smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000086783906 949065804 /nfs/dbraw/zinc/06/58/04/949065804.db2.gz KHVNPKWQOJXPRD-MAUKXSAKSA-N 0 1 289.419 3.585 20 0 CHADMN C[C@@H]1CCC[C@H](C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])C1 ZINC000089627941 949112515 /nfs/dbraw/zinc/11/25/15/949112515.db2.gz IMSMNNKZHRKCDA-QLFBSQMISA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000162551351 949393057 /nfs/dbraw/zinc/39/30/57/949393057.db2.gz OWDTVLVUZVAYNP-OAHLLOKOSA-N 0 1 299.773 3.556 20 0 CHADMN Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226455609 949585366 /nfs/dbraw/zinc/58/53/66/949585366.db2.gz UNVYUVQTGOHBQI-GJZGRUSLSA-N 0 1 275.392 3.633 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2cc(C)oc2C)s1 ZINC000044730007 1125457038 /nfs/dbraw/zinc/45/70/38/1125457038.db2.gz ATHBWZFFQRGOPE-JTQLQIEISA-N 0 1 264.394 3.766 20 0 CHADMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1nc(C(C)(C)C)no1)C1CC1 ZINC000104966302 1125457069 /nfs/dbraw/zinc/45/70/69/1125457069.db2.gz DJGDPNBRUFKRBN-NWDGAFQWSA-N 0 1 279.428 3.766 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1nc(C(C)(C)C)no1)C1CC1 ZINC000104966302 1125457073 /nfs/dbraw/zinc/45/70/73/1125457073.db2.gz DJGDPNBRUFKRBN-NWDGAFQWSA-N 0 1 279.428 3.766 20 0 CHADMN CCn1cc(CN(CC2CCC2)[C@@H](C)c2ccccc2)nn1 ZINC000884002823 1125457078 /nfs/dbraw/zinc/45/70/78/1125457078.db2.gz DTEMZXJCYRVVQU-HNNXBMFYSA-N 0 1 298.434 3.661 20 0 CHADMN CC[N@@H+](C[C@H](C)CSc1ccccc1C)[C@@H](C)C(=O)[O-] ZINC001589719371 950401883 /nfs/dbraw/zinc/40/18/83/950401883.db2.gz FFMQSZLEGVFDFX-JSGCOSHPSA-N 0 1 295.448 3.518 20 0 CHADMN CC[N@@H+](CCC1(C(=O)[O-])CCC1)[C@H]1CCCC[C@H]1C ZINC001589730695 950504229 /nfs/dbraw/zinc/50/42/29/950504229.db2.gz QFPJZSAKFULHJV-KGLIPLIRSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@H](N[C@@H]1C[C@@H]1C(F)F)c1cc(F)ccc1F ZINC000348272346 1125459187 /nfs/dbraw/zinc/45/91/87/1125459187.db2.gz JXTONOUVRLWHFR-ZMLRMANQSA-N 0 1 261.262 3.659 20 0 CHADMN CC[N@@H+](Cc1cccc(C(=O)[O-])c1Cl)CC(C)(C)C ZINC000381782913 971777294 /nfs/dbraw/zinc/77/72/94/971777294.db2.gz ZQLXEIVRBKWBKX-UHFFFAOYSA-N 0 1 283.799 3.906 20 0 CHADMN CC[C@H]1CCCN(Cc2nccn2Cc2ccccc2)C1 ZINC000127121083 1125460087 /nfs/dbraw/zinc/46/00/87/1125460087.db2.gz ANHJDWOJJKUGGH-INIZCTEOSA-N 0 1 283.419 3.553 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000383589834 971878053 /nfs/dbraw/zinc/87/80/53/971878053.db2.gz RLWPWGIDLINYQW-NSHDSACASA-N 0 1 289.400 3.948 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589279622 953484354 /nfs/dbraw/zinc/48/43/54/953484354.db2.gz PBUYPPGFHURAFV-MXWKQRLJSA-N 0 1 299.773 3.583 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000629360821 953822311 /nfs/dbraw/zinc/82/23/11/953822311.db2.gz WEJDUCZQNBGVKR-KBPBESRZSA-N 0 1 255.402 3.532 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](C2CC2)C2CCCCC2)cc1 ZINC000653361962 954176645 /nfs/dbraw/zinc/17/66/45/954176645.db2.gz QJEXHOOJGLTMCH-UHFFFAOYSA-N 0 1 273.376 3.682 20 0 CHADMN O=C(Nc1ccc2ccccc2c1)c1cccc2cn[nH]c21 ZINC000029509127 1125462286 /nfs/dbraw/zinc/46/22/86/1125462286.db2.gz OMWUEZKBAPZQAO-UHFFFAOYSA-N 0 1 287.322 3.968 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](Cc2ccc(C(C)C)cc2)C1 ZINC001589444879 954748094 /nfs/dbraw/zinc/74/80/94/954748094.db2.gz HFDVFVXCUVLJAO-WBVHZDCISA-N 0 1 289.419 3.538 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000614829764 1125464162 /nfs/dbraw/zinc/46/41/62/1125464162.db2.gz ZCSOYVHEJNYJTF-DJLDLDEBSA-N 0 1 283.730 3.559 20 0 CHADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1C1c2ccccc2-c2ccccc21 ZINC000387904693 972148084 /nfs/dbraw/zinc/14/80/84/972148084.db2.gz VKCPBFAVUWQQSI-OLZOCXBDSA-N 0 1 293.366 3.551 20 0 CHADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CCCc1cccc2ccccc21 ZINC001589186962 956564726 /nfs/dbraw/zinc/56/47/26/956564726.db2.gz KPWBRXMPDJBRCX-IBGZPJMESA-N 0 1 297.398 3.712 20 0 CHADMN CCc1ccc2ccccc2c1C[N@H+](CC)[C@@H](C)C(=O)[O-] ZINC000903407929 956833074 /nfs/dbraw/zinc/83/30/74/956833074.db2.gz BFFLXONQSFFIMI-ZDUSSCGKSA-N 0 1 285.387 3.697 20 0 CHADMN CC(C)C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000903673674 956853883 /nfs/dbraw/zinc/85/38/83/956853883.db2.gz CXMKECKFEVNHBC-GFCCVEGCSA-N 0 1 281.421 3.704 20 0 CHADMN Cc1ccccc1[C@H](C)[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC000903697132 956887016 /nfs/dbraw/zinc/88/70/16/956887016.db2.gz RPUFGFMRMXNSFY-AWEZNQCLSA-N 0 1 275.392 3.633 20 0 CHADMN C[C@@H]1CCC[C@@H](C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000089627222 958075570 /nfs/dbraw/zinc/07/55/70/958075570.db2.gz JIBNXUSSQZCOBZ-UKRRQHHQSA-N 0 1 275.392 3.643 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nnc(-c2ccc(C)cc2)o1 ZINC000046502129 1125467784 /nfs/dbraw/zinc/46/77/84/1125467784.db2.gz XEIMRYKNUAKZLQ-OAHLLOKOSA-N 0 1 285.391 3.810 20 0 CHADMN C[C@]12C[C@H]1CCC[C@H]2NCc1ncc(-c2ccccc2)cn1 ZINC000282883202 1125468351 /nfs/dbraw/zinc/46/83/51/1125468351.db2.gz VVHNKJLDTAVRSN-LMMKCTJWSA-N 0 1 293.414 3.812 20 0 CHADMN O=C([O-])[C@@H]1C[N@@H+](CCC2CCCCC2)Cc2ccccc21 ZINC000127459684 958613382 /nfs/dbraw/zinc/61/33/82/958613382.db2.gz GBZMQWXASQRJAR-QGZVFWFLSA-N 0 1 287.403 3.641 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000132296459 958780733 /nfs/dbraw/zinc/78/07/33/958780733.db2.gz SDKXGTZDWMJJOJ-GFCCVEGCSA-N 0 1 297.345 3.701 20 0 CHADMN C[C@@H](C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000135048395 958881450 /nfs/dbraw/zinc/88/14/50/958881450.db2.gz IYEOJMMBPZTRAY-HOCLYGCPSA-N 0 1 289.419 3.613 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000155973723 959044266 /nfs/dbraw/zinc/04/42/66/959044266.db2.gz BEXYEBHNUOGPQW-GXFFZTMASA-N 0 1 281.421 3.765 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000156919292 959055449 /nfs/dbraw/zinc/05/54/49/959055449.db2.gz FWFKXHPAVKTUIS-CYBMUJFWSA-N 0 1 275.392 3.917 20 0 CHADMN C[N@@H+](CCCCC(=O)[O-])Cc1ccc2ccccc2c1 ZINC000163683890 959242401 /nfs/dbraw/zinc/24/24/01/959242401.db2.gz VTXMSOMAELSOJO-UHFFFAOYSA-N 0 1 271.360 3.527 20 0 CHADMN COCCC[C@@H](NCc1ccoc1)c1ccc(F)cc1 ZINC000282045949 1125470627 /nfs/dbraw/zinc/47/06/27/1125470627.db2.gz VAHRRGTZQDADHD-MRXNPFEDSA-N 0 1 277.339 3.676 20 0 CHADMN Cc1c(Cl)ccc(C[N@@H+](C)CCCC(=O)[O-])c1Cl ZINC001594263136 959719039 /nfs/dbraw/zinc/71/90/39/959719039.db2.gz XDRHORNDTPXTPX-UHFFFAOYSA-N 0 1 290.190 3.598 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000223490071 959836332 /nfs/dbraw/zinc/83/63/32/959836332.db2.gz JXOQCKABDACCRK-HZPDHXFCSA-N 0 1 289.419 3.961 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226398594 959877959 /nfs/dbraw/zinc/87/79/59/959877959.db2.gz LPOKXFAUXPAJSM-UKRRQHHQSA-N 0 1 283.371 3.697 20 0 CHADMN CCCC[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)[O-] ZINC000232422375 960265680 /nfs/dbraw/zinc/26/56/80/960265680.db2.gz INQKLLVDHVAVLV-MRXNPFEDSA-N 0 1 290.407 3.732 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1ccc(F)c(F)c1F ZINC001137941505 1131440296 /nfs/dbraw/zinc/44/02/96/1131440296.db2.gz UCWBOPYHAWBADA-LBPRGKRZSA-N 0 1 257.299 3.724 20 0 CHADMN Cc1cc2c(c(C)c1)[C@H](N[C@H](CO)c1ccsc1)CC2 ZINC000655757182 1125473086 /nfs/dbraw/zinc/47/30/86/1125473086.db2.gz PEHCOOSSLCFZOY-HZPDHXFCSA-N 0 1 287.428 3.675 20 0 CHADMN CC(C)OCc1ccccc1CN[C@@H](C)c1ccccn1 ZINC000536585357 1125474791 /nfs/dbraw/zinc/47/47/91/1125474791.db2.gz XLJPVUNFCWONOX-HNNXBMFYSA-N 0 1 284.403 3.857 20 0 CHADMN Oc1cc(F)c(-c2ccc3sccc3n2)cc1F ZINC001206756288 1117762749 /nfs/dbraw/zinc/76/27/49/1117762749.db2.gz ZSIVIMRPPFSCGL-UHFFFAOYSA-N 0 1 263.268 3.947 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2c(C)cccc2Cl)C1 ZINC001573821951 960963551 /nfs/dbraw/zinc/96/35/51/960963551.db2.gz ACSQKSFPYMUKAO-INIZCTEOSA-N 0 1 295.810 3.725 20 0 CHADMN C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)CC1(C)C ZINC001326509647 961103276 /nfs/dbraw/zinc/10/32/76/961103276.db2.gz HDTRHLUKZKATRI-BXUZGUMPSA-N 0 1 295.810 3.834 20 0 CHADMN C[C@H]1CCCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001326553328 961110957 /nfs/dbraw/zinc/11/09/57/961110957.db2.gz RBGLLSZSLZBXKP-SMDDNHRTSA-N 0 1 281.783 3.588 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001327324365 961154309 /nfs/dbraw/zinc/15/43/09/961154309.db2.gz WLPCYMOKVBKTKT-SMDDNHRTSA-N 0 1 281.783 3.588 20 0 CHADMN C[C@@H](CC[N@H+]1CCCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000251248582 961245394 /nfs/dbraw/zinc/24/53/94/961245394.db2.gz UEZWROQMVBCXRP-HOCLYGCPSA-N 0 1 275.392 3.509 20 0 CHADMN CC[C@H]1CCCC[C@@H]1C[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001331925370 961413301 /nfs/dbraw/zinc/41/33/01/961413301.db2.gz SNCAEZXGOOPLED-UONOGXRCSA-N 0 1 293.407 3.934 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001331925371 961413998 /nfs/dbraw/zinc/41/39/98/961413998.db2.gz SNCAEZXGOOPLED-ZIAGYGMSSA-N 0 1 293.407 3.934 20 0 CHADMN C[N@@H+](Cc1ccc(-c2ccccc2)o1)C(C)(C)CC(=O)[O-] ZINC001333137603 961655262 /nfs/dbraw/zinc/65/52/62/961655262.db2.gz VRROZRGXFDENGQ-UHFFFAOYSA-N 0 1 287.359 3.632 20 0 CHADMN Cc1oncc1CN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000129924518 1125479438 /nfs/dbraw/zinc/47/94/38/1125479438.db2.gz WYBQWKKGTHRFMN-CYBMUJFWSA-N 0 1 293.370 3.896 20 0 CHADMN Cn1cccc1C(=O)CN(Cc1ccccc1)C(C)(C)C ZINC000130484487 1125481513 /nfs/dbraw/zinc/48/15/13/1125481513.db2.gz NJULLHRSPNCKOO-UHFFFAOYSA-N 0 1 284.403 3.509 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1ccccc1Oc1ccccc1 ZINC001349603851 962477481 /nfs/dbraw/zinc/47/74/81/962477481.db2.gz UZMTXGCRJVNKFX-UHFFFAOYSA-N 0 1 299.370 3.776 20 0 CHADMN CCC(F)(F)CN[C@H](C)C1CCC(F)(F)CC1 ZINC000624148704 1117990340 /nfs/dbraw/zinc/99/03/40/1117990340.db2.gz LQQVAXLVXBZCLJ-SECBINFHSA-N 0 1 255.299 3.835 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccccc1)CO2 ZINC000130728324 1125484553 /nfs/dbraw/zinc/48/45/53/1125484553.db2.gz JKFQZGZEPRZDRA-CZUORRHYSA-N 0 1 253.345 3.779 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)[C@@H]1C=CCCCCC1 ZINC000312236500 963546638 /nfs/dbraw/zinc/54/66/38/963546638.db2.gz NHIRZQAEAGOBRX-MRXNPFEDSA-N 0 1 273.376 3.706 20 0 CHADMN C[C@@H](c1ccccc1F)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000315954744 963958260 /nfs/dbraw/zinc/95/82/60/963958260.db2.gz IRVBPAJBZPEXKH-BLLLJJGKSA-N 0 1 299.345 3.571 20 0 CHADMN CCCCc1nc(CN[C@@H](CC)[C@@H]2CCCO2)cs1 ZINC000182272639 1118017874 /nfs/dbraw/zinc/01/78/74/1118017874.db2.gz FKVNDWOIGSIZFG-KBPBESRZSA-N 0 1 282.453 3.533 20 0 CHADMN CC(C)c1cnc(C[N@@H+](C)C(C2CC2)C2CC2)s1 ZINC000183025674 1118035945 /nfs/dbraw/zinc/03/59/45/1118035945.db2.gz XRONKWVMBJTNSG-UHFFFAOYSA-N 0 1 264.438 3.887 20 0 CHADMN CSC[C@@H]1CCCN1Cc1ncc(C(C)C)s1 ZINC000183107566 1118038450 /nfs/dbraw/zinc/03/84/50/1118038450.db2.gz HYNOEWSOAFCFLP-NSHDSACASA-N 0 1 270.467 3.594 20 0 CHADMN COc1cc(F)c(CN2C[C@H]3CCC[C@@H]3C2)cc1Cl ZINC001238789646 1118083282 /nfs/dbraw/zinc/08/32/82/1118083282.db2.gz ZTVYTTOXCXSBRJ-GHMZBOCLSA-N 0 1 283.774 3.720 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394531100 968216108 /nfs/dbraw/zinc/21/61/08/968216108.db2.gz KCEWBEVWMWTBBV-HNNXBMFYSA-N 0 1 267.413 3.534 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCCc1cccc2ccccc21 ZINC000650501957 968600907 /nfs/dbraw/zinc/60/09/07/968600907.db2.gz AXCLSXUKYBPHPD-RDTXWAMCSA-N 0 1 297.398 3.710 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C2CCCC2)cc1 ZINC000650806179 968607268 /nfs/dbraw/zinc/60/72/68/968607268.db2.gz SNGXBTFTLMGEFV-INIZCTEOSA-N 0 1 275.392 3.639 20 0 CHADMN O=C([O-])C[N@H+](Cc1c(Cl)oc2ccccc21)C1CCC1 ZINC000656101483 968717381 /nfs/dbraw/zinc/71/73/81/968717381.db2.gz MXXUOCWIDBDZHB-UHFFFAOYSA-N 0 1 293.750 3.525 20 0 CHADMN O=C([O-])C[N@@H+](Cc1c(Cl)oc2ccccc21)C1CCC1 ZINC000656101483 968717387 /nfs/dbraw/zinc/71/73/87/968717387.db2.gz MXXUOCWIDBDZHB-UHFFFAOYSA-N 0 1 293.750 3.525 20 0 CHADMN C[C@@H]1CCC[C@@H](CC[N@@H+](CC(=O)[O-])CC(C)(C)C)C1 ZINC000662223197 968756467 /nfs/dbraw/zinc/75/64/67/968756467.db2.gz NLDPAWOWWIFRNE-KGLIPLIRSA-N 0 1 269.429 3.636 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1C[C@H]1CC2CCC1CC2 ZINC000691670590 968909802 /nfs/dbraw/zinc/90/98/02/968909802.db2.gz DGENFLQRHFVTOO-QDIHITRGSA-N 0 1 279.424 3.532 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@H](C)CC(C)(C)C)C1 ZINC000709274405 969038916 /nfs/dbraw/zinc/03/89/16/969038916.db2.gz BMKDIHLVEXGDER-CZUORRHYSA-N 0 1 269.429 3.636 20 0 CHADMN C[C@@H](c1ccc(F)cc1)[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000317348694 970350528 /nfs/dbraw/zinc/35/05/28/970350528.db2.gz ADARMQKOBSIWMW-LBPRGKRZSA-N 0 1 299.345 3.643 20 0 CHADMN CC(C)C[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000396855124 972945428 /nfs/dbraw/zinc/94/54/28/972945428.db2.gz WYMUSFWSBGXJPD-AWEZNQCLSA-N 0 1 279.355 3.534 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CCC[C@@H]1CC(C)C ZINC000396948507 972953950 /nfs/dbraw/zinc/95/39/50/972953950.db2.gz MGQRMOADZPMNMX-CYBMUJFWSA-N 0 1 281.421 3.765 20 0 CHADMN CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC001603619766 973917627 /nfs/dbraw/zinc/91/76/27/973917627.db2.gz JWCRMVJVMPJNEU-KBPBESRZSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@@H](C)[N@@H+](CC[C@H]1C[C@H](C)C[C@H](C)C1)CC(=O)[O-] ZINC000442796209 974120312 /nfs/dbraw/zinc/12/03/12/974120312.db2.gz VMKMBDDNJVWHMA-BARDWOONSA-N 0 1 269.429 3.634 20 0 CHADMN CC[N@@H+](Cc1ccc(C(C)(C)CC)cc1)[C@@H](C)C(=O)[O-] ZINC001603747623 974191990 /nfs/dbraw/zinc/19/19/90/974191990.db2.gz ZOXARZZTGIUFJZ-ZDUSSCGKSA-N 0 1 277.408 3.669 20 0 CHADMN CC1(C)CC(C[N@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)C1 ZINC000530167480 974360263 /nfs/dbraw/zinc/36/02/63/974360263.db2.gz ZPUNVPYZRBSVFO-HOTGVXAUSA-N 0 1 287.403 3.713 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000565662693 974585711 /nfs/dbraw/zinc/58/57/11/974585711.db2.gz JBGXCRBWCFQKOZ-STQMWFEESA-N 0 1 279.380 3.859 20 0 CHADMN CCC(C)(C)c1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000565838821 974589576 /nfs/dbraw/zinc/58/95/76/974589576.db2.gz RWQCABFVHCASLN-XJKSGUPXSA-N 0 1 289.419 3.669 20 0 CHADMN CC[C@@]1(C)CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C)C1 ZINC000566358830 974607541 /nfs/dbraw/zinc/60/75/41/974607541.db2.gz MNDKDJABHDDNSC-WBVHZDCISA-N 0 1 275.392 3.633 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000570169226 974706078 /nfs/dbraw/zinc/70/60/78/974706078.db2.gz PVQOQFZAHLQGKQ-LBPRGKRZSA-N 0 1 281.783 3.803 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000570574950 974714761 /nfs/dbraw/zinc/71/47/61/974714761.db2.gz CHVVMTDNWCVEEY-QKCSRTOESA-N 0 1 293.432 3.908 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1csc(C(=O)[O-])c1)c1ccccc1 ZINC000570808184 974718330 /nfs/dbraw/zinc/71/83/30/974718330.db2.gz FKPUDCROAFVNGZ-GFCCVEGCSA-N 0 1 289.400 3.682 20 0 CHADMN CCC[N@@H+](CC)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000571931486 974738908 /nfs/dbraw/zinc/73/89/08/974738908.db2.gz UVQMDYDGKKFSMU-LBPRGKRZSA-N 0 1 290.190 3.851 20 0 CHADMN CCC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C)C1 ZINC000572127748 974741936 /nfs/dbraw/zinc/74/19/36/974741936.db2.gz RJEPXDZQOONBQS-GDBMZVCRSA-N 0 1 275.392 3.633 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCCC2(C1)CCCCCC2 ZINC000578199467 974850678 /nfs/dbraw/zinc/85/06/78/974850678.db2.gz IPXFYOVYGWTFFK-HNNXBMFYSA-N 0 1 281.440 3.922 20 0 CHADMN C[C@H]1CC(CC[N@@H+](CC(=O)[O-])C2CCCC2)C[C@H](C)C1 ZINC000579861944 974884300 /nfs/dbraw/zinc/88/43/00/974884300.db2.gz ZOTOKFIVYGRZNP-ZIAGYGMSSA-N 0 1 281.440 3.778 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCCCC(=O)[O-])o1 ZINC000580319230 974891639 /nfs/dbraw/zinc/89/16/39/974891639.db2.gz BCPSUIXOZYHOAT-JSGCOSHPSA-N 0 1 279.380 3.616 20 0 CHADMN CS[C@H]1CCCC[N@H+]([C@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000593744298 974987040 /nfs/dbraw/zinc/98/70/40/974987040.db2.gz PDJFYPNSQPQZIE-NEPJUHHUSA-N 0 1 297.420 3.565 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@H+]1CCCCc1cccc(Cl)c1 ZINC000622001923 975064261 /nfs/dbraw/zinc/06/42/61/975064261.db2.gz OFKRPMVQENIUHF-HNNXBMFYSA-N 0 1 295.810 3.602 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000629361016 975082882 /nfs/dbraw/zinc/08/28/82/975082882.db2.gz BHDFBWAYIZDFPP-ZDUSSCGKSA-N 0 1 275.392 3.917 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000629376231 975089552 /nfs/dbraw/zinc/08/95/52/975089552.db2.gz SGKBYEWAUMXCDR-YWVDXFKGSA-N 0 1 291.366 3.702 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000634697572 975275536 /nfs/dbraw/zinc/27/55/36/975275536.db2.gz MLPRPUPTOBKJHK-HUUCEWRRSA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])[C@H](c1ccsc1)[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000634697959 975276233 /nfs/dbraw/zinc/27/62/33/975276233.db2.gz WTAFIAZOKXPRED-ZFWWWQNUSA-N 0 1 293.432 3.776 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H]2c2ccccc2)oc1C(=O)[O-] ZINC000652383579 975516684 /nfs/dbraw/zinc/51/66/84/975516684.db2.gz AAMYUVVOJYAEGR-OAHLLOKOSA-N 0 1 285.343 3.623 20 0 CHADMN O=C([O-])c1cc(C[N@@H+](C2CC2)C2CCCCC2)cs1 ZINC000652401018 975522591 /nfs/dbraw/zinc/52/25/91/975522591.db2.gz FPCGDSLLKSMBHJ-UHFFFAOYSA-N 0 1 279.405 3.743 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccsc2)CC1 ZINC000652415537 975527057 /nfs/dbraw/zinc/52/70/57/975527057.db2.gz YZRLZTDGWFDPLR-OCCSQVGLSA-N 0 1 281.421 3.632 20 0 CHADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CCCc2ccsc2)C1 ZINC000652498806 975561410 /nfs/dbraw/zinc/56/14/10/975561410.db2.gz UIHODRBEEJFFHZ-CQSZACIVSA-N 0 1 295.448 3.504 20 0 CHADMN CC[C@H](C)[N@@H+](CC)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000656757605 975683981 /nfs/dbraw/zinc/68/39/81/975683981.db2.gz VXKOHKVAPYYFRK-NSHDSACASA-N 0 1 299.798 3.537 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCCC[C@H]2CC2CCC2)c1 ZINC000659804435 975894720 /nfs/dbraw/zinc/89/47/20/975894720.db2.gz ZSGBFZCRAQRKBL-AWEZNQCLSA-N 0 1 277.364 3.523 20 0 CHADMN CC(C)(C)c1cccc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])c1 ZINC000662212535 975898761 /nfs/dbraw/zinc/89/87/61/975898761.db2.gz CPAVQVQGYPUSAH-INIZCTEOSA-N 0 1 289.419 3.813 20 0 CHADMN CC1(C)CCCC[C@H]1C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000662211032 975898786 /nfs/dbraw/zinc/89/87/86/975898786.db2.gz LQBXEEUDVXQXEA-CABCVRRESA-N 0 1 281.440 3.780 20 0 CHADMN CC(C)c1cccc(C[N@@H+](CC(=O)[O-])C2CCCC2)c1 ZINC000663316254 975942541 /nfs/dbraw/zinc/94/25/41/975942541.db2.gz CZEOZWODAYHPCI-UHFFFAOYSA-N 0 1 275.392 3.639 20 0 CHADMN CC12CC(C1)C[N@H+]2Cc1c2ccccc2sc1C(=O)[O-] ZINC000663314865 975942690 /nfs/dbraw/zinc/94/26/90/975942690.db2.gz BJXXSQDIFYSZSK-UHFFFAOYSA-N 0 1 287.384 3.584 20 0 CHADMN CCC[C@H]1CCC[N@@H+](Cc2ccc(C)c(C(=O)[O-])c2)C1 ZINC000708415334 977426787 /nfs/dbraw/zinc/42/67/87/977426787.db2.gz WUYOYFXOKFNYQP-AWEZNQCLSA-N 0 1 275.392 3.705 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)cc1C(=O)[O-] ZINC000708556266 977436814 /nfs/dbraw/zinc/43/68/14/977436814.db2.gz QNKLHAAKNSJFSO-GFCCVEGCSA-N 0 1 279.380 3.544 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1)CC(C)(C)C ZINC000709116841 977453525 /nfs/dbraw/zinc/45/35/25/977453525.db2.gz HNFIIVAWBCJTET-CYBMUJFWSA-N 0 1 277.408 3.889 20 0 CHADMN C[C@H](c1nc(C(=O)[O-])co1)[N@H+](C)C[C@@H](C)C1CCCCC1 ZINC001592578838 978486479 /nfs/dbraw/zinc/48/64/79/978486479.db2.gz HUULCRRNNCSHCD-VXGBXAGGSA-N 0 1 294.395 3.582 20 0 CHADMN C[N@@H+](Cc1ccoc1C(=O)[O-])C1CCCCCCC1 ZINC000846243570 979419873 /nfs/dbraw/zinc/41/98/73/979419873.db2.gz MJPZSUUHPNQOBN-UHFFFAOYSA-N 0 1 265.353 3.523 20 0 CHADMN C/C(=C/C[N@H+]1CCCCC[C@H]1c1cccc(C)c1)C(=O)[O-] ZINC000846249437 979424561 /nfs/dbraw/zinc/42/45/61/979424561.db2.gz OVRSKWODCPHLCR-MJSCBBHESA-N 0 1 287.403 3.943 20 0 CHADMN CC[C@@H]1C[N@@H+](C/C=C(\C)C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000846257341 979428148 /nfs/dbraw/zinc/42/81/48/979428148.db2.gz OTTDFVLTHHFUSM-VYBRZGLESA-N 0 1 287.403 3.533 20 0 CHADMN CCC(CC)[N@@H+](CC)Cc1ccc(C(=O)[O-])cc1F ZINC001595114363 979464149 /nfs/dbraw/zinc/46/41/49/979464149.db2.gz GFGWZDMWGCCZRI-UHFFFAOYSA-N 0 1 267.344 3.534 20 0 CHADMN O=C([O-])[C@]12C[N@@H+](Cc3ccccc3C3CC3)C[C@H]1CCCC2 ZINC000851708679 979578824 /nfs/dbraw/zinc/57/88/24/979578824.db2.gz KSRWYOCPYRDDCF-VQIMIIECSA-N 0 1 299.414 3.641 20 0 CHADMN C[N@@H+](CCCc1ccccc1)Cc1cc(C(=O)[O-])cs1 ZINC000872156837 980039285 /nfs/dbraw/zinc/03/92/85/980039285.db2.gz GPMCTXUTQJWFGC-UHFFFAOYSA-N 0 1 289.400 3.511 20 0 CHADMN CCSCC[C@H](C)[N@@H+](C)Cc1ccc(C)c(C(=O)[O-])c1 ZINC000872158527 980041912 /nfs/dbraw/zinc/04/19/12/980041912.db2.gz DZCUTHNJERJMOH-ZDUSSCGKSA-N 0 1 295.448 3.657 20 0 CHADMN C[C@@H](C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1)CC(C)(C)C ZINC000872160635 980046825 /nfs/dbraw/zinc/04/68/25/980046825.db2.gz KBLUQVSICCYHMZ-CYBMUJFWSA-N 0 1 289.419 3.815 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@H+]2CCC[C@H]2CC(=O)[O-])c1 ZINC000872161043 980048712 /nfs/dbraw/zinc/04/87/12/980048712.db2.gz QZRIPMLCFDYXLF-INIZCTEOSA-N 0 1 297.398 3.896 20 0 CHADMN COc1cnccc1Nc1cc(Cl)c(Cl)cc1F ZINC001211264107 1118493501 /nfs/dbraw/zinc/49/35/01/1118493501.db2.gz WAPVEBRBVAEZNK-UHFFFAOYSA-N 0 1 287.121 3.702 20 0 CHADMN CC(C)c1nsc(CN2[C@H](C)C[C@H]3CCCC[C@H]32)n1 ZINC001167433796 1118502317 /nfs/dbraw/zinc/50/23/17/1118502317.db2.gz MCHGRINHIARYAR-JHJVBQTASA-N 0 1 279.453 3.815 20 0 CHADMN C[C@H](CSc1nc(C2CC2)n[nH]1)C1CCCCC1 ZINC000580779742 1118503168 /nfs/dbraw/zinc/50/31/68/1118503168.db2.gz SEHVKUKZYSEQOC-SNVBAGLBSA-N 0 1 265.426 3.991 20 0 CHADMN C[C@H](CSc1n[nH]c(C2CC2)n1)C1CCCCC1 ZINC000580779742 1118503171 /nfs/dbraw/zinc/50/31/71/1118503171.db2.gz SEHVKUKZYSEQOC-SNVBAGLBSA-N 0 1 265.426 3.991 20 0 CHADMN CC[C@H]([NH2+][C@@H]1CCCC1(F)F)c1ccc(C(=O)[O-])cc1 ZINC001595284131 980353455 /nfs/dbraw/zinc/35/34/55/980353455.db2.gz PNXLJKGBISKBIN-QWHCGFSZSA-N 0 1 283.318 3.613 20 0 CHADMN CC[C@H]([NH2+][C@H]1CCCC1(F)F)c1ccc(C(=O)[O-])cc1 ZINC001595284132 980353618 /nfs/dbraw/zinc/35/36/18/980353618.db2.gz PNXLJKGBISKBIN-STQMWFEESA-N 0 1 283.318 3.613 20 0 CHADMN CC[C@@H](C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000901646829 980424340 /nfs/dbraw/zinc/42/43/40/980424340.db2.gz VNISIHSLPBMHFY-AWEZNQCLSA-N 0 1 295.382 3.894 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@@H+](CC(=O)[O-])C(C)C ZINC000901975885 980657031 /nfs/dbraw/zinc/65/70/31/980657031.db2.gz GUYIIUOUGUMJTB-CQSZACIVSA-N 0 1 255.402 3.554 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000902006788 980683956 /nfs/dbraw/zinc/68/39/56/980683956.db2.gz GOTIMPZYDWMGLG-ZFWWWQNUSA-N 0 1 267.413 3.532 20 0 CHADMN CC1(C)CCC[C@H](C[N@@H+](CC(=O)[O-])C2CCCC2)C1 ZINC000902039118 980709435 /nfs/dbraw/zinc/70/94/35/980709435.db2.gz YUVCDEYEGXOSRH-ZDUSSCGKSA-N 0 1 267.413 3.532 20 0 CHADMN C[N@H+](Cc1ccnc2c(C(=O)[O-])cccc12)CC1CCCC1 ZINC000902198754 980779114 /nfs/dbraw/zinc/77/91/14/980779114.db2.gz ZOLUPGAMCJPARU-UHFFFAOYSA-N 0 1 298.386 3.555 20 0 CHADMN CCc1oc(C[N@H+]2CCC3(C2)CCCCC3)cc1C(=O)[O-] ZINC000902321979 980831563 /nfs/dbraw/zinc/83/15/63/980831563.db2.gz GEPWPOXWSPNPEU-UHFFFAOYSA-N 0 1 291.391 3.696 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)oc1C(=O)[O-] ZINC000902326807 980834341 /nfs/dbraw/zinc/83/43/41/980834341.db2.gz SAWVVOPPCWCLAU-HNNXBMFYSA-N 0 1 299.370 3.584 20 0 CHADMN CC1=CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC000902450263 980892853 /nfs/dbraw/zinc/89/28/53/980892853.db2.gz IZOBNVUMGDLGEX-UHFFFAOYSA-N 0 1 299.292 3.556 20 0 CHADMN CCc1oc(C[N@@H+](C2CC2)C2CCCCC2)cc1C(=O)[O-] ZINC000902515363 980916753 /nfs/dbraw/zinc/91/67/53/980916753.db2.gz VHUKTFIMPXGXKX-UHFFFAOYSA-N 0 1 291.391 3.837 20 0 CHADMN CC1(C)CC[N@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000902525420 980921970 /nfs/dbraw/zinc/92/19/70/980921970.db2.gz ULACTNGJVNKIDT-UHFFFAOYSA-N 0 1 285.343 3.629 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3ccoc3C(=O)[O-])C2)cc1 ZINC000902545748 980928391 /nfs/dbraw/zinc/92/83/91/980928391.db2.gz KWVFBYWDKSWLFL-CJNGLKHVSA-N 0 1 299.370 3.664 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](CC)Cc1cccc(Cl)c1 ZINC000903596667 980979865 /nfs/dbraw/zinc/97/98/65/980979865.db2.gz XEWJGWVMNWMSSX-FZMZJTMJSA-N 0 1 283.799 3.661 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000903597413 980980787 /nfs/dbraw/zinc/98/07/87/980980787.db2.gz ZOCIXRNTSGLAFV-LJISPDSOSA-N 0 1 281.440 3.634 20 0 CHADMN CCC[N@@H+](Cc1ccccc1F)[C@@H](C(=O)[O-])[C@@H](C)CC ZINC000903600723 980983005 /nfs/dbraw/zinc/98/30/05/980983005.db2.gz DAIIEHWDNUILQV-SWLSCSKDSA-N 0 1 281.371 3.537 20 0 CHADMN CCc1ccc([C@@H]2CC[N@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C2)cc1 ZINC000903608169 980989337 /nfs/dbraw/zinc/98/93/37/980989337.db2.gz GQEOSJQMQZNHSX-IAOVAPTHSA-N 0 1 289.419 3.538 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CCCC(C)(F)F)CC(=O)[O-] ZINC000903608473 980990099 /nfs/dbraw/zinc/99/00/99/980990099.db2.gz IXAWQWUDEHNWQG-AWEZNQCLSA-N 0 1 299.361 3.960 20 0 CHADMN C[C@@H]1C[C@H](C)CC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000903630761 981006059 /nfs/dbraw/zinc/00/60/59/981006059.db2.gz CORZXSKWWYNGKI-JMSVASOKSA-N 0 1 295.810 3.834 20 0 CHADMN CC1(C)[C@@H](c2ccc(Cl)cc2)CC[N@H+]1CCCC(=O)[O-] ZINC000903630901 981006737 /nfs/dbraw/zinc/00/67/37/981006737.db2.gz IIFJRMZAYIAAMG-CQSZACIVSA-N 0 1 295.810 3.773 20 0 CHADMN C[N@@H+](CCC1=CCCCC1)[C@H](C(=O)[O-])c1ccccc1 ZINC000905370165 981093106 /nfs/dbraw/zinc/09/31/06/981093106.db2.gz RZKIJDOYROPQJA-INIZCTEOSA-N 0 1 273.376 3.635 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1C[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001595447648 981096089 /nfs/dbraw/zinc/09/60/89/981096089.db2.gz IELBAIZVUPUOFM-RRFJBIMHSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@@H]1CC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)[C@@H]1C ZINC001595464846 981152528 /nfs/dbraw/zinc/15/25/28/981152528.db2.gz YGTKFVVWCZYYSX-CHWSQXEVSA-N 0 1 298.386 3.553 20 0 CHADMN CO[C@H](C/N=C/c1cc(Cl)cc(Cl)c1O)C(C)C ZINC000075078325 1118629796 /nfs/dbraw/zinc/62/97/96/1118629796.db2.gz OFZFKXWMFFEVDR-VOMFFSSUSA-N 0 1 290.190 3.789 20 0 CHADMN CCC[C@@H](C)CCC[N@@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC001595571733 981481199 /nfs/dbraw/zinc/48/11/99/981481199.db2.gz VIZQWFVMUHIAHR-CYBMUJFWSA-N 0 1 267.413 3.675 20 0 CHADMN CCC[C@H]([NH2+][C@H](C)c1cc(C(=O)[O-])co1)c1ccccn1 ZINC001595601140 981586913 /nfs/dbraw/zinc/58/69/13/981586913.db2.gz VDCCXRVTHRASMD-RISCZKNCSA-N 0 1 288.347 3.565 20 0 CHADMN CCCC1CCC([N@@H+](C)Cc2cc(C)c(C(=O)[O-])[nH]2)CC1 ZINC001595620753 981693107 /nfs/dbraw/zinc/69/31/07/981693107.db2.gz SEDYGNIOBXHIGI-UHFFFAOYSA-N 0 1 292.423 3.812 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)CC1 ZINC000079054328 1118683048 /nfs/dbraw/zinc/68/30/48/1118683048.db2.gz DZNJIIVDENITOA-GFCCVEGCSA-N 0 1 252.789 3.747 20 0 CHADMN CCC[N@@H+](Cc1ccoc1C(=O)[O-])Cc1ccc(F)cc1 ZINC001595889068 982920398 /nfs/dbraw/zinc/92/03/98/982920398.db2.gz XTOUOOILEPQGKC-UHFFFAOYSA-N 0 1 291.322 3.529 20 0 CHADMN CC[N@@H+](Cc1ccc(/C=C\C(=O)[O-])o1)Cc1ccc(C)cc1 ZINC001596360008 983838144 /nfs/dbraw/zinc/83/81/44/983838144.db2.gz XVOWXYNRNOKJMM-KHPPLWFESA-N 0 1 299.370 3.708 20 0 CHADMN CC[N@H+](Cc1ccccc1F)C[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001596371829 983873546 /nfs/dbraw/zinc/87/35/46/983873546.db2.gz OOVXDCUVMFUAGR-DZGCQCFKSA-N 0 1 293.382 3.539 20 0 CHADMN Clc1sccc1CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342822242 1119195068 /nfs/dbraw/zinc/19/50/68/1119195068.db2.gz KLQBGZVFKNHUPS-NEPJUHHUSA-N 0 1 271.813 3.545 20 0 CHADMN C[C@H]([NH2+]Cc1ccc(C(=O)[O-])o1)c1ccc(F)cc1Cl ZINC001599901855 984849243 /nfs/dbraw/zinc/84/92/43/984849243.db2.gz ZDNJJYOMJXWRES-QMMMGPOBSA-N 0 1 297.713 3.621 20 0 CHADMN C[C@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)CC(C)(C)C1 ZINC001594501510 985688857 /nfs/dbraw/zinc/68/88/57/985688857.db2.gz OZIZPJKRJBHDKO-BXUZGUMPSA-N 0 1 295.810 3.834 20 0 CHADMN CC[C@H](C)NCc1csc(COc2ccccc2)n1 ZINC000113312346 1125494281 /nfs/dbraw/zinc/49/42/81/1125494281.db2.gz QOIFCGUIJFTIIX-LBPRGKRZSA-N 0 1 276.405 3.610 20 0 CHADMN C[C@H](N[C@H]1CCCn2nccc21)c1ccc(Cl)s1 ZINC000657829014 1119479162 /nfs/dbraw/zinc/47/91/62/1119479162.db2.gz XLNSZXNYIRCRQJ-UWVGGRQHSA-N 0 1 281.812 3.784 20 0 CHADMN Cc1cnccc1CN[C@H](C)c1ccccc1Cl ZINC000229657430 1125495549 /nfs/dbraw/zinc/49/55/49/1125495549.db2.gz DGZOGHRIKRESEP-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1nc(C)c(CNC(C)(C)c2ccc(Cl)cc2)o1 ZINC000685567876 1119631928 /nfs/dbraw/zinc/63/19/28/1119631928.db2.gz JRQHXPPDRFZWCV-UHFFFAOYSA-N 0 1 278.783 3.970 20 0 CHADMN C[C@@H]1c2sccc2CC[N@@H+]1C[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001594672754 986988985 /nfs/dbraw/zinc/98/89/85/986988985.db2.gz AFRNZGWOKLDOHY-BNOWGMLFSA-N 0 1 293.432 3.558 20 0 CHADMN CC(C)(C)C1=CC[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC001589726163 987905806 /nfs/dbraw/zinc/90/58/06/987905806.db2.gz AQYHCIZPSFLZRT-VOTSOKGWSA-N 0 1 289.375 3.556 20 0 CHADMN CC(C)(C)[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC001589732828 987968638 /nfs/dbraw/zinc/96/86/38/987968638.db2.gz YYPJAFAAEQRTBU-OCCSQVGLSA-N 0 1 295.810 3.834 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccsc2)C1 ZINC001589733185 987973823 /nfs/dbraw/zinc/97/38/23/987973823.db2.gz XOPZGDNNDCSPRM-STQMWFEESA-N 0 1 281.421 3.632 20 0 CHADMN CCC(CC)[N@@H+](C)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237987085 1129236912 /nfs/dbraw/zinc/23/69/12/1129236912.db2.gz AEMIVBHIVQYSOY-UHFFFAOYSA-N 0 1 259.752 3.805 20 0 CHADMN CC(C)(C)[N@@H+](Cc1ccsc1)Cc1ccoc1C(=O)[O-] ZINC001589796524 988195159 /nfs/dbraw/zinc/19/51/59/988195159.db2.gz SDJKAGZMJKXSME-UHFFFAOYSA-N 0 1 293.388 3.840 20 0 CHADMN Cc1nn(C)c(CN[C@@H](c2cccs2)C2CC2)c1Cl ZINC000892488903 1119778077 /nfs/dbraw/zinc/77/80/77/1119778077.db2.gz ZKXPUFDYAWFMDW-CQSZACIVSA-N 0 1 295.839 3.684 20 0 CHADMN CCc1cccc2cc(C[NH2+]Cc3cc(C(=O)[O-])co3)oc21 ZINC001597603452 988466768 /nfs/dbraw/zinc/46/67/68/988466768.db2.gz CNXZXEMZRBNMOZ-UHFFFAOYSA-N 0 1 299.326 3.576 20 0 CHADMN Cc1ccoc1CN(C)[C@@H]1CCc2ccc(F)cc21 ZINC000429361097 1125504100 /nfs/dbraw/zinc/50/41/00/1125504100.db2.gz JLXJIHAUVVJXKJ-OAHLLOKOSA-N 0 1 259.324 3.846 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC001597762281 989193119 /nfs/dbraw/zinc/19/31/19/989193119.db2.gz ATHPTOLEUIYUKC-ZDUSSCGKSA-N 0 1 293.407 3.798 20 0 CHADMN CC(C)CCC[C@H](C)NCc1nccc(C(F)(F)F)n1 ZINC000414254470 1119957783 /nfs/dbraw/zinc/95/77/83/1119957783.db2.gz MIJOKKXTDZUWRN-NSHDSACASA-N 0 1 289.345 3.800 20 0 CHADMN CCc1oc(C[N@H+]2CCc3ccccc3[C@H]2C)cc1C(=O)[O-] ZINC001597798608 989369529 /nfs/dbraw/zinc/36/95/29/989369529.db2.gz DGLBEOXZXKPQDL-GFCCVEGCSA-N 0 1 299.370 3.660 20 0 CHADMN C[C@@H]1c2ccccc2C[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC001599883512 989517746 /nfs/dbraw/zinc/51/77/46/989517746.db2.gz QNGNPZLZHFVNBR-SNVBAGLBSA-N 0 1 273.357 3.523 20 0 CHADMN C[C@@H]1c2ccccc2C[N@@H+]1Cc1csc(C(=O)[O-])c1 ZINC001599883512 989517754 /nfs/dbraw/zinc/51/77/54/989517754.db2.gz QNGNPZLZHFVNBR-SNVBAGLBSA-N 0 1 273.357 3.523 20 0 CHADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1ccc(C2CCCC2)cc1 ZINC001599884608 989534497 /nfs/dbraw/zinc/53/44/97/989534497.db2.gz UOZXYSCETOTOLC-SFHVURJKSA-N 0 1 287.403 3.783 20 0 CHADMN CSc1cccc(CN(C)Cc2ccc(C)o2)c1 ZINC000659827191 1120121842 /nfs/dbraw/zinc/12/18/42/1120121842.db2.gz NRHKNLFTOVEXLJ-UHFFFAOYSA-N 0 1 261.390 3.942 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(Cl)cc2)C1 ZINC001591087464 991608669 /nfs/dbraw/zinc/60/86/69/991608669.db2.gz MWRHOJPGEGDZHP-ZFWWWQNUSA-N 0 1 295.810 3.834 20 0 CHADMN C[N@@H+](CCCc1ccc(Cl)cc1)C1(C(=O)[O-])CCCC1 ZINC001598484829 992191422 /nfs/dbraw/zinc/19/14/22/992191422.db2.gz ICAKNCVAGVMDTD-UHFFFAOYSA-N 0 1 295.810 3.602 20 0 CHADMN CC(C)C[N@@H+]([C@@H](C)c1ncc(C(=O)[O-])s1)C1CCCC1 ZINC001591289743 992234068 /nfs/dbraw/zinc/23/40/68/992234068.db2.gz KOJUJYYBTRZFCJ-NSHDSACASA-N 0 1 296.436 3.803 20 0 CHADMN CC(C)C[N@@H+](C[C@@H]1CCCC[C@H]1C(=O)[O-])C1CCCC1 ZINC001591322293 992293585 /nfs/dbraw/zinc/29/35/85/992293585.db2.gz WHENQZSJXQVQAM-GOEBONIOSA-N 0 1 281.440 3.778 20 0 CHADMN C[N@@H+](Cc1cc(C(=O)[O-])co1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001598507922 992532059 /nfs/dbraw/zinc/53/20/59/992532059.db2.gz XAUUWJAYKTXADT-IRXDYDNUSA-N 0 1 299.370 3.746 20 0 CHADMN CC(C)[N@@H+](Cc1occc1C(=O)[O-])Cc1cccc(F)c1 ZINC001591600880 992833787 /nfs/dbraw/zinc/83/37/87/992833787.db2.gz YVERMXOGOBCVPG-UHFFFAOYSA-N 0 1 291.322 3.528 20 0 CHADMN CC(C)CCN(C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000077211881 1120320138 /nfs/dbraw/zinc/32/01/38/1120320138.db2.gz LBAXUFSVOSIVAT-NSHDSACASA-N 0 1 279.409 3.837 20 0 CHADMN Fc1ccc(SCCN2CC[C@H](C(F)F)C2)c(F)c1 ZINC000660147166 1120398836 /nfs/dbraw/zinc/39/88/36/1120398836.db2.gz MUYOIKPWCLZFKZ-VIFPVBQESA-N 0 1 293.329 3.644 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(-c2ccc(Cl)o2)no1 ZINC000843224030 1120402891 /nfs/dbraw/zinc/40/28/91/1120402891.db2.gz ZJLHGSZBZCQDOO-QMMMGPOBSA-N 0 1 283.759 3.680 20 0 CHADMN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1cc(C(=O)[O-])co1 ZINC001593353298 994977422 /nfs/dbraw/zinc/97/74/22/994977422.db2.gz SQMKVVNEWGNRPZ-DTWKUNHWSA-N 0 1 295.285 3.668 20 0 CHADMN FC1(F)C[C@@]12CCN(Cc1cnc(C3CCC3)s1)C2 ZINC000652063795 1120576184 /nfs/dbraw/zinc/57/61/84/1120576184.db2.gz VQNNVFITMXOGMK-CYBMUJFWSA-N 0 1 284.375 3.642 20 0 CHADMN CCCc1nc(C)c(CN2CC[C@H](C(F)(F)F)[C@@H]2C)o1 ZINC000428959717 1120588022 /nfs/dbraw/zinc/58/80/22/1120588022.db2.gz YPDCCKBKIVZWQL-QWRGUYRKSA-N 0 1 290.329 3.708 20 0 CHADMN CC1(C)CCCC[C@@H]1C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC001593904567 996782719 /nfs/dbraw/zinc/78/27/19/996782719.db2.gz GXIUTNKAUOMNPJ-CYBMUJFWSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC001594293169 999131045 /nfs/dbraw/zinc/13/10/45/999131045.db2.gz QGVAFWYYLILKST-RHYQMDGZSA-N 0 1 294.420 3.555 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN(C)CCC(C)(C)C)c1 ZINC000674794603 1121180712 /nfs/dbraw/zinc/18/07/12/1121180712.db2.gz NMDPAPPRTBHSQJ-UHFFFAOYSA-N 0 1 276.424 3.610 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000094837864 1121231308 /nfs/dbraw/zinc/23/13/08/1121231308.db2.gz KKVHXWWEWHQCRJ-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN CS[C@H]1CCCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000611464542 1121648781 /nfs/dbraw/zinc/64/87/81/1121648781.db2.gz RMONDGFPSUKGSI-LBPRGKRZSA-N 0 1 296.505 3.739 20 0 CHADMN CC(C)(C)c1coc(CN(CC2CC2)C2CCC2)n1 ZINC000894186349 1121727599 /nfs/dbraw/zinc/72/75/99/1121727599.db2.gz ATHYHEAOTMELHC-UHFFFAOYSA-N 0 1 262.397 3.737 20 0 CHADMN C[C@H](NCc1cncn1C)c1cc(Cl)cc(Cl)c1 ZINC000289893044 1121772734 /nfs/dbraw/zinc/77/27/34/1121772734.db2.gz SSCFWEOUDUWPFN-VIFPVBQESA-N 0 1 284.190 3.578 20 0 CHADMN CC(C)c1ncc(CNC(=O)C(C)(C)CC(C)(C)C)[nH]1 ZINC001179096587 1121848878 /nfs/dbraw/zinc/84/88/78/1121848878.db2.gz YIPFANYRJMGAEY-UHFFFAOYSA-N 0 1 279.428 3.612 20 0 CHADMN CCN(Cc1n[nH]c(C)c1C)Cc1ccc(Cl)cc1 ZINC001179913733 1121929319 /nfs/dbraw/zinc/92/93/19/1121929319.db2.gz GNMGWDFFWTWSEJ-UHFFFAOYSA-N 0 1 277.799 3.702 20 0 CHADMN CC[C@@]1(C)CN(C[C@H](C)c2cccc(Cl)c2)CCO1 ZINC001180933968 1122023269 /nfs/dbraw/zinc/02/32/69/1122023269.db2.gz DZQQMUOCTNJWME-BBRMVZONSA-N 0 1 281.827 3.944 20 0 CHADMN CC[C@H]1CCCC[C@@H]1CN(C)Cc1csnc1OC ZINC001183991915 1122251588 /nfs/dbraw/zinc/25/15/88/1122251588.db2.gz OSUZHHSVSXGDNJ-QWHCGFSZSA-N 0 1 282.453 3.800 20 0 CHADMN C[C@H]1CC[C@@H](CO)CN1Cc1c(Cl)cccc1Cl ZINC000135776271 1122451462 /nfs/dbraw/zinc/45/14/62/1122451462.db2.gz USHCIGFMUMLKGU-WDEREUQCSA-N 0 1 288.218 3.586 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2ccnc(Cl)c2F)C1 ZINC000824153075 1131456999 /nfs/dbraw/zinc/45/69/99/1131456999.db2.gz AMRUKXMMNPIKEQ-LLVKDONJSA-N 0 1 270.779 3.742 20 0 CHADMN COc1ncc(CN[C@H](C)c2cc(C)cc(C)c2)s1 ZINC000638532088 1122719131 /nfs/dbraw/zinc/71/91/31/1122719131.db2.gz KRFGLCCHALWXHM-GFCCVEGCSA-N 0 1 276.405 3.619 20 0 CHADMN CCCCc1nc(CN2CC[C@@H]3CCC[C@H]32)cs1 ZINC000426467191 1122801093 /nfs/dbraw/zinc/80/10/93/1122801093.db2.gz BLLDRCFKWRDWTG-GXTWGEPZSA-N 0 1 264.438 3.860 20 0 CHADMN Cc1cc(F)ccc1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000506767375 1122826746 /nfs/dbraw/zinc/82/67/46/1122826746.db2.gz MYVODMMISQMMNJ-UHFFFAOYSA-N 0 1 261.315 3.905 20 0 CHADMN Fc1cccc(/C=C/CN2CCC(F)(F)CC2)c1 ZINC000894628769 1122883327 /nfs/dbraw/zinc/88/33/27/1122883327.db2.gz HOHLFDDKVJQLSW-DUXPYHPUSA-N 0 1 255.283 3.570 20 0 CHADMN COC(=O)[C@@]1(NC[C@H]2CCCC[C@@H]2C)CC[C@@H](C)CC1 ZINC001195970385 1122898383 /nfs/dbraw/zinc/89/83/83/1122898383.db2.gz MCNDHNSMRKNOHJ-MPTYRVRUSA-N 0 1 281.440 3.524 20 0 CHADMN C[C@H]1CCN(Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000507180489 1122935101 /nfs/dbraw/zinc/93/51/01/1122935101.db2.gz LNGRJRJKTMOCOF-VIFPVBQESA-N 0 1 275.726 3.783 20 0 CHADMN CCCN(CC=C(C)C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000507380272 1122950447 /nfs/dbraw/zinc/95/04/47/1122950447.db2.gz PHWMEMWDYKMNIY-HNNXBMFYSA-N 0 1 274.408 3.692 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)c1sccc1F ZINC000334354733 1122994205 /nfs/dbraw/zinc/99/42/05/1122994205.db2.gz ABVSUXNKYDYWAM-UHFFFAOYSA-N 0 1 289.690 3.638 20 0 CHADMN Clc1ccc2nsnc2c1NC1=CCSCC1 ZINC001201340912 1123089853 /nfs/dbraw/zinc/08/98/53/1123089853.db2.gz KXKCDAMUHNRKGZ-UHFFFAOYSA-N 0 1 283.809 3.777 20 0 CHADMN CCC(CC)CN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001201534473 1123115618 /nfs/dbraw/zinc/11/56/18/1123115618.db2.gz JLODOYSUQJRKNA-GFCCVEGCSA-N 0 1 275.318 3.779 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000330620147 1123122276 /nfs/dbraw/zinc/12/22/76/1123122276.db2.gz JCYJFEGIKDRSLR-PSASIEDQSA-N 0 1 285.338 3.811 20 0 CHADMN CSCCCN1CCC[C@@H]1c1c(F)cccc1F ZINC001201696224 1123136838 /nfs/dbraw/zinc/13/68/38/1123136838.db2.gz IQYZKJWZUIHSCP-CYBMUJFWSA-N 0 1 271.376 3.855 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001201977618 1123159935 /nfs/dbraw/zinc/15/99/35/1123159935.db2.gz UOHWETRIPKZRHA-PMPSAXMXSA-N 0 1 289.410 3.503 20 0 CHADMN C[C@@H]1Cc2cc(Br)ccc2CN1CC1CC1 ZINC001201952268 1123162158 /nfs/dbraw/zinc/16/21/58/1123162158.db2.gz IOCYRTISTGHYCP-SNVBAGLBSA-N 0 1 280.209 3.606 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)[C@@H]1CO ZINC000441716312 1123206731 /nfs/dbraw/zinc/20/67/31/1123206731.db2.gz OIOCRNBVPWHQLE-QMTHXVAHSA-N 0 1 288.218 3.586 20 0 CHADMN CC[C@H]1CCC[C@@H]1CNCc1nc(C(C)(C)C)co1 ZINC001202456056 1123209463 /nfs/dbraw/zinc/20/94/63/1123209463.db2.gz INVRAIVXCHKSBP-QWHCGFSZSA-N 0 1 264.413 3.888 20 0 CHADMN CC[C@@H](C)N(CC)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000852291025 1123401613 /nfs/dbraw/zinc/40/16/13/1123401613.db2.gz OYJVXNLZJZESGG-MRVPVSSYSA-N 0 1 297.752 3.713 20 0 CHADMN FC(F)(F)c1nc(CNC[C@@H]2CC[C@@H]3C[C@@H]3C2)cs1 ZINC000895560134 1123492004 /nfs/dbraw/zinc/49/20/04/1123492004.db2.gz FWSZINZNYWTUQW-BBBLOLIVSA-N 0 1 290.354 3.688 20 0 CHADMN CCCc1ccc(CN[C@@H](C)c2ccns2)cc1 ZINC000858317405 1123644418 /nfs/dbraw/zinc/64/44/18/1123644418.db2.gz NEGOZEZPCRPMMO-LBPRGKRZSA-N 0 1 260.406 3.946 20 0 CHADMN CSCC1CCN(Cc2cccc(O)c2Cl)CC1 ZINC000896941017 1123790693 /nfs/dbraw/zinc/79/06/93/1123790693.db2.gz PFNQFYVFRIFCSH-UHFFFAOYSA-N 0 1 285.840 3.621 20 0 CHADMN Cc1csc(CN(C)[C@H](C)Cc2cccc(F)c2)n1 ZINC000445260718 1124079535 /nfs/dbraw/zinc/07/95/35/1124079535.db2.gz MTKPVATWGGJHBT-GFCCVEGCSA-N 0 1 278.396 3.654 20 0 CHADMN Cc1ccccc1[C@H](C)[N@H+]1CCc2ncsc2C1 ZINC000445878858 1124104956 /nfs/dbraw/zinc/10/49/56/1124104956.db2.gz WSWODFGAYSHOSC-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN Cc1ccccc1[C@H](C)N1CCc2ncsc2C1 ZINC000445878858 1124104958 /nfs/dbraw/zinc/10/49/58/1124104958.db2.gz WSWODFGAYSHOSC-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN CCS[C@@H](C)c1noc(CN(CC2CCC2)C(C)C)n1 ZINC000193200157 1124124720 /nfs/dbraw/zinc/12/47/20/1124124720.db2.gz BRHNZMYWJJJKLT-LBPRGKRZSA-N 0 1 297.468 3.894 20 0 CHADMN CCS[C@H](C)c1noc(CN(CC2CCC2)C(C)C)n1 ZINC000193200168 1124124755 /nfs/dbraw/zinc/12/47/55/1124124755.db2.gz BRHNZMYWJJJKLT-GFCCVEGCSA-N 0 1 297.468 3.894 20 0 CHADMN CC(C)(C)c1cnc(CN[C@@H]2CC(C)(C)OC2(C)C)s1 ZINC000447897878 1124543373 /nfs/dbraw/zinc/54/33/73/1124543373.db2.gz PQUOLQMVLBUNOF-LLVKDONJSA-N 0 1 296.480 3.876 20 0 CHADMN C/C(Cl)=C/CN1CCC(c2ncc(C)s2)CC1 ZINC000528475001 1124674821 /nfs/dbraw/zinc/67/48/21/1124674821.db2.gz JRQUEJKAPHWDMB-KMKOMSMNSA-N 0 1 270.829 3.774 20 0 CHADMN CC[C@H](N[C@H](C)c1nc(C(C)(C)C)no1)C1CCCC1 ZINC000449279760 1124683385 /nfs/dbraw/zinc/68/33/85/1124683385.db2.gz SRUYYJWNYANWDJ-YPMHNXCESA-N 0 1 279.428 3.987 20 0 CHADMN COc1cccc(Cl)c1CN1CC[C@@H](OC)C(C)(C)C1 ZINC000449497951 1124773967 /nfs/dbraw/zinc/77/39/67/1124773967.db2.gz JGRRLRQGRIMHEH-OAHLLOKOSA-N 0 1 297.826 3.596 20 0 CHADMN C[C@H](CN1CCC(F)(F)CC1)c1cc(F)cc(F)c1 ZINC000824320403 1131463774 /nfs/dbraw/zinc/46/37/74/1131463774.db2.gz HALVZCJCPKVVHC-SNVBAGLBSA-N 0 1 275.289 3.799 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@@H](C)[C@H]2C)c1F ZINC001138118694 1131468810 /nfs/dbraw/zinc/46/88/10/1131468810.db2.gz PTZWHIVJVGXSFZ-ZYHUDNBSSA-N 0 1 253.336 3.894 20 0 CHADMN OCCC[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000449792380 1124875328 /nfs/dbraw/zinc/87/53/28/1124875328.db2.gz SVQCXDWUYHWJAA-NSHDSACASA-N 0 1 288.218 3.588 20 0 CHADMN Cc1cnc(CN2CC3(CCCC3)[C@@H]2C(C)C)s1 ZINC000449790939 1124876060 /nfs/dbraw/zinc/87/60/60/1124876060.db2.gz MVJBLPVCMFKLJW-AWEZNQCLSA-N 0 1 264.438 3.852 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1Cc1nnc(C2CC2)s1 ZINC000450431379 1125021748 /nfs/dbraw/zinc/02/17/48/1125021748.db2.gz YVMJHDXWYKNUGA-AAEUAGOBSA-N 0 1 279.453 3.816 20 0 CHADMN CSC[C@@H]1CCCN(Cc2cc(C(F)(F)F)co2)C1 ZINC000878646752 1125169293 /nfs/dbraw/zinc/16/92/93/1125169293.db2.gz HKQLRWQWALFECI-SNVBAGLBSA-N 0 1 293.354 3.873 20 0 CHADMN Cc1ccc(CN2CCSC3(CCC3)CC2)nc1Cl ZINC000878708350 1125174067 /nfs/dbraw/zinc/17/40/67/1125174067.db2.gz OXDHNSMWWCPEAO-UHFFFAOYSA-N 0 1 296.867 3.905 20 0 CHADMN CCN(Cc1c(F)cccc1Cl)[C@@H]1CCO[C@@H](C)C1 ZINC001168139569 1125224464 /nfs/dbraw/zinc/22/44/64/1125224464.db2.gz UDIRHHUXJKBVSW-NWDGAFQWSA-N 0 1 285.790 3.869 20 0 CHADMN Cc1csc(CN2CC[C@@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001137152223 1125267146 /nfs/dbraw/zinc/26/71/46/1125267146.db2.gz KMLRYHZVHMPJOA-GFCCVEGCSA-N 0 1 297.420 3.583 20 0 CHADMN CCc1nc([C@H](C)N[C@H](CC)c2sccc2Cl)n[nH]1 ZINC000883208188 1125377899 /nfs/dbraw/zinc/37/78/99/1125377899.db2.gz AQEKWKBRANOXDN-WCBMZHEXSA-N 0 1 298.843 3.884 20 0 CHADMN Cc1sccc1CNCc1ccc(C)nc1Cl ZINC000883292897 1125392116 /nfs/dbraw/zinc/39/21/16/1125392116.db2.gz CNXGUXLMQLUZDT-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1nnc(C(C)C)o1 ZINC000123630664 1125431695 /nfs/dbraw/zinc/43/16/95/1125431695.db2.gz WTXICMOPQWWJPL-ZDUSSCGKSA-N 0 1 265.401 3.594 20 0 CHADMN CC(C)C[C@@H]1CCCCN1Cc1nnc(C(C)C)o1 ZINC000123630664 1125431697 /nfs/dbraw/zinc/43/16/97/1125431697.db2.gz WTXICMOPQWWJPL-ZDUSSCGKSA-N 0 1 265.401 3.594 20 0 CHADMN Cc1cnc(CN2C[C@H](C)C[C@@H](C)C2)cc1Br ZINC001143663477 1131521678 /nfs/dbraw/zinc/52/16/78/1131521678.db2.gz XLKKKZXEDDTZFI-GHMZBOCLSA-N 0 1 297.240 3.630 20 0 CHADMN CC[C@H]1CCCN1Cc1cc(Br)c(C)cn1 ZINC001143660944 1131522456 /nfs/dbraw/zinc/52/24/56/1131522456.db2.gz KZRPERAWBGAZNJ-LBPRGKRZSA-N 0 1 283.213 3.527 20 0 CHADMN COc1c(F)cc(CN2C[C@H](C)CC23CC3)cc1Cl ZINC001143853504 1131542377 /nfs/dbraw/zinc/54/23/77/1131542377.db2.gz HFPZFNFKLZOWEX-SNVBAGLBSA-N 0 1 283.774 3.862 20 0 CHADMN C[C@H]1C[N@H+](Cc2cc(F)c([O-])cc2F)CCC[C@@H]1C ZINC001144647317 1131673761 /nfs/dbraw/zinc/67/37/61/1131673761.db2.gz DKCNQYQWQIBQAV-QWRGUYRKSA-N 0 1 269.335 3.538 20 0 CHADMN C[C@@H]1CN(Cc2cc(Cl)sc2Cl)C[C@H](C)N1C ZINC001140588669 1131813329 /nfs/dbraw/zinc/81/33/29/1131813329.db2.gz GTNPGMMNSUCIQX-DTORHVGOSA-N 0 1 293.263 3.579 20 0 CHADMN CCC[C@H](CC(C)C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000835480060 1131847224 /nfs/dbraw/zinc/84/72/24/1131847224.db2.gz VKDQFZBQNDVJCW-GFCCVEGCSA-N 0 1 295.427 3.608 20 0 CHADMN CCC[C@H](CC(C)C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000835480060 1131847229 /nfs/dbraw/zinc/84/72/29/1131847229.db2.gz VKDQFZBQNDVJCW-GFCCVEGCSA-N 0 1 295.427 3.608 20 0 CHADMN Oc1cc(Cl)cc(CN2CCC23CCCC3)c1 ZINC001140787242 1131917733 /nfs/dbraw/zinc/91/77/33/1131917733.db2.gz CELIMWILWGZPOC-UHFFFAOYSA-N 0 1 251.757 3.564 20 0 CHADMN COc1cc(F)c(CN2CCCCC[C@H]2C)c(F)c1 ZINC001140826682 1131938862 /nfs/dbraw/zinc/93/88/62/1131938862.db2.gz NEXOMFOIOYUITQ-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN COc1cc(F)c(CN2CCCCC[C@@H]2C)c(F)c1 ZINC001140826683 1131939035 /nfs/dbraw/zinc/93/90/35/1131939035.db2.gz NEXOMFOIOYUITQ-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)c(F)c1)c1ccns1 ZINC000716012672 1132008012 /nfs/dbraw/zinc/00/80/12/1132008012.db2.gz DATJISCFUMVYJU-RKDXNWHRSA-N 0 1 268.332 3.833 20 0 CHADMN CC[C@@H](C(=O)OC(C)(C)C)N(C)CCC(C)(C)C1CC1 ZINC001171670868 1132074740 /nfs/dbraw/zinc/07/47/40/1132074740.db2.gz MWIFJZGCONEJQC-AWEZNQCLSA-N 0 1 283.456 3.865 20 0 CHADMN CN(C)Cc1cc(F)ccc1OC1CCCCCC1 ZINC001229854434 1132125912 /nfs/dbraw/zinc/12/59/12/1132125912.db2.gz NOSOXAGQGSPSEX-UHFFFAOYSA-N 0 1 265.372 3.989 20 0 CHADMN COc1cc(F)ccc1C[N@H+]1CCC2(CCCC2)C1 ZINC001231604389 1132326843 /nfs/dbraw/zinc/32/68/43/1132326843.db2.gz ZXQBFHORWSJDBV-UHFFFAOYSA-N 0 1 263.356 3.600 20 0 CHADMN COC[C@@H]1CCN(Cc2ccc(C)c(Cl)c2Cl)C1 ZINC001231660473 1132338997 /nfs/dbraw/zinc/33/89/97/1132338997.db2.gz IHYUDJPIUIUQJQ-LLVKDONJSA-N 0 1 288.218 3.770 20 0 CHADMN CC(C)C[N@@H+](C)Cc1c(SC(C)C)nc2sccn12 ZINC001231774330 1132358324 /nfs/dbraw/zinc/35/83/24/1132358324.db2.gz QASHOLZMSHASTD-UHFFFAOYSA-N 0 1 297.493 3.984 20 0 CHADMN CC(C)CN(C)Cc1c(SC(C)C)nc2sccn12 ZINC001231774330 1132358332 /nfs/dbraw/zinc/35/83/32/1132358332.db2.gz QASHOLZMSHASTD-UHFFFAOYSA-N 0 1 297.493 3.984 20 0 CHADMN CN(Cc1ccc(N)nc1)Cc1cc(Cl)cc(Cl)c1 ZINC001232370429 1132460674 /nfs/dbraw/zinc/46/06/74/1132460674.db2.gz FRXUSTOAYBJDDH-UHFFFAOYSA-N 0 1 296.201 3.603 20 0 CHADMN CCCCCN(C)Cc1ccc(OCC)c(F)c1F ZINC001143268027 1132526366 /nfs/dbraw/zinc/52/63/66/1132526366.db2.gz XEYGHTRPYYYCRC-UHFFFAOYSA-N 0 1 271.351 3.986 20 0 CHADMN Oc1cc(Br)cc(CN2CCC3(CCC3)C2)c1 ZINC001232999401 1132559500 /nfs/dbraw/zinc/55/95/00/1132559500.db2.gz QKKWXQPYBOMLGD-UHFFFAOYSA-N 0 1 296.208 3.531 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1cc(O)cc(Br)c1 ZINC001232998103 1132561123 /nfs/dbraw/zinc/56/11/23/1132561123.db2.gz HFGBFRKGIQMDLB-WDEREUQCSA-N 0 1 298.224 3.775 20 0 CHADMN C[C@@]1(O)CCCCN(Cc2csc(C(F)(F)F)c2)C1 ZINC001233174515 1132578111 /nfs/dbraw/zinc/57/81/11/1132578111.db2.gz OJADUHYNRYMVQA-GFCCVEGCSA-N 0 1 293.354 3.504 20 0 CHADMN [S-]c1ccc(C[N@@H+]2CCC[C@H]2c2nccs2)cc1 ZINC001233261713 1132590509 /nfs/dbraw/zinc/59/05/09/1132590509.db2.gz ALPGAXYJGJCOSF-ZDUSSCGKSA-N 0 1 276.430 3.769 20 0 CHADMN [S-]c1ccc(C[N@H+]2CCC[C@H]2c2nccs2)cc1 ZINC001233261713 1132590512 /nfs/dbraw/zinc/59/05/12/1132590512.db2.gz ALPGAXYJGJCOSF-ZDUSSCGKSA-N 0 1 276.430 3.769 20 0 CHADMN CC1CCN(Cc2ccn(C(=O)OC(C)(C)C)c2)CC1 ZINC001233429656 1132620484 /nfs/dbraw/zinc/62/04/84/1132620484.db2.gz IVDAESCSSVFTIP-UHFFFAOYSA-N 0 1 278.396 3.503 20 0 CHADMN CCCCCC[C@@H](CC)C(=O)N1CCN(CC)C[C@@H]1C ZINC001157547513 1132734208 /nfs/dbraw/zinc/73/42/08/1132734208.db2.gz ASILGNDWMIJFCP-JKSUJKDBSA-N 0 1 282.472 3.536 20 0 CHADMN Fc1ccc(CN2CCC[C@@H](F)CC2)c(Cl)c1 ZINC001204435263 1133447832 /nfs/dbraw/zinc/44/78/32/1133447832.db2.gz VWRCDFMTQKAQEE-LLVKDONJSA-N 0 1 259.727 3.803 20 0 CHADMN CCO[C@@H]1C[C@@H](NCC(F)(F)C(C)(C)C)C12CCCC2 ZINC001206763144 1133744122 /nfs/dbraw/zinc/74/41/22/1133744122.db2.gz VJTBWFVVIMNHPT-CHWSQXEVSA-N 0 1 289.410 3.995 20 0 CHADMN OCc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC001210927576 1134328782 /nfs/dbraw/zinc/32/87/82/1134328782.db2.gz NRBGQNUOLAQWSR-UHFFFAOYSA-N 0 1 284.142 3.935 20 0 CHADMN Cc1ncc(Nc2ccc(Cl)c(O)c2F)s1 ZINC001214796064 1134572882 /nfs/dbraw/zinc/57/28/82/1134572882.db2.gz GBNXTLNUHXKBJU-UHFFFAOYSA-N 0 1 258.705 3.693 20 0 CHADMN Cc1noc(C)c1Nc1ccc(Cl)c(O)c1F ZINC001214793755 1134573268 /nfs/dbraw/zinc/57/32/68/1134573268.db2.gz KFERRWOTHCIMPS-UHFFFAOYSA-N 0 1 256.664 3.533 20 0 CHADMN Oc1c(Cl)ccc(Nc2c(F)cnc(F)c2F)c1F ZINC001214793377 1134573391 /nfs/dbraw/zinc/57/33/91/1134573391.db2.gz BOTXCTXAWDQROF-UHFFFAOYSA-N 0 1 292.619 3.741 20 0 CHADMN COc1ccc(C)nc1Nc1ccc(Cl)c(O)c1F ZINC001214796348 1134573737 /nfs/dbraw/zinc/57/37/37/1134573737.db2.gz PVJCNQCODSEMAX-UHFFFAOYSA-N 0 1 282.702 3.640 20 0 CHADMN Cc1ccnc(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214791585 1134574046 /nfs/dbraw/zinc/57/40/46/1134574046.db2.gz YUCYSBPJBUGKHR-UHFFFAOYSA-N 0 1 252.676 3.632 20 0 CHADMN CCOc1ccncc1Nc1ccc(Cl)c(O)c1F ZINC001214793632 1134574166 /nfs/dbraw/zinc/57/41/66/1134574166.db2.gz HYBIABMJRMEJGJ-UHFFFAOYSA-N 0 1 282.702 3.722 20 0 CHADMN Cc1nc(Cl)cc(Nc2ccc(Cl)c(O)c2F)n1 ZINC001214791130 1134574342 /nfs/dbraw/zinc/57/43/42/1134574342.db2.gz MNTHETGKIHKMDO-UHFFFAOYSA-N 0 1 288.109 3.680 20 0 CHADMN COc1ccc(Nc2ccc(Cl)c(O)c2F)c(O)c1 ZINC001214801944 1134575786 /nfs/dbraw/zinc/57/57/86/1134575786.db2.gz UWEGVNFNCLIYAQ-UHFFFAOYSA-N 0 1 283.686 3.643 20 0 CHADMN CCc1ccc([C@H]2C[C@H](C)CCN2Cc2ccnc(N)c2)o1 ZINC000331935912 1125510131 /nfs/dbraw/zinc/51/01/31/1125510131.db2.gz QKQOPZDEOYTYFD-CZUORRHYSA-N 0 1 299.418 3.623 20 0 CHADMN CCn1ccnc1CN1CCC[C@H]1c1cc(C)ccc1C ZINC000133652859 1125512787 /nfs/dbraw/zinc/51/27/87/1125512787.db2.gz MQCDVMUOTKWTDJ-KRWDZBQOSA-N 0 1 283.419 3.857 20 0 CHADMN CCCCc1nc2ccc(NC(=O)Cc3ccoc3)cc2[nH]1 ZINC000133823232 1125513969 /nfs/dbraw/zinc/51/39/69/1125513969.db2.gz RRXFEZUERZYRSB-UHFFFAOYSA-N 0 1 297.358 3.680 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCCC[C@H](SC)C2)n1 ZINC000134604431 1125518320 /nfs/dbraw/zinc/51/83/20/1125518320.db2.gz IUVKXYGQNMDFGL-OLZOCXBDSA-N 0 1 297.468 3.691 20 0 CHADMN CCCN(Cc1nccs1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000135096361 1125521531 /nfs/dbraw/zinc/52/15/31/1125521531.db2.gz OHXBZDGIGMGHLN-OLZOCXBDSA-N 0 1 282.453 3.559 20 0 CHADMN c1csc(CN2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000135034373 1125521606 /nfs/dbraw/zinc/52/16/06/1125521606.db2.gz VMSFALQEVFQDLD-OAHLLOKOSA-N 0 1 272.417 3.913 20 0 CHADMN CCc1nnc(CN2CCC[C@@H]2CCC2CCCCC2)o1 ZINC000135298890 1125523075 /nfs/dbraw/zinc/52/30/75/1125523075.db2.gz YHLLFXDTBNYZNA-OAHLLOKOSA-N 0 1 291.439 3.957 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1Cc1nccn1C(F)F ZINC000135328646 1125523403 /nfs/dbraw/zinc/52/34/03/1125523403.db2.gz WBDYJHOQABAELO-NEPJUHHUSA-N 0 1 271.355 3.679 20 0 CHADMN c1cc(CN2CCC[C@@H]2CCCc2ccccc2)no1 ZINC000135361987 1125526087 /nfs/dbraw/zinc/52/60/87/1125526087.db2.gz DUFCFYXADLYQOD-KRWDZBQOSA-N 0 1 270.376 3.662 20 0 CHADMN CCN(Cc1cccs1)Cc1ccccc1OC ZINC000061785387 1125545665 /nfs/dbraw/zinc/54/56/65/1125545665.db2.gz IBEFPNGZYGINOU-UHFFFAOYSA-N 0 1 261.390 3.779 20 0 CHADMN COC(=O)c1sccc1CN1CCC[C@H]2CCCC[C@H]21 ZINC000393221206 1125552458 /nfs/dbraw/zinc/55/24/58/1125552458.db2.gz URISATJZPYNNSE-TZMCWYRMSA-N 0 1 293.432 3.689 20 0 CHADMN Cc1nc2ccc(Nc3cc(C4CCC4)nn3C)cc2[nH]1 ZINC001213072180 1125566735 /nfs/dbraw/zinc/56/67/35/1125566735.db2.gz GTUJRFGOMFMJGT-UHFFFAOYSA-N 0 1 281.363 3.616 20 0 CHADMN Cn1cncc1CNCc1ccc(Oc2ccccc2)cc1 ZINC000237937768 1125567560 /nfs/dbraw/zinc/56/75/60/1125567560.db2.gz KUFFBYUTWWWFIW-UHFFFAOYSA-N 0 1 293.370 3.502 20 0 CHADMN Cc1nc2sccn2c1CN(C)Cc1c(C)cccc1C ZINC000532723109 1125576247 /nfs/dbraw/zinc/57/62/47/1125576247.db2.gz BEYUVNQBDAWMLI-UHFFFAOYSA-N 0 1 299.443 3.953 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1Cc1nnc(C(C)(C)C)o1 ZINC000135342157 1125586721 /nfs/dbraw/zinc/58/67/21/1125586721.db2.gz CQWMGDIGBLAHMG-STQMWFEESA-N 0 1 279.428 3.768 20 0 CHADMN CCn1nccc1CN1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000245772176 1125593716 /nfs/dbraw/zinc/59/37/16/1125593716.db2.gz RZLVJLZPJNZBLN-GUYCJALGSA-N 0 1 287.382 3.625 20 0 CHADMN CCn1cc(CN2C[C@@H](C)C[C@H]2c2ccccc2F)cn1 ZINC000245808110 1125595551 /nfs/dbraw/zinc/59/55/51/1125595551.db2.gz YWDLMXPSSJEBHO-GUYCJALGSA-N 0 1 287.382 3.625 20 0 CHADMN COc1ccc(CN(C)Cc2cc(C)c(F)c(F)c2)cc1 ZINC001143596840 1125610663 /nfs/dbraw/zinc/61/06/63/1125610663.db2.gz DNCULPXFIIOVJR-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1cnc(OC)c(Cl)c1 ZINC000533555413 1125615153 /nfs/dbraw/zinc/61/51/53/1125615153.db2.gz PFQZKGUENRLNRZ-LBPRGKRZSA-N 0 1 268.788 3.508 20 0 CHADMN CC[C@H]1CCCCN1Cc1cnc(OC)c(Cl)c1 ZINC000533555413 1125615154 /nfs/dbraw/zinc/61/51/54/1125615154.db2.gz PFQZKGUENRLNRZ-LBPRGKRZSA-N 0 1 268.788 3.508 20 0 CHADMN COc1cc(C)cc(CN[C@@H]2CCc3ccccc32)c1OC ZINC000885908673 1125625748 /nfs/dbraw/zinc/62/57/48/1125625748.db2.gz XGKXAESSTPMIIK-QGZVFWFLSA-N 0 1 297.398 3.789 20 0 CHADMN Cc1coc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000885944139 1125629191 /nfs/dbraw/zinc/62/91/91/1125629191.db2.gz KSOKMTIYMZSRCQ-AWEZNQCLSA-N 0 1 298.386 3.566 20 0 CHADMN COCCCN(Cc1ccco1)Cc1ccc(C)s1 ZINC000069003736 1125629416 /nfs/dbraw/zinc/62/94/16/1125629416.db2.gz YGVYEIYSKVCUGX-UHFFFAOYSA-N 0 1 279.405 3.688 20 0 CHADMN CCOc1cccc([C@H](C)NCc2cc(C)co2)c1 ZINC000885953742 1125629916 /nfs/dbraw/zinc/62/99/16/1125629916.db2.gz DZMOHAKONABVMP-ZDUSSCGKSA-N 0 1 259.349 3.838 20 0 CHADMN CC[N@@H+](Cc1cn2c(cccc2C)n1)Cc1ccccc1C ZINC000071950745 1125633157 /nfs/dbraw/zinc/63/31/57/1125633157.db2.gz PCLQTWKQPBAPHD-UHFFFAOYSA-N 0 1 293.414 3.973 20 0 CHADMN CCN(Cc1cn2c(cccc2C)n1)Cc1ccccc1C ZINC000071950745 1125633164 /nfs/dbraw/zinc/63/31/64/1125633164.db2.gz PCLQTWKQPBAPHD-UHFFFAOYSA-N 0 1 293.414 3.973 20 0 CHADMN CCSCc1cccc(NCc2n[nH]c(C)c2C)c1 ZINC000886036603 1125639189 /nfs/dbraw/zinc/63/91/89/1125639189.db2.gz AEKYJIYGWORYKN-UHFFFAOYSA-N 0 1 275.421 3.892 20 0 CHADMN Cc1[nH]nc(CNc2ccc(C)c(-c3ncco3)c2)c1C ZINC000886040278 1125639257 /nfs/dbraw/zinc/63/92/57/1125639257.db2.gz VRJTWRDGDVJIGL-UHFFFAOYSA-N 0 1 282.347 3.602 20 0 CHADMN Cc1[nH]nc(CNc2cc(C)c(C)c3ncccc23)c1C ZINC000886037806 1125639568 /nfs/dbraw/zinc/63/95/68/1125639568.db2.gz OOBVBGUQKUFYAY-UHFFFAOYSA-N 0 1 280.375 3.804 20 0 CHADMN CC[C@H](C)CN1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000246461900 1125640117 /nfs/dbraw/zinc/64/01/17/1125640117.db2.gz MEHRJWSKAUAMTQ-SGMGOOAPSA-N 0 1 253.411 3.556 20 0 CHADMN CC[C@H](CC(F)(F)F)NCc1ccc(Cl)cn1 ZINC000886064822 1125643140 /nfs/dbraw/zinc/64/31/40/1125643140.db2.gz JGGJFQXXTVTDOR-SECBINFHSA-N 0 1 266.694 3.556 20 0 CHADMN Cc1csc(C(C)(C)NC[C@@H]2CCC3(CCC3)CO2)n1 ZINC000886068251 1125644886 /nfs/dbraw/zinc/64/48/86/1125644886.db2.gz TVWLGXFGBODXKY-ZDUSSCGKSA-N 0 1 294.464 3.626 20 0 CHADMN CC[C@H](C)[C@H](C)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000246844507 1125649948 /nfs/dbraw/zinc/64/99/48/1125649948.db2.gz CHQIMZVXBALPCF-HEHGZKQESA-N 0 1 289.398 3.673 20 0 CHADMN COC[C@@H](N[C@@H]1CC1(C)C)c1cccc(Cl)c1F ZINC000348370333 1125661162 /nfs/dbraw/zinc/66/11/62/1125661162.db2.gz FVFQVWRGBQVYJL-VXGBXAGGSA-N 0 1 271.763 3.555 20 0 CHADMN Cc1[nH]nc(CNc2ccc3c(c2)CCCC3)c1C ZINC000886129334 1125654268 /nfs/dbraw/zinc/65/42/68/1125654268.db2.gz CFKLLUXDGHXHJT-UHFFFAOYSA-N 0 1 255.365 3.517 20 0 CHADMN CSc1cc(NCc2n[nH]c(C)c2C)ccc1C ZINC000886153554 1125656401 /nfs/dbraw/zinc/65/64/01/1125656401.db2.gz JUEDAMKKIZMRNP-UHFFFAOYSA-N 0 1 261.394 3.669 20 0 CHADMN Cc1ccnc(NCc2ccc(Cl)cn2)c1C1CC1 ZINC000886160088 1125657259 /nfs/dbraw/zinc/65/72/59/1125657259.db2.gz JWDDIURICQFJTD-UHFFFAOYSA-N 0 1 273.767 3.928 20 0 CHADMN Cc1ccsc1CN(C)Cc1cnn(-c2ccccc2)c1 ZINC000248114762 1125661416 /nfs/dbraw/zinc/66/14/16/1125661416.db2.gz LBNNANVZUBRITK-UHFFFAOYSA-N 0 1 297.427 3.874 20 0 CHADMN COc1c(C)cc(Cl)cc1NCc1n[nH]c(C)c1C ZINC000886170084 1125658888 /nfs/dbraw/zinc/65/88/88/1125658888.db2.gz PBJCEVPCVGEWNS-UHFFFAOYSA-N 0 1 279.771 3.609 20 0 CHADMN Cc1[nH]nc(CNc2ccc(F)cc2C(C)(F)F)c1C ZINC000886181451 1125660043 /nfs/dbraw/zinc/66/00/43/1125660043.db2.gz LVSXUJLRWPUKOO-UHFFFAOYSA-N 0 1 283.297 3.889 20 0 CHADMN Cc1[nH]nc(CNc2cccc(F)c2Br)c1C ZINC000886188292 1125660105 /nfs/dbraw/zinc/66/01/05/1125660105.db2.gz OXIHHBZTMODIAN-UHFFFAOYSA-N 0 1 298.159 3.540 20 0 CHADMN FC(F)(F)SCCN1CCC[C@H](c2ccccn2)C1 ZINC000886218389 1125661073 /nfs/dbraw/zinc/66/10/73/1125661073.db2.gz UPZRRBSTVANLQQ-NSHDSACASA-N 0 1 290.354 3.514 20 0 CHADMN F[C@H]1C[C@@H]2C[C@H]1CN2Cc1ccc2cccc(Cl)c2n1 ZINC001137228289 1125673192 /nfs/dbraw/zinc/67/31/92/1125673192.db2.gz MRHRSSOSCYRXDB-WHOFXGATSA-N 0 1 290.769 3.821 20 0 CHADMN CCc1nc(CN(C)[C@@H]2CCC[C@@H](C)C2)cs1 ZINC000248752776 1125674589 /nfs/dbraw/zinc/67/45/89/1125674589.db2.gz HXBDKNFOWIKLLX-DGCLKSJQSA-N 0 1 252.427 3.716 20 0 CHADMN FC(F)(F)c1cnc(CNC2(C3CC3)CCC2)s1 ZINC000886392049 1125676461 /nfs/dbraw/zinc/67/64/61/1125676461.db2.gz QMRDFXSJDQTEDJ-UHFFFAOYSA-N 0 1 276.327 3.584 20 0 CHADMN CCCOc1ccc(CN[C@H]2CCc3cccnc32)cc1 ZINC000886506179 1125681313 /nfs/dbraw/zinc/68/13/13/1125681313.db2.gz FTMVLXUWWMSWAG-KRWDZBQOSA-N 0 1 282.387 3.648 20 0 CHADMN CCO[C@@H](C)c1noc(CN2CCC[C@@H]2CC(C)(C)C)n1 ZINC000076723740 1125683764 /nfs/dbraw/zinc/68/37/64/1125683764.db2.gz KQVONOYYNZFZCE-QWHCGFSZSA-N 0 1 295.427 3.568 20 0 CHADMN C[C@@H]1CCN(Cc2nccs2)[C@H]1c1ccccc1 ZINC000886542686 1125687146 /nfs/dbraw/zinc/68/71/46/1125687146.db2.gz DOLQQDWECGEKRA-IUODEOHRSA-N 0 1 258.390 3.726 20 0 CHADMN CCc1cnc(CN2CC[C@H](C)[C@H]2c2ccccc2)o1 ZINC000886545097 1125688201 /nfs/dbraw/zinc/68/82/01/1125688201.db2.gz HBGPGNLVIJCEQM-GUYCJALGSA-N 0 1 270.376 3.820 20 0 CHADMN CCc1cnc(CN2CC[C@@H](C)[C@@H]2c2ccccc2)o1 ZINC000886545095 1125688400 /nfs/dbraw/zinc/68/84/00/1125688400.db2.gz HBGPGNLVIJCEQM-CXAGYDPISA-N 0 1 270.376 3.820 20 0 CHADMN CN(Cc1csc2ccccc12)Cc1ccccn1 ZINC000076990927 1125688573 /nfs/dbraw/zinc/68/85/73/1125688573.db2.gz RMAJPRJKQDHBDY-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H]1CCc2cccnc21 ZINC000886592377 1125695096 /nfs/dbraw/zinc/69/50/96/1125695096.db2.gz RHZLYLMXUQKTTR-BLLLJJGKSA-N 0 1 298.434 3.680 20 0 CHADMN CCSc1cccc(CN[C@H]2CCc3cccnc32)c1 ZINC000886614183 1125697906 /nfs/dbraw/zinc/69/79/06/1125697906.db2.gz PCDBAVZWSCSPPU-INIZCTEOSA-N 0 1 284.428 3.971 20 0 CHADMN Cc1ccccc1C1(N[C@H]2CCc3cccnc32)CC1 ZINC000886629802 1125699351 /nfs/dbraw/zinc/69/93/51/1125699351.db2.gz OBYNSKTXRZGXOB-INIZCTEOSA-N 0 1 264.372 3.656 20 0 CHADMN CC[C@H](N[C@@H]1CCc2cccnc21)c1ccccc1F ZINC000886631714 1125700763 /nfs/dbraw/zinc/70/07/63/1125700763.db2.gz UXDNZUAOEYJAOX-JKSUJKDBSA-N 0 1 270.351 3.949 20 0 CHADMN Cc1cnn(C)c1CN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000285343928 1125711183 /nfs/dbraw/zinc/71/11/83/1125711183.db2.gz DCNMUVITBNGVIE-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN Cc1ccc(F)c(NC(=O)c2cn[nH]c2-c2ccccc2)c1 ZINC000078302048 1125711302 /nfs/dbraw/zinc/71/13/02/1125711302.db2.gz KRWDTNIWEQNAOA-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN Cc1cccc(CNCc2cccn2CCC(C)C)n1 ZINC000161724314 1125712076 /nfs/dbraw/zinc/71/20/76/1125712076.db2.gz GOWIIFNHGHODMQ-UHFFFAOYSA-N 0 1 271.408 3.527 20 0 CHADMN C[C@@H](CN[C@@H](C)c1nc(C(C)(C)C)no1)c1ccccc1 ZINC000237440995 1125713702 /nfs/dbraw/zinc/71/37/02/1125713702.db2.gz GYPZOLDHPVGWON-STQMWFEESA-N 0 1 287.407 3.821 20 0 CHADMN CC(=O)CN[C@@H](C)c1cccc(SC(F)(F)F)c1 ZINC000886932447 1125726156 /nfs/dbraw/zinc/72/61/56/1125726156.db2.gz AKPVINCHYFCLJT-VIFPVBQESA-N 0 1 277.311 3.538 20 0 CHADMN C[C@@H]1CC[C@@H](CO)CN1Cc1cccc(Cl)c1Cl ZINC000093739019 1125726601 /nfs/dbraw/zinc/72/66/01/1125726601.db2.gz YCNFDVOPSYBLJO-GHMZBOCLSA-N 0 1 288.218 3.586 20 0 CHADMN CN(CCc1c(F)cccc1F)Cc1ccc(Cl)nc1 ZINC000827975411 1125728488 /nfs/dbraw/zinc/72/84/88/1125728488.db2.gz IMOXKFSNDLLJSH-UHFFFAOYSA-N 0 1 296.748 3.688 20 0 CHADMN OC1(C[C@H]2CCCCN2Cc2nccs2)CCCCC1 ZINC000887034881 1125729917 /nfs/dbraw/zinc/72/99/17/1125729917.db2.gz BBKULINCJRCPBS-CQSZACIVSA-N 0 1 294.464 3.583 20 0 CHADMN C[C@@H](NCCOc1cccc(C(C)(C)C)c1)c1cnccn1 ZINC000089722899 1125736385 /nfs/dbraw/zinc/73/63/85/1125736385.db2.gz UPISTNDUTJMDDR-CQSZACIVSA-N 0 1 299.418 3.504 20 0 CHADMN Cc1oc(-c2ccccc2)nc1CN1CCCSCC1 ZINC000089981051 1125738487 /nfs/dbraw/zinc/73/84/87/1125738487.db2.gz ILLXNBBBQOSLCJ-UHFFFAOYSA-N 0 1 288.416 3.589 20 0 CHADMN C[C@@H](N[C@H]1CC(C)(C)c2ccccc21)c1cnccn1 ZINC000090576481 1125743795 /nfs/dbraw/zinc/74/37/95/1125743795.db2.gz WXIGJGDDNYYEIK-DOMZBBRYSA-N 0 1 267.376 3.550 20 0 CHADMN C[C@@H]1CN(CC2CCSCC2)C[C@H](c2ccsc2)O1 ZINC000638130528 1129244542 /nfs/dbraw/zinc/24/45/42/1129244542.db2.gz GEUZAKAEEDDMHV-IUODEOHRSA-N 0 1 297.489 3.653 20 0 CHADMN C[C@H](OC1CCCCCC1)c1nc(C2(N)CCCC2)no1 ZINC000261894304 1125745597 /nfs/dbraw/zinc/74/55/97/1125745597.db2.gz XTLOMJGRSZCIRZ-LBPRGKRZSA-N 0 1 293.411 3.598 20 0 CHADMN Cc1c(CN[C@H](C)c2ccc(-c3ccccc3)o2)cnn1C ZINC000090887713 1125746779 /nfs/dbraw/zinc/74/67/79/1125746779.db2.gz NHUJEVOQNROMJK-CYBMUJFWSA-N 0 1 295.386 3.839 20 0 CHADMN COc1ccccc1[C@@H](N[C@@H](C)C(C)C)c1ccccn1 ZINC000090913599 1125747384 /nfs/dbraw/zinc/74/73/84/1125747384.db2.gz XUOXRXBZKFPBKX-KBXCAEBGSA-N 0 1 284.403 3.814 20 0 CHADMN C[C@H](c1nc2ccccc2n1C(F)F)N(C)CCCF ZINC000887137925 1125752151 /nfs/dbraw/zinc/75/21/51/1125752151.db2.gz YELMXMIMWKESSD-SNVBAGLBSA-N 0 1 285.313 3.784 20 0 CHADMN CC(C)Sc1ccc(-c2nc(C3(N)CCC3)no2)cc1 ZINC000262016067 1125750593 /nfs/dbraw/zinc/75/05/93/1125750593.db2.gz VQDKIWFKAJHKKC-UHFFFAOYSA-N 0 1 289.404 3.575 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3cccn3C(C)C)ccc12 ZINC000091825183 1125753456 /nfs/dbraw/zinc/75/34/56/1125753456.db2.gz CVAHOTTVDRJONW-UHFFFAOYSA-N 0 1 282.347 3.506 20 0 CHADMN Fc1ccc([C@@H]2CCN(Cc3cnccc3Cl)C2)cc1 ZINC001137238384 1125755426 /nfs/dbraw/zinc/75/54/26/1125755426.db2.gz VYDUHWSUCHBBSV-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1cc(CN2CC3(CCCC3)OC[C@H]2C)cs1 ZINC001118566396 1131231623 /nfs/dbraw/zinc/23/16/23/1131231623.db2.gz KSWSMZQLOCGFKN-GFCCVEGCSA-N 0 1 265.422 3.590 20 0 CHADMN CCC(C)(C)[N@@H+](C)Cc1nnc(Cc2ccccc2C)o1 ZINC000348406289 1125760981 /nfs/dbraw/zinc/76/09/81/1125760981.db2.gz PEQHVUSQTWDLIV-UHFFFAOYSA-N 0 1 287.407 3.589 20 0 CHADMN CCC(C)(C)N(C)Cc1nnc(Cc2ccccc2C)o1 ZINC000348406289 1125760989 /nfs/dbraw/zinc/76/09/89/1125760989.db2.gz PEQHVUSQTWDLIV-UHFFFAOYSA-N 0 1 287.407 3.589 20 0 CHADMN Cc1nc2c(s1)[C@@H](N(C)Cc1ncccc1C)CCC2 ZINC000093193361 1125765687 /nfs/dbraw/zinc/76/56/87/1125765687.db2.gz KMCDZPLICLLNJQ-HNNXBMFYSA-N 0 1 287.432 3.664 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CCCCCCCC1 ZINC000322083797 1125770877 /nfs/dbraw/zinc/77/08/77/1125770877.db2.gz PLHIRJBLKFQRKP-UHFFFAOYSA-N 0 1 281.783 3.842 20 0 CHADMN Cc1ccc(CN2CCC(OCC3CC3)CC2)c(F)c1 ZINC000638121294 1129244910 /nfs/dbraw/zinc/24/49/10/1129244910.db2.gz DPRTYAMMIIHHAR-UHFFFAOYSA-N 0 1 277.383 3.525 20 0 CHADMN Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc(C)cc1F ZINC000638172738 1129246761 /nfs/dbraw/zinc/24/67/61/1129246761.db2.gz ZPPOHIPHIKLDHP-KRWDZBQOSA-N 0 1 287.382 3.513 20 0 CHADMN CC(C)C[C@@H](C)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000622322498 1129247810 /nfs/dbraw/zinc/24/78/10/1129247810.db2.gz SCBZFXLFEDIAKK-SECBINFHSA-N 0 1 289.297 3.575 20 0 CHADMN c1cc(Oc2ccccc2)oc1CNCCOC1CCC1 ZINC000779980214 1129179332 /nfs/dbraw/zinc/17/93/32/1129179332.db2.gz HRTRXRVGHKBNMZ-UHFFFAOYSA-N 0 1 287.359 3.731 20 0 CHADMN c1cc(CN2CCC(c3ccsc3)CC2)sn1 ZINC000639061573 1129279291 /nfs/dbraw/zinc/27/92/91/1129279291.db2.gz NTYNKZPRMXYCIQ-UHFFFAOYSA-N 0 1 264.419 3.584 20 0 CHADMN Cc1nc(CN2CC[C@@]2(C)C2CCCCC2)oc1C ZINC000640220489 1129351346 /nfs/dbraw/zinc/35/13/46/1129351346.db2.gz ULTZMXWRGZAGAG-INIZCTEOSA-N 0 1 262.397 3.836 20 0 CHADMN C[C@@H](CN(C)[C@@H](C)c1nc(C2CC2)no1)C(C)(C)C ZINC000640349526 1129356107 /nfs/dbraw/zinc/35/61/07/1129356107.db2.gz DDCPDYWDNLBINX-QWRGUYRKSA-N 0 1 265.401 3.622 20 0 CHADMN CCOc1cncc(CN(Cc2cccs2)C(C)C)c1 ZINC000621711954 1129184457 /nfs/dbraw/zinc/18/44/57/1129184457.db2.gz NKSCFDPWWDCWHD-UHFFFAOYSA-N 0 1 290.432 3.952 20 0 CHADMN Cc1nccnc1CN1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000621717852 1129185508 /nfs/dbraw/zinc/18/55/08/1129185508.db2.gz PXTUNHYWEHYBPH-YVEFUNNKSA-N 0 1 285.366 3.507 20 0 CHADMN CCC(CC)CCCN(C)C(=O)c1cnc(C(C)C)[nH]1 ZINC001118736834 1131235234 /nfs/dbraw/zinc/23/52/34/1131235234.db2.gz ZWVWFDRUQWIDDA-UHFFFAOYSA-N 0 1 279.428 3.822 20 0 CHADMN Fc1ccc(CN2CC[C@@H]3CCC[C@H]32)c(Br)c1 ZINC000378763014 1129634542 /nfs/dbraw/zinc/63/45/42/1129634542.db2.gz KJBWLVIJNGGMCD-IINYFYTJSA-N 0 1 298.199 3.963 20 0 CHADMN Cc1[nH]ncc1CN(C)C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000636076657 1129197816 /nfs/dbraw/zinc/19/78/16/1129197816.db2.gz FWRKQVBGBTXLDU-TZMCWYRMSA-N 0 1 291.439 3.529 20 0 CHADMN CCc1nnc(CN2CCC[C@@H]2CC2CCCC2)s1 ZINC000653892248 1129800486 /nfs/dbraw/zinc/80/04/86/1129800486.db2.gz DSQHMLUBNCUJKR-CYBMUJFWSA-N 0 1 279.453 3.645 20 0 CHADMN CCc1nn(C)c(Cl)c1CN(C)[C@H](C)C(C)(C)C ZINC000768545158 1129864104 /nfs/dbraw/zinc/86/41/04/1129864104.db2.gz UGJNPZLDVRASCG-SNVBAGLBSA-N 0 1 271.836 3.502 20 0 CHADMN Cc1cccc(C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-])c1 ZINC000901840797 1129959376 /nfs/dbraw/zinc/95/93/76/1129959376.db2.gz OSMAOVBWCROOKD-UHFFFAOYSA-N 0 1 277.408 3.564 20 0 CHADMN Cc1cn[nH]c1CSCc1ccccc1CF ZINC000901884230 1129963925 /nfs/dbraw/zinc/96/39/25/1129963925.db2.gz KXYHELDZAWNOLD-UHFFFAOYSA-N 0 1 250.342 3.621 20 0 CHADMN Cc1cscc1CN[C@H](C)c1cccnc1Cl ZINC000786927340 1130123060 /nfs/dbraw/zinc/12/30/60/1130123060.db2.gz LEQOGDZWDSIOKK-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN CC(C)CCC[C@H](C)NCc1nccc(OC(C)C)n1 ZINC001170072639 1130149403 /nfs/dbraw/zinc/14/94/03/1130149403.db2.gz BDKXKEDMBYKBFN-AWEZNQCLSA-N 0 1 279.428 3.568 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@@H](C)c1cncs1 ZINC000903312878 1130151660 /nfs/dbraw/zinc/15/16/60/1130151660.db2.gz ZTBJEOIYFGTUQP-DTWKUNHWSA-N 0 1 268.407 3.625 20 0 CHADMN Cc1cccc([C@H](C)NCc2cnc(Cl)cn2)c1C ZINC000788490099 1130190219 /nfs/dbraw/zinc/19/02/19/1130190219.db2.gz XMTCFGSNANXVQP-LBPRGKRZSA-N 0 1 275.783 3.598 20 0 CHADMN CC(C)(C)c1nnc(CN[C@H]2CC[C@@H]2C2CCC2)s1 ZINC000338003874 1126709015 /nfs/dbraw/zinc/70/90/15/1126709015.db2.gz WRIKZDXJKSWJRR-NEPJUHHUSA-N 0 1 279.453 3.504 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@@H]1CCCc2nn(C)cc21 ZINC000338009149 1126709140 /nfs/dbraw/zinc/70/91/40/1126709140.db2.gz IBWXUIKHOXWDBN-CZUORRHYSA-N 0 1 299.418 3.547 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1cccc(F)c1 ZINC000481752735 1126712509 /nfs/dbraw/zinc/71/25/09/1126712509.db2.gz WKBLSFMAGVNUJI-ZWNOBZJWSA-N 0 1 275.289 3.989 20 0 CHADMN CC[C@H](CN(CC)Cc1ncc(C)cn1)c1ccccc1 ZINC000481759368 1126712186 /nfs/dbraw/zinc/71/21/86/1126712186.db2.gz XLAWZCRSVUXFSN-MRXNPFEDSA-N 0 1 283.419 3.801 20 0 CHADMN C[C@H](c1nc(-c2ccccc2)no1)N(C)CCC1CC1 ZINC000135291727 1126716562 /nfs/dbraw/zinc/71/65/62/1126716562.db2.gz IFOGZWXAZOAYGH-GFCCVEGCSA-N 0 1 271.364 3.530 20 0 CHADMN CSC[C@H]1CCCN1Cc1cc(-c2cccs2)on1 ZINC000135462586 1126718606 /nfs/dbraw/zinc/71/86/06/1126718606.db2.gz QWNMPWNEKZAKDN-GFCCVEGCSA-N 0 1 294.445 3.731 20 0 CHADMN Cc1nc2ccc(CS[C@H]3COC(C)(C)C3)cc2[nH]1 ZINC000600574777 1126718633 /nfs/dbraw/zinc/71/86/33/1126718633.db2.gz XLIVPQKWEYADTG-GFCCVEGCSA-N 0 1 276.405 3.672 20 0 CHADMN COc1ncc(CN2C3CCCC2CCC3)cc1Cl ZINC000676888465 1130275250 /nfs/dbraw/zinc/27/52/50/1130275250.db2.gz BFGWMYFHRUETBC-UHFFFAOYSA-N 0 1 280.799 3.651 20 0 CHADMN CCCN(Cc1ccc(F)cc1)Cc1ccc(OC)cn1 ZINC000338234608 1126726212 /nfs/dbraw/zinc/72/62/12/1126726212.db2.gz PYBFEKYIASIHJT-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN CC(C)SCCN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000338284943 1126730133 /nfs/dbraw/zinc/73/01/33/1126730133.db2.gz XYMSMZMFUBPBTD-NSHDSACASA-N 0 1 284.494 3.814 20 0 CHADMN COc1ccc(CN[C@@H](C)c2c(C)cccc2C)nc1 ZINC000338317088 1126733660 /nfs/dbraw/zinc/73/36/60/1126733660.db2.gz IUDSBIWDKQIYJJ-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CCc1ccccc1CN[C@@H](C)c1ccncc1F ZINC000338341101 1126735990 /nfs/dbraw/zinc/73/59/90/1126735990.db2.gz DIRMMSAIQDKYLS-LBPRGKRZSA-N 0 1 258.340 3.634 20 0 CHADMN CC[C@@H]1CCN(Cc2cccc(Br)c2OC)C1 ZINC000482001284 1126737680 /nfs/dbraw/zinc/73/76/80/1126737680.db2.gz SQTZVTFKZYICJW-LLVKDONJSA-N 0 1 298.224 3.690 20 0 CHADMN CCOc1cc(CN2C3CCCC2CCC3)c(F)cn1 ZINC001238731692 1131237971 /nfs/dbraw/zinc/23/79/71/1131237971.db2.gz DSYZBENIDXDPBT-UHFFFAOYSA-N 0 1 278.371 3.526 20 0 CHADMN C[C@H]1CCCCN(Cc2cnc3ccc(Cl)cn23)C1 ZINC000482300523 1126749384 /nfs/dbraw/zinc/74/93/84/1126749384.db2.gz UBVOZJRGVQVYBL-LBPRGKRZSA-N 0 1 277.799 3.610 20 0 CHADMN CC[C@@H](NCc1c(C)nn(C)c1C)c1ccc(Cl)s1 ZINC000151201363 1126751420 /nfs/dbraw/zinc/75/14/20/1126751420.db2.gz AZRCMTUUXYCNHU-GFCCVEGCSA-N 0 1 297.855 3.993 20 0 CHADMN Cc1ccc([C@@H](C)Nc2cnn(-c3ccncc3)c2)s1 ZINC000679127148 1126752660 /nfs/dbraw/zinc/75/26/60/1126752660.db2.gz JPTJLHUVDDJKQK-GFCCVEGCSA-N 0 1 284.388 3.810 20 0 CHADMN Cc1c(Br)cncc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000668013333 1126753501 /nfs/dbraw/zinc/75/35/01/1126753501.db2.gz VOXKEURYBMZFQX-FZMZJTMJSA-N 0 1 295.224 3.527 20 0 CHADMN C[C@H](N[C@H]1CCC[C@@H]2C[C@@H]21)c1nc(C2CCCCC2)no1 ZINC000668051359 1126756524 /nfs/dbraw/zinc/75/65/24/1126756524.db2.gz OMJKQMNOTDNSDZ-ATGSNQNLSA-N 0 1 289.423 3.957 20 0 CHADMN Cc1ccc2c(c1)CN(CCc1ccccc1F)C2 ZINC000482448267 1126757380 /nfs/dbraw/zinc/75/73/80/1126757380.db2.gz FMSNHHMYIIHKPO-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN C[C@@H](CF)NCc1cc(Br)c(Cl)s1 ZINC000288326779 1126757529 /nfs/dbraw/zinc/75/75/29/1126757529.db2.gz AFNDUPVNMKIPBZ-YFKPBYRVSA-N 0 1 286.597 3.612 20 0 CHADMN C[C@H]1CC[C@@H](N(C)Cc2nnc(-c3ccccc3)s2)C1 ZINC000429565086 1126762306 /nfs/dbraw/zinc/76/23/06/1126762306.db2.gz GWSQXOXMFIQPIV-GXTWGEPZSA-N 0 1 287.432 3.826 20 0 CHADMN CC(C)[C@@H]1N(Cc2nccn2C(C)C)CC12CCCC2 ZINC000668228108 1126775203 /nfs/dbraw/zinc/77/52/03/1126775203.db2.gz ACDQBUPCXMRUAO-INIZCTEOSA-N 0 1 275.440 3.865 20 0 CHADMN Cc1ccccc1-c1nc(CNC2CCCCCC2)no1 ZINC000483321018 1126781797 /nfs/dbraw/zinc/78/17/97/1126781797.db2.gz FJEYIMLHCFUBDE-UHFFFAOYSA-N 0 1 285.391 3.857 20 0 CHADMN Cc1ccc(CNCc2ccc(F)c(C(F)(F)F)c2)cn1 ZINC000162587880 1126781819 /nfs/dbraw/zinc/78/18/19/1126781819.db2.gz UCQNRINSRAKNJM-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN CC[C@H](NCc1cnccc1C)c1ccccc1F ZINC000162671842 1126786474 /nfs/dbraw/zinc/78/64/74/1126786474.db2.gz YAPZJVMTJINENB-INIZCTEOSA-N 0 1 258.340 3.770 20 0 CHADMN Cc1ccc2cc(CN3CC(CC(F)F)C3)[nH]c2c1 ZINC000668251090 1126788944 /nfs/dbraw/zinc/78/89/44/1126788944.db2.gz OJYBIONYFYZGST-UHFFFAOYSA-N 0 1 264.319 3.563 20 0 CHADMN Fc1cccc(Cl)c1CCN1CCC(C(F)F)CC1 ZINC000483519377 1126790391 /nfs/dbraw/zinc/79/03/91/1126790391.db2.gz PDEJXSWSQAEXMK-UHFFFAOYSA-N 0 1 291.744 3.999 20 0 CHADMN C[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1F ZINC000679228086 1130505193 /nfs/dbraw/zinc/50/51/93/1130505193.db2.gz VHBQXKZHUUHRKX-GWCFXTLKSA-N 0 1 275.289 3.885 20 0 CHADMN CCC(C)(C)CCN1CCO[C@H](c2cccc(O)c2)C1 ZINC000483641720 1126795647 /nfs/dbraw/zinc/79/56/47/1126795647.db2.gz UTCYGAPPNWXLQY-INIZCTEOSA-N 0 1 277.408 3.592 20 0 CHADMN CC[C@@](C)(NCc1ccc(O)cc1)c1nc(C)cs1 ZINC000679393608 1130525750 /nfs/dbraw/zinc/52/57/50/1130525750.db2.gz CJWAORNFSKBQKU-OAHLLOKOSA-N 0 1 276.405 3.572 20 0 CHADMN C[C@@H](Sc1c[nH]nn1)c1ccc(OC(F)(F)F)cc1 ZINC000177382579 1126800866 /nfs/dbraw/zinc/80/08/66/1126800866.db2.gz XEXUMZFIEDUYLW-SSDOTTSWSA-N 0 1 289.282 3.557 20 0 CHADMN COc1ccc(C[N@H+]2CCc3cc(C)ccc3C2)cc1 ZINC000483660572 1126796557 /nfs/dbraw/zinc/79/65/57/1126796557.db2.gz MFYINFVBGGOBRT-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN CN(Cc1ccccc1F)C[C@@H](O)c1ccc(Cl)cc1 ZINC000042668792 1126798998 /nfs/dbraw/zinc/79/89/98/1126798998.db2.gz RETNCCVUULWKRL-MRXNPFEDSA-N 0 1 293.769 3.645 20 0 CHADMN CCOc1ccc(CN2CC(C)(CC(F)F)C2)c(C)c1 ZINC000668273960 1126803076 /nfs/dbraw/zinc/80/30/76/1126803076.db2.gz PNJYMQOVVCKCLH-UHFFFAOYSA-N 0 1 283.362 3.871 20 0 CHADMN Cc1ccc2[nH]c(CN[C@H]3CCc4ccc(C)cc43)nc2c1 ZINC000483865811 1126803881 /nfs/dbraw/zinc/80/38/81/1126803881.db2.gz GDHWIYADXOMCLO-INIZCTEOSA-N 0 1 291.398 3.957 20 0 CHADMN Cc1ccc2nc(CN[C@H]3CCc4ccc(C)cc43)[nH]c2c1 ZINC000483865811 1126803883 /nfs/dbraw/zinc/80/38/83/1126803883.db2.gz GDHWIYADXOMCLO-INIZCTEOSA-N 0 1 291.398 3.957 20 0 CHADMN COc1ccc([C@@H](C)NCc2nc3cc(C)ccc3[nH]2)cc1 ZINC000483875384 1126804640 /nfs/dbraw/zinc/80/46/40/1126804640.db2.gz YVMYWGQQNBZRDC-CYBMUJFWSA-N 0 1 295.386 3.731 20 0 CHADMN COc1ccc([C@@H](C)NCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000483875384 1126804642 /nfs/dbraw/zinc/80/46/42/1126804642.db2.gz YVMYWGQQNBZRDC-CYBMUJFWSA-N 0 1 295.386 3.731 20 0 CHADMN C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccco1 ZINC000177939041 1126807672 /nfs/dbraw/zinc/80/76/72/1126807672.db2.gz HCMAKPYOYRQECK-SGTLLEGYSA-N 0 1 299.370 3.853 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cn3c(cccc3C)n2)cc1 ZINC000178062039 1126808667 /nfs/dbraw/zinc/80/86/67/1126808667.db2.gz DBQZMDZUIIXWFB-OAHLLOKOSA-N 0 1 279.387 3.802 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@@H]2CCc3cc(F)ccc32)cn1 ZINC000178089631 1126808873 /nfs/dbraw/zinc/80/88/73/1126808873.db2.gz ZAAXRAGMTGSXIW-SJKOYZFVSA-N 0 1 287.382 3.941 20 0 CHADMN Cc1ccc2c(c1)CCN(CCC(=O)c1ccccc1)C2 ZINC000483992334 1126809119 /nfs/dbraw/zinc/80/91/19/1126809119.db2.gz FGQOTDQYXJHOCV-UHFFFAOYSA-N 0 1 279.383 3.626 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H](C)c1ccncc1 ZINC000178128877 1126809221 /nfs/dbraw/zinc/80/92/21/1126809221.db2.gz CZBLUPNKHNMOLP-OLZOCXBDSA-N 0 1 286.423 3.753 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc([S@](C)=O)cc2)o1 ZINC000178301978 1126811392 /nfs/dbraw/zinc/81/13/92/1126811392.db2.gz IIKUCQVNZGKKIO-IZDJOXEWSA-N 0 1 291.416 3.737 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@H](C)c1ccc(C)o1 ZINC000178301487 1126811607 /nfs/dbraw/zinc/81/16/07/1126811607.db2.gz WNQCRWMIEXPUJL-DOMZBBRYSA-N 0 1 271.360 3.935 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccco1)c1ccc2c(c1)OCCO2 ZINC000178368439 1126812256 /nfs/dbraw/zinc/81/22/56/1126812256.db2.gz PSZAWQPSCYXNEY-GXTWGEPZSA-N 0 1 287.359 3.853 20 0 CHADMN CCOc1ccccc1CN[C@H](C)c1ccc2c(c1)CCO2 ZINC000178467241 1126814410 /nfs/dbraw/zinc/81/44/10/1126814410.db2.gz ISVGZSLSSNNKEW-CQSZACIVSA-N 0 1 297.398 3.871 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@@H]1CCc3ccccc31)CCO2 ZINC000178464725 1126814660 /nfs/dbraw/zinc/81/46/60/1126814660.db2.gz KVZKGEAKQMKSPK-IAGOWNOFSA-N 0 1 283.346 3.926 20 0 CHADMN FC(F)O[C@@H]1CCCN(CCc2ccccc2Cl)C1 ZINC000679681703 1130551241 /nfs/dbraw/zinc/55/12/41/1130551241.db2.gz IRILBYBLGQSSBM-GFCCVEGCSA-N 0 1 289.753 3.586 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1ccc2ccccc2n1 ZINC000178723181 1126819020 /nfs/dbraw/zinc/81/90/20/1126819020.db2.gz PDIMBXIPAXFFET-TZMCWYRMSA-N 0 1 294.402 3.689 20 0 CHADMN CCc1ccccc1-c1noc([C@H](CC(C)C)NC)n1 ZINC000904085965 1126827782 /nfs/dbraw/zinc/82/77/82/1126827782.db2.gz XSRHCUFXWSSUEF-AWEZNQCLSA-N 0 1 273.380 3.606 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(Cc2cc(C)cc(C)c2)no1 ZINC000904084720 1126827846 /nfs/dbraw/zinc/82/78/46/1126827846.db2.gz GFJHKZDRGYHQJV-HNNXBMFYSA-N 0 1 287.407 3.584 20 0 CHADMN CCS[C@H](C)c1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3N2)n1 ZINC000904098648 1126828341 /nfs/dbraw/zinc/82/83/41/1126828341.db2.gz YHXIQVAJPOBCRG-VOAKCMCISA-N 0 1 295.452 3.867 20 0 CHADMN CC(C)(NCc1cccc(Cl)n1)c1cccc(F)c1 ZINC000179569323 1126829441 /nfs/dbraw/zinc/82/94/41/1126829441.db2.gz RCTZCXPLHGTMOD-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN CCN(Cc1cnn(C(C)C)c1)Cc1cccs1 ZINC000179720670 1126832561 /nfs/dbraw/zinc/83/25/61/1126832561.db2.gz VRQJTJBVXHPWTQ-UHFFFAOYSA-N 0 1 263.410 3.548 20 0 CHADMN Clc1cccc(CN[C@@H](c2ccccc2)C2CC2)n1 ZINC000179690435 1126832792 /nfs/dbraw/zinc/83/27/92/1126832792.db2.gz LMKQJRRKDOIBFA-INIZCTEOSA-N 0 1 272.779 3.976 20 0 CHADMN CC(C)n1cc(CN(C)[C@@H](C)c2ccccc2)cn1 ZINC000179701827 1126833432 /nfs/dbraw/zinc/83/34/32/1126833432.db2.gz OFWJJLIECLSKCI-AWEZNQCLSA-N 0 1 257.381 3.657 20 0 CHADMN Cc1ncc(Nc2snnc2-c2ccccc2)s1 ZINC001212128570 1126839028 /nfs/dbraw/zinc/83/90/28/1126839028.db2.gz UWHSUSNIERVFQH-UHFFFAOYSA-N 0 1 274.374 3.714 20 0 CHADMN Cc1noc(C)c1CN[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000180233861 1126841868 /nfs/dbraw/zinc/84/18/68/1126841868.db2.gz POSPCQQSHXETLL-PIGZYNQJSA-N 0 1 270.376 3.623 20 0 CHADMN CCOc1nc2cc(-c3nc(C4CCCC4)no3)ccc2[nH]1 ZINC000904353884 1126848032 /nfs/dbraw/zinc/84/80/32/1126848032.db2.gz WEWLDCCKPGKSSD-UHFFFAOYSA-N 0 1 298.346 3.669 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2cccnc2)cc1Cl ZINC000180796622 1126848486 /nfs/dbraw/zinc/84/84/86/1126848486.db2.gz VUBJFESEEZYEON-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(F)cn1 ZINC000484805481 1126848890 /nfs/dbraw/zinc/84/88/90/1126848890.db2.gz AICIBXIFRRDTRY-APPDUMDISA-N 0 1 288.341 3.773 20 0 CHADMN CC(C)[C@@H](NCc1cncn1C)c1ccc(Cl)cc1F ZINC000181009218 1126851225 /nfs/dbraw/zinc/85/12/25/1126851225.db2.gz RCOINRIOQADZPT-OAHLLOKOSA-N 0 1 295.789 3.700 20 0 CHADMN CCCCCC[C@H](O)CNC(C)(C)c1nc(C)cs1 ZINC000759390736 1130653893 /nfs/dbraw/zinc/65/38/93/1130653893.db2.gz TXPATBJUPCAKFM-ZDUSSCGKSA-N 0 1 284.469 3.608 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1cccc(Cl)n1 ZINC000181539176 1126857608 /nfs/dbraw/zinc/85/76/08/1126857608.db2.gz UHGCDXJDGMEEJR-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN C[C@@H](N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000182157328 1126867533 /nfs/dbraw/zinc/86/75/33/1126867533.db2.gz CZSGORJYMKJCLW-QSGSBWRWSA-N 0 1 293.313 3.739 20 0 CHADMN Clc1ccc(CN[C@H](c2ccccc2)C2CC2)nc1 ZINC000182111538 1126866861 /nfs/dbraw/zinc/86/68/61/1126866861.db2.gz WKKYRRRUUGPWSD-MRXNPFEDSA-N 0 1 272.779 3.976 20 0 CHADMN CC(C)c1ccc([C@H](C)N(C)Cc2cnccn2)cc1 ZINC000181963605 1126863457 /nfs/dbraw/zinc/86/34/57/1126863457.db2.gz SXYQYIBLSWXJHG-AWEZNQCLSA-N 0 1 269.392 3.793 20 0 CHADMN CN(Cc1cnc[nH]1)Cc1cccc(C2CCCC2)c1 ZINC000668422162 1126871038 /nfs/dbraw/zinc/87/10/38/1126871038.db2.gz RWLVDKWXQDNNAQ-UHFFFAOYSA-N 0 1 269.392 3.699 20 0 CHADMN CC[C@H](O)c1ccccc1-c1cc(C(F)(F)F)n[nH]1 ZINC000904795857 1126875690 /nfs/dbraw/zinc/87/56/90/1126875690.db2.gz ZMHKBNUTNSNTNI-NSHDSACASA-N 0 1 270.254 3.539 20 0 CHADMN CN(C)Cc1ccc(-c2cccc([S@](C)(=N)=O)c2)s1 ZINC000904865459 1126881427 /nfs/dbraw/zinc/88/14/27/1126881427.db2.gz XXQXKUYXPIQFSY-LJQANCHMSA-N 0 1 294.445 3.512 20 0 CHADMN CCCn1c(C)nnc1CN(CCC(C)C)CCC(C)C ZINC000485126231 1126887817 /nfs/dbraw/zinc/88/78/17/1126887817.db2.gz QWNMQRAJSJKFOO-UHFFFAOYSA-N 0 1 294.487 3.891 20 0 CHADMN CCC[C@H](C)NC(=O)[C@H](C)N(CC)Cc1ccccc1C ZINC000485123791 1126888058 /nfs/dbraw/zinc/88/80/58/1126888058.db2.gz RVFSXENOTHDVCL-HOTGVXAUSA-N 0 1 290.451 3.510 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CCCC2(C)C)s1 ZINC000183579480 1126888870 /nfs/dbraw/zinc/88/88/70/1126888870.db2.gz RQDGQEDRALGDCJ-UHFFFAOYSA-N 0 1 278.343 3.845 20 0 CHADMN C[C@@H](c1cccnc1)N(C)CC1=Cc2ccccc2OC1 ZINC000183729523 1126891447 /nfs/dbraw/zinc/89/14/47/1126891447.db2.gz FTBWJRGXIVZZJS-AWEZNQCLSA-N 0 1 280.371 3.550 20 0 CHADMN Cc1ccc(CN(C)[C@H](C)c2cccnc2)cc1F ZINC000183717972 1126890850 /nfs/dbraw/zinc/89/08/50/1126890850.db2.gz WADIUPRZMWEXMV-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN CC(C)c1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1 ZINC000184170267 1126894435 /nfs/dbraw/zinc/89/44/35/1126894435.db2.gz MHPKRKCGSKDJRO-UHFFFAOYSA-N 0 1 269.348 3.663 20 0 CHADMN CC[C@H](N[C@H]1CCCc2sccc21)c1nccn1C ZINC000184661074 1126896554 /nfs/dbraw/zinc/89/65/54/1126896554.db2.gz XBVFUGLSWPKALP-STQMWFEESA-N 0 1 275.421 3.600 20 0 CHADMN CCOc1cc(CN2CCC[C@@H]3CCCC[C@H]32)c(F)cn1 ZINC001238726087 1131238245 /nfs/dbraw/zinc/23/82/45/1131238245.db2.gz BJMPQKRPCAXGOM-XJKSGUPXSA-N 0 1 292.398 3.774 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@@H](C)[C@H]2C)c(F)c1 ZINC001235200389 1130722974 /nfs/dbraw/zinc/72/29/74/1130722974.db2.gz FFYMLPVXCIZKIX-VXGBXAGGSA-N 0 1 253.336 3.894 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(C(C)(C)O)cc2)o1 ZINC000187501664 1126911197 /nfs/dbraw/zinc/91/11/97/1126911197.db2.gz YHFCIOAEXWHRQX-DYVFJYSZSA-N 0 1 299.414 3.920 20 0 CHADMN CCN(Cc1nccn1C(F)F)[C@H](C)Cc1ccsc1 ZINC000187785115 1126915139 /nfs/dbraw/zinc/91/51/39/1126915139.db2.gz MUCIHMFQGNZJPN-LLVKDONJSA-N 0 1 299.390 3.793 20 0 CHADMN CN(Cc1cn(CC/C=C\c2ccccc2)nn1)C(C)(C)C ZINC000905810304 1126916772 /nfs/dbraw/zinc/91/67/72/1126916772.db2.gz YXDAWVJUIIDKDI-WQLSENKSSA-N 0 1 298.434 3.612 20 0 CHADMN C(c1nc2c(s1)CCC2)N1CCC(C2CCC2)CC1 ZINC000668493173 1126917915 /nfs/dbraw/zinc/91/79/15/1126917915.db2.gz OREJPRGTAHFADP-UHFFFAOYSA-N 0 1 276.449 3.644 20 0 CHADMN Cc1ccnc(N[C@@H](C)CC2CCOCC2)c1C1CC1 ZINC000668512642 1126924007 /nfs/dbraw/zinc/92/40/07/1126924007.db2.gz UGOFVBNNDAEWQW-ZDUSSCGKSA-N 0 1 274.408 3.885 20 0 CHADMN COCC1(C2CCC2)CN(Cc2ccc(Cl)cc2)C1 ZINC000668513728 1126925603 /nfs/dbraw/zinc/92/56/03/1126925603.db2.gz WPHSMQLSDYUFNN-UHFFFAOYSA-N 0 1 279.811 3.589 20 0 CHADMN COCC1(C2CCC2)CN(Cc2ccc(SC)s2)C1 ZINC000668514601 1126926694 /nfs/dbraw/zinc/92/66/94/1126926694.db2.gz LMCLPQOZVIYPFR-UHFFFAOYSA-N 0 1 297.489 3.719 20 0 CHADMN Cc1ccc(NC(=O)c2cn[nH]c2C(C)C)cc1Cl ZINC000188936574 1126926860 /nfs/dbraw/zinc/92/68/60/1126926860.db2.gz SRHCNIUEZBGEGL-UHFFFAOYSA-N 0 1 277.755 3.747 20 0 CHADMN CSCc1cccc(-c2cnc([C@H]3CCCCN3)nc2)c1 ZINC000906157681 1126931376 /nfs/dbraw/zinc/93/13/76/1126931376.db2.gz HEBRRXIAUCQFEG-MRXNPFEDSA-N 0 1 299.443 3.821 20 0 CHADMN Cc1c(Cl)cccc1-c1cnc([C@H]2CCCCN2)nc1 ZINC000906183291 1126935295 /nfs/dbraw/zinc/93/52/95/1126935295.db2.gz ZJVCCSOEZDDRPW-OAHLLOKOSA-N 0 1 287.794 3.920 20 0 CHADMN CN(C)Cc1cc(-c2cccc3c2CCOC3)ccc1F ZINC000906176060 1126933845 /nfs/dbraw/zinc/93/38/45/1126933845.db2.gz YCBNSIXGAFBQHN-UHFFFAOYSA-N 0 1 285.362 3.627 20 0 CHADMN Fc1ccc(-c2cnc([C@H]3CCCCN3)nc2)c(Cl)c1 ZINC000906182458 1126934918 /nfs/dbraw/zinc/93/49/18/1126934918.db2.gz NNSURDDQRCAUSA-CQSZACIVSA-N 0 1 291.757 3.751 20 0 CHADMN COc1ccc(CN(Cc2cncc(C)c2)C2CC2)cc1 ZINC000189755720 1126935188 /nfs/dbraw/zinc/93/51/88/1126935188.db2.gz VCSBKPMTGUIJMI-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN Cc1ccc(-c2cnc([C@H]3CCCCN3)nc2)c(F)c1F ZINC000906183046 1126935228 /nfs/dbraw/zinc/93/52/28/1126935228.db2.gz WRJXBIJPMDDSCQ-CYBMUJFWSA-N 0 1 289.329 3.545 20 0 CHADMN c1nc2c(cccc2-c2cnc([C@H]3CCCCN3)nc2)s1 ZINC000906204812 1126937774 /nfs/dbraw/zinc/93/77/74/1126937774.db2.gz NTAVCBDMJBFGPS-CYBMUJFWSA-N 0 1 296.399 3.568 20 0 CHADMN CC=C(CC)C(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC000190176062 1126939677 /nfs/dbraw/zinc/93/96/77/1126939677.db2.gz HKWJMQDSUVCIGV-LFYBBSHMSA-N 0 1 298.390 3.890 20 0 CHADMN CCC[C@@H](NCc1cccnc1OC)c1ccsc1 ZINC000191198812 1126948811 /nfs/dbraw/zinc/94/88/11/1126948811.db2.gz AZDUGMUCVQVQKZ-CQSZACIVSA-N 0 1 276.405 3.783 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN[C@@H](C)c1cnn(C)c1 ZINC000190998284 1126946425 /nfs/dbraw/zinc/94/64/25/1126946425.db2.gz GQDKREMRUSGGPU-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN Cc1cccc(C)c1[C@H]1CCCN1Cc1cn(C2CC2)nn1 ZINC000906313851 1126946569 /nfs/dbraw/zinc/94/65/69/1126946569.db2.gz SCAJVXYNKNRWCO-QGZVFWFLSA-N 0 1 296.418 3.567 20 0 CHADMN CC(C)c1noc(CN[C@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000191885273 1126955748 /nfs/dbraw/zinc/95/57/48/1126955748.db2.gz WHKXWFFTQYWRRF-HOTGVXAUSA-N 0 1 299.418 3.694 20 0 CHADMN C[C@@H]1CCN(Cc2nc3ccccc3s2)CCS1 ZINC000192182977 1126958162 /nfs/dbraw/zinc/95/81/62/1126958162.db2.gz YKISWHMETWQGQA-LLVKDONJSA-N 0 1 278.446 3.624 20 0 CHADMN CC(C)c1ccc(C[C@H](C)NCc2cocn2)cc1 ZINC000192339793 1126960823 /nfs/dbraw/zinc/96/08/23/1126960823.db2.gz GNWGPWSSRZBVLV-ZDUSSCGKSA-N 0 1 258.365 3.519 20 0 CHADMN CC(C)c1ccc(C[C@@H](C)NCc2cocn2)cc1 ZINC000192339788 1126960897 /nfs/dbraw/zinc/96/08/97/1126960897.db2.gz GNWGPWSSRZBVLV-CYBMUJFWSA-N 0 1 258.365 3.519 20 0 CHADMN CN(Cc1ccc(Oc2ccccc2)o1)CC1=CCCOC1 ZINC000668568380 1126962719 /nfs/dbraw/zinc/96/27/19/1126962719.db2.gz DQHHBMDBFJEUPL-UHFFFAOYSA-N 0 1 299.370 3.850 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2cccc(O)c2)cc1F ZINC000193087373 1126966853 /nfs/dbraw/zinc/96/68/53/1126966853.db2.gz ZLBCQNPSZYIYDK-LBPRGKRZSA-N 0 1 289.350 3.781 20 0 CHADMN COC[C@H](NCc1cccs1)c1ccc(Cl)cc1 ZINC000193281357 1126968488 /nfs/dbraw/zinc/96/84/88/1126968488.db2.gz PCGRSIHTJLOBKX-AWEZNQCLSA-N 0 1 281.808 3.879 20 0 CHADMN c1cc2n(c1)CCN(C[C@@H]1CCC=CO1)[C@H]2c1ccccc1 ZINC000193715598 1126970021 /nfs/dbraw/zinc/97/00/21/1126970021.db2.gz YYIPXCXPUMXWFF-HKUYNNGSSA-N 0 1 294.398 3.586 20 0 CHADMN C=Cn1cc(CN(CC)[C@H](C)c2cccc(OC)c2)cn1 ZINC000193718098 1126970531 /nfs/dbraw/zinc/97/05/31/1126970531.db2.gz QPRGIHBWBRXMSM-CQSZACIVSA-N 0 1 285.391 3.575 20 0 CHADMN C=Cn1cc(CN2CCCCC[C@@H]2c2ccco2)cn1 ZINC000193967183 1126972305 /nfs/dbraw/zinc/97/23/05/1126972305.db2.gz QASFZNQMAWMUHQ-OAHLLOKOSA-N 0 1 271.364 3.694 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H]1CCC=CCCC1 ZINC000907199315 1126974531 /nfs/dbraw/zinc/97/45/31/1126974531.db2.gz RNDMPSBRIGSLLR-JTQLQIEISA-N 0 1 283.322 3.731 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(O)c1 ZINC000194873183 1126976776 /nfs/dbraw/zinc/97/67/76/1126976776.db2.gz YVXUXJWGWLPXSD-ZOCIIQOWSA-N 0 1 297.398 3.963 20 0 CHADMN CCCC[C@H](CC)CN[C@H](c1ncc[nH]1)c1cccnc1 ZINC000194959919 1126977466 /nfs/dbraw/zinc/97/74/66/1126977466.db2.gz ISHWXIFQLCQMNT-HOCLYGCPSA-N 0 1 286.423 3.700 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](C)c1cccc(O)c1 ZINC000194913562 1126977835 /nfs/dbraw/zinc/97/78/35/1126977835.db2.gz KJOKHBMVNQMBJN-ZDUSSCGKSA-N 0 1 271.360 3.560 20 0 CHADMN Cc1ccc(CC2CN(Cc3cnn(C(C)(C)C)c3)C2)cc1 ZINC000668607861 1126980018 /nfs/dbraw/zinc/98/00/18/1126980018.db2.gz FCJDXLDHCHQXBK-UHFFFAOYSA-N 0 1 297.446 3.621 20 0 CHADMN C[C@@H](NCc1cccc(N(C)C)c1)c1ccccc1F ZINC000266681904 1126986830 /nfs/dbraw/zinc/98/68/30/1126986830.db2.gz SKPNSNZRKSLJIC-CYBMUJFWSA-N 0 1 272.367 3.743 20 0 CHADMN C[C@@H](N[C@H](c1nccn1C)c1ccc(Cl)cc1)C1CC1 ZINC000267269713 1126996425 /nfs/dbraw/zinc/99/64/25/1126996425.db2.gz RXQLGKHLGZBWPL-ABAIWWIYSA-N 0 1 289.810 3.551 20 0 CHADMN Cc1ccc([C@H](O)CN[C@@H](C)c2ccccc2Cl)o1 ZINC000267285520 1126996453 /nfs/dbraw/zinc/99/64/53/1126996453.db2.gz WGNFNEXDVWVKRR-SMDDNHRTSA-N 0 1 279.767 3.626 20 0 CHADMN Fc1ccc2cc(CNCc3ccccc3F)[nH]c2c1 ZINC000486725953 1126997845 /nfs/dbraw/zinc/99/78/45/1126997845.db2.gz YEANSUSUQPLQNF-UHFFFAOYSA-N 0 1 272.298 3.736 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC000486781171 1127001809 /nfs/dbraw/zinc/00/18/09/1127001809.db2.gz RJKASZLHYQMXPP-HOCLYGCPSA-N 0 1 263.429 3.865 20 0 CHADMN CCCc1noc(CN2CCC[C@@H]2CCC2CCCC2)n1 ZINC000486813770 1127004568 /nfs/dbraw/zinc/00/45/68/1127004568.db2.gz WKEUMAUSQBQKOD-OAHLLOKOSA-N 0 1 291.439 3.957 20 0 CHADMN Cc1csc(CN2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000268099995 1127011587 /nfs/dbraw/zinc/01/15/87/1127011587.db2.gz KQKAXKNLUXUCMW-ZDUSSCGKSA-N 0 1 276.380 3.580 20 0 CHADMN CCOc1ccc(CNCc2ccc(CC)o2)cc1 ZINC000268526716 1127018480 /nfs/dbraw/zinc/01/84/80/1127018480.db2.gz WCECBHCDDKXUAP-UHFFFAOYSA-N 0 1 259.349 3.531 20 0 CHADMN COc1c2ccccc2oc1CNC/C=C\c1ccncc1 ZINC000487151303 1127019482 /nfs/dbraw/zinc/01/94/82/1127019482.db2.gz CSLXOYROHBZUBJ-PLNGDYQASA-N 0 1 294.354 3.639 20 0 CHADMN COCc1ccc(CN[C@H](c2ccc(C)cc2)C2CC2)o1 ZINC000268768751 1127023903 /nfs/dbraw/zinc/02/39/03/1127023903.db2.gz CZBVNMCWJFXKLA-GOSISDBHSA-N 0 1 285.387 3.975 20 0 CHADMN CC[C@H](C(=O)Nc1ncc(C(F)(F)F)[nH]1)c1ccccc1 ZINC000268742879 1127021845 /nfs/dbraw/zinc/02/18/45/1127021845.db2.gz QTBSXSGPDYZIBQ-JTQLQIEISA-N 0 1 297.280 3.561 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1ccccn1 ZINC000268718499 1127022046 /nfs/dbraw/zinc/02/20/46/1127022046.db2.gz NOUDQUNHYBSJMB-GUYCJALGSA-N 0 1 252.361 3.728 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2CCc3c2cccc3F)c(C)n1 ZINC000268858608 1127026518 /nfs/dbraw/zinc/02/65/18/1127026518.db2.gz BLNNGHLFOQMOJR-APPDUMDISA-N 0 1 285.366 3.571 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000569818526 1127028186 /nfs/dbraw/zinc/02/81/86/1127028186.db2.gz SQAIRIPQEIBDCY-CQSZACIVSA-N 0 1 279.380 3.551 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cn3ccc(C)cc3n2)cc1 ZINC000268899565 1127028444 /nfs/dbraw/zinc/02/84/44/1127028444.db2.gz LXWVALLYJNLGHL-OAHLLOKOSA-N 0 1 279.387 3.802 20 0 CHADMN Cc1ccsc1[C@H](C)NCc1cn2cc(C)ccc2n1 ZINC000268910720 1127028523 /nfs/dbraw/zinc/02/85/23/1127028523.db2.gz OCQFCMITCKHOLB-ZDUSSCGKSA-N 0 1 285.416 3.863 20 0 CHADMN CCCCOc1ccccc1CN(C)CC1=CCSC1 ZINC000668775111 1127029145 /nfs/dbraw/zinc/02/91/45/1127029145.db2.gz OSBGDABLGYTYTK-UHFFFAOYSA-N 0 1 291.460 3.971 20 0 CHADMN CCOc1c(Cl)cccc1CN(C)CC1=CCSC1 ZINC000668774960 1127029700 /nfs/dbraw/zinc/02/97/00/1127029700.db2.gz MMVJIICPGZIRBT-UHFFFAOYSA-N 0 1 297.851 3.844 20 0 CHADMN C[C@@H](NCc1ccc(F)cn1)c1ccc2c(c1)CCCC2 ZINC000269003852 1127031755 /nfs/dbraw/zinc/03/17/55/1127031755.db2.gz KFJMFAPELVWDAC-CYBMUJFWSA-N 0 1 284.378 3.950 20 0 CHADMN CC[C@H](N[C@@H](C)[C@@H](C)OC)c1nc(C(F)(F)F)cs1 ZINC000269002357 1127032101 /nfs/dbraw/zinc/03/21/01/1127032101.db2.gz VBPPKORNXIDLQR-YIZRAAEISA-N 0 1 296.358 3.626 20 0 CHADMN CC(C)(C)c1csc(CNC/C=C\c2ccncc2)n1 ZINC000487312707 1127032363 /nfs/dbraw/zinc/03/23/63/1127032363.db2.gz XHVOQALIZIXZMQ-PLNGDYQASA-N 0 1 287.432 3.639 20 0 CHADMN C[C@H](N[C@H]1CCc2c1cccc2F)c1cncc(F)c1 ZINC000269011390 1127033104 /nfs/dbraw/zinc/03/31/04/1127033104.db2.gz NOWCXUWETKNLEQ-QFYYESIMSA-N 0 1 274.314 3.698 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H](C)Oc2ccccc2C)cs1 ZINC000269404791 1127038956 /nfs/dbraw/zinc/03/89/56/1127038956.db2.gz HLCMWELMHCKBRF-OLZOCXBDSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1nc([C@H](C)NCCc2csc(C(C)C)n2)cs1 ZINC000269408648 1127038970 /nfs/dbraw/zinc/03/89/70/1127038970.db2.gz IJIRQMQVZRYPCB-JTQLQIEISA-N 0 1 295.477 3.925 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H](C)Oc2ccccc2F)cs1 ZINC000269429505 1127039391 /nfs/dbraw/zinc/03/93/91/1127039391.db2.gz OYFXNMKURSJBMD-MNOVXSKESA-N 0 1 294.395 3.709 20 0 CHADMN Cc1ccncc1CN(C)Cc1ccc(OC(F)F)cc1 ZINC000269438743 1127039839 /nfs/dbraw/zinc/03/98/39/1127039839.db2.gz PDGCSVKOWCYAJZ-UHFFFAOYSA-N 0 1 292.329 3.623 20 0 CHADMN Cc1ccc(CCN(C)Cc2nc3ccccc3n2C)cc1 ZINC000428721949 1127042558 /nfs/dbraw/zinc/04/25/58/1127042558.db2.gz VGCODYJLAMHPNK-UHFFFAOYSA-N 0 1 293.414 3.556 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cnccc2C)cc1 ZINC000269536876 1127041591 /nfs/dbraw/zinc/04/15/91/1127041591.db2.gz ZAYQLISSVHPPNL-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN Cc1ccc(CC[N@H+](C)Cc2nc3ccccc3n2C)cc1 ZINC000428721949 1127042554 /nfs/dbraw/zinc/04/25/54/1127042554.db2.gz VGCODYJLAMHPNK-UHFFFAOYSA-N 0 1 293.414 3.556 20 0 CHADMN CN(Cc1ccn(-c2ccc(F)cc2F)n1)CC(C)(C)C ZINC000487917165 1127048063 /nfs/dbraw/zinc/04/80/63/1127048063.db2.gz RDEKHSBEEDTMSG-UHFFFAOYSA-N 0 1 293.361 3.628 20 0 CHADMN COc1ncccc1CN1CCC[C@@H]1c1ccc(C)s1 ZINC000487913771 1127048098 /nfs/dbraw/zinc/04/80/98/1127048098.db2.gz NOUISYNLRNOIFJ-CQSZACIVSA-N 0 1 288.416 3.797 20 0 CHADMN CC[C@@H](C)CN1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000487963712 1127049689 /nfs/dbraw/zinc/04/96/89/1127049689.db2.gz MQZJOQUEKMTEQC-CQSZACIVSA-N 0 1 283.419 3.585 20 0 CHADMN COCCN(Cc1c(F)cccc1F)[C@@H]1CCC[C@H]1C ZINC000487997167 1127052973 /nfs/dbraw/zinc/05/29/73/1127052973.db2.gz DVZURWRELLKOHN-MLGOLLRUSA-N 0 1 283.362 3.602 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2cccc(Cl)c2)cn1 ZINC000487956327 1127050624 /nfs/dbraw/zinc/05/06/24/1127050624.db2.gz XIRNCUNUNPQEJP-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN COCCN(Cc1nc(C2CC2)cs1)[C@H]1CCC[C@H]1C ZINC000487964608 1127050795 /nfs/dbraw/zinc/05/07/95/1127050795.db2.gz PSPSIFGYASJEGB-DOMZBBRYSA-N 0 1 294.464 3.658 20 0 CHADMN C[C@@H](N[C@@H]1CCc2c1cccc2O)c1ccc(Cl)nc1 ZINC000270515987 1127056278 /nfs/dbraw/zinc/05/62/78/1127056278.db2.gz QKXHSPCZKPHEBT-QMTHXVAHSA-N 0 1 288.778 3.779 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1ncc(C2CC2)o1 ZINC000270525655 1127056804 /nfs/dbraw/zinc/05/68/04/1127056804.db2.gz DOHWHVVZSLENFI-CJNGLKHVSA-N 0 1 282.387 3.930 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)C[C@@H](O)c2cccs2)cs1 ZINC000270631598 1127058521 /nfs/dbraw/zinc/05/85/21/1127058521.db2.gz MINOHOWZHWRDIV-GBIKHYSHSA-N 0 1 296.461 3.676 20 0 CHADMN Fc1ccc([C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)C2)cc1 ZINC000270661553 1127060080 /nfs/dbraw/zinc/06/00/80/1127060080.db2.gz VVKRMIYBYQQQSN-AWEZNQCLSA-N 0 1 286.350 3.681 20 0 CHADMN Fc1ccc([C@H]2CCN(Cc3ncc(C4CC4)o3)C2)cc1 ZINC000270661553 1127060082 /nfs/dbraw/zinc/06/00/82/1127060082.db2.gz VVKRMIYBYQQQSN-AWEZNQCLSA-N 0 1 286.350 3.681 20 0 CHADMN Fc1ccccc1-c1n[nH]c(SCCC(F)(F)F)n1 ZINC000270677571 1127060860 /nfs/dbraw/zinc/06/08/60/1127060860.db2.gz YHNCENVRWGQOGP-UHFFFAOYSA-N 0 1 291.273 3.655 20 0 CHADMN CCC1(CO)CCN([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000270887807 1127063789 /nfs/dbraw/zinc/06/37/89/1127063789.db2.gz MFVCZNCYPWEXEJ-GFCCVEGCSA-N 0 1 283.362 3.510 20 0 CHADMN C[C@H](NCC(C)(C)c1ccccc1F)c1cscn1 ZINC000271073792 1127068422 /nfs/dbraw/zinc/06/84/22/1127068422.db2.gz FWSSYQXTVGAKNZ-NSHDSACASA-N 0 1 278.396 3.911 20 0 CHADMN CCn1nccc1CN([C@H](C)c1ccccc1)C1CC1 ZINC000271033104 1127066292 /nfs/dbraw/zinc/06/62/92/1127066292.db2.gz DOHWVXSXBXONLL-CQSZACIVSA-N 0 1 269.392 3.629 20 0 CHADMN COCc1ccc(CN2CCC[C@H]2c2cccc(F)c2)o1 ZINC000271082465 1127068623 /nfs/dbraw/zinc/06/86/23/1127068623.db2.gz ROTHRFAIHVUIKQ-KRWDZBQOSA-N 0 1 289.350 3.902 20 0 CHADMN Cc1cccc(O[C@@H](C)CN[C@@H](C)c2cscn2)c1 ZINC000271147298 1127069601 /nfs/dbraw/zinc/06/96/01/1127069601.db2.gz PQCORIVYIFVOQK-STQMWFEESA-N 0 1 276.405 3.570 20 0 CHADMN Cc1ccc(O[C@@H](C)CN[C@@H](C)c2cscn2)cc1 ZINC000271125056 1127069787 /nfs/dbraw/zinc/06/97/87/1127069787.db2.gz KIIJSHGVAGQEMY-STQMWFEESA-N 0 1 276.405 3.570 20 0 CHADMN Cc1cccc(C)c1OC[C@H](C)N[C@H](C)c1cscn1 ZINC000271162164 1127071348 /nfs/dbraw/zinc/07/13/48/1127071348.db2.gz SDAIOGLGRCZVPH-UONOGXRCSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1ncsc1CN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000271235160 1127072889 /nfs/dbraw/zinc/07/28/89/1127072889.db2.gz WHOMEICPCNFRBV-ABAIWWIYSA-N 0 1 258.390 3.645 20 0 CHADMN CC(C)CN[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000271209274 1127073261 /nfs/dbraw/zinc/07/32/61/1127073261.db2.gz HFRFVNBVWFQKTM-JTQLQIEISA-N 0 1 279.771 3.697 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@H]2CCCc3sccc32)n[nH]1 ZINC000271438096 1127081946 /nfs/dbraw/zinc/08/19/46/1127081946.db2.gz DWVLBBBLUWOQFO-PWSUYJOCSA-N 0 1 290.436 3.718 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(C)cc1 ZINC000271447651 1127082983 /nfs/dbraw/zinc/08/29/83/1127082983.db2.gz DAABQWPRDPQSJG-HZPDHXFCSA-N 0 1 269.392 3.836 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](CO)c2ccc(F)cc2)s1 ZINC000271464855 1127083384 /nfs/dbraw/zinc/08/33/84/1127083384.db2.gz KXCXDORMBCEJGU-NHYWBVRUSA-N 0 1 293.407 3.834 20 0 CHADMN CCCOc1cccc(CCN[C@@H](C)c2cscn2)c1 ZINC000271481199 1127084766 /nfs/dbraw/zinc/08/47/66/1127084766.db2.gz IXVPBXFAAFHEQN-ZDUSSCGKSA-N 0 1 290.432 3.825 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(Cl)s1 ZINC000271488746 1127085765 /nfs/dbraw/zinc/08/57/65/1127085765.db2.gz ONWADLTXSWPLHZ-BXKDBHETSA-N 0 1 299.798 3.925 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](C)c2ccc(C(C)C)cc2)n[nH]1 ZINC000271520637 1127088427 /nfs/dbraw/zinc/08/84/27/1127088427.db2.gz OIVSGGDQCIGFQF-STQMWFEESA-N 0 1 286.423 3.902 20 0 CHADMN CCc1nc([C@H](C)N[C@H](C)c2ccc3c(c2)CCCC3)n[nH]1 ZINC000271524831 1127088633 /nfs/dbraw/zinc/08/86/33/1127088633.db2.gz OXFAGNHWMAZLEQ-OLZOCXBDSA-N 0 1 298.434 3.658 20 0 CHADMN CC(C)N(CCCO)Cc1cc2sccc2nc1Cl ZINC001236866583 1131025425 /nfs/dbraw/zinc/02/54/25/1131025425.db2.gz JTUQLHJZGLHCFN-UHFFFAOYSA-N 0 1 298.839 3.543 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](CC)c2ccc(Cl)s2)n[nH]1 ZINC000271514205 1127088953 /nfs/dbraw/zinc/08/89/53/1127088953.db2.gz NOHFSIRJXBFAQW-BDAKNGLRSA-N 0 1 298.843 3.884 20 0 CHADMN C[C@@H](CN[C@@H](C)c1cscn1)Oc1ccccc1Cl ZINC000271567890 1127092710 /nfs/dbraw/zinc/09/27/10/1127092710.db2.gz YRPQXQKYKQGUBV-QWRGUYRKSA-N 0 1 296.823 3.915 20 0 CHADMN c1[nH]nc2c1CCC[C@@H]2N[C@@H]1CCSc2ccccc21 ZINC000271578550 1127092763 /nfs/dbraw/zinc/09/27/63/1127092763.db2.gz ZYZAMVBKFYTFRX-KGLIPLIRSA-N 0 1 285.416 3.614 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000271545239 1127090773 /nfs/dbraw/zinc/09/07/73/1127090773.db2.gz ZDMZEMJPDNSYSR-GUYCJALGSA-N 0 1 273.351 3.518 20 0 CHADMN CC(C)Oc1ccc([C@@H](C)N[C@H]2CCCc3c[nH]nc32)cc1 ZINC000271562991 1127092120 /nfs/dbraw/zinc/09/21/20/1127092120.db2.gz XGGDNMMHNYUTAJ-DYVFJYSZSA-N 0 1 299.418 3.925 20 0 CHADMN Cc1ccsc1[C@@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000271554841 1127092494 /nfs/dbraw/zinc/09/24/94/1127092494.db2.gz VRABQQXPGXQRII-ZYHUDNBSSA-N 0 1 261.394 3.508 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1cn2c(n1)CCCC2 ZINC000924844626 1127094395 /nfs/dbraw/zinc/09/43/95/1127094395.db2.gz VZPKHYXTKDKTQY-YOEHRIQHSA-N 0 1 295.430 3.866 20 0 CHADMN CC[C@H](N[C@@H](C)c1cn[nH]c1)c1cc(C)ccc1OC ZINC000271599090 1127094457 /nfs/dbraw/zinc/09/44/57/1127094457.db2.gz ZHPMAJWYJICWCP-WFASDCNBSA-N 0 1 273.380 3.529 20 0 CHADMN C[C@@H](NC/C=C/Cl)c1ccccc1OC(F)F ZINC000271658632 1127096111 /nfs/dbraw/zinc/09/61/11/1127096111.db2.gz GKHYOEZLKSSZLK-ILFKPUCNSA-N 0 1 261.699 3.691 20 0 CHADMN CC[C@@H](NCc1c[nH]nc1C)c1cccc(Cl)c1F ZINC000274006336 1127104997 /nfs/dbraw/zinc/10/49/97/1127104997.db2.gz AOOYCTJAZLKRLK-CYBMUJFWSA-N 0 1 281.762 3.752 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1cnccc1C ZINC000274313260 1127112789 /nfs/dbraw/zinc/11/27/89/1127112789.db2.gz MWTVDLWWWFAVBL-ZDUSSCGKSA-N 0 1 286.423 3.501 20 0 CHADMN Cc1cccc(C(=O)Nc2ccc3nc[nH]c3c2)c1Cl ZINC000339174704 1127117873 /nfs/dbraw/zinc/11/78/73/1127117873.db2.gz WDEXCQQVAAJCIA-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN CC(C)Oc1ccc(CNCc2cc(O)cc(F)c2)cc1 ZINC000274482396 1127119851 /nfs/dbraw/zinc/11/98/51/1127119851.db2.gz XYOLWMIILYFCGU-UHFFFAOYSA-N 0 1 289.350 3.608 20 0 CHADMN CC(C)n1ccc(CN[C@@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)n1 ZINC000348529448 1127121758 /nfs/dbraw/zinc/12/17/58/1127121758.db2.gz FAUFNNWAHHHWCI-SUNYJGFJSA-N 0 1 299.418 3.507 20 0 CHADMN COCC[C@@H](N[C@@H](C)c1ncc(C)s1)c1ccccc1 ZINC000348513974 1127121772 /nfs/dbraw/zinc/12/17/72/1127121772.db2.gz KMYVQTOFCOKNRL-DZGCQCFKSA-N 0 1 290.432 3.880 20 0 CHADMN C[C@H](OC(=O)c1cc(-c2ccco2)n[nH]1)c1ccccc1 ZINC000913298417 1127128044 /nfs/dbraw/zinc/12/80/44/1127128044.db2.gz KPHFIYZBKHCUPZ-NSHDSACASA-N 0 1 282.299 3.588 20 0 CHADMN COc1ccc(CN[C@H](c2cccc(C)c2)C(C)(C)C)nn1 ZINC000283175965 1127125241 /nfs/dbraw/zinc/12/52/41/1127125241.db2.gz PVCAHAPRHSORFT-QGZVFWFLSA-N 0 1 299.418 3.671 20 0 CHADMN COc1ccc(CN[C@@H](CC(C)(C)C)c2ccccc2)nn1 ZINC000283291683 1127129475 /nfs/dbraw/zinc/12/94/75/1127129475.db2.gz XZYRFSOCRLXZIA-INIZCTEOSA-N 0 1 299.418 3.752 20 0 CHADMN COCCN(Cc1cccnc1)Cc1cc(C)c(C)cc1C ZINC000349011717 1127138008 /nfs/dbraw/zinc/13/80/08/1127138008.db2.gz SDGJOCYHAWPYDE-UHFFFAOYSA-N 0 1 298.430 3.655 20 0 CHADMN CCCOc1cccc(CN(CC)Cc2ccncc2)c1 ZINC000348931456 1127134631 /nfs/dbraw/zinc/13/46/31/1127134631.db2.gz BLUACSAXVWDDEY-UHFFFAOYSA-N 0 1 284.403 3.893 20 0 CHADMN COc1ccc(CN[C@@H](C)c2csc(C)c2)c(OC)c1 ZINC000294290863 1129215414 /nfs/dbraw/zinc/21/54/14/1129215414.db2.gz UEEARRXJDIKNFU-LBPRGKRZSA-N 0 1 291.416 3.925 20 0 CHADMN Cc1cc(Cl)nc(CN[C@H](C)c2ccccc2)c1 ZINC000283496780 1127139650 /nfs/dbraw/zinc/13/96/50/1127139650.db2.gz LJMDXSBMLSRCIS-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN CC(C)(C)c1cnc(CN2CCC[C@@]2(C)CCCO)s1 ZINC000349132348 1127140425 /nfs/dbraw/zinc/14/04/25/1127140425.db2.gz RTSHTUUVJNAACE-INIZCTEOSA-N 0 1 296.480 3.568 20 0 CHADMN C[C@@]1(CCCO)CCCN1Cc1ccc(Cl)cc1F ZINC000349127543 1127141091 /nfs/dbraw/zinc/14/10/91/1127141091.db2.gz IUXZSTGXOZKYBR-HNNXBMFYSA-N 0 1 285.790 3.606 20 0 CHADMN Cc1nc2sccn2c1CN(C)[C@@H](C)c1ccccc1 ZINC000349542443 1127153050 /nfs/dbraw/zinc/15/30/50/1127153050.db2.gz MKDOBKKKACFPHV-ZDUSSCGKSA-N 0 1 285.416 3.897 20 0 CHADMN CC(=O)Nc1ccccc1CN(C)Cc1sccc1C ZINC000349543928 1127153239 /nfs/dbraw/zinc/15/32/39/1127153239.db2.gz JRYVTNDGWRXMCQ-UHFFFAOYSA-N 0 1 288.416 3.647 20 0 CHADMN CCc1ncc(CN(C)Cc2sccc2C)s1 ZINC000349565326 1127154093 /nfs/dbraw/zinc/15/40/93/1127154093.db2.gz VYQHIRHCEYILMU-UHFFFAOYSA-N 0 1 266.435 3.707 20 0 CHADMN Cc1cccc2ncc(CN(C)[C@@H](C)c3ccccc3)n21 ZINC000349545567 1127154433 /nfs/dbraw/zinc/15/44/33/1127154433.db2.gz QOHOUKMYIJCHAI-HNNXBMFYSA-N 0 1 279.387 3.836 20 0 CHADMN CO[C@@H](c1ccccc1)[C@H](C)NCc1noc2ccccc12 ZINC000570941614 1127149988 /nfs/dbraw/zinc/14/99/88/1127149988.db2.gz PJGNZWYFNRKKSY-SCLBCKFNSA-N 0 1 296.370 3.694 20 0 CHADMN Cc1ccc(CC[C@H](C)NCc2ncc(Cl)s2)o1 ZINC000349655814 1127156571 /nfs/dbraw/zinc/15/65/71/1127156571.db2.gz NHWNAYNTVYARDJ-VIFPVBQESA-N 0 1 284.812 3.809 20 0 CHADMN CCC1CCC(N(C)Cc2nccn2C(F)F)CC1 ZINC000349712670 1127158826 /nfs/dbraw/zinc/15/88/26/1127158826.db2.gz YSBZTIREHBTWAS-UHFFFAOYSA-N 0 1 271.355 3.679 20 0 CHADMN CC(C)c1nnc(CN2CC[C@@H]([C@H]3CCCC3(C)C)C2)o1 ZINC000646049273 1127159162 /nfs/dbraw/zinc/15/91/62/1127159162.db2.gz BVZFXSAPXOTRGY-ZIAGYGMSSA-N 0 1 291.439 3.841 20 0 CHADMN Fc1ccc(C[N@@H+](C/C=C/Cl)C2CCOCC2)cc1 ZINC000283890010 1127162305 /nfs/dbraw/zinc/16/23/05/1127162305.db2.gz FGGLZVFFHATVFF-UNXLUWIOSA-N 0 1 283.774 3.559 20 0 CHADMN CCCCCc1cc(C(=O)N2CCC[C@@H]3CCC[C@H]32)n[nH]1 ZINC000669226800 1127165098 /nfs/dbraw/zinc/16/50/98/1127165098.db2.gz VUAUEORSJINPTB-XJKSGUPXSA-N 0 1 289.423 3.547 20 0 CHADMN Cc1ccc(CN(Cc2ccccn2)C2CC2)c(C)c1 ZINC000349950539 1127169235 /nfs/dbraw/zinc/16/92/35/1127169235.db2.gz YAJIHHKCTKUZNS-UHFFFAOYSA-N 0 1 266.388 3.863 20 0 CHADMN CC[C@@H]1CCN([C@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000283999325 1127169238 /nfs/dbraw/zinc/16/92/38/1127169238.db2.gz GPTDNKNOUVGXNZ-CHWSQXEVSA-N 0 1 271.364 3.530 20 0 CHADMN CN(CCc1ccccc1Cl)Cc1cc2ccccn2n1 ZINC001237447689 1131099987 /nfs/dbraw/zinc/09/99/87/1131099987.db2.gz YAICQOBNHNAKGJ-UHFFFAOYSA-N 0 1 299.805 3.662 20 0 CHADMN FCCCCCN[C@H](c1nccs1)c1ccccc1 ZINC000284063807 1127172169 /nfs/dbraw/zinc/17/21/69/1127172169.db2.gz JUXXOQFBBWUMHV-AWEZNQCLSA-N 0 1 278.396 3.962 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCCC[C@H]2C(C)C)[nH]1 ZINC000284094476 1127174310 /nfs/dbraw/zinc/17/43/10/1127174310.db2.gz SVBLWYNHKKYDCO-HNNXBMFYSA-N 0 1 285.391 3.522 20 0 CHADMN CCn1ccnc1CN[C@@H](CC1CCC1)c1ccccc1 ZINC000350312287 1127177134 /nfs/dbraw/zinc/17/71/34/1127177134.db2.gz OFXRWGBEVLTQHK-KRWDZBQOSA-N 0 1 283.419 3.924 20 0 CHADMN CCc1cnc(CN2CC[C@H](c3ccc(CC)cc3)C2)o1 ZINC000571856928 1127179399 /nfs/dbraw/zinc/17/93/99/1127179399.db2.gz RDTABUQXADEMMS-INIZCTEOSA-N 0 1 284.403 3.789 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1ccc(CSC(F)F)o1 ZINC000816647290 1131118512 /nfs/dbraw/zinc/11/85/12/1131118512.db2.gz QJWGJYHXPWKCJP-DTWKUNHWSA-N 0 1 261.337 3.576 20 0 CHADMN C[C@H](NCc1ccc(OC2CCCC2)cc1)c1cn[nH]c1 ZINC000284360370 1127181396 /nfs/dbraw/zinc/18/13/96/1127181396.db2.gz ZHBHEUQPTJEUGN-ZDUSSCGKSA-N 0 1 285.391 3.582 20 0 CHADMN CC(C)(C)SCCN(Cc1ccccn1)C1CC1 ZINC000284377150 1127181720 /nfs/dbraw/zinc/18/17/20/1127181720.db2.gz LVBIBUWJYIWTAB-UHFFFAOYSA-N 0 1 264.438 3.578 20 0 CHADMN Cc1cc(CN[C@@H](CC2CCC2)c2ccccc2)nn1C ZINC000351094279 1127185571 /nfs/dbraw/zinc/18/55/71/1127185571.db2.gz CSNCYWWJUHEVER-SFHVURJKSA-N 0 1 283.419 3.750 20 0 CHADMN CC(C)Sc1cccc(Cl)c1CN1CCC[C@H](O)C1 ZINC000351490244 1127189803 /nfs/dbraw/zinc/18/98/03/1127189803.db2.gz FNCJUELPNFKMMN-LBPRGKRZSA-N 0 1 299.867 3.797 20 0 CHADMN Fc1ccc(-c2nc(CN[C@@H]3C=CCC3)cs2)cc1 ZINC000698194266 1127190356 /nfs/dbraw/zinc/19/03/56/1127190356.db2.gz DUPZGOFYYRDMIQ-CYBMUJFWSA-N 0 1 274.364 3.757 20 0 CHADMN CC(C)Cn1ccnc1NCc1cc2ccc(F)cc2[nH]1 ZINC000351550497 1127193039 /nfs/dbraw/zinc/19/30/39/1127193039.db2.gz LTZKWTSSLIDRLS-UHFFFAOYSA-N 0 1 286.354 3.772 20 0 CHADMN COCCN(Cc1ccco1)Cc1cccc(C)c1C ZINC000351580559 1127195201 /nfs/dbraw/zinc/19/52/01/1127195201.db2.gz DIABBDAVOPCSNN-UHFFFAOYSA-N 0 1 273.376 3.545 20 0 CHADMN C[C@@]1(CO)CCCN1Cc1nc(C2CCCCC2)cs1 ZINC000572229080 1127196629 /nfs/dbraw/zinc/19/66/29/1127196629.db2.gz VTBCLARELQCEQB-INIZCTEOSA-N 0 1 294.464 3.538 20 0 CHADMN CCc1nocc1CN1Cc2ccccc2C(C)(C)C1 ZINC000351609439 1127198111 /nfs/dbraw/zinc/19/81/11/1127198111.db2.gz UNLBKUAAENTGHL-UHFFFAOYSA-N 0 1 270.376 3.530 20 0 CHADMN CCc1ccccc1NC(=O)[C@H](C)N1CCC(C)(C)CC1 ZINC000588905005 1127203801 /nfs/dbraw/zinc/20/38/01/1127203801.db2.gz RNTMMGOBLVLSHQ-AWEZNQCLSA-N 0 1 288.435 3.698 20 0 CHADMN CCN(C(=O)CN(C)CC(C)(C)C)c1cc(C)cc(C)c1 ZINC000588901460 1127204152 /nfs/dbraw/zinc/20/41/52/1127204152.db2.gz DJXQKLBTFKXQDA-UHFFFAOYSA-N 0 1 290.451 3.634 20 0 CHADMN CC(C)(C)Oc1cccc(C[N@H+]2CCC3(CCC3)C2)n1 ZINC000351703612 1127204862 /nfs/dbraw/zinc/20/48/62/1127204862.db2.gz PNOXLCSBCCSXQA-UHFFFAOYSA-N 0 1 274.408 3.635 20 0 CHADMN CCN(c1ccc(N[C@H](C)c2cn[nH]c2)cc1)C(C)C ZINC000284853512 1127209658 /nfs/dbraw/zinc/20/96/58/1127209658.db2.gz AFQCILNAHODHPY-CYBMUJFWSA-N 0 1 272.396 3.818 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cnc(C)nc2)cc1C ZINC000351845073 1127210953 /nfs/dbraw/zinc/21/09/53/1127210953.db2.gz PYVQERFZHFXTMQ-GOSISDBHSA-N 0 1 281.403 3.739 20 0 CHADMN C[C@@H]1c2cc(F)cc(F)c2CCN1CCCCF ZINC000351883248 1127212633 /nfs/dbraw/zinc/21/26/33/1127212633.db2.gz UROPTNUKRHEEMK-SNVBAGLBSA-N 0 1 257.299 3.634 20 0 CHADMN c1nc(C2CCC2)sc1CN1CCCC2(CC2)C1 ZINC000351875597 1127213023 /nfs/dbraw/zinc/21/30/23/1127213023.db2.gz DABRRXKPZIPQBC-UHFFFAOYSA-N 0 1 262.422 3.787 20 0 CHADMN COc1ccc(CN2CCCC3(CC3)C2)c(Cl)c1OC ZINC000351875499 1127213121 /nfs/dbraw/zinc/21/31/21/1127213121.db2.gz BXJUUNIQGQNQBR-UHFFFAOYSA-N 0 1 295.810 3.733 20 0 CHADMN CCOC(=O)c1ccc(CNC/C(C)=C\c2ccccc2)o1 ZINC000589196332 1127215471 /nfs/dbraw/zinc/21/54/71/1127215471.db2.gz AZVGVSMPMVBXDB-KAMYIIQDSA-N 0 1 299.370 3.649 20 0 CHADMN CC[C@H](CSC)N(C)Cc1cscc1Cl ZINC000589206535 1127216214 /nfs/dbraw/zinc/21/62/14/1127216214.db2.gz QTNBMIHFTHVTPC-SNVBAGLBSA-N 0 1 263.859 3.975 20 0 CHADMN CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cc(F)cc(F)c2O)C1 ZINC001293133865 1127216963 /nfs/dbraw/zinc/21/69/63/1127216963.db2.gz GLESPWCCXFWLSG-ZYHUDNBSSA-N 0 1 297.345 3.615 20 0 CHADMN Cc1csc([C@@H]2CCCCN2CC[C@H](C)F)n1 ZINC000352131721 1127219680 /nfs/dbraw/zinc/21/96/80/1127219680.db2.gz VGIUHRIQBVBGQG-JQWIXIFHSA-N 0 1 256.390 3.727 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2C[C@H](c3cccc(F)c3)C2)no1 ZINC000285327908 1127223477 /nfs/dbraw/zinc/22/34/77/1127223477.db2.gz UDTCPQSCOKPOCM-WHOFXGATSA-N 0 1 274.339 3.719 20 0 CHADMN CCCC[C@H](C)[N@@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000572767616 1127226927 /nfs/dbraw/zinc/22/69/27/1127226927.db2.gz PDCCCYZRZSIDSO-NSHDSACASA-N 0 1 264.344 3.977 20 0 CHADMN Cc1cc2cc(CNCc3ccc(C)o3)ccc2[nH]1 ZINC000285455500 1127228941 /nfs/dbraw/zinc/22/89/41/1127228941.db2.gz JIIRMZQMNMNBIB-UHFFFAOYSA-N 0 1 254.333 3.668 20 0 CHADMN Cc1ccc(CN2C[C@@H](c3ccccc3)OC[C@H]2C)cc1 ZINC000589604896 1127229643 /nfs/dbraw/zinc/22/96/43/1127229643.db2.gz GLUZGOOKVRVUHY-APWZRJJASA-N 0 1 281.399 3.957 20 0 CHADMN CCOc1cccc2cc([C@H](C)NCc3cc(C)[nH]n3)oc21 ZINC000589638213 1127231457 /nfs/dbraw/zinc/23/14/57/1127231457.db2.gz PNLRQJLQWFYEPC-LBPRGKRZSA-N 0 1 299.374 3.714 20 0 CHADMN CCOc1cccc2cc([C@H](C)NCc3cc(C)n[nH]3)oc21 ZINC000589638213 1127231459 /nfs/dbraw/zinc/23/14/59/1127231459.db2.gz PNLRQJLQWFYEPC-LBPRGKRZSA-N 0 1 299.374 3.714 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000352425157 1127231436 /nfs/dbraw/zinc/23/14/36/1127231436.db2.gz XSXGZUUXCBYSBW-XYPHTWIQSA-N 0 1 289.394 3.920 20 0 CHADMN COc1ccc(F)cc1[C@H](C)NCc1[nH]nc2ccccc21 ZINC000589641067 1127232252 /nfs/dbraw/zinc/23/22/52/1127232252.db2.gz IKFVTCOIDWSLBG-NSHDSACASA-N 0 1 299.349 3.561 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNc2cnn(-c3ccncc3)c2)o1 ZINC000589650384 1127233480 /nfs/dbraw/zinc/23/34/80/1127233480.db2.gz NZCHWKNPNXOCLL-LRDDRELGSA-N 0 1 294.358 3.596 20 0 CHADMN Cc1ccc2nc(C[N@H+](C)C[C@@H](C)c3ccccc3)cn2c1 ZINC000589707614 1127235016 /nfs/dbraw/zinc/23/50/16/1127235016.db2.gz KVUCWJVXUPEUEG-MRXNPFEDSA-N 0 1 293.414 3.878 20 0 CHADMN Cc1ccc2nc(C[N@H+](C)C[C@H](C)c3ccccc3)cn2c1 ZINC000589707613 1127235161 /nfs/dbraw/zinc/23/51/61/1127235161.db2.gz KVUCWJVXUPEUEG-INIZCTEOSA-N 0 1 293.414 3.878 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2NCc1cnc2ccccc2n1 ZINC000589837759 1127236807 /nfs/dbraw/zinc/23/68/07/1127236807.db2.gz AMXQVMKRIWPVFX-MRXNPFEDSA-N 0 1 293.345 3.546 20 0 CHADMN Cc1nc(CSCc2cccc3ccccc32)n[nH]1 ZINC000589853629 1127237228 /nfs/dbraw/zinc/23/72/28/1127237228.db2.gz MDHLZAGVONVFQP-UHFFFAOYSA-N 0 1 269.373 3.700 20 0 CHADMN c1csc(CN[C@H](c2ncc[nH]2)C2CCCCC2)c1 ZINC000285687766 1127240871 /nfs/dbraw/zinc/24/08/71/1127240871.db2.gz OIKMDQDTSYVGOG-AWEZNQCLSA-N 0 1 275.421 3.882 20 0 CHADMN Cc1cc2cc(CN[C@@H](C)c3cnc(C)nc3C)ccc2[nH]1 ZINC000285671305 1127241065 /nfs/dbraw/zinc/24/10/65/1127241065.db2.gz MZXWIICLPCCMHU-LBPRGKRZSA-N 0 1 294.402 3.734 20 0 CHADMN CSCc1ccc(CN[C@@H](C)c2cncs2)cc1 ZINC000285716214 1127241278 /nfs/dbraw/zinc/24/12/78/1127241278.db2.gz PWUYHKGFDHTHCM-NSHDSACASA-N 0 1 278.446 3.857 20 0 CHADMN CC[C@@H](NCc1ccc(CSC)cc1)c1nccn1C ZINC000285718364 1127241818 /nfs/dbraw/zinc/24/18/18/1127241818.db2.gz PYDOZOCLOFETFM-OAHLLOKOSA-N 0 1 289.448 3.524 20 0 CHADMN COCC[C@H](NCc1ccc2occc2c1)c1ccco1 ZINC000285825284 1127243749 /nfs/dbraw/zinc/24/37/49/1127243749.db2.gz GXCOFNQMRUQBNW-HNNXBMFYSA-N 0 1 285.343 3.893 20 0 CHADMN CC(C)CCc1nc(CN[C@@H]2CSC[C@H]2C)cs1 ZINC000352800216 1127245194 /nfs/dbraw/zinc/24/51/94/1127245194.db2.gz HBRZFINCJAAOFU-DGCLKSJQSA-N 0 1 284.494 3.573 20 0 CHADMN CC[C@@H]1C[N@@H+](CCCOc2ccc3ccccc3c2)CCO1 ZINC000590058527 1127246871 /nfs/dbraw/zinc/24/68/71/1127246871.db2.gz NJFVUORASAMXLD-GOSISDBHSA-N 0 1 299.414 3.720 20 0 CHADMN CC[C@@H]1CN(CCCOc2ccc3ccccc3c2)CCO1 ZINC000590058527 1127246876 /nfs/dbraw/zinc/24/68/76/1127246876.db2.gz NJFVUORASAMXLD-GOSISDBHSA-N 0 1 299.414 3.720 20 0 CHADMN CCOC1CC(CN(CC)Cc2c(F)cccc2F)C1 ZINC000285909047 1127247280 /nfs/dbraw/zinc/24/72/80/1127247280.db2.gz HGSJGDXBDVZEEW-UHFFFAOYSA-N 0 1 283.362 3.602 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CCCC3(CCC3)C2)cc1Cl ZINC001237996217 1131159679 /nfs/dbraw/zinc/15/96/79/1131159679.db2.gz XJYJCWMCNQKKGC-UHFFFAOYSA-N 0 1 283.774 3.951 20 0 CHADMN COc1cc(C)cc(CN[C@@H](C)c2cc(C)ccn2)c1 ZINC000286002773 1127253212 /nfs/dbraw/zinc/25/32/12/1127253212.db2.gz HRPKYDRVEPSULF-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CCOC[C@@H](NCc1csc(-c2ccoc2)n1)C(C)C ZINC000286124219 1127259612 /nfs/dbraw/zinc/25/96/12/1127259612.db2.gz MIRFQHJGOCTUJV-CQSZACIVSA-N 0 1 294.420 3.554 20 0 CHADMN C[C@@H]1CCN(Cc2cc(-c3ccccc3)on2)CCS1 ZINC000286140992 1127261003 /nfs/dbraw/zinc/26/10/03/1127261003.db2.gz NDEIQEJXYBJLHD-CYBMUJFWSA-N 0 1 288.416 3.669 20 0 CHADMN Cc1cc2cc(CN[C@H](C)c3cncc(F)c3)ccc2[nH]1 ZINC000353133550 1127262753 /nfs/dbraw/zinc/26/27/53/1127262753.db2.gz FZWALAUHYBJHRU-GFCCVEGCSA-N 0 1 283.350 3.861 20 0 CHADMN CC[C@@H](C)CCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000286681472 1127272438 /nfs/dbraw/zinc/27/24/38/1127272438.db2.gz HWFVOQVAQIFRDC-MRVPVSSYSA-N 0 1 273.735 3.950 20 0 CHADMN Fc1cc(Br)ccc1CN1CCC[C@@H]1C1CC1 ZINC000590788374 1127273244 /nfs/dbraw/zinc/27/32/44/1127273244.db2.gz CGCSHFXDBIUMSB-CQSZACIVSA-N 0 1 298.199 3.963 20 0 CHADMN CN(Cc1ccsc1)Cc1cc(Cl)c(O)cc1F ZINC001238150887 1131174557 /nfs/dbraw/zinc/17/45/57/1131174557.db2.gz COERJGKDHUXEGP-UHFFFAOYSA-N 0 1 285.771 3.878 20 0 CHADMN Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2O)s1 ZINC000353895979 1127276444 /nfs/dbraw/zinc/27/64/44/1127276444.db2.gz PXGPJTKXFZBSLP-UHFFFAOYSA-N 0 1 285.727 3.807 20 0 CHADMN Cc1cc(C)n2c(CN3CCC[C@@H]4CCCC[C@@H]43)cnc2n1 ZINC000353898454 1127276493 /nfs/dbraw/zinc/27/64/93/1127276493.db2.gz KEERYZGUOSAPBV-RDJZCZTQSA-N 0 1 298.434 3.501 20 0 CHADMN COc1cccc2cc([C@H](C)NCc3cccnc3C)oc21 ZINC000590880854 1127276923 /nfs/dbraw/zinc/27/69/23/1127276923.db2.gz VCFJKDUSUZIYES-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H](c2nccn2C)C2CC2)s1 ZINC000353933168 1127280181 /nfs/dbraw/zinc/28/01/81/1127280181.db2.gz VBPQBXHBLPLBIH-ABAIWWIYSA-N 0 1 289.448 3.846 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000353932800 1127279261 /nfs/dbraw/zinc/27/92/61/1127279261.db2.gz TZPQXXAYAUXINB-PXNSSMCTSA-N 0 1 293.476 3.826 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2ccc([S@](C)=O)cc2)C1 ZINC000353932800 1127279263 /nfs/dbraw/zinc/27/92/63/1127279263.db2.gz TZPQXXAYAUXINB-PXNSSMCTSA-N 0 1 293.476 3.826 20 0 CHADMN CCc1cccc(Cl)c1CN(C)[C@@H]1CCCOC1 ZINC000573018610 1127280772 /nfs/dbraw/zinc/28/07/72/1127280772.db2.gz XTEPKBSZOHYDSN-CYBMUJFWSA-N 0 1 267.800 3.513 20 0 CHADMN c1coc(CNCc2cccc(OC3CCCC3)c2)c1 ZINC000032119480 1127281226 /nfs/dbraw/zinc/28/12/26/1127281226.db2.gz QXTPIWMDODDJJB-UHFFFAOYSA-N 0 1 271.360 3.891 20 0 CHADMN CC[C@H](NCc1ccc(CSC)cc1)c1ccn(C)n1 ZINC000353986274 1127283499 /nfs/dbraw/zinc/28/34/99/1127283499.db2.gz IDRHPMVQWQZFEC-HNNXBMFYSA-N 0 1 289.448 3.524 20 0 CHADMN Clc1cccc([C@@H]2CC[N@@H+](Cc3ccccn3)C2)c1 ZINC000354011451 1127285089 /nfs/dbraw/zinc/28/50/89/1127285089.db2.gz SFAAGNPGZUNEQP-CQSZACIVSA-N 0 1 272.779 3.725 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000573259197 1127304440 /nfs/dbraw/zinc/30/44/40/1127304440.db2.gz LOXXNXVQKANNQH-YOEHRIQHSA-N 0 1 295.382 3.763 20 0 CHADMN Cc1cc(CN2CCC23CCCCC3)ncc1Cl ZINC001238420455 1131197526 /nfs/dbraw/zinc/19/75/26/1131197526.db2.gz YQGDMPICGSJYES-UHFFFAOYSA-N 0 1 264.800 3.952 20 0 CHADMN CCC[C@@H](NCc1cnccc1OC)c1ccccc1 ZINC000287899874 1127314094 /nfs/dbraw/zinc/31/40/94/1127314094.db2.gz URMWOSNPYOOPMJ-MRXNPFEDSA-N 0 1 270.376 3.721 20 0 CHADMN CC(C)Oc1ccc(CN2CCC[C@H]3C[C@H]32)c(F)c1 ZINC001238449849 1131202855 /nfs/dbraw/zinc/20/28/55/1131202855.db2.gz NTLNAVWGHGUAPF-BLLLJJGKSA-N 0 1 263.356 3.597 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000573500312 1127316856 /nfs/dbraw/zinc/31/68/56/1127316856.db2.gz QMDOHZZSHVFOIM-ZFWWWQNUSA-N 0 1 299.370 3.746 20 0 CHADMN CSCCCCCCNCc1ncc(Cl)s1 ZINC000225381738 1127318605 /nfs/dbraw/zinc/31/86/05/1127318605.db2.gz UKFIKMGSLCIZMJ-UHFFFAOYSA-N 0 1 278.874 3.810 20 0 CHADMN COc1c(CN2CCC[C@@H](C)CC2)ccc(F)c1F ZINC001238467647 1131206542 /nfs/dbraw/zinc/20/65/42/1131206542.db2.gz VQTACQMIADZOKC-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN CC(C)C[N@H+]1Cc2cccc(NC(=O)C[C@@H]3C[C@@H]3C)c2C1 ZINC000355143931 1127320614 /nfs/dbraw/zinc/32/06/14/1127320614.db2.gz OQPIERKKUHLENG-ZFWWWQNUSA-N 0 1 286.419 3.643 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)C[C@@H]3C[C@@H]3C)c2C1 ZINC000355143931 1127320618 /nfs/dbraw/zinc/32/06/18/1127320618.db2.gz OQPIERKKUHLENG-ZFWWWQNUSA-N 0 1 286.419 3.643 20 0 CHADMN CCO[C@H](C)c1nc(CN2CC[C@@H]3CCC[C@@H]32)cs1 ZINC000355157484 1127321585 /nfs/dbraw/zinc/32/15/85/1127321585.db2.gz BVSAJUSHHJYHIB-DYEKYZERSA-N 0 1 280.437 3.615 20 0 CHADMN COc1cccc(C=C2CCN(Cc3ccn(C)c3)CC2)c1 ZINC000355163619 1127322343 /nfs/dbraw/zinc/32/23/43/1127322343.db2.gz MKHSIGSAGYTEEN-UHFFFAOYSA-N 0 1 296.414 3.713 20 0 CHADMN CC(=O)c1cccc(CN2CC[C@H](Oc3ccccc3)C2)c1 ZINC000573798451 1127328455 /nfs/dbraw/zinc/32/84/55/1127328455.db2.gz HITUBSFQEJJAMD-IBGZPJMESA-N 0 1 295.382 3.543 20 0 CHADMN Cc1nc([C@@H]2CCCN2C[C@H](O)CC2CCCC2)cs1 ZINC000355260142 1127328668 /nfs/dbraw/zinc/32/86/68/1127328668.db2.gz AIOIMACGHYLHFX-ZBFHGGJFSA-N 0 1 294.464 3.530 20 0 CHADMN Clc1ccc(OCCN2Cc3ccccc3C2)cc1 ZINC000592318101 1127342215 /nfs/dbraw/zinc/34/22/15/1127342215.db2.gz VRODJAPRJBWRCM-UHFFFAOYSA-N 0 1 273.763 3.735 20 0 CHADMN CC[C@@H]1CCC[C@@H](CNCc2nccc(C(F)F)n2)C1 ZINC000288475012 1127342336 /nfs/dbraw/zinc/34/23/36/1127342336.db2.gz PHHIAELFIIZSEE-VXGBXAGGSA-N 0 1 283.366 3.720 20 0 CHADMN COc1ccccc1[C@H]1CCCCN1Cc1ccccn1 ZINC000592330971 1127343470 /nfs/dbraw/zinc/34/34/70/1127343470.db2.gz NZOGPCUWDJQUCM-QGZVFWFLSA-N 0 1 282.387 3.817 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(C)o2)c(C)c1OC ZINC000288508535 1127344073 /nfs/dbraw/zinc/34/40/73/1127344073.db2.gz SOOOGTWFEDTNFB-ZDUSSCGKSA-N 0 1 289.375 3.764 20 0 CHADMN Cc1ccncc1CN(C)Cc1cc2cc(F)ccc2o1 ZINC000355588738 1127351531 /nfs/dbraw/zinc/35/15/31/1127351531.db2.gz YDQYZVIHEKWBIM-UHFFFAOYSA-N 0 1 284.334 3.907 20 0 CHADMN Cc1ccncc1CN(C)C/C=C\c1ccccc1 ZINC000355586203 1127351912 /nfs/dbraw/zinc/35/19/12/1127351912.db2.gz SWEWZDQQBHOIPX-TWGQIWQCSA-N 0 1 252.361 3.535 20 0 CHADMN CN(Cc1nccn1-c1ccccc1)[C@@H]1CCC(C)(C)C1 ZINC000355589521 1127351952 /nfs/dbraw/zinc/35/19/52/1127351952.db2.gz ZBBGNUJIZWMILO-MRXNPFEDSA-N 0 1 283.419 3.883 20 0 CHADMN CC(C)(C)OC(=O)C1(C)CCN(Cc2ccsc2)CC1 ZINC000592523618 1127352614 /nfs/dbraw/zinc/35/26/14/1127352614.db2.gz PLFQCPQGOXYNCQ-UHFFFAOYSA-N 0 1 295.448 3.692 20 0 CHADMN CCN(Cc1csc(-c2ccccn2)n1)CC1CCC1 ZINC000355611202 1127353323 /nfs/dbraw/zinc/35/33/23/1127353323.db2.gz SPNXMFZUXVZMLU-UHFFFAOYSA-N 0 1 287.432 3.827 20 0 CHADMN Cc1ccncc1CN(C)Cc1ccc2ncccc2c1 ZINC000355604054 1127353433 /nfs/dbraw/zinc/35/34/33/1127353433.db2.gz YVLCTBAQXJPSBI-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Cc1ccc(CNc2ccc(CN(C)C)c(Cl)c2)nc1 ZINC000355605469 1127353598 /nfs/dbraw/zinc/35/35/98/1127353598.db2.gz JLJZGSYZMHSAQT-UHFFFAOYSA-N 0 1 289.810 3.717 20 0 CHADMN CCC1(Cc2ccccc2)CCN(Cc2nccn2C)CC1 ZINC000355613791 1127354307 /nfs/dbraw/zinc/35/43/07/1127354307.db2.gz YOCQFFSPHLYBII-UHFFFAOYSA-N 0 1 297.446 3.655 20 0 CHADMN C[C@H](NCc1cccc(C(F)F)c1)c1cncs1 ZINC000783311253 1127364002 /nfs/dbraw/zinc/36/40/02/1127364002.db2.gz UGLUTBLBXQPMLE-VIFPVBQESA-N 0 1 268.332 3.932 20 0 CHADMN Cc1cc(NC[C@@H](C)C(F)(F)F)c2cc(F)ccc2n1 ZINC000355727338 1127360197 /nfs/dbraw/zinc/36/01/97/1127360197.db2.gz AKEKKZGXJYWTQW-MRVPVSSYSA-N 0 1 286.272 3.715 20 0 CHADMN CCCCc1nc2ccc(NC(=O)C3=CCC3)cc2[nH]1 ZINC000355743070 1127362312 /nfs/dbraw/zinc/36/23/12/1127362312.db2.gz NLYPKVPQSWNRIG-UHFFFAOYSA-N 0 1 269.348 3.564 20 0 CHADMN COC(=O)c1ccc(CN2CCC23CCCC3)cc1Cl ZINC000593037920 1127369106 /nfs/dbraw/zinc/36/91/06/1127369106.db2.gz FTJCLCFLIBCOIX-UHFFFAOYSA-N 0 1 293.794 3.645 20 0 CHADMN COC(=O)c1coc(CNC2(c3ccccc3C)CCC2)c1 ZINC000593038735 1127369275 /nfs/dbraw/zinc/36/92/75/1127369275.db2.gz GVSYSUPXLJWKBW-UHFFFAOYSA-N 0 1 299.370 3.544 20 0 CHADMN CSc1ccc(CN2CCC(OCC3CC3)CC2)s1 ZINC000356131162 1127375687 /nfs/dbraw/zinc/37/56/87/1127375687.db2.gz UAFKCPSUHLWKNM-UHFFFAOYSA-N 0 1 297.489 3.861 20 0 CHADMN CSC1(CN2Cc3cccc(Cl)c3C2)CCC1 ZINC000356305983 1127382019 /nfs/dbraw/zinc/38/20/19/1127382019.db2.gz QZOHKFDPOQYNBF-UHFFFAOYSA-N 0 1 267.825 3.941 20 0 CHADMN C[C@H](CN(C)Cc1nc(-c2ccoc2)no1)c1ccccc1 ZINC000357252657 1127387870 /nfs/dbraw/zinc/38/78/70/1127387870.db2.gz AVWBYTBHOCWICR-CYBMUJFWSA-N 0 1 297.358 3.565 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1cccnc1 ZINC000357241692 1127388271 /nfs/dbraw/zinc/38/82/71/1127388271.db2.gz YKSGUAQGUXYYNW-PTNGSMBKSA-N 0 1 252.361 3.617 20 0 CHADMN COC[C@@H](N[C@@H](C)c1cnccc1C)c1ccc(F)cc1 ZINC000358174156 1127406262 /nfs/dbraw/zinc/40/62/62/1127406262.db2.gz KQPQDIPFCCTOKE-SUMWQHHRSA-N 0 1 288.366 3.567 20 0 CHADMN COC[C@H](N[C@H](C)c1ccsc1)c1ccc(F)cc1 ZINC000358200565 1127408495 /nfs/dbraw/zinc/40/84/95/1127408495.db2.gz ITNSJLNIHNMWHA-ABAIWWIYSA-N 0 1 279.380 3.926 20 0 CHADMN CC[C@H](NC(=O)C(F)(F)C(F)F)c1cccc(Cl)c1 ZINC000226603757 1127411963 /nfs/dbraw/zinc/41/19/63/1127411963.db2.gz OYUQPEXXXASLMQ-VIFPVBQESA-N 0 1 297.679 3.808 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](C)c2ccc3ccccc3c2)n[nH]1 ZINC000358268502 1127412241 /nfs/dbraw/zinc/41/22/41/1127412241.db2.gz RXDRFSCPMBRNDO-STQMWFEESA-N 0 1 294.402 3.932 20 0 CHADMN COC(=O)c1ccc(CN2CCCC[C@H]2c2ccccc2)[nH]1 ZINC000358305123 1127414308 /nfs/dbraw/zinc/41/43/08/1127414308.db2.gz XEEIJUIXWPSGGA-KRWDZBQOSA-N 0 1 298.386 3.529 20 0 CHADMN CCc1ccc(C[NH2+]Cc2ccc([O-])c(Cl)c2)cc1 ZINC000226647075 1127415182 /nfs/dbraw/zinc/41/51/82/1127415182.db2.gz QVSHYBUPBAKUKY-UHFFFAOYSA-N 0 1 275.779 3.898 20 0 CHADMN COC(=O)c1ccc2c(c1)[C@@H](NCc1ccoc1C)CCC2 ZINC000594505308 1127419225 /nfs/dbraw/zinc/41/92/25/1127419225.db2.gz PTBSLQOOJHQMML-KRWDZBQOSA-N 0 1 299.370 3.542 20 0 CHADMN Cc1ccsc1[C@@H](CO)N[C@H](C)c1sc(C)nc1C ZINC000358407237 1127419759 /nfs/dbraw/zinc/41/97/59/1127419759.db2.gz TTYYEUXMERYRSX-ZYHUDNBSSA-N 0 1 296.461 3.514 20 0 CHADMN Cc1nnc(CN2CCC[C@@H]2CCC2CCCC2)s1 ZINC000358492934 1127423897 /nfs/dbraw/zinc/42/38/97/1127423897.db2.gz BMLOJMPPSLGYQI-CQSZACIVSA-N 0 1 279.453 3.781 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cc(F)ccc1F ZINC000358505573 1127424767 /nfs/dbraw/zinc/42/47/67/1127424767.db2.gz KFUNTJILCZQMLT-LLVKDONJSA-N 0 1 276.330 3.773 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@@H]1CCc2cccnc21 ZINC000226806740 1127426168 /nfs/dbraw/zinc/42/61/68/1127426168.db2.gz VBBDYZHWCPDBEB-XJKSGUPXSA-N 0 1 282.387 3.737 20 0 CHADMN CCC1CCC(N(C)C(=O)c2cccc3n[nH]cc32)CC1 ZINC000358604128 1127428660 /nfs/dbraw/zinc/42/86/60/1127428660.db2.gz DTJKGTMBTXIFCM-UHFFFAOYSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1nc2ccc(CSc3ncc4ccccn43)cc2[nH]1 ZINC000358849190 1127436606 /nfs/dbraw/zinc/43/66/06/1127436606.db2.gz DIHNEEHNIRBQDQ-UHFFFAOYSA-N 0 1 294.383 3.811 20 0 CHADMN Cc1c(Cl)cc(F)c(NCc2n[nH]c(C3CC3)n2)c1F ZINC000359002198 1127443460 /nfs/dbraw/zinc/44/34/60/1127443460.db2.gz LJAXECKOOYYGOD-UHFFFAOYSA-N 0 1 298.724 3.534 20 0 CHADMN C[C@@H]1CC[C@H](CN[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000359075493 1127448510 /nfs/dbraw/zinc/44/85/10/1127448510.db2.gz STDIUGHEZWCNMC-YCPHGPKFSA-N 0 1 269.392 3.525 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1cccn1C)[C@@H]2C ZINC000359302780 1127457247 /nfs/dbraw/zinc/45/72/47/1127457247.db2.gz UGKCNAMZDPFARD-ZIAGYGMSSA-N 0 1 284.403 3.542 20 0 CHADMN C[C@H](c1ccc(Br)cc1)N1CC[C@H]2C[C@H]21 ZINC000761093990 1127456396 /nfs/dbraw/zinc/45/63/96/1127456396.db2.gz MRSMDVCPIIZOGI-SUZMYJTESA-N 0 1 266.182 3.604 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@H](C)c1ccc(C)o1 ZINC000359308013 1127458121 /nfs/dbraw/zinc/45/81/21/1127458121.db2.gz VVYPJSPBLUOXDP-QWHCGFSZSA-N 0 1 258.365 3.957 20 0 CHADMN Cn1ncc2c1CCC[C@@H]2Nc1ccnc2cc(F)ccc21 ZINC000359450794 1127463697 /nfs/dbraw/zinc/46/36/97/1127463697.db2.gz YDAKHXWKGYVBPR-AWEZNQCLSA-N 0 1 296.349 3.597 20 0 CHADMN COc1cccc(CNc2cc3c(cn2)CCCC3)c1OC ZINC000359471385 1127464637 /nfs/dbraw/zinc/46/46/37/1127464637.db2.gz ZOZWFYSHPZGQKQ-UHFFFAOYSA-N 0 1 298.386 3.590 20 0 CHADMN C[C@H](CN(C)Cc1noc2c1CCCC2)c1ccccc1 ZINC000595564954 1127465650 /nfs/dbraw/zinc/46/56/50/1127465650.db2.gz WMWPLBPAFKFUOK-CQSZACIVSA-N 0 1 284.403 3.789 20 0 CHADMN CC[C@H]1CO[C@@H](C)CN1Cc1ccc(C(F)F)cc1 ZINC000359615772 1127470365 /nfs/dbraw/zinc/47/03/65/1127470365.db2.gz MCPKKLQLUUGRRL-FZMZJTMJSA-N 0 1 269.335 3.624 20 0 CHADMN CCOC(C)(C)CNc1ccnc2cc(F)c(OC)cc21 ZINC000359706442 1127474407 /nfs/dbraw/zinc/47/44/07/1127474407.db2.gz MEGDMNAMDNXXEQ-UHFFFAOYSA-N 0 1 292.354 3.610 20 0 CHADMN Clc1sccc1CNCCn1cnc2ccccc21 ZINC000359732543 1127475468 /nfs/dbraw/zinc/47/54/68/1127475468.db2.gz QYTWFNQXJDUXTC-UHFFFAOYSA-N 0 1 291.807 3.541 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H](CC(C)(C)C)c2ccccc2)c1C ZINC000359863670 1127480763 /nfs/dbraw/zinc/48/07/63/1127480763.db2.gz WWJAUSPQGKOZFU-OAHLLOKOSA-N 0 1 299.418 3.934 20 0 CHADMN C[C@@H]1COc2ccccc2CN1CCC(=O)c1ccccc1 ZINC000359862901 1127481141 /nfs/dbraw/zinc/48/11/41/1127481141.db2.gz RMHNJIWSIIKLTG-OAHLLOKOSA-N 0 1 295.382 3.543 20 0 CHADMN Brc1c[nH]c(CN2CCC[C@H]3CCC[C@H]32)c1 ZINC001231574089 1127482728 /nfs/dbraw/zinc/48/27/28/1127482728.db2.gz ICNXDXXTCVADRT-ZWNOBZJWSA-N 0 1 283.213 3.542 20 0 CHADMN Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccsc1 ZINC000360232094 1127493412 /nfs/dbraw/zinc/49/34/12/1127493412.db2.gz YNWHCLRCWLMGCV-UHFFFAOYSA-N 0 1 287.793 3.511 20 0 CHADMN Cc1csc([C@H](C)NCCC(=O)c2ccc(C)cc2)n1 ZINC000360249957 1127494116 /nfs/dbraw/zinc/49/41/16/1127494116.db2.gz NNONMCDLGSNTDD-ZDUSSCGKSA-N 0 1 288.416 3.684 20 0 CHADMN Cc1csc([C@@H](C)NCCC(=O)c2ccc(C)cc2)n1 ZINC000360249953 1127494199 /nfs/dbraw/zinc/49/41/99/1127494199.db2.gz NNONMCDLGSNTDD-CYBMUJFWSA-N 0 1 288.416 3.684 20 0 CHADMN Cc1cc(C(=O)Nc2cc3cn[nH]c3cc2C)sc1C ZINC000360416796 1127498948 /nfs/dbraw/zinc/49/89/48/1127498948.db2.gz MJSNTNGCQCERKY-UHFFFAOYSA-N 0 1 285.372 3.802 20 0 CHADMN Cc1nc([C@@H]2CCCN2CCCc2ccncc2)cs1 ZINC000360628339 1127503167 /nfs/dbraw/zinc/50/31/67/1127503167.db2.gz GSEDXMNEQPSTCL-INIZCTEOSA-N 0 1 287.432 3.616 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C1(c2ccccc2)CC1 ZINC000360441001 1127499566 /nfs/dbraw/zinc/49/95/66/1127499566.db2.gz DUIJOFAFLCHUQH-UHFFFAOYSA-N 0 1 291.354 3.542 20 0 CHADMN Cc1cccc(CN(CCC(C)(C)O)Cc2ccco2)c1 ZINC000360446634 1127499793 /nfs/dbraw/zinc/49/97/93/1127499793.db2.gz LYBJYCAHLRPUEH-UHFFFAOYSA-N 0 1 287.403 3.751 20 0 CHADMN C[C@@H]1CCCC[N@@H+](Cc2nc(C3CC3)cs2)C1 ZINC000360612435 1127502947 /nfs/dbraw/zinc/50/29/47/1127502947.db2.gz JNECMALHOVSPMP-LLVKDONJSA-N 0 1 250.411 3.643 20 0 CHADMN C[C@@H]1CCCCN(Cc2nc(C3CC3)cs2)C1 ZINC000360612435 1127502949 /nfs/dbraw/zinc/50/29/49/1127502949.db2.gz JNECMALHOVSPMP-LLVKDONJSA-N 0 1 250.411 3.643 20 0 CHADMN C[C@@H](c1ccsc1)N1CCN(Cc2ccccc2)CC1 ZINC000360623355 1127503611 /nfs/dbraw/zinc/50/36/11/1127503611.db2.gz XOMKYPLFVUMWOF-HNNXBMFYSA-N 0 1 286.444 3.627 20 0 CHADMN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc2cncn2c1 ZINC000360686846 1127506312 /nfs/dbraw/zinc/50/63/12/1127506312.db2.gz BKMIJZWKEKVLKI-ZFWWWQNUSA-N 0 1 299.418 3.621 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@H](C(F)(F)F)[C@@H]2C)s1 ZINC000360737510 1127508391 /nfs/dbraw/zinc/50/83/91/1127508391.db2.gz MMODQNGFCJLURP-ONGXEEELSA-N 0 1 292.370 3.923 20 0 CHADMN Cc1nocc1CN[C@H](c1ccccc1)C1CCC1 ZINC000293654481 1127510544 /nfs/dbraw/zinc/51/05/44/1127510544.db2.gz SQUGKTAJQYXYIU-MRXNPFEDSA-N 0 1 256.349 3.614 20 0 CHADMN CCc1noc(C)c1CN[C@@H](C)c1sccc1C ZINC000293659665 1127511306 /nfs/dbraw/zinc/51/13/06/1127511306.db2.gz ILQIAHKJWYGOQD-JTQLQIEISA-N 0 1 264.394 3.766 20 0 CHADMN CC1=CC[C@H](N[C@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000293731608 1127515601 /nfs/dbraw/zinc/51/56/01/1127515601.db2.gz WIMIDDDJXFJEEJ-HIFRSBDPSA-N 0 1 283.375 3.886 20 0 CHADMN Cc1cc(N[C@@H](C)Cc2ccncc2)c2cc(F)ccc2n1 ZINC000360871999 1127516422 /nfs/dbraw/zinc/51/64/22/1127516422.db2.gz NBVYGMGUTXJZHD-LBPRGKRZSA-N 0 1 295.361 3.542 20 0 CHADMN CC1(C)CCCN1Cc1cc(F)cc(Br)c1 ZINC000093994848 1127520504 /nfs/dbraw/zinc/52/05/04/1127520504.db2.gz HIHGRASQUAXFDV-UHFFFAOYSA-N 0 1 286.188 3.963 20 0 CHADMN Cc1ccoc1CN[C@H](C)c1ccccc1N(C)C ZINC000293800306 1127521666 /nfs/dbraw/zinc/52/16/66/1127521666.db2.gz UWZAIKVULBBPMU-CYBMUJFWSA-N 0 1 258.365 3.505 20 0 CHADMN CC[C@H](NCc1snnc1C)c1ccc(Cl)s1 ZINC000293833555 1127524079 /nfs/dbraw/zinc/52/40/79/1127524079.db2.gz WONYELBVAXLIBV-QMMMGPOBSA-N 0 1 287.841 3.802 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H](C)Oc2ccc(C)cc2)cs1 ZINC000361005715 1127529067 /nfs/dbraw/zinc/52/90/67/1127529067.db2.gz WSBRFXWTCAWDPV-QWHCGFSZSA-N 0 1 290.432 3.878 20 0 CHADMN CCO[C@@H]1C[C@@H](Nc2nccc(C)c2C2CC2)[C@@H]1SC ZINC000597190587 1127531163 /nfs/dbraw/zinc/53/11/63/1127531163.db2.gz FATVKDILSOANFI-NFAWXSAZSA-N 0 1 292.448 3.588 20 0 CHADMN CCN(Cc1cccnc1)Cc1ccccc1SC ZINC001231785484 1127533585 /nfs/dbraw/zinc/53/35/85/1127533585.db2.gz QLOPFPQMABVGII-UHFFFAOYSA-N 0 1 272.417 3.826 20 0 CHADMN Cc1nocc1CN1CCC(c2ccc(F)cc2C)CC1 ZINC000293948904 1127536142 /nfs/dbraw/zinc/53/61/42/1127536142.db2.gz OXLMVQNTFXEFGJ-UHFFFAOYSA-N 0 1 288.366 3.810 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CC[C@H](C)[S@@](=O)CC1 ZINC000361115148 1127539386 /nfs/dbraw/zinc/53/93/86/1127539386.db2.gz WHXWPELTJFNDPD-BXWFABGCSA-N 0 1 285.497 3.602 20 0 CHADMN COc1ccncc1CN[C@@H](c1ccc(C)cc1)C1CC1 ZINC000293978063 1127538333 /nfs/dbraw/zinc/53/83/33/1127538333.db2.gz BDVZVTDNLCAJOX-SFHVURJKSA-N 0 1 282.387 3.640 20 0 CHADMN c1nc(N[C@H]2CCCC23CCOCC3)cc2c1CCCC2 ZINC000361177428 1127544983 /nfs/dbraw/zinc/54/49/83/1127544983.db2.gz IDJUMKFAUHKAPA-INIZCTEOSA-N 0 1 286.419 3.722 20 0 CHADMN Cc1cncc([C@H](C)Nc2cc3c(cn2)CCCC3)c1 ZINC000361185009 1127545286 /nfs/dbraw/zinc/54/52/86/1127545286.db2.gz BEAPOHCDHUJFIJ-ZDUSSCGKSA-N 0 1 267.376 3.837 20 0 CHADMN Cc1nocc1CN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000294058884 1127546032 /nfs/dbraw/zinc/54/60/32/1127546032.db2.gz JUBQWSHMBVUCLQ-LBPRGKRZSA-N 0 1 274.364 3.621 20 0 CHADMN Cc1nc([C@@H](C)NCCSC(F)(F)F)c(C)s1 ZINC000228321005 1127548756 /nfs/dbraw/zinc/54/87/56/1127548756.db2.gz HKVKCPNMBRAUIZ-ZCFIWIBFSA-N 0 1 284.372 3.664 20 0 CHADMN COc1cc(Cl)ccc1CN1CCC2(CCC2)C1 ZINC000361282312 1127553098 /nfs/dbraw/zinc/55/30/98/1127553098.db2.gz QISIBUARMPTHAF-UHFFFAOYSA-N 0 1 265.784 3.725 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cncc(C(F)(F)F)c1 ZINC000361281198 1127553134 /nfs/dbraw/zinc/55/31/34/1127553134.db2.gz MULXUCNIWYYORZ-LLVKDONJSA-N 0 1 272.314 3.865 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccc(Cl)cc3)C2)co1 ZINC000659917472 1127555588 /nfs/dbraw/zinc/55/55/88/1127555588.db2.gz AMPDAHBFAULAQO-ZDUSSCGKSA-N 0 1 276.767 3.626 20 0 CHADMN CS[C@@H](CNCc1nc2cc(F)ccc2o1)C(C)(C)C ZINC000602014807 1127555681 /nfs/dbraw/zinc/55/56/81/1127555681.db2.gz GSEKRRUCNVLFAY-ZDUSSCGKSA-N 0 1 296.411 3.834 20 0 CHADMN FC(F)(F)c1cncc(CN2CCC[C@H]3CCC[C@@H]32)c1 ZINC000361320202 1127556897 /nfs/dbraw/zinc/55/68/97/1127556897.db2.gz YYAGNYHEZHBDQH-OCCSQVGLSA-N 0 1 284.325 3.865 20 0 CHADMN CN(Cc1nc2ccccc2o1)[C@H]1C[C@H]1c1ccccc1 ZINC000361325303 1127556911 /nfs/dbraw/zinc/55/69/11/1127556911.db2.gz RQLFCOUTCMXSIL-HOCLYGCPSA-N 0 1 278.355 3.816 20 0 CHADMN Cc1ccncc1CN(C)Cc1cccc(C(F)F)c1 ZINC000361409923 1127561661 /nfs/dbraw/zinc/56/16/61/1127561661.db2.gz JDTNGNPJFSPKIN-UHFFFAOYSA-N 0 1 276.330 3.960 20 0 CHADMN Cc1ccncc1CN(C)C[C@H]1CCC2(CCCCC2)O1 ZINC000361422458 1127562445 /nfs/dbraw/zinc/56/24/45/1127562445.db2.gz LXYPMYZJHNOODV-QGZVFWFLSA-N 0 1 288.435 3.704 20 0 CHADMN COCCN(Cc1ccsc1Cl)CC(C)C ZINC000361495605 1127567249 /nfs/dbraw/zinc/56/72/49/1127567249.db2.gz GEUJYVDXMMKBOX-UHFFFAOYSA-N 0 1 261.818 3.506 20 0 CHADMN C[C@@H]1CCN(Cc2nccn2-c2ccccc2)CC12CCC2 ZINC000361592943 1127575584 /nfs/dbraw/zinc/57/55/84/1127575584.db2.gz GAXXSDMSNJSZKL-MRXNPFEDSA-N 0 1 295.430 3.884 20 0 CHADMN CO[C@H](C)CN(Cc1ccsc1Cl)C(C)C ZINC000361557275 1127571586 /nfs/dbraw/zinc/57/15/86/1127571586.db2.gz PMGXLOKXUCSOHK-SNVBAGLBSA-N 0 1 261.818 3.647 20 0 CHADMN C(c1nc(C2CCCC2)no1)N(CC1CC1)CC1CCC1 ZINC000361571734 1127573256 /nfs/dbraw/zinc/57/32/56/1127573256.db2.gz OFEIPKYNQGJQHC-UHFFFAOYSA-N 0 1 289.423 3.739 20 0 CHADMN COCCN(Cc1csc(C2CC2)n1)[C@H]1CC[C@H](C)C1 ZINC000361640752 1127578463 /nfs/dbraw/zinc/57/84/63/1127578463.db2.gz VNWBSYXFTDRJAS-WFASDCNBSA-N 0 1 294.464 3.658 20 0 CHADMN C[C@@H]1CCc2nc(CN3CCSCC[C@H]3C)sc2C1 ZINC000361647649 1127579452 /nfs/dbraw/zinc/57/94/52/1127579452.db2.gz ZJVNKNNTLZQZGC-VXGBXAGGSA-N 0 1 296.505 3.595 20 0 CHADMN Cc1nc(C(C)C)ccc1CN[C@@H](C)c1ccccn1 ZINC000294561301 1127583085 /nfs/dbraw/zinc/58/30/85/1127583085.db2.gz LMMQPCARQSJZFO-AWEZNQCLSA-N 0 1 269.392 3.759 20 0 CHADMN Cc1cnccc1CN(Cc1ccc(F)cc1)C1CC1 ZINC000294562675 1127583139 /nfs/dbraw/zinc/58/31/39/1127583139.db2.gz MVKHFQMZYQGAPW-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN Fc1cccc(F)c1CN(CC1CCC1)C1CC1 ZINC000361931788 1127600279 /nfs/dbraw/zinc/60/02/79/1127600279.db2.gz YVPLKYRCZQZZRS-UHFFFAOYSA-N 0 1 251.320 3.729 20 0 CHADMN COc1cc(CCN[C@H](C)c2cc(C)on2)ccc1Cl ZINC000294890470 1127606073 /nfs/dbraw/zinc/60/60/73/1127606073.db2.gz DYHVMRYXNJXJQX-LLVKDONJSA-N 0 1 294.782 3.538 20 0 CHADMN Cc1cnccc1C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000294864607 1127604708 /nfs/dbraw/zinc/60/47/08/1127604708.db2.gz PSSVUSRIDVSTJR-ZDUSSCGKSA-N 0 1 256.349 3.709 20 0 CHADMN Cc1cnccc1CN([C@@H](C)c1ccco1)C1CC1 ZINC000294864607 1127604710 /nfs/dbraw/zinc/60/47/10/1127604710.db2.gz PSSVUSRIDVSTJR-ZDUSSCGKSA-N 0 1 256.349 3.709 20 0 CHADMN c1coc(-c2nc(CN3CC[C@H](C4CC4)C3)cs2)c1 ZINC000362067441 1127609146 /nfs/dbraw/zinc/60/91/46/1127609146.db2.gz QDSQGRAJQHEJBS-LBPRGKRZSA-N 0 1 274.389 3.635 20 0 CHADMN Cc1cnc(CNC[C@@H](C)Oc2cccc(Cl)c2)s1 ZINC000294936033 1127609440 /nfs/dbraw/zinc/60/94/40/1127609440.db2.gz BNIOIJPESMLASW-SNVBAGLBSA-N 0 1 296.823 3.662 20 0 CHADMN CSC1CCN(Cc2cccc(OC3CC3)c2F)CC1 ZINC000602727988 1127610247 /nfs/dbraw/zinc/61/02/47/1127610247.db2.gz UVPMIXOLPBIMPI-UHFFFAOYSA-N 0 1 295.423 3.694 20 0 CHADMN FC(F)(F)c1cnc(CN[C@H]2CCC[C@@H](C3CC3)C2)nc1 ZINC000294990118 1127612316 /nfs/dbraw/zinc/61/23/16/1127612316.db2.gz KNHOTIXZUXDNJI-YPMHNXCESA-N 0 1 299.340 3.554 20 0 CHADMN CCN(C(=O)c1c(O)cccc1F)c1ccc(C)cc1 ZINC000228842167 1127617602 /nfs/dbraw/zinc/61/76/02/1127617602.db2.gz GXHOZQDTYGJHNJ-UHFFFAOYSA-N 0 1 273.307 3.506 20 0 CHADMN COCCN(Cc1nc(C2CC2)cs1)[C@H]1CC[C@@H](C)C1 ZINC000362150803 1127614991 /nfs/dbraw/zinc/61/49/91/1127614991.db2.gz QICPFOFRLJXLDM-OCCSQVGLSA-N 0 1 294.464 3.658 20 0 CHADMN CC(C)=CCC[C@H](C)NCc1ncc(C(F)(F)F)cn1 ZINC000295087426 1127619398 /nfs/dbraw/zinc/61/93/98/1127619398.db2.gz SUQOIJIHUWPYPO-NSHDSACASA-N 0 1 287.329 3.720 20 0 CHADMN CN(Cc1ccsc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000295111525 1127621324 /nfs/dbraw/zinc/62/13/24/1127621324.db2.gz VDYNRNSBPNHZGA-AWEZNQCLSA-N 0 1 281.808 3.567 20 0 CHADMN CC1=C[C@@H](C)C[C@H](CNCc2ncc(C(F)(F)F)cn2)C1 ZINC000295131249 1127622041 /nfs/dbraw/zinc/62/20/41/1127622041.db2.gz YLGBXOZAMWIBGN-PWSUYJOCSA-N 0 1 299.340 3.577 20 0 CHADMN Cc1ccoc1CN1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000295138450 1127622591 /nfs/dbraw/zinc/62/25/91/1127622591.db2.gz ZJONDKQACNCGBL-MNOVXSKESA-N 0 1 261.287 3.751 20 0 CHADMN CCC1(CC)CN(Cc2ccncc2Cl)CCS1 ZINC000362250629 1127622756 /nfs/dbraw/zinc/62/27/56/1127622756.db2.gz NMSGIWPRJPGZOS-UHFFFAOYSA-N 0 1 284.856 3.843 20 0 CHADMN CC[C@H](C)CC(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000362258930 1127623487 /nfs/dbraw/zinc/62/34/87/1127623487.db2.gz CQHYGBPWRPXAAR-JTQLQIEISA-N 0 1 298.346 3.593 20 0 CHADMN COc1ccc(C)cc1CN[C@H](C)c1ccc2c(c1)CCO2 ZINC000060950913 1127625487 /nfs/dbraw/zinc/62/54/87/1127625487.db2.gz MBXYXKMNQOUYHD-CQSZACIVSA-N 0 1 297.398 3.789 20 0 CHADMN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cncc(Cl)c2)C1 ZINC000598591421 1127626842 /nfs/dbraw/zinc/62/68/42/1127626842.db2.gz AXAUDBNPCWFREY-KBPBESRZSA-N 0 1 284.856 3.841 20 0 CHADMN Cn1cc(CN2CC3(C2)CCCC3)c(-c2cccs2)n1 ZINC000362308133 1127626932 /nfs/dbraw/zinc/62/69/32/1127626932.db2.gz FOUAJNZQSFHXJX-UHFFFAOYSA-N 0 1 287.432 3.525 20 0 CHADMN CC[C@]1(C)CCCN([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000362389612 1127632362 /nfs/dbraw/zinc/63/23/62/1127632362.db2.gz BMCLUESCMAIQQH-RHSMWYFYSA-N 0 1 274.408 3.526 20 0 CHADMN c1cc(CN(Cc2ccccc2)C2CCC2)sn1 ZINC001232193599 1127634455 /nfs/dbraw/zinc/63/44/55/1127634455.db2.gz GTSMTARMIRHUFQ-UHFFFAOYSA-N 0 1 258.390 3.698 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC(OCC2CC2)CC1 ZINC000362437174 1127635500 /nfs/dbraw/zinc/63/55/00/1127635500.db2.gz IHBCCSMBHOALAQ-GFCCVEGCSA-N 0 1 295.373 3.917 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1C[C@H](C)CC[C@H]1C ZINC000362435080 1127635723 /nfs/dbraw/zinc/63/57/23/1127635723.db2.gz CQBAVXMIFWFSDV-CHWSQXEVSA-N 0 1 289.398 3.816 20 0 CHADMN COc1ccc(CN2CCc3c(C)cc(C)cc3C2)cc1O ZINC000362515096 1127641954 /nfs/dbraw/zinc/64/19/54/1127641954.db2.gz DBUQTIIYDLCKTH-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN COc1nccc(CN[C@H](CC2CCC2)c2ccccc2)n1 ZINC000295438891 1127643369 /nfs/dbraw/zinc/64/33/69/1127643369.db2.gz PGJIFJWGNBKLIJ-QGZVFWFLSA-N 0 1 297.402 3.506 20 0 CHADMN Cc1ccc(CN(Cc2conc2C)C(C)C)s1 ZINC000295446666 1127643419 /nfs/dbraw/zinc/64/34/19/1127643419.db2.gz UWIAJDGLZPBQJK-UHFFFAOYSA-N 0 1 264.394 3.764 20 0 CHADMN Fc1cccc(CC2CCN(Cc3cnsc3)CC2)c1 ZINC001232229148 1127643541 /nfs/dbraw/zinc/64/35/41/1127643541.db2.gz FNVVCKRCJGAYET-UHFFFAOYSA-N 0 1 290.407 3.737 20 0 CHADMN CC1(C)CCc2ccccc2[C@H](NCc2cnns2)C1 ZINC000295484302 1127644664 /nfs/dbraw/zinc/64/46/64/1127644664.db2.gz YWKNJRPOTNZEBK-OAHLLOKOSA-N 0 1 287.432 3.732 20 0 CHADMN CCn1cc([C@H](C)N[C@H](C)c2csc(C)c2)cn1 ZINC000295817079 1127654231 /nfs/dbraw/zinc/65/42/31/1127654231.db2.gz BMYOQQQEOOLPOV-NEPJUHHUSA-N 0 1 263.410 3.685 20 0 CHADMN CO[C@H]1CCN([C@@H](C)c2c(F)cccc2F)CC1(C)C ZINC000295855057 1127655929 /nfs/dbraw/zinc/65/59/29/1127655929.db2.gz DUSIVPOEDPFPFG-FZMZJTMJSA-N 0 1 283.362 3.773 20 0 CHADMN CC[C@@H](NCc1ccncc1C)c1ccc(F)cc1F ZINC000295876264 1127656708 /nfs/dbraw/zinc/65/67/08/1127656708.db2.gz XSGRKEIHQFZOHW-MRXNPFEDSA-N 0 1 276.330 3.909 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H](c1ccccc1)C1CC1 ZINC000295950047 1127657839 /nfs/dbraw/zinc/65/78/39/1127657839.db2.gz LIVQPFZPSXWSHJ-XJKSGUPXSA-N 0 1 269.392 3.705 20 0 CHADMN c1nc(CN2CCC[C@@H]2CCc2ccccc2)cs1 ZINC000363088375 1127660297 /nfs/dbraw/zinc/66/02/97/1127660297.db2.gz YICCADGNKGNVHF-MRXNPFEDSA-N 0 1 272.417 3.740 20 0 CHADMN Fc1cc(F)c2c(c1)[C@H](NCc1ccco1)CCC2 ZINC000296005767 1127660495 /nfs/dbraw/zinc/66/04/95/1127660495.db2.gz LGTCURHBEHMOCL-OAHLLOKOSA-N 0 1 263.287 3.725 20 0 CHADMN CC(C)c1ccc([C@H](C)N2CCCC3(C2)OCCO3)cc1 ZINC000784204979 1127661573 /nfs/dbraw/zinc/66/15/73/1127661573.db2.gz OCDNFUCRINODEY-HNNXBMFYSA-N 0 1 289.419 3.710 20 0 CHADMN C[C@H](c1ccncc1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000599200748 1127663275 /nfs/dbraw/zinc/66/32/75/1127663275.db2.gz FNARNMKSZFFUKO-OAHLLOKOSA-N 0 1 294.398 3.738 20 0 CHADMN c1cn2c(n1)[C@H](N[C@@H](CC1CCC1)c1ccccc1)CC2 ZINC000296235067 1127665968 /nfs/dbraw/zinc/66/59/68/1127665968.db2.gz APMPLCGZWQBLNC-SJORKVTESA-N 0 1 281.403 3.849 20 0 CHADMN CCCC[C@H](NCc1nccn1CC)c1ccccc1 ZINC000296321636 1129221437 /nfs/dbraw/zinc/22/14/37/1129221437.db2.gz GVXYJGQMVTWPBB-INIZCTEOSA-N 0 1 271.408 3.924 20 0 CHADMN CC/C=C(/C)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000061230612 1127667575 /nfs/dbraw/zinc/66/75/75/1127667575.db2.gz BLXARKDSMMWHJW-DZNGUJDPSA-N 0 1 297.402 3.891 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1CN[C@@H](c1ncc[nH]1)c1cccnc1 ZINC000296304602 1127668242 /nfs/dbraw/zinc/66/82/42/1127668242.db2.gz GBLZWKKESNMHFD-BFYDXBDKSA-N 0 1 298.434 3.700 20 0 CHADMN COc1ncc(CN[C@H]2CCCc3occc32)cc1Cl ZINC000296312986 1127668786 /nfs/dbraw/zinc/66/87/86/1127668786.db2.gz GLLRCXMMWNHQMQ-ZDUSSCGKSA-N 0 1 292.766 3.504 20 0 CHADMN Oc1cc(Cl)ccc1-c1nc(C2CC(F)(F)C2)no1 ZINC000296333710 1127668865 /nfs/dbraw/zinc/66/88/65/1127668865.db2.gz GLYRWEYHFOYAKU-UHFFFAOYSA-N 0 1 286.665 3.608 20 0 CHADMN CN(CCc1cscn1)Cc1ccc(Cl)s1 ZINC000296483291 1127673044 /nfs/dbraw/zinc/67/30/44/1127673044.db2.gz KPOPQIQSUNYPGR-UHFFFAOYSA-N 0 1 272.826 3.533 20 0 CHADMN CC(C)Cn1cc(CNc2ccc3cnccc3c2)cn1 ZINC000296595959 1127677634 /nfs/dbraw/zinc/67/76/34/1127677634.db2.gz QYTXDKZGKRBXPG-UHFFFAOYSA-N 0 1 280.375 3.699 20 0 CHADMN COC1CCC(Nc2ccc3cnccc3c2)CC1 ZINC000296595929 1127677775 /nfs/dbraw/zinc/67/77/75/1127677775.db2.gz QXBHVLJNUQTMEF-UHFFFAOYSA-N 0 1 256.349 3.604 20 0 CHADMN CCCCc1nc(CNc2ccc3cnccc3c2)no1 ZINC000296677702 1127681707 /nfs/dbraw/zinc/68/17/07/1127681707.db2.gz GHBOSQIVGAATIJ-UHFFFAOYSA-N 0 1 282.347 3.573 20 0 CHADMN Cc1cc(CNCc2cc(C)cc(Cl)n2)cs1 ZINC000296816474 1127683488 /nfs/dbraw/zinc/68/34/88/1127683488.db2.gz NESJVGSBOIHQKM-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN Cc1cc(CN2CCCC[C@H]2c2ccnn2C)cs1 ZINC000296673007 1127680789 /nfs/dbraw/zinc/68/07/89/1127680789.db2.gz GIJOBEHPIOBFDT-HNNXBMFYSA-N 0 1 275.421 3.517 20 0 CHADMN C[C@@H]1C[C@H](N2CCC(Cc3ccccc3)CC2)c2nccn21 ZINC000296865689 1127684680 /nfs/dbraw/zinc/68/46/80/1127684680.db2.gz NSNQLERIMLACNK-QAPCUYQASA-N 0 1 295.430 3.844 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@H](C)c1c[nH]nc1C ZINC000669705240 1127684851 /nfs/dbraw/zinc/68/48/51/1127684851.db2.gz JTCKLEHSIBMAOY-GHMZBOCLSA-N 0 1 275.421 3.852 20 0 CHADMN C[C@H]1[N@@H+](Cc2ccc(Cl)s2)CCC12CCOCC2 ZINC000363792394 1127685205 /nfs/dbraw/zinc/68/52/05/1127685205.db2.gz FXOBXDTUSWUGTA-LLVKDONJSA-N 0 1 285.840 3.793 20 0 CHADMN CCc1nn(C)c(CC)c1CN[C@H](C)c1csc(C)c1 ZINC000297112413 1127688778 /nfs/dbraw/zinc/68/87/78/1127688778.db2.gz YCUIRKOYHYQNQF-GFCCVEGCSA-N 0 1 291.464 3.766 20 0 CHADMN CC(C)Cc1noc(C[N@H+]2CCC[C@@H](C(C)C)CC2)n1 ZINC000604055226 1127691581 /nfs/dbraw/zinc/69/15/81/1127691581.db2.gz VXQXSNHIZJZICP-CQSZACIVSA-N 0 1 279.428 3.526 20 0 CHADMN CC(C)Cc1noc(CN2CCC[C@@H](C(C)C)CC2)n1 ZINC000604055226 1127691584 /nfs/dbraw/zinc/69/15/84/1127691584.db2.gz VXQXSNHIZJZICP-CQSZACIVSA-N 0 1 279.428 3.526 20 0 CHADMN CCC[C@H]1CCC[C@H]1C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000297227729 1127691673 /nfs/dbraw/zinc/69/16/73/1127691673.db2.gz TWTTUQOHDIHKEE-VHSXEESVSA-N 0 1 285.338 3.811 20 0 CHADMN Cn1ncc2c1CCC[C@H]2NCc1cc(C2CC2)ccc1F ZINC000297381581 1127694966 /nfs/dbraw/zinc/69/49/66/1127694966.db2.gz RDKQURCZQHOSBF-QGZVFWFLSA-N 0 1 299.393 3.604 20 0 CHADMN CN1CCN(c2ccnc3ccccc32)Cc2ccccc21 ZINC000599873981 1127695197 /nfs/dbraw/zinc/69/51/97/1127695197.db2.gz SMLJVGDSODOGHQ-UHFFFAOYSA-N 0 1 289.382 3.691 20 0 CHADMN CC1(c2ccccc2)CC(NCc2noc3c2CCCC3)C1 ZINC000297424719 1127696241 /nfs/dbraw/zinc/69/62/41/1127696241.db2.gz MSBKUUMQZRJOMW-UHFFFAOYSA-N 0 1 296.414 3.763 20 0 CHADMN Cc1cccc([C@H](C)N[C@H]2C[C@H](C)n3ccnc32)c1C ZINC000297526674 1127698188 /nfs/dbraw/zinc/69/81/88/1127698188.db2.gz DHUHMNGGXPBRPW-NOLJZWGESA-N 0 1 269.392 3.857 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2C[C@H](C)n3ccnc32)cc1C ZINC000297619553 1127701544 /nfs/dbraw/zinc/70/15/44/1127701544.db2.gz IUQGMBQWMCQZPU-DZKIICNBSA-N 0 1 269.392 3.857 20 0 CHADMN O=C(C[C@H]1CCc2ccccc21)Nc1ccc2nc[nH]c2c1 ZINC000604319943 1127701652 /nfs/dbraw/zinc/70/16/52/1127701652.db2.gz RHMXAMBURLLPGW-CYBMUJFWSA-N 0 1 291.354 3.622 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)C1CC1 ZINC000297682994 1127704014 /nfs/dbraw/zinc/70/40/14/1127704014.db2.gz LQHABHIBQQEQHS-KBRIMQKVSA-N 0 1 281.403 3.938 20 0 CHADMN c1cn2c(n1)[C@@H](N[C@H](c1ccccc1)C1CCCC1)CC2 ZINC000297722472 1127705569 /nfs/dbraw/zinc/70/55/69/1127705569.db2.gz NGDBHAOWOLNOCH-DLBZAZTESA-N 0 1 281.403 3.849 20 0 CHADMN CC[C@H](NCc1ccc(OC)c(O)c1)c1ccsc1 ZINC000297741374 1127706159 /nfs/dbraw/zinc/70/61/59/1127706159.db2.gz OABMPMGMWNZIOZ-ZDUSSCGKSA-N 0 1 277.389 3.703 20 0 CHADMN CCN(CCSC)[C@@H](C)c1ccc(F)cc1F ZINC000604503452 1127708600 /nfs/dbraw/zinc/70/86/00/1127708600.db2.gz UJDDCADDHMUVTC-JTQLQIEISA-N 0 1 259.365 3.711 20 0 CHADMN Oc1cccc(CN[C@H]2CCCc3nc(Cl)ccc32)c1 ZINC000297839478 1127710341 /nfs/dbraw/zinc/71/03/41/1127710341.db2.gz SIRIPGGNIKWFDK-AWEZNQCLSA-N 0 1 288.778 3.608 20 0 CHADMN Clc1ccccc1CN1CCC(c2ccncn2)CC1 ZINC000298065194 1127713894 /nfs/dbraw/zinc/71/38/94/1127713894.db2.gz GPBMVQCHNKRSBD-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN CCOC1(C)CCN(Cc2sccc2Cl)CC1 ZINC000298300688 1127718765 /nfs/dbraw/zinc/71/87/65/1127718765.db2.gz PPEUQLNWNIYGOL-UHFFFAOYSA-N 0 1 273.829 3.793 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1cc2cc(F)ccc2o1 ZINC000605124554 1127729681 /nfs/dbraw/zinc/72/96/81/1127729681.db2.gz SOMRVHUJIQHCHG-UHFFFAOYSA-N 0 1 295.273 3.701 20 0 CHADMN C[C@@H](Sc1nc(C2CC2)n[nH]1)c1ccc(F)c(F)c1 ZINC000299077897 1127739942 /nfs/dbraw/zinc/73/99/42/1127739942.db2.gz QYBIJRJZYWXJBQ-SSDOTTSWSA-N 0 1 281.331 3.814 20 0 CHADMN C[C@@H](Sc1n[nH]c(C2CC2)n1)c1ccc(F)c(F)c1 ZINC000299077897 1127739944 /nfs/dbraw/zinc/73/99/44/1127739944.db2.gz QYBIJRJZYWXJBQ-SSDOTTSWSA-N 0 1 281.331 3.814 20 0 CHADMN CC(C)c1nnc(-c2ccccc2NC(=O)C2CCCC2)[nH]1 ZINC000298923680 1127736350 /nfs/dbraw/zinc/73/63/50/1127736350.db2.gz BXEQQAAMOYVCNH-UHFFFAOYSA-N 0 1 298.390 3.724 20 0 CHADMN CC(C)OC[C@@H](C)N[C@@H](c1ccco1)c1ccccc1 ZINC000367042844 1127749282 /nfs/dbraw/zinc/74/92/82/1127749282.db2.gz KZTXMPXAGKHJEZ-RHSMWYFYSA-N 0 1 273.376 3.772 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCS[C@H]2CCCC[C@H]21 ZINC000366959181 1127749776 /nfs/dbraw/zinc/74/97/76/1127749776.db2.gz MVSLOHMDXDXFPM-CVEARBPZSA-N 0 1 293.480 3.632 20 0 CHADMN CC(C)n1ncc2c1[C@H](N[C@@H](C)c1cccc(O)c1)CCC2 ZINC000367021051 1127749804 /nfs/dbraw/zinc/74/98/04/1127749804.db2.gz CGTLYZCRFBBPLD-SUMWQHHRSA-N 0 1 299.418 3.898 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@@H](c3ccc(C)cc3)C2)s1 ZINC000367273536 1127752264 /nfs/dbraw/zinc/75/22/64/1127752264.db2.gz DTJKRVDWYQCKML-IUODEOHRSA-N 0 1 287.432 3.705 20 0 CHADMN Cc1cccc(C)c1CSc1nc(-c2cccnc2)n[nH]1 ZINC000606153402 1127752679 /nfs/dbraw/zinc/75/26/79/1127752679.db2.gz MITGKCNFOBPLOR-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN CC[C@@H](C)Sc1nnc(CCC2CCCC2)[nH]1 ZINC000606152669 1127753202 /nfs/dbraw/zinc/75/32/02/1127753202.db2.gz VANYDQBAVCDVER-SNVBAGLBSA-N 0 1 253.415 3.818 20 0 CHADMN CC[C@@H](C)Sc1nc(CCC2CCCC2)n[nH]1 ZINC000606152669 1127753206 /nfs/dbraw/zinc/75/32/06/1127753206.db2.gz VANYDQBAVCDVER-SNVBAGLBSA-N 0 1 253.415 3.818 20 0 CHADMN CCO[C@H](C)c1noc(CN2CCCC[C@@H]2[C@H](C)CC)n1 ZINC000606434335 1127762278 /nfs/dbraw/zinc/76/22/78/1127762278.db2.gz VBKKDIUSKORFRG-MGPQQGTHSA-N 0 1 295.427 3.568 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1CC(=O)Nc1ccccc1F ZINC000606434219 1127762376 /nfs/dbraw/zinc/76/23/76/1127762376.db2.gz QKOWAZQBSLGQOC-CZUORRHYSA-N 0 1 292.398 3.665 20 0 CHADMN CCN(Cc1csc(-c2ccoc2)n1)C1CCC1 ZINC000606434549 1127763019 /nfs/dbraw/zinc/76/30/19/1127763019.db2.gz RERZVDFIALIHJZ-UHFFFAOYSA-N 0 1 262.378 3.778 20 0 CHADMN CCc1cccc(CC)c1NC(=O)CN(CC)C1CCC1 ZINC000606434556 1127763434 /nfs/dbraw/zinc/76/34/34/1127763434.db2.gz SAHNFZNVSVGPKR-UHFFFAOYSA-N 0 1 288.435 3.624 20 0 CHADMN Cc1occc1CNCc1cccn1CCC(C)C ZINC000606469474 1127764594 /nfs/dbraw/zinc/76/45/94/1127764594.db2.gz HXPTVMSMKIRWLL-UHFFFAOYSA-N 0 1 260.381 3.725 20 0 CHADMN Cc1cc(CNCc2ccc(-c3ccc(C)cc3)o2)[nH]n1 ZINC000606470539 1127764646 /nfs/dbraw/zinc/76/46/46/1127764646.db2.gz CRFIBCYEAAPZJP-UHFFFAOYSA-N 0 1 281.359 3.576 20 0 CHADMN C[C@@H]1CC(C)(C)C[N@H+]1[C@H](C(=O)[O-])c1ccccc1Cl ZINC001326503051 1127765893 /nfs/dbraw/zinc/76/58/93/1127765893.db2.gz RZXFTKJJEMPVLK-MFKMUULPSA-N 0 1 281.783 3.586 20 0 CHADMN C[C@H](NCc1ccccc1-c1cnn(C)c1)c1ccco1 ZINC000371433524 1127766810 /nfs/dbraw/zinc/76/68/10/1127766810.db2.gz XCRWYRDBYYVADO-ZDUSSCGKSA-N 0 1 281.359 3.531 20 0 CHADMN CC[C@H]1CCCCCN1CC(=O)Nc1ccc(C)cc1F ZINC000606900844 1127781205 /nfs/dbraw/zinc/78/12/05/1127781205.db2.gz QYXXYCHNAZDMJG-AWEZNQCLSA-N 0 1 292.398 3.727 20 0 CHADMN CC[C@@H]1CCCCCN1CC(=O)Nc1ccc(C)cc1F ZINC000606900846 1127781380 /nfs/dbraw/zinc/78/13/80/1127781380.db2.gz QYXXYCHNAZDMJG-CQSZACIVSA-N 0 1 292.398 3.727 20 0 CHADMN CC(C)C[C@@H]1CCCCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000607129896 1127791649 /nfs/dbraw/zinc/79/16/49/1127791649.db2.gz CNFZRPDKDAKBJM-AWEZNQCLSA-N 0 1 291.439 3.964 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2csc(Br)c2)C1 ZINC000607155412 1127796557 /nfs/dbraw/zinc/79/65/57/1127796557.db2.gz UIHSTCZDBXBYIS-RKDXNWHRSA-N 0 1 274.227 3.741 20 0 CHADMN CC(C)[C@H](NCc1ccccc1F)c1ccccn1 ZINC000076902996 1127800323 /nfs/dbraw/zinc/80/03/23/1127800323.db2.gz WCNPAOXYXFHWAS-INIZCTEOSA-N 0 1 258.340 3.708 20 0 CHADMN CCc1ccc(NC(=O)CN2C[C@H](C)CC(C)(C)C2)cc1 ZINC001168422813 1127802642 /nfs/dbraw/zinc/80/26/42/1127802642.db2.gz BBRVCPWFUZDUIW-CQSZACIVSA-N 0 1 288.435 3.556 20 0 CHADMN CCc1ccccc1NC(=O)CN(C)CCCC(C)(C)C ZINC000410313617 1127803707 /nfs/dbraw/zinc/80/37/07/1127803707.db2.gz TYXINYAWBIGYJT-UHFFFAOYSA-N 0 1 290.451 3.946 20 0 CHADMN COc1cccc(CN[C@H]2COc3c2cccc3Cl)c1 ZINC000372676153 1127809116 /nfs/dbraw/zinc/80/91/16/1127809116.db2.gz SLWGRRDKFGHYTO-HNNXBMFYSA-N 0 1 289.762 3.572 20 0 CHADMN C[C@H](c1cn(-c2ccccc2)nn1)N1C[C@H](C)CC(C)(C)C1 ZINC001168423443 1127815527 /nfs/dbraw/zinc/81/55/27/1127815527.db2.gz KJEYVMSOKXTOHA-HUUCEWRRSA-N 0 1 298.434 3.696 20 0 CHADMN C[C@@H]1CCC[C@H](C)CN1Cc1nc(-c2cccs2)no1 ZINC000607742619 1127821923 /nfs/dbraw/zinc/82/19/23/1127821923.db2.gz WIAJUTXKYKAHIO-NWDGAFQWSA-N 0 1 291.420 3.809 20 0 CHADMN Cc1ccc([C@@H]2CSCCN2CCOCC2CC2)cc1 ZINC000607734871 1127822986 /nfs/dbraw/zinc/82/29/86/1127822986.db2.gz VLQRFODDHFCWFR-KRWDZBQOSA-N 0 1 291.460 3.512 20 0 CHADMN Fc1ccccc1-c1cnc(CN2C3CCC2CC3)o1 ZINC000607726084 1127825452 /nfs/dbraw/zinc/82/54/52/1127825452.db2.gz FENPYVMUSFIOBX-UHFFFAOYSA-N 0 1 272.323 3.608 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3c(F)cccc3Cl)C[C@@H]21 ZINC000607752966 1127827860 /nfs/dbraw/zinc/82/78/60/1127827860.db2.gz GBZSGKLNHGOXEO-PHIMTYICSA-N 0 1 253.748 3.567 20 0 CHADMN Clc1ccc2c(c1)OCCC[C@H]2NCc1ccoc1 ZINC000373212419 1127828547 /nfs/dbraw/zinc/82/85/47/1127828547.db2.gz PXQNPFQLVINSJF-CQSZACIVSA-N 0 1 277.751 3.937 20 0 CHADMN CC[C@H](NCc1cccc(F)c1F)c1ccncc1 ZINC000608058398 1127846400 /nfs/dbraw/zinc/84/64/00/1127846400.db2.gz PJHPJLCEONJEFA-AWEZNQCLSA-N 0 1 262.303 3.601 20 0 CHADMN CN(CCc1cncs1)Cc1ccc(F)cc1Cl ZINC000411267295 1127851000 /nfs/dbraw/zinc/85/10/00/1127851000.db2.gz BTEXIRWXDKZGOC-UHFFFAOYSA-N 0 1 284.787 3.610 20 0 CHADMN CC[C@@H](N[C@@H]1C[C@H]1c1cccc(F)c1)c1nccs1 ZINC000411518452 1127863319 /nfs/dbraw/zinc/86/33/19/1127863319.db2.gz PJFTVSXUFHTIJU-BFHYXJOUSA-N 0 1 276.380 3.879 20 0 CHADMN Cc1ccc(-c2cnc(CN3C4CCC3CC4)o2)cc1 ZINC000608492164 1127870342 /nfs/dbraw/zinc/87/03/42/1127870342.db2.gz OJKMHHGXUSNWLN-UHFFFAOYSA-N 0 1 268.360 3.777 20 0 CHADMN CCC(C)(C)CC[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000608492100 1127870748 /nfs/dbraw/zinc/87/07/48/1127870748.db2.gz GNNSQJMYQZWLFJ-UHFFFAOYSA-N 0 1 276.424 3.692 20 0 CHADMN CCC(C)(C)CCN(C)CC(=O)Nc1ccc(C)cc1 ZINC000608492100 1127870751 /nfs/dbraw/zinc/87/07/51/1127870751.db2.gz GNNSQJMYQZWLFJ-UHFFFAOYSA-N 0 1 276.424 3.692 20 0 CHADMN c1coc([C@H]2N(CCc3cncs3)CC23CCC3)c1 ZINC000411798431 1127874494 /nfs/dbraw/zinc/87/44/94/1127874494.db2.gz VKFAAFYXWFSWBP-CQSZACIVSA-N 0 1 274.389 3.506 20 0 CHADMN CCCN(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000374052593 1127871327 /nfs/dbraw/zinc/87/13/27/1127871327.db2.gz VXMWIIDPKDSQJA-HNNXBMFYSA-N 0 1 275.783 3.561 20 0 CHADMN Fc1ccc(-n2ccc(CN3C4CCCC3CCC4)n2)cc1 ZINC000608499164 1127871547 /nfs/dbraw/zinc/87/15/47/1127871547.db2.gz BMGHHMJTIMOYEI-UHFFFAOYSA-N 0 1 299.393 3.918 20 0 CHADMN Fc1cccc(-n2ccc(CN3C4CCCC3CCC4)n2)c1 ZINC000608498872 1127872072 /nfs/dbraw/zinc/87/20/72/1127872072.db2.gz FWKXZKGNFYTBRL-UHFFFAOYSA-N 0 1 299.393 3.918 20 0 CHADMN C[C@@]1(F)CCCN(Cc2c[nH]c3cc(Cl)ncc23)C1 ZINC001232819196 1127872597 /nfs/dbraw/zinc/87/25/97/1127872597.db2.gz UQNMVBSERDWILH-CQSZACIVSA-N 0 1 281.762 3.540 20 0 CHADMN Cc1ccccc1-c1noc(CN2C[C@H](C)CC[C@H]2C)n1 ZINC000608511196 1127874099 /nfs/dbraw/zinc/87/40/99/1127874099.db2.gz DZKJJROARUGYFK-TZMCWYRMSA-N 0 1 285.391 3.665 20 0 CHADMN CCC(CC)C(=O)N1CCN(CCC2CCCCC2)CC1 ZINC000608560173 1127876029 /nfs/dbraw/zinc/87/60/29/1127876029.db2.gz RDHNUWCMSNBFJJ-UHFFFAOYSA-N 0 1 294.483 3.537 20 0 CHADMN Cc1cc(CN2CC[C@@H](c3ccccc3)C[C@@H]2C)no1 ZINC000374171665 1127876802 /nfs/dbraw/zinc/87/68/02/1127876802.db2.gz DGFZZYKUBSGDHY-XJKSGUPXSA-N 0 1 270.376 3.751 20 0 CHADMN Cc1noc(CN(C)[C@@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000411999251 1127886001 /nfs/dbraw/zinc/88/60/01/1127886001.db2.gz QKPUIMUAINRZQO-HZPDHXFCSA-N 0 1 285.391 3.536 20 0 CHADMN COc1ccc(CN(C)Cc2ncccc2C)cc1Cl ZINC000412024118 1127888553 /nfs/dbraw/zinc/88/85/53/1127888553.db2.gz BILFKCNQQZBWKL-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1coc(-c2ccccc2)n1 ZINC000412037405 1127889637 /nfs/dbraw/zinc/88/96/37/1127889637.db2.gz HQXFVLYUPWPEMV-ZDUSSCGKSA-N 0 1 270.376 3.962 20 0 CHADMN CN(Cc1cnns1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000412017684 1127889808 /nfs/dbraw/zinc/88/98/08/1127889808.db2.gz ZXBIOYHXBRIGBO-JKSUJKDBSA-N 0 1 287.432 3.696 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC(C)(C)C[C@H]2C)c(F)c1 ZINC000412036860 1127890862 /nfs/dbraw/zinc/89/08/62/1127890862.db2.gz HGEXCLSQNYDHHH-CHWSQXEVSA-N 0 1 292.398 3.582 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N2CC(C)(C)C[C@H]2C)c(F)c1 ZINC000412036860 1127890864 /nfs/dbraw/zinc/89/08/64/1127890864.db2.gz HGEXCLSQNYDHHH-CHWSQXEVSA-N 0 1 292.398 3.582 20 0 CHADMN CCCC[C@H](C)C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000374387888 1127894849 /nfs/dbraw/zinc/89/48/49/1127894849.db2.gz PVDIIGHURUQADP-ZDUSSCGKSA-N 0 1 286.419 3.929 20 0 CHADMN COc1cc(C)c(C)cc1CN(C)CCOc1ccccc1 ZINC001238763171 1131241689 /nfs/dbraw/zinc/24/16/89/1131241689.db2.gz JNKAUTZENKLNIE-UHFFFAOYSA-N 0 1 299.414 3.823 20 0 CHADMN Cc1oc([C@H](C)[N@H+](C)Cc2ccccc2F)cc1C(=O)[O-] ZINC000516932615 1127899367 /nfs/dbraw/zinc/89/93/67/1127899367.db2.gz WMYATHBETNDAKD-JTQLQIEISA-N 0 1 291.322 3.618 20 0 CHADMN Cc1oc([C@H](C)[N@@H+](C)Cc2ccccc2F)cc1C(=O)[O-] ZINC000516932615 1127899372 /nfs/dbraw/zinc/89/93/72/1127899372.db2.gz WMYATHBETNDAKD-JTQLQIEISA-N 0 1 291.322 3.618 20 0 CHADMN Cc1oc([C@H](C)[N@H+]2CC[C@@H](C)C(C)(C)C2)cc1C(=O)[O-] ZINC000517750628 1127906168 /nfs/dbraw/zinc/90/61/68/1127906168.db2.gz QHNSVNNSZWNRST-MNOVXSKESA-N 0 1 279.380 3.715 20 0 CHADMN CCOC1(C)CCN(Cc2c(Cl)cccc2OC)CC1 ZINC000428761299 1127902843 /nfs/dbraw/zinc/90/28/43/1127902843.db2.gz UUINIHSFUHRXHD-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN CCC1(CC)CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000086472668 1127910708 /nfs/dbraw/zinc/91/07/08/1127910708.db2.gz RAAZNZPXVBTLGI-UHFFFAOYSA-N 0 1 285.391 3.605 20 0 CHADMN FC(F)(F)C1=CCN(CCSc2ccccc2)CC1 ZINC000535281238 1127911227 /nfs/dbraw/zinc/91/12/27/1127911227.db2.gz PMNKQEYDALWLQD-UHFFFAOYSA-N 0 1 287.350 3.973 20 0 CHADMN CCOC[C@@H]1CCCN([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000175233933 1127913256 /nfs/dbraw/zinc/91/32/56/1127913256.db2.gz MXFHMIHLPCZFHP-UONOGXRCSA-N 0 1 294.439 3.782 20 0 CHADMN CC(C)(C)CC(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000374829636 1127915268 /nfs/dbraw/zinc/91/52/68/1127915268.db2.gz UUTJGEWSFQYGMX-UHFFFAOYSA-N 0 1 272.392 3.539 20 0 CHADMN O=C(CC1=CCCCC1)Nc1cccc2c1CN(C1CC1)C2 ZINC000374839121 1127916285 /nfs/dbraw/zinc/91/62/85/1127916285.db2.gz VSVDNDCULXSJRU-UHFFFAOYSA-N 0 1 296.414 3.994 20 0 CHADMN CCn1cc(CN[C@@H](c2ccccc2)C2CCCCC2)nn1 ZINC000404506071 1127924816 /nfs/dbraw/zinc/92/48/16/1127924816.db2.gz LXDJPNSCRKLNOX-SFHVURJKSA-N 0 1 298.434 3.709 20 0 CHADMN C[C@@H](N[C@@H](C)C(=O)N1[C@H](C)CCC[C@H]1C)c1ccsc1 ZINC000669828802 1127927402 /nfs/dbraw/zinc/92/74/02/1127927402.db2.gz RWTKBSGGXVVXNO-SYQHCUMBSA-N 0 1 294.464 3.577 20 0 CHADMN C[C@H]1CCCC[C@]1(C)NCc1nc(Cc2ccccc2)no1 ZINC000308692364 1127931489 /nfs/dbraw/zinc/93/14/89/1127931489.db2.gz ASZFXOPHOFXBSS-KSSFIOAISA-N 0 1 299.418 3.719 20 0 CHADMN COc1cc(C)nc(-c2nc3ccc(C)c(C)c3[nH]2)c1 ZINC000539610711 1127932698 /nfs/dbraw/zinc/93/26/98/1127932698.db2.gz OWSQFWLCJPYQAU-UHFFFAOYSA-N 0 1 267.332 3.559 20 0 CHADMN COc1cccc(CN2CC[C@H](OCC(C)C)C2)c1Cl ZINC000660001997 1127932751 /nfs/dbraw/zinc/93/27/51/1127932751.db2.gz AFAMOHDDGFIQDI-AWEZNQCLSA-N 0 1 297.826 3.596 20 0 CHADMN COc1cccc(CN2CC[C@@H](OCC(C)C)C2)c1Cl ZINC000660001998 1127932884 /nfs/dbraw/zinc/93/28/84/1127932884.db2.gz AFAMOHDDGFIQDI-CQSZACIVSA-N 0 1 297.826 3.596 20 0 CHADMN Cc1ccc2nc(S[C@H]3CCOC(C)(C)C3)[nH]c2c1 ZINC000412980387 1127934838 /nfs/dbraw/zinc/93/48/38/1127934838.db2.gz RZLVPJXGHYHCIW-NSHDSACASA-N 0 1 276.405 3.921 20 0 CHADMN Cc1nc([C@@H](C)SCCCc2ccccc2)n[nH]1 ZINC000412998142 1127937093 /nfs/dbraw/zinc/93/70/93/1127937093.db2.gz XCZVOOIWEDHVHH-LLVKDONJSA-N 0 1 261.394 3.540 20 0 CHADMN CC(=O)[C@H](C)SCc1cccc(CN2CCCCC2)c1 ZINC000413000071 1127937345 /nfs/dbraw/zinc/93/73/45/1127937345.db2.gz OCKWXPPINNIRQB-HNNXBMFYSA-N 0 1 291.460 3.883 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1cnc(C2CC2)s1 ZINC000539838101 1127943948 /nfs/dbraw/zinc/94/39/48/1127943948.db2.gz IRRSPHHMDCKHDG-GFCCVEGCSA-N 0 1 284.428 3.967 20 0 CHADMN CCn1c2ccccc2nc1C[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000539829213 1127945440 /nfs/dbraw/zinc/94/54/40/1127945440.db2.gz LLXXGIAWTYEYHT-KBPBESRZSA-N 0 1 271.408 3.534 20 0 CHADMN CCn1c2ccccc2nc1CN1CC[C@H](C)[C@@H](C)C1 ZINC000539829213 1127945445 /nfs/dbraw/zinc/94/54/45/1127945445.db2.gz LLXXGIAWTYEYHT-KBPBESRZSA-N 0 1 271.408 3.534 20 0 CHADMN CCOc1cc(CN2CCC(C)(C)C2)cc(Cl)c1OC ZINC000539834714 1127946477 /nfs/dbraw/zinc/94/64/77/1127946477.db2.gz LNXYUMXAQMQDNK-UHFFFAOYSA-N 0 1 297.826 3.979 20 0 CHADMN CCCOc1cccc(CN2CCOCC23CCCC3)c1 ZINC000539861388 1127948425 /nfs/dbraw/zinc/94/84/25/1127948425.db2.gz ODDCVDGDDZVGEN-UHFFFAOYSA-N 0 1 289.419 3.620 20 0 CHADMN COc1ccc(CN2[C@H](C)CC[C@@H]2C)cc1Br ZINC000539908392 1127953562 /nfs/dbraw/zinc/95/35/62/1127953562.db2.gz UHKQVPDKMTXRSP-PHIMTYICSA-N 0 1 298.224 3.831 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N[C@H](C)c1ncc(C)o1 ZINC000462796781 1127955935 /nfs/dbraw/zinc/95/59/35/1127955935.db2.gz WTFZKTAREIFHJB-ZBFHGGJFSA-N 0 1 272.392 3.963 20 0 CHADMN CCC[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000467182077 1127958525 /nfs/dbraw/zinc/95/85/25/1127958525.db2.gz RFLKSHORYXRNEM-AWEZNQCLSA-N 0 1 297.402 3.729 20 0 CHADMN CO[C@@H]1CN([C@@H](C)c2cccc(Cl)c2F)CC[C@H]1C ZINC000467297852 1127963895 /nfs/dbraw/zinc/96/38/95/1127963895.db2.gz KPDMRCJXPONRRY-UHIISALHSA-N 0 1 285.790 3.897 20 0 CHADMN C[C@H]1CN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC(C)(C)C1 ZINC000544320480 1127967922 /nfs/dbraw/zinc/96/79/22/1127967922.db2.gz UCGYMWBXSGFFEL-CYBMUJFWSA-N 0 1 297.402 3.585 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](CO)c2cccc(F)c2)s1 ZINC000540186580 1127968399 /nfs/dbraw/zinc/96/83/99/1127968399.db2.gz ZFHBBWKUAFACAO-ABAIWWIYSA-N 0 1 293.407 3.834 20 0 CHADMN c1ccc([C@@H]2C[C@H]2CN2CCOC[C@H]2c2ccccc2)cc1 ZINC000463098226 1127972519 /nfs/dbraw/zinc/97/25/19/1127972519.db2.gz YNZWWLURWDTHSQ-UFYCRDLUSA-N 0 1 293.410 3.864 20 0 CHADMN CC[C@H](NCc1ccc(C(C)(C)C)cc1)c1ccn(C)n1 ZINC000544570005 1127977018 /nfs/dbraw/zinc/97/70/18/1127977018.db2.gz MGMXHKCCAUTCNE-INIZCTEOSA-N 0 1 285.435 3.959 20 0 CHADMN CCC[C@H](C)CN(C)Cc1nc2c(s1)CCCC2 ZINC000540483067 1127979925 /nfs/dbraw/zinc/97/99/25/1127979925.db2.gz HEZCLJZCABBEMI-LBPRGKRZSA-N 0 1 266.454 3.890 20 0 CHADMN CCC[C@@H](C)CN1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000540497557 1127981398 /nfs/dbraw/zinc/98/13/98/1127981398.db2.gz WBESGGLYHYBJBQ-RHSMWYFYSA-N 0 1 277.408 3.505 20 0 CHADMN Cc1cccc(C)c1[C@@H](C)NCc1cn2ccsc2n1 ZINC000544895046 1127988073 /nfs/dbraw/zinc/98/80/73/1127988073.db2.gz DCWFOGKBAVTYMV-CYBMUJFWSA-N 0 1 285.416 3.863 20 0 CHADMN CC1CCC(C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000380637357 1127989951 /nfs/dbraw/zinc/98/99/51/1127989951.db2.gz JOZLVUUNMXNKJE-UHFFFAOYSA-N 0 1 273.376 3.527 20 0 CHADMN CC(C)c1noc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)n1 ZINC000544938363 1127991494 /nfs/dbraw/zinc/99/14/94/1127991494.db2.gz BVFYTPKKWDTSJP-UHFFFAOYSA-N 0 1 288.738 3.904 20 0 CHADMN C[C@@H](c1noc(-c2cc(-c3ccoc3)n[nH]2)n1)C(C)(C)C ZINC000544946087 1127992189 /nfs/dbraw/zinc/99/21/89/1127992189.db2.gz DOVOIXLROHIULH-VIFPVBQESA-N 0 1 286.335 3.869 20 0 CHADMN C[C@H](c1noc(-c2cc(-c3ccoc3)n[nH]2)n1)C(C)(C)C ZINC000544946086 1127992198 /nfs/dbraw/zinc/99/21/98/1127992198.db2.gz DOVOIXLROHIULH-SECBINFHSA-N 0 1 286.335 3.869 20 0 CHADMN CC[C@@]1(C)CCN([C@H](C)C(=O)Nc2cc(F)ccc2C)C1 ZINC000468115061 1127992623 /nfs/dbraw/zinc/99/26/23/1127992623.db2.gz KGHMLYCUDRCSJE-DYVFJYSZSA-N 0 1 292.398 3.583 20 0 CHADMN CC[C@]1(C)CCN(CC(=O)Nc2ccc(Cl)cc2C)C1 ZINC000468125619 1127994237 /nfs/dbraw/zinc/99/42/37/1127994237.db2.gz UWNQSOFIUOBBHE-MRXNPFEDSA-N 0 1 294.826 3.709 20 0 CHADMN CC[C@]1(C)CCN([C@@H](C)C(=O)Nc2ccc(C)cc2F)C1 ZINC000468148517 1127995167 /nfs/dbraw/zinc/99/51/67/1127995167.db2.gz IJMZIIPMDUIXPX-SUMWQHHRSA-N 0 1 292.398 3.583 20 0 CHADMN C[C@@H]1OCC[C@]1(C)NCc1c(Cl)cccc1Cl ZINC000300424124 1128000706 /nfs/dbraw/zinc/00/07/06/1128000706.db2.gz YGHKVFLRDNRUAT-ZANVPECISA-N 0 1 274.191 3.651 20 0 CHADMN CC(C)(CC[N@H+]1CCCC[C@H]1CCC(=O)[O-])C1CC1 ZINC000406107570 1128010408 /nfs/dbraw/zinc/01/04/08/1128010408.db2.gz LJONPFHTBBQFCT-AWEZNQCLSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1ncc([C@H](C)NCc2c(C)cccc2F)s1 ZINC000761449422 1128014815 /nfs/dbraw/zinc/01/48/15/1128014815.db2.gz BMDKQHKKZYWZHJ-JTQLQIEISA-N 0 1 264.369 3.750 20 0 CHADMN CC[C@@H](CC(F)(F)F)c1nc(C2(N)CCCCC2)no1 ZINC000402596773 1128016120 /nfs/dbraw/zinc/01/61/20/1128016120.db2.gz BRHYIHRMMFEFFX-VIFPVBQESA-N 0 1 291.317 3.634 20 0 CHADMN FCCn1cc(CN2CCCCC[C@@H]2c2ccco2)cn1 ZINC000929675637 1128017466 /nfs/dbraw/zinc/01/74/66/1128017466.db2.gz GUFSZZAJQZKRFG-OAHLLOKOSA-N 0 1 291.370 3.563 20 0 CHADMN Cc1ccc(NC(=O)CN2C[C@@H](C)CC(C)(C)C2)c(C)c1 ZINC000541324724 1128018500 /nfs/dbraw/zinc/01/85/00/1128018500.db2.gz OPKFSRNESMLRGJ-AWEZNQCLSA-N 0 1 288.435 3.610 20 0 CHADMN CCc1cnc(CN2CC[C@@H](c3cccc(C)c3)C2)o1 ZINC000541387977 1128022634 /nfs/dbraw/zinc/02/26/34/1128022634.db2.gz RWHYJYMFMZIIKC-OAHLLOKOSA-N 0 1 270.376 3.535 20 0 CHADMN COc1cc2c(cc1CN(C)[C@H](C)c1ccccc1)OCO2 ZINC000545561909 1128021572 /nfs/dbraw/zinc/02/15/72/1128021572.db2.gz YVPHLGFKQLSPHV-CYBMUJFWSA-N 0 1 299.370 3.617 20 0 CHADMN COC(C)(C)CCN(C)[C@@H](C)c1c(F)cccc1F ZINC000468911619 1128026673 /nfs/dbraw/zinc/02/66/73/1128026673.db2.gz JQOYHLNFOVTJGK-NSHDSACASA-N 0 1 271.351 3.773 20 0 CHADMN CC(C)C1(CN[C@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000541565022 1128025967 /nfs/dbraw/zinc/02/59/67/1128025967.db2.gz JYYDUIHUNUYFEE-QGZVFWFLSA-N 0 1 299.393 3.731 20 0 CHADMN O=C(CCC1CCCCC1)Nc1cccc(-c2cn[nH]n2)c1 ZINC000541587833 1128030373 /nfs/dbraw/zinc/03/03/73/1128030373.db2.gz YAUMOXAJGACZJI-UHFFFAOYSA-N 0 1 298.390 3.771 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)NC2(C3CC3)CC2)n1 ZINC000541594582 1128030547 /nfs/dbraw/zinc/03/05/47/1128030547.db2.gz DMMSIXOHBNLOPT-GFCCVEGCSA-N 0 1 283.375 3.638 20 0 CHADMN CC[C@@H](SC)c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000545735376 1128031691 /nfs/dbraw/zinc/03/16/91/1128031691.db2.gz SJMWNISRNJWZAQ-LLVKDONJSA-N 0 1 288.376 3.735 20 0 CHADMN Oc1ccc(Cl)cc1-c1nc(COC2CCCC2)no1 ZINC000545772367 1128032873 /nfs/dbraw/zinc/03/28/73/1128032873.db2.gz DZDWKYKBUOAQHN-UHFFFAOYSA-N 0 1 294.738 3.555 20 0 CHADMN COc1ccsc1CN[C@@H](C)c1ccsc1 ZINC000381615184 1128033703 /nfs/dbraw/zinc/03/37/03/1128033703.db2.gz UWQKSLCNFBTBFU-VIFPVBQESA-N 0 1 253.392 3.669 20 0 CHADMN C[C@@H](CNCc1ccsc1Cl)C(F)(F)F ZINC000308972084 1128040172 /nfs/dbraw/zinc/04/01/72/1128040172.db2.gz FNYIFFHQERFYGT-LURJTMIESA-N 0 1 257.708 3.690 20 0 CHADMN Fc1ccccc1CN(Cc1ccccc1)C1CC1 ZINC000302750216 1128041655 /nfs/dbraw/zinc/04/16/55/1128041655.db2.gz FQTRPKRAVZHUEK-UHFFFAOYSA-N 0 1 255.336 3.990 20 0 CHADMN COc1cc(C)c(CN(C)[C@H](C)c2cccs2)c(C)n1 ZINC000541926473 1128043430 /nfs/dbraw/zinc/04/34/30/1128043430.db2.gz PPHNREZUNCZULJ-CYBMUJFWSA-N 0 1 290.432 3.962 20 0 CHADMN CC[C@@H](NCc1cncc(F)c1)c1ccccc1F ZINC000653791341 1128050541 /nfs/dbraw/zinc/05/05/41/1128050541.db2.gz RSRFAIKKNCVCLE-OAHLLOKOSA-N 0 1 262.303 3.601 20 0 CHADMN COC(C)(C)CC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000469732755 1128051945 /nfs/dbraw/zinc/05/19/45/1128051945.db2.gz DPQRQSKKJRAHIL-SFHVURJKSA-N 0 1 298.430 3.708 20 0 CHADMN CC[C@H]1CCC[C@@H](CNC2(c3noc(C)n3)CCCC2)C1 ZINC000542247383 1128058847 /nfs/dbraw/zinc/05/88/47/1128058847.db2.gz JDOVIXFJSHNWKX-LSDHHAIUSA-N 0 1 291.439 3.953 20 0 CHADMN C[C@@H](CC(C)(C)C)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000470326278 1128068284 /nfs/dbraw/zinc/06/82/84/1128068284.db2.gz DGTNODTUPLZULK-LBPRGKRZSA-N 0 1 293.455 3.738 20 0 CHADMN Cc1cc(C)cc(NC(=O)CN[C@@H](C)c2ccsc2)c1 ZINC000669938381 1128076877 /nfs/dbraw/zinc/07/68/77/1128076877.db2.gz MOVZYONMOWBFCY-ZDUSSCGKSA-N 0 1 288.416 3.654 20 0 CHADMN Cc1ccnc(NC[C@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000470516453 1128072734 /nfs/dbraw/zinc/07/27/34/1128072734.db2.gz QZOONYNZJQVNFC-AEFFLSMTSA-N 0 1 282.387 3.970 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1cnc2ccccn12 ZINC000172716405 1128074733 /nfs/dbraw/zinc/07/47/33/1128074733.db2.gz PUUJHMUDIIEFFW-AWEZNQCLSA-N 0 1 265.360 3.527 20 0 CHADMN C[C@H]1CN(Cc2cc3ccccc3s2)C[C@@H](C2CC2)O1 ZINC000470926310 1128080886 /nfs/dbraw/zinc/08/08/86/1128080886.db2.gz PLCDORUHNCOIQM-LRDDRELGSA-N 0 1 287.428 3.901 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000470910062 1128081153 /nfs/dbraw/zinc/08/11/53/1128081153.db2.gz WPVQVNAREWSBTK-VUCTXSBTSA-N 0 1 277.383 3.776 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N1CCC[C@@](C)(O)CC1 ZINC000471076477 1128086540 /nfs/dbraw/zinc/08/65/40/1128086540.db2.gz NKIFCFSCBMALKO-XHDPSFHLSA-N 0 1 285.790 3.777 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CC(C)(C)c3ccccc32)nn1C ZINC000282099858 1128087919 /nfs/dbraw/zinc/08/79/19/1128087919.db2.gz IOUUFIHCLLGMDH-CXAGYDPISA-N 0 1 283.419 3.802 20 0 CHADMN Clc1cnccc1CN(C[C@H]1CCCO1)C1CCCC1 ZINC000173840777 1128093504 /nfs/dbraw/zinc/09/35/04/1128093504.db2.gz AKFQXFQLBVTRSF-OAHLLOKOSA-N 0 1 294.826 3.659 20 0 CHADMN CCCOc1ccc(F)cc1Nc1cc(=O)[nH]c(Cl)n1 ZINC001212197802 1128098410 /nfs/dbraw/zinc/09/84/10/1128098410.db2.gz DNIGCJLIUQECLH-UHFFFAOYSA-N 0 1 297.717 3.507 20 0 CHADMN COc1ccnc([C@@H](C)N[C@@H]2CCCc3ccccc32)c1 ZINC000924534439 1128102561 /nfs/dbraw/zinc/10/25/61/1128102561.db2.gz KWYGSKIGBGNOLA-CXAGYDPISA-N 0 1 282.387 3.818 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc(Cl)c1)c1ccnnc1 ZINC000924542912 1128102903 /nfs/dbraw/zinc/10/29/03/1128102903.db2.gz OWZXUOZDRBMNTI-QWRGUYRKSA-N 0 1 261.756 3.542 20 0 CHADMN CCCCCN[C@@H](c1ccccn1)c1ccccc1OC ZINC000924540178 1128102960 /nfs/dbraw/zinc/10/29/60/1128102960.db2.gz CNDJOGLEZMCSQV-GOSISDBHSA-N 0 1 284.403 3.959 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc2c1OCO2)c1cccs1 ZINC000924548188 1128103929 /nfs/dbraw/zinc/10/39/29/1128103929.db2.gz FAVPTFNUAGFYDY-GHMZBOCLSA-N 0 1 275.373 3.889 20 0 CHADMN C[C@H](N[C@@H](C)c1ccnnc1)c1ccc(Cl)cc1 ZINC000924543755 1128103979 /nfs/dbraw/zinc/10/39/79/1128103979.db2.gz RRJZRPDQHGLSJF-QWRGUYRKSA-N 0 1 261.756 3.542 20 0 CHADMN C[C@@H](NCc1cccs1)c1ccnn1CC1CCC1 ZINC000924556395 1128104838 /nfs/dbraw/zinc/10/48/38/1128104838.db2.gz DRHVUMOCGAHYPX-GFCCVEGCSA-N 0 1 275.421 3.596 20 0 CHADMN C[C@H](N[C@H]1CCCc2occc21)c1ccnn1C1CCC1 ZINC000924644944 1128109004 /nfs/dbraw/zinc/10/90/04/1128109004.db2.gz RYXXSCWZQCIBJF-WFASDCNBSA-N 0 1 285.391 3.929 20 0 CHADMN CCOc1cccc(CN[C@@H](C)c2cccc3c2OCO3)c1 ZINC000924690526 1128110119 /nfs/dbraw/zinc/11/01/19/1128110119.db2.gz SJMWQISMUCQQTF-ZDUSSCGKSA-N 0 1 299.370 3.665 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1ccnnc1 ZINC000924771185 1128112566 /nfs/dbraw/zinc/11/25/66/1128112566.db2.gz UTIOVSBOOIGFLF-VHSXEESVSA-N 0 1 279.746 3.681 20 0 CHADMN C[C@H](NCCCCOc1ccc(Cl)cc1)c1ncco1 ZINC000924830848 1128114748 /nfs/dbraw/zinc/11/47/48/1128114748.db2.gz FOVMXTOKYWCZEK-LBPRGKRZSA-N 0 1 294.782 3.838 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cn3c(n2)CCCC3)cc1 ZINC000924858809 1128115304 /nfs/dbraw/zinc/11/53/04/1128115304.db2.gz QYGQYHBVQVDXIC-KGLIPLIRSA-N 0 1 299.418 3.640 20 0 CHADMN COc1ccnc([C@@H](C)NCc2c(C)cc(C)cc2C)c1 ZINC000924857698 1128115456 /nfs/dbraw/zinc/11/54/56/1128115456.db2.gz GPXOKTZXYMMHSV-OAHLLOKOSA-N 0 1 284.403 3.866 20 0 CHADMN C[C@@H](N[C@@H](C)C(C)(C)c1ccccc1)c1ncco1 ZINC000924929952 1128116987 /nfs/dbraw/zinc/11/69/87/1128116987.db2.gz ODJCGDUSVVIMHL-OLZOCXBDSA-N 0 1 258.365 3.692 20 0 CHADMN CC[C@@H](N[C@@H]1CCc2c1cccc2O)c1cccc(OC)n1 ZINC000924967631 1128118164 /nfs/dbraw/zinc/11/81/64/1128118164.db2.gz NFGFOCXZMLXSQG-HUUCEWRRSA-N 0 1 298.386 3.524 20 0 CHADMN Cc1ccccc1[C@@H](N[C@@H](C)c1cn(C)cn1)C(C)C ZINC000925046165 1128120105 /nfs/dbraw/zinc/12/01/05/1128120105.db2.gz TWKNCTCWPHFLLI-YOEHRIQHSA-N 0 1 271.408 3.776 20 0 CHADMN C[C@@H](N[C@@H](C)CCC1CCCCC1)c1cc(CO)on1 ZINC000925072102 1128120752 /nfs/dbraw/zinc/12/07/52/1128120752.db2.gz QXRVUHYQRTYQFD-QWHCGFSZSA-N 0 1 280.412 3.567 20 0 CHADMN Cc1cc(CN[C@H](Cc2ccccc2C)c2ccco2)[nH]n1 ZINC000925103540 1128122070 /nfs/dbraw/zinc/12/20/70/1128122070.db2.gz NMEJTFSYUNOVMS-QGZVFWFLSA-N 0 1 295.386 3.693 20 0 CHADMN Oc1ccc(CN[C@H](c2ccccn2)C2CCC2)cc1F ZINC000925112270 1128122169 /nfs/dbraw/zinc/12/21/69/1128122169.db2.gz LKYDXIUIEIVPGV-KRWDZBQOSA-N 0 1 286.350 3.557 20 0 CHADMN Cc1cccc(F)c1CN[C@@H](C)c1cnn(C2CCC2)c1 ZINC000925163420 1128124401 /nfs/dbraw/zinc/12/44/01/1128124401.db2.gz CQFPAFIACBSEAL-ZDUSSCGKSA-N 0 1 287.382 3.906 20 0 CHADMN CC[C@H](N[C@@H](CC)c1cccc(OC)n1)c1ccncc1 ZINC000925131631 1128122915 /nfs/dbraw/zinc/12/29/15/1128122915.db2.gz UVSCLYCPARVRBC-GJZGRUSLSA-N 0 1 285.391 3.677 20 0 CHADMN C[C@@H](NCCC(F)(F)F)c1cc(-c2ccccc2)no1 ZINC000925241929 1128126450 /nfs/dbraw/zinc/12/64/50/1128126450.db2.gz XEEJZXMGDHNHAK-SNVBAGLBSA-N 0 1 284.281 3.945 20 0 CHADMN Cc1ccc(CNCc2nc3c(s2)CCC3)c(C)c1 ZINC000093062986 1128127015 /nfs/dbraw/zinc/12/70/15/1128127015.db2.gz QZFFNIJPASBTTE-UHFFFAOYSA-N 0 1 272.417 3.538 20 0 CHADMN CC[C@H](C)[C@@H](C)N1CCc2c(ncn2-c2ccccc2)C1 ZINC001168448345 1128127840 /nfs/dbraw/zinc/12/78/40/1128127840.db2.gz OCQAGHFOFGXTKH-LSDHHAIUSA-N 0 1 283.419 3.665 20 0 CHADMN C[C@@H](NCc1ccc(OC2CCCC2)cc1)c1ccnnc1 ZINC000925362676 1128128810 /nfs/dbraw/zinc/12/88/10/1128128810.db2.gz GMAXSIWPATUDPV-CQSZACIVSA-N 0 1 297.402 3.649 20 0 CHADMN COc1cc([C@@H](C)N[C@@H]2CC(C)(C)c3ccccc32)on1 ZINC000925574070 1128133128 /nfs/dbraw/zinc/13/31/28/1128133128.db2.gz YEGJSNNPYFAXTB-BXUZGUMPSA-N 0 1 286.375 3.756 20 0 CHADMN C[C@@H](N[C@H](c1cccnc1)C1CC1)c1cccc2c1OCO2 ZINC000925641160 1128135538 /nfs/dbraw/zinc/13/55/38/1128135538.db2.gz AVMQLICRHYULIN-PXAZEXFGSA-N 0 1 296.370 3.612 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@H](C)c1cccc2c1OCO2 ZINC000925684596 1128137285 /nfs/dbraw/zinc/13/72/85/1128137285.db2.gz IJUDRZUEENRDKC-CHWSQXEVSA-N 0 1 298.386 3.785 20 0 CHADMN Cc1cccc2c1CCN(CCC(=O)c1ccc(F)cc1)C2 ZINC000777578409 1128146193 /nfs/dbraw/zinc/14/61/93/1128146193.db2.gz ZNNJZYDRBZAORD-UHFFFAOYSA-N 0 1 297.373 3.765 20 0 CHADMN Cc1nc2cc(NC3CC4(C3)COC(C)(C)C4)ccc2n1C ZINC000926099188 1128154277 /nfs/dbraw/zinc/15/42/77/1128154277.db2.gz SABNQJJLLOTAHC-UHFFFAOYSA-N 0 1 299.418 3.641 20 0 CHADMN CCCc1csc(CNCCOC2CCCCCC2)n1 ZINC000494019743 1128154339 /nfs/dbraw/zinc/15/43/39/1128154339.db2.gz VOIBJJWIJODLCU-UHFFFAOYSA-N 0 1 296.480 3.925 20 0 CHADMN COc1cc(C)nc(CN(C)Cc2cccc3[nH]ccc32)c1 ZINC000494076554 1128156279 /nfs/dbraw/zinc/15/62/79/1128156279.db2.gz BSODIFVCWHLLLB-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN COc1ccc(CN2CCS[C@@H](C)CC2)c(Cl)c1 ZINC000494089315 1128156366 /nfs/dbraw/zinc/15/63/66/1128156366.db2.gz MELBWVCREVOJEU-NSHDSACASA-N 0 1 285.840 3.676 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(Cl)c2F)CCS1 ZINC000494076386 1128156387 /nfs/dbraw/zinc/15/63/87/1128156387.db2.gz ABFCKCYOSIVHSI-SNVBAGLBSA-N 0 1 273.804 3.807 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@@H]1CCCc2oc(C)nc21 ZINC000926175528 1128157944 /nfs/dbraw/zinc/15/79/44/1128157944.db2.gz QWWCBSGPUOLBAE-NXEZZACHSA-N 0 1 276.302 3.681 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@H]1CCc2c1nccc2Cl ZINC000926187082 1128158732 /nfs/dbraw/zinc/15/87/32/1128158732.db2.gz AGEKGQRFAVXOMB-XCBNKYQSSA-N 0 1 278.705 3.653 20 0 CHADMN COc1cc(C)nc(CN[C@H](C)c2ccccc2C)c1 ZINC000214089576 1128159005 /nfs/dbraw/zinc/15/90/05/1128159005.db2.gz VKPOSTSMBRJMSY-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN COc1ccnc([C@H](C)NCc2ccc(C(F)F)cc2)c1 ZINC000926181782 1128159002 /nfs/dbraw/zinc/15/90/02/1128159002.db2.gz CRQKMQHEKFGZJK-NSHDSACASA-N 0 1 292.329 3.879 20 0 CHADMN COc1ccnc([C@@H](C)N[C@@H]2CCCc3sccc32)c1 ZINC000926189501 1128159006 /nfs/dbraw/zinc/15/90/06/1128159006.db2.gz LQRVMPJSYSMCPH-BXUZGUMPSA-N 0 1 288.416 3.880 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccsc1)c1cc2ccccc2[nH]1 ZINC000926200477 1128159656 /nfs/dbraw/zinc/15/96/56/1128159656.db2.gz UIWUTVFOKMQGOU-BDJLRTHQSA-N 0 1 286.400 3.614 20 0 CHADMN COc1ccnc([C@@H](C)NCc2c(C)oc3ccccc32)c1 ZINC000926196915 1128159723 /nfs/dbraw/zinc/15/97/23/1128159723.db2.gz NFGDZQHAJJMKLZ-GFCCVEGCSA-N 0 1 296.370 3.996 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccsc1)c1cc2ccccc2[nH]1 ZINC000926200478 1128159807 /nfs/dbraw/zinc/15/98/07/1128159807.db2.gz UIWUTVFOKMQGOU-BZNIZROVSA-N 0 1 286.400 3.614 20 0 CHADMN Cc1ccc(SC[C@@H](C)N[C@@H](C)c2cn(C)cn2)cc1 ZINC000926203882 1128160175 /nfs/dbraw/zinc/16/01/75/1128160175.db2.gz ZQPKBOIZYQFSHB-KGLIPLIRSA-N 0 1 289.448 3.560 20 0 CHADMN C[C@H](N[C@@H](C)c1ccnnc1)c1cc2ccccc2o1 ZINC000926252131 1128163489 /nfs/dbraw/zinc/16/34/89/1128163489.db2.gz RXVPNBPBCTVQTJ-RYUDHWBXSA-N 0 1 267.332 3.635 20 0 CHADMN CCCNc1ccc(CN[C@H](C)c2c(C)noc2C)cc1 ZINC000926287529 1128164963 /nfs/dbraw/zinc/16/49/63/1128164963.db2.gz FQKZITKUJBMCQK-GFCCVEGCSA-N 0 1 287.407 3.964 20 0 CHADMN CSC1CC(N[C@@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000926329807 1128167206 /nfs/dbraw/zinc/16/72/06/1128167206.db2.gz ADCNCINWGGVTTQ-HTWSVDAQSA-N 0 1 298.455 3.963 20 0 CHADMN COc1ccnc(CN(C)C/C(C)=C\c2ccccc2)c1 ZINC000494273181 1128168352 /nfs/dbraw/zinc/16/83/52/1128168352.db2.gz GDJBRNIFNVDIHK-PTNGSMBKSA-N 0 1 282.387 3.626 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@@H](C)c1ccnnc1 ZINC000926357437 1128169297 /nfs/dbraw/zinc/16/92/97/1128169297.db2.gz WUSHNEQGUWLQQR-RYUDHWBXSA-N 0 1 273.405 3.610 20 0 CHADMN COC[C@H](N[C@H](C)c1cnn(C2CCC2)c1)c1ccccc1 ZINC000925409938 1128170056 /nfs/dbraw/zinc/17/00/56/1128170056.db2.gz YQGDKVBBAVIXAM-KDOFPFPSSA-N 0 1 299.418 3.646 20 0 CHADMN CCCc1csc(CNCCCOc2ccccc2)n1 ZINC000494356425 1128171068 /nfs/dbraw/zinc/17/10/68/1128171068.db2.gz KQGKTQMDTWGCJG-UHFFFAOYSA-N 0 1 290.432 3.654 20 0 CHADMN CC(C)SCCN[C@H]1COCc2cccc(Cl)c21 ZINC000926423371 1128171013 /nfs/dbraw/zinc/17/10/13/1128171013.db2.gz PEOOOYMMSLWPOY-ZDUSSCGKSA-N 0 1 285.840 3.643 20 0 CHADMN CCc1nc(C)c(CN[C@@H](C)c2cc3ccccc3[nH]2)o1 ZINC000926478453 1128174239 /nfs/dbraw/zinc/17/42/39/1128174239.db2.gz CFJRCCNCIWOUOL-NSHDSACASA-N 0 1 283.375 3.878 20 0 CHADMN C[C@H](NCCc1cc2ccccc2s1)c1ncco1 ZINC000926485734 1128174870 /nfs/dbraw/zinc/17/48/70/1128174870.db2.gz NFEFZNPFKAXBRL-NSHDSACASA-N 0 1 272.373 3.783 20 0 CHADMN COC(=O)c1ccc([C@H](C)N[C@@H](C)c2ccc(C)cc2)o1 ZINC000223624178 1128180727 /nfs/dbraw/zinc/18/07/27/1128180727.db2.gz GJEHWUYTMCFRCO-STQMWFEESA-N 0 1 287.359 3.786 20 0 CHADMN C[C@H](N[C@H]1CC12CC2)c1ncc(C(F)(F)F)cc1Cl ZINC000926617092 1128184056 /nfs/dbraw/zinc/18/40/56/1128184056.db2.gz WNAIENPKOWXOLA-XVKPBYJWSA-N 0 1 290.716 3.957 20 0 CHADMN Clc1ccccc1CN1CCC[C@H](OCC2CC2)C1 ZINC000494689342 1128185881 /nfs/dbraw/zinc/18/58/81/1128185881.db2.gz KTJZCWZHAJVHGV-HNNXBMFYSA-N 0 1 279.811 3.731 20 0 CHADMN CCC(CC)[C@@H](C)C(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000761659464 1128187435 /nfs/dbraw/zinc/18/74/35/1128187435.db2.gz ZFPTUUPOECJAFM-SECBINFHSA-N 0 1 292.408 3.544 20 0 CHADMN FC(F)Oc1ccc(Cl)cc1CN1CCC[C@H]2C[C@H]21 ZINC001234441349 1128189242 /nfs/dbraw/zinc/18/92/42/1128189242.db2.gz NMMQCOSYOYXIHA-JOYOIKCWSA-N 0 1 287.737 3.926 20 0 CHADMN CC[C@H](N[C@@H](C)c1cn(C)cn1)c1cc(C)ccc1C ZINC000926768344 1128192825 /nfs/dbraw/zinc/19/28/25/1128192825.db2.gz SWAPMGSURNCBDH-HOCLYGCPSA-N 0 1 271.408 3.839 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccnn1CC1CCC1 ZINC000926787681 1128194269 /nfs/dbraw/zinc/19/42/69/1128194269.db2.gz ZHIJTPYEOZVCSO-VHDGCEQUSA-N 0 1 279.403 3.615 20 0 CHADMN C[C@@H](NCc1nsc2ccccc12)C1(Cl)CC1 ZINC000926865475 1128199258 /nfs/dbraw/zinc/19/92/58/1128199258.db2.gz OYIFKGBDOYMYLX-SECBINFHSA-N 0 1 266.797 3.546 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1cnn(C2CCC2)c1 ZINC000926783856 1128194378 /nfs/dbraw/zinc/19/43/78/1128194378.db2.gz BKHSMRNQOOHEAH-BYCMXARLSA-N 0 1 265.376 3.539 20 0 CHADMN C[C@H](NCCc1ccc(Cl)c(Cl)c1)c1ncco1 ZINC000926871444 1128199276 /nfs/dbraw/zinc/19/92/76/1128199276.db2.gz NQVNMHDXJDKFSJ-VIFPVBQESA-N 0 1 285.174 3.875 20 0 CHADMN Cc1oc2ccccc2c1[C@@H](C)N[C@@H](C)c1ccnn1C ZINC000926814258 1128196481 /nfs/dbraw/zinc/19/64/81/1128196481.db2.gz VTLPPZXHAKNZIM-NWDGAFQWSA-N 0 1 283.375 3.887 20 0 CHADMN CC(C)c1cnc(CN[C@@H](C)C2CCCCC2)o1 ZINC000754122919 1128196679 /nfs/dbraw/zinc/19/66/79/1128196679.db2.gz HODRSTLKJORCRV-LBPRGKRZSA-N 0 1 250.386 3.856 20 0 CHADMN COC(=O)c1ccc([C@@H](C)N2Cc3ccccc3[C@H](C)C2)o1 ZINC000914787652 1128245334 /nfs/dbraw/zinc/24/53/34/1128245334.db2.gz AWMKQPAOVCNWKA-CHWSQXEVSA-N 0 1 299.370 3.747 20 0 CHADMN C[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1ccc(F)cn1 ZINC000777702449 1128247231 /nfs/dbraw/zinc/24/72/31/1128247231.db2.gz XTUCODRDZILMSX-LLVKDONJSA-N 0 1 291.345 3.595 20 0 CHADMN C[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1cncc(F)c1 ZINC000777700806 1128247609 /nfs/dbraw/zinc/24/76/09/1128247609.db2.gz JETVJDFNUZEIIH-LLVKDONJSA-N 0 1 291.345 3.595 20 0 CHADMN CC[C@@]1(O)CCN([C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000495230207 1128248227 /nfs/dbraw/zinc/24/82/27/1128248227.db2.gz LSVZZOKKFBRKNU-IINYFYTJSA-N 0 1 288.218 3.901 20 0 CHADMN C[C@H](Cc1cccc(F)c1)[N@H+]1CCC[C@@](C)(F)C1 ZINC001168482561 1128252622 /nfs/dbraw/zinc/25/26/22/1128252622.db2.gz XSNHHVZMJAMEIS-IUODEOHRSA-N 0 1 253.336 3.581 20 0 CHADMN C[C@H](Cc1cccc(F)c1)N1CCC[C@@](C)(F)C1 ZINC001168482561 1128252625 /nfs/dbraw/zinc/25/26/25/1128252625.db2.gz XSNHHVZMJAMEIS-IUODEOHRSA-N 0 1 253.336 3.581 20 0 CHADMN C[C@H](Cc1cccc(F)c1)[N@H+]1CCC[C@](C)(F)C1 ZINC001168482560 1128252851 /nfs/dbraw/zinc/25/28/51/1128252851.db2.gz XSNHHVZMJAMEIS-DOMZBBRYSA-N 0 1 253.336 3.581 20 0 CHADMN C[C@H](Cc1cccc(F)c1)N1CCC[C@](C)(F)C1 ZINC001168482560 1128252853 /nfs/dbraw/zinc/25/28/53/1128252853.db2.gz XSNHHVZMJAMEIS-DOMZBBRYSA-N 0 1 253.336 3.581 20 0 CHADMN CCc1ccc2ccccc2c1CN1CCc2nc[nH]c2C1 ZINC000929069905 1128256281 /nfs/dbraw/zinc/25/62/81/1128256281.db2.gz NBAMJYSMDSSMHW-UHFFFAOYSA-N 0 1 291.398 3.684 20 0 CHADMN Cc1cc(C(C)(C)C)cc(C)c1CN1CCc2nc[nH]c2C1 ZINC000929075449 1128257454 /nfs/dbraw/zinc/25/74/54/1128257454.db2.gz VFKCQZQVOREAIK-UHFFFAOYSA-N 0 1 297.446 3.882 20 0 CHADMN Cc1nnsc1[C@@H](C)N1CCC(c2ccccc2)CC1 ZINC000929166469 1128262025 /nfs/dbraw/zinc/26/20/25/1128262025.db2.gz WNKFKIPMRIRZGK-CYBMUJFWSA-N 0 1 287.432 3.787 20 0 CHADMN Cc1cc([C@H]2CCCN2CCCC(C)(F)F)no1 ZINC000929184837 1128262567 /nfs/dbraw/zinc/26/25/67/1128262567.db2.gz DXKALDRPYPVTRW-GFCCVEGCSA-N 0 1 258.312 3.555 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2cccc(F)c2)c(C)nn1 ZINC000929314102 1128269375 /nfs/dbraw/zinc/26/93/75/1128269375.db2.gz NFYLPGVRWYZFDH-QGZVFWFLSA-N 0 1 285.366 3.570 20 0 CHADMN C[C@@H](N[C@H]1CCc2cccc3cccc1c32)c1cn(C)cn1 ZINC000926879843 1128199759 /nfs/dbraw/zinc/19/97/59/1128199759.db2.gz MADGVIWHAZSKRX-DYVFJYSZSA-N 0 1 291.398 3.911 20 0 CHADMN COc1ccnc([C@@H](C)N[C@@H](C)c2ccc(F)cc2C)c1 ZINC000926899638 1128201022 /nfs/dbraw/zinc/20/10/22/1128201022.db2.gz XJNVLGVLZNKWCG-QWHCGFSZSA-N 0 1 288.366 3.950 20 0 CHADMN Fc1ccc([C@@H](NCCC2CC=CC2)c2ncc[nH]2)cc1 ZINC000926952529 1128205977 /nfs/dbraw/zinc/20/59/77/1128205977.db2.gz ZTXAZVVMWWLUBD-MRXNPFEDSA-N 0 1 285.366 3.584 20 0 CHADMN Cc1c([C@@H](C)NCc2ncc(C)cc2C)cnn1C(C)C ZINC000926961593 1128206438 /nfs/dbraw/zinc/20/64/38/1128206438.db2.gz WIZIAEOLPDGMFF-CQSZACIVSA-N 0 1 286.423 3.635 20 0 CHADMN CCCc1csc(CN[C@@H](CC)CC(F)(F)F)n1 ZINC000494851125 1128206540 /nfs/dbraw/zinc/20/65/40/1128206540.db2.gz OKQMFDZRVFXHRI-VIFPVBQESA-N 0 1 280.359 3.916 20 0 CHADMN CCn1cccc1CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000494918982 1128211188 /nfs/dbraw/zinc/21/11/88/1128211188.db2.gz BIIIQGQNBHAVFO-LBPRGKRZSA-N 0 1 278.346 3.979 20 0 CHADMN C[C@H](N[C@@H]1CCCc2cccnc21)c1ccc2c(c1)CCO2 ZINC000927055126 1128211501 /nfs/dbraw/zinc/21/15/01/1128211501.db2.gz HFRWXCNWMJNKPQ-SUMWQHHRSA-N 0 1 294.398 3.745 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3cccnc31)CC2 ZINC000927056336 1128212047 /nfs/dbraw/zinc/21/20/47/1128212047.db2.gz RLTMDGNVMYPUKI-ZWKOTPCHSA-N 0 1 294.398 3.745 20 0 CHADMN CCC[C@@H](N[C@@H]1CCCc2cccnc21)c1cccnc1 ZINC000927061988 1128213111 /nfs/dbraw/zinc/21/31/11/1128213111.db2.gz VWCKXZPGXNLLLM-IAGOWNOFSA-N 0 1 281.403 3.985 20 0 CHADMN c1cncc([C@@H](N[C@H]2CCCc3cccnc32)C2CCC2)c1 ZINC000927064000 1128213457 /nfs/dbraw/zinc/21/34/57/1128213457.db2.gz NMQRRYWLIROKIM-ROUUACIJSA-N 0 1 293.414 3.985 20 0 CHADMN CC1(C)C[N@@H+](Cc2cc(Cl)cs2)CCS1 ZINC000494926946 1128213499 /nfs/dbraw/zinc/21/34/99/1128213499.db2.gz WPXHWKHFQYTPCQ-UHFFFAOYSA-N 0 1 261.843 3.729 20 0 CHADMN CC1(C)CN(Cc2cc(Cl)cs2)CCS1 ZINC000494926946 1128213504 /nfs/dbraw/zinc/21/35/04/1128213504.db2.gz WPXHWKHFQYTPCQ-UHFFFAOYSA-N 0 1 261.843 3.729 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@H]1CCCc2cccnc21 ZINC000927064196 1128214365 /nfs/dbraw/zinc/21/43/65/1128214365.db2.gz QIHDXYYSDDLVRW-YPMHNXCESA-N 0 1 288.416 3.880 20 0 CHADMN COc1ccc([C@@H](N[C@H](C)c2ccn(C)n2)C2CCC2)cc1 ZINC000927065369 1128214430 /nfs/dbraw/zinc/21/44/30/1128214430.db2.gz DQTAASQDGAXBDE-ACJLOTCBSA-N 0 1 299.418 3.621 20 0 CHADMN COc1ccc([C@H](N[C@@H](C)c2cnccn2)C2CCC2)cc1 ZINC000927065516 1128214440 /nfs/dbraw/zinc/21/44/40/1128214440.db2.gz FKRVOBYKGFPEKU-SCLBCKFNSA-N 0 1 297.402 3.677 20 0 CHADMN CN(Cc1nccn1C(F)F)CC1CCC2(CC2)CC1 ZINC000929259386 1128266444 /nfs/dbraw/zinc/26/64/44/1128266444.db2.gz WUKQZUGOHSATHO-UHFFFAOYSA-N 0 1 283.366 3.680 20 0 CHADMN C(=C\c1ccncc1)\CN1CCC[C@@H]1c1ccco1 ZINC000494981898 1128219092 /nfs/dbraw/zinc/21/90/92/1128219092.db2.gz UOKUACLGIFVRJB-AIOIPUTFSA-N 0 1 254.333 3.525 20 0 CHADMN CCOc1ccc(CN2CCC(C(F)F)CC2)cc1F ZINC000494988797 1128220258 /nfs/dbraw/zinc/22/02/58/1128220258.db2.gz ZORLLGDXPPFITB-UHFFFAOYSA-N 0 1 287.325 3.702 20 0 CHADMN CCc1onc(C)c1CN[C@@H](C)c1ccc(OC)cc1C ZINC000927135033 1128221483 /nfs/dbraw/zinc/22/14/83/1128221483.db2.gz POFHWNXVDGCGQT-LBPRGKRZSA-N 0 1 288.391 3.713 20 0 CHADMN CC(C)[C@@H]1CN(Cc2cc(Cl)cs2)CCS1 ZINC000494992730 1128222030 /nfs/dbraw/zinc/22/20/30/1128222030.db2.gz FMCFEJWSICNASJ-LBPRGKRZSA-N 0 1 275.870 3.975 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2c(C)noc2CC)c1 ZINC000927141204 1128222245 /nfs/dbraw/zinc/22/22/45/1128222245.db2.gz VTBDZSLLGCKTOE-GFCCVEGCSA-N 0 1 288.391 3.795 20 0 CHADMN CCc1onc(C)c1CN[C@@H](C)c1cccc(F)c1 ZINC000927142266 1128222626 /nfs/dbraw/zinc/22/26/26/1128222626.db2.gz UBFZQAUBFWDPOP-JTQLQIEISA-N 0 1 262.328 3.535 20 0 CHADMN CCCC[C@@H](NCc1cnc(C)cn1)c1ccc(OC)cc1 ZINC001168475689 1128224267 /nfs/dbraw/zinc/22/42/67/1128224267.db2.gz OZUDFQXRURILQE-GOSISDBHSA-N 0 1 299.418 3.815 20 0 CHADMN COc1ccccc1CN(C/C=C\c1ccncc1)C1CC1 ZINC000495060847 1128226577 /nfs/dbraw/zinc/22/65/77/1128226577.db2.gz SAIGLWYAIIZUPQ-PLNGDYQASA-N 0 1 294.398 3.768 20 0 CHADMN CC(C)CCOC1CCN([C@@H](C)c2ccc(F)nc2)CC1 ZINC000929278743 1128267368 /nfs/dbraw/zinc/26/73/68/1128267368.db2.gz MXTKUYQDLBWVGK-AWEZNQCLSA-N 0 1 294.414 3.809 20 0 CHADMN Cc1noc(C)c1CN(C)Cc1cc(C)nc2ccccc12 ZINC000074349133 1128231280 /nfs/dbraw/zinc/23/12/80/1128231280.db2.gz JEHHNRKHYRQBEY-UHFFFAOYSA-N 0 1 295.386 3.780 20 0 CHADMN CCCCN(C)Cc1cccnc1OCc1ccccc1 ZINC001238771994 1131242694 /nfs/dbraw/zinc/24/26/94/1131242694.db2.gz MJMVPJTXWLEPBI-UHFFFAOYSA-N 0 1 284.403 3.893 20 0 CHADMN CCOc1c(Cl)cccc1CN(CC)C[C@H]1CCCO1 ZINC000495152597 1128237652 /nfs/dbraw/zinc/23/76/52/1128237652.db2.gz UFZFUPVOLXUGTG-CQSZACIVSA-N 0 1 297.826 3.740 20 0 CHADMN CCOc1c(Cl)cccc1CN(C)C[C@H]1CCCCO1 ZINC000495175992 1128240532 /nfs/dbraw/zinc/24/05/32/1128240532.db2.gz WANMPUKKJOAXPF-CQSZACIVSA-N 0 1 297.826 3.740 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1coc(C(C)(C)C)n1 ZINC000929347703 1128271216 /nfs/dbraw/zinc/27/12/16/1128271216.db2.gz KXUPUQCMXOUQMK-CYBMUJFWSA-N 0 1 250.386 3.593 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1[nH]c(C)nc1C ZINC000929383726 1128271697 /nfs/dbraw/zinc/27/16/97/1128271697.db2.gz QZFOUCJJEDSSJM-SFHVURJKSA-N 0 1 299.418 3.545 20 0 CHADMN CCN(Cc1cnn(CCF)c1)Cc1ccc(Cl)cc1 ZINC000929378790 1128271982 /nfs/dbraw/zinc/27/19/82/1128271982.db2.gz DWEWUUNOTXJDRC-UHFFFAOYSA-N 0 1 295.789 3.528 20 0 CHADMN CC(C)[N@H+](Cc1ccco1)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929367497 1128272140 /nfs/dbraw/zinc/27/21/40/1128272140.db2.gz NTYVCLJYIHPNFO-OLZOCXBDSA-N 0 1 291.313 3.600 20 0 CHADMN CC[C@H](c1ccccc1)[C@@H]1CCCN1Cc1nncs1 ZINC000929413343 1128273609 /nfs/dbraw/zinc/27/36/09/1128273609.db2.gz XVNAHCYPTQSNBO-CABCVRRESA-N 0 1 287.432 3.696 20 0 CHADMN C[C@H](c1ccc(F)nc1)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000929531402 1128276677 /nfs/dbraw/zinc/27/66/77/1128276677.db2.gz QHMFZGWBHJERBH-DOMZBBRYSA-N 0 1 288.341 3.910 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000929531402 1128276681 /nfs/dbraw/zinc/27/66/81/1128276681.db2.gz QHMFZGWBHJERBH-DOMZBBRYSA-N 0 1 288.341 3.910 20 0 CHADMN C[C@@H](c1ccc(F)nc1)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000929531404 1128276804 /nfs/dbraw/zinc/27/68/04/1128276804.db2.gz QHMFZGWBHJERBH-SWLSCSKDSA-N 0 1 288.341 3.910 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000929531404 1128276807 /nfs/dbraw/zinc/27/68/07/1128276807.db2.gz QHMFZGWBHJERBH-SWLSCSKDSA-N 0 1 288.341 3.910 20 0 CHADMN CCCCCC[C@H](C)N1CCN(C)c2ncccc2C1 ZINC001257367458 1128277754 /nfs/dbraw/zinc/27/77/54/1128277754.db2.gz CEWAWCOJAMODBB-HNNXBMFYSA-N 0 1 275.440 3.692 20 0 CHADMN CCc1onc(C)c1CN1CCc2ccccc2[C@@H]1C ZINC000929599100 1128278249 /nfs/dbraw/zinc/27/82/49/1128278249.db2.gz XBZWLAMUESRDEL-ZDUSSCGKSA-N 0 1 270.376 3.665 20 0 CHADMN COCC1CCN(Cc2nc(C)c(C(C)(C)C)s2)CC1 ZINC000929629206 1128279572 /nfs/dbraw/zinc/27/95/72/1128279572.db2.gz OCZJVGOTJJKFBM-UHFFFAOYSA-N 0 1 296.480 3.607 20 0 CHADMN CC(C)c1nc(CN[C@H]2C[C@H](C)CC[C@H]2C(C)C)no1 ZINC000495419448 1128282142 /nfs/dbraw/zinc/28/21/42/1128282142.db2.gz BHUFXOFIXJAJCY-RDBSUJKOSA-N 0 1 279.428 3.743 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1ccns1 ZINC000637910929 1128282956 /nfs/dbraw/zinc/28/29/56/1128282956.db2.gz HDBLBCOXKRIQIT-MRXNPFEDSA-N 0 1 288.416 3.661 20 0 CHADMN Cc1cc(CN2CC[C@H](C)C[C@@H]2c2ccco2)c(C)nn1 ZINC000929758992 1128285302 /nfs/dbraw/zinc/28/53/02/1128285302.db2.gz VIECOFCJKVFQSY-BLLLJJGKSA-N 0 1 285.391 3.660 20 0 CHADMN CCc1onc(C)c1CN1CCC[C@@H]1c1cccc(C)n1 ZINC000929845815 1128290626 /nfs/dbraw/zinc/29/06/26/1128290626.db2.gz BSXCUZWIXQOBHY-MRXNPFEDSA-N 0 1 285.391 3.586 20 0 CHADMN CCCCOC(=O)CC[C@@H](C)N[C@@H](C)c1nc(C)cs1 ZINC001257377512 1128291901 /nfs/dbraw/zinc/29/19/01/1128291901.db2.gz BQDPWBXUQWCPQR-YPMHNXCESA-N 0 1 298.452 3.614 20 0 CHADMN Cc1cn(C)nc1CNC1(c2cccc(C)c2)CCCC1 ZINC000929963179 1128295370 /nfs/dbraw/zinc/29/53/70/1128295370.db2.gz QSIFEQNQNVZKPK-UHFFFAOYSA-N 0 1 283.419 3.596 20 0 CHADMN c1cc(CN(C[C@@H]2CCCC3(CCC3)O2)C2CC2)ccn1 ZINC000930113197 1128301352 /nfs/dbraw/zinc/30/13/52/1128301352.db2.gz BNYPWPYBQCPBOD-KRWDZBQOSA-N 0 1 286.419 3.538 20 0 CHADMN Cc1ccc(F)c(C[N@H+](C(C)C)C2CCOCC2)c1F ZINC000929994518 1128297567 /nfs/dbraw/zinc/29/75/67/1128297567.db2.gz QWDQKBRAXJDEII-UHFFFAOYSA-N 0 1 283.362 3.663 20 0 CHADMN C[C@H](c1cccnc1)[N@@H+](C)C[C@@H]1CCCC2(CCC2)O1 ZINC000930118417 1128301761 /nfs/dbraw/zinc/30/17/61/1128301761.db2.gz GKNPAHGSXMNVHH-ZBFHGGJFSA-N 0 1 274.408 3.566 20 0 CHADMN CCOc1ccc([C@H](C)N[C@H](C)c2snnc2C)cc1 ZINC000930187906 1128305856 /nfs/dbraw/zinc/30/58/56/1128305856.db2.gz RNNNNDHTMICBPM-WDEREUQCSA-N 0 1 291.420 3.657 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccccc2OC(C)C)c(C)nn1 ZINC000930198260 1128306657 /nfs/dbraw/zinc/30/66/57/1128306657.db2.gz IYFSUYMKZRRYKU-HNNXBMFYSA-N 0 1 299.418 3.731 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1ccccc1CF ZINC000930224120 1128308834 /nfs/dbraw/zinc/30/88/34/1128308834.db2.gz XKNFDNLVJJAILJ-JTQLQIEISA-N 0 1 262.328 3.612 20 0 CHADMN CC(C)[C@H](NCCCC(C)(F)F)c1nc(C2CC2)no1 ZINC000930236334 1128309732 /nfs/dbraw/zinc/30/97/32/1128309732.db2.gz LOZURIJBKQZRAP-NSHDSACASA-N 0 1 287.354 3.669 20 0 CHADMN COC/C(C)=C\CN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000930281569 1128311857 /nfs/dbraw/zinc/31/18/57/1128311857.db2.gz ZTZBMOGKYGXJRS-QMDZLVRISA-N 0 1 296.414 3.662 20 0 CHADMN CSc1ccc([C@H](C)N[C@@H](C)c2snnc2C)cc1 ZINC000930312282 1128313971 /nfs/dbraw/zinc/31/39/71/1128313971.db2.gz FVKMHZICABQECQ-UWVGGRQHSA-N 0 1 293.461 3.980 20 0 CHADMN CC[C@@H](c1ccccc1OC)N(C)Cc1ccoc1 ZINC000777911939 1128320416 /nfs/dbraw/zinc/32/04/16/1128320416.db2.gz SYWHOQDSQFNZSL-HNNXBMFYSA-N 0 1 259.349 3.871 20 0 CHADMN CN(CCC1CCC1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000660103335 1128320835 /nfs/dbraw/zinc/32/08/35/1128320835.db2.gz BQLVPLKEDPOIRJ-UHFFFAOYSA-N 0 1 269.392 3.699 20 0 CHADMN CCc1ncc(CN(C)[C@@H](CC)c2cccc(OC)c2)o1 ZINC000930496053 1128321138 /nfs/dbraw/zinc/32/11/38/1128321138.db2.gz KFHRXYUKYOHIIF-INIZCTEOSA-N 0 1 288.391 3.829 20 0 CHADMN CCCC1CCN(Cc2cc(C)cnc2F)CC1 ZINC001235333127 1128324385 /nfs/dbraw/zinc/32/43/85/1128324385.db2.gz AAJMUONJOTWKRZ-UHFFFAOYSA-N 0 1 250.361 3.541 20 0 CHADMN Cc1ccoc1CN(C)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000930555635 1128325694 /nfs/dbraw/zinc/32/56/94/1128325694.db2.gz WFZRIWRJUOCFNP-AAEUAGOBSA-N 0 1 291.313 3.520 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CCC[C@H](c2ccccn2)C1 ZINC000930570856 1128326805 /nfs/dbraw/zinc/32/68/05/1128326805.db2.gz UTDVBHNENAUUGZ-HIFRSBDPSA-N 0 1 285.366 3.556 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000930747962 1128333966 /nfs/dbraw/zinc/33/39/66/1128333966.db2.gz HKFFQBCPNHHHGG-QWRGUYRKSA-N 0 1 290.304 3.946 20 0 CHADMN Cc1ccc2nc(NC(=O)c3ccc(C)c(F)c3)[nH]c2c1 ZINC000561502327 1128334158 /nfs/dbraw/zinc/33/41/58/1128334158.db2.gz ZYDYOBWANRZAGF-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1ccc2nc(NC(=O)c3ccccc3Cl)[nH]c2c1 ZINC000561522739 1128334498 /nfs/dbraw/zinc/33/44/98/1128334498.db2.gz KFWJUQMHPWIXJX-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN Cc1cc(C)nc(CNC2(c3ccccc3C)CC2)c1 ZINC000930814408 1128336595 /nfs/dbraw/zinc/33/65/95/1128336595.db2.gz MHZJNHMTRROFLX-UHFFFAOYSA-N 0 1 266.388 3.786 20 0 CHADMN CC[C@@H]1C[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H](C)CO1 ZINC000930853912 1128337422 /nfs/dbraw/zinc/33/74/22/1128337422.db2.gz WBSWQYRSRGBYDY-DTZQCDIJSA-N 0 1 295.373 3.535 20 0 CHADMN CC[C@@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H](C)CO1 ZINC000930853912 1128337427 /nfs/dbraw/zinc/33/74/27/1128337427.db2.gz WBSWQYRSRGBYDY-DTZQCDIJSA-N 0 1 295.373 3.535 20 0 CHADMN CCc1ncc(C[N@@H+](C)[C@@H](C)CSc2ccccc2)o1 ZINC000930847580 1128337633 /nfs/dbraw/zinc/33/76/33/1128337633.db2.gz WBUWVMXNMJXILO-ZDUSSCGKSA-N 0 1 290.432 3.850 20 0 CHADMN CCc1ncc(CN(C)[C@@H](C)CSc2ccccc2)o1 ZINC000930847580 1128337636 /nfs/dbraw/zinc/33/76/36/1128337636.db2.gz WBUWVMXNMJXILO-ZDUSSCGKSA-N 0 1 290.432 3.850 20 0 CHADMN CC[C@@H]1C[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H](C)CO1 ZINC000930853913 1128337871 /nfs/dbraw/zinc/33/78/71/1128337871.db2.gz WBSWQYRSRGBYDY-LCGIIJARSA-N 0 1 295.373 3.535 20 0 CHADMN CC[C@@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H](C)CO1 ZINC000930853913 1128337874 /nfs/dbraw/zinc/33/78/74/1128337874.db2.gz WBSWQYRSRGBYDY-LCGIIJARSA-N 0 1 295.373 3.535 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000193763946 1128338265 /nfs/dbraw/zinc/33/82/65/1128338265.db2.gz LCWBMWYYVFHORV-YPMHNXCESA-N 0 1 291.345 3.629 20 0 CHADMN CCCc1nc(C)c(CSc2nc(C(C)(C)C)n[nH]2)o1 ZINC000562700250 1128418297 /nfs/dbraw/zinc/41/82/97/1128418297.db2.gz OLDMEBAZLXTOTG-UHFFFAOYSA-N 0 1 294.424 3.643 20 0 CHADMN CCCc1nc(C)c(CSc2n[nH]c(C(C)(C)C)n2)o1 ZINC000562700250 1128418299 /nfs/dbraw/zinc/41/82/99/1128418299.db2.gz OLDMEBAZLXTOTG-UHFFFAOYSA-N 0 1 294.424 3.643 20 0 CHADMN CC=Cc1ccc(NC(=O)c2cn[nH]c2C(C)C)cc1 ZINC000561648244 1128343756 /nfs/dbraw/zinc/34/37/56/1128343756.db2.gz SDOKAXHSHATAPL-PLNGDYQASA-N 0 1 269.348 3.819 20 0 CHADMN CCCC[C@@H](CC)[N@H+]1CCCn2cnc(COCC)c2C1 ZINC001257422639 1128353735 /nfs/dbraw/zinc/35/37/35/1128353735.db2.gz VOCSVWXWMGTDJO-OAHLLOKOSA-N 0 1 293.455 3.594 20 0 CHADMN CCCC[C@@H](CC)N1CCCn2cnc(COCC)c2C1 ZINC001257422639 1128353738 /nfs/dbraw/zinc/35/37/38/1128353738.db2.gz VOCSVWXWMGTDJO-OAHLLOKOSA-N 0 1 293.455 3.594 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1CCCCCC1 ZINC000025407651 1128361162 /nfs/dbraw/zinc/36/11/62/1128361162.db2.gz ZOAPYISPJVRTHQ-ZDUSSCGKSA-N 0 1 294.826 3.851 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1CCC(c2ncco2)CC1 ZINC000931451698 1128361629 /nfs/dbraw/zinc/36/16/29/1128361629.db2.gz NLFPFYQDGWFLBD-LBPRGKRZSA-N 0 1 274.339 3.754 20 0 CHADMN C[C@H]1CN([C@@H]2CCCc3ccc(F)cc32)Cc2c[nH]nc21 ZINC000931460858 1128362810 /nfs/dbraw/zinc/36/28/10/1128362810.db2.gz NKEVWTCCWRWCBO-MEDUHNTESA-N 0 1 285.366 3.546 20 0 CHADMN OC[C@H](NCc1ccccc1CF)c1ccc(Cl)cc1 ZINC000931503031 1128365735 /nfs/dbraw/zinc/36/57/35/1128365735.db2.gz XHABKIKYPDGXGS-INIZCTEOSA-N 0 1 293.769 3.633 20 0 CHADMN CC[C@@H](C)NCc1c(F)c(F)cc(Br)c1F ZINC001257427877 1128367854 /nfs/dbraw/zinc/36/78/54/1128367854.db2.gz BFZZQGICZKNPJK-ZCFIWIBFSA-N 0 1 296.130 3.755 20 0 CHADMN CN(Cc1nncs1)C1(Cc2ccccc2)CCCC1 ZINC000931623193 1128372514 /nfs/dbraw/zinc/37/25/14/1128372514.db2.gz WYMQHJZTNYHUBK-UHFFFAOYSA-N 0 1 287.432 3.525 20 0 CHADMN CCCCCC[C@@H](C)CC(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000763199522 1128373306 /nfs/dbraw/zinc/37/33/06/1128373306.db2.gz CLKZZUAJOOAKFY-OLZOCXBDSA-N 0 1 294.443 3.541 20 0 CHADMN FC(F)(F)c1ccc([C@H]2CCN(Cc3cocn3)C2)cc1 ZINC000763199920 1128373344 /nfs/dbraw/zinc/37/33/44/1128373344.db2.gz VIHGENGAMCQGFX-LBPRGKRZSA-N 0 1 296.292 3.683 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000763199524 1128373466 /nfs/dbraw/zinc/37/34/66/1128373466.db2.gz CLKZZUAJOOAKFY-QWHCGFSZSA-N 0 1 294.443 3.541 20 0 CHADMN CCc1nc(CN(C)C[C@H](C)C(C)(C)C)cs1 ZINC000670262934 1128374537 /nfs/dbraw/zinc/37/45/37/1128374537.db2.gz KBHXGGHMRXSYGR-NSHDSACASA-N 0 1 254.443 3.820 20 0 CHADMN Cc1ncc(CN2CCCSC[C@@H]2c2ccccc2)o1 ZINC000931693356 1128376750 /nfs/dbraw/zinc/37/67/50/1128376750.db2.gz AYWIMISGDOHHAU-MRXNPFEDSA-N 0 1 288.416 3.663 20 0 CHADMN O=C(CCc1ccccc1Cl)Nc1ccc2nc[nH]c2c1 ZINC000244399473 1128380289 /nfs/dbraw/zinc/38/02/89/1128380289.db2.gz YJLSEMUAIVHIOE-UHFFFAOYSA-N 0 1 299.761 3.788 20 0 CHADMN Cc1nnc([C@H](C)N[C@H]2CCc3cccc4cccc2c43)[nH]1 ZINC000931808685 1128381672 /nfs/dbraw/zinc/38/16/72/1128381672.db2.gz JKEWKBAOYNSQKC-ZBEGNZNMSA-N 0 1 292.386 3.604 20 0 CHADMN Cc1nnc([C@@H](C)N[C@H]2CCc3cccc4cccc2c43)[nH]1 ZINC000931808683 1128381942 /nfs/dbraw/zinc/38/19/42/1128381942.db2.gz JKEWKBAOYNSQKC-BZNIZROVSA-N 0 1 292.386 3.604 20 0 CHADMN COC(=O)c1ccc(CN2CCCC[C@H]2c2ccccc2)o1 ZINC000562246110 1128390203 /nfs/dbraw/zinc/39/02/03/1128390203.db2.gz FLEKXRAUZWAXAE-INIZCTEOSA-N 0 1 299.370 3.793 20 0 CHADMN CC(C)[C@@H](c1ccc(F)cc1)N(C)Cc1ccno1 ZINC000562425263 1128401302 /nfs/dbraw/zinc/40/13/02/1128401302.db2.gz LZBRUBYSKXWMEB-HNNXBMFYSA-N 0 1 262.328 3.643 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2C[C@@H]1C)c1cn2ccccc2n1 ZINC000562492608 1128405258 /nfs/dbraw/zinc/40/52/58/1128405258.db2.gz GFYHECVLTHIMHX-CKFHNAJUSA-N 0 1 291.398 3.918 20 0 CHADMN C(=C\c1ccccc1)\CCN[C@H](c1ncccn1)C1CC1 ZINC000932356949 1128405799 /nfs/dbraw/zinc/40/57/99/1128405799.db2.gz UVHNRPGSMCPRGR-ASRSSLEJSA-N 0 1 279.387 3.621 20 0 CHADMN CC[C@@H](CC(F)(F)F)NCc1nc(-c2ccccc2)c[nH]1 ZINC000562505633 1128406142 /nfs/dbraw/zinc/40/61/42/1128406142.db2.gz ZUKMTMMAPCJHMO-LBPRGKRZSA-N 0 1 297.324 3.897 20 0 CHADMN C[C@H](C(=O)Nc1ccccc1)N1Cc2ccccc2[C@H](C)C1 ZINC000916151251 1128410241 /nfs/dbraw/zinc/41/02/41/1128410241.db2.gz CYAHVPACOORCDX-HUUCEWRRSA-N 0 1 294.398 3.633 20 0 CHADMN CCc1ccc(CN(Cc2ccccn2)CC(C)C)nc1 ZINC000932448443 1128410976 /nfs/dbraw/zinc/41/09/76/1128410976.db2.gz QEWNOXFNYOWYEB-UHFFFAOYSA-N 0 1 283.419 3.697 20 0 CHADMN OCc1ccc(CN2CC3(CCCC3)[C@H]2c2ccccc2)o1 ZINC000562573950 1128411790 /nfs/dbraw/zinc/41/17/90/1128411790.db2.gz JVKSMHSDYTWTHK-GOSISDBHSA-N 0 1 297.398 3.889 20 0 CHADMN FC(F)(F)C1=CCN(Cc2cccc3ncccc23)CC1 ZINC000638114073 1128412363 /nfs/dbraw/zinc/41/23/63/1128412363.db2.gz GVPOEKRRDVYFHV-UHFFFAOYSA-N 0 1 292.304 3.929 20 0 CHADMN Cc1ncccc1CNCc1ccccc1N1CCCCC1 ZINC000778115196 1128419197 /nfs/dbraw/zinc/41/91/97/1128419197.db2.gz NVFCYRKAJSZODT-UHFFFAOYSA-N 0 1 295.430 3.670 20 0 CHADMN CCC(C)(CC)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000932734115 1128419905 /nfs/dbraw/zinc/41/99/05/1128419905.db2.gz BEJSECCAEJHBPW-UHFFFAOYSA-N 0 1 295.333 3.809 20 0 CHADMN c1nc2ccc(NCc3scnc3C3CC3)cc2[nH]1 ZINC000562825677 1128422017 /nfs/dbraw/zinc/42/20/17/1128422017.db2.gz ZELVNOGZGNTVRW-UHFFFAOYSA-N 0 1 270.361 3.509 20 0 CHADMN Fc1cc(CN2CC[C@@H](c3ccccn3)C2)ccc1Cl ZINC000798963481 1128425151 /nfs/dbraw/zinc/42/51/51/1128425151.db2.gz FPVLSDZDQYMJSU-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1nnc(CN2C[C@@H](c3ccccc3)CC2(C)C)s1 ZINC000932899327 1128426130 /nfs/dbraw/zinc/42/61/30/1128426130.db2.gz SAIFSFQYTPIEFE-AWEZNQCLSA-N 0 1 287.432 3.615 20 0 CHADMN Cc1nnc(CN2CCC[C@@]2(C)Cc2cccs2)s1 ZINC000932922621 1128426580 /nfs/dbraw/zinc/42/65/80/1128426580.db2.gz MZHRKQJMFHHGSF-AWEZNQCLSA-N 0 1 293.461 3.505 20 0 CHADMN CC(=O)c1cc(CN2C[C@H](c3ccccc3)CC2(C)C)on1 ZINC000932906837 1128426833 /nfs/dbraw/zinc/42/68/33/1128426833.db2.gz XOUNWQSIAAOZLZ-OAHLLOKOSA-N 0 1 298.386 3.645 20 0 CHADMN CC[C@H]1CN(CCCOc2c(C)cccc2C)C[C@@H](C)O1 ZINC000496982372 1128434836 /nfs/dbraw/zinc/43/48/36/1128434836.db2.gz JHZQHIJVSWOEPW-SJORKVTESA-N 0 1 291.435 3.572 20 0 CHADMN COc1ncccc1CN[C@H](C)c1cc(C)c(C)cc1C ZINC000037650334 1128434903 /nfs/dbraw/zinc/43/49/03/1128434903.db2.gz SHKLMFUNIKCVLO-OAHLLOKOSA-N 0 1 284.403 3.866 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(Br)cs2)C1 ZINC000125697088 1128451999 /nfs/dbraw/zinc/45/19/99/1128451999.db2.gz MURMEIHLUPIVJQ-BDAKNGLRSA-N 0 1 274.227 3.741 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2cc(Br)cs2)C1 ZINC000125697088 1128452002 /nfs/dbraw/zinc/45/20/02/1128452002.db2.gz MURMEIHLUPIVJQ-BDAKNGLRSA-N 0 1 274.227 3.741 20 0 CHADMN CCC[C@](C)(NCc1cc(C)no1)c1ccccc1 ZINC000934179576 1128453200 /nfs/dbraw/zinc/45/32/00/1128453200.db2.gz GEYHELBYVNSPLZ-INIZCTEOSA-N 0 1 258.365 3.788 20 0 CHADMN CCC[C@](C)(NCc1n[nH]cc1C)c1ccccc1 ZINC000934179638 1128453258 /nfs/dbraw/zinc/45/32/58/1128453258.db2.gz IPJKPHVTUHRRKR-INIZCTEOSA-N 0 1 257.381 3.523 20 0 CHADMN C[C@@H](N[C@@H]1CCc2c1cc(F)cc2F)c1cncs1 ZINC000934195434 1128454382 /nfs/dbraw/zinc/45/43/82/1128454382.db2.gz OKBBWZXKTKDSJP-AMIZOPFISA-N 0 1 280.343 3.759 20 0 CHADMN CCSc1cc(CNCc2cc(C)oc2C)ccn1 ZINC000778210088 1128450414 /nfs/dbraw/zinc/45/04/14/1128450414.db2.gz XVYIZPDLGJMDTB-UHFFFAOYSA-N 0 1 276.405 3.693 20 0 CHADMN CC(C)(NCc1ccc(Cl)cn1)c1ccc(F)cc1 ZINC000778219258 1128450754 /nfs/dbraw/zinc/45/07/54/1128450754.db2.gz AKJJFWGVJKNSJR-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN CC(C)CCN(CCC(C)C)Cc1nnc(C2CC2)o1 ZINC000125673801 1128451426 /nfs/dbraw/zinc/45/14/26/1128451426.db2.gz AQXARUNUXURDBI-UHFFFAOYSA-N 0 1 279.428 3.841 20 0 CHADMN Cc1cccnc1[C@@H](NCc1cncc(F)c1)C(C)(C)C ZINC000934289756 1128456745 /nfs/dbraw/zinc/45/67/45/1128456745.db2.gz QRFGVYBWOMWOBJ-MRXNPFEDSA-N 0 1 287.382 3.801 20 0 CHADMN Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000126087872 1128460885 /nfs/dbraw/zinc/46/08/85/1128460885.db2.gz QLKJFDCKEYYUEJ-GOSISDBHSA-N 0 1 267.372 3.569 20 0 CHADMN Cc1ccccc1[C@H]1CN(Cc2ccccc2)CCO1 ZINC000126087872 1128460887 /nfs/dbraw/zinc/46/08/87/1128460887.db2.gz QLKJFDCKEYYUEJ-GOSISDBHSA-N 0 1 267.372 3.569 20 0 CHADMN C[C@]1(C2CC2)COCC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000934478283 1128461792 /nfs/dbraw/zinc/46/17/92/1128461792.db2.gz SVRWUUVLELOBAJ-MRXNPFEDSA-N 0 1 281.346 3.625 20 0 CHADMN C[C@]1(C2CC2)COCCN1Cc1ccc(C(F)F)cc1 ZINC000934478283 1128461794 /nfs/dbraw/zinc/46/17/94/1128461794.db2.gz SVRWUUVLELOBAJ-MRXNPFEDSA-N 0 1 281.346 3.625 20 0 CHADMN C=CC[C@H](C(=O)NOCc1ccccc1)c1ccccc1 ZINC000187494855 1128463354 /nfs/dbraw/zinc/46/33/54/1128463354.db2.gz RFYXKFXIZHUQSF-KRWDZBQOSA-N 0 1 281.355 3.594 20 0 CHADMN CSCC[C@H](C)[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000126508643 1128464226 /nfs/dbraw/zinc/46/42/26/1128464226.db2.gz WEHUOYMWLLJZMS-NSHDSACASA-N 0 1 296.461 3.977 20 0 CHADMN CSCC[C@H](C)N(C)Cc1ncc(-c2cccs2)o1 ZINC000126508643 1128464230 /nfs/dbraw/zinc/46/42/30/1128464230.db2.gz WEHUOYMWLLJZMS-NSHDSACASA-N 0 1 296.461 3.977 20 0 CHADMN Cc1cccc(C)c1CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000126693173 1128465663 /nfs/dbraw/zinc/46/56/63/1128465663.db2.gz PQVNWQOILXRHDF-IBGZPJMESA-N 0 1 297.398 3.583 20 0 CHADMN CSCC(C)(C)NCc1coc(-c2ccc(C)cc2)n1 ZINC000934674656 1128465756 /nfs/dbraw/zinc/46/57/56/1128465756.db2.gz CPZYPFIQXWGJPF-UHFFFAOYSA-N 0 1 290.432 3.881 20 0 CHADMN CCCCOC(=O)CCN(C)[C@H](C)c1ccccc1F ZINC000917064363 1128473228 /nfs/dbraw/zinc/47/32/28/1128473228.db2.gz QBCDRBODGHNCIE-CYBMUJFWSA-N 0 1 281.371 3.552 20 0 CHADMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)C1CCCC1 ZINC000066445333 1128474110 /nfs/dbraw/zinc/47/41/10/1128474110.db2.gz WRKIJXJGGVPSOC-HNNXBMFYSA-N 0 1 299.374 3.543 20 0 CHADMN CO[C@H](C)c1nc(CN2CC[C@@H](C)C[C@@H](C)C2)cs1 ZINC000127257827 1128474459 /nfs/dbraw/zinc/47/44/59/1128474459.db2.gz NCQNDTABDRESKG-JHJVBQTASA-N 0 1 282.453 3.719 20 0 CHADMN c1cc2cc(CN3CCOC4(CCCCC4)C3)ccc2o1 ZINC000563778794 1128478830 /nfs/dbraw/zinc/47/88/30/1128478830.db2.gz YXQMGZBVQAMZHS-UHFFFAOYSA-N 0 1 285.387 3.968 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ncccc2[O-])c1C ZINC000563750107 1128477452 /nfs/dbraw/zinc/47/74/52/1128477452.db2.gz IDNYXOZCFAPHSS-KRWDZBQOSA-N 0 1 282.387 3.741 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2ncccc2[O-])c1C ZINC000563750107 1128477453 /nfs/dbraw/zinc/47/74/53/1128477453.db2.gz IDNYXOZCFAPHSS-KRWDZBQOSA-N 0 1 282.387 3.741 20 0 CHADMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000563748605 1128477481 /nfs/dbraw/zinc/47/74/81/1128477481.db2.gz KMOACPWWIQBXHK-CJNGLKHVSA-N 0 1 297.402 3.727 20 0 CHADMN Cc1cccc([C@H]2CCC[N@@H+]2Cc2ncccc2[O-])c1C ZINC000563750108 1128477518 /nfs/dbraw/zinc/47/75/18/1128477518.db2.gz IDNYXOZCFAPHSS-QGZVFWFLSA-N 0 1 282.387 3.741 20 0 CHADMN Cc1cccc([C@H]2CCC[N@H+]2Cc2ncccc2[O-])c1C ZINC000563750108 1128477519 /nfs/dbraw/zinc/47/75/19/1128477519.db2.gz IDNYXOZCFAPHSS-QGZVFWFLSA-N 0 1 282.387 3.741 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C[C@H]3CCCC3(F)F)ccc12 ZINC000935196034 1128482464 /nfs/dbraw/zinc/48/24/64/1128482464.db2.gz CCPDXVVYENISIX-SNVBAGLBSA-N 0 1 293.317 3.635 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226419896 1128485203 /nfs/dbraw/zinc/48/52/03/1128485203.db2.gz YLJNEQZCNGBZLX-RYUDHWBXSA-N 0 1 281.783 3.588 20 0 CHADMN C[C@@H](Sc1nc(C2CC2)n[nH]1)c1ccccc1F ZINC000128203168 1128488839 /nfs/dbraw/zinc/48/88/39/1128488839.db2.gz FRFRMGZTZVQREJ-MRVPVSSYSA-N 0 1 263.341 3.675 20 0 CHADMN C[C@@H](Sc1n[nH]c(C2CC2)n1)c1ccccc1F ZINC000128203168 1128488840 /nfs/dbraw/zinc/48/88/40/1128488840.db2.gz FRFRMGZTZVQREJ-MRVPVSSYSA-N 0 1 263.341 3.675 20 0 CHADMN CCN(Cc1cnoc1C)[C@H](C)c1ccc(F)cc1 ZINC000128348245 1128492718 /nfs/dbraw/zinc/49/27/18/1128492718.db2.gz RNYHPFQKYSOFOY-LLVKDONJSA-N 0 1 262.328 3.705 20 0 CHADMN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccccn2)c1 ZINC000089724737 1128492046 /nfs/dbraw/zinc/49/20/46/1128492046.db2.gz GYTKQRGVSIINTO-ZBFHGGJFSA-N 0 1 295.386 3.613 20 0 CHADMN CCC1CCC(N(CN2CCSC2=O)C2CC2)CC1 ZINC000917440626 1128499292 /nfs/dbraw/zinc/49/92/92/1128499292.db2.gz XHFJCTINAFVUPJ-UHFFFAOYSA-N 0 1 282.453 3.546 20 0 CHADMN CCc1ccc([C@@H](C)NC[C@@H](O)c2c(F)cccc2F)o1 ZINC000090078639 1128510929 /nfs/dbraw/zinc/51/09/29/1128510929.db2.gz RWYIKRRQGDCIEL-QMTHXVAHSA-N 0 1 295.329 3.504 20 0 CHADMN Cc1oncc1CN(Cc1ccc(C)c(C)c1)C1CC1 ZINC000128699898 1128511633 /nfs/dbraw/zinc/51/16/33/1128511633.db2.gz FJAVZBZRBVQKNE-UHFFFAOYSA-N 0 1 270.376 3.764 20 0 CHADMN Cc1ccc(C)c([C@@H](C)[N@@H+](C)CC2(CC(=O)[O-])CC2)c1 ZINC000567116655 1128558288 /nfs/dbraw/zinc/55/82/88/1128558288.db2.gz GCZZRMFDDIYHNT-CQSZACIVSA-N 0 1 275.392 3.551 20 0 CHADMN CCc1ccc(CN[C@H]2c3ccccc3O[C@@H]2C)cc1 ZINC000564680243 1128513906 /nfs/dbraw/zinc/51/39/06/1128513906.db2.gz TWAVLBXKCUSSLJ-FZKQIMNGSA-N 0 1 267.372 3.861 20 0 CHADMN C[C@H](c1ccccc1)N1CCC2(C1)Oc1ccccc1O2 ZINC000564683057 1128514116 /nfs/dbraw/zinc/51/41/16/1128514116.db2.gz MAKFGVCAZSUUHG-CQSZACIVSA-N 0 1 281.355 3.621 20 0 CHADMN CC1(C)[C@@H](c2ccccc2)CC[N@H+]1CCCCCC(=O)[O-] ZINC000564739299 1128514617 /nfs/dbraw/zinc/51/46/17/1128514617.db2.gz YLPQZTXOZBHNKQ-MRXNPFEDSA-N 0 1 289.419 3.900 20 0 CHADMN CCCCC[C@@H](C)NC1(c2cccc(F)c2)COC1 ZINC001257502596 1128515053 /nfs/dbraw/zinc/51/50/53/1128515053.db2.gz PLLZHUUMNMSDMG-CYBMUJFWSA-N 0 1 265.372 3.610 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccnc(Cl)c3Cl)c2c1 ZINC001212229633 1128517924 /nfs/dbraw/zinc/51/79/24/1128517924.db2.gz BFKJWDCLTPKMMN-UHFFFAOYSA-N 0 1 293.157 3.618 20 0 CHADMN c1ccc(COc2ccc(CN3CCCCC3)cn2)cc1 ZINC000565163543 1128520500 /nfs/dbraw/zinc/52/05/00/1128520500.db2.gz LCUYMGMMJIYRNK-UHFFFAOYSA-N 0 1 282.387 3.647 20 0 CHADMN Cc1noc([C@@H](C)[N@@H+](C)C[C@H]2CCCC(C)(C)C2)n1 ZINC000565230383 1128522293 /nfs/dbraw/zinc/52/22/93/1128522293.db2.gz RCGNEYMEEAEREP-YPMHNXCESA-N 0 1 265.401 3.587 20 0 CHADMN Cc1noc([C@@H](C)N(C)C[C@H]2CCCC(C)(C)C2)n1 ZINC000565230383 1128522296 /nfs/dbraw/zinc/52/22/96/1128522296.db2.gz RCGNEYMEEAEREP-YPMHNXCESA-N 0 1 265.401 3.587 20 0 CHADMN CC/C=C\CC[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000565255083 1128523247 /nfs/dbraw/zinc/52/32/47/1128523247.db2.gz QFPLGZZHXXFEHN-HFZJXRFXSA-N 0 1 273.376 3.633 20 0 CHADMN C[N@@H+](Cc1ccc(OCC2CC2)cc1)Cc1cccc(O)c1 ZINC000567208626 1128559454 /nfs/dbraw/zinc/55/94/54/1128559454.db2.gz GACVPKLDFOMSRT-UHFFFAOYSA-N 0 1 297.398 3.813 20 0 CHADMN CN(Cc1ccc(OCC2CC2)cc1)Cc1cccc(O)c1 ZINC000567208626 1128559457 /nfs/dbraw/zinc/55/94/57/1128559457.db2.gz GACVPKLDFOMSRT-UHFFFAOYSA-N 0 1 297.398 3.813 20 0 CHADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC000565541982 1128528527 /nfs/dbraw/zinc/52/85/27/1128528527.db2.gz BSVJZTYBGHJDGL-JTQLQIEISA-N 0 1 281.783 3.659 20 0 CHADMN CC[N@@H+](Cc1cccc(F)c1)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000565780478 1128532742 /nfs/dbraw/zinc/53/27/42/1128532742.db2.gz XZMVJROUWGIHTN-LLVKDONJSA-N 0 1 291.322 3.700 20 0 CHADMN C[C@H]1CCCC[N@H+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000565838680 1128533434 /nfs/dbraw/zinc/53/34/34/1128533434.db2.gz QHONBUCYWDZIJM-HZMBPMFUSA-N 0 1 299.773 3.727 20 0 CHADMN C[C@@H]1CCCC[N@H+]([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000565838687 1128533824 /nfs/dbraw/zinc/53/38/24/1128533824.db2.gz QHONBUCYWDZIJM-QMTHXVAHSA-N 0 1 299.773 3.727 20 0 CHADMN CCCN(C)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000069091866 1128534131 /nfs/dbraw/zinc/53/41/31/1128534131.db2.gz SLNGJFINYOPZJH-QGZVFWFLSA-N 0 1 282.387 3.708 20 0 CHADMN CC(C)(C)c1nc(CN[C@H](CC2CC2)c2ccccc2)n[nH]1 ZINC000565870532 1128534448 /nfs/dbraw/zinc/53/44/48/1128534448.db2.gz VJOSEOGLFMHGSY-OAHLLOKOSA-N 0 1 298.434 3.733 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)C1(C(F)F)CCCC1 ZINC000565927498 1128535110 /nfs/dbraw/zinc/53/51/10/1128535110.db2.gz XIOBSJHMWCBWQL-UHFFFAOYSA-N 0 1 289.709 3.810 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](CCC)CCc1cccc(F)c1 ZINC000566015514 1128536838 /nfs/dbraw/zinc/53/68/38/1128536838.db2.gz ZFTOQOYFMXOJGS-INIZCTEOSA-N 0 1 295.398 3.724 20 0 CHADMN CC[C@H](O)CNc1ccc(N2CCCCCC2)cc1C ZINC000566129118 1128538899 /nfs/dbraw/zinc/53/88/99/1128538899.db2.gz WPSYKOBBZILXEU-INIZCTEOSA-N 0 1 276.424 3.558 20 0 CHADMN CN(Cc1coc(-c2cccc(F)c2)n1)C(C)(C)C ZINC000566184836 1128539509 /nfs/dbraw/zinc/53/95/09/1128539509.db2.gz QDJBAUQTNJKZNY-UHFFFAOYSA-N 0 1 262.328 3.711 20 0 CHADMN CC[C@H](Cc1ccccc1)c1nc([C@@H](N)CC(C)C)no1 ZINC000566216467 1128539787 /nfs/dbraw/zinc/53/97/87/1128539787.db2.gz ZOUICIIEWMWWRS-CABCVRRESA-N 0 1 287.407 3.852 20 0 CHADMN O=C(NCC1CCCCCCC1)c1n[nH]c2ccccc21 ZINC000918369563 1128543246 /nfs/dbraw/zinc/54/32/46/1128543246.db2.gz SARAIPADXGZZPF-UHFFFAOYSA-N 0 1 285.391 3.653 20 0 CHADMN CCCN(CC1CCCCC1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000194622563 1128543511 /nfs/dbraw/zinc/54/35/11/1128543511.db2.gz OSNHFKUBWHDMQI-UHFFFAOYSA-N 0 1 289.423 3.720 20 0 CHADMN CC[C@H](c1ccccc1)N(CC)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000566436457 1128544524 /nfs/dbraw/zinc/54/45/24/1128544524.db2.gz KMMDQAYCHNXDFY-RHSMWYFYSA-N 0 1 299.418 3.588 20 0 CHADMN NC1(c2noc(/C=C/c3cccc(Cl)c3)n2)CCCC1 ZINC000566738482 1128550527 /nfs/dbraw/zinc/55/05/27/1128550527.db2.gz VONSWIXKAWSNCK-VOTSOKGWSA-N 0 1 289.766 3.621 20 0 CHADMN CC(C)=CCC[C@@H](C)CC(=O)NCc1ccc2cncn2c1 ZINC000566914750 1128554416 /nfs/dbraw/zinc/55/44/16/1128554416.db2.gz CERCVAGMQKJPCG-OAHLLOKOSA-N 0 1 299.418 3.723 20 0 CHADMN CC[C@@H]1CC[C@H]1N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000566941697 1128554978 /nfs/dbraw/zinc/55/49/78/1128554978.db2.gz QOKWYWODBAFAKX-OUCADQQQSA-N 0 1 277.412 3.957 20 0 CHADMN Cc1cc(CN[C@@H]2c3ccc(F)cc3O[C@H]2C)ccc1F ZINC000567271063 1128561373 /nfs/dbraw/zinc/56/13/73/1128561373.db2.gz ACOLGFMBXXNMNO-GTNSWQLSSA-N 0 1 289.325 3.885 20 0 CHADMN CC[C@@H](C)[C@H]([NH2+]Cc1c[nH]cn1)c1ccc(Cl)cc1 ZINC000556665307 1128613072 /nfs/dbraw/zinc/61/30/72/1128613072.db2.gz AICITVHKLXXGOT-ABAIWWIYSA-N 0 1 277.799 3.940 20 0 CHADMN C[C@@H](N[C@H](c1ccc(F)cc1)C(C)(C)C)c1nccn1C ZINC000070444689 1128564421 /nfs/dbraw/zinc/56/44/21/1128564421.db2.gz YFFSDWZTJDGYAT-IUODEOHRSA-N 0 1 289.398 3.997 20 0 CHADMN C[C@H]1CCCCN1Cc1coc(-c2c(F)cccc2F)n1 ZINC000131306315 1128613218 /nfs/dbraw/zinc/61/32/18/1128613218.db2.gz NWMLNXFVZQCNAT-NSHDSACASA-N 0 1 292.329 3.994 20 0 CHADMN CC(C)[C@H](Cc1ccc(F)cc1)NCC(C)(F)F ZINC000556234076 1128566442 /nfs/dbraw/zinc/56/64/42/1128566442.db2.gz UMAPETDQNXQEAD-ZDUSSCGKSA-N 0 1 259.315 3.638 20 0 CHADMN C[C@H]1CCC[C@@H](CCNC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000070549583 1128567340 /nfs/dbraw/zinc/56/73/40/1128567340.db2.gz VRURECLHEGDDOL-RYUDHWBXSA-N 0 1 295.810 3.992 20 0 CHADMN CC1(C)CN(C/C=C/c2ccccc2)[C@@H]1[C@@H]1CCCO1 ZINC000567548706 1128567518 /nfs/dbraw/zinc/56/75/18/1128567518.db2.gz NNROGRHBOHXILW-HYMNUWHNSA-N 0 1 271.404 3.589 20 0 CHADMN CCC(CC)[C@@H](C)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000498412059 1128572661 /nfs/dbraw/zinc/57/26/61/1128572661.db2.gz ZHBSANPQMPFISF-GFCCVEGCSA-N 0 1 287.407 3.560 20 0 CHADMN C[C@H]1CCCC[C@@H]1Cc1nc(C2(N)CCCCC2)no1 ZINC000567890686 1128573486 /nfs/dbraw/zinc/57/34/86/1128573486.db2.gz UYAGOIFHJNAMNI-QWHCGFSZSA-N 0 1 277.412 3.557 20 0 CHADMN CC[C@H](C)CCC(=O)Nc1cccc(Cl)c1O ZINC000568049034 1128576891 /nfs/dbraw/zinc/57/68/91/1128576891.db2.gz KEYNJBPHPYDRFY-VIFPVBQESA-N 0 1 255.745 3.810 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1csc2ccccc12 ZINC000568060627 1128577171 /nfs/dbraw/zinc/57/71/71/1128577171.db2.gz ISTYQTPFVPIHMK-AWEZNQCLSA-N 0 1 291.416 3.977 20 0 CHADMN C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1(C)C ZINC000568066340 1128577406 /nfs/dbraw/zinc/57/74/06/1128577406.db2.gz XQJBHITZEGROCE-BXUZGUMPSA-N 0 1 295.810 3.834 20 0 CHADMN CCc1ccc(C[N@@H+](CCCCCC(=O)[O-])C2CC2)cc1 ZINC000568098774 1128578075 /nfs/dbraw/zinc/57/80/75/1128578075.db2.gz SPQBBXCJBPRWHM-UHFFFAOYSA-N 0 1 289.419 3.858 20 0 CHADMN Cc1ccc(O)c(CN[C@H](C)c2ccc(F)cc2Cl)n1 ZINC000130319174 1128578685 /nfs/dbraw/zinc/57/86/85/1128578685.db2.gz JGJZGCVCAAWSKE-SNVBAGLBSA-N 0 1 294.757 3.739 20 0 CHADMN Cc1nc([C@H](C)Sc2nc3ccc(F)cc3s2)n[nH]1 ZINC000918932536 1128579906 /nfs/dbraw/zinc/57/99/06/1128579906.db2.gz VYHMGAWKXPGKTA-LURJTMIESA-N 0 1 294.380 3.715 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000568281625 1128581736 /nfs/dbraw/zinc/58/17/36/1128581736.db2.gz UPJIVFGGTNIGAO-STQMWFEESA-N 0 1 291.391 3.551 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CCCC(C)C)CC(=O)[O-] ZINC000568290821 1128581797 /nfs/dbraw/zinc/58/17/97/1128581797.db2.gz SOBBNJKYPNZRGC-INIZCTEOSA-N 0 1 277.408 3.961 20 0 CHADMN c1ccc2c(c1)snc2CN1CCC2(CC2)CC1 ZINC000660144874 1128582572 /nfs/dbraw/zinc/58/25/72/1128582572.db2.gz LQPKKXQNPIOMHP-UHFFFAOYSA-N 0 1 258.390 3.672 20 0 CHADMN Cc1cc(CNCc2ccc(C(C)(C)C)s2)nc(C)n1 ZINC000556409377 1128587130 /nfs/dbraw/zinc/58/71/30/1128587130.db2.gz UMBLEIJYOKKZHF-UHFFFAOYSA-N 0 1 289.448 3.742 20 0 CHADMN CCC[C@H](CC)NC(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000568699953 1128590988 /nfs/dbraw/zinc/59/09/88/1128590988.db2.gz PCQYQZDHKVCMHL-DLBZAZTESA-N 0 1 290.451 3.592 20 0 CHADMN CC1(C)CN(Cc2ccnn2-c2ccc(F)cc2)[C@@H]1C1CC1 ZINC000568921263 1128594843 /nfs/dbraw/zinc/59/48/43/1128594843.db2.gz DAQISOAUTHQZTF-QGZVFWFLSA-N 0 1 299.393 3.632 20 0 CHADMN C[C@H]1C[C@@H](CN2CCc3sc(Cl)cc3C2)CCO1 ZINC000568979681 1128595265 /nfs/dbraw/zinc/59/52/65/1128595265.db2.gz NBMAYMLGBIVQAQ-QWRGUYRKSA-N 0 1 285.840 3.575 20 0 CHADMN CCC[C@H](C[N@H+]1CCC[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000569092607 1128598240 /nfs/dbraw/zinc/59/82/40/1128598240.db2.gz WDMAEYWLTGUHMJ-NVXWUHKLSA-N 0 1 289.419 3.757 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1ncccc1[O-] ZINC000569171570 1128600775 /nfs/dbraw/zinc/60/07/75/1128600775.db2.gz ILUAZFCSNGLUJJ-INIZCTEOSA-N 0 1 284.403 3.549 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1ncccc1[O-] ZINC000569171570 1128600779 /nfs/dbraw/zinc/60/07/79/1128600779.db2.gz ILUAZFCSNGLUJJ-INIZCTEOSA-N 0 1 284.403 3.549 20 0 CHADMN CCC(CC)[C@@H](NCc1cnccn1)c1cccs1 ZINC000569324875 1128604382 /nfs/dbraw/zinc/60/43/82/1128604382.db2.gz VMFKVCKKKQGXIQ-OAHLLOKOSA-N 0 1 275.421 3.805 20 0 CHADMN C[C@H](NC[C@H]1CC[C@H](c2ccccc2)O1)c1cscn1 ZINC000569499493 1128605437 /nfs/dbraw/zinc/60/54/37/1128605437.db2.gz JAGIYLSURVWVJN-JGGQBBKZSA-N 0 1 288.416 3.714 20 0 CHADMN CCCCN(C)[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000072513274 1128619665 /nfs/dbraw/zinc/61/96/65/1128619665.db2.gz XYTQXORNXCHNEJ-ZDUSSCGKSA-N 0 1 273.380 3.838 20 0 CHADMN CCN(CC)[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000072513445 1128619742 /nfs/dbraw/zinc/61/97/42/1128619742.db2.gz HUTMJXRGELFLDV-SNVBAGLBSA-N 0 1 279.771 3.793 20 0 CHADMN Cc1cccc([C@@H](C)N(C)CC(=O)Nc2ccccc2)c1 ZINC000072561937 1128622753 /nfs/dbraw/zinc/62/27/53/1128622753.db2.gz VCGBZDXRNAUTHF-OAHLLOKOSA-N 0 1 282.387 3.627 20 0 CHADMN CC(C)C[C@H](C)CNCc1ncc(-c2ccccc2)cn1 ZINC000570485321 1128625353 /nfs/dbraw/zinc/62/53/53/1128625353.db2.gz XBCUARBTFADTTG-HNNXBMFYSA-N 0 1 283.419 3.915 20 0 CHADMN CC(C)[C@H](N[C@@H]1CC[C@@H]1C(C)C)c1nc(C2CC2)no1 ZINC000556859302 1128631273 /nfs/dbraw/zinc/63/12/73/1128631273.db2.gz SNHGHWMBSYBTJA-MCIONIFRSA-N 0 1 277.412 3.668 20 0 CHADMN CC[N@@H+](CCC1CCCC1)C1CCC(C(=O)[O-])CC1 ZINC000570651599 1128628695 /nfs/dbraw/zinc/62/86/95/1128628695.db2.gz RCULLMUJXMGKRH-UHFFFAOYSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)(C)c1[nH]ncc1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000570652436 1128628882 /nfs/dbraw/zinc/62/88/82/1128628882.db2.gz TYJWWFGEJZOMMA-UHFFFAOYSA-N 0 1 295.745 3.752 20 0 CHADMN CCn1cccc1CN(C)Cc1cccc(OC(C)C)c1 ZINC000556888565 1128636430 /nfs/dbraw/zinc/63/64/30/1128636430.db2.gz AXUZNELMELQBQP-UHFFFAOYSA-N 0 1 286.419 3.927 20 0 CHADMN Cc1ccnc([C@H]2CCN(Cc3cc(F)ccc3F)C2)c1 ZINC000570823766 1128632945 /nfs/dbraw/zinc/63/29/45/1128632945.db2.gz MVJDKYUQVGDYJS-ZDUSSCGKSA-N 0 1 288.341 3.658 20 0 CHADMN CN(Cc1ccc(-c2ccccc2Cl)o1)[C@H]1CCOC1 ZINC000132142950 1128644074 /nfs/dbraw/zinc/64/40/74/1128644074.db2.gz NOUKBPDKSXARTE-LBPRGKRZSA-N 0 1 291.778 3.821 20 0 CHADMN CC(C)[C@@H]1CN([C@@H](C)c2ccc(F)c(F)c2)CCCO1 ZINC000572546061 1128645687 /nfs/dbraw/zinc/64/56/87/1128645687.db2.gz KDXRGVABFYUWNG-LRDDRELGSA-N 0 1 283.362 3.773 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1Cc1cc(C(C)(C)C)on1 ZINC000572625535 1128646104 /nfs/dbraw/zinc/64/61/04/1128646104.db2.gz KJTIBBBBLRUYOL-WCQYABFASA-N 0 1 250.386 3.593 20 0 CHADMN CCCc1nc(C)c(CNCc2cccc3ccoc32)o1 ZINC000572590472 1128646214 /nfs/dbraw/zinc/64/62/14/1128646214.db2.gz IWPJJFGLGLSGOR-UHFFFAOYSA-N 0 1 284.359 3.972 20 0 CHADMN CC(C)CCOc1ccc([C@@H](C)NCCF)cc1 ZINC000572624693 1128646337 /nfs/dbraw/zinc/64/63/37/1128646337.db2.gz XHDHZYYJHDIRQN-CYBMUJFWSA-N 0 1 253.361 3.732 20 0 CHADMN CC1(C)C[N@@H+](CCCCCC(=O)[O-])CC[C@@H]1C(F)(F)F ZINC000573379807 1128653799 /nfs/dbraw/zinc/65/37/99/1128653799.db2.gz SBNMGAVUFFWSRO-NSHDSACASA-N 0 1 295.345 3.542 20 0 CHADMN O=C([O-])[C@H]1CC[C@@H](c2ccccc2)[N@H+]1CC1=CCCCC1 ZINC000573459793 1128654199 /nfs/dbraw/zinc/65/41/99/1128654199.db2.gz FUPBRQOSGHLFDL-DLBZAZTESA-N 0 1 285.387 3.777 20 0 CHADMN Cc1nccc(N[C@@H]2CCOC3(CCCCC3)C2)c1Cl ZINC000499146480 1128654201 /nfs/dbraw/zinc/65/42/01/1128654201.db2.gz LNGFOTQXNJWSQI-CYBMUJFWSA-N 0 1 294.826 3.759 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H]2c2cccs2)sn1 ZINC000637865494 1129232233 /nfs/dbraw/zinc/23/22/33/1129232233.db2.gz AHLRAGCACBHECY-LBPRGKRZSA-N 0 1 264.419 3.850 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2cccs2)sn1 ZINC000637865494 1129232237 /nfs/dbraw/zinc/23/22/37/1129232237.db2.gz AHLRAGCACBHECY-LBPRGKRZSA-N 0 1 264.419 3.850 20 0 CHADMN CC(C)[C@H]1CN(C/C=C/c2ccc(F)cc2F)CCCO1 ZINC000556980406 1128655692 /nfs/dbraw/zinc/65/56/92/1128655692.db2.gz HNDMJLABNPBFDF-NJELEJDNSA-N 0 1 295.373 3.725 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000574922280 1128664859 /nfs/dbraw/zinc/66/48/59/1128664859.db2.gz MIROHTJXKQFJDD-USXIJHARSA-N 0 1 289.419 3.611 20 0 CHADMN C[C@@H](OC(=O)c1cccc2[nH]ncc21)c1ccc(F)cc1 ZINC000920154868 1128668217 /nfs/dbraw/zinc/66/82/17/1128668217.db2.gz SPXIPCLPIVPATN-SNVBAGLBSA-N 0 1 284.290 3.620 20 0 CHADMN Cc1ccc(C)c(OC2CCN(C/C=C\Cl)CC2)c1 ZINC000920207029 1128670738 /nfs/dbraw/zinc/67/07/38/1128670738.db2.gz VOQGAHKTLBQQSC-BAQGIRSFSA-N 0 1 279.811 3.899 20 0 CHADMN CC(C)(C)[C@H]1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000499284882 1128670750 /nfs/dbraw/zinc/67/07/50/1128670750.db2.gz FGXVNUIKFZMORD-AWEZNQCLSA-N 0 1 297.402 3.585 20 0 CHADMN NCc1nccn1CCCCc1ccc(Cl)c(Cl)c1 ZINC000630584087 1128671243 /nfs/dbraw/zinc/67/12/43/1128671243.db2.gz PQQZNZWAIXVQKP-UHFFFAOYSA-N 0 1 298.217 3.672 20 0 CHADMN CC[C@H](N[C@H](C)c1c[nH]nc1C)c1ccccc1OC ZINC000779014308 1128678867 /nfs/dbraw/zinc/67/88/67/1128678867.db2.gz ODOINXBMVLPBEW-ABAIWWIYSA-N 0 1 273.380 3.529 20 0 CHADMN CSCc1cccc(-c2ccc([C@@H]3COCCN3)cc2)c1 ZINC000600775854 1128680477 /nfs/dbraw/zinc/68/04/77/1128680477.db2.gz AIPOLIUHERTSNM-SFHVURJKSA-N 0 1 299.439 3.878 20 0 CHADMN CCOc1cccc(CN[C@@H](C)c2ccnc(Cl)c2)c1 ZINC000159399479 1128687905 /nfs/dbraw/zinc/68/79/05/1128687905.db2.gz YIEGQCFPYKVUPN-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN Cc1ccc(-c2cc(-c3nc(C(C)C)no3)[nH]n2)cc1C ZINC000577779434 1128689519 /nfs/dbraw/zinc/68/95/19/1128689519.db2.gz UEZMNDCSOOQPLP-UHFFFAOYSA-N 0 1 282.347 3.867 20 0 CHADMN CCc1ccc(CN(C)Cc2cccc3c2OCCO3)cc1 ZINC000920767695 1128690486 /nfs/dbraw/zinc/69/04/86/1128690486.db2.gz LCFOIZTVPIACER-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN CO[C@@](C)(CN(Cc1ccco1)Cc1ccco1)C1CC1 ZINC000637864033 1129232423 /nfs/dbraw/zinc/23/24/23/1129232423.db2.gz KNOZNVPZAFJMQJ-KRWDZBQOSA-N 0 1 289.375 3.690 20 0 CHADMN Cc1cc(-c2noc(C[C@H]3CCC[C@@H]3C)n2)cc2nc[nH]c21 ZINC000577898805 1128697373 /nfs/dbraw/zinc/69/73/73/1128697373.db2.gz PQTSJALLMWBQNV-CMPLNLGQSA-N 0 1 296.374 3.900 20 0 CHADMN Cc1csc(C2(NC3CC(OC(C)(C)C)C3)CCC2)n1 ZINC000352930115 1128697518 /nfs/dbraw/zinc/69/75/18/1128697518.db2.gz RFIFUDUXJDXZAN-UHFFFAOYSA-N 0 1 294.464 3.766 20 0 CHADMN Cc1ccc(CN[C@H]2c3ccccc3O[C@@H]2C)cc1 ZINC000578169226 1128709307 /nfs/dbraw/zinc/70/93/07/1128709307.db2.gz UHIZCUAEOUBGOD-CXAGYDPISA-N 0 1 253.345 3.607 20 0 CHADMN c1ccc2c(c1)SCC[C@H]2NCc1cccc2c1OCC2 ZINC000921488664 1128710671 /nfs/dbraw/zinc/71/06/71/1128710671.db2.gz DSKAACWMYASQKT-MRXNPFEDSA-N 0 1 297.423 3.948 20 0 CHADMN C[C@H](NCc1ccc2[nH]ccc2c1)c1nc2c(s1)CCC2 ZINC000578247505 1128712441 /nfs/dbraw/zinc/71/24/41/1128712441.db2.gz XWDTXVVOWJOAIO-NSHDSACASA-N 0 1 297.427 3.964 20 0 CHADMN CC(C)[C@H](N)c1cc(-c2nc3cc(Cl)ccc3o2)no1 ZINC000901398720 1128713152 /nfs/dbraw/zinc/71/31/52/1128713152.db2.gz HGNZFDSAXMFLOU-ZDUSSCGKSA-N 0 1 291.738 3.792 20 0 CHADMN CC[C@H]1CCCN(Cc2ccc(F)cc2C(=O)OC)CC1 ZINC000609766685 1128725409 /nfs/dbraw/zinc/72/54/09/1128725409.db2.gz DBNWZQLBLULNSO-ZDUSSCGKSA-N 0 1 293.382 3.624 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000578660429 1128725464 /nfs/dbraw/zinc/72/54/64/1128725464.db2.gz GTXADIPITYXHEQ-KRWDZBQOSA-N 0 1 289.419 3.729 20 0 CHADMN CCOc1ccc2ccccc2c1CN1CC(C(F)F)C1 ZINC001138445126 1128726277 /nfs/dbraw/zinc/72/62/77/1128726277.db2.gz WKJPWNFLCIOSIN-UHFFFAOYSA-N 0 1 291.341 3.935 20 0 CHADMN CC(C)C[C@@H](C)C[C@@H](C)NC1(c2ncccn2)CC1 ZINC001258063394 1128726648 /nfs/dbraw/zinc/72/66/48/1128726648.db2.gz SEEXLDKLCOKTLX-ZIAGYGMSSA-N 0 1 261.413 3.516 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@]2(C)CC(C)C)c1 ZINC000622637780 1117751154 /nfs/dbraw/zinc/75/11/54/1117751154.db2.gz GFIPTMZZEBKXBT-GOSISDBHSA-N 0 1 299.418 3.912 20 0 CHADMN C[C@@H](NCc1cccc(F)c1F)c1ccsc1 ZINC000061363053 1117751795 /nfs/dbraw/zinc/75/17/95/1117751795.db2.gz LUZMMXSCZLXSCZ-SECBINFHSA-N 0 1 253.317 3.877 20 0 CHADMN CC[C@@H]1CN(CC)CCN1C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000622651970 1117753315 /nfs/dbraw/zinc/75/33/15/1117753315.db2.gz YFLGDXIGLGRARD-HZPDHXFCSA-N 0 1 294.483 3.536 20 0 CHADMN C[C@H](N[C@H]1CCCSC1)c1nc(C(F)(F)F)cs1 ZINC000274601749 1117767552 /nfs/dbraw/zinc/76/75/52/1117767552.db2.gz LQDLLERXVQZHLH-YUMQZZPRSA-N 0 1 296.383 3.708 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1sc(C)nc1C ZINC000274617018 1117768503 /nfs/dbraw/zinc/76/85/03/1117768503.db2.gz VIVDAPNSWKSSMX-SECBINFHSA-N 0 1 282.434 3.681 20 0 CHADMN CC(C)c1ccc(N(C)C(=O)c2cccc3[nH]ncc32)cc1 ZINC000763753448 1117768746 /nfs/dbraw/zinc/76/87/46/1117768746.db2.gz CTAYERGVDMFPHO-UHFFFAOYSA-N 0 1 293.370 3.963 20 0 CHADMN Cc1ccc2nc(-c3cc(F)c(O)cc3F)ccc2n1 ZINC001206760636 1117779461 /nfs/dbraw/zinc/77/94/61/1117779461.db2.gz BHMGOIQTYNFIKK-UHFFFAOYSA-N 0 1 272.254 3.589 20 0 CHADMN CC(C)[C@H]1CCN([C@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000671241875 1117783742 /nfs/dbraw/zinc/78/37/42/1117783742.db2.gz MTHBDLJXHRINGP-HIFRSBDPSA-N 0 1 285.391 3.776 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1ccc(O)cc1 ZINC000035015113 1117790313 /nfs/dbraw/zinc/79/03/13/1117790313.db2.gz IONABORRQUCENE-ZDUSSCGKSA-N 0 1 271.360 3.560 20 0 CHADMN c1ccc(CN[C@@H](c2ccccc2)c2ccncc2)cc1 ZINC000035161424 1117790356 /nfs/dbraw/zinc/79/03/56/1117790356.db2.gz CDIVLALULYJYPQ-IBGZPJMESA-N 0 1 274.367 3.961 20 0 CHADMN CCCN(CCCc1ccc(Cl)cc1)CC(=O)OCC ZINC000610132611 1128739752 /nfs/dbraw/zinc/73/97/52/1128739752.db2.gz KSLAKZUZBBXFJS-UHFFFAOYSA-N 0 1 297.826 3.548 20 0 CHADMN CSCCCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185493674 1117829625 /nfs/dbraw/zinc/82/96/25/1117829625.db2.gz WYIBVOYUORZKMA-JTQLQIEISA-N 0 1 273.829 3.839 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1CCCC[C@H]1C ZINC000003538832 1117792828 /nfs/dbraw/zinc/79/28/28/1117792828.db2.gz FKQWTIUUEPCUNC-OAHLLOKOSA-N 0 1 288.435 3.931 20 0 CHADMN CCCN(C)CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000063762162 1117793980 /nfs/dbraw/zinc/79/39/80/1117793980.db2.gz SIQGSXDTLYUXHX-UHFFFAOYSA-N 0 1 298.386 3.759 20 0 CHADMN CCC[C@H](CC)C(=O)Nc1cc(F)cc(Cl)c1O ZINC001625783314 1117796419 /nfs/dbraw/zinc/79/64/19/1117796419.db2.gz QJJBOOKPKGQLJX-QMMMGPOBSA-N 0 1 273.735 3.950 20 0 CHADMN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1cc(F)cc(Cl)c1O ZINC001625783735 1117798105 /nfs/dbraw/zinc/79/81/05/1117798105.db2.gz ZTNFLQQXQNZNGE-CDLYGTGVSA-N 0 1 297.757 3.805 20 0 CHADMN C[C@@H]([NH2+]CCc1ccccc1O)c1cc(Cl)ccc1[O-] ZINC000185302803 1117806287 /nfs/dbraw/zinc/80/62/87/1117806287.db2.gz NYCZSSLJOJNIBN-LLVKDONJSA-N 0 1 291.778 3.645 20 0 CHADMN CC[C@H](NCc1cn(C)nc1C)c1ccc(Cl)s1 ZINC000339510530 1117814339 /nfs/dbraw/zinc/81/43/39/1117814339.db2.gz HRNNNGWBBTZERQ-NSHDSACASA-N 0 1 283.828 3.684 20 0 CHADMN Clc1cnc(CNC[C@@H]2C[C@H]2c2ccccc2)s1 ZINC000339509936 1117814795 /nfs/dbraw/zinc/81/47/95/1117814795.db2.gz AZPDLQSGOWGEDY-RYUDHWBXSA-N 0 1 278.808 3.690 20 0 CHADMN CCCCOc1ccc([C@@H](C)NCc2cc(C)ncn2)cc1 ZINC000671298255 1117815320 /nfs/dbraw/zinc/81/53/20/1117815320.db2.gz PPTIORJRGNPIHD-OAHLLOKOSA-N 0 1 299.418 3.815 20 0 CHADMN CCCCN(CCCC)C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623182464 1117819272 /nfs/dbraw/zinc/81/92/72/1117819272.db2.gz QXEBSAPKXSHCPD-UKRRQHHQSA-N 0 1 291.439 3.504 20 0 CHADMN Cc1ccc([C@@H]2COCCN2C[C@H](C)C(C)(C)C)o1 ZINC000670264513 1117822791 /nfs/dbraw/zinc/82/27/91/1117822791.db2.gz PNTSIVMINWTPRY-JSGCOSHPSA-N 0 1 265.397 3.644 20 0 CHADMN COc1ccnc(CN2CCCC[C@H]2c2ccccc2)c1 ZINC000358035811 1117831530 /nfs/dbraw/zinc/83/15/30/1117831530.db2.gz JJCXAHUBKAZVFK-SFHVURJKSA-N 0 1 282.387 3.817 20 0 CHADMN CC(C)(C)c1n[nH]c(SC/C=C\c2ccccc2)n1 ZINC000623332078 1117832350 /nfs/dbraw/zinc/83/23/50/1117832350.db2.gz VPYUWZFQSBPHIQ-YFHOEESVSA-N 0 1 273.405 3.908 20 0 CHADMN CC(C)(C)c1nc(SC/C=C\c2ccccc2)n[nH]1 ZINC000623332078 1117832358 /nfs/dbraw/zinc/83/23/58/1117832358.db2.gz VPYUWZFQSBPHIQ-YFHOEESVSA-N 0 1 273.405 3.908 20 0 CHADMN COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185564236 1117848447 /nfs/dbraw/zinc/84/84/47/1117848447.db2.gz XUTSSSVEDTXXTQ-WDEREUQCSA-N 0 1 285.815 3.900 20 0 CHADMN c1[nH]nc(-c2ccccc2)c1CNc1cc2c(cn1)CCC2 ZINC000339553897 1117850370 /nfs/dbraw/zinc/85/03/70/1117850370.db2.gz ISTXGYQNHCYJET-UHFFFAOYSA-N 0 1 290.370 3.573 20 0 CHADMN CC[C@@H]1CCN1Cc1cnc(-c2cccs2)s1 ZINC000430205845 1117865398 /nfs/dbraw/zinc/86/53/98/1117865398.db2.gz NQSGBCSAVDPBGL-SNVBAGLBSA-N 0 1 264.419 3.856 20 0 CHADMN Cc1cc(C)cc(CN2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000510089981 1117868120 /nfs/dbraw/zinc/86/81/20/1117868120.db2.gz XAAXNFLFCVYULC-QGZVFWFLSA-N 0 1 269.392 3.754 20 0 CHADMN CCc1cnc(CN[C@H]2CCC[C@@H]2Cc2ccccc2)o1 ZINC000579184740 1128740745 /nfs/dbraw/zinc/74/07/45/1128740745.db2.gz QLUVWDFWJDOHED-WBVHZDCISA-N 0 1 284.403 3.738 20 0 CHADMN CCSc1cccc(CNCc2ccns2)c1 ZINC000623597498 1117877898 /nfs/dbraw/zinc/87/78/98/1117877898.db2.gz OKAWIOPBSLTBCM-UHFFFAOYSA-N 0 1 264.419 3.545 20 0 CHADMN CCCCc1oc2ccccc2c1C[N@@H+](CC)CC(=O)[O-] ZINC000901427060 1128741285 /nfs/dbraw/zinc/74/12/85/1128741285.db2.gz ZXANLKXUHNOAKJ-UHFFFAOYSA-N 0 1 289.375 3.682 20 0 CHADMN CCC1CCC(N(Cc2nn(CC)nc2C)C2CC2)CC1 ZINC001167069448 1117881957 /nfs/dbraw/zinc/88/19/57/1117881957.db2.gz BIESLDJFISJTJG-UHFFFAOYSA-N 0 1 290.455 3.540 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccoc2)c2ccccc2n1 ZINC000177987224 1117884383 /nfs/dbraw/zinc/88/43/83/1117884383.db2.gz YAYFBQWXECKZEA-LBPRGKRZSA-N 0 1 282.343 3.687 20 0 CHADMN CC(C)OC[C@@H](C)NCc1c(Cl)oc2ccccc21 ZINC000623644988 1117885582 /nfs/dbraw/zinc/88/55/82/1117885582.db2.gz IYIYLRRYJBZFTL-LLVKDONJSA-N 0 1 281.783 3.989 20 0 CHADMN Cc1ccc(-c2ncc(CN[C@H]3CCC[C@@H]3F)s2)o1 ZINC000339590588 1117893317 /nfs/dbraw/zinc/89/33/17/1117893317.db2.gz QSYWVDLGYLPDCR-RYUDHWBXSA-N 0 1 280.368 3.692 20 0 CHADMN COc1ccccc1-c1ncc(C[N@@H+](C)CC(C)(C)C)cn1 ZINC000430226646 1117895115 /nfs/dbraw/zinc/89/51/15/1117895115.db2.gz PCCJZHIYGJXELP-UHFFFAOYSA-N 0 1 299.418 3.630 20 0 CHADMN CCC(F)(F)C(C)(C)CNCc1ncc(Cl)s1 ZINC000623698164 1117895886 /nfs/dbraw/zinc/89/58/86/1117895886.db2.gz PMDQJXLGHZDWKK-UHFFFAOYSA-N 0 1 282.787 3.958 20 0 CHADMN CC(C)[C@@H]1C[C@H](NCc2ccc(CO)o2)c2ccccc21 ZINC000623706692 1117896899 /nfs/dbraw/zinc/89/68/99/1117896899.db2.gz JPBJTHDJFAAZQV-ROUUACIJSA-N 0 1 285.387 3.746 20 0 CHADMN CSCC[N@@H+](Cc1ccccn1)Cc1ccccc1C ZINC000579250607 1128742495 /nfs/dbraw/zinc/74/24/95/1128742495.db2.gz YBUAKGAVXPWHFF-UHFFFAOYSA-N 0 1 286.444 3.755 20 0 CHADMN CSCCN(Cc1ccccn1)Cc1ccccc1C ZINC000579250607 1128742498 /nfs/dbraw/zinc/74/24/98/1128742498.db2.gz YBUAKGAVXPWHFF-UHFFFAOYSA-N 0 1 286.444 3.755 20 0 CHADMN CCCn1nccc1CN[C@@H]1CCc2cc(Cl)ccc21 ZINC000623708368 1117898634 /nfs/dbraw/zinc/89/86/34/1117898634.db2.gz GXOWKTRSRFYVGD-MRXNPFEDSA-N 0 1 289.810 3.724 20 0 CHADMN CC[C@H](CC1CCCC1)c1nc(C2(N)CCCC2)no1 ZINC000579836163 1117899702 /nfs/dbraw/zinc/89/97/02/1117899702.db2.gz BWHAOWRMAVTMJQ-CYBMUJFWSA-N 0 1 277.412 3.872 20 0 CHADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C1(CF)CCC1 ZINC000579241957 1128742692 /nfs/dbraw/zinc/74/26/92/1128742692.db2.gz GBBOTKPQPJYKRM-UHFFFAOYSA-N 0 1 297.280 3.579 20 0 CHADMN CCC(CC)CC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000615283584 1128743353 /nfs/dbraw/zinc/74/33/53/1128743353.db2.gz ZMWOKHPEGLYJHS-UHFFFAOYSA-N 0 1 287.363 3.547 20 0 CHADMN C/C=C\CNCc1c(Cl)cccc1N1CCCC1 ZINC000623739905 1117911266 /nfs/dbraw/zinc/91/12/66/1117911266.db2.gz JOUCMZWCBOSFMZ-IHWYPQMZSA-N 0 1 264.800 3.606 20 0 CHADMN Cc1nccc(N2CC[C@@H](c3ccc(O)cc3)C2)c1Cl ZINC000624723064 1117913193 /nfs/dbraw/zinc/91/31/93/1117913193.db2.gz FAFACIAEGRZVJY-CYBMUJFWSA-N 0 1 288.778 3.743 20 0 CHADMN Clc1oc2ccccc2c1CN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000623753711 1117919294 /nfs/dbraw/zinc/91/92/94/1117919294.db2.gz CNDGMVLMYSERMN-XHDPSFHLSA-N 0 1 291.778 3.743 20 0 CHADMN C[C@H](c1nc(-c2ccc(Cl)o2)no1)N1[C@H](C)CC[C@@H]1C ZINC000350911449 1117921964 /nfs/dbraw/zinc/92/19/64/1117921964.db2.gz RFRRLIYRZHZDLN-KXUCPTDWSA-N 0 1 295.770 3.917 20 0 CHADMN Clc1ccccc1-c1nc(-c2ccn3cncc3c2)no1 ZINC000351112801 1117926804 /nfs/dbraw/zinc/92/68/04/1117926804.db2.gz XRCANRDSKRXSDO-UHFFFAOYSA-N 0 1 296.717 3.705 20 0 CHADMN CC(=CC(=O)Nc1ccc2nc[nH]c2c1)c1cccs1 ZINC001625807000 1117927932 /nfs/dbraw/zinc/92/79/32/1117927932.db2.gz KJSHVYBXJFUHTJ-JXMROGBWSA-N 0 1 283.356 3.666 20 0 CHADMN CC(C)Oc1cccc(C[N@@H+](C)CC2CCC2)c1F ZINC001238426928 1117928603 /nfs/dbraw/zinc/92/86/03/1117928603.db2.gz LHSYIWAWAJHJAR-UHFFFAOYSA-N 0 1 265.372 3.845 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1ccc(F)c(F)c1C ZINC001299266074 1117940269 /nfs/dbraw/zinc/94/02/69/1117940269.db2.gz IQMILMYBWVXGJC-UHFFFAOYSA-N 0 1 298.377 3.724 20 0 CHADMN CCCCOCCN(C)Cc1cc(Cl)ccc1OC ZINC000615340405 1128745400 /nfs/dbraw/zinc/74/54/00/1128745400.db2.gz QOWUXNMHXFATGY-UHFFFAOYSA-N 0 1 285.815 3.597 20 0 CHADMN CCn1nccc1CN[C@@H]1CCCc2ccc(Cl)cc21 ZINC000623832739 1117943024 /nfs/dbraw/zinc/94/30/24/1117943024.db2.gz JKBRSHBMVXUOQS-MRXNPFEDSA-N 0 1 289.810 3.724 20 0 CHADMN Cc1ccc(CN(CCOCCC(C)C)C2CC2)o1 ZINC000615346899 1128745572 /nfs/dbraw/zinc/74/55/72/1128745572.db2.gz KEGSUXZCAUBCNA-UHFFFAOYSA-N 0 1 265.397 3.615 20 0 CHADMN Cc1cc(CN2Cc3cc(C)ccc3CC2(C)C)on1 ZINC000339635982 1117944368 /nfs/dbraw/zinc/94/43/68/1117944368.db2.gz JGEWIQVULCMVDR-UHFFFAOYSA-N 0 1 270.376 3.628 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc(C(C)C)c2)[nH]n1 ZINC000623896110 1117949902 /nfs/dbraw/zinc/94/99/02/1117949902.db2.gz IKCSGJOPZVLAOC-ZDUSSCGKSA-N 0 1 257.381 3.692 20 0 CHADMN Cc1csc([C@H](C)NC[C@@H](C)Oc2ccc(F)cc2)n1 ZINC000623899990 1117951277 /nfs/dbraw/zinc/95/12/77/1117951277.db2.gz ZTBRQYZOCXYAPX-NEPJUHHUSA-N 0 1 294.395 3.709 20 0 CHADMN Cc1csc([C@H](C)NC[C@H](C)Oc2ccccc2)n1 ZINC000623915031 1117953612 /nfs/dbraw/zinc/95/36/12/1117953612.db2.gz RVPAQBKDAHGPMY-STQMWFEESA-N 0 1 276.405 3.570 20 0 CHADMN CC1=C[C@H](C)CN([C@H](C)c2nc3ccccc3o2)C1 ZINC000430264787 1117958471 /nfs/dbraw/zinc/95/84/71/1117958471.db2.gz STFKVXZPRWKZFJ-WCQYABFASA-N 0 1 256.349 3.787 20 0 CHADMN CC(C)[C@]1(CO)CCCN(Cc2ccc(Cl)s2)C1 ZINC000339702572 1117960256 /nfs/dbraw/zinc/96/02/56/1117960256.db2.gz LYBXZWIYFCGZIB-CQSZACIVSA-N 0 1 287.856 3.632 20 0 CHADMN CCc1ccccc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000510133587 1117960500 /nfs/dbraw/zinc/96/05/00/1117960500.db2.gz NHMNWHGMBXWOKW-KRWDZBQOSA-N 0 1 269.392 3.699 20 0 CHADMN CCc1ccccc1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000510133587 1117960504 /nfs/dbraw/zinc/96/05/04/1117960504.db2.gz NHMNWHGMBXWOKW-KRWDZBQOSA-N 0 1 269.392 3.699 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@H]1CCCc2scnc21 ZINC000623960786 1117962364 /nfs/dbraw/zinc/96/23/64/1117962364.db2.gz HMOAJRVARZKWNO-BDAKNGLRSA-N 0 1 278.343 3.841 20 0 CHADMN CC(=O)c1cc(CN2CC[C@H](CC(C)(C)C)C2(C)C)on1 ZINC000579370256 1128746932 /nfs/dbraw/zinc/74/69/32/1128746932.db2.gz CCBADFODTWQWLY-CYBMUJFWSA-N 0 1 292.423 3.914 20 0 CHADMN CCC[C@H](NCc1cnnn1CC)c1cc(C)sc1C ZINC000624025981 1117974249 /nfs/dbraw/zinc/97/42/49/1117974249.db2.gz WZQWHFZFNMVLQB-HNNXBMFYSA-N 0 1 292.452 3.607 20 0 CHADMN Clc1cccc2c1CC[C@@H]2NCc1ccns1 ZINC000624047947 1117975212 /nfs/dbraw/zinc/97/52/12/1117975212.db2.gz WLMRFDLHKTVJFO-ZDUSSCGKSA-N 0 1 264.781 3.574 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1ccns1 ZINC000624047475 1117975217 /nfs/dbraw/zinc/97/52/17/1117975217.db2.gz DLUREMATUITDLM-MEBBXXQBSA-N 0 1 276.380 3.695 20 0 CHADMN Cc1ccc(-c2ccc(CN[C@H](C)c3cn[nH]c3)o2)cc1 ZINC000339792750 1117975427 /nfs/dbraw/zinc/97/54/27/1117975427.db2.gz SHOOBVOPRCAEEV-CYBMUJFWSA-N 0 1 281.359 3.829 20 0 CHADMN CCC[C@@H](CN[C@H](C)c1nc(C)sc1C)OCC ZINC000624049234 1117976633 /nfs/dbraw/zinc/97/66/33/1117976633.db2.gz BXRPYTOKEBUFPH-MFKMUULPSA-N 0 1 270.442 3.616 20 0 CHADMN C[C@@H](NCc1ccc(-c2ccccc2)o1)c1cn[nH]c1 ZINC000339796174 1117976943 /nfs/dbraw/zinc/97/69/43/1117976943.db2.gz XKEZZMHQNNOGTH-GFCCVEGCSA-N 0 1 267.332 3.521 20 0 CHADMN CC[C@@H](c1cccc(OC)c1)N(C)Cc1c(C)noc1C ZINC000274976179 1117978227 /nfs/dbraw/zinc/97/82/27/1117978227.db2.gz AVGASXUKALBCQT-KRWDZBQOSA-N 0 1 288.391 3.883 20 0 CHADMN CC(C)CC[C@@H](CO)N[C@H](C)c1csc(C(C)C)n1 ZINC000624110896 1117982971 /nfs/dbraw/zinc/98/29/71/1117982971.db2.gz IRRLHXVSFHFUFH-OLZOCXBDSA-N 0 1 284.469 3.714 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000232749771 1117988117 /nfs/dbraw/zinc/98/81/17/1117988117.db2.gz HSWMAQQBUZIXJX-INIZCTEOSA-N 0 1 297.345 3.557 20 0 CHADMN FC(F)C1(NCCc2ccccc2)CCCCC1 ZINC000510144976 1117988793 /nfs/dbraw/zinc/98/87/93/1117988793.db2.gz QXCJKSAPHTVRQD-UHFFFAOYSA-N 0 1 253.336 3.787 20 0 CHADMN Brc1cccc(CN2CCC3(CCC3)C2)c1 ZINC000353694972 1117996137 /nfs/dbraw/zinc/99/61/37/1117996137.db2.gz ZZKZCQVZNDPFJE-UHFFFAOYSA-N 0 1 280.209 3.825 20 0 CHADMN COCc1noc([C@@H](C)N[C@H](CCC(C)C)C(C)(C)C)n1 ZINC000181335305 1117998609 /nfs/dbraw/zinc/99/86/09/1117998609.db2.gz XBSCKKYDIOOCLZ-CHWSQXEVSA-N 0 1 297.443 3.718 20 0 CHADMN CCO[C@@H]1C[C@H](NCc2ccn(C(C)C)n2)C1(CC)CC ZINC000181781339 1118006998 /nfs/dbraw/zinc/00/69/98/1118006998.db2.gz BLBBTBSPDGQHEF-JKSUJKDBSA-N 0 1 293.455 3.537 20 0 CHADMN Cc1[nH]ncc1CNc1ccc(Oc2ccc(F)cc2)nc1 ZINC000181942785 1118010074 /nfs/dbraw/zinc/01/00/74/1118010074.db2.gz VNCCIFVLQDFZRE-UHFFFAOYSA-N 0 1 298.321 3.657 20 0 CHADMN CC(C)c1ccc([C@H](C)N(CCO)Cc2cccnc2)cc1 ZINC000182016756 1118011415 /nfs/dbraw/zinc/01/14/15/1118011415.db2.gz ANYUPQGBIBYRCS-INIZCTEOSA-N 0 1 298.430 3.761 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1ncc(Cl)cc1Cl ZINC000181985557 1118012176 /nfs/dbraw/zinc/01/21/76/1118012176.db2.gz SIIAIEYGCDLVFV-MRVPVSSYSA-N 0 1 259.180 3.619 20 0 CHADMN CCN(Cc1ncc(Cl)cc1Cl)CC1CC1 ZINC000182281788 1118018351 /nfs/dbraw/zinc/01/83/51/1118018351.db2.gz JLIWPIAEFULDPY-UHFFFAOYSA-N 0 1 259.180 3.620 20 0 CHADMN CC(C)c1cnc(CN2C[C@H](C)C[C@@H](C)C2)s1 ZINC000182938656 1118033396 /nfs/dbraw/zinc/03/33/96/1118033396.db2.gz ZDYWNZSRLQENAB-VXGBXAGGSA-N 0 1 252.427 3.744 20 0 CHADMN CC[C@@H](N[C@@H]1COc2ccc(C)cc21)c1ccncc1 ZINC000579557155 1128751443 /nfs/dbraw/zinc/75/14/43/1128751443.db2.gz ZLZJHOCINHGAIG-HZPDHXFCSA-N 0 1 268.360 3.564 20 0 CHADMN C[C@H](N[C@@H]1c2cccc(F)c2CC[C@H]1C)c1nccn1C ZINC000183084501 1118038724 /nfs/dbraw/zinc/03/87/24/1118038724.db2.gz YCOQRLWTLDWZRM-WQGACYEGSA-N 0 1 287.382 3.533 20 0 CHADMN Cc1cccc(CCCOc2ccccc2-c2nnc[nH]2)c1 ZINC000183191082 1118040071 /nfs/dbraw/zinc/04/00/71/1118040071.db2.gz DVUPBIOKJNBXAC-UHFFFAOYSA-N 0 1 293.370 3.792 20 0 CHADMN CC[C@](C)(NC[C@@H]1CCCCN1C(C)C)C(F)(F)F ZINC000579555092 1128751738 /nfs/dbraw/zinc/75/17/38/1128751738.db2.gz WESOZMYHBBZKKE-STQMWFEESA-N 0 1 280.378 3.570 20 0 CHADMN Cc1cccc(CNCc2ccc3ccccc3c2)n1 ZINC000048329685 1118041755 /nfs/dbraw/zinc/04/17/55/1118041755.db2.gz FPMCPYHGOKARJD-UHFFFAOYSA-N 0 1 262.356 3.833 20 0 CHADMN Clc1ccc(CN2CC[C@]3(C2)CCCCO3)s1 ZINC001204440320 1118042413 /nfs/dbraw/zinc/04/24/13/1118042413.db2.gz DFPFPLOJTXLNSM-ZDUSSCGKSA-N 0 1 271.813 3.547 20 0 CHADMN Oc1ccc(F)c(CN2CCC(Cc3ccccc3)CC2)c1 ZINC001140050437 1118054371 /nfs/dbraw/zinc/05/43/71/1118054371.db2.gz KWKJSRNSOHLEAQ-UHFFFAOYSA-N 0 1 299.389 3.986 20 0 CHADMN C[C@H](NC[C@@H]1CCCCO1)c1nc(C(C)(C)C)cs1 ZINC000184459400 1118055060 /nfs/dbraw/zinc/05/50/60/1118055060.db2.gz ZDJAFXQNRBBPOC-RYUDHWBXSA-N 0 1 282.453 3.660 20 0 CHADMN CCC(O)(CC)C(C)(C)CN[C@H](C)c1csc(C)n1 ZINC000579615223 1128752951 /nfs/dbraw/zinc/75/29/51/1128752951.db2.gz BFGWZJYIBRPOAP-LLVKDONJSA-N 0 1 284.469 3.679 20 0 CHADMN Fc1ccc(CNC/C=C/c2ccccc2)c(F)c1 ZINC000051790468 1118062678 /nfs/dbraw/zinc/06/26/78/1118062678.db2.gz XTWUFAOGDIMOSV-QPJJXVBHSA-N 0 1 259.299 3.768 20 0 CHADMN Cc1cnc(CN[C@@H](C)[C@H](C)C2CCCCC2)o1 ZINC000185527967 1118062960 /nfs/dbraw/zinc/06/29/60/1118062960.db2.gz FNWHMQUMDLFMIB-STQMWFEESA-N 0 1 250.386 3.678 20 0 CHADMN CCOc1ccc(C)c(CN2CCC[C@@](C)(F)C2)c1 ZINC001238704680 1118074445 /nfs/dbraw/zinc/07/44/45/1118074445.db2.gz KXZUXBLAPHSXHZ-MRXNPFEDSA-N 0 1 265.372 3.718 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@@]3(C2)CCCOC3)c1Cl ZINC001238782312 1118082155 /nfs/dbraw/zinc/08/21/55/1118082155.db2.gz VUWYGGBRSSRGPM-MRXNPFEDSA-N 0 1 297.801 3.790 20 0 CHADMN Cc1ccc(CNCc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000235975012 1118084535 /nfs/dbraw/zinc/08/45/35/1118084535.db2.gz DAKQQFRUIHFKOX-UHFFFAOYSA-N 0 1 289.762 3.667 20 0 CHADMN Cc1ccc(-c2ccc(CNC[C@@H](O)c3ccco3)o2)cc1 ZINC000237721330 1128754613 /nfs/dbraw/zinc/75/46/13/1128754613.db2.gz JOFWEDAXEYPZKA-MRXNPFEDSA-N 0 1 297.354 3.671 20 0 CHADMN C[N@H+](Cc1cccs1)Cc1cccc(C(=O)[O-])c1Cl ZINC000381723517 1118090164 /nfs/dbraw/zinc/09/01/64/1118090164.db2.gz RVLPFQLKONRMJS-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN C[N@@H+](Cc1cccs1)Cc1cccc(C(=O)[O-])c1Cl ZINC000381723517 1118090170 /nfs/dbraw/zinc/09/01/70/1118090170.db2.gz RVLPFQLKONRMJS-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN Fc1cc(C(F)(F)F)ccc1CN1CCC(F)CC1 ZINC001204463505 1118098101 /nfs/dbraw/zinc/09/81/01/1118098101.db2.gz OYLBZVZGRDOSPU-UHFFFAOYSA-N 0 1 279.252 3.778 20 0 CHADMN Cc1cccc(CC[C@H](C)N[C@@H](C)c2csnn2)c1 ZINC000398245273 1118105519 /nfs/dbraw/zinc/10/55/19/1118105519.db2.gz RSQYSHVZWADRAO-STQMWFEESA-N 0 1 275.421 3.518 20 0 CHADMN CCN(CCOC(C)C)Cc1ccccc1Cl ZINC000042157293 1118141137 /nfs/dbraw/zinc/14/11/37/1118141137.db2.gz GPVBULKBPCHLAV-UHFFFAOYSA-N 0 1 255.789 3.587 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H](C)c1ccco1 ZINC000764781788 1118111264 /nfs/dbraw/zinc/11/12/64/1118111264.db2.gz LQWAQIMLXQPMGO-GFCCVEGCSA-N 0 1 296.326 3.896 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1Cc1ccc(Br)o1 ZINC000306944087 1118113805 /nfs/dbraw/zinc/11/38/05/1118113805.db2.gz JIARLWFBUJFDPS-VHSXEESVSA-N 0 1 272.186 3.663 20 0 CHADMN CC[C@@H](C)N(CCc1ccccc1F)Cc1cnns1 ZINC001167244211 1118116532 /nfs/dbraw/zinc/11/65/32/1118116532.db2.gz JTSOQWNQTVGGIU-GFCCVEGCSA-N 0 1 293.411 3.520 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(C(F)(F)F)ccn2)C[C@@H]1C ZINC001140104087 1118119149 /nfs/dbraw/zinc/11/91/49/1118119149.db2.gz CAQJKMZCUWENDQ-NEPJUHHUSA-N 0 1 286.341 3.968 20 0 CHADMN Cc1cc(N)ncc1Nc1cc2ocnc2cc1Cl ZINC001209971231 1118124037 /nfs/dbraw/zinc/12/40/37/1118124037.db2.gz UUCRQWVXAFXWBS-UHFFFAOYSA-N 0 1 274.711 3.510 20 0 CHADMN CCC(CC)C[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000901801814 1118124663 /nfs/dbraw/zinc/12/46/63/1118124663.db2.gz FYIAMQFYSLLSMG-UHFFFAOYSA-N 0 1 277.408 3.790 20 0 CHADMN C[C@@H]1CCN(Cn2cccnc2=S)CC12CCCCC2 ZINC000764954392 1118127304 /nfs/dbraw/zinc/12/73/04/1118127304.db2.gz JZIYPYVOZCYNJJ-CQSZACIVSA-N 0 1 291.464 3.862 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(C(F)F)nc1 ZINC000639121116 1118128124 /nfs/dbraw/zinc/12/81/24/1118128124.db2.gz NAXGKOCRLOIBEF-WPRPVWTQSA-N 0 1 294.267 3.792 20 0 CHADMN Cc1ccc(F)c([C@H](C)[C@H](c2nc[nH]n2)c2cccnc2)c1 ZINC000340274412 1118129301 /nfs/dbraw/zinc/12/93/01/1118129301.db2.gz YIGAXFGUKDFSLB-LRDDRELGSA-N 0 1 296.349 3.583 20 0 CHADMN CCN(CC)[C@@H](C)c1ccccc1Br ZINC000257845326 1118131010 /nfs/dbraw/zinc/13/10/10/1118131010.db2.gz ACKYBRHRGZZZSU-JTQLQIEISA-N 0 1 256.187 3.852 20 0 CHADMN CCN(CC)[C@H](C)c1ccccc1Br ZINC000257845327 1118131550 /nfs/dbraw/zinc/13/15/50/1118131550.db2.gz ACKYBRHRGZZZSU-SNVBAGLBSA-N 0 1 256.187 3.852 20 0 CHADMN CC(C)Cc1cc(NC2=CCC(F)(F)CC2)on1 ZINC001210026419 1118135050 /nfs/dbraw/zinc/13/50/50/1118135050.db2.gz CBAJXDGJJIIVHL-UHFFFAOYSA-N 0 1 256.296 3.988 20 0 CHADMN CC(C)C[C@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC000074995352 1128758734 /nfs/dbraw/zinc/75/87/34/1128758734.db2.gz YGQUMJQERQHMTF-CYBMUJFWSA-N 0 1 250.386 3.666 20 0 CHADMN CC(C)C[C@H]1CCN(Cc2ncc(C(C)C)o2)C1 ZINC000074995352 1128758735 /nfs/dbraw/zinc/75/87/35/1128758735.db2.gz YGQUMJQERQHMTF-CYBMUJFWSA-N 0 1 250.386 3.666 20 0 CHADMN Cc1occc1CN[C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000765395339 1118148491 /nfs/dbraw/zinc/14/84/91/1118148491.db2.gz HDSYYYTWBMMGFW-ZDUSSCGKSA-N 0 1 295.386 3.933 20 0 CHADMN Cc1ccc(NC(=O)CN2CCC[C@H]2c2ccccc2)cc1 ZINC000010310975 1118158947 /nfs/dbraw/zinc/15/89/47/1118158947.db2.gz DIBKVPVUSDKMGN-SFHVURJKSA-N 0 1 294.398 3.771 20 0 CHADMN CCOc1ccccc1C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000010896069 1118160006 /nfs/dbraw/zinc/16/00/06/1118160006.db2.gz QJVCZDKVEMKSBP-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN CC[C@H](C)CN(C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000171949500 1118161035 /nfs/dbraw/zinc/16/10/35/1118161035.db2.gz BGTIENKKQXSOLR-NSHDSACASA-N 0 1 293.798 3.868 20 0 CHADMN Brc1ccc(CN2CCC[C@@H]2C2CCC2)nc1 ZINC000171973058 1118163203 /nfs/dbraw/zinc/16/32/03/1118163203.db2.gz BJBMTQYZFDUDCL-CQSZACIVSA-N 0 1 295.224 3.609 20 0 CHADMN Cc1ccc(CN[C@@H](CO)c2ccccc2C)cc1Cl ZINC000683470510 1118164713 /nfs/dbraw/zinc/16/47/13/1118164713.db2.gz QDFDPDSZSWWYPU-KRWDZBQOSA-N 0 1 289.806 3.780 20 0 CHADMN CC[C@@]1(NCc2nc(C3CCCCC3)cs2)CCOC1 ZINC000683524761 1118168849 /nfs/dbraw/zinc/16/88/49/1118168849.db2.gz UPKGGLRTHMVZQW-MRXNPFEDSA-N 0 1 294.464 3.850 20 0 CHADMN CCNC(=O)CN([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000170930934 1118177971 /nfs/dbraw/zinc/17/79/71/1118177971.db2.gz KCICVYSELSJNFH-CQSZACIVSA-N 0 1 296.414 3.501 20 0 CHADMN CCNC(=O)CN([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000170930932 1118178434 /nfs/dbraw/zinc/17/84/34/1118178434.db2.gz KCICVYSELSJNFH-AWEZNQCLSA-N 0 1 296.414 3.501 20 0 CHADMN Cc1ccc(-c2nnc(CN3C[C@H](C)C[C@H](C)C3)o2)cc1 ZINC000046502171 1118180649 /nfs/dbraw/zinc/18/06/49/1118180649.db2.gz FBMHXGKOCOMPKO-OKILXGFUSA-N 0 1 285.391 3.523 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2cc(-c3ccccc3)on2)CS1 ZINC000655704341 1118188544 /nfs/dbraw/zinc/18/85/44/1118188544.db2.gz BAQHDUNBMWRGCY-TZMCWYRMSA-N 0 1 288.416 3.715 20 0 CHADMN Fc1ccc([C@H](N[C@H]2CCCn3ccnc32)C2CCC2)cc1 ZINC000655708971 1118189791 /nfs/dbraw/zinc/18/97/91/1118189791.db2.gz QUDCQUOKRMRRLS-DLBZAZTESA-N 0 1 299.393 3.988 20 0 CHADMN COC(=O)c1sccc1CN(CCC(C)C)C1CC1 ZINC000336904320 1118190348 /nfs/dbraw/zinc/19/03/48/1118190348.db2.gz VWUTYPQLEGNFKC-UHFFFAOYSA-N 0 1 281.421 3.545 20 0 CHADMN CCO[C@H](CN[C@H](C)c1c(F)cccc1Cl)C1CC1 ZINC000625309356 1118190933 /nfs/dbraw/zinc/19/09/33/1118190933.db2.gz MCWMYQNVFGLULA-QMTHXVAHSA-N 0 1 285.790 3.945 20 0 CHADMN O=C(CCC1CCCCC1)NCc1ccc2nc[nH]c2c1 ZINC000615784293 1128762332 /nfs/dbraw/zinc/76/23/32/1128762332.db2.gz HPOYFQYDWGALEW-UHFFFAOYSA-N 0 1 285.391 3.540 20 0 CHADMN CC(C)(NCc1nccc2c1CCCC2)c1ccccc1 ZINC000921600599 1118202846 /nfs/dbraw/zinc/20/28/46/1118202846.db2.gz NUMPPJGKUOXIGO-UHFFFAOYSA-N 0 1 280.415 3.985 20 0 CHADMN CC(C)c1ccc(CNCc2cccc3[nH]c(=O)oc32)cc1 ZINC000921587317 1118203261 /nfs/dbraw/zinc/20/32/61/1118203261.db2.gz JLAIUOFLEVJQOM-UHFFFAOYSA-N 0 1 296.370 3.947 20 0 CHADMN Fc1ccc(CN2CC[C@@H](Nc3ccccc3)C2)cc1F ZINC000102845219 1118209718 /nfs/dbraw/zinc/20/97/18/1118209718.db2.gz SIPYWPHLYUYPTO-OAHLLOKOSA-N 0 1 288.341 3.651 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)[C@@H](C)c1cccs1 ZINC000051361599 1118221356 /nfs/dbraw/zinc/22/13/56/1118221356.db2.gz FCPXYJIZGURKHR-VIFPVBQESA-N 0 1 279.361 3.541 20 0 CHADMN COc1c(C)cccc1CN[C@H](C)c1ccc(C)nc1C ZINC000655810080 1118221383 /nfs/dbraw/zinc/22/13/83/1118221383.db2.gz BKJGXOOCCCJUAY-CQSZACIVSA-N 0 1 284.403 3.866 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1cccc2c1OCC2 ZINC000921620618 1118225441 /nfs/dbraw/zinc/22/54/41/1118225441.db2.gz JWHVENHIJPNIFR-CQSZACIVSA-N 0 1 297.398 3.871 20 0 CHADMN Cc1cc(Br)cc2c1CN(CC1CCC1)CC2 ZINC001168570559 1118227567 /nfs/dbraw/zinc/22/75/67/1118227567.db2.gz QFASLDNIPQXOFM-UHFFFAOYSA-N 0 1 294.236 3.916 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N1CCC[C@H]1c1ccccc1 ZINC000042025437 1118232799 /nfs/dbraw/zinc/23/27/99/1118232799.db2.gz BQAMLMYYOIQTFQ-KRWDZBQOSA-N 0 1 291.354 3.540 20 0 CHADMN C[C@H](Cc1ccccn1)NCc1ncc(C(C)(C)C)s1 ZINC000655842763 1118235212 /nfs/dbraw/zinc/23/52/12/1118235212.db2.gz MHNBYNBLLNPHHE-GFCCVEGCSA-N 0 1 289.448 3.556 20 0 CHADMN C[C@@H]1CCN(C(=O)c2cccc3n[nH]cc32)[C@@H]2CCCC[C@@H]12 ZINC000615802356 1118239720 /nfs/dbraw/zinc/23/97/20/1118239720.db2.gz AEOBCXWJAGTBMU-IIYDPXPESA-N 0 1 297.402 3.604 20 0 CHADMN CC[C@H](CC1CCCC1)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615790331 1128764649 /nfs/dbraw/zinc/76/46/49/1128764649.db2.gz URQQYGPFFKDFEH-OAHLLOKOSA-N 0 1 299.418 3.786 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H]2CCC3(CCCC3)O2)c(C)s1 ZINC000655851806 1118240928 /nfs/dbraw/zinc/24/09/28/1118240928.db2.gz HJUJFTVQHFGUIW-FZMZJTMJSA-N 0 1 294.464 3.902 20 0 CHADMN CCc1noc(C)c1CN[C@@H](CC)c1cccs1 ZINC000340438581 1118246423 /nfs/dbraw/zinc/24/64/23/1118246423.db2.gz BTHOKUVGDIYMKL-ZDUSSCGKSA-N 0 1 264.394 3.848 20 0 CHADMN Cc1ncc(C(=O)N2CCC[C@@H]2c2ccc(C(C)C)cc2)[nH]1 ZINC000340438172 1118246537 /nfs/dbraw/zinc/24/65/37/1118246537.db2.gz AEEIDVKJPNGEHY-QGZVFWFLSA-N 0 1 297.402 3.819 20 0 CHADMN CCc1nnc(SCC2CCC(C(F)(F)F)CC2)[nH]1 ZINC000471447638 1118254883 /nfs/dbraw/zinc/25/48/83/1118254883.db2.gz VJSLHCANQBTHRI-UHFFFAOYSA-N 0 1 293.358 3.828 20 0 CHADMN CCc1n[nH]c(SCC2CCC(C(F)(F)F)CC2)n1 ZINC000471447638 1118254885 /nfs/dbraw/zinc/25/48/85/1118254885.db2.gz VJSLHCANQBTHRI-UHFFFAOYSA-N 0 1 293.358 3.828 20 0 CHADMN CCc1noc(C)c1CN[C@H]1CCCc2ccc(F)cc21 ZINC000340444533 1118255014 /nfs/dbraw/zinc/25/50/14/1118255014.db2.gz QMBAMIKXJGETSK-KRWDZBQOSA-N 0 1 288.366 3.852 20 0 CHADMN Cc1noc(C)c1CN(C)Cc1cc(C)cc(C)c1 ZINC000046060760 1118259774 /nfs/dbraw/zinc/25/97/74/1118259774.db2.gz AMJDYKDHPDYBFV-UHFFFAOYSA-N 0 1 258.365 3.540 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc3c(c2)CCC3)o1 ZINC000070498567 1118268731 /nfs/dbraw/zinc/26/87/31/1118268731.db2.gz CUHCBMFUMOVDCY-CYBMUJFWSA-N 0 1 255.361 3.928 20 0 CHADMN COC[C@@H]1CCCN1CCc1cc(Cl)cc(Cl)c1 ZINC000683667171 1118269955 /nfs/dbraw/zinc/26/99/55/1118269955.db2.gz QVLKEUHSZCWEFM-AWEZNQCLSA-N 0 1 288.218 3.647 20 0 CHADMN C[C@@H](NC1(c2ccccc2)CC1)c1cccc(O)c1 ZINC000282167576 1118272684 /nfs/dbraw/zinc/27/26/84/1118272684.db2.gz DUMHGEYYPCHUQY-CYBMUJFWSA-N 0 1 253.345 3.732 20 0 CHADMN C[C@@H]1CN(Cc2cncc(Cl)c2Cl)[C@@H](C)[C@H]1C ZINC001652692189 1118273686 /nfs/dbraw/zinc/27/36/86/1118273686.db2.gz GDRUGCCKXWWBSX-UTLUCORTSA-N 0 1 273.207 3.865 20 0 CHADMN COc1cc([C@H](C)N[C@@H](C)c2sc(C)nc2C)ccn1 ZINC000348638089 1118274042 /nfs/dbraw/zinc/27/40/42/1118274042.db2.gz DGCYEIAXIKRUIL-UWVGGRQHSA-N 0 1 291.420 3.575 20 0 CHADMN CCC[C@H](CC)SCc1n[nH]c(C)c1C(=O)OCC ZINC001652820362 1118274993 /nfs/dbraw/zinc/27/49/93/1118274993.db2.gz WYJLTPTWZRKLRD-NSHDSACASA-N 0 1 284.425 3.707 20 0 CHADMN COc1cc([C@@H](C)NCc2ccccc2Cl)ccn1 ZINC000340470543 1118276276 /nfs/dbraw/zinc/27/62/76/1118276276.db2.gz PBFNCYNKDPLKRO-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN CC[C@@H](C)c1cccc(NC(=O)CN(C)C2CCC2)c1 ZINC001167322106 1118284400 /nfs/dbraw/zinc/28/44/00/1118284400.db2.gz WCYFXRRNUGAWGC-CYBMUJFWSA-N 0 1 274.408 3.623 20 0 CHADMN C[C@@H](NCc1ccc2c[nH]nc2c1)c1cccc(F)c1F ZINC000121933435 1118285324 /nfs/dbraw/zinc/28/53/24/1118285324.db2.gz FWDLZOWSPBDOBX-SNVBAGLBSA-N 0 1 287.313 3.692 20 0 CHADMN C[C@H](NCc1c(F)cccc1Cl)[C@]1(C)CCCO1 ZINC000340475737 1118286365 /nfs/dbraw/zinc/28/63/65/1118286365.db2.gz XZIYARXQCNHLDO-HZMBPMFUSA-N 0 1 271.763 3.526 20 0 CHADMN C[C@@H](NC1CCC(C2CCCCC2)CC1)c1ncn(C)n1 ZINC000683691692 1118287650 /nfs/dbraw/zinc/28/76/50/1118287650.db2.gz HRQNQVRFTNNFCF-IUDNXUCKSA-N 0 1 290.455 3.605 20 0 CHADMN C[N@@H+](Cc1cccc(Cl)c1[O-])C(C1CC1)C1CC1 ZINC000179923230 1128767618 /nfs/dbraw/zinc/76/76/18/1128767618.db2.gz IGZRNOZWZYMLCB-UHFFFAOYSA-N 0 1 265.784 3.666 20 0 CHADMN Cc1nccc(NCc2ccccc2)c1Br ZINC000306479082 1118288271 /nfs/dbraw/zinc/28/82/71/1118288271.db2.gz AYOXTMXWFLIZPV-UHFFFAOYSA-N 0 1 277.165 3.765 20 0 CHADMN COCOc1ccc(Nc2cc(C)cc(C)n2)c(C)c1 ZINC001210490281 1118297445 /nfs/dbraw/zinc/29/74/45/1118297445.db2.gz LLPXTTMJMMTROM-UHFFFAOYSA-N 0 1 272.348 3.733 20 0 CHADMN CCc1ccc(C(=O)Nc2cccc(Cl)c2O)s1 ZINC000077010661 1118300684 /nfs/dbraw/zinc/30/06/84/1118300684.db2.gz UOYCBWPKUPUWAO-UHFFFAOYSA-N 0 1 281.764 3.922 20 0 CHADMN CCc1ccc(N2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000076059952 1128768576 /nfs/dbraw/zinc/76/85/76/1128768576.db2.gz PBLCEYVKOWWUPW-MRXNPFEDSA-N 0 1 295.430 3.527 20 0 CHADMN CC[C@@H](C)CCC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000671719787 1118303388 /nfs/dbraw/zinc/30/33/88/1118303388.db2.gz DDXPBCSTIXOWMV-SNVBAGLBSA-N 0 1 293.798 3.659 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C(=O)CC(C)(C)C)[nH]c2c1 ZINC000061234565 1118305806 /nfs/dbraw/zinc/30/58/06/1118305806.db2.gz LJBZDQZUZLDZGU-OAHLLOKOSA-N 0 1 299.418 3.971 20 0 CHADMN Cc1cc(C)cc(C[N@H+](C)Cc2n[nH]c3ccccc32)c1 ZINC000683718248 1118306432 /nfs/dbraw/zinc/30/64/32/1118306432.db2.gz FCIHXNSKBDLONP-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3c(F)cc(F)cc32)sn1 ZINC000639215830 1118308970 /nfs/dbraw/zinc/30/89/70/1118308970.db2.gz IPWQKUXGPVIULR-OAHLLOKOSA-N 0 1 294.370 3.897 20 0 CHADMN CCCNc1ccc(CN[C@@H](C)c2ccncc2F)cc1 ZINC000340506891 1118310470 /nfs/dbraw/zinc/31/04/70/1118310470.db2.gz MBKDEZYRAZPFCS-ZDUSSCGKSA-N 0 1 287.382 3.893 20 0 CHADMN F[C@@H]1CCC[C@H]1N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000340525471 1118317206 /nfs/dbraw/zinc/31/72/06/1118317206.db2.gz LGDFJEJQETWCPZ-KFWWJZLASA-N 0 1 275.367 3.913 20 0 CHADMN CCN(Cc1ccccn1)Cc1cccc(F)c1C ZINC001204510780 1118318318 /nfs/dbraw/zinc/31/83/18/1118318318.db2.gz OCHHCXSYMGSQML-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN CCc1ccc([C@@H](CO)N[C@H](C)c2ccccc2F)cc1 ZINC000090844384 1118326783 /nfs/dbraw/zinc/32/67/83/1118326783.db2.gz BNXJPXIVMCYFTD-FZKQIMNGSA-N 0 1 287.378 3.772 20 0 CHADMN Cc1c(F)cccc1CN1CC[C@H]1COCc1ccccc1 ZINC001204512407 1118326802 /nfs/dbraw/zinc/32/68/02/1118326802.db2.gz HORPINMDERWKCQ-SFHVURJKSA-N 0 1 299.389 3.925 20 0 CHADMN Cc1scc(CN[C@@H]2COCc3ccccc32)c1C ZINC000399835626 1118327814 /nfs/dbraw/zinc/32/78/14/1118327814.db2.gz COVWMOSTOPNUKM-MRXNPFEDSA-N 0 1 273.401 3.726 20 0 CHADMN CC(C)=CCN(C)Cc1csc(Br)c1 ZINC000064994126 1118330596 /nfs/dbraw/zinc/33/05/96/1118330596.db2.gz JFAVPCNICJXMSL-UHFFFAOYSA-N 0 1 274.227 3.909 20 0 CHADMN CCc1nc(SCc2csc(CCC(C)C)n2)n[nH]1 ZINC000064927544 1118330497 /nfs/dbraw/zinc/33/04/97/1118330497.db2.gz GQVGKXKGJVVVAJ-UHFFFAOYSA-N 0 1 296.465 3.705 20 0 CHADMN CCc1n[nH]c(SCc2csc(CCC(C)C)n2)n1 ZINC000064927544 1118330505 /nfs/dbraw/zinc/33/05/05/1118330505.db2.gz GQVGKXKGJVVVAJ-UHFFFAOYSA-N 0 1 296.465 3.705 20 0 CHADMN CC(C)=CC[N@H+](C)Cc1csc(Br)c1 ZINC000064994126 1118330591 /nfs/dbraw/zinc/33/05/91/1118330591.db2.gz JFAVPCNICJXMSL-UHFFFAOYSA-N 0 1 274.227 3.909 20 0 CHADMN CSc1ccc(CN[C@H](C)c2cc(C)ccn2)cc1 ZINC000671742944 1118330954 /nfs/dbraw/zinc/33/09/54/1118330954.db2.gz RYVLLHYULGZUKO-CYBMUJFWSA-N 0 1 272.417 3.963 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)CO2 ZINC000090452549 1118333486 /nfs/dbraw/zinc/33/34/86/1118333486.db2.gz JVYZQGUTDBAUGB-KBXCAEBGSA-N 0 1 296.414 3.845 20 0 CHADMN Cc1occc1CN(C)CCOc1cccc(Cl)c1 ZINC000065607546 1118336066 /nfs/dbraw/zinc/33/60/66/1118336066.db2.gz VAXARLZOYRALQX-UHFFFAOYSA-N 0 1 279.767 3.752 20 0 CHADMN CC(C)CN(C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000065961530 1118340506 /nfs/dbraw/zinc/34/05/06/1118340506.db2.gz FORQGEUBBCEJSQ-UHFFFAOYSA-N 0 1 262.328 3.569 20 0 CHADMN CC(C)(C)c1cc(=O)n(Cc2ccc(Cl)cc2)[nH]1 ZINC000116605435 1118361718 /nfs/dbraw/zinc/36/17/18/1118361718.db2.gz OMBXDILQKXPWQW-UHFFFAOYSA-N 0 1 264.756 3.588 20 0 CHADMN COc1cc(CN(C)Cc2ccc(C)o2)ccc1SC ZINC000068784036 1118365301 /nfs/dbraw/zinc/36/53/01/1118365301.db2.gz JFFMISNKTLEUTL-UHFFFAOYSA-N 0 1 291.416 3.951 20 0 CHADMN CCCCCC(=O)Nc1[nH]nc(-c2ccncc2)c1CC ZINC000068965206 1118366626 /nfs/dbraw/zinc/36/66/26/1118366626.db2.gz JXGMMWHXIZAUND-UHFFFAOYSA-N 0 1 286.379 3.553 20 0 CHADMN Cc1ccc(SCCN2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000616007709 1128772893 /nfs/dbraw/zinc/77/28/93/1128772893.db2.gz CXYNPWHJWMUDDC-HUUCEWRRSA-N 0 1 279.449 3.505 20 0 CHADMN CC[N@@H+](CCC(C)(C)C(=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000902532130 1118377069 /nfs/dbraw/zinc/37/70/69/1118377069.db2.gz WYDNGUHUKVNWQH-LBPRGKRZSA-N 0 1 283.437 3.502 20 0 CHADMN CO[C@H](CNCc1nc(-c2ccccc2)cs1)C(C)C ZINC000072924685 1118377334 /nfs/dbraw/zinc/37/73/34/1118377334.db2.gz CHPKFNOWTXRJOT-OAHLLOKOSA-N 0 1 290.432 3.571 20 0 CHADMN CCc1ccc(-c2noc(CN(C)[C@H](C)C3CC3)n2)cc1 ZINC000073779678 1118384680 /nfs/dbraw/zinc/38/46/80/1118384680.db2.gz SSCADCRZIUWZRL-GFCCVEGCSA-N 0 1 285.391 3.529 20 0 CHADMN CC[C@@H](CSC)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000186229040 1118394357 /nfs/dbraw/zinc/39/43/57/1118394357.db2.gz SCEGFJJOGQABLV-KOLCDFICSA-N 0 1 273.829 3.838 20 0 CHADMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1C(=O)[O-] ZINC000565545409 1118397456 /nfs/dbraw/zinc/39/74/56/1118397456.db2.gz SVJIVLJIULPYFZ-CYBMUJFWSA-N 0 1 281.355 3.504 20 0 CHADMN c1c2ccccc2sc1C[N@H+]1CCc2ccncc2C1 ZINC001137685654 1118408416 /nfs/dbraw/zinc/40/84/16/1118408416.db2.gz TVSNLKWRTYWBAH-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN c1c2ccccc2sc1CN1CCc2ccncc2C1 ZINC001137685654 1118408419 /nfs/dbraw/zinc/40/84/19/1118408419.db2.gz TVSNLKWRTYWBAH-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN COc1ccsc1[C@H](C)NCc1ccnc(SC)c1 ZINC000349312758 1118418626 /nfs/dbraw/zinc/41/86/26/1118418626.db2.gz NAJQGVFPJIINDP-JTQLQIEISA-N 0 1 294.445 3.724 20 0 CHADMN C[C@H]1CC[N@@H+](CCC2CCCCCC2)[C@H](C(=O)[O-])C1 ZINC000656190908 1118435123 /nfs/dbraw/zinc/43/51/23/1118435123.db2.gz IMIIMXHGGAJRQK-ZFWWWQNUSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])o1 ZINC000086755041 1118443872 /nfs/dbraw/zinc/44/38/72/1118443872.db2.gz GLUCCLKXIFILNP-NFAWXSAZSA-N 0 1 291.391 3.622 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000086784574 1118445003 /nfs/dbraw/zinc/44/50/03/1118445003.db2.gz RWBFPIWQDHLOSP-QAPCUYQASA-N 0 1 289.419 3.757 20 0 CHADMN COCC[C@H](NCc1cc2ccccc2[nH]1)c1ccco1 ZINC000683930771 1118449021 /nfs/dbraw/zinc/44/90/21/1118449021.db2.gz YVJTYEWRQFAWIF-INIZCTEOSA-N 0 1 284.359 3.628 20 0 CHADMN CCOc1ncccc1CNCc1cc(C)c(C)cc1C ZINC000128892087 1118450926 /nfs/dbraw/zinc/45/09/26/1118450926.db2.gz AVVVBTRSQNSTBQ-UHFFFAOYSA-N 0 1 284.403 3.695 20 0 CHADMN CCOc1ncccc1CNCc1ccc2ccccc2c1 ZINC000128889060 1118451177 /nfs/dbraw/zinc/45/11/77/1118451177.db2.gz IGVSAWUNNQEAOZ-UHFFFAOYSA-N 0 1 292.382 3.923 20 0 CHADMN CO[C@@H](CNCc1c(F)cccc1F)c1ccc(F)cc1 ZINC000072923767 1118452782 /nfs/dbraw/zinc/45/27/82/1118452782.db2.gz JNAOWRDZBWJSPB-INIZCTEOSA-N 0 1 295.304 3.581 20 0 CHADMN Cc1ccc([C@@H]2COCCN2C[C@@H]2CCC[C@H](C)C2)o1 ZINC001167412631 1118467918 /nfs/dbraw/zinc/46/79/18/1118467918.db2.gz OXCRDXSSXYXYBH-IMJJTQAJSA-N 0 1 277.408 3.788 20 0 CHADMN CC(C)Cc1ccc([C@H]([NH2+]Cc2c[nH]cn2)C2CC2)cc1 ZINC000580509348 1118471180 /nfs/dbraw/zinc/47/11/80/1118471180.db2.gz HXEPXFZCPMVSKS-SFHVURJKSA-N 0 1 283.419 3.849 20 0 CHADMN CC[C@H]1c2ccccc2CCN1CCn1cc(Cl)cn1 ZINC001167417175 1118475240 /nfs/dbraw/zinc/47/52/40/1118475240.db2.gz QHQUCIRUGPBDHV-INIZCTEOSA-N 0 1 289.810 3.546 20 0 CHADMN Cc1nc(C)c(CNCc2cc(Cl)cs2)s1 ZINC000278348101 1118475284 /nfs/dbraw/zinc/47/52/84/1118475284.db2.gz HNXCNLIWFHAXLJ-UHFFFAOYSA-N 0 1 272.826 3.765 20 0 CHADMN CC[C@H](NCc1cccnc1C)c1cc(F)ccc1F ZINC000123921403 1118480875 /nfs/dbraw/zinc/48/08/75/1118480875.db2.gz ASNPMVUZIXQKHU-INIZCTEOSA-N 0 1 276.330 3.909 20 0 CHADMN Cn1cncc1Nc1cc(-c2ccccc2)cc(Cl)n1 ZINC001211248038 1118487372 /nfs/dbraw/zinc/48/73/72/1118487372.db2.gz GZEBYZBNIDQYPP-UHFFFAOYSA-N 0 1 284.750 3.879 20 0 CHADMN CC(C)(C)c1ccc(CN2CC3(CC3(F)F)C2)cc1 ZINC000656266091 1118487457 /nfs/dbraw/zinc/48/74/57/1118487457.db2.gz CEOIAPMDJYDMIG-UHFFFAOYSA-N 0 1 265.347 3.825 20 0 CHADMN COc1ccc2cc(CN3CC4(CC4(F)F)C3)ccc2c1 ZINC000656266571 1118487762 /nfs/dbraw/zinc/48/77/62/1118487762.db2.gz HVTGRZOCRZOORA-UHFFFAOYSA-N 0 1 289.325 3.689 20 0 CHADMN Cn1cncc1Nc1ccccc1Oc1ccccc1N ZINC001211251721 1118488319 /nfs/dbraw/zinc/48/83/19/1118488319.db2.gz MZIGZJSQXZPLPB-UHFFFAOYSA-N 0 1 280.331 3.538 20 0 CHADMN CN(Cc1cc2ccccc2[nH]1)Cc1ccc2c(c1)OCO2 ZINC000684019552 1118489206 /nfs/dbraw/zinc/48/92/06/1118489206.db2.gz JQHHNBJWSGBWRG-UHFFFAOYSA-N 0 1 294.354 3.529 20 0 CHADMN C[C@@H](N[C@@H]1CSC1(C)C)c1cc(F)ccc1F ZINC000338792219 1118494515 /nfs/dbraw/zinc/49/45/15/1118494515.db2.gz MJKBZVWJLZNIDM-PRHODGIISA-N 0 1 257.349 3.509 20 0 CHADMN COCCOCc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1 ZINC000580798719 1118505074 /nfs/dbraw/zinc/50/50/74/1118505074.db2.gz JYBUEIOXKLVRQH-UHFFFAOYSA-N 0 1 296.370 3.701 20 0 CHADMN COc1ccc(-c2cc(F)c(O)cc2F)c(F)c1F ZINC001211339339 1118505594 /nfs/dbraw/zinc/50/55/94/1118505594.db2.gz MVMJFTRJTLTQKM-UHFFFAOYSA-N 0 1 272.197 3.624 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cc3occc3s2)n1 ZINC000647132577 1118505635 /nfs/dbraw/zinc/50/56/35/1118505635.db2.gz DGBCNMAJFPDYNH-MRVPVSSYSA-N 0 1 277.349 3.590 20 0 CHADMN Cc1cccc(-c2noc(CN3C[C@@H](C)C[C@H](C)C3)n2)c1 ZINC000048060651 1118507459 /nfs/dbraw/zinc/50/74/59/1118507459.db2.gz SNJZDFKWTQYDBP-KBPBESRZSA-N 0 1 285.391 3.523 20 0 CHADMN Cc1cc(C(=O)CN2CCC3(CCCCC3)CC2)c(C)[nH]1 ZINC000061559697 1118508893 /nfs/dbraw/zinc/50/88/93/1118508893.db2.gz SCIQUTMTEGBQBX-UHFFFAOYSA-N 0 1 288.435 3.861 20 0 CHADMN CC[C@@H](C)CCCCc1nc(C2(N)CCCC2)no1 ZINC000647137970 1118520536 /nfs/dbraw/zinc/52/05/36/1118520536.db2.gz VONQCNPILBWLJW-GFCCVEGCSA-N 0 1 265.401 3.557 20 0 CHADMN Clc1ccccc1C1CC(NCc2cscn2)C1 ZINC000111625071 1118522622 /nfs/dbraw/zinc/52/26/22/1118522622.db2.gz QOUQLXQXMUAVAG-UHFFFAOYSA-N 0 1 278.808 3.832 20 0 CHADMN O=C(Nc1ccsc1)c1ccc(CN2CCCCC2)o1 ZINC000933044947 1118530133 /nfs/dbraw/zinc/53/01/33/1118530133.db2.gz IQRYOPSQLAXRDM-UHFFFAOYSA-N 0 1 290.388 3.579 20 0 CHADMN COc1cc(F)c(F)cc1CN1[C@H](C)CCC[C@@H]1C ZINC001143387384 1118534651 /nfs/dbraw/zinc/53/46/51/1118534651.db2.gz GQVFPIPZIDFXRM-PHIMTYICSA-N 0 1 269.335 3.736 20 0 CHADMN Cc1cc(C)c(NC(=O)COc2cc(C)nc(C)c2)c(C)c1 ZINC000128217585 1118539017 /nfs/dbraw/zinc/53/90/17/1118539017.db2.gz YUCVPSMMOWMGKM-UHFFFAOYSA-N 0 1 298.386 3.641 20 0 CHADMN CC(=O)CN[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000639579082 1118539147 /nfs/dbraw/zinc/53/91/47/1118539147.db2.gz AVYOTQFNKPDPLB-LBPRGKRZSA-N 0 1 288.416 3.667 20 0 CHADMN c1ccc(CN(Cc2ccc3c(n2)CCC3)C2CC2)cc1 ZINC000656408872 1118542022 /nfs/dbraw/zinc/54/20/22/1118542022.db2.gz ZUYBEYOZGGIJHY-UHFFFAOYSA-N 0 1 278.399 3.735 20 0 CHADMN CC(C)c1cc(C(=O)N(C)[C@@H]2CCCc3ccccc32)n[nH]1 ZINC000056453431 1118550373 /nfs/dbraw/zinc/55/03/73/1118550373.db2.gz RNWGZBNMAPAKOL-QGZVFWFLSA-N 0 1 297.402 3.683 20 0 CHADMN CC(C)Cc1ccc(/C=C\c2nc([C@@H]3CCCN3)no2)cc1 ZINC000647147228 1118550412 /nfs/dbraw/zinc/55/04/12/1118550412.db2.gz NOZCOEYZAQJMNU-YDZSZYSISA-N 0 1 297.402 3.863 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccsc1)c1cccc(OC)c1 ZINC000349378636 1118555541 /nfs/dbraw/zinc/55/55/41/1118555541.db2.gz LPNJHJCHBYVUMF-HZPDHXFCSA-N 0 1 291.416 3.531 20 0 CHADMN CC[C@H](N[C@H](CO)c1ccsc1)c1cccc(OC)c1 ZINC000349378637 1118555569 /nfs/dbraw/zinc/55/55/69/1118555569.db2.gz LPNJHJCHBYVUMF-JKSUJKDBSA-N 0 1 291.416 3.531 20 0 CHADMN Cc1c2cccc(C)c2oc1-c1nc([C@H]2CCCN2)no1 ZINC000647151484 1118557991 /nfs/dbraw/zinc/55/79/91/1118557991.db2.gz HLASXEKMQBKQIB-GFCCVEGCSA-N 0 1 283.331 3.524 20 0 CHADMN COc1cc(C)cc(F)c1Nc1noc(C(C)(C)C)n1 ZINC001215705556 1118563747 /nfs/dbraw/zinc/56/37/47/1118563747.db2.gz DXDZIOAQHYGNEN-UHFFFAOYSA-N 0 1 279.315 3.567 20 0 CHADMN CCn1nncc1CN[C@H](c1cc2ccccc2o1)C(C)C ZINC000656492958 1118565568 /nfs/dbraw/zinc/56/55/68/1118565568.db2.gz UDKCGOLKUHZHPA-KRWDZBQOSA-N 0 1 298.390 3.531 20 0 CHADMN FCC[C@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000625538513 1118567951 /nfs/dbraw/zinc/56/79/51/1118567951.db2.gz KKMKNISWDCDFKV-LLVKDONJSA-N 0 1 290.304 3.672 20 0 CHADMN FCC[C@H]1CCCN(Cc2cccnc2C(F)(F)F)C1 ZINC000625538513 1118567954 /nfs/dbraw/zinc/56/79/54/1118567954.db2.gz KKMKNISWDCDFKV-LLVKDONJSA-N 0 1 290.304 3.672 20 0 CHADMN c1cc(-c2ccccc2)c(-c2nc([C@H]3CCCN3)no2)s1 ZINC000647156026 1118570760 /nfs/dbraw/zinc/57/07/60/1118570760.db2.gz OGFNWIYKFRWOHA-CYBMUJFWSA-N 0 1 297.383 3.890 20 0 CHADMN C[C@@H](NCc1cnc[nH]1)c1cc(Cl)cc(Cl)c1F ZINC000692315058 1118596331 /nfs/dbraw/zinc/59/63/31/1118596331.db2.gz QPELTRROAUPHLU-SSDOTTSWSA-N 0 1 288.153 3.706 20 0 CHADMN CC[C@@H]1C[C@H](CN2CCc3sc(Cl)cc3C2)CCO1 ZINC000581430123 1118595544 /nfs/dbraw/zinc/59/55/44/1118595544.db2.gz LBRIHSWQABMHTD-DGCLKSJQSA-N 0 1 299.867 3.965 20 0 CHADMN COc1cc(F)c(F)cc1CN1CCC(C)(C)CC1 ZINC001143393582 1118596774 /nfs/dbraw/zinc/59/67/74/1118596774.db2.gz MBQGSSQIJQKWKQ-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCc2ccc(C)cc2C1 ZINC000668478660 1118597224 /nfs/dbraw/zinc/59/72/24/1118597224.db2.gz IEEYAEIYTBNFEX-UHFFFAOYSA-N 0 1 283.419 3.639 20 0 CHADMN C[N@@H+](CC(F)F)Cn1ccc(=S)c2ccccc21 ZINC000068618971 1128788090 /nfs/dbraw/zinc/78/80/90/1128788090.db2.gz KJBKWZZLPRMZNA-UHFFFAOYSA-N 0 1 268.332 3.525 20 0 CHADMN CN(CC(F)F)Cn1ccc(=S)c2ccccc21 ZINC000068618971 1128788094 /nfs/dbraw/zinc/78/80/94/1128788094.db2.gz KJBKWZZLPRMZNA-UHFFFAOYSA-N 0 1 268.332 3.525 20 0 CHADMN CSc1ncc(Nc2ccc3nccn3c2)cc1C ZINC001215827025 1118604323 /nfs/dbraw/zinc/60/43/23/1118604323.db2.gz ABXZVUVNDQXJBU-UHFFFAOYSA-N 0 1 270.361 3.503 20 0 CHADMN C[N@H+](Cc1ccon1)C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001207189800 1118612315 /nfs/dbraw/zinc/61/23/15/1118612315.db2.gz FJMAUNGRQFEPOH-WFASDCNBSA-N 0 1 276.767 3.564 20 0 CHADMN CN(Cc1ccon1)C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001207189800 1118612317 /nfs/dbraw/zinc/61/23/17/1118612317.db2.gz FJMAUNGRQFEPOH-WFASDCNBSA-N 0 1 276.767 3.564 20 0 CHADMN C[N@H+](Cc1ccon1)C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001207189799 1118612455 /nfs/dbraw/zinc/61/24/55/1118612455.db2.gz FJMAUNGRQFEPOH-SWLSCSKDSA-N 0 1 276.767 3.564 20 0 CHADMN CN(Cc1ccon1)C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001207189799 1118612457 /nfs/dbraw/zinc/61/24/57/1118612457.db2.gz FJMAUNGRQFEPOH-SWLSCSKDSA-N 0 1 276.767 3.564 20 0 CHADMN CC1(C)CCN(Cc2ccn(C3CCCC3)n2)CC1 ZINC000341186256 1118613155 /nfs/dbraw/zinc/61/31/55/1118613155.db2.gz MRTGKKKKFCVIRV-UHFFFAOYSA-N 0 1 261.413 3.620 20 0 CHADMN Cc1cccc(CC2CN(Cc3n[nH]c4ccccc43)C2)c1 ZINC000656648300 1118618738 /nfs/dbraw/zinc/61/87/38/1118618738.db2.gz ZCCWVCIHZNEFME-UHFFFAOYSA-N 0 1 291.398 3.546 20 0 CHADMN Cc1cc(C)cc(CNCc2cn3cc(Cl)ccc3n2)c1 ZINC000126603407 1118622848 /nfs/dbraw/zinc/62/28/48/1118622848.db2.gz UYIABRINNWLAPQ-UHFFFAOYSA-N 0 1 299.805 3.894 20 0 CHADMN OCC[C@H](NCc1ccccc1Cl)c1ccccc1 ZINC000341217874 1118626051 /nfs/dbraw/zinc/62/60/51/1118626051.db2.gz ZSBJDNYRWZSMOK-INIZCTEOSA-N 0 1 275.779 3.553 20 0 CHADMN Brc1sccc1CN1CCC2(CC2)CC1 ZINC000707099450 1118626320 /nfs/dbraw/zinc/62/63/20/1118626320.db2.gz FCAFXFYIQNEIAP-UHFFFAOYSA-N 0 1 286.238 3.887 20 0 CHADMN FCCN1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000749515503 1118632422 /nfs/dbraw/zinc/63/24/22/1118632422.db2.gz LNVLTUXHPJXQFX-UHFFFAOYSA-N 0 1 273.804 3.866 20 0 CHADMN CCc1ccc(CN2CC(CC(F)(F)F)C2)s1 ZINC000656686823 1118636141 /nfs/dbraw/zinc/63/61/41/1118636141.db2.gz YXUVVQMRZNSJMF-UHFFFAOYSA-N 0 1 263.328 3.695 20 0 CHADMN C[C@H](Cc1ccsc1)N1CC(CC(F)(F)F)C1 ZINC000656688403 1118636879 /nfs/dbraw/zinc/63/68/79/1118636879.db2.gz NRDHZMCGQPAXMZ-SECBINFHSA-N 0 1 263.328 3.563 20 0 CHADMN Cc1nc2ccc(CN3CC4(CC(F)C4)C3)cc2s1 ZINC000656695603 1118638079 /nfs/dbraw/zinc/63/80/79/1118638079.db2.gz PEGIORVIJFYUPY-UHFFFAOYSA-N 0 1 276.380 3.539 20 0 CHADMN Fc1ccc2oc(CN3CC4(CC(F)C4)C3)cc2c1 ZINC000656693814 1118638126 /nfs/dbraw/zinc/63/81/26/1118638126.db2.gz DATATPFIWVNLKN-UHFFFAOYSA-N 0 1 263.287 3.506 20 0 CHADMN FC(F)C1CN(Cc2cc3ccccc3s2)C1 ZINC000656690764 1118639096 /nfs/dbraw/zinc/63/90/96/1118639096.db2.gz QEFKZCARYXEBIL-UHFFFAOYSA-N 0 1 253.317 3.598 20 0 CHADMN COc1ccc2ccccc2c1CN1CC(C(F)F)C1 ZINC000656690140 1118639267 /nfs/dbraw/zinc/63/92/67/1118639267.db2.gz COJPWJHGJLFCCC-UHFFFAOYSA-N 0 1 277.314 3.545 20 0 CHADMN CC(C)C1CCN(Cc2ccnc(Cl)c2)CC1 ZINC000075833645 1118640513 /nfs/dbraw/zinc/64/05/13/1118640513.db2.gz QUPPFHMMCJFYBY-UHFFFAOYSA-N 0 1 252.789 3.603 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H](C)c1cnc(C)s1 ZINC000090400025 1118642066 /nfs/dbraw/zinc/64/20/66/1118642066.db2.gz XDZOQTNUCKMFJN-WDEREUQCSA-N 0 1 276.405 3.872 20 0 CHADMN Cn1cnc2cc(CN[C@H]3CSc4ccccc43)ccc21 ZINC000341259860 1118643507 /nfs/dbraw/zinc/64/35/07/1118643507.db2.gz BMOKLTVQFKWHRB-HNNXBMFYSA-N 0 1 295.411 3.510 20 0 CHADMN COc1cccc(CNc2nccc(C)c2C2CC2)c1OC ZINC000656779902 1118654514 /nfs/dbraw/zinc/65/45/14/1118654514.db2.gz WYTPUPVIJLSLCG-UHFFFAOYSA-N 0 1 298.386 3.897 20 0 CHADMN Cc1ccnc(NCc2ccnn2C(C)C)c1C1CC1 ZINC000656779314 1118655977 /nfs/dbraw/zinc/65/59/77/1118655977.db2.gz MDRPXHUIZSVBLF-UHFFFAOYSA-N 0 1 270.380 3.657 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000625775883 1118664035 /nfs/dbraw/zinc/66/40/35/1118664035.db2.gz XEPDWVPWPZPPOV-UHTWSYAYSA-N 0 1 283.387 3.996 20 0 CHADMN CCC[C@H](N[C@H](CC)C1CCCCC1)C(=O)OCC ZINC000097988398 1118666188 /nfs/dbraw/zinc/66/61/88/1118666188.db2.gz FWKDDXLRQTVPJZ-CABCVRRESA-N 0 1 269.429 3.667 20 0 CHADMN CCOc1ccc(CNCc2c(C)noc2C)cc1Cl ZINC000341334864 1118666965 /nfs/dbraw/zinc/66/69/65/1118666965.db2.gz LGKSKAPDUAVRPR-UHFFFAOYSA-N 0 1 294.782 3.633 20 0 CHADMN COc1ccc(C)cc1CN[C@H](c1ccccn1)C(C)C ZINC000076903286 1128792727 /nfs/dbraw/zinc/79/27/27/1128792727.db2.gz KFBSEQVJESITAD-SFHVURJKSA-N 0 1 284.403 3.886 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[C@H](C)NCc1cocn1 ZINC000684380322 1118668837 /nfs/dbraw/zinc/66/88/37/1118668837.db2.gz WJWMZIQVJWNLRB-QWRGUYRKSA-N 0 1 264.756 3.610 20 0 CHADMN Cc1nsc(C)c1CN[C@]1(C)CCOc2ccccc21 ZINC000933370372 1118671056 /nfs/dbraw/zinc/67/10/56/1118671056.db2.gz LGAZNZVHLGKGSM-MRXNPFEDSA-N 0 1 288.416 3.547 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2cnc(C)s2)c1 ZINC000090403062 1118676141 /nfs/dbraw/zinc/67/61/41/1118676141.db2.gz IYVPUYBMQNLWMM-LLVKDONJSA-N 0 1 276.405 3.701 20 0 CHADMN CCC(C)(C)OCCNCc1nc(C(C)(C)C)cs1 ZINC000308691924 1118682659 /nfs/dbraw/zinc/68/26/59/1118682659.db2.gz KCOJFPWXMBIJPM-UHFFFAOYSA-N 0 1 284.469 3.735 20 0 CHADMN CC(C)(NCC1CCC(C(F)(F)F)CC1)C(F)F ZINC000684413183 1118686783 /nfs/dbraw/zinc/68/67/83/1118686783.db2.gz AXBXCHJMVSFMET-UHFFFAOYSA-N 0 1 273.289 3.988 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1noc2c1CC(C)(C)CC2 ZINC001167482219 1118690314 /nfs/dbraw/zinc/69/03/14/1118690314.db2.gz HJQZXFZBZPVXJE-QWHCGFSZSA-N 0 1 276.424 3.810 20 0 CHADMN FC(F)(F)[C@H]1CCC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC000891480775 1118691949 /nfs/dbraw/zinc/69/19/49/1118691949.db2.gz SXULYFUFUGPFNA-ZDUSSCGKSA-N 0 1 298.352 3.735 20 0 CHADMN FC(F)(F)[C@H]1CCCN(Cc2nccc3c2CCCC3)C1 ZINC000891480775 1118691956 /nfs/dbraw/zinc/69/19/56/1118691956.db2.gz SXULYFUFUGPFNA-ZDUSSCGKSA-N 0 1 298.352 3.735 20 0 CHADMN CCn1cc(C[N@H+]2CCC[C@H]2c2cccs2)c(C)n1 ZINC000891498567 1118696363 /nfs/dbraw/zinc/69/63/63/1118696363.db2.gz JGGWFBAKPOVONF-AWEZNQCLSA-N 0 1 275.421 3.610 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(F)c(F)cc2OC)C1 ZINC001143400620 1118714260 /nfs/dbraw/zinc/71/42/60/1118714260.db2.gz YIZJPPMGPGYRLJ-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CCC1CCC(N(C)Cc2nccn2C2CC2)CC1 ZINC000891601844 1118720145 /nfs/dbraw/zinc/72/01/45/1118720145.db2.gz KJELNYQLGFKOTN-UHFFFAOYSA-N 0 1 261.413 3.619 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1cc(C)cc(C)c1)CCO2 ZINC000341543706 1118731799 /nfs/dbraw/zinc/73/17/99/1118731799.db2.gz ZPWBDEDCAONVBV-SFHVURJKSA-N 0 1 297.398 3.925 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cc(C)ccc2C)nc1 ZINC000126940056 1118734938 /nfs/dbraw/zinc/73/49/38/1118734938.db2.gz GPXRAALZHIZSEA-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN COc1ccc(F)c(F)c1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001143405158 1118742143 /nfs/dbraw/zinc/74/21/43/1118742143.db2.gz VLOCQCQKOVOHEO-TXEJJXNPSA-N 0 1 281.346 3.595 20 0 CHADMN c1cc(-c2ccccc2)oc1C[N@H+]1CCOCC2(CC2)C1 ZINC000341566913 1118743260 /nfs/dbraw/zinc/74/32/60/1118743260.db2.gz QTKNPKCULPWNPS-UHFFFAOYSA-N 0 1 283.371 3.559 20 0 CHADMN c1cc(-c2ccccc2)oc1CN1CCOCC2(CC2)C1 ZINC000341566913 1118743263 /nfs/dbraw/zinc/74/32/63/1118743263.db2.gz QTKNPKCULPWNPS-UHFFFAOYSA-N 0 1 283.371 3.559 20 0 CHADMN CC(C)Cn1nccc1CNCc1cccc(C(C)C)c1 ZINC000647203002 1118747029 /nfs/dbraw/zinc/74/70/29/1118747029.db2.gz DTCGECZPZAGMNN-UHFFFAOYSA-N 0 1 285.435 3.952 20 0 CHADMN CCN(Cc1cn(CC)nc1C)[C@H](C)c1cccc(O)c1 ZINC000891713387 1118750119 /nfs/dbraw/zinc/75/01/19/1118750119.db2.gz BSQWMUDKJXVJBQ-CQSZACIVSA-N 0 1 287.407 3.500 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2nccc3c2CCCC3)on1 ZINC000891718776 1118750414 /nfs/dbraw/zinc/75/04/14/1118750414.db2.gz NRWKNLWRGAGGDK-QGZVFWFLSA-N 0 1 297.402 3.594 20 0 CHADMN CCC1(CC)CCCN(C(=O)c2ccc3cncn3c2)CC1 ZINC000341610239 1118757315 /nfs/dbraw/zinc/75/73/15/1118757315.db2.gz GHOHVMGGORDAJD-UHFFFAOYSA-N 0 1 299.418 3.767 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](C)c2cccnc2)ccc1F ZINC000131560756 1118762196 /nfs/dbraw/zinc/76/21/96/1118762196.db2.gz DWLCIAKKYRSYPU-NEPJUHHUSA-N 0 1 274.339 3.641 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@@H+](C)CC1(O)CCCC1 ZINC000087463922 1118762536 /nfs/dbraw/zinc/76/25/36/1118762536.db2.gz XAYUMKAXKKSWHS-LBPRGKRZSA-N 0 1 267.800 3.638 20 0 CHADMN Cc1[nH]ncc1CNc1cccc(SC(F)F)c1 ZINC000129205233 1118769597 /nfs/dbraw/zinc/76/95/97/1118769597.db2.gz TWCAHOMEYOLJDS-UHFFFAOYSA-N 0 1 269.320 3.645 20 0 CHADMN CCCCOCCN(C)[C@H](C)c1ccccc1F ZINC000056494901 1118773490 /nfs/dbraw/zinc/77/34/90/1118773490.db2.gz CMDOFHDSPSGBOV-CYBMUJFWSA-N 0 1 253.361 3.635 20 0 CHADMN CC(C)(C)c1coc(CN2CCC[C@@H]3CCC[C@H]32)n1 ZINC000891804162 1118784042 /nfs/dbraw/zinc/78/40/42/1118784042.db2.gz OPIATCORASNXIR-QWHCGFSZSA-N 0 1 262.397 3.737 20 0 CHADMN Clc1ccc(/C=C\CN2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000510661393 1118784072 /nfs/dbraw/zinc/78/40/72/1118784072.db2.gz YOONPDMADDQGBG-INQOVCNISA-N 0 1 277.795 3.607 20 0 CHADMN Cc1nocc1CN1CCCC[C@@H]1c1ccccc1 ZINC000293715864 1118787896 /nfs/dbraw/zinc/78/78/96/1118787896.db2.gz VBWIWLSSDWXSPO-MRXNPFEDSA-N 0 1 256.349 3.710 20 0 CHADMN CC(C)c1ccoc1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000341659832 1118788630 /nfs/dbraw/zinc/78/86/30/1118788630.db2.gz KAQCYWOVXNBZKD-UHFFFAOYSA-N 0 1 287.294 3.671 20 0 CHADMN CC[C@@H](NC1CCC(CSC)CC1)C(F)F ZINC000449366313 1118799340 /nfs/dbraw/zinc/79/93/40/1118799340.db2.gz YRQJLZAPOXHDEQ-VQXHTEKXSA-N 0 1 251.386 3.542 20 0 CHADMN Cc1ccncc1CN[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000341696904 1118799886 /nfs/dbraw/zinc/79/98/86/1118799886.db2.gz GDEMLJUWIJYQBP-SNVBAGLBSA-N 0 1 280.293 3.658 20 0 CHADMN FC(F)Oc1ccccc1CNc1ccc2c[nH]nc2c1 ZINC000037134262 1118813245 /nfs/dbraw/zinc/81/32/45/1118813245.db2.gz AKHUEVDOFUHNLO-UHFFFAOYSA-N 0 1 289.285 3.776 20 0 CHADMN C[C@H](CCc1ccc(C(F)(F)F)cc1)NC(CF)CF ZINC000449379980 1118819880 /nfs/dbraw/zinc/81/98/80/1118819880.db2.gz LIGJWGWNEFJGNA-SNVBAGLBSA-N 0 1 295.295 3.924 20 0 CHADMN COc1cccc(CN[C@@H](c2ccc(C)cc2)C2CC2)n1 ZINC000091333314 1118826159 /nfs/dbraw/zinc/82/61/59/1118826159.db2.gz ZPCVEMPQLBAQRO-SFHVURJKSA-N 0 1 282.387 3.640 20 0 CHADMN CC(C)(C)c1nc(CN[C@H]2CCOC23CCCCC3)co1 ZINC000933874105 1118826912 /nfs/dbraw/zinc/82/69/12/1118826912.db2.gz FMKOZHMUWIFPBI-AWEZNQCLSA-N 0 1 292.423 3.554 20 0 CHADMN CCn1cc(C[N@H+]2CCC[C@@H]2c2ccccc2OC)c(C)n1 ZINC000891918742 1118847389 /nfs/dbraw/zinc/84/73/89/1118847389.db2.gz ZBKTYCRVAGEDPA-QGZVFWFLSA-N 0 1 299.418 3.557 20 0 CHADMN CCn1cc(CN2CCC[C@@H]2c2ccccc2OC)c(C)n1 ZINC000891918742 1118847395 /nfs/dbraw/zinc/84/73/95/1118847395.db2.gz ZBKTYCRVAGEDPA-QGZVFWFLSA-N 0 1 299.418 3.557 20 0 CHADMN Cc1nc(C2(NC[C@@H]3CCC[C@@H](C)C3)CCCC2)no1 ZINC000092564626 1118857328 /nfs/dbraw/zinc/85/73/28/1118857328.db2.gz UMADXEBDPKVHNF-TZMCWYRMSA-N 0 1 277.412 3.563 20 0 CHADMN Cc1noc(C)c1C[C@@H](C)Nc1cc[nH+]c2c([O-])cccc12 ZINC000684574322 1118859186 /nfs/dbraw/zinc/85/91/86/1118859186.db2.gz VMLLVMVKBZMUOE-SNVBAGLBSA-N 0 1 297.358 3.588 20 0 CHADMN Cc1nc(C)c(CNc2cc[nH+]c3c([O-])cccc23)s1 ZINC000684575360 1118860494 /nfs/dbraw/zinc/86/04/94/1118860494.db2.gz GVWWHNUFBGEMIM-UHFFFAOYSA-N 0 1 285.372 3.626 20 0 CHADMN CCc1noc(CC)c1CNc1cc[nH+]c2c([O-])cccc12 ZINC000684576107 1118860977 /nfs/dbraw/zinc/86/09/77/1118860977.db2.gz KMBZQLRJQAICPC-UHFFFAOYSA-N 0 1 297.358 3.665 20 0 CHADMN Cc1ccc(SCCNCc2ncc(Cl)s2)cc1 ZINC000349632354 1118862798 /nfs/dbraw/zinc/86/27/98/1118862798.db2.gz QEDIWPKMUOOBLR-UHFFFAOYSA-N 0 1 298.864 3.987 20 0 CHADMN CC[C@@H](NCc1ccc(C)cn1)c1ccc(OC)cc1 ZINC000133593552 1118865725 /nfs/dbraw/zinc/86/57/25/1118865725.db2.gz UONKVZWHTQLRKT-QGZVFWFLSA-N 0 1 270.376 3.640 20 0 CHADMN [O-]c1cccc2c(NC3CCC(F)(F)CC3)cc[nH+]c12 ZINC000684582103 1118869835 /nfs/dbraw/zinc/86/98/35/1118869835.db2.gz TWASXDDVSACAAB-UHFFFAOYSA-N 0 1 278.302 3.930 20 0 CHADMN Cc1cscc1CN[C@H](C)c1cccc2c1OCO2 ZINC000926300316 1118872421 /nfs/dbraw/zinc/87/24/21/1118872421.db2.gz BBNQGPKELVETMQ-LLVKDONJSA-N 0 1 275.373 3.636 20 0 CHADMN Cc1cscc1CNc1cc[nH+]c2c([O-])cccc12 ZINC000684589902 1118879047 /nfs/dbraw/zinc/87/90/47/1118879047.db2.gz NKLXYSCDRMLKED-UHFFFAOYSA-N 0 1 270.357 3.922 20 0 CHADMN COc1ccc(F)c(F)c1CN(C)[C@H]1CC[C@H](C)CC1 ZINC001143422090 1118929907 /nfs/dbraw/zinc/92/99/07/1118929907.db2.gz UOTVXYWDRWYHCX-HAQNSBGRSA-N 0 1 283.362 3.984 20 0 CHADMN COc1ccc([C@@H](C)CSc2nc(C3CC3)n[nH]2)cc1 ZINC000657240642 1118930124 /nfs/dbraw/zinc/93/01/24/1118930124.db2.gz ISTHPTVQRMODEK-JTQLQIEISA-N 0 1 289.404 3.587 20 0 CHADMN COc1ccc([C@@H](C)CSc2n[nH]c(C3CC3)n2)cc1 ZINC000657240642 1118930125 /nfs/dbraw/zinc/93/01/25/1118930125.db2.gz ISTHPTVQRMODEK-JTQLQIEISA-N 0 1 289.404 3.587 20 0 CHADMN C[C@@H]1CCN(Cc2ncccc2C(F)(F)F)[C@H](C)C1 ZINC000092762270 1118930658 /nfs/dbraw/zinc/93/06/58/1118930658.db2.gz SMTKQIZRABAZQJ-GHMZBOCLSA-N 0 1 272.314 3.721 20 0 CHADMN CC(C)(C)c1n[nH]c(SC[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000657242194 1118931483 /nfs/dbraw/zinc/93/14/83/1118931483.db2.gz BGLMUWIOKDQJEG-OUAUKWLOSA-N 0 1 265.426 3.631 20 0 CHADMN CC(C)(C)c1nc(SC[C@@H]2CC[C@H]3C[C@H]3C2)n[nH]1 ZINC000657242194 1118931489 /nfs/dbraw/zinc/93/14/89/1118931489.db2.gz BGLMUWIOKDQJEG-OUAUKWLOSA-N 0 1 265.426 3.631 20 0 CHADMN CCc1nc([C@@H](C)Sc2ccnc3ccccc32)n[nH]1 ZINC000657246167 1118932680 /nfs/dbraw/zinc/93/26/80/1118932680.db2.gz BFENAVNWHHKHQP-SNVBAGLBSA-N 0 1 284.388 3.769 20 0 CHADMN Cc1nc(CN[C@H]2C[C@H](OC(C)(C)C)C2(C)C)cs1 ZINC000657250299 1118934964 /nfs/dbraw/zinc/93/49/64/1118934964.db2.gz GDGQIVRQRRDWCJ-STQMWFEESA-N 0 1 282.453 3.523 20 0 CHADMN COc1ccc(CN2CCS[C@H](c3ccccc3)C2)o1 ZINC000892052073 1118949480 /nfs/dbraw/zinc/94/94/80/1118949480.db2.gz JLEVOMSLKOZIEU-HNNXBMFYSA-N 0 1 289.400 3.578 20 0 CHADMN CN(Cc1ccc(Cl)cc1OC(F)(F)F)C1CC1 ZINC001143427269 1118953664 /nfs/dbraw/zinc/95/36/64/1118953664.db2.gz DGXGKBUFRSONSY-UHFFFAOYSA-N 0 1 279.689 3.833 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1Cc1nc(C(C)(C)C)co1 ZINC000892069131 1118954940 /nfs/dbraw/zinc/95/49/40/1118954940.db2.gz XYGOTGJGQQZFLG-NWDGAFQWSA-N 0 1 250.386 3.593 20 0 CHADMN CCC[C@](C)(NCc1nccn1CC)c1ccccc1 ZINC000934182442 1118956742 /nfs/dbraw/zinc/95/67/42/1118956742.db2.gz MSNJFBWPOZFDEO-KRWDZBQOSA-N 0 1 271.408 3.708 20 0 CHADMN Cc1c[nH]c(CN[C@@H](c2ccc(Cl)cc2)C(C)C)n1 ZINC000657295129 1118964038 /nfs/dbraw/zinc/96/40/38/1118964038.db2.gz JCLIPHFQPUCRJP-OAHLLOKOSA-N 0 1 277.799 3.858 20 0 CHADMN Cn1cc([C@@H](NCc2ccc(F)cc2F)C(C)(C)C)cn1 ZINC000342288882 1118968767 /nfs/dbraw/zinc/96/87/67/1118968767.db2.gz AHSYXWVMUMHLNV-OAHLLOKOSA-N 0 1 293.361 3.575 20 0 CHADMN CCC[C@]1(C)CCCN(CC(=O)Nc2ccc(C)cc2)C1 ZINC001167508897 1118968988 /nfs/dbraw/zinc/96/89/88/1118968988.db2.gz JOZUAKRISNYCAG-GOSISDBHSA-N 0 1 288.435 3.836 20 0 CHADMN Fc1ccccc1C1(NCc2cccc3nccn32)CCC1 ZINC000647237346 1118976208 /nfs/dbraw/zinc/97/62/08/1118976208.db2.gz SXJZKINNKYQLAF-UHFFFAOYSA-N 0 1 295.361 3.642 20 0 CHADMN C[C@H](NCc1ncc[nH]1)c1ccc(F)c2ccccc21 ZINC000342328857 1118978514 /nfs/dbraw/zinc/97/85/14/1118978514.db2.gz YERJSOSNGZKXJN-NSHDSACASA-N 0 1 269.323 3.553 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2nc3cc(F)ccc3o2)C1 ZINC000151896680 1118979049 /nfs/dbraw/zinc/97/90/49/1118979049.db2.gz PQYNAECIWVFWSP-GHMZBOCLSA-N 0 1 262.328 3.587 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CNCc1cncc(F)c1 ZINC000342336939 1118982411 /nfs/dbraw/zinc/98/24/11/1118982411.db2.gz YQOQLPCTDMVPEW-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN OC[C@H]1CCCCCN1Cc1cccc(Cl)c1Cl ZINC000228903335 1118982746 /nfs/dbraw/zinc/98/27/46/1118982746.db2.gz QFHRHOGVIXLXAY-GFCCVEGCSA-N 0 1 288.218 3.730 20 0 CHADMN CCCn1nccc1CNCc1csc2ccccc12 ZINC000657312035 1118984161 /nfs/dbraw/zinc/98/41/61/1118984161.db2.gz AFAXAJINTJACDI-UHFFFAOYSA-N 0 1 285.416 3.798 20 0 CHADMN Cc1cc2c(cc1C)[C@@H](NCc1ccco1)CCCO2 ZINC000152039718 1118996188 /nfs/dbraw/zinc/99/61/88/1118996188.db2.gz SPWLHDOXTDWOSI-INIZCTEOSA-N 0 1 271.360 3.900 20 0 CHADMN CCC(CC)(CNCc1nc(C(C)(C)C)co1)SC ZINC000724438501 1119008036 /nfs/dbraw/zinc/00/80/36/1119008036.db2.gz PICPTXQJFXGRMS-UHFFFAOYSA-N 0 1 284.469 3.984 20 0 CHADMN Cc1nsc(C)c1CN1CCCC[C@H]1c1cccn1C ZINC000582130018 1119018347 /nfs/dbraw/zinc/01/83/47/1119018347.db2.gz NHXJTRVLPTVLFN-INIZCTEOSA-N 0 1 289.448 3.826 20 0 CHADMN C[C@@H]1CN(Cc2cccc3[nH]c(=O)oc32)[C@H]1c1ccccc1 ZINC000892194418 1119018460 /nfs/dbraw/zinc/01/84/60/1119018460.db2.gz FZIZLFXUUFSYIC-MLGOLLRUSA-N 0 1 294.354 3.726 20 0 CHADMN CC[C@@H](NCc1cc(COC)cs1)c1nc(C)cs1 ZINC000657350863 1119021221 /nfs/dbraw/zinc/02/12/21/1119021221.db2.gz XBAAPVSLMRNKOC-CYBMUJFWSA-N 0 1 296.461 3.900 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CCCCc2sccc21 ZINC000684785642 1119029597 /nfs/dbraw/zinc/02/95/97/1119029597.db2.gz MVOMTSCMQVAWNR-UHFFFAOYSA-N 0 1 297.383 3.608 20 0 CHADMN C[C@H](CC(=O)[O-])[N@@H+](C)Cc1ccc(Cl)c2ccccc12 ZINC000582192686 1119031818 /nfs/dbraw/zinc/03/18/18/1119031818.db2.gz QEVSGWIFYWWGIB-LLVKDONJSA-N 0 1 291.778 3.788 20 0 CHADMN COCc1csc(CN[C@@H]2CSc3ccccc32)c1 ZINC000657365661 1119033179 /nfs/dbraw/zinc/03/31/79/1119033179.db2.gz DOYAOBZOAKARJP-CQSZACIVSA-N 0 1 291.441 3.831 20 0 CHADMN COC[C@H](NCc1cc2ccc(C)cc2[nH]1)c1ccccc1 ZINC000657369050 1119035412 /nfs/dbraw/zinc/03/54/12/1119035412.db2.gz WSDLGFMTEASAIM-IBGZPJMESA-N 0 1 294.398 3.954 20 0 CHADMN CC[C@@H]1C[C@H](N[C@@H](C)c2c(F)cccc2Cl)CO1 ZINC000657385367 1119046570 /nfs/dbraw/zinc/04/65/70/1119046570.db2.gz VBQYXMSPKNJXOT-GARJFASQSA-N 0 1 271.763 3.697 20 0 CHADMN CC(C)N(Cc1nc(-c2cccs2)no1)C1CCC1 ZINC000119736791 1119047877 /nfs/dbraw/zinc/04/78/77/1119047877.db2.gz HEDBCPGRDFLNRR-UHFFFAOYSA-N 0 1 277.393 3.561 20 0 CHADMN CC[C@H](NCc1cccc(C)n1)c1ccc2c(c1)CCO2 ZINC000051575473 1119048412 /nfs/dbraw/zinc/04/84/12/1119048412.db2.gz GIXROMWYQJIPPO-KRWDZBQOSA-N 0 1 282.387 3.566 20 0 CHADMN CCc1ccc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)s1 ZINC000135027814 1119048717 /nfs/dbraw/zinc/04/87/17/1119048717.db2.gz PIYMMNFZONOSIX-LBPRGKRZSA-N 0 1 295.448 3.633 20 0 CHADMN Cc1c[nH]c(CN[C@H](c2cccc(C)c2)C(C)(C)C)n1 ZINC000657390507 1119050764 /nfs/dbraw/zinc/05/07/64/1119050764.db2.gz XBYIVZLWBUQEDR-MRXNPFEDSA-N 0 1 271.408 3.904 20 0 CHADMN CCCOc1ccc(CN[C@@H]2CCCc3c[nH]nc32)c(C)c1 ZINC000657400285 1119056799 /nfs/dbraw/zinc/05/67/99/1119056799.db2.gz QQYFGRPRVALWHX-QGZVFWFLSA-N 0 1 299.418 3.674 20 0 CHADMN Cc1ccccc1[C@@H]1CCN(Cc2ccn(C(C)C)n2)C1 ZINC000342507059 1119057490 /nfs/dbraw/zinc/05/74/90/1119057490.db2.gz CNBAIFIZLFDEIK-MRXNPFEDSA-N 0 1 283.419 3.762 20 0 CHADMN CCOCCN(CC)Cc1ccsc1C(F)(F)F ZINC000628156265 1128818788 /nfs/dbraw/zinc/81/87/88/1128818788.db2.gz JJSRKJIEHHDBIP-UHFFFAOYSA-N 0 1 281.343 3.625 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2)c(C)o1 ZINC000044730645 1119060035 /nfs/dbraw/zinc/06/00/35/1119060035.db2.gz HALWGZVYUVECJI-OLZOCXBDSA-N 0 1 286.375 3.574 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000582366046 1119060131 /nfs/dbraw/zinc/06/01/31/1119060131.db2.gz XHRCFZGFFNGHCU-HOTGVXAUSA-N 0 1 275.392 3.509 20 0 CHADMN Cn1ccc(CN(Cc2ccccc2F)CC2CC2)c1 ZINC000668614593 1119070666 /nfs/dbraw/zinc/07/06/66/1119070666.db2.gz WRBPBXJJYKPKLU-UHFFFAOYSA-N 0 1 272.367 3.576 20 0 CHADMN Cc1ccc2cc(CN[C@H](C)c3n[nH]c(C(C)C)n3)[nH]c2c1 ZINC000657419298 1119071555 /nfs/dbraw/zinc/07/15/55/1119071555.db2.gz AJGFCXJZQOZYDG-GFCCVEGCSA-N 0 1 297.406 3.569 20 0 CHADMN Cc1nc[nH]c1CN1CC=C(c2ccc(Cl)cc2)CC1 ZINC001204588457 1119078059 /nfs/dbraw/zinc/07/80/59/1119078059.db2.gz CUYYSIOZQJDSAD-UHFFFAOYSA-N 0 1 287.794 3.661 20 0 CHADMN COc1ncccc1CNCc1cccc(C(C)C)c1 ZINC000657437005 1119088725 /nfs/dbraw/zinc/08/87/25/1119088725.db2.gz NUANXEGNTVQGAW-UHFFFAOYSA-N 0 1 270.376 3.503 20 0 CHADMN Cc1cnn(C)c1CNC1(c2cccc(Cl)c2)CCC1 ZINC000647252173 1119092271 /nfs/dbraw/zinc/09/22/71/1119092271.db2.gz WFOYSQFUPXYKOR-UHFFFAOYSA-N 0 1 289.810 3.551 20 0 CHADMN COc1cnccc1[C@H](C)NCc1cc2ccncc2s1 ZINC000657441951 1119094398 /nfs/dbraw/zinc/09/43/98/1119094398.db2.gz KQGKRXAUMIQSIK-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN Fc1cccc(CC[N@H+]2CCC=C(c3ccco3)C2)c1F ZINC000511136075 1119095003 /nfs/dbraw/zinc/09/50/03/1119095003.db2.gz JBWBQVRIYZICKL-UHFFFAOYSA-N 0 1 289.325 3.890 20 0 CHADMN Fc1cccc(CCN2CCC=C(c3ccco3)C2)c1F ZINC000511136075 1119095008 /nfs/dbraw/zinc/09/50/08/1119095008.db2.gz JBWBQVRIYZICKL-UHFFFAOYSA-N 0 1 289.325 3.890 20 0 CHADMN Cn1ncc(C2CCC2)c1CNCc1ccc(C2CC2)cc1 ZINC000657446218 1119098200 /nfs/dbraw/zinc/09/82/00/1119098200.db2.gz BQGAOHPMYJSZAZ-UHFFFAOYSA-N 0 1 295.430 3.855 20 0 CHADMN CC[C@H](NCc1cnc(C2CC2)nc1)c1csc(C)c1 ZINC000647254282 1119111409 /nfs/dbraw/zinc/11/14/09/1119111409.db2.gz BIWFTVKHZGRTMW-HNNXBMFYSA-N 0 1 287.432 3.965 20 0 CHADMN CC(=O)c1ccc(OCc2ccc3nc(C)[nH]c3c2)c(F)c1 ZINC000342648957 1119111989 /nfs/dbraw/zinc/11/19/89/1119111989.db2.gz FJRPEJIQCBHUCU-UHFFFAOYSA-N 0 1 298.317 3.792 20 0 CHADMN Cc1ccc([C@H](C)CN(C)Cc2nccs2)cc1 ZINC000628181392 1128822385 /nfs/dbraw/zinc/82/23/85/1128822385.db2.gz BHJGQZZWAAUBDA-CYBMUJFWSA-N 0 1 260.406 3.687 20 0 CHADMN Cc1ccoc1CNCc1cc2c(cccc2C)[nH]1 ZINC000657472772 1119117163 /nfs/dbraw/zinc/11/71/63/1119117163.db2.gz ZMXBEROYFKAWTF-UHFFFAOYSA-N 0 1 254.333 3.668 20 0 CHADMN Cn1ncc(C2CC2)c1CN[C@@H]1CCCc2c(F)cccc21 ZINC000657476273 1119118842 /nfs/dbraw/zinc/11/88/42/1119118842.db2.gz DEBXNXMEYCXXRG-QGZVFWFLSA-N 0 1 299.393 3.604 20 0 CHADMN CC(C)(C)c1cc(Nc2noc3cccnc32)ccn1 ZINC001213160831 1119119382 /nfs/dbraw/zinc/11/93/82/1119119382.db2.gz NFSAGKYMNKOSPO-UHFFFAOYSA-N 0 1 268.320 3.659 20 0 CHADMN CCO[C@@H]1C[C@@H](N(C)Cc2cnc(C)o2)C12CCCCC2 ZINC000628183457 1128822933 /nfs/dbraw/zinc/82/29/33/1128822933.db2.gz BZNCDXDSLHDOLN-HZPDHXFCSA-N 0 1 292.423 3.543 20 0 CHADMN c1ccc2c(c1)CN(Cc1ccc3ncccc3c1)C2 ZINC000119956579 1119122628 /nfs/dbraw/zinc/12/26/28/1119122628.db2.gz BHFRDWBKMDGRAR-UHFFFAOYSA-N 0 1 260.340 3.751 20 0 CHADMN C[N@@H+](Cc1ccccc1F)[C@H]1CCCN(c2ccccc2)C1 ZINC001167587212 1119122746 /nfs/dbraw/zinc/12/27/46/1119122746.db2.gz WCMSKVABAOTFCH-SFHVURJKSA-N 0 1 298.405 3.927 20 0 CHADMN Cc1cc(-c2noc([C@H](C)NCC[C@H](C)F)n2)ccc1F ZINC000375719338 1119124985 /nfs/dbraw/zinc/12/49/85/1119124985.db2.gz WFYMRBKGKQRUIZ-QWRGUYRKSA-N 0 1 295.333 3.583 20 0 CHADMN CCCc1ncc(CNCc2cc3ccncc3s2)o1 ZINC000657486376 1119126529 /nfs/dbraw/zinc/12/65/29/1119126529.db2.gz YJBHQXVSLDSAML-UHFFFAOYSA-N 0 1 287.388 3.527 20 0 CHADMN COCCN(Cc1ccc(C)o1)Cc1ccc2[nH]ccc2c1 ZINC000628184897 1128823298 /nfs/dbraw/zinc/82/32/98/1128823298.db2.gz BYTCCGUQFXTFQS-UHFFFAOYSA-N 0 1 298.386 3.718 20 0 CHADMN Cc1nc(CN2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)[nH]c1C ZINC000628181304 1128823318 /nfs/dbraw/zinc/82/33/18/1128823318.db2.gz XVLFPXIGMVJHAW-NHYWBVRUSA-N 0 1 287.382 3.544 20 0 CHADMN Cc1nc(Cl)cc(Nc2ccnc(C(C)(C)C)c2)n1 ZINC001213161030 1119127156 /nfs/dbraw/zinc/12/71/56/1119127156.db2.gz YTNSFKBBGCJYGD-UHFFFAOYSA-N 0 1 276.771 3.875 20 0 CHADMN Cc1ccc2cc(CN[C@@H]3COCc4ccccc43)[nH]c2c1 ZINC000657494384 1119130901 /nfs/dbraw/zinc/13/09/01/1119130901.db2.gz NNBZXIJGFZYEDY-LJQANCHMSA-N 0 1 292.382 3.837 20 0 CHADMN Fc1c(CN[C@@H]2C[C@H]2c2ccco2)cccc1OC1CC1 ZINC000657497022 1119131355 /nfs/dbraw/zinc/13/13/55/1119131355.db2.gz UUZQZGYCYQUTEK-ZIAGYGMSSA-N 0 1 287.334 3.606 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1ccn(-c2ccccc2)n1 ZINC000342712962 1119138277 /nfs/dbraw/zinc/13/82/77/1119138277.db2.gz JKDHWUXSIGQBEA-GASCZTMLSA-N 0 1 269.392 3.635 20 0 CHADMN CCCc1cccc(CN2CC3(CCC3(F)F)C2)c1 ZINC000582638309 1119140323 /nfs/dbraw/zinc/14/03/23/1119140323.db2.gz YRNZZCZAPNMWOW-UHFFFAOYSA-N 0 1 265.347 3.870 20 0 CHADMN COc1cc(CN[C@H]2CCCc3cccnc32)ccc1C ZINC000684956638 1119141168 /nfs/dbraw/zinc/14/11/68/1119141168.db2.gz VAJIHWDILRRGGL-INIZCTEOSA-N 0 1 282.387 3.566 20 0 CHADMN CSc1ccc(CN[C@@H]2CCCc3cccnc32)cc1 ZINC000684954269 1119141411 /nfs/dbraw/zinc/14/14/11/1119141411.db2.gz BJQNAFLKGOHGGM-MRXNPFEDSA-N 0 1 284.428 3.971 20 0 CHADMN COc1ccc(CN[C@H]2CCCc3cccnc32)c(C)c1 ZINC000684960166 1119143837 /nfs/dbraw/zinc/14/38/37/1119143837.db2.gz TXMOUPCMTHTGEY-KRWDZBQOSA-N 0 1 282.387 3.566 20 0 CHADMN C[C@H]1C[C@@H](Nc2ccnc3cc(F)ccc32)CS1 ZINC000413515031 1119150381 /nfs/dbraw/zinc/15/03/81/1119150381.db2.gz JSEFVDNKMMTPEW-GXSJLCMTSA-N 0 1 262.353 3.680 20 0 CHADMN Fc1ccc(CNCc2ccc3ncccc3c2)c(F)c1 ZINC000050198649 1119153257 /nfs/dbraw/zinc/15/32/57/1119153257.db2.gz FHMJQPNQSGZEBZ-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN C[C@@H](CC(=O)NC[C@H](c1ccsc1)N(C)C)C(C)(C)C ZINC000342774633 1119161961 /nfs/dbraw/zinc/16/19/61/1119161961.db2.gz DTIMGFAAWMCXLD-GXTWGEPZSA-N 0 1 296.480 3.539 20 0 CHADMN Cc1cnc(CN2CCCC3(CCCCC3)CC2)n1C ZINC000342780908 1119164113 /nfs/dbraw/zinc/16/41/13/1119164113.db2.gz DLCSDKUAMODFBS-UHFFFAOYSA-N 0 1 275.440 3.665 20 0 CHADMN CC[C@H](NC(=O)[C@H](C)N1CCCCCC1)c1cccs1 ZINC000074510233 1119166265 /nfs/dbraw/zinc/16/62/65/1119166265.db2.gz UXVFCGOKQVEJSF-KBPBESRZSA-N 0 1 294.464 3.580 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N2CCC[C@H](C)C2)n1 ZINC000074981229 1119172099 /nfs/dbraw/zinc/17/20/99/1119172099.db2.gz CNDBWNQUVGAORA-JSGCOSHPSA-N 0 1 285.391 3.838 20 0 CHADMN CCC1CCC(N(Cc2ncc(C)n2C)C2CC2)CC1 ZINC000342798461 1119174654 /nfs/dbraw/zinc/17/46/54/1119174654.db2.gz JPZRDCXVRFYRAJ-UHFFFAOYSA-N 0 1 275.440 3.662 20 0 CHADMN CCc1cnc(C[N@H+]2CCCC3(CCCCC3)C2)o1 ZINC000075739058 1119177547 /nfs/dbraw/zinc/17/75/47/1119177547.db2.gz BQXKUVQCXLQZFK-UHFFFAOYSA-N 0 1 262.397 3.783 20 0 CHADMN CCc1cnc(CN2CCCC3(CCCCC3)C2)o1 ZINC000075739058 1119177549 /nfs/dbraw/zinc/17/75/49/1119177549.db2.gz BQXKUVQCXLQZFK-UHFFFAOYSA-N 0 1 262.397 3.783 20 0 CHADMN COCc1nc(CN2CC[C@H](C)[C@H]3CCCC[C@@H]32)cs1 ZINC000075625374 1119178269 /nfs/dbraw/zinc/17/82/69/1119178269.db2.gz ZCLYLTVAPWKDAH-CFVMTHIKSA-N 0 1 294.464 3.690 20 0 CHADMN CCc1cnc(CN2CC[C@@H](c3ccccc3C)C2)o1 ZINC000075680184 1119180113 /nfs/dbraw/zinc/18/01/13/1119180113.db2.gz FHZCRTPYVAIEJF-CQSZACIVSA-N 0 1 270.376 3.535 20 0 CHADMN CCc1cnc(CN(C)[C@@H](CC)Cc2ccccc2)o1 ZINC000075768149 1119181262 /nfs/dbraw/zinc/18/12/62/1119181262.db2.gz DQFUHOQEPPAGPO-HNNXBMFYSA-N 0 1 272.392 3.690 20 0 CHADMN O[C@@H](C[N@H+]1CCC[C@@H]1c1ccsc1)c1ccccc1F ZINC000076199825 1119184006 /nfs/dbraw/zinc/18/40/06/1119184006.db2.gz PCAXUXWSMOZSSW-CVEARBPZSA-N 0 1 291.391 3.758 20 0 CHADMN CC[C@@H](COCC1CC1)NCc1ncc(C(C)C)s1 ZINC000657561349 1119185575 /nfs/dbraw/zinc/18/55/75/1119185575.db2.gz IFKPCSCAYUEPOF-ZDUSSCGKSA-N 0 1 282.453 3.561 20 0 CHADMN CC(C)n1ccc(CN(C)[C@@H](C)Cc2cccs2)n1 ZINC001167608032 1119187781 /nfs/dbraw/zinc/18/77/81/1119187781.db2.gz IJNCPFBWSBGKRI-ZDUSSCGKSA-N 0 1 277.437 3.589 20 0 CHADMN Cc1nc(C)c(CNCc2ccc([C@H]3C[C@H]3C)o2)s1 ZINC000076866799 1119188282 /nfs/dbraw/zinc/18/82/82/1119188282.db2.gz IIBAWIBUTZGSKL-RNCFNFMXSA-N 0 1 276.405 3.766 20 0 CHADMN CC(C)n1nccc1CNCc1ccc2occc2c1 ZINC000657584891 1119198664 /nfs/dbraw/zinc/19/86/64/1119198664.db2.gz KCHWNRRTBCXYLE-UHFFFAOYSA-N 0 1 269.348 3.500 20 0 CHADMN C[C@@H](NCc1cccnc1OCC(F)F)c1ccccc1 ZINC000118963407 1119201901 /nfs/dbraw/zinc/20/19/01/1119201901.db2.gz LDLCLQKVKMRALG-GFCCVEGCSA-N 0 1 292.329 3.576 20 0 CHADMN COC[C@@H](NCc1sccc1C)c1cccc(OC)c1 ZINC000657611025 1119207576 /nfs/dbraw/zinc/20/75/76/1119207576.db2.gz IVLRLANUVSFCSH-OAHLLOKOSA-N 0 1 291.416 3.542 20 0 CHADMN CC(C)[C@H](NCc1ccccn1)c1ccccc1F ZINC000657614500 1119208995 /nfs/dbraw/zinc/20/89/95/1119208995.db2.gz DAIQVOIVZKMTOJ-INIZCTEOSA-N 0 1 258.340 3.708 20 0 CHADMN COc1cncc(CN[C@@H](c2ccccc2F)C(C)C)c1 ZINC000657614192 1119209058 /nfs/dbraw/zinc/20/90/58/1119209058.db2.gz IGZSJLLCBXUPAM-QGZVFWFLSA-N 0 1 288.366 3.716 20 0 CHADMN Cc1[nH+]ccn1CCCCNc1cc[nH+]c2ccccc12 ZINC000078336337 1119211692 /nfs/dbraw/zinc/21/16/92/1119211692.db2.gz UIVQPHKHCGKYSS-UHFFFAOYSA-N 0 1 280.375 3.632 20 0 CHADMN COc1cccc(CN2CC[C@@H]2C(C)C)c1OC(F)F ZINC000342862675 1119215500 /nfs/dbraw/zinc/21/55/00/1119215500.db2.gz ULIUNWIGELNZOO-GFCCVEGCSA-N 0 1 285.334 3.527 20 0 CHADMN Cc1ccc([C@H](NCc2cncc(C)c2)C2CCC2)o1 ZINC000349785767 1119219821 /nfs/dbraw/zinc/21/98/21/1119219821.db2.gz UROXRLVTJDMHGE-QGZVFWFLSA-N 0 1 270.376 3.922 20 0 CHADMN Cc1ccc2oc(CNCc3ccnn3CC3CC3)cc2c1 ZINC000657652141 1119224329 /nfs/dbraw/zinc/22/43/29/1119224329.db2.gz COFFIZBSMDFCBK-UHFFFAOYSA-N 0 1 295.386 3.638 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000153442258 1119230207 /nfs/dbraw/zinc/23/02/07/1119230207.db2.gz VIHSCUFWZWISNA-ZDUSSCGKSA-N 0 1 299.418 3.949 20 0 CHADMN CC(C)Cc1ccc(CNCc2c(C3CC3)cnn2C)cc1 ZINC000657663215 1119231582 /nfs/dbraw/zinc/23/15/82/1119231582.db2.gz DTZJLVLIJXKJFZ-UHFFFAOYSA-N 0 1 297.446 3.786 20 0 CHADMN CC(C)[C@@H](C)N(Cc1nccn1Cc1ccccc1)C1CC1 ZINC000078530451 1119232473 /nfs/dbraw/zinc/23/24/73/1119232473.db2.gz HISYLHFXCQZICD-MRXNPFEDSA-N 0 1 297.446 3.940 20 0 CHADMN CCC[C@@H](CCO)CNc1ccnc2cc(F)ccc21 ZINC000078673445 1119244443 /nfs/dbraw/zinc/24/44/43/1119244443.db2.gz NHSPXKXNTUZDHI-LBPRGKRZSA-N 0 1 276.355 3.585 20 0 CHADMN COc1cc(C)cc(CN[C@@H](C)c2cnc(C)s2)c1 ZINC000090724166 1119249365 /nfs/dbraw/zinc/24/93/65/1119249365.db2.gz RJZRYKBJMOANOR-NSHDSACASA-N 0 1 276.405 3.619 20 0 CHADMN CSc1ccc(CN[C@@H]2CCc3ccc(O)cc32)s1 ZINC000657692799 1119250235 /nfs/dbraw/zinc/25/02/35/1119250235.db2.gz DTHPGEFMRDSWHP-CQSZACIVSA-N 0 1 291.441 3.953 20 0 CHADMN Oc1ccc2c(c1)[C@@H](NCc1ccccc1Cl)CC2 ZINC000657692005 1119251149 /nfs/dbraw/zinc/25/11/49/1119251149.db2.gz MJHGYWNJHWGVQD-INIZCTEOSA-N 0 1 273.763 3.823 20 0 CHADMN CCc1ccc([C@@H](CO)N[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000090844482 1119251506 /nfs/dbraw/zinc/25/15/06/1119251506.db2.gz IFUDNJLMCVQYLH-RTBURBONSA-N 0 1 299.389 3.699 20 0 CHADMN C[C@@H](NCc1cccc(Br)c1)c1cncs1 ZINC000120858271 1119251813 /nfs/dbraw/zinc/25/18/13/1119251813.db2.gz YOQJXKAUMZBAIV-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnc(C)s1)c1c(C)noc1C ZINC000090887641 1119254370 /nfs/dbraw/zinc/25/43/70/1119254370.db2.gz SSCNUHBZDADIBJ-UFBFGSQYSA-N 0 1 279.409 3.858 20 0 CHADMN C[C@H](NCc1cnc(N(C)C)s1)c1ccccc1Cl ZINC000078819111 1119255153 /nfs/dbraw/zinc/25/51/53/1119255153.db2.gz NWVUJWCZBZLJJR-JTQLQIEISA-N 0 1 295.839 3.713 20 0 CHADMN Cc1cccc([C@H](C)N2CCC3(C2)Oc2ccccc2O3)c1 ZINC000685054080 1119259344 /nfs/dbraw/zinc/25/93/44/1119259344.db2.gz NXTWVTQCXFVLFF-HNNXBMFYSA-N 0 1 295.382 3.929 20 0 CHADMN Cc1nc(CN2C[C@H](c3ccc(F)cc3)C[C@@H]2C)[nH]c1C ZINC000628181305 1119260719 /nfs/dbraw/zinc/26/07/19/1119260719.db2.gz XVLFPXIGMVJHAW-XHDPSFHLSA-N 0 1 287.382 3.544 20 0 CHADMN Cc1nc(CN2CC[C@H](C)C3(CCCCC3)C2)[nH]c1C ZINC000628239503 1128833214 /nfs/dbraw/zinc/83/32/14/1128833214.db2.gz UHZSMNBLAXRODF-ZDUSSCGKSA-N 0 1 275.440 3.819 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@@H]2c2cccc(C)c2C)n1 ZINC000628182875 1119265167 /nfs/dbraw/zinc/26/51/67/1119265167.db2.gz KHBHJRPJGMETAK-MRXNPFEDSA-N 0 1 269.392 3.672 20 0 CHADMN CC[C@@H](C)[N@@H+](Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC000387391396 1128833626 /nfs/dbraw/zinc/83/36/26/1128833626.db2.gz OZTLQSDIVCMBGH-OAHLLOKOSA-N 0 1 279.387 3.754 20 0 CHADMN CCCc1ccc(CNCc2c(C3CCC3)cnn2C)cc1 ZINC000657718705 1119275254 /nfs/dbraw/zinc/27/52/54/1119275254.db2.gz PGTHOAFJYAGSEN-UHFFFAOYSA-N 0 1 297.446 3.930 20 0 CHADMN CN(C)[C@@H](CNc1ncc(Cl)cc1F)c1ccsc1 ZINC000079295312 1119276808 /nfs/dbraw/zinc/27/68/08/1119276808.db2.gz OJBOVDJNCKHFPF-LBPRGKRZSA-N 0 1 299.802 3.650 20 0 CHADMN CCOc1cccc(CN[C@H]2CCCc3cccnc32)c1 ZINC000091661076 1119278507 /nfs/dbraw/zinc/27/85/07/1119278507.db2.gz UQIGUXWFNSTHCL-KRWDZBQOSA-N 0 1 282.387 3.648 20 0 CHADMN Cc1nc(CN2CC[C@@H](C)C3(CCCCC3)C2)[nH]c1C ZINC000628239502 1128834474 /nfs/dbraw/zinc/83/44/74/1128834474.db2.gz UHZSMNBLAXRODF-CYBMUJFWSA-N 0 1 275.440 3.819 20 0 CHADMN CCOC1CCN(Cc2cc(C)ccc2OC(F)F)CC1 ZINC000091679398 1119281230 /nfs/dbraw/zinc/28/12/30/1119281230.db2.gz UFUIZKZIMHYYGC-UHFFFAOYSA-N 0 1 299.361 3.597 20 0 CHADMN Cn1ccc(CNCc2ccc(-c3ccccc3)o2)c1 ZINC000343040139 1119287643 /nfs/dbraw/zinc/28/76/43/1119287643.db2.gz OHYIOXYXCWWRBD-UHFFFAOYSA-N 0 1 266.344 3.575 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)CCc3ccccc3F)ccc12 ZINC000091826490 1119288263 /nfs/dbraw/zinc/28/82/63/1119288263.db2.gz LRUINWLUCIBJMJ-UHFFFAOYSA-N 0 1 297.333 3.582 20 0 CHADMN COc1c(C)cnc(CNCc2cccc(Cl)c2)c1C ZINC000050871790 1119295622 /nfs/dbraw/zinc/29/56/22/1119295622.db2.gz UYEFRACZHAXVNX-UHFFFAOYSA-N 0 1 290.794 3.650 20 0 CHADMN Cc1ncc(CN[C@@H]2CC(C)(C)Cc3occc32)s1 ZINC000123677338 1119300564 /nfs/dbraw/zinc/30/05/64/1119300564.db2.gz ALJBBXVGVFKKGA-CYBMUJFWSA-N 0 1 276.405 3.848 20 0 CHADMN Cc1ccc(CN2CC[C@H](C)C[C@@H]2c2ccco2)nc1 ZINC000154182028 1119304819 /nfs/dbraw/zinc/30/48/19/1119304819.db2.gz YUJAIMLRASNLRK-XJKSGUPXSA-N 0 1 270.376 3.956 20 0 CHADMN CC[C@H](N[C@H](C)c1noc(-c2ccccc2)n1)C1CC1 ZINC000124485223 1119315468 /nfs/dbraw/zinc/31/54/68/1119315468.db2.gz YCAMRYKTPVTXJV-RISCZKNCSA-N 0 1 271.364 3.576 20 0 CHADMN C[C@H](NCc1cccnc1N(C)C)c1ccc(Cl)s1 ZINC000154740619 1119318669 /nfs/dbraw/zinc/31/86/69/1119318669.db2.gz LJLHRCYLZONEGX-JTQLQIEISA-N 0 1 295.839 3.713 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc(-n2cccn2)c1)c1ccco1 ZINC000154859160 1119320594 /nfs/dbraw/zinc/32/05/94/1119320594.db2.gz YAHCWYWJPGIQSA-KBPBESRZSA-N 0 1 281.359 3.877 20 0 CHADMN CC1(C)C[C@@H](CN2Cc3cccc(Cl)c3C2)CCO1 ZINC001207362111 1119322205 /nfs/dbraw/zinc/32/22/05/1119322205.db2.gz FUVPJNOPHFOAGT-LBPRGKRZSA-N 0 1 279.811 3.861 20 0 CHADMN CCCCc1noc([C@H](C)N[C@@H]2CCC[C@@H](C)[C@H]2C)n1 ZINC000248159068 1119323779 /nfs/dbraw/zinc/32/37/79/1119323779.db2.gz FRECQAOOVDZWCB-YIYPIFLZSA-N 0 1 279.428 3.888 20 0 CHADMN CCOCCN1CCC[C@@H]1c1ccc(Br)cc1 ZINC000079943264 1119324789 /nfs/dbraw/zinc/32/47/89/1119324789.db2.gz AKZOEUWBNMMZCQ-CQSZACIVSA-N 0 1 298.224 3.623 20 0 CHADMN CCc1ccc(CN(C)[C@H](C)c2ccncc2)s1 ZINC000583291319 1119336810 /nfs/dbraw/zinc/33/68/10/1119336810.db2.gz IMDYEDKIWOMYGJ-GFCCVEGCSA-N 0 1 260.406 3.899 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647286316 1119340570 /nfs/dbraw/zinc/34/05/70/1119340570.db2.gz KOUHLCRLHVRIBI-KSSFIOAISA-N 0 1 295.430 3.866 20 0 CHADMN Cc1oc([C@H](C)[N@H+]2CCCc3ccccc3C2)cc1C(=O)[O-] ZINC000583327686 1119340872 /nfs/dbraw/zinc/34/08/72/1119340872.db2.gz YRFUBKUQJMRQAE-LBPRGKRZSA-N 0 1 299.370 3.796 20 0 CHADMN Cc1cnc(CN[C@H](C)CC(C)(C)c2ccccc2)o1 ZINC000231787883 1119342471 /nfs/dbraw/zinc/34/24/71/1119342471.db2.gz FEWLPDGYDQAFDF-CYBMUJFWSA-N 0 1 272.392 3.829 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2csc(-c3ccoc3)n2)C1 ZINC000525410354 1119344145 /nfs/dbraw/zinc/34/41/45/1119344145.db2.gz FOPDAKBJQOTDQT-MNOVXSKESA-N 0 1 262.378 3.633 20 0 CHADMN COc1cc(Nc2ccc(-c3ncc[nH]3)cc2)ncc1C ZINC001213088032 1119345070 /nfs/dbraw/zinc/34/50/70/1119345070.db2.gz MEHUXZCNILSDCM-UHFFFAOYSA-N 0 1 280.331 3.532 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@H](C)c1c(C)noc1C)CC2 ZINC000092837943 1119351015 /nfs/dbraw/zinc/35/10/15/1119351015.db2.gz KWJLZPPZVHUFOZ-QLJPJBMISA-N 0 1 286.375 3.638 20 0 CHADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1CC1CCC1 ZINC000743848945 1119352015 /nfs/dbraw/zinc/35/20/15/1119352015.db2.gz DXJHHKNIODBIPF-JKIFEVAISA-N 0 1 259.393 3.637 20 0 CHADMN Cc1ccccc1[C@H](N[C@H](C)c1cnccn1)C(C)C ZINC000163077737 1119363553 /nfs/dbraw/zinc/36/35/53/1119363553.db2.gz IBFYQFJOYKRPDS-RHSMWYFYSA-N 0 1 269.392 3.833 20 0 CHADMN CC(C)Oc1cccc(-n2c(N)nc3ccccc32)c1F ZINC001212317830 1128840797 /nfs/dbraw/zinc/84/07/97/1128840797.db2.gz FSGNHIPMLMGZSE-UHFFFAOYSA-N 0 1 285.322 3.534 20 0 CHADMN COc1cc(C)ccc1CNCc1ccc(C)c(F)c1 ZINC000151003636 1119364813 /nfs/dbraw/zinc/36/48/13/1119364813.db2.gz MJPWHDLOKUZHMY-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN CO[C@H](CNCc1ncc(C(C)(C)C)s1)C1CCCC1 ZINC000657766940 1119370206 /nfs/dbraw/zinc/37/02/06/1119370206.db2.gz GGOGYYXFOVLIFS-CYBMUJFWSA-N 0 1 296.480 3.735 20 0 CHADMN c1cc2cc(CN(Cc3cccnc3)C3CC3)ccc2[nH]1 ZINC000628280799 1128841384 /nfs/dbraw/zinc/84/13/84/1128841384.db2.gz IWMIAZPERCOTHS-UHFFFAOYSA-N 0 1 277.371 3.728 20 0 CHADMN Cc1cc(N)cc2cnn(-c3ccnc(C(C)(C)C)c3)c21 ZINC001213170749 1119378142 /nfs/dbraw/zinc/37/81/42/1119378142.db2.gz OQJPGRSHEPFATQ-UHFFFAOYSA-N 0 1 280.375 3.609 20 0 CHADMN C/C(=C\c1ccccc1)C[N@H+](C)Cc1cccnc1C ZINC000583593232 1119382069 /nfs/dbraw/zinc/38/20/69/1119382069.db2.gz QPZLANMRBOSJMW-NTCAYCPXSA-N 0 1 266.388 3.925 20 0 CHADMN Cc1cccc([C@H](N[C@@H](C)CC(C)(C)O)c2ccccn2)c1 ZINC000926512780 1119382221 /nfs/dbraw/zinc/38/22/21/1119382221.db2.gz ODABKRIWPALKIW-YJBOKZPZSA-N 0 1 298.430 3.619 20 0 CHADMN CC[C@@H]1CC[C@@H](C)[N@H+]1CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000583635971 1119387420 /nfs/dbraw/zinc/38/74/20/1119387420.db2.gz CLWCUIKWFUDEEW-FVQBIDKESA-N 0 1 275.392 3.508 20 0 CHADMN Cc1cc(C)cc(C2=CC[N@@H+](CCCCC(=O)[O-])CC2)c1 ZINC000583636309 1119387670 /nfs/dbraw/zinc/38/76/70/1119387670.db2.gz QUNNWTNXOQUFCD-UHFFFAOYSA-N 0 1 287.403 3.647 20 0 CHADMN COc1cccc(C2(NCc3cncn3C(C)C)CCC2)c1 ZINC000657778684 1119389068 /nfs/dbraw/zinc/38/90/68/1119389068.db2.gz LIZMMYZEMWCDTL-UHFFFAOYSA-N 0 1 299.418 3.642 20 0 CHADMN CC(C)[C@@H]1N(Cc2cnc(C3CC3)o2)CC12CCC2 ZINC000628290890 1128843443 /nfs/dbraw/zinc/84/34/43/1128843443.db2.gz BNLBZBZQAMTDKI-AWEZNQCLSA-N 0 1 260.381 3.563 20 0 CHADMN CC1(C)[C@@H](C(F)(F)F)CCN1Cc1cccc(F)c1N ZINC000380214074 1128843593 /nfs/dbraw/zinc/84/35/93/1128843593.db2.gz IGIHGFCBALAKQM-NSHDSACASA-N 0 1 290.304 3.571 20 0 CHADMN C/C(=C\c1ccccc1)CN1CCOc2cc(O)ccc2C1 ZINC000583720615 1119401918 /nfs/dbraw/zinc/40/19/18/1119401918.db2.gz QBLMGBUUNMNAJW-RVDMUPIBSA-N 0 1 295.382 3.690 20 0 CHADMN CC1(C)CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)CC1 ZINC000536123114 1119409385 /nfs/dbraw/zinc/40/93/85/1119409385.db2.gz BIMIPGNKVLRWDE-UHFFFAOYSA-N 0 1 289.423 3.720 20 0 CHADMN c1nc(C2CC2)oc1CN1CCC[C@H]1COc1ccccc1 ZINC000628298439 1128844199 /nfs/dbraw/zinc/84/41/99/1128844199.db2.gz FQNDNAWDASHHLA-HNNXBMFYSA-N 0 1 298.386 3.595 20 0 CHADMN Cc1ccc(C)c([C@@H](C)OC(=O)C23CCCN2CCC3)c1 ZINC001267301262 1119417808 /nfs/dbraw/zinc/41/78/08/1119417808.db2.gz SHJHEBZXCBXZRJ-OAHLLOKOSA-N 0 1 287.403 3.536 20 0 CHADMN CC(C)(C)c1nc(CNC[C@@H]2CCCCS2)cs1 ZINC000168140539 1119420313 /nfs/dbraw/zinc/42/03/13/1119420313.db2.gz UPYLKUBBPCVJRN-LBPRGKRZSA-N 0 1 284.494 3.816 20 0 CHADMN COc1cccc(CNCc2cc(F)c(F)c(F)c2)c1C ZINC000657804426 1119430672 /nfs/dbraw/zinc/43/06/72/1119430672.db2.gz JVWAMVJHRGEBKP-UHFFFAOYSA-N 0 1 295.304 3.711 20 0 CHADMN Cc1cscc1NC(=O)c1cn[nH]c1-c1ccccc1 ZINC000151193538 1119431868 /nfs/dbraw/zinc/43/18/68/1119431868.db2.gz QFWWCUFDBKDCHU-UHFFFAOYSA-N 0 1 283.356 3.699 20 0 CHADMN O=C(c1cccc2[nH]cnc21)N1CCCC2(CCCC2)CC1 ZINC000617564415 1128845720 /nfs/dbraw/zinc/84/57/20/1128845720.db2.gz QMVKYSLYLHWERN-UHFFFAOYSA-N 0 1 297.402 3.749 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccc(C)o1)c1c(C)nn(C)c1C ZINC000158198908 1119436113 /nfs/dbraw/zinc/43/61/13/1119436113.db2.gz YWNDBUZLNDIATI-BXUZGUMPSA-N 0 1 275.396 3.740 20 0 CHADMN COc1c(C)cc([C@@H](C)N[C@@H](C)c2cn[nH]c2)cc1Cl ZINC000796848610 1119438456 /nfs/dbraw/zinc/43/84/56/1119438456.db2.gz YMQSPXRVHIYXKQ-MNOVXSKESA-N 0 1 293.798 3.792 20 0 CHADMN Cc1ccccc1C1(N[C@@H](C)c2ccccn2)CC1 ZINC000647315887 1119440416 /nfs/dbraw/zinc/44/04/16/1119440416.db2.gz DZJKEAFVGIORGM-AWEZNQCLSA-N 0 1 252.361 3.730 20 0 CHADMN CCn1cc([C@@H](C)NC2(c3ccccc3C)CC2)cn1 ZINC000647316289 1119440877 /nfs/dbraw/zinc/44/08/77/1119440877.db2.gz ZHPGUTRKIVZEHH-CQSZACIVSA-N 0 1 269.392 3.551 20 0 CHADMN CC(C)c1nc([C@H](C)NC(=O)C(C)(C)CC(C)(C)C)n[nH]1 ZINC000935145349 1119442092 /nfs/dbraw/zinc/44/20/92/1119442092.db2.gz HRAFOVKGWJTFLD-NSHDSACASA-N 0 1 294.443 3.568 20 0 CHADMN CC[C@H]1CCCN1Cc1nc2c(cccc2F)n1CC ZINC000343577513 1119461072 /nfs/dbraw/zinc/46/10/72/1119461072.db2.gz JBBAQNPHIMQAKL-LBPRGKRZSA-N 0 1 275.371 3.570 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@H](CC)C(C)(C)C)n1 ZINC000343588051 1119464274 /nfs/dbraw/zinc/46/42/74/1119464274.db2.gz HLEZBQNXIOOBLR-GHMZBOCLSA-N 0 1 285.457 3.798 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000343595322 1119466347 /nfs/dbraw/zinc/46/63/47/1119466347.db2.gz AIILJYPCUXBNHQ-DGCLKSJQSA-N 0 1 289.345 3.545 20 0 CHADMN CCOC(=O)CCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000343600405 1119466636 /nfs/dbraw/zinc/46/66/36/1119466636.db2.gz GBJKJDROEIEVEG-MRXNPFEDSA-N 0 1 293.382 3.696 20 0 CHADMN O=C(c1cccc2[nH]cnc21)N1CCC[C@@H]1c1ccccc1 ZINC000158735551 1119468718 /nfs/dbraw/zinc/46/87/18/1119468718.db2.gz MDIFUFWXCPEFOJ-MRXNPFEDSA-N 0 1 291.354 3.540 20 0 CHADMN C[C@@H]1c2ccccc2CN1CCCC(=O)OC(C)(C)C ZINC000343605837 1119469485 /nfs/dbraw/zinc/46/94/85/1119469485.db2.gz JCXMMHBRZOIDAH-CYBMUJFWSA-N 0 1 275.392 3.685 20 0 CHADMN Fc1ccc2c(c1)nccc2NCc1cnn2ccccc12 ZINC000343622140 1119473586 /nfs/dbraw/zinc/47/35/86/1119473586.db2.gz FZKPFQVREAMXTA-UHFFFAOYSA-N 0 1 292.317 3.634 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(C)c(C)c1 ZINC000158863059 1119474270 /nfs/dbraw/zinc/47/42/70/1119474270.db2.gz HGLWNUWLSFWQFH-UHFFFAOYSA-N 0 1 271.364 3.711 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000650794597 1119475979 /nfs/dbraw/zinc/47/59/79/1119475979.db2.gz BOCXXRPOTADIHG-IPYPFGDCSA-N 0 1 267.413 3.530 20 0 CHADMN CCSCCNc1ccc(Cl)c(CN(C)C)c1 ZINC000343659571 1119481733 /nfs/dbraw/zinc/48/17/33/1119481733.db2.gz NJPNQSQANOJLTE-UHFFFAOYSA-N 0 1 272.845 3.567 20 0 CHADMN C[C@@H]1C[C@@H](N[C@@H](CO)c2cccc(F)c2)c2ccccc21 ZINC000343660943 1119481861 /nfs/dbraw/zinc/48/18/61/1119481861.db2.gz AKLIZYUYMCUDIZ-PJSAGSTRSA-N 0 1 285.362 3.697 20 0 CHADMN Cc1ccnc(NCc2cnc3ccccc3n2)c1C1CC1 ZINC000628337904 1128849082 /nfs/dbraw/zinc/84/90/82/1128849082.db2.gz UQAYLKSIMRFZEX-UHFFFAOYSA-N 0 1 290.370 3.823 20 0 CHADMN CSCCCN(C)Cc1c(F)cccc1N1CCCC1 ZINC000343670959 1119484424 /nfs/dbraw/zinc/48/44/24/1119484424.db2.gz DMDLGUMSKQYYHQ-UHFFFAOYSA-N 0 1 296.455 3.611 20 0 CHADMN CC[C@H](NCc1cnc(OC)s1)c1ccc(C)cc1 ZINC000311421279 1119492589 /nfs/dbraw/zinc/49/25/89/1119492589.db2.gz AOJOHDYUMXTCIW-AWEZNQCLSA-N 0 1 276.405 3.701 20 0 CHADMN COc1cc(CN2CC[C@@H]3C[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000628349364 1128849694 /nfs/dbraw/zinc/84/96/94/1128849694.db2.gz HAKKWLJIFUQRHN-VXGBXAGGSA-N 0 1 285.309 3.556 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2c2cccc(C)c2C)[nH]c1C ZINC000628183075 1119493832 /nfs/dbraw/zinc/49/38/32/1119493832.db2.gz PUTHFUKVFNOFLA-QGZVFWFLSA-N 0 1 283.419 3.980 20 0 CHADMN Cc1scc(-c2nc(C3(N)CCCCC3)no2)c1C ZINC000335653233 1119498797 /nfs/dbraw/zinc/49/87/97/1119498797.db2.gz ZJXHQEQUIZCEGY-UHFFFAOYSA-N 0 1 277.393 3.533 20 0 CHADMN CC(C)=CCN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076182186 1119498838 /nfs/dbraw/zinc/49/88/38/1119498838.db2.gz BGVJOCVSKDVDKQ-RKDXNWHRSA-N 0 1 275.236 3.625 20 0 CHADMN C[C@H](NC1(c2cccc(F)c2)CCC1)c1cccnc1 ZINC000647330176 1119509058 /nfs/dbraw/zinc/50/90/58/1119509058.db2.gz DSHHDTBXZWZMFM-ZDUSSCGKSA-N 0 1 270.351 3.951 20 0 CHADMN Cc1nocc1CN(C)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000353569629 1119509684 /nfs/dbraw/zinc/50/96/84/1119509684.db2.gz OJHDNXOZMWQVLT-VXGBXAGGSA-N 0 1 276.302 3.536 20 0 CHADMN CCc1noc([C@H](C)[N@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)n1 ZINC000472318877 1119514687 /nfs/dbraw/zinc/51/46/87/1119514687.db2.gz ZFUZBDJSYGPHNY-DZKIICNBSA-N 0 1 299.418 3.646 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)n1 ZINC000472318877 1119514690 /nfs/dbraw/zinc/51/46/90/1119514690.db2.gz ZFUZBDJSYGPHNY-DZKIICNBSA-N 0 1 299.418 3.646 20 0 CHADMN Cc1c2cc(F)ccc2oc1CN[C@H]1CCCn2nccc21 ZINC000657850845 1119514794 /nfs/dbraw/zinc/51/47/94/1119514794.db2.gz XVVSWEXLAYQBEQ-AWEZNQCLSA-N 0 1 299.349 3.702 20 0 CHADMN FC(F)(F)c1cccc(CN2CCC23CCC3)c1 ZINC000081545925 1119516384 /nfs/dbraw/zinc/51/63/84/1119516384.db2.gz VUAMRSSINVNTHD-UHFFFAOYSA-N 0 1 255.283 3.834 20 0 CHADMN C[C@@H]1CCC[C@@H](NCc2noc(-c3ccsc3)n2)[C@H]1C ZINC000248547683 1128851505 /nfs/dbraw/zinc/85/15/05/1128851505.db2.gz GHPGKDQRMILUSM-NTZNESFSSA-N 0 1 291.420 3.712 20 0 CHADMN Clc1cc2c(c(CNCc3cccs3)c1)OCC2 ZINC000136385374 1119524461 /nfs/dbraw/zinc/52/44/61/1119524461.db2.gz FLMGLXGTTCFQAM-UHFFFAOYSA-N 0 1 279.792 3.626 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2CCCc3ccc(F)cc32)c(C)n1 ZINC000089214314 1119537768 /nfs/dbraw/zinc/53/77/68/1119537768.db2.gz QIZHADAGQVWRBA-KZULUSFZSA-N 0 1 299.393 3.961 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H]2CCCc3ccc(F)cc32)c(C)n1 ZINC000089214318 1119538291 /nfs/dbraw/zinc/53/82/91/1119538291.db2.gz QIZHADAGQVWRBA-XIKOKIGWSA-N 0 1 299.393 3.961 20 0 CHADMN C[C@@H](NCc1cccc(OC(F)F)c1)c1ccc(F)cn1 ZINC000089520347 1119541982 /nfs/dbraw/zinc/54/19/82/1119541982.db2.gz MVLYCNYJNFLHKN-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1ccc(F)cn1 ZINC000089552562 1119542383 /nfs/dbraw/zinc/54/23/83/1119542383.db2.gz DVNSQZGLBUCKTE-QLJPJBMISA-N 0 1 274.314 3.698 20 0 CHADMN C[C@H]1CN(Cc2cnc(C3CC3)s2)C[C@H](C)C1(F)F ZINC000628390492 1128853480 /nfs/dbraw/zinc/85/34/80/1128853480.db2.gz IZAVWHBPBACFNN-UWVGGRQHSA-N 0 1 286.391 3.744 20 0 CHADMN CCc1ccc([C@H](CO)N[C@@H](C)c2ccccc2OC)cc1 ZINC000090843733 1119549797 /nfs/dbraw/zinc/54/97/97/1119549797.db2.gz WIGTUYBAAWFFPD-KSSFIOAISA-N 0 1 299.414 3.642 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1nc2ccc(F)cc2o1 ZINC000091097539 1119553674 /nfs/dbraw/zinc/55/36/74/1119553674.db2.gz RMTSVANRTGKRHQ-NSHDSACASA-N 0 1 282.384 3.540 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnn(C)c1)c1cc(C)ccc1OC ZINC000091727867 1119558603 /nfs/dbraw/zinc/55/86/03/1119558603.db2.gz SXLGGDXZAYHSSQ-XJKSGUPXSA-N 0 1 287.407 3.539 20 0 CHADMN CC[C@H](N[C@H](CO)c1ccccc1)c1cc(C)ccc1OC ZINC000091725471 1119558923 /nfs/dbraw/zinc/55/89/23/1119558923.db2.gz ZKZAEDXQJRVMJD-ZWKOTPCHSA-N 0 1 299.414 3.778 20 0 CHADMN CCOCc1ccc(CN[C@@H](C)c2ccc(F)cn2)cc1 ZINC000092738623 1119565252 /nfs/dbraw/zinc/56/52/52/1119565252.db2.gz CKTKAIHHDWHMRZ-ZDUSSCGKSA-N 0 1 288.366 3.608 20 0 CHADMN Cc1noc(C)c1CN[C@H]1CCCc2ccc(F)cc21 ZINC000093116380 1119569500 /nfs/dbraw/zinc/56/95/00/1119569500.db2.gz DOIFABJFCMDURX-INIZCTEOSA-N 0 1 274.339 3.598 20 0 CHADMN CC(C)[C@@H](c1ccccc1Cl)N(C)Cc1cnc[nH]1 ZINC000093422425 1119574427 /nfs/dbraw/zinc/57/44/27/1119574427.db2.gz KURIDHRGUHCRDJ-HNNXBMFYSA-N 0 1 277.799 3.892 20 0 CHADMN C[C@@H](N[C@@H]1CCc2c1cccc2O)c1cc2cnccc2o1 ZINC000657870444 1119580016 /nfs/dbraw/zinc/58/00/16/1119580016.db2.gz DMSXUXJPIUNECZ-IAQYHMDHSA-N 0 1 294.354 3.872 20 0 CHADMN Cc1ccc(CN(Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000141794362 1119581598 /nfs/dbraw/zinc/58/15/98/1119581598.db2.gz SGIIJBVRTPQTNG-GOSISDBHSA-N 0 1 285.387 3.769 20 0 CHADMN Cc1cc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)cc(C(F)(F)F)c1 ZINC001143456968 1119591215 /nfs/dbraw/zinc/59/12/15/1119591215.db2.gz DEOMIGCSKVCYPW-UBHSHLNASA-N 0 1 287.300 3.946 20 0 CHADMN Cc1nc(C)c(CN[C@@H](C)c2cc3cnccc3o2)s1 ZINC000657887246 1119598726 /nfs/dbraw/zinc/59/87/26/1119598726.db2.gz GIVYVOPWCKYVHA-VIFPVBQESA-N 0 1 287.388 3.752 20 0 CHADMN OCC[C@H](N[C@@H]1CCc2ccccc21)c1ccccc1F ZINC000647346571 1119598822 /nfs/dbraw/zinc/59/88/22/1119598822.db2.gz XWBHUFLTQINVNL-MSOLQXFVSA-N 0 1 285.362 3.526 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1NC1CSC1 ZINC000685439150 1119608549 /nfs/dbraw/zinc/60/85/49/1119608549.db2.gz KVUQZBLDWQZDRS-UHFFFAOYSA-N 0 1 276.449 3.903 20 0 CHADMN COc1ccc(-c2cc(CNCc3ccccc3)on2)cc1 ZINC000685488919 1119614898 /nfs/dbraw/zinc/61/48/98/1119614898.db2.gz TYVZOFJSGWAXTR-UHFFFAOYSA-N 0 1 294.354 3.640 20 0 CHADMN Brc1cccnc1CN1CCC2(CCCC2)C1 ZINC000382413947 1119615399 /nfs/dbraw/zinc/61/53/99/1119615399.db2.gz KIRCAVQYFQVJFI-UHFFFAOYSA-N 0 1 295.224 3.610 20 0 CHADMN O=C(CC1CCCCCC1)Nc1ccc2nc[nH]c2c1 ZINC000511300225 1119622482 /nfs/dbraw/zinc/62/24/82/1119622482.db2.gz KNGWXGQDSYVHHP-UHFFFAOYSA-N 0 1 271.364 3.862 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000685612095 1119638058 /nfs/dbraw/zinc/63/80/58/1119638058.db2.gz FLQLXVQZOUERNC-OAHLLOKOSA-N 0 1 275.783 3.612 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(-c2nc(C)c(C)o2)cc1 ZINC000685618949 1119639154 /nfs/dbraw/zinc/63/91/54/1119639154.db2.gz CDJPABJIOGXLLV-UHFFFAOYSA-N 0 1 282.347 3.602 20 0 CHADMN CCN(c1ccc(N[C@H](C)c2ncc[nH]2)cc1)C(C)C ZINC000286137722 1119640551 /nfs/dbraw/zinc/64/05/51/1119640551.db2.gz OHGLRIMCFMNIII-CYBMUJFWSA-N 0 1 272.396 3.818 20 0 CHADMN Fc1cc(F)c(F)c(CN[C@@H]2CCCC23CC3)c1F ZINC000657923738 1119642443 /nfs/dbraw/zinc/64/24/43/1119642443.db2.gz HOISDQNUXTWIMN-LLVKDONJSA-N 0 1 273.273 3.665 20 0 CHADMN Cc1cc([C@H](C)NCCc2ccc(C(F)(F)F)cc2)no1 ZINC000685643880 1119643035 /nfs/dbraw/zinc/64/30/35/1119643035.db2.gz VLZIKVQVTDMQBO-NSHDSACASA-N 0 1 298.308 3.895 20 0 CHADMN C[C@H](NCc1ccc2c(c1)COC2)c1cc2cnccc2o1 ZINC000657927120 1119643739 /nfs/dbraw/zinc/64/37/39/1119643739.db2.gz IUROLLNYNOPTPA-LBPRGKRZSA-N 0 1 294.354 3.709 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N1CC3(C1)CC(F)(F)C3)CCC2 ZINC000677735607 1119643881 /nfs/dbraw/zinc/64/38/81/1119643881.db2.gz FCVAJVITCSXVRD-AWEZNQCLSA-N 0 1 281.321 3.934 20 0 CHADMN CC[C@@H](CN[C@@H](C)c1cc(C)on1)Oc1ccccc1C ZINC000685650391 1119644548 /nfs/dbraw/zinc/64/45/48/1119644548.db2.gz XHCAPCUIVFUHCL-GJZGRUSLSA-N 0 1 288.391 3.800 20 0 CHADMN COc1cc(CN[C@@H](C)c2cc(C)cc(C)c2)sn1 ZINC000399069416 1119644619 /nfs/dbraw/zinc/64/46/19/1119644619.db2.gz RIKVYHCPMNTGKH-LBPRGKRZSA-N 0 1 276.405 3.619 20 0 CHADMN COc1cc(CN[C@H](C)c2ccc(Cl)cc2)sn1 ZINC000399196006 1119644880 /nfs/dbraw/zinc/64/48/80/1119644880.db2.gz JBRUMMHHANNXSE-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN C[C@@H](C[N@@H+](CCC(=O)[O-])Cc1ccccc1)C(C)(C)C ZINC000692447132 1119652445 /nfs/dbraw/zinc/65/24/45/1119652445.db2.gz YYBULFKUCGWPBC-AWEZNQCLSA-N 0 1 277.408 3.646 20 0 CHADMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1cnc(C)o1 ZINC000628234488 1119663743 /nfs/dbraw/zinc/66/37/43/1119663743.db2.gz CHNFDFGTLHIHTP-ZUZCIYMTSA-N 0 1 294.782 3.502 20 0 CHADMN CN(Cc1scnc1C1CC1)C1CC(OC(C)(C)C)C1 ZINC000421372788 1119664504 /nfs/dbraw/zinc/66/45/04/1119664504.db2.gz MQUYWNKQRSAQQN-UHFFFAOYSA-N 0 1 294.464 3.798 20 0 CHADMN C[N@@H+](Cc1scnc1C1CC1)C1CC(OC(C)(C)C)C1 ZINC000421372788 1119664501 /nfs/dbraw/zinc/66/45/01/1119664501.db2.gz MQUYWNKQRSAQQN-UHFFFAOYSA-N 0 1 294.464 3.798 20 0 CHADMN CC[C@@H](COCC1CC1)N[C@@H](C)c1nc(C)sc1C ZINC000658092157 1119680995 /nfs/dbraw/zinc/68/09/95/1119680995.db2.gz XVEKBZKZOCAKIL-HZMBPMFUSA-N 0 1 282.453 3.616 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccnc2N2CCCC2)cc1 ZINC000658102641 1119685434 /nfs/dbraw/zinc/68/54/34/1119685434.db2.gz ZMCVUETUCQWCMX-MRXNPFEDSA-N 0 1 295.430 3.841 20 0 CHADMN COc1cccc(OC)c1CN[C@@H]1c2ccccc2C[C@H]1C ZINC000658118460 1119688077 /nfs/dbraw/zinc/68/80/77/1119688077.db2.gz FZGSPFVXEZZLLI-YJYMSZOUSA-N 0 1 297.398 3.727 20 0 CHADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc2ccccc2c1 ZINC000235364494 1119688522 /nfs/dbraw/zinc/68/85/22/1119688522.db2.gz UEGHOJKEUHUHCR-CXAGYDPISA-N 0 1 283.371 3.525 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccccc1F ZINC000658167238 1119695168 /nfs/dbraw/zinc/69/51/68/1119695168.db2.gz NYRUCVPOVJTBPU-BLLLJJGKSA-N 0 1 275.371 3.607 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1F ZINC000658169055 1119695770 /nfs/dbraw/zinc/69/57/70/1119695770.db2.gz YKBJTADWRWUDFA-NHYWBVRUSA-N 0 1 261.344 3.597 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1c(C2CC2)cnn1C ZINC000658212862 1119702012 /nfs/dbraw/zinc/70/20/12/1119702012.db2.gz KKWDKIANVHDWTD-ZDUSSCGKSA-N 0 1 299.418 3.547 20 0 CHADMN COCc1csc(CN[C@H](C)c2cnc(C)s2)c1 ZINC000658210080 1119702456 /nfs/dbraw/zinc/70/24/56/1119702456.db2.gz NVGCKEGVHUJJKJ-SECBINFHSA-N 0 1 282.434 3.510 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@@]2(C)CC2(F)F)cs1 ZINC000658218253 1119703373 /nfs/dbraw/zinc/70/33/73/1119703373.db2.gz IVUZBFIGKOFOFB-BXKDBHETSA-N 0 1 274.380 3.962 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@H]2CCc3ccc(O)cc32)cn1 ZINC000658242248 1119711246 /nfs/dbraw/zinc/71/12/46/1119711246.db2.gz YNJAHCAYJLKTJG-PXAZEXFGSA-N 0 1 285.391 3.508 20 0 CHADMN COc1ccc([C@H](NCC2=CCCC2)c2ccccn2)cc1 ZINC000658291916 1119718748 /nfs/dbraw/zinc/71/87/48/1119718748.db2.gz WUTIJOYFCZTBIV-IBGZPJMESA-N 0 1 294.398 3.880 20 0 CHADMN CC1(C)OCC[C@@H]1CN[C@@H](CCc1ccccc1)C(F)F ZINC000658333492 1119725495 /nfs/dbraw/zinc/72/54/95/1119725495.db2.gz YACXTNIOOQBQQX-CABCVRRESA-N 0 1 297.389 3.658 20 0 CHADMN CC[C@@H](N[C@H](C)c1nccn1C)c1cccc(C)c1 ZINC000658338897 1119727382 /nfs/dbraw/zinc/72/73/82/1119727382.db2.gz MQCXPXOCUIMWNQ-UKRRQHHQSA-N 0 1 257.381 3.530 20 0 CHADMN Cc1ccc([C@H](N[C@@H](C)c2nccn2C)C2CCC2)cc1 ZINC000658337213 1119726791 /nfs/dbraw/zinc/72/67/91/1119726791.db2.gz SZJKGXVZZQXAHE-WMLDXEAASA-N 0 1 283.419 3.921 20 0 CHADMN FC(F)(F)Cc1ncc(CNCc2ccccc2)s1 ZINC000892432635 1119727120 /nfs/dbraw/zinc/72/71/20/1119727120.db2.gz NVIRTNADCWZLOY-UHFFFAOYSA-N 0 1 286.322 3.538 20 0 CHADMN CC(C)[C@H]1C[C@H](N[C@@H](C)c2nccn2C)c2ccccc21 ZINC000658339442 1119728159 /nfs/dbraw/zinc/72/81/59/1119728159.db2.gz SCFBVKOBUYVORJ-XKQJLSEDSA-N 0 1 283.419 3.955 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](c2ccccc2)[C@@H](C)O)o1 ZINC000658363491 1119731912 /nfs/dbraw/zinc/73/19/12/1119731912.db2.gz WARAQYNEVHHEMH-AHIWAGSCSA-N 0 1 273.376 3.615 20 0 CHADMN COc1cccc(Cl)c1CN1CCCC(F)(F)CC1 ZINC001140725606 1119735944 /nfs/dbraw/zinc/73/59/44/1119735944.db2.gz DQMFYKFHCPOHJS-UHFFFAOYSA-N 0 1 289.753 3.970 20 0 CHADMN Fc1ccccc1CN1CC(Cc2cccs2)C1 ZINC000628478566 1128865633 /nfs/dbraw/zinc/86/56/33/1128865633.db2.gz HYIIRFXXCSKCRP-UHFFFAOYSA-N 0 1 261.365 3.562 20 0 CHADMN CCCOc1ccc(CNCc2cc(C)ns2)cc1 ZINC000404413736 1119752651 /nfs/dbraw/zinc/75/26/51/1119752651.db2.gz ZODVWMRJNQJXFW-UHFFFAOYSA-N 0 1 276.405 3.530 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cccc(Br)n2)C1 ZINC000310511007 1119754060 /nfs/dbraw/zinc/75/40/60/1119754060.db2.gz LNFJNOQNPGTFHP-IJLUTSLNSA-N 0 1 297.240 3.711 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H]1C[C@H](C)c2ccccc21 ZINC000343811164 1119756160 /nfs/dbraw/zinc/75/61/60/1119756160.db2.gz AKHXVNSCSNAJOW-DCGLDWPTSA-N 0 1 282.387 3.989 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(C)c(F)c2)sn1 ZINC000404500093 1119756673 /nfs/dbraw/zinc/75/66/73/1119756673.db2.gz WISRQIIODYBGPK-LLVKDONJSA-N 0 1 264.369 3.750 20 0 CHADMN Cc1nc(C)c(CNCc2ccc(C3CCC3)cc2)o1 ZINC000628252185 1119762151 /nfs/dbraw/zinc/76/21/51/1119762151.db2.gz KNMNKIBYAOGSFE-UHFFFAOYSA-N 0 1 270.376 3.849 20 0 CHADMN CC(C)[C@@H](NCc1nccn1C)c1ccc(Cl)cc1 ZINC000051922009 1119763839 /nfs/dbraw/zinc/76/38/39/1119763839.db2.gz OSGGZBXJCDTUTF-OAHLLOKOSA-N 0 1 277.799 3.560 20 0 CHADMN CCn1ccnc1CN[C@H](c1cccs1)C1CCCC1 ZINC000051923138 1119764314 /nfs/dbraw/zinc/76/43/14/1119764314.db2.gz NYXIHKQLRASIEG-INIZCTEOSA-N 0 1 289.448 3.986 20 0 CHADMN Cc1nn(C)c(CN[C@H](c2cccs2)C2CC2)c1Cl ZINC000892488902 1119778541 /nfs/dbraw/zinc/77/85/41/1119778541.db2.gz ZKXPUFDYAWFMDW-AWEZNQCLSA-N 0 1 295.839 3.684 20 0 CHADMN Cc1[nH]ncc1CN(C)C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000636076656 1119812580 /nfs/dbraw/zinc/81/25/80/1119812580.db2.gz FWRKQVBGBTXLDU-OCCSQVGLSA-N 0 1 291.439 3.529 20 0 CHADMN COc1nccc(CN[C@H](C)c2cc(C)sc2C)c1F ZINC000892510410 1119816459 /nfs/dbraw/zinc/81/64/59/1119816459.db2.gz XIUGUTDYLYSDGH-SNVBAGLBSA-N 0 1 294.395 3.758 20 0 CHADMN Fc1cccc2c1OCC[C@H]2N[C@H]1CCCc2occc21 ZINC000376045393 1119817387 /nfs/dbraw/zinc/81/73/87/1119817387.db2.gz NWGDOSJKYVAIAI-LSDHHAIUSA-N 0 1 287.334 3.910 20 0 CHADMN CC[C@H](C(=O)NOC1CCCCC1)c1ccccc1 ZINC000779322350 1128871103 /nfs/dbraw/zinc/87/11/03/1128871103.db2.gz VIXVGZRYEVJVCW-HNNXBMFYSA-N 0 1 261.365 3.561 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[C@@H](CC(C)C)C1 ZINC000154454214 1119823407 /nfs/dbraw/zinc/82/34/07/1119823407.db2.gz ZBSULLJUJCJWCK-AWEZNQCLSA-N 0 1 291.439 3.740 20 0 CHADMN Cc1cc(C)c(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1C ZINC000235838559 1119826725 /nfs/dbraw/zinc/82/67/25/1119826725.db2.gz FTVFRVNRPCLJRF-MRXNPFEDSA-N 0 1 289.419 3.689 20 0 CHADMN CC[C@@]1(NCc2csc(Cl)c2Cl)CCOC1 ZINC000309590943 1119829503 /nfs/dbraw/zinc/82/95/03/1119829503.db2.gz UTKJCCKKSFQEEA-LLVKDONJSA-N 0 1 280.220 3.714 20 0 CHADMN Brc1ccnc(CN2CCC[C@H]3CCC[C@H]32)c1 ZINC001140766071 1119841247 /nfs/dbraw/zinc/84/12/47/1119841247.db2.gz WYPUXDZVRWHHLS-BXUZGUMPSA-N 0 1 295.224 3.609 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000724859549 1119850601 /nfs/dbraw/zinc/85/06/01/1119850601.db2.gz SNGLITSMNKDNQC-CQSZACIVSA-N 0 1 273.332 3.561 20 0 CHADMN Cc1ccccc1CN(C)[C@H](C)C(=O)Nc1ccccc1C ZINC000016374503 1119850670 /nfs/dbraw/zinc/85/06/70/1119850670.db2.gz UGCHYYUWXCHHET-MRXNPFEDSA-N 0 1 296.414 3.762 20 0 CHADMN CCCC[N@H+](Cc1n[nH]cc1C)[C@@H](C)c1ccc(C)o1 ZINC000685834143 1119853563 /nfs/dbraw/zinc/85/35/63/1119853563.db2.gz WIRFXYUGPVURER-AWEZNQCLSA-N 0 1 275.396 3.983 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1CCCCCCC1 ZINC000003538877 1119863802 /nfs/dbraw/zinc/86/38/02/1119863802.db2.gz SUJOBMDWKBCIMF-UHFFFAOYSA-N 0 1 294.826 3.853 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc3cnccc3c2)[C@H]1[C@@H]1CCCO1 ZINC000685849543 1119869524 /nfs/dbraw/zinc/86/95/24/1119869524.db2.gz MBVVMRXBOJWRON-ROUUACIJSA-N 0 1 296.414 3.624 20 0 CHADMN C[C@H](N[C@H]1CCCc2ccccc21)c1cc2n(n1)CCC2 ZINC000414061362 1119874562 /nfs/dbraw/zinc/87/45/62/1119874562.db2.gz ZDEIPBKENDQGOZ-GUYCJALGSA-N 0 1 281.403 3.558 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)C1CCC1)c1ccn(C)n1 ZINC000414087088 1119890945 /nfs/dbraw/zinc/89/09/45/1119890945.db2.gz ZZCLBQAKXXJLSF-DYVFJYSZSA-N 0 1 269.392 3.612 20 0 CHADMN Cc1cc([C@@H](N[C@@H](C)c2ccn(C)n2)C2CC2)ccc1F ZINC000414099009 1119898052 /nfs/dbraw/zinc/89/80/52/1119898052.db2.gz KHAUNNVNPZFPFY-SJCJKPOMSA-N 0 1 287.382 3.670 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1cc3n(n1)CCC3)CCC2 ZINC000414135066 1119912003 /nfs/dbraw/zinc/91/20/03/1119912003.db2.gz DTQZQCVCASMDNB-KSSFIOAISA-N 0 1 295.430 3.866 20 0 CHADMN Cc1nc([C@H](C)Nc2cc3c(cn2)CCCC3)cs1 ZINC000361187248 1119915628 /nfs/dbraw/zinc/91/56/28/1119915628.db2.gz OHCUHYHOPWMJSB-JTQLQIEISA-N 0 1 273.405 3.898 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccncc2F)c(C)c1 ZINC000414151752 1119916934 /nfs/dbraw/zinc/91/69/34/1119916934.db2.gz QDMFYIQKZJZWCD-STQMWFEESA-N 0 1 288.366 3.950 20 0 CHADMN Cc1ccccc1NC(=O)[C@@H](C)N1CCC(C(C)C)CC1 ZINC000173863128 1119917504 /nfs/dbraw/zinc/91/75/04/1119917504.db2.gz LTSWHQBFVHREIA-OAHLLOKOSA-N 0 1 288.435 3.690 20 0 CHADMN CCCCc1noc(CN2CC[C@H](C)[C@H]3CCCC[C@@H]32)n1 ZINC000613415294 1119918758 /nfs/dbraw/zinc/91/87/58/1119918758.db2.gz CWSCSMUVEOVEQS-ZNMIVQPWSA-N 0 1 291.439 3.813 20 0 CHADMN Cc1ccc(CN[C@@H]2c3cc(F)ccc3C[C@H]2C)nc1C ZINC000414158939 1119920114 /nfs/dbraw/zinc/92/01/14/1119920114.db2.gz ATKRJSMYEDCBPN-XIKOKIGWSA-N 0 1 284.378 3.861 20 0 CHADMN CCc1nc(C)c([C@@H](C)NCc2ccc(C)c(C)n2)s1 ZINC000414160957 1119921211 /nfs/dbraw/zinc/92/12/11/1119921211.db2.gz DRJRVSYQCHPCKH-GFCCVEGCSA-N 0 1 289.448 3.877 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccccc2N(C)C)nc1C ZINC000414167169 1119923811 /nfs/dbraw/zinc/92/38/11/1119923811.db2.gz OTTRPMQCRJIMAE-HNNXBMFYSA-N 0 1 283.419 3.615 20 0 CHADMN Cc1cc(F)ncc1CNCc1ccc(OC(C)C)cc1 ZINC000892545447 1119924328 /nfs/dbraw/zinc/92/43/28/1119924328.db2.gz MOBLIIKANMMWNN-UHFFFAOYSA-N 0 1 288.366 3.606 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H]2C[C@H]2c2ccccc2F)cs1 ZINC000414174488 1119926623 /nfs/dbraw/zinc/92/66/23/1119926623.db2.gz XYRLILDOQHGVTF-LJWDBELGSA-N 0 1 276.380 3.797 20 0 CHADMN CC[C@H](NCc1cnc(C)o1)c1ccc(OC(F)F)cc1 ZINC000414177998 1119928788 /nfs/dbraw/zinc/92/87/88/1119928788.db2.gz JOXVOJGRMNVPQK-AWEZNQCLSA-N 0 1 296.317 3.825 20 0 CHADMN CCc1ccc([C@H](CC)NCc2ccn(CC)n2)cc1 ZINC000414202702 1119937058 /nfs/dbraw/zinc/93/70/58/1119937058.db2.gz DIAWPSGSPHRSGO-KRWDZBQOSA-N 0 1 271.408 3.706 20 0 CHADMN CCn1ccc(CN[C@H](CC(C)C)c2ccccc2)n1 ZINC000414204329 1119938591 /nfs/dbraw/zinc/93/85/91/1119938591.db2.gz FWMQPDOTXXNXOJ-QGZVFWFLSA-N 0 1 271.408 3.780 20 0 CHADMN CCn1ccc(CN[C@@H](CC2CCC2)c2ccccc2)n1 ZINC000414213985 1119941782 /nfs/dbraw/zinc/94/17/82/1119941782.db2.gz VFWDXKSMIHZCMA-SFHVURJKSA-N 0 1 283.419 3.924 20 0 CHADMN CC[C@H](N[C@@H](CC)c1ccccc1)c1ccn(C)n1 ZINC000414223881 1119945197 /nfs/dbraw/zinc/94/51/97/1119945197.db2.gz PVEHIXVLWOPLRV-GJZGRUSLSA-N 0 1 257.381 3.612 20 0 CHADMN CCc1ccc(NC(=O)[C@@H](C)N2CCC(CC)CC2)cc1 ZINC000613503203 1119946476 /nfs/dbraw/zinc/94/64/76/1119946476.db2.gz ZFJYONCFTRARIN-CQSZACIVSA-N 0 1 288.435 3.698 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cnccc2C(C)(C)C)c(C)n1 ZINC000414226133 1119946486 /nfs/dbraw/zinc/94/64/86/1119946486.db2.gz JPAQMWRMFKHYID-GFCCVEGCSA-N 0 1 298.434 3.637 20 0 CHADMN CO[C@@H](c1ccccc1)[C@@H](C)N[C@@H](C)c1nccs1 ZINC000414226180 1119946952 /nfs/dbraw/zinc/94/69/52/1119946952.db2.gz TZBDEKZLDPHPPS-MBNYWOFBSA-N 0 1 276.405 3.570 20 0 CHADMN CCC1CCN([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000613505620 1119947866 /nfs/dbraw/zinc/94/78/66/1119947866.db2.gz IZQOXHPXRJRDNK-HNNXBMFYSA-N 0 1 288.435 3.752 20 0 CHADMN Cn1c2ccc(Cl)cc2nc1CN1CCCC1(C)C ZINC000170872882 1119961186 /nfs/dbraw/zinc/96/11/86/1119961186.db2.gz DDHHINNGJPXANJ-UHFFFAOYSA-N 0 1 277.799 3.601 20 0 CHADMN CC1(C)CCCN1Cc1cc(-c2cccs2)on1 ZINC000170872734 1119961567 /nfs/dbraw/zinc/96/15/67/1119961567.db2.gz CAANEUKNHFCJCW-UHFFFAOYSA-N 0 1 262.378 3.778 20 0 CHADMN CCc1ccc([C@@H](NCc2ccc(C)nn2)C(C)C)cc1 ZINC000414273715 1119961893 /nfs/dbraw/zinc/96/18/93/1119961893.db2.gz ZPTMIAJOFRFXLJ-SFHVURJKSA-N 0 1 283.419 3.834 20 0 CHADMN Cc1cc(NCc2cc(Cl)cc(Cl)c2O)no1 ZINC000181461644 1128880826 /nfs/dbraw/zinc/88/08/26/1128880826.db2.gz WPPDEGVKSQVRLN-UHFFFAOYSA-N 0 1 273.119 3.608 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2oc3ccccc3c2C)cn1 ZINC000414291378 1119967424 /nfs/dbraw/zinc/96/74/24/1119967424.db2.gz OGKOTCCWEOGFFC-ZDUSSCGKSA-N 0 1 295.386 3.944 20 0 CHADMN CC[C@@H](C)[N@@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000170916159 1119969510 /nfs/dbraw/zinc/96/95/10/1119969510.db2.gz SUYNJDLRMBSSTE-CQSZACIVSA-N 0 1 283.419 3.591 20 0 CHADMN CC[C@@H](C)N(C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000170916159 1119969512 /nfs/dbraw/zinc/96/95/12/1119969512.db2.gz SUYNJDLRMBSSTE-CQSZACIVSA-N 0 1 283.419 3.591 20 0 CHADMN Cc1occc1CN[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000414306246 1119973711 /nfs/dbraw/zinc/97/37/11/1119973711.db2.gz QXETVUYPYLDDQP-IRXDYDNUSA-N 0 1 271.360 3.598 20 0 CHADMN Cc1ccc(CNCc2ccc(C(F)F)c(F)c2)cn1 ZINC000892605667 1119974371 /nfs/dbraw/zinc/97/43/71/1119974371.db2.gz UFRZQHZXZUGSCF-UHFFFAOYSA-N 0 1 280.293 3.757 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1Cc1noc(-c2ccccc2C)n1 ZINC000472579034 1119975134 /nfs/dbraw/zinc/97/51/34/1119975134.db2.gz OFCISUNBCXDEFX-OCCSQVGLSA-N 0 1 285.391 3.665 20 0 CHADMN CCc1ncc(CNCc2csc3ccccc23)cn1 ZINC000414317059 1119979292 /nfs/dbraw/zinc/97/92/92/1119979292.db2.gz VITFWAHKDAJJKW-UHFFFAOYSA-N 0 1 283.400 3.544 20 0 CHADMN C[C@@H]1[C@@H](NCc2nnc(C3CC3)s2)C[C@@H]1c1ccccc1 ZINC000414321096 1119981048 /nfs/dbraw/zinc/98/10/48/1119981048.db2.gz DGYNQPNLUDJOEE-CQDKDKBSSA-N 0 1 299.443 3.697 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)Cc2csc(Cl)n2)C1 ZINC000309397386 1119981089 /nfs/dbraw/zinc/98/10/89/1119981089.db2.gz GOIXCGABIMBFFV-GXSJLCMTSA-N 0 1 258.818 3.807 20 0 CHADMN CC[C@H](Cc1ccccc1)NCc1nnc(C2CC2)s1 ZINC000414335050 1119988766 /nfs/dbraw/zinc/98/87/66/1119988766.db2.gz XTGMTYMYZAHSAT-CQSZACIVSA-N 0 1 287.432 3.526 20 0 CHADMN CC(C)C[C@@H]1CCN([C@@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000472590737 1119990450 /nfs/dbraw/zinc/99/04/50/1119990450.db2.gz OBUYDNZKPAGEEQ-HOTGVXAUSA-N 0 1 298.434 3.696 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccccc2C)C(C)C)nn1 ZINC000414348647 1119993647 /nfs/dbraw/zinc/99/36/47/1119993647.db2.gz JHVBFDFTOAFWDN-QGZVFWFLSA-N 0 1 269.392 3.580 20 0 CHADMN Cc1ccc(CN[C@@H](CC(C)C)c2ccccc2C)nn1 ZINC000414352692 1119995306 /nfs/dbraw/zinc/99/53/06/1119995306.db2.gz QENCGBZAQHIDCG-SFHVURJKSA-N 0 1 283.419 3.970 20 0 CHADMN FC(F)(F)[C@@H]1CCCN(Cc2scnc2C2CC2)C1 ZINC000343677956 1120004970 /nfs/dbraw/zinc/00/49/70/1120004970.db2.gz MMNVHKWSQDVTNU-SNVBAGLBSA-N 0 1 290.354 3.795 20 0 CHADMN c1nc2ccc(NCc3nccc4ccccc43)cc2[nH]1 ZINC001167704225 1120013952 /nfs/dbraw/zinc/01/39/52/1120013952.db2.gz GORUNYPDVWIHIN-UHFFFAOYSA-N 0 1 274.327 3.723 20 0 CHADMN CCc1ncc(CN2C[C@H](C)C[C@H]2c2cccc(F)c2)cn1 ZINC000414392896 1120015780 /nfs/dbraw/zinc/01/57/80/1120015780.db2.gz HBRHGQFCMBQBQY-DYVFJYSZSA-N 0 1 299.393 3.761 20 0 CHADMN CC[C@@]1(CO)CCCN1Cc1cccc(Cl)c1Cl ZINC000472616836 1120031067 /nfs/dbraw/zinc/03/10/67/1120031067.db2.gz OFAPKHLBHJYOQR-AWEZNQCLSA-N 0 1 288.218 3.730 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(F)c(F)c2)cc1F ZINC001239585390 1120043342 /nfs/dbraw/zinc/04/33/42/1120043342.db2.gz CBTCKPOJJDNDIA-UHFFFAOYSA-N 0 1 265.278 3.833 20 0 CHADMN Fc1ccc(F)c(CNCc2cccc3cnccc32)c1 ZINC000107929154 1120062793 /nfs/dbraw/zinc/06/27/93/1120062793.db2.gz IYQHLASZDVFHKB-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN CCOc1ccc(CN[C@H]2CCc3cc(C)ccc32)o1 ZINC000892682381 1120067564 /nfs/dbraw/zinc/06/75/64/1120067564.db2.gz YINJGCXRTDDOED-INIZCTEOSA-N 0 1 271.360 3.764 20 0 CHADMN FC(F)(F)c1nc2cccc(-c3ccoc3)c2[nH]1 ZINC001239692489 1120072601 /nfs/dbraw/zinc/07/26/01/1120072601.db2.gz YSWWVZPLHUFZSW-UHFFFAOYSA-N 0 1 252.195 3.842 20 0 CHADMN C[C@@H](NCc1nc(C(C)(C)C)co1)C(C)(C)C(F)F ZINC000903312927 1120081607 /nfs/dbraw/zinc/08/16/07/1120081607.db2.gz CZWXDUDJBSHBQQ-SECBINFHSA-N 0 1 274.355 3.742 20 0 CHADMN COCCN(C)Cc1sc2ccccc2c1Cl ZINC000054355683 1120085456 /nfs/dbraw/zinc/08/54/56/1120085456.db2.gz CLECKUJIHHMDND-UHFFFAOYSA-N 0 1 269.797 3.633 20 0 CHADMN O=c1nc(Cc2cccc3ccccc32)[nH]c2ccsc21 ZINC000054753920 1120092322 /nfs/dbraw/zinc/09/23/22/1120092322.db2.gz RFTXXVMGJFCEFK-UHFFFAOYSA-N 0 1 292.363 3.729 20 0 CHADMN CCC(CC)[C@@H](O)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000180521755 1120099429 /nfs/dbraw/zinc/09/94/29/1120099429.db2.gz BSCQSLUDMGGZLD-OALUTQOASA-N 0 1 298.430 3.558 20 0 CHADMN CCc1ccccc1-c1cc(N2CCCC2)ccn1 ZINC001239742498 1120102933 /nfs/dbraw/zinc/10/29/33/1120102933.db2.gz CTBKRHRGOHJNGV-UHFFFAOYSA-N 0 1 252.361 3.911 20 0 CHADMN CC(C)c1cc(CN[C@@H](C)CSC(C)(C)C)on1 ZINC000169244992 1120104758 /nfs/dbraw/zinc/10/47/58/1120104758.db2.gz MHIGADWKZCJANZ-NSHDSACASA-N 0 1 270.442 3.808 20 0 CHADMN c1ncc(CN2CCC(CCc3ccccc3)CC2)o1 ZINC001140932049 1120106923 /nfs/dbraw/zinc/10/69/23/1120106923.db2.gz YLXPSOHZEUNBKW-UHFFFAOYSA-N 0 1 270.376 3.519 20 0 CHADMN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000935972950 1120109388 /nfs/dbraw/zinc/10/93/88/1120109388.db2.gz JKLHJFUBLMNEJW-ZYUZMQFOSA-N 0 1 297.757 3.805 20 0 CHADMN COc1ccnc(CN(C)[C@H](C)c2cccc(Cl)c2)c1 ZINC000106933620 1120110265 /nfs/dbraw/zinc/11/02/65/1120110265.db2.gz VNHRZZMHVZTUEN-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000659801102 1120113030 /nfs/dbraw/zinc/11/30/30/1120113030.db2.gz MGOCTVPDHUAZHJ-ZBFHGGJFSA-N 0 1 297.398 3.691 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000659800891 1120113725 /nfs/dbraw/zinc/11/37/25/1120113725.db2.gz CQKLTSVQCJDTNM-AAEUAGOBSA-N 0 1 277.364 3.551 20 0 CHADMN CCCCC[C@@H]1CCCC[N@H+]1CCCCC(=O)[O-] ZINC000659803794 1120114051 /nfs/dbraw/zinc/11/40/51/1120114051.db2.gz NSXUDPFHLKVCNC-CQSZACIVSA-N 0 1 255.402 3.676 20 0 CHADMN CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(C(=O)[O-])sc1C ZINC000659804586 1120114466 /nfs/dbraw/zinc/11/44/66/1120114466.db2.gz ZSFZOVYQNXSWEH-GXFFZTMASA-N 0 1 281.421 3.908 20 0 CHADMN COc1ccc([C@@H]2CCCN2Cc2cc(C3CC3)no2)cc1 ZINC000659828231 1120119911 /nfs/dbraw/zinc/11/99/11/1120119911.db2.gz AUXQSEVYOXIZJD-SFHVURJKSA-N 0 1 298.386 3.898 20 0 CHADMN CS[C@@H]1CC[C@@H](N(C)Cc2csc(C(C)C)n2)C1 ZINC001116445333 1120122181 /nfs/dbraw/zinc/12/21/81/1120122181.db2.gz QTAXVDQUZUPSEY-CHWSQXEVSA-N 0 1 284.494 3.982 20 0 CHADMN CC[C@@H]1CN(C/C=C/c2ccc(F)cc2F)CCS1 ZINC000542702768 1120124183 /nfs/dbraw/zinc/12/41/83/1120124183.db2.gz STCWWAGPAVBOGG-RDFMZFSFSA-N 0 1 283.387 3.805 20 0 CHADMN O=C1[C@@H]2CCCCCC2=NN1c1nc2ccccc2s1 ZINC000107892404 1120129367 /nfs/dbraw/zinc/12/93/67/1120129367.db2.gz XGNALKIEONTPME-SNVBAGLBSA-N 0 1 285.372 3.579 20 0 CHADMN CCOc1ccc(F)c(F)c1CN(C(C)C)C(C)C ZINC001143485605 1120130036 /nfs/dbraw/zinc/13/00/36/1120130036.db2.gz DQYUUTUZULCHMU-UHFFFAOYSA-N 0 1 271.351 3.982 20 0 CHADMN CC(C)(CCSc1n[nH]c(C2CC2)n1)C1CC1 ZINC000655473342 1120132602 /nfs/dbraw/zinc/13/26/02/1120132602.db2.gz LIWRMGIKHGCBGB-UHFFFAOYSA-N 0 1 251.399 3.601 20 0 CHADMN CC(C)(CCSc1nc(C2CC2)n[nH]1)C1CC1 ZINC000655473342 1120132600 /nfs/dbraw/zinc/13/26/00/1120132600.db2.gz LIWRMGIKHGCBGB-UHFFFAOYSA-N 0 1 251.399 3.601 20 0 CHADMN Cc1cc2nccn2cc1N[C@@H]1CCNc2ccccc21 ZINC001168643539 1120133404 /nfs/dbraw/zinc/13/34/04/1120133404.db2.gz DRIRAKZMVNQNEN-OAHLLOKOSA-N 0 1 278.359 3.612 20 0 CHADMN CO[C@@H](CNCc1c(Cl)cccc1Cl)C1CC1 ZINC000378829399 1120133599 /nfs/dbraw/zinc/13/35/99/1120133599.db2.gz RAEJAJAUWUNHKH-ZDUSSCGKSA-N 0 1 274.191 3.508 20 0 CHADMN Cc1cc(CNCc2ccccc2C(F)(F)F)cnc1F ZINC000892741575 1120134222 /nfs/dbraw/zinc/13/42/22/1120134222.db2.gz SMPYYSZBQFKHLC-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Fc1ccc(C2(NCc3cccc4c3OCC4)CC2)cc1 ZINC000921696136 1120134286 /nfs/dbraw/zinc/13/42/86/1120134286.db2.gz FZONWZVRFAYQRN-UHFFFAOYSA-N 0 1 283.346 3.540 20 0 CHADMN Cc1nnc([C@H](C)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)o1 ZINC000183641806 1120137829 /nfs/dbraw/zinc/13/78/29/1120137829.db2.gz HCULHIJYTYTXLU-VKZOAXOMSA-N 0 1 289.423 3.634 20 0 CHADMN C[C@@H](NCc1cncn1C)c1ccc(-c2ccccc2)o1 ZINC000353580218 1120142480 /nfs/dbraw/zinc/14/24/80/1120142480.db2.gz WOHMPBHPADJKCK-CYBMUJFWSA-N 0 1 281.359 3.531 20 0 CHADMN COc1ccc(CNC2(c3ccc(F)cc3)CCC2)o1 ZINC000892786969 1120142723 /nfs/dbraw/zinc/14/27/23/1120142723.db2.gz YESOLTFLZOYDPJ-UHFFFAOYSA-N 0 1 275.323 3.596 20 0 CHADMN FCCCN[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000542780098 1120145114 /nfs/dbraw/zinc/14/51/14/1120145114.db2.gz JYPGHURSQFDOCY-KRWDZBQOSA-N 0 1 284.334 3.866 20 0 CHADMN C[C@@H](NC(=O)CN(C)[C@H](C)c1ccccc1)c1ccccc1 ZINC000301906675 1120147730 /nfs/dbraw/zinc/14/77/30/1120147730.db2.gz MVPWIFIKXMZGDH-HZPDHXFCSA-N 0 1 296.414 3.557 20 0 CHADMN CCC1(CC)[C@H](N(C)Cc2nc(C)c(C)s2)C[C@@H]1OC ZINC000362547902 1120153889 /nfs/dbraw/zinc/15/38/89/1120153889.db2.gz NRUIHFVYFKKPEK-KGLIPLIRSA-N 0 1 296.480 3.785 20 0 CHADMN COc1ccccc1C(C)(C)NCc1cnc(F)c(C)c1 ZINC000892876907 1120155186 /nfs/dbraw/zinc/15/51/86/1120155186.db2.gz ZIZLYTIHTIBLHK-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN Cc1cc(C)cc(CNCc2ccc(C)c(C)n2)c1 ZINC000313904115 1120156040 /nfs/dbraw/zinc/15/60/40/1120156040.db2.gz HHBMLMUHHLIKCY-UHFFFAOYSA-N 0 1 254.377 3.605 20 0 CHADMN COc1nccc(CN[C@@H](C)c2cc(C)cc(C)c2)c1F ZINC000892903297 1120158038 /nfs/dbraw/zinc/15/80/38/1120158038.db2.gz PLIHBLBLASGVDY-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN C[C@@H](NCc1cnc(-c2ccccc2)nc1)c1ccccc1 ZINC000069645348 1128894966 /nfs/dbraw/zinc/89/49/66/1128894966.db2.gz DRSGCTGUNAGFSX-OAHLLOKOSA-N 0 1 289.382 3.994 20 0 CHADMN CCOc1ccc(CN[C@@H]2CCc3ccc(C)cc32)o1 ZINC000892920780 1120161684 /nfs/dbraw/zinc/16/16/84/1120161684.db2.gz KMXJXPFUNKJPBE-MRXNPFEDSA-N 0 1 271.360 3.764 20 0 CHADMN CCn1cc(CN[C@H]2CC(C)(C)Cc3oc(C)cc32)cn1 ZINC000112097077 1120168327 /nfs/dbraw/zinc/16/83/27/1120168327.db2.gz VDOHDVSGYBECKW-HNNXBMFYSA-N 0 1 287.407 3.608 20 0 CHADMN COc1cc(CN2CCCCC[C@H]2c2ccccc2)on1 ZINC000659844229 1120169450 /nfs/dbraw/zinc/16/94/50/1120169450.db2.gz BDKRVEALFXZWMJ-INIZCTEOSA-N 0 1 286.375 3.801 20 0 CHADMN CCc1cc(CCCN2CC[C@@H]2c2ccc(F)cc2)on1 ZINC000661514107 1120170395 /nfs/dbraw/zinc/17/03/95/1120170395.db2.gz PJVUFCOEZWJUMG-QGZVFWFLSA-N 0 1 288.366 3.756 20 0 CHADMN N#C[C@H](C(=O)C1=CCCCCC1)c1cnc2ccccc2n1 ZINC000190988312 1128896451 /nfs/dbraw/zinc/89/64/51/1128896451.db2.gz ZIGUWWZIZODZJO-AWEZNQCLSA-N 0 1 291.354 3.697 20 0 CHADMN N#CC(C(=O)C1=CCCCCC1)c1cnc2ccccc2n1 ZINC000190988312 1128896460 /nfs/dbraw/zinc/89/64/60/1128896460.db2.gz ZIGUWWZIZODZJO-AWEZNQCLSA-N 0 1 291.354 3.697 20 0 CHADMN COc1cc(CN2CCC[C@H]2c2ccccc2C)sn1 ZINC000659848169 1120186420 /nfs/dbraw/zinc/18/64/20/1120186420.db2.gz YNERMNORTARIPG-HNNXBMFYSA-N 0 1 288.416 3.797 20 0 CHADMN CC[C@@](C)(NCc1c(Cl)c(C)nn1C)c1ccccc1 ZINC000892973413 1120186567 /nfs/dbraw/zinc/18/65/67/1120186567.db2.gz QUONCCIPRAWLQR-MRXNPFEDSA-N 0 1 291.826 3.797 20 0 CHADMN Cc1cc2cc(CNc3ncnc4ccsc43)ccc2[nH]1 ZINC000343847132 1120189147 /nfs/dbraw/zinc/18/91/47/1120189147.db2.gz ITMYPHIZUCHAAN-UHFFFAOYSA-N 0 1 294.383 3.515 20 0 CHADMN Cc1ccc(CNCc2cccc(OC(C)C)c2)nc1C ZINC000314375892 1120189469 /nfs/dbraw/zinc/18/94/69/1120189469.db2.gz AHPBWZTXINPDBF-UHFFFAOYSA-N 0 1 284.403 3.775 20 0 CHADMN CC(C)[C@@H](NCc1cnn(CC2CCC2)c1)c1ccccn1 ZINC000921760987 1120200054 /nfs/dbraw/zinc/20/00/54/1120200054.db2.gz LJDJNVFYRBNNBQ-GOSISDBHSA-N 0 1 298.434 3.565 20 0 CHADMN CCc1ccccc1CNCc1cccc(OC)c1F ZINC000165862220 1120204496 /nfs/dbraw/zinc/20/44/96/1120204496.db2.gz UXDUPXUCGXRQAB-UHFFFAOYSA-N 0 1 273.351 3.687 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SC3CCCC3)n2)o1 ZINC000624783463 1120206331 /nfs/dbraw/zinc/20/63/31/1120206331.db2.gz YOOKHBYTFQCNGR-HJWRWDBZSA-N 0 1 275.377 3.911 20 0 CHADMN COC[C@@H](NCc1cccc(Cl)c1)c1ccccc1 ZINC000113355522 1120207743 /nfs/dbraw/zinc/20/77/43/1120207743.db2.gz FKVBSIHFXDUZLV-MRXNPFEDSA-N 0 1 275.779 3.817 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1C(=O)c1cccc(F)c1O ZINC001267692253 1120211443 /nfs/dbraw/zinc/21/14/43/1120211443.db2.gz SFJUCRXRHSZKCI-AWEZNQCLSA-N 0 1 299.345 3.508 20 0 CHADMN C[C@@H](N[C@@H](c1ccccn1)C1CC1)c1cc(O)cc(F)c1 ZINC000926895723 1120211852 /nfs/dbraw/zinc/21/18/52/1120211852.db2.gz HLIAHUWBCKSIAC-PIGZYNQJSA-N 0 1 286.350 3.728 20 0 CHADMN CC[C@H](NCc1ccc(O)cc1)c1ccccc1F ZINC000166043603 1120215499 /nfs/dbraw/zinc/21/54/99/1120215499.db2.gz VHNGPRZSQUZKJC-INIZCTEOSA-N 0 1 259.324 3.772 20 0 CHADMN Cc1ccc(CC[C@H](C)NCc2nnc(C(C)C)s2)o1 ZINC000893077744 1120215982 /nfs/dbraw/zinc/21/59/82/1120215982.db2.gz KLHZCQXACNFBFE-NSHDSACASA-N 0 1 293.436 3.674 20 0 CHADMN c1cc(CN2CCCCC[C@H]2c2ccccc2)no1 ZINC000172651366 1120216082 /nfs/dbraw/zinc/21/60/82/1120216082.db2.gz IGNIUBGRBYHTSA-INIZCTEOSA-N 0 1 256.349 3.792 20 0 CHADMN CC[C@H](C)C[C@H](C)NCc1nnc(C(C)C)s1 ZINC000893084522 1120218093 /nfs/dbraw/zinc/21/80/93/1120218093.db2.gz BWHYNQOGLNTAIA-QWRGUYRKSA-N 0 1 255.431 3.576 20 0 CHADMN CC(C)n1ccnc1C[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000177541661 1120219027 /nfs/dbraw/zinc/21/90/27/1120219027.db2.gz XUIBIQLIZQHJBP-NVXWUHKLSA-N 0 1 283.419 3.842 20 0 CHADMN COc1cc(CN(C)CCc2cccc3ccccc32)on1 ZINC000659869081 1120222112 /nfs/dbraw/zinc/22/21/12/1120222112.db2.gz UKANQHHIXDNPJG-UHFFFAOYSA-N 0 1 296.370 3.511 20 0 CHADMN CSc1ccc(NC(=O)c2cccc3cn[nH]c32)cc1 ZINC000039553492 1120226228 /nfs/dbraw/zinc/22/62/28/1120226228.db2.gz FDPKPQOPMSUOAL-UHFFFAOYSA-N 0 1 283.356 3.537 20 0 CHADMN Cc1ccc2c(ccnc2NCCCOC(C)C)c1 ZINC001168676775 1120231697 /nfs/dbraw/zinc/23/16/97/1120231697.db2.gz OBWNYIQHEPPLGR-UHFFFAOYSA-N 0 1 258.365 3.770 20 0 CHADMN C[C@@H](N[C@H]1Cc2cccc(Cl)c2C1)c1cscn1 ZINC001168685683 1120247297 /nfs/dbraw/zinc/24/72/97/1120247297.db2.gz SNLCHQQYRUOASX-KOLCDFICSA-N 0 1 278.808 3.615 20 0 CHADMN CC(C)[C@H](N)c1noc(C[C@H](c2ccccc2)C(C)C)n1 ZINC000843148872 1120248691 /nfs/dbraw/zinc/24/86/91/1120248691.db2.gz FAZHNNQISDNZPN-HOCLYGCPSA-N 0 1 287.407 3.708 20 0 CHADMN CCCCc1nc(CN[C@H](CO)C2CCCCC2)cs1 ZINC000542911872 1120249027 /nfs/dbraw/zinc/24/90/27/1120249027.db2.gz BZWXMPODRRXBTH-OAHLLOKOSA-N 0 1 296.480 3.517 20 0 CHADMN Cc1cccc(C2(c3nc([C@@H](N)C(C)C)no3)CCC2)c1 ZINC000843148170 1120250951 /nfs/dbraw/zinc/25/09/51/1120250951.db2.gz NUIDEKFSCAJWCX-AWEZNQCLSA-N 0 1 285.391 3.504 20 0 CHADMN C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCCC[C@H](C)C1 ZINC000187933757 1120251770 /nfs/dbraw/zinc/25/17/70/1120251770.db2.gz DAOHXFLULZTACW-GJZGRUSLSA-N 0 1 299.418 3.843 20 0 CHADMN C[C@@H](c1nc(Cc2ccccc2)no1)N1CCCC[C@H](C)C1 ZINC000187933757 1120251774 /nfs/dbraw/zinc/25/17/74/1120251774.db2.gz DAOHXFLULZTACW-GJZGRUSLSA-N 0 1 299.418 3.843 20 0 CHADMN C/C(=C\c1ccc(C)cc1)c1nc([C@H](N)C(C)C)no1 ZINC000843149954 1120251931 /nfs/dbraw/zinc/25/19/31/1120251931.db2.gz QWFZPYIAVGMTHS-BRADTZPFSA-N 0 1 271.364 3.594 20 0 CHADMN CCCc1cc(C(=O)N2CCCC3(CCCCC3)C2)n[nH]1 ZINC000111162898 1120252779 /nfs/dbraw/zinc/25/27/79/1120252779.db2.gz HIOZWMWZWZQAQL-UHFFFAOYSA-N 0 1 289.423 3.549 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2ccc(-c3ccco3)s2)n1 ZINC000843151415 1120256911 /nfs/dbraw/zinc/25/69/11/1120256911.db2.gz ZFFCUPHHBMUYLB-LBPRGKRZSA-N 0 1 289.360 3.714 20 0 CHADMN CCCc1cc(C(=O)N(CC2CCCCC2)C2CC2)n[nH]1 ZINC000618249639 1128902617 /nfs/dbraw/zinc/90/26/17/1128902617.db2.gz SAGHIVGAPSVULV-UHFFFAOYSA-N 0 1 289.423 3.547 20 0 CHADMN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1cn[nH]c1 ZINC000085825866 1120259034 /nfs/dbraw/zinc/25/90/34/1120259034.db2.gz FRBHXAOFXFHWFQ-SNVBAGLBSA-N 0 1 283.297 3.622 20 0 CHADMN C[C@@H](NC[C@H](O)c1ccccc1)c1c(F)cccc1Cl ZINC000181747491 1128902780 /nfs/dbraw/zinc/90/27/80/1128902780.db2.gz ISUYTCZGQJMDNB-ABAIWWIYSA-N 0 1 293.769 3.863 20 0 CHADMN CC(C)[C@H](N)c1noc(CSc2ccccc2Cl)n1 ZINC000843153385 1120262729 /nfs/dbraw/zinc/26/27/29/1120262729.db2.gz UVKPVHWIDVSGHX-LBPRGKRZSA-N 0 1 297.811 3.671 20 0 CHADMN Cc1cccc(C2(c3nc([C@@H](N)C(C)C)no3)CCCC2)c1 ZINC000843156003 1120265195 /nfs/dbraw/zinc/26/51/95/1120265195.db2.gz UPCMTYCGJSVMOD-HNNXBMFYSA-N 0 1 299.418 3.894 20 0 CHADMN CC1CCN(Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000063517206 1120266840 /nfs/dbraw/zinc/26/68/40/1120266840.db2.gz ALBXKEJMYIAPRP-UHFFFAOYSA-N 0 1 295.430 3.593 20 0 CHADMN Cc1cc([C@@H](C)NCc2nn(C)c3ccccc23)cs1 ZINC000651326091 1120273711 /nfs/dbraw/zinc/27/37/11/1120273711.db2.gz LEGUHBLKUFHJAB-GFCCVEGCSA-N 0 1 285.416 3.794 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2sc(C)nc2C)cc1 ZINC000172744915 1120274458 /nfs/dbraw/zinc/27/44/58/1120274458.db2.gz FXXQFQIUDUUYMY-LBPRGKRZSA-N 0 1 290.432 3.962 20 0 CHADMN CCCC(=O)Nc1cccc2c1CN(CCC(C)C)C2 ZINC000076171381 1120278702 /nfs/dbraw/zinc/27/87/02/1120278702.db2.gz BSQASHZBPVUMIO-UHFFFAOYSA-N 0 1 274.408 3.787 20 0 CHADMN CC[C@@H](CSc1ccccc1)NCc1nnc(C)s1 ZINC000893182010 1120284697 /nfs/dbraw/zinc/28/46/97/1120284697.db2.gz OVYCLENVCCAGBP-LBPRGKRZSA-N 0 1 293.461 3.507 20 0 CHADMN Cc1nc(CN2CCCC3(CCCCC3)C2)c(C)o1 ZINC000659920353 1120286217 /nfs/dbraw/zinc/28/62/17/1120286217.db2.gz KVXVHEVFUDPZEF-UHFFFAOYSA-N 0 1 262.397 3.838 20 0 CHADMN CC(C)CCN(C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000076794494 1120296435 /nfs/dbraw/zinc/29/64/35/1120296435.db2.gz MTXHOXDGAJLCDN-UHFFFAOYSA-N 0 1 276.355 3.959 20 0 CHADMN FC(F)(F)COCCN1CCCCC[C@H]1c1ccco1 ZINC000076803947 1120297218 /nfs/dbraw/zinc/29/72/18/1120297218.db2.gz BZZOYHXYVBETSF-LBPRGKRZSA-N 0 1 291.313 3.776 20 0 CHADMN COc1cccc2c1CN(Cc1cc(C)sc1C)CC2 ZINC001138566814 1128906142 /nfs/dbraw/zinc/90/61/42/1128906142.db2.gz HOLIAOCMCWXOFB-UHFFFAOYSA-N 0 1 287.428 3.932 20 0 CHADMN C[C@@H](N[C@H]1CSC1(C)C)c1nc2c(s1)CCCC2 ZINC000338778074 1120300329 /nfs/dbraw/zinc/30/03/29/1120300329.db2.gz OSWUCYIMCFTPJK-SKDRFNHKSA-N 0 1 282.478 3.567 20 0 CHADMN CC[C@@H](C)CN(C)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000172800981 1120303841 /nfs/dbraw/zinc/30/38/41/1120303841.db2.gz KCTOXYIMOKNQCN-KGLIPLIRSA-N 0 1 287.407 3.699 20 0 CHADMN CO[C@@H](C)CN(Cc1nsc2ccccc12)C(C)C ZINC000659949366 1120304006 /nfs/dbraw/zinc/30/40/06/1120304006.db2.gz UHRWLEHLEGBYDC-LBPRGKRZSA-N 0 1 278.421 3.542 20 0 CHADMN C[C@@H]1CCC[C@H](OCC(=O)Nc2cccc(Cl)c2O)C1 ZINC000077012951 1120305706 /nfs/dbraw/zinc/30/57/06/1120305706.db2.gz JWCABSMMRFHXEJ-MNOVXSKESA-N 0 1 297.782 3.579 20 0 CHADMN CCc1ccccc1-c1noc([C@@H](CC(C)(C)C)NC)n1 ZINC000843177223 1120306867 /nfs/dbraw/zinc/30/68/67/1120306867.db2.gz FATDSKNPUFCNOF-CQSZACIVSA-N 0 1 287.407 3.996 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@H]2c2cccc(F)c2)nc(C)n1 ZINC000659956567 1120309070 /nfs/dbraw/zinc/30/90/70/1120309070.db2.gz BOIQYFCCBXHFDZ-XIKOKIGWSA-N 0 1 299.393 3.816 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2F)N(CCO[C@@H]2CC2(F)F)C1 ZINC000659963497 1120312642 /nfs/dbraw/zinc/31/26/42/1120312642.db2.gz ZVUFYLYNJOQUNN-KCPJHIHWSA-N 0 1 299.336 3.633 20 0 CHADMN COc1ccc2c(c1)OCC[C@H]2N[C@@H](C)c1cncc(C)c1 ZINC000363809329 1120316464 /nfs/dbraw/zinc/31/64/64/1120316464.db2.gz BHNKRNBRYQKVKA-SUMWQHHRSA-N 0 1 298.386 3.573 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)C[C@H]2c2ccco2)nc(C)n1 ZINC000659970948 1120316537 /nfs/dbraw/zinc/31/65/37/1120316537.db2.gz SMFNAAIGIGVTBZ-WBMJQRKESA-N 0 1 285.391 3.660 20 0 CHADMN Cc1ncsc1C[N@@H+](C)CCOC1CCCCCC1 ZINC000077284458 1120321925 /nfs/dbraw/zinc/32/19/25/1120321925.db2.gz HOTZHYSNVFBGRK-UHFFFAOYSA-N 0 1 282.453 3.623 20 0 CHADMN Cc1ncsc1CN(C)CCOC1CCCCCC1 ZINC000077284458 1120321930 /nfs/dbraw/zinc/32/19/30/1120321930.db2.gz HOTZHYSNVFBGRK-UHFFFAOYSA-N 0 1 282.453 3.623 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc([C@@H](C)c2cccs2)no1 ZINC000843188307 1120330336 /nfs/dbraw/zinc/33/03/36/1120330336.db2.gz APNSOWMUFAUPRC-WDEREUQCSA-N 0 1 293.436 3.980 20 0 CHADMN CC1(C)CCC(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)CC1 ZINC000629377293 1128908801 /nfs/dbraw/zinc/90/88/01/1128908801.db2.gz MKNHGPFKIOBQMC-HRCADAONSA-N 0 1 293.451 3.778 20 0 CHADMN c1cc([C@@H]2CN(C[C@@H]3CC[C@@H]4C[C@@H]4C3)CCO2)cs1 ZINC000660001086 1120335733 /nfs/dbraw/zinc/33/57/33/1120335733.db2.gz LUJYIKFPJMEBAU-VDERGJSUSA-N 0 1 277.433 3.558 20 0 CHADMN C[C@H]1CN(CCC2CCC2)C[C@H](c2ccsc2)O1 ZINC000660004208 1120336951 /nfs/dbraw/zinc/33/69/51/1120336951.db2.gz YHFAIIDRQJQUJO-SWLSCSKDSA-N 0 1 265.422 3.700 20 0 CHADMN CC(C)O[C@H]1CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000651386854 1120338802 /nfs/dbraw/zinc/33/88/02/1120338802.db2.gz ZOUDWOUQSYSTMX-AWEZNQCLSA-N 0 1 288.366 3.768 20 0 CHADMN CC[C@H]1CCCN([C@@H](C)C(=O)Nc2cc(F)ccc2C)C1 ZINC000042145637 1120338813 /nfs/dbraw/zinc/33/88/13/1120338813.db2.gz LRNGTXJSDKBOSE-KBPBESRZSA-N 0 1 292.398 3.583 20 0 CHADMN Cc1nc(CN2CCC[C@H]2c2cc(C)ccc2C)co1 ZINC000660006397 1120339439 /nfs/dbraw/zinc/33/94/39/1120339439.db2.gz YDZZNSOZZQSLSX-KRWDZBQOSA-N 0 1 270.376 3.937 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2CCC2CCCC2)co1 ZINC000660013594 1120341085 /nfs/dbraw/zinc/34/10/85/1120341085.db2.gz QVNGGJYIPUBDJV-MRXNPFEDSA-N 0 1 262.397 3.918 20 0 CHADMN CC(C)CCN(C(=O)c1[nH]nc2ccccc21)C1CCCC1 ZINC000387918310 1120341808 /nfs/dbraw/zinc/34/18/08/1120341808.db2.gz ONTVDWLYSVHVKD-UHFFFAOYSA-N 0 1 299.418 3.994 20 0 CHADMN CCn1ccnc1CN1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000183486562 1120342828 /nfs/dbraw/zinc/34/28/28/1120342828.db2.gz VZOKTLBUROAUNC-INIZCTEOSA-N 0 1 283.419 3.509 20 0 CHADMN COc1cc(CN[C@H](c2ccccc2)C(C)(C)C)on1 ZINC000660035020 1120348462 /nfs/dbraw/zinc/34/84/62/1120348462.db2.gz PJPWJQLUEJGEJV-OAHLLOKOSA-N 0 1 274.364 3.560 20 0 CHADMN Cc1cc(CN(C2CC2)[C@@H]2CCc3ccccc32)nc(C)n1 ZINC000660035781 1120350190 /nfs/dbraw/zinc/35/01/90/1120350190.db2.gz BWAUFBSMUILSKV-LJQANCHMSA-N 0 1 293.414 3.745 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000388017434 1120353451 /nfs/dbraw/zinc/35/34/51/1120353451.db2.gz DXJLZJDKOZVMOD-SFHVURJKSA-N 0 1 295.382 3.793 20 0 CHADMN CC[C@H](C)Sc1nc(-c2ccccc2F)n[nH]1 ZINC000077904060 1120355240 /nfs/dbraw/zinc/35/52/40/1120355240.db2.gz AWECMQQZGHYYFD-QMMMGPOBSA-N 0 1 251.330 3.501 20 0 CHADMN CC(C)(C)c1coc(CNCCCc2ccccc2F)n1 ZINC000922082955 1120359461 /nfs/dbraw/zinc/35/94/61/1120359461.db2.gz KSCYTRLMIOEVTQ-UHFFFAOYSA-N 0 1 290.382 3.834 20 0 CHADMN C[C@@]1(NCc2cc(C3CC3)no2)CCCc2ccccc21 ZINC000660068249 1120361561 /nfs/dbraw/zinc/36/15/61/1120361561.db2.gz BFDGUZWDDDFAQL-GOSISDBHSA-N 0 1 282.387 3.893 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1NCc1nccn1C1CC1 ZINC000893268644 1120362403 /nfs/dbraw/zinc/36/24/03/1120362403.db2.gz HKLXNGKMADDDTC-ACJLOTCBSA-N 0 1 281.403 3.631 20 0 CHADMN Cc1cc(C)cc(N(C)C(=O)c2cc(F)cc3[nH]cnc32)c1 ZINC000065861919 1120365080 /nfs/dbraw/zinc/36/50/80/1120365080.db2.gz JBNSIQHJAXAZCF-UHFFFAOYSA-N 0 1 297.333 3.595 20 0 CHADMN C[C@H](NCc1cnn(C2CCC2)c1)c1ccsc1 ZINC000922107718 1120368719 /nfs/dbraw/zinc/36/87/19/1120368719.db2.gz CLIQWBDUTLZTMH-NSHDSACASA-N 0 1 261.394 3.520 20 0 CHADMN CCC[C@H](C)CCC[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000629492177 1128912204 /nfs/dbraw/zinc/91/22/04/1128912204.db2.gz KQEXXJZOULLHOO-ZDUSSCGKSA-N 0 1 257.418 3.636 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cc4ccccc4o3)cc2[nH]1 ZINC000010656984 1120376262 /nfs/dbraw/zinc/37/62/62/1120376262.db2.gz YMWQMFUWYXZPRS-UHFFFAOYSA-N 0 1 291.310 3.870 20 0 CHADMN c1c(CN2CCC[C@H](Nc3ccccc3)C2)onc1C1CC1 ZINC000660101991 1120378040 /nfs/dbraw/zinc/37/80/40/1120378040.db2.gz RYDYZXFQPATOTE-INIZCTEOSA-N 0 1 297.402 3.629 20 0 CHADMN C/C(=C/c1ccccc1)CNCc1ncc(C)s1 ZINC000255550029 1120378438 /nfs/dbraw/zinc/37/84/38/1120378438.db2.gz RZAZZGGDYMCHBI-WQLSENKSSA-N 0 1 258.390 3.645 20 0 CHADMN Cc1ccc2nc(CN(C)[C@@H](C)c3ccccc3)cn2c1 ZINC000078499772 1120384704 /nfs/dbraw/zinc/38/47/04/1120384704.db2.gz OWJDSFOYBKJNDH-HNNXBMFYSA-N 0 1 279.387 3.836 20 0 CHADMN CCC(CC)c1cc(CN[C@H]2C[C@H](OC)C23CCC3)on1 ZINC000453114670 1120386000 /nfs/dbraw/zinc/38/60/00/1120386000.db2.gz HBLWXSQSQLAKGW-HOTGVXAUSA-N 0 1 292.423 3.625 20 0 CHADMN C[C@@H](N[C@H]1COC(C)(C)C1)c1nc2ccccc2s1 ZINC000396593574 1120388819 /nfs/dbraw/zinc/38/88/19/1120388819.db2.gz NCDCHDHJZMPHQZ-GHMZBOCLSA-N 0 1 276.405 3.514 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1ccc(F)cc1 ZINC000078679010 1120398906 /nfs/dbraw/zinc/39/89/06/1120398906.db2.gz WACYMGUGPXGHKC-VHSXEESVSA-N 0 1 262.328 3.842 20 0 CHADMN Cc1csc(CNCc2nccc3c2CCCC3)c1 ZINC000922160661 1120399072 /nfs/dbraw/zinc/39/90/72/1120399072.db2.gz XYWHHSKJAJRZNL-UHFFFAOYSA-N 0 1 272.417 3.620 20 0 CHADMN CCc1ccc(CN(C)[C@@H](C)c2cnc(C)nc2C)cc1 ZINC000681641640 1120402408 /nfs/dbraw/zinc/40/24/08/1120402408.db2.gz OGFKHQORCBSCIF-AWEZNQCLSA-N 0 1 283.419 3.849 20 0 CHADMN Fc1ccc([C@@H]2CN([C@H]3CCc4ccccc43)CCO2)cc1 ZINC000681668662 1120403620 /nfs/dbraw/zinc/40/36/20/1120403620.db2.gz SDUJZYIQUDFWHT-OALUTQOASA-N 0 1 297.373 3.887 20 0 CHADMN [O-]c1cccc2c(N3CCC4(CC4(F)F)CC3)cc[nH+]c12 ZINC000651423994 1120406894 /nfs/dbraw/zinc/40/68/94/1120406894.db2.gz ZABSWQJLEZIZRN-UHFFFAOYSA-N 0 1 290.313 3.566 20 0 CHADMN C[C@@H](N(C)Cc1ccn(-c2ccccc2F)n1)C(C)(C)C ZINC000682082929 1120408302 /nfs/dbraw/zinc/40/83/02/1120408302.db2.gz FPESQYOJBUUFFK-CYBMUJFWSA-N 0 1 289.398 3.878 20 0 CHADMN COc1cc(C)c([C@@H](C)N(C)Cc2ccccn2)cc1C ZINC000682077911 1120408361 /nfs/dbraw/zinc/40/83/61/1120408361.db2.gz SELYBPLYDWMTJK-OAHLLOKOSA-N 0 1 284.403 3.900 20 0 CHADMN CC(C)CCC[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000682152337 1120411599 /nfs/dbraw/zinc/41/15/99/1120411599.db2.gz ZBCQKWOQFYXMGG-UHFFFAOYSA-N 0 1 289.419 3.723 20 0 CHADMN COCC1(C)CCN(Cc2nsc3ccccc32)CC1 ZINC000660169809 1120411867 /nfs/dbraw/zinc/41/18/67/1120411867.db2.gz BVKHGUGHMVKDBG-UHFFFAOYSA-N 0 1 290.432 3.545 20 0 CHADMN CCc1nc(CN(C)C[C@@H](C)c2ccccc2)cs1 ZINC000066853705 1120415170 /nfs/dbraw/zinc/41/51/70/1120415170.db2.gz FKBYDGHVWGCBHJ-CYBMUJFWSA-N 0 1 274.433 3.941 20 0 CHADMN c1csc([C@H](NCc2cc(C3CC3)no2)C2CC2)c1 ZINC000660176056 1120417009 /nfs/dbraw/zinc/41/70/09/1120417009.db2.gz UBMVHGRZUDXSMN-OAHLLOKOSA-N 0 1 274.389 3.854 20 0 CHADMN CC[C@@H](NC(=O)c1n[nH]c2ccccc21)c1ccc(C)cc1 ZINC000017841792 1120427739 /nfs/dbraw/zinc/42/77/39/1120427739.db2.gz NJWFZQKIVUVRAA-OAHLLOKOSA-N 0 1 293.370 3.752 20 0 CHADMN CC[C@@]1(NCc2csc(-c3ccsc3)n2)CCOC1 ZINC000682951877 1120431606 /nfs/dbraw/zinc/43/16/06/1120431606.db2.gz MJKYPTICCKYUPJ-CQSZACIVSA-N 0 1 294.445 3.530 20 0 CHADMN CCCOc1cc(CNCc2ccoc2C)ccc1OC ZINC000067218130 1120432944 /nfs/dbraw/zinc/43/29/44/1120432944.db2.gz UYPBZBJKVNAHQE-UHFFFAOYSA-N 0 1 289.375 3.675 20 0 CHADMN Clc1sccc1CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000682995881 1120433985 /nfs/dbraw/zinc/43/39/85/1120433985.db2.gz SOLWVRRNBUYFJG-SNVBAGLBSA-N 0 1 281.812 3.504 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H]1COCc2ccccc21 ZINC000417360385 1120436313 /nfs/dbraw/zinc/43/63/13/1120436313.db2.gz JSNKNGZNIMAHMF-SMDDNHRTSA-N 0 1 289.400 3.679 20 0 CHADMN CCC(C)(C)c1ccc(NC(=O)CCc2cnc[nH]2)cc1 ZINC000357459914 1120439135 /nfs/dbraw/zinc/43/91/35/1120439135.db2.gz YAXRLIYYHQOONA-UHFFFAOYSA-N 0 1 285.391 3.669 20 0 CHADMN COCc1csc(CN[C@H]2CSc3ccccc32)c1 ZINC000657365659 1120442173 /nfs/dbraw/zinc/44/21/73/1120442173.db2.gz DOYAOBZOAKARJP-AWEZNQCLSA-N 0 1 291.441 3.831 20 0 CHADMN CC(C)(C)c1coc(CNC2CCC(C(F)F)CC2)n1 ZINC000922181458 1120449041 /nfs/dbraw/zinc/44/90/41/1120449041.db2.gz RMFMGAIHXZGBTK-UHFFFAOYSA-N 0 1 286.366 3.886 20 0 CHADMN CC[C@H](N[C@@H](c1nnc[nH]1)c1ccccc1)c1ccccc1 ZINC000364138226 1120454537 /nfs/dbraw/zinc/45/45/37/1120454537.db2.gz KPLCZPLNNBIPFH-DLBZAZTESA-N 0 1 292.386 3.635 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000389890193 1120458505 /nfs/dbraw/zinc/45/85/05/1120458505.db2.gz KAHUJVNKJVEABB-LBTNJELSSA-N 0 1 297.398 3.943 20 0 CHADMN Cc1cccc([C@@H](C)Sc2nc(C3CC3)n[nH]2)c1 ZINC000172915263 1120461971 /nfs/dbraw/zinc/46/19/71/1120461971.db2.gz QVRIEFGUCZRPHF-SNVBAGLBSA-N 0 1 259.378 3.844 20 0 CHADMN Cc1cccc([C@@H](C)Sc2n[nH]c(C3CC3)n2)c1 ZINC000172915263 1120461974 /nfs/dbraw/zinc/46/19/74/1120461974.db2.gz QVRIEFGUCZRPHF-SNVBAGLBSA-N 0 1 259.378 3.844 20 0 CHADMN Cc1cccc2c1OCC[C@H]2NCc1c[nH]nc1C(C)(C)C ZINC000188881950 1120466623 /nfs/dbraw/zinc/46/66/23/1120466623.db2.gz RTFZUDYRFGNEEW-OAHLLOKOSA-N 0 1 299.418 3.629 20 0 CHADMN C[C@@H](NCc1ncsc1Br)C1CCCC1 ZINC000660267253 1120474705 /nfs/dbraw/zinc/47/47/05/1120474705.db2.gz LUZBPJBMPBQMFJ-MRVPVSSYSA-N 0 1 289.242 3.574 20 0 CHADMN CCc1nc([C@@H](C)NC[C@@H](OC)C2CCCCC2)cs1 ZINC000660267445 1120474710 /nfs/dbraw/zinc/47/47/10/1120474710.db2.gz NQOUDOYTXTWYFK-IUODEOHRSA-N 0 1 296.480 3.951 20 0 CHADMN FC1(F)CCN([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168714617 1120478642 /nfs/dbraw/zinc/47/86/42/1120478642.db2.gz CWNDNLNHMPBDKM-NSHDSACASA-N 0 1 271.738 3.538 20 0 CHADMN CC(C)c1cccc(CN[C@@H](CCO)c2ccco2)c1 ZINC000660296446 1120487474 /nfs/dbraw/zinc/48/74/74/1120487474.db2.gz AKZGRORBSWPDQR-INIZCTEOSA-N 0 1 273.376 3.616 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(-c2c(C)nsc2C)no1 ZINC000843235255 1120489449 /nfs/dbraw/zinc/48/94/49/1120489449.db2.gz AORPWFLNATWRFK-SNVBAGLBSA-N 0 1 294.424 3.507 20 0 CHADMN Cc1ncc(C(=O)N(CC(C)C)[C@H](C)c2ccccc2C)[nH]1 ZINC000673460361 1120496994 /nfs/dbraw/zinc/49/69/94/1120496994.db2.gz FVXLUZGJUNYZID-CQSZACIVSA-N 0 1 299.418 3.886 20 0 CHADMN Cc1ncc([C@@H](C)N(Cc2ccco2)C(C)C)c(C)n1 ZINC000637894796 1129234923 /nfs/dbraw/zinc/23/49/23/1129234923.db2.gz IQCOOQZPCAJYJY-CYBMUJFWSA-N 0 1 273.380 3.658 20 0 CHADMN CC[C@H](C)N1CCc2cccc(Br)c2C1 ZINC000500074294 1120503841 /nfs/dbraw/zinc/50/38/41/1120503841.db2.gz JRBUXZPPPSKHFL-JTQLQIEISA-N 0 1 268.198 3.606 20 0 CHADMN Clc1ccnc2c1CC[C@H]2N[C@H](c1cccnc1)C1CC1 ZINC000925642361 1120506365 /nfs/dbraw/zinc/50/63/65/1120506365.db2.gz GINLJZZICFOOGS-CVEARBPZSA-N 0 1 299.805 3.858 20 0 CHADMN C[C@H](NCc1cccc2c1OCC2)c1cc2cnccc2o1 ZINC000922320936 1120510867 /nfs/dbraw/zinc/51/08/67/1120510867.db2.gz QSBGHDRQXMWERC-LBPRGKRZSA-N 0 1 294.354 3.614 20 0 CHADMN C[C@@H](N[C@H](c1cccnc1)C1CC1)c1ccnn1C1CCC1 ZINC000925647452 1120513133 /nfs/dbraw/zinc/51/31/33/1120513133.db2.gz ZEBYRMOWEPWGPX-ACJLOTCBSA-N 0 1 296.418 3.805 20 0 CHADMN C[C@H]1CCc2ccccc2[C@H]1NCc1cnc(C2CC2)o1 ZINC000651470722 1120519647 /nfs/dbraw/zinc/51/96/47/1120519647.db2.gz CSPNMJDPVSDVLE-SJCJKPOMSA-N 0 1 282.387 3.965 20 0 CHADMN CCC[C@@H]1CCCN(CC(=O)Nc2ccccc2CC)C1 ZINC000466485780 1120523199 /nfs/dbraw/zinc/52/31/99/1120523199.db2.gz AABLBACTZDTOJE-OAHLLOKOSA-N 0 1 288.435 3.700 20 0 CHADMN c1csc([C@H](Cc2ccccc2)NCc2ccno2)c1 ZINC000543450421 1120526819 /nfs/dbraw/zinc/52/68/19/1120526819.db2.gz GVUJLKXGKBDYQE-HNNXBMFYSA-N 0 1 284.384 3.810 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@H]2c3ccccc3CC[C@@H]2C)nn1 ZINC000925658433 1120529329 /nfs/dbraw/zinc/52/93/29/1120529329.db2.gz UCIRXQSTTGKKQS-SUNYJGFJSA-N 0 1 298.434 3.833 20 0 CHADMN CC(C)N(CC(=O)c1cccn1C)[C@@H](C)c1ccccc1 ZINC000428852473 1120537847 /nfs/dbraw/zinc/53/78/47/1120537847.db2.gz WFABGFZCOAVVTQ-HNNXBMFYSA-N 0 1 284.403 3.679 20 0 CHADMN C[C@@H](CCc1ccccc1)N[C@H]1CCCC1(F)F ZINC000397972500 1120538411 /nfs/dbraw/zinc/53/84/11/1120538411.db2.gz UJLRFIGUHPZWFF-JSGCOSHPSA-N 0 1 253.336 3.785 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc2ccccc2n1C)c1ccccc1 ZINC000019878651 1120542720 /nfs/dbraw/zinc/54/27/20/1120542720.db2.gz WXSSEEWUJPITGM-KGLIPLIRSA-N 0 1 279.387 3.985 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccccc2)c(OC)c1 ZINC000019899643 1120546017 /nfs/dbraw/zinc/54/60/17/1120546017.db2.gz IPRQQXOEQZFRMQ-CYBMUJFWSA-N 0 1 271.360 3.555 20 0 CHADMN CC[C@H](N[C@H]1CCCc2nn(C)cc21)c1ccccc1F ZINC000282361829 1120546938 /nfs/dbraw/zinc/54/69/38/1120546938.db2.gz HSWBHFVNKAGRHK-HOTGVXAUSA-N 0 1 287.382 3.678 20 0 CHADMN COc1ccc(CC[C@@H](C)N[C@@H]2CCCC2(F)F)cc1 ZINC000398001372 1120549127 /nfs/dbraw/zinc/54/91/27/1120549127.db2.gz WGWLUQBEEHCYAW-IUODEOHRSA-N 0 1 283.362 3.794 20 0 CHADMN CC(C)(C)c1ccc(CNCc2ccccn2)cc1 ZINC000019956897 1120551575 /nfs/dbraw/zinc/55/15/75/1120551575.db2.gz RZDLHVNDRZPGCR-UHFFFAOYSA-N 0 1 254.377 3.669 20 0 CHADMN Cc1cc(CO)cc(C)c1CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000922561836 1120551536 /nfs/dbraw/zinc/55/15/36/1120551536.db2.gz WKTUOZUSEWBLBG-YOEHRIQHSA-N 0 1 299.414 3.802 20 0 CHADMN C[C@@H]1CCCC[N@H+]1CCCNc1cc(F)ccc1[S-] ZINC001167754311 1120552110 /nfs/dbraw/zinc/55/21/10/1120552110.db2.gz RUIVUDKQAYQNLV-GFCCVEGCSA-N 0 1 282.428 3.791 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](c1ccccn1)C1CC1 ZINC000922584224 1120557027 /nfs/dbraw/zinc/55/70/27/1120557027.db2.gz FFFXHWXNNXCAAC-GOSISDBHSA-N 0 1 282.387 3.640 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccn2)C2CC2)cs1 ZINC000922584131 1120557171 /nfs/dbraw/zinc/55/71/71/1120557171.db2.gz BPEDLFAFWGBYLI-OAHLLOKOSA-N 0 1 258.390 3.692 20 0 CHADMN Fc1cc(F)cc(CN[C@H](c2ccccn2)C2CC2)c1 ZINC000922584187 1120557237 /nfs/dbraw/zinc/55/72/37/1120557237.db2.gz DKOVLIGXRIZNMM-INIZCTEOSA-N 0 1 274.314 3.601 20 0 CHADMN c1ccc([C@H](NCc2nccc3ccccc32)C2CC2)nc1 ZINC000922586637 1120557962 /nfs/dbraw/zinc/55/79/62/1120557962.db2.gz PIHJRQXBYQVZTL-LJQANCHMSA-N 0 1 289.382 3.871 20 0 CHADMN Cc1ccc(CN[C@H](c2ccccn2)C2CC2)cc1F ZINC000922586963 1120557974 /nfs/dbraw/zinc/55/79/74/1120557974.db2.gz UTVZJWAWYGSNAP-KRWDZBQOSA-N 0 1 270.351 3.770 20 0 CHADMN c1nc(C2CC2)c(CN[C@@H](c2ccccn2)C2CC2)s1 ZINC000922586093 1120558699 /nfs/dbraw/zinc/55/86/99/1120558699.db2.gz VQZGCAHOEBNTKZ-OAHLLOKOSA-N 0 1 285.416 3.656 20 0 CHADMN CC1(C)CCN(Cc2nc(C3CC3)no2)CC(C)(C)C1 ZINC000661624684 1120563625 /nfs/dbraw/zinc/56/36/25/1120563625.db2.gz BAYKEGLFNYFEOZ-UHFFFAOYSA-N 0 1 277.412 3.595 20 0 CHADMN CC[C@@H](NCc1cccc(O)c1)c1cc(F)ccc1OC ZINC000922620804 1120564515 /nfs/dbraw/zinc/56/45/15/1120564515.db2.gz YEMIPZGRPUGOEV-MRXNPFEDSA-N 0 1 289.350 3.781 20 0 CHADMN CC[C@@H](NCc1ccncc1C)c1cc(F)ccc1OC ZINC000922624253 1120565994 /nfs/dbraw/zinc/56/59/94/1120565994.db2.gz XFDFSZQSNIIRLS-MRXNPFEDSA-N 0 1 288.366 3.779 20 0 CHADMN CC(C)(/C=C\Cl)NCc1cnc([C@H]2CCCO2)s1 ZINC000922647457 1120571846 /nfs/dbraw/zinc/57/18/46/1120571846.db2.gz CIBJFJLUFDRDNL-ISALQUGTSA-N 0 1 286.828 3.615 20 0 CHADMN CC1(C)[C@@H](C(F)(F)F)CCN1Cc1cc(C2CC2)no1 ZINC000660388177 1120572265 /nfs/dbraw/zinc/57/22/65/1120572265.db2.gz JTFJTEAONONWQO-LBPRGKRZSA-N 0 1 288.313 3.715 20 0 CHADMN CSC[C@H](C)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343866023 1120572372 /nfs/dbraw/zinc/57/23/72/1120572372.db2.gz SHTZWBCAGBWPMI-BQBZGAKWSA-N 0 1 284.372 3.564 20 0 CHADMN Cn1cnc(CN[C@@H](CC2CCCC2)c2ccccc2)c1 ZINC000673605328 1120573432 /nfs/dbraw/zinc/57/34/32/1120573432.db2.gz PEUOHEUHNAXDGD-SFHVURJKSA-N 0 1 283.419 3.831 20 0 CHADMN FC1(F)C[C@@]12CCN(Cc1cscc1Cl)C2 ZINC000652063340 1120574998 /nfs/dbraw/zinc/57/49/98/1120574998.db2.gz JPERLAWQTCZZIW-SNVBAGLBSA-N 0 1 263.740 3.633 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1ccoc1)[C@@H]2C ZINC000781928184 1120576193 /nfs/dbraw/zinc/57/61/93/1120576193.db2.gz UGHBVWQLHCFHRR-QWHCGFSZSA-N 0 1 271.360 3.796 20 0 CHADMN CCc1cc(CN[C@H](C)c2ccc(F)c(Cl)c2)[nH]n1 ZINC000765995645 1120577048 /nfs/dbraw/zinc/57/70/48/1120577048.db2.gz WMSGZFICWFEVOH-SECBINFHSA-N 0 1 281.762 3.615 20 0 CHADMN CCc1cc(CN[C@H](C)c2ccc(F)c(Cl)c2)n[nH]1 ZINC000765995645 1120577049 /nfs/dbraw/zinc/57/70/49/1120577049.db2.gz WMSGZFICWFEVOH-SECBINFHSA-N 0 1 281.762 3.615 20 0 CHADMN COc1ccc(CNCc2cc3ccccc3o2)cc1 ZINC000020088413 1120581673 /nfs/dbraw/zinc/58/16/73/1120581673.db2.gz YITWFKUUYYWVDQ-UHFFFAOYSA-N 0 1 267.328 3.731 20 0 CHADMN C[C@@H](NCc1ccccn1)c1ccc2c(c1)CCCC2 ZINC000020091749 1120583465 /nfs/dbraw/zinc/58/34/65/1120583465.db2.gz KTICBAXFZHAATM-CQSZACIVSA-N 0 1 266.388 3.811 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@@H](C)c1cccnc1 ZINC000020096772 1120584732 /nfs/dbraw/zinc/58/47/32/1120584732.db2.gz PCWWZILKUKXXTQ-QWHCGFSZSA-N 0 1 256.349 3.502 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H](C)c1cccnc1 ZINC000020096774 1120584798 /nfs/dbraw/zinc/58/47/98/1120584798.db2.gz PCWWZILKUKXXTQ-STQMWFEESA-N 0 1 256.349 3.502 20 0 CHADMN CC[C@@H]1CCC[C@H]1NCc1ncsc1Br ZINC000660411169 1120586928 /nfs/dbraw/zinc/58/69/28/1120586928.db2.gz VDWZGVPNZWVREE-RKDXNWHRSA-N 0 1 289.242 3.574 20 0 CHADMN Cc1nc(CN(C)[C@H](C)Cc2ccccc2C)c(C)o1 ZINC000660424363 1120594334 /nfs/dbraw/zinc/59/43/34/1120594334.db2.gz DPUZAHMSGKAHME-CYBMUJFWSA-N 0 1 272.392 3.663 20 0 CHADMN Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(C2CC2)no1 ZINC000660425768 1120595594 /nfs/dbraw/zinc/59/55/94/1120595594.db2.gz ITXYEYDKAOPLNY-AWEZNQCLSA-N 0 1 284.403 3.923 20 0 CHADMN CCc1cc(CN[C@H](C)c2cccc(C(F)(F)F)c2)[nH]n1 ZINC000766000307 1120597767 /nfs/dbraw/zinc/59/77/67/1120597767.db2.gz DOOIYQOQAVVWCP-SNVBAGLBSA-N 0 1 297.324 3.842 20 0 CHADMN CC[C@@H](CN[C@@H]1CCCC1(F)F)c1ccccc1 ZINC000673618479 1120601207 /nfs/dbraw/zinc/60/12/07/1120601207.db2.gz JXGSLEDSCJFRIQ-GXTWGEPZSA-N 0 1 253.336 3.958 20 0 CHADMN CCc1nnc([C@H](C)N2C[C@@H](c3ccc(C)cc3)C[C@H]2C)[nH]1 ZINC000660430490 1120602321 /nfs/dbraw/zinc/60/23/21/1120602321.db2.gz ASZNXUKDUDMNNA-YCPHGPKFSA-N 0 1 298.434 3.615 20 0 CHADMN CCCCCOc1cc(CN[C@H](C)CF)ccc1OC ZINC000673619147 1120602899 /nfs/dbraw/zinc/60/28/99/1120602899.db2.gz JJMXCSRUTYMKHH-CYBMUJFWSA-N 0 1 283.387 3.712 20 0 CHADMN C[C@@H]1C[C@@H](NCc2ncc(C(F)(F)F)s2)CCS1 ZINC000922835989 1120606917 /nfs/dbraw/zinc/60/69/17/1120606917.db2.gz HEGIIFZMQXIVRN-SFYZADRCSA-N 0 1 296.383 3.536 20 0 CHADMN Fc1ccc([C@H]2CCN(Cc3ccncc3Cl)C2)cc1 ZINC000473062177 1120611309 /nfs/dbraw/zinc/61/13/09/1120611309.db2.gz XBRLCOVDRPEQCS-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN FC(F)c1ccc(CN[C@@H]2CCCc3cccnc32)cn1 ZINC000922878453 1120615755 /nfs/dbraw/zinc/61/57/55/1120615755.db2.gz VMWQKULKKRMSJE-CYBMUJFWSA-N 0 1 289.329 3.581 20 0 CHADMN c1nc(C2CC2)c(CN[C@@H]2CCCc3cccnc32)s1 ZINC000922878305 1120615774 /nfs/dbraw/zinc/61/57/74/1120615774.db2.gz ITBYEDQJJOJAMS-CYBMUJFWSA-N 0 1 285.416 3.583 20 0 CHADMN c1c2ccccc2[nH]c1CN[C@@H]1CCCc2cccnc21 ZINC000922878642 1120616212 /nfs/dbraw/zinc/61/62/12/1120616212.db2.gz PVTDIHYWVPLBKT-QGZVFWFLSA-N 0 1 277.371 3.730 20 0 CHADMN Cc1nc(-c2ccc(CN(C)C)c(F)c2)sc1C ZINC000629709207 1128928625 /nfs/dbraw/zinc/92/86/25/1128928625.db2.gz QJLYIQQRJHMKLS-UHFFFAOYSA-N 0 1 264.369 3.628 20 0 CHADMN COc1cc(C)c(-c2ccc([C@H]3COCCN3)cc2)cc1C ZINC000629710489 1128928944 /nfs/dbraw/zinc/92/89/44/1128928944.db2.gz HACJUZMGKCPLFI-GOSISDBHSA-N 0 1 297.398 3.640 20 0 CHADMN CCN(CC)[C@H](CNC(=O)C(C)(CC)CC)c1ccco1 ZINC000158829715 1120623433 /nfs/dbraw/zinc/62/34/33/1120623433.db2.gz FYUJAHQCHGCUMF-CQSZACIVSA-N 0 1 294.439 3.605 20 0 CHADMN CCOc1ccccc1[C@@H](CC(C)C)NCc1cn[nH]c1 ZINC000673629815 1120624615 /nfs/dbraw/zinc/62/46/15/1120624615.db2.gz RBTUQPXROPUFBT-MRXNPFEDSA-N 0 1 287.407 3.685 20 0 CHADMN C[C@H](C1CC1)[N@@H+](C)Cc1coc(-c2ccccc2F)n1 ZINC000625061214 1120627194 /nfs/dbraw/zinc/62/71/94/1120627194.db2.gz MJVFXSUTGIHINK-LLVKDONJSA-N 0 1 274.339 3.711 20 0 CHADMN CCOc1ccc(CN[C@H]2CCCc3cccnc32)c(C)c1 ZINC000922885313 1120627883 /nfs/dbraw/zinc/62/78/83/1120627883.db2.gz NRAQXGLZNJGSKP-SFHVURJKSA-N 0 1 296.414 3.956 20 0 CHADMN CC1(CN2CCCC[C@@H]2c2ccc(F)cc2F)COC1 ZINC000432038019 1120629777 /nfs/dbraw/zinc/62/97/77/1120629777.db2.gz HPHYPNWSBUYAKI-OAHLLOKOSA-N 0 1 281.346 3.528 20 0 CHADMN COc1cccc(CN2CCC=C(C)C2)c1Cl ZINC000660462469 1120630466 /nfs/dbraw/zinc/63/04/66/1120630466.db2.gz OPPWEIYLIUEUES-UHFFFAOYSA-N 0 1 251.757 3.501 20 0 CHADMN c1ccc(-c2cnc(CN[C@@H]3CCC34CCC4)nc2)cc1 ZINC000282410842 1120630792 /nfs/dbraw/zinc/63/07/92/1120630792.db2.gz CHGRAXLFKUBEML-MRXNPFEDSA-N 0 1 279.387 3.566 20 0 CHADMN c1ccc(-c2nnc(CN[C@@H]3CCC34CCC4)s2)cc1 ZINC000282411543 1120630812 /nfs/dbraw/zinc/63/08/12/1120630812.db2.gz YGAGDGGPLPFKOA-CYBMUJFWSA-N 0 1 285.416 3.627 20 0 CHADMN CC[C@H](CC(F)F)C[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000660463940 1120631611 /nfs/dbraw/zinc/63/16/11/1120631611.db2.gz JVVZXNCMOVDULX-TZMCWYRMSA-N 0 1 285.382 3.629 20 0 CHADMN CCCN(CC)Cc1coc(-c2ccccc2F)n1 ZINC000625109799 1120635319 /nfs/dbraw/zinc/63/53/19/1120635319.db2.gz UDSIBRSMRSBNIJ-UHFFFAOYSA-N 0 1 262.328 3.713 20 0 CHADMN CC(C)CN(C)Cc1coc(-c2ccccc2F)n1 ZINC000625109992 1120635457 /nfs/dbraw/zinc/63/54/57/1120635457.db2.gz XENSADKSZFHOAA-UHFFFAOYSA-N 0 1 262.328 3.569 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCOc2cccc(F)c2C1 ZINC000660485240 1120638009 /nfs/dbraw/zinc/63/80/09/1120638009.db2.gz ULZBYQXROZANFY-NSHDSACASA-N 0 1 287.325 3.702 20 0 CHADMN COc1cc(CN2CC[C@H](C)C2)cc(C(F)(F)F)c1 ZINC001143511858 1120640297 /nfs/dbraw/zinc/64/02/97/1120640297.db2.gz OFUHVVUPVOWWCL-JTQLQIEISA-N 0 1 273.298 3.556 20 0 CHADMN FC(F)(F)c1ncccc1CN1CC[C@@H](c2ccco2)C1 ZINC000625158685 1120641609 /nfs/dbraw/zinc/64/16/09/1120641609.db2.gz HJHWQUAGTUBGHP-LLVKDONJSA-N 0 1 296.292 3.683 20 0 CHADMN CC[C@H]1CCN(Cc2coc(-c3ccccc3F)n2)C1 ZINC000625225020 1120648285 /nfs/dbraw/zinc/64/82/85/1120648285.db2.gz OUOVXFGGYSYJED-LBPRGKRZSA-N 0 1 274.339 3.713 20 0 CHADMN Cc1ccoc1CNCc1ccc2[nH]c(C)c(C)c2c1 ZINC000343870613 1120649901 /nfs/dbraw/zinc/64/99/01/1120649901.db2.gz QRZFMLULFLKHTN-UHFFFAOYSA-N 0 1 268.360 3.976 20 0 CHADMN CC[C@H](C)N(CC)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000616978870 1120651395 /nfs/dbraw/zinc/65/13/95/1120651395.db2.gz IICGDNPMZFNBKL-LBPRGKRZSA-N 0 1 277.412 3.718 20 0 CHADMN CCO[C@@H](CN[C@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000625227580 1120651680 /nfs/dbraw/zinc/65/16/80/1120651680.db2.gz HZEOJNJZJCNJQV-RBUKOAKNSA-N 0 1 296.414 3.576 20 0 CHADMN FC(F)c1ccccc1-c1ccc([C@@H]2COCCN2)cc1 ZINC000629733865 1128930892 /nfs/dbraw/zinc/93/08/92/1128930892.db2.gz DLAQJXPNYARIER-INIZCTEOSA-N 0 1 289.325 3.952 20 0 CHADMN COCc1ccccc1/C=C(/C)CNc1cc(OC)ccn1 ZINC000511840260 1120661421 /nfs/dbraw/zinc/66/14/21/1120661421.db2.gz AXKRPEXRAPDLBB-UVTDQMKNSA-N 0 1 298.386 3.752 20 0 CHADMN CC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000511847489 1120661787 /nfs/dbraw/zinc/66/17/87/1120661787.db2.gz ZHEYNMDVGXHQTK-SMDDNHRTSA-N 0 1 287.325 3.705 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000511847489 1120661789 /nfs/dbraw/zinc/66/17/89/1120661789.db2.gz ZHEYNMDVGXHQTK-SMDDNHRTSA-N 0 1 287.325 3.705 20 0 CHADMN COc1cncc(CN[C@H](c2cccc(C)c2)C(C)(C)C)n1 ZINC000625299019 1120663567 /nfs/dbraw/zinc/66/35/67/1120663567.db2.gz BXOWZGOWAXIUIM-QGZVFWFLSA-N 0 1 299.418 3.671 20 0 CHADMN COc1cncc(CN[C@@H](c2cccc(C)c2)C(C)(C)C)n1 ZINC000625299018 1120664018 /nfs/dbraw/zinc/66/40/18/1120664018.db2.gz BXOWZGOWAXIUIM-KRWDZBQOSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1cc(F)c(-c2cccc([C@@H]3COCCN3)c2)c(F)c1 ZINC000629739768 1128932004 /nfs/dbraw/zinc/93/20/04/1128932004.db2.gz JEEZGOVMKASBMN-INIZCTEOSA-N 0 1 289.325 3.601 20 0 CHADMN CCc1noc(CN2CC[C@@H](c3ccccc3)[C@H](CC)C2)n1 ZINC000673755118 1120668434 /nfs/dbraw/zinc/66/84/34/1120668434.db2.gz SPVUEGGWTMPPGN-GDBMZVCRSA-N 0 1 299.418 3.648 20 0 CHADMN Clc1ccc2nc(CN3CCC[C@@H]4CCC[C@H]43)cn2c1 ZINC000511860042 1120670636 /nfs/dbraw/zinc/67/06/36/1120670636.db2.gz OWLDEEAEBINUBQ-SWLSCSKDSA-N 0 1 289.810 3.752 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](c3ccccn3)C2)nc1 ZINC000660627730 1120670751 /nfs/dbraw/zinc/67/07/51/1120670751.db2.gz WOAUNAXAKNXSPS-CYBMUJFWSA-N 0 1 287.794 3.510 20 0 CHADMN C[C@H](N[C@H]1CCCn2nccc21)c1ccc(Cl)c(F)c1 ZINC000657935508 1120672916 /nfs/dbraw/zinc/67/29/16/1120672916.db2.gz DLLDGMUWOFPKKO-HZMBPMFUSA-N 0 1 293.773 3.861 20 0 CHADMN Cc1ccc2sc(CN3CCSC[C@H](C)C3)nc2c1 ZINC000625374004 1120673954 /nfs/dbraw/zinc/67/39/54/1120673954.db2.gz WDGRIXUCNADJLH-GFCCVEGCSA-N 0 1 292.473 3.790 20 0 CHADMN Brc1cnccc1CN(CC1CC1)C1CCC1 ZINC000625386938 1120675006 /nfs/dbraw/zinc/67/50/06/1120675006.db2.gz HUXKFPAERLPYQB-UHFFFAOYSA-N 0 1 295.224 3.609 20 0 CHADMN CC[C@H]1CCCN(Cc2cn3cc(Cl)ccc3n2)C1 ZINC000642330140 1120675232 /nfs/dbraw/zinc/67/52/32/1120675232.db2.gz IQEZTQJWVKGZLE-LBPRGKRZSA-N 0 1 277.799 3.610 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@H](C)c1ccccc1N(C)C ZINC000093945242 1120676512 /nfs/dbraw/zinc/67/65/12/1120676512.db2.gz WWEZVXBABOBZEB-NEPJUHHUSA-N 0 1 287.407 3.769 20 0 CHADMN OCCC1(NCc2csc(C3CCCC3)n2)CCCC1 ZINC000660679030 1120676605 /nfs/dbraw/zinc/67/66/05/1120676605.db2.gz VCRZPIXVWDJFKY-UHFFFAOYSA-N 0 1 294.464 3.586 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1ccccc1N(C)C ZINC000093945239 1120676660 /nfs/dbraw/zinc/67/66/60/1120676660.db2.gz WWEZVXBABOBZEB-NWDGAFQWSA-N 0 1 287.407 3.769 20 0 CHADMN CC1(C)CN([C@H]2Cc3cccc(Cl)c3C2)CC(C)(C)O1 ZINC001168742882 1120676836 /nfs/dbraw/zinc/67/68/36/1120676836.db2.gz IJFBPIMMLSNCCO-ZDUSSCGKSA-N 0 1 293.838 3.697 20 0 CHADMN CCOCCC[N@@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660708951 1120680457 /nfs/dbraw/zinc/68/04/57/1120680457.db2.gz DJNVBHCPJOHICB-LLVKDONJSA-N 0 1 295.814 3.636 20 0 CHADMN CCOCCCN(C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660708951 1120680470 /nfs/dbraw/zinc/68/04/70/1120680470.db2.gz DJNVBHCPJOHICB-LLVKDONJSA-N 0 1 295.814 3.636 20 0 CHADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]C[C@@H](C)C2CCCCC2)n1 ZINC000660749689 1120684194 /nfs/dbraw/zinc/68/41/94/1120684194.db2.gz NEAFKTAMNYMSEQ-GFCCVEGCSA-N 0 1 291.439 3.532 20 0 CHADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]CC[C@@H]2CCC[C@@H](C)C2)n1 ZINC000660749589 1120684614 /nfs/dbraw/zinc/68/46/14/1120684614.db2.gz YMKIEHVEIKDFID-OCCSQVGLSA-N 0 1 291.439 3.532 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccc(F)cc2C)nc(C)n1 ZINC000660753737 1120684713 /nfs/dbraw/zinc/68/47/13/1120684713.db2.gz KOTDMBAVHQBYIP-GOSISDBHSA-N 0 1 299.393 3.878 20 0 CHADMN Cc1nc(CN(C(C)C)C2CC(C)(C)C2)c(C)o1 ZINC000660763292 1120685288 /nfs/dbraw/zinc/68/52/88/1120685288.db2.gz SMHUSUKKZAVHTO-UHFFFAOYSA-N 0 1 250.386 3.690 20 0 CHADMN Oc1ccc(Cl)c(CN2CCC[C@]3(CCSC3)C2)c1 ZINC000625463179 1120685962 /nfs/dbraw/zinc/68/59/62/1120685962.db2.gz DLCJRADNUGVXOC-HNNXBMFYSA-N 0 1 297.851 3.765 20 0 CHADMN CCC[C@H](C)CCC[NH2+]C(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000625462200 1120686159 /nfs/dbraw/zinc/68/61/59/1120686159.db2.gz UGPZTFLKOIHIFO-LBPRGKRZSA-N 0 1 279.428 3.532 20 0 CHADMN C[C@@H](NCCSc1cccc(Cl)c1)c1ccn(C)n1 ZINC000660781563 1120687928 /nfs/dbraw/zinc/68/79/28/1120687928.db2.gz VAZWKFKGJMUSFC-LLVKDONJSA-N 0 1 295.839 3.516 20 0 CHADMN Cc1nc(F)ccc1CNCc1coc2ccccc12 ZINC000785470282 1120700833 /nfs/dbraw/zinc/70/08/33/1120700833.db2.gz ZQNRAHNDVDYZQR-UHFFFAOYSA-N 0 1 270.307 3.565 20 0 CHADMN COC(=O)c1cccc(Cl)c1CN1CC[C@@H]2CCC[C@@H]21 ZINC000509178873 1120701695 /nfs/dbraw/zinc/70/16/95/1120701695.db2.gz MOKHLJGMJVXLEE-NHYWBVRUSA-N 0 1 293.794 3.501 20 0 CHADMN Cc1cccc(NC(=O)[C@@H](C)N2C[C@@H]3CCCC[C@@H]32)c1C ZINC000660927898 1120703155 /nfs/dbraw/zinc/70/31/55/1120703155.db2.gz IKIPREZGKRVUOP-VYDXJSESSA-N 0 1 286.419 3.505 20 0 CHADMN Fc1cc(-c2ncco2)ccc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660935332 1120705152 /nfs/dbraw/zinc/70/51/52/1120705152.db2.gz ZVDPNSLXRLKZNP-HOCLYGCPSA-N 0 1 286.350 3.855 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@@H](C)CC1 ZINC000253613416 1128934650 /nfs/dbraw/zinc/93/46/50/1128934650.db2.gz XJLVFJHYEWKXAU-CHWSQXEVSA-N 0 1 285.391 3.518 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000253555023 1128934690 /nfs/dbraw/zinc/93/46/90/1128934690.db2.gz AGZDRFGBRNXSKC-MGPQQGTHSA-N 0 1 299.418 3.764 20 0 CHADMN Cc1cc(C[N@H+](C)[C@@H](C)c2ccccn2)c2c(n1)CCCC2 ZINC000893420373 1120716002 /nfs/dbraw/zinc/71/60/02/1120716002.db2.gz HECUJDXESWEZKM-HNNXBMFYSA-N 0 1 295.430 3.857 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccccn2)c2c(n1)CCCC2 ZINC000893420373 1120716009 /nfs/dbraw/zinc/71/60/09/1120716009.db2.gz HECUJDXESWEZKM-HNNXBMFYSA-N 0 1 295.430 3.857 20 0 CHADMN CCC[C@H](NCc1cc2cnccc2o1)c1ccccn1 ZINC000651703713 1120719050 /nfs/dbraw/zinc/71/90/50/1120719050.db2.gz JGXYODLPTFRIKW-HNNXBMFYSA-N 0 1 281.359 3.854 20 0 CHADMN CCN(C(=O)c1cccc2n[nH]cc21)[C@H]1CCCC[C@H]1C ZINC000066674870 1120727022 /nfs/dbraw/zinc/72/70/22/1120727022.db2.gz ORTZXNLFDFYCKG-WBMJQRKESA-N 0 1 285.391 3.604 20 0 CHADMN CCc1cccc(CNCc2nc3ccccc3n2CC)c1 ZINC000651762068 1120738054 /nfs/dbraw/zinc/73/80/54/1120738054.db2.gz YDXWEWCJCTTXJN-UHFFFAOYSA-N 0 1 293.414 3.908 20 0 CHADMN Fc1cncc(C[N@H+]2CCCC3(CCCC3)CC2)c1 ZINC000661231679 1120741780 /nfs/dbraw/zinc/74/17/80/1120741780.db2.gz RHWWAENQIBAOJG-UHFFFAOYSA-N 0 1 262.372 3.767 20 0 CHADMN C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1cc2cnccc2o1 ZINC000651821199 1120754598 /nfs/dbraw/zinc/75/45/98/1120754598.db2.gz HGDWEKNQBPEGAO-PWSUYJOCSA-N 0 1 298.308 3.991 20 0 CHADMN Cc1ccc2c(c1)C[N@@H+]([C@@H](C)c1cccnc1)CC2 ZINC000661374652 1120757041 /nfs/dbraw/zinc/75/70/41/1120757041.db2.gz CTUMFTHIOSGCOJ-AWEZNQCLSA-N 0 1 252.361 3.509 20 0 CHADMN Cc1ccc2c(c1)CN([C@@H](C)c1cccnc1)CC2 ZINC000661374652 1120757046 /nfs/dbraw/zinc/75/70/46/1120757046.db2.gz CTUMFTHIOSGCOJ-AWEZNQCLSA-N 0 1 252.361 3.509 20 0 CHADMN Clc1ccc(CN2CCC(C3CCC3)CC2)nc1 ZINC000661375937 1120757298 /nfs/dbraw/zinc/75/72/98/1120757298.db2.gz BTQHHBIEXKEXRS-UHFFFAOYSA-N 0 1 264.800 3.747 20 0 CHADMN c1ccc2c(c1)-c1ccccc1C2Nc1nccc2nn[nH]c21 ZINC001167777846 1120757389 /nfs/dbraw/zinc/75/73/89/1120757389.db2.gz NTAIIBXMWBMGSH-UHFFFAOYSA-N 0 1 299.337 3.535 20 0 CHADMN Fc1ccc2nc(CN3CCC34CCCC4)sc2c1 ZINC000651873779 1120767974 /nfs/dbraw/zinc/76/79/74/1120767974.db2.gz WAAFOMMSUKXNNH-UHFFFAOYSA-N 0 1 276.380 3.954 20 0 CHADMN C[N@H+](Cc1cc(F)cc2c1OCOC2)CC1CCCCC1 ZINC000045748469 1120768072 /nfs/dbraw/zinc/76/80/72/1120768072.db2.gz UMWVBPPJYNZNKE-UHFFFAOYSA-N 0 1 293.382 3.704 20 0 CHADMN CC(C)c1nc(CN2CCC23CCCC3)c2ccccn21 ZINC000651873104 1120768677 /nfs/dbraw/zinc/76/86/77/1120768677.db2.gz RQZJTMHOAGNCLE-UHFFFAOYSA-N 0 1 283.419 3.976 20 0 CHADMN Cc1cc(CN2CC3(CCC3)OC[C@@H]2C)c2ccccc2n1 ZINC000661469083 1120769053 /nfs/dbraw/zinc/76/90/53/1120769053.db2.gz ZSKDVCDNHQFWGE-HNNXBMFYSA-N 0 1 296.414 3.687 20 0 CHADMN Cc1nocc1CN(C)[C@H](C)CSc1ccccc1 ZINC000651875761 1120769546 /nfs/dbraw/zinc/76/95/46/1120769546.db2.gz CNPAVVDEGIUEJF-GFCCVEGCSA-N 0 1 276.405 3.596 20 0 CHADMN COc1ccc(CN[C@@H](c2ccccc2F)C(C)C)nc1 ZINC000661484491 1120769796 /nfs/dbraw/zinc/76/97/96/1120769796.db2.gz LEQBSBLZAGYKDV-QGZVFWFLSA-N 0 1 288.366 3.716 20 0 CHADMN Cc1cccc(CN2CC3(CCOCC3)[C@@H]2c2ccco2)c1 ZINC000661560062 1120778831 /nfs/dbraw/zinc/77/88/31/1120778831.db2.gz FHAPGKNFHKTYIV-SFHVURJKSA-N 0 1 297.398 3.942 20 0 CHADMN CCC[N@@H+](CCc1cccc(F)c1)[C@@H](C)c1nc(C)no1 ZINC000662891964 1120781503 /nfs/dbraw/zinc/78/15/03/1120781503.db2.gz NAXLTQBRYCJHMU-LBPRGKRZSA-N 0 1 291.370 3.533 20 0 CHADMN CCCN(CCc1cccc(F)c1)[C@@H](C)c1nc(C)no1 ZINC000662891964 1120781505 /nfs/dbraw/zinc/78/15/05/1120781505.db2.gz NAXLTQBRYCJHMU-LBPRGKRZSA-N 0 1 291.370 3.533 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@H](C3CCCCC3)C2)n1 ZINC000661582895 1120783084 /nfs/dbraw/zinc/78/30/84/1120783084.db2.gz GWYQMFPTMSFAFV-JSGCOSHPSA-N 0 1 277.412 3.595 20 0 CHADMN CC[C@H]1CN(Cc2cccc(-c3cccnc3)c2)[C@H](C)CO1 ZINC000651930928 1120783932 /nfs/dbraw/zinc/78/39/32/1120783932.db2.gz GUCJEURKIGLWHR-BEFAXECRSA-N 0 1 296.414 3.748 20 0 CHADMN CC[C@H](NCc1cnn(CC(F)F)c1)c1ccccc1F ZINC000651933573 1120785021 /nfs/dbraw/zinc/78/50/21/1120785021.db2.gz BUUCKNUZNDNMAB-AWEZNQCLSA-N 0 1 297.324 3.528 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N(C)CC1=CCCOC1 ZINC000661655691 1120789844 /nfs/dbraw/zinc/78/98/44/1120789844.db2.gz UIOPKPKVNSBRMK-INIZCTEOSA-N 0 1 281.346 3.694 20 0 CHADMN Oc1cc(F)cc(CN2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000473131407 1120793070 /nfs/dbraw/zinc/79/30/70/1120793070.db2.gz GYHFDHXXCHVGAJ-CQSZACIVSA-N 0 1 289.325 3.660 20 0 CHADMN CCC1(CC)CCCN([C@H](C)c2nnc(C)s2)C1 ZINC000661672983 1120793442 /nfs/dbraw/zinc/79/34/42/1120793442.db2.gz QSFLUNROPIIYQC-LLVKDONJSA-N 0 1 267.442 3.810 20 0 CHADMN CCc1nnc([C@H](C)N2CCCC(CC)(CC)C2)o1 ZINC000661675175 1120793526 /nfs/dbraw/zinc/79/35/26/1120793526.db2.gz UQBFXTGLZUJFAM-LBPRGKRZSA-N 0 1 265.401 3.595 20 0 CHADMN FCC[C@@H]1CCCN(Cc2ncccc2C(F)(F)F)C1 ZINC000661690045 1120794862 /nfs/dbraw/zinc/79/48/62/1120794862.db2.gz NMZNVHPUQSWDDC-NSHDSACASA-N 0 1 290.304 3.672 20 0 CHADMN FCC[C@H]1CCCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000661699884 1120796930 /nfs/dbraw/zinc/79/69/30/1120796930.db2.gz YKHLMYBYRDIMTH-CQSZACIVSA-N 0 1 288.366 3.913 20 0 CHADMN Cc1ccc(CNCc2cccnc2OC(C)C)s1 ZINC000048068397 1120800578 /nfs/dbraw/zinc/80/05/78/1120800578.db2.gz ULWCQQCSGUQPSN-UHFFFAOYSA-N 0 1 276.405 3.529 20 0 CHADMN Cc1ccncc1CN(Cc1ccccc1F)CC1CC1 ZINC000661794980 1120815533 /nfs/dbraw/zinc/81/55/33/1120815533.db2.gz ZBVSRMNKWVGWRW-UHFFFAOYSA-N 0 1 284.378 3.941 20 0 CHADMN CC(C)CCc1ccccc1NC(=O)C[N@@H+](C)C1CCC1 ZINC000629953762 1128942627 /nfs/dbraw/zinc/94/26/27/1128942627.db2.gz TWPILMXOSYRZGX-UHFFFAOYSA-N 0 1 288.435 3.698 20 0 CHADMN CC(C)CCc1ccccc1NC(=O)CN(C)C1CCC1 ZINC000629953762 1128942629 /nfs/dbraw/zinc/94/26/29/1128942629.db2.gz TWPILMXOSYRZGX-UHFFFAOYSA-N 0 1 288.435 3.698 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000661856658 1120825958 /nfs/dbraw/zinc/82/59/58/1120825958.db2.gz JYMCVZCCTQNMOV-GRYCIOLGSA-N 0 1 269.335 3.525 20 0 CHADMN Fc1ccc(CN2CCC([C@@H]3CCCCO3)CC2)cc1F ZINC000661867260 1120828896 /nfs/dbraw/zinc/82/88/96/1120828896.db2.gz GRYAZGMJVGRQRY-KRWDZBQOSA-N 0 1 295.373 3.746 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661873238 1120830885 /nfs/dbraw/zinc/83/08/85/1120830885.db2.gz DNWRIJUKZQWQGF-GUYCJALGSA-N 0 1 295.373 3.746 20 0 CHADMN O[C@H](CCNc1ccnc2cc(F)ccc21)c1ccccc1 ZINC000078519992 1128943469 /nfs/dbraw/zinc/94/34/69/1128943469.db2.gz YAFCACYPGJWURT-GOSISDBHSA-N 0 1 296.345 3.910 20 0 CHADMN Cc1ccc([C@H]2CCN(Cc3nccn3C3CC3)C2)cc1 ZINC000893532662 1120835306 /nfs/dbraw/zinc/83/53/06/1120835306.db2.gz VICHUGSNZVRJFU-INIZCTEOSA-N 0 1 281.403 3.516 20 0 CHADMN CCN1CCC[C@H](O[C@@](F)(Cl)c2ccccc2)C1 ZINC001222957804 1120843564 /nfs/dbraw/zinc/84/35/64/1120843564.db2.gz OIRFIQLOTIIZBB-UONOGXRCSA-N 0 1 271.763 3.506 20 0 CHADMN C[C@H](NC(=O)c1ccc(Cl)c(O)c1)[C@@H]1CCC[C@@H](C)C1 ZINC001626588278 1120843852 /nfs/dbraw/zinc/84/38/52/1120843852.db2.gz COTWGRBNOISGEY-GRYCIOLGSA-N 0 1 295.810 3.990 20 0 CHADMN O=C1CCCC12CCN(Cc1ccc(Cl)cc1)CC2 ZINC000661951411 1120844854 /nfs/dbraw/zinc/84/48/54/1120844854.db2.gz MTFMODRDUHXSCR-UHFFFAOYSA-N 0 1 277.795 3.675 20 0 CHADMN CC[N@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccc(Cl)s1 ZINC000652376931 1120847401 /nfs/dbraw/zinc/84/74/01/1120847401.db2.gz NCVRWYXGNMIWJR-UHFFFAOYSA-N 0 1 299.779 3.715 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccc(Cl)s1 ZINC000652376931 1120847404 /nfs/dbraw/zinc/84/74/04/1120847404.db2.gz NCVRWYXGNMIWJR-UHFFFAOYSA-N 0 1 299.779 3.715 20 0 CHADMN CCOc1ccc(-c2nc(CN3CC[C@@H]4C[C@@H]4C3)co2)cc1 ZINC000661969168 1120849257 /nfs/dbraw/zinc/84/92/57/1120849257.db2.gz IKCYEABVHFOTBO-HUUCEWRRSA-N 0 1 298.386 3.582 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000652389551 1120851141 /nfs/dbraw/zinc/85/11/41/1120851141.db2.gz LGHAJOROUUDMIT-KRWDZBQOSA-N 0 1 287.403 3.930 20 0 CHADMN CCCCCN(C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21)C(C)C ZINC000630026834 1128944712 /nfs/dbraw/zinc/94/47/12/1128944712.db2.gz JSHNAJLJICHSFP-UKRRQHHQSA-N 0 1 291.439 3.503 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C[C@H]1C ZINC000652418355 1120859234 /nfs/dbraw/zinc/85/92/34/1120859234.db2.gz HXNOZHBCZGBUNH-GHMZBOCLSA-N 0 1 281.783 3.516 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000652425619 1120860574 /nfs/dbraw/zinc/86/05/74/1120860574.db2.gz BIHZRDSTZOUOTI-GFCCVEGCSA-N 0 1 267.394 3.601 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CCC[C@H](C3CCC3)C2)n1 ZINC000662041171 1120863230 /nfs/dbraw/zinc/86/32/30/1120863230.db2.gz YNUNSZQYEOXODS-OCCSQVGLSA-N 0 1 277.412 3.766 20 0 CHADMN OC[C@@H](N[C@H]1C=CCCC1)c1cccc(Cl)c1Cl ZINC000662049656 1120865318 /nfs/dbraw/zinc/86/53/18/1120865318.db2.gz BHUUDRJTBXFAHF-GXFFZTMASA-N 0 1 286.202 3.725 20 0 CHADMN Cc1cc(C)cc([C@H]2CC[N@H+]([C@@H](CC(C)C)C(=O)[O-])C2)c1 ZINC000652443670 1120865365 /nfs/dbraw/zinc/86/53/65/1120865365.db2.gz QGOCQXWQXUNNOW-RDJZCZTQSA-N 0 1 289.419 3.592 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000652485220 1120873061 /nfs/dbraw/zinc/87/30/61/1120873061.db2.gz HWQPTOZIBBZCBB-INIZCTEOSA-N 0 1 277.408 3.741 20 0 CHADMN Cc1ccc(-c2cccc([C@H]3COCCN3)c2)c(F)c1F ZINC000630054351 1128946031 /nfs/dbraw/zinc/94/60/31/1128946031.db2.gz PDUINPBPJAPCPB-OAHLLOKOSA-N 0 1 289.325 3.601 20 0 CHADMN Clc1ccc(-c2cccc([C@H]3COCCN3)c2)cc1 ZINC000630052499 1128946439 /nfs/dbraw/zinc/94/64/39/1128946439.db2.gz VUHCSLMZNIEANI-MRXNPFEDSA-N 0 1 273.763 3.668 20 0 CHADMN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000402018866 1120879865 /nfs/dbraw/zinc/87/98/65/1120879865.db2.gz VCJCAPBUTGCVGE-HLTSFMKQSA-N 0 1 292.181 3.961 20 0 CHADMN C[C@@H](c1cccc2ccccc21)N1CCc2nccnc2C1 ZINC000662126260 1120880830 /nfs/dbraw/zinc/88/08/30/1120880830.db2.gz XHHAXUFJYBAGGK-AWEZNQCLSA-N 0 1 289.382 3.749 20 0 CHADMN CCCC[C@H](CC)C[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000251339043 1120882557 /nfs/dbraw/zinc/88/25/57/1120882557.db2.gz MDVQVZGCZBSZIA-FZKCQIBNSA-N 0 1 281.440 3.921 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1csc(N(C)C2CC2)n1 ZINC000662130221 1120882791 /nfs/dbraw/zinc/88/27/91/1120882791.db2.gz DCSCSWOBVNWONK-PHTAMDTFSA-N 0 1 291.464 3.505 20 0 CHADMN CCCCC[C@H]1CCCCN1Cc1ncnn1C(C)C ZINC000662153197 1120886012 /nfs/dbraw/zinc/88/60/12/1120886012.db2.gz AVWZMICCMRCMRA-HNNXBMFYSA-N 0 1 278.444 3.794 20 0 CHADMN C(c1nnc(C2CC2)s1)N1CCCC[C@H]1CC1CCC1 ZINC000662157998 1120889238 /nfs/dbraw/zinc/88/92/38/1120889238.db2.gz RRCBUTHEZYGRRJ-AWEZNQCLSA-N 0 1 291.464 3.960 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@H](C)C2CCCC2)n1 ZINC000184642133 1120898592 /nfs/dbraw/zinc/89/85/92/1120898592.db2.gz ZHJJYOGDVQEPAY-GHMZBOCLSA-N 0 1 283.441 3.552 20 0 CHADMN CC1(C)CCCC[C@@H]1C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000662202903 1120898748 /nfs/dbraw/zinc/89/87/48/1120898748.db2.gz AHEULQRCDKSJQJ-FPCVCCKLSA-N 0 1 293.451 3.921 20 0 CHADMN NC1(c2noc([C@@H]3CCC[C@@H]3Cc3ccccc3)n2)CCC1 ZINC000663250164 1120899262 /nfs/dbraw/zinc/89/92/62/1120899262.db2.gz CRWKRYYZPZDVLP-HUUCEWRRSA-N 0 1 297.402 3.534 20 0 CHADMN COc1cccc([C@H](C)NCc2ccnc(Cl)c2)c1 ZINC000212429739 1120909944 /nfs/dbraw/zinc/90/99/44/1120909944.db2.gz DQFSVNBFPWZITH-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN C[C@H]1CN(Cc2cccc(F)c2Br)C[C@@H]1C ZINC000158077402 1120911403 /nfs/dbraw/zinc/91/14/03/1120911403.db2.gz ROUNYMGEKXEJEP-UWVGGRQHSA-N 0 1 286.188 3.676 20 0 CHADMN C[N@@H+](CC1=CCSC1)Cc1ccc(Cl)c(F)c1 ZINC000662264436 1120913388 /nfs/dbraw/zinc/91/33/88/1120913388.db2.gz RNNQRXBFCAHHBM-UHFFFAOYSA-N 0 1 271.788 3.584 20 0 CHADMN CN(CC1=CCSC1)Cc1ccc(Cl)c(F)c1 ZINC000662264436 1120913392 /nfs/dbraw/zinc/91/33/92/1120913392.db2.gz RNNQRXBFCAHHBM-UHFFFAOYSA-N 0 1 271.788 3.584 20 0 CHADMN Cc1ccc2ncc(C[N@@H+](C)CC3=CCSC3)cc2c1 ZINC000662267739 1120913932 /nfs/dbraw/zinc/91/39/32/1120913932.db2.gz XZAJRTOLKLGFHW-UHFFFAOYSA-N 0 1 284.428 3.648 20 0 CHADMN Cc1ccc2ncc(CN(C)CC3=CCSC3)cc2c1 ZINC000662267739 1120913934 /nfs/dbraw/zinc/91/39/34/1120913934.db2.gz XZAJRTOLKLGFHW-UHFFFAOYSA-N 0 1 284.428 3.648 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1ccc(C(C)(C)O)cc1 ZINC000186606184 1120923602 /nfs/dbraw/zinc/92/36/02/1120923602.db2.gz VYQUAYYVCOSHOD-CQSZACIVSA-N 0 1 299.414 3.773 20 0 CHADMN CC(C)c1nc([C@@H](C)NCc2cccc(C(C)C)c2)n[nH]1 ZINC000663321256 1120924090 /nfs/dbraw/zinc/92/40/90/1120924090.db2.gz XMESXOXGUPGCCF-CYBMUJFWSA-N 0 1 286.423 3.902 20 0 CHADMN Cc1nc(CN(C2CC2)C2CCC(C)CC2)oc1C ZINC000139929751 1120924458 /nfs/dbraw/zinc/92/44/58/1120924458.db2.gz AFDQRYQGUPUKKG-UHFFFAOYSA-N 0 1 262.397 3.835 20 0 CHADMN CCOC1(C)CCN(Cc2cscc2Cl)CC1 ZINC000644834301 1120926251 /nfs/dbraw/zinc/92/62/51/1120926251.db2.gz ORZAPHCYNKSNRV-UHFFFAOYSA-N 0 1 273.829 3.793 20 0 CHADMN COc1cc(C)nc(CN2CC3CC2(c2ccccc2)C3)c1 ZINC000662332058 1120927633 /nfs/dbraw/zinc/92/76/33/1120927633.db2.gz SPTOKFMZXHAAMJ-UHFFFAOYSA-N 0 1 294.398 3.520 20 0 CHADMN Cc1ccc(CN[C@]2(c3ccccc3)CC2(C)C)cn1 ZINC000662341230 1120928351 /nfs/dbraw/zinc/92/83/51/1120928351.db2.gz RFQHFNPLYDFDOQ-SFHVURJKSA-N 0 1 266.388 3.805 20 0 CHADMN COc1cccc(CN[C@@]2(c3ccccc3)CC2(C)C)n1 ZINC000662345431 1120929311 /nfs/dbraw/zinc/92/93/11/1120929311.db2.gz ZVXQMZPFCHLMMB-GOSISDBHSA-N 0 1 282.387 3.505 20 0 CHADMN CC(C)c1ccc(-c2noc(CN3CC4CC3(C)C4)n2)cc1 ZINC000662380536 1120933416 /nfs/dbraw/zinc/93/34/16/1120933416.db2.gz OSCLOZXRPOJDHV-UHFFFAOYSA-N 0 1 297.402 3.844 20 0 CHADMN C[C@@H]1C[C@H](c2cccnc2)N(Cc2cnn(C3CCC3)c2)C1 ZINC000893572541 1120937009 /nfs/dbraw/zinc/93/70/09/1120937009.db2.gz RWYIFTGXFJJBOF-RDTXWAMCSA-N 0 1 296.418 3.586 20 0 CHADMN CCCn1cc(CN[C@@]2(c3ccccc3)CC2(C)C)cn1 ZINC000663338479 1120938829 /nfs/dbraw/zinc/93/88/29/1120938829.db2.gz QZZGALXTPJDZRZ-GOSISDBHSA-N 0 1 283.419 3.708 20 0 CHADMN COc1cccc(CN2CC3(CCC3)[C@H]2C(C)C)c1F ZINC000644835330 1120945314 /nfs/dbraw/zinc/94/53/14/1120945314.db2.gz LYYMHJDSAIZQKG-MRXNPFEDSA-N 0 1 277.383 3.845 20 0 CHADMN Fc1cc(CN2CCOCC3(CCC3)C2)ccc1C(F)F ZINC000893583331 1120947178 /nfs/dbraw/zinc/94/71/78/1120947178.db2.gz IWTACLWUUIMCBI-UHFFFAOYSA-N 0 1 299.336 3.766 20 0 CHADMN C(c1nc2c(s1)CCCC2)N1CCC(C2CC2)CC1 ZINC000644837187 1120953919 /nfs/dbraw/zinc/95/39/19/1120953919.db2.gz HIIYDWGVCCMVRQ-UHFFFAOYSA-N 0 1 276.449 3.644 20 0 CHADMN CC1(C)CCC[N@H+]1Cc1ccc(F)cc1Br ZINC000063063683 1120964359 /nfs/dbraw/zinc/96/43/59/1120964359.db2.gz MMLMRUJNSAZFRF-UHFFFAOYSA-N 0 1 286.188 3.963 20 0 CHADMN CC1(C)CCCN1Cc1ccc(F)cc1Br ZINC000063063683 1120964361 /nfs/dbraw/zinc/96/43/61/1120964361.db2.gz MMLMRUJNSAZFRF-UHFFFAOYSA-N 0 1 286.188 3.963 20 0 CHADMN C[C@@H](N[C@H]1COC2(CCC2)C1)c1nc2ccccc2s1 ZINC000688296447 1128952862 /nfs/dbraw/zinc/95/28/62/1128952862.db2.gz MUOKNUWBQJKLGF-VXGBXAGGSA-N 0 1 288.416 3.659 20 0 CHADMN Cc1cnc(CN[C@H]2CC(C)(C)c3ccccc32)s1 ZINC000177961194 1120974194 /nfs/dbraw/zinc/97/41/94/1120974194.db2.gz CRCPQCMYTAYREG-AWEZNQCLSA-N 0 1 272.417 3.964 20 0 CHADMN Cc1cccc(CN2CCc3cc(F)ccc3C2)c1 ZINC000630343506 1128953582 /nfs/dbraw/zinc/95/35/82/1128953582.db2.gz PXVOBYCDZHQXFU-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN Cc1ccc(C)c(OCCCN2CC3(C2)CC(F)(F)C3)c1 ZINC000663464352 1120980165 /nfs/dbraw/zinc/98/01/65/1120980165.db2.gz WVIWTSOAFDQNMT-UHFFFAOYSA-N 0 1 295.373 3.803 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2c(Cl)cccc2OC)C1 ZINC000093419003 1128954262 /nfs/dbraw/zinc/95/42/62/1128954262.db2.gz CAUHSXSALJTVSQ-CYBMUJFWSA-N 0 1 297.826 3.597 20 0 CHADMN CCn1nccc1CN[C@H](C)c1cccc(CC(C)C)c1 ZINC000663470768 1120984937 /nfs/dbraw/zinc/98/49/37/1120984937.db2.gz RDESNSNSDQFKHT-OAHLLOKOSA-N 0 1 285.435 3.952 20 0 CHADMN Cc1cccc([C@@H](NCCOC(C)(C)C)c2ccccn2)c1 ZINC000925777898 1120986800 /nfs/dbraw/zinc/98/68/00/1120986800.db2.gz HYEHVHWYZAUXAE-GOSISDBHSA-N 0 1 298.430 3.884 20 0 CHADMN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1cc(Cl)sc1Cl ZINC000402289439 1120994040 /nfs/dbraw/zinc/99/40/40/1120994040.db2.gz MUTJBJLJWBERAJ-PRJMDXOYSA-N 0 1 280.220 3.883 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000303599068 1120995534 /nfs/dbraw/zinc/99/55/34/1120995534.db2.gz JOYSNUOINNQFSL-OAHLLOKOSA-N 0 1 299.418 3.995 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](C[C@H](C)C2CCCCC2)C1 ZINC000313510620 1121003365 /nfs/dbraw/zinc/00/33/65/1121003365.db2.gz KARUDQUHDOUMLW-WMLDXEAASA-N 0 1 281.440 3.636 20 0 CHADMN N#Cc1ccc(F)c(CNCc2cccc3cccnc32)c1 ZINC000317313435 1121005853 /nfs/dbraw/zinc/00/58/53/1121005853.db2.gz OBEOLUAUUQNGNN-UHFFFAOYSA-N 0 1 291.329 3.535 20 0 CHADMN C[C@H](N[C@@H](C)c1cncc(F)c1)c1cc2cnccc2o1 ZINC000657968541 1121019707 /nfs/dbraw/zinc/01/97/07/1121019707.db2.gz BIHQBSJMZNKFOO-QWRGUYRKSA-N 0 1 285.322 3.774 20 0 CHADMN CCN(Cc1c(Cl)n(C)nc1C(F)(F)F)C(C)(C)C ZINC001117760810 1121026989 /nfs/dbraw/zinc/02/69/89/1121026989.db2.gz KYNVGDKPYXLWIW-UHFFFAOYSA-N 0 1 297.752 3.713 20 0 CHADMN CCCCc1ccc(NC(=O)c2cn[nH]c2CC)cc1 ZINC000058504396 1121029134 /nfs/dbraw/zinc/02/91/34/1121029134.db2.gz ARNNIAQUNBEERR-UHFFFAOYSA-N 0 1 271.364 3.567 20 0 CHADMN CCc1ccccc1NC(=O)CN1CCC[C@@H](CC)CC1 ZINC000604998925 1121040341 /nfs/dbraw/zinc/04/03/41/1121040341.db2.gz SHJAQYHDNGZKLZ-OAHLLOKOSA-N 0 1 288.435 3.700 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1cn[nH]c1 ZINC000222462640 1121044059 /nfs/dbraw/zinc/04/40/59/1121044059.db2.gz DKXASGSUYHAKNO-IUCAKERBSA-N 0 1 267.735 3.614 20 0 CHADMN Cc1cccc(F)c1Nc1ccc(N2CCN(C)CC2)cc1 ZINC001174815941 1121044218 /nfs/dbraw/zinc/04/42/18/1121044218.db2.gz SBUNBFDOOUPDCM-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN C=Cc1cccc(Nc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001174815021 1121044805 /nfs/dbraw/zinc/04/48/05/1121044805.db2.gz VHCFMFNQKNLFGM-UHFFFAOYSA-N 0 1 293.414 3.825 20 0 CHADMN O=C(CN(CCC1CC1)CC1CC1)c1ccccc1F ZINC001174827799 1121047036 /nfs/dbraw/zinc/04/70/36/1121047036.db2.gz UEPUKPRWPXZCSY-UHFFFAOYSA-N 0 1 275.367 3.521 20 0 CHADMN CC(C)Oc1ncccc1CNCc1cccc2cc[nH]c21 ZINC000318572810 1121052545 /nfs/dbraw/zinc/05/25/45/1121052545.db2.gz WISRCKCMUARWAH-UHFFFAOYSA-N 0 1 295.386 3.640 20 0 CHADMN CCCCO[C@H]1C[C@H](NCc2nc(C)cs2)C1(C)C ZINC000344033021 1121061152 /nfs/dbraw/zinc/06/11/52/1121061152.db2.gz KGZKYKFDVCVTNI-STQMWFEESA-N 0 1 282.453 3.525 20 0 CHADMN COCC[C@H](N[C@H](C)c1cccc(O)c1)c1ccc(C)o1 ZINC000282518404 1121065353 /nfs/dbraw/zinc/06/53/53/1121065353.db2.gz ZKNKYEKZXSMXTB-CJNGLKHVSA-N 0 1 289.375 3.722 20 0 CHADMN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)C[C@@H]1CC=CCC1 ZINC000344050626 1121066633 /nfs/dbraw/zinc/06/66/33/1121066633.db2.gz HRPQUSLRINQISR-UONOGXRCSA-N 0 1 297.402 3.685 20 0 CHADMN CC(C)C[N@H+](Cc1c[nH]cn1)Cc1ccc(F)c(Cl)c1 ZINC000625720293 1121066977 /nfs/dbraw/zinc/06/69/77/1121066977.db2.gz QRBJOFHAHQMNLF-UHFFFAOYSA-N 0 1 295.789 3.860 20 0 CHADMN COCC[C@@H](N[C@@H](C)c1cccc(O)c1)c1ccc(C)o1 ZINC000282518411 1121067134 /nfs/dbraw/zinc/06/71/34/1121067134.db2.gz ZKNKYEKZXSMXTB-XJKSGUPXSA-N 0 1 289.375 3.722 20 0 CHADMN Cc1nc([C@@H](C)N[C@H](C)[C@@H](O)c2ccc(C)cc2)cs1 ZINC000797056353 1121075007 /nfs/dbraw/zinc/07/50/07/1121075007.db2.gz BTIWEYQLHXGWPB-XHBSWPGZSA-N 0 1 290.432 3.533 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@H]1CCCc3sccc31)CO2 ZINC000344092230 1121077261 /nfs/dbraw/zinc/07/72/61/1121077261.db2.gz BBUDHSRUUPCVAM-UONOGXRCSA-N 0 1 289.375 3.988 20 0 CHADMN O=C1C[C@H]2CCC[C@@H](C1)N2CCCc1ccc(Cl)cc1 ZINC001207595765 1121078034 /nfs/dbraw/zinc/07/80/34/1121078034.db2.gz GUOIWLQVFPTJIN-IYBDPMFKSA-N 0 1 291.822 3.859 20 0 CHADMN CC(C)(C)OCc1ccc(Nc2ccncc2)cc1 ZINC001174911944 1121090987 /nfs/dbraw/zinc/09/09/87/1121090987.db2.gz UFVVGNHRWPMMEG-UHFFFAOYSA-N 0 1 256.349 3.562 20 0 CHADMN CCC(CC)NC(=O)[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000037980664 1121091022 /nfs/dbraw/zinc/09/10/22/1121091022.db2.gz WSDROJHBYULUNM-VXGBXAGGSA-N 0 1 296.842 3.684 20 0 CHADMN COCc1cccc(CN[C@@H](C)c2cc(F)ccc2F)c1 ZINC000038010512 1121093503 /nfs/dbraw/zinc/09/35/03/1121093503.db2.gz FVQZNDZICZHDHE-LBPRGKRZSA-N 0 1 291.341 3.962 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@@H](C)c1cncc(C)c1)CCO2 ZINC000344121486 1121094701 /nfs/dbraw/zinc/09/47/01/1121094701.db2.gz DMQCWTOJQSDQDP-SUMWQHHRSA-N 0 1 298.386 3.573 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cnc(Cl)c(C)c1 ZINC000773427268 1121100096 /nfs/dbraw/zinc/10/00/96/1121100096.db2.gz JPDRNVCNIXHJKJ-GFCCVEGCSA-N 0 1 289.810 3.852 20 0 CHADMN C[C@H](NC[C@H](O)C(C)(C)C)c1c(F)cccc1Cl ZINC000324640744 1121101965 /nfs/dbraw/zinc/10/19/65/1121101965.db2.gz XGMLVRVWQWGTGE-CABZTGNLSA-N 0 1 273.779 3.537 20 0 CHADMN COc1cncc(CN(C)[C@@H](C)c2ccc(C)cc2C)c1 ZINC000344142532 1121102415 /nfs/dbraw/zinc/10/24/15/1121102415.db2.gz ZTDOUVSBDHWTHP-HNNXBMFYSA-N 0 1 284.403 3.900 20 0 CHADMN CCCCCC(C)(C)C(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001127685008 1128962812 /nfs/dbraw/zinc/96/28/12/1128962812.db2.gz ZOYUXECJACPHIB-GJZGRUSLSA-N 0 1 282.472 3.534 20 0 CHADMN CCCCCC(C)(C)C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC001127685008 1128962817 /nfs/dbraw/zinc/96/28/17/1128962817.db2.gz ZOYUXECJACPHIB-GJZGRUSLSA-N 0 1 282.472 3.534 20 0 CHADMN CSCC[C@H](C)[N@@H+](C)Cc1cnc(C2CC2)s1 ZINC000093558953 1128963125 /nfs/dbraw/zinc/96/31/25/1128963125.db2.gz HGNLDLPNMUUTCU-JTQLQIEISA-N 0 1 270.467 3.594 20 0 CHADMN c1ccc2c(c1)CN([C@H]1CCCOC1)Cc1ccccc1-2 ZINC000674286145 1121112749 /nfs/dbraw/zinc/11/27/49/1121112749.db2.gz OUAXCDJOBYMRLS-KRWDZBQOSA-N 0 1 279.383 3.848 20 0 CHADMN COc1ccsc1CNC1(c2ccc(OC)cc2)CC1 ZINC000344189116 1121115799 /nfs/dbraw/zinc/11/57/99/1121115799.db2.gz YCMGBPPGZRRRKT-UHFFFAOYSA-N 0 1 289.400 3.544 20 0 CHADMN O=C1CCCc2cc(Nc3cc(O)c(F)c(F)c3)ccc21 ZINC001213104756 1121118920 /nfs/dbraw/zinc/11/89/20/1121118920.db2.gz CCGJUILZHRUGQL-UHFFFAOYSA-N 0 1 289.281 3.933 20 0 CHADMN CC[C@]1(C)CCN([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000344215002 1121121904 /nfs/dbraw/zinc/12/19/04/1121121904.db2.gz HOGZSHIPPWIZLQ-IAQYHMDHSA-N 0 1 291.420 3.981 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc(CC)cc2)nc1 ZINC000674388772 1121127783 /nfs/dbraw/zinc/12/77/83/1121127783.db2.gz VKWKCCFNXCIZJJ-UHFFFAOYSA-N 0 1 284.403 3.675 20 0 CHADMN Cc1ccc2nc(CNc3cc(C(C)(C)C)ncn3)[nH]c2c1 ZINC000663676803 1121128502 /nfs/dbraw/zinc/12/85/02/1121128502.db2.gz NIPMXTVILHKLKM-UHFFFAOYSA-N 0 1 295.390 3.571 20 0 CHADMN COc1cc2[nH]c(-c3ccc(-c4cc[nH]n4)o3)nc2cc1C ZINC000432507435 1121137642 /nfs/dbraw/zinc/13/76/42/1121137642.db2.gz RUHHQZXMWDYJKK-UHFFFAOYSA-N 0 1 294.314 3.530 20 0 CHADMN C[C@@H](CCC1CC1)NCc1csc(C(F)(F)F)n1 ZINC000893649481 1121138278 /nfs/dbraw/zinc/13/82/78/1121138278.db2.gz TXHIHEFOQIZWRF-QMMMGPOBSA-N 0 1 278.343 3.830 20 0 CHADMN COc1cc(C(=O)Nc2cccc(Cl)c2O)ccc1C ZINC000172110767 1121139199 /nfs/dbraw/zinc/13/91/99/1121139199.db2.gz KXKFXMPMHLZNQR-UHFFFAOYSA-N 0 1 291.734 3.615 20 0 CHADMN Cc1ccc(C(=O)[O-])cc1Nc1cccc2cc[nH+]cc21 ZINC001174982331 1121140956 /nfs/dbraw/zinc/14/09/56/1121140956.db2.gz LOUBDDIXRVGZAJ-UHFFFAOYSA-N 0 1 278.311 3.985 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(C)c2ccccc12 ZINC001174988908 1121143930 /nfs/dbraw/zinc/14/39/30/1121143930.db2.gz VCWPCWPLVXOOHY-UHFFFAOYSA-N 0 1 251.333 3.934 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1ccc2c(c1)CCC2 ZINC000172356276 1121146944 /nfs/dbraw/zinc/14/69/44/1121146944.db2.gz SKSDUNGEEJWCBB-UHFFFAOYSA-N 0 1 287.746 3.787 20 0 CHADMN CC[C@H](NCC(=O)Nc1ccccc1)c1ccc(F)cc1 ZINC000172619681 1121157060 /nfs/dbraw/zinc/15/70/60/1121157060.db2.gz KQNMQDFXPCIVIP-INIZCTEOSA-N 0 1 286.350 3.505 20 0 CHADMN COC[C@@H](NCc1ccc(Cl)s1)c1ccccc1 ZINC000226652454 1121159869 /nfs/dbraw/zinc/15/98/69/1121159869.db2.gz XHPJGJMDJHCDNR-CYBMUJFWSA-N 0 1 281.808 3.879 20 0 CHADMN Fc1ccc(CN2C3CCCC2CCC3)c(F)c1 ZINC000674694358 1121169792 /nfs/dbraw/zinc/16/97/92/1121169792.db2.gz PXJDVAOONHZRRT-UHFFFAOYSA-N 0 1 251.320 3.872 20 0 CHADMN CC[N@@H+](Cc1ccc(C)c(C(=O)[O-])c1)C1CCCCC1 ZINC000701829384 1121170045 /nfs/dbraw/zinc/17/00/45/1121170045.db2.gz GPYVLTYNNIWYPW-UHFFFAOYSA-N 0 1 275.392 3.848 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701829380 1121170131 /nfs/dbraw/zinc/17/01/31/1121170131.db2.gz OTXUGTYVXLRKLD-HNNXBMFYSA-N 0 1 275.392 3.848 20 0 CHADMN CC(C)n1cc([C@@H](C)NC2CC(C)(c3ccccc3)C2)nn1 ZINC000925827848 1121174873 /nfs/dbraw/zinc/17/48/73/1121174873.db2.gz USLILNYSIFQNMK-MXWWQKGMSA-N 0 1 298.434 3.630 20 0 CHADMN CSc1cccc(NC(=O)C[N@H+]2CCCCC[C@H]2C)c1 ZINC000512193884 1121181544 /nfs/dbraw/zinc/18/15/44/1121181544.db2.gz DPVNAVKOVBQVHM-CYBMUJFWSA-N 0 1 292.448 3.612 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1cccc2nsnc21 ZINC000766073940 1121182856 /nfs/dbraw/zinc/18/28/56/1121182856.db2.gz YFDGZQKMQNRPKP-GFCCVEGCSA-N 0 1 295.411 3.811 20 0 CHADMN CCOc1ccc(Nc2nnc(C(C)(C)C)o2)c(F)c1F ZINC001175151502 1121185261 /nfs/dbraw/zinc/18/52/61/1121185261.db2.gz ZEOZYJIVAKYZBF-UHFFFAOYSA-N 0 1 297.305 3.788 20 0 CHADMN CCc1cccc(CN(C)Cc2c(C)nn(CC)c2C)c1 ZINC001175128461 1121193908 /nfs/dbraw/zinc/19/39/08/1121193908.db2.gz JYZWRNGYZWWMHV-UHFFFAOYSA-N 0 1 285.435 3.714 20 0 CHADMN Cc1cc(C)cc(CN[C@@H](C)c2ccc(F)cn2)c1 ZINC000658176437 1121205772 /nfs/dbraw/zinc/20/57/72/1121205772.db2.gz KQWSZXPHKVIDFY-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1ccc(C)c(Nc2ccccc2N2CCN(C)CC2)c1 ZINC001175164785 1121211538 /nfs/dbraw/zinc/21/15/38/1121211538.db2.gz KEISLKXXKWMPRE-UHFFFAOYSA-N 0 1 295.430 3.799 20 0 CHADMN COc1cc(C)ccc1CNCc1ccc2cccnc2c1 ZINC000675101403 1121216483 /nfs/dbraw/zinc/21/64/83/1121216483.db2.gz PSKPKPQBDKHGPF-UHFFFAOYSA-N 0 1 292.382 3.842 20 0 CHADMN Cc1ccccc1CN[C@@H]1COc2c1cccc2Cl ZINC000675103051 1121216821 /nfs/dbraw/zinc/21/68/21/1121216821.db2.gz HCDPIOFLWKRWDS-OAHLLOKOSA-N 0 1 273.763 3.872 20 0 CHADMN C[C@H](N[C@@H](C)c1csc(Cl)c1)c1cn[nH]c1 ZINC000230411077 1121220464 /nfs/dbraw/zinc/22/04/64/1121220464.db2.gz BHKAUPVLWWYCML-YUMQZZPRSA-N 0 1 255.774 3.536 20 0 CHADMN C[C@]1(O)CCCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000230377256 1121221280 /nfs/dbraw/zinc/22/12/80/1121221280.db2.gz XXZVZDNHPJRSEM-AWEZNQCLSA-N 0 1 288.218 3.730 20 0 CHADMN Cc1nc([C@H]2CCN([C@H](C)c3ccccc3Cl)C2)no1 ZINC000931951140 1121222447 /nfs/dbraw/zinc/22/24/47/1121222447.db2.gz SUGMVWSCRRLPLL-PWSUYJOCSA-N 0 1 291.782 3.582 20 0 CHADMN CC1(C)CN(C(=O)c2cccc3[nH]ncc32)c2ccccc21 ZINC000675146385 1121224204 /nfs/dbraw/zinc/22/42/04/1121224204.db2.gz DFUKNULQIRAEBT-UHFFFAOYSA-N 0 1 291.354 3.501 20 0 CHADMN CC[C@@H](NCc1ccc(Cl)c(Cl)c1)c1cnn(C)c1 ZINC000658208518 1121224267 /nfs/dbraw/zinc/22/42/67/1121224267.db2.gz IOZOXIRYPHXXEK-CQSZACIVSA-N 0 1 298.217 3.968 20 0 CHADMN CC[C@H](NCc1c(C2CC2)cnn1C)c1ccccc1F ZINC000658213079 1121224802 /nfs/dbraw/zinc/22/48/02/1121224802.db2.gz OKCJVHRWKVNEIO-INIZCTEOSA-N 0 1 287.382 3.678 20 0 CHADMN Oc1ccc(CN[C@H]2CSCc3ccccc32)cc1F ZINC000766098554 1121235123 /nfs/dbraw/zinc/23/51/23/1121235123.db2.gz PDKVULLQMBDSJO-HNNXBMFYSA-N 0 1 289.375 3.609 20 0 CHADMN COc1ccc([C@@H](C)NCc2cscc2C)c(OC)c1 ZINC000094877603 1121237780 /nfs/dbraw/zinc/23/77/80/1121237780.db2.gz HQQNYIZTQLUXTO-GFCCVEGCSA-N 0 1 291.416 3.925 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cnc2ccccn12 ZINC000675248361 1121240980 /nfs/dbraw/zinc/24/09/80/1121240980.db2.gz RBPWHAWRZYQSEQ-GOSISDBHSA-N 0 1 291.398 3.844 20 0 CHADMN c1ccc2c(c1)CN([C@@H]1CCCOC1)Cc1ccccc1-2 ZINC000674286151 1128972014 /nfs/dbraw/zinc/97/20/14/1128972014.db2.gz OUAXCDJOBYMRLS-QGZVFWFLSA-N 0 1 279.383 3.848 20 0 CHADMN CCn1cc([C@@H](C)N[C@H](C)c2ccc(C)c(F)c2)cn1 ZINC000094953053 1121246914 /nfs/dbraw/zinc/24/69/14/1121246914.db2.gz DHBRNUOENWJFAO-CHWSQXEVSA-N 0 1 275.371 3.762 20 0 CHADMN FC1(F)CC2(CN(CCSCc3ccccc3)C2)C1 ZINC000619166015 1128972980 /nfs/dbraw/zinc/97/29/80/1128972980.db2.gz AVNGHJRRVPFCTB-UHFFFAOYSA-N 0 1 283.387 3.651 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@@H](C(C)(C)C)CC2)o1 ZINC000112635784 1121258725 /nfs/dbraw/zinc/25/87/25/1121258725.db2.gz VXGVYQDLPWHQTN-CYBMUJFWSA-N 0 1 279.428 3.841 20 0 CHADMN Cc1ccncc1CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000123220436 1121262971 /nfs/dbraw/zinc/26/29/71/1121262971.db2.gz YFAUVFDTNYRZFF-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN Cc1cc(Nc2ccc(C)cc2F)n(-c2ccncc2)n1 ZINC001175323913 1121282749 /nfs/dbraw/zinc/28/27/49/1121282749.db2.gz HOLPKYXVTAGJPP-UHFFFAOYSA-N 0 1 282.322 3.767 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cccc(F)c1 ZINC001204156448 1121283492 /nfs/dbraw/zinc/28/34/92/1121283492.db2.gz COJDPCTWDNYTND-UHFFFAOYSA-N 0 1 287.334 3.546 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCOC[C@H](C2CCC2)C1 ZINC000429250337 1121285982 /nfs/dbraw/zinc/28/59/82/1121285982.db2.gz AKWWPJFJAQTFLQ-TZMCWYRMSA-N 0 1 295.373 3.774 20 0 CHADMN C[N@H+](Cc1ccc(F)c(Cl)c1Cl)C[C@H]1CCOC1 ZINC000432722876 1121295082 /nfs/dbraw/zinc/29/50/82/1121295082.db2.gz PSBBFXCFZDKFOG-SECBINFHSA-N 0 1 292.181 3.601 20 0 CHADMN CN(Cc1ccc(F)c(Cl)c1Cl)C[C@H]1CCOC1 ZINC000432722876 1121295090 /nfs/dbraw/zinc/29/50/90/1121295090.db2.gz PSBBFXCFZDKFOG-SECBINFHSA-N 0 1 292.181 3.601 20 0 CHADMN CS[C@H](CNCc1c(F)ccc(O)c1F)C(C)(C)C ZINC000512384169 1121299158 /nfs/dbraw/zinc/29/91/58/1121299158.db2.gz LINYASPAQPCUIR-GFCCVEGCSA-N 0 1 289.391 3.538 20 0 CHADMN CC[C@H]1CC[C@H](C)N1CC(=O)c1cc(C)n(CC)c1C ZINC000124594383 1121305670 /nfs/dbraw/zinc/30/56/70/1121305670.db2.gz NPHLIEYFJSNGIT-WFASDCNBSA-N 0 1 276.424 3.570 20 0 CHADMN CCOCCN(CC)Cc1ccc(C(F)(F)F)s1 ZINC000432743098 1121310661 /nfs/dbraw/zinc/31/06/61/1121310661.db2.gz SQCDMQGGUMVZCJ-UHFFFAOYSA-N 0 1 281.343 3.625 20 0 CHADMN C[C@H]1CCCCN1Cc1nc2ccc(F)cc2s1 ZINC000432744569 1121312921 /nfs/dbraw/zinc/31/29/21/1121312921.db2.gz KOQGZLYJWHABPN-JTQLQIEISA-N 0 1 264.369 3.810 20 0 CHADMN CC(F)(F)c1ccccc1NC(=O)c1cccc(F)c1O ZINC001129010637 1121316944 /nfs/dbraw/zinc/31/69/44/1121316944.db2.gz WPFBKWNGUMQAQC-UHFFFAOYSA-N 0 1 295.260 3.895 20 0 CHADMN C[C@@H](N[C@@H](CC1CC1)c1ccccc1)c1cn(C)cn1 ZINC000925866864 1121320372 /nfs/dbraw/zinc/32/03/72/1121320372.db2.gz ZPIPJJAKEQXEJS-CJNGLKHVSA-N 0 1 269.392 3.612 20 0 CHADMN COCc1ccc(CN[C@H](C)c2ccccc2C)o1 ZINC000125055403 1121339662 /nfs/dbraw/zinc/33/96/62/1121339662.db2.gz JBJBAXGMYBTPTN-CYBMUJFWSA-N 0 1 259.349 3.585 20 0 CHADMN COCc1ccccc1CNCc1cccc(Cl)c1F ZINC000125084568 1121339962 /nfs/dbraw/zinc/33/99/62/1121339962.db2.gz UUFANUMWRBBCRI-UHFFFAOYSA-N 0 1 293.769 3.915 20 0 CHADMN CO[C@H]1CCCN(Cc2c(Cl)oc3ccccc32)C1 ZINC000351819732 1121352271 /nfs/dbraw/zinc/35/22/71/1121352271.db2.gz BEIDNWFTVZGNFM-NSHDSACASA-N 0 1 279.767 3.697 20 0 CHADMN C[C@@H]1CC2(CCC2)CN1Cc1ccn(-c2ccccc2)n1 ZINC000432787908 1121353749 /nfs/dbraw/zinc/35/37/49/1121353749.db2.gz INZOMCIOCWNFEM-OAHLLOKOSA-N 0 1 281.403 3.637 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1ccoc1C)CCCO2 ZINC000675779172 1121354664 /nfs/dbraw/zinc/35/46/64/1121354664.db2.gz IUULGXXQPRHUQC-INIZCTEOSA-N 0 1 287.359 3.600 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1ccoc1C ZINC000675780285 1121356752 /nfs/dbraw/zinc/35/67/52/1121356752.db2.gz VZONPBFBALVCAR-GFCCVEGCSA-N 0 1 259.349 3.756 20 0 CHADMN Cc1occc1CN[C@H]1CCCOc2ccc(C)cc21 ZINC000675779880 1121356932 /nfs/dbraw/zinc/35/69/32/1121356932.db2.gz QVHVLKZSSIJVCU-INIZCTEOSA-N 0 1 271.360 3.900 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@H](C)c1ccc(F)cc1 ZINC000675807952 1121363866 /nfs/dbraw/zinc/36/38/66/1121363866.db2.gz IBVYBFYFXPPLMA-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccnn1CC1CCC1 ZINC001175523429 1121364125 /nfs/dbraw/zinc/36/41/25/1121364125.db2.gz KHEAEFZPPJQQNZ-UHFFFAOYSA-N 0 1 281.363 3.612 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(OCC2CC2)nc1 ZINC001175523001 1121364165 /nfs/dbraw/zinc/36/41/65/1121364165.db2.gz CSJAEIGHJHTWLD-UHFFFAOYSA-N 0 1 294.358 3.799 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@H]1CCc2ccc(C)cc21 ZINC000675807732 1121364237 /nfs/dbraw/zinc/36/42/37/1121364237.db2.gz CSKWLXBWFIAEJU-SFHVURJKSA-N 0 1 296.414 3.793 20 0 CHADMN COC(=O)c1c(F)cccc1Nc1c2cn[nH]c2ccc1C ZINC001175525929 1121364359 /nfs/dbraw/zinc/36/43/59/1121364359.db2.gz KFPKPGNRLDLJQE-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1c(Cl)cncc1Cl ZINC001175525025 1121364606 /nfs/dbraw/zinc/36/46/06/1121364606.db2.gz GZENYHOKEVLOAI-UHFFFAOYSA-N 0 1 293.157 3.739 20 0 CHADMN COc1ccc(Nc2c3cn[nH]c3ccc2C)cc1 ZINC001175525780 1121366479 /nfs/dbraw/zinc/36/64/79/1121366479.db2.gz IRJAPBGCIWVBHM-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN COc1cc(C)cc(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175526375 1121368417 /nfs/dbraw/zinc/36/84/17/1121368417.db2.gz NDXKFVPUSYDBFI-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2c1C(=O)CC2 ZINC001175527182 1121368609 /nfs/dbraw/zinc/36/86/09/1121368609.db2.gz GJHTVNLEVFHIHL-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN Cc1cnc(Cl)c(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175526529 1121368986 /nfs/dbraw/zinc/36/89/86/1121368986.db2.gz XZWMPLBAMNAABS-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(Cl)ccc1CO ZINC001175527462 1121370806 /nfs/dbraw/zinc/37/08/06/1121370806.db2.gz ONRBLSAVLFXLRO-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN COc1cc(C)cc(Nc2cnc3cccc(C)n23)c1 ZINC001211726813 1121375520 /nfs/dbraw/zinc/37/55/20/1121375520.db2.gz ZXCUCZDCMJGYNB-UHFFFAOYSA-N 0 1 267.332 3.703 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC[C@H](C3CCCCC3)C2)o1 ZINC000662203513 1121377336 /nfs/dbraw/zinc/37/73/36/1121377336.db2.gz XYNRTEDARMZNLX-HIFRSBDPSA-N 0 1 291.439 3.985 20 0 CHADMN Cc1cc(CN[C@H](C)c2sc(C(C)(C)C)nc2C)[nH]n1 ZINC000675893303 1121378033 /nfs/dbraw/zinc/37/80/33/1121378033.db2.gz HUWKOEQJQZMETD-SNVBAGLBSA-N 0 1 292.452 3.631 20 0 CHADMN Cc1cc(CN[C@H](C)c2sc(C(C)(C)C)nc2C)n[nH]1 ZINC000675893303 1121378044 /nfs/dbraw/zinc/37/80/44/1121378044.db2.gz HUWKOEQJQZMETD-SNVBAGLBSA-N 0 1 292.452 3.631 20 0 CHADMN CC(C)(C)c1c[nH]c(CN2CCC[C@H](C(F)F)C2)c1 ZINC001249478869 1121379831 /nfs/dbraw/zinc/37/98/31/1121379831.db2.gz DTTWXWSDLRPKRB-NSHDSACASA-N 0 1 270.367 3.789 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000051532605 1121380461 /nfs/dbraw/zinc/38/04/61/1121380461.db2.gz YKUVYTKXERJWAP-KBPBESRZSA-N 0 1 285.391 3.920 20 0 CHADMN COc1ccc([C@H](C)NCc2ccnn2CC2CCC2)cc1 ZINC000631056462 1128981807 /nfs/dbraw/zinc/98/18/07/1128981807.db2.gz ODCJPSPLKNGGRM-AWEZNQCLSA-N 0 1 299.418 3.543 20 0 CHADMN Cc1cncc([C@H]2CCCN2Cc2ccc(F)cc2)c1 ZINC001175552004 1121384209 /nfs/dbraw/zinc/38/42/09/1121384209.db2.gz PKFWLDXCEHWNMO-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cc(CNCc2nccc3ccccc32)ccc1F ZINC000237747388 1121387652 /nfs/dbraw/zinc/38/76/52/1121387652.db2.gz QGHWUOJFLRMFHU-UHFFFAOYSA-N 0 1 280.346 3.972 20 0 CHADMN Fc1ccc(CN[C@H](CC2CC2)c2ccccc2)nc1 ZINC000675939224 1121388460 /nfs/dbraw/zinc/38/84/60/1121388460.db2.gz YFXAFDQMLCVWKM-QGZVFWFLSA-N 0 1 270.351 3.852 20 0 CHADMN CCCCc1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000675940902 1121390242 /nfs/dbraw/zinc/39/02/42/1121390242.db2.gz GSGNQQNUHSZYCT-INIZCTEOSA-N 0 1 297.402 3.560 20 0 CHADMN Fc1ccc2c(c1)CCN(CC1=Cc3ccccc3OC1)C2 ZINC000500764108 1121390771 /nfs/dbraw/zinc/39/07/71/1121390771.db2.gz BZTFXAGAZQUFRO-UHFFFAOYSA-N 0 1 295.357 3.660 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1Cc1nnc(C(C)(C)C)[nH]1 ZINC000432821406 1121390894 /nfs/dbraw/zinc/39/08/94/1121390894.db2.gz JLELRJKWEUJYGT-QWHCGFSZSA-N 0 1 278.444 3.503 20 0 CHADMN COc1ccc(Br)c(CN2CCCC[C@@H]2C)c1 ZINC000087797752 1121392470 /nfs/dbraw/zinc/39/24/70/1121392470.db2.gz ULZILZSFIMVPOR-NSHDSACASA-N 0 1 298.224 3.832 20 0 CHADMN Cc1ccc(-c2ccc(NC3=CCCN(C)C3)cn2)cc1 ZINC001175574768 1121392931 /nfs/dbraw/zinc/39/29/31/1121392931.db2.gz CEHJQFRQPFMBHE-UHFFFAOYSA-N 0 1 279.387 3.688 20 0 CHADMN CN1CCC=C(Nc2ccc(Oc3ccccc3F)nc2)C1 ZINC001175574797 1121392955 /nfs/dbraw/zinc/39/29/55/1121392955.db2.gz DEDFPHLAPISTGN-UHFFFAOYSA-N 0 1 299.349 3.644 20 0 CHADMN CN1CCC=C(Nc2cc(-c3cccc(F)c3)ccn2)C1 ZINC001175574201 1121393316 /nfs/dbraw/zinc/39/33/16/1121393316.db2.gz PUPMCLUAYPHCCF-UHFFFAOYSA-N 0 1 283.350 3.519 20 0 CHADMN CN1CCC=C(Nc2c(Cl)cc(Cl)nc2Cl)C1 ZINC001175577011 1121395610 /nfs/dbraw/zinc/39/56/10/1121395610.db2.gz OIVOQLBSJISQPQ-UHFFFAOYSA-N 0 1 292.597 3.673 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1csc(C)c1C ZINC000631072783 1128982549 /nfs/dbraw/zinc/98/25/49/1128982549.db2.gz YEVDARHXNZLZBQ-SECBINFHSA-N 0 1 264.394 3.821 20 0 CHADMN Cc1cc(CSc2nc3ccc(Cl)cc3[nH]2)nn1C ZINC000676036831 1121398471 /nfs/dbraw/zinc/39/84/71/1121398471.db2.gz DJIQJEKMEJEJFD-UHFFFAOYSA-N 0 1 292.795 3.551 20 0 CHADMN CC(C)CN(Cc1nnc(C(C)(C)C)[nH]1)CC(C)(C)C ZINC000432834145 1121399493 /nfs/dbraw/zinc/39/94/93/1121399493.db2.gz HWINASHVQOWORM-UHFFFAOYSA-N 0 1 280.460 3.606 20 0 CHADMN CCCCC[C@H]1CCCN1C(=O)c1cc(CCC)[nH]n1 ZINC000676064978 1121402396 /nfs/dbraw/zinc/40/23/96/1121402396.db2.gz QLXLJTBHVOXTOX-AWEZNQCLSA-N 0 1 277.412 3.547 20 0 CHADMN CC[C@]1(C)CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000536235841 1121402668 /nfs/dbraw/zinc/40/26/68/1121402668.db2.gz ZKFUSFPPUGDRJS-QGZVFWFLSA-N 0 1 289.423 3.720 20 0 CHADMN CC[C@@H](NCc1ccc(C)cc1F)c1c(C)nn(C)c1C ZINC000631085368 1128983481 /nfs/dbraw/zinc/98/34/81/1128983481.db2.gz SWTSSSPVPPKEIG-MRXNPFEDSA-N 0 1 289.398 3.725 20 0 CHADMN Cc1cc2c(ncnc2Nc2ccc3n[nH]c(C)c3c2)s1 ZINC001175692922 1121414537 /nfs/dbraw/zinc/41/45/37/1121414537.db2.gz QJLZPNGSIZNWTH-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN COc1cc(Nc2ccc3n[nH]c(C)c3c2)cnc1Cl ZINC001175693709 1121414664 /nfs/dbraw/zinc/41/46/64/1121414664.db2.gz IRNCITDGFJRKRO-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1[nH]nc2ccc(Nc3nc4ccc(F)cc4o3)cc12 ZINC001175692902 1121414695 /nfs/dbraw/zinc/41/46/95/1121414695.db2.gz PKFZAKLRKZKHIU-UHFFFAOYSA-N 0 1 282.278 3.895 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccnc(C(C)(C)C)n3)cc21 ZINC001175698884 1121416009 /nfs/dbraw/zinc/41/60/09/1121416009.db2.gz IZDILAVXCSHDSD-UHFFFAOYSA-N 0 1 281.363 3.702 20 0 CHADMN Cc1n[nH]c2ccc(Nc3cnc4cccc(C)n34)cc12 ZINC001175698614 1121416282 /nfs/dbraw/zinc/41/62/82/1121416282.db2.gz BVEQFFFJULXWPY-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cnc4cccc(C)n34)cc12 ZINC001175698614 1121416287 /nfs/dbraw/zinc/41/62/87/1121416287.db2.gz BVEQFFFJULXWPY-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN CC(=O)Nc1cc(Nc2ccc3n[nH]c(C)c3c2)ccc1C ZINC001175698751 1121416679 /nfs/dbraw/zinc/41/66/79/1121416679.db2.gz FDKDKBXNJIARQO-UHFFFAOYSA-N 0 1 294.358 3.882 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc([C@H](C)O)c3)cc12 ZINC001175699138 1121416775 /nfs/dbraw/zinc/41/67/75/1121416775.db2.gz IYFPRYXEZYOLNH-NSHDSACASA-N 0 1 267.332 3.668 20 0 CHADMN CCOc1ccc(N)cc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175700654 1121417593 /nfs/dbraw/zinc/41/75/93/1121417593.db2.gz QQSLHKNDBMRSHM-UHFFFAOYSA-N 0 1 282.347 3.596 20 0 CHADMN COc1cc(Nc2ccc3n[nH]c(C)c3c2)ccc1C ZINC001175699811 1121417841 /nfs/dbraw/zinc/41/78/41/1121417841.db2.gz SHLZUHITECGDHF-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(F)c(F)cc3O)cc12 ZINC001175699709 1121417908 /nfs/dbraw/zinc/41/79/08/1121417908.db2.gz BZGOVBYCJXYBIL-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc([C@@H](C)O)cc3)cc12 ZINC001175699724 1121417917 /nfs/dbraw/zinc/41/79/17/1121417917.db2.gz QDTFEELGTPFZNP-LLVKDONJSA-N 0 1 267.332 3.668 20 0 CHADMN Cc1[nH]nc2ccc(N3CCCc4cc(N)ccc43)cc12 ZINC001175701331 1121419095 /nfs/dbraw/zinc/41/90/95/1121419095.db2.gz CUCXKJAMDXMYTR-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN CC(=O)c1c(F)cccc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175701407 1121419591 /nfs/dbraw/zinc/41/95/91/1121419591.db2.gz BKGWULIVCFPENW-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN COc1ccc(F)c(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175701408 1121419635 /nfs/dbraw/zinc/41/96/35/1121419635.db2.gz BKHGMVLLXNRBKK-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(F)c(O)cc3F)cc12 ZINC001175702198 1121421094 /nfs/dbraw/zinc/42/10/94/1121421094.db2.gz OIPKLJQTJGWXQO-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1[nH]nc2ccc(Nc3c(N)cc(F)cc3Cl)cc12 ZINC001175702665 1121421121 /nfs/dbraw/zinc/42/11/21/1121421121.db2.gz SWNUCRCJUDSMHM-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN CSc1ccccc1NCc1[nH]nc2ccccc21 ZINC000676316787 1121422504 /nfs/dbraw/zinc/42/25/04/1121422504.db2.gz ZLIJLSVMYMJSOE-UHFFFAOYSA-N 0 1 269.373 3.897 20 0 CHADMN CO[C@H](C)c1cccc(NCc2ccc3nc[nH]c3c2)c1 ZINC000676322078 1121423247 /nfs/dbraw/zinc/42/32/47/1121423247.db2.gz POJASUCYBJBKCY-GFCCVEGCSA-N 0 1 281.359 3.882 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4nsnc43)ccc21 ZINC001175661569 1121424543 /nfs/dbraw/zinc/42/45/43/1121424543.db2.gz NCYLBHTUVLZVMY-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN CC(=O)Nc1cccc(Nc2ccc3c(C)[nH]nc3c2)c1 ZINC001175661140 1121424881 /nfs/dbraw/zinc/42/48/81/1121424881.db2.gz AGEJEPXAXIZJAF-UHFFFAOYSA-N 0 1 280.331 3.573 20 0 CHADMN Cc1[nH]nc2cc(Nc3nc(C)nc4sccc43)ccc12 ZINC001175660342 1121424892 /nfs/dbraw/zinc/42/48/92/1121424892.db2.gz WTWDBNYOFFAHOR-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN CCOc1cccc(NCc2[nH]nc3ccccc32)c1 ZINC000676315131 1121425894 /nfs/dbraw/zinc/42/58/94/1121425894.db2.gz XICONYNHUKIALB-UHFFFAOYSA-N 0 1 267.332 3.574 20 0 CHADMN COC(=O)c1ccc(Nc2ccc3c(C)[nH]nc3c2)c(F)c1 ZINC001175662683 1121425944 /nfs/dbraw/zinc/42/59/44/1121425944.db2.gz XEKFSXHCEQXXEN-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN CC(=O)c1ccc(Nc2ccc3c(C)[nH]nc3c2)cc1O ZINC001175662549 1121426375 /nfs/dbraw/zinc/42/63/75/1121426375.db2.gz RCDTVGDQZBRIND-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(C)cc(C)c3N)ccc12 ZINC001175662296 1121426406 /nfs/dbraw/zinc/42/64/06/1121426406.db2.gz DULHNDCEYFKRSW-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN CSc1cc(Nc2ccc3c(c2)n[nH]c3C)ccn1 ZINC001175661969 1121426635 /nfs/dbraw/zinc/42/66/35/1121426635.db2.gz XTKGJNYMJICUQZ-UHFFFAOYSA-N 0 1 270.361 3.732 20 0 CHADMN COc1cc(Nc2ccc3c(C)[nH]nc3c2)ccc1C(C)=O ZINC001175663095 1121427477 /nfs/dbraw/zinc/42/74/77/1121427477.db2.gz SOWIMRQRJJOODV-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN CC(=O)Oc1ccc(Nc2ccc3c(C)[nH]nc3c2)cc1 ZINC001175663046 1121427868 /nfs/dbraw/zinc/42/78/68/1121427868.db2.gz QKISRUZRRLZJRA-UHFFFAOYSA-N 0 1 281.315 3.540 20 0 CHADMN COCCOc1cccc(Nc2ccc3c(c2)n[nH]c3C)c1 ZINC001175662787 1121428084 /nfs/dbraw/zinc/42/80/84/1121428084.db2.gz CWXMLLWVFZFHST-UHFFFAOYSA-N 0 1 297.358 3.640 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccccc3[C@H](C)O)ccc12 ZINC001175664831 1121428257 /nfs/dbraw/zinc/42/82/57/1121428257.db2.gz GSGXFNCTPHDNKH-NSHDSACASA-N 0 1 267.332 3.668 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4c3ncn4C)ccc12 ZINC001175666625 1121428666 /nfs/dbraw/zinc/42/86/66/1121428666.db2.gz ZYVRZAUNLCNUEB-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cl/C=C(/Cl)CN1CCS[C@@H]2CCCC[C@H]21 ZINC000763564453 1128984984 /nfs/dbraw/zinc/98/49/84/1128984984.db2.gz LDGWJHUQBVZZEJ-JKWVPGAPSA-N 0 1 266.237 3.665 20 0 CHADMN Cc1n[nH]c(CN2CCCCC[C@H]2c2ccncc2)c1C ZINC000893870906 1121434374 /nfs/dbraw/zinc/43/43/74/1121434374.db2.gz FGABKZYJVGCDCV-KRWDZBQOSA-N 0 1 284.407 3.539 20 0 CHADMN CCCC[C@H](COC)N[C@H](C)c1nc(C)sc1C ZINC000676489043 1121437950 /nfs/dbraw/zinc/43/79/50/1121437950.db2.gz GWYXIYHAIZXHQZ-ZWNOBZJWSA-N 0 1 270.442 3.616 20 0 CHADMN Cc1n[nH]c(CN([C@H](C)c2ccccc2)C2CC2)c1C ZINC000893927991 1121441548 /nfs/dbraw/zinc/44/15/48/1121441548.db2.gz KUOOKXNJRPZAOP-CQSZACIVSA-N 0 1 269.392 3.752 20 0 CHADMN COc1c(C)cccc1CNCc1ccc(C(F)F)nc1 ZINC000631170234 1128989740 /nfs/dbraw/zinc/98/97/40/1128989740.db2.gz YXNVZMATOTZUIG-UHFFFAOYSA-N 0 1 292.329 3.626 20 0 CHADMN Clc1ncccc1CN1C2CCCC1CCC2 ZINC000707154966 1121449864 /nfs/dbraw/zinc/44/98/64/1121449864.db2.gz JNGKDTADIRIEOW-UHFFFAOYSA-N 0 1 250.773 3.642 20 0 CHADMN Cc1ncoc1CN(Cc1ccc(F)cc1)C(C)(C)C ZINC000893986595 1121451417 /nfs/dbraw/zinc/45/14/17/1121451417.db2.gz PPZPDASEDDKZKQ-UHFFFAOYSA-N 0 1 276.355 3.923 20 0 CHADMN CCCSC[C@H](C)N[C@@H](C)c1nnc([C@H](C)CC)[nH]1 ZINC000894008951 1121452324 /nfs/dbraw/zinc/45/23/24/1121452324.db2.gz PPXOTSRLMLKRCP-WOPDTQHZSA-N 0 1 284.473 3.501 20 0 CHADMN Cc1n[nH]c(CN(Cc2ccc(F)cc2)CC2CC2)c1C ZINC000894033824 1121457907 /nfs/dbraw/zinc/45/79/07/1121457907.db2.gz KYUOXNUBZYDEAS-UHFFFAOYSA-N 0 1 287.382 3.578 20 0 CHADMN Cc1ccc(CN[C@H](c2cccnc2)C2CC2)c(F)c1 ZINC000631101874 1128985767 /nfs/dbraw/zinc/98/57/67/1128985767.db2.gz LJRFKNMKIJEICT-KRWDZBQOSA-N 0 1 270.351 3.770 20 0 CHADMN Cc1oc(C(C)(C)C)cc1CNC1CC(F)(F)C1 ZINC000894036745 1121461253 /nfs/dbraw/zinc/46/12/53/1121461253.db2.gz OATOYVIEUCHEKV-UHFFFAOYSA-N 0 1 257.324 3.773 20 0 CHADMN CCO[C@H](CNCc1nc(C)c(C)s1)c1ccccc1 ZINC000894066514 1121464357 /nfs/dbraw/zinc/46/43/57/1121464357.db2.gz DACDDLBGPFOFRZ-OAHLLOKOSA-N 0 1 290.432 3.627 20 0 CHADMN Cc1nn(C)c(Cl)c1CN1CCC(C2CCCC2)CC1 ZINC000708780619 1121465777 /nfs/dbraw/zinc/46/57/77/1121465777.db2.gz ISVXXMRCKKYJHI-UHFFFAOYSA-N 0 1 295.858 3.784 20 0 CHADMN Clc1ccccc1OCCN1CCCC2(CC2)C1 ZINC000473446020 1121466228 /nfs/dbraw/zinc/46/62/28/1121466228.db2.gz YHRSHQXMRNKBIT-UHFFFAOYSA-N 0 1 265.784 3.595 20 0 CHADMN CCC[C@@H]1CCCN(Cc2cccc(Br)n2)C1 ZINC000708504687 1121468120 /nfs/dbraw/zinc/46/81/20/1121468120.db2.gz UATDLIJBAKNWSL-GFCCVEGCSA-N 0 1 297.240 3.856 20 0 CHADMN c1cnc([C@@H]2CCCCN2CC2CC3(CCC3)C2)nc1 ZINC001175843989 1121471609 /nfs/dbraw/zinc/47/16/09/1121471609.db2.gz BHOHGSZHTPHHHE-HNNXBMFYSA-N 0 1 271.408 3.584 20 0 CHADMN CCC[C@H](N[C@H](C)c1cn(C)cn1)c1ccccc1 ZINC000709948430 1121472050 /nfs/dbraw/zinc/47/20/50/1121472050.db2.gz DWAMFXNQNFOBAT-HIFRSBDPSA-N 0 1 257.381 3.612 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1cn(C)cn1)c1ccc(F)cc1 ZINC000709931866 1121472325 /nfs/dbraw/zinc/47/23/25/1121472325.db2.gz GUYBOBPQOHCBIU-LRDDRELGSA-N 0 1 275.371 3.607 20 0 CHADMN CCc1noc(C)c1CN(C)Cc1cccc(C)c1C ZINC000428733531 1121475543 /nfs/dbraw/zinc/47/55/43/1121475543.db2.gz QJMXKHDZTXUOKW-UHFFFAOYSA-N 0 1 272.392 3.794 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1cnn(C2CCCCC2)c1 ZINC001175880227 1121476516 /nfs/dbraw/zinc/47/65/16/1121476516.db2.gz YKQVUWHMCNVATK-UHFFFAOYSA-N 0 1 295.390 3.618 20 0 CHADMN CN(Cc1csc(Cl)c1Cl)[C@@H]1CCCC[C@H]1O ZINC000432920947 1121481004 /nfs/dbraw/zinc/48/10/04/1121481004.db2.gz XNEYTQXQCQJRRA-NXEZZACHSA-N 0 1 294.247 3.790 20 0 CHADMN CCCCc1oc2ccccc2c1C[N@@H+](C)CCC(=O)[O-] ZINC000236921370 1121481515 /nfs/dbraw/zinc/48/15/15/1121481515.db2.gz UMQSVLXHAIHSEM-UHFFFAOYSA-N 0 1 289.375 3.682 20 0 CHADMN C[C@@H]1[C@H](C)N(Cc2csc(Cl)c2Cl)CCN1C ZINC000432924811 1121483123 /nfs/dbraw/zinc/48/31/23/1121483123.db2.gz OCPPETGXEKPORG-BDAKNGLRSA-N 0 1 293.263 3.579 20 0 CHADMN Fc1cc(F)c(CN2CCC[C@H]2C2CCC2)cc1F ZINC000512609811 1121492956 /nfs/dbraw/zinc/49/29/56/1121492956.db2.gz QXSMSMFKXWKKOF-HNNXBMFYSA-N 0 1 269.310 3.868 20 0 CHADMN Clc1sccc1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000625779252 1121494068 /nfs/dbraw/zinc/49/40/68/1121494068.db2.gz SVDDHLMVAFTTOJ-MNOVXSKESA-N 0 1 273.854 3.871 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c(Cl)c1OC ZINC000512609707 1121494706 /nfs/dbraw/zinc/49/47/06/1121494706.db2.gz PIMGRTGCNUZYIK-VXGBXAGGSA-N 0 1 297.826 3.978 20 0 CHADMN COc1ccc(CN2CCC[C@@H](C)[C@H]2C)c(Cl)c1OC ZINC000512609707 1121494711 /nfs/dbraw/zinc/49/47/11/1121494711.db2.gz PIMGRTGCNUZYIK-VXGBXAGGSA-N 0 1 297.826 3.978 20 0 CHADMN Cc1ccc([C@H](NCc2scnc2C)C2CCC2)o1 ZINC000543592433 1121494592 /nfs/dbraw/zinc/49/45/92/1121494592.db2.gz DAQIASGNXWWOGY-OAHLLOKOSA-N 0 1 276.405 3.984 20 0 CHADMN CCc1onc(C)c1CNCc1ccc(CSC)cc1 ZINC000922982829 1121502104 /nfs/dbraw/zinc/50/21/04/1121502104.db2.gz VKHDWWFUIUJDQT-UHFFFAOYSA-N 0 1 290.432 3.698 20 0 CHADMN Clc1ccc(Cl)c(CN[C@H]2COC3(CCC3)C2)c1 ZINC000711231428 1121504027 /nfs/dbraw/zinc/50/40/27/1121504027.db2.gz YUNQGHKMUORVSK-GFCCVEGCSA-N 0 1 286.202 3.795 20 0 CHADMN CCc1onc(C)c1CNCc1cccc2ccccc21 ZINC000922986557 1121505552 /nfs/dbraw/zinc/50/55/52/1121505552.db2.gz CMLYUAPXVYDDLO-UHFFFAOYSA-N 0 1 280.371 3.988 20 0 CHADMN CCc1onc(C)c1CNCc1ccc(SC)cc1 ZINC000922988768 1121507600 /nfs/dbraw/zinc/50/76/00/1121507600.db2.gz WQNWWKYSZJRWRH-UHFFFAOYSA-N 0 1 276.405 3.557 20 0 CHADMN CCCc1c(C)[nH]n(-c2cccc(Br)c2)c1=O ZINC000614184645 1121510051 /nfs/dbraw/zinc/51/00/51/1121510051.db2.gz BQKSWZWRPHLGKZ-LBPRGKRZSA-N 0 1 295.180 3.588 20 0 CHADMN COc1ccsc1CN[C@]1(C)CCOc2ccccc21 ZINC000923023460 1121513390 /nfs/dbraw/zinc/51/33/90/1121513390.db2.gz AVKHRALKTNYSAT-MRXNPFEDSA-N 0 1 289.400 3.544 20 0 CHADMN C[C@@]1(NCc2ccc(F)cc2)CCOc2ccccc21 ZINC000923025222 1121513883 /nfs/dbraw/zinc/51/38/83/1121513883.db2.gz JZWSTGCLBAVTJV-QGZVFWFLSA-N 0 1 271.335 3.613 20 0 CHADMN CSC[C@@H]1CCCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000429297528 1121517633 /nfs/dbraw/zinc/51/76/33/1121517633.db2.gz VPNMBFAOZHFZFL-CQSZACIVSA-N 0 1 293.480 3.573 20 0 CHADMN Clc1ccc2ccc(Nc3ccc4nn[nH]c4c3)nc2c1 ZINC001175997050 1121518896 /nfs/dbraw/zinc/51/88/96/1121518896.db2.gz YQQCWWNOMMAYMU-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1ccc2ccc(Nc3ccc4n[nH]nc4c3)nc2c1 ZINC001175997050 1121518899 /nfs/dbraw/zinc/51/88/99/1121518899.db2.gz YQQCWWNOMMAYMU-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Fc1ccc(Nc2ccc3nn[nH]c3c2)c(Cl)c1F ZINC001176003633 1121520278 /nfs/dbraw/zinc/52/02/78/1121520278.db2.gz UCRADXGAXXRHHK-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN Fc1ccc(Nc2ccc3n[nH]nc3c2)c(Cl)c1F ZINC001176003633 1121520283 /nfs/dbraw/zinc/52/02/83/1121520283.db2.gz UCRADXGAXXRHHK-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN Cc1ccc([C@H](NCc2c(C)nn(C)c2C)C2CCC2)o1 ZINC000544567780 1121520746 /nfs/dbraw/zinc/52/07/46/1121520746.db2.gz XEERGDCDZDLUPW-QGZVFWFLSA-N 0 1 287.407 3.569 20 0 CHADMN CC(C)Oc1c(F)cccc1Nc1ccc2nn[nH]c2c1 ZINC001176005012 1121520911 /nfs/dbraw/zinc/52/09/11/1121520911.db2.gz PBWNSXAGJQHHAE-UHFFFAOYSA-N 0 1 286.310 3.628 20 0 CHADMN CC(C)Oc1c(F)cccc1Nc1ccc2n[nH]nc2c1 ZINC001176005012 1121520916 /nfs/dbraw/zinc/52/09/16/1121520916.db2.gz PBWNSXAGJQHHAE-UHFFFAOYSA-N 0 1 286.310 3.628 20 0 CHADMN O=C1CCCCc2c(Nc3ccc4nn[nH]c4c3)cccc21 ZINC001176004063 1121520963 /nfs/dbraw/zinc/52/09/63/1121520963.db2.gz ZFXPXWQJBUSRFW-UHFFFAOYSA-N 0 1 292.342 3.611 20 0 CHADMN O=C1CCCCc2c(Nc3ccc4n[nH]nc4c3)cccc21 ZINC001176004063 1121520967 /nfs/dbraw/zinc/52/09/67/1121520967.db2.gz ZFXPXWQJBUSRFW-UHFFFAOYSA-N 0 1 292.342 3.611 20 0 CHADMN CC(C)OCc1cccc(Nc2ccc3nn[nH]c3c2)c1 ZINC001176004826 1121521042 /nfs/dbraw/zinc/52/10/42/1121521042.db2.gz PTQCJIOBLQWJBX-UHFFFAOYSA-N 0 1 282.347 3.627 20 0 CHADMN CC(C)OCc1cccc(Nc2ccc3n[nH]nc3c2)c1 ZINC001176004826 1121521050 /nfs/dbraw/zinc/52/10/50/1121521050.db2.gz PTQCJIOBLQWJBX-UHFFFAOYSA-N 0 1 282.347 3.627 20 0 CHADMN CC(C)c1ccccc1Nc1ccc2nn[nH]c2c1 ZINC001176006180 1121521264 /nfs/dbraw/zinc/52/12/64/1121521264.db2.gz WEEQVZYBXKZVIV-UHFFFAOYSA-N 0 1 252.321 3.825 20 0 CHADMN CC(C)c1ccccc1Nc1ccc2n[nH]nc2c1 ZINC001176006180 1121521266 /nfs/dbraw/zinc/52/12/66/1121521266.db2.gz WEEQVZYBXKZVIV-UHFFFAOYSA-N 0 1 252.321 3.825 20 0 CHADMN CC(C)Oc1ccc(Nc2ccc3nn[nH]c3c2)cc1F ZINC001176005728 1121521621 /nfs/dbraw/zinc/52/16/21/1121521621.db2.gz YSGKZVFDUBANTP-UHFFFAOYSA-N 0 1 286.310 3.628 20 0 CHADMN CC(C)Oc1ccc(Nc2ccc3n[nH]nc3c2)cc1F ZINC001176005728 1121521627 /nfs/dbraw/zinc/52/16/27/1121521627.db2.gz YSGKZVFDUBANTP-UHFFFAOYSA-N 0 1 286.310 3.628 20 0 CHADMN CCCc1ccccc1Nc1ccc2nn[nH]c2c1 ZINC001176003436 1121521640 /nfs/dbraw/zinc/52/16/40/1121521640.db2.gz GAKPTLXKRIUUAZ-UHFFFAOYSA-N 0 1 252.321 3.654 20 0 CHADMN CCCc1ccccc1Nc1ccc2n[nH]nc2c1 ZINC001176003436 1121521647 /nfs/dbraw/zinc/52/16/47/1121521647.db2.gz GAKPTLXKRIUUAZ-UHFFFAOYSA-N 0 1 252.321 3.654 20 0 CHADMN CC(C)(C)Oc1cccc(Nc2ccc3nn[nH]c3c2)c1 ZINC001176003117 1121521868 /nfs/dbraw/zinc/52/18/68/1121521868.db2.gz CJPMGIIAEBLROS-UHFFFAOYSA-N 0 1 282.347 3.879 20 0 CHADMN CC(C)(C)Oc1cccc(Nc2ccc3n[nH]nc3c2)c1 ZINC001176003117 1121521873 /nfs/dbraw/zinc/52/18/73/1121521873.db2.gz CJPMGIIAEBLROS-UHFFFAOYSA-N 0 1 282.347 3.879 20 0 CHADMN Clc1ccc(Nc2ccc3nn[nH]c3c2)c2ccncc12 ZINC001176004819 1121521901 /nfs/dbraw/zinc/52/19/01/1121521901.db2.gz PSWLAHSIFVPYTN-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1ccc(Nc2ccc3n[nH]nc3c2)c2ccncc12 ZINC001176004819 1121521904 /nfs/dbraw/zinc/52/19/04/1121521904.db2.gz PSWLAHSIFVPYTN-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN c1ccc(C2CC2)c(Nc2ccc3nn[nH]c3c2)c1 ZINC001176006054 1121521958 /nfs/dbraw/zinc/52/19/58/1121521958.db2.gz QFNSPHLWLVJRLV-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN c1ccc(C2CC2)c(Nc2ccc3n[nH]nc3c2)c1 ZINC001176006054 1121521962 /nfs/dbraw/zinc/52/19/62/1121521962.db2.gz QFNSPHLWLVJRLV-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN FC(F)(F)c1ccc2oc(CN(C3CC3)C3CC3)nc2c1 ZINC000625839134 1121522231 /nfs/dbraw/zinc/52/22/31/1121522231.db2.gz SCYQJLFSGDBLSB-UHFFFAOYSA-N 0 1 296.292 3.973 20 0 CHADMN COc1ccc(Nc2ccc3nn[nH]c3c2)cc1C(C)C ZINC001176003168 1121522387 /nfs/dbraw/zinc/52/23/87/1121522387.db2.gz NEYOYFKPQQLPFI-UHFFFAOYSA-N 0 1 282.347 3.834 20 0 CHADMN COc1ccc(Nc2ccc3n[nH]nc3c2)cc1C(C)C ZINC001176003168 1121522392 /nfs/dbraw/zinc/52/23/92/1121522392.db2.gz NEYOYFKPQQLPFI-UHFFFAOYSA-N 0 1 282.347 3.834 20 0 CHADMN Cc1nc2cc(Cl)c(Nc3ccc4nn[nH]c4c3)cc2o1 ZINC001176002727 1121522492 /nfs/dbraw/zinc/52/24/92/1121522492.db2.gz TTXSNSXLQIBJEZ-UHFFFAOYSA-N 0 1 299.721 3.805 20 0 CHADMN Cc1nc2cc(Cl)c(Nc3ccc4n[nH]nc4c3)cc2o1 ZINC001176002727 1121522496 /nfs/dbraw/zinc/52/24/96/1121522496.db2.gz TTXSNSXLQIBJEZ-UHFFFAOYSA-N 0 1 299.721 3.805 20 0 CHADMN Cc1cc(Nc2cccc3c2OCC3)c2ccccc2n1 ZINC001176073761 1121529739 /nfs/dbraw/zinc/52/97/39/1121529739.db2.gz HYTPLWWRSSLGLO-UHFFFAOYSA-N 0 1 276.339 3.644 20 0 CHADMN COC(=O)c1sc(-c2ccccc2)cc1Nc1ncc[nH]1 ZINC001176080491 1121532911 /nfs/dbraw/zinc/53/29/11/1121532911.db2.gz WRKXUFKNHBKLAY-UHFFFAOYSA-N 0 1 299.355 3.668 20 0 CHADMN FC(F)(F)c1nc2ccccc2cc1Nc1ncc[nH]1 ZINC001176081743 1121533335 /nfs/dbraw/zinc/53/33/35/1121533335.db2.gz BFDHRWQPVGETIG-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN Cc1nocc1CNCc1cccc(C2CCCC2)c1 ZINC000631209321 1128992073 /nfs/dbraw/zinc/99/20/73/1128992073.db2.gz VTUULMZYXZGFIK-UHFFFAOYSA-N 0 1 270.376 3.930 20 0 CHADMN C[C@@H]1C[C@@H](NCc2csc(-c3cccs3)n2)[C@@H](C)O1 ZINC000631221064 1128992241 /nfs/dbraw/zinc/99/22/41/1128992241.db2.gz DVVOOIOOPSDFBD-CKYFFXLPSA-N 0 1 294.445 3.527 20 0 CHADMN c1nc(CNC[C@]2(Cc3ccccc3)C=CCCC2)co1 ZINC000631206684 1128992275 /nfs/dbraw/zinc/99/22/75/1128992275.db2.gz IKNGEXBCULKXQP-GOSISDBHSA-N 0 1 282.387 3.733 20 0 CHADMN CC1(C)CN(C/C=C\c2ccc(F)cc2F)CCS1 ZINC000543631864 1121539838 /nfs/dbraw/zinc/53/98/38/1121539838.db2.gz TVECXTPNTSQYAW-ARJAWSKDSA-N 0 1 283.387 3.805 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC[C@H](c3ccccc3)C2)o1 ZINC000433051858 1121540194 /nfs/dbraw/zinc/54/01/94/1121540194.db2.gz JESRCFONUFIIKZ-HIFRSBDPSA-N 0 1 285.391 3.573 20 0 CHADMN Cc1cccnc1CN1Cc2ccccc2OC2(CCC2)C1 ZINC001176051918 1121540310 /nfs/dbraw/zinc/54/03/10/1121540310.db2.gz JMAJJFIGCFJLMQ-UHFFFAOYSA-N 0 1 294.398 3.707 20 0 CHADMN CCCc1csc(CN(C)[C@H]2CC[C@H](C)C2)n1 ZINC000433059672 1121541434 /nfs/dbraw/zinc/54/14/34/1121541434.db2.gz USINZPFMJSXMMF-AAEUAGOBSA-N 0 1 252.427 3.716 20 0 CHADMN c1cn2cc(CN3CCC[C@H](c4ccccc4)C3)nc2s1 ZINC000433066365 1121547925 /nfs/dbraw/zinc/54/79/25/1121547925.db2.gz JCGHIFCFTWTXMN-HNNXBMFYSA-N 0 1 297.427 3.775 20 0 CHADMN CCCCc1noc(CN2CCC[C@H](c3ccccc3)C2)n1 ZINC000433067761 1121549759 /nfs/dbraw/zinc/54/97/59/1121549759.db2.gz MCMVHBMOAYDIOD-INIZCTEOSA-N 0 1 299.418 3.792 20 0 CHADMN CCC(CC)C[N@@H+](CC)CC(=O)Nc1ccccc1C ZINC000051824737 1121550459 /nfs/dbraw/zinc/55/04/59/1121550459.db2.gz NMHYGERFPSECAI-UHFFFAOYSA-N 0 1 276.424 3.692 20 0 CHADMN CC(=O)c1ccc(OC[C@H]2CCCC[N@@H+]2C(C)C)cc1F ZINC000663973811 1121554451 /nfs/dbraw/zinc/55/44/51/1121554451.db2.gz YXCQVYYRPLNPCT-CQSZACIVSA-N 0 1 293.382 3.670 20 0 CHADMN [O-]c1cccc(C[NH2+]CCc2c(F)cccc2F)c1Cl ZINC000645146744 1121564602 /nfs/dbraw/zinc/56/46/02/1121564602.db2.gz MAVDRXYQETVEJI-UHFFFAOYSA-N 0 1 297.732 3.656 20 0 CHADMN CC1(C)CN(CCc2cscn2)CC[C@H]1C(F)(F)F ZINC000450840859 1121564797 /nfs/dbraw/zinc/56/47/97/1121564797.db2.gz JTSUVQHAFHRDDH-LLVKDONJSA-N 0 1 292.370 3.596 20 0 CHADMN CC[C@H](C)CN(C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000509392925 1121567150 /nfs/dbraw/zinc/56/71/50/1121567150.db2.gz MUWZPKLVAJGCMT-RYUDHWBXSA-N 0 1 266.454 3.746 20 0 CHADMN c1c2ccccc2oc1CNCc1cccc2c1CCOC2 ZINC000631244842 1128994078 /nfs/dbraw/zinc/99/40/78/1128994078.db2.gz FDPPQPFWFKEBMX-UHFFFAOYSA-N 0 1 293.366 3.795 20 0 CHADMN CCc1nnc([C@H](C)N[C@@H](c2cccc(C)c2)C(C)C)[nH]1 ZINC000625984712 1121568722 /nfs/dbraw/zinc/56/87/22/1121568722.db2.gz IYYUZTOXKIKADH-XJKSGUPXSA-N 0 1 286.423 3.723 20 0 CHADMN CCOc1ccc(CNCc2ccc(C)o2)cc1OCC ZINC000631243625 1128994247 /nfs/dbraw/zinc/99/42/47/1128994247.db2.gz NKBOFVLXTQMPAW-UHFFFAOYSA-N 0 1 289.375 3.675 20 0 CHADMN CCOc1cc(C)ccc1CNCc1ccc(F)nc1C ZINC000785484198 1121570316 /nfs/dbraw/zinc/57/03/16/1121570316.db2.gz IMTGBRSJEZYDPJ-UHFFFAOYSA-N 0 1 288.366 3.526 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H]2CCc3ccc(F)cc32)c1 ZINC000925374432 1121571736 /nfs/dbraw/zinc/57/17/36/1121571736.db2.gz NRXFDZYYUJLXPM-MEDUHNTESA-N 0 1 286.350 3.567 20 0 CHADMN CC(C)c1ocnc1CN1CCC2(CCCC2)CC1 ZINC000092797514 1121574323 /nfs/dbraw/zinc/57/43/23/1121574323.db2.gz VWULNMMFBNYNJG-UHFFFAOYSA-N 0 1 262.397 3.954 20 0 CHADMN C[C@H](C(=O)Nc1ccccc1Nc1ccncc1)C1CCC1 ZINC000614254902 1121582847 /nfs/dbraw/zinc/58/28/47/1121582847.db2.gz LCGSOGFVJGYITJ-ZDUSSCGKSA-N 0 1 295.386 3.622 20 0 CHADMN c1csc(CN[C@@H]2C[C@@H](Sc3ccccc3)C2)n1 ZINC000631252084 1128994921 /nfs/dbraw/zinc/99/49/21/1128994921.db2.gz MPZXBGNYQHNRSB-AULYBMBSSA-N 0 1 276.430 3.556 20 0 CHADMN C[C@@H](N[C@@H](CO)CC(F)F)c1ccc(-c2ccccc2)o1 ZINC000429446282 1121587672 /nfs/dbraw/zinc/58/76/72/1121587672.db2.gz CZCRHLCPQSQMCR-DGCLKSJQSA-N 0 1 295.329 3.613 20 0 CHADMN CCc1ccc(CN[C@@H]2CCc3cc(F)c(OC)cc32)o1 ZINC000509428865 1121590204 /nfs/dbraw/zinc/59/02/04/1121590204.db2.gz FZNMQGTZAOLSST-MRXNPFEDSA-N 0 1 289.350 3.767 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc3[nH]c(=O)oc3c2)o1 ZINC000671739526 1121591089 /nfs/dbraw/zinc/59/10/89/1121591089.db2.gz UJBYBIFVYHFJAT-WDEREUQCSA-N 0 1 286.331 3.847 20 0 CHADMN Cc1cc(CN[C@H](CCC(C)C)c2ccoc2)n[nH]1 ZINC000671748238 1121599066 /nfs/dbraw/zinc/59/90/66/1121599066.db2.gz QVZFCYXJVUJMGC-OAHLLOKOSA-N 0 1 261.369 3.578 20 0 CHADMN Cc1cc(CN[C@H](CCC(C)C)c2ccoc2)[nH]n1 ZINC000671748238 1121599070 /nfs/dbraw/zinc/59/90/70/1121599070.db2.gz QVZFCYXJVUJMGC-OAHLLOKOSA-N 0 1 261.369 3.578 20 0 CHADMN CC[C@H](N[C@@H]1C[C@H]1c1cccc(F)c1)c1nccs1 ZINC000411518457 1121600260 /nfs/dbraw/zinc/60/02/60/1121600260.db2.gz PJFTVSXUFHTIJU-MELADBBJSA-N 0 1 276.380 3.879 20 0 CHADMN COc1cc(-c2ccccc2)ccc1C[N@@H+](CCO)C(C)C ZINC000512798366 1121602079 /nfs/dbraw/zinc/60/20/79/1121602079.db2.gz TUJWCXCZTHIYFW-UHFFFAOYSA-N 0 1 299.414 3.565 20 0 CHADMN Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)o1 ZINC000051966764 1121604131 /nfs/dbraw/zinc/60/41/31/1121604131.db2.gz ZMIJBFBGYKOEHL-UHFFFAOYSA-N 0 1 259.324 3.892 20 0 CHADMN Cc1ccc(CN(Cc2ccc(F)cc2)C2CC2)o1 ZINC000051966764 1121604134 /nfs/dbraw/zinc/60/41/34/1121604134.db2.gz ZMIJBFBGYKOEHL-UHFFFAOYSA-N 0 1 259.324 3.892 20 0 CHADMN CCCOc1ccc(Nc2ccncc2)cc1Cl ZINC001176305892 1121605212 /nfs/dbraw/zinc/60/52/12/1121605212.db2.gz DLALUUPHIHSHSU-UHFFFAOYSA-N 0 1 262.740 3.689 20 0 CHADMN C[C@@H]1CC[C@H](N[C@@H](CF)c2ccc(F)cc2)CS1 ZINC000631284535 1128996585 /nfs/dbraw/zinc/99/65/85/1128996585.db2.gz PPYZMGCCYSFZLU-SWHYSGLUSA-N 0 1 271.376 3.710 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000221394815 1121606548 /nfs/dbraw/zinc/60/65/48/1121606548.db2.gz SKUPWHDYUGXPGC-CABCVRRESA-N 0 1 269.429 3.780 20 0 CHADMN Cc1nc2c(n1CCc1ccc(F)c(F)c1)CCCC2 ZINC000664047977 1121606505 /nfs/dbraw/zinc/60/65/05/1121606505.db2.gz AAYBWDJMNCWNIW-UHFFFAOYSA-N 0 1 276.330 3.591 20 0 CHADMN CC[C@@H](NCc1ccoc1C)c1cccc(OC)c1OC ZINC000631264791 1128996826 /nfs/dbraw/zinc/99/68/26/1128996826.db2.gz OTZSCJVDALAHAT-OAHLLOKOSA-N 0 1 289.375 3.846 20 0 CHADMN CC[C@H](C)[C@@H](O)CNCc1csc(Cl)c1Cl ZINC000336675628 1121612580 /nfs/dbraw/zinc/61/25/80/1121612580.db2.gz BNBOPZWQHQTMEE-CBAPKCEASA-N 0 1 282.236 3.552 20 0 CHADMN CCc1cc(-n2[nH]c(=O)c3ccc(N)cc32)ccc1Cl ZINC001176393628 1121617400 /nfs/dbraw/zinc/61/74/00/1121617400.db2.gz OJQBLGLXUIQXEX-UHFFFAOYSA-N 0 1 287.750 3.529 20 0 CHADMN Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NCc1c[nH]cn1 ZINC000894130978 1121618121 /nfs/dbraw/zinc/61/81/21/1121618121.db2.gz KKTIYAUJMANUFI-CQSZACIVSA-N 0 1 284.407 3.709 20 0 CHADMN CC[C@H](C[N@H+]1CCC[C@@H]1c1ccc(F)cc1F)OC ZINC000419283400 1121618268 /nfs/dbraw/zinc/61/82/68/1121618268.db2.gz NARGEDFWLFBVQQ-IUODEOHRSA-N 0 1 269.335 3.527 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CC[C@@H](COC(F)F)C1 ZINC000512840256 1121619402 /nfs/dbraw/zinc/61/94/02/1121619402.db2.gz MNRNHGPVXOLMMJ-VHSXEESVSA-N 0 1 291.288 3.587 20 0 CHADMN CC1(C)CC(Nc2ccccc2CN2CCSCC2)C1 ZINC000433223914 1121622912 /nfs/dbraw/zinc/62/29/12/1121622912.db2.gz UYAFTFWYSDFICR-UHFFFAOYSA-N 0 1 290.476 3.836 20 0 CHADMN CC[C@@H](CN1CCCC[C@@H]1c1nc2ccccc2[nH]1)OC ZINC000419287503 1121622968 /nfs/dbraw/zinc/62/29/68/1121622968.db2.gz RKPGBJAYBFFZHA-XJKSGUPXSA-N 0 1 287.407 3.515 20 0 CHADMN CSC[C@@H]1CCCN1Cc1cscc1Cl ZINC000611274702 1121634383 /nfs/dbraw/zinc/63/43/83/1121634383.db2.gz JWTLWTXUDQTCGZ-JTQLQIEISA-N 0 1 261.843 3.729 20 0 CHADMN CN(Cc1nc(C(C)(C)C)no1)C1CCCCCC1 ZINC000074254649 1121635526 /nfs/dbraw/zinc/63/55/26/1121635526.db2.gz YECJGHQNAGQWBP-UHFFFAOYSA-N 0 1 265.401 3.522 20 0 CHADMN CCc1ccc(CN2CCc3cccc(OC)c3C2)cc1 ZINC001204173572 1121636193 /nfs/dbraw/zinc/63/61/93/1121636193.db2.gz CVAOSYNZHQYRSR-UHFFFAOYSA-N 0 1 281.399 3.816 20 0 CHADMN COc1ccc(CN2CCCC[C@@H]2c2cc(C)[nH]n2)cc1C ZINC001176484921 1121637548 /nfs/dbraw/zinc/63/75/48/1121637548.db2.gz KHIGHMYYHXDNFU-QGZVFWFLSA-N 0 1 299.418 3.762 20 0 CHADMN COc1ccc(CN2CCCC[C@@H]2c2cc(C)n[nH]2)cc1C ZINC001176484921 1121637551 /nfs/dbraw/zinc/63/75/51/1121637551.db2.gz KHIGHMYYHXDNFU-QGZVFWFLSA-N 0 1 299.418 3.762 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1nccc2c1CCCC2 ZINC000894141901 1121654872 /nfs/dbraw/zinc/65/48/72/1121654872.db2.gz JSNMXIDRWQIKPX-SMDDNHRTSA-N 0 1 298.352 3.733 20 0 CHADMN CCc1cccc(NS(=O)(=O)c2ccsc2)c1CC ZINC000507965570 1121663932 /nfs/dbraw/zinc/66/39/32/1121663932.db2.gz BNXBNVDWFCJGMJ-UHFFFAOYSA-N 0 1 295.429 3.674 20 0 CHADMN CN(Cc1nc(C2CC2)no1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419337122 1121667016 /nfs/dbraw/zinc/66/70/16/1121667016.db2.gz XZITVFQHINUCHD-CHWSQXEVSA-N 0 1 277.412 3.594 20 0 CHADMN C[C@@]1(O)CCC[N@@H+](Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000894146343 1121668025 /nfs/dbraw/zinc/66/80/25/1121668025.db2.gz VETBEXXUDCMVJT-OAHLLOKOSA-N 0 1 287.325 3.500 20 0 CHADMN CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2cccs2)cn1 ZINC000162716173 1121668871 /nfs/dbraw/zinc/66/88/71/1121668871.db2.gz UYYBTDBPTOEODJ-AWEZNQCLSA-N 0 1 287.432 3.546 20 0 CHADMN CC(C)c1noc(CN2CCC[C@@H]2CCc2ccccc2)n1 ZINC000052105828 1121674396 /nfs/dbraw/zinc/67/43/96/1121674396.db2.gz FXIXBXXBVXKHQP-MRXNPFEDSA-N 0 1 299.418 3.790 20 0 CHADMN FC(F)COc1ccc(CN2CCCC2)c(Cl)c1 ZINC000664102782 1121679196 /nfs/dbraw/zinc/67/91/96/1121679196.db2.gz ZTXZZWNXJQNSOS-UHFFFAOYSA-N 0 1 275.726 3.580 20 0 CHADMN CC(C)N(Cc1cccc(F)c1)Cc1ccccn1 ZINC000052217949 1121680527 /nfs/dbraw/zinc/68/05/27/1121680527.db2.gz VXVFDRWZLGZCFA-UHFFFAOYSA-N 0 1 258.340 3.631 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)co2)[C@H]2CCCC[C@@H]12 ZINC001307605288 1121686581 /nfs/dbraw/zinc/68/65/81/1121686581.db2.gz YTYKVZUGLIEQAD-RDBSUJKOSA-N 0 1 276.424 3.983 20 0 CHADMN CCCCN(C)[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000727057519 1121691194 /nfs/dbraw/zinc/69/11/94/1121691194.db2.gz SMFNIRLATGVBGV-ZDUSSCGKSA-N 0 1 273.380 3.838 20 0 CHADMN CC(C)OCCN(C)[C@@H](C)c1ccccc1Cl ZINC000052162782 1121692549 /nfs/dbraw/zinc/69/25/49/1121692549.db2.gz MFOISLGVCIVNIK-LBPRGKRZSA-N 0 1 255.789 3.758 20 0 CHADMN CC(C)OCCN(C)[C@H](C)c1ccccc1Cl ZINC000052162783 1121692651 /nfs/dbraw/zinc/69/26/51/1121692651.db2.gz MFOISLGVCIVNIK-GFCCVEGCSA-N 0 1 255.789 3.758 20 0 CHADMN Cc1ccc(-c2noc(CN(C)CCC(C)C)n2)cc1 ZINC000052245623 1121698070 /nfs/dbraw/zinc/69/80/70/1121698070.db2.gz RJMLSSLHSBJDQV-UHFFFAOYSA-N 0 1 273.380 3.523 20 0 CHADMN Cc1cccnc1[C@H](C)NCc1ccc(F)c(F)c1 ZINC001176899408 1121701935 /nfs/dbraw/zinc/70/19/35/1121701935.db2.gz ZSEVVXAABAJCCX-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN Cc1nc(C[N@H+]2CC=CC23CCCCC3)sc1C ZINC001176995386 1121705375 /nfs/dbraw/zinc/70/53/75/1121705375.db2.gz LGZHUQJDSKFLRD-UHFFFAOYSA-N 0 1 262.422 3.835 20 0 CHADMN Cc1ccc(NC(=O)CN2CC=CC23CCCCC3)c(C)c1 ZINC001176994649 1121705454 /nfs/dbraw/zinc/70/54/54/1121705454.db2.gz AYHJZGMMTKTLDQ-UHFFFAOYSA-N 0 1 298.430 3.817 20 0 CHADMN CCc1ccc2c(c1)CN(Cc1scnc1C)CC2 ZINC001177033370 1121706766 /nfs/dbraw/zinc/70/67/66/1121706766.db2.gz FJFKNRPDIFKOAW-UHFFFAOYSA-N 0 1 272.417 3.572 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(Cl)o2)cc1C ZINC000513089245 1121708652 /nfs/dbraw/zinc/70/86/52/1121708652.db2.gz MTRMMAKFRFQFHM-UHFFFAOYSA-N 0 1 279.767 3.882 20 0 CHADMN C[C@H]1CC=C(C(=O)Nc2nc3ccc(Cl)cc3[nH]2)CC1 ZINC001177128400 1121711952 /nfs/dbraw/zinc/71/19/52/1121711952.db2.gz LCVINZRQARGBQP-VIFPVBQESA-N 0 1 289.766 3.901 20 0 CHADMN Cc1cccc(CCN[C@@H](C)c2csc(C(C)C)n2)n1 ZINC000280046026 1121715953 /nfs/dbraw/zinc/71/59/53/1121715953.db2.gz JFYGFWYWNZVBEM-ZDUSSCGKSA-N 0 1 289.448 3.863 20 0 CHADMN Cc1noc([C@H](C)N2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000727439484 1121719195 /nfs/dbraw/zinc/71/91/95/1121719195.db2.gz MYMRYWRUTZHQCC-XJKSGUPXSA-N 0 1 285.391 3.709 20 0 CHADMN Fc1cccc(Br)c1CN[C@@H]1CC[C@H](F)C1 ZINC000336698707 1121721999 /nfs/dbraw/zinc/72/19/99/1121721999.db2.gz MVUUNSRZSHNWHB-DTWKUNHWSA-N 0 1 290.151 3.568 20 0 CHADMN CCCn1nc(C)c(CN(C)Cc2ccccc2)c1C ZINC000154469296 1121726580 /nfs/dbraw/zinc/72/65/80/1121726580.db2.gz DRPHNXMYINUJAZ-UHFFFAOYSA-N 0 1 271.408 3.542 20 0 CHADMN CC(C)(C)c1coc(C[N@@H+](CC2CC2)C2CCC2)n1 ZINC000894186349 1121727593 /nfs/dbraw/zinc/72/75/93/1121727593.db2.gz ATHYHEAOTMELHC-UHFFFAOYSA-N 0 1 262.397 3.737 20 0 CHADMN C[C@@H](c1nc([C@@H]2Cc3ccccc32)no1)N1[C@H](C)CC[C@@H]1C ZINC000527198226 1121729780 /nfs/dbraw/zinc/72/97/80/1121729780.db2.gz YXRWLOQOMDUZLZ-RSUWNVLCSA-N 0 1 297.402 3.691 20 0 CHADMN Fc1ccc(C2(NCc3cnsc3)CCCC2)cc1 ZINC001177594545 1121740902 /nfs/dbraw/zinc/74/09/02/1121740902.db2.gz JVFMUDPIEHEKHX-UHFFFAOYSA-N 0 1 276.380 3.841 20 0 CHADMN Cn1cc(Cl)c(CNCCCCCc2ccccc2)n1 ZINC001177631248 1121742923 /nfs/dbraw/zinc/74/29/23/1121742923.db2.gz DOSWIUUYBTVVLC-UHFFFAOYSA-N 0 1 291.826 3.576 20 0 CHADMN CN1Cc2ccccc2[C@H](NCc2cc3ccccc3o2)C1 ZINC000536055193 1121745124 /nfs/dbraw/zinc/74/51/24/1121745124.db2.gz HVCOJFUZMJJKAI-GOSISDBHSA-N 0 1 292.382 3.709 20 0 CHADMN CN1Cc2ccccc2[C@H](Nc2nc3ccccc3s2)C1 ZINC000535263895 1121746027 /nfs/dbraw/zinc/74/60/27/1121746027.db2.gz CBKPPWSMZMMRBT-OAHLLOKOSA-N 0 1 295.411 3.895 20 0 CHADMN CCC(N)=NOCCCOc1ccc2ccccc2c1 ZINC000727827566 1121748984 /nfs/dbraw/zinc/74/89/84/1121748984.db2.gz HIQPCKVWPVBURN-UHFFFAOYSA-N 0 1 272.348 3.517 20 0 CHADMN C[C@@H](N[C@@H]1C=CCC1)c1sccc1Br ZINC000698325043 1121756146 /nfs/dbraw/zinc/75/61/46/1121756146.db2.gz AECNUPSDJVZHCX-RKDXNWHRSA-N 0 1 272.211 3.880 20 0 CHADMN CCCc1ccc(CNc2ccc3nn[nH]c3c2)s1 ZINC001178046098 1121763919 /nfs/dbraw/zinc/76/39/19/1121763919.db2.gz JCQASZQVDQLCNU-UHFFFAOYSA-N 0 1 272.377 3.584 20 0 CHADMN CCCc1ccc(CNc2ccc3n[nH]nc3c2)s1 ZINC001178046098 1121763925 /nfs/dbraw/zinc/76/39/25/1121763925.db2.gz JCQASZQVDQLCNU-UHFFFAOYSA-N 0 1 272.377 3.584 20 0 CHADMN COc1ccc(Br)c(CN[C@H]2C=CCCC2)c1 ZINC001178059206 1121764420 /nfs/dbraw/zinc/76/44/20/1121764420.db2.gz COIMORBLQAYGMI-LBPRGKRZSA-N 0 1 296.208 3.656 20 0 CHADMN Clc1ccc(CNc2ccc3nn[nH]c3c2)c(Cl)c1 ZINC001178046346 1121764398 /nfs/dbraw/zinc/76/43/98/1121764398.db2.gz QQIHEKZBRIWQMT-UHFFFAOYSA-N 0 1 293.157 3.877 20 0 CHADMN Clc1ccc(CNc2ccc3n[nH]nc3c2)c(Cl)c1 ZINC001178046346 1121764404 /nfs/dbraw/zinc/76/44/04/1121764404.db2.gz QQIHEKZBRIWQMT-UHFFFAOYSA-N 0 1 293.157 3.877 20 0 CHADMN Cc1ccccc1[C@@H](N[C@H](C)c1ncc[nH]1)C1CC1 ZINC000286244485 1121767729 /nfs/dbraw/zinc/76/77/29/1121767729.db2.gz UCZCFLPWRNLHIP-DOMZBBRYSA-N 0 1 255.365 3.520 20 0 CHADMN Fc1ccc(CNCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000167940411 1121770211 /nfs/dbraw/zinc/77/02/11/1121770211.db2.gz AXEIWJKCOQARQW-UHFFFAOYSA-N 0 1 299.267 3.856 20 0 CHADMN CC[C@@H](NCc1cncn1C)c1ccc(Cl)c(Cl)c1 ZINC000289823061 1121772969 /nfs/dbraw/zinc/77/29/69/1121772969.db2.gz PBOPLQDKIIEKEU-CQSZACIVSA-N 0 1 298.217 3.968 20 0 CHADMN CC(C)c1cc(CN[C@@H]2c3ccccc3C[C@@H]2C)on1 ZINC000169236625 1121773761 /nfs/dbraw/zinc/77/37/61/1121773761.db2.gz BOTFOOOQDSHBQL-SJCJKPOMSA-N 0 1 270.376 3.821 20 0 CHADMN FC(F)(F)c1cccc(OC2CN([C@H]3C[C@H]4C[C@H]4C3)C2)c1 ZINC001167939234 1121775306 /nfs/dbraw/zinc/77/53/06/1121775306.db2.gz LEELRCKJNOUYEH-PJXYFTJBSA-N 0 1 297.320 3.567 20 0 CHADMN C[C@]1(F)CCCN(Cc2cc(F)ccc2F)CC1 ZINC001204214284 1121776998 /nfs/dbraw/zinc/77/69/98/1121776998.db2.gz UCTIQGUMWCEXRH-AWEZNQCLSA-N 0 1 257.299 3.679 20 0 CHADMN CC(C)c1nc([C@@H](C)NCc2ccc(Cl)c(F)c2)n[nH]1 ZINC001178409998 1121785938 /nfs/dbraw/zinc/78/59/38/1121785938.db2.gz ZXIOEYVCMDOJLV-SECBINFHSA-N 0 1 296.777 3.571 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCCCCCC2)n1 ZINC000726881543 1121789265 /nfs/dbraw/zinc/78/92/65/1121789265.db2.gz MLDXVVXXLFVBOB-UHFFFAOYSA-N 0 1 285.391 3.811 20 0 CHADMN CCn1cnc(Cl)c1CN[C@H](CC(F)(F)F)C(C)C ZINC001178510291 1121792443 /nfs/dbraw/zinc/79/24/43/1121792443.db2.gz WYVUFHZHVYWWDE-SECBINFHSA-N 0 1 297.752 3.623 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000634697615 1129009488 /nfs/dbraw/zinc/00/94/88/1129009488.db2.gz NGSVHGSSQKGEDA-NSHDSACASA-N 0 1 281.396 3.654 20 0 CHADMN C[N@@H+](CCS[C@H]1CCC(C)(C)C1=O)Cc1ccccc1 ZINC000413002340 1121793242 /nfs/dbraw/zinc/79/32/42/1121793242.db2.gz FMUGECGPKQHOAX-HNNXBMFYSA-N 0 1 291.460 3.609 20 0 CHADMN CCCN(C)CC(=O)Nc1ccc(-c2ccccc2)cc1C ZINC000730276036 1121799994 /nfs/dbraw/zinc/79/99/94/1121799994.db2.gz FJIVMLIGAYNUIE-UHFFFAOYSA-N 0 1 296.414 3.942 20 0 CHADMN Fc1ccccc1[C@@H]1CCN(Cc2cccnc2Cl)C1 ZINC000730432235 1121809637 /nfs/dbraw/zinc/80/96/37/1121809637.db2.gz APTVYSAFFGENGB-GFCCVEGCSA-N 0 1 290.769 3.864 20 0 CHADMN Clc1ccc(CNc2cccc3[nH]nnc32)cc1Cl ZINC001178748751 1121810959 /nfs/dbraw/zinc/81/09/59/1121810959.db2.gz WODWTQSGEUUCMN-UHFFFAOYSA-N 0 1 293.157 3.877 20 0 CHADMN CC[C@H]1CCC[C@@H](CNc2cccc3[nH]nnc32)C1 ZINC001178748641 1121811205 /nfs/dbraw/zinc/81/12/05/1121811205.db2.gz VTBBURRUESHWDE-NWDGAFQWSA-N 0 1 258.369 3.586 20 0 CHADMN CCc1oc2ccccc2c1CNc1cccc2[nH]nnc21 ZINC001178754391 1121814170 /nfs/dbraw/zinc/81/41/70/1121814170.db2.gz LXWSDILYLIYUMV-UHFFFAOYSA-N 0 1 292.342 3.879 20 0 CHADMN C[C@@H](NC/C=C/c1ccc(F)cc1)c1ccncc1F ZINC000509932100 1121826408 /nfs/dbraw/zinc/82/64/08/1121826408.db2.gz BIMPYDFAYMGXPV-QAVQXKDTSA-N 0 1 274.314 3.724 20 0 CHADMN CC(C)SCC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000619779515 1129012212 /nfs/dbraw/zinc/01/22/12/1129012212.db2.gz HXJPYEAGPAOPIF-CQSZACIVSA-N 0 1 253.386 3.714 20 0 CHADMN CC(C)SCCN1CC[C@@H]1c1cccc(F)c1 ZINC000619779515 1129012214 /nfs/dbraw/zinc/01/22/14/1129012214.db2.gz HXJPYEAGPAOPIF-CQSZACIVSA-N 0 1 253.386 3.714 20 0 CHADMN CC[C@@](C)(NCc1nc2ccccc2[nH]1)c1ccccc1 ZINC000730816896 1121830264 /nfs/dbraw/zinc/83/02/64/1121830264.db2.gz CRBDSXNZHSGXQQ-GOSISDBHSA-N 0 1 279.387 3.978 20 0 CHADMN CC[C@](C)(NCc1nc2ccccc2[nH]1)c1ccccc1 ZINC000730816897 1121830315 /nfs/dbraw/zinc/83/03/15/1121830315.db2.gz CRBDSXNZHSGXQQ-SFHVURJKSA-N 0 1 279.387 3.978 20 0 CHADMN COc1cc(CN2CCC23CCCCC3)cnc1Cl ZINC001249916456 1121842732 /nfs/dbraw/zinc/84/27/32/1121842732.db2.gz DNRITRXMJDQGSD-UHFFFAOYSA-N 0 1 280.799 3.652 20 0 CHADMN Cc1ccc(NC(=O)c2cc(-c3ccco3)n[nH]2)cc1C ZINC000345154240 1121847526 /nfs/dbraw/zinc/84/75/26/1121847526.db2.gz VNSSBVORRPUZCX-UHFFFAOYSA-N 0 1 281.315 3.539 20 0 CHADMN COC(C)(C)CCN[C@@H](c1nccs1)c1ccccc1 ZINC000345155571 1121848253 /nfs/dbraw/zinc/84/82/53/1121848253.db2.gz JBMXTCHYZOMOTQ-CQSZACIVSA-N 0 1 290.432 3.637 20 0 CHADMN CCCC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(C)[nH]n1 ZINC001179152027 1121853255 /nfs/dbraw/zinc/85/32/55/1121853255.db2.gz IXCDTMKHOPVOLR-DOMZBBRYSA-N 0 1 277.412 3.598 20 0 CHADMN COc1ccc2c(c1)CC[C@H]2N[C@@H]1COCc2ccccc21 ZINC000631640376 1129016853 /nfs/dbraw/zinc/01/68/53/1129016853.db2.gz APSFSACUIONDNN-RTBURBONSA-N 0 1 295.382 3.544 20 0 CHADMN FC(F)(F)Sc1cccc(CN2CCCOCC2)c1 ZINC000781326690 1121862287 /nfs/dbraw/zinc/86/22/87/1121862287.db2.gz JOGUVXYFSGRDJR-UHFFFAOYSA-N 0 1 291.338 3.521 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1ccc(Cl)cn1)c1cnn(C)c1 ZINC001119708674 1121863300 /nfs/dbraw/zinc/86/33/00/1121863300.db2.gz AVEAQRZBXFLTQX-NHYWBVRUSA-N 0 1 292.814 3.516 20 0 CHADMN C[C@@H](NC/C=C/c1cccc(F)c1)c1ccns1 ZINC001179299703 1121868444 /nfs/dbraw/zinc/86/84/44/1121868444.db2.gz WLZGOXGAAXCXNY-JOAKQRRISA-N 0 1 262.353 3.646 20 0 CHADMN CC(C)(F)CNCc1cc(Br)ccc1Cl ZINC001179314392 1121871792 /nfs/dbraw/zinc/87/17/92/1121871792.db2.gz BMXMSSUVFAOZQV-UHFFFAOYSA-N 0 1 294.595 3.940 20 0 CHADMN CCC1CCN(Cn2ccc(-c3cccs3)n2)CC1 ZINC000731659533 1121877132 /nfs/dbraw/zinc/87/71/32/1121877132.db2.gz JTWUZNZTRHDLMM-UHFFFAOYSA-N 0 1 275.421 3.691 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H]2CCCc3ncccc32)c2ccccc2O1 ZINC000631633090 1129015400 /nfs/dbraw/zinc/01/54/00/1129015400.db2.gz UVIZSEUSKFYVJG-JEBQAFNWSA-N 0 1 294.398 3.961 20 0 CHADMN [O-]c1ccc(C[NH2+]C/C=C\c2cccc(F)c2)cc1Cl ZINC001179507160 1121887308 /nfs/dbraw/zinc/88/73/08/1121887308.db2.gz QZHSQPRSEPHRFB-RQOWECAXSA-N 0 1 291.753 3.988 20 0 CHADMN Cc1nc2ccc(NC(=O)C[C@H]3CC[C@@H](C)C3)cc2[nH]1 ZINC000345532000 1121892067 /nfs/dbraw/zinc/89/20/67/1121892067.db2.gz ALMAENQIVWZBCB-PWSUYJOCSA-N 0 1 271.364 3.636 20 0 CHADMN CCC(CC)CC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000345552920 1121893050 /nfs/dbraw/zinc/89/30/50/1121893050.db2.gz VEPHRLWMURNVPX-UHFFFAOYSA-N 0 1 259.353 3.636 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]2Cc2cccc(F)c2)nc1 ZINC000345779007 1121914262 /nfs/dbraw/zinc/91/42/62/1121914262.db2.gz XASAFHLIWRMHPD-QGZVFWFLSA-N 0 1 288.341 3.567 20 0 CHADMN C[C@@H](NC(=O)C1CCCC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000732545799 1121926757 /nfs/dbraw/zinc/92/67/57/1121926757.db2.gz YEHJUNBRFXIBEX-SECBINFHSA-N 0 1 291.782 3.584 20 0 CHADMN CCCCc1nc(CN2CCC[C@@]2(C)CCCO)cs1 ZINC000345921532 1121929225 /nfs/dbraw/zinc/92/92/25/1121929225.db2.gz CQMBNZFPPHTSOQ-INIZCTEOSA-N 0 1 296.480 3.613 20 0 CHADMN CCCCc1nc(CN2CCC[C@]2(C)CCCO)cs1 ZINC000345921534 1121929852 /nfs/dbraw/zinc/92/98/52/1121929852.db2.gz CQMBNZFPPHTSOQ-MRXNPFEDSA-N 0 1 296.480 3.613 20 0 CHADMN C[C@@H]1CCN(Cc2sc(N3CCCC3)nc2Cl)[C@H]1C ZINC001179979777 1121931476 /nfs/dbraw/zinc/93/14/76/1121931476.db2.gz JUHPAFBFDVJKKW-MNOVXSKESA-N 0 1 299.871 3.627 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(F)c2OC(F)(F)F)[C@H]1C ZINC001179980954 1121932833 /nfs/dbraw/zinc/93/28/33/1121932833.db2.gz UYGNEZIITDZFPU-ZJUUUORDSA-N 0 1 291.288 3.955 20 0 CHADMN CC[C@]1(C)CCC[N@H+](Cc2ccc([O-])c(F)c2)C1 ZINC001179956630 1121934342 /nfs/dbraw/zinc/93/43/42/1121934342.db2.gz HKDXXXVXKRTHEQ-OAHLLOKOSA-N 0 1 251.345 3.543 20 0 CHADMN CC[C@]1(C)CCC[N@@H+](Cc2ccc([O-])c(F)c2)C1 ZINC001179956630 1121934348 /nfs/dbraw/zinc/93/43/48/1121934348.db2.gz HKDXXXVXKRTHEQ-OAHLLOKOSA-N 0 1 251.345 3.543 20 0 CHADMN CCCC1CCN(Cc2cnc(F)cc2C)CC1 ZINC001180064698 1121946609 /nfs/dbraw/zinc/94/66/09/1121946609.db2.gz SGSQGEDLYFQYLM-UHFFFAOYSA-N 0 1 250.361 3.541 20 0 CHADMN Clc1cc2nc(OC3CCCC3)[nH]c2c(Cl)n1 ZINC001231044528 1121948210 /nfs/dbraw/zinc/94/82/10/1121948210.db2.gz JWGOEJGDGQHONS-UHFFFAOYSA-N 0 1 272.135 3.586 20 0 CHADMN COc1cnc(F)c(CN2CCC[C@@H]2CCC(C)C)c1 ZINC001180136418 1121950202 /nfs/dbraw/zinc/95/02/02/1121950202.db2.gz BJJMCFXSEICWEX-CQSZACIVSA-N 0 1 280.387 3.630 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1cnn(CC2CCC2)c1 ZINC001180097988 1121953388 /nfs/dbraw/zinc/95/33/88/1121953388.db2.gz ISWLFNRXVWHKLK-HNNXBMFYSA-N 0 1 295.430 3.630 20 0 CHADMN Cc1cc(CN2CCC(CCc3ccccc3)CC2)[nH]n1 ZINC001120041012 1121954097 /nfs/dbraw/zinc/95/40/97/1121954097.db2.gz VZAXEFIZDGBGFF-UHFFFAOYSA-N 0 1 283.419 3.563 20 0 CHADMN CCc1ncc(CN2CC[C@H](C)[C@@H]2c2cccc(F)c2)cn1 ZINC000414419511 1121957982 /nfs/dbraw/zinc/95/79/82/1121957982.db2.gz ZTNNGOHCQVDRLW-SCLBCKFNSA-N 0 1 299.393 3.761 20 0 CHADMN Cc1cccc(OCCN(C)Cc2cccn2C2CC2)c1 ZINC001180161709 1121960509 /nfs/dbraw/zinc/96/05/09/1121960509.db2.gz NCXSPJIKYMDBNF-UHFFFAOYSA-N 0 1 284.403 3.642 20 0 CHADMN CCC(CC)N(Cc1nc(Cl)cs1)C1CC1 ZINC001180161634 1121960634 /nfs/dbraw/zinc/96/06/34/1121960634.db2.gz JZNPOIXCHRGSQL-UHFFFAOYSA-N 0 1 258.818 3.950 20 0 CHADMN Cc1coc(C[N@@H+]2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)c1 ZINC001180169347 1121961010 /nfs/dbraw/zinc/96/10/10/1121961010.db2.gz GIUSDWMAIUOFLD-KRWDZBQOSA-N 0 1 298.430 3.916 20 0 CHADMN Cc1coc(CN2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)c1 ZINC001180169347 1121961018 /nfs/dbraw/zinc/96/10/18/1121961018.db2.gz GIUSDWMAIUOFLD-KRWDZBQOSA-N 0 1 298.430 3.916 20 0 CHADMN CCC[C@H]1CN(Cc2ccc(C3CC3)cc2)CCO1 ZINC001180203406 1121962384 /nfs/dbraw/zinc/96/23/84/1121962384.db2.gz RCXHOKKPQMFEIW-KRWDZBQOSA-N 0 1 259.393 3.565 20 0 CHADMN CCn1cc(CN2CCCCC[C@H]2c2cccc(C)c2)nn1 ZINC001180208713 1121962959 /nfs/dbraw/zinc/96/29/59/1121962959.db2.gz PIRZPLRHKSNLGW-SFHVURJKSA-N 0 1 298.434 3.724 20 0 CHADMN CC1(C)CN(Cc2ccc3c(c2)OCCCCO3)C1(C)C ZINC001180203230 1121963395 /nfs/dbraw/zinc/96/33/95/1121963395.db2.gz MMHQVHBUDCCQSN-UHFFFAOYSA-N 0 1 289.419 3.858 20 0 CHADMN CC[C@@H]1CN(Cc2cc3c(cccc3C)[nH]2)CCS1 ZINC001180199417 1121966738 /nfs/dbraw/zinc/96/67/38/1121966738.db2.gz SPYJZIOQHUGPPY-CQSZACIVSA-N 0 1 274.433 3.804 20 0 CHADMN Clc1ncc(CN2CC[C@H](Cc3ccccc3)C2)s1 ZINC000079325539 1129021489 /nfs/dbraw/zinc/02/14/89/1129021489.db2.gz XCBAASNGYFGHSX-CYBMUJFWSA-N 0 1 292.835 3.861 20 0 CHADMN CC[C@H]1CN(Cc2cc3c(cccc3C)[nH]2)CCS1 ZINC001180199416 1121967893 /nfs/dbraw/zinc/96/78/93/1121967893.db2.gz SPYJZIOQHUGPPY-AWEZNQCLSA-N 0 1 274.433 3.804 20 0 CHADMN CCCOc1ccc(CN2C[C@@H](C)O[C@H](CC)C2)c(C)c1 ZINC001180279944 1121975298 /nfs/dbraw/zinc/97/52/98/1121975298.db2.gz FARFOYNXUSGJGR-NVXWUHKLSA-N 0 1 291.435 3.783 20 0 CHADMN [O-]c1ccc(C[NH2+]Cc2cnc3ccccc3c2)cc1Cl ZINC000733325960 1121976400 /nfs/dbraw/zinc/97/64/00/1121976400.db2.gz AXYNGHKKMLUDAU-UHFFFAOYSA-N 0 1 298.773 3.884 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2CCCc3ccc(O)cc32)s1 ZINC000631707594 1129022428 /nfs/dbraw/zinc/02/24/28/1129022428.db2.gz IUJNPAHVEPPZJV-ZUZCIYMTSA-N 0 1 288.416 3.885 20 0 CHADMN Cc1ccc2nc(CNC(=O)C3(CC(C)C)CCC3)[nH]c2c1 ZINC000176660454 1121979081 /nfs/dbraw/zinc/97/90/81/1121979081.db2.gz MKPIIIGZZSJKRG-UHFFFAOYSA-N 0 1 299.418 3.704 20 0 CHADMN CCN(CC)CC(=O)Nc1cccc2c1[C@H](C)CC2(C)C ZINC001180389576 1121983050 /nfs/dbraw/zinc/98/30/50/1121983050.db2.gz MMNCVMXVYFZPSC-CYBMUJFWSA-N 0 1 288.435 3.752 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2CCCc3c(O)cccc32)s1 ZINC000631708450 1129022840 /nfs/dbraw/zinc/02/28/40/1129022840.db2.gz OGSKWZJOSBFTOE-IINYFYTJSA-N 0 1 288.416 3.885 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)[C@@H](C)N2CCCC2)cc1 ZINC001180576345 1121997407 /nfs/dbraw/zinc/99/74/07/1121997407.db2.gz MVHARFALRGARCC-ZIAGYGMSSA-N 0 1 274.408 3.623 20 0 CHADMN CCc1nc2c(s1)[C@H](NCc1ccc(C)o1)CCC2 ZINC000631727440 1129024617 /nfs/dbraw/zinc/02/46/17/1129024617.db2.gz AYJJPYZAGMKQAM-GFCCVEGCSA-N 0 1 276.405 3.774 20 0 CHADMN CCn1c2cccc(F)c2nc1C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000501783821 1122007356 /nfs/dbraw/zinc/00/73/56/1122007356.db2.gz AIVGDZOYSIVICF-OLZOCXBDSA-N 0 1 289.398 3.673 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CC[C@@H](C)[C@@H](C)C1 ZINC000501783821 1122007362 /nfs/dbraw/zinc/00/73/62/1122007362.db2.gz AIVGDZOYSIVICF-OLZOCXBDSA-N 0 1 289.398 3.673 20 0 CHADMN CCc1cccc(OCCN2CCc3sccc3C2)c1 ZINC000501777660 1122008245 /nfs/dbraw/zinc/00/82/45/1122008245.db2.gz FXJSIPJLPRSTKA-UHFFFAOYSA-N 0 1 287.428 3.748 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000501787377 1122008653 /nfs/dbraw/zinc/00/86/53/1122008653.db2.gz WPGCQHUOMYRVHD-BPUTZDHNSA-N 0 1 288.435 3.608 20 0 CHADMN C[C@@H]1CCN(Cc2nc3cc(Cl)ccc3n2C)C[C@H]1C ZINC000501811671 1122009637 /nfs/dbraw/zinc/00/96/37/1122009637.db2.gz IGJTVMBEDQDRQN-VXGBXAGGSA-N 0 1 291.826 3.705 20 0 CHADMN CN(Cc1cnc[nH]1)c1ccc(-c2ccccc2)cc1 ZINC001180751149 1122011082 /nfs/dbraw/zinc/01/10/82/1122011082.db2.gz IHGIAUSZISSLKF-UHFFFAOYSA-N 0 1 263.344 3.713 20 0 CHADMN CN(Cc1ccc(O)c(F)c1)Cc1ccc(F)c(Cl)c1 ZINC001180872997 1122020637 /nfs/dbraw/zinc/02/06/37/1122020637.db2.gz IUDTUUQXJHLEHR-UHFFFAOYSA-N 0 1 297.732 3.956 20 0 CHADMN CCC[C@@H](C)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000501902315 1122022190 /nfs/dbraw/zinc/02/21/90/1122022190.db2.gz XCSHDGXPEOZHLA-BXKDBHETSA-N 0 1 276.207 3.805 20 0 CHADMN CC[C@H](C)[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000501951049 1122027528 /nfs/dbraw/zinc/02/75/28/1122027528.db2.gz OAIONSQEJGYHFD-NSHDSACASA-N 0 1 260.356 3.854 20 0 CHADMN CC[C@H](C)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000501951049 1122027536 /nfs/dbraw/zinc/02/75/36/1122027536.db2.gz OAIONSQEJGYHFD-NSHDSACASA-N 0 1 260.356 3.854 20 0 CHADMN CCCC[C@H](C)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000502021868 1122030811 /nfs/dbraw/zinc/03/08/11/1122030811.db2.gz BAENAMACHWXGLV-JTQLQIEISA-N 0 1 259.353 3.636 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc2ccccc2n1 ZINC000631754591 1129027939 /nfs/dbraw/zinc/02/79/39/1129027939.db2.gz MANLFEMVTOVGKE-GLXFQSAKSA-N 0 1 280.293 3.836 20 0 CHADMN Cc1nc2c(s1)CN(Cc1c(C)[nH]c3ccccc31)CC2 ZINC001204289829 1122033528 /nfs/dbraw/zinc/03/35/28/1122033528.db2.gz VCTWHTNQOQRWMC-UHFFFAOYSA-N 0 1 297.427 3.800 20 0 CHADMN C[C@H](NCC1(c2ccc(Cl)cc2)CC1)c1ncco1 ZINC000924927055 1122035167 /nfs/dbraw/zinc/03/51/67/1122035167.db2.gz ZVJZWHJHPIKGDM-NSHDSACASA-N 0 1 276.767 3.710 20 0 CHADMN Cc1cc(C)cc(CCN2CCOc3cccc(F)c3C2)c1 ZINC001181196748 1122041430 /nfs/dbraw/zinc/04/14/30/1122041430.db2.gz XMHGQJQMQMICRE-UHFFFAOYSA-N 0 1 299.389 3.880 20 0 CHADMN CO[C@@H](C)c1nc(CN2CC[C@H](C3CCCC3)C2)cs1 ZINC000420958238 1122050292 /nfs/dbraw/zinc/05/02/92/1122050292.db2.gz BPSHNUNJUOQTNE-JSGCOSHPSA-N 0 1 294.464 3.863 20 0 CHADMN CC(C)c1noc([C@H](C)N2CC[C@H](C3CCCC3)C2)n1 ZINC000420959363 1122051748 /nfs/dbraw/zinc/05/17/48/1122051748.db2.gz DOHYKDKBQJHYMW-JSGCOSHPSA-N 0 1 277.412 3.766 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(F)c(F)c1 ZINC000631755783 1129028280 /nfs/dbraw/zinc/02/82/80/1129028280.db2.gz FKPPKFGJMVKSKV-FMTFEUNWSA-N 0 1 265.225 3.566 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631756513 1129028358 /nfs/dbraw/zinc/02/83/58/1129028358.db2.gz MLUDKQXOIBKYOP-YUSALJHKSA-N 0 1 273.298 3.605 20 0 CHADMN COc1cc(CN[C@H](CC(F)F)c2ccccc2)ccn1 ZINC000420995236 1122057298 /nfs/dbraw/zinc/05/72/98/1122057298.db2.gz OHNWDHOFBRVVFV-CQSZACIVSA-N 0 1 292.329 3.576 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1OC(F)F ZINC000631756970 1129028652 /nfs/dbraw/zinc/02/86/52/1129028652.db2.gz SWDZQMKQDFRUBI-SZEHBUNVSA-N 0 1 295.251 3.889 20 0 CHADMN c1ccc(Oc2cccc(CN3CC[C@@]34CCOC4)c2)cc1 ZINC000421029654 1122061993 /nfs/dbraw/zinc/06/19/93/1122061993.db2.gz XLNUKSXSJPNHFX-IBGZPJMESA-N 0 1 295.382 3.844 20 0 CHADMN FC[C@@H](N[C@H]1CCC12CCC2)c1ccc(F)cc1 ZINC000631798609 1129029436 /nfs/dbraw/zinc/02/94/36/1129029436.db2.gz WERUMAMWMCTPRG-KGLIPLIRSA-N 0 1 251.320 3.759 20 0 CHADMN COc1ccc(F)cc1[C@H](C)NCc1ccc2c[nH]nc2c1 ZINC000237184526 1122085508 /nfs/dbraw/zinc/08/55/08/1122085508.db2.gz KYTMAPVTDQXVEC-NSHDSACASA-N 0 1 299.349 3.561 20 0 CHADMN CC1=C(C)C[C@@H]([C@@H](C)NCc2nn(C)cc2Cl)CC1 ZINC001181871111 1122088482 /nfs/dbraw/zinc/08/84/82/1122088482.db2.gz SSJXJAZUJHPRRD-OLZOCXBDSA-N 0 1 281.831 3.688 20 0 CHADMN C[C@@H](N[C@H]1CCCn2nccc21)c1nccc2ccccc21 ZINC000631809606 1129030512 /nfs/dbraw/zinc/03/05/12/1129030512.db2.gz LJPJYFUDMWEASC-CJNGLKHVSA-N 0 1 292.386 3.617 20 0 CHADMN CC[C@H](C)C1CCC(NC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001182002104 1122102175 /nfs/dbraw/zinc/10/21/75/1122102175.db2.gz XVIOPDIFPDZZMY-OTBWCIGPSA-N 0 1 294.483 3.582 20 0 CHADMN CCCn1cc(CN[C@@H](CC(F)F)c2ccccc2)cn1 ZINC000421367319 1122102274 /nfs/dbraw/zinc/10/22/74/1122102274.db2.gz DQYPEKJTHBKRCR-HNNXBMFYSA-N 0 1 293.361 3.779 20 0 CHADMN CCn1cncc1CN(C(C)C)[C@@H](C)c1ccsc1 ZINC000421380708 1122105742 /nfs/dbraw/zinc/10/57/42/1122105742.db2.gz ZFUXKVGSFQHDHA-ZDUSSCGKSA-N 0 1 277.437 3.936 20 0 CHADMN C[C@H](Cc1ccsc1)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000689974683 1122106554 /nfs/dbraw/zinc/10/65/54/1122106554.db2.gz JPOVSDJCWJTBMF-TZMCWYRMSA-N 0 1 295.448 3.502 20 0 CHADMN COCC(C)(C)CN1CCc2c(Cl)cc(F)cc2C1 ZINC001182115630 1122110045 /nfs/dbraw/zinc/11/00/45/1122110045.db2.gz NQIDEPVGRBBEFY-UHFFFAOYSA-N 0 1 285.790 3.510 20 0 CHADMN COC(=O)c1cc(CN2CC3(CCC3)[C@H]2C(C)C)cs1 ZINC001182084820 1122110510 /nfs/dbraw/zinc/11/05/10/1122110510.db2.gz BVUMNQRODCGDDX-CQSZACIVSA-N 0 1 293.432 3.545 20 0 CHADMN CCC1(c2ccccc2)CN(Cc2ccoc2C)C1 ZINC001182261695 1122128962 /nfs/dbraw/zinc/12/89/62/1122128962.db2.gz LTOCBOYQZKIZLG-UHFFFAOYSA-N 0 1 255.361 3.752 20 0 CHADMN Cc1cccc(F)c1CN[C@@H]1CCCc2occc21 ZINC000774213700 1122137932 /nfs/dbraw/zinc/13/79/32/1122137932.db2.gz QZWINGQPIWDEEW-OAHLLOKOSA-N 0 1 259.324 3.894 20 0 CHADMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(C)nc1Cl ZINC000688552755 1129034561 /nfs/dbraw/zinc/03/45/61/1129034561.db2.gz VMWBGGBJVWKEQM-MFKMUULPSA-N 0 1 252.789 3.664 20 0 CHADMN C[C@H](N[C@H]1CC2(CCC2)Oc2ccccc21)c1ccnn1C ZINC000774228780 1122147146 /nfs/dbraw/zinc/14/71/46/1122147146.db2.gz WKPHIBLGNIDGNG-ZFWWWQNUSA-N 0 1 297.402 3.517 20 0 CHADMN Cc1ccccc1[C@@]1(F)CCN(CCOC(C)(C)C)C1 ZINC000502877041 1122151924 /nfs/dbraw/zinc/15/19/24/1122151924.db2.gz LHCBIPANANZJTL-QGZVFWFLSA-N 0 1 279.399 3.681 20 0 CHADMN Cc1cc([C@H](C)NCc2n[nH]c(-c3ccccc3)n2)c(C)o1 ZINC000774310411 1122154896 /nfs/dbraw/zinc/15/48/96/1122154896.db2.gz BRROZQSWMKAOLY-LBPRGKRZSA-N 0 1 296.374 3.532 20 0 CHADMN Cc1cc([C@H](C)NCc2nc(-c3ccccc3)n[nH]2)c(C)o1 ZINC000774310411 1122154899 /nfs/dbraw/zinc/15/48/99/1122154899.db2.gz BRROZQSWMKAOLY-LBPRGKRZSA-N 0 1 296.374 3.532 20 0 CHADMN C[C@@H](NC[C@@H](C)CC1CCCCC1)c1csnn1 ZINC000414555918 1122158218 /nfs/dbraw/zinc/15/82/18/1122158218.db2.gz XUWIIQCDMIAMTN-NWDGAFQWSA-N 0 1 267.442 3.795 20 0 CHADMN CC(C)(C)Oc1ccc(CNCc2ccco2)cc1 ZINC000620125233 1129035264 /nfs/dbraw/zinc/03/52/64/1129035264.db2.gz MJFDKZAIMXAORZ-UHFFFAOYSA-N 0 1 259.349 3.747 20 0 CHADMN C(CNCc1nnc(C2CC2)s1)CC1CCCCC1 ZINC000414560009 1122161269 /nfs/dbraw/zinc/16/12/69/1122161269.db2.gz VVGUGZAZHWJVFE-UHFFFAOYSA-N 0 1 279.453 3.866 20 0 CHADMN CC(C)(C)c1cnc(CN[C@@H]2C[C@H]2c2ccco2)s1 ZINC000414564801 1122164145 /nfs/dbraw/zinc/16/41/45/1122164145.db2.gz DDHFECAITKZKIZ-GHMZBOCLSA-N 0 1 276.405 3.679 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3c(c2)CCCC3)C[C@@H](CC)O1 ZINC001182462317 1122165542 /nfs/dbraw/zinc/16/55/42/1122165542.db2.gz OZWVRCBCYKPWRX-RTBURBONSA-N 0 1 287.447 3.955 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(Cl)cc2)nc1 ZINC000271714961 1122171820 /nfs/dbraw/zinc/17/18/20/1122171820.db2.gz BYWSHDGVTJOSRS-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN COC1(C)CCN([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000271783181 1122174961 /nfs/dbraw/zinc/17/49/61/1122174961.db2.gz SMTVKMNIHMGQLM-NSHDSACASA-N 0 1 269.335 3.527 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2ccc(C)cc2)nc1 ZINC000271844873 1122179363 /nfs/dbraw/zinc/17/93/63/1122179363.db2.gz UNCPSSQGLJMFKP-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN C[C@H](C[N@H+](C)Cc1cc(Cl)ccc1[O-])c1nccs1 ZINC000183256208 1129036764 /nfs/dbraw/zinc/03/67/64/1129036764.db2.gz YNSKETPZBYCUSB-SNVBAGLBSA-N 0 1 296.823 3.738 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1cc(Cl)ccc1[O-])c1nccs1 ZINC000183256208 1129036769 /nfs/dbraw/zinc/03/67/69/1129036769.db2.gz YNSKETPZBYCUSB-SNVBAGLBSA-N 0 1 296.823 3.738 20 0 CHADMN C[C@H](NCc1ccns1)c1ccc(Br)cc1 ZINC000404440001 1122186982 /nfs/dbraw/zinc/18/69/82/1122186982.db2.gz GPFOXRIPIHWJOL-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN CCC[C@H](CN1CCc2[nH]c3ccc(C)cc3c2C1)OC ZINC001182782326 1122189489 /nfs/dbraw/zinc/18/94/89/1122189489.db2.gz PLQAGYSEZYTHHZ-CQSZACIVSA-N 0 1 286.419 3.650 20 0 CHADMN COC(=O)c1ccc([C@H](C)N[C@H](c2ccccc2)C2CC2)o1 ZINC000272099914 1122190542 /nfs/dbraw/zinc/19/05/42/1122190542.db2.gz ZLEYORJOKXXDKV-YVEFUNNKSA-N 0 1 299.370 3.868 20 0 CHADMN Cc1cc(C)c(NC(=O)Cc2ccc3nc[nH]c3c2)cc1C ZINC001182845650 1122190478 /nfs/dbraw/zinc/19/04/78/1122190478.db2.gz VSBPDFPMWJTKIB-UHFFFAOYSA-N 0 1 293.370 3.669 20 0 CHADMN COCC[C@H](NCc1cccs1)c1ccc(C)o1 ZINC000272229172 1122194966 /nfs/dbraw/zinc/19/49/66/1122194966.db2.gz FOJLDACZDWQOSN-ZDUSSCGKSA-N 0 1 265.378 3.517 20 0 CHADMN COCC[C@@H](NCc1ccc(C)c(F)c1)c1ccc(C)o1 ZINC000272311346 1122197780 /nfs/dbraw/zinc/19/77/80/1122197780.db2.gz OXKSNSJYTZZQEM-MRXNPFEDSA-N 0 1 291.366 3.903 20 0 CHADMN Cc1cccc(CN2CC(C)(c3ccccc3)C2)c1F ZINC001183012618 1122199534 /nfs/dbraw/zinc/19/95/34/1122199534.db2.gz UKRFHRLKTUFLJL-UHFFFAOYSA-N 0 1 269.363 3.908 20 0 CHADMN Clc1csc(CN(CCC2CC2)CC2CC2)n1 ZINC001183037297 1122201076 /nfs/dbraw/zinc/20/10/76/1122201076.db2.gz WPAGRFOPFZELEL-UHFFFAOYSA-N 0 1 270.829 3.809 20 0 CHADMN COCC[C@@H](NCc1ccc2ncccc2c1)c1ccco1 ZINC000272562195 1122205630 /nfs/dbraw/zinc/20/56/30/1122205630.db2.gz NNMFSTBGVRXYGJ-QGZVFWFLSA-N 0 1 296.370 3.695 20 0 CHADMN COCC[C@H](NCc1ccc2ncccc2c1)c1ccco1 ZINC000272562194 1122205857 /nfs/dbraw/zinc/20/58/57/1122205857.db2.gz NNMFSTBGVRXYGJ-KRWDZBQOSA-N 0 1 296.370 3.695 20 0 CHADMN C[C@@H]1C[C@@H](CN[C@@H](CCc2ccccc2)C(F)F)CCO1 ZINC000272584372 1122206713 /nfs/dbraw/zinc/20/67/13/1122206713.db2.gz VPYPXNJNDGPDKX-KBMXLJTQSA-N 0 1 297.389 3.658 20 0 CHADMN COCC[C@H](N[C@H](C)c1ccc(OC)cc1)c1ccco1 ZINC000272616144 1122207613 /nfs/dbraw/zinc/20/76/13/1122207613.db2.gz XEDIBXSEUYIOSP-CJNGLKHVSA-N 0 1 289.375 3.717 20 0 CHADMN COCC[C@H](N[C@H](C)c1cccc(OC)c1)c1ccco1 ZINC000272617327 1122207893 /nfs/dbraw/zinc/20/78/93/1122207893.db2.gz XLTKWMKCDIUFQY-CJNGLKHVSA-N 0 1 289.375 3.717 20 0 CHADMN CC[C@H](C)[C@H](CNC1(c2c(F)cccc2F)CCC1)OC ZINC001183189826 1122209370 /nfs/dbraw/zinc/20/93/70/1122209370.db2.gz ZBALNICYYBTOHG-WFASDCNBSA-N 0 1 297.389 3.995 20 0 CHADMN CC(C)[C@H](C(=O)Nc1ccc2cc(F)ccc2c1)N(C)C ZINC001183363707 1122218659 /nfs/dbraw/zinc/21/86/59/1122218659.db2.gz VFNKYQYJHZLEHG-MRXNPFEDSA-N 0 1 288.366 3.504 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccccc1F)c1c(C)nn(C)c1C ZINC000153490601 1129039990 /nfs/dbraw/zinc/03/99/90/1129039990.db2.gz XLQBEQVQEYPAND-MEDUHNTESA-N 0 1 289.398 3.978 20 0 CHADMN C[C@@H]1CN(Cc2cnn(CC3CCC3)c2)Cc2ccccc21 ZINC001183674252 1122234501 /nfs/dbraw/zinc/23/45/01/1122234501.db2.gz VXWXNUSZDYAYES-OAHLLOKOSA-N 0 1 295.430 3.803 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2OC[C@H]1F)C1CCCC1 ZINC001183787769 1122238935 /nfs/dbraw/zinc/23/89/35/1122238935.db2.gz DLXZEMBMPSDZSO-SGIREYDYSA-N 0 1 263.356 3.627 20 0 CHADMN COCC[N@H+](Cc1cccc([O-])c1Cl)[C@H]1CC[C@H](C)C1 ZINC000353181469 1122260092 /nfs/dbraw/zinc/26/00/92/1122260092.db2.gz MEEYTGZXXMBTCM-JSGCOSHPSA-N 0 1 297.826 3.683 20 0 CHADMN COCC[N@@H+](Cc1cccc([O-])c1Cl)[C@H]1CC[C@H](C)C1 ZINC000353181469 1122260098 /nfs/dbraw/zinc/26/00/98/1122260098.db2.gz MEEYTGZXXMBTCM-JSGCOSHPSA-N 0 1 297.826 3.683 20 0 CHADMN CC(C)C[C@@H](C)CNCc1nc(C(C)(C)C)co1 ZINC001184251050 1122264373 /nfs/dbraw/zinc/26/43/73/1122264373.db2.gz JEIIPGWQDXDDGJ-GFCCVEGCSA-N 0 1 252.402 3.744 20 0 CHADMN Cc1ccc(CN2CCC(C)(C)CC2)c(Cl)n1 ZINC000711193393 1122269497 /nfs/dbraw/zinc/26/94/97/1122269497.db2.gz VAKKEENZFRWXFG-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN Cc1nccc(NCCC2CC(OC(C)(C)C)C2)c1Cl ZINC000503596665 1122269864 /nfs/dbraw/zinc/26/98/64/1122269864.db2.gz BUFDIZJXFRBWNZ-UHFFFAOYSA-N 0 1 296.842 3.861 20 0 CHADMN Cc1nccc(N2CCO[C@@H](C3CCCCC3)C2)c1Cl ZINC000503602025 1122271444 /nfs/dbraw/zinc/27/14/44/1122271444.db2.gz JTUZYPSPDUHYDL-OAHLLOKOSA-N 0 1 294.826 3.829 20 0 CHADMN Oc1c(F)cc(F)c(Cc2cccc(F)c2F)c1F ZINC001250150834 1122274132 /nfs/dbraw/zinc/27/41/32/1122274132.db2.gz CRXBBTUYAOFLPF-UHFFFAOYSA-N 0 1 274.188 3.679 20 0 CHADMN Cc1[nH]nc2ccc(Cc3cccc(F)c3F)cc12 ZINC001250152495 1122281657 /nfs/dbraw/zinc/28/16/57/1122281657.db2.gz SHEBILXRAGLKGA-UHFFFAOYSA-N 0 1 258.271 3.740 20 0 CHADMN Fc1cccc(C2(NCc3cccc4c3NCCC4)CC2)c1 ZINC000894280517 1122285216 /nfs/dbraw/zinc/28/52/16/1122285216.db2.gz LDYOUHIAKGXREY-UHFFFAOYSA-N 0 1 296.389 3.963 20 0 CHADMN COc1cc(CN[C@@H](C)c2cccc(C)c2C)sn1 ZINC000660198170 1129044216 /nfs/dbraw/zinc/04/42/16/1129044216.db2.gz WSPRKRWATHVUKW-LBPRGKRZSA-N 0 1 276.405 3.619 20 0 CHADMN CCCN(C)Cc1ccc(Cl)cc1Br ZINC000504107629 1122287384 /nfs/dbraw/zinc/28/73/84/1122287384.db2.gz JJFZORGLEIKQTJ-UHFFFAOYSA-N 0 1 276.605 3.944 20 0 CHADMN CCCC1CCN(Cc2cc(C(=O)OC)cs2)CC1 ZINC000711406990 1122289528 /nfs/dbraw/zinc/28/95/28/1122289528.db2.gz YGWBKNAISCLTTL-UHFFFAOYSA-N 0 1 281.421 3.547 20 0 CHADMN CC(C)C(N)=NOCCOc1c(Cl)cccc1Cl ZINC000774778317 1122295957 /nfs/dbraw/zinc/29/59/57/1122295957.db2.gz WKSVUIQYYCZWLA-UHFFFAOYSA-N 0 1 291.178 3.527 20 0 CHADMN O=S(=O)(Nc1cccc2sccc21)c1ccsc1 ZINC001185392228 1122336148 /nfs/dbraw/zinc/33/61/48/1122336148.db2.gz YIHABGFQLDKEAI-UHFFFAOYSA-N 0 1 295.410 3.764 20 0 CHADMN Cc1ccc(CNC(=O)Nc2cccc(Cl)c2O)cc1 ZINC001185400948 1122337557 /nfs/dbraw/zinc/33/75/57/1122337557.db2.gz GCEWFXYZPVLWRN-UHFFFAOYSA-N 0 1 290.750 3.676 20 0 CHADMN C[C@@H](NC[C@@H]1CC1(Cl)Cl)c1c(F)cccc1F ZINC000774870219 1122338019 /nfs/dbraw/zinc/33/80/19/1122338019.db2.gz XSBXASYWPGCZBU-SFYZADRCSA-N 0 1 280.145 3.809 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000620279259 1129048114 /nfs/dbraw/zinc/04/81/14/1129048114.db2.gz UZGTYFRXTXQRMG-ZDUSSCGKSA-N 0 1 281.783 3.689 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)C(C)C)n[nH]2)cc1 ZINC000027184720 1122370279 /nfs/dbraw/zinc/37/02/79/1122370279.db2.gz XAEMXIXUTHHOPY-CYBMUJFWSA-N 0 1 285.391 3.502 20 0 CHADMN C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](C)CC1 ZINC000514099924 1122379318 /nfs/dbraw/zinc/37/93/18/1122379318.db2.gz OSQUGVXPAZSJAU-KGLIPLIRSA-N 0 1 285.391 3.920 20 0 CHADMN Cc1ccc(SCCN2CCO[C@@H]3CCC[C@@H]32)cc1C ZINC000514209769 1122386297 /nfs/dbraw/zinc/38/62/97/1122386297.db2.gz XRHMSHXTFAALRA-DLBZAZTESA-N 0 1 291.460 3.649 20 0 CHADMN CC1(C)CCN(Cc2nc3cc(F)ccc3o2)CCS1 ZINC000434672566 1122392397 /nfs/dbraw/zinc/39/23/97/1122392397.db2.gz ZDXQTEQKCSYACQ-UHFFFAOYSA-N 0 1 294.395 3.684 20 0 CHADMN CC1(C)CCN(Cc2cc(F)cc(F)c2)CCS1 ZINC000434708138 1122395554 /nfs/dbraw/zinc/39/55/54/1122395554.db2.gz UUJQYSYLYBROBU-UHFFFAOYSA-N 0 1 271.376 3.682 20 0 CHADMN CC(C)[C@@H]1N(Cc2nc3ccccc3n2C)CC12CCC2 ZINC000430088549 1122397871 /nfs/dbraw/zinc/39/78/71/1122397871.db2.gz KIWCNDNMBKBNAN-KRWDZBQOSA-N 0 1 283.419 3.584 20 0 CHADMN CC(C)[C@@H]1N(Cc2cnn(C(C)(C)C)c2)CC12CCC2 ZINC000430097809 1122403376 /nfs/dbraw/zinc/40/33/76/1122403376.db2.gz HWDHSRCMYCSFNK-HNNXBMFYSA-N 0 1 275.440 3.649 20 0 CHADMN Cc1ccn2c(CN(C)Cc3cccc(C)c3C)cnc2c1 ZINC000430112276 1122406782 /nfs/dbraw/zinc/40/67/82/1122406782.db2.gz WZWBXZXGQTXMPV-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN Cc1nc(CN2CC[C@](C)(c3ccc(C)cc3)C2)cs1 ZINC000434744683 1122408359 /nfs/dbraw/zinc/40/83/59/1122408359.db2.gz IOHKJWHPQQZOQH-KRWDZBQOSA-N 0 1 286.444 3.924 20 0 CHADMN C[C@@H](Nc1ccc(Cl)c(CN(C)C)c1)c1ccccn1 ZINC000281806044 1122415679 /nfs/dbraw/zinc/41/56/79/1122415679.db2.gz YQIVWWBHRDPEOV-GFCCVEGCSA-N 0 1 289.810 3.970 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1coc2ccccc21 ZINC001203147606 1122417234 /nfs/dbraw/zinc/41/72/34/1122417234.db2.gz VGXSMDWJMZOPHQ-UHFFFAOYSA-N 0 1 263.300 3.662 20 0 CHADMN COCCOc1ccc(CN2CC[C@H]2c2ccccc2)cc1 ZINC000434987360 1122426776 /nfs/dbraw/zinc/42/67/76/1122426776.db2.gz TYSCDXBUCHTTEE-IBGZPJMESA-N 0 1 297.398 3.659 20 0 CHADMN Cc1ccccc1O[C@@H]1CCCN(Cc2ccco2)C1 ZINC001203278381 1122427142 /nfs/dbraw/zinc/42/71/42/1122427142.db2.gz MGPCFZAWQCXGSU-MRXNPFEDSA-N 0 1 271.360 3.631 20 0 CHADMN CCc1cc(OC)ccc1CN(C)Cc1occc1C ZINC000430131818 1122439856 /nfs/dbraw/zinc/43/98/56/1122439856.db2.gz YXMJZIQJMWECSB-UHFFFAOYSA-N 0 1 273.376 3.791 20 0 CHADMN C[C@H]1CCCCN1CC(=O)Nc1ccccc1C(C)(C)C ZINC000510021595 1122440591 /nfs/dbraw/zinc/44/05/91/1122440591.db2.gz UGCUULXXIQBSOZ-AWEZNQCLSA-N 0 1 288.435 3.797 20 0 CHADMN Cc1ccccc1-c1cc(C(=O)Nc2ccccc2)[nH]n1 ZINC001187964221 1122447141 /nfs/dbraw/zinc/44/71/41/1122447141.db2.gz RKLZWIPNWYGGFS-UHFFFAOYSA-N 0 1 277.327 3.637 20 0 CHADMN Cc1noc([C@H](C)N2CC[C@H](c3ccc(C)cc3C)C2)n1 ZINC000684210686 1129055310 /nfs/dbraw/zinc/05/53/10/1129055310.db2.gz AIXUWPZMEQLQKE-ZFWWWQNUSA-N 0 1 285.391 3.545 20 0 CHADMN CCCCN1C(=O)N=NC1SC1C[C@@H](C)C[C@H](C)C1 ZINC001188155800 1122459233 /nfs/dbraw/zinc/45/92/33/1122459233.db2.gz VBJZRTYIGZEERC-QWRGUYRKSA-N 0 1 283.441 3.701 20 0 CHADMN Cc1cc(C)c(NC(=O)c2ncc(C(F)(F)F)[n-]2)cc1C ZINC001188289644 1122460075 /nfs/dbraw/zinc/46/00/75/1122460075.db2.gz ZWAFNAUEJMUCGF-UHFFFAOYSA-N 0 1 297.280 3.606 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@@H](C)c1cc(OC)ncc1F ZINC000514867625 1122460457 /nfs/dbraw/zinc/46/04/57/1122460457.db2.gz MBHAVLZSWMFIQY-DTWKUNHWSA-N 0 1 294.292 3.611 20 0 CHADMN CCCC(=O)Nc1ccc(-c2csc([C@H](C)N)n2)cc1 ZINC000435415424 1122463421 /nfs/dbraw/zinc/46/34/21/1122463421.db2.gz BOBFWADTOXSELX-JTQLQIEISA-N 0 1 289.404 3.568 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccccn2)cc(C)c1O ZINC000283717046 1122465832 /nfs/dbraw/zinc/46/58/32/1122465832.db2.gz ATRFMEUGVZUSEE-CQSZACIVSA-N 0 1 270.376 3.597 20 0 CHADMN Cc1cc2ccccc2cc1NS(=O)(=O)c1ccoc1 ZINC001188614103 1122468153 /nfs/dbraw/zinc/46/81/53/1122468153.db2.gz HNNWGTQGRDWUIQ-UHFFFAOYSA-N 0 1 287.340 3.542 20 0 CHADMN CCCC(CCC)SCCN1C[C@H](C)O[C@@H](C)C1 ZINC001188683544 1122473429 /nfs/dbraw/zinc/47/34/29/1122473429.db2.gz HOJGMCVGVOLAEW-KBPBESRZSA-N 0 1 273.486 3.798 20 0 CHADMN FC(F)(F)c1ccccc1CN1CC[C@@H]2CCCO[C@@H]2C1 ZINC001203687216 1122473536 /nfs/dbraw/zinc/47/35/36/1122473536.db2.gz KWLIBZVOPPIXQB-SWLSCSKDSA-N 0 1 299.336 3.706 20 0 CHADMN CCC[C@]1(COC)CCC[N@H+]1Cc1cnc(Cl)c(C)c1 ZINC000775202338 1122478811 /nfs/dbraw/zinc/47/88/11/1122478811.db2.gz HGEQPPFROKFYJY-MRXNPFEDSA-N 0 1 296.842 3.825 20 0 CHADMN FCCCCCN1CCc2ccc(Cl)cc2C1 ZINC000515168752 1122480069 /nfs/dbraw/zinc/48/00/69/1122480069.db2.gz ZUJHTRZNEHBKSO-UHFFFAOYSA-N 0 1 255.764 3.838 20 0 CHADMN COc1ccccc1/C=C\CN1CCC[C@H]1c1ccc[nH]1 ZINC000435772187 1122488641 /nfs/dbraw/zinc/48/86/41/1122488641.db2.gz ZNTLKMQLBULIHJ-AFCDSYGPSA-N 0 1 282.387 3.874 20 0 CHADMN Cc1ccccc1[C@@H](C(C)C)[N@H+](C)Cc1ncccc1[O-] ZINC000515332075 1122493475 /nfs/dbraw/zinc/49/34/75/1122493475.db2.gz OVCZLRMLDQMCJF-GOSISDBHSA-N 0 1 284.403 3.925 20 0 CHADMN Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)Cc1ncccc1[O-] ZINC000515332075 1122493478 /nfs/dbraw/zinc/49/34/78/1122493478.db2.gz OVCZLRMLDQMCJF-GOSISDBHSA-N 0 1 284.403 3.925 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1ccc2occc2c1 ZINC001151764345 1122501234 /nfs/dbraw/zinc/50/12/34/1122501234.db2.gz LMWGZBOYFQROGB-UHFFFAOYSA-N 0 1 288.391 3.883 20 0 CHADMN Cc1csc(NC(=O)c2cn[nH]c2-c2ccccc2)c1 ZINC001189685908 1122509244 /nfs/dbraw/zinc/50/92/44/1122509244.db2.gz XVRVGAPGKPSTQP-UHFFFAOYSA-N 0 1 283.356 3.699 20 0 CHADMN CC(C)(C)SCCCOC(=O)c1cccc2[nH]ncc21 ZINC000775298386 1122511772 /nfs/dbraw/zinc/51/17/72/1122511772.db2.gz SARPZYFWJYLCRT-UHFFFAOYSA-N 0 1 292.404 3.642 20 0 CHADMN CC(C)C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000515585161 1122513608 /nfs/dbraw/zinc/51/36/08/1122513608.db2.gz CJZCHUSQDHVQIP-UHFFFAOYSA-N 0 1 297.333 3.964 20 0 CHADMN COc1ccc(C)cc1CNCc1ccc(C(C)(C)O)cc1 ZINC000775331694 1122518847 /nfs/dbraw/zinc/51/88/47/1122518847.db2.gz WGGALMLZBSTVLE-UHFFFAOYSA-N 0 1 299.414 3.521 20 0 CHADMN C[C@H](c1ccccc1F)N(C)C[C@@H]1CCC2(CCC2)O1 ZINC001190393262 1122534525 /nfs/dbraw/zinc/53/45/25/1122534525.db2.gz ZMDQHXWBCVIBSR-KGLIPLIRSA-N 0 1 277.383 3.920 20 0 CHADMN C[C@H](NCCF)c1ccccc1OCc1ccccc1 ZINC000436315397 1122537441 /nfs/dbraw/zinc/53/74/41/1122537441.db2.gz PFLXQMHWKMLBGV-AWEZNQCLSA-N 0 1 273.351 3.886 20 0 CHADMN CCN(Cc1ccccc1F)C[C@H]1CC[C@H](C2CC2)O1 ZINC001190627568 1122548875 /nfs/dbraw/zinc/54/88/75/1122548875.db2.gz ISONTWWCAQJVBE-NVXWUHKLSA-N 0 1 277.383 3.605 20 0 CHADMN CC1CC([N@H+](C)Cc2cc([O-])c(Cl)c(F)c2F)C1 ZINC001250387958 1122549078 /nfs/dbraw/zinc/54/90/78/1122549078.db2.gz RFVOVRKOROTZMO-UHFFFAOYSA-N 0 1 275.726 3.554 20 0 CHADMN CC1CC([N@@H+](C)Cc2cc([O-])c(Cl)c(F)c2F)C1 ZINC001250387958 1122549080 /nfs/dbraw/zinc/54/90/80/1122549080.db2.gz RFVOVRKOROTZMO-UHFFFAOYSA-N 0 1 275.726 3.554 20 0 CHADMN CCCCC[C@@H]1CCCCN1C(=O)c1cc(CC)[nH]n1 ZINC000620562604 1129061964 /nfs/dbraw/zinc/06/19/64/1129061964.db2.gz BRHJPRIZHRDDMF-CQSZACIVSA-N 0 1 277.412 3.547 20 0 CHADMN CC1(C(=O)Nc2cc(Cl)c(O)cc2F)CCCC1 ZINC000286624073 1122551809 /nfs/dbraw/zinc/55/18/09/1122551809.db2.gz DACLANUJCIYOSO-UHFFFAOYSA-N 0 1 271.719 3.704 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCC(c2ccon2)CC1 ZINC000664564251 1122556852 /nfs/dbraw/zinc/55/68/52/1122556852.db2.gz DHDWMANDLVAELX-UHFFFAOYSA-N 0 1 297.333 3.746 20 0 CHADMN CCC1CCN(Cc2c(F)ccc(C)c2F)CC1 ZINC001190872946 1122559527 /nfs/dbraw/zinc/55/95/27/1122559527.db2.gz QFSFMBNECSYGPO-UHFFFAOYSA-N 0 1 253.336 3.895 20 0 CHADMN Cl/C=C(\Cl)CN[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000775422764 1122560534 /nfs/dbraw/zinc/56/05/34/1122560534.db2.gz ZCBYQIWIGRKOLU-LRZCHELBSA-N 0 1 286.202 3.673 20 0 CHADMN COc1c(F)cc(F)cc1CN1CCC[C@H]2CCC[C@H]21 ZINC001143561568 1122561853 /nfs/dbraw/zinc/56/18/53/1122561853.db2.gz URCQLAIOAMZOTP-IAQYHMDHSA-N 0 1 281.346 3.738 20 0 CHADMN CCn1nc(C)c(CNCc2ccc(C)c(Cl)c2)c1C ZINC000516143395 1122572880 /nfs/dbraw/zinc/57/28/80/1122572880.db2.gz ZMYYPYGKTRVWFZ-UHFFFAOYSA-N 0 1 291.826 3.771 20 0 CHADMN COc1ccc([C@H](C)[N@@H+](C)Cc2ccccc2C(=O)[O-])cc1 ZINC000516187329 1122577279 /nfs/dbraw/zinc/57/72/79/1122577279.db2.gz AIJBASIPSAGGDQ-ZDUSSCGKSA-N 0 1 299.370 3.586 20 0 CHADMN CCSc1ccccc1-c1nc(C2(N)CCCC2)no1 ZINC000516289629 1122586446 /nfs/dbraw/zinc/58/64/46/1122586446.db2.gz DIFWCFYIOTUSFB-UHFFFAOYSA-N 0 1 289.404 3.577 20 0 CHADMN Fc1ccccc1C1(NC[C@H]2CC2(Cl)Cl)CC1 ZINC000775452013 1122593408 /nfs/dbraw/zinc/59/34/08/1122593408.db2.gz PJGUBIZAZCNNMN-SECBINFHSA-N 0 1 274.166 3.598 20 0 CHADMN CC(C)CC1(C)CCN(C(=O)c2c(O)cccc2F)CC1 ZINC000436920594 1122594851 /nfs/dbraw/zinc/59/48/51/1122594851.db2.gz HMMKSYZEJWADNK-UHFFFAOYSA-N 0 1 293.382 3.820 20 0 CHADMN COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccncc1C ZINC000516391608 1122595832 /nfs/dbraw/zinc/59/58/32/1122595832.db2.gz VUICFRFINIZVAX-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN O=C(c1c(O)cccc1F)N(CC1CC1)C1CCCCC1 ZINC000436979724 1122600399 /nfs/dbraw/zinc/60/03/99/1122600399.db2.gz MMLLWOCOOOFQEJ-UHFFFAOYSA-N 0 1 291.366 3.716 20 0 CHADMN CN(Cc1cn(-c2ccccc2)nn1)C1CCC(C)(C)CC1 ZINC001191550431 1122606005 /nfs/dbraw/zinc/60/60/05/1122606005.db2.gz LHOUGEFFRLNKHO-UHFFFAOYSA-N 0 1 298.434 3.668 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H](C)c1ccc2c(c1)COC2 ZINC000437102062 1122614246 /nfs/dbraw/zinc/61/42/46/1122614246.db2.gz VQFIECQJJMLLNN-OLZOCXBDSA-N 0 1 298.386 3.532 20 0 CHADMN COc1ccccc1CNCc1ccccc1COC(C)C ZINC000078357813 1122623191 /nfs/dbraw/zinc/62/31/91/1122623191.db2.gz XRYOAXMTWDCYDG-UHFFFAOYSA-N 0 1 299.414 3.910 20 0 CHADMN COc1ccc2c(c1F)CC[C@@H]2N[C@H](C)c1ccccn1 ZINC000289299059 1122626249 /nfs/dbraw/zinc/62/62/49/1122626249.db2.gz RWURFLBECFRHJB-ABAIWWIYSA-N 0 1 286.350 3.567 20 0 CHADMN CC1=CCCN(Cc2c(F)cccc2N2CCCC2)C1 ZINC000437344870 1122629221 /nfs/dbraw/zinc/62/92/21/1122629221.db2.gz HIQNTDQQYGENDZ-UHFFFAOYSA-N 0 1 274.383 3.578 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN(C)[C@H](C)C1(C)CC1 ZINC000437509203 1122637939 /nfs/dbraw/zinc/63/79/39/1122637939.db2.gz SXHUONJOTCZABL-CYBMUJFWSA-N 0 1 284.403 3.779 20 0 CHADMN Cc1nc(CN(C)C[C@@H](C)c2ccc(F)cc2)cs1 ZINC000437579942 1122642130 /nfs/dbraw/zinc/64/21/30/1122642130.db2.gz JDJQSDPJJYFODG-LLVKDONJSA-N 0 1 278.396 3.826 20 0 CHADMN C=Cc1ccc(NC(=O)c2ccc(O)c(F)c2F)cc1 ZINC001192839501 1122659853 /nfs/dbraw/zinc/65/98/53/1122659853.db2.gz IXKJDQLLYNFQJJ-UHFFFAOYSA-N 0 1 275.254 3.566 20 0 CHADMN CC[C@H](NCc1cccc(F)n1)c1ccc(C)c(F)c1 ZINC001192880868 1122662865 /nfs/dbraw/zinc/66/28/65/1122662865.db2.gz KHOWUXVPOVKCFJ-HNNXBMFYSA-N 0 1 276.330 3.909 20 0 CHADMN CSC[C@H]1CCCN1Cc1ccc(Cl)cc1F ZINC000438090159 1122674931 /nfs/dbraw/zinc/67/49/31/1122674931.db2.gz ARQUOVUQAZMBGX-GFCCVEGCSA-N 0 1 273.804 3.807 20 0 CHADMN CC[C@@H]1CN(Cc2cc3c(cccc3F)[nH]2)CCS1 ZINC000438105124 1122677985 /nfs/dbraw/zinc/67/79/85/1122677985.db2.gz ZHXXOQCVRZMXQJ-GFCCVEGCSA-N 0 1 278.396 3.634 20 0 CHADMN C[C@@H](CN1CCO[C@@H](c2ccco2)C1)c1ccc(F)cc1 ZINC000438104166 1122678291 /nfs/dbraw/zinc/67/82/91/1122678291.db2.gz JXPGVRDLSOOSBZ-SUMWQHHRSA-N 0 1 289.350 3.596 20 0 CHADMN FC(F)C1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000438112467 1122679074 /nfs/dbraw/zinc/67/90/74/1122679074.db2.gz ARYBQEXYKUPDRV-UHFFFAOYSA-N 0 1 297.374 3.615 20 0 CHADMN COC(=O)[C@H](NC[C@H]1CCCC[C@H]1C)C1CCCCC1 ZINC001193167103 1122679954 /nfs/dbraw/zinc/67/99/54/1122679954.db2.gz WBPZVTWUBUJEAJ-FVQBIDKESA-N 0 1 281.440 3.524 20 0 CHADMN COC(=O)[C@H](NC[C@@H]1CCCC[C@H]1C)C1CCCCC1 ZINC001193167108 1122679783 /nfs/dbraw/zinc/67/97/83/1122679783.db2.gz WBPZVTWUBUJEAJ-VNQPRFMTSA-N 0 1 281.440 3.524 20 0 CHADMN Cc1ccsc1[C@H](CO)NCc1ccc(Cl)cc1F ZINC000438173028 1122683552 /nfs/dbraw/zinc/68/35/52/1122683552.db2.gz CYXMRJRJLLIAGZ-ZDUSSCGKSA-N 0 1 299.798 3.672 20 0 CHADMN CCN(Cc1c(F)cncc1F)[C@@H]1CCCC[C@@H]1C ZINC001193412603 1122690151 /nfs/dbraw/zinc/69/01/51/1122690151.db2.gz FTEKBHIGTBANHS-XHDPSFHLSA-N 0 1 268.351 3.760 20 0 CHADMN CCOC(=O)[C@@H](CC)N(CCC(C)(C)CC)C1CC1 ZINC001193564621 1122697960 /nfs/dbraw/zinc/69/79/60/1122697960.db2.gz TZQJTADTQQHJFY-CQSZACIVSA-N 0 1 269.429 3.619 20 0 CHADMN CCOC(=O)[C@H](CC)N(CCCC(C)(C)C)C1CC1 ZINC001193565464 1122698013 /nfs/dbraw/zinc/69/80/13/1122698013.db2.gz XZLSSTAMDULQDG-AWEZNQCLSA-N 0 1 269.429 3.619 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)OC1CCCCC1 ZINC001193629432 1122702468 /nfs/dbraw/zinc/70/24/68/1122702468.db2.gz NMUUCIPSFKDBIS-UHFFFAOYSA-N 0 1 269.728 3.927 20 0 CHADMN O=C(Nc1c(O)cc(F)cc1F)OC1CCCCC1 ZINC001193629039 1122702532 /nfs/dbraw/zinc/70/25/32/1122702532.db2.gz ABRSBKDELBGTGQ-UHFFFAOYSA-N 0 1 271.263 3.552 20 0 CHADMN COCC(C)(C)CN(Cc1ccc(F)cc1F)C1CC1 ZINC000426030290 1122703201 /nfs/dbraw/zinc/70/32/01/1122703201.db2.gz SQJVXEDWMGTEJX-UHFFFAOYSA-N 0 1 283.362 3.602 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2)CCO1 ZINC000506262057 1122707018 /nfs/dbraw/zinc/70/70/18/1122707018.db2.gz MFHGVWBPRWMDOM-OAHLLOKOSA-N 0 1 267.372 3.574 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3ccccc3)c2)CCO1 ZINC000506262057 1122707024 /nfs/dbraw/zinc/70/70/24/1122707024.db2.gz MFHGVWBPRWMDOM-OAHLLOKOSA-N 0 1 267.372 3.574 20 0 CHADMN COC(=O)[C@@H]1C[C@H](C)CCN1CC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001193685971 1122709520 /nfs/dbraw/zinc/70/95/20/1122709520.db2.gz IIPGFYCBDZMOKW-NRKLIOEPSA-N 0 1 295.467 3.722 20 0 CHADMN C[C@H](N[C@H]1CCCC[C@@H](c2ccccc2)C1)c1ncn(C)n1 ZINC000438552771 1122710524 /nfs/dbraw/zinc/71/05/24/1122710524.db2.gz JCQFXCLKEYRRAO-UAGQMJEPSA-N 0 1 298.434 3.582 20 0 CHADMN CCCc1csc(CN([C@@H](C)C2CC2)C2CC2)n1 ZINC000426074061 1122713413 /nfs/dbraw/zinc/71/34/13/1122713413.db2.gz SJRMZWOURIYHTM-NSHDSACASA-N 0 1 264.438 3.859 20 0 CHADMN Cc1nc2ccccn2c1CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000506293809 1122714088 /nfs/dbraw/zinc/71/40/88/1122714088.db2.gz HHWFPUZADMCXIW-AWEZNQCLSA-N 0 1 297.377 3.975 20 0 CHADMN COc1ccc2c(c1)OCCN([C@H](C)c1cccc(C)c1)C2 ZINC001193785571 1122716254 /nfs/dbraw/zinc/71/62/54/1122716254.db2.gz SDANQBXQJMQVOD-OAHLLOKOSA-N 0 1 297.398 3.959 20 0 CHADMN Cc1ccc2ncc(CN(Cc3ccccc3)C3CC3)n2c1 ZINC000506371904 1122725734 /nfs/dbraw/zinc/72/57/34/1122725734.db2.gz XQNYWLOKDCAUAD-UHFFFAOYSA-N 0 1 291.398 3.807 20 0 CHADMN CN(Cc1ccccc1OC1CCCC1)C[C@H]1CCCO1 ZINC000506432763 1122738495 /nfs/dbraw/zinc/73/84/95/1122738495.db2.gz MEZPTIKMXHOLIO-QGZVFWFLSA-N 0 1 289.419 3.619 20 0 CHADMN CCOc1cc(F)c(CN2CCCC2(C)C)c(F)c1 ZINC001143564774 1122738510 /nfs/dbraw/zinc/73/85/10/1122738510.db2.gz LAYYGEXJUHYBIO-UHFFFAOYSA-N 0 1 269.335 3.738 20 0 CHADMN Fc1cc(F)cc(CNc2nccn2-c2ccccc2)c1 ZINC000438934140 1122741390 /nfs/dbraw/zinc/74/13/90/1122741390.db2.gz VAZZABJBBBHODC-UHFFFAOYSA-N 0 1 285.297 3.763 20 0 CHADMN Cc1ccc(-n2cnc3c2CCN(CC2CC=CC2)C3)cc1 ZINC001194000340 1122742562 /nfs/dbraw/zinc/74/25/62/1122742562.db2.gz WYPVYVVYTJCWGK-UHFFFAOYSA-N 0 1 293.414 3.505 20 0 CHADMN O=C(Nc1cc(F)c(O)c(F)c1)Oc1ccc(Cl)cc1 ZINC001194056291 1122744036 /nfs/dbraw/zinc/74/40/36/1122744036.db2.gz XHIWFHSYLVLTMK-UHFFFAOYSA-N 0 1 299.660 3.935 20 0 CHADMN CCC[C@@](C)(O)CN[C@H](c1cccc(C)c1)c1ccccn1 ZINC000925044467 1122744826 /nfs/dbraw/zinc/74/48/26/1122744826.db2.gz GTNZPYSDJCQMAR-RTBURBONSA-N 0 1 298.430 3.620 20 0 CHADMN C[C@H]1CC(CCN2CCOC[C@H]2CC(F)F)C[C@H](C)C1 ZINC001194115973 1122746742 /nfs/dbraw/zinc/74/67/42/1122746742.db2.gz IYANEBPRXXGRPX-UMVBOHGHSA-N 0 1 289.410 3.805 20 0 CHADMN CCC[C@](C)(O)CN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000925046526 1122752960 /nfs/dbraw/zinc/75/29/60/1122752960.db2.gz RFKRBKXSXIYDPG-MOPGFXCFSA-N 0 1 298.430 3.620 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cc(F)ncc1F)CCC2 ZINC000295962899 1122760622 /nfs/dbraw/zinc/76/06/22/1122760622.db2.gz HYSCWORLBLTJDT-MRXNPFEDSA-N 0 1 288.341 3.835 20 0 CHADMN CC[C@]1(CO)CCCN1Cc1c(Cl)cccc1Cl ZINC000439272858 1122767576 /nfs/dbraw/zinc/76/75/76/1122767576.db2.gz LMRAQLAQUDJPCH-CQSZACIVSA-N 0 1 288.218 3.730 20 0 CHADMN COc1ccc(Cl)c(CN(C)[C@H](CO)CC(C)(C)C)c1 ZINC001194386545 1122771030 /nfs/dbraw/zinc/77/10/30/1122771030.db2.gz YWWKKGJSPMXWIZ-ZDUSSCGKSA-N 0 1 299.842 3.578 20 0 CHADMN S=c1ncccn1CN1CCC[C@@H]1CCc1ccccc1 ZINC000193425611 1129076811 /nfs/dbraw/zinc/07/68/11/1129076811.db2.gz DJXLQDUNHZILKT-MRXNPFEDSA-N 0 1 299.443 3.667 20 0 CHADMN Cc1ccc(OC(=O)Nc2cc(F)c(O)c(F)c2)cc1 ZINC001194457745 1122775348 /nfs/dbraw/zinc/77/53/48/1122775348.db2.gz CPVITAXILBXFSS-UHFFFAOYSA-N 0 1 279.242 3.590 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1C[C@H](C)c2ccccc21 ZINC000289102601 1129077533 /nfs/dbraw/zinc/07/75/33/1129077533.db2.gz CGGMZFGGIAVPHX-MGPLVRAMSA-N 0 1 256.349 3.630 20 0 CHADMN C[C@@]1(F)CCCN(CCOC2CCCCCC2)C1 ZINC001194598504 1122785458 /nfs/dbraw/zinc/78/54/58/1122785458.db2.gz BKCZLPMAJCFGOG-OAHLLOKOSA-N 0 1 257.393 3.550 20 0 CHADMN Cc1ccccc1C[N@@H+](Cc1cnc2ccccn12)C1CC1 ZINC000506600826 1122787866 /nfs/dbraw/zinc/78/78/66/1122787866.db2.gz HPHLEKDHGMXQAL-UHFFFAOYSA-N 0 1 291.398 3.807 20 0 CHADMN Cc1ccccc1CN(Cc1cnc2ccccn12)C1CC1 ZINC000506600826 1122787868 /nfs/dbraw/zinc/78/78/68/1122787868.db2.gz HPHLEKDHGMXQAL-UHFFFAOYSA-N 0 1 291.398 3.807 20 0 CHADMN c1cc(-c2ccc(NCc3ccc4nc[nH]c4c3)cc2)no1 ZINC001203799207 1122789034 /nfs/dbraw/zinc/78/90/34/1122789034.db2.gz BTFNVVPXBFETGK-UHFFFAOYSA-N 0 1 290.326 3.830 20 0 CHADMN CC(=O)CN1CCCCC[C@H]1Cc1ccccc1Cl ZINC001194703966 1122790470 /nfs/dbraw/zinc/79/04/70/1122790470.db2.gz USHAGCHESOYOCD-HNNXBMFYSA-N 0 1 279.811 3.716 20 0 CHADMN CN(Cc1cscn1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297410632 1122793836 /nfs/dbraw/zinc/79/38/36/1122793836.db2.gz CVTRXZDAPUKRSN-JKSUJKDBSA-N 0 1 272.417 3.911 20 0 CHADMN CCCn1c(C)cc(C(=O)CN2CC[C@@H]3CCC[C@@H]32)c1C ZINC000426462934 1122799065 /nfs/dbraw/zinc/79/90/65/1122799065.db2.gz UVLQCQPQZONEFR-RDJZCZTQSA-N 0 1 288.435 3.572 20 0 CHADMN CC(C)C(C)(C)C(=O)Nc1cccc(Cl)c1O ZINC000439717575 1122800779 /nfs/dbraw/zinc/80/07/79/1122800779.db2.gz KEHUFTDBYCGMOL-UHFFFAOYSA-N 0 1 255.745 3.666 20 0 CHADMN Cc1csc(CN[C@@H]2C[C@H](C)c3ccccc32)n1 ZINC000265316749 1129080118 /nfs/dbraw/zinc/08/01/18/1129080118.db2.gz JUNWKXRZOFOCPX-IINYFYTJSA-N 0 1 258.390 3.790 20 0 CHADMN c1coc(-c2nc(CN3CC[C@@H]4CCC[C@@H]43)cs2)c1 ZINC000426491951 1122804177 /nfs/dbraw/zinc/80/41/77/1122804177.db2.gz LRNBTKBZFPZDBR-AAEUAGOBSA-N 0 1 274.389 3.778 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000426495193 1122805104 /nfs/dbraw/zinc/80/51/04/1122805104.db2.gz JYHKKJPAVCQTGG-JSGCOSHPSA-N 0 1 287.382 3.570 20 0 CHADMN OCCN(Cc1ccc(-c2ccccc2)cc1F)C1CCC1 ZINC000439795048 1122806040 /nfs/dbraw/zinc/80/60/40/1122806040.db2.gz SRKXBJCAFJMZCN-UHFFFAOYSA-N 0 1 299.389 3.840 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1cnsc1 ZINC000712914272 1122809728 /nfs/dbraw/zinc/80/97/28/1122809728.db2.gz OIWUQDSFWWJNOK-CYBMUJFWSA-N 0 1 276.405 3.848 20 0 CHADMN CCS[C@H]1CCC[C@@H]1NCc1cc(-c2ccco2)on1 ZINC000298437251 1122815368 /nfs/dbraw/zinc/81/53/68/1122815368.db2.gz GTHSCJROJYFLAR-WFASDCNBSA-N 0 1 292.404 3.698 20 0 CHADMN CCOc1ccc2nc(Cc3cccs3)[nH]c2c1 ZINC001250604640 1122815530 /nfs/dbraw/zinc/81/55/30/1122815530.db2.gz MPLUAGSKCMAMDJ-UHFFFAOYSA-N 0 1 258.346 3.614 20 0 CHADMN COc1cc2[nH]c(Cc3cccs3)nc2cc1Cl ZINC001250604644 1122815763 /nfs/dbraw/zinc/81/57/63/1122815763.db2.gz MXDFHHFWJBFWLI-UHFFFAOYSA-N 0 1 278.764 3.877 20 0 CHADMN CC(C)CCOC(=O)N=c1cc2[nH]snc-2cc1Cl ZINC001194880796 1122816770 /nfs/dbraw/zinc/81/67/70/1122816770.db2.gz SHVKCIPQIUMVPQ-UHFFFAOYSA-N 0 1 299.783 3.939 20 0 CHADMN Cc1nc2ccccn2c1CN(C)Cc1cccc(Cl)c1 ZINC000506746038 1122822550 /nfs/dbraw/zinc/82/25/50/1122822550.db2.gz BSIVKUOUXZGDAS-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN CN(Cc1cn(C)nc1C1CCCCC1)[C@@H]1CC1(C)C ZINC000426566714 1122823941 /nfs/dbraw/zinc/82/39/41/1122823941.db2.gz UBLBDDJBIDSQRK-OAHLLOKOSA-N 0 1 275.440 3.698 20 0 CHADMN Cc1csc(CN[C@H]2C[C@@H](C)c3ccccc32)n1 ZINC000265316753 1129080636 /nfs/dbraw/zinc/08/06/36/1129080636.db2.gz JUNWKXRZOFOCPX-YGRLFVJLSA-N 0 1 258.390 3.790 20 0 CHADMN COC[C@H](N[C@H](C)c1nc(C(C)(C)C)cs1)C(C)C ZINC000154015234 1129080965 /nfs/dbraw/zinc/08/09/65/1129080965.db2.gz RJHXRICUBKPNCD-NEPJUHHUSA-N 0 1 284.469 3.762 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)N1CCC(CCO)CC1 ZINC000519344314 1122831955 /nfs/dbraw/zinc/83/19/55/1122831955.db2.gz DRWVTVCSWCLEER-NSHDSACASA-N 0 1 285.790 3.635 20 0 CHADMN Cc1cc(-c2noc([C@@H]3CCC3(C)C)n2)cc2nc[nH]c21 ZINC000664795772 1122835796 /nfs/dbraw/zinc/83/57/96/1122835796.db2.gz VGCNJUJPCNKOSP-NSHDSACASA-N 0 1 282.347 3.825 20 0 CHADMN Cc1ccccc1CCCN1CCn2cccc2[C@@H]1C ZINC000440323906 1122836441 /nfs/dbraw/zinc/83/64/41/1122836441.db2.gz GPGLVDLKFFQOGN-INIZCTEOSA-N 0 1 268.404 3.806 20 0 CHADMN CCC[C@@H](C)C[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000775646156 1122853878 /nfs/dbraw/zinc/85/38/78/1122853878.db2.gz UPDJZJZEIXADOY-CQSZACIVSA-N 0 1 289.419 3.723 20 0 CHADMN Cc1ccc(F)c(-c2c(F)cc(F)c(O)c2F)c1 ZINC001250627078 1122854907 /nfs/dbraw/zinc/85/49/07/1122854907.db2.gz FOBIVIPSDWFWNX-UHFFFAOYSA-N 0 1 256.198 3.924 20 0 CHADMN COCc1ccc([C@H]2CCCN2Cc2cc(C)co2)o1 ZINC000894475789 1122860601 /nfs/dbraw/zinc/86/06/01/1122860601.db2.gz PCVSYWREVOVMSO-OAHLLOKOSA-N 0 1 275.348 3.665 20 0 CHADMN CC1(C)CN(CCCCCF)[C@H]1c1cccnc1 ZINC000664822863 1122865108 /nfs/dbraw/zinc/86/51/08/1122865108.db2.gz XNKBFDCGJSDMHH-AWEZNQCLSA-N 0 1 250.361 3.604 20 0 CHADMN C[C@H](N)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000041162284 1122869287 /nfs/dbraw/zinc/86/92/87/1122869287.db2.gz GBHJYKNOLYOYHE-ZETCQYMHSA-N 0 1 272.295 3.849 20 0 CHADMN Cc1cccc(OCCN2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000664829521 1122870577 /nfs/dbraw/zinc/87/05/77/1122870577.db2.gz PDUIGLFFSURACH-SFHVURJKSA-N 0 1 296.414 3.852 20 0 CHADMN Cc1cnc(CCN2CC(C)(C)[C@H]2c2ccncc2)c(C)c1 ZINC000664830517 1122873107 /nfs/dbraw/zinc/87/31/07/1122873107.db2.gz VTMHOTLXUBKJTF-GOSISDBHSA-N 0 1 295.430 3.719 20 0 CHADMN CC(C)[C@@H]1N(Cc2ccnn2C2CCC2)CC12CCC2 ZINC000894584925 1122877323 /nfs/dbraw/zinc/87/73/23/1122877323.db2.gz NQTQNJDKZRQYNW-INIZCTEOSA-N 0 1 273.424 3.619 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CNc1cc2c(cn1)CCC2 ZINC000894640922 1122885704 /nfs/dbraw/zinc/88/57/04/1122885704.db2.gz KLPIWRFLPXSDAU-UHFFFAOYSA-N 0 1 284.407 3.577 20 0 CHADMN Cc1ccsc1C(=O)Nc1[nH]nc2c1cccc2Cl ZINC000154182225 1129084460 /nfs/dbraw/zinc/08/44/60/1129084460.db2.gz NCQUVXLLCMOPOT-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN C[C@@H]1C[C@@H](NCc2ccc(O)c(F)c2)c2ccccc2O1 ZINC000894690950 1122893600 /nfs/dbraw/zinc/89/36/00/1122893600.db2.gz VDAGSTNLJCZIIA-IAQYHMDHSA-N 0 1 287.334 3.533 20 0 CHADMN C[C@@H]1CCC[N@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000154166079 1129084843 /nfs/dbraw/zinc/08/48/43/1129084843.db2.gz PLGKKGJVVLCATN-GFCCVEGCSA-N 0 1 258.390 3.794 20 0 CHADMN C[C@@H]1CCCN1Cc1ncc(-c2ccccc2)s1 ZINC000154166079 1129084848 /nfs/dbraw/zinc/08/48/48/1129084848.db2.gz PLGKKGJVVLCATN-GFCCVEGCSA-N 0 1 258.390 3.794 20 0 CHADMN Cc1nc([C@@H](C)NCc2ccc(-c3ccc(C)cc3)o2)n[nH]1 ZINC000894771902 1122902919 /nfs/dbraw/zinc/90/29/19/1122902919.db2.gz ZXQMWFGZXLDEIY-GFCCVEGCSA-N 0 1 296.374 3.532 20 0 CHADMN CSc1ccc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)o1 ZINC000894783558 1122906128 /nfs/dbraw/zinc/90/61/28/1122906128.db2.gz VLZBCFPZPPJXBD-CYBMUJFWSA-N 0 1 291.420 3.679 20 0 CHADMN CC(C)(CNCc1nnc(C2CC2)s1)C1=CCCC1 ZINC000894803152 1122907065 /nfs/dbraw/zinc/90/70/65/1122907065.db2.gz ZIKWMFNOSOAYLV-UHFFFAOYSA-N 0 1 277.437 3.642 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CN1CC2(C1)CCCCC2 ZINC000894822168 1122909958 /nfs/dbraw/zinc/90/99/58/1122909958.db2.gz OBGSPTPGEGVACY-UHFFFAOYSA-N 0 1 275.440 3.847 20 0 CHADMN CCCC(C)(C)CC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000426703171 1122910051 /nfs/dbraw/zinc/91/00/51/1122910051.db2.gz KCXQSUBJWKDJQC-UHFFFAOYSA-N 0 1 291.370 3.535 20 0 CHADMN CC(C)c1ccc(C[NH2+][C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000426782668 1122915917 /nfs/dbraw/zinc/91/59/17/1122915917.db2.gz HJTCRWBMDMYDNW-OAHLLOKOSA-N 0 1 289.400 3.787 20 0 CHADMN CCCc1cccc(C[NH2+][C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000426793091 1122916291 /nfs/dbraw/zinc/91/62/91/1122916291.db2.gz PATYTEFDNNZESI-OAHLLOKOSA-N 0 1 289.400 3.616 20 0 CHADMN C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)c(F)cc1O ZINC001196453874 1122924309 /nfs/dbraw/zinc/92/43/09/1122924309.db2.gz PFSWPOICRFJRGX-IUCAKERBSA-N 0 1 285.746 3.588 20 0 CHADMN CCCC(C)(C)CC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000426968728 1122928072 /nfs/dbraw/zinc/92/80/72/1122928072.db2.gz OPBJYTNOVSUBLZ-UHFFFAOYSA-N 0 1 286.379 3.627 20 0 CHADMN CCN(Cc1cccn1C)Cc1cccc(Cl)c1 ZINC000507132693 1122928509 /nfs/dbraw/zinc/92/85/09/1122928509.db2.gz UXAQUCVGVMZYDF-UHFFFAOYSA-N 0 1 262.784 3.701 20 0 CHADMN COCc1ccc(-c2nc3cc(C)cc(C)c3[nH]2)o1 ZINC001251033998 1122929655 /nfs/dbraw/zinc/92/96/55/1122929655.db2.gz GFJHDAPDQYFMCA-UHFFFAOYSA-N 0 1 256.305 3.586 20 0 CHADMN Cc1cc(C)c(C(=O)Nc2[nH]nc3c2cccc3Cl)o1 ZINC000154393692 1129087400 /nfs/dbraw/zinc/08/74/00/1129087400.db2.gz LHRMZPODYHQYHS-UHFFFAOYSA-N 0 1 289.722 3.678 20 0 CHADMN COCc1ccc(CN(Cc2ccc(F)cc2)C(C)C)o1 ZINC000507167442 1122932502 /nfs/dbraw/zinc/93/25/02/1122932502.db2.gz LRHHYOJTFAZZPS-UHFFFAOYSA-N 0 1 291.366 3.976 20 0 CHADMN COCCN(Cc1cc(C)c(C)cc1OC(F)F)C1CC1 ZINC000507156433 1122933564 /nfs/dbraw/zinc/93/35/64/1122933564.db2.gz SLMOOYVGMXMPPF-UHFFFAOYSA-N 0 1 299.361 3.516 20 0 CHADMN Cc1ccccc1[C@@H]1CCN(Cc2nc(C(C)(C)C)no2)C1 ZINC000507198728 1122936867 /nfs/dbraw/zinc/93/68/67/1122936867.db2.gz ZUZFWEMQULOJPR-CQSZACIVSA-N 0 1 299.418 3.665 20 0 CHADMN FC(F)(F)C1CCC(=Nc2cn3ccccc3n2)CC1 ZINC001196890532 1122937117 /nfs/dbraw/zinc/93/71/17/1122937117.db2.gz UACVXCDPRFNLRM-SNVBAGLBSA-N 0 1 281.281 3.993 20 0 CHADMN Cc1[nH]nc2ncc(C[N@H+](C)[C@@H](C)c3ccccc3C)cc12 ZINC000507194148 1122937490 /nfs/dbraw/zinc/93/74/90/1122937490.db2.gz QDRLXWJQWCJAIM-AWEZNQCLSA-N 0 1 294.402 3.768 20 0 CHADMN CCc1nocc1CN[C@H](C)c1ccc(C)c(F)c1 ZINC000660204761 1129088132 /nfs/dbraw/zinc/08/81/32/1129088132.db2.gz PJJXIAGBBGDNDG-LLVKDONJSA-N 0 1 262.328 3.535 20 0 CHADMN CCCC[C@@](C)(F)c1nc(-c2ccn3cncc3c2)no1 ZINC000664863242 1122943691 /nfs/dbraw/zinc/94/36/91/1122943691.db2.gz SRMJIERDWALSIY-OAHLLOKOSA-N 0 1 288.326 3.759 20 0 CHADMN CCCC(C)(C)CC(=O)Nc1cc(C(C)=O)ccc1O ZINC000427090077 1122944250 /nfs/dbraw/zinc/94/42/50/1122944250.db2.gz UDSXIYRVIMPSGF-UHFFFAOYSA-N 0 1 277.364 3.750 20 0 CHADMN CCN(Cc1ccc2ccccc2c1)Cc1ccnc(C)n1 ZINC000507332553 1122947986 /nfs/dbraw/zinc/94/79/86/1122947986.db2.gz XXGILJVIKGNXJU-UHFFFAOYSA-N 0 1 291.398 3.960 20 0 CHADMN CC[C@H](CC1CCCC1)C(=O)Nc1cc(N(C)C)ccn1 ZINC001152320415 1122948237 /nfs/dbraw/zinc/94/82/37/1122948237.db2.gz VDOUCEGWGOODJF-CQSZACIVSA-N 0 1 289.423 3.693 20 0 CHADMN CCCCC[C@H](C)CCC(=O)N1CCCC2(CN(C)C2)C1 ZINC001273741142 1122951385 /nfs/dbraw/zinc/95/13/85/1122951385.db2.gz CHPBFBBZZJDACH-INIZCTEOSA-N 0 1 294.483 3.537 20 0 CHADMN Cc1cccc2ncc(C[N@H+](C)[C@@H](C)c3cccs3)n21 ZINC000507434552 1122954591 /nfs/dbraw/zinc/95/45/91/1122954591.db2.gz SCFBAWIUUKGSPA-ZDUSSCGKSA-N 0 1 285.416 3.897 20 0 CHADMN Cc1cccc2ncc(CN(C)[C@@H](C)c3cccs3)n21 ZINC000507434552 1122954596 /nfs/dbraw/zinc/95/45/96/1122954596.db2.gz SCFBAWIUUKGSPA-ZDUSSCGKSA-N 0 1 285.416 3.897 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1cc(F)ccc1Br ZINC000507431044 1122955041 /nfs/dbraw/zinc/95/50/41/1122955041.db2.gz DCOPNTXHONFZSM-SECBINFHSA-N 0 1 286.188 3.819 20 0 CHADMN COc1nc(Cl)ccc1-c1nc2ccc(Cl)cc2[nH]1 ZINC001251562404 1122968876 /nfs/dbraw/zinc/96/88/76/1122968876.db2.gz XEICNEYLKWTSLY-UHFFFAOYSA-N 0 1 294.141 3.940 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1ccncc1F ZINC000334182832 1122968855 /nfs/dbraw/zinc/96/88/55/1122968855.db2.gz FIKFDSPSQNFFDB-SJCJKPOMSA-N 0 1 270.351 3.867 20 0 CHADMN CN(CCC1CCCCC1)CC(=O)Nc1ccccc1F ZINC000507616805 1122977924 /nfs/dbraw/zinc/97/79/24/1122977924.db2.gz QHJKVTPBCVWOIR-UHFFFAOYSA-N 0 1 292.398 3.666 20 0 CHADMN Cc1cc([C@@H]2CCCCN2Cc2c(C)nsc2C)n[nH]1 ZINC001198130927 1122981559 /nfs/dbraw/zinc/98/15/59/1122981559.db2.gz LGUGPEKFDWPJSG-HNNXBMFYSA-N 0 1 290.436 3.519 20 0 CHADMN CCCOc1ncccc1CN[C@@H]1CCc2ccc(C)cc21 ZINC000154719563 1129091949 /nfs/dbraw/zinc/09/19/49/1129091949.db2.gz NXKDIUUCRDKFEM-GOSISDBHSA-N 0 1 296.414 3.956 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cccnc2N(C)C)cc1 ZINC000154727997 1129092075 /nfs/dbraw/zinc/09/20/75/1129092075.db2.gz OSSLXXUHYBLVNV-CQSZACIVSA-N 0 1 283.419 3.561 20 0 CHADMN C[C@]1(NCc2csc(C(F)(F)F)n2)CC=CCC1 ZINC000894867844 1123000400 /nfs/dbraw/zinc/00/04/00/1123000400.db2.gz SPBZSJIDRMAVAA-NSHDSACASA-N 0 1 276.327 3.750 20 0 CHADMN COc1ccc(C)cc1CN1CCc2c(C)cccc2C1 ZINC000729477591 1123000834 /nfs/dbraw/zinc/00/08/34/1123000834.db2.gz KJQPENYYSOFCDT-UHFFFAOYSA-N 0 1 281.399 3.870 20 0 CHADMN Cc1cccnc1[C@H](C)NCc1ccc(Cl)s1 ZINC001198641369 1123003830 /nfs/dbraw/zinc/00/38/30/1123003830.db2.gz PZTFJSLBZRHCRB-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN Fc1cc(F)c2c(c1)CCN(CCCC1CC1)C2 ZINC001198845299 1123012343 /nfs/dbraw/zinc/01/23/43/1123012343.db2.gz XVMTXCSTOGKBFY-UHFFFAOYSA-N 0 1 251.320 3.513 20 0 CHADMN Cc1oc(C[N@H+](C)CC[C@@H]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000519642384 1123012710 /nfs/dbraw/zinc/01/27/10/1123012710.db2.gz KMXUIAJJIIOFGR-OCCSQVGLSA-N 0 1 293.407 3.934 20 0 CHADMN Cc1oc(C[N@H+](C)CC[C@H]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000519642387 1123012777 /nfs/dbraw/zinc/01/27/77/1123012777.db2.gz KMXUIAJJIIOFGR-TZMCWYRMSA-N 0 1 293.407 3.934 20 0 CHADMN CC[C@]1(C)CCC[N@@H+](CC[C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000519645044 1123012957 /nfs/dbraw/zinc/01/29/57/1123012957.db2.gz STGKRYYHFSCPCZ-SJLPKXTDSA-N 0 1 289.419 3.757 20 0 CHADMN Cc1ccc(/C=C/CC(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000440592300 1123018526 /nfs/dbraw/zinc/01/85/26/1123018526.db2.gz VPLWIUAFLKTOOQ-NSCUHMNNSA-N 0 1 291.354 3.913 20 0 CHADMN O=C([O-])[C@@H]1C[N@H+]([C@@H]2C=CCCCCC2)C[C@@H]1c1ccccc1 ZINC000519713025 1123020386 /nfs/dbraw/zinc/02/03/86/1123020386.db2.gz VTUWWRWPUWSBLI-KZNAEPCWSA-N 0 1 299.414 3.676 20 0 CHADMN Cc1cc(CNCc2cc3cnccc3o2)ccc1F ZINC001199077753 1123020538 /nfs/dbraw/zinc/02/05/38/1123020538.db2.gz LSWZXIZWWKSKHE-UHFFFAOYSA-N 0 1 270.307 3.565 20 0 CHADMN COc1ccc(CN2CCCCC[C@H]2c2ccncc2)nc1 ZINC000775938423 1123021963 /nfs/dbraw/zinc/02/19/63/1123021963.db2.gz ANTCVHUVXRBQIH-SFHVURJKSA-N 0 1 297.402 3.603 20 0 CHADMN CCOc1ncccc1CNCc1ccccc1C1CC1 ZINC001199179312 1123022171 /nfs/dbraw/zinc/02/21/71/1123022171.db2.gz YNOXRKGZYVKNBW-UHFFFAOYSA-N 0 1 282.387 3.648 20 0 CHADMN Cc1nc(CNCc2cc3ccccc3s2)[nH]c1C ZINC000519773642 1123023681 /nfs/dbraw/zinc/02/36/81/1123023681.db2.gz LHKFLAAWYYPRNH-UHFFFAOYSA-N 0 1 271.389 3.531 20 0 CHADMN CCOc1ccc(-c2nc(CN(C)C(C)(C)C)co2)cc1 ZINC000519777126 1123025260 /nfs/dbraw/zinc/02/52/60/1123025260.db2.gz YGYUDZHHEVICSM-UHFFFAOYSA-N 0 1 288.391 3.971 20 0 CHADMN CC(C)Oc1ccccc1CNCc1cccc2c[nH]nc21 ZINC000084016796 1123027938 /nfs/dbraw/zinc/02/79/38/1123027938.db2.gz XWOOHVPDPJEVPL-UHFFFAOYSA-N 0 1 295.386 3.640 20 0 CHADMN CCc1csc([C@@H]2CCCN(C[C@@H](F)CC)C2)n1 ZINC000440700417 1123029723 /nfs/dbraw/zinc/02/97/23/1123029723.db2.gz XIAYHQXEGOXOLK-NEPJUHHUSA-N 0 1 270.417 3.633 20 0 CHADMN CC[C@@H](F)CN1CCC[C@@H](c2nc(C)c(C)s2)C1 ZINC000440697079 1123030566 /nfs/dbraw/zinc/03/05/66/1123030566.db2.gz KYTMEAQLSOTEKS-CHWSQXEVSA-N 0 1 270.417 3.687 20 0 CHADMN CC[C@@H](F)CN(C)Cc1cccc(C(F)(F)F)c1 ZINC000440703222 1123031611 /nfs/dbraw/zinc/03/16/11/1123031611.db2.gz QNKUIOJGMVRBJX-GFCCVEGCSA-N 0 1 263.278 3.885 20 0 CHADMN Fc1ccc(CNc2cc3c(cn2)CCCC3)c(F)c1 ZINC000519858673 1123033058 /nfs/dbraw/zinc/03/30/58/1123033058.db2.gz WUHOTVYWZMDBIW-UHFFFAOYSA-N 0 1 274.314 3.851 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCCc3c[nH]nc32)cc(C)c1F ZINC000334472741 1123035117 /nfs/dbraw/zinc/03/51/17/1123035117.db2.gz IFFZCVLQGLXBJX-WFASDCNBSA-N 0 1 287.382 3.894 20 0 CHADMN Cc1c(Cl)cc(NC(=O)C2=CC=CC2)c(O)c1Cl ZINC001199695630 1123038783 /nfs/dbraw/zinc/03/87/83/1123038783.db2.gz ZIJVFSPGUJOWIT-UHFFFAOYSA-N 0 1 284.142 3.832 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccnn1-c1ccccc1 ZINC000414312775 1129094899 /nfs/dbraw/zinc/09/48/99/1129094899.db2.gz ODPXBUNXYRYRNG-NUEKZKHPSA-N 0 1 287.382 3.804 20 0 CHADMN Cc1cc(C)c(CNCc2cc(C(F)(F)F)n[nH]2)c(C)c1 ZINC000440811370 1123042932 /nfs/dbraw/zinc/04/29/32/1123042932.db2.gz GXDZYQUSUBKGJP-UHFFFAOYSA-N 0 1 297.324 3.644 20 0 CHADMN COCC1CN(Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001203946594 1123050486 /nfs/dbraw/zinc/05/04/86/1123050486.db2.gz WYDWBSRRLLHFRH-UHFFFAOYSA-N 0 1 283.371 3.557 20 0 CHADMN O=c1ccnc(O[C@@H]2CCc3cc(Cl)c(Cl)cc32)[nH]1 ZINC001226324637 1123050547 /nfs/dbraw/zinc/05/05/47/1123050547.db2.gz SQMRKCSFDZRIER-LLVKDONJSA-N 0 1 297.141 3.555 20 0 CHADMN C[C@@H]1c2ccc(Cl)n2CCN1CCCc1ccncc1 ZINC000794436721 1123071156 /nfs/dbraw/zinc/07/11/56/1123071156.db2.gz VQXDTZIBZPSDID-CYBMUJFWSA-N 0 1 289.810 3.546 20 0 CHADMN CC(C)c1nc(CNCC[C@@H]2CCC3(CCC3)O2)cs1 ZINC000717000595 1123071892 /nfs/dbraw/zinc/07/18/92/1123071892.db2.gz MSUKEZZCEYFSDD-AWEZNQCLSA-N 0 1 294.464 3.848 20 0 CHADMN CCc1ccc(-c2noc(CN(C)[C@@H](C)C(C)C)n2)cc1 ZINC000520391047 1123083957 /nfs/dbraw/zinc/08/39/57/1123083957.db2.gz ROIRWRYGDZBMDU-ZDUSSCGKSA-N 0 1 287.407 3.775 20 0 CHADMN CCC(C)(C)CCN1CCOC[C@H]1c1ccc(C)o1 ZINC000441409928 1123085791 /nfs/dbraw/zinc/08/57/91/1123085791.db2.gz KHXUKLLEHIJBCC-AWEZNQCLSA-N 0 1 265.397 3.788 20 0 CHADMN Clc1cc(Cl)nc(NC2=CCSCC2)c1 ZINC001201326400 1123087377 /nfs/dbraw/zinc/08/73/77/1123087377.db2.gz GQURZCDVAWUXAJ-UHFFFAOYSA-N 0 1 261.177 3.821 20 0 CHADMN Cc1cc(C)cc(CNCc2cccc(F)c2F)c1 ZINC000083446806 1123089335 /nfs/dbraw/zinc/08/93/35/1123089335.db2.gz MRIUGPHYMUILKU-UHFFFAOYSA-N 0 1 261.315 3.871 20 0 CHADMN CCN(c1ccc(NCc2cn(C)nc2C)cc1)C(C)C ZINC001201338226 1123089372 /nfs/dbraw/zinc/08/93/72/1123089372.db2.gz JJLXMUACPRQQKP-UHFFFAOYSA-N 0 1 286.423 3.575 20 0 CHADMN CO[C@@H]1CCC[C@@H](Nc2ccc3cnccc3c2)CC1 ZINC000894968519 1123094209 /nfs/dbraw/zinc/09/42/09/1123094209.db2.gz AKGNTUQZUMPKTG-NVXWUHKLSA-N 0 1 270.376 3.994 20 0 CHADMN c1cncc(CN(Cc2cccnc2)C[C@H]2CC=CCC2)c1 ZINC001201419112 1123097203 /nfs/dbraw/zinc/09/72/03/1123097203.db2.gz VMFLEWGNVGOZPX-KRWDZBQOSA-N 0 1 293.414 3.835 20 0 CHADMN COc1nc(C(C)C)ccc1Nc1nnc(C(C)(C)C)o1 ZINC001201431836 1123100962 /nfs/dbraw/zinc/10/09/62/1123100962.db2.gz SJEINUFCXLTRCB-UHFFFAOYSA-N 0 1 290.367 3.638 20 0 CHADMN C[C@H](c1nc([C@H]2CCC(F)(F)C2)no1)N1[C@H](C)CC[C@@H]1C ZINC000343242072 1123101057 /nfs/dbraw/zinc/10/10/57/1123101057.db2.gz JTCBNMAVBRFGEY-KXNHARMFSA-N 0 1 299.365 3.906 20 0 CHADMN COC(=O)c1coc(C[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2)c1 ZINC000353227659 1123104090 /nfs/dbraw/zinc/10/40/90/1123104090.db2.gz IKTREDNIZXRFMQ-GUYCJALGSA-N 0 1 299.370 3.649 20 0 CHADMN CCOc1cc2c(cc1OCC)C[N@@H+](CC(C)(C)C)CC2 ZINC001201441343 1123105054 /nfs/dbraw/zinc/10/50/54/1123105054.db2.gz BQPFMGXIOBNITH-UHFFFAOYSA-N 0 1 291.435 3.888 20 0 CHADMN CC(C)=CCC[C@H](C)CN(C)Cc1nnc2ccccn21 ZINC001201488334 1123107954 /nfs/dbraw/zinc/10/79/54/1123107954.db2.gz XGXXGNGCOBXORQ-HNNXBMFYSA-N 0 1 286.423 3.544 20 0 CHADMN CC[C@H](C)CN1CCc2cc(Br)ccc2C1 ZINC001201499042 1123111342 /nfs/dbraw/zinc/11/13/42/1123111342.db2.gz DBJSZLCIFOWUGS-NSHDSACASA-N 0 1 282.225 3.853 20 0 CHADMN CC(C)CN1CCN(C(=O)OC(C)(C)C)C2=CCCC[C@@H]21 ZINC001201482395 1123114739 /nfs/dbraw/zinc/11/47/39/1123114739.db2.gz JSPQYCZPOCVRTA-AWEZNQCLSA-N 0 1 294.439 3.632 20 0 CHADMN Cc1cc(Nc2cncc(OC(C)C)c2)c2ccccc2n1 ZINC001201535344 1123115590 /nfs/dbraw/zinc/11/55/90/1123115590.db2.gz OQKLUSMIZNHPIC-UHFFFAOYSA-N 0 1 293.370 3.891 20 0 CHADMN CCCC1CCC(NC(=O)Cc2[nH]nc3ccccc32)CC1 ZINC000050609321 1123118577 /nfs/dbraw/zinc/11/85/77/1123118577.db2.gz RKZWJZMNTPYKES-UHFFFAOYSA-N 0 1 299.418 3.581 20 0 CHADMN CCC(CC)C[N@H+]1CCc2ncc(C(F)(F)F)cc2C1 ZINC001201531701 1123122825 /nfs/dbraw/zinc/12/28/25/1123122825.db2.gz QCFWASOYYDBHJJ-UHFFFAOYSA-N 0 1 286.341 3.895 20 0 CHADMN c1c2ccccc2n2c1CN(CCC1CC1)CCC2 ZINC000520444243 1123123808 /nfs/dbraw/zinc/12/38/08/1123123808.db2.gz RBTHHQPJNFDMAY-UHFFFAOYSA-N 0 1 254.377 3.647 20 0 CHADMN CCCC[C@@H](CC)CN1CCO[C@H](c2ccccn2)C1 ZINC001201568142 1123125868 /nfs/dbraw/zinc/12/58/68/1123125868.db2.gz OEHBLEKBBXDRTC-WBVHZDCISA-N 0 1 276.424 3.671 20 0 CHADMN CCCCN1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000441448214 1123128478 /nfs/dbraw/zinc/12/84/78/1123128478.db2.gz ORFXTJMVYDYTLU-WBVHZDCISA-N 0 1 261.409 3.865 20 0 CHADMN Cc1cc(NCC(C)(C)C[C@H](C)O)c2cc(F)ccc2n1 ZINC000127240623 1123130498 /nfs/dbraw/zinc/13/04/98/1123130498.db2.gz JPCIGMWHWFZHMH-LBPRGKRZSA-N 0 1 290.382 3.891 20 0 CHADMN Clc1ccc2c(c1)CN(CCc1ccccc1)C2 ZINC001201606229 1123130896 /nfs/dbraw/zinc/13/08/96/1123130896.db2.gz QNQVCABABCPVNR-UHFFFAOYSA-N 0 1 257.764 3.898 20 0 CHADMN CC[C@@H](NCc1ccc(OC)o1)c1ccc(F)cc1 ZINC001201625977 1123132769 /nfs/dbraw/zinc/13/27/69/1123132769.db2.gz HBYMPSVUPVBHKS-CQSZACIVSA-N 0 1 263.312 3.668 20 0 CHADMN Cc1nc(CN[C@@H]2c3ccccc3CC[C@@H]2C)cs1 ZINC001201674965 1123133591 /nfs/dbraw/zinc/13/35/91/1123133591.db2.gz FWTVYDGKEXOOEP-ZBEGNZNMSA-N 0 1 272.417 3.865 20 0 CHADMN CCc1ccc(CNc2cnccc2-n2cccn2)s1 ZINC001201675697 1123134472 /nfs/dbraw/zinc/13/44/72/1123134472.db2.gz JXPRTYHDAMXXMM-UHFFFAOYSA-N 0 1 284.388 3.503 20 0 CHADMN C[C@H]1CCc2ccccc2[C@@H]1NCc1cnsc1 ZINC001201685932 1123142424 /nfs/dbraw/zinc/14/24/24/1123142424.db2.gz YFEZYSCFZONRLB-XHDPSFHLSA-N 0 1 258.390 3.556 20 0 CHADMN C[C@H]1CCc2ccccc2[C@H]1NCc1cnsc1 ZINC001201685929 1123142455 /nfs/dbraw/zinc/14/24/55/1123142455.db2.gz YFEZYSCFZONRLB-NHYWBVRUSA-N 0 1 258.390 3.556 20 0 CHADMN Cc1ncc([C@H](C)N2C[C@@H](C)C[C@@H]2c2cccnc2)c(C)n1 ZINC000639045619 1123144729 /nfs/dbraw/zinc/14/47/29/1123144729.db2.gz LFILMYYWXHIEJT-XAYKYTGQSA-N 0 1 296.418 3.633 20 0 CHADMN Cc1ncc([C@H](C)N2C[C@H](C)C[C@@H]2c2cccnc2)c(C)n1 ZINC000639045618 1123144794 /nfs/dbraw/zinc/14/47/94/1123144794.db2.gz LFILMYYWXHIEJT-UVBSCNOISA-N 0 1 296.418 3.633 20 0 CHADMN CCCCCCN1CCc2cc(F)c(F)cc2C1 ZINC001201761899 1123148699 /nfs/dbraw/zinc/14/86/99/1123148699.db2.gz UZJNKMRWPZCWBP-UHFFFAOYSA-N 0 1 253.336 3.903 20 0 CHADMN Cc1cnn(-c2ccncc2NCc2cccc(C)c2F)c1 ZINC001201803173 1123150468 /nfs/dbraw/zinc/15/04/68/1123150468.db2.gz LCBBWHLECZNFQN-UHFFFAOYSA-N 0 1 296.349 3.635 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1CCC(=O)[C@@H](C)C1 ZINC001201974802 1123158584 /nfs/dbraw/zinc/15/85/84/1123158584.db2.gz FNROBQFTXZCLMU-GJZGRUSLSA-N 0 1 251.414 3.670 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CCC(=O)[C@@H](C)C1 ZINC001201974802 1123158586 /nfs/dbraw/zinc/15/85/86/1123158586.db2.gz FNROBQFTXZCLMU-GJZGRUSLSA-N 0 1 251.414 3.670 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCO[C@H](c2ccco2)C1 ZINC000133372333 1123161134 /nfs/dbraw/zinc/16/11/34/1123161134.db2.gz HHZUKNMOEZLHQO-KRWDZBQOSA-N 0 1 298.317 3.545 20 0 CHADMN CCCCC[C@@H](CC)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000776230828 1123165098 /nfs/dbraw/zinc/16/50/98/1123165098.db2.gz AKASRXGQCOXOCD-SECBINFHSA-N 0 1 291.317 3.974 20 0 CHADMN CC[C@@H]1C[C@@H](C[N@H+]2CCc3c4ccccc4[nH]c3C2)CCO1 ZINC000507780757 1123177884 /nfs/dbraw/zinc/17/78/84/1123177884.db2.gz XICWDOHABOKAEC-LSDHHAIUSA-N 0 1 298.430 3.731 20 0 CHADMN CC[C@@H]1C[C@@H](CN2CCc3c4ccccc4[nH]c3C2)CCO1 ZINC000507780757 1123177887 /nfs/dbraw/zinc/17/78/87/1123177887.db2.gz XICWDOHABOKAEC-LSDHHAIUSA-N 0 1 298.430 3.731 20 0 CHADMN CCS[C@H](C)c1noc(CNC2[C@@H](C)CCC[C@@H]2C)n1 ZINC000182961446 1123178371 /nfs/dbraw/zinc/17/83/71/1123178371.db2.gz JLQGXXUSHGZDCX-SDDRHHMPSA-N 0 1 297.468 3.798 20 0 CHADMN Clc1ccc(CNCc2coc3ccccc23)nc1 ZINC000776254409 1123180401 /nfs/dbraw/zinc/18/04/01/1123180401.db2.gz FJSFCQHLZIXFQQ-UHFFFAOYSA-N 0 1 272.735 3.771 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Br)s2)[C@H]1C ZINC000307359980 1123185386 /nfs/dbraw/zinc/18/53/86/1123185386.db2.gz DQHKAZFOIZJCJW-BDAKNGLRSA-N 0 1 274.227 3.741 20 0 CHADMN FC(F)(F)c1cnc2c(c1)[C@H](NCc1ccoc1)CCC2 ZINC000427603259 1123186819 /nfs/dbraw/zinc/18/68/19/1123186819.db2.gz JMXZDDRUZRSAJR-CYBMUJFWSA-N 0 1 296.292 3.861 20 0 CHADMN CC(C)CC[C@@H]1CCCN1Cc1nc(-c2ccco2)no1 ZINC000135310952 1123188980 /nfs/dbraw/zinc/18/89/80/1123188980.db2.gz FWKMCZHSVAIFDR-ZDUSSCGKSA-N 0 1 289.379 3.730 20 0 CHADMN CC1(C)CC[C@H]2C[C@H](NCc3cnccn3)c3cccc1c32 ZINC000334514338 1123196453 /nfs/dbraw/zinc/19/64/53/1123196453.db2.gz WPHHPYISADADCM-GUYCJALGSA-N 0 1 293.414 3.866 20 0 CHADMN Cc1ccc(CN2CC[C@H](c3c(F)cccc3F)C2)nc1 ZINC000346046504 1123200895 /nfs/dbraw/zinc/20/08/95/1123200895.db2.gz WQFKKTNMQXRVCR-ZDUSSCGKSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1ccc(NC(=O)Nc2ccc(F)c(F)c2O)cc1 ZINC001202432550 1123210567 /nfs/dbraw/zinc/21/05/67/1123210567.db2.gz GDHKQABNECLDMF-UHFFFAOYSA-N 0 1 278.258 3.623 20 0 CHADMN Fc1ccc2c(c1)CCN(CCCC(F)(F)F)C2 ZINC001202433215 1123211542 /nfs/dbraw/zinc/21/15/42/1123211542.db2.gz HZVFMTYNZHTCBD-UHFFFAOYSA-N 0 1 261.262 3.526 20 0 CHADMN CC(C)c1ccccc1CNc1cccc2[nH]nnc21 ZINC001202467323 1123211874 /nfs/dbraw/zinc/21/18/74/1123211874.db2.gz YCFJBARGIFSZHP-UHFFFAOYSA-N 0 1 266.348 3.693 20 0 CHADMN Cc1noc([C@H](C)[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)n1 ZINC000665174535 1123218952 /nfs/dbraw/zinc/21/89/52/1123218952.db2.gz UXROIJYPLQFXAD-BBRMVZONSA-N 0 1 297.402 3.709 20 0 CHADMN CN(C)Cc1cc(-c2ccc(CO)c(Cl)c2)ccc1F ZINC000665199382 1123227664 /nfs/dbraw/zinc/22/76/64/1123227664.db2.gz FWDCXFAALOJDCT-UHFFFAOYSA-N 0 1 293.769 3.700 20 0 CHADMN C[C@@H](CO)c1ccc(-c2ccc(F)c(CN(C)C)c2)cc1 ZINC000665199591 1123227747 /nfs/dbraw/zinc/22/77/47/1123227747.db2.gz ONCDCMKYJIEWKM-ZDUSSCGKSA-N 0 1 287.378 3.650 20 0 CHADMN CC(C)c1nnc(CN[C@@H](C)[C@H](C)C2CCCCC2)o1 ZINC000185519554 1123229733 /nfs/dbraw/zinc/22/97/33/1123229733.db2.gz KUSYXLHDCDIEEJ-STQMWFEESA-N 0 1 279.428 3.888 20 0 CHADMN CC(C)CC[C@H]1CC[C@@H](NCc2nn(C)cc2Cl)C1 ZINC001202475485 1123230291 /nfs/dbraw/zinc/23/02/91/1123230291.db2.gz WQHPIBPBHFTFDD-QWHCGFSZSA-N 0 1 283.847 3.768 20 0 CHADMN Cc1nc(C2(NC[C@@H]3CCC[C@H](C)C3)CCCCC2)no1 ZINC000507893202 1123245537 /nfs/dbraw/zinc/24/55/37/1123245537.db2.gz XEGHPPGFMQSAFD-DZGCQCFKSA-N 0 1 291.439 3.953 20 0 CHADMN CCn1cncc1CN1CCCCC[C@H]1c1ccc(C)o1 ZINC000417795414 1123246455 /nfs/dbraw/zinc/24/64/55/1123246455.db2.gz QUYKBWZBMZUKMS-INIZCTEOSA-N 0 1 287.407 3.922 20 0 CHADMN C[N@H+](Cc1cccc([O-])c1Cl)C(C1CC1)C1CC1 ZINC000507920199 1123247498 /nfs/dbraw/zinc/24/74/98/1123247498.db2.gz MSITWXCFFWCHHD-UHFFFAOYSA-N 0 1 265.784 3.666 20 0 CHADMN C[N@@H+](Cc1cccc([O-])c1Cl)C(C1CC1)C1CC1 ZINC000507920199 1123247502 /nfs/dbraw/zinc/24/75/02/1123247502.db2.gz MSITWXCFFWCHHD-UHFFFAOYSA-N 0 1 265.784 3.666 20 0 CHADMN CC(C)[C@H](C)CN[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000507918313 1123247845 /nfs/dbraw/zinc/24/78/45/1123247845.db2.gz MIINKUCPPUSMAR-CZUORRHYSA-N 0 1 289.398 3.530 20 0 CHADMN C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ccc3c(n2)CCC3)C1 ZINC000334548134 1123250979 /nfs/dbraw/zinc/25/09/79/1123250979.db2.gz ODGOFBXTDGWLJN-KUHUBIRLSA-N 0 1 293.414 3.548 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H](C)c2ccccc2C)cn1 ZINC000427829892 1123252505 /nfs/dbraw/zinc/25/25/05/1123252505.db2.gz YQFJOYWASHJBKB-ZIAGYGMSSA-N 0 1 255.365 3.505 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@@H](C)c2cnc(C)cn2)c1 ZINC000427834686 1123255115 /nfs/dbraw/zinc/25/51/15/1123255115.db2.gz YIVDHIFVJNVBAO-GJZGRUSLSA-N 0 1 269.392 3.814 20 0 CHADMN CCc1ccc(C)nc1NC[C@H]1CCO[C@H](CC)C1 ZINC000850356782 1123255494 /nfs/dbraw/zinc/25/54/94/1123255494.db2.gz SBHAAVVXELQPAW-DZGCQCFKSA-N 0 1 262.397 3.570 20 0 CHADMN c1csc(-c2nc(CN[C@@H]3C=CCC3)cs2)c1 ZINC000850358754 1123256853 /nfs/dbraw/zinc/25/68/53/1123256853.db2.gz KSVFTURADXMYDZ-SNVBAGLBSA-N 0 1 262.403 3.680 20 0 CHADMN CC(C)[C@@H](NCc1cnc(Cl)n1C)c1ccccc1F ZINC000850363417 1123257697 /nfs/dbraw/zinc/25/76/97/1123257697.db2.gz YPOHMXIJPLYEKV-CQSZACIVSA-N 0 1 295.789 3.700 20 0 CHADMN O[C@H]1C[C@H](NCc2ccc(Cl)s2)c2ccccc21 ZINC000850372208 1123259029 /nfs/dbraw/zinc/25/90/29/1123259029.db2.gz RELZDMMBKYOKOZ-STQMWFEESA-N 0 1 279.792 3.670 20 0 CHADMN Cc1cc(Cl)cc(CN[C@@H]2C[C@@H](O)c3ccccc32)c1 ZINC000850373615 1123259435 /nfs/dbraw/zinc/25/94/35/1123259435.db2.gz ICUNHEWVHXVCHY-IAGOWNOFSA-N 0 1 287.790 3.916 20 0 CHADMN O[C@@H]1C[C@H](NCc2ccc(Cl)s2)c2ccccc21 ZINC000850372207 1123259526 /nfs/dbraw/zinc/25/95/26/1123259526.db2.gz RELZDMMBKYOKOZ-QWHCGFSZSA-N 0 1 279.792 3.670 20 0 CHADMN CC(C)OC1CC(N2CCc3ccc(Cl)cc3C2)C1 ZINC000334566613 1123260079 /nfs/dbraw/zinc/26/00/79/1123260079.db2.gz SNSXYTDJQPWVMJ-UHFFFAOYSA-N 0 1 279.811 3.654 20 0 CHADMN Cc1cc(CN(C)[C@H](c2ccccc2C)C(C)C)nn1C ZINC000487407801 1123261751 /nfs/dbraw/zinc/26/17/51/1123261751.db2.gz BPRIHVWPVHVHEN-SFHVURJKSA-N 0 1 285.435 3.866 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3s2)[C@H]1C(=O)[O-] ZINC000334578558 1123262597 /nfs/dbraw/zinc/26/25/97/1123262597.db2.gz KLWKCVUVTRZOEU-IAQYHMDHSA-N 0 1 289.400 3.586 20 0 CHADMN C[C@@H](O)[C@@H](NCc1cc(Cl)cs1)c1ccccc1 ZINC000850420902 1123264659 /nfs/dbraw/zinc/26/46/59/1123264659.db2.gz SXDOPFVOXCIPID-QMTHXVAHSA-N 0 1 281.808 3.613 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H]2COC3(CCC3)C2)cs1 ZINC000850444618 1123268030 /nfs/dbraw/zinc/26/80/30/1123268030.db2.gz VBBSZUPVPAIVKU-NEPJUHHUSA-N 0 1 280.437 3.629 20 0 CHADMN CCOC1CCC(Nc2ccc(CN(C)C)c(F)c2)CC1 ZINC000850457954 1123270387 /nfs/dbraw/zinc/27/03/87/1123270387.db2.gz QEBYUAYVPGUZPA-UHFFFAOYSA-N 0 1 294.414 3.647 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2c2ccsc2)nc1 ZINC000156106385 1129110352 /nfs/dbraw/zinc/11/03/52/1129110352.db2.gz KIUVXCKVZHPGAB-OAHLLOKOSA-N 0 1 258.390 3.789 20 0 CHADMN CCCN(Cc1cccc(O)c1Cl)C[C@@H]1CCCCO1 ZINC000508245764 1123272551 /nfs/dbraw/zinc/27/25/51/1123272551.db2.gz HJPOVQZHIRYZLR-AWEZNQCLSA-N 0 1 297.826 3.827 20 0 CHADMN Cc1cnc([C@H](C)N=c2ccc3ccc(Cl)cc3[nH]2)o1 ZINC000428156225 1123277924 /nfs/dbraw/zinc/27/79/24/1123277924.db2.gz FUFCASRKRIJSMR-JTQLQIEISA-N 0 1 287.750 3.780 20 0 CHADMN C[C@H](NCCOC(F)F)c1nc(-c2ccccc2)cs1 ZINC000850521316 1123280026 /nfs/dbraw/zinc/28/00/26/1123280026.db2.gz GMCLHNKONBRLAQ-JTQLQIEISA-N 0 1 298.358 3.700 20 0 CHADMN CCCc1nc(C)c(CN(C)[C@H]2C[C@@H](OCC)C2(C)C)o1 ZINC000428224237 1123280612 /nfs/dbraw/zinc/28/06/12/1123280612.db2.gz ZESOPPXBWRIQKI-LSDHHAIUSA-N 0 1 294.439 3.571 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2n[nH]c(C(C)C)n2)cc1 ZINC000428217691 1123281684 /nfs/dbraw/zinc/28/16/84/1123281684.db2.gz KGMILPSWILAKRR-INIZCTEOSA-N 0 1 298.434 3.964 20 0 CHADMN COc1ccsc1[C@H](C)N[C@H]1C[C@@H](O)c2ccccc21 ZINC000850527374 1123282043 /nfs/dbraw/zinc/28/20/43/1123282043.db2.gz GIHHSZNVGJIFKU-LEWSCRJBSA-N 0 1 289.400 3.586 20 0 CHADMN COc1c(C)cc(CN(C)[C@@H](C)c2cnc(C)cn2)cc1C ZINC000428219441 1123283233 /nfs/dbraw/zinc/28/32/33/1123283233.db2.gz MJEQYKAUVXFYIQ-HNNXBMFYSA-N 0 1 299.418 3.603 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1cc(F)cc(F)c1 ZINC000850529188 1123284105 /nfs/dbraw/zinc/28/41/05/1123284105.db2.gz OBZGJBNPYYOHPS-PZDALLCQSA-N 0 1 289.325 3.794 20 0 CHADMN C[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1ccc(F)c(F)c1 ZINC000850530370 1123285295 /nfs/dbraw/zinc/28/52/95/1123285295.db2.gz XYIYPSYQSKMVKS-POJUEXTFSA-N 0 1 289.325 3.794 20 0 CHADMN C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C[C@@H]1C ZINC000520824108 1123286559 /nfs/dbraw/zinc/28/65/59/1123286559.db2.gz RQJHVOSJCOCQSC-ISTVAULSSA-N 0 1 299.773 3.583 20 0 CHADMN COc1cccc([C@H](C)N(C)Cc2ccc(Cl)nc2)c1 ZINC000109378163 1123286808 /nfs/dbraw/zinc/28/68/08/1123286808.db2.gz NJRHLBKSYQJAJF-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(Cl)nc1 ZINC000850544034 1123289352 /nfs/dbraw/zinc/28/93/52/1123289352.db2.gz SRLOYABKBUXOCG-ZUZCIYMTSA-N 0 1 288.778 3.779 20 0 CHADMN CCc1nocc1CN[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000660211132 1129111746 /nfs/dbraw/zinc/11/17/46/1129111746.db2.gz AAGLAQDUYNIRAN-KRWDZBQOSA-N 0 1 288.366 3.925 20 0 CHADMN CC[C@H](NCc1cnc(F)c(C)c1)c1ccccc1F ZINC000895147134 1123292166 /nfs/dbraw/zinc/29/21/66/1123292166.db2.gz OIVXMIBKBDUTFO-HNNXBMFYSA-N 0 1 276.330 3.909 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1ccc2cc[nH]c2c1 ZINC000229661020 1123292183 /nfs/dbraw/zinc/29/21/83/1123292183.db2.gz VOYPNXBHURUVHH-SNVBAGLBSA-N 0 1 269.348 3.624 20 0 CHADMN FC(F)(F)[C@@H]1CCN(Cc2ccccn2)CC12CCC2 ZINC000335068525 1123292246 /nfs/dbraw/zinc/29/22/46/1123292246.db2.gz QPNKLWGKNPZJJT-CYBMUJFWSA-N 0 1 284.325 3.636 20 0 CHADMN COc1cc(N[C@@H](C)c2cn[nH]c2C)ccc1OC(F)F ZINC000850562700 1123292796 /nfs/dbraw/zinc/29/27/96/1123292796.db2.gz WUHQUZJZTCUKDL-QMMMGPOBSA-N 0 1 297.305 3.501 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2ccc(C(C)C)cc2)no1 ZINC000109506128 1123297995 /nfs/dbraw/zinc/29/79/95/1123297995.db2.gz BJJNGOIQJWPKHK-LBPRGKRZSA-N 0 1 273.380 3.921 20 0 CHADMN C[C@H](N[C@H](c1nccn1C)C1CC1)c1cccc(Cl)c1 ZINC000353872512 1123303465 /nfs/dbraw/zinc/30/34/65/1123303465.db2.gz VVXYDXYFJHTAMV-NHYWBVRUSA-N 0 1 289.810 3.875 20 0 CHADMN CC(C)c1[nH]ccc1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000335120065 1123304670 /nfs/dbraw/zinc/30/46/70/1123304670.db2.gz MDXBLQRTDUNWLE-UHFFFAOYSA-N 0 1 296.729 3.889 20 0 CHADMN CC[N@@H+](Cc1ccc(C(F)F)c(F)c1)[C@H]1CCCOC1 ZINC000895154316 1123308518 /nfs/dbraw/zinc/30/85/18/1123308518.db2.gz XYUSYAQUFRBDBX-LBPRGKRZSA-N 0 1 287.325 3.764 20 0 CHADMN CCN(Cc1ccccn1)C[C@H]1CCC2(CCCCC2)O1 ZINC000190982131 1123311482 /nfs/dbraw/zinc/31/14/82/1123311482.db2.gz TWFAYDQBLPNKBP-QGZVFWFLSA-N 0 1 288.435 3.785 20 0 CHADMN Cc1cc(CN[C@H]2CCSc3ccc(F)cc32)ccn1 ZINC000335164751 1123314279 /nfs/dbraw/zinc/31/42/79/1123314279.db2.gz SWKAQVLSYKDJGL-HNNXBMFYSA-N 0 1 288.391 3.856 20 0 CHADMN NC(=O)[C@H](c1ccccc1)N1CCSC2(CCC2)CC1 ZINC000335174742 1123316854 /nfs/dbraw/zinc/31/68/54/1123316854.db2.gz DHAPTKQAERCGLC-AWEZNQCLSA-N 0 1 290.432 3.625 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000428249790 1123316869 /nfs/dbraw/zinc/31/68/69/1123316869.db2.gz USRWQWHNVKVUAO-LSDHHAIUSA-N 0 1 298.434 3.615 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2nnc(C(C)C)[nH]2)C1 ZINC000428249790 1123316872 /nfs/dbraw/zinc/31/68/72/1123316872.db2.gz USRWQWHNVKVUAO-LSDHHAIUSA-N 0 1 298.434 3.615 20 0 CHADMN Cc1cnc([C@H](C)NC[C@H]2CCC3(CCCCC3)O2)s1 ZINC000191021434 1123321958 /nfs/dbraw/zinc/32/19/58/1123321958.db2.gz ONTQZEJBCZRXPN-UONOGXRCSA-N 0 1 294.464 3.984 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CC[C@@H](C2CCC2)C1 ZINC000665286344 1123326840 /nfs/dbraw/zinc/32/68/40/1123326840.db2.gz JOBPHCIFTSBHDN-DGCLKSJQSA-N 0 1 277.412 3.550 20 0 CHADMN C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1cccc(F)c1N ZINC000639229272 1123329267 /nfs/dbraw/zinc/32/92/67/1123329267.db2.gz UKJSEVAQZFGTAS-KOLCDFICSA-N 0 1 290.304 3.571 20 0 CHADMN c1cn(C2CCCC2)nc1CN1CC[C@H](C2CCC2)C1 ZINC000665288425 1123331229 /nfs/dbraw/zinc/33/12/29/1123331229.db2.gz NAGWZLLKTMHTIS-HNNXBMFYSA-N 0 1 273.424 3.620 20 0 CHADMN C[C@H](C(=O)Nc1cc(F)cc(Cl)c1O)c1ccsc1 ZINC000353897812 1123332901 /nfs/dbraw/zinc/33/29/01/1123332901.db2.gz RFVQEQGWYZGBKZ-ZETCQYMHSA-N 0 1 299.754 3.988 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@H](CO)c1ccsc1 ZINC000442866561 1123343824 /nfs/dbraw/zinc/34/38/24/1123343824.db2.gz WRHSHKHHOHDXCX-SMDDNHRTSA-N 0 1 293.457 3.854 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000442864978 1123343861 /nfs/dbraw/zinc/34/38/61/1123343861.db2.gz DXDWBNYQLWELEC-SMDDNHRTSA-N 0 1 287.432 3.860 20 0 CHADMN CCCOc1ccc(CN[C@H](C)c2ccc(F)cc2)cn1 ZINC000156699652 1129115446 /nfs/dbraw/zinc/11/54/46/1129115446.db2.gz XEBCOUNOZPBIFE-CYBMUJFWSA-N 0 1 288.366 3.860 20 0 CHADMN CC1(C)C[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)[C@@H]2CCC[C@H]2O1 ZINC000442958267 1123349802 /nfs/dbraw/zinc/34/98/02/1123349802.db2.gz BKNWYWVEKVIWGO-BRSBDYLESA-N 0 1 285.431 3.822 20 0 CHADMN CC1(C)CN(C[C@H]2C[C@@H]2c2ccccc2)[C@@H]2CCC[C@H]2O1 ZINC000442958267 1123349806 /nfs/dbraw/zinc/34/98/06/1123349806.db2.gz BKNWYWVEKVIWGO-BRSBDYLESA-N 0 1 285.431 3.822 20 0 CHADMN CCCN(CC)Cc1coc(-c2cccc(F)c2)n1 ZINC000521813938 1123354141 /nfs/dbraw/zinc/35/41/41/1123354141.db2.gz CJCVFFRBNNNYMJ-UHFFFAOYSA-N 0 1 262.328 3.713 20 0 CHADMN Cc1cc(CN2CCOC[C@@H]2CC(C)C)cc2cccnc12 ZINC000544351171 1123358025 /nfs/dbraw/zinc/35/80/25/1123358025.db2.gz OSNOUWRPJFODQD-SFHVURJKSA-N 0 1 298.430 3.790 20 0 CHADMN C[C@H](c1nc([C@@H](C)C2CC2)no1)N1[C@H](C)CC[C@@H]1C ZINC000443229120 1123365332 /nfs/dbraw/zinc/36/53/32/1123365332.db2.gz XINATLWHNGBWGG-WHOHXGKFSA-N 0 1 263.385 3.517 20 0 CHADMN Fc1cccc(CN2CCC[C@H]2c2cccs2)n1 ZINC000851713991 1123374260 /nfs/dbraw/zinc/37/42/60/1123374260.db2.gz NEZBMJVOEUDTMM-LBPRGKRZSA-N 0 1 262.353 3.619 20 0 CHADMN C[C@H]1CN(Cc2cnc3ccccc3n2)Cc2ccccc21 ZINC000851720587 1123374526 /nfs/dbraw/zinc/37/45/26/1123374526.db2.gz OFDFMJIJQIWHCU-AWEZNQCLSA-N 0 1 289.382 3.749 20 0 CHADMN CN(C)c1cccc([C@@H]2CCCN2Cc2cccc(F)n2)c1 ZINC000851786022 1123381349 /nfs/dbraw/zinc/38/13/49/1123381349.db2.gz VMZUPXBAHYZVLF-KRWDZBQOSA-N 0 1 299.393 3.624 20 0 CHADMN ClC(Cl)=CCNC1(c2ccccc2)CCOCC1 ZINC000851843108 1123384130 /nfs/dbraw/zinc/38/41/30/1123384130.db2.gz ZHBWSXCDNZEPPS-UHFFFAOYSA-N 0 1 286.202 3.601 20 0 CHADMN Cc1cccnc1[C@@H](NCC=C(Cl)Cl)C(C)C ZINC000851844108 1123384879 /nfs/dbraw/zinc/38/48/79/1123384879.db2.gz RWFWVYPPQOWRDQ-LBPRGKRZSA-N 0 1 273.207 3.996 20 0 CHADMN CC[C@](C)(NCc1cc(C)nc(C)n1)c1ccccc1 ZINC000851902639 1123387963 /nfs/dbraw/zinc/38/79/63/1123387963.db2.gz RGJZXUVGWIIFGP-KRWDZBQOSA-N 0 1 269.392 3.508 20 0 CHADMN CC[C@]1(C)CN(Cc2cccc(-c3cccnc3)c2)CCO1 ZINC000191144044 1123388299 /nfs/dbraw/zinc/38/82/99/1123388299.db2.gz BIOMBOIDSPKJJI-LJQANCHMSA-N 0 1 296.414 3.750 20 0 CHADMN Fc1cccc(CN2CCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000851911758 1123389067 /nfs/dbraw/zinc/38/90/67/1123389067.db2.gz DNBHYGOVXRUCNX-WFTPILKQSA-N 0 1 282.362 3.899 20 0 CHADMN C[C@H](c1nc(CCc2ccccc2)no1)N1CCCCCC1 ZINC000191172934 1123392178 /nfs/dbraw/zinc/39/21/78/1123392178.db2.gz SEDAKHPBTPQQPP-OAHLLOKOSA-N 0 1 299.418 3.792 20 0 CHADMN O=C1CC[C@H](CN2CCCC[C@H]2c2cccc(Cl)c2)O1 ZINC000851989496 1123392617 /nfs/dbraw/zinc/39/26/17/1123392617.db2.gz JOKQBUDKYVZMPB-CABCVRRESA-N 0 1 293.794 3.573 20 0 CHADMN O=C1[C@@H]2CCCCCCC2=NN1c1cccc2ncccc21 ZINC000634590501 1129118845 /nfs/dbraw/zinc/11/88/45/1129118845.db2.gz BGLXVJAOUOGYSA-CQSZACIVSA-N 0 1 293.370 3.908 20 0 CHADMN O=c1c2c([nH]n1-c1cccc3ncccc31)CCCCCC2 ZINC000634590501 1129118847 /nfs/dbraw/zinc/11/88/47/1129118847.db2.gz BGLXVJAOUOGYSA-CQSZACIVSA-N 0 1 293.370 3.908 20 0 CHADMN CCN(Cc1cnn(C(C)C)c1)Cc1c[nH]c2ccccc12 ZINC000191189754 1123393828 /nfs/dbraw/zinc/39/38/28/1123393828.db2.gz WRYWHSOCHCNSCM-UHFFFAOYSA-N 0 1 296.418 3.967 20 0 CHADMN CC(C)(CO)[C@@H](NCC=C(Cl)Cl)c1cccs1 ZINC000852050972 1123394105 /nfs/dbraw/zinc/39/41/05/1123394105.db2.gz AJZKPUXWOQALCI-NSHDSACASA-N 0 1 294.247 3.716 20 0 CHADMN C[C@@H](NCC=C(Cl)Cl)[C@@H]1OCCc2sccc21 ZINC000852078963 1123396043 /nfs/dbraw/zinc/39/60/43/1123396043.db2.gz XICBBKLJXBZJPT-PELKAZGASA-N 0 1 292.231 3.659 20 0 CHADMN Fc1cccc(CN2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000852089911 1123396531 /nfs/dbraw/zinc/39/65/31/1123396531.db2.gz XSDBHAACQIIFOB-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN CCc1[nH]n(-c2cc(C(F)(F)F)ccc2F)c(=O)c1C ZINC000634616004 1129121907 /nfs/dbraw/zinc/12/19/07/1129121907.db2.gz XXKKYSLMMXTTSA-ZETCQYMHSA-N 0 1 288.244 3.593 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NCc2csnn2)C1 ZINC000398361290 1123402812 /nfs/dbraw/zinc/40/28/12/1123402812.db2.gz FSODBVRTFYVVLP-CFVMTHIKSA-N 0 1 287.432 3.600 20 0 CHADMN CC(C)(C)c1nnc(CN2CCCC3(CCCC3)CC2)o1 ZINC000852354393 1123403283 /nfs/dbraw/zinc/40/32/83/1123403283.db2.gz NKYVOKHXZUBUJN-UHFFFAOYSA-N 0 1 291.439 3.913 20 0 CHADMN c1coc(C2CCN(Cc3cccc4nsnc43)CC2)c1 ZINC000852323904 1123403720 /nfs/dbraw/zinc/40/37/20/1123403720.db2.gz NDMLMQZCBJDATO-UHFFFAOYSA-N 0 1 299.399 3.664 20 0 CHADMN Cn1c(Cl)cnc1CN1CCCC2(CCCC2)CC1 ZINC000852354679 1123404411 /nfs/dbraw/zinc/40/44/11/1123404411.db2.gz SGTHZOQWAJESSW-UHFFFAOYSA-N 0 1 281.831 3.620 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@H](C(F)(F)F)C2)c1 ZINC001143590127 1123405064 /nfs/dbraw/zinc/40/50/64/1123405064.db2.gz OZGAOAJSLATABO-NSHDSACASA-N 0 1 261.262 3.518 20 0 CHADMN C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCCCCCC1 ZINC000008338909 1123405781 /nfs/dbraw/zinc/40/57/81/1123405781.db2.gz CMMXMTDRQUHLFM-LBPRGKRZSA-N 0 1 296.361 3.558 20 0 CHADMN CCCC1=NN(c2nccc3sccc32)C(=O)[C@@H]1CC ZINC000634596288 1129119751 /nfs/dbraw/zinc/11/97/51/1129119751.db2.gz BLCPUFMUNOKBKS-SNVBAGLBSA-N 0 1 287.388 3.825 20 0 CHADMN ClC(Cl)=CCN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000852595607 1123409668 /nfs/dbraw/zinc/40/96/68/1123409668.db2.gz IQFNEFCXUAPBJD-RYUDHWBXSA-N 0 1 278.223 3.587 20 0 CHADMN ClC(Cl)=CCN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000852595605 1123410373 /nfs/dbraw/zinc/41/03/73/1123410373.db2.gz IQFNEFCXUAPBJD-NWDGAFQWSA-N 0 1 278.223 3.587 20 0 CHADMN Clc1nc(CN2CC[C@H]3C[C@H]3C2)cc2ccccc21 ZINC000852635127 1123410846 /nfs/dbraw/zinc/41/08/46/1123410846.db2.gz KYUIMGHBEFVWQT-AAEUAGOBSA-N 0 1 272.779 3.730 20 0 CHADMN CC(C)(C)c1nnc(CN2CCCC[C@@H]2CC2CCC2)o1 ZINC000852712282 1123412714 /nfs/dbraw/zinc/41/27/14/1123412714.db2.gz NGDYXFFWKQMVPH-CQSZACIVSA-N 0 1 291.439 3.912 20 0 CHADMN CC1(C)C[C@@]1(NCc1ccc(F)cn1)c1ccccc1 ZINC000852771693 1123414743 /nfs/dbraw/zinc/41/47/43/1123414743.db2.gz BKCQCNNNWBKAGU-QGZVFWFLSA-N 0 1 270.351 3.636 20 0 CHADMN CC1=C[C@H](C)C[C@H](CN(C)Cc2nccs2)C1 ZINC000428279090 1123415174 /nfs/dbraw/zinc/41/51/74/1123415174.db2.gz VDHNVBMZQUMKAR-AAEUAGOBSA-N 0 1 250.411 3.567 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H](C)c2ccc3c(c2)CCCO3)cn1 ZINC000852782922 1123416025 /nfs/dbraw/zinc/41/60/25/1123416025.db2.gz XCDQMSCFNWGRAC-ZIAGYGMSSA-N 0 1 297.402 3.522 20 0 CHADMN CCCCCC[C@H](CC)CN(C)C(=O)c1cnccc1N ZINC000852918277 1123416643 /nfs/dbraw/zinc/41/66/43/1123416643.db2.gz WOTKUQBFVOUUIE-AWEZNQCLSA-N 0 1 291.439 3.563 20 0 CHADMN CC1(C)C[C@]1(NCc1ccc(F)nc1)c1ccccc1 ZINC000853091199 1123423858 /nfs/dbraw/zinc/42/38/58/1123423858.db2.gz AFDDNSYZSBOKSU-KRWDZBQOSA-N 0 1 270.351 3.636 20 0 CHADMN Cc1cc(CN[C@@H](c2cccnc2)C2CC2)cc(Cl)n1 ZINC000797600599 1123425562 /nfs/dbraw/zinc/42/55/62/1123425562.db2.gz AQWSSSPAQKKZOK-MRXNPFEDSA-N 0 1 287.794 3.679 20 0 CHADMN CCCCCC[C@](C)(CC)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853220344 1123427952 /nfs/dbraw/zinc/42/79/52/1123427952.db2.gz LADWURJIYWPZTJ-DOMZBBRYSA-N 0 1 281.400 3.796 20 0 CHADMN CC(C)c1ccc2occ(C(=O)O[C@@H](C)c3nnc[nH]3)c2c1 ZINC000853224893 1123428007 /nfs/dbraw/zinc/42/80/07/1123428007.db2.gz ZVGATURDRJPCLT-JTQLQIEISA-N 0 1 299.330 3.592 20 0 CHADMN CCc1cc(CNc2ncnc3ccc(C(C)C)cc32)n[nH]1 ZINC000853323091 1123433768 /nfs/dbraw/zinc/43/37/68/1123433768.db2.gz PBFYKOZLXDANJD-UHFFFAOYSA-N 0 1 295.390 3.651 20 0 CHADMN COC1(CNCc2c(F)cccc2Cl)CCCCC1 ZINC001648960253 1123445735 /nfs/dbraw/zinc/44/57/35/1123445735.db2.gz LDJSVLTVRAPTMD-UHFFFAOYSA-N 0 1 285.790 3.918 20 0 CHADMN c1ccc(C[C@@H]2CCN2Cc2nc3c(s2)CCCC3)cc1 ZINC000776687649 1123446586 /nfs/dbraw/zinc/44/65/86/1123446586.db2.gz HUFMXGOOKYFCTN-HNNXBMFYSA-N 0 1 298.455 3.839 20 0 CHADMN Cc1[nH]ncc1CNc1cccc(C(F)F)c1Cl ZINC000350320486 1123458925 /nfs/dbraw/zinc/45/89/25/1123458925.db2.gz RGMYGRZMYINKED-UHFFFAOYSA-N 0 1 271.698 3.921 20 0 CHADMN C[C@@H]1CCN[C@H](c2nc(-c3ccc(Cl)c(F)c3)no2)C1 ZINC001211880294 1123465633 /nfs/dbraw/zinc/46/56/33/1123465633.db2.gz COAKSUGKRDORDU-PELKAZGASA-N 0 1 295.745 3.590 20 0 CHADMN C[C@@H]1CCC[C@@H](CC(=O)Nc2cccc(-c3cn[nH]n3)c2)C1 ZINC000443666300 1123467623 /nfs/dbraw/zinc/46/76/23/1123467623.db2.gz DNLIMISHXJCDJQ-CHWSQXEVSA-N 0 1 298.390 3.627 20 0 CHADMN CC(C)(C)SCCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000854040449 1123467647 /nfs/dbraw/zinc/46/76/47/1123467647.db2.gz VKSJJALYNYJZAB-CQSZACIVSA-N 0 1 278.465 3.996 20 0 CHADMN CSCCC(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000111991027 1123472574 /nfs/dbraw/zinc/47/25/74/1123472574.db2.gz NEEDJXXNVNNCSO-MRVPVSSYSA-N 0 1 298.795 3.574 20 0 CHADMN C[C@@H](OC(=O)CC1CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000111990142 1123472754 /nfs/dbraw/zinc/47/27/54/1123472754.db2.gz ZAHCXCSNXSDHGG-MRVPVSSYSA-N 0 1 278.739 3.621 20 0 CHADMN CCc1onc(C)c1CN1CC(Cc2ccc(C)cc2)C1 ZINC000895394051 1123474776 /nfs/dbraw/zinc/47/47/76/1123474776.db2.gz KKLRBZPTSDHDMK-UHFFFAOYSA-N 0 1 284.403 3.528 20 0 CHADMN CSc1ccc(CN2CCCC(F)(F)CC2)o1 ZINC000895392480 1123475159 /nfs/dbraw/zinc/47/51/59/1123475159.db2.gz QFDVJHCHTCWYCG-UHFFFAOYSA-N 0 1 261.337 3.623 20 0 CHADMN Cc1ncoc1CNCc1cn(C(F)F)c2ccccc12 ZINC000895407049 1123476884 /nfs/dbraw/zinc/47/68/84/1123476884.db2.gz XMMLNXWZEULQFB-UHFFFAOYSA-N 0 1 291.301 3.623 20 0 CHADMN Cc1ncoc1CN[C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000895403179 1123477649 /nfs/dbraw/zinc/47/76/49/1123477649.db2.gz QWJHZPPTLZNFEB-HOTGVXAUSA-N 0 1 270.376 3.957 20 0 CHADMN Cc1nc2c(n1Cc1cnc3ccccc3c1)CCCC2 ZINC000313302589 1129124733 /nfs/dbraw/zinc/12/47/33/1129124733.db2.gz CTPRZHVSWGHHLG-UHFFFAOYSA-N 0 1 277.371 3.667 20 0 CHADMN [O-]c1ccc(F)c(C[NH2+]CC[C@H]2CCCC2(F)F)c1F ZINC000895544282 1123490123 /nfs/dbraw/zinc/49/01/23/1123490123.db2.gz HROZKLSPWIVPDA-SECBINFHSA-N 0 1 291.288 3.586 20 0 CHADMN FC[C@@H]1CCCN(Cc2ccc(CSC(F)F)o2)C1 ZINC000895546521 1123491153 /nfs/dbraw/zinc/49/11/53/1123491153.db2.gz ODBIYAKHMDVADC-JTQLQIEISA-N 0 1 293.354 3.917 20 0 CHADMN FC1CCN(Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000895546212 1123491379 /nfs/dbraw/zinc/49/13/79/1123491379.db2.gz LZNJMZDRFZEGEV-UHFFFAOYSA-N 0 1 284.787 3.884 20 0 CHADMN CCCCCC(C)(C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000854810368 1123495616 /nfs/dbraw/zinc/49/56/16/1123495616.db2.gz SGCFQOFSUBATFN-UHFFFAOYSA-N 0 1 287.407 3.786 20 0 CHADMN Cc1oc(C(C)(C)C)cc1CNCc1cccnc1C ZINC000895618625 1123497424 /nfs/dbraw/zinc/49/74/24/1123497424.db2.gz LTJUSWGXCUERLV-UHFFFAOYSA-N 0 1 272.392 3.879 20 0 CHADMN CC[C@H](CNC1(c2ncccn2)CCC1)c1ccccc1 ZINC000895622659 1123497836 /nfs/dbraw/zinc/49/78/36/1123497836.db2.gz LTBCYFSZMOQVET-OAHLLOKOSA-N 0 1 281.403 3.639 20 0 CHADMN CC(=O)Nc1nc(CN(C(C)C)C2CCCCC2)cs1 ZINC000173280439 1123511133 /nfs/dbraw/zinc/51/11/33/1123511133.db2.gz JSAOIIRCHFJYET-UHFFFAOYSA-N 0 1 295.452 3.645 20 0 CHADMN C[C@H](Cc1ccccc1C(F)(F)F)N[C@H](C)c1ncco1 ZINC000895767497 1123512335 /nfs/dbraw/zinc/51/23/35/1123512335.db2.gz ZJHPLJCVQWCTKS-GHMZBOCLSA-N 0 1 298.308 3.975 20 0 CHADMN C[C@H](NCCc1ccc(C(C)(C)C)cc1)c1ncco1 ZINC000895765645 1123512540 /nfs/dbraw/zinc/51/25/40/1123512540.db2.gz NQBVMFWYLZGHBH-ZDUSSCGKSA-N 0 1 272.392 3.865 20 0 CHADMN CC[C@H](COC)Nc1ccc(N(CC)C(C)C)cc1 ZINC000776801918 1123513055 /nfs/dbraw/zinc/51/30/55/1123513055.db2.gz GKLREAAAARDVKK-CQSZACIVSA-N 0 1 264.413 3.758 20 0 CHADMN CCCCC[C@@H](C(=O)O[C@H](C)c1n[nH]c(C)n1)C(C)C ZINC000840284818 1123517401 /nfs/dbraw/zinc/51/74/01/1123517401.db2.gz NCRFMILUDWPSRV-DGCLKSJQSA-N 0 1 281.400 3.570 20 0 CHADMN CCC(CC)(CNCc1nccn1C1CC1)C(F)(F)F ZINC000895815735 1123518173 /nfs/dbraw/zinc/51/81/73/1123518173.db2.gz FNHBOOQBDBXMGA-UHFFFAOYSA-N 0 1 289.345 3.676 20 0 CHADMN FC(F)[C@@H]1CCN(Cc2cc3ccccc3s2)CCO1 ZINC000634735203 1129127004 /nfs/dbraw/zinc/12/70/04/1129127004.db2.gz ZBSDMMIPUPKKFT-ZDUSSCGKSA-N 0 1 297.370 3.757 20 0 CHADMN CC[C@H](C(=O)N(CC)c1ccc2ccccc2c1)N(C)C ZINC000840301098 1123524198 /nfs/dbraw/zinc/52/41/98/1123524198.db2.gz NRUFSOOHSYYHES-QGZVFWFLSA-N 0 1 284.403 3.533 20 0 CHADMN Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2O)ccc1F ZINC000474426567 1123527163 /nfs/dbraw/zinc/52/71/63/1123527163.db2.gz LQCNXYORIDRIRP-UHFFFAOYSA-N 0 1 297.688 3.885 20 0 CHADMN C[C@@H]1CC([NH2+][C@@H]2C=CC[CH]2)C[C@@H](C)N1Cc1ccccc1 ZINC001168035012 1123530100 /nfs/dbraw/zinc/53/01/00/1123530100.db2.gz SDLMBPPOWPOKEG-JFIYKMOQSA-N 0 1 283.439 3.550 20 0 CHADMN FC(F)[C@@H](NCC1CC(F)(F)C1)C1CCCCC1 ZINC000856823272 1123571641 /nfs/dbraw/zinc/57/16/41/1123571641.db2.gz WENRTMAEPVHQSW-NSHDSACASA-N 0 1 267.310 3.835 20 0 CHADMN Cc1ncoc1CN[C@H]1CCc2cccc3cccc1c32 ZINC000895933871 1123532212 /nfs/dbraw/zinc/53/22/12/1123532212.db2.gz HLXBCQLJITVNTO-INIZCTEOSA-N 0 1 278.355 3.913 20 0 CHADMN CCc1ccc(C[N@H+]2CCc3ccccc3[C@H]2C)nc1 ZINC000338979900 1123533434 /nfs/dbraw/zinc/53/34/34/1123533434.db2.gz FKCAQFLNRRXCSF-CQSZACIVSA-N 0 1 266.388 3.763 20 0 CHADMN CCc1ccc(CN2CCc3ccccc3[C@H]2C)nc1 ZINC000338979900 1123533440 /nfs/dbraw/zinc/53/34/40/1123533440.db2.gz FKCAQFLNRRXCSF-CQSZACIVSA-N 0 1 266.388 3.763 20 0 CHADMN CCc1ccc(CN2CC[C@@H](O)C[C@@H]2c2ccccc2)o1 ZINC000639366361 1123535032 /nfs/dbraw/zinc/53/50/32/1123535032.db2.gz KCRUGYPNVMVXEG-CRAIPNDOSA-N 0 1 285.387 3.540 20 0 CHADMN CCc1cccc(F)c1CNCc1ccc(COC)cc1 ZINC000474466766 1123535063 /nfs/dbraw/zinc/53/50/63/1123535063.db2.gz AQLCOZKNZYSJAP-UHFFFAOYSA-N 0 1 287.378 3.824 20 0 CHADMN COCC1CN(CCCc2c(Cl)cccc2Cl)C1 ZINC000895969842 1123536942 /nfs/dbraw/zinc/53/69/42/1123536942.db2.gz NHZXOFZYAROJQR-UHFFFAOYSA-N 0 1 288.218 3.504 20 0 CHADMN COCC1CN(Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000895971666 1123537352 /nfs/dbraw/zinc/53/73/52/1123537352.db2.gz NUDOKRSAPKGCPS-UHFFFAOYSA-N 0 1 291.778 3.678 20 0 CHADMN CCC1(CC)CCCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000618667326 1123542833 /nfs/dbraw/zinc/54/28/33/1123542833.db2.gz HXLVXNZKKXFVID-UHFFFAOYSA-N 0 1 285.391 3.605 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C[C@@H]1CCCC[C@H]1C ZINC000543707163 1123550833 /nfs/dbraw/zinc/55/08/33/1123550833.db2.gz FCDNWYPDBAQANH-SCZZXKLOSA-N 0 1 285.338 3.811 20 0 CHADMN Cn1cc(CN[C@@H](c2ccccc2)C(C)(C)C)c(Cl)n1 ZINC000856765346 1123567001 /nfs/dbraw/zinc/56/70/01/1123567001.db2.gz HIAXOYIQMYXTEV-AWEZNQCLSA-N 0 1 291.826 3.951 20 0 CHADMN Cc1ccccc1[C@H](NCc1cn(C)nc1Cl)C(C)C ZINC000856770957 1123567984 /nfs/dbraw/zinc/56/79/84/1123567984.db2.gz SXSBFNVXYIIJQK-OAHLLOKOSA-N 0 1 291.826 3.869 20 0 CHADMN COc1cccc([C@H](C)NCc2cc(F)cc(F)c2)c1 ZINC000097901317 1123578331 /nfs/dbraw/zinc/57/83/31/1123578331.db2.gz PMRJPVZYAIMXEV-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN CC[C@@]1(C)COCCN1C[C@H](OC(C)C)c1ccccc1 ZINC000428301630 1123586454 /nfs/dbraw/zinc/58/64/54/1123586454.db2.gz KSAWZHQPCVBZEO-ROUUACIJSA-N 0 1 291.435 3.654 20 0 CHADMN C[C@@H]1CC[C@H](Sc2nc(-c3ccccc3F)n[nH]2)C1 ZINC000543710437 1123587131 /nfs/dbraw/zinc/58/71/31/1123587131.db2.gz XMBSHMKOTDKEDW-ZJUUUORDSA-N 0 1 277.368 3.892 20 0 CHADMN COc1ccc(CN2CCC[C@@H](C)C2)c(Cl)c1OC ZINC000157716395 1129132357 /nfs/dbraw/zinc/13/23/57/1129132357.db2.gz ILVGGGWVSGEYBG-LLVKDONJSA-N 0 1 283.799 3.589 20 0 CHADMN CN(CCc1nccs1)Cc1ccc(F)cc1Cl ZINC000157714183 1129132379 /nfs/dbraw/zinc/13/23/79/1129132379.db2.gz FYRGMIXJDBKJCG-UHFFFAOYSA-N 0 1 284.787 3.610 20 0 CHADMN CCc1ccc(C(C)(C)C(=O)NOC2CCCCC2)cc1 ZINC000857493331 1123602897 /nfs/dbraw/zinc/60/28/97/1123602897.db2.gz WGUFOPZBCDAIGC-UHFFFAOYSA-N 0 1 289.419 3.907 20 0 CHADMN CCCN(C)CC(=O)N(CC(C)C)c1ccc(CC)cc1 ZINC000857500591 1123603258 /nfs/dbraw/zinc/60/32/58/1123603258.db2.gz VOMUUXPKRASWEC-UHFFFAOYSA-N 0 1 290.451 3.580 20 0 CHADMN Cc1c(F)nccc1CN(Cc1ccccn1)CC(C)C ZINC000896660674 1123609975 /nfs/dbraw/zinc/60/99/75/1123609975.db2.gz BKLPNPIPOZUGOE-UHFFFAOYSA-N 0 1 287.382 3.582 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)N[C@H]2CCCc3c[nH]nc32)c1 ZINC000857846758 1123620782 /nfs/dbraw/zinc/62/07/82/1123620782.db2.gz GQYFGSHDXZUHFU-DYVFJYSZSA-N 0 1 299.418 3.925 20 0 CHADMN CSc1ccc(N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000857859182 1123622317 /nfs/dbraw/zinc/62/23/17/1123622317.db2.gz DMFNVYAVQCGHIA-ZDUSSCGKSA-N 0 1 259.378 3.621 20 0 CHADMN Cc1cc([C@@H](N[C@H]2CCCc3c[nH]nc32)C2CC2)ccc1F ZINC000857859604 1123622423 /nfs/dbraw/zinc/62/24/23/1123622423.db2.gz HBWQGLOBHGESER-IRXDYDNUSA-N 0 1 299.393 3.976 20 0 CHADMN C/C=C(/C)C(=O)Nc1cccc2c1CN(CCC(C)C)C2 ZINC000081733196 1129137844 /nfs/dbraw/zinc/13/78/44/1129137844.db2.gz AWZYMDXNJNCCNA-RZNTYIFUSA-N 0 1 286.419 3.953 20 0 CHADMN C[C@@H](N[C@H]1CCCc2cn[nH]c21)c1c(F)cccc1Cl ZINC000857857176 1123622562 /nfs/dbraw/zinc/62/25/62/1123622562.db2.gz BCGXYZYVUKJACG-RNCFNFMXSA-N 0 1 293.773 3.930 20 0 CHADMN CC(F)(F)c1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000857868643 1123622952 /nfs/dbraw/zinc/62/29/52/1123622952.db2.gz YTHUZMIZFDHPIY-AWEZNQCLSA-N 0 1 291.345 3.689 20 0 CHADMN c1cc2cc(CN[C@H]3CCCc4c[nH]nc43)ccc2s1 ZINC000857866214 1123623575 /nfs/dbraw/zinc/62/35/75/1123623575.db2.gz AWNYYASWMRNTKF-AWEZNQCLSA-N 0 1 283.400 3.792 20 0 CHADMN c1cc2cccc(CN[C@@H]3CCCc4c[nH]nc43)c2s1 ZINC000857872627 1123623900 /nfs/dbraw/zinc/62/39/00/1123623900.db2.gz OJICJQBJGPAKCD-CQSZACIVSA-N 0 1 283.400 3.792 20 0 CHADMN COc1cc(C)c(C)cc1N[C@@H]1CCCc2cn[nH]c21 ZINC000857872422 1123624716 /nfs/dbraw/zinc/62/47/16/1123624716.db2.gz MMHUNHIZCQBIRC-CYBMUJFWSA-N 0 1 271.364 3.525 20 0 CHADMN C[C@@H](CC(F)(F)F)N[C@H]1CCc2ccc(Cl)nc21 ZINC000857911093 1123626257 /nfs/dbraw/zinc/62/62/57/1123626257.db2.gz WRGRQCIICDLIHY-CBAPKCEASA-N 0 1 278.705 3.653 20 0 CHADMN CCCN(Cc1cocn1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000191945294 1123632193 /nfs/dbraw/zinc/63/21/93/1123632193.db2.gz RDPNSDZABDXXIL-CVEARBPZSA-N 0 1 292.423 3.624 20 0 CHADMN CCC(F)(F)C(C)(C)CNCc1nnc(C(C)C)s1 ZINC000858149326 1123635167 /nfs/dbraw/zinc/63/51/67/1123635167.db2.gz HGPVHAUKTIHDBI-UHFFFAOYSA-N 0 1 291.411 3.823 20 0 CHADMN Fc1cccc(C2(NCc3ccnc(F)c3)CCC2)c1 ZINC000858182287 1123636146 /nfs/dbraw/zinc/63/61/46/1123636146.db2.gz NSFIYYJDOOXWTJ-UHFFFAOYSA-N 0 1 274.314 3.529 20 0 CHADMN CC1(C)C[C@]1(NCc1ccnc(F)c1)c1ccccc1 ZINC000858196204 1123637274 /nfs/dbraw/zinc/63/72/74/1123637274.db2.gz JWTXITAKKHSWAS-KRWDZBQOSA-N 0 1 270.351 3.636 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnn1C)c1cccc(C(F)(F)F)c1 ZINC000192248877 1123637797 /nfs/dbraw/zinc/63/77/97/1123637797.db2.gz BRUDSGVXFVPLEX-MNOVXSKESA-N 0 1 297.324 3.851 20 0 CHADMN CC[C@@H](NCc1cnc(C)cn1)c1cc(C)ccc1C ZINC000858295632 1123642718 /nfs/dbraw/zinc/64/27/18/1123642718.db2.gz HALMWKTXKDMWHZ-QGZVFWFLSA-N 0 1 269.392 3.643 20 0 CHADMN CCc1nnc([C@H](C)N[C@@H](C)[C@@H](C)C2CCCCC2)o1 ZINC000329695736 1123645821 /nfs/dbraw/zinc/64/58/21/1123645821.db2.gz XPTVFNNBSGZRKC-AGIUHOORSA-N 0 1 279.428 3.888 20 0 CHADMN C[C@@]1(CN[C@H]2CCCc3scnc32)CC1(Cl)Cl ZINC000858423056 1123652673 /nfs/dbraw/zinc/65/26/73/1123652673.db2.gz WZPZFAHXXBELTD-KWQFWETISA-N 0 1 291.247 3.694 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H]1CCc2ccc(Cl)cc21 ZINC000858583359 1123665976 /nfs/dbraw/zinc/66/59/76/1123665976.db2.gz ZXEKGTIIBIWOFB-NHYWBVRUSA-N 0 1 287.794 3.777 20 0 CHADMN CC(C)c1cnc(CN(C)C2Cc3ccccc3C2)s1 ZINC000346145493 1123667366 /nfs/dbraw/zinc/66/73/66/1123667366.db2.gz SKLAGBRBGSWKNP-UHFFFAOYSA-N 0 1 286.444 3.866 20 0 CHADMN Cc1cc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)cc2cccnc12 ZINC000346135036 1123668235 /nfs/dbraw/zinc/66/82/35/1123668235.db2.gz GLTZLPVSLDIQEE-AWEZNQCLSA-N 0 1 284.403 3.543 20 0 CHADMN Cc1cc(CN2C[C@H](C)OC(C)(C)C2)cc2cccnc12 ZINC000346135036 1123668239 /nfs/dbraw/zinc/66/82/39/1123668239.db2.gz GLTZLPVSLDIQEE-AWEZNQCLSA-N 0 1 284.403 3.543 20 0 CHADMN CC[C@H]1CN(Cc2cc(C)c3ncccc3c2)C[C@H](C)O1 ZINC000346159417 1123669100 /nfs/dbraw/zinc/66/91/00/1123669100.db2.gz VGHQDHLZXSISHE-YOEHRIQHSA-N 0 1 284.403 3.543 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@@H]([C@H]3CCOC3)C2)s1 ZINC000346215498 1123671652 /nfs/dbraw/zinc/67/16/52/1123671652.db2.gz KKQQWWIECSBKPW-KGLIPLIRSA-N 0 1 294.464 3.515 20 0 CHADMN CN(Cc1ccc(F)c(Cl)c1)[C@H](CO)c1ccccc1 ZINC000346239455 1123673572 /nfs/dbraw/zinc/67/35/72/1123673572.db2.gz FOEPKJDOEWHITQ-MRXNPFEDSA-N 0 1 293.769 3.645 20 0 CHADMN CCCCOC1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000353997089 1123674633 /nfs/dbraw/zinc/67/46/33/1123674633.db2.gz IIHFVGYAMIDPDC-UHFFFAOYSA-N 0 1 295.398 3.615 20 0 CHADMN CCc1nc(C(C)C)ccc1CN(C)CCOCC1CC1 ZINC000339015671 1123675661 /nfs/dbraw/zinc/67/56/61/1123675661.db2.gz WLKAOJLGLBZDGD-UHFFFAOYSA-N 0 1 290.451 3.626 20 0 CHADMN CC[C@@H](c1ccccc1)N(CC)C(=O)c1cc(C2CC2)[nH]n1 ZINC000346364127 1123682959 /nfs/dbraw/zinc/68/29/59/1123682959.db2.gz YRCAQPAEPQDWDX-KRWDZBQOSA-N 0 1 297.402 3.901 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2ccnc(F)c2)c1 ZINC000859088543 1123683463 /nfs/dbraw/zinc/68/34/63/1123683463.db2.gz QRCBZERZDRKWSM-MRXNPFEDSA-N 0 1 270.351 3.866 20 0 CHADMN CC[C@H](c1ccccc1)N(CC)C(=O)c1cc(C2CC2)[nH]n1 ZINC000346364132 1123683549 /nfs/dbraw/zinc/68/35/49/1123683549.db2.gz YRCAQPAEPQDWDX-QGZVFWFLSA-N 0 1 297.402 3.901 20 0 CHADMN CCOc1cccc(CN2CCCC[C@H]2c2ccnn2C)c1 ZINC000281152911 1123685250 /nfs/dbraw/zinc/68/52/50/1123685250.db2.gz FOQTTWIPLOVINH-SFHVURJKSA-N 0 1 299.418 3.546 20 0 CHADMN Cc1cccc(CN2CCC[C@@H]2c2ccsc2)n1 ZINC000346450572 1123687547 /nfs/dbraw/zinc/68/75/47/1123687547.db2.gz PDHHICPMSXGWEC-OAHLLOKOSA-N 0 1 258.390 3.789 20 0 CHADMN FC1(F)CC[C@@H](CN[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000281205542 1123687823 /nfs/dbraw/zinc/68/78/23/1123687823.db2.gz TXRWLXDQIOAVCO-OCCSQVGLSA-N 0 1 291.345 3.524 20 0 CHADMN CCC1(CC)CCCN(Cc2ncnn2CC(C)C)CC1 ZINC000346472300 1123688547 /nfs/dbraw/zinc/68/85/47/1123688547.db2.gz PUCYPEPTDTWKAG-UHFFFAOYSA-N 0 1 292.471 3.726 20 0 CHADMN CC1(C)c2ccccc2CC[N@@H+]1Cc1ccnc(F)c1 ZINC000859226134 1123691106 /nfs/dbraw/zinc/69/11/06/1123691106.db2.gz YIZFTWWNAWIRSQ-UHFFFAOYSA-N 0 1 270.351 3.514 20 0 CHADMN CC1(C)c2ccccc2CCN1Cc1ccnc(F)c1 ZINC000859226134 1123691108 /nfs/dbraw/zinc/69/11/08/1123691108.db2.gz YIZFTWWNAWIRSQ-UHFFFAOYSA-N 0 1 270.351 3.514 20 0 CHADMN Fc1cc(CN2CCCC[C@H]2c2ccccc2)ccn1 ZINC000859252087 1123693238 /nfs/dbraw/zinc/69/32/38/1123693238.db2.gz JEKJMOWILUTEQV-INIZCTEOSA-N 0 1 270.351 3.948 20 0 CHADMN Fc1cc(C[N@H+]2CCC[C@H](c3ccccc3)C2)ccn1 ZINC000859314151 1123694997 /nfs/dbraw/zinc/69/49/97/1123694997.db2.gz PHGZIXBJQHPZPB-INIZCTEOSA-N 0 1 270.351 3.600 20 0 CHADMN C[C@@H](CCC1CC1)NCc1nnc(C(C)(C)C)s1 ZINC000346553880 1123695334 /nfs/dbraw/zinc/69/53/34/1123695334.db2.gz WGEADJHKKYYWQR-JTQLQIEISA-N 0 1 267.442 3.504 20 0 CHADMN Cc1oncc1CN1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000859414608 1123696550 /nfs/dbraw/zinc/69/65/50/1123696550.db2.gz HWJKXCRGEFJTIO-ZDUSSCGKSA-N 0 1 292.329 3.641 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1N[C@@H](C)c1ncc(C)o1 ZINC000346583333 1123697942 /nfs/dbraw/zinc/69/79/42/1123697942.db2.gz VZBBECGYCBDMJZ-YNEHKIRRSA-N 0 1 268.426 3.698 20 0 CHADMN CC(C)[C@]1(C)C[C@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000346618765 1123698203 /nfs/dbraw/zinc/69/82/03/1123698203.db2.gz ZCBJHSSSWLYGCB-ZBEGNZNMSA-N 0 1 282.347 3.763 20 0 CHADMN CC(C)[C@@]1(C)C[C@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000346618764 1123698605 /nfs/dbraw/zinc/69/86/05/1123698605.db2.gz ZCBJHSSSWLYGCB-MEDUHNTESA-N 0 1 282.347 3.763 20 0 CHADMN Cc1ccsc1CN1CCCC[C@@H]1c1ccnn1C ZINC000281378573 1123700776 /nfs/dbraw/zinc/70/07/76/1123700776.db2.gz WBFWWQNVLBNJAW-CQSZACIVSA-N 0 1 275.421 3.517 20 0 CHADMN CSCCCN(C)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000281415374 1123708904 /nfs/dbraw/zinc/70/89/04/1123708904.db2.gz OJGSXAPGMDRXFE-UHFFFAOYSA-N 0 1 290.432 3.835 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@@H]1CCc2c1cccc2F ZINC000281482939 1123710214 /nfs/dbraw/zinc/71/02/14/1123710214.db2.gz VNHRRGNSHDKSSU-QGZVFWFLSA-N 0 1 287.382 3.689 20 0 CHADMN CC[C@@H](NCc1cnc(Cl)cn1)c1cc(C)ccc1C ZINC000859937027 1123717107 /nfs/dbraw/zinc/71/71/07/1123717107.db2.gz QDKDYDYZMKRVNF-OAHLLOKOSA-N 0 1 289.810 3.988 20 0 CHADMN CC1(C)CCCN(Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000335940489 1123718536 /nfs/dbraw/zinc/71/85/36/1123718536.db2.gz MBEFPHDOLJNKFC-CYBMUJFWSA-N 0 1 280.437 3.617 20 0 CHADMN COCC[C@H](N[C@@H](C)c1ccns1)c1ccccc1 ZINC000860058173 1123719368 /nfs/dbraw/zinc/71/93/68/1123719368.db2.gz JBZVXJWHEACHAG-JSGCOSHPSA-N 0 1 276.405 3.572 20 0 CHADMN Cc1nc(C(C)C)ccc1CN[C@@H](C)c1ccns1 ZINC000860062007 1123720343 /nfs/dbraw/zinc/72/03/43/1123720343.db2.gz QHSDZJPYWMAYIM-LBPRGKRZSA-N 0 1 275.421 3.821 20 0 CHADMN Fc1cccc(C[C@H]2CCCN2Cc2cncc(F)c2)c1 ZINC000346836547 1123725393 /nfs/dbraw/zinc/72/53/93/1123725393.db2.gz OCBNSAQLPMUCOT-QGZVFWFLSA-N 0 1 288.341 3.567 20 0 CHADMN c1sc(CNC[C@H]2CCC=CO2)nc1-c1ccccc1 ZINC000275854932 1129141222 /nfs/dbraw/zinc/14/12/22/1129141222.db2.gz SGTKLMAODSDLHP-CQSZACIVSA-N 0 1 286.400 3.592 20 0 CHADMN Cc1nc(-c2ccccc2)oc1CN1CCS[C@H](C)C1 ZINC000639476077 1123733419 /nfs/dbraw/zinc/73/34/19/1123733419.db2.gz HAAHZYSHKFDTLH-GFCCVEGCSA-N 0 1 288.416 3.587 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cnn(C)c2C(F)(F)F)c1 ZINC000346950483 1123736303 /nfs/dbraw/zinc/73/63/03/1123736303.db2.gz ZEHVAYUTNHJZAP-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN CCn1c2ccc(-c3ccc(C)s3)cc2nc1CN ZINC000629758932 1123741988 /nfs/dbraw/zinc/74/19/88/1123741988.db2.gz XACTURBRRIAEFA-UHFFFAOYSA-N 0 1 271.389 3.552 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](c2ccccc2)C2CC2)cn1 ZINC000428327312 1123748820 /nfs/dbraw/zinc/74/88/20/1123748820.db2.gz SJZHRRZRJQFARF-SUMWQHHRSA-N 0 1 267.376 3.587 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)C[C@@H]1CC[C@@H](C)O1 ZINC000475055653 1123757549 /nfs/dbraw/zinc/75/75/49/1123757549.db2.gz WYVNVJBIXJEOFO-UPJWGTAASA-N 0 1 267.800 3.900 20 0 CHADMN CSc1ccc(N(C)Cc2[nH]nc3ccccc32)cc1 ZINC000680650489 1123757775 /nfs/dbraw/zinc/75/77/75/1123757775.db2.gz MLFDHGKJLPEIJC-UHFFFAOYSA-N 0 1 283.400 3.921 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@@H](C)c1ccncc1F)CCC2 ZINC000336381638 1123767660 /nfs/dbraw/zinc/76/76/60/1123767660.db2.gz QJXWVSDUZJPPOX-ZANVPECISA-N 0 1 291.395 3.714 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cnc(C2CC2)s1 ZINC000336394897 1123768679 /nfs/dbraw/zinc/76/86/79/1123768679.db2.gz UXOQZEYBWISJEN-UHFFFAOYSA-N 0 1 294.763 3.632 20 0 CHADMN COc1ccccc1C(C)(C)NCc1ccc(F)c(F)c1 ZINC000103172152 1123781792 /nfs/dbraw/zinc/78/17/92/1123781792.db2.gz XPQVEIBITMLVLI-UHFFFAOYSA-N 0 1 291.341 3.998 20 0 CHADMN CC[C@H](NCc1c(C)noc1C)c1cccs1 ZINC000103744397 1123789915 /nfs/dbraw/zinc/78/99/15/1123789915.db2.gz RSKIYXFYYDOBDV-LBPRGKRZSA-N 0 1 250.367 3.594 20 0 CHADMN Cc1c(F)nccc1CN(C)[C@@H](C)c1ccccc1 ZINC000862212390 1123791925 /nfs/dbraw/zinc/79/19/25/1123791925.db2.gz IDMORGALFAONSP-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN Cc1c(F)nccc1CN1CCC[C@@H]1c1ccsc1 ZINC000862220387 1123793009 /nfs/dbraw/zinc/79/30/09/1123793009.db2.gz LWKQBVXYAYWROC-CQSZACIVSA-N 0 1 276.380 3.928 20 0 CHADMN C[C@@H](N[C@H](C)c1ccncn1)c1ccc(C(F)(F)F)cc1 ZINC000395912635 1123794525 /nfs/dbraw/zinc/79/45/25/1123794525.db2.gz PRPFAOBLNKTWAH-GHMZBOCLSA-N 0 1 295.308 3.907 20 0 CHADMN Cc1c(F)nccc1CNCc1ccc(C(F)(F)F)cc1 ZINC000862263150 1123796161 /nfs/dbraw/zinc/79/61/61/1123796161.db2.gz OXWIPGGLPDSBDA-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Cc1c(CNC2(c3ccc(F)cc3)CCC2)ccnc1F ZINC000862274311 1123796972 /nfs/dbraw/zinc/79/69/72/1123796972.db2.gz IZSTVQXINQFNBT-UHFFFAOYSA-N 0 1 288.341 3.837 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1ccc2c(c1)OCO2 ZINC000315407919 1129146211 /nfs/dbraw/zinc/14/62/11/1129146211.db2.gz HBYGKCUBGROTCV-CYBMUJFWSA-N 0 1 299.370 3.583 20 0 CHADMN CC[C@@H](NCc1ccnc(F)c1C)c1ccccc1F ZINC000862402996 1123806785 /nfs/dbraw/zinc/80/67/85/1123806785.db2.gz UXJGJIFOGPCCEP-OAHLLOKOSA-N 0 1 276.330 3.909 20 0 CHADMN Cc1c(CN[C@]2(c3ccccc3)CC2(C)C)ccnc1F ZINC000862420794 1123808499 /nfs/dbraw/zinc/80/84/99/1123808499.db2.gz WKUSFOHAUJOXIR-SFHVURJKSA-N 0 1 284.378 3.944 20 0 CHADMN CC[C@H]1CCCC[C@H]1C[NH2+]C(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000862432480 1123809169 /nfs/dbraw/zinc/80/91/69/1123809169.db2.gz FNYVUJUVJGIPMG-KBPBESRZSA-N 0 1 291.439 3.532 20 0 CHADMN c1csc(CC2CN(Cc3cnc4ccccc4c3)C2)c1 ZINC000862538074 1123816390 /nfs/dbraw/zinc/81/63/90/1123816390.db2.gz MEXQHZLJOVAHFO-UHFFFAOYSA-N 0 1 294.423 3.971 20 0 CHADMN CC(C)(C)[C@@H]1CN(Cc2ccc(C(F)F)cc2)CCO1 ZINC000475192088 1123817223 /nfs/dbraw/zinc/81/72/23/1123817223.db2.gz QEVUQJFOMWAKAY-AWEZNQCLSA-N 0 1 283.362 3.871 20 0 CHADMN CO[C@@]1(C)CCCN(Cc2cc(C)ccc2OC(F)F)C1 ZINC000475285456 1123833733 /nfs/dbraw/zinc/83/37/33/1123833733.db2.gz MDKCUGGXHBVBNF-INIZCTEOSA-N 0 1 299.361 3.597 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000475313481 1123838484 /nfs/dbraw/zinc/83/84/84/1123838484.db2.gz OEGGAKUPDOVHDV-YPMHNXCESA-N 0 1 271.364 3.718 20 0 CHADMN CC(C)C[C@H](C[N@@H+](C)Cc1ccnn1C)c1ccccc1 ZINC000475332557 1123841882 /nfs/dbraw/zinc/84/18/82/1123841882.db2.gz KRXDFONQQYZZOC-QGZVFWFLSA-N 0 1 285.435 3.682 20 0 CHADMN Cc1cc(CN[C@@H](C)c2csc3ccccc32)ncn1 ZINC000794487975 1123847157 /nfs/dbraw/zinc/84/71/57/1123847157.db2.gz ODHQYRNXSXDHLO-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN CCC[C@H](NCc1cccc(NC(C)=O)c1)c1ccccn1 ZINC000158637479 1129149287 /nfs/dbraw/zinc/14/92/87/1129149287.db2.gz ZLZBCWIHGMJTIR-KRWDZBQOSA-N 0 1 297.402 3.671 20 0 CHADMN CN(Cc1ncc(-c2cccc(F)c2)o1)CC(C)(C)C ZINC000475355989 1123848850 /nfs/dbraw/zinc/84/88/50/1123848850.db2.gz RRPBVTJWXXJLAK-UHFFFAOYSA-N 0 1 276.355 3.959 20 0 CHADMN O=C(CN1CCC[C@H]2CCC[C@@H]21)Nc1ccc(Cl)cc1 ZINC000475357278 1123849006 /nfs/dbraw/zinc/84/90/06/1123849006.db2.gz QHMPXLCDBKRBLP-DOMZBBRYSA-N 0 1 292.810 3.543 20 0 CHADMN O=C(CN1CCC[C@@H]2CCC[C@H]21)Nc1ccc(Cl)cc1 ZINC000475357280 1123849289 /nfs/dbraw/zinc/84/92/89/1123849289.db2.gz QHMPXLCDBKRBLP-SWLSCSKDSA-N 0 1 292.810 3.543 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1C[C@H](C)[C@H](C)C1 ZINC000475368797 1123852568 /nfs/dbraw/zinc/85/25/68/1123852568.db2.gz FWXXIJQSJGNZKM-TUAOUCFPSA-N 0 1 250.386 3.621 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCSC(C)C)n2)cc1 ZINC000863257643 1123856530 /nfs/dbraw/zinc/85/65/30/1123856530.db2.gz YBOBFAMHBCVTJR-UHFFFAOYSA-N 0 1 279.434 3.971 20 0 CHADMN CCC[C@@H](NCc1ccc(OC(C)C)nc1)c1ccccn1 ZINC000158667143 1129149890 /nfs/dbraw/zinc/14/98/90/1129149890.db2.gz FVLXARFVKNAFDA-MRXNPFEDSA-N 0 1 299.418 3.895 20 0 CHADMN Cc1ccc(CN[C@@H](CC(C)C)c2ccccc2)nn1 ZINC000396558996 1123863812 /nfs/dbraw/zinc/86/38/12/1123863812.db2.gz SAHFFBSWMYVUFY-KRWDZBQOSA-N 0 1 269.392 3.662 20 0 CHADMN Cc1ccc(F)c(CNc2nccn2Cc2ccccc2)c1 ZINC000508475792 1123864829 /nfs/dbraw/zinc/86/48/29/1123864829.db2.gz XRDSQXYNMQDRCG-UHFFFAOYSA-N 0 1 295.361 3.991 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@@H]2CC[C@@H](c3ccccc3)C2)n1 ZINC000863655425 1123885278 /nfs/dbraw/zinc/88/52/78/1123885278.db2.gz CPDZFPKWOKZGBP-RBSFLKMASA-N 0 1 285.391 3.777 20 0 CHADMN CCc1ncc(CN[C@H]2CCc3c2cccc3F)s1 ZINC000084018433 1129152612 /nfs/dbraw/zinc/15/26/12/1129152612.db2.gz HIQKDZOVZDXVRL-AWEZNQCLSA-N 0 1 276.380 3.622 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1cncc(Cl)c1 ZINC000621244585 1129152607 /nfs/dbraw/zinc/15/26/07/1129152607.db2.gz RQURNBKCPFQKMA-GFCCVEGCSA-N 0 1 260.768 3.928 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cc(C(F)F)ccc2F)n1 ZINC000621246098 1129152620 /nfs/dbraw/zinc/15/26/20/1129152620.db2.gz LJCQNQSNFDMUKY-LLVKDONJSA-N 0 1 299.296 3.859 20 0 CHADMN C[C@@]1(CNc2ccnc3cc(F)ccc32)CCCC[C@H]1O ZINC000301474327 1123902996 /nfs/dbraw/zinc/90/29/96/1123902996.db2.gz AAHXGBXFEINMRA-SJORKVTESA-N 0 1 288.366 3.727 20 0 CHADMN C[C@@H]1CC2(CCC2)C[N@H+]1Cc1occc1Br ZINC000763649512 1129158297 /nfs/dbraw/zinc/15/82/97/1129158297.db2.gz VYMSWEBELGBVNV-SNVBAGLBSA-N 0 1 284.197 3.807 20 0 CHADMN C[C@@H]1CC2(CCC2)CN1Cc1occc1Br ZINC000763649512 1129158301 /nfs/dbraw/zinc/15/83/01/1129158301.db2.gz VYMSWEBELGBVNV-SNVBAGLBSA-N 0 1 284.197 3.807 20 0 CHADMN C[C@H](NCc1cccc(N(C)C)c1)c1cccnc1Cl ZINC000119861393 1123917502 /nfs/dbraw/zinc/91/75/02/1123917502.db2.gz LUGCBJOOAZIUOH-LBPRGKRZSA-N 0 1 289.810 3.652 20 0 CHADMN Cc1nc2ccccc2n1CCCNc1cc(C)ccn1 ZINC000301660554 1123921277 /nfs/dbraw/zinc/92/12/77/1123921277.db2.gz XDZUNKDGFWTBFT-UHFFFAOYSA-N 0 1 280.375 3.550 20 0 CHADMN CC(C)CO[C@H]1CCN(c2ccnc3cc(F)ccc32)C1 ZINC000301664187 1123922235 /nfs/dbraw/zinc/92/22/35/1123922235.db2.gz ZAZRAVXXKYMJIP-AWEZNQCLSA-N 0 1 288.366 3.625 20 0 CHADMN CC(C)c1nnc(CN(CC(C)(C)C)CC(C)(C)C)[nH]1 ZINC000428345546 1123931909 /nfs/dbraw/zinc/93/19/09/1123931909.db2.gz IWPHCRJKMVMKBF-UHFFFAOYSA-N 0 1 280.460 3.822 20 0 CHADMN FC(F)(F)c1ccc2c(c1)nccc2NC[C@H]1CCCO1 ZINC000301811803 1123934771 /nfs/dbraw/zinc/93/47/71/1123934771.db2.gz YBFANFKEBDJUAE-LLVKDONJSA-N 0 1 296.292 3.845 20 0 CHADMN FC(F)(F)Cc1ccccc1CNc1nccn1C1CC1 ZINC000865293861 1123970466 /nfs/dbraw/zinc/97/04/66/1123970466.db2.gz ZPMMAONTUMQJIL-UHFFFAOYSA-N 0 1 295.308 3.935 20 0 CHADMN Fc1cc(CN[C@@H]2CCc3ccccc32)cnc1Cl ZINC000865404608 1123981209 /nfs/dbraw/zinc/98/12/09/1123981209.db2.gz LWFLUZAGAWZZFA-CQSZACIVSA-N 0 1 276.742 3.651 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2CCc3c2nccc3Cl)s1 ZINC000925146175 1123983512 /nfs/dbraw/zinc/98/35/12/1123983512.db2.gz CYVHMEMWSQHOTI-GFCCVEGCSA-N 0 1 293.823 3.585 20 0 CHADMN Cc1noc(C)c1CNCc1cccc(OC(C)(C)C)c1 ZINC000865430896 1123984237 /nfs/dbraw/zinc/98/42/37/1123984237.db2.gz UKAFMTQRJLKFBT-UHFFFAOYSA-N 0 1 288.391 3.759 20 0 CHADMN Cc1cc(C)cc([C@H](C)NCc2cn(C3CC3)cn2)c1 ZINC000865455813 1123986025 /nfs/dbraw/zinc/98/60/25/1123986025.db2.gz BWEYSSXNVOQGDG-AWEZNQCLSA-N 0 1 269.392 3.686 20 0 CHADMN CC[C@@](C)(NCc1cn(C2CC2)cn1)c1ccccc1 ZINC000865456036 1123986207 /nfs/dbraw/zinc/98/62/07/1123986207.db2.gz IPHGOXPRGDIZHS-QGZVFWFLSA-N 0 1 269.392 3.633 20 0 CHADMN Cc1ccccc1[C@H](NCc1cn(C2CC2)cn1)C1CC1 ZINC000865459325 1123986445 /nfs/dbraw/zinc/98/64/45/1123986445.db2.gz DCCZZWNYSRVETN-GOSISDBHSA-N 0 1 281.403 3.767 20 0 CHADMN Cc1cccc2c1CC[C@@H]2NCc1cnc(Cl)c(F)c1 ZINC000865452407 1123986554 /nfs/dbraw/zinc/98/65/54/1123986554.db2.gz HKJINXZTEDBHKS-HNNXBMFYSA-N 0 1 290.769 3.960 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cncc(Cl)c1 ZINC000621273051 1129159150 /nfs/dbraw/zinc/15/91/50/1129159150.db2.gz LKZVKGHTYXRCRR-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1cncc(CNCc2cccc(OC(C)(C)C)c2)c1 ZINC000865513361 1123991726 /nfs/dbraw/zinc/99/17/26/1123991726.db2.gz WACOCNFAHFYLHZ-UHFFFAOYSA-N 0 1 284.403 3.857 20 0 CHADMN CCSCCCNCc1c(Cl)cncc1Cl ZINC000865555002 1123994285 /nfs/dbraw/zinc/99/42/85/1123994285.db2.gz POOISQQNELQEEX-UHFFFAOYSA-N 0 1 279.236 3.621 20 0 CHADMN CCc1noc(C)c1CNCc1cccc(Cl)c1C ZINC000865579171 1123996733 /nfs/dbraw/zinc/99/67/33/1123996733.db2.gz NGTDYIZDXKBKTA-UHFFFAOYSA-N 0 1 278.783 3.797 20 0 CHADMN Cc1cc(C)cc(CNCc2cnc(Cl)c(F)c2)c1 ZINC000865624965 1124000300 /nfs/dbraw/zinc/00/03/00/1124000300.db2.gz CWISNUQGPLLRBB-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN CCOc1cc(F)cc(CN[C@@H](C)c2ccns2)c1 ZINC000865644950 1124002237 /nfs/dbraw/zinc/00/22/37/1124002237.db2.gz KQUXUIXKNGKVEE-JTQLQIEISA-N 0 1 280.368 3.532 20 0 CHADMN CC[C@](C)(NCc1cn(C2CC2)cn1)c1ccc(F)cc1 ZINC000865660127 1124003179 /nfs/dbraw/zinc/00/31/79/1124003179.db2.gz JBUFLFFLKFDGGG-KRWDZBQOSA-N 0 1 287.382 3.772 20 0 CHADMN Cn1ccc2c1nccc2N[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC001168069820 1124004757 /nfs/dbraw/zinc/00/47/57/1124004757.db2.gz KLAAPGBPCGNATA-BLLLJJGKSA-N 0 1 299.324 3.820 20 0 CHADMN Cc1cc(CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)ccn1 ZINC000621276104 1129160333 /nfs/dbraw/zinc/16/03/33/1129160333.db2.gz UOUCYCFTJTWGOT-AAEUAGOBSA-N 0 1 272.314 3.553 20 0 CHADMN Fc1cc(CNCc2ccc(C(F)(F)F)s2)ccn1 ZINC000865722790 1124008217 /nfs/dbraw/zinc/00/82/17/1124008217.db2.gz QETGCHPQAOBKRB-UHFFFAOYSA-N 0 1 290.285 3.591 20 0 CHADMN COc1ccc2c(c1)C[N@@H+]([C@@H](C)c1ccccc1)CC2 ZINC000261394289 1124009755 /nfs/dbraw/zinc/00/97/55/1124009755.db2.gz TVZGHQDNSSNXAR-AWEZNQCLSA-N 0 1 267.372 3.815 20 0 CHADMN CC(C)(C)c1cnc(CNC(C)(C)[C@H]2CCCCO2)s1 ZINC000865744354 1124009923 /nfs/dbraw/zinc/00/99/23/1124009923.db2.gz UETAVMPFXSGAFA-GFCCVEGCSA-N 0 1 296.480 3.878 20 0 CHADMN CCC(CC)(CNCc1cscn1)C(F)(F)F ZINC000865757429 1124011803 /nfs/dbraw/zinc/01/18/03/1124011803.db2.gz RCNWOVSGFHTJKV-UHFFFAOYSA-N 0 1 266.332 3.601 20 0 CHADMN CCc1ccc(CNCc2noc3ccc(F)cc32)s1 ZINC000865760270 1124011897 /nfs/dbraw/zinc/01/18/97/1124011897.db2.gz DZUCWMYKICBOLE-UHFFFAOYSA-N 0 1 290.363 3.881 20 0 CHADMN CCC1CCN(Cc2nc3ccc(OC)cc3s2)CC1 ZINC000475566918 1124014156 /nfs/dbraw/zinc/01/41/56/1124014156.db2.gz JMOYVELHSQSSSA-UHFFFAOYSA-N 0 1 290.432 3.927 20 0 CHADMN COc1ccccc1[C@H](C)NCc1cnc2cccc(C)n12 ZINC000865821673 1124017536 /nfs/dbraw/zinc/01/75/36/1124017536.db2.gz MPSATGUNVYHZES-AWEZNQCLSA-N 0 1 295.386 3.502 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cnc(C2CC2)s1 ZINC000865821375 1124017923 /nfs/dbraw/zinc/01/79/23/1124017923.db2.gz SXNLHECKQJKSKH-LLVKDONJSA-N 0 1 288.416 3.880 20 0 CHADMN Cc1[nH]ncc1CNc1ccc(F)cc1C(C)(F)F ZINC000865828376 1124018566 /nfs/dbraw/zinc/01/85/66/1124018566.db2.gz QJCAZVGAEGUJLD-UHFFFAOYSA-N 0 1 269.270 3.581 20 0 CHADMN C[C@H](C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1)C1CC1 ZINC000475588676 1124022165 /nfs/dbraw/zinc/02/21/65/1124022165.db2.gz IYDPQDRYLXXDKM-JTQLQIEISA-N 0 1 285.391 3.845 20 0 CHADMN [O-]c1cccc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)c1Cl ZINC000865856102 1124022605 /nfs/dbraw/zinc/02/26/05/1124022605.db2.gz FKEKJJLPPLUNNN-AWEZNQCLSA-N 0 1 295.810 3.627 20 0 CHADMN C[C@@H]1CC2(CCC2)CN1Cc1c(Cl)nc2ccccn21 ZINC000763650797 1129161375 /nfs/dbraw/zinc/16/13/75/1129161375.db2.gz ZUJJEKKHJSZEQA-GFCCVEGCSA-N 0 1 289.810 3.752 20 0 CHADMN FC(F)(F)c1cnccc1N1CCCC(F)(F)CC1 ZINC000865966941 1124026811 /nfs/dbraw/zinc/02/68/11/1124026811.db2.gz KODJRKBGFJJTPJ-UHFFFAOYSA-N 0 1 280.240 3.726 20 0 CHADMN Clc1cncc(CN2CCC[C@@H](c3ccncc3)C2)c1 ZINC000621294902 1129162016 /nfs/dbraw/zinc/16/20/16/1129162016.db2.gz RTWQYJBBSKHAMN-OAHLLOKOSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1cccc(Cl)c1CN1CC(c2cccnc2)C1 ZINC001138721777 1129162288 /nfs/dbraw/zinc/16/22/88/1129162288.db2.gz JRLRDFVUBTUMGE-UHFFFAOYSA-N 0 1 272.779 3.643 20 0 CHADMN CC(F)(F)c1cccc(NC(=O)c2ccc(F)cc2O)c1 ZINC000444484874 1124039748 /nfs/dbraw/zinc/03/97/48/1124039748.db2.gz OQRSXRXCTCBQCZ-UHFFFAOYSA-N 0 1 295.260 3.895 20 0 CHADMN C[C@H]1CCc2ccccc2[C@H]1NCc1ccncc1F ZINC000336222325 1124043889 /nfs/dbraw/zinc/04/38/89/1124043889.db2.gz WLSLTVHVFSUPQN-SJCJKPOMSA-N 0 1 270.351 3.634 20 0 CHADMN CCc1cc(CN[C@H]2c3cc(F)ccc3CC[C@@H]2C)on1 ZINC000866271469 1124045368 /nfs/dbraw/zinc/04/53/68/1124045368.db2.gz LTOZKUQULGGOOI-APPDUMDISA-N 0 1 288.366 3.789 20 0 CHADMN COC[C@H]1CCN(Cc2nc(C3CCCCC3)cs2)C1 ZINC000444649170 1124047789 /nfs/dbraw/zinc/04/77/89/1124047789.db2.gz IYCPPMKRJIDAGR-ZDUSSCGKSA-N 0 1 294.464 3.659 20 0 CHADMN C[C@@H](N[C@H](C)c1cc2c(ccnc2Cl)o1)c1cn[nH]c1 ZINC000866310064 1124049806 /nfs/dbraw/zinc/04/98/06/1124049806.db2.gz CKGFYBBGVVWUGU-RKDXNWHRSA-N 0 1 290.754 3.616 20 0 CHADMN F[C@H]1COc2ccccc2[C@H]1NC1CCC(F)(F)CC1 ZINC000866313133 1124050880 /nfs/dbraw/zinc/05/08/80/1124050880.db2.gz WUQHKQXYLTXCDX-GXTWGEPZSA-N 0 1 285.309 3.626 20 0 CHADMN CCOc1cncc(CN[C@H](C)c2cccc(Cl)c2)c1 ZINC000621325532 1129163119 /nfs/dbraw/zinc/16/31/19/1129163119.db2.gz ALYBHIPSQACUMK-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN COC(C)(C)CCN(C)Cc1cc(Cl)ccc1F ZINC000444705966 1124055476 /nfs/dbraw/zinc/05/54/76/1124055476.db2.gz LYAJPVDQWSHXDS-UHFFFAOYSA-N 0 1 273.779 3.726 20 0 CHADMN CCCc1nc(C)c(CN2CCC[C@H]2c2cccn2C)o1 ZINC000428375473 1124055992 /nfs/dbraw/zinc/05/59/92/1124055992.db2.gz CQZVMFYLHVLVMH-HNNXBMFYSA-N 0 1 287.407 3.611 20 0 CHADMN C[C@H](CN[C@H]1c2ccccc2OC[C@@H]1F)CC(F)(F)F ZINC000866374667 1124059010 /nfs/dbraw/zinc/05/90/10/1124059010.db2.gz FTYPETBHQAXUNL-GAFUQQFSSA-N 0 1 291.288 3.636 20 0 CHADMN CC[C@H](NCc1cnn2ccccc12)c1ccccc1F ZINC000353912936 1124059947 /nfs/dbraw/zinc/05/99/47/1124059947.db2.gz FSZYMTCIDPYNDQ-INIZCTEOSA-N 0 1 283.350 3.714 20 0 CHADMN CC(C)[C@@H]1CCCN([C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000444768675 1124061053 /nfs/dbraw/zinc/06/10/53/1124061053.db2.gz FRUFNOZYECEOLP-CHWSQXEVSA-N 0 1 279.428 3.796 20 0 CHADMN c1sc(Nc2ccccc2)nc1CN1CCCC12CCC2 ZINC000444776880 1124062897 /nfs/dbraw/zinc/06/28/97/1124062897.db2.gz DCTBXITWXDPBJV-UHFFFAOYSA-N 0 1 299.443 3.827 20 0 CHADMN Cc1ccc(NC(=O)CN2CCCC23CCC3)cc1Cl ZINC000444778646 1124063996 /nfs/dbraw/zinc/06/39/96/1124063996.db2.gz WYBWKFNFNOGHRD-UHFFFAOYSA-N 0 1 292.810 3.605 20 0 CHADMN c1csc(-c2cnc(CN3CCCC34CCC4)o2)c1 ZINC000444794321 1124065496 /nfs/dbraw/zinc/06/54/96/1124065496.db2.gz VFFADOOVFXBMFI-UHFFFAOYSA-N 0 1 274.389 3.922 20 0 CHADMN CCC[C@H](NCc1ccnc(F)c1)c1cc(C)ccn1 ZINC000866475456 1124069786 /nfs/dbraw/zinc/06/97/86/1124069786.db2.gz ZNVTVQZBHHBKMM-AWEZNQCLSA-N 0 1 273.355 3.555 20 0 CHADMN Cc1ccccc1N(Cc1n[nH]c(C(C)C)n1)C(C)C ZINC000428386107 1124072862 /nfs/dbraw/zinc/07/28/62/1124072862.db2.gz WDMJFGLDDAUXPI-UHFFFAOYSA-N 0 1 272.396 3.652 20 0 CHADMN C[C@@H](CSC(C)(C)C)NCc1noc2ccc(F)cc12 ZINC000866510382 1124075646 /nfs/dbraw/zinc/07/56/46/1124075646.db2.gz BMCOCTRVKDNFLE-JTQLQIEISA-N 0 1 296.411 3.977 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@H]2C[C@H]21)c1noc(-c2ccccc2)n1 ZINC000367194619 1124076332 /nfs/dbraw/zinc/07/63/32/1124076332.db2.gz ZWQNDQMFBQMRKO-FAAHXZRKSA-N 0 1 283.375 3.576 20 0 CHADMN c1c[nH]c([C@H](NCCCCC2CC2)c2ccccc2)n1 ZINC000866541991 1124081205 /nfs/dbraw/zinc/08/12/05/1124081205.db2.gz VLOZWWJFLIOUBN-MRXNPFEDSA-N 0 1 269.392 3.669 20 0 CHADMN Fc1ccc2oc(CNCC3=CCCCC3)nc2c1 ZINC000634982248 1129168400 /nfs/dbraw/zinc/16/84/00/1129168400.db2.gz GRRZWGQXKBSXBQ-UHFFFAOYSA-N 0 1 260.312 3.557 20 0 CHADMN CC(C)[C@H](NCc1nn(C)cc1C(F)F)c1ccccc1 ZINC000866567580 1124084166 /nfs/dbraw/zinc/08/41/66/1124084166.db2.gz RGKYBVGHTKYYDY-HNNXBMFYSA-N 0 1 293.361 3.845 20 0 CHADMN Fc1cc(C2CC2)ccc1N[C@@H]1CCCc2[nH]ncc21 ZINC000866610345 1124087879 /nfs/dbraw/zinc/08/78/79/1124087879.db2.gz ZSTWOBCKSIQVFM-CQSZACIVSA-N 0 1 271.339 3.916 20 0 CHADMN Cc1ccc2cc([C@H](C)N[C@@H](C)c3ccnn3C)oc2c1 ZINC000866613086 1124088110 /nfs/dbraw/zinc/08/81/10/1124088110.db2.gz FOMBPKBWQUYHOE-STQMWFEESA-N 0 1 283.375 3.887 20 0 CHADMN c1nc2c(s1)CCC[C@H]2NC1([C@H]2CCCCO2)CCC1 ZINC000866623545 1124091344 /nfs/dbraw/zinc/09/13/44/1124091344.db2.gz RRMFUSIMXJZUKG-TZMCWYRMSA-N 0 1 292.448 3.602 20 0 CHADMN Cc1nccc(N2CCC(c3ccncc3)CC2)c1Cl ZINC000543726357 1124092855 /nfs/dbraw/zinc/09/28/55/1124092855.db2.gz ZXLVDAOKZYBGGC-UHFFFAOYSA-N 0 1 287.794 3.822 20 0 CHADMN CCc1ccccc1CN1CCO[C@H](c2ccccc2)C1 ZINC000445800151 1124101288 /nfs/dbraw/zinc/10/12/88/1124101288.db2.gz UNBNQIUASORVOE-IBGZPJMESA-N 0 1 281.399 3.823 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC[C@@]3(CCCOC3)C2)c1 ZINC000445807666 1124102177 /nfs/dbraw/zinc/10/21/77/1124102177.db2.gz LNNJRMPAPZKRNM-MRXNPFEDSA-N 0 1 297.801 3.872 20 0 CHADMN C[C@@H](N(C)Cc1ccn(-c2ccccc2F)n1)C1(C)CC1 ZINC000445818592 1124103005 /nfs/dbraw/zinc/10/30/05/1124103005.db2.gz LGYRFFFHHZEXFQ-CYBMUJFWSA-N 0 1 287.382 3.632 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN1CCCCC(C)(C)C1 ZINC000446062650 1124108442 /nfs/dbraw/zinc/10/84/42/1124108442.db2.gz UWSWKTAOCICYCI-UHFFFAOYSA-N 0 1 288.435 3.754 20 0 CHADMN CCCn1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000446140360 1124110260 /nfs/dbraw/zinc/11/02/60/1124110260.db2.gz RBRDBZLSLAWAEA-UHFFFAOYSA-N 0 1 294.280 3.855 20 0 CHADMN c1nc(C2CC2)c(CN2CC3(C2)CCCCC3)s1 ZINC000459600298 1124111891 /nfs/dbraw/zinc/11/18/91/1124111891.db2.gz SKNDLRGNIDTIMH-UHFFFAOYSA-N 0 1 262.422 3.787 20 0 CHADMN CC[C@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000428435985 1124112013 /nfs/dbraw/zinc/11/20/13/1124112013.db2.gz BTLRWYROJSRQDG-IBGZPJMESA-N 0 1 299.389 3.840 20 0 CHADMN Clc1ccc(CC2(NCc3ccon3)CCC2)cc1 ZINC000634981789 1129168456 /nfs/dbraw/zinc/16/84/56/1129168456.db2.gz SEHIYPOQTIHEPR-UHFFFAOYSA-N 0 1 276.767 3.583 20 0 CHADMN CCN(Cc1n[nH]c(C(C)C)n1)[C@H](C)c1ccc(F)cc1 ZINC000428450415 1124117563 /nfs/dbraw/zinc/11/75/63/1124117563.db2.gz ZQZSYEBINXCVNT-GFCCVEGCSA-N 0 1 290.386 3.650 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCC[C@@H](C)C3)n2)cc1 ZINC000525241317 1124119421 /nfs/dbraw/zinc/11/94/21/1124119421.db2.gz QTLZFTWQNWMGDO-TZMCWYRMSA-N 0 1 298.390 3.545 20 0 CHADMN C[C@@]1(c2ccccc2)CCN(Cc2cn3ccsc3n2)C1 ZINC000446722960 1124120178 /nfs/dbraw/zinc/12/01/78/1124120178.db2.gz LKLSYTCZBXYFSU-QGZVFWFLSA-N 0 1 297.427 3.559 20 0 CHADMN CCC(CC)n1ccc(CN(CC(C)C)C2CC2)n1 ZINC000446768802 1124121523 /nfs/dbraw/zinc/12/15/23/1124121523.db2.gz OACMCEZVXDCKGF-UHFFFAOYSA-N 0 1 263.429 3.865 20 0 CHADMN CCC[C@@H](NCc1ccc2nccnc2c1)c1ccccn1 ZINC000634959681 1129167461 /nfs/dbraw/zinc/16/74/61/1129167461.db2.gz YPEYLBFOBSIRHB-OAHLLOKOSA-N 0 1 292.386 3.656 20 0 CHADMN CCc1ccc(-c2noc(CN3C[C@@H](C)C[C@@H]3C)n2)cc1 ZINC000525407719 1124127079 /nfs/dbraw/zinc/12/70/79/1124127079.db2.gz GTYKGDMPJHYBAM-STQMWFEESA-N 0 1 285.391 3.529 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1cccc(F)c1)c1cccc(F)c1 ZINC000446926610 1124128897 /nfs/dbraw/zinc/12/88/97/1124128897.db2.gz ZJLJCFOEBVZZQH-SJORKVTESA-N 0 1 291.341 3.739 20 0 CHADMN Cc1nc(CN(C)C[C@@H]2CC(C)=C[C@@H](C)C2)cs1 ZINC000428462475 1124129666 /nfs/dbraw/zinc/12/96/66/1124129666.db2.gz UHGGZJLLYXROCF-RISCZKNCSA-N 0 1 264.438 3.876 20 0 CHADMN CCOc1ccc(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000367370183 1124134307 /nfs/dbraw/zinc/13/43/07/1124134307.db2.gz BRQFREQHRURTNB-KRWDZBQOSA-N 0 1 299.418 3.762 20 0 CHADMN Cc1ccc(CN(C)C[C@H]2CCCCO2)c(Cl)c1 ZINC000447156617 1124134862 /nfs/dbraw/zinc/13/48/62/1124134862.db2.gz AHYJWJKWRRQWPN-CQSZACIVSA-N 0 1 267.800 3.649 20 0 CHADMN O=C(N[C@@H](c1cccs1)C1CC1)c1n[nH]c2ccccc21 ZINC000635015819 1129170189 /nfs/dbraw/zinc/17/01/89/1129170189.db2.gz RZHBRZYUDAOBNH-CQSZACIVSA-N 0 1 297.383 3.506 20 0 CHADMN Cc1coc(CNCc2cccc(C(F)(F)F)c2)c1 ZINC000718095155 1129171289 /nfs/dbraw/zinc/17/12/89/1129171289.db2.gz UAZFTZZCBWQISH-UHFFFAOYSA-N 0 1 269.266 3.897 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001238781254 1131246014 /nfs/dbraw/zinc/24/60/14/1131246014.db2.gz OOLXSOMSIGLALJ-INIZCTEOSA-N 0 1 297.801 3.790 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CCC[C@]2(CCOC2)C1 ZINC001238781254 1131246017 /nfs/dbraw/zinc/24/60/17/1131246017.db2.gz OOLXSOMSIGLALJ-INIZCTEOSA-N 0 1 297.801 3.790 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@@](C)(O)[C@H](C)C1 ZINC001238781927 1131246980 /nfs/dbraw/zinc/24/69/80/1131246980.db2.gz XFEGUFCXWHJENH-MLGOLLRUSA-N 0 1 299.817 3.770 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1C2CCC1CC2 ZINC001238784217 1131247287 /nfs/dbraw/zinc/24/72/87/1131247287.db2.gz FPAAQDREZMODQU-UHFFFAOYSA-N 0 1 253.748 3.914 20 0 CHADMN CCCO[C@H]1CCN(Cc2c(C)cc(F)cc2Cl)C1 ZINC001238785402 1131247534 /nfs/dbraw/zinc/24/75/34/1131247534.db2.gz PTXOMURDVCPGTO-ZDUSSCGKSA-N 0 1 285.790 3.788 20 0 CHADMN O=c1cc(C2CCC2)[nH]n1-c1ccc(C(F)(F)F)cc1 ZINC001245924904 1131247698 /nfs/dbraw/zinc/24/76/98/1131247698.db2.gz GRYIOSSEIDEEEH-UHFFFAOYSA-N 0 1 282.265 3.864 20 0 CHADMN CCO[C@H]1CCCN(Cc2c(C)cc(F)cc2Cl)C1 ZINC001238785829 1131247744 /nfs/dbraw/zinc/24/77/44/1131247744.db2.gz ULXXBKNHMJHLFM-ZDUSSCGKSA-N 0 1 285.790 3.788 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CC2CC(C2)C1 ZINC001238787564 1131248037 /nfs/dbraw/zinc/24/80/37/1131248037.db2.gz JECQVJHYAZNLAV-UHFFFAOYSA-N 0 1 253.748 3.629 20 0 CHADMN CC(C)Oc1cc(CN2CCC(C)(C)CC2)c(F)cn1 ZINC001238804173 1131249374 /nfs/dbraw/zinc/24/93/74/1131249374.db2.gz MPTWAXHRGLMWFR-UHFFFAOYSA-N 0 1 280.387 3.630 20 0 CHADMN CC(C)Cn1[nH]c(CCC2CCCCC2)cc1=O ZINC001245942588 1131255778 /nfs/dbraw/zinc/25/57/78/1131255778.db2.gz LEXSRGGUZJQSIK-UHFFFAOYSA-N 0 1 250.386 3.758 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc(C2CC2)nc1 ZINC001238854309 1131257936 /nfs/dbraw/zinc/25/79/36/1131257936.db2.gz AUXMDZUXHSYFHF-UHFFFAOYSA-N 0 1 265.316 3.511 20 0 CHADMN CC(C)[C@H](C)N(C)Cc1nc(C(C)(C)C)cs1 ZINC000447375356 1124467899 /nfs/dbraw/zinc/46/78/99/1124467899.db2.gz SJOZWYPKUFKJIM-NSHDSACASA-N 0 1 254.443 3.917 20 0 CHADMN COc1cc(OC)cc([C@H](C)Nc2ccc3nc[nH]c3c2)c1 ZINC001170935742 1131259497 /nfs/dbraw/zinc/25/94/97/1131259497.db2.gz GPFWKUNKHCZHJF-NSHDSACASA-N 0 1 297.358 3.753 20 0 CHADMN Cc1ccc2nc(SC[C@H]3CCO[C@H](C)C3)[nH]c2c1 ZINC000447305925 1124464332 /nfs/dbraw/zinc/46/43/32/1124464332.db2.gz NTNUOZTYVZZFCP-NEPJUHHUSA-N 0 1 276.405 3.779 20 0 CHADMN CSCSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000145006277 1124468068 /nfs/dbraw/zinc/46/80/68/1124468068.db2.gz NORPOIXQUJLLJF-UHFFFAOYSA-N 0 1 264.419 3.722 20 0 CHADMN Cc1oncc1CN(C)[C@@H](C)c1ccc(C)cc1C ZINC000525833430 1124469306 /nfs/dbraw/zinc/46/93/06/1124469306.db2.gz UGLKSXRTZFJGDZ-ZDUSSCGKSA-N 0 1 258.365 3.793 20 0 CHADMN CN(C/C=C\c1ccc(Cl)cc1)Cc1cccnc1 ZINC000526056990 1124503614 /nfs/dbraw/zinc/50/36/14/1124503614.db2.gz NKGGXTKDLGEBIX-HYXAFXHYSA-N 0 1 272.779 3.880 20 0 CHADMN CCCCc1nc(CN2CCCC[C@H]2C[C@H](C)O)cs1 ZINC000447846465 1124530567 /nfs/dbraw/zinc/53/05/67/1124530567.db2.gz WPIIRRDZTGOQCR-ZFWWWQNUSA-N 0 1 296.480 3.611 20 0 CHADMN FC1(CN2CCC[C@@H]2Cc2ccccc2Cl)CC1 ZINC000526969264 1124535103 /nfs/dbraw/zinc/53/51/03/1124535103.db2.gz CNCPLXMYYFFYOK-CYBMUJFWSA-N 0 1 267.775 3.849 20 0 CHADMN COc1ccc([C@H](C)[C@@H](C)Nc2ccc3nn[nH]c3c2)cc1 ZINC000526988837 1124537960 /nfs/dbraw/zinc/53/79/60/1124537960.db2.gz LESJTAFTSZKFPJ-VXGBXAGGSA-N 0 1 296.374 3.571 20 0 CHADMN COc1ccc([C@H](C)[C@@H](C)Nc2ccc3n[nH]nc3c2)cc1 ZINC000526988837 1124537963 /nfs/dbraw/zinc/53/79/63/1124537963.db2.gz LESJTAFTSZKFPJ-VXGBXAGGSA-N 0 1 296.374 3.571 20 0 CHADMN Cc1cccc2nc(C3CCN(CC4(F)CC4)CC3)oc21 ZINC000526985653 1124539422 /nfs/dbraw/zinc/53/94/22/1124539422.db2.gz XLPSQXGLNRTMCV-UHFFFAOYSA-N 0 1 288.366 3.818 20 0 CHADMN Cc1ccc(-c2nc(-c3ccn4cncc4c3)no2)c(C)c1 ZINC000447949686 1124544155 /nfs/dbraw/zinc/54/41/55/1124544155.db2.gz ZPAKWGHDDBVCLY-UHFFFAOYSA-N 0 1 290.326 3.668 20 0 CHADMN CO[C@@H](CNCc1ncc(C(C)(C)C)s1)C(C)(C)C ZINC000447942623 1124544883 /nfs/dbraw/zinc/54/48/83/1124544883.db2.gz IFPHIPCWRKQXNJ-NSHDSACASA-N 0 1 284.469 3.591 20 0 CHADMN CCC[C@@H](O)CN(C)Cc1ccc(Cl)cc1Cl ZINC001252772267 1124572772 /nfs/dbraw/zinc/57/27/72/1124572772.db2.gz RIZZSUNFWIXZOE-GFCCVEGCSA-N 0 1 276.207 3.586 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1cc2c(s1)CCCC2 ZINC000527359179 1124573203 /nfs/dbraw/zinc/57/32/03/1124573203.db2.gz IGCAZALBAWPEHN-GFCCVEGCSA-N 0 1 287.432 3.576 20 0 CHADMN Cc1nc(CN2CC[C@H](CC(C)(C)C)C2)cs1 ZINC000448554329 1124585291 /nfs/dbraw/zinc/58/52/91/1124585291.db2.gz IUCLVKVDRSYGJD-GFCCVEGCSA-N 0 1 252.427 3.710 20 0 CHADMN O=C(Cc1csc2ccccc12)NOc1ccccc1 ZINC000820048615 1131274683 /nfs/dbraw/zinc/27/46/83/1131274683.db2.gz ARLOZQLXVSXAQR-UHFFFAOYSA-N 0 1 283.352 3.554 20 0 CHADMN Cc1nc2ccc(NC(=O)C(C)(C)C3CCC3)cc2[nH]1 ZINC000448623924 1124599768 /nfs/dbraw/zinc/59/97/68/1124599768.db2.gz FSYMJWASXRGQQX-UHFFFAOYSA-N 0 1 271.364 3.636 20 0 CHADMN COc1cccc(F)c1CN[C@H]1CCc2ccccc21 ZINC001120244343 1131272511 /nfs/dbraw/zinc/27/25/11/1131272511.db2.gz PVPHWUSQVNINBL-INIZCTEOSA-N 0 1 271.335 3.611 20 0 CHADMN CC[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(C)=O ZINC000871638226 1124621195 /nfs/dbraw/zinc/62/11/95/1124621195.db2.gz VNRVKFSALRFPAX-NSHDSACASA-N 0 1 295.795 3.585 20 0 CHADMN C[C@@H]1c2cccn2CCN1Cc1cccc2ccoc21 ZINC000449003804 1124631940 /nfs/dbraw/zinc/63/19/40/1124631940.db2.gz SWNZGWTWCOQUBT-CYBMUJFWSA-N 0 1 266.344 3.811 20 0 CHADMN c1cc(CN2CC[C@H]2Cc2ccccc2)n(C2CCCC2)n1 ZINC000449027528 1124634285 /nfs/dbraw/zinc/63/42/85/1124634285.db2.gz IXAVIHWAEMIQBB-SFHVURJKSA-N 0 1 295.430 3.815 20 0 CHADMN COc1nccc(C[N@H+]2CCCC[C@H]2c2ccc(C)cc2)n1 ZINC000449035928 1124636834 /nfs/dbraw/zinc/63/68/34/1124636834.db2.gz QPTDHCCCNOJGJZ-KRWDZBQOSA-N 0 1 297.402 3.521 20 0 CHADMN COc1nccc(CN2CCCC[C@H]2c2ccc(C)cc2)n1 ZINC000449035928 1124636840 /nfs/dbraw/zinc/63/68/40/1124636840.db2.gz QPTDHCCCNOJGJZ-KRWDZBQOSA-N 0 1 297.402 3.521 20 0 CHADMN Cc1ccccc1[C@H](N)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000449064866 1124640617 /nfs/dbraw/zinc/64/06/17/1124640617.db2.gz WPTLLFBTHITOJG-KRWDZBQOSA-N 0 1 296.414 3.931 20 0 CHADMN CC[C@H](CC(C)C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000449075788 1124645737 /nfs/dbraw/zinc/64/57/37/1124645737.db2.gz SASQASTVUCGQDI-KGLIPLIRSA-N 0 1 296.480 3.539 20 0 CHADMN CC(C)(NCc1ccncc1F)c1ccc(Cl)cc1 ZINC000449115605 1124650513 /nfs/dbraw/zinc/65/05/13/1124650513.db2.gz IGURAMRKVLNQIN-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1cccnc1C(F)(F)F ZINC000528398204 1124652634 /nfs/dbraw/zinc/65/26/34/1124652634.db2.gz YCCZPBKHDKIZRG-WDEREUQCSA-N 0 1 272.314 3.721 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc(O)c1F)c1ccccc1 ZINC000872017315 1124656692 /nfs/dbraw/zinc/65/66/92/1124656692.db2.gz ZEBGQGATFPVGAT-VXGBXAGGSA-N 0 1 259.324 3.943 20 0 CHADMN Clc1ccc([C@H]2CC[C@@H](NCc3cocn3)C2)cc1 ZINC000449159331 1124658151 /nfs/dbraw/zinc/65/81/51/1124658151.db2.gz ZISCDYXOXNRCHU-GXTWGEPZSA-N 0 1 276.767 3.754 20 0 CHADMN Cn1cc(CN[C@H]2CC(C)(C)Sc3ccccc32)cn1 ZINC000872023552 1124659097 /nfs/dbraw/zinc/65/90/97/1124659097.db2.gz IPXKKTOBJMOQIC-AWEZNQCLSA-N 0 1 287.432 3.525 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cccc(O)c2F)c(C)c1 ZINC000872047703 1124665185 /nfs/dbraw/zinc/66/51/85/1124665185.db2.gz CYXGOSGSBWNQFB-LBPRGKRZSA-N 0 1 289.350 3.699 20 0 CHADMN C/C(Cl)=C\CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000528437469 1124666289 /nfs/dbraw/zinc/66/62/89/1124666289.db2.gz NQYHZQDLRZZPQD-YQCJOKCJSA-N 0 1 292.810 3.607 20 0 CHADMN C[C@H]1CC[C@@]2(CCN(Cc3ncccc3Cl)C2)C1 ZINC000528439701 1124666787 /nfs/dbraw/zinc/66/67/87/1124666787.db2.gz FTKHIQJROYDISG-SWLSCSKDSA-N 0 1 264.800 3.747 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1ccc(C)cc1OC ZINC000449201804 1124671915 /nfs/dbraw/zinc/67/19/15/1124671915.db2.gz HLFOHEKQJGNJHR-CQSZACIVSA-N 0 1 284.403 3.812 20 0 CHADMN CSc1cc(CNCc2cccc(C)c2F)ccn1 ZINC000449226121 1124674381 /nfs/dbraw/zinc/67/43/81/1124674381.db2.gz LXUJTKMMHYEKEJ-UHFFFAOYSA-N 0 1 276.380 3.541 20 0 CHADMN CO[C@@H]1CCN(Cc2nc3cc(C)ccc3s2)[C@@H](C)C1 ZINC000528489204 1124679271 /nfs/dbraw/zinc/67/92/71/1124679271.db2.gz DXLVUQHLXVJRLE-QWHCGFSZSA-N 0 1 290.432 3.604 20 0 CHADMN CO[C@]1(C)CCCN(Cc2nc3cc(C)ccc3s2)C1 ZINC000528486797 1124679335 /nfs/dbraw/zinc/67/93/35/1124679335.db2.gz XFQQHKJOXPOZST-MRXNPFEDSA-N 0 1 290.432 3.606 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cccc(O)c2F)c1C ZINC000872087863 1124680564 /nfs/dbraw/zinc/68/05/64/1124680564.db2.gz JFNNSZPXFRQOLX-LBPRGKRZSA-N 0 1 289.350 3.699 20 0 CHADMN CC[C@@H](NCc1cc(CO)ccc1F)c1ccccc1 ZINC000528519853 1124681408 /nfs/dbraw/zinc/68/14/08/1124681408.db2.gz KFPOGLWVQBYUBC-QGZVFWFLSA-N 0 1 273.351 3.559 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)cs1 ZINC000872110161 1124686364 /nfs/dbraw/zinc/68/63/64/1124686364.db2.gz WGFMWDZZIAIOLH-ABHRYQDASA-N 0 1 294.464 3.875 20 0 CHADMN C[C@H](CF)NCc1cnc(-c2c(F)cccc2F)s1 ZINC000449328339 1124689488 /nfs/dbraw/zinc/68/94/88/1124689488.db2.gz FEPUXTGUZTXCPH-MRVPVSSYSA-N 0 1 286.322 3.536 20 0 CHADMN C[C@H]([C@H]1Cc2ccccc21)N(C)Cc1ncccc1Cl ZINC000528560349 1124689795 /nfs/dbraw/zinc/68/97/95/1124689795.db2.gz IPMHUMJMYPXNDT-IUODEOHRSA-N 0 1 286.806 3.895 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)cs1 ZINC000449332338 1124691019 /nfs/dbraw/zinc/69/10/19/1124691019.db2.gz REFYYMKFJMAKIW-AWEZNQCLSA-N 0 1 275.421 3.734 20 0 CHADMN Cc1csc([C@@H](C)NC2CC(Nc3ccccc3)C2)n1 ZINC000872134337 1124692467 /nfs/dbraw/zinc/69/24/67/1124692467.db2.gz RLTIVQNXNLASRJ-LRVUVFPRSA-N 0 1 287.432 3.745 20 0 CHADMN COc1cc(C)ccc1CN1CCC[C@@H]1c1ccncc1 ZINC000449319153 1124693261 /nfs/dbraw/zinc/69/32/61/1124693261.db2.gz JABIYSHBWYMCAJ-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN c1c2cccnc2oc1CN1CCC[C@H]1c1cccnc1 ZINC000449321832 1124693956 /nfs/dbraw/zinc/69/39/56/1124693956.db2.gz UYJMKDSZMBKZGN-INIZCTEOSA-N 0 1 279.343 3.560 20 0 CHADMN C[C@@H](C[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-])CC(C)(C)C ZINC000872161304 1124696610 /nfs/dbraw/zinc/69/66/10/1124696610.db2.gz WSSQEKGCUUQEDD-CJNGLKHVSA-N 0 1 289.419 3.743 20 0 CHADMN Cc1ccc(C[N@H+]2CCC3(C2)CCCCC3)cc1C(=O)[O-] ZINC000872159099 1124696818 /nfs/dbraw/zinc/69/68/18/1124696818.db2.gz NBRIREJVOKJPPI-UHFFFAOYSA-N 0 1 287.403 3.849 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@@H+](CC(=O)[O-])C2CCC2)c1 ZINC000872162380 1124697103 /nfs/dbraw/zinc/69/71/03/1124697103.db2.gz PGJPDYKYOZXIJE-UHFFFAOYSA-N 0 1 297.398 3.896 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872169388 1124697196 /nfs/dbraw/zinc/69/71/96/1124697196.db2.gz NNSSWLXVQXIUPW-YQQAZPJKSA-N 0 1 291.366 3.606 20 0 CHADMN Cc1ccc(C[N@H+](CC2CCC2)C(C)C)cc1C(=O)[O-] ZINC000872159926 1124697274 /nfs/dbraw/zinc/69/72/74/1124697274.db2.gz TXVIUYKCGQTNKU-UHFFFAOYSA-N 0 1 275.392 3.704 20 0 CHADMN CC(C)[C@H](N)c1noc([C@H](C)CCc2ccc(F)cc2)n1 ZINC000872171341 1124697738 /nfs/dbraw/zinc/69/77/38/1124697738.db2.gz RUPXNGIOHPGPIN-RISCZKNCSA-N 0 1 291.370 3.601 20 0 CHADMN Fc1ccc(F)c(CN2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872260074 1124699136 /nfs/dbraw/zinc/69/91/36/1124699136.db2.gz IBAQBBFFRVMBAP-INIZCTEOSA-N 0 1 295.373 3.888 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cnc(N(C)C)s2)cc1F ZINC000449372709 1124702492 /nfs/dbraw/zinc/70/24/92/1124702492.db2.gz LBPIBPNMWYXSMN-LLVKDONJSA-N 0 1 293.411 3.507 20 0 CHADMN Fc1ccc(C2CC2)cc1CNCc1ccccc1 ZINC000449373873 1124705875 /nfs/dbraw/zinc/70/58/75/1124705875.db2.gz VECCEYIIXGPUOH-UHFFFAOYSA-N 0 1 255.336 3.993 20 0 CHADMN COC[C@@]1(C)CCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000449394735 1124714106 /nfs/dbraw/zinc/71/41/06/1124714106.db2.gz OTCJWOIQMLCVMT-AWEZNQCLSA-N 0 1 288.218 3.852 20 0 CHADMN CCC[C@@H](CNCc1csc(-c2ccccc2)n1)OC ZINC000449378055 1124715015 /nfs/dbraw/zinc/71/50/15/1124715015.db2.gz VIAKXUMPIZWICB-HNNXBMFYSA-N 0 1 290.432 3.715 20 0 CHADMN Clc1cccc2c1C[C@@H](N1CCc3cccnc3C1)CC2 ZINC001170944467 1131278895 /nfs/dbraw/zinc/27/88/95/1131278895.db2.gz POZIOACDOUFJAH-HNNXBMFYSA-N 0 1 298.817 3.651 20 0 CHADMN FCC(CF)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000449380901 1124716739 /nfs/dbraw/zinc/71/67/39/1124716739.db2.gz PGBPWUVSOSHRTQ-GJZGRUSLSA-N 0 1 253.336 3.610 20 0 CHADMN CCOc1c(Cl)cccc1CN1CC[C@@](C)(COC)C1 ZINC000449391329 1124722183 /nfs/dbraw/zinc/72/21/83/1124722183.db2.gz HWKNFFDVZPIQKY-MRXNPFEDSA-N 0 1 297.826 3.597 20 0 CHADMN Cc1ccc(OC(F)F)c(CNCc2ccnc(C)c2)c1 ZINC000449401298 1124724952 /nfs/dbraw/zinc/72/49/52/1124724952.db2.gz GLBQVGWEXUNDLH-UHFFFAOYSA-N 0 1 292.329 3.590 20 0 CHADMN COC(=O)CCC[C@@H]1CCC[C@@H](N[C@H](C)C(C)(F)F)C1 ZINC000449411435 1124730618 /nfs/dbraw/zinc/73/06/18/1124730618.db2.gz BJLVPPIBFWDXEI-FRRDWIJNSA-N 0 1 291.382 3.522 20 0 CHADMN COC(=O)CCC[C@@H]1CCC[C@H](N[C@@H](C)C(C)(F)F)C1 ZINC000449411434 1124731035 /nfs/dbraw/zinc/73/10/35/1124731035.db2.gz BJLVPPIBFWDXEI-AVGNSLFASA-N 0 1 291.382 3.522 20 0 CHADMN CC(C)C[C@@]1(C)CCCN1Cc1nccn1C(F)F ZINC000449435103 1124739987 /nfs/dbraw/zinc/73/99/87/1124739987.db2.gz UYQOYQREJLVBBP-CQSZACIVSA-N 0 1 271.355 3.679 20 0 CHADMN CS[C@@H]1CCN(Cc2ccccc2OC(F)(F)F)C1 ZINC000449445539 1124740372 /nfs/dbraw/zinc/74/03/72/1124740372.db2.gz JOOQNWXLKPRVDK-LLVKDONJSA-N 0 1 291.338 3.523 20 0 CHADMN CC(C)C[C@]1(C)CCCN1Cc1nccn1C(F)F ZINC000449435102 1124740421 /nfs/dbraw/zinc/74/04/21/1124740421.db2.gz UYQOYQREJLVBBP-AWEZNQCLSA-N 0 1 271.355 3.679 20 0 CHADMN CC(C)(C)c1ccc(CNCc2ccc3nccnc3c2)o1 ZINC000873152789 1124743853 /nfs/dbraw/zinc/74/38/53/1124743853.db2.gz XMOKMQMJAADNKM-UHFFFAOYSA-N 0 1 295.386 3.810 20 0 CHADMN Cc1occc1CN[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000873184441 1124747014 /nfs/dbraw/zinc/74/70/14/1124747014.db2.gz QDNPTBNNKRMOPX-SECBINFHSA-N 0 1 284.281 3.853 20 0 CHADMN Cc1nc2ccc(CN[C@H](C)c3nccnc3C)cc2s1 ZINC000873187494 1124747077 /nfs/dbraw/zinc/74/70/77/1124747077.db2.gz UJBKFQLCMGOBHZ-LLVKDONJSA-N 0 1 298.415 3.554 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1cccc(CC2CCC2)c1 ZINC000873186681 1124747767 /nfs/dbraw/zinc/74/77/67/1124747767.db2.gz VEAPNBZWALYVGJ-HNNXBMFYSA-N 0 1 295.430 3.978 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(C(F)(F)F)nc2)cn1 ZINC000873185056 1124747785 /nfs/dbraw/zinc/74/77/85/1124747785.db2.gz BHQKYDIMRPHYLD-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2nccnc2C)cc1C ZINC000873188508 1124749883 /nfs/dbraw/zinc/74/98/83/1124749883.db2.gz JFYVHEWZUBIWLQ-HNNXBMFYSA-N 0 1 269.392 3.561 20 0 CHADMN CCO[C@@H]1CCN(Cc2ccsc2Cl)C[C@H]1C ZINC000449493134 1124759978 /nfs/dbraw/zinc/75/99/78/1124759978.db2.gz DEGNSKGMRWVWCJ-ZYHUDNBSSA-N 0 1 273.829 3.648 20 0 CHADMN CC(C)[C@H](NCc1cccnc1)c1ccc(F)cc1F ZINC000150879709 1124763817 /nfs/dbraw/zinc/76/38/17/1124763817.db2.gz GDHVZAUOGJPJOB-INIZCTEOSA-N 0 1 276.330 3.847 20 0 CHADMN COc1cccc(-c2nc(C(C)(C)C)nc3nc[nH]c32)c1C ZINC001238983793 1131285410 /nfs/dbraw/zinc/28/54/10/1131285410.db2.gz VZHWUQVFHFEREX-UHFFFAOYSA-N 0 1 296.374 3.586 20 0 CHADMN COc1cccc(-c2ccc(CN(C)C)c(F)c2)c1C ZINC001238994095 1131288195 /nfs/dbraw/zinc/28/81/95/1131288195.db2.gz PJHHTVMNLSZXPI-UHFFFAOYSA-N 0 1 273.351 3.871 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN(c4nccs4)C3)[nH]c2c1 ZINC000820687735 1131298027 /nfs/dbraw/zinc/29/80/27/1131298027.db2.gz YQANCXGGMDSEHQ-GFCCVEGCSA-N 0 1 298.415 3.712 20 0 CHADMN CCOC(=O)c1cc2cc(-c3ccn(C(C)C)c3)cnc2[nH]1 ZINC001239069312 1131299921 /nfs/dbraw/zinc/29/99/21/1131299921.db2.gz FIGJSYHQVUSQOW-UHFFFAOYSA-N 0 1 297.358 3.789 20 0 CHADMN COc1cc([C@H](C)N[C@@H](c2ccccc2C)C2CC2)on1 ZINC000820810455 1131302093 /nfs/dbraw/zinc/30/20/93/1131302093.db2.gz XDNIOXYSWDYOPM-YVEFUNNKSA-N 0 1 286.375 3.794 20 0 CHADMN CC(C)n1cc(CN(C)C[C@H](C)C2CCCCC2)nn1 ZINC000528774647 1124801682 /nfs/dbraw/zinc/80/16/82/1124801682.db2.gz SMKBREYMHCJEFH-AWEZNQCLSA-N 0 1 278.444 3.507 20 0 CHADMN CCn1ccnc1[C@H](C)NC/C=C\c1ccc(F)cc1F ZINC000449562115 1124803807 /nfs/dbraw/zinc/80/38/07/1124803807.db2.gz HBOWZHRBCNCDEK-RXNFCKPNSA-N 0 1 291.345 3.545 20 0 CHADMN CC1(C)CCN(CCCC2CCCCC2)CC[S@]1=O ZINC000449576718 1124810063 /nfs/dbraw/zinc/81/00/63/1124810063.db2.gz UVMQPLOYWBDPCL-LJQANCHMSA-N 0 1 285.497 3.580 20 0 CHADMN CC(C)c1ccc(NC(=O)[C@@H](C)N(C)C)c(C(C)C)c1 ZINC000873990106 1124811474 /nfs/dbraw/zinc/81/14/74/1124811474.db2.gz PMIPEISVIPJAAV-CYBMUJFWSA-N 0 1 276.424 3.822 20 0 CHADMN CCCc1ncc(CNCc2cc(C)ccc2C)o1 ZINC000449615372 1124827806 /nfs/dbraw/zinc/82/78/06/1124827806.db2.gz YPNCHOURFZDACJ-UHFFFAOYSA-N 0 1 258.365 3.534 20 0 CHADMN O=C(Nc1nc2ccc(Cl)cc2[nH]1)[C@H]1CCC(F)(F)C1 ZINC000874691041 1124852598 /nfs/dbraw/zinc/85/25/98/1124852598.db2.gz QGTPJDMRBGFMBG-ZETCQYMHSA-N 0 1 299.708 3.590 20 0 CHADMN Cc1cc(C)c(CNCc2cnc(C(C)C)s2)cn1 ZINC000449735951 1124856309 /nfs/dbraw/zinc/85/63/09/1124856309.db2.gz SYXVXIBKLMCQDX-UHFFFAOYSA-N 0 1 275.421 3.568 20 0 CHADMN Cc1ccc(CN(C)Cc2ncccc2C)cc1C ZINC000449763025 1124859875 /nfs/dbraw/zinc/85/98/75/1124859875.db2.gz NXGFXIBRQVCHFU-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN Clc1cccc([C@H]2CC[C@@H](NCc3csnn3)C2)c1 ZINC000449770799 1124865920 /nfs/dbraw/zinc/86/59/20/1124865920.db2.gz JBHHJXSEUOQBME-WCQYABFASA-N 0 1 293.823 3.617 20 0 CHADMN Clc1cccc([C@@H]2CC[C@@H](NCc3csnn3)C2)c1 ZINC000449770798 1124866343 /nfs/dbraw/zinc/86/63/43/1124866343.db2.gz JBHHJXSEUOQBME-DGCLKSJQSA-N 0 1 293.823 3.617 20 0 CHADMN COC[C@@H]1CCCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC000449778365 1124867722 /nfs/dbraw/zinc/86/77/22/1124867722.db2.gz RYSWTQSMMIAPAD-GFCCVEGCSA-N 0 1 285.790 3.728 20 0 CHADMN COC[C@H]1CCCN(Cc2ccc(Cl)cc2F)CC1 ZINC000449781421 1124869425 /nfs/dbraw/zinc/86/94/25/1124869425.db2.gz XDPUSMLTELRHEN-LBPRGKRZSA-N 0 1 285.790 3.728 20 0 CHADMN CC(C)[C@H]1N(Cc2cncc(F)c2)CC12CCCC2 ZINC000449790843 1124875223 /nfs/dbraw/zinc/87/52/23/1124875223.db2.gz MLXIAAPSDBSFPI-OAHLLOKOSA-N 0 1 262.372 3.621 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(N)ccc1Cl ZINC001159870620 1131317769 /nfs/dbraw/zinc/31/77/69/1131317769.db2.gz ABRZXYKCWLKWHU-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN CC[C@@H](CC(C)C)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000450008355 1124912168 /nfs/dbraw/zinc/91/21/68/1124912168.db2.gz GQOYBDWZQRXJIL-ZDUSSCGKSA-N 0 1 287.407 3.560 20 0 CHADMN CCC[C@@H]1CCC[C@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000450136750 1124932438 /nfs/dbraw/zinc/93/24/38/1124932438.db2.gz YEWXHHUKDKHFMI-RKDXNWHRSA-N 0 1 289.301 3.583 20 0 CHADMN CCN(Cc1ccccc1)Cc1cccc(C(C)=O)c1 ZINC000450215634 1124946918 /nfs/dbraw/zinc/94/69/18/1124946918.db2.gz NUJHQUGHIVMSRX-UHFFFAOYSA-N 0 1 267.372 3.911 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc2c(o1)CCCC2 ZINC001123842082 1131321027 /nfs/dbraw/zinc/32/10/27/1131321027.db2.gz PLJHNERGVFFXTB-UHFFFAOYSA-N 0 1 295.342 3.595 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc(C(C)=O)cc2)cc1 ZINC000450237034 1124955125 /nfs/dbraw/zinc/95/51/25/1124955125.db2.gz INJNLDJCQLOYRN-UHFFFAOYSA-N 0 1 297.398 3.920 20 0 CHADMN Clc1csc(CN(C2CC2)C2CCCC2)n1 ZINC000876571086 1124961395 /nfs/dbraw/zinc/96/13/95/1124961395.db2.gz FYHRAKCWNZLLQU-UHFFFAOYSA-N 0 1 256.802 3.704 20 0 CHADMN Cc1cc([C@H]2CCCN2CCCC(=O)c2ccccc2)on1 ZINC000450267337 1124964944 /nfs/dbraw/zinc/96/49/44/1124964944.db2.gz AOALGAVGOLSKMT-MRXNPFEDSA-N 0 1 298.386 3.783 20 0 CHADMN CCC[C@@H](CC1CCCC1)C(=O)NCc1n[nH]c(C)c1C ZINC001123902480 1131322419 /nfs/dbraw/zinc/32/24/19/1131322419.db2.gz XLGASLAUUCBNFP-HNNXBMFYSA-N 0 1 291.439 3.639 20 0 CHADMN CC(C)(C)C1=CCN(Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000876816493 1124978928 /nfs/dbraw/zinc/97/89/28/1124978928.db2.gz KZOZLBYEAYXIQQ-UHFFFAOYSA-N 0 1 286.375 3.712 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@H]1COCc3ccccc31)CC2 ZINC000340528058 1124979683 /nfs/dbraw/zinc/97/96/83/1124979683.db2.gz ZPLOUNPOPMLCFF-ROUUACIJSA-N 0 1 283.346 3.674 20 0 CHADMN CN(CCc1ccc(F)cc1)Cc1cc(F)cc(F)c1F ZINC001137873363 1124979820 /nfs/dbraw/zinc/97/98/20/1124979820.db2.gz BGRVXZKBMVSVMO-UHFFFAOYSA-N 0 1 297.295 3.918 20 0 CHADMN COc1ccc2c(c1)CN(Cc1ccc3cc[nH]c3c1)CC2 ZINC000529526764 1124980569 /nfs/dbraw/zinc/98/05/69/1124980569.db2.gz ZUGVSUXNOUSACG-UHFFFAOYSA-N 0 1 292.382 3.735 20 0 CHADMN O[C@@H]1CCN(Cc2ccc(-c3ccccc3)c(Cl)c2)C1 ZINC000529521463 1124984692 /nfs/dbraw/zinc/98/46/92/1124984692.db2.gz PDWLCBXFTITNSQ-OAHLLOKOSA-N 0 1 287.790 3.574 20 0 CHADMN CC(C)(C)C[C@@H]1CCCN1Cc1nnc(C2CC2)s1 ZINC000450318955 1124985233 /nfs/dbraw/zinc/98/52/33/1124985233.db2.gz OUKDJVPTLXLAGG-LBPRGKRZSA-N 0 1 279.453 3.816 20 0 CHADMN CC(C)c1ccccc1OCCNCc1ccc(F)cn1 ZINC000529547719 1124990941 /nfs/dbraw/zinc/99/09/41/1124990941.db2.gz IJWZJOLODVBTDM-UHFFFAOYSA-N 0 1 288.366 3.513 20 0 CHADMN CC(C)c1ccc(CNCc2ccc(Cl)nn2)cc1 ZINC000876969967 1124993594 /nfs/dbraw/zinc/99/35/94/1124993594.db2.gz FUIHNQQTJMAOOC-UHFFFAOYSA-N 0 1 275.783 3.543 20 0 CHADMN CSC(C)(C)CCNCc1nc(C)c2ccccc2n1 ZINC000876996932 1124996248 /nfs/dbraw/zinc/99/62/48/1124996248.db2.gz IPQYJCZDSWBIDA-UHFFFAOYSA-N 0 1 289.448 3.560 20 0 CHADMN Clc1ccc(CN[C@H](CC2CC2)c2ccccc2)nn1 ZINC000877043790 1125001694 /nfs/dbraw/zinc/00/16/94/1125001694.db2.gz NQZKWCQMDUIHSP-OAHLLOKOSA-N 0 1 287.794 3.761 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NCC[C@H]1CCCC1(C)C ZINC000529567880 1125003858 /nfs/dbraw/zinc/00/38/58/1125003858.db2.gz VYSFYMZLQDABGQ-CYBMUJFWSA-N 0 1 291.439 3.788 20 0 CHADMN Clc1ccc2c(c1)[C@H](NC[C@@H]1CC1(Cl)Cl)CO2 ZINC000877088174 1125008895 /nfs/dbraw/zinc/00/88/95/1125008895.db2.gz CBSDHVLDULKATK-OIBJUYFYSA-N 0 1 292.593 3.557 20 0 CHADMN Clc1cccc2c1OC[C@H]2NC[C@@H]1CC1(Cl)Cl ZINC000877095516 1125009886 /nfs/dbraw/zinc/00/98/86/1125009886.db2.gz QQTSOGMNSSWFHE-OIBJUYFYSA-N 0 1 292.593 3.557 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](c3ccccn3)C2)cn1 ZINC000821331821 1131325035 /nfs/dbraw/zinc/32/50/35/1131325035.db2.gz FBTFEMWOJSBWLP-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN Clc1csc(CNCCCc2cccs2)n1 ZINC000877121533 1125011595 /nfs/dbraw/zinc/01/15/95/1125011595.db2.gz RRPWCHYXSRQJJQ-UHFFFAOYSA-N 0 1 272.826 3.580 20 0 CHADMN CCC(CC)[C@@H](CCNCc1nc(Cl)cs1)OC ZINC000877117025 1125012248 /nfs/dbraw/zinc/01/22/48/1125012248.db2.gz ZIJZDGQWTMYOFC-LLVKDONJSA-N 0 1 290.860 3.727 20 0 CHADMN Cc1cccc([C@H](C)N2CCO[C@H](c3ccco3)C2)c1 ZINC000120970628 1125013181 /nfs/dbraw/zinc/01/31/81/1125013181.db2.gz HVJNUGOVATWTBP-YOEHRIQHSA-N 0 1 271.360 3.723 20 0 CHADMN CC[C@H](NCc1c(F)ccc(F)c1Cl)[C@@H](O)C(C)C ZINC000529605997 1125014295 /nfs/dbraw/zinc/01/42/95/1125014295.db2.gz HCFJKYFQIOWDHW-JSGCOSHPSA-N 0 1 291.769 3.503 20 0 CHADMN Cc1ccc([C@H]2CCC[C@H]2N(C)Cc2cnns2)cc1 ZINC000450437210 1125024565 /nfs/dbraw/zinc/02/45/65/1125024565.db2.gz IBBWALZVOWLBQD-HZPDHXFCSA-N 0 1 287.432 3.615 20 0 CHADMN CCC[C@H](NC(=O)CN1CCCC[C@H]1C)c1ccccc1 ZINC000302742817 1125025618 /nfs/dbraw/zinc/02/56/18/1125025618.db2.gz MTMOVZVRPDCODU-WBVHZDCISA-N 0 1 288.435 3.518 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nnc(C2CC2)s1 ZINC000450437946 1125026222 /nfs/dbraw/zinc/02/62/22/1125026222.db2.gz LQNWKAZNXLSNBK-RAIGVLPGSA-N 0 1 277.437 3.569 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)c1 ZINC000450440912 1125026236 /nfs/dbraw/zinc/02/62/36/1125026236.db2.gz PWDVTUKJWQYNOS-MISXGVKJSA-N 0 1 289.375 3.606 20 0 CHADMN COc1ccc([C@H]2CCCN2Cc2ccco2)c(OC)c1 ZINC000121010378 1125029128 /nfs/dbraw/zinc/02/91/28/1125029128.db2.gz BIFNVGJRAXVRTL-MRXNPFEDSA-N 0 1 287.359 3.634 20 0 CHADMN Fc1ccc(CN2CC(Cc3ccco3)C2)c2ncccc12 ZINC000529650297 1125031373 /nfs/dbraw/zinc/03/13/73/1125031373.db2.gz YGMOVNQJDXAOOM-UHFFFAOYSA-N 0 1 296.345 3.641 20 0 CHADMN CCCN(Cc1ccon1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000121047253 1125033623 /nfs/dbraw/zinc/03/36/23/1125033623.db2.gz LCRJCWNCUXVMNV-HOTGVXAUSA-N 0 1 292.423 3.624 20 0 CHADMN Brc1ncccc1CN(CC1CC1)C1CCC1 ZINC000877494702 1125035167 /nfs/dbraw/zinc/03/51/67/1125035167.db2.gz ZHIXGYKOBILOJQ-UHFFFAOYSA-N 0 1 295.224 3.609 20 0 CHADMN Fc1ccc([C@H]2C[C@H](NCc3nc(Cl)cs3)C2)cc1 ZINC000877549397 1125042393 /nfs/dbraw/zinc/04/23/93/1125042393.db2.gz LYMYWEDBCXVHHL-UMSPYCQHSA-N 0 1 296.798 3.971 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1Cc1nnc(C2CC2)s1 ZINC000450495891 1125046044 /nfs/dbraw/zinc/04/60/44/1125046044.db2.gz BVQBTESELHCTFB-DGCLKSJQSA-N 0 1 279.453 3.816 20 0 CHADMN Fc1ccc(CC2(NCc3nc(Cl)cs3)CC2)cc1 ZINC000877570927 1125045933 /nfs/dbraw/zinc/04/59/33/1125045933.db2.gz UGIHRKWFXLKGSH-UHFFFAOYSA-N 0 1 296.798 3.801 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc3c(c2)CCCO3)sn1 ZINC000877643911 1125057339 /nfs/dbraw/zinc/05/73/39/1125057339.db2.gz OWUIEDBZFIKAMB-LBPRGKRZSA-N 0 1 288.416 3.627 20 0 CHADMN COc1cccc2c1CN(CCC(C)(C)SC)C2 ZINC000877658074 1125059094 /nfs/dbraw/zinc/05/90/94/1125059094.db2.gz NFUBLANKOALWHT-UHFFFAOYSA-N 0 1 265.422 3.543 20 0 CHADMN CC[C@](C)(NCc1ccc(Cl)nn1)c1ccc(F)cc1 ZINC000877666110 1125060904 /nfs/dbraw/zinc/06/09/04/1125060904.db2.gz WPHGGJMLNUPQGP-HNNXBMFYSA-N 0 1 293.773 3.684 20 0 CHADMN CSC1CCN(Cc2cc(Cl)cs2)CC1 ZINC000877663013 1125060954 /nfs/dbraw/zinc/06/09/54/1125060954.db2.gz CUZKLUXDKDRVBQ-UHFFFAOYSA-N 0 1 261.843 3.729 20 0 CHADMN Cc1nnc([C@@H]2CCCC[N@H+]2CCC2=CCCCC2)[nH]1 ZINC000450606902 1125066384 /nfs/dbraw/zinc/06/63/84/1125066384.db2.gz ABCZNTGSAHTSPB-HNNXBMFYSA-N 0 1 274.412 3.531 20 0 CHADMN Cc1nnc([C@@H]2CCCCN2CCC2=CCCCC2)[nH]1 ZINC000450606902 1125066392 /nfs/dbraw/zinc/06/63/92/1125066392.db2.gz ABCZNTGSAHTSPB-HNNXBMFYSA-N 0 1 274.412 3.531 20 0 CHADMN CC(C)(C)CC(C)(C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000821384678 1131329131 /nfs/dbraw/zinc/32/91/31/1131329131.db2.gz AQEJQJNRGDOCPX-UHFFFAOYSA-N 0 1 287.407 3.642 20 0 CHADMN CC[C@H](NCc1cccc(F)c1)c1c(C)noc1C ZINC000121243720 1125069686 /nfs/dbraw/zinc/06/96/86/1125069686.db2.gz OUDAIQNAYWKSKS-AWEZNQCLSA-N 0 1 262.328 3.671 20 0 CHADMN C[C@H]1CCC[C@@H](C2CN(Cc3cn(C)nc3C(F)F)C2)C1 ZINC000877763824 1125076323 /nfs/dbraw/zinc/07/63/23/1125076323.db2.gz KQXGHYRAWUYDIF-NWDGAFQWSA-N 0 1 297.393 3.616 20 0 CHADMN CN(Cc1ccc2cc[nH]c2c1)Cc1ccc2c(n1)CCC2 ZINC000877769271 1125077507 /nfs/dbraw/zinc/07/75/07/1125077507.db2.gz CWEHLLOMJAHXGP-UHFFFAOYSA-N 0 1 291.398 3.684 20 0 CHADMN CN(Cc1ccc2cc[nH]c2c1)C[C@H]1CC1(Cl)Cl ZINC000877769225 1125077783 /nfs/dbraw/zinc/07/77/83/1125077783.db2.gz BKTMZOVLXNRIEL-GFCCVEGCSA-N 0 1 283.202 3.794 20 0 CHADMN Cc1ccc(-c2ccc(F)c(CN(C)C)c2)c(C)n1 ZINC001239468608 1131330405 /nfs/dbraw/zinc/33/04/05/1131330405.db2.gz JIGKXVSZKJJDDT-UHFFFAOYSA-N 0 1 258.340 3.566 20 0 CHADMN Cc1csc([C@H]2CCN(Cc3ccc(Cl)o3)C2)n1 ZINC000877814358 1125084803 /nfs/dbraw/zinc/08/48/03/1125084803.db2.gz XFYFACAAYXPXGY-JTQLQIEISA-N 0 1 282.796 3.687 20 0 CHADMN CC(=O)CCCCCSc1nc(-c2ccccc2)n[nH]1 ZINC000450683425 1125084916 /nfs/dbraw/zinc/08/49/16/1125084916.db2.gz SHRMNHGKGPBDBP-UHFFFAOYSA-N 0 1 289.404 3.713 20 0 CHADMN Cc1csc([C@H]2CCN(Cc3c(F)cccc3F)C2)n1 ZINC000877813918 1125085690 /nfs/dbraw/zinc/08/56/90/1125085690.db2.gz QFTDBMWTXBBJEL-NSHDSACASA-N 0 1 294.370 3.719 20 0 CHADMN Cc1csc([C@H]2CCN(Cc3cccc(F)c3F)C2)n1 ZINC000877813962 1125086384 /nfs/dbraw/zinc/08/63/84/1125086384.db2.gz QUDHIQXHWRHQNQ-LBPRGKRZSA-N 0 1 294.370 3.719 20 0 CHADMN Cc1csc([C@H]2CCN(Cc3ccc(F)cc3F)C2)n1 ZINC000877813663 1125086680 /nfs/dbraw/zinc/08/66/80/1125086680.db2.gz NMUHVMUDKDZXPW-LBPRGKRZSA-N 0 1 294.370 3.719 20 0 CHADMN FC(F)(F)[C@H]1CCN(Cc2coc3ccccc23)CCO1 ZINC000877820954 1125088517 /nfs/dbraw/zinc/08/85/17/1125088517.db2.gz UIFAIAJAMPRCMB-CQSZACIVSA-N 0 1 299.292 3.586 20 0 CHADMN CC(C)(O)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000877835090 1125088924 /nfs/dbraw/zinc/08/89/24/1125088924.db2.gz GUGGLTDHFAKBJB-LLVKDONJSA-N 0 1 288.218 3.586 20 0 CHADMN CN(Cc1ccoc1)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000877989444 1125111256 /nfs/dbraw/zinc/11/12/56/1125111256.db2.gz ZQXPNEYWTNKIEJ-SJORKVTESA-N 0 1 271.360 3.632 20 0 CHADMN CC(C)[C@H]1CCCCN1Cc1nc2c(o1)CCCC2 ZINC000878111727 1125121017 /nfs/dbraw/zinc/12/10/17/1125121017.db2.gz CWDPNCJEXJWKBQ-CQSZACIVSA-N 0 1 262.397 3.564 20 0 CHADMN CC(C)OCCC[N@@H+](C)Cc1cc(C(F)(F)F)co1 ZINC000878125095 1125121910 /nfs/dbraw/zinc/12/19/10/1125121910.db2.gz KCQUCQMYNNWIPK-UHFFFAOYSA-N 0 1 279.302 3.545 20 0 CHADMN CC(C)OCCCN(C)Cc1cc(C(F)(F)F)co1 ZINC000878125095 1125121911 /nfs/dbraw/zinc/12/19/11/1125121911.db2.gz KCQUCQMYNNWIPK-UHFFFAOYSA-N 0 1 279.302 3.545 20 0 CHADMN C(c1nc2c(o1)CCCC2)N1CCC2(C1)CCCCC2 ZINC000878134380 1125122501 /nfs/dbraw/zinc/12/25/01/1125122501.db2.gz IDTKAABXMCGOJP-UHFFFAOYSA-N 0 1 274.408 3.710 20 0 CHADMN CCc1ccc([C@@H](CC(C)C)[N@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000530162639 1125128739 /nfs/dbraw/zinc/12/87/39/1125128739.db2.gz YXLFUAMVBLLSFY-DLBZAZTESA-N 0 1 289.419 3.743 20 0 CHADMN C[C@]1(F)CCCN(Cc2cc3ccncc3s2)C1 ZINC000826029858 1125129808 /nfs/dbraw/zinc/12/98/08/1125129808.db2.gz KXVBAEJYWIGJHT-AWEZNQCLSA-N 0 1 264.369 3.620 20 0 CHADMN CCCc1ccccc1NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878205025 1125130468 /nfs/dbraw/zinc/13/04/68/1125130468.db2.gz DLQPWIHAXKIAFN-SJCJKPOMSA-N 0 1 297.402 3.667 20 0 CHADMN C=C/C=C/CCNC1(c2noc(C)n2)CCCCCC1 ZINC000878217847 1125132931 /nfs/dbraw/zinc/13/29/31/1125132931.db2.gz GFRBCRXYTHMZQF-SNAWJCMRSA-N 0 1 275.396 3.649 20 0 CHADMN COc1cccc([C@@H](C)N2CCC[C@@](C)(F)C2)c1 ZINC000451116644 1125136332 /nfs/dbraw/zinc/13/63/32/1125136332.db2.gz SECMEHOSMXRMER-IUODEOHRSA-N 0 1 251.345 3.580 20 0 CHADMN CC[C@](C)(NC[C@H]1CCC2(CCCC2)O1)c1nccs1 ZINC000530358592 1125145435 /nfs/dbraw/zinc/14/54/35/1125145435.db2.gz ZGZAVVUIKYIDLU-HIFRSBDPSA-N 0 1 294.464 3.850 20 0 CHADMN Cc1ccc(CN[C@H](c2cccnc2)C2CC2)nc1Cl ZINC000878404149 1125148938 /nfs/dbraw/zinc/14/89/38/1125148938.db2.gz XHDMTAPSKNEJGB-HNNXBMFYSA-N 0 1 287.794 3.679 20 0 CHADMN CN(C)c1ccccc1CN(Cc1cccs1)C1CC1 ZINC000303898923 1125151455 /nfs/dbraw/zinc/15/14/55/1125151455.db2.gz QGUCIERLOHKKKA-UHFFFAOYSA-N 0 1 286.444 3.979 20 0 CHADMN CS[C@H]1CCN([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000451324683 1125154029 /nfs/dbraw/zinc/15/40/29/1125154029.db2.gz ZFZAYMVFUODTMP-ONGXEEELSA-N 0 1 273.804 3.977 20 0 CHADMN CC1(C)CCCC[C@H]1NCc1nc2c(o1)CCCC2 ZINC000878448489 1125154930 /nfs/dbraw/zinc/15/49/30/1125154930.db2.gz ZZYVPRORXCDJNZ-CQSZACIVSA-N 0 1 262.397 3.612 20 0 CHADMN CN(Cc1ccccc1F)C[C@@H]1CCC2(CCCC2)O1 ZINC000530471181 1125156452 /nfs/dbraw/zinc/15/64/52/1125156452.db2.gz GUEZIENYDXCWHU-HNNXBMFYSA-N 0 1 277.383 3.749 20 0 CHADMN Cc1csc(C(C)(C)NC[C@@H]2CCC3(CCCC3)O2)n1 ZINC000530517840 1125159958 /nfs/dbraw/zinc/15/99/58/1125159958.db2.gz ZDACXCHHDTXMCB-ZDUSSCGKSA-N 0 1 294.464 3.768 20 0 CHADMN CSc1cccc(NC(=O)c2cn[nH]c2C(C)C)c1C ZINC000632299217 1125160305 /nfs/dbraw/zinc/16/03/05/1125160305.db2.gz KINXETKTWHEFOL-UHFFFAOYSA-N 0 1 289.404 3.816 20 0 CHADMN CN(Cc1nc2c(o1)CCCC2)[C@H]1CCC(C)(C)C1 ZINC000878542710 1125160790 /nfs/dbraw/zinc/16/07/90/1125160790.db2.gz QJMUVLTXLSPPMI-LBPRGKRZSA-N 0 1 262.397 3.564 20 0 CHADMN CCCCC[C@@](C)(CC)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC001648973742 1125161739 /nfs/dbraw/zinc/16/17/39/1125161739.db2.gz MAFQMZYODKIUST-SJLPKXTDSA-N 0 1 296.499 3.782 20 0 CHADMN CC1(C)CCC[C@@H](C[N@H+]2CCC=C(c3cccnc3)C2)O1 ZINC000878617668 1125166513 /nfs/dbraw/zinc/16/65/13/1125166513.db2.gz UVUQHYZHGSSPCP-KRWDZBQOSA-N 0 1 286.419 3.518 20 0 CHADMN CS[C@H]1CC[N@@H+](Cc2ccc3ccc(Cl)cc3n2)C1 ZINC000878665397 1125170647 /nfs/dbraw/zinc/17/06/47/1125170647.db2.gz HMAJNEPRTJQXND-AWEZNQCLSA-N 0 1 292.835 3.826 20 0 CHADMN CCN(Cc1nc2c(o1)CCCC2)C1CC(C)(C)C1 ZINC000878713245 1125174921 /nfs/dbraw/zinc/17/49/21/1125174921.db2.gz LVXVGUMGCPPWRH-UHFFFAOYSA-N 0 1 262.397 3.564 20 0 CHADMN Clc1ncccc1CN1CCC[C@@H](c2cccnc2)C1 ZINC000878753143 1125176433 /nfs/dbraw/zinc/17/64/33/1125176433.db2.gz HNHSSIBMMAZVIB-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN O=C(c1cnc[nH]1)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000530766201 1125179502 /nfs/dbraw/zinc/17/95/02/1125179502.db2.gz AYPPQMCTHMCXGX-SNGWPZLWSA-N 0 1 295.386 3.508 20 0 CHADMN Fc1ccc(CN2CCS[C@@H]3CCCC[C@H]32)c(F)c1 ZINC000530772695 1125179596 /nfs/dbraw/zinc/17/95/96/1125179596.db2.gz XICYUDYRIXLTHE-HUUCEWRRSA-N 0 1 283.387 3.825 20 0 CHADMN C[C@@H](NCc1nc2c(o1)CCCC2)C1CCC(F)(F)CC1 ZINC000878846569 1125182271 /nfs/dbraw/zinc/18/22/71/1125182271.db2.gz LHVVTJVMALHKNR-LLVKDONJSA-N 0 1 298.377 3.857 20 0 CHADMN CC(=O)CCCCSc1nnc(CCC2CCCC2)[nH]1 ZINC000122275221 1125183343 /nfs/dbraw/zinc/18/33/43/1125183343.db2.gz VHPMZHXLXOZGRY-UHFFFAOYSA-N 0 1 295.452 3.779 20 0 CHADMN CC(=O)CCCCSc1nc(CCC2CCCC2)n[nH]1 ZINC000122275221 1125183347 /nfs/dbraw/zinc/18/33/47/1125183347.db2.gz VHPMZHXLXOZGRY-UHFFFAOYSA-N 0 1 295.452 3.779 20 0 CHADMN COc1cccc(C[N@@H+](C)[C@@H]2CCCc3ccccc32)n1 ZINC000530908259 1125187258 /nfs/dbraw/zinc/18/72/58/1125187258.db2.gz WBOMJQPRJAODPD-QGZVFWFLSA-N 0 1 282.387 3.600 20 0 CHADMN CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000530925427 1125187428 /nfs/dbraw/zinc/18/74/28/1125187428.db2.gz VMSRRINVEIHPRX-ZDUSSCGKSA-N 0 1 295.810 3.504 20 0 CHADMN CC(C)(C)OC(=O)[C@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC000530925427 1125187431 /nfs/dbraw/zinc/18/74/31/1125187431.db2.gz VMSRRINVEIHPRX-ZDUSSCGKSA-N 0 1 295.810 3.504 20 0 CHADMN CC(C)(C)SCCCN1CCC[C@H]1c1ncccn1 ZINC000878979213 1125189046 /nfs/dbraw/zinc/18/90/46/1125189046.db2.gz WBDMCNOOXCIYNL-ZDUSSCGKSA-N 0 1 279.453 3.535 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H]1c1nc([C@H](N)CC(C)C)no1 ZINC000339386328 1125190669 /nfs/dbraw/zinc/19/06/69/1125190669.db2.gz AZNPBTDSLVKRGV-RRFJBIMHSA-N 0 1 285.391 3.695 20 0 CHADMN CC1(C)C[N@@H+](C[C@@H]2CCC(C)(C)CO2)[C@@H]1c1ccncc1 ZINC000879009574 1125191346 /nfs/dbraw/zinc/19/13/46/1125191346.db2.gz AMBHVFAEQWETNC-JKSUJKDBSA-N 0 1 288.435 3.670 20 0 CHADMN CC1(C)CN(C[C@@H]2CCC(C)(C)CO2)[C@@H]1c1ccncc1 ZINC000879009574 1125191349 /nfs/dbraw/zinc/19/13/49/1125191349.db2.gz AMBHVFAEQWETNC-JKSUJKDBSA-N 0 1 288.435 3.670 20 0 CHADMN CO[C@H]1CC[C@H](N2CCc3ccc(C(F)(F)F)cc3C2)C1 ZINC000879103748 1125197958 /nfs/dbraw/zinc/19/79/58/1125197958.db2.gz DFYWTSPBHTVADL-GJZGRUSLSA-N 0 1 299.336 3.631 20 0 CHADMN CC(C)CC[C@H]1CCCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000879164504 1125200233 /nfs/dbraw/zinc/20/02/33/1125200233.db2.gz CAVGQNVXAPSSFX-LLVKDONJSA-N 0 1 299.365 3.778 20 0 CHADMN CC(C)=CCC[C@@H](C)CCNCc1noc2c1COCC2 ZINC000897367316 1125205249 /nfs/dbraw/zinc/20/52/49/1125205249.db2.gz YZUIJVRUTHRZID-CQSZACIVSA-N 0 1 292.423 3.610 20 0 CHADMN C[C@H](NCc1nnc(-c2ccccc2)o1)[C@]12C[C@H]1CCCC2 ZINC000879262533 1125205366 /nfs/dbraw/zinc/20/53/66/1125205366.db2.gz FLRNUEVFZDGSCM-JOQOYGCGSA-N 0 1 297.402 3.795 20 0 CHADMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1ccc(C2CC2)cc1 ZINC000879373904 1125210790 /nfs/dbraw/zinc/21/07/90/1125210790.db2.gz DIODNXXEAQIWDM-APPDUMDISA-N 0 1 295.386 3.592 20 0 CHADMN Cc1cc(CN(C)Cc2cccc(O)c2)c(C)s1 ZINC000531379055 1125213401 /nfs/dbraw/zinc/21/34/01/1125213401.db2.gz TWWSZYMSGVJPTP-UHFFFAOYSA-N 0 1 261.390 3.703 20 0 CHADMN CC[C@H](NCc1ncc(C)s1)c1cccs1 ZINC000122922527 1125213442 /nfs/dbraw/zinc/21/34/42/1125213442.db2.gz QJRCEQYREKSJSI-JTQLQIEISA-N 0 1 252.408 3.754 20 0 CHADMN FC[C@@H](NC[C@H]1CCC2(CCC2)O1)c1ccc(F)cc1 ZINC000879662057 1125223675 /nfs/dbraw/zinc/22/36/75/1125223675.db2.gz PKPSAAIOTSLRGE-HUUCEWRRSA-N 0 1 281.346 3.528 20 0 CHADMN CC(C)c1ccc(-c2noc([C@H]3C[C@@H](C)CCN3)n2)cc1 ZINC000127938456 1125225746 /nfs/dbraw/zinc/22/57/46/1125225746.db2.gz XJKVVQPRHABIGN-SWLSCSKDSA-N 0 1 285.391 3.921 20 0 CHADMN CCc1noc(CC)c1CN[C@H]1CCc2cccc(C)c21 ZINC000925247035 1125226124 /nfs/dbraw/zinc/22/61/24/1125226124.db2.gz PNULELOTUHGJRN-INIZCTEOSA-N 0 1 284.403 3.885 20 0 CHADMN Cc1nsc(C)c1CN[C@H](C)c1cc2cnccc2o1 ZINC000879715572 1125226479 /nfs/dbraw/zinc/22/64/79/1125226479.db2.gz ZIQDAFJTVRWLII-SNVBAGLBSA-N 0 1 287.388 3.752 20 0 CHADMN COc1ccc(CNCc2ccc(Cl)o2)c(C)c1 ZINC000531698758 1125227611 /nfs/dbraw/zinc/22/76/11/1125227611.db2.gz ZVGQPAYJBFUZHS-UHFFFAOYSA-N 0 1 265.740 3.540 20 0 CHADMN C[C@H](NCCOc1ccc(C(C)(C)C)cc1)c1ccncn1 ZINC000453071395 1125228172 /nfs/dbraw/zinc/22/81/72/1125228172.db2.gz HGDSLOZKJJFRDO-AWEZNQCLSA-N 0 1 299.418 3.504 20 0 CHADMN COCc1csc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000826143354 1125252154 /nfs/dbraw/zinc/25/21/54/1125252154.db2.gz XSSNESURNYQJHI-CYBMUJFWSA-N 0 1 287.375 3.516 20 0 CHADMN CCc1cccc2cc(CN3C[C@H]4[C@@H](C3)C4(F)F)oc21 ZINC000826143244 1125252224 /nfs/dbraw/zinc/25/22/24/1125252224.db2.gz VINDNTPREJDEHQ-OKILXGFUSA-N 0 1 277.314 3.692 20 0 CHADMN FC[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000880235343 1125257754 /nfs/dbraw/zinc/25/77/54/1125257754.db2.gz OHVQPANEHSSZOR-CYBMUJFWSA-N 0 1 274.339 3.523 20 0 CHADMN C[C@H](c1ccccc1)N1CCN([C@@H](C)c2ccncc2)CC1 ZINC000880247271 1125259817 /nfs/dbraw/zinc/25/98/17/1125259817.db2.gz ASYHRGTVOUJPGX-SJORKVTESA-N 0 1 295.430 3.521 20 0 CHADMN FC[C@H]1CCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000880299641 1125262732 /nfs/dbraw/zinc/26/27/32/1125262732.db2.gz WEGOCFWXEWUAEO-GFCCVEGCSA-N 0 1 276.380 3.602 20 0 CHADMN FC[C@@H]1CCN(Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000880296071 1125262756 /nfs/dbraw/zinc/26/27/56/1125262756.db2.gz TVYIJJYNZSPFRE-NSHDSACASA-N 0 1 294.757 3.786 20 0 CHADMN FC[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000880292208 1125262836 /nfs/dbraw/zinc/26/28/36/1125262836.db2.gz NNRZVUXVRCNHQX-LLVKDONJSA-N 0 1 294.757 3.786 20 0 CHADMN FC[C@H]1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000880292208 1125262838 /nfs/dbraw/zinc/26/28/38/1125262838.db2.gz NNRZVUXVRCNHQX-LLVKDONJSA-N 0 1 294.757 3.786 20 0 CHADMN Cc1ccc(-c2nc(C[N@H+]3CC[C@H](CF)C3)cs2)cc1 ZINC000880292820 1125262879 /nfs/dbraw/zinc/26/28/79/1125262879.db2.gz WTOBDYINLRWXMB-CYBMUJFWSA-N 0 1 290.407 3.910 20 0 CHADMN Cc1ccc(-c2nc(CN3CC[C@H](CF)C3)cs2)cc1 ZINC000880292820 1125262881 /nfs/dbraw/zinc/26/28/81/1125262881.db2.gz WTOBDYINLRWXMB-CYBMUJFWSA-N 0 1 290.407 3.910 20 0 CHADMN FC[C@H]1CCN(Cc2ncc(-c3ccccc3)s2)C1 ZINC000880297435 1125263275 /nfs/dbraw/zinc/26/32/75/1125263275.db2.gz NYFMWEIJZLBXPO-GFCCVEGCSA-N 0 1 276.380 3.602 20 0 CHADMN Cc1cccc2c1CN(Cc1ccc(-n3cccn3)cc1)C2 ZINC001137754162 1125268306 /nfs/dbraw/zinc/26/83/06/1125268306.db2.gz POZWBMUWHUTTAK-UHFFFAOYSA-N 0 1 289.382 3.697 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@]12CCCO2)c1nc2ccccc2o1 ZINC000880506479 1125277734 /nfs/dbraw/zinc/27/77/34/1125277734.db2.gz RMEXPGQSXZDYPQ-MJEQTWJJSA-N 0 1 286.375 3.580 20 0 CHADMN CC1(C)CCC(O)(CNCc2c(F)cccc2Cl)CC1 ZINC000087046372 1125277809 /nfs/dbraw/zinc/27/78/09/1125277809.db2.gz RHKLSUGSRIEHLX-UHFFFAOYSA-N 0 1 299.817 3.900 20 0 CHADMN Cc1cc(CN2C[C@@H]3CC[C@H]2c2ccccc23)nc(C)n1 ZINC000880537534 1125279554 /nfs/dbraw/zinc/27/95/54/1125279554.db2.gz GVGPIGFIIBFRPW-KSSFIOAISA-N 0 1 279.387 3.528 20 0 CHADMN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2nc(-c3cccs3)no2)C1 ZINC000475726821 1125280700 /nfs/dbraw/zinc/28/07/00/1125280700.db2.gz LDAFKNBZGIVVFG-WOPDTQHZSA-N 0 1 291.420 3.665 20 0 CHADMN Cc1ccccc1-c1nc(C[N@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)no1 ZINC000475730809 1125282618 /nfs/dbraw/zinc/28/26/18/1125282618.db2.gz ASIZHGHTVNNMNE-BPLDGKMQSA-N 0 1 299.418 3.911 20 0 CHADMN Cc1ccccc1-c1nc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)no1 ZINC000475730809 1125282622 /nfs/dbraw/zinc/28/26/22/1125282622.db2.gz ASIZHGHTVNNMNE-BPLDGKMQSA-N 0 1 299.418 3.911 20 0 CHADMN CCSc1cccc(CN(C)Cc2cccc(=O)[nH]2)c1 ZINC000897392026 1125288923 /nfs/dbraw/zinc/28/89/23/1125288923.db2.gz KFMVOWLFSCICHY-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN C[C@H](c1nc(CCC(C)(C)C)no1)N1[C@H](C)CC[C@H]1C ZINC000508640379 1125290256 /nfs/dbraw/zinc/29/02/56/1125290256.db2.gz ZXDAGAXJKFISKY-JHJVBQTASA-N 0 1 279.428 3.982 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1)NCc1ncc(Cl)cn1 ZINC001168156403 1125291922 /nfs/dbraw/zinc/29/19/22/1125291922.db2.gz VJIYSJUIIMERDQ-JTQLQIEISA-N 0 1 296.201 3.504 20 0 CHADMN CCCc1cc(C(=O)N(C)Cc2ccc(C(C)C)cc2)n[nH]1 ZINC000032346018 1125296109 /nfs/dbraw/zinc/29/61/09/1125296109.db2.gz WYUITVOZLIIWJA-UHFFFAOYSA-N 0 1 299.418 3.758 20 0 CHADMN Cc1cc(CNC(C)(C)C(=O)Nc2ccccc2)cs1 ZINC000648450394 1125297313 /nfs/dbraw/zinc/29/73/13/1125297313.db2.gz HEGRSDUVXHUMLP-UHFFFAOYSA-N 0 1 288.416 3.563 20 0 CHADMN Cc1ncc(CN[C@@H](c2ccccc2C)C(C)C)o1 ZINC000666167171 1125305248 /nfs/dbraw/zinc/30/52/48/1125305248.db2.gz VVJYCORPVFNIAY-MRXNPFEDSA-N 0 1 258.365 3.778 20 0 CHADMN CC(C)CC[C@H]1CCC[C@H]1NCc1nnc(C(C)C)o1 ZINC000191347527 1125324835 /nfs/dbraw/zinc/32/48/35/1125324835.db2.gz AXDIJYYPZNRRNA-ZIAGYGMSSA-N 0 1 279.428 3.888 20 0 CHADMN CCCC1CCC(N(C)Cc2ncc(C)o2)CC1 ZINC000191426157 1125325039 /nfs/dbraw/zinc/32/50/39/1125325039.db2.gz UZULZUMTCAQEKA-UHFFFAOYSA-N 0 1 250.386 3.774 20 0 CHADMN C[C@H]1CCSCCN1Cc1ccc(Cl)s1 ZINC000191815155 1125327898 /nfs/dbraw/zinc/32/78/98/1125327898.db2.gz SUOGSBXVZADTBY-VIFPVBQESA-N 0 1 261.843 3.729 20 0 CHADMN Cc1cccc([C@H]2CCCCC[N@H+]2Cc2ncccn2)c1 ZINC000192031115 1125330354 /nfs/dbraw/zinc/33/03/54/1125330354.db2.gz DLGRLNZJOSVBAG-QGZVFWFLSA-N 0 1 281.403 3.902 20 0 CHADMN Cc1cccc([C@H]2CCCCCN2Cc2ncccn2)c1 ZINC000192031115 1125330356 /nfs/dbraw/zinc/33/03/56/1125330356.db2.gz DLGRLNZJOSVBAG-QGZVFWFLSA-N 0 1 281.403 3.902 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)c1ccccn1)[C@H]1CC1(F)F ZINC000666229614 1125334165 /nfs/dbraw/zinc/33/41/65/1125334165.db2.gz SQDKVUZUCKHJBD-BJJXKVORSA-N 0 1 288.341 3.804 20 0 CHADMN Cc1nc2c(n1C[C@@H]1CC[C@H](c3ccccc3)O1)CCCC2 ZINC000882174709 1125338868 /nfs/dbraw/zinc/33/88/68/1125338868.db2.gz XFJVDERKECWCGZ-QFBILLFUSA-N 0 1 296.414 3.991 20 0 CHADMN Cc1nc2c(n1C[C@@H]1CC[C@@H](c3ccccc3)O1)CCCC2 ZINC000882174708 1125338927 /nfs/dbraw/zinc/33/89/27/1125338927.db2.gz XFJVDERKECWCGZ-LPHOPBHVSA-N 0 1 296.414 3.991 20 0 CHADMN C[C@H](Cc1ccoc1)NCc1c(F)c(F)cc(F)c1F ZINC000648469222 1125347732 /nfs/dbraw/zinc/34/77/32/1125347732.db2.gz KATRHPRZSROBGY-MRVPVSSYSA-N 0 1 287.256 3.557 20 0 CHADMN c1nn(CC2CCC2)cc1CNCc1cccc(C2CC2)c1 ZINC000897430540 1125355569 /nfs/dbraw/zinc/35/55/69/1125355569.db2.gz WUYYRHFHCJZWIW-UHFFFAOYSA-N 0 1 295.430 3.850 20 0 CHADMN CCOc1ccc(CNCc2ccc(C)nc2)cc1Cl ZINC000341362379 1125358815 /nfs/dbraw/zinc/35/88/15/1125358815.db2.gz AWERTXWPXOBPBN-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN C[C@@H](N[C@@H]1CCc2c1c(F)ccc2F)c1ccc[nH]1 ZINC000760250152 1125359555 /nfs/dbraw/zinc/35/95/55/1125359555.db2.gz QOFRWPJKNNBDAO-YMTOWFKASA-N 0 1 262.303 3.631 20 0 CHADMN COc1cc(CNCc2ccoc2C)ccc1Cl ZINC000666389241 1125359651 /nfs/dbraw/zinc/35/96/51/1125359651.db2.gz WTVCTOPKNYZDSN-UHFFFAOYSA-N 0 1 265.740 3.540 20 0 CHADMN CC(C)c1c[nH]c(CN[C@H]2CCCc3ccccc32)n1 ZINC000882878746 1125360084 /nfs/dbraw/zinc/36/00/84/1125360084.db2.gz QHZMSXJLSXXCQY-HNNXBMFYSA-N 0 1 269.392 3.700 20 0 CHADMN CCCCCc1cc(C(=O)N2CC[C@H]2c2ccccc2)n[nH]1 ZINC000666400322 1125361265 /nfs/dbraw/zinc/36/12/65/1125361265.db2.gz HUNGAPVXCYGXHT-KRWDZBQOSA-N 0 1 297.402 3.730 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(C)cc2OC)cc1 ZINC000037199117 1125364001 /nfs/dbraw/zinc/36/40/01/1125364001.db2.gz ZDQUFZPLNNTPSY-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN Cc1csc([C@H](C)NC/C=C\c2ccccc2)n1 ZINC000213678691 1125364357 /nfs/dbraw/zinc/36/43/57/1125364357.db2.gz VNUUBNDSJUZXGA-XURPKSDJSA-N 0 1 258.390 3.816 20 0 CHADMN Cc1ccc(-c2nc(CN[C@H]3CS[C@H](C)C3)co2)cc1 ZINC000666418265 1125365222 /nfs/dbraw/zinc/36/52/22/1125365222.db2.gz VLZCEJAJSTZHQH-TZMCWYRMSA-N 0 1 288.416 3.634 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccc(C)cc2OC)c1 ZINC000037680612 1125368808 /nfs/dbraw/zinc/36/88/08/1125368808.db2.gz YTRXBIUGWKQHMD-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN CC(C)c1c[nH]c(CN[C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)n1 ZINC000883032320 1125368860 /nfs/dbraw/zinc/36/88/60/1125368860.db2.gz DIIHWMNHQSVFPU-JCGVRSQUSA-N 0 1 299.418 3.576 20 0 CHADMN CC(C)c1c[nH]c(CN[C@H](C)[C@H]2Oc3ccccc3[C@H]2C)n1 ZINC000883032323 1125369227 /nfs/dbraw/zinc/36/92/27/1125369227.db2.gz DIIHWMNHQSVFPU-VFVRVIDISA-N 0 1 299.418 3.576 20 0 CHADMN C[C@H](NCc1c(F)cccc1Cl)[C@@H]1CC1(F)F ZINC000666445719 1125369962 /nfs/dbraw/zinc/36/99/62/1125369962.db2.gz XJICMUSYBFEFJH-CBAPKCEASA-N 0 1 263.690 3.612 20 0 CHADMN C[C@H](NCc1csc(-c2ccccc2)n1)[C@@H]1CC1(F)F ZINC000666445052 1125370604 /nfs/dbraw/zinc/37/06/04/1125370604.db2.gz OLUMSMOYXYRCTB-GWCFXTLKSA-N 0 1 294.370 3.943 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cccc(Cl)c1N ZINC000883082667 1125370668 /nfs/dbraw/zinc/37/06/68/1125370668.db2.gz NQOXCFFGKMKRMW-NSHDSACASA-N 0 1 289.810 3.730 20 0 CHADMN CC[C@@H]1CCCN([C@H](C)C(=O)Nc2cc(F)ccc2C)C1 ZINC000248896848 1125371644 /nfs/dbraw/zinc/37/16/44/1125371644.db2.gz LRNGTXJSDKBOSE-ZIAGYGMSSA-N 0 1 292.398 3.583 20 0 CHADMN COCc1c(C)cc(C)c(CNCc2ccc(C)o2)c1C ZINC000883196315 1125376560 /nfs/dbraw/zinc/37/65/60/1125376560.db2.gz NLUNRYUGEQSFML-UHFFFAOYSA-N 0 1 287.403 3.949 20 0 CHADMN C/C=C\C[C@H]1CCCN(Cc2noc3c2CCCC3)C1 ZINC000626162379 1125380517 /nfs/dbraw/zinc/38/05/17/1125380517.db2.gz TUXCDWQIXDMUOV-SFAKSCPVSA-N 0 1 274.408 3.732 20 0 CHADMN C/C=C/C[C@H]1CCCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000626162169 1125382044 /nfs/dbraw/zinc/38/20/44/1125382044.db2.gz PRGLJAFOGMWGSQ-IBUXWKBASA-N 0 1 287.363 3.508 20 0 CHADMN C[C@H](NC[C@H]1CCC(C)(C)CO1)c1cccnc1Cl ZINC000883249652 1125384901 /nfs/dbraw/zinc/38/49/01/1125384901.db2.gz NCZABDPNYYCTCB-NWDGAFQWSA-N 0 1 282.815 3.591 20 0 CHADMN COC(=O)c1cc(CNC2(c3ccccc3)CCC2)oc1C ZINC000170907663 1125384986 /nfs/dbraw/zinc/38/49/86/1125384986.db2.gz GEFMMGLABFGZJB-UHFFFAOYSA-N 0 1 299.370 3.544 20 0 CHADMN C=C/C=C\CCN[C@H](C)c1nc(Br)cs1 ZINC000883268643 1125389495 /nfs/dbraw/zinc/38/94/95/1125389495.db2.gz PHZPSSGCPFACBP-XRVBUDJMSA-N 0 1 287.226 3.689 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)[C@H]1CCCc2sccc21 ZINC000532458952 1125392093 /nfs/dbraw/zinc/39/20/93/1125392093.db2.gz IKAHMXXDBGXMQK-LBPRGKRZSA-N 0 1 297.383 3.683 20 0 CHADMN CCCC[C@@H](CC)C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000043455926 1125393252 /nfs/dbraw/zinc/39/32/52/1125393252.db2.gz IVQRJIGCJWETGI-CYBMUJFWSA-N 0 1 255.402 3.532 20 0 CHADMN Cc1csc([C@@H](C)NC[C@@H]2CCC3(CCCC3)O2)n1 ZINC000229292844 1125393544 /nfs/dbraw/zinc/39/35/44/1125393544.db2.gz JSZBKXIMSCMHGA-OLZOCXBDSA-N 0 1 280.437 3.594 20 0 CHADMN C[C@@H](CCc1ccc(F)cc1)NC1(c2ncccn2)CCC1 ZINC000883313994 1125394245 /nfs/dbraw/zinc/39/42/45/1125394245.db2.gz SCMCRZPWNLJGIV-AWEZNQCLSA-N 0 1 299.393 3.606 20 0 CHADMN COc1cccc2c1OCCC[C@H]2N[C@@H](C)c1ccncc1 ZINC000883330555 1125396874 /nfs/dbraw/zinc/39/68/74/1125396874.db2.gz HDFKTFRLYJPMDM-XJKSGUPXSA-N 0 1 298.386 3.655 20 0 CHADMN Oc1ccc(Cl)c(CN[C@H]2CCc3ccccc32)c1 ZINC000883325278 1125397098 /nfs/dbraw/zinc/39/70/98/1125397098.db2.gz VYKFKKHAXUDOQL-INIZCTEOSA-N 0 1 273.763 3.823 20 0 CHADMN Cc1ccc(CN[C@@](C)(CO)c2ccccc2)c(Cl)c1 ZINC000235857337 1125402576 /nfs/dbraw/zinc/40/25/76/1125402576.db2.gz GRJPZMJRVFOOKX-KRWDZBQOSA-N 0 1 289.806 3.646 20 0 CHADMN F[C@H]1CCc2ccccc2[C@@H]1NCc1[nH]nc2ccccc21 ZINC000883382808 1125406765 /nfs/dbraw/zinc/40/67/65/1125406765.db2.gz NORLDTMYQRLEAZ-YJBOKZPZSA-N 0 1 295.361 3.678 20 0 CHADMN Clc1ccc(CNCc2cc[nH]c2)c(Cl)c1 ZINC000165211814 1125407196 /nfs/dbraw/zinc/40/71/96/1125407196.db2.gz MZFOJNAHNFRSEX-UHFFFAOYSA-N 0 1 255.148 3.611 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C)c(C)c1 ZINC000532549397 1125409846 /nfs/dbraw/zinc/40/98/46/1125409846.db2.gz BMDAVECFSIUXBZ-CQSZACIVSA-N 0 1 276.424 3.608 20 0 CHADMN CC(C)CCN(Cc1cnc(Cl)s1)C1CC1 ZINC000131846126 1125410262 /nfs/dbraw/zinc/41/02/62/1125410262.db2.gz UBGBFUXYMHDSGE-UHFFFAOYSA-N 0 1 258.818 3.807 20 0 CHADMN C[C@H](NCc1ccc(F)cc1)c1ccnc(Cl)c1 ZINC000131789014 1125410500 /nfs/dbraw/zinc/41/05/00/1125410500.db2.gz IJTKDPWQBQFLQE-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN Cc1ccccc1[C@@H](CO)N[C@H](C)c1cccc(F)c1 ZINC000532550481 1125410719 /nfs/dbraw/zinc/41/07/19/1125410719.db2.gz MWFIJOBBTSAHLE-CXAGYDPISA-N 0 1 273.351 3.518 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@@H](CO)c1ccccc1C ZINC000532550988 1125410974 /nfs/dbraw/zinc/41/09/74/1125410974.db2.gz LDBMZMCCPZQTQD-QAPCUYQASA-N 0 1 299.414 3.778 20 0 CHADMN Clc1cccc(-c2nnc(CN3CCCCCC3)o2)c1 ZINC000030824790 1125418955 /nfs/dbraw/zinc/41/89/55/1125418955.db2.gz GBLZPMWHZDNFBY-UHFFFAOYSA-N 0 1 291.782 3.766 20 0 CHADMN CO[C@]1(C)CCCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000348232500 1125422969 /nfs/dbraw/zinc/42/29/69/1125422969.db2.gz QCNXWFMVRCJPRA-IAQYHMDHSA-N 0 1 269.335 3.527 20 0 CHADMN CO[C@]1(C)CCCN([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000348232467 1125422985 /nfs/dbraw/zinc/42/29/85/1125422985.db2.gz PWCCTZWPSCWGQU-XHDPSFHLSA-N 0 1 269.335 3.527 20 0 CHADMN CC1(C)CCCC[C@H]1CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000332693030 1125428848 /nfs/dbraw/zinc/42/88/48/1125428848.db2.gz VQCQKCMEKSZOHL-KBPBESRZSA-N 0 1 289.423 3.510 20 0 CHADMN C[C@H](NC(=O)c1ccc(F)cc1O)c1ccc(Cl)s1 ZINC000228307786 1125429731 /nfs/dbraw/zinc/42/97/31/1125429731.db2.gz XTYRUYPHEJMHSQ-ZETCQYMHSA-N 0 1 299.754 3.737 20 0 CHADMN Cc1ncccc1CNC1(c2cccc(Cl)c2)CC1 ZINC000124415659 1125438873 /nfs/dbraw/zinc/43/88/73/1125438873.db2.gz KUOZXZXEWPXWEI-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN OCC[C@@H](NCc1cc2ccccc2o1)c1ccccc1 ZINC000124450877 1125439285 /nfs/dbraw/zinc/43/92/85/1125439285.db2.gz AUBDTTAKSABHLC-QGZVFWFLSA-N 0 1 281.355 3.646 20 0 CHADMN Cc1nc([C@H](C)NCCCOc2ccccc2F)cs1 ZINC000772855739 1131357877 /nfs/dbraw/zinc/35/78/77/1131357877.db2.gz AAOTZAFUGOHTIN-NSHDSACASA-N 0 1 294.395 3.710 20 0 CHADMN CCS[C@H](C)c1noc(CN(C)C(C2CC2)C2CC2)n1 ZINC000125074163 1125445481 /nfs/dbraw/zinc/44/54/81/1125445481.db2.gz GHQVSTPEMXWVRT-SNVBAGLBSA-N 0 1 295.452 3.504 20 0 CHADMN CCc1ccc(CNc2ccc3c(n2)CCC3)s1 ZINC000225461204 1125452106 /nfs/dbraw/zinc/45/21/06/1125452106.db2.gz NEOZSAZNEPPCTR-UHFFFAOYSA-N 0 1 258.390 3.806 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](NCc1ccnn1C)CCCO2 ZINC000126532474 1125455717 /nfs/dbraw/zinc/45/57/17/1125455717.db2.gz FUPLYRQUBGXUEG-KRWDZBQOSA-N 0 1 299.418 3.547 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1nc3c(s1)CCC3)[C@@H](C)C2 ZINC000779990115 1129182169 /nfs/dbraw/zinc/18/21/69/1129182169.db2.gz AUXBEBHBGIZQHT-KPZWWZAWSA-N 0 1 298.455 3.963 20 0 CHADMN CC(C)[N@@H+](Cc1ccnn1CCc1ccccc1)C1CCC1 ZINC000621717837 1129185465 /nfs/dbraw/zinc/18/54/65/1129185465.db2.gz PKLSSLVLFHZSEO-UHFFFAOYSA-N 0 1 297.446 3.889 20 0 CHADMN Cc1nccnc1C[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000621717852 1129185505 /nfs/dbraw/zinc/18/55/05/1129185505.db2.gz PXTUNHYWEHYBPH-YVEFUNNKSA-N 0 1 285.366 3.507 20 0 CHADMN CCc1ccc(C2=CCN(Cc3nccnc3C)CC2)cc1 ZINC000621722006 1129186848 /nfs/dbraw/zinc/18/68/48/1129186848.db2.gz IDKWUJDIZYVINQ-UHFFFAOYSA-N 0 1 293.414 3.637 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2ccccc2CCC(C)C)[nH]1 ZINC000621785179 1129197104 /nfs/dbraw/zinc/19/71/04/1129197104.db2.gz DHROMQAJWZMHHA-UHFFFAOYSA-N 0 1 285.391 3.867 20 0 CHADMN CC[C@H](CC1CCCCC1)C(=O)N(C)Cc1cn[nH]c1C ZINC000636067049 1129197996 /nfs/dbraw/zinc/19/79/96/1129197996.db2.gz LPJHUYUSFNCWSC-OAHLLOKOSA-N 0 1 291.439 3.673 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](N[C@@H]2C[C@H]2C)c2ccccc2)cc1 ZINC000671148169 1129200159 /nfs/dbraw/zinc/20/01/59/1129200159.db2.gz PCQYKDSUNCPVOX-OLMNPRSZSA-N 0 1 294.398 3.673 20 0 CHADMN CCC[C@@H](CN[C@@H](C)c1c(F)cccc1Cl)OC ZINC000386227857 1129206469 /nfs/dbraw/zinc/20/64/69/1129206469.db2.gz PHLYMZPDKOKNOT-QWRGUYRKSA-N 0 1 273.779 3.945 20 0 CHADMN Clc1ncc(CNCc2ccc(C3CC3)cc2)s1 ZINC000718146107 1129206595 /nfs/dbraw/zinc/20/65/95/1129206595.db2.gz RQRQDBGXSUMYGJ-UHFFFAOYSA-N 0 1 278.808 3.964 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H]2CCCc3ccccc32)c2nccn21 ZINC000294264392 1129214748 /nfs/dbraw/zinc/21/47/48/1129214748.db2.gz XMWZLCHDYAOUMP-UHOFOFEASA-N 0 1 267.376 3.556 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(F)cc2)C(C)(C)C)on1 ZINC000299060802 1129228251 /nfs/dbraw/zinc/22/82/51/1129228251.db2.gz LWBCDWARYXHCAC-OAHLLOKOSA-N 0 1 276.355 3.999 20 0 CHADMN CC[C@@H]1CC(=O)N(CN(C)[C@H](c2ccccc2)C(C)C)C1 ZINC000245885327 1129231184 /nfs/dbraw/zinc/23/11/84/1129231184.db2.gz WQKLFEXDPHCNCA-QAPCUYQASA-N 0 1 288.435 3.532 20 0 CHADMN Cc1cc(CN)oc1C(=O)N[C@@H](C)CCC1CCCCC1 ZINC000638007768 1129240479 /nfs/dbraw/zinc/24/04/79/1129240479.db2.gz OYMVSECIGGKYSE-ZDUSSCGKSA-N 0 1 292.423 3.526 20 0 CHADMN Cn1ccnc1[C@@H](C1CC1)N1CC=C(C(C)(C)C)CC1 ZINC000638181633 1129246986 /nfs/dbraw/zinc/24/69/86/1129246986.db2.gz KXDICXZONGWNAZ-OAHLLOKOSA-N 0 1 273.424 3.549 20 0 CHADMN Cc1csc(CNC[C@@H](OC(C)C)c2ccccc2)n1 ZINC000638341850 1129255467 /nfs/dbraw/zinc/25/54/67/1129255467.db2.gz CLEUXUDDDOFATM-OAHLLOKOSA-N 0 1 290.432 3.707 20 0 CHADMN CCCOCc1ccccc1CNCc1cc(C)ns1 ZINC000638382714 1129256071 /nfs/dbraw/zinc/25/60/71/1129256071.db2.gz ZNHBIXDKOGVBRH-UHFFFAOYSA-N 0 1 290.432 3.668 20 0 CHADMN Cc1cccnc1[C@@H](NCc1cccc(F)c1N)C(C)C ZINC000638632700 1129264116 /nfs/dbraw/zinc/26/41/16/1129264116.db2.gz SDNRHQWXFSUWOU-INIZCTEOSA-N 0 1 287.382 3.598 20 0 CHADMN Cc1cc(CN[C@H](c2ncccc2C)C(C)C)sn1 ZINC000638630103 1129264207 /nfs/dbraw/zinc/26/42/07/1129264207.db2.gz AARSPCJRANAKLS-AWEZNQCLSA-N 0 1 275.421 3.642 20 0 CHADMN CCc1ccc(C(C)(C)CNCc2ncc(C)o2)cc1 ZINC000638721183 1129267746 /nfs/dbraw/zinc/26/77/46/1129267746.db2.gz JJRLEFSUAYKEAS-UHFFFAOYSA-N 0 1 272.392 3.613 20 0 CHADMN CN1Cc2ccc(NCc3cc4ccccc4n3C)cc2C1 ZINC000638887550 1129273753 /nfs/dbraw/zinc/27/37/53/1129273753.db2.gz VXYPKECETUXCRK-UHFFFAOYSA-N 0 1 291.398 3.736 20 0 CHADMN Cc1scc(CN(C)[C@H](C)c2ccccn2)c1C ZINC000638923542 1129274695 /nfs/dbraw/zinc/27/46/95/1129274695.db2.gz WWMORQFBEBXXGO-GFCCVEGCSA-N 0 1 260.406 3.953 20 0 CHADMN CC[C@@H](NCc1cncn1C(C)C)c1ccccc1OC ZINC000090208006 1129274727 /nfs/dbraw/zinc/27/47/27/1129274727.db2.gz JGDVCXVDBVPHRW-MRXNPFEDSA-N 0 1 287.407 3.714 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cc(C3CC3)no1)[C@H](C)C2 ZINC000638965144 1129275745 /nfs/dbraw/zinc/27/57/45/1129275745.db2.gz SUINPGKORGLAAW-KZULUSFZSA-N 0 1 282.387 3.884 20 0 CHADMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1cccc(F)c1N ZINC000638968058 1129275862 /nfs/dbraw/zinc/27/58/62/1129275862.db2.gz FXQRFEANURREPO-MWLCHTKSSA-N 0 1 290.304 3.571 20 0 CHADMN CC[C@H](C)[C@H](CN1CCC[C@@H]1c1csc(C)n1)OC ZINC000639060334 1129279036 /nfs/dbraw/zinc/27/90/36/1129279036.db2.gz OCVYPZWXLQQDQT-GLQYFDAESA-N 0 1 282.453 3.650 20 0 CHADMN Cc1noc([C@H](C)N[C@H](C)[C@@H]2CCC(C)=C(C)C2)n1 ZINC000639098557 1129280582 /nfs/dbraw/zinc/28/05/82/1129280582.db2.gz QIYPKHVSAVQSRX-MBNYWOFBSA-N 0 1 263.385 3.554 20 0 CHADMN Cc1ccc(-c2nnc(CN3C[C@@H]4CCCC[C@@]43C)o2)cc1 ZINC000626105363 1129280829 /nfs/dbraw/zinc/28/08/29/1129280829.db2.gz CVNPRNPSSJJUFX-YJBOKZPZSA-N 0 1 297.402 3.810 20 0 CHADMN Fc1cc(F)c2c(c1)CN(CCc1cccs1)CC2 ZINC000766193143 1129282933 /nfs/dbraw/zinc/28/29/33/1129282933.db2.gz OROLKTWDSNWUFY-UHFFFAOYSA-N 0 1 279.355 3.627 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1noc2c1CCCC2 ZINC000177542134 1129284001 /nfs/dbraw/zinc/28/40/01/1129284001.db2.gz YGEXMBMTTUVKJK-GDBMZVCRSA-N 0 1 296.414 3.931 20 0 CHADMN CN(C)Cc1cc(NCCC2CCOCC2)ccc1Cl ZINC000639134573 1129285593 /nfs/dbraw/zinc/28/55/93/1129285593.db2.gz OPGUXDPSZSRQII-UHFFFAOYSA-N 0 1 296.842 3.630 20 0 CHADMN Cc1cnc(CNCC2(c3ccc(C)c(C)c3)CCC2)o1 ZINC000639133564 1129285635 /nfs/dbraw/zinc/28/56/35/1129285635.db2.gz PLVZZNNIVHHXGI-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN FC(F)c1ccc(CN2CCC[C@H]2c2ccncc2)cn1 ZINC000639168757 1129288261 /nfs/dbraw/zinc/28/82/61/1129288261.db2.gz XWGAZJREGGERBD-HNNXBMFYSA-N 0 1 289.329 3.751 20 0 CHADMN CCN(Cc1ccc(C(F)F)nc1)[C@@H](C)c1cccnc1 ZINC000639177075 1129289525 /nfs/dbraw/zinc/28/95/25/1129289525.db2.gz AJIHAZQUSRZOQV-LBPRGKRZSA-N 0 1 291.345 3.997 20 0 CHADMN CC1(C)CN(Cc2ccc(C(F)F)nc2)[C@H]1C1CC1 ZINC000639190562 1129290188 /nfs/dbraw/zinc/29/01/88/1129290188.db2.gz NQYNPIOLJYORKZ-ZDUSSCGKSA-N 0 1 266.335 3.640 20 0 CHADMN Cn1c(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc2ccccc21 ZINC000639195536 1129291090 /nfs/dbraw/zinc/29/10/90/1129291090.db2.gz DZIBOWLVQHZHLC-CVEARBPZSA-N 0 1 290.357 3.655 20 0 CHADMN Cc1cnc(CNC[C@@H]2CCC[C@@H]2c2ccccc2)o1 ZINC000639218952 1129294074 /nfs/dbraw/zinc/29/40/74/1129294074.db2.gz KBBQVMWURUFVPB-JKSUJKDBSA-N 0 1 270.376 3.657 20 0 CHADMN Fc1ccc2oc(CN3C[C@H](C4CC4)[C@H]3C3CC3)nc2c1 ZINC000639232745 1129295512 /nfs/dbraw/zinc/29/55/12/1129295512.db2.gz OINRQEBXQILEIY-CXAGYDPISA-N 0 1 286.350 3.587 20 0 CHADMN C[C@H](NC1CCC(=C2CCC2)CC1)c1csnn1 ZINC000639267615 1129298227 /nfs/dbraw/zinc/29/82/27/1129298227.db2.gz ZHSPFUVKIWENQD-JTQLQIEISA-N 0 1 263.410 3.612 20 0 CHADMN CC(C)CCCCCC(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795450643 1129298744 /nfs/dbraw/zinc/29/87/44/1129298744.db2.gz YRVIJQVUNGJOMV-UHFFFAOYSA-N 0 1 281.400 3.578 20 0 CHADMN CC(C)CCCCCC(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795450643 1129298748 /nfs/dbraw/zinc/29/87/48/1129298748.db2.gz YRVIJQVUNGJOMV-UHFFFAOYSA-N 0 1 281.400 3.578 20 0 CHADMN Cc1ccccc1C1(N[C@@H](c2nccn2C)C2CC2)CCC1 ZINC000639290955 1129299503 /nfs/dbraw/zinc/29/95/03/1129299503.db2.gz YFEPKMIKQLRGKO-QGZVFWFLSA-N 0 1 295.430 3.849 20 0 CHADMN Cc1cc(C)cc(CNCc2nc3ccccc3nc2C)c1 ZINC000639309323 1129301292 /nfs/dbraw/zinc/30/12/92/1129301292.db2.gz KTEYXLCYEYUXSQ-UHFFFAOYSA-N 0 1 291.398 3.845 20 0 CHADMN Cc1cccc([C@@H](O)CN[C@H](C)c2c(F)cccc2F)c1 ZINC000090521139 1129303526 /nfs/dbraw/zinc/30/35/26/1129303526.db2.gz TURPVXCNDSCANU-WBMJQRKESA-N 0 1 291.341 3.657 20 0 CHADMN CC[C@](C)(NCc1ccns1)c1ccc(F)cc1 ZINC000639359195 1129306224 /nfs/dbraw/zinc/30/62/24/1129306224.db2.gz IUPJSJMYPSNSMX-AWEZNQCLSA-N 0 1 264.369 3.697 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN2CC(c3ccccc3)C2)o1 ZINC000639361865 1129306619 /nfs/dbraw/zinc/30/66/19/1129306619.db2.gz VSTUCHRICCCZCL-UHFFFAOYSA-N 0 1 293.370 3.578 20 0 CHADMN CC[C@](C)(NCc1cnc(OC)s1)c1ccc(F)cc1 ZINC000639360079 1129306690 /nfs/dbraw/zinc/30/66/90/1129306690.db2.gz SQSNXTVSDCASTF-HNNXBMFYSA-N 0 1 294.395 3.706 20 0 CHADMN C/C(=C/c1ccccc1C(F)(F)F)CNCc1ncc[nH]1 ZINC000639371889 1129307088 /nfs/dbraw/zinc/30/70/88/1129307088.db2.gz LPHJBBQNFPGSMP-FLIBITNWSA-N 0 1 295.308 3.622 20 0 CHADMN O[C@@H]1CCN(Cc2ccccc2F)[C@H](c2ccccc2)C1 ZINC000639365994 1129307101 /nfs/dbraw/zinc/30/71/01/1129307101.db2.gz HVIKAHUGYKAATE-AEFFLSMTSA-N 0 1 285.362 3.524 20 0 CHADMN FCCC1CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000639376467 1129308989 /nfs/dbraw/zinc/30/89/89/1129308989.db2.gz KYWWWKRYDYRMNV-UHFFFAOYSA-N 0 1 287.382 3.648 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cccc3c2OCCO3)c1C ZINC000734511990 1129311659 /nfs/dbraw/zinc/31/16/59/1129311659.db2.gz LGWOLBVUYNEFJA-OAHLLOKOSA-N 0 1 297.398 3.925 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN(Cc2cc[nH]c(=O)c2)C2CC2)o1 ZINC000639433472 1129314734 /nfs/dbraw/zinc/31/47/34/1129314734.db2.gz NZNXIAZEDWLYPA-LRDDRELGSA-N 0 1 298.386 3.668 20 0 CHADMN COC1CCC(=Nc2c3nsnc3ccc2Cl)CC1 ZINC001212879911 1129315244 /nfs/dbraw/zinc/31/52/44/1129315244.db2.gz MHROIQVAIBVNTI-SECBINFHSA-N 0 1 295.795 3.839 20 0 CHADMN Cc1cc(C)c(CN(C)[C@H](C)c2ccco2)c(C)n1 ZINC000639461624 1129317125 /nfs/dbraw/zinc/31/71/25/1129317125.db2.gz GQSZHOUFXBNNHJ-CQSZACIVSA-N 0 1 258.365 3.793 20 0 CHADMN C[C@H](c1ccco1)N(C)Cc1cccc2c1CCOC2 ZINC000639462276 1129317698 /nfs/dbraw/zinc/31/76/98/1129317698.db2.gz UJEWAUBJCIONEI-CYBMUJFWSA-N 0 1 271.360 3.545 20 0 CHADMN COc1cccc(-c2nc(C[N@H+]3CC[C@@H](C)[C@H]3C)co2)c1 ZINC000639510311 1129320774 /nfs/dbraw/zinc/32/07/74/1129320774.db2.gz ALVAQJQHSKYANC-CHWSQXEVSA-N 0 1 286.375 3.581 20 0 CHADMN CCCCCOc1ccc([C@@H](C)NCC(C)=O)cc1OC ZINC000639562231 1129323645 /nfs/dbraw/zinc/32/36/45/1129323645.db2.gz UBFKRSAQXPPOBA-CQSZACIVSA-N 0 1 293.407 3.504 20 0 CHADMN CC(C)(C)C1CCN(C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000734835651 1129323996 /nfs/dbraw/zinc/32/39/96/1129323996.db2.gz DFDFYOKCEMOOHE-INIZCTEOSA-N 0 1 297.389 3.756 20 0 CHADMN CCC[C@H](NCC(C)=O)c1cccc(C(F)(F)F)c1 ZINC000639581879 1129324803 /nfs/dbraw/zinc/32/48/03/1129324803.db2.gz SUEVRTLTCOIVKV-ZDUSSCGKSA-N 0 1 273.298 3.725 20 0 CHADMN CC(C)N(Cc1nc(C2CCC2)no1)C1CC(C)(C)C1 ZINC000639672006 1129329104 /nfs/dbraw/zinc/32/91/04/1129329104.db2.gz LNHNTJKNQZAMJK-UHFFFAOYSA-N 0 1 277.412 3.736 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N1CCN(C2CCC2)CC1 ZINC000735056227 1129330025 /nfs/dbraw/zinc/33/00/25/1129330025.db2.gz YFTXENLUEYJEPM-INIZCTEOSA-N 0 1 294.483 3.680 20 0 CHADMN CC1(C)CN(Cc2cccc3c2CCOC3)[C@H]1c1ccco1 ZINC000639927540 1129340275 /nfs/dbraw/zinc/34/02/75/1129340275.db2.gz FQLMNKISQHOPSQ-SFHVURJKSA-N 0 1 297.398 3.935 20 0 CHADMN FCCC1CCN(Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000639989936 1129343743 /nfs/dbraw/zinc/34/37/43/1129343743.db2.gz QGABIBUHAJIYOW-UHFFFAOYSA-N 0 1 290.304 3.672 20 0 CHADMN CC1(F)CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000640069947 1129347857 /nfs/dbraw/zinc/34/78/57/1129347857.db2.gz PBXUJTVYAYQCCQ-UHFFFAOYSA-N 0 1 274.339 3.666 20 0 CHADMN Cc1cccc(F)c1CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000766213399 1129347851 /nfs/dbraw/zinc/34/78/51/1129347851.db2.gz OXRQCYHFIIOJGK-ZDUSSCGKSA-N 0 1 275.371 3.762 20 0 CHADMN Cc1nc2ccc(NC(=O)/C=C\C3CCCCC3)cc2[nH]1 ZINC000735466959 1129347925 /nfs/dbraw/zinc/34/79/25/1129347925.db2.gz VOWHEPMUZQHMHK-YFHOEESVSA-N 0 1 283.375 3.946 20 0 CHADMN CC(C)c1nnc(CN2CC[C@]2(C)C2CCCCC2)o1 ZINC000640219892 1129351694 /nfs/dbraw/zinc/35/16/94/1129351694.db2.gz OEHLRNVVSXBURQ-MRXNPFEDSA-N 0 1 277.412 3.738 20 0 CHADMN CCc1n[nH]cc1-c1nc(-c2ccc(C)cc2Cl)no1 ZINC001212885730 1129361583 /nfs/dbraw/zinc/36/15/83/1129361583.db2.gz WWEBBKCSVBJTKP-UHFFFAOYSA-N 0 1 288.738 3.651 20 0 CHADMN CC[C@@H](C(=O)OCc1cc2ccccc2o1)N(CC)CC ZINC000735994692 1129362442 /nfs/dbraw/zinc/36/24/42/1129362442.db2.gz FCQHWSPJRLJWIB-HNNXBMFYSA-N 0 1 289.375 3.596 20 0 CHADMN C[C@@H](CN(C)C(=O)c1cc(C(F)F)[nH]n1)C1CCCCC1 ZINC000640726957 1129366177 /nfs/dbraw/zinc/36/61/77/1129366177.db2.gz NBENTNWABHCTRR-JTQLQIEISA-N 0 1 299.365 3.636 20 0 CHADMN C[C@@H](N[C@H]1CCCc2cccnc21)c1cccc(O)c1 ZINC000091661006 1129367664 /nfs/dbraw/zinc/36/76/64/1129367664.db2.gz HVCJEVJKCQEARL-WBMJQRKESA-N 0 1 268.360 3.515 20 0 CHADMN Cc1cccc([C@H](C)OC(=O)[C@@H](C)N2CCCCCC2)c1 ZINC000736027751 1129368192 /nfs/dbraw/zinc/36/81/92/1129368192.db2.gz CXLULQMHJNHKRA-CVEARBPZSA-N 0 1 289.419 3.864 20 0 CHADMN C[C@@H]1CCC[C@H](CCn2cc([C@@H](N)c3ccccc3)nn2)C1 ZINC000641140353 1129374726 /nfs/dbraw/zinc/37/47/26/1129374726.db2.gz AEJIJKAJCKIQEH-RKVPGOIHSA-N 0 1 298.434 3.543 20 0 CHADMN CC(C)c1n[nH]c(COC(=O)c2cccc(C3CCC3)c2)n1 ZINC000795577054 1129374980 /nfs/dbraw/zinc/37/49/80/1129374980.db2.gz HVSNMZBBBBILTF-UHFFFAOYSA-N 0 1 299.374 3.553 20 0 CHADMN CC(C)c1nc(COC(=O)c2cccc(C3CCC3)c2)n[nH]1 ZINC000795577054 1129374982 /nfs/dbraw/zinc/37/49/82/1129374982.db2.gz HVSNMZBBBBILTF-UHFFFAOYSA-N 0 1 299.374 3.553 20 0 CHADMN COCc1ccc(-c2cc3nc[nH]c3c(C)c2)cc1 ZINC001240951083 1129384969 /nfs/dbraw/zinc/38/49/69/1129384969.db2.gz SLUGIIRLWHLIQR-UHFFFAOYSA-N 0 1 252.317 3.685 20 0 CHADMN FC(F)(F)c1cccnc1CN1CCCC2(CC2)CC1 ZINC000626115608 1129386173 /nfs/dbraw/zinc/38/61/73/1129386173.db2.gz YZZUFRGZRUYJPJ-UHFFFAOYSA-N 0 1 284.325 3.867 20 0 CHADMN CCCNc1ccc(CNCc2cnc(C3CC3)o2)cc1 ZINC000641751237 1129389533 /nfs/dbraw/zinc/38/95/33/1129389533.db2.gz RQUZHCSEGOHANC-UHFFFAOYSA-N 0 1 285.391 3.664 20 0 CHADMN CCC(C)(C)c1ccc(CNCc2ccncc2N)cc1 ZINC000641740786 1129389708 /nfs/dbraw/zinc/38/97/08/1129389708.db2.gz CWBZICVADQWHTM-UHFFFAOYSA-N 0 1 283.419 3.641 20 0 CHADMN CC(C)(C)c1cnc(CNc2ccc3c[nH]nc3c2)s1 ZINC000641782442 1129392786 /nfs/dbraw/zinc/39/27/86/1129392786.db2.gz LKPNMNJOIXJTPM-UHFFFAOYSA-N 0 1 286.404 3.929 20 0 CHADMN CCCCC[C@@H](NC(=O)NCc1cc(C)[nH]n1)C(C)(C)C ZINC000738484354 1129394829 /nfs/dbraw/zinc/39/48/29/1129394829.db2.gz LXLDRPUTFBOULH-CQSZACIVSA-N 0 1 294.443 3.512 20 0 CHADMN CC(C)CCN(CC(=O)Nc1cccc(Cl)c1)C1CC1 ZINC000641976999 1129399410 /nfs/dbraw/zinc/39/94/10/1129399410.db2.gz LWPFQBFTGPGSIU-UHFFFAOYSA-N 0 1 294.826 3.789 20 0 CHADMN CC[C@H]1CCN1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000795649721 1129405910 /nfs/dbraw/zinc/40/59/10/1129405910.db2.gz QIHCHBBCFZAMAW-GXFFZTMASA-N 0 1 274.191 3.511 20 0 CHADMN C[C@@H](N(C)Cc1nc(-c2cccs2)no1)C(C)(C)C ZINC000642095278 1129406041 /nfs/dbraw/zinc/40/60/41/1129406041.db2.gz UYHJZCHCHBBVHL-SNVBAGLBSA-N 0 1 279.409 3.665 20 0 CHADMN Cc1cc(C)c(CNCc2nc3c(s2)CCC3)c(C)c1 ZINC000093066485 1129416482 /nfs/dbraw/zinc/41/64/82/1129416482.db2.gz BTIJICCVQKDDCT-UHFFFAOYSA-N 0 1 286.444 3.847 20 0 CHADMN Cc1ccc(-c2nc(CN3C4CCC3CC4)co2)cc1 ZINC000642525354 1129418561 /nfs/dbraw/zinc/41/85/61/1129418561.db2.gz JVRCGVRRROJMIW-UHFFFAOYSA-N 0 1 268.360 3.777 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCCN(C)Cc1ccsc1 ZINC000642524824 1129419402 /nfs/dbraw/zinc/41/94/02/1129419402.db2.gz XMZHOPDFWZPPMN-UKRRQHHQSA-N 0 1 267.438 3.775 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN[C@H](CCO)c2cccs2)o1 ZINC000740900374 1129423513 /nfs/dbraw/zinc/42/35/13/1129423513.db2.gz OPJIPGJHESPYCF-MRVWCRGKSA-N 0 1 291.416 3.678 20 0 CHADMN Cc1cc(COC(=O)[C@H](C)N2CCCCCC2)c(C)s1 ZINC000741031794 1129426318 /nfs/dbraw/zinc/42/63/18/1129426318.db2.gz XXNKOPQXPVDRGS-ZDUSSCGKSA-N 0 1 295.448 3.673 20 0 CHADMN C[C@@H](C(=O)OCc1ccc(Cl)cc1)N1[C@H](C)CC[C@H]1C ZINC000741024231 1129426436 /nfs/dbraw/zinc/42/64/36/1129426436.db2.gz RZJWWPYEFVCHIZ-UPJWGTAASA-N 0 1 295.810 3.645 20 0 CHADMN C[C@@H](C(=O)OCc1cccc(Cl)c1)N1[C@H](C)CC[C@H]1C ZINC000741018396 1129426459 /nfs/dbraw/zinc/42/64/59/1129426459.db2.gz FLERALBDGPIYQT-UPJWGTAASA-N 0 1 295.810 3.645 20 0 CHADMN C[C@H](C(=O)OCc1cccc(Cl)c1)N1[C@H](C)CC[C@@H]1C ZINC000741018394 1129426470 /nfs/dbraw/zinc/42/64/70/1129426470.db2.gz FLERALBDGPIYQT-FRRDWIJNSA-N 0 1 295.810 3.645 20 0 CHADMN CC[C@H](C(=O)OCc1ccc(Cl)s1)N(CC)CC ZINC000741032953 1129426496 /nfs/dbraw/zinc/42/64/96/1129426496.db2.gz LUSSBDTVLFTLEG-LLVKDONJSA-N 0 1 289.828 3.565 20 0 CHADMN C[C@H](OC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)c1ccccc1F ZINC000741016108 1129426565 /nfs/dbraw/zinc/42/65/65/1129426565.db2.gz FXBGOOIXWPUDMM-XUXIUFHCSA-N 0 1 293.382 3.691 20 0 CHADMN Cc1ccc(C)c(COC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)c1 ZINC000741023422 1129426714 /nfs/dbraw/zinc/42/67/14/1129426714.db2.gz MOBNDCVTNPKKGL-JYJNAYRXSA-N 0 1 289.419 3.608 20 0 CHADMN C[C@H](C(=O)O[C@@H](C)c1cccc(F)c1)N1CCCCCC1 ZINC000741028216 1129427453 /nfs/dbraw/zinc/42/74/53/1129427453.db2.gz DXTQQGVPJHPXTE-KGLIPLIRSA-N 0 1 293.382 3.694 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N(C)CCC(=O)C(C)(C)C ZINC000741156846 1129430146 /nfs/dbraw/zinc/43/01/46/1129430146.db2.gz IEUIAWMFCXTISD-NSHDSACASA-N 0 1 283.362 3.963 20 0 CHADMN Cc1cc(C(=O)Nc2ccc3nc(C)[nH]c3c2)c(C)s1 ZINC000643247329 1129433997 /nfs/dbraw/zinc/43/39/97/1129433997.db2.gz XZGSLSHPCFYKHT-UHFFFAOYSA-N 0 1 285.372 3.802 20 0 CHADMN CC[C@]1(C)C[C@H]1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179827330 1129434068 /nfs/dbraw/zinc/43/40/68/1129434068.db2.gz XBHRVLUXNRMOOV-BJOHPYRUSA-N 0 1 293.317 3.875 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(C3CC3)c2)nc1 ZINC000643292766 1129436358 /nfs/dbraw/zinc/43/63/58/1129436358.db2.gz VNKCRSAAWIWQOB-UHFFFAOYSA-N 0 1 266.388 3.899 20 0 CHADMN CCc1cccc(F)c1CNCc1ccc2cnn(C)c2c1 ZINC000643336841 1129439411 /nfs/dbraw/zinc/43/94/11/1129439411.db2.gz WBAHMFWWSDSXCK-UHFFFAOYSA-N 0 1 297.377 3.565 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000179973408 1129440581 /nfs/dbraw/zinc/44/05/81/1129440581.db2.gz LFVHDJAVTOWJBG-ZJUUUORDSA-N 0 1 263.772 3.783 20 0 CHADMN O=C(Nc1cnn(-c2ccncc2)c1)C1CCCCCCC1 ZINC000741552439 1129443324 /nfs/dbraw/zinc/44/33/24/1129443324.db2.gz DQJBYGFRMHPSAD-UHFFFAOYSA-N 0 1 298.390 3.566 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000180008711 1129444044 /nfs/dbraw/zinc/44/40/44/1129444044.db2.gz WTXTXKJIBYDEFO-ZYHUDNBSSA-N 0 1 269.348 3.876 20 0 CHADMN CCCN(CCC)c1cc2cc(OC)c(OC)cc2cn1 ZINC001155182752 1129446669 /nfs/dbraw/zinc/44/66/69/1129446669.db2.gz XATAQGFFMMDBIP-UHFFFAOYSA-N 0 1 288.391 3.878 20 0 CHADMN Clc1ccc(CNc2nccn2Cc2ccccc2)cn1 ZINC000795802478 1129448894 /nfs/dbraw/zinc/44/88/94/1129448894.db2.gz DOIABKGIPIAOHV-UHFFFAOYSA-N 0 1 298.777 3.592 20 0 CHADMN O[C@H](CCN(Cc1ccccc1F)C1CC1)c1ccccc1 ZINC000795849388 1129452840 /nfs/dbraw/zinc/45/28/40/1129452840.db2.gz XIMPLZNZNRBKAY-LJQANCHMSA-N 0 1 299.389 3.914 20 0 CHADMN CCSCCN1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000741783460 1129453070 /nfs/dbraw/zinc/45/30/70/1129453070.db2.gz AKODXHWNKVUZNR-IJEWVQPXSA-N 0 1 279.449 3.590 20 0 CHADMN CCCCCCN1CCO[C@H](c2ccccc2C)C1 ZINC000741801699 1129454775 /nfs/dbraw/zinc/45/47/75/1129454775.db2.gz KHEFFJFQADXOLC-KRWDZBQOSA-N 0 1 261.409 3.949 20 0 CHADMN Fc1cnc(Cl)c(CN2CCC[C@@H]3CCC[C@@H]32)c1 ZINC001138893513 1129455371 /nfs/dbraw/zinc/45/53/71/1129455371.db2.gz GSMYSPFNBBEPOF-GWCFXTLKSA-N 0 1 268.763 3.639 20 0 CHADMN O[C@H](CCN1CC[C@](F)(c2ccccc2)C1)c1ccccc1 ZINC000796064777 1129464511 /nfs/dbraw/zinc/46/45/11/1129464511.db2.gz YYPQLJBJEDBWNL-RTBURBONSA-N 0 1 299.389 3.681 20 0 CHADMN O=C(NOCc1ccccc1)[C@H]1CCSc2ccccc21 ZINC000742037161 1129466411 /nfs/dbraw/zinc/46/64/11/1129466411.db2.gz VCAHOXQSLVACCS-HNNXBMFYSA-N 0 1 299.395 3.514 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2c3ccccc3CC[C@@H]2C)o1 ZINC000644560306 1129470325 /nfs/dbraw/zinc/47/03/25/1129470325.db2.gz UOHAUDAYGVQCRZ-SGTLLEGYSA-N 0 1 284.403 3.959 20 0 CHADMN Cc1cccc(-c2noc(CN3CCC(C4CC4)CC3)n2)c1 ZINC000644719260 1129476608 /nfs/dbraw/zinc/47/66/08/1129476608.db2.gz RLVBNYFYGWSYBH-UHFFFAOYSA-N 0 1 297.402 3.667 20 0 CHADMN CCC/C(C)=C\C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000742400758 1129478057 /nfs/dbraw/zinc/47/80/57/1129478057.db2.gz KCTFICGQCLHVBA-ZSMUJPCHSA-N 0 1 292.423 3.525 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)/C=C\C3CC3)cc2[nH]1 ZINC000742500891 1129482423 /nfs/dbraw/zinc/48/24/23/1129482423.db2.gz IYECWMQRFVUUAI-TWGQIWQCSA-N 0 1 283.375 3.765 20 0 CHADMN CCOC1(CNc2cc[nH+]c3c([O-])cccc23)CCCC1 ZINC000645048017 1129485443 /nfs/dbraw/zinc/48/54/43/1129485443.db2.gz AYSLYKCWNQPODS-UHFFFAOYSA-N 0 1 286.375 3.702 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1ccc(C(C)C)nc1C ZINC000645109829 1129487940 /nfs/dbraw/zinc/48/79/40/1129487940.db2.gz DZKQYBBPHONMNB-GFCCVEGCSA-N 0 1 287.407 3.969 20 0 CHADMN Oc1cccc(CNCCOC2CCCCCC2)c1Cl ZINC000645156471 1129489219 /nfs/dbraw/zinc/48/92/19/1129489219.db2.gz BKCIMVQFSNPHCQ-UHFFFAOYSA-N 0 1 297.826 3.875 20 0 CHADMN CCc1nocc1CNCc1ccc(OC(C)(C)C)cc1 ZINC000645151786 1129489287 /nfs/dbraw/zinc/48/92/87/1129489287.db2.gz GGCAWPQKFVKIHK-UHFFFAOYSA-N 0 1 288.391 3.704 20 0 CHADMN COCC1(C[NH2+]Cc2cccc([O-])c2Cl)CCCCC1 ZINC000645181355 1129490962 /nfs/dbraw/zinc/49/09/62/1129490962.db2.gz ONUYUXWHCPADMJ-UHFFFAOYSA-N 0 1 297.826 3.732 20 0 CHADMN c1c2ccccc2[nH]c1CNc1cc2c(cn1)CCC2 ZINC000645212678 1129491678 /nfs/dbraw/zinc/49/16/78/1129491678.db2.gz AZWPBAKBURFSAO-UHFFFAOYSA-N 0 1 263.344 3.664 20 0 CHADMN CC(C)C1CCC(NCc2ncn(-c3ccccc3)n2)CC1 ZINC000645219924 1129492323 /nfs/dbraw/zinc/49/23/23/1129492323.db2.gz GLDZPTULCDPALT-UHFFFAOYSA-N 0 1 298.434 3.572 20 0 CHADMN CCc1nn(C)cc1CN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000180565196 1129492821 /nfs/dbraw/zinc/49/28/21/1129492821.db2.gz FNZFKDAVABVOAR-CZUORRHYSA-N 0 1 287.407 3.549 20 0 CHADMN C[C@H](O)c1ccc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)cc1 ZINC000250671760 1129493117 /nfs/dbraw/zinc/49/31/17/1129493117.db2.gz XUQIMIPOZBFKDN-GDZNZVCISA-N 0 1 285.387 3.746 20 0 CHADMN CCC(=O)CCN(Cc1ccccc1Cl)CC1CC1 ZINC000796260289 1129503087 /nfs/dbraw/zinc/50/30/87/1129503087.db2.gz LMBCDFATRPLSSI-UHFFFAOYSA-N 0 1 279.811 3.921 20 0 CHADMN CCCN(Cc1csc(Br)n1)[C@@H](C)CC ZINC001137577145 1131378906 /nfs/dbraw/zinc/37/89/06/1131378906.db2.gz OZSNMNWFYSAPGQ-VIFPVBQESA-N 0 1 291.258 3.916 20 0 CHADMN COc1c(C)cnc(CNCc2ccc3occc3c2)c1C ZINC000796283344 1129513748 /nfs/dbraw/zinc/51/37/48/1129513748.db2.gz JYYMBSOXFBEPHG-UHFFFAOYSA-N 0 1 296.370 3.743 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cccc(SC)c1 ZINC001241315807 1129515157 /nfs/dbraw/zinc/51/51/57/1129515157.db2.gz MJNAXNSKMCJDIZ-UHFFFAOYSA-N 0 1 270.357 3.960 20 0 CHADMN Cc1cc(C)c(-c2nc[nH]c3nc(=S)sc2-3)c(C)c1 ZINC001239548084 1131379230 /nfs/dbraw/zinc/37/92/30/1131379230.db2.gz QEMCXCGJIOVUNB-UHFFFAOYSA-N 0 1 287.413 3.967 20 0 CHADMN Cc1ccc([C@@H]2CCCN2CN2C(=O)CC23CCC3)cc1C ZINC000743356773 1129520565 /nfs/dbraw/zinc/52/05/65/1129520565.db2.gz MBBQJEBQKHASHB-KRWDZBQOSA-N 0 1 298.430 3.553 20 0 CHADMN COc1ccccc1[C@@H]1CCCCN1Cc1conc1C ZINC000646074867 1129521369 /nfs/dbraw/zinc/52/13/69/1129521369.db2.gz CZBGZONCPRBJCE-INIZCTEOSA-N 0 1 286.375 3.719 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cccc3cccnc32)CC2(CCCC2)O1 ZINC000646133682 1129525200 /nfs/dbraw/zinc/52/52/00/1129525200.db2.gz YWKYIPAXITXHAH-HNNXBMFYSA-N 0 1 296.414 3.768 20 0 CHADMN Cc1ccc(C2(NCc3cn4ccccc4n3)CCC2)cc1 ZINC000646131247 1129525402 /nfs/dbraw/zinc/52/54/02/1129525402.db2.gz HANKAJNWNOCALF-UHFFFAOYSA-N 0 1 291.398 3.812 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2F)N(C/C=C\Cl)C1 ZINC000743856775 1129540966 /nfs/dbraw/zinc/54/09/66/1129540966.db2.gz NQSAOZWOODXVEQ-QRWLWRBWSA-N 0 1 253.748 3.961 20 0 CHADMN CCC[C@@]1(C)CCCN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000743872646 1129541758 /nfs/dbraw/zinc/54/17/58/1129541758.db2.gz WVDQNGCIIVHHHG-WBVHZDCISA-N 0 1 297.389 3.900 20 0 CHADMN O=C(C=Cc1ccccc1Cl)Nc1ccc2nc[nH]c2c1 ZINC000743940662 1129544047 /nfs/dbraw/zinc/54/40/47/1129544047.db2.gz KMCUCUCFCRLMEH-YVMONPNESA-N 0 1 297.745 3.868 20 0 CHADMN CC(=CC(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000743936457 1129544202 /nfs/dbraw/zinc/54/42/02/1129544202.db2.gz BECLWIFHRZTAQL-FMIVXFBMSA-N 0 1 277.327 3.605 20 0 CHADMN Cc1cccc(C2(c3nc([C@@H](N)CC(C)C)no3)CCC2)c1 ZINC000647131422 1129551399 /nfs/dbraw/zinc/55/13/99/1129551399.db2.gz YQWKTMVWHGXRMA-HNNXBMFYSA-N 0 1 299.418 3.894 20 0 CHADMN Cc1cc2occ(-c3nc([C@@H]4CCCN4)no3)c2cc1C ZINC000647146036 1129551862 /nfs/dbraw/zinc/55/18/62/1129551862.db2.gz LOGDLLLFAKIEEM-ZDUSSCGKSA-N 0 1 283.331 3.524 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3ccc(Cl)cc3F)C[C@@H]21 ZINC001137661369 1131381690 /nfs/dbraw/zinc/38/16/90/1131381690.db2.gz RJOLAERBWYCQIP-TXEJJXNPSA-N 0 1 253.748 3.567 20 0 CHADMN CCC[C@@H](c1nc(C2(N)CCCC2)no1)c1ccccc1 ZINC000647135765 1129552030 /nfs/dbraw/zinc/55/20/30/1129552030.db2.gz DAIMBHSQBQGGGJ-CQSZACIVSA-N 0 1 285.391 3.730 20 0 CHADMN C[C@H](N[C@@H]1CO[C@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000647181824 1129554873 /nfs/dbraw/zinc/55/48/73/1129554873.db2.gz UEOWLKJLJRAIPR-DYEKYZERSA-N 0 1 288.416 3.638 20 0 CHADMN Cc1cccc(C2(NCc3cncs3)CCC2)c1 ZINC000647236797 1129559906 /nfs/dbraw/zinc/55/99/06/1129559906.db2.gz IBQHGTABXAHRRW-UHFFFAOYSA-N 0 1 258.390 3.621 20 0 CHADMN CC[C@H](NCc1ccnn1CC)c1csc(C)c1 ZINC000647254391 1129561448 /nfs/dbraw/zinc/56/14/48/1129561448.db2.gz JSRNBZLURHOZKC-AWEZNQCLSA-N 0 1 263.410 3.514 20 0 CHADMN C[C@H](N[C@H]1CCCc2ccccc21)c1cc2n(n1)CCCC2 ZINC000647279907 1129563594 /nfs/dbraw/zinc/56/35/94/1129563594.db2.gz FLFSYSGCTUDFFB-KSSFIOAISA-N 0 1 295.430 3.948 20 0 CHADMN COc1ccc([C@H](CC(C)C)NCc2cc(C)no2)cc1 ZINC000647288206 1129564201 /nfs/dbraw/zinc/56/42/01/1129564201.db2.gz SXISESKYLSTWEX-KRWDZBQOSA-N 0 1 288.391 3.869 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](CCO)c2ccccc2F)cs1 ZINC000647344178 1129572031 /nfs/dbraw/zinc/57/20/31/1129572031.db2.gz LCEVFWVWEDJZCS-MLGOLLRUSA-N 0 1 293.407 3.970 20 0 CHADMN Cc1cccc2c1CC[C@H]2N[C@H](CCO)c1ccccc1F ZINC000647345122 1129572322 /nfs/dbraw/zinc/57/23/22/1129572322.db2.gz DXKHMXOVGVTDDU-RTBURBONSA-N 0 1 299.389 3.835 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](CCO)c1ccccc1F)CC2 ZINC000647345919 1129573031 /nfs/dbraw/zinc/57/30/31/1129573031.db2.gz PFULPZZRNUFZKS-MOPGFXCFSA-N 0 1 299.389 3.835 20 0 CHADMN Cc1ccc(C2(N[C@H](C)c3cnccn3)CCC2)cc1 ZINC000647351549 1129574241 /nfs/dbraw/zinc/57/42/41/1129574241.db2.gz CGXSVTJRQRAATI-CQSZACIVSA-N 0 1 267.376 3.515 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1cccc(F)c1C ZINC000744811480 1129586888 /nfs/dbraw/zinc/58/68/88/1129586888.db2.gz XMEPUNHEARNEGY-UHFFFAOYSA-N 0 1 280.387 3.585 20 0 CHADMN Fc1ccc(F)c(CN2CCC[C@H](c3ccccn3)C2)c1 ZINC000647950784 1129588607 /nfs/dbraw/zinc/58/86/07/1129588607.db2.gz CRUMHPTVOXRCLC-ZDUSSCGKSA-N 0 1 288.341 3.739 20 0 CHADMN Fc1ccc(F)c(CN2CCC[C@@H](c3ccccn3)C2)c1 ZINC000647950783 1129588991 /nfs/dbraw/zinc/58/89/91/1129588991.db2.gz CRUMHPTVOXRCLC-CYBMUJFWSA-N 0 1 288.341 3.739 20 0 CHADMN Fc1ccc(CN2CCC[C@@H](c3ccccn3)C2)cc1F ZINC000647951199 1129589087 /nfs/dbraw/zinc/58/90/87/1129589087.db2.gz OORBRLAZDTYUTJ-CQSZACIVSA-N 0 1 288.341 3.739 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@@H](c2ccccn2)C1 ZINC000647950982 1129589437 /nfs/dbraw/zinc/58/94/37/1129589437.db2.gz IKWCDHSKZRSOSC-CYBMUJFWSA-N 0 1 288.341 3.739 20 0 CHADMN CC[C@H]1CN(Cc2coc(C)n2)CC[C@H]1c1ccccc1 ZINC000647965933 1129590101 /nfs/dbraw/zinc/59/01/01/1129590101.db2.gz VNMPKRGPVKUXPV-MAUKXSAKSA-N 0 1 284.403 3.999 20 0 CHADMN CC(C)Cn1nccc1CN1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000648004250 1129592234 /nfs/dbraw/zinc/59/22/34/1129592234.db2.gz YMXFVMQZRRCNGD-SFYZZRBRSA-N 0 1 287.451 3.550 20 0 CHADMN Cc1ccccc1C1(NCc2ccc3c(n2)CCC3)CC1 ZINC000648051985 1129593922 /nfs/dbraw/zinc/59/39/22/1129593922.db2.gz ADVOJVCHCVKNMX-UHFFFAOYSA-N 0 1 278.399 3.658 20 0 CHADMN CC1(CC(F)F)CN(Cc2ccc3cnccc3c2)C1 ZINC000648058779 1129594193 /nfs/dbraw/zinc/59/41/93/1129594193.db2.gz CKQJECAHZHNWLP-UHFFFAOYSA-N 0 1 276.330 3.712 20 0 CHADMN Cc1ccc(CN(Cc2cocn2)CC(C)C)c(C)c1 ZINC000648051906 1129594348 /nfs/dbraw/zinc/59/43/48/1129594348.db2.gz YTHVMYUNQMXOEC-UHFFFAOYSA-N 0 1 272.392 3.950 20 0 CHADMN CC1(CC(F)F)CN(Cc2ccnc3ccccc23)C1 ZINC000648058729 1129594358 /nfs/dbraw/zinc/59/43/58/1129594358.db2.gz ZZBZQNWDDFAXBH-UHFFFAOYSA-N 0 1 276.330 3.712 20 0 CHADMN Cc1occc1CN(Cc1ccc(C)nc1)CC1CC1 ZINC000648058164 1129595085 /nfs/dbraw/zinc/59/50/85/1129595085.db2.gz VARZDAXHNGTDQI-UHFFFAOYSA-N 0 1 270.376 3.704 20 0 CHADMN Cc1nc(CN2CC3(CC=CC3)[C@@H]2C(C)C)cs1 ZINC000648071918 1129596296 /nfs/dbraw/zinc/59/62/96/1129596296.db2.gz ARSXRCQDUTZSEN-AWEZNQCLSA-N 0 1 262.422 3.628 20 0 CHADMN COc1ccc(CNCCOC2CCCCC2)c(Cl)c1 ZINC001649138538 1129596544 /nfs/dbraw/zinc/59/65/44/1129596544.db2.gz HSVWNLRNKTVROX-UHFFFAOYSA-N 0 1 297.826 3.788 20 0 CHADMN Cc1occc1-c1noc([C@@H]2CC[C@H]3CCCC[C@H]3N2)n1 ZINC000252827422 1129598229 /nfs/dbraw/zinc/59/82/29/1129598229.db2.gz HYUDBNKLWFXHOV-BNOWGMLFSA-N 0 1 287.363 3.621 20 0 CHADMN Cc1ccc2nc(CNC(=O)[C@@H]3C[C@H]3CC(C)(C)C)[nH]c2c1 ZINC000648309068 1129602368 /nfs/dbraw/zinc/60/23/68/1129602368.db2.gz DGYBWENFRCDTAM-QWHCGFSZSA-N 0 1 299.418 3.560 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@]3(C)C=CCC3)c2C)o1 ZINC000822520166 1131384961 /nfs/dbraw/zinc/38/49/61/1131384961.db2.gz ZOVCWYYSYPPAFE-INIZCTEOSA-N 0 1 285.347 3.581 20 0 CHADMN CO[C@H](CN[C@@H](c1ccc(C)cc1)c1ccccn1)C(C)C ZINC000828450463 1131385936 /nfs/dbraw/zinc/38/59/36/1131385936.db2.gz KPDXKEVLWSAWBF-MOPGFXCFSA-N 0 1 298.430 3.740 20 0 CHADMN CCCN(C)CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000746172781 1129628468 /nfs/dbraw/zinc/62/84/68/1129628468.db2.gz HHHRRSQOOSZULR-UHFFFAOYSA-N 0 1 282.387 3.634 20 0 CHADMN C[C@H](CN1CCO[C@H](c2cccc(F)c2)C1)C(C)(C)C ZINC001459425673 1129634153 /nfs/dbraw/zinc/63/41/53/1129634153.db2.gz LCJZMUXSKKFBLR-CJNGLKHVSA-N 0 1 279.399 3.881 20 0 CHADMN C[C@@]1(F)CCN(Cc2cccc3ncccc23)C[C@H]1F ZINC001137624652 1131387402 /nfs/dbraw/zinc/38/74/02/1131387402.db2.gz UFKHYBPNNPIRFY-HZPDHXFCSA-N 0 1 276.330 3.507 20 0 CHADMN O=C(Nc1ccsc1Cl)c1cc(F)cc2[nH]cnc21 ZINC000189492310 1129638145 /nfs/dbraw/zinc/63/81/45/1129638145.db2.gz LNPCEGXXPVNOLG-UHFFFAOYSA-N 0 1 295.726 3.669 20 0 CHADMN Cc1ccc([C@@]2(C)CN(Cc3cccs3)CCO2)cc1 ZINC001204016198 1129650106 /nfs/dbraw/zinc/65/01/06/1129650106.db2.gz YIGYTDJAOJDYFW-QGZVFWFLSA-N 0 1 287.428 3.804 20 0 CHADMN Fc1cc(Br)ccc1CN1CC[C@H]2CCC[C@H]21 ZINC000383094907 1129650331 /nfs/dbraw/zinc/65/03/31/1129650331.db2.gz MHGBDDMZSRLBPY-QMTHXVAHSA-N 0 1 298.199 3.963 20 0 CHADMN Cc1ccc([C@]2(C)CN(Cc3cccs3)CCO2)cc1 ZINC001204016197 1129650401 /nfs/dbraw/zinc/65/04/01/1129650401.db2.gz YIGYTDJAOJDYFW-KRWDZBQOSA-N 0 1 287.428 3.804 20 0 CHADMN CCOc1ccc(F)cc1-c1cc(C(F)(F)F)n[nH]1 ZINC000649444127 1129650758 /nfs/dbraw/zinc/65/07/58/1129650758.db2.gz CQPHRZSZVUUGFD-UHFFFAOYSA-N 0 1 274.217 3.633 20 0 CHADMN C[C@@H](C1CC1)N(Cc1cc2n(n1)CCC2)Cc1ccccc1 ZINC000649487540 1129653093 /nfs/dbraw/zinc/65/30/93/1129653093.db2.gz FOHUNSYKYATZEZ-HNNXBMFYSA-N 0 1 295.430 3.630 20 0 CHADMN Cc1cc(C)cc(N2N=C3CCCCC[C@H]3C2=O)c1 ZINC000100214097 1129653432 /nfs/dbraw/zinc/65/34/32/1129653432.db2.gz JYAKFRGDGYTNBF-CQSZACIVSA-N 0 1 256.349 3.586 20 0 CHADMN Cc1cc(C)cc(-n2[nH]c3c(c2=O)CCCCC3)c1 ZINC000100214097 1129653435 /nfs/dbraw/zinc/65/34/35/1129653435.db2.gz JYAKFRGDGYTNBF-CQSZACIVSA-N 0 1 256.349 3.586 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2CC23CCCC3)c(C)s1 ZINC000387052654 1129654164 /nfs/dbraw/zinc/65/41/64/1129654164.db2.gz UCRGQRXIXLMURF-JOYOIKCWSA-N 0 1 250.411 3.743 20 0 CHADMN Cc1nnsc1CN1CCc2ccccc2[C@H]1C(C)C ZINC000649552043 1129657811 /nfs/dbraw/zinc/65/78/11/1129657811.db2.gz VHBXJNKUOFTGQI-MRXNPFEDSA-N 0 1 287.432 3.602 20 0 CHADMN CC(C)Oc1ccnc(CN[C@H](C)c2ccccc2)c1 ZINC000649573793 1129658982 /nfs/dbraw/zinc/65/89/82/1129658982.db2.gz PXNQGNRRZUONSQ-CQSZACIVSA-N 0 1 270.376 3.720 20 0 CHADMN Cc1ccccc1[C@H](NCc1cc2n(n1)CCCC2)C1CC1 ZINC000649577400 1129659025 /nfs/dbraw/zinc/65/90/25/1129659025.db2.gz IAEIIRHDYGWYLE-LJQANCHMSA-N 0 1 295.430 3.769 20 0 CHADMN Cc1ccccc1[C@H](C)NCc1cnc(C(F)(F)F)nc1 ZINC000649573700 1129659481 /nfs/dbraw/zinc/65/94/81/1129659481.db2.gz MWMPXHRKECZLPY-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN CC[C@H](OCCN[C@H](C)c1nccs1)c1ccccc1 ZINC000649583855 1129660431 /nfs/dbraw/zinc/66/04/31/1129660431.db2.gz AZAJUFSJQXMYRP-HIFRSBDPSA-N 0 1 290.432 3.962 20 0 CHADMN Cc1ccc(CNC2(c3ccccc3C)CCC2)nc1 ZINC000649644882 1129665785 /nfs/dbraw/zinc/66/57/85/1129665785.db2.gz WJGAHMOZPBFCMS-UHFFFAOYSA-N 0 1 266.388 3.867 20 0 CHADMN Cn1c2ccc(Cl)cc2nc1CN1CCC12CCCC2 ZINC000649656838 1129666599 /nfs/dbraw/zinc/66/65/99/1129666599.db2.gz CCOVFIJXCRVHRV-UHFFFAOYSA-N 0 1 289.810 3.745 20 0 CHADMN c1cn(CCc2ccccc2)nc1CN1CCC12CCCC2 ZINC000649658768 1129667724 /nfs/dbraw/zinc/66/77/24/1129667724.db2.gz XVXLQJKKEBVOMJ-UHFFFAOYSA-N 0 1 295.430 3.644 20 0 CHADMN COc1ccc(CN2CCC[C@@H](OC(C)C)C2)cc1Cl ZINC000649703097 1129671797 /nfs/dbraw/zinc/67/17/97/1129671797.db2.gz UFMYNNKGHUCSNN-CQSZACIVSA-N 0 1 297.826 3.738 20 0 CHADMN CC[C@H]1CN(Cc2ccc3ncccc3c2)[C@@H](CC)CO1 ZINC000649719932 1129672846 /nfs/dbraw/zinc/67/28/46/1129672846.db2.gz ZPEKNGZTNREYAA-IRXDYDNUSA-N 0 1 284.403 3.624 20 0 CHADMN CC[C@@H]1CN(Cc2cnc3ccccc3c2)[C@H](CC)CO1 ZINC000649718663 1129672863 /nfs/dbraw/zinc/67/28/63/1129672863.db2.gz DIVWWJJYNQOERP-IAGOWNOFSA-N 0 1 284.403 3.624 20 0 CHADMN CC[C@@H]1CO[C@@H](CC)CN1Cc1ccc2ncccc2c1 ZINC000649719933 1129673166 /nfs/dbraw/zinc/67/31/66/1129673166.db2.gz ZPEKNGZTNREYAA-SJORKVTESA-N 0 1 284.403 3.624 20 0 CHADMN CC[C@H]1CN(Cc2cnc3ccccc3c2)[C@@H](CC)CO1 ZINC000649718664 1129673210 /nfs/dbraw/zinc/67/32/10/1129673210.db2.gz DIVWWJJYNQOERP-IRXDYDNUSA-N 0 1 284.403 3.624 20 0 CHADMN CC[C@H]1CN(Cc2ccc(C(F)F)cc2)[C@@H](C)CO1 ZINC000649736222 1129673947 /nfs/dbraw/zinc/67/39/47/1129673947.db2.gz YARFLUBFXJYCOX-FZMZJTMJSA-N 0 1 269.335 3.624 20 0 CHADMN FC1(F)CC12CCN(Cc1ccn(C3CCCC3)n1)CC2 ZINC000649775278 1129676933 /nfs/dbraw/zinc/67/69/33/1129676933.db2.gz BBLWXABAYLOMMC-UHFFFAOYSA-N 0 1 295.377 3.619 20 0 CHADMN Clc1cnc(CNC2(C3CCC3)CC2)c(Cl)c1 ZINC000649810431 1129679273 /nfs/dbraw/zinc/67/92/73/1129679273.db2.gz KJRKBCJZWIXDAO-UHFFFAOYSA-N 0 1 271.191 3.811 20 0 CHADMN Cc1nc([C@H](C)N(C)Cc2oc3c(cccc3C)c2C)n[nH]1 ZINC000649819831 1129679645 /nfs/dbraw/zinc/67/96/45/1129679645.db2.gz ICJMYJPUHXGYAX-LBPRGKRZSA-N 0 1 298.390 3.669 20 0 CHADMN Cc1c2cccc(C)c2oc1CN(C)Cc1cnn(C)c1C ZINC000649820032 1129679874 /nfs/dbraw/zinc/67/98/74/1129679874.db2.gz OYIFXLDULSDBRA-UHFFFAOYSA-N 0 1 297.402 3.724 20 0 CHADMN FC1(F)C[C@]12CCN(Cc1ccc(Cl)s1)C2 ZINC000649900974 1129685870 /nfs/dbraw/zinc/68/58/70/1129685870.db2.gz CXKIDGSQTGCVNF-JTQLQIEISA-N 0 1 263.740 3.633 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)N1CC[C@]2(CC2(F)F)C1 ZINC000649907549 1129686531 /nfs/dbraw/zinc/68/65/31/1129686531.db2.gz UTHAVMVIRAHOET-HZMBPMFUSA-N 0 1 278.302 3.620 20 0 CHADMN CC(C)C[C@H](Cc1ccccc1)NCc1nc(C2CC2)no1 ZINC001169059081 1129693789 /nfs/dbraw/zinc/69/37/89/1129693789.db2.gz NEWQMOQODMHWSF-MRXNPFEDSA-N 0 1 299.418 3.694 20 0 CHADMN CCN(Cc1cccnc1)Cc1ccc(Cl)c(F)c1 ZINC001137653268 1131392015 /nfs/dbraw/zinc/39/20/15/1131392015.db2.gz GFYFIYAGTYDKCQ-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN Cc1nc2cc(N[C@@H]3CCCC(F)(F)C3)ccc2[nH]1 ZINC001169214029 1129708549 /nfs/dbraw/zinc/70/85/49/1129708549.db2.gz SIPNKGCHFHXLCK-LLVKDONJSA-N 0 1 265.307 3.861 20 0 CHADMN FC(F)(F)c1cnccc1N[C@H](C1CCC1)C(F)(F)F ZINC001169284927 1129715216 /nfs/dbraw/zinc/71/52/16/1129715216.db2.gz MXWZITYEJRFWCE-SNVBAGLBSA-N 0 1 298.230 3.665 20 0 CHADMN Cc1nc2cncc(N[C@H]3C[C@@H](C)c4ccccc43)c2[nH]1 ZINC001169382672 1129721013 /nfs/dbraw/zinc/72/10/13/1129721013.db2.gz XFTGUKXRUUPGSH-YGRLFVJLSA-N 0 1 278.359 3.927 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(-c2ccccc2)cs1 ZINC000650806772 1129723542 /nfs/dbraw/zinc/72/35/42/1129723542.db2.gz IMWAYSQTNLZIRQ-OAHLLOKOSA-N 0 1 289.400 3.710 20 0 CHADMN Cc1ccc(F)c(CN2CCC([C@@H]3CCCO3)CC2)c1F ZINC001169407049 1129724516 /nfs/dbraw/zinc/72/45/16/1129724516.db2.gz CQLJGBGVAHRNEW-INIZCTEOSA-N 0 1 295.373 3.664 20 0 CHADMN C[C@H]1CCCCN(CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC001169394902 1129725199 /nfs/dbraw/zinc/72/51/99/1129725199.db2.gz APAXCHMOBYCBMN-NSHDSACASA-N 0 1 298.789 3.540 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000766691894 1129726037 /nfs/dbraw/zinc/72/60/37/1129726037.db2.gz NFUXBBRFVXAGKS-ZFWWWQNUSA-N 0 1 291.439 3.900 20 0 CHADMN Cc1nccc(CN[C@H](C)c2csc3ccccc32)n1 ZINC000796451765 1129727789 /nfs/dbraw/zinc/72/77/89/1129727789.db2.gz ZBYAKMQXMZATLN-LLVKDONJSA-N 0 1 283.400 3.851 20 0 CHADMN Clc1ccc(OCC2CC2)c(C[N@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000796450890 1129728122 /nfs/dbraw/zinc/72/81/22/1129728122.db2.gz SXOWMJJMCTXHQB-DOMZBBRYSA-N 0 1 277.795 3.723 20 0 CHADMN Clc1ccc(OCC2CC2)c(CN2CC[C@@H]3C[C@@H]32)c1 ZINC000796450890 1129728126 /nfs/dbraw/zinc/72/81/26/1129728126.db2.gz SXOWMJJMCTXHQB-DOMZBBRYSA-N 0 1 277.795 3.723 20 0 CHADMN Cc1cc2cc[nH]c2c(NC[C@H](C)c2ccc(O)cc2)n1 ZINC001169533212 1129733635 /nfs/dbraw/zinc/73/36/35/1129733635.db2.gz MAZZIZIQPJMSLF-NSHDSACASA-N 0 1 281.359 3.793 20 0 CHADMN c1nn(-c2ccncc2)cc1N[C@@H](C1CC1)C1CCCC1 ZINC000651303841 1129737010 /nfs/dbraw/zinc/73/70/10/1129737010.db2.gz NIQWMOJAOOCHBW-QGZVFWFLSA-N 0 1 282.391 3.648 20 0 CHADMN CC[C@]1(C)CCC[C@H]1N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000651784061 1129747968 /nfs/dbraw/zinc/74/79/68/1129747968.db2.gz AFWNNUCGECCBFM-XHBSWPGZSA-N 0 1 279.428 3.987 20 0 CHADMN CC(C)c1nc(CNC(C)(C)C(F)F)c2ccccn21 ZINC000651790569 1129748351 /nfs/dbraw/zinc/74/83/51/1129748351.db2.gz BGEXCERZWUDEMP-UHFFFAOYSA-N 0 1 281.350 3.591 20 0 CHADMN Brc1ncccc1CN1CCCCCCC1 ZINC001137799294 1131417553 /nfs/dbraw/zinc/41/75/53/1131417553.db2.gz QCKWDAFZTVEPBS-UHFFFAOYSA-N 0 1 283.213 3.610 20 0 CHADMN CC(C)OCc1nc([C@H](C)N[C@@H]2CCCCC[C@@H]2C)no1 ZINC000651815019 1129749765 /nfs/dbraw/zinc/74/97/65/1129749765.db2.gz SYLGJYVVFKZLAC-MELADBBJSA-N 0 1 295.427 3.614 20 0 CHADMN Cc1cccc(CCN2CC[C@@](F)(c3ccccc3C)C2)n1 ZINC001169716806 1129750362 /nfs/dbraw/zinc/75/03/62/1129750362.db2.gz WOWUGMSPCLCOLZ-IBGZPJMESA-N 0 1 298.405 3.812 20 0 CHADMN COc1ccc(CN[C@H]2CCc3c2cccc3Cl)nc1 ZINC000766808977 1129750969 /nfs/dbraw/zinc/75/09/69/1129750969.db2.gz YLSTYRNLRHMKPX-INIZCTEOSA-N 0 1 288.778 3.521 20 0 CHADMN CCCc1ccc(CN2CCC[C@H]2c2cc[nH]n2)cc1 ZINC001169771493 1129754914 /nfs/dbraw/zinc/75/49/14/1129754914.db2.gz LFSOGUVMXQAHSG-KRWDZBQOSA-N 0 1 269.392 3.699 20 0 CHADMN CCc1cccc(CNCc2cnc(C3CC3)s2)c1 ZINC000652032998 1129755788 /nfs/dbraw/zinc/75/57/88/1129755788.db2.gz SYAWEXSYEQQXIO-UHFFFAOYSA-N 0 1 272.417 3.873 20 0 CHADMN Fc1ccc2oc(C[N@H+]3CC[C@@]4(CC4(F)F)C3)cc2c1 ZINC000652063766 1129757132 /nfs/dbraw/zinc/75/71/32/1129757132.db2.gz UXUXNACUTDMTOP-CQSZACIVSA-N 0 1 281.277 3.803 20 0 CHADMN Cc1nc2cc(N[C@@H]3C[C@H]3c3ccccc3)ccc2[nH]1 ZINC001169811458 1129757342 /nfs/dbraw/zinc/75/73/42/1129757342.db2.gz BKDKSNKFBSFPEI-GOEBONIOSA-N 0 1 263.344 3.839 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)o1 ZINC000652062164 1129757470 /nfs/dbraw/zinc/75/74/70/1129757470.db2.gz AWDWNJBWERXGOF-OSMZGAPFSA-N 0 1 267.319 3.634 20 0 CHADMN Cn1ccc2c1nccc2N[C@@H]1C[C@H]1c1ccccc1 ZINC001169816080 1129759488 /nfs/dbraw/zinc/75/94/88/1129759488.db2.gz HWLVJAOXNNTZEQ-GOEBONIOSA-N 0 1 263.344 3.541 20 0 CHADMN C[C@H](N[C@H]1CC(C)(C)Oc2ccc(F)cc21)c1cn[nH]c1 ZINC000652267276 1129761452 /nfs/dbraw/zinc/76/14/52/1129761452.db2.gz QIUDPBZKKBHPMW-HZMBPMFUSA-N 0 1 289.354 3.502 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccccc2C(=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000652396224 1129763886 /nfs/dbraw/zinc/76/38/86/1129763886.db2.gz FXYMLCRDPSJBQE-KMFMINBZSA-N 0 1 287.403 3.785 20 0 CHADMN C[C@@H]1CCC[N@H+]1[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000652411247 1129764714 /nfs/dbraw/zinc/76/47/14/1129764714.db2.gz TYDMXVPLLQGPEQ-PRHODGIISA-N 0 1 288.174 3.603 20 0 CHADMN C[C@H]1CCC[N@H+]1[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000652411249 1129765054 /nfs/dbraw/zinc/76/50/54/1129765054.db2.gz TYDMXVPLLQGPEQ-UFBFGSQYSA-N 0 1 288.174 3.603 20 0 CHADMN CCN1CCN(Cc2ccc(-c3cccs3)s2)CC1 ZINC001139017574 1129776625 /nfs/dbraw/zinc/77/66/25/1129776625.db2.gz SWWBSIVHWDHOGG-UHFFFAOYSA-N 0 1 292.473 3.614 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cnc(Cl)c(C)c1 ZINC000768140277 1129835939 /nfs/dbraw/zinc/83/59/39/1129835939.db2.gz YRIZLMHIOOEENO-CYBMUJFWSA-N 0 1 252.789 3.808 20 0 CHADMN CCN(CCC(=O)C1CC1)Cc1ccc(Cl)s1 ZINC000767345636 1129786274 /nfs/dbraw/zinc/78/62/74/1129786274.db2.gz AXJBABBHLJTBCY-UHFFFAOYSA-N 0 1 271.813 3.593 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN(CCC(=O)C2CC2)C2CC2)o1 ZINC000767347010 1129786948 /nfs/dbraw/zinc/78/69/48/1129786948.db2.gz MWXWVLVFBQSTTP-WBMJQRKESA-N 0 1 287.403 3.737 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN(CCC(=O)C2CC2)C2CC2)o1 ZINC000767347009 1129787352 /nfs/dbraw/zinc/78/73/52/1129787352.db2.gz MWXWVLVFBQSTTP-MLGOLLRUSA-N 0 1 287.403 3.737 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1c(C)nsc1C ZINC000653597331 1129787526 /nfs/dbraw/zinc/78/75/26/1129787526.db2.gz LKJIWOILUJATKW-SNVBAGLBSA-N 0 1 276.405 3.619 20 0 CHADMN CN(CCC(=O)C1CC1)Cc1cc(Cl)cc(Cl)c1 ZINC000767349371 1129787668 /nfs/dbraw/zinc/78/76/68/1129787668.db2.gz QXKDSUCHWYBXQX-UHFFFAOYSA-N 0 1 286.202 3.794 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)c(C)o1 ZINC000767364880 1129789043 /nfs/dbraw/zinc/78/90/43/1129789043.db2.gz VONDPQOOWKFQJM-ZWKOTPCHSA-N 0 1 285.387 3.906 20 0 CHADMN COc1cccc2c1CC[C@@H]2NCc1cc(C)oc1C ZINC000767373565 1129789871 /nfs/dbraw/zinc/78/98/71/1129789871.db2.gz ROFCBXPVEGBTCV-INIZCTEOSA-N 0 1 271.360 3.682 20 0 CHADMN CC(=O)c1cc(CN2CC[C@H]([C@@H]3CCCC3(C)C)C2)on1 ZINC000653777723 1129795774 /nfs/dbraw/zinc/79/57/74/1129795774.db2.gz TWUFBKZARIXVJR-ZFWWWQNUSA-N 0 1 290.407 3.525 20 0 CHADMN ClC1(Cl)C[C@H]1CCN1CCc2ccsc2C1 ZINC000822790296 1131398180 /nfs/dbraw/zinc/39/81/80/1131398180.db2.gz HCDUTODQNQCORZ-SNVBAGLBSA-N 0 1 276.232 3.690 20 0 CHADMN Cc1cc(-c2cccc(Cl)c2O)c2nccn2c1 ZINC001242366699 1129797824 /nfs/dbraw/zinc/79/78/24/1129797824.db2.gz RXYHGHMTWBGEJQ-UHFFFAOYSA-N 0 1 258.708 3.669 20 0 CHADMN CC(CC(=O)OC(C)C)=Nc1nc(Cl)ccc1Cl ZINC001156513845 1129803669 /nfs/dbraw/zinc/80/36/69/1129803669.db2.gz DWBMJYQIKQBBJV-VURMDHGXSA-N 0 1 289.162 3.656 20 0 CHADMN Cc1cccc(CN(C)C[C@@H]2Cc3ccccc3O2)c1F ZINC001137680213 1131398996 /nfs/dbraw/zinc/39/89/96/1131398996.db2.gz RVGOCTMBMDDTGD-INIZCTEOSA-N 0 1 285.362 3.570 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@H]3CCCC[C@@H]3C)[nH]c2c1 ZINC001129384337 1129829544 /nfs/dbraw/zinc/82/95/44/1129829544.db2.gz GXTSTABQFFPDPH-RYUDHWBXSA-N 0 1 271.364 3.636 20 0 CHADMN CN1CCc2c(F)cc(-c3ccc(F)c(F)c3)cc2C1 ZINC001239586091 1131400206 /nfs/dbraw/zinc/40/02/06/1131400206.db2.gz PRKIMOLUTYESLR-UHFFFAOYSA-N 0 1 277.289 3.759 20 0 CHADMN Cc1ccc2nc(NC(=O)CC3(C)CCCC3)[nH]c2c1 ZINC001129384095 1129830430 /nfs/dbraw/zinc/83/04/30/1129830430.db2.gz CYCLGBZFTOEGOW-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN CN(C)Cc1cc(-c2ccc(F)c(F)c2)ccc1F ZINC001239585732 1131400307 /nfs/dbraw/zinc/40/03/07/1131400307.db2.gz HLSJIEIQDOPVBG-UHFFFAOYSA-N 0 1 265.278 3.833 20 0 CHADMN Brc1cccnc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000384075999 1129834154 /nfs/dbraw/zinc/83/41/54/1129834154.db2.gz RSYFKKBXRGCORI-RISCZKNCSA-N 0 1 295.224 3.609 20 0 CHADMN COc1ccc(CN(C)Cc2cc(C)oc2C)cc1OC ZINC000768169202 1129838156 /nfs/dbraw/zinc/83/81/56/1129838156.db2.gz SGDDOIYWPBBKHR-UHFFFAOYSA-N 0 1 289.375 3.546 20 0 CHADMN O=C(c1cccc(F)c1O)N1CCC[C@@H]1C1CCCCC1 ZINC001626155309 1129840271 /nfs/dbraw/zinc/84/02/71/1129840271.db2.gz VESCZVBAFMRWHM-OAHLLOKOSA-N 0 1 291.366 3.716 20 0 CHADMN C[C@@H]1CN(Cc2nn(C)c3ccccc23)Cc2ccccc21 ZINC000768194893 1129842505 /nfs/dbraw/zinc/84/25/05/1129842505.db2.gz IBVYHYVQJASLRH-CQSZACIVSA-N 0 1 291.398 3.693 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1cc3ccccc3s1)C2 ZINC001137686848 1131401084 /nfs/dbraw/zinc/40/10/84/1131401084.db2.gz VAYOYIGHYULHJQ-BBRMVZONSA-N 0 1 273.401 3.655 20 0 CHADMN C[C@H]1CN(Cc2ccccc2-c2ccccc2)CCO1 ZINC000768226954 1129844023 /nfs/dbraw/zinc/84/40/23/1129844023.db2.gz DKGJSGYLAGHVDT-HNNXBMFYSA-N 0 1 267.372 3.574 20 0 CHADMN CCCCn1nc(C)c(CN2C3CCC2CC3)c1Cl ZINC000768228850 1129845583 /nfs/dbraw/zinc/84/55/83/1129845583.db2.gz KPNZDTYJFDCXTR-UHFFFAOYSA-N 0 1 281.831 3.772 20 0 CHADMN CCc1nc(C)c(CNCc2ccc(CSC)cc2)o1 ZINC000725124497 1129853109 /nfs/dbraw/zinc/85/31/09/1129853109.db2.gz UYUXPYATAFHSCQ-UHFFFAOYSA-N 0 1 290.432 3.698 20 0 CHADMN C[C@@H]1CCCN(Cc2occc2Br)[C@H]1C ZINC000769224782 1129896263 /nfs/dbraw/zinc/89/62/63/1129896263.db2.gz YIXAHRKLVPPPAB-ZJUUUORDSA-N 0 1 272.186 3.663 20 0 CHADMN Cc1cnc([C@@H](C)NC[C@]2(C)CC2(Cl)Cl)s1 ZINC000828852832 1131402894 /nfs/dbraw/zinc/40/28/94/1131402894.db2.gz SSWJKKLKKCSCRX-SCZZXKLOSA-N 0 1 279.236 3.686 20 0 CHADMN CC[C@H](C)CN(C)Cc1occc1Br ZINC000768766235 1129871439 /nfs/dbraw/zinc/87/14/39/1129871439.db2.gz IAAJLQJKCWGIND-VIFPVBQESA-N 0 1 260.175 3.520 20 0 CHADMN Cc1cc(F)cc2c1CN([C@@H](C)c1ccncc1)CC2 ZINC000800472188 1129875204 /nfs/dbraw/zinc/87/52/04/1129875204.db2.gz ICRQZZIMQPLLDL-ZDUSSCGKSA-N 0 1 270.351 3.648 20 0 CHADMN Cc1cc(F)cc([C@@]2(F)CCN(CCCCCCO)C2)c1 ZINC000800474686 1129876124 /nfs/dbraw/zinc/87/61/24/1129876124.db2.gz MENKLLLIMMFRQA-QGZVFWFLSA-N 0 1 297.389 3.557 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(-n3ccnc3)cc2)oc1C ZINC000800475905 1129876416 /nfs/dbraw/zinc/87/64/16/1129876416.db2.gz XNAVGAKLKCKVCV-AWEZNQCLSA-N 0 1 295.386 3.933 20 0 CHADMN CC[C@@H]1CCCN(Cc2cnc(Cl)c(C)c2)C1 ZINC000768845188 1129877010 /nfs/dbraw/zinc/87/70/10/1129877010.db2.gz FRWOQQOFTNNDQZ-GFCCVEGCSA-N 0 1 252.789 3.665 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2cncc3ccccc32)on1 ZINC000768878452 1129879761 /nfs/dbraw/zinc/87/97/61/1129879761.db2.gz OPPMZZLMLNPLHR-QGZVFWFLSA-N 0 1 293.370 3.868 20 0 CHADMN C[C@H]1CCCC[C@@H]1OCCN(C)Cc1cc(F)cc(F)c1 ZINC001169997701 1129880359 /nfs/dbraw/zinc/88/03/59/1129880359.db2.gz AWGSRDSIHLDNKN-GUYCJALGSA-N 0 1 297.389 3.992 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)Cc2ccccc2Cl)no1 ZINC000800502352 1129881717 /nfs/dbraw/zinc/88/17/17/1129881717.db2.gz AOJGWELTNOEULR-CMPLNLGQSA-N 0 1 278.783 3.918 20 0 CHADMN CCC1CCN(Cc2c(Cl)nc3ccccn32)CC1 ZINC000768930905 1129882608 /nfs/dbraw/zinc/88/26/08/1129882608.db2.gz HDXRIENANBDTGA-UHFFFAOYSA-N 0 1 277.799 3.610 20 0 CHADMN CC(C)N(Cc1cn(C/C=C/c2ccccc2)nn1)C(C)C ZINC000900503022 1129884945 /nfs/dbraw/zinc/88/49/45/1129884945.db2.gz ROGBLIURNGUHHD-DHZHZOJOSA-N 0 1 298.434 3.610 20 0 CHADMN CC1CCC(OC2CCN(Cc3ccoc3)CC2)CC1 ZINC000769385643 1129905643 /nfs/dbraw/zinc/90/56/43/1129905643.db2.gz YWAHQJSLBRRHMW-UHFFFAOYSA-N 0 1 277.408 3.839 20 0 CHADMN c1cc(CN2CCS[C@H](c3ccccc3)C2)co1 ZINC000769424947 1129907686 /nfs/dbraw/zinc/90/76/86/1129907686.db2.gz AQSBBYYSFJRXNR-HNNXBMFYSA-N 0 1 259.374 3.570 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2coc(C3CC3)n2)CC1 ZINC000769429071 1129908018 /nfs/dbraw/zinc/90/80/18/1129908018.db2.gz ZXCOIZQBQAWFEL-CYBMUJFWSA-N 0 1 262.397 3.810 20 0 CHADMN CC(C)c1ccc(N(C)C(=O)c2cc(C(F)F)n[nH]2)cc1 ZINC000901088187 1129909244 /nfs/dbraw/zinc/90/92/44/1129909244.db2.gz JTMPTBABIAZKOG-UHFFFAOYSA-N 0 1 293.317 3.747 20 0 CHADMN COc1cccc2cc(CN(C)Cc3cccc(C)n3)oc21 ZINC000769478565 1129909469 /nfs/dbraw/zinc/90/94/69/1129909469.db2.gz DRYUSAYYDPBCLB-UHFFFAOYSA-N 0 1 296.370 3.777 20 0 CHADMN FC(F)C1CC(N[C@H](c2nccs2)c2ccccc2)C1 ZINC000769495425 1129913412 /nfs/dbraw/zinc/91/34/12/1129913412.db2.gz QLGNJZSVTORMDR-BPCQOVAHSA-N 0 1 294.370 3.866 20 0 CHADMN CC(C)[C@H](N)c1cc(-c2ccccc2OC(F)F)no1 ZINC000901395185 1129920651 /nfs/dbraw/zinc/92/06/51/1129920651.db2.gz JDJJMWRTGXWWOK-ZDUSSCGKSA-N 0 1 282.290 3.599 20 0 CHADMN COc1cc(C)ccc1NC(=O)c1c(O)cccc1Cl ZINC000769705566 1129921405 /nfs/dbraw/zinc/92/14/05/1129921405.db2.gz JWXJSHFIOJCTFS-UHFFFAOYSA-N 0 1 291.734 3.615 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000901415912 1129922902 /nfs/dbraw/zinc/92/29/02/1129922902.db2.gz CEVLIHUDHKVUBF-CQSZACIVSA-N 0 1 298.386 3.698 20 0 CHADMN CC[N@H+](Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)CC1CC1 ZINC000901430047 1129924169 /nfs/dbraw/zinc/92/41/69/1129924169.db2.gz BHFDQWAYHBFBQN-UHFFFAOYSA-N 0 1 299.370 3.877 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccc(/C=C/C(=O)[O-])o1)c1ccccc1 ZINC000901429897 1129924204 /nfs/dbraw/zinc/92/42/04/1129924204.db2.gz FIRWJBVAUIQIJX-PLSXKVAHSA-N 0 1 299.370 3.613 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccc(/C=C\C(=O)[O-])o1)c1ccccc1 ZINC000901429896 1129924209 /nfs/dbraw/zinc/92/42/09/1129924209.db2.gz FIRWJBVAUIQIJX-IWMPZKFUSA-N 0 1 299.370 3.613 20 0 CHADMN CC[N@H+](CC(=O)[O-])C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000901426408 1129924425 /nfs/dbraw/zinc/92/44/25/1129924425.db2.gz IPVAVTHXESNSQR-AWEZNQCLSA-N 0 1 291.435 3.569 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000901451755 1129926339 /nfs/dbraw/zinc/92/63/39/1129926339.db2.gz KXHOCSIVRQGDIE-WTNCMQEWSA-N 0 1 277.364 3.532 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1cccc(F)c1 ZINC000769867661 1129927046 /nfs/dbraw/zinc/92/70/46/1129927046.db2.gz MZGFFZJXBUUCMU-JTQLQIEISA-N 0 1 262.328 3.535 20 0 CHADMN CO[C@@H](C)Sc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000901470271 1129927258 /nfs/dbraw/zinc/92/72/58/1129927258.db2.gz CGZCHTVDDCOZRZ-ZCFIWIBFSA-N 0 1 276.283 3.666 20 0 CHADMN C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000901463881 1129927460 /nfs/dbraw/zinc/92/74/60/1129927460.db2.gz AWNWGFOTMYTGCI-OTMARIDSSA-N 0 1 287.403 3.523 20 0 CHADMN Cc1c(Cl)cccc1C[N@@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000901467594 1129927635 /nfs/dbraw/zinc/92/76/35/1129927635.db2.gz UTASIQBLKVWMKJ-MRXNPFEDSA-N 0 1 295.810 3.581 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000901469403 1129927682 /nfs/dbraw/zinc/92/76/82/1129927682.db2.gz VIUGXVPCVAVJBD-YOEHRIQHSA-N 0 1 281.440 3.636 20 0 CHADMN Cc1ccc([C@H](O)CN2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC000801588504 1129930427 /nfs/dbraw/zinc/93/04/27/1129930427.db2.gz QQKALQCQKVKQOY-MOPGFXCFSA-N 0 1 299.389 3.599 20 0 CHADMN CCCC[C@@H](CC)CC[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000901553284 1129935749 /nfs/dbraw/zinc/93/57/49/1129935749.db2.gz WYNSNPKRKHWIEQ-VYDXJSESSA-N 0 1 281.440 3.780 20 0 CHADMN CCc1cccc2cc(C[N@H+](CC(=O)[O-])CC(C)C)oc21 ZINC000901588840 1129938078 /nfs/dbraw/zinc/93/80/78/1129938078.db2.gz ICCQQCVKWXUMLB-UHFFFAOYSA-N 0 1 289.375 3.538 20 0 CHADMN C[C@H](Cc1ccccc1)C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000901591560 1129938261 /nfs/dbraw/zinc/93/82/61/1129938261.db2.gz DGPHMRNCPIQEQX-OAHLLOKOSA-N 0 1 297.398 3.695 20 0 CHADMN C[C@@H](C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC000901671095 1129942905 /nfs/dbraw/zinc/94/29/05/1129942905.db2.gz BJOLOBSGXJYZIO-AWEZNQCLSA-N 0 1 295.382 3.547 20 0 CHADMN CCOc1ccc(NCc2[nH]nc3ccccc32)cc1F ZINC000770495620 1129947821 /nfs/dbraw/zinc/94/78/21/1129947821.db2.gz SXGGLHAPRAOKPA-UHFFFAOYSA-N 0 1 285.322 3.713 20 0 CHADMN FC(F)Oc1ccc(NCc2[nH]nc3ccccc32)cc1 ZINC000770480852 1129950011 /nfs/dbraw/zinc/95/00/11/1129950011.db2.gz SFJDNQVWXGFVHX-UHFFFAOYSA-N 0 1 289.285 3.776 20 0 CHADMN Cc1cccc(-c2nnc([C@H](C)N3CCCC4(CC4)C3)o2)c1 ZINC000770702301 1129956798 /nfs/dbraw/zinc/95/67/98/1129956798.db2.gz XPXYYQSFFXXJNN-AWEZNQCLSA-N 0 1 297.402 3.982 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1cnc(C(C)C)s1 ZINC000770746744 1129958558 /nfs/dbraw/zinc/95/85/58/1129958558.db2.gz OCLIYKCSUSRCGI-GFCCVEGCSA-N 0 1 275.421 3.821 20 0 CHADMN CCC[C@@H](C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ccccc1 ZINC000901888195 1129964801 /nfs/dbraw/zinc/96/48/01/1129964801.db2.gz AATYHHIJMCJQBQ-PVAVHDDUSA-N 0 1 289.419 3.613 20 0 CHADMN CCc1cccc2cc(C[N@H+](CC(=O)[O-])[C@@H](C)CC)oc21 ZINC000901987365 1129969991 /nfs/dbraw/zinc/96/99/91/1129969991.db2.gz HAFCYLPCSHNYIA-LBPRGKRZSA-N 0 1 289.375 3.680 20 0 CHADMN CC[C@@H](C[N@H+]1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1 ZINC000901997035 1129970528 /nfs/dbraw/zinc/97/05/28/1129970528.db2.gz KXXHTJAMPAIMNN-DOTOQJQBSA-N 0 1 289.419 3.900 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000902006507 1129971428 /nfs/dbraw/zinc/97/14/28/1129971428.db2.gz GFFSSYMXXRIMSI-LUKYLMHMSA-N 0 1 293.451 3.944 20 0 CHADMN CCC[C@@H](C[N@H+]1CCC[C@@H]1CC(=O)[O-])c1ccccc1 ZINC000902007703 1129971524 /nfs/dbraw/zinc/97/15/24/1129971524.db2.gz OSRGZEPKFUYUET-JKSUJKDBSA-N 0 1 275.392 3.509 20 0 CHADMN Cc1ccc([C@H](C)C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000902021122 1129971675 /nfs/dbraw/zinc/97/16/75/1129971675.db2.gz ZIAIUQZYIWMVSU-ZBFHGGJFSA-N 0 1 277.408 3.530 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CC[C@H](C)c1ccccc1 ZINC000902021779 1129971959 /nfs/dbraw/zinc/97/19/59/1129971959.db2.gz HOEWSNVKVVOVQO-HOCLYGCPSA-N 0 1 277.408 3.611 20 0 CHADMN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1C[C@@H]1CC=CCC1 ZINC000902045698 1129973957 /nfs/dbraw/zinc/97/39/57/1129973957.db2.gz INFUVLPGQKQFAF-PVAVHDDUSA-N 0 1 291.435 3.698 20 0 CHADMN CNc1ccc(C)cc1CNCc1cc(C)ccc1OC ZINC000902052385 1129975150 /nfs/dbraw/zinc/97/51/50/1129975150.db2.gz FMXRDOWJMOCBIL-UHFFFAOYSA-N 0 1 284.403 3.644 20 0 CHADMN CC(C)Oc1cccc(CN[C@@H](C)c2ccc(F)cn2)c1 ZINC000771383063 1129977609 /nfs/dbraw/zinc/97/76/09/1129977609.db2.gz KKZZWDASRKKPOX-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H](C)c1ccnc(Cl)c1 ZINC000771388670 1129979574 /nfs/dbraw/zinc/97/95/74/1129979574.db2.gz OYCZXYKSADVPKV-NEPJUHHUSA-N 0 1 275.783 3.850 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)c1cc2occc2[nH]1 ZINC000771503780 1129982746 /nfs/dbraw/zinc/98/27/46/1129982746.db2.gz HZAZTDCIFCJXOV-UHFFFAOYSA-N 0 1 294.669 3.511 20 0 CHADMN CNc1ccc(C)cc1CNCc1ccc(F)cc1F ZINC000902129616 1129983466 /nfs/dbraw/zinc/98/34/66/1129983466.db2.gz AWVSQLOHACGYES-UHFFFAOYSA-N 0 1 276.330 3.605 20 0 CHADMN CNc1ccccc1CNC1(c2ccc(F)cc2)CC1 ZINC000902206029 1129989024 /nfs/dbraw/zinc/98/90/24/1129989024.db2.gz HKVCPQUTLOIUSW-UHFFFAOYSA-N 0 1 270.351 3.646 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC000902260332 1129993910 /nfs/dbraw/zinc/99/39/10/1129993910.db2.gz WNARRMSZOPZFNF-DANTVBBOSA-N 0 1 291.391 3.636 20 0 CHADMN CNc1ccccc1CNCc1cc(F)ccc1SC ZINC000902290195 1129997077 /nfs/dbraw/zinc/99/70/77/1129997077.db2.gz YIZARJOUFKDUJD-UHFFFAOYSA-N 0 1 290.407 3.879 20 0 CHADMN CCCc1nc(CSCc2[nH]ncc2C)cs1 ZINC000902296916 1129998152 /nfs/dbraw/zinc/99/81/52/1129998152.db2.gz MGUMMBYDJFYRKX-UHFFFAOYSA-N 0 1 267.423 3.561 20 0 CHADMN C[C@@H](NCc1cscc1Cl)[C@H](O)c1cccc(F)c1 ZINC000771967919 1129999074 /nfs/dbraw/zinc/99/90/74/1129999074.db2.gz GJRILHRVSHHEEL-OTYXRUKQSA-N 0 1 299.798 3.752 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)cc1Cl ZINC000902325548 1129999613 /nfs/dbraw/zinc/99/96/13/1129999613.db2.gz LIQUGPYEXXLYHV-CYBMUJFWSA-N 0 1 293.794 3.660 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCCC1CC1 ZINC000772098702 1130003299 /nfs/dbraw/zinc/00/32/99/1130003299.db2.gz ATJGOQCREJQUKB-UHFFFAOYSA-N 0 1 284.359 3.650 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OC/C=C\Cl ZINC000772101080 1130004350 /nfs/dbraw/zinc/00/43/50/1130004350.db2.gz CDBFGKXICKUTAN-DAXSKMNVSA-N 0 1 290.750 3.603 20 0 CHADMN COc1ccc(-c2ccc3nc(C)[nH]c3c2)cc1OC ZINC001239616326 1130012774 /nfs/dbraw/zinc/01/27/74/1130012774.db2.gz SXDVWKAMRZKBBY-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN CCc1oc(C[N@@H+](C)[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000902508795 1130018550 /nfs/dbraw/zinc/01/85/50/1130018550.db2.gz UJBDDUULWIPRAO-LBPRGKRZSA-N 0 1 287.359 3.733 20 0 CHADMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1ccc(/C=C\C(=O)[O-])o1)C1CC1 ZINC000902516884 1130018707 /nfs/dbraw/zinc/01/87/07/1130018707.db2.gz MWMMRTGVYWBXTB-GWJJPBGRSA-N 0 1 291.391 3.776 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902519359 1130019610 /nfs/dbraw/zinc/01/96/10/1130019610.db2.gz WEWNZGRVHQXQQZ-SAKYYROYSA-N 0 1 289.375 3.530 20 0 CHADMN CCC[C@H](C)[N@@H+](C)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902524552 1130020212 /nfs/dbraw/zinc/02/02/12/1130020212.db2.gz VQQDTHPYKIZLIV-LBPRGKRZSA-N 0 1 286.375 3.553 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1nccc2ccccc21 ZINC000772445085 1130021456 /nfs/dbraw/zinc/02/14/56/1130021456.db2.gz HDUXBXZMBAARNO-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN Cc1cc(C[N@H+](C)[C@@H](C)C2CCCCC2)oc1C(=O)[O-] ZINC000902546137 1130022048 /nfs/dbraw/zinc/02/20/48/1130022048.db2.gz SAQFBTKWIYKNQW-LBPRGKRZSA-N 0 1 279.380 3.687 20 0 CHADMN Fc1nc2nc[nH]c2c(-c2cccc(-c3ccccc3)c2)n1 ZINC001239652443 1130032833 /nfs/dbraw/zinc/03/28/33/1130032833.db2.gz MGIKULXKQVMNGA-UHFFFAOYSA-N 0 1 290.301 3.778 20 0 CHADMN CNc1ccc(C)cc1CN[C@H](c1ccccn1)C1CC1 ZINC000902654213 1130034539 /nfs/dbraw/zinc/03/45/39/1130034539.db2.gz GNOCWIYBQURTML-SFHVURJKSA-N 0 1 281.403 3.673 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)O[C@H](C)C1CC1 ZINC000772645579 1130034589 /nfs/dbraw/zinc/03/45/89/1130034589.db2.gz QJIBMKQPXPKJIH-GFCCVEGCSA-N 0 1 284.359 3.649 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OC[C@@H]1C[C@H]1C ZINC000772646986 1130034685 /nfs/dbraw/zinc/03/46/85/1130034685.db2.gz VXFAKGHZCKLBCO-RISCZKNCSA-N 0 1 284.359 3.506 20 0 CHADMN C/C(=C\C(C)(C)C)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000772658637 1130035971 /nfs/dbraw/zinc/03/59/71/1130035971.db2.gz VOMPOWXFECLMSN-ZRDIBKRKSA-N 0 1 291.439 3.658 20 0 CHADMN CCC[C@@H](NCc1cc(CC)n[nH]1)c1ccsc1 ZINC000785566717 1130042861 /nfs/dbraw/zinc/04/28/61/1130042861.db2.gz WSBWJMCSNNQAOT-CQSZACIVSA-N 0 1 263.410 3.665 20 0 CHADMN COC(=O)c1ccc([C@H](C)N[C@H](C)c2ccccn2)c(C)c1 ZINC000902721018 1130043643 /nfs/dbraw/zinc/04/36/43/1130043643.db2.gz SFGLYZOCDGHSFY-UONOGXRCSA-N 0 1 298.386 3.588 20 0 CHADMN COc1cccc(OC)c1-c1cccc(CN(C)C)c1F ZINC001239674898 1130046974 /nfs/dbraw/zinc/04/69/74/1130046974.db2.gz TWCPVHHQUONKQB-UHFFFAOYSA-N 0 1 289.350 3.572 20 0 CHADMN CC[C@H](C(=O)OCc1ccc2occc2c1)N(CC)CC ZINC000802850436 1130051199 /nfs/dbraw/zinc/05/11/99/1130051199.db2.gz AINMVPGTEYMOHW-OAHLLOKOSA-N 0 1 289.375 3.596 20 0 CHADMN CCC(CC)[C@@H](N[C@H](C)c1cn(C)nn1)c1cccs1 ZINC000902779390 1130056249 /nfs/dbraw/zinc/05/62/49/1130056249.db2.gz WKMHQCSCFVBOES-IAQYHMDHSA-N 0 1 292.452 3.705 20 0 CHADMN CCc1ccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)s1 ZINC000785877323 1130058188 /nfs/dbraw/zinc/05/81/88/1130058188.db2.gz SETBPDMCHGXNJC-UHFFFAOYSA-N 0 1 289.335 3.578 20 0 CHADMN CCCn1cc([C@H](C)N[C@H](c2ccccc2C)C2CC2)nn1 ZINC000902801673 1130059779 /nfs/dbraw/zinc/05/97/79/1130059779.db2.gz DHELICFGHLMQQT-KSSFIOAISA-N 0 1 298.434 3.798 20 0 CHADMN CCCn1cc([C@H](C)N[C@@H]2c3ccccc3CC[C@@H]2C)nn1 ZINC000902889464 1130079480 /nfs/dbraw/zinc/07/94/80/1130079480.db2.gz KAIBWYNRZYEBBK-DEYYWGMASA-N 0 1 298.434 3.662 20 0 CHADMN Cc1cc(-c2cc(Cl)c([O-])c(Cl)c2)c[nH+]c1N ZINC001242854207 1130092929 /nfs/dbraw/zinc/09/29/29/1130092929.db2.gz UZYRWZUTBBKBFB-UHFFFAOYSA-N 0 1 269.131 3.652 20 0 CHADMN CCCn1cc([C@@H](C)N[C@H]2C[C@H](c3ccccc3C)C2)nn1 ZINC000902979912 1130095037 /nfs/dbraw/zinc/09/50/37/1130095037.db2.gz VRJOPKIAODKBBT-BZUAXINKSA-N 0 1 298.434 3.593 20 0 CHADMN F[C@@H]1CCCN(C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000902991326 1130097397 /nfs/dbraw/zinc/09/73/97/1130097397.db2.gz OKXUOZULZUUWQV-IXDOHACOSA-N 0 1 277.383 3.731 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000903114103 1130115847 /nfs/dbraw/zinc/11/58/47/1130115847.db2.gz UDTYMMRMAXLARS-GJZGRUSLSA-N 0 1 298.434 3.798 20 0 CHADMN CO[C@@H]1CCC[C@H]1N[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000903130825 1130117122 /nfs/dbraw/zinc/11/71/22/1130117122.db2.gz OUKQMIAUVZEHRY-QRQLOZEOSA-N 0 1 296.414 3.637 20 0 CHADMN Cc1cscc1CN[C@@H](C)c1cccnc1Cl ZINC000786927339 1130123183 /nfs/dbraw/zinc/12/31/83/1130123183.db2.gz LEQOGDZWDSIOKK-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1cnn(CC2CCC2)c1 ZINC000903185078 1130126153 /nfs/dbraw/zinc/12/61/53/1130126153.db2.gz HCXHNTBLFHLKGZ-APHBMKBZSA-N 0 1 279.403 3.615 20 0 CHADMN COc1ccc(-c2nc(C(C)(C)C)nc3nc[nH]c32)c(C)c1 ZINC001239826221 1130126884 /nfs/dbraw/zinc/12/68/84/1130126884.db2.gz REIXMFGGSYRNEL-UHFFFAOYSA-N 0 1 296.374 3.634 20 0 CHADMN C[C@H](NCc1cc(N(C)C)ccn1)c1cc2ccccc2o1 ZINC000903202483 1130129344 /nfs/dbraw/zinc/12/93/44/1130129344.db2.gz CUUUREKZEFDECF-ZDUSSCGKSA-N 0 1 295.386 3.745 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccc3c(c2)ncn3C)o1 ZINC000903204687 1130130471 /nfs/dbraw/zinc/13/04/71/1130130471.db2.gz UGNVKWWWHLFZAV-GFCCVEGCSA-N 0 1 283.375 3.580 20 0 CHADMN COc1ccc(C2(N[C@H](C)CCCC(C)C)COC2)cc1 ZINC001170068218 1130131988 /nfs/dbraw/zinc/13/19/88/1130131988.db2.gz GDKPTZQKHDYJRB-OAHLLOKOSA-N 0 1 291.435 3.725 20 0 CHADMN c1ccc([C@H](N[C@@H]2CCCc3cccnc32)C2CC2)nc1 ZINC000903226341 1130132317 /nfs/dbraw/zinc/13/23/17/1130132317.db2.gz LAPFFBIDSZPYTD-SJLPKXTDSA-N 0 1 279.387 3.595 20 0 CHADMN CC[C@H](NCc1cnn(CC2CCC2)c1)c1ccsc1 ZINC000903239953 1130133733 /nfs/dbraw/zinc/13/37/33/1130133733.db2.gz NQQXNTGMCHJYOH-INIZCTEOSA-N 0 1 289.448 3.986 20 0 CHADMN CC(C)(CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1)C1CC1 ZINC000903244397 1130134952 /nfs/dbraw/zinc/13/49/52/1130134952.db2.gz UCBSFXLJWMDNPS-OAHLLOKOSA-N 0 1 287.382 3.664 20 0 CHADMN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1N[C@@H](c1ccccc1)c1ccccn1 ZINC000903252473 1130136920 /nfs/dbraw/zinc/13/69/20/1130136920.db2.gz DFKGBQRHZRINSI-HSAPRAMBSA-N 0 1 278.399 3.805 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2CCOC23CCCCC3)cs1 ZINC000903267473 1130140501 /nfs/dbraw/zinc/14/05/01/1130140501.db2.gz DESMJTOTHSJQOB-SMDDNHRTSA-N 0 1 280.437 3.594 20 0 CHADMN CC(C)c1ccccc1-c1cccc(N2CCN(C)CC2)n1 ZINC001239866647 1130141604 /nfs/dbraw/zinc/14/16/04/1130141604.db2.gz LLWSOZJCBYUULU-UHFFFAOYSA-N 0 1 295.430 3.624 20 0 CHADMN c1c[nH]c([C@H](N[C@@H]2CCCC3(CC3)C2)c2ccccc2)n1 ZINC000903278431 1130144466 /nfs/dbraw/zinc/14/44/66/1130144466.db2.gz DNUWGYXLUBAWBP-HZPDHXFCSA-N 0 1 281.403 3.812 20 0 CHADMN Fc1ccc([C@@H](N[C@H]2CCCC3(CC3)C2)c2ncc[nH]2)cc1 ZINC000903280556 1130145178 /nfs/dbraw/zinc/14/51/78/1130145178.db2.gz VELGYMJLGFSNFM-JKSUJKDBSA-N 0 1 299.393 3.951 20 0 CHADMN Cc1cnc(C)c(-c2cc(N3CCCCC3)ccn2)c1 ZINC001239892738 1130148488 /nfs/dbraw/zinc/14/84/88/1130148488.db2.gz DHPBMMDNGQPCPH-UHFFFAOYSA-N 0 1 267.376 3.751 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2cncs2)cs1 ZINC000903308721 1130150034 /nfs/dbraw/zinc/15/00/34/1130150034.db2.gz BKEXEJPRAIAISP-UWVGGRQHSA-N 0 1 252.408 3.925 20 0 CHADMN Cc1c([C@@H](C)N[C@H](C)c2cncs2)cnn1C(C)(C)C ZINC000903310451 1130150700 /nfs/dbraw/zinc/15/07/00/1130150700.db2.gz JIGWXSIXQHXWDB-GHMZBOCLSA-N 0 1 292.452 3.815 20 0 CHADMN Cc1c([C@@H](C)N[C@@H](C)c2cncs2)cnn1C(C)(C)C ZINC000903310452 1130150964 /nfs/dbraw/zinc/15/09/64/1130150964.db2.gz JIGWXSIXQHXWDB-MNOVXSKESA-N 0 1 292.452 3.815 20 0 CHADMN CC(C)(C)c1coc(CN[C@@H]2CCC[C@@H]2CCCF)n1 ZINC000903313230 1130152219 /nfs/dbraw/zinc/15/22/19/1130152219.db2.gz LKDZZAYVWBNECB-CHWSQXEVSA-N 0 1 282.403 3.980 20 0 CHADMN CCC[C@@H](NCc1ccc2nonc2c1)c1cc(C)ccn1 ZINC000903327848 1130156293 /nfs/dbraw/zinc/15/62/93/1130156293.db2.gz AANCMODZRGSYQO-CQSZACIVSA-N 0 1 296.374 3.557 20 0 CHADMN Cc1cccnc1[C@H](N[C@H](C)c1ccnnc1)C(C)(C)C ZINC000903329979 1130157037 /nfs/dbraw/zinc/15/70/37/1130157037.db2.gz STFIKICGJYVVSM-CJNGLKHVSA-N 0 1 284.407 3.618 20 0 CHADMN Cc1cccnc1[C@@H](N[C@@H](C)c1ccnnc1)C(C)(C)C ZINC000903329981 1130157405 /nfs/dbraw/zinc/15/74/05/1130157405.db2.gz STFIKICGJYVVSM-XJKSGUPXSA-N 0 1 284.407 3.618 20 0 CHADMN O=C(Nc1ccc(C2CCC2)cc1)[C@H]1CCCN1C1CC1 ZINC000787690717 1130159045 /nfs/dbraw/zinc/15/90/45/1130159045.db2.gz MOWZZKSKQAUEOZ-QGZVFWFLSA-N 0 1 284.403 3.519 20 0 CHADMN Oc1ccc2c(c1)[C@H](N[C@@H](c1ccccn1)C1CC1)CCC2 ZINC000903335889 1130161136 /nfs/dbraw/zinc/16/11/36/1130161136.db2.gz UKIIDHVTCKRIAF-IEBWSBKVSA-N 0 1 294.398 3.906 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H](c1ccccn1)C1CC1 ZINC000903337803 1130161741 /nfs/dbraw/zinc/16/17/41/1130161741.db2.gz FQBFTRKULMGAMO-SCLBCKFNSA-N 0 1 282.387 3.892 20 0 CHADMN Oc1ccc2c(c1)[C@H](N[C@H](c1ccccn1)C1CC1)CCC2 ZINC000903335890 1130161771 /nfs/dbraw/zinc/16/17/71/1130161771.db2.gz UKIIDHVTCKRIAF-MJGOQNOKSA-N 0 1 294.398 3.906 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@@H](c2ccccn2)C2CC2)s1 ZINC000903338218 1130161854 /nfs/dbraw/zinc/16/18/54/1130161854.db2.gz HAUHYGDRMZNDQA-XHDPSFHLSA-N 0 1 287.432 3.957 20 0 CHADMN Fc1cccc2c1CC[C@H]2N[C@H](c1ccccn1)C1CC1 ZINC000903341452 1130163537 /nfs/dbraw/zinc/16/35/37/1130163537.db2.gz YJXKJKCVMFIMQV-AEFFLSMTSA-N 0 1 282.362 3.949 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H](c1ccccn1)C1CC1 ZINC000903341463 1130163552 /nfs/dbraw/zinc/16/35/52/1130163552.db2.gz YMBOMNCGCWGCIS-SUMWQHHRSA-N 0 1 267.376 3.587 20 0 CHADMN C[C@H](COCC1CCCCC1)N[C@@H](C)c1nccs1 ZINC000903353113 1130165858 /nfs/dbraw/zinc/16/58/58/1130165858.db2.gz BTTLRTRPGGJBGY-OLZOCXBDSA-N 0 1 282.453 3.779 20 0 CHADMN C[C@@H](NCc1ccc(CCO)cc1)c1ccccc1Cl ZINC000903395201 1130169496 /nfs/dbraw/zinc/16/94/96/1130169496.db2.gz BSAUHYVBVGFXNO-CYBMUJFWSA-N 0 1 289.806 3.726 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](c2ccncc2)C2CC2)o1 ZINC000903426948 1130175139 /nfs/dbraw/zinc/17/51/39/1130175139.db2.gz CXGSPAOALUSBDT-LRDDRELGSA-N 0 1 256.349 3.785 20 0 CHADMN C[C@@H](N[C@H](c1ccncc1)C1CC1)c1cc(O)ccc1F ZINC000903428454 1130176063 /nfs/dbraw/zinc/17/60/63/1130176063.db2.gz HJQQYPBJPJMLCE-DIFFPNOSSA-N 0 1 286.350 3.728 20 0 CHADMN Cc1ccc(F)c(-c2cc(F)c3c(c2)CN(C)CC3)c1 ZINC001239966714 1130176861 /nfs/dbraw/zinc/17/68/61/1130176861.db2.gz QZCILNPRPPDMJQ-UHFFFAOYSA-N 0 1 273.326 3.928 20 0 CHADMN Fc1ccc2c(c1)[C@H](NC/C=C\Cl)CCS2 ZINC000903442769 1130177427 /nfs/dbraw/zinc/17/74/27/1130177427.db2.gz TYXZSUZNJPAVOX-VJWLILGKSA-N 0 1 257.761 3.705 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)Cc1csc2ccccc12 ZINC000903596267 1130183311 /nfs/dbraw/zinc/18/33/11/1130183311.db2.gz STKRVONHBLCWNN-IAQYHMDHSA-N 0 1 291.416 3.832 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1CCCC2(CCCCC2)CC1 ZINC000903594363 1130183393 /nfs/dbraw/zinc/18/33/93/1130183393.db2.gz FWZZUFZEJNXBPC-HUUCEWRRSA-N 0 1 281.440 3.922 20 0 CHADMN C[C@@]1(c2ccccc2)CCC[N@H+]1CCCCCC(=O)[O-] ZINC000903622883 1130184284 /nfs/dbraw/zinc/18/42/84/1130184284.db2.gz QHCFJXBHXLKREY-KRWDZBQOSA-N 0 1 275.392 3.643 20 0 CHADMN CC(F)(F)CCC[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000903607488 1130184618 /nfs/dbraw/zinc/18/46/18/1130184618.db2.gz CQKLHRYAGOFHAK-UONOGXRCSA-N 0 1 297.345 3.712 20 0 CHADMN CCCC[N@@H+](C/C=C(/C)C(=O)[O-])Cc1c(C)oc(C)c1C ZINC000903635092 1130185433 /nfs/dbraw/zinc/18/54/33/1130185433.db2.gz CINJVWMXXPWLKF-WQLSENKSSA-N 0 1 293.407 3.838 20 0 CHADMN C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCCCC(=O)[O-] ZINC000903632129 1130185909 /nfs/dbraw/zinc/18/59/09/1130185909.db2.gz SZJFAJSSJQBWGR-WBVHZDCISA-N 0 1 289.419 3.900 20 0 CHADMN C[C@@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)[C@H]2CCCC[C@H]12 ZINC000903696299 1130190013 /nfs/dbraw/zinc/19/00/13/1130190013.db2.gz DWUVKKLFKPEDBE-KFWWJZLASA-N 0 1 279.424 3.532 20 0 CHADMN CC[C@H](C)[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1ccccc1 ZINC000903693125 1130190080 /nfs/dbraw/zinc/19/00/80/1130190080.db2.gz HNWVBYMQVDLQRO-HNNXBMFYSA-N 0 1 289.419 3.932 20 0 CHADMN Cc1ccc([C@@H](C)[N@@H+](C)CCC2(C(=O)[O-])CCC2)c(C)c1 ZINC000903696701 1130190659 /nfs/dbraw/zinc/19/06/59/1130190659.db2.gz MJUZSSMHNNZQOU-OAHLLOKOSA-N 0 1 289.419 3.941 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788501633 1130190895 /nfs/dbraw/zinc/19/08/95/1130190895.db2.gz GAWMFJGUNLDKDX-AWEZNQCLSA-N 0 1 272.779 3.821 20 0 CHADMN c1ncn2cc(-c3ccc(N4CCCCC4)cc3)ccc12 ZINC001240012345 1130192492 /nfs/dbraw/zinc/19/24/92/1130192492.db2.gz BYTKQBKMKRTKER-UHFFFAOYSA-N 0 1 277.371 3.992 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@H]2/C=C/c2ccccc2)CCC1 ZINC000903708075 1130192496 /nfs/dbraw/zinc/19/24/96/1130192496.db2.gz XFRUEVUBPMHKIY-FVNWOWOISA-N 0 1 299.414 3.809 20 0 CHADMN c1ncn2cccc(-c3ccc(N4CCCCC4)cc3)c12 ZINC001240020061 1130195187 /nfs/dbraw/zinc/19/51/87/1130195187.db2.gz XMHUETBSLVGMDX-UHFFFAOYSA-N 0 1 277.371 3.992 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1ccc(C(=O)NC(C)C)cc1 ZINC001240022995 1130196574 /nfs/dbraw/zinc/19/65/74/1130196574.db2.gz JRTKDNTUWTZTLE-UHFFFAOYSA-N 0 1 293.370 3.677 20 0 CHADMN COc1ccc(-c2cc(F)c3c(c2)CN(C)CC3)c(F)c1 ZINC001240024945 1130197025 /nfs/dbraw/zinc/19/70/25/1130197025.db2.gz PCEFHCWRSFKPBW-UHFFFAOYSA-N 0 1 289.325 3.628 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903887453 1130208236 /nfs/dbraw/zinc/20/82/36/1130208236.db2.gz RVTIMNWMALEMFC-MRXNPFEDSA-N 0 1 298.386 3.553 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)CC1 ZINC000903889552 1130208397 /nfs/dbraw/zinc/20/83/97/1130208397.db2.gz NZUCVFBKZHEYQL-ZDUSSCGKSA-N 0 1 298.386 3.555 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CC3CCC1CC3)C2 ZINC000903906921 1130210031 /nfs/dbraw/zinc/21/00/31/1130210031.db2.gz NXIKZKCMMVCJHD-SEEARECTSA-N 0 1 285.387 3.527 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CC3CCC1CC3)C2 ZINC000903906922 1130210148 /nfs/dbraw/zinc/21/01/48/1130210148.db2.gz NXIKZKCMMVCJHD-ZUEPYMLJSA-N 0 1 285.387 3.527 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])CC1CC(C)C1 ZINC000903907800 1130210159 /nfs/dbraw/zinc/21/01/59/1130210159.db2.gz UAPQSKFQZXIFLW-XUJLQICISA-N 0 1 275.392 3.570 20 0 CHADMN CCCCNC(=O)c1cccc(-c2cccc3nc[nH]c32)c1 ZINC001240085303 1130210393 /nfs/dbraw/zinc/21/03/93/1130210393.db2.gz GDBZXYKJNDMIOV-UHFFFAOYSA-N 0 1 293.370 3.760 20 0 CHADMN CC(C)c1ccccc1C[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000903905166 1130210593 /nfs/dbraw/zinc/21/05/93/1130210593.db2.gz YQOMFOCLLRTJBO-GOSISDBHSA-N 0 1 289.419 3.743 20 0 CHADMN Cc1ccc(C[N@@H+](CCCC(C)C)C[C@@H]2C[C@H]2C(=O)[O-])o1 ZINC000903912624 1130210768 /nfs/dbraw/zinc/21/07/68/1130210768.db2.gz FXTQPKWKYOBSFL-GOEBONIOSA-N 0 1 293.407 3.547 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCC2CCCCC2)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903951460 1130211184 /nfs/dbraw/zinc/21/11/84/1130211184.db2.gz KGTFGLGNIWTEQH-HOSILWTGSA-N 0 1 281.440 3.776 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](C/C=C\c2ccccc2)[C@H](C)[C@H]1C(=O)[O-] ZINC000903950504 1130211630 /nfs/dbraw/zinc/21/16/30/1130211630.db2.gz QCKIVZDESBEZHQ-HHAQBISNSA-N 0 1 287.403 3.519 20 0 CHADMN Cc1cccc(C)c1C[N@@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]1C ZINC000903951712 1130212538 /nfs/dbraw/zinc/21/25/38/1130212538.db2.gz VAZFRHHADNMLMN-KLZNWCGWSA-N 0 1 289.419 3.623 20 0 CHADMN Cc1cc(C[N@@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]2C)c(C)s1 ZINC000903951707 1130212887 /nfs/dbraw/zinc/21/28/87/1130212887.db2.gz VAHKPDNDSIUGOR-MAWWSGROSA-N 0 1 295.448 3.685 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC3CCC2CC3)[C@H](C)[C@H]1C(=O)[O-] ZINC000903951894 1130212911 /nfs/dbraw/zinc/21/29/11/1130212911.db2.gz IOPPDNNHDBGIIL-PZRZNTKMSA-N 0 1 293.451 3.632 20 0 CHADMN CC(C)CCC[C@@H](C)N1CCN(c2ncccc2F)CC1 ZINC001170090756 1130213332 /nfs/dbraw/zinc/21/33/32/1130213332.db2.gz OHDRWGUSEWGLIB-OAHLLOKOSA-N 0 1 293.430 3.558 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCCc2ccsc2)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903954735 1130213620 /nfs/dbraw/zinc/21/36/20/1130213620.db2.gz ZKGYENBOTVVNJU-UKTARXLSSA-N 0 1 295.448 3.500 20 0 CHADMN Cc1cc([C@H]2CCCN2CCCCOC(C)(C)C)no1 ZINC000789305594 1130242479 /nfs/dbraw/zinc/24/24/79/1130242479.db2.gz KUKDCUGOUJZGQX-OAHLLOKOSA-N 0 1 280.412 3.715 20 0 CHADMN C[C@@H]1CC[C@H](CN2CCC[C@H]2c2ccc(F)c(F)c2)O1 ZINC000789323420 1130243961 /nfs/dbraw/zinc/24/39/61/1130243961.db2.gz IKUVIVGOAGHHEM-KFNAQCHYSA-N 0 1 281.346 3.669 20 0 CHADMN Cc1nc2ccc(-c3cccc(-n4cccn4)c3)cc2[nH]1 ZINC001240247793 1130245724 /nfs/dbraw/zinc/24/57/24/1130245724.db2.gz JHNJJGHPHFVCQF-UHFFFAOYSA-N 0 1 274.327 3.724 20 0 CHADMN c1nc2cc[nH]c(-c3cccc(N4CCCCC4)c3)c-2n1 ZINC001240248747 1130246749 /nfs/dbraw/zinc/24/67/49/1130246749.db2.gz AVWLYPHCIROPQY-UHFFFAOYSA-N 0 1 278.359 3.615 20 0 CHADMN c1nc2c(ccnc2-c2cccc(N3CCCCC3)c2)[nH]1 ZINC001240248747 1130246755 /nfs/dbraw/zinc/24/67/55/1130246755.db2.gz AVWLYPHCIROPQY-UHFFFAOYSA-N 0 1 278.359 3.615 20 0 CHADMN Cc1cc(C)cc([C@H](O)CN2CC[C@H]2c2cccc(F)c2)c1 ZINC000748832058 1130251379 /nfs/dbraw/zinc/25/13/79/1130251379.db2.gz DCEAIRBZRSGQKL-RBUKOAKNSA-N 0 1 299.389 3.923 20 0 CHADMN Cc1cccc(F)c1-c1cccc(CCN2CCOCC2)c1 ZINC001240270767 1130254125 /nfs/dbraw/zinc/25/41/25/1130254125.db2.gz NTICIHNBQIHKRJ-UHFFFAOYSA-N 0 1 299.389 3.676 20 0 CHADMN Cn1cc(-c2cccc3c2CN(Cc2ccccc2)C3)cn1 ZINC001240295442 1130257001 /nfs/dbraw/zinc/25/70/01/1130257001.db2.gz SYHCMRPPGHBKBQ-UHFFFAOYSA-N 0 1 289.382 3.603 20 0 CHADMN Cc1csc(CN2CC[C@]3(CC3(F)F)C2)c1Cl ZINC001137291102 1130306012 /nfs/dbraw/zinc/30/60/12/1130306012.db2.gz DVPODBPRHLYOIC-NSHDSACASA-N 0 1 277.767 3.941 20 0 CHADMN Cc1nc2ccc(-c3ccnc(C(F)(F)F)c3)cc2[nH]1 ZINC001240338275 1130268636 /nfs/dbraw/zinc/26/86/36/1130268636.db2.gz CRLCDQCMGCCQQE-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN Cc1cc(-c2ccnc(C(F)(F)F)c2)cc2nc[nH]c21 ZINC001240338881 1130269463 /nfs/dbraw/zinc/26/94/63/1130269463.db2.gz TYNSKFUZMVGCIK-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN CN(C)Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1F ZINC000749156173 1130269622 /nfs/dbraw/zinc/26/96/22/1130269622.db2.gz XXBVGRZDGJHNRT-DHZHZOJOSA-N 0 1 298.361 3.539 20 0 CHADMN c1cc2cnc(-c3ccc4ncsc4c3)cc2[nH]1 ZINC001240341065 1130270133 /nfs/dbraw/zinc/27/01/33/1130270133.db2.gz HLGZHUIUBFNXCP-UHFFFAOYSA-N 0 1 251.314 3.840 20 0 CHADMN CCN(CC(=O)Nc1ccccc1CCC(C)C)C1CC1 ZINC000676843089 1130273369 /nfs/dbraw/zinc/27/33/69/1130273369.db2.gz SRCMHKZQYCPHLM-UHFFFAOYSA-N 0 1 288.435 3.698 20 0 CHADMN CCCCO[C@@H]1C[C@H](NC/C(Cl)=C/Cl)C1(C)C ZINC001170120265 1130277115 /nfs/dbraw/zinc/27/71/15/1130277115.db2.gz ZXYNAZIIJLHIBA-NVSPSJGQSA-N 0 1 280.239 3.879 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1ccc(-c2cnn(C)c2)cc1 ZINC001240365171 1130278598 /nfs/dbraw/zinc/27/85/98/1130278598.db2.gz PSCXKQJORUQAPJ-UHFFFAOYSA-N 0 1 288.354 3.939 20 0 CHADMN Fc1cccc(-n2ccc(CN3CCC[C@H](C4CC4)C3)n2)c1 ZINC000677051444 1130284304 /nfs/dbraw/zinc/28/43/04/1130284304.db2.gz KXRHYVKTKDSCGU-HNNXBMFYSA-N 0 1 299.393 3.633 20 0 CHADMN Cc1c(F)ccnc1C1=CCCN(Cc2ccccc2)C1 ZINC001240385794 1130284607 /nfs/dbraw/zinc/28/46/07/1130284607.db2.gz KVUVPLWHPHVCPV-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N1CCC[C@@H](C2CC2)C1 ZINC000677061525 1130287159 /nfs/dbraw/zinc/28/71/59/1130287159.db2.gz CNINIDDAPJKLQX-CZUORRHYSA-N 0 1 297.402 3.920 20 0 CHADMN Cc1c(N)ccnc1-c1ccc(C(F)(F)F)cc1F ZINC001240396606 1130291244 /nfs/dbraw/zinc/29/12/44/1130291244.db2.gz RNXCIJDMZJXDIL-UHFFFAOYSA-N 0 1 270.229 3.797 20 0 CHADMN Cc1nc(-c2cnn(CCC(C)C)c2)cc2[nH]ccc21 ZINC001240418494 1130300603 /nfs/dbraw/zinc/30/06/03/1130300603.db2.gz PKOKHJHIGCDBNO-UHFFFAOYSA-N 0 1 268.364 3.781 20 0 CHADMN Cc1cccc2nc(CN3CC[C@@H](C)C(F)(F)CC3)cn21 ZINC001137295188 1130308769 /nfs/dbraw/zinc/30/87/69/1130308769.db2.gz BYISZDPUMDZUKL-GFCCVEGCSA-N 0 1 293.361 3.510 20 0 CHADMN CCCCCOc1ccc(CNCc2cc(C)ncn2)cc1 ZINC000677424930 1130311785 /nfs/dbraw/zinc/31/17/85/1130311785.db2.gz DJGRIBCXXDSRFI-UHFFFAOYSA-N 0 1 299.418 3.644 20 0 CHADMN C[C@H]1CCSCCN1Cn1c2ccccc2oc1=S ZINC000790481264 1130315141 /nfs/dbraw/zinc/31/51/41/1130315141.db2.gz PSEAURLQOMOVGP-NSHDSACASA-N 0 1 294.445 3.749 20 0 CHADMN CSc1ccc(F)c(-c2cncc3nc(C)[nH]c32)c1F ZINC001243216250 1130323928 /nfs/dbraw/zinc/32/39/28/1130323928.db2.gz HXONODMSWOQYNN-UHFFFAOYSA-N 0 1 291.326 3.933 20 0 CHADMN Cc1cc2cc(-c3cccc4nc(C)[nH]c43)cnc2[nH]1 ZINC001240489378 1130325705 /nfs/dbraw/zinc/32/57/05/1130325705.db2.gz DSAPMKDWFJATCQ-UHFFFAOYSA-N 0 1 262.316 3.723 20 0 CHADMN CC(C)c1cc(N[C@H]2CCCc3cn[nH]c32)nc(C(C)C)n1 ZINC000677745305 1130328798 /nfs/dbraw/zinc/32/87/98/1130328798.db2.gz JCMUXLRWFQCTPW-ZDUSSCGKSA-N 0 1 299.422 3.936 20 0 CHADMN CC(C)c1nc([C@@H](C)NC(=O)C[C@H](C)CC(C)(C)C)n[nH]1 ZINC000677841496 1130333417 /nfs/dbraw/zinc/33/34/17/1130333417.db2.gz BVCQOTVIWSQZJM-NWDGAFQWSA-N 0 1 294.443 3.568 20 0 CHADMN C[C@@H]1CC[C@H](N(Cc2cccnc2)Cc2cccnc2)C1 ZINC001170144936 1130335514 /nfs/dbraw/zinc/33/55/14/1130335514.db2.gz QLCAPYOFIRFXMI-QAPCUYQASA-N 0 1 281.403 3.667 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C[C@@H](O)C1CC1 ZINC000677892562 1130337108 /nfs/dbraw/zinc/33/71/08/1130337108.db2.gz AHUYJXRJZOVSMI-LKFCYVNXSA-N 0 1 288.218 3.757 20 0 CHADMN Cc1cccc(C)c1[C@H](C)OC(=O)c1ccc2cncn2c1 ZINC000790907839 1130340609 /nfs/dbraw/zinc/34/06/09/1130340609.db2.gz VOQPUFSZTQGTLJ-AWEZNQCLSA-N 0 1 294.354 3.869 20 0 CHADMN CCCCn1nc(C)c(CNCC=C(C)C)c1Cl ZINC000790995545 1130342949 /nfs/dbraw/zinc/34/29/49/1130342949.db2.gz IWBJRFITQNGRDQ-UHFFFAOYSA-N 0 1 269.820 3.701 20 0 CHADMN Cc1ccccc1-c1noc(CN2CC[C@H](C)[C@H](C)C2)n1 ZINC000678046915 1130346169 /nfs/dbraw/zinc/34/61/69/1130346169.db2.gz ZNXWWSIMSPLVBO-GXTWGEPZSA-N 0 1 285.391 3.523 20 0 CHADMN c1ncn2cc(-c3cccc(N4CCCC4)c3)ccc12 ZINC001240535947 1130348310 /nfs/dbraw/zinc/34/83/10/1130348310.db2.gz FGYUFDRPWVOMKZ-UHFFFAOYSA-N 0 1 263.344 3.602 20 0 CHADMN CN(Cc1cn[nH]c1)C(c1ccccc1)c1ccccc1 ZINC000678121939 1130352432 /nfs/dbraw/zinc/35/24/32/1130352432.db2.gz QGRKCOZKVKRPTP-UHFFFAOYSA-N 0 1 277.371 3.631 20 0 CHADMN CCC(CC)C[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000678130420 1130353296 /nfs/dbraw/zinc/35/32/96/1130353296.db2.gz OUQWWBLALMXREU-UHFFFAOYSA-N 0 1 289.419 3.723 20 0 CHADMN CCN(CCOC)Cc1cnc(C2CCCCC2)s1 ZINC000678134577 1130353585 /nfs/dbraw/zinc/35/35/85/1130353585.db2.gz WUDJKEKITGFPJQ-UHFFFAOYSA-N 0 1 282.453 3.659 20 0 CHADMN C[C@@H](COC(=O)c1c(F)cc(O)cc1F)c1ccccc1 ZINC000746985790 1130355833 /nfs/dbraw/zinc/35/58/33/1130355833.db2.gz JCBNGCJPLQFMQI-JTQLQIEISA-N 0 1 292.281 3.631 20 0 CHADMN CC(=O)Nc1ccc(CN(Cc2ccc(C)o2)C2CC2)cc1 ZINC000678134930 1130356100 /nfs/dbraw/zinc/35/61/00/1130356100.db2.gz BXBRVXIVRSDBOE-UHFFFAOYSA-N 0 1 298.386 3.711 20 0 CHADMN CCN(Cc1cn2cccc(F)c2n1)Cc1ccccc1C ZINC000678140448 1130360545 /nfs/dbraw/zinc/36/05/45/1130360545.db2.gz LQXGQOVKTMUSLV-UHFFFAOYSA-N 0 1 297.377 3.804 20 0 CHADMN CCN(Cc1n[nH]c2ccccc21)[C@H](C)c1cccc(O)c1 ZINC000678181239 1130367286 /nfs/dbraw/zinc/36/72/86/1130367286.db2.gz RCEGVKMCBPQYIR-CYBMUJFWSA-N 0 1 295.386 3.852 20 0 CHADMN CCN(Cc1[nH]nc2ccccc21)[C@H](C)c1cccc(O)c1 ZINC000678181239 1130367300 /nfs/dbraw/zinc/36/73/00/1130367300.db2.gz RCEGVKMCBPQYIR-CYBMUJFWSA-N 0 1 295.386 3.852 20 0 CHADMN CCc1ccc(CN2CCOc3ccccc3C2)s1 ZINC000678196001 1130368576 /nfs/dbraw/zinc/36/85/76/1130368576.db2.gz IEECZUZPQWONAL-UHFFFAOYSA-N 0 1 273.401 3.705 20 0 CHADMN COCc1ccc(CN2CCOc3ccccc3[C@@H]2C)cc1 ZINC000678197139 1130368748 /nfs/dbraw/zinc/36/87/48/1130368748.db2.gz UFCPGMVQONYRQT-HNNXBMFYSA-N 0 1 297.398 3.789 20 0 CHADMN CCNC(=O)Nc1ccc(-c2cc3[nH]cnc3cc2C)cc1 ZINC001240578771 1130370469 /nfs/dbraw/zinc/37/04/69/1130370469.db2.gz YSNFFDDZXHYKDX-UHFFFAOYSA-N 0 1 294.358 3.680 20 0 CHADMN c1cc2c(ccnc2-c2ccc(N3CCCCC3)nc2)[nH]1 ZINC001240581885 1130371111 /nfs/dbraw/zinc/37/11/11/1130371111.db2.gz UBZYNLDEUHHFFH-UHFFFAOYSA-N 0 1 278.359 3.615 20 0 CHADMN c1nc2cccc(-c3ccc(N4CCCCC4)nc3)c2[nH]1 ZINC001240584300 1130372280 /nfs/dbraw/zinc/37/22/80/1130372280.db2.gz QZPYFXVIAFEORC-UHFFFAOYSA-N 0 1 278.359 3.615 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1nn(C)c2ccccc12 ZINC000678241826 1130377712 /nfs/dbraw/zinc/37/77/12/1130377712.db2.gz PAVNBVHJFQMVHG-CQSZACIVSA-N 0 1 291.398 3.693 20 0 CHADMN Cc1cc(C)c(CN(C)Cc2cccc(Cl)c2)[nH]1 ZINC001137327815 1130379950 /nfs/dbraw/zinc/37/99/50/1130379950.db2.gz HMGJKJDOAPWGNS-UHFFFAOYSA-N 0 1 262.784 3.917 20 0 CHADMN CCn1c(CN2CC[C@H](c3ccco3)C2)nc2ccccc21 ZINC000678262476 1130381799 /nfs/dbraw/zinc/38/17/99/1130381799.db2.gz RDXKNOSCVXZTSP-AWEZNQCLSA-N 0 1 295.386 3.639 20 0 CHADMN Cc1cnccc1-c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC001240607855 1130384485 /nfs/dbraw/zinc/38/44/85/1130384485.db2.gz CGFPZOFAJRRWPH-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN C[C@@H]1C[C@H](C)N1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000791566572 1130386301 /nfs/dbraw/zinc/38/63/01/1130386301.db2.gz OUZZMJLNTBTHCJ-VYUIOLGVSA-N 0 1 274.191 3.510 20 0 CHADMN c1n[nH]c2c1CCN(Cc1cc(-c3ccccc3)cs1)C2 ZINC000678276056 1130387538 /nfs/dbraw/zinc/38/75/38/1130387538.db2.gz UBSFYWNZFYJGCW-UHFFFAOYSA-N 0 1 295.411 3.697 20 0 CHADMN CC(C)CCn1cccc1CN(C)CCOC(C)(C)C ZINC000678283708 1130390596 /nfs/dbraw/zinc/39/05/96/1130390596.db2.gz IMAATRONMOGMOW-UHFFFAOYSA-N 0 1 280.456 3.781 20 0 CHADMN Cc1cc(C)c(CN2CCN(c3cccc(C)c3C)CC2)[nH]1 ZINC001137329821 1130392780 /nfs/dbraw/zinc/39/27/80/1130392780.db2.gz QHNDIZLHEHHALP-UHFFFAOYSA-N 0 1 297.446 3.571 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2c[nH]c3ccc(F)cc23)CCC1(F)F ZINC001137335413 1130400355 /nfs/dbraw/zinc/40/03/55/1130400355.db2.gz RCSRDPPTKHMCDM-SNVBAGLBSA-N 0 1 282.309 3.784 20 0 CHADMN C[C@@H]1CN(Cc2c[nH]c3ccc(F)cc23)CCC1(F)F ZINC001137335413 1130400359 /nfs/dbraw/zinc/40/03/59/1130400359.db2.gz RCSRDPPTKHMCDM-SNVBAGLBSA-N 0 1 282.309 3.784 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H](C)C3CCCC3)ccc12 ZINC000678330184 1130401222 /nfs/dbraw/zinc/40/12/22/1130401222.db2.gz UOJWUKSBLRBXPR-JTQLQIEISA-N 0 1 271.364 3.636 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cc(F)c(F)c(OC)c1 ZINC001240662553 1130408202 /nfs/dbraw/zinc/40/82/02/1130408202.db2.gz ICMNHCVGBOLMTF-UHFFFAOYSA-N 0 1 290.269 3.525 20 0 CHADMN COc1cc(-c2cc3nc[nH]c3cc2F)cc(F)c1F ZINC001240663049 1130409161 /nfs/dbraw/zinc/40/91/61/1130409161.db2.gz BFBABSCKJYPEFP-UHFFFAOYSA-N 0 1 278.233 3.656 20 0 CHADMN COc1cccc2c1OCC[C@@H]2N[C@H](C)c1cnccc1C ZINC000678425855 1130414721 /nfs/dbraw/zinc/41/47/21/1130414721.db2.gz CWTXUCDDYNABQV-CJNGLKHVSA-N 0 1 298.386 3.573 20 0 CHADMN CCc1ccccc1NC(=O)CN[C@@H](C)c1ccsc1 ZINC000678580973 1130430312 /nfs/dbraw/zinc/43/03/12/1130430312.db2.gz KLSPUGWFIRXVIX-LBPRGKRZSA-N 0 1 288.416 3.600 20 0 CHADMN Clc1ccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000678639175 1130442919 /nfs/dbraw/zinc/44/29/19/1130442919.db2.gz NTMLDDPRFUHOQP-HOTGVXAUSA-N 0 1 293.838 3.979 20 0 CHADMN Cc1ccc2c(c1)CCN(C[C@@H]1CC1(Cl)Cl)C2 ZINC000792310753 1130443481 /nfs/dbraw/zinc/44/34/81/1130443481.db2.gz CSISRISGKAZTDF-ZDUSSCGKSA-N 0 1 270.203 3.547 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cccc(F)c1C ZINC001240731801 1130445116 /nfs/dbraw/zinc/44/51/16/1130445116.db2.gz XFECKRHNRWHCGR-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1NCc1cn2ccsc2n1 ZINC000678767458 1130450867 /nfs/dbraw/zinc/45/08/67/1130450867.db2.gz KKOLYYNULAJWFB-WBMJQRKESA-N 0 1 297.427 3.809 20 0 CHADMN COCOc1cc(C)ccc1-c1ccc2nc(C)[nH]c2c1 ZINC001240747803 1130452697 /nfs/dbraw/zinc/45/26/97/1130452697.db2.gz QIOXHCPIQVYDPW-UHFFFAOYSA-N 0 1 282.343 3.829 20 0 CHADMN COCOc1cc(C)ccc1-c1cccc2nc(C)[nH]c21 ZINC001240754327 1130454385 /nfs/dbraw/zinc/45/43/85/1130454385.db2.gz AIYGBBHGFPFCAM-UHFFFAOYSA-N 0 1 282.343 3.829 20 0 CHADMN CCO[C@@H](C)n1cc(-c2ccc(C3=NCCC3)cc2)cn1 ZINC001240752989 1130454962 /nfs/dbraw/zinc/45/49/62/1130454962.db2.gz JLRXPGZKBWCSMI-ZDUSSCGKSA-N 0 1 283.375 3.688 20 0 CHADMN Cc1ccc([C@H](NCc2c[nH]nc2C)C2CCCC2)o1 ZINC000678807802 1130457384 /nfs/dbraw/zinc/45/73/84/1130457384.db2.gz LMWYKDBIVAHUCY-MRXNPFEDSA-N 0 1 273.380 3.641 20 0 CHADMN Clc1ccc2c(c1)CN(Cc1[nH]nc3ccccc31)C2 ZINC001137350681 1130458092 /nfs/dbraw/zinc/45/80/92/1130458092.db2.gz CPOJKHJEUITRRH-UHFFFAOYSA-N 0 1 283.762 3.732 20 0 CHADMN CC[C@]1(C)CCCN(Cc2nc3c(s2)CCC3)C1 ZINC000678831538 1130462883 /nfs/dbraw/zinc/46/28/83/1130462883.db2.gz QZXCHOWMYJGJLB-OAHLLOKOSA-N 0 1 264.438 3.644 20 0 CHADMN COc1ccc(CN[C@H](CC2CC2)c2ccccc2)nc1 ZINC000678892839 1130468359 /nfs/dbraw/zinc/46/83/59/1130468359.db2.gz VARJUTWYHXBYBS-GOSISDBHSA-N 0 1 282.387 3.721 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1ccc(OC)cn1 ZINC000678882719 1130468538 /nfs/dbraw/zinc/46/85/38/1130468538.db2.gz KIYYQMIEXQUNQY-SFHVURJKSA-N 0 1 282.387 3.600 20 0 CHADMN CC[C@@H](C)n1nc(NCc2[nH]nc3ccccc32)cc1C ZINC000678940561 1130476643 /nfs/dbraw/zinc/47/66/43/1130476643.db2.gz GGKUVFXJLISNPU-LLVKDONJSA-N 0 1 283.379 3.651 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)N1CCc2ncsc2C1 ZINC001170288319 1130479099 /nfs/dbraw/zinc/47/90/99/1130479099.db2.gz MWBLJRALZIYMBY-NSHDSACASA-N 0 1 292.835 3.786 20 0 CHADMN C[C@H](Cc1ccccc1Cl)N1CCc2ccncc2C1 ZINC001170288536 1130481106 /nfs/dbraw/zinc/48/11/06/1130481106.db2.gz PRPRWLQOMYNVOM-CYBMUJFWSA-N 0 1 286.806 3.724 20 0 CHADMN CC(C)Oc1ccc(-c2ccc(CN(C)C)c(F)c2)cn1 ZINC001240810430 1130483026 /nfs/dbraw/zinc/48/30/26/1130483026.db2.gz XTRKJVKVGQATRR-UHFFFAOYSA-N 0 1 288.366 3.737 20 0 CHADMN Cc1nc2c[nH]cc(-c3ccc(C(F)(F)F)cc3)c-2n1 ZINC001240821443 1130485618 /nfs/dbraw/zinc/48/56/18/1130485618.db2.gz YPJSPKIYZAWCBI-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN Cc1nc2c(cncc2-c2ccc(C(F)(F)F)cc2)[nH]1 ZINC001240821443 1130485620 /nfs/dbraw/zinc/48/56/20/1130485620.db2.gz YPJSPKIYZAWCBI-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN C[C@H](CCc1ccc(Cl)s1)NCc1cocn1 ZINC000679051407 1130489110 /nfs/dbraw/zinc/48/91/10/1130489110.db2.gz WLQDDFUNXOUISB-SECBINFHSA-N 0 1 270.785 3.500 20 0 CHADMN Cc1cccc(F)c1-c1ccc(N2CCN(C)CC2)cc1 ZINC001240854479 1130493102 /nfs/dbraw/zinc/49/31/02/1130493102.db2.gz AZIXCYSKOKUKOL-UHFFFAOYSA-N 0 1 284.378 3.553 20 0 CHADMN CN1CCN(c2ccc(-c3ccc4ccoc4c3)cc2)CC1 ZINC001240854727 1130493344 /nfs/dbraw/zinc/49/33/44/1130493344.db2.gz HZPZFZOBHPLQCV-UHFFFAOYSA-N 0 1 292.382 3.852 20 0 CHADMN Cc1ccc(CN(CCC(=O)c2ccccc2)C2CC2)o1 ZINC000679124527 1130495568 /nfs/dbraw/zinc/49/55/68/1130495568.db2.gz IEGDUJPMHBJVPB-UHFFFAOYSA-N 0 1 283.371 3.825 20 0 CHADMN Cc1cc(C(=O)CN(C)[C@H]2CCCc3ccccc32)c(C)[nH]1 ZINC000679123979 1130495987 /nfs/dbraw/zinc/49/59/87/1130495987.db2.gz QSAGDWBPYCPRLR-SFHVURJKSA-N 0 1 296.414 3.824 20 0 CHADMN CC(C)CC1CCN(Cc2ccnn2C(C)C)CC1 ZINC000792839028 1130503174 /nfs/dbraw/zinc/50/31/74/1130503174.db2.gz JCDLEADIQKMEKO-UHFFFAOYSA-N 0 1 263.429 3.722 20 0 CHADMN Cc1cc(CN2CC[C@H](C)[C@@H](F)C2)c2ccccc2n1 ZINC000679227067 1130504850 /nfs/dbraw/zinc/50/48/50/1130504850.db2.gz WVYSVOPFYHISCI-LRDDRELGSA-N 0 1 272.367 3.723 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)[C@H](F)C2)c2ccccc2n1 ZINC000679227068 1130505062 /nfs/dbraw/zinc/50/50/62/1130505062.db2.gz WVYSVOPFYHISCI-MLGOLLRUSA-N 0 1 272.367 3.723 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1F ZINC000679228092 1130505262 /nfs/dbraw/zinc/50/52/62/1130505262.db2.gz VHBQXKZHUUHRKX-ZWNOBZJWSA-N 0 1 275.289 3.885 20 0 CHADMN CC(C)[C@H]1N(C[C@@H](O)c2cc(F)ccc2F)CC12CCC2 ZINC000793004610 1130512362 /nfs/dbraw/zinc/51/23/62/1130512362.db2.gz NNKPCQNVSKOAPI-HZPDHXFCSA-N 0 1 295.373 3.509 20 0 CHADMN CC(C)N(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(C)C ZINC000679320708 1130513411 /nfs/dbraw/zinc/51/34/11/1130513411.db2.gz IXFTYNOUJLUVBJ-UHFFFAOYSA-N 0 1 293.798 3.608 20 0 CHADMN CCOC(=O)c1cc2[nH]c(-c3cc(F)ccc3C)ccc-2n1 ZINC001240917035 1130516001 /nfs/dbraw/zinc/51/60/01/1130516001.db2.gz MHRMPHQCYKAVTE-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN CC(C)OC(=O)c1cccc(-c2cc3[nH]ccc3cn2)c1 ZINC001240944617 1130527779 /nfs/dbraw/zinc/52/77/79/1130527779.db2.gz WNJPKBVGRKPTEC-UHFFFAOYSA-N 0 1 280.327 3.795 20 0 CHADMN C[C@@H]1CC[C@H](C(F)(F)F)CN1CCC(F)(F)F ZINC000679544885 1130540021 /nfs/dbraw/zinc/54/00/21/1130540021.db2.gz IOLOYRRSRSGJLO-SFYZADRCSA-N 0 1 263.225 3.602 20 0 CHADMN Cc1c[nH]c2ncc(-c3cccc4nc(C)[nH]c43)cc12 ZINC001240964556 1130541020 /nfs/dbraw/zinc/54/10/20/1130541020.db2.gz RIIKNLJNROODPA-UHFFFAOYSA-N 0 1 262.316 3.723 20 0 CHADMN Cc1c[nH]c2ncc(-c3cccc(CN(C)C)c3F)cc12 ZINC001240969379 1130542694 /nfs/dbraw/zinc/54/26/94/1130542694.db2.gz QQRWZAIUYXQATF-UHFFFAOYSA-N 0 1 283.350 3.739 20 0 CHADMN c1ccc2c(c1)n[nH]c2CN1CCCc2ccccc21 ZINC000679579997 1130542691 /nfs/dbraw/zinc/54/26/91/1130542691.db2.gz PLQRKBRNTSYLLP-UHFFFAOYSA-N 0 1 263.344 3.516 20 0 CHADMN Cc1c[nH]c2ncc(-c3ccc(CN(C)C)c(F)c3)cc12 ZINC001240968623 1130543026 /nfs/dbraw/zinc/54/30/26/1130543026.db2.gz IYURUCGVSSWYDA-UHFFFAOYSA-N 0 1 283.350 3.739 20 0 CHADMN C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1cccc(O)c1 ZINC000679582793 1130543204 /nfs/dbraw/zinc/54/32/04/1130543204.db2.gz AAPPURPHQDDYHZ-PWSUYJOCSA-N 0 1 273.298 3.555 20 0 CHADMN CCc1nn(C)c(Cl)c1CN(C)[C@@H]1CCC(C)(C)C1 ZINC000793357000 1130544782 /nfs/dbraw/zinc/54/47/82/1130544782.db2.gz KGHNXRODWJBNMX-LLVKDONJSA-N 0 1 283.847 3.646 20 0 CHADMN CC(C)COc1cccc(CN2CCC(F)(F)CC2)c1 ZINC000793360127 1130544945 /nfs/dbraw/zinc/54/49/45/1130544945.db2.gz QIQJAIXXBOUGLE-UHFFFAOYSA-N 0 1 283.362 3.953 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cc2coc(C3CC3)n2)C1 ZINC000793370021 1130546838 /nfs/dbraw/zinc/54/68/38/1130546838.db2.gz MYTJDYKIQYVZKS-CYBMUJFWSA-N 0 1 262.397 3.810 20 0 CHADMN Fc1ccc2c(c1)[C@H](N1CCC[C@@H](OC(F)F)C1)CC2 ZINC000679683586 1130550768 /nfs/dbraw/zinc/55/07/68/1130550768.db2.gz ZWEMWMUAGDCZHU-TZMCWYRMSA-N 0 1 285.309 3.517 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)N1CCC[C@H](OC(F)F)C1 ZINC000679685618 1130550905 /nfs/dbraw/zinc/55/09/05/1130550905.db2.gz ZXJJGCFIECPDQH-KBPBESRZSA-N 0 1 287.325 3.980 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1cccc(N(C)C)c1 ZINC001240984780 1130551182 /nfs/dbraw/zinc/55/11/82/1130551182.db2.gz ALDGNHAXYIZTGR-UHFFFAOYSA-N 0 1 251.333 3.604 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CCC[C@H](OC(F)F)C1 ZINC000679678155 1130551395 /nfs/dbraw/zinc/55/13/95/1130551395.db2.gz KCIHWJYDQIOXLS-MFKMUULPSA-N 0 1 273.298 3.590 20 0 CHADMN C[C@H](c1ccccc1F)N1CCC[C@@H](OC(F)F)C1 ZINC000679681685 1130551330 /nfs/dbraw/zinc/55/13/30/1130551330.db2.gz JRWSHCYAVHRQQP-GHMZBOCLSA-N 0 1 273.298 3.590 20 0 CHADMN Cc1cc(-c2cccc(N(C)C)c2)cc2nc[nH]c21 ZINC001240984910 1130551422 /nfs/dbraw/zinc/55/14/22/1130551422.db2.gz GWYUJGYWHHXWTE-UHFFFAOYSA-N 0 1 251.333 3.604 20 0 CHADMN CC(C)Oc1ccccc1CN1CCC[C@@H](OC(F)F)C1 ZINC000679679525 1130552089 /nfs/dbraw/zinc/55/20/89/1130552089.db2.gz TXOOZAREKFCKBI-CQSZACIVSA-N 0 1 299.361 3.677 20 0 CHADMN O[C@H](CN(Cc1ccccc1)[C@H]1C=CCCC1)C(F)(F)F ZINC000679675213 1130552172 /nfs/dbraw/zinc/55/21/72/1130552172.db2.gz HLSIAAKKEMOGBS-LSDHHAIUSA-N 0 1 299.336 3.521 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C[C@H](C)CC(C)(C)C)c1 ZINC000679726086 1130552570 /nfs/dbraw/zinc/55/25/70/1130552570.db2.gz XQCAJWPWGAMMQP-NSHDSACASA-N 0 1 291.391 3.996 20 0 CHADMN Fc1ccc2oc(CN3CCC[C@H](OC(F)F)C3)cc2c1 ZINC000679741657 1130554658 /nfs/dbraw/zinc/55/46/58/1130554658.db2.gz YUKHSUJCSZSONV-LBPRGKRZSA-N 0 1 299.292 3.776 20 0 CHADMN C[C@H]1CCN(Cc2cccc(-c3ccncc3)c2)CCC1=O ZINC001137388454 1130556247 /nfs/dbraw/zinc/55/62/47/1130556247.db2.gz DHSBQFKZBVGMIQ-HNNXBMFYSA-N 0 1 294.398 3.550 20 0 CHADMN Cc1cc([C@@H]2CCCN2C[C@@H]2CCC(F)(F)C2)no1 ZINC000827331524 1130558184 /nfs/dbraw/zinc/55/81/84/1130558184.db2.gz ACLXCBCGWVIDKT-YPMHNXCESA-N 0 1 270.323 3.555 20 0 CHADMN CCOC(=[NH2+])c1cccc(-c2cc(C(=O)[O-])ccc2C)c1 ZINC001241002933 1130560526 /nfs/dbraw/zinc/56/05/26/1130560526.db2.gz PONXANNTDIRMHJ-UHFFFAOYSA-N 0 1 283.327 3.722 20 0 CHADMN Cc1cc(-c2ccccc2)nc(-c2ccccc2O)n1 ZINC001241003027 1130560604 /nfs/dbraw/zinc/56/06/04/1130560604.db2.gz FLWDEDAFUQSKEQ-UHFFFAOYSA-N 0 1 262.312 3.825 20 0 CHADMN CC[C@H](N[C@@H](C)c1cc(C)nn1C)c1ccccc1OC ZINC000793528349 1130561329 /nfs/dbraw/zinc/56/13/29/1130561329.db2.gz XBSRPJUGKGDABB-ZFWWWQNUSA-N 0 1 287.407 3.539 20 0 CHADMN Oc1ccccc1-c1ncc2c(n1)-c1ccccc1CC2 ZINC001241007670 1130561903 /nfs/dbraw/zinc/56/19/03/1130561903.db2.gz IGZRMSDLMBLLAW-UHFFFAOYSA-N 0 1 274.323 3.615 20 0 CHADMN Oc1ccccc1-c1nccc(Oc2ccc(F)cc2)n1 ZINC001241009741 1130564925 /nfs/dbraw/zinc/56/49/25/1130564925.db2.gz VJDNQLVHLZETLF-UHFFFAOYSA-N 0 1 282.274 3.781 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccccc2OC2CCC2)n(C)n1 ZINC000793543385 1130567937 /nfs/dbraw/zinc/56/79/37/1130567937.db2.gz ZVTAKDKRCIGJNO-CQSZACIVSA-N 0 1 299.418 3.511 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccc(C(C)C)c2)n(C)n1 ZINC000793556217 1130569564 /nfs/dbraw/zinc/56/95/64/1130569564.db2.gz FFHODMUZSAHJKN-CQSZACIVSA-N 0 1 271.408 3.703 20 0 CHADMN CCOc1cccc([C@H](C)N[C@@H](C)c2cc(C)nn2C)c1 ZINC000793529792 1130572009 /nfs/dbraw/zinc/57/20/09/1130572009.db2.gz VGCBZDIDSBPEFG-KBPBESRZSA-N 0 1 287.407 3.539 20 0 CHADMN CSc1cc(C)ccc1CN[C@@H](C)c1cc(C)nn1C ZINC000793529498 1130572191 /nfs/dbraw/zinc/57/21/91/1130572191.db2.gz BXDDKNDBZHNLPB-ZDUSSCGKSA-N 0 1 289.448 3.610 20 0 CHADMN Cc1ccc(-c2cnn(C[N@H+]3CCC4(CCC4)C3)c2)cc1 ZINC000758393470 1130609771 /nfs/dbraw/zinc/60/97/71/1130609771.db2.gz JWPVVJKFYRLCLV-UHFFFAOYSA-N 0 1 281.403 3.692 20 0 CHADMN CCCCN(CCC)Cc1c(Cl)nccc1N(C)C ZINC001234132001 1130611120 /nfs/dbraw/zinc/61/11/20/1130611120.db2.gz AWRQQWXDNYIVNM-UHFFFAOYSA-N 0 1 283.847 3.813 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1ccnc(Cl)c1Cl ZINC000811466852 1130611501 /nfs/dbraw/zinc/61/15/01/1130611501.db2.gz ZUMQSKZQHRBILE-SECBINFHSA-N 0 1 293.263 3.962 20 0 CHADMN CC(C)[C@H]1CCN(Cc2ccnc(Cl)c2Cl)C1 ZINC000811467170 1130612276 /nfs/dbraw/zinc/61/22/76/1130612276.db2.gz HAAFHELWGQHGHF-JTQLQIEISA-N 0 1 273.207 3.866 20 0 CHADMN FC(F)(F)C1(CNCc2ccnc(Cl)c2Cl)CC1 ZINC000811506342 1130617187 /nfs/dbraw/zinc/61/71/87/1130617187.db2.gz QZNHGXLBVHSANZ-UHFFFAOYSA-N 0 1 299.123 3.821 20 0 CHADMN Cc1cccc(-c2nnc([C@@H](C)N3CCC4(CCC4)C3)o2)c1 ZINC000758737729 1130623319 /nfs/dbraw/zinc/62/33/19/1130623319.db2.gz GPDRYQNKJCJMDC-CQSZACIVSA-N 0 1 297.402 3.982 20 0 CHADMN CCOc1ccc(O[C@@H]2CCC[N@H+](C(C)C)C2)c(Cl)c1 ZINC001234317546 1130635425 /nfs/dbraw/zinc/63/54/25/1130635425.db2.gz SRBVZIZNESEZQQ-CQSZACIVSA-N 0 1 297.826 3.990 20 0 CHADMN C[C@H](CN1CCSC[C@@H]1c1ccccc1)C(F)(F)F ZINC000441170902 1130637607 /nfs/dbraw/zinc/63/76/07/1130637607.db2.gz NWFXNXNZBZMBCG-DGCLKSJQSA-N 0 1 289.366 3.975 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1NCc1nc(Cl)cs1 ZINC000759188466 1130641784 /nfs/dbraw/zinc/64/17/84/1130641784.db2.gz AVRRRHKMMBOCBM-NXEZZACHSA-N 0 1 290.885 3.950 20 0 CHADMN Cc1cc(C(F)(F)F)nn1C[N@@H+]1CCC[C@H]1CC(C)C ZINC000811738991 1130641931 /nfs/dbraw/zinc/64/19/31/1130641931.db2.gz BOJXXHIQGJOZRV-LBPRGKRZSA-N 0 1 289.345 3.678 20 0 CHADMN Cc1cc(C(F)(F)F)nn1CN1CCC[C@H]1CC(C)C ZINC000811738991 1130641933 /nfs/dbraw/zinc/64/19/33/1130641933.db2.gz BOJXXHIQGJOZRV-LBPRGKRZSA-N 0 1 289.345 3.678 20 0 CHADMN C[C@@H](NCc1cccc(F)n1)c1ccc(OC(F)F)cc1 ZINC000747744379 1130648279 /nfs/dbraw/zinc/64/82/79/1130648279.db2.gz MQCPWRGTWBYXHN-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN CC1(C)CN(C[C@@H](O)c2ccc(F)cc2Cl)[C@H]1C1CC1 ZINC000811821638 1130650931 /nfs/dbraw/zinc/65/09/31/1130650931.db2.gz LPUZFKDNCNVVFP-CABCVRRESA-N 0 1 297.801 3.633 20 0 CHADMN CCO[C@@H]1C[C@H](NCc2ncc(C(C)C)o2)C1(CC)CC ZINC000759436739 1130658566 /nfs/dbraw/zinc/65/85/66/1130658566.db2.gz LCPHVBLJQMBOBN-LSDHHAIUSA-N 0 1 294.439 3.871 20 0 CHADMN CCN(Cc1[nH]c(C)nc1C)Cc1ccc(C)c(C)c1 ZINC001234655539 1130668620 /nfs/dbraw/zinc/66/86/20/1130668620.db2.gz SFFIZKKASQCJFF-UHFFFAOYSA-N 0 1 271.408 3.665 20 0 CHADMN O=C(/C=C/c1ccccc1F)Nc1cccc(Cl)c1O ZINC000759712508 1130671931 /nfs/dbraw/zinc/67/19/31/1130671931.db2.gz YNDOYKUGTXTCOA-CMDGGOBGSA-N 0 1 291.709 3.837 20 0 CHADMN Cc1ccc(C(=O)Nc2cccc(Cl)c2O)c(Cl)n1 ZINC000759712638 1130671977 /nfs/dbraw/zinc/67/19/77/1130671977.db2.gz DPNHRWTYTRWHEU-UHFFFAOYSA-N 0 1 297.141 3.655 20 0 CHADMN O=C(Nc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CCC[C@@H](F)C1 ZINC001133191207 1130672171 /nfs/dbraw/zinc/67/21/71/1130672171.db2.gz YLJXFGUUQDWOGM-PSASIEDQSA-N 0 1 295.745 3.683 20 0 CHADMN CCC(N)=NOCCCc1ccc(C(F)(F)F)cc1 ZINC000759759947 1130672988 /nfs/dbraw/zinc/67/29/88/1130672988.db2.gz VJUHWOJTSGDRRG-UHFFFAOYSA-N 0 1 274.286 3.546 20 0 CHADMN CCCCC(CCCC)Oc1nc(F)nc2nc[nH]c21 ZINC001234690808 1130673682 /nfs/dbraw/zinc/67/36/82/1130673682.db2.gz SHLFNQMGTVHMNM-UHFFFAOYSA-N 0 1 280.347 3.620 20 0 CHADMN CC/C(C)=C(/C)C(=O)Nc1cccc(Cl)c1O ZINC000780995051 1130698789 /nfs/dbraw/zinc/69/87/89/1130698789.db2.gz ZTQZLUSNZIYNGD-HJWRWDBZSA-N 0 1 253.729 3.731 20 0 CHADMN O=C(CCC1CCC1)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001133402569 1130706844 /nfs/dbraw/zinc/70/68/44/1130706844.db2.gz LZXMYGADFPAHFC-UHFFFAOYSA-N 0 1 277.755 3.735 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)/C=C(/C)C(C)(C)C)c1 ZINC000812706490 1130708269 /nfs/dbraw/zinc/70/82/69/1130708269.db2.gz RIHRQJYVBCDNHK-LUAWRHEFSA-N 0 1 289.375 3.916 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)/C=C(\C)C(C)(C)C)c1 ZINC000812706491 1130708508 /nfs/dbraw/zinc/70/85/08/1130708508.db2.gz RIHRQJYVBCDNHK-PKNBQFBNSA-N 0 1 289.375 3.916 20 0 CHADMN CCc1noc(C)c1[C@H](C)Nc1cc2c(cn1)CCCC2 ZINC000812741100 1130710226 /nfs/dbraw/zinc/71/02/26/1130710226.db2.gz QPTHKDVDXNABFB-NSHDSACASA-N 0 1 285.391 3.992 20 0 CHADMN CCc1nn(C)c(Cl)c1CN(CC)CC(C)(C)C ZINC000812795197 1130718197 /nfs/dbraw/zinc/71/81/97/1130718197.db2.gz XNLNHDAFIIVGGJ-UHFFFAOYSA-N 0 1 271.836 3.504 20 0 CHADMN c1cc(-c2csc(CN3CC[C@@]34CCOC4)c2)cs1 ZINC001235190523 1130720260 /nfs/dbraw/zinc/72/02/60/1130720260.db2.gz ZHQPEJLJQWHPKL-HNNXBMFYSA-N 0 1 291.441 3.841 20 0 CHADMN Cc1cc(F)c(CN2CC[C@@H](C)C[C@@H]2C)c(F)c1 ZINC001235196374 1130722504 /nfs/dbraw/zinc/72/25/04/1130722504.db2.gz BUIDENKKFBESEJ-PWSUYJOCSA-N 0 1 253.336 3.894 20 0 CHADMN CN(C/C=C/Cl)CCc1cccc(Br)c1 ZINC000812906193 1130724405 /nfs/dbraw/zinc/72/44/05/1130724405.db2.gz VJUZJPHSKSUQKV-XVNBXDOJSA-N 0 1 288.616 3.676 20 0 CHADMN COc1ncc(CN[C@H]2CC[C@@H](C)c3ccccc32)s1 ZINC000638774646 1130724504 /nfs/dbraw/zinc/72/45/04/1130724504.db2.gz DDDJZNFVHGENOU-ABAIWWIYSA-N 0 1 288.416 3.880 20 0 CHADMN COCCC1CCN(Cc2cc3cccc(F)c3[nH]2)CC1 ZINC001235245496 1130728236 /nfs/dbraw/zinc/72/82/36/1130728236.db2.gz HUFHTNPUWJUANW-UHFFFAOYSA-N 0 1 290.382 3.556 20 0 CHADMN Cc1cnc(F)c(CN(C)CCc2ccccc2Cl)c1 ZINC001235338326 1130734110 /nfs/dbraw/zinc/73/41/10/1130734110.db2.gz INNQGTBHLXDANC-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN CC1(C)CCC[C@H]1[C@@H]1CCN(Cc2cnc(Cl)cn2)C1 ZINC000830178188 1130734183 /nfs/dbraw/zinc/73/41/83/1130734183.db2.gz WBHYYJSQQMVXFM-OCCSQVGLSA-N 0 1 293.842 3.778 20 0 CHADMN CN(Cc1cc(F)c(F)c(F)c1F)CC1CC(F)(F)C1 ZINC001235356470 1130735316 /nfs/dbraw/zinc/73/53/16/1130735316.db2.gz ZODXVRWPPUMPSR-UHFFFAOYSA-N 0 1 297.242 3.720 20 0 CHADMN Cc1cc(OC(C)C)ncc1C[N@H+]1CCC12CCCC2 ZINC001235425672 1130741458 /nfs/dbraw/zinc/74/14/58/1130741458.db2.gz XMRHRLFXNRBUKQ-UHFFFAOYSA-N 0 1 274.408 3.696 20 0 CHADMN COc1cc(CN2CCC[C@@H](C)[C@@H]2C)cc(F)c1F ZINC001235445142 1130746214 /nfs/dbraw/zinc/74/62/14/1130746214.db2.gz HPZAGUTVIGYSJF-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN CC(C)[C@H](NCc1cccc(F)n1)c1ccc(F)c(F)c1 ZINC000781906761 1130746636 /nfs/dbraw/zinc/74/66/36/1130746636.db2.gz FWOOYSVCYLLRRQ-INIZCTEOSA-N 0 1 294.320 3.986 20 0 CHADMN CCCCC[C@@](C)(CC)C(=O)NCCCc1cn[nH]c1C ZINC000781922551 1130748862 /nfs/dbraw/zinc/74/88/62/1130748862.db2.gz HKXJRBDMNFLKNN-QGZVFWFLSA-N 0 1 293.455 3.764 20 0 CHADMN CCCN(Cc1cncc(F)c1Cl)[C@H](C)CC ZINC001235491946 1130749138 /nfs/dbraw/zinc/74/91/38/1130749138.db2.gz IJXFCZGPZAFPTP-SNVBAGLBSA-N 0 1 258.768 3.885 20 0 CHADMN Cc1ccnc(CN2CC[C@@H](C)C[C@H]2C)c1Cl ZINC001235587207 1130757390 /nfs/dbraw/zinc/75/73/90/1130757390.db2.gz ZVDYHYZJWMOCNT-ZYHUDNBSSA-N 0 1 252.789 3.664 20 0 CHADMN CN(C)c1cc(CN2CCCCC[C@H]2c2ccco2)ccn1 ZINC000782175763 1130757675 /nfs/dbraw/zinc/75/76/75/1130757675.db2.gz MFTBBZLPOXTMAL-INIZCTEOSA-N 0 1 299.418 3.858 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1cc(F)c(F)cc1Cl ZINC001245020928 1130765260 /nfs/dbraw/zinc/76/52/60/1130765260.db2.gz RBYAQDGCASNNNR-UHFFFAOYSA-N 0 1 283.640 3.696 20 0 CHADMN Cc1cccc(CCN(C)Cc2nc3cc(F)ccc3[nH]2)c1 ZINC001235696256 1130769862 /nfs/dbraw/zinc/76/98/62/1130769862.db2.gz IDERQYYQEGBJBR-UHFFFAOYSA-N 0 1 297.377 3.685 20 0 CHADMN CCN(Cc1cccs1)Cc1nc2ccc(F)cc2[nH]1 ZINC001235695845 1130770143 /nfs/dbraw/zinc/77/01/43/1130770143.db2.gz TVLNJOYLCCVQMD-UHFFFAOYSA-N 0 1 289.379 3.786 20 0 CHADMN Fc1ccc2[nH]c(CN3CC[C@H]4CCCC[C@H]4C3)nc2c1 ZINC001235691951 1130770568 /nfs/dbraw/zinc/77/05/68/1130770568.db2.gz AOOYZUBJTSSHOA-OLZOCXBDSA-N 0 1 287.382 3.714 20 0 CHADMN Oc1ccc(Cl)cc1-c1cnc2ccc(F)cc2n1 ZINC001245048970 1130772428 /nfs/dbraw/zinc/77/24/28/1130772428.db2.gz JBZZLQCPPAILFV-UHFFFAOYSA-N 0 1 274.682 3.795 20 0 CHADMN CC1CN(Cc2ccc(OCc3ccccc3)c(F)c2)C1 ZINC001235765735 1130777809 /nfs/dbraw/zinc/77/78/09/1130777809.db2.gz PBPJNHPARYADRJ-UHFFFAOYSA-N 0 1 285.362 3.856 20 0 CHADMN CCOc1cc(CN(C)Cc2ccsc2)ccc1F ZINC001235799465 1130779588 /nfs/dbraw/zinc/77/95/88/1130779588.db2.gz BUOJCUVFKQFXPA-UHFFFAOYSA-N 0 1 279.380 3.918 20 0 CHADMN CCOc1ccc2nc(SCc3cscn3)[nH]c2c1 ZINC000747874521 1130782525 /nfs/dbraw/zinc/78/25/25/1130782525.db2.gz JDMIUIJTKQMZTQ-UHFFFAOYSA-N 0 1 291.401 3.710 20 0 CHADMN C(c1noc2c1CCCC2)N1CCCC2(CCCC2)C1 ZINC000782636069 1130784915 /nfs/dbraw/zinc/78/49/15/1130784915.db2.gz BMXDIIFWXIRWOT-UHFFFAOYSA-N 0 1 274.408 3.710 20 0 CHADMN CC[C@H]1CCCCN1Cc1ccnc(OC)c1Cl ZINC001235837203 1130785968 /nfs/dbraw/zinc/78/59/68/1130785968.db2.gz HEJYUMCIDQBAQF-LBPRGKRZSA-N 0 1 268.788 3.508 20 0 CHADMN Cc1nc2cc(CN(C)Cc3ccc(C)nc3)ccc2s1 ZINC001235857162 1130789346 /nfs/dbraw/zinc/78/93/46/1130789346.db2.gz HJWKJUZLJLAOOT-UHFFFAOYSA-N 0 1 297.427 3.940 20 0 CHADMN CC1(C)[C@@H]2C[C@H](n3c4cc(Cl)ccc4nc3CN)C[C@@H]21 ZINC001170714964 1130795566 /nfs/dbraw/zinc/79/55/66/1130795566.db2.gz CEWYIEQHDJEHHK-ZSBIGDGJSA-N 0 1 289.810 3.756 20 0 CHADMN Cc1cc2[nH]ccc2c(-c2cc(O)cc(Cl)c2)n1 ZINC001235898235 1130798242 /nfs/dbraw/zinc/79/82/42/1130798242.db2.gz DWIAAJOQYMEFKL-UHFFFAOYSA-N 0 1 258.708 3.897 20 0 CHADMN C[C@@H](CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1)C(C)(C)C ZINC000783245978 1130806902 /nfs/dbraw/zinc/80/69/02/1130806902.db2.gz QOVNLXFSOUKVNB-SWLSCSKDSA-N 0 1 289.398 3.910 20 0 CHADMN CCOCOc1ccc(CN(C)[C@@H](C)c2ccco2)cc1 ZINC000783399335 1130822048 /nfs/dbraw/zinc/82/20/48/1130822048.db2.gz GBNYLIQEXFHBLQ-AWEZNQCLSA-N 0 1 289.375 3.845 20 0 CHADMN CC(C)c1ccc(-c2c(F)cc(F)c(O)c2F)nc1 ZINC001235984197 1130822641 /nfs/dbraw/zinc/82/26/41/1130822641.db2.gz JIBKDYZGSRRUCF-UHFFFAOYSA-N 0 1 267.250 3.995 20 0 CHADMN Oc1c(F)cc(F)c(-c2cccc(C(F)(F)F)n2)c1F ZINC001235985061 1130822782 /nfs/dbraw/zinc/82/27/82/1130822782.db2.gz INANEVQUNOHKGG-UHFFFAOYSA-N 0 1 293.166 3.890 20 0 CHADMN Cc1cc2ccncc2nc1-c1c(F)cc(F)c(O)c1F ZINC001235991704 1130824081 /nfs/dbraw/zinc/82/40/81/1130824081.db2.gz CJUKJULNRCXCAY-UHFFFAOYSA-N 0 1 290.244 3.728 20 0 CHADMN CC(=O)Nc1ccc(C)c(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235993141 1130825476 /nfs/dbraw/zinc/82/54/76/1130825476.db2.gz DMWHVSLEIHJNCQ-UHFFFAOYSA-N 0 1 295.260 3.743 20 0 CHADMN Cc1cc(F)cc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235994120 1130825924 /nfs/dbraw/zinc/82/59/24/1130825924.db2.gz KAFTXFHRIHAIGI-UHFFFAOYSA-N 0 1 256.198 3.924 20 0 CHADMN CCOC(=O)c1ccccc1-c1c(F)cc(F)c(O)c1F ZINC001235996940 1130826466 /nfs/dbraw/zinc/82/64/66/1130826466.db2.gz MPDRSJQLCNYZDQ-UHFFFAOYSA-N 0 1 296.244 3.653 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc3c(c2)CCC3)c1F ZINC001235997908 1130827011 /nfs/dbraw/zinc/82/70/11/1130827011.db2.gz IRLDLYJPKCZEAA-UHFFFAOYSA-N 0 1 264.246 3.965 20 0 CHADMN COCc1cccc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235998140 1130828108 /nfs/dbraw/zinc/82/81/08/1130828108.db2.gz UYRLQUZGUZZZAT-UHFFFAOYSA-N 0 1 268.234 3.623 20 0 CHADMN Cn1ccc2ccc(-c3c(F)cc(F)c(O)c3F)cc21 ZINC001235997635 1130828081 /nfs/dbraw/zinc/82/80/81/1130828081.db2.gz GIDATBHKYRXOJW-UHFFFAOYSA-N 0 1 277.245 3.968 20 0 CHADMN COc1c(F)ccc(-c2c(F)cc(F)c(O)c2F)c1F ZINC001236002955 1130829343 /nfs/dbraw/zinc/82/93/43/1130829343.db2.gz WJPAYLWWHIGQIN-UHFFFAOYSA-N 0 1 290.187 3.763 20 0 CHADMN Cc1cnc2[nH]ccc2c1-c1c(F)cc(F)c(O)c1F ZINC001236000683 1130829742 /nfs/dbraw/zinc/82/97/42/1130829742.db2.gz KPGXMHGWAVFOFH-UHFFFAOYSA-N 0 1 278.233 3.613 20 0 CHADMN CCOCOc1ccc(CN(C)Cc2occc2C)cc1 ZINC000814175407 1130835416 /nfs/dbraw/zinc/83/54/16/1130835416.db2.gz UTQMJJNETUGEGD-UHFFFAOYSA-N 0 1 289.375 3.593 20 0 CHADMN OCc1ccc(C(F)(F)F)cc1-c1nccc2[nH]ccc21 ZINC001236043707 1130836334 /nfs/dbraw/zinc/83/63/34/1130836334.db2.gz KDGWLTKFTWGLOC-UHFFFAOYSA-N 0 1 292.260 3.741 20 0 CHADMN Fc1cccc(CNCc2ccc(C(F)(F)F)cc2)n1 ZINC000747924878 1130848749 /nfs/dbraw/zinc/84/87/49/1130848749.db2.gz AGBAIUOVWAHETO-UHFFFAOYSA-N 0 1 284.256 3.529 20 0 CHADMN CC(C)COc1ccc(CNCc2cccc(F)n2)cc1 ZINC000747926344 1130848973 /nfs/dbraw/zinc/84/89/73/1130848973.db2.gz QDXKMBZPGMLHFO-UHFFFAOYSA-N 0 1 288.366 3.545 20 0 CHADMN COC(=O)c1nc2ccc(-c3cccc(C4CC4)c3)cc2[nH]1 ZINC001236083762 1130852505 /nfs/dbraw/zinc/85/25/05/1130852505.db2.gz CWNCABQRWDMBPU-UHFFFAOYSA-N 0 1 292.338 3.894 20 0 CHADMN CC(C)[C@@H]1N(C[C@@H](O)c2ccc(F)cc2Cl)CC1(C)C ZINC000814251836 1130857169 /nfs/dbraw/zinc/85/71/69/1130857169.db2.gz UGRBZDNELFWZHG-CABCVRRESA-N 0 1 299.817 3.879 20 0 CHADMN CN[C@H]1CCN1Cc1cccc(Oc2ccc(C)cc2)c1 ZINC001236165893 1130877994 /nfs/dbraw/zinc/87/79/94/1130877994.db2.gz BBYNBDMBUNUOPQ-GOSISDBHSA-N 0 1 282.387 3.539 20 0 CHADMN CN[C@H]1CCN1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001236167084 1130878765 /nfs/dbraw/zinc/87/87/65/1130878765.db2.gz LWKLUDGEFQUDOZ-QGZVFWFLSA-N 0 1 286.806 3.758 20 0 CHADMN CN[C@@H]1CCN1Cc1ccc(-c2ccccc2)cc1Cl ZINC001236167363 1130878843 /nfs/dbraw/zinc/87/88/43/1130878843.db2.gz NUUPWOPSSUZLFK-KRWDZBQOSA-N 0 1 286.806 3.758 20 0 CHADMN Cl/C=C\CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000814666584 1130897319 /nfs/dbraw/zinc/89/73/19/1130897319.db2.gz IEVRSKGTEFXYGC-DWMUBGRBSA-N 0 1 256.176 3.882 20 0 CHADMN Cc1cccc(CN2CCc3ccc(N)cc3C2)c1Cl ZINC001236232288 1130900025 /nfs/dbraw/zinc/90/00/25/1130900025.db2.gz BYDKOUOPNGIBNN-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN FC(F)(F)[C@H]1CC=C(c2[nH]ccc3ncnc2-3)CC1 ZINC001236243927 1130902756 /nfs/dbraw/zinc/90/27/56/1130902756.db2.gz DMVUUNDKAKHPNA-VIFPVBQESA-N 0 1 267.254 3.704 20 0 CHADMN FC(F)(F)[C@H]1CC=C(c2ccc3[nH]nnc3c2)CC1 ZINC001236254036 1130906918 /nfs/dbraw/zinc/90/69/18/1130906918.db2.gz MJAKNZPSRAIPOL-JTQLQIEISA-N 0 1 267.254 3.704 20 0 CHADMN FC(F)(F)[C@H]1CC=C(c2ccc3nn[nH]c3c2)CC1 ZINC001236254036 1130906923 /nfs/dbraw/zinc/90/69/23/1130906923.db2.gz MJAKNZPSRAIPOL-JTQLQIEISA-N 0 1 267.254 3.704 20 0 CHADMN Cc1c(-c2ccc3[nH]cnc3c2)cnn1-c1ccccc1 ZINC001236401119 1130928534 /nfs/dbraw/zinc/92/85/34/1130928534.db2.gz ZWDWVRRPHICQBR-UHFFFAOYSA-N 0 1 274.327 3.724 20 0 CHADMN CO[C@@H](CN[C@H](CCC(C)C)c1ccoc1)C(F)(F)F ZINC000796871268 1130941503 /nfs/dbraw/zinc/94/15/03/1130941503.db2.gz FJKKPFVMHKCEJZ-OLZOCXBDSA-N 0 1 293.329 3.924 20 0 CHADMN COc1nc(C(C)C)ccc1-c1cncc2cc[nH]c21 ZINC001236444739 1130943364 /nfs/dbraw/zinc/94/33/64/1130943364.db2.gz QOOZXJCFORPXBC-UHFFFAOYSA-N 0 1 267.332 3.757 20 0 CHADMN CC(C)C[C@H]1CCN(Cc2ccnc(Br)c2)C1 ZINC000815055830 1130952106 /nfs/dbraw/zinc/95/21/06/1130952106.db2.gz PBJJNRNVEZHDPR-CYBMUJFWSA-N 0 1 297.240 3.712 20 0 CHADMN C[C@@H]1CCC[C@H](C)N(Cc2ccnc(Br)c2)C1 ZINC000815053630 1130952316 /nfs/dbraw/zinc/95/23/16/1130952316.db2.gz UUUVQRJEWJBMGK-NEPJUHHUSA-N 0 1 297.240 3.855 20 0 CHADMN C[C@@H](c1ccccn1)N(C)C[C@@H](O)c1cc2ccccc2o1 ZINC000815077285 1130956531 /nfs/dbraw/zinc/95/65/31/1130956531.db2.gz GPKBIFUJSXORML-XJKSGUPXSA-N 0 1 296.370 3.554 20 0 CHADMN CCOc1ncc(Cl)cc1-c1cc2nc[nH]c2cc1C ZINC001236495816 1130957185 /nfs/dbraw/zinc/95/71/85/1130957185.db2.gz NACQVUACERLCCB-UHFFFAOYSA-N 0 1 287.750 3.985 20 0 CHADMN CCOc1ncc(Cl)cc1-c1ccc2[nH]cnc2c1 ZINC001236495158 1130957642 /nfs/dbraw/zinc/95/76/42/1130957642.db2.gz FQTXZTWQZVMOFK-UHFFFAOYSA-N 0 1 273.723 3.677 20 0 CHADMN Oc1cccc(CNC/C=C/c2ccccc2)c1Cl ZINC000815126002 1130959704 /nfs/dbraw/zinc/95/97/04/1130959704.db2.gz DXAPCCNRQHYFRV-VMPITWQZSA-N 0 1 273.763 3.849 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)N[C@@H](C)c1c(F)cncc1F ZINC000797129260 1130963627 /nfs/dbraw/zinc/96/36/27/1130963627.db2.gz VKLZQXLXLRSNGN-QWRGUYRKSA-N 0 1 294.320 3.781 20 0 CHADMN C[N@H+](Cc1ccc(Br)c([O-])c1)C[C@H]1CC1(C)C ZINC001236698163 1130995611 /nfs/dbraw/zinc/99/56/11/1130995611.db2.gz IOVTWLQIESFIRV-LLVKDONJSA-N 0 1 298.224 3.633 20 0 CHADMN CCOc1ccc(C)c(F)c1-c1cc2[nH]nnc2cc1F ZINC001236537094 1130968244 /nfs/dbraw/zinc/96/82/44/1130968244.db2.gz JCDDEPLQKSKNLE-UHFFFAOYSA-N 0 1 289.285 3.610 20 0 CHADMN Cc1nc2cccc(-c3ccncc3C(F)(F)F)c2[nH]1 ZINC001245443342 1130973568 /nfs/dbraw/zinc/97/35/68/1130973568.db2.gz KEPPKWASKLOHQD-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1ccnc(OC(C)C)c1 ZINC001236561128 1130975414 /nfs/dbraw/zinc/97/54/14/1130975414.db2.gz VTXJMLNWYXVIKF-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN FCc1ccc(CN2CCOC[C@H]2CC2CCC2)cc1 ZINC000815296359 1130977424 /nfs/dbraw/zinc/97/74/24/1130977424.db2.gz KZHORAYKSBNHEC-QGZVFWFLSA-N 0 1 277.383 3.547 20 0 CHADMN C[N@@H+](Cc1nccnc1Cl)C(C)(C)Cc1ccccc1 ZINC001236625003 1130985746 /nfs/dbraw/zinc/98/57/46/1130985746.db2.gz PAXWQFYMUMVXPK-UHFFFAOYSA-N 0 1 289.810 3.583 20 0 CHADMN CN(Cc1nccnc1Cl)C(C)(C)Cc1ccccc1 ZINC001236625003 1130985748 /nfs/dbraw/zinc/98/57/48/1130985748.db2.gz PAXWQFYMUMVXPK-UHFFFAOYSA-N 0 1 289.810 3.583 20 0 CHADMN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)n1 ZINC001236641288 1130986838 /nfs/dbraw/zinc/98/68/38/1130986838.db2.gz VTQAJKIKLYPRCO-BETUJISGSA-N 0 1 264.800 3.665 20 0 CHADMN Cc1cc(Cl)cc(CN2CC[C@@H](C)C[C@H]2C)n1 ZINC001236642392 1130988397 /nfs/dbraw/zinc/98/83/97/1130988397.db2.gz FOMKGBHQROXBHA-ZYHUDNBSSA-N 0 1 252.789 3.664 20 0 CHADMN CC1=C[C@@H](C)CN(C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000797526260 1130990863 /nfs/dbraw/zinc/99/08/63/1130990863.db2.gz KJXYCFUQMOQEJI-IAQYHMDHSA-N 0 1 299.336 3.637 20 0 CHADMN Fc1cc(CN2CC3CCC2CC3)ccc1Cl ZINC001137653215 1130991169 /nfs/dbraw/zinc/99/11/69/1130991169.db2.gz CXESAGALAPYDJH-UHFFFAOYSA-N 0 1 253.748 3.854 20 0 CHADMN CC1=C[C@@H](C)CN(CC(=O)Nc2ccc3ccccc3c2)C1 ZINC000797526457 1130991305 /nfs/dbraw/zinc/99/13/05/1130991305.db2.gz QOVRMRFNEMUWOA-CQSZACIVSA-N 0 1 294.398 3.676 20 0 CHADMN c1cc2c(cccc2CN2CCCCC23COC3)s1 ZINC001236679201 1130992724 /nfs/dbraw/zinc/99/27/24/1130992724.db2.gz LBVSYPUKCXOEKO-UHFFFAOYSA-N 0 1 273.401 3.656 20 0 CHADMN C[N@@H+](Cc1ccc(Br)c([O-])c1)C[C@H]1CC1(C)C ZINC001236698163 1130995608 /nfs/dbraw/zinc/99/56/08/1130995608.db2.gz IOVTWLQIESFIRV-LLVKDONJSA-N 0 1 298.224 3.633 20 0 CHADMN Oc1cc(CN2CCC[C@@H]2c2cccs2)ccc1F ZINC001236705354 1130996266 /nfs/dbraw/zinc/99/62/66/1130996266.db2.gz LOKBVAJQIBROEP-CYBMUJFWSA-N 0 1 277.364 3.930 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)N[C@@H](CO)c1ccc(F)cc1 ZINC000815593659 1131005617 /nfs/dbraw/zinc/00/56/17/1131005617.db2.gz SWILSXFHZPXSCB-SJCJKPOMSA-N 0 1 291.341 3.657 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(F)cc2C)cc1O ZINC000815573212 1131007941 /nfs/dbraw/zinc/00/79/41/1131007941.db2.gz BQPLPTMWVFYWNN-GFCCVEGCSA-N 0 1 289.350 3.699 20 0 CHADMN C[C@@H](NCc1cccnc1F)c1cccc(C2CC2)c1 ZINC000815621914 1131010844 /nfs/dbraw/zinc/01/08/44/1131010844.db2.gz HFUZXYSXAABOFZ-GFCCVEGCSA-N 0 1 270.351 3.949 20 0 CHADMN CCc1noc(C)c1CN[C@H]1CCc2cc(C)ccc21 ZINC000815641471 1131014174 /nfs/dbraw/zinc/01/41/74/1131014174.db2.gz YRLKQTBXDRVMSM-KRWDZBQOSA-N 0 1 270.376 3.631 20 0 CHADMN CCOc1cncc(CN(CC)Cc2cccc(F)c2)c1 ZINC001236845348 1131020843 /nfs/dbraw/zinc/02/08/43/1131020843.db2.gz IYSFBRDNXADPFK-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN CCCN(C)Cc1cc2sccc2nc1Cl ZINC001236858499 1131023722 /nfs/dbraw/zinc/02/37/22/1131023722.db2.gz BQGDELYVVRMPTR-UHFFFAOYSA-N 0 1 254.786 3.792 20 0 CHADMN FC[C@H]1[C@@H]2CN(Cc3cc4sccc4nc3Cl)C[C@H]12 ZINC001236863115 1131024630 /nfs/dbraw/zinc/02/46/30/1131024630.db2.gz CQZBYFQDRAEBOU-RTCCRHLQSA-N 0 1 296.798 3.597 20 0 CHADMN CCN(CCOC)Cc1ccc(-c2cccc(C)c2C)nc1 ZINC001236982900 1131032441 /nfs/dbraw/zinc/03/24/41/1131032441.db2.gz XANLKSZZQXJWSR-UHFFFAOYSA-N 0 1 298.430 3.834 20 0 CHADMN Cc1cccc(F)c1CNc1ccnc(C)c1Cl ZINC000798392488 1131035673 /nfs/dbraw/zinc/03/56/73/1131035673.db2.gz AITKEIQWEJRIIL-UHFFFAOYSA-N 0 1 264.731 3.525 20 0 CHADMN CC(=O)[C@@H]1CCCN(Cc2ccccc2OC(C)(C)C)C1 ZINC001237031276 1131037950 /nfs/dbraw/zinc/03/79/50/1131037950.db2.gz KMZBDJNIMXDHRO-OAHLLOKOSA-N 0 1 289.419 3.665 20 0 CHADMN CCN(Cc1cccnc1)Cc1cc(O)cc2ccccc21 ZINC001237070825 1131045088 /nfs/dbraw/zinc/04/50/88/1131045088.db2.gz GYAPWRNKFSUWKA-UHFFFAOYSA-N 0 1 292.382 3.963 20 0 CHADMN c1cc2c(cn1)CCN(Cc1ccc(C3CCC3)cc1)C2 ZINC001237104481 1131050295 /nfs/dbraw/zinc/05/02/95/1131050295.db2.gz HFPDTENUEICYIE-UHFFFAOYSA-N 0 1 278.399 3.907 20 0 CHADMN CC(C)[C@H](C(=O)O[C@H](C)c1ccc(Cl)cc1)N(C)C ZINC000798818592 1131051427 /nfs/dbraw/zinc/05/14/27/1131051427.db2.gz YYPXGHREFHTIAW-BXUZGUMPSA-N 0 1 283.799 3.530 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C3CCC3)cc2)CCCC1=O ZINC001237104577 1131051744 /nfs/dbraw/zinc/05/17/44/1131051744.db2.gz KKLPOJOQDBOUSU-CQSZACIVSA-N 0 1 271.404 3.755 20 0 CHADMN CC(C)[C@H](C(=O)O[C@@H](C)c1cccc(Cl)c1)N(C)C ZINC000798820178 1131051998 /nfs/dbraw/zinc/05/19/98/1131051998.db2.gz VNWBHWCVAPIQRB-SMDDNHRTSA-N 0 1 283.799 3.530 20 0 CHADMN c1cc2c(cn1)CN(Cc1ccc(C3CCC3)cc1)CC2 ZINC001237110971 1131052464 /nfs/dbraw/zinc/05/24/64/1131052464.db2.gz OYIXFMCCFIJAJY-UHFFFAOYSA-N 0 1 278.399 3.907 20 0 CHADMN c1cnc2c(c1)CN(Cc1ccc(C3CCC3)cc1)CC2 ZINC001237110986 1131052682 /nfs/dbraw/zinc/05/26/82/1131052682.db2.gz PQXQJYCMUCUOEC-UHFFFAOYSA-N 0 1 278.399 3.907 20 0 CHADMN Cc1cc(CCC(=O)Nc2ccc(C(C)(C)C)cc2)n[nH]1 ZINC001135392965 1131057147 /nfs/dbraw/zinc/05/71/47/1131057147.db2.gz SFWAPOWIASIRMY-UHFFFAOYSA-N 0 1 285.391 3.587 20 0 CHADMN CCN(Cc1ccncc1)Cc1ccc(F)c(F)c1C ZINC001237153641 1131060916 /nfs/dbraw/zinc/06/09/16/1131060916.db2.gz LDPBVAHNSPRDSL-UHFFFAOYSA-N 0 1 276.330 3.690 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCc3cccnc32)cc1F ZINC000798926921 1131061923 /nfs/dbraw/zinc/06/19/23/1131061923.db2.gz NVOIWKYANNDYAM-MRXNPFEDSA-N 0 1 270.351 3.696 20 0 CHADMN COc1cccc([C@@H]2CC[N@H+](Cc3occc3[S-])C2)c1 ZINC001237186597 1131066885 /nfs/dbraw/zinc/06/68/85/1131066885.db2.gz MKPXJUXWOFTZQF-CYBMUJFWSA-N 0 1 289.400 3.566 20 0 CHADMN COc1cccc([C@@H]2CC[N@@H+](Cc3occc3[S-])C2)c1 ZINC001237186597 1131066890 /nfs/dbraw/zinc/06/68/90/1131066890.db2.gz MKPXJUXWOFTZQF-CYBMUJFWSA-N 0 1 289.400 3.566 20 0 CHADMN C[C@@H]1CCN(Cc2cnc(Cl)cn2)[C@@H]2CCCC[C@H]12 ZINC000799111936 1131070171 /nfs/dbraw/zinc/07/01/71/1131070171.db2.gz NIVPYSQFJOOHPY-MRVWCRGKSA-N 0 1 279.815 3.531 20 0 CHADMN Clc1cccc(Cl)c1CN1CCNC2=CCCC[C@H]21 ZINC001237221925 1131071810 /nfs/dbraw/zinc/07/18/10/1131071810.db2.gz YYVHMVPHOPSYMD-OAHLLOKOSA-N 0 1 297.229 3.835 20 0 CHADMN Clc1cnc(CN[C@@H](CC2CC2)c2ccccc2)cn1 ZINC000799155117 1131072350 /nfs/dbraw/zinc/07/23/50/1131072350.db2.gz QRYLLTJDTOUPHS-HNNXBMFYSA-N 0 1 287.794 3.761 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1Cc1cnc(Cl)cn1 ZINC000799139612 1131072440 /nfs/dbraw/zinc/07/24/40/1131072440.db2.gz RLKIVVYEBNMMHF-YPMHNXCESA-N 0 1 267.804 3.531 20 0 CHADMN Oc1cc(F)cc(CN2CCC3(CC(F)(F)C3)CC2)c1 ZINC001237278016 1131076866 /nfs/dbraw/zinc/07/68/66/1131076866.db2.gz VFXTZYCATPGZAO-UHFFFAOYSA-N 0 1 285.309 3.543 20 0 CHADMN CCc1cccc(C)c1C[N@H+]1CCc2occc2C1 ZINC001237331425 1131086566 /nfs/dbraw/zinc/08/65/66/1131086566.db2.gz YRDHDAFBRSZFKV-UHFFFAOYSA-N 0 1 255.361 3.709 20 0 CHADMN CCc1cccc(C)c1CN1CCc2occc2C1 ZINC001237331425 1131086570 /nfs/dbraw/zinc/08/65/70/1131086570.db2.gz YRDHDAFBRSZFKV-UHFFFAOYSA-N 0 1 255.361 3.709 20 0 CHADMN c1nc(-c2ccccc2)oc1CN1CCc2ccccc2C1 ZINC001237376400 1131092380 /nfs/dbraw/zinc/09/23/80/1131092380.db2.gz XGMSNCUGMWTSKS-UHFFFAOYSA-N 0 1 290.366 3.900 20 0 CHADMN Fc1cc(CN2CCCCC23CC3)ccc1Cl ZINC001137654459 1131095350 /nfs/dbraw/zinc/09/53/50/1131095350.db2.gz RVVGSWMTMNINDL-UHFFFAOYSA-N 0 1 253.748 3.998 20 0 CHADMN COc1cc(-c2cc(O)c(F)c(F)c2F)cc(C)c1F ZINC001245638665 1131096684 /nfs/dbraw/zinc/09/66/84/1131096684.db2.gz BOLGWZRSRRKAQL-UHFFFAOYSA-N 0 1 286.224 3.933 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2cnn(C)c2Cl)c1 ZINC000816486710 1131098347 /nfs/dbraw/zinc/09/83/47/1131098347.db2.gz OZBHZAGMWXOMQI-OAHLLOKOSA-N 0 1 289.810 3.719 20 0 CHADMN C[C@@H](NC(=O)c1ccc(Cl)c(O)c1)c1ccccc1 ZINC001135609239 1131102495 /nfs/dbraw/zinc/10/24/95/1131102495.db2.gz HXNJZQFVNLXNNZ-SNVBAGLBSA-N 0 1 275.735 3.537 20 0 CHADMN BrC1=CCCN(C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000799737140 1131106812 /nfs/dbraw/zinc/10/68/12/1131106812.db2.gz WBPYVGCALYUNJW-HIFRSBDPSA-N 0 1 292.220 3.775 20 0 CHADMN COc1c(C)cccc1CN1CC[C@H]1c1ccccc1 ZINC001237514493 1131108198 /nfs/dbraw/zinc/10/81/98/1131108198.db2.gz UAKSCSJNUNJNJW-KRWDZBQOSA-N 0 1 267.372 3.951 20 0 CHADMN CC1=CC[C@H](Nc2ccc(CN(C)C)c(F)c2)CC1 ZINC000816527759 1131108418 /nfs/dbraw/zinc/10/84/18/1131108418.db2.gz XHHPSKZPNGGJDC-AWEZNQCLSA-N 0 1 262.372 3.798 20 0 CHADMN COc1c(C)cccc1CN1CCc2ccsc2C1 ZINC001237511155 1131108375 /nfs/dbraw/zinc/10/83/75/1131108375.db2.gz PKQUJWFAWRFCEC-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN CC(C)[C@@H]1CN(Cc2cccc3c(F)cccc23)CCO1 ZINC001237517340 1131109106 /nfs/dbraw/zinc/10/91/06/1131109106.db2.gz GOGAEZJXSBIMTB-SFHVURJKSA-N 0 1 287.378 3.836 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2)C2(CO)CCC2)c(C)o1 ZINC000816631267 1131115014 /nfs/dbraw/zinc/11/50/14/1131115014.db2.gz LSBOZTXOFJJIFF-SFHVURJKSA-N 0 1 299.414 3.890 20 0 CHADMN Fc1cc(F)c(F)c(CN[C@@H]2CC[C@@H]2C2CC2)c1F ZINC000806148088 1131115099 /nfs/dbraw/zinc/11/50/99/1131115099.db2.gz QHOUNXJNKLVDMB-PRHODGIISA-N 0 1 273.273 3.521 20 0 CHADMN CC(=O)Nc1ccc(F)cc1-c1cc(Cl)c(O)cc1F ZINC001245669582 1131118162 /nfs/dbraw/zinc/11/81/62/1131118162.db2.gz KHXPUAOXUMSCPH-UHFFFAOYSA-N 0 1 297.688 3.949 20 0 CHADMN C[C@@H]1CN(Cc2ccc(-c3ccncc3)cc2F)[C@@H]1C ZINC000816648168 1131119016 /nfs/dbraw/zinc/11/90/16/1131119016.db2.gz GEPQGUICQVRKLR-CHWSQXEVSA-N 0 1 270.351 3.728 20 0 CHADMN CCCCOc1ccc(CN2C[C@@H](C)[C@@H]2C)cc1OC ZINC000816648041 1131119330 /nfs/dbraw/zinc/11/93/30/1131119330.db2.gz CQWCNRTUCAXQOQ-KGLIPLIRSA-N 0 1 277.408 3.714 20 0 CHADMN Cc1ccnc2cccc(CN3CC[C@@](C)(F)[C@H](F)C3)c12 ZINC001237627924 1131120813 /nfs/dbraw/zinc/12/08/13/1131120813.db2.gz WVGJEHJFMHBCCD-NVXWUHKLSA-N 0 1 290.357 3.815 20 0 CHADMN CCCC[C@@H](C(=O)OC)N1CCC(C)(CC(C)C)CC1 ZINC001170837137 1131122318 /nfs/dbraw/zinc/12/23/18/1131122318.db2.gz VVTJGKVZGLDZTM-HNNXBMFYSA-N 0 1 283.456 3.866 20 0 CHADMN Cc1coc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC001237649518 1131123175 /nfs/dbraw/zinc/12/31/75/1131123175.db2.gz NREIVILUEQUBFB-CYBMUJFWSA-N 0 1 276.767 3.626 20 0 CHADMN Cc1nc(-c2c(Cl)cccc2Cl)nc2nc[nH]c21 ZINC001245673782 1131123596 /nfs/dbraw/zinc/12/35/96/1131123596.db2.gz PZQONNIJWJJENH-UHFFFAOYSA-N 0 1 279.130 3.587 20 0 CHADMN Oc1ccc(-c2ccc(CN3CC[C@@H](F)C3)cc2)cc1 ZINC001237657981 1131125050 /nfs/dbraw/zinc/12/50/50/1131125050.db2.gz OCLWWDTULITKAY-MRXNPFEDSA-N 0 1 271.335 3.603 20 0 CHADMN Cc1nc2ccc(-c3ccccc3)cn2c1CN1CC=CC1 ZINC001237655712 1131125479 /nfs/dbraw/zinc/12/54/79/1131125479.db2.gz QYPZDCSYPDQGDW-UHFFFAOYSA-N 0 1 289.382 3.682 20 0 CHADMN Cc1cc(C)c(Cl)c(CN2[C@@H]3CC[C@H]2CC(=O)C3)c1 ZINC001237695950 1131128117 /nfs/dbraw/zinc/12/81/17/1131128117.db2.gz AECJVPQFQIUUDI-OKILXGFUSA-N 0 1 277.795 3.653 20 0 CHADMN COc1ccc(C)c(C[N@H+]2Cc3ccccc3C[C@H]2C)c1 ZINC001237708974 1131130613 /nfs/dbraw/zinc/13/06/13/1131130613.db2.gz DLQFGUNGFQYNIR-OAHLLOKOSA-N 0 1 281.399 3.950 20 0 CHADMN COc1ccc(C)c(C[N@H+]2CCc3ccc(F)cc3C2)c1 ZINC001237709852 1131130837 /nfs/dbraw/zinc/13/08/37/1131130837.db2.gz KBRWGIYCSTURCJ-UHFFFAOYSA-N 0 1 285.362 3.701 20 0 CHADMN COc1ccc(C)c(CN2CCc3ccc(F)cc3C2)c1 ZINC001237709852 1131130838 /nfs/dbraw/zinc/13/08/38/1131130838.db2.gz KBRWGIYCSTURCJ-UHFFFAOYSA-N 0 1 285.362 3.701 20 0 CHADMN CC(C)C[C@H]1CCCCN1C(=O)c1cnc(C(C)C)[nH]1 ZINC001116255794 1131136317 /nfs/dbraw/zinc/13/63/17/1131136317.db2.gz LHBOTJVSFVTGBY-CYBMUJFWSA-N 0 1 277.412 3.574 20 0 CHADMN Cc1ccc2nc(NC(=O)C=C3CCCCC3)[nH]c2c1 ZINC000817018057 1131136608 /nfs/dbraw/zinc/13/66/08/1131136608.db2.gz MPVGIWSGUVUVQL-UHFFFAOYSA-N 0 1 269.348 3.700 20 0 CHADMN CCc1ccc(CNCc2ccc3c(c2)CCC3)o1 ZINC001116273495 1131138645 /nfs/dbraw/zinc/13/86/45/1131138645.db2.gz HVARCXVHNPKRDE-UHFFFAOYSA-N 0 1 255.361 3.621 20 0 CHADMN C[C@@H]1CCN1Cc1cc(-c2cccc(Cl)c2)no1 ZINC001237767986 1131138949 /nfs/dbraw/zinc/13/89/49/1131138949.db2.gz SWBKNEKIBQTQMO-SNVBAGLBSA-N 0 1 262.740 3.589 20 0 CHADMN COc1ccc(CN2[C@H](C)CCC[C@H]2C)c(Cl)n1 ZINC001237793407 1131140757 /nfs/dbraw/zinc/14/07/57/1131140757.db2.gz AXVKDOHGZIWPHD-GHMZBOCLSA-N 0 1 268.788 3.507 20 0 CHADMN Cc1cnc(CN2CCC[C@@H](CCc3ccccc3)C2)nc1 ZINC001237811920 1131142183 /nfs/dbraw/zinc/14/21/83/1131142183.db2.gz YJPVWRMRBLZAMW-SFHVURJKSA-N 0 1 295.430 3.630 20 0 CHADMN Cc1nc(CN2CCC[C@H]2c2cccs2)ccc1F ZINC001237815964 1131143390 /nfs/dbraw/zinc/14/33/90/1131143390.db2.gz DWTCXTLSXYSDMZ-AWEZNQCLSA-N 0 1 276.380 3.928 20 0 CHADMN Cc1nc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)ccc1F ZINC001237823044 1131144043 /nfs/dbraw/zinc/14/40/43/1131144043.db2.gz YPCFHQNTGUPMLW-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1nc(CN2CC[C@H](c3cccc(F)c3)C2)ccc1F ZINC001237823044 1131144046 /nfs/dbraw/zinc/14/40/46/1131144046.db2.gz YPCFHQNTGUPMLW-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1nc(C[N@H+](C)[C@H]2CCc3ccccc32)ccc1F ZINC001237819433 1131144173 /nfs/dbraw/zinc/14/41/73/1131144173.db2.gz ADCYGMXGKXRADG-KRWDZBQOSA-N 0 1 270.351 3.648 20 0 CHADMN Cc1nc(CN(C)[C@H]2CCc3ccccc32)ccc1F ZINC001237819433 1131144176 /nfs/dbraw/zinc/14/41/76/1131144176.db2.gz ADCYGMXGKXRADG-KRWDZBQOSA-N 0 1 270.351 3.648 20 0 CHADMN CCCN(CC)Cc1cccc(OC)c1Br ZINC001237859280 1131145639 /nfs/dbraw/zinc/14/56/39/1131145639.db2.gz XRSFWGUGPZCPAJ-UHFFFAOYSA-N 0 1 286.213 3.690 20 0 CHADMN Cc1cc(C[N@H+]2CCCCC[C@@H]2c2ccccc2)n[nH]1 ZINC001116444249 1131146435 /nfs/dbraw/zinc/14/64/35/1131146435.db2.gz OTDBMRSTOLSPDP-QGZVFWFLSA-N 0 1 269.392 3.835 20 0 CHADMN Cc1cc(CNc2cccc(OCC(F)(F)F)c2C)n[nH]1 ZINC001116450300 1131146488 /nfs/dbraw/zinc/14/64/88/1131146488.db2.gz ZDNIVCMMSTUGCD-UHFFFAOYSA-N 0 1 299.296 3.580 20 0 CHADMN CC(C)c1cnc(CN2CC[C@@H](C3CCCC3)C2)o1 ZINC000817282581 1131151399 /nfs/dbraw/zinc/15/13/99/1131151399.db2.gz HDGAYSUAPDBLGJ-CQSZACIVSA-N 0 1 262.397 3.810 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc2cncn2c1C ZINC001116527246 1131151994 /nfs/dbraw/zinc/15/19/94/1131151994.db2.gz BBWICCCARSOVBN-SUMWQHHRSA-N 0 1 299.418 3.684 20 0 CHADMN CCN(C(=O)c1ccc2cncn2c1C)[C@H]1CCCC[C@@H]1C ZINC001116538398 1131152897 /nfs/dbraw/zinc/15/28/97/1131152897.db2.gz LYOHIRNIJPCGKL-GUYCJALGSA-N 0 1 299.418 3.684 20 0 CHADMN CCOc1ccc(CN2CC3(C2)CCCCC3)cc1F ZINC001237960326 1131154969 /nfs/dbraw/zinc/15/49/69/1131154969.db2.gz LIUWERBZDWDXLJ-UHFFFAOYSA-N 0 1 277.383 3.991 20 0 CHADMN Fc1cccc(-c2nc(C[N@H+]3C[C@H]4CC[C@@H]3C4)cs2)c1 ZINC001237974164 1131156318 /nfs/dbraw/zinc/15/63/18/1131156318.db2.gz DVZSVCMRRTUXIQ-XHDPSFHLSA-N 0 1 288.391 3.934 20 0 CHADMN Fc1cccc(-c2nc(CN3C[C@H]4CC[C@@H]3C4)cs2)c1 ZINC001237974164 1131156321 /nfs/dbraw/zinc/15/63/21/1131156321.db2.gz DVZSVCMRRTUXIQ-XHDPSFHLSA-N 0 1 288.391 3.934 20 0 CHADMN Cc1sccc1CN(CCOC(C)C)CCOC(C)C ZINC001237970084 1131156595 /nfs/dbraw/zinc/15/65/95/1131156595.db2.gz GDUMARFJQNKUNH-UHFFFAOYSA-N 0 1 299.480 3.709 20 0 CHADMN Cc1sccc1C[N@@H+]1CCC(=O)[C@H](C)C12CCCC2 ZINC001237974397 1131156698 /nfs/dbraw/zinc/15/66/98/1131156698.db2.gz HSVCFVRHKOCEJL-LBPRGKRZSA-N 0 1 277.433 3.780 20 0 CHADMN Cc1sccc1CN1CCC(=O)[C@H](C)C12CCCC2 ZINC001237974397 1131156702 /nfs/dbraw/zinc/15/67/02/1131156702.db2.gz HSVCFVRHKOCEJL-LBPRGKRZSA-N 0 1 277.433 3.780 20 0 CHADMN CC[C@@H](C)N(C(=O)c1ccc2cncn2c1C)[C@H](C)CC ZINC001116609104 1131156733 /nfs/dbraw/zinc/15/67/33/1131156733.db2.gz FPHGDSOBOFMTGQ-CHWSQXEVSA-N 0 1 287.407 3.682 20 0 CHADMN CC(C)n1ncc2c1[C@H](N[C@H](C)c1cncs1)CCC2 ZINC001116604760 1131156988 /nfs/dbraw/zinc/15/69/88/1131156988.db2.gz UYORZZOHIXUQGZ-DGCLKSJQSA-N 0 1 290.436 3.649 20 0 CHADMN Oc1ccc(-c2nc(CN3CCCC34CC4)cs2)cc1 ZINC001237977624 1131156996 /nfs/dbraw/zinc/15/69/96/1131156996.db2.gz MISHQZQATSTGAB-UHFFFAOYSA-N 0 1 286.400 3.644 20 0 CHADMN Cc1cc(Cl)ccc1OC(=O)[C@@H]1CC[C@@H]2CCCCN21 ZINC001135911382 1131158491 /nfs/dbraw/zinc/15/84/91/1131158491.db2.gz GAJKOFMOVZJTKS-KBPBESRZSA-N 0 1 293.794 3.571 20 0 CHADMN Oc1ccc(-c2nc(CN3CCC4(CC4)C3)cs2)cc1 ZINC001237985090 1131158613 /nfs/dbraw/zinc/15/86/13/1131158613.db2.gz JOAARKBFNYVVBM-UHFFFAOYSA-N 0 1 286.400 3.502 20 0 CHADMN Cc1ncccc1C[N@@H+](C)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237993634 1131159644 /nfs/dbraw/zinc/15/96/44/1131159644.db2.gz UJCMMBQNAXFHBV-UHFFFAOYSA-N 0 1 294.757 3.520 20 0 CHADMN Cc1nc(F)ccc1CN1CCC[C@H](CC(F)(F)F)C1 ZINC000817412424 1131159972 /nfs/dbraw/zinc/15/99/72/1131159972.db2.gz KYBNUTWGFKZCCJ-LLVKDONJSA-N 0 1 290.304 3.694 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1scnc1Br ZINC001238041373 1131164111 /nfs/dbraw/zinc/16/41/11/1131164111.db2.gz SBNCCNHZXLXQNO-SECBINFHSA-N 0 1 289.242 3.526 20 0 CHADMN COc1ccc(C(F)(F)F)c(CN2CCC3(CC3)C2)c1 ZINC001238047076 1131165243 /nfs/dbraw/zinc/16/52/43/1131165243.db2.gz ADAYTUGHBGZUHA-UHFFFAOYSA-N 0 1 285.309 3.700 20 0 CHADMN Cc1nc(F)ccc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001116841401 1131166582 /nfs/dbraw/zinc/16/65/82/1131166582.db2.gz IJPNCESURNRRKB-UKRRQHHQSA-N 0 1 262.372 3.541 20 0 CHADMN Cc1c(C(=O)N(C)[C@H](C)C2CCCCC2)ccc2cncn21 ZINC001116926914 1131170377 /nfs/dbraw/zinc/17/03/77/1131170377.db2.gz RJLFISARIWBKPI-CYBMUJFWSA-N 0 1 299.418 3.684 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC001238134657 1131174048 /nfs/dbraw/zinc/17/40/48/1131174048.db2.gz JWGCJERTZWMCNH-CQSZACIVSA-N 0 1 295.382 3.813 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cc(Cl)c([O-])cc2F)C2(CC2)C1 ZINC001238154765 1131175875 /nfs/dbraw/zinc/17/58/75/1131175875.db2.gz LOHNVOOYMCTJDD-VIFPVBQESA-N 0 1 269.747 3.559 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cc(Cl)c([O-])cc2F)[C@H]1C ZINC001238153144 1131176353 /nfs/dbraw/zinc/17/63/53/1131176353.db2.gz XNJJMIGRZYSQGL-UWVGGRQHSA-N 0 1 271.763 3.805 20 0 CHADMN CN(CCC(=O)c1ccccc1)Cc1cncc(C2CC2)c1 ZINC001238189591 1131177333 /nfs/dbraw/zinc/17/73/33/1131177333.db2.gz OHMQIKVBFCNWFF-UHFFFAOYSA-N 0 1 294.398 3.664 20 0 CHADMN Cc1cc(Cl)c(Cl)cc1CN1CCC[C@@](C)(O)C1 ZINC001238258670 1131187063 /nfs/dbraw/zinc/18/70/63/1131187063.db2.gz IXYWKQYVXOVKDD-CQSZACIVSA-N 0 1 288.218 3.649 20 0 CHADMN CCCO[C@@H]1CCN(Cc2cccc(F)c2OC(C)C)C1 ZINC001238318375 1131189299 /nfs/dbraw/zinc/18/92/99/1131189299.db2.gz DTVIBMPWUSIUAT-OAHLLOKOSA-N 0 1 295.398 3.614 20 0 CHADMN Cc1cc(CN2CC[C@]3(C2)CCCOC3)c(F)cc1Cl ZINC001238303743 1131189840 /nfs/dbraw/zinc/18/98/40/1131189840.db2.gz XDHHRCRNSNSEOV-INIZCTEOSA-N 0 1 297.801 3.790 20 0 CHADMN C[C@H]1C[N@H+]([C@H]2CCc3c2cccc3F)CCC1(F)F ZINC001117625909 1131190220 /nfs/dbraw/zinc/19/02/20/1131190220.db2.gz GKDHKEFIEDRMLO-HZMBPMFUSA-N 0 1 269.310 3.790 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CC2CCC1CC2 ZINC001238326868 1131191769 /nfs/dbraw/zinc/19/17/69/1131191769.db2.gz HLELNMFRBRMKHU-UHFFFAOYSA-N 0 1 277.383 3.987 20 0 CHADMN COC1(C)CCN(Cc2cccc(F)c2OC(C)C)CC1 ZINC001238328151 1131191870 /nfs/dbraw/zinc/19/18/70/1131191870.db2.gz DYGMPHASLKQZNJ-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN COc1ccc(CN2CC[C@H]3CCCC[C@H]3C2)c(F)c1O ZINC001238374957 1131194233 /nfs/dbraw/zinc/19/42/33/1131194233.db2.gz VSILBVHZMGCAIY-OLZOCXBDSA-N 0 1 293.382 3.552 20 0 CHADMN c1cc(CNCc2ccccc2OCC2CC2)n(C2CC2)c1 ZINC001117744063 1131195148 /nfs/dbraw/zinc/19/51/48/1131195148.db2.gz TVLKDBWOFVGTQF-UHFFFAOYSA-N 0 1 296.414 3.902 20 0 CHADMN CCOc1ccc(CN2CC[C@@](C)(CF)C2)c(Cl)c1 ZINC001238394439 1131195323 /nfs/dbraw/zinc/19/53/23/1131195323.db2.gz JSMRPEPNWYLJKB-HNNXBMFYSA-N 0 1 285.790 3.920 20 0 CHADMN Cc1cc(CN2CC[C@@H]3CCC[C@@H]3C2)ncc1Cl ZINC001238419499 1131196904 /nfs/dbraw/zinc/19/69/04/1131196904.db2.gz OJCUXHCCUUXVRX-QWHCGFSZSA-N 0 1 264.800 3.665 20 0 CHADMN CCN(Cc1cccc(OC(C)C)c1F)C1CC1 ZINC001238422119 1131197416 /nfs/dbraw/zinc/19/74/16/1131197416.db2.gz LDYDWIPZHZWFDK-UHFFFAOYSA-N 0 1 251.345 3.597 20 0 CHADMN Cc1cc(CN2C[C@@H](C)C[C@H](C)C2)ncc1Cl ZINC001238424032 1131197454 /nfs/dbraw/zinc/19/74/54/1131197454.db2.gz VBAOSTRXUHFFED-QWRGUYRKSA-N 0 1 252.789 3.521 20 0 CHADMN Cc1ccccc1CN(C)Cc1cc(C)c(Cl)cn1 ZINC001238418561 1131197492 /nfs/dbraw/zinc/19/74/92/1131197492.db2.gz BTWAWORZEQGNJZ-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1cc(CN2CCC[C@H](C)[C@H]2C)ncc1Cl ZINC001238419645 1131197725 /nfs/dbraw/zinc/19/77/25/1131197725.db2.gz ZRZYVBVDBURUPS-CMPLNLGQSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1cc(CN2[C@H](C)CCC[C@@H]2C)ncc1Cl ZINC001238426855 1131198748 /nfs/dbraw/zinc/19/87/48/1131198748.db2.gz MALQRQDHYRIPRD-TXEJJXNPSA-N 0 1 252.789 3.806 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1ncc(C)cc1C ZINC001238441888 1131200326 /nfs/dbraw/zinc/20/03/26/1131200326.db2.gz QKDWHEJLRGQHLP-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN Cc1cnc(CN2CCC[C@H]2c2ccc(C)nc2)c(C)c1 ZINC001238441137 1131200416 /nfs/dbraw/zinc/20/04/16/1131200416.db2.gz OEXQHCZCDFFODE-SFHVURJKSA-N 0 1 281.403 3.739 20 0 CHADMN CC(C)Oc1cc(CN2CC[C@@H](OC(C)C)C2)ccc1F ZINC001238457710 1131204172 /nfs/dbraw/zinc/20/41/72/1131204172.db2.gz GUMWWIIBEHWMLL-OAHLLOKOSA-N 0 1 295.398 3.612 20 0 CHADMN CN(CCc1ccccc1)Cc1ccnc(Cl)c1F ZINC001139661623 1131205606 /nfs/dbraw/zinc/20/56/06/1131205606.db2.gz OKXXLASKZZDFAQ-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN CC(C)(O)c1ccc(CN[C@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC000818231559 1131205653 /nfs/dbraw/zinc/20/56/53/1131205653.db2.gz YBTGWPSMAMKCCT-PKOBYXMFSA-N 0 1 299.389 3.641 20 0 CHADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)c(C)c1F ZINC001238520530 1131214049 /nfs/dbraw/zinc/21/40/49/1131214049.db2.gz DSYHJUBJZQGGCT-PBWFPOADSA-N 0 1 297.801 3.929 20 0 CHADMN Cc1[nH]c2ccc(-c3noc(CNCC(C)C)n3)cc2c1C ZINC001118183826 1131214209 /nfs/dbraw/zinc/21/42/09/1131214209.db2.gz PNTRVANGMKELJF-UHFFFAOYSA-N 0 1 298.390 3.580 20 0 CHADMN CCCO[C@@H]1CCN(Cc2cc(C)ccc2Cl)C1 ZINC001238556989 1131214850 /nfs/dbraw/zinc/21/48/50/1131214850.db2.gz NCVVRFNAROLTOG-CQSZACIVSA-N 0 1 267.800 3.649 20 0 CHADMN Fc1ccc(CN2CC[C@@]23CCOC3)cc1-c1ccccc1 ZINC001238547757 1131214876 /nfs/dbraw/zinc/21/48/76/1131214876.db2.gz DBXSANVLYRWXLI-IBGZPJMESA-N 0 1 297.373 3.858 20 0 CHADMN CCN(Cc1cccs1)C(=O)c1ccc(Cl)c(O)c1 ZINC001136155304 1131218778 /nfs/dbraw/zinc/21/87/78/1131218778.db2.gz JVKLXIRRJAHCFY-UHFFFAOYSA-N 0 1 295.791 3.769 20 0 CHADMN CC(C)Oc1cc(CN2CC[C@H](C)C[C@H]2C)cnc1F ZINC001238599865 1131220695 /nfs/dbraw/zinc/22/06/95/1131220695.db2.gz LZRJNBWDIPKMSX-QWHCGFSZSA-N 0 1 280.387 3.628 20 0 CHADMN CSc1ccc(Cl)cc1CN1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001238675352 1131229100 /nfs/dbraw/zinc/22/91/00/1131229100.db2.gz AGEWYHBPBXZHGB-LERXQTSPSA-N 0 1 297.851 3.529 20 0 CHADMN CCc1coc(CN[C@@H]2CCc3c(Cl)cccc3C2)n1 ZINC001171011341 1131418845 /nfs/dbraw/zinc/41/88/45/1131418845.db2.gz CIDXUMBELNVTJZ-CYBMUJFWSA-N 0 1 290.794 3.538 20 0 CHADMN Cc1ccc(-c2noc([C@H]3C[C@H](C)CCN3)n2)cc1Cl ZINC000823258751 1131419616 /nfs/dbraw/zinc/41/96/16/1131419616.db2.gz HSTJXBSSXKSBGL-NOZJJQNGSA-N 0 1 291.782 3.759 20 0 CHADMN COc1cccc2c1CN(Cc1c(C)cccc1C)C2 ZINC001137852713 1131423909 /nfs/dbraw/zinc/42/39/09/1131423909.db2.gz PASAITOWDDICKU-UHFFFAOYSA-N 0 1 267.372 3.828 20 0 CHADMN COc1ccc2c(c1)CN(Cc1c(C)cccc1C)C2 ZINC001137851823 1131424376 /nfs/dbraw/zinc/42/43/76/1131424376.db2.gz YDQKFOAHDUBMHP-UHFFFAOYSA-N 0 1 267.372 3.828 20 0 CHADMN C[C@@H]1CCC[C@H](N(C)Cc2ccnc(Cl)c2F)C1 ZINC000823399382 1131425236 /nfs/dbraw/zinc/42/52/36/1131425236.db2.gz BPZONRQGAVIBKC-PWSUYJOCSA-N 0 1 270.779 3.885 20 0 CHADMN CN(CCc1cccc(F)c1)Cc1cc(F)cc(F)c1F ZINC001137875085 1131428235 /nfs/dbraw/zinc/42/82/35/1131428235.db2.gz HLSOZMCDOVCKAO-UHFFFAOYSA-N 0 1 297.295 3.918 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1ccnc(Cl)c1F ZINC000823484268 1131429404 /nfs/dbraw/zinc/42/94/04/1131429404.db2.gz VFMKPOXBGGXYQG-JTQLQIEISA-N 0 1 290.835 3.838 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC001137894376 1131431046 /nfs/dbraw/zinc/43/10/46/1131431046.db2.gz SGZCFFIPILKEOM-HRCADAONSA-N 0 1 282.472 3.534 20 0 CHADMN CC(C)N(Cc1c(F)ccc(F)c1F)CC1CC1 ZINC001137930576 1131437508 /nfs/dbraw/zinc/43/75/08/1131437508.db2.gz USCQQIIXRMDFLP-UHFFFAOYSA-N 0 1 257.299 3.724 20 0 CHADMN Fc1ccc(CN2CC[C@H]3CCC[C@H]3C2)c(F)c1F ZINC001137935896 1131438736 /nfs/dbraw/zinc/43/87/36/1131438736.db2.gz OUKFOVOXINZOPW-MNOVXSKESA-N 0 1 269.310 3.726 20 0 CHADMN C[C@]1(CN2CCC=C(c3cccnc3)C2)CC1(Cl)Cl ZINC000829897806 1131439059 /nfs/dbraw/zinc/43/90/59/1131439059.db2.gz NHZNLFUQBVKCRE-CQSZACIVSA-N 0 1 297.229 3.755 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1ccc(F)c(F)c1F ZINC001137941504 1131440041 /nfs/dbraw/zinc/44/00/41/1131440041.db2.gz UCWBOPYHAWBADA-GFCCVEGCSA-N 0 1 257.299 3.724 20 0 CHADMN CCCCC[C@@H](NC(=O)C[N@@H+](CC)C1CC1)C(C)(C)C ZINC001136774208 1131441186 /nfs/dbraw/zinc/44/11/86/1131441186.db2.gz VECJMVKXUFFFEN-OAHLLOKOSA-N 0 1 282.472 3.582 20 0 CHADMN CCCCC[C@@H](NC(=O)CN(CC)C1CC1)C(C)(C)C ZINC001136774208 1131441188 /nfs/dbraw/zinc/44/11/88/1131441188.db2.gz VECJMVKXUFFFEN-OAHLLOKOSA-N 0 1 282.472 3.582 20 0 CHADMN COCC[C@H]1CCCCN1Cc1cccc(Cl)c1F ZINC001137961357 1131442469 /nfs/dbraw/zinc/44/24/69/1131442469.db2.gz FJQOOZIENYYETN-CYBMUJFWSA-N 0 1 285.790 3.870 20 0 CHADMN Cc1ccc(CN2CC[C@H](COCC3CC3)C2)c(F)c1F ZINC001137970146 1131443996 /nfs/dbraw/zinc/44/39/96/1131443996.db2.gz XOELXLVBTCQRSV-AWEZNQCLSA-N 0 1 295.373 3.522 20 0 CHADMN F[C@@H]1C[C@@H]2C[C@H]1CN2Cc1cc2ccccc2nc1Cl ZINC001137976879 1131445572 /nfs/dbraw/zinc/44/55/72/1131445572.db2.gz XZVFTZOJYCEXQI-FPMFFAJLSA-N 0 1 290.769 3.821 20 0 CHADMN Cc1cc(CCC(=O)N[C@H](CCC(C)C)C(C)(C)C)n[nH]1 ZINC001136794210 1131445772 /nfs/dbraw/zinc/44/57/72/1131445772.db2.gz GGWVHXAGLWOMLX-OAHLLOKOSA-N 0 1 293.455 3.618 20 0 CHADMN Cc1ccc(F)c(CN2CCC3(CCO3)CC2)c1Cl ZINC001138028146 1131453480 /nfs/dbraw/zinc/45/34/80/1131453480.db2.gz YFUGFSSJHYUEFA-UHFFFAOYSA-N 0 1 283.774 3.542 20 0 CHADMN CO[C@H]1CCCN(Cc2c(F)ccc(C)c2Cl)CC1 ZINC001138027983 1131454544 /nfs/dbraw/zinc/45/45/44/1131454544.db2.gz RLIZIDGQSXGEDM-LBPRGKRZSA-N 0 1 285.790 3.788 20 0 CHADMN Cc1ccc(Cl)c(CN2C[C@H]3CC[C@@H]2C3)c1F ZINC001138034625 1131455863 /nfs/dbraw/zinc/45/58/63/1131455863.db2.gz NEQSFQCCGATBLF-WDEREUQCSA-N 0 1 253.748 3.772 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc2c(c1)NCCC2(C)C ZINC001160322064 1131456366 /nfs/dbraw/zinc/45/63/66/1131456366.db2.gz WGBABFQPTNFOHL-UHFFFAOYSA-N 0 1 282.391 3.809 20 0 CHADMN CCC[C@H]1CCCCN1Cc1cc(F)ncc1F ZINC000824162765 1131457258 /nfs/dbraw/zinc/45/72/58/1131457258.db2.gz ZYEVXQCJMFUDLE-LBPRGKRZSA-N 0 1 254.324 3.514 20 0 CHADMN Cc1ccc(Cl)c(CN2C[C@@H]3CCCC(=O)[C@H]3C2)c1F ZINC001138037063 1131457323 /nfs/dbraw/zinc/45/73/23/1131457323.db2.gz IXFJIALLUKNPSW-RYUDHWBXSA-N 0 1 295.785 3.589 20 0 CHADMN Clc1cccc2c1CC[C@H](N1CCc3ccncc3C1)C2 ZINC001171049362 1131458249 /nfs/dbraw/zinc/45/82/49/1131458249.db2.gz IEWRMGLIRMSFCO-INIZCTEOSA-N 0 1 298.817 3.651 20 0 CHADMN CCCCN(C)Cc1cc(Br)c(F)cc1F ZINC001136849387 1131462528 /nfs/dbraw/zinc/46/25/28/1131462528.db2.gz JGVWQHWLFORTPN-UHFFFAOYSA-N 0 1 292.167 3.959 20 0 CHADMN Fc1ccc(C(F)(F)F)c(CN2C[C@H]3CC[C@@H]2C3)c1 ZINC001138092633 1131463647 /nfs/dbraw/zinc/46/36/47/1131463647.db2.gz QMHUDQQAJZIYQJ-JOYOIKCWSA-N 0 1 273.273 3.829 20 0 CHADMN Clc1cccc(CC2CCN(Cc3c[nH]cn3)CC2)c1 ZINC001136866548 1131467834 /nfs/dbraw/zinc/46/78/34/1131467834.db2.gz ZROGNNJBUJHFJY-UHFFFAOYSA-N 0 1 289.810 3.518 20 0 CHADMN Cc1ccc(F)c(CN2CC3CCC2CC3)c1F ZINC001138119980 1131468614 /nfs/dbraw/zinc/46/86/14/1131468614.db2.gz YOUISHOENZSDDD-UHFFFAOYSA-N 0 1 251.320 3.648 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1ccnc(Cl)c1F ZINC000824417152 1131469293 /nfs/dbraw/zinc/46/92/93/1131469293.db2.gz QJFJOFSIMLZMDB-SNVBAGLBSA-N 0 1 258.768 3.885 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1cn2ccccc2n1 ZINC001136882065 1131470446 /nfs/dbraw/zinc/47/04/46/1131470446.db2.gz ZSEGVLAKRJIOIV-QGZVFWFLSA-N 0 1 279.387 3.917 20 0 CHADMN Cc1ccn2c(CN3CCc4ccc(C)cc4C3)cnc2c1 ZINC001136885219 1131473303 /nfs/dbraw/zinc/47/33/03/1131473303.db2.gz LPVIWQCENLTKSF-UHFFFAOYSA-N 0 1 291.398 3.509 20 0 CHADMN COc1c(C)cnc(CN(C)CCSC(C)(C)C)c1C ZINC000831047521 1131476757 /nfs/dbraw/zinc/47/67/57/1131476757.db2.gz ABYFTEYJXVALSA-UHFFFAOYSA-N 0 1 296.480 3.671 20 0 CHADMN C[C@@H]1C[C@@H](NCc2ccc(Cl)nc2)c2ccccc2O1 ZINC000824650629 1131477827 /nfs/dbraw/zinc/47/78/27/1131477827.db2.gz OFNGMOSJUXMFQR-BXUZGUMPSA-N 0 1 288.778 3.737 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC001138239850 1131481205 /nfs/dbraw/zinc/48/12/05/1131481205.db2.gz SFKRGIUZTPWGFO-OAHLLOKOSA-N 0 1 299.773 3.783 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NC(=O)O[C@H](C)CC(C)C)n[nH]1 ZINC000831260751 1131481492 /nfs/dbraw/zinc/48/14/92/1131481492.db2.gz VNBZMRXPRQOBLS-TUAOUCFPSA-N 0 1 296.415 3.540 20 0 CHADMN CC(C)(C)Oc1cccc(CN2CC(c3ccccc3)C2)n1 ZINC001138284002 1131485993 /nfs/dbraw/zinc/48/59/93/1131485993.db2.gz WFKDOZVOERGBOT-UHFFFAOYSA-N 0 1 296.414 3.858 20 0 CHADMN CN(Cc1cc(O)cc(O)c1)Cc1cccc2ccccc21 ZINC001138328455 1131491617 /nfs/dbraw/zinc/49/16/17/1131491617.db2.gz KHRBOKRMLOHBQV-UHFFFAOYSA-N 0 1 293.366 3.883 20 0 CHADMN CCc1nc(CNCCc2ccc(C(C)C)cc2)co1 ZINC000825055813 1131496003 /nfs/dbraw/zinc/49/60/03/1131496003.db2.gz ARIFWPBHYPIWHZ-UHFFFAOYSA-N 0 1 272.392 3.693 20 0 CHADMN CCc1nc(CN[C@H](C)CCC2CCCC2)co1 ZINC000825056598 1131496287 /nfs/dbraw/zinc/49/62/87/1131496287.db2.gz HEZPYJDUDHAFGM-GFCCVEGCSA-N 0 1 250.386 3.686 20 0 CHADMN CCc1nc(CN[C@@H](C)C[C@H](C)CC(C)C)co1 ZINC000825058166 1131497328 /nfs/dbraw/zinc/49/73/28/1131497328.db2.gz TWJWEOOSJHAABF-OLZOCXBDSA-N 0 1 252.402 3.787 20 0 CHADMN Cc1c2ccccc2[nH]c1CN1CC[C@H](C(F)(F)F)C1 ZINC001138401141 1131499374 /nfs/dbraw/zinc/49/93/74/1131499374.db2.gz BWKDALWFFMUFII-NSHDSACASA-N 0 1 282.309 3.861 20 0 CHADMN COc1c(F)cc(CN2[C@H](C)CCC[C@@H]2C)cc1F ZINC001138420704 1131502675 /nfs/dbraw/zinc/50/26/75/1131502675.db2.gz PUVNNHZJHJOLSM-PHIMTYICSA-N 0 1 269.335 3.736 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cnc(OC)c(C)c1 ZINC001137007763 1131503552 /nfs/dbraw/zinc/50/35/52/1131503552.db2.gz JIEDQJPWLWPTSJ-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN COc1c(C)cc(CN2CC3(C2)CC(F)(F)C3)cc1C ZINC001138426133 1131503595 /nfs/dbraw/zinc/50/35/95/1131503595.db2.gz YNKBVZBTXGMYTF-UHFFFAOYSA-N 0 1 281.346 3.543 20 0 CHADMN COc1c(F)cc(CN2CCC[C@@H](C)[C@@H]2C)cc1F ZINC001138423947 1131504277 /nfs/dbraw/zinc/50/42/77/1131504277.db2.gz HPHYYDLOZUFZKF-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN COc1c(F)cc(CN(C)Cc2ccccc2C)cc1F ZINC001138423992 1131504321 /nfs/dbraw/zinc/50/43/21/1131504321.db2.gz IOFVFIRISSAWTN-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN CCOc1ccc2ccccc2c1CN1CC[C@@H](F)C1 ZINC001138440079 1131506585 /nfs/dbraw/zinc/50/65/85/1131506585.db2.gz ONFNAYJDJKVDAA-CQSZACIVSA-N 0 1 273.351 3.782 20 0 CHADMN Cc1c2ccccc2sc1CN(C)Cc1ccncn1 ZINC001138462877 1131509056 /nfs/dbraw/zinc/50/90/56/1131509056.db2.gz ZIMFAMSHZLLJEX-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN Cc1c2ccccc2sc1CN1CCc2cnn(C)c2C1 ZINC001138464111 1131509369 /nfs/dbraw/zinc/50/93/69/1131509369.db2.gz QPNJKMRKQZYPIB-UHFFFAOYSA-N 0 1 297.427 3.502 20 0 CHADMN Cc1c2ccccc2sc1CN1CCOC2(CC2)C1 ZINC001138463663 1131509826 /nfs/dbraw/zinc/50/98/26/1131509826.db2.gz KRUVYRUXMOBEOZ-UHFFFAOYSA-N 0 1 273.401 3.575 20 0 CHADMN FC(F)(F)Oc1cc(CN2CCCC2)ccc1Cl ZINC001143357241 1131515713 /nfs/dbraw/zinc/51/57/13/1131515713.db2.gz UXLBHKVRYSBIFV-UHFFFAOYSA-N 0 1 279.689 3.834 20 0 CHADMN CC/C(C)=C/C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831884721 1131518052 /nfs/dbraw/zinc/51/80/52/1131518052.db2.gz JWNSFMSWPZNFRP-SSUFTNFISA-N 0 1 289.423 3.595 20 0 CHADMN COc1ccc(F)c(CN2C[C@@H]3[C@H](C2)C3(C)C)c1Cl ZINC001143371104 1131518561 /nfs/dbraw/zinc/51/85/61/1131518561.db2.gz FNBPREJHPBXXCY-PHIMTYICSA-N 0 1 283.774 3.576 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCN1C(C)(C)C ZINC001143641273 1131520543 /nfs/dbraw/zinc/52/05/43/1131520543.db2.gz JBIUMQHDJXMJBZ-JYJNAYRXSA-N 0 1 294.483 3.580 20 0 CHADMN COc1ccc(CN2CC3CC(C3)C2)cc1C(F)(F)F ZINC001143646273 1131521155 /nfs/dbraw/zinc/52/11/55/1131521155.db2.gz LSWVYRGPXYFWCJ-UHFFFAOYSA-N 0 1 285.309 3.556 20 0 CHADMN COc1ccc2c(CN3CCC[C@](C)(F)C3)c[nH]c2c1 ZINC001138585189 1131523305 /nfs/dbraw/zinc/52/33/05/1131523305.db2.gz IHYZFHADLKNCQZ-INIZCTEOSA-N 0 1 276.355 3.501 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1ccccc1N1CCCCC1 ZINC001138605169 1131525819 /nfs/dbraw/zinc/52/58/19/1131525819.db2.gz NBTSYYUTXDGYLK-GDBMZVCRSA-N 0 1 276.399 3.609 20 0 CHADMN Fc1ccccc1-n1cccc1CN1CC2(C1)CCCC2 ZINC001138632007 1131529335 /nfs/dbraw/zinc/52/93/35/1131529335.db2.gz JXFBQLQEZNRJFX-UHFFFAOYSA-N 0 1 284.378 3.992 20 0 CHADMN Cc1c(F)cc(F)cc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001143761647 1131529376 /nfs/dbraw/zinc/52/93/76/1131529376.db2.gz PRAOENMMAOTUNH-CHWSQXEVSA-N 0 1 265.347 3.895 20 0 CHADMN CCCn1ncc(CN(Cc2ccccc2)C2CC2)c1C ZINC001138640277 1131530832 /nfs/dbraw/zinc/53/08/32/1131530832.db2.gz MFZFDQWWXHPUQZ-UHFFFAOYSA-N 0 1 283.419 3.766 20 0 CHADMN Cc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C ZINC001143767702 1131530881 /nfs/dbraw/zinc/53/08/81/1131530881.db2.gz IDNQCORKOBRLHN-MNOVXSKESA-N 0 1 253.336 3.894 20 0 CHADMN Fc1ccccc1-n1cccc1CN1CC2CCC1CC2 ZINC001138633010 1131531228 /nfs/dbraw/zinc/53/12/28/1131531228.db2.gz PIUUIFIPPCCQMC-UHFFFAOYSA-N 0 1 284.378 3.991 20 0 CHADMN Fc1ccc(-n2cc(CN3CC4(C3)CCCCC4)cn2)cc1 ZINC001138654384 1131533060 /nfs/dbraw/zinc/53/30/60/1131533060.db2.gz YRIIPPLAAGYMCZ-UHFFFAOYSA-N 0 1 299.393 3.778 20 0 CHADMN CCSc1ncc(CN2CCCC3(CCCC3)C2)cn1 ZINC001138650496 1131533100 /nfs/dbraw/zinc/53/31/00/1131533100.db2.gz WOGXSPLJDYQFKV-UHFFFAOYSA-N 0 1 291.464 3.745 20 0 CHADMN FC(F)(F)c1ccc(CN2CCCC2)cc1Cl ZINC001143800348 1131535128 /nfs/dbraw/zinc/53/51/28/1131535128.db2.gz FHVUHEJWURTVPZ-UHFFFAOYSA-N 0 1 263.690 3.955 20 0 CHADMN COCC[C@@H]1CCCCN1Cc1cc(F)ccc1Cl ZINC001138674544 1131535141 /nfs/dbraw/zinc/53/51/41/1131535141.db2.gz VMUKZYFXGPWMDS-AWEZNQCLSA-N 0 1 285.790 3.870 20 0 CHADMN COc1c(F)cc(CN2CCCCCC2)cc1Cl ZINC001143839599 1131537764 /nfs/dbraw/zinc/53/77/64/1131537764.db2.gz NSLXONSFKZCFDX-UHFFFAOYSA-N 0 1 271.763 3.864 20 0 CHADMN CNc1ncccc1CN1CCC(c2ccccc2F)CC1 ZINC001138693639 1131538416 /nfs/dbraw/zinc/53/84/16/1131538416.db2.gz WRZLEYHXEDHORI-UHFFFAOYSA-N 0 1 299.393 3.642 20 0 CHADMN CN(C)Cc1ccc(-c2ccc([C@@H](O)C3CC3)cc2)cc1F ZINC000844230041 1131539727 /nfs/dbraw/zinc/53/97/27/1131539727.db2.gz UXORWYKTUIQAHD-LJQANCHMSA-N 0 1 299.389 3.998 20 0 CHADMN C[C@]1(F)CCCCN(Cc2ccc3c(c2)CCCO3)C1 ZINC001138713971 1131540559 /nfs/dbraw/zinc/54/05/59/1131540559.db2.gz KOOHXSVWUPVZEP-KRWDZBQOSA-N 0 1 277.383 3.726 20 0 CHADMN Cc1cccc(Cl)c1CN1CC[C@H]2CCCO[C@@H]2C1 ZINC001138720810 1131541107 /nfs/dbraw/zinc/54/11/07/1131541107.db2.gz CDNBAWUGKMYYIH-CZUORRHYSA-N 0 1 279.811 3.649 20 0 CHADMN CC[C@@H](O)c1cccc(-c2cc(C(F)(F)F)n[nH]2)c1 ZINC000844234392 1131542075 /nfs/dbraw/zinc/54/20/75/1131542075.db2.gz HTMJDGKUBXXYPM-LLVKDONJSA-N 0 1 270.254 3.539 20 0 CHADMN COc1cc(Cl)cc(CN2CCCC2(C)C)c1OC ZINC001138742041 1131545151 /nfs/dbraw/zinc/54/51/51/1131545151.db2.gz HRVCPJUOQWQKOL-UHFFFAOYSA-N 0 1 283.799 3.732 20 0 CHADMN Cc1ccccc1[C@@H](O)CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000832230626 1131548992 /nfs/dbraw/zinc/54/89/92/1131548992.db2.gz CTICBGKALXBWNJ-FUHWJXTLSA-N 0 1 297.398 3.849 20 0 CHADMN Cc1ccccc1[C@@H](O)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000832230628 1131549089 /nfs/dbraw/zinc/54/90/89/1131549089.db2.gz CTICBGKALXBWNJ-WMZOPIPTSA-N 0 1 297.398 3.849 20 0 CHADMN COc1ccc(CN2CCC3(CCCC3)C2)c(F)c1F ZINC001143910273 1131552629 /nfs/dbraw/zinc/55/26/29/1131552629.db2.gz FEAOCVVJDIWSMZ-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN Cn1ncc2c1CCCN(Cc1cccc(C(C)(C)C)c1)C2 ZINC001171120115 1131553002 /nfs/dbraw/zinc/55/30/02/1131553002.db2.gz PPCOJHXMYNXOHB-UHFFFAOYSA-N 0 1 297.446 3.666 20 0 CHADMN FC1CCN(Cc2c[nH]c3c2cccc3Cl)CC1 ZINC001138829965 1131554177 /nfs/dbraw/zinc/55/41/77/1131554177.db2.gz BSLQDQVMXGEAAK-UHFFFAOYSA-N 0 1 266.747 3.755 20 0 CHADMN Clc1cccc2c(CN3CCC[C@]4(CCO4)C3)c[nH]c21 ZINC001138834255 1131554866 /nfs/dbraw/zinc/55/48/66/1131554866.db2.gz ZDOQHIKIJCAMTA-INIZCTEOSA-N 0 1 290.794 3.576 20 0 CHADMN Clc1cccc2c(CN3CC4(CCC4)C3)c[nH]c21 ZINC001138832801 1131554891 /nfs/dbraw/zinc/55/48/91/1131554891.db2.gz PVZPKPMTKIYGFX-UHFFFAOYSA-N 0 1 260.768 3.807 20 0 CHADMN CCOc1ccc(F)c(CN2CCC[C@@H]2CC)c1F ZINC001143937230 1131556004 /nfs/dbraw/zinc/55/60/04/1131556004.db2.gz FHWXYHFPDJEADO-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN Brc1ccc(CN2CC[C@H]3CCC[C@H]3C2)o1 ZINC001138904762 1131559563 /nfs/dbraw/zinc/55/95/63/1131559563.db2.gz OZPFYRUNWNPCGN-MNOVXSKESA-N 0 1 284.197 3.664 20 0 CHADMN CCCN(Cc1c(F)ccc(OC)c1F)[C@H](C)CC ZINC001143970070 1131560622 /nfs/dbraw/zinc/56/06/22/1131560622.db2.gz GRSCMNQZZHPXGA-LLVKDONJSA-N 0 1 271.351 3.984 20 0 CHADMN COc1ccc(F)c(CN2CC[C@H]3CCC[C@H]3C2)c1F ZINC001143967597 1131561121 /nfs/dbraw/zinc/56/11/21/1131561121.db2.gz JZPRCGBTMZUTBA-NEPJUHHUSA-N 0 1 281.346 3.595 20 0 CHADMN FC(F)[C@@H]1CCCN(Cc2cnc3[nH]ccc3c2Cl)C1 ZINC001138936717 1131562404 /nfs/dbraw/zinc/56/24/04/1131562404.db2.gz UPDBDWIDESRUBT-SECBINFHSA-N 0 1 299.752 3.645 20 0 CHADMN FC1(F)[C@H]2CN(Cc3ccc(Cl)c4cccnc34)C[C@H]21 ZINC000844454773 1131562542 /nfs/dbraw/zinc/56/25/42/1131562542.db2.gz URFFQAWXIQFFTF-TXEJJXNPSA-N 0 1 294.732 3.585 20 0 CHADMN FC1(F)C[C@]12CCCN(Cc1ccc(Cl)cc1)C2 ZINC000844433387 1131563576 /nfs/dbraw/zinc/56/35/76/1131563576.db2.gz FTEQRXUTKIBZFU-ZDUSSCGKSA-N 0 1 271.738 3.961 20 0 CHADMN CCCCOc1cccc(CN2CC3(CCC3)C2)c1 ZINC001138952169 1131563969 /nfs/dbraw/zinc/56/39/69/1131563969.db2.gz LFVLGVBWZJRFIE-UHFFFAOYSA-N 0 1 259.393 3.851 20 0 CHADMN CC(C)Oc1ccc(Cl)cc1CN1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001138961891 1131564867 /nfs/dbraw/zinc/56/48/67/1131564867.db2.gz IAVYHBKMQBSOOK-QKDCVEJESA-N 0 1 297.801 3.775 20 0 CHADMN COc1ccc(F)c(CN(C)CC2CCCCC2)c1F ZINC001143980832 1131565900 /nfs/dbraw/zinc/56/59/00/1131565900.db2.gz VELQIKLACXERNJ-UHFFFAOYSA-N 0 1 283.362 3.986 20 0 CHADMN CC(C)Oc1cccc(CN2C[C@@H](C)C[C@H]2CF)c1 ZINC001138983075 1131568515 /nfs/dbraw/zinc/56/85/15/1131568515.db2.gz MCGFNOCRNNONRF-ZFWWWQNUSA-N 0 1 265.372 3.654 20 0 CHADMN CCOc1c(F)cc(CN2CCC(C)CC2)cc1F ZINC001144018187 1131571887 /nfs/dbraw/zinc/57/18/87/1131571887.db2.gz OJIYOEDUSFRKTB-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN CCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C(C)(C)C)C1 ZINC001139049755 1131575695 /nfs/dbraw/zinc/57/56/95/1131575695.db2.gz KHXFRFFVXQYAKR-HOTGVXAUSA-N 0 1 294.483 3.536 20 0 CHADMN CN(Cc1cc2ccccc2o1)C1CC(F)(F)C1 ZINC001139062419 1131578255 /nfs/dbraw/zinc/57/82/55/1131578255.db2.gz WOCGAIMZPFVAQD-UHFFFAOYSA-N 0 1 251.276 3.662 20 0 CHADMN C[C@H]1CN(Cc2cccc(-c3ccc(F)cc3)c2)CCO1 ZINC001139064722 1131578789 /nfs/dbraw/zinc/57/87/89/1131578789.db2.gz FPNWNDLASUZZDP-AWEZNQCLSA-N 0 1 285.362 3.713 20 0 CHADMN Clc1cc(CN2CCCC3(CCC3)C2)cc2c1OCO2 ZINC001139074762 1131580163 /nfs/dbraw/zinc/58/01/63/1131580163.db2.gz SXHWKYMYZURFHF-UHFFFAOYSA-N 0 1 293.794 3.835 20 0 CHADMN COc1ccc(CN2CC[C@H](C)C[C@H]2C)c(Cl)c1OC ZINC001139118277 1131582244 /nfs/dbraw/zinc/58/22/44/1131582244.db2.gz ROROWUKGLOKABM-NWDGAFQWSA-N 0 1 297.826 3.978 20 0 CHADMN CCCCC1CCN(Cc2ccc(OC)c(OC)n2)CC1 ZINC001139101909 1131582397 /nfs/dbraw/zinc/58/23/97/1131582397.db2.gz QZPQQBMFUHQDJV-UHFFFAOYSA-N 0 1 292.423 3.501 20 0 CHADMN Cc1c(O)cccc1CN(C)Cc1cccc(Cl)c1 ZINC001144117514 1131586344 /nfs/dbraw/zinc/58/63/44/1131586344.db2.gz ZMKDZGDWNCESPA-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2cccc3c2ccn3C)no1 ZINC001139156758 1131588249 /nfs/dbraw/zinc/58/82/49/1131588249.db2.gz HQRBFAPIUYFFEB-GOSISDBHSA-N 0 1 295.386 3.812 20 0 CHADMN CC[N@@H+](Cc1cccnc1)Cc1cccc2c1ccn2C ZINC001139159106 1131589106 /nfs/dbraw/zinc/58/91/06/1131589106.db2.gz IFJALXWVYTWMKB-UHFFFAOYSA-N 0 1 279.387 3.595 20 0 CHADMN CN(Cc1ccsc1)Cc1ccc2cccnc2c1 ZINC001139168526 1131590501 /nfs/dbraw/zinc/59/05/01/1131590501.db2.gz PJYLGBJQDQLGBP-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN Cc1cccc([C@@H]2CCCN2CN2C(=O)CC23CCCC3)c1 ZINC000844689086 1131592187 /nfs/dbraw/zinc/59/21/87/1131592187.db2.gz SELKERORYLSEBB-KRWDZBQOSA-N 0 1 298.430 3.635 20 0 CHADMN Cn1ccc2cc(CN3Cc4ccccc4C3)ccc21 ZINC001139188336 1131592560 /nfs/dbraw/zinc/59/25/60/1131592560.db2.gz DXQNURLDDJYERM-UHFFFAOYSA-N 0 1 262.356 3.694 20 0 CHADMN C[C@H]1CCN1Cc1cc2cc(Br)ccc2[nH]1 ZINC001139182610 1131592827 /nfs/dbraw/zinc/59/28/27/1131592827.db2.gz VRYIUXYVZJZJOD-VIFPVBQESA-N 0 1 279.181 3.525 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1ccc2cc[nH]c2n1 ZINC001144185683 1131597689 /nfs/dbraw/zinc/59/76/89/1131597689.db2.gz JVSXPEMXDXSNNB-CYBMUJFWSA-N 0 1 295.386 3.765 20 0 CHADMN CC[C@@H]1CCN(Cc2ccc(Br)c(OC)c2)C1 ZINC001144238243 1131599855 /nfs/dbraw/zinc/59/98/55/1131599855.db2.gz INBKMVKZJVKDCD-LLVKDONJSA-N 0 1 298.224 3.690 20 0 CHADMN Clc1nc(-c2ccccc2)[nH]c1CN1CCC[C@H]2C[C@H]21 ZINC001139285654 1131600615 /nfs/dbraw/zinc/60/06/15/1131600615.db2.gz ZNDFSJPTZKMCPL-GXTWGEPZSA-N 0 1 287.794 3.714 20 0 CHADMN Oc1ccc(C[N@H+]2CCC[C@H](CCc3ccccc3)C2)nc1 ZINC001144264562 1131607161 /nfs/dbraw/zinc/60/71/61/1131607161.db2.gz WSGWQCKYKOPQRL-QGZVFWFLSA-N 0 1 296.414 3.632 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)Cc1ccc(=O)[nH]c1 ZINC001139469548 1131609415 /nfs/dbraw/zinc/60/94/15/1131609415.db2.gz WTKHYMAJXMGSJH-NSHDSACASA-N 0 1 276.767 3.634 20 0 CHADMN F[C@@H]1CN(Cc2ccc(-c3ccccc3)nc2)C[C@@H]2C[C@@H]21 ZINC001139520465 1131612247 /nfs/dbraw/zinc/61/22/47/1131612247.db2.gz IYUZUPFAQCOQLR-YESZJQIVSA-N 0 1 282.362 3.538 20 0 CHADMN CCCO[C@@H]1CCN(Cc2ccc(OCC)c(Cl)c2)C1 ZINC001139596063 1131619232 /nfs/dbraw/zinc/61/92/32/1131619232.db2.gz QQPOSNMASJASHT-CQSZACIVSA-N 0 1 297.826 3.740 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(C)cnc2Cl)C1 ZINC001139595060 1131620001 /nfs/dbraw/zinc/62/00/01/1131620001.db2.gz IGMAWRVOKMRTFG-LBPRGKRZSA-N 0 1 252.789 3.665 20 0 CHADMN COc1ccc(CN2CC3(CCC3)C2)cc1C(C)C ZINC001139615388 1131622785 /nfs/dbraw/zinc/62/27/85/1131622785.db2.gz PREZFNPMGMEVNA-UHFFFAOYSA-N 0 1 259.393 3.805 20 0 CHADMN Oc1ccc(CN2CCC(CF)CC2)c(C(F)(F)F)c1 ZINC001144385983 1131623763 /nfs/dbraw/zinc/62/37/63/1131623763.db2.gz MNTQIXBCLNANSM-UHFFFAOYSA-N 0 1 291.288 3.593 20 0 CHADMN CCOc1ccc(CN(C)Cc2cccnc2)cc1CC ZINC001139619136 1131623916 /nfs/dbraw/zinc/62/39/16/1131623916.db2.gz XGKDGXWSGBXQJG-UHFFFAOYSA-N 0 1 284.403 3.675 20 0 CHADMN CC(C)Oc1ccnc(NC2CC3(C2)CC(F)(F)C3)c1 ZINC001160589933 1131624192 /nfs/dbraw/zinc/62/41/92/1131624192.db2.gz BKNDHDPGKLLMCD-UHFFFAOYSA-N 0 1 282.334 3.859 20 0 CHADMN C[C@@]1(F)CCCN(Cc2c[nH]c3nc(Cl)ccc23)C1 ZINC001144410260 1131626076 /nfs/dbraw/zinc/62/60/76/1131626076.db2.gz JACCSOXPAFFHQP-CQSZACIVSA-N 0 1 281.762 3.540 20 0 CHADMN Cc1cc([C@H]2CCC[N@H+]2Cc2c(C)cc(O)cc2C)no1 ZINC001139711071 1131631130 /nfs/dbraw/zinc/63/11/30/1131631130.db2.gz FZPGFEQVAACAMN-QGZVFWFLSA-N 0 1 286.375 3.643 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2c(C)cc(O)cc2C)no1 ZINC001139711071 1131631133 /nfs/dbraw/zinc/63/11/33/1131631133.db2.gz FZPGFEQVAACAMN-QGZVFWFLSA-N 0 1 286.375 3.643 20 0 CHADMN Cc1cc(O)cc(C)c1C[N@@H+](C)Cc1ccc(F)cc1 ZINC001139711877 1131631327 /nfs/dbraw/zinc/63/13/27/1131631327.db2.gz MHVJPCIXLLXWTL-UHFFFAOYSA-N 0 1 273.351 3.780 20 0 CHADMN Cc1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)cc1Br ZINC001139731235 1131633441 /nfs/dbraw/zinc/63/34/41/1131633441.db2.gz GMAFCINGOLRVPD-OBJOEFQTSA-N 0 1 298.199 3.690 20 0 CHADMN c1ccc([C@@H]2CCN2Cc2cnc3cccnc3c2)cc1 ZINC001139742624 1131633532 /nfs/dbraw/zinc/63/35/32/1131633532.db2.gz FRHWYKKRWFSXQY-SFHVURJKSA-N 0 1 275.355 3.577 20 0 CHADMN CCN(Cc1cccs1)Cc1cnc2cccnc2c1 ZINC001139743596 1131634063 /nfs/dbraw/zinc/63/40/63/1131634063.db2.gz IUESWMBSCCRONX-UHFFFAOYSA-N 0 1 283.400 3.713 20 0 CHADMN CN(Cc1cnc(Br)cc1Cl)C(C)(C)C ZINC001140077825 1131662055 /nfs/dbraw/zinc/66/20/55/1131662055.db2.gz QNCVTMKPQDAHEL-UHFFFAOYSA-N 0 1 291.620 3.728 20 0 CHADMN COc1ccc(CN2CCC(c3cccs3)CC2)nc1 ZINC001144428480 1131634289 /nfs/dbraw/zinc/63/42/89/1131634289.db2.gz OVIWBAYJDQTODA-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN COc1ncc(Cl)cc1CN1CCC[C@H](C)[C@@H](C)C1 ZINC001139744784 1131634828 /nfs/dbraw/zinc/63/48/28/1131634828.db2.gz SLDZKVPPTBXWGW-RYUDHWBXSA-N 0 1 282.815 3.612 20 0 CHADMN COC[C@H](CC(C)(C)C)NCc1c(F)cccc1F ZINC001202971199 1131636477 /nfs/dbraw/zinc/63/64/77/1131636477.db2.gz PODDHDNFHXMQKV-NSHDSACASA-N 0 1 271.351 3.506 20 0 CHADMN Cc1ccc(CN2CCCC[C@H]2c2cccnc2)nc1 ZINC001139838723 1131640292 /nfs/dbraw/zinc/64/02/92/1131640292.db2.gz OABIKBYQQWLMRQ-KRWDZBQOSA-N 0 1 267.376 3.512 20 0 CHADMN CO[C@H]1CN(Cc2cccc3c4ccccc4oc32)C[C@@H]1F ZINC001139857779 1131641469 /nfs/dbraw/zinc/64/14/69/1131641469.db2.gz QMZQCNFDHPMJRA-RDJZCZTQSA-N 0 1 299.345 3.755 20 0 CHADMN C[C@@H]1CN(Cc2cccc3c4ccccc4oc32)CCO1 ZINC001139856413 1131641495 /nfs/dbraw/zinc/64/14/95/1131641495.db2.gz RNQNTZLSILIBJB-CYBMUJFWSA-N 0 1 281.355 3.807 20 0 CHADMN Cn1c(CN2CCc3ccsc3C2)cc2ccccc21 ZINC001139871121 1131643629 /nfs/dbraw/zinc/64/36/29/1131643629.db2.gz YHHLEQSDKPFZRC-UHFFFAOYSA-N 0 1 282.412 3.798 20 0 CHADMN C[C@@H]1CN(Cc2ccc(F)c3ccccc23)C[C@H](C)O1 ZINC001139886648 1131646531 /nfs/dbraw/zinc/64/65/31/1131646531.db2.gz BNZDWPKDUWFLJV-BETUJISGSA-N 0 1 273.351 3.588 20 0 CHADMN CC1(C)CN(Cc2ccc(F)c3ccccc23)CCO1 ZINC001139887935 1131646595 /nfs/dbraw/zinc/64/65/95/1131646595.db2.gz FJARBQNJHSFTTA-UHFFFAOYSA-N 0 1 273.351 3.590 20 0 CHADMN [O-]c1cccc2c(N3CCC[C@]4(CC4(F)F)C3)cc[nH+]c12 ZINC000845742522 1131654549 /nfs/dbraw/zinc/65/45/49/1131654549.db2.gz KBGZUFDUGQOZMV-HNNXBMFYSA-N 0 1 290.313 3.566 20 0 CHADMN COc1ccc(C[N@@H+](C)Cc2cc3ccccc3cn2)cc1 ZINC001139996625 1131654821 /nfs/dbraw/zinc/65/48/21/1131654821.db2.gz NEMPAAPPQMJTKM-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN COc1ccc(CN(C)Cc2cc3ccccc3cn2)cc1 ZINC001139996625 1131654822 /nfs/dbraw/zinc/65/48/22/1131654822.db2.gz NEMPAAPPQMJTKM-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN c1ccc2cc(C[N@H+]3CCC[C@H]3c3cccnc3)ncc2c1 ZINC001139994994 1131655399 /nfs/dbraw/zinc/65/53/99/1131655399.db2.gz GIONGFDQEOEHIC-IBGZPJMESA-N 0 1 289.382 3.967 20 0 CHADMN c1ccc2cc(CN3CCC[C@H]3c3cccnc3)ncc2c1 ZINC001139994994 1131655401 /nfs/dbraw/zinc/65/54/01/1131655401.db2.gz GIONGFDQEOEHIC-IBGZPJMESA-N 0 1 289.382 3.967 20 0 CHADMN CSc1nccc(C[N@@H+](Cc2ccccc2)C2CCC2)n1 ZINC001140039167 1131658327 /nfs/dbraw/zinc/65/83/27/1131658327.db2.gz SYVRBIGCTCQRJA-UHFFFAOYSA-N 0 1 299.443 3.753 20 0 CHADMN CSc1nccc(CN(Cc2ccccc2)C2CCC2)n1 ZINC001140039167 1131658329 /nfs/dbraw/zinc/65/83/29/1131658329.db2.gz SYVRBIGCTCQRJA-UHFFFAOYSA-N 0 1 299.443 3.753 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC001140047368 1131658658 /nfs/dbraw/zinc/65/86/58/1131658658.db2.gz FJZLNETTWIIVII-HNNXBMFYSA-N 0 1 285.362 3.911 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CCC[C@H]2c2ccccc2)c1 ZINC001140048955 1131659126 /nfs/dbraw/zinc/65/91/26/1131659126.db2.gz SHTPZVRINCDAEN-KRWDZBQOSA-N 0 1 271.335 3.868 20 0 CHADMN Oc1ccc(F)c(CN2CCC[C@H]2c2ccccc2)c1 ZINC001140048955 1131659131 /nfs/dbraw/zinc/65/91/31/1131659131.db2.gz SHTPZVRINCDAEN-KRWDZBQOSA-N 0 1 271.335 3.868 20 0 CHADMN CC[C@H](COC(=O)c1cc(-c2ccco2)n[nH]1)CC(F)F ZINC000845766154 1131659364 /nfs/dbraw/zinc/65/93/64/1131659364.db2.gz FFLSXZGPALHZGY-VIFPVBQESA-N 0 1 298.289 3.508 20 0 CHADMN COc1ccc2n[nH]c(C[N@@H+](C)Cc3ccccc3C)c2c1 ZINC001140067149 1131660877 /nfs/dbraw/zinc/66/08/77/1131660877.db2.gz IKKLOIKPIICCIU-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN COc1ccc2n[nH]c(CN(C)Cc3ccccc3C)c2c1 ZINC001140067149 1131660878 /nfs/dbraw/zinc/66/08/78/1131660878.db2.gz IKKLOIKPIICCIU-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN Oc1ccc(CN2CCCc3ccccc3C2)c(Cl)c1 ZINC001140084916 1131662568 /nfs/dbraw/zinc/66/25/68/1131662568.db2.gz FIVUSGLSYBSTHE-UHFFFAOYSA-N 0 1 287.790 3.994 20 0 CHADMN Oc1ccc(CN2CCC(C(F)F)CC2)c(Cl)c1 ZINC001140085708 1131663255 /nfs/dbraw/zinc/66/32/55/1131663255.db2.gz WFVBRKNAIAQXKZ-UHFFFAOYSA-N 0 1 275.726 3.523 20 0 CHADMN CC(=CC(=O)Nc1ccc(Nc2ccncc2)cc1)C1CC1 ZINC001144589782 1131663328 /nfs/dbraw/zinc/66/33/28/1131663328.db2.gz TXQMQCJAIVPNET-SEYXRHQNSA-N 0 1 293.370 3.542 20 0 CHADMN CN(Cc1ccccc1)Cc1cc(C(F)(F)F)ccn1 ZINC001140101836 1131664041 /nfs/dbraw/zinc/66/40/41/1131664041.db2.gz BALCCTMVRHVNAZ-UHFFFAOYSA-N 0 1 280.293 3.732 20 0 CHADMN CC[C@H](NC(=O)C=CC1CCCCCC1)c1ncc[nH]1 ZINC000845953136 1131670040 /nfs/dbraw/zinc/67/00/40/1131670040.db2.gz VGZRXNWJGISOGO-CMUBDUJZSA-N 0 1 275.396 3.504 20 0 CHADMN COc1ccc(CNC(C)(C)c2ccc(F)cc2)c(F)c1 ZINC000845931630 1131672074 /nfs/dbraw/zinc/67/20/74/1131672074.db2.gz UFXRQSRIMBLGOS-UHFFFAOYSA-N 0 1 291.341 3.998 20 0 CHADMN O[C@@H](CN1CC[C@H]1C1CC1)c1ccc(Cl)cc1Cl ZINC000834382853 1131674050 /nfs/dbraw/zinc/67/40/50/1131674050.db2.gz PEKLYOAKUPLMGN-KBPBESRZSA-N 0 1 286.202 3.511 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2c[nH]c3cccc(O)c23)C1 ZINC001140229953 1131680053 /nfs/dbraw/zinc/68/00/53/1131680053.db2.gz KSPCYIRYAYZKGR-MRXNPFEDSA-N 0 1 276.355 3.588 20 0 CHADMN O=C([O-])c1ccsc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC001144677533 1131680401 /nfs/dbraw/zinc/68/04/01/1131680401.db2.gz UMSSNRSQGBWNRW-UHFFFAOYSA-N 0 1 287.384 3.611 20 0 CHADMN O=C([O-])c1ccsc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001144677480 1131680439 /nfs/dbraw/zinc/68/04/39/1131680439.db2.gz RUSRBEKWQVTCHR-AAEUAGOBSA-N 0 1 279.405 3.601 20 0 CHADMN CCCN(CCC)c1ccc(NCc2cnn(C)c2)cc1 ZINC000846061560 1131686491 /nfs/dbraw/zinc/68/64/91/1131686491.db2.gz PWPBTBVHWFDCBX-UHFFFAOYSA-N 0 1 286.423 3.659 20 0 CHADMN FC1(F)[C@H]2CN(Cc3ccc(-c4ccccc4)o3)C[C@H]21 ZINC000846109529 1131687535 /nfs/dbraw/zinc/68/75/35/1131687535.db2.gz FAVMMHBMDXDRLA-OKILXGFUSA-N 0 1 275.298 3.644 20 0 CHADMN FC1(F)C[C@]12CCCN(Cc1cnc(C3CC3)s1)C2 ZINC000846110068 1131687761 /nfs/dbraw/zinc/68/77/61/1131687761.db2.gz YTHMRLRTBKXJQG-ZDUSSCGKSA-N 0 1 284.375 3.642 20 0 CHADMN Clc1cnc(CNCCC[C@@H]2CC2(Cl)Cl)s1 ZINC000846104042 1131690580 /nfs/dbraw/zinc/69/05/80/1131690580.db2.gz CEVCBDAQNGPSDW-SSDOTTSWSA-N 0 1 299.654 3.860 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@H](c1ccccc1F)[C@@H](C)O ZINC000846184813 1131696601 /nfs/dbraw/zinc/69/66/01/1131696601.db2.gz VYTALCRDZUVMRU-VMDGZTHMSA-N 0 1 299.389 3.833 20 0 CHADMN c1nc2cc(CN3CC4(C3)CCCC4)ccc2s1 ZINC001144733834 1131696930 /nfs/dbraw/zinc/69/69/30/1131696930.db2.gz BLJWNVXFNSMAFM-UHFFFAOYSA-N 0 1 258.390 3.672 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2cccc(-c3nccs3)c2)C1 ZINC001140335836 1131700880 /nfs/dbraw/zinc/70/08/80/1131700880.db2.gz OAJHCKKOKPIGEV-WFASDCNBSA-N 0 1 290.407 3.990 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCC[C@@H](C)[C@H]1C ZINC001144754015 1131701665 /nfs/dbraw/zinc/70/16/65/1131701665.db2.gz AOGLIPUQOMTZED-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN C/C(=C/C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000846235419 1131702214 /nfs/dbraw/zinc/70/22/14/1131702214.db2.gz FJHJUTHZQDXDFP-MOJYJUKOSA-N 0 1 285.387 3.559 20 0 CHADMN C/C(=C/C[N@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000846242208 1131702952 /nfs/dbraw/zinc/70/29/52/1131702952.db2.gz XLICZWWKLAELNT-UCQJPZFISA-N 0 1 293.794 3.896 20 0 CHADMN C/C(=C/C[N@@H+](Cc1ccccc1)C1CCCCC1)C(=O)[O-] ZINC000846237942 1131703240 /nfs/dbraw/zinc/70/32/40/1131703240.db2.gz OAUTTYWKOWAKAM-QINSGFPZSA-N 0 1 287.403 3.852 20 0 CHADMN CC(C)Cc1ccc(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000846275533 1131705299 /nfs/dbraw/zinc/70/52/99/1131705299.db2.gz ILGAGFAHHXYYJQ-AWEZNQCLSA-N 0 1 289.419 3.570 20 0 CHADMN C[C@@H](N[C@H]1CCn2ccnc21)c1cc2c(s1)CCCC2 ZINC000834837828 1131710217 /nfs/dbraw/zinc/71/02/17/1131710217.db2.gz ZHLACVUAGDHZCT-YPMHNXCESA-N 0 1 287.432 3.619 20 0 CHADMN Fc1c(Cl)cccc1Nc1ccnn1-c1ccncc1 ZINC001203033525 1131715919 /nfs/dbraw/zinc/71/59/19/1131715919.db2.gz CZXTZOUELUXDOT-UHFFFAOYSA-N 0 1 288.713 3.803 20 0 CHADMN CCc1ncc(CN[C@H](c2cccs2)C2CC2)o1 ZINC000834898499 1131723263 /nfs/dbraw/zinc/72/32/63/1131723263.db2.gz FGTSKISCHFXHIJ-AWEZNQCLSA-N 0 1 262.378 3.539 20 0 CHADMN CCCC[C@H](CCC)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227717579 1131728056 /nfs/dbraw/zinc/72/80/56/1131728056.db2.gz YZQKNCGVIAJONO-MNOVXSKESA-N 0 1 280.368 3.511 20 0 CHADMN Cc1nc2cc(N[C@@H]3CCOC4(CCCC4)C3)ccc2n1C ZINC000846752664 1131729921 /nfs/dbraw/zinc/72/99/21/1131729921.db2.gz DTMKYDISODTQCN-OAHLLOKOSA-N 0 1 299.418 3.785 20 0 CHADMN C[C@@H]1CCCN(Cc2cnc3ccc(Cl)cn23)[C@H]1C ZINC001140431202 1131732956 /nfs/dbraw/zinc/73/29/56/1131732956.db2.gz JMRCRQVXOVYQDC-NEPJUHHUSA-N 0 1 277.799 3.608 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1cnc2ccc(Cl)cn12 ZINC001140431355 1131733228 /nfs/dbraw/zinc/73/32/28/1131733228.db2.gz QIGLHXQTXFAVIH-NWDGAFQWSA-N 0 1 277.799 3.608 20 0 CHADMN CCC(=O)CCN1CCC(=Cc2cccc(F)c2)CC1 ZINC000846831091 1131740010 /nfs/dbraw/zinc/74/00/10/1131740010.db2.gz RLNQGQUWPABQLR-UHFFFAOYSA-N 0 1 275.367 3.674 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2-c2nccs2)C[C@@H]1F ZINC001140449082 1131743624 /nfs/dbraw/zinc/74/36/24/1131743624.db2.gz AVMNJIYBCAZDIE-RISCZKNCSA-N 0 1 276.380 3.600 20 0 CHADMN CC(C)[N@H+]1CCC[C@H](Oc2c(F)cc(Cl)cc2F)C1 ZINC001227848014 1131751505 /nfs/dbraw/zinc/75/15/05/1131751505.db2.gz SVVMTBZDEUZAGV-NSHDSACASA-N 0 1 289.753 3.870 20 0 CHADMN CC(C)N1CCC[C@H](Oc2c(F)cc(Cl)cc2F)C1 ZINC001227848014 1131751511 /nfs/dbraw/zinc/75/15/11/1131751511.db2.gz SVVMTBZDEUZAGV-NSHDSACASA-N 0 1 289.753 3.870 20 0 CHADMN CSC1CCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC001140538831 1131783788 /nfs/dbraw/zinc/78/37/88/1131783788.db2.gz MVKPDSWEGZKLJZ-UHFFFAOYSA-N 0 1 273.804 3.807 20 0 CHADMN Cc1cc(Br)c(CN[C@@H](C)c2ccc[nH]2)s1 ZINC000835041934 1131762280 /nfs/dbraw/zinc/76/22/80/1131762280.db2.gz PJIKWGTXFNEGCU-VIFPVBQESA-N 0 1 299.237 3.998 20 0 CHADMN c1oc(C2CC2)nc1CNc1ccc2cnccc2c1 ZINC000835066090 1131768205 /nfs/dbraw/zinc/76/82/05/1131768205.db2.gz ODROEPKUSGSNLY-UHFFFAOYSA-N 0 1 265.316 3.712 20 0 CHADMN Fc1cc(Cl)cc(CN2CCC23CCCC3)c1 ZINC001140537061 1131783395 /nfs/dbraw/zinc/78/33/95/1131783395.db2.gz NTRSXGPAIOSFKD-UHFFFAOYSA-N 0 1 253.748 3.998 20 0 CHADMN COCC[C@H]1CCCCN1Cc1cc(F)cc(Cl)c1 ZINC001140538011 1131783748 /nfs/dbraw/zinc/78/37/48/1131783748.db2.gz BKOJMOJJPFYXFK-OAHLLOKOSA-N 0 1 285.790 3.870 20 0 CHADMN C[C@@H]1CN(Cc2cccc(O)c2Br)C2(CC2)C1 ZINC001140552556 1131790040 /nfs/dbraw/zinc/79/00/40/1131790040.db2.gz IVBDJIKJWBTHSH-JTQLQIEISA-N 0 1 296.208 3.529 20 0 CHADMN C[C@@H]1CN(Cc2cccc(F)c2Cl)C2(CC2)C1 ZINC001140568043 1131797570 /nfs/dbraw/zinc/79/75/70/1131797570.db2.gz OJLPPNKZFFPLQT-JTQLQIEISA-N 0 1 253.748 3.854 20 0 CHADMN CC[C@@H](NCc1noc(-c2ccccc2C)n1)[C@@H]1CC1(C)C ZINC001171287820 1131799236 /nfs/dbraw/zinc/79/92/36/1131799236.db2.gz XKAUTHOWDNKQQS-LSDHHAIUSA-N 0 1 299.418 3.959 20 0 CHADMN c1sc2ccccc2c1CN1CCc2ccncc2C1 ZINC001140638136 1131838144 /nfs/dbraw/zinc/83/81/44/1131838144.db2.gz IOXTVXIJBURMMN-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN Fc1cc(-c2cccc3cncn32)cc(N2CCCC2)c1 ZINC001206131263 1131843313 /nfs/dbraw/zinc/84/33/13/1131843313.db2.gz WKHDMCIVYLSYOO-UHFFFAOYSA-N 0 1 281.334 3.741 20 0 CHADMN FC(F)(F)[C@H]1CC[N@@H+](Cc2cccc3ccncc32)C1 ZINC001140643663 1131843617 /nfs/dbraw/zinc/84/36/17/1131843617.db2.gz HMYICJHAHIJVGW-ZDUSSCGKSA-N 0 1 280.293 3.619 20 0 CHADMN CC(C)CCC[C@@H](C)N(CCC(C)C)C(=O)CN(C)C ZINC001148370738 1131851943 /nfs/dbraw/zinc/85/19/43/1131851943.db2.gz DJWCJZVZKFWIAF-MRXNPFEDSA-N 0 1 284.488 3.638 20 0 CHADMN COc1ncc(C[N@H+]2CC[C@@H](C3CCCC3)C2)cc1Cl ZINC001171331164 1131853714 /nfs/dbraw/zinc/85/37/14/1131853714.db2.gz HMQRURWFLYWDQU-CQSZACIVSA-N 0 1 294.826 3.756 20 0 CHADMN COc1ncc(CN2CC[C@@H](C3CCCC3)C2)cc1Cl ZINC001171331164 1131853720 /nfs/dbraw/zinc/85/37/20/1131853720.db2.gz HMQRURWFLYWDQU-CQSZACIVSA-N 0 1 294.826 3.756 20 0 CHADMN Cc1c(Br)ccc(O[C@H]2CCC[N@H+](C)C2)c1C ZINC001228322710 1131857141 /nfs/dbraw/zinc/85/71/41/1131857141.db2.gz IYTSVZPLFWVVIC-LBPRGKRZSA-N 0 1 298.224 3.539 20 0 CHADMN COc1ccc(CN2CCc3ccc(OC)cc3C2)c(C)c1 ZINC001140673327 1131857159 /nfs/dbraw/zinc/85/71/59/1131857159.db2.gz IQWNVTNHORETNV-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN Cc1nc2ccc(O[C@@H](C)c3cnc4ccccn43)cc2[nH]1 ZINC001228326155 1131860304 /nfs/dbraw/zinc/86/03/04/1131860304.db2.gz GAOWRIANFSCVJJ-NSHDSACASA-N 0 1 292.342 3.659 20 0 CHADMN C[C@H]1CCc2ccccc2N1C(=O)c1c(O)cccc1F ZINC000235628102 1131866344 /nfs/dbraw/zinc/86/63/44/1131866344.db2.gz XCNIJNVGDIDJQD-NSHDSACASA-N 0 1 285.318 3.513 20 0 CHADMN Fc1cc(CN2C[C@@H]3CCC[C@@H]3C2)c(F)cc1Cl ZINC001140699232 1131880250 /nfs/dbraw/zinc/88/02/50/1131880250.db2.gz IBZYGSWNCGPDHX-AOOOYVTPSA-N 0 1 271.738 3.850 20 0 CHADMN CC(C)(C)N1CC(Oc2cccc(N3CCCCC3)c2)C1 ZINC001228430736 1131882061 /nfs/dbraw/zinc/88/20/61/1131882061.db2.gz JSORHTQOOCXIAO-UHFFFAOYSA-N 0 1 288.435 3.538 20 0 CHADMN CN(C/C=C/c1ccc(F)c(F)c1)Cc1cccnc1 ZINC000348118303 1131884176 /nfs/dbraw/zinc/88/41/76/1131884176.db2.gz OYAFWXAFXRKKFJ-HWKANZROSA-N 0 1 274.314 3.505 20 0 CHADMN Cc1nn(C)c(C)c1CN1CCC[C@@H]1c1ccccc1F ZINC001203059108 1131893927 /nfs/dbraw/zinc/89/39/27/1131893927.db2.gz CFCRTFBIHAPSBK-QGZVFWFLSA-N 0 1 287.382 3.513 20 0 CHADMN Cc1ccc(Cl)cc1[C@@H](C)Oc1[nH]c(=O)ncc1Cl ZINC001228481284 1131893990 /nfs/dbraw/zinc/89/39/90/1131893990.db2.gz ZTBIWBWBPFWOQA-MRVPVSSYSA-N 0 1 299.157 3.937 20 0 CHADMN FC(F)(F)c1cccnc1CN1CCCC2(CCC2)C1 ZINC000348192345 1131895754 /nfs/dbraw/zinc/89/57/54/1131895754.db2.gz HJZATKQZQLNIOQ-UHFFFAOYSA-N 0 1 284.325 3.867 20 0 CHADMN Cc1cccc(NC(=O)[C@H](C)N2CCCC3(CCC3)C2)c1 ZINC000348192683 1131896781 /nfs/dbraw/zinc/89/67/81/1131896781.db2.gz IYJHDRNIJMWMTK-HNNXBMFYSA-N 0 1 286.419 3.588 20 0 CHADMN Clc1ncc2ccccc2c1CN1CCC[C@@H]2C[C@@H]21 ZINC001140727045 1131897357 /nfs/dbraw/zinc/89/73/57/1131897357.db2.gz WCDIFTUNBRMMPA-ABAIWWIYSA-N 0 1 272.779 3.873 20 0 CHADMN CCCCN(CC)Cc1c(Cl)cccc1OC ZINC001140725767 1131898273 /nfs/dbraw/zinc/89/82/73/1131898273.db2.gz NBZQOSLINSCFHY-UHFFFAOYSA-N 0 1 255.789 3.971 20 0 CHADMN CC[C@H](CO)N(Cc1ccc(Cl)o1)Cc1ccccc1 ZINC000348169265 1131898501 /nfs/dbraw/zinc/89/85/01/1131898501.db2.gz AZJZXAAQMIPTFT-CQSZACIVSA-N 0 1 293.794 3.706 20 0 CHADMN CC[C@]1(C)CCCN([C@H](C)C(=O)c2c[nH]c3ncccc23)C1 ZINC000348181050 1131899346 /nfs/dbraw/zinc/89/93/46/1131899346.db2.gz IIBBACDNBNNFFX-FZKQIMNGSA-N 0 1 299.418 3.646 20 0 CHADMN CC(C)CCC[C@@H](C)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228510633 1131899673 /nfs/dbraw/zinc/89/96/73/1131899673.db2.gz WDPFLELKTPCDTA-SECBINFHSA-N 0 1 282.775 3.600 20 0 CHADMN CC[C@H](C)CC[C@H](C)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507201 1131900129 /nfs/dbraw/zinc/90/01/29/1131900129.db2.gz IQROAOGQPIBYBC-IUCAKERBSA-N 0 1 282.775 3.600 20 0 CHADMN CC[C@H]1CCC[C@H]1NCc1nnc(Cc2ccccc2C)o1 ZINC000348175643 1131900210 /nfs/dbraw/zinc/90/02/10/1131900210.db2.gz YSNDYPIDZJYSPH-GOEBONIOSA-N 0 1 299.418 3.637 20 0 CHADMN CCN(Cc1ccc2ncn(C)c2c1)Cc1ccccc1F ZINC001140738418 1131904664 /nfs/dbraw/zinc/90/46/64/1131904664.db2.gz AFFUDLHHZZXEHW-UHFFFAOYSA-N 0 1 297.377 3.735 20 0 CHADMN Cc1cccc(CN(C)Cc2cc(O)cc(Cl)c2)c1 ZINC001140785884 1131917841 /nfs/dbraw/zinc/91/78/41/1131917841.db2.gz AMXHMQSDXHHQBZ-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cc(O)cc(Cl)c2)CC1 ZINC001140787624 1131919760 /nfs/dbraw/zinc/91/97/60/1131919760.db2.gz POXXFJVOWRBGKL-CQSZACIVSA-N 0 1 271.763 3.760 20 0 CHADMN Cc1cc(Br)c(F)cc1CN1CC[C@H](C)C1 ZINC001140791493 1131919911 /nfs/dbraw/zinc/91/99/11/1131919911.db2.gz MWHWMWSVFYYRGM-VIFPVBQESA-N 0 1 286.188 3.738 20 0 CHADMN C[C@H]1CCN(Cc2cc(O)cc(Cl)c2)[C@@H](C)C1 ZINC001140794579 1131921719 /nfs/dbraw/zinc/92/17/19/1131921719.db2.gz QTPLBGSOBOEQCN-QWRGUYRKSA-N 0 1 253.773 3.666 20 0 CHADMN Cc1cc(Br)ccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001140818794 1131934867 /nfs/dbraw/zinc/93/48/67/1131934867.db2.gz YOMAEIORXZPNAJ-RISCZKNCSA-N 0 1 280.209 3.742 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1cncs1)CCC2 ZINC000773040379 1131928039 /nfs/dbraw/zinc/92/80/39/1131928039.db2.gz OOMQCGDRBAFOPG-NHYWBVRUSA-N 0 1 288.416 3.880 20 0 CHADMN Cc1cc(Br)ccc1CN1CCC[C@H]2C[C@H]21 ZINC001140818795 1131934612 /nfs/dbraw/zinc/93/46/12/1131934612.db2.gz YOMAEIORXZPNAJ-SMDDNHRTSA-N 0 1 280.209 3.742 20 0 CHADMN C[C@H]1CCC[N@@H+]1Cc1cc(Cl)c([O-])c(Cl)c1 ZINC001140830320 1131939009 /nfs/dbraw/zinc/93/90/09/1131939009.db2.gz ULFBCJJGURZHMB-QMMMGPOBSA-N 0 1 260.164 3.683 20 0 CHADMN C[C@H]1CCC[N@H+]1Cc1cc(Cl)c([O-])c(Cl)c1 ZINC001140830320 1131939012 /nfs/dbraw/zinc/93/90/12/1131939012.db2.gz ULFBCJJGURZHMB-QMMMGPOBSA-N 0 1 260.164 3.683 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cccc(F)n2)s1 ZINC000773084008 1131939408 /nfs/dbraw/zinc/93/94/08/1131939408.db2.gz AONCYCBZBIQLOS-SNVBAGLBSA-N 0 1 264.369 3.695 20 0 CHADMN C[C@H]1CC[C@@H](NCc2cccc(F)n2)c2ccccc21 ZINC000773084156 1131939949 /nfs/dbraw/zinc/93/99/49/1131939949.db2.gz BJVZQCMLSXJNFT-BLLLJJGKSA-N 0 1 270.351 3.949 20 0 CHADMN CCC[C@H](NCc1cccc(F)n1)c1ccc(OC)cc1 ZINC000773088619 1131941133 /nfs/dbraw/zinc/94/11/33/1131941133.db2.gz PQQDSBNFJOMIBW-INIZCTEOSA-N 0 1 288.366 3.860 20 0 CHADMN CC[C@@H]1CC[N@@H+](Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140836353 1131941360 /nfs/dbraw/zinc/94/13/60/1131941360.db2.gz WZNHAYNGVRRQBY-SECBINFHSA-N 0 1 274.191 3.931 20 0 CHADMN Cc1cc(CN2CC=C(c3ccc(Cl)cc3)CC2)n[nH]1 ZINC001203070310 1131941711 /nfs/dbraw/zinc/94/17/11/1131941711.db2.gz OEWKGQFTQYLQJD-UHFFFAOYSA-N 0 1 287.794 3.661 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140834870 1131942079 /nfs/dbraw/zinc/94/20/79/1131942079.db2.gz GJEXFZMVNGLDEV-QMMMGPOBSA-N 0 1 260.164 3.541 20 0 CHADMN [O-]c1c(Cl)cc(C[N@@H+]2CCC[C@@H](CF)C2)cc1Cl ZINC001140834212 1131942375 /nfs/dbraw/zinc/94/23/75/1131942375.db2.gz KOOXGOWDUQOJIA-VIFPVBQESA-N 0 1 292.181 3.881 20 0 CHADMN [O-]c1c(Cl)cc(C[N@H+]2CCC[C@@H](CF)C2)cc1Cl ZINC001140834212 1131942378 /nfs/dbraw/zinc/94/23/78/1131942378.db2.gz KOOXGOWDUQOJIA-VIFPVBQESA-N 0 1 292.181 3.881 20 0 CHADMN Cc1cc(C)cc([C@H](C)NCc2cccc(F)n2)c1 ZINC000773090343 1131944203 /nfs/dbraw/zinc/94/42/03/1131944203.db2.gz SSSZTXRHHSBVNO-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1cccc2c1[C@@H](C)C[C@@H]2NCc1cccc(F)n1 ZINC000773097399 1131945718 /nfs/dbraw/zinc/94/57/18/1131945718.db2.gz SUJSQUYSYWHBHJ-WFASDCNBSA-N 0 1 270.351 3.867 20 0 CHADMN C[C@@H](N[C@@H](c1cccnc1)C1CC1)c1cccnc1Cl ZINC000773115425 1131947532 /nfs/dbraw/zinc/94/75/32/1131947532.db2.gz BNIZQXWUCLISLO-IAQYHMDHSA-N 0 1 287.794 3.932 20 0 CHADMN Cc1c[nH]c(C[N@H+]2Cc3ccccc3[C@@H](C)C2)c1C ZINC001140859255 1131949356 /nfs/dbraw/zinc/94/93/56/1131949356.db2.gz VHGIPPKZZQQPRO-ZDUSSCGKSA-N 0 1 254.377 3.751 20 0 CHADMN Cc1c[nH]c(CN2CCN(c3ccc(C)cc3C)CC2)c1C ZINC001140862406 1131950822 /nfs/dbraw/zinc/95/08/22/1131950822.db2.gz DLMLSGLWNQQDSL-UHFFFAOYSA-N 0 1 297.446 3.571 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](C)c2cncs2)ccc1F ZINC000773132648 1131953684 /nfs/dbraw/zinc/95/36/84/1131953684.db2.gz PQGGJMQHKZYZQD-ZJUUUORDSA-N 0 1 280.368 3.703 20 0 CHADMN C[C@H]1CN(Cc2c(N)cccc2F)Cc2ccccc21 ZINC001140873364 1131954354 /nfs/dbraw/zinc/95/43/54/1131954354.db2.gz WMWUFGNOWPNWMI-LBPRGKRZSA-N 0 1 270.351 3.527 20 0 CHADMN Nc1cccc(F)c1CN1CCC[C@H]1c1ccc(F)cc1 ZINC001140873145 1131954755 /nfs/dbraw/zinc/95/47/55/1131954755.db2.gz VTQAABBIOLLDSN-KRWDZBQOSA-N 0 1 288.341 3.884 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1c(N)cccc1F ZINC001140877936 1131955851 /nfs/dbraw/zinc/95/58/51/1131955851.db2.gz XOHPKYYBNBQBBU-QGZVFWFLSA-N 0 1 272.367 3.991 20 0 CHADMN [O-]c1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c(F)c1F ZINC001140894023 1131958722 /nfs/dbraw/zinc/95/87/22/1131958722.db2.gz OCKYMUXVOMEXIC-AAEUAGOBSA-N 0 1 281.346 3.825 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1ccc([O-])c(F)c1F ZINC001140893981 1131959500 /nfs/dbraw/zinc/95/95/00/1131959500.db2.gz MNAHTEIPTKGTCK-LBPRGKRZSA-N 0 1 269.335 3.825 20 0 CHADMN Cc1cc(CN(Cc2ccccc2)Cc2ccccc2)n[nH]1 ZINC001203076461 1131961992 /nfs/dbraw/zinc/96/19/92/1131961992.db2.gz BWDYZOSYXJYRFH-UHFFFAOYSA-N 0 1 291.398 3.921 20 0 CHADMN C[C@H]1CCCN(Cc2cnccc2C(F)(F)F)CC1 ZINC001140915660 1131963185 /nfs/dbraw/zinc/96/31/85/1131963185.db2.gz PNXOFFFLWLOIRG-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN CSc1ccccc1[C@@H]1CCCN1Cc1cnco1 ZINC001140933742 1131964938 /nfs/dbraw/zinc/96/49/38/1131964938.db2.gz HCLDVMVFPWLROQ-AWEZNQCLSA-N 0 1 274.389 3.734 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H]2CCC[C@H]3CCCC[C@H]32)n1 ZINC000714452853 1131973699 /nfs/dbraw/zinc/97/36/99/1131973699.db2.gz MFSPCWAGRDUCCA-SYQHCUMBSA-N 0 1 277.412 3.799 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2cc(F)c([O-])c(F)c2)cc1 ZINC001140989951 1131980341 /nfs/dbraw/zinc/98/03/41/1131980341.db2.gz HNYAFGVMHNGLER-UHFFFAOYSA-N 0 1 277.314 3.611 20 0 CHADMN FC(F)(F)c1n[nH]cc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC001141015761 1131985772 /nfs/dbraw/zinc/98/57/72/1131985772.db2.gz MVNRPJOQFSSGIA-JQWIXIFHSA-N 0 1 287.329 3.583 20 0 CHADMN Cc1cccc(OC2CCN(Cc3cnccc3C)CC2)c1 ZINC001141036103 1131990052 /nfs/dbraw/zinc/99/00/52/1131990052.db2.gz MBQLQKNWJMYROB-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN Cc1ccc([C@@H](C)Oc2nnc3c[nH]ccc2-3)c(C)c1 ZINC001228990483 1131993288 /nfs/dbraw/zinc/99/32/88/1131993288.db2.gz PSPNDKQAZUMIQX-GFCCVEGCSA-N 0 1 267.332 3.715 20 0 CHADMN CCC[C@H](Oc1nnc2c[nH]ccc1-2)c1ccccc1 ZINC001228990867 1131993526 /nfs/dbraw/zinc/99/35/26/1131993526.db2.gz URPNZYFMRSJMRB-HNNXBMFYSA-N 0 1 267.332 3.878 20 0 CHADMN C[C@H](NCc1ccc(OC(F)F)cc1)c1ccns1 ZINC000715945965 1131998191 /nfs/dbraw/zinc/99/81/91/1131998191.db2.gz VFEGUBVFJDTCAC-VIFPVBQESA-N 0 1 284.331 3.595 20 0 CHADMN CCCCc1ncc(CN2CCC[C@H]2c2ccc(C)nc2)[nH]1 ZINC001141071382 1132003147 /nfs/dbraw/zinc/00/31/47/1132003147.db2.gz MMGYIMYGMSZDDB-KRWDZBQOSA-N 0 1 298.434 3.793 20 0 CHADMN CCCCc1ncc(CN(Cc2ccco2)C2CC2)[nH]1 ZINC001141071089 1132003463 /nfs/dbraw/zinc/00/34/63/1132003463.db2.gz ANFUEAULTGJZMX-UHFFFAOYSA-N 0 1 273.380 3.510 20 0 CHADMN CCCCc1nc(CN2CCC[C@H](c3ccccn3)C2)c[nH]1 ZINC001141071689 1132003985 /nfs/dbraw/zinc/00/39/85/1132003985.db2.gz AOCLOPQATPERRJ-HNNXBMFYSA-N 0 1 298.434 3.527 20 0 CHADMN CCCCc1ncc(CN(C)Cc2cccc(F)c2F)[nH]1 ZINC001141073905 1132006159 /nfs/dbraw/zinc/00/61/59/1132006159.db2.gz OWVIQOYUHKIIIU-UHFFFAOYSA-N 0 1 293.361 3.663 20 0 CHADMN COC(=O)C1(N(CCC2CCCCCC2)C2CC2)CCC1 ZINC001171427052 1132009754 /nfs/dbraw/zinc/00/97/54/1132009754.db2.gz RHJNMQMTZGZNPG-UHFFFAOYSA-N 0 1 293.451 3.907 20 0 CHADMN c1csc(-c2ccccc2CN(C2CC2)C2COC2)c1 ZINC001141096359 1132016237 /nfs/dbraw/zinc/01/62/37/1132016237.db2.gz DDMNABLUZWSTQB-UHFFFAOYSA-N 0 1 285.412 3.778 20 0 CHADMN Cc1[nH]nc(CN[C@@H](C)c2ccc(F)cc2Cl)c1C ZINC000716458738 1132024980 /nfs/dbraw/zinc/02/49/80/1132024980.db2.gz JTNKQVZTMWNTPK-JTQLQIEISA-N 0 1 281.762 3.670 20 0 CHADMN CSc1ccc([C@H](C)NCc2[nH]nc(C)c2C)cc1 ZINC000716457538 1132025793 /nfs/dbraw/zinc/02/57/93/1132025793.db2.gz YULWONWLVGHGCC-LBPRGKRZSA-N 0 1 275.421 3.599 20 0 CHADMN COc1ccc2nccc(CN3CCC[C@@](C)(F)C3)c2c1 ZINC001141146921 1132028828 /nfs/dbraw/zinc/02/88/28/1132028828.db2.gz LPWREHXRPLHXIC-QGZVFWFLSA-N 0 1 288.366 3.567 20 0 CHADMN Cc1ccc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c(F)c1 ZINC001141192431 1132039989 /nfs/dbraw/zinc/03/99/89/1132039989.db2.gz LURSCMMYINMFAV-YPMHNXCESA-N 0 1 269.310 3.611 20 0 CHADMN COc1ccc(C(F)(F)F)cc1CN(C)CCSC ZINC001141205036 1132041342 /nfs/dbraw/zinc/04/13/42/1132041342.db2.gz SNFBCNHJAFWQQP-UHFFFAOYSA-N 0 1 293.354 3.509 20 0 CHADMN COc1ccc(C(F)(F)F)cc1CN1CCCC12CC2 ZINC001141200481 1132041948 /nfs/dbraw/zinc/04/19/48/1132041948.db2.gz UFARXEXWFPVNEM-UHFFFAOYSA-N 0 1 285.309 3.842 20 0 CHADMN COc1cccc(CN(C)CCc2cccc(F)c2)c1F ZINC001141224000 1132047322 /nfs/dbraw/zinc/04/73/22/1132047322.db2.gz WVQXLHYBHHVHSA-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN CCc1ccccc1CN1CCc2ncc(C)cc2C1 ZINC001141228810 1132050990 /nfs/dbraw/zinc/05/09/90/1132050990.db2.gz IRBNGOPFVREBGE-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN C/C(=C\C(C)(C)C)C(=O)Nc1ccc(F)c(F)c1O ZINC000837266699 1132061561 /nfs/dbraw/zinc/06/15/61/1132061561.db2.gz YBSJBNIOQNIESV-BQYQJAHWSA-N 0 1 269.291 3.601 20 0 CHADMN Cc1ccc(CC[C@@H](C)NCc2ncc(Cl)cn2)cc1 ZINC001171660995 1132071257 /nfs/dbraw/zinc/07/12/57/1132071257.db2.gz UTJGBYBLTSJIHM-CYBMUJFWSA-N 0 1 289.810 3.549 20 0 CHADMN COc1cc(F)c(CN2CCC(C(C)C)CC2)cc1OC ZINC001141283021 1132071366 /nfs/dbraw/zinc/07/13/66/1132071366.db2.gz JAVAOBFWZTXGQJ-UHFFFAOYSA-N 0 1 295.398 3.711 20 0 CHADMN CC[C@@H](C(=O)OC(C)(C)C)N(C)CCC(C)(C)CC ZINC001171670459 1132074773 /nfs/dbraw/zinc/07/47/73/1132074773.db2.gz HBUWKSLRRIBGML-ZDUSSCGKSA-N 0 1 271.445 3.865 20 0 CHADMN C[C@H](C(=O)Nc1n[nH]c2cc(O)ccc21)[C@H](C)C(C)(C)C ZINC001141302290 1132076431 /nfs/dbraw/zinc/07/64/31/1132076431.db2.gz XNTCGSNSLVVQOR-UWVGGRQHSA-N 0 1 289.379 3.525 20 0 CHADMN CCCc1ccc(CN2C[C@H](C)OCC23CCC3)cc1 ZINC001171730480 1132087048 /nfs/dbraw/zinc/08/70/48/1132087048.db2.gz WBPMBVPJQKKERF-HNNXBMFYSA-N 0 1 273.420 3.783 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(F)cc2C)[C@@H](CC)CO1 ZINC001171779110 1132096859 /nfs/dbraw/zinc/09/68/59/1132096859.db2.gz SBGSAZAAGIEKJR-JKSUJKDBSA-N 0 1 265.372 3.524 20 0 CHADMN COc1ccc2cc(CN3CCC[C@H]3C)c(Cl)nc2c1 ZINC000037910705 1132097418 /nfs/dbraw/zinc/09/74/18/1132097418.db2.gz RFCBCSRKKNKIJO-LLVKDONJSA-N 0 1 290.794 3.881 20 0 CHADMN C[C@@H]1CC[N@H+]1Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001141350450 1132097434 /nfs/dbraw/zinc/09/74/34/1132097434.db2.gz DXCZIAYUXMKPCC-CYBMUJFWSA-N 0 1 281.355 3.646 20 0 CHADMN Fc1cccc2c1C[C@@H](N1CCC[C@@H]1c1nccs1)C2 ZINC001171806982 1132103485 /nfs/dbraw/zinc/10/34/85/1132103485.db2.gz MUMVDXPISFHBBE-SWLSCSKDSA-N 0 1 288.391 3.587 20 0 CHADMN CN(Cc1nc2ccccc2o1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171807002 1132103994 /nfs/dbraw/zinc/10/39/94/1132103994.db2.gz NEIMIKPOIVYBLC-CYBMUJFWSA-N 0 1 296.345 3.566 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc1F ZINC000228136972 1132108365 /nfs/dbraw/zinc/10/83/65/1132108365.db2.gz TWTVXLPMIYDCHG-SWLSCSKDSA-N 0 1 281.346 3.825 20 0 CHADMN COc1ccc2nc(O[C@H]3CCc4cc(C)ccc43)[nH]c2c1 ZINC001229727228 1132111153 /nfs/dbraw/zinc/11/11/53/1132111153.db2.gz ODENIUYTKPTKBS-KRWDZBQOSA-N 0 1 294.354 3.946 20 0 CHADMN Cc1coc(CN[C@@H](C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC001171957926 1132111279 /nfs/dbraw/zinc/11/12/79/1132111279.db2.gz HUPXTAHBZQPDAS-JTQLQIEISA-N 0 1 298.308 3.723 20 0 CHADMN C[C@H](Cc1ccc(C(F)(F)F)cc1)N1CCOCC12CC2 ZINC001171967124 1132112822 /nfs/dbraw/zinc/11/28/22/1132112822.db2.gz RHLJGIUDPCYCDC-GFCCVEGCSA-N 0 1 299.336 3.501 20 0 CHADMN COc1ccc(CN2CC[C@@H](C)C[C@H]2C)c(OC)c1Cl ZINC001248799449 1132116286 /nfs/dbraw/zinc/11/62/86/1132116286.db2.gz DLFAPEQTTSPSIL-VXGBXAGGSA-N 0 1 297.826 3.978 20 0 CHADMN CC1(C)C[C@@H](N[C@H]2C=CC[CH]2)CC[N@H+]1Cc1ccccc1 ZINC001171977683 1132120280 /nfs/dbraw/zinc/12/02/80/1132120280.db2.gz GFZJILGSHXMNMD-ROUUACIJSA-N 0 1 283.439 3.552 20 0 CHADMN CC1(C)C[C@@H]([NH2+][C@H]2C=CC[CH]2)CCN1Cc1ccccc1 ZINC001171977683 1132120305 /nfs/dbraw/zinc/12/03/05/1132120305.db2.gz GFZJILGSHXMNMD-ROUUACIJSA-N 0 1 283.439 3.552 20 0 CHADMN Cc1cccc2sc(OC3CCN(C4CC4)CC3)nc21 ZINC001229928423 1132132762 /nfs/dbraw/zinc/13/27/62/1132132762.db2.gz ATCOUSBSJCFUJS-UHFFFAOYSA-N 0 1 288.416 3.610 20 0 CHADMN Clc1cccnc1CN[C@H]1CSc2ccccc2C1 ZINC001172184081 1132136410 /nfs/dbraw/zinc/13/64/10/1132136410.db2.gz JEPKARNBRVUVME-GFCCVEGCSA-N 0 1 290.819 3.542 20 0 CHADMN CCc1ccc(CN(C)C[C@@H]2CC2(Cl)Cl)cc1 ZINC000838479234 1132138283 /nfs/dbraw/zinc/13/82/83/1132138283.db2.gz HECPHDXDVKWIOV-ZDUSSCGKSA-N 0 1 272.219 3.875 20 0 CHADMN C[C@@H]1c2ccsc2CCN1C[C@H]1CC1(Cl)Cl ZINC000838548023 1132140905 /nfs/dbraw/zinc/14/09/05/1132140905.db2.gz JEEYLCYYJXTLKG-RKDXNWHRSA-N 0 1 276.232 3.861 20 0 CHADMN CCCc1[nH]ncc1C(=O)N(C)c1ccc2ccccc2c1 ZINC000122132179 1132143159 /nfs/dbraw/zinc/14/31/59/1132143159.db2.gz CASZQWVVJSBCLU-UHFFFAOYSA-N 0 1 293.370 3.792 20 0 CHADMN C[C@@H](Oc1nc[nH]c(=O)c1Cl)c1cccc(Cl)c1 ZINC001230018026 1132145427 /nfs/dbraw/zinc/14/54/27/1132145427.db2.gz LUUHBYQGEAKIFZ-SSDOTTSWSA-N 0 1 285.130 3.629 20 0 CHADMN CC[C@@H](Oc1nc[nH]c(=O)c1Cl)c1cccc(F)c1C ZINC001230015837 1132145675 /nfs/dbraw/zinc/14/56/75/1132145675.db2.gz DFDQAQVCMNDTPK-LLVKDONJSA-N 0 1 296.729 3.813 20 0 CHADMN CCCCN(C(=O)CN(CC)C1CC1)[C@@H]1CCC[C@H](C)C1 ZINC001141522693 1132148579 /nfs/dbraw/zinc/14/85/79/1132148579.db2.gz PSMKUPBXRIKIBT-DOTOQJQBSA-N 0 1 294.483 3.678 20 0 CHADMN CCCCCCc1c(O)cccc1O[C@@H]1CC[N@@H+](C)C1 ZINC001230180341 1132157998 /nfs/dbraw/zinc/15/79/98/1132157998.db2.gz HOCRSFLWHJOVQN-CQSZACIVSA-N 0 1 277.408 3.598 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@@H](C)c1cccnc1F ZINC001230225035 1132162459 /nfs/dbraw/zinc/16/24/59/1132162459.db2.gz GCWQSHGNQAZIMN-JTQLQIEISA-N 0 1 271.295 3.545 20 0 CHADMN Cc1ccc(CN2CCC[C@]3(CCSC3)C2)c(Cl)n1 ZINC000839029781 1132168792 /nfs/dbraw/zinc/16/87/92/1132168792.db2.gz QHFLTWPXTSCMTL-HNNXBMFYSA-N 0 1 296.867 3.763 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)N1CCc2ncc(Cl)cc2C1 ZINC001172348753 1132181629 /nfs/dbraw/zinc/18/16/29/1132181629.db2.gz QXLXVXFYUJNBGB-OLZOCXBDSA-N 0 1 296.842 3.687 20 0 CHADMN C[C@H]1CN(Cc2c[nH]c3cc(Cl)ccc23)CCCC1=O ZINC001141577841 1132186525 /nfs/dbraw/zinc/18/65/25/1132186525.db2.gz VCKPTLREQDTTSO-NSHDSACASA-N 0 1 290.794 3.622 20 0 CHADMN CCCCCC[C@@H](CCC)n1nc(COC)c2c1CNC2 ZINC001172387142 1132212662 /nfs/dbraw/zinc/21/26/62/1132212662.db2.gz INQMHBUJSSAEOP-CQSZACIVSA-N 0 1 293.455 3.944 20 0 CHADMN C[C@@]1(CF)CC[N@@H+](Cc2cc3cccnc3cc2F)C1 ZINC001141623885 1132213851 /nfs/dbraw/zinc/21/38/51/1132213851.db2.gz WMXLXSGOAHVUPB-INIZCTEOSA-N 0 1 276.330 3.555 20 0 CHADMN CC1CCN(Cc2cccc(C(=O)C(F)(F)F)c2)CC1 ZINC000839465653 1132216262 /nfs/dbraw/zinc/21/62/62/1132216262.db2.gz ZIILPDJWQNEUMT-UHFFFAOYSA-N 0 1 285.309 3.664 20 0 CHADMN CCOC(=O)C1(N[C@@H](CC)CC(C)C)CCCCC1 ZINC001172393968 1132217615 /nfs/dbraw/zinc/21/76/15/1132217615.db2.gz MKSTZJAHNQFXSP-AWEZNQCLSA-N 0 1 269.429 3.667 20 0 CHADMN CCN(Cc1ccncc1)Cc1ccc2cc(F)ccc2n1 ZINC001141637006 1132218011 /nfs/dbraw/zinc/21/80/11/1132218011.db2.gz LEEPZVBNHGVERZ-UHFFFAOYSA-N 0 1 295.361 3.791 20 0 CHADMN CN(Cc1cccc(O)c1)Cc1ccc2cc(F)ccc2n1 ZINC001141640364 1132220149 /nfs/dbraw/zinc/22/01/49/1132220149.db2.gz XBHQQPOCPUNUON-UHFFFAOYSA-N 0 1 296.345 3.712 20 0 CHADMN Cc1ccc2c(c1)nc(=O)[nH]c2O[C@H](C)c1cccs1 ZINC001230886808 1132223420 /nfs/dbraw/zinc/22/34/20/1132223420.db2.gz SPFBQCYFNOQLLP-SNVBAGLBSA-N 0 1 286.356 3.845 20 0 CHADMN COc1ccccc1[C@H](C)Oc1cc2[nH]ncc2c(F)c1 ZINC001230931433 1132230848 /nfs/dbraw/zinc/23/08/48/1132230848.db2.gz NVURUAPZBILIPJ-JTQLQIEISA-N 0 1 286.306 3.851 20 0 CHADMN C[C@H](Cc1ccccc1)Oc1cc2[nH]ncc2c(F)c1 ZINC001230931122 1132231128 /nfs/dbraw/zinc/23/11/28/1132231128.db2.gz LBFDZCSMBGNVKQ-LLVKDONJSA-N 0 1 270.307 3.712 20 0 CHADMN CC(C)COCC[C@@H](C)N[C@H]1CCCCC1(F)F ZINC001172460230 1132241596 /nfs/dbraw/zinc/24/15/96/1132241596.db2.gz PTRRBUBHGKLVHD-OLZOCXBDSA-N 0 1 263.372 3.605 20 0 CHADMN Fc1ccc2occ(C[N@H+]3CC[C@H]4CCCO[C@H]4C3)c2c1 ZINC001141849224 1132255761 /nfs/dbraw/zinc/25/57/61/1132255761.db2.gz XWRXUAHCQMXULQ-PXAZEXFGSA-N 0 1 289.350 3.573 20 0 CHADMN Fc1ccc2occ(CN3CC[C@H]4CCCO[C@H]4C3)c2c1 ZINC001141849224 1132255766 /nfs/dbraw/zinc/25/57/66/1132255766.db2.gz XWRXUAHCQMXULQ-PXAZEXFGSA-N 0 1 289.350 3.573 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2cc3n(n2)CCC3)s1 ZINC000840717305 1132275742 /nfs/dbraw/zinc/27/57/42/1132275742.db2.gz FOVARBGGYFSJKD-NEPJUHHUSA-N 0 1 275.421 3.611 20 0 CHADMN Cn1cc2c(n1)CCN([C@H]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001172545524 1132278247 /nfs/dbraw/zinc/27/82/47/1132278247.db2.gz AIBXTOYEXREIGP-AEFFLSMTSA-N 0 1 295.430 3.505 20 0 CHADMN CC1(C)CC(N2CCCCC(F)(F)C2)CC(C)(C)O1 ZINC001172655328 1132289615 /nfs/dbraw/zinc/28/96/15/1132289615.db2.gz UAZXKRMBYPAIOL-UHFFFAOYSA-N 0 1 275.383 3.844 20 0 CHADMN CC1(C)CC(N2CCC[C@@H](F)C(F)(F)C2)CC(C)(C)O1 ZINC001172654874 1132289868 /nfs/dbraw/zinc/28/98/68/1132289868.db2.gz LDUGDMGNFLXPNW-GFCCVEGCSA-N 0 1 293.373 3.792 20 0 CHADMN Cc1n[nH]cc1-c1nc(-c2ccc(F)c(C)c2Cl)no1 ZINC001212677884 1132292981 /nfs/dbraw/zinc/29/29/81/1132292981.db2.gz VORCOWWXXCJFJI-UHFFFAOYSA-N 0 1 292.701 3.536 20 0 CHADMN CN(C)c1ccc2cc(CN3CCOC(C)(C)C3)ccc2c1 ZINC001231439170 1132294024 /nfs/dbraw/zinc/29/40/24/1132294024.db2.gz KPGMDWKJKCQBRI-UHFFFAOYSA-N 0 1 298.430 3.517 20 0 CHADMN CN(C)c1ccc2cc(CN3C[C@@H]4C[C@@H]4[C@H](F)C3)ccc2c1 ZINC001231439128 1132294785 /nfs/dbraw/zinc/29/47/85/1132294785.db2.gz JZDWRNCBNXYUQP-YTQUADARSA-N 0 1 298.405 3.696 20 0 CHADMN CC[C@H]1COCCN1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001231442387 1132295333 /nfs/dbraw/zinc/29/53/33/1132295333.db2.gz MGRWBCQYHNFSAZ-SFHVURJKSA-N 0 1 298.430 3.517 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccc(F)cc1 ZINC001231466851 1132295489 /nfs/dbraw/zinc/29/54/89/1132295489.db2.gz LMEGOGWJWSALCI-UHFFFAOYSA-N 0 1 293.363 3.608 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC3(CC(F)C3)CC2)s1 ZINC001231466487 1132297332 /nfs/dbraw/zinc/29/73/32/1132297332.db2.gz HKAZWZXLQIPADJ-UHFFFAOYSA-N 0 1 297.395 3.551 20 0 CHADMN Cc1cccc(-c2n[nH]cc2CNc2nccn2C2CC2)c1 ZINC000840886819 1132302183 /nfs/dbraw/zinc/30/21/83/1132302183.db2.gz DTSWKDQCKNFGEF-UHFFFAOYSA-N 0 1 293.374 3.529 20 0 CHADMN CCN(c1ccc(NCc2ccc(C)nn2)cc1)C(C)C ZINC000840881903 1132303336 /nfs/dbraw/zinc/30/33/36/1132303336.db2.gz GDIHZMNJXMOOKV-UHFFFAOYSA-N 0 1 284.407 3.632 20 0 CHADMN CCc1ccc(CN2CCc3cc(OC)ccc3C2)s1 ZINC001231498648 1132306570 /nfs/dbraw/zinc/30/65/70/1132306570.db2.gz COZGIWXEOFRKML-UHFFFAOYSA-N 0 1 287.428 3.877 20 0 CHADMN Cc1c(C)c(C)c(CN(C)Cc2cncnc2)c(C)c1C ZINC001231494983 1132307116 /nfs/dbraw/zinc/30/71/16/1132307116.db2.gz WABZIQHBIJQRBA-UHFFFAOYSA-N 0 1 283.419 3.651 20 0 CHADMN CSc1ccccc1[C@H]1CCCN1Cc1cnc(C)nc1 ZINC001203116784 1132309550 /nfs/dbraw/zinc/30/95/50/1132309550.db2.gz QGUUHJYNIBNQJZ-MRXNPFEDSA-N 0 1 299.443 3.844 20 0 CHADMN CCN(Cc1ccccc1)Cc1ccc(OC(C)C)nc1 ZINC001231534691 1132316084 /nfs/dbraw/zinc/31/60/84/1132316084.db2.gz NAOMWKQWPZSKKC-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN C[C@@H](Cc1c(F)cccc1Cl)NCc1cscn1 ZINC001172837878 1132316262 /nfs/dbraw/zinc/31/62/62/1132316262.db2.gz QDCATWOWVCFZIX-VIFPVBQESA-N 0 1 284.787 3.656 20 0 CHADMN Cn1ncc2c1CN(C1CCC(Cc3ccccc3)CC1)C2 ZINC001172822397 1132320464 /nfs/dbraw/zinc/32/04/64/1132320464.db2.gz MSCKWAWQMUJLMN-UHFFFAOYSA-N 0 1 295.430 3.537 20 0 CHADMN COc1ccc(Cl)cc1CNCc1cc(C)cc(N)c1 ZINC000841070760 1132325081 /nfs/dbraw/zinc/32/50/81/1132325081.db2.gz JEOWFGWAHUWNHM-UHFFFAOYSA-N 0 1 290.794 3.529 20 0 CHADMN CCc1ccc(CN2CCC[C@H]2c2ccc(C)nc2)nc1 ZINC001231642136 1132330364 /nfs/dbraw/zinc/33/03/64/1132330364.db2.gz RKGMFWGTAZDDEQ-SFHVURJKSA-N 0 1 281.403 3.685 20 0 CHADMN CCc1ccc(CN2CCC[C@@H]2c2ccc(C)nc2)nc1 ZINC001231642135 1132332024 /nfs/dbraw/zinc/33/20/24/1132332024.db2.gz RKGMFWGTAZDDEQ-GOSISDBHSA-N 0 1 281.403 3.685 20 0 CHADMN Cc1sc2ccccc2c1CN1CCCC12COC2 ZINC001231644610 1132333241 /nfs/dbraw/zinc/33/32/41/1132333241.db2.gz ZVRRKAHJLCTEKW-UHFFFAOYSA-N 0 1 273.401 3.575 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)N1CC2(C1)CCCOC2 ZINC001172847788 1132337276 /nfs/dbraw/zinc/33/72/76/1132337276.db2.gz PRWZQMDMHMHFER-GFCCVEGCSA-N 0 1 297.801 3.523 20 0 CHADMN C[C@@H]1CC[N@H+]1Cc1ccccc1-c1ccccc1C(=O)[O-] ZINC001231675397 1132345161 /nfs/dbraw/zinc/34/51/61/1132345161.db2.gz JIVIWWMLACIKHV-CYBMUJFWSA-N 0 1 281.355 3.646 20 0 CHADMN COc1cc(Cl)c(CN2CCC[C@@H](C)[C@@H]2C)c(OC)c1 ZINC001231697190 1132346304 /nfs/dbraw/zinc/34/63/04/1132346304.db2.gz QBWOQMMRICTYJI-NEPJUHHUSA-N 0 1 297.826 3.978 20 0 CHADMN Oc1cc(C[N@H+]2CCC23CCCC3)ccc1Cl ZINC001231730424 1132346963 /nfs/dbraw/zinc/34/69/63/1132346963.db2.gz DLPQEDCXIRCKNJ-UHFFFAOYSA-N 0 1 251.757 3.564 20 0 CHADMN [O-]c1cc(C[N@@H+]2CCC23CCCC3)ccc1Cl ZINC001231730424 1132346968 /nfs/dbraw/zinc/34/69/68/1132346968.db2.gz DLPQEDCXIRCKNJ-UHFFFAOYSA-N 0 1 251.757 3.564 20 0 CHADMN [O-]c1cc(C[N@H+]2CCC23CCCC3)ccc1Cl ZINC001231730424 1132346976 /nfs/dbraw/zinc/34/69/76/1132346976.db2.gz DLPQEDCXIRCKNJ-UHFFFAOYSA-N 0 1 251.757 3.564 20 0 CHADMN Oc1cc(CN2CCC23CCCC3)ccc1Cl ZINC001231730424 1132346980 /nfs/dbraw/zinc/34/69/80/1132346980.db2.gz DLPQEDCXIRCKNJ-UHFFFAOYSA-N 0 1 251.757 3.564 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)N(C)Cc1cncs1 ZINC001172863581 1132347864 /nfs/dbraw/zinc/34/78/64/1132347864.db2.gz XMZGIMLBLZRYOD-SNVBAGLBSA-N 0 1 298.814 3.999 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(O)c2)[C@H]1C ZINC001231734416 1132349102 /nfs/dbraw/zinc/34/91/02/1132349102.db2.gz YJILAZRQPAISSR-MNOVXSKESA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([O-])c2)[C@H]1C ZINC001231734416 1132349110 /nfs/dbraw/zinc/34/91/10/1132349110.db2.gz YJILAZRQPAISSR-MNOVXSKESA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([O-])c2)[C@H]1C ZINC001231734416 1132349115 /nfs/dbraw/zinc/34/91/15/1132349115.db2.gz YJILAZRQPAISSR-MNOVXSKESA-N 0 1 253.773 3.666 20 0 CHADMN CC(C)(C)c1nc[nH]c1CN1CC=C(c2ccccc2)CC1 ZINC001142230639 1132349413 /nfs/dbraw/zinc/34/94/13/1132349413.db2.gz MQGOVDVYVKRGOI-UHFFFAOYSA-N 0 1 295.430 3.997 20 0 CHADMN CN(Cc1ccc(F)cc1)Cc1ccc(Cl)c(O)c1 ZINC001231733281 1132350683 /nfs/dbraw/zinc/35/06/83/1132350683.db2.gz QFWJVPOCUSECJD-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN C[C@@H](CSc1ccc(Cl)cc1)NC1(CF)CC1 ZINC001172870943 1132350733 /nfs/dbraw/zinc/35/07/33/1132350733.db2.gz NDMBTKXYMQUBST-JTQLQIEISA-N 0 1 273.804 3.912 20 0 CHADMN [O-]c1cc(C[NH+]2CCCCCCC2)ccc1Cl ZINC001231734186 1132351994 /nfs/dbraw/zinc/35/19/94/1132351994.db2.gz QZCXLMVBDYIEKI-UHFFFAOYSA-N 0 1 253.773 3.812 20 0 CHADMN CCC[N@@H+](Cc1ccc(Cl)c([O-])c1)CC1CC1 ZINC001231733097 1132352184 /nfs/dbraw/zinc/35/21/84/1132352184.db2.gz MNACJPFVAVNSRN-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN CCC[N@H+](Cc1ccc(Cl)c([O-])c1)CC1CC1 ZINC001231733097 1132352189 /nfs/dbraw/zinc/35/21/89/1132352189.db2.gz MNACJPFVAVNSRN-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN CC(C)O[C@H]1CC[N@H+]([C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172872692 1132352966 /nfs/dbraw/zinc/35/29/66/1132352966.db2.gz NYWVUNWEBKORLV-WFASDCNBSA-N 0 1 299.817 3.909 20 0 CHADMN C[C@@H](CSc1ccc(Cl)cc1)N(C)CCF ZINC001172884580 1132357484 /nfs/dbraw/zinc/35/74/84/1132357484.db2.gz FANLRSVUCUMXIP-JTQLQIEISA-N 0 1 261.793 3.722 20 0 CHADMN CC(C)Sc1nc2sccn2c1C[N@H+]1CCC[C@H]1C ZINC001231774463 1132358302 /nfs/dbraw/zinc/35/83/02/1132358302.db2.gz RSUVWUOVEDBTRF-LLVKDONJSA-N 0 1 295.477 3.881 20 0 CHADMN CC(C)Sc1nc2sccn2c1CN1CCC[C@H]1C ZINC001231774463 1132358308 /nfs/dbraw/zinc/35/83/08/1132358308.db2.gz RSUVWUOVEDBTRF-LLVKDONJSA-N 0 1 295.477 3.881 20 0 CHADMN Cc1ccc(-c2ccc(CN3CCO[C@@H](C)C3)cc2)cc1 ZINC001142300430 1132362781 /nfs/dbraw/zinc/36/27/81/1132362781.db2.gz IFRVCXLTSZBLMF-INIZCTEOSA-N 0 1 281.399 3.883 20 0 CHADMN Cc1nc(-c2ccccc2)ncc1CN1CC2(C1)CCCC2 ZINC001231795966 1132365846 /nfs/dbraw/zinc/36/58/46/1132365846.db2.gz JDPYVXHOLZMHFO-UHFFFAOYSA-N 0 1 293.414 3.828 20 0 CHADMN Cc1ccccc1-c1ccccc1CN1C[C@@H](F)C[C@H]1CO ZINC001231811712 1132370061 /nfs/dbraw/zinc/37/00/61/1132370061.db2.gz CHBAZDHKRLAOAT-IRXDYDNUSA-N 0 1 299.389 3.567 20 0 CHADMN CO[C@@H]1CN(Cc2ccccc2-c2ccccc2)C[C@@H]1F ZINC001142331148 1132370265 /nfs/dbraw/zinc/37/02/65/1132370265.db2.gz KPENLUCBUANWKD-ZWKOTPCHSA-N 0 1 285.362 3.522 20 0 CHADMN Cc1ccccc1-c1ccccc1CN1CCOC[C@@H]1C ZINC001231811797 1132370374 /nfs/dbraw/zinc/37/03/74/1132370374.db2.gz DKWHFPUVJQLEFQ-INIZCTEOSA-N 0 1 281.399 3.883 20 0 CHADMN CCCc1ccc(CN2CCC[C@H]2c2cnccn2)cc1 ZINC001142364309 1132374423 /nfs/dbraw/zinc/37/44/23/1132374423.db2.gz PZWWPRVIYYULAD-SFHVURJKSA-N 0 1 281.403 3.766 20 0 CHADMN C[C@H]1COCCN1Cc1ccccc1-c1ccc(F)cc1 ZINC001231821796 1132374750 /nfs/dbraw/zinc/37/47/50/1132374750.db2.gz DVDYTNIUUKQUFM-AWEZNQCLSA-N 0 1 285.362 3.713 20 0 CHADMN CCCc1ccc(CN2CCc3occc3C2)cc1 ZINC001142367407 1132375379 /nfs/dbraw/zinc/37/53/79/1132375379.db2.gz NEJLINUOUATMJI-UHFFFAOYSA-N 0 1 255.361 3.790 20 0 CHADMN Cc1ccc2ccccc2c1CN1CC2(C1)CCCO2 ZINC001142371797 1132377935 /nfs/dbraw/zinc/37/79/35/1132377935.db2.gz FKBSJXQQTBCHFB-UHFFFAOYSA-N 0 1 267.372 3.513 20 0 CHADMN CC(C)c1ccccc1CN1CCCCC12COC2 ZINC001231876618 1132387150 /nfs/dbraw/zinc/38/71/50/1132387150.db2.gz MBXFVNBDIGGTIP-UHFFFAOYSA-N 0 1 259.393 3.565 20 0 CHADMN CC(C)c1ccccc1CN1CCC(=O)[C@@H](C)CC1 ZINC001231874638 1132387311 /nfs/dbraw/zinc/38/73/11/1132387311.db2.gz UZBKPAGVSFHKQS-AWEZNQCLSA-N 0 1 259.393 3.611 20 0 CHADMN C[C@]1(F)CCCN(Cc2ccnc(C(F)F)c2)CC1 ZINC001231887793 1132395099 /nfs/dbraw/zinc/39/50/99/1132395099.db2.gz XTPZAYKEAGYQSO-AWEZNQCLSA-N 0 1 272.314 3.733 20 0 CHADMN O=C1N[C@H](NC2CCC3(CCCCC3)CC2)c2ccccc21 ZINC001173115441 1132396010 /nfs/dbraw/zinc/39/60/10/1132396010.db2.gz ATNJYLXVIUSFHI-KRWDZBQOSA-N 0 1 298.430 3.911 20 0 CHADMN O=C1SCC[C@@H]1NC1CCC2(CCCCC2)CC1 ZINC001173115289 1132396194 /nfs/dbraw/zinc/39/61/94/1132396194.db2.gz SPNAXNRBYDYFDN-ZDUSSCGKSA-N 0 1 267.438 3.501 20 0 CHADMN Cc1cc(CN2CCSC[C@@H]2C2CCC2)cnc1Cl ZINC000841893398 1132401671 /nfs/dbraw/zinc/40/16/71/1132401671.db2.gz JSSRPRSJBUGONP-CQSZACIVSA-N 0 1 296.867 3.761 20 0 CHADMN FC(F)(F)c1cccnc1CN1CC[C@@H]2CCC[C@@H]2C1 ZINC001231962364 1132403143 /nfs/dbraw/zinc/40/31/43/1132403143.db2.gz DDNJQXWMLMVTRY-NWDGAFQWSA-N 0 1 284.325 3.722 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1cc(OC)ccn1 ZINC001231968209 1132403759 /nfs/dbraw/zinc/40/37/59/1132403759.db2.gz LYSBEEURWYXPGV-KRWDZBQOSA-N 0 1 270.376 3.673 20 0 CHADMN Fc1ncc(Cl)cc1CN1CCC[C@@H]2CCC[C@H]21 ZINC001231994097 1132406759 /nfs/dbraw/zinc/40/67/59/1132406759.db2.gz BNABFFFTXOCFPN-GXFFZTMASA-N 0 1 268.763 3.639 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1cc(C)nc(C)c1 ZINC001232001190 1132409111 /nfs/dbraw/zinc/40/91/11/1132409111.db2.gz NOAAPTRDALSYTN-HNNXBMFYSA-N 0 1 284.403 3.900 20 0 CHADMN COc1cccc2[nH]cc(CN3CCCC[C@@H](F)C3)c21 ZINC001232033980 1132412576 /nfs/dbraw/zinc/41/25/76/1132412576.db2.gz GWQODWZBYCCDQC-CYBMUJFWSA-N 0 1 276.355 3.501 20 0 CHADMN CCCCC[N@@H+](C)Cc1ncc(Br)cc1C ZINC001232044902 1132414174 /nfs/dbraw/zinc/41/41/74/1132414174.db2.gz MOVWDZCMEVQBEY-UHFFFAOYSA-N 0 1 285.229 3.775 20 0 CHADMN FC(F)(F)c1cccc(CN2CC[C@H]3CCC[C@@H]3C2)n1 ZINC001232068895 1132415989 /nfs/dbraw/zinc/41/59/89/1132415989.db2.gz JMOFJOSAVQYFGO-VXGBXAGGSA-N 0 1 284.325 3.722 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2cccc(C(F)(F)F)n2)C1 ZINC001232072058 1132418210 /nfs/dbraw/zinc/41/82/10/1132418210.db2.gz YJVDDUMAUMLTMF-QWRGUYRKSA-N 0 1 272.314 3.578 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC001232071362 1132418993 /nfs/dbraw/zinc/41/89/93/1132418993.db2.gz FRDGAIWTTOGDBT-MNOVXSKESA-N 0 1 272.314 3.721 20 0 CHADMN CCC(CC)[N@@H+](C)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142662814 1132420759 /nfs/dbraw/zinc/42/07/59/1132420759.db2.gz BLIQYSHOHWYCQR-UHFFFAOYSA-N 0 1 269.772 3.659 20 0 CHADMN CCc1ccc(C[C@H](C)N2CC[C@](C)(F)[C@H](F)C2)cc1 ZINC001173251464 1132421640 /nfs/dbraw/zinc/42/16/40/1132421640.db2.gz BGGNBDNVDDPBNR-XKQJLSEDSA-N 0 1 281.390 3.952 20 0 CHADMN CC1(C)CN(Cc2cc3ccncc3[nH]2)Cc2ccccc21 ZINC001232096189 1132422655 /nfs/dbraw/zinc/42/26/55/1132422655.db2.gz YFELNRASEPVSBR-UHFFFAOYSA-N 0 1 291.398 3.856 20 0 CHADMN CCCC[C@H](CC(C)C)N[C@H]1NC(=O)c2ccccc21 ZINC001173253539 1132422940 /nfs/dbraw/zinc/42/29/40/1132422940.db2.gz PWVZMUJPNDZARG-CJNGLKHVSA-N 0 1 274.408 3.623 20 0 CHADMN CCC[N@@H+](Cc1ncccc1Br)[C@@H](C)CC ZINC001232163911 1132429567 /nfs/dbraw/zinc/42/95/67/1132429567.db2.gz KWHJWIKTKYSYAH-NSHDSACASA-N 0 1 285.229 3.855 20 0 CHADMN CCCN(Cc1ncccc1Br)[C@@H](C)CC ZINC001232163911 1132429572 /nfs/dbraw/zinc/42/95/72/1132429572.db2.gz KWHJWIKTKYSYAH-NSHDSACASA-N 0 1 285.229 3.855 20 0 CHADMN CCC(CC)[N@@H+](CC)Cc1ncccc1Br ZINC001232165866 1132430199 /nfs/dbraw/zinc/43/01/99/1132430199.db2.gz OGMPRYHLLCNRJT-UHFFFAOYSA-N 0 1 285.229 3.855 20 0 CHADMN CCC(CC)N(CC)Cc1ncccc1Br ZINC001232165866 1132430201 /nfs/dbraw/zinc/43/02/01/1132430201.db2.gz OGMPRYHLLCNRJT-UHFFFAOYSA-N 0 1 285.229 3.855 20 0 CHADMN CC[C@@H]1CC[C@H](NC2(c3cccc(Cl)c3)COC2)C1 ZINC001173265256 1132431499 /nfs/dbraw/zinc/43/14/99/1132431499.db2.gz HVHZGBHMDDXLAI-DOMZBBRYSA-N 0 1 279.811 3.734 20 0 CHADMN Cn1cc(CN2Cc3ccccc3C(C)(C)C2)c(C2CC2)n1 ZINC001232172856 1132432583 /nfs/dbraw/zinc/43/25/83/1132432583.db2.gz FKONJWKPCFXCFW-UHFFFAOYSA-N 0 1 295.430 3.591 20 0 CHADMN CC[C@@H]1CC[C@@H](n2c3cc(Cl)ccc3nc2CN)C1 ZINC001173266183 1132432907 /nfs/dbraw/zinc/43/29/07/1132432907.db2.gz XYBYPUMFUCOOFW-ZYHUDNBSSA-N 0 1 277.799 3.900 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2Cc2ccns2)cc1 ZINC001232193189 1132433127 /nfs/dbraw/zinc/43/31/27/1132433127.db2.gz UJKCMURSEFHHMF-OAHLLOKOSA-N 0 1 258.390 3.789 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2ccns2)cc1 ZINC001232193189 1132433130 /nfs/dbraw/zinc/43/31/30/1132433130.db2.gz UJKCMURSEFHHMF-OAHLLOKOSA-N 0 1 258.390 3.789 20 0 CHADMN CC(C)(C)[N@@H+](Cc1ccns1)Cc1ccccc1 ZINC001232190337 1132433265 /nfs/dbraw/zinc/43/32/65/1132433265.db2.gz VNLZCQCDVCYNAG-UHFFFAOYSA-N 0 1 260.406 3.944 20 0 CHADMN CC(C)(C)N(Cc1ccns1)Cc1ccccc1 ZINC001232190337 1132433267 /nfs/dbraw/zinc/43/32/67/1132433267.db2.gz VNLZCQCDVCYNAG-UHFFFAOYSA-N 0 1 260.406 3.944 20 0 CHADMN c1cc(CN2CCC(c3nc4ccccc4o3)CC2)sn1 ZINC001232188118 1132434145 /nfs/dbraw/zinc/43/41/45/1132434145.db2.gz BHASBMXUHVFSQA-UHFFFAOYSA-N 0 1 299.399 3.664 20 0 CHADMN Cc1scnc1CN1CC[C@@H](c2ccc(F)cc2)C1 ZINC001232206921 1132435997 /nfs/dbraw/zinc/43/59/97/1132435997.db2.gz QIVQDRDYWSUNRD-CYBMUJFWSA-N 0 1 276.380 3.580 20 0 CHADMN Fc1cccc2c(CN3CC4(C3)CCCC4)ccnc12 ZINC001232210979 1132436771 /nfs/dbraw/zinc/43/67/71/1132436771.db2.gz WVRHCNZHRCHPDN-UHFFFAOYSA-N 0 1 270.351 3.750 20 0 CHADMN CCc1ccc(C[C@H](C)N2Cc3ccncc3C2)cc1 ZINC001173242280 1132440980 /nfs/dbraw/zinc/44/09/80/1132440980.db2.gz DYYAXEASNULKRC-AWEZNQCLSA-N 0 1 266.388 3.591 20 0 CHADMN F[C@@H]1CCCCN(Cc2cccn2Cc2ccccc2)C1 ZINC001232232124 1132441071 /nfs/dbraw/zinc/44/10/71/1132441071.db2.gz LBIHEMOYZFTLBG-QGZVFWFLSA-N 0 1 286.394 3.860 20 0 CHADMN CC[C@@H](C)c1ccc(-c2nc(C3(N)CCC3)no2)cc1 ZINC000842619049 1132443545 /nfs/dbraw/zinc/44/35/45/1132443545.db2.gz XMCSGDTUXYYQIA-LLVKDONJSA-N 0 1 271.364 3.588 20 0 CHADMN c1ccc([C@@H]2CCC[C@H]2c2nc([C@@H]3CCCN3)no2)cc1 ZINC000842636924 1132445529 /nfs/dbraw/zinc/44/55/29/1132445529.db2.gz OESNDPCQFRXTPE-ZNMIVQPWSA-N 0 1 283.375 3.545 20 0 CHADMN C[C@@H]1C(=O)N(CN(C)CCC(C)(C)C)[C@H]1c1ccccc1 ZINC000842631331 1132446261 /nfs/dbraw/zinc/44/62/61/1132446261.db2.gz MRWCSSZXTHTGFV-GOEBONIOSA-N 0 1 288.435 3.532 20 0 CHADMN C[C@H]1C(=O)N(CN(C)CCC(C)(C)C)[C@@H]1c1ccccc1 ZINC000842631336 1132446338 /nfs/dbraw/zinc/44/63/38/1132446338.db2.gz MRWCSSZXTHTGFV-ZBFHGGJFSA-N 0 1 288.435 3.532 20 0 CHADMN CCCCCC[C@H](CC)c1nc([C@@H]2CCCN2)no1 ZINC000842638455 1132446373 /nfs/dbraw/zinc/44/63/73/1132446373.db2.gz AWWKWPVOLZRQER-STQMWFEESA-N 0 1 265.401 3.958 20 0 CHADMN CCCCC[C@@H](c1nc([C@H]2CCCN2)no1)C(C)C ZINC000842641758 1132447472 /nfs/dbraw/zinc/44/74/72/1132447472.db2.gz GEWMJPNSKHZNPJ-CHWSQXEVSA-N 0 1 265.401 3.814 20 0 CHADMN CCSC[C@@H](C)N(C)Cc1ccccc1Cl ZINC001173307085 1132447908 /nfs/dbraw/zinc/44/79/08/1132447908.db2.gz RJNIGBKKOKYTEV-LLVKDONJSA-N 0 1 257.830 3.913 20 0 CHADMN CCOc1ncc(CN2CCc3c(C)cccc3C2)cc1C ZINC001232302423 1132450245 /nfs/dbraw/zinc/45/02/45/1132450245.db2.gz GKVBTTIFFDEWKG-UHFFFAOYSA-N 0 1 296.414 3.655 20 0 CHADMN CSc1ccc(CN2CCCc3ccccc3C2)cn1 ZINC001232327951 1132453897 /nfs/dbraw/zinc/45/38/97/1132453897.db2.gz BDCWZLTUZUMKCJ-UHFFFAOYSA-N 0 1 284.428 3.752 20 0 CHADMN Cc1cc(CNC2(c3ccccc3C)CC2)c(C)o1 ZINC000842733143 1132457036 /nfs/dbraw/zinc/45/70/36/1132457036.db2.gz WVIDZPWLSMBIMQ-UHFFFAOYSA-N 0 1 255.361 3.984 20 0 CHADMN CSc1cc(C)c(CN2CCCCC23CC3)cn1 ZINC001232349277 1132458217 /nfs/dbraw/zinc/45/82/17/1132458217.db2.gz CIPBKOKQJPMHBH-UHFFFAOYSA-N 0 1 262.422 3.630 20 0 CHADMN CSc1cc(C)c(CN(C)Cc2cccc(F)c2)cn1 ZINC001232342054 1132458287 /nfs/dbraw/zinc/45/82/87/1132458287.db2.gz LFISKMWICXCNTD-UHFFFAOYSA-N 0 1 290.407 3.883 20 0 CHADMN CSc1cc(C)c(CN2C[C@H]3CC[C@@H](C2)C3(F)F)cn1 ZINC001232344473 1132458623 /nfs/dbraw/zinc/45/86/23/1132458623.db2.gz DJVBNVYWINKPHA-BETUJISGSA-N 0 1 298.402 3.589 20 0 CHADMN CC(C)[C@@H]1COCCN1Cc1cccc(-c2ccccn2)c1 ZINC001142844512 1132459418 /nfs/dbraw/zinc/45/94/18/1132459418.db2.gz WIJNRZDUNLPJRL-IBGZPJMESA-N 0 1 296.414 3.605 20 0 CHADMN Cc1ccc(OCc2ccccc2)c(CN2CC=CC2)c1 ZINC001232376727 1132461727 /nfs/dbraw/zinc/46/17/27/1132461727.db2.gz KLOLONUKUOBWSU-UHFFFAOYSA-N 0 1 279.383 3.946 20 0 CHADMN CCOc1ccc(OC)cc1CN1CC2(C1)CCCCC2 ZINC001232385096 1132462897 /nfs/dbraw/zinc/46/28/97/1132462897.db2.gz GRESHCZWAHWLJF-UHFFFAOYSA-N 0 1 289.419 3.860 20 0 CHADMN COc1ccc(OC(C)C)c(C[N@H+]2CCC3(CCC3)C2)c1 ZINC001232389863 1132464277 /nfs/dbraw/zinc/46/42/77/1132464277.db2.gz FCQAPALSICXBDC-UHFFFAOYSA-N 0 1 289.419 3.858 20 0 CHADMN COc1ccc(OC(C)C)c(C[N@H+]2C[C@H](C)CC23CC3)c1 ZINC001232389078 1132464427 /nfs/dbraw/zinc/46/44/27/1132464427.db2.gz NEEXIERGDDSMHQ-CQSZACIVSA-N 0 1 289.419 3.857 20 0 CHADMN CC(=O)[C@@H]1CCCN(Cc2cc(C)ccc2OC(C)C)C1 ZINC001232398396 1132465130 /nfs/dbraw/zinc/46/51/30/1132465130.db2.gz IMNSGFVNUXJWBU-MRXNPFEDSA-N 0 1 289.419 3.583 20 0 CHADMN CC[N@@H+](Cc1cn2cc(F)ccc2n1)Cc1ccc(C)cc1 ZINC001232414229 1132467765 /nfs/dbraw/zinc/46/77/65/1132467765.db2.gz GBSKRNULJLFXAR-UHFFFAOYSA-N 0 1 297.377 3.804 20 0 CHADMN CCN(Cc1cn2cc(F)ccc2n1)Cc1ccc(C)cc1 ZINC001232414229 1132467770 /nfs/dbraw/zinc/46/77/70/1132467770.db2.gz GBSKRNULJLFXAR-UHFFFAOYSA-N 0 1 297.377 3.804 20 0 CHADMN FC(F)(F)c1ccc(CN2C[C@@H]3CCC[C@@H]3C2)o1 ZINC001232439794 1132469954 /nfs/dbraw/zinc/46/99/54/1132469954.db2.gz FHYGFJMSXSHOLY-AOOOYVTPSA-N 0 1 259.271 3.530 20 0 CHADMN FC(F)(F)c1ccc(CN2CC[C@@H](c3ccncc3)C2)o1 ZINC001232443551 1132471955 /nfs/dbraw/zinc/47/19/55/1132471955.db2.gz BESHORPLOCRTIP-GFCCVEGCSA-N 0 1 296.292 3.683 20 0 CHADMN c1c(CN2CCC23CCCC3)onc1OCc1ccccc1 ZINC001232445331 1132472026 /nfs/dbraw/zinc/47/20/26/1132472026.db2.gz SXZVDOTWFBMPHA-UHFFFAOYSA-N 0 1 298.386 3.772 20 0 CHADMN Cc1ncc(CN2CCC[C@H]2c2ccc(Cl)cc2)[nH]1 ZINC001232461837 1132473343 /nfs/dbraw/zinc/47/33/43/1132473343.db2.gz GFEOCUNTQLNLLD-HNNXBMFYSA-N 0 1 275.783 3.709 20 0 CHADMN Cc1ncc(C[N@H+]2CCC[C@H]2c2cc(C)cc(C)c2)[nH]1 ZINC001232465656 1132473449 /nfs/dbraw/zinc/47/34/49/1132473449.db2.gz NMFHDGIFMPLAPR-KRWDZBQOSA-N 0 1 269.392 3.672 20 0 CHADMN Cc1ncc(CN2CCC[C@@H]2c2ccccc2Cl)[nH]1 ZINC001232461900 1132473770 /nfs/dbraw/zinc/47/37/70/1132473770.db2.gz GXRJDFFQKCWDCA-OAHLLOKOSA-N 0 1 275.783 3.709 20 0 CHADMN Nc1ccc(F)cc1CN1CCC[C@@H]1c1ccccc1F ZINC001232510743 1132481184 /nfs/dbraw/zinc/48/11/84/1132481184.db2.gz KBNHJNJGJBFCOI-QGZVFWFLSA-N 0 1 288.341 3.884 20 0 CHADMN Cc1c(Br)cncc1CN1CCCCC12CC2 ZINC001232530757 1132483272 /nfs/dbraw/zinc/48/32/72/1132483272.db2.gz ICPSLVZAXYZRKJ-UHFFFAOYSA-N 0 1 295.224 3.671 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(CF)n2)cc1C ZINC001232538609 1132486539 /nfs/dbraw/zinc/48/65/39/1132486539.db2.gz SSSXDUVFVNQXMX-UHFFFAOYSA-N 0 1 272.367 3.800 20 0 CHADMN CC1(C)CN(Cc2nccnc2-c2ccc(Cl)cc2)C1 ZINC001142967468 1132486870 /nfs/dbraw/zinc/48/68/70/1132486870.db2.gz WJJQRTHNJCLWJV-UHFFFAOYSA-N 0 1 287.794 3.639 20 0 CHADMN C[C@@H]1CCN(Cc2nc3ccccc3o2)CCC1(F)F ZINC001232555045 1132486893 /nfs/dbraw/zinc/48/68/93/1132486893.db2.gz HZCXYALJPJBTAE-LLVKDONJSA-N 0 1 280.318 3.695 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1cccn2ccnc12 ZINC001142961401 1132488241 /nfs/dbraw/zinc/48/82/41/1132488241.db2.gz LNVYAFRGAIVBIA-CQSZACIVSA-N 0 1 295.386 3.536 20 0 CHADMN CCOC(=O)c1ccc(CN(C)CCC2CC2)c(Cl)c1 ZINC001232593825 1132490756 /nfs/dbraw/zinc/49/07/56/1132490756.db2.gz JYNKNPYWWBQGBZ-UHFFFAOYSA-N 0 1 295.810 3.749 20 0 CHADMN CN(Cc1cccnc1)Cc1ccc2ccsc2c1 ZINC001232610225 1132493739 /nfs/dbraw/zinc/49/37/39/1132493739.db2.gz LKHDFHLWXLRTQX-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN CC[N@@H+](Cc1ccc(Cl)c([O-])c1Cl)C(C)C ZINC001232624680 1132496174 /nfs/dbraw/zinc/49/61/74/1132496174.db2.gz SLKDLZGARIZYFQ-UHFFFAOYSA-N 0 1 262.180 3.929 20 0 CHADMN C/C(=C\c1cccc(Cl)c1)c1nc([C@H](N)C(C)C)no1 ZINC000843149480 1132497682 /nfs/dbraw/zinc/49/76/82/1132497682.db2.gz NUKXKQBPDRXNRW-UTSBKAFOSA-N 0 1 291.782 3.939 20 0 CHADMN C/C(=C\c1cccc(Cl)c1)c1nc([C@@H](N)C(C)C)no1 ZINC000843149476 1132498541 /nfs/dbraw/zinc/49/85/41/1132498541.db2.gz NUKXKQBPDRXNRW-RSPDNQDQSA-N 0 1 291.782 3.939 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)c([O-])c1Cl)C(C)(C)C ZINC001232632315 1132498869 /nfs/dbraw/zinc/49/88/69/1132498869.db2.gz XHJFVPVIGRXSAT-UHFFFAOYSA-N 0 1 262.180 3.929 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2ccccc2C(F)(F)F)no1 ZINC000843175243 1132499419 /nfs/dbraw/zinc/49/94/19/1132499419.db2.gz SVZJZGCJHGMTMM-VIFPVBQESA-N 0 1 299.296 3.816 20 0 CHADMN Cc1cnc2c(c1)CN(Cc1cccc3c1CCCC3)CC2 ZINC001232639783 1132501171 /nfs/dbraw/zinc/50/11/71/1132501171.db2.gz GUWQNNAQORGZDZ-UHFFFAOYSA-N 0 1 292.426 3.827 20 0 CHADMN Cc1nc(CN2CCCCC[C@@H]2C)ccc1Br ZINC001232668243 1132501759 /nfs/dbraw/zinc/50/17/59/1132501759.db2.gz ZUBQSAMKKDDYPK-NSHDSACASA-N 0 1 297.240 3.917 20 0 CHADMN Brc1ccoc1CN1CCC12CCCCC2 ZINC001143116250 1132503733 /nfs/dbraw/zinc/50/37/33/1132503733.db2.gz BQJDWBXTTKXQPJ-UHFFFAOYSA-N 0 1 284.197 3.951 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(-c2ccc(F)cc2F)no1 ZINC000843233860 1132505749 /nfs/dbraw/zinc/50/57/49/1132505749.db2.gz DFVMAQMUGXWPEA-LBPRGKRZSA-N 0 1 295.333 3.712 20 0 CHADMN CC(=O)[C@H]1CCCN(Cc2cc3ccc(Cl)cc3[nH]2)C1 ZINC001232732375 1132509424 /nfs/dbraw/zinc/50/94/24/1132509424.db2.gz QWEOOGMISVDCAQ-ZDUSSCGKSA-N 0 1 290.794 3.622 20 0 CHADMN C[C@H]1CC(=O)CCN1C1CCC2(CCc3ccccc32)CC1 ZINC001173688397 1132510445 /nfs/dbraw/zinc/51/04/45/1132510445.db2.gz SFCYEJCDSKUNBK-FVWXCPNNSA-N 0 1 297.442 3.867 20 0 CHADMN CSc1cc(F)ccc1NC(=S)NC1(C)CCC1 ZINC000843284436 1132514095 /nfs/dbraw/zinc/51/40/95/1132514095.db2.gz XASGVGHOUZMFOQ-UHFFFAOYSA-N 0 1 284.425 3.777 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3ncsc3c2)cn1 ZINC001232744771 1132514545 /nfs/dbraw/zinc/51/45/45/1132514545.db2.gz XAFOIOBEAYAQRC-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN CCN(Cc1ccc(C)c(C)c1)Cc1ccc(C)nc1N ZINC001143206989 1132517192 /nfs/dbraw/zinc/51/71/92/1132517192.db2.gz MIOZWALYOLKKGQ-UHFFFAOYSA-N 0 1 283.419 3.611 20 0 CHADMN Cc1cc(CN2CC3CCC2CC3)c(F)cc1F ZINC001232781841 1132518733 /nfs/dbraw/zinc/51/87/33/1132518733.db2.gz ACRSOZSIXNAWMT-UHFFFAOYSA-N 0 1 251.320 3.648 20 0 CHADMN c1c2cccnc2[nH]c1CN1CCCC[C@H]1c1cccnc1 ZINC001143220717 1132519056 /nfs/dbraw/zinc/51/90/56/1132519056.db2.gz PXBXVHOKTNCEDB-KRWDZBQOSA-N 0 1 292.386 3.685 20 0 CHADMN COCCC1CCN(Cc2cc(C)c(F)cc2F)CC1 ZINC001232783178 1132519458 /nfs/dbraw/zinc/51/94/58/1132519458.db2.gz UBJBIRCOOWEZEP-UHFFFAOYSA-N 0 1 283.362 3.522 20 0 CHADMN Oc1cccc(CN2CCC3(CC(F)C3)CC2)c1Cl ZINC001232785741 1132521989 /nfs/dbraw/zinc/52/19/89/1132521989.db2.gz JAWUDCGGPZWWNS-UHFFFAOYSA-N 0 1 283.774 3.760 20 0 CHADMN Fc1cc(CN2CCCCC2)cc(OC(F)(F)F)c1 ZINC001143256276 1132523570 /nfs/dbraw/zinc/52/35/70/1132523570.db2.gz HYHCGQMFTWCZLG-UHFFFAOYSA-N 0 1 277.261 3.710 20 0 CHADMN COc1cc(O)cc(CN2CCc3ccccc3[C@H]2C)c1 ZINC001232800324 1132524164 /nfs/dbraw/zinc/52/41/64/1132524164.db2.gz CPUAUOIZLFMKDR-CYBMUJFWSA-N 0 1 283.371 3.520 20 0 CHADMN COc1cc(O)cc(CN2CC=C(c3ccccc3)CC2)c1 ZINC001232805021 1132525253 /nfs/dbraw/zinc/52/52/53/1132525253.db2.gz QRTHYBQEFBHKRG-UHFFFAOYSA-N 0 1 295.382 3.690 20 0 CHADMN CCOc1ccc(CN2C[C@H]3CCC[C@@H]3C2)c(F)c1F ZINC001143267978 1132526695 /nfs/dbraw/zinc/52/66/95/1132526695.db2.gz VIBKPKMWNCSAPQ-VXGBXAGGSA-N 0 1 281.346 3.595 20 0 CHADMN CCCCCN(C)Cc1ccc(F)c(OC)c1F ZINC001143304331 1132534379 /nfs/dbraw/zinc/53/43/79/1132534379.db2.gz NLFHVZSBINSQQI-UHFFFAOYSA-N 0 1 257.324 3.595 20 0 CHADMN COc1c(F)ccc(CN2CC[C@H]3CCCC[C@H]3C2)c1F ZINC001143322035 1132536629 /nfs/dbraw/zinc/53/66/29/1132536629.db2.gz SHQMWCYMUPLNNO-OLZOCXBDSA-N 0 1 295.373 3.986 20 0 CHADMN C[C@@]1(F)CCN(Cc2ccccc2-n2cccc2)C[C@@H]1F ZINC001232909168 1132541752 /nfs/dbraw/zinc/54/17/52/1132541752.db2.gz KGHJNRKTLJUJQM-DLBZAZTESA-N 0 1 290.357 3.749 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@@H](C)C2)ncc1Br ZINC001232907898 1132542552 /nfs/dbraw/zinc/54/25/52/1132542552.db2.gz YVCXTDVQNNLBFB-GHMZBOCLSA-N 0 1 297.240 3.630 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1ccc(F)c([O-])c1F ZINC001232935593 1132544081 /nfs/dbraw/zinc/54/40/81/1132544081.db2.gz VCKITFGARUGKCK-LBPRGKRZSA-N 0 1 269.335 3.825 20 0 CHADMN C[C@]1(F)CCCCN(Cc2ccc3ncoc3c2)C1 ZINC001232938723 1132546572 /nfs/dbraw/zinc/54/65/72/1132546572.db2.gz XTMSCAIIJXFXCC-HNNXBMFYSA-N 0 1 262.328 3.542 20 0 CHADMN O=C1CCN(Cc2ccc(C3CC3)cc2)[C@@H]2CCCC[C@@H]12 ZINC001232985075 1132554429 /nfs/dbraw/zinc/55/44/29/1132554429.db2.gz VPIBGHYQNPAROY-QZTJIDSGSA-N 0 1 283.415 3.898 20 0 CHADMN c1cc2c(cn1)CCN(Cc1ccc(C3CC3)cc1)C2 ZINC001232984711 1132555801 /nfs/dbraw/zinc/55/58/01/1132555801.db2.gz QRYCCMUVTVZTAM-UHFFFAOYSA-N 0 1 264.372 3.517 20 0 CHADMN Cc1ncc(F)cc1CN(C)[C@H]1CCc2ccccc21 ZINC001232991512 1132557213 /nfs/dbraw/zinc/55/72/13/1132557213.db2.gz CLRUQEOIPGVTKW-KRWDZBQOSA-N 0 1 270.351 3.648 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cc(F)cnc1C ZINC001232991171 1132559156 /nfs/dbraw/zinc/55/91/56/1132559156.db2.gz VVISTBLJHPZIBB-UHFFFAOYSA-N 0 1 276.330 3.690 20 0 CHADMN CCCN(CC)Cc1c(F)cc(Cl)cc1OC ZINC001233001213 1132560046 /nfs/dbraw/zinc/56/00/46/1132560046.db2.gz DTDFPUGHLYXDJC-UHFFFAOYSA-N 0 1 259.752 3.720 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c1F ZINC001233052478 1132566583 /nfs/dbraw/zinc/56/65/83/1132566583.db2.gz NSXBAAMMNBQVAO-MRXNPFEDSA-N 0 1 299.389 3.986 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c1F ZINC001233052478 1132566586 /nfs/dbraw/zinc/56/65/86/1132566586.db2.gz NSXBAAMMNBQVAO-MRXNPFEDSA-N 0 1 299.389 3.986 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC3(C2)CCCCC3)c1F ZINC001233055513 1132567543 /nfs/dbraw/zinc/56/75/43/1132567543.db2.gz SCASCRYCIKSKON-UHFFFAOYSA-N 0 1 263.356 3.688 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c1F ZINC001233053292 1132567456 /nfs/dbraw/zinc/56/74/56/1132567456.db2.gz NOISDGFMDMLVBI-GXTWGEPZSA-N 0 1 263.356 3.686 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c1F ZINC001233053292 1132567461 /nfs/dbraw/zinc/56/74/61/1132567461.db2.gz NOISDGFMDMLVBI-GXTWGEPZSA-N 0 1 263.356 3.686 20 0 CHADMN Oc1cccc(C[N@H+]2CCC3(C2)CCCCC3)c1F ZINC001233055513 1132567534 /nfs/dbraw/zinc/56/75/34/1132567534.db2.gz SCASCRYCIKSKON-UHFFFAOYSA-N 0 1 263.356 3.688 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC3(C2)CCCCC3)c1F ZINC001233055513 1132567537 /nfs/dbraw/zinc/56/75/37/1132567537.db2.gz SCASCRYCIKSKON-UHFFFAOYSA-N 0 1 263.356 3.688 20 0 CHADMN COCC[C@H]1CCCC[N@H+]1Cc1ccsc1Cl ZINC001233057618 1132568906 /nfs/dbraw/zinc/56/89/06/1132568906.db2.gz RGQOBKXJMSEZBM-GFCCVEGCSA-N 0 1 273.829 3.793 20 0 CHADMN COCC[C@H]1CCCCN1Cc1ccsc1Cl ZINC001233057618 1132568910 /nfs/dbraw/zinc/56/89/10/1132568910.db2.gz RGQOBKXJMSEZBM-GFCCVEGCSA-N 0 1 273.829 3.793 20 0 CHADMN CCOCC1CCN(Cc2ccsc2Cl)CC1 ZINC001233058793 1132570564 /nfs/dbraw/zinc/57/05/64/1132570564.db2.gz SXOINBCZOQXQNQ-UHFFFAOYSA-N 0 1 273.829 3.650 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(Cl)cc2)cnc1C ZINC001233161839 1132573593 /nfs/dbraw/zinc/57/35/93/1132573593.db2.gz JKWRRRFHQWYPCM-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cnc(C)c(C)c1 ZINC001233161057 1132575142 /nfs/dbraw/zinc/57/51/42/1132575142.db2.gz QOUITHMWCMEYSJ-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1n[nH]c3cc(F)ccc31)C2 ZINC001233128733 1132575150 /nfs/dbraw/zinc/57/51/50/1132575150.db2.gz OQRXXVJXDKXHKB-UHFFFAOYSA-N 0 1 295.361 3.569 20 0 CHADMN Cc1cc(CN2CCCC[C@H]2c2cccnc2)cnc1C ZINC001233162577 1132575493 /nfs/dbraw/zinc/57/54/93/1132575493.db2.gz DKWVSZFSZRAQCC-SFHVURJKSA-N 0 1 281.403 3.821 20 0 CHADMN O=C(Nc1ccccc1C(F)F)c1ccn2cncc2c1 ZINC001151905213 1132575678 /nfs/dbraw/zinc/57/56/78/1132575678.db2.gz GVCRQQRWCBHLRE-UHFFFAOYSA-N 0 1 287.269 3.524 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2ccc(C)c(O)c2)cn1 ZINC001233234191 1132586835 /nfs/dbraw/zinc/58/68/35/1132586835.db2.gz MQJONLKJQGCALG-QGZVFWFLSA-N 0 1 282.387 3.741 20 0 CHADMN C[C@@]1(F)CCCC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233259522 1132590042 /nfs/dbraw/zinc/59/00/42/1132590042.db2.gz WGAPQVXWALCIIT-CQSZACIVSA-N 0 1 253.386 3.689 20 0 CHADMN [S-]c1ccc(C[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC001233261748 1132590984 /nfs/dbraw/zinc/59/09/84/1132590984.db2.gz BZALSVDVXQDWIY-INIZCTEOSA-N 0 1 255.386 3.922 20 0 CHADMN [S-]c1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC001233261089 1132591067 /nfs/dbraw/zinc/59/10/67/1132591067.db2.gz AYVXPFMUNHXKRD-INIZCTEOSA-N 0 1 270.401 3.707 20 0 CHADMN Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233261181 1132591338 /nfs/dbraw/zinc/59/13/38/1132591338.db2.gz GAUGQWKLDSUIEL-MRXNPFEDSA-N 0 1 299.439 3.937 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1cccc(O)c1OC ZINC001233257442 1132591691 /nfs/dbraw/zinc/59/16/91/1132591691.db2.gz IDVSUHJQSJDIKC-MRXNPFEDSA-N 0 1 285.387 3.984 20 0 CHADMN C[C@H]1C(=O)CC[N@@H+](Cc2ccc([S-])cc2)C12CCCC2 ZINC001233263242 1132593491 /nfs/dbraw/zinc/59/34/91/1132593491.db2.gz MLXFOYINHXUNJE-ZDUSSCGKSA-N 0 1 289.444 3.699 20 0 CHADMN Cc1cc(CN(C)Cc2cccc3cccnc32)sn1 ZINC001233312342 1132597607 /nfs/dbraw/zinc/59/76/07/1132597607.db2.gz MZAJFWHSIDOKIP-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN O=C(C=CC1CCCCCC1)Nc1nc(C2CCC2)n[nH]1 ZINC001153735760 1132599660 /nfs/dbraw/zinc/59/96/60/1132599660.db2.gz VYDNCSVRYSJDQS-ZHACJKMWSA-N 0 1 288.395 3.537 20 0 CHADMN O=C(/C=C/C1CCCCCC1)Nc1n[nH]c(C2CCC2)n1 ZINC001153735760 1132599665 /nfs/dbraw/zinc/59/96/65/1132599665.db2.gz VYDNCSVRYSJDQS-ZHACJKMWSA-N 0 1 288.395 3.537 20 0 CHADMN Cc1cnsc1CN1CCC[C@H]1c1cccc(F)c1 ZINC001233320586 1132600328 /nfs/dbraw/zinc/60/03/28/1132600328.db2.gz GCTHINHDGZTPQG-AWEZNQCLSA-N 0 1 276.380 3.928 20 0 CHADMN COc1cc(F)c(CN2CC[C@H]3CCC[C@@H]3C2)cc1F ZINC001233341211 1132606010 /nfs/dbraw/zinc/60/60/10/1132606010.db2.gz HYRFXAQHPUXIND-VXGBXAGGSA-N 0 1 281.346 3.595 20 0 CHADMN F[C@@H]1CCCCN(Cc2cc3cccnc3s2)C1 ZINC001233346050 1132606661 /nfs/dbraw/zinc/60/66/61/1132606661.db2.gz PIJBWBGDUGQGBX-GFCCVEGCSA-N 0 1 264.369 3.620 20 0 CHADMN COc1cc(F)c(CN2CCC(C(C)C)CC2)cc1F ZINC001233343990 1132606695 /nfs/dbraw/zinc/60/66/95/1132606695.db2.gz JERMHQPRYLDMCO-UHFFFAOYSA-N 0 1 283.362 3.841 20 0 CHADMN CSc1cccc(Cl)c1CN1CCCC2(COC2)C1 ZINC001233350698 1132607487 /nfs/dbraw/zinc/60/74/87/1132607487.db2.gz PNFGGNCYVRPGCK-UHFFFAOYSA-N 0 1 297.851 3.674 20 0 CHADMN CSc1cccc(Cl)c1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001233353055 1132609635 /nfs/dbraw/zinc/60/96/35/1132609635.db2.gz FQXGKUWIOCSSNH-RTCCRHLQSA-N 0 1 285.815 3.709 20 0 CHADMN CSc1cccc(Cl)c1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001233353032 1132609661 /nfs/dbraw/zinc/60/96/61/1132609661.db2.gz DKOZFMWPTXTFEZ-FZMZJTMJSA-N 0 1 297.851 3.673 20 0 CHADMN CCO[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2SC)C1 ZINC001233353482 1132609761 /nfs/dbraw/zinc/60/97/61/1132609761.db2.gz XQTSXQYKFRDLAK-LLVKDONJSA-N 0 1 285.840 3.673 20 0 CHADMN CCO[C@@H]1CCN(Cc2c(Cl)cccc2SC)C1 ZINC001233353482 1132609764 /nfs/dbraw/zinc/60/97/64/1132609764.db2.gz XQTSXQYKFRDLAK-LLVKDONJSA-N 0 1 285.840 3.673 20 0 CHADMN CC1(C)CCN(Cc2cnc3cccc(Cl)n23)CC1 ZINC001233358265 1132609842 /nfs/dbraw/zinc/60/98/42/1132609842.db2.gz ACOYLUVOFXMHQJ-UHFFFAOYSA-N 0 1 277.799 3.610 20 0 CHADMN CO[C@@H](C)C1CN(Cc2c(Cl)cccc2SC)C1 ZINC001233353386 1132609852 /nfs/dbraw/zinc/60/98/52/1132609852.db2.gz SNZZVYJBKZVCCV-JTQLQIEISA-N 0 1 285.840 3.529 20 0 CHADMN C[C@]1(F)CCC[N@@H+](Cc2cnc3cccc(Cl)n23)CC1 ZINC001233356402 1132609983 /nfs/dbraw/zinc/60/99/83/1132609983.db2.gz KZTNTFBTSPHATR-HNNXBMFYSA-N 0 1 295.789 3.702 20 0 CHADMN C[C@]1(F)CCCN(Cc2cnc3cccc(Cl)n23)CC1 ZINC001233356402 1132609985 /nfs/dbraw/zinc/60/99/85/1132609985.db2.gz KZTNTFBTSPHATR-HNNXBMFYSA-N 0 1 295.789 3.702 20 0 CHADMN Cc1ncc(CN2CCC3(CC2)O[C@@H](C)c2ccccc23)o1 ZINC001233368414 1132611839 /nfs/dbraw/zinc/61/18/39/1132611839.db2.gz OEBDPDIEVGWWBI-ZDUSSCGKSA-N 0 1 298.386 3.566 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2ccc(N)cc2Cl)C1 ZINC001233374271 1132611970 /nfs/dbraw/zinc/61/19/70/1132611970.db2.gz XALCWDVCPRXKPN-CQSZACIVSA-N 0 1 270.779 3.636 20 0 CHADMN Nc1cc(F)c(F)cc1CN(Cc1ccccc1)C1CC1 ZINC001233381792 1132614311 /nfs/dbraw/zinc/61/43/11/1132614311.db2.gz RTBFCYXKROBIPW-UHFFFAOYSA-N 0 1 288.341 3.712 20 0 CHADMN CCCCN(CCC)Cc1c(F)ccc(O)c1F ZINC001233395723 1132616171 /nfs/dbraw/zinc/61/61/71/1132616171.db2.gz KZKMXTOKIPHCQO-UHFFFAOYSA-N 0 1 257.324 3.683 20 0 CHADMN C[C@@H]1CCCN(Cc2c(F)ccc(O)c2F)C[C@@H]1C ZINC001233393910 1132617239 /nfs/dbraw/zinc/61/72/39/1132617239.db2.gz QWPCOPJSKDJUKN-MNOVXSKESA-N 0 1 269.335 3.538 20 0 CHADMN COc1ccc(CN2CC[C@@H](C)C[C@H]2C)c(Cl)c1O ZINC001233400698 1132617287 /nfs/dbraw/zinc/61/72/87/1132617287.db2.gz UJZITSFHTILFEN-GHMZBOCLSA-N 0 1 283.799 3.675 20 0 CHADMN Clc1cccn2cc(CN3CCC[C@H]4CCC[C@@H]43)nc12 ZINC001233423099 1132620563 /nfs/dbraw/zinc/62/05/63/1132620563.db2.gz HQKRJVWWBRYPSM-DOMZBBRYSA-N 0 1 289.810 3.752 20 0 CHADMN CN(Cc1cc(Br)ncc1Cl)C(C)(C)C ZINC001233427186 1132620994 /nfs/dbraw/zinc/62/09/94/1132620994.db2.gz MGXLQLQYQOAIRX-UHFFFAOYSA-N 0 1 291.620 3.728 20 0 CHADMN Cc1cc(NC(=O)c2c(O)cccc2F)ccc1C1CC1 ZINC001154729634 1132621926 /nfs/dbraw/zinc/62/19/26/1132621926.db2.gz DSPMAQSWJFUPAN-UHFFFAOYSA-N 0 1 285.318 3.969 20 0 CHADMN c1c(-c2ccccc2)nn(CC2CC2)c1Nc1ccncc1 ZINC001173882328 1132623509 /nfs/dbraw/zinc/62/35/09/1132623509.db2.gz NRQPLEAPXUNFLQ-UHFFFAOYSA-N 0 1 290.370 3.521 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1ccc2nc(Cl)ccc2c1 ZINC001233442248 1132623547 /nfs/dbraw/zinc/62/35/47/1132623547.db2.gz KTVLRCHJSODBLP-MFKMUULPSA-N 0 1 278.758 3.821 20 0 CHADMN c1sc(Nc2ccncc2)cc1-c1ccccc1 ZINC001173881178 1132623646 /nfs/dbraw/zinc/62/36/46/1132623646.db2.gz FECUIWJMGAYUCS-UHFFFAOYSA-N 0 1 252.342 3.976 20 0 CHADMN Cc1cc(Nc2ccncc2)cc(C(F)(F)F)c1 ZINC001173883486 1132623699 /nfs/dbraw/zinc/62/36/99/1132623699.db2.gz KWWKLSNHHRLWMW-UHFFFAOYSA-N 0 1 252.239 3.574 20 0 CHADMN Cc1ccc(Br)c(C)c1Nc1ccncc1 ZINC001173883050 1132624074 /nfs/dbraw/zinc/62/40/74/1132624074.db2.gz DKPXMGOOTZOZCI-UHFFFAOYSA-N 0 1 277.165 3.626 20 0 CHADMN CN(Cc1cncc(Cl)n1)Cc1cccc2ccccc21 ZINC001233448841 1132624460 /nfs/dbraw/zinc/62/44/60/1132624460.db2.gz GFIFGROLMJEXFL-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN Fc1cc(Nc2ccncc2)ccc1OC1CCCC1 ZINC001173884157 1132625495 /nfs/dbraw/zinc/62/54/95/1132625495.db2.gz KICHGWHBXMZELH-UHFFFAOYSA-N 0 1 272.323 3.708 20 0 CHADMN CN(CCc1ccccc1)Cc1cn2c(cccc2Cl)n1 ZINC001233551770 1132635535 /nfs/dbraw/zinc/63/55/35/1132635535.db2.gz SKZSJLAXRQCPMB-UHFFFAOYSA-N 0 1 299.805 3.662 20 0 CHADMN COc1ccc(Nc2ccccc2CN(C)C)c(C(C)=O)c1 ZINC001173931302 1132644695 /nfs/dbraw/zinc/64/46/95/1132644695.db2.gz GXJRXFJLZCGMSD-UHFFFAOYSA-N 0 1 298.386 3.703 20 0 CHADMN Cc1cccc2ccnc(NCc3ccncc3C)c12 ZINC001155224850 1132650571 /nfs/dbraw/zinc/65/05/71/1132650571.db2.gz KLSKYWCFPOCTKE-UHFFFAOYSA-N 0 1 263.344 3.859 20 0 CHADMN Cc1ccn2c(CNc3ccc4c(n3)CCCC4)cnc2c1 ZINC001155278577 1132650718 /nfs/dbraw/zinc/65/07/18/1132650718.db2.gz MNEALMHCNCBORI-UHFFFAOYSA-N 0 1 292.386 3.529 20 0 CHADMN Cc1cc(CN2CCC(=O)[C@H]3CCCC[C@H]32)sc1C ZINC001233656139 1132657510 /nfs/dbraw/zinc/65/75/10/1132657510.db2.gz RZJMCGXYHWKBAO-LSDHHAIUSA-N 0 1 277.433 3.699 20 0 CHADMN Cc1cc(CN(C)Cc2cnc3ccccn23)sc1C ZINC001233656474 1132658623 /nfs/dbraw/zinc/65/86/23/1132658623.db2.gz XTOUYPLDMBPJEC-UHFFFAOYSA-N 0 1 285.416 3.645 20 0 CHADMN Cc1cc(CN(C)Cc2cccnc2C)sc1C ZINC001233700391 1132666120 /nfs/dbraw/zinc/66/61/20/1132666120.db2.gz LJCRAIAFBVVMKN-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN CC[C@@H](C)C1CCC(NC(=O)c2cccc3cncn32)CC1 ZINC001155799331 1132666671 /nfs/dbraw/zinc/66/66/71/1132666671.db2.gz FOKKOALZBGSNID-WLYUNCDWSA-N 0 1 299.418 3.669 20 0 CHADMN CCOc1cccc(CCNc2cc(C)c(C)cn2)c1 ZINC001155874946 1132668227 /nfs/dbraw/zinc/66/82/27/1132668227.db2.gz NSWZHIYKYVZOGX-UHFFFAOYSA-N 0 1 270.376 3.752 20 0 CHADMN CN(C)c1cccc(NC(=N)C23CC4CC(CC(C4)C2)C3)n1 ZINC001155956123 1132672602 /nfs/dbraw/zinc/67/26/02/1132672602.db2.gz KZYHUVUNJIGNKW-UHFFFAOYSA-N 0 1 298.434 3.753 20 0 CHADMN Cc1cccc2ccnc(NC[C@@H]3Cc4ccccc4O3)c12 ZINC001155978801 1132675151 /nfs/dbraw/zinc/67/51/51/1132675151.db2.gz GLOUNROJIVGVGM-INIZCTEOSA-N 0 1 290.366 3.959 20 0 CHADMN CCOc1ccnc(NCc2cc3ccccc3n2C)c1 ZINC001156014985 1132676311 /nfs/dbraw/zinc/67/63/11/1132676311.db2.gz NIBYJYIFAADEAD-UHFFFAOYSA-N 0 1 281.359 3.584 20 0 CHADMN COc1cccc(Nc2cc(C)nc3ccccc32)c1OC ZINC001174014244 1132681029 /nfs/dbraw/zinc/68/10/29/1132681029.db2.gz ZZMIBJYNHCBPPS-UHFFFAOYSA-N 0 1 294.354 3.726 20 0 CHADMN CNc1ccc(CNc2cc(OC(C)C)ccn2)cc1 ZINC001156138482 1132683174 /nfs/dbraw/zinc/68/31/74/1132683174.db2.gz DPISACWKKLXIAG-UHFFFAOYSA-N 0 1 271.364 3.523 20 0 CHADMN Cc1ccc(N[C@@H](c2cccnc2)C(F)(F)F)nc1C ZINC001156155714 1132684468 /nfs/dbraw/zinc/68/44/68/1132684468.db2.gz NHPOFKUREHDEDM-ZDUSSCGKSA-N 0 1 281.281 3.809 20 0 CHADMN Cc1cc2ccccc2c(NCCCc2ccncc2)n1 ZINC001156407796 1132692791 /nfs/dbraw/zinc/69/27/91/1132692791.db2.gz UBXJWKXUAAVSIP-UHFFFAOYSA-N 0 1 277.371 3.983 20 0 CHADMN CC(C)Oc1ccnc(NCCc2ccsc2)c1 ZINC001156522052 1132702176 /nfs/dbraw/zinc/70/21/76/1132702176.db2.gz WRBBGCGWANMCTC-UHFFFAOYSA-N 0 1 262.378 3.585 20 0 CHADMN CCCC1CCC(N(C)C(=O)[C@@H]2CCN2C(C)(C)C)CC1 ZINC001156748696 1132708868 /nfs/dbraw/zinc/70/88/68/1132708868.db2.gz AOTTWOGDIZQBTD-GPANFISMSA-N 0 1 294.483 3.677 20 0 CHADMN Cc1nc2cc(CNc3cc(OC(C)C)ccn3)ccc2o1 ZINC001156935635 1132718004 /nfs/dbraw/zinc/71/80/04/1132718004.db2.gz HAWPMHAGOOZZIL-UHFFFAOYSA-N 0 1 297.358 3.931 20 0 CHADMN Cc1cnc(N2CCc3c([nH]nc3C(F)(F)F)C2)cc1C ZINC001157347832 1132727539 /nfs/dbraw/zinc/72/75/39/1132727539.db2.gz PXUCWAOMLOUYDT-CYBMUJFWSA-N 0 1 296.296 3.559 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N1CCN(CC)C[C@@H]1C ZINC001157547511 1132733939 /nfs/dbraw/zinc/73/39/39/1132733939.db2.gz ASILGNDWMIJFCP-HOTGVXAUSA-N 0 1 282.472 3.536 20 0 CHADMN Cc1ccc2c(c1)cc(Cl)nc2NC1CN(C(C)C)C1 ZINC001157532712 1132734335 /nfs/dbraw/zinc/73/43/35/1132734335.db2.gz XGEZHJKKJKMAER-UHFFFAOYSA-N 0 1 289.810 3.701 20 0 CHADMN Cc1cnc(N[C@@H]2CCCc3cccnc32)cc1C ZINC001157852406 1132750424 /nfs/dbraw/zinc/75/04/24/1132750424.db2.gz XKYWTVYTBDGHEI-CQSZACIVSA-N 0 1 253.349 3.583 20 0 CHADMN C[C@H](CCCC(C)(C)O)Nc1ccc2c(n1)CCCC2 ZINC001157886909 1132752181 /nfs/dbraw/zinc/75/21/81/1132752181.db2.gz FUHFUXDOKRGIDE-CYBMUJFWSA-N 0 1 276.424 3.702 20 0 CHADMN Cn1cncc1Nc1cccc(OCc2ccccc2)c1 ZINC001174212533 1132758849 /nfs/dbraw/zinc/75/88/49/1132758849.db2.gz NZVYDBOVZLLSJX-UHFFFAOYSA-N 0 1 279.343 3.743 20 0 CHADMN CCC(=O)c1ccc(Nc2ccc3nccn3c2)cc1 ZINC001174279683 1132769770 /nfs/dbraw/zinc/76/97/70/1132769770.db2.gz GQBOWTAYVBJNFG-UHFFFAOYSA-N 0 1 265.316 3.671 20 0 CHADMN COc1cnc2c(cccc2Nc2ccc3nccn3c2)c1 ZINC001174279507 1132769963 /nfs/dbraw/zinc/76/99/63/1132769963.db2.gz CUYBJHZVEYHQRD-UHFFFAOYSA-N 0 1 290.326 3.635 20 0 CHADMN CCC(=O)c1cccc(Nc2ccc3nccn3c2)c1 ZINC001174279760 1132770124 /nfs/dbraw/zinc/77/01/24/1132770124.db2.gz GQQKFXAWVAUCAH-UHFFFAOYSA-N 0 1 265.316 3.671 20 0 CHADMN Cc1ccc(NCc2c(=O)[nH]c(C)c3c2CCCC3)nc1C ZINC001158492995 1132781945 /nfs/dbraw/zinc/78/19/45/1132781945.db2.gz JVAPUHHMMPQPKI-UHFFFAOYSA-N 0 1 297.402 3.598 20 0 CHADMN Cc1cn(-c2ccc(Nc3ccc4nccn4c3)cc2)cn1 ZINC001174276542 1132784569 /nfs/dbraw/zinc/78/45/69/1132784569.db2.gz GFOVHLZURQAZNM-UHFFFAOYSA-N 0 1 289.342 3.572 20 0 CHADMN CC(=O)c1cc(Cl)ccc1Nc1ccc2nccn2c1 ZINC001174278502 1132785081 /nfs/dbraw/zinc/78/50/81/1132785081.db2.gz WZRJIQGSWWVNJV-UHFFFAOYSA-N 0 1 285.734 3.934 20 0 CHADMN CCOC(=O)c1ccc(Nc2ccc3nccn3c2)c(C)c1 ZINC001174276939 1132785893 /nfs/dbraw/zinc/78/58/93/1132785893.db2.gz YESVOPKEJDHYDC-UHFFFAOYSA-N 0 1 295.342 3.563 20 0 CHADMN CC(=O)c1ccc(C)c(Nc2ccc3nccn3c2)c1 ZINC001174277923 1132786267 /nfs/dbraw/zinc/78/62/67/1132786267.db2.gz NMHCBZHUIUGQPM-UHFFFAOYSA-N 0 1 265.316 3.589 20 0 CHADMN c1cn2cc(Nc3ccc4scnc4c3)ccc2n1 ZINC001174278464 1132786367 /nfs/dbraw/zinc/78/63/67/1132786367.db2.gz GMVTYMAMFLATIZ-UHFFFAOYSA-N 0 1 266.329 3.688 20 0 CHADMN Cc1cccc2ccnc(NCCc3cncs3)c12 ZINC001158886786 1132796131 /nfs/dbraw/zinc/79/61/31/1132796131.db2.gz AXTSAWMOQSHZGD-UHFFFAOYSA-N 0 1 269.373 3.654 20 0 CHADMN Cc1cc(Cl)nc(Nc2cccc3[nH]ncc32)c1 ZINC001174343896 1132800612 /nfs/dbraw/zinc/80/06/12/1132800612.db2.gz SLEDSVUNLCMHKE-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN c1n[nH]c2cccc(Nc3cccc4ccncc43)c12 ZINC001174344422 1132801411 /nfs/dbraw/zinc/80/14/11/1132801411.db2.gz ZPEHSWPMFZTPMK-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN Cc1cc(F)c(F)cc1Nc1cccc2[nH]ncc21 ZINC001174344002 1132801691 /nfs/dbraw/zinc/80/16/91/1132801691.db2.gz JIVAJOMHRVVWDL-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN CC(C)(O)c1ccccc1Nc1cccc2[nH]ncc21 ZINC001174344003 1132802222 /nfs/dbraw/zinc/80/22/22/1132802222.db2.gz JJGCRXXQGWVDSI-UHFFFAOYSA-N 0 1 267.332 3.534 20 0 CHADMN O=C1CCCc2ccc(Nc3cccc4[nH]ncc43)cc2N1 ZINC001174345504 1132804712 /nfs/dbraw/zinc/80/47/12/1132804712.db2.gz FDQLTNBGEIXPIP-UHFFFAOYSA-N 0 1 292.342 3.581 20 0 CHADMN Cc1cc(=O)[nH]c2cc(Nc3cccc4[nH]ncc43)ccc12 ZINC001174345661 1132804723 /nfs/dbraw/zinc/80/47/23/1132804723.db2.gz LUAICMSHCJAQKJ-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1cc(F)ncc1NC1=CCCN(Cc2ccccc2)C1 ZINC001174393074 1132810415 /nfs/dbraw/zinc/81/04/15/1132810415.db2.gz QAYIQANZTISPFG-UHFFFAOYSA-N 0 1 297.377 3.731 20 0 CHADMN Oc1ccc(NC2=CCCN(Cc3ccccc3)C2)c(F)c1 ZINC001174397112 1132812325 /nfs/dbraw/zinc/81/23/25/1132812325.db2.gz OCNJVUPTCWKAKV-UHFFFAOYSA-N 0 1 298.361 3.733 20 0 CHADMN c1cc2cc(Nc3cc([C@@H]4CCCCN4)no3)ccc2o1 ZINC001159308767 1132827778 /nfs/dbraw/zinc/82/77/78/1132827778.db2.gz NJSYKHJRJVFPKE-ZDUSSCGKSA-N 0 1 283.331 3.979 20 0 CHADMN COc1cc(Nc2ccc(-c3cnn(C)c3)cc2)ncc1C ZINC001174378590 1132827811 /nfs/dbraw/zinc/82/78/11/1132827811.db2.gz FKQTYHCUTMEEDB-UHFFFAOYSA-N 0 1 294.358 3.543 20 0 CHADMN Fc1cc(Nc2cc([C@H]3CCCCN3)no2)cc(F)c1F ZINC001159307827 1132828383 /nfs/dbraw/zinc/82/83/83/1132828383.db2.gz DZVDAFFEVIRWTN-LLVKDONJSA-N 0 1 297.280 3.650 20 0 CHADMN Oc1ccc(Nc2cc([C@H]3CCCCN3)no2)c(Cl)c1 ZINC001159311728 1132829264 /nfs/dbraw/zinc/82/92/64/1132829264.db2.gz PDSOTNYUWKJQLK-GFCCVEGCSA-N 0 1 293.754 3.592 20 0 CHADMN Cc1c(F)ccc(Nc2cc([C@@H]3CCCCN3)no2)c1F ZINC001159312051 1132829280 /nfs/dbraw/zinc/82/92/80/1132829280.db2.gz VIBYKADTAGOIIE-NSHDSACASA-N 0 1 293.317 3.819 20 0 CHADMN COc1c(C)cccc1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159312060 1132830269 /nfs/dbraw/zinc/83/02/69/1132830269.db2.gz VMENVNVFDBVGMS-LBPRGKRZSA-N 0 1 287.363 3.550 20 0 CHADMN Cc1c(F)ccc(F)c1Nc1cc([C@H]2CCCCN2)no1 ZINC001159311715 1132830636 /nfs/dbraw/zinc/83/06/36/1132830636.db2.gz OZFCBEJHIMTPCF-GFCCVEGCSA-N 0 1 293.317 3.819 20 0 CHADMN COc1ccc2c(c1)C[C@H](Nc1ccc(C)c(C)n1)CC2 ZINC001159361206 1132832523 /nfs/dbraw/zinc/83/25/23/1132832523.db2.gz KUOUYUBTJJIFIG-MRXNPFEDSA-N 0 1 282.387 3.676 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc2n[nH]cc2c1 ZINC001159450161 1132847159 /nfs/dbraw/zinc/84/71/59/1132847159.db2.gz HBLDXSIPAXMZRU-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN [O-]c1cc(F)cc(F)c1Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001159490342 1132854861 /nfs/dbraw/zinc/85/48/61/1132854861.db2.gz NXLYEIWFRWCHMV-AWEZNQCLSA-N 0 1 290.313 3.839 20 0 CHADMN [O-]c1cc(Nc2cccc3c2CC[NH2+]C3)c(F)cc1Cl ZINC001159529153 1132858942 /nfs/dbraw/zinc/85/89/42/1132858942.db2.gz FEZZEXXUYWQKKZ-UHFFFAOYSA-N 0 1 292.741 3.574 20 0 CHADMN COc1ccc2cccnc2c1Nc1ccc2c[nH]nc2c1 ZINC001174500164 1132861334 /nfs/dbraw/zinc/86/13/34/1132861334.db2.gz CBJUQFMYQDNFRE-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN c1[nH]nc2cc(Nc3ccc(N4CCCCC4)nc3)ccc12 ZINC001174497858 1132864228 /nfs/dbraw/zinc/86/42/28/1132864228.db2.gz MZDAHHWGIMWVQI-UHFFFAOYSA-N 0 1 293.374 3.692 20 0 CHADMN O=c1[nH]ccc2ccc(Nc3cccc4[nH]ncc43)cc21 ZINC001159574344 1132864297 /nfs/dbraw/zinc/86/42/97/1132864297.db2.gz CLHCGJVTTZSCED-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN Cc1cccc(-n2nccc2Nc2ccc3c[nH]nc3c2)c1 ZINC001174498301 1132864318 /nfs/dbraw/zinc/86/43/18/1132864318.db2.gz BHQHHFJRRYCXBE-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Brc1ncc(Nc2ccc3cn[nH]c3c2)s1 ZINC001174498446 1132864403 /nfs/dbraw/zinc/86/44/03/1132864403.db2.gz DSAIDYPDJSXHTE-UHFFFAOYSA-N 0 1 295.165 3.526 20 0 CHADMN CC(C)(C)Cc1cc(Nc2ccc3cn[nH]c3c2)on1 ZINC001174498844 1132864968 /nfs/dbraw/zinc/86/49/68/1132864968.db2.gz KGSJKPJFOGSIKG-UHFFFAOYSA-N 0 1 270.336 3.883 20 0 CHADMN c1[nH]nc2cc(Nc3cnccc3C3CCC3)ccc12 ZINC001174499510 1132865616 /nfs/dbraw/zinc/86/56/16/1132865616.db2.gz XWLKOFFZAVSZHS-UHFFFAOYSA-N 0 1 264.332 3.969 20 0 CHADMN CSc1cnc(F)c(Nc2cccc3[nH]ncc32)c1 ZINC001159575332 1132867441 /nfs/dbraw/zinc/86/74/41/1132867441.db2.gz XCRZHONEEYVWSA-UHFFFAOYSA-N 0 1 274.324 3.563 20 0 CHADMN c1[nH]nc2cc(Nc3cnc4ccccc4c3)ccc12 ZINC001174499837 1132874443 /nfs/dbraw/zinc/87/44/43/1132874443.db2.gz ZJTLMUMNDZJFPW-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc3c(c2)NCCC3)c1F ZINC001159608949 1132874951 /nfs/dbraw/zinc/87/49/51/1132874951.db2.gz HYOGPSZNRHEWKV-UHFFFAOYSA-N 0 1 299.393 3.989 20 0 CHADMN CC(C)Oc1ccnc(N[C@@H](C)c2cccc(N)c2)c1 ZINC001159638116 1132880470 /nfs/dbraw/zinc/88/04/70/1132880470.db2.gz AVJKJXXJULZUHH-LBPRGKRZSA-N 0 1 271.364 3.624 20 0 CHADMN CCOc1ccc(Nc2ccc3c[nH]nc3c2)c(F)c1 ZINC001159661577 1132884541 /nfs/dbraw/zinc/88/45/41/1132884541.db2.gz AHFISAJPFCSMBQ-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN COc1ccc(F)c(Nc2ccc3c[nH]nc3c2)c1F ZINC001159661685 1132885447 /nfs/dbraw/zinc/88/54/47/1132885447.db2.gz DZOKKBNHZZXEEW-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN CCc1cc(OC)ccc1Nc1ccc2c[nH]nc2c1 ZINC001159662894 1132887244 /nfs/dbraw/zinc/88/72/44/1132887244.db2.gz KGMDFLWKLFTMAO-UHFFFAOYSA-N 0 1 267.332 3.878 20 0 CHADMN Fc1cc(Nc2ccc3c[nH]nc3c2)cc(C(F)(F)F)n1 ZINC001159662959 1132888377 /nfs/dbraw/zinc/88/83/77/1132888377.db2.gz NGGYPMYVGMHADG-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Fc1cncc2cccc(Nc3ccc4c[nH]nc4c3)c12 ZINC001174500433 1132901223 /nfs/dbraw/zinc/90/12/23/1132901223.db2.gz JPINHWKJKBHAQB-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Cc1noc2ccc(Nc3ccc4c[nH]nc4c3)cc12 ZINC001174501965 1132902731 /nfs/dbraw/zinc/90/27/31/1132902731.db2.gz PVVTXIMJAZRITA-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN CCc1ccc(Nc2ccc3c[nH]nc3c2)c(O)c1 ZINC001174501415 1132903426 /nfs/dbraw/zinc/90/34/26/1132903426.db2.gz RKXXNFMVQAGCKA-UHFFFAOYSA-N 0 1 253.305 3.575 20 0 CHADMN Cc1c(Cl)cc(NC=C2CC[NH2+]CC2)c([O-])c1Cl ZINC001159790059 1132909549 /nfs/dbraw/zinc/90/95/49/1132909549.db2.gz MWMDQCMLDYOHMI-UHFFFAOYSA-N 0 1 287.190 3.687 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(N)ccc3Cl)cc12 ZINC001159870699 1132916946 /nfs/dbraw/zinc/91/69/46/1132916946.db2.gz CCPLTFRQYDTVNE-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN COc1ccc(C)c(F)c1Nc1ccc2nc[nH]c2c1 ZINC001160224559 1132949162 /nfs/dbraw/zinc/94/91/62/1132949162.db2.gz SWJDTGBJDNHOAD-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1cc(Nc2c(Cl)ccc([O-])c2Cl)cc[nH+]1 ZINC001174657330 1132951760 /nfs/dbraw/zinc/95/17/60/1132951760.db2.gz RBLACWYLRSTGEC-UHFFFAOYSA-N 0 1 269.131 3.568 20 0 CHADMN Clc1cc(NCC2(c3ccccc3)CC2)c2nc[nH]c2n1 ZINC001160263242 1132953833 /nfs/dbraw/zinc/95/38/33/1132953833.db2.gz YYAPAUJWAHXNTP-UHFFFAOYSA-N 0 1 298.777 3.755 20 0 CHADMN COc1ccc(Nc2cc(Cl)cc3[nH]ncc32)cc1N ZINC001160310865 1132960804 /nfs/dbraw/zinc/96/08/04/1132960804.db2.gz GNUCXMLWXVKLOT-UHFFFAOYSA-N 0 1 288.738 3.551 20 0 CHADMN Cc1ccc(Nc2cc(Cl)cc3[nH]ncc32)cc1N ZINC001160329106 1132963179 /nfs/dbraw/zinc/96/31/79/1132963179.db2.gz KJZFIQSXKIMDSB-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1cc(C)nc(Nc2ccc3c(c2)CCCO3)c1 ZINC001174720071 1132963205 /nfs/dbraw/zinc/96/32/05/1132963205.db2.gz QNMUNZUETRBJMH-UHFFFAOYSA-N 0 1 254.333 3.767 20 0 CHADMN COc1ccc(C2(Nc3ccc(C)c(C)n3)CC2)cc1 ZINC001161260167 1132996465 /nfs/dbraw/zinc/99/64/65/1132996465.db2.gz BKYQQRNSPPPRES-UHFFFAOYSA-N 0 1 268.360 3.808 20 0 CHADMN C=COc1ccc(NC(=O)c2ccc(Cl)c(O)c2)cc1 ZINC001161309897 1132998403 /nfs/dbraw/zinc/99/84/03/1132998403.db2.gz GHKLGZXJWJTXAV-UHFFFAOYSA-N 0 1 289.718 3.820 20 0 CHADMN Cc1cc2ccccc2c(N[C@H]2CCCc3nccnc32)n1 ZINC001161409737 1133000336 /nfs/dbraw/zinc/00/03/36/1133000336.db2.gz SDZVKYIMEVTRAQ-INIZCTEOSA-N 0 1 290.370 3.823 20 0 CHADMN Fc1cncc([C@@H](Nc2ccc3c(n2)CCC3)C2CC2)c1 ZINC001161810715 1133029625 /nfs/dbraw/zinc/02/96/25/1133029625.db2.gz BAKDPMMNPBVKCU-KRWDZBQOSA-N 0 1 283.350 3.668 20 0 CHADMN Cc1nc2ccc(N[C@H](c3ccccc3)C3CC3)nc2[nH]1 ZINC001161962975 1133043415 /nfs/dbraw/zinc/04/34/15/1133043415.db2.gz RIMGCGNTPKPORL-MRXNPFEDSA-N 0 1 278.359 3.830 20 0 CHADMN Cc1cc(CNc2ccncc2C(F)(F)F)ccc1F ZINC001162062992 1133050016 /nfs/dbraw/zinc/05/00/16/1133050016.db2.gz XEVVVUXNIARAHU-UHFFFAOYSA-N 0 1 284.256 3.582 20 0 CHADMN Cc1nc2c(nc(Cl)nc2NC[C@@H]2CCC(C)(C)C2)[nH]1 ZINC001162123389 1133052639 /nfs/dbraw/zinc/05/26/39/1133052639.db2.gz UDOCXAQPRRQRKS-SECBINFHSA-N 0 1 293.802 3.505 20 0 CHADMN CCc1coc(CNc2ccc3c(c2)nc2cc[nH]cc3-2)n1 ZINC001162139830 1133054115 /nfs/dbraw/zinc/05/41/15/1133054115.db2.gz FQLKUMYMBRMHKR-UHFFFAOYSA-N 0 1 292.342 3.879 20 0 CHADMN Cc1ccc(N[C@@H]2CCOc3c(F)cc(F)cc32)nc1C ZINC001162405960 1133075840 /nfs/dbraw/zinc/07/58/40/1133075840.db2.gz IDWHSMFXXIQZMC-CQSZACIVSA-N 0 1 290.313 3.912 20 0 CHADMN Cc1cccc2ccnc(NC[C@H]3COc4cnccc43)c12 ZINC001162578497 1133093191 /nfs/dbraw/zinc/09/31/91/1133093191.db2.gz UZAYSKZWEYZOQC-AWEZNQCLSA-N 0 1 291.354 3.526 20 0 CHADMN COc1cnc(NC(=N)C(C)(C)C)c2ccccc12 ZINC001162665400 1133103118 /nfs/dbraw/zinc/10/31/18/1133103118.db2.gz FNNGYIWIWQXUNR-UHFFFAOYSA-N 0 1 257.337 3.679 20 0 CHADMN Cc1ccc(NC[C@H](O)c2cc3ccccc3o2)nc1C ZINC001162696079 1133103986 /nfs/dbraw/zinc/10/39/86/1133103986.db2.gz VBCBQLUSSKBLNN-AWEZNQCLSA-N 0 1 282.343 3.590 20 0 CHADMN Cc1ccc2c(ccnc2NCc2ccncc2C)c1 ZINC001162716035 1133105853 /nfs/dbraw/zinc/10/58/53/1133105853.db2.gz DCUKLVWSRYDPKS-UHFFFAOYSA-N 0 1 263.344 3.859 20 0 CHADMN CCOc1ccnc(N[C@H]2CCc3sccc32)c1 ZINC001162766800 1133110796 /nfs/dbraw/zinc/11/07/96/1133110796.db2.gz PONFVCCDKCLMOA-LBPRGKRZSA-N 0 1 260.362 3.641 20 0 CHADMN Oc1ccc(CC2(Nc3ccc4c(n3)CCCC4)CC2)cc1 ZINC001162729008 1133106663 /nfs/dbraw/zinc/10/66/63/1133106663.db2.gz BKNPHWTZWIAMNO-UHFFFAOYSA-N 0 1 294.398 3.853 20 0 CHADMN Cc1ccnc(NCc2ccc(C(F)(F)F)n2C)c1C ZINC001162752516 1133109090 /nfs/dbraw/zinc/10/90/90/1133109090.db2.gz UBRHOOLTLSXGOL-UHFFFAOYSA-N 0 1 283.297 3.668 20 0 CHADMN Clc1cc2nc[nH]c2nc1N[C@H]1CCc2sccc21 ZINC001162766730 1133110838 /nfs/dbraw/zinc/11/08/38/1133110838.db2.gz OGAOQJMHVYKMKJ-VIFPVBQESA-N 0 1 290.779 3.772 20 0 CHADMN Cc1c2nc[nH]c2ccc1NCc1cn(C)c2ccccc12 ZINC001162830876 1133115715 /nfs/dbraw/zinc/11/57/15/1133115715.db2.gz GTAOUAURXKGTLH-UHFFFAOYSA-N 0 1 290.370 3.975 20 0 CHADMN Cn1cc(CNc2cc3nc[nH]c3cc2F)c2ccccc21 ZINC001162834837 1133116645 /nfs/dbraw/zinc/11/66/45/1133116645.db2.gz IRQQWZVJGVQXGM-UHFFFAOYSA-N 0 1 294.333 3.806 20 0 CHADMN Cc1cc(Nc2nc(Cl)nc3[nH]cnc32)ccc1C1CC1 ZINC001163084027 1133129967 /nfs/dbraw/zinc/12/99/67/1133129967.db2.gz OCQPJRXLHVUVIK-UHFFFAOYSA-N 0 1 299.765 3.936 20 0 CHADMN N=C(Nc1cccc2n[nH]nc21)C12CC3CC(CC(C3)C1)C2 ZINC001163848135 1133179204 /nfs/dbraw/zinc/17/92/04/1133179204.db2.gz MYMJPFDNOCNORO-UHFFFAOYSA-N 0 1 295.390 3.563 20 0 CHADMN C=Cc1ncc(NC(=N)C23CC4CC(CC(C4)C2)C3)cn1 ZINC001163851451 1133179305 /nfs/dbraw/zinc/17/93/05/1133179305.db2.gz UNTXLWFJXDODLJ-UHFFFAOYSA-N 0 1 282.391 3.725 20 0 CHADMN Cc1cc2cc[nH]c2c(NCc2cc3ccccc3n2C)n1 ZINC001163931906 1133184500 /nfs/dbraw/zinc/18/45/00/1133184500.db2.gz KFJGVZUIZBVKHJ-UHFFFAOYSA-N 0 1 290.370 3.975 20 0 CHADMN C[C@@H]1c2ccccc2CCN1c1cc(Cl)nc2[nH]cnc21 ZINC001163955070 1133187901 /nfs/dbraw/zinc/18/79/01/1133187901.db2.gz KKEHRFAVWAPOLI-SNVBAGLBSA-N 0 1 298.777 3.735 20 0 CHADMN Cc1cc(NC2=CN(C(=O)OC(C)(C)C)CCC2)sn1 ZINC001213051917 1133221906 /nfs/dbraw/zinc/22/19/06/1133221906.db2.gz UTVSFPOCHVFZNE-UHFFFAOYSA-N 0 1 295.408 3.736 20 0 CHADMN Cc1cc(=NC2=CN(C(=O)OC(C)(C)C)CCC2)s[nH]1 ZINC001213051917 1133221910 /nfs/dbraw/zinc/22/19/10/1133221910.db2.gz UTVSFPOCHVFZNE-UHFFFAOYSA-N 0 1 295.408 3.736 20 0 CHADMN CCc1ccc(CN2CC[C@@H]2COCc2ccccc2)o1 ZINC001204392864 1133226360 /nfs/dbraw/zinc/22/63/60/1133226360.db2.gz MHEIQELTBPVGMZ-MRXNPFEDSA-N 0 1 285.387 3.633 20 0 CHADMN CC(C)(c1ccnc(Cl)c1)N1CCC[C@@H](C(F)F)C1 ZINC001165088894 1133229230 /nfs/dbraw/zinc/22/92/30/1133229230.db2.gz MGSXAIICCYHRGA-SNVBAGLBSA-N 0 1 288.769 3.947 20 0 CHADMN Cc1cc2ccccc2c(N2CCC3(C[C@@H]3CCO)CC2)n1 ZINC001165261774 1133234247 /nfs/dbraw/zinc/23/42/47/1133234247.db2.gz TUKXJHKRVJIETL-INIZCTEOSA-N 0 1 296.414 3.532 20 0 CHADMN CC(C)Oc1ccnc(N2CCC3(CC(F)C3)CC2)c1 ZINC001165308996 1133239011 /nfs/dbraw/zinc/23/90/11/1133239011.db2.gz KYUFVJJWOFPVHR-UHFFFAOYSA-N 0 1 278.371 3.587 20 0 CHADMN COC(C)(C)CNc1ccnc(C2(C(F)(F)F)CC2)c1 ZINC001165852709 1133253507 /nfs/dbraw/zinc/25/35/07/1133253507.db2.gz FIZUHOHNDCTYCW-UHFFFAOYSA-N 0 1 288.313 3.512 20 0 CHADMN CN(C)/C=C/c1ccncc1NC/C=C/c1ccccc1 ZINC001166153909 1133260551 /nfs/dbraw/zinc/26/05/51/1133260551.db2.gz GTDZLISVRDXATH-MGXYLZGPSA-N 0 1 279.387 3.739 20 0 CHADMN Cc1nc2cc(NCCc3ccsc3)ccc2[nH]1 ZINC001166804173 1133288805 /nfs/dbraw/zinc/28/88/05/1133288805.db2.gz XXUPAZPFVFPCFL-UHFFFAOYSA-N 0 1 257.362 3.587 20 0 CHADMN Cc1cnc(N(C)Cc2csc(C(C)C)n2)cc1C ZINC001167009348 1133298292 /nfs/dbraw/zinc/29/82/92/1133298292.db2.gz OSYPJCQRYHVJHE-UHFFFAOYSA-N 0 1 275.421 3.915 20 0 CHADMN CCCc1ccc(CN2C[C@H](C)OC[C@H]2CC)cc1 ZINC001167017125 1133299833 /nfs/dbraw/zinc/29/98/33/1133299833.db2.gz WKFFLPVCAYWZDH-WMLDXEAASA-N 0 1 261.409 3.638 20 0 CHADMN COc1cc2ccccc2cc1CNCc1ccnc(F)c1 ZINC001203288870 1133310556 /nfs/dbraw/zinc/31/05/56/1133310556.db2.gz FGQCCDDJKDIEMD-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN Cc1ncc(CNCc2ccnc(-c3ccccc3)c2)s1 ZINC001203314114 1133313331 /nfs/dbraw/zinc/31/33/31/1133313331.db2.gz JRBGYCWUVCBYOO-UHFFFAOYSA-N 0 1 295.411 3.803 20 0 CHADMN Cc1ncc(CN[C@@H]2CCCC[C@@H]2F)n1-c1ccccc1 ZINC001203314023 1133313501 /nfs/dbraw/zinc/31/35/01/1133313501.db2.gz ICFXQVMDEGTCIG-DLBZAZTESA-N 0 1 287.382 3.551 20 0 CHADMN F[C@@H]1CCCN(Cc2ccccc2Br)CC1 ZINC001203319468 1133315105 /nfs/dbraw/zinc/31/51/05/1133315105.db2.gz YCHZZNOLDOXFQF-GFCCVEGCSA-N 0 1 286.188 3.773 20 0 CHADMN CCn1ncc(Nc2ccnc3cc(OC)ccc32)c1C ZINC001203519276 1133335474 /nfs/dbraw/zinc/33/54/74/1133335474.db2.gz BQHQDSCTWMJBBP-UHFFFAOYSA-N 0 1 282.347 3.512 20 0 CHADMN Cc1ccc(C)c(CN2CC[C@@](C)(F)[C@H](F)C2)c1 ZINC001203742373 1133363490 /nfs/dbraw/zinc/36/34/90/1133363490.db2.gz CQLONCUJGWOBBD-HUUCEWRRSA-N 0 1 253.336 3.575 20 0 CHADMN CN(Cc1cccc(C(F)(F)F)c1)C1CC(F)(F)C1 ZINC001203885516 1133379447 /nfs/dbraw/zinc/37/94/47/1133379447.db2.gz PQUNYQCLYQGHCE-UHFFFAOYSA-N 0 1 279.252 3.935 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2ccc(F)cc2)cn1 ZINC001203915351 1133384874 /nfs/dbraw/zinc/38/48/74/1133384874.db2.gz QOVRRCAQWKXBGJ-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN COc1ccc(CN2CCCC(=O)[C@H](C)C2)c2ccccc12 ZINC001203991809 1133394457 /nfs/dbraw/zinc/39/44/57/1133394457.db2.gz NIGPVHUVRXWGHW-CQSZACIVSA-N 0 1 297.398 3.649 20 0 CHADMN FC(F)(F)c1ccc2c(c1)CCN(Cc1ccc[nH]1)C2 ZINC001204011030 1133399301 /nfs/dbraw/zinc/39/93/01/1133399301.db2.gz FZABKGPBCMNWMK-UHFFFAOYSA-N 0 1 280.293 3.592 20 0 CHADMN Fc1ccc(F)c(O[C@@H]2CCN(Cc3cccs3)C2)c1 ZINC001204015580 1133399389 /nfs/dbraw/zinc/39/93/89/1133399389.db2.gz ZNJOFBUYGXGOKO-GFCCVEGCSA-N 0 1 295.354 3.680 20 0 CHADMN COc1cccc([C@@H]2CCCCN2Cc2ccc[nH]2)c1 ZINC001204010673 1133400158 /nfs/dbraw/zinc/40/01/58/1133400158.db2.gz UAOKCZLTKAUEFS-KRWDZBQOSA-N 0 1 270.376 3.751 20 0 CHADMN Cc1ccc(CN2CCN(c3cccc(F)c3)CC2)s1 ZINC001204035610 1133400667 /nfs/dbraw/zinc/40/06/67/1133400667.db2.gz OIBZHJDSTVWOJO-UHFFFAOYSA-N 0 1 290.407 3.518 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1ccc2c(c1)OCO2 ZINC001204051104 1133403525 /nfs/dbraw/zinc/40/35/25/1133403525.db2.gz HOWSREDJHPYALS-CYBMUJFWSA-N 0 1 281.355 3.535 20 0 CHADMN CCOc1cc(CN2Cc3ccccc3[C@@H](C)C2)ccc1O ZINC001204128341 1133408945 /nfs/dbraw/zinc/40/89/45/1133408945.db2.gz SOLFHQDBEAJUBM-AWEZNQCLSA-N 0 1 297.398 3.910 20 0 CHADMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC001204150189 1133410381 /nfs/dbraw/zinc/41/03/81/1133410381.db2.gz AEENELVQLMOJEN-CYBMUJFWSA-N 0 1 281.355 3.504 20 0 CHADMN COc1ccc(CCN(C)Cc2cccc(F)c2F)cc1 ZINC001204198350 1133417487 /nfs/dbraw/zinc/41/74/87/1133417487.db2.gz QRUBYITZAKOXSW-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN Fc1cccc(CN2CCCc3ccccc3C2)c1F ZINC001204197752 1133417991 /nfs/dbraw/zinc/41/79/91/1133417991.db2.gz DMVYJSLOSRPKTN-UHFFFAOYSA-N 0 1 273.326 3.913 20 0 CHADMN CC1(C)CCC2(CCN(Cc3ccc(F)cc3F)CC2)O1 ZINC001204212532 1133419223 /nfs/dbraw/zinc/41/92/23/1133419223.db2.gz RTXPNVJKPNXNMN-UHFFFAOYSA-N 0 1 295.373 3.888 20 0 CHADMN Fc1ccc(F)c(CN2CCC3(CC(F)C3)CC2)c1 ZINC001204216957 1133421704 /nfs/dbraw/zinc/42/17/04/1133421704.db2.gz MZEPRBCYWPXBLR-UHFFFAOYSA-N 0 1 269.310 3.679 20 0 CHADMN Cc1cccc(OC2CCN(Cc3ccoc3)CC2)c1 ZINC001204243674 1133424365 /nfs/dbraw/zinc/42/43/65/1133424365.db2.gz FMTDQJRCOKRLNP-UHFFFAOYSA-N 0 1 271.360 3.631 20 0 CHADMN CCc1ncc(CN2CCc3ccccc3[C@H]2C(C)C)cn1 ZINC001204261907 1133427334 /nfs/dbraw/zinc/42/73/34/1133427334.db2.gz RLAIKDFGLQHWFF-LJQANCHMSA-N 0 1 295.430 3.794 20 0 CHADMN COc1ccc(CN2C3CCCC2CCC3)c(OC)c1C ZINC001204268163 1133427634 /nfs/dbraw/zinc/42/76/34/1133427634.db2.gz VCOURTZGGXPKEH-UHFFFAOYSA-N 0 1 289.419 3.919 20 0 CHADMN Fc1ccc(CN2CCC3(CCCOC3)CC2)cc1Cl ZINC001204285162 1133429093 /nfs/dbraw/zinc/42/90/93/1133429093.db2.gz NIMSAHIWZNWQEU-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN CSCCN(C)Cc1ccc(C(F)(F)F)cc1F ZINC001204471493 1133450917 /nfs/dbraw/zinc/45/09/17/1133450917.db2.gz QKCWOTDCBACWNH-UHFFFAOYSA-N 0 1 281.318 3.639 20 0 CHADMN CCCOc1ccc(CN2CCC[C@@H]2c2cnccn2)cc1 ZINC001204307118 1133433882 /nfs/dbraw/zinc/43/38/82/1133433882.db2.gz DDSVXYQYRMIVHR-GOSISDBHSA-N 0 1 297.402 3.603 20 0 CHADMN Cn1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c2ccccc21 ZINC001204319743 1133436663 /nfs/dbraw/zinc/43/66/63/1133436663.db2.gz AITRSTMYWRCYGE-YOEHRIQHSA-N 0 1 268.404 3.943 20 0 CHADMN CC(=O)n1cc(CN(C)C2CC(F)(F)C2)c2ccccc21 ZINC001204407634 1133442952 /nfs/dbraw/zinc/44/29/52/1133442952.db2.gz QIOHTVZUESUWMX-UHFFFAOYSA-N 0 1 292.329 3.531 20 0 CHADMN FC(F)Oc1ccc(CN2CCCC[C@H](F)C2)cc1 ZINC001204419412 1133443965 /nfs/dbraw/zinc/44/39/65/1133443965.db2.gz XJFCELRBXVDAKB-LBPRGKRZSA-N 0 1 273.298 3.612 20 0 CHADMN F[C@H]1CCCCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001204414817 1133444470 /nfs/dbraw/zinc/44/44/70/1133444470.db2.gz JBULSTUHQSMZMD-LBPRGKRZSA-N 0 1 291.288 3.909 20 0 CHADMN C[C@H]1CCCCN1Cc1ccccc1OC(F)(F)F ZINC001204423589 1133446020 /nfs/dbraw/zinc/44/60/20/1133446020.db2.gz JSHFHCDYKNKPDR-NSHDSACASA-N 0 1 273.298 3.960 20 0 CHADMN FC1(F)CC[C@@H]2CN(Cc3ccc(Cl)s3)C[C@@H]21 ZINC001204440639 1133447593 /nfs/dbraw/zinc/44/75/93/1133447593.db2.gz ILCMQFIVBBPKGK-SCZZXKLOSA-N 0 1 277.767 3.879 20 0 CHADMN C[C@@H](c1ccccc1)N(CCO)Cc1cc(Cl)cs1 ZINC001204449315 1133448716 /nfs/dbraw/zinc/44/87/16/1133448716.db2.gz LVURJICUDZQNFU-LBPRGKRZSA-N 0 1 295.835 3.957 20 0 CHADMN Cc1c(F)cccc1CN1CCN(C)C[C@@H]1c1ccccc1 ZINC001204507143 1133454854 /nfs/dbraw/zinc/45/48/54/1133454854.db2.gz SVMSNXZJQNKXOE-LJQANCHMSA-N 0 1 298.405 3.623 20 0 CHADMN Cc1c(F)cccc1CN1CC[C@@H](C(F)(F)F)C1 ZINC001204512788 1133454938 /nfs/dbraw/zinc/45/49/38/1133454938.db2.gz MYAPGIJDSAWSKV-LLVKDONJSA-N 0 1 261.262 3.518 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccc(C)nc2)oc1C ZINC001204535877 1133459044 /nfs/dbraw/zinc/45/90/44/1133459044.db2.gz ABCMEZKSQGDSPR-QGZVFWFLSA-N 0 1 270.376 3.937 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@H]2Cc2ccccc2)c(F)c1 ZINC001204579109 1133463909 /nfs/dbraw/zinc/46/39/09/1133463909.db2.gz GEOSXMSHCVDJMS-KRWDZBQOSA-N 0 1 269.363 3.951 20 0 CHADMN Cc1c(C[N@H+]2CCCC[C@@H]2c2ccccc2F)cnn1C ZINC001204570242 1133464189 /nfs/dbraw/zinc/46/41/89/1133464189.db2.gz HLZXHEXGUHBUSG-QGZVFWFLSA-N 0 1 287.382 3.595 20 0 CHADMN Cc1c(CN2CCCC[C@@H]2c2ccccc2F)cnn1C ZINC001204570242 1133464193 /nfs/dbraw/zinc/46/41/93/1133464193.db2.gz HLZXHEXGUHBUSG-QGZVFWFLSA-N 0 1 287.382 3.595 20 0 CHADMN COc1ncc(C[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)s1 ZINC001204650195 1133471473 /nfs/dbraw/zinc/47/14/73/1133471473.db2.gz DCVNVRRXHQCZOZ-TZMCWYRMSA-N 0 1 288.416 3.530 20 0 CHADMN CC(C)c1ccc(Cl)c(-c2cc3c(nn2)CNC3)c1 ZINC001204679229 1133474929 /nfs/dbraw/zinc/47/49/29/1133474929.db2.gz AFDBHRDCFXQOTN-UHFFFAOYSA-N 0 1 273.767 3.524 20 0 CHADMN C[C@@H]1CCc2nc(CN3CC[C@@H](C)[C@@H](C)C3)sc2C1 ZINC001204767997 1133482954 /nfs/dbraw/zinc/48/29/54/1133482954.db2.gz FNFWYBOHRRKXBC-UPJWGTAASA-N 0 1 278.465 3.746 20 0 CHADMN COc1cnc(F)c(CN(C)C2CCC(C)(C)CC2)c1 ZINC001204776527 1133484313 /nfs/dbraw/zinc/48/43/13/1133484313.db2.gz PIHRMDBVKDOBQL-UHFFFAOYSA-N 0 1 280.387 3.630 20 0 CHADMN FC1CC2(C1)CCCN(Cc1nc3ccccc3[nH]1)CC2 ZINC001204794428 1133486504 /nfs/dbraw/zinc/48/65/04/1133486504.db2.gz YBGWWTCYZAGFJK-UHFFFAOYSA-N 0 1 287.382 3.667 20 0 CHADMN CN[C@H](c1nc(-c2cc(C)c(F)c(C)c2)no1)C(C)(C)C ZINC001204887973 1133496057 /nfs/dbraw/zinc/49/60/57/1133496057.db2.gz FNMALDDGSSTFEU-CYBMUJFWSA-N 0 1 291.370 3.799 20 0 CHADMN COc1ccc(CN2Cc3ccccc3[C@H](C)C2)c(F)c1 ZINC001204900486 1133498626 /nfs/dbraw/zinc/49/86/26/1133498626.db2.gz YBSNIHMLMJTARB-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN COc1ccc(CN2CCC3(CC[C@H](F)C3)CC2)c(F)c1 ZINC001204934125 1133503030 /nfs/dbraw/zinc/50/30/30/1133503030.db2.gz QKRMXAGZXANZRO-AWEZNQCLSA-N 0 1 295.373 3.939 20 0 CHADMN Cc1cc(-c2ccc(CO)c(C)c2C)cc2nc[nH]c21 ZINC001204962259 1133508570 /nfs/dbraw/zinc/50/85/70/1133508570.db2.gz GELFHYHPSFRWFD-UHFFFAOYSA-N 0 1 266.344 3.647 20 0 CHADMN CC(C)[C@@H]1CCN1Cc1cccc(OC2CC2)c1F ZINC001204975471 1133510461 /nfs/dbraw/zinc/51/04/61/1133510461.db2.gz JUUWQSNZPHETGL-AWEZNQCLSA-N 0 1 263.356 3.597 20 0 CHADMN Cc1c(C)c(-c2ccc(F)c(CN(C)C)c2)ccc1CO ZINC001204998991 1133515294 /nfs/dbraw/zinc/51/52/94/1133515294.db2.gz YXZMXFQKPOWEEW-UHFFFAOYSA-N 0 1 287.378 3.663 20 0 CHADMN Cc1cccc(CN2CCCC(F)(F)[C@@H](F)C2)c1C ZINC001205067767 1133523019 /nfs/dbraw/zinc/52/30/19/1133523019.db2.gz ZHEORDCDQAYMKL-AWEZNQCLSA-N 0 1 271.326 3.873 20 0 CHADMN COc1ccccc1CN(C)Cc1cccc(C)c1C ZINC001205082792 1133525380 /nfs/dbraw/zinc/52/53/80/1133525380.db2.gz MCLOSVQAQQYJEW-UHFFFAOYSA-N 0 1 269.388 3.944 20 0 CHADMN Cc1cc(CN2CCN(C)C[C@H]2c2ccccc2)ccc1F ZINC001205155345 1133537038 /nfs/dbraw/zinc/53/70/38/1133537038.db2.gz ZNIIZOYXXCOLNK-IBGZPJMESA-N 0 1 298.405 3.623 20 0 CHADMN Cc1ccc(CN2CCC[C@H](C(F)F)C2)cc1F ZINC001205236657 1133549146 /nfs/dbraw/zinc/54/91/46/1133549146.db2.gz SQTDRWJNAQDEMB-LBPRGKRZSA-N 0 1 257.299 3.611 20 0 CHADMN Cc1ccc(CN(C)CCC(=O)c2cccs2)cc1F ZINC001205243502 1133549502 /nfs/dbraw/zinc/54/95/02/1133549502.db2.gz GWWPCUGGPFRPPT-UHFFFAOYSA-N 0 1 291.391 3.900 20 0 CHADMN C[C@@H]1CC[C@H](NCc2nc(-c3ccccc3)no2)C[C@H]1C ZINC001205298527 1133557428 /nfs/dbraw/zinc/55/74/28/1133557428.db2.gz DXHFMPIHHUKMOW-NFAWXSAZSA-N 0 1 285.391 3.651 20 0 CHADMN c1nc2c(ccnc2-c2ccc(Oc3ccccc3)nc2)[nH]1 ZINC001205323481 1133561281 /nfs/dbraw/zinc/56/12/81/1133561281.db2.gz LYRFUMXIEABISE-UHFFFAOYSA-N 0 1 288.310 3.812 20 0 CHADMN c1nc2cc[nH]c(-c3ccc(Oc4ccccc4)nc3)c-2n1 ZINC001205323481 1133561284 /nfs/dbraw/zinc/56/12/84/1133561284.db2.gz LYRFUMXIEABISE-UHFFFAOYSA-N 0 1 288.310 3.812 20 0 CHADMN C[C@@H]1COc2ccccc2CN1Cc1ccc2[nH]ccc2c1 ZINC001205391827 1133572931 /nfs/dbraw/zinc/57/29/31/1133572931.db2.gz UKSDMMSIRFSIFP-CQSZACIVSA-N 0 1 292.382 3.951 20 0 CHADMN CCc1cccc2cc(CN3CCOCC4(CC4)C3)oc21 ZINC001205390589 1133573341 /nfs/dbraw/zinc/57/33/41/1133573341.db2.gz BISIEFCOVBKMHE-UHFFFAOYSA-N 0 1 285.387 3.608 20 0 CHADMN CSC(C)(C)CCN1CCC=C(Br)C1 ZINC001205523500 1133585031 /nfs/dbraw/zinc/58/50/31/1133585031.db2.gz ZMLJBODDQPBQMU-UHFFFAOYSA-N 0 1 278.259 3.503 20 0 CHADMN Clc1ccc(CN2CC[C@@H](OC3CCCC3)C2)cc1 ZINC001205566437 1133588388 /nfs/dbraw/zinc/58/83/88/1133588388.db2.gz CYLXXSBTNHVWQB-MRXNPFEDSA-N 0 1 279.811 3.874 20 0 CHADMN CC[C@@H](C)N(CC(=O)OC)C[C@@H](C)c1cccc(Cl)c1 ZINC001205562724 1133587914 /nfs/dbraw/zinc/58/79/14/1133587914.db2.gz VZEKFQRBQSIUFM-CHWSQXEVSA-N 0 1 297.826 3.717 20 0 CHADMN Clc1ccc(C[N@H+]2CC[C@@H](OC3CCCC3)C2)cc1 ZINC001205566437 1133588383 /nfs/dbraw/zinc/58/83/83/1133588383.db2.gz CYLXXSBTNHVWQB-MRXNPFEDSA-N 0 1 279.811 3.874 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3nccn3C3CC3)C2)cc1 ZINC001205568498 1133589899 /nfs/dbraw/zinc/58/98/99/1133589899.db2.gz JOOHQYDDIALQNN-NVXWUHKLSA-N 0 1 295.430 3.904 20 0 CHADMN CC(C)(C)c1ccc(CC[N@H+]2CCOCC2(C)C)cc1 ZINC001205628925 1133596099 /nfs/dbraw/zinc/59/60/99/1133596099.db2.gz OVJAXZNNUQKKQU-UHFFFAOYSA-N 0 1 275.436 3.637 20 0 CHADMN CC(C)(C)c1ccc(CCN2CCOCC2(C)C)cc1 ZINC001205628925 1133596100 /nfs/dbraw/zinc/59/61/00/1133596100.db2.gz OVJAXZNNUQKKQU-UHFFFAOYSA-N 0 1 275.436 3.637 20 0 CHADMN COc1cncc(CN(C)Cc2cc(C)cc(C)c2)c1C ZINC001205656046 1133600219 /nfs/dbraw/zinc/60/02/19/1133600219.db2.gz KKRBGPWZORKSBN-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H](C(=O)c3ccccc3)C2)c1 ZINC001205662156 1133600269 /nfs/dbraw/zinc/60/02/69/1133600269.db2.gz YRRIIBUUGQTOSM-MRXNPFEDSA-N 0 1 297.373 3.839 20 0 CHADMN Fc1ccc(-c2cc3[nH]nnc3cc2F)c(Cl)c1F ZINC001205681859 1133602092 /nfs/dbraw/zinc/60/20/92/1133602092.db2.gz ISXGETCYJXZRBE-UHFFFAOYSA-N 0 1 283.640 3.696 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1snc(OC)c1Cl ZINC001205703117 1133604763 /nfs/dbraw/zinc/60/47/63/1133604763.db2.gz WLJTYAGUTNQRQU-BDAKNGLRSA-N 0 1 274.817 3.568 20 0 CHADMN CSc1ccccc1[C@@H]1CCCN1Cc1cnoc1 ZINC001205723787 1133605730 /nfs/dbraw/zinc/60/57/30/1133605730.db2.gz CEASJXBQKYZDNG-AWEZNQCLSA-N 0 1 274.389 3.734 20 0 CHADMN Oc1ccc2cc(-c3cccn4cncc34)ccc2c1 ZINC001205777070 1133612444 /nfs/dbraw/zinc/61/24/44/1133612444.db2.gz AHFPWAPLIALBFT-UHFFFAOYSA-N 0 1 260.296 3.860 20 0 CHADMN Clc1cncc(CNc2ccc3c(n2)CCC3)c1Cl ZINC001205849114 1133622505 /nfs/dbraw/zinc/62/25/05/1133622505.db2.gz LXFADSUYEKVIDE-UHFFFAOYSA-N 0 1 294.185 3.884 20 0 CHADMN CSc1ccc(F)cc1-c1ccc(CN(C)C)cn1 ZINC001205962337 1133635090 /nfs/dbraw/zinc/63/50/90/1133635090.db2.gz KYVNLVHHJQDWKB-UHFFFAOYSA-N 0 1 276.380 3.671 20 0 CHADMN Fc1ccc(Cl)cc1CN1CCC2(CCCO2)CC1 ZINC001206020313 1133642318 /nfs/dbraw/zinc/64/23/18/1133642318.db2.gz OCXLJUCWGVRUAM-UHFFFAOYSA-N 0 1 283.774 3.624 20 0 CHADMN Oc1ccc(-c2ccc(C3=NCCC3)cc2)c(F)c1 ZINC001206052026 1133649577 /nfs/dbraw/zinc/64/95/77/1133649577.db2.gz XYKHKYNNXHDMPO-UHFFFAOYSA-N 0 1 255.292 3.781 20 0 CHADMN CC(C)Oc1cc(-c2ccc3cncn3c2)ccc1F ZINC001206178776 1133667220 /nfs/dbraw/zinc/66/72/20/1133667220.db2.gz BBAXMFUFTUDOPT-UHFFFAOYSA-N 0 1 270.307 3.928 20 0 CHADMN Cc1nc(C)c(CN2CCOC[C@H]2C2CCCCC2)s1 ZINC001206192101 1133669511 /nfs/dbraw/zinc/66/95/11/1133669511.db2.gz HCKQSEHSMZGMHR-HNNXBMFYSA-N 0 1 294.464 3.541 20 0 CHADMN Cc1ccccc1-n1cc(CN2CC(C3CCCC3)C2)cn1 ZINC001206195460 1133670261 /nfs/dbraw/zinc/67/02/61/1133670261.db2.gz VJBLERVTSITZPC-UHFFFAOYSA-N 0 1 295.430 3.803 20 0 CHADMN C[C@H](c1cccc2ccccc21)N(C)Cc1ccnn1C ZINC001206364944 1133694554 /nfs/dbraw/zinc/69/45/54/1133694554.db2.gz AELZYKVHLHNIIC-CQSZACIVSA-N 0 1 279.387 3.766 20 0 CHADMN CC1(C)c2ccccc2CCN1Cc1ccnn1CC1CC1 ZINC001206385066 1133697735 /nfs/dbraw/zinc/69/77/35/1133697735.db2.gz RMUYMIVCLYLGJM-UHFFFAOYSA-N 0 1 295.430 3.587 20 0 CHADMN [O-]c1ccc(F)c(C[NH2+]C[C@H]2CC3CCC2CC3)c1F ZINC001206400715 1133698460 /nfs/dbraw/zinc/69/84/60/1133698460.db2.gz KPALQSHBCDKQPR-HTAVTVPLSA-N 0 1 281.346 3.586 20 0 CHADMN COc1cnccc1CN(Cc1ccccc1)C(C)C ZINC001206437911 1133702833 /nfs/dbraw/zinc/70/28/33/1133702833.db2.gz FYMKDOGRLMRPIP-UHFFFAOYSA-N 0 1 270.376 3.501 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(Br)cn2)C[C@@H]1C ZINC001206499444 1133710730 /nfs/dbraw/zinc/71/07/30/1133710730.db2.gz DHPLLXOQIPVQKQ-NEPJUHHUSA-N 0 1 297.240 3.712 20 0 CHADMN Fc1cc(-c2cc(N3CCCCC3)ccn2)cc2n[nH]cc21 ZINC001206558030 1133718555 /nfs/dbraw/zinc/71/85/55/1133718555.db2.gz YBYUAMUWPOMHBW-UHFFFAOYSA-N 0 1 296.349 3.754 20 0 CHADMN CC[C@@H]1CO[C@@H](CC)CN1Cc1ccc2c(c1)CCCC2 ZINC001206569597 1133719959 /nfs/dbraw/zinc/71/99/59/1133719959.db2.gz XCIRFAAZBZSPHN-MOPGFXCFSA-N 0 1 287.447 3.955 20 0 CHADMN Oc1cc(F)c(-c2cc(C(F)F)ccn2)cc1F ZINC001206762000 1133743290 /nfs/dbraw/zinc/74/32/90/1133743290.db2.gz TVVJJAPSHKZBNZ-UHFFFAOYSA-N 0 1 257.186 3.670 20 0 CHADMN CC(C)(C)C(F)(F)CNC1CCC2(CSC2)CC1 ZINC001206763385 1133744629 /nfs/dbraw/zinc/74/46/29/1133744629.db2.gz YLQAKCCUACLFEG-UHFFFAOYSA-N 0 1 277.424 3.933 20 0 CHADMN COc1cc(C)ccc1CN1CC[C@@H]1c1ccccc1 ZINC001206769198 1133745381 /nfs/dbraw/zinc/74/53/81/1133745381.db2.gz FNDQGGNVAINJAA-QGZVFWFLSA-N 0 1 267.372 3.951 20 0 CHADMN Fc1ccc2ccc(CN3CC(CC4CC4)C3)nc2c1F ZINC001206779376 1133748402 /nfs/dbraw/zinc/74/84/02/1133748402.db2.gz GJBCALBKGKITBD-UHFFFAOYSA-N 0 1 288.341 3.745 20 0 CHADMN Fc1cnccc1CN1CC[C@H](c2ccccc2Cl)C1 ZINC001206786496 1133748897 /nfs/dbraw/zinc/74/88/97/1133748897.db2.gz XXTGBMYMQQUWIG-LBPRGKRZSA-N 0 1 290.769 3.864 20 0 CHADMN CCN(CCc1ccc(OC)cc1)Cc1csc(C)n1 ZINC001206805801 1133751124 /nfs/dbraw/zinc/75/11/24/1133751124.db2.gz NTGVNKWMAGVEGG-UHFFFAOYSA-N 0 1 290.432 3.525 20 0 CHADMN COc1ccc(-c2cc(CN(C)CCC3CC3)no2)cc1 ZINC001206829545 1133753424 /nfs/dbraw/zinc/75/34/24/1133753424.db2.gz KKBJPJNNSXXRFN-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1cncc(F)c1 ZINC001207023291 1133759943 /nfs/dbraw/zinc/75/99/43/1133759943.db2.gz CTDWQWGKRZHOCG-MRXNPFEDSA-N 0 1 258.340 3.804 20 0 CHADMN Fc1cccnc1C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001207034778 1133760877 /nfs/dbraw/zinc/76/08/77/1133760877.db2.gz XTAYWCADWHYMPU-INIZCTEOSA-N 0 1 284.378 3.990 20 0 CHADMN CN(CCc1cccc(Cl)c1)Cc1ncc2ccccn21 ZINC001207052937 1133762921 /nfs/dbraw/zinc/76/29/21/1133762921.db2.gz HFQPHBCZQBJCNG-UHFFFAOYSA-N 0 1 299.805 3.662 20 0 CHADMN c1nc(CN2CCC[C@H](c3ccccc3)C2)n2ccccc12 ZINC001207050484 1133763661 /nfs/dbraw/zinc/76/36/61/1133763661.db2.gz ALDBSVWOIGOCIW-KRWDZBQOSA-N 0 1 291.398 3.714 20 0 CHADMN CC(C)Cc1ccc(CN2CC(c3ccccc3)C2)cn1 ZINC001207110020 1133767729 /nfs/dbraw/zinc/76/77/29/1133767729.db2.gz BHASTPBXIFGYJH-UHFFFAOYSA-N 0 1 280.415 3.880 20 0 CHADMN CC[C@@H]1CCN(Cc2c(F)cccc2OC(F)F)C1 ZINC001207116633 1133768323 /nfs/dbraw/zinc/76/83/23/1133768323.db2.gz WOEVGMSJPOVPFV-SNVBAGLBSA-N 0 1 273.298 3.659 20 0 CHADMN Fc1cccc(OC(F)F)c1CN1CCCCC12CC2 ZINC001207119072 1133769154 /nfs/dbraw/zinc/76/91/54/1133769154.db2.gz XXXAYGMSQNLYAN-UHFFFAOYSA-N 0 1 285.309 3.946 20 0 CHADMN CC(C)n1nccc1CN1CCC(c2cccc(O)c2)CC1 ZINC001207176358 1133775486 /nfs/dbraw/zinc/77/54/86/1133775486.db2.gz SQLKBFPFGYVQAK-UHFFFAOYSA-N 0 1 299.418 3.549 20 0 CHADMN Clc1ccc([C@@H]2C[C@@H]2CN2CCOCC23CCC3)cc1 ZINC001207193204 1133778908 /nfs/dbraw/zinc/77/89/08/1133778908.db2.gz SDUMENGRMLEKIM-ZBFHGGJFSA-N 0 1 291.822 3.698 20 0 CHADMN Clc1ccc([C@H]2C[C@H]2CN2CCOCC23CCC3)cc1 ZINC001207193202 1133778997 /nfs/dbraw/zinc/77/89/97/1133778997.db2.gz SDUMENGRMLEKIM-GOEBONIOSA-N 0 1 291.822 3.698 20 0 CHADMN CC(=O)CN(C)CC(C)(C)Sc1ccc(Cl)cc1 ZINC001207295638 1133790735 /nfs/dbraw/zinc/79/07/35/1133790735.db2.gz XHTRKWDIKDEVTH-UHFFFAOYSA-N 0 1 285.840 3.732 20 0 CHADMN C[C@H]1CCC[C@H](C)N1CCc1c(Cl)ncnc1Cl ZINC001207323945 1133791597 /nfs/dbraw/zinc/79/15/97/1133791597.db2.gz KDNZPPCBTODCNS-UWVGGRQHSA-N 0 1 288.222 3.589 20 0 CHADMN Cc1cc([C@@H]2CCCN2CC2CCC(F)(F)CC2)no1 ZINC001207344740 1133793236 /nfs/dbraw/zinc/79/32/36/1133793236.db2.gz SPLMQANGKTUQNJ-AWEZNQCLSA-N 0 1 284.350 3.945 20 0 CHADMN CC(C)C1CC(NCc2noc3c2CC(C)(C)CC3)C1 ZINC001207414334 1133799337 /nfs/dbraw/zinc/79/93/37/1133799337.db2.gz GJTCWEZPCVAFNH-UHFFFAOYSA-N 0 1 276.424 3.714 20 0 CHADMN CCN(Cc1ncc(Br)cc1F)C(C)(C)C ZINC001329521933 1133804546 /nfs/dbraw/zinc/80/45/46/1133804546.db2.gz MPFFEYYLNCZQGP-UHFFFAOYSA-N 0 1 289.192 3.604 20 0 CHADMN Cc1cccc(CC[N@H+]2CCC[C@H]2c2nccs2)c1 ZINC001207537897 1133818394 /nfs/dbraw/zinc/81/83/94/1133818394.db2.gz JXVMYYUNZCMMMZ-HNNXBMFYSA-N 0 1 272.417 3.831 20 0 CHADMN Cc1cccc(C)c1CN(C)Cc1c(C2CCC2)cnn1C ZINC001207679391 1133837498 /nfs/dbraw/zinc/83/74/98/1133837498.db2.gz MXPQPMNHBRANQX-UHFFFAOYSA-N 0 1 297.446 3.936 20 0 CHADMN CC(C)c1ccc(C[C@@H](C)CN2C[C@H]3CC[C@@H]2CO3)cc1 ZINC001207936447 1133865583 /nfs/dbraw/zinc/86/55/83/1133865583.db2.gz GWBOZKPFTLZZOB-ATZDWAIDSA-N 0 1 287.447 3.852 20 0 CHADMN CC(C)c1ccc(C[C@H](C)CN2CCn3nccc3C2)cc1 ZINC001207937288 1133866558 /nfs/dbraw/zinc/86/65/58/1133866558.db2.gz PTHUKKOQQBKONH-INIZCTEOSA-N 0 1 297.446 3.701 20 0 CHADMN CC[C@@H]1CO[C@@](C)(CCC(C)C)N1CCCn1cccn1 ZINC001208079878 1133875422 /nfs/dbraw/zinc/87/54/22/1133875422.db2.gz XYZBUEYXRXROBU-SJORKVTESA-N 0 1 293.455 3.536 20 0 CHADMN CS[C@@H](C)CCN1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001208152215 1133885979 /nfs/dbraw/zinc/88/59/79/1133885979.db2.gz FMKBDXLWQSLKDY-XJKSGUPXSA-N 0 1 297.439 3.515 20 0 CHADMN CS[C@H](C)CCN(C)Cc1ccc(F)cc1F ZINC001208155677 1133888811 /nfs/dbraw/zinc/88/88/11/1133888811.db2.gz SJSMSQKHIATSJX-SNVBAGLBSA-N 0 1 259.365 3.538 20 0 CHADMN Cc1ccc([C@H](C)CCN2CCc3ncsc3C2)o1 ZINC001208158317 1133890169 /nfs/dbraw/zinc/89/01/69/1133890169.db2.gz XNMOJNDJJMYOFH-LLVKDONJSA-N 0 1 276.405 3.596 20 0 CHADMN C[C@@H](CN1CCC(=O)[C@H](C)C1)c1cccc2ccccc21 ZINC001208707308 1133932786 /nfs/dbraw/zinc/93/27/86/1133932786.db2.gz RMPCMCJSHRFVNC-LSDHHAIUSA-N 0 1 281.399 3.854 20 0 CHADMN C[C@@H](CN1CCC(=O)C[C@@H]1C)c1cccc2ccccc21 ZINC001208705681 1133933402 /nfs/dbraw/zinc/93/34/02/1133933402.db2.gz JYQYTRHAPNQPRM-GJZGRUSLSA-N 0 1 281.399 3.997 20 0 CHADMN C[C@@H](CN1CC2(C1)CCCO2)c1cccc2ccccc21 ZINC001208707830 1133933639 /nfs/dbraw/zinc/93/36/39/1133933639.db2.gz UJJNSVIORCVCDH-HNNXBMFYSA-N 0 1 281.399 3.808 20 0 CHADMN CC(C)CCCN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001208736450 1133938912 /nfs/dbraw/zinc/93/89/12/1133938912.db2.gz GVGNYKAPYFVZPW-GFCCVEGCSA-N 0 1 275.318 3.779 20 0 CHADMN Cc1cc(NC2=CC[N@@H+](C)CC2)c(C)cc1Cl ZINC001208844124 1133949523 /nfs/dbraw/zinc/94/95/23/1133949523.db2.gz MBNYMKSBYBEFCW-UHFFFAOYSA-N 0 1 250.773 3.588 20 0 CHADMN COc1cc(NC2=CCN(c3ccccc3)CC2)ncc1C ZINC001209056726 1133971142 /nfs/dbraw/zinc/97/11/42/1133971142.db2.gz HFBMEPPFAOPQEF-UHFFFAOYSA-N 0 1 295.386 3.605 20 0 CHADMN Clc1ccc2c(c1)CCN(CCCc1cccnc1)C2 ZINC001209180471 1133985316 /nfs/dbraw/zinc/98/53/16/1133985316.db2.gz ZXTHJXFHRTYMJQ-UHFFFAOYSA-N 0 1 286.806 3.726 20 0 CHADMN Clc1ccc2c(c1)CN(CCCc1cccnc1)CC2 ZINC001209177908 1133985614 /nfs/dbraw/zinc/98/56/14/1133985614.db2.gz SWDUHKAMWHPLRH-UHFFFAOYSA-N 0 1 286.806 3.726 20 0 CHADMN Cc1ccc2[nH]cc(CN3CCC(=O)[C@@H]4CCCC[C@@H]43)c2c1 ZINC001209489542 1134027627 /nfs/dbraw/zinc/02/76/27/1134027627.db2.gz JJFIOGUSSIDOSY-QAPCUYQASA-N 0 1 296.414 3.810 20 0 CHADMN Cc1ccc2[nH]cc(CN(C)Cc3cccnc3)c2c1 ZINC001209490186 1134027813 /nfs/dbraw/zinc/02/78/13/1134027813.db2.gz RLWABRXUUUFUJN-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN Cc1ncccc1CN(C)Cc1ccc2cc[nH]c2c1 ZINC001209513758 1134033026 /nfs/dbraw/zinc/03/30/26/1134033026.db2.gz AYJGTJPDBJOCIE-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN CCCC1CCN(Cc2cc(F)c(O)c(OC)c2)CC1 ZINC001209533382 1134033835 /nfs/dbraw/zinc/03/38/35/1134033835.db2.gz KOUDKPSRYHRIJV-UHFFFAOYSA-N 0 1 281.371 3.552 20 0 CHADMN c1ncc(CN(Cc2ccccc2)C2CCC2)s1 ZINC001209550883 1134036302 /nfs/dbraw/zinc/03/63/02/1134036302.db2.gz NPJTYPXFZDWUAO-UHFFFAOYSA-N 0 1 258.390 3.698 20 0 CHADMN Cc1n[nH]cc1CN1CCCC[C@H]1c1ccccc1F ZINC001209555924 1134037026 /nfs/dbraw/zinc/03/70/26/1134037026.db2.gz MTVCLOMTHVLIQB-INIZCTEOSA-N 0 1 273.355 3.584 20 0 CHADMN Clc1cnc2[nH]cc(CN3CC4(C3)CCCC4)c2c1 ZINC001209598612 1134040538 /nfs/dbraw/zinc/04/05/38/1134040538.db2.gz JLBURZIQQYINNB-UHFFFAOYSA-N 0 1 275.783 3.592 20 0 CHADMN Cc1cc(Cl)ncc1CN1CC[C@@H](C)C(F)(F)CC1 ZINC001209631834 1134044111 /nfs/dbraw/zinc/04/41/11/1134044111.db2.gz QRWURMMVZXMABU-LLVKDONJSA-N 0 1 288.769 3.911 20 0 CHADMN COc1cc(CN2C[C@@H]3CCC[C@H]3C2)c(F)cc1Cl ZINC001209662063 1134048750 /nfs/dbraw/zinc/04/87/50/1134048750.db2.gz JFJUEFHRLBWRRN-QWRGUYRKSA-N 0 1 283.774 3.720 20 0 CHADMN Clc1ccc2[nH]c(C[N@H+]3CCC[C@@]34CCOC4)cc2c1 ZINC001209721059 1134054285 /nfs/dbraw/zinc/05/42/85/1134054285.db2.gz BHOJXJZLIFKHOP-INIZCTEOSA-N 0 1 290.794 3.576 20 0 CHADMN Clc1ccc2[nH]nc(C[N@@H+]3CC4CCC3CC4)c2c1 ZINC001209754951 1134056930 /nfs/dbraw/zinc/05/69/30/1134056930.db2.gz GLEKFSOAIUTWFU-UHFFFAOYSA-N 0 1 275.783 3.591 20 0 CHADMN Clc1ccc2[nH]nc(C[N@H+]3CC4CCC3CC4)c2c1 ZINC001209754951 1134056936 /nfs/dbraw/zinc/05/69/36/1134056936.db2.gz GLEKFSOAIUTWFU-UHFFFAOYSA-N 0 1 275.783 3.591 20 0 CHADMN Clc1ccc2[nH]nc(CN3CC4CCC3CC4)c2c1 ZINC001209754951 1134056940 /nfs/dbraw/zinc/05/69/40/1134056940.db2.gz GLEKFSOAIUTWFU-UHFFFAOYSA-N 0 1 275.783 3.591 20 0 CHADMN Clc1ccc2n[nH]c(CN3CC4CCC3CC4)c2c1 ZINC001209754951 1134056947 /nfs/dbraw/zinc/05/69/47/1134056947.db2.gz GLEKFSOAIUTWFU-UHFFFAOYSA-N 0 1 275.783 3.591 20 0 CHADMN COc1ccc2oc(CN(C)C3CC(F)(F)C3)cc2c1 ZINC001209766396 1134060820 /nfs/dbraw/zinc/06/08/20/1134060820.db2.gz DLXZHOVNBCDAKQ-UHFFFAOYSA-N 0 1 281.302 3.671 20 0 CHADMN Clc1ccc2n[nH]c(CN3CCCCC34CC4)c2c1 ZINC001209759533 1134061371 /nfs/dbraw/zinc/06/13/71/1134061371.db2.gz PNJIZTCJXUYTEH-UHFFFAOYSA-N 0 1 275.783 3.735 20 0 CHADMN Cc1cccc2c1CN(Cc1ccccc1N(C)C)C2 ZINC001209772935 1134063297 /nfs/dbraw/zinc/06/32/97/1134063297.db2.gz NANOCFSTBLKHGK-UHFFFAOYSA-N 0 1 266.388 3.577 20 0 CHADMN CSc1ccccc1[C@@H]1CCCN1Cc1cnccn1 ZINC001209788144 1134064888 /nfs/dbraw/zinc/06/48/88/1134064888.db2.gz JRTTYCKBNADHGP-HNNXBMFYSA-N 0 1 285.416 3.536 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc(OC(C)C)cc3F)c2c1 ZINC001209833225 1134073808 /nfs/dbraw/zinc/07/38/08/1134073808.db2.gz XSOIJMGHQMRTDW-UHFFFAOYSA-N 0 1 299.349 3.842 20 0 CHADMN c1nc2ccc(Nc3nccc4ccccc43)cc2[nH]1 ZINC001209841577 1134078110 /nfs/dbraw/zinc/07/81/10/1134078110.db2.gz WAAYTWSAHXMRFP-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN c1nc2ccc(Nc3snnc3-c3ccccc3)cc2[nH]1 ZINC001209842383 1134078285 /nfs/dbraw/zinc/07/82/85/1134078285.db2.gz IXFSIXCZPMDOAY-UHFFFAOYSA-N 0 1 293.355 3.825 20 0 CHADMN CC(C)(C)c1cncc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209847253 1134080045 /nfs/dbraw/zinc/08/00/45/1134080045.db2.gz AFUCRFGSWZMZAQ-UHFFFAOYSA-N 0 1 266.348 3.999 20 0 CHADMN COC(=O)c1ccc(C)c(Nc2ccc3nc[nH]c3c2)c1C ZINC001209848190 1134081741 /nfs/dbraw/zinc/08/17/41/1134081741.db2.gz HIULAHMMYPOYLT-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN COC(=O)c1cc(C)c(Nc2ccc3nc[nH]c3c2)c(C)c1 ZINC001209849238 1134083008 /nfs/dbraw/zinc/08/30/08/1134083008.db2.gz VGYXXRHJKXWRHF-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1cc(Nc2ccc3nc[nH]c3c2)n(CC2CCC2)n1 ZINC001209849159 1134083239 /nfs/dbraw/zinc/08/32/39/1134083239.db2.gz UYMIGSLZXLTHKW-UHFFFAOYSA-N 0 1 281.363 3.612 20 0 CHADMN CC(=O)c1cc(C)ccc1Nc1ccc2nc[nH]c2c1 ZINC001209850317 1134083742 /nfs/dbraw/zinc/08/37/42/1134083742.db2.gz KYPUNMPVCHOSHY-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN Fc1cccc2cc(Nc3ccc4nc[nH]c4c3)cnc12 ZINC001209848900 1134083927 /nfs/dbraw/zinc/08/39/27/1134083927.db2.gz SUCDPJZHGNOLMV-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN COc1cc(F)c(F)cc1Nc1ccc2nc[nH]c2c1 ZINC001209849349 1134084157 /nfs/dbraw/zinc/08/41/57/1134084157.db2.gz XMOUGDLCAIVDPO-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN Cc1c(Cl)ccc(N)c1Nc1ccc2nc[nH]c2c1 ZINC001209848909 1134084241 /nfs/dbraw/zinc/08/42/41/1134084241.db2.gz PJEINHZHIPRXQS-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Brc1ncc(Nc2ccc3nc[nH]c3c2)s1 ZINC001209848762 1134084492 /nfs/dbraw/zinc/08/44/92/1134084492.db2.gz RJUXTJNJJYTTQR-UHFFFAOYSA-N 0 1 295.165 3.526 20 0 CHADMN Cc1cc(Nc2ccc3nc[nH]c3c2)cc(F)c1F ZINC001209850825 1134084809 /nfs/dbraw/zinc/08/48/09/1134084809.db2.gz NYYLHAKYXOMABY-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN c1nc2ccc(Nc3cccc(C4CCC4)n3)cc2[nH]1 ZINC001209848524 1134085095 /nfs/dbraw/zinc/08/50/95/1134085095.db2.gz PPCXULVIDHKQEU-UHFFFAOYSA-N 0 1 264.332 3.969 20 0 CHADMN O=C([O-])c1cc(F)cc(Nc2cccc3cc[nH+]cc32)c1 ZINC001209889725 1134095268 /nfs/dbraw/zinc/09/52/68/1134095268.db2.gz QSFOTWOKRTZMBP-UHFFFAOYSA-N 0 1 282.274 3.816 20 0 CHADMN O=C([O-])c1cc(F)cc(Nc2ccc3c[nH+]ccc3c2)c1 ZINC001209888350 1134095520 /nfs/dbraw/zinc/09/55/20/1134095520.db2.gz BCVQEZYEXLETCI-UHFFFAOYSA-N 0 1 282.274 3.816 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(Cl)cc(Cl)c1O ZINC001209968682 1134111365 /nfs/dbraw/zinc/11/13/65/1134111365.db2.gz AOKAGWOAMJTWIR-UHFFFAOYSA-N 0 1 284.146 3.728 20 0 CHADMN C=Cc1ccccc1Nc1cc(C)nn1-c1ccncc1 ZINC001209943901 1134105482 /nfs/dbraw/zinc/10/54/82/1134105482.db2.gz VDEMJRZSCQQBTK-UHFFFAOYSA-N 0 1 276.343 3.962 20 0 CHADMN COc1cc(Nc2cccc([C@H](C)OC)c2)ncc1C ZINC001209948794 1134107437 /nfs/dbraw/zinc/10/74/37/1134107437.db2.gz JFHZNZMLULYFKH-LBPRGKRZSA-N 0 1 272.348 3.850 20 0 CHADMN CCC[C@@H](C)c1cc(Nc2cnc(N)cc2C)on1 ZINC001209961239 1134110765 /nfs/dbraw/zinc/11/07/65/1134110765.db2.gz FBXAFHLRKXQQMZ-SECBINFHSA-N 0 1 260.341 3.607 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc(C(F)(F)F)c1F ZINC001209967698 1134110957 /nfs/dbraw/zinc/11/09/57/1134110957.db2.gz QRUAMGWAJRHYGS-UHFFFAOYSA-N 0 1 285.244 3.874 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(Oc2ccccc2)nc1 ZINC001209967082 1134111492 /nfs/dbraw/zinc/11/14/92/1134111492.db2.gz HICRVGYTBXELBH-UHFFFAOYSA-N 0 1 292.342 3.903 20 0 CHADMN COc1ccc(-n2cccc2)c(Nc2cnc(N)cc2C)c1 ZINC001209966854 1134111512 /nfs/dbraw/zinc/11/15/12/1134111512.db2.gz GLAKHZBZGFZYCN-UHFFFAOYSA-N 0 1 294.358 3.515 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(Br)cc1C ZINC001209966122 1134111683 /nfs/dbraw/zinc/11/16/83/1134111683.db2.gz ULWUEUDUCKLEDP-UHFFFAOYSA-N 0 1 292.180 3.787 20 0 CHADMN Cc1cc(N)ncc1Nc1cnc2cc(Cl)ccc2c1 ZINC001209965578 1134111771 /nfs/dbraw/zinc/11/17/71/1134111771.db2.gz VXSMKEJKKXOGCN-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc2nccc(Cl)c2c1 ZINC001209970966 1134112457 /nfs/dbraw/zinc/11/24/57/1134112457.db2.gz MCLAZWGLVHKJQB-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(Oc2nccs2)cc1 ZINC001209970064 1134112465 /nfs/dbraw/zinc/11/24/65/1134112465.db2.gz SIEQZJJSVGENRT-UHFFFAOYSA-N 0 1 298.371 3.965 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(F)cc1OC(C)C ZINC001209970730 1134112485 /nfs/dbraw/zinc/11/24/85/1134112485.db2.gz BBDSAONPNCYODL-UHFFFAOYSA-N 0 1 275.327 3.642 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(F)ccc1C(F)(F)F ZINC001209969295 1134112995 /nfs/dbraw/zinc/11/29/95/1134112995.db2.gz KPURLEWRZKPDEX-UHFFFAOYSA-N 0 1 285.244 3.874 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc(F)c1OC(C)C ZINC001209971185 1134113020 /nfs/dbraw/zinc/11/30/20/1134113020.db2.gz SIAIZKHADRPQCJ-UHFFFAOYSA-N 0 1 275.327 3.642 20 0 CHADMN Cc1cc(N)ncc1Nc1ccccc1-c1cccnc1 ZINC001209970728 1134113030 /nfs/dbraw/zinc/11/30/30/1134113030.db2.gz AZAKJONRGABBED-UHFFFAOYSA-N 0 1 276.343 3.778 20 0 CHADMN Cc1ccc2nc(N)n(C3=CCC(F)(F)CC3)c2c1 ZINC001210028906 1134127477 /nfs/dbraw/zinc/12/74/77/1134127477.db2.gz WBELPSJUNWYVHG-UHFFFAOYSA-N 0 1 263.291 3.587 20 0 CHADMN Cc1cc(Nc2cnc3cccc(C)n23)ccc1N(C)C ZINC001210043676 1134133643 /nfs/dbraw/zinc/13/36/43/1134133643.db2.gz YHHMUKJETKLGRB-UHFFFAOYSA-N 0 1 280.375 3.761 20 0 CHADMN c1cc(Nc2ccc3cnccc3c2)n(-c2ccncc2)n1 ZINC001210047157 1134133964 /nfs/dbraw/zinc/13/39/64/1134133964.db2.gz OBOHBAZGTPFILC-UHFFFAOYSA-N 0 1 287.326 3.559 20 0 CHADMN Cc1nc2c[nH]cc(-c3cccc(OCC4CC4)c3)c-2n1 ZINC001210050357 1134136260 /nfs/dbraw/zinc/13/62/60/1134136260.db2.gz DKJNIOKYAXVELX-UHFFFAOYSA-N 0 1 279.343 3.722 20 0 CHADMN Cc1nc2c(cncc2-c2cccc(OCC3CC3)c2)[nH]1 ZINC001210050357 1134136264 /nfs/dbraw/zinc/13/62/64/1134136264.db2.gz DKJNIOKYAXVELX-UHFFFAOYSA-N 0 1 279.343 3.722 20 0 CHADMN c1ncn2cccc(-c3cccc(OCC4CC4)c3)c12 ZINC001210052563 1134136944 /nfs/dbraw/zinc/13/69/44/1134136944.db2.gz XNODOTWUQBHWDR-UHFFFAOYSA-N 0 1 264.328 3.790 20 0 CHADMN Cc1ccc(Nc2cc3cn[nH]c3cc2C)cc1O ZINC001210102933 1134146434 /nfs/dbraw/zinc/14/64/34/1134146434.db2.gz RHUABAFINRPDGS-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN CC(=O)c1ccc(Nc2cc3cn[nH]c3cc2C)c(F)c1 ZINC001210105149 1134147728 /nfs/dbraw/zinc/14/77/28/1134147728.db2.gz NCNCNZIQQHNTGD-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2cncnc2c1 ZINC001210105187 1134147888 /nfs/dbraw/zinc/14/78/88/1134147888.db2.gz PHSWOLLEFOWRIE-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN CC(=O)c1cccc(O)c1Nc1cc2cn[nH]c2cc1C ZINC001210105201 1134148156 /nfs/dbraw/zinc/14/81/56/1134148156.db2.gz QEOKQKBWJOZMDD-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN CC(=O)Oc1ccc(F)c(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210107316 1134148709 /nfs/dbraw/zinc/14/87/09/1134148709.db2.gz YOXZDUPDCYTQLP-UHFFFAOYSA-N 0 1 299.305 3.679 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2c(c1)N(C)CC2 ZINC001210105868 1134148911 /nfs/dbraw/zinc/14/89/11/1134148911.db2.gz JOVYUWYORIHLAC-UHFFFAOYSA-N 0 1 278.359 3.607 20 0 CHADMN Cc1c(F)c(F)ccc1Nc1ccc2nccn2c1 ZINC001210129883 1134154271 /nfs/dbraw/zinc/15/42/71/1134154271.db2.gz PUIQHIWAHRNLSW-UHFFFAOYSA-N 0 1 259.259 3.665 20 0 CHADMN CC1(C)CCC(=Nc2cccc3c2C(=O)N=NC3=O)CC1 ZINC001210166251 1134159351 /nfs/dbraw/zinc/15/93/51/1134159351.db2.gz PWCDOTVLDFJNRB-UHFFFAOYSA-N 0 1 283.331 3.939 20 0 CHADMN c1cc(Nc2cccc3ccncc32)n(-c2ccncc2)n1 ZINC001210225976 1134172434 /nfs/dbraw/zinc/17/24/34/1134172434.db2.gz OZMQZMSQENDEAV-UHFFFAOYSA-N 0 1 287.326 3.559 20 0 CHADMN Cn1cncc1Nc1ccccc1Cc1ccccc1 ZINC001210628419 1134263919 /nfs/dbraw/zinc/26/39/19/1134263919.db2.gz DEXBUPOUPFSONL-UHFFFAOYSA-N 0 1 263.344 3.755 20 0 CHADMN Cc1cc(Nc2cc(O)ccc2F)c2ccccc2n1 ZINC001210798596 1134296481 /nfs/dbraw/zinc/29/64/81/1134296481.db2.gz GSNWDUMTEBOCSR-UHFFFAOYSA-N 0 1 268.291 3.553 20 0 CHADMN CCC(C)=Nc1c(OC)cc(Br)cc1OC ZINC001210798770 1134297634 /nfs/dbraw/zinc/29/76/34/1134297634.db2.gz ZEZWEQVRYHGCLL-VMPITWQZSA-N 0 1 286.169 3.802 20 0 CHADMN Oc1c(Cl)cc(Nc2ccc(F)cn2)cc1Cl ZINC001210923211 1134328176 /nfs/dbraw/zinc/32/81/76/1134328176.db2.gz NCWSVULSONYUGM-UHFFFAOYSA-N 0 1 273.094 3.977 20 0 CHADMN Oc1c(Cl)cc(Nc2ncncc2Cl)cc1Cl ZINC001210922990 1134327642 /nfs/dbraw/zinc/32/76/42/1134327642.db2.gz HAKFDQMJOIQLGR-UHFFFAOYSA-N 0 1 290.537 3.886 20 0 CHADMN Cc1cnc(Nc2cc(Cl)c(O)c(Cl)c2)nc1C ZINC001210923109 1134328006 /nfs/dbraw/zinc/32/80/06/1134328006.db2.gz JYYLJWWTDWBNEY-UHFFFAOYSA-N 0 1 284.146 3.849 20 0 CHADMN CCn1nccc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210922834 1134328553 /nfs/dbraw/zinc/32/85/53/1134328553.db2.gz FESNCZJPCKZIMO-UHFFFAOYSA-N 0 1 272.135 3.659 20 0 CHADMN Oc1c(Cl)cc(Nc2cnccc2F)cc1Cl ZINC001210927649 1134329604 /nfs/dbraw/zinc/32/96/04/1134329604.db2.gz STHIRVUQWTXBEI-UHFFFAOYSA-N 0 1 273.094 3.977 20 0 CHADMN Cc1cc(Nc2c[nH]c3ncccc23)c2ccccc2n1 ZINC001210938353 1134331835 /nfs/dbraw/zinc/33/18/35/1134331835.db2.gz FQFOQAOPNGXNGB-UHFFFAOYSA-N 0 1 274.327 3.585 20 0 CHADMN C=C(Nc1cc(Cl)nc(OC)c1)c1ccccc1 ZINC001210982950 1134342278 /nfs/dbraw/zinc/34/22/78/1134342278.db2.gz KKUIWDJNVJDWDX-UHFFFAOYSA-N 0 1 260.724 3.826 20 0 CHADMN COC(=O)c1ccc(N=C(C)c2ccccc2)cc1C ZINC001210985799 1134342594 /nfs/dbraw/zinc/34/25/94/1134342594.db2.gz XVERLUVXVWRJLI-UHFFFAOYSA-N 0 1 267.328 3.864 20 0 CHADMN CC(=Nc1ccc2nnsc2c1)c1ccccc1 ZINC001210990899 1134344890 /nfs/dbraw/zinc/34/48/90/1134344890.db2.gz LYCMGBYTJYQOHI-UHFFFAOYSA-N 0 1 253.330 3.774 20 0 CHADMN CC(=Nc1cccc2c1NC(=O)CC2)c1ccccc1 ZINC001210991498 1134345133 /nfs/dbraw/zinc/34/51/33/1134345133.db2.gz XGHQIQKJOCCYBB-UHFFFAOYSA-N 0 1 264.328 3.654 20 0 CHADMN CSc1cncc(Nc2c(C)nc3ccc(F)cn32)c1 ZINC001211071014 1134361381 /nfs/dbraw/zinc/36/13/81/1134361381.db2.gz ORXSUVYKQJHBRL-UHFFFAOYSA-N 0 1 288.351 3.642 20 0 CHADMN O=c1cc(Nc2cccc(-c3cccnc3)c2)nc(Cl)[nH]1 ZINC001211143913 1134380303 /nfs/dbraw/zinc/38/03/03/1134380303.db2.gz HMKAWDSQHBEBED-UHFFFAOYSA-N 0 1 298.733 3.641 20 0 CHADMN Cc1nc(-c2ccc(Nc3cncn3C)cc2)cs1 ZINC001211249628 1134399210 /nfs/dbraw/zinc/39/92/10/1134399210.db2.gz XCJIGHGVPHOUJQ-UHFFFAOYSA-N 0 1 270.361 3.596 20 0 CHADMN Cn1cncc1Nc1cccc(Oc2cccc(N)c2)c1 ZINC001211252148 1134399733 /nfs/dbraw/zinc/39/97/33/1134399733.db2.gz BPKJDZOQOPBDGA-UHFFFAOYSA-N 0 1 280.331 3.538 20 0 CHADMN Cn1cncc1Nc1cccc2cccc(Cl)c21 ZINC001211253236 1134399808 /nfs/dbraw/zinc/39/98/08/1134399808.db2.gz BOYYVZWSCKJVEN-UHFFFAOYSA-N 0 1 257.724 3.970 20 0 CHADMN [O-]c1cc(F)c(-c2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC001211349807 1134411167 /nfs/dbraw/zinc/41/11/67/1134411167.db2.gz GUVVFYZLJOEKKX-UHFFFAOYSA-N 0 1 289.325 3.933 20 0 CHADMN [O-]c1cc(F)c(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cc1F ZINC001211350225 1134411842 /nfs/dbraw/zinc/41/18/42/1134411842.db2.gz PBMXCXLBHBOURL-HNNXBMFYSA-N 0 1 275.298 3.762 20 0 CHADMN Cc1nc2cc(Nc3cc(F)c(F)cc3O)ccc2[nH]1 ZINC001213075148 1134420146 /nfs/dbraw/zinc/42/01/46/1134420146.db2.gz GIWJATRLNMBNRY-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN COc1cc(C)c(Nc2ccc3[nH]c(C)nc3c2)cc1OC ZINC001213074473 1134420197 /nfs/dbraw/zinc/42/01/97/1134420197.db2.gz WEBPCIKZQLGHHJ-UHFFFAOYSA-N 0 1 297.358 3.941 20 0 CHADMN Cc1nc2ccc(Nc3ncccc3OC(F)F)cc2[nH]1 ZINC001213072375 1134420301 /nfs/dbraw/zinc/42/03/01/1134420301.db2.gz PTOFSTZMHZJBHD-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN COc1ccc(F)cc1Nc1ccc2[nH]c(C)nc2c1 ZINC001213074420 1134420414 /nfs/dbraw/zinc/42/04/14/1134420414.db2.gz UDWPTTTUKNISQG-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1nc2cc(Nc3ccc4c(c3)nn(C)c4C)ccc2[nH]1 ZINC001213074366 1134420717 /nfs/dbraw/zinc/42/07/17/1134420717.db2.gz RECWCWRFMAZAMG-UHFFFAOYSA-N 0 1 291.358 3.810 20 0 CHADMN Cc1nc2ccc(Nc3cn4c(cccc4Cl)n3)cc2[nH]1 ZINC001213072436 1134421333 /nfs/dbraw/zinc/42/13/33/1134421333.db2.gz SZMFKNKNJVKHGZ-UHFFFAOYSA-N 0 1 297.749 3.916 20 0 CHADMN COC(=O)c1cccc(Nc2ccc3[nH]c(C)nc3c2)c1C ZINC001213073082 1134421809 /nfs/dbraw/zinc/42/18/09/1134421809.db2.gz CTKOBXFTJOMTBZ-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1nc2cc(Nc3cc(C)ccc3CCCO)ccc2[nH]1 ZINC001213076193 1134422794 /nfs/dbraw/zinc/42/27/94/1134422794.db2.gz KMWLWAPMWBWZRA-UHFFFAOYSA-N 0 1 295.386 3.848 20 0 CHADMN Cc1nc2cc(Nc3cccc(O)c3Cl)ccc2[nH]1 ZINC001213075484 1134423213 /nfs/dbraw/zinc/42/32/13/1134423213.db2.gz UJFWDNFSNIMPEU-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN CC(C)COc1ccccc1-n1c(N)nc2ccccc21 ZINC001213249741 1134437438 /nfs/dbraw/zinc/43/74/38/1134437438.db2.gz KEZNNMZAJULKAO-UHFFFAOYSA-N 0 1 281.359 3.643 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cc(F)c(O)c(F)c1 ZINC001213377342 1134444956 /nfs/dbraw/zinc/44/49/56/1134444956.db2.gz KFOAHWYHHIWVTG-UHFFFAOYSA-N 0 1 293.248 3.509 20 0 CHADMN O=c1cc(Nc2ccc(C3CC3)cc2F)nc(Cl)[nH]1 ZINC001213457579 1134450067 /nfs/dbraw/zinc/45/00/67/1134450067.db2.gz ZBTLLIVMDQAFRW-UHFFFAOYSA-N 0 1 279.702 3.596 20 0 CHADMN Cc1cc(-c2noc(-c3cc(Cl)[nH]n3)n2)ccc1Cl ZINC001213501009 1134456006 /nfs/dbraw/zinc/45/60/06/1134456006.db2.gz WUWYVFTUADPGNQ-UHFFFAOYSA-N 0 1 295.129 3.742 20 0 CHADMN O=C([O-])CCc1ccc(Nc2ccc3c[nH+]ccc3c2)cc1 ZINC001213627501 1134470302 /nfs/dbraw/zinc/47/03/02/1134470302.db2.gz IWFJDZNVAKPMLI-UHFFFAOYSA-N 0 1 292.338 3.996 20 0 CHADMN Cc1ncn(C)c1Nc1cccc(OCC(C)C)c1 ZINC001213639786 1134472045 /nfs/dbraw/zinc/47/20/45/1134472045.db2.gz FSBPYTDBPFPTKD-UHFFFAOYSA-N 0 1 259.353 3.507 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)CN2CCC(C)CC2)cc1 ZINC000301492599 1134478407 /nfs/dbraw/zinc/47/84/07/1134478407.db2.gz NGQQMXOHJSHYHM-OAHLLOKOSA-N 0 1 288.435 3.871 20 0 CHADMN Cc1cc2cc(-n3c(N)nc4c3cccc4C)ccc2[nH]1 ZINC001213784992 1134483879 /nfs/dbraw/zinc/48/38/79/1134483879.db2.gz LHYAHMHSYDNFKG-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN Cc1ncn(-c2ccc(-c3ccc(C)cc3)cc2)c1N ZINC001213924774 1134498014 /nfs/dbraw/zinc/49/80/14/1134498014.db2.gz PZQFOPYMZFINOF-UHFFFAOYSA-N 0 1 263.344 3.738 20 0 CHADMN CCOc1cccc(CN2CCC[C@H](C(F)(F)F)C2)c1 ZINC000179619015 1134553168 /nfs/dbraw/zinc/55/31/68/1134553168.db2.gz SNVHANORUILESS-ZDUSSCGKSA-N 0 1 287.325 3.860 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccnn2CC2CCC2)c1F ZINC001214797911 1134574362 /nfs/dbraw/zinc/57/43/62/1134574362.db2.gz JJPMTROAIHYDGW-UHFFFAOYSA-N 0 1 295.745 3.925 20 0 CHADMN CC(=O)c1cc(Nc2ccc(Cl)c(O)c2F)ccc1O ZINC001214801148 1134574641 /nfs/dbraw/zinc/57/46/41/1134574641.db2.gz AUZIKAPZMOCYBP-UHFFFAOYSA-N 0 1 295.697 3.837 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccc3c(c2)OCO3)c1F ZINC001214798465 1134574702 /nfs/dbraw/zinc/57/47/02/1134574702.db2.gz SQPDPUAHKZTIEO-UHFFFAOYSA-N 0 1 281.670 3.657 20 0 CHADMN Oc1ccc(Nc2ccc(Cl)c(O)c2F)cc1 ZINC001214799537 1134575763 /nfs/dbraw/zinc/57/57/63/1134575763.db2.gz XLMXIWRNCYFHFG-UHFFFAOYSA-N 0 1 253.660 3.634 20 0 CHADMN CC(=O)c1ccc(Nc2cc(O)c(F)c(F)c2)c(F)c1F ZINC001214987356 1134591476 /nfs/dbraw/zinc/59/14/76/1134591476.db2.gz BRMNHPGNGCJCRO-UHFFFAOYSA-N 0 1 299.223 3.895 20 0 CHADMN Cc1nnc(Nc2cc(C)c(Cl)cc2Cl)o1 ZINC001215095276 1134597393 /nfs/dbraw/zinc/59/73/93/1134597393.db2.gz VAGUMCFKPLJNJZ-UHFFFAOYSA-N 0 1 258.108 3.737 20 0 CHADMN CN(C)c1ccc(N[C@H]2CCCc3[nH]ncc32)cc1Cl ZINC000401536851 1134615513 /nfs/dbraw/zinc/61/55/13/1134615513.db2.gz FOEOMCWUHHNGGW-ZDUSSCGKSA-N 0 1 290.798 3.619 20 0 CHADMN CSc1cccc(N[C@@H]2CCCc3[nH]ncc32)c1 ZINC000401601353 1134617730 /nfs/dbraw/zinc/61/77/30/1134617730.db2.gz FAIPBGPTUFVWEQ-CYBMUJFWSA-N 0 1 259.378 3.621 20 0 CHADMN Fc1cc(N[C@H]2CCCc3[nH]ncc32)ccc1OC(F)F ZINC000401740191 1134619324 /nfs/dbraw/zinc/61/93/24/1134619324.db2.gz SZQWZJFAOORRRV-NSHDSACASA-N 0 1 297.280 3.640 20 0 CHADMN CCCOc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000401942972 1134626706 /nfs/dbraw/zinc/62/67/06/1134626706.db2.gz NIPQUZKFZNGCIW-OAHLLOKOSA-N 0 1 271.364 3.688 20 0 CHADMN CCOc1cc(C)ccc1N[C@H]1CCCc2[nH]ncc21 ZINC000401941333 1134627148 /nfs/dbraw/zinc/62/71/48/1134627148.db2.gz MUPAGOVQZGACFF-ZDUSSCGKSA-N 0 1 271.364 3.606 20 0 CHADMN CSc1ccc(-n2c(N)nc3ccc(C)cc32)c(C)c1 ZINC001215473217 1134630968 /nfs/dbraw/zinc/63/09/68/1134630968.db2.gz DCJBJWJDZPAJTO-UHFFFAOYSA-N 0 1 283.400 3.946 20 0 CHADMN COCc1cc(C)c(Nc2cc(OC)c(C)cn2)c(C)c1 ZINC001215529882 1134638700 /nfs/dbraw/zinc/63/87/00/1134638700.db2.gz HRRJQJITVJCPGC-UHFFFAOYSA-N 0 1 286.375 3.905 20 0 CHADMN Cc1nc(Nc2cc3n[nH]cc3c(F)c2)sc1C ZINC001215552457 1134639289 /nfs/dbraw/zinc/63/92/89/1134639289.db2.gz NMKKBFRYHSONJB-UHFFFAOYSA-N 0 1 262.313 3.519 20 0 CHADMN CC(C)c1cc(Nc2cc3n[nH]cc3c(F)c2)on1 ZINC001215553486 1134639495 /nfs/dbraw/zinc/63/94/95/1134639495.db2.gz YRCJJNYMMQWFRA-UHFFFAOYSA-N 0 1 260.272 3.557 20 0 CHADMN COc1cnc(Cl)c(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215554043 1134639504 /nfs/dbraw/zinc/63/95/04/1134639504.db2.gz UEBNBDYGEZEZHS-UHFFFAOYSA-N 0 1 292.701 3.503 20 0 CHADMN CC(=O)c1ccsc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215554079 1134639526 /nfs/dbraw/zinc/63/95/26/1134639526.db2.gz VHJZOURRBGHUMQ-UHFFFAOYSA-N 0 1 275.308 3.710 20 0 CHADMN Cc1cccc(Nc2cc3[nH]ncc3c(F)c2)c1F ZINC001215555425 1134640365 /nfs/dbraw/zinc/64/03/65/1134640365.db2.gz WKXXAJXTYSVYET-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN C[C@@H]1CCc2cc(N)ccc2N1c1cc2[nH]ncc2c(F)c1 ZINC001215555175 1134640571 /nfs/dbraw/zinc/64/05/71/1134640571.db2.gz PLXULPYAVFEZOJ-SNVBAGLBSA-N 0 1 296.349 3.757 20 0 CHADMN CCOc1ccccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555899 1134640880 /nfs/dbraw/zinc/64/08/80/1134640880.db2.gz QGCFUHRCAQVORL-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN CC(=O)c1ccc(Nc2cc3[nH]ncc3c(F)c2)cc1 ZINC001215555277 1134640994 /nfs/dbraw/zinc/64/09/94/1134640994.db2.gz SOXXSBSTZJFMIH-UHFFFAOYSA-N 0 1 269.279 3.648 20 0 CHADMN Fc1cc(Nc2c(F)cccc2F)cc2[nH]ncc21 ZINC001215555248 1134641309 /nfs/dbraw/zinc/64/13/09/1134641309.db2.gz RILKDPRVGZIXQN-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN Cc1cc(Nc2cc3[nH]ncc3c(F)c2)cc(Cl)n1 ZINC001215555744 1134641343 /nfs/dbraw/zinc/64/13/43/1134641343.db2.gz NWCAOBNGPYNQIS-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1cc(Nc2cc3[nH]ncc3c(F)c2)c(C)cc1N ZINC001215557146 1134642628 /nfs/dbraw/zinc/64/26/28/1134642628.db2.gz RYUXSCHOQVJNQJ-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN Oc1cc(Cl)cc(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215556902 1134642818 /nfs/dbraw/zinc/64/28/18/1134642818.db2.gz MDWDUGQGZZLMQY-UHFFFAOYSA-N 0 1 277.686 3.805 20 0 CHADMN Cc1ccc(Nc2c(C)ccnc2Cl)c2cn[nH]c21 ZINC001215754159 1134673805 /nfs/dbraw/zinc/67/38/05/1134673805.db2.gz MJYRFYZENQFVCS-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1ccc(Nc2nc(C)nc3sccc32)c2cn[nH]c21 ZINC001215754277 1134673863 /nfs/dbraw/zinc/67/38/63/1134673863.db2.gz RBNXMXSLWYDPFQ-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN Cc1ccc(Nc2c(F)c(F)nc(F)c2F)c2cn[nH]c21 ZINC001215754462 1134674046 /nfs/dbraw/zinc/67/40/46/1134674046.db2.gz VBMJYSTZSQVBKO-UHFFFAOYSA-N 0 1 296.227 3.566 20 0 CHADMN Cc1ccc(Nc2cc(Cl)ncc2F)c2cn[nH]c21 ZINC001215755027 1134674816 /nfs/dbraw/zinc/67/48/16/1134674816.db2.gz FCYYXPDQFLPTBT-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1ccc(Nc2ccnc(C(C)(C)C)n2)c2cn[nH]c21 ZINC001215756584 1134674858 /nfs/dbraw/zinc/67/48/58/1134674858.db2.gz BMRMOVMAQISROS-UHFFFAOYSA-N 0 1 281.363 3.702 20 0 CHADMN Cc1ccc(Nc2ncccc2C2CC2)c2cn[nH]c21 ZINC001215755819 1134675250 /nfs/dbraw/zinc/67/52/50/1134675250.db2.gz CYWGQYAZRQLZHM-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN COc1c(F)cccc1Nc1ccc(C)c2[nH]ncc21 ZINC001215757026 1134675257 /nfs/dbraw/zinc/67/52/57/1134675257.db2.gz IXDILCSWYKCBNR-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN COCCOc1ccc(Nc2ccc(C)c3[nH]ncc32)cc1 ZINC001215756891 1134675416 /nfs/dbraw/zinc/67/54/16/1134675416.db2.gz GWFQQLLDGVEJSI-UHFFFAOYSA-N 0 1 297.358 3.640 20 0 CHADMN CCOC(=O)c1ccc(Nc2ccc(C)c3[nH]ncc32)cc1 ZINC001215758351 1134675706 /nfs/dbraw/zinc/67/57/06/1134675706.db2.gz QOYGTGLLEQFZIQ-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN Cc1cc(C)c(O)c(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215757685 1134675829 /nfs/dbraw/zinc/67/58/29/1134675829.db2.gz WFJLWZNFYVHZLV-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN COc1cc(Nc2ccc(C)c3[nH]ncc32)ccc1C ZINC001215758340 1134675898 /nfs/dbraw/zinc/67/58/98/1134675898.db2.gz QHXJZDHFTHCMMK-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1ccc(Nc2cccc([C@H](C)O)c2)c2cn[nH]c21 ZINC001215757657 1134676252 /nfs/dbraw/zinc/67/62/52/1134676252.db2.gz VCNLEFAQDXSJIW-NSHDSACASA-N 0 1 267.332 3.668 20 0 CHADMN Cc1ccc(Nc2ccnn2CC2CCC2)c2cn[nH]c21 ZINC001215757707 1134676435 /nfs/dbraw/zinc/67/64/35/1134676435.db2.gz XKQTVOUEUVGZOU-UHFFFAOYSA-N 0 1 281.363 3.612 20 0 CHADMN Cc1ccc(N2CCCc3ccc(N)cc32)c2cn[nH]c21 ZINC001215759128 1134677030 /nfs/dbraw/zinc/67/70/30/1134677030.db2.gz FTFZJTGVMFCYEF-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN COCc1ccc(Nc2ccc(C)c3[nH]ncc32)cc1 ZINC001215759831 1134677453 /nfs/dbraw/zinc/67/74/53/1134677453.db2.gz XZCNEHXQEAEDSF-UHFFFAOYSA-N 0 1 267.332 3.761 20 0 CHADMN Cc1ccc(F)c(-c2noc(-c3c(O)cccc3F)n2)c1 ZINC001215776823 1134684193 /nfs/dbraw/zinc/68/41/93/1134684193.db2.gz VKBAQYGBYUFZPK-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Oc1cc(-c2nc(-c3ccccc3)no2)ccc1Cl ZINC001215804499 1134691911 /nfs/dbraw/zinc/69/19/11/1134691911.db2.gz XSGCNNCNXNSWGE-UHFFFAOYSA-N 0 1 272.691 3.763 20 0 CHADMN CSc1cccc(F)c1-n1c(N)nc2c1cccc2C ZINC001215822140 1134694679 /nfs/dbraw/zinc/69/46/79/1134694679.db2.gz RDCZRERXIYKWOG-UHFFFAOYSA-N 0 1 287.363 3.777 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc(O)c(C(C)C)c3)c2c1 ZINC001215846412 1134701660 /nfs/dbraw/zinc/70/16/60/1134701660.db2.gz NODVCACYKKMEDV-UHFFFAOYSA-N 0 1 281.359 3.745 20 0 CHADMN Cc1cc(O)cc(Nc2cc(Cl)cc3[nH]ncc32)c1 ZINC001215861190 1134705856 /nfs/dbraw/zinc/70/58/56/1134705856.db2.gz ZMKMFIYLPVTVII-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN CN1CCc2cc(Nc3cc(Cl)cc4[nH]ncc43)ccc21 ZINC001215861378 1134706016 /nfs/dbraw/zinc/70/60/16/1134706016.db2.gz DISYLERMGZAIQY-UHFFFAOYSA-N 0 1 298.777 3.952 20 0 CHADMN CN1CCc2ccc(Nc3cc(Cl)cc4[nH]ncc43)cc21 ZINC001215862274 1134707118 /nfs/dbraw/zinc/70/71/18/1134707118.db2.gz UEXAVUKGFYEDED-UHFFFAOYSA-N 0 1 298.777 3.952 20 0 CHADMN CSc1cc(F)cc(Nc2nnc(-c3ccco3)o2)c1 ZINC001215902225 1134713531 /nfs/dbraw/zinc/71/35/31/1134713531.db2.gz JYJUCDDRFBKQGH-UHFFFAOYSA-N 0 1 291.307 3.934 20 0 CHADMN COc1cc(Nc2cncn2C)ccc1-c1ccccc1 ZINC001216006088 1134748780 /nfs/dbraw/zinc/74/87/80/1134748780.db2.gz XIWHWUVUUQLAHH-UHFFFAOYSA-N 0 1 279.343 3.839 20 0 CHADMN Cc1cc(C)nc(Nc2cc(C)cc(Cl)c2N)c1 ZINC001216088862 1134773625 /nfs/dbraw/zinc/77/36/25/1134773625.db2.gz GHMINVFZURUJLJ-UHFFFAOYSA-N 0 1 261.756 3.986 20 0 CHADMN Cc1cnc(Cl)c(Nc2cccc(CN(C)C)c2F)c1 ZINC001216227850 1134812764 /nfs/dbraw/zinc/81/27/64/1134812764.db2.gz SHUDKBDKFFCLEF-UHFFFAOYSA-N 0 1 293.773 3.988 20 0 CHADMN CSc1cc(Nc2cccc(CN(C)C)c2F)ccn1 ZINC001216228911 1134812924 /nfs/dbraw/zinc/81/29/24/1134812924.db2.gz UNHQGVVXJKVRDP-UHFFFAOYSA-N 0 1 291.395 3.748 20 0 CHADMN CN(C)Cc1cccc(Nc2cnc(C3CC3)s2)c1F ZINC001216228314 1134813178 /nfs/dbraw/zinc/81/31/78/1134813178.db2.gz AGRWXRFZHDDXGS-UHFFFAOYSA-N 0 1 291.395 3.965 20 0 CHADMN CN(C)Cc1cccc(Nc2scnc2C2CC2)c1F ZINC001216228986 1134813860 /nfs/dbraw/zinc/81/38/60/1134813860.db2.gz YIXKMWGYUUVGHB-UHFFFAOYSA-N 0 1 291.395 3.965 20 0 CHADMN CN(C)Cc1cccc(Nc2cccc3cnncc32)c1F ZINC001216231712 1134814975 /nfs/dbraw/zinc/81/49/75/1134814975.db2.gz PGDRRLXYNFDQJP-UHFFFAOYSA-N 0 1 296.349 3.574 20 0 CHADMN CN(C)Cc1cccc(Nc2cc(F)c(O)c(F)c2)c1F ZINC001216231229 1134815833 /nfs/dbraw/zinc/81/58/33/1134815833.db2.gz DICYEEFYYBXTFE-UHFFFAOYSA-N 0 1 296.292 3.615 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc3c(cnn3C)c2)c1F ZINC001216231294 1134816019 /nfs/dbraw/zinc/81/60/19/1134816019.db2.gz WYEPICRPMCEZTG-UHFFFAOYSA-N 0 1 298.365 3.518 20 0 CHADMN COc1cc(C)c(C)cc1-n1c(N)nc2ccc(C)cc21 ZINC001216372895 1134871392 /nfs/dbraw/zinc/87/13/92/1134871392.db2.gz TXQHVVJFVKJMSS-UHFFFAOYSA-N 0 1 281.359 3.542 20 0 CHADMN Fc1ccc(F)c(Nc2cncn2Cc2ccccc2)c1 ZINC001216552295 1134917756 /nfs/dbraw/zinc/91/77/56/1134917756.db2.gz MQLOSSQREITSMK-UHFFFAOYSA-N 0 1 285.297 3.953 20 0 CHADMN Oc1c(F)cccc1Nc1cncn1Cc1ccccc1 ZINC001216554141 1134920395 /nfs/dbraw/zinc/92/03/95/1134920395.db2.gz ZQFBGWLIJWCWLL-UHFFFAOYSA-N 0 1 283.306 3.520 20 0 CHADMN c1noc2c1cccc2Nc1cncn1Cc1ccccc1 ZINC001216554883 1134920489 /nfs/dbraw/zinc/92/04/89/1134920489.db2.gz PWINWABFWQBVEQ-UHFFFAOYSA-N 0 1 290.326 3.816 20 0 CHADMN c1ncn(Cc2ccccc2)c1Nc1ccc2cnoc2c1 ZINC001216553874 1134920661 /nfs/dbraw/zinc/92/06/61/1134920661.db2.gz WFDVROJCABIELJ-UHFFFAOYSA-N 0 1 290.326 3.816 20 0 CHADMN Cc1[nH+]c2c(Nc3cccc(C(=O)[O-])c3C)cccn2c1C ZINC001216660926 1134941736 /nfs/dbraw/zinc/94/17/36/1134941736.db2.gz VWRKEGIWLOJGLR-UHFFFAOYSA-N 0 1 295.342 3.701 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1cc(C)ns1)CCC2 ZINC000404320945 1134945166 /nfs/dbraw/zinc/94/51/66/1134945166.db2.gz JCEJWXOMGUHEEK-INIZCTEOSA-N 0 1 288.416 3.627 20 0 CHADMN CC(C)(C)C[C@@H]1CC[N@H+](Cc2ccc([O-])c(F)c2)C1 ZINC000307780119 1134947481 /nfs/dbraw/zinc/94/74/81/1134947481.db2.gz UEIMXDDUMZCFRJ-ZDUSSCGKSA-N 0 1 265.372 3.789 20 0 CHADMN CC(C)(C)C[C@@H]1CC[N@@H+](Cc2ccc([O-])c(F)c2)C1 ZINC000307780119 1134947484 /nfs/dbraw/zinc/94/74/84/1134947484.db2.gz UEIMXDDUMZCFRJ-ZDUSSCGKSA-N 0 1 265.372 3.789 20 0 CHADMN Cc1ccc2nc(-c3nc(-c4ccccc4F)no3)[nH]c2c1 ZINC001217257689 1134968786 /nfs/dbraw/zinc/96/87/86/1134968786.db2.gz WEJPCEVHNAQMEK-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Clc1ccccc1-c1noc(-c2cnc3ccc[nH]c2-3)n1 ZINC001217398694 1134975180 /nfs/dbraw/zinc/97/51/80/1134975180.db2.gz JDTJONBLPZSZTK-UHFFFAOYSA-N 0 1 296.717 3.933 20 0 CHADMN Cc1cnccc1-c1noc(-c2ccc3occc3c2O)n1 ZINC001217514448 1134981277 /nfs/dbraw/zinc/98/12/77/1134981277.db2.gz QGUHFYFSHIQXDC-UHFFFAOYSA-N 0 1 293.282 3.559 20 0 CHADMN Cc1ccc(-c2noc(-c3cccc4cncn43)n2)c(C)c1 ZINC001217588686 1134985282 /nfs/dbraw/zinc/98/52/82/1134985282.db2.gz ANWYTVFDQCHNRQ-UHFFFAOYSA-N 0 1 290.326 3.668 20 0 CHADMN CN[C@@H](CC(C)C)c1nnc(CCC2CCCCC2)o1 ZINC001217695953 1134988034 /nfs/dbraw/zinc/98/80/34/1134988034.db2.gz MICNQIGBPWYLKV-AWEZNQCLSA-N 0 1 279.428 3.889 20 0 CHADMN CN[C@@H](C)c1nnc(-c2ccc(Oc3ccccc3)cc2)o1 ZINC001217695039 1134988218 /nfs/dbraw/zinc/98/82/18/1134988218.db2.gz PFKHQAWEDCIVGO-LBPRGKRZSA-N 0 1 295.342 3.809 20 0 CHADMN C[C@H]1CCCN[C@H]1c1nnc(CCC2CCCCC2)o1 ZINC001217701405 1134988272 /nfs/dbraw/zinc/98/82/72/1134988272.db2.gz DMPBDVCHSLDUKW-SWLSCSKDSA-N 0 1 277.412 3.643 20 0 CHADMN Cc1cc(Cl)ccc1-c1nnc([C@H]2NCCC[C@H]2C)o1 ZINC001217701974 1134988501 /nfs/dbraw/zinc/98/85/01/1134988501.db2.gz HGVCAZJNNKXJKT-RNCFNFMXSA-N 0 1 291.782 3.759 20 0 CHADMN CN[C@H](c1nnc(Cc2cccc(Cl)c2)o1)C(C)(C)C ZINC001217736047 1134993588 /nfs/dbraw/zinc/99/35/88/1134993588.db2.gz FVITZFJRTLJKJE-CYBMUJFWSA-N 0 1 293.798 3.620 20 0 CHADMN CN[C@H](c1nnc([C@H]2C[C@H]2c2ccc(C)cc2)o1)C(C)(C)C ZINC001217736727 1134993734 /nfs/dbraw/zinc/99/37/34/1134993734.db2.gz MXDFBWFOMKELRZ-SOUVJXGZSA-N 0 1 299.418 3.956 20 0 CHADMN C[C@@H]1CCC[C@H](C)[C@H]1OCc1cccc2nc[nH]c21 ZINC001217893298 1135018674 /nfs/dbraw/zinc/01/86/74/1135018674.db2.gz MRFDFHQCVKUATM-ATCWAGBWSA-N 0 1 258.365 3.904 20 0 CHADMN N[C@@H](C(=O)Nc1ccc2cc(F)ccc2c1)c1ccccc1 ZINC001218982208 1135124675 /nfs/dbraw/zinc/12/46/75/1135124675.db2.gz OPPMKCUJSJJADX-QGZVFWFLSA-N 0 1 294.329 3.617 20 0 CHADMN C[C@H]1CC(C)(C)c2cccc(NC(=O)c3cnccc3N)c21 ZINC001219039924 1135125622 /nfs/dbraw/zinc/12/56/22/1135125622.db2.gz FSFKOCGNLRCFBD-NSHDSACASA-N 0 1 295.386 3.531 20 0 CHADMN CCC[C@H](CNCc1cc(Cl)sc1Cl)OC ZINC000312611748 1135133773 /nfs/dbraw/zinc/13/37/73/1135133773.db2.gz XKEPSOBTCIAPBE-SECBINFHSA-N 0 1 282.236 3.960 20 0 CHADMN CC(C)(C)C[C@@H](CO)NCc1cc(Cl)sc1Cl ZINC000312555695 1135134621 /nfs/dbraw/zinc/13/46/21/1135134621.db2.gz HUQDWJQYMZIXDE-VIFPVBQESA-N 0 1 296.263 3.942 20 0 CHADMN CC[C@H](C)C[C@@H](C)NC(=O)[C@H](N)c1ccc2ccccc2c1 ZINC001220240222 1135148087 /nfs/dbraw/zinc/14/80/87/1135148087.db2.gz HCLZDBMNDNXVEF-PMUMKWKESA-N 0 1 298.430 3.781 20 0 CHADMN CC(C)CCC[NH2+]Cc1cccc([O-])c1Br ZINC000315426456 1135154625 /nfs/dbraw/zinc/15/46/25/1135154625.db2.gz NDLZVHPHECAGKH-UHFFFAOYSA-N 0 1 286.213 3.681 20 0 CHADMN CCCCc1nc(Cl)c(CN2C[C@@H]3CCC[C@@H]3C2)[nH]1 ZINC000193967416 1135157770 /nfs/dbraw/zinc/15/77/70/1135157770.db2.gz QLXFKOQXUAJQSD-TXEJJXNPSA-N 0 1 281.831 3.638 20 0 CHADMN CC[C@H]1CCCN(Cc2cccc(O)c2Br)C1 ZINC000315908839 1135162727 /nfs/dbraw/zinc/16/27/27/1135162727.db2.gz PYTNVTVUPDQZLJ-NSHDSACASA-N 0 1 298.224 3.777 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2cccc(O)c2Br)C1 ZINC000315999105 1135163837 /nfs/dbraw/zinc/16/38/37/1135163837.db2.gz ZWBLBIGGRQWHFD-GHMZBOCLSA-N 0 1 298.224 3.633 20 0 CHADMN Cc1cc(-c2cncc3nc[nH]c32)c(F)cc1Cl ZINC001222233290 1135211407 /nfs/dbraw/zinc/21/14/07/1135211407.db2.gz ZZWILBOWRXEZPJ-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN FC(F)(F)Oc1cccc(-c2cc3[nH]cnc3cn2)c1 ZINC001222312379 1135224109 /nfs/dbraw/zinc/22/41/09/1135224109.db2.gz JETZRMVMWGMZGS-UHFFFAOYSA-N 0 1 279.221 3.524 20 0 CHADMN Cc1ccc(F)c(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001225353923 1135551200 /nfs/dbraw/zinc/55/12/00/1135551200.db2.gz GFXYGCWYDQTQFJ-INIZCTEOSA-N 0 1 285.362 3.787 20 0 CHADMN Clc1ccc2c(c1)CC[C@H]2Oc1cccc2[nH]nnc21 ZINC001225990674 1135648366 /nfs/dbraw/zinc/64/83/66/1135648366.db2.gz GTYUXDMFTPRUIR-CYBMUJFWSA-N 0 1 285.734 3.678 20 0 CHADMN Cc1cc(=O)[nH]c(O[C@@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC001226157046 1135669273 /nfs/dbraw/zinc/66/92/73/1135669273.db2.gz VSAHTICAVWBDDQ-VIFPVBQESA-N 0 1 298.264 3.649 20 0 CHADMN CCCCC(=O)[C@H](CCCC)Oc1n[nH]c2ncccc12 ZINC001226305131 1135682814 /nfs/dbraw/zinc/68/28/14/1135682814.db2.gz HQCNLRXCXIOUTH-AWEZNQCLSA-N 0 1 289.379 3.655 20 0 CHADMN COc1ccccc1[C@H](C)Oc1cc(N)nc2ccccc21 ZINC001226419399 1135694861 /nfs/dbraw/zinc/69/48/61/1135694861.db2.gz UYZPDFHCBKRPJO-LBPRGKRZSA-N 0 1 294.354 3.966 20 0 CHADMN Cc1ccc([C@H](C)Oc2cc(N)nc3ccccc32)cn1 ZINC001226423364 1135695769 /nfs/dbraw/zinc/69/57/69/1135695769.db2.gz WFYKOQUMUDGKDD-LBPRGKRZSA-N 0 1 279.343 3.660 20 0 CHADMN Cc1ccc2nc(O[C@@H]3CCOc4ccccc43)[nH]c2c1 ZINC001226506280 1135704862 /nfs/dbraw/zinc/70/48/62/1135704862.db2.gz NJVQSIGFJOQBTP-MRXNPFEDSA-N 0 1 280.327 3.774 20 0 CHADMN Cc1ccc2nc(O[C@H]3CCc4ccccc43)[nH]c2c1 ZINC001226506085 1135705093 /nfs/dbraw/zinc/70/50/93/1135705093.db2.gz MJFZESDJDBDURS-INIZCTEOSA-N 0 1 264.328 3.938 20 0 CHADMN CC(=O)[C@H](Oc1nc2ccc(C)cc2[nH]1)c1ccccc1 ZINC001226508995 1135705858 /nfs/dbraw/zinc/70/58/58/1135705858.db2.gz RRNSFIOBQNYOJR-INIZCTEOSA-N 0 1 280.327 3.580 20 0 CHADMN CCCCC(=O)c1ccc(O[C@H]2CN3CCC2CC3)cc1 ZINC001226771776 1135739751 /nfs/dbraw/zinc/73/97/51/1135739751.db2.gz CKPLLSFFVUGTQG-SFHVURJKSA-N 0 1 287.403 3.533 20 0 CHADMN C[C@H](Oc1ccc2nc[nH]c2c1)c1cccnc1Cl ZINC001226929160 1135763026 /nfs/dbraw/zinc/76/30/26/1135763026.db2.gz ZZBHKXCTFMAUIK-VIFPVBQESA-N 0 1 273.723 3.751 20 0 CHADMN CCN1CCC[C@@H](Oc2cc(C)c(C)cc2Cl)C1 ZINC001227123117 1135789508 /nfs/dbraw/zinc/78/95/08/1135789508.db2.gz QWJMYQMXRCUARA-CYBMUJFWSA-N 0 1 267.800 3.820 20 0 CHADMN Cc1cccc2nc(OC(C(F)(F)F)C(F)(F)F)[nH]c21 ZINC001227271308 1135813603 /nfs/dbraw/zinc/81/36/03/1135813603.db2.gz KAFMPNMSGMJTIT-UHFFFAOYSA-N 0 1 298.186 3.743 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cccc2c[nH]nc21 ZINC000354543169 529425875 /nfs/dbraw/zinc/42/58/75/529425875.db2.gz WEMHCIXHBMGDMX-IUODEOHRSA-N 0 1 285.391 3.604 20 0 CHADMN CCc1cc(NC(=O)c2cc(-c3ccco3)n[nH]2)ccc1F ZINC000355966545 529550934 /nfs/dbraw/zinc/55/09/34/529550934.db2.gz ONPZIYZQXMYZNY-UHFFFAOYSA-N 0 1 299.305 3.624 20 0 CHADMN CCn1cccc1CN(C)Cc1cccc(Cl)c1 ZINC000353724224 529547301 /nfs/dbraw/zinc/54/73/01/529547301.db2.gz VBWFLHWOTYLZSO-UHFFFAOYSA-N 0 1 262.784 3.793 20 0 CHADMN CCc1ccc(CN2CC=C(c3ccc(O)cc3)CC2)cn1 ZINC000347587094 529639385 /nfs/dbraw/zinc/63/93/85/529639385.db2.gz MIQUNSQMIHCPCI-UHFFFAOYSA-N 0 1 294.398 3.639 20 0 CHADMN CCc1ccc(CN2CCS[C@H]3CCCC[C@H]32)cn1 ZINC000347878946 529642344 /nfs/dbraw/zinc/64/23/44/529642344.db2.gz MJOCIUFUEQGIQO-CVEARBPZSA-N 0 1 276.449 3.504 20 0 CHADMN CCc1ccc(CNCc2ccc(F)c(Cl)c2)cn1 ZINC000352783823 529653745 /nfs/dbraw/zinc/65/37/45/529653745.db2.gz ZBAAZDXDGDLKHN-UHFFFAOYSA-N 0 1 278.758 3.726 20 0 CHADMN CC[C@H](N[C@@H](c1nccn1C)C1CC1)c1ccc(F)cc1 ZINC000353864019 529655230 /nfs/dbraw/zinc/65/52/30/529655230.db2.gz HYJJQOOJNQGFJS-JKSUJKDBSA-N 0 1 287.382 3.751 20 0 CHADMN CCc1ccc(CN[C@@H]2CCCOc3ccccc32)cn1 ZINC000352834559 529656114 /nfs/dbraw/zinc/65/61/14/529656114.db2.gz XSSFCIIZSGUNGL-QGZVFWFLSA-N 0 1 282.387 3.648 20 0 CHADMN COc1ccc([C@H](NC2CC(C)C2)c2ccco2)cc1 ZINC000573472037 334940397 /nfs/dbraw/zinc/94/03/97/334940397.db2.gz SJBZCMZKMAOVLL-AJUCZRQESA-N 0 1 271.360 3.766 20 0 CHADMN CN(C)c1cccnc1CN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000353626474 529796447 /nfs/dbraw/zinc/79/64/47/529796447.db2.gz IFTKFZOZVHKTEL-GOSISDBHSA-N 0 1 299.393 3.528 20 0 CHADMN CN(CCc1ccc(Cl)cc1)Cc1ccn(C(F)F)n1 ZINC000347710389 529932716 /nfs/dbraw/zinc/93/27/16/529932716.db2.gz VMFDVOOQWVUDTC-UHFFFAOYSA-N 0 1 299.752 3.606 20 0 CHADMN c1ccc(-c2noc(CN[C@H]3CCCC34CCC4)n2)cc1 ZINC000573653159 334954899 /nfs/dbraw/zinc/95/48/99/334954899.db2.gz AAAMLPWYVXBSRA-AWEZNQCLSA-N 0 1 283.375 3.549 20 0 CHADMN CN(Cc1ccncc1)Cc1cccc(-c2ccccn2)c1 ZINC000350361111 530011158 /nfs/dbraw/zinc/01/11/58/530011158.db2.gz VUWLUXHMVGACAW-UHFFFAOYSA-N 0 1 289.382 3.776 20 0 CHADMN CCC(CC)[C@H](C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000341765558 535135072 /nfs/dbraw/zinc/13/50/72/535135072.db2.gz FOJHINGSUDDOQE-JTQLQIEISA-N 0 1 259.353 3.574 20 0 CHADMN CCO[C@@H]1C[C@H]1N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000574030734 334986039 /nfs/dbraw/zinc/98/60/39/334986039.db2.gz PSNFEOGCVNXYLE-KZNAEPCWSA-N 0 1 285.362 3.682 20 0 CHADMN CC[C@@H]1CN(Cc2ccnc3ccccc23)C[C@@H](CC)O1 ZINC000574267508 335005147 /nfs/dbraw/zinc/00/51/47/335005147.db2.gz KGNFHZQARQZVRU-HZPDHXFCSA-N 0 1 284.403 3.624 20 0 CHADMN Cc1nc(CN[C@@H]2CC[C@@H](C)c3ccccc32)[nH]c1C ZINC000574292972 335008278 /nfs/dbraw/zinc/00/82/78/335008278.db2.gz VMOQASYOVQXDIB-BDJLRTHQSA-N 0 1 269.392 3.755 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(SC)s2)CCS1 ZINC000574492267 335023626 /nfs/dbraw/zinc/02/36/26/335023626.db2.gz PAOZWGDAPPCHBW-SNVBAGLBSA-N 0 1 273.492 3.797 20 0 CHADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@H](C)[C@H](C)C2CCCCC2)n1 ZINC000574581003 335031459 /nfs/dbraw/zinc/03/14/59/335031459.db2.gz LFZXLMUMIVCUFQ-MJBXVCDLSA-N 0 1 291.439 3.746 20 0 CHADMN CC1(C)CCCC[C@H]1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000574596535 335032860 /nfs/dbraw/zinc/03/28/60/335032860.db2.gz TWLWSFSJHGLKCU-AWEZNQCLSA-N 0 1 298.390 3.627 20 0 CHADMN CCOc1ccc(CN2CC(C)(C)[C@H]2C2CC2)cc1F ZINC000574676098 335038936 /nfs/dbraw/zinc/03/89/36/335038936.db2.gz UCTLDLQLUADPFC-MRXNPFEDSA-N 0 1 277.383 3.845 20 0 CHADMN CSc1ccc(F)cc1CN[C@@H](C)c1ccncc1 ZINC000350478929 532971844 /nfs/dbraw/zinc/97/18/44/532971844.db2.gz OCTMXDBPKJGMPT-NSHDSACASA-N 0 1 276.380 3.793 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)NCc2csc(C)c2)c1 ZINC000336838051 335047847 /nfs/dbraw/zinc/04/78/47/335047847.db2.gz MQJHUCSTGLYCCD-LBPRGKRZSA-N 0 1 288.416 3.866 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1cccc(OC)c1 ZINC000186083754 262079184 /nfs/dbraw/zinc/07/91/84/262079184.db2.gz ZSYBQZFGWYJVKP-LLVKDONJSA-N 0 1 277.389 3.616 20 0 CHADMN CO[C@H](C)CN(Cc1nc2c(s1)C[C@H](C)CC2)C(C)C ZINC000353802575 533081397 /nfs/dbraw/zinc/08/13/97/533081397.db2.gz BSHXWIJBPRQHGD-CHWSQXEVSA-N 0 1 296.480 3.513 20 0 CHADMN CO[C@H](C)CN(C)[C@H](C)c1cccc(Cl)c1F ZINC000353252060 533080124 /nfs/dbraw/zinc/08/01/24/533080124.db2.gz GZJZTUKSJWLYBK-NXEZZACHSA-N 0 1 259.752 3.507 20 0 CHADMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc(C(=O)[O-])ccc1Cl ZINC000574884247 335055201 /nfs/dbraw/zinc/05/52/01/335055201.db2.gz OAGRAPBVLBVQHK-MFKMUULPSA-N 0 1 281.783 3.801 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2ccnn2C)c(C)s1 ZINC000192249365 262200274 /nfs/dbraw/zinc/20/02/74/262200274.db2.gz ZAOYJJDQFJLAFZ-MNOVXSKESA-N 0 1 263.410 3.510 20 0 CHADMN CO[C@@H](C)CN(Cc1cc(-c2cccs2)on1)C(C)C ZINC000354463344 533330576 /nfs/dbraw/zinc/33/05/76/533330576.db2.gz SGANWVGXJKBGFO-LBPRGKRZSA-N 0 1 294.420 3.648 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccsc1)c1ccc(Cl)cc1 ZINC000348175332 533513437 /nfs/dbraw/zinc/51/34/37/533513437.db2.gz QNPVJIBDAWZJLR-YGRLFVJLSA-N 0 1 281.808 3.786 20 0 CHADMN C[C@@H](N[C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccco1 ZINC000335033577 533539338 /nfs/dbraw/zinc/53/93/38/533539338.db2.gz VUCYSSWOHQADCP-RISCZKNCSA-N 0 1 286.375 3.815 20 0 CHADMN CSCCCN(C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000367185221 533563130 /nfs/dbraw/zinc/56/31/30/533563130.db2.gz IKAPHZSFZYJMCE-UHFFFAOYSA-N 0 1 294.395 3.666 20 0 CHADMN COc1ccc(CN2CCc3ccccc3C2)c(C)c1OC ZINC000347639661 533570600 /nfs/dbraw/zinc/57/06/00/533570600.db2.gz RIZLVBBOKNWFLV-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN Cc1cc(CN2CC[C@H](C(C)(C)C)C[C@@H]2C)no1 ZINC000347581776 533625107 /nfs/dbraw/zinc/62/51/07/533625107.db2.gz OPWDRFSESHYENQ-AAEUAGOBSA-N 0 1 250.386 3.630 20 0 CHADMN Cc1nccc(NCc2cc3ccccc3[nH]2)c1Cl ZINC000352068177 533640171 /nfs/dbraw/zinc/64/01/71/533640171.db2.gz GVSSMLGYUBVSEF-UHFFFAOYSA-N 0 1 271.751 3.559 20 0 CHADMN Cc1cc(CN2C[C@H](C)CC[C@@H]2c2ccccc2)no1 ZINC000352794912 533633114 /nfs/dbraw/zinc/63/31/14/533633114.db2.gz SGLQCVLZCZEFCH-CXAGYDPISA-N 0 1 270.376 3.956 20 0 CHADMN COc1cc(CNC2(c3ccc(Cl)cc3)CC2)ccn1 ZINC000341875760 130102323 /nfs/dbraw/zinc/10/23/23/130102323.db2.gz JSHLTDRCTQPUPI-UHFFFAOYSA-N 0 1 288.778 3.523 20 0 CHADMN C[C@H]1CCCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000341909576 130122816 /nfs/dbraw/zinc/12/28/16/130122816.db2.gz PHWBCGQOKCFDJC-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN Cc1cnn(CCN2CCC(=Cc3ccccc3F)CC2)c1 ZINC000341896230 130138657 /nfs/dbraw/zinc/13/86/57/130138657.db2.gz YQYFTQOGOBKKFM-UHFFFAOYSA-N 0 1 299.393 3.510 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cccc3ccccc32)n1 ZINC000342017058 130200978 /nfs/dbraw/zinc/20/09/78/130200978.db2.gz DNRONCQYBOQNBL-HNNXBMFYSA-N 0 1 281.359 3.936 20 0 CHADMN Cc1ccccc1[C@H](C)[N@H+](Cc1cnc[nH]1)CC(C)C ZINC000342018915 130202226 /nfs/dbraw/zinc/20/22/26/130202226.db2.gz MGSFPNRKAITSGW-HNNXBMFYSA-N 0 1 271.408 3.937 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@]2(C1)CCCOC2 ZINC000341986978 130210308 /nfs/dbraw/zinc/21/03/08/130210308.db2.gz GIYUYWCXQNUCAJ-GUYCJALGSA-N 0 1 292.423 3.536 20 0 CHADMN Fc1ccc(CN2CCC3(CCOCC3)CC2)cc1Cl ZINC000341990434 130213637 /nfs/dbraw/zinc/21/36/37/130213637.db2.gz MYRACLDBUQANGQ-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN Fc1cc(CN2CCC[C@@H]2[C@H]2CCCO2)ccc1Cl ZINC000342055911 130224938 /nfs/dbraw/zinc/22/49/38/130224938.db2.gz ZDMGXZVLEZVWJY-HUUCEWRRSA-N 0 1 283.774 3.623 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000342073315 130237064 /nfs/dbraw/zinc/23/70/64/130237064.db2.gz OYCFSVOZMJEAFU-RYUDHWBXSA-N 0 1 270.376 3.532 20 0 CHADMN Cc1ccc([C@@H]2CCCN2[C@H](C)c2cnccn2)s1 ZINC000342180300 130314775 /nfs/dbraw/zinc/31/47/75/130314775.db2.gz AINNQSMKUHXHHJ-OCCSQVGLSA-N 0 1 273.405 3.745 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)CC(C)(C)C3CC3)ccc12 ZINC000344954750 533672310 /nfs/dbraw/zinc/67/23/10/533672310.db2.gz TXUMMXCPOVLTRZ-UHFFFAOYSA-N 0 1 271.364 3.636 20 0 CHADMN C[C@H](NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cccc(F)c1F ZINC000447594200 260067682 /nfs/dbraw/zinc/06/76/82/260067682.db2.gz XOEYUKUVSGIJGV-JSGCOSHPSA-N 0 1 294.389 3.632 20 0 CHADMN Cc1ccc(NC(=O)CN2[C@H](C)CCC[C@H]2C)cc1C ZINC000009997872 170394295 /nfs/dbraw/zinc/39/42/95/170394295.db2.gz JOVAUKKLMHIUGH-HUUCEWRRSA-N 0 1 274.408 3.505 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)cc1F)c1ccncc1 ZINC000020121420 171000294 /nfs/dbraw/zinc/00/02/94/171000294.db2.gz VLYITEYGYWXQKV-GHMZBOCLSA-N 0 1 262.303 3.772 20 0 CHADMN COc1cccc([C@@H](C)N[C@@H](C)c2ccccn2)c1 ZINC000020123407 171004455 /nfs/dbraw/zinc/00/44/55/171004455.db2.gz QCGSNYXNKNNSNI-OLZOCXBDSA-N 0 1 256.349 3.502 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccccn2)cc1F ZINC000020123775 171005125 /nfs/dbraw/zinc/00/51/25/171005125.db2.gz GJUPDRDIXFXZPH-VXGBXAGGSA-N 0 1 274.339 3.641 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1 ZINC000020124430 171007132 /nfs/dbraw/zinc/00/71/32/171007132.db2.gz FBOUZCHNHLBVSM-SNVBAGLBSA-N 0 1 291.297 3.544 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cccnc2)cc1F ZINC000020127903 171013669 /nfs/dbraw/zinc/01/36/69/171013669.db2.gz JGGPDLZIADYOMV-VXGBXAGGSA-N 0 1 274.339 3.641 20 0 CHADMN Fc1ccc(CN[C@H]2CCCc3occc32)cc1F ZINC000020203964 171068394 /nfs/dbraw/zinc/06/83/94/171068394.db2.gz IKHVSRMUULFXSQ-AWEZNQCLSA-N 0 1 263.287 3.725 20 0 CHADMN C[C@H](N[C@@H]1CCCc2occc21)c1cccc(O)c1 ZINC000020204576 171069036 /nfs/dbraw/zinc/06/90/36/171069036.db2.gz GTASSAZFGJNRGV-XHDPSFHLSA-N 0 1 257.333 3.713 20 0 CHADMN COc1ccc(CNCc2ccc3ccccc3n2)cc1 ZINC000020246239 171099171 /nfs/dbraw/zinc/09/91/71/171099171.db2.gz OUFKWFBYSKQLGL-UHFFFAOYSA-N 0 1 278.355 3.533 20 0 CHADMN Cc1ccc(F)c(NC(=O)c2ccc(O)c(Cl)c2)c1 ZINC000020363091 171162605 /nfs/dbraw/zinc/16/26/05/171162605.db2.gz AKADOAXFWVEVEC-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN Cc1cccc(NC(=O)c2ccc(Cl)cc2O)c1 ZINC000021009687 171286336 /nfs/dbraw/zinc/28/63/36/171286336.db2.gz QHDHYFVXTALXEL-UHFFFAOYSA-N 0 1 261.708 3.606 20 0 CHADMN CC(C)CCC[C@@H](C)NCc1cnn(-c2ccccc2)n1 ZINC000021517061 171313196 /nfs/dbraw/zinc/31/31/96/171313196.db2.gz JGFSFYGINKOGRN-OAHLLOKOSA-N 0 1 286.423 3.572 20 0 CHADMN COc1ccc2cc(CNCc3ccco3)ccc2c1 ZINC000022147331 171356996 /nfs/dbraw/zinc/35/69/96/171356996.db2.gz WTDBKBDDCOHLNY-UHFFFAOYSA-N 0 1 267.328 3.731 20 0 CHADMN C[C@H](NCc1cccc(Br)c1)c1ccco1 ZINC000035136798 172003851 /nfs/dbraw/zinc/00/38/51/172003851.db2.gz HSJZMDBNRXZNGL-JTQLQIEISA-N 0 1 280.165 3.893 20 0 CHADMN O=C([O-])[C@@H]1CCCC[N@H+]1CCC12CC3CC(CC(C3)C1)C2 ZINC000035298055 172112080 /nfs/dbraw/zinc/11/20/80/172112080.db2.gz OOLDDJRCPMJXIL-KUNBBXKYSA-N 0 1 291.435 3.532 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1c(C)cc(C(C)(C)C)cc1C ZINC000038024498 174007137 /nfs/dbraw/zinc/00/71/37/174007137.db2.gz ABTRZLHRYLIQJY-UHFFFAOYSA-N 0 1 291.435 3.898 20 0 CHADMN CC[C@@H](NCc1ccnc(C)n1)c1ccc(Cl)cc1 ZINC000038037432 174037676 /nfs/dbraw/zinc/03/76/76/174037676.db2.gz CZCFZHLRHFOIMI-OAHLLOKOSA-N 0 1 275.783 3.679 20 0 CHADMN CC[C@@H](NCc1nc(C)cs1)c1ccc(OC)cc1 ZINC000038090705 174103825 /nfs/dbraw/zinc/10/38/25/174103825.db2.gz RRDQZNUZDNWMBM-CQSZACIVSA-N 0 1 276.405 3.701 20 0 CHADMN C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000044390619 175170500 /nfs/dbraw/zinc/17/05/00/175170500.db2.gz FMSKKHBLKSBUDH-LLVKDONJSA-N 0 1 275.373 3.639 20 0 CHADMN c1c[nH]c([C@H]2CCCN2Cc2cnn(-c3ccccc3)c2)c1 ZINC000077171017 177230206 /nfs/dbraw/zinc/23/02/06/177230206.db2.gz CFLIQJXYULJTSX-GOSISDBHSA-N 0 1 292.386 3.538 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000078481334 177345370 /nfs/dbraw/zinc/34/53/70/177345370.db2.gz PEDIQJSDHIPJLC-MRXNPFEDSA-N 0 1 299.345 3.892 20 0 CHADMN Cc1nc(CN2CCC(C)(CC(C)C)CC2)oc1C ZINC000343995659 224907715 /nfs/dbraw/zinc/90/77/15/224907715.db2.gz RCWARRGWZWIYIH-UHFFFAOYSA-N 0 1 264.413 3.940 20 0 CHADMN c1oc(-c2ccccc2)nc1CNC[C@H]1CCCCS1 ZINC000344359439 225041497 /nfs/dbraw/zinc/04/14/97/225041497.db2.gz PMLXHVUAWZTTQH-OAHLLOKOSA-N 0 1 288.416 3.717 20 0 CHADMN C[C@H](N[C@H]1CCCc2ccc(O)cc21)c1cncc(F)c1 ZINC000334603912 225081760 /nfs/dbraw/zinc/08/17/60/225081760.db2.gz JKYBVYCBJHNGJH-GTNSWQLSSA-N 0 1 286.350 3.655 20 0 CHADMN CO[C@H](CNCc1nc(C)cs1)c1ccc(Cl)cc1 ZINC000344745185 225149379 /nfs/dbraw/zinc/14/93/79/225149379.db2.gz WIEJWKWPQBTBTI-CYBMUJFWSA-N 0 1 296.823 3.582 20 0 CHADMN C[C@H](Cc1ccncc1)NCc1csc(C(C)(C)C)n1 ZINC000344772479 225163471 /nfs/dbraw/zinc/16/34/71/225163471.db2.gz KZXBQGYLSBQJDU-GFCCVEGCSA-N 0 1 289.448 3.556 20 0 CHADMN C[C@@H](c1cccnc1)[N@H+]1CCSC2(CCC2)CC1 ZINC000334635108 225182759 /nfs/dbraw/zinc/18/27/59/225182759.db2.gz CHXJBEVMNYQOAW-ZDUSSCGKSA-N 0 1 262.422 3.504 20 0 CHADMN C[C@@]1(C(=O)Nc2cc(Cl)c(O)cc2F)CC=CCC1 ZINC000334654287 225258589 /nfs/dbraw/zinc/25/85/89/225258589.db2.gz MNTZXZPEFZFJQU-CQSZACIVSA-N 0 1 283.730 3.870 20 0 CHADMN Fc1ccccc1CN1CCC[C@@H]1c1cccnc1 ZINC000346978619 226003795 /nfs/dbraw/zinc/00/37/95/226003795.db2.gz UJHUYAUUBSYAHP-MRXNPFEDSA-N 0 1 256.324 3.558 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cncc(F)c2)s1 ZINC000347055550 226006937 /nfs/dbraw/zinc/00/69/37/226006937.db2.gz NKASWTGFMWGGSE-AWEZNQCLSA-N 0 1 276.380 3.928 20 0 CHADMN Cc1ncc(C[N@@H+](Cc2ccccc2C)C2CC2)s1 ZINC000347254877 226101790 /nfs/dbraw/zinc/10/17/90/226101790.db2.gz JUMXYMUFWQXQES-UHFFFAOYSA-N 0 1 272.417 3.925 20 0 CHADMN Cc1ncc(CN(Cc2ccccc2C)C2CC2)s1 ZINC000347254877 226101792 /nfs/dbraw/zinc/10/17/92/226101792.db2.gz JUMXYMUFWQXQES-UHFFFAOYSA-N 0 1 272.417 3.925 20 0 CHADMN Cc1ccccc1[C@@H]1CCN(Cc2ccn(C(F)F)n2)C1 ZINC000347685049 226221829 /nfs/dbraw/zinc/22/18/29/226221829.db2.gz OUBHACFWAYVQMN-CYBMUJFWSA-N 0 1 291.345 3.576 20 0 CHADMN Fc1cc(F)cc(CN2CCC[C@@H](c3ccncc3)C2)c1 ZINC000347721913 226230876 /nfs/dbraw/zinc/23/08/76/226230876.db2.gz AEJCXVDANJNBDW-OAHLLOKOSA-N 0 1 288.341 3.739 20 0 CHADMN CCc1ccc(CN2Cc3ccccc3OC(C)(C)C2)cn1 ZINC000575164595 335074338 /nfs/dbraw/zinc/07/43/38/335074338.db2.gz IDMKGONAZJNNTE-UHFFFAOYSA-N 0 1 296.414 3.817 20 0 CHADMN Cc1nocc1C[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000350393179 227005421 /nfs/dbraw/zinc/00/54/21/227005421.db2.gz MLPOWQXDNSHESO-UHFFFAOYSA-N 0 1 274.408 3.631 20 0 CHADMN FC[C@H]1CCCN1Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000354519696 227021388 /nfs/dbraw/zinc/02/13/88/227021388.db2.gz HATDXYCKPUHOAE-CQSZACIVSA-N 0 1 293.773 3.664 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@@H](c3ccccc3)C2)s1 ZINC000336463781 227037444 /nfs/dbraw/zinc/03/74/44/227037444.db2.gz XRUVYFLPKMCYFG-IUODEOHRSA-N 0 1 287.432 3.787 20 0 CHADMN Cc1cnc([C@@H](C)N2CC[C@@](C)(c3ccccc3)C2)o1 ZINC000336484754 227056641 /nfs/dbraw/zinc/05/66/41/227056641.db2.gz CCJCLOOPTFSXDT-RHSMWYFYSA-N 0 1 270.376 3.708 20 0 CHADMN Cc1oc2ccccc2c1CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000354716695 227080640 /nfs/dbraw/zinc/08/06/40/227080640.db2.gz LWNZAIIMSGOPEQ-RTBURBONSA-N 0 1 297.398 3.885 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC(C)=C(c3ccco3)C2)cn1 ZINC000336516036 227083050 /nfs/dbraw/zinc/08/30/50/227083050.db2.gz DXFSOOGGFFZTIS-CQSZACIVSA-N 0 1 283.375 3.618 20 0 CHADMN C[C@@H](c1nnc(-c2ccccc2F)s1)N1CCC[C@H]1C ZINC000336584586 227139099 /nfs/dbraw/zinc/13/90/99/227139099.db2.gz UDDOBBBZRSSRMF-MNOVXSKESA-N 0 1 291.395 3.890 20 0 CHADMN Cc1ccc2c(CCNc3cccc(C)n3)c[nH]c2c1 ZINC000354878602 227193844 /nfs/dbraw/zinc/19/38/44/227193844.db2.gz HEIJRGPSCVEXTB-UHFFFAOYSA-N 0 1 265.360 3.834 20 0 CHADMN C[C@H]1C[C@H](CN(Cc2ccco2)Cc2ccco2)CCO1 ZINC000352743457 227204464 /nfs/dbraw/zinc/20/44/64/227204464.db2.gz IBSXTUXZOCOKSA-LSDHHAIUSA-N 0 1 289.375 3.690 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1nc2ccc(Cl)cc2n1C ZINC000354996904 227297303 /nfs/dbraw/zinc/29/73/03/227297303.db2.gz XVYXQZTTYVLBRK-GHMZBOCLSA-N 0 1 277.799 3.600 20 0 CHADMN Cc1noc([C@H](C)N[C@H]2CCCCC23CCCC3)n1 ZINC000329164491 227335076 /nfs/dbraw/zinc/33/50/76/227335076.db2.gz GZMUXGDRSFZYSO-AAEUAGOBSA-N 0 1 263.385 3.532 20 0 CHADMN Oc1cc(CNCc2ccc(F)cc2)cc(C(F)(F)F)c1 ZINC000352854090 227337032 /nfs/dbraw/zinc/33/70/32/227337032.db2.gz PSZJTVQKZNEMQC-UHFFFAOYSA-N 0 1 299.267 3.840 20 0 CHADMN COc1cc([C@@H](C)NCc2ccc(SC)s2)ccn1 ZINC000352861348 227345150 /nfs/dbraw/zinc/34/51/50/227345150.db2.gz HFIIIACUQRVLCT-SNVBAGLBSA-N 0 1 294.445 3.724 20 0 CHADMN Cc1cccc2nc(CCc3nc([C@@H]4CC4(C)C)no3)[nH]c21 ZINC000355874653 228031410 /nfs/dbraw/zinc/03/14/10/228031410.db2.gz RZSVCVPPYIUYQV-NSHDSACASA-N 0 1 296.374 3.553 20 0 CHADMN Cc1ncc(CN(Cc2ccc(F)cc2)C(C)(C)C)cn1 ZINC000351892775 228015858 /nfs/dbraw/zinc/01/58/58/228015858.db2.gz UGCCZEFWXLJWAC-UHFFFAOYSA-N 0 1 287.382 3.725 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1cccc2c1OCCO2 ZINC000353408713 228097483 /nfs/dbraw/zinc/09/74/83/228097483.db2.gz UYEICFNUPUPXLT-CQSZACIVSA-N 0 1 295.382 3.577 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(C)c(F)c2)cc1O ZINC000353426399 228100534 /nfs/dbraw/zinc/10/05/34/228100534.db2.gz MESZAZICVDFSGZ-LBPRGKRZSA-N 0 1 289.350 3.699 20 0 CHADMN C[C@@H]1CSCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000353462955 228106656 /nfs/dbraw/zinc/10/66/56/228106656.db2.gz LAVDIQQAHPJQEC-SNVBAGLBSA-N 0 1 291.338 3.523 20 0 CHADMN C[C@@H]1CSCCN1Cc1ccc(OC(F)(F)F)cc1 ZINC000353462955 228106658 /nfs/dbraw/zinc/10/66/58/228106658.db2.gz LAVDIQQAHPJQEC-SNVBAGLBSA-N 0 1 291.338 3.523 20 0 CHADMN Cc1ccnc([C@H](C)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000353521708 228114562 /nfs/dbraw/zinc/11/45/62/228114562.db2.gz SCTHVZLZBVIZCI-IRXDYDNUSA-N 0 1 297.446 3.561 20 0 CHADMN Cc1nc(C)c(CN[C@@H](c2ccc(F)cn2)C(C)C)s1 ZINC000353539373 228117203 /nfs/dbraw/zinc/11/72/03/228117203.db2.gz XBBFPKYWBPRTDW-OAHLLOKOSA-N 0 1 293.411 3.781 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccccc1)c1nccc2ccccc21 ZINC000353250182 228074549 /nfs/dbraw/zinc/07/45/49/228074549.db2.gz FGJYBZTVYMPMMD-KSSFIOAISA-N 0 1 292.382 3.619 20 0 CHADMN OCCCCN(Cc1c(Cl)oc2ccccc21)C1CC1 ZINC000353558157 228120498 /nfs/dbraw/zinc/12/04/98/228120498.db2.gz WQTDFTWFJXOHJI-UHFFFAOYSA-N 0 1 293.794 3.823 20 0 CHADMN Cc1nccc(CN(C)[C@@H](c2ccc(F)cc2)C(C)C)n1 ZINC000353298765 228082450 /nfs/dbraw/zinc/08/24/50/228082450.db2.gz FNCNMTQKVJSMHP-QGZVFWFLSA-N 0 1 287.382 3.753 20 0 CHADMN COc1cccc(CN(C)[C@@H](C)c2ccccc2C)n1 ZINC000353304229 228082626 /nfs/dbraw/zinc/08/26/26/228082626.db2.gz ODZUXPUXNJWBEC-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN Cc1ccncc1C[N@@H+](C)CCOc1ccccc1Cl ZINC000353387692 228093854 /nfs/dbraw/zinc/09/38/54/228093854.db2.gz ZQQICTGZSVGXPW-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN Cc1ccncc1CN(C)CCOc1ccccc1Cl ZINC000353387692 228093856 /nfs/dbraw/zinc/09/38/56/228093856.db2.gz ZQQICTGZSVGXPW-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN COc1ccncc1CNCc1ccc2ccccc2c1 ZINC000353610933 228130452 /nfs/dbraw/zinc/13/04/52/228130452.db2.gz XJNQQSOEOHUKTF-UHFFFAOYSA-N 0 1 278.355 3.533 20 0 CHADMN C[C@H](NCc1ccc2cc[nH]c2n1)c1cc(F)cc(F)c1 ZINC000353624340 228133906 /nfs/dbraw/zinc/13/39/06/228133906.db2.gz DKXBVCQJUSKUEF-JTQLQIEISA-N 0 1 287.313 3.692 20 0 CHADMN Cc1nnc([C@H](C)NCC[C@H]2CCC[C@H](C)C2)s1 ZINC000353638414 228136998 /nfs/dbraw/zinc/13/69/98/228136998.db2.gz RHNXVVXGDZFXOM-GMXVVIOVSA-N 0 1 267.442 3.714 20 0 CHADMN Fc1cccc2c1CN(Cc1ccc3ncccc3c1)CC2 ZINC000353717780 228147172 /nfs/dbraw/zinc/14/71/72/228147172.db2.gz YVUNXLWZXPHGFF-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN C[C@H](N[C@@H]1CCC(C)(C)C1)c1noc(-c2ccccc2)n1 ZINC000332155694 228150538 /nfs/dbraw/zinc/15/05/38/228150538.db2.gz IAYUSXBLGVIWJG-GXTWGEPZSA-N 0 1 285.391 3.966 20 0 CHADMN Cc1cccc(CN(C)Cc2cccc3cc[nH]c32)n1 ZINC000353757668 228151257 /nfs/dbraw/zinc/15/12/57/228151257.db2.gz YVPOMSQGZKKMEW-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN Cc1ncsc1CN(C)CCSCc1ccccc1 ZINC000192583429 228152084 /nfs/dbraw/zinc/15/20/84/228152084.db2.gz ZVSJYIDAOQCWPI-UHFFFAOYSA-N 0 1 292.473 3.817 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](c2nccn2C)C2CC2)c(C)c1 ZINC000353864735 228160260 /nfs/dbraw/zinc/16/02/60/228160260.db2.gz JFAYCTWZMULGTP-PBHICJAKSA-N 0 1 283.419 3.839 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](c2nccn2C)C2CC2)cc1C ZINC000353863424 228160719 /nfs/dbraw/zinc/16/07/19/228160719.db2.gz GFEQAIOBANOJEC-PBHICJAKSA-N 0 1 283.419 3.839 20 0 CHADMN Cc1ccc([C@H](NCc2cnn3ccccc23)C2CCC2)o1 ZINC000353873245 228160870 /nfs/dbraw/zinc/16/08/70/228160870.db2.gz WMZLBODRQDJJCO-GOSISDBHSA-N 0 1 295.386 3.867 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](c2nccn2C)C2CC2)s1 ZINC000353882227 228162351 /nfs/dbraw/zinc/16/23/51/228162351.db2.gz RCTXRBQWDFDBCR-RISCZKNCSA-N 0 1 275.421 3.592 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cc(O)ccc1Cl ZINC000335939353 228167251 /nfs/dbraw/zinc/16/72/51/228167251.db2.gz DWHRQYGHVWKRTO-UHFFFAOYSA-N 0 1 298.125 3.657 20 0 CHADMN Cc1ncc(CN2CC[C@H](C)[C@@H]2c2cccc(F)c2)cn1 ZINC000352002108 228173760 /nfs/dbraw/zinc/17/37/60/228173760.db2.gz FAPYIVMDCJMZAN-YVEFUNNKSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1ncc(CN(Cc2ccoc2)C2CCCCC2)cn1 ZINC000352047295 228176925 /nfs/dbraw/zinc/17/69/25/228176925.db2.gz LAZJYUOQRIIJAU-UHFFFAOYSA-N 0 1 285.391 3.713 20 0 CHADMN C[C@H](c1cnccn1)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000336131987 228193680 /nfs/dbraw/zinc/19/36/80/228193680.db2.gz UBSHHNOJCWYYAF-OCCSQVGLSA-N 0 1 287.794 3.681 20 0 CHADMN C[C@H]1CCC[C@H](c2nc(-c3ccn4cncc4c3)no2)C1 ZINC000333344508 228197723 /nfs/dbraw/zinc/19/77/23/228197723.db2.gz UIUWLTQQNJQQSV-AAEUAGOBSA-N 0 1 282.347 3.678 20 0 CHADMN C[C@@]1(c2ccccc2)CCCN(Cc2ccon2)CC1 ZINC000352228905 228201768 /nfs/dbraw/zinc/20/17/68/228201768.db2.gz BIYFIDFHBYFZOQ-QGZVFWFLSA-N 0 1 270.376 3.618 20 0 CHADMN Cc1noc([C@@H](C)N[C@@H]2CCCC23CCCCC3)n1 ZINC000333600129 228206327 /nfs/dbraw/zinc/20/63/27/228206327.db2.gz VBQMOGGORAYMCH-DGCLKSJQSA-N 0 1 263.385 3.532 20 0 CHADMN Cc1oncc1CN1CCC(c2cccc(F)c2F)CC1 ZINC000336181145 228207104 /nfs/dbraw/zinc/20/71/04/228207104.db2.gz MHQYPIKRQWPPKR-UHFFFAOYSA-N 0 1 292.329 3.641 20 0 CHADMN Fc1ccccc1CNCc1ccc2occc2c1 ZINC000352256761 228207200 /nfs/dbraw/zinc/20/72/00/228207200.db2.gz LNPADQAAWNOYQS-UHFFFAOYSA-N 0 1 255.292 3.862 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c(F)cccc21)c1ccccn1 ZINC000336213403 228215134 /nfs/dbraw/zinc/21/51/34/228215134.db2.gz RCSSYSSFHLZLFU-PXAZEXFGSA-N 0 1 270.351 3.949 20 0 CHADMN C[C@@H]1CCC[C@@H](c2noc(-c3cc4cccnc4[nH]3)n2)C1 ZINC000333890734 228219003 /nfs/dbraw/zinc/21/90/03/228219003.db2.gz XAANMSNUHNCIKD-GHMZBOCLSA-N 0 1 282.347 3.907 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(C)o2)cc1F ZINC000035016752 260004230 /nfs/dbraw/zinc/00/42/30/260004230.db2.gz ZVAYDLUQDQAGCV-NSHDSACASA-N 0 1 263.312 3.587 20 0 CHADMN CCN(C(=O)c1cc(-c2ccco2)n[nH]1)c1ccccc1C ZINC000519974552 260037571 /nfs/dbraw/zinc/03/75/71/260037571.db2.gz GRNRNZMKISAANV-UHFFFAOYSA-N 0 1 295.342 3.645 20 0 CHADMN COc1ccccc1CN(C)Cc1ccc(C)s1 ZINC000179588746 260056106 /nfs/dbraw/zinc/05/61/06/260056106.db2.gz KTZPNAFADXHREH-UHFFFAOYSA-N 0 1 261.390 3.697 20 0 CHADMN CCN(Cc1cccs1)Cc1cccc(OC)c1OC ZINC000179720524 260065251 /nfs/dbraw/zinc/06/52/51/260065251.db2.gz YYZXNKRKNCBDRM-UHFFFAOYSA-N 0 1 291.416 3.787 20 0 CHADMN COc1ccc(C)cc1CN[C@@H](C)c1cccc(O)c1 ZINC000037151605 260071860 /nfs/dbraw/zinc/07/18/60/260071860.db2.gz PTMZRYOGVZYROK-ZDUSSCGKSA-N 0 1 271.360 3.560 20 0 CHADMN CCCn1cc(CN(C)[C@@H](C)c2ccc(F)cc2)cn1 ZINC000179802304 260072255 /nfs/dbraw/zinc/07/22/55/260072255.db2.gz XZFRHQGYPUMQKP-ZDUSSCGKSA-N 0 1 275.371 3.625 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(OC)cc2F)cc1 ZINC000037199102 260074085 /nfs/dbraw/zinc/07/40/85/260074085.db2.gz GWROXMKBNFYFIS-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN COc1ccccc1-c1ccc(CN2CCO[C@H](C)C2)cc1 ZINC000179865099 260078438 /nfs/dbraw/zinc/07/84/38/260078438.db2.gz OFKUPQPJOLDEBZ-OAHLLOKOSA-N 0 1 297.398 3.583 20 0 CHADMN CCC[C@H](C)N(C)Cc1nc2c(s1)CCCC2 ZINC000180297049 260098085 /nfs/dbraw/zinc/09/80/85/260098085.db2.gz MXNDWPMMVGTDJG-NSHDSACASA-N 0 1 252.427 3.642 20 0 CHADMN COc1cccc(CNCc2ccccc2OC(C)C)c1 ZINC000037486656 260109735 /nfs/dbraw/zinc/10/97/35/260109735.db2.gz YWHIYEFQFOIHEM-UHFFFAOYSA-N 0 1 285.387 3.772 20 0 CHADMN COc1cc2c(cc1F)nccc2NCc1cccc(C)n1 ZINC000526042512 260112312 /nfs/dbraw/zinc/11/23/12/260112312.db2.gz MUSCFNYHCVOIPP-UHFFFAOYSA-N 0 1 297.333 3.698 20 0 CHADMN CC(C)C[N@@H+](C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000517750895 260119552 /nfs/dbraw/zinc/11/95/52/260119552.db2.gz VARKXXXUIJYTGP-LBPRGKRZSA-N 0 1 290.190 3.707 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1ccc(Cl)nc1 ZINC000069219729 260149095 /nfs/dbraw/zinc/14/90/95/260149095.db2.gz QGVRFKCICWENRF-LBPRGKRZSA-N 0 1 260.768 3.928 20 0 CHADMN CC(C)C[C@@H](N[C@H](C)c1cnccn1)c1ccccc1 ZINC000070544232 260157253 /nfs/dbraw/zinc/15/72/53/260157253.db2.gz DRPRFZPVIRAJCE-GDBMZVCRSA-N 0 1 269.392 3.915 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2ccccc2F)cc1 ZINC000078514488 260168055 /nfs/dbraw/zinc/16/80/55/260168055.db2.gz ZPUKOOSBWCKCFF-ZDUSSCGKSA-N 0 1 273.351 3.823 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@H](C)c2ccccn2)s1 ZINC000040517609 260176960 /nfs/dbraw/zinc/17/69/60/260176960.db2.gz GVXWWMQNBHQTAT-ZJUUUORDSA-N 0 1 261.394 3.567 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@H](C)c2ccccn2)s1 ZINC000040517608 260177171 /nfs/dbraw/zinc/17/71/71/260177171.db2.gz GVXWWMQNBHQTAT-NXEZZACHSA-N 0 1 261.394 3.567 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809107 260210309 /nfs/dbraw/zinc/21/03/09/260210309.db2.gz VIUZYRBTXMIKKI-CHWSQXEVSA-N 0 1 295.810 3.978 20 0 CHADMN C[C@H]1CCCC[N@H+]1CCCNc1nc(C(C)(C)C)ns1 ZINC000087640437 260216048 /nfs/dbraw/zinc/21/60/48/260216048.db2.gz QRCOQMACKUVDLX-LBPRGKRZSA-N 0 1 296.484 3.512 20 0 CHADMN COc1ccc(C2(NCc3ccc(C)cc3OC)CC2)cc1 ZINC000449119926 260230742 /nfs/dbraw/zinc/23/07/42/260230742.db2.gz AWXDJVLGTSWGCJ-UHFFFAOYSA-N 0 1 297.398 3.791 20 0 CHADMN CC(C)n1cncc1CN[C@H](C)c1ccc(Cl)cc1 ZINC000090207613 260238951 /nfs/dbraw/zinc/23/89/51/260238951.db2.gz FSUCLMHVTJKGGP-GFCCVEGCSA-N 0 1 277.799 3.968 20 0 CHADMN COCc1cccc(CN[C@H]2CSc3ccccc32)c1 ZINC000090715296 260261865 /nfs/dbraw/zinc/26/18/65/260261865.db2.gz CLLATYXEAGKGHC-INIZCTEOSA-N 0 1 285.412 3.770 20 0 CHADMN Cc1noc(C)c1CN[C@H](c1ccc(F)cc1)C1CC1 ZINC000092328572 260269059 /nfs/dbraw/zinc/26/90/59/260269059.db2.gz FUNXFTGMQHUDFB-INIZCTEOSA-N 0 1 274.339 3.671 20 0 CHADMN CCN(CC)CC(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000518009323 260333436 /nfs/dbraw/zinc/33/34/36/260333436.db2.gz QSUMRDXQSKHDIC-UHFFFAOYSA-N 0 1 296.370 3.866 20 0 CHADMN Cc1ccc(-c2n[nH]c(S[C@@H]3C=CCCC3)n2)cc1 ZINC000518173343 260348732 /nfs/dbraw/zinc/34/87/32/260348732.db2.gz GZCVLSBNONUAMW-CYBMUJFWSA-N 0 1 271.389 3.981 20 0 CHADMN Cc1ccc(CN[C@@H]2CCSc3ccccc32)nc1 ZINC000126949771 260360270 /nfs/dbraw/zinc/36/02/70/260360270.db2.gz YIUCNEUJRXZYQL-OAHLLOKOSA-N 0 1 270.401 3.717 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2NCc1cc(F)ccc1F ZINC000126901460 260360300 /nfs/dbraw/zinc/36/03/00/260360300.db2.gz NHOHLGHTRDXLMM-MRXNPFEDSA-N 0 1 277.289 3.881 20 0 CHADMN C[C@@H](Cc1ccoc1)NCc1c(F)cc(F)c(F)c1F ZINC000449291159 260368365 /nfs/dbraw/zinc/36/83/65/260368365.db2.gz JQTKMQKAKWIZJQ-QMMMGPOBSA-N 0 1 287.256 3.557 20 0 CHADMN CCN(C(=O)c1cccc2c[nH]nc21)c1ccccc1C ZINC000518286428 260369334 /nfs/dbraw/zinc/36/93/34/260369334.db2.gz MJMCEMLSCABVSS-UHFFFAOYSA-N 0 1 279.343 3.538 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Br)s2)C[C@H]1C ZINC000085697314 260378239 /nfs/dbraw/zinc/37/82/39/260378239.db2.gz PFOPJPSFQVBFMV-RKDXNWHRSA-N 0 1 274.227 3.598 20 0 CHADMN CCCC(CCC)C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000518350788 260381686 /nfs/dbraw/zinc/38/16/86/260381686.db2.gz SCPCKEHCOQUBLA-HNNXBMFYSA-N 0 1 294.483 3.536 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cncs2)cc1OC ZINC000129626936 260389768 /nfs/dbraw/zinc/38/97/68/260389768.db2.gz MDESNRUUUCFULX-GHMZBOCLSA-N 0 1 292.404 3.572 20 0 CHADMN CC(C)(C)OCCNCc1c(Cl)cccc1Cl ZINC000308755388 260394292 /nfs/dbraw/zinc/39/42/92/260394292.db2.gz WFLJIPLWZXBWGQ-UHFFFAOYSA-N 0 1 276.207 3.898 20 0 CHADMN CC(C)(C)C1CCC(C[N@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000130287167 260395191 /nfs/dbraw/zinc/39/51/91/260395191.db2.gz DPSBXHJYUFKZBN-SLTAFYQDSA-N 0 1 281.440 3.636 20 0 CHADMN Cc1ccccc1C[N@@H+](C)Cc1cccc2c1NCC2 ZINC000130488954 260396627 /nfs/dbraw/zinc/39/66/27/260396627.db2.gz AYXDTCJVLYBJTQ-UHFFFAOYSA-N 0 1 266.388 3.595 20 0 CHADMN C/C=C/COc1ccc(CC[C@@H](C)NC(CF)CF)cc1 ZINC000449380696 260471056 /nfs/dbraw/zinc/47/10/56/260471056.db2.gz OKOJZEVUXLGQOZ-RDFMZFSFSA-N 0 1 297.389 3.860 20 0 CHADMN CCCCc1noc(CN(CC)[C@@H]2CCCC[C@H]2C)n1 ZINC000444673203 261062064 /nfs/dbraw/zinc/06/20/64/261062064.db2.gz IJXZANCBCPOIOI-ZIAGYGMSSA-N 0 1 279.428 3.813 20 0 CHADMN CO[C@H]1CCCN([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000152244547 261062208 /nfs/dbraw/zinc/06/22/08/261062208.db2.gz AFKTYYQXVXYKEU-ZFWWWQNUSA-N 0 1 286.375 3.513 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)cc1N(C)C)c1ccccn1 ZINC000152397398 261063701 /nfs/dbraw/zinc/06/37/01/261063701.db2.gz GNHCUJWDKNBQNN-QWHCGFSZSA-N 0 1 287.382 3.699 20 0 CHADMN CC[C@](C)(NCc1ccc(C)s1)c1nccs1 ZINC000152651515 261067429 /nfs/dbraw/zinc/06/74/29/261067429.db2.gz CFSXCMCDQQYHKL-ZDUSSCGKSA-N 0 1 266.435 3.928 20 0 CHADMN COc1ncccc1CN[C@H]1C[C@H](C)c2c1cccc2C ZINC000152838290 261070155 /nfs/dbraw/zinc/07/01/55/261070155.db2.gz HNLXLWANOHIQOA-BBRMVZONSA-N 0 1 282.387 3.737 20 0 CHADMN CC[C@H](COC)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000152967378 261072186 /nfs/dbraw/zinc/07/21/86/261072186.db2.gz YEVUSTZHWBZLDR-TZMCWYRMSA-N 0 1 290.432 3.886 20 0 CHADMN Cc1n[nH]cc1CN1CCC[C@H]1c1ccccc1Cl ZINC000153409321 261077747 /nfs/dbraw/zinc/07/77/47/261077747.db2.gz HJVMYJWUYKAUCW-HNNXBMFYSA-N 0 1 275.783 3.709 20 0 CHADMN CCOc1ccccc1[C@H](CC)N[C@@H](C)c1cnn(C)c1 ZINC000153954324 261085725 /nfs/dbraw/zinc/08/57/25/261085725.db2.gz IYEIWMAEEXAIJF-BBRMVZONSA-N 0 1 287.407 3.621 20 0 CHADMN Cn1cncc1CN[C@@H](c1ccccc1F)C1CCCC1 ZINC000154233425 261089377 /nfs/dbraw/zinc/08/93/77/261089377.db2.gz AAGJWTOTUUKAAY-QGZVFWFLSA-N 0 1 287.382 3.580 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cc(OC)ccn2)cc1 ZINC000154322513 261090196 /nfs/dbraw/zinc/09/01/96/261090196.db2.gz UCZVRQYZXHUYAW-CYBMUJFWSA-N 0 1 270.376 3.503 20 0 CHADMN CCCC[C@H](COC)NCc1coc(-c2cccs2)n1 ZINC000155033625 261097264 /nfs/dbraw/zinc/09/72/64/261097264.db2.gz ASDLRVXZDWFEPZ-GFCCVEGCSA-N 0 1 294.420 3.698 20 0 CHADMN CN(Cc1nnc(-c2ccccc2)s1)C(C1CC1)C1CC1 ZINC000155141167 261098800 /nfs/dbraw/zinc/09/88/00/261098800.db2.gz UTZINMNYVJGEFG-UHFFFAOYSA-N 0 1 299.443 3.826 20 0 CHADMN Cc1cscc1NS(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000161632865 261102927 /nfs/dbraw/zinc/10/29/27/261102927.db2.gz RNXPFAYQVHLJPO-UHFFFAOYSA-N 0 1 299.392 3.613 20 0 CHADMN CCn1cc([C@H](C)NCc2ccccc2OCC2CC2)cn1 ZINC000156231005 261117407 /nfs/dbraw/zinc/11/74/07/261117407.db2.gz KOTGZCPEFWJAHB-AWEZNQCLSA-N 0 1 299.418 3.543 20 0 CHADMN C[C@H](NCCOCc1ccccc1)c1cccnc1Cl ZINC000156930313 261135345 /nfs/dbraw/zinc/13/53/45/261135345.db2.gz TVBKSSPULFTTIF-ZDUSSCGKSA-N 0 1 290.794 3.602 20 0 CHADMN C[C@H](NCc1ccncc1F)c1ccc2c(c1)CCCC2 ZINC000449060384 261141466 /nfs/dbraw/zinc/14/14/66/261141466.db2.gz FKBDQXNDPVBKBJ-ZDUSSCGKSA-N 0 1 284.378 3.950 20 0 CHADMN CCc1nc(C)c([C@@H](C)N[C@H](C)c2cccnc2)s1 ZINC000158475478 261165349 /nfs/dbraw/zinc/16/53/49/261165349.db2.gz IFLVIXGSABUWCF-GHMZBOCLSA-N 0 1 275.421 3.821 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cccc(OC)c2)o1 ZINC000158665801 261168932 /nfs/dbraw/zinc/16/89/32/261168932.db2.gz LUSVWJXKSAVJHH-GFCCVEGCSA-N 0 1 259.349 3.701 20 0 CHADMN Cc1cc([C@H](NCc2ccco2)C2CC2)ccc1F ZINC000158712251 261169283 /nfs/dbraw/zinc/16/92/83/261169283.db2.gz WVKJLPOPHDABTN-MRXNPFEDSA-N 0 1 259.324 3.968 20 0 CHADMN CCS[C@H]1CC[C@H](N(C)Cc2ccn(C(C)C)n2)C1 ZINC000174343438 261183685 /nfs/dbraw/zinc/18/36/85/261183685.db2.gz FEFCMDRBCSVELU-GJZGRUSLSA-N 0 1 281.469 3.570 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccsc3)c2C)o1 ZINC000161557917 261251403 /nfs/dbraw/zinc/25/14/03/261251403.db2.gz KMLGMKFCBUAVRW-UHFFFAOYSA-N 0 1 287.344 3.600 20 0 CHADMN C[C@H]1CCCN1Cc1csc(CCc2ccccc2)n1 ZINC000175910936 261252510 /nfs/dbraw/zinc/25/25/10/261252510.db2.gz GMPOSYRVPNEZIB-AWEZNQCLSA-N 0 1 286.444 3.913 20 0 CHADMN CCCOc1ccc(CN[C@@H](C)c2cnn(CC)c2)cc1 ZINC000161665403 261255627 /nfs/dbraw/zinc/25/56/27/261255627.db2.gz ZKFMZRZSHDQALX-AWEZNQCLSA-N 0 1 287.407 3.543 20 0 CHADMN c1csc([C@H]2CCCN2Cc2cncs2)c1 ZINC000162686845 261291524 /nfs/dbraw/zinc/29/15/24/261291524.db2.gz YUDSPFHNOORKBL-LLVKDONJSA-N 0 1 250.392 3.542 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1nnc(C(C)C)o1)C1CC1 ZINC000104967318 261304267 /nfs/dbraw/zinc/30/42/67/261304267.db2.gz DHIDBVJKJQVNED-VXGBXAGGSA-N 0 1 265.401 3.592 20 0 CHADMN CC[C@H](N[C@@H](C)c1cccnc1Cl)c1ccncc1 ZINC000163679123 261325138 /nfs/dbraw/zinc/32/51/38/261325138.db2.gz ZVHQUVXDODSQPV-FZMZJTMJSA-N 0 1 275.783 3.932 20 0 CHADMN Cc1nc(C(C)C)sc1[C@@H](C)N[C@H](C)c1cnn(C)c1 ZINC000163855124 261332271 /nfs/dbraw/zinc/33/22/71/261332271.db2.gz YVBFBJGVWKQSFB-GHMZBOCLSA-N 0 1 292.452 3.720 20 0 CHADMN CSC[C@@H](O)CN([C@H](C)c1ccccc1Cl)C1CC1 ZINC000187808376 261335908 /nfs/dbraw/zinc/33/59/08/261335908.db2.gz JOTQFMPXAQMOSF-YPMHNXCESA-N 0 1 299.867 3.589 20 0 CHADMN CC[C@@H](C)CN(CC)Cc1csc([C@@H](C)OC)n1 ZINC000177851715 261371234 /nfs/dbraw/zinc/37/12/34/261371234.db2.gz LNJTVKCHOCXIFZ-VXGBXAGGSA-N 0 1 270.442 3.719 20 0 CHADMN COc1cccc([C@H](C)Sc2nc(C(C)(C)C)n[nH]2)c1 ZINC000178000263 261375604 /nfs/dbraw/zinc/37/56/04/261375604.db2.gz AJRCEVYYYXGCSF-JTQLQIEISA-N 0 1 291.420 3.964 20 0 CHADMN CC[C@H](NCc1cccc(CO)c1)c1ccccc1F ZINC000180473898 261424652 /nfs/dbraw/zinc/42/46/52/261424652.db2.gz WGGUXDUKAPYPIH-KRWDZBQOSA-N 0 1 273.351 3.559 20 0 CHADMN Cc1ccc(CN[C@H]2CCCc3sccc32)nc1C ZINC000314323527 261614765 /nfs/dbraw/zinc/61/47/65/261614765.db2.gz SHSXUERIZADCOJ-HNNXBMFYSA-N 0 1 272.417 3.927 20 0 CHADMN CCc1noc(CC)c1CN[C@@H](C)c1ccsc1 ZINC000178401601 261740511 /nfs/dbraw/zinc/74/05/11/261740511.db2.gz FFAQWIPCCAVSPA-JTQLQIEISA-N 0 1 264.394 3.712 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2nc3ccccc3o2)CCS1 ZINC000181126407 261885749 /nfs/dbraw/zinc/88/57/49/261885749.db2.gz NIDYFEKGWBENAQ-NWDGAFQWSA-N 0 1 276.405 3.716 20 0 CHADMN C[C@H](NC1(c2cccc(F)c2)CC1)c1cccnc1 ZINC000182215432 261929696 /nfs/dbraw/zinc/92/96/96/261929696.db2.gz ZWRSTBVHWOQWLV-LBPRGKRZSA-N 0 1 256.324 3.561 20 0 CHADMN Cc1oc2ccccc2c1CNCc1cnn(CC(C)C)c1 ZINC000183916573 261998813 /nfs/dbraw/zinc/99/88/13/261998813.db2.gz GRQYMCUXIWKESA-UHFFFAOYSA-N 0 1 297.402 3.884 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(C(F)F)cc1 ZINC000183988406 262003505 /nfs/dbraw/zinc/00/35/05/262003505.db2.gz HKIHOXDTOZIHOJ-SNVBAGLBSA-N 0 1 279.334 3.517 20 0 CHADMN C[C@@H](NCc1cccs1)c1ccc(Cl)cn1 ZINC000309739730 262009570 /nfs/dbraw/zinc/00/95/70/262009570.db2.gz DAKVXRSTZKGZSE-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)c1cn[nH]c1C1CC1 ZINC000184167738 262011422 /nfs/dbraw/zinc/01/14/22/262011422.db2.gz FZOCVKWAXOYLFQ-UHFFFAOYSA-N 0 1 275.739 3.501 20 0 CHADMN CCCN(CCc1cccs1)Cc1nccn1C(C)C ZINC000184510683 262021107 /nfs/dbraw/zinc/02/11/07/262021107.db2.gz FWEYDWAVUQRVJG-UHFFFAOYSA-N 0 1 291.464 3.980 20 0 CHADMN CCCCCN[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000185108789 262042104 /nfs/dbraw/zinc/04/21/04/262042104.db2.gz HKMIUPIVURQOEV-LBPRGKRZSA-N 0 1 289.379 3.586 20 0 CHADMN Fc1cccc(CC2(NCc3cscn3)CCC2)c1 ZINC000185231125 262046945 /nfs/dbraw/zinc/04/69/45/262046945.db2.gz JMPJWSXVVFAENP-UHFFFAOYSA-N 0 1 276.380 3.537 20 0 CHADMN C[C@H](NCCC(C)(C)C)c1nc(Cc2ccccc2)no1 ZINC000185394965 262052778 /nfs/dbraw/zinc/05/27/78/262052778.db2.gz USQYLTKNHREPKL-ZDUSSCGKSA-N 0 1 287.407 3.747 20 0 CHADMN CCSc1cccc(CN[C@H](C)c2cnn(C)c2C)c1 ZINC000185464728 262056065 /nfs/dbraw/zinc/05/60/65/262056065.db2.gz WCZVJJWASGGPDU-GFCCVEGCSA-N 0 1 289.448 3.691 20 0 CHADMN CCSc1cccc(CNCc2ncccc2C)c1 ZINC000185524694 262058645 /nfs/dbraw/zinc/05/86/45/262058645.db2.gz YJWYSUCTIFXTDY-UHFFFAOYSA-N 0 1 272.417 3.792 20 0 CHADMN CCC[C@H](NCc1c(CC)noc1CC)c1cccnc1 ZINC000185678325 262065700 /nfs/dbraw/zinc/06/57/00/262065700.db2.gz LQYDEABBKXBEHL-INIZCTEOSA-N 0 1 287.407 3.825 20 0 CHADMN CC1(C)CCC[C@@H]1NCc1ncc(-c2ccccc2)cn1 ZINC000186052109 262077053 /nfs/dbraw/zinc/07/70/53/262077053.db2.gz LZSKDCNXADQTEC-INIZCTEOSA-N 0 1 281.403 3.812 20 0 CHADMN CC(C)C1(C)CCN(Cc2nnc(-c3ccco3)o2)CC1 ZINC000186201059 262083430 /nfs/dbraw/zinc/08/34/30/262083430.db2.gz SURWMTRLGYQLQF-UHFFFAOYSA-N 0 1 289.379 3.588 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1cc(C)cc(OC)c1 ZINC000186227056 262085221 /nfs/dbraw/zinc/08/52/21/262085221.db2.gz XUALMMKNTOZAJZ-GFCCVEGCSA-N 0 1 291.416 3.925 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@@H](CCO)c1ccco1 ZINC000186530301 262097277 /nfs/dbraw/zinc/09/72/77/262097277.db2.gz BODLCJQSQCNGAC-KBMXLJTQSA-N 0 1 285.387 3.850 20 0 CHADMN CC[C@H](N[C@H](CCO)c1ccco1)c1ccc(C)cc1 ZINC000186554926 262099054 /nfs/dbraw/zinc/09/90/54/262099054.db2.gz INPITEGQLZYOMH-JKSUJKDBSA-N 0 1 273.376 3.752 20 0 CHADMN OCC[C@@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccco1 ZINC000186562773 262099263 /nfs/dbraw/zinc/09/92/63/262099263.db2.gz PZOIDCDGMRHBHF-HUUCEWRRSA-N 0 1 291.778 3.634 20 0 CHADMN C[C@@H](c1ccco1)N(C)C[C@H](O)c1ccc(F)cc1Cl ZINC000186804058 262110702 /nfs/dbraw/zinc/11/07/02/262110702.db2.gz VOVOFGWXJCAYPB-HZMBPMFUSA-N 0 1 297.757 3.799 20 0 CHADMN C[C@@H](NCc1cccc2cccnc21)c1cncs1 ZINC000120506585 262205287 /nfs/dbraw/zinc/20/52/87/262205287.db2.gz DNOLJVZSWJZBES-LLVKDONJSA-N 0 1 269.373 3.542 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(Cl)cc2)CCS1 ZINC000525781556 262227999 /nfs/dbraw/zinc/22/79/99/262227999.db2.gz PSYXJZNODDWDKK-CYBMUJFWSA-N 0 1 255.814 3.667 20 0 CHADMN FC(F)(F)Oc1ccccc1CNCc1cccs1 ZINC000020138917 262231442 /nfs/dbraw/zinc/23/14/42/262231442.db2.gz OBSJJTCIOFGIFQ-UHFFFAOYSA-N 0 1 287.306 3.937 20 0 CHADMN FC1(F)CCCC[C@H]1CNCc1ncc(Cl)s1 ZINC000390694774 262241817 /nfs/dbraw/zinc/24/18/17/262241817.db2.gz RBDTXZZMNBEDBQ-QMMMGPOBSA-N 0 1 280.771 3.712 20 0 CHADMN C[C@H](NC1(c2cccc(F)c2)CC1)c1cccc(O)c1 ZINC000194947223 262244089 /nfs/dbraw/zinc/24/40/89/262244089.db2.gz WPOSQBCWWBDFGZ-LBPRGKRZSA-N 0 1 271.335 3.871 20 0 CHADMN CCc1noc(C)c1CN1Cc2ccccc2C2(CC2)C1 ZINC000372273848 262265578 /nfs/dbraw/zinc/26/55/78/262265578.db2.gz OGFKYQDGEDFQQK-UHFFFAOYSA-N 0 1 282.387 3.593 20 0 CHADMN Cc1ccc(CSCc2n[nH]c(C(C)C)n2)cc1C ZINC000488266691 262301962 /nfs/dbraw/zinc/30/19/62/262301962.db2.gz OYZRQRSPOWUYDP-UHFFFAOYSA-N 0 1 275.421 3.978 20 0 CHADMN CC[N@H+](Cc1cccc([O-])c1Cl)C1CCCC1 ZINC000393952698 262374640 /nfs/dbraw/zinc/37/46/40/262374640.db2.gz VLJFJFQLWAILNR-UHFFFAOYSA-N 0 1 253.773 3.810 20 0 CHADMN CC[N@@H+](Cc1cccc([O-])c1Cl)C1CCCC1 ZINC000393952698 262374641 /nfs/dbraw/zinc/37/46/41/262374641.db2.gz VLJFJFQLWAILNR-UHFFFAOYSA-N 0 1 253.773 3.810 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccncc1OC)c1ccccc1 ZINC000187064638 262377620 /nfs/dbraw/zinc/37/76/20/262377620.db2.gz IEFHBCKUXKTWDY-BBRMVZONSA-N 0 1 270.376 3.892 20 0 CHADMN COc1cccc2cc([C@@H](C)NCc3ccnc(C)c3)oc21 ZINC000391157498 262384414 /nfs/dbraw/zinc/38/44/14/262384414.db2.gz FVKWSUGCFBCFKT-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN Cc1cc(CNCc2ccc(F)c(C(F)(F)F)c2)ccn1 ZINC000391155186 262384692 /nfs/dbraw/zinc/38/46/92/262384692.db2.gz DCXNOOAZICHLBD-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Cc1ccc(-c2nc(CN[C@@H]3CCSC3)cs2)cc1 ZINC000266133881 262914306 /nfs/dbraw/zinc/91/43/06/262914306.db2.gz DWCBPOITQOWVQV-CYBMUJFWSA-N 0 1 290.457 3.714 20 0 CHADMN Cc1nc(C)c(CNCc2cnccc2C(C)(C)C)s1 ZINC000414494582 262962967 /nfs/dbraw/zinc/96/29/67/262962967.db2.gz FLQUMBKXFIKHTA-UHFFFAOYSA-N 0 1 289.448 3.742 20 0 CHADMN Fc1cc(CN[C@@H]2CCCC[C@H]2F)ccc1OC(F)F ZINC000414517068 262977807 /nfs/dbraw/zinc/97/78/07/262977807.db2.gz YDAGTCRSMQEPSZ-ZYHUDNBSSA-N 0 1 291.288 3.797 20 0 CHADMN COc1ccccc1-c1ccc([C@H](C)NCCF)cc1 ZINC000271753684 262999368 /nfs/dbraw/zinc/99/93/68/262999368.db2.gz UBOIJZZEBAGEGO-ZDUSSCGKSA-N 0 1 273.351 3.982 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1ccc(OC(C)(C)C)nc1 ZINC000272271641 263002838 /nfs/dbraw/zinc/00/28/38/263002838.db2.gz BJTJFYWCQZTWPS-CQSZACIVSA-N 0 1 299.418 3.813 20 0 CHADMN Brc1cccc(CN2CCC[C@@H]2C2CCC2)n1 ZINC000272439808 263004249 /nfs/dbraw/zinc/00/42/49/263004249.db2.gz SQECRUQNJOMFKF-CYBMUJFWSA-N 0 1 295.224 3.609 20 0 CHADMN C[C@H](O)[C@@H]1CCN([C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000272555072 263006681 /nfs/dbraw/zinc/00/66/81/263006681.db2.gz LDDRJRPSQZNCRA-GARJFASQSA-N 0 1 288.218 3.757 20 0 CHADMN CC(C)(C)c1ccc(Cc2nc(C3(N)CCCC3)no2)cc1 ZINC000414614248 263010048 /nfs/dbraw/zinc/01/00/48/263010048.db2.gz GWVGTXVCVYUICX-UHFFFAOYSA-N 0 1 299.418 3.686 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2ccc(C(C)(F)F)cc2)n1 ZINC000414618584 263012389 /nfs/dbraw/zinc/01/23/89/263012389.db2.gz JZDKSQQSOKLBQY-LBPRGKRZSA-N 0 1 295.333 3.894 20 0 CHADMN Cc1ccsc1CCCc1nc([C@@H](N)CC(C)C)no1 ZINC000414618742 263012479 /nfs/dbraw/zinc/01/24/79/263012479.db2.gz NBXIQXRYFYVKON-LBPRGKRZSA-N 0 1 293.436 3.661 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2CC23CCCCC3)n1 ZINC000414621343 263013783 /nfs/dbraw/zinc/01/37/83/263013783.db2.gz MAXWXKZUTYNGKL-RYUDHWBXSA-N 0 1 263.385 3.553 20 0 CHADMN CC(C)Cc1ccc([C@@H](C)c2nc(C3(N)CCC3)no2)cc1 ZINC000414623135 263014377 /nfs/dbraw/zinc/01/43/77/263014377.db2.gz DARJTEBSKUGGOS-CYBMUJFWSA-N 0 1 299.418 3.758 20 0 CHADMN Cc1ccc2sc(-c3nc(C4(N)CCCC4)no3)cc2c1 ZINC000414622260 263014716 /nfs/dbraw/zinc/01/47/16/263014716.db2.gz BRRNOUPXXUWGSB-UHFFFAOYSA-N 0 1 299.399 3.988 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2ccc(C(C)C)s2)n1 ZINC000414622816 263014943 /nfs/dbraw/zinc/01/49/43/263014943.db2.gz SUBGGCWUZQTLNI-SNVBAGLBSA-N 0 1 279.409 3.967 20 0 CHADMN CC(C)C[C@H](N)c1noc(CC[C@@H](C)c2ccccc2)n1 ZINC000414624942 263015245 /nfs/dbraw/zinc/01/52/45/263015245.db2.gz WKHHRPMTMKADMW-HIFRSBDPSA-N 0 1 287.407 3.852 20 0 CHADMN Cc1ccc2[nH]c(-c3nc(C4(N)CCCC4)no3)cc2c1C ZINC000414625510 263016038 /nfs/dbraw/zinc/01/60/38/263016038.db2.gz IPAAQERBWQFJJM-UHFFFAOYSA-N 0 1 296.374 3.563 20 0 CHADMN Cc1cc(Cl)c(-c2nc(C3(N)CCCC3)no2)cc1C ZINC000414628378 263016614 /nfs/dbraw/zinc/01/66/14/263016614.db2.gz OATCWQNUYCKCOG-UHFFFAOYSA-N 0 1 291.782 3.735 20 0 CHADMN CC1=C(c2nc(C3(N)CCCC3)no2)CCC(C)(C)C1 ZINC000414629152 263016946 /nfs/dbraw/zinc/01/69/46/263016946.db2.gz PTNUOMAHEQJOKE-UHFFFAOYSA-N 0 1 275.396 3.781 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@]2(C)C[C@@H]2c2ccccc2)n1 ZINC000414633392 263018298 /nfs/dbraw/zinc/01/82/98/263018298.db2.gz ZFQQFTZONIIWMF-CPUCHLNUSA-N 0 1 285.391 3.561 20 0 CHADMN C[C@]1(c2ccccc2)CC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000414638913 263018981 /nfs/dbraw/zinc/01/89/81/263018981.db2.gz PAIBCDNLZAOMCR-IBGZPJMESA-N 0 1 295.382 3.548 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414675420 263030950 /nfs/dbraw/zinc/03/09/50/263030950.db2.gz GHXMNEHKVDCYKD-YXJHDRRASA-N 0 1 289.419 3.682 20 0 CHADMN CCCC1CCC(C[N@@H+](CC(=O)[O-])[C@H](C)CC)CC1 ZINC000414686708 263032451 /nfs/dbraw/zinc/03/24/51/263032451.db2.gz VSAGXLNJEXOMMH-WLYUNCDWSA-N 0 1 269.429 3.778 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2cccc(F)c2)n[nH]1 ZINC000277382094 263040832 /nfs/dbraw/zinc/04/08/32/263040832.db2.gz XQJDVFDCSOVGCP-TUAOUCFPSA-N 0 1 290.386 3.869 20 0 CHADMN Cn1ccc(CN[C@H]2CC(C)(C)CCc3ccccc32)n1 ZINC000280951604 263065279 /nfs/dbraw/zinc/06/52/79/263065279.db2.gz XNCDNPHTYIZWPX-KRWDZBQOSA-N 0 1 283.419 3.614 20 0 CHADMN Cc1cc(Cl)nc(CN[C@H]2CCc3cc(F)ccc32)c1 ZINC000282693991 263078036 /nfs/dbraw/zinc/07/80/36/263078036.db2.gz KNIMBYAGXXLFGX-HNNXBMFYSA-N 0 1 290.769 3.960 20 0 CHADMN CCOCc1ccccc1CN[C@@H](C)c1ccncc1F ZINC000340170923 263082634 /nfs/dbraw/zinc/08/26/34/263082634.db2.gz AAOCXHBRBWXROD-ZDUSSCGKSA-N 0 1 288.366 3.608 20 0 CHADMN C[C@H](c1nc2ccccc2s1)N(C)C[C@@H](O)C(C)(C)C ZINC000283843382 263084477 /nfs/dbraw/zinc/08/44/77/263084477.db2.gz HJNQEBXFNPVPRN-BXUZGUMPSA-N 0 1 292.448 3.696 20 0 CHADMN CC[C@H](N[C@H](C)c1cc(C)ccn1)c1ccncc1 ZINC000285991167 263096888 /nfs/dbraw/zinc/09/68/88/263096888.db2.gz ICKSIUCJKZLWGQ-HIFRSBDPSA-N 0 1 255.365 3.587 20 0 CHADMN Cc1sccc1CN[C@H]1CCOc2ccc(F)cc21 ZINC000293468256 263141248 /nfs/dbraw/zinc/14/12/48/263141248.db2.gz DVMCWNIGPRWBJK-AWEZNQCLSA-N 0 1 277.364 3.809 20 0 CHADMN c1ccc([C@@H]2N(Cc3ccccn3)CC23CCC3)cc1 ZINC000293867982 263151352 /nfs/dbraw/zinc/15/13/52/263151352.db2.gz IQZKFPTVYRAOFK-KRWDZBQOSA-N 0 1 264.372 3.809 20 0 CHADMN Cc1ncsc1CN1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000295068028 263171842 /nfs/dbraw/zinc/17/18/42/263171842.db2.gz QSHVHEDZDFXQFZ-PSASIEDQSA-N 0 1 278.343 3.614 20 0 CHADMN CO[C@@H]1CCN([C@H](C)c2ccc(F)c(F)c2)CC1(C)C ZINC000296113000 263185930 /nfs/dbraw/zinc/18/59/30/263185930.db2.gz RKVNMJIPCQSKDL-IAQYHMDHSA-N 0 1 283.362 3.773 20 0 CHADMN CCCN(CCc1cccs1)[C@@H](C)c1nc(CC)no1 ZINC000299250285 263236104 /nfs/dbraw/zinc/23/61/04/263236104.db2.gz JRKHUYYIKSVDAG-LBPRGKRZSA-N 0 1 293.436 3.709 20 0 CHADMN CCCN(Cc1c(C)nn(C)c1C)Cc1ccc(F)cc1 ZINC000299565650 263247278 /nfs/dbraw/zinc/24/72/78/263247278.db2.gz MJWSGTPLUVMCCM-UHFFFAOYSA-N 0 1 289.398 3.588 20 0 CHADMN COc1ncc([C@H](C)NCc2ccc(F)cc2)cc1Cl ZINC000342614127 263454129 /nfs/dbraw/zinc/45/41/29/263454129.db2.gz JZTFCGWGUFHBAB-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1ncc(COC)s1 ZINC000342925080 263548121 /nfs/dbraw/zinc/54/81/21/263548121.db2.gz HUYVDZFWNFNEOU-GXTWGEPZSA-N 0 1 282.453 3.690 20 0 CHADMN COC[C@H]1CCCN(Cc2c(F)cc(C)cc2F)CC1 ZINC000425341848 264008984 /nfs/dbraw/zinc/00/89/84/264008984.db2.gz DWXXUUXWXGEYAS-ZDUSSCGKSA-N 0 1 283.362 3.522 20 0 CHADMN CO[C@@]1(C)CCCN(Cc2c(F)cc(C)cc2F)CC1 ZINC000425343494 264015575 /nfs/dbraw/zinc/01/55/75/264015575.db2.gz RRZQRGLBYNEQST-INIZCTEOSA-N 0 1 283.362 3.664 20 0 CHADMN Cc1nc(CN[C@H](CC(N)=O)C2CCCCC2)c(C)s1 ZINC000330873146 264059074 /nfs/dbraw/zinc/05/90/74/264059074.db2.gz VCBFILYFMUKEIA-CYBMUJFWSA-N 0 1 295.452 3.724 20 0 CHADMN C[C@H](NCc1n[nH]c(C(C)(C)C)n1)c1ccc(Cl)s1 ZINC000331209886 264162288 /nfs/dbraw/zinc/16/22/88/264162288.db2.gz XDBGWUNVSJLJDE-QMMMGPOBSA-N 0 1 298.843 3.668 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H]2CCC[C@H](C)C2)c1 ZINC000331241204 264177022 /nfs/dbraw/zinc/17/70/22/264177022.db2.gz QCZTXABAHNAELG-AAEUAGOBSA-N 0 1 289.375 3.750 20 0 CHADMN CC1(C)CCc2cc(CN3CC(CC(F)F)C3)ccc2O1 ZINC000425369291 264212857 /nfs/dbraw/zinc/21/28/57/264212857.db2.gz ZXTWJTDZBVSDFD-UHFFFAOYSA-N 0 1 295.373 3.877 20 0 CHADMN C[C@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000424856273 264232522 /nfs/dbraw/zinc/23/25/22/264232522.db2.gz USHFUKRHFIJTGB-IUCAKERBSA-N 0 1 285.746 3.950 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H]1CCc2cc(F)ccc21 ZINC000188786828 264241714 /nfs/dbraw/zinc/24/17/14/264241714.db2.gz CNUJNKSOLKHGFL-MEDUHNTESA-N 0 1 286.350 3.567 20 0 CHADMN CN(Cc1nc2ccccc2o1)CC1(c2ccccc2)CC1 ZINC000189309046 264287398 /nfs/dbraw/zinc/28/73/98/264287398.db2.gz RWNVDJHJWUZPQP-UHFFFAOYSA-N 0 1 292.382 3.991 20 0 CHADMN Cc1nc(CN(C)CC2(c3ccccc3)CC2)sc1C ZINC000189300469 264287796 /nfs/dbraw/zinc/28/77/96/264287796.db2.gz JVVSQYMLRLFFPY-UHFFFAOYSA-N 0 1 286.444 3.924 20 0 CHADMN CC[C@H](C)NCc1csc(COc2ccc(C)cc2)n1 ZINC000073697010 264296972 /nfs/dbraw/zinc/29/69/72/264296972.db2.gz LMTZRMZYODPKDV-ZDUSSCGKSA-N 0 1 290.432 3.919 20 0 CHADMN CCOc1ccc(C[N@H+]2CCCC23CCC3)cc1F ZINC000426001821 264300608 /nfs/dbraw/zinc/30/06/08/264300608.db2.gz ZFXIBKMDFCSZAW-UHFFFAOYSA-N 0 1 263.356 3.743 20 0 CHADMN CSCc1cccc(CNCc2ccccc2F)c1 ZINC000189478098 264301787 /nfs/dbraw/zinc/30/17/87/264301787.db2.gz XMNMUAYTBRQZBC-UHFFFAOYSA-N 0 1 275.392 3.979 20 0 CHADMN COc1cnccc1[C@@H](C)NC/C=C/c1ccc(F)cc1 ZINC000189548281 264306943 /nfs/dbraw/zinc/30/69/43/264306943.db2.gz LQXRFBBFCXZQLM-ITDFMYJTSA-N 0 1 286.350 3.593 20 0 CHADMN COc1cnccc1[C@H](C)NCc1cc(C)ccc1C ZINC000189554704 264307009 /nfs/dbraw/zinc/30/70/09/264307009.db2.gz ULRCRDMLRYTHEU-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CO[C@H](CN(C)[C@@H](C)c1nc2ccccc2s1)C1CC1 ZINC000425428924 264309276 /nfs/dbraw/zinc/30/92/76/264309276.db2.gz XLUBSKVUVRNZPU-SMDDNHRTSA-N 0 1 290.432 3.714 20 0 CHADMN CC(C)(C)[C@@H]1CCCC[C@@H]1NCc1nc(C(F)F)no1 ZINC000425422058 264312757 /nfs/dbraw/zinc/31/27/57/264312757.db2.gz WJWVPSRMHOGFDO-ZJUUUORDSA-N 0 1 287.354 3.702 20 0 CHADMN C[C@H](NCc1ccc(F)c(Cl)c1)c1cncs1 ZINC000130447836 264353636 /nfs/dbraw/zinc/35/36/36/264353636.db2.gz HRCOVXPMFMPUIM-QMMMGPOBSA-N 0 1 270.760 3.786 20 0 CHADMN CCN(Cc1c[nH]c2ccccc12)[C@@H](C)c1cnccn1 ZINC000190508178 264367987 /nfs/dbraw/zinc/36/79/87/264367987.db2.gz REAJPWRWGGFUNF-ZDUSSCGKSA-N 0 1 280.375 3.541 20 0 CHADMN CC(C)O[C@H](CN1CCOC(C)(C)[C@H]1C)c1ccccc1 ZINC000428393441 264368917 /nfs/dbraw/zinc/36/89/17/264368917.db2.gz OACOBIWOPLPIHX-NVXWUHKLSA-N 0 1 291.435 3.652 20 0 CHADMN CC1(C)CN(Cc2ccc3ccccc3n2)CC(C)(C)O1 ZINC000190551650 264396404 /nfs/dbraw/zinc/39/64/04/264396404.db2.gz FBURVQFJVFBIQO-UHFFFAOYSA-N 0 1 284.403 3.624 20 0 CHADMN C[C@@H]1C[C@H](N[C@H](c2nccn2C)C2CC2)c2ccccc21 ZINC000343987603 265050265 /nfs/dbraw/zinc/05/02/65/265050265.db2.gz OCFLRKBPHLCKQG-DQYPLSBCSA-N 0 1 281.403 3.709 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H](c2nccn2C)C2CC2)c2ccccc21 ZINC000343987608 265050309 /nfs/dbraw/zinc/05/03/09/265050309.db2.gz OCFLRKBPHLCKQG-OAUYIBNBSA-N 0 1 281.403 3.709 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000335680206 265168548 /nfs/dbraw/zinc/16/85/48/265168548.db2.gz ZGDGQMOHUZTWPH-AWEZNQCLSA-N 0 1 297.402 3.900 20 0 CHADMN Fc1cncc(CN[C@@H]2CCc3sc(Cl)cc32)c1 ZINC000335804577 265210656 /nfs/dbraw/zinc/21/06/56/265210656.db2.gz HSLCGLFXISABFN-LLVKDONJSA-N 0 1 282.771 3.713 20 0 CHADMN CN(CCOc1cccc2ccccc21)Cc1ccoc1 ZINC000518913551 265212428 /nfs/dbraw/zinc/21/24/28/265212428.db2.gz APDKPRNBAZLOST-UHFFFAOYSA-N 0 1 281.355 3.944 20 0 CHADMN C[C@H](NCc1cn2cc(Cl)ccc2n1)c1ccccc1 ZINC000096543980 265373733 /nfs/dbraw/zinc/37/37/33/265373733.db2.gz RSRCTRFODUOZMS-LBPRGKRZSA-N 0 1 285.778 3.839 20 0 CHADMN COc1cc(-c2nc3ccc(C)c(C)c3[nH]2)ccc1C#N ZINC000519294697 265387874 /nfs/dbraw/zinc/38/78/74/265387874.db2.gz WIOCZOHKLIWENC-UHFFFAOYSA-N 0 1 277.327 3.727 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@H]1CCCCCC(=O)C1 ZINC000520306619 265764217 /nfs/dbraw/zinc/76/42/17/265764217.db2.gz PBDOSVSJBKEMBA-JTQLQIEISA-N 0 1 295.766 3.524 20 0 CHADMN COc1ccc2nc(S[C@@H](C)c3ncc(C)o3)[nH]c2c1 ZINC000356181344 266064382 /nfs/dbraw/zinc/06/43/82/266064382.db2.gz PNPHORRLOSAYMJ-VIFPVBQESA-N 0 1 289.360 3.721 20 0 CHADMN COC[C@@H]1CCCN(Cc2cscc2C(F)(F)F)C1 ZINC000356221054 266074540 /nfs/dbraw/zinc/07/45/40/266074540.db2.gz OKRLRRREOWCSNR-SNVBAGLBSA-N 0 1 293.354 3.625 20 0 CHADMN CCc1cnc(CN2CCC(C)(C3CC3)CC2)s1 ZINC000356282495 266087614 /nfs/dbraw/zinc/08/76/14/266087614.db2.gz MPNQDXCETMRKCL-UHFFFAOYSA-N 0 1 264.438 3.718 20 0 CHADMN Cc1cn[nH]c1CN(CCC(F)(F)F)Cc1ccccc1 ZINC000356409526 266108676 /nfs/dbraw/zinc/10/86/76/266108676.db2.gz USSWSDHLXKFIDK-UHFFFAOYSA-N 0 1 297.324 3.673 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2N[C@H](C)c1ccc(F)cn1 ZINC000356669223 266156350 /nfs/dbraw/zinc/15/63/50/266156350.db2.gz CKNXDMVZIFCJLB-SJKOYZFVSA-N 0 1 270.351 3.867 20 0 CHADMN C[C@@H](c1noc(-c2cc(-c3ccco3)n[nH]2)n1)C(C)(C)C ZINC000356884729 266203519 /nfs/dbraw/zinc/20/35/19/266203519.db2.gz VHTODGHZMFCWJH-VIFPVBQESA-N 0 1 286.335 3.869 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@@H](CC)c1ccncc1 ZINC000356891721 266207213 /nfs/dbraw/zinc/20/72/13/266207213.db2.gz HEAOZTHWKJFBJV-CJNGLKHVSA-N 0 1 269.392 3.841 20 0 CHADMN Cc1cscc1-c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000356974909 266223180 /nfs/dbraw/zinc/22/31/80/266223180.db2.gz DXYRDOUDOLXVRC-UHFFFAOYSA-N 0 1 282.328 3.650 20 0 CHADMN COc1ccc(CCCN(C)[C@H](C)c2ncc(C)o2)cc1 ZINC000356974141 266223496 /nfs/dbraw/zinc/22/34/96/266223496.db2.gz AHQYMVJMOQOPOX-CQSZACIVSA-N 0 1 288.391 3.617 20 0 CHADMN Cc1ccc2c(c1)CN(c1ccnc(C)c1Cl)C2 ZINC000356997178 266229266 /nfs/dbraw/zinc/22/92/66/266229266.db2.gz LFKVQOXNOPWPOL-UHFFFAOYSA-N 0 1 258.752 3.872 20 0 CHADMN COc1ccccc1[C@H]1CCN([C@H](C)c2ncc(C)o2)C1 ZINC000357009410 266231419 /nfs/dbraw/zinc/23/14/19/266231419.db2.gz VRPUDEJINVULST-KGLIPLIRSA-N 0 1 286.375 3.542 20 0 CHADMN COc1ccccc1[C@@H]1CCN([C@H](C)c2ncc(C)o2)C1 ZINC000357009413 266232123 /nfs/dbraw/zinc/23/21/23/266232123.db2.gz VRPUDEJINVULST-ZIAGYGMSSA-N 0 1 286.375 3.542 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2ccn(C3CCCC3)n2)C1 ZINC000357303229 266273219 /nfs/dbraw/zinc/27/32/19/266273219.db2.gz MCQLGPWBBJARPO-KGLIPLIRSA-N 0 1 261.413 3.619 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NCC1(C)CCC(C)CC1 ZINC000357382617 266287663 /nfs/dbraw/zinc/28/76/63/266287663.db2.gz RXVBPRMARYGGIL-UHFFFAOYSA-N 0 1 291.439 3.788 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2C[C@@H](C)CCC[C@@H]2C)c1 ZINC000357436002 266295348 /nfs/dbraw/zinc/29/53/48/266295348.db2.gz JEYZTGZOTUAHFV-AAEUAGOBSA-N 0 1 285.391 3.522 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@H](C)CC(C)(C)C)c1 ZINC000357450898 266298553 /nfs/dbraw/zinc/29/85/53/266298553.db2.gz HROLASLMLNGLRX-SNVBAGLBSA-N 0 1 277.364 3.606 20 0 CHADMN CCc1ccc(C2=CCN(Cc3cccnc3)CC2)cc1 ZINC000357557633 266325158 /nfs/dbraw/zinc/32/51/58/266325158.db2.gz ZAERDZBARGDJTE-UHFFFAOYSA-N 0 1 278.399 3.933 20 0 CHADMN Cc1ccc(-c2ccc(C)c(NC(=O)c3cn[nH]c3C)c2)o1 ZINC000357563544 266326375 /nfs/dbraw/zinc/32/63/75/266326375.db2.gz PTEUTBKYELLRRB-UHFFFAOYSA-N 0 1 295.342 3.847 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN(CCOCC2CC2)C2CC2)o1 ZINC000357603627 266334134 /nfs/dbraw/zinc/33/41/34/266334134.db2.gz JHXXIUXXFWTDFN-SUMWQHHRSA-N 0 1 289.419 3.794 20 0 CHADMN Cc1ccc(-c2nnc(CN3CCC[C@@H](C)[C@H]3C)o2)cc1 ZINC000357737607 266352585 /nfs/dbraw/zinc/35/25/85/266352585.db2.gz XMDLQKSHBRJKDO-ZIAGYGMSSA-N 0 1 285.391 3.665 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cc(F)ccc1F ZINC000358505574 266471327 /nfs/dbraw/zinc/47/13/27/266471327.db2.gz KFUNTJILCZQMLT-NSHDSACASA-N 0 1 276.330 3.773 20 0 CHADMN CCCN(Cc1nnc(C)s1)CC1CCCCC1 ZINC000358516278 266473096 /nfs/dbraw/zinc/47/30/96/266473096.db2.gz ZMPWQGBPFXYIIV-UHFFFAOYSA-N 0 1 267.442 3.639 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C[C@H]2CCC[C@@H](C)C2)c1 ZINC000358532958 266473747 /nfs/dbraw/zinc/47/37/47/266473747.db2.gz VAYLLUQFQGPTHB-YPMHNXCESA-N 0 1 289.375 3.750 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@H](C)c1ccc(Cl)cn1 ZINC000359995888 266668032 /nfs/dbraw/zinc/66/80/32/266668032.db2.gz UYRZHDGVZOWRQG-HTQZYQBOSA-N 0 1 266.694 3.727 20 0 CHADMN CC[C@@]1(C)CCCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000362261957 266952608 /nfs/dbraw/zinc/95/26/08/266952608.db2.gz IQCGACIVDACTDZ-KRWDZBQOSA-N 0 1 285.391 3.524 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1nnc(-c2ccco2)o1 ZINC000362943070 267064276 /nfs/dbraw/zinc/06/42/76/267064276.db2.gz WYRKHWHNZSMZEJ-CYBMUJFWSA-N 0 1 289.379 3.874 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2cc(C)ccc2C)nn1C ZINC000362947860 267065669 /nfs/dbraw/zinc/06/56/69/267065669.db2.gz DHEQRIOBMXPPQD-GOSISDBHSA-N 0 1 283.419 3.682 20 0 CHADMN Oc1cc(F)cc(CN2CCC(c3ccsc3)CC2)c1 ZINC000363000561 267072475 /nfs/dbraw/zinc/07/24/75/267072475.db2.gz HHJMSNOXVIXLJH-UHFFFAOYSA-N 0 1 291.391 3.972 20 0 CHADMN CCOc1ccccc1[C@@H](CC)N[C@H]1CCCc2n[nH]cc21 ZINC000367535009 267096969 /nfs/dbraw/zinc/09/69/69/267096969.db2.gz ZTCLWUCCFPYWER-CVEARBPZSA-N 0 1 299.418 3.927 20 0 CHADMN CC(C)[C@H](NCc1cncn1C)c1ccccc1Cl ZINC000115619923 267101866 /nfs/dbraw/zinc/10/18/66/267101866.db2.gz MPBKWHQJZGYITQ-HNNXBMFYSA-N 0 1 277.799 3.560 20 0 CHADMN CCOC(CN1CC(C)(C)[C@@H]1c1cccs1)OCC ZINC000367866291 267123308 /nfs/dbraw/zinc/12/33/08/267123308.db2.gz SWNGKJMKAQAHBW-AWEZNQCLSA-N 0 1 283.437 3.530 20 0 CHADMN C[C@H]1Oc2cc(F)ccc2[C@@H]1NCc1cccc2[nH]ccc21 ZINC000367957434 267130346 /nfs/dbraw/zinc/13/03/46/267130346.db2.gz KNHVKUGUUMGPEO-ADLMAVQZSA-N 0 1 296.345 3.919 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN2CCCc3occc3C2)o1 ZINC000368130696 267146362 /nfs/dbraw/zinc/14/63/62/267146362.db2.gz FJXDQNQDCCTWHA-UHFFFAOYSA-N 0 1 297.358 3.520 20 0 CHADMN CC[C@@H](C)N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000368356694 267165381 /nfs/dbraw/zinc/16/53/81/267165381.db2.gz CVZQSNJYECHZDP-ABAIWWIYSA-N 0 1 277.799 3.551 20 0 CHADMN CN(CC1CC1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000368451905 267173615 /nfs/dbraw/zinc/17/36/15/267173615.db2.gz VZFFRIPWGCGISU-MRXNPFEDSA-N 0 1 287.794 3.561 20 0 CHADMN C[C@@H](CSC(C)(C)C)NCc1noc2c1CCCC2 ZINC000368593081 267190213 /nfs/dbraw/zinc/19/02/13/267190213.db2.gz NJQLAWZPXFSNPW-NSHDSACASA-N 0 1 282.453 3.563 20 0 CHADMN CCCCCN1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000369388150 267239346 /nfs/dbraw/zinc/23/93/46/267239346.db2.gz FLEZZNCKIYTROF-GFCCVEGCSA-N 0 1 296.436 3.565 20 0 CHADMN Cc1nc(CN2CC[C@](C)(c3ccc(C)cc3)C2)oc1C ZINC000369382590 267239541 /nfs/dbraw/zinc/23/95/41/267239541.db2.gz CMFPIYNZQXDKOO-SFHVURJKSA-N 0 1 284.403 3.763 20 0 CHADMN CC(C)(O)[C@H]1CCCN1Cc1csc(C2CCCC2)n1 ZINC000119047774 267294463 /nfs/dbraw/zinc/29/44/63/267294463.db2.gz MSGRZNVECYLFKJ-CQSZACIVSA-N 0 1 294.464 3.536 20 0 CHADMN CCOc1cc(C)ccc1CN[C@H](C)c1cnc(C)nc1C ZINC000119239486 267312536 /nfs/dbraw/zinc/31/25/36/267312536.db2.gz WHUIOKRJAUALED-CYBMUJFWSA-N 0 1 299.418 3.651 20 0 CHADMN Cc1c2ccccc2oc1CN[C@@H]1CCCc2c1cnn2C ZINC000120088839 267357016 /nfs/dbraw/zinc/35/70/16/267357016.db2.gz SSTXIYNRBAWRLD-OAHLLOKOSA-N 0 1 295.386 3.642 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1csc(C)n1)C1CC1 ZINC000120696864 267490911 /nfs/dbraw/zinc/49/09/11/267490911.db2.gz DUFSESAPAWNDBY-MNOVXSKESA-N 0 1 252.427 3.851 20 0 CHADMN OCCCN1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000375114766 267831848 /nfs/dbraw/zinc/83/18/48/267831848.db2.gz NNRICHCDLJEYKT-AWEZNQCLSA-N 0 1 287.325 3.615 20 0 CHADMN Cc1ccc(CNCc2cccc(-c3cccnc3)c2)o1 ZINC000376628725 268003782 /nfs/dbraw/zinc/00/37/82/268003782.db2.gz SZVGDIIAMBNXID-UHFFFAOYSA-N 0 1 278.355 3.940 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1coc(-c2cccs2)n1 ZINC000123465798 268055107 /nfs/dbraw/zinc/05/51/07/268055107.db2.gz FIKWNTVUGJRDBY-QWRGUYRKSA-N 0 1 262.378 3.776 20 0 CHADMN CC(C)n1ccnc1CN1CCC(C(C)(C)C)CC1 ZINC000172033405 335090751 /nfs/dbraw/zinc/09/07/51/335090751.db2.gz QYSJXFWOHBQOBC-UHFFFAOYSA-N 0 1 263.429 3.722 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H](C)c1cccnc1 ZINC000158485046 327629538 /nfs/dbraw/zinc/62/95/38/327629538.db2.gz QRHXSBNGDATACG-STQMWFEESA-N 0 1 286.423 3.753 20 0 CHADMN CCOc1ccc(Cl)cc1[C@H](C)NCc1ccn(C)c1 ZINC000158499095 327629847 /nfs/dbraw/zinc/62/98/47/327629847.db2.gz DNFMEXXPQCRIJS-LBPRGKRZSA-N 0 1 292.810 3.928 20 0 CHADMN C[C@H]1C[C@H](C)N1Cc1cnc(-c2ccsc2)s1 ZINC000580696733 327706794 /nfs/dbraw/zinc/70/67/94/327706794.db2.gz RJHRUPADFCJCSY-UWVGGRQHSA-N 0 1 264.419 3.854 20 0 CHADMN C[C@@H](N[C@@H]1CCO[C@@H](c2cccs2)C1)c1cscn1 ZINC000580157834 327715000 /nfs/dbraw/zinc/71/50/00/327715000.db2.gz QRNITPLDXIWNFY-NQBHXWOUSA-N 0 1 294.445 3.776 20 0 CHADMN C[C@@H](NCc1cc(F)cc(F)c1)c1ccsc1 ZINC000177720882 327727408 /nfs/dbraw/zinc/72/74/08/327727408.db2.gz UVFBRJSLRQSUON-SECBINFHSA-N 0 1 253.317 3.877 20 0 CHADMN C[C@H](NCc1ccccc1N(C)C)c1ccc(F)cc1F ZINC000171126665 327751797 /nfs/dbraw/zinc/75/17/97/327751797.db2.gz OQZQASNSOANLFR-LBPRGKRZSA-N 0 1 290.357 3.882 20 0 CHADMN Cc1ccc(CN[C@H]2C[C@@H]2C(F)F)c(Br)c1 ZINC000378696361 327752123 /nfs/dbraw/zinc/75/21/23/327752123.db2.gz GDWBHNVSLXKFEW-ONGXEEELSA-N 0 1 290.151 3.501 20 0 CHADMN CC[C@H](NCc1nc2ccccc2[nH]1)c1cccs1 ZINC000054375571 327894016 /nfs/dbraw/zinc/89/40/16/327894016.db2.gz NLBSCPGHYAOEEZ-NSHDSACASA-N 0 1 271.389 3.865 20 0 CHADMN CCc1ccc(/C=C\c2nc(C3(N)CCCC3)no2)cc1 ZINC000563121307 327926327 /nfs/dbraw/zinc/92/63/27/327926327.db2.gz KRROTLFTTRPXNW-KTKRTIGZSA-N 0 1 283.375 3.530 20 0 CHADMN F[C@@H]1CCC[C@@H]1NCc1ccccc1OC(F)(F)F ZINC000570979090 327968342 /nfs/dbraw/zinc/96/83/42/327968342.db2.gz NLYXAIIJCXTYRV-MNOVXSKESA-N 0 1 277.261 3.565 20 0 CHADMN CC1(C)[C@@H](c2ccccc2)CC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000563284540 328008578 /nfs/dbraw/zinc/00/85/78/328008578.db2.gz XNHHSZXRDLXXEF-OAHLLOKOSA-N 0 1 299.370 3.746 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000563277926 328006635 /nfs/dbraw/zinc/00/66/35/328006635.db2.gz PXIWOYNIUJTBGM-SJLPKXTDSA-N 0 1 289.419 3.684 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])s2)o1 ZINC000563277219 328006893 /nfs/dbraw/zinc/00/68/93/328006893.db2.gz KZDCYQPMFMUYKC-GFCCVEGCSA-N 0 1 291.372 3.685 20 0 CHADMN CC[C@@H](CC(F)(F)F)NCc1ncc(CSC)s1 ZINC000339349050 328007673 /nfs/dbraw/zinc/00/76/73/328007673.db2.gz LUBZTJSNDFWASD-QMMMGPOBSA-N 0 1 298.399 3.827 20 0 CHADMN Cc1csc(C(C)(C)NCc2cccc3cc[nH]c32)n1 ZINC000237928230 328010408 /nfs/dbraw/zinc/01/04/08/328010408.db2.gz VSMSUZYDJKYWJE-UHFFFAOYSA-N 0 1 285.416 3.958 20 0 CHADMN CCc1ccc(CNCCO[C@H]2CCCC[C@@H]2C)o1 ZINC000531603336 328020451 /nfs/dbraw/zinc/02/04/51/328020451.db2.gz QCTKQNRZAPIDRX-BBRMVZONSA-N 0 1 265.397 3.527 20 0 CHADMN COC[C@@H](CC(C)C)N[C@@H](c1ccccc1)c1ccccn1 ZINC000531692765 328024832 /nfs/dbraw/zinc/02/48/32/328024832.db2.gz ABERWIKGJDXJTM-MJGOQNOKSA-N 0 1 298.430 3.822 20 0 CHADMN Fc1ccc(CN[C@@H]2CCc3c2cccc3F)c(F)c1 ZINC000110058893 328031975 /nfs/dbraw/zinc/03/19/75/328031975.db2.gz CUMQFZRCFROBIG-MRXNPFEDSA-N 0 1 277.289 3.881 20 0 CHADMN COc1c(O)cccc1-c1nc2ccc(C)c(C)c2[nH]1 ZINC000534143703 328036695 /nfs/dbraw/zinc/03/66/95/328036695.db2.gz FXTUCFYYGNEOLD-UHFFFAOYSA-N 0 1 268.316 3.561 20 0 CHADMN C[N@@H+](Cc1cnn2ccccc12)[C@@H]1CCCc2ccccc21 ZINC000534332890 328045055 /nfs/dbraw/zinc/04/50/55/328045055.db2.gz AWAOLQBARUPNIX-LJQANCHMSA-N 0 1 291.398 3.844 20 0 CHADMN C[C@H](NC[C@H]1SCCc2ccccc21)c1cscn1 ZINC000534329046 328046052 /nfs/dbraw/zinc/04/60/52/328046052.db2.gz HQDGYJLGDHVINX-XHDPSFHLSA-N 0 1 290.457 3.824 20 0 CHADMN Cn1ccc(CN2CCC[C@@H]2c2cccc3ccccc32)n1 ZINC000534349069 328047534 /nfs/dbraw/zinc/04/75/34/328047534.db2.gz DJXZNQQVHUMXHA-LJQANCHMSA-N 0 1 291.398 3.910 20 0 CHADMN Cc1ccc([C@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000563402206 328062644 /nfs/dbraw/zinc/06/26/44/328062644.db2.gz HPXPXRSEIKXWAN-SFHVURJKSA-N 0 1 295.382 3.683 20 0 CHADMN CC1(C)CN(Cc2cc(-c3ccccc3)n[nH]2)[C@@H]1C1CC1 ZINC000563486928 328069340 /nfs/dbraw/zinc/06/93/40/328069340.db2.gz KGMYLENZHNZGDS-QGZVFWFLSA-N 0 1 281.403 3.697 20 0 CHADMN C[C@H](NCCCF)c1csc(-c2ccccc2F)n1 ZINC000563579685 328075140 /nfs/dbraw/zinc/07/51/40/328075140.db2.gz FKCWYBSDWFAGIF-JTQLQIEISA-N 0 1 282.359 3.959 20 0 CHADMN C[C@]1(C(=O)[O-])CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000262339982 328083093 /nfs/dbraw/zinc/08/30/93/328083093.db2.gz UECOVAMEOAXIIA-IBGZPJMESA-N 0 1 293.366 3.553 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])s2)[C@H]2CCCC[C@@H]12 ZINC000571171965 328090448 /nfs/dbraw/zinc/09/04/48/328090448.db2.gz GWHRVXHHMFACEK-XBFCOCLRSA-N 0 1 293.432 3.847 20 0 CHADMN CC[C@@H](N[C@H]1CC(C)(C)c2ccccc21)c1ccn(C)n1 ZINC000541740651 328102051 /nfs/dbraw/zinc/10/20/51/328102051.db2.gz ACBZNGJSSOOGEM-WBVHZDCISA-N 0 1 283.419 3.883 20 0 CHADMN CCc1nc(CN(CC)C2CC(C)(C)C2)cs1 ZINC000412041099 328102067 /nfs/dbraw/zinc/10/20/67/328102067.db2.gz SAOJIIQJKXRTDS-UHFFFAOYSA-N 0 1 252.427 3.716 20 0 CHADMN CC(C)n1ccc(CN[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)n1 ZINC000412090187 328103270 /nfs/dbraw/zinc/10/32/70/328103270.db2.gz YTINEGDUYDPNJB-CABCVRRESA-N 0 1 293.455 3.536 20 0 CHADMN Fc1ccc(C2(NCc3cnc(C4CC4)s3)CC2)cc1 ZINC000531883471 328115273 /nfs/dbraw/zinc/11/52/73/328115273.db2.gz QHPTZRPSZYZSHE-UHFFFAOYSA-N 0 1 288.391 3.939 20 0 CHADMN C[C@@H](O)[C@H](NCc1ccc(C2CC2)cc1)c1ccccc1F ZINC000571409480 328120180 /nfs/dbraw/zinc/12/01/80/328120180.db2.gz NHLMLFBJWGELNK-YJYMSZOUSA-N 0 1 299.389 3.915 20 0 CHADMN CC[N@@H+](CCc1c(C)noc1C)Cc1ccc(C)cc1 ZINC000534462584 328130452 /nfs/dbraw/zinc/13/04/52/328130452.db2.gz LNQHGUDANNGSBJ-UHFFFAOYSA-N 0 1 272.392 3.664 20 0 CHADMN CCCN(Cc1ccc(C)nn1)[C@H](C)c1ccccc1OC ZINC000414368134 328156000 /nfs/dbraw/zinc/15/60/00/328156000.db2.gz GIZIORNXYVRODJ-OAHLLOKOSA-N 0 1 299.418 3.767 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3ccc(C(C)C)cc32)nn1 ZINC000414432835 328169136 /nfs/dbraw/zinc/16/91/36/328169136.db2.gz MXZMTNVWKVSWBC-SFHVURJKSA-N 0 1 281.403 3.686 20 0 CHADMN O[C@H]1C[C@@H](c2ccccc2)N(Cc2cc(Cl)cs2)C1 ZINC000414492503 328187319 /nfs/dbraw/zinc/18/73/19/328187319.db2.gz ZDSYCHHJHUTJSI-ZFWWWQNUSA-N 0 1 293.819 3.709 20 0 CHADMN CC(C)Oc1ccc([C@@H](C)NCc2ccc(F)cn2)cc1 ZINC000269019508 328188656 /nfs/dbraw/zinc/18/86/56/328188656.db2.gz PMVDYJKVSQQXPC-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN CC(C)(C)c1ccncc1CNCc1ccsc1 ZINC000414496604 328188930 /nfs/dbraw/zinc/18/89/30/328188930.db2.gz IXVBSQRMJPTUQV-UHFFFAOYSA-N 0 1 260.406 3.730 20 0 CHADMN Clc1ccc([C@@H]2CN(CC3CCC3)CCO2)cc1 ZINC000173551142 329149149 /nfs/dbraw/zinc/14/91/49/329149149.db2.gz LVGZAHGHWQTNBT-HNNXBMFYSA-N 0 1 265.784 3.513 20 0 CHADMN Cc1ccc2cc(-c3nc([C@@H](N)CC(C)C)no3)ccc2n1 ZINC000414612363 328201353 /nfs/dbraw/zinc/20/13/53/328201353.db2.gz DQEJIJDAWKJPDG-AWEZNQCLSA-N 0 1 296.374 3.639 20 0 CHADMN CC[C@@H](CC(C)C)c1nc([C@@H](N)CC(C)C)no1 ZINC000414617593 328203435 /nfs/dbraw/zinc/20/34/35/328203435.db2.gz JBIWZEDTZFOSOZ-RYUDHWBXSA-N 0 1 253.390 3.655 20 0 CHADMN CC[C@H](CC(C)C)c1nc([C@@H](N)CC(C)C)no1 ZINC000414617590 328203619 /nfs/dbraw/zinc/20/36/19/328203619.db2.gz JBIWZEDTZFOSOZ-NEPJUHHUSA-N 0 1 253.390 3.655 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1Cc1ncc(-c2cccs2)o1 ZINC000177897762 329193793 /nfs/dbraw/zinc/19/37/93/329193793.db2.gz WEAPKIXDGQRHOO-WDEREUQCSA-N 0 1 262.378 3.633 20 0 CHADMN CC[C@H](CSC)N(C)Cc1cccc(O)c1Cl ZINC000353520422 328255900 /nfs/dbraw/zinc/25/59/00/328255900.db2.gz OQAZNQCGWVTKRS-LLVKDONJSA-N 0 1 273.829 3.619 20 0 CHADMN CC[C@H](N[C@H](C)c1n[nH]c(C)n1)c1cccc(Cl)c1 ZINC000392333087 329270535 /nfs/dbraw/zinc/27/05/35/329270535.db2.gz DMHAHOSCOBPWHJ-RNCFNFMXSA-N 0 1 278.787 3.568 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1cnc2ccsc2c1 ZINC000582955489 329293640 /nfs/dbraw/zinc/29/36/40/329293640.db2.gz RKAGJDHXBVVPBS-ADEWGFFLSA-N 0 1 264.369 3.838 20 0 CHADMN Cc1nc2ccc(NC(=O)C[C@@H](C)CC(C)C)cc2[nH]1 ZINC000340527146 328289033 /nfs/dbraw/zinc/28/90/33/328289033.db2.gz DPMKAPPACZSMNT-NSHDSACASA-N 0 1 273.380 3.882 20 0 CHADMN CCC1CCN(Cc2csc(-c3ccccn3)n2)CC1 ZINC000298811436 328297564 /nfs/dbraw/zinc/29/75/64/328297564.db2.gz SOCYTLROVCAUFJ-UHFFFAOYSA-N 0 1 287.432 3.827 20 0 CHADMN CCC[C@@H](N[C@H](C)c1nccnc1C)c1ccccc1 ZINC000187699082 328300849 /nfs/dbraw/zinc/30/08/49/328300849.db2.gz HEXUQELPLDZRKV-GDBMZVCRSA-N 0 1 269.392 3.977 20 0 CHADMN C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000471800186 328301043 /nfs/dbraw/zinc/30/10/43/328301043.db2.gz UNUJLCYRZSEALD-BXUZGUMPSA-N 0 1 291.391 3.509 20 0 CHADMN COc1cc(C)nc(C[N@H+]2CC[C@](C)(c3ccccc3)C2)c1 ZINC000534545665 328306191 /nfs/dbraw/zinc/30/61/91/328306191.db2.gz SYYALJAKYOZDIU-IBGZPJMESA-N 0 1 296.414 3.562 20 0 CHADMN CC[C@H](C)CN1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000534665944 328344952 /nfs/dbraw/zinc/34/49/52/328344952.db2.gz SJXAWRAWQYJRSN-SWLSCSKDSA-N 0 1 299.361 3.707 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCCOC(C)(C)C)n2)cc1 ZINC000049418341 328361428 /nfs/dbraw/zinc/36/14/28/328361428.db2.gz JEZZITLSXHRPAZ-UHFFFAOYSA-N 0 1 291.420 3.687 20 0 CHADMN CCCN(C)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000049480621 328364715 /nfs/dbraw/zinc/36/47/15/328364715.db2.gz DPLGVUBOWCYQLH-SECBINFHSA-N 0 1 289.206 3.662 20 0 CHADMN Cc1ccc2nc(-c3cnn(C(C)(C)C)c3)[nH]c2c1C ZINC000534879524 328367553 /nfs/dbraw/zinc/36/75/53/328367553.db2.gz KOSPTROYHMVROO-UHFFFAOYSA-N 0 1 268.364 3.798 20 0 CHADMN CC[C@@H](C)N(C)Cc1ccc(F)cc1Br ZINC000049595447 328374136 /nfs/dbraw/zinc/37/41/36/328374136.db2.gz RXLRXLQAXYDBGQ-SECBINFHSA-N 0 1 274.177 3.819 20 0 CHADMN CC(C)(C)c1nc(CN(CCO)C2CCCCC2)cs1 ZINC000050106526 328386664 /nfs/dbraw/zinc/38/66/64/328386664.db2.gz BSUIALXRTHFCSL-UHFFFAOYSA-N 0 1 296.480 3.568 20 0 CHADMN C[C@H](NCc1ccccc1CO)c1cnc2ccsc2c1 ZINC000305169619 328395288 /nfs/dbraw/zinc/39/52/88/328395288.db2.gz ZLMXDZRRDHHIAF-LBPRGKRZSA-N 0 1 298.411 3.639 20 0 CHADMN CS[C@@H]1CC[C@@H]1N[C@H](c1cccc(C)c1)c1ccccn1 ZINC000425337887 328467770 /nfs/dbraw/zinc/46/77/70/328467770.db2.gz AKRYUFDXRJRSDA-CGTJXYLNSA-N 0 1 298.455 3.963 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccn1)c1ccc(-n2cccn2)cc1 ZINC000152372501 328522218 /nfs/dbraw/zinc/52/22/18/328522218.db2.gz ZENXKQRBBOMXFC-HUUCEWRRSA-N 0 1 292.386 3.679 20 0 CHADMN C[C@@H]1OCC[C@@]1(C)NCc1csc(Cl)c1Cl ZINC000336780580 328524392 /nfs/dbraw/zinc/52/43/92/328524392.db2.gz RRVIDDFNPHGCRY-WRWORJQWSA-N 0 1 280.220 3.712 20 0 CHADMN C[C@@H](NCc1cc(CO)ccc1F)c1cccc(Cl)c1 ZINC000528469638 328606783 /nfs/dbraw/zinc/60/67/83/328606783.db2.gz OSBNABWYBAEWLO-LLVKDONJSA-N 0 1 293.769 3.822 20 0 CHADMN Fc1ccc(CNCc2cccnc2)c(C(F)(F)F)c1 ZINC000067667683 326795806 /nfs/dbraw/zinc/79/58/06/326795806.db2.gz FBKFKEFXEFCNPY-UHFFFAOYSA-N 0 1 284.256 3.529 20 0 CHADMN CCOc1ccccc1CNCc1ccc(CC)cc1 ZINC000219427850 326808870 /nfs/dbraw/zinc/80/88/70/326808870.db2.gz IGYZARWUQHJAEF-UHFFFAOYSA-N 0 1 269.388 3.938 20 0 CHADMN COc1ccc(CNCc2ccccc2Cl)cc1F ZINC000037329201 326846025 /nfs/dbraw/zinc/84/60/25/326846025.db2.gz ZFHSRAMOGJOYFT-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN CCOCc1ccccc1CNCc1cccc(F)c1F ZINC000037762459 326860094 /nfs/dbraw/zinc/86/00/94/326860094.db2.gz ISTGPEUBYJAUHP-UHFFFAOYSA-N 0 1 291.341 3.791 20 0 CHADMN COc1cccc([C@H](C)NCc2ccc(F)cc2F)c1 ZINC000037771346 326861129 /nfs/dbraw/zinc/86/11/29/326861129.db2.gz NCVXPXDCGBMMFN-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN CC[C@H](NCc1cnc(C)o1)c1ccc(Cl)cc1 ZINC000398121953 326871929 /nfs/dbraw/zinc/87/19/29/326871929.db2.gz XDCDXSSSVGJTFV-AWEZNQCLSA-N 0 1 264.756 3.877 20 0 CHADMN C[C@H]1CN(Cc2csc(-c3cccs3)n2)C[C@@H]1C ZINC000530732611 326888694 /nfs/dbraw/zinc/88/86/94/326888694.db2.gz AMCVZVVSYYDWEO-QWRGUYRKSA-N 0 1 278.446 3.959 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnccn1)c1cccc(Cl)c1 ZINC000070478046 326916953 /nfs/dbraw/zinc/91/69/53/326916953.db2.gz WJFVNMKZFPKOON-BXUZGUMPSA-N 0 1 275.783 3.932 20 0 CHADMN CCC(C)(C)OCCN[C@@H](C)c1ccc(F)cc1F ZINC000308749261 332772257 /nfs/dbraw/zinc/77/22/57/332772257.db2.gz SWNNCKONUYXQRP-NSHDSACASA-N 0 1 271.351 3.821 20 0 CHADMN C[C@H](NCCOc1ccccc1F)c1c(F)cccc1F ZINC000539227402 326934555 /nfs/dbraw/zinc/93/45/55/326934555.db2.gz RAMVKYNVDZYIGF-NSHDSACASA-N 0 1 295.304 3.834 20 0 CHADMN Cc1ccnc([C@H](C)NCc2ccc(C)c(F)c2)c1 ZINC000556858055 326973260 /nfs/dbraw/zinc/97/32/60/326973260.db2.gz LHAMSPZZNCFYID-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN COCC1(CN2CCc3sc(Cl)cc3C2)CCC1 ZINC000576035043 327010225 /nfs/dbraw/zinc/01/02/25/327010225.db2.gz BIXUIRSAEFWIHL-UHFFFAOYSA-N 0 1 285.840 3.576 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(F)c(F)c2)c(F)c1 ZINC000404662567 327063780 /nfs/dbraw/zinc/06/37/80/327063780.db2.gz SALVKKBHNVKBHV-JTQLQIEISA-N 0 1 295.304 3.963 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(F)c(F)c2)c(F)c1 ZINC000404662568 327063811 /nfs/dbraw/zinc/06/38/11/327063811.db2.gz SALVKKBHNVKBHV-SNVBAGLBSA-N 0 1 295.304 3.963 20 0 CHADMN CC[C@H](C[N@@H+](CC)CCCCC(=O)[O-])c1ccccc1 ZINC000584237190 327073189 /nfs/dbraw/zinc/07/31/89/327073189.db2.gz OOFXVPMOWDBTLT-OAHLLOKOSA-N 0 1 277.408 3.757 20 0 CHADMN COc1nc(C)cc(C)c1CNC1(c2ccccc2)CCC1 ZINC000558101363 327073869 /nfs/dbraw/zinc/07/38/69/327073869.db2.gz XLVGNCLYQNPRMU-UHFFFAOYSA-N 0 1 296.414 3.876 20 0 CHADMN COc1cc([C@H](C)N[C@@H](C)c2ccc(C)cc2)c(F)cn1 ZINC000558224983 327080159 /nfs/dbraw/zinc/08/01/59/327080159.db2.gz BBTHFNXAGOAHRV-STQMWFEESA-N 0 1 288.366 3.950 20 0 CHADMN CCO[C@@H]1C[C@H](Nc2ccc3c(c2)nc(C)n3C)C12CCC2 ZINC000558291034 327085702 /nfs/dbraw/zinc/08/57/02/327085702.db2.gz DMYKIEAANFICBA-DLBZAZTESA-N 0 1 299.418 3.641 20 0 CHADMN Cc1nc(C(C)C)ccc1CN(C)Cc1cccc(O)c1 ZINC000559106812 327141566 /nfs/dbraw/zinc/14/15/66/327141566.db2.gz FSFVWHDOWZWYKI-UHFFFAOYSA-N 0 1 284.403 3.851 20 0 CHADMN CC[C@H](C(=O)Nc1ccc(C)cc1)N(C)Cc1ccccc1 ZINC000559261828 327151923 /nfs/dbraw/zinc/15/19/23/327151923.db2.gz DFCPJPYKISGTOG-GOSISDBHSA-N 0 1 296.414 3.844 20 0 CHADMN Cc1cc(Cl)cc(CN[C@H](CO)c2ccccc2C)c1 ZINC000559273467 327153006 /nfs/dbraw/zinc/15/30/06/327153006.db2.gz PPWUKFWONFPABE-QGZVFWFLSA-N 0 1 289.806 3.780 20 0 CHADMN COc1ccc(CN[C@@H]2CCc3sc(Cl)cc32)cn1 ZINC000129497523 327156041 /nfs/dbraw/zinc/15/60/41/327156041.db2.gz MZQOAORUHJEALP-LLVKDONJSA-N 0 1 294.807 3.582 20 0 CHADMN C[C@@H](NC1CC(C)(C)C1)c1ncc(Br)s1 ZINC000518565647 327175722 /nfs/dbraw/zinc/17/57/22/327175722.db2.gz GXWAGAGLWLSIEB-SSDOTTSWSA-N 0 1 289.242 3.745 20 0 CHADMN C[C@H]1CN(Cc2ccc(C(F)F)cc2)CC2(CCC2)O1 ZINC000566185036 327159785 /nfs/dbraw/zinc/15/97/85/327159785.db2.gz UPOQRWIHKUFHEX-LBPRGKRZSA-N 0 1 281.346 3.768 20 0 CHADMN CC(C)Oc1ccc(CN2C[C@@H](C)[C@H]2C)cc1Cl ZINC000559350972 327166890 /nfs/dbraw/zinc/16/68/90/327166890.db2.gz WFXHVDZIAPRUNL-VXGBXAGGSA-N 0 1 267.800 3.967 20 0 CHADMN CCC[C@H]1CCC[N@H+]([C@@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000518546913 327173450 /nfs/dbraw/zinc/17/34/50/327173450.db2.gz QRXYDWTWONSXKY-STQMWFEESA-N 0 1 279.380 3.859 20 0 CHADMN C[C@H](NCc1ccn(C)c1)c1ccccc1Br ZINC000091007557 327182707 /nfs/dbraw/zinc/18/27/07/327182707.db2.gz CVCKBHLVAUMTHF-NSHDSACASA-N 0 1 293.208 3.638 20 0 CHADMN CCc1ccc([C@@H](C)NCc2c(C)noc2C)s1 ZINC000092328992 327192266 /nfs/dbraw/zinc/19/22/66/327192266.db2.gz DPVCCOVANUZUCY-SNVBAGLBSA-N 0 1 264.394 3.766 20 0 CHADMN COc1ccc(CNCc2occc2C)cc1Cl ZINC000132256419 327192434 /nfs/dbraw/zinc/19/24/34/327192434.db2.gz KDKGQFDCAMIVKU-UHFFFAOYSA-N 0 1 265.740 3.540 20 0 CHADMN FC(F)Oc1ccc(Cl)cc1CN[C@@H]1CCC[C@@H]1F ZINC000559359982 327194926 /nfs/dbraw/zinc/19/49/26/327194926.db2.gz XKIFTWVHLZSNNX-WDEREUQCSA-N 0 1 293.716 3.922 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2CCc3c2cccc3Cl)o1 ZINC000569564178 327198174 /nfs/dbraw/zinc/19/81/74/327198174.db2.gz YBTCPQNTMZFJMJ-CQSZACIVSA-N 0 1 290.794 3.976 20 0 CHADMN CCC1CCC(N[C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000236647161 327209920 /nfs/dbraw/zinc/20/99/20/327209920.db2.gz BPBJFGSWGBCVDA-HIFPTAJRSA-N 0 1 279.428 3.987 20 0 CHADMN Cc1cc(OCCCOc2ccccc2)cc(C)n1 ZINC000531007689 327213618 /nfs/dbraw/zinc/21/36/18/327213618.db2.gz OZQXOXJLSWLMEF-UHFFFAOYSA-N 0 1 257.333 3.546 20 0 CHADMN Cc1cc(C(=O)CN(C)C[C@H](C)c2ccccc2)c(C)n1C ZINC000531015963 327216185 /nfs/dbraw/zinc/21/61/85/327216185.db2.gz SOABGRQJXODIDH-AWEZNQCLSA-N 0 1 298.430 3.560 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)CCOC(C)(C)C ZINC000068322581 327227511 /nfs/dbraw/zinc/22/75/11/327227511.db2.gz UMIMBLGNNJTZIZ-LBPRGKRZSA-N 0 1 253.361 3.634 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2ncc(C3CC3)o2)CC1 ZINC000536367330 327232339 /nfs/dbraw/zinc/23/23/39/327232339.db2.gz ZYFJRPUOZUCBOE-CYBMUJFWSA-N 0 1 262.397 3.810 20 0 CHADMN COc1ccccc1C(C)(C)NCc1cccc(F)c1 ZINC000103172131 327233740 /nfs/dbraw/zinc/23/37/40/327233740.db2.gz JIOOMHHKWGGBJD-UHFFFAOYSA-N 0 1 273.351 3.859 20 0 CHADMN COc1ccccc1CNC(C)(C)c1ccccc1OC ZINC000103172136 327233846 /nfs/dbraw/zinc/23/38/46/327233846.db2.gz FTBUWAIOMVVRDB-UHFFFAOYSA-N 0 1 285.387 3.729 20 0 CHADMN FC(F)(F)c1ccc(CN2CCOCC23CCCC3)cc1 ZINC000536488519 327241244 /nfs/dbraw/zinc/24/12/44/327241244.db2.gz PNENAORNBVWFIZ-UHFFFAOYSA-N 0 1 299.336 3.850 20 0 CHADMN Cc1nsc(C)c1CN(C)CCOc1ccccc1C ZINC000555878074 327250032 /nfs/dbraw/zinc/25/00/32/327250032.db2.gz HJYLKOWATIZNHV-UHFFFAOYSA-N 0 1 290.432 3.579 20 0 CHADMN CC(C)[N@@H+](CC(=O)[O-])Cc1cccc(Oc2ccccc2)c1 ZINC000262101538 327251778 /nfs/dbraw/zinc/25/17/78/327251778.db2.gz IVHUPGXVXZQSRW-UHFFFAOYSA-N 0 1 299.370 3.774 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(CC(C)C)C(C)C)n[nH]2)cc1 ZINC000559698704 327258060 /nfs/dbraw/zinc/25/80/60/327258060.db2.gz FWJUCEHINZREEV-UHFFFAOYSA-N 0 1 299.418 3.892 20 0 CHADMN C[C@H](N[C@@H](C)c1cc2ccccc2o1)c1cnn(C)c1 ZINC000044497467 327267598 /nfs/dbraw/zinc/26/75/98/327267598.db2.gz AAXJNPLPCJZIPO-RYUDHWBXSA-N 0 1 269.348 3.578 20 0 CHADMN Cc1ccc(C[C@@H](NCC(C)(F)F)C(C)C)cc1 ZINC000559890495 327268321 /nfs/dbraw/zinc/26/83/21/327268321.db2.gz CEZDQBWCJJSAPE-CQSZACIVSA-N 0 1 255.352 3.807 20 0 CHADMN FC1(F)CCC[C@@H]1CNCc1csc(C2CC2)n1 ZINC000449496321 327282984 /nfs/dbraw/zinc/28/29/84/327282984.db2.gz PQMKENYDLNLLBS-SNVBAGLBSA-N 0 1 272.364 3.546 20 0 CHADMN CC(C)(CNC(=O)c1ccc2cncn2c1)C1=CCCCC1 ZINC000560118395 327285058 /nfs/dbraw/zinc/28/50/58/327285058.db2.gz CKSGZFIYLKSLNE-UHFFFAOYSA-N 0 1 297.402 3.591 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2CCCCCC(=O)[O-])c1 ZINC000574092511 327288943 /nfs/dbraw/zinc/28/89/43/327288943.db2.gz ROAUHANTGDPFCV-INIZCTEOSA-N 0 1 275.392 3.777 20 0 CHADMN C[C@H](CCc1ccccc1)N1CC(C(F)(F)F)C1 ZINC000560216647 327290902 /nfs/dbraw/zinc/29/09/02/327290902.db2.gz BERZKDNWHXBHRP-LLVKDONJSA-N 0 1 257.299 3.502 20 0 CHADMN Cc1nocc1CN1CCC(OCC2CCCCC2)CC1 ZINC000560449817 327308448 /nfs/dbraw/zinc/30/84/48/327308448.db2.gz VVUXMLUOTOGKBU-UHFFFAOYSA-N 0 1 292.423 3.544 20 0 CHADMN CC(C)c1nc(CN[C@@H](C)C(C)(F)F)c2ccccn21 ZINC000566336986 327320927 /nfs/dbraw/zinc/32/09/27/327320927.db2.gz BHPQWSXUCNWWJL-NSHDSACASA-N 0 1 281.350 3.591 20 0 CHADMN CC(C)(CC[NH2+]Cc1c(F)ccc([O-])c1F)C1CC1 ZINC000560622815 327331463 /nfs/dbraw/zinc/33/14/63/327331463.db2.gz OEDGARSLSGOQQP-UHFFFAOYSA-N 0 1 269.335 3.586 20 0 CHADMN c1ccc2c(CN3CCOC[C@@H]3CC3CCC3)ccnc2c1 ZINC000560628809 327331850 /nfs/dbraw/zinc/33/18/50/327331850.db2.gz GTEGANXRJGVWRN-KRWDZBQOSA-N 0 1 296.414 3.626 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1Cl ZINC000566358759 327334891 /nfs/dbraw/zinc/33/48/91/327334891.db2.gz MBTFFRWWKTWTBM-SWLSCSKDSA-N 0 1 293.794 3.803 20 0 CHADMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1cc(C(=O)[O-])oc1C)C1CC1 ZINC000566359367 327335864 /nfs/dbraw/zinc/33/58/64/327335864.db2.gz UWJLFHPCGNUONA-MNOVXSKESA-N 0 1 279.380 3.685 20 0 CHADMN CC(C)C[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000560729816 327339354 /nfs/dbraw/zinc/33/93/54/327339354.db2.gz PQQGNHWWWUEXEW-GZBFAFLISA-N 0 1 267.438 3.945 20 0 CHADMN CC(C)C[C@H](C)N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000560729816 327339355 /nfs/dbraw/zinc/33/93/55/327339355.db2.gz PQQGNHWWWUEXEW-GZBFAFLISA-N 0 1 267.438 3.945 20 0 CHADMN CC(C)C[C@H](C)[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000560729818 327339422 /nfs/dbraw/zinc/33/94/22/327339422.db2.gz PQQGNHWWWUEXEW-YDHLFZDLSA-N 0 1 267.438 3.945 20 0 CHADMN CC(C)C[C@H](C)N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000560729818 327339424 /nfs/dbraw/zinc/33/94/24/327339424.db2.gz PQQGNHWWWUEXEW-YDHLFZDLSA-N 0 1 267.438 3.945 20 0 CHADMN C[N@H+](Cc1ccc(Cl)cn1)C[C@@H]1CC=CCC1 ZINC000583404546 327347377 /nfs/dbraw/zinc/34/73/77/327347377.db2.gz ZNGJBEURVQPHPM-GFCCVEGCSA-N 0 1 250.773 3.523 20 0 CHADMN C[C@@H](NCCCc1ccsc1)c1nc(C(C)(C)C)no1 ZINC000583408294 327349323 /nfs/dbraw/zinc/34/93/23/327349323.db2.gz QVTAXKLFZFRMKW-LLVKDONJSA-N 0 1 293.436 3.712 20 0 CHADMN COc1cc(F)c(CNCc2ccc(C)s2)cc1OC ZINC000583445340 327370874 /nfs/dbraw/zinc/37/08/74/327370874.db2.gz IOFGDNRFBGMMHG-UHFFFAOYSA-N 0 1 295.379 3.503 20 0 CHADMN C[C@H]1C[C@H](CC[N@@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])C[C@@H](C)C1 ZINC000583446575 327371373 /nfs/dbraw/zinc/37/13/73/327371373.db2.gz JZZUKXCONUHDQC-RBZJEDDUSA-N 0 1 281.440 3.634 20 0 CHADMN COc1cccc(C2(NCc3ccc(C)c(F)c3)CC2)c1 ZINC000150908755 327397790 /nfs/dbraw/zinc/39/77/90/327397790.db2.gz IKLDTKVVSDNWJA-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN CCOc1ncccc1CN[C@H](C)c1ccc(CC)cc1 ZINC000151178424 327451528 /nfs/dbraw/zinc/45/15/28/327451528.db2.gz RHFCYJCEPUAVJK-CQSZACIVSA-N 0 1 284.403 3.894 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@@H](C)c2cccc(O)c2)cn1 ZINC000562924002 327525615 /nfs/dbraw/zinc/52/56/15/327525615.db2.gz UMEWHKGHYZPSJX-STQMWFEESA-N 0 1 273.380 3.581 20 0 CHADMN CCCC[C@@H](C)C(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000569717470 327542196 /nfs/dbraw/zinc/54/21/96/327542196.db2.gz ASSYFNCUFWMALT-LLVKDONJSA-N 0 1 287.363 3.547 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1cccc(OC)c1 ZINC000507523829 332812820 /nfs/dbraw/zinc/81/28/20/332812820.db2.gz IUALEUGBXKAAQS-CYBMUJFWSA-N 0 1 270.376 3.503 20 0 CHADMN CCC[C@@H](CC)S(=O)(=O)Nc1scnc1C(C)C ZINC000563891593 328643479 /nfs/dbraw/zinc/64/34/79/328643479.db2.gz ZZUJPJFFJZUOHK-SNVBAGLBSA-N 0 1 290.454 3.587 20 0 CHADMN C[C@@H](c1ccccc1)N1CCN(Cc2ccsc2)CC1 ZINC000536012343 328652183 /nfs/dbraw/zinc/65/21/83/328652183.db2.gz WGDOSKZALFECGX-HNNXBMFYSA-N 0 1 286.444 3.627 20 0 CHADMN c1nc(C2CC2)sc1CN[C@@H](c1cccnc1)C1CC1 ZINC000536100232 328656665 /nfs/dbraw/zinc/65/66/65/328656665.db2.gz ZMVLTOAAFWTQOC-OAHLLOKOSA-N 0 1 285.416 3.656 20 0 CHADMN CCC[C@H](N[C@@H](C)c1ccncn1)c1ccccc1 ZINC000395838191 328761488 /nfs/dbraw/zinc/76/14/88/328761488.db2.gz ZQIVFRDADSDDII-BBRMVZONSA-N 0 1 255.365 3.669 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)C(C)(C)C)c1ccncn1 ZINC000395936767 328782196 /nfs/dbraw/zinc/78/21/96/328782196.db2.gz ZMJYRYSELGRQBI-CJNGLKHVSA-N 0 1 269.392 3.915 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)N[C@H](CO)c1ccccc1C ZINC000532549915 328788662 /nfs/dbraw/zinc/78/86/62/328788662.db2.gz IZBLYMZXVHFSRQ-CRAIPNDOSA-N 0 1 299.414 3.696 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1ccncn1)c1ccc(F)cc1 ZINC000396064731 328797753 /nfs/dbraw/zinc/79/77/53/328797753.db2.gz YRPSANNGYOBIAM-WBMJQRKESA-N 0 1 273.355 3.664 20 0 CHADMN CCc1cnc(CN[C@@H]2CCC[C@@H]2c2ccccc2)o1 ZINC000527078472 328824555 /nfs/dbraw/zinc/82/45/55/328824555.db2.gz VBRAJKJAFDURCA-HZPDHXFCSA-N 0 1 270.376 3.663 20 0 CHADMN CC(C)CCOCCN[C@H]1CCc2c1c(F)ccc2F ZINC000507811865 332825588 /nfs/dbraw/zinc/82/55/88/332825588.db2.gz YYTIOYUDELGOSS-HNNXBMFYSA-N 0 1 283.362 3.604 20 0 CHADMN CC[C@@H](NCc1ccoc1C)c1ccc(OC)c(OC)c1 ZINC000358024746 328880970 /nfs/dbraw/zinc/88/09/70/328880970.db2.gz RXDBYDQQXQWJSA-OAHLLOKOSA-N 0 1 289.375 3.846 20 0 CHADMN Cc1cc(CN[C@H](CO)c2ccc(F)cc2)ccc1Cl ZINC000507898877 332829339 /nfs/dbraw/zinc/82/93/39/332829339.db2.gz OFCOWOUSDCXVMB-MRXNPFEDSA-N 0 1 293.769 3.611 20 0 CHADMN COc1ccc(F)cc1CNCc1cnc2ccccc2c1 ZINC000360963308 328912761 /nfs/dbraw/zinc/91/27/61/328912761.db2.gz BGIFSELCGBLXAA-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@@H]2CSc3ccccc32)cn1 ZINC000361400055 328923558 /nfs/dbraw/zinc/92/35/58/328923558.db2.gz LJDLDRLIUXZFGH-SWLSCSKDSA-N 0 1 287.432 3.962 20 0 CHADMN CCC[C@H](O)CN[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000361400829 328923612 /nfs/dbraw/zinc/92/36/12/328923612.db2.gz SGAKFQVASBQELJ-JSGCOSHPSA-N 0 1 290.432 3.622 20 0 CHADMN CCCc1nc(C)c(CNCc2ccc(CC)s2)o1 ZINC000582277236 328947109 /nfs/dbraw/zinc/94/71/09/328947109.db2.gz OIVSNQDHXPERSS-UHFFFAOYSA-N 0 1 278.421 3.849 20 0 CHADMN c1cc([C@@H]2CCCCN2CCCCC2CCOCC2)n[nH]1 ZINC000375641044 329004934 /nfs/dbraw/zinc/00/49/34/329004934.db2.gz LXICTURIRKDHTR-KRWDZBQOSA-N 0 1 291.439 3.534 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)no1 ZINC000377848115 329031718 /nfs/dbraw/zinc/03/17/18/329031718.db2.gz UIVMOBNWWFAISP-WBIUFABUSA-N 0 1 292.329 3.858 20 0 CHADMN c1sc(-c2ccccn2)nc1CN1CC2CCC1CC2 ZINC000378381125 329048137 /nfs/dbraw/zinc/04/81/37/329048137.db2.gz UOOOZRGGHAHHPA-UHFFFAOYSA-N 0 1 285.416 3.580 20 0 CHADMN CCC[C@@H](C)CC(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000522815277 329059171 /nfs/dbraw/zinc/05/91/71/329059171.db2.gz HAMJHNMQZPVLCW-GFCCVEGCSA-N 0 1 286.379 3.545 20 0 CHADMN CSC1(CNCc2csc(C(C)(C)C)n2)CCC1 ZINC000193652134 329060458 /nfs/dbraw/zinc/06/04/58/329060458.db2.gz YCDXDARVEUZAQF-UHFFFAOYSA-N 0 1 284.494 3.816 20 0 CHADMN C=Cn1cc(CN2C[C@@H](C)C[C@@H]2c2cccc(F)c2)cn1 ZINC000193982852 329064641 /nfs/dbraw/zinc/06/46/41/329064641.db2.gz BFGYOWXKEQUWOI-SUMWQHHRSA-N 0 1 285.366 3.706 20 0 CHADMN C=Cn1cc(CN2CC[C@H](C)C[C@@H]2c2ccc(C)o2)cn1 ZINC000194056141 329065244 /nfs/dbraw/zinc/06/52/44/329065244.db2.gz UGPPJAWJDINXAR-XJKSGUPXSA-N 0 1 285.391 3.858 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1nccn1C(F)F)C1CC1 ZINC000170931040 329072304 /nfs/dbraw/zinc/07/23/04/329072304.db2.gz WAYJQLBNKXZREY-WDEREUQCSA-N 0 1 271.355 3.677 20 0 CHADMN CC(C)N(Cc1coc(-c2ccc(F)c(F)c2)n1)C1CC1 ZINC000171499120 329076654 /nfs/dbraw/zinc/07/66/54/329076654.db2.gz IDGRYXGMKJDQLB-UHFFFAOYSA-N 0 1 292.329 3.993 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(F)cc2C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000393500611 329086568 /nfs/dbraw/zinc/08/65/68/329086568.db2.gz ZOYXAJLQRQATEW-CABCVRRESA-N 0 1 291.366 3.534 20 0 CHADMN CCC1CCN(Cc2cccc(C(=O)OC)c2Cl)CC1 ZINC000381482408 329111942 /nfs/dbraw/zinc/11/19/42/329111942.db2.gz AOZTYEWZKIYHMW-UHFFFAOYSA-N 0 1 295.810 3.749 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])CC1CCCC1 ZINC000582616954 329118545 /nfs/dbraw/zinc/11/85/45/329118545.db2.gz JIRFTTQXSYCUDO-MRXNPFEDSA-N 0 1 275.392 3.715 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC000394546354 329125814 /nfs/dbraw/zinc/12/58/14/329125814.db2.gz DUTNQVFIALQDJG-LBPRGKRZSA-N 0 1 281.783 3.803 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CCC[C@@H](C)[C@@H]1C ZINC000172861984 329139488 /nfs/dbraw/zinc/13/94/88/329139488.db2.gz CFGILXCQLJKNDU-HIFRSBDPSA-N 0 1 288.435 3.616 20 0 CHADMN c1nc2ccc(CNc3cccc(-c4cnco4)c3)cc2[nH]1 ZINC000532897622 329140402 /nfs/dbraw/zinc/14/04/02/329140402.db2.gz HIBIAAHONHTVCH-UHFFFAOYSA-N 0 1 290.326 3.830 20 0 CHADMN Cc1csc(CN(C)CCC2CCCCC2)n1 ZINC000173478470 329147121 /nfs/dbraw/zinc/14/71/21/329147121.db2.gz COBFIZYGSFXQJS-UHFFFAOYSA-N 0 1 252.427 3.854 20 0 CHADMN C[C@@H](NCc1ccc(OC2CCCC2)nc1)c1ccncc1 ZINC000173951212 329151587 /nfs/dbraw/zinc/15/15/87/329151587.db2.gz RGEVVSYEONEFPC-CQSZACIVSA-N 0 1 297.402 3.649 20 0 CHADMN c1csc(-c2noc(CN3CCC4(CCCC4)C3)n2)c1 ZINC000174268093 329156003 /nfs/dbraw/zinc/15/60/03/329156003.db2.gz JWOSFWJVHWAAOJ-UHFFFAOYSA-N 0 1 289.404 3.564 20 0 CHADMN CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CCC[C@@H]1C ZINC000174406866 329158562 /nfs/dbraw/zinc/15/85/62/329158562.db2.gz BXBHVHYJYYESEY-UONOGXRCSA-N 0 1 288.435 3.623 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2cc(-c3ccco3)on2)C1 ZINC000174476474 329159036 /nfs/dbraw/zinc/15/90/36/329159036.db2.gz AUIQKANOERRMPM-NEPJUHHUSA-N 0 1 260.337 3.555 20 0 CHADMN CCCCN(C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000175029422 329162161 /nfs/dbraw/zinc/16/21/61/329162161.db2.gz VJNHLYIYTKVWRA-UHFFFAOYSA-N 0 1 262.328 3.713 20 0 CHADMN CCc1cnc(CN(C)CC2CCCCC2)s1 ZINC000175506882 329169424 /nfs/dbraw/zinc/16/94/24/329169424.db2.gz ZPEOZUJJYLTXCC-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)NC/C=C/c1ccncc1 ZINC000486988560 329176947 /nfs/dbraw/zinc/17/69/47/329176947.db2.gz JJRPQPXOCBNLJA-ITDFMYJTSA-N 0 1 286.350 3.593 20 0 CHADMN Clc1cc(CN2CCS[C@H]3CCCC[C@@H]32)ccn1 ZINC000177202808 329182050 /nfs/dbraw/zinc/18/20/50/329182050.db2.gz MGDUFTCLWLFALO-STQMWFEESA-N 0 1 282.840 3.595 20 0 CHADMN C[C@H](N(C)Cc1coc(-c2ccccc2)n1)C1(C)CC1 ZINC000177219616 329182339 /nfs/dbraw/zinc/18/23/39/329182339.db2.gz QOPJGBGGCAZAEK-ZDUSSCGKSA-N 0 1 270.376 3.962 20 0 CHADMN CCc1cccc(C)c1NC(=O)c1cccc2cn[nH]c21 ZINC000177729536 329186633 /nfs/dbraw/zinc/18/66/33/329186633.db2.gz XKLCDKHHSJYUHR-UHFFFAOYSA-N 0 1 279.343 3.686 20 0 CHADMN CC[C@H](C)N(C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000177669842 329188949 /nfs/dbraw/zinc/18/89/49/329188949.db2.gz BQASLDDNINLNJV-NSHDSACASA-N 0 1 262.328 3.711 20 0 CHADMN CC(C)CC[C@@H]1CCCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000177900109 329193942 /nfs/dbraw/zinc/19/39/42/329193942.db2.gz FAUGUQBKUYKAQD-AWEZNQCLSA-N 0 1 289.423 3.718 20 0 CHADMN C[C@H](NCc1cc2ccccc2o1)c1cncc(F)c1 ZINC000178487101 329197571 /nfs/dbraw/zinc/19/75/71/329197571.db2.gz XXNJGHHSKYPUJC-NSHDSACASA-N 0 1 270.307 3.818 20 0 CHADMN OC[C@H]1c2ccccc2CCN1Cc1cc2ccccc2o1 ZINC000178545635 329198273 /nfs/dbraw/zinc/19/82/73/329198273.db2.gz WYPHPIKETORILN-SFHVURJKSA-N 0 1 293.366 3.525 20 0 CHADMN CC[C@H](N[C@@H](C)c1cn(C)nc1C)c1cc(F)ccc1F ZINC000178717063 329200013 /nfs/dbraw/zinc/20/00/13/329200013.db2.gz OUVFUYSFNJZJSL-QFYYESIMSA-N 0 1 293.361 3.809 20 0 CHADMN Cc1ccc(SCc2n[nH]c(C3CC3)n2)cc1C ZINC000179649286 329211011 /nfs/dbraw/zinc/21/10/11/329211011.db2.gz ITWIQWXCHJOXDB-UHFFFAOYSA-N 0 1 259.378 3.591 20 0 CHADMN Cc1ncccc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000180155603 329217896 /nfs/dbraw/zinc/21/78/96/329217896.db2.gz NQCVYCRCGONUIP-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN CCS[C@@H]1CC[C@@H](N(C)Cc2ncc(C)s2)C1 ZINC000180523546 329220255 /nfs/dbraw/zinc/22/02/55/329220255.db2.gz IJLLSQVJLUVHAE-VXGBXAGGSA-N 0 1 270.467 3.558 20 0 CHADMN CC(C)n1cc(CN(CCC(F)(F)F)CC2CC2)cn1 ZINC000180537592 329220478 /nfs/dbraw/zinc/22/04/78/329220478.db2.gz BLNGHOIJWUHSOG-UHFFFAOYSA-N 0 1 289.345 3.628 20 0 CHADMN C(=C/[C@H]1CCCCCN1Cc1cncnc1)\c1cccs1 ZINC000180843195 329223484 /nfs/dbraw/zinc/22/34/84/329223484.db2.gz TXUIGSRGYRPUEF-KXPUMZMLSA-N 0 1 299.443 3.996 20 0 CHADMN CC[C@H](NCc1cncc(C)c1)c1cc(C)ccc1OC ZINC000181835021 329237620 /nfs/dbraw/zinc/23/76/20/329237620.db2.gz QXOVPOVUJFJHMD-KRWDZBQOSA-N 0 1 284.403 3.948 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)[C@H](c2ccco2)C1 ZINC000182818819 329242176 /nfs/dbraw/zinc/24/21/76/329242176.db2.gz YSOJWMUDZROJLM-YOEHRIQHSA-N 0 1 285.387 3.745 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2cnn(CC(C)C)c2)n1 ZINC000183312030 329249393 /nfs/dbraw/zinc/24/93/93/329249393.db2.gz CDRFKIBNZMFJEV-GOSISDBHSA-N 0 1 298.434 3.580 20 0 CHADMN Cc1oc2ccccc2c1CNCc1cnn2ccccc12 ZINC000183918131 329254496 /nfs/dbraw/zinc/25/44/96/329254496.db2.gz OVKQYFMXTCUUJO-UHFFFAOYSA-N 0 1 291.354 3.679 20 0 CHADMN C[C@@H]1SCC[N@@H+](Cc2ccc(C(F)F)cc2)[C@H]1C ZINC000183948592 329254987 /nfs/dbraw/zinc/25/49/87/329254987.db2.gz INQAOIOOYBZJML-QWRGUYRKSA-N 0 1 271.376 3.950 20 0 CHADMN C[C@H](N[C@H]1COCc2ccccc21)c1ccsc1 ZINC000225998625 329256448 /nfs/dbraw/zinc/25/64/48/329256448.db2.gz GTKCGVXUHVHFOS-NHYWBVRUSA-N 0 1 259.374 3.670 20 0 CHADMN O=C(Cc1ccoc1)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000184510690 329259523 /nfs/dbraw/zinc/25/95/23/329259523.db2.gz LHINBXMIQJALOB-UHFFFAOYSA-N 0 1 295.342 3.605 20 0 CHADMN CCOc1cc(CN2CCCC3(CC3)C2)cc(Cl)c1O ZINC000459517002 329270240 /nfs/dbraw/zinc/27/02/40/329270240.db2.gz FCYFVINTHFPLPH-UHFFFAOYSA-N 0 1 295.810 3.820 20 0 CHADMN CC[C@@H](N[C@H](C)c1n[nH]c(C)n1)c1cccc(Cl)c1 ZINC000392333086 329270524 /nfs/dbraw/zinc/27/05/24/329270524.db2.gz DMHAHOSCOBPWHJ-NOZJJQNGSA-N 0 1 278.787 3.568 20 0 CHADMN C[N@@H+](CCC(=O)[O-])[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000582856175 329281314 /nfs/dbraw/zinc/28/13/14/329281314.db2.gz DESBVKALSOCWQV-INIZCTEOSA-N 0 1 295.810 3.978 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000582910275 329287163 /nfs/dbraw/zinc/28/71/63/329287163.db2.gz HTSJFSYFFQNJPM-INIZCTEOSA-N 0 1 289.419 3.503 20 0 CHADMN C[C@H]1CN(CCc2cccc(Cl)c2)CCC1(F)F ZINC000459556471 329328073 /nfs/dbraw/zinc/32/80/73/329328073.db2.gz BHDZOBAEHKTFDW-NSHDSACASA-N 0 1 273.754 3.860 20 0 CHADMN CCc1cccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000583172931 329332438 /nfs/dbraw/zinc/33/24/38/329332438.db2.gz OSHIWNFSIDWDGY-ZWKOTPCHSA-N 0 1 285.431 3.783 20 0 CHADMN CCc1nocc1CN(C)CCc1cccc(Cl)c1 ZINC000459585373 329338402 /nfs/dbraw/zinc/33/84/02/329338402.db2.gz IBVOCBIJAIPKAZ-UHFFFAOYSA-N 0 1 278.783 3.565 20 0 CHADMN CCN(Cc1cccs1)Cc1cc(O)cc(F)c1 ZINC000186164457 329338548 /nfs/dbraw/zinc/33/85/48/329338548.db2.gz FCJXZEWUEQETPI-UHFFFAOYSA-N 0 1 265.353 3.615 20 0 CHADMN Cc1nc(C)c(CN2Cc3ccccc3C3(CC3)C2)s1 ZINC000186167733 329338780 /nfs/dbraw/zinc/33/87/80/329338780.db2.gz DXUXXABNNUEADA-UHFFFAOYSA-N 0 1 284.428 3.807 20 0 CHADMN COc1ccc([C@H](C)[N@@H+](C)Cc2cc(O)cc(F)c2)cc1 ZINC000186174168 329338888 /nfs/dbraw/zinc/33/88/88/329338888.db2.gz SPPVGFDRQKKROB-LBPRGKRZSA-N 0 1 289.350 3.733 20 0 CHADMN COc1cccc2c1CCC[C@@H]2NCc1occc1C ZINC000583180220 329343729 /nfs/dbraw/zinc/34/37/29/329343729.db2.gz SYTCBEMSMRGYCC-HNNXBMFYSA-N 0 1 271.360 3.764 20 0 CHADMN CCc1noc([C@H](C)N2CCC(CC)(CC)CC2)n1 ZINC000186538283 329345173 /nfs/dbraw/zinc/34/51/73/329345173.db2.gz PCXSARCMHQBVOQ-LBPRGKRZSA-N 0 1 265.401 3.595 20 0 CHADMN Cc1ccc(CN2C[C@H](C)[C@@H]2c2ccccc2)c(C)n1 ZINC000187121692 329353659 /nfs/dbraw/zinc/35/36/59/329353659.db2.gz GMNKHKOYONGREM-SCLBCKFNSA-N 0 1 266.388 3.891 20 0 CHADMN C[C@@H]1CCCCN(Cc2csc(C3CC3)n2)C1 ZINC000187972640 329361918 /nfs/dbraw/zinc/36/19/18/329361918.db2.gz PELGSNVYEQGCKC-LLVKDONJSA-N 0 1 250.411 3.643 20 0 CHADMN Cc1ccccc1Cc1nnc(CN2CCCC[C@@H](C)C2)o1 ZINC000187990084 329364790 /nfs/dbraw/zinc/36/47/90/329364790.db2.gz TWNGGCWJQJIDSB-CQSZACIVSA-N 0 1 299.418 3.591 20 0 CHADMN C[C@H]1C[N@@H+](Cc2occc2C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000583209906 329365867 /nfs/dbraw/zinc/36/58/67/329365867.db2.gz XJVKUTXBAUMISJ-ZFWWWQNUSA-N 0 1 299.370 3.603 20 0 CHADMN OC[C@@H](NC1CCCC1)c1c(Cl)cccc1Cl ZINC000038122859 329372618 /nfs/dbraw/zinc/37/26/18/329372618.db2.gz TZCNWCDLZUEDLH-GFCCVEGCSA-N 0 1 274.191 3.559 20 0 CHADMN Cc1ccc(-c2nnc(CN3CCC[C@H](C)CC3)o2)cc1 ZINC000063302499 329378464 /nfs/dbraw/zinc/37/84/64/329378464.db2.gz QMZRKBHINYJQCL-ZDUSSCGKSA-N 0 1 285.391 3.667 20 0 CHADMN Cc1ccncc1CN[C@H](C)c1csc(Cl)c1 ZINC000235189920 329436323 /nfs/dbraw/zinc/43/63/23/329436323.db2.gz SLLUBQDSURKFHH-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Clc1cccc([C@@H]2CC[C@@H](NCc3ncccn3)C2)c1 ZINC000584481405 329500494 /nfs/dbraw/zinc/50/04/94/329500494.db2.gz NEPPSBLASOBOTC-UKRRQHHQSA-N 0 1 287.794 3.556 20 0 CHADMN C[C@@H](NCc1cncs1)c1cc2ccccc2o1 ZINC000054770902 329672303 /nfs/dbraw/zinc/67/23/03/329672303.db2.gz AZLOXPUBFORIRA-SNVBAGLBSA-N 0 1 258.346 3.740 20 0 CHADMN Cc1cc(C)cc(CN[C@H]2c3ccccc3O[C@@H]2C)c1 ZINC000564124629 329697890 /nfs/dbraw/zinc/69/78/90/329697890.db2.gz SHIUHVCXGNWVCE-RDTXWAMCSA-N 0 1 267.372 3.915 20 0 CHADMN OC[C@H](CC1CCCC1)Nc1ccnc2cc(F)ccc21 ZINC000509531717 332872672 /nfs/dbraw/zinc/87/26/72/332872672.db2.gz FZTBOQOSDITOQQ-AWEZNQCLSA-N 0 1 288.366 3.727 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(C3CC3)cc2)nc1 ZINC000419343723 329718759 /nfs/dbraw/zinc/71/87/59/329718759.db2.gz RCJPUWNGWJUFML-CYBMUJFWSA-N 0 1 282.387 3.818 20 0 CHADMN COc1ccnc(CN[C@@H](C)c2ccc(C3CC3)cc2)c1 ZINC000419351693 329719377 /nfs/dbraw/zinc/71/93/77/329719377.db2.gz JMIGDTIUBTTYIT-ZDUSSCGKSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1ccc(CN[C@@H](CC(F)F)c2ccccc2)nc1 ZINC000420991266 329796163 /nfs/dbraw/zinc/79/61/63/329796163.db2.gz ILMKWPGOBBDCIP-HNNXBMFYSA-N 0 1 276.330 3.876 20 0 CHADMN Cc1cc(CNCc2ccc(Cl)cc2F)cc(C)n1 ZINC000421374889 329816333 /nfs/dbraw/zinc/81/63/33/329816333.db2.gz HZTALVZMKBTQMM-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN Oc1cccc(CN[C@H](CC(F)F)c2ccccc2)c1 ZINC000421375209 329816489 /nfs/dbraw/zinc/81/64/89/329816489.db2.gz QBNVRXIHVSMNAF-OAHLLOKOSA-N 0 1 277.314 3.878 20 0 CHADMN Cn1cccc1CN[C@H](CC(F)F)c1ccccc1 ZINC000421376072 329816671 /nfs/dbraw/zinc/81/66/71/329816671.db2.gz RAWJXBWUGPFXAR-CQSZACIVSA-N 0 1 264.319 3.511 20 0 CHADMN Cc1cc(CNCc2ccccc2OC(F)F)cc(C)n1 ZINC000421392547 329820309 /nfs/dbraw/zinc/82/03/09/329820309.db2.gz XIYQEYLCUCYZEN-UHFFFAOYSA-N 0 1 292.329 3.590 20 0 CHADMN Cc1c(Cl)c(CN[C@@H](C)[C@@H](C)c2ccccc2)nn1C ZINC000421367755 329823860 /nfs/dbraw/zinc/82/38/60/329823860.db2.gz UFZVPXWVBQYQPI-NEPJUHHUSA-N 0 1 291.826 3.664 20 0 CHADMN C[C@@H](NC[C@H]1CC[C@@H](C)O1)c1ncc(-c2ccccc2)o1 ZINC000249161503 329905293 /nfs/dbraw/zinc/90/52/93/329905293.db2.gz ZWAREVDEJPTZHN-UMVBOHGHSA-N 0 1 286.375 3.560 20 0 CHADMN CCCCN(CCOC)Cc1nc2ccc(F)cc2s1 ZINC000432747284 330017541 /nfs/dbraw/zinc/01/75/41/330017541.db2.gz NOFLAHBTIMUWQT-UHFFFAOYSA-N 0 1 296.411 3.684 20 0 CHADMN Cc1ccccc1-c1cccc(C[N@@H+](C)CCC(=O)[O-])c1 ZINC000262929729 330037039 /nfs/dbraw/zinc/03/70/39/330037039.db2.gz AEFFKBAXUCHNCK-UHFFFAOYSA-N 0 1 283.371 3.569 20 0 CHADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000262936618 330037366 /nfs/dbraw/zinc/03/73/66/330037366.db2.gz BWHQBCCLHSKGPI-LJQANCHMSA-N 0 1 297.398 3.569 20 0 CHADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cc2ccccc2s1 ZINC000263346885 330052662 /nfs/dbraw/zinc/05/26/62/330052662.db2.gz OVQSVHXEQLJXCC-DGCLKSJQSA-N 0 1 289.400 3.586 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000263370277 330053096 /nfs/dbraw/zinc/05/30/96/330053096.db2.gz VEBVWLBMZPMVLH-CQSZACIVSA-N 0 1 299.370 3.631 20 0 CHADMN CC[N@@H+](Cc1cccc(C(=O)[O-])c1)[C@H](C)c1cccc(O)c1 ZINC000263379274 330053286 /nfs/dbraw/zinc/05/32/86/330053286.db2.gz COJLEDZNPXBEFR-CYBMUJFWSA-N 0 1 299.370 3.674 20 0 CHADMN C[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(-c2ccccc2Cl)o1 ZINC000263376842 330053410 /nfs/dbraw/zinc/05/34/10/330053410.db2.gz AUJJCJDUDNGMPQ-JTQLQIEISA-N 0 1 293.750 3.505 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccccc2Cl)o1 ZINC000263376842 330053411 /nfs/dbraw/zinc/05/34/11/330053411.db2.gz AUJJCJDUDNGMPQ-JTQLQIEISA-N 0 1 293.750 3.505 20 0 CHADMN C[C@@H](C1CCCCC1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000263412912 330054528 /nfs/dbraw/zinc/05/45/28/330054528.db2.gz LZYWAGHTHDSYDN-ZDUSSCGKSA-N 0 1 275.392 3.785 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC000263438863 330055836 /nfs/dbraw/zinc/05/58/36/330055836.db2.gz VPAVTSWHUMFGGL-SFHVURJKSA-N 0 1 295.382 3.764 20 0 CHADMN Cc1c(C[N@@H+](C)CCC(=O)[O-])sc2c1cccc2Cl ZINC000263439232 330055898 /nfs/dbraw/zinc/05/58/98/330055898.db2.gz VUMGOTSTGFNBOO-UHFFFAOYSA-N 0 1 297.807 3.770 20 0 CHADMN C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000263451691 330056462 /nfs/dbraw/zinc/05/64/62/330056462.db2.gz ZXEGRTGXQIDSQS-ZIAGYGMSSA-N 0 1 291.435 3.568 20 0 CHADMN Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000263474867 330057179 /nfs/dbraw/zinc/05/71/79/330057179.db2.gz MHWPUHLHGXBAQN-OAHLLOKOSA-N 0 1 297.398 3.756 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CC1 ZINC000263484550 330057396 /nfs/dbraw/zinc/05/73/96/330057396.db2.gz OZZFCYPNLOBODL-LBPRGKRZSA-N 0 1 285.343 3.703 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263482041 330057484 /nfs/dbraw/zinc/05/74/84/330057484.db2.gz OEYGGBXABHTASP-BBRMVZONSA-N 0 1 275.392 3.785 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000263577836 330059976 /nfs/dbraw/zinc/05/99/76/330059976.db2.gz RYADGBUYIVBOLF-OAHLLOKOSA-N 0 1 287.384 3.783 20 0 CHADMN Cc1ccccc1[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000572413744 330064974 /nfs/dbraw/zinc/06/49/74/330064974.db2.gz RAHLIKSGAYDNHD-SJLPKXTDSA-N 0 1 295.382 3.610 20 0 CHADMN Cc1nc(CNC(C)(C)c2ccccc2)sc1C ZINC000268028541 330065190 /nfs/dbraw/zinc/06/51/90/330065190.db2.gz LQMPXAPXVCNMCW-UHFFFAOYSA-N 0 1 260.406 3.785 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)[C@@]34C[C@@H]3CCC4)c2C1 ZINC000421785448 330078272 /nfs/dbraw/zinc/07/82/72/330078272.db2.gz MYJNQCWTEVAROS-KXBFYZLASA-N 0 1 298.430 3.787 20 0 CHADMN COc1cc(Cl)ccc1[C@H](C)NCc1cncc(C)c1 ZINC000421830565 330084526 /nfs/dbraw/zinc/08/45/26/330084526.db2.gz CAXZXFDOXJPVQI-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN COCc1cccc(CN[C@H](C)c2ccncc2Cl)c1 ZINC000421821678 330086949 /nfs/dbraw/zinc/08/69/49/330086949.db2.gz SRDVLMOLRLXBOX-GFCCVEGCSA-N 0 1 290.794 3.732 20 0 CHADMN COCc1cccc(CN[C@@H](C)c2ccncc2Cl)c1 ZINC000421821679 330087025 /nfs/dbraw/zinc/08/70/25/330087025.db2.gz SRDVLMOLRLXBOX-LBPRGKRZSA-N 0 1 290.794 3.732 20 0 CHADMN Cc1cscc1CN[C@@H](C)c1ccncc1Cl ZINC000421858660 330089911 /nfs/dbraw/zinc/08/99/11/330089911.db2.gz RTANCISIKJNLDB-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@@H](C)c1ccncc1Cl ZINC000421834817 330091628 /nfs/dbraw/zinc/09/16/28/330091628.db2.gz CVVFMXKMJORBPA-SFYZADRCSA-N 0 1 266.694 3.727 20 0 CHADMN C[C@@H](CC(F)(F)F)N[C@@H](C)c1ccncc1Cl ZINC000421834819 330091707 /nfs/dbraw/zinc/09/17/07/330091707.db2.gz CVVFMXKMJORBPA-YUMQZZPRSA-N 0 1 266.694 3.727 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(F)cn2)C(C)C)cc(C)n1 ZINC000421860884 330098014 /nfs/dbraw/zinc/09/80/14/330098014.db2.gz UPVRXGFGWZDPHH-KRWDZBQOSA-N 0 1 287.382 3.719 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421866299 330099357 /nfs/dbraw/zinc/09/93/57/330099357.db2.gz NSYDSPDJTXYWMT-IWSPIJDZSA-N 0 1 283.730 3.559 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H](c2ccccc2F)[C@@H](C)O)c1 ZINC000574995080 330126056 /nfs/dbraw/zinc/12/60/56/330126056.db2.gz VPLAJIIBCWCPLQ-PMUMKWKESA-N 0 1 287.378 3.907 20 0 CHADMN C[C@@H](N[C@H]1COC(C)(C)C1)c1ccccc1Br ZINC000396842906 330227174 /nfs/dbraw/zinc/22/71/74/330227174.db2.gz IROSVNPTYZHRPB-GHMZBOCLSA-N 0 1 298.224 3.667 20 0 CHADMN CC(C)C[C@H]1CCCN1Cc1cncc(Br)c1 ZINC000396892611 330228479 /nfs/dbraw/zinc/22/84/79/330228479.db2.gz XRLCTRDKPKFWLD-CQSZACIVSA-N 0 1 297.240 3.855 20 0 CHADMN Cc1cc(C)c(CNCc2ccc(Cl)s2)cn1 ZINC000396992411 330235575 /nfs/dbraw/zinc/23/55/75/330235575.db2.gz VJYLWLWANDLPTG-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN Cc1nnc(CN[C@H](C)[C@@H](C)c2ccc(Cl)cc2)s1 ZINC000527235110 330239704 /nfs/dbraw/zinc/23/97/04/330239704.db2.gz QICCPCQFDSRXCO-NXEZZACHSA-N 0 1 295.839 3.782 20 0 CHADMN CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cccc([O-])c1Cl ZINC000399626395 330245337 /nfs/dbraw/zinc/24/53/37/330245337.db2.gz SYYSIICMQXMZFQ-ZYHUDNBSSA-N 0 1 253.773 3.666 20 0 CHADMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cccc([O-])c1Cl ZINC000399626395 330245339 /nfs/dbraw/zinc/24/53/39/330245339.db2.gz SYYSIICMQXMZFQ-ZYHUDNBSSA-N 0 1 253.773 3.666 20 0 CHADMN CN(Cc1cccc(OC(F)(F)F)c1)CC1(F)CC1 ZINC000527512714 330255496 /nfs/dbraw/zinc/25/54/96/330255496.db2.gz LMIQFWJLIYDKBY-UHFFFAOYSA-N 0 1 277.261 3.519 20 0 CHADMN CCc1cccc(F)c1CNCc1ccc(OC)cc1C ZINC000527529328 330258037 /nfs/dbraw/zinc/25/80/37/330258037.db2.gz VVTUDMVEPBDCHG-UHFFFAOYSA-N 0 1 287.378 3.995 20 0 CHADMN C[C@@H](N[C@H](c1nccn1C)c1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000527634182 330267273 /nfs/dbraw/zinc/26/72/73/330267273.db2.gz BWWRHBWUZMTUBG-QCSYZSNVSA-N 0 1 295.430 3.534 20 0 CHADMN CC(C)Cc1ccccc1CNCc1cncs1 ZINC000527732500 330278428 /nfs/dbraw/zinc/27/84/28/330278428.db2.gz IPHXMLSUNPAILO-UHFFFAOYSA-N 0 1 260.406 3.631 20 0 CHADMN Fc1ccc(CN[C@H](c2ccccn2)C2CCC2)cc1 ZINC000527770272 330281909 /nfs/dbraw/zinc/28/19/09/330281909.db2.gz DYRBPDMXTWLIEP-KRWDZBQOSA-N 0 1 270.351 3.852 20 0 CHADMN C[C@H](N[C@@H](c1ccccn1)C1CCC1)c1cncc(F)c1 ZINC000527772506 330282030 /nfs/dbraw/zinc/28/20/30/330282030.db2.gz OOKQJEAEZSUCFE-YVEFUNNKSA-N 0 1 285.366 3.808 20 0 CHADMN CC[C@@H](NCc1nc(C)c(C)[nH]1)c1cc(C)ccc1C ZINC000527817927 330282851 /nfs/dbraw/zinc/28/28/51/330282851.db2.gz DYFDXQWQTUOMOV-MRXNPFEDSA-N 0 1 271.408 3.884 20 0 CHADMN Cc1ncccc1CNCc1ccc(C(F)(F)F)s1 ZINC000527792512 330283713 /nfs/dbraw/zinc/28/37/13/330283713.db2.gz APPOEDDDLVXLHI-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CC(C)n1cc(CN[C@H]2CCc3cc(Cl)ccc32)cn1 ZINC000527796472 330283920 /nfs/dbraw/zinc/28/39/20/330283920.db2.gz YDTFSAZADQXSJC-INIZCTEOSA-N 0 1 289.810 3.895 20 0 CHADMN Cc1c[nH]nc1CN[C@H](c1cccc(C)c1)C(C)C ZINC000527805941 330284333 /nfs/dbraw/zinc/28/43/33/330284333.db2.gz CTRQNQLJUBDMHL-INIZCTEOSA-N 0 1 257.381 3.513 20 0 CHADMN C[C@H](N[C@H]1CCc2cc(F)c(Cl)cc21)c1cnn(C)c1 ZINC000527870436 330286156 /nfs/dbraw/zinc/28/61/56/330286156.db2.gz SDWKIRSUOLJFNJ-VFZGTOFNSA-N 0 1 293.773 3.551 20 0 CHADMN CC[C@H](NCc1snnc1C)c1cc(C)ccc1C ZINC000527902962 330289454 /nfs/dbraw/zinc/28/94/54/330289454.db2.gz PBEXDHXTVJWLPK-AWEZNQCLSA-N 0 1 275.421 3.704 20 0 CHADMN CC(C)c1nc(CN[C@H](C)c2cccc(C(C)C)c2)n[nH]1 ZINC000527906010 330290108 /nfs/dbraw/zinc/29/01/08/330290108.db2.gz YPJUCVFRQNAIOX-CYBMUJFWSA-N 0 1 286.423 3.902 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(C(C)C)c2)n(C)n1 ZINC000527898754 330293085 /nfs/dbraw/zinc/29/30/85/330293085.db2.gz LMZIECYXAQCWCM-CQSZACIVSA-N 0 1 271.408 3.703 20 0 CHADMN FC(F)[C@H](CCc1ccccc1)NCC1CC=CC1 ZINC000527947777 330294385 /nfs/dbraw/zinc/29/43/85/330294385.db2.gz KOSZUCHLTLAHKH-HNNXBMFYSA-N 0 1 265.347 3.809 20 0 CHADMN CC[C@H](NCc1ccccc1CC(C)C)c1nccn1C ZINC000527919721 330295475 /nfs/dbraw/zinc/29/54/75/330295475.db2.gz JTLYTKJFWKJADT-KRWDZBQOSA-N 0 1 285.435 3.860 20 0 CHADMN COCCC1CCN([C@@H](C)c2ccncc2Cl)CC1 ZINC000527932388 330297393 /nfs/dbraw/zinc/29/73/93/330297393.db2.gz BZCBJGFWXXDVCS-LBPRGKRZSA-N 0 1 282.815 3.545 20 0 CHADMN Cc1ncccc1CN[C@H]1CC(C)(C)Cc2occc21 ZINC000527986462 330298776 /nfs/dbraw/zinc/29/87/76/330298776.db2.gz MBPUNHKDKDUZLI-HNNXBMFYSA-N 0 1 270.376 3.786 20 0 CHADMN Cc1ncccc1CN[C@H](C)c1cnn(C2CCCC2)c1 ZINC000527988545 330299008 /nfs/dbraw/zinc/29/90/08/330299008.db2.gz TWPDOBWDISCVSA-CQSZACIVSA-N 0 1 284.407 3.552 20 0 CHADMN C[C@H](N[C@H](c1ccccn1)C1CCC1)c1ccncc1 ZINC000527963003 330300731 /nfs/dbraw/zinc/30/07/31/330300731.db2.gz FCLKLYIYJZUTRO-GUYCJALGSA-N 0 1 267.376 3.669 20 0 CHADMN CCO[C@H]1C[C@@H](N[C@@H](C)c2ncccc2F)C1(CC)CC ZINC000528036619 330302861 /nfs/dbraw/zinc/30/28/61/330302861.db2.gz VGHVZZIXQLDXSS-CFVMTHIKSA-N 0 1 294.414 3.855 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1ncccc1F ZINC000528038242 330303293 /nfs/dbraw/zinc/30/32/93/330303293.db2.gz RMWUOFLOBPDCQZ-YUTCNCBUSA-N 0 1 294.414 3.854 20 0 CHADMN Cc1noc(C)c1[C@H](C)CNCc1c(F)cc(C)cc1F ZINC000424155708 330303395 /nfs/dbraw/zinc/30/33/95/330303395.db2.gz LJJISYXDJSVUED-SNVBAGLBSA-N 0 1 294.345 3.771 20 0 CHADMN CSc1cc(C)ccc1CNCc1cncn1C(C)C ZINC000424160013 330306150 /nfs/dbraw/zinc/30/61/50/330306150.db2.gz WODBOQZKRVPFOC-UHFFFAOYSA-N 0 1 289.448 3.784 20 0 CHADMN Cc1cocc1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000528324290 330318791 /nfs/dbraw/zinc/31/87/91/330318791.db2.gz CNXPRIFLJJVQQX-UHFFFAOYSA-N 0 1 295.342 3.984 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cccnc1C(F)(F)F ZINC000528345850 330321187 /nfs/dbraw/zinc/32/11/87/330321187.db2.gz UPFGAXCFEIVLPT-GFCCVEGCSA-N 0 1 272.314 3.865 20 0 CHADMN C[C@@H]1CCC[C@@H](N(C)Cc2cc(C(C)(C)C)on2)C1 ZINC000580485172 330325540 /nfs/dbraw/zinc/32/55/40/330325540.db2.gz RWUIFWCOOMXLPV-TZMCWYRMSA-N 0 1 264.413 3.983 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)on1 ZINC000044299513 330327410 /nfs/dbraw/zinc/32/74/10/330327410.db2.gz UMTYSFGHEQUHMZ-OAHLLOKOSA-N 0 1 276.767 3.877 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc3ccccc32)on1 ZINC000044299415 330327412 /nfs/dbraw/zinc/32/74/12/330327412.db2.gz STVXUYBGKAZPLJ-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN CCOC[C@H](C)NCc1c(Cl)cccc1Cl ZINC000044689626 330332063 /nfs/dbraw/zinc/33/20/63/330332063.db2.gz WORONCFULZQWDV-VIFPVBQESA-N 0 1 262.180 3.508 20 0 CHADMN CCC(C)(C)c1ccc(CNCc2ccc(CO)o2)cc1 ZINC000533104130 330337185 /nfs/dbraw/zinc/33/71/85/330337185.db2.gz GRMMMNZOKJQNGH-UHFFFAOYSA-N 0 1 287.403 3.749 20 0 CHADMN O[C@@H]1CC[C@H]1N[C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000424309400 330338250 /nfs/dbraw/zinc/33/82/50/330338250.db2.gz APXHFMVUBFPWLS-HRDYMLBCSA-N 0 1 292.231 3.545 20 0 CHADMN CC(C)CCOCCN[C@@H](C)c1c(F)cccc1F ZINC000045093839 330338450 /nfs/dbraw/zinc/33/84/50/330338450.db2.gz HRIJFSAUSRWMFP-LBPRGKRZSA-N 0 1 271.351 3.678 20 0 CHADMN CC[C@@H](Cc1ccccc1C)c1nc(C2(N)CCCC2)no1 ZINC000424334787 330343062 /nfs/dbraw/zinc/34/30/62/330343062.db2.gz GEGSZBWSLIBZBW-AWEZNQCLSA-N 0 1 299.418 3.842 20 0 CHADMN Cc1ccc([C@H]2C[C@H]2c2nc(C3(N)CCCCC3)no2)cc1 ZINC000424348484 330345036 /nfs/dbraw/zinc/34/50/36/330345036.db2.gz OJEWOLOKACARKN-HUUCEWRRSA-N 0 1 297.402 3.767 20 0 CHADMN CCS[C@@H](c1nc(C2(N)CCCCC2)no1)C(C)C ZINC000424351835 330345557 /nfs/dbraw/zinc/34/55/57/330345557.db2.gz ZWDBZEKTMWFHEP-LLVKDONJSA-N 0 1 283.441 3.638 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(C3CCC3)cc2)[C@@H]1C(=O)[O-] ZINC000424414638 330350540 /nfs/dbraw/zinc/35/05/40/330350540.db2.gz RDMCXMQVBLQGEU-DYVFJYSZSA-N 0 1 287.403 3.639 20 0 CHADMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC000533203040 330353398 /nfs/dbraw/zinc/35/33/98/330353398.db2.gz GDLMPQWHZSPKQN-KRWDZBQOSA-N 0 1 287.403 3.641 20 0 CHADMN FC(F)(F)CCCCSc1nc(C2CC2)n[nH]1 ZINC000119072901 330369879 /nfs/dbraw/zinc/36/98/79/330369879.db2.gz UTUIPEFRZOPXTO-UHFFFAOYSA-N 0 1 265.304 3.507 20 0 CHADMN FC(F)(F)CCCCSc1n[nH]c(C2CC2)n1 ZINC000119072901 330369880 /nfs/dbraw/zinc/36/98/80/330369880.db2.gz UTUIPEFRZOPXTO-UHFFFAOYSA-N 0 1 265.304 3.507 20 0 CHADMN COc1ccc(CNCc2ccsc2)cc1Cl ZINC000086586057 330370497 /nfs/dbraw/zinc/37/04/97/330370497.db2.gz HUURQOPOTXXCDA-UHFFFAOYSA-N 0 1 267.781 3.700 20 0 CHADMN C[C@@H](NCc1cccnc1)c1ccc(Cl)c(F)c1 ZINC000213809403 330371825 /nfs/dbraw/zinc/37/18/25/330371825.db2.gz BYPNXBOQGCGSBD-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cnn(C)c1 ZINC000057860847 330379101 /nfs/dbraw/zinc/37/91/01/330379101.db2.gz ODIMFSSFZHCDFS-HNNXBMFYSA-N 0 1 277.799 3.657 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)N(C)Cc1cnn(C)c1 ZINC000057860847 330379102 /nfs/dbraw/zinc/37/91/02/330379102.db2.gz ODIMFSSFZHCDFS-HNNXBMFYSA-N 0 1 277.799 3.657 20 0 CHADMN C[C@H]1CCCC[C@H]1N(C)Cc1nc(C2CCCC2)no1 ZINC000119978366 330382739 /nfs/dbraw/zinc/38/27/39/330382739.db2.gz XSANKNCXGKIQFL-GXTWGEPZSA-N 0 1 277.412 3.738 20 0 CHADMN COc1cccc([C@H](C)N(C)Cc2cc(Cl)cn2C)c1 ZINC000120047712 330385301 /nfs/dbraw/zinc/38/53/01/330385301.db2.gz VIEMVGADNSMQRO-LBPRGKRZSA-N 0 1 292.810 3.880 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCC[C@@H]1C1CCCCC1 ZINC000120203019 330386192 /nfs/dbraw/zinc/38/61/92/330386192.db2.gz JQPLRJQDJCBOAD-CQSZACIVSA-N 0 1 291.366 3.716 20 0 CHADMN CC[C@H]1CCCN(CC(=O)Nc2ccccc2C(C)C)C1 ZINC000120699043 330391746 /nfs/dbraw/zinc/39/17/46/330391746.db2.gz JFDCXZLQTXZJGG-HNNXBMFYSA-N 0 1 288.435 3.871 20 0 CHADMN COc1cc(CN2CCC(OC(C)C)CC2)ccc1Cl ZINC000515206131 330473099 /nfs/dbraw/zinc/47/30/99/330473099.db2.gz AZWWXHUATODTAJ-UHFFFAOYSA-N 0 1 297.826 3.738 20 0 CHADMN CCCc1csc(CN[C@H]2CC23CCCC3)n1 ZINC000428549785 330527843 /nfs/dbraw/zinc/52/78/43/330527843.db2.gz HGCXXLSSDFVZCS-LBPRGKRZSA-N 0 1 250.411 3.518 20 0 CHADMN Cc1ccnc(NCCC2CC(OC(C)(C)C)C2)c1 ZINC000432879154 330609673 /nfs/dbraw/zinc/60/96/73/330609673.db2.gz OLQZTPPVXHVHGU-UHFFFAOYSA-N 0 1 262.397 3.786 20 0 CHADMN COc1cccc([C@H](C)NCc2ccc(-c3cc[nH]n3)o2)c1 ZINC000433315164 330625662 /nfs/dbraw/zinc/62/56/62/330625662.db2.gz DARCSQBFPKMQRJ-LBPRGKRZSA-N 0 1 297.358 3.529 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C(C)(C)CC(C)C)c1 ZINC000436658173 330682427 /nfs/dbraw/zinc/68/24/27/330682427.db2.gz NRLZSZZLOMCMBC-UHFFFAOYSA-N 0 1 291.391 3.996 20 0 CHADMN C[C@@H]1c2ccccc2CN1C(=O)c1ccc(O)c(Cl)c1 ZINC000436803812 330685466 /nfs/dbraw/zinc/68/54/66/330685466.db2.gz MQMHZVQNTJYNJG-SNVBAGLBSA-N 0 1 287.746 3.763 20 0 CHADMN CCc1cc2c([nH]c(-c3nc4ccccc4o3)nc2=O)s1 ZINC000439011566 330732389 /nfs/dbraw/zinc/73/23/89/330732389.db2.gz ZLZYHGAVHPXUMF-UHFFFAOYSA-N 0 1 297.339 3.768 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@@H](CO)c1ccsc1 ZINC000442866560 330788601 /nfs/dbraw/zinc/78/86/01/330788601.db2.gz WRHSHKHHOHDXCX-RISCZKNCSA-N 0 1 293.457 3.854 20 0 CHADMN C[C@@H](NCc1ccncc1OCC(F)F)c1ccsc1 ZINC000442867417 330788761 /nfs/dbraw/zinc/78/87/61/330788761.db2.gz OKCSCCNWSHBTSJ-SNVBAGLBSA-N 0 1 298.358 3.638 20 0 CHADMN FC(F)(F)c1ncc(CN[C@H]2CCc3ccccc32)s1 ZINC000443962580 330807998 /nfs/dbraw/zinc/80/79/98/330807998.db2.gz GLSPXQLNHOQDGL-LBPRGKRZSA-N 0 1 298.333 3.939 20 0 CHADMN CCO[C@H](CNCc1ncc(CC)s1)c1ccccc1 ZINC000446835812 330855920 /nfs/dbraw/zinc/85/59/20/330855920.db2.gz QQBJITLXBXWDCS-OAHLLOKOSA-N 0 1 290.432 3.573 20 0 CHADMN COC(=O)c1coc([C@@H](C)NCc2ccc(C)cc2C)c1 ZINC000447545145 330869419 /nfs/dbraw/zinc/86/94/19/330869419.db2.gz XMJUATKWJLQNPJ-CYBMUJFWSA-N 0 1 287.359 3.534 20 0 CHADMN Cc1cc(=O)[n-]c([C@@H](C)[NH+]2CCC3(CCCCC3)CC2)n1 ZINC000447856272 330878885 /nfs/dbraw/zinc/87/88/85/330878885.db2.gz ZKOLJNBOPMSLPB-CQSZACIVSA-N 0 1 289.423 3.598 20 0 CHADMN CO[C@@]1(C)C[C@@H](NCc2ncc(C(C)(C)C)s2)C1(C)C ZINC000447942909 330880795 /nfs/dbraw/zinc/88/07/95/330880795.db2.gz IZJSVPKTCUKDOZ-BZNIZROVSA-N 0 1 296.480 3.734 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccncc2F)cc1 ZINC000449062746 330896389 /nfs/dbraw/zinc/89/63/89/330896389.db2.gz KJDFEJGSNLOZKE-GFCCVEGCSA-N 0 1 258.340 3.634 20 0 CHADMN CC(C)c1ccc(OCCNCc2ccncc2F)cc1 ZINC000449085432 330898062 /nfs/dbraw/zinc/89/80/62/330898062.db2.gz NESLABSILDDDPV-UHFFFAOYSA-N 0 1 288.366 3.513 20 0 CHADMN C/C(=C/c1ccccc1OC(F)F)CN1CC2(CC2)C1 ZINC000449369335 330919272 /nfs/dbraw/zinc/91/92/72/330919272.db2.gz CDABOYOHWACBGR-WQLSENKSSA-N 0 1 279.330 3.787 20 0 CHADMN c1cc(Oc2ccccc2)oc1CNCC1=CCOCC1 ZINC000449402656 330922727 /nfs/dbraw/zinc/92/27/27/330922727.db2.gz MJJKXFTZNXMHMM-UHFFFAOYSA-N 0 1 285.343 3.508 20 0 CHADMN C[C@H](N[C@@H]1CC[C@H](c2ccccc2)C1)C(C)(F)F ZINC000449417811 330924137 /nfs/dbraw/zinc/92/41/37/330924137.db2.gz ZUOVJHWIXSJFFK-FPMFFAJLSA-N 0 1 253.336 3.956 20 0 CHADMN CCCc1ncc(CNC/C=C\c2ccc(F)c(F)c2)o1 ZINC000449610595 330939485 /nfs/dbraw/zinc/93/94/85/330939485.db2.gz HDEVDIKAKUURLW-HYXAFXHYSA-N 0 1 292.329 3.708 20 0 CHADMN Cc1ccoc1CN[C@@H]1CCCN(C)c2ccccc21 ZINC000449654048 330942102 /nfs/dbraw/zinc/94/21/02/330942102.db2.gz UWCRSBOMBRQBTP-OAHLLOKOSA-N 0 1 270.376 3.649 20 0 CHADMN FC(F)[C@@H](CCc1ccccc1)NCCC[C@H]1CCOC1 ZINC000449684875 330943584 /nfs/dbraw/zinc/94/35/84/330943584.db2.gz QMJPHBVQCWLRTH-JKSUJKDBSA-N 0 1 297.389 3.659 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000450440913 330979778 /nfs/dbraw/zinc/97/97/78/330979778.db2.gz PWDVTUKJWQYNOS-UHIISALHSA-N 0 1 289.375 3.606 20 0 CHADMN CCSc1ccc([C@H](C)NCc2cccnc2N)cc1 ZINC000450671175 330992436 /nfs/dbraw/zinc/99/24/36/330992436.db2.gz YGTABOLJSBXNQN-LBPRGKRZSA-N 0 1 287.432 3.627 20 0 CHADMN CC(C)c1nnc(CN(C)[C@H]2CCCC[C@@H]2C)s1 ZINC000450813861 331000743 /nfs/dbraw/zinc/00/07/43/331000743.db2.gz WYXYITCKPMXUOE-RYUDHWBXSA-N 0 1 267.442 3.672 20 0 CHADMN COC[C@H]1CCCN(c2ccnc3cc(F)ccc32)CC1 ZINC000450949748 331008453 /nfs/dbraw/zinc/00/84/53/331008453.db2.gz TXAONLVCOLWMAL-ZDUSSCGKSA-N 0 1 288.366 3.627 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@@H](c2ccncc2)C1 ZINC000451006261 331011566 /nfs/dbraw/zinc/01/15/66/331011566.db2.gz RBRXPJSQFDSOQI-CQSZACIVSA-N 0 1 288.341 3.739 20 0 CHADMN CC[C@@H](F)CN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451020450 331012213 /nfs/dbraw/zinc/01/22/13/331012213.db2.gz ZXAZSNWKMYOZIE-DOMZBBRYSA-N 0 1 275.371 3.756 20 0 CHADMN Cc1ccc2c(CN3CCC[C@@](C)(F)C3)ccc(O)c2n1 ZINC000451116804 331016177 /nfs/dbraw/zinc/01/61/77/331016177.db2.gz SLKUOMWPTBZMAB-QGZVFWFLSA-N 0 1 288.366 3.573 20 0 CHADMN CC[C@H](CC(C)C)C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000451161064 331018062 /nfs/dbraw/zinc/01/80/62/331018062.db2.gz JHZWKKVIHDLLNT-YNEHKIRRSA-N 0 1 294.443 3.568 20 0 CHADMN C[C@H](c1ccc(OC(F)(F)F)cc1)N1CC[C@@H](F)C1 ZINC000451195498 331019949 /nfs/dbraw/zinc/01/99/49/331019949.db2.gz XRCLYBQKDLNEEN-MWLCHTKSSA-N 0 1 277.261 3.690 20 0 CHADMN CC(C)C[C@@]1(C)CCCN1Cc1nnc(C2CC2)s1 ZINC000451287576 331023313 /nfs/dbraw/zinc/02/33/13/331023313.db2.gz GPYXXGQNMYCRJJ-OAHLLOKOSA-N 0 1 279.453 3.816 20 0 CHADMN CS[C@@H]1CCN(Cc2nc(-c3ccsc3)oc2C)C1 ZINC000451320001 331024255 /nfs/dbraw/zinc/02/42/55/331024255.db2.gz JTDNYYNGWHHCTN-GFCCVEGCSA-N 0 1 294.445 3.649 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC(CF)CC1 ZINC000451388556 331026863 /nfs/dbraw/zinc/02/68/63/331026863.db2.gz LHKSJKPJLZODTB-SNVBAGLBSA-N 0 1 257.299 3.707 20 0 CHADMN CCO[C@H]1CCN(Cc2ccc(Cl)c(OC)c2)C[C@@H]1C ZINC000451523124 331032502 /nfs/dbraw/zinc/03/25/02/331032502.db2.gz CKENMJCGOWRMKT-WFASDCNBSA-N 0 1 297.826 3.596 20 0 CHADMN CCO[C@H]1CCN(Cc2cc(F)ccc2Cl)C[C@@H]1C ZINC000451538439 331033146 /nfs/dbraw/zinc/03/31/46/331033146.db2.gz JINIJKPLASRKGL-NHYWBVRUSA-N 0 1 285.790 3.726 20 0 CHADMN CCCCN(Cc1cc(C)on1)[C@@H]1CCCC[C@H]1OC ZINC000451653123 331037937 /nfs/dbraw/zinc/03/79/37/331037937.db2.gz RDLIIKHTDPOMQW-HZPDHXFCSA-N 0 1 280.412 3.543 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CC[C@@H](O)CC(C)(C)C1 ZINC000451804145 331042909 /nfs/dbraw/zinc/04/29/09/331042909.db2.gz RRWCEXHGNRAHJE-WCQYABFASA-N 0 1 283.362 3.509 20 0 CHADMN Cc1ncsc1CCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451837510 331044163 /nfs/dbraw/zinc/04/41/63/331044163.db2.gz MAFCMUPHXOJTPZ-HNNXBMFYSA-N 0 1 288.416 3.814 20 0 CHADMN CC(C)SCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451842535 331044451 /nfs/dbraw/zinc/04/44/51/331044451.db2.gz FOXFYPJLWHZUEY-CQSZACIVSA-N 0 1 265.422 3.948 20 0 CHADMN CCOCCCN1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451877567 331045929 /nfs/dbraw/zinc/04/59/29/331045929.db2.gz JLTCYSSZRDJWHC-INIZCTEOSA-N 0 1 287.407 3.517 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC[C@@]2(CCOC2)C1 ZINC000451903077 331046759 /nfs/dbraw/zinc/04/67/59/331046759.db2.gz PBIMFQSOMORXAM-MLGOLLRUSA-N 0 1 281.346 3.528 20 0 CHADMN C[C@@H]1CC[C@H](CN2CCC[C@H]2c2ccc(F)cc2F)O1 ZINC000451968782 331048965 /nfs/dbraw/zinc/04/89/65/331048965.db2.gz JKTHCEGZWNJCGJ-KFNAQCHYSA-N 0 1 281.346 3.669 20 0 CHADMN Cc1oncc1CN1CCC[C@@H]1c1ccc(F)cc1C ZINC000451990085 331049485 /nfs/dbraw/zinc/04/94/85/331049485.db2.gz LOWWKFFXXOFGDH-MRXNPFEDSA-N 0 1 274.339 3.768 20 0 CHADMN C[C@H](NCc1ncc(C2CC2)o1)[C@@H]1CCC[C@@H](C)C1 ZINC000452063124 331052624 /nfs/dbraw/zinc/05/26/24/331052624.db2.gz VNUQHMHLRFRQMD-MBNYWOFBSA-N 0 1 262.397 3.856 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@]2(C)CCC[C@H]2C)c1 ZINC000452194311 331057922 /nfs/dbraw/zinc/05/79/22/331057922.db2.gz LFZDRPSAXLIKJE-PIGZYNQJSA-N 0 1 289.375 3.750 20 0 CHADMN CC(C)C[C@]1(C)CCCN1C(=O)c1c(O)cccc1F ZINC000452513805 331067097 /nfs/dbraw/zinc/06/70/97/331067097.db2.gz RMCYQSRMGFIPFQ-INIZCTEOSA-N 0 1 279.355 3.572 20 0 CHADMN CC(C)Cn1ccnc1NCc1cccc2ccoc21 ZINC000453045326 331084697 /nfs/dbraw/zinc/08/46/97/331084697.db2.gz AWVHDQHJVUXDAV-UHFFFAOYSA-N 0 1 269.348 3.897 20 0 CHADMN CC[C@H](NCc1ccc(OC(C)C)nc1)c1ccncc1 ZINC000453073126 331086629 /nfs/dbraw/zinc/08/66/29/331086629.db2.gz ZLOHCPVTFJMANO-INIZCTEOSA-N 0 1 285.391 3.505 20 0 CHADMN CCOc1ncccc1CN[C@H](C)c1csc(C)c1 ZINC000453081790 331087411 /nfs/dbraw/zinc/08/74/11/331087411.db2.gz MCXGFQXIGFSFMR-GFCCVEGCSA-N 0 1 276.405 3.701 20 0 CHADMN Cc1cccc(C)c1OCCCN[C@H]1C[C@@H](C)n2ccnc21 ZINC000453082973 331087562 /nfs/dbraw/zinc/08/75/62/331087562.db2.gz JDJPLBZUWNWPQQ-CVEARBPZSA-N 0 1 299.418 3.564 20 0 CHADMN CC(C)C[C@@H]1C[C@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000453124116 331091693 /nfs/dbraw/zinc/09/16/93/331091693.db2.gz SVUWRAXHHLXPJW-VXGBXAGGSA-N 0 1 282.347 3.763 20 0 CHADMN CC(C)CCCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000453125482 331091848 /nfs/dbraw/zinc/09/18/48/331091848.db2.gz VYSLDDKFGHEKBL-UHFFFAOYSA-N 0 1 270.336 3.592 20 0 CHADMN CO[C@@H]1C[C@H](N[C@H](C)c2csc(C(C)C)n2)C12CCC2 ZINC000453138215 331093194 /nfs/dbraw/zinc/09/31/94/331093194.db2.gz HEGWJLNHEHVMIS-KWCYVHTRSA-N 0 1 294.464 3.875 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1cccc(F)c1)c1ccsc1 ZINC000453144312 331093868 /nfs/dbraw/zinc/09/38/68/331093868.db2.gz MDDJBUUYWMHAGE-CABCVRRESA-N 0 1 279.380 3.662 20 0 CHADMN CC(C)COc1ccc([C@@H](C)N[C@@H](C)c2ccncn2)cc1 ZINC000453150430 331094574 /nfs/dbraw/zinc/09/45/74/331094574.db2.gz XWMATWZIZIAEMO-CABCVRRESA-N 0 1 299.418 3.923 20 0 CHADMN C[C@@H](NCc1ccc(OC2CCCC2)cc1)c1ccncn1 ZINC000453164109 331096048 /nfs/dbraw/zinc/09/60/48/331096048.db2.gz TWTNBAKJDBBNFP-CQSZACIVSA-N 0 1 297.402 3.649 20 0 CHADMN Cc1c(C)c(C)c(CN[C@H](C)c2ccncn2)c(C)c1C ZINC000453170804 331096752 /nfs/dbraw/zinc/09/67/52/331096752.db2.gz LVOFYYZBELTWHN-MRXNPFEDSA-N 0 1 283.419 3.870 20 0 CHADMN C[C@@H]1CCCc2ccccc2[C@H]1N[C@H]1CCn2ccnc21 ZINC000453195553 331100026 /nfs/dbraw/zinc/10/00/26/331100026.db2.gz KTGJPSAINLQDSB-COXVUDFISA-N 0 1 281.403 3.631 20 0 CHADMN C[C@@H]1CC[C@H](NCc2nnc3ccccn32)c2sccc21 ZINC000453196298 331100115 /nfs/dbraw/zinc/10/01/15/331100115.db2.gz LGKQBKZWIUADGT-YPMHNXCESA-N 0 1 298.415 3.519 20 0 CHADMN CC[C@H](N[C@@H]1c2ccc(F)cc2O[C@@H]1C)c1ccncc1 ZINC000453215384 331102420 /nfs/dbraw/zinc/10/24/20/331102420.db2.gz FQABMTDHQYKZMO-PJQXDXOGSA-N 0 1 286.350 3.784 20 0 CHADMN CC[C@H](N[C@@H](C)[C@@H]1C[C@H]1c1ccccc1)C(F)F ZINC000453254147 331107999 /nfs/dbraw/zinc/10/79/99/331107999.db2.gz XTWZHYFSCKYLSW-PYJNHQTQSA-N 0 1 253.336 3.812 20 0 CHADMN CC[C@H](N[C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1)C(F)F ZINC000453253341 331108021 /nfs/dbraw/zinc/10/80/21/331108021.db2.gz WVXZZKHKVHTAAH-QOWREQOWSA-N 0 1 283.362 3.821 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc3cc[nH]c3n2)cs1 ZINC000453255284 331108160 /nfs/dbraw/zinc/10/81/60/331108160.db2.gz PSOFORKTSWPOFC-LLVKDONJSA-N 0 1 271.389 3.784 20 0 CHADMN COc1ccc([C@H]2C[C@@H]2[C@@H](C)N[C@H](C)C(C)(F)F)cc1 ZINC000453278452 331110367 /nfs/dbraw/zinc/11/03/67/331110367.db2.gz FDUJBKYSYWXUCA-YIKOMLBNSA-N 0 1 283.362 3.821 20 0 CHADMN CCn1ccnc1CN[C@@H]1CC[C@@H](C)c2ccsc21 ZINC000453304416 331113756 /nfs/dbraw/zinc/11/37/56/331113756.db2.gz BDEHPAVKJUAFAR-DGCLKSJQSA-N 0 1 275.421 3.693 20 0 CHADMN COc1ccc(Cl)cc1[C@H](C)NCc1cnccc1C ZINC000453330784 331117692 /nfs/dbraw/zinc/11/76/92/331117692.db2.gz SPFNOPLIFZUHNM-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CC(C)c1nc([C@@H](C)NCC(C)(C)C(C)(C)O)cs1 ZINC000453345533 331119772 /nfs/dbraw/zinc/11/97/72/331119772.db2.gz FFPWPCWCWVNRCJ-LLVKDONJSA-N 0 1 284.469 3.714 20 0 CHADMN C[C@@H](c1cc(F)c(F)c(F)c1)N1CCC[C@]2(CCOC2)C1 ZINC000453371025 331124028 /nfs/dbraw/zinc/12/40/28/331124028.db2.gz NPQBSMMYIKWFEH-ZBEGNZNMSA-N 0 1 299.336 3.667 20 0 CHADMN C[C@@H](NCc1cnc(C2CC2)o1)c1cc2c(s1)CCC2 ZINC000453379528 331125594 /nfs/dbraw/zinc/12/55/94/331125594.db2.gz YSKVXXZKVHPRAX-SNVBAGLBSA-N 0 1 288.416 3.953 20 0 CHADMN C[C@H](NCCOCC1CCCC1)c1ccc(Cl)cn1 ZINC000453396048 331127906 /nfs/dbraw/zinc/12/79/06/331127906.db2.gz KMRIYPMOOQMUOA-LBPRGKRZSA-N 0 1 282.815 3.592 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1c(O)cccc1F ZINC000163838514 331133698 /nfs/dbraw/zinc/13/36/98/331133698.db2.gz HLDZGIJJIBGDQR-JTQLQIEISA-N 0 1 291.297 3.504 20 0 CHADMN Cc1cc(Br)c(CN2CC[C@H]2C2CC2)s1 ZINC000453568565 331134434 /nfs/dbraw/zinc/13/44/34/331134434.db2.gz AESAGIQPFOPCBI-NSHDSACASA-N 0 1 286.238 3.803 20 0 CHADMN [O-]c1cccc(C[NH2+]CCC2CC(F)(F)C2)c1Cl ZINC000453583701 331134945 /nfs/dbraw/zinc/13/49/45/331134945.db2.gz PFUQFCXWELTAKU-UHFFFAOYSA-N 0 1 275.726 3.571 20 0 CHADMN OCC1([C@@H](NCc2ccco2)c2ccccc2)CCCC1 ZINC000453596439 331135466 /nfs/dbraw/zinc/13/54/66/331135466.db2.gz ARXUZQUDADGZOD-KRWDZBQOSA-N 0 1 285.387 3.663 20 0 CHADMN CCc1nc(CN[C@@H]2C[C@@]2(CC)C(C)C)cs1 ZINC000453603868 331136049 /nfs/dbraw/zinc/13/60/49/331136049.db2.gz BCDADKRISJRKHB-OCCSQVGLSA-N 0 1 252.427 3.620 20 0 CHADMN CC(C)CN(Cc1cnn(C)c1)Cc1ccc(Cl)s1 ZINC000453617865 331136790 /nfs/dbraw/zinc/13/67/90/331136790.db2.gz JFMASWVJAWAAKP-UHFFFAOYSA-N 0 1 297.855 3.793 20 0 CHADMN CC[C@]1(C(C)C)C[C@@H]1NCc1nccn1Cc1ccccc1 ZINC000453621832 331136902 /nfs/dbraw/zinc/13/69/02/331136902.db2.gz YKUFHLIAHLIISK-PKOBYXMFSA-N 0 1 297.446 3.846 20 0 CHADMN CCOC[C@H]1CCC[C@@H]1Nc1ccc2cnccc2c1 ZINC000453623256 331136966 /nfs/dbraw/zinc/13/69/66/331136966.db2.gz WQDIBMBJSRRMOL-WBVHZDCISA-N 0 1 270.376 3.852 20 0 CHADMN COCC1CCC(Nc2ccc3cnccc3c2)CC1 ZINC000453622186 331137044 /nfs/dbraw/zinc/13/70/44/331137044.db2.gz USDWMTUKZXSZEX-UHFFFAOYSA-N 0 1 270.376 3.852 20 0 CHADMN CC(C)CC(C)(C)C(=O)Nc1ccc(F)c(F)c1O ZINC000457300178 331218460 /nfs/dbraw/zinc/21/84/60/331218460.db2.gz UNHLRNNYVJVERV-UHFFFAOYSA-N 0 1 271.307 3.681 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C1CC(C(C)(C)C)C1 ZINC000457706598 331231878 /nfs/dbraw/zinc/23/18/78/331231878.db2.gz JOMVZQUSUAEPOK-UHFFFAOYSA-N 0 1 285.338 3.667 20 0 CHADMN O=C(c1cnc[nH]1)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000458126075 331243416 /nfs/dbraw/zinc/24/34/16/331243416.db2.gz LUDMIWLGFONCDV-MRXNPFEDSA-N 0 1 295.386 3.557 20 0 CHADMN Cc1ccc([C@@H](C)[N@@H+](C)Cc2cnc(C3CC3)nc2)cc1 ZINC000459298666 331275124 /nfs/dbraw/zinc/27/51/24/331275124.db2.gz JYXHCPLSZNRXBU-CQSZACIVSA-N 0 1 281.403 3.855 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cnc(C3CC3)nc2)cc1 ZINC000459298666 331275125 /nfs/dbraw/zinc/27/51/25/331275125.db2.gz JYXHCPLSZNRXBU-CQSZACIVSA-N 0 1 281.403 3.855 20 0 CHADMN C[C@@H]1c2cccn2CC[N@@H+]1CC1CCC(F)(F)CC1 ZINC000459297754 331275139 /nfs/dbraw/zinc/27/51/39/331275139.db2.gz RVRJKPFMPRSZGD-GFCCVEGCSA-N 0 1 268.351 3.690 20 0 CHADMN C[C@@H]1c2cccn2CCN1CC1CCC(F)(F)CC1 ZINC000459297754 331275140 /nfs/dbraw/zinc/27/51/40/331275140.db2.gz RVRJKPFMPRSZGD-GFCCVEGCSA-N 0 1 268.351 3.690 20 0 CHADMN c1ccc(CN(Cc2cnc(C3CC3)nc2)C2CC2)cc1 ZINC000459321220 331276011 /nfs/dbraw/zinc/27/60/11/331276011.db2.gz ZJCOOFZVSGIGFN-UHFFFAOYSA-N 0 1 279.387 3.519 20 0 CHADMN CCOc1cccc([C@H](C)NCc2cnc(C3CC3)nc2)c1 ZINC000459392394 331279771 /nfs/dbraw/zinc/27/97/71/331279771.db2.gz TYRLJJRJFUBSGC-ZDUSSCGKSA-N 0 1 297.402 3.604 20 0 CHADMN Cc1nc(C(C)(C)NCCOCC2CCCC2)sc1C ZINC000459397729 331279999 /nfs/dbraw/zinc/27/99/99/331279999.db2.gz YFBJRIDSLKBIOR-UHFFFAOYSA-N 0 1 296.480 3.791 20 0 CHADMN Cc1cccnc1[C@H](NCc1cnc(C2CC2)nc1)C(C)C ZINC000459421309 331280685 /nfs/dbraw/zinc/28/06/85/331280685.db2.gz YQYWVJOAXSTCHD-MRXNPFEDSA-N 0 1 296.418 3.544 20 0 CHADMN C[C@H](c1ccc2c(c1)CCC2)N1CCc2ncsc2C1 ZINC000459441653 331281535 /nfs/dbraw/zinc/28/15/35/331281535.db2.gz IBRCJMDKADNZBM-GFCCVEGCSA-N 0 1 284.428 3.751 20 0 CHADMN Cc1nc(CCNCc2c(F)cc(C)cc2Cl)c(C)o1 ZINC000459455625 331282162 /nfs/dbraw/zinc/28/21/62/331282162.db2.gz ORALZBIYYLXSCW-UHFFFAOYSA-N 0 1 296.773 3.725 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1ccc(C2CC2)cc1 ZINC000459517933 331285780 /nfs/dbraw/zinc/28/57/80/331285780.db2.gz VZINLXWFLUGJNY-CYBMUJFWSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1cc(CN[C@H]2CC[C@H](c3ccccc3F)C2)no1 ZINC000459524337 331285971 /nfs/dbraw/zinc/28/59/71/331285971.db2.gz ZNHORLVLCRKHIH-STQMWFEESA-N 0 1 274.339 3.548 20 0 CHADMN Cc1cc(F)c(CNC2CC(C)(F)C2)c(Cl)c1 ZINC000459559275 331287875 /nfs/dbraw/zinc/28/78/75/331287875.db2.gz BFXHEEDIIQZUJC-UHFFFAOYSA-N 0 1 259.727 3.768 20 0 CHADMN Fc1cccc2c1CCC[C@H]2NCc1cnc(C2CC2)nc1 ZINC000459563865 331288050 /nfs/dbraw/zinc/28/80/50/331288050.db2.gz HHDRJRHZZCUHIX-QGZVFWFLSA-N 0 1 297.377 3.660 20 0 CHADMN CO[C@H]1CCN(Cc2c(F)cc(C)cc2Cl)C[C@@H]1C ZINC000459587644 331289463 /nfs/dbraw/zinc/28/94/63/331289463.db2.gz WTLXVRVSNVWHIH-NHYWBVRUSA-N 0 1 285.790 3.644 20 0 CHADMN c1nc(-c2ccccn2)sc1CN1CC(C2CCCC2)C1 ZINC000459616928 331290677 /nfs/dbraw/zinc/29/06/77/331290677.db2.gz QUUDTMKRLHAQPK-UHFFFAOYSA-N 0 1 299.443 3.827 20 0 CHADMN Cc1ccncc1CCCN1CC(C)(CC(F)(F)F)C1 ZINC000459632065 331291195 /nfs/dbraw/zinc/29/11/95/331291195.db2.gz DEQURDAEQPNNIH-UHFFFAOYSA-N 0 1 286.341 3.597 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2csc(Cl)c2Cl)C1 ZINC000459637342 331291568 /nfs/dbraw/zinc/29/15/68/331291568.db2.gz SDWUXXMYPMANIK-DTORHVGOSA-N 0 1 280.220 3.712 20 0 CHADMN COCCC1(C)CN(Cc2cc3cc(C)c(C)cc3o2)C1 ZINC000459636000 331291615 /nfs/dbraw/zinc/29/16/15/331291615.db2.gz VIFKOLNGFHCYKR-UHFFFAOYSA-N 0 1 287.403 3.908 20 0 CHADMN COCCC1(C)CN(Cc2ccc(Cl)c(C)c2)C1 ZINC000459639417 331291645 /nfs/dbraw/zinc/29/16/45/331291645.db2.gz VNRQFAXRSSGQRH-UHFFFAOYSA-N 0 1 267.800 3.507 20 0 CHADMN Cc1ccccc1CN1CC(C)(CC(F)(F)F)C1 ZINC000459639489 331291679 /nfs/dbraw/zinc/29/16/79/331291679.db2.gz OEUPVDDDRGRDHC-UHFFFAOYSA-N 0 1 257.299 3.769 20 0 CHADMN CC(C)(C)C1CN(Cc2coc(-c3ccccc3)n2)C1 ZINC000459647291 331292102 /nfs/dbraw/zinc/29/21/02/331292102.db2.gz UAFOVVHMIVFPEG-UHFFFAOYSA-N 0 1 270.376 3.820 20 0 CHADMN CC(C)C[C@@H]1C[C@H]1NCc1ncc(C(C)C)s1 ZINC000459660938 331292770 /nfs/dbraw/zinc/29/27/70/331292770.db2.gz VVEXDFQAMALYKB-VXGBXAGGSA-N 0 1 252.427 3.791 20 0 CHADMN CCOC[C@@H]1CCCCN1Cc1cnc(C(C)(C)C)s1 ZINC000459667361 331293146 /nfs/dbraw/zinc/29/31/46/331293146.db2.gz AKHNABHIYQKESY-ZDUSSCGKSA-N 0 1 296.480 3.832 20 0 CHADMN CC(C)c1nnc(CN(C)[C@@H]2CCC[C@@H]2c2ccccc2)[nH]1 ZINC000459686896 331294415 /nfs/dbraw/zinc/29/44/15/331294415.db2.gz DVGVCAPGCBIWGS-HZPDHXFCSA-N 0 1 298.434 3.696 20 0 CHADMN CC(C)[C@@H]1N(Cc2cn3cccnc3n2)CC12CCCCC2 ZINC000459793936 331301413 /nfs/dbraw/zinc/30/14/13/331301413.db2.gz UEBAYKQAQXPPER-INIZCTEOSA-N 0 1 298.434 3.520 20 0 CHADMN CS[C@H](C)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000166172853 331306605 /nfs/dbraw/zinc/30/66/05/331306605.db2.gz YIHMEFLLDXWDIC-CJNGLKHVSA-N 0 1 272.417 3.512 20 0 CHADMN CSC[C@@H](C)N[C@H](c1ccccc1)c1ccccn1 ZINC000166084196 331306645 /nfs/dbraw/zinc/30/66/45/331306645.db2.gz ISUHDQIIERPDQC-CZUORRHYSA-N 0 1 272.417 3.512 20 0 CHADMN COc1ccc(CN2CC(c3ccccc3F)C2)cc1C ZINC000462823936 331331283 /nfs/dbraw/zinc/33/12/83/331331283.db2.gz BPYQRLNXQCDCDI-UHFFFAOYSA-N 0 1 285.362 3.742 20 0 CHADMN CCCCOc1ccc(C[N@@H+](C(C)C)[C@H]2CCOC2)cc1 ZINC000462879528 331333785 /nfs/dbraw/zinc/33/37/85/331333785.db2.gz XVCBLGFRPCXESO-KRWDZBQOSA-N 0 1 291.435 3.865 20 0 CHADMN CCC[C@@H](C(=O)Nc1cc(C(=O)CC)ccc1O)C(C)C ZINC000462920254 331335198 /nfs/dbraw/zinc/33/51/98/331335198.db2.gz XGZFCIDFZIXRJN-CYBMUJFWSA-N 0 1 291.391 3.996 20 0 CHADMN CCC(C)(C)CCSc1nc(-c2cccnc2)n[nH]1 ZINC000463250441 331344263 /nfs/dbraw/zinc/34/42/63/331344263.db2.gz NWUVFHQAOBOJET-UHFFFAOYSA-N 0 1 276.409 3.785 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)CC3CCC3)cc2[nH]1 ZINC000463363256 331346624 /nfs/dbraw/zinc/34/66/24/331346624.db2.gz ZJBWVLJHXMZTKA-UHFFFAOYSA-N 0 1 285.391 3.989 20 0 CHADMN CCN(Cc1nc(-c2ccccc2F)no1)CC(C)(C)C ZINC000463365062 331346683 /nfs/dbraw/zinc/34/66/83/331346683.db2.gz GMDNJTIGFNGZDX-UHFFFAOYSA-N 0 1 291.370 3.744 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1nnc(-c2ccccc2)s1 ZINC000464504072 331361713 /nfs/dbraw/zinc/36/17/13/331361713.db2.gz ZKFYBWKCMFLGDS-JSGCOSHPSA-N 0 1 287.432 3.968 20 0 CHADMN CC[C@]1(C)CCCN(CC(=O)Nc2cc(C)ccc2C)C1 ZINC000464777732 331367647 /nfs/dbraw/zinc/36/76/47/331367647.db2.gz PBQGLTJBKZUKNA-GOSISDBHSA-N 0 1 288.435 3.754 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC(C)(C)C1 ZINC000464802999 331369248 /nfs/dbraw/zinc/36/92/48/331369248.db2.gz VFUAKUDCEBZVGH-LBPRGKRZSA-N 0 1 294.826 3.707 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1C[C@H](C)CC[C@H]1C ZINC000464817416 331369542 /nfs/dbraw/zinc/36/95/42/331369542.db2.gz ZIFIICSHEAYKLK-VXGBXAGGSA-N 0 1 294.826 3.707 20 0 CHADMN CCC[C@@]1(C)CCCN(CC(=O)Nc2ccccc2)C1 ZINC000464831420 331370106 /nfs/dbraw/zinc/37/01/06/331370106.db2.gz ABGMTRDUXCCJHN-KRWDZBQOSA-N 0 1 274.408 3.527 20 0 CHADMN CO[C@]1(C)C[C@H](NCc2c(F)cccc2Cl)C1(C)C ZINC000465009255 331375723 /nfs/dbraw/zinc/37/57/23/331375723.db2.gz COLXSAZDMRGKBJ-DZGCQCFKSA-N 0 1 285.790 3.772 20 0 CHADMN CC/C=C\CCN1CCO[C@]2(CCc3ccccc32)C1 ZINC000466215415 331391015 /nfs/dbraw/zinc/39/10/15/331391015.db2.gz DLTIJHDFGGKYDI-DDKKJVIOSA-N 0 1 271.404 3.517 20 0 CHADMN Cc1cc(C)c(CN[C@H]2COc3ccc(F)cc32)cc1C ZINC000466457615 331397597 /nfs/dbraw/zinc/39/75/97/331397597.db2.gz VMTKDOXEXIBNGV-KRWDZBQOSA-N 0 1 285.362 3.974 20 0 CHADMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccccc1C(C)(C)C ZINC000466676135 331402229 /nfs/dbraw/zinc/40/22/29/331402229.db2.gz KOSVTFWAJRCDNJ-KBPBESRZSA-N 0 1 288.435 3.795 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@@H]1COc2ccc(F)cc21 ZINC000468033131 331427176 /nfs/dbraw/zinc/42/71/76/331427176.db2.gz GTGGCEZECPRHFM-JKSUJKDBSA-N 0 1 299.345 3.545 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H]2COc3ccc(F)cc32)cc1 ZINC000468052380 331427792 /nfs/dbraw/zinc/42/77/92/331427792.db2.gz YHNULJQNAKMLLW-BDJLRTHQSA-N 0 1 287.334 3.619 20 0 CHADMN OCC[C@@H](NC/C=C\c1ccc(Cl)cc1)c1ccco1 ZINC000469551685 331453997 /nfs/dbraw/zinc/45/39/97/331453997.db2.gz JWDATJTUKKFRTQ-PEXHTFQZSA-N 0 1 291.778 3.660 20 0 CHADMN OC[C@@H](NC/C=C/c1ccc(Cl)cc1)c1ccsc1 ZINC000469794811 331459874 /nfs/dbraw/zinc/45/98/74/331459874.db2.gz VVUGFSHFEFVLOI-BGTMTDRBSA-N 0 1 293.819 3.738 20 0 CHADMN CC(C)(CF)NCc1cnc(-c2ccccc2)s1 ZINC000472144863 331530212 /nfs/dbraw/zinc/53/02/12/331530212.db2.gz XTJBNGGVHFKRGD-UHFFFAOYSA-N 0 1 264.369 3.648 20 0 CHADMN [O-]c1ccc(F)c(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)c1F ZINC000511124640 332927348 /nfs/dbraw/zinc/92/73/48/332927348.db2.gz LLHYZURYTICHED-IJLUTSLNSA-N 0 1 281.346 3.729 20 0 CHADMN CCCc1cccc(CN[C@@H](CO)c2ccc(F)cc2)c1 ZINC000479389065 331726588 /nfs/dbraw/zinc/72/65/88/331726588.db2.gz UWLYNSKDNCXISW-SFHVURJKSA-N 0 1 287.378 3.601 20 0 CHADMN CC1(C)CCCC[C@H]1NCc1noc(-c2ccccc2)n1 ZINC000481175955 331799946 /nfs/dbraw/zinc/79/99/46/331799946.db2.gz QNVNJVDTAKIMDC-CQSZACIVSA-N 0 1 285.391 3.795 20 0 CHADMN CCCCc1noc([C@H](C)N[C@@H]2CC[C@@H](C)C[C@@H]2C)n1 ZINC000481183965 331800533 /nfs/dbraw/zinc/80/05/33/331800533.db2.gz SUKPGWDIQJXIPQ-ZOBORPQBSA-N 0 1 279.428 3.888 20 0 CHADMN C[C@H](Cc1ccccc1C(F)(F)F)N[C@H](C)c1ccon1 ZINC000481997392 331821049 /nfs/dbraw/zinc/82/10/49/331821049.db2.gz DXGGVHULCUVSBS-GHMZBOCLSA-N 0 1 298.308 3.975 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN[C@H](C)c1nc(C)no1 ZINC000482457108 331833582 /nfs/dbraw/zinc/83/35/82/331833582.db2.gz JJKMHCAWDSBEBY-CHWSQXEVSA-N 0 1 265.401 3.801 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2CC[C@@H](C)[C@@H](C)C2)no1 ZINC000483306320 331868388 /nfs/dbraw/zinc/86/83/88/331868388.db2.gz HLUBEBFNMPWNDD-VHDGCEQUSA-N 0 1 299.418 3.959 20 0 CHADMN Cc1cc(N(C)CC(C)(C)O)c2cc(Cl)cc(C)c2n1 ZINC000485012107 331908410 /nfs/dbraw/zinc/90/84/10/331908410.db2.gz DRJXBTWVFNDXMT-UHFFFAOYSA-N 0 1 292.810 3.712 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(Cl)cc2)C(C)C)nn1C ZINC000487387652 331968382 /nfs/dbraw/zinc/96/83/82/331968382.db2.gz GXXCMNPPHCMRTI-INIZCTEOSA-N 0 1 291.826 3.869 20 0 CHADMN C[C@@H](NC[C@@H]1CCC(C)(C)O1)c1c(F)cccc1F ZINC000488147847 331992081 /nfs/dbraw/zinc/99/20/81/331992081.db2.gz JFHLGNKQQWVWKW-MNOVXSKESA-N 0 1 269.335 3.573 20 0 CHADMN CCc1nc(CN[C@@H]2CS[C@H](C(C)(C)C)C2)cs1 ZINC000488410034 332004983 /nfs/dbraw/zinc/00/49/83/332004983.db2.gz HQCVMYQKFRGRBE-JQWIXIFHSA-N 0 1 284.494 3.715 20 0 CHADMN CC(C)c1nnc(CN[C@@H]2CS[C@H](C(C)(C)C)C2)s1 ZINC000488446415 332009689 /nfs/dbraw/zinc/00/96/89/332009689.db2.gz KGZGDSZYRKNSJG-QWRGUYRKSA-N 0 1 299.509 3.671 20 0 CHADMN Cc1ccccc1[C@H](C(C)C)N(C)CC(=O)c1cccn1C ZINC000488721723 332022522 /nfs/dbraw/zinc/02/25/22/332022522.db2.gz DVQXZYSLRUXSDD-IBGZPJMESA-N 0 1 298.430 3.845 20 0 CHADMN CCCN(CC)[C@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000488724471 332022817 /nfs/dbraw/zinc/02/28/17/332022817.db2.gz KCZFSYPDVDCVKS-GFCCVEGCSA-N 0 1 291.370 3.592 20 0 CHADMN CC[C@H](O)CNc1c(C)c(C)nc2c(Cl)cccc21 ZINC000488777113 332025187 /nfs/dbraw/zinc/02/51/87/332025187.db2.gz PUXBCRPSVWOYMQ-NSHDSACASA-N 0 1 278.783 3.688 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H](c2cccc(C)c2)C(C)(C)C)c1C ZINC000488819425 332027295 /nfs/dbraw/zinc/02/72/95/332027295.db2.gz SKPHDCUNARCRLU-INIZCTEOSA-N 0 1 299.418 3.852 20 0 CHADMN CSC[C@@H]1CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000488957661 332035488 /nfs/dbraw/zinc/03/54/88/332035488.db2.gz VDZWPEXRJGMIHW-GFCCVEGCSA-N 0 1 290.407 3.953 20 0 CHADMN CCC[C@H](C(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1)C(C)C ZINC000489192288 332043272 /nfs/dbraw/zinc/04/32/72/332043272.db2.gz OMEVHVNXTKFWIY-AVGNSLFASA-N 0 1 294.443 3.568 20 0 CHADMN Cc1ccccc1C[C@H](C)N(C)Cc1nccn1C(F)F ZINC000489285023 332045492 /nfs/dbraw/zinc/04/54/92/332045492.db2.gz CYKZUTUZFYWLMD-ZDUSSCGKSA-N 0 1 293.361 3.650 20 0 CHADMN CCCCC[C@H]1CCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000489336575 332047545 /nfs/dbraw/zinc/04/75/45/332047545.db2.gz ZFIUHJUXGCHJEM-ZDUSSCGKSA-N 0 1 277.412 3.718 20 0 CHADMN CCCCc1noc([C@@H](C)N(CC)C[C@H](C)CC)n1 ZINC000489351709 332048080 /nfs/dbraw/zinc/04/80/80/332048080.db2.gz CAXJLFAINZHQSI-CHWSQXEVSA-N 0 1 267.417 3.841 20 0 CHADMN Fc1cncc(CNc2nc3ccc(Cl)cc3s2)c1 ZINC000489805948 332068389 /nfs/dbraw/zinc/06/83/89/332068389.db2.gz PBSCSVAAQHJQPC-UHFFFAOYSA-N 0 1 293.754 3.518 20 0 CHADMN CCCc1noc(CN2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)n1 ZINC000490046768 332078316 /nfs/dbraw/zinc/07/83/16/332078316.db2.gz PWFDXNKDEXXORJ-HOCLYGCPSA-N 0 1 299.418 3.709 20 0 CHADMN C[C@@H](NC1CC(OC(C)(C)C)C1)c1c(F)cccc1F ZINC000490141176 332082480 /nfs/dbraw/zinc/08/24/80/332082480.db2.gz ALLZBXHYBYEMFL-VOMCLLRMSA-N 0 1 283.362 3.962 20 0 CHADMN c1n[nH]nc1SCc1ccccc1Oc1ccccc1 ZINC000490396389 332088321 /nfs/dbraw/zinc/08/83/21/332088321.db2.gz PGWUGRIJOASEMZ-UHFFFAOYSA-N 0 1 283.356 3.889 20 0 CHADMN CC(C)CC[C@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000328395260 333531983 /nfs/dbraw/zinc/53/19/83/333531983.db2.gz VGCLYVXKJVVMQT-NSHDSACASA-N 0 1 255.789 3.960 20 0 CHADMN CC(C)CN(C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000491059042 332143825 /nfs/dbraw/zinc/14/38/25/332143825.db2.gz QWSFGIKSUFXHQJ-UHFFFAOYSA-N 0 1 280.318 3.708 20 0 CHADMN Cc1ccc(-c2nc(CN3CC[C@H](C4CC4)C3)cs2)o1 ZINC000491110830 332150922 /nfs/dbraw/zinc/15/09/22/332150922.db2.gz QVUMLXNAHRRXQI-ZDUSSCGKSA-N 0 1 288.416 3.943 20 0 CHADMN Cc1ccoc1CNCc1cccn1CCC(C)C ZINC000491413787 332207345 /nfs/dbraw/zinc/20/73/45/332207345.db2.gz NGLSAJSVKLEIEV-UHFFFAOYSA-N 0 1 260.381 3.725 20 0 CHADMN FC(F)(F)C1(C(F)(F)F)CCN([C@H]2C=CCCC2)C1 ZINC000172254201 335098972 /nfs/dbraw/zinc/09/89/72/335098972.db2.gz TURUNSVYTCZUCE-VIFPVBQESA-N 0 1 287.247 3.912 20 0 CHADMN CC(C)[C@H](NC(=O)/C=C\C1CCC1)c1nc2ccccc2[nH]1 ZINC000492090498 332382382 /nfs/dbraw/zinc/38/23/82/332382382.db2.gz BKKNYQMQEQFJJM-MQNTZWLQSA-N 0 1 297.402 3.733 20 0 CHADMN COc1ccc(CNC(C)(C)c2ccccc2F)cc1F ZINC000492415730 332396547 /nfs/dbraw/zinc/39/65/47/332396547.db2.gz HGNSIIYABVJZFM-UHFFFAOYSA-N 0 1 291.341 3.998 20 0 CHADMN CCC(CC)(CNCc1coc(-c2ccccc2)n1)OC ZINC000492483406 332399707 /nfs/dbraw/zinc/39/97/07/332399707.db2.gz KKNMHAISNYKKNC-UHFFFAOYSA-N 0 1 288.391 3.636 20 0 CHADMN CCCC[C@@H]1CCC[C@H]1N[C@H](C)c1nnc(CC)o1 ZINC000492819550 332415039 /nfs/dbraw/zinc/41/50/39/332415039.db2.gz SMCCXTKURQCOSU-JHJVBQTASA-N 0 1 265.401 3.642 20 0 CHADMN CO[C@H](c1ccccc1)[C@@H](C)N[C@@H](C)c1nc(C)cs1 ZINC000493936315 332458623 /nfs/dbraw/zinc/45/86/23/332458623.db2.gz KNFICTAFIYLUPG-IPYPFGDCSA-N 0 1 290.432 3.878 20 0 CHADMN CCCc1csc(CNCc2sccc2C)n1 ZINC000494303758 332469676 /nfs/dbraw/zinc/46/96/76/332469676.db2.gz MPJCEAISUQSRFM-UHFFFAOYSA-N 0 1 266.435 3.755 20 0 CHADMN FC(F)C1CCN(Cc2cnc(-c3ccco3)s2)CC1 ZINC000494982879 332497499 /nfs/dbraw/zinc/49/74/99/332497499.db2.gz ARLVDHXLBMKVOM-UHFFFAOYSA-N 0 1 298.358 3.880 20 0 CHADMN CCCc1noc(CN[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n1 ZINC000495380325 332516316 /nfs/dbraw/zinc/51/63/16/332516316.db2.gz PEFZDYFYYLNKTR-MGPQQGTHSA-N 0 1 279.428 3.573 20 0 CHADMN CC[C@H]1C[C@]1(NCc1cnn(CC)c1)c1cccc(C)c1 ZINC000500504663 332611466 /nfs/dbraw/zinc/61/14/66/332611466.db2.gz UGUKUSIMGZBGHI-FUHWJXTLSA-N 0 1 283.419 3.626 20 0 CHADMN C[C@@H](NCc1ccsc1)c1ccc(Cl)cn1 ZINC000274907634 334784951 /nfs/dbraw/zinc/78/49/51/334784951.db2.gz MLZRYWAANGJVGO-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN CCc1cc(OC)ccc1CNCc1ccccc1OC ZINC000501431605 332632916 /nfs/dbraw/zinc/63/29/16/332632916.db2.gz BSZLDJBAJJWZCA-UHFFFAOYSA-N 0 1 285.387 3.556 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2cncnc2C)cc1F ZINC000516584518 332639782 /nfs/dbraw/zinc/63/97/82/332639782.db2.gz YHMRMVDWEVMICU-DGCLKSJQSA-N 0 1 273.355 3.644 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@H]1OC(F)F)c1c(F)cccc1F ZINC000503409872 332688919 /nfs/dbraw/zinc/68/89/19/332688919.db2.gz WYGYLSPUWSUWGL-XXILOJSOSA-N 0 1 291.288 3.776 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000336716418 335115073 /nfs/dbraw/zinc/11/50/73/335115073.db2.gz PGAZVQFZZCSKGI-UWWQBHOKSA-N 0 1 298.430 3.902 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@@H](C)c1nccs1 ZINC000336722012 335115340 /nfs/dbraw/zinc/11/53/40/335115340.db2.gz DRBMFLMVNHIFMU-JGVFFNPUSA-N 0 1 252.305 3.525 20 0 CHADMN C[C@@H](O)[C@@H]1CCCCN1Cc1cc(Cl)ccc1Cl ZINC000513292491 333012647 /nfs/dbraw/zinc/01/26/47/333012647.db2.gz SKTQHMMWDVZKJH-YGRLFVJLSA-N 0 1 288.218 3.729 20 0 CHADMN C[N@H+](Cc1cccc([O-])c1Cl)C1(C)CCCC1 ZINC000513308524 333013216 /nfs/dbraw/zinc/01/32/16/333013216.db2.gz LTBYGAWEEXOPFR-UHFFFAOYSA-N 0 1 253.773 3.810 20 0 CHADMN C[N@@H+](Cc1cccc([O-])c1Cl)C1(C)CCCC1 ZINC000513308524 333013217 /nfs/dbraw/zinc/01/32/17/333013217.db2.gz LTBYGAWEEXOPFR-UHFFFAOYSA-N 0 1 253.773 3.810 20 0 CHADMN C[C@@H]1CN(C/C=C\c2ccc(Cl)cc2)CCS1 ZINC000513376837 333016214 /nfs/dbraw/zinc/01/62/14/333016214.db2.gz QIFOFFLFSORZDO-ZZKXABKFSA-N 0 1 267.825 3.791 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(F)cc(F)c2)s1 ZINC000513416543 333018086 /nfs/dbraw/zinc/01/80/86/333018086.db2.gz ODCNWLXRVMNDHG-UHFFFAOYSA-N 0 1 267.344 3.967 20 0 CHADMN Cc1cc(C)c([C@@H](C)[N@H+]2CCC[C@H](CC(=O)[O-])C2)c(C)c1 ZINC000086756920 333026880 /nfs/dbraw/zinc/02/68/80/333026880.db2.gz KRZJLRYDZUBYTE-HZPDHXFCSA-N 0 1 289.419 3.860 20 0 CHADMN Cc1ccn2c(CN3CCc4ccccc4[C@@H]3C)cnc2c1 ZINC000513678662 333031806 /nfs/dbraw/zinc/03/18/06/333031806.db2.gz QUIDTMUPLRCCLL-HNNXBMFYSA-N 0 1 291.398 3.762 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1Cc1csc2ccccc12 ZINC000513787199 333039270 /nfs/dbraw/zinc/03/92/70/333039270.db2.gz VENIKOQJZZZYPT-TZMCWYRMSA-N 0 1 275.417 3.901 20 0 CHADMN COc1cc(C)ccc1CN[C@H]1CCc2c1cccc2F ZINC000513865695 333044492 /nfs/dbraw/zinc/04/44/92/333044492.db2.gz JBKYWMQIFNTSAM-KRWDZBQOSA-N 0 1 285.362 3.920 20 0 CHADMN Cc1nccc(N[C@@H](C)c2cncs2)c1Cl ZINC000309920369 333051367 /nfs/dbraw/zinc/05/13/67/333051367.db2.gz RSECBHSNJWGATK-ZETCQYMHSA-N 0 1 253.758 3.673 20 0 CHADMN CCc1nc(S[C@H]2CCCCc3ccccc32)n[nH]1 ZINC000177227783 333055575 /nfs/dbraw/zinc/05/55/75/333055575.db2.gz GPNNGMRHBLEGOC-ZDUSSCGKSA-N 0 1 273.405 3.927 20 0 CHADMN CCc1n[nH]c(S[C@H]2CCCCc3ccccc32)n1 ZINC000177227783 333055576 /nfs/dbraw/zinc/05/55/76/333055576.db2.gz GPNNGMRHBLEGOC-ZDUSSCGKSA-N 0 1 273.405 3.927 20 0 CHADMN CN(C/C=C/c1ccccc1)C[C@H]1OCCc2ccccc21 ZINC000514000504 333058753 /nfs/dbraw/zinc/05/87/53/333058753.db2.gz YILPWODVFDEMIH-JRMCHAMMSA-N 0 1 293.410 3.946 20 0 CHADMN C[C@@H]1CSC[C@@H]1N[C@@H](c1ccco1)c1ccccc1 ZINC000311572721 333069949 /nfs/dbraw/zinc/06/99/49/333069949.db2.gz RGFCMSYBTXBGLS-IVMMDQJWSA-N 0 1 273.401 3.710 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000516777732 333082392 /nfs/dbraw/zinc/08/23/92/333082392.db2.gz OOBBXZYHCIWNIO-CYBMUJFWSA-N 0 1 281.421 3.847 20 0 CHADMN CCOc1ccc(CNc2nc3ccccc3s2)cc1 ZINC000516813768 333083247 /nfs/dbraw/zinc/08/32/47/333083247.db2.gz FQYVWKOPIUZEIU-UHFFFAOYSA-N 0 1 284.384 3.729 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCCC3(C2)CCCCCC3)c1 ZINC000516872543 333084796 /nfs/dbraw/zinc/08/47/96/333084796.db2.gz FHRCDPNLLQESOL-UHFFFAOYSA-N 0 1 291.391 3.914 20 0 CHADMN CCCCc1noc([C@H](C)N2CCC[C@@H](CC)CC2)n1 ZINC000516891006 333085084 /nfs/dbraw/zinc/08/50/84/333085084.db2.gz ZKJAUGOSCRVROF-UONOGXRCSA-N 0 1 279.428 3.985 20 0 CHADMN CC[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccc(OC)cc1 ZINC000517538934 333101476 /nfs/dbraw/zinc/10/14/76/333101476.db2.gz TYDLYVIVPLIIJG-MRXNPFEDSA-N 0 1 295.386 3.812 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNCc2ccc3c[nH]nc3c2)o1 ZINC000517542834 333101916 /nfs/dbraw/zinc/10/19/16/333101916.db2.gz DPOWSKMPBWFDRG-XHDPSFHLSA-N 0 1 281.359 3.569 20 0 CHADMN COC[C@@H](N[C@H](C)c1ccsc1)c1ccccc1 ZINC000089668873 333102609 /nfs/dbraw/zinc/10/26/09/333102609.db2.gz CFAYOTJVTCTVGJ-IUODEOHRSA-N 0 1 261.390 3.786 20 0 CHADMN CSc1ccc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000517628984 333104259 /nfs/dbraw/zinc/10/42/59/333104259.db2.gz PDGJTPFHQPKYAH-CVEARBPZSA-N 0 1 291.460 3.798 20 0 CHADMN COC[C@H](NCc1nc(C2CCCCC2)cs1)C(C)C ZINC000520957114 333108627 /nfs/dbraw/zinc/10/86/27/333108627.db2.gz OZJMAIRNERFFDA-AWEZNQCLSA-N 0 1 296.480 3.951 20 0 CHADMN CC[C@@H](NCc1nc2ccccc2[nH]1)c1ccc(OC)cc1 ZINC000336852008 335121312 /nfs/dbraw/zinc/12/13/12/335121312.db2.gz HMTXJQZGJLLPPV-OAHLLOKOSA-N 0 1 295.386 3.812 20 0 CHADMN CCc1cc(NC(=O)Cc2n[nH]c3ccccc23)ccc1C ZINC000183191969 333119320 /nfs/dbraw/zinc/11/93/20/333119320.db2.gz NASKNLRMLXYYJP-UHFFFAOYSA-N 0 1 293.370 3.615 20 0 CHADMN c1ccc2c(c1)COC[C@H]2NCc1cccc2cccnc21 ZINC000336864930 335122131 /nfs/dbraw/zinc/12/21/31/335122131.db2.gz SKWHLCAYGQXCOO-GOSISDBHSA-N 0 1 290.366 3.596 20 0 CHADMN CCCC[C@@H]1CCC[C@H]1N[C@@H](C)c1nc(CC)no1 ZINC000184699335 333131564 /nfs/dbraw/zinc/13/15/64/333131564.db2.gz LSERXBALEHBVKK-YNEHKIRRSA-N 0 1 265.401 3.642 20 0 CHADMN CC/C=C/CCN[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185445578 333140909 /nfs/dbraw/zinc/14/09/09/333140909.db2.gz IGPXIRCPTXXQRP-ITKZLYELSA-N 0 1 289.354 3.883 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H](c1ccc(F)cc1)C(C)C ZINC000219086687 333141398 /nfs/dbraw/zinc/14/13/98/333141398.db2.gz SYVVBVFILMDEGS-CJNGLKHVSA-N 0 1 287.382 3.972 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2nccnc2C)c(C)c1 ZINC000219103162 333141592 /nfs/dbraw/zinc/14/15/92/333141592.db2.gz UAYOTYTYHREWTM-UKRRQHHQSA-N 0 1 269.392 3.814 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1ccc(C(C)C)cc1 ZINC000219110507 333141838 /nfs/dbraw/zinc/14/18/38/333141838.db2.gz VZNQSZIQTMLUSV-CQSZACIVSA-N 0 1 269.392 3.759 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@H](O)CC(C)(C)C)cs1 ZINC000186344118 333159011 /nfs/dbraw/zinc/15/90/11/333159011.db2.gz DBAZIUWYQRYBGD-NWDGAFQWSA-N 0 1 284.469 3.714 20 0 CHADMN C[C@H](CCC1CC1)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000186388269 333159998 /nfs/dbraw/zinc/15/99/98/333159998.db2.gz NHIGXURPQQYOAS-CHWSQXEVSA-N 0 1 285.391 3.966 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](CCO)c2ccco2)c(C)s1 ZINC000186529399 333162563 /nfs/dbraw/zinc/16/25/63/333162563.db2.gz OPXSNCLKDJZSTR-FZMZJTMJSA-N 0 1 279.405 3.732 20 0 CHADMN C[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186591082 333163315 /nfs/dbraw/zinc/16/33/15/333163315.db2.gz PQCAJWZKJRFXQM-ZDUSSCGKSA-N 0 1 275.392 3.706 20 0 CHADMN CCCc1cccc(CNCc2cn3cccc(C)c3n2)c1 ZINC000187252270 333168945 /nfs/dbraw/zinc/16/89/45/333168945.db2.gz FDNUHNXXBJKXGG-UHFFFAOYSA-N 0 1 293.414 3.885 20 0 CHADMN CCCc1cccc(CNCc2ccc(Cl)cn2)c1 ZINC000187353190 333169843 /nfs/dbraw/zinc/16/98/43/333169843.db2.gz OINUKXUGWGBGGN-UHFFFAOYSA-N 0 1 274.795 3.977 20 0 CHADMN COc1ccc(F)cc1CN[C@H]1c2ccccc2C[C@H]1C ZINC000187597242 333172774 /nfs/dbraw/zinc/17/27/74/333172774.db2.gz MCEHHMUEKUNAPP-KZULUSFZSA-N 0 1 285.362 3.857 20 0 CHADMN C(C[C@@H]1CCCO1)Sc1nnc(CCC2CCCC2)[nH]1 ZINC000188909635 333175924 /nfs/dbraw/zinc/17/59/24/333175924.db2.gz LSKJKCZVSMPUGE-ZDUSSCGKSA-N 0 1 295.452 3.589 20 0 CHADMN C(C[C@@H]1CCCO1)Sc1nc(CCC2CCCC2)n[nH]1 ZINC000188909635 333175925 /nfs/dbraw/zinc/17/59/25/333175925.db2.gz LSKJKCZVSMPUGE-ZDUSSCGKSA-N 0 1 295.452 3.589 20 0 CHADMN CC1CCC([N@@H+](CCCCCC(=O)[O-])C2CC2)CC1 ZINC000521634059 333180519 /nfs/dbraw/zinc/18/05/19/333180519.db2.gz MWCSUHRFVQMPGC-UHFFFAOYSA-N 0 1 267.413 3.675 20 0 CHADMN C[C@@H]1CN(Cc2cccc(Cl)c2)CCC1(F)F ZINC000575873764 335126918 /nfs/dbraw/zinc/12/69/18/335126918.db2.gz BIJLLXYKTXCJMR-SNVBAGLBSA-N 0 1 259.727 3.817 20 0 CHADMN Clc1ccc([C@H](NCc2cnccn2)C2CCC2)cc1 ZINC000564178822 333184093 /nfs/dbraw/zinc/18/40/93/333184093.db2.gz WLGXMQJRGONXOC-MRXNPFEDSA-N 0 1 287.794 3.761 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CC[C@@H](C)[C@H]3C)n[nH]2)c(C)c1 ZINC000189202693 333184660 /nfs/dbraw/zinc/18/46/60/333184660.db2.gz AJELZYWKKKLIOO-TZMCWYRMSA-N 0 1 297.402 3.564 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000572523012 333184873 /nfs/dbraw/zinc/18/48/73/333184873.db2.gz RMLLQSDNBWRDIC-LBTNJELSSA-N 0 1 297.398 3.943 20 0 CHADMN C[C@@H](NCCOC(F)(F)F)c1ccc(F)cc1Cl ZINC000189228016 333186683 /nfs/dbraw/zinc/18/66/83/333186683.db2.gz SPEZRJUUZZKDMW-SSDOTTSWSA-N 0 1 285.668 3.666 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CCN2CCOCC(F)F)o1 ZINC000189484386 333193519 /nfs/dbraw/zinc/19/35/19/333193519.db2.gz DONFLDWLJHDAGL-YPMHNXCESA-N 0 1 287.350 3.643 20 0 CHADMN Clc1ccccc1[C@H]1CCC[C@H]1NCc1ncccn1 ZINC000521900387 333197043 /nfs/dbraw/zinc/19/70/43/333197043.db2.gz LPETXRVLUCKMPW-UKRRQHHQSA-N 0 1 287.794 3.556 20 0 CHADMN C[C@@H](NC[C@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1Cl ZINC000222698578 333199052 /nfs/dbraw/zinc/19/90/52/333199052.db2.gz HVHIIAVYYPLLGG-ZYHUDNBSSA-N 0 1 287.234 3.738 20 0 CHADMN C[C@H](c1ccc(Cl)c(Cl)c1)N1C[C@@H](C)[C@H](CO)C1 ZINC000190858576 333211751 /nfs/dbraw/zinc/21/17/51/333211751.db2.gz UMTYHXWPCGWJOQ-FOGDFJRCSA-N 0 1 288.218 3.615 20 0 CHADMN C[C@H](NC[C@H]1CC[C@@H](C)O1)c1c(F)cccc1Cl ZINC000191062261 333214541 /nfs/dbraw/zinc/21/45/41/333214541.db2.gz JVJLPOPBOPVREU-OUAUKWLOSA-N 0 1 271.763 3.697 20 0 CHADMN CCCc1noc(CN[C@@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000191361072 333218653 /nfs/dbraw/zinc/21/86/53/333218653.db2.gz UEGBTRZIISSPTO-JKSUJKDBSA-N 0 1 299.418 3.523 20 0 CHADMN c1snnc1CNC1CCC2(CCCCC2)CC1 ZINC000191553319 333221396 /nfs/dbraw/zinc/22/13/96/333221396.db2.gz MZOPRXBTUHZFHH-UHFFFAOYSA-N 0 1 265.426 3.521 20 0 CHADMN C[C@@H](NC1CCC(C)(C)CC1)c1nc(C(C)(C)C)no1 ZINC000191572745 333221647 /nfs/dbraw/zinc/22/16/47/333221647.db2.gz SLHJOBPIVCYOAX-LLVKDONJSA-N 0 1 279.428 3.987 20 0 CHADMN CCCC[C@@H](C)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000191575502 333221925 /nfs/dbraw/zinc/22/19/25/333221925.db2.gz ZXKRXXIZFXEQKK-GHMZBOCLSA-N 0 1 253.390 3.596 20 0 CHADMN C[C@H](N[C@H]1CCCC1(C)C)c1nc(Cc2ccccc2)no1 ZINC000191597073 333222166 /nfs/dbraw/zinc/22/21/66/333222166.db2.gz CDGIRTZVDJTDBI-ZFWWWQNUSA-N 0 1 299.418 3.890 20 0 CHADMN FC(F)C1(NCc2ccc3nc[nH]c3c2)CCCCC1 ZINC000575889644 335128643 /nfs/dbraw/zinc/12/86/43/335128643.db2.gz BBLCVSBHAMICAQ-UHFFFAOYSA-N 0 1 279.334 3.621 20 0 CHADMN C[C@H](NCCCc1ccccc1)c1nc(C(C)(C)C)no1 ZINC000192680309 333237662 /nfs/dbraw/zinc/23/76/62/333237662.db2.gz STBIRZNQKJRZCL-ZDUSSCGKSA-N 0 1 287.407 3.651 20 0 CHADMN C[C@@H](NCc1cnc(-c2ccco2)s1)c1cccnc1 ZINC000192982013 333240879 /nfs/dbraw/zinc/24/08/79/333240879.db2.gz NTPKXCKVFKCKIC-LLVKDONJSA-N 0 1 285.372 3.649 20 0 CHADMN c1cc2c(o1)CCC[C@H]2N[C@H]1COCc2ccccc21 ZINC000225981753 333244070 /nfs/dbraw/zinc/24/40/70/333244070.db2.gz NAHYLKCTINYDMH-CVEARBPZSA-N 0 1 269.344 3.518 20 0 CHADMN COc1cccc([C@@H](C)N[C@H]2COCc3ccccc32)c1 ZINC000225991474 333244744 /nfs/dbraw/zinc/24/47/44/333244744.db2.gz MAUYMLRRYWOUQT-ACJLOTCBSA-N 0 1 283.371 3.617 20 0 CHADMN CCOc1ccc(CN[C@H]2c3ccccc3O[C@@H]2C)cc1 ZINC000575900965 335129336 /nfs/dbraw/zinc/12/93/36/335129336.db2.gz VVAGSUVCTJINNN-FZKQIMNGSA-N 0 1 283.371 3.697 20 0 CHADMN CC(C)c1noc(CN(C(C)C)C2CCCCC2)n1 ZINC000195527386 333254694 /nfs/dbraw/zinc/25/46/94/333254694.db2.gz SDOCCOJULNKLIG-UHFFFAOYSA-N 0 1 265.401 3.736 20 0 CHADMN Cc1cnc([C@@H](C)NCc2cccc3cc[nH]c32)s1 ZINC000226783412 333269180 /nfs/dbraw/zinc/26/91/80/333269180.db2.gz NKBAUDGQZGIKFD-LLVKDONJSA-N 0 1 271.389 3.784 20 0 CHADMN Cc1nc2cc(NCc3ccc4nc[nH]c4c3)ccc2o1 ZINC000522283004 333278809 /nfs/dbraw/zinc/27/88/09/333278809.db2.gz OBMDRGBJGDYJNX-UHFFFAOYSA-N 0 1 278.315 3.625 20 0 CHADMN Cc1c2ccccc2n(C)c1CN[C@@H](C)c1ccco1 ZINC000227520102 333284626 /nfs/dbraw/zinc/28/46/26/333284626.db2.gz YSMBYNSUCFUQGD-ZDUSSCGKSA-N 0 1 268.360 3.931 20 0 CHADMN C[C@H]1CCC[C@H](NC(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000227535684 333285231 /nfs/dbraw/zinc/28/52/31/333285231.db2.gz YRERCEXIKGLHDO-JQWIXIFHSA-N 0 1 281.783 3.744 20 0 CHADMN CC[C@@H](C)Sc1nc(C=Cc2ccccc2)n[nH]1 ZINC000523112933 333309585 /nfs/dbraw/zinc/30/95/85/333309585.db2.gz MWWREEXSEXKFFI-DWOQACPDSA-N 0 1 259.378 3.866 20 0 CHADMN C[C@@]1(O)CCCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000230377190 333316730 /nfs/dbraw/zinc/31/67/30/333316730.db2.gz AOYHSLYXBIVQOY-CQSZACIVSA-N 0 1 288.218 3.730 20 0 CHADMN C[C@@H](NC1c2ccccc2-c2ccccc21)c1cn[nH]c1 ZINC000231043694 333323875 /nfs/dbraw/zinc/32/38/75/333323875.db2.gz LJIOVVZFKLDCGO-GFCCVEGCSA-N 0 1 275.355 3.830 20 0 CHADMN C[C@@H](O)C[C@H]1CCCCN1Cc1ccc(F)c(Cl)c1 ZINC000231084800 333324049 /nfs/dbraw/zinc/32/40/49/333324049.db2.gz CYHSFLNTXDKOKK-DGCLKSJQSA-N 0 1 285.790 3.605 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@@H](C)c1nc2ccccc2n1C ZINC000231790954 333329706 /nfs/dbraw/zinc/32/97/06/333329706.db2.gz HVNLLOMFIZZCQQ-ZJUUUORDSA-N 0 1 285.313 3.565 20 0 CHADMN CC[C@H](C)CN(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000523609409 333334172 /nfs/dbraw/zinc/33/41/72/333334172.db2.gz NQJVUDUYXDBOLG-LBPRGKRZSA-N 0 1 273.380 3.523 20 0 CHADMN C[C@@H](CCC1CCCCC1)Nc1ncnc2[nH]cnc21 ZINC000523753871 333343905 /nfs/dbraw/zinc/34/39/05/333343905.db2.gz ZXMIPMQRAGPXLU-NSHDSACASA-N 0 1 273.384 3.514 20 0 CHADMN CCCc1noc(CN2CCC[C@H](C(C)(C)C)CC2)n1 ZINC000523859220 333348256 /nfs/dbraw/zinc/34/82/56/333348256.db2.gz YQMAPCXWIYWXGX-ZDUSSCGKSA-N 0 1 279.428 3.670 20 0 CHADMN CCOC[C@H](NCc1nc(C(C)(C)C)cs1)C(C)C ZINC000233780522 333354999 /nfs/dbraw/zinc/35/49/99/333354999.db2.gz AVNNUNTZADFOIR-LBPRGKRZSA-N 0 1 284.469 3.591 20 0 CHADMN COc1cccc(CNCc2ccc(C)cc2Cl)c1 ZINC000234994479 333364109 /nfs/dbraw/zinc/36/41/09/333364109.db2.gz DPKDKCGKEJVFAQ-UHFFFAOYSA-N 0 1 275.779 3.947 20 0 CHADMN C[C@@H](N[C@H]1CCCc2ccc(O)cc21)c1cccnc1 ZINC000235206267 333366548 /nfs/dbraw/zinc/36/65/48/333366548.db2.gz PBZQUHOKOJXMOS-PXAZEXFGSA-N 0 1 268.360 3.515 20 0 CHADMN CN([C@H](c1cnn(C)c1)c1cccc(F)c1)[C@H]1C=CCCC1 ZINC000524597571 333368001 /nfs/dbraw/zinc/36/80/01/333368001.db2.gz HBPQANQYVBWILX-ROUUACIJSA-N 0 1 299.393 3.689 20 0 CHADMN COC(=O)c1ccc(CNCc2cccc3ccccc32)o1 ZINC000315611155 333382792 /nfs/dbraw/zinc/38/27/92/333382792.db2.gz MKSDQHAIARGDKG-UHFFFAOYSA-N 0 1 295.338 3.509 20 0 CHADMN CC(C)(C)[C@H]1CCCN1Cc1nc(Cc2ccccc2)no1 ZINC000524758509 333387247 /nfs/dbraw/zinc/38/72/47/333387247.db2.gz BEVGGAPIEZZZHG-OAHLLOKOSA-N 0 1 299.418 3.671 20 0 CHADMN CCCN(Cc1ncc(CC)o1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000524758791 333387413 /nfs/dbraw/zinc/38/74/13/333387413.db2.gz XRSXBNHAWZUDNA-LSDHHAIUSA-N 0 1 294.439 3.653 20 0 CHADMN COCc1nc(CN2CC[C@H](C)[C@@H]3CCCC[C@H]32)cs1 ZINC000524759077 333387530 /nfs/dbraw/zinc/38/75/30/333387530.db2.gz ZCLYLTVAPWKDAH-AEGPPILISA-N 0 1 294.464 3.690 20 0 CHADMN CCCN(C)CC(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000524966644 333394281 /nfs/dbraw/zinc/39/42/81/333394281.db2.gz ROBMPGJGOOJPEV-UHFFFAOYSA-N 0 1 297.402 3.711 20 0 CHADMN Cc1ncc(CN[C@H](C)c2cc3c(s2)CCCC3)o1 ZINC000398008744 333431602 /nfs/dbraw/zinc/43/16/02/333431602.db2.gz ZBMURYJPDGWVKX-SNVBAGLBSA-N 0 1 276.405 3.774 20 0 CHADMN C/C(Cl)=C\CN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000528452182 333439025 /nfs/dbraw/zinc/43/90/25/333439025.db2.gz RGMABDIBDMNGMA-QQFGACLNSA-N 0 1 284.856 3.569 20 0 CHADMN CC(C)(C)O[C@@H]1C[C@H](NCc2ncccc2Cl)C1(C)C ZINC000528528710 333444896 /nfs/dbraw/zinc/44/48/96/333444896.db2.gz YCFWJTIYKGNZHK-UONOGXRCSA-N 0 1 296.842 3.807 20 0 CHADMN Fc1cccnc1CN[C@@H](CC1CC1)c1ccccc1 ZINC000530419237 333547057 /nfs/dbraw/zinc/54/70/57/333547057.db2.gz ZIIIZTNDUUNBEH-INIZCTEOSA-N 0 1 270.351 3.852 20 0 CHADMN Fc1ccc(Br)c(CN[C@H]2C=CCCC2)c1 ZINC000126933907 333613915 /nfs/dbraw/zinc/61/39/15/333613915.db2.gz FCVSSEFTSVLCRP-LBPRGKRZSA-N 0 1 284.172 3.787 20 0 CHADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C1=CCCCCC1 ZINC000576080302 335150049 /nfs/dbraw/zinc/15/00/49/335150049.db2.gz XLXLPULEBKQITI-UHFFFAOYSA-N 0 1 289.423 3.556 20 0 CHADMN Cc1ccc(-c2ccc(CNCc3cccnc3)o2)cc1 ZINC000127812022 333636033 /nfs/dbraw/zinc/63/60/33/333636033.db2.gz GIUAEHLOUUVFSZ-UHFFFAOYSA-N 0 1 278.355 3.940 20 0 CHADMN Cc1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1Cl ZINC000539367204 333667701 /nfs/dbraw/zinc/66/77/01/333667701.db2.gz BCWDPNANGXUUMO-UHFFFAOYSA-N 0 1 299.754 3.588 20 0 CHADMN COC(=O)c1coc([C@H](C)N[C@@H]2CCc3c2cccc3C)c1 ZINC000576101128 335153764 /nfs/dbraw/zinc/15/37/64/335153764.db2.gz NLMCTBAWAVJHCV-BLLLJJGKSA-N 0 1 299.370 3.713 20 0 CHADMN COc1cccc(CN2CCC(C)(C)CC2)c1OC(F)F ZINC000539839597 333698029 /nfs/dbraw/zinc/69/80/29/333698029.db2.gz VUXWOSSOVOENQB-UHFFFAOYSA-N 0 1 299.361 3.919 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cc3ccccc3o2)c(C)n1 ZINC000540120155 333710745 /nfs/dbraw/zinc/71/07/45/333710745.db2.gz ZTYWDFSAEAYOIN-LLVKDONJSA-N 0 1 281.359 3.690 20 0 CHADMN Cc1nc(-c2ccccc2)sc1[C@@H](C)NCCF ZINC000541660663 333786420 /nfs/dbraw/zinc/78/64/20/333786420.db2.gz RTXKHTCYRHUNIF-SNVBAGLBSA-N 0 1 264.369 3.739 20 0 CHADMN C[C@@H]1CC[C@H](N[C@H](c2ncc[nH]2)c2ccccc2)C[C@@H]1C ZINC000129683675 333787667 /nfs/dbraw/zinc/78/76/67/333787667.db2.gz MLXZNSCYONFJGR-OHFALNGGSA-N 0 1 283.419 3.913 20 0 CHADMN C[C@@H]1CCN(C(=O)c2c(O)cccc2F)[C@@H]2CCCC[C@@H]12 ZINC000541861827 333795230 /nfs/dbraw/zinc/79/52/30/333795230.db2.gz VTRHMWDAIWHHRL-MBNYWOFBSA-N 0 1 291.366 3.572 20 0 CHADMN Cc1oncc1CNC(C)(C)c1cccc(Cl)c1 ZINC000129881040 333797523 /nfs/dbraw/zinc/79/75/23/333797523.db2.gz JRWRSEJYFHUXSS-UHFFFAOYSA-N 0 1 264.756 3.661 20 0 CHADMN COC(=O)c1ccc([C@@H](C)N(C)Cc2sccc2C)o1 ZINC000340763256 335160486 /nfs/dbraw/zinc/16/04/86/335160486.db2.gz HMXGLROODWIXPM-LLVKDONJSA-N 0 1 293.388 3.629 20 0 CHADMN CCc1cnc(CNC/C(C)=C/c2ccccc2)s1 ZINC000174627359 335161050 /nfs/dbraw/zinc/16/10/50/335161050.db2.gz IQTJNGMKNVDSAT-UKTHLTGXSA-N 0 1 272.417 3.899 20 0 CHADMN CCc1cnc(CN2CCC(C(C)C)CC2)s1 ZINC000543393413 333870639 /nfs/dbraw/zinc/87/06/39/333870639.db2.gz DTTKKGFNTMUASQ-UHFFFAOYSA-N 0 1 252.427 3.574 20 0 CHADMN CCOc1nnc(CN[C@@H](C)[C@@H](C)C2CCCCC2)s1 ZINC000543463906 333876666 /nfs/dbraw/zinc/87/66/66/333876666.db2.gz XEUQRQMNEAQCEE-NEPJUHHUSA-N 0 1 297.468 3.631 20 0 CHADMN Cc1ccc(-c2nc(CNC3(C4CC4)CC3)cs2)o1 ZINC000544417484 333930555 /nfs/dbraw/zinc/93/05/55/333930555.db2.gz UZSHMZRNBAZSLG-UHFFFAOYSA-N 0 1 274.389 3.744 20 0 CHADMN COCC1(NCc2cc(Cl)ccc2Cl)CCC1 ZINC000341227431 335166805 /nfs/dbraw/zinc/16/68/05/335166805.db2.gz MQOACYZZTFKEBI-UHFFFAOYSA-N 0 1 274.191 3.652 20 0 CHADMN COC(=O)c1ccc(CN[C@@H](C)c2c(C)cccc2C)o1 ZINC000544893372 333950833 /nfs/dbraw/zinc/95/08/33/333950833.db2.gz BOTFYAMLHBGKHU-ZDUSSCGKSA-N 0 1 287.359 3.534 20 0 CHADMN CC[C@@H]1CN(Cc2nccn2CC)CC[C@@H]1c1ccccc1 ZINC000174885571 335168626 /nfs/dbraw/zinc/16/86/26/335168626.db2.gz SINGWYLFZBMABJ-AEFFLSMTSA-N 0 1 297.446 3.919 20 0 CHADMN Clc1ccc(-n2ccc(CN3C4CCC3CC4)n2)cc1 ZINC000545937924 334007736 /nfs/dbraw/zinc/00/77/36/334007736.db2.gz ZHLUNMWARSXIKT-UHFFFAOYSA-N 0 1 287.794 3.653 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@H]1CCc3ccccc31)CO2 ZINC000545942678 334008251 /nfs/dbraw/zinc/00/82/51/334008251.db2.gz FSLIWYMRUWDSAJ-HOTGVXAUSA-N 0 1 269.319 3.536 20 0 CHADMN CN(C)Cc1cc(NCC2(C)CC2)ccc1Cl ZINC000545961238 334009345 /nfs/dbraw/zinc/00/93/45/334009345.db2.gz WPQRZMTWJPRNSI-UHFFFAOYSA-N 0 1 252.789 3.614 20 0 CHADMN CC[C@H](CC(F)(F)F)NCc1cccc(F)c1F ZINC000546178509 334018542 /nfs/dbraw/zinc/01/85/42/334018542.db2.gz FKMNOFNMLIAVQT-SECBINFHSA-N 0 1 267.241 3.785 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N2CCC(C)(C)C2)n1 ZINC000074991860 334022218 /nfs/dbraw/zinc/02/22/18/334022218.db2.gz MGOMUXVCOPLWEF-ZDUSSCGKSA-N 0 1 285.391 3.838 20 0 CHADMN CC(C)C[C@@H]1CCN([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000074994105 334022383 /nfs/dbraw/zinc/02/23/83/334022383.db2.gz HZLUWSAGYQZVCQ-STQMWFEESA-N 0 1 265.401 3.622 20 0 CHADMN Cc1cc(-c2noc([C@@H]3CC=CCC3)n2)cc2nc[nH]c21 ZINC000546443501 334033003 /nfs/dbraw/zinc/03/30/03/334033003.db2.gz LDZNDFPIDQQLOO-LLVKDONJSA-N 0 1 280.331 3.745 20 0 CHADMN C[C@H]1CCN(Cc2nnc(C3CC3)o2)CC12CCCCC2 ZINC000546610055 334040068 /nfs/dbraw/zinc/04/00/68/334040068.db2.gz YTYNLOLFTSJTQI-ZDUSSCGKSA-N 0 1 289.423 3.739 20 0 CHADMN CCc1ccc(CN[C@@H]2c3ccccc3C[C@H]2C)o1 ZINC000133630936 334048238 /nfs/dbraw/zinc/04/82/38/334048238.db2.gz SXYWJTRQYVFMCF-PXAZEXFGSA-N 0 1 255.361 3.865 20 0 CHADMN CCOc1ccccc1OCCN(C)[C@@H](C)c1ccco1 ZINC000075674400 334048715 /nfs/dbraw/zinc/04/87/15/334048715.db2.gz OEECFAHOHFKCHP-AWEZNQCLSA-N 0 1 289.375 3.750 20 0 CHADMN CCCc1nc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cs1 ZINC000075768656 334050835 /nfs/dbraw/zinc/05/08/35/334050835.db2.gz SBSLUSDZHNQRAI-JSGCOSHPSA-N 0 1 264.438 3.860 20 0 CHADMN CCCc1nc(CN2CCC[C@@H]3CCC[C@@H]32)cs1 ZINC000075768656 334050837 /nfs/dbraw/zinc/05/08/37/334050837.db2.gz SBSLUSDZHNQRAI-JSGCOSHPSA-N 0 1 264.438 3.860 20 0 CHADMN COCCCCCN1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000075784187 334050999 /nfs/dbraw/zinc/05/09/99/334050999.db2.gz GLXQJRUWKUZIQI-AEFFLSMTSA-N 0 1 291.435 3.574 20 0 CHADMN CC1(C)CCN(Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000076014268 334066458 /nfs/dbraw/zinc/06/64/58/334066458.db2.gz UYQBDWIQLVGHFT-UHFFFAOYSA-N 0 1 291.782 3.622 20 0 CHADMN Cc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)c(F)c1 ZINC000547161689 334070158 /nfs/dbraw/zinc/07/01/58/334070158.db2.gz LGRRKSQTRGTZDI-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN CC(C)(C)C=Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000547167441 334070513 /nfs/dbraw/zinc/07/05/13/334070513.db2.gz IWJWYXZCLATRJZ-SREVYHEPSA-N 0 1 268.320 3.672 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)N3CCC[C@@H]3C)n2)ccc1F ZINC000076114454 334072860 /nfs/dbraw/zinc/07/28/60/334072860.db2.gz OMHOVOGQBZVRKH-NWDGAFQWSA-N 0 1 289.354 3.729 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cccc(OC(F)F)c2)nc1 ZINC000133958637 334075252 /nfs/dbraw/zinc/07/52/52/334075252.db2.gz CBINMSTWDUETIB-LBPRGKRZSA-N 0 1 292.329 3.842 20 0 CHADMN C[C@@H](NCc1ccc2ncccc2c1)c1ccoc1 ZINC000134052672 334078798 /nfs/dbraw/zinc/07/87/98/334078798.db2.gz YXTLYBGYDFAPHA-GFCCVEGCSA-N 0 1 252.317 3.679 20 0 CHADMN CCOc1ncccc1CNC/C(C)=C/c1ccccc1 ZINC000237008899 334079459 /nfs/dbraw/zinc/07/94/59/334079459.db2.gz GGCDOPZYYVVJPN-NTCAYCPXSA-N 0 1 282.387 3.673 20 0 CHADMN Cc1ccccc1CNC1(c2ccccc2F)CC1 ZINC000076766972 334088566 /nfs/dbraw/zinc/08/85/66/334088566.db2.gz IEZSWBUYLSMHQA-UHFFFAOYSA-N 0 1 255.336 3.913 20 0 CHADMN CCC[C@@H]1CCCC[C@H]1NCc1nc(CC(C)C)no1 ZINC000547509017 334096264 /nfs/dbraw/zinc/09/62/64/334096264.db2.gz PQQCLQJWOQWJRE-ZIAGYGMSSA-N 0 1 279.428 3.717 20 0 CHADMN Cc1nc(SC[C@@H]2CCCOC2)[nH]c1-c1ccccc1 ZINC000547631423 334104349 /nfs/dbraw/zinc/10/43/49/334104349.db2.gz ORLGXTABFOPFMG-CYBMUJFWSA-N 0 1 288.416 3.904 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000564326751 334105261 /nfs/dbraw/zinc/10/52/61/334105261.db2.gz URRSGJVZWBPFGV-INIZCTEOSA-N 0 1 296.374 3.648 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(Br)cc1 ZINC000134969989 334110044 /nfs/dbraw/zinc/11/00/44/334110044.db2.gz BLDOKJCJROTQCM-WDEREUQCSA-N 0 1 268.198 3.679 20 0 CHADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000134969970 334110186 /nfs/dbraw/zinc/11/01/86/334110186.db2.gz BLDOKJCJROTQCM-GHMZBOCLSA-N 0 1 268.198 3.679 20 0 CHADMN Cc1cc(Br)ccc1CN1[C@@H](C)C[C@@H]1C ZINC000547770153 334116188 /nfs/dbraw/zinc/11/61/88/334116188.db2.gz QHIJLRWANPKPDT-QWRGUYRKSA-N 0 1 268.198 3.740 20 0 CHADMN CCOc1cccc(CN2CCCc3occc3C2)c1 ZINC000564330876 334117647 /nfs/dbraw/zinc/11/76/47/334117647.db2.gz SSENYZWQGDJPTB-UHFFFAOYSA-N 0 1 271.360 3.627 20 0 CHADMN CC1(C)Cc2cccc(CNCc3ccc(F)cc3)c2O1 ZINC000078005635 334120443 /nfs/dbraw/zinc/12/04/43/334120443.db2.gz BKGVOMQJGISDLU-UHFFFAOYSA-N 0 1 285.362 3.829 20 0 CHADMN CN(CCC1CC1)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000135291860 334123748 /nfs/dbraw/zinc/12/37/48/334123748.db2.gz PRSGCGFNSMKMOY-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN C[C@@H](CN(C)Cc1nc2ccccc2[nH]1)c1ccccc1 ZINC000547832103 334124889 /nfs/dbraw/zinc/12/48/89/334124889.db2.gz BJBIGMXVWHHMEQ-AWEZNQCLSA-N 0 1 279.387 3.798 20 0 CHADMN CC[C@H](NCc1cnccc1C)c1ccccc1OC ZINC000135442203 334130047 /nfs/dbraw/zinc/13/00/47/334130047.db2.gz DQRNDKXCFJVEGA-INIZCTEOSA-N 0 1 270.376 3.640 20 0 CHADMN c1ccc2cc(CN3CCOCC34CCC4)ccc2c1 ZINC000135491931 334131639 /nfs/dbraw/zinc/13/16/39/334131639.db2.gz ZYKGWTAGZOJNRV-UHFFFAOYSA-N 0 1 267.372 3.595 20 0 CHADMN CC(C)(O)[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000547982414 334133565 /nfs/dbraw/zinc/13/35/65/334133565.db2.gz WEVMPMQRLYTFNT-CYBMUJFWSA-N 0 1 288.218 3.729 20 0 CHADMN C[C@@H]1CCC[C@@H](N(C)Cc2nc(-c3cccs3)no2)C1 ZINC000078529297 334135335 /nfs/dbraw/zinc/13/53/35/334135335.db2.gz LSIKMPAEKANARI-VXGBXAGGSA-N 0 1 291.420 3.809 20 0 CHADMN Fc1ccc2nc(-c3ccc(Br)cn3)[nH]c2c1 ZINC000078679510 334138779 /nfs/dbraw/zinc/13/87/79/334138779.db2.gz CBTVRKXDRURFLI-UHFFFAOYSA-N 0 1 292.111 3.527 20 0 CHADMN O=C(CSc1ccccc1)Nc1cccc(Cl)c1O ZINC000078731963 334139984 /nfs/dbraw/zinc/13/99/84/334139984.db2.gz GIEZIZMUIOZBKK-UHFFFAOYSA-N 0 1 293.775 3.776 20 0 CHADMN CCCc1noc(CN[C@@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000548210793 334146497 /nfs/dbraw/zinc/14/64/97/334146497.db2.gz HVCBQWXQAVYXEK-JKSUJKDBSA-N 0 1 299.418 3.838 20 0 CHADMN COc1ncc(CN2CCC[C@H](C(C)C)C2)cc1Cl ZINC000548405928 334154487 /nfs/dbraw/zinc/15/44/87/334154487.db2.gz ZRQPICCZNUOPAM-ZDUSSCGKSA-N 0 1 282.815 3.612 20 0 CHADMN C[C@@H](CN[C@@H](C)c1cc(F)ccc1F)C(F)(F)F ZINC000548485363 334159666 /nfs/dbraw/zinc/15/96/66/334159666.db2.gz KIOPCOCXFAFUMV-YUMQZZPRSA-N 0 1 267.241 3.814 20 0 CHADMN COC[C@H](NC/C=C/c1ccccc1)c1ccc(C)o1 ZINC000080238642 334168129 /nfs/dbraw/zinc/16/81/29/334168129.db2.gz YSNKTTRPJOHYJS-FSNWXROXSA-N 0 1 271.360 3.579 20 0 CHADMN COC(=O)c1sc2ccccc2c1CN1[C@@H](C)C[C@@H]1C ZINC000548754132 334170087 /nfs/dbraw/zinc/17/00/87/334170087.db2.gz TZROMONDXXIQFM-QWRGUYRKSA-N 0 1 289.400 3.671 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1cccc(O)c1OC ZINC000548773440 334173640 /nfs/dbraw/zinc/17/36/40/334173640.db2.gz NMQQWBJNUDBUIE-UHFFFAOYSA-N 0 1 285.387 3.731 20 0 CHADMN CC[C@@]1(C)CN(C[C@H](OC)c2ccc(Cl)cc2)CCO1 ZINC000548932164 334180769 /nfs/dbraw/zinc/18/07/69/334180769.db2.gz SZLJDABOUXZXQI-HOTGVXAUSA-N 0 1 297.826 3.528 20 0 CHADMN CC(C)C[C@@H]1CCN([C@H](C)c2nc(C(C)C)no2)C1 ZINC000245484729 334196807 /nfs/dbraw/zinc/19/68/07/334196807.db2.gz HZLUWSAGYQZVCQ-OLZOCXBDSA-N 0 1 265.401 3.622 20 0 CHADMN Fc1ccc(CNCC2=Cc3ccccc3OC2)c(F)c1 ZINC000549549676 334197485 /nfs/dbraw/zinc/19/74/85/334197485.db2.gz AEYKXQUXASHYMO-UHFFFAOYSA-N 0 1 287.309 3.530 20 0 CHADMN Fc1cccc(CN2CCOC[C@@H](C3CCC3)C2)c1Cl ZINC000549717618 334202499 /nfs/dbraw/zinc/20/24/99/334202499.db2.gz HFZABVHXTSZXCA-AWEZNQCLSA-N 0 1 297.801 3.728 20 0 CHADMN CCc1noc(C)c1CNCc1c(C)cc(C)cc1C ZINC000549841264 334206312 /nfs/dbraw/zinc/20/63/12/334206312.db2.gz GLAVNKXPSOXVAC-UHFFFAOYSA-N 0 1 272.392 3.760 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN1CC[C@H](OC(F)F)C1 ZINC000549849748 334206720 /nfs/dbraw/zinc/20/67/20/334206720.db2.gz BQFVZBHUPDPVOY-LBPRGKRZSA-N 0 1 289.753 3.770 20 0 CHADMN C[C@@H]1CN(Cc2cc(-c3ccc(Cl)cc3)no2)[C@@H]1C ZINC000549923225 334209054 /nfs/dbraw/zinc/20/90/54/334209054.db2.gz CUXLYFDPCOAYRB-GHMZBOCLSA-N 0 1 276.767 3.835 20 0 CHADMN C[C@H]1CN(Cc2cccc3nccn32)[C@H]1c1ccccc1 ZINC000245848260 334221623 /nfs/dbraw/zinc/22/16/23/334221623.db2.gz LUBWCBXZHDMSRO-KBXCAEBGSA-N 0 1 277.371 3.527 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1CC[C@@H](C)[C@H](C)C1 ZINC000245900197 334223347 /nfs/dbraw/zinc/22/33/47/334223347.db2.gz LBMHROULHMFJQL-IJLUTSLNSA-N 0 1 291.420 3.837 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CCC[C@H](C)[C@@H]1C ZINC000247138009 334276551 /nfs/dbraw/zinc/27/65/51/334276551.db2.gz ZPROSPITPQUCDM-GJZGRUSLSA-N 0 1 288.435 3.869 20 0 CHADMN CCC[C@H](C)C(=O)NCCN[C@@H](C)c1ccccc1Cl ZINC000550832947 334229856 /nfs/dbraw/zinc/22/98/56/334229856.db2.gz QYQXXHNRKQRXKL-STQMWFEESA-N 0 1 296.842 3.543 20 0 CHADMN Cc1cccc(C[C@@H](NCC(C)(F)F)C2CC2)c1 ZINC000551256231 334243255 /nfs/dbraw/zinc/24/32/55/334243255.db2.gz XOXWPDUDXBSINZ-CQSZACIVSA-N 0 1 253.336 3.561 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@@H]1CCC[C@@H]1F ZINC000551310135 334246317 /nfs/dbraw/zinc/24/63/17/334246317.db2.gz UVEPPWYMQQFQDY-FPMFFAJLSA-N 0 1 251.345 3.627 20 0 CHADMN C[C@@H](N[C@H]1CCC[C@@H](C)C1)c1nc(C(C)(C)C)no1 ZINC000246278721 334248188 /nfs/dbraw/zinc/24/81/88/334248188.db2.gz NJLQVLXCIUPCLU-UTUOFQBUSA-N 0 1 265.401 3.596 20 0 CHADMN Cc1nc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)cs1 ZINC000246530040 334263522 /nfs/dbraw/zinc/26/35/22/334263522.db2.gz RWOWBBYFEZSYDM-WBMJQRKESA-N 0 1 272.417 3.830 20 0 CHADMN COC[C@@H]1CCN1Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000552084130 334287185 /nfs/dbraw/zinc/28/71/85/334287185.db2.gz QEMGNRKDIZIQRM-AWEZNQCLSA-N 0 1 289.350 3.615 20 0 CHADMN CCS[C@@H](C)c1noc(CN(CC)C[C@@H](C)CC)n1 ZINC000247963865 334292253 /nfs/dbraw/zinc/29/22/53/334292253.db2.gz GOSLGWZMHVAZBW-RYUDHWBXSA-N 0 1 285.457 3.752 20 0 CHADMN CC[C@@H](C)CN(CC)Cc1csc([C@H](C)OC)n1 ZINC000248344397 334298741 /nfs/dbraw/zinc/29/87/41/334298741.db2.gz LNJTVKCHOCXIFZ-NEPJUHHUSA-N 0 1 270.442 3.719 20 0 CHADMN C[C@H](NCc1cc[nH]c1)c1nc(-c2ccccc2)cs1 ZINC000086253276 334306156 /nfs/dbraw/zinc/30/61/56/334306156.db2.gz GRBPBYTXWKJFRA-LBPRGKRZSA-N 0 1 283.400 3.989 20 0 CHADMN CC(C)OCCCN(C)Cc1cc(Cl)ccc1F ZINC000552290612 334314039 /nfs/dbraw/zinc/31/40/39/334314039.db2.gz NWJYJMMSJUFPEB-UHFFFAOYSA-N 0 1 273.779 3.726 20 0 CHADMN COC[C@@H]1CCN1Cc1ccc(-c2cccc(F)c2C)o1 ZINC000552314520 334315971 /nfs/dbraw/zinc/31/59/71/334315971.db2.gz UMRHNZTUBKCGTF-ZDUSSCGKSA-N 0 1 289.350 3.615 20 0 CHADMN C[C@@H]1CCC[C@@H](CN[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000249168860 334329286 /nfs/dbraw/zinc/32/92/86/334329286.db2.gz AGRYMEYJQOFYFI-BFYDXBDKSA-N 0 1 283.419 3.915 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H]1c2ccccc2CC[C@H]1C ZINC000249181913 334329567 /nfs/dbraw/zinc/32/95/67/334329567.db2.gz IOCLDFXJKDVAOY-HACGYAERSA-N 0 1 281.403 3.759 20 0 CHADMN C[C@@H]1CC[C@H](N[C@@H](c2ncc[nH]2)c2ccccc2)C[C@H]1C ZINC000249188611 334329784 /nfs/dbraw/zinc/32/97/84/334329784.db2.gz MLXZNSCYONFJGR-TXCZRRACSA-N 0 1 283.419 3.913 20 0 CHADMN CCC[C@H](C)N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000249414135 334333540 /nfs/dbraw/zinc/33/35/40/334333540.db2.gz YSVZQEYCEVNQJV-SGMGOOAPSA-N 0 1 253.411 3.699 20 0 CHADMN C[C@@H](Cc1ccccc1)CN1CCO[C@@H](c2ccco2)C1 ZINC000249492160 334334719 /nfs/dbraw/zinc/33/47/19/334334719.db2.gz ZWGAIVLGCAOADB-MAUKXSAKSA-N 0 1 285.387 3.532 20 0 CHADMN CC[C@]1(CO)CCCN([C@H](C)c2c(F)cccc2F)C1 ZINC000249563186 334336783 /nfs/dbraw/zinc/33/67/83/334336783.db2.gz MHAHJMOAABKLQW-WBMJQRKESA-N 0 1 283.362 3.510 20 0 CHADMN CCCCCn1cc(CN[C@H](C)c2ccoc2)c(C)n1 ZINC000552578843 334337269 /nfs/dbraw/zinc/33/72/69/334337269.db2.gz IKMWWLVPURWZHF-CYBMUJFWSA-N 0 1 275.396 3.826 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@H]1c2ccccc2C[C@H]1O ZINC000249648227 334338538 /nfs/dbraw/zinc/33/85/38/334338538.db2.gz YCEZFWRONDIXJL-XZOAIXRZSA-N 0 1 299.439 3.717 20 0 CHADMN CCc1nc(CN2CCC[C@H]2[C@H](CC)c2ccccc2)no1 ZINC000250219990 334343266 /nfs/dbraw/zinc/34/32/66/334343266.db2.gz YTWOOWCVFMAIRP-CVEARBPZSA-N 0 1 299.418 3.790 20 0 CHADMN COc1cc(-c2nc3ccc(C)c(C)c3[nH]2)ccc1O ZINC000090065909 334356752 /nfs/dbraw/zinc/35/67/52/334356752.db2.gz SMENRMQTXWLVQH-UHFFFAOYSA-N 0 1 268.316 3.561 20 0 CHADMN CC[C@H](N[C@@H](C)c1c(F)cccc1F)[C@@H]1CCCO1 ZINC000090859474 334368723 /nfs/dbraw/zinc/36/87/23/334368723.db2.gz WWZHUTIVRPEUHE-BPNCWPANSA-N 0 1 269.335 3.573 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1nc(C)c2ccccc2n1 ZINC000091098307 334372036 /nfs/dbraw/zinc/37/20/36/334372036.db2.gz STYJJYGRMNEJOV-ZDUSSCGKSA-N 0 1 289.448 3.512 20 0 CHADMN C[C@H]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)[C@H]1C ZINC000252649189 334384133 /nfs/dbraw/zinc/38/41/33/334384133.db2.gz RVVHRGWALYPBIM-QWRGUYRKSA-N 0 1 291.782 3.620 20 0 CHADMN CCN(CC(C)C)C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000553771685 334398248 /nfs/dbraw/zinc/39/82/48/334398248.db2.gz FPGFOHYTELKKSH-KRWDZBQOSA-N 0 1 290.451 3.574 20 0 CHADMN CCCc1ccc(CN[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000553801167 334399459 /nfs/dbraw/zinc/39/94/59/334399459.db2.gz KKRVHHWPWPQTIY-SFHVURJKSA-N 0 1 287.378 3.601 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@@H](C)c3ccccc3F)[nH]c2c1 ZINC000553823188 334399892 /nfs/dbraw/zinc/39/98/92/334399892.db2.gz JTUGUVOALYTFLY-NSHDSACASA-N 0 1 297.333 3.753 20 0 CHADMN COc1cc(C)ccc1CN[C@H](C)c1ccccc1N(C)C ZINC000093947030 334484858 /nfs/dbraw/zinc/48/48/58/334484858.db2.gz SWSKTONVUQGNHQ-OAHLLOKOSA-N 0 1 298.430 3.920 20 0 CHADMN CCc1ccc(CN[C@@H]2c3ccccc3O[C@@H]2C)cc1 ZINC000564680242 334516249 /nfs/dbraw/zinc/51/62/49/334516249.db2.gz TWAVLBXKCUSSLJ-ACJLOTCBSA-N 0 1 267.372 3.861 20 0 CHADMN Cc1ccc(CCCNC2(C(F)F)CCCCC2)cn1 ZINC000566588797 334656810 /nfs/dbraw/zinc/65/68/10/334656810.db2.gz XPCIWZSZVNDYND-UHFFFAOYSA-N 0 1 282.378 3.880 20 0 CHADMN CCN(C(=O)c1ccc(O)c(Cl)c1)[C@H](C)C(C)C ZINC000567178163 334688040 /nfs/dbraw/zinc/68/80/40/334688040.db2.gz YYIQTCPFFSOVTE-SNVBAGLBSA-N 0 1 269.772 3.552 20 0 CHADMN CCCOc1ncccc1CN[C@H]1CCc2c1cccc2C ZINC000154688890 334702103 /nfs/dbraw/zinc/70/21/03/334702103.db2.gz OUOXFNWSZDGWNC-SFHVURJKSA-N 0 1 296.414 3.956 20 0 CHADMN CCOc1cc(Cl)ccc1CN[C@H](C)c1cccnc1 ZINC000155170971 334715045 /nfs/dbraw/zinc/71/50/45/334715045.db2.gz ZGZLDZLDAZUTSH-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN FC(F)(F)c1csc(CN(CC2CC2)CC2CC2)n1 ZINC000157416497 334770028 /nfs/dbraw/zinc/77/00/28/334770028.db2.gz KOTKFAQYLWWQPC-UHFFFAOYSA-N 0 1 290.354 3.784 20 0 CHADMN Cc1cnccc1CNC1(c2ccc(Cl)cc2)CC1 ZINC000568023907 334785480 /nfs/dbraw/zinc/78/54/80/334785480.db2.gz KWJINXNMMMKFLF-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN CCc1cccnc1[C@H](C)NC1(c2cccc(OC)c2)CC1 ZINC000569249363 334863684 /nfs/dbraw/zinc/86/36/84/334863684.db2.gz HULILYVUZMIKLY-AWEZNQCLSA-N 0 1 296.414 3.993 20 0 CHADMN c1nc(C2CC2)sc1CN1CC2(C1)CCCCC2 ZINC000572938065 334892719 /nfs/dbraw/zinc/89/27/19/334892719.db2.gz LBXNYOURRLDWAU-UHFFFAOYSA-N 0 1 262.422 3.787 20 0 CHADMN CCc1nc(CN[C@H]2C[C@@H](OCC(C)C)C2(C)C)cs1 ZINC000336890694 334920296 /nfs/dbraw/zinc/92/02/96/334920296.db2.gz OBCVZCMDMLIJFP-UONOGXRCSA-N 0 1 296.480 3.635 20 0 CHADMN CCc1cnc(CN(C)CCCc2ccccc2)s1 ZINC000175511755 335187078 /nfs/dbraw/zinc/18/70/78/335187078.db2.gz KCFPMGXXDLHRKJ-UHFFFAOYSA-N 0 1 274.433 3.770 20 0 CHADMN CC(C)[C@H]1CCCC[N@H+]1Cc1cncc(Br)c1 ZINC000343518873 335206625 /nfs/dbraw/zinc/20/66/25/335206625.db2.gz BXIRJBLTEPLFBY-CQSZACIVSA-N 0 1 297.240 3.855 20 0 CHADMN CC(C)[C@H]1CCCCN1Cc1cncc(Br)c1 ZINC000343518873 335206627 /nfs/dbraw/zinc/20/66/27/335206627.db2.gz BXIRJBLTEPLFBY-CQSZACIVSA-N 0 1 297.240 3.855 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@H]1C[C@@H]1C1CC1 ZINC000175919828 335217811 /nfs/dbraw/zinc/21/78/11/335217811.db2.gz GYSDIDYMHZETEQ-KGLIPLIRSA-N 0 1 295.386 3.815 20 0 CHADMN Fc1ccc(-n2ccc(CN3CC[C@H](CC4CC4)C3)n2)cc1 ZINC000576652473 335231403 /nfs/dbraw/zinc/23/14/03/335231403.db2.gz JHSXJNBDCHDUKH-OAHLLOKOSA-N 0 1 299.393 3.633 20 0 CHADMN CCCN(Cc1nc(C(C)(C)C)cs1)C1CC1 ZINC000176099720 335238092 /nfs/dbraw/zinc/23/80/92/335238092.db2.gz LQNWLFLFXCKVNF-UHFFFAOYSA-N 0 1 252.427 3.815 20 0 CHADMN Cc1cc([C@@H](C)[N@H+]2CCC[C@H]2c2ccco2)oc1C(=O)[O-] ZINC000576710129 335238473 /nfs/dbraw/zinc/23/84/73/335238473.db2.gz AZZKWDQYHGHPMN-NEPJUHHUSA-N 0 1 289.331 3.777 20 0 CHADMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1cc(C(=O)[O-])c(C)o1)C1CC1 ZINC000576761417 335244958 /nfs/dbraw/zinc/24/49/58/335244958.db2.gz LMRODRAOAMOJOX-MNOVXSKESA-N 0 1 279.380 3.685 20 0 CHADMN Clc1ccc(CNC[C@@H]2CSc3ccccc3O2)o1 ZINC000576874186 335258551 /nfs/dbraw/zinc/25/85/51/335258551.db2.gz JLMIILKUVQMFQS-LLVKDONJSA-N 0 1 295.791 3.576 20 0 CHADMN Cc1csc(CNCc2cccc3c2OCCCO3)c1 ZINC000344619867 335260197 /nfs/dbraw/zinc/26/01/97/335260197.db2.gz XVASOIYPIZXTFP-UHFFFAOYSA-N 0 1 289.400 3.508 20 0 CHADMN Cc1csc(CNCc2ccc(Br)o2)c1 ZINC000344616946 335260333 /nfs/dbraw/zinc/26/03/33/335260333.db2.gz HJGJWDKRCPLANU-UHFFFAOYSA-N 0 1 286.194 3.702 20 0 CHADMN Cc1ccccc1CN[C@H]1c2ccccc2O[C@@H]1C ZINC000576903050 335262445 /nfs/dbraw/zinc/26/24/45/335262445.db2.gz QLXVWTNDTQNQNM-CXAGYDPISA-N 0 1 253.345 3.607 20 0 CHADMN C[C@H](CCN(C)Cc1cn2c(n1)CCCC2)c1ccccc1 ZINC000576953341 335268843 /nfs/dbraw/zinc/26/88/43/335268843.db2.gz VIADRUSRVZYPCV-MRXNPFEDSA-N 0 1 297.446 3.845 20 0 CHADMN C[N@@H+](CCCC1CCCC1)Cc1ccc(C(=O)[O-])cc1 ZINC000580560923 335281236 /nfs/dbraw/zinc/28/12/36/335281236.db2.gz DJBGLBVQRVPFSY-UHFFFAOYSA-N 0 1 275.392 3.787 20 0 CHADMN CC[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1ccc(C)cc1 ZINC000345354335 335316813 /nfs/dbraw/zinc/31/68/13/335316813.db2.gz KUNDQQXITYGMPC-BPUTZDHNSA-N 0 1 269.392 3.938 20 0 CHADMN Cc1cc(CN2C[C@@H](C)OC3(CCC3)C2)c2ccccc2n1 ZINC000577278075 335333955 /nfs/dbraw/zinc/33/39/55/335333955.db2.gz ODJYORQESMRXBH-OAHLLOKOSA-N 0 1 296.414 3.687 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000577381451 335345663 /nfs/dbraw/zinc/34/56/63/335345663.db2.gz XZQONXXMNNIBLX-DGCLKSJQSA-N 0 1 281.421 3.847 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1cn2cc(C)ccc2n1 ZINC000177029651 335354911 /nfs/dbraw/zinc/35/49/11/335354911.db2.gz LBKHVTGADJSMMP-AWEZNQCLSA-N 0 1 291.464 3.606 20 0 CHADMN CC(=O)[C@H](Sc1nc2ccc(C)cc2[nH]1)C(C)C ZINC000577728609 335393308 /nfs/dbraw/zinc/39/33/08/335393308.db2.gz LRWVAVFGSCEVEP-CYBMUJFWSA-N 0 1 262.378 3.577 20 0 CHADMN C[C@H](NCc1cccc(CO)c1)c1ccc2ccccc2n1 ZINC000177842864 335403722 /nfs/dbraw/zinc/40/37/22/335403722.db2.gz KLOUWCVZBIAMJU-AWEZNQCLSA-N 0 1 292.382 3.578 20 0 CHADMN C[C@@H](NCc1ccnc(N2CCCCC2)c1)c1ccoc1 ZINC000178172170 335420470 /nfs/dbraw/zinc/42/04/70/335420470.db2.gz QMXIYKHVTBWENP-CQSZACIVSA-N 0 1 285.391 3.516 20 0 CHADMN C[C@@H](NCc1cccc(OC(F)F)c1)c1ccoc1 ZINC000178504073 335434912 /nfs/dbraw/zinc/43/49/12/335434912.db2.gz REOTWENOZTUOCG-SNVBAGLBSA-N 0 1 267.275 3.732 20 0 CHADMN CC(C)Cn1ccnc1NCc1coc(-c2ccccc2)n1 ZINC000579035035 335703227 /nfs/dbraw/zinc/70/32/27/335703227.db2.gz PTOPKCSBPGIGTA-UHFFFAOYSA-N 0 1 296.374 3.806 20 0 CHADMN COCCCOc1cccc(CN[C@H](C)c2ccoc2)c1 ZINC000181602026 335773320 /nfs/dbraw/zinc/77/33/20/335773320.db2.gz YGGYWQCTWATOAU-CQSZACIVSA-N 0 1 289.375 3.546 20 0 CHADMN CCO[C@H]1C[C@H](NCc2nc(C(C)C)cs2)C1(C)C ZINC000181910605 335790711 /nfs/dbraw/zinc/79/07/11/335790711.db2.gz VLBFLAYNQAJBGA-STQMWFEESA-N 0 1 282.453 3.560 20 0 CHADMN CC[C@@H](NCc1csc(C2CCCC2)n1)[C@@H]1CCCO1 ZINC000182292858 335808568 /nfs/dbraw/zinc/80/85/68/335808568.db2.gz OZCAXKWKADCKKB-CABCVRRESA-N 0 1 294.464 3.848 20 0 CHADMN CCc1nc([C@@H](C)NCCOc2cccc(C)c2)cs1 ZINC000184725681 335932080 /nfs/dbraw/zinc/93/20/80/335932080.db2.gz XEDVSQCRUMVPFS-CYBMUJFWSA-N 0 1 290.432 3.744 20 0 CHADMN CCCC[C@@H](N[C@@H](C)c1nc(C2CC2)no1)C1CCC1 ZINC000184868556 335937680 /nfs/dbraw/zinc/93/76/80/335937680.db2.gz PGKRNEVUXQJNCL-SMDDNHRTSA-N 0 1 277.412 3.957 20 0 CHADMN C[C@H](NCCC(C)(C)C)c1nc(-c2cccc(F)c2)no1 ZINC000185087785 335945711 /nfs/dbraw/zinc/94/57/11/335945711.db2.gz WOKNGUUOBRKCOT-NSHDSACASA-N 0 1 291.370 3.963 20 0 CHADMN CC(C)c1noc(CNC2(Cc3ccccc3)CCCC2)n1 ZINC000185827171 335957694 /nfs/dbraw/zinc/95/76/94/335957694.db2.gz KPIPTSBNOVNAII-UHFFFAOYSA-N 0 1 299.418 3.838 20 0 CHADMN C[C@H](N[C@H]1CCC1(C)C)c1nc(-c2ccccc2)no1 ZINC000581182727 336020603 /nfs/dbraw/zinc/02/06/03/336020603.db2.gz NTRZGLVFEAJRQN-AAEUAGOBSA-N 0 1 271.364 3.576 20 0 CHADMN CCC[C@H]1[C@H](C)CCC[N@H+]1CCCCCC(=O)[O-] ZINC000581195300 336022828 /nfs/dbraw/zinc/02/28/28/336022828.db2.gz AVZJNCSGMSGXEN-KGLIPLIRSA-N 0 1 255.402 3.532 20 0 CHADMN CC[C@@H](C)CN(C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000581259253 336033653 /nfs/dbraw/zinc/03/36/53/336033653.db2.gz DJSDBFDTGLGTFT-SECBINFHSA-N 0 1 289.297 3.529 20 0 CHADMN CC1(C)CCC(CN[C@@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000195084340 336044481 /nfs/dbraw/zinc/04/44/81/336044481.db2.gz CSDDWNLKNQRORH-MRXNPFEDSA-N 0 1 298.434 3.700 20 0 CHADMN Cc1cc(CN[C@@H]2CSc3ccccc32)cs1 ZINC000381105273 336050132 /nfs/dbraw/zinc/05/01/32/336050132.db2.gz AZKLWNFGSTYGNV-CYBMUJFWSA-N 0 1 261.415 3.993 20 0 CHADMN Cc1cc(CNCc2cnn(-c3ccccc3)c2)cs1 ZINC000381275058 336057619 /nfs/dbraw/zinc/05/76/19/336057619.db2.gz JACRWKCVHMENHE-UHFFFAOYSA-N 0 1 283.400 3.532 20 0 CHADMN Cc1cc([C@H](C)NCc2scnc2C)cs1 ZINC000381337615 336059791 /nfs/dbraw/zinc/05/97/91/336059791.db2.gz DIEJFYKAQIXROI-VIFPVBQESA-N 0 1 252.408 3.672 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1Cl ZINC000381920517 336077271 /nfs/dbraw/zinc/07/72/71/336077271.db2.gz OESUNKUNDAQCDM-BXUZGUMPSA-N 0 1 293.794 3.803 20 0 CHADMN COC(=O)c1cccc(CN2CCCCCC2)c1Cl ZINC000382215527 336084703 /nfs/dbraw/zinc/08/47/03/336084703.db2.gz TVAAWEKHJNKHSX-UHFFFAOYSA-N 0 1 281.783 3.503 20 0 CHADMN Cc1cccc(CCN(C)[C@@H](C)c2cc(F)ccc2F)n1 ZINC000581486265 336087509 /nfs/dbraw/zinc/08/75/09/336087509.db2.gz COFJFWJMMOBIFH-ZDUSSCGKSA-N 0 1 290.357 3.904 20 0 CHADMN CCc1nc(C)c(CN[C@@H](C)c2ccc(CC)cc2)o1 ZINC000383799183 336117833 /nfs/dbraw/zinc/11/78/33/336117833.db2.gz YKUFVMXTXJXLNO-LBPRGKRZSA-N 0 1 272.392 3.959 20 0 CHADMN CCn1ccnc1CN[C@@H](C)c1cc2c(s1)CCCC2 ZINC000385420463 336146315 /nfs/dbraw/zinc/14/63/15/336146315.db2.gz ARJHTCQNQXXMLO-LBPRGKRZSA-N 0 1 289.448 3.694 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2occc2C(=O)[O-])c1C ZINC000581829609 336148965 /nfs/dbraw/zinc/14/89/65/336148965.db2.gz CGBVGJSZNIKNPK-INIZCTEOSA-N 0 1 299.370 3.932 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(C2CCCCC2)no1 ZINC000386448608 336174859 /nfs/dbraw/zinc/17/48/59/336174859.db2.gz LMLKZPQXPWQELG-GFCCVEGCSA-N 0 1 265.401 3.814 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](CC)Cc1ccccc1Cl ZINC000581949210 336175115 /nfs/dbraw/zinc/17/51/15/336175115.db2.gz SSTXBACWGPMUPF-AWEZNQCLSA-N 0 1 283.799 3.805 20 0 CHADMN Brc1cc(CN2CCC[C@@H]2C2CCC2)ccn1 ZINC000293093095 518206680 /nfs/dbraw/zinc/20/66/80/518206680.db2.gz NFWSIYFDPKDIQW-CYBMUJFWSA-N 0 1 295.224 3.609 20 0 CHADMN CC1CCN(Cc2csc(-c3ccoc3)n2)CC1 ZINC000108355918 521025374 /nfs/dbraw/zinc/02/53/74/521025374.db2.gz UFNQAJUJCNNXAA-UHFFFAOYSA-N 0 1 262.378 3.635 20 0 CHADMN CCCC[C@H](CC)c1nc([C@@H](N)CC(C)C)no1 ZINC000339394816 521182095 /nfs/dbraw/zinc/18/20/95/521182095.db2.gz PANUTHCVQAWWGU-RYUDHWBXSA-N 0 1 253.390 3.799 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2ncc(C3CC3)o2)C1 ZINC000340690452 521310274 /nfs/dbraw/zinc/31/02/74/521310274.db2.gz FFIBMYFQYDKENW-MRXNPFEDSA-N 0 1 262.397 3.954 20 0 CHADMN Cc1ccc(CN(CCC[C@H](C)O)Cc2ccco2)s1 ZINC000354875198 533883439 /nfs/dbraw/zinc/88/34/39/533883439.db2.gz VVVFCNZDWRDZRO-ZDUSSCGKSA-N 0 1 293.432 3.813 20 0 CHADMN CS[C@@H](C(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000352099586 533884656 /nfs/dbraw/zinc/88/46/56/533884656.db2.gz GMQVPHKUDLQPBX-OAHLLOKOSA-N 0 1 297.383 3.606 20 0 CHADMN C[C@H](NCc1cccc(O)c1)c1nccc2ccccc21 ZINC000353250467 533929048 /nfs/dbraw/zinc/92/90/48/533929048.db2.gz FZFYZJGZLUQGQV-ZDUSSCGKSA-N 0 1 278.355 3.791 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)o1 ZINC000353267677 533929442 /nfs/dbraw/zinc/92/94/42/533929442.db2.gz NOMPGFCZCGHHQP-HNNXBMFYSA-N 0 1 285.343 3.654 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1CCCC[C@H]1C ZINC000332643624 534128383 /nfs/dbraw/zinc/12/83/83/534128383.db2.gz MASMQNJIYOJBLE-ZWNOBZJWSA-N 0 1 271.364 3.636 20 0 CHADMN C[C@H](c1cccnc1)N(C)Cc1ccc2ccccc2n1 ZINC000065501900 518183982 /nfs/dbraw/zinc/18/39/82/518183982.db2.gz NIABMQCJDKJBPC-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN Cc1ccc([C@H](N)C(=O)Nc2cccc3c2CCCC3)cc1 ZINC000262571218 518189822 /nfs/dbraw/zinc/18/98/22/518189822.db2.gz XLYSBFZBBHGRCE-SFHVURJKSA-N 0 1 294.398 3.512 20 0 CHADMN Cc1nccc(N[C@@H](C)c2nccs2)c1Cl ZINC000309382827 518193417 /nfs/dbraw/zinc/19/34/17/518193417.db2.gz RBZFVXSVYHHYNC-QMMMGPOBSA-N 0 1 253.758 3.673 20 0 CHADMN Cc1oc2ccccc2c1CNCc1cncc(F)c1 ZINC000494408061 518194389 /nfs/dbraw/zinc/19/43/89/518194389.db2.gz VWPOTXLBCNGZEJ-UHFFFAOYSA-N 0 1 270.307 3.565 20 0 CHADMN Fc1cc(Br)ccc1CN[C@@H]1CCC[C@@H]1F ZINC000378709205 518196007 /nfs/dbraw/zinc/19/60/07/518196007.db2.gz RUFHNSISEDVIDG-CMPLNLGQSA-N 0 1 290.151 3.568 20 0 CHADMN Brc1ccc2c(c1)CC[C@@H]2NCc1ccco1 ZINC000040226040 518219097 /nfs/dbraw/zinc/21/90/97/518219097.db2.gz BFCWJQQXYWGGFX-AWEZNQCLSA-N 0 1 292.176 3.819 20 0 CHADMN FC(F)(F)CCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000353536072 534382940 /nfs/dbraw/zinc/38/29/40/534382940.db2.gz XEBVUIRWTKKVAK-NSHDSACASA-N 0 1 275.318 3.573 20 0 CHADMN FC(F)(F)CCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000353536070 534383504 /nfs/dbraw/zinc/38/35/04/534383504.db2.gz XEBVUIRWTKKVAK-LLVKDONJSA-N 0 1 275.318 3.573 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H](C)Cc2cccc(F)c2)n1 ZINC000339392905 519235730 /nfs/dbraw/zinc/23/57/30/519235730.db2.gz GGDZXHNYNNWPSX-SMDDNHRTSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H](C)OC2CCCCCC2)n1 ZINC000339365507 519237570 /nfs/dbraw/zinc/23/75/70/519237570.db2.gz WHININLHOWXKEF-GXTWGEPZSA-N 0 1 295.427 3.916 20 0 CHADMN Cc1ccncc1CN[C@@H]1CC(C)(C)Cc2occc21 ZINC000334669920 534417221 /nfs/dbraw/zinc/41/72/21/534417221.db2.gz XASSBPMWOQTOJW-OAHLLOKOSA-N 0 1 270.376 3.786 20 0 CHADMN C=Cn1cc(CN[C@@]2(c3ccc(Cl)cc3)C[C@H]2C)cn1 ZINC000337257155 519328673 /nfs/dbraw/zinc/32/86/73/519328673.db2.gz NSYDVBAJMJMIAD-WBMJQRKESA-N 0 1 287.794 3.662 20 0 CHADMN Cc1ccncc1CN[C@@H]1CSCCc2ccccc21 ZINC000334679722 534420116 /nfs/dbraw/zinc/42/01/16/534420116.db2.gz YWCSDFYTASLWIY-QGZVFWFLSA-N 0 1 284.428 3.510 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2ccc(F)cc2Cl)n1 ZINC000339385362 519372671 /nfs/dbraw/zinc/37/26/71/519372671.db2.gz PGIYVVUIWHTSSU-NSHDSACASA-N 0 1 283.734 3.575 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2csc(C(C)(C)C)n2)n1 ZINC000339392289 519373826 /nfs/dbraw/zinc/37/38/26/519373826.db2.gz NAUSLNFVKREZKD-VIFPVBQESA-N 0 1 294.424 3.537 20 0 CHADMN CC(C)C[C@H](N)c1noc(CCc2ccc(Cl)cc2)n1 ZINC000339386566 519375929 /nfs/dbraw/zinc/37/59/29/519375929.db2.gz YGNLAUFVBWYLSY-ZDUSSCGKSA-N 0 1 293.798 3.554 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@]2(C)CCc3ccccc3C2)n1 ZINC000339386386 519382043 /nfs/dbraw/zinc/38/20/43/519382043.db2.gz VTLKHXJZWKFBEN-MAUKXSAKSA-N 0 1 299.418 3.562 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H]1CCOc2c(C)cccc21 ZINC000336064172 534431292 /nfs/dbraw/zinc/43/12/92/534431292.db2.gz AVYNQTHSRKTDHM-WMLDXEAASA-N 0 1 282.387 3.873 20 0 CHADMN CC(C)CC[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263580914 519686025 /nfs/dbraw/zinc/68/60/25/519686025.db2.gz WMJSPRKCZUVDOI-INIZCTEOSA-N 0 1 275.392 3.785 20 0 CHADMN Cc1ccoc1CN[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000344619253 534446750 /nfs/dbraw/zinc/44/67/50/534446750.db2.gz WLNKOXLKGAEVTD-AWEZNQCLSA-N 0 1 281.359 3.625 20 0 CHADMN CC(C)COc1ccc([C@H](C)NCc2ccccn2)cc1 ZINC000020091652 519763821 /nfs/dbraw/zinc/76/38/21/519763821.db2.gz ZFISDUCADMYGHQ-HNNXBMFYSA-N 0 1 284.403 3.967 20 0 CHADMN CC(C)Oc1ccc(CSc2cn[nH]n2)cc1Cl ZINC000275125514 519780025 /nfs/dbraw/zinc/78/00/25/519780025.db2.gz WUKHHTUCSWYZDQ-UHFFFAOYSA-N 0 1 283.784 3.538 20 0 CHADMN CCC1(CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)CCC1 ZINC000275875137 519843221 /nfs/dbraw/zinc/84/32/21/519843221.db2.gz ONTHSMDQESEFBQ-HNNXBMFYSA-N 0 1 287.382 3.808 20 0 CHADMN Cc1noc([C@@H]2CCCN2CC[C@@H]2CCC[C@H](C)C2)n1 ZINC000353574834 534452502 /nfs/dbraw/zinc/45/25/02/534452502.db2.gz MZOIGXSYTRCCSJ-QEJZJMRPSA-N 0 1 277.412 3.731 20 0 CHADMN CC(C)c1nnc(CN[C@@H](C)[C@H](C)c2ccccc2)s1 ZINC000269132285 519887561 /nfs/dbraw/zinc/88/75/61/519887561.db2.gz ZRYSZUBDIOTGHL-STQMWFEESA-N 0 1 289.448 3.943 20 0 CHADMN CC(C)n1cc(CNCc2ccc3sccc3c2)cn1 ZINC000289782421 519955018 /nfs/dbraw/zinc/95/50/18/519955018.db2.gz JOWMPEMTWKKINA-UHFFFAOYSA-N 0 1 285.416 3.969 20 0 CHADMN CC(F)(F)c1ccc(CNCc2cncc(F)c2)cc1 ZINC000339419715 520169585 /nfs/dbraw/zinc/16/95/85/520169585.db2.gz XEUKJJWVCLFHAO-UHFFFAOYSA-N 0 1 280.293 3.622 20 0 CHADMN CCOCc1ccccc1CN[C@H](C)c1cc(C)ccn1 ZINC000285674708 520214160 /nfs/dbraw/zinc/21/41/60/520214160.db2.gz NPYZBSQYBTXNAR-OAHLLOKOSA-N 0 1 284.403 3.777 20 0 CHADMN CCOCc1ccccc1CNCc1cnc(CC)s1 ZINC000037924686 520214377 /nfs/dbraw/zinc/21/43/77/520214377.db2.gz PPMKWBPYEOGIOE-UHFFFAOYSA-N 0 1 290.432 3.532 20 0 CHADMN CC1(C)CCCC[C@H]1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000279444436 520314803 /nfs/dbraw/zinc/31/48/03/520314803.db2.gz LTCTYAQWJDTLSH-ZDUSSCGKSA-N 0 1 298.390 3.627 20 0 CHADMN CCCOc1ccc(CNCc2ccc(F)nc2C)cc1 ZINC000278433883 520368033 /nfs/dbraw/zinc/36/80/33/520368033.db2.gz SNUODPIOFDUWDS-UHFFFAOYSA-N 0 1 288.366 3.608 20 0 CHADMN CCCCN(C)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000042737514 520421308 /nfs/dbraw/zinc/42/13/08/520421308.db2.gz WZQWSCJPQQSTJM-UHFFFAOYSA-N 0 1 274.364 3.582 20 0 CHADMN CC1(C)CN(CCCc2c(F)cccc2Cl)CC[C@H]1O ZINC000278440465 520463846 /nfs/dbraw/zinc/46/38/46/520463846.db2.gz VTKRCDLZNMPIGR-OAHLLOKOSA-N 0 1 299.817 3.505 20 0 CHADMN CCO[C@H](CNCc1csc(CC)n1)c1ccccc1 ZINC000278104270 520520739 /nfs/dbraw/zinc/52/07/39/520520739.db2.gz ALRAOMYYGUIMSS-OAHLLOKOSA-N 0 1 290.432 3.573 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@H]1CCCc3c[nH]nc31)CCC2 ZINC000344290309 534505284 /nfs/dbraw/zinc/50/52/84/534505284.db2.gz BTOQBLUYCCFWRN-CVEARBPZSA-N 0 1 285.366 3.593 20 0 CHADMN CCOc1ccc(-c2nc(CN(CC)CC)co2)cc1 ZINC000127480402 520816117 /nfs/dbraw/zinc/81/61/17/520816117.db2.gz MOVURRVHNWSRPX-UHFFFAOYSA-N 0 1 274.364 3.582 20 0 CHADMN CCN(CC)[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000076673956 520859709 /nfs/dbraw/zinc/85/97/09/520859709.db2.gz ZTDCVNWKQIXTRS-LLVKDONJSA-N 0 1 277.343 3.587 20 0 CHADMN CC[N@@H+](CCCCC(=O)[O-])Cc1ccc2ccccc2c1 ZINC000262250725 521001283 /nfs/dbraw/zinc/00/12/83/521001283.db2.gz PNOGXKZOUMNZLS-UHFFFAOYSA-N 0 1 285.387 3.917 20 0 CHADMN CCOc1ccc(CNCc2ccc(F)cc2F)cc1 ZINC000049832323 521005314 /nfs/dbraw/zinc/00/53/14/521005314.db2.gz IGQSALJJDJDFIW-UHFFFAOYSA-N 0 1 277.314 3.653 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2cccnc2)cc1Cl ZINC000340621661 521008635 /nfs/dbraw/zinc/00/86/35/521008635.db2.gz NJXGVKNDMYXODV-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN CCC[C@H](NC(=O)c1ccc2cncn2c1)c1ccccc1 ZINC000339885075 521144325 /nfs/dbraw/zinc/14/43/25/521144325.db2.gz KRLTXVSEZCLCKE-KRWDZBQOSA-N 0 1 293.370 3.606 20 0 CHADMN CCC[C@H](NCc1ncccc1N(C)C)c1ccccc1 ZINC000289745239 521166371 /nfs/dbraw/zinc/16/63/71/521166371.db2.gz KVPUSBZNKJQVNN-INIZCTEOSA-N 0 1 283.419 3.779 20 0 CHADMN CCC[C@H](N[C@@H](C)c1cc(C)n(C)n1)c1ccccc1 ZINC000282414416 521169655 /nfs/dbraw/zinc/16/96/55/521169655.db2.gz YISUFUVVICDNJE-HOCLYGCPSA-N 0 1 271.408 3.921 20 0 CHADMN CCC[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccsc1 ZINC000276927343 521177139 /nfs/dbraw/zinc/17/71/39/521177139.db2.gz NLXAHMFDNGZSLT-KBPBESRZSA-N 0 1 275.421 3.980 20 0 CHADMN CCN(Cc1ccc(F)nc1C)[C@@H](C)c1cccc(O)c1 ZINC000278406775 521316630 /nfs/dbraw/zinc/31/66/30/521316630.db2.gz GPBHQGRAZYWIQB-ZDUSSCGKSA-N 0 1 288.366 3.818 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2ccccc2OC)c1 ZINC000037678241 521373269 /nfs/dbraw/zinc/37/32/69/521373269.db2.gz KKWGRQGPJATNST-CQSZACIVSA-N 0 1 285.387 3.945 20 0 CHADMN CCN(Cc1ccnc(Cl)c1Cl)CC1CC1 ZINC000290348309 521412253 /nfs/dbraw/zinc/41/22/53/521412253.db2.gz FGRJUBWBBSDJTB-UHFFFAOYSA-N 0 1 259.180 3.620 20 0 CHADMN CCC(CC)N(CC)C(=O)c1cccc2[nH]c(C)nc21 ZINC000292145730 521549828 /nfs/dbraw/zinc/54/98/28/521549828.db2.gz MPVLZQWSNBEKEB-UHFFFAOYSA-N 0 1 273.380 3.522 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])[C@@H](C)c1cc(Cl)ccc1Cl ZINC000086775974 521562069 /nfs/dbraw/zinc/56/20/69/521562069.db2.gz RYCBHEJWSYBYBE-VIFPVBQESA-N 0 1 290.190 3.851 20 0 CHADMN CCOc1ccccc1[C@@H](CC)NCc1cncc(F)c1 ZINC000275131605 521576980 /nfs/dbraw/zinc/57/69/80/521576980.db2.gz BXIQEMPZBWMXIC-MRXNPFEDSA-N 0 1 288.366 3.860 20 0 CHADMN CCOc1ncccc1CN[C@H](C)c1ccc2c(c1)CCC2 ZINC000151185366 521621895 /nfs/dbraw/zinc/62/18/95/521621895.db2.gz HMSMYOLIRZLWKT-CQSZACIVSA-N 0 1 296.414 3.820 20 0 CHADMN CCOC1(C)CCN(Cc2cc(Cl)cs2)CC1 ZINC000292844526 521635241 /nfs/dbraw/zinc/63/52/41/521635241.db2.gz SNGQSFIHPYCJSB-UHFFFAOYSA-N 0 1 273.829 3.793 20 0 CHADMN CCCN(CCc1ccccn1)Cc1csc(CC)n1 ZINC000289936550 521672748 /nfs/dbraw/zinc/67/27/48/521672748.db2.gz WVZDXIBEYAXUIV-UHFFFAOYSA-N 0 1 289.448 3.555 20 0 CHADMN CCCN(Cc1cnc[nH]1)Cc1c(F)cccc1Cl ZINC000280523086 521680474 /nfs/dbraw/zinc/68/04/74/521680474.db2.gz RFEWJWWHRFNITQ-UHFFFAOYSA-N 0 1 281.762 3.614 20 0 CHADMN CCSCCN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000280225590 521708906 /nfs/dbraw/zinc/70/89/06/521708906.db2.gz VVXGJLCCPVNCJG-KRWDZBQOSA-N 0 1 286.444 3.822 20 0 CHADMN CCS[C@@H](C)c1noc(CN[C@H]2[C@H](C)CCC[C@@H]2C)n1 ZINC000245864270 521721854 /nfs/dbraw/zinc/72/18/54/521721854.db2.gz JLQGXXUSHGZDCX-KZVDOYCCSA-N 0 1 297.468 3.798 20 0 CHADMN CCS[C@H]1CC[C@@H](N(C)Cc2ncc(C3CC3)o2)C1 ZINC000340689908 521732479 /nfs/dbraw/zinc/73/24/79/521732479.db2.gz BRNTUSSNVFHSCW-OLZOCXBDSA-N 0 1 280.437 3.658 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1ncnn1-c1ccccc1)C1CC1 ZINC000337142811 521805103 /nfs/dbraw/zinc/80/51/03/521805103.db2.gz UNPOCFPEMVVYLV-LSDHHAIUSA-N 0 1 298.434 3.666 20 0 CHADMN COc1c(O)cccc1CN[C@@H]1CCCc2ccc(C)cc21 ZINC000292761180 521882818 /nfs/dbraw/zinc/88/28/18/521882818.db2.gz JNOOZGHEGVOZNI-QGZVFWFLSA-N 0 1 297.398 3.876 20 0 CHADMN Cc1nc([C@H](C)N[C@H]2CCCC(F)(F)C2)cs1 ZINC000334885596 534603189 /nfs/dbraw/zinc/60/31/89/534603189.db2.gz HQRDVFRDGRXFMT-WPRPVWTQSA-N 0 1 260.353 3.680 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1Cc1csc(NC(C)=O)n1 ZINC000265814064 522009511 /nfs/dbraw/zinc/00/95/11/522009511.db2.gz JWOWBWAUMGBZET-SMDDNHRTSA-N 0 1 295.452 3.502 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2ccsc2C)n[nH]1 ZINC000339373233 522056606 /nfs/dbraw/zinc/05/66/06/522056606.db2.gz LHWUSTDSXDMLJP-UWVGGRQHSA-N 0 1 278.425 3.539 20 0 CHADMN CCc1nc(C)c(CN[C@@H](C)c2ccc(OC)c(C)c2)o1 ZINC000291926982 522203849 /nfs/dbraw/zinc/20/38/49/522203849.db2.gz OKHAIMWTZBJKBF-LBPRGKRZSA-N 0 1 288.391 3.713 20 0 CHADMN CCc1nc(C)c(CN[C@@H](C)c2ccc3c(c2)CCC3)o1 ZINC000291888807 522204815 /nfs/dbraw/zinc/20/48/15/522204815.db2.gz KGZOWCWPDSWCEC-LBPRGKRZSA-N 0 1 284.403 3.885 20 0 CHADMN CCc1nc(C)c(CN[C@@H](CC)c2ccccc2)o1 ZINC000291961112 522207598 /nfs/dbraw/zinc/20/75/98/522207598.db2.gz RYVPJFCJPNQMDS-AWEZNQCLSA-N 0 1 258.365 3.786 20 0 CHADMN COc1cc(CN[C@H](C)c2ccc(Cl)s2)ccn1 ZINC000062057993 522483809 /nfs/dbraw/zinc/48/38/09/522483809.db2.gz KPEYLWOLHFTQJB-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN Cc1cnc([C@H](C)N2CC[C@@](C)(c3ccccc3)C2)o1 ZINC000336484755 534645821 /nfs/dbraw/zinc/64/58/21/534645821.db2.gz CCJCLOOPTFSXDT-WMLDXEAASA-N 0 1 270.376 3.708 20 0 CHADMN CCc1ncc(CN[C@H](C)c2cc(C)ccc2OC)s1 ZINC000037924193 522557119 /nfs/dbraw/zinc/55/71/19/522557119.db2.gz YQUNQPPGKUZCLI-GFCCVEGCSA-N 0 1 290.432 3.873 20 0 CHADMN CN(CC1CC1)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000081943729 522626928 /nfs/dbraw/zinc/62/69/28/522626928.db2.gz RGOZRUHBHYMIRK-UHFFFAOYSA-N 0 1 289.762 3.681 20 0 CHADMN CC[C@H](NCc1cnn(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000041159247 522668511 /nfs/dbraw/zinc/66/85/11/522668511.db2.gz HJOANIBZIVAJQR-AWEZNQCLSA-N 0 1 298.217 3.968 20 0 CHADMN CC[C@H](N[C@H](C)c1ccccn1)c1ccc2c(c1)CCO2 ZINC000037219011 522742248 /nfs/dbraw/zinc/74/22/48/522742248.db2.gz PQBAMYZCVCSIJR-CJNGLKHVSA-N 0 1 282.387 3.818 20 0 CHADMN COC[C@H](NCc1ccc(C)nc1)c1cccc(Cl)c1 ZINC000288592758 522748995 /nfs/dbraw/zinc/74/89/95/522748995.db2.gz OSXAUIMSKWYVFQ-INIZCTEOSA-N 0 1 290.794 3.521 20 0 CHADMN COC[C@H](NCc1ccc(C)nc1)c1ccc(Cl)cc1 ZINC000278730985 522749339 /nfs/dbraw/zinc/74/93/39/522749339.db2.gz LTWFRKFGHHZHAT-INIZCTEOSA-N 0 1 290.794 3.521 20 0 CHADMN COc1cc([C@@H](C)Nc2ccnc3cc(F)ccc32)ccn1 ZINC000340939387 522911104 /nfs/dbraw/zinc/91/11/04/522911104.db2.gz RJFYVXDNSQIKSZ-LLVKDONJSA-N 0 1 297.333 3.951 20 0 CHADMN CC[C@@H](N[C@@H](c1nnc[nH]1)c1ccccc1)c1ccccc1 ZINC000364138227 522921238 /nfs/dbraw/zinc/92/12/38/522921238.db2.gz KPLCZPLNNBIPFH-IAGOWNOFSA-N 0 1 292.386 3.635 20 0 CHADMN CCc1nocc1CN[C@H]1CCCc2ccc(C)cc21 ZINC000339405100 522955577 /nfs/dbraw/zinc/95/55/77/522955577.db2.gz XYCMQPJRJBNGNE-KRWDZBQOSA-N 0 1 270.376 3.713 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1cnc2ccc(C)cn12 ZINC000290659922 522968473 /nfs/dbraw/zinc/96/84/73/522968473.db2.gz ZQRAYUNEFKTKGG-QGZVFWFLSA-N 0 1 294.402 3.621 20 0 CHADMN COCc1ccc(CN(C)[C@H](C)c2ccco2)cc1 ZINC000131068589 522969524 /nfs/dbraw/zinc/96/95/24/522969524.db2.gz YMAXRJJCGABIAV-CYBMUJFWSA-N 0 1 259.349 3.619 20 0 CHADMN COc1cc2c(cc1F)CC[C@@H]2NCc1ccc(C)o1 ZINC000337847674 523006910 /nfs/dbraw/zinc/00/69/10/523006910.db2.gz IFXHTITVGDCUAX-HNNXBMFYSA-N 0 1 275.323 3.513 20 0 CHADMN COCc1cccc(CN2CCc3c(F)cccc3C2)c1 ZINC000339791941 523042337 /nfs/dbraw/zinc/04/23/37/523042337.db2.gz MSAUZEWXPDVIQR-UHFFFAOYSA-N 0 1 285.362 3.530 20 0 CHADMN COCc1cccc(CNCc2ccccc2Cl)c1 ZINC000038010486 523057395 /nfs/dbraw/zinc/05/73/95/523057395.db2.gz QASISFUFYCFGFH-UHFFFAOYSA-N 0 1 275.779 3.776 20 0 CHADMN CC[C@H]1CCCN1CC(=O)c1c(C)[nH]c2ccccc21 ZINC000340688603 523107553 /nfs/dbraw/zinc/10/75/53/523107553.db2.gz OBEIYWGUQLKIRH-ZDUSSCGKSA-N 0 1 270.376 3.533 20 0 CHADMN CC[C@H]1CCCN1Cc1cc(-c2cccs2)on1 ZINC000340689727 523110527 /nfs/dbraw/zinc/11/05/27/523110527.db2.gz UNOBOYAPFFANBV-LBPRGKRZSA-N 0 1 262.378 3.778 20 0 CHADMN CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc2nc(C)[nH]c21 ZINC000338442156 523222104 /nfs/dbraw/zinc/22/21/04/523222104.db2.gz WVJFQZYHSMDPFE-TZMCWYRMSA-N 0 1 285.391 3.570 20 0 CHADMN CN(Cc1ccc(Cl)s1)C[C@@H]1CCC=CO1 ZINC000278291914 523237224 /nfs/dbraw/zinc/23/72/24/523237224.db2.gz UZFLZPNAWWNJSP-JTQLQIEISA-N 0 1 257.786 3.526 20 0 CHADMN CC[C@@H]1CCCN1Cc1nc2cc(F)ccc2n1CC ZINC000340697427 523269006 /nfs/dbraw/zinc/26/90/06/523269006.db2.gz PSSHXKPWEXELHP-CYBMUJFWSA-N 0 1 275.371 3.570 20 0 CHADMN CC[C@@H]1CCCN1Cc1nnc(-c2ccccc2Cl)o1 ZINC000363503121 523269258 /nfs/dbraw/zinc/26/92/58/523269258.db2.gz ZHUCTLVNCRITGU-LLVKDONJSA-N 0 1 291.782 3.764 20 0 CHADMN CC[C@H]1C[C@@]1(NCc1cnc(C)nc1)c1cccc(C)c1 ZINC000337303205 523385184 /nfs/dbraw/zinc/38/51/84/523385184.db2.gz QIPDJGCSNWQSAG-WMZOPIPTSA-N 0 1 281.403 3.508 20 0 CHADMN CCn1cc(CN[C@@H]2CCCc3sc(Cl)cc32)cn1 ZINC000291630642 523386617 /nfs/dbraw/zinc/38/66/17/523386617.db2.gz ALRUYPTZTRQALE-GFCCVEGCSA-N 0 1 295.839 3.785 20 0 CHADMN CO[C@@H](C)CN(C)Cc1cnc(-c2ccc(C)cc2)s1 ZINC000289744127 523407980 /nfs/dbraw/zinc/40/79/80/523407980.db2.gz QILQXJVNRIDFKE-ZDUSSCGKSA-N 0 1 290.432 3.585 20 0 CHADMN CN(Cc1ccco1)Cc1cccc(C(F)(F)F)c1 ZINC000042366724 523436996 /nfs/dbraw/zinc/43/69/96/523436996.db2.gz POZDCNYXHRGKLV-UHFFFAOYSA-N 0 1 269.266 3.930 20 0 CHADMN CCn1cc([C@H](C)N[C@H](C)c2cccc(Cl)c2)cn1 ZINC000044495026 523475807 /nfs/dbraw/zinc/47/58/07/523475807.db2.gz ZDZAYVSZKZIGDU-NEPJUHHUSA-N 0 1 277.799 3.968 20 0 CHADMN CN(Cc1nc(Cl)ccc1Cl)C1CCCC1 ZINC000061630388 523557046 /nfs/dbraw/zinc/55/70/46/523557046.db2.gz FKZFNRLFLSNVFH-UHFFFAOYSA-N 0 1 259.180 3.763 20 0 CHADMN CN(Cc1nnc(-c2ccc(Cl)cc2)o1)CC(C)(C)C ZINC000263778998 523608653 /nfs/dbraw/zinc/60/86/53/523608653.db2.gz LFWBJZDTSGHJHE-UHFFFAOYSA-N 0 1 293.798 3.868 20 0 CHADMN CCn1nc(CNCc2ccc(C)s2)c2ccccc21 ZINC000089174313 523679970 /nfs/dbraw/zinc/67/99/70/523679970.db2.gz BRCBLUJOCZSQDY-UHFFFAOYSA-N 0 1 285.416 3.716 20 0 CHADMN CO[C@H](C)c1nc(CN2CC(C)(C)[C@H]3CCC[C@H]32)cs1 ZINC000339709175 523911998 /nfs/dbraw/zinc/91/19/98/523911998.db2.gz CEZHAWRJSBDOMI-KWCYVHTRSA-N 0 1 294.464 3.861 20 0 CHADMN CCc1ccc(CN[C@@H]2CCc3c2cccc3F)o1 ZINC000131411375 523945730 /nfs/dbraw/zinc/94/57/30/523945730.db2.gz JBNCOAFHJIDJEQ-MRXNPFEDSA-N 0 1 259.324 3.758 20 0 CHADMN CCc1ccc(CN[C@H](C)[C@@H]2OCCc3sccc32)o1 ZINC000291654604 523946698 /nfs/dbraw/zinc/94/66/98/523946698.db2.gz DDIVWZQIQGQMRG-BZNIZROVSA-N 0 1 291.416 3.696 20 0 CHADMN CCc1ccc([C@@H](CC)NCc2cc(C)no2)cc1 ZINC000044986324 524028397 /nfs/dbraw/zinc/02/83/97/524028397.db2.gz HABWTJZVBWLNGI-MRXNPFEDSA-N 0 1 258.365 3.786 20 0 CHADMN CCc1ccc([C@@H]2CCN(Cc3nnc(C(C)C)o3)C2)cc1 ZINC000293310075 524037614 /nfs/dbraw/zinc/03/76/14/524037614.db2.gz LIHZQQKWBHPYTM-MRXNPFEDSA-N 0 1 299.418 3.745 20 0 CHADMN COc1ccc(CNCc2cnc(C(C)(C)C)s2)cc1 ZINC000059180711 524073267 /nfs/dbraw/zinc/07/32/67/524073267.db2.gz OOFVWBTWYMLYCA-UHFFFAOYSA-N 0 1 290.432 3.739 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccccn2)cc1Cl ZINC000086583721 524090144 /nfs/dbraw/zinc/09/01/44/524090144.db2.gz VFDIGRXDVGGFQW-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN COc1cccc([C@@H](C)NCc2cc(F)c(F)c(F)c2)c1 ZINC000062707937 524090666 /nfs/dbraw/zinc/09/06/66/524090666.db2.gz ZYFHMNQBSJKQSY-SNVBAGLBSA-N 0 1 295.304 3.963 20 0 CHADMN Cc1cccc(/C=C\c2nc([C@@H](N)CC(C)C)no2)c1 ZINC000339387926 524153012 /nfs/dbraw/zinc/15/30/12/524153012.db2.gz RNUHLMKTMBSLLY-DANTVBBOSA-N 0 1 271.364 3.594 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1CCC[C@H]1C ZINC000076116668 524231820 /nfs/dbraw/zinc/23/18/20/524231820.db2.gz RGKLBZZBARABGZ-CQSZACIVSA-N 0 1 274.408 3.541 20 0 CHADMN Cc1cccc(C(C)(C)NCc2cnc([C@H](C)O)s2)c1 ZINC000290427016 524232257 /nfs/dbraw/zinc/23/22/57/524232257.db2.gz RIIGDLUWCXXMAX-LBPRGKRZSA-N 0 1 290.432 3.530 20 0 CHADMN Cc1cc(C)c(CN[C@H]2C[C@@H](C)n3ccnc32)c(C)c1 ZINC000295234492 524273279 /nfs/dbraw/zinc/27/32/79/524273279.db2.gz OGXKEXQSRWGWNA-ZBFHGGJFSA-N 0 1 269.392 3.604 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCC(C)(C)CC1 ZINC000339252034 524293577 /nfs/dbraw/zinc/29/35/77/524293577.db2.gz FHUHKVSIZGMHRO-OAHLLOKOSA-N 0 1 288.435 3.752 20 0 CHADMN Cc1ccc(CCc2nc([C@@H](N)CC(C)C)no2)c(C)c1 ZINC000339397701 524352257 /nfs/dbraw/zinc/35/22/57/524352257.db2.gz SSOTZHKIKGVAKW-HNNXBMFYSA-N 0 1 287.407 3.518 20 0 CHADMN C[C@@H]1CCC[C@H](CC(=O)Nc2ccccc2-c2nnc[nH]2)C1 ZINC000364816603 524372488 /nfs/dbraw/zinc/37/24/88/524372488.db2.gz WZUWZYJPZXKUEV-OLZOCXBDSA-N 0 1 298.390 3.627 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cc(F)cc(F)c2)cn1 ZINC000094827491 524591880 /nfs/dbraw/zinc/59/18/80/524591880.db2.gz VZEUVKQQEVYJLW-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN C[C@@H]1CC[C@H](NCc2nc(Cc3ccccc3)no2)[C@@H](C)C1 ZINC000246687433 524703131 /nfs/dbraw/zinc/70/31/31/524703131.db2.gz WEGDPVRIDPHTIR-YCPHGPKFSA-N 0 1 299.418 3.575 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN[C@H](C)c1cccnc1 ZINC000344403561 534806963 /nfs/dbraw/zinc/80/69/63/534806963.db2.gz DBOATSSUSDBCEL-GFCCVEGCSA-N 0 1 286.423 3.501 20 0 CHADMN Cc1cc(CN[C@H]2CC[C@@H](C)c3ccccc32)on1 ZINC000125636871 524782365 /nfs/dbraw/zinc/78/23/65/524782365.db2.gz YBPDUWPZOSMEFU-BZNIZROVSA-N 0 1 256.349 3.711 20 0 CHADMN C[C@H]1C[C@@H](NCc2nccc(C(F)F)n2)CC(C)(C)C1 ZINC000286934500 524813001 /nfs/dbraw/zinc/81/30/01/524813001.db2.gz GLTNKVLOILNZPP-WDEREUQCSA-N 0 1 283.366 3.719 20 0 CHADMN C[C@H]1C[C@@H](O)CCN1Cc1sc2ccccc2c1Cl ZINC000292295434 524817242 /nfs/dbraw/zinc/81/72/42/524817242.db2.gz CUMUHLGYYRKLNB-QWRGUYRKSA-N 0 1 295.835 3.900 20 0 CHADMN Cc1ccc(F)c(NC(=O)c2cc(C)cc3cn[nH]c32)c1 ZINC000338640858 524825147 /nfs/dbraw/zinc/82/51/47/524825147.db2.gz MYZRHLSVDWDLGH-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1ccc(F)c(N[C@@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000292033767 524825938 /nfs/dbraw/zinc/82/59/38/524825938.db2.gz DQDZIOILMPOTLQ-OAHLLOKOSA-N 0 1 288.370 3.986 20 0 CHADMN COc1ccncc1CN[C@@H]1CCCc2ccc(C)cc21 ZINC000294106934 524858397 /nfs/dbraw/zinc/85/83/97/524858397.db2.gz JUJVFXSRNTZVOK-QGZVFWFLSA-N 0 1 282.387 3.566 20 0 CHADMN Cc1cc(Cl)cc(CN[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000339327981 524871620 /nfs/dbraw/zinc/87/16/20/524871620.db2.gz AYCXQNXXVDQPAB-NSHDSACASA-N 0 1 292.814 3.741 20 0 CHADMN Cc1cccc([C@H](C)NCc2cnc([C@@H](C)O)s2)c1C ZINC000290314102 524875357 /nfs/dbraw/zinc/87/53/57/524875357.db2.gz IXWKYLWLTYGUBJ-QWHCGFSZSA-N 0 1 290.432 3.664 20 0 CHADMN Cc1cccc([C@H](C)NCc2ncccc2N(C)C)c1C ZINC000289572045 524875876 /nfs/dbraw/zinc/87/58/76/524875876.db2.gz AYAPFPPGSFKJAU-HNNXBMFYSA-N 0 1 283.419 3.615 20 0 CHADMN Cc1csc(CNC/C=C\c2ccc(F)c(F)c2)n1 ZINC000352816828 534816166 /nfs/dbraw/zinc/81/61/66/534816166.db2.gz MHHNTPLFMWOLPF-IHWYPQMZSA-N 0 1 280.343 3.533 20 0 CHADMN COc1ccc(OC)c([C@H](C)NCc2csc(C)c2)c1 ZINC000292811634 524906637 /nfs/dbraw/zinc/90/66/37/524906637.db2.gz XEOWWRPFXUDYEC-LBPRGKRZSA-N 0 1 291.416 3.925 20 0 CHADMN Cc1csc(CN[C@H](C)c2c(C)cccc2C)n1 ZINC000354679005 534820075 /nfs/dbraw/zinc/82/00/75/534820075.db2.gz QPMZXYWKZDVKPA-CYBMUJFWSA-N 0 1 260.406 3.919 20 0 CHADMN COc1ncccc1CN[C@H](C)c1ccc(Cl)cc1 ZINC000037650493 525062481 /nfs/dbraw/zinc/06/24/81/525062481.db2.gz DOUPLGAXPDXKQJ-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccsc2)c(F)c1 ZINC000063152449 525155976 /nfs/dbraw/zinc/15/59/76/525155976.db2.gz RHHISQKRYPWMCB-SNVBAGLBSA-N 0 1 265.353 3.747 20 0 CHADMN Cc1ccccc1C[C@@H](C)NCc1noc2c1CCCC2 ZINC000288349855 525192244 /nfs/dbraw/zinc/19/22/44/525192244.db2.gz BXXNBLNCAMCJBL-CQSZACIVSA-N 0 1 284.403 3.583 20 0 CHADMN C[C@@H]1C[C@@H](NCc2nccc(C(F)F)n2)CC(C)(C)C1 ZINC000286934493 525271130 /nfs/dbraw/zinc/27/11/30/525271130.db2.gz GLTNKVLOILNZPP-GHMZBOCLSA-N 0 1 283.366 3.719 20 0 CHADMN COc1ccc([C@H](C)NCc2ccccc2F)cc1F ZINC000019950628 525323848 /nfs/dbraw/zinc/32/38/48/525323848.db2.gz KJQILEPYIPAKME-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc3c(n2)CCCC3)cc1 ZINC000278175410 525324173 /nfs/dbraw/zinc/32/41/73/525324173.db2.gz BGBDWYXHZQROSC-AWEZNQCLSA-N 0 1 296.414 3.820 20 0 CHADMN C[C@H](NCCC(F)(F)F)c1ccc(F)cc1F ZINC000059313275 525328154 /nfs/dbraw/zinc/32/81/54/525328154.db2.gz MDKBFWAGGUEMTP-ZETCQYMHSA-N 0 1 253.214 3.568 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cncs2)cc1 ZINC000130049548 525336837 /nfs/dbraw/zinc/33/68/37/525336837.db2.gz DWIHQVIWTHWLTQ-WDEREUQCSA-N 0 1 262.378 3.564 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2cn(C(C)C)nn2)C1 ZINC000289494216 525392664 /nfs/dbraw/zinc/39/26/64/525392664.db2.gz CTINYTUGLBRHJX-HZPDHXFCSA-N 0 1 298.434 3.545 20 0 CHADMN Cc1ccccc1[C@H](C)N1CCO[C@H](c2ccco2)C1 ZINC000151731983 525406162 /nfs/dbraw/zinc/40/61/62/525406162.db2.gz QKIRWZKOZYBQMN-YOEHRIQHSA-N 0 1 271.360 3.723 20 0 CHADMN C[C@H](NCc1cc(Cl)cs1)c1cccnc1 ZINC000086332204 525431390 /nfs/dbraw/zinc/43/13/90/525431390.db2.gz XMPSKJNBRYFKGS-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN C[C@@H](NCCF)c1ccc(SCC(F)F)cc1 ZINC000281024343 525446014 /nfs/dbraw/zinc/44/60/14/525446014.db2.gz MNLSBTHAVQORMY-SECBINFHSA-N 0 1 263.328 3.664 20 0 CHADMN C[C@@H]1C[C@H](N[C@H]2CC(C)(C)c3ccccc32)c2nccn21 ZINC000297135216 525447326 /nfs/dbraw/zinc/44/73/26/525447326.db2.gz ZEZKNLDUJYNDKR-KCXAZCMYSA-N 0 1 281.403 3.901 20 0 CHADMN C[C@H](NCc1ccccc1OC(F)F)c1cccnc1 ZINC000020131641 525463749 /nfs/dbraw/zinc/46/37/49/525463749.db2.gz OGHLKNPIURRWCN-NSHDSACASA-N 0 1 278.302 3.534 20 0 CHADMN C[C@H](NCc1ccccn1)c1cccc(OC(F)F)c1 ZINC000020091660 525465282 /nfs/dbraw/zinc/46/52/82/525465282.db2.gz WVNFZSHXQQIPAD-NSHDSACASA-N 0 1 278.302 3.534 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(F)cc2)o1 ZINC000019943507 525509204 /nfs/dbraw/zinc/50/92/04/525509204.db2.gz DPILMCNBWPUGPU-IAQYHMDHSA-N 0 1 259.324 3.832 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc([C@@H](C)O)cc2)c(C)o1 ZINC000278222854 525523116 /nfs/dbraw/zinc/52/31/16/525523116.db2.gz JFNOIBRVHRKFHC-QWHCGFSZSA-N 0 1 273.376 3.801 20 0 CHADMN Cc1cccnc1CN[C@@H](C)c1ccc(Cl)cc1 ZINC000071339258 525525717 /nfs/dbraw/zinc/52/57/17/525525717.db2.gz JENWWXUSEVWLMA-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCc3c2cccc3O)c(C)o1 ZINC000044729726 525528125 /nfs/dbraw/zinc/52/81/25/525528125.db2.gz YFSGOPMGWMOWBU-MEDUHNTESA-N 0 1 271.360 3.940 20 0 CHADMN C[C@@H](NCc1ccc([C@H](C)O)cc1)c1ccc(Cl)cn1 ZINC000274902688 525529209 /nfs/dbraw/zinc/52/92/09/525529209.db2.gz LNBCIEBBDKKKIB-NEPJUHHUSA-N 0 1 290.794 3.639 20 0 CHADMN C[C@@H](NCc1cccc(N(C)C)c1)c1ccc(Cl)cn1 ZINC000274938837 525534955 /nfs/dbraw/zinc/53/49/55/525534955.db2.gz SNWRLXHBOPZCNQ-GFCCVEGCSA-N 0 1 289.810 3.652 20 0 CHADMN C[C@@H](NCc1cccc2c1OCCCO2)c1ccsc1 ZINC000061361240 525535213 /nfs/dbraw/zinc/53/52/13/525535213.db2.gz UZUKNFQEOJCTMX-GFCCVEGCSA-N 0 1 289.400 3.760 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C1CCC(F)(F)CC1 ZINC000276776382 525585871 /nfs/dbraw/zinc/58/58/71/525585871.db2.gz PFJOCXMCYKXCOW-UHFFFAOYSA-N 0 1 293.317 3.635 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C1=CCCCCC1 ZINC000276756196 525586472 /nfs/dbraw/zinc/58/64/72/525586472.db2.gz NDKQVXGKOTWYHH-UHFFFAOYSA-N 0 1 269.348 3.700 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccco1)c1cccc(C2CC2)c1 ZINC000340362648 525626773 /nfs/dbraw/zinc/62/67/73/525626773.db2.gz QILCNGYUKFNWLE-DYVFJYSZSA-N 0 1 285.387 3.931 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1ccccc1Cl ZINC000280072038 525640759 /nfs/dbraw/zinc/64/07/59/525640759.db2.gz LBZXSGXFWZGVBW-IAQYHMDHSA-N 0 1 289.810 3.802 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2nccnc2C)cc1C ZINC000275887898 525740831 /nfs/dbraw/zinc/74/08/31/525740831.db2.gz QIMOEMKCPVOBGO-HIFRSBDPSA-N 0 1 269.392 3.814 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1cnc2ccccc2c1 ZINC000337214922 525769113 /nfs/dbraw/zinc/76/91/13/525769113.db2.gz XXJSAIBINOQPRI-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)N(Cc3ncnn3C(C)C)C2)cc1 ZINC000279718424 525844788 /nfs/dbraw/zinc/84/47/88/525844788.db2.gz LKEJMGWKHPIINV-NVXWUHKLSA-N 0 1 298.434 3.545 20 0 CHADMN COc1cccc(C2(CN[C@H](C)c3cscn3)CC2)c1 ZINC000290707014 525850167 /nfs/dbraw/zinc/85/01/67/525850167.db2.gz NRIOFVHNTKYTLI-GFCCVEGCSA-N 0 1 288.416 3.534 20 0 CHADMN Cc1ccc([C@H](C)[N@@H+](C)CCCCC(=O)[O-])c(C)c1 ZINC000262253458 525884458 /nfs/dbraw/zinc/88/44/58/525884458.db2.gz PYYSYPHNHRPAGM-AWEZNQCLSA-N 0 1 263.381 3.551 20 0 CHADMN CSc1cc(C)ccc1CNCc1ccc(F)nc1C ZINC000278482188 525940726 /nfs/dbraw/zinc/94/07/26/525940726.db2.gz KXWSCDKFTOWADU-UHFFFAOYSA-N 0 1 290.407 3.849 20 0 CHADMN Cc1ccc([C@H](N[C@@H](C)c2nccnc2C)C2CC2)cc1 ZINC000275694241 525972310 /nfs/dbraw/zinc/97/23/10/525972310.db2.gz KYRFEVRZZWVWQV-KSSFIOAISA-N 0 1 281.403 3.895 20 0 CHADMN CSc1ccc(CN2CC[C@@H](COC(F)F)C2)s1 ZINC000356325924 525993960 /nfs/dbraw/zinc/99/39/60/525993960.db2.gz WSVVJXINDNQYBM-SECBINFHSA-N 0 1 293.404 3.531 20 0 CHADMN COc1cccc(CNC(C)(C)c2ccc(Cl)cc2)n1 ZINC000237186389 526010752 /nfs/dbraw/zinc/01/07/52/526010752.db2.gz MUDSRMSYXDRZEU-UHFFFAOYSA-N 0 1 290.794 3.769 20 0 CHADMN Cc1c[nH]nc1CN(Cc1ccccc1)C(C)(C)C ZINC000290534460 526020440 /nfs/dbraw/zinc/02/04/40/526020440.db2.gz VNNZQHYRUOXSEF-UHFFFAOYSA-N 0 1 257.381 3.519 20 0 CHADMN Cc1cn[nH]c1CN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000290358594 526020679 /nfs/dbraw/zinc/02/06/79/526020679.db2.gz GLVFLGSKYRYAFN-XHDPSFHLSA-N 0 1 285.391 3.599 20 0 CHADMN Cc1c[nH]nc1CN(C(C)C)[C@@H](C)c1ccccc1 ZINC000292862651 526021370 /nfs/dbraw/zinc/02/13/70/526021370.db2.gz VMSUXVKXUQYCKB-AWEZNQCLSA-N 0 1 257.381 3.690 20 0 CHADMN Cc1cnc(CN2CC[C@@](C)(c3ccccc3)C2)s1 ZINC000357323111 526023914 /nfs/dbraw/zinc/02/39/14/526023914.db2.gz WLSAREAOZIMRAP-MRXNPFEDSA-N 0 1 272.417 3.615 20 0 CHADMN Cc1cnc(CN2CC[C@H](CSc3ccccc3)C2)o1 ZINC000075963898 526026474 /nfs/dbraw/zinc/02/64/74/526026474.db2.gz LFSBEJZFQPFSDR-AWEZNQCLSA-N 0 1 288.416 3.597 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC([C@@H]2CCOC2)CC1 ZINC000365037054 526028998 /nfs/dbraw/zinc/02/89/98/526028998.db2.gz NIUQOKJQKRTLEU-GXTWGEPZSA-N 0 1 295.373 3.774 20 0 CHADMN Cc1cn[nH]c1CN1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC000293981767 526029600 /nfs/dbraw/zinc/02/96/00/526029600.db2.gz RIBHDFWIJZLFMY-GFCCVEGCSA-N 0 1 295.308 3.774 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cc(C)oc2C)c1 ZINC000037680307 526032317 /nfs/dbraw/zinc/03/23/17/526032317.db2.gz CHERSOFUIDNUMM-LBPRGKRZSA-N 0 1 259.349 3.756 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(OC(F)F)c(Cl)c1 ZINC000289823136 526035266 /nfs/dbraw/zinc/03/52/66/526035266.db2.gz JHMJMDVTNSCSCV-UHFFFAOYSA-N 0 1 287.697 3.585 20 0 CHADMN Cc1c[nH]nc1CN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000290073600 526035734 /nfs/dbraw/zinc/03/57/34/526035734.db2.gz YLVNBZBOGXZUHQ-KRWDZBQOSA-N 0 1 287.382 3.878 20 0 CHADMN COc1cccc(CN[C@H](c2ccccc2)C(C)(C)C)n1 ZINC000226752700 526038487 /nfs/dbraw/zinc/03/84/87/526038487.db2.gz CDWRJZSUNCHQOH-QGZVFWFLSA-N 0 1 284.403 3.967 20 0 CHADMN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1cnc[nH]1 ZINC000280566026 526039560 /nfs/dbraw/zinc/03/95/60/526039560.db2.gz VPUMMCLTAAQJRR-JTQLQIEISA-N 0 1 283.297 3.622 20 0 CHADMN Cc1cnc(CNC[C@@H](C)Oc2ccc(Cl)cc2)s1 ZINC000295659861 526039744 /nfs/dbraw/zinc/03/97/44/526039744.db2.gz JIGOLEBHIZPUIB-SNVBAGLBSA-N 0 1 296.823 3.662 20 0 CHADMN CSc1ccc(NC(=O)c2cccc3nc(C)[nH]c32)cc1 ZINC000338507075 526039999 /nfs/dbraw/zinc/03/99/99/526039999.db2.gz XNUMIPZMKRBHTK-UHFFFAOYSA-N 0 1 297.383 3.846 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)N(Cc3cn(C(C)C)nn3)C2)cc1 ZINC000289916559 526040494 /nfs/dbraw/zinc/04/04/94/526040494.db2.gz YFLCXCBLVZOAGN-RDJZCZTQSA-N 0 1 298.434 3.545 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@@H+](C)CCCCC(=O)[O-] ZINC000062015181 526099983 /nfs/dbraw/zinc/09/99/83/526099983.db2.gz SJRITLSOWCCBQS-NSHDSACASA-N 0 1 269.772 3.588 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)CC(C)(C)C)[nH]c2c1 ZINC000299407873 526104193 /nfs/dbraw/zinc/10/41/93/526104193.db2.gz LJBZDQZUZLDZGU-HNNXBMFYSA-N 0 1 299.418 3.971 20 0 CHADMN C[C@@H](c1nc(CC2CCCC2)no1)N1[C@H](C)CC[C@@H]1C ZINC000340885159 526168514 /nfs/dbraw/zinc/16/85/14/526168514.db2.gz CARKKEOHPNJMNY-XQQFMLRXSA-N 0 1 277.412 3.736 20 0 CHADMN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@H](C2CC2)C1 ZINC000289482131 526172983 /nfs/dbraw/zinc/17/29/83/526172983.db2.gz RWBCMUASRKUJMF-JSGCOSHPSA-N 0 1 297.402 3.518 20 0 CHADMN Cc1cncc(CN2CCS[C@H](c3ccccc3)C2)c1 ZINC000364800199 526196460 /nfs/dbraw/zinc/19/64/60/526196460.db2.gz TWSGIFZFURFOLO-KRWDZBQOSA-N 0 1 284.428 3.680 20 0 CHADMN Cc1cncc(CN[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000131115218 526206335 /nfs/dbraw/zinc/20/63/35/526206335.db2.gz QBIHOUACWHVSII-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H]1F)CCCO2 ZINC000340524059 526212075 /nfs/dbraw/zinc/21/20/75/526212075.db2.gz BBXIRHGNPGSUCH-ZNMIVQPWSA-N 0 1 263.356 3.689 20 0 CHADMN Cc1cnccc1CNCc1csc(Br)c1 ZINC000129732006 526234385 /nfs/dbraw/zinc/23/43/85/526234385.db2.gz UMXHXYJIGNLFSO-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN C[C@H]1CCCCN1Cc1coc(-c2ccccc2)n1 ZINC000248097176 526251574 /nfs/dbraw/zinc/25/15/74/526251574.db2.gz MXOXBWFSFMLJEI-ZDUSSCGKSA-N 0 1 256.349 3.716 20 0 CHADMN Cc1cnn(CCSc2nc(C)c(-c3ccccc3)[nH]2)c1 ZINC000340711501 526264343 /nfs/dbraw/zinc/26/43/43/526264343.db2.gz PIPQDUVPGSJWIX-UHFFFAOYSA-N 0 1 298.415 3.682 20 0 CHADMN FCCCN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000364893303 526282677 /nfs/dbraw/zinc/28/26/77/526282677.db2.gz PITPBAFMZZEXKO-ZDUSSCGKSA-N 0 1 262.328 3.714 20 0 CHADMN Oc1ccc2c(c1)[C@@H](NCc1ccc(F)c(F)c1)CCC2 ZINC000236598188 526353322 /nfs/dbraw/zinc/35/33/22/526353322.db2.gz SVSGSGYQGOQJQQ-KRWDZBQOSA-N 0 1 289.325 3.838 20 0 CHADMN CC(C)(C)OC(=O)CCNc1ccnc2cc(F)ccc21 ZINC000351889168 526359913 /nfs/dbraw/zinc/35/99/13/526359913.db2.gz QWZVFMRSODYWCY-UHFFFAOYSA-N 0 1 290.338 3.518 20 0 CHADMN Fc1cccc(CNCc2cccc(Cl)c2)c1F ZINC000052396143 526388753 /nfs/dbraw/zinc/38/87/53/526388753.db2.gz STVRLVMPXUMZNH-UHFFFAOYSA-N 0 1 267.706 3.908 20 0 CHADMN c1ccc(C2(NCc3nc4cccnc4s3)CCC2)cc1 ZINC000341555586 526461777 /nfs/dbraw/zinc/46/17/77/526461777.db2.gz AQALUTSLKIJFOB-UHFFFAOYSA-N 0 1 295.411 3.860 20 0 CHADMN c1ccc(Cc2noc([C@@H]3CCCN3C3CCCC3)n2)cc1 ZINC000275708138 526478240 /nfs/dbraw/zinc/47/82/40/526478240.db2.gz REMJZJWWPLOKEL-INIZCTEOSA-N 0 1 297.402 3.740 20 0 CHADMN Cc1noc(C)c1CN(C)c1cc(C)nc2ccc(F)cc21 ZINC000121124801 526499565 /nfs/dbraw/zinc/49/95/65/526499565.db2.gz ZRXNJOCYROVFJK-UHFFFAOYSA-N 0 1 299.349 3.924 20 0 CHADMN Cc1noc(C)c1CNC(C)(C)c1ccccc1C ZINC000292846547 526515535 /nfs/dbraw/zinc/51/55/35/526515535.db2.gz BLBILLPCPHUHPI-UHFFFAOYSA-N 0 1 258.365 3.625 20 0 CHADMN c1ccc2oc(CN3CCCC4(CCC4)C3)nc2c1 ZINC000366338883 526520280 /nfs/dbraw/zinc/52/02/80/526520280.db2.gz IDCHIAWNIVMJRU-UHFFFAOYSA-N 0 1 256.349 3.594 20 0 CHADMN Cc1[nH]ncc1CNc1cc(C(C)C)nn1-c1ccccc1 ZINC000289787606 526555613 /nfs/dbraw/zinc/55/56/13/526555613.db2.gz JYZIOZDWFRGMDP-UHFFFAOYSA-N 0 1 295.390 3.639 20 0 CHADMN c1csc(-c2cnc(CN3C[C@H]4CCC[C@@H]4C3)o2)c1 ZINC000153002402 526572618 /nfs/dbraw/zinc/57/26/18/526572618.db2.gz FETGOZAILIIINY-VXGBXAGGSA-N 0 1 274.389 3.635 20 0 CHADMN c1csc([C@@H]2CCCN2Cc2cn3ccccc3n2)c1 ZINC000066562918 526585252 /nfs/dbraw/zinc/58/52/52/526585252.db2.gz UAAAPRMCJANHLC-AWEZNQCLSA-N 0 1 283.400 3.733 20 0 CHADMN c1csc([C@H](NC[C@H]2CCSC2)c2ccccc2)n1 ZINC000278488460 526587793 /nfs/dbraw/zinc/58/77/93/526587793.db2.gz LQTMOBXNSMYONH-TZMCWYRMSA-N 0 1 290.457 3.575 20 0 CHADMN CC(C)(C)Oc1cccc(CN2CCCC3(CC3)C2)n1 ZINC000352278724 526588388 /nfs/dbraw/zinc/58/83/88/526588388.db2.gz DTRHLXHSSCYPGL-UHFFFAOYSA-N 0 1 274.408 3.635 20 0 CHADMN c1ncn2ccc(-c3noc([C@@H]4CC5CCC4CC5)n3)cc12 ZINC000340697519 526617558 /nfs/dbraw/zinc/61/75/58/526617558.db2.gz SCLDAQNUEIQUNI-KOHJWAIASA-N 0 1 294.358 3.678 20 0 CHADMN Cc1nc(C(C)C)ccc1CN(C)[C@H](CO)c1ccccc1 ZINC000293155720 526667383 /nfs/dbraw/zinc/66/73/83/526667383.db2.gz RDAIJGRNAPULTK-LJQANCHMSA-N 0 1 298.430 3.679 20 0 CHADMN Cc1nocc1CN1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000293507517 526687978 /nfs/dbraw/zinc/68/79/78/526687978.db2.gz BXXNOYGWFXOZBD-UHFFFAOYSA-N 0 1 293.370 3.754 20 0 CHADMN Cc1nc(C)c(CNCc2ccc(Cl)s2)s1 ZINC000080693129 526725279 /nfs/dbraw/zinc/72/52/79/526725279.db2.gz OTTFZALLTIHRMH-UHFFFAOYSA-N 0 1 272.826 3.765 20 0 CHADMN Cc1oc2ccccc2c1CNCc1ccnn1C(C)C ZINC000279961104 526789231 /nfs/dbraw/zinc/78/92/31/526789231.db2.gz PKXMFICCCNRORC-UHFFFAOYSA-N 0 1 283.375 3.808 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2Cc2ccc(F)cc2)cs1 ZINC000340676382 526858435 /nfs/dbraw/zinc/85/84/35/526858435.db2.gz OULSGNHUTIIPTO-MRXNPFEDSA-N 0 1 290.407 3.798 20 0 CHADMN Cc1nc(CN2CCC[C@@H](c3ccccc3)C2)cs1 ZINC000353644267 526858535 /nfs/dbraw/zinc/85/85/35/526858535.db2.gz NIXHBLIASXRVDR-OAHLLOKOSA-N 0 1 272.417 3.831 20 0 CHADMN Cc1sccc1CN[C@@H]1CSc2ccccc21 ZINC000339268396 526918835 /nfs/dbraw/zinc/91/88/35/526918835.db2.gz CQTVGEGSKCHIHL-CYBMUJFWSA-N 0 1 261.415 3.993 20 0 CHADMN Cc1nc(F)ccc1CNC1(c2cccc(Cl)c2)CC1 ZINC000278486734 526947098 /nfs/dbraw/zinc/94/70/98/526947098.db2.gz LKXMOLXSYIMKJD-UHFFFAOYSA-N 0 1 290.769 3.961 20 0 CHADMN Clc1ccsc1CN1CCC([C@H]2CCCO2)CC1 ZINC000278763292 526995142 /nfs/dbraw/zinc/99/51/42/526995142.db2.gz UAOJLWUBLAGVKC-CYBMUJFWSA-N 0 1 285.840 3.793 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC(C(C)(C)C)CC2)[nH]1 ZINC000338536178 527149893 /nfs/dbraw/zinc/14/98/93/527149893.db2.gz KXXQZZYHJPGHHC-UHFFFAOYSA-N 0 1 299.418 3.770 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@@H]3CCCCC3(C)C)c2[nH]1 ZINC000338576526 527155212 /nfs/dbraw/zinc/15/52/12/527155212.db2.gz ZVXKKWINZHDZRE-CQSZACIVSA-N 0 1 285.391 3.570 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)c2[nH]1 ZINC000338574702 527155351 /nfs/dbraw/zinc/15/53/51/527155351.db2.gz JTLIQOIGXRXBTI-MELADBBJSA-N 0 1 297.402 3.570 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3ccc4cc[nH]c4c3)c2[nH]1 ZINC000338623510 527157082 /nfs/dbraw/zinc/15/70/82/527157082.db2.gz FDHWFEFNOUTSRQ-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN Cc1ncc(CNCc2ccc(Cl)c(F)c2)s1 ZINC000043389986 527272103 /nfs/dbraw/zinc/27/21/03/527272103.db2.gz SXIBOSLABYZIBI-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)c2ccc(Cl)s2)c1 ZINC000336597497 527321220 /nfs/dbraw/zinc/32/12/20/527321220.db2.gz NTWNAZULXHKAOM-UHFFFAOYSA-N 0 1 295.747 3.562 20 0 CHADMN Cc1nccc(CN[C@@H](CC(C)C)c2cccs2)n1 ZINC000339198594 527338145 /nfs/dbraw/zinc/33/81/45/527338145.db2.gz KWGOCGLQKKUSGQ-AWEZNQCLSA-N 0 1 275.421 3.724 20 0 CHADMN Cc1nccc(N(C)[C@@H](CCO)c2ccccc2)c1Cl ZINC000354022758 527344704 /nfs/dbraw/zinc/34/47/04/527344704.db2.gz SXABJYGRHSCWHU-AWEZNQCLSA-N 0 1 290.794 3.603 20 0 CHADMN Cn1ccnc1[C@@H](N[C@@H]1CCCc2sccc21)C1CC1 ZINC000129191488 527454148 /nfs/dbraw/zinc/45/41/48/527454148.db2.gz OMJFIALNRTYUER-HIFRSBDPSA-N 0 1 287.432 3.600 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000187683066 527454258 /nfs/dbraw/zinc/45/42/58/527454258.db2.gz IZSXRFOFIYFPBD-ZYHUDNBSSA-N 0 1 275.783 3.850 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1cc2ccccc2s1 ZINC000275829828 527455210 /nfs/dbraw/zinc/45/52/10/527455210.db2.gz HRHBXDQLIHCQFX-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1ccc(C(F)(F)F)cc1 ZINC000187715733 527458165 /nfs/dbraw/zinc/45/81/65/527458165.db2.gz JPTFPIOJIHFUAN-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H]1CCCc2sccc21 ZINC000188476430 527458282 /nfs/dbraw/zinc/45/82/82/527458282.db2.gz JYEWFTABGSDBSX-WCQYABFASA-N 0 1 273.405 3.575 20 0 CHADMN Cn1ccnc1[C@H](NC[C@H]1CC=CCC1)c1cccc(F)c1 ZINC000237908343 527464758 /nfs/dbraw/zinc/46/47/58/527464758.db2.gz XFDBIILXXMQCQJ-WMLDXEAASA-N 0 1 299.393 3.595 20 0 CHADMN O=C(Nc1csc2ccccc12)c1ccc2cncn2c1 ZINC000340006238 527495977 /nfs/dbraw/zinc/49/59/77/527495977.db2.gz IBJVYIFKGURWEU-UHFFFAOYSA-N 0 1 293.351 3.801 20 0 CHADMN Cc1ncsc1CN(C)C/C=C/c1ccc(F)c(F)c1 ZINC000289464415 527498071 /nfs/dbraw/zinc/49/80/71/527498071.db2.gz YLUNVAAJGBVABZ-ONEGZZNKSA-N 0 1 294.370 3.875 20 0 CHADMN Cc1ncsc1CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000066563980 527501084 /nfs/dbraw/zinc/50/10/84/527501084.db2.gz ZQYFAQMOYYZAGH-NSHDSACASA-N 0 1 264.369 3.784 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000043585441 527597845 /nfs/dbraw/zinc/59/78/45/527597845.db2.gz VBYXKUBZLDVZBE-NSHDSACASA-N 0 1 299.773 3.556 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000043585440 527600854 /nfs/dbraw/zinc/60/08/54/527600854.db2.gz VBYXKUBZLDVZBE-LLVKDONJSA-N 0 1 299.773 3.556 20 0 CHADMN OC[C@H](NCc1cccc(C(F)F)c1)c1ccc(F)cc1 ZINC000279712146 527609677 /nfs/dbraw/zinc/60/96/77/527609677.db2.gz LEOVZMFHWCVUSJ-HNNXBMFYSA-N 0 1 295.304 3.587 20 0 CHADMN Cc1nn(C)c(Cl)c1CN[C@H](C)c1ccc(C)cc1 ZINC000163892823 527668288 /nfs/dbraw/zinc/66/82/88/527668288.db2.gz FIOGHPBYPBIQQW-LLVKDONJSA-N 0 1 277.799 3.541 20 0 CHADMN Cc1nn(C)cc1CN(C)[C@H](C)c1cccc(Cl)c1 ZINC000130356454 527691585 /nfs/dbraw/zinc/69/15/85/527691585.db2.gz AXDMEYCMBCBBNX-GFCCVEGCSA-N 0 1 277.799 3.575 20 0 CHADMN FC(F)[C@@H](CCc1ccccc1)NCC1CC(F)(F)C1 ZINC000293327539 527698388 /nfs/dbraw/zinc/69/83/88/527698388.db2.gz FWULOMACMBFYPW-CYBMUJFWSA-N 0 1 289.316 3.888 20 0 CHADMN CC(C)(C)C[C@@H]1CCCN1Cc1nccn1C(F)F ZINC000352868864 527698780 /nfs/dbraw/zinc/69/87/80/527698780.db2.gz UJQKLKQSGPFABH-NSHDSACASA-N 0 1 271.355 3.679 20 0 CHADMN FC(F)c1ccc(CNCc2cccc3c2OCO3)cc1 ZINC000131374125 527698910 /nfs/dbraw/zinc/69/89/10/527698910.db2.gz JTLJNQYCHNKPFK-UHFFFAOYSA-N 0 1 291.297 3.643 20 0 CHADMN CCC1(O)CCN(Cc2cnc(C3CCCC3)s2)CC1 ZINC000353772297 527808271 /nfs/dbraw/zinc/80/82/71/527808271.db2.gz ZYBQOFRBMUSEEF-UHFFFAOYSA-N 0 1 294.464 3.538 20 0 CHADMN CCC1CCC(N(Cc2cn(C(C)C)nn2)C2CC2)CC1 ZINC000347605716 527844274 /nfs/dbraw/zinc/84/42/74/527844274.db2.gz FXVSKQABDOPXMQ-UHFFFAOYSA-N 0 1 290.455 3.792 20 0 CHADMN CC(C)[C@H]1N(Cc2ccc(Cl)o2)CC12CCOCC2 ZINC000334826958 527897554 /nfs/dbraw/zinc/89/75/54/527897554.db2.gz RISHPZHYCICDHX-CQSZACIVSA-N 0 1 283.799 3.570 20 0 CHADMN CCO[C@H]1C[C@H](NCc2csc(C(C)C)n2)C12CCC2 ZINC000344465314 528144338 /nfs/dbraw/zinc/14/43/38/528144338.db2.gz NXEOQGVJPAPXDW-KBPBESRZSA-N 0 1 294.464 3.704 20 0 CHADMN CCN(CC)Cc1nc(-c2ccc(C)cc2)cs1 ZINC000351907221 528201482 /nfs/dbraw/zinc/20/14/82/528201482.db2.gz LSGLSBPGCCAKDB-UHFFFAOYSA-N 0 1 260.406 3.960 20 0 CHADMN CCC(=O)CCCN1CCSC[C@@H]1c1ccc(C)cc1 ZINC000347731481 528287949 /nfs/dbraw/zinc/28/79/49/528287949.db2.gz HXZMVFANYGSXFD-QGZVFWFLSA-N 0 1 291.460 3.844 20 0 CHADMN CCN(CCC1CC1)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000355035836 528426886 /nfs/dbraw/zinc/42/68/86/528426886.db2.gz IMGQUJGSGNRGIO-UHFFFAOYSA-N 0 1 289.379 3.568 20 0 CHADMN CC(C)n1cc([C@H](C)NCc2ccc3ccccc3n2)cn1 ZINC000344409358 528578253 /nfs/dbraw/zinc/57/82/53/528578253.db2.gz MWUBEDQSNWUMKN-AWEZNQCLSA-N 0 1 294.402 3.863 20 0 CHADMN CC(C)Cc1ccc(CN(C)[C@H](C)c2cnn(C)c2)cc1 ZINC000347660326 528649161 /nfs/dbraw/zinc/64/91/61/528649161.db2.gz XOGIIFRPHAVNLU-OAHLLOKOSA-N 0 1 285.435 3.812 20 0 CHADMN CCCc1nc(CN(CC)[C@H]2CCOC(C)(C)C2)cs1 ZINC000351951150 528744101 /nfs/dbraw/zinc/74/41/01/528744101.db2.gz YRNWKXXPMJMUTP-AWEZNQCLSA-N 0 1 296.480 3.875 20 0 CHADMN CCCn1c(CNCC=C(C)C)nc2ccccc21 ZINC000191631257 528818741 /nfs/dbraw/zinc/81/87/41/528818741.db2.gz XECKZOCQVSPNDX-UHFFFAOYSA-N 0 1 257.381 3.502 20 0 CHADMN CCCn1cc(CN2Cc3ccccc3C[C@@H]2CC)cn1 ZINC000344875568 528844291 /nfs/dbraw/zinc/84/42/91/528844291.db2.gz CHZNGKNODTUEPH-SFHVURJKSA-N 0 1 283.419 3.630 20 0 CHADMN CC(C)N(CC1CCC1)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000192781755 528875377 /nfs/dbraw/zinc/87/53/77/528875377.db2.gz OCAMOCQGWKBCPT-UHFFFAOYSA-N 0 1 297.402 3.727 20 0 CHADMN CCN(Cc1cnn(C)c1)Cc1ccc(C2CCC2)cc1 ZINC000350684248 528876757 /nfs/dbraw/zinc/87/67/57/528876757.db2.gz WZKXEMIVNUTTBU-UHFFFAOYSA-N 0 1 283.419 3.710 20 0 CHADMN CC(C)[C@H](C)N(Cc1ncc(Cl)s1)C1CC1 ZINC000351997849 528961125 /nfs/dbraw/zinc/96/11/25/528961125.db2.gz WAZAORFYWLETRM-VIFPVBQESA-N 0 1 258.818 3.805 20 0 CHADMN CCC[C@@H](NCc1ccc2cc[nH]c2n1)c1ccccn1 ZINC000353631410 529013616 /nfs/dbraw/zinc/01/36/16/529013616.db2.gz QCLKXOAWFPORKY-OAHLLOKOSA-N 0 1 280.375 3.589 20 0 CHADMN CCC1(CC)CCCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000348017725 529043538 /nfs/dbraw/zinc/04/35/38/529043538.db2.gz QZSCRKBIVSCTMA-UHFFFAOYSA-N 0 1 299.418 3.995 20 0 CHADMN CCC1(CC)CCN(Cc2cncc(F)c2)CC1 ZINC000347252468 529056975 /nfs/dbraw/zinc/05/69/75/529056975.db2.gz QJYDQMNXLLJQTC-UHFFFAOYSA-N 0 1 250.361 3.623 20 0 CHADMN CC[C@@H](NCc1ccc(F)cc1F)c1ccncc1 ZINC000344527033 529183724 /nfs/dbraw/zinc/18/37/24/529183724.db2.gz FVOZQLMTTIYPNY-OAHLLOKOSA-N 0 1 262.303 3.601 20 0 CHADMN CC[C@@H](N[C@@H](CCO)c1ccccc1)c1ccccc1F ZINC000352791175 529201388 /nfs/dbraw/zinc/20/13/88/529201388.db2.gz XZZDUOIVKHFDFU-MSOLQXFVSA-N 0 1 287.378 3.990 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cccc2c[nH]nc21 ZINC000354543173 529228300 /nfs/dbraw/zinc/22/83/00/529228300.db2.gz WEMHCIXHBMGDMX-WFASDCNBSA-N 0 1 285.391 3.604 20 0 CHADMN CC[C@H]1CCC[C@H]1NCc1noc(-c2ccccc2C)n1 ZINC000332149624 529234787 /nfs/dbraw/zinc/23/47/87/529234787.db2.gz GXHXOJJNLQTEHB-DZGCQCFKSA-N 0 1 285.391 3.713 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CCC(OC)CC1 ZINC000347390689 529255806 /nfs/dbraw/zinc/25/58/06/529255806.db2.gz HVTURLWDGHAXJE-HNNXBMFYSA-N 0 1 269.335 3.527 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000348483903 529267175 /nfs/dbraw/zinc/26/71/75/529267175.db2.gz PSTXEHKXJQAJHL-XJKSGUPXSA-N 0 1 299.418 3.912 20 0 CHADMN CC[C@@H]1CCC[C@@H]1NCc1noc(-c2ccccc2C)n1 ZINC000332149626 529311662 /nfs/dbraw/zinc/31/16/62/529311662.db2.gz GXHXOJJNLQTEHB-HIFRSBDPSA-N 0 1 285.391 3.713 20 0 CHADMN COc1ccc(OC)c(CN[C@H](C)c2ccccc2)c1 ZINC000019878706 567945010 /nfs/dbraw/zinc/94/50/10/567945010.db2.gz ATWCAADIFLERKE-CYBMUJFWSA-N 0 1 271.360 3.555 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCC2(C1)CCCCC2 ZINC000388348230 601833443 /nfs/dbraw/zinc/83/34/43/601833443.db2.gz DHVAKBVKERXGLV-UHFFFAOYSA-N 0 1 279.405 3.603 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCC[C@@H]2CC2CCCCC2)c1 ZINC000578777991 599849913 /nfs/dbraw/zinc/84/99/13/599849913.db2.gz BWHTXLDEKJQINF-OAHLLOKOSA-N 0 1 291.391 3.913 20 0 CHADMN CC(C)[N@@H+](Cc1cc(C(=O)[O-])co1)C1CCCCC1 ZINC000736472215 599809970 /nfs/dbraw/zinc/80/99/70/599809970.db2.gz NIXAMJUMJUOCOO-UHFFFAOYSA-N 0 1 265.353 3.521 20 0 CHADMN O=C([O-])CC[N@@H+](C/C=C\c1ccccc1)Cc1ccccc1 ZINC000692413784 599811952 /nfs/dbraw/zinc/81/19/52/599811952.db2.gz AEHPXOFXMCAZFX-GHXNOFRVSA-N 0 1 295.382 3.677 20 0 CHADMN O=C([O-])c1coc(C[N@H+](Cc2ccccc2)CC2CCC2)c1 ZINC000740268680 599850085 /nfs/dbraw/zinc/85/00/85/599850085.db2.gz JSSIPRLNJARZQU-UHFFFAOYSA-N 0 1 299.370 3.780 20 0 CHADMN O=C([O-])c1cccc(C[N@@H+](Cc2ccccc2F)C2CC2)c1 ZINC000740221610 600070891 /nfs/dbraw/zinc/07/08/91/600070891.db2.gz VOMBQJZVYYVFBT-UHFFFAOYSA-N 0 1 299.345 3.689 20 0 CHADMN C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc(F)cc1C(=O)[O-] ZINC000071264885 600085003 /nfs/dbraw/zinc/08/50/03/600085003.db2.gz OTZJKCLNUSMLFL-JTQLQIEISA-N 0 1 293.363 3.778 20 0 CHADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000316277990 600089642 /nfs/dbraw/zinc/08/96/42/600089642.db2.gz RXQHRFMWQYHWSK-CQSZACIVSA-N 0 1 299.345 3.513 20 0 CHADMN C[C@H](C[N@@H+](C)[C@@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000086807834 600367366 /nfs/dbraw/zinc/36/73/66/600367366.db2.gz GWNSCFQFNVDOEY-OLZOCXBDSA-N 0 1 271.360 3.553 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)cc1C(=O)[O-] ZINC000519603310 600449135 /nfs/dbraw/zinc/44/91/35/600449135.db2.gz JWWZAZWQRJFZAE-KRWDZBQOSA-N 0 1 289.375 3.609 20 0 CHADMN CC[C@H]1CCCCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000126352700 600574281 /nfs/dbraw/zinc/57/42/81/600574281.db2.gz AIKYRWJWTMVCHS-AWEZNQCLSA-N 0 1 279.355 3.679 20 0 CHADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CCC2(C1)CCCCC2 ZINC000314009068 600974881 /nfs/dbraw/zinc/97/48/81/600974881.db2.gz UYFVLDMALYGONA-UHFFFAOYSA-N 0 1 291.366 3.680 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])co2)CC[C@@H]1c1ccccc1 ZINC000568404098 600975171 /nfs/dbraw/zinc/97/51/71/600975171.db2.gz DLDZDTGNOKFLLY-DYVFJYSZSA-N 0 1 299.370 3.603 20 0 CHADMN Cc1cccc([C@@H](C)[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000832966325 601002210 /nfs/dbraw/zinc/00/22/10/601002210.db2.gz NJKKIIWQLVHLES-CYBMUJFWSA-N 0 1 281.355 3.770 20 0 CHADMN C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccccc2)[C@@H]1c1ccccc1 ZINC000828410723 601045095 /nfs/dbraw/zinc/04/50/95/601045095.db2.gz CAPPDWIWKJUMTP-XOKHGSTOSA-N 0 1 281.355 3.505 20 0 CHADMN C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2ccccc2)[C@H]1c1ccccc1 ZINC000828410726 601045119 /nfs/dbraw/zinc/04/51/19/601045119.db2.gz CAPPDWIWKJUMTP-XYPHTWIQSA-N 0 1 281.355 3.505 20 0 CHADMN C/C(=C/C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000825741932 601053693 /nfs/dbraw/zinc/05/36/93/601053693.db2.gz SYNKXBIKFWKVRW-GQPJMJRUSA-N 0 1 298.386 3.726 20 0 CHADMN C[C@@H]1c2ccccc2C[N@H+]1[C@@H](C(=O)[O-])c1ccccc1F ZINC000828526839 601116475 /nfs/dbraw/zinc/11/64/75/601116475.db2.gz DZZZSRCSUJAWKX-BDJLRTHQSA-N 0 1 285.318 3.528 20 0 CHADMN C[C@H]1c2ccccc2C[N@H+]1[C@H](C(=O)[O-])c1ccccc1F ZINC000828526842 601116784 /nfs/dbraw/zinc/11/67/84/601116784.db2.gz DZZZSRCSUJAWKX-ZBEGNZNMSA-N 0 1 285.318 3.528 20 0 CHADMN C[N@@H+](Cc1cc2ccccc2o1)Cc1cccc(C(=O)[O-])c1 ZINC000830845466 601120266 /nfs/dbraw/zinc/12/02/66/601120266.db2.gz ZRMUISAIIGRITA-UHFFFAOYSA-N 0 1 295.338 3.763 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000827928813 601182656 /nfs/dbraw/zinc/18/26/56/601182656.db2.gz QVHYGLSBPUEFCO-ZWNOBZJWSA-N 0 1 289.306 3.625 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000827928813 601182658 /nfs/dbraw/zinc/18/26/58/601182658.db2.gz QVHYGLSBPUEFCO-ZWNOBZJWSA-N 0 1 289.306 3.625 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C(C)C)C1CCCC1 ZINC000568098474 601415523 /nfs/dbraw/zinc/41/55/23/601415523.db2.gz GSBZHGLSXQQJJN-UHFFFAOYSA-N 0 1 279.380 3.693 20 0 CHADMN C[C@@H]1CCC[N@H+]1Cc1c2ccccc2sc1C(=O)[O-] ZINC000037911352 601428462 /nfs/dbraw/zinc/42/84/62/601428462.db2.gz ZPTIBGCLQMQBML-SNVBAGLBSA-N 0 1 275.373 3.584 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000832932154 601457839 /nfs/dbraw/zinc/45/78/39/601457839.db2.gz LVVRWPMQBMTTAU-KRWDZBQOSA-N 0 1 283.371 3.561 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)[C@H]1CCc2ccccc21 ZINC000659785746 601616697 /nfs/dbraw/zinc/61/66/97/601616697.db2.gz HJLOBCOLRMAHHR-KRWDZBQOSA-N 0 1 299.345 3.643 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1F ZINC000318282967 601624161 /nfs/dbraw/zinc/62/41/61/601624161.db2.gz LPODJFXGGIJRRE-OAHLLOKOSA-N 0 1 299.345 3.513 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000833032649 601642340 /nfs/dbraw/zinc/64/23/40/601642340.db2.gz KGPPBSZRYNVZCC-AWEZNQCLSA-N 0 1 287.384 3.702 20 0 CHADMN CCC[N@@H+](Cc1ccsc1C(=O)[O-])Cc1ccccc1 ZINC000383853390 601804308 /nfs/dbraw/zinc/80/43/08/601804308.db2.gz WOKRRWJAPMJVOW-UHFFFAOYSA-N 0 1 289.400 3.859 20 0 CHADMN C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000227825903 601918589 /nfs/dbraw/zinc/91/85/89/601918589.db2.gz CRLCYULLFCMFEX-UGSOOPFHSA-N 0 1 283.371 3.697 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])s2)Cc2ccccc21 ZINC000828455723 601937863 /nfs/dbraw/zinc/93/78/63/601937863.db2.gz FOCZARTWYPQESG-NSHDSACASA-N 0 1 287.384 3.566 20 0 CHADMN C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000109602097 601938250 /nfs/dbraw/zinc/93/82/50/601938250.db2.gz NZKOHUQGVYSVRF-SECBINFHSA-N 0 1 293.413 3.627 20 0 CHADMN C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC000109601892 601941965 /nfs/dbraw/zinc/94/19/65/601941965.db2.gz WRYQMHNHMBLRLV-VIFPVBQESA-N 0 1 281.402 3.701 20 0 CHADMN C[C@H]1c2ccccc2C[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000828527830 601962334 /nfs/dbraw/zinc/96/23/34/601962334.db2.gz PKVZBVBPUUJCJN-JTQLQIEISA-N 0 1 273.357 3.523 20 0 CHADMN C[C@H]1c2ccccc2C[N@@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000828527830 601962336 /nfs/dbraw/zinc/96/23/36/601962336.db2.gz PKVZBVBPUUJCJN-JTQLQIEISA-N 0 1 273.357 3.523 20 0 CHADMN C[C@H]1CCC[N@H+]1[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000568060380 602046555 /nfs/dbraw/zinc/04/65/55/602046555.db2.gz BPRGXAKUUDCQEX-UFBFGSQYSA-N 0 1 288.174 3.603 20 0 CHADMN CC(C)(C)[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1 ZINC000833431291 604514954 /nfs/dbraw/zinc/51/49/54/604514954.db2.gz LJMLKCLMWIRMQQ-UHFFFAOYSA-N 0 1 286.375 3.514 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833548056 604532705 /nfs/dbraw/zinc/53/27/05/604532705.db2.gz KTBGZTAEWFIQBF-SNVBAGLBSA-N 0 1 292.766 3.559 20 0 CHADMN C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135050790 604932906 /nfs/dbraw/zinc/93/29/06/604932906.db2.gz LCFATOGMFNFOFP-JSGCOSHPSA-N 0 1 293.382 3.710 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)Cc1ccccc1 ZINC000833516500 605101260 /nfs/dbraw/zinc/10/12/60/605101260.db2.gz YHKNUUNLRPWCFQ-ZDUSSCGKSA-N 0 1 298.386 3.514 20 0 CHADMN CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833471970 605106017 /nfs/dbraw/zinc/10/60/17/605106017.db2.gz QJZUFEIZGPIXLD-MRXNPFEDSA-N 0 1 286.375 3.542 20 0 CHADMN O=C([O-])Nc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)cn1 ZINC000834260137 605466688 /nfs/dbraw/zinc/46/66/88/605466688.db2.gz MRVSVMITFVBQQX-OAHLLOKOSA-N 0 1 297.358 3.509 20 0 CHADMN C/C(=C\c1ccccc1)C[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC001602736450 971426089 /nfs/dbraw/zinc/42/60/89/971426089.db2.gz VWWFBEJOAXIQGF-FYWRMAATSA-N 0 1 287.403 3.667 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000043455962 948887338 /nfs/dbraw/zinc/88/73/38/948887338.db2.gz JMOCERPZLLVGGM-UONOGXRCSA-N 0 1 255.402 3.532 20 0 CHADMN CCC(CC)C[N@@H+](CC)Cc1cccc(C(=O)[O-])c1 ZINC000048970680 948907438 /nfs/dbraw/zinc/90/74/38/948907438.db2.gz UQNJELXSMTXQOU-UHFFFAOYSA-N 0 1 263.381 3.643 20 0 CHADMN C[C@H](c1ccccc1F)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000062015316 948948808 /nfs/dbraw/zinc/94/88/08/948948808.db2.gz RQUAWPOBAFPALJ-GFCCVEGCSA-N 0 1 287.334 3.717 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC2CCCCCC2)C1 ZINC000089575386 949111060 /nfs/dbraw/zinc/11/10/60/949111060.db2.gz SKTIQXJLUXFOMY-MRXNPFEDSA-N 0 1 267.413 3.534 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094525639 949176984 /nfs/dbraw/zinc/17/69/84/949176984.db2.gz PWVPQABJWPYENC-AWEZNQCLSA-N 0 1 287.403 3.641 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CCCCc2ccccc2)C1 ZINC000122136799 949239100 /nfs/dbraw/zinc/23/91/00/949239100.db2.gz GMMFMFUQPZXCOY-SFHVURJKSA-N 0 1 289.419 3.586 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1coc2ccccc12 ZINC000161121491 949386145 /nfs/dbraw/zinc/38/61/45/949386145.db2.gz MSCYZEYKSWTIFP-CQSZACIVSA-N 0 1 287.359 3.652 20 0 CHADMN Fc1cc(F)c(F)c(CN2CCC[C@H]3CCC[C@H]32)c1 ZINC001137873901 1131427502 /nfs/dbraw/zinc/42/75/02/1131427502.db2.gz YEVXIUMNLLPJPP-QMTHXVAHSA-N 0 1 269.310 3.868 20 0 CHADMN Fc1c(CN2CCC[C@@H]3CCC[C@H]32)ccnc1Cl ZINC000823419306 1131428123 /nfs/dbraw/zinc/42/81/23/1131428123.db2.gz XYKSTQQIFKRYRB-CMPLNLGQSA-N 0 1 268.763 3.639 20 0 CHADMN CC[N@@H+](C[C@@H](C)CSc1ccccc1C)[C@H](C)C(=O)[O-] ZINC001589719373 950402599 /nfs/dbraw/zinc/40/25/99/950402599.db2.gz FFMQSZLEGVFDFX-TZMCWYRMSA-N 0 1 295.448 3.518 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cccc2ccccc21 ZINC000263477776 950483290 /nfs/dbraw/zinc/48/32/90/950483290.db2.gz FPOAJMFVAVECGP-CJNGLKHVSA-N 0 1 283.371 3.525 20 0 CHADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cccc2ccccc21 ZINC000263477777 950483572 /nfs/dbraw/zinc/48/35/72/950483572.db2.gz FPOAJMFVAVECGP-CZUORRHYSA-N 0 1 283.371 3.525 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1sccc1Cl ZINC000306092030 950594462 /nfs/dbraw/zinc/59/44/62/950594462.db2.gz MDRIQZYSMXEJPO-SNVBAGLBSA-N 0 1 287.812 3.621 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000334585524 951130758 /nfs/dbraw/zinc/13/07/58/951130758.db2.gz SEFXFCLYWJBMAB-BMIGLBTASA-N 0 1 295.810 3.642 20 0 CHADMN C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000382111549 971799488 /nfs/dbraw/zinc/79/94/88/971799488.db2.gz KYWWLNJGXSUXEW-GRYCIOLGSA-N 0 1 295.810 3.905 20 0 CHADMN CC[C@H]1CCCN(Cc2csc(-c3ccccn3)n2)C1 ZINC000127111954 1125460123 /nfs/dbraw/zinc/46/01/23/1125460123.db2.gz GJIZVFIVSBSZOA-ZDUSSCGKSA-N 0 1 287.432 3.827 20 0 CHADMN C[C@H]1CC(CC[N@H+]2CCC[C@@H](CC(=O)[O-])C2)C[C@H](C)C1 ZINC000532881976 953567674 /nfs/dbraw/zinc/56/76/74/953567674.db2.gz SCOUXGHSUODCLJ-FMKPAKJESA-N 0 1 281.440 3.636 20 0 CHADMN CC(C)[C@H](C[N@H+]1CCC[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000563943418 953601521 /nfs/dbraw/zinc/60/15/21/953601521.db2.gz DTWZVXHHFJTOFS-WBVHZDCISA-N 0 1 289.419 3.613 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@@H+](CC(=O)[O-])C1CCC1 ZINC000656101879 954298361 /nfs/dbraw/zinc/29/83/61/954298361.db2.gz XDDMYQLEVQYLAL-CYBMUJFWSA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000676232864 954585494 /nfs/dbraw/zinc/58/54/94/954585494.db2.gz IYZQBUFDNXQGCJ-MRXNPFEDSA-N 0 1 297.398 3.569 20 0 CHADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@H](Cc2ccc(C(C)C)cc2)C1 ZINC001589444875 954747334 /nfs/dbraw/zinc/74/73/34/954747334.db2.gz HFDVFVXCUVLJAO-NVXWUHKLSA-N 0 1 289.419 3.538 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC001589444877 954747627 /nfs/dbraw/zinc/74/76/27/954747627.db2.gz HFDVFVXCUVLJAO-RDJZCZTQSA-N 0 1 289.419 3.538 20 0 CHADMN FC1(F)CCC[C@H]1N[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171022207 1131434396 /nfs/dbraw/zinc/43/43/96/1131434396.db2.gz KHGDSKQVZHKLGL-BXUZGUMPSA-N 0 1 285.765 3.975 20 0 CHADMN C[C@]1(C(=O)[O-])CC[N@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000388224539 972161297 /nfs/dbraw/zinc/16/12/97/972161297.db2.gz IJDVRJGEXDLQMC-IBGZPJMESA-N 0 1 295.382 3.573 20 0 CHADMN CCc1ccccc1C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000388593095 972180448 /nfs/dbraw/zinc/18/04/48/972180448.db2.gz TWDYIOVHBRREJI-UHFFFAOYSA-N 0 1 295.382 3.506 20 0 CHADMN C[C@]1(C(=O)[O-])CCC[N@H+]1CCCc1cccc2ccccc21 ZINC001589186964 956563152 /nfs/dbraw/zinc/56/31/52/956563152.db2.gz KPWBRXMPDJBRCX-LJQANCHMSA-N 0 1 297.398 3.712 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC000903696565 956884812 /nfs/dbraw/zinc/88/48/12/956884812.db2.gz JQCRBPFHWQJVLW-NSHDSACASA-N 0 1 297.345 3.603 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@@H]2c2ccsc2)CCC1 ZINC000903696664 956885068 /nfs/dbraw/zinc/88/50/68/956885068.db2.gz LDPXETAFDDUWFF-CYBMUJFWSA-N 0 1 279.405 3.530 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(Cl)c(C)c2)C1 ZINC000904401589 956956120 /nfs/dbraw/zinc/95/61/20/956956120.db2.gz RGPSMQNJRDTXHS-MRXNPFEDSA-N 0 1 295.810 3.725 20 0 CHADMN Cc1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)cc1C ZINC000049669071 957480052 /nfs/dbraw/zinc/48/00/52/957480052.db2.gz APAWHEUWZPJMEP-UHFFFAOYSA-N 0 1 283.371 3.634 20 0 CHADMN O=C([O-])[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccccc1 ZINC000061329329 957579568 /nfs/dbraw/zinc/57/95/68/957579568.db2.gz KBCUQXZEPDNLKY-ZFWWWQNUSA-N 0 1 287.384 3.541 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000062015359 957597336 /nfs/dbraw/zinc/59/73/36/957597336.db2.gz GOWROOPKBBETQC-JTQLQIEISA-N 0 1 291.322 3.618 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000062015359 957597344 /nfs/dbraw/zinc/59/73/44/957597344.db2.gz GOWROOPKBBETQC-JTQLQIEISA-N 0 1 291.322 3.618 20 0 CHADMN C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(C(=O)[O-])ccc1F ZINC000062755144 957609617 /nfs/dbraw/zinc/60/96/17/957609617.db2.gz XSQNXDCAUSINCQ-XHDPSFHLSA-N 0 1 279.355 3.534 20 0 CHADMN C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC000062755137 957610292 /nfs/dbraw/zinc/61/02/92/957610292.db2.gz MXLHNKPMJRQFFV-ABAIWWIYSA-N 0 1 279.355 3.534 20 0 CHADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1CC1CCCCCC1 ZINC000089575400 958074499 /nfs/dbraw/zinc/07/44/99/958074499.db2.gz NINIWDGSGCJVSM-QGZVFWFLSA-N 0 1 287.403 3.641 20 0 CHADMN CCC1CCC([N@@H+](C)Cc2ccsc2C(=O)[O-])CC1 ZINC000110956007 958403588 /nfs/dbraw/zinc/40/35/88/958403588.db2.gz RYOAEKJHJWHVHU-UHFFFAOYSA-N 0 1 281.421 3.847 20 0 CHADMN CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000111781345 958439968 /nfs/dbraw/zinc/43/99/68/958439968.db2.gz HBGOKISZOVOENT-HOCLYGCPSA-N 0 1 275.392 3.785 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001594382836 958647157 /nfs/dbraw/zinc/64/71/57/958647157.db2.gz JPUPTJLPGVTQFH-CZUORRHYSA-N 0 1 297.398 3.691 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000129194175 958695209 /nfs/dbraw/zinc/69/52/09/958695209.db2.gz RWYTWFIJNGKMDR-PBHICJAKSA-N 0 1 289.419 3.714 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2cccc(O)c2)cc1F ZINC000109783685 1125469523 /nfs/dbraw/zinc/46/95/23/1125469523.db2.gz IAHSNHCTDIKPMD-LBPRGKRZSA-N 0 1 289.350 3.733 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000155973844 959045075 /nfs/dbraw/zinc/04/50/75/959045075.db2.gz BEXYEBHNUOGPQW-GWCFXTLKSA-N 0 1 281.421 3.765 20 0 CHADMN Fc1ccc([C@H](N[C@@H]2C[C@@H]2C(F)F)c2cccnc2)cc1 ZINC000348285869 1125470583 /nfs/dbraw/zinc/47/05/83/1125470583.db2.gz XIBCXHVRHQOGCT-ZNMIVQPWSA-N 0 1 292.304 3.553 20 0 CHADMN CC(C)[N@@H+](CCCCC(=O)[O-])Cc1cccc(Cl)c1 ZINC000181545643 959438132 /nfs/dbraw/zinc/43/81/32/959438132.db2.gz WYFIWELSUXNKIW-UHFFFAOYSA-N 0 1 283.799 3.805 20 0 CHADMN Cc1ccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1C ZINC000230059197 960123636 /nfs/dbraw/zinc/12/36/36/960123636.db2.gz ISVLIXJPCPXTMK-ULQDDVLXSA-N 0 1 287.403 3.521 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001573750108 960549377 /nfs/dbraw/zinc/54/93/77/960549377.db2.gz ZLORGNPMFINEGN-OUAUKWLOSA-N 0 1 299.773 3.583 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001573768265 960639493 /nfs/dbraw/zinc/63/94/93/960639493.db2.gz LAGBBRYYHFULAI-QGZVFWFLSA-N 0 1 287.403 3.736 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000251349452 961247634 /nfs/dbraw/zinc/24/76/34/961247634.db2.gz NNXOTVBPNTUPRY-KBPBESRZSA-N 0 1 255.402 3.532 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1Cc1nnc(C(C)(C)C)o1 ZINC000072775457 1117813796 /nfs/dbraw/zinc/81/37/96/1117813796.db2.gz PMQZETYLFGDCSI-CHWSQXEVSA-N 0 1 279.428 3.768 20 0 CHADMN Cc1ncc(CN[C@@H]2CSCc3ccccc32)s1 ZINC000040997827 1117835047 /nfs/dbraw/zinc/83/50/47/1117835047.db2.gz HTSDCGJQFFHSDZ-CQSZACIVSA-N 0 1 276.430 3.529 20 0 CHADMN CC[C@@H]1CCC[C@@H](C[N@@H+](C)Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC001331923609 961409733 /nfs/dbraw/zinc/40/97/33/961409733.db2.gz BGWVLKJCLWGTIU-ZIAGYGMSSA-N 0 1 293.407 3.934 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2cccc3ccoc32)C1 ZINC001332406553 961560611 /nfs/dbraw/zinc/56/06/11/961560611.db2.gz NMWAMGFTJLMSSL-ZDUSSCGKSA-N 0 1 287.359 3.510 20 0 CHADMN CCc1nnc([C@H](C)[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)o1 ZINC000129763336 1125478399 /nfs/dbraw/zinc/47/83/99/1125478399.db2.gz ZXUUTXTWYUADSU-YCPHGPKFSA-N 0 1 299.418 3.819 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@H](c3ccccc3)[C@H](C)C2)o1 ZINC000129763336 1125478400 /nfs/dbraw/zinc/47/84/00/1125478400.db2.gz ZXUUTXTWYUADSU-YCPHGPKFSA-N 0 1 299.418 3.819 20 0 CHADMN CCC[N@H+](CC(=O)[O-])CC(c1ccccc1)c1ccccc1 ZINC000262584559 961780944 /nfs/dbraw/zinc/78/09/44/961780944.db2.gz ZNRNMULPJZQNGG-UHFFFAOYSA-N 0 1 297.398 3.615 20 0 CHADMN FC(F)O[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000579856397 1117929198 /nfs/dbraw/zinc/92/91/98/1117929198.db2.gz YUMLMLQIHXOILM-NSHDSACASA-N 0 1 295.251 3.519 20 0 CHADMN C[N@@H+](CC1CCCC1)[C@H](C(=O)[O-])c1ccccc1Cl ZINC001346239062 962329908 /nfs/dbraw/zinc/32/99/08/962329908.db2.gz GGALQRFIXNUAQO-AWEZNQCLSA-N 0 1 281.783 3.588 20 0 CHADMN COCCC1CCN(Cc2ccc(C)c(F)c2F)CC1 ZINC001137968364 1131444146 /nfs/dbraw/zinc/44/41/46/1131444146.db2.gz BOCPMBALBKOWCP-UHFFFAOYSA-N 0 1 283.362 3.522 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)oc1C ZINC000111306205 1125482218 /nfs/dbraw/zinc/48/22/18/1125482218.db2.gz JGVLTLCOKGBDCR-CQSZACIVSA-N 0 1 290.794 3.934 20 0 CHADMN COc1ccccc1[C@H](C)N(C)C[C@@H](C)C(F)(F)F ZINC001208906406 1117962123 /nfs/dbraw/zinc/96/21/23/1117962123.db2.gz WCHJEZNGDSGGGE-MNOVXSKESA-N 0 1 275.314 3.886 20 0 CHADMN O=C([O-])CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC001574702163 962685702 /nfs/dbraw/zinc/68/57/02/962685702.db2.gz OWICYQUDPDICRD-BRWVUGGUSA-N 0 1 287.403 3.509 20 0 CHADMN CSC1(CNCc2c(F)ccc(F)c2Cl)CCC1 ZINC000705523250 1117991097 /nfs/dbraw/zinc/99/10/97/1117991097.db2.gz GPDYNLNJSDDRHK-UHFFFAOYSA-N 0 1 291.794 3.994 20 0 CHADMN CC(C)N(Cc1cccs1)[C@H](c1nccn1C)C1CC1 ZINC000637915213 1129236663 /nfs/dbraw/zinc/23/66/63/1129236663.db2.gz UQTYDDSNEMPSGB-HNNXBMFYSA-N 0 1 289.448 3.843 20 0 CHADMN CS[C@@H]1CCCCN(Cc2ncc(C(C)C)s2)C1 ZINC000183128040 1118038382 /nfs/dbraw/zinc/03/83/82/1118038382.db2.gz YZQCMSKBPCOAOB-GFCCVEGCSA-N 0 1 284.494 3.984 20 0 CHADMN Cc1csc([C@@H](C)NCCOc2ccc(Cl)cc2)n1 ZINC000184140715 1118051015 /nfs/dbraw/zinc/05/10/15/1118051015.db2.gz VILUEWKXYIIXHS-LLVKDONJSA-N 0 1 296.823 3.835 20 0 CHADMN CCc1cccc(Cl)c1C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000568052487 968436844 /nfs/dbraw/zinc/43/68/44/968436844.db2.gz QUBGGMWVXXROHL-GFCCVEGCSA-N 0 1 295.810 3.589 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@@H](C)CC(C)(C)C)C1 ZINC000709274398 969039229 /nfs/dbraw/zinc/03/92/29/969039229.db2.gz BMKDIHLVEXGDER-BBRMVZONSA-N 0 1 269.429 3.636 20 0 CHADMN C[N@@H+](CCCCc1ccccc1)CCC1(C(=O)[O-])CCC1 ZINC000903696756 969590343 /nfs/dbraw/zinc/59/03/43/969590343.db2.gz NWURYZKKGYSJHF-UHFFFAOYSA-N 0 1 289.419 3.586 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@H+](CCCCc1ccccc1)C2 ZINC000317253322 970343096 /nfs/dbraw/zinc/34/30/96/970343096.db2.gz AVUOWCSAFTZYJZ-UHFFFAOYSA-N 0 1 295.382 3.723 20 0 CHADMN Cc1c(Cl)ccc(C[N@H+](CC(=O)[O-])C(C)C)c1Cl ZINC001605081425 972715424 /nfs/dbraw/zinc/71/54/24/972715424.db2.gz FONWJTSQLSILBB-UHFFFAOYSA-N 0 1 290.190 3.597 20 0 CHADMN O=C([O-])C[N@@H+](CCC1CCCCCC1)C1CCCC1 ZINC000394533160 972717485 /nfs/dbraw/zinc/71/74/85/972717485.db2.gz LZENZMKIZMUSNB-UHFFFAOYSA-N 0 1 267.413 3.676 20 0 CHADMN CC(C)[N@@H+](CCCC1CCCCC1)CCC(=O)[O-] ZINC000395199892 972780812 /nfs/dbraw/zinc/78/08/12/972780812.db2.gz LVPHMOBBNNAUTQ-UHFFFAOYSA-N 0 1 255.402 3.532 20 0 CHADMN Clc1ccc(CN2CC[C@H]3OCC[C@@H]3C2)c(Cl)c1 ZINC001203392995 1118122756 /nfs/dbraw/zinc/12/27/56/1118122756.db2.gz ROMOMUYALZUIQD-BXUZGUMPSA-N 0 1 286.202 3.604 20 0 CHADMN O=C([O-])C[N@H+](Cc1ccc(C2CC2)c(C2CC2)c1)CC1CC1 ZINC001606229512 973484704 /nfs/dbraw/zinc/48/47/04/973484704.db2.gz BENICWQDNWEBOP-UHFFFAOYSA-N 0 1 299.414 3.738 20 0 CHADMN CC[N@@H+](Cc1ccccc1)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000565103012 974568869 /nfs/dbraw/zinc/56/88/69/974568869.db2.gz LEKZJKPRUHPJDJ-CYBMUJFWSA-N 0 1 287.359 3.869 20 0 CHADMN CC[C@H](C)C[N@@H+](C)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000565106307 974572179 /nfs/dbraw/zinc/57/21/79/974572179.db2.gz WPBGGUMUQISQLE-ZANVPECISA-N 0 1 287.762 3.583 20 0 CHADMN CCC(C)(C)c1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000565838818 974589801 /nfs/dbraw/zinc/58/98/01/974589801.db2.gz RWQCABFVHCASLN-BBRMVZONSA-N 0 1 289.419 3.669 20 0 CHADMN CCOC(=O)CN(CCC1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC001167267849 1118135215 /nfs/dbraw/zinc/13/52/15/1118135215.db2.gz LQONJLBFVNQLMU-HUUCEWRRSA-N 0 1 283.456 3.722 20 0 CHADMN Cc1ccc(C)c(C[N@@H+](C)[C@H](C(=O)[O-])c2ccsc2)c1 ZINC000566361557 974609392 /nfs/dbraw/zinc/60/93/92/974609392.db2.gz IMQUVITUPXSLHL-HNNXBMFYSA-N 0 1 289.400 3.623 20 0 CHADMN Cc1ccc(C)c(C[N@H+](C)[C@H](C(=O)[O-])c2ccsc2)c1 ZINC000566361557 974609394 /nfs/dbraw/zinc/60/93/94/974609394.db2.gz IMQUVITUPXSLHL-HNNXBMFYSA-N 0 1 289.400 3.623 20 0 CHADMN Cc1ccc(C)c(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000566361563 974609711 /nfs/dbraw/zinc/60/97/11/974609711.db2.gz IMQUVITUPXSLHL-OAHLLOKOSA-N 0 1 289.400 3.623 20 0 CHADMN Cc1ccc(C)c(C[N@H+](C)[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000566361563 974609716 /nfs/dbraw/zinc/60/97/16/974609716.db2.gz IMQUVITUPXSLHL-OAHLLOKOSA-N 0 1 289.400 3.623 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000566362060 974610768 /nfs/dbraw/zinc/61/07/68/974610768.db2.gz PERQVXGSNVCOQA-WFASDCNBSA-N 0 1 295.810 3.978 20 0 CHADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000569010464 974682939 /nfs/dbraw/zinc/68/29/39/974682939.db2.gz NGROXCSYWCNLGL-JTQLQIEISA-N 0 1 281.783 3.659 20 0 CHADMN Cc1ccc([C@H]2CCCC[N@H+]2CC2(CC(=O)[O-])CC2)cc1 ZINC000570100646 974705159 /nfs/dbraw/zinc/70/51/59/974705159.db2.gz UKJSKEDMGJKFRS-MRXNPFEDSA-N 0 1 287.403 3.777 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1ccc(C2CCCC2)cc1 ZINC000570689655 974716758 /nfs/dbraw/zinc/71/67/58/974716758.db2.gz RGERHVPRPDKZIS-QGZVFWFLSA-N 0 1 287.403 3.783 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000570851623 974720119 /nfs/dbraw/zinc/72/01/19/974720119.db2.gz LNERYMVTYWQXRD-CQSZACIVSA-N 0 1 291.391 3.913 20 0 CHADMN C[C@@H](C[N@@H+]([C@H](C)C(=O)[O-])C1CCC1)C1CCCCC1 ZINC000572618755 974751437 /nfs/dbraw/zinc/75/14/37/974751437.db2.gz IEQXPJRQNQDHFB-QWHCGFSZSA-N 0 1 267.413 3.530 20 0 CHADMN CCC[N@H+](Cc1nc(C(=O)[O-])cs1)CC1CCCCC1 ZINC000580083630 974888854 /nfs/dbraw/zinc/88/88/54/974888854.db2.gz CNKPMNAMBCPYRJ-UHFFFAOYSA-N 0 1 296.436 3.634 20 0 CHADMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000580085462 974888906 /nfs/dbraw/zinc/88/89/06/974888906.db2.gz TYISVIBOHKTYAO-GHMZBOCLSA-N 0 1 281.783 3.659 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000629360586 975082179 /nfs/dbraw/zinc/08/21/79/975082179.db2.gz SXFBFPQSVCTELZ-PBHICJAKSA-N 0 1 289.419 3.714 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)C1CCCCC1 ZINC000629371898 975087277 /nfs/dbraw/zinc/08/72/77/975087277.db2.gz QXXHUAWYXHPCSP-UKRRQHHQSA-N 0 1 269.429 3.778 20 0 CHADMN O=C([O-])[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000634697271 975274481 /nfs/dbraw/zinc/27/44/81/975274481.db2.gz FFSYPSZEPSOWHV-NVXWUHKLSA-N 0 1 287.403 3.715 20 0 CHADMN O=C([O-])[C@@H](c1ccccc1)[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000634697270 975274519 /nfs/dbraw/zinc/27/45/19/975274519.db2.gz FFSYPSZEPSOWHV-DOTOQJQBSA-N 0 1 287.403 3.715 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H]2c2ccsc2)oc1C(=O)[O-] ZINC000652390039 975518523 /nfs/dbraw/zinc/51/85/23/975518523.db2.gz YMFUSUIYHRNQJH-ZDUSSCGKSA-N 0 1 291.372 3.685 20 0 CHADMN O=C([O-])c1occc1C[N@H+]1CCCC2(CCCCC2)CC1 ZINC000652429338 975528280 /nfs/dbraw/zinc/52/82/80/975528280.db2.gz KLEHGWCSSFEOKF-UHFFFAOYSA-N 0 1 291.391 3.914 20 0 CHADMN Cc1cc(C[N@@H+](C)Cc2cc(C(=O)[O-])c(C)o2)c(C)s1 ZINC000652454341 975539524 /nfs/dbraw/zinc/53/95/24/975539524.db2.gz NWAIFFCXZDECKT-UHFFFAOYSA-N 0 1 293.388 3.597 20 0 CHADMN Cc1cccc(CCC[N@@H+](CC(=O)[O-])C2CCCCC2)c1 ZINC000652482355 975549511 /nfs/dbraw/zinc/54/95/11/975549511.db2.gz XQOFBUWCAKXEML-UHFFFAOYSA-N 0 1 289.419 3.647 20 0 CHADMN O=C([O-])c1cccc2c1C[N@@H+](CCCC1CCCC1)CC2 ZINC000652487360 975554826 /nfs/dbraw/zinc/55/48/26/975554826.db2.gz BRTUUAJZWASOHD-UHFFFAOYSA-N 0 1 287.403 3.713 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2CC2CCCC2)cc1 ZINC000655937221 975637870 /nfs/dbraw/zinc/63/78/70/975637870.db2.gz WQIHRFBCBLYEAT-QGZVFWFLSA-N 0 1 287.403 3.930 20 0 CHADMN COc1ccc(C(C)C)cc1C[N@@H+](CCC(=O)[O-])C(C)C ZINC000656190552 975643916 /nfs/dbraw/zinc/64/39/16/975643916.db2.gz IWLJCJCMUPYXJS-UHFFFAOYSA-N 0 1 293.407 3.504 20 0 CHADMN Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000656756080 975682939 /nfs/dbraw/zinc/68/29/39/975682939.db2.gz BBEPQKWSTTZXOM-HNNXBMFYSA-N 0 1 275.392 3.695 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)cs1 ZINC000656761636 975688145 /nfs/dbraw/zinc/68/81/45/975688145.db2.gz SVTUQGPCGQOMHS-CQSZACIVSA-N 0 1 293.432 3.849 20 0 CHADMN O=C([O-])[C@@H](c1ccsc1)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656760798 975688981 /nfs/dbraw/zinc/68/89/81/975688981.db2.gz HYYHHOYZIJSTFH-DZGCQCFKSA-N 0 1 293.432 3.776 20 0 CHADMN O=C([O-])[C@]12C[N@@H+](CCCC3CCCC3)C[C@H]1CCCC2 ZINC000659799525 975890837 /nfs/dbraw/zinc/89/08/37/975890837.db2.gz JCULCXRUBYSUFV-NVXWUHKLSA-N 0 1 279.424 3.534 20 0 CHADMN CCC(CC)CCC[N@@H+](C)Cc1ccoc1C(=O)[O-] ZINC000659801986 975891617 /nfs/dbraw/zinc/89/16/17/975891617.db2.gz OHXUJGRCDUBCIT-UHFFFAOYSA-N 0 1 267.369 3.626 20 0 CHADMN Cc1cc([C@H](C)[N@H+]2CCC[C@@H](C3CCC3)C2)oc1C(=O)[O-] ZINC000659802277 975892446 /nfs/dbraw/zinc/89/24/46/975892446.db2.gz QFYVCTJPNATORL-GXTWGEPZSA-N 0 1 291.391 3.859 20 0 CHADMN CC(C)c1[nH]c(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1C(=O)[O-] ZINC001591912402 976343191 /nfs/dbraw/zinc/34/31/91/976343191.db2.gz MCXWPASQAMNBCI-IUODEOHRSA-N 0 1 290.407 3.601 20 0 CHADMN CC(C)c1ccc(CN(C)c2cc(C(=O)[O-])cc[nH+]2)cc1 ZINC001591954298 976523006 /nfs/dbraw/zinc/52/30/06/976523006.db2.gz QWWUKTRJCFHCRU-UHFFFAOYSA-N 0 1 284.359 3.540 20 0 CHADMN Cc1ccc(C[N@H+]2CCCC(C)(C)CC2)cc1C(=O)[O-] ZINC000701827371 977045935 /nfs/dbraw/zinc/04/59/35/977045935.db2.gz HNRBSPCKJKLOKT-UHFFFAOYSA-N 0 1 275.392 3.705 20 0 CHADMN O=C([O-])[C@]12C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@H]1CCCC2 ZINC000851708574 979578938 /nfs/dbraw/zinc/57/89/38/979578938.db2.gz IFHZFJIALMVAMM-IEBWSBKVSA-N 0 1 299.414 3.641 20 0 CHADMN C[C@@H](C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(F)cc1 ZINC000871622098 979961320 /nfs/dbraw/zinc/96/13/20/979961320.db2.gz ZJLBTGDTHLFRBF-KBPBESRZSA-N 0 1 293.382 3.506 20 0 CHADMN Cc1ccc(C[N@H+]2CCCC[C@H]2C2CCC2)cc1C(=O)[O-] ZINC000872159398 980044336 /nfs/dbraw/zinc/04/43/36/980044336.db2.gz SWDCPGJDEFNJLO-KRWDZBQOSA-N 0 1 287.403 3.848 20 0 CHADMN CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000872161997 980051755 /nfs/dbraw/zinc/05/17/55/980051755.db2.gz JVLQYWIIHONNKK-CMPLNLGQSA-N 0 1 267.394 3.599 20 0 CHADMN CCC(CC)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000901652773 980429898 /nfs/dbraw/zinc/42/98/98/980429898.db2.gz WSXJQZMJYHUURV-UHFFFAOYSA-N 0 1 299.361 3.678 20 0 CHADMN CCCCC[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C(=O)[O-] ZINC000901724760 980466173 /nfs/dbraw/zinc/46/61/73/980466173.db2.gz RIPKVTQXVNJYDJ-LLVKDONJSA-N 0 1 298.452 3.564 20 0 CHADMN Cc1cc(C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-])c(C)s1 ZINC000901838754 980557274 /nfs/dbraw/zinc/55/72/74/980557274.db2.gz LLKZZVRAHDAXFN-UHFFFAOYSA-N 0 1 297.464 3.934 20 0 CHADMN CC[C@H](C)[N@@H+](C/C=C/c1cc(C)c(C)cc1C)CC(=O)[O-] ZINC000901989061 980668808 /nfs/dbraw/zinc/66/88/08/980668808.db2.gz PLBMHKSDGVKMIS-WAVCKPEOSA-N 0 1 289.419 3.810 20 0 CHADMN C[C@H](C[N@H+](C[C@@H](C)CC1CCCCC1)C1CC1)C(=O)[O-] ZINC000901992095 980671101 /nfs/dbraw/zinc/67/11/01/980671101.db2.gz FXOBOCLDWUXHEG-UONOGXRCSA-N 0 1 281.440 3.778 20 0 CHADMN C/C(=C/c1ccccc1)C[N@H+](C)Cc1cc(C(=O)[O-])oc1C ZINC000902269544 980809921 /nfs/dbraw/zinc/80/99/21/980809921.db2.gz FWHDTVFXDFTVMY-LCYFTJDESA-N 0 1 299.370 3.822 20 0 CHADMN CCc1oc(C[N@@H+](CCC2CC2)CC2CC2)cc1C(=O)[O-] ZINC000902483636 980907031 /nfs/dbraw/zinc/90/70/31/980907031.db2.gz PEHVBBDRSXPRIL-UHFFFAOYSA-N 0 1 291.391 3.552 20 0 CHADMN CCc1oc(C[N@@H+](CCC(C)C)C2CC2)cc1C(=O)[O-] ZINC000902512151 980915867 /nfs/dbraw/zinc/91/58/67/980915867.db2.gz RQRPXKNYBOTERK-UHFFFAOYSA-N 0 1 279.380 3.551 20 0 CHADMN CC[C@H](Cc1ccccc1)[N@@H+](CC)CCC(C)(C)C(=O)[O-] ZINC000902525452 980921806 /nfs/dbraw/zinc/92/18/06/980921806.db2.gz WNOCSBPBNZEEIM-MRXNPFEDSA-N 0 1 291.435 3.831 20 0 CHADMN CC(C)CC[C@@H]1CCC[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902530551 980923878 /nfs/dbraw/zinc/92/38/78/980923878.db2.gz UOBBPLZHAIUUDS-CMUBDUJZSA-N 0 1 291.391 3.778 20 0 CHADMN CC(C)(CC[N@H+]1CC[C@H](c2ccccc2)C1(C)C)C(=O)[O-] ZINC000902533716 980924949 /nfs/dbraw/zinc/92/49/49/980924949.db2.gz NXKXWFSOMDEIFX-OAHLLOKOSA-N 0 1 289.419 3.755 20 0 CHADMN CCCC1CCC([N@@H+](C)Cc2cccc(C(=O)[O-])n2)CC1 ZINC000902534796 980926579 /nfs/dbraw/zinc/92/65/79/980926579.db2.gz GBFBUHRWNZDFKI-UHFFFAOYSA-N 0 1 290.407 3.571 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](CC2CC2)C2CCC2)cc1Cl ZINC000902540533 980926593 /nfs/dbraw/zinc/92/65/93/980926593.db2.gz GAIYKQOYMUSBQC-UHFFFAOYSA-N 0 1 293.794 3.803 20 0 CHADMN O=C([O-])/C=C\c1ccc(C[N@H+]2CCCC[C@H]2C2CCC2)o1 ZINC000902535348 980926632 /nfs/dbraw/zinc/92/66/32/980926632.db2.gz YWQXVDNEZIJKNY-YDZSZYSISA-N 0 1 289.375 3.532 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)[N@H+](CCC(C)(C)C(=O)[O-])C2)cc1 ZINC000902545987 980928125 /nfs/dbraw/zinc/92/81/25/980928125.db2.gz OMPDNORXHAOICB-GOEBONIOSA-N 0 1 289.419 3.674 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000903598377 980981335 /nfs/dbraw/zinc/98/13/35/980981335.db2.gz VYHAGNIBSHYUSI-MJBXVCDLSA-N 0 1 269.429 3.634 20 0 CHADMN CCC[N@@H+](Cc1ccccc1F)[C@H](C(=O)[O-])[C@@H](C)CC ZINC000903600724 980983209 /nfs/dbraw/zinc/98/32/09/980983209.db2.gz DAIIEHWDNUILQV-WFASDCNBSA-N 0 1 281.371 3.537 20 0 CHADMN CC(C)Cc1ccccc1C[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000903607371 980987785 /nfs/dbraw/zinc/98/77/85/980987785.db2.gz AHSVKWQFUANVOS-AWEZNQCLSA-N 0 1 289.419 3.713 20 0 CHADMN CC(C)c1ccc([C@@H](C)[N@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1 ZINC000903629854 981006115 /nfs/dbraw/zinc/00/61/15/981006115.db2.gz ZWPUHNZFOFDZKT-CKEIUWERSA-N 0 1 289.419 3.914 20 0 CHADMN C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000903631035 981007103 /nfs/dbraw/zinc/00/71/03/981007103.db2.gz JPXJGAKPJHRPNU-SUMWQHHRSA-N 0 1 299.370 3.746 20 0 CHADMN C[C@@H]1C[C@H](C)CC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000903631701 981009200 /nfs/dbraw/zinc/00/92/00/981009200.db2.gz WKJJNMDFGKJBNS-VXGBXAGGSA-N 0 1 295.810 3.906 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C(C)(C)C1 ZINC000903891160 981023743 /nfs/dbraw/zinc/02/37/43/981023743.db2.gz KATDKYPWFSPTTG-LBPRGKRZSA-N 0 1 298.386 3.553 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1C[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001595447646 981095814 /nfs/dbraw/zinc/09/58/14/981095814.db2.gz IELBAIZVUPUOFM-KFWWJZLASA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)[C@@H]1C ZINC001595464709 981152003 /nfs/dbraw/zinc/15/20/03/981152003.db2.gz UVPBTYKSCSQAFU-PWSUYJOCSA-N 0 1 281.783 3.659 20 0 CHADMN CC[C@H]1CC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)[C@@H]1C ZINC001595464847 981152680 /nfs/dbraw/zinc/15/26/80/981152680.db2.gz YGTKFVVWCZYYSX-OLZOCXBDSA-N 0 1 298.386 3.553 20 0 CHADMN FC(F)(F)CC1CN(Cc2ccc3occc3c2)C1 ZINC000656688367 1118636387 /nfs/dbraw/zinc/63/63/87/1118636387.db2.gz LLMVDXJPZINQMZ-UHFFFAOYSA-N 0 1 269.266 3.817 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1Cc1nc(Cl)ccc1C ZINC001140443761 1118668259 /nfs/dbraw/zinc/66/82/59/1118668259.db2.gz AHOQLPRPVLTOIO-GFCCVEGCSA-N 0 1 252.789 3.808 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC001595629036 981794894 /nfs/dbraw/zinc/79/48/94/981794894.db2.gz USQQBKALCPFNDG-YPMHNXCESA-N 0 1 281.421 3.774 20 0 CHADMN CC[C@](C)(C(=O)[O-])[N@@H+](CCCC(C)(C)C)CC1CC1 ZINC001594787562 981822401 /nfs/dbraw/zinc/82/24/01/981822401.db2.gz HVGSHVLEXVDRIS-MRXNPFEDSA-N 0 1 269.429 3.778 20 0 CHADMN CC[C@@](C)(C(=O)[O-])[N@@H+](CCCC1CCCC1)CC1CC1 ZINC001594788421 981836995 /nfs/dbraw/zinc/83/69/95/981836995.db2.gz XMEZMBLDEQXSBU-KRWDZBQOSA-N 0 1 281.440 3.922 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC001594876114 982212144 /nfs/dbraw/zinc/21/21/44/982212144.db2.gz KDBCPJKZDUQJLR-CYZMBNFOSA-N 0 1 281.421 3.630 20 0 CHADMN CCCC[N@@H+](Cc1cc(C(=O)[O-])no1)[C@H]1CCC[C@H](C)C1 ZINC001595749300 982422529 /nfs/dbraw/zinc/42/25/29/982422529.db2.gz WHCHZPPINUYNJE-STQMWFEESA-N 0 1 294.395 3.554 20 0 CHADMN CC(C)CCC1CCN(Cc2ccncc2F)CC1 ZINC001307533057 1125488171 /nfs/dbraw/zinc/48/81/71/1125488171.db2.gz AAGMQJBIMIQWAH-UHFFFAOYSA-N 0 1 264.388 3.869 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc2oc3ccccc3c2c1 ZINC001596314911 983746272 /nfs/dbraw/zinc/74/62/72/983746272.db2.gz QUEFINRFZZBQLL-UHFFFAOYSA-N 0 1 297.354 3.883 20 0 CHADMN CCc1noc(C)c1CN(CC)Cc1ccccc1 ZINC000162041710 1119265877 /nfs/dbraw/zinc/26/58/77/1119265877.db2.gz SUBKBCQKZAGDIF-UHFFFAOYSA-N 0 1 258.365 3.568 20 0 CHADMN CCc1nc(CN2CCC3(CCCC3)CC2)cs1 ZINC000158397774 1119447841 /nfs/dbraw/zinc/44/78/41/1119447841.db2.gz GYRMBEDTDAGWCL-UHFFFAOYSA-N 0 1 264.438 3.862 20 0 CHADMN C[C@@H]1CCCCCN1Cc1nc(C2CC2)cs1 ZINC000343558383 1119453704 /nfs/dbraw/zinc/45/37/04/1119453704.db2.gz SYQUXNLTWRYKIT-LLVKDONJSA-N 0 1 250.411 3.785 20 0 CHADMN CCC[C@H]1CCC[C@@H]1c1nc(C2(N)CCCCC2)no1 ZINC000331606252 1125495544 /nfs/dbraw/zinc/49/55/44/1125495544.db2.gz QWUCJOAPAFFYAS-STQMWFEESA-N 0 1 277.412 3.872 20 0 CHADMN CN(C)c1cccc(CN(C)Cc2ccc(Cl)o2)c1 ZINC000093845622 1119572355 /nfs/dbraw/zinc/57/23/55/1119572355.db2.gz PMKYYQWKRJYAJD-UHFFFAOYSA-N 0 1 278.783 3.631 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2CC(=O)c2ccccc2)nc1 ZINC000131856834 1125496834 /nfs/dbraw/zinc/49/68/34/1125496834.db2.gz DNMWUCXDZYYSOG-SFHVURJKSA-N 0 1 294.398 3.627 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2cnn(C)c2C)cs1 ZINC000294263554 1119625625 /nfs/dbraw/zinc/62/56/25/1119625625.db2.gz RCTQPPWKQPHSDB-QWRGUYRKSA-N 0 1 263.410 3.510 20 0 CHADMN CC(C)(C)CCCC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000114394018 1125497893 /nfs/dbraw/zinc/49/78/93/1125497893.db2.gz AGCCKAKVJITVOV-UHFFFAOYSA-N 0 1 286.379 3.627 20 0 CHADMN CC(C)(C)/C=C/C(=O)Nc1cccc(-c2cn[nH]c2)c1 ZINC000132082521 1125498817 /nfs/dbraw/zinc/49/88/17/1125498817.db2.gz JEHFRXZTJNIUOZ-BQYQJAHWSA-N 0 1 269.348 3.618 20 0 CHADMN C[C@H](NC[C@@H](OC1CCCC1)C(F)(F)F)c1ccoc1 ZINC000658123409 1119689348 /nfs/dbraw/zinc/68/93/48/1119689348.db2.gz JHTYXLCJQTUWQH-GXFFZTMASA-N 0 1 291.313 3.820 20 0 CHADMN CCc1[nH]c(C[N@H+](C)[C@H]2CCCC[C@H]2CC)cc1C(=O)[O-] ZINC001597380223 987570570 /nfs/dbraw/zinc/57/05/70/987570570.db2.gz AWCWSIMVFWOHQE-WBMJQRKESA-N 0 1 292.423 3.676 20 0 CHADMN CC(C)(C)C1=CC[N@@H+](C[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC001589726692 987912923 /nfs/dbraw/zinc/91/29/23/987912923.db2.gz LEZBLQKSKTVSGL-ZFWWWQNUSA-N 0 1 279.424 3.556 20 0 CHADMN CC(C)(C)C1=CC[N@@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC001589727093 987919390 /nfs/dbraw/zinc/91/93/90/987919390.db2.gz WAVXYMXNWFAIOY-OAHLLOKOSA-N 0 1 291.366 3.630 20 0 CHADMN CC(C)(C)C1=CC[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC001589727093 987919397 /nfs/dbraw/zinc/91/93/97/987919397.db2.gz WAVXYMXNWFAIOY-OAHLLOKOSA-N 0 1 291.366 3.630 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccsc2)C1 ZINC001589733183 987974197 /nfs/dbraw/zinc/97/41/97/987974197.db2.gz XOPZGDNNDCSPRM-OLZOCXBDSA-N 0 1 281.421 3.632 20 0 CHADMN CC(C)(C)C[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC001589764746 988107890 /nfs/dbraw/zinc/10/78/90/988107890.db2.gz VTUWKYAOHILWRE-IUODEOHRSA-N 0 1 293.382 3.710 20 0 CHADMN CC[N@@H+](Cc1ccsc1C(F)(F)F)[C@H]1CCCOC1 ZINC000628324853 1119833195 /nfs/dbraw/zinc/83/31/95/1119833195.db2.gz LTIWDROXJROAFJ-NSHDSACASA-N 0 1 293.354 3.768 20 0 CHADMN CCN(Cc1ccsc1C(F)(F)F)[C@H]1CCCOC1 ZINC000628324853 1119833197 /nfs/dbraw/zinc/83/31/97/1119833197.db2.gz LTIWDROXJROAFJ-NSHDSACASA-N 0 1 293.354 3.768 20 0 CHADMN CC(C)c1nnc(CN2C[C@@H](c3ccccc3)C[C@H]2C)o1 ZINC000115555160 1125504856 /nfs/dbraw/zinc/50/48/56/1125504856.db2.gz NBQVPKPELPMVAA-HIFRSBDPSA-N 0 1 285.391 3.571 20 0 CHADMN Cc1ccc(CN[C@H](c2ncccc2C)C(C)C)o1 ZINC000115622905 1125505353 /nfs/dbraw/zinc/50/53/53/1125505353.db2.gz BVJBIFHTFPWKMY-HNNXBMFYSA-N 0 1 258.365 3.778 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC001597761669 989191104 /nfs/dbraw/zinc/19/11/04/989191104.db2.gz QSSNSCBIIWHAQB-WCQYABFASA-N 0 1 279.380 3.551 20 0 CHADMN COc1cc(Nc2ccc3[nH]c(C)nc3c2)ccc1C(C)=O ZINC001213075255 1125505640 /nfs/dbraw/zinc/50/56/40/1125505640.db2.gz LFIFHGBDXBZCIA-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C3CC3)c(C3CC3)c2)C[C@H]1C(=O)[O-] ZINC001599866421 989270285 /nfs/dbraw/zinc/27/02/85/989270285.db2.gz AEMVBSRWIXSQGB-KZULUSFZSA-N 0 1 299.414 3.594 20 0 CHADMN CC[C@H](N[C@H](C)c1csc(C(C)C)n1)[C@@H](O)C(C)C ZINC000414294547 1119969378 /nfs/dbraw/zinc/96/93/78/1119969378.db2.gz NAUVOEYNDXVEBN-DYEKYZERSA-N 0 1 284.469 3.713 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@H+]1CC1(C(=O)[O-])CC1 ZINC001599879887 989470160 /nfs/dbraw/zinc/47/01/60/989470160.db2.gz LBIXNNOXOJHIFO-UKRRQHHQSA-N 0 1 287.403 3.508 20 0 CHADMN CCC(CC)CCC[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000659801882 1120113133 /nfs/dbraw/zinc/11/31/33/1120113133.db2.gz LXDJVOCOPWKONS-UHFFFAOYSA-N 0 1 267.369 3.626 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001591087857 991614120 /nfs/dbraw/zinc/61/41/20/991614120.db2.gz UCKRGKPJAMCVLV-CYBMUJFWSA-N 0 1 295.810 3.906 20 0 CHADMN CC(C)[C@H]1CCCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1F ZINC001591088717 991625167 /nfs/dbraw/zinc/62/51/67/991625167.db2.gz LCQYQTMWYLSVSJ-MRXNPFEDSA-N 0 1 293.382 3.925 20 0 CHADMN CC(C)[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C(=O)[O-])s2)[C@@H]1C(C)C ZINC001591093363 991657537 /nfs/dbraw/zinc/65/75/37/991657537.db2.gz RHQXABRNOBBBRB-GMXVVIOVSA-N 0 1 296.436 3.515 20 0 CHADMN C[N@@H+](C[C@@H]1CCCC(C)(C)C1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598453448 991914439 /nfs/dbraw/zinc/91/44/39/991914439.db2.gz JMRBGQXXJBPXDS-ZBFHGGJFSA-N 0 1 289.419 3.961 20 0 CHADMN CC(C)C[C@H]1CCC[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001591207279 992038561 /nfs/dbraw/zinc/03/85/61/992038561.db2.gz HKJLMVJYAZUBPT-WBTMPAOCSA-N 0 1 291.391 3.636 20 0 CHADMN C[N@@H+](CCC1CCCCC1)C[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598472808 992053309 /nfs/dbraw/zinc/05/33/09/992053309.db2.gz UCHNVEBZKPFYAB-CVEARBPZSA-N 0 1 281.440 3.780 20 0 CHADMN CC(C)C[N@@H+](Cc1occc1C(=O)[O-])Cc1ccccc1 ZINC001591344137 992328270 /nfs/dbraw/zinc/32/82/70/992328270.db2.gz OWSMRXAABFVYHE-UHFFFAOYSA-N 0 1 287.359 3.636 20 0 CHADMN C[N@@H+](Cc1cc(C(=O)[O-])co1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001598507917 992531651 /nfs/dbraw/zinc/53/16/51/992531651.db2.gz XAUUWJAYKTXADT-DLBZAZTESA-N 0 1 299.370 3.746 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](C)c2cccc(O)c2)s1 ZINC000677755935 1120256087 /nfs/dbraw/zinc/25/60/87/1120256087.db2.gz ZOJMTKDVEXXUOW-UWVGGRQHSA-N 0 1 262.378 3.569 20 0 CHADMN CC(C)[N@@H+](C[C@@H]1CCCC[C@H]1C(=O)[O-])C1CCCC1 ZINC001591574685 992784833 /nfs/dbraw/zinc/78/48/33/992784833.db2.gz RPHHEDLAYSZYLX-DZGCQCFKSA-N 0 1 267.413 3.530 20 0 CHADMN C[N@@H+](Cc1ccoc1C(=O)[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC001598532299 992796321 /nfs/dbraw/zinc/79/63/21/992796321.db2.gz FLKATESYQGIJQE-CHWSQXEVSA-N 0 1 279.380 3.624 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C2(C(=O)[O-])CC2)cc1)C1CCC1 ZINC001591597077 992826145 /nfs/dbraw/zinc/82/61/45/992826145.db2.gz WSDXPDTYSMXKIU-UHFFFAOYSA-N 0 1 287.403 3.566 20 0 CHADMN CC(C)[N@@H+](Cc1occc1C(=O)[O-])[C@H](C)c1ccccc1 ZINC001591604552 992844592 /nfs/dbraw/zinc/84/45/92/992844592.db2.gz XPYBWZDGXDVJNS-CYBMUJFWSA-N 0 1 287.359 3.949 20 0 CHADMN CC(C)[N@H+]1CCCC[C@H]1CSc1ccc(C(=O)[O-])cc1 ZINC001591628989 992916731 /nfs/dbraw/zinc/91/67/31/992916731.db2.gz CXIOXLJLENNOMZ-AWEZNQCLSA-N 0 1 293.432 3.740 20 0 CHADMN C[C@H]([NH2+]Cc1ccc(C(C)(C)C)o1)c1cc(C(=O)[O-])co1 ZINC001593295995 994693579 /nfs/dbraw/zinc/69/35/79/994693579.db2.gz JBQOPUNMIWQZLV-JTQLQIEISA-N 0 1 291.347 3.719 20 0 CHADMN O=C(Nc1cccc(Cl)c1)c1ccc(O)c(Cl)c1 ZINC000019839491 1120472098 /nfs/dbraw/zinc/47/20/98/1120472098.db2.gz OQHDUZBWORQEMG-UHFFFAOYSA-N 0 1 282.126 3.951 20 0 CHADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+](C)[C@H](C)C1CCCCC1 ZINC001593732833 996316325 /nfs/dbraw/zinc/31/63/25/996316325.db2.gz ABEZMPUUFGTZAL-GHMZBOCLSA-N 0 1 296.436 3.803 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCCC[C@@H]1c1nc(C)no1 ZINC000660549689 1120655557 /nfs/dbraw/zinc/65/55/57/1120655557.db2.gz XPAJAAMAUDOQCO-NWDGAFQWSA-N 0 1 287.354 3.586 20 0 CHADMN CC1(C)CCC(C[N@@H+](CCC(F)(F)F)CC(=O)[O-])CC1 ZINC001593877027 996699089 /nfs/dbraw/zinc/69/90/89/996699089.db2.gz UPPDQLZHYWQHAM-UHFFFAOYSA-N 0 1 295.345 3.542 20 0 CHADMN CC[C@@H](C)CN(CC)C(=O)c1ccc(CN(CC)CC)o1 ZINC000673958836 1120701078 /nfs/dbraw/zinc/70/10/78/1120701078.db2.gz XUQOKUMSRBBCRH-CQSZACIVSA-N 0 1 294.439 3.630 20 0 CHADMN C[C@@]1(C2CCCCC2)CC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC001593992119 997264758 /nfs/dbraw/zinc/26/47/58/997264758.db2.gz BQSBKWOYMPWIGR-INIZCTEOSA-N 0 1 293.432 3.991 20 0 CHADMN C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC2(COC2)C1 ZINC000662072663 1120869559 /nfs/dbraw/zinc/86/95/59/1120869559.db2.gz IOUCNRBTOVAXGD-JTQLQIEISA-N 0 1 286.202 3.777 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001594292811 999129502 /nfs/dbraw/zinc/12/95/02/999129502.db2.gz NJYGINIHJLZBDZ-FUCXHRTASA-N 0 1 299.414 3.566 20 0 CHADMN CCC1(CC)CCN(Cc2noc3c2CCCC3)C1 ZINC000674869951 1121190371 /nfs/dbraw/zinc/19/03/71/1121190371.db2.gz NJGCSVCEYLUAGA-UHFFFAOYSA-N 0 1 262.397 3.566 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(F)c(F)c2)cn1 ZINC000062050973 1121185944 /nfs/dbraw/zinc/18/59/44/1121185944.db2.gz HZKHUNUFHPGRFH-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN Cc1ccsc1CN[C@@H]1COc2c1cccc2Cl ZINC000675103020 1121216305 /nfs/dbraw/zinc/21/63/05/1121216305.db2.gz GAIZHNHQYXAVRZ-GFCCVEGCSA-N 0 1 279.792 3.933 20 0 CHADMN CC(C)c1nc(CNC[C@]2(C)CC2(Cl)Cl)cs1 ZINC001344075459 1121287543 /nfs/dbraw/zinc/28/75/43/1121287543.db2.gz ORRZTAVRIIOUGP-NSHDSACASA-N 0 1 293.263 3.940 20 0 CHADMN COCC(C)(C)N(C)Cc1ccc(C)cc1Cl ZINC000429264751 1121489541 /nfs/dbraw/zinc/48/95/41/1121489541.db2.gz QBEYBBIYBSWMIL-UHFFFAOYSA-N 0 1 255.789 3.505 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512801420 1121603671 /nfs/dbraw/zinc/60/36/71/1121603671.db2.gz LGOIJZRRRFPRCG-VHSXEESVSA-N 0 1 291.288 3.587 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CC[C@@H](COC(F)F)C1 ZINC000512801420 1121603676 /nfs/dbraw/zinc/60/36/76/1121603676.db2.gz LGOIJZRRRFPRCG-VHSXEESVSA-N 0 1 291.288 3.587 20 0 CHADMN CC(C)c1noc(CN(C)[C@@H]2CCC[C@@H]2C(C)(C)C)n1 ZINC000419323743 1121654694 /nfs/dbraw/zinc/65/46/94/1121654694.db2.gz JFTXUSVRKJBHJQ-QWHCGFSZSA-N 0 1 279.428 3.840 20 0 CHADMN CC(C)=CCN1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000732210347 1121911022 /nfs/dbraw/zinc/91/10/22/1121911022.db2.gz RWXWWQCCOPVJST-HLLBOEOZSA-N 0 1 259.393 3.803 20 0 CHADMN CC(C)[C@@H](c1ccccc1)N(C)Cn1cc(Cl)cn1 ZINC000732979776 1121948243 /nfs/dbraw/zinc/94/82/43/1121948243.db2.gz QLAGKXXOUPVHOX-HNNXBMFYSA-N 0 1 277.799 3.823 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1cc(Cl)c(N)c(Cl)c1 ZINC000271749912 1122174144 /nfs/dbraw/zinc/17/41/44/1122174144.db2.gz RKCKWICHYVMFCL-SFYZADRCSA-N 0 1 299.205 3.711 20 0 CHADMN CN(C)c1ccc(Cc2cc(Cl)c(O)cc2F)cc1 ZINC001250435013 1122614314 /nfs/dbraw/zinc/61/43/14/1122614314.db2.gz TZUGFMKJVOXCIL-UHFFFAOYSA-N 0 1 279.742 3.842 20 0 CHADMN CN(Cc1ccnc(Cl)c1F)C[C@@H]1CC=CCC1 ZINC000824147983 1131456402 /nfs/dbraw/zinc/45/64/02/1131456402.db2.gz SXYBOCKINJFHDS-LLVKDONJSA-N 0 1 268.763 3.662 20 0 CHADMN CC1=CCCN(Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000437343080 1122628894 /nfs/dbraw/zinc/62/88/94/1122628894.db2.gz JMSSNJJRBFINQO-UHFFFAOYSA-N 0 1 271.282 3.579 20 0 CHADMN CCOc1cc(F)c(CN2CCC[C@@H]2C(C)C)c(F)c1 ZINC001143575628 1122895797 /nfs/dbraw/zinc/89/57/97/1122895797.db2.gz GCBVYTSPMAVOIR-MRXNPFEDSA-N 0 1 283.362 3.984 20 0 CHADMN CC1(C)CC(CC(=O)Nc2cc(Cl)c(O)cc2F)C1 ZINC000519665466 1123014671 /nfs/dbraw/zinc/01/46/71/1123014671.db2.gz UEJGLPXEYGTVBC-UHFFFAOYSA-N 0 1 285.746 3.950 20 0 CHADMN CC[C@@H](F)CN1CC=C(c2cccc(OC)c2)CC1 ZINC000440696675 1123030311 /nfs/dbraw/zinc/03/03/11/1123030311.db2.gz JXNPDCQXKVMGTE-OAHLLOKOSA-N 0 1 263.356 3.532 20 0 CHADMN Cc1nnc(CNCC2(C)CCC(C)(C)CC2)s1 ZINC000894905229 1123075296 /nfs/dbraw/zinc/07/52/96/1123075296.db2.gz CECUCDOYIOQXHX-UHFFFAOYSA-N 0 1 267.442 3.543 20 0 CHADMN CC(C)c1nnc(CN[C@@H](C)[C@@H](C)C2CCCCC2)o1 ZINC000185519517 1123229339 /nfs/dbraw/zinc/22/93/39/1123229339.db2.gz KUSYXLHDCDIEEJ-OLZOCXBDSA-N 0 1 279.428 3.888 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@H]1CCc2ccc(Cl)nc21 ZINC000857911092 1123626269 /nfs/dbraw/zinc/62/62/69/1123626269.db2.gz WRGRQCIICDLIHY-APPZFPTMSA-N 0 1 278.705 3.653 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@H](C)c1ccns1 ZINC000858577848 1123664459 /nfs/dbraw/zinc/66/44/59/1123664459.db2.gz RKSGMVVWJRRRNS-RKDXNWHRSA-N 0 1 268.407 3.625 20 0 CHADMN Fc1ccc2c(c1)nccc2N[C@H]1CCCSC1 ZINC000301507358 1123906374 /nfs/dbraw/zinc/90/63/74/1123906374.db2.gz BUQAGEUKKMCTEF-NSHDSACASA-N 0 1 262.353 3.681 20 0 CHADMN Cc1cscc1CNCc1cc(F)ccc1N(C)C ZINC000865545312 1123994360 /nfs/dbraw/zinc/99/43/60/1123994360.db2.gz GWCWMAAJRJTTFI-UHFFFAOYSA-N 0 1 278.396 3.551 20 0 CHADMN C[C@@H]1CCN(Cc2cc(Br)cs2)[C@H]1C ZINC000307717020 1124028444 /nfs/dbraw/zinc/02/84/44/1124028444.db2.gz IUFGGRMNZYCZQL-BDAKNGLRSA-N 0 1 274.227 3.741 20 0 CHADMN CC[C@H]1CCN(Cc2csc(CCC(C)C)n2)C1 ZINC000446714772 1124118848 /nfs/dbraw/zinc/11/88/48/1124118848.db2.gz NEWHOYMEVCLDAK-ZDUSSCGKSA-N 0 1 266.454 3.964 20 0 CHADMN CC(C)C[C@@H]1CCCCN1Cc1nnc(C(C)(C)C)o1 ZINC000123659046 1124617156 /nfs/dbraw/zinc/61/71/56/1124617156.db2.gz WCJVJZJGQIXHGE-ZDUSSCGKSA-N 0 1 279.428 3.768 20 0 CHADMN COc1cc(F)cc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000449295913 1124685722 /nfs/dbraw/zinc/68/57/22/1124685722.db2.gz WAWONKYQFNZTDQ-TVQRCGJNSA-N 0 1 291.288 3.607 20 0 CHADMN CC[C@@H](NCCCCCOc1ccccc1)C(F)F ZINC000449358315 1124710515 /nfs/dbraw/zinc/71/05/15/1124710515.db2.gz FKMBXTNLRWLVKR-CQSZACIVSA-N 0 1 271.351 3.869 20 0 CHADMN CS[C@H]1CCN(Cc2ccccc2OC(F)(F)F)C1 ZINC000449445540 1124739241 /nfs/dbraw/zinc/73/92/41/1124739241.db2.gz JOOQNWXLKPRVDK-NSHDSACASA-N 0 1 291.338 3.523 20 0 CHADMN COC[C@]1(C)CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000449392346 1124712731 /nfs/dbraw/zinc/71/27/31/1124712731.db2.gz JWMMZJALOZPBPJ-CQSZACIVSA-N 0 1 288.218 3.852 20 0 CHADMN CCO[C@H]1CCN(Cc2c(F)cccc2Cl)C[C@@H]1C ZINC000449493576 1124761236 /nfs/dbraw/zinc/76/12/36/1124761236.db2.gz LSHACSJESRMHCU-NHYWBVRUSA-N 0 1 285.790 3.726 20 0 CHADMN C=C/C=C/CCN1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001168113217 1124875110 /nfs/dbraw/zinc/87/51/10/1124875110.db2.gz LESDZAXBWIMCOA-SDCXRFKSSA-N 0 1 263.406 3.642 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@@H]3CCCC[C@@H]32)s1 ZINC000450232772 1124954356 /nfs/dbraw/zinc/95/43/56/1124954356.db2.gz MTJGXEJVXGVAQY-STQMWFEESA-N 0 1 279.453 3.816 20 0 CHADMN CC[C@](C)(NC[C@@H]1CCCC(C)(C)O1)c1nccs1 ZINC000878254418 1125136153 /nfs/dbraw/zinc/13/61/53/1125136153.db2.gz VNDPBBMJJMNQFO-WFASDCNBSA-N 0 1 282.453 3.706 20 0 CHADMN C[C@H](NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ncco1 ZINC000925240245 1125189845 /nfs/dbraw/zinc/18/98/45/1125189845.db2.gz OKVFOXSWTGCUFN-AXFHLTTASA-N 0 1 276.302 3.694 20 0 CHADMN C/C=C\C[C@@H]1CCCN([C@H](C)c2nnc(C)s2)C1 ZINC000626162898 1125380636 /nfs/dbraw/zinc/38/06/36/1125380636.db2.gz AIOGQVHIQVXBLD-FTGSRHIXSA-N 0 1 265.426 3.586 20 0 CHADMN CC(C)(C)c1csc(CN2CCCCC[C@@H]2CCO)n1 ZINC000342010388 1125388294 /nfs/dbraw/zinc/38/82/94/1125388294.db2.gz DBFRRDFCYOWNHC-CYBMUJFWSA-N 0 1 296.480 3.568 20 0 CHADMN CCCc1ccc(CN2CCO[C@H](C(C)C)C2)s1 ZINC001138527846 1131517015 /nfs/dbraw/zinc/51/70/15/1131517015.db2.gz LIMKZQVUULXJDO-HNNXBMFYSA-N 0 1 267.438 3.557 20 0 CHADMN Cc1ccc(C(F)(F)F)c(CN2CCC[C@@H]3C[C@@H]32)c1 ZINC001143683833 1131522908 /nfs/dbraw/zinc/52/29/08/1131522908.db2.gz PVEIPHRRPWVDIL-RISCZKNCSA-N 0 1 269.310 3.998 20 0 CHADMN Cc1cnc(CN2CCC[C@H]2C(C)C)cc1Br ZINC001143668276 1131522257 /nfs/dbraw/zinc/52/22/57/1131522257.db2.gz UABFZQFUQGDHKL-AWEZNQCLSA-N 0 1 297.240 3.773 20 0 CHADMN CC(C)c1nc(CN2CC[C@H](C)C[C@@H]2C)cs1 ZINC001138886744 1131558321 /nfs/dbraw/zinc/55/83/21/1131558321.db2.gz COFJSAXKBOAYIH-RYUDHWBXSA-N 0 1 252.427 3.887 20 0 CHADMN CC(C)Oc1cccc(CN2CCC[C@@](C)(F)C2)c1 ZINC001138983727 1131568269 /nfs/dbraw/zinc/56/82/69/1131568269.db2.gz ZGNKNYUJMYYWSN-MRXNPFEDSA-N 0 1 265.372 3.798 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(Cl)ccn2)cc1C ZINC001139565305 1131616216 /nfs/dbraw/zinc/61/62/16/1131616216.db2.gz UNRXITRIGMUNHY-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Clc1ccnc(CN2CCCC3(CCCC3)C2)c1 ZINC001139559827 1131617040 /nfs/dbraw/zinc/61/70/40/1131617040.db2.gz QGZNTWIVFKRHPE-UHFFFAOYSA-N 0 1 264.800 3.891 20 0 CHADMN CCOc1ccc(CN2CC[C@@](C)(CF)C2)cc1Cl ZINC001139594210 1131619385 /nfs/dbraw/zinc/61/93/85/1131619385.db2.gz CSOGFIWFPDEEHY-HNNXBMFYSA-N 0 1 285.790 3.920 20 0 CHADMN CCOc1ccc(CN2C[C@@H](F)C[C@H]2C)cc1CC ZINC001139619081 1131623285 /nfs/dbraw/zinc/62/32/85/1131623285.db2.gz VWQWBVWVNUZSAS-DOMZBBRYSA-N 0 1 265.372 3.580 20 0 CHADMN COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2C)c1 ZINC001144479187 1131641391 /nfs/dbraw/zinc/64/13/91/1131641391.db2.gz RLXPTMPIPIBUSP-NSHDSACASA-N 0 1 253.773 3.723 20 0 CHADMN COc1cc(Cl)cc(CN2CCCC[C@@H]2C)c1 ZINC001144479187 1131641394 /nfs/dbraw/zinc/64/13/94/1131641394.db2.gz RLXPTMPIPIBUSP-NSHDSACASA-N 0 1 253.773 3.723 20 0 CHADMN COCCC1CCN(Cc2cc(Cl)cc(OC)c2)CC1 ZINC001144487344 1131644146 /nfs/dbraw/zinc/64/41/46/1131644146.db2.gz HWSWSUTYOSMEQW-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN CCc1cccc(Cl)c1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000846110329 1131687711 /nfs/dbraw/zinc/68/77/11/1131687711.db2.gz GRQYZXUTAVTVQR-TXEJJXNPSA-N 0 1 271.738 3.599 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCCC[C@H](C)C1 ZINC001144745303 1131699451 /nfs/dbraw/zinc/69/94/51/1131699451.db2.gz WFTXQXOIYWCLSY-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN COc1cc(F)c(CN2CCC[C@H]2C(C)C)c(F)c1 ZINC001140829373 1131939555 /nfs/dbraw/zinc/93/95/55/1131939555.db2.gz HFAZIYIDZXWKIP-HNNXBMFYSA-N 0 1 269.335 3.594 20 0 CHADMN CSc1ccc([C@H](C)NCc2cccc(F)n2)cc1 ZINC000773089362 1131943149 /nfs/dbraw/zinc/94/31/49/1131943149.db2.gz PZZBVJLDULTBGN-NSHDSACASA-N 0 1 276.380 3.793 20 0 CHADMN C[C@H]1CCN(Cc2cnccc2C(F)(F)F)[C@@H](C)C1 ZINC001140919533 1131963225 /nfs/dbraw/zinc/96/32/25/1131963225.db2.gz VAVVOLYKOLOJCU-QWRGUYRKSA-N 0 1 272.314 3.721 20 0 CHADMN COc1cc([C@H](C)N[C@H](C)c2ccns2)ccc1F ZINC000715934490 1131998336 /nfs/dbraw/zinc/99/83/36/1131998336.db2.gz XXORLCVIFSJBEV-VHSXEESVSA-N 0 1 280.368 3.703 20 0 CHADMN CSc1ccc(CN[C@H](C)c2ccns2)cc1 ZINC000716030288 1132001965 /nfs/dbraw/zinc/00/19/65/1132001965.db2.gz MNLNTESWGFWQPG-SNVBAGLBSA-N 0 1 264.419 3.716 20 0 CHADMN CC(C)[N@H+]1CC[C@@H](Oc2cc(O)c(Cl)cc2Cl)C1 ZINC001229411671 1132063223 /nfs/dbraw/zinc/06/32/23/1132063223.db2.gz UZXFIEAQTSTXSZ-SECBINFHSA-N 0 1 290.190 3.561 20 0 CHADMN CC(C)[N@H+]1CC[C@@H](Oc2cc([O-])c(Cl)cc2Cl)C1 ZINC001229411671 1132063234 /nfs/dbraw/zinc/06/32/34/1132063234.db2.gz UZXFIEAQTSTXSZ-SECBINFHSA-N 0 1 290.190 3.561 20 0 CHADMN C[C@@H](Oc1ccc(F)cc1CN(C)C)c1ccco1 ZINC001229858085 1132125925 /nfs/dbraw/zinc/12/59/25/1132125925.db2.gz FKSTZHURIDBPPJ-LLVKDONJSA-N 0 1 263.312 3.620 20 0 CHADMN C[C@@H]1CC[C@H](N2CCc3nc(Cl)ccc3C2)C[C@H]1C ZINC001172374419 1132168883 /nfs/dbraw/zinc/16/88/83/1132168883.db2.gz QKXKRHYCOPTWNC-BZPMIXESSA-N 0 1 278.827 3.918 20 0 CHADMN CC[C@@H](CC(C)C)N1CCCC[C@H]1c1noc(C)n1 ZINC001172406462 1132198419 /nfs/dbraw/zinc/19/84/19/1132198419.db2.gz IEZPKAURKXWEMY-KBPBESRZSA-N 0 1 265.401 3.730 20 0 CHADMN Cc1nc2c(s1)CN([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172382989 1132208387 /nfs/dbraw/zinc/20/83/87/1132208387.db2.gz NRQGCHKORUYLRD-CKYFFXLPSA-N 0 1 250.411 3.592 20 0 CHADMN O=C(N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C(F)(F)F ZINC000839831354 1132235379 /nfs/dbraw/zinc/23/53/79/1132235379.db2.gz UFAXIFSUWNORLR-KOLCDFICSA-N 0 1 291.700 3.655 20 0 CHADMN CCCO[C@@H]1CCN(Cc2ccc(C)c(Cl)c2)C1 ZINC001231423230 1132291723 /nfs/dbraw/zinc/29/17/23/1132291723.db2.gz WPLCCYYTIKRDLO-CQSZACIVSA-N 0 1 267.800 3.649 20 0 CHADMN Cc1c(F)ccc(CN2CCCCC23CC3)c1F ZINC001231481282 1132296962 /nfs/dbraw/zinc/29/69/62/1132296962.db2.gz XHAGVOIZDGDTOD-UHFFFAOYSA-N 0 1 251.320 3.792 20 0 CHADMN Clc1cccnc1CN1CCC12CCCCC2 ZINC001231956819 1132401954 /nfs/dbraw/zinc/40/19/54/1132401954.db2.gz UDBBOHZHAXNGLF-UHFFFAOYSA-N 0 1 250.773 3.644 20 0 CHADMN C[N@@H+](Cc1ccns1)C(C)(C)Cc1ccccc1 ZINC001232193524 1132433531 /nfs/dbraw/zinc/43/35/31/1132433531.db2.gz FTQLDPSRYJKGQB-UHFFFAOYSA-N 0 1 260.406 3.596 20 0 CHADMN COc1cc(CN2CCC(C)(C)C2)c(OC)cc1Cl ZINC001232374107 1132460111 /nfs/dbraw/zinc/46/01/11/1132460111.db2.gz ZKFYNYQTVCIFMR-UHFFFAOYSA-N 0 1 283.799 3.589 20 0 CHADMN Cc1cc(CN2CC3CC(C3)C2)cc(C)c1Br ZINC001232524947 1132483246 /nfs/dbraw/zinc/48/32/46/1132483246.db2.gz VZJZGRFFUBLNQZ-UHFFFAOYSA-N 0 1 294.236 3.908 20 0 CHADMN CCCCN(C)Cc1c(F)cc(Cl)cc1OC ZINC001233001894 1132561216 /nfs/dbraw/zinc/56/12/16/1132561216.db2.gz LVGYCYXANJUKJD-UHFFFAOYSA-N 0 1 259.752 3.720 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(O)cc(Br)c2)C1 ZINC001232999030 1132561408 /nfs/dbraw/zinc/56/14/08/1132561408.db2.gz NNJHQYKKJFVUOC-LLVKDONJSA-N 0 1 298.224 3.777 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCC[C@@H](CC)C1 ZINC001233021157 1132564467 /nfs/dbraw/zinc/56/44/67/1132564467.db2.gz BBVROLXGLSYTGQ-GFCCVEGCSA-N 0 1 281.421 3.547 20 0 CHADMN CC[C@@H]1CCN(Cc2cc(Br)cc(OC)c2)C1 ZINC001233216353 1132582015 /nfs/dbraw/zinc/58/20/15/1132582015.db2.gz BWRQFOSNOLWKBT-LLVKDONJSA-N 0 1 298.224 3.690 20 0 CHADMN C[N@@H+](Cc1ccc([S-])cc1)Cc1cccc(F)c1 ZINC001233259064 1132591797 /nfs/dbraw/zinc/59/17/97/1132591797.db2.gz FAFDNWZNRULTNL-UHFFFAOYSA-N 0 1 261.365 3.746 20 0 CHADMN Cc1cc(Nc2ccncc2)cc(Cl)c1Cl ZINC001173885260 1132624851 /nfs/dbraw/zinc/62/48/51/1132624851.db2.gz QQJDBWFAZLKNTH-UHFFFAOYSA-N 0 1 253.132 3.862 20 0 CHADMN CC(C)(c1ccnc(Cl)c1)N1CCC[C@H](C(F)F)C1 ZINC001165088891 1133229503 /nfs/dbraw/zinc/22/95/03/1133229503.db2.gz MGSXAIICCYHRGA-JTQLQIEISA-N 0 1 288.769 3.947 20 0 CHADMN C[C@@H]1CN(Cc2cccc(Cl)c2Cl)CCC[C@H]1O ZINC001204181291 1133416616 /nfs/dbraw/zinc/41/66/16/1133416616.db2.gz LTZGCVJWYVFERG-ZWNOBZJWSA-N 0 1 288.218 3.586 20 0 CHADMN C[C@H]1CN(Cc2ccc(F)cc2Cl)C2(CC2)C1 ZINC001204439473 1133447629 /nfs/dbraw/zinc/44/76/29/1133447629.db2.gz VJFGMKPDMSLGST-SNVBAGLBSA-N 0 1 253.748 3.854 20 0 CHADMN Cc1sc(CN2CC(C(C)C)C2)cc1Br ZINC001205541509 1133585564 /nfs/dbraw/zinc/58/55/64/1133585564.db2.gz QYWXVAAMFLCORS-UHFFFAOYSA-N 0 1 288.254 3.907 20 0 CHADMN CC(C)[C@@H]1N(Cc2ncccc2F)CC12CCCC2 ZINC001206270356 1133680379 /nfs/dbraw/zinc/68/03/79/1133680379.db2.gz MTQYWLVLMGVLGE-HNNXBMFYSA-N 0 1 262.372 3.621 20 0 CHADMN C[C@@H]1CN(Cc2cccc3[nH]cc(Cl)c32)C[C@@H]1F ZINC001209658376 1134048977 /nfs/dbraw/zinc/04/89/77/1134048977.db2.gz PRGPOIGFEWPCFH-SKDRFNHKSA-N 0 1 266.747 3.611 20 0 CHADMN Cc1ccc(Nc2ccc(Cl)c(O)c2F)nc1 ZINC001214791137 1134572637 /nfs/dbraw/zinc/57/26/37/1134572637.db2.gz MUMXSHNTTNEDLO-UHFFFAOYSA-N 0 1 252.676 3.632 20 0 CHADMN CCOc1cccnc1Nc1ccc(Cl)c(O)c1F ZINC001214793968 1134573688 /nfs/dbraw/zinc/57/36/88/1134573688.db2.gz RCQDNKIFQQPQIZ-UHFFFAOYSA-N 0 1 282.702 3.722 20 0 CHADMN Cc1cccc(O)c1Nc1ccc(Cl)c(O)c1F ZINC001214801189 1134575683 /nfs/dbraw/zinc/57/56/83/1134575683.db2.gz CWTSMNNXLKUBFF-UHFFFAOYSA-N 0 1 267.687 3.942 20 0 CHADMN C[C@@H]1CCCN(Cc2cccc(O)c2Br)[C@H]1C ZINC000315777031 1135160585 /nfs/dbraw/zinc/16/05/85/1135160585.db2.gz DPMYMNXILCUFDI-MNOVXSKESA-N 0 1 298.224 3.775 20 0 CHADMN CC[N@H+]1CCC[C@H](Oc2cc(Cl)ccc2Cl)C1 ZINC001225204816 1135513458 /nfs/dbraw/zinc/51/34/58/1135513458.db2.gz XTAKZWSWAZXJEL-NSHDSACASA-N 0 1 274.191 3.857 20 0 CHADMN CCN1CCC[C@H](Oc2cc(Cl)ccc2Cl)C1 ZINC001225204816 1135513462 /nfs/dbraw/zinc/51/34/62/1135513462.db2.gz XTAKZWSWAZXJEL-NSHDSACASA-N 0 1 274.191 3.857 20 0 CHADMN CCC1(CC)CCCN1CC(=O)c1ccccc1F ZINC000721224313 1135823176 /nfs/dbraw/zinc/82/31/76/1135823176.db2.gz ZSYIJOUNJZNYGW-UHFFFAOYSA-N 0 1 263.356 3.663 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)s1 ZINC000050925013 1125508092 /nfs/dbraw/zinc/50/80/92/1125508092.db2.gz BWVPFGMTKUGTOO-SNVBAGLBSA-N 0 1 287.812 3.621 20 0 CHADMN CC[C@H](C)CN(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000133511622 1125510168 /nfs/dbraw/zinc/51/01/68/1125510168.db2.gz LGSVQXCYOMVDFN-ZDUSSCGKSA-N 0 1 257.381 3.555 20 0 CHADMN CCOc1cccc(CN2CCC[C@H]2c2ccccn2)c1 ZINC000536629492 1125510594 /nfs/dbraw/zinc/51/05/94/1125510594.db2.gz SGRCYJLLBAWASW-SFHVURJKSA-N 0 1 282.387 3.817 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccc(C)n2)c(C)s1 ZINC000051574730 1125511434 /nfs/dbraw/zinc/51/14/34/1125511434.db2.gz CILYINPUKUAMCK-GFCCVEGCSA-N 0 1 260.406 3.919 20 0 CHADMN CC(C)c1csc(CN[C@H]2CCOC23CCCCC3)n1 ZINC000925282930 1125527202 /nfs/dbraw/zinc/52/72/02/1125527202.db2.gz LPVVMXRBVDVAIX-AWEZNQCLSA-N 0 1 294.464 3.848 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1Cc1nc([C@@H](C)OCC)no1 ZINC000135324639 1125523926 /nfs/dbraw/zinc/52/39/26/1125523926.db2.gz JVQJIVMOEUGTDZ-MJBXVCDLSA-N 0 1 295.427 3.568 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1Cc1nnc(C(C)C)o1 ZINC000135335390 1125524722 /nfs/dbraw/zinc/52/47/22/1125524722.db2.gz QQVRBZOZCJUPSS-OLZOCXBDSA-N 0 1 265.401 3.594 20 0 CHADMN CCc1ccc(-c2noc(CN(C)[C@@H]3CC[C@H](C)C3)n2)cc1 ZINC000429565958 1125525965 /nfs/dbraw/zinc/52/59/65/1125525965.db2.gz IWCUNKZFIYEWIA-XJKSGUPXSA-N 0 1 299.418 3.919 20 0 CHADMN CSC[C@@H]1CCCN1Cc1ncc(-c2ccccc2)o1 ZINC000135484545 1125526349 /nfs/dbraw/zinc/52/63/49/1125526349.db2.gz VWQVSSPMCJQUQP-AWEZNQCLSA-N 0 1 288.416 3.669 20 0 CHADMN CCS[C@@H](C)c1noc(CN(C)[C@@H]2CCCC[C@@H]2C)n1 ZINC000136434891 1125530661 /nfs/dbraw/zinc/53/06/61/1125530661.db2.gz PIIQIMJGBRBQAR-RWMBFGLXSA-N 0 1 297.468 3.894 20 0 CHADMN COc1nc2ccccc2cc1C[N@@H+](C)C[C@@H]1CC1(C)C ZINC001137206923 1125535978 /nfs/dbraw/zinc/53/59/78/1125535978.db2.gz REJATVBZQPXSPS-HNNXBMFYSA-N 0 1 284.403 3.721 20 0 CHADMN COCCN(C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000536631930 1125537569 /nfs/dbraw/zinc/53/75/69/1125537569.db2.gz URCDAGKRAGSXHZ-UHFFFAOYSA-N 0 1 279.767 3.678 20 0 CHADMN Cc1cc(F)ccc1CN1CCC[C@@H]1c1ccccn1 ZINC000536629620 1125537868 /nfs/dbraw/zinc/53/78/68/1125537868.db2.gz UGXXQIPRMPPOFG-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@@H]1CCCN(Cc2csc(-c3ccccn3)n2)CC1 ZINC000119690573 1125538620 /nfs/dbraw/zinc/53/86/20/1125538620.db2.gz XCUUGZITAXSTMA-CYBMUJFWSA-N 0 1 287.432 3.827 20 0 CHADMN CCOc1cccc([C@H](C)N[C@H](C)c2cnn(CC)c2)c1 ZINC000120593242 1125549759 /nfs/dbraw/zinc/54/97/59/1125549759.db2.gz GPXOUBJGMFSBTQ-UONOGXRCSA-N 0 1 287.407 3.714 20 0 CHADMN CN(CCOC(C)(C)C)Cc1cccc2c1OC(C)(C)C2 ZINC000678283637 1125552945 /nfs/dbraw/zinc/55/29/45/1125552945.db2.gz GTQPPDBAPOVCTF-UHFFFAOYSA-N 0 1 291.435 3.647 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000195359026 1125560594 /nfs/dbraw/zinc/56/05/94/1125560594.db2.gz ADCHPIBOLSYVQR-UHFFFAOYSA-N 0 1 296.374 3.581 20 0 CHADMN Fc1ccc([C@@H](NCc2ccccn2)C2CCC2)cc1 ZINC000105431165 1125566018 /nfs/dbraw/zinc/56/60/18/1125566018.db2.gz NJNWRMYJIXOOTP-KRWDZBQOSA-N 0 1 270.351 3.852 20 0 CHADMN Cc1nc2cc(Nc3ccc4c(c3)CCC4=O)ccc2[nH]1 ZINC001213075310 1125566678 /nfs/dbraw/zinc/56/66/78/1125566678.db2.gz NUJYWOSMJBVYSH-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN COC(=O)[C@H](CC(C)C)N1CCC[C@H]1c1ccc(C)s1 ZINC000509670353 1125574192 /nfs/dbraw/zinc/57/41/92/1125574192.db2.gz ZTQRLCIIRHMPMX-KBPBESRZSA-N 0 1 295.448 3.781 20 0 CHADMN CCN(Cc1cccs1)Cc1cnc(OC)c(Cl)c1 ZINC000532775862 1125580018 /nfs/dbraw/zinc/58/00/18/1125580018.db2.gz LEEACYOTEXNJNN-UHFFFAOYSA-N 0 1 296.823 3.827 20 0 CHADMN Clc1cccc2c1C[C@@H](N1Cc3cccnc3C1)CC2 ZINC001170922691 1131230914 /nfs/dbraw/zinc/23/09/14/1131230914.db2.gz YWVQSRRHMCPXJS-AWEZNQCLSA-N 0 1 284.790 3.608 20 0 CHADMN CSc1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001238677164 1131230915 /nfs/dbraw/zinc/23/09/15/1131230915.db2.gz QEAMNVICGDRACA-OAHLLOKOSA-N 0 1 297.851 3.817 20 0 CHADMN CSc1ccc(Cl)cc1CN1CCC[C@@]2(CCO2)C1 ZINC001238677164 1131230918 /nfs/dbraw/zinc/23/09/18/1131230918.db2.gz QEAMNVICGDRACA-OAHLLOKOSA-N 0 1 297.851 3.817 20 0 CHADMN CN(CCOc1ccccc1)Cc1cc(F)c(F)c(F)c1 ZINC000532934647 1125590934 /nfs/dbraw/zinc/59/09/34/1125590934.db2.gz RRKAWHDGCDOICH-UHFFFAOYSA-N 0 1 295.304 3.615 20 0 CHADMN CC[C@@H]1CN(CCCC2CCCCC2)C[C@@H](C)[S@]1=O ZINC000348550232 1125591486 /nfs/dbraw/zinc/59/14/86/1125591486.db2.gz SNZJBNQMFLSXAK-IDHHARJASA-N 0 1 285.497 3.578 20 0 CHADMN Cc1c(Cl)cc(Cl)cc1Nc1ccnc(CO)c1 ZINC001211983973 1125596883 /nfs/dbraw/zinc/59/68/83/1125596883.db2.gz QKHFQGRIGJLDNJ-UHFFFAOYSA-N 0 1 283.158 3.933 20 0 CHADMN CC(C)c1ccc(C(C)(C)NCc2cncnc2)cc1 ZINC000729686668 1125613501 /nfs/dbraw/zinc/61/35/01/1125613501.db2.gz SOEGCEDTNGHJRN-UHFFFAOYSA-N 0 1 269.392 3.625 20 0 CHADMN c1cc(CN2CCC[C@H](CCCc3ccccc3)C2)no1 ZINC000533539845 1125614802 /nfs/dbraw/zinc/61/48/02/1125614802.db2.gz GMNAXLWMHBSDQV-KRWDZBQOSA-N 0 1 284.403 3.910 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CCC[C@]2(CC=CCC2)C1 ZINC000246369315 1125621025 /nfs/dbraw/zinc/62/10/25/1125621025.db2.gz LVJSGBNFRLMRNZ-SUMWQHHRSA-N 0 1 287.407 3.830 20 0 CHADMN Clc1cccc2ccc(CN3CCC4(CC4)C3)nc12 ZINC001137221105 1125624978 /nfs/dbraw/zinc/62/49/78/1125624978.db2.gz CBNBCZXGYGYDNH-UHFFFAOYSA-N 0 1 272.779 3.874 20 0 CHADMN Cc1n[nH]c(CN[C@@H](C)c2cccc(C(F)(F)F)c2)c1C ZINC000885891311 1125625236 /nfs/dbraw/zinc/62/52/36/1125625236.db2.gz BJIVYZOSSGFBEK-NSHDSACASA-N 0 1 297.324 3.896 20 0 CHADMN CC1(C)CCC[N@H+]1Cc1ncc(-c2cccs2)o1 ZINC000067399398 1125625563 /nfs/dbraw/zinc/62/55/63/1125625563.db2.gz XGOVSVCZNORNTA-UHFFFAOYSA-N 0 1 262.378 3.778 20 0 CHADMN CC1(C)CCCN1Cc1ncc(-c2cccs2)o1 ZINC000067399398 1125625568 /nfs/dbraw/zinc/62/55/68/1125625568.db2.gz XGOVSVCZNORNTA-UHFFFAOYSA-N 0 1 262.378 3.778 20 0 CHADMN Cc1n[nH]c(CNCc2ccccc2OC2CCCC2)c1C ZINC000885926371 1125627030 /nfs/dbraw/zinc/62/70/30/1125627030.db2.gz CGVFPJIIKFAUCB-UHFFFAOYSA-N 0 1 299.418 3.638 20 0 CHADMN Cc1[nH]nc(CNCc2ccccc2OC2CCCC2)c1C ZINC000885926371 1125627034 /nfs/dbraw/zinc/62/70/34/1125627034.db2.gz CGVFPJIIKFAUCB-UHFFFAOYSA-N 0 1 299.418 3.638 20 0 CHADMN Cc1[nH]nc(CNc2cccc(OC(F)(F)F)c2)c1C ZINC000885931721 1125628407 /nfs/dbraw/zinc/62/84/07/1125628407.db2.gz YACBDKUOXAJJSD-UHFFFAOYSA-N 0 1 285.269 3.537 20 0 CHADMN O=C(Nc1ccc(F)c(F)c1)c1cn[nH]c1-c1ccccc1 ZINC000071008247 1125632512 /nfs/dbraw/zinc/63/25/12/1125632512.db2.gz YJSXXLHZWDRSGV-UHFFFAOYSA-N 0 1 299.280 3.607 20 0 CHADMN C[C@@H]1CN(Cc2nccs2)CC[C@H]1c1ccccc1 ZINC000246426294 1125633571 /nfs/dbraw/zinc/63/35/71/1125633571.db2.gz CJJWXVJARISRIV-UKRRQHHQSA-N 0 1 272.417 3.769 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(F)c(F)c2)cc1 ZINC000072802259 1125636963 /nfs/dbraw/zinc/63/69/63/1125636963.db2.gz WGUVCRWFHAGZAV-UHFFFAOYSA-N 0 1 277.314 3.605 20 0 CHADMN CCOc1cc(Cl)ccc1NCc1n[nH]c(C)c1C ZINC000886018500 1125638249 /nfs/dbraw/zinc/63/82/49/1125638249.db2.gz BFXOLEDKWBXKAR-UHFFFAOYSA-N 0 1 279.771 3.691 20 0 CHADMN CCCOc1ccc(NCc2n[nH]c(C)c2C)c(C)c1 ZINC000886030453 1125638978 /nfs/dbraw/zinc/63/89/78/1125638978.db2.gz KZIJJBVIQRIWMN-UHFFFAOYSA-N 0 1 273.380 3.736 20 0 CHADMN C[C@@H]1c2ccccc2CN1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886031027 1125639053 /nfs/dbraw/zinc/63/90/53/1125639053.db2.gz ZWPYSJSLDJVXJS-VMGRFDJRSA-N 0 1 257.377 3.521 20 0 CHADMN Cc1[nH]nc(CNc2ccccc2OCC(F)(F)F)c1C ZINC000886028630 1125639211 /nfs/dbraw/zinc/63/92/11/1125639211.db2.gz UOEMCCRVIOGZIU-UHFFFAOYSA-N 0 1 299.296 3.580 20 0 CHADMN CC[C@H](C)C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000074016617 1125639550 /nfs/dbraw/zinc/63/95/50/1125639550.db2.gz XQRWWGDMHYQEDR-NSHDSACASA-N 0 1 294.358 3.610 20 0 CHADMN Cc1[nH]nc(CNc2ccc(F)c(Br)c2)c1C ZINC000886049952 1125640427 /nfs/dbraw/zinc/64/04/27/1125640427.db2.gz YXIKHTIVKYKACF-UHFFFAOYSA-N 0 1 298.159 3.540 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1nc2c(s1)CCC2 ZINC000093052776 1125640857 /nfs/dbraw/zinc/64/08/57/1125640857.db2.gz VMFCJGXWGUQXAM-GFCCVEGCSA-N 0 1 272.417 3.791 20 0 CHADMN Cc1cc(CN2C[C@@H](C)OC(C)(C)C2)c2ccccc2n1 ZINC000074352592 1125640887 /nfs/dbraw/zinc/64/08/87/1125640887.db2.gz KUPOQXZFBFVFCF-CQSZACIVSA-N 0 1 284.403 3.543 20 0 CHADMN Cc1cn(C2CCCCC2)nc1NCc1n[nH]c(C)c1C ZINC000886059329 1125642024 /nfs/dbraw/zinc/64/20/24/1125642024.db2.gz APDYUFDWTYQKSM-UHFFFAOYSA-N 0 1 287.411 3.649 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000246498212 1125642848 /nfs/dbraw/zinc/64/28/48/1125642848.db2.gz DXZQUEBQBINQPM-XUJVJEKNSA-N 0 1 281.346 3.527 20 0 CHADMN FC(F)(F)C1=CCN(C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000886085546 1125645018 /nfs/dbraw/zinc/64/50/18/1125645018.db2.gz AJMOTVYJCKVSGO-ZDUSSCGKSA-N 0 1 289.341 3.530 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000246592188 1125645826 /nfs/dbraw/zinc/64/58/26/1125645826.db2.gz FWDOYOHFTVFFQG-HIFRSBDPSA-N 0 1 297.402 3.573 20 0 CHADMN Cc1nc2cc(Nc3cc(O)ccc3Cl)ccc2[nH]1 ZINC001213075432 1125646206 /nfs/dbraw/zinc/64/62/06/1125646206.db2.gz SLAZJFYZBTVJGQ-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN COc1ccc(Nc2ccc3[nH]c(C)nc3c2)cc1C ZINC001213075420 1125646393 /nfs/dbraw/zinc/64/63/93/1125646393.db2.gz SEZBYKMCYSAPGR-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1[nH]nc(CNc2ccc(C3CCC3)cc2)c1C ZINC000886094514 1125646582 /nfs/dbraw/zinc/64/65/82/1125646582.db2.gz UMNNHSWJOFVAJW-UHFFFAOYSA-N 0 1 255.365 3.906 20 0 CHADMN Cc1nc2cc(Nc3ccc(N)cc3Cl)ccc2[nH]1 ZINC001213075466 1125647890 /nfs/dbraw/zinc/64/78/90/1125647890.db2.gz TXHBIMRXUCUCEJ-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1[nH]nc(CNc2ccccc2NC(C)(C)C)c1C ZINC000886105196 1125650069 /nfs/dbraw/zinc/65/00/69/1125650069.db2.gz ULMJZDURVWHNFS-UHFFFAOYSA-N 0 1 272.396 3.849 20 0 CHADMN Cc1ccncc1CN(C)C/C=C/c1ccc(F)c(F)c1 ZINC000348364447 1125650182 /nfs/dbraw/zinc/65/01/82/1125650182.db2.gz YAMCFLAKXOCUJS-ONEGZZNKSA-N 0 1 288.341 3.813 20 0 CHADMN CC[C@@H](NCCOC1CCCCC1)c1nc(C)cs1 ZINC000886125587 1125652432 /nfs/dbraw/zinc/65/24/32/1125652432.db2.gz WPHBOVKALSNDDP-CQSZACIVSA-N 0 1 282.453 3.842 20 0 CHADMN CC[C@H](NC[C@H]1CCC2(CCC2)CO1)c1nc(C)cs1 ZINC000886125348 1125653056 /nfs/dbraw/zinc/65/30/56/1125653056.db2.gz OZDDJWFGQFUYKX-KGLIPLIRSA-N 0 1 294.464 3.842 20 0 CHADMN C[C@H]1C[C@H](c2cccnc2)N(CCSC(F)(F)F)C1 ZINC000886134395 1125653865 /nfs/dbraw/zinc/65/38/65/1125653865.db2.gz RDCFOCGRUPYILX-CMPLNLGQSA-N 0 1 290.354 3.718 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCC[C@H]1C ZINC000247495669 1125657756 /nfs/dbraw/zinc/65/77/56/1125657756.db2.gz LGHZXJDSWUMNEC-HUUCEWRRSA-N 0 1 288.435 3.930 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC[C@H]1C ZINC000247495659 1125657860 /nfs/dbraw/zinc/65/78/60/1125657860.db2.gz LGHZXJDSWUMNEC-CABCVRRESA-N 0 1 288.435 3.930 20 0 CHADMN Cc1coc(CN[C@H](C)c2ccc3c(c2)CCCO3)c1 ZINC000886166488 1125658893 /nfs/dbraw/zinc/65/88/93/1125658893.db2.gz JMSCBGKXLAKIRB-CYBMUJFWSA-N 0 1 271.360 3.764 20 0 CHADMN Cc1cc(CSc2nc(C=Cc3ccccc3)n[nH]2)on1 ZINC000247840043 1125660301 /nfs/dbraw/zinc/66/03/01/1125660301.db2.gz PFTDLCZKHRBWEO-BQYQJAHWSA-N 0 1 298.371 3.564 20 0 CHADMN COC[C@H](N[C@H]1CC1(C)C)c1cccc(Cl)c1F ZINC000348370331 1125661667 /nfs/dbraw/zinc/66/16/67/1125661667.db2.gz FVFQVWRGBQVYJL-RYUDHWBXSA-N 0 1 271.763 3.555 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1ncco1 ZINC000886272336 1125665325 /nfs/dbraw/zinc/66/53/25/1125665325.db2.gz NKRLRAXIYVRJQV-BPUTZDHNSA-N 0 1 270.376 3.737 20 0 CHADMN Fc1ccc([C@@H]2CCN2C[C@H]2CC[C@H](C3CC3)O2)cc1 ZINC000886278879 1125665916 /nfs/dbraw/zinc/66/59/16/1125665916.db2.gz KZEADSNQSPPJRX-IXDOHACOSA-N 0 1 275.367 3.530 20 0 CHADMN C[C@H]1c2ccccc2CN1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886296080 1125667599 /nfs/dbraw/zinc/66/75/99/1125667599.db2.gz ZWPYSJSLDJVXJS-NUTKFTJISA-N 0 1 257.377 3.521 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@H](c3cc(C)cc(C)c3)C2)o1 ZINC000248459117 1125668829 /nfs/dbraw/zinc/66/88/29/1125668829.db2.gz NKJQEUOZXRDNAP-HIFRSBDPSA-N 0 1 285.391 3.545 20 0 CHADMN Cc1ccc(C)c([C@H](C)N[C@@H](C)c2nccnc2C)c1 ZINC000219077460 1125669814 /nfs/dbraw/zinc/66/98/14/1125669814.db2.gz DIEHDLWWPWVTQN-ZFWWWQNUSA-N 0 1 269.392 3.814 20 0 CHADMN OCCCCN(Cc1oc2ccccc2c1Cl)C1CC1 ZINC000638074973 1129242191 /nfs/dbraw/zinc/24/21/91/1129242191.db2.gz GBDBOFWNQNLXFW-UHFFFAOYSA-N 0 1 293.794 3.823 20 0 CHADMN C[C@H](c1nc2ccccc2s1)N(C)CC[C@H]1CCCO1 ZINC000249485613 1125679934 /nfs/dbraw/zinc/67/99/34/1125679934.db2.gz UHWRMVHSVQQKQB-CHWSQXEVSA-N 0 1 290.432 3.858 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)C[C@H]1CCCO1 ZINC000249715874 1125680944 /nfs/dbraw/zinc/68/09/44/1125680944.db2.gz IJIFGKBLXQYDJP-NWDGAFQWSA-N 0 1 253.773 3.512 20 0 CHADMN CC(C)[C@H](NCc1cccc(Cl)c1F)c1cnn(C)c1 ZINC000886534756 1125685837 /nfs/dbraw/zinc/68/58/37/1125685837.db2.gz NUEYHLMCVUNMEC-HNNXBMFYSA-N 0 1 295.789 3.700 20 0 CHADMN C[C@@H](NCCCc1ccc(Cl)cc1)c1ncco1 ZINC000886532075 1125685858 /nfs/dbraw/zinc/68/58/58/1125685858.db2.gz CUARRERSPFGWQJ-LLVKDONJSA-N 0 1 264.756 3.611 20 0 CHADMN Cc1nc(C(C)(C)NCc2cccs2)sc1C ZINC000076904571 1125686891 /nfs/dbraw/zinc/68/68/91/1125686891.db2.gz SLNCEJPGRGANRJ-UHFFFAOYSA-N 0 1 266.435 3.846 20 0 CHADMN CC(C)(C)c1ncc(CN[C@@H]2CCCc3occc32)cn1 ZINC000284269232 1125690079 /nfs/dbraw/zinc/69/00/79/1125690079.db2.gz GUYUJCBATPTJFN-CQSZACIVSA-N 0 1 285.391 3.534 20 0 CHADMN COc1cccc([C@H](C)NCc2cnc(C(C)(C)C)nc2)c1 ZINC000284311079 1125691486 /nfs/dbraw/zinc/69/14/86/1125691486.db2.gz JKHPDXTVXYCSKC-ZDUSSCGKSA-N 0 1 299.418 3.634 20 0 CHADMN CO[C@@H]1CCC[C@@H](Nc2ccc3c(c2)nc(C)n3C)CC1 ZINC000886585854 1125694188 /nfs/dbraw/zinc/69/41/88/1125694188.db2.gz GVUIMIXZLFZURX-UKRRQHHQSA-N 0 1 287.407 3.641 20 0 CHADMN CSCc1cccc(CN[C@@H]2CCc3cccnc32)c1 ZINC000886596976 1125695821 /nfs/dbraw/zinc/69/58/21/1125695821.db2.gz SOWLZMDKMGETOO-MRXNPFEDSA-N 0 1 284.428 3.722 20 0 CHADMN Cc1ccccc1C1(N[C@@H]2CCc3cccnc32)CC1 ZINC000886629803 1125699590 /nfs/dbraw/zinc/69/95/90/1125699590.db2.gz OBYNSKTXRZGXOB-MRXNPFEDSA-N 0 1 264.372 3.656 20 0 CHADMN COc1cccc2c1CCC[C@H]2NCc1cc(C2CC2)no1 ZINC000886684218 1125707574 /nfs/dbraw/zinc/70/75/74/1125707574.db2.gz HKSLJYDHQDELIT-MRXNPFEDSA-N 0 1 298.386 3.728 20 0 CHADMN COCc1ccccc1CNCc1ccccc1Cl ZINC000037500086 1125710372 /nfs/dbraw/zinc/71/03/72/1125710372.db2.gz ZBRAXVGBBSLKSU-UHFFFAOYSA-N 0 1 275.779 3.776 20 0 CHADMN CSC1(CN[C@@H](C)c2cc(C)on2)CCCCC1 ZINC000886741098 1125714863 /nfs/dbraw/zinc/71/48/63/1125714863.db2.gz VAMHRHUBHJRWMR-LBPRGKRZSA-N 0 1 268.426 3.700 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H](C)c1cccc2c1OCO2 ZINC000925295433 1125717939 /nfs/dbraw/zinc/71/79/39/1125717939.db2.gz XEMROECRJSAKCW-OLZOCXBDSA-N 0 1 284.359 3.531 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1CCC[C@H](C)C1 ZINC000253602061 1125718963 /nfs/dbraw/zinc/71/89/63/1125718963.db2.gz HHAILRQRTTVFJY-QWRGUYRKSA-N 0 1 277.393 3.591 20 0 CHADMN C[C@H]1CC[C@H](CO)CN1Cc1cccc(Cl)c1Cl ZINC000093739018 1125725505 /nfs/dbraw/zinc/72/55/05/1125725505.db2.gz YCNFDVOPSYBLJO-QWRGUYRKSA-N 0 1 288.218 3.586 20 0 CHADMN CC(=O)CN[C@H](C)c1cccc(SC(F)(F)F)c1 ZINC000886932446 1125726361 /nfs/dbraw/zinc/72/63/61/1125726361.db2.gz AKPVINCHYFCLJT-SECBINFHSA-N 0 1 277.311 3.538 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3c2cccc3F)nc1Cl ZINC000886924019 1125726663 /nfs/dbraw/zinc/72/66/63/1125726663.db2.gz DLPHNFGVUJMPFH-HNNXBMFYSA-N 0 1 290.769 3.960 20 0 CHADMN COc1ccc(OC)c(CN(C)Cc2sccc2C)c1 ZINC000162035866 1125733959 /nfs/dbraw/zinc/73/39/59/1125733959.db2.gz RJTOQOWJWJCGNA-UHFFFAOYSA-N 0 1 291.416 3.706 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)Cc1cccc(N)c1 ZINC000261633733 1125735480 /nfs/dbraw/zinc/73/54/80/1125735480.db2.gz FCHOGAIUKNXISP-LLVKDONJSA-N 0 1 276.330 3.740 20 0 CHADMN CCc1ccc(/C(C)=C/c2nc(C3(N)CCCC3)no2)cc1 ZINC000261705771 1125739260 /nfs/dbraw/zinc/73/92/60/1125739260.db2.gz IJWMYHXLBFLKBQ-OUKQBFOZSA-N 0 1 297.402 3.921 20 0 CHADMN C[C@H](CN[C@@H](C)c1nccs1)Oc1ccccc1Cl ZINC000090116813 1125739736 /nfs/dbraw/zinc/73/97/36/1125739736.db2.gz KBMACGZMBOOOKO-MNOVXSKESA-N 0 1 296.823 3.915 20 0 CHADMN Cc1cccc2cc(-c3nc(C4(N)CCCC4)no3)oc21 ZINC000261730919 1125741506 /nfs/dbraw/zinc/74/15/06/1125741506.db2.gz KDUYPARWBRHRNW-UHFFFAOYSA-N 0 1 283.331 3.519 20 0 CHADMN COc1cc(C)cc(CN[C@H](C)c2ccc(C)o2)c1 ZINC000090723727 1125745350 /nfs/dbraw/zinc/74/53/50/1125745350.db2.gz WPTLRNCWJBJORO-CYBMUJFWSA-N 0 1 259.349 3.756 20 0 CHADMN C/C(=C/c1nc(C2(N)CCC2)no1)c1ccccc1Cl ZINC000261915501 1125745581 /nfs/dbraw/zinc/74/55/81/1125745581.db2.gz JUHJKDJIQMDMEX-KTKRTIGZSA-N 0 1 289.766 3.621 20 0 CHADMN Cc1cc(OC(C)C)cc(C)c1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001238676075 1131231499 /nfs/dbraw/zinc/23/14/99/1131231499.db2.gz HZZAVXCVZLCAKC-QILLFSRXSA-N 0 1 291.410 3.880 20 0 CHADMN C[C@@H](c1ncc(-c2ccccc2)o1)N(C)CCCF ZINC000887138577 1125752476 /nfs/dbraw/zinc/75/24/76/1125752476.db2.gz BWTLTDUAZQBWFH-LBPRGKRZSA-N 0 1 262.328 3.694 20 0 CHADMN CCOc1ccc(C2=CCN(Cc3ccncc3)CC2)cc1 ZINC000091811332 1125754710 /nfs/dbraw/zinc/75/47/10/1125754710.db2.gz GMDYRDFQUADVHF-UHFFFAOYSA-N 0 1 294.398 3.770 20 0 CHADMN Fc1ccc(OC2CCN(Cc3ccco3)CC2)c(F)c1 ZINC000092093236 1125757120 /nfs/dbraw/zinc/75/71/20/1125757120.db2.gz FWHHWECZYQFDEE-UHFFFAOYSA-N 0 1 293.313 3.601 20 0 CHADMN c1csc([C@@H]2CN(Cc3cccc4[nH]ccc43)CCO2)c1 ZINC000092594938 1125759537 /nfs/dbraw/zinc/75/95/37/1125759537.db2.gz LHQOZHLSZINOSM-INIZCTEOSA-N 0 1 298.411 3.803 20 0 CHADMN Cc1ncsc1C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000092670889 1125761620 /nfs/dbraw/zinc/76/16/20/1125761620.db2.gz URFHKNIBGXPYEL-UHFFFAOYSA-N 0 1 288.416 3.569 20 0 CHADMN Cc1ncsc1CN(Cc1cccc(O)c1)CC1CC1 ZINC000092670889 1125761627 /nfs/dbraw/zinc/76/16/27/1125761627.db2.gz URFHKNIBGXPYEL-UHFFFAOYSA-N 0 1 288.416 3.569 20 0 CHADMN COc1cncc(CN2CCCC[C@@H]2c2ccccc2)c1 ZINC000343690040 1125762576 /nfs/dbraw/zinc/76/25/76/1125762576.db2.gz MFIIXKKWHMRYPT-GOSISDBHSA-N 0 1 282.387 3.817 20 0 CHADMN Cc1cccc(C2=CCN(Cc3ccncc3)CC2)c1 ZINC000092822353 1125762737 /nfs/dbraw/zinc/76/27/37/1125762737.db2.gz IEJOLNGXPFHMQM-UHFFFAOYSA-N 0 1 264.372 3.679 20 0 CHADMN COC1CCC(=Nc2ncc(C)cc2Cl)CC1 ZINC001212874666 1129244716 /nfs/dbraw/zinc/24/47/16/1129244716.db2.gz DAFPYLRCOCUKQH-NSHDSACASA-N 0 1 252.745 3.538 20 0 CHADMN Cc1cccnc1CN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000093178775 1125765648 /nfs/dbraw/zinc/76/56/48/1125765648.db2.gz QWDBUURMZADVQY-RHSMWYFYSA-N 0 1 252.361 3.583 20 0 CHADMN Cc1nc(C)c([C@@H](C)N(C)Cc2cccc(O)c2)s1 ZINC000093275576 1125766853 /nfs/dbraw/zinc/76/68/53/1125766853.db2.gz YWNBBFLDUAEGMA-LLVKDONJSA-N 0 1 276.405 3.659 20 0 CHADMN C[C@H](COc1ccc(F)cc1F)N[C@H](C)c1nccs1 ZINC000093400716 1125768832 /nfs/dbraw/zinc/76/88/32/1125768832.db2.gz JVWOKVWOUCBCDS-NXEZZACHSA-N 0 1 298.358 3.539 20 0 CHADMN CCc1nc(C)c([C@H](C)N(C)Cc2ccn(C)c2)s1 ZINC000093612453 1125771322 /nfs/dbraw/zinc/77/13/22/1125771322.db2.gz ONYSSRLBHAKPJE-LBPRGKRZSA-N 0 1 277.437 3.545 20 0 CHADMN COc1ccncc1CN[C@H](C)c1cccc(Cl)c1 ZINC000287865120 1125787212 /nfs/dbraw/zinc/78/72/12/1125787212.db2.gz RYLHRLNMEJZRMS-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CCCC12CC2 ZINC001238694972 1131232475 /nfs/dbraw/zinc/23/24/75/1131232475.db2.gz BQNFGPBACLPLNG-UHFFFAOYSA-N 0 1 263.356 3.741 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CC[C@]2(CC2(F)F)C1 ZINC001238703427 1131233445 /nfs/dbraw/zinc/23/34/45/1131233445.db2.gz VNILBMRURLRARL-HNNXBMFYSA-N 0 1 299.336 3.844 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cccc(F)c1N ZINC000638307379 1129253393 /nfs/dbraw/zinc/25/33/93/1129253393.db2.gz JMTAXLWGZSJQIS-LBPRGKRZSA-N 0 1 288.366 3.576 20 0 CHADMN Cc1cnc(CN2CC3(CCCCC3)[C@@H]2C(C)C)o1 ZINC000639256856 1129297012 /nfs/dbraw/zinc/29/70/12/1129297012.db2.gz GKKOMCFLEYFYBI-HNNXBMFYSA-N 0 1 262.397 3.774 20 0 CHADMN CC(C)C[C@H]1CCCCCN1Cc1ncc(Cl)n1C ZINC000740886940 1129422978 /nfs/dbraw/zinc/42/29/78/1129422978.db2.gz HMAHUFRHQQYNFS-CYBMUJFWSA-N 0 1 283.847 3.864 20 0 CHADMN C[C@H](NCCC(C)(C)C1CC1)c1nc(C(C)(C)C)no1 ZINC000642680346 1129423580 /nfs/dbraw/zinc/42/35/80/1129423580.db2.gz ZEJLURIUAKKZIM-NSHDSACASA-N 0 1 279.428 3.844 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C(C)(CC)CC)c1 ZINC000643305403 1129437346 /nfs/dbraw/zinc/43/73/46/1129437346.db2.gz WXRFELBDIHSSAY-UHFFFAOYSA-N 0 1 277.364 3.750 20 0 CHADMN CCOc1ccc(C)c(CN2CCc3ncc(C)cc3C2)c1 ZINC001238710851 1131234993 /nfs/dbraw/zinc/23/49/93/1131234993.db2.gz FLTNYAPEEPIYMV-UHFFFAOYSA-N 0 1 296.414 3.655 20 0 CHADMN CCC(CC)CCCN(C)C(=O)c1cnc(C2CC2)[nH]1 ZINC001118736686 1131235108 /nfs/dbraw/zinc/23/51/08/1131235108.db2.gz YCVABKRUWVCDNC-UHFFFAOYSA-N 0 1 277.412 3.576 20 0 CHADMN CSc1ncc(C)cc1CN1CCC(F)(F)[C@@H](C)C1 ZINC001238710355 1131235316 /nfs/dbraw/zinc/23/53/16/1131235316.db2.gz BVZVQHWRHANSFO-NSHDSACASA-N 0 1 286.391 3.589 20 0 CHADMN COc1cc(CNCc2sc(C)nc2C)ccc1Cl ZINC000648816922 1129626537 /nfs/dbraw/zinc/62/65/37/1129626537.db2.gz RTKDHDPWAAWJPC-UHFFFAOYSA-N 0 1 296.823 3.712 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CC[C@@]2(CC2(F)F)C1 ZINC000649903571 1129685584 /nfs/dbraw/zinc/68/55/84/1129685584.db2.gz QLXQDZRMKREWRF-NOZJJQNGSA-N 0 1 273.273 3.757 20 0 CHADMN Cc1ccc(CN2CC[C@]3(CC3(F)F)C2)c(Cl)c1 ZINC000649908690 1129686684 /nfs/dbraw/zinc/68/66/84/1129686684.db2.gz UPPBTTIVFJPQQV-ZDUSSCGKSA-N 0 1 271.738 3.880 20 0 CHADMN CSc1ncc(C)cc1CN1CCc2c(C)cccc2C1 ZINC001238710433 1131235873 /nfs/dbraw/zinc/23/58/73/1131235873.db2.gz CSMDRQMNHMGLRK-UHFFFAOYSA-N 0 1 298.455 3.979 20 0 CHADMN CCC1(CC)CCC(N[C@@H](C)c2nc(C)no2)CC1 ZINC000651784450 1129747416 /nfs/dbraw/zinc/74/74/16/1129747416.db2.gz PQUADNAUIZUWJX-NSHDSACASA-N 0 1 265.401 3.778 20 0 CHADMN COc1ccc(F)c(-c2cccc(Cl)c2O)c1 ZINC001242364782 1129796077 /nfs/dbraw/zinc/79/60/77/1129796077.db2.gz OJYJWURWYHNAAW-UHFFFAOYSA-N 0 1 252.672 3.860 20 0 CHADMN Cc1ncc(CCN[C@H](C)c2csc(C(C)C)n2)s1 ZINC000769411059 1129906816 /nfs/dbraw/zinc/90/68/16/1129906816.db2.gz NNLFZFYCVWCLOO-SNVBAGLBSA-N 0 1 295.477 3.925 20 0 CHADMN CC(C)c1ccc(CN(C)[C@H]2CC[C@H](O)CC2)c(Cl)n1 ZINC001238723332 1131236820 /nfs/dbraw/zinc/23/68/20/1131236820.db2.gz XOWXDZQBSUVETF-HDJSIYSDSA-N 0 1 296.842 3.594 20 0 CHADMN C[C@@H](NC/C=C\Cl)c1cnc2ccsc2c1 ZINC000903443257 1130177796 /nfs/dbraw/zinc/17/77/96/1130177796.db2.gz DZHNEDLUIMNBSN-FIFYQCSRSA-N 0 1 252.770 3.699 20 0 CHADMN CCc1ccccc1NC(=O)CN[C@@H](C)c1cccs1 ZINC000192866037 1126706081 /nfs/dbraw/zinc/70/60/81/1126706081.db2.gz MCRMPXADUAXYNT-LBPRGKRZSA-N 0 1 288.416 3.600 20 0 CHADMN C[C@H]1CCN(c2ccnc3cc(OC(F)(F)F)ccc32)C1 ZINC000899876033 1126706397 /nfs/dbraw/zinc/70/63/97/1126706397.db2.gz JEVNHAGJXAHPPO-JTQLQIEISA-N 0 1 296.292 3.980 20 0 CHADMN Fc1ccccc1CN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481700255 1126706417 /nfs/dbraw/zinc/70/64/17/1126706417.db2.gz AEUKAFLJGGJETH-IBGZPJMESA-N 0 1 297.373 3.847 20 0 CHADMN CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cccc(Cl)c1O ZINC000481666456 1126704385 /nfs/dbraw/zinc/70/43/85/1126704385.db2.gz ISMBEILZPKXWFD-YMTOWFKASA-N 0 1 267.756 3.666 20 0 CHADMN COC[C@@H](CC(C)C)NCc1c(F)cccc1Cl ZINC000481721303 1126709138 /nfs/dbraw/zinc/70/91/38/1126709138.db2.gz VOULRUKIXBTDAE-LLVKDONJSA-N 0 1 273.779 3.630 20 0 CHADMN Clc1ccc([C@@H]2CCN(Cc3nccs3)C2)cc1 ZINC000135070266 1126710314 /nfs/dbraw/zinc/71/03/14/1126710314.db2.gz IQVKSPRHTKICIJ-GFCCVEGCSA-N 0 1 278.808 3.786 20 0 CHADMN COc1cc2c(cc1F)CC[C@H]2N[C@@H](C)c1ccco1 ZINC000338023578 1126712168 /nfs/dbraw/zinc/71/21/68/1126712168.db2.gz SSPCDWFXFSBHKU-IINYFYTJSA-N 0 1 275.323 3.765 20 0 CHADMN CC1(CC(=O)Nc2ccc3nc[nH]c3c2)CCCCC1 ZINC000338043014 1126714221 /nfs/dbraw/zinc/71/42/21/1126714221.db2.gz IMPVKHUKYWRLTF-UHFFFAOYSA-N 0 1 271.364 3.862 20 0 CHADMN CCCOc1ccc([C@H](C)NCc2ccnn2CC)cc1 ZINC000338141354 1126720528 /nfs/dbraw/zinc/72/05/28/1126720528.db2.gz GNUUMGFAHRGSFT-AWEZNQCLSA-N 0 1 287.407 3.543 20 0 CHADMN CCS[C@@H]1CCC[C@@H]1NCc1csc(C2CC2)n1 ZINC000348471333 1126724225 /nfs/dbraw/zinc/72/42/25/1126724225.db2.gz UFASYMVAMXSRRK-QWHCGFSZSA-N 0 1 282.478 3.784 20 0 CHADMN Cc1cnc(F)cc1Nc1ccncc1Oc1ccccc1 ZINC001212846663 1126727297 /nfs/dbraw/zinc/72/72/97/1126727297.db2.gz DUFIOOFXYZRQOG-UHFFFAOYSA-N 0 1 295.317 3.882 20 0 CHADMN Cc1nc([C@H]2CCCCN2Cc2ccc(Cl)s2)n[nH]1 ZINC000338333740 1126735130 /nfs/dbraw/zinc/73/51/30/1126735130.db2.gz RYWIREUAXYPSQJ-LLVKDONJSA-N 0 1 296.827 3.555 20 0 CHADMN CCCOc1ccc(CN(C)Cc2ccccn2)c(C)c1 ZINC000667978063 1126735358 /nfs/dbraw/zinc/73/53/58/1126735358.db2.gz SIAJPHBRRXWWHE-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN Cc1nc(CN(C)[C@H](C)C2CCCCC2)oc1C ZINC000338341901 1126735815 /nfs/dbraw/zinc/73/58/15/1126735815.db2.gz LKKUMOGDMDQHTH-GFCCVEGCSA-N 0 1 250.386 3.692 20 0 CHADMN CCc1ccccc1CN[C@H](C)c1ccncc1F ZINC000338341099 1126736094 /nfs/dbraw/zinc/73/60/94/1126736094.db2.gz DIRMMSAIQDKYLS-GFCCVEGCSA-N 0 1 258.340 3.634 20 0 CHADMN CO[C@H](CN1C[C@H](C)O[C@H](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000338345423 1126736299 /nfs/dbraw/zinc/73/62/99/1126736299.db2.gz AIHGYXDLZYCKDA-BCUIYNNISA-N 0 1 297.826 3.525 20 0 CHADMN Cc1cc2[nH]c(CN3CCC[C@@H]4COCC[C@H]43)cc2c(C)c1 ZINC000481983736 1126736312 /nfs/dbraw/zinc/73/63/12/1126736312.db2.gz SPHCTIJETBXTFW-DNVCBOLYSA-N 0 1 298.430 3.786 20 0 CHADMN Cc1cccc(C)c1CN[C@@H](C)c1ccncc1F ZINC000338362464 1126738375 /nfs/dbraw/zinc/73/83/75/1126738375.db2.gz ZRHPRNAKQJOEPT-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN CCCCC[C@@H](OCCN1CCN(C)CC1)[C@@H](C)CCC ZINC001224548590 1126744493 /nfs/dbraw/zinc/74/44/93/1126744493.db2.gz DDEMBTKVADAZPA-ZWKOTPCHSA-N 0 1 298.515 3.636 20 0 CHADMN CC[C@@H](NCc1c(C)nn(C)c1C)c1cc(F)ccc1F ZINC000151137664 1126750469 /nfs/dbraw/zinc/75/04/69/1126750469.db2.gz XYVOKKPGZVGISP-MRXNPFEDSA-N 0 1 293.361 3.556 20 0 CHADMN Cc1nc(C(C)C)sc1[C@H](C)NCc1cccnc1 ZINC000151080681 1126750895 /nfs/dbraw/zinc/75/08/95/1126750895.db2.gz VJZMDSFEWVHCJO-NSHDSACASA-N 0 1 275.421 3.821 20 0 CHADMN CCc1nc(C)c(CN[C@H](c2cccs2)C2CC2)o1 ZINC000336812623 1126755950 /nfs/dbraw/zinc/75/59/50/1126755950.db2.gz ARNRSJOSAXNBAR-HNNXBMFYSA-N 0 1 276.405 3.848 20 0 CHADMN CC1=C(C)CN(Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000482457134 1126757029 /nfs/dbraw/zinc/75/70/29/1126757029.db2.gz JLLPESCAOJPNNL-UHFFFAOYSA-N 0 1 258.340 3.849 20 0 CHADMN CN(Cc1c(Cl)cccc1OC(F)F)CC1CC1 ZINC000678192880 1130367776 /nfs/dbraw/zinc/36/77/76/1130367776.db2.gz MEHGPVWLFUXQAL-UHFFFAOYSA-N 0 1 275.726 3.783 20 0 CHADMN CC[C@@]1(C)COCCN1Cc1cccc(-c2cccnc2)c1 ZINC000482499230 1126760717 /nfs/dbraw/zinc/76/07/17/1126760717.db2.gz MWXZYYGLHTVVMT-IBGZPJMESA-N 0 1 296.414 3.750 20 0 CHADMN CC[C@H]1[C@H](C)CCN1Cc1cc(F)c(F)c(F)c1 ZINC000482503462 1126762319 /nfs/dbraw/zinc/76/23/19/1126762319.db2.gz FTAQGCNAVJRIEF-RNCFNFMXSA-N 0 1 257.299 3.724 20 0 CHADMN CCCC1CCC(N(C)C(=O)c2cc(C(C)C)[nH]n2)CC1 ZINC000483075806 1126766670 /nfs/dbraw/zinc/76/66/70/1126766670.db2.gz MMPLSZMLCYQVMU-UHFFFAOYSA-N 0 1 291.439 3.964 20 0 CHADMN C[C@H](NCCCn1ccc2ccccc21)c1cscn1 ZINC000162312408 1126770735 /nfs/dbraw/zinc/77/07/35/1126770735.db2.gz AKADEXASCGVNJY-ZDUSSCGKSA-N 0 1 285.416 3.839 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2cc(O)cc(F)c2)cc1 ZINC000924784010 1126771607 /nfs/dbraw/zinc/77/16/07/1126771607.db2.gz RAKMAXTZLQCODH-LBPRGKRZSA-N 0 1 289.350 3.781 20 0 CHADMN Cc1c(C)c(C)c(CN(C)Cc2cnccn2)c(C)c1C ZINC000483205169 1126772214 /nfs/dbraw/zinc/77/22/14/1126772214.db2.gz VLOWGIXZIWGTOK-UHFFFAOYSA-N 0 1 283.419 3.651 20 0 CHADMN Cn1ncc(C2CCC2)c1CN1CC(C2CCCCC2)C1 ZINC000668231662 1126777031 /nfs/dbraw/zinc/77/70/31/1126777031.db2.gz HQRIFXVHRGVDPU-UHFFFAOYSA-N 0 1 287.451 3.700 20 0 CHADMN CC(C)CC[C@H]1CCCCN1Cc1cn(C(C)(C)C)nn1 ZINC000483293252 1126777774 /nfs/dbraw/zinc/77/77/74/1126777774.db2.gz FZOFXOXSNYNJTC-MRXNPFEDSA-N 0 1 292.471 3.824 20 0 CHADMN COC1(CN2CCc3c4ccccc4[nH]c3C2)CCCCC1 ZINC000483288077 1126778316 /nfs/dbraw/zinc/77/83/16/1126778316.db2.gz VTUNVQHRHJFIET-UHFFFAOYSA-N 0 1 298.430 3.875 20 0 CHADMN C[C@H](Cc1ccccc1Cl)N1CCC[C@@H]1CF ZINC001170293091 1130474725 /nfs/dbraw/zinc/47/47/25/1130474725.db2.gz KMFKSKFOXWAWEU-DGCLKSJQSA-N 0 1 255.764 3.705 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1ccon1 ZINC000175429668 1126782480 /nfs/dbraw/zinc/78/24/80/1126782480.db2.gz UTGWNFYJTQAKFU-RYUDHWBXSA-N 0 1 278.783 3.952 20 0 CHADMN COc1ccc(Cl)c(CN2CCCC[C@@H]2C)c1 ZINC000483513749 1126790799 /nfs/dbraw/zinc/79/07/99/1126790799.db2.gz GCDYFMIUSDWRSH-NSHDSACASA-N 0 1 253.773 3.723 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N1CCOC2(CCCC2)C1 ZINC000483497772 1126789695 /nfs/dbraw/zinc/78/96/95/1126789695.db2.gz BOKANEKLCZUBRG-MRXNPFEDSA-N 0 1 277.383 3.922 20 0 CHADMN CC(C)(C)SCCNCc1occc1Br ZINC000380034628 1126794359 /nfs/dbraw/zinc/79/43/59/1126794359.db2.gz RNNVNDISPLMNAA-UHFFFAOYSA-N 0 1 292.242 3.663 20 0 CHADMN C[C@H](N(C)Cc1cc(-c2ccco2)on1)C1(C)CC1 ZINC000177215206 1126798368 /nfs/dbraw/zinc/79/83/68/1126798368.db2.gz NZXAKXDVYCEHST-NSHDSACASA-N 0 1 260.337 3.555 20 0 CHADMN CC(C)c1noc(CN2CC[C@@H](c3ccccc3)[C@@H]2C)n1 ZINC000177550114 1126802395 /nfs/dbraw/zinc/80/23/95/1126802395.db2.gz YWASNORFNRDSJP-DZGCQCFKSA-N 0 1 285.391 3.571 20 0 CHADMN Fc1c(CN2CC[C@]3(CC3(F)F)C2)cccc1OC1CC1 ZINC000668292562 1126807122 /nfs/dbraw/zinc/80/71/22/1126807122.db2.gz JAWHDLGXAWZENC-HNNXBMFYSA-N 0 1 297.320 3.598 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Cl)s2)C[C@@H]1n1ccnc1 ZINC000177907072 1126807268 /nfs/dbraw/zinc/80/72/68/1126807268.db2.gz DNSCHCGQBAOIPX-YPMHNXCESA-N 0 1 295.839 3.681 20 0 CHADMN Cc1c([C@H](C)N[C@H]2CC(C)(C)Cc3occc32)cnn1C ZINC000177959586 1126807996 /nfs/dbraw/zinc/80/79/96/1126807996.db2.gz GLYHWTKWFAJZGB-NHYWBVRUSA-N 0 1 287.407 3.686 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H](C)C(C)C)c2C)o1 ZINC000178549153 1126816310 /nfs/dbraw/zinc/81/63/10/1126816310.db2.gz FSPDNRPNDIRNNE-SNVBAGLBSA-N 0 1 275.352 3.517 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccc([C@H](C)O)cc2)o1 ZINC000178557249 1126816598 /nfs/dbraw/zinc/81/65/98/1126816598.db2.gz LZPIPEIRFYJESO-OLZOCXBDSA-N 0 1 273.376 3.746 20 0 CHADMN CCCN(CC)Cc1cc(C)ccc1Br ZINC001137380217 1130545564 /nfs/dbraw/zinc/54/55/64/1130545564.db2.gz CXBOQTCNADXGIJ-UHFFFAOYSA-N 0 1 270.214 3.989 20 0 CHADMN COc1ccc([C@@H]2CCCN2Cc2cnn(C(C)C)c2)cc1 ZINC000178863519 1126820738 /nfs/dbraw/zinc/82/07/38/1126820738.db2.gz IWPSUNXYMZGILX-SFHVURJKSA-N 0 1 299.418 3.810 20 0 CHADMN Cc1ncc(CN(C)Cc2cccc3[nH]ccc32)s1 ZINC000179384063 1126827017 /nfs/dbraw/zinc/82/70/17/1126827017.db2.gz ZWYGWIQYRAGIIJ-UHFFFAOYSA-N 0 1 271.389 3.565 20 0 CHADMN COC[C@@H](C)N(C)Cc1cnc(-c2ccc(C)cc2)s1 ZINC000179373932 1126827086 /nfs/dbraw/zinc/82/70/86/1126827086.db2.gz USCPVKZJYIZGHF-CYBMUJFWSA-N 0 1 290.432 3.585 20 0 CHADMN C[C@@H](NCc1ccon1)[C@H](C)c1ccccc1C(F)(F)F ZINC000179430539 1126828474 /nfs/dbraw/zinc/82/84/74/1126828474.db2.gz VGEVVSGWOPSBCL-WDEREUQCSA-N 0 1 298.308 3.975 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(C2(c3ccccc3)CCC2)no1 ZINC000904105250 1126829467 /nfs/dbraw/zinc/82/94/67/1126829467.db2.gz DMAMHUXPROIXJG-HNNXBMFYSA-N 0 1 299.418 3.846 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1cnccn1)CCC2 ZINC000179526077 1126830094 /nfs/dbraw/zinc/83/00/94/1126830094.db2.gz DQVRXDMJWLSPFZ-CZUORRHYSA-N 0 1 267.376 3.513 20 0 CHADMN CN[C@@H](CC(C)C)c1nc([C@@H]2CCc3ccccc3C2)no1 ZINC000904096189 1126830193 /nfs/dbraw/zinc/83/01/93/1126830193.db2.gz GNZASHUOFQJJKD-CVEARBPZSA-N 0 1 299.418 3.649 20 0 CHADMN CC[C@@H](c1ccccc1)[C@H]1CCCN1Cc1csnn1 ZINC000179695633 1126833055 /nfs/dbraw/zinc/83/30/55/1126833055.db2.gz CVIQXQYBXGZFBC-JKSUJKDBSA-N 0 1 287.432 3.696 20 0 CHADMN CC(C)(C)CC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179828100 1126834801 /nfs/dbraw/zinc/83/48/01/1126834801.db2.gz SZVRFOJDEZKEBK-UHFFFAOYSA-N 0 1 281.306 3.875 20 0 CHADMN CC(C)[C@@H](NCCCc1ccccc1)c1nc(C2CC2)no1 ZINC000179808038 1126834977 /nfs/dbraw/zinc/83/49/77/1126834977.db2.gz KRWIPSMNRGGIDA-MRXNPFEDSA-N 0 1 299.418 3.867 20 0 CHADMN CS[C@H](C)CC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179850383 1126835532 /nfs/dbraw/zinc/83/55/32/1126835532.db2.gz UTDQPHXUWNJLIZ-SSDOTTSWSA-N 0 1 299.346 3.581 20 0 CHADMN O=C(c1ccccc1)C1CCN(Cc2ccsc2)CC1 ZINC000179880267 1126836222 /nfs/dbraw/zinc/83/62/22/1126836222.db2.gz NOPBOFOXDVIATG-UHFFFAOYSA-N 0 1 285.412 3.843 20 0 CHADMN Cc1nn(C)cc1CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000180148048 1126840470 /nfs/dbraw/zinc/84/04/70/1126840470.db2.gz XCDKRUXZMOVHOT-MRXNPFEDSA-N 0 1 289.810 3.719 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cn(C)nc1C)c1ccccc1F ZINC000180444280 1126844132 /nfs/dbraw/zinc/84/41/32/1126844132.db2.gz LOUNQHUCXZMELQ-MEDUHNTESA-N 0 1 275.371 3.670 20 0 CHADMN CCCC[C@H](CC)C[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000568639516 1126847138 /nfs/dbraw/zinc/84/71/38/1126847138.db2.gz QMWVZOCYVOAJRY-ZDUSSCGKSA-N 0 1 281.396 3.934 20 0 CHADMN COC[C@H](N[C@H]1CCc2ccc(OC)cc21)c1ccccc1 ZINC000180840663 1126849112 /nfs/dbraw/zinc/84/91/12/1126849112.db2.gz UUPXCKYFILLCSB-OALUTQOASA-N 0 1 297.398 3.660 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)N(C)CCc1nccs1 ZINC000181190034 1126853248 /nfs/dbraw/zinc/85/32/48/1126853248.db2.gz ZFTOTRFLERWWIQ-NSHDSACASA-N 0 1 287.388 3.520 20 0 CHADMN CCS[C@H](C)c1noc([C@@H]2NCC[C@H]3CCCC[C@@H]32)n1 ZINC000904628880 1126863472 /nfs/dbraw/zinc/86/34/72/1126863472.db2.gz XBZNEZXTAMFHNP-FVCCEPFGSA-N 0 1 295.452 3.725 20 0 CHADMN CCS[C@H](C)c1noc([C@@H]2NCC[C@@H]3CCCC[C@@H]23)n1 ZINC000904628882 1126863696 /nfs/dbraw/zinc/86/36/96/1126863696.db2.gz XBZNEZXTAMFHNP-YVECIDJPSA-N 0 1 295.452 3.725 20 0 CHADMN C[C@H](Sc1nc(C2CC2)n[nH]1)c1nc2ccccc2o1 ZINC000182271127 1126869276 /nfs/dbraw/zinc/86/92/76/1126869276.db2.gz SAOGSUGZXILHFX-QMMMGPOBSA-N 0 1 286.360 3.677 20 0 CHADMN C[C@H](Sc1n[nH]c(C2CC2)n1)c1nc2ccccc2o1 ZINC000182271127 1126869280 /nfs/dbraw/zinc/86/92/80/1126869280.db2.gz SAOGSUGZXILHFX-QMMMGPOBSA-N 0 1 286.360 3.677 20 0 CHADMN CC[C@H](NCc1ccc(C(C)(C)C)cc1)c1nccn1C ZINC000182680953 1126875882 /nfs/dbraw/zinc/87/58/82/1126875882.db2.gz CZDIZJBIHSBJQD-INIZCTEOSA-N 0 1 285.435 3.959 20 0 CHADMN COc1ccccc1/C=C/CN(C)[C@@H](C)c1ccccn1 ZINC000183673210 1126889886 /nfs/dbraw/zinc/88/98/86/1126889886.db2.gz URDQQKLLSHRXQI-HQPKTYMTSA-N 0 1 282.387 3.796 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2sccc21)c1nccn1C ZINC000184661038 1126896636 /nfs/dbraw/zinc/89/66/36/1126896636.db2.gz XBVFUGLSWPKALP-QWHCGFSZSA-N 0 1 275.421 3.600 20 0 CHADMN CN(Cc1ccco1)Cc1ccc(C(F)F)cc1 ZINC000183919880 1126893190 /nfs/dbraw/zinc/89/31/90/1126893190.db2.gz YPYIBAYTSKUQDV-UHFFFAOYSA-N 0 1 251.276 3.849 20 0 CHADMN CC[C@H](NCCCC(=O)OC(C)(C)C)c1nc(C)cs1 ZINC000184399513 1126895185 /nfs/dbraw/zinc/89/51/85/1126895185.db2.gz BOHFZTAFHVCWSE-LBPRGKRZSA-N 0 1 298.452 3.614 20 0 CHADMN O=C(Cc1[nH]nc2ccccc21)NCCC1=CCCCCC1 ZINC000185726336 1126902195 /nfs/dbraw/zinc/90/21/95/1126902195.db2.gz NBLXJAFUFSETJP-UHFFFAOYSA-N 0 1 297.402 3.502 20 0 CHADMN C[N@@H+](CC[C@H]1CCCC1(F)F)[C@H](C(=O)[O-])c1ccccc1 ZINC000905372778 1126899685 /nfs/dbraw/zinc/89/96/85/1126899685.db2.gz JWYMDMHGDJVWHC-KGLIPLIRSA-N 0 1 297.345 3.570 20 0 CHADMN CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000185723948 1126902545 /nfs/dbraw/zinc/90/25/45/1126902545.db2.gz PLRVCGLWDLOVLB-ZJUUUORDSA-N 0 1 293.317 3.731 20 0 CHADMN Cc1ccc2ncc(CN3CCC(c4ccco4)CC3)n2c1 ZINC000668462793 1126905275 /nfs/dbraw/zinc/90/52/75/1126905275.db2.gz RVLUOOABGOOHAD-UHFFFAOYSA-N 0 1 295.386 3.615 20 0 CHADMN Cc1ccc(C)c(CN2CCC(C(=O)C(F)(F)F)CC2)c1 ZINC000186020110 1126906038 /nfs/dbraw/zinc/90/60/38/1126906038.db2.gz DSNHCUVYJMUMBG-UHFFFAOYSA-N 0 1 299.336 3.647 20 0 CHADMN COc1cc(F)cc(CN2CCC(c3ccco3)CC2)c1 ZINC000668463609 1126906924 /nfs/dbraw/zinc/90/69/24/1126906924.db2.gz URGDLXADLGTBFX-UHFFFAOYSA-N 0 1 289.350 3.807 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(C)cc2)C2CCC2)on1 ZINC000187166522 1126908748 /nfs/dbraw/zinc/90/87/48/1126908748.db2.gz KSZSCHFVBHKDDW-KRWDZBQOSA-N 0 1 270.376 3.922 20 0 CHADMN CC(C)c1cccc(CN[C@H](c2nccn2C)C2CC2)c1 ZINC000485447645 1126914771 /nfs/dbraw/zinc/91/47/71/1126914771.db2.gz RUYJLCRMZIVTRZ-KRWDZBQOSA-N 0 1 283.419 3.784 20 0 CHADMN C[C@@H]1CCCCN(Cc2csc(-c3ccccn3)n2)C1 ZINC000187910944 1126916597 /nfs/dbraw/zinc/91/65/97/1126916597.db2.gz AWJDCFWKHPSZIK-CYBMUJFWSA-N 0 1 287.432 3.827 20 0 CHADMN C[C@H]1CC[C@]2(CCN(Cc3ccc(Cl)nc3)C2)C1 ZINC000781928410 1130749765 /nfs/dbraw/zinc/74/97/65/1130749765.db2.gz LAOGLJGIFOLIEC-WFASDCNBSA-N 0 1 264.800 3.747 20 0 CHADMN CC[C@H](NCc1cccc(CSC)c1)c1nccn1C ZINC000188720104 1126925088 /nfs/dbraw/zinc/92/50/88/1126925088.db2.gz QTFJDTHUYVPANI-HNNXBMFYSA-N 0 1 289.448 3.524 20 0 CHADMN O[C@H](CN1CC[C@@H]1C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000905954907 1126923152 /nfs/dbraw/zinc/92/31/52/1126923152.db2.gz DEUBTVYAPRFVKG-ZIAGYGMSSA-N 0 1 286.202 3.511 20 0 CHADMN Cc1cccc([C@H](O)CN2CC(C)(C)[C@@H]2c2ccncc2)c1 ZINC000905954373 1126923612 /nfs/dbraw/zinc/92/36/12/1126923612.db2.gz APSVGJXCDXGJIT-MSOLQXFVSA-N 0 1 296.414 3.507 20 0 CHADMN Fc1cccc([C@@H](NC[C@H]2CCC=CO2)c2ccccn2)c1 ZINC000188570284 1126924322 /nfs/dbraw/zinc/92/43/22/1126924322.db2.gz QRUKBYDKIFXZDS-SJLPKXTDSA-N 0 1 298.361 3.592 20 0 CHADMN COCC1(C2CCC2)CN(C/C=C\c2ccc(F)cc2)C1 ZINC000668513418 1126924609 /nfs/dbraw/zinc/92/46/09/1126924609.db2.gz ISYDXSKWTJPYPQ-ARJAWSKDSA-N 0 1 289.394 3.587 20 0 CHADMN Cc1nccnc1[C@H](C)NCCOc1ccccc1C(C)C ZINC000188191106 1126920980 /nfs/dbraw/zinc/92/09/80/1126920980.db2.gz REVRBMUOFPHJOR-HNNXBMFYSA-N 0 1 299.418 3.638 20 0 CHADMN CCCOc1ccc(CNCc2ccco2)c(C)c1 ZINC000188794672 1126926276 /nfs/dbraw/zinc/92/62/76/1126926276.db2.gz FHCAHRQAQBPYIH-UHFFFAOYSA-N 0 1 259.349 3.667 20 0 CHADMN O=C(NC1CCC(c2ccc(F)cc2)CC1)C(F)(F)F ZINC000782089018 1130754933 /nfs/dbraw/zinc/75/49/33/1130754933.db2.gz PGEZYXQYKCWDIQ-UHFFFAOYSA-N 0 1 289.272 3.530 20 0 CHADMN c1ccc2ncc(-c3cnc([C@@H]4CCCCN4)nc3)cc2c1 ZINC000906153839 1126930675 /nfs/dbraw/zinc/93/06/75/1126930675.db2.gz WANGRFTWNDKVDJ-KRWDZBQOSA-N 0 1 290.370 3.506 20 0 CHADMN Cc1cncc(CN[C@@H](c2ncccc2C)C(C)C)c1 ZINC000189954024 1126936785 /nfs/dbraw/zinc/93/67/85/1126936785.db2.gz QEGLVQLDTZRXSF-MRXNPFEDSA-N 0 1 269.392 3.580 20 0 CHADMN c1cnc2c(c1)cccc2-c1cnc([C@@H]2CCCCN2)nc1 ZINC000906163638 1126936843 /nfs/dbraw/zinc/93/68/43/1126936843.db2.gz DOUDYHRLGCDMGB-INIZCTEOSA-N 0 1 290.370 3.506 20 0 CHADMN C[C@H](NCC[C@H]1CCCO1)c1ncc(-c2ccccc2)o1 ZINC000189964390 1126937068 /nfs/dbraw/zinc/93/70/68/1126937068.db2.gz HVPHWKIUCDXKDB-DZGCQCFKSA-N 0 1 286.375 3.561 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1c(Cl)cnn1C)CCC2 ZINC000189376593 1126931472 /nfs/dbraw/zinc/93/14/72/1126931472.db2.gz GNHOMWMHRSODCD-HNNXBMFYSA-N 0 1 289.810 3.549 20 0 CHADMN COc1ccccc1CNCc1cccc(CSC)c1 ZINC000189483108 1126932076 /nfs/dbraw/zinc/93/20/76/1126932076.db2.gz KEJOSWBRJCJPJP-UHFFFAOYSA-N 0 1 287.428 3.848 20 0 CHADMN Cc1ccc(-c2cnc([C@H]3CCCCN3)nc2)cc1C ZINC000906173054 1126933765 /nfs/dbraw/zinc/93/37/65/1126933765.db2.gz XFBMTZDNXAGIBF-MRXNPFEDSA-N 0 1 267.376 3.575 20 0 CHADMN Clc1ccc(-c2cnc([C@@H]3CCCCN3)nc2)s1 ZINC000906177805 1126934628 /nfs/dbraw/zinc/93/46/28/1126934628.db2.gz ARTBDSVNYFKQSA-JTQLQIEISA-N 0 1 279.796 3.673 20 0 CHADMN Cc1[nH]nc2ccc(-c3ccc4c(c3)OCCC[C@@H]4O)cc12 ZINC000906205746 1126938061 /nfs/dbraw/zinc/93/80/61/1126938061.db2.gz UKGCEEMLLGBZTM-KRWDZBQOSA-N 0 1 294.354 3.744 20 0 CHADMN C[C@@H]1CSCCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000190444660 1126941942 /nfs/dbraw/zinc/94/19/42/1126941942.db2.gz USOYBIPMTLPJDC-ZDUSSCGKSA-N 0 1 288.416 3.527 20 0 CHADMN Cc1c([C@H](C)NCc2ccc(F)cc2)cnn1C(C)(C)C ZINC000191103124 1126947795 /nfs/dbraw/zinc/94/77/95/1126947795.db2.gz SCWZLPDRYLPQNR-LBPRGKRZSA-N 0 1 289.398 3.936 20 0 CHADMN CCCCN(CCC)Cc1ccnc(OC)c1Cl ZINC001235834481 1130784479 /nfs/dbraw/zinc/78/44/79/1130784479.db2.gz WHGYDXKVIWYPBA-UHFFFAOYSA-N 0 1 270.804 3.756 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2cc(F)cc(Cl)c2)C1 ZINC000485727729 1126946976 /nfs/dbraw/zinc/94/69/76/1126946976.db2.gz LCTGNMIAFXDIRA-GFCCVEGCSA-N 0 1 285.790 3.728 20 0 CHADMN CC(C)(C)c1cccc(NC(=O)c2cn[nH]c2C2CC2)c1O ZINC000191047244 1126947122 /nfs/dbraw/zinc/94/71/22/1126947122.db2.gz OPRMJUXICSBREO-UHFFFAOYSA-N 0 1 299.374 3.543 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1ccoc1)CCS2 ZINC000191499791 1126952836 /nfs/dbraw/zinc/95/28/36/1126952836.db2.gz OJVRVEUROBUQSQ-CQSZACIVSA-N 0 1 275.373 3.615 20 0 CHADMN CCCCC[C@@](C)(CC)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000813900346 1130795637 /nfs/dbraw/zinc/79/56/37/1130795637.db2.gz UAXRGFOSHCVIOO-MRXNPFEDSA-N 0 1 295.427 3.968 20 0 CHADMN CCCCC[C@@](C)(CC)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000813900346 1130795644 /nfs/dbraw/zinc/79/56/44/1130795644.db2.gz UAXRGFOSHCVIOO-MRXNPFEDSA-N 0 1 295.427 3.968 20 0 CHADMN Fc1cccc([C@@H]2C[C@H]2[N@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000906585874 1126958744 /nfs/dbraw/zinc/95/87/44/1126958744.db2.gz BAOZRNSNVVAQKY-WCFLWFBJSA-N 0 1 273.273 3.566 20 0 CHADMN Fc1cccc([C@@H]2C[C@H]2N2CC[C@H](C(F)(F)F)C2)c1 ZINC000906585874 1126958746 /nfs/dbraw/zinc/95/87/46/1126958746.db2.gz BAOZRNSNVVAQKY-WCFLWFBJSA-N 0 1 273.273 3.566 20 0 CHADMN O=C1CCCC12CCN([C@@H]1C[C@H]1c1cccc(F)c1)CC2 ZINC000906590159 1126959418 /nfs/dbraw/zinc/95/94/18/1126959418.db2.gz NVMSKTMPUOSLCO-JKSUJKDBSA-N 0 1 287.378 3.517 20 0 CHADMN CC(C)(CNCc1cocn1)Cc1cccc(Cl)c1 ZINC000192324684 1126960905 /nfs/dbraw/zinc/96/09/05/1126960905.db2.gz RYTGROMHXXRZEK-UHFFFAOYSA-N 0 1 278.783 3.687 20 0 CHADMN O=C(Nc1cccc(-c2nnc[nH]2)c1)[C@H]1CCC=CCCC1 ZINC000906684504 1126962386 /nfs/dbraw/zinc/96/23/86/1126962386.db2.gz BICNGZUIZRSICQ-ZDUSSCGKSA-N 0 1 296.374 3.547 20 0 CHADMN COC[C@@H](NCc1cc(Cl)cs1)c1ccccc1 ZINC000193103532 1126966482 /nfs/dbraw/zinc/96/64/82/1126966482.db2.gz NPBDSWYWWSOIRL-CQSZACIVSA-N 0 1 281.808 3.879 20 0 CHADMN C[C@H]1SCCN(Cc2cnc(-c3ccco3)s2)[C@@H]1C ZINC000194404251 1126974110 /nfs/dbraw/zinc/97/41/10/1126974110.db2.gz QASVUPZLGXWMIH-GHMZBOCLSA-N 0 1 294.445 3.729 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NCc1ccc(C)c(Cl)c1 ZINC000195441416 1126979297 /nfs/dbraw/zinc/97/92/97/1126979297.db2.gz ALXNRICHJBYTME-NSHDSACASA-N 0 1 277.799 3.541 20 0 CHADMN Clc1ccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)o1 ZINC000668628630 1126985808 /nfs/dbraw/zinc/98/58/08/1126985808.db2.gz YURREYLLRNUPJS-TZMCWYRMSA-N 0 1 283.799 3.714 20 0 CHADMN COc1ncccc1CN1CCC(Cc2ccccc2)CC1 ZINC000166955466 1126994412 /nfs/dbraw/zinc/99/44/12/1126994412.db2.gz OCOQKXKSZQPLLO-UHFFFAOYSA-N 0 1 296.414 3.545 20 0 CHADMN c1cc(Sc2ccccn2)oc1CN1CC[C@H]2C[C@H]2C1 ZINC000668677814 1127000001 /nfs/dbraw/zinc/00/00/01/1127000001.db2.gz XXDBQDRKDZODFA-STQMWFEESA-N 0 1 286.400 3.668 20 0 CHADMN COC[C@H](NCc1cc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000486684543 1126996114 /nfs/dbraw/zinc/99/61/14/1126996114.db2.gz NTTQDBATEJVHBR-SFHVURJKSA-N 0 1 298.361 3.784 20 0 CHADMN C[C@@]1(Cc2ccccc2Cl)CCCN1Cc1cocn1 ZINC000668670689 1126996562 /nfs/dbraw/zinc/99/65/62/1126996562.db2.gz KSXFCTCXPIESKW-INIZCTEOSA-N 0 1 290.794 3.925 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1Cc1nc(-c2ccoc2)no1 ZINC000486778005 1127001870 /nfs/dbraw/zinc/00/18/70/1127001870.db2.gz LAUKSOWZQDXIGT-CQSZACIVSA-N 0 1 289.379 3.874 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1nc(-c2ccoc2)no1 ZINC000486778005 1127001874 /nfs/dbraw/zinc/00/18/74/1127001874.db2.gz LAUKSOWZQDXIGT-CQSZACIVSA-N 0 1 289.379 3.874 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1occc1C(=O)OC ZINC000486814625 1127004468 /nfs/dbraw/zinc/00/44/68/1127004468.db2.gz USNYTNSAUWPQJK-ZDUSSCGKSA-N 0 1 279.380 3.611 20 0 CHADMN CCC=CNc1nnc(Cl)c2cccc(F)c21 ZINC001170763328 1130907781 /nfs/dbraw/zinc/90/77/81/1130907781.db2.gz FHIPCGNRXNATND-XVNBXDOJSA-N 0 1 251.692 3.758 20 0 CHADMN CC(C)n1ccnc1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268056077 1127010463 /nfs/dbraw/zinc/01/04/63/1127010463.db2.gz YEGBNGLMTDBMMT-OAHLLOKOSA-N 0 1 287.382 3.593 20 0 CHADMN CC(C)n1ccnc1CN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268056077 1127010467 /nfs/dbraw/zinc/01/04/67/1127010467.db2.gz YEGBNGLMTDBMMT-OAHLLOKOSA-N 0 1 287.382 3.593 20 0 CHADMN CN(C)Cc1ccsc1C(=O)NCCCC1CCCC1 ZINC000268096407 1127011302 /nfs/dbraw/zinc/01/13/02/1127011302.db2.gz JVTKWAHUXDOPTP-UHFFFAOYSA-N 0 1 294.464 3.510 20 0 CHADMN CCc1ccc(N(CC2CC2)C(=O)c2[nH]c(C)nc2C)cc1 ZINC000908973046 1127019764 /nfs/dbraw/zinc/01/97/64/1127019764.db2.gz HGSFWTCDNSCIDL-UHFFFAOYSA-N 0 1 297.402 3.646 20 0 CHADMN C[C@@H](NCc1ccc(F)cn1)c1ccc(OC(F)F)cc1 ZINC000268597734 1127019153 /nfs/dbraw/zinc/01/91/53/1127019153.db2.gz HPXIVNUAZOCPOL-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN c1coc(CN2CCC3(C=Cc4ccccc4O3)CC2)c1 ZINC000668758905 1127024594 /nfs/dbraw/zinc/02/45/94/1127024594.db2.gz MZNYENOSWFSHJJ-UHFFFAOYSA-N 0 1 281.355 3.720 20 0 CHADMN C[C@@H](NCc1ccc(N(C)C)nc1)c1cc2ccccc2o1 ZINC000268745857 1127021658 /nfs/dbraw/zinc/02/16/58/1127021658.db2.gz FUEXAKQGEHDVBE-CYBMUJFWSA-N 0 1 295.386 3.745 20 0 CHADMN CC[C@@H](C)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000268725197 1127021785 /nfs/dbraw/zinc/02/17/85/1127021785.db2.gz AIXLVLXFULTGQX-BXUZGUMPSA-N 0 1 277.799 3.551 20 0 CHADMN CC(C)[C@H](C)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000268734670 1127022001 /nfs/dbraw/zinc/02/20/01/1127022001.db2.gz DCCBHGQCSSPBAJ-SWLSCSKDSA-N 0 1 291.826 3.797 20 0 CHADMN C[C@@H](CC(=O)Nc1ncc(C(F)(F)F)[nH]1)c1ccccc1 ZINC000268751279 1127022758 /nfs/dbraw/zinc/02/27/58/1127022758.db2.gz VDWSDDMOAKOTIC-VIFPVBQESA-N 0 1 297.280 3.561 20 0 CHADMN Cc1ccc([C@H](C)NCc2cn3cc(C)ccc3n2)s1 ZINC000268822218 1127025149 /nfs/dbraw/zinc/02/51/49/1127025149.db2.gz ABVZZQWTOVXXPS-ZDUSSCGKSA-N 0 1 285.416 3.863 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H]2CCSc3ccccc32)c(C)n1 ZINC000268828114 1127025876 /nfs/dbraw/zinc/02/58/76/1127025876.db2.gz QFUBHYLOVBZTFL-WBMJQRKESA-N 0 1 299.443 3.981 20 0 CHADMN COc1cccc([C@@H](C)N[C@H](C)c2cnc(C)nc2C)c1 ZINC000268826340 1127025912 /nfs/dbraw/zinc/02/59/12/1127025912.db2.gz ZDXNBVLGERKAOO-VXGBXAGGSA-N 0 1 285.391 3.514 20 0 CHADMN CCn1cc([C@H](C)NCc2cccc(OC(C)C)c2)cn1 ZINC000268861705 1127026689 /nfs/dbraw/zinc/02/66/89/1127026689.db2.gz MSOWTXFMDDVHHR-AWEZNQCLSA-N 0 1 287.407 3.541 20 0 CHADMN CCCCCC[C@H](C)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268940463 1127028940 /nfs/dbraw/zinc/02/89/40/1127028940.db2.gz GSBGMKYJFYGMFZ-GXTWGEPZSA-N 0 1 277.412 3.510 20 0 CHADMN CO[C@H]1CCCN(Cc2ccc(C(C)C)nc2Cl)CC1 ZINC001238729215 1131239266 /nfs/dbraw/zinc/23/92/66/1131239266.db2.gz REQKUEFQBIOKBH-AWEZNQCLSA-N 0 1 296.842 3.859 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccc(F)cn2)cc1 ZINC000269049845 1127033977 /nfs/dbraw/zinc/03/39/77/1127033977.db2.gz ZKOUZNRENRVTMG-GFCCVEGCSA-N 0 1 258.340 3.634 20 0 CHADMN Cc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccsc1 ZINC000669828499 1127031866 /nfs/dbraw/zinc/03/18/66/1127031866.db2.gz OECWWWRSPPSQEW-CHWSQXEVSA-N 0 1 288.416 3.734 20 0 CHADMN CCC(CC)c1cc(CNC/C=C\c2ccncc2)on1 ZINC000487303628 1127031904 /nfs/dbraw/zinc/03/19/04/1127031904.db2.gz BUOUWWUKVFOTDA-WAYWQWQTSA-N 0 1 285.391 3.776 20 0 CHADMN Cn1cccc1CN[C@H]1CCCOc2c(Cl)cccc21 ZINC000269011511 1127032970 /nfs/dbraw/zinc/03/29/70/1127032970.db2.gz XJSMGKMDHABYOZ-HNNXBMFYSA-N 0 1 290.794 3.682 20 0 CHADMN CSc1cc(CNCc2sccc2Cl)ccn1 ZINC000487570688 1127036241 /nfs/dbraw/zinc/03/62/41/1127036241.db2.gz GXGNTLIKJLYXHT-UHFFFAOYSA-N 0 1 284.837 3.808 20 0 CHADMN CCn1ccnc1[C@@H]1CCCCN1CCSC(C)(C)C ZINC000815105718 1130962588 /nfs/dbraw/zinc/96/25/88/1130962588.db2.gz QYRHCGIBXJZTST-AWEZNQCLSA-N 0 1 295.496 3.962 20 0 CHADMN Cc1nc([C@H](C)NC[C@H](C)N(C)c2ccccc2)cs1 ZINC000269396702 1127038794 /nfs/dbraw/zinc/03/87/94/1127038794.db2.gz FDHJXRAGUYXNCU-STQMWFEESA-N 0 1 289.448 3.627 20 0 CHADMN Cc1ccncc1CN1C[C@H](C)[C@H]1c1ccccc1 ZINC000269589979 1127042905 /nfs/dbraw/zinc/04/29/05/1127042905.db2.gz HWJBXYCVBRJCGD-YOEHRIQHSA-N 0 1 252.361 3.583 20 0 CHADMN CCOc1ccc(-c2nc(CN3CC[C@H](C)C3)co2)cc1 ZINC000269605303 1127042302 /nfs/dbraw/zinc/04/23/02/1127042302.db2.gz WZINZZCHBZOEBS-ZDUSSCGKSA-N 0 1 286.375 3.582 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H]3CC3(C)C)[nH]c2c1 ZINC000269741503 1127045627 /nfs/dbraw/zinc/04/56/27/1127045627.db2.gz KHLHDPFVWMBOTL-WFASDCNBSA-N 0 1 297.402 3.581 20 0 CHADMN FC(F)(F)CCCC[N@H+]1CCc2sccc2C1 ZINC000269839996 1127046110 /nfs/dbraw/zinc/04/61/10/1127046110.db2.gz HIQJYSJJCPZJEK-UHFFFAOYSA-N 0 1 263.328 3.839 20 0 CHADMN FC(F)(F)CCCCN1CCc2sccc2C1 ZINC000269839996 1127046111 /nfs/dbraw/zinc/04/61/11/1127046111.db2.gz HIQJYSJJCPZJEK-UHFFFAOYSA-N 0 1 263.328 3.839 20 0 CHADMN CC(C)[C@H](C)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000269891158 1127046980 /nfs/dbraw/zinc/04/69/80/1127046980.db2.gz RAFPHRZZJYESGZ-QMMMGPOBSA-N 0 1 266.332 3.638 20 0 CHADMN COc1cc(C)nc(CN2CCC[C@@H]2c2cccs2)c1 ZINC000270263705 1127052676 /nfs/dbraw/zinc/05/26/76/1127052676.db2.gz KGUCHZVWZPKLBS-OAHLLOKOSA-N 0 1 288.416 3.797 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1C[C@H](C)C[C@@H](C)C1 ZINC000488040789 1127053780 /nfs/dbraw/zinc/05/37/80/1127053780.db2.gz GHHLHIBQOVXPGO-CHWSQXEVSA-N 0 1 289.398 3.673 20 0 CHADMN Cc1noc(C)c1C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000270355838 1127053903 /nfs/dbraw/zinc/05/39/03/1127053903.db2.gz IYCJGPZJTIDXJR-UHFFFAOYSA-N 0 1 270.376 3.585 20 0 CHADMN Cc1noc(C)c1CN1Cc2ccccc2C(C)(C)C1 ZINC000270355838 1127053908 /nfs/dbraw/zinc/05/39/08/1127053908.db2.gz IYCJGPZJTIDXJR-UHFFFAOYSA-N 0 1 270.376 3.585 20 0 CHADMN CN(Cc1ncc(C2CC2)o1)[C@H]1CCc2ccccc2C1 ZINC000270528490 1127057295 /nfs/dbraw/zinc/05/72/95/1127057295.db2.gz FBHZJVCUABWPSV-INIZCTEOSA-N 0 1 282.387 3.541 20 0 CHADMN Fc1ccc([C@@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)C2)cc1 ZINC000270661555 1127059269 /nfs/dbraw/zinc/05/92/69/1127059269.db2.gz VVKRMIYBYQQQSN-CQSZACIVSA-N 0 1 286.350 3.681 20 0 CHADMN Fc1ccc([C@@H]2CCN(Cc3ncc(C4CC4)o3)C2)cc1 ZINC000270661555 1127059273 /nfs/dbraw/zinc/05/92/73/1127059273.db2.gz VVKRMIYBYQQQSN-CQSZACIVSA-N 0 1 286.350 3.681 20 0 CHADMN C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000270704567 1127060730 /nfs/dbraw/zinc/06/07/30/1127060730.db2.gz MUUQAYJGMOUSQO-INIZCTEOSA-N 0 1 295.430 3.875 20 0 CHADMN C[C@@H](c1cccnc1)N(C)Cc1ccccc1N1CCCC1 ZINC000270704567 1127060734 /nfs/dbraw/zinc/06/07/34/1127060734.db2.gz MUUQAYJGMOUSQO-INIZCTEOSA-N 0 1 295.430 3.875 20 0 CHADMN Cc1ccc(SCc2n[nH]c(C(C)C)n2)c(C)c1 ZINC000488229215 1127064271 /nfs/dbraw/zinc/06/42/71/1127064271.db2.gz ZVDJMUWJDDDQMZ-UHFFFAOYSA-N 0 1 261.394 3.837 20 0 CHADMN COc1ncccc1CN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000488246601 1127065768 /nfs/dbraw/zinc/06/57/68/1127065768.db2.gz IRWVXICWDGQBMS-YUIUBULTSA-N 0 1 294.398 3.768 20 0 CHADMN COCc1ccc(CN(C)[C@H](C)c2ccccc2)o1 ZINC000271031257 1127065953 /nfs/dbraw/zinc/06/59/53/1127065953.db2.gz HSRUPVKFVUVFQT-CYBMUJFWSA-N 0 1 259.349 3.619 20 0 CHADMN Cc1ncsc1CN1CC=C(c2ccc(F)cc2)CC1 ZINC000271046355 1127066009 /nfs/dbraw/zinc/06/60/09/1127066009.db2.gz RPMVPUZRKOZWGL-UHFFFAOYSA-N 0 1 288.391 3.880 20 0 CHADMN C[C@H]1CCCCCN1Cc1ccc(Br)c(O)c1 ZINC001236685852 1130994675 /nfs/dbraw/zinc/99/46/75/1130994675.db2.gz PEYRJRTXMSAWEX-NSHDSACASA-N 0 1 298.224 3.919 20 0 CHADMN CC[C@H](C)[C@@H](C)NC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000488267522 1127066102 /nfs/dbraw/zinc/06/61/02/1127066102.db2.gz LZAPSCJBJSMDDL-ZMSDIMECSA-N 0 1 290.451 3.620 20 0 CHADMN C[C@@H](NCC(C)(C)c1ccccc1F)c1cscn1 ZINC000271073789 1127066912 /nfs/dbraw/zinc/06/69/12/1127066912.db2.gz FWSSYQXTVGAKNZ-LLVKDONJSA-N 0 1 278.396 3.911 20 0 CHADMN [O-]c1cc(C[N@@H+]2CCCC3(CCCC3)C2)ccc1F ZINC001236699149 1130995705 /nfs/dbraw/zinc/99/57/05/1130995705.db2.gz MNSOIJXJARSXRN-UHFFFAOYSA-N 0 1 263.356 3.688 20 0 CHADMN [O-]c1cc(C[N@H+]2CCCC3(CCCC3)C2)ccc1F ZINC001236699149 1130995709 /nfs/dbraw/zinc/99/57/09/1130995709.db2.gz MNSOIJXJARSXRN-UHFFFAOYSA-N 0 1 263.356 3.688 20 0 CHADMN CCCN(Cc1c[nH]nc1C)[C@H](C)c1ccccc1OC ZINC000271103596 1127068610 /nfs/dbraw/zinc/06/86/10/1127068610.db2.gz QMDXKWYPACBSQN-CQSZACIVSA-N 0 1 287.407 3.700 20 0 CHADMN Cc1cccc(OC[C@H](C)N[C@@H](C)c2cscn2)c1 ZINC000271119723 1127069939 /nfs/dbraw/zinc/06/99/39/1127069939.db2.gz JCIPVZWJCUGZRO-STQMWFEESA-N 0 1 276.405 3.570 20 0 CHADMN Cc1ncsc1CN(C)Cc1ccc2ncccc2c1 ZINC000271159745 1127070874 /nfs/dbraw/zinc/07/08/74/1127070874.db2.gz PNZKBONBMIMJQV-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN C[C@@H](CCc1ccco1)NCc1nnc(C(C)(C)C)s1 ZINC000271453758 1127082597 /nfs/dbraw/zinc/08/25/97/1127082597.db2.gz GKPHQWCHJGSAPJ-NSHDSACASA-N 0 1 293.436 3.540 20 0 CHADMN Cc1ccc(NC(=O)CNC2(c3ccccc3C)CC2)cc1 ZINC000645979802 1127079130 /nfs/dbraw/zinc/07/91/30/1127079130.db2.gz GPXCGJVNWXZUDW-UHFFFAOYSA-N 0 1 294.398 3.521 20 0 CHADMN CC[C@H](CN[C@H](C)c1cscn1)Oc1ccccc1C ZINC000271425971 1127080872 /nfs/dbraw/zinc/08/08/72/1127080872.db2.gz BHHHJRUQOGWPJS-ZIAGYGMSSA-N 0 1 290.432 3.960 20 0 CHADMN COC[C@H](NCc1cncc(C)c1)c1ccc(Cl)cc1 ZINC000488736442 1127081144 /nfs/dbraw/zinc/08/11/44/1127081144.db2.gz QAEDONCIEPSBAQ-INIZCTEOSA-N 0 1 290.794 3.521 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H]2CCCc3c[nH]nc32)s1 ZINC000271442455 1127081994 /nfs/dbraw/zinc/08/19/94/1127081994.db2.gz CMBYYPWFCNJLTL-GXFFZTMASA-N 0 1 275.421 3.762 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc(OC(F)(F)F)c1)c1cn[nH]c1 ZINC000271451566 1127082722 /nfs/dbraw/zinc/08/27/22/1127082722.db2.gz GERZJMUVTHYFDM-UWVGGRQHSA-N 0 1 299.296 3.720 20 0 CHADMN Cc1cnc(CN2CC[C@H](c3ccc(F)cc3)C2)s1 ZINC000271373486 1127077949 /nfs/dbraw/zinc/07/79/49/1127077949.db2.gz NPJNEESHAQVLPE-ZDUSSCGKSA-N 0 1 276.380 3.580 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H](C)Oc2ccccc2)cs1 ZINC000271450385 1127082846 /nfs/dbraw/zinc/08/28/46/1127082846.db2.gz IBGUJEQUHUIRFV-NEPJUHHUSA-N 0 1 276.405 3.570 20 0 CHADMN CC[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(F)cc1 ZINC000271449300 1127082889 /nfs/dbraw/zinc/08/28/89/1127082889.db2.gz DHCCNESQHSYWKO-GJZGRUSLSA-N 0 1 273.355 3.667 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H]2CCc3cc(F)ccc32)c1 ZINC000924841711 1127084092 /nfs/dbraw/zinc/08/40/92/1127084092.db2.gz DBNYOCVAJHEJHM-MEDUHNTESA-N 0 1 286.350 3.567 20 0 CHADMN COc1cc(CN2[C@H](C)CCC[C@@H]2C)c(F)cc1F ZINC001236816342 1131013762 /nfs/dbraw/zinc/01/37/62/1131013762.db2.gz YJEQBFXFVJMLNM-PHIMTYICSA-N 0 1 269.335 3.736 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCCc3c[nH]nc32)c(C)s1 ZINC000271486734 1127085856 /nfs/dbraw/zinc/08/58/56/1127085856.db2.gz JTAJDNBTUKUEDO-QMTHXVAHSA-N 0 1 275.421 3.816 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(Cl)s1 ZINC000271488748 1127086008 /nfs/dbraw/zinc/08/60/08/1127086008.db2.gz ONWADLTXSWPLHZ-CABZTGNLSA-N 0 1 299.798 3.925 20 0 CHADMN CSc1ccc([C@@H](C)N[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000271500586 1127086509 /nfs/dbraw/zinc/08/65/09/1127086509.db2.gz LTWYVOFQXLLWOO-IAQYHMDHSA-N 0 1 287.432 3.860 20 0 CHADMN CSc1ccc([C@H](C)N[C@H]2CCCc3c[nH]nc32)cc1 ZINC000271500590 1127086607 /nfs/dbraw/zinc/08/66/07/1127086607.db2.gz LTWYVOFQXLLWOO-NHYWBVRUSA-N 0 1 287.432 3.860 20 0 CHADMN CO[C@H](CN[C@@H](C)c1nccs1)c1ccc(Cl)cc1 ZINC000271494588 1127087015 /nfs/dbraw/zinc/08/70/15/1127087015.db2.gz KPJDAYLADJQGGK-GXFFZTMASA-N 0 1 296.823 3.835 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1nccs1)c1ccc(Cl)cc1 ZINC000271494586 1127087056 /nfs/dbraw/zinc/08/70/56/1127087056.db2.gz KPJDAYLADJQGGK-GWCFXTLKSA-N 0 1 296.823 3.835 20 0 CHADMN CCc1nc([C@H](C)N[C@H](CC)c2ccc(Cl)s2)n[nH]1 ZINC000271514207 1127088534 /nfs/dbraw/zinc/08/85/34/1127088534.db2.gz NOHFSIRJXBFAQW-DTWKUNHWSA-N 0 1 298.843 3.884 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c[nH]nc21)c1cnc2ccsc2c1 ZINC000271542529 1127090872 /nfs/dbraw/zinc/09/08/72/1127090872.db2.gz SWIFQDGQEZQQDE-IINYFYTJSA-N 0 1 298.415 3.748 20 0 CHADMN COc1cc(Cl)ccc1CN[C@@H](C)c1cnccc1C ZINC000271552148 1127090924 /nfs/dbraw/zinc/09/09/24/1127090924.db2.gz MNXRJPKYXLPWIH-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CC[C@H](N[C@H](C)c1ccco1)[C@H](O)c1c(F)cccc1F ZINC000271569266 1127092884 /nfs/dbraw/zinc/09/28/84/1127092884.db2.gz YWCXPCUIEIJJMG-HICWGWBUSA-N 0 1 295.329 3.721 20 0 CHADMN Cc1ccsc1[C@@H](C)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000271599095 1127094501 /nfs/dbraw/zinc/09/45/01/1127094501.db2.gz ZICGNFABMBBTJL-GHMZBOCLSA-N 0 1 278.425 3.710 20 0 CHADMN CC(C)[C@H](NCc1ccc(F)cn1)c1ccccc1 ZINC000271608511 1127094863 /nfs/dbraw/zinc/09/48/63/1127094863.db2.gz AJMSBKPZRJUSLD-INIZCTEOSA-N 0 1 258.340 3.708 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2N[C@H](C)c1cn2c(n1)CCCC2 ZINC000924844618 1127095116 /nfs/dbraw/zinc/09/51/16/1127095116.db2.gz VZPKHYXTKDKTQY-RHSMWYFYSA-N 0 1 295.430 3.866 20 0 CHADMN COc1ccccc1[C@@H](NCc1c[nH]nc1C)C1CCCC1 ZINC000271639190 1127096078 /nfs/dbraw/zinc/09/60/78/1127096078.db2.gz DPJNNGGYZSBBAB-SFHVURJKSA-N 0 1 299.418 3.748 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1ccnc(Cl)c1 ZINC000271642742 1127096195 /nfs/dbraw/zinc/09/61/95/1127096195.db2.gz HMNHUTGADRSHKK-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Fc1ccc([C@@H](NCc2ccno2)C2CCCC2)cc1 ZINC000271692135 1127096619 /nfs/dbraw/zinc/09/66/19/1127096619.db2.gz RSMGPVMWNJXEAS-INIZCTEOSA-N 0 1 274.339 3.835 20 0 CHADMN CC[C@H]1CCCCCN1Cc1nnc(C(C)(C)C)o1 ZINC000150742180 1127102108 /nfs/dbraw/zinc/10/21/08/1127102108.db2.gz VTEGABMTTRWLCI-LBPRGKRZSA-N 0 1 265.401 3.522 20 0 CHADMN CCc1nc([C@@H](C)NC[C@@H]2CCC3(CCCC3)O2)cs1 ZINC000570461050 1127104924 /nfs/dbraw/zinc/10/49/24/1127104924.db2.gz NJMWZKMUFCXHHU-OLZOCXBDSA-N 0 1 294.464 3.848 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H](c2ccccc2)C2CCCC2)c2ncnn21 ZINC000924847352 1127107024 /nfs/dbraw/zinc/10/70/24/1127107024.db2.gz UAHKWQKUXXQLRA-COXVUDFISA-N 0 1 296.418 3.805 20 0 CHADMN Cc1cc(Cl)ccc1CN[C@@H]1CCCc2c[nH]nc21 ZINC000274297990 1127111705 /nfs/dbraw/zinc/11/17/05/1127111705.db2.gz MUDULZPMNKOHIJ-CQSZACIVSA-N 0 1 275.783 3.539 20 0 CHADMN COc1cccc(C2(N[C@@H](C)c3cncc(C)c3)CC2)c1 ZINC000274346011 1127113422 /nfs/dbraw/zinc/11/34/22/1127113422.db2.gz FBQCYEBXAQHGTC-AWEZNQCLSA-N 0 1 282.387 3.739 20 0 CHADMN Cc1cncc([C@H](C)NC2(c3ccccc3)CC2)c1 ZINC000274347334 1127113567 /nfs/dbraw/zinc/11/35/67/1127113567.db2.gz FNNWIUHZGMNHEK-AWEZNQCLSA-N 0 1 252.361 3.730 20 0 CHADMN CCCCOCCN[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000924852503 1127118240 /nfs/dbraw/zinc/11/82/40/1127118240.db2.gz GYVCDZWUASKSCI-IBGZPJMESA-N 0 1 298.430 3.886 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1cn(C)nc1C(F)F ZINC000274486834 1127120549 /nfs/dbraw/zinc/12/05/49/1127120549.db2.gz NVXKEAQTWLDAIE-LLVKDONJSA-N 0 1 279.334 3.551 20 0 CHADMN COCC[C@H](N[C@H](C)c1ncc(C)s1)c1ccccc1 ZINC000348513975 1127120758 /nfs/dbraw/zinc/12/07/58/1127120758.db2.gz KMYVQTOFCOKNRL-HIFRSBDPSA-N 0 1 290.432 3.880 20 0 CHADMN Cc1ccc2nc(-c3cnccc3C(F)(F)F)[nH]c2c1 ZINC000717871127 1127121727 /nfs/dbraw/zinc/12/17/27/1127121727.db2.gz CJAOPQPQIUYBRL-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN CCCOc1ccc(CNCc2ccoc2C)cc1 ZINC000348814979 1127129708 /nfs/dbraw/zinc/12/97/08/1127129708.db2.gz UTLGYHWOXGTVML-UHFFFAOYSA-N 0 1 259.349 3.667 20 0 CHADMN COc1ccc(CN[C@@H](c2ccccc2C)C(C)(C)C)nn1 ZINC000283315581 1127131498 /nfs/dbraw/zinc/13/14/98/1127131498.db2.gz ZIDOXLDICKHARE-KRWDZBQOSA-N 0 1 299.418 3.671 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cc(O)cc(F)c2)cc1 ZINC000924857305 1127131572 /nfs/dbraw/zinc/13/15/72/1127131572.db2.gz GURFIQMOTFXCEC-RYUDHWBXSA-N 0 1 289.350 3.952 20 0 CHADMN CCN(C/C=C/c1ccc(F)cc1F)Cc1ccncc1 ZINC000348890214 1127133444 /nfs/dbraw/zinc/13/34/44/1127133444.db2.gz DKXBGOBKHBOYBR-ONEGZZNKSA-N 0 1 288.341 3.895 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccncc2)ccc1F ZINC000348904101 1127133932 /nfs/dbraw/zinc/13/39/32/1127133932.db2.gz KQCJXXFUCZMTMD-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CCN(Cc1ccncc1)Cc1ccccc1OCC1CC1 ZINC000348918434 1127134821 /nfs/dbraw/zinc/13/48/21/1127134821.db2.gz CKQIHRFPDJVAGF-UHFFFAOYSA-N 0 1 296.414 3.893 20 0 CHADMN COc1ccccc1/C=C\CN(Cc1cccnc1)C1CC1 ZINC000349240761 1127144345 /nfs/dbraw/zinc/14/43/45/1127144345.db2.gz JXFSOZSLMRIGIN-YVMONPNESA-N 0 1 294.398 3.768 20 0 CHADMN CCN(CCOc1cccc(Cl)c1)CCC(F)(F)F ZINC000586768297 1127139433 /nfs/dbraw/zinc/13/94/33/1127139433.db2.gz NBAOVCXJWFWPMT-UHFFFAOYSA-N 0 1 295.732 3.993 20 0 CHADMN COc1nc(Cl)ccc1CN1CCC[C@H](C)[C@@H](C)C1 ZINC001237241207 1131072016 /nfs/dbraw/zinc/07/20/16/1131072016.db2.gz IXAVDCYVZULOLK-RYUDHWBXSA-N 0 1 282.815 3.612 20 0 CHADMN COc1nc(Cl)ccc1CN1CCCCCCC1 ZINC001237245740 1131073787 /nfs/dbraw/zinc/07/37/87/1131073787.db2.gz XVVDPXPTVABVPN-UHFFFAOYSA-N 0 1 268.788 3.510 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccsc1)c1ccc2c(c1)CCC2 ZINC000349317234 1127147590 /nfs/dbraw/zinc/14/75/90/1127147590.db2.gz YOQKJPKQBPQCLM-PXAZEXFGSA-N 0 1 287.428 3.621 20 0 CHADMN OC[C@@H](N[C@H]1CCc2ccc(Cl)cc21)c1ccsc1 ZINC000349341618 1127148295 /nfs/dbraw/zinc/14/82/95/1127148295.db2.gz LFGSXRHQEVSEIQ-LSDHHAIUSA-N 0 1 293.819 3.712 20 0 CHADMN Cc1ccsc1CN(C)Cc1cnc2cc(C)ccn12 ZINC000349521695 1127153154 /nfs/dbraw/zinc/15/31/54/1127153154.db2.gz KZHCGKSVAMNRIK-UHFFFAOYSA-N 0 1 285.416 3.645 20 0 CHADMN CCN(Cc1cccs1)Cc1ccc([S@](C)=O)cc1 ZINC000349563532 1127154695 /nfs/dbraw/zinc/15/46/95/1127154695.db2.gz PBRUJKLUFLOGIB-IBGZPJMESA-N 0 1 293.457 3.508 20 0 CHADMN CN(Cc1ccc(O)cc1)Cc1ccc(F)c(Cl)c1 ZINC000349405473 1127150095 /nfs/dbraw/zinc/15/00/95/1127150095.db2.gz JGVZAEAFDLBREV-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN CCCCC1CCC(c2nc(C3(N)CCC3)no2)CC1 ZINC000570964041 1127150833 /nfs/dbraw/zinc/15/08/33/1127150833.db2.gz DFFPYPVQVSBNRH-UHFFFAOYSA-N 0 1 277.412 3.872 20 0 CHADMN Cc1cc(-c2noc([C@H]3C[C@@H]3C(C)C)n2)cc2nc[nH]c21 ZINC000570968509 1127151090 /nfs/dbraw/zinc/15/10/90/1127151090.db2.gz GAPKTLVZWWMSHH-NEPJUHHUSA-N 0 1 282.347 3.681 20 0 CHADMN Cc1cccc(O[C@H](C)CNCc2ncc(Cl)s2)c1 ZINC000349644604 1127156369 /nfs/dbraw/zinc/15/63/69/1127156369.db2.gz IIHZTDBASHBJMP-LLVKDONJSA-N 0 1 296.823 3.662 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2cc3sccc3s2)n1 ZINC000156491929 1127159121 /nfs/dbraw/zinc/15/91/21/1127159121.db2.gz PNHCSLZQMOKXAC-JTQLQIEISA-N 0 1 279.390 3.669 20 0 CHADMN CC[C@H](N[C@H](C)c1snnc1C)c1ccccc1 ZINC000930187813 1127168044 /nfs/dbraw/zinc/16/80/44/1127168044.db2.gz HFMODYWEINVYAT-MFKMUULPSA-N 0 1 261.394 3.648 20 0 CHADMN Cc1nc2ccccn2c1CN1CCc2sccc2[C@H]1C ZINC000350019073 1127170982 /nfs/dbraw/zinc/17/09/82/1127170982.db2.gz SVXBDPRTMMXBHT-CYBMUJFWSA-N 0 1 297.427 3.824 20 0 CHADMN CC[C@@]1(C)CCCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000284034853 1127170448 /nfs/dbraw/zinc/17/04/48/1127170448.db2.gz PKMSMWFJRFSQJP-KRWDZBQOSA-N 0 1 285.391 3.524 20 0 CHADMN CC(C)C[C@@]1(C)CCCN1Cc1nc(C2CCC2)no1 ZINC001307786753 1127171229 /nfs/dbraw/zinc/17/12/29/1127171229.db2.gz HZRKMYHCBQNDNY-MRXNPFEDSA-N 0 1 277.412 3.738 20 0 CHADMN Cc1cccc2ncc(CN(C)Cc3ccc(Cl)cc3)n21 ZINC000350081951 1127172137 /nfs/dbraw/zinc/17/21/37/1127172137.db2.gz OWZUCRNVNWDCBP-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN C[C@H](NC1(c2ccc(Cl)cc2)CCC1)c1cn[nH]c1 ZINC000284088285 1127172871 /nfs/dbraw/zinc/17/28/71/1127172871.db2.gz NXHDXRCYNADGCR-NSHDSACASA-N 0 1 275.783 3.793 20 0 CHADMN CCN(C(=O)c1cc(C)cc2cn[nH]c21)c1cccc(C)c1 ZINC000588083150 1127173262 /nfs/dbraw/zinc/17/32/62/1127173262.db2.gz GTHRJJVHGILCFT-UHFFFAOYSA-N 0 1 293.370 3.846 20 0 CHADMN COc1c(C)cccc1CN1CCCC[C@](C)(F)C1 ZINC001237499892 1131105959 /nfs/dbraw/zinc/10/59/59/1131105959.db2.gz GPIYHNUDBBEAEQ-INIZCTEOSA-N 0 1 265.372 3.718 20 0 CHADMN Cc1cc([C@H](C)NCC2(c3ccc(F)cc3)CC2)no1 ZINC000284101113 1127173709 /nfs/dbraw/zinc/17/37/09/1127173709.db2.gz MVSNLYXEAJHJSX-LBPRGKRZSA-N 0 1 274.339 3.505 20 0 CHADMN BrC1=CCCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000799737142 1131106998 /nfs/dbraw/zinc/10/69/98/1131106998.db2.gz WBPYVGCALYUNJW-ZFWWWQNUSA-N 0 1 292.220 3.775 20 0 CHADMN FCCCCCN1CCc2[nH]c3ccccc3c2C1 ZINC000284208617 1127178371 /nfs/dbraw/zinc/17/83/71/1127178371.db2.gz SWXVSRFBWAMBDA-UHFFFAOYSA-N 0 1 260.356 3.666 20 0 CHADMN CC1(C)[C@@H](c2ccccc2)CC[N@H+]1CCCCC(=O)[O-] ZINC000571888088 1127179292 /nfs/dbraw/zinc/17/92/92/1127179292.db2.gz HTYBKSFWTNVVRG-OAHLLOKOSA-N 0 1 275.392 3.509 20 0 CHADMN C[C@@H]1CN(Cc2c(Cl)cccc2N2CCCC2)[C@@H]1C ZINC000816646434 1131118061 /nfs/dbraw/zinc/11/80/61/1131118061.db2.gz DEMNQUUAGOPDNP-CHWSQXEVSA-N 0 1 278.827 3.780 20 0 CHADMN C[C@@H]1CN(Cc2ccc(OC(F)F)c(Cl)c2)[C@H]1C ZINC000816648224 1131119693 /nfs/dbraw/zinc/11/96/93/1131119693.db2.gz HASGCEYLTTZFMN-BDAKNGLRSA-N 0 1 275.726 3.782 20 0 CHADMN CC[C@](C)(NC[C@H](OC)c1ccccc1)c1nccs1 ZINC000284486777 1127186564 /nfs/dbraw/zinc/18/65/64/1127186564.db2.gz UDLYKNKQSJVVGK-HOCLYGCPSA-N 0 1 290.432 3.746 20 0 CHADMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1nccs1 ZINC000351205942 1127186617 /nfs/dbraw/zinc/18/66/17/1127186617.db2.gz SOEBPCAOHXTCAS-IINYFYTJSA-N 0 1 296.823 3.662 20 0 CHADMN C[C@@H]1c2cc(F)cc(F)c2CCN1CCc1ccncc1 ZINC000351526168 1127191571 /nfs/dbraw/zinc/19/15/71/1127191571.db2.gz WMSVTNQXPHBGAE-GFCCVEGCSA-N 0 1 288.341 3.522 20 0 CHADMN CC(C)Cn1ccnc1NCc1cnc(C(C)(C)C)s1 ZINC000351562398 1127193615 /nfs/dbraw/zinc/19/36/15/1127193615.db2.gz ASDIGTIXPWQSMF-UHFFFAOYSA-N 0 1 292.452 3.905 20 0 CHADMN COc1cccc(Cl)c1CNc1nccn1CC(C)C ZINC000351570590 1127193914 /nfs/dbraw/zinc/19/39/14/1127193914.db2.gz YNFBYOZFYOETHT-UHFFFAOYSA-N 0 1 293.798 3.813 20 0 CHADMN Clc1ccccc1Cn1ccnc1NCc1cccnc1 ZINC000351569460 1127194297 /nfs/dbraw/zinc/19/42/97/1127194297.db2.gz SPZCQQNVYFGJOB-UHFFFAOYSA-N 0 1 298.777 3.592 20 0 CHADMN C[C@@H](O)CN(Cc1c(F)cccc1Cl)C1CCCCC1 ZINC000588779492 1127194433 /nfs/dbraw/zinc/19/44/33/1127194433.db2.gz JTKCQQNSZCGRPT-GFCCVEGCSA-N 0 1 299.817 3.995 20 0 CHADMN COCCN(Cc1ccc(C(C)C)cc1)Cc1ccccn1 ZINC000351590447 1127195859 /nfs/dbraw/zinc/19/58/59/1127195859.db2.gz URNRESDPYAGSCU-UHFFFAOYSA-N 0 1 298.430 3.854 20 0 CHADMN Cc1ccccc1C1CC(N[C@H](C)c2ccon2)C1 ZINC000351590991 1127196181 /nfs/dbraw/zinc/19/61/81/1127196181.db2.gz AGCDNWYGOWHCKH-IYXRBSQSSA-N 0 1 256.349 3.580 20 0 CHADMN CCc1cnc(CN[C@H]2CCC[C@H]2CCC(C)C)o1 ZINC000572184082 1127196266 /nfs/dbraw/zinc/19/62/66/1127196266.db2.gz XFPVZHNATGOSLZ-ZFWWWQNUSA-N 0 1 264.413 3.932 20 0 CHADMN CC1(C)CN(Cc2ccsc2)Cc2ccccc2O1 ZINC000572324988 1127197314 /nfs/dbraw/zinc/19/73/14/1127197314.db2.gz PJHIYIKAYRHPCC-UHFFFAOYSA-N 0 1 273.401 3.921 20 0 CHADMN Cc1ncsc1CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000351609868 1127198551 /nfs/dbraw/zinc/19/85/51/1127198551.db2.gz NADXQUIQCIVNAE-LLVKDONJSA-N 0 1 294.370 3.719 20 0 CHADMN CC1(C)CCN(Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000588904972 1127204467 /nfs/dbraw/zinc/20/44/67/1127204467.db2.gz XRHPLJDUMVMMIB-UHFFFAOYSA-N 0 1 287.382 3.633 20 0 CHADMN Cc1nc2ccccc2nc1CNCc1cccc(Cl)c1 ZINC000589079101 1127212072 /nfs/dbraw/zinc/21/20/72/1127212072.db2.gz QCDSEZLYFCHIPO-UHFFFAOYSA-N 0 1 297.789 3.881 20 0 CHADMN C[C@H]1c2cc(F)cc(F)c2CCN1CCCCF ZINC000351883247 1127212860 /nfs/dbraw/zinc/21/28/60/1127212860.db2.gz UROPTNUKRHEEMK-JTQLQIEISA-N 0 1 257.299 3.634 20 0 CHADMN CC[C@H](CSC)N(C)Cc1nc2c(s1)CCCC2 ZINC000589206577 1127216255 /nfs/dbraw/zinc/21/62/55/1127216255.db2.gz RIXSIKSYCMCLBS-LLVKDONJSA-N 0 1 284.494 3.595 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2C[C@H](c3ccccc3)C2)no1 ZINC000285082113 1127217266 /nfs/dbraw/zinc/21/72/66/1127217266.db2.gz JQIAUFOSPKYQLP-BPLDGKMQSA-N 0 1 256.349 3.580 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000572601300 1127221500 /nfs/dbraw/zinc/22/15/00/1127221500.db2.gz DIJHEKBUMZVYAP-FOGDFJRCSA-N 0 1 299.773 3.583 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1NCc1ccnn1C ZINC000285348066 1127223244 /nfs/dbraw/zinc/22/32/44/1127223244.db2.gz AQOQHWPLFZCYAT-UHFFFAOYSA-N 0 1 298.434 3.721 20 0 CHADMN CCCOc1cccc(CCN[C@H](C)c2cc(C)on2)c1 ZINC000285358658 1127224289 /nfs/dbraw/zinc/22/42/89/1127224289.db2.gz VMZKADRCBCKPPP-CQSZACIVSA-N 0 1 288.391 3.665 20 0 CHADMN CCCOc1cc(F)ccc1CN1CCC(C)CC1 ZINC001237904384 1131149568 /nfs/dbraw/zinc/14/95/68/1131149568.db2.gz ZRDFQSFQUAXEIS-UHFFFAOYSA-N 0 1 265.372 3.846 20 0 CHADMN CCCOc1cc(F)ccc1CN1C2CCC1CC2 ZINC001237904800 1131150346 /nfs/dbraw/zinc/15/03/46/1131150346.db2.gz KZUYUYKBJARSEI-UHFFFAOYSA-N 0 1 263.356 3.741 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@H](C)c1cn[nH]c1 ZINC000285382123 1127225127 /nfs/dbraw/zinc/22/51/27/1127225127.db2.gz WKVOXNGOBRGXTQ-GHMZBOCLSA-N 0 1 261.394 3.543 20 0 CHADMN CSc1ccccc1CN(C)Cc1cccnc1C ZINC000352358135 1127225969 /nfs/dbraw/zinc/22/59/69/1127225969.db2.gz SBFVRUATRZTYRK-UHFFFAOYSA-N 0 1 272.417 3.744 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H]1C1CC1)c1nc(C(C)(C)C)no1 ZINC000572813861 1127226723 /nfs/dbraw/zinc/22/67/23/1127226723.db2.gz JAEGOVFFUZSWAM-FPMFFAJLSA-N 0 1 291.439 3.987 20 0 CHADMN C[C@H](N[C@H]1CCCC[C@@H]1C1CC1)c1nc(C(C)(C)C)no1 ZINC000572813864 1127227268 /nfs/dbraw/zinc/22/72/68/1127227268.db2.gz JAEGOVFFUZSWAM-YUTCNCBUSA-N 0 1 291.439 3.987 20 0 CHADMN CCCC[C@H](C)N(C)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000352406232 1127229636 /nfs/dbraw/zinc/22/96/36/1127229636.db2.gz CUSTUXFMFZLWAJ-NSHDSACASA-N 0 1 291.395 3.957 20 0 CHADMN C[C@@H](NCc1ccc2cccnc2c1)c1ccco1 ZINC000589636712 1127231554 /nfs/dbraw/zinc/23/15/54/1127231554.db2.gz PCYOVNUXJBCOHM-GFCCVEGCSA-N 0 1 252.317 3.679 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000352433570 1127231785 /nfs/dbraw/zinc/23/17/85/1127231785.db2.gz WICKDBHBQPCSCT-XOKHGSTOSA-N 0 1 289.394 3.920 20 0 CHADMN CCCc1ccc([C@@H](C)NCc2cc(C)n[nH]2)cc1 ZINC000589647167 1127233443 /nfs/dbraw/zinc/23/34/43/1127233443.db2.gz KDOPCAICCMXGNH-CYBMUJFWSA-N 0 1 257.381 3.521 20 0 CHADMN c1c[nH]c([C@@H](NCc2ccccc2)C2CCCCC2)n1 ZINC000285543623 1127236614 /nfs/dbraw/zinc/23/66/14/1127236614.db2.gz GDKOYCAENJRHEK-INIZCTEOSA-N 0 1 269.392 3.821 20 0 CHADMN CCc1cc(-c2ccc(F)c(CN(C)C)c2)ccc1N ZINC000665199431 1127236764 /nfs/dbraw/zinc/23/67/64/1127236764.db2.gz HVLGGSNEAHYMIA-UHFFFAOYSA-N 0 1 272.367 3.699 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000352425155 1127231385 /nfs/dbraw/zinc/23/13/85/1127231385.db2.gz XSXGZUUXCBYSBW-KBRIMQKVSA-N 0 1 289.394 3.920 20 0 CHADMN CSCc1ccc(CN[C@H](C)c2ccco2)cc1 ZINC000285577740 1127238035 /nfs/dbraw/zinc/23/80/35/1127238035.db2.gz GZWSFEBVPNNVBY-GFCCVEGCSA-N 0 1 261.390 3.993 20 0 CHADMN CSC[C@H]1CCCN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC000589881406 1127238450 /nfs/dbraw/zinc/23/84/50/1127238450.db2.gz WBVKUBMSNSCBMD-LBPRGKRZSA-N 0 1 288.416 3.520 20 0 CHADMN CC[C@H](NCc1ccc(CSC)cc1)c1nccn1C ZINC000285718359 1127241292 /nfs/dbraw/zinc/24/12/92/1127241292.db2.gz PYDOZOCLOFETFM-HNNXBMFYSA-N 0 1 289.448 3.524 20 0 CHADMN C[C@H](NCCSc1ccccc1)c1c(F)cncc1F ZINC000285792726 1127243045 /nfs/dbraw/zinc/24/30/45/1127243045.db2.gz UAIWPBLSYMTETO-NSHDSACASA-N 0 1 294.370 3.803 20 0 CHADMN COCc1ccccc1/C=C(\C)CN(C)Cc1ccccn1 ZINC000352880044 1127248297 /nfs/dbraw/zinc/24/82/97/1127248297.db2.gz WVOGCLUESTWPMJ-FOWTUZBSSA-N 0 1 296.414 3.763 20 0 CHADMN CSC[C@@H]1CCCN(Cc2cscc2Cl)C1 ZINC000590053572 1127246720 /nfs/dbraw/zinc/24/67/20/1127246720.db2.gz AYEAIPRDVNFYJN-SNVBAGLBSA-N 0 1 275.870 3.977 20 0 CHADMN CCOC(=O)c1c(Cl)cccc1CN(C)C1CC(C)C1 ZINC001238046857 1131165004 /nfs/dbraw/zinc/16/50/04/1131165004.db2.gz PUUINRSIFIVINZ-UHFFFAOYSA-N 0 1 295.810 3.747 20 0 CHADMN Cn1ccnc1[C@H](NCc1csc2ccccc12)C1CC1 ZINC000353015920 1127257948 /nfs/dbraw/zinc/25/79/48/1127257948.db2.gz HRQKJGASDMDSAY-MRXNPFEDSA-N 0 1 297.427 3.876 20 0 CHADMN CSCc1ccc(CNCc2ccc(C)cn2)cc1 ZINC000353061106 1127259110 /nfs/dbraw/zinc/25/91/10/1127259110.db2.gz DYEIZUQQNLLYFE-UHFFFAOYSA-N 0 1 272.417 3.543 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2cc(C)ccn2)cc1 ZINC000286139011 1127260258 /nfs/dbraw/zinc/26/02/58/1127260258.db2.gz OWIUIFCKXNRHMQ-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN COc1ccc(F)c(CN(C)Cc2cccc3[nH]ccc32)c1 ZINC000353201891 1127264177 /nfs/dbraw/zinc/26/41/77/1127264177.db2.gz OBHXHKYBARLHKN-UHFFFAOYSA-N 0 1 298.361 3.948 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CCCCF)[C@H](C)CO1 ZINC000286332293 1127265415 /nfs/dbraw/zinc/26/54/15/1127265415.db2.gz IFCXTBSACWXQDA-ZBFHGGJFSA-N 0 1 265.372 3.507 20 0 CHADMN FCCCCN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000286476833 1127268094 /nfs/dbraw/zinc/26/80/94/1127268094.db2.gz POHFJAHUVXPFGE-KRWDZBQOSA-N 0 1 272.367 3.643 20 0 CHADMN CC[C@@H](NCc1c(C)cnn1C)c1ccc(Cl)s1 ZINC000286504246 1127268405 /nfs/dbraw/zinc/26/84/05/1127268405.db2.gz MNVYACFTJJGUGQ-SNVBAGLBSA-N 0 1 283.828 3.684 20 0 CHADMN CC(C)(C)c1ccc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])s1 ZINC000166287350 1127271504 /nfs/dbraw/zinc/27/15/04/1127271504.db2.gz UJGWSAVNYGQSMA-ZDUSSCGKSA-N 0 1 295.448 3.875 20 0 CHADMN CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000286698129 1127272192 /nfs/dbraw/zinc/27/21/92/1127272192.db2.gz IWQLHBAJPOCSIS-XLKFXECMSA-N 0 1 285.746 3.805 20 0 CHADMN Cc1cccc(CN(C)Cc2coc3ccccc23)n1 ZINC000353743286 1127273932 /nfs/dbraw/zinc/27/39/32/1127273932.db2.gz CDMDHKPLLLUYPN-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN Cc1ccccc1CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000353718606 1127274009 /nfs/dbraw/zinc/27/40/09/1127274009.db2.gz NKYFSOWUTKXNCK-KRWDZBQOSA-N 0 1 266.388 3.973 20 0 CHADMN CCN(C)[C@@H](C(=O)N[C@@H](C)CCC(C)C)c1ccccc1 ZINC000590806837 1127274089 /nfs/dbraw/zinc/27/40/89/1127274089.db2.gz JXDRVEDFACUVDW-DOTOQJQBSA-N 0 1 290.451 3.620 20 0 CHADMN CC(C)C1CCC(NCc2nccc(C(F)F)n2)CC1 ZINC000286878356 1127275426 /nfs/dbraw/zinc/27/54/26/1127275426.db2.gz CGMSHDOUOLGNAK-UHFFFAOYSA-N 0 1 283.366 3.719 20 0 CHADMN OCC[C@H](NCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000286903282 1127275679 /nfs/dbraw/zinc/27/56/79/1127275679.db2.gz JELKFOFAVIIGJF-INIZCTEOSA-N 0 1 293.769 3.692 20 0 CHADMN OCC[C@@H](NCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000286903284 1127276067 /nfs/dbraw/zinc/27/60/67/1127276067.db2.gz JELKFOFAVIIGJF-MRXNPFEDSA-N 0 1 293.769 3.692 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)c1ccc(F)cc1 ZINC000353895281 1127276415 /nfs/dbraw/zinc/27/64/15/1127276415.db2.gz NTLSQZCYASLAEF-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN Cc1cc(C)n2c(CN3CCC[C@H]4CCCC[C@@H]43)cnc2n1 ZINC000353898455 1127276671 /nfs/dbraw/zinc/27/66/71/1127276671.db2.gz KEERYZGUOSAPBV-WBVHZDCISA-N 0 1 298.434 3.501 20 0 CHADMN CCOC(=O)c1coc(CN[C@H]2CCCc3ccccc32)c1 ZINC000353940958 1127280132 /nfs/dbraw/zinc/28/01/32/1127280132.db2.gz DUJSTDBYFJMSCT-KRWDZBQOSA-N 0 1 299.370 3.624 20 0 CHADMN OCC[C@@H](NCc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000286973128 1127278129 /nfs/dbraw/zinc/27/81/29/1127278129.db2.gz ODRJFGDQHOYZMC-MRXNPFEDSA-N 0 1 293.769 3.692 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cnc3cc(C)ccn23)o1 ZINC000353918609 1127278643 /nfs/dbraw/zinc/27/86/43/1127278643.db2.gz ZGESMIDDRIVDGT-INIZCTEOSA-N 0 1 295.386 3.881 20 0 CHADMN CC[C@H](N[C@@H](c1nccn1C)C1CC1)c1cccc(OC)c1 ZINC000353931018 1127279393 /nfs/dbraw/zinc/27/93/93/1127279393.db2.gz SWJAIMPSZIOZPT-DLBZAZTESA-N 0 1 299.418 3.621 20 0 CHADMN CCC1(CC)[C@H](N[C@H](C)c2c(F)cncc2F)C[C@H]1OC ZINC000353927907 1127279538 /nfs/dbraw/zinc/27/95/38/1127279538.db2.gz WYNUFOYHEVLTFO-LERXQTSPSA-N 0 1 298.377 3.604 20 0 CHADMN CC(C)Oc1ccc(CNCc2ccnn2C(C)C)cc1 ZINC000353946360 1127280906 /nfs/dbraw/zinc/28/09/06/1127280906.db2.gz VDUTWAPXANGUES-UHFFFAOYSA-N 0 1 287.407 3.541 20 0 CHADMN Cc1ccc(F)c(NC(=O)[C@@H](C(C)C)N2CCCCC2)c1 ZINC000591110387 1127287271 /nfs/dbraw/zinc/28/72/71/1127287271.db2.gz ZRCNOKLLIZMYOR-MRXNPFEDSA-N 0 1 292.398 3.583 20 0 CHADMN C[C@H](NCc1nccc(C(F)F)n1)[C@@H](C)c1ccccc1 ZINC000287098296 1127289111 /nfs/dbraw/zinc/28/91/11/1127289111.db2.gz PYAZZBPNRBZRLG-NEPJUHHUSA-N 0 1 291.345 3.696 20 0 CHADMN COCCN(Cc1ccc(C)o1)Cc1ccc(F)cc1C ZINC000354121227 1127295270 /nfs/dbraw/zinc/29/52/70/1127295270.db2.gz RHSKBVIMXXSJOJ-UHFFFAOYSA-N 0 1 291.366 3.684 20 0 CHADMN Fc1ccc([C@@H]2CCCCN2Cc2ccccn2)cc1 ZINC000354088438 1127291598 /nfs/dbraw/zinc/29/15/98/1127291598.db2.gz PNIDNNJNHJRZTP-KRWDZBQOSA-N 0 1 270.351 3.948 20 0 CHADMN CC(C)[C@H]1CC[C@@H]1N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000573167626 1127298335 /nfs/dbraw/zinc/29/83/35/1127298335.db2.gz RHCJCFSAFILGIL-IMJJTQAJSA-N 0 1 299.418 3.746 20 0 CHADMN Cc1nsc(C)c1CN1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000573263154 1127305372 /nfs/dbraw/zinc/30/53/72/1127305372.db2.gz GSUUBEWISLYYGP-MEDUHNTESA-N 0 1 287.432 3.738 20 0 CHADMN C[C@H](c1cnccn1)N1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646117879 1127301921 /nfs/dbraw/zinc/30/19/21/1127301921.db2.gz BFYHVTVACKKDEG-CRAIPNDOSA-N 0 1 291.398 3.931 20 0 CHADMN COc1ccncc1CN[C@H](c1ccccc1)C(C)(C)C ZINC000287593477 1127310267 /nfs/dbraw/zinc/31/02/67/1127310267.db2.gz CWWLYCOJSNHUMB-QGZVFWFLSA-N 0 1 284.403 3.967 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cnccc2OC)cc1 ZINC000287887152 1127314463 /nfs/dbraw/zinc/31/44/63/1127314463.db2.gz TWZSMUIWANZPMU-UHFFFAOYSA-N 0 1 284.403 3.678 20 0 CHADMN CC[C@H]1CCCCN1Cc1ccc(F)c(F)c1OC ZINC001238469122 1131205811 /nfs/dbraw/zinc/20/58/11/1131205811.db2.gz MBYLTUVXVUBZOA-LBPRGKRZSA-N 0 1 269.335 3.738 20 0 CHADMN CC[C@H](C)[C@@H](C)N(C(=O)c1cc(C)cc2c[nH]nc21)C1CC1 ZINC000355184883 1127322958 /nfs/dbraw/zinc/32/29/58/1127322958.db2.gz RBECWSDASOYOCQ-QWHCGFSZSA-N 0 1 299.418 3.911 20 0 CHADMN CC(C)c1nc(CN2CCC[C@@H]([C@H]3CCOC3)C2)cs1 ZINC000355206260 1127325032 /nfs/dbraw/zinc/32/50/32/1127325032.db2.gz LZIUZNYAEQCKNI-KGLIPLIRSA-N 0 1 294.464 3.515 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CC=CC[C@H]3C)c2C)o1 ZINC000288280600 1127327810 /nfs/dbraw/zinc/32/78/10/1127327810.db2.gz SKWJZQAVQWZZCU-ZWNOBZJWSA-N 0 1 299.374 3.827 20 0 CHADMN CCCOc1ccc(CN2CC=CCC2)cc1OCC ZINC000679361239 1127328227 /nfs/dbraw/zinc/32/82/27/1127328227.db2.gz YKBDIEDMXJFSKT-UHFFFAOYSA-N 0 1 275.392 3.636 20 0 CHADMN CC(C)CC[C@H](O)CN[C@@H](c1ccco1)c1ccccc1 ZINC000573795708 1127328469 /nfs/dbraw/zinc/32/84/69/1127328469.db2.gz MOXWYDWHQPFZKY-FUHWJXTLSA-N 0 1 287.403 3.756 20 0 CHADMN Cc1nnsc1CN1CC[C@H](c2ccccc2)C[C@H]1C ZINC000573729390 1127328568 /nfs/dbraw/zinc/32/85/68/1127328568.db2.gz FYYYGNRXJUNQFV-DOMZBBRYSA-N 0 1 287.432 3.615 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000573690609 1127328822 /nfs/dbraw/zinc/32/88/22/1127328822.db2.gz ZPUYSGWSKNALDJ-OAHLLOKOSA-N 0 1 275.392 3.785 20 0 CHADMN CC(C)CO[C@@H]1CCN(Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000355269089 1127329665 /nfs/dbraw/zinc/32/96/65/1127329665.db2.gz GZWOKHMRYMEGQN-LZWOXQAQSA-N 0 1 277.408 3.650 20 0 CHADMN Cc1nn(C)c(C)c1CN1CCc2c(cccc2C(C)C)C1 ZINC000355339151 1127335145 /nfs/dbraw/zinc/33/51/45/1127335145.db2.gz IBIYPPKBBBVAMT-UHFFFAOYSA-N 0 1 297.446 3.719 20 0 CHADMN C[C@]1(F)CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000355357456 1127336017 /nfs/dbraw/zinc/33/60/17/1127336017.db2.gz VAVACWXRHKBKKI-HNNXBMFYSA-N 0 1 293.773 3.664 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC(CC(C)C)CC2)c1 ZINC000760934437 1127337222 /nfs/dbraw/zinc/33/72/22/1127337222.db2.gz AGASVTZYWBDXED-UHFFFAOYSA-N 0 1 299.418 3.770 20 0 CHADMN CC(C)CC1CCN(Cc2cccnc2Cl)CC1 ZINC000760931514 1127337334 /nfs/dbraw/zinc/33/73/34/1127337334.db2.gz CKOKKRLTUWRMKH-UHFFFAOYSA-N 0 1 266.816 3.993 20 0 CHADMN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN[C@H](C)CF ZINC000288417358 1127337365 /nfs/dbraw/zinc/33/73/65/1127337365.db2.gz JLTMWZZBNZGMQG-SNVBAGLBSA-N 0 1 295.789 3.590 20 0 CHADMN CC(C)C1CCC(CNCc2nccc(C(F)F)n2)CC1 ZINC000288406512 1127337458 /nfs/dbraw/zinc/33/74/58/1127337458.db2.gz IJTFUKWKJIWABK-UHFFFAOYSA-N 0 1 297.393 3.966 20 0 CHADMN COC(=O)c1coc(CNC2(c3ccc(C)cc3)CCC2)c1 ZINC000592189477 1127337967 /nfs/dbraw/zinc/33/79/67/1127337967.db2.gz VXYFCALKSBHLRW-UHFFFAOYSA-N 0 1 299.370 3.544 20 0 CHADMN CCN(CCSC)Cc1nc(-c2ccsc2)oc1C ZINC000592202558 1127340800 /nfs/dbraw/zinc/34/08/00/1127340800.db2.gz KZMHILKKWGXMNW-UHFFFAOYSA-N 0 1 296.461 3.896 20 0 CHADMN C[C@H]1CCN(Cc2cnc([C@@H]3CCCO3)s2)CC1(C)C ZINC000355526204 1127347431 /nfs/dbraw/zinc/34/74/31/1127347431.db2.gz GKWJCYCCWMPTAM-JSGCOSHPSA-N 0 1 294.464 3.863 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@H]1NCc1ccc(F)c(F)c1 ZINC000288502519 1127344102 /nfs/dbraw/zinc/34/41/02/1127344102.db2.gz IDYKVFGNAQEQAD-QFYYESIMSA-N 0 1 275.298 3.577 20 0 CHADMN COc1ccc2oc([C@H](C)NCc3cc(C)n[nH]3)c(C)c2c1 ZINC000592458895 1127351268 /nfs/dbraw/zinc/35/12/68/1127351268.db2.gz DHUUBDPTDLLMRU-LBPRGKRZSA-N 0 1 299.374 3.632 20 0 CHADMN COc1ccc2oc([C@H](C)NCc3cc(C)[nH]n3)c(C)c2c1 ZINC000592458895 1127351272 /nfs/dbraw/zinc/35/12/72/1127351272.db2.gz DHUUBDPTDLLMRU-LBPRGKRZSA-N 0 1 299.374 3.632 20 0 CHADMN Cc1ccncc1CN(C)C/C=C/c1ccc(F)cc1F ZINC000355611893 1127354811 /nfs/dbraw/zinc/35/48/11/1127354811.db2.gz SYMNKKHFQIBOFN-ONEGZZNKSA-N 0 1 288.341 3.813 20 0 CHADMN CCCc1ccc(CN(CCO)Cc2ccc(C)o2)cc1 ZINC000355657652 1127356335 /nfs/dbraw/zinc/35/63/35/1127356335.db2.gz KWPHLTOGVYTXBF-UHFFFAOYSA-N 0 1 287.403 3.535 20 0 CHADMN Cc1ccc(CN(CCO)Cc2ccc(C(F)F)cc2)o1 ZINC000355660713 1127357025 /nfs/dbraw/zinc/35/70/25/1127357025.db2.gz OWJNKRRENYCIMP-UHFFFAOYSA-N 0 1 295.329 3.520 20 0 CHADMN c1cc(Oc2ccccc2)oc1CNCCOCC1CC1 ZINC000355667024 1127357099 /nfs/dbraw/zinc/35/70/99/1127357099.db2.gz KMHVDGUGIMMBBI-UHFFFAOYSA-N 0 1 287.359 3.588 20 0 CHADMN Cc1nccc(N[C@@H]2CCOc3c(F)cccc32)c1Cl ZINC000355682982 1127358851 /nfs/dbraw/zinc/35/88/51/1127358851.db2.gz NAJAKVXPUINWTR-GFCCVEGCSA-N 0 1 292.741 3.540 20 0 CHADMN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2noc(-c3ccccc3)n2)C1 ZINC000355778963 1127364274 /nfs/dbraw/zinc/36/42/74/1127364274.db2.gz GAYZGHQNUNOSOT-HZSPNIEDSA-N 0 1 285.391 3.603 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)CC3(C(F)(F)F)CC3)ccc12 ZINC000355708455 1127360007 /nfs/dbraw/zinc/36/00/07/1127360007.db2.gz HOFZMDWTPRPPFU-UHFFFAOYSA-N 0 1 297.280 3.542 20 0 CHADMN CCSCCNCc1csc(-c2ccccc2)n1 ZINC000355741300 1127362304 /nfs/dbraw/zinc/36/23/04/1127362304.db2.gz VBTCIQZCOCFBJM-UHFFFAOYSA-N 0 1 278.446 3.653 20 0 CHADMN COc1ccnc(CN(C)Cc2cccc3ccccc32)c1 ZINC000592806893 1127362374 /nfs/dbraw/zinc/36/23/74/1127362374.db2.gz QJQQBOMLFSQGLF-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN COc1cncc(CN[C@H](C)c2ccc(SC)cc2)c1 ZINC000288780007 1127362487 /nfs/dbraw/zinc/36/24/87/1127362487.db2.gz BQMPFDFSPCAHPY-GFCCVEGCSA-N 0 1 288.416 3.663 20 0 CHADMN CCN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)CC(C)C ZINC000355756244 1127362678 /nfs/dbraw/zinc/36/26/78/1127362678.db2.gz HXAQXMDGLXCVAR-ZDUSSCGKSA-N 0 1 287.407 3.592 20 0 CHADMN CN(Cc1ccccc1Oc1ccccc1)[C@H]1CCOC1 ZINC000592895312 1127362965 /nfs/dbraw/zinc/36/29/65/1127362965.db2.gz TVVCMIMTEZMXGF-INIZCTEOSA-N 0 1 283.371 3.700 20 0 CHADMN CCC[C@]1(CO)CCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000288990975 1127369540 /nfs/dbraw/zinc/36/95/40/1127369540.db2.gz ZXMWPICOJWJSTK-LRDDRELGSA-N 0 1 283.362 3.510 20 0 CHADMN CCCN(Cc1nc(-c2ccc(F)c(F)c2)no1)C(C)C ZINC000574170465 1127372311 /nfs/dbraw/zinc/37/23/11/1127372311.db2.gz QIGWIJRGBMZTFS-UHFFFAOYSA-N 0 1 295.333 3.635 20 0 CHADMN COC[C@H](CC(C)C)N[C@@H](C)c1c(F)cccc1F ZINC000480907353 1127385193 /nfs/dbraw/zinc/38/51/93/1127385193.db2.gz ZWWNMATWACXCCS-RYUDHWBXSA-N 0 1 271.351 3.677 20 0 CHADMN CCCc1nc(CN(C)[C@H](C)C2CCC2)cs1 ZINC000357014467 1127385462 /nfs/dbraw/zinc/38/54/62/1127385462.db2.gz WYPVGFHLPBEVBW-LLVKDONJSA-N 0 1 252.427 3.716 20 0 CHADMN CCn1cc(CN2CCC[C@H]2/C=C\c2ccccc2)cn1 ZINC000357016172 1127385556 /nfs/dbraw/zinc/38/55/56/1127385556.db2.gz ZCXGLMYAEVILPH-LENZSSGSSA-N 0 1 281.403 3.581 20 0 CHADMN Cc1cnc(CN(CC2CCCCC2)C2CC2)s1 ZINC000357297185 1127389325 /nfs/dbraw/zinc/38/93/25/1127389325.db2.gz APCYEHQBHGJECB-UHFFFAOYSA-N 0 1 264.438 3.996 20 0 CHADMN CC/C=C/CCN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000466829992 1127391370 /nfs/dbraw/zinc/39/13/70/1127391370.db2.gz BDWFHKOFYQCNEY-PQAMPZAHSA-N 0 1 259.393 3.805 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](C)c2ccc(F)c(Cl)c2)n[nH]1 ZINC000358235500 1127409444 /nfs/dbraw/zinc/40/94/44/1127409444.db2.gz IOURILSGQSWBIX-IUCAKERBSA-N 0 1 296.777 3.571 20 0 CHADMN CCCCCn1cc(CN[C@H](C)c2cncs2)c(C)n1 ZINC000358239858 1127410001 /nfs/dbraw/zinc/41/00/01/1127410001.db2.gz PHUSNJGOBDCYLB-CYBMUJFWSA-N 0 1 292.452 3.689 20 0 CHADMN CC[C@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1ccc(F)cc1 ZINC000358271484 1127411962 /nfs/dbraw/zinc/41/19/62/1127411962.db2.gz YMSLASBSXNBQME-FZMZJTMJSA-N 0 1 290.386 3.869 20 0 CHADMN CC(C)(C)c1nnc(CN[C@@H]2CCCC2(C)C)s1 ZINC000358282161 1127413043 /nfs/dbraw/zinc/41/30/43/1127413043.db2.gz BJTKBWUGCISZTR-SNVBAGLBSA-N 0 1 267.442 3.504 20 0 CHADMN CSCCC[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000157986805 1127413450 /nfs/dbraw/zinc/41/34/50/1127413450.db2.gz FVMJOPDFKBCVOR-YCPHGPKFSA-N 0 1 279.449 3.590 20 0 CHADMN CSCCCN1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000157986805 1127413452 /nfs/dbraw/zinc/41/34/52/1127413452.db2.gz FVMJOPDFKBCVOR-YCPHGPKFSA-N 0 1 279.449 3.590 20 0 CHADMN Fc1cc2cccnc2c(CN2CC[C@H](C(F)(F)F)C2)c1 ZINC000761057419 1127414623 /nfs/dbraw/zinc/41/46/23/1127414623.db2.gz QVDCIIZONDENCC-LBPRGKRZSA-N 0 1 298.283 3.758 20 0 CHADMN CCc1ccc(C[NH2+]Cc2ccc([O-])c(Cl)c2)s1 ZINC000226646142 1127415494 /nfs/dbraw/zinc/41/54/94/1127415494.db2.gz VYXPIFGCMYFNKU-UHFFFAOYSA-N 0 1 281.808 3.959 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1ccnc(OC2CCC2)c1 ZINC000358354002 1127416886 /nfs/dbraw/zinc/41/68/86/1127416886.db2.gz LJEJZTAIJDYVPB-CQSZACIVSA-N 0 1 297.402 3.567 20 0 CHADMN CCSc1ccccc1[C@@H](C)N[C@H](C)c1cn[nH]c1 ZINC000358364626 1127417860 /nfs/dbraw/zinc/41/78/60/1127417860.db2.gz GIRYTIZVAZPQGM-VXGBXAGGSA-N 0 1 275.421 3.934 20 0 CHADMN COC(=O)c1cc(CN[C@H]2CCCc3ccccc32)c(C)o1 ZINC000594601004 1127422863 /nfs/dbraw/zinc/42/28/63/1127422863.db2.gz PUYMWXCQQTUSCU-INIZCTEOSA-N 0 1 299.370 3.542 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](CO)c2sccc2C)o1 ZINC000358400134 1127419361 /nfs/dbraw/zinc/41/93/61/1127419361.db2.gz LFFNQWOJMZDFGH-YPMHNXCESA-N 0 1 279.405 3.596 20 0 CHADMN Cc1nnc(CN2CCC[C@H]2CC2CCCCC2)s1 ZINC000358503643 1127424359 /nfs/dbraw/zinc/42/43/59/1127424359.db2.gz ZXDODZVJTRXILT-AWEZNQCLSA-N 0 1 279.453 3.781 20 0 CHADMN CCc1nc(CSCc2ccc(SC)cc2)n[nH]1 ZINC000358545065 1127425899 /nfs/dbraw/zinc/42/58/99/1127425899.db2.gz LJXXKAGFJMVYDN-UHFFFAOYSA-N 0 1 279.434 3.522 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H]2CCc3cccnc32)cc1F ZINC000226810127 1127426622 /nfs/dbraw/zinc/42/66/22/1127426622.db2.gz MKLGTQKIXRTIRU-IAQYHMDHSA-N 0 1 286.350 3.567 20 0 CHADMN CC(C)c1ccc(CN[C@H]2CCc3cccnc32)cc1 ZINC000226818077 1127427006 /nfs/dbraw/zinc/42/70/06/1127427006.db2.gz OLNHCOVDAVSKNR-KRWDZBQOSA-N 0 1 266.388 3.982 20 0 CHADMN C[C@H](c1ccc(Cl)c(Cl)c1)N1CCN(C)[C@H](C)C1 ZINC000761081475 1127434453 /nfs/dbraw/zinc/43/44/53/1127434453.db2.gz XBZVVGVZGJEORL-GHMZBOCLSA-N 0 1 287.234 3.690 20 0 CHADMN Cc1csc(C2(N[C@@H](C)CSCCF)CCC2)n1 ZINC000595022067 1127442344 /nfs/dbraw/zinc/44/23/44/1127442344.db2.gz HNUILVYEHXWSBV-NSHDSACASA-N 0 1 288.457 3.512 20 0 CHADMN Cn1c(CNCc2cccs2)nc2cccc(Cl)c21 ZINC000359000969 1127443702 /nfs/dbraw/zinc/44/37/02/1127443702.db2.gz ZEHQUFZGDPOBAF-UHFFFAOYSA-N 0 1 291.807 3.578 20 0 CHADMN CC(C)c1nc([C@@H](C)NCC2(C(F)F)CC2)cs1 ZINC000359007318 1127444467 /nfs/dbraw/zinc/44/44/67/1127444467.db2.gz ZQFNKQGXERZFLP-SECBINFHSA-N 0 1 274.380 3.962 20 0 CHADMN C[C@@H]1CC[C@@H](CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000359068724 1127447796 /nfs/dbraw/zinc/44/77/96/1127447796.db2.gz MJUBCAKMJZLOCB-IOASZLSFSA-N 0 1 287.382 3.664 20 0 CHADMN COC(=O)c1ccc(CN([C@H](C)c2ccccc2)C2CC2)[nH]1 ZINC000359270469 1127455930 /nfs/dbraw/zinc/45/59/30/1127455930.db2.gz XDTVWLUHMCRUHO-CYBMUJFWSA-N 0 1 298.386 3.527 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1ccco1)[C@H]2C ZINC000359293061 1127456922 /nfs/dbraw/zinc/45/69/22/1127456922.db2.gz NDCUJJLQTWWMIT-OLZOCXBDSA-N 0 1 271.360 3.796 20 0 CHADMN COc1cc2c(cc1F)nccc2N(C)Cc1ccco1 ZINC000359364031 1127460276 /nfs/dbraw/zinc/46/02/76/1127460276.db2.gz NLEBLSIGUBIVTF-UHFFFAOYSA-N 0 1 286.306 3.612 20 0 CHADMN CSCCCN(C)Cc1cc(F)ccc1OC(F)F ZINC000595468608 1127463563 /nfs/dbraw/zinc/46/35/63/1127463563.db2.gz ABLCKHSPCXJVNP-UHFFFAOYSA-N 0 1 293.354 3.612 20 0 CHADMN CCCn1nc(C)c(CNc2cc3c(cn2)CCCC3)c1C ZINC000359469791 1127464425 /nfs/dbraw/zinc/46/44/25/1127464425.db2.gz HHYRROQSWDHFQD-UHFFFAOYSA-N 0 1 298.434 3.796 20 0 CHADMN Cc1nn(C(C)C)cc1CNc1cc2c(cn1)CCCC2 ZINC000359467357 1127464597 /nfs/dbraw/zinc/46/45/97/1127464597.db2.gz ADIZFOFAXIDUGN-UHFFFAOYSA-N 0 1 284.407 3.658 20 0 CHADMN Cc1cc(C2CC[NH+](Cc3cccc(Cl)c3)CC2)n[nH]1 ZINC000359515824 1127465833 /nfs/dbraw/zinc/46/58/33/1127465833.db2.gz OSRTWZCXSZBGLK-UHFFFAOYSA-N 0 1 289.810 3.751 20 0 CHADMN CC(C)(C)c1nnc(CN2CCC[C@@H]2Cc2ccccc2)o1 ZINC000046855785 1127467994 /nfs/dbraw/zinc/46/79/94/1127467994.db2.gz CJHZONFYZLAIJW-OAHLLOKOSA-N 0 1 299.418 3.574 20 0 CHADMN Fc1ccccc1CCNCc1occc1Br ZINC000227364132 1127473093 /nfs/dbraw/zinc/47/30/93/1127473093.db2.gz BSNZKEMQFAVFBR-UHFFFAOYSA-N 0 1 298.155 3.514 20 0 CHADMN CC(C)CC[C@H](C)NCc1occc1Br ZINC000227363163 1127473257 /nfs/dbraw/zinc/47/32/57/1127473257.db2.gz QNWRXYVEXNLIPV-JTQLQIEISA-N 0 1 274.202 3.956 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1cc2c(c(Cl)c1)OCO2 ZINC000595716725 1127474312 /nfs/dbraw/zinc/47/43/12/1127474312.db2.gz YRYUBQQYCNAPDP-QWRGUYRKSA-N 0 1 281.783 3.832 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC(CCCO)CC1 ZINC000360089028 1127489914 /nfs/dbraw/zinc/48/99/14/1127489914.db2.gz PBDIHEOSLDGUOP-LBPRGKRZSA-N 0 1 283.362 3.510 20 0 CHADMN CC[C@H](NCc1ccc(-c2ccccc2)o1)c1cnn(C)c1 ZINC000360142619 1127490359 /nfs/dbraw/zinc/49/03/59/1127490359.db2.gz YHNDOCUGUIRUTG-KRWDZBQOSA-N 0 1 295.386 3.921 20 0 CHADMN Cc1ccc(CN(Cc2cccnc2)C(C)C)c(C)n1 ZINC000360139121 1127490516 /nfs/dbraw/zinc/49/05/16/1127490516.db2.gz JGWPHXQZYARZJX-UHFFFAOYSA-N 0 1 269.392 3.504 20 0 CHADMN C[C@H](N[C@@H](c1cnn(C)c1)c1ccccc1)c1ccccc1 ZINC000360365081 1127497383 /nfs/dbraw/zinc/49/73/83/1127497383.db2.gz GBQGULRAGVIQQC-HNAYVOBHSA-N 0 1 291.398 3.860 20 0 CHADMN CO[C@H](CNCc1c(Cl)ccnc1Cl)CC(C)C ZINC001308824306 1127498319 /nfs/dbraw/zinc/49/83/19/1127498319.db2.gz RBEQKQMCMVVRQW-JTQLQIEISA-N 0 1 291.222 3.539 20 0 CHADMN CN(CCC(C)(C)O)Cc1cccc(Cl)c1Cl ZINC000360442891 1127498677 /nfs/dbraw/zinc/49/86/77/1127498677.db2.gz DQBYEFWLVWNLFE-UHFFFAOYSA-N 0 1 276.207 3.586 20 0 CHADMN Cc1scc(C(=O)Nc2cc3cn[nH]c3cc2C)c1C ZINC000360416591 1127499083 /nfs/dbraw/zinc/49/90/83/1127499083.db2.gz JXICJEFJBWEEJG-UHFFFAOYSA-N 0 1 285.372 3.802 20 0 CHADMN CCCN(Cc1ccccn1)[C@H]1CCCc2cccnc21 ZINC000360484008 1127500143 /nfs/dbraw/zinc/50/01/43/1127500143.db2.gz PFKGLEWVVXIGMI-KRWDZBQOSA-N 0 1 281.403 3.766 20 0 CHADMN CCCN(Cc1c(C)noc1C)[C@@H]1CCCc2cccnc21 ZINC000360499044 1127500868 /nfs/dbraw/zinc/50/08/68/1127500868.db2.gz FEVOXFNFBBQVMR-QGZVFWFLSA-N 0 1 299.418 3.976 20 0 CHADMN CC(C)c1nnc(C[N@H+]2CC[C@H](C)C3(CCCCC3)C2)o1 ZINC000360610264 1127502573 /nfs/dbraw/zinc/50/25/73/1127502573.db2.gz ITYYYFIABVUTBH-AWEZNQCLSA-N 0 1 291.439 3.985 20 0 CHADMN CC(C)c1nnc(CN2CC[C@H](C)C3(CCCCC3)C2)o1 ZINC000360610264 1127502574 /nfs/dbraw/zinc/50/25/74/1127502574.db2.gz ITYYYFIABVUTBH-AWEZNQCLSA-N 0 1 291.439 3.985 20 0 CHADMN CC[C@H](NCc1cnccc1OC)c1cccc(C)c1 ZINC000293561277 1127505608 /nfs/dbraw/zinc/50/56/08/1127505608.db2.gz ADPSKZDZCMNWPT-INIZCTEOSA-N 0 1 270.376 3.640 20 0 CHADMN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc2c[nH]nc21 ZINC000360691861 1127506269 /nfs/dbraw/zinc/50/62/69/1127506269.db2.gz XXOWJBBBTWNCLL-TZMCWYRMSA-N 0 1 299.418 3.850 20 0 CHADMN Cn1cccc1CN[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000360792282 1127512024 /nfs/dbraw/zinc/51/20/24/1127512024.db2.gz KQLDETLQIADHSH-OAHLLOKOSA-N 0 1 290.794 3.682 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2C[C@H](c3ccc(F)cc3)C2)no1 ZINC000293698928 1127513787 /nfs/dbraw/zinc/51/37/87/1127513787.db2.gz LVPPAOSYADQXQK-WHOFXGATSA-N 0 1 274.339 3.719 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(C(C)(F)F)cc1 ZINC000293746445 1127517273 /nfs/dbraw/zinc/51/72/73/1127517273.db2.gz PWRACFRKRIHUFE-LLVKDONJSA-N 0 1 293.361 3.691 20 0 CHADMN O=C(Nc1cccc(C2CCC2)c1)[C@@H]1CCCN1C1CC1 ZINC000360890400 1127518143 /nfs/dbraw/zinc/51/81/43/1127518143.db2.gz XWILRRFGIZCOCN-KRWDZBQOSA-N 0 1 284.403 3.519 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000360959651 1127524067 /nfs/dbraw/zinc/52/40/67/1127524067.db2.gz VEXDOTPVQNXTQY-FPXQBCRKSA-N 0 1 285.497 3.600 20 0 CHADMN CCN(Cc1cnc(C2CCCC2)s1)C[C@H](C)OC ZINC000361017333 1127529815 /nfs/dbraw/zinc/52/98/15/1127529815.db2.gz MIKZSMAYBOLDRR-LBPRGKRZSA-N 0 1 282.453 3.658 20 0 CHADMN C[C@H](N[C@@H]1CCCc2sc(Cl)cc21)c1ccnn1C ZINC000293885947 1127530130 /nfs/dbraw/zinc/53/01/30/1127530130.db2.gz YXUZAZOEKZAUGL-GXSJLCMTSA-N 0 1 295.839 3.863 20 0 CHADMN Cc1cc(CN(C)Cc2ccsc2)cc(C)c1O ZINC000601432880 1127525814 /nfs/dbraw/zinc/52/58/14/1127525814.db2.gz PJUDJXONJFTKEB-UHFFFAOYSA-N 0 1 261.390 3.703 20 0 CHADMN Cc1ccnc(N[C@@H](C)CSCCF)c1C1CC1 ZINC000597193062 1127531520 /nfs/dbraw/zinc/53/15/20/1127531520.db2.gz UKMLXQBNDNAFGW-NSHDSACASA-N 0 1 268.401 3.771 20 0 CHADMN Cc1nn(C)c(C)c1CN1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000293914535 1127533190 /nfs/dbraw/zinc/53/31/90/1127533190.db2.gz MAXXORUDUHQFPN-SFHVURJKSA-N 0 1 295.430 3.764 20 0 CHADMN Cc1nc([C@H](C)NCCc2c(F)cccc2F)cs1 ZINC000361113591 1127539225 /nfs/dbraw/zinc/53/92/25/1127539225.db2.gz ZRWDICWQQMZIGB-VIFPVBQESA-N 0 1 282.359 3.623 20 0 CHADMN CC[C@@H](NCc1cn2ccc(C)cc2n1)c1ccccc1 ZINC000361143911 1127541385 /nfs/dbraw/zinc/54/13/85/1127541385.db2.gz YBYHCQONQWZNGX-QGZVFWFLSA-N 0 1 279.387 3.884 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](C(F)(F)F)[C@H]2C)o1 ZINC000361139907 1127541532 /nfs/dbraw/zinc/54/15/32/1127541532.db2.gz INTOCMDIJAFNNO-ZYHUDNBSSA-N 0 1 261.287 3.751 20 0 CHADMN CCc1ncc(CN2CCC[C@H](C(F)(F)F)[C@H]2C)s1 ZINC000361142367 1127541799 /nfs/dbraw/zinc/54/17/99/1127541799.db2.gz PVTCRXZTDKNPAK-KOLCDFICSA-N 0 1 292.370 3.868 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000228231209 1127542478 /nfs/dbraw/zinc/54/24/78/1127542478.db2.gz VQHAFKHDVFDRLZ-BBBLOLIVSA-N 0 1 291.317 3.562 20 0 CHADMN C=Cn1cc(CN(C)[C@@H]2CCCC[C@@H]2C(F)(F)F)cn1 ZINC000361236017 1127549225 /nfs/dbraw/zinc/54/92/25/1127549225.db2.gz HDTKDDMWPAFVFG-QWHCGFSZSA-N 0 1 287.329 3.537 20 0 CHADMN Cc1noc(C)c1CN1CCC(F)(c2ccccc2)CC1 ZINC000361327188 1127557296 /nfs/dbraw/zinc/55/72/96/1127557296.db2.gz UDDLYUJNIDAIHK-UHFFFAOYSA-N 0 1 288.366 3.752 20 0 CHADMN COc1cc(Cl)ccc1CN1CCS[C@@H](C)CC1 ZINC000361336091 1127557649 /nfs/dbraw/zinc/55/76/49/1127557649.db2.gz MDNWSBXOPBRMIO-NSHDSACASA-N 0 1 285.840 3.676 20 0 CHADMN Cc1ccncc1CN(C)[C@H]1CCc2ccc(F)cc21 ZINC000361423699 1127562102 /nfs/dbraw/zinc/56/21/02/1127562102.db2.gz DACVFGDCEHQJLK-KRWDZBQOSA-N 0 1 270.351 3.648 20 0 CHADMN COc1cccc(Cl)c1CN1CCSCC[C@@H]1C ZINC000361641977 1127577860 /nfs/dbraw/zinc/57/78/60/1127577860.db2.gz FPCLZCAKHDAEAT-NSHDSACASA-N 0 1 285.840 3.676 20 0 CHADMN C[C@@H]1CCSCCN1Cc1cccc(Cl)c1F ZINC000361642105 1127578220 /nfs/dbraw/zinc/57/82/20/1127578220.db2.gz HCYBDXLPTSGHFZ-SNVBAGLBSA-N 0 1 273.804 3.807 20 0 CHADMN Cc1cc(CN2CCC(C(F)(F)F)CC2)cs1 ZINC000294501669 1127579284 /nfs/dbraw/zinc/57/92/84/1127579284.db2.gz BCCIJCSYOSILOW-UHFFFAOYSA-N 0 1 263.328 3.831 20 0 CHADMN CCc1nc(CN(CCOC)C[C@H]2CC=CCC2)cs1 ZINC000361674089 1127581227 /nfs/dbraw/zinc/58/12/27/1127581227.db2.gz CEVJPHCKZIIHQV-AWEZNQCLSA-N 0 1 294.464 3.510 20 0 CHADMN O=C(CC1CCC1)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000361690847 1127581670 /nfs/dbraw/zinc/58/16/70/1127581670.db2.gz MFGCDLHJMZHOJA-UHFFFAOYSA-N 0 1 283.375 3.959 20 0 CHADMN CCc1cnc(CN(CCOC)C[C@@H]2CC=CCC2)s1 ZINC000361686562 1127581746 /nfs/dbraw/zinc/58/17/46/1127581746.db2.gz KQLCMWPDOBYNRO-CQSZACIVSA-N 0 1 294.464 3.510 20 0 CHADMN COc1ccc(Cl)c(CN(C(C)C)C2CC2)c1 ZINC000361701522 1127582671 /nfs/dbraw/zinc/58/26/71/1127582671.db2.gz IAHSUFLMWPKEEN-UHFFFAOYSA-N 0 1 253.773 3.721 20 0 CHADMN C[C@H]1C[C@H](CN(Cc2c(F)cccc2F)C2CC2)CCO1 ZINC000361735753 1127585233 /nfs/dbraw/zinc/58/52/33/1127585233.db2.gz UFEAOWVCIDNGCW-QWHCGFSZSA-N 0 1 295.373 3.744 20 0 CHADMN c1ccc(C2CC2)c(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000646295989 1127592942 /nfs/dbraw/zinc/59/29/42/1127592942.db2.gz HJEDEVDOPFJPAI-RBUKOAKNSA-N 0 1 283.415 3.707 20 0 CHADMN Clc1ccc2c(c1)CCN(CCCc1ccncc1)C2 ZINC000361850527 1127594027 /nfs/dbraw/zinc/59/40/27/1127594027.db2.gz RENKNAPRPRGCAS-UHFFFAOYSA-N 0 1 286.806 3.726 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnn(CC)c1)c1ccccc1F ZINC000294744485 1127595545 /nfs/dbraw/zinc/59/55/45/1127595545.db2.gz CPHARCMLTXWHEO-LRDDRELGSA-N 0 1 275.371 3.844 20 0 CHADMN COc1ccsc1CN1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000294732046 1127595838 /nfs/dbraw/zinc/59/58/38/1127595838.db2.gz DIKJEKOFXLZAEM-VHSXEESVSA-N 0 1 293.354 3.920 20 0 CHADMN CC[C@H](C)[C@@H](CNCc1ccnc(Cl)c1Cl)OC ZINC000294757665 1127597151 /nfs/dbraw/zinc/59/71/51/1127597151.db2.gz ITILOLNZWRQKGW-GXSJLCMTSA-N 0 1 291.222 3.539 20 0 CHADMN CCc1oc2ccccc2c1CNCc1n[nH]c(C(C)C)n1 ZINC000294807137 1127600970 /nfs/dbraw/zinc/60/09/70/1127600970.db2.gz NLGPIJPYROAFOH-UHFFFAOYSA-N 0 1 298.390 3.527 20 0 CHADMN CC1(C)OCC[C@@H]1NCc1csc(-c2ccsc2)n1 ZINC000294777475 1127598562 /nfs/dbraw/zinc/59/85/62/1127598562.db2.gz KURPSJILVDGCSA-LBPRGKRZSA-N 0 1 294.445 3.529 20 0 CHADMN Clc1cccc(C2(NCc3cnns3)CCCC2)c1 ZINC000294890013 1127605919 /nfs/dbraw/zinc/60/59/19/1127605919.db2.gz CVARAJYVGDKRBY-UHFFFAOYSA-N 0 1 293.823 3.751 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1cccc(C(F)(F)F)n1 ZINC001232071364 1127603473 /nfs/dbraw/zinc/60/34/73/1127603473.db2.gz FRDGAIWTTOGDBT-WDEREUQCSA-N 0 1 272.314 3.721 20 0 CHADMN CCC[C@H](CN1CCC[C@@H]1c1ncon1)c1ccccc1 ZINC000362041827 1127607947 /nfs/dbraw/zinc/60/79/47/1127607947.db2.gz AOLRJVIKVXBTRB-HZPDHXFCSA-N 0 1 285.391 3.790 20 0 CHADMN Fc1cc(CN[C@H](c2ccccc2)C2CCC2)c(F)cn1 ZINC000294927447 1127609235 /nfs/dbraw/zinc/60/92/35/1127609235.db2.gz DBMJEWPJITVFAK-QGZVFWFLSA-N 0 1 288.341 3.991 20 0 CHADMN COc1cc(CCN[C@@H](C)c2cscn2)ccc1Cl ZINC000294996482 1127612685 /nfs/dbraw/zinc/61/26/85/1127612685.db2.gz LRZPOZDDGROMPG-JTQLQIEISA-N 0 1 296.823 3.698 20 0 CHADMN COCCN(Cc1nc(C)c(C)s1)C[C@@H]1CC=CCC1 ZINC000362243577 1127621782 /nfs/dbraw/zinc/62/17/82/1127621782.db2.gz BDDQFJUNKXAWBW-OAHLLOKOSA-N 0 1 294.464 3.565 20 0 CHADMN CN(Cc1nc(-c2ccccc2)c[nH]1)C[C@@H]1CC=CCC1 ZINC000362314308 1127627006 /nfs/dbraw/zinc/62/70/06/1127627006.db2.gz YMYUOAHKDFAXSN-OAHLLOKOSA-N 0 1 281.403 3.865 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2N[C@H]1C[C@@H](C)n2ccnc21 ZINC000295259367 1127630625 /nfs/dbraw/zinc/63/06/25/1127630625.db2.gz RBPBHRICIZJBEP-DQYPLSBCSA-N 0 1 297.402 3.565 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2N[C@H]1C[C@H](C)n2ccnc21 ZINC000295259373 1127630885 /nfs/dbraw/zinc/63/08/85/1127630885.db2.gz RBPBHRICIZJBEP-ZLIFDBKOSA-N 0 1 297.402 3.565 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000362436442 1127635816 /nfs/dbraw/zinc/63/58/16/1127635816.db2.gz GMOAUUBBCLCQMS-KBPBESRZSA-N 0 1 287.382 3.632 20 0 CHADMN Cc1nocc1CN1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000295396435 1127640700 /nfs/dbraw/zinc/64/07/00/1127640700.db2.gz QIMBBKIEPMGHII-BZNIZROVSA-N 0 1 274.339 3.705 20 0 CHADMN O[C@@H](CNCc1c(Cl)oc2ccccc21)c1ccco1 ZINC000761291226 1127642210 /nfs/dbraw/zinc/64/22/10/1127642210.db2.gz CRHSATOTWLQYRB-LBPRGKRZSA-N 0 1 291.734 3.502 20 0 CHADMN CC(=O)c1ccc(CN2CCC(OCC(C)C)CC2)cc1 ZINC000295451819 1127643060 /nfs/dbraw/zinc/64/30/60/1127643060.db2.gz HGAKIHXLENRVBO-UHFFFAOYSA-N 0 1 289.419 3.526 20 0 CHADMN COc1cccc(CNCCO[C@H]2CCCC[C@H]2C)c1F ZINC000669679888 1127645832 /nfs/dbraw/zinc/64/58/32/1127645832.db2.gz QDOOFGADOHQMKB-HIFRSBDPSA-N 0 1 295.398 3.519 20 0 CHADMN COCC[C@H](NCc1csc(C)c1)c1ccc(C)o1 ZINC000295545992 1127646409 /nfs/dbraw/zinc/64/64/09/1127646409.db2.gz XWENHPMTSUXGGJ-AWEZNQCLSA-N 0 1 279.405 3.825 20 0 CHADMN Cc1cccc(Cl)c1CSc1nc(C2CC2)n[nH]1 ZINC000295670019 1127649924 /nfs/dbraw/zinc/64/99/24/1127649924.db2.gz FVQHTFVJJWTCLT-UHFFFAOYSA-N 0 1 279.796 3.936 20 0 CHADMN Cc1cccc(Cl)c1CSc1n[nH]c(C2CC2)n1 ZINC000295670019 1127649926 /nfs/dbraw/zinc/64/99/26/1127649926.db2.gz FVQHTFVJJWTCLT-UHFFFAOYSA-N 0 1 279.796 3.936 20 0 CHADMN COc1cccc(CN[C@H]2c3ccccc3C[C@@H]2C)c1F ZINC000669682023 1127650963 /nfs/dbraw/zinc/65/09/63/1127650963.db2.gz LOJWNVIVTLHYIK-KPZWWZAWSA-N 0 1 285.362 3.857 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(Cl)nc2)cs1 ZINC000295920687 1127657100 /nfs/dbraw/zinc/65/71/00/1127657100.db2.gz JTHPNGPNQACLEC-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1cc(CN[C@@H]2c3ccccc3O[C@@H]2C)cs1 ZINC000296009554 1127660598 /nfs/dbraw/zinc/66/05/98/1127660598.db2.gz LOMPUUSUIITBBY-ABAIWWIYSA-N 0 1 259.374 3.668 20 0 CHADMN CS[C@H]1CCN(Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000296055697 1127662130 /nfs/dbraw/zinc/66/21/30/1127662130.db2.gz BFQSJXUBTAZFJG-AWEZNQCLSA-N 0 1 288.416 3.587 20 0 CHADMN Cc1cccc(C)c1OC[C@H](C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000296158492 1127664457 /nfs/dbraw/zinc/66/44/57/1127664457.db2.gz XDCBFGIENHJLQU-XHSDSOJGSA-N 0 1 299.418 3.563 20 0 CHADMN COc1ccc(OC)c(CN[C@H](C)c2csc(C)c2)c1 ZINC000296167448 1127664656 /nfs/dbraw/zinc/66/46/56/1127664656.db2.gz XLYHIJOJRLFCHF-GFCCVEGCSA-N 0 1 291.416 3.925 20 0 CHADMN C[C@H](NC/C=C/C1CC1)c1cc(-c2ccccc2)n(C)n1 ZINC001118863076 1131240056 /nfs/dbraw/zinc/24/00/56/1131240056.db2.gz GRYBKELGUDOZKH-UZYOAWRESA-N 0 1 281.403 3.704 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccc(F)cc1Cl)[C@@H](O)C(F)F ZINC000296325556 1127668833 /nfs/dbraw/zinc/66/88/33/1127668833.db2.gz GZOJUCKYYYBTKQ-CQFDHEJISA-N 0 1 295.732 3.534 20 0 CHADMN CSC[C@H]1CCCN(Cc2cc(O)ccc2Cl)C1 ZINC000599426580 1127671223 /nfs/dbraw/zinc/67/12/23/1127671223.db2.gz JABAAXYITOQAAA-NSHDSACASA-N 0 1 285.840 3.621 20 0 CHADMN CCC[C@@H](C)CCCN[C@H](C)c1ncc(C(=O)OC)s1 ZINC000599440168 1127671297 /nfs/dbraw/zinc/67/12/97/1127671297.db2.gz MFQJPRZDZXOUDF-VXGBXAGGSA-N 0 1 298.452 3.797 20 0 CHADMN CCC[C@@H](NCc1n[nH]c(C(C)C)n1)c1ccsc1 ZINC000296417654 1127671873 /nfs/dbraw/zinc/67/18/73/1127671873.db2.gz LGNXUMIKVXEBJR-GFCCVEGCSA-N 0 1 278.425 3.621 20 0 CHADMN FC(F)(F)c1csc(CN[C@H]2CCC23CCC3)n1 ZINC000669700076 1127674653 /nfs/dbraw/zinc/67/46/53/1127674653.db2.gz HFDZRCBLYOANLT-QMMMGPOBSA-N 0 1 276.327 3.584 20 0 CHADMN Cc1cnccc1CN[C@H]1CCOc2c(Cl)cccc21 ZINC000296543466 1127675460 /nfs/dbraw/zinc/67/54/60/1127675460.db2.gz TZZJHNDWIFVIJV-HNNXBMFYSA-N 0 1 288.778 3.657 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)oc1C ZINC000669699854 1127675824 /nfs/dbraw/zinc/67/58/24/1127675824.db2.gz LGHIFOPWNCLHMO-GHMZBOCLSA-N 0 1 299.374 3.890 20 0 CHADMN Cc1nc(Br)ccc1CN1CCCC[C@H](C)C1 ZINC001232319790 1127681276 /nfs/dbraw/zinc/68/12/76/1127681276.db2.gz LKMVLJYVSYSMAN-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN Cc1cc([C@H](C)Nc2cnn(-c3ccncc3)c2)oc1C ZINC000669703274 1127681403 /nfs/dbraw/zinc/68/14/03/1127681403.db2.gz LUESGTBGKIFYAK-LBPRGKRZSA-N 0 1 282.347 3.650 20 0 CHADMN CC[C@H](CN[C@H]1C[C@@H](C)n2ccnc21)Oc1cccc(C)c1 ZINC000296690436 1127681616 /nfs/dbraw/zinc/68/16/16/1127681616.db2.gz HDDKNWTUZIALBY-INMHGKMJSA-N 0 1 299.418 3.645 20 0 CHADMN CC(C)c1nnc(CN2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)o1 ZINC000296810550 1127683341 /nfs/dbraw/zinc/68/33/41/1127683341.db2.gz RKLXBFXOTGSIGX-FMKPAKJESA-N 0 1 299.418 3.960 20 0 CHADMN CC(C)n1ncnc1CN1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000296634302 1127679169 /nfs/dbraw/zinc/67/91/69/1127679169.db2.gz HXJJXVXIWDIQOR-BFYDXBDKSA-N 0 1 298.434 3.626 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2csc(C)c2)n[nH]1 ZINC000297033386 1127687776 /nfs/dbraw/zinc/68/77/76/1127687776.db2.gz XOAQVBNUIDHMNV-MWLCHTKSSA-N 0 1 278.425 3.539 20 0 CHADMN CC[C@@H](N[C@H](C)c1nccn1CC)c1ccccc1 ZINC000297156557 1127690211 /nfs/dbraw/zinc/69/02/11/1127690211.db2.gz BDLDWUDERCXGDW-UKRRQHHQSA-N 0 1 257.381 3.705 20 0 CHADMN C[C@@H](NCc1cc(C2CC2)ccc1F)c1cccnc1 ZINC000297201761 1127690736 /nfs/dbraw/zinc/69/07/36/1127690736.db2.gz GACCARJJSCEVLB-GFCCVEGCSA-N 0 1 270.351 3.949 20 0 CHADMN CC[C@@H](NCc1ccnc(OC(F)F)c1)c1ccsc1 ZINC000297247202 1127691677 /nfs/dbraw/zinc/69/16/77/1127691677.db2.gz JAHZFAUDXHSWRC-GFCCVEGCSA-N 0 1 298.358 3.985 20 0 CHADMN CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000297321743 1127694052 /nfs/dbraw/zinc/69/40/52/1127694052.db2.gz ZPVMPHHKGVRMMO-STQMWFEESA-N 0 1 298.390 3.627 20 0 CHADMN CN(Cc1nc(C2CC2)no1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297414679 1127695825 /nfs/dbraw/zinc/69/58/25/1127695825.db2.gz DGCRBSCBLUIDLX-JKSUJKDBSA-N 0 1 297.402 3.715 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H]1CCc2cc(C)ccc21 ZINC000297619689 1127701821 /nfs/dbraw/zinc/70/18/21/1127701821.db2.gz IWAXYEMYSNECFU-XJKSGUPXSA-N 0 1 269.392 3.550 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2Cl)C(C)C)[nH]n1 ZINC000604416710 1127704982 /nfs/dbraw/zinc/70/49/82/1127704982.db2.gz AKDCMUKFPRZIIH-OAHLLOKOSA-N 0 1 277.799 3.858 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2Cl)C(C)C)n[nH]1 ZINC000604416710 1127704985 /nfs/dbraw/zinc/70/49/85/1127704985.db2.gz AKDCMUKFPRZIIH-OAHLLOKOSA-N 0 1 277.799 3.858 20 0 CHADMN Cc1cc(CN2CC(C3CCOCC3)C2)ccc1Cl ZINC000669715292 1127705068 /nfs/dbraw/zinc/70/50/68/1127705068.db2.gz BGZJQLRPGMPIGG-UHFFFAOYSA-N 0 1 279.811 3.507 20 0 CHADMN c1cn2c(n1)[C@H](N[C@@H](c1ccccc1)C1CCCC1)CC2 ZINC000297722487 1127705391 /nfs/dbraw/zinc/70/53/91/1127705391.db2.gz NGDBHAOWOLNOCH-SJORKVTESA-N 0 1 281.403 3.849 20 0 CHADMN CC(C)=CCN[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000364573970 1127705738 /nfs/dbraw/zinc/70/57/38/1127705738.db2.gz IWZAROWRAVWBPT-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN c1cn2c(n1)[C@@H](N[C@@H](c1ccccc1)C1CCCC1)CC2 ZINC000297722483 1127705748 /nfs/dbraw/zinc/70/57/48/1127705748.db2.gz NGDBHAOWOLNOCH-IRXDYDNUSA-N 0 1 281.403 3.849 20 0 CHADMN CC(NC(=O)C(F)(F)F)(c1ccccc1)c1ccccc1 ZINC000171512140 1127709191 /nfs/dbraw/zinc/70/91/91/1127709191.db2.gz XAMRESZYAMONDQ-UHFFFAOYSA-N 0 1 293.288 3.629 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H]2c3cccc(F)c3CC[C@H]2C)c2nccn21 ZINC000297869333 1127711087 /nfs/dbraw/zinc/71/10/87/1127711087.db2.gz UMMNLPWWFMQSLK-YLGOIMDESA-N 0 1 299.393 3.941 20 0 CHADMN C[C@@H]1C[C@H](N[C@H]2c3cccc(F)c3CC[C@H]2C)c2nccn21 ZINC000297869339 1127711108 /nfs/dbraw/zinc/71/11/08/1127711108.db2.gz UMMNLPWWFMQSLK-YQPCPPDFSA-N 0 1 299.393 3.941 20 0 CHADMN Clc1ccsc1CN1CCC(c2ccncn2)CC1 ZINC000298039397 1127714303 /nfs/dbraw/zinc/71/43/03/1127714303.db2.gz DCIBWDMQXINNJE-UHFFFAOYSA-N 0 1 293.823 3.571 20 0 CHADMN CCCCNC(=O)CCN(C)[C@@H](C)c1ccccc1Cl ZINC000604758549 1127716193 /nfs/dbraw/zinc/71/61/93/1127716193.db2.gz WXNWBWGQESOLBD-ZDUSSCGKSA-N 0 1 296.842 3.639 20 0 CHADMN C[C@H](CSc1nc(-c2ccccn2)n[nH]1)c1ccccc1 ZINC000604933222 1127721606 /nfs/dbraw/zinc/72/16/06/1127721606.db2.gz NBGYNAZSJPBTEA-GFCCVEGCSA-N 0 1 296.399 3.763 20 0 CHADMN Cc1ccc(NC(=O)CN2CCCC[C@@H]2C(C)C)c(F)c1 ZINC000605000716 1127724698 /nfs/dbraw/zinc/72/46/98/1127724698.db2.gz XKIMBLKWWITRBK-MRXNPFEDSA-N 0 1 292.398 3.583 20 0 CHADMN CC(C)[C@H]1CCCCN1Cc1noc(-c2ccccc2)n1 ZINC000605000371 1127724967 /nfs/dbraw/zinc/72/49/67/1127724967.db2.gz LVGAOUCGXMEXPH-OAHLLOKOSA-N 0 1 285.391 3.747 20 0 CHADMN CCCCCCC(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000298652067 1127728624 /nfs/dbraw/zinc/72/86/24/1127728624.db2.gz OKDQBMUINIJIFY-UHFFFAOYSA-N 0 1 290.342 3.520 20 0 CHADMN Cc1ccc(-c2nnc([C@@H](C)N3C4CCC3CC4)o2)cc1 ZINC000605186672 1127730762 /nfs/dbraw/zinc/73/07/62/1127730762.db2.gz CHOCAVHEVAXRNM-LRVUVFPRSA-N 0 1 283.375 3.733 20 0 CHADMN Cc1cc(-c2noc([C@H](C)N[C@@H](C)C3CC3)n2)ccc1F ZINC000298857115 1127734545 /nfs/dbraw/zinc/73/45/45/1127734545.db2.gz FQVMYSSSPOENLM-QWRGUYRKSA-N 0 1 289.354 3.633 20 0 CHADMN CC(C)n1cc(CNC(C)(C)c2ccc(F)cc2)cn1 ZINC000171841419 1127731269 /nfs/dbraw/zinc/73/12/69/1127731269.db2.gz OZUVVLSUCORORR-UHFFFAOYSA-N 0 1 275.371 3.628 20 0 CHADMN c1cc(Oc2ccccc2)oc1CN1CC([C@@H]2CCOC2)C1 ZINC000365560368 1127733367 /nfs/dbraw/zinc/73/33/67/1127733367.db2.gz MHOLEEZASXLGAI-CQSZACIVSA-N 0 1 299.370 3.540 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2ccnc(C)n2)o1 ZINC000366466987 1127746495 /nfs/dbraw/zinc/74/64/95/1127746495.db2.gz QYAPRFBHTBKCPF-MLGOLLRUSA-N 0 1 285.391 3.660 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2ccnc(C)n2)o1 ZINC000366466987 1127746499 /nfs/dbraw/zinc/74/64/99/1127746499.db2.gz QYAPRFBHTBKCPF-MLGOLLRUSA-N 0 1 285.391 3.660 20 0 CHADMN CO[C@]1(C)CCCN([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000366476229 1127746758 /nfs/dbraw/zinc/74/67/58/1127746758.db2.gz NCULRALKXFEWMC-CXAGYDPISA-N 0 1 294.439 3.924 20 0 CHADMN Cc1cccc(CN2CCS[C@@H](c3ccccc3)C2)n1 ZINC000605575240 1127743077 /nfs/dbraw/zinc/74/30/77/1127743077.db2.gz HWYJEBMYSZLQCM-QGZVFWFLSA-N 0 1 284.428 3.680 20 0 CHADMN Cc1ccccc1CCC(=O)Nc1cccc(Cl)c1O ZINC000605888249 1127747647 /nfs/dbraw/zinc/74/76/47/1127747647.db2.gz UPQYJYXSLSPYEA-UHFFFAOYSA-N 0 1 289.762 3.925 20 0 CHADMN CCCN1C(=O)N=NC1S[C@@H](CC)c1ccc(F)cc1 ZINC000606151478 1127752150 /nfs/dbraw/zinc/75/21/50/1127752150.db2.gz WPTNOAWHMDBUHZ-LBPRGKRZSA-N 0 1 295.383 3.776 20 0 CHADMN C[C@H](NCc1cnc2n1CCCC2)c1ccc(Cl)s1 ZINC000367366578 1127753854 /nfs/dbraw/zinc/75/38/54/1127753854.db2.gz BCOZLELWCMJWIS-JTQLQIEISA-N 0 1 295.839 3.785 20 0 CHADMN c1[nH]nc2c1[C@@H](NCc1ccccc1OC1CCC1)CCC2 ZINC000367625531 1127754303 /nfs/dbraw/zinc/75/43/03/1127754303.db2.gz YOJMCLWIBWZAHI-INIZCTEOSA-N 0 1 297.402 3.508 20 0 CHADMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)N[C@@H](C)c1ccon1 ZINC000544602696 1127756759 /nfs/dbraw/zinc/75/67/59/1127756759.db2.gz AUYBQKHNODZKPM-QWRGUYRKSA-N 0 1 298.308 3.975 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCC2(CC2)CC1 ZINC000368426132 1127758147 /nfs/dbraw/zinc/75/81/47/1127758147.db2.gz UQKLNBQEKDIYIF-OAHLLOKOSA-N 0 1 286.419 3.506 20 0 CHADMN Cc1cc(CNC(=O)C[C@H](C)c2ccc(C(C)C)cc2)n[nH]1 ZINC000606372265 1127760372 /nfs/dbraw/zinc/76/03/72/1127760372.db2.gz MGRQCIWNSPCCMM-ZDUSSCGKSA-N 0 1 299.418 3.652 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000606377473 1127760996 /nfs/dbraw/zinc/76/09/96/1127760996.db2.gz WUABPOVNARPOQA-DOMZBBRYSA-N 0 1 277.412 3.574 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1Cc1nc(C(C)(C)C)no1 ZINC000606433992 1127761904 /nfs/dbraw/zinc/76/19/04/1127761904.db2.gz GDTLHENQVHIUER-STQMWFEESA-N 0 1 279.428 3.768 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1Cc1nc2ccccc2c(=O)[nH]1 ZINC000606433983 1127761953 /nfs/dbraw/zinc/76/19/53/1127761953.db2.gz FPFUEUWUTDHAOY-CZUORRHYSA-N 0 1 299.418 3.736 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1Cc1nc(C(C)C)no1 ZINC000606433925 1127762011 /nfs/dbraw/zinc/76/20/11/1127762011.db2.gz CJEVJOKPZCQKMM-CHWSQXEVSA-N 0 1 265.401 3.594 20 0 CHADMN C[C@@H]1c2ccc(F)cc2CCN1CCOC(C)(C)C ZINC000606449173 1127763086 /nfs/dbraw/zinc/76/30/86/1127763086.db2.gz PIWAKWZXYDJDJM-GFCCVEGCSA-N 0 1 265.372 3.560 20 0 CHADMN Cc1cc(CN2CC[C@H](C)C[C@H]2c2ccco2)nc(C)n1 ZINC000659970944 1127763866 /nfs/dbraw/zinc/76/38/66/1127763866.db2.gz SMFNAAIGIGVTBZ-LRDDRELGSA-N 0 1 285.391 3.660 20 0 CHADMN CCCC(O)(CCC)CNCc1c(F)cccc1Cl ZINC000606471403 1127764983 /nfs/dbraw/zinc/76/49/83/1127764983.db2.gz DCQQHBVITMIZGI-UHFFFAOYSA-N 0 1 287.806 3.900 20 0 CHADMN CC(C)CCOCCN1CCc2cccc(F)c2[C@@H]1C ZINC000606540947 1127766884 /nfs/dbraw/zinc/76/68/84/1127766884.db2.gz RSHVNCXBMBUJSY-AWEZNQCLSA-N 0 1 279.399 3.808 20 0 CHADMN COc1cccc2c1OCC[C@H]2N[C@@H](C)c1cncc(C)c1 ZINC000372106580 1127788247 /nfs/dbraw/zinc/78/82/47/1127788247.db2.gz AHCMODCQJIIZCJ-XJKSGUPXSA-N 0 1 298.386 3.573 20 0 CHADMN Cc1ccncc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000372192242 1127791613 /nfs/dbraw/zinc/79/16/13/1127791613.db2.gz MGIDHLLQSQDRAL-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN CC(C)CC[C@@](C)(O)CNc1ccnc2cc(F)ccc21 ZINC000607147672 1127792065 /nfs/dbraw/zinc/79/20/65/1127792065.db2.gz HUBPZFZWHJLCHJ-QGZVFWFLSA-N 0 1 290.382 3.973 20 0 CHADMN Cc1ccc(CN(C)CCOC2CCCCCC2)o1 ZINC000607150271 1127793245 /nfs/dbraw/zinc/79/32/45/1127793245.db2.gz CMOLWLGXOGUNFJ-UHFFFAOYSA-N 0 1 265.397 3.759 20 0 CHADMN Fc1ccccc1C1CCN(CCC(F)(F)F)CC1 ZINC000607153572 1127793252 /nfs/dbraw/zinc/79/32/52/1127793252.db2.gz RRWRNVROOWPZGJ-UHFFFAOYSA-N 0 1 275.289 3.958 20 0 CHADMN CC[C@H](Cc1ccccc1)N(C)Cc1ncc(Cl)n1C ZINC000172928909 1127794596 /nfs/dbraw/zinc/79/45/96/1127794596.db2.gz BNZOHIKWWHKOOB-CQSZACIVSA-N 0 1 291.826 3.527 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2csc(Br)c2)C1 ZINC000607155409 1127796616 /nfs/dbraw/zinc/79/66/16/1127796616.db2.gz UIHSTCZDBXBYIS-BDAKNGLRSA-N 0 1 274.227 3.741 20 0 CHADMN CCCc1nc(CN2CCCCC[C@@H]2CC(C)C)no1 ZINC000607157052 1127796764 /nfs/dbraw/zinc/79/67/64/1127796764.db2.gz ZTGXVBVVUNELDY-CQSZACIVSA-N 0 1 279.428 3.813 20 0 CHADMN Cc1oncc1CN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000372595670 1127806259 /nfs/dbraw/zinc/80/62/59/1127806259.db2.gz PZNXSWROPQUISW-UHFFFAOYSA-N 0 1 292.329 3.641 20 0 CHADMN S=c1[nH]ccn1C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000173313314 1127818675 /nfs/dbraw/zinc/81/86/75/1127818675.db2.gz WNFFMOYRUDSDMN-HNNXBMFYSA-N 0 1 285.416 3.655 20 0 CHADMN S=c1[nH]ccn1CN(C1CC1)[C@H]1CCc2ccccc21 ZINC000173313314 1127818676 /nfs/dbraw/zinc/81/86/76/1127818676.db2.gz WNFFMOYRUDSDMN-HNNXBMFYSA-N 0 1 285.416 3.655 20 0 CHADMN S=c1[nH]ccn1C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000173312308 1127819347 /nfs/dbraw/zinc/81/93/47/1127819347.db2.gz BHMIKXUOINCVFD-CYBMUJFWSA-N 0 1 265.426 3.548 20 0 CHADMN CC(C)c1cc(=O)n(-c2ccc(F)c(C(F)(F)F)c2)[nH]1 ZINC001245916904 1131241085 /nfs/dbraw/zinc/24/10/85/1131241085.db2.gz AOMJJNNOTBNCGW-UHFFFAOYSA-N 0 1 288.244 3.859 20 0 CHADMN S=c1[nH]ccn1CN1CCC[C@@H](c2ccccc2)CC1 ZINC000173337839 1127819958 /nfs/dbraw/zinc/81/99/58/1127819958.db2.gz MPRACXPHKBYMGD-OAHLLOKOSA-N 0 1 287.432 3.773 20 0 CHADMN CCc1ccc(-c2noc(CN3CCC[C@H](C)[C@H]3C)n2)cc1 ZINC000607740745 1127822390 /nfs/dbraw/zinc/82/23/90/1127822390.db2.gz RHASNRVOJYUFSJ-UONOGXRCSA-N 0 1 299.418 3.919 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1CCC[C@H](C)[C@@H]1C ZINC000607741098 1127822831 /nfs/dbraw/zinc/82/28/31/1127822831.db2.gz RIQJPSLJBMETLW-AAEUAGOBSA-N 0 1 294.826 3.707 20 0 CHADMN Cc1ccc(-c2noc(CN3CCC[C@H](C)[C@@H]3C)n2)cc1 ZINC000607740500 1127823251 /nfs/dbraw/zinc/82/32/51/1127823251.db2.gz YWCWVMUZZFQOTN-KBPBESRZSA-N 0 1 285.391 3.665 20 0 CHADMN CCCN(CCC)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000411169877 1127844653 /nfs/dbraw/zinc/84/46/53/1127844653.db2.gz VOYJAXKCXZYUGM-AWEZNQCLSA-N 0 1 287.407 3.843 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2nnc(C)[nH]2)CC[C@H]1c1ccccc1 ZINC000411297551 1127853001 /nfs/dbraw/zinc/85/30/01/1127853001.db2.gz IGXSLJBKTMDNBF-YSVLISHTSA-N 0 1 298.434 3.690 20 0 CHADMN CC[C@@H](CN(CC)[C@H](C)c1nnc(C)[nH]1)c1ccccc1 ZINC000411560970 1127865564 /nfs/dbraw/zinc/86/55/64/1127865564.db2.gz QBGOGLMYDRWWKQ-HIFRSBDPSA-N 0 1 286.423 3.690 20 0 CHADMN CSCCCN(C)Cc1ccc(-c2ncco2)cc1F ZINC000411680719 1127869181 /nfs/dbraw/zinc/86/91/81/1127869181.db2.gz YHBMFUINFOQYTD-UHFFFAOYSA-N 0 1 294.395 3.666 20 0 CHADMN Cc1ccc(C)c(OCCCN2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000411657590 1127868591 /nfs/dbraw/zinc/86/85/91/1127868591.db2.gz UPPKLPSFUHMCMZ-QGZVFWFLSA-N 0 1 299.418 3.633 20 0 CHADMN Cc1cnc(C[N@H+]2CCCC[C@H]2Cc2ccc(F)cc2)o1 ZINC000608494662 1127869756 /nfs/dbraw/zinc/86/97/56/1127869756.db2.gz MTRWKUHCRJQHQU-INIZCTEOSA-N 0 1 288.366 3.719 20 0 CHADMN Cc1cnc(CN2CCCC[C@H]2Cc2ccc(F)cc2)o1 ZINC000608494662 1127869761 /nfs/dbraw/zinc/86/97/61/1127869761.db2.gz MTRWKUHCRJQHQU-INIZCTEOSA-N 0 1 288.366 3.719 20 0 CHADMN Cc1ccc(C[N@H+](Cc2ccccc2N(C)C)C2CC2)o1 ZINC000608492652 1127869778 /nfs/dbraw/zinc/86/97/78/1127869778.db2.gz GJKGNDXALLOLTM-UHFFFAOYSA-N 0 1 284.403 3.819 20 0 CHADMN Cc1ccc(CN(Cc2ccccc2N(C)C)C2CC2)o1 ZINC000608492652 1127869783 /nfs/dbraw/zinc/86/97/83/1127869783.db2.gz GJKGNDXALLOLTM-UHFFFAOYSA-N 0 1 284.403 3.819 20 0 CHADMN Cc1cccc([C@@H](C)[N@H+]2CCOc3ccccc3C2)c1 ZINC000608493042 1127870189 /nfs/dbraw/zinc/87/01/89/1127870189.db2.gz BIXSXLAZMAWNJL-OAHLLOKOSA-N 0 1 267.372 3.951 20 0 CHADMN FC(F)(F)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](CC2CCC2)C1 ZINC000608493115 1127870806 /nfs/dbraw/zinc/87/08/06/1127870806.db2.gz AMEZYJUPEBTYCT-AOOOYVTPSA-N 0 1 289.263 3.849 20 0 CHADMN CCc1nc(CN2C3CCCC2CCC3)cs1 ZINC000608499856 1127871946 /nfs/dbraw/zinc/87/19/46/1127871946.db2.gz DAFHFFBCFGRVGF-UHFFFAOYSA-N 0 1 250.411 3.613 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2OC(F)F)C[C@@H](C)S1 ZINC000608502163 1127873486 /nfs/dbraw/zinc/87/34/86/1127873486.db2.gz FEMOOVPOLAFAFA-GHMZBOCLSA-N 0 1 287.375 3.614 20 0 CHADMN CCCc1nc(CN2CCC3(CCCC3)C2)cs1 ZINC000174264047 1127884095 /nfs/dbraw/zinc/88/40/95/1127884095.db2.gz AUMAKPMYYSAUHL-UHFFFAOYSA-N 0 1 264.438 3.862 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N(C)C[C@@H]1CCCCO1 ZINC000608756670 1127887175 /nfs/dbraw/zinc/88/71/75/1127887175.db2.gz KVAGGRILIHIGOH-BBRMVZONSA-N 0 1 283.362 3.917 20 0 CHADMN Brc1cncc(CN2CCC3(CCCC3)C2)c1 ZINC000174276853 1127888400 /nfs/dbraw/zinc/88/84/00/1127888400.db2.gz DZDWWMHYVGXIQX-UHFFFAOYSA-N 0 1 295.224 3.610 20 0 CHADMN COC(=O)c1coc(CN(C)[C@@H]2CCCc3ccccc32)c1 ZINC000608832414 1127890030 /nfs/dbraw/zinc/89/00/30/1127890030.db2.gz ILBUURBEFDMSTC-QGZVFWFLSA-N 0 1 299.370 3.576 20 0 CHADMN COC1([C@@H](C)NCc2csc(C3CCCC3)n2)CCC1 ZINC000412021084 1127890684 /nfs/dbraw/zinc/89/06/84/1127890684.db2.gz LFTPELLWUGNDGZ-GFCCVEGCSA-N 0 1 294.464 3.848 20 0 CHADMN C[C@@H]1CC(C)(C)CN1Cc1ncccc1C(F)(F)F ZINC000412050146 1127892483 /nfs/dbraw/zinc/89/24/83/1127892483.db2.gz XMLQLESUXLDMIW-SNVBAGLBSA-N 0 1 272.314 3.721 20 0 CHADMN COc1cc(C)c(C)cc1CN1CCc2cc(O)ccc2C1 ZINC001238758885 1131241668 /nfs/dbraw/zinc/24/16/68/1131241668.db2.gz XGUGRZJGLGJPJZ-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN COc1cc(C)c(C)cc1CN1CCc2ccsc2C1 ZINC001238763093 1131241632 /nfs/dbraw/zinc/24/16/32/1131241632.db2.gz HPAPNDCRDSZZQP-UHFFFAOYSA-N 0 1 287.428 3.932 20 0 CHADMN COc1cc(C)c(C)cc1CN1CCC(F)(F)CC1 ZINC001238760477 1131241674 /nfs/dbraw/zinc/24/16/74/1131241674.db2.gz URTNBXVYRCPURU-UHFFFAOYSA-N 0 1 269.335 3.543 20 0 CHADMN CC(C)CC1(C(=O)N[C@H]2CCCc3cn[nH]c32)CCCC1 ZINC000374442031 1127897504 /nfs/dbraw/zinc/89/75/04/1127897504.db2.gz DPXCXTMGUBRNPK-AWEZNQCLSA-N 0 1 289.423 3.510 20 0 CHADMN CCCC[C@H](C(=O)OC)N1CC[C@H](c2ccccc2C)C1 ZINC000608990920 1127898400 /nfs/dbraw/zinc/89/84/00/1127898400.db2.gz BZVFJTZYJBCIAR-DOTOQJQBSA-N 0 1 289.419 3.516 20 0 CHADMN CCCC[C@@H](C(=O)OC)N1CC[C@H](c2ccccc2C)C1 ZINC000608990924 1127898601 /nfs/dbraw/zinc/89/86/01/1127898601.db2.gz BZVFJTZYJBCIAR-RDJZCZTQSA-N 0 1 289.419 3.516 20 0 CHADMN Cc1ccc(C[C@@H]2CCCN([C@@H](C)c3ncccn3)C2)cc1 ZINC000929424701 1127900382 /nfs/dbraw/zinc/90/03/82/1127900382.db2.gz NGPBICYKBIVWHP-WMZOPIPTSA-N 0 1 295.430 3.801 20 0 CHADMN CCC1CN(C(=O)c2cc(Cl)c3ccccc3c2O)C1 ZINC000457270575 1127908731 /nfs/dbraw/zinc/90/87/31/1127908731.db2.gz FQLNOZZMNFEWLZ-UHFFFAOYSA-N 0 1 289.762 3.681 20 0 CHADMN COCc1cnc(CN2CCC[C@H](C(C)C)CC2)s1 ZINC000539405991 1127921814 /nfs/dbraw/zinc/92/18/14/1127921814.db2.gz VDWUYFSUSCKISA-ZDUSSCGKSA-N 0 1 282.453 3.548 20 0 CHADMN CCCCC[C@H](CC)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000375006975 1127924339 /nfs/dbraw/zinc/92/43/39/1127924339.db2.gz ZNQLVTFAJZOYKV-AWEZNQCLSA-N 0 1 291.439 3.722 20 0 CHADMN Cc1cccn2c(CN[C@H](C)c3ccsc3)cnc12 ZINC000669830780 1127929801 /nfs/dbraw/zinc/92/98/01/1127929801.db2.gz ACZZVYIPXCKDCW-GFCCVEGCSA-N 0 1 271.389 3.555 20 0 CHADMN C[C@@H](NCc1c[nH]c(-c2ccccc2)n1)c1ccsc1 ZINC000669831284 1127930462 /nfs/dbraw/zinc/93/04/62/1127930462.db2.gz UBSPJONDTLAOIO-GFCCVEGCSA-N 0 1 283.400 3.989 20 0 CHADMN C[C@@H](NCc1cnc(-c2ccccc2)[nH]1)c1ccsc1 ZINC000669831284 1127930468 /nfs/dbraw/zinc/93/04/68/1127930468.db2.gz UBSPJONDTLAOIO-GFCCVEGCSA-N 0 1 283.400 3.989 20 0 CHADMN Cn1cnc(CN[C@@H](c2cccs2)C2CCCC2)c1 ZINC000311562739 1127936970 /nfs/dbraw/zinc/93/69/70/1127936970.db2.gz SKEAXZLUWFPMDT-OAHLLOKOSA-N 0 1 275.421 3.503 20 0 CHADMN C[C@@H](CCc1cccc(F)c1)[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000375346149 1127941738 /nfs/dbraw/zinc/94/17/38/1127941738.db2.gz VRWPWNVWZVQJFP-XJKSGUPXSA-N 0 1 287.382 3.707 20 0 CHADMN C[C@@H](CCc1cccc(F)c1)N1CCC[C@@H]1c1ncc[nH]1 ZINC000375346149 1127941740 /nfs/dbraw/zinc/94/17/40/1127941740.db2.gz VRWPWNVWZVQJFP-XJKSGUPXSA-N 0 1 287.382 3.707 20 0 CHADMN Cc1ccc([C@H]2[C@@H](C)CCCN2Cc2ccn(C)n2)cc1 ZINC000539822940 1127943228 /nfs/dbraw/zinc/94/32/28/1127943228.db2.gz XGGUTXQHICLIHD-MAUKXSAKSA-N 0 1 283.419 3.702 20 0 CHADMN CCCOc1c(C[N@H+]2CCC[C@H]2C)cccc1OCC ZINC000539827856 1127945601 /nfs/dbraw/zinc/94/56/01/1127945601.db2.gz JSRBLGXRAQEYCL-CQSZACIVSA-N 0 1 277.408 3.858 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN(C)Cc1ccc[nH]1 ZINC000539862782 1127948320 /nfs/dbraw/zinc/94/83/20/1127948320.db2.gz QENFGWDQDHANFF-UHFFFAOYSA-N 0 1 262.784 3.917 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1Cc1cc(OC)cc(C)n1 ZINC000466933563 1127950245 /nfs/dbraw/zinc/95/02/45/1127950245.db2.gz RJIOKCWTLPMPSI-GOSISDBHSA-N 0 1 296.414 3.736 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2ccsc2)c(C)n1 ZINC000669850686 1127951894 /nfs/dbraw/zinc/95/18/94/1127951894.db2.gz FYNHPDGRTWXQNG-NXEZZACHSA-N 0 1 261.394 3.567 20 0 CHADMN COC[C@@H]1CCCC[N@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000467117874 1127955878 /nfs/dbraw/zinc/95/58/78/1127955878.db2.gz NEXGPSAIXRYSGK-QWHCGFSZSA-N 0 1 283.362 3.774 20 0 CHADMN C[C@H]1CCCC[C@H]1CC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000539997467 1127957214 /nfs/dbraw/zinc/95/72/14/1127957214.db2.gz UARDJTHJWCYRIC-STQMWFEESA-N 0 1 298.390 3.627 20 0 CHADMN Cc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2ccc(C)cc2)o1 ZINC000505600931 1127957291 /nfs/dbraw/zinc/95/72/91/1127957291.db2.gz BMOUAEZGAVBIHQ-UHFFFAOYSA-N 0 1 295.386 3.919 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC[C@H](Cc3ccccc3)C2)o1 ZINC000540054343 1127959584 /nfs/dbraw/zinc/95/95/84/1127959584.db2.gz WFMLUDHAARCEKR-NVXWUHKLSA-N 0 1 284.403 3.999 20 0 CHADMN CC(C)c1noc([C@H](C)N2CC[C@@H](C(C)(C)C)C2)n1 ZINC000544187483 1127961632 /nfs/dbraw/zinc/96/16/32/1127961632.db2.gz CDQYSDQLUQXGPZ-NWDGAFQWSA-N 0 1 265.401 3.622 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CC[C@H](C(C)(C)C)C2)n1 ZINC000544187482 1127962161 /nfs/dbraw/zinc/96/21/61/1127962161.db2.gz CDQYSDQLUQXGPZ-NEPJUHHUSA-N 0 1 265.401 3.622 20 0 CHADMN CO[C@@H]1CN([C@@H](C)c2cccc(Cl)c2F)CC[C@@H]1C ZINC000467297849 1127964129 /nfs/dbraw/zinc/96/41/29/1127964129.db2.gz KPDMRCJXPONRRY-COPLHBTASA-N 0 1 285.790 3.897 20 0 CHADMN CCC[C@H](N[C@@H](CO)c1ccccc1OC)c1ccccc1 ZINC000540190407 1127967676 /nfs/dbraw/zinc/96/76/76/1127967676.db2.gz UEOGYQUPWTXCEY-ROUUACIJSA-N 0 1 299.414 3.860 20 0 CHADMN C[C@H](NCCCOc1cccc2ccccc21)c1ccon1 ZINC000544550629 1127976638 /nfs/dbraw/zinc/97/66/38/1127976638.db2.gz ZDTIPYBZJWPEAM-AWEZNQCLSA-N 0 1 296.370 3.948 20 0 CHADMN Cc1nc(CN(C)C[C@@H]2CCCOC2)sc1C(C)(C)C ZINC000929609003 1127977843 /nfs/dbraw/zinc/97/78/43/1127977843.db2.gz URMGTXSFWLJJEE-ZDUSSCGKSA-N 0 1 296.480 3.607 20 0 CHADMN c1ccc(-c2n[nH]c(SCC[C@@H]3CCCCO3)n2)cc1 ZINC000544623292 1127979316 /nfs/dbraw/zinc/97/93/16/1127979316.db2.gz UMXZPONMZMEXDJ-ZDUSSCGKSA-N 0 1 289.404 3.523 20 0 CHADMN C[C@@H](NC1CC(c2cccc(Cl)c2)C1)c1ccon1 ZINC000544617060 1127979379 /nfs/dbraw/zinc/97/93/79/1127979379.db2.gz MHYCLPVCPWJNJK-PWQPVHBWSA-N 0 1 276.767 3.925 20 0 CHADMN CCC[C@@H](C)CN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000540506353 1127982224 /nfs/dbraw/zinc/98/22/24/1127982224.db2.gz DTDRKUDWMPZCIH-CJNGLKHVSA-N 0 1 265.372 3.635 20 0 CHADMN COc1cccc(Cl)c1CN1CC[C@H]1C(C)C ZINC000540502090 1127982426 /nfs/dbraw/zinc/98/24/26/1127982426.db2.gz CFCRCAHHCSRENG-ZDUSSCGKSA-N 0 1 253.773 3.579 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000506766760 1127983925 /nfs/dbraw/zinc/98/39/25/1127983925.db2.gz LNGZCGKYAREAEJ-GFCCVEGCSA-N 0 1 275.289 3.908 20 0 CHADMN Cc1nc(CN2CC[C@H](C)C(C)(C)C2)nc2ccccc12 ZINC000544781361 1127983372 /nfs/dbraw/zinc/98/33/72/1127983372.db2.gz SGNUKDBRHHMIKS-ZDUSSCGKSA-N 0 1 283.419 3.806 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CC[C@](C)(CC)C1 ZINC000468121787 1127993317 /nfs/dbraw/zinc/99/33/17/1127993317.db2.gz TZLIMZLUVPUYKG-KRWDZBQOSA-N 0 1 289.398 3.817 20 0 CHADMN CC[C@@]1(C)CC[N@@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC000468138251 1127995237 /nfs/dbraw/zinc/99/52/37/1127995237.db2.gz LRKYDUWOHSTURM-HNNXBMFYSA-N 0 1 262.328 3.589 20 0 CHADMN CC[C@@]1(C)CCN(Cc2nc3ccc(F)cc3o2)C1 ZINC000468138251 1127995239 /nfs/dbraw/zinc/99/52/39/1127995239.db2.gz LRKYDUWOHSTURM-HNNXBMFYSA-N 0 1 262.328 3.589 20 0 CHADMN CCN(c1ccc(N[C@@H](C)[C@@H]2CCCO2)cc1)C(C)C ZINC000753701027 1127997534 /nfs/dbraw/zinc/99/75/34/1127997534.db2.gz UZCFUDSRFFPMOL-YOEHRIQHSA-N 0 1 276.424 3.901 20 0 CHADMN Cc1ccc(-c2cc(-c3nc([C@@H]4C[C@H]4C)no3)[nH]n2)cc1 ZINC000545064642 1127998271 /nfs/dbraw/zinc/99/82/71/1127998271.db2.gz PNOSFCNGNFFYCZ-ZYHUDNBSSA-N 0 1 280.331 3.559 20 0 CHADMN C[C@H](c1ncccn1)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000929641075 1127999320 /nfs/dbraw/zinc/99/93/20/1127999320.db2.gz MJGFSEAQOFYZLH-CRAIPNDOSA-N 0 1 281.403 3.591 20 0 CHADMN CCc1ccccc1NC(=O)CN1CC[C@@H](C)C(C)(C)C1 ZINC000545415866 1128014146 /nfs/dbraw/zinc/01/41/46/1128014146.db2.gz VBIWYPLSLUXHSP-CQSZACIVSA-N 0 1 288.435 3.556 20 0 CHADMN Cc1cc(CN2CCCCC[C@@H]2c2ccco2)c(C)nn1 ZINC000929675768 1128016264 /nfs/dbraw/zinc/01/62/64/1128016264.db2.gz IEPRVDXZOJONER-MRXNPFEDSA-N 0 1 285.391 3.804 20 0 CHADMN CC(C)(C)CCN[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000541541834 1128025226 /nfs/dbraw/zinc/02/52/26/1128025226.db2.gz KPKGUMIPRXBSOH-INIZCTEOSA-N 0 1 287.382 3.731 20 0 CHADMN CCc1cnc(CN2CC[C@H](Cc3ccccc3)C2)s1 ZINC000541534176 1128026058 /nfs/dbraw/zinc/02/60/58/1128026058.db2.gz MILARIYIAPMXCW-OAHLLOKOSA-N 0 1 286.444 3.770 20 0 CHADMN CCC(CC)c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000545729096 1128030771 /nfs/dbraw/zinc/03/07/71/1128030771.db2.gz CJDACLGDEVFRMM-UHFFFAOYSA-N 0 1 270.336 3.825 20 0 CHADMN Cl/C=C\CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000913611346 1128032271 /nfs/dbraw/zinc/03/22/71/1128032271.db2.gz YXXCNVPJVISFLZ-KCKXTUGSSA-N 0 1 277.780 3.820 20 0 CHADMN C[C@H]1C[C@@H]1c1noc(-c2ccc3[nH]c(C(F)F)nc3c2)n1 ZINC000545773649 1128032888 /nfs/dbraw/zinc/03/28/88/1128032888.db2.gz FOWDOCGQIOCZHM-XPUUQOCRSA-N 0 1 290.273 3.674 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H](C)CCC(C)(C)C)c1 ZINC000541708241 1128034652 /nfs/dbraw/zinc/03/46/52/1128034652.db2.gz WEPYDZIUYVYKFB-NSHDSACASA-N 0 1 291.391 3.996 20 0 CHADMN CCCOc1ccc(CN(C)Cc2ccccn2)cc1 ZINC000541763842 1128037271 /nfs/dbraw/zinc/03/72/71/1128037271.db2.gz XPUAACTXJKWWCR-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN COc1ccc(Cl)cc1CN1CCCC[C@@H]1C ZINC000302747662 1128040804 /nfs/dbraw/zinc/04/08/04/1128040804.db2.gz SJHOHQIXMFBBRT-NSHDSACASA-N 0 1 253.773 3.723 20 0 CHADMN CCCCOCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000469472831 1128044601 /nfs/dbraw/zinc/04/46/01/1128044601.db2.gz QTCXLJXSCCSQDE-ZDUSSCGKSA-N 0 1 283.362 3.571 20 0 CHADMN CO[C@H]1CCN(Cc2nc(C)c(C(C)(C)C)s2)[C@@H](C)C1 ZINC000930321960 1128049719 /nfs/dbraw/zinc/04/97/19/1128049719.db2.gz AVZHDWNRDCEULC-AAEUAGOBSA-N 0 1 296.480 3.748 20 0 CHADMN Cc1ccc(-c2ccc(CN3CCOCC4(CC4)C3)o2)cc1 ZINC000542173716 1128054760 /nfs/dbraw/zinc/05/47/60/1128054760.db2.gz GQZSQDYRWQMLQW-UHFFFAOYSA-N 0 1 297.398 3.867 20 0 CHADMN C[C@H]1CN(Cc2cnc(-c3ccccc3)o2)C[C@H](C)S1 ZINC000929725882 1128057088 /nfs/dbraw/zinc/05/70/88/1128057088.db2.gz MTZLYFBACYNILF-STQMWFEESA-N 0 1 288.416 3.667 20 0 CHADMN C[C@H](c1cn(-c2ccccc2)nn1)N(C)C[C@H]1CC=CCC1 ZINC000542249648 1128059342 /nfs/dbraw/zinc/05/93/42/1128059342.db2.gz VUUIHQYVXSWMHO-CVEARBPZSA-N 0 1 296.418 3.616 20 0 CHADMN Fc1cccc(CCN2CCC[C@@H]2c2ccccn2)c1F ZINC000542278608 1128060771 /nfs/dbraw/zinc/06/07/71/1128060771.db2.gz AZPDBFOWCAEZLP-MRXNPFEDSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1cc(C)cc([C@H](C)NC(=O)c2n[nH]c3ccccc32)c1 ZINC000303252746 1128061806 /nfs/dbraw/zinc/06/18/06/1128061806.db2.gz BSEAMCPCGYNKBF-ZDUSSCGKSA-N 0 1 293.370 3.671 20 0 CHADMN Cc1cccc([C@H]2CCN(Cc3ccn(C(C)C)n3)C2)c1 ZINC000542318662 1128063204 /nfs/dbraw/zinc/06/32/04/1128063204.db2.gz DPAZVVAJEIIJMH-KRWDZBQOSA-N 0 1 283.419 3.762 20 0 CHADMN CC[C@](C)(CNCc1coc(-c2ccc(C)cc2)n1)OC ZINC000648726714 1128072055 /nfs/dbraw/zinc/07/20/55/1128072055.db2.gz UUZUVAOXEQYQJL-QGZVFWFLSA-N 0 1 288.391 3.555 20 0 CHADMN O=C(NCCCSc1ccc(Cl)cc1)C(F)(F)F ZINC000151722464 1128074199 /nfs/dbraw/zinc/07/41/99/1128074199.db2.gz YKPXEDBBMWWKAO-UHFFFAOYSA-N 0 1 297.729 3.501 20 0 CHADMN C[C@H]1CN(Cc2csc3ccccc23)C[C@@H](C2CC2)O1 ZINC000470907569 1128079591 /nfs/dbraw/zinc/07/95/91/1128079591.db2.gz FFOOBZAHWAVGKD-LRDDRELGSA-N 0 1 287.428 3.901 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2cccc(F)c2C(C)(F)F)[nH]1 ZINC000913764994 1128080122 /nfs/dbraw/zinc/08/01/22/1128080122.db2.gz LXBBDIVFLHUBAH-UHFFFAOYSA-N 0 1 297.280 3.530 20 0 CHADMN C[C@@H]1CN([C@H]2CCCc3ccc(F)cc32)C[C@H](C2CC2)O1 ZINC000470921387 1128081317 /nfs/dbraw/zinc/08/13/17/1128081317.db2.gz BMOXLEPAPFWFTG-OCBCSQNSSA-N 0 1 289.394 3.702 20 0 CHADMN CC(C)N1CCC[C@@H]1c1nc(CC2(C)CCCC2)no1 ZINC000924071432 1128090088 /nfs/dbraw/zinc/09/00/88/1128090088.db2.gz QJULGZYXNSDLHX-CYBMUJFWSA-N 0 1 277.412 3.738 20 0 CHADMN CC(C)N1CCC[C@H]1c1nc(CC2(C)CCCC2)no1 ZINC000924071433 1128090100 /nfs/dbraw/zinc/09/01/00/1128090100.db2.gz QJULGZYXNSDLHX-ZDUSSCGKSA-N 0 1 277.412 3.738 20 0 CHADMN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCCCC1 ZINC000173864225 1128093857 /nfs/dbraw/zinc/09/38/57/1128093857.db2.gz XRMAOVFFBDCEGU-LLVKDONJSA-N 0 1 291.782 3.937 20 0 CHADMN CCC[C@@H](CC)N(CC(=O)OCC)Cc1ccccc1 ZINC001257256129 1128099245 /nfs/dbraw/zinc/09/92/45/1128099245.db2.gz DJQXBBJBKPKZFK-MRXNPFEDSA-N 0 1 277.408 3.630 20 0 CHADMN CC(C)N1CCC[C@@H]1c1nc(-c2cc3ccccc3[nH]2)no1 ZINC000924428134 1128101207 /nfs/dbraw/zinc/10/12/07/1128101207.db2.gz JFSMQOMRXIYMAX-OAHLLOKOSA-N 0 1 296.374 3.763 20 0 CHADMN COc1ccnc([C@H](C)NCc2cccc(Cl)c2)c1 ZINC000924529665 1128101881 /nfs/dbraw/zinc/10/18/81/1128101881.db2.gz RVVINFUISCTBIO-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn2c(n1)CCCC2)c1cccs1 ZINC000924549278 1128104745 /nfs/dbraw/zinc/10/47/45/1128104745.db2.gz SNUUNZQVRFIXOO-NWDGAFQWSA-N 0 1 275.421 3.693 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)C2(Br)CC2)o1 ZINC000924563337 1128105695 /nfs/dbraw/zinc/10/56/95/1128105695.db2.gz ICCYMIPTTJPXNF-ZJUUUORDSA-N 0 1 272.186 3.555 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2cc(O)cc(F)c2)c1 ZINC000924687827 1128109861 /nfs/dbraw/zinc/10/98/61/1128109861.db2.gz KRCLGQYBXPXPGG-GFCCVEGCSA-N 0 1 289.350 3.781 20 0 CHADMN CCOc1cccc(CN[C@@H](C)c2cc(O)cc(F)c2)c1 ZINC000924687829 1128110016 /nfs/dbraw/zinc/11/00/16/1128110016.db2.gz KRCLGQYBXPXPGG-LBPRGKRZSA-N 0 1 289.350 3.781 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)N[C@@H](C)c1ccnnc1 ZINC000924691808 1128110075 /nfs/dbraw/zinc/11/00/75/1128110075.db2.gz HUHOONJOPVDQBP-KBPBESRZSA-N 0 1 285.391 3.676 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)c1cnnn1C ZINC000924710559 1128110502 /nfs/dbraw/zinc/11/05/02/1128110502.db2.gz LVLMXORHNBWGEQ-STQMWFEESA-N 0 1 286.423 3.524 20 0 CHADMN Cc1c2ccccc2oc1[C@H](C)N[C@@H](C)c1ccnnc1 ZINC000924773599 1128112261 /nfs/dbraw/zinc/11/22/61/1128112261.db2.gz PKADEXWGKQGODA-STQMWFEESA-N 0 1 281.359 3.943 20 0 CHADMN COc1ccnc([C@@H](C)NCc2ccc(SC)cc2)c1 ZINC000924771379 1128112380 /nfs/dbraw/zinc/11/23/80/1128112380.db2.gz XMSYRZJXKYXLHC-GFCCVEGCSA-N 0 1 288.416 3.663 20 0 CHADMN C[C@H](NCC(C)(C)c1cccc(Cl)c1)c1ncco1 ZINC000924859166 1128115530 /nfs/dbraw/zinc/11/55/30/1128115530.db2.gz ARNSEUMECRYPOP-NSHDSACASA-N 0 1 278.783 3.956 20 0 CHADMN C[C@H](NCC(C)(C)c1ccccc1Cl)c1ncco1 ZINC000924933194 1128116846 /nfs/dbraw/zinc/11/68/46/1128116846.db2.gz HQASGCDWNGRIRK-NSHDSACASA-N 0 1 278.783 3.956 20 0 CHADMN CCN(C)c1ccccc1CN[C@H](C)c1c(C)noc1C ZINC000924996009 1128118772 /nfs/dbraw/zinc/11/87/72/1128118772.db2.gz LXFZAJKPEPXLNO-GFCCVEGCSA-N 0 1 287.407 3.598 20 0 CHADMN CCC[C@H](NC[C@H](O)[C@@H](C)CC)c1ncccc1Cl ZINC000925045501 1128119873 /nfs/dbraw/zinc/11/98/73/1128119873.db2.gz LHOKOLGFKNOEBN-UBHSHLNASA-N 0 1 284.831 3.573 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H](C)c1cn(C(C)C)nn1)C1CC1 ZINC000925046504 1128120050 /nfs/dbraw/zinc/12/00/50/1128120050.db2.gz QXVRBWOASKIFAA-KBXCAEBGSA-N 0 1 298.434 3.969 20 0 CHADMN COc1ccc([C@H](C)CCN[C@@H](C)c2ncco2)cc1 ZINC000925143416 1128123776 /nfs/dbraw/zinc/12/37/76/1128123776.db2.gz ZWWKUTFVASJTED-OLZOCXBDSA-N 0 1 274.364 3.528 20 0 CHADMN c1[nH]nnc1S[C@@H](Cc1ccccc1)c1ccccc1 ZINC000176763872 1128124179 /nfs/dbraw/zinc/12/41/79/1128124179.db2.gz KQEVXCOMFMFXPY-HNNXBMFYSA-N 0 1 281.384 3.881 20 0 CHADMN CSC1CC(NCc2coc(-c3ccc(C)cc3)n2)C1 ZINC000925191543 1128125317 /nfs/dbraw/zinc/12/53/17/1128125317.db2.gz NHUFRULIMOPXEI-UHFFFAOYSA-N 0 1 288.416 3.634 20 0 CHADMN CCCCC[C@H](C)N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000314870898 1128126162 /nfs/dbraw/zinc/12/61/62/1128126162.db2.gz XOKAKNUSYCCCEP-WDEREUQCSA-N 0 1 284.425 3.549 20 0 CHADMN C[C@@H]1c2cccn2CCN1CC(C)(C)Oc1ccccc1 ZINC001205094482 1128126609 /nfs/dbraw/zinc/12/66/09/1128126609.db2.gz VGRDTWWOWTULQG-OAHLLOKOSA-N 0 1 284.403 3.722 20 0 CHADMN CSc1cc(CN[C@@H](c2ccccn2)C2CCC2)ccn1 ZINC000925293351 1128128077 /nfs/dbraw/zinc/12/80/77/1128128077.db2.gz AFRUQFVGEANVIP-QGZVFWFLSA-N 0 1 299.443 3.830 20 0 CHADMN CS[C@@H](C)CN[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000925602900 1128133480 /nfs/dbraw/zinc/13/34/80/1128133480.db2.gz YOOUJCHQTUQNIM-YOEHRIQHSA-N 0 1 286.444 3.821 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@@H](C)c1cc(O)cc(F)c1 ZINC000925686294 1128136764 /nfs/dbraw/zinc/13/67/64/1128136764.db2.gz STSIZUVQEYCQTN-RYUDHWBXSA-N 0 1 288.366 3.901 20 0 CHADMN Cc1cccc([C@H](NCCOC2CCC2)c2ccccn2)c1 ZINC000925893208 1128145318 /nfs/dbraw/zinc/14/53/18/1128145318.db2.gz ACKNDEYWFAYUHL-IBGZPJMESA-N 0 1 296.414 3.638 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)/C=C/C(C)(C)C)c1 ZINC000493608580 1128145794 /nfs/dbraw/zinc/14/57/94/1128145794.db2.gz AAADXMXMKPMOPA-CMDGGOBGSA-N 0 1 275.348 3.526 20 0 CHADMN Cc1ccc([C@@H](NCc2cc(N)cc[nH+]2)C2CCC2)cc1 ZINC000925765330 1128141026 /nfs/dbraw/zinc/14/10/26/1128141026.db2.gz AJPLOTDIJHNTFP-SFHVURJKSA-N 0 1 281.403 3.603 20 0 CHADMN COc1ccc(Cl)cc1CN1CCS[C@@H](C)CC1 ZINC000494015851 1128154368 /nfs/dbraw/zinc/15/43/68/1128154368.db2.gz GXUKNZWJXNYIMX-NSHDSACASA-N 0 1 285.840 3.676 20 0 CHADMN CCCc1csc(CN[C@H]2C[C@@H](OCC)C23CCC3)n1 ZINC000494104973 1128157326 /nfs/dbraw/zinc/15/73/26/1128157326.db2.gz GHXWDWQUQDMLME-UONOGXRCSA-N 0 1 294.464 3.533 20 0 CHADMN CCC[C@H](NCCOC(C)C)c1ncccc1Cl ZINC000926156695 1128157515 /nfs/dbraw/zinc/15/75/15/1128157515.db2.gz UKEHMKKPSZQWCY-ZDUSSCGKSA-N 0 1 270.804 3.591 20 0 CHADMN COc1ccnc([C@@H](C)NCc2ccc(C(F)F)cc2)c1 ZINC000926181780 1128159234 /nfs/dbraw/zinc/15/92/34/1128159234.db2.gz CRQKMQHEKFGZJK-LLVKDONJSA-N 0 1 292.329 3.879 20 0 CHADMN COc1ccnc([C@H](C)NCc2c(C)oc3ccccc32)c1 ZINC000926196919 1128159441 /nfs/dbraw/zinc/15/94/41/1128159441.db2.gz NFGDZQHAJJMKLZ-LBPRGKRZSA-N 0 1 296.370 3.996 20 0 CHADMN CCC[C@@H](NC[C@@H]1CCC=CO1)c1ncccc1Cl ZINC000926230649 1128161628 /nfs/dbraw/zinc/16/16/28/1128161628.db2.gz GIYZFGCKISLYFU-GXTWGEPZSA-N 0 1 280.799 3.859 20 0 CHADMN C[C@@H](NCc1cccc(OC(C)(C)C)c1)c1ccnnc1 ZINC000926829513 1128197153 /nfs/dbraw/zinc/19/71/53/1128197153.db2.gz IESBZWODFKLQBY-CYBMUJFWSA-N 0 1 285.391 3.505 20 0 CHADMN C[C@@H](CC(=O)Nc1cccc(Cl)c1O)C(F)(F)F ZINC000626280317 1128165523 /nfs/dbraw/zinc/16/55/23/1128165523.db2.gz WZRJSINUPHHABW-LURJTMIESA-N 0 1 281.661 3.573 20 0 CHADMN Cc1cscc1CN[C@H](C)c1c(C)noc1C ZINC000926304361 1128165931 /nfs/dbraw/zinc/16/59/31/1128165931.db2.gz SALCHXFAUOCXKP-SECBINFHSA-N 0 1 250.367 3.512 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccsc1)c1cnnn1-c1ccccc1 ZINC000926370833 1128170415 /nfs/dbraw/zinc/17/04/15/1128170415.db2.gz VJFQOKBPCHEPMJ-QWHCGFSZSA-N 0 1 298.415 3.741 20 0 CHADMN Cc1cc(CCN[C@H](C)c2ncco2)ccc1Cl ZINC000926455328 1128173090 /nfs/dbraw/zinc/17/30/90/1128173090.db2.gz GTINTIQRDOFDBV-LLVKDONJSA-N 0 1 264.756 3.530 20 0 CHADMN Cc1cc(CCN[C@@H](C)c2ncco2)ccc1Cl ZINC000926455329 1128173525 /nfs/dbraw/zinc/17/35/25/1128173525.db2.gz GTINTIQRDOFDBV-NSHDSACASA-N 0 1 264.756 3.530 20 0 CHADMN CCc1nc(C)c(CN[C@H](C)c2cc3ccccc3[nH]2)o1 ZINC000926478452 1128173977 /nfs/dbraw/zinc/17/39/77/1128173977.db2.gz CFJRCCNCIWOUOL-LLVKDONJSA-N 0 1 283.375 3.878 20 0 CHADMN CCc1nc(C)c(CN[C@H]2CCc3cccc(C)c32)o1 ZINC000926477038 1128174310 /nfs/dbraw/zinc/17/43/10/1128174310.db2.gz JAMCWMYTAJPPBZ-AWEZNQCLSA-N 0 1 270.376 3.631 20 0 CHADMN C[C@H](NC[C@H]1CCC[C@@H]1c1ccccc1)c1ncco1 ZINC000926502516 1128176116 /nfs/dbraw/zinc/17/61/16/1128176116.db2.gz SRZNBNXAJHBHQX-NUEKZKHPSA-N 0 1 270.376 3.909 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccc1C(F)(F)F)c1cn[nH]c1 ZINC000222466438 1128177439 /nfs/dbraw/zinc/17/74/39/1128177439.db2.gz UYNYFCMAHFDNDQ-ZJUUUORDSA-N 0 1 283.297 3.840 20 0 CHADMN CC[C@@H]1C[C@H]1CN[C@@H](c1ccccn1)c1ccccc1OC ZINC000926523202 1128178351 /nfs/dbraw/zinc/17/83/51/1128178351.db2.gz VDIOTRSQPDMMSK-ZRGWGRIASA-N 0 1 296.414 3.815 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)c1cn[nH]c1 ZINC000222494532 1128178393 /nfs/dbraw/zinc/17/83/93/1128178393.db2.gz OFXDMNXKYKGFBB-VHSXEESVSA-N 0 1 283.297 3.840 20 0 CHADMN Fc1cncc(CNCc2ccc(-c3cccnc3)cc2)c1 ZINC000494581612 1128178763 /nfs/dbraw/zinc/17/87/63/1128178763.db2.gz ZKDGMNGLYGLJAC-UHFFFAOYSA-N 0 1 293.345 3.573 20 0 CHADMN Cc1cccc([C@@H](C)N[C@H](C)c2cn3c(n2)CCCC3)c1 ZINC000926555320 1128180880 /nfs/dbraw/zinc/18/08/80/1128180880.db2.gz MSBNHKAZVFZJTD-HUUCEWRRSA-N 0 1 283.419 3.940 20 0 CHADMN CCCC[C@H](CC)CNC(=O)c1ccc(Cl)c(O)c1 ZINC001290687305 1128181284 /nfs/dbraw/zinc/18/12/84/1128181284.db2.gz MKRPLLRBOAUANC-NSHDSACASA-N 0 1 283.799 3.992 20 0 CHADMN Clc1cccc([C@@H](N[C@@H]2CC23CC3)c2ccccn2)c1 ZINC000926613269 1128184060 /nfs/dbraw/zinc/18/40/60/1128184060.db2.gz CPUYTHIQSYUCTP-HZPDHXFCSA-N 0 1 284.790 3.967 20 0 CHADMN Cc1ccccc1C1(N[C@@H](C)c2ccns2)CC1 ZINC000926629152 1128184568 /nfs/dbraw/zinc/18/45/68/1128184568.db2.gz YVLCSXSCYKIJHH-LBPRGKRZSA-N 0 1 258.390 3.791 20 0 CHADMN C[C@H](NC1(c2cccc(Cl)c2)CCC1)c1ccnnc1 ZINC000926639631 1128185492 /nfs/dbraw/zinc/18/54/92/1128185492.db2.gz SEXLXHYONSDYGH-LBPRGKRZSA-N 0 1 287.794 3.860 20 0 CHADMN Clc1ccccc1CN1CCC[C@@H](OCC2CC2)C1 ZINC000494689343 1128185893 /nfs/dbraw/zinc/18/58/93/1128185893.db2.gz KTJZCWZHAJVHGV-OAHLLOKOSA-N 0 1 279.811 3.731 20 0 CHADMN CCc1cccc(CN[C@H](C)c2cn3c(n2)CCCC3)c1 ZINC000926657289 1128186575 /nfs/dbraw/zinc/18/65/75/1128186575.db2.gz XUZRPWVVBTVCDN-CQSZACIVSA-N 0 1 283.419 3.633 20 0 CHADMN CC1(C)CC[C@H](N[C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000542494406 1128187510 /nfs/dbraw/zinc/18/75/10/1128187510.db2.gz NHRRWLXHNFGVEE-DOTOQJQBSA-N 0 1 299.393 3.873 20 0 CHADMN CCC[C@H](N[C@@H]1C=CCC1)c1ncccc1Cl ZINC000926689952 1128187949 /nfs/dbraw/zinc/18/79/49/1128187949.db2.gz MKZXSUBCGXHHBB-YPMHNXCESA-N 0 1 250.773 3.884 20 0 CHADMN C[C@@H](NCc1c(C2CC2)cnn1C)c1coc2ccccc12 ZINC000926704171 1128189023 /nfs/dbraw/zinc/18/90/23/1128189023.db2.gz XQNJROSVMYQTMX-GFCCVEGCSA-N 0 1 295.386 3.895 20 0 CHADMN CC(C)[C@H](O)[C@@H](N[C@@H](C)c1ccns1)c1ccccc1 ZINC000926715096 1128189591 /nfs/dbraw/zinc/18/95/91/1128189591.db2.gz KXBZGZTUTNDDDZ-RCBQFDQVSA-N 0 1 290.432 3.552 20 0 CHADMN CC(C)[C@@H](O)[C@H](N[C@@H](C)c1ccns1)c1ccccc1 ZINC000926715093 1128189987 /nfs/dbraw/zinc/18/99/87/1128189987.db2.gz KXBZGZTUTNDDDZ-APHBMKBZSA-N 0 1 290.432 3.552 20 0 CHADMN CCC[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1ncccc1Cl ZINC000926768734 1128192664 /nfs/dbraw/zinc/19/26/64/1128192664.db2.gz WOSHFXPGEAKNAV-QEJZJMRPSA-N 0 1 294.826 3.733 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Cl)c(F)c2)CCS1 ZINC000494152543 1128156963 /nfs/dbraw/zinc/15/69/63/1128156963.db2.gz KOAVEONGSAKLHS-JTQLQIEISA-N 0 1 273.804 3.807 20 0 CHADMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)c1cscn1 ZINC000777700852 1128247506 /nfs/dbraw/zinc/24/75/06/1128247506.db2.gz JSZZJPQISHZICT-JTQLQIEISA-N 0 1 279.384 3.517 20 0 CHADMN CCc1onc(C)c1CN(CC)Cc1ccccc1 ZINC000929129230 1128259378 /nfs/dbraw/zinc/25/93/78/1128259378.db2.gz WRWMVMSHGVPIKV-UHFFFAOYSA-N 0 1 258.365 3.568 20 0 CHADMN CN(Cc1ccsc1)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929179305 1128262266 /nfs/dbraw/zinc/26/22/66/1128262266.db2.gz HHIAMKJNFYQMKF-NWDGAFQWSA-N 0 1 293.354 3.680 20 0 CHADMN C[N@@H+](CCCC(C)(F)F)Cc1ccc(Br)o1 ZINC000929176127 1128262758 /nfs/dbraw/zinc/26/27/58/1128262758.db2.gz WRNTWXFLPUKVPX-UHFFFAOYSA-N 0 1 296.155 3.909 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnn(C)n1)c1cccc2ccccc21 ZINC000926877289 1128200013 /nfs/dbraw/zinc/20/00/13/1128200013.db2.gz MVVGEZSPYRHEFW-GUYCJALGSA-N 0 1 294.402 3.770 20 0 CHADMN CCC[C@H](N[C@@H]1CCO[C@H]1C1CC1)c1ncccc1Cl ZINC000926889789 1128200212 /nfs/dbraw/zinc/20/02/12/1128200212.db2.gz ZJYSQDPZPQJEJT-LZWOXQAQSA-N 0 1 294.826 3.733 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2ccc(F)cc2C)c(C)n1 ZINC000926898406 1128201039 /nfs/dbraw/zinc/20/10/39/1128201039.db2.gz NULLSHBQZJZPRV-NEPJUHHUSA-N 0 1 287.382 3.953 20 0 CHADMN CCc1ccc2ccccc2c1CN[C@H](C)c1nccn1C ZINC000926938450 1128203844 /nfs/dbraw/zinc/20/38/44/1128203844.db2.gz OZFLMJLFAWOZNV-CQSZACIVSA-N 0 1 293.414 3.987 20 0 CHADMN Cc1cnc(CN[C@@H]2CSCCc3ccccc32)c(C)c1 ZINC000926955745 1128206008 /nfs/dbraw/zinc/20/60/08/1128206008.db2.gz WPOPXBMYCLNDDB-GOSISDBHSA-N 0 1 298.455 3.819 20 0 CHADMN c1nc2c(s1)CCC[C@@H]2NC[C@H]1CCCC2(CCC2)O1 ZINC000927010004 1128207556 /nfs/dbraw/zinc/20/75/56/1128207556.db2.gz HKMKMKZRQHQANK-OLZOCXBDSA-N 0 1 292.448 3.602 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H]2CCCC3(CCC3)O2)cs1 ZINC000927013399 1128208284 /nfs/dbraw/zinc/20/82/84/1128208284.db2.gz WVVKDSJWAQTBQL-DGCLKSJQSA-N 0 1 280.437 3.594 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2cccnc21)c1ccc2c(c1)COC2 ZINC000927059297 1128212115 /nfs/dbraw/zinc/21/21/15/1128212115.db2.gz CZRKLBIUEMVPRS-FZKQIMNGSA-N 0 1 294.398 3.840 20 0 CHADMN c1cnc2c(c1)CCC[C@@H]2N[C@@H]1CCCc2ncccc21 ZINC000927061153 1128212175 /nfs/dbraw/zinc/21/21/75/1128212175.db2.gz BWWFCOXHJUAPAK-SJORKVTESA-N 0 1 279.387 3.521 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H](c2nccs2)c2ccccc2)[C@H]1C ZINC000494921228 1128212354 /nfs/dbraw/zinc/21/23/54/1128212354.db2.gz UZBPZEGAPJZDNT-PAPYEOQZSA-N 0 1 272.417 3.867 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2cccnc21)c1ccnn1C1CCC1 ZINC000927061196 1128212404 /nfs/dbraw/zinc/21/24/04/1128212404.db2.gz CKAHQFXCGXKXGZ-CZUORRHYSA-N 0 1 296.418 3.731 20 0 CHADMN Cc1cncc([C@H](C)N[C@@H]2CCCc3cccnc32)c1 ZINC000927062361 1128212955 /nfs/dbraw/zinc/21/29/55/1128212955.db2.gz YZTVLNGZHCJYLL-XJKSGUPXSA-N 0 1 267.376 3.513 20 0 CHADMN CC(C)[C@@H](N[C@H]1CCCc2cccnc21)c1ccc(F)cn1 ZINC000927062950 1128213163 /nfs/dbraw/zinc/21/31/63/1128213163.db2.gz QGESBSSTLHQJBL-DLBZAZTESA-N 0 1 299.393 3.980 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@H]1CCCc3cccnc31)CC2 ZINC000927063037 1128213212 /nfs/dbraw/zinc/21/32/12/1128213212.db2.gz RLTMDGNVMYPUKI-MSOLQXFVSA-N 0 1 294.398 3.745 20 0 CHADMN C[C@@H](N[C@H]1CCCc2cccnc21)c1ccc(Cl)nc1 ZINC000927062851 1128213309 /nfs/dbraw/zinc/21/33/09/1128213309.db2.gz OQTZXFOXRSDNJA-RISCZKNCSA-N 0 1 287.794 3.858 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1ccc(F)cc1F)c1cnn(C)c1 ZINC000927066159 1128213887 /nfs/dbraw/zinc/21/38/87/1128213887.db2.gz LCMOHNSKFWCSHR-ZBEGNZNMSA-N 0 1 293.361 3.746 20 0 CHADMN COc1ccc([C@H](N[C@@H](C)c2ncc[nH]2)C2CCC2)cc1 ZINC000927064601 1128214034 /nfs/dbraw/zinc/21/40/34/1128214034.db2.gz RLDAWYVZUJFXOQ-BLLLJJGKSA-N 0 1 285.391 3.610 20 0 CHADMN C(=C/c1ccncc1)\CN1CCOC2(C1)CCCCCC2 ZINC000494930328 1128214415 /nfs/dbraw/zinc/21/44/15/1128214415.db2.gz LREGUGVSQPBVPS-AATRIKPKSA-N 0 1 286.419 3.520 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1ccncc1Cl)c1cnn(C)c1 ZINC000927067825 1128214947 /nfs/dbraw/zinc/21/49/47/1128214947.db2.gz HOMBIJSMWYRXGG-ABAIWWIYSA-N 0 1 292.814 3.516 20 0 CHADMN Cc1cc([C@H](C)NCc2cc(C3CC3)nn2C)cs1 ZINC000927099048 1128217575 /nfs/dbraw/zinc/21/75/75/1128217575.db2.gz GMPOICSOCRDNDC-NSHDSACASA-N 0 1 275.421 3.518 20 0 CHADMN C[C@H](NCc1cc(C2CC2)nn1C)c1csc(Cl)c1 ZINC000927099264 1128217617 /nfs/dbraw/zinc/21/76/17/1128217617.db2.gz ATAVQNHNBGHJJN-VIFPVBQESA-N 0 1 295.839 3.863 20 0 CHADMN C[C@@H]1C[N@@H+](C/C=C/c2ccncc2)[C@H]1c1ccccc1 ZINC000494979023 1128220706 /nfs/dbraw/zinc/22/07/06/1128220706.db2.gz WMJZVIIQOZLVFZ-CDZANEANSA-N 0 1 264.372 3.788 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3ccccc3C)[nH]n2)o1 ZINC000193122226 1128220792 /nfs/dbraw/zinc/22/07/92/1128220792.db2.gz BGGCJKKYRMNNPI-UHFFFAOYSA-N 0 1 281.315 3.539 20 0 CHADMN CCc1ncc(CN2CCC[C@H]2c2ccsc2)o1 ZINC000929263321 1128266705 /nfs/dbraw/zinc/26/67/05/1128266705.db2.gz LFDCYEAZHPTPRA-ZDUSSCGKSA-N 0 1 262.378 3.636 20 0 CHADMN CCc1onc(C)c1CN[C@H]1CCSc2ccccc21 ZINC000927136273 1128221617 /nfs/dbraw/zinc/22/16/17/1128221617.db2.gz CDDMISXYLJTWRQ-AWEZNQCLSA-N 0 1 288.416 3.872 20 0 CHADMN CC(C)[C@@H]1CN(Cc2sccc2Cl)CCS1 ZINC000494995876 1128222872 /nfs/dbraw/zinc/22/28/72/1128222872.db2.gz KOXHPMYRJUNYNO-NSHDSACASA-N 0 1 275.870 3.975 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)N1CCOC[C@@H]1c1ccccc1 ZINC001168477410 1128225113 /nfs/dbraw/zinc/22/51/13/1128225113.db2.gz BWDXSXUYLLVHOS-HNAYVOBHSA-N 0 1 299.389 3.830 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)N(Cc2n[nH]c(C(C)(C)C)n2)C1 ZINC000433189995 1128226008 /nfs/dbraw/zinc/22/60/08/1128226008.db2.gz GLTVBMMYABHNFU-DZGCQCFKSA-N 0 1 298.434 3.685 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1ccc(C)c(F)c1 ZINC000073007300 1128234082 /nfs/dbraw/zinc/23/40/82/1128234082.db2.gz YOJREAWRLVVBMK-SNVBAGLBSA-N 0 1 262.328 3.590 20 0 CHADMN CCc1onc(C)c1CN1CCC(OCCC(C)C)CC1 ZINC000929278723 1128267722 /nfs/dbraw/zinc/26/77/22/1128267722.db2.gz MHIFOOHYGMVCLL-UHFFFAOYSA-N 0 1 294.439 3.573 20 0 CHADMN COc1cccc(CN(C)C/C=C/c2ccccc2)c1OC ZINC001203451633 1128272709 /nfs/dbraw/zinc/27/27/09/1128272709.db2.gz YLJLXEDEEAEZIB-DHZHZOJOSA-N 0 1 297.398 3.849 20 0 CHADMN Cc1cc(CN2CCC[C@H]2C2CC2)cnc1Br ZINC000929511800 1128276001 /nfs/dbraw/zinc/27/60/01/1128276001.db2.gz ZZUCCAZLBJBQSR-ZDUSSCGKSA-N 0 1 295.224 3.527 20 0 CHADMN Brc1ccc(CN2CCC3(CC3)CC2)s1 ZINC000677717174 1128277020 /nfs/dbraw/zinc/27/70/20/1128277020.db2.gz BUVJOULCRJQADK-UHFFFAOYSA-N 0 1 286.238 3.887 20 0 CHADMN Cc1nnsc1[C@@H](C)N1CC[C@H](c2ccccc2F)C1 ZINC000929599932 1128278750 /nfs/dbraw/zinc/27/87/50/1128278750.db2.gz VPKAWGJYSFAGMH-NEPJUHHUSA-N 0 1 291.395 3.536 20 0 CHADMN CCc1ncc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)o1 ZINC000929646552 1128280597 /nfs/dbraw/zinc/28/05/97/1128280597.db2.gz ASEXUPCYHILZIB-INIZCTEOSA-N 0 1 260.381 3.559 20 0 CHADMN Cc1nnsc1[C@H](C)N1CCC(C(C)(C)C)CC1 ZINC000929658180 1128281348 /nfs/dbraw/zinc/28/13/48/1128281348.db2.gz XALWSRDRGKEMRA-NSHDSACASA-N 0 1 267.442 3.666 20 0 CHADMN Cc1cc(CN2C[C@@H](C)C[C@H]2c2cccc(F)c2)c(C)nn1 ZINC000929720843 1128283085 /nfs/dbraw/zinc/28/30/85/1128283085.db2.gz SMBWATMWYZMMTC-SGTLLEGYSA-N 0 1 299.393 3.816 20 0 CHADMN C[C@@H](c1ncccn1)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000929819687 1128289244 /nfs/dbraw/zinc/28/92/44/1128289244.db2.gz QTOOYNRARKSPLD-LPHOPBHVSA-N 0 1 295.430 3.882 20 0 CHADMN CN(CCOC(C)(C)C)Cc1cnc(-c2ccccc2)o1 ZINC000929853131 1128290275 /nfs/dbraw/zinc/29/02/75/1128290275.db2.gz GSNKRMCHYYSQMQ-UHFFFAOYSA-N 0 1 288.391 3.589 20 0 CHADMN CC[C@@H]1CCCN(Cn2c3ccccc3n(C)c2=S)C1 ZINC000915205728 1128290732 /nfs/dbraw/zinc/29/07/32/1128290732.db2.gz ILBOBADGHMOVHR-CYBMUJFWSA-N 0 1 289.448 3.789 20 0 CHADMN CCc1ncc(CN([C@H](C)c2ccccc2)C2CC2)o1 ZINC000929904994 1128292811 /nfs/dbraw/zinc/29/28/11/1128292811.db2.gz GEMZGFKSYNHEKJ-CYBMUJFWSA-N 0 1 270.376 3.963 20 0 CHADMN CC1CC(CN[C@H](c2nccs2)c2ccccc2)C1 ZINC000929919548 1128294160 /nfs/dbraw/zinc/29/41/60/1128294160.db2.gz WOEFASAWEDQEAG-PIMMBPRGSA-N 0 1 272.417 3.868 20 0 CHADMN S=c1ncccn1CN1CCCC[C@H]1c1ccccc1 ZINC000762467916 1128301607 /nfs/dbraw/zinc/30/16/07/1128301607.db2.gz TXOZSYUQSMXXDE-HNNXBMFYSA-N 0 1 285.416 3.797 20 0 CHADMN c1cc(CN(C[C@H]2CCCC3(CCC3)O2)C2CC2)ccn1 ZINC000930113198 1128301260 /nfs/dbraw/zinc/30/12/60/1128301260.db2.gz BNYPWPYBQCPBOD-QGZVFWFLSA-N 0 1 286.419 3.538 20 0 CHADMN C[C@@H](c1cccnc1)[N@@H+](C)C[C@@H]1CCCC2(CCC2)O1 ZINC000930118416 1128302571 /nfs/dbraw/zinc/30/25/71/1128302571.db2.gz GKNPAHGSXMNVHH-HOCLYGCPSA-N 0 1 274.408 3.566 20 0 CHADMN Cc1cn(C)nc1CN[C@@H](C)c1cccc2ccccc21 ZINC000930181857 1128304616 /nfs/dbraw/zinc/30/46/16/1128304616.db2.gz CFFAZAGFBLEXOJ-AWEZNQCLSA-N 0 1 279.387 3.733 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccc(F)nc2)cc1F ZINC000930185534 1128304850 /nfs/dbraw/zinc/30/48/50/1128304850.db2.gz JHPPIKWDXWFDFP-WDEREUQCSA-N 0 1 292.329 3.780 20 0 CHADMN CCOc1ccc([C@H](C)NCc2cc(C)cc(C)n2)cc1 ZINC000930186549 1128305618 /nfs/dbraw/zinc/30/56/18/1128305618.db2.gz BHETXUCFZZSLEB-HNNXBMFYSA-N 0 1 284.403 3.948 20 0 CHADMN COC/C(C)=C/CN[C@@H](C)c1ccc(F)cc1Cl ZINC000930220638 1128308604 /nfs/dbraw/zinc/30/86/04/1128308604.db2.gz DPSVMZBCDTYQGC-RUYJGKKWSA-N 0 1 271.763 3.722 20 0 CHADMN CCc1ncc(CNC(C)(C)c2cccc(C)c2)o1 ZINC000930222544 1128308666 /nfs/dbraw/zinc/30/86/66/1128308666.db2.gz PQUNAHLFMLXOKW-UHFFFAOYSA-N 0 1 258.365 3.570 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1ccccc1CF ZINC000930224133 1128309161 /nfs/dbraw/zinc/30/91/61/1128309161.db2.gz XKNFDNLVJJAILJ-SNVBAGLBSA-N 0 1 262.328 3.612 20 0 CHADMN Cc1nnsc1[C@@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000930238468 1128310471 /nfs/dbraw/zinc/31/04/71/1128310471.db2.gz DWHZZAPBIOTBSS-YGRLFVJLSA-N 0 1 273.405 3.648 20 0 CHADMN Cc1cc(C)nc(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000930368849 1128316479 /nfs/dbraw/zinc/31/64/79/1128316479.db2.gz WYZWZGIBPQJXIL-KGLIPLIRSA-N 0 1 299.245 3.714 20 0 CHADMN Cc1nc(C)c(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)[nH]1 ZINC000930531033 1128323848 /nfs/dbraw/zinc/32/38/48/1128323848.db2.gz GASOTHJOLKFBOU-YPMHNXCESA-N 0 1 289.345 3.579 20 0 CHADMN Cc1cccc(CCN(C)Cc2cc(C)cnc2F)c1 ZINC001235337823 1128324349 /nfs/dbraw/zinc/32/43/49/1128324349.db2.gz HFIXETSIFXWSGY-UHFFFAOYSA-N 0 1 272.367 3.512 20 0 CHADMN CCCCN(Cc1nncs1)[C@@H]1CCC[C@H](C)C1 ZINC000930583742 1128326484 /nfs/dbraw/zinc/32/64/84/1128326484.db2.gz XCKWIYZLVPKFCE-QWHCGFSZSA-N 0 1 267.442 3.719 20 0 CHADMN CC[C@H](C)[C@H](C)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000930632262 1128328490 /nfs/dbraw/zinc/32/84/90/1128328490.db2.gz ZSQNQOMCHOEWPN-IUCAKERBSA-N 0 1 295.333 3.665 20 0 CHADMN COc1cccc(CSc2nc3ccc(C)cc3[nH]2)n1 ZINC000495808459 1128328605 /nfs/dbraw/zinc/32/86/05/1128328605.db2.gz LNXPMUJBMXAAGM-UHFFFAOYSA-N 0 1 285.372 3.567 20 0 CHADMN Clc1ccc(COc2ccccc2-c2nnc[nH]2)s1 ZINC000762959453 1128336499 /nfs/dbraw/zinc/33/64/99/1128336499.db2.gz VQARLZJTSYLQNU-UHFFFAOYSA-N 0 1 291.763 3.766 20 0 CHADMN CCn1cc(C[N@@H+](Cc2ccccc2CF)C(C)C)cn1 ZINC000930859399 1128337851 /nfs/dbraw/zinc/33/78/51/1128337851.db2.gz WZYXYVUVWVBQIS-UHFFFAOYSA-N 0 1 289.398 3.783 20 0 CHADMN Cc1cn[nH]c1CSc1ncnc2sc(C)c(C)c21 ZINC000915772424 1128338290 /nfs/dbraw/zinc/33/82/90/1128338290.db2.gz PIALZMLCNWJUPC-UHFFFAOYSA-N 0 1 290.417 3.632 20 0 CHADMN COC/C(C)=C\CN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000930964092 1128341768 /nfs/dbraw/zinc/34/17/68/1128341768.db2.gz ATQWMCKQEBJPMD-VFXTVZEFSA-N 0 1 275.392 3.789 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2F)C(C)C)c(C)nn1 ZINC000930970055 1128341976 /nfs/dbraw/zinc/34/19/76/1128341976.db2.gz WYGUHLSJZHHQKW-QGZVFWFLSA-N 0 1 287.382 3.719 20 0 CHADMN Cc1nc2ccc(NC(=O)C(F)=C3CCCC3)cc2[nH]1 ZINC000763025111 1128346036 /nfs/dbraw/zinc/34/60/36/1128346036.db2.gz NKBTUENRDVOYAB-UHFFFAOYSA-N 0 1 273.311 3.607 20 0 CHADMN Cc1cnc(C(C)(C)NCCO[C@H]2CCCC[C@@H]2C)s1 ZINC000542580223 1128349115 /nfs/dbraw/zinc/34/91/15/1128349115.db2.gz JUOLXBXOBQMDJB-JSGCOSHPSA-N 0 1 296.480 3.872 20 0 CHADMN FC(F)(F)[C@@H](NCc1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC000561756632 1128352029 /nfs/dbraw/zinc/35/20/29/1128352029.db2.gz LIYXWGMHBABWQV-ZDUSSCGKSA-N 0 1 295.308 3.507 20 0 CHADMN C[C@@H]1CC(F)(F)CCN1Cc1cnc(-c2ccccc2)o1 ZINC000931256010 1128353679 /nfs/dbraw/zinc/35/36/79/1128353679.db2.gz WNNZFFZQYIYOLH-GFCCVEGCSA-N 0 1 292.329 3.961 20 0 CHADMN CC[C@@H](C)NC(=O)[C@@H](C)N(C)Cc1ccc(C(C)C)cc1 ZINC000561807140 1128354833 /nfs/dbraw/zinc/35/48/33/1128354833.db2.gz AQVGXKSOJBIBDV-HUUCEWRRSA-N 0 1 290.451 3.545 20 0 CHADMN FC(F)c1cccc(CN2CCC(c3ncco3)CC2)c1 ZINC000931443753 1128361634 /nfs/dbraw/zinc/36/16/34/1128361634.db2.gz CBALBICSSSCFER-UHFFFAOYSA-N 0 1 292.329 3.992 20 0 CHADMN C[C@@H](c1cccc(F)c1)N1CCC(c2ncco2)CC1 ZINC000931448357 1128362195 /nfs/dbraw/zinc/36/21/95/1128362195.db2.gz BFAJSGNWUPSDOI-LBPRGKRZSA-N 0 1 274.339 3.754 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000561956201 1128364795 /nfs/dbraw/zinc/36/47/95/1128364795.db2.gz DYEXTRSWZVSADD-INIZCTEOSA-N 0 1 268.360 3.514 20 0 CHADMN [O-]c1cccnc1C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000561956201 1128364798 /nfs/dbraw/zinc/36/47/98/1128364798.db2.gz DYEXTRSWZVSADD-INIZCTEOSA-N 0 1 268.360 3.514 20 0 CHADMN Cc1cc(CN[C@@H]2CSc3ccccc32)cc(C)c1O ZINC000561953139 1128365301 /nfs/dbraw/zinc/36/53/01/1128365301.db2.gz HXSRLHFNHNHIPH-OAHLLOKOSA-N 0 1 285.412 3.946 20 0 CHADMN Cc1csc(SCc2ccc3nc(C)[nH]c3c2)n1 ZINC000763176485 1128365406 /nfs/dbraw/zinc/36/54/06/1128365406.db2.gz RJWRUGBCXVIOQK-UHFFFAOYSA-N 0 1 275.402 3.929 20 0 CHADMN Cc1ccc([C@H]2COCCN2C[C@@H](C)C(C)(C)C)o1 ZINC000670264515 1128376817 /nfs/dbraw/zinc/37/68/17/1128376817.db2.gz PNTSIVMINWTPRY-TZMCWYRMSA-N 0 1 265.397 3.644 20 0 CHADMN Fc1ccc(CNc2ccnc3[nH]cnc32)c(F)c1Cl ZINC001168506221 1128377833 /nfs/dbraw/zinc/37/78/33/1128377833.db2.gz WDAHGQSKOLGJDB-UHFFFAOYSA-N 0 1 294.692 3.502 20 0 CHADMN Clc1ccc(CCCN2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000562137372 1128380673 /nfs/dbraw/zinc/38/06/73/1128380673.db2.gz XFUSFRNPAXFLSG-HOTGVXAUSA-N 0 1 279.811 3.526 20 0 CHADMN Cc1cn(C)nc1CN[C@@H]1CCc2cccc3cccc1c32 ZINC000931807135 1128382234 /nfs/dbraw/zinc/38/22/34/1128382234.db2.gz UVBPBCKOHANFEZ-QGZVFWFLSA-N 0 1 291.398 3.659 20 0 CHADMN Clc1cccc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)n1 ZINC000931933282 1128388462 /nfs/dbraw/zinc/38/84/62/1128388462.db2.gz NTMYAYJDLOOLNT-WMLDXEAASA-N 0 1 284.790 3.509 20 0 CHADMN C[C@@H]1C[C@@H](CNc2noc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000562245256 1128389905 /nfs/dbraw/zinc/38/99/05/1128389905.db2.gz FNJPFMQGEKBWDM-JGPRNRPPSA-N 0 1 294.782 3.519 20 0 CHADMN C[C@H](N(C)Cc1csc(N(C)C2CC2)n1)C(C)(C)C ZINC000562320358 1128395477 /nfs/dbraw/zinc/39/54/77/1128395477.db2.gz WCMQXXINMULBET-NSHDSACASA-N 0 1 281.469 3.608 20 0 CHADMN CC(C)Oc1ccc(CNCc2ccc3c(n2)CCC3)cc1 ZINC000562680037 1128417235 /nfs/dbraw/zinc/41/72/35/1128417235.db2.gz TZOGSBXPCABCHG-UHFFFAOYSA-N 0 1 296.414 3.647 20 0 CHADMN CC(C)(C)OC[C@H]1CCCN1Cc1ccc(Cl)cn1 ZINC000932167349 1128397605 /nfs/dbraw/zinc/39/76/05/1128397605.db2.gz PYORPVSLAFJHDD-CQSZACIVSA-N 0 1 282.815 3.515 20 0 CHADMN CCCc1nc(C)c(CN[C@@H](C)c2ccc3n[nH]cc3c2)o1 ZINC000562379589 1128398360 /nfs/dbraw/zinc/39/83/60/1128398360.db2.gz BIDZPDZDQVLGGP-NSHDSACASA-N 0 1 298.390 3.663 20 0 CHADMN Cl/C=C\CN1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932193161 1128399880 /nfs/dbraw/zinc/39/98/80/1128399880.db2.gz DELBYXUZNLLWPZ-UFVHFEBBSA-N 0 1 282.840 3.564 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2CC3(CCC3)Oc3ccccc32)[nH]1 ZINC000932213574 1128400508 /nfs/dbraw/zinc/40/05/08/1128400508.db2.gz XQQLYEZQEFPWPK-OAHLLOKOSA-N 0 1 297.402 3.563 20 0 CHADMN CCCOc1cccc(CN2CCC[C@@H]2c2ccnn2C)c1 ZINC000932265206 1128402345 /nfs/dbraw/zinc/40/23/45/1128402345.db2.gz OFEATSVRFSDBJL-GOSISDBHSA-N 0 1 299.418 3.546 20 0 CHADMN Cc1nsc(C)c1CN1C[C@H](C)[C@H]1c1ccccc1 ZINC000562442149 1128403084 /nfs/dbraw/zinc/40/30/84/1128403084.db2.gz KMEVXRZECNFWRZ-ZBEGNZNMSA-N 0 1 272.417 3.953 20 0 CHADMN CCN(C(=O)c1[nH]cnc1C)c1ccc2ccccc2c1 ZINC001142757718 1128417844 /nfs/dbraw/zinc/41/78/44/1128417844.db2.gz WWSDHUJJNITYCP-UHFFFAOYSA-N 0 1 279.343 3.538 20 0 CHADMN Cc1cc(Cl)cc(CNc2ccc3nn[nH]c3c2)c1 ZINC000562509892 1128406108 /nfs/dbraw/zinc/40/61/08/1128406108.db2.gz UXBSTEISDAGDHL-UHFFFAOYSA-N 0 1 272.739 3.532 20 0 CHADMN Cc1cc(Cl)cc(CNc2ccc3n[nH]nc3c2)c1 ZINC000562509892 1128406109 /nfs/dbraw/zinc/40/61/09/1128406109.db2.gz UXBSTEISDAGDHL-UHFFFAOYSA-N 0 1 272.739 3.532 20 0 CHADMN CC(C)[C@@H]1CCC[C@H]1NCc1noc(-c2cccs2)n1 ZINC000562520724 1128408045 /nfs/dbraw/zinc/40/80/45/1128408045.db2.gz PBHVRFNHNZKRBI-NWDGAFQWSA-N 0 1 291.420 3.712 20 0 CHADMN Cc1nc(C)c(CN(Cc2ccccn2)CC(C)C)s1 ZINC000932446914 1128409825 /nfs/dbraw/zinc/40/98/25/1128409825.db2.gz WRIQMDPZJOPMMU-UHFFFAOYSA-N 0 1 289.448 3.813 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)Nc1ccc2c(c1)CCCC2 ZINC000562559701 1128411255 /nfs/dbraw/zinc/41/12/55/1128411255.db2.gz JGUCBKKFGHASSL-UHFFFAOYSA-N 0 1 283.375 3.664 20 0 CHADMN Cc1cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)ccc1F ZINC000562576516 1128411712 /nfs/dbraw/zinc/41/17/12/1128411712.db2.gz JGSWUGQNENAXPH-NSHDSACASA-N 0 1 257.299 3.611 20 0 CHADMN Cc1cc(CN2CCC(F)(F)[C@@H](C)C2)ccc1F ZINC000562576516 1128411715 /nfs/dbraw/zinc/41/17/15/1128411715.db2.gz JGSWUGQNENAXPH-NSHDSACASA-N 0 1 257.299 3.611 20 0 CHADMN CC1(C)CCCN(Cc2cccc(O)c2Cl)C1 ZINC000328282036 1128420343 /nfs/dbraw/zinc/42/03/43/1128420343.db2.gz ZCCBFFKIWIKXEA-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN CC1(C)C[C@H](c2ccccc2)CN1Cc1nnc(C2CC2)o1 ZINC000932900524 1128426200 /nfs/dbraw/zinc/42/62/00/1128426200.db2.gz BCHTWRLWTDEFLB-HNNXBMFYSA-N 0 1 297.402 3.715 20 0 CHADMN CC(=O)c1cc(CN2C[C@@H](c3ccccc3)CC2(C)C)on1 ZINC000932906816 1128426811 /nfs/dbraw/zinc/42/68/11/1128426811.db2.gz XOUNWQSIAAOZLZ-HNNXBMFYSA-N 0 1 298.386 3.645 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc(F)c1O ZINC000932920810 1128427051 /nfs/dbraw/zinc/42/70/51/1128427051.db2.gz GCHICTOWODTJON-TZMCWYRMSA-N 0 1 299.345 3.550 20 0 CHADMN CCC(C)(C)N(C)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000933148803 1128431233 /nfs/dbraw/zinc/43/12/33/1128431233.db2.gz DOHTYLFRPIMLHV-UHFFFAOYSA-N 0 1 295.333 3.761 20 0 CHADMN c1ccc2c(c1)ccnc2CNCc1ccc2c(c1)COC2 ZINC000763411858 1128433231 /nfs/dbraw/zinc/43/32/31/1128433231.db2.gz WKUWQCUJRJELID-UHFFFAOYSA-N 0 1 290.366 3.555 20 0 CHADMN C[N@@H+](Cc1cccc(=O)[nH]1)[C@@H]1CCc2cc(Cl)ccc21 ZINC000933400883 1128434667 /nfs/dbraw/zinc/43/46/67/1128434667.db2.gz BKCYRTKZUCRKRN-OAHLLOKOSA-N 0 1 288.778 3.560 20 0 CHADMN CN(Cc1cccc(=O)[nH]1)[C@@H]1CCc2cc(Cl)ccc21 ZINC000933400883 1128434670 /nfs/dbraw/zinc/43/46/70/1128434670.db2.gz BKCYRTKZUCRKRN-OAHLLOKOSA-N 0 1 288.778 3.560 20 0 CHADMN C[N@H+](Cc1cccc(C(C)(C)C)c1)Cc1cccc(=O)[nH]1 ZINC000933402359 1128434920 /nfs/dbraw/zinc/43/49/20/1128434920.db2.gz YASULEHFDKRHLH-UHFFFAOYSA-N 0 1 284.403 3.717 20 0 CHADMN CN(Cc1cccc(C(C)(C)C)c1)Cc1cccc(=O)[nH]1 ZINC000933402359 1128434923 /nfs/dbraw/zinc/43/49/23/1128434923.db2.gz YASULEHFDKRHLH-UHFFFAOYSA-N 0 1 284.403 3.717 20 0 CHADMN NC1(c2noc(/C=C\C3CCCCC3)n2)CCCCC1 ZINC000562969610 1128444409 /nfs/dbraw/zinc/44/44/09/1128444409.db2.gz POCHUUHPTIKBHZ-KTKRTIGZSA-N 0 1 275.396 3.781 20 0 CHADMN CC(C)(C)n1cc(-c2nc3ccc(Cl)cc3[nH]2)cn1 ZINC000123834028 1128440776 /nfs/dbraw/zinc/44/07/76/1128440776.db2.gz IIRVYYUCAZQFPM-UHFFFAOYSA-N 0 1 274.755 3.835 20 0 CHADMN COc1cccc(F)c1-c1c(F)cc(F)c(O)c1F ZINC001235995795 1128445069 /nfs/dbraw/zinc/44/50/69/1128445069.db2.gz QBEWVYHQFALKJI-UHFFFAOYSA-N 0 1 272.197 3.624 20 0 CHADMN C[C@@]1(CN(Cc2ccoc2)C2CC2)CC1(Cl)Cl ZINC000934004276 1128449571 /nfs/dbraw/zinc/44/95/71/1128449571.db2.gz MZAPIMOKDLLXTD-LBPRGKRZSA-N 0 1 274.191 3.828 20 0 CHADMN Cc1ccc(CN2CCCSC[C@@H]2C2CC2)c(Cl)n1 ZINC000933911123 1128446713 /nfs/dbraw/zinc/44/67/13/1128446713.db2.gz ALCNFCHJISXXAX-CQSZACIVSA-N 0 1 296.867 3.761 20 0 CHADMN c1sc(C2CC2)nc1CN1CCCSC[C@H]1C1CC1 ZINC000933916249 1128447284 /nfs/dbraw/zinc/44/72/84/1128447284.db2.gz WWARHCSHMCMWJO-AWEZNQCLSA-N 0 1 294.489 3.738 20 0 CHADMN CCOC(=O)c1ccc(-c2c(F)cc(F)c(O)c2F)cc1 ZINC001235996668 1128449121 /nfs/dbraw/zinc/44/91/21/1128449121.db2.gz WZUNUGCALVCCMC-UHFFFAOYSA-N 0 1 296.244 3.653 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2occc2C)cc1 ZINC000125825978 1128455040 /nfs/dbraw/zinc/45/50/40/1128455040.db2.gz DQFQEFCGNBABNL-ZDUSSCGKSA-N 0 1 259.349 3.790 20 0 CHADMN CCC[C@@](C)(NCc1nccs1)c1ccccc1 ZINC000934182107 1128454116 /nfs/dbraw/zinc/45/41/16/1128454116.db2.gz IMXLTAFCFWXSTA-OAHLLOKOSA-N 0 1 260.406 3.948 20 0 CHADMN CCCCC1(N[C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000934206802 1128454814 /nfs/dbraw/zinc/45/48/14/1128454814.db2.gz DTIOODGUJMZURU-GFCCVEGCSA-N 0 1 285.391 3.709 20 0 CHADMN c1ccc([C@@H](CC2CCCC2)NCc2cnccn2)cc1 ZINC000563111549 1128450052 /nfs/dbraw/zinc/45/00/52/1128450052.db2.gz QIRJMENVDICUFB-GOSISDBHSA-N 0 1 281.403 3.888 20 0 CHADMN Cc1cc(F)ccc1CN(C)Cc1ccc2c(n1)CCC2 ZINC000563117865 1128450380 /nfs/dbraw/zinc/45/03/80/1128450380.db2.gz OAEBXKFRCGTMMF-UHFFFAOYSA-N 0 1 284.378 3.650 20 0 CHADMN CC[C@@H]1CCN([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000125662564 1128451448 /nfs/dbraw/zinc/45/14/48/1128451448.db2.gz BQCBGNJIWOAMTR-WDEREUQCSA-N 0 1 277.393 3.591 20 0 CHADMN C[C@H](Cc1cccnc1)NCc1csc(C(C)(C)C)n1 ZINC000934237801 1128455894 /nfs/dbraw/zinc/45/58/94/1128455894.db2.gz DNQLBHHDVCZNMP-GFCCVEGCSA-N 0 1 289.448 3.556 20 0 CHADMN C[C@H](Cc1cccnc1)NCc1nc(Cl)ccc1Cl ZINC000934235446 1128456002 /nfs/dbraw/zinc/45/60/02/1128456002.db2.gz WFYWSCXYWHMQOX-SNVBAGLBSA-N 0 1 296.201 3.504 20 0 CHADMN C[C@@H]1CSCCC[N@H+]1Cc1cnc(-c2ccccc2)o1 ZINC000934296397 1128456820 /nfs/dbraw/zinc/45/68/20/1128456820.db2.gz GMQDDTBLETXRKS-CYBMUJFWSA-N 0 1 288.416 3.669 20 0 CHADMN FCCC1C[C@H]2CC[C@@H](C1)N2Cc1ncc(C2CC2)o1 ZINC000934456232 1128460548 /nfs/dbraw/zinc/46/05/48/1128460548.db2.gz OCROAQLJBXPLIC-QXMXGUDHSA-N 0 1 278.371 3.655 20 0 CHADMN c1ccc(CCN2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000126401263 1128463082 /nfs/dbraw/zinc/46/30/82/1128463082.db2.gz CCHJMCRTSSRMBP-UHFFFAOYSA-N 0 1 276.383 3.769 20 0 CHADMN Fc1cc(CN[C@@H](c2ccncc2)C2CC2)cnc1Cl ZINC000934696124 1128466630 /nfs/dbraw/zinc/46/66/30/1128466630.db2.gz CZHCNLQWIJCOGV-CQSZACIVSA-N 0 1 291.757 3.510 20 0 CHADMN C[C@H](c1ccccc1F)N(C)CCOC(C)(C)C ZINC000065950828 1128469050 /nfs/dbraw/zinc/46/90/50/1128469050.db2.gz UMIMBLGNNJTZIZ-GFCCVEGCSA-N 0 1 253.361 3.634 20 0 CHADMN C[C@@H]1CCN(Cc2nnc(C(C)(C)C)o2)[C@@H]2CCCC[C@H]12 ZINC000917053138 1128470401 /nfs/dbraw/zinc/47/04/01/1128470401.db2.gz NRJHZYLTCHGRTA-MGPQQGTHSA-N 0 1 291.439 3.768 20 0 CHADMN CCCCOC(=O)CCN(C)[C@@H](C)c1cc(F)ccc1F ZINC000917064276 1128472908 /nfs/dbraw/zinc/47/29/08/1128472908.db2.gz MHHOOJXIJFSUIR-LBPRGKRZSA-N 0 1 299.361 3.691 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](c2ccccc2F)[C@@H](C)O)s1 ZINC000563816337 1128480421 /nfs/dbraw/zinc/48/04/21/1128480421.db2.gz KORCHDBAKWVDLM-HWWQOWPSSA-N 0 1 293.407 3.968 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN2CCC[C@@H]2c2ccc[nH]2)o1 ZINC000127397311 1128477047 /nfs/dbraw/zinc/47/70/47/1128477047.db2.gz OLQRQFAOOYZNMK-OAHLLOKOSA-N 0 1 296.374 3.643 20 0 CHADMN Cc1ccc2[nH]c(-c3nc([C@@H](N)CC(C)C)no3)cc2c1 ZINC000563886453 1128483679 /nfs/dbraw/zinc/48/36/79/1128483679.db2.gz YDCSFCDIKSLZGV-LBPRGKRZSA-N 0 1 284.363 3.572 20 0 CHADMN CSc1cccc(NC(=O)[C@@H]2CCCN2C(C)C)c1C ZINC000935241124 1128483782 /nfs/dbraw/zinc/48/37/82/1128483782.db2.gz CQGUHELIDQWNMF-AWEZNQCLSA-N 0 1 292.448 3.528 20 0 CHADMN CC(C)(C)OCCSc1nnc(CCC2CCCC2)[nH]1 ZINC000067653647 1128486547 /nfs/dbraw/zinc/48/65/47/1128486547.db2.gz FPICAFZRDACQAG-UHFFFAOYSA-N 0 1 297.468 3.835 20 0 CHADMN CC(C)(C)OCCSc1nc(CCC2CCCC2)n[nH]1 ZINC000067653647 1128486549 /nfs/dbraw/zinc/48/65/49/1128486549.db2.gz FPICAFZRDACQAG-UHFFFAOYSA-N 0 1 297.468 3.835 20 0 CHADMN CCCCc1nc2ccc(NC(=O)c3ccoc3)cc2[nH]1 ZINC000067656058 1128486759 /nfs/dbraw/zinc/48/67/59/1128486759.db2.gz IJXZIDNCTBTGTG-UHFFFAOYSA-N 0 1 283.331 3.751 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)Cc1n[nH]c2ccccc21 ZINC000128313525 1128491606 /nfs/dbraw/zinc/49/16/06/1128491606.db2.gz QUXBSVLPIPVYSV-UHFFFAOYSA-N 0 1 299.761 3.706 20 0 CHADMN O=C(OCc1ccc(F)c(F)c1)c1ccc(O)c(Cl)c1 ZINC000917226428 1128491643 /nfs/dbraw/zinc/49/16/43/1128491643.db2.gz YMAMLKWOECRSOI-UHFFFAOYSA-N 0 1 298.672 3.681 20 0 CHADMN Cc1cc(Cl)ccc1N1N=C2CCCCC[C@@H]2C1=O ZINC000917346092 1128494930 /nfs/dbraw/zinc/49/49/30/1128494930.db2.gz ZZOULMGVNGHHFQ-LBPRGKRZSA-N 0 1 276.767 3.931 20 0 CHADMN Cc1cc(Cl)ccc1-n1[nH]c2c(c1=O)CCCCC2 ZINC000917346092 1128494932 /nfs/dbraw/zinc/49/49/32/1128494932.db2.gz ZZOULMGVNGHHFQ-LBPRGKRZSA-N 0 1 276.767 3.931 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000564218391 1128498820 /nfs/dbraw/zinc/49/88/20/1128498820.db2.gz VPMWZNDOZPNHFZ-CYBMUJFWSA-N 0 1 293.407 3.941 20 0 CHADMN Cn1ccnc1[C@H](N[C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000564251552 1128500715 /nfs/dbraw/zinc/50/07/15/1128500715.db2.gz ZXHWCVJZMJWCPC-HZPDHXFCSA-N 0 1 283.419 3.678 20 0 CHADMN c1cc(CN2CCCCC[C@@H]2c2ccncc2)sn1 ZINC000637829157 1129231426 /nfs/dbraw/zinc/23/14/26/1129231426.db2.gz IYDNZVBQLAOPLR-OAHLLOKOSA-N 0 1 273.405 3.655 20 0 CHADMN Cc1ccc(C[N@H+](CCCCCC(=O)[O-])C(C)C)s1 ZINC000564661579 1128513158 /nfs/dbraw/zinc/51/31/58/1128513158.db2.gz QWPGQBUMIZXBDU-UHFFFAOYSA-N 0 1 283.437 3.912 20 0 CHADMN CC[N@H+](Cc1cc(C(=O)[O-])ccc1Cl)CC(C)C ZINC000565101967 1128520007 /nfs/dbraw/zinc/52/00/07/1128520007.db2.gz BOQGIJXVUZTYBG-UHFFFAOYSA-N 0 1 269.772 3.516 20 0 CHADMN CC(C)[N@H+](Cc1ccc(F)cc1C(=O)[O-])CC1CCC1 ZINC000565104322 1128520175 /nfs/dbraw/zinc/52/01/75/1128520175.db2.gz KBRLLIXSOIWLDX-UHFFFAOYSA-N 0 1 279.355 3.534 20 0 CHADMN Cc1nsc(C)c1CNC1(c2ccc(F)cc2)CC1 ZINC000565154947 1128520687 /nfs/dbraw/zinc/52/06/87/1128520687.db2.gz CGYGEFHDZMRYIL-UHFFFAOYSA-N 0 1 276.380 3.678 20 0 CHADMN Cc1noc([C@H](C)[N@@H+](C)C[C@@H]2CCCC(C)(C)C2)n1 ZINC000565230382 1128522194 /nfs/dbraw/zinc/52/21/94/1128522194.db2.gz RCGNEYMEEAEREP-WCQYABFASA-N 0 1 265.401 3.587 20 0 CHADMN Cc1noc([C@H](C)N(C)C[C@@H]2CCCC(C)(C)C2)n1 ZINC000565230382 1128522195 /nfs/dbraw/zinc/52/21/95/1128522195.db2.gz RCGNEYMEEAEREP-WCQYABFASA-N 0 1 265.401 3.587 20 0 CHADMN Cc1ccc([C@H](C)[N@@H+](C)Cc2ncccc2O)c(C)c1 ZINC000565272600 1128522926 /nfs/dbraw/zinc/52/29/26/1128522926.db2.gz WMGGDDLHLDCTSY-AWEZNQCLSA-N 0 1 270.376 3.597 20 0 CHADMN Cc1ccccc1-c1noc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000923758468 1128524829 /nfs/dbraw/zinc/52/48/29/1128524829.db2.gz YVQCNLHLKJSPPL-AWEZNQCLSA-N 0 1 271.364 3.590 20 0 CHADMN Cc1ccccc1-c1noc([C@@H]2CCCN2C(C)C)n1 ZINC000923758468 1128524833 /nfs/dbraw/zinc/52/48/33/1128524833.db2.gz YVQCNLHLKJSPPL-AWEZNQCLSA-N 0 1 271.364 3.590 20 0 CHADMN O=C([O-])CCC[N@H+]1CCCCC[C@H]1/C=C/c1cccs1 ZINC000565443101 1128526921 /nfs/dbraw/zinc/52/69/21/1128526921.db2.gz HXMMMACRSCBGDG-HBWSCVEGSA-N 0 1 293.432 3.871 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000565898254 1128534173 /nfs/dbraw/zinc/53/41/73/1128534173.db2.gz OPRYDIJJEKWGEP-SNVBAGLBSA-N 0 1 291.322 3.618 20 0 CHADMN C[C@@H](CC1CCCCC1)CN1CCOC[C@H]1CC(F)F ZINC000565956536 1128535900 /nfs/dbraw/zinc/53/59/00/1128535900.db2.gz COTDIYLVFMFXDU-DZGCQCFKSA-N 0 1 289.410 3.949 20 0 CHADMN CC[C@H](Cc1ccccc1)c1nc([C@H](N)CC(C)C)no1 ZINC000566216469 1128539845 /nfs/dbraw/zinc/53/98/45/1128539845.db2.gz ZOUICIIEWMWWRS-HUUCEWRRSA-N 0 1 287.407 3.852 20 0 CHADMN CCCCCC[C@H](C)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000918321460 1128542203 /nfs/dbraw/zinc/54/22/03/1128542203.db2.gz RDXDAPCPWZHEPO-NSHDSACASA-N 0 1 291.370 3.791 20 0 CHADMN C[C@@H]1C[C@H](CCNc2noc3ccc(Cl)cc32)CCO1 ZINC000566396627 1128543484 /nfs/dbraw/zinc/54/34/84/1128543484.db2.gz MGUOTXHVLYBMLQ-GHMZBOCLSA-N 0 1 294.782 3.520 20 0 CHADMN CC(C)(C)[C@@H]1CCC[C@@H]1N[C@H](c1nc[nH]n1)c1ccccc1 ZINC000566725049 1128550732 /nfs/dbraw/zinc/55/07/32/1128550732.db2.gz KSCNMYAWHCUXHC-PMPSAXMXSA-N 0 1 298.434 3.699 20 0 CHADMN CC/C=C\CCOC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000918509721 1128551905 /nfs/dbraw/zinc/55/19/05/1128551905.db2.gz PGBXBAWXPGBTMN-PLNGDYQASA-N 0 1 284.359 3.898 20 0 CHADMN CC[C@@H]1CC[C@H]1N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000566941699 1128554165 /nfs/dbraw/zinc/55/41/65/1128554165.db2.gz QOKWYWODBAFAKX-YRGRVCCFSA-N 0 1 277.412 3.957 20 0 CHADMN C[C@H]1CC[N@@H+](CCCCCC(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000567055255 1128556730 /nfs/dbraw/zinc/55/67/30/1128556730.db2.gz ULNVBYIGBRVFFC-GUYCJALGSA-N 0 1 293.382 3.854 20 0 CHADMN CC[C@@H](C)N(C)Cc1ccc(OC)cc1Br ZINC000564292949 1128503073 /nfs/dbraw/zinc/50/30/73/1128503073.db2.gz XKJBTQNBWOQPDD-SNVBAGLBSA-N 0 1 286.213 3.688 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000567359061 1128563097 /nfs/dbraw/zinc/56/30/97/1128563097.db2.gz IBXIRYUJRCTWRA-LBPRGKRZSA-N 0 1 290.190 3.679 20 0 CHADMN C[C@H](N[C@@H](c1ccc(F)cc1)C(C)(C)C)c1nccn1C ZINC000070444686 1128564055 /nfs/dbraw/zinc/56/40/55/1128564055.db2.gz YFFSDWZTJDGYAT-WFASDCNBSA-N 0 1 289.398 3.997 20 0 CHADMN COC(=O)[C@H](C)N(CC[C@@H](C)c1ccccc1)C1CCC1 ZINC000567438421 1128564464 /nfs/dbraw/zinc/56/44/64/1128564464.db2.gz OMPZBWPQELIPIH-CABCVRRESA-N 0 1 289.419 3.596 20 0 CHADMN c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2OC2CC2)nc1 ZINC000556226375 1128565036 /nfs/dbraw/zinc/56/50/36/1128565036.db2.gz IUJKYMXFQPFCSI-GOSISDBHSA-N 0 1 294.398 3.960 20 0 CHADMN c1ccc([C@H]2CCCN2Cc2ccccc2OC2CC2)nc1 ZINC000556226375 1128565037 /nfs/dbraw/zinc/56/50/37/1128565037.db2.gz IUJKYMXFQPFCSI-GOSISDBHSA-N 0 1 294.398 3.960 20 0 CHADMN CCn1cc(CN(Cc2ccc(Cl)cc2)C2CC2)cn1 ZINC000130104698 1128565957 /nfs/dbraw/zinc/56/59/57/1128565957.db2.gz URCIPCUVWIQFBR-UHFFFAOYSA-N 0 1 289.810 3.721 20 0 CHADMN CCN(Cc1cnc(C2CCCCC2)s1)[C@H]1CCOC1 ZINC000567533893 1128567503 /nfs/dbraw/zinc/56/75/03/1128567503.db2.gz MZXNCULEUZSXGF-AWEZNQCLSA-N 0 1 294.464 3.802 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@@H]1CCC[C@@H]1F)CCS2 ZINC000569992605 1128613463 /nfs/dbraw/zinc/61/34/63/1128613463.db2.gz ZBPHMWCCNQXSNG-RWMBFGLXSA-N 0 1 269.360 3.843 20 0 CHADMN C[C@H](N[C@H]1CCC[C@H]1F)c1ccc(F)cc1OC(F)F ZINC000556259197 1128569613 /nfs/dbraw/zinc/56/96/13/1128569613.db2.gz GUIKXPJQXLCDBI-AXTRIDKLSA-N 0 1 291.288 3.968 20 0 CHADMN C/C=C/c1ccc(NC(=O)Cc2n[nH]c3ccccc32)cc1 ZINC000567642119 1128569711 /nfs/dbraw/zinc/56/97/11/1128569711.db2.gz SUILDWBYZXELOU-GORDUTHDSA-N 0 1 291.354 3.777 20 0 CHADMN CC[C@H](C)[C@H]([NH2+]Cc1c[nH]cn1)c1ccc(Cl)cc1 ZINC000556665311 1128613630 /nfs/dbraw/zinc/61/36/30/1128613630.db2.gz AICITVHKLXXGOT-NHYWBVRUSA-N 0 1 277.799 3.940 20 0 CHADMN FC(F)COCCSc1nc2ccc(Cl)cc2[nH]1 ZINC000556275418 1128573478 /nfs/dbraw/zinc/57/34/78/1128573478.db2.gz XKTUFIUWTOAICB-UHFFFAOYSA-N 0 1 292.738 3.590 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000568107774 1128578024 /nfs/dbraw/zinc/57/80/24/1128578024.db2.gz YHERSLCVSQVBOZ-DZGCQCFKSA-N 0 1 299.418 3.984 20 0 CHADMN C[C@@H](c1ncccn1)N1CCC(C)(c2ccccc2)CC1 ZINC000930081692 1128614181 /nfs/dbraw/zinc/61/41/81/1128614181.db2.gz FHVQDIXIRUBYBB-HNNXBMFYSA-N 0 1 281.403 3.591 20 0 CHADMN c1cc2cc(CNCc3ccc4c(n3)CCCC4)ccc2[nH]1 ZINC000568236385 1128580227 /nfs/dbraw/zinc/58/02/27/1128580227.db2.gz JJMGXKJYWVVKNM-UHFFFAOYSA-N 0 1 291.398 3.732 20 0 CHADMN CCCN(CC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000070980223 1128581903 /nfs/dbraw/zinc/58/19/03/1128581903.db2.gz LQMUEAFFBRLDLE-UHFFFAOYSA-N 0 1 289.206 3.664 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000568281622 1128582203 /nfs/dbraw/zinc/58/22/03/1128582203.db2.gz UPJIVFGGTNIGAO-CHWSQXEVSA-N 0 1 291.391 3.551 20 0 CHADMN CCCOc1cccc(Cn2c(C)nc3c2CCCC3)c1 ZINC000568416404 1128584576 /nfs/dbraw/zinc/58/45/76/1128584576.db2.gz WLHWQDYWLUJPTA-UHFFFAOYSA-N 0 1 284.403 3.907 20 0 CHADMN CN(Cc1cnc(C2CCCC2)s1)[C@H]1CCSC1 ZINC000130518809 1128584972 /nfs/dbraw/zinc/58/49/72/1128584972.db2.gz BHVRYSOABMMQHK-LBPRGKRZSA-N 0 1 282.478 3.738 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@](C)(CCC)C1 ZINC000568521345 1128586456 /nfs/dbraw/zinc/58/64/56/1128586456.db2.gz WNIMCUIRVJJQBI-DZGCQCFKSA-N 0 1 255.402 3.532 20 0 CHADMN Cc1cccnc1CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000071339581 1128587742 /nfs/dbraw/zinc/58/77/42/1128587742.db2.gz CIKAZJUUFZOJAS-GFCCVEGCSA-N 0 1 292.329 3.842 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C)s2)cc1F ZINC000194819887 1128589917 /nfs/dbraw/zinc/58/99/17/1128589917.db2.gz QJBXRZJADROEPK-UHFFFAOYSA-N 0 1 279.380 3.836 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1cccc(F)c1)CO2 ZINC000130744428 1128593086 /nfs/dbraw/zinc/59/30/86/1128593086.db2.gz CIOOHRHYVHZOTP-LRDDRELGSA-N 0 1 271.335 3.918 20 0 CHADMN CCC(CC)CN(C)Cc1nc(-c2cccs2)no1 ZINC000568918224 1128594352 /nfs/dbraw/zinc/59/43/52/1128594352.db2.gz WHCQNDKQIICBCP-UHFFFAOYSA-N 0 1 279.409 3.666 20 0 CHADMN CCC1(N[C@@H](CCc2ccccc2)C(F)F)CCOCC1 ZINC000498651726 1128597115 /nfs/dbraw/zinc/59/71/15/1128597115.db2.gz BHOMHNRLNNMDPS-HNNXBMFYSA-N 0 1 297.389 3.802 20 0 CHADMN C[C@H](CNCc1cc(C2CC2)no1)Sc1ccccc1 ZINC000638704639 1128597965 /nfs/dbraw/zinc/59/79/65/1128597965.db2.gz LDXNGOPBJUREGW-GFCCVEGCSA-N 0 1 288.416 3.822 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000569092547 1128598167 /nfs/dbraw/zinc/59/81/67/1128598167.db2.gz IKHJKWBHALSDSS-ZDUSSCGKSA-N 0 1 295.810 3.644 20 0 CHADMN CC(C)N(Cc1ccno1)[C@@H](C)c1ccsc1 ZINC000570074426 1128615604 /nfs/dbraw/zinc/61/56/04/1128615604.db2.gz WFJVJNRACKJCKE-NSHDSACASA-N 0 1 250.367 3.708 20 0 CHADMN CC1(C)CCC[C@H](NCc2noc(-c3cccs3)n2)C1 ZINC000569188101 1128601208 /nfs/dbraw/zinc/60/12/08/1128601208.db2.gz LXOHKRSVJHFIMM-NSHDSACASA-N 0 1 291.420 3.857 20 0 CHADMN CC[C@H](C(=O)O[C@@H](C(C)(C)C)C(F)(F)F)N(CC)CC ZINC000778690464 1128601613 /nfs/dbraw/zinc/60/16/13/1128601613.db2.gz QZLUYMQCJDPFSJ-PWSUYJOCSA-N 0 1 297.361 3.627 20 0 CHADMN CC(C)(C)c1cc(CN2CCC[C@@H]2C(C)(C)C)no1 ZINC000569275878 1128602693 /nfs/dbraw/zinc/60/26/93/1128602693.db2.gz OPRPUGSQXWATLX-CYBMUJFWSA-N 0 1 264.413 3.983 20 0 CHADMN CCCOc1c(CN[C@@H]2CCC[C@@H]2F)cccc1OCC ZINC000569712727 1128608365 /nfs/dbraw/zinc/60/83/65/1128608365.db2.gz GTDIVCFSGUSRDD-LSDHHAIUSA-N 0 1 295.398 3.854 20 0 CHADMN Cc1n[nH]cc1CN[C@@H](C)c1c(C)oc2ccccc21 ZINC000925465683 1128609347 /nfs/dbraw/zinc/60/93/47/1128609347.db2.gz ZBIFOEULHDWQMH-NSHDSACASA-N 0 1 269.348 3.624 20 0 CHADMN C[N@H+](CCc1cccc2ccccc21)Cc1ncccc1[O-] ZINC000569855509 1128610869 /nfs/dbraw/zinc/61/08/69/1128610869.db2.gz BSUGCYVYJMUHDB-UHFFFAOYSA-N 0 1 292.382 3.615 20 0 CHADMN C[N@@H+](CCc1cccc2ccccc21)Cc1ncccc1[O-] ZINC000569855509 1128610871 /nfs/dbraw/zinc/61/08/71/1128610871.db2.gz BSUGCYVYJMUHDB-UHFFFAOYSA-N 0 1 292.382 3.615 20 0 CHADMN CCC(C)(C)c1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000570177937 1128617949 /nfs/dbraw/zinc/61/79/49/1128617949.db2.gz NCCHJFGQNYEAGW-UHFFFAOYSA-N 0 1 289.419 3.813 20 0 CHADMN COc1ccc(CN2CCCc3ccccc3C2)cc1F ZINC000498921266 1128620425 /nfs/dbraw/zinc/62/04/25/1128620425.db2.gz BQFIUAQSEORWBG-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN Cc1ccc(C[C@H]2CCC[N@@H+](CCCCC(=O)[O-])C2)cc1 ZINC000570546248 1128625740 /nfs/dbraw/zinc/62/57/40/1128625740.db2.gz CJLSXPUZADLWAW-QGZVFWFLSA-N 0 1 289.419 3.504 20 0 CHADMN O=C([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000570638086 1128627944 /nfs/dbraw/zinc/62/79/44/1128627944.db2.gz KLFLLQIWDUHXHP-XHDPSFHLSA-N 0 1 293.794 3.803 20 0 CHADMN Cc1cc(C)cc(CN[C@@H](c2ccccc2F)[C@@H](C)O)c1 ZINC000570688796 1128629613 /nfs/dbraw/zinc/62/96/13/1128629613.db2.gz DDKZBURBSXTMBY-RDTXWAMCSA-N 0 1 287.378 3.654 20 0 CHADMN c1csc(CC[N@H+]2CCOC3(C2)CCCCCC3)c1 ZINC000763443913 1128632223 /nfs/dbraw/zinc/63/22/23/1128632223.db2.gz FXVJQFMWSRVILZ-UHFFFAOYSA-N 0 1 279.449 3.716 20 0 CHADMN CN(Cc1cccs1)Cc1ccc(F)c(F)c1 ZINC000072802621 1128632658 /nfs/dbraw/zinc/63/26/58/1128632658.db2.gz JMZZTXJTHIPOKF-UHFFFAOYSA-N 0 1 253.317 3.658 20 0 CHADMN C[C@@H](N[C@@H](C)CCc1ccc(F)cc1F)c1ccon1 ZINC000556891918 1128637008 /nfs/dbraw/zinc/63/70/08/1128637008.db2.gz HJMXLSMDBQGALU-WDEREUQCSA-N 0 1 280.318 3.625 20 0 CHADMN C[N@@H+](Cc1ccccc1C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000571932099 1128640530 /nfs/dbraw/zinc/64/05/30/1128640530.db2.gz ZRNUBSUJXBGWQX-QGZVFWFLSA-N 0 1 281.355 3.504 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@H](C)CC3)n[nH]2)cc1 ZINC000499110680 1128650606 /nfs/dbraw/zinc/65/06/06/1128650606.db2.gz OLHHGCHPRQRYME-ZDUSSCGKSA-N 0 1 297.402 3.647 20 0 CHADMN CCc1cccc(CNCc2ccc(OC)cc2OC)c1 ZINC000572608073 1128646362 /nfs/dbraw/zinc/64/63/62/1128646362.db2.gz SYPKRYFIBFTZFY-UHFFFAOYSA-N 0 1 285.387 3.556 20 0 CHADMN C[C@@H]1CN(C(=O)c2cnc(-c3ccccc3)[nH]2)CC(C)(C)C1 ZINC000499154247 1128656006 /nfs/dbraw/zinc/65/60/06/1128656006.db2.gz IWCFDEPINUNOHV-ZDUSSCGKSA-N 0 1 297.402 3.585 20 0 CHADMN Cc1ccccc1C[C@@H](C)N(C)Cc1ccn(C(C)C)n1 ZINC000573669182 1128657083 /nfs/dbraw/zinc/65/70/83/1128657083.db2.gz IACUIOKTIOGUPB-MRXNPFEDSA-N 0 1 285.435 3.835 20 0 CHADMN CCc1ccc(CN2CCC[C@H]2c2cccc(OC)c2)nc1 ZINC000557002809 1128657292 /nfs/dbraw/zinc/65/72/92/1128657292.db2.gz CBNYWSISBQOJSO-IBGZPJMESA-N 0 1 296.414 3.990 20 0 CHADMN CCc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000573855568 1128659227 /nfs/dbraw/zinc/65/92/27/1128659227.db2.gz MTMNZTSFKDYSPH-LBPRGKRZSA-N 0 1 287.359 3.733 20 0 CHADMN CN(Cc1cccc(Cl)c1Cl)C[C@@H](O)C(C)(C)C ZINC000573955795 1128660435 /nfs/dbraw/zinc/66/04/35/1128660435.db2.gz KNZNDWYCRAPFTG-GFCCVEGCSA-N 0 1 290.234 3.832 20 0 CHADMN COc1cccc(F)c1CN1CCCC2(CCC2)C1 ZINC001138387004 1128666003 /nfs/dbraw/zinc/66/60/03/1128666003.db2.gz USGUBHKCBRUUPT-UHFFFAOYSA-N 0 1 263.356 3.600 20 0 CHADMN CC/C=C(/C)C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000158327075 1128666799 /nfs/dbraw/zinc/66/67/99/1128666799.db2.gz SCMTZMVPXFNYMV-AUWJEWJLSA-N 0 1 286.419 3.953 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000574165293 1128662368 /nfs/dbraw/zinc/66/23/68/1128662368.db2.gz TUQBJKGOGJUGBL-RHSMWYFYSA-N 0 1 289.419 3.828 20 0 CHADMN CC(C)C[C@@H](C)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000557047752 1128663851 /nfs/dbraw/zinc/66/38/51/1128663851.db2.gz DVVAXJCLDAKWJV-CZUORRHYSA-N 0 1 265.372 3.634 20 0 CHADMN C[C@H](N[C@@H](C)c1ccnc(Cl)c1)c1cccnc1 ZINC000158530712 1128668632 /nfs/dbraw/zinc/66/86/32/1128668632.db2.gz QDDRZSUVCLUYPT-QWRGUYRKSA-N 0 1 261.756 3.542 20 0 CHADMN Cc1noc([C@H](C)N2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000600718921 1128679913 /nfs/dbraw/zinc/67/99/13/1128679913.db2.gz PSKQMFZOFZCDCA-GXFFZTMASA-N 0 1 291.782 3.582 20 0 CHADMN O=C(CN1CCCC2(CCCCC2)C1)Nc1ccccc1 ZINC000600744683 1128679978 /nfs/dbraw/zinc/67/99/78/1128679978.db2.gz ARCLMBAGALGRGM-UHFFFAOYSA-N 0 1 286.419 3.671 20 0 CHADMN Cc1cc(CN[C@H](c2cc3ccccc3o2)C(C)C)[nH]n1 ZINC000600810273 1128682552 /nfs/dbraw/zinc/68/25/52/1128682552.db2.gz CHRJTCJQLPGXSH-KRWDZBQOSA-N 0 1 283.375 3.951 20 0 CHADMN CC(C)(C)c1n[nH]cc1CNc1cc2c(cn1)CCCC2 ZINC000577807591 1128690390 /nfs/dbraw/zinc/69/03/90/1128690390.db2.gz NXIHIICVBDYXCM-UHFFFAOYSA-N 0 1 284.407 3.593 20 0 CHADMN CC(C)C[C@H](C)C[C@H](C)NCc1nccnc1Cl ZINC001258050879 1128696210 /nfs/dbraw/zinc/69/62/10/1128696210.db2.gz HFFGUHCJNVSTMH-RYUDHWBXSA-N 0 1 269.820 3.680 20 0 CHADMN Cc1cc(CN2CC=C(C(F)(F)F)CC2)cc(C)c1O ZINC000577900818 1128697462 /nfs/dbraw/zinc/69/74/62/1128697462.db2.gz PQNDAZGFOIDADO-UHFFFAOYSA-N 0 1 285.309 3.703 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1ccccn1 ZINC000282139330 1128699844 /nfs/dbraw/zinc/69/98/44/1128699844.db2.gz WBRKZHDDFGKSJP-GFCCVEGCSA-N 0 1 258.390 3.654 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(F)c(OC)c(F)c2)C1 ZINC001138425486 1128700165 /nfs/dbraw/zinc/70/01/65/1128700165.db2.gz VBFHKEYFYOWTHI-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN CCc1ccc([C@@H](COC)N[C@@H]2C[C@@H]2c2ccccc2)o1 ZINC000411516661 1128700462 /nfs/dbraw/zinc/70/04/62/1128700462.db2.gz KINJTLUKQCWRTC-BRWVUGGUSA-N 0 1 285.387 3.675 20 0 CHADMN COc1ccccc1[C@H](C)NCc1ccc2c(c1)C[C@@H](C)O2 ZINC000921487441 1128709747 /nfs/dbraw/zinc/70/97/47/1128709747.db2.gz LYGVBRITHJYWFC-KGLIPLIRSA-N 0 1 297.398 3.869 20 0 CHADMN CC(C)C[C@@H](C)C[C@@H](C)NCc1ncc(Cl)cn1 ZINC001258056509 1128714390 /nfs/dbraw/zinc/71/43/90/1128714390.db2.gz PVPJPUZMHLNBEW-VXGBXAGGSA-N 0 1 269.820 3.680 20 0 CHADMN Fc1cccc(CN2CC[C@H]3CCC[C@H]32)c1Br ZINC000378717004 1128715893 /nfs/dbraw/zinc/71/58/93/1128715893.db2.gz ALMRFYSZGNQATA-ZWNOBZJWSA-N 0 1 298.199 3.963 20 0 CHADMN CCCN(Cc1ncc(CSC)s1)C(C)C ZINC000578379508 1128716165 /nfs/dbraw/zinc/71/61/65/1128716165.db2.gz BGNKPPHBDBEJSS-UHFFFAOYSA-N 0 1 258.456 3.627 20 0 CHADMN CC(C)c1cc(C(=O)N2CC[C@@H](C(C)(C)C)C[C@@H]2C)n[nH]1 ZINC000578546141 1128721021 /nfs/dbraw/zinc/72/10/21/1128721021.db2.gz RRUYCXZYNASWBG-QWHCGFSZSA-N 0 1 291.439 3.820 20 0 CHADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000578660690 1128725304 /nfs/dbraw/zinc/72/53/04/1128725304.db2.gz QZNOCSVSDXDDCQ-XCRHUMRWSA-N 0 1 287.403 3.633 20 0 CHADMN CC[N@@H+](CCc1ccccc1)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000578874717 1128731831 /nfs/dbraw/zinc/73/18/31/1128731831.db2.gz DJLDBZYOKUKQFO-ZDUSSCGKSA-N 0 1 287.359 3.603 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@H]2CCCc3cn[nH]c32)cs1 ZINC000274492997 1117745144 /nfs/dbraw/zinc/74/51/44/1117745144.db2.gz SXUYVYCJNSUIEO-PWSUYJOCSA-N 0 1 290.436 3.718 20 0 CHADMN C[C@H](Cc1ccsc1)N1CCO[C@H](c2ccccc2)C1 ZINC000578932460 1128733475 /nfs/dbraw/zinc/73/34/75/1128733475.db2.gz PSTRDBWVVYECSO-PBHICJAKSA-N 0 1 287.428 3.753 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)o1 ZINC000430139960 1117755119 /nfs/dbraw/zinc/75/51/19/1117755119.db2.gz MISLZDWIBNMXKY-KMFMINBZSA-N 0 1 289.419 3.652 20 0 CHADMN Cc1cncc([C@H](C)NCc2ccc(F)c(F)c2)c1 ZINC000274563381 1117756791 /nfs/dbraw/zinc/75/67/91/1117756791.db2.gz GLKMGYIWDATNCL-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN Cc1nc(-c2cc(F)c(O)cc2F)nc2ccccc12 ZINC001206755022 1117757674 /nfs/dbraw/zinc/75/76/74/1117757674.db2.gz CRGIIVTZGQEZDT-UHFFFAOYSA-N 0 1 272.254 3.589 20 0 CHADMN CCN(CC(=O)N1CC[C@H](CC(C)(C)C)C1(C)C)C1CC1 ZINC000622709395 1117758172 /nfs/dbraw/zinc/75/81/72/1117758172.db2.gz GNDDUPXEVCIHQB-CQSZACIVSA-N 0 1 294.483 3.534 20 0 CHADMN C[C@@H]([NH2+]Cc1ccoc1)c1cc(Br)ccc1[O-] ZINC000185106456 1117764619 /nfs/dbraw/zinc/76/46/19/1117764619.db2.gz JNOAXBZGKQMBIZ-SECBINFHSA-N 0 1 296.164 3.599 20 0 CHADMN CC(C)=CCCC1=CC[C@H](CN2CCN(C#N)CC2)CC1 ZINC001207937669 1117765844 /nfs/dbraw/zinc/76/58/44/1117765844.db2.gz NLJKAYKWJBENIB-SFHVURJKSA-N 0 1 287.451 3.558 20 0 CHADMN CC(C)N(C)Cc1ccc(F)c(Br)c1F ZINC001238081650 1117769920 /nfs/dbraw/zinc/76/99/20/1117769920.db2.gz RORDSOZIFFLJCG-UHFFFAOYSA-N 0 1 278.140 3.568 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H](C)c1cncc(C)c1 ZINC000274629607 1117776659 /nfs/dbraw/zinc/77/66/59/1117776659.db2.gz RCUZQCZICOOKDA-KGLIPLIRSA-N 0 1 270.376 3.810 20 0 CHADMN CCC[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000578995311 1128735349 /nfs/dbraw/zinc/73/53/49/1128735349.db2.gz HWBYWYFEKDUAIU-JTQLQIEISA-N 0 1 269.772 3.659 20 0 CHADMN CC(C)n1nccc1CN(C)C(C)(C)c1ccccc1 ZINC000671245718 1117785209 /nfs/dbraw/zinc/78/52/09/1117785209.db2.gz IBAOZABRLKRYKZ-UHFFFAOYSA-N 0 1 271.408 3.831 20 0 CHADMN CC1(F)CCN(Cc2cc(Cl)c(O)cc2F)CC1 ZINC001238143912 1117791619 /nfs/dbraw/zinc/79/16/19/1117791619.db2.gz QPPKDORQZUWQSP-UHFFFAOYSA-N 0 1 275.726 3.509 20 0 CHADMN Cc1ccccc1-c1noc(CN[C@@H]2CCCC2(C)C)n1 ZINC000683142560 1117793827 /nfs/dbraw/zinc/79/38/27/1117793827.db2.gz WJVQADCKGWPMBG-CQSZACIVSA-N 0 1 285.391 3.713 20 0 CHADMN Cc1nc(C[N@H+](C)[C@H](C)Cc2ccccc2C)oc1C ZINC000579793898 1117805889 /nfs/dbraw/zinc/80/58/89/1117805889.db2.gz HVGCKKYCWGACCF-CYBMUJFWSA-N 0 1 272.392 3.663 20 0 CHADMN Cc1nc(CN(C)[C@H](C)Cc2ccccc2C)oc1C ZINC000579793898 1117805892 /nfs/dbraw/zinc/80/58/92/1117805892.db2.gz HVGCKKYCWGACCF-CYBMUJFWSA-N 0 1 272.392 3.663 20 0 CHADMN Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cc2cccnc2o1 ZINC000579795407 1117806065 /nfs/dbraw/zinc/80/60/65/1117806065.db2.gz UBOBEORMJCAYRI-HNNXBMFYSA-N 0 1 296.374 3.505 20 0 CHADMN C[C@@H](c1ccccn1)N(C)C[C@@H]1CCC2(CCCC2)O1 ZINC000530463006 1117810225 /nfs/dbraw/zinc/81/02/25/1117810225.db2.gz RHXPPJKZJNIQDY-GJZGRUSLSA-N 0 1 274.408 3.566 20 0 CHADMN CCOc1ccc(CN2CCC3(CC3(F)F)CC2)cc1F ZINC000651952776 1117811329 /nfs/dbraw/zinc/81/13/29/1117811329.db2.gz BQEIZWNULWZXQC-UHFFFAOYSA-N 0 1 299.336 3.846 20 0 CHADMN C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000185327739 1117811816 /nfs/dbraw/zinc/81/18/16/1117811816.db2.gz NJZWDMLQTWVIHB-MEDUHNTESA-N 0 1 297.826 3.637 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1Cc1nnc(C(C)(C)C)o1 ZINC000072775459 1117814095 /nfs/dbraw/zinc/81/40/95/1117814095.db2.gz PMQZETYLFGDCSI-OLZOCXBDSA-N 0 1 279.428 3.768 20 0 CHADMN CCc1nn(C)cc1CN(C)C/C(C)=C\c1ccccc1 ZINC000683163426 1117818612 /nfs/dbraw/zinc/81/86/12/1117818612.db2.gz RUNDOLMWBVHHLW-PTNGSMBKSA-N 0 1 283.419 3.518 20 0 CHADMN CCc1ccc(CN(CC(C)C)C(=O)c2cc(C)[nH]n2)cc1 ZINC001627283738 1117818949 /nfs/dbraw/zinc/81/89/49/1117818949.db2.gz AACIMXIFPTUSNE-UHFFFAOYSA-N 0 1 299.418 3.579 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(C(F)(F)F)nc2)cc1F ZINC000623168605 1117821202 /nfs/dbraw/zinc/82/12/02/1117821202.db2.gz BKYZUHCLIOOKEG-UHFFFAOYSA-N 0 1 298.283 3.968 20 0 CHADMN CCC1CC(N[C@H](C)c2nc(-c3cccc(F)c3)no2)C1 ZINC000671307475 1117827373 /nfs/dbraw/zinc/82/73/73/1117827373.db2.gz NHUQVXOGVMDUNN-CDWSIMAYSA-N 0 1 289.354 3.715 20 0 CHADMN CN(Cc1nc2c(s1)CCC2)C(C)(C)c1ccccc1 ZINC000671309371 1117827754 /nfs/dbraw/zinc/82/77/54/1117827754.db2.gz XWWRESVNSVTIHH-UHFFFAOYSA-N 0 1 286.444 3.999 20 0 CHADMN CC[C@@H](NC(=O)C=CC1CCCC1)c1nc2ccccc2[nH]1 ZINC000843541434 1117829957 /nfs/dbraw/zinc/82/99/57/1117829957.db2.gz KJNDJBVMALZBNN-XMXAVACDSA-N 0 1 297.402 3.877 20 0 CHADMN CC(C)(C)c1n[nH]c(SC/C=C/c2ccccc2)n1 ZINC000623332077 1117832435 /nfs/dbraw/zinc/83/24/35/1117832435.db2.gz VPYUWZFQSBPHIQ-JXMROGBWSA-N 0 1 273.405 3.908 20 0 CHADMN CC(C)(C)c1nc(SC/C=C/c2ccccc2)n[nH]1 ZINC000623332077 1117832443 /nfs/dbraw/zinc/83/24/43/1117832443.db2.gz VPYUWZFQSBPHIQ-JXMROGBWSA-N 0 1 273.405 3.908 20 0 CHADMN Cc1cnc(CN[C@@H](C)c2cc(Cl)ccc2O)s1 ZINC000185568917 1117848714 /nfs/dbraw/zinc/84/87/14/1117848714.db2.gz BWLLUEZRMRZUMD-VIFPVBQESA-N 0 1 282.796 3.661 20 0 CHADMN CSC[C@H]1CCCN(Cc2ccc(Cl)o2)C1 ZINC000430196718 1117849234 /nfs/dbraw/zinc/84/92/34/1117849234.db2.gz SAPMEOBDBLNNHO-JTQLQIEISA-N 0 1 259.802 3.508 20 0 CHADMN Cc1ccc([C@@H](C)CCN(C)Cc2cncs2)o1 ZINC001208164679 1117851788 /nfs/dbraw/zinc/85/17/88/1117851788.db2.gz ATMJRJZDXVCIFM-NSHDSACASA-N 0 1 264.394 3.670 20 0 CHADMN c1sc(C2CC2)nc1CNc1cc2c(cn1)CCC2 ZINC000339556903 1117853980 /nfs/dbraw/zinc/85/39/80/1117853980.db2.gz YDINSVQBKIXUMY-UHFFFAOYSA-N 0 1 271.389 3.516 20 0 CHADMN CC(C)(C)c1nc(CNc2cc3c(cn2)CCC3)cs1 ZINC000339557516 1117854993 /nfs/dbraw/zinc/85/49/93/1117854993.db2.gz SOOLGJZQBPFSDP-UHFFFAOYSA-N 0 1 287.432 3.936 20 0 CHADMN CC(C)NC(=O)C[N@@H+](C)[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000623433361 1117856179 /nfs/dbraw/zinc/85/61/79/1117856179.db2.gz WIJBYCIKABSDBS-CQSZACIVSA-N 0 1 290.451 3.502 20 0 CHADMN CC(C)NC(=O)CN(C)[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000623433361 1117856182 /nfs/dbraw/zinc/85/61/82/1117856182.db2.gz WIJBYCIKABSDBS-CQSZACIVSA-N 0 1 290.451 3.502 20 0 CHADMN CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185614618 1117858257 /nfs/dbraw/zinc/85/82/57/1117858257.db2.gz HSVQPVWFHFRABM-STQMWFEESA-N 0 1 299.842 3.741 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc3[nH]c(=O)oc3c2)c(C)o1 ZINC000796816872 1117862527 /nfs/dbraw/zinc/86/25/27/1117862527.db2.gz MYKAOFIOJAYTLL-JTQLQIEISA-N 0 1 286.331 3.594 20 0 CHADMN CCO[C@H](CNCc1ccncc1Cl)c1ccccc1 ZINC000623508722 1117863501 /nfs/dbraw/zinc/86/35/01/1117863501.db2.gz GFSFFJGMIZFCMR-MRXNPFEDSA-N 0 1 290.794 3.602 20 0 CHADMN CC(C)[C@@H](C)N(C)Cc1cscc1Br ZINC000579173272 1128740316 /nfs/dbraw/zinc/74/03/16/1128740316.db2.gz KPRKECYSAFAKIV-SECBINFHSA-N 0 1 276.243 3.987 20 0 CHADMN COc1ccc(CNCc2ccccc2)c(OC(F)F)c1 ZINC000114758187 1117865674 /nfs/dbraw/zinc/86/56/74/1117865674.db2.gz JMXSRJUWJGILBO-UHFFFAOYSA-N 0 1 293.313 3.586 20 0 CHADMN CCCn1nccc1CNCc1ccccc1CC(C)C ZINC000623587220 1117876578 /nfs/dbraw/zinc/87/65/78/1117876578.db2.gz HWNHXIPUJQGEDF-UHFFFAOYSA-N 0 1 285.435 3.781 20 0 CHADMN CC(C)Cn1nccc1CN[C@H](c1ccccn1)C1CCC1 ZINC000623638536 1117879990 /nfs/dbraw/zinc/87/99/90/1117879990.db2.gz IUXXDVXMKIGPLM-SFHVURJKSA-N 0 1 298.434 3.565 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)[C@@H]1C ZINC000339580551 1117886635 /nfs/dbraw/zinc/88/66/35/1117886635.db2.gz ILPLLHYWZBQCPU-HUUCEWRRSA-N 0 1 282.387 3.501 20 0 CHADMN C[C@@H]1CN(Cc2cncc(OCc3ccccc3)c2)[C@@H]1C ZINC000339580551 1117886639 /nfs/dbraw/zinc/88/66/39/1117886639.db2.gz ILPLLHYWZBQCPU-HUUCEWRRSA-N 0 1 282.387 3.501 20 0 CHADMN CO[C@H](CSc1nc(C)c(-c2ccccc2)[nH]1)C1CC1 ZINC000579237459 1128741802 /nfs/dbraw/zinc/74/18/02/1128741802.db2.gz NVFMLVXSWZAHIP-CQSZACIVSA-N 0 1 288.416 3.902 20 0 CHADMN F[C@H]1CCC[C@@H]1NCc1cscc1C(F)(F)F ZINC000339585086 1117888465 /nfs/dbraw/zinc/88/84/65/1117888465.db2.gz SWVNMYIQCLBZFG-UWVGGRQHSA-N 0 1 267.291 3.747 20 0 CHADMN CCC(F)(F)CN[C@@H]1CC[C@H](c2ccccc2)C1 ZINC000623679124 1117889144 /nfs/dbraw/zinc/88/91/44/1117889144.db2.gz JHNWLIMNJIFHKL-UONOGXRCSA-N 0 1 253.336 3.958 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@H](C)c1ccoc1 ZINC000178468520 1117893417 /nfs/dbraw/zinc/89/34/17/1117893417.db2.gz GKZGDKQZBFGBRC-ABAIWWIYSA-N 0 1 257.333 3.626 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@@H]2c2cccc(C)n2)s1 ZINC000178672636 1117893946 /nfs/dbraw/zinc/89/39/46/1117893946.db2.gz WHIGWXNNEVSOEV-OAHLLOKOSA-N 0 1 287.432 3.800 20 0 CHADMN C[C@H](NC[C@@H]1CCCC[C@@H]1C)c1nc(C(C)(C)C)no1 ZINC000237555587 1128742265 /nfs/dbraw/zinc/74/22/65/1128742265.db2.gz UDPWXJIAAJMFMD-AVGNSLFASA-N 0 1 279.428 3.844 20 0 CHADMN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2c(C)nsc2C)C1 ZINC000579245941 1128742291 /nfs/dbraw/zinc/74/22/91/1128742291.db2.gz WJVYWVVBWSBDKZ-STQMWFEESA-N 0 1 284.494 3.866 20 0 CHADMN OC[C@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccsc1 ZINC000349401512 1117898100 /nfs/dbraw/zinc/89/81/00/1117898100.db2.gz DQBBFOYDWCOSHT-CVEARBPZSA-N 0 1 291.391 3.588 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)N1CCC(C(=O)OC)CC1 ZINC000126953763 1117900259 /nfs/dbraw/zinc/90/02/59/1117900259.db2.gz QOBQXUMUMCBEKS-HNNXBMFYSA-N 0 1 295.810 3.676 20 0 CHADMN C[C@H]1CC[C@H](C(=O)Nc2c(=O)[nH][nH]c2-c2ccccc2)CC1 ZINC000615281294 1128742691 /nfs/dbraw/zinc/74/26/91/1128742691.db2.gz OQXDSYDIPHAGNR-AULYBMBSSA-N 0 1 299.374 3.547 20 0 CHADMN C[C@@H](CCN1CCC(=O)C(C)(C)C1)CC(C)(C)C ZINC001208667099 1117906430 /nfs/dbraw/zinc/90/64/30/1117906430.db2.gz XNZLQMDQTSJGJO-ZDUSSCGKSA-N 0 1 253.430 3.750 20 0 CHADMN C[C@H](c1ccccn1)N(C)C/C=C\c1ccccc1 ZINC000350387494 1117908339 /nfs/dbraw/zinc/90/83/39/1117908339.db2.gz DVUWPSDLHXNVRW-MEODZPNASA-N 0 1 252.361 3.788 20 0 CHADMN C/C=C/CNCc1csc(-c2ccc(C)cc2)n1 ZINC000623739328 1117908417 /nfs/dbraw/zinc/90/84/17/1117908417.db2.gz RKGNNCXMTLFHDQ-ONEGZZNKSA-N 0 1 258.390 3.784 20 0 CHADMN Cc1cccc([C@H](N[C@@H](C)COC(C)C)c2ccccn2)c1 ZINC000375596056 1117909801 /nfs/dbraw/zinc/90/98/01/1117909801.db2.gz HBUYKFAILKQWDF-LPHOPBHVSA-N 0 1 298.430 3.883 20 0 CHADMN CN(Cc1nc2ccccc2o1)[C@@H]1CCc2ccccc21 ZINC000029486612 1117909849 /nfs/dbraw/zinc/90/98/49/1117909849.db2.gz QLLKAZNPAJPBHJ-MRXNPFEDSA-N 0 1 278.355 3.947 20 0 CHADMN C[C@@H]1CCC[C@@H]1CC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000615283461 1128743433 /nfs/dbraw/zinc/74/34/33/1128743433.db2.gz VTPJXCGHAFUATQ-DGCLKSJQSA-N 0 1 299.374 3.547 20 0 CHADMN c1cc(CN[C@H]2CSCc3ccccc32)cs1 ZINC000059639552 1117923447 /nfs/dbraw/zinc/92/34/47/1117923447.db2.gz KYXRWWAHJNSVQN-AWEZNQCLSA-N 0 1 261.415 3.826 20 0 CHADMN COc1ccc(C)cc1CN1CC[C@@H]1c1ccccc1 ZINC000471183301 1117931890 /nfs/dbraw/zinc/93/18/90/1117931890.db2.gz RDUCWMDFNKMYGV-QGZVFWFLSA-N 0 1 267.372 3.951 20 0 CHADMN Cc1cnccc1CNCc1csc(C(F)(F)F)c1 ZINC000623777357 1117933411 /nfs/dbraw/zinc/93/34/11/1117933411.db2.gz BCQDQXSYMNWWGF-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CCCCOCCN(CC)Cc1ccccc1Cl ZINC000615346192 1128745274 /nfs/dbraw/zinc/74/52/74/1128745274.db2.gz WSUSRWMQPITTDH-UHFFFAOYSA-N 0 1 269.816 3.979 20 0 CHADMN Clc1cccc(C2CCN(Cc3cccnn3)CC2)c1 ZINC001139969615 1117935346 /nfs/dbraw/zinc/93/53/46/1117935346.db2.gz BPMNUJOYVXTDBP-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN FC1(F)CCC[C@H](CN2CCCC[C@@H]2c2cc[nH]n2)C1 ZINC000510124602 1117938087 /nfs/dbraw/zinc/93/80/87/1117938087.db2.gz RJKIQRDDRHQNEU-GXTWGEPZSA-N 0 1 283.366 3.762 20 0 CHADMN FC(F)(F)Cc1ccccc1CNCc1cncs1 ZINC000623821570 1117941275 /nfs/dbraw/zinc/94/12/75/1117941275.db2.gz YPIRGZLBGQWMBO-UHFFFAOYSA-N 0 1 286.322 3.538 20 0 CHADMN Cc1nocc1CN[C@@H]1CCCc2ccc(Cl)cc21 ZINC000623832926 1117943949 /nfs/dbraw/zinc/94/39/49/1117943949.db2.gz LXDQAKWBSHYVDN-OAHLLOKOSA-N 0 1 276.767 3.804 20 0 CHADMN COc1cncc(CN2Cc3cc(C)ccc3CC2(C)C)c1 ZINC000339633970 1117944405 /nfs/dbraw/zinc/94/44/05/1117944405.db2.gz IXLBGGVAJVZMFL-UHFFFAOYSA-N 0 1 296.414 3.736 20 0 CHADMN CC[C@@H]1C[C@H](NC2(c3c(F)cccc3F)CCC2)CO1 ZINC000623844353 1117944931 /nfs/dbraw/zinc/94/49/31/1117944931.db2.gz RZISTQPHNQPOFI-NWDGAFQWSA-N 0 1 281.346 3.501 20 0 CHADMN Cc1ccsc1CN[C@@H]1CCCc2scnc21 ZINC000623875091 1117946940 /nfs/dbraw/zinc/94/69/40/1117946940.db2.gz XUBHAMNWWFLAAV-SNVBAGLBSA-N 0 1 264.419 3.680 20 0 CHADMN Cc1csc([C@H](C)NCCc2csc(C(C)C)n2)n1 ZINC000623883676 1117948337 /nfs/dbraw/zinc/94/83/37/1117948337.db2.gz JLYPQIZZTRNMPB-NSHDSACASA-N 0 1 295.477 3.925 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CCCc2scnc21 ZINC000623868964 1117948863 /nfs/dbraw/zinc/94/88/63/1117948863.db2.gz MAGXECSIIRJSDI-MCIONIFRSA-N 0 1 294.464 3.705 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCCN[C@@H]1CCCc2scnc21 ZINC000623868965 1117949025 /nfs/dbraw/zinc/94/90/25/1117949025.db2.gz MAGXECSIIRJSDI-MGPQQGTHSA-N 0 1 294.464 3.705 20 0 CHADMN Cc1csc([C@H](C)NC[C@H](C)Oc2cccc(C)c2)n1 ZINC000623899164 1117951312 /nfs/dbraw/zinc/95/13/12/1117951312.db2.gz AABKAPDDJREWJR-KBPBESRZSA-N 0 1 290.432 3.878 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccccn1)c1ccccc1OC ZINC000036995054 1117954564 /nfs/dbraw/zinc/95/45/64/1117954564.db2.gz RHHNJFHDPHKUKO-DZGCQCFKSA-N 0 1 270.376 3.892 20 0 CHADMN Cc1noc(C)c1[C@H](C)CN[C@H]1CCCc2scnc21 ZINC000623923723 1117957285 /nfs/dbraw/zinc/95/72/85/1117957285.db2.gz JMJMPTILPGHYDD-SKDRFNHKSA-N 0 1 291.420 3.519 20 0 CHADMN Cc1ccc([C@@H](C)N(C)C(=O)c2cc(C(C)C)[nH]n2)c(C)c1 ZINC000623952169 1117961320 /nfs/dbraw/zinc/96/13/20/1117961320.db2.gz XGYVEFKPSKHZBL-CQSZACIVSA-N 0 1 299.418 3.983 20 0 CHADMN CCO[C@H](CN[C@H](C)c1nc(C)cs1)c1ccccc1 ZINC000623971771 1117963964 /nfs/dbraw/zinc/96/39/64/1117963964.db2.gz GUILVEOJQLQWPN-UKRRQHHQSA-N 0 1 290.432 3.880 20 0 CHADMN c1cc(CCCN2CCOC[C@@H]2CC2CCC2)cs1 ZINC000339773076 1117973101 /nfs/dbraw/zinc/97/31/01/1117973101.db2.gz DCOIBWOPCIJACM-INIZCTEOSA-N 0 1 279.449 3.572 20 0 CHADMN COc1cc(C)nc(CN2CCc3ccccc3[C@H]2C)c1 ZINC000339820148 1117978847 /nfs/dbraw/zinc/97/88/47/1117978847.db2.gz OZRYKGXHVJIYNU-CQSZACIVSA-N 0 1 282.387 3.518 20 0 CHADMN CC1=C[C@H](C)C[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000430277324 1117983746 /nfs/dbraw/zinc/98/37/46/1117983746.db2.gz FYZMKSKNMDJESO-ZDUSSCGKSA-N 0 1 268.360 3.740 20 0 CHADMN c1cc2c(s1)CCN(CC1=Cc3ccccc3OC1)C2 ZINC000179887545 1117986349 /nfs/dbraw/zinc/98/63/49/1117986349.db2.gz VHJIJCCFRPPOMQ-UHFFFAOYSA-N 0 1 283.396 3.582 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@H+]([C@@H](C)c2cccc(Cl)c2)C1 ZINC000232792603 1117988383 /nfs/dbraw/zinc/98/83/83/1117988383.db2.gz SWZSSZGSXIFCAA-BLLLJJGKSA-N 0 1 295.810 3.834 20 0 CHADMN CCC(F)(F)CNC1CCC(OC2CCCC2)CC1 ZINC000624149135 1117989795 /nfs/dbraw/zinc/98/97/95/1117989795.db2.gz XFALLIFMXCITLF-UHFFFAOYSA-N 0 1 275.383 3.892 20 0 CHADMN C#CCCCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000186104227 1117994201 /nfs/dbraw/zinc/99/42/01/1117994201.db2.gz LMEZPNUWUDJMNL-LLVKDONJSA-N 0 1 296.208 3.609 20 0 CHADMN Cc1ccc(SCCN2CCO[C@H]3CCC[C@H]32)cc1C ZINC000430286376 1117996230 /nfs/dbraw/zinc/99/62/30/1117996230.db2.gz XRHMSHXTFAALRA-SJORKVTESA-N 0 1 291.460 3.649 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)N(C)C[C@H](O)C(F)(F)F ZINC000181322807 1117998660 /nfs/dbraw/zinc/99/86/60/1117998660.db2.gz GSNILNSASKUKDA-RYUDHWBXSA-N 0 1 295.732 3.646 20 0 CHADMN Cc1cc(C)cc(OCCCN2CCn3cccc3[C@H]2C)c1 ZINC000510154296 1118000738 /nfs/dbraw/zinc/00/07/38/1118000738.db2.gz IDFCNJQXCFMFRI-QGZVFWFLSA-N 0 1 298.430 3.951 20 0 CHADMN CN(C)c1cccc(CN[C@H]2CC(C)(C)c3ccccc32)n1 ZINC000181732880 1118005399 /nfs/dbraw/zinc/00/53/99/1118005399.db2.gz UZSSFPPNTBCGPM-KRWDZBQOSA-N 0 1 295.430 3.660 20 0 CHADMN C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1ccc2ccccc2c1 ZINC000016343145 1118010307 /nfs/dbraw/zinc/01/03/07/1118010307.db2.gz BDXGXNDOXJYMGZ-AWEZNQCLSA-N 0 1 298.430 3.575 20 0 CHADMN COc1cccc2cc([C@@H](C)NCc3cncc(C)c3)oc21 ZINC000182085866 1118014404 /nfs/dbraw/zinc/01/44/04/1118014404.db2.gz BUQUFZCBIUSLME-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN CCCCN(CCCO)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000182154115 1118015232 /nfs/dbraw/zinc/01/52/32/1118015232.db2.gz AJROMYOQUKMCPQ-ZDUSSCGKSA-N 0 1 282.428 3.518 20 0 CHADMN CC[C@@H]1CO[C@@](C)(CCC(C)C)N1CCCCOC ZINC001209218840 1118017121 /nfs/dbraw/zinc/01/71/21/1118017121.db2.gz PZQXNYGJKAKSOY-CVEARBPZSA-N 0 1 271.445 3.676 20 0 CHADMN Cc1cc(F)ccc1CN(Cc1cccnc1)C1CC1 ZINC000182268865 1118018621 /nfs/dbraw/zinc/01/86/21/1118018621.db2.gz QVUHQYILJMKEFH-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN COC(=O)c1oc(CN[C@H](C)c2ccc(C)cc2)cc1C ZINC000182338075 1118020406 /nfs/dbraw/zinc/02/04/06/1118020406.db2.gz GGJWPZUPXBRKKA-CYBMUJFWSA-N 0 1 287.359 3.534 20 0 CHADMN CN(CCCn1ccnc1)Cc1cccc(Cl)c1Cl ZINC000182662478 1118026496 /nfs/dbraw/zinc/02/64/96/1118026496.db2.gz PAIXJKFNCXQVCQ-UHFFFAOYSA-N 0 1 298.217 3.712 20 0 CHADMN C[C@@H]1CCC[C@@H]1CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000579508674 1128750734 /nfs/dbraw/zinc/75/07/34/1128750734.db2.gz AKXLUNMTLDLIPD-RKDXNWHRSA-N 0 1 285.746 3.950 20 0 CHADMN COc1ccc(Cl)cc1CN1CCCCC12CC2 ZINC001138482610 1128750983 /nfs/dbraw/zinc/75/09/83/1128750983.db2.gz IKCTWXYUXOUWCG-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN CCc1c2ccccc2oc1[C@H](C)NCc1ccc[nH]c1=O ZINC000624258440 1118031847 /nfs/dbraw/zinc/03/18/47/1118031847.db2.gz JUYRXKYQMGAQJA-LBPRGKRZSA-N 0 1 296.370 3.947 20 0 CHADMN CCC(C)(C)NC(=O)CN(C)[C@@H](C)c1ccc(C)cc1C ZINC000615463954 1128751164 /nfs/dbraw/zinc/75/11/64/1128751164.db2.gz OCICODDNCGWIJE-HNNXBMFYSA-N 0 1 290.451 3.601 20 0 CHADMN CC(C)c1cnc(CN2C[C@@H](C)CC[C@H]2C)s1 ZINC000183082777 1118036663 /nfs/dbraw/zinc/03/66/63/1118036663.db2.gz RTNHVFFYEYRECZ-NWDGAFQWSA-N 0 1 252.427 3.887 20 0 CHADMN Cc1cc(C)c(CNCc2cccc(C)n2)c(C)c1 ZINC000048329653 1118041282 /nfs/dbraw/zinc/04/12/82/1118041282.db2.gz GMZCCYKYFASRHY-UHFFFAOYSA-N 0 1 254.377 3.605 20 0 CHADMN COC[C@@H](NCc1csc(C2CCCCC2)n1)C1CC1 ZINC000183429365 1118044421 /nfs/dbraw/zinc/04/44/21/1118044421.db2.gz MFCHWYQOEKGNAL-OAHLLOKOSA-N 0 1 294.464 3.705 20 0 CHADMN COc1ccc([C@H](C)CN2CCn3cccc3[C@@H]2C)cc1 ZINC000183512248 1118046278 /nfs/dbraw/zinc/04/62/78/1118046278.db2.gz NZSBVQMNFCCDIJ-CABCVRRESA-N 0 1 284.403 3.677 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc(Cl)c2cccnc12 ZINC000183736854 1118048595 /nfs/dbraw/zinc/04/85/95/1118048595.db2.gz RGLFRUGAKBDXRE-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN CCC[C@H]1CCCCN1Cc1nnc(-c2ccccc2)n1C ZINC000185851852 1118050151 /nfs/dbraw/zinc/05/01/51/1118050151.db2.gz VSWOGPVVUSUOBN-INIZCTEOSA-N 0 1 298.434 3.637 20 0 CHADMN COc1cc(C)cc(F)c1CN(C)CC1CC(F)(F)C1 ZINC001238592331 1118051638 /nfs/dbraw/zinc/05/16/38/1118051638.db2.gz SQXCYRQDQZMAPT-UHFFFAOYSA-N 0 1 287.325 3.620 20 0 CHADMN CC(C)CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000072058528 1118054983 /nfs/dbraw/zinc/05/49/83/1118054983.db2.gz OJVTYHXTTYZYRU-UHFFFAOYSA-N 0 1 271.364 3.815 20 0 CHADMN CCc1nc([C@@H](C)NCCOc2cccc(F)c2)cs1 ZINC000184735986 1118056727 /nfs/dbraw/zinc/05/67/27/1118056727.db2.gz UIYBBBZJLNKNLG-LLVKDONJSA-N 0 1 294.395 3.574 20 0 CHADMN CCc1nc([C@@H](C)NCCOc2ccc(F)cc2)cs1 ZINC000184674465 1118056876 /nfs/dbraw/zinc/05/68/76/1118056876.db2.gz GJPDGGMTHJIIOD-LLVKDONJSA-N 0 1 294.395 3.574 20 0 CHADMN CCCC[C@H](N[C@H](C)c1nc(CC)no1)C1CCC1 ZINC000184874927 1118058261 /nfs/dbraw/zinc/05/82/61/1118058261.db2.gz ZEPCGZXCJJUDAT-YPMHNXCESA-N 0 1 265.401 3.642 20 0 CHADMN CCc1cccc(OCCN[C@H](C)c2ncc(C)s2)c1 ZINC000184990047 1118059270 /nfs/dbraw/zinc/05/92/70/1118059270.db2.gz GVRXBZGEXRUXEW-CYBMUJFWSA-N 0 1 290.432 3.744 20 0 CHADMN Cc1cnc([C@@H](C)NCCOc2cc(C)ccc2C)s1 ZINC000184991289 1118059649 /nfs/dbraw/zinc/05/96/49/1118059649.db2.gz IDHMPSPHTSNYBV-CQSZACIVSA-N 0 1 290.432 3.798 20 0 CHADMN Fc1ccc2nc(-c3cnc(-c4ccncc4)s3)[nH]c2c1 ZINC000340098444 1118059971 /nfs/dbraw/zinc/05/99/71/1118059971.db2.gz BTZRUMKRGMRGMF-UHFFFAOYSA-N 0 1 296.330 3.888 20 0 CHADMN C[C@H](NC1CCCC1)c1nc(C2CCCCC2)no1 ZINC000185246016 1118061334 /nfs/dbraw/zinc/06/13/34/1118061334.db2.gz DLHFGZYEUJGNIM-NSHDSACASA-N 0 1 263.385 3.711 20 0 CHADMN Fc1cccc(Cl)c1CNC[C@H]1Cc2ccccc2O1 ZINC000037986354 1118064375 /nfs/dbraw/zinc/06/43/75/1118064375.db2.gz IWNBNYXVPONEDR-GFCCVEGCSA-N 0 1 291.753 3.572 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000615521460 1128753566 /nfs/dbraw/zinc/75/35/66/1128753566.db2.gz AHIRSGIPYBTNMN-UHFFFAOYSA-N 0 1 299.374 3.546 20 0 CHADMN CCC(O)(CC)C(C)(C)CN[C@@H](C)c1csc(C)n1 ZINC000579615224 1128753605 /nfs/dbraw/zinc/75/36/05/1128753605.db2.gz BFGWZJYIBRPOAP-NSHDSACASA-N 0 1 284.469 3.679 20 0 CHADMN CSc1cc(C)cc(CN(C)Cc2ccncc2)c1 ZINC001238674048 1118070159 /nfs/dbraw/zinc/07/01/59/1118070159.db2.gz CEGXEPCCLAHXBI-UHFFFAOYSA-N 0 1 272.417 3.744 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000380459197 1118070416 /nfs/dbraw/zinc/07/04/16/1118070416.db2.gz RERKNLTWAKOQLC-QWHCGFSZSA-N 0 1 273.380 3.609 20 0 CHADMN CCS[C@H](C(=O)Nc1ccc2nc(C)[nH]c2c1)C(C)C ZINC000340116092 1118071066 /nfs/dbraw/zinc/07/10/66/1118071066.db2.gz YEKGKPUFQJTJOY-AWEZNQCLSA-N 0 1 291.420 3.588 20 0 CHADMN CCOC(=O)[C@@H]1CCCN([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000072014071 1118071322 /nfs/dbraw/zinc/07/13/22/1118071322.db2.gz WHCSWXWWSPUSFH-GXTWGEPZSA-N 0 1 295.810 3.676 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Cl)cc2)CCC1(F)F ZINC000579889120 1118076269 /nfs/dbraw/zinc/07/62/69/1118076269.db2.gz GEPFNRCRISMCTB-SNVBAGLBSA-N 0 1 259.727 3.817 20 0 CHADMN C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(Cl)c1[O-] ZINC000179683097 1128754200 /nfs/dbraw/zinc/75/42/00/1128754200.db2.gz KMMMVFXLKICQLD-UHFFFAOYSA-N 0 1 286.762 3.549 20 0 CHADMN CC1(CC(F)F)CN(Cc2cc3ccncc3s2)C1 ZINC000668274105 1118096209 /nfs/dbraw/zinc/09/62/09/1118096209.db2.gz UZGSECHEQXGHPI-UHFFFAOYSA-N 0 1 282.359 3.773 20 0 CHADMN CC[C@H]1CCCCN1Cc1cccnc1Br ZINC001137799114 1118097384 /nfs/dbraw/zinc/09/73/84/1118097384.db2.gz HMDCDVHHPRKMNZ-LBPRGKRZSA-N 0 1 283.213 3.609 20 0 CHADMN CCc1ccc(O)c(Nc2ccc3nc[nH]c3c2)c1 ZINC001209846611 1118098959 /nfs/dbraw/zinc/09/89/59/1118098959.db2.gz HQKIERRQGXNGHM-UHFFFAOYSA-N 0 1 253.305 3.575 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1Cc1ccc(Br)o1 ZINC000306944088 1118113486 /nfs/dbraw/zinc/11/34/86/1118113486.db2.gz JIARLWFBUJFDPS-ZJUUUORDSA-N 0 1 272.186 3.663 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@@H](C)c1ccco1)CCC2 ZINC000764630159 1118103282 /nfs/dbraw/zinc/10/32/82/1118103282.db2.gz XNYQOFWQYLKXBE-ONGXEEELSA-N 0 1 262.378 3.773 20 0 CHADMN C[N@@H+](CCCCCC(=O)[O-])C1CCC(C)(C)CC1 ZINC000094860011 1118152898 /nfs/dbraw/zinc/15/28/98/1118152898.db2.gz XFMDNHWYDIWDLN-UHFFFAOYSA-N 0 1 255.402 3.532 20 0 CHADMN FC(F)(F)CCN1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000120127868 1118115084 /nfs/dbraw/zinc/11/50/84/1118115084.db2.gz ZWOXLSUGAJQSCF-GFCCVEGCSA-N 0 1 293.716 3.746 20 0 CHADMN FC(F)(F)c1ccnc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC001140104400 1118118519 /nfs/dbraw/zinc/11/85/19/1118118519.db2.gz MZMQBGFLDIBCSK-TXEJJXNPSA-N 0 1 284.325 3.722 20 0 CHADMN CN(Cc1ccccc1)Cc1cccc(OC(C)(C)C)n1 ZINC000508891499 1118123332 /nfs/dbraw/zinc/12/33/32/1118123332.db2.gz UZRVAZHILRHLCU-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN CCCn1c(C)nnc1CN1CCC[C@H]1CC1CCCC1 ZINC000653893285 1118126725 /nfs/dbraw/zinc/12/67/25/1118126725.db2.gz YALUDFIYMNIFPW-INIZCTEOSA-N 0 1 290.455 3.541 20 0 CHADMN CC(C)[C@@H](NC[C@@H](O)C(F)(F)F)c1ccccc1Cl ZINC000120518000 1118130619 /nfs/dbraw/zinc/13/06/19/1118130619.db2.gz GRXHWUGYIALJGC-VXGBXAGGSA-N 0 1 295.732 3.550 20 0 CHADMN CC(C)c1cc(C(=O)N2CCC[C@H]2CC(C)(C)C)n[nH]1 ZINC000143920883 1118135892 /nfs/dbraw/zinc/13/58/92/1118135892.db2.gz ICHNMRCSSRQCEC-LBPRGKRZSA-N 0 1 277.412 3.574 20 0 CHADMN COc1ccsc1CNCc1ccc(OC)c(Cl)c1 ZINC000765278885 1118141673 /nfs/dbraw/zinc/14/16/73/1118141673.db2.gz CUTGDKZKZRDVNK-UHFFFAOYSA-N 0 1 297.807 3.709 20 0 CHADMN CCOC[C@@H]1CCCCN1Cc1nsc2ccccc21 ZINC000660777440 1118143608 /nfs/dbraw/zinc/14/36/08/1118143608.db2.gz QAEQXSZZWHTNDL-ZDUSSCGKSA-N 0 1 290.432 3.687 20 0 CHADMN OCCCCCC[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000175744126 1118154676 /nfs/dbraw/zinc/15/46/76/1118154676.db2.gz FQDIVXXSKQRPRR-UHFFFAOYSA-N 0 1 287.403 3.835 20 0 CHADMN Cc1n[nH]c(C)c1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000154884404 1118156264 /nfs/dbraw/zinc/15/62/64/1118156264.db2.gz CLEAWDUQYMLBAG-UHFFFAOYSA-N 0 1 297.324 3.677 20 0 CHADMN C[C@@H](c1cccc(O)c1)N(C)Cc1ccnc(Cl)c1 ZINC000171930118 1118159335 /nfs/dbraw/zinc/15/93/35/1118159335.db2.gz MQKROEKCMJGYKY-NSHDSACASA-N 0 1 276.767 3.634 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cc(C)cc(C)c3)cc2[nH]1 ZINC000010896063 1118159685 /nfs/dbraw/zinc/15/96/85/1118159685.db2.gz UIPYBVHVMUPTEV-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)s1 ZINC000166279887 1118161216 /nfs/dbraw/zinc/16/12/16/1118161216.db2.gz PWWPJOOWSBABRG-LBPRGKRZSA-N 0 1 295.448 3.732 20 0 CHADMN Cc1ccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)cc1 ZINC000014207318 1118164261 /nfs/dbraw/zinc/16/42/61/1118164261.db2.gz BNIJLKFFBVESJH-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN Cc1ccc2nc(SCCc3ccccn3)[nH]c2c1 ZINC000014079927 1118164295 /nfs/dbraw/zinc/16/42/95/1118164295.db2.gz RNTFMXKYPOJXSN-UHFFFAOYSA-N 0 1 269.373 3.601 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc(F)c(F)c(F)c1)c1cccnc1 ZINC000171983034 1118164952 /nfs/dbraw/zinc/16/49/52/1118164952.db2.gz UNCYNAZKERYLSG-ZJUUUORDSA-N 0 1 280.293 3.911 20 0 CHADMN Cc1cc(CN(Cc2ccc(F)cc2)CC2CC2)on1 ZINC000172010978 1118167863 /nfs/dbraw/zinc/16/78/63/1118167863.db2.gz MFKMNEVKNNIXOW-UHFFFAOYSA-N 0 1 274.339 3.534 20 0 CHADMN Cc1cc(F)cc([C@]2(F)CCN(CCC[C@H]3CCO3)C2)c1 ZINC000639139409 1118175522 /nfs/dbraw/zinc/17/55/22/1118175522.db2.gz NECSXAJFPUVRNB-IRXDYDNUSA-N 0 1 295.373 3.574 20 0 CHADMN c1cc2c(s1)CCN(Cc1cccc3cccnc31)C2 ZINC000022516661 1118176848 /nfs/dbraw/zinc/17/68/48/1118176848.db2.gz UEKGPHRDDQXLIH-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN Cc1nc(C)c(CN[C@H]2CCc3c2cc(F)cc3F)s1 ZINC000121454116 1118179777 /nfs/dbraw/zinc/17/97/77/1118179777.db2.gz NJXNDDAJLZVZCT-AWEZNQCLSA-N 0 1 294.370 3.815 20 0 CHADMN C[C@H](NCC1(C(F)(F)F)CCCC1)c1nccs1 ZINC000624272284 1118182899 /nfs/dbraw/zinc/18/28/99/1118182899.db2.gz AXPIXIYOMJEDAN-VIFPVBQESA-N 0 1 278.343 3.916 20 0 CHADMN CCOc1ccc([C@H](C)N[C@H](C)c2cncnc2C)cc1 ZINC000655695558 1118186791 /nfs/dbraw/zinc/18/67/91/1118186791.db2.gz MVRRMKMLEIEWEA-GXTWGEPZSA-N 0 1 285.391 3.596 20 0 CHADMN Cc1ncncc1[C@@H](C)NCc1ccccc1C(F)(F)F ZINC000655703525 1118189259 /nfs/dbraw/zinc/18/92/59/1118189259.db2.gz IBMNBTZHMOYCIE-SNVBAGLBSA-N 0 1 295.308 3.655 20 0 CHADMN CC(C)COC[C@H](N[C@H]1CC[C@H](C)SC1)c1ccco1 ZINC000655704770 1118189473 /nfs/dbraw/zinc/18/94/73/1118189473.db2.gz KHMMYSVVCWLESF-KKUMJFAQSA-N 0 1 297.464 3.867 20 0 CHADMN CC(C)COC[C@H](N[C@@H]1CC[C@@H](C)SC1)c1ccco1 ZINC000655704769 1118189486 /nfs/dbraw/zinc/18/94/86/1118189486.db2.gz KHMMYSVVCWLESF-KFWWJZLASA-N 0 1 297.464 3.867 20 0 CHADMN CCCOc1ccc(CNCc2ccnn2C2CCC2)cc1 ZINC000921547154 1118189633 /nfs/dbraw/zinc/18/96/33/1118189633.db2.gz IKCPOKHDOUNZNH-UHFFFAOYSA-N 0 1 299.418 3.687 20 0 CHADMN CC(C)c1ccccc1OCCN[C@H]1CCCn2ccnc21 ZINC000655727301 1118195424 /nfs/dbraw/zinc/19/54/24/1118195424.db2.gz MGPBALFCUBYVDS-INIZCTEOSA-N 0 1 299.418 3.510 20 0 CHADMN CC(C)[C@@H](N[C@H]1CC[C@@H](C)SC1)c1nc(C2CC2)no1 ZINC000655730216 1118195955 /nfs/dbraw/zinc/19/59/55/1118195955.db2.gz NBZCAOHHBGXVIB-KGYLQXTDSA-N 0 1 295.452 3.518 20 0 CHADMN CC(C)[C@@H](N[C@@H]1CC[C@@H](C)SC1)c1nc(C2CC2)no1 ZINC000655730217 1118195979 /nfs/dbraw/zinc/19/59/79/1118195979.db2.gz NBZCAOHHBGXVIB-RAIGVLPGSA-N 0 1 295.452 3.518 20 0 CHADMN Cc1cc2c(c(C)c1)[C@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)CC2 ZINC000655736416 1118198196 /nfs/dbraw/zinc/19/81/96/1118198196.db2.gz GSMJTCAVLXFYAB-DZGCQCFKSA-N 0 1 298.434 3.883 20 0 CHADMN COc1cccc([C@@H](C)NCc2cnn(CC3CCC3)c2)c1 ZINC000921564628 1118199135 /nfs/dbraw/zinc/19/91/35/1118199135.db2.gz RRKUVKNSBYSSKD-CQSZACIVSA-N 0 1 299.418 3.543 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000399383188 1118202234 /nfs/dbraw/zinc/20/22/34/1118202234.db2.gz JRUUVCCKSQCAID-GHMZBOCLSA-N 0 1 267.369 3.653 20 0 CHADMN CC(C)Oc1ccccc1CNCc1cnn(C2CCC2)c1 ZINC000921580918 1118202269 /nfs/dbraw/zinc/20/22/69/1118202269.db2.gz XSEONRUAKIVMNJ-UHFFFAOYSA-N 0 1 299.418 3.685 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2NCc1cccc2c1OCC2 ZINC000921613150 1118206166 /nfs/dbraw/zinc/20/61/66/1118206166.db2.gz GGRGQKGUYWELAJ-QGZVFWFLSA-N 0 1 283.346 3.538 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1cccc2c1OCC2 ZINC000921612680 1118206253 /nfs/dbraw/zinc/20/62/53/1118206253.db2.gz CQHSSPUKHRWUQF-QGZVFWFLSA-N 0 1 283.346 3.538 20 0 CHADMN C[C@H](NCc1cccc2c1OCC2)c1cccc(F)c1 ZINC000693111665 1118207651 /nfs/dbraw/zinc/20/76/51/1118207651.db2.gz GWVAVCXZYKPIRV-LBPRGKRZSA-N 0 1 271.335 3.611 20 0 CHADMN COC(=O)c1oc(CN2CCC[C@H]2c2ccccc2)cc1C ZINC000025934908 1118208375 /nfs/dbraw/zinc/20/83/75/1118208375.db2.gz QGBIHJLXWSNERJ-INIZCTEOSA-N 0 1 299.370 3.712 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2CCc3cc(C)cc(C)c32)o1 ZINC000655771028 1118208436 /nfs/dbraw/zinc/20/84/36/1118208436.db2.gz XWRIWSCIZWJTRR-OAHLLOKOSA-N 0 1 284.403 3.939 20 0 CHADMN O=C(NCc1ccc2nc[nH]c2c1)C1CC2(C1)CCCCC2 ZINC000615795061 1128762922 /nfs/dbraw/zinc/76/29/22/1128762922.db2.gz WTJSOHKIXBDRLJ-UHFFFAOYSA-N 0 1 297.402 3.540 20 0 CHADMN CCCN(CCC)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000027270289 1118210721 /nfs/dbraw/zinc/21/07/21/1118210721.db2.gz CGUGAOPLRAZNEV-UHFFFAOYSA-N 0 1 293.798 3.611 20 0 CHADMN c1c(CSc2nc(C3CC3)n[nH]2)onc1-c1ccccc1 ZINC000029073455 1118214218 /nfs/dbraw/zinc/21/42/18/1118214218.db2.gz KNJLJOGUWKJETN-UHFFFAOYSA-N 0 1 298.371 3.629 20 0 CHADMN c1c(CSc2n[nH]c(C3CC3)n2)onc1-c1ccccc1 ZINC000029073455 1118214219 /nfs/dbraw/zinc/21/42/19/1118214219.db2.gz KNJLJOGUWKJETN-UHFFFAOYSA-N 0 1 298.371 3.629 20 0 CHADMN Cc1n[nH]cc1CNC1(c2ccc(Cl)cc2)CCC1 ZINC000051188679 1118216638 /nfs/dbraw/zinc/21/66/38/1118216638.db2.gz ZGPUWCKPLSRAMD-UHFFFAOYSA-N 0 1 275.783 3.541 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1cccc(C)c1OC ZINC000655812479 1118220335 /nfs/dbraw/zinc/22/03/35/1118220335.db2.gz PSKLAFOQUVLLED-GFCCVEGCSA-N 0 1 291.416 3.925 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1cccc(C)c1OC)CC2 ZINC000655810103 1118221055 /nfs/dbraw/zinc/22/10/55/1118221055.db2.gz HPUWVCXQRYQADL-GOSISDBHSA-N 0 1 297.398 3.789 20 0 CHADMN CCN(Cc1nccn1Cc1ccccc1)C1CCCC1 ZINC000077024621 1118221154 /nfs/dbraw/zinc/22/11/54/1118221154.db2.gz LOXOTHFMVBKCMS-UHFFFAOYSA-N 0 1 283.419 3.696 20 0 CHADMN CCC1CCC([N@@H+](C)Cc2cc(C(=O)[O-])oc2C)CC1 ZINC000051361587 1118221331 /nfs/dbraw/zinc/22/13/31/1118221331.db2.gz FQHZXTXEFWEQEK-UHFFFAOYSA-N 0 1 279.380 3.687 20 0 CHADMN COc1c(C)cccc1CN[C@H](c1cccnc1)C(C)C ZINC000655813378 1118221366 /nfs/dbraw/zinc/22/13/66/1118221366.db2.gz WUCAYWPDNBLTSB-KRWDZBQOSA-N 0 1 284.403 3.886 20 0 CHADMN COc1c(C)cccc1CNCc1cnc(C2CC2)s1 ZINC000655832892 1118227426 /nfs/dbraw/zinc/22/74/26/1118227426.db2.gz CCELMLLQEQFWOB-UHFFFAOYSA-N 0 1 288.416 3.627 20 0 CHADMN COc1ccc(-c2cnc(CN3CCCC[C@@H]3C)o2)cc1 ZINC000041362516 1118230111 /nfs/dbraw/zinc/23/01/11/1118230111.db2.gz CJSSPTAYBHPJSZ-ZDUSSCGKSA-N 0 1 286.375 3.725 20 0 CHADMN c1c2ccccc2[nH]c1CNCc1nccc2c1CCCC2 ZINC000921624457 1118235084 /nfs/dbraw/zinc/23/50/84/1118235084.db2.gz RVOKQPMECCNLPL-UHFFFAOYSA-N 0 1 291.398 3.732 20 0 CHADMN CC[C@H](N[C@H](C)c1nc(C)sc1C)[C@@H]1CCCCO1 ZINC000655848682 1118238025 /nfs/dbraw/zinc/23/80/25/1118238025.db2.gz JRPDDJQWWUIVIC-SWHYSGLUSA-N 0 1 282.453 3.758 20 0 CHADMN O=C([O-])[C@H](CC[N@H+]1CCC[C@H]1c1ccco1)c1ccccc1 ZINC000579961895 1118246314 /nfs/dbraw/zinc/24/63/14/1118246314.db2.gz QTSAJKUQODZCTF-CVEARBPZSA-N 0 1 299.370 3.675 20 0 CHADMN CCc1noc(C)c1CN[C@H](CC)c1cccs1 ZINC000340438580 1118246934 /nfs/dbraw/zinc/24/69/34/1118246934.db2.gz BTHOKUVGDIYMKL-CYBMUJFWSA-N 0 1 264.394 3.848 20 0 CHADMN Cc1ccc(-c2nc(CN3CCC(C)CC3)co2)cc1 ZINC000043563650 1118247300 /nfs/dbraw/zinc/24/73/00/1118247300.db2.gz DHSBPTVYGKGEOY-UHFFFAOYSA-N 0 1 270.376 3.882 20 0 CHADMN C=Cc1ccc(CNc2ccnc(NC(=O)CC)c2)cc1 ZINC001168576193 1118247675 /nfs/dbraw/zinc/24/76/75/1118247675.db2.gz VCPYFDHSQMQFRX-UHFFFAOYSA-N 0 1 281.359 3.685 20 0 CHADMN CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000186174479 1118250284 /nfs/dbraw/zinc/25/02/84/1118250284.db2.gz SSEBHZSCTIYZRB-ABAIWWIYSA-N 0 1 299.842 3.739 20 0 CHADMN Cc1ccc(CN2CCN(C)c3ccccc3C2)cc1F ZINC001167310776 1118250884 /nfs/dbraw/zinc/25/08/84/1118250884.db2.gz ZRPXKWHHLKFSNQ-UHFFFAOYSA-N 0 1 284.378 3.586 20 0 CHADMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000409445180 1118253783 /nfs/dbraw/zinc/25/37/83/1118253783.db2.gz JYRFMITZKPLJJV-NWDGAFQWSA-N 0 1 250.386 3.593 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1ncc(C(C)(C)C)o1 ZINC000409445180 1118253787 /nfs/dbraw/zinc/25/37/87/1118253787.db2.gz JYRFMITZKPLJJV-NWDGAFQWSA-N 0 1 250.386 3.593 20 0 CHADMN CC(C)CCC1CCN(Cc2ccc(F)nc2)CC1 ZINC000779163904 1128765690 /nfs/dbraw/zinc/76/56/90/1128765690.db2.gz HOCRPYIACUNHHJ-UHFFFAOYSA-N 0 1 264.388 3.869 20 0 CHADMN Fc1ccc2nc(-c3cccc(-c4ccccn4)n3)[nH]c2c1 ZINC000147937370 1118255081 /nfs/dbraw/zinc/25/50/81/1118255081.db2.gz IIPUKPQADVGNFH-UHFFFAOYSA-N 0 1 290.301 3.826 20 0 CHADMN COc1cc([C@H](C)N[C@@H](C)c2ccccc2N(C)C)ccn1 ZINC000348637506 1118268219 /nfs/dbraw/zinc/26/82/19/1118268219.db2.gz CNXNVXMUAAZUAS-KBPBESRZSA-N 0 1 299.418 3.568 20 0 CHADMN Cc1cc(F)c(CNCCOc2cccc(F)c2)c(F)c1 ZINC001648876436 1118269085 /nfs/dbraw/zinc/26/90/85/1118269085.db2.gz KMPVGTJBJNVREQ-UHFFFAOYSA-N 0 1 295.304 3.581 20 0 CHADMN Cc1nocc1CN1Cc2cc(C)ccc2CC1(C)C ZINC000354431452 1118272068 /nfs/dbraw/zinc/27/20/68/1118272068.db2.gz NMRNMJAREFQNMY-UHFFFAOYSA-N 0 1 270.376 3.628 20 0 CHADMN CC(C)Cc1noc(CN[C@@H]2CCCC[C@H]2C(C)(C)C)n1 ZINC000107507664 1118281926 /nfs/dbraw/zinc/28/19/26/1118281926.db2.gz CXYISJONPWGTHT-ZIAGYGMSSA-N 0 1 293.455 3.963 20 0 CHADMN Cc1cc(CN[C@@H]2C[C@@H](C(C)C)c3ccccc32)ncn1 ZINC000683692497 1118288340 /nfs/dbraw/zinc/28/83/40/1118288340.db2.gz SZIBNTIJOLBFSE-ZWKOTPCHSA-N 0 1 281.403 3.759 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cscn2)[C@@H]2CCCC[C@@H]12 ZINC000058518179 1118289628 /nfs/dbraw/zinc/28/96/28/1118289628.db2.gz JMRSWVYVFSQQCS-KWCYVHTRSA-N 0 1 250.411 3.544 20 0 CHADMN CCN(Cc1ccoc1)Cc1ccc(C)c(OC)c1 ZINC000683698753 1118292957 /nfs/dbraw/zinc/29/29/57/1118292957.db2.gz DSKNLXWBWLBLGU-UHFFFAOYSA-N 0 1 259.349 3.619 20 0 CHADMN Cc1ccc(C)c(CSc2nc(-c3cccnc3)n[nH]2)c1 ZINC000060530802 1118299550 /nfs/dbraw/zinc/29/95/50/1118299550.db2.gz ZLFJIDKIWKBBDS-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN CC(F)(F)c1ccc(CNCc2ccns2)cc1 ZINC000639208080 1118302087 /nfs/dbraw/zinc/30/20/87/1118302087.db2.gz WVOFGJWQLMHIFM-UHFFFAOYSA-N 0 1 268.332 3.545 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C(=O)C3CCCC3)[nH]c2c1 ZINC000061234477 1118305685 /nfs/dbraw/zinc/30/56/85/1118305685.db2.gz GSSQGTGVVSXMBI-MRXNPFEDSA-N 0 1 297.402 3.725 20 0 CHADMN CC[C@H](C)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000061230886 1118305701 /nfs/dbraw/zinc/30/57/01/1118305701.db2.gz CVBMPOOIFSENQP-WFASDCNBSA-N 0 1 285.391 3.581 20 0 CHADMN CCO[C@@H]1C[C@@H](NCc2c(F)cc(F)cc2F)C12CCC2 ZINC000340499768 1118307472 /nfs/dbraw/zinc/30/74/72/1118307472.db2.gz REKTUWPZXGOWMW-HUUCEWRRSA-N 0 1 299.336 3.541 20 0 CHADMN CCO[C@H]1C[C@H](NCc2c(F)cc(F)cc2F)C12CCC2 ZINC000340499767 1118307561 /nfs/dbraw/zinc/30/75/61/1118307561.db2.gz REKTUWPZXGOWMW-GJZGRUSLSA-N 0 1 299.336 3.541 20 0 CHADMN CCC[C@@]1(CO)CCC[N@H+]1Cc1cscc1Cl ZINC000683722713 1118310681 /nfs/dbraw/zinc/31/06/81/1118310681.db2.gz VOYRYKLXFMGEKQ-ZDUSSCGKSA-N 0 1 273.829 3.529 20 0 CHADMN CCC1(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)CC1 ZINC000340510306 1118312993 /nfs/dbraw/zinc/31/29/93/1118312993.db2.gz VCULPSJADMKZBH-UHFFFAOYSA-N 0 1 295.342 3.952 20 0 CHADMN Cc1cc([C@H](C)NCCCCCC(=O)OC(C)(C)C)no1 ZINC000340513403 1118313647 /nfs/dbraw/zinc/31/36/47/1118313647.db2.gz DCKBOHGPHUAHQG-ZDUSSCGKSA-N 0 1 296.411 3.536 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C)CC2)c(F)c1 ZINC000063302657 1118314808 /nfs/dbraw/zinc/31/48/08/1118314808.db2.gz ORRZVSOUEPEZPX-OCCSQVGLSA-N 0 1 292.398 3.583 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@H]1F)c1cnn(C2CCCC2)c1 ZINC000340521928 1118316134 /nfs/dbraw/zinc/31/61/34/1118316134.db2.gz GZQLZFQMFGWFOO-NILFDRSVSA-N 0 1 265.376 3.539 20 0 CHADMN CCc1nc(C)c([C@H](C)N[C@H]2CCC[C@H]2F)s1 ZINC000340525033 1118316841 /nfs/dbraw/zinc/31/68/41/1118316841.db2.gz LHZMMEOMQTXAEW-GDPRMGEGSA-N 0 1 256.390 3.555 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1N[C@@H](C)c1cc(C)on1 ZINC000340526258 1118316885 /nfs/dbraw/zinc/31/68/85/1118316885.db2.gz PXNABBAISIKXCA-OUCADQQQSA-N 0 1 268.426 3.698 20 0 CHADMN c1ccc(CN(Cc2cccc3c2OCCO3)C2CC2)cc1 ZINC000064431763 1118325916 /nfs/dbraw/zinc/32/59/16/1118325916.db2.gz XTURGHGWOOSQNQ-UHFFFAOYSA-N 0 1 295.382 3.622 20 0 CHADMN Cc1scc(CN[C@@H]2CCCc3cccnc32)c1C ZINC000399844786 1118329877 /nfs/dbraw/zinc/32/98/77/1118329877.db2.gz HYKMSSLRQPYKHN-OAHLLOKOSA-N 0 1 272.417 3.927 20 0 CHADMN CC[C@@H](C)CCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC001648908175 1118330703 /nfs/dbraw/zinc/33/07/03/1118330703.db2.gz XLMBLANHYAMXSL-MRVPVSSYSA-N 0 1 290.190 3.865 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(O)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746293 1118332012 /nfs/dbraw/zinc/33/20/12/1118332012.db2.gz GIQIRSUEDKFUHK-WDEREUQCSA-N 0 1 298.342 3.651 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc(CC(C)C)c2)[nH]n1 ZINC000671748272 1118336352 /nfs/dbraw/zinc/33/63/52/1118336352.db2.gz UDRITYZWIMESDW-AWEZNQCLSA-N 0 1 271.408 3.767 20 0 CHADMN CCCCc1nc(CN2CCCC[C@@H](COC)C2)cs1 ZINC000375111369 1118339742 /nfs/dbraw/zinc/33/97/42/1118339742.db2.gz BSXQVFNPDVTAHL-CQSZACIVSA-N 0 1 296.480 3.734 20 0 CHADMN CCN(CCOC(C)(C)C)Cc1ccccc1Cl ZINC000065950435 1118340706 /nfs/dbraw/zinc/34/07/06/1118340706.db2.gz YHSDGSVCVZKQSC-UHFFFAOYSA-N 0 1 269.816 3.977 20 0 CHADMN c1c2cccnc2[nH]c1-c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656051816 1118342092 /nfs/dbraw/zinc/34/20/92/1118342092.db2.gz PXQXNRLHFUUIGZ-JLLWLGSASA-N 0 1 280.331 3.517 20 0 CHADMN Clc1ccc(CNCc2ccc3cnccc3c2)o1 ZINC000683764975 1118344395 /nfs/dbraw/zinc/34/43/95/1118344395.db2.gz MYWQVRXYWRGDOZ-UHFFFAOYSA-N 0 1 272.735 3.771 20 0 CHADMN Cc1nc2c(cccc2C(=O)N([C@H](C)C(C)C)C2CC2)[nH]1 ZINC000283592538 1118345489 /nfs/dbraw/zinc/34/54/89/1118345489.db2.gz XOMMYSDFKZPDNF-LLVKDONJSA-N 0 1 285.391 3.520 20 0 CHADMN C[C@H](CN(C)[C@@H](C)c1nc(C2CC2)no1)c1ccccc1 ZINC000066854653 1118348655 /nfs/dbraw/zinc/34/86/55/1118348655.db2.gz BZCSAWACKGUBML-OLZOCXBDSA-N 0 1 285.391 3.744 20 0 CHADMN CC(C)Cc1ccc([C@@H](NCc2cc[nH]n2)C2CC2)cc1 ZINC000066992182 1118349861 /nfs/dbraw/zinc/34/98/61/1118349861.db2.gz PKQCJAMUNZWZAH-GOSISDBHSA-N 0 1 283.419 3.849 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1sccc1Cl ZINC000683774309 1118355410 /nfs/dbraw/zinc/35/54/10/1118355410.db2.gz ISVHEDYILNBQGA-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1cscc1CNCc1nccc2ccccc21 ZINC000683776576 1118357275 /nfs/dbraw/zinc/35/72/75/1118357275.db2.gz UUODFNZHRRUHFT-UHFFFAOYSA-N 0 1 268.385 3.895 20 0 CHADMN CC(C)(C)c1cc(=O)n(-c2ccccc2Cl)[nH]1 ZINC000116603602 1118358903 /nfs/dbraw/zinc/35/89/03/1118358903.db2.gz GLXRXLLWDIKBFZ-UHFFFAOYSA-N 0 1 250.729 3.529 20 0 CHADMN Cc1cc([C@H](C)N[C@H](c2nccn2C)C2CC2)ccc1F ZINC000671766435 1118359189 /nfs/dbraw/zinc/35/91/89/1118359189.db2.gz YSCMYNOOBZDGSE-LRDDRELGSA-N 0 1 287.382 3.670 20 0 CHADMN CN(Cc1cccnc1)Cc1cccc(C(F)(F)F)c1 ZINC000071006752 1118373078 /nfs/dbraw/zinc/37/30/78/1118373078.db2.gz OMCMQUYVRUYQOG-UHFFFAOYSA-N 0 1 280.293 3.732 20 0 CHADMN CO[C@@H](c1ccccc1)[C@H](C)NCc1nc(C)c(C)s1 ZINC000683818252 1118387465 /nfs/dbraw/zinc/38/74/65/1118387465.db2.gz DZHZYWSFSMOZNA-BLLLJJGKSA-N 0 1 290.432 3.626 20 0 CHADMN CCC(C)(C)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000074320717 1118387751 /nfs/dbraw/zinc/38/77/51/1118387751.db2.gz JFKKASPUEMLNEZ-UHFFFAOYSA-N 0 1 273.380 3.665 20 0 CHADMN CCC(C)=Nc1cc(Cl)cnc1Br ZINC001210791955 1118388093 /nfs/dbraw/zinc/38/80/93/1118388093.db2.gz FYZJJSGJISZAAQ-ZZXKWVIFSA-N 0 1 261.550 3.833 20 0 CHADMN CC=C(C)Nc1c(F)cccc1OC[C@@H]1CCCO1 ZINC001210797155 1118391888 /nfs/dbraw/zinc/39/18/88/1118391888.db2.gz CMJACROHURPNOR-JPOQUURFSA-N 0 1 265.328 3.719 20 0 CHADMN CCCCN(CC(=O)Nc1ccc(C)cc1C)C1CC1 ZINC000046602739 1118391965 /nfs/dbraw/zinc/39/19/65/1118391965.db2.gz CVQSCKLUQARHFA-UHFFFAOYSA-N 0 1 274.408 3.506 20 0 CHADMN CC=C(C)Nc1c(F)cccc1OC1CCOCC1 ZINC001210798529 1118393475 /nfs/dbraw/zinc/39/34/75/1118393475.db2.gz XBGYVTPBYFSEOE-QDEBKDIKSA-N 0 1 265.328 3.719 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1CC[C@H](C)CC1 ZINC000580201155 1118400710 /nfs/dbraw/zinc/40/07/10/1118400710.db2.gz ZZKKWYZAZBOKGP-UMSPYCQHSA-N 0 1 271.364 3.636 20 0 CHADMN C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000683837544 1118402548 /nfs/dbraw/zinc/40/25/48/1118402548.db2.gz KXUBLDQWQIVIDR-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN NC1(c2nc(C3CCCCCC3)no2)CCCCC1 ZINC000087945535 1118408888 /nfs/dbraw/zinc/40/88/88/1118408888.db2.gz YDTXBGMXAUBGIR-UHFFFAOYSA-N 0 1 263.385 3.626 20 0 CHADMN CSc1ccc(-n2c(N)nc3c2cccc3C)c(F)c1 ZINC001210870497 1118413042 /nfs/dbraw/zinc/41/30/42/1118413042.db2.gz ZJOOUXGILDGULD-UHFFFAOYSA-N 0 1 287.363 3.777 20 0 CHADMN C[C@@H](CCC1CCCC1)NCc1nccc(C(F)F)n1 ZINC000348646667 1118420311 /nfs/dbraw/zinc/42/03/11/1118420311.db2.gz SWKIFRJOMVLBBR-NSHDSACASA-N 0 1 283.366 3.863 20 0 CHADMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1ccccc1C(=O)[O-])C1CC1 ZINC000580319663 1118420959 /nfs/dbraw/zinc/42/09/59/1118420959.db2.gz TYRNKCUMLDDUGT-OLZOCXBDSA-N 0 1 275.392 3.784 20 0 CHADMN C[C@H](N[C@H](CO)c1ccsc1)c1cccc(Cl)c1 ZINC000349315833 1118424985 /nfs/dbraw/zinc/42/49/85/1118424985.db2.gz VOCJQJMBUHSEDA-IINYFYTJSA-N 0 1 281.808 3.786 20 0 CHADMN COc1cccc([C@H]2CCCN2Cc2oc(C)nc2C)c1 ZINC000683897154 1118432725 /nfs/dbraw/zinc/43/27/25/1118432725.db2.gz PRFWMFUWURNVKN-MRXNPFEDSA-N 0 1 286.375 3.637 20 0 CHADMN Cc1ccc(CCC2CCN(Cc3cn(C)cn3)CC2)cc1 ZINC000683897280 1118432885 /nfs/dbraw/zinc/43/28/85/1118432885.db2.gz WPWAFHMCSYSQEW-UHFFFAOYSA-N 0 1 297.446 3.573 20 0 CHADMN CC(=Nc1ccc2nsnc2c1)c1ccccc1 ZINC001210984833 1118434248 /nfs/dbraw/zinc/43/42/48/1118434248.db2.gz ARCWAKZSCVABEX-UHFFFAOYSA-N 0 1 253.330 3.774 20 0 CHADMN Oc1ccc(C2=CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000078254187 1118435079 /nfs/dbraw/zinc/43/50/79/1118435079.db2.gz KBMSWLGXMFYBAI-UHFFFAOYSA-N 0 1 283.346 3.821 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1Cc1ccc(F)nc1 ZINC000189582595 1128777331 /nfs/dbraw/zinc/77/73/31/1128777331.db2.gz DQBBSOBLZQJWFD-INIZCTEOSA-N 0 1 270.351 3.558 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2CCc3ccc(F)cc32)s1 ZINC000089552721 1118439701 /nfs/dbraw/zinc/43/97/01/1118439701.db2.gz QJPBSFAOAGDGER-YMTOWFKASA-N 0 1 276.380 3.929 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])[C@@H](C)c1ccc2ccccc2c1 ZINC000086776128 1118444371 /nfs/dbraw/zinc/44/43/71/1118444371.db2.gz XKTAEQXFZSHNMU-ZDUSSCGKSA-N 0 1 271.360 3.697 20 0 CHADMN CSc1cncc(Nc2cc(C)nc3ccccc32)c1 ZINC001211068878 1118454292 /nfs/dbraw/zinc/45/42/92/1118454292.db2.gz HHHARJAEQIKWPW-UHFFFAOYSA-N 0 1 281.384 3.826 20 0 CHADMN FC(F)c1ccc(CN2CC(Cc3cccs3)C2)cn1 ZINC000639356487 1118456919 /nfs/dbraw/zinc/45/69/19/1118456919.db2.gz JWIZUFCVWQKTBV-UHFFFAOYSA-N 0 1 294.370 3.755 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394577362 1118460593 /nfs/dbraw/zinc/46/05/93/1118460593.db2.gz QIVFQAWAWUPMQI-MRXNPFEDSA-N 0 1 281.440 3.924 20 0 CHADMN Cc1cc(-c2nc(C3(N)CCCCC3)no2)sc1C ZINC000087569864 1118464310 /nfs/dbraw/zinc/46/43/10/1118464310.db2.gz HDNZJUWGYCDINU-UHFFFAOYSA-N 0 1 277.393 3.533 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccsc1Cl ZINC000263137044 1118473642 /nfs/dbraw/zinc/47/36/42/1118473642.db2.gz MDYBBPHFYXXPLR-WCQGTBRESA-N 0 1 299.823 3.619 20 0 CHADMN Cc1cccc(O)c1-c1nc2ccc(Cl)cc2[nH]1 ZINC000706647265 1118487050 /nfs/dbraw/zinc/48/70/50/1118487050.db2.gz LNERPYDMZYXJFR-UHFFFAOYSA-N 0 1 258.708 3.897 20 0 CHADMN Cn1cncc1Nc1cccc(C(F)(F)F)c1Cl ZINC001211250036 1118487741 /nfs/dbraw/zinc/48/77/41/1118487741.db2.gz FGYLREDAFCSMQC-UHFFFAOYSA-N 0 1 275.661 3.836 20 0 CHADMN FC1(F)CC12CN(Cc1cccc(-c3cccnc3)c1)C2 ZINC000656266466 1118488118 /nfs/dbraw/zinc/48/81/18/1118488118.db2.gz YCRZNTPMQUKTOU-UHFFFAOYSA-N 0 1 286.325 3.590 20 0 CHADMN Cc1nn(C)cc1[C@H]1CCCN1Cc1cc2ccccc2[nH]1 ZINC000684022453 1118490829 /nfs/dbraw/zinc/49/08/29/1118490829.db2.gz MBULATZTYBNAMN-GOSISDBHSA-N 0 1 294.402 3.547 20 0 CHADMN COc1cnccc1Nc1ccc(Oc2nccs2)cc1 ZINC001211263488 1118492660 /nfs/dbraw/zinc/49/26/60/1118492660.db2.gz UIQIMZRIUMKJED-UHFFFAOYSA-N 0 1 299.355 3.505 20 0 CHADMN C[C@@H](CSc1nc(C2CC2)n[nH]1)C1CCCCC1 ZINC000580779741 1118503104 /nfs/dbraw/zinc/50/31/04/1118503104.db2.gz SEHVKUKZYSEQOC-JTQLQIEISA-N 0 1 265.426 3.991 20 0 CHADMN C[C@@H](CSc1n[nH]c(C2CC2)n1)C1CCCCC1 ZINC000580779741 1118503106 /nfs/dbraw/zinc/50/31/06/1118503106.db2.gz SEHVKUKZYSEQOC-JTQLQIEISA-N 0 1 265.426 3.991 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)c1ccccc1F ZINC001167434050 1118503278 /nfs/dbraw/zinc/50/32/78/1118503278.db2.gz RKPRDUUKTQDMDQ-DVOMOZLQSA-N 0 1 275.367 3.661 20 0 CHADMN COc1cc(C)nc(CN[C@@H](C)c2ccc(C)cc2)c1 ZINC000214056624 1118503304 /nfs/dbraw/zinc/50/33/04/1118503304.db2.gz RPJPNSLGSLATSG-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CC(C)(C)CC(=O)CSc1nc(-c2ccccc2)n[nH]1 ZINC000580824953 1118510556 /nfs/dbraw/zinc/51/05/56/1118510556.db2.gz GMPQNGKQQJCWSL-UHFFFAOYSA-N 0 1 289.404 3.569 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)cc(C)c1F ZINC001143381749 1118516801 /nfs/dbraw/zinc/51/68/01/1118516801.db2.gz NFJSSKRXUDFYBH-GFCCVEGCSA-N 0 1 275.289 3.827 20 0 CHADMN Cc1cc(CN2CC[C@@H](C(F)(F)F)C2)cc(C)c1F ZINC001143381749 1118516802 /nfs/dbraw/zinc/51/68/02/1118516802.db2.gz NFJSSKRXUDFYBH-GFCCVEGCSA-N 0 1 275.289 3.827 20 0 CHADMN CC1(C)CCc2onc(CN3CCC[C@@H]4CCC[C@@H]43)c2C1 ZINC001167438958 1118522562 /nfs/dbraw/zinc/52/25/62/1118522562.db2.gz RPJLCOOUZXPJMV-BBRMVZONSA-N 0 1 288.435 3.954 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccc3c(n1)CCC3)CCC2 ZINC000580997336 1118533509 /nfs/dbraw/zinc/53/35/09/1118533509.db2.gz AJTFQBUQJCHQQB-LJQANCHMSA-N 0 1 296.389 3.877 20 0 CHADMN CC(C)(C)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000307803562 1118534134 /nfs/dbraw/zinc/53/41/34/1118534134.db2.gz CVUZYKOLLQBTHF-NSHDSACASA-N 0 1 281.421 3.704 20 0 CHADMN CO[C@H](C)CN(Cc1nc(C)c(C(C)(C)C)s1)C(C)C ZINC001167443414 1118535811 /nfs/dbraw/zinc/53/58/11/1118535811.db2.gz UJZDSANKBZKTJK-GFCCVEGCSA-N 0 1 298.496 3.994 20 0 CHADMN CO[C@H](C)C[N@@H+](Cc1nc(C)c(C(C)(C)C)s1)C(C)C ZINC001167443414 1118535808 /nfs/dbraw/zinc/53/58/08/1118535808.db2.gz UJZDSANKBZKTJK-GFCCVEGCSA-N 0 1 298.496 3.994 20 0 CHADMN O=C(CN[C@@H](c1cccs1)C1CC1)c1ccccc1F ZINC000639563224 1118537895 /nfs/dbraw/zinc/53/78/95/1118537895.db2.gz SCQWUCFRNYJKFB-MRXNPFEDSA-N 0 1 289.375 3.811 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2cnn(C(C)C)c2)c(C)n1 ZINC000639580068 1118540016 /nfs/dbraw/zinc/54/00/16/1118540016.db2.gz KAWPGPRYBPNRPA-CQSZACIVSA-N 0 1 286.423 3.635 20 0 CHADMN c1ccc([C@H]2CCN2Cc2ccc3c(n2)CCC3)cc1 ZINC000656396688 1118541263 /nfs/dbraw/zinc/54/12/63/1118541263.db2.gz CUNHPBZTUDHHDG-GOSISDBHSA-N 0 1 264.372 3.517 20 0 CHADMN C/C(=C\c1ccc(Cl)cc1)c1nc([C@@H]2CCCN2)no1 ZINC000647146754 1118550220 /nfs/dbraw/zinc/55/02/20/1118550220.db2.gz BAFQDEXNVPSQAL-LXKVQUBZSA-N 0 1 289.766 3.708 20 0 CHADMN CC(C)OC1CC(N2CC[C@@H]2c2cccc(F)c2)C1 ZINC000656453957 1118554094 /nfs/dbraw/zinc/55/40/94/1118554094.db2.gz GKFAACJTEXNAFC-UYSNPLJNSA-N 0 1 263.356 3.529 20 0 CHADMN Cc1cc(CSc2nc3ccc(Cl)cc3[nH]2)on1 ZINC000071077858 1118558437 /nfs/dbraw/zinc/55/84/37/1118558437.db2.gz CILAYEHNQBBXJS-UHFFFAOYSA-N 0 1 279.752 3.805 20 0 CHADMN Cc1ccc2nc(-c3ccc(O[C@@H]4CCOC4)cc3)[nH]c2c1 ZINC000656486311 1118563703 /nfs/dbraw/zinc/56/37/03/1118563703.db2.gz XYNRQCZVVWKGHK-OAHLLOKOSA-N 0 1 294.354 3.706 20 0 CHADMN C[C@@H](NCc1ccc(O)cc1)c1ccccc1OC(F)F ZINC000035231563 1118573311 /nfs/dbraw/zinc/57/33/11/1118573311.db2.gz GVJKJPQLZIEVGU-LLVKDONJSA-N 0 1 293.313 3.844 20 0 CHADMN Cc1cccc(C[N@@H+](C)CCOC2CCCCCC2)n1 ZINC000348580092 1118578421 /nfs/dbraw/zinc/57/84/21/1118578421.db2.gz SCACWUMQPCHRDP-UHFFFAOYSA-N 0 1 276.424 3.561 20 0 CHADMN Cc1cccc(CN(C)CCOC2CCCCCC2)n1 ZINC000348580092 1118578425 /nfs/dbraw/zinc/57/84/25/1118578425.db2.gz SCACWUMQPCHRDP-UHFFFAOYSA-N 0 1 276.424 3.561 20 0 CHADMN Fc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1 ZINC000070234684 1118579719 /nfs/dbraw/zinc/57/97/19/1118579719.db2.gz BROCLSPHUVGXKJ-UHFFFAOYSA-N 0 1 281.084 3.725 20 0 CHADMN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C1CC(C)(C)C1 ZINC000650345619 1118583022 /nfs/dbraw/zinc/58/30/22/1118583022.db2.gz NZALTDKKJGXOIE-UHFFFAOYSA-N 0 1 299.418 3.734 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(C3CC3)cc2)nc1 ZINC000656569016 1118597953 /nfs/dbraw/zinc/59/79/53/1118597953.db2.gz RAHFLKAPQZKUNA-UHFFFAOYSA-N 0 1 266.388 3.899 20 0 CHADMN Cc1cnc(CN[C@@H](CC(C)C)c2ccccc2)n1C ZINC000341083484 1118600702 /nfs/dbraw/zinc/60/07/02/1118600702.db2.gz WOWYJHCEROYCMM-INIZCTEOSA-N 0 1 271.408 3.606 20 0 CHADMN CC(C)Cc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cn1 ZINC000891408270 1118601520 /nfs/dbraw/zinc/60/15/20/1118601520.db2.gz XFSLPRSJVOIFQD-GOSISDBHSA-N 0 1 283.419 3.945 20 0 CHADMN C[C@@H](NCc1nc2cccnc2s1)c1ccccc1 ZINC000341160950 1118609542 /nfs/dbraw/zinc/60/95/42/1118609542.db2.gz LZMDONWJXRKETH-LLVKDONJSA-N 0 1 269.373 3.542 20 0 CHADMN C[C@@H](NC/C=C/Cl)c1ccc(Br)s1 ZINC000308222020 1118609817 /nfs/dbraw/zinc/60/98/17/1118609817.db2.gz CNAMSBIUVHCZCI-AJCRVFRXSA-N 0 1 280.618 3.914 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1OC1CCCC1 ZINC000656647790 1118618905 /nfs/dbraw/zinc/61/89/05/1118618905.db2.gz JIIYBPSUVGEFBK-IYBDPMFKSA-N 0 1 299.414 3.704 20 0 CHADMN COc1ccc([C@@H](C)NCc2nc3cccnc3s2)cc1 ZINC000341213532 1118623827 /nfs/dbraw/zinc/62/38/27/1118623827.db2.gz RDYHSROYWOVTQE-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN FC(F)(F)CC1CN(CCc2ccc(Cl)cc2)C1 ZINC000656688825 1118637482 /nfs/dbraw/zinc/63/74/82/1118637482.db2.gz WLSHSPBYGTZREE-UHFFFAOYSA-N 0 1 277.717 3.767 20 0 CHADMN C[C@H](NC(=O)CN(C)[C@@H](C)c1ccccc1)c1ccccc1 ZINC000023039433 1118641112 /nfs/dbraw/zinc/64/11/12/1118641112.db2.gz MVPWIFIKXMZGDH-HOTGVXAUSA-N 0 1 296.414 3.557 20 0 CHADMN Cc1cc2cc[nH]c2c(N[C@@H](C)c2ccc(F)cn2)n1 ZINC001167476260 1118647015 /nfs/dbraw/zinc/64/70/15/1118647015.db2.gz RBDZTQWFPIBABB-JTQLQIEISA-N 0 1 270.311 3.579 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC3(CCCC3)CC2)cc1 ZINC000656757831 1118650260 /nfs/dbraw/zinc/65/02/60/1118650260.db2.gz BFLQLOSZVCDQBR-UHFFFAOYSA-N 0 1 287.403 3.931 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000656762222 1118651283 /nfs/dbraw/zinc/65/12/83/1118651283.db2.gz AUQRFVVFLQLAPQ-UHFFFAOYSA-N 0 1 281.421 3.849 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656760758 1118651543 /nfs/dbraw/zinc/65/15/43/1118651543.db2.gz HBHOZYNTNUVGCW-ZDUSSCGKSA-N 0 1 293.432 3.849 20 0 CHADMN CCC1(CC)CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000656762792 1118651803 /nfs/dbraw/zinc/65/18/03/1118651803.db2.gz HCKMSOFVHGVJJE-OAHLLOKOSA-N 0 1 293.382 3.854 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)oc1C(=O)[O-] ZINC000656761836 1118651965 /nfs/dbraw/zinc/65/19/65/1118651965.db2.gz UXSFECOEASOLAA-CQSZACIVSA-N 0 1 291.391 3.688 20 0 CHADMN CCC[N@H+](Cc1occc1C(=O)[O-])Cc1ccccc1F ZINC000656765688 1118652343 /nfs/dbraw/zinc/65/23/43/1118652343.db2.gz NGLIKHDFFYKPFF-UHFFFAOYSA-N 0 1 291.322 3.529 20 0 CHADMN CCC[N@@H+](Cc1occc1C(=O)[O-])Cc1ccccc1F ZINC000656765688 1118652344 /nfs/dbraw/zinc/65/23/44/1118652344.db2.gz NGLIKHDFFYKPFF-UHFFFAOYSA-N 0 1 291.322 3.529 20 0 CHADMN CCC[N@@H+](CCCCCC(=O)[O-])Cc1ccccc1F ZINC000656765097 1118652393 /nfs/dbraw/zinc/65/23/93/1118652393.db2.gz IQAFGFIWBLKNHZ-UHFFFAOYSA-N 0 1 281.371 3.683 20 0 CHADMN Cc1ccnc(NCc2cccc3c2OCCO3)c1C1CC1 ZINC000656779677 1118655853 /nfs/dbraw/zinc/65/58/53/1118655853.db2.gz UEQFKAOVEZPXLH-UHFFFAOYSA-N 0 1 296.370 3.651 20 0 CHADMN CCc1ccc(C)nc1NCc1csc(C2CC2)n1 ZINC000656777895 1118656070 /nfs/dbraw/zinc/65/60/70/1118656070.db2.gz HAAMYAUENOAFKM-UHFFFAOYSA-N 0 1 273.405 3.898 20 0 CHADMN CCc1ccc(C)nc1NCc1cc(COC)cs1 ZINC000656778737 1118656137 /nfs/dbraw/zinc/65/61/37/1118656137.db2.gz JNKNLXKQHYTHPN-UHFFFAOYSA-N 0 1 276.405 3.772 20 0 CHADMN Cc1ccnc(NCc2cccc3nccn32)c1C1CC1 ZINC000656779679 1118656155 /nfs/dbraw/zinc/65/61/55/1118656155.db2.gz UGIHBOAOAWCNAF-UHFFFAOYSA-N 0 1 278.359 3.527 20 0 CHADMN CO[C@@H]1C[C@@H](N[C@@H](c2ccco2)c2ccccc2)C12CCC2 ZINC000308386276 1118659888 /nfs/dbraw/zinc/65/98/88/1118659888.db2.gz DTJWPLUQCSFLSH-KZNAEPCWSA-N 0 1 297.398 3.916 20 0 CHADMN Cc1ccc2nc(CNCc3ccc(C4CC4)cc3)cn2c1 ZINC000341365508 1118676196 /nfs/dbraw/zinc/67/61/96/1118676196.db2.gz QLKIWFSANDPORX-UHFFFAOYSA-N 0 1 291.398 3.810 20 0 CHADMN C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)Cc1cnn(C)c1 ZINC000129977594 1118677370 /nfs/dbraw/zinc/67/73/70/1118677370.db2.gz UFYOSKMLYJVXMF-AWEZNQCLSA-N 0 1 285.435 3.911 20 0 CHADMN C[C@@H](c1ccc(C(C)(C)C)cc1)N(C)Cc1cnn(C)c1 ZINC000129977594 1118677371 /nfs/dbraw/zinc/67/73/71/1118677371.db2.gz UFYOSKMLYJVXMF-AWEZNQCLSA-N 0 1 285.435 3.911 20 0 CHADMN Cc1ccc(CNc2ccc3c(c2)CN(C)C3)c(C)c1 ZINC000121303827 1118680820 /nfs/dbraw/zinc/68/08/20/1118680820.db2.gz WPISBNIFCXLPON-UHFFFAOYSA-N 0 1 266.388 3.861 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)CC1 ZINC000079054336 1118682603 /nfs/dbraw/zinc/68/26/03/1118682603.db2.gz DZNJIIVDENITOA-LBPRGKRZSA-N 0 1 252.789 3.747 20 0 CHADMN C[C@@H]1C[C@@H](C)N1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000684411314 1118686011 /nfs/dbraw/zinc/68/60/11/1118686011.db2.gz JFJANJXPBDDWFI-CHWSQXEVSA-N 0 1 289.810 3.568 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H]2CCc3cc(F)ccc32)s1 ZINC000090405990 1118695200 /nfs/dbraw/zinc/69/52/00/1118695200.db2.gz BYWMGYWBRBXYIU-OTYXRUKQSA-N 0 1 276.380 3.929 20 0 CHADMN Cc1ccc(C)c(C(=O)Nc2nc(-c3cccs3)n[nH]2)c1 ZINC000077043857 1128794495 /nfs/dbraw/zinc/79/44/95/1128794495.db2.gz IGXBMIQRLOBPIJ-UHFFFAOYSA-N 0 1 298.371 3.786 20 0 CHADMN CCOc1ccc(CN2CC=C(c3ccc(O)cc3)CC2)o1 ZINC000891537862 1118704664 /nfs/dbraw/zinc/70/46/64/1118704664.db2.gz YDJNLIVRKBPBCH-UHFFFAOYSA-N 0 1 299.370 3.673 20 0 CHADMN CSc1ncc(Nc2nnc(C(C)(C)C)o2)cc1Cl ZINC001216025324 1118705256 /nfs/dbraw/zinc/70/52/56/1118705256.db2.gz NTXGZTUPPRXPHL-UHFFFAOYSA-N 0 1 298.799 3.881 20 0 CHADMN Cc1csc(C2(NCCC(F)(F)F)CCCC2)n1 ZINC000081595710 1118711695 /nfs/dbraw/zinc/71/16/95/1118711695.db2.gz CZRHLQQWHFWYOC-UHFFFAOYSA-N 0 1 278.343 3.763 20 0 CHADMN CC(C)CCC[C@@H](C)NC(=O)c1cc2[nH]cnc2cc1F ZINC000341500754 1118717269 /nfs/dbraw/zinc/71/72/69/1118717269.db2.gz YZBATHFXFGUTBD-LLVKDONJSA-N 0 1 291.370 3.647 20 0 CHADMN CCn1cc(CN([C@@H](C)c2ccccc2)C2CC2)c(C)n1 ZINC000891594552 1118718665 /nfs/dbraw/zinc/71/86/65/1118718665.db2.gz MVXLBXVUVLEVBY-HNNXBMFYSA-N 0 1 283.419 3.937 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccsc1)c1coc2ccccc21 ZINC000926198891 1118719713 /nfs/dbraw/zinc/71/97/13/1118719713.db2.gz MPTMBFHMURAJIZ-ABAIWWIYSA-N 0 1 287.384 3.879 20 0 CHADMN Cc1ccc(CN(CCO)Cc2ccc([C@H]3C[C@@H]3C)o2)cc1 ZINC000341530246 1118721068 /nfs/dbraw/zinc/72/10/68/1118721068.db2.gz MRKOCAWPSQEHGB-YJBOKZPZSA-N 0 1 299.414 3.706 20 0 CHADMN Cc1ccc(CN(CCO)Cc2ccc([C@@H]3C[C@H]3C)o2)cc1 ZINC000341530240 1118721217 /nfs/dbraw/zinc/72/12/17/1118721217.db2.gz MRKOCAWPSQEHGB-CRAIPNDOSA-N 0 1 299.414 3.706 20 0 CHADMN COc1ccc(CN2CCC[C@@H]2c2ccsc2)o1 ZINC000891617791 1118721599 /nfs/dbraw/zinc/72/15/99/1118721599.db2.gz JJPYXLNFYUFAKH-CYBMUJFWSA-N 0 1 263.362 3.687 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2nccn2C2CC2)c1 ZINC000891618938 1118722431 /nfs/dbraw/zinc/72/24/31/1118722431.db2.gz VXKUVXBXLOEKSR-KRWDZBQOSA-N 0 1 281.403 3.864 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@H]1c1ccccn1 ZINC000891629130 1118725735 /nfs/dbraw/zinc/72/57/35/1118725735.db2.gz BFKBUKOHKOCNSA-SFHVURJKSA-N 0 1 298.434 3.813 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1cnc(F)c(C)c1 ZINC000891626842 1118725836 /nfs/dbraw/zinc/72/58/36/1118725836.db2.gz OQZUQOGVTRGMMX-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCCc3ccccn3)n2)cc1 ZINC000588670763 1118726602 /nfs/dbraw/zinc/72/66/02/1118726602.db2.gz QOQUENIAPRZJOM-UHFFFAOYSA-N 0 1 296.399 3.510 20 0 CHADMN Fc1ccc(/C=C/CNCc2nc(C3CC3)cs2)cc1 ZINC000128964451 1118732998 /nfs/dbraw/zinc/73/29/98/1118732998.db2.gz YOKSGKJHDVMSSZ-OWOJBTEDSA-N 0 1 288.391 3.963 20 0 CHADMN COc1ccc(F)c(F)c1CN1CCCC[C@@H](C)C1 ZINC001143403777 1118735563 /nfs/dbraw/zinc/73/55/63/1118735563.db2.gz HGERNYGTKBOIHP-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN O=C(Nc1cccc(Cl)c1)c1cn[nH]c1-c1ccccc1 ZINC000341595367 1118753023 /nfs/dbraw/zinc/75/30/23/1118753023.db2.gz KJSMPMGCGDMHNP-UHFFFAOYSA-N 0 1 297.745 3.982 20 0 CHADMN C[C@@H](NCCCCCc1ccc(F)cc1)c1ncco1 ZINC000926219399 1118757252 /nfs/dbraw/zinc/75/72/52/1118757252.db2.gz ADCDNEWFPSXOHU-CYBMUJFWSA-N 0 1 276.355 3.877 20 0 CHADMN CC[N@@H+](CCc1ccccc1)Cc1nc2cccnc2s1 ZINC000341610327 1118757413 /nfs/dbraw/zinc/75/74/13/1118757413.db2.gz GMKJZXXPDGPYBH-UHFFFAOYSA-N 0 1 297.427 3.756 20 0 CHADMN CC[C@@H](NCc1cccc(F)c1)c1ccc(F)cn1 ZINC000131248774 1118759404 /nfs/dbraw/zinc/75/94/04/1118759404.db2.gz OGNFDUUYIGEELF-CQSZACIVSA-N 0 1 262.303 3.601 20 0 CHADMN Oc1ccc2c(c1)CN(CCSCc1ccccc1)CC2 ZINC000430729967 1118764056 /nfs/dbraw/zinc/76/40/56/1118764056.db2.gz QHTBZRMCOFFLGL-UHFFFAOYSA-N 0 1 299.439 3.684 20 0 CHADMN C[C@H]1CN(Cc2ccc(-c3cccs3)cc2)CCO1 ZINC000510568749 1118769869 /nfs/dbraw/zinc/76/98/69/1118769869.db2.gz GXQLWXGKULHIBL-ZDUSSCGKSA-N 0 1 273.401 3.636 20 0 CHADMN Oc1ccc([C@H]2CCCN2Cc2cnn(C3CCC3)c2)cc1 ZINC000891796234 1118777596 /nfs/dbraw/zinc/77/75/96/1118777596.db2.gz KTNQHJQDVGOVFH-GOSISDBHSA-N 0 1 297.402 3.651 20 0 CHADMN CCCCN(C(=O)c1cnc(C2CC2)[nH]1)C1CCCCC1 ZINC000341647263 1118778358 /nfs/dbraw/zinc/77/83/58/1118778358.db2.gz UWHPMUVXSIKUQT-UHFFFAOYSA-N 0 1 289.423 3.862 20 0 CHADMN COc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c2ccccc12 ZINC000510642684 1118780362 /nfs/dbraw/zinc/78/03/62/1118780362.db2.gz CTAWYWSMARKVTI-PKOBYXMFSA-N 0 1 297.398 3.602 20 0 CHADMN COc1ccc(CN2CCO[C@@H]3CCC[C@@H]32)c2ccccc12 ZINC000510642684 1118780365 /nfs/dbraw/zinc/78/03/65/1118780365.db2.gz CTAWYWSMARKVTI-PKOBYXMFSA-N 0 1 297.398 3.602 20 0 CHADMN CCc1oc2ccccc2c1CN1CCO[C@H]2CCC[C@H]21 ZINC000430876635 1118780670 /nfs/dbraw/zinc/78/06/70/1118780670.db2.gz RYWVQCWVRMEBPA-QAPCUYQASA-N 0 1 285.387 3.749 20 0 CHADMN C[C@@]1(c2ccccc2)CC[C@H]([N@H+]2CCO[C@H]3CCC[C@H]32)C1 ZINC000430873040 1118780832 /nfs/dbraw/zinc/78/08/32/1118780832.db2.gz OLAIMGPVOLSUDI-ZSYWTGECSA-N 0 1 285.431 3.750 20 0 CHADMN C[C@@]1(c2ccccc2)CC[C@H](N2CCO[C@H]3CCC[C@H]32)C1 ZINC000430873040 1118780833 /nfs/dbraw/zinc/78/08/33/1118780833.db2.gz OLAIMGPVOLSUDI-ZSYWTGECSA-N 0 1 285.431 3.750 20 0 CHADMN CC1=C[C@H](C)CN(Cc2cnc(C3CCC3)s2)C1 ZINC000430874801 1118781847 /nfs/dbraw/zinc/78/18/47/1118781847.db2.gz HQBSRGHHLSEOAS-NSHDSACASA-N 0 1 262.422 3.809 20 0 CHADMN Clc1ccc(/C=C/CN2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000510661398 1118784266 /nfs/dbraw/zinc/78/42/66/1118784266.db2.gz YOONPDMADDQGBG-TWTBHFKPSA-N 0 1 277.795 3.607 20 0 CHADMN Cc1cccc(CN2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000510674380 1118785432 /nfs/dbraw/zinc/78/54/32/1118785432.db2.gz IALNMXDJQHGBRC-HXUWFJFHSA-N 0 1 293.410 3.669 20 0 CHADMN C[C@H]1C[N@@H+](CC2CCCCCC2)C[C@@H](C(F)(F)F)O1 ZINC001167493362 1118798418 /nfs/dbraw/zinc/79/84/18/1118798418.db2.gz YGBXCAHZJHDRDJ-AAEUAGOBSA-N 0 1 279.346 3.608 20 0 CHADMN C[C@H]1CN(CC2CCCCCC2)C[C@@H](C(F)(F)F)O1 ZINC001167493362 1118798421 /nfs/dbraw/zinc/79/84/21/1118798421.db2.gz YGBXCAHZJHDRDJ-AAEUAGOBSA-N 0 1 279.346 3.608 20 0 CHADMN C[C@]1(NCc2nccn2C(F)F)CCCc2ccccc21 ZINC000341688836 1118798626 /nfs/dbraw/zinc/79/86/26/1118798626.db2.gz GQRIGAPCJZRPFB-INIZCTEOSA-N 0 1 291.345 3.620 20 0 CHADMN Cc1ccncc1CN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000341696886 1118799896 /nfs/dbraw/zinc/79/98/96/1118799896.db2.gz GDEMLJUWIJYQBP-JTQLQIEISA-N 0 1 280.293 3.658 20 0 CHADMN CC1(C)CN(C/C=C/Cl)CC[C@H]1C(F)(F)F ZINC000190169712 1128801561 /nfs/dbraw/zinc/80/15/61/1128801561.db2.gz PQKHRLSIRGGILF-HYYFJVDXSA-N 0 1 255.711 3.649 20 0 CHADMN Cc1ccccc1[C@@H](N[C@@H](C)c1nccn1C)C1CC1 ZINC000341699102 1118800594 /nfs/dbraw/zinc/80/05/94/1118800594.db2.gz QUVODTGMGPLIHH-BBRMVZONSA-N 0 1 269.392 3.530 20 0 CHADMN C[C@@H](NCCOC(C)(C)C)c1nc2ccccc2s1 ZINC000308691334 1118803517 /nfs/dbraw/zinc/80/35/17/1118803517.db2.gz JYGMONXPOZDNAK-LLVKDONJSA-N 0 1 278.421 3.762 20 0 CHADMN C[C@H](NC(=O)CCCC1CCCCC1)C1=CC[N@@H+](C)CC1 ZINC000510772877 1118812697 /nfs/dbraw/zinc/81/26/97/1118812697.db2.gz ODSOJTLXUXLJMU-HNNXBMFYSA-N 0 1 292.467 3.504 20 0 CHADMN CCCOc1ccc(CNc2ccc3c[nH]nc3c2)cc1 ZINC000037134126 1118813475 /nfs/dbraw/zinc/81/34/75/1118813475.db2.gz XTEZRQAYRAUBPO-UHFFFAOYSA-N 0 1 281.359 3.964 20 0 CHADMN COc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001143412058 1118820111 /nfs/dbraw/zinc/82/01/11/1118820111.db2.gz FWUIFWRJXPGRQZ-SMDDNHRTSA-N 0 1 281.346 3.738 20 0 CHADMN COc1ccc(F)c(F)c1CN1CCC[C@@H]2CCC[C@H]21 ZINC001143412058 1118820114 /nfs/dbraw/zinc/82/01/14/1118820114.db2.gz FWUIFWRJXPGRQZ-SMDDNHRTSA-N 0 1 281.346 3.738 20 0 CHADMN CC(C)[C@H](CC1CCCCC1)C(=O)N(C)Cc1cnc[nH]1 ZINC000616925725 1128802781 /nfs/dbraw/zinc/80/27/81/1128802781.db2.gz OLBSGXVMGHHKHE-INIZCTEOSA-N 0 1 291.439 3.611 20 0 CHADMN COc1ccsc1CN(CCC(F)(F)F)CC1CC1 ZINC000091901506 1118837003 /nfs/dbraw/zinc/83/70/03/1118837003.db2.gz MXBFZOYSDBHTDJ-UHFFFAOYSA-N 0 1 293.354 3.921 20 0 CHADMN CCCCCN(Cc1nc(C2CC2)nn1C)[C@@H](C)CCC ZINC000563041637 1118851907 /nfs/dbraw/zinc/85/19/07/1118851907.db2.gz GYESDOKOTSAZIE-AWEZNQCLSA-N 0 1 292.471 3.873 20 0 CHADMN Cc1nc(C)c(CCNc2cc[nH+]c3c([O-])cccc23)s1 ZINC000684573447 1118856792 /nfs/dbraw/zinc/85/67/92/1118856792.db2.gz LYMGJCNAKGBHBE-UHFFFAOYSA-N 0 1 299.399 3.668 20 0 CHADMN COc1cccc(CNCc2cc3ccccc3s2)n1 ZINC000132119160 1118857069 /nfs/dbraw/zinc/85/70/69/1118857069.db2.gz KWWRVKGMNDGAIT-UHFFFAOYSA-N 0 1 284.384 3.595 20 0 CHADMN C[C@@]1(CNc2cc[nH+]c3c([O-])cccc23)CCCS1 ZINC000684574777 1118859078 /nfs/dbraw/zinc/85/90/78/1118859078.db2.gz BIEGZFBPWWTVBV-HNNXBMFYSA-N 0 1 274.389 3.638 20 0 CHADMN [O-]c1cccc2c(N[C@@H]3CCCC(F)(F)C3)cc[nH+]c12 ZINC000684578347 1118865676 /nfs/dbraw/zinc/86/56/76/1118865676.db2.gz LNNOOGUCDKTZTH-SNVBAGLBSA-N 0 1 278.302 3.930 20 0 CHADMN Cc1cc2cc(C[N@H+](C)[C@@H]3CCCOC3)oc2cc1C ZINC000348709439 1118867104 /nfs/dbraw/zinc/86/71/04/1118867104.db2.gz BFZZUNARNDULCK-OAHLLOKOSA-N 0 1 273.376 3.660 20 0 CHADMN CC(C)[C@H]1C[C@@H](Nc2cc[nH+]c3c([O-])cccc23)CCO1 ZINC000684581690 1118869363 /nfs/dbraw/zinc/86/93/63/1118869363.db2.gz ZXMWHGUNPBFHBS-BLLLJJGKSA-N 0 1 286.375 3.556 20 0 CHADMN CCc1ccc(CN2CCC[C@H]2c2ccccn2)o1 ZINC000535785581 1118886745 /nfs/dbraw/zinc/88/67/45/1118886745.db2.gz YGQCTPDERKYDDV-INIZCTEOSA-N 0 1 256.349 3.574 20 0 CHADMN CCCn1c2ccccc2nc1CN1C2CCC1CC2 ZINC000535780289 1118888363 /nfs/dbraw/zinc/88/83/63/1118888363.db2.gz UIEOLIXEDCOHTP-UHFFFAOYSA-N 0 1 269.392 3.573 20 0 CHADMN Cc1cc(C)c([C@H](C)N(C)Cc2c[nH]cn2)c(C)c1 ZINC000684616221 1118905046 /nfs/dbraw/zinc/90/50/46/1118905046.db2.gz GOJSRHPLFNIJGT-AWEZNQCLSA-N 0 1 257.381 3.528 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1cccnc1Cl)c1ccccc1 ZINC000178457656 1118909866 /nfs/dbraw/zinc/90/98/66/1118909866.db2.gz GKYUIAVZYGQMFG-WFASDCNBSA-N 0 1 290.794 3.773 20 0 CHADMN CN(C)Cc1cccc(Nc2cc(O)ccc2Cl)c1F ZINC001216232643 1118913472 /nfs/dbraw/zinc/91/34/72/1118913472.db2.gz KXJYLTKELWEIQN-UHFFFAOYSA-N 0 1 294.757 3.990 20 0 CHADMN O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000535907190 1118923705 /nfs/dbraw/zinc/92/37/05/1118923705.db2.gz PMBZWRMDGXMBME-FRRDWIJNSA-N 0 1 298.390 3.503 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000075021099 1118927364 /nfs/dbraw/zinc/92/73/64/1118927364.db2.gz GQGRNDRXZXYWES-TXEJJXNPSA-N 0 1 289.354 3.639 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1nnc(-c2cccc(F)c2)o1 ZINC000075021099 1118927367 /nfs/dbraw/zinc/92/73/67/1118927367.db2.gz GQGRNDRXZXYWES-TXEJJXNPSA-N 0 1 289.354 3.639 20 0 CHADMN Cc1ccc(OC(F)F)c(CN[C@@H](C)c2ccncc2)c1 ZINC000151641735 1118933762 /nfs/dbraw/zinc/93/37/62/1118933762.db2.gz WEYGBOPGIATIFQ-LBPRGKRZSA-N 0 1 292.329 3.842 20 0 CHADMN c1cc2c(s1)CCCN(Cc1cnn(C3CCC3)c1)C2 ZINC000892003687 1118934450 /nfs/dbraw/zinc/93/44/50/1118934450.db2.gz CUTLWZPZZOUQLL-UHFFFAOYSA-N 0 1 287.432 3.618 20 0 CHADMN CSc1ccc(Cn2c(C)nc3c2CCCC3)cc1 ZINC000657260667 1118942169 /nfs/dbraw/zinc/94/21/69/1118942169.db2.gz MMHYNVZXMQZCSH-UHFFFAOYSA-N 0 1 272.417 3.841 20 0 CHADMN COc1cc(Cl)ccc1Cn1c(C)nc2c1CCCC2 ZINC000657261678 1118942196 /nfs/dbraw/zinc/94/21/96/1118942196.db2.gz XNKKOFABMXDKIU-UHFFFAOYSA-N 0 1 290.794 3.781 20 0 CHADMN Cn1nc2c(c1CN1CCCCC[C@@H]1c1ccco1)CCC2 ZINC000892052275 1118949566 /nfs/dbraw/zinc/94/95/66/1118949566.db2.gz MFUDTBQILULBIX-MRXNPFEDSA-N 0 1 299.418 3.619 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2cccc3c2OCC3)n1 ZINC000892053778 1118951364 /nfs/dbraw/zinc/95/13/64/1118951364.db2.gz JNMPNNZGGNQEMM-GOSISDBHSA-N 0 1 294.398 3.662 20 0 CHADMN CCC[C@](C)(NCc1cnc(Cl)cn1)c1ccccc1 ZINC000934179293 1118955053 /nfs/dbraw/zinc/95/50/53/1118955053.db2.gz CKPWHTXBVLZHHU-INIZCTEOSA-N 0 1 289.810 3.935 20 0 CHADMN Cc1cc(Cl)ccc1CN[C@@H](C)c1cncs1 ZINC000934196729 1118962983 /nfs/dbraw/zinc/96/29/83/1118962983.db2.gz XHVBJCQKINYMOF-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN CCCCC1(N[C@H](C)c2ncc(Br)cn2)CC1 ZINC000934203790 1118967931 /nfs/dbraw/zinc/96/79/31/1118967931.db2.gz UNDDCNCBZIGQRS-SNVBAGLBSA-N 0 1 298.228 3.613 20 0 CHADMN COc1cc(C)nc(CN[C@@H]2CCCc3ccc(C)cc32)c1 ZINC000342293287 1118969150 /nfs/dbraw/zinc/96/91/50/1118969150.db2.gz OOFRRSVIRRFIOH-LJQANCHMSA-N 0 1 296.414 3.874 20 0 CHADMN Cc1cc(F)ncc1CN1CCC[C@@H](Nc2ccccc2)C1 ZINC000892121688 1118975271 /nfs/dbraw/zinc/97/52/71/1118975271.db2.gz VVTBVWWFJIMZSH-QGZVFWFLSA-N 0 1 299.393 3.606 20 0 CHADMN Cc1cc(CN2CCC[C@@H](Nc3ccccc3)C2)cnc1F ZINC000892122021 1118975375 /nfs/dbraw/zinc/97/53/75/1118975375.db2.gz XZVCLIALJITKNB-QGZVFWFLSA-N 0 1 299.393 3.606 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccn(C(F)F)n1)CCC2 ZINC000342328864 1118978732 /nfs/dbraw/zinc/97/87/32/1118978732.db2.gz YIEYEDIMKLDHSD-OAHLLOKOSA-N 0 1 291.345 3.754 20 0 CHADMN Fc1cc(F)c(CNCc2cccc3cc[nH]c32)cc1F ZINC000342328152 1118979118 /nfs/dbraw/zinc/97/91/18/1118979118.db2.gz BVPQVRCWEPGJDC-UHFFFAOYSA-N 0 1 290.288 3.875 20 0 CHADMN CC(C)(CF)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000472129428 1118985034 /nfs/dbraw/zinc/98/50/34/1118985034.db2.gz BOYOFIODTIGZCL-UHFFFAOYSA-N 0 1 267.241 3.682 20 0 CHADMN Cc1cnc(CN2CC(C)(C)CC(C)(C)C2)s1 ZINC000342340431 1118985483 /nfs/dbraw/zinc/98/54/83/1118985483.db2.gz QSHNGWGIXRFXAH-UHFFFAOYSA-N 0 1 252.427 3.710 20 0 CHADMN CCc1cnc(CN(C)CC2(CCCOC)CCC2)s1 ZINC000892149141 1118987933 /nfs/dbraw/zinc/98/79/33/1118987933.db2.gz YPBGELAKWSMADO-UHFFFAOYSA-N 0 1 296.480 3.734 20 0 CHADMN CCCCc1nc(CN(C(C)C)C2CCOCC2)cs1 ZINC000119685883 1119001201 /nfs/dbraw/zinc/00/12/01/1119001201.db2.gz MSPNPSCZPHQNDI-UHFFFAOYSA-N 0 1 296.480 3.875 20 0 CHADMN CCCn1nccc1CNCc1ccc2[nH]c(C)c(C)c2c1 ZINC000657330991 1119005743 /nfs/dbraw/zinc/00/57/43/1119005743.db2.gz JOAJKAYDQDVLHV-UHFFFAOYSA-N 0 1 296.418 3.681 20 0 CHADMN c1nc(C2CC2)oc1CN1CCC(c2ccccc2)CC1 ZINC000628128626 1128815483 /nfs/dbraw/zinc/81/54/83/1128815483.db2.gz OOAVMRGXEDLDGL-UHFFFAOYSA-N 0 1 282.387 3.932 20 0 CHADMN CCCN(Cc1cnc(C)o1)Cc1ccc(F)cc1 ZINC000628139895 1128816210 /nfs/dbraw/zinc/81/62/10/1128816210.db2.gz TWRZTORSKWWZSX-UHFFFAOYSA-N 0 1 262.328 3.534 20 0 CHADMN CC[C@H]1CCCC[C@@H]1CN(C)Cc1nccn1C(F)F ZINC000628136909 1128816791 /nfs/dbraw/zinc/81/67/91/1128816791.db2.gz QOOYHZANGXHEJQ-QWHCGFSZSA-N 0 1 285.382 3.926 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](Cc2cnc(C(C)(C)C)nc2)C1 ZINC000582172305 1119030570 /nfs/dbraw/zinc/03/05/70/1119030570.db2.gz CDIAHFCJGDWBMS-OAHLLOKOSA-N 0 1 275.440 3.642 20 0 CHADMN CN(c1ccccc1)c1ccc(CN2CC=CCC2)cn1 ZINC000684796088 1119035507 /nfs/dbraw/zinc/03/55/07/1119035507.db2.gz LXFBZUYJTHADOY-UHFFFAOYSA-N 0 1 279.387 3.611 20 0 CHADMN COC[C@@H](NCc1cc2c(cccc2C)[nH]1)c1ccccc1 ZINC000657368563 1119035516 /nfs/dbraw/zinc/03/55/16/1119035516.db2.gz SSJQIGZTUCVSHX-LJQANCHMSA-N 0 1 294.398 3.954 20 0 CHADMN CCc1cnc(CN(C)C[C@@H]2CCC[C@@H](C)C2)s1 ZINC001167558338 1119039481 /nfs/dbraw/zinc/03/94/81/1119039481.db2.gz MDTXBZVJYIFVSP-CHWSQXEVSA-N 0 1 266.454 3.964 20 0 CHADMN Cc1c[nH]c(CN[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)n1 ZINC000657377858 1119041561 /nfs/dbraw/zinc/04/15/61/1119041561.db2.gz XBAWUJLXDVWCMN-FUEDEBDSSA-N 0 1 289.810 3.858 20 0 CHADMN C[C@H](c1ccccn1)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000342492953 1119051007 /nfs/dbraw/zinc/05/10/07/1119051007.db2.gz BTANDIQIBFFXBR-CYBMUJFWSA-N 0 1 290.794 3.807 20 0 CHADMN C[C@@H](N[C@@H]1CCOC12CCCC2)c1c(F)cccc1F ZINC000934389646 1119057645 /nfs/dbraw/zinc/05/76/45/1119057645.db2.gz BKYOZEOZXQMXAV-BXUZGUMPSA-N 0 1 281.346 3.717 20 0 CHADMN C[C@@H](N[C@H]1CCOC12CCCC2)c1c(F)cccc1F ZINC000934389648 1119057875 /nfs/dbraw/zinc/05/78/75/1119057875.db2.gz BKYOZEOZXQMXAV-RISCZKNCSA-N 0 1 281.346 3.717 20 0 CHADMN Cc1ncc(CN(C)Cc2ccc3[nH]ccc3c2)s1 ZINC000628149438 1128818827 /nfs/dbraw/zinc/81/88/27/1128818827.db2.gz ZDUJJSDIUICGTH-UHFFFAOYSA-N 0 1 271.389 3.565 20 0 CHADMN COC(=O)c1ccc(CN[C@@H](C)c2cc(C)oc2C)cc1 ZINC000044729375 1119059978 /nfs/dbraw/zinc/05/99/78/1119059978.db2.gz ZEBWKERUSAWHIA-LBPRGKRZSA-N 0 1 287.359 3.534 20 0 CHADMN CCCCN(C)Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000158151465 1119065138 /nfs/dbraw/zinc/06/51/38/1119065138.db2.gz CVYMNWSUERADPV-UHFFFAOYSA-N 0 1 294.830 3.898 20 0 CHADMN CSc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000511110263 1119067875 /nfs/dbraw/zinc/06/78/75/1119067875.db2.gz MDPGEROFRANQMC-UHFFFAOYSA-N 0 1 298.455 3.731 20 0 CHADMN CCC[C@@H](C)C(=O)Nc1ccccc1Nc1ccncc1 ZINC000684850891 1119068790 /nfs/dbraw/zinc/06/87/90/1119068790.db2.gz TWTQLJMUOOTUMI-CYBMUJFWSA-N 0 1 283.375 3.622 20 0 CHADMN O=C(Nc1ccccc1Nc1ccncc1)[C@@H]1CC=CCC1 ZINC000684851093 1119069367 /nfs/dbraw/zinc/06/93/67/1119069367.db2.gz XZNUBQJSJPRRFU-CQSZACIVSA-N 0 1 293.370 3.542 20 0 CHADMN c1coc([C@H]2CCN(Cc3cc(-c4ccccc4)on3)C2)c1 ZINC000375698960 1119071771 /nfs/dbraw/zinc/07/17/71/1119071771.db2.gz UEKLYWYEZMLNDN-HNNXBMFYSA-N 0 1 294.354 3.924 20 0 CHADMN Cc1ncsc1-c1ccc(CN[C@@H](C)c2cn[nH]c2)cc1 ZINC000657418805 1119072051 /nfs/dbraw/zinc/07/20/51/1119072051.db2.gz LAMLYGHDTPBRBD-NSHDSACASA-N 0 1 298.415 3.692 20 0 CHADMN CC[C@H](NCc1cc(COC)cs1)c1c(C)noc1C ZINC000657419503 1119072754 /nfs/dbraw/zinc/07/27/54/1119072754.db2.gz UJTRDEHOPGJNGT-AWEZNQCLSA-N 0 1 294.420 3.740 20 0 CHADMN FCCC1C[C@H]2CC[C@@H](C1)N2Cc1ccncc1Cl ZINC000934453924 1119073443 /nfs/dbraw/zinc/07/34/43/1119073443.db2.gz ZXDWTKKCKIYJGQ-QXMXGUDHSA-N 0 1 282.790 3.838 20 0 CHADMN CC(C)n1ccnc1CN[C@H]1c2ccccc2CC[C@H]1C ZINC000657421671 1119074003 /nfs/dbraw/zinc/07/40/03/1119074003.db2.gz QPANJJFNKGVPEO-RDTXWAMCSA-N 0 1 283.419 3.877 20 0 CHADMN CC[C@@H]1CCCN([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000159160512 1119083365 /nfs/dbraw/zinc/08/33/65/1119083365.db2.gz NUIDSKHWEDFQGC-LSDHHAIUSA-N 0 1 299.418 3.843 20 0 CHADMN Cc1oc2ccccc2c1CNCc1c(C2CC2)cnn1C ZINC000657437303 1119088741 /nfs/dbraw/zinc/08/87/41/1119088741.db2.gz JMFHKQPXWCEKFB-UHFFFAOYSA-N 0 1 295.386 3.642 20 0 CHADMN Fc1ccc(CN2C[C@H]3CC[C@@H]2C3)cc1C(F)(F)F ZINC000092119972 1119089039 /nfs/dbraw/zinc/08/90/39/1119089039.db2.gz TXSMRJLAWPERFV-GXSJLCMTSA-N 0 1 273.273 3.829 20 0 CHADMN C[C@H]1CN(CCCOC(F)(F)F)[C@H]1c1ccccc1 ZINC001167576839 1119090660 /nfs/dbraw/zinc/09/06/60/1119090660.db2.gz OUJSRNMDVOFABK-WCQYABFASA-N 0 1 273.298 3.606 20 0 CHADMN C[C@@H](CC(F)(F)F)NCc1ccc(F)c(F)c1F ZINC000657436524 1119090818 /nfs/dbraw/zinc/09/08/18/1119090818.db2.gz OBTJYBHTNSPANN-LURJTMIESA-N 0 1 271.204 3.534 20 0 CHADMN c1cn(-c2ccccc2)nc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000342624234 1119104217 /nfs/dbraw/zinc/10/42/17/1119104217.db2.gz QYSJOWXGNDOBKI-MAUKXSAKSA-N 0 1 281.403 3.637 20 0 CHADMN CC/C=C/CCN[C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000342625976 1119104828 /nfs/dbraw/zinc/10/48/28/1119104828.db2.gz AEKUVNPPWQUNNA-GUOLPTJISA-N 0 1 296.436 3.635 20 0 CHADMN CC[C@H]1C[C@H](NCc2ccc(-c3ccco3)cc2F)CO1 ZINC000657456524 1119109417 /nfs/dbraw/zinc/10/94/17/1119109417.db2.gz ZWCPOOXTUPSAHD-GJZGRUSLSA-N 0 1 289.350 3.743 20 0 CHADMN CC[C@@H](NCc1cnc(C2CC2)nc1)c1csc(C)c1 ZINC000647254283 1119111472 /nfs/dbraw/zinc/11/14/72/1119111472.db2.gz BIWFTVKHZGRTMW-OAHLLOKOSA-N 0 1 287.432 3.965 20 0 CHADMN Cc1ncsc1-c1ccc(CN[C@@H](C)CF)cc1 ZINC000657467239 1119113953 /nfs/dbraw/zinc/11/39/53/1119113953.db2.gz YGEDYGRWEJOLCY-JTQLQIEISA-N 0 1 264.369 3.566 20 0 CHADMN FC(F)(F)C1=CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC000628183227 1128822476 /nfs/dbraw/zinc/82/24/76/1128822476.db2.gz URKVACHBDSMDTR-UHFFFAOYSA-N 0 1 280.293 3.862 20 0 CHADMN Fc1cccc2c1CCC[C@H]2NCc1ccnn1CC1CC1 ZINC000657476141 1119119132 /nfs/dbraw/zinc/11/91/32/1119119132.db2.gz BEMGUFAWFGVKLW-GOSISDBHSA-N 0 1 299.393 3.599 20 0 CHADMN C[C@@H]1CCCN(Cc2nc(C3CC3)cs2)CC1 ZINC000342671712 1119120319 /nfs/dbraw/zinc/12/03/19/1119120319.db2.gz STIVNBFFMHFMKT-LLVKDONJSA-N 0 1 250.411 3.643 20 0 CHADMN Cc1cc(Nc2ccnc(C(C)(C)C)c2)nc(C)n1 ZINC001213161029 1119127014 /nfs/dbraw/zinc/12/70/14/1119127014.db2.gz YRWZNGGQFURUTQ-UHFFFAOYSA-N 0 1 256.353 3.530 20 0 CHADMN Cc1cnc(CNCc2cc3ccccc3s2)s1 ZINC000133061226 1119128301 /nfs/dbraw/zinc/12/83/01/1119128301.db2.gz CLEGBOSNYUILOC-UHFFFAOYSA-N 0 1 274.414 3.956 20 0 CHADMN CC(C)=CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000065575820 1119134675 /nfs/dbraw/zinc/13/46/75/1119134675.db2.gz NHJKPTXEAISXHV-UHFFFAOYSA-N 0 1 281.315 3.728 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cnn(CC3CCC3)c2)c(C)n1 ZINC000934559493 1119135528 /nfs/dbraw/zinc/13/55/28/1119135528.db2.gz NYYDYGAPYDFECG-CQSZACIVSA-N 0 1 298.434 3.546 20 0 CHADMN c1ccc2c(c1)OCCC[C@H]2N[C@H]1CCCc2cccnc21 ZINC000684955536 1119140860 /nfs/dbraw/zinc/14/08/60/1119140860.db2.gz PIPLDJGDRNZZCF-SJORKVTESA-N 0 1 294.398 3.963 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@@H]1CCCc2cccnc21 ZINC000684957236 1119141505 /nfs/dbraw/zinc/14/15/05/1119141505.db2.gz HTFBNVYCIGHQBB-IAGOWNOFSA-N 0 1 294.398 3.745 20 0 CHADMN Cc1nc(CN2CC[C@](C)(CCc3ccccc3)C2)[nH]c1C ZINC000628186232 1128824320 /nfs/dbraw/zinc/82/43/20/1128824320.db2.gz CIWCGXDCZMPDPA-IBGZPJMESA-N 0 1 297.446 3.871 20 0 CHADMN OCCC[C@@H](N[C@H]1CCCc2cccnc21)c1ccccc1 ZINC000684957472 1119142729 /nfs/dbraw/zinc/14/27/29/1119142729.db2.gz VNTDJPDGLZNOFJ-MSOLQXFVSA-N 0 1 296.414 3.562 20 0 CHADMN COc1cccc(C2(N[C@H]3CCCc4cccnc43)CC2)c1 ZINC000684960774 1119144103 /nfs/dbraw/zinc/14/41/03/1119144103.db2.gz LBKZYJHEYNHYRM-KRWDZBQOSA-N 0 1 294.398 3.747 20 0 CHADMN CSc1ccccc1[C@@H]1CCCN1Cc1[nH]cnc1C ZINC001204593281 1119144281 /nfs/dbraw/zinc/14/42/81/1119144281.db2.gz VRYSMHGTBATWGA-HNNXBMFYSA-N 0 1 287.432 3.777 20 0 CHADMN Cc1cc2cc(CN[C@@H](C)c3ccns3)ccc2[nH]1 ZINC000926417861 1119147324 /nfs/dbraw/zinc/14/73/24/1119147324.db2.gz NLKKMJBEMNUYOA-NSHDSACASA-N 0 1 271.389 3.784 20 0 CHADMN Cc1cc2cc(CN[C@H](C)c3c(C)noc3C)ccc2[nH]1 ZINC000926418492 1119149292 /nfs/dbraw/zinc/14/92/92/1119149292.db2.gz SFZBZAZBKBXSIR-LLVKDONJSA-N 0 1 283.375 3.932 20 0 CHADMN Cc1csc(C(C)(C)NCc2ccc(C)cc2)n1 ZINC000116381598 1119149983 /nfs/dbraw/zinc/14/99/83/1119149983.db2.gz WOXYUIXCWGTPQY-UHFFFAOYSA-N 0 1 260.406 3.785 20 0 CHADMN C[C@H]1CC[C@H](C)N1C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000934584045 1119150978 /nfs/dbraw/zinc/15/09/78/1119150978.db2.gz VOSKJFYCZWLWJM-IUCAKERBSA-N 0 1 293.317 3.514 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2cnc(C)o2)o1 ZINC000628188515 1128825129 /nfs/dbraw/zinc/82/51/29/1128825129.db2.gz CPKRAZFDNTXXTH-XHDPSFHLSA-N 0 1 274.364 3.858 20 0 CHADMN C[C@@H]1CCN(Cc2cncc(Br)c2)C[C@@H](C)C1 ZINC000342752474 1119155806 /nfs/dbraw/zinc/15/58/06/1119155806.db2.gz OQMGQVAMSUROHL-NEPJUHHUSA-N 0 1 297.240 3.712 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000153053815 1119156242 /nfs/dbraw/zinc/15/62/42/1119156242.db2.gz GRAYLAQIAAATFN-MGPQQGTHSA-N 0 1 292.423 3.534 20 0 CHADMN CCc1nocc1CN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000660173764 1128826825 /nfs/dbraw/zinc/82/68/25/1128826825.db2.gz HRSAKSCPHLMQBU-CYBMUJFWSA-N 0 1 284.403 3.967 20 0 CHADMN CCC[N@@H+](CCc1cccc(F)c1)Cc1ncc(CC)o1 ZINC000075743367 1119177573 /nfs/dbraw/zinc/17/75/73/1119177573.db2.gz OJCOLKNDNCJDFR-UHFFFAOYSA-N 0 1 290.382 3.831 20 0 CHADMN CCCN(CCc1cccc(F)c1)Cc1ncc(CC)o1 ZINC000075743367 1119177578 /nfs/dbraw/zinc/17/75/78/1119177578.db2.gz OJCOLKNDNCJDFR-UHFFFAOYSA-N 0 1 290.382 3.831 20 0 CHADMN CCc1cnc(CN(C)[C@H](C)Cc2ccc(C)cc2)o1 ZINC000075752375 1119181584 /nfs/dbraw/zinc/18/15/84/1119181584.db2.gz QLOBTQNKHYHYNE-CQSZACIVSA-N 0 1 272.392 3.608 20 0 CHADMN CCc1cnc(CN(C)[C@@H](C)Cc2ccc(C)cc2)o1 ZINC000075752372 1119181667 /nfs/dbraw/zinc/18/16/67/1119181667.db2.gz QLOBTQNKHYHYNE-AWEZNQCLSA-N 0 1 272.392 3.608 20 0 CHADMN Cc1ncc(CNCCSc2ccc(Cl)cc2)o1 ZINC000628199775 1128827338 /nfs/dbraw/zinc/82/73/38/1128827338.db2.gz HOZFJHGTYXPQNF-UHFFFAOYSA-N 0 1 282.796 3.518 20 0 CHADMN Cc1ccc(CN2CCC(CC(F)(F)F)CC2)cn1 ZINC000342823147 1119196231 /nfs/dbraw/zinc/19/62/31/1119196231.db2.gz VFBHICDRGNTBNZ-UHFFFAOYSA-N 0 1 272.314 3.554 20 0 CHADMN CC(C)Cn1nccc1CNCc1ccc2occc2c1 ZINC000657584572 1119198156 /nfs/dbraw/zinc/19/81/56/1119198156.db2.gz HDKLOOHGNZQNNU-UHFFFAOYSA-N 0 1 283.375 3.575 20 0 CHADMN FC(F)(F)[C@@H](CNCc1cccs1)OC1CCCC1 ZINC000657586557 1119200299 /nfs/dbraw/zinc/20/02/99/1119200299.db2.gz KKLGCQSTLQXUKY-GFCCVEGCSA-N 0 1 293.354 3.728 20 0 CHADMN Cc1occc1CNC[C@H](OC1CCCC1)C(F)(F)F ZINC000657588121 1119201077 /nfs/dbraw/zinc/20/10/77/1119201077.db2.gz MVDBQZZFLXVYHA-ZDUSSCGKSA-N 0 1 291.313 3.568 20 0 CHADMN CC(C)(NCc1cnc(C2CC2)o1)c1ccccc1 ZINC000628209679 1128828576 /nfs/dbraw/zinc/82/85/76/1128828576.db2.gz OIMXUNUROJUMRE-UHFFFAOYSA-N 0 1 256.349 3.577 20 0 CHADMN Cc1ncsc1CN1CCC(CC(F)(F)F)CC1 ZINC000342838586 1119202911 /nfs/dbraw/zinc/20/29/11/1119202911.db2.gz PPBRHRLNCGPORR-UHFFFAOYSA-N 0 1 278.343 3.616 20 0 CHADMN C[C@@H](c1ccco1)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000078275613 1119205594 /nfs/dbraw/zinc/20/55/94/1119205594.db2.gz JNEUVZOKSAENON-LBPRGKRZSA-N 0 1 295.342 3.503 20 0 CHADMN CCc1ccc(CN[C@H](COC)c2cccc(OC)c2)cc1 ZINC000657612539 1119206575 /nfs/dbraw/zinc/20/65/75/1119206575.db2.gz YXDDXKVELOQDBZ-LJQANCHMSA-N 0 1 299.414 3.735 20 0 CHADMN COC[C@H](NCc1ccc(C)cc1C)c1cccc(OC)c1 ZINC000657612453 1119206703 /nfs/dbraw/zinc/20/67/03/1119206703.db2.gz YDNFXSZCTRTGKI-IBGZPJMESA-N 0 1 299.414 3.789 20 0 CHADMN CC(C)[C@H]1CCN1Cc1c[nH]nc1-c1c(F)cccc1F ZINC000342847562 1119206884 /nfs/dbraw/zinc/20/68/84/1119206884.db2.gz DFDISDBJTQWHHN-CQSZACIVSA-N 0 1 291.345 3.585 20 0 CHADMN COc1ccc(CN[C@@H](c2ccccc2F)C(C)C)cn1 ZINC000657614962 1119207667 /nfs/dbraw/zinc/20/76/67/1119207667.db2.gz LKJIFJVXOXELSC-QGZVFWFLSA-N 0 1 288.366 3.716 20 0 CHADMN COc1cc(CN(Cc2cccs2)C(C)C)ccn1 ZINC000342858125 1119211050 /nfs/dbraw/zinc/21/10/50/1119211050.db2.gz ALLPZMFLXYARDA-UHFFFAOYSA-N 0 1 276.405 3.562 20 0 CHADMN C[C@H](N[C@H]1CCc2ccccc2C1)c1nc(C(C)(C)C)no1 ZINC000237533547 1119213577 /nfs/dbraw/zinc/21/35/77/1119213577.db2.gz WYTBIJQHYIHXBV-WFASDCNBSA-N 0 1 299.418 3.575 20 0 CHADMN COc1cccc([C@H](C)NCc2ccc(C)cc2OC)c1 ZINC000119828212 1119223463 /nfs/dbraw/zinc/22/34/63/1119223463.db2.gz GHUDYJPWUUUHTJ-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc(N(C)C)c2)o1 ZINC000119937363 1119225358 /nfs/dbraw/zinc/22/53/58/1119225358.db2.gz AOQQQVXQXYANQQ-CYBMUJFWSA-N 0 1 258.365 3.505 20 0 CHADMN CC(C)(C)c1cc(Nc2ccnn2-c2ccccn2)ccn1 ZINC001213164461 1119227127 /nfs/dbraw/zinc/22/71/27/1119227127.db2.gz QOBDRBQGBHAZQD-UHFFFAOYSA-N 0 1 293.374 3.703 20 0 CHADMN CC(C)(C)c1cnc(CNC[C@]2(C)CC2(F)F)s1 ZINC000657664841 1119233623 /nfs/dbraw/zinc/23/36/23/1119233623.db2.gz KITSOLMDQPXLJD-LBPRGKRZSA-N 0 1 274.380 3.576 20 0 CHADMN CC(C)(C)c1cc(Nc2cn3ccccc3n2)ccn1 ZINC001213164551 1119239389 /nfs/dbraw/zinc/23/93/89/1119239389.db2.gz UCSJXTKAQVLJLS-UHFFFAOYSA-N 0 1 266.348 3.770 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@H](C)c2cncs2)c1 ZINC000120575860 1119243559 /nfs/dbraw/zinc/24/35/59/1119243559.db2.gz GQOOAMRAXVKNQV-VXGBXAGGSA-N 0 1 276.405 3.954 20 0 CHADMN C[C@H](c1c(F)cccc1F)N(C)CCC1CCOCC1 ZINC000120627231 1119244230 /nfs/dbraw/zinc/24/42/30/1119244230.db2.gz QAZJBEMAQZLXLU-GFCCVEGCSA-N 0 1 283.362 3.774 20 0 CHADMN Cc1nc(CN[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)cs1 ZINC000657707122 1119263950 /nfs/dbraw/zinc/26/39/50/1119263950.db2.gz GOYNOLKLYYVTSR-UONOGXRCSA-N 0 1 294.464 3.667 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2c3cc(C)ccc3C[C@H]2C)o1 ZINC000628236356 1128833574 /nfs/dbraw/zinc/83/35/74/1128833574.db2.gz YTOQKXCNNVLVKW-DIFFPNOSSA-N 0 1 270.376 3.623 20 0 CHADMN CCC(C)(C)NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000162226432 1119271332 /nfs/dbraw/zinc/27/13/32/1119271332.db2.gz YQKLLMXQPLLJLB-UHFFFAOYSA-N 0 1 296.321 3.811 20 0 CHADMN Cc1nn(-c2ccc(Cl)cc2)cc1CNC(C)(C)CF ZINC000349811528 1119271623 /nfs/dbraw/zinc/27/16/23/1119271623.db2.gz HKXPMGSJLFEECG-UHFFFAOYSA-N 0 1 295.789 3.672 20 0 CHADMN CO[C@H]1CCCN(Cc2ccsc2C(F)(F)F)CC1 ZINC000628236612 1128833983 /nfs/dbraw/zinc/83/39/83/1128833983.db2.gz ITIWKYBYCGNPJD-NSHDSACASA-N 0 1 293.354 3.768 20 0 CHADMN CCCc1cccc(CNCc2c(C3CCC3)cnn2C)c1 ZINC000657719638 1119276109 /nfs/dbraw/zinc/27/61/09/1119276109.db2.gz XFSIAOBFBWSHAZ-UHFFFAOYSA-N 0 1 297.446 3.930 20 0 CHADMN CCCc1cc(Nc2ccc3[nH]c(C)[nH+]c3c2)on1 ZINC001213070388 1128834455 /nfs/dbraw/zinc/83/44/55/1128834455.db2.gz NRNRZHXMDBTFJZ-UHFFFAOYSA-N 0 1 256.309 3.555 20 0 CHADMN CCCc1cc(Nc2ccc3nc(C)[nH]c3c2)on1 ZINC001213070388 1128834461 /nfs/dbraw/zinc/83/44/61/1128834461.db2.gz NRNRZHXMDBTFJZ-UHFFFAOYSA-N 0 1 256.309 3.555 20 0 CHADMN COc1ccc([C@H](C)N[C@@H]2CCCc3cccnc32)cc1 ZINC000091661920 1119280373 /nfs/dbraw/zinc/28/03/73/1119280373.db2.gz HWIWZEQASCSYJM-SUMWQHHRSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1[nH]c2ccc(Nc3cc(C(F)(F)F)no3)cc2[nH+]1 ZINC001213070370 1128834967 /nfs/dbraw/zinc/83/49/67/1128834967.db2.gz MYDHJLHZLHCOEZ-UHFFFAOYSA-N 0 1 282.225 3.622 20 0 CHADMN Cc1nc2ccc(Nc3cc(C(F)(F)F)no3)cc2[nH]1 ZINC001213070370 1128834971 /nfs/dbraw/zinc/83/49/71/1128834971.db2.gz MYDHJLHZLHCOEZ-UHFFFAOYSA-N 0 1 282.225 3.622 20 0 CHADMN C[N@H+](Cc1c(F)cccc1Cl)C[C@@H]1CC1(C)C ZINC001203408625 1119287130 /nfs/dbraw/zinc/28/71/30/1119287130.db2.gz DGNCQNGCVHBPFU-JTQLQIEISA-N 0 1 255.764 3.957 20 0 CHADMN CN(Cc1c(F)cccc1Cl)C[C@@H]1CC1(C)C ZINC001203408625 1119287134 /nfs/dbraw/zinc/28/71/34/1119287134.db2.gz DGNCQNGCVHBPFU-JTQLQIEISA-N 0 1 255.764 3.957 20 0 CHADMN Cc1cnc([C@H](C)CN[C@H](C)c2csc(C)n2)s1 ZINC000349830958 1119292921 /nfs/dbraw/zinc/29/29/21/1119292921.db2.gz GMPAQFNGPMQLPH-PSASIEDQSA-N 0 1 281.450 3.671 20 0 CHADMN CC[C@H](C)[C@@H](NC(=O)C=CC1CC1)c1nc2ccccc2[nH]1 ZINC000079618191 1119296754 /nfs/dbraw/zinc/29/67/54/1119296754.db2.gz VIPMUWHESQPGBC-DABLYKSOSA-N 0 1 297.402 3.733 20 0 CHADMN Cc1nc2ccc(Nc3nc4c(s3)CCC4)cc2[nH]1 ZINC001213070545 1128836439 /nfs/dbraw/zinc/83/64/39/1128836439.db2.gz VKJSEXIOIYCVRU-UHFFFAOYSA-N 0 1 270.361 3.560 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)C3CCCC3)n[nH]2)c(C)c1 ZINC000187776079 1119310142 /nfs/dbraw/zinc/31/01/42/1119310142.db2.gz JCDIGYZPRVECPY-UHFFFAOYSA-N 0 1 297.402 3.708 20 0 CHADMN Cc1noc(C)c1CN[C@H]1CCc2ccc(Cl)cc21 ZINC000343102291 1119311317 /nfs/dbraw/zinc/31/13/17/1119311317.db2.gz HSRLZNQBDGZVLZ-HNNXBMFYSA-N 0 1 276.767 3.722 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1cccc(F)c1 ZINC000124292213 1119312457 /nfs/dbraw/zinc/31/24/57/1119312457.db2.gz SNKHTSRYNULZQC-GFCCVEGCSA-N 0 1 289.398 3.936 20 0 CHADMN CC(C)Oc1ccccc1CN(C)[C@H](CO)c1ccccc1 ZINC000343113540 1119316243 /nfs/dbraw/zinc/31/62/43/1119316243.db2.gz FYFNCQGMXCVJQD-GOSISDBHSA-N 0 1 299.414 3.639 20 0 CHADMN C[C@H](NCc1cccnc1N(C)C)c1cc2ccccc2o1 ZINC000154808022 1119319466 /nfs/dbraw/zinc/31/94/66/1119319466.db2.gz BMNBAJSEAUNJCQ-ZDUSSCGKSA-N 0 1 295.386 3.745 20 0 CHADMN CCc1nc([C@@H](C)NC[C@H]2CC2(Cl)Cl)cs1 ZINC000309456263 1119320117 /nfs/dbraw/zinc/32/01/17/1119320117.db2.gz MNWAWPGSQLHQHN-HTQZYQBOSA-N 0 1 279.236 3.550 20 0 CHADMN CC(C)(C)CCCCC(=O)Nc1ccc2[nH]nnc2c1 ZINC000583269335 1119331117 /nfs/dbraw/zinc/33/11/17/1119331117.db2.gz UEOLJZFAUPRZTI-UHFFFAOYSA-N 0 1 274.368 3.503 20 0 CHADMN CC(C)CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000073396127 1119331963 /nfs/dbraw/zinc/33/19/63/1119331963.db2.gz JQBMARGCPCJHGE-CMDGGOBGSA-N 0 1 259.378 3.723 20 0 CHADMN Fc1ccc2nc(CNCC3=CCCC3)sc2c1 ZINC000657749609 1119335535 /nfs/dbraw/zinc/33/55/35/1119335535.db2.gz HDEZEWVXWBUKGS-UHFFFAOYSA-N 0 1 262.353 3.635 20 0 CHADMN Clc1ccc(CN[C@H]2CCc3cccnc32)cc1 ZINC000226802979 1119339099 /nfs/dbraw/zinc/33/90/99/1119339099.db2.gz PVADQDGJGPOPFF-AWEZNQCLSA-N 0 1 258.752 3.512 20 0 CHADMN COc1ccc2nc(CNCC3=CCCC3)sc2c1 ZINC000657749953 1119339746 /nfs/dbraw/zinc/33/97/46/1119339746.db2.gz VGHRAIQXNOETBJ-UHFFFAOYSA-N 0 1 274.389 3.505 20 0 CHADMN CC(C)C[N@@H+](CC[C@@H](C(=O)[O-])c1ccccc1)C(C)C ZINC000583327377 1119340789 /nfs/dbraw/zinc/34/07/89/1119340789.db2.gz LSBRHQGYGFSPML-MRXNPFEDSA-N 0 1 277.408 3.611 20 0 CHADMN CN(C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)C(C)(C)C ZINC000565029953 1119344881 /nfs/dbraw/zinc/34/48/81/1119344881.db2.gz TUZOHNUORCRCSZ-UHFFFAOYSA-N 0 1 291.782 3.601 20 0 CHADMN CCN(CCC(F)(F)F)Cc1c[nH]nc1-c1ccccc1 ZINC000092737692 1119346769 /nfs/dbraw/zinc/34/67/69/1119346769.db2.gz FVDYLRSUYVWDFM-UHFFFAOYSA-N 0 1 297.324 3.851 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@@H](C)c1c(C)noc1C)CC2 ZINC000092837945 1119350903 /nfs/dbraw/zinc/35/09/03/1119350903.db2.gz KWJLZPPZVHUFOZ-MGPLVRAMSA-N 0 1 286.375 3.638 20 0 CHADMN CCCNc1ccc(CNc2ncnc3ccsc32)cc1 ZINC000343231029 1119359093 /nfs/dbraw/zinc/35/90/93/1119359093.db2.gz NHHZYDQTKRAYQM-UHFFFAOYSA-N 0 1 298.415 3.547 20 0 CHADMN Clc1ccc(CCCCNCc2ccon2)s1 ZINC000634979441 1119359371 /nfs/dbraw/zinc/35/93/71/1119359371.db2.gz DMFCLAHRLBWHDC-UHFFFAOYSA-N 0 1 270.785 3.502 20 0 CHADMN Cc1ccc(CN2CCC(C3CC3)CC2)c(Cl)n1 ZINC000724811422 1119359889 /nfs/dbraw/zinc/35/98/89/1119359889.db2.gz ILOBXFJICIWQMZ-UHFFFAOYSA-N 0 1 264.800 3.665 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@H](C)Oc2cccc(Cl)c2)n1 ZINC000051018757 1119363410 /nfs/dbraw/zinc/36/34/10/1119363410.db2.gz LJXAYZBIXQPIRV-JOYOIKCWSA-N 0 1 295.770 3.519 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@@H]1CCc2ccc(C)cc21 ZINC000126749604 1119364446 /nfs/dbraw/zinc/36/44/46/1119364446.db2.gz SCXCGXYZSFTHNX-BDJLRTHQSA-N 0 1 270.376 3.938 20 0 CHADMN CCSCCN[C@@H](c1ccco1)c1ccccc1 ZINC000364839697 1119365218 /nfs/dbraw/zinc/36/52/18/1119365218.db2.gz NLCPTNHDPJIVJA-OAHLLOKOSA-N 0 1 261.390 3.712 20 0 CHADMN C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2F)C(C)(C)C1 ZINC000472290296 1119366793 /nfs/dbraw/zinc/36/67/93/1119366793.db2.gz BZMQMSNFWWGZTI-SNVBAGLBSA-N 0 1 298.789 3.538 20 0 CHADMN CCC[N@@H+](Cc1ncccc1[O-])[C@H]1CCc2ccccc2C1 ZINC000583526700 1119372022 /nfs/dbraw/zinc/37/20/22/1119372022.db2.gz XLTZXJXDJUCMFU-KRWDZBQOSA-N 0 1 296.414 3.557 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(CC2CCCCC2)no1 ZINC000386676628 1119374064 /nfs/dbraw/zinc/37/40/64/1119374064.db2.gz OZYRUKVDLCQAAT-ZDUSSCGKSA-N 0 1 279.428 3.889 20 0 CHADMN C[C@H]1Cc2ccc(F)cc2[C@H]1NCc1ccccc1F ZINC000151041842 1119375443 /nfs/dbraw/zinc/37/54/43/1119375443.db2.gz SIAJMQZSJYTZGK-GTNSWQLSSA-N 0 1 273.326 3.988 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCCCCC(=O)[O-] ZINC000583569665 1119378182 /nfs/dbraw/zinc/37/81/82/1119378182.db2.gz IOVUBWGVVBMMLH-ZBFHGGJFSA-N 0 1 275.392 3.509 20 0 CHADMN CC(C)c1nnc(CN[C@H]2C[C@H](C)CC[C@H]2C(C)C)o1 ZINC000245938602 1119386007 /nfs/dbraw/zinc/38/60/07/1119386007.db2.gz JLCLQEKGMYLJCV-RDBSUJKOSA-N 0 1 279.428 3.743 20 0 CHADMN Cc1cc(F)ccc1[C@H]1CCCN1Cc1cccnc1 ZINC000449735780 1119387685 /nfs/dbraw/zinc/38/76/85/1119387685.db2.gz VATOUXNKGYTKHQ-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN O=C([O-])C[N@@H+](Cc1ccc(C2CCCC2)cc1)C1CCC1 ZINC000566630451 1119390742 /nfs/dbraw/zinc/39/07/42/1119390742.db2.gz WDOQTKREQQBUMU-UHFFFAOYSA-N 0 1 287.403 3.783 20 0 CHADMN CC[C@@H](NCc1cc(C)cs1)c1cccc(OC)n1 ZINC000926519907 1119393933 /nfs/dbraw/zinc/39/39/33/1119393933.db2.gz NLTODEVQURDCJY-CYBMUJFWSA-N 0 1 276.405 3.701 20 0 CHADMN CC[C@H](NCc1cc(C)cs1)c1cccc(OC)n1 ZINC000926519909 1119393946 /nfs/dbraw/zinc/39/39/46/1119393946.db2.gz NLTODEVQURDCJY-ZDUSSCGKSA-N 0 1 276.405 3.701 20 0 CHADMN Cc1ccccc1NC(=O)[C@H](C)N1CC[C@@H](C)C(C)(C)C1 ZINC000583685977 1119394665 /nfs/dbraw/zinc/39/46/65/1119394665.db2.gz HCGHUSQITPDMGJ-CABCVRRESA-N 0 1 288.435 3.690 20 0 CHADMN Clc1cccc2c1CN(CCc1ccccc1)C2 ZINC000561919477 1119395348 /nfs/dbraw/zinc/39/53/48/1119395348.db2.gz SNMSRWTVUWLINQ-UHFFFAOYSA-N 0 1 257.764 3.898 20 0 CHADMN Cc1cc(CN2CCC3(CC3)C2)cc(C(F)(F)F)c1 ZINC001143450733 1119398773 /nfs/dbraw/zinc/39/87/73/1119398773.db2.gz IOWYQVBTRCCQKP-UHFFFAOYSA-N 0 1 269.310 4.000 20 0 CHADMN c1cn(C2CCCC2)nc1CN(C1CCC1)C1CCC1 ZINC000429122953 1119407715 /nfs/dbraw/zinc/40/77/15/1119407715.db2.gz NKIBJKXHPJDHFT-UHFFFAOYSA-N 0 1 273.424 3.905 20 0 CHADMN CCN(CC(=O)N(CC)c1ccccc1)Cc1ccccc1 ZINC000243312636 1119409977 /nfs/dbraw/zinc/40/99/77/1119409977.db2.gz LIPRYIAZAKPGNH-UHFFFAOYSA-N 0 1 296.414 3.562 20 0 CHADMN CC(C)(C)C(F)(F)CNC1CCC(F)(F)CC1 ZINC000657793464 1119412556 /nfs/dbraw/zinc/41/25/56/1119412556.db2.gz UNWWPQWLTNZFEU-UHFFFAOYSA-N 0 1 255.299 3.835 20 0 CHADMN c1cc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cs1 ZINC000583784510 1119412209 /nfs/dbraw/zinc/41/22/09/1119412209.db2.gz GXWNWFBJFNIDNA-QGZVFWFLSA-N 0 1 285.412 3.718 20 0 CHADMN C/C(=C\c1ccc(Cl)cc1)CN[C@@H](C)c1nccn1C ZINC000657794769 1119415314 /nfs/dbraw/zinc/41/53/14/1119415314.db2.gz WDARGKSDKBMSEY-XSNHNAGMSA-N 0 1 289.810 3.828 20 0 CHADMN c1coc([C@H]2N(Cc3cccc4n[nH]cc43)CC23CCC3)c1 ZINC000628301307 1128844583 /nfs/dbraw/zinc/84/45/83/1128844583.db2.gz PPUHKRLLZYCDII-QGZVFWFLSA-N 0 1 293.370 3.883 20 0 CHADMN C[C@H](NCc1cnn(C)c1)c1ccc(-c2ccccc2)o1 ZINC000151156607 1119417156 /nfs/dbraw/zinc/41/71/56/1119417156.db2.gz HDILKLOTQONTQO-ZDUSSCGKSA-N 0 1 281.359 3.531 20 0 CHADMN FC(F)(F)CCCCN1CCN(c2ccccc2)CC1 ZINC000130740798 1119418618 /nfs/dbraw/zinc/41/86/18/1119418618.db2.gz WFEJIDHJHVEYPN-UHFFFAOYSA-N 0 1 286.341 3.541 20 0 CHADMN COc1ccccc1OC[C@H](C)CNc1cccc(C)n1 ZINC000158278956 1119439951 /nfs/dbraw/zinc/43/99/51/1119439951.db2.gz XHRHALKSKUQDHD-CYBMUJFWSA-N 0 1 286.375 3.526 20 0 CHADMN Cc1ccccc1C1(N[C@@H](C)c2cnc(C)nc2C)CC1 ZINC000647316239 1119441234 /nfs/dbraw/zinc/44/12/34/1119441234.db2.gz WGFOXNSVAQCSMU-AWEZNQCLSA-N 0 1 281.403 3.742 20 0 CHADMN c1sc(CN2CCC[C@@H]3CCC[C@@H]32)nc1C1CC1 ZINC000343529118 1119443384 /nfs/dbraw/zinc/44/33/84/1119443384.db2.gz MAMLVZUOUZOXEX-JSGCOSHPSA-N 0 1 262.422 3.785 20 0 CHADMN C[C@@H]1CCC[C@@H]1CN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000343526753 1119443554 /nfs/dbraw/zinc/44/35/54/1119443554.db2.gz ZAQGPKVJUMTDOA-FVQBIDKESA-N 0 1 269.392 3.525 20 0 CHADMN C[C@H](N(C)Cc1nc(C2CC2)cs1)C1(C)CC1 ZINC000343533596 1119445797 /nfs/dbraw/zinc/44/57/97/1119445797.db2.gz GYYMLLUACPYLIW-JTQLQIEISA-N 0 1 250.411 3.641 20 0 CHADMN FC(F)(F)C[C@@H]1CCCN(Cc2cnc(C3CC3)o2)C1 ZINC000628315668 1128846604 /nfs/dbraw/zinc/84/66/04/1128846604.db2.gz RWKVXEUKARKSIW-JTQLQIEISA-N 0 1 288.313 3.716 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccccc2-n2cccn2)o1 ZINC000151364730 1119452241 /nfs/dbraw/zinc/45/22/41/1119452241.db2.gz NHNAFLIHCWQJIC-AWEZNQCLSA-N 0 1 295.386 3.879 20 0 CHADMN C[C@H](O)[C@@H](NCc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000657818577 1119457820 /nfs/dbraw/zinc/45/78/20/1119457820.db2.gz RCZZWESNFFGVCJ-MEDUHNTESA-N 0 1 293.769 3.691 20 0 CHADMN C[C@H](O)[C@@H](N[C@@H](C)c1ccccc1F)c1ccccc1 ZINC000657818985 1119459547 /nfs/dbraw/zinc/45/95/47/1119459547.db2.gz PHZZMSYTJFXEPF-GDZNZVCISA-N 0 1 273.351 3.598 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1cnc2cccc(C)n12 ZINC000584021448 1119461019 /nfs/dbraw/zinc/46/10/19/1119461019.db2.gz VDQNZVACCQUPNC-QGZVFWFLSA-N 0 1 294.402 3.621 20 0 CHADMN COCc1ccc(CNCc2csc3ccccc23)o1 ZINC000343582423 1119462204 /nfs/dbraw/zinc/46/22/04/1119462204.db2.gz PFRBPECJWNSYJJ-UHFFFAOYSA-N 0 1 287.384 3.931 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCc2ccccc2[C@@H]1C ZINC000343584186 1119462947 /nfs/dbraw/zinc/46/29/47/1119462947.db2.gz BGWRWHFJYBJNGN-HNNXBMFYSA-N 0 1 283.419 3.892 20 0 CHADMN C[C@H](O)[C@H](NCc1ccccc1Cl)c1ccccc1 ZINC000657821021 1119464786 /nfs/dbraw/zinc/46/47/86/1119464786.db2.gz YELHCPCROIWKRO-LRDDRELGSA-N 0 1 275.779 3.552 20 0 CHADMN CCN(C[C@@H]1CCCO1)[C@H](C)c1cc(F)ccc1F ZINC000343591504 1119465064 /nfs/dbraw/zinc/46/50/64/1119465064.db2.gz CIDROUVBAGJVQP-YPMHNXCESA-N 0 1 269.335 3.527 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCc2c(C)cc(C)cc2C1 ZINC000343616765 1119472073 /nfs/dbraw/zinc/47/20/73/1119472073.db2.gz JAFDHDFJZKVIQZ-UHFFFAOYSA-N 0 1 297.446 3.948 20 0 CHADMN Cc1nc(CN[C@@H]2CCC[C@@H]2c2ccccc2)oc1C ZINC000133707266 1119474535 /nfs/dbraw/zinc/47/45/35/1119474535.db2.gz MWNCLPHMIMVHHF-HZPDHXFCSA-N 0 1 270.376 3.717 20 0 CHADMN CN(CC(=O)Nc1cccc(C(F)F)c1)CC(C)(C)C ZINC000635471638 1119475625 /nfs/dbraw/zinc/47/56/25/1119475625.db2.gz YQQXNXJTULEJAU-UHFFFAOYSA-N 0 1 284.350 3.541 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CCN1Cc1nccs1 ZINC000343666767 1119483393 /nfs/dbraw/zinc/48/33/93/1119483393.db2.gz YFXACQCQWVKUQZ-ZFWWWQNUSA-N 0 1 272.417 3.911 20 0 CHADMN CCCn1c(CN(C)CCCSC)nc2ccccc21 ZINC000343672991 1119484498 /nfs/dbraw/zinc/48/44/98/1119484498.db2.gz HHMWTKDJDIWUDT-UHFFFAOYSA-N 0 1 291.464 3.631 20 0 CHADMN OCCC1CCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000401005394 1119488405 /nfs/dbraw/zinc/48/84/05/1119488405.db2.gz JGKGOTIEYJITQU-UHFFFAOYSA-N 0 1 288.218 3.588 20 0 CHADMN CC[C@@H](NCc1cnc(OC)s1)c1ccc(C)cc1 ZINC000311421280 1119492983 /nfs/dbraw/zinc/49/29/83/1119492983.db2.gz AOJOHDYUMXTCIW-CQSZACIVSA-N 0 1 276.405 3.701 20 0 CHADMN FC(F)(F)[C@H]1CN([C@@H]2C=CCCC2)C[C@H]1C(F)(F)F ZINC000076181165 1119497606 /nfs/dbraw/zinc/49/76/06/1119497606.db2.gz YTWDMIOWLSJGJW-BBBLOLIVSA-N 0 1 287.247 3.768 20 0 CHADMN CC(C)COc1ccccc1CN[C@H]1CCCn2nccc21 ZINC000657842265 1119505711 /nfs/dbraw/zinc/50/57/11/1119505711.db2.gz CBVMDQJQDCSEFK-INIZCTEOSA-N 0 1 299.418 3.543 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000081180372 1119510190 /nfs/dbraw/zinc/51/01/90/1119510190.db2.gz JEHDMADMUIVPOS-BLLLJJGKSA-N 0 1 285.391 3.604 20 0 CHADMN O=C(c1ccc2cncn2c1)N1CCCC2(CCCC2)CC1 ZINC000617563276 1128851059 /nfs/dbraw/zinc/85/10/59/1128851059.db2.gz MBMQIDCSIHYUQY-UHFFFAOYSA-N 0 1 297.402 3.521 20 0 CHADMN COC[C@H](N[C@H]1CCc2c1cccc2OC)c1ccccc1 ZINC000089668760 1119540669 /nfs/dbraw/zinc/54/06/69/1119540669.db2.gz AHYJSUBXEZPJJC-ROUUACIJSA-N 0 1 297.398 3.660 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@H]1COc2ccc(C)cc21 ZINC000090452838 1119544228 /nfs/dbraw/zinc/54/42/28/1119544228.db2.gz VIYGDUNNYGDIBS-IRXDYDNUSA-N 0 1 295.382 3.714 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H]1CCc3ccccc31)CO2 ZINC000090452215 1119544744 /nfs/dbraw/zinc/54/47/44/1119544744.db2.gz JXLGEADZLLBDIS-DLBZAZTESA-N 0 1 265.356 3.706 20 0 CHADMN Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cc2ncccc2[O-])c1 ZINC000584436803 1119545872 /nfs/dbraw/zinc/54/58/72/1119545872.db2.gz CCXLEWCSIPOBHM-KRWDZBQOSA-N 0 1 282.387 3.741 20 0 CHADMN Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cc2ncccc2[O-])c1 ZINC000584436803 1119545874 /nfs/dbraw/zinc/54/58/74/1119545874.db2.gz CCXLEWCSIPOBHM-KRWDZBQOSA-N 0 1 282.387 3.741 20 0 CHADMN CC(C)c1noc(CN2CC[C@H](Cc3ccccc3)[C@@H]2C)n1 ZINC000472322685 1119546121 /nfs/dbraw/zinc/54/61/21/1119546121.db2.gz ROSYHJYJMPJLDK-GOEBONIOSA-N 0 1 299.418 3.646 20 0 CHADMN CCOc1ccccc1CN[C@H](c1cccnc1)C(C)C ZINC000091305206 1119555058 /nfs/dbraw/zinc/55/50/58/1119555058.db2.gz RWNWSKVGMOQEGH-SFHVURJKSA-N 0 1 284.403 3.967 20 0 CHADMN Cc1nc(CN[C@H](C)C(C)(C)C(F)F)nc2ccccc12 ZINC000657865655 1119558703 /nfs/dbraw/zinc/55/87/03/1119558703.db2.gz SJWPVLFDPIENHC-LLVKDONJSA-N 0 1 293.361 3.708 20 0 CHADMN COCc1ccc(CN(CCC(F)(F)F)CC2CC2)o1 ZINC000091901409 1119559885 /nfs/dbraw/zinc/55/98/85/1119559885.db2.gz MDZQJFIXTJRCIF-UHFFFAOYSA-N 0 1 291.313 3.590 20 0 CHADMN CSc1ccc(C)c(NC(=O)[C@H]2CCCN2C(C)C)c1 ZINC000935246573 1119563292 /nfs/dbraw/zinc/56/32/92/1119563292.db2.gz GGGRZNSSLFPCMA-OAHLLOKOSA-N 0 1 292.448 3.528 20 0 CHADMN CCOc1cccc(CN2CC[C@H](C)C2)c1OC(F)F ZINC000092471273 1119563409 /nfs/dbraw/zinc/56/34/09/1119563409.db2.gz BURSZVAEVJNEGS-NSHDSACASA-N 0 1 285.334 3.529 20 0 CHADMN Cc1ncc(CN[C@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000628213528 1119563736 /nfs/dbraw/zinc/56/37/36/1119563736.db2.gz NNCAWAQGPXPEGV-INIZCTEOSA-N 0 1 274.339 3.753 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cccc3c1OCO3)CCC2 ZINC000093116120 1119569764 /nfs/dbraw/zinc/56/97/64/1119569764.db2.gz PELNAFJRSPJCIO-INIZCTEOSA-N 0 1 299.345 3.722 20 0 CHADMN COCc1ccc(CN[C@H]2CCCc3ccc(F)cc32)o1 ZINC000093116284 1119570104 /nfs/dbraw/zinc/57/01/04/1119570104.db2.gz CZYKXUQDJOEYAK-KRWDZBQOSA-N 0 1 289.350 3.732 20 0 CHADMN c1cc([C@@H]2CN(C[C@@H]3C[C@H]3c3ccccc3)CCO2)cs1 ZINC000093768393 1119571883 /nfs/dbraw/zinc/57/18/83/1119571883.db2.gz OACHMUQHNOBPTL-BZSNNMDCSA-N 0 1 299.439 3.925 20 0 CHADMN COc1cc(F)cc(CNCc2ccc(C)c(F)c2)c1 ZINC000093970918 1119573733 /nfs/dbraw/zinc/57/37/33/1119573733.db2.gz BIFCIZMAVRPLTM-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN Cc1cc(-c2nc(-c3cc4nc[nH]c4c(C)c3)no2)cs1 ZINC000685315648 1119578661 /nfs/dbraw/zinc/57/86/61/1119578661.db2.gz FVXKUIAVSMAJAX-UHFFFAOYSA-N 0 1 296.355 3.958 20 0 CHADMN CC(C)(C)C[C@@H]1CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000143996530 1119582452 /nfs/dbraw/zinc/58/24/52/1119582452.db2.gz GPOOWCVRNQSWJT-ZDUSSCGKSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1ncc(CN[C@H](C)c2ccc(C(F)F)nc2)s1 ZINC000657873269 1119586948 /nfs/dbraw/zinc/58/69/48/1119586948.db2.gz WPFPUNXAMHAYAB-MRVPVSSYSA-N 0 1 283.347 3.635 20 0 CHADMN Cc1cc(CC(=O)Nc2ccccc2-c2ccccc2)n[nH]1 ZINC000151920165 1119590338 /nfs/dbraw/zinc/59/03/38/1119590338.db2.gz RILVUOCCPXHAOI-UHFFFAOYSA-N 0 1 291.354 3.566 20 0 CHADMN Cc1ccc(-c2nc(CN3C[C@@H]4C[C@@H]4C3)cs2)cc1 ZINC000628409725 1128856950 /nfs/dbraw/zinc/85/69/50/1128856950.db2.gz YBMBJCBKAUVKHW-OKILXGFUSA-N 0 1 270.401 3.570 20 0 CHADMN Cc1cc(CN2CCOc3ccccc3[C@@H]2C)cc(C)c1O ZINC000685411163 1119603779 /nfs/dbraw/zinc/60/37/79/1119603779.db2.gz SHPNPMMPXGWVMS-HNNXBMFYSA-N 0 1 297.398 3.965 20 0 CHADMN CCn1c2ccccc2nc1CN1CCC2(CCC2)CC1 ZINC000685444247 1119608341 /nfs/dbraw/zinc/60/83/41/1119608341.db2.gz OMYMWCGPTCJNNM-UHFFFAOYSA-N 0 1 283.419 3.822 20 0 CHADMN CC(C)N(C(=O)c1cccc(F)c1O)c1ccc(F)cc1 ZINC001125737377 1119609094 /nfs/dbraw/zinc/60/90/94/1119609094.db2.gz UOHLIECKDUPDPW-UHFFFAOYSA-N 0 1 291.297 3.726 20 0 CHADMN Cc1cccc([C@H](C)C[NH2+]Cc2c(F)ccc([O-])c2F)c1 ZINC000511300040 1119622052 /nfs/dbraw/zinc/62/20/52/1119622052.db2.gz JTOLWQDOIWCUSK-GFCCVEGCSA-N 0 1 291.341 3.872 20 0 CHADMN C[C@@H](CCN1Cc2ccc(O)cc2C1)c1ccccc1 ZINC000628419121 1128858641 /nfs/dbraw/zinc/85/86/41/1128858641.db2.gz MTLNXMBWKMPGCX-AWEZNQCLSA-N 0 1 267.372 3.902 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@H]1CCc2cc(F)ccc21 ZINC000131226440 1119629265 /nfs/dbraw/zinc/62/92/65/1119629265.db2.gz MMOPMLHDUXFANP-VFZGTOFNSA-N 0 1 274.339 3.769 20 0 CHADMN Cc1nc(C)c(CN(C)[C@H]2CCCc3ccccc32)o1 ZINC000685560681 1119630352 /nfs/dbraw/zinc/63/03/52/1119630352.db2.gz ZULXSTZWTSHRRL-INIZCTEOSA-N 0 1 270.376 3.801 20 0 CHADMN Cc1nc(C)c(CN2CCC(OC3CCCCC3)CC2)o1 ZINC000685562334 1119630682 /nfs/dbraw/zinc/63/06/82/1119630682.db2.gz VVOGJJXVNRQUQT-UHFFFAOYSA-N 0 1 292.423 3.605 20 0 CHADMN CCCN(Cc1oc(C)nc1C)[C@@H]1CCCc2cccnc21 ZINC000685573199 1119632772 /nfs/dbraw/zinc/63/27/72/1119632772.db2.gz UQQOLXZHIJDTKW-MRXNPFEDSA-N 0 1 299.418 3.976 20 0 CHADMN CC[N@@H+](Cc1oc(C)nc1C)[C@H](C)Cc1ccsc1 ZINC000685573999 1119633837 /nfs/dbraw/zinc/63/38/37/1119633837.db2.gz BYODKTCTTGGFFD-LLVKDONJSA-N 0 1 278.421 3.806 20 0 CHADMN CCC[C@@H](NCc1ccnc(OC)c1F)c1ccccc1 ZINC000892418370 1119659716 /nfs/dbraw/zinc/65/97/16/1119659716.db2.gz PHLUIWKQNIZPHT-OAHLLOKOSA-N 0 1 288.366 3.860 20 0 CHADMN COc1cc(F)cc(CNCc2ccc(Cl)cc2)c1 ZINC000093970721 1119662539 /nfs/dbraw/zinc/66/25/39/1119662539.db2.gz INHVWYPYHNKSEE-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN Clc1cc(Cl)cc(CN[C@H]2CCCn3nccc32)c1 ZINC000658055206 1119676761 /nfs/dbraw/zinc/67/67/61/1119676761.db2.gz MVXRCHUXYNDITF-ZDUSSCGKSA-N 0 1 296.201 3.815 20 0 CHADMN CC[C@H](COCC1CC1)N[C@H](C)c1nc(C)sc1C ZINC000658092159 1119681084 /nfs/dbraw/zinc/68/10/84/1119681084.db2.gz XVEKBZKZOCAKIL-QMTHXVAHSA-N 0 1 282.453 3.616 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)Cc2ccc(F)cc2C)no1 ZINC000658091448 1119681111 /nfs/dbraw/zinc/68/11/11/1119681111.db2.gz SHWDKKTZUNCOHS-WCQYABFASA-N 0 1 276.355 3.712 20 0 CHADMN CC[C@@H](C)CCN[C@H](c1nccn1C)c1cccc(F)c1 ZINC000658120558 1119687526 /nfs/dbraw/zinc/68/75/26/1119687526.db2.gz KUCHAQGBXJGAPS-CJNGLKHVSA-N 0 1 289.398 3.674 20 0 CHADMN CC[C@H](C)CCN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000658121801 1119688286 /nfs/dbraw/zinc/68/82/86/1119688286.db2.gz QARZEIOSWZSROW-ZFWWWQNUSA-N 0 1 257.381 3.525 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@H+]([C@H](C)c2ccc(Cl)cc2)C1 ZINC000300288390 1119691122 /nfs/dbraw/zinc/69/11/22/1119691122.db2.gz SJIZJNPZJQUNEX-WBMJQRKESA-N 0 1 295.810 3.834 20 0 CHADMN COC[C@@H](NCCc1ccoc1)c1cccc(Cl)c1F ZINC000658201359 1119701382 /nfs/dbraw/zinc/70/13/82/1119701382.db2.gz RVRFDKNYRFRSDE-CQSZACIVSA-N 0 1 297.757 3.592 20 0 CHADMN C[C@@H](NC[C@@H]1CCC[C@@H](C)O1)c1nc2c(s1)CCCC2 ZINC000658221536 1119704505 /nfs/dbraw/zinc/70/45/05/1119704505.db2.gz UJWHOXGNGFBMEV-UPJWGTAASA-N 0 1 294.464 3.630 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2CCc3ccc(O)cc32)o1 ZINC000658238860 1119710058 /nfs/dbraw/zinc/71/00/58/1119710058.db2.gz LJULMCUJPOMIOK-NHYWBVRUSA-N 0 1 257.333 3.632 20 0 CHADMN CC(C)[C@H](NCc1c(C2CCC2)cnn1C)c1cccnc1 ZINC000658268027 1119713730 /nfs/dbraw/zinc/71/37/30/1119713730.db2.gz KHPBZTTUNKPEAQ-SFHVURJKSA-N 0 1 298.434 3.570 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1nc(C)sc1C)C1CCCC1 ZINC000658313527 1119721981 /nfs/dbraw/zinc/72/19/81/1119721981.db2.gz DEJPMYXYQVCXDF-HZMBPMFUSA-N 0 1 282.453 3.616 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@@H](C)c1nccn1C ZINC000658335848 1119726447 /nfs/dbraw/zinc/72/64/47/1119726447.db2.gz HYUBRIWFMYKLBZ-IPYPFGDCSA-N 0 1 269.392 3.628 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cn3ccccc3n2)c1C ZINC000658346319 1119731883 /nfs/dbraw/zinc/73/18/83/1119731883.db2.gz GAQGCQZSUWXBOW-AWEZNQCLSA-N 0 1 295.386 3.502 20 0 CHADMN CC(C)O[C@@H](CN1CCC[C@H]1CF)c1ccccc1 ZINC000339673339 1119733835 /nfs/dbraw/zinc/73/38/35/1119733835.db2.gz SQYLIYKPVADIHF-HOTGVXAUSA-N 0 1 265.372 3.587 20 0 CHADMN CC[C@@H](NCc1c(Cl)c(C)nn1C)c1ccc(C)cc1 ZINC000892439489 1119737763 /nfs/dbraw/zinc/73/77/63/1119737763.db2.gz WVZHEVUZSYMCDR-CQSZACIVSA-N 0 1 291.826 3.931 20 0 CHADMN c1ccc2c(c1)CN(C[C@@H]1CCCO1)Cc1ccccc1-2 ZINC000101919842 1119739436 /nfs/dbraw/zinc/73/94/36/1119739436.db2.gz DAUKPTNTNAUYEJ-KRWDZBQOSA-N 0 1 279.383 3.848 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1ccoc1Cl ZINC000192440249 1119743061 /nfs/dbraw/zinc/74/30/61/1119743061.db2.gz CYWGWOJJMMOIBH-UHFFFAOYSA-N 0 1 272.087 3.544 20 0 CHADMN CCn1ccnc1CN(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000102182087 1119746314 /nfs/dbraw/zinc/74/63/14/1119746314.db2.gz BVBWKNUXOYNUMA-HNNXBMFYSA-N 0 1 283.419 3.704 20 0 CHADMN COc1ccc(CN[C@@H](c2ccc(F)cc2)C(C)C)o1 ZINC000892468434 1119747658 /nfs/dbraw/zinc/74/76/58/1119747658.db2.gz TWVMPQYIYSBSFP-MRXNPFEDSA-N 0 1 277.339 3.914 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3cc(Cl)ccc32)sn1 ZINC000404387228 1119752489 /nfs/dbraw/zinc/75/24/89/1119752489.db2.gz YESQVQCKDIFLCJ-CQSZACIVSA-N 0 1 278.808 3.882 20 0 CHADMN CC(C)[C@@H](NCc1ccns1)c1ccc(F)cc1 ZINC000404444110 1119754645 /nfs/dbraw/zinc/75/46/45/1119754645.db2.gz MHKYDQKDFQSJON-CQSZACIVSA-N 0 1 264.369 3.769 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cc(C)ns1 ZINC000404475793 1119754565 /nfs/dbraw/zinc/75/45/65/1119754565.db2.gz QSCGGFKNVAJGCZ-LBPRGKRZSA-N 0 1 276.405 3.619 20 0 CHADMN C[C@@H](C(=O)Nc1ccc2nc[nH]c2c1)c1cccc(Cl)c1 ZINC000511334858 1119758614 /nfs/dbraw/zinc/75/86/14/1119758614.db2.gz RFVPWCUUDDJCIZ-SNVBAGLBSA-N 0 1 299.761 3.959 20 0 CHADMN CCn1ccnc1CN[C@H](c1ccc(F)cc1)C(C)C ZINC000051921934 1119763263 /nfs/dbraw/zinc/76/32/63/1119763263.db2.gz GDORLGRWIKGATL-INIZCTEOSA-N 0 1 275.371 3.529 20 0 CHADMN COCCCN[C@H](c1cc2ccccc2o1)c1ccccn1 ZINC000924535739 1119764111 /nfs/dbraw/zinc/76/41/11/1119764111.db2.gz IEEMJIUELRGJHU-SFHVURJKSA-N 0 1 296.370 3.543 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccc(OCC)cc2)o1 ZINC000892479648 1119764151 /nfs/dbraw/zinc/76/41/51/1119764151.db2.gz JVNBYGBZVZRVTM-ZDUSSCGKSA-N 0 1 289.375 3.928 20 0 CHADMN CCn1ccnc1CN[C@H](C)c1cccc2ccccc21 ZINC000051921151 1119764413 /nfs/dbraw/zinc/76/44/13/1119764413.db2.gz NSEDAEJQVMJLCU-CQSZACIVSA-N 0 1 279.387 3.907 20 0 CHADMN Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000375843740 1119768303 /nfs/dbraw/zinc/76/83/03/1119768303.db2.gz BKWDZNOTZKNTST-NUTKFTJISA-N 0 1 299.418 3.782 20 0 CHADMN O=C(CCC1CC1)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000343820407 1119779163 /nfs/dbraw/zinc/77/91/63/1119779163.db2.gz NOAQKOLYWPRPDO-UHFFFAOYSA-N 0 1 297.280 3.710 20 0 CHADMN CC(C)CC[C@](C)(O)CNCc1c(F)cccc1Cl ZINC000236629380 1119792113 /nfs/dbraw/zinc/79/21/13/1119792113.db2.gz KKEXWFWSMOTKKW-HNNXBMFYSA-N 0 1 287.806 3.756 20 0 CHADMN CSCCN[C@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000924550500 1119804648 /nfs/dbraw/zinc/80/46/48/1119804648.db2.gz GBULEVFJYOHGAU-SSDOTTSWSA-N 0 1 298.761 3.767 20 0 CHADMN O=C(NOC1CCCCC1)[C@@H]1CCCc2sccc21 ZINC000779317650 1128870271 /nfs/dbraw/zinc/87/02/71/1128870271.db2.gz QRRVSRYJPCROHL-CYBMUJFWSA-N 0 1 279.405 3.549 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(OC(F)F)cc2)o1 ZINC000892506668 1119806308 /nfs/dbraw/zinc/80/63/08/1119806308.db2.gz IFPVTVVGDUYOSL-SNVBAGLBSA-N 0 1 297.301 3.740 20 0 CHADMN CC(C)c1ccc2c(c1)C[N@H+](Cc1cccnc1)CC2 ZINC000661373477 1119841365 /nfs/dbraw/zinc/84/13/65/1119841365.db2.gz JYFCMZHNTHOLFH-UHFFFAOYSA-N 0 1 266.388 3.763 20 0 CHADMN CC(C)c1ccc2c(c1)CN(Cc1cccnc1)CC2 ZINC000661373477 1119841369 /nfs/dbraw/zinc/84/13/69/1119841369.db2.gz JYFCMZHNTHOLFH-UHFFFAOYSA-N 0 1 266.388 3.763 20 0 CHADMN Brc1ccnc(CN2CCC[C@@H]3CCC[C@H]32)c1 ZINC001140766074 1119841436 /nfs/dbraw/zinc/84/14/36/1119841436.db2.gz WYPUXDZVRWHHLS-SMDDNHRTSA-N 0 1 295.224 3.609 20 0 CHADMN CC1(C)CC[C@H]1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000613041152 1119855000 /nfs/dbraw/zinc/85/50/00/1119855000.db2.gz QKGBSFVUEPJSHN-VIFPVBQESA-N 0 1 293.317 3.875 20 0 CHADMN Cc1cn[nH]c1C[N@@H+](Cc1ccccc1)CC(C)(C)C ZINC000685835991 1119855438 /nfs/dbraw/zinc/85/54/38/1119855438.db2.gz MDXIFIYVJWBIIQ-UHFFFAOYSA-N 0 1 271.408 3.766 20 0 CHADMN Cc1c[nH]nc1CN(Cc1ccccc1)CC(C)(C)C ZINC000685835991 1119855446 /nfs/dbraw/zinc/85/54/46/1119855446.db2.gz MDXIFIYVJWBIIQ-UHFFFAOYSA-N 0 1 271.408 3.766 20 0 CHADMN Cc1cn[nH]c1C[N@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000685838179 1119856334 /nfs/dbraw/zinc/85/63/34/1119856334.db2.gz XKUUVXQCQSKZFH-QGZVFWFLSA-N 0 1 269.392 3.672 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c(Cl)ccnc21)c1cccnc1 ZINC000924564961 1119860902 /nfs/dbraw/zinc/86/09/02/1119860902.db2.gz QKCVFRVSXRKXFU-IAQYHMDHSA-N 0 1 287.794 3.858 20 0 CHADMN Cc1c[nH]nc1CN1CCC(c2ccc(Cl)cc2)CC1 ZINC000685843886 1119864348 /nfs/dbraw/zinc/86/43/48/1119864348.db2.gz GEACTKHSSMLCDB-UHFFFAOYSA-N 0 1 289.810 3.751 20 0 CHADMN Cc1cccc2nc(CNC(=O)[C@@]3(C)CC=C(C)CC3)[nH]c21 ZINC000613145370 1119873292 /nfs/dbraw/zinc/87/32/92/1119873292.db2.gz YEIMEZDGGJGSMB-SFHVURJKSA-N 0 1 297.402 3.624 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccc3c2OCO3)c(C)c1 ZINC000414061650 1119876184 /nfs/dbraw/zinc/87/61/84/1119876184.db2.gz CBWCBZMNYDJHLA-CYBMUJFWSA-N 0 1 299.370 3.583 20 0 CHADMN C[C@H](NCc1cccc2ccccc21)c1cc2n(n1)CCC2 ZINC000414075220 1119882093 /nfs/dbraw/zinc/88/20/93/1119882093.db2.gz NOOWNDCEBADFNQ-AWEZNQCLSA-N 0 1 291.398 3.833 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C2CC2)cc1 ZINC000613197570 1119884069 /nfs/dbraw/zinc/88/40/69/1119884069.db2.gz MANRQHDAWQDAAR-UHFFFAOYSA-N 0 1 291.301 3.785 20 0 CHADMN CCCCCc1cc(C(=O)N2[C@H](C)CC[C@@H]2CC)n[nH]1 ZINC000613234567 1119889737 /nfs/dbraw/zinc/88/97/37/1119889737.db2.gz CSBDAXDAUDHJKI-OCCSQVGLSA-N 0 1 277.412 3.546 20 0 CHADMN CCCc1ccc(CNCc2cccc(OC)c2OC)cc1 ZINC000613268209 1119894905 /nfs/dbraw/zinc/89/49/05/1119894905.db2.gz NSXDFYISGPJHGN-UHFFFAOYSA-N 0 1 299.414 3.946 20 0 CHADMN C[C@H](N[C@H]1CCSC1)c1csc(-c2ccccc2)n1 ZINC000414101728 1119898897 /nfs/dbraw/zinc/89/88/97/1119898897.db2.gz WPQMQODCYWWVLA-AAEUAGOBSA-N 0 1 290.457 3.966 20 0 CHADMN COCc1ccc(CN[C@H](C)c2ccc(SC)cc2)o1 ZINC000282236567 1119899302 /nfs/dbraw/zinc/89/93/02/1119899302.db2.gz NTTUVHLSAMYKDI-GFCCVEGCSA-N 0 1 291.416 3.999 20 0 CHADMN C[C@H](N[C@@H]1CCCOC1)c1csc(-c2ccccc2)n1 ZINC000414111981 1119903569 /nfs/dbraw/zinc/90/35/69/1119903569.db2.gz JNCURTKGRZTHEQ-GXTWGEPZSA-N 0 1 288.416 3.640 20 0 CHADMN Cc1ccccc1[C@@H](N[C@@H](C)c1ccn(C)n1)C(C)C ZINC000414126890 1119908658 /nfs/dbraw/zinc/90/86/58/1119908658.db2.gz RPIKHXAHXJSUJT-YOEHRIQHSA-N 0 1 271.408 3.776 20 0 CHADMN CC[C@](C)(O)CN[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414128098 1119910844 /nfs/dbraw/zinc/91/08/44/1119910844.db2.gz SXWKQARYHVVTHZ-LRDDRELGSA-N 0 1 290.432 3.622 20 0 CHADMN CC[C@@H](COC)N[C@H](C)c1csc(-c2ccccc2)n1 ZINC000414131488 1119911390 /nfs/dbraw/zinc/91/13/90/1119911390.db2.gz XZWPULYOEXWSAA-OCCSQVGLSA-N 0 1 290.432 3.886 20 0 CHADMN CCCc1ncc(CN[C@H](C)c2ccc(OC)cc2C)o1 ZINC000414155492 1119918574 /nfs/dbraw/zinc/91/85/74/1119918574.db2.gz VCDHYQPZCXYBNQ-CYBMUJFWSA-N 0 1 288.391 3.795 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccn(C)n1)c1cc2c(s1)CCCC2 ZINC000414169186 1119925104 /nfs/dbraw/zinc/92/51/04/1119925104.db2.gz ASVVZTQWRPOERS-NWDGAFQWSA-N 0 1 289.448 3.772 20 0 CHADMN C[C@@H](N[C@H]1CC[C@@H](C)c2ccsc21)c1ccn(C)n1 ZINC000414169665 1119925432 /nfs/dbraw/zinc/92/54/32/1119925432.db2.gz BIKKZXBOFNREJT-GYSYKLTISA-N 0 1 275.421 3.771 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2cccc(C3CC3)c2)o1 ZINC000414178458 1119927369 /nfs/dbraw/zinc/92/73/69/1119927369.db2.gz JWQAGNKRITVTPH-NSHDSACASA-N 0 1 256.349 3.711 20 0 CHADMN CC[C@@H]1CCC[C@@H](C[NH2+]C(C)(C)c2nc(C)cc(=O)[n-]2)C1 ZINC000628375070 1119929241 /nfs/dbraw/zinc/92/92/41/1119929241.db2.gz XRYMURKQGBOVPQ-ZIAGYGMSSA-N 0 1 291.439 3.532 20 0 CHADMN Cc1ncc(CN[C@@H](c2ccc(F)c(C)c2)C2CC2)o1 ZINC000414180129 1119929451 /nfs/dbraw/zinc/92/94/51/1119929451.db2.gz LGXSXPWQLKXGMB-MRXNPFEDSA-N 0 1 274.339 3.671 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c3ccccc3[nH]c21)c1ccn(C)n1 ZINC000414191406 1119932191 /nfs/dbraw/zinc/93/21/91/1119932191.db2.gz SLIGQZWNWGTRJH-SJKOYZFVSA-N 0 1 294.402 3.630 20 0 CHADMN CCc1ccc([C@H](CC)N[C@@H](C)c2ccn(C)n2)cc1 ZINC000414187616 1119932323 /nfs/dbraw/zinc/93/23/23/1119932323.db2.gz QEQNOTQUAMUPES-BBRMVZONSA-N 0 1 271.408 3.784 20 0 CHADMN CCC[C@H](N[C@H](C)c1ccn(C)n1)c1ccc(OC)cc1 ZINC000414192838 1119932778 /nfs/dbraw/zinc/93/27/78/1119932778.db2.gz TVQDMSJOWIXQTH-DYVFJYSZSA-N 0 1 287.407 3.621 20 0 CHADMN COc1cccc(C2CC(N(C)Cc3ccns3)C2)c1 ZINC001550124183 1119933328 /nfs/dbraw/zinc/93/33/28/1119933328.db2.gz CVYNLOUWAYNKDJ-UHFFFAOYSA-N 0 1 288.416 3.530 20 0 CHADMN CC(C)N(C)CC(=O)Nc1cccc(-c2cccs2)c1 ZINC000170633350 1119937819 /nfs/dbraw/zinc/93/78/19/1119937819.db2.gz AWEUSGSPRBNBNM-UHFFFAOYSA-N 0 1 288.416 3.694 20 0 CHADMN C[C@@H](NCc1cnccc1C(C)(C)C)c1ccncc1 ZINC000414224009 1119945115 /nfs/dbraw/zinc/94/51/15/1119945115.db2.gz HESAUEPKEAAOBQ-CYBMUJFWSA-N 0 1 269.392 3.625 20 0 CHADMN C[C@H](N[C@H]1C[C@H](OC(C)(C)C)C1(C)C)c1nccs1 ZINC000414226685 1119946686 /nfs/dbraw/zinc/94/66/86/1119946686.db2.gz UOMRGMNVDVSXAZ-SRVKXCTJSA-N 0 1 282.453 3.776 20 0 CHADMN C[C@H](N[C@@H](c1ccccn1)C1CCC1)c1ccns1 ZINC000926753357 1119947414 /nfs/dbraw/zinc/94/74/14/1119947414.db2.gz SHODURXRAKCCGQ-XHDPSFHLSA-N 0 1 273.405 3.730 20 0 CHADMN CCC1CCN([C@H](C)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000613505621 1119947574 /nfs/dbraw/zinc/94/75/74/1119947574.db2.gz IZQOXHPXRJRDNK-OAHLLOKOSA-N 0 1 288.435 3.752 20 0 CHADMN C[C@H](NCc1cnccc1C(C)(C)C)c1ccccn1 ZINC000414227513 1119947798 /nfs/dbraw/zinc/94/77/98/1119947798.db2.gz KUAJOUVYAFBSBT-ZDUSSCGKSA-N 0 1 269.392 3.625 20 0 CHADMN C[C@H](NCc1cnccc1C(C)(C)C)c1cncs1 ZINC000414232828 1119950392 /nfs/dbraw/zinc/95/03/92/1119950392.db2.gz QMQARKGNXSVZMW-NSHDSACASA-N 0 1 275.421 3.686 20 0 CHADMN Cc1ccccc1CN[C@H](c1cnn(C)c1)c1ccccc1 ZINC000376357003 1119954244 /nfs/dbraw/zinc/95/42/44/1119954244.db2.gz XEZBOHUKLUJPIM-IBGZPJMESA-N 0 1 291.398 3.608 20 0 CHADMN FC(F)(F)c1ccnc(CN[C@H]2CCCC23CCCC3)n1 ZINC000414244537 1119955391 /nfs/dbraw/zinc/95/53/91/1119955391.db2.gz LJMOQUZLYAGCEX-NSHDSACASA-N 0 1 299.340 3.698 20 0 CHADMN CC[C@@H](C)C[C@@H](CC)NCc1nccc(C(F)(F)F)n1 ZINC000414256653 1119958335 /nfs/dbraw/zinc/95/83/35/1119958335.db2.gz NZGVFUFUCSKXGB-GHMZBOCLSA-N 0 1 289.345 3.800 20 0 CHADMN CC[C@@H](NCc1cccnc1)c1ccc(F)cc1F ZINC000160653546 1119959049 /nfs/dbraw/zinc/95/90/49/1119959049.db2.gz VAJHRPXLUZRLIV-OAHLLOKOSA-N 0 1 262.303 3.601 20 0 CHADMN Clc1nccc(CNCc2cccs2)c1Cl ZINC000393754173 1119959724 /nfs/dbraw/zinc/95/97/24/1119959724.db2.gz VLKPJRYDZXSXPX-UHFFFAOYSA-N 0 1 273.188 3.740 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cccc(OC(C)C)c2)o1 ZINC000892589115 1119961050 /nfs/dbraw/zinc/96/10/50/1119961050.db2.gz LNAXSIVKBLEKAL-ZDUSSCGKSA-N 0 1 289.375 3.926 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2cccc(OC(C)C)c2)cn1 ZINC000414288675 1119968614 /nfs/dbraw/zinc/96/86/14/1119968614.db2.gz QBAPPLGZORCOMP-AWEZNQCLSA-N 0 1 299.418 3.677 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1cnn(C2CCCC2)c1 ZINC000414309645 1119974803 /nfs/dbraw/zinc/97/48/03/1119974803.db2.gz JSMGMKVQENEQNV-APHBMKBZSA-N 0 1 279.403 3.930 20 0 CHADMN Cc1ccc(C2CC(NCc3nnc(C4CC4)s3)C2)cc1 ZINC000414324921 1119984438 /nfs/dbraw/zinc/98/44/38/1119984438.db2.gz LFMYVPAWBDBUPE-UHFFFAOYSA-N 0 1 299.443 3.760 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2NCCCOC1CCCCC1 ZINC000924579405 1119987125 /nfs/dbraw/zinc/98/71/25/1119987125.db2.gz CCSVJJUPMCBQNH-OAHLLOKOSA-N 0 1 292.423 3.689 20 0 CHADMN Cc1ccc(CN[C@H](c2ccc(F)cc2)C2CCC2)nn1 ZINC000414335679 1119988730 /nfs/dbraw/zinc/98/87/30/1119988730.db2.gz YGGDPMCHZNIRIR-KRWDZBQOSA-N 0 1 285.366 3.555 20 0 CHADMN CC[C@H](NCc1ccc(C)o1)c1ccc2c(c1)CCO2 ZINC000053036657 1119990667 /nfs/dbraw/zinc/99/06/67/1119990667.db2.gz ARSYTVRHLRWYQN-INIZCTEOSA-N 0 1 271.360 3.764 20 0 CHADMN COCc1cc([C@@H](C)NCc2ccc(C)o2)ccc1OC ZINC000053036329 1119990735 /nfs/dbraw/zinc/99/07/35/1119990735.db2.gz GKMIIGPIFMLGKH-CYBMUJFWSA-N 0 1 289.375 3.594 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cn[nH]c2)ccc1C(F)(F)F ZINC000414363637 1119999866 /nfs/dbraw/zinc/99/98/66/1119999866.db2.gz GXVCHIXFFIHAJZ-JTQLQIEISA-N 0 1 283.297 3.588 20 0 CHADMN CCc1ncc(CN(Cc2ccc(C)s2)C(C)C)cn1 ZINC000414366571 1120000694 /nfs/dbraw/zinc/00/06/94/1120000694.db2.gz AQPKINFGLLYNLJ-UHFFFAOYSA-N 0 1 289.448 3.820 20 0 CHADMN COCCN(Cc1ccoc1C)[C@H](C)c1ccccc1 ZINC000414371629 1120004059 /nfs/dbraw/zinc/00/40/59/1120004059.db2.gz NLTVBLOETXEVOA-CQSZACIVSA-N 0 1 273.376 3.798 20 0 CHADMN Cc1cc(C)n(-c2ccccc2CNCc2ccoc2C)n1 ZINC000414376191 1120005492 /nfs/dbraw/zinc/00/54/92/1120005492.db2.gz GXSPEIBSADWOOH-UHFFFAOYSA-N 0 1 295.386 3.680 20 0 CHADMN CCc1ncc(C[N@@H+](C)Cc2ccc3ccccc3c2)cn1 ZINC000414373572 1120005985 /nfs/dbraw/zinc/00/59/85/1120005985.db2.gz SQLNZXJWABLJGZ-UHFFFAOYSA-N 0 1 291.398 3.824 20 0 CHADMN CCc1ncc(CN(C)Cc2ccc3ccccc3c2)cn1 ZINC000414373572 1120005988 /nfs/dbraw/zinc/00/59/88/1120005988.db2.gz SQLNZXJWABLJGZ-UHFFFAOYSA-N 0 1 291.398 3.824 20 0 CHADMN Cc1occc1CNCc1ccc(C)cc1OC(C)C ZINC000414383158 1120010183 /nfs/dbraw/zinc/01/01/83/1120010183.db2.gz STQVVGOQEALMQV-UHFFFAOYSA-N 0 1 273.376 3.973 20 0 CHADMN Cc1ccc(-c2nnc([C@@H](C)N3CCCC4(CC4)C3)o2)cc1 ZINC000187002696 1120010382 /nfs/dbraw/zinc/01/03/82/1120010382.db2.gz GOBRIVZQQQRBKZ-CQSZACIVSA-N 0 1 297.402 3.982 20 0 CHADMN CCCOc1c(Cl)cc(CN2C[C@@H]3C[C@@H]3C2)cc1OC ZINC000628408272 1120015253 /nfs/dbraw/zinc/01/52/53/1120015253.db2.gz WRVRKWREWVRZCS-BETUJISGSA-N 0 1 295.810 3.589 20 0 CHADMN CCOC(=O)/C=C/CN1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001167704988 1120015387 /nfs/dbraw/zinc/01/53/87/1120015387.db2.gz FWVRERWKQJSQAO-FVPDAIGJSA-N 0 1 299.414 3.507 20 0 CHADMN CC1=C(Br)CN(C[C@@H]2CCC(F)(F)C2)CC1 ZINC000829397450 1120017599 /nfs/dbraw/zinc/01/75/99/1120017599.db2.gz HIYBJMWTKRSHBH-SNVBAGLBSA-N 0 1 294.183 3.796 20 0 CHADMN Cc1cc2nc(C(F)(F)F)[nH]c2cc1Br ZINC000003643304 1120020958 /nfs/dbraw/zinc/02/09/58/1120020958.db2.gz DPUCPNLAQAMNLR-UHFFFAOYSA-N 0 1 279.059 3.653 20 0 CHADMN C[C@@H](Sc1n[nH]c(CCC2CCCC2)n1)C(F)(F)F ZINC000134589512 1120022489 /nfs/dbraw/zinc/02/24/89/1120022489.db2.gz YLVWPXRTFIRGAK-MRVPVSSYSA-N 0 1 293.358 3.970 20 0 CHADMN C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(F)(F)F ZINC000134589512 1120022494 /nfs/dbraw/zinc/02/24/94/1120022494.db2.gz YLVWPXRTFIRGAK-MRVPVSSYSA-N 0 1 293.358 3.970 20 0 CHADMN CCc1ncc(CN(Cc2ccc(C)c(C)c2)C2CC2)cn1 ZINC000414402273 1120024162 /nfs/dbraw/zinc/02/41/62/1120024162.db2.gz XVBATRPFUQCQHO-UHFFFAOYSA-N 0 1 295.430 3.820 20 0 CHADMN C[C@H](NCc1cccc(Br)n1)c1ccsc1 ZINC000164225146 1120029456 /nfs/dbraw/zinc/02/94/56/1120029456.db2.gz YWQITUOAMBOCPP-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN CC(C)Cc1noc(CN2C[C@H](c3ccccc3)C[C@@H]2C)n1 ZINC000115552418 1120043015 /nfs/dbraw/zinc/04/30/15/1120043015.db2.gz TZAPSAVJHAHJTI-GOEBONIOSA-N 0 1 299.418 3.646 20 0 CHADMN Cc1cc(F)c(CN2CC[C@H]3CC[C@@H](C2)S3)c(F)c1 ZINC000628423351 1120044507 /nfs/dbraw/zinc/04/45/07/1120044507.db2.gz PBPRMYDAQPOCJT-NEPJUHHUSA-N 0 1 283.387 3.743 20 0 CHADMN C[C@@H]1CCCC[C@@H]1N(C)Cc1csc(Cl)n1 ZINC000309452450 1120044908 /nfs/dbraw/zinc/04/49/08/1120044908.db2.gz RFVDVYIHHVZLGB-KOLCDFICSA-N 0 1 258.818 3.807 20 0 CHADMN CC[C@H](C)[C@@H](C)NCc1csc(C(F)(F)F)n1 ZINC000892675873 1120050049 /nfs/dbraw/zinc/05/00/49/1120050049.db2.gz GBDGANVQTCWZTG-JGVFFNPUSA-N 0 1 266.332 3.686 20 0 CHADMN CC(C)(NCc1ccnn1C1CCC1)c1ccc(F)cc1 ZINC000921672383 1120066454 /nfs/dbraw/zinc/06/64/54/1120066454.db2.gz YNOXRTWOFPFMAS-UHFFFAOYSA-N 0 1 287.382 3.772 20 0 CHADMN CC[C@](C)(NC[C@@H]1CC1(Cl)Cl)c1nccs1 ZINC000309468891 1120067060 /nfs/dbraw/zinc/06/70/60/1120067060.db2.gz QCGZCWPEHOBRRZ-WPRPVWTQSA-N 0 1 279.236 3.552 20 0 CHADMN Cc1ncc(CN[C@@H](c2ccccc2Cl)C(C)C)n1C ZINC000580214091 1120074808 /nfs/dbraw/zinc/07/48/08/1120074808.db2.gz KCUKQZRVIYEJCL-MRXNPFEDSA-N 0 1 291.826 3.869 20 0 CHADMN CCCN[C@H](C)c1nc(-c2cccc3ccccc32)no1 ZINC000109510181 1120080944 /nfs/dbraw/zinc/08/09/44/1120080944.db2.gz BCVLHRVPMUJJLW-GFCCVEGCSA-N 0 1 281.359 3.950 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cncs2)c(C)c1 ZINC000903311375 1120081402 /nfs/dbraw/zinc/08/14/02/1120081402.db2.gz OUTGCBFIFXKPEQ-VXGBXAGGSA-N 0 1 276.405 3.872 20 0 CHADMN Cc1nc2c(s1)[C@H](N(C)CCC(=O)CC(C)C)CCC2 ZINC000828065807 1120084504 /nfs/dbraw/zinc/08/45/04/1120084504.db2.gz AWYVKZQURURTDH-OAHLLOKOSA-N 0 1 294.464 3.766 20 0 CHADMN CC(C)=CCO[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001205025603 1120093967 /nfs/dbraw/zinc/09/39/67/1120093967.db2.gz MDKRTNLELBJJHX-OAHLLOKOSA-N 0 1 279.811 3.897 20 0 CHADMN CCC[C@H]1CCCCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000179512595 1120094261 /nfs/dbraw/zinc/09/42/61/1120094261.db2.gz USSXFYFVFTXAAP-LBPRGKRZSA-N 0 1 281.783 3.840 20 0 CHADMN Cc1ccc(F)cc1CN[C@@H]1CCCc2occc21 ZINC000180049576 1120095930 /nfs/dbraw/zinc/09/59/30/1120095930.db2.gz TXRIGCXCXPYLMR-OAHLLOKOSA-N 0 1 259.324 3.894 20 0 CHADMN CC[C@@H](CSC)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343837107 1120101749 /nfs/dbraw/zinc/10/17/49/1120101749.db2.gz IHLUAOBLNBHMFH-SFYZADRCSA-N 0 1 298.399 3.954 20 0 CHADMN CC[C@H](CSC)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343837098 1120101884 /nfs/dbraw/zinc/10/18/84/1120101884.db2.gz IHLUAOBLNBHMFH-HTQZYQBOSA-N 0 1 298.399 3.954 20 0 CHADMN Cc1nc(C)c(CN[C@@H](c2ccccc2)C2CC2)o1 ZINC000311880599 1120104610 /nfs/dbraw/zinc/10/46/10/1120104610.db2.gz WKRHSNOUENMIIN-INIZCTEOSA-N 0 1 256.349 3.532 20 0 CHADMN C[C@@H](c1ccccc1)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000605594915 1120108847 /nfs/dbraw/zinc/10/88/47/1120108847.db2.gz VWECTBYWVRXULV-JSGCOSHPSA-N 0 1 287.325 3.791 20 0 CHADMN CC[C@H](C)O[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001204629360 1120109043 /nfs/dbraw/zinc/10/90/43/1120109043.db2.gz KETLSIDHURCPEQ-DZGCQCFKSA-N 0 1 265.372 3.605 20 0 CHADMN O=C([O-])[C@]12C[N@@H+](Cc3cc4ccccc4o3)C[C@H]1CCCC2 ZINC000659800272 1120113216 /nfs/dbraw/zinc/11/32/16/1120113216.db2.gz WXTGPOMYAMCCHS-RDTXWAMCSA-N 0 1 299.370 3.510 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@H]2CC2CCC2)cc1 ZINC000659804451 1120114631 /nfs/dbraw/zinc/11/46/31/1120114631.db2.gz ZZQLNFBDDAPAAJ-KRWDZBQOSA-N 0 1 287.403 3.930 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2c2ccc(C)cc2)c(C)o1 ZINC000659809391 1120115603 /nfs/dbraw/zinc/11/56/03/1120115603.db2.gz ADBFZCIWFUJELR-QGZVFWFLSA-N 0 1 270.376 3.937 20 0 CHADMN Cc1nc(CN2CCC(c3ccccc3)CC2)c(C)o1 ZINC000659822119 1120119572 /nfs/dbraw/zinc/11/95/72/1120119572.db2.gz IOTUDPXQSQEBQK-UHFFFAOYSA-N 0 1 270.376 3.671 20 0 CHADMN C[C@@H]1CCC[C@@H](C)C1NCc1nc(C2CCCC2)no1 ZINC000182716146 1120122290 /nfs/dbraw/zinc/12/22/90/1120122290.db2.gz RUSIFDJVEYPOIO-VXGBXAGGSA-N 0 1 277.412 3.642 20 0 CHADMN C[C@H]1CCC[C@H](C)C1NCc1nc(C2CCCC2)no1 ZINC000182716128 1120122900 /nfs/dbraw/zinc/12/29/00/1120122900.db2.gz RUSIFDJVEYPOIO-RYUDHWBXSA-N 0 1 277.412 3.642 20 0 CHADMN CC[C@H]1CN(C/C=C/c2ccc(F)cc2F)CCS1 ZINC000542702770 1120124059 /nfs/dbraw/zinc/12/40/59/1120124059.db2.gz STCWWAGPAVBOGG-XGACYXMMSA-N 0 1 283.387 3.805 20 0 CHADMN CCCNc1cc(C)nc(N[C@@H]2CCNc3ccccc32)n1 ZINC001168640305 1120127316 /nfs/dbraw/zinc/12/73/16/1120127316.db2.gz YRKGHYAPALRRSD-OAHLLOKOSA-N 0 1 297.406 3.576 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2cnc(F)c(C)c2)c1 ZINC000892757477 1120136714 /nfs/dbraw/zinc/13/67/14/1120136714.db2.gz JXNMRYXVQRGDAJ-CYBMUJFWSA-N 0 1 288.366 3.779 20 0 CHADMN CCOc1cccc([C@H](C)NCc2ccc(OC)o2)c1 ZINC000892759138 1120137785 /nfs/dbraw/zinc/13/77/85/1120137785.db2.gz VDGKKEOGGUHTED-LBPRGKRZSA-N 0 1 275.348 3.538 20 0 CHADMN Cc1nnc([C@@H](C)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)o1 ZINC000183641792 1120138426 /nfs/dbraw/zinc/13/84/26/1120138426.db2.gz HCULHIJYTYTXLU-TYAHFOIDSA-N 0 1 289.423 3.634 20 0 CHADMN Cc1cc(CNCc2cc(F)ccc2F)cc(C)c1O ZINC000111233228 1120141222 /nfs/dbraw/zinc/14/12/22/1120141222.db2.gz SPROHZQNBNWKBT-UHFFFAOYSA-N 0 1 277.314 3.577 20 0 CHADMN Clc1ccccc1OCCN1CCc2ccccc2C1 ZINC000301605244 1120142632 /nfs/dbraw/zinc/14/26/32/1120142632.db2.gz KMQBGPHKFOANOH-UHFFFAOYSA-N 0 1 287.790 3.777 20 0 CHADMN Cc1nn(C)c(C)c1CNCc1cc(Cl)cc(Cl)c1 ZINC000111363476 1120144690 /nfs/dbraw/zinc/14/46/90/1120144690.db2.gz BWMDBDCHPNDQGC-UHFFFAOYSA-N 0 1 298.217 3.634 20 0 CHADMN CC(F)(F)C(C)(C)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000564706534 1120144985 /nfs/dbraw/zinc/14/49/85/1120144985.db2.gz UELVSMQKHJEJNR-UHFFFAOYSA-N 0 1 292.289 3.546 20 0 CHADMN Cn1cccc1CNC1c2ccccc2-c2ccccc21 ZINC000542779729 1120145823 /nfs/dbraw/zinc/14/58/23/1120145823.db2.gz QEYPZSNOQLRWLJ-UHFFFAOYSA-N 0 1 274.367 3.885 20 0 CHADMN C[C@@H](CC(=O)OC(C)(C)C)N[C@@H](C)c1c(F)cccc1F ZINC000542778671 1120145827 /nfs/dbraw/zinc/14/58/27/1120145827.db2.gz RCSMCDAMOCDVHA-QWRGUYRKSA-N 0 1 299.361 3.736 20 0 CHADMN c1ccc([C@@H]2CCCN2Cc2noc3c2CCCC3)cc1 ZINC000108851621 1120172496 /nfs/dbraw/zinc/17/24/96/1120172496.db2.gz FIMNDNWONQPKBF-KRWDZBQOSA-N 0 1 282.387 3.891 20 0 CHADMN CCCCC[C@H](NCc1ccn(C)n1)c1ccccc1 ZINC000112478801 1120177295 /nfs/dbraw/zinc/17/72/95/1120177295.db2.gz BNCAYNMOQWQAAN-KRWDZBQOSA-N 0 1 271.408 3.831 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(F)c(F)c(F)c2)cc1 ZINC000112478707 1120177560 /nfs/dbraw/zinc/17/75/60/1120177560.db2.gz OXVVWYREZFLOIH-JTQLQIEISA-N 0 1 295.304 3.963 20 0 CHADMN C[C@@H]1CCC[C@@H](C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000314253009 1120179946 /nfs/dbraw/zinc/17/99/46/1120179946.db2.gz ZKKZBTTUJKNURI-ZIAGYGMSSA-N 0 1 287.403 3.569 20 0 CHADMN C[C@H]1CN(Cc2ccccc2)CCN1Cc1cccc(F)c1 ZINC000303836867 1120186080 /nfs/dbraw/zinc/18/60/80/1120186080.db2.gz LJNWPVJKPYOTOY-INIZCTEOSA-N 0 1 298.405 3.532 20 0 CHADMN Clc1ccc([C@@H]2CN(CC3CC=CC3)CCO2)cc1 ZINC000659849859 1120188438 /nfs/dbraw/zinc/18/84/38/1120188438.db2.gz SYJYQJHARHHZMX-INIZCTEOSA-N 0 1 277.795 3.680 20 0 CHADMN Cc1nc(CCN2CCc3cc(F)ccc3[C@@H]2C)cs1 ZINC000678076660 1120198308 /nfs/dbraw/zinc/19/83/08/1120198308.db2.gz ACEYMXWEPLBEIR-NSHDSACASA-N 0 1 290.407 3.752 20 0 CHADMN COc1ccc(CNC(C)(C)c2cccc(C)c2)o1 ZINC000893017293 1120198341 /nfs/dbraw/zinc/19/83/41/1120198341.db2.gz AIZXLVSLSXMIAJ-UHFFFAOYSA-N 0 1 259.349 3.622 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccccc2F)[C@@H](C)O)cc1C ZINC000584534648 1120198809 /nfs/dbraw/zinc/19/88/09/1120198809.db2.gz ZBEZZBHPEXNMBZ-RDTXWAMCSA-N 0 1 287.378 3.654 20 0 CHADMN CCOC1CCN([C@H](C)c2cc(F)ccc2F)CC1 ZINC000060483818 1120200254 /nfs/dbraw/zinc/20/02/54/1120200254.db2.gz FIZBFTPLBGHBES-LLVKDONJSA-N 0 1 269.335 3.527 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N[C@H](C)c1ncc(C)o1 ZINC000462796778 1120201381 /nfs/dbraw/zinc/20/13/81/1120201381.db2.gz WTFZKTAREIFHJB-GDBMZVCRSA-N 0 1 272.392 3.963 20 0 CHADMN Cc1cccc([C@@H](C)CNCc2nnc(C(C)C)s2)c1 ZINC000893041000 1120206929 /nfs/dbraw/zinc/20/69/29/1120206929.db2.gz JDPMPNQRWMWGJK-ZDUSSCGKSA-N 0 1 289.448 3.863 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1ccc(F)c(C)c1 ZINC000073007579 1120207393 /nfs/dbraw/zinc/20/73/93/1120207393.db2.gz TVRIJJUBQPGKCR-JTQLQIEISA-N 0 1 262.328 3.590 20 0 CHADMN Fc1cccc(C2(NCc3cnn(CC4CCC4)c3)CC2)c1 ZINC000921770051 1120207635 /nfs/dbraw/zinc/20/76/35/1120207635.db2.gz VBENUPHJVOCARI-UHFFFAOYSA-N 0 1 299.393 3.601 20 0 CHADMN COc1cc2ccnc(NCCC(C)(F)F)c2cc1OC ZINC000393643075 1120208147 /nfs/dbraw/zinc/20/81/47/1120208147.db2.gz RETUSDLYBFTBJV-UHFFFAOYSA-N 0 1 296.317 3.709 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CC[C@@H](C2CCC2)C1 ZINC000665286345 1120213941 /nfs/dbraw/zinc/21/39/41/1120213941.db2.gz JOBPHCIFTSBHDN-WCQYABFASA-N 0 1 277.412 3.550 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N1CC[C@H](C2CCCCC2)C1 ZINC000618181880 1128899190 /nfs/dbraw/zinc/89/91/90/1128899190.db2.gz TTZQBZAUAGXTAA-AWEZNQCLSA-N 0 1 297.402 3.605 20 0 CHADMN CCOC(=O)CCCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000338727734 1120217391 /nfs/dbraw/zinc/21/73/91/1120217391.db2.gz CRPGUJRIMNVCSY-HNNXBMFYSA-N 0 1 295.810 3.820 20 0 CHADMN CCc1cnc(CN(C)CCc2ccc(C)cc2)s1 ZINC000177772893 1120221578 /nfs/dbraw/zinc/22/15/78/1120221578.db2.gz NOBIWVBZAIYTOB-UHFFFAOYSA-N 0 1 274.433 3.688 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)c1cccc2cn[nH]c21 ZINC000039555670 1120226163 /nfs/dbraw/zinc/22/61/63/1120226163.db2.gz HFUMRTHXXBGKCQ-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN CCOc1ccccc1CN(C)CCOc1ccccc1 ZINC000061759039 1120229933 /nfs/dbraw/zinc/22/99/33/1120229933.db2.gz FUAJQFLCNYAWMP-UHFFFAOYSA-N 0 1 285.387 3.596 20 0 CHADMN CC(C)(C)c1coc(CNCC(C)(C)[C@@H]2CCCCO2)n1 ZINC000921840150 1120236466 /nfs/dbraw/zinc/23/64/66/1120236466.db2.gz YAVWDZFRKHLCLM-AWEZNQCLSA-N 0 1 294.439 3.657 20 0 CHADMN CC(C)[C@H]1N(Cc2cnc(C3CC3)o2)CC12CCC2 ZINC000628290891 1120241165 /nfs/dbraw/zinc/24/11/65/1120241165.db2.gz BNLBZBZQAMTDKI-CQSZACIVSA-N 0 1 260.381 3.563 20 0 CHADMN COc1ccc2c(c1)CN(c1ccnc(C)c1Cl)C2 ZINC000656222362 1120247064 /nfs/dbraw/zinc/24/70/64/1120247064.db2.gz JEJKSBBYKWZWIA-UHFFFAOYSA-N 0 1 274.751 3.572 20 0 CHADMN C/C(=C/c1ccc(Cl)cc1)c1nc([C@@H](N)C(C)C)no1 ZINC000843148968 1120247557 /nfs/dbraw/zinc/24/75/57/1120247557.db2.gz GVPBBKQECDHSMH-KJJQSCHISA-N 0 1 291.782 3.939 20 0 CHADMN C[N@H+](Cc1cccc(Cl)c1[O-])Cc1ccccc1F ZINC000179566005 1120250579 /nfs/dbraw/zinc/25/05/79/1120250579.db2.gz ATXRIGUCYCIGJA-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN Cc1ccc(-c2nc([C@@H](N)C(C)C)no2)c(Cl)c1C ZINC000843150042 1120251590 /nfs/dbraw/zinc/25/15/90/1120251590.db2.gz RRIYPALMFMZQGR-LBPRGKRZSA-N 0 1 279.771 3.663 20 0 CHADMN C/C(=C\c1ccc(C)cc1)c1nc([C@@H](N)C(C)C)no1 ZINC000843149957 1120251947 /nfs/dbraw/zinc/25/19/47/1120251947.db2.gz QWFZPYIAVGMTHS-TZIYXEQSSA-N 0 1 271.364 3.594 20 0 CHADMN CCc1[nH]nc(Cl)c1CNCc1c(C)cccc1C ZINC000921861637 1120256701 /nfs/dbraw/zinc/25/67/01/1120256701.db2.gz KLCJOZFGXBMGKI-UHFFFAOYSA-N 0 1 277.799 3.532 20 0 CHADMN C[C@H](NC[C@@H](O)c1ccccc1)c1c(F)cccc1Cl ZINC000181747510 1128902573 /nfs/dbraw/zinc/90/25/73/1128902573.db2.gz ISUYTCZGQJMDNB-XHDPSFHLSA-N 0 1 293.769 3.863 20 0 CHADMN C[C@H]1Cc2ccccc2[C@@H]1NCc1cccc(F)c1F ZINC000111411592 1120260459 /nfs/dbraw/zinc/26/04/59/1120260459.db2.gz ZJXDVJNVCYWHFS-APPDUMDISA-N 0 1 273.326 3.988 20 0 CHADMN CC[C@@H](NCc1ncc(C)o1)C(C)(C)c1ccccc1 ZINC000180008148 1120261319 /nfs/dbraw/zinc/26/13/19/1120261319.db2.gz FLKOCUWMLUCXRG-OAHLLOKOSA-N 0 1 272.392 3.829 20 0 CHADMN c1ccc2c(c1)CN(Cc1cccc3cccnc31)C2 ZINC000106302945 1120261327 /nfs/dbraw/zinc/26/13/27/1120261327.db2.gz WYJJYPXBVRPEAC-UHFFFAOYSA-N 0 1 260.340 3.751 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2noc3c2CCCC3)C1 ZINC000112090196 1120276428 /nfs/dbraw/zinc/27/64/28/1120276428.db2.gz APSCKPBQLNIFAE-CYBMUJFWSA-N 0 1 294.464 3.661 20 0 CHADMN COc1cccc(CCC[N@@H+](C)Cc2cnc(C)s2)c1 ZINC000172755640 1120278184 /nfs/dbraw/zinc/27/81/84/1120278184.db2.gz ZVYFUZWXICKHJF-UHFFFAOYSA-N 0 1 290.432 3.525 20 0 CHADMN Fc1ccccc1[C@@H]1CCN(Cc2cc(C3CC3)no2)C1 ZINC000659907887 1120279190 /nfs/dbraw/zinc/27/91/90/1120279190.db2.gz ALVMKHAMXSFYGF-CYBMUJFWSA-N 0 1 286.350 3.681 20 0 CHADMN CCCN(Cc1nnc(-c2cccc(Cl)c2)o1)C1CC1 ZINC000106860746 1120279848 /nfs/dbraw/zinc/27/98/48/1120279848.db2.gz NWZYXNJMHPZUAF-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN CCCc1noc(CN2C[C@H](c3ccccc3C)C[C@@H]2C)n1 ZINC000076386160 1120282707 /nfs/dbraw/zinc/28/27/07/1120282707.db2.gz PBVFXUJSTJFHNC-LSDHHAIUSA-N 0 1 299.418 3.709 20 0 CHADMN CCCCN(CCOC)Cc1nsc2ccccc12 ZINC000659916763 1120283892 /nfs/dbraw/zinc/28/38/92/1120283892.db2.gz OPBDWILJYYBXSC-UHFFFAOYSA-N 0 1 278.421 3.545 20 0 CHADMN Fc1ccc(C2CC(NCc3ncccc3F)C2)c(F)c1 ZINC000893183965 1120285724 /nfs/dbraw/zinc/28/57/24/1120285724.db2.gz TXWYZHZQLNSJLO-UHFFFAOYSA-N 0 1 292.304 3.535 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2cccc(OC)c2Cl)C1 ZINC000659927308 1120289833 /nfs/dbraw/zinc/28/98/33/1120289833.db2.gz GHJGKUWVVSRBBG-CYBMUJFWSA-N 0 1 297.826 3.597 20 0 CHADMN [O-]c1cccc2c(N3CCC4(CCC4)CC3)cc[nH+]c12 ZINC000672329760 1120290249 /nfs/dbraw/zinc/29/02/49/1120290249.db2.gz GUHNKAXERUDJFY-UHFFFAOYSA-N 0 1 268.360 3.711 20 0 CHADMN C[C@H]1CSC[C@@H]1Nc1ccnc2cc(F)ccc21 ZINC000672327451 1120290619 /nfs/dbraw/zinc/29/06/19/1120290619.db2.gz YUABBOSKGJONSE-XPTSAGLGSA-N 0 1 262.353 3.537 20 0 CHADMN Cc1cc(N2CCC[C@H]3C[C@H]32)c2cc(F)ccc2n1 ZINC000672323659 1120290734 /nfs/dbraw/zinc/29/07/34/1120290734.db2.gz NMWAHUAKEADMRH-XHDPSFHLSA-N 0 1 256.324 3.671 20 0 CHADMN Cc1nc(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)c(C)o1 ZINC000659929196 1120291076 /nfs/dbraw/zinc/29/10/76/1120291076.db2.gz QJOMJENHGCKYGG-SFHVURJKSA-N 0 1 284.403 3.845 20 0 CHADMN Cc1nc(CN2CCC[C@](C)(c3ccccc3)C2)c(C)o1 ZINC000659929196 1120291080 /nfs/dbraw/zinc/29/10/80/1120291080.db2.gz QJOMJENHGCKYGG-SFHVURJKSA-N 0 1 284.403 3.845 20 0 CHADMN Cc1nc(CN2CCC[C@]3(CC=CCC3)C2)c(C)o1 ZINC000659928939 1120291534 /nfs/dbraw/zinc/29/15/34/1120291534.db2.gz YPSRWFKUHKXCPT-MRXNPFEDSA-N 0 1 260.381 3.614 20 0 CHADMN Cc1nc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)c(C)o1 ZINC000659928939 1120291530 /nfs/dbraw/zinc/29/15/30/1120291530.db2.gz YPSRWFKUHKXCPT-MRXNPFEDSA-N 0 1 260.381 3.614 20 0 CHADMN CCn1cc(CN(C)Cc2cccc(C(C)C)c2)cn1 ZINC000659929383 1120291615 /nfs/dbraw/zinc/29/16/15/1120291615.db2.gz SEEKRZXWGXWXKB-UHFFFAOYSA-N 0 1 271.408 3.658 20 0 CHADMN c1cncc([C@@H](NCc2nccc3c2CCCC3)C2CC2)c1 ZINC000921937557 1120294005 /nfs/dbraw/zinc/29/40/05/1120294005.db2.gz MATRINRRBVNGJT-IBGZPJMESA-N 0 1 293.414 3.596 20 0 CHADMN Cc1nc(CN2CCC(C(C)(C)C)CC2)c(C)o1 ZINC000659934593 1120294841 /nfs/dbraw/zinc/29/48/41/1120294841.db2.gz QPWNMZHQRALUJS-UHFFFAOYSA-N 0 1 250.386 3.550 20 0 CHADMN C[C@H](N[C@@H]1CSC1(C)C)c1nc2c(s1)CCCC2 ZINC000338778072 1120299982 /nfs/dbraw/zinc/29/99/82/1120299982.db2.gz OSWUCYIMCFTPJK-JOYOIKCWSA-N 0 1 282.478 3.567 20 0 CHADMN COc1cccc(C[N@@H+](C)CCCOC(C)C)c1Cl ZINC000659947764 1120303340 /nfs/dbraw/zinc/30/33/40/1120303340.db2.gz PWAPSWKZJUPYPU-UHFFFAOYSA-N 0 1 285.815 3.596 20 0 CHADMN COc1cccc(CN(C)CCCOC(C)C)c1Cl ZINC000659947764 1120303343 /nfs/dbraw/zinc/30/33/43/1120303343.db2.gz PWAPSWKZJUPYPU-UHFFFAOYSA-N 0 1 285.815 3.596 20 0 CHADMN CC(C)c1ccc(CNC(=O)c2n[nH]c3ccccc32)cc1 ZINC000387761478 1120303361 /nfs/dbraw/zinc/30/33/61/1120303361.db2.gz DAWLCMYAHFDVHH-UHFFFAOYSA-N 0 1 293.370 3.616 20 0 CHADMN CC(C)c1cc(=O)n(-c2ccccc2OC(F)(F)F)[nH]1 ZINC001245918152 1131243516 /nfs/dbraw/zinc/24/35/16/1131243516.db2.gz WPYQAMYAMNKXTD-UHFFFAOYSA-N 0 1 286.253 3.600 20 0 CHADMN CC(C)c1cc(C(=O)N(C)[C@H]2CCC[C@H]2C(C)(C)C)n[nH]1 ZINC000416298220 1120308507 /nfs/dbraw/zinc/30/85/07/1120308507.db2.gz YLSTZASQXRGNOC-DOMZBBRYSA-N 0 1 291.439 3.820 20 0 CHADMN CC[C@H]1CCCN(CC(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000522712837 1120309171 /nfs/dbraw/zinc/30/91/71/1120309171.db2.gz HITFEPMLWKSMOS-AWEZNQCLSA-N 0 1 292.398 3.585 20 0 CHADMN C=C/C(C)=C\CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000672486819 1120314157 /nfs/dbraw/zinc/31/41/57/1120314157.db2.gz UDYWCQLVJAVLKT-YWEYNIOJSA-N 0 1 269.703 3.646 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCOC[C@@H]1c1ccccc1 ZINC000659968143 1120315880 /nfs/dbraw/zinc/31/58/80/1120315880.db2.gz AKRVNNTURCCNDY-DZGCQCFKSA-N 0 1 283.362 3.741 20 0 CHADMN COc1ccc2c(c1)OCC[C@@H]2N[C@@H](C)c1cncc(C)c1 ZINC000363809328 1120316875 /nfs/dbraw/zinc/31/68/75/1120316875.db2.gz BHNKRNBRYQKVKA-GUYCJALGSA-N 0 1 298.386 3.573 20 0 CHADMN CC(C)(C)CC(C)(C)NCc1nc(-c2ccco2)no1 ZINC000077183460 1120317387 /nfs/dbraw/zinc/31/73/87/1120317387.db2.gz NYRUSJASARHEFC-UHFFFAOYSA-N 0 1 277.368 3.634 20 0 CHADMN CCC[C@@H](C)CCC[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000629360304 1128907787 /nfs/dbraw/zinc/90/77/87/1128907787.db2.gz OMEMEYZDNNOCPW-GFCCVEGCSA-N 0 1 281.396 3.934 20 0 CHADMN CC(C)CCN(C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000077211882 1120319845 /nfs/dbraw/zinc/31/98/45/1120319845.db2.gz LBAXUFSVOSIVAT-LLVKDONJSA-N 0 1 279.409 3.837 20 0 CHADMN Clc1ncsc1CN1CCC[C@@H]2CCCC[C@H]21 ZINC001137823009 1120321565 /nfs/dbraw/zinc/32/15/65/1120321565.db2.gz NYVZDJWECAANRB-WDEREUQCSA-N 0 1 270.829 3.951 20 0 CHADMN C[C@H]1CN(Cc2cnc3ccccc3n2)[C@H]1c1ccccc1 ZINC000659986471 1120326178 /nfs/dbraw/zinc/32/61/78/1120326178.db2.gz LDMNOBKXMZEXKO-IFXJQAMLSA-N 0 1 289.382 3.823 20 0 CHADMN Cc1cccnc1[C@@H](N[C@@H](C)c1ccncc1)C(C)C ZINC000172818162 1120327939 /nfs/dbraw/zinc/32/79/39/1120327939.db2.gz JRHURTZWBFPTII-HOCLYGCPSA-N 0 1 269.392 3.833 20 0 CHADMN CCc1ccc(CN2CC(CC(F)(F)F)C2)cc1 ZINC000656686032 1120328173 /nfs/dbraw/zinc/32/81/73/1120328173.db2.gz RXVGMGRGMGIMDZ-UHFFFAOYSA-N 0 1 257.299 3.633 20 0 CHADMN CC[C@H](c1ccccc1OC)N(C)Cc1cc(C)ccn1 ZINC000672577554 1120328925 /nfs/dbraw/zinc/32/89/25/1120328925.db2.gz PQETYHJTJHWBOB-QGZVFWFLSA-N 0 1 284.403 3.982 20 0 CHADMN COc1cccc(C[C@@H](N[C@@H]2CCCC2(F)F)C2CC2)c1 ZINC000672620380 1120334328 /nfs/dbraw/zinc/33/43/28/1120334328.db2.gz MARGSZBNSMKUDG-HZPDHXFCSA-N 0 1 295.373 3.794 20 0 CHADMN CC(C)CSCCCNCc1nnc(C(C)C)s1 ZINC000893245185 1120334567 /nfs/dbraw/zinc/33/45/67/1120334567.db2.gz ILMLJANMDGSGBV-UHFFFAOYSA-N 0 1 287.498 3.530 20 0 CHADMN C[C@H](N[C@@H]1CCCC1(F)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000672622396 1120335075 /nfs/dbraw/zinc/33/50/75/1120335075.db2.gz GUUDNKBALVWESG-CYUUQNCZSA-N 0 1 265.347 3.956 20 0 CHADMN CC[C@H](Cc1cccs1)N[C@H]1CCCC1(F)F ZINC000672622634 1120337147 /nfs/dbraw/zinc/33/71/47/1120337147.db2.gz ONBMMDHFGZWJHI-PWSUYJOCSA-N 0 1 259.365 3.847 20 0 CHADMN C[C@@H]1CN(Cc2nc3cc(F)ccc3o2)CC(C)(C)C1 ZINC000544110100 1120338005 /nfs/dbraw/zinc/33/80/05/1120338005.db2.gz ADOGBSBEFXRLFK-NSHDSACASA-N 0 1 276.355 3.835 20 0 CHADMN Cc1cccc([C@H](C)NCc2nn(C)c3ccccc23)c1 ZINC000157330760 1120338667 /nfs/dbraw/zinc/33/86/67/1120338667.db2.gz SCGBUEQLPBPEEK-AWEZNQCLSA-N 0 1 279.387 3.733 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCCC2CCCC2)[C@@H]2CCC[C@H]21 ZINC000629373349 1128909317 /nfs/dbraw/zinc/90/93/17/1128909317.db2.gz IDBVKBAPPQMCDW-ARFHVFGLSA-N 0 1 279.424 3.532 20 0 CHADMN CO[C@H](CN[C@H](c1ccccc1)c1ccccn1)C1CCC1 ZINC000660021382 1120343774 /nfs/dbraw/zinc/34/37/74/1120343774.db2.gz MKWQXYDEWPKSOX-RTBURBONSA-N 0 1 296.414 3.576 20 0 CHADMN C[C@H](NCc1c2c(nn1C)CCC2)c1cc2ccccc2o1 ZINC000922038338 1120344561 /nfs/dbraw/zinc/34/45/61/1120344561.db2.gz KLFOAIBVOCEHJX-LBPRGKRZSA-N 0 1 295.386 3.506 20 0 CHADMN CN(Cc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC001143505152 1120345240 /nfs/dbraw/zinc/34/52/40/1120345240.db2.gz AFAFQBCOCVEANA-LLVKDONJSA-N 0 1 293.716 3.580 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCCN1Cc1cccc(Cl)c1F ZINC000228437945 1120345722 /nfs/dbraw/zinc/34/57/22/1120345722.db2.gz JBNAPQHMOBUBEK-YPMHNXCESA-N 0 1 285.790 3.605 20 0 CHADMN Cc1nc(CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)co1 ZINC000660040336 1120350651 /nfs/dbraw/zinc/35/06/51/1120350651.db2.gz CQOKBTDAIBXJPI-HNNXBMFYSA-N 0 1 295.386 3.844 20 0 CHADMN COc1cc(CN[C@@H](c2ccccc2)C2CCCC2)on1 ZINC000660071569 1120361115 /nfs/dbraw/zinc/36/11/15/1120361115.db2.gz TXQZYOKVVTXMKI-KRWDZBQOSA-N 0 1 286.375 3.704 20 0 CHADMN Cc1ncc(CN2CC[C@H](c3cccc(Cl)c3)C2)o1 ZINC000628294227 1120363007 /nfs/dbraw/zinc/36/30/07/1120363007.db2.gz JSCCGUXLJQXGGT-ZDUSSCGKSA-N 0 1 276.767 3.626 20 0 CHADMN CCOC1CCN([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000618443800 1128912490 /nfs/dbraw/zinc/91/24/90/1128912490.db2.gz SARGKJCNMHDRBA-NSHDSACASA-N 0 1 269.335 3.527 20 0 CHADMN CC[N@@H+](Cc1ccc(Cl)cc1)[C@H](CC(C)C)C(=O)[O-] ZINC000629483645 1128912515 /nfs/dbraw/zinc/91/25/15/1128912515.db2.gz IUCHAJLAKQPIAN-CQSZACIVSA-N 0 1 283.799 3.661 20 0 CHADMN Cc1nc2ccc(NC(=O)CCc3cccs3)cc2[nH]1 ZINC000010896294 1120378087 /nfs/dbraw/zinc/37/80/87/1120378087.db2.gz WKBCPOWOSJQBEM-UHFFFAOYSA-N 0 1 285.372 3.504 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1CC(=O)Nc1cc(Cl)ccc1F ZINC000467206001 1120380370 /nfs/dbraw/zinc/38/03/70/1120380370.db2.gz IOGHNBRAOAHZFQ-PWSUYJOCSA-N 0 1 298.789 3.538 20 0 CHADMN Cc1nc(CN2CCC(C)(c3ccccc3)CC2)co1 ZINC000660125110 1120389147 /nfs/dbraw/zinc/38/91/47/1120389147.db2.gz ZWZNVYNSOFORIB-UHFFFAOYSA-N 0 1 270.376 3.537 20 0 CHADMN CSc1cccc(CN(C)[C@@H](C)c2ccccn2)c1 ZINC000660139476 1120394403 /nfs/dbraw/zinc/39/44/03/1120394403.db2.gz AOBACLHMZWNHOJ-ZDUSSCGKSA-N 0 1 272.417 3.997 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cc(C)ccc1C ZINC000078679664 1120398851 /nfs/dbraw/zinc/39/88/51/1120398851.db2.gz IZFKDBBOCYLTMV-LBPRGKRZSA-N 0 1 258.365 3.759 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1ccc(Cl)s1 ZINC000078679686 1120398899 /nfs/dbraw/zinc/39/88/99/1120398899.db2.gz GKMDCPYLTGSXRH-SSDOTTSWSA-N 0 1 270.785 3.857 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1ccc(OC(F)F)cc1 ZINC000078679595 1120398914 /nfs/dbraw/zinc/39/89/14/1120398914.db2.gz FXDMAUAEXMMRRW-SECBINFHSA-N 0 1 296.317 3.744 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cccc2cccnc21 ZINC000078679817 1120399904 /nfs/dbraw/zinc/39/99/04/1120399904.db2.gz KLTRDQQOFCNYDH-NSHDSACASA-N 0 1 281.359 3.690 20 0 CHADMN FC(F)CN[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000681411311 1120400482 /nfs/dbraw/zinc/40/04/82/1120400482.db2.gz SPDSGQQOBLIREE-KGLIPLIRSA-N 0 1 253.336 3.643 20 0 CHADMN Cc1cccc(C2=CCN(CCO[C@H]3CC3(F)F)CC2)c1 ZINC000660167140 1120410612 /nfs/dbraw/zinc/41/06/12/1120410612.db2.gz ZISNULUQVSUKKS-INIZCTEOSA-N 0 1 293.357 3.508 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H](C)c1ccc(C)nc1C ZINC000682143639 1120411337 /nfs/dbraw/zinc/41/13/37/1120411337.db2.gz OVBADUYDJUYWBA-UONOGXRCSA-N 0 1 285.391 3.514 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H]2CCS[C@@H]2C)cs1 ZINC000682162170 1120411884 /nfs/dbraw/zinc/41/18/84/1120411884.db2.gz FQUANVIYLAFJLV-HBNTYKKESA-N 0 1 270.467 3.811 20 0 CHADMN Cc1cc(CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)no1 ZINC000613734588 1120411990 /nfs/dbraw/zinc/41/19/90/1120411990.db2.gz PQPIIPHKAGDLNW-HNNXBMFYSA-N 0 1 295.386 3.844 20 0 CHADMN C[C@@H](Cc1ccsc1)N1CCOC[C@@H]1c1ccccc1 ZINC000543093012 1120413726 /nfs/dbraw/zinc/41/37/26/1120413726.db2.gz SUCRZVSLVSVOKQ-WMLDXEAASA-N 0 1 287.428 3.753 20 0 CHADMN C[C@H](Cc1ccsc1)N1CCOC[C@H]1c1ccccc1 ZINC000543093010 1120414077 /nfs/dbraw/zinc/41/40/77/1120414077.db2.gz SUCRZVSLVSVOKQ-PBHICJAKSA-N 0 1 287.428 3.753 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CCCC[C@@H]1C ZINC000066828431 1120414090 /nfs/dbraw/zinc/41/40/90/1120414090.db2.gz PHKHVYMARHBXKF-LBPRGKRZSA-N 0 1 275.371 3.570 20 0 CHADMN C[C@@H](CN(C)Cc1nc(-c2ccco2)no1)c1ccccc1 ZINC000066853667 1120414818 /nfs/dbraw/zinc/41/48/18/1120414818.db2.gz PCKDEBZLDSJKMV-ZDUSSCGKSA-N 0 1 297.358 3.565 20 0 CHADMN CCC1(c2noc([C@H](CC(C)(C)C)NC)n2)CCCC1 ZINC000843224655 1120419346 /nfs/dbraw/zinc/41/93/46/1120419346.db2.gz QRMCNFLWSSBOEK-LBPRGKRZSA-N 0 1 279.428 3.988 20 0 CHADMN CC[C@@H]1c2ccsc2CC[N@@H+]1CCCCCC(=O)[O-] ZINC000584724409 1120421576 /nfs/dbraw/zinc/42/15/76/1120421576.db2.gz BXEUHHHYXKPPRX-CYBMUJFWSA-N 0 1 281.421 3.702 20 0 CHADMN C[C@H](CC1CCC1)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000682998471 1120434047 /nfs/dbraw/zinc/43/40/47/1120434047.db2.gz CVQCKEPNUHQEAG-KGLIPLIRSA-N 0 1 299.418 3.890 20 0 CHADMN C[C@H](N[C@H]1C[C@@](C)(O)C1)c1cc(Cl)sc1Cl ZINC000417359353 1120435219 /nfs/dbraw/zinc/43/52/19/1120435219.db2.gz VMQAUFDWTXAXPR-OKTBNZSVSA-N 0 1 280.220 3.619 20 0 CHADMN CO[C@@H](CN[C@@H](c1ccccc1)c1ccccn1)CC(C)C ZINC000417366951 1120438904 /nfs/dbraw/zinc/43/89/04/1120438904.db2.gz NLIMLXSVVXQCMB-MJGOQNOKSA-N 0 1 298.430 3.822 20 0 CHADMN Cc1ccc(OC[C@@H](C)N[C@H](C)c2cscn2)cc1 ZINC000162397099 1120439656 /nfs/dbraw/zinc/43/96/56/1120439656.db2.gz LEMLCKTUDYJIOA-CHWSQXEVSA-N 0 1 276.405 3.570 20 0 CHADMN Cc1ccsc1C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000511623748 1120442206 /nfs/dbraw/zinc/44/22/06/1120442206.db2.gz AUGMDBIEEOVSDR-MRXNPFEDSA-N 0 1 287.428 3.802 20 0 CHADMN CS[C@H]1CCCC[N@H+]([C@@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000584785555 1120447641 /nfs/dbraw/zinc/44/76/41/1120447641.db2.gz LUQWVMULUUUNRX-JQWIXIFHSA-N 0 1 297.420 3.565 20 0 CHADMN CC(C)=CCCN1CCc2c(ncn2-c2ccccc2)C1 ZINC000660220591 1120449395 /nfs/dbraw/zinc/44/93/95/1120449395.db2.gz KQSLOVNTVJHLRC-UHFFFAOYSA-N 0 1 281.403 3.587 20 0 CHADMN C[C@H](NCC1CCC(C(F)(F)F)CC1)C(F)F ZINC000641793900 1120451997 /nfs/dbraw/zinc/45/19/97/1120451997.db2.gz NWGOFOXEEUOIAU-UEJVZZJDSA-N 0 1 259.262 3.598 20 0 CHADMN CN(Cc1ncc(C(C)(C)C)o1)C[C@H]1CC=CCC1 ZINC000543172481 1120452621 /nfs/dbraw/zinc/45/26/21/1120452621.db2.gz LSBTWWJBXGNJKX-ZDUSSCGKSA-N 0 1 262.397 3.760 20 0 CHADMN CC(C)C[C@@H](C)CC(=O)NC[C@H](c1cccs1)N(C)C ZINC000067900725 1120456129 /nfs/dbraw/zinc/45/61/29/1120456129.db2.gz ZOKYEAMOWIEIDX-ZIAGYGMSSA-N 0 1 296.480 3.539 20 0 CHADMN CC(C)c1cccc(CN[C@@H](CO)c2cccc(F)c2)c1 ZINC000660237117 1120458162 /nfs/dbraw/zinc/45/81/62/1120458162.db2.gz WDIQZPLNUZLGLB-SFHVURJKSA-N 0 1 287.378 3.772 20 0 CHADMN Cc1ccc(CN2CCCC[C@@](C)(F)C2)c(F)c1 ZINC001141191512 1120460531 /nfs/dbraw/zinc/46/05/31/1120460531.db2.gz NKYDOMGXZPHGPH-OAHLLOKOSA-N 0 1 253.336 3.848 20 0 CHADMN CCCc1cc(C(=O)N2CC[C@@H](C(C)(C)C)C[C@@H]2C)n[nH]1 ZINC000673395207 1120466637 /nfs/dbraw/zinc/46/66/37/1120466637.db2.gz JHSPAMUDBJPAJU-QWHCGFSZSA-N 0 1 291.439 3.649 20 0 CHADMN C[C@H]1CCCC[C@H]1NCc1ncsc1Br ZINC000660255884 1120467573 /nfs/dbraw/zinc/46/75/73/1120467573.db2.gz AXLDLBXJZREQMU-DTWKUNHWSA-N 0 1 289.242 3.574 20 0 CHADMN COc1cc(CN[C@@H](CC(C)C)c2cccs2)on1 ZINC000660254319 1120468809 /nfs/dbraw/zinc/46/88/09/1120468809.db2.gz PADKCERCNNHATK-LBPRGKRZSA-N 0 1 280.393 3.622 20 0 CHADMN FC1(F)CCN([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168714616 1120478762 /nfs/dbraw/zinc/47/87/62/1120478762.db2.gz CWNDNLNHMPBDKM-LLVKDONJSA-N 0 1 271.738 3.538 20 0 CHADMN Cc1nc(CN2CC[C@@H](C)C3(CCCCC3)C2)co1 ZINC000660285842 1120483754 /nfs/dbraw/zinc/48/37/54/1120483754.db2.gz FSMPMMZHDXTITI-CYBMUJFWSA-N 0 1 262.397 3.775 20 0 CHADMN CCCc1nc(CN(CC2CC2)C2CCCCC2)no1 ZINC000069078869 1120491713 /nfs/dbraw/zinc/49/17/13/1120491713.db2.gz UEDQSXQGMIBPNX-UHFFFAOYSA-N 0 1 277.412 3.567 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccc3c(c2)C[C@H](C)O3)s1 ZINC000922305367 1120503779 /nfs/dbraw/zinc/50/37/79/1120503779.db2.gz FZVCDNGSPJENIB-WDEREUQCSA-N 0 1 288.416 3.626 20 0 CHADMN COc1cccc(F)c1[C@@H](C)NCCSC(C)C ZINC000310983142 1120506624 /nfs/dbraw/zinc/50/66/24/1120506624.db2.gz YHECMZOBDFASPF-LLVKDONJSA-N 0 1 271.401 3.627 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc(Br)n1)c1ccc[nH]1 ZINC000925643810 1120507984 /nfs/dbraw/zinc/50/79/84/1120507984.db2.gz IHUOYWLKTAJHIQ-NXEZZACHSA-N 0 1 294.196 3.584 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc(Br)n1)c1ccc[nH]1 ZINC000925643811 1120508052 /nfs/dbraw/zinc/50/80/52/1120508052.db2.gz IHUOYWLKTAJHIQ-UWVGGRQHSA-N 0 1 294.196 3.584 20 0 CHADMN Fc1cccc(C[N@H+]2CC[C@H]3CCC[C@H]32)c1OC(F)F ZINC000660332620 1120509287 /nfs/dbraw/zinc/50/92/87/1120509287.db2.gz RUHMVCWSTFZSGF-ZWNOBZJWSA-N 0 1 285.309 3.802 20 0 CHADMN Fc1cccc(CN2CC[C@H]3CCC[C@H]32)c1OC(F)F ZINC000660332620 1120509289 /nfs/dbraw/zinc/50/92/89/1120509289.db2.gz RUHMVCWSTFZSGF-ZWNOBZJWSA-N 0 1 285.309 3.802 20 0 CHADMN CN(Cc1c(F)cccc1F)C[C@@H]1CC=CCC1 ZINC000543413114 1120515054 /nfs/dbraw/zinc/51/50/54/1120515054.db2.gz XHFKNVWHCWLWHK-GFCCVEGCSA-N 0 1 251.320 3.753 20 0 CHADMN c1cn(-c2ccccc2)c(CN2CCC3(CCCC3)C2)n1 ZINC000191351893 1120519918 /nfs/dbraw/zinc/51/99/18/1120519918.db2.gz OYTXLGDJDDWFQG-UHFFFAOYSA-N 0 1 281.403 3.638 20 0 CHADMN CCc1nc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)cs1 ZINC000355071028 1120521579 /nfs/dbraw/zinc/52/15/79/1120521579.db2.gz AVVSOHRLRARXAP-UTUOFQBUSA-N 0 1 252.427 3.572 20 0 CHADMN CCCn1cc(CNCc2cccc(C(F)(F)F)c2)cn1 ZINC000116912180 1120522644 /nfs/dbraw/zinc/52/26/44/1120522644.db2.gz RXALEVVTKCIVNN-UHFFFAOYSA-N 0 1 297.324 3.602 20 0 CHADMN CC(C)Cc1noc(CN[C@@H](C)[C@H](C)C2CCCCC2)n1 ZINC000543461299 1120527482 /nfs/dbraw/zinc/52/74/82/1120527482.db2.gz YIXJWUWXNFCBPK-KBPBESRZSA-N 0 1 293.455 3.963 20 0 CHADMN Cc1ccc(NC(=O)c2ccc(O)c(Cl)c2)cc1F ZINC000019839979 1120529858 /nfs/dbraw/zinc/52/98/58/1120529858.db2.gz TUMCFIIWYWWEOP-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN FC(F)(F)c1cnc(CNC[C@@]23C[C@@H]2CCCC3)s1 ZINC000922426114 1120538370 /nfs/dbraw/zinc/53/83/70/1120538370.db2.gz OHVOIUKASASFHD-JOYOIKCWSA-N 0 1 290.354 3.832 20 0 CHADMN C[N@@H+](Cc1cc(C2CC2)no1)CC1(c2ccccc2)CC1 ZINC000660368350 1120539712 /nfs/dbraw/zinc/53/97/12/1120539712.db2.gz ZDUZFADLNNIEDT-UHFFFAOYSA-N 0 1 282.387 3.716 20 0 CHADMN CN(Cc1cc(C2CC2)no1)CC1(c2ccccc2)CC1 ZINC000660368350 1120539713 /nfs/dbraw/zinc/53/97/13/1120539713.db2.gz ZDUZFADLNNIEDT-UHFFFAOYSA-N 0 1 282.387 3.716 20 0 CHADMN Cc1ccc(F)cc1CNCc1nccc2c1CCCC2 ZINC000922465272 1120540445 /nfs/dbraw/zinc/54/04/45/1120540445.db2.gz AFNIABAGMCHURD-UHFFFAOYSA-N 0 1 284.378 3.698 20 0 CHADMN Cc1cc(F)ccc1CNCc1nccc2c1CCCC2 ZINC000922467465 1120542062 /nfs/dbraw/zinc/54/20/62/1120542062.db2.gz UXWVNVCTUXTPPC-UHFFFAOYSA-N 0 1 284.378 3.698 20 0 CHADMN COC/C(C)=C/CNC(C)(C)c1nc2ccccc2s1 ZINC000931165385 1120543660 /nfs/dbraw/zinc/54/36/60/1120543660.db2.gz KHIZODWXDVUPBY-FMIVXFBMSA-N 0 1 290.432 3.714 20 0 CHADMN C[C@@H](NCc1ccccn1)c1ccc(C(F)(F)F)cc1 ZINC000019958059 1120551302 /nfs/dbraw/zinc/55/13/02/1120551302.db2.gz JIJFYQWJRONJBQ-LLVKDONJSA-N 0 1 280.293 3.951 20 0 CHADMN C[C@H]1CCCC[N@H+]1CCCNc1cc(F)ccc1[S-] ZINC001167754312 1120552313 /nfs/dbraw/zinc/55/23/13/1120552313.db2.gz RUIVUDKQAYQNLV-LBPRGKRZSA-N 0 1 282.428 3.791 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@H]2CCCC2(F)F)C12CCCC2 ZINC000398005801 1120552381 /nfs/dbraw/zinc/55/23/81/1120552381.db2.gz QHIFLBSLRPDYKV-RWMBFGLXSA-N 0 1 273.367 3.502 20 0 CHADMN FC1(F)CCC[C@@H](N[C@H]2CCCc3scnc32)C1 ZINC000623921305 1120556620 /nfs/dbraw/zinc/55/66/20/1120556620.db2.gz ROPYNWOTNLSRGY-ZJUUUORDSA-N 0 1 272.364 3.688 20 0 CHADMN Clc1cccc(CN[C@H](c2ccccn2)C2CC2)c1 ZINC000922585174 1120557182 /nfs/dbraw/zinc/55/71/82/1120557182.db2.gz JIHGTJMJLKSVLF-INIZCTEOSA-N 0 1 272.779 3.976 20 0 CHADMN CC(C)n1ccnc1CN[C@H](C)COCC1CCCCC1 ZINC000922602202 1120561924 /nfs/dbraw/zinc/56/19/24/1120561924.db2.gz JVMGGLPJOUOYDE-OAHLLOKOSA-N 0 1 293.455 3.539 20 0 CHADMN CCc1cccc(CNCc2cccc(F)c2F)c1 ZINC000652032973 1120564619 /nfs/dbraw/zinc/56/46/19/1120564619.db2.gz QOTMLYJHEYKSJF-UHFFFAOYSA-N 0 1 261.315 3.817 20 0 CHADMN CC[C@@H](NCc1ccc(C)nc1)c1cc(F)ccc1OC ZINC000922623838 1120566130 /nfs/dbraw/zinc/56/61/30/1120566130.db2.gz VMYXFRAZRATDAK-MRXNPFEDSA-N 0 1 288.366 3.779 20 0 CHADMN CC(C)(/C=C\Cl)NCc1cnc(-c2ccncc2)s1 ZINC000922644050 1120570547 /nfs/dbraw/zinc/57/05/47/1120570547.db2.gz FGRCFODXNSEJNY-WAYWQWQTSA-N 0 1 293.823 3.826 20 0 CHADMN CN(CCOc1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000057971663 1120571392 /nfs/dbraw/zinc/57/13/92/1120571392.db2.gz FMNHGEFOBSWXOO-UHFFFAOYSA-N 0 1 295.304 3.615 20 0 CHADMN CSc1ccc(-c2ccc([C@@H]3COCCN3)cc2)cc1 ZINC000629693440 1128925421 /nfs/dbraw/zinc/92/54/21/1128925421.db2.gz HKHFSKOOJDTMSB-KRWDZBQOSA-N 0 1 285.412 3.736 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnc(Cl)c1)c1cncc(F)c1 ZINC000781926791 1120574234 /nfs/dbraw/zinc/57/42/34/1120574234.db2.gz YYQWNQHGHCKABC-VHSXEESVSA-N 0 1 279.746 3.681 20 0 CHADMN CCCN1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428933981 1120574193 /nfs/dbraw/zinc/57/41/93/1120574193.db2.gz VPJRLWOZFSSPRM-SMDDNHRTSA-N 0 1 287.325 3.877 20 0 CHADMN CC(C)N1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428930288 1120574572 /nfs/dbraw/zinc/57/45/72/1120574572.db2.gz WTHRZODCCWWAHT-SMDDNHRTSA-N 0 1 287.325 3.876 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(F)cc2C)sn1 ZINC000922665959 1120575108 /nfs/dbraw/zinc/57/51/08/1120575108.db2.gz UVKJTHUFSUTYHG-NSHDSACASA-N 0 1 264.369 3.750 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1ccoc1)[C@H]2C ZINC000781928183 1120576157 /nfs/dbraw/zinc/57/61/57/1120576157.db2.gz UGHBVWQLHCFHRR-OLZOCXBDSA-N 0 1 271.360 3.796 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(C)o2)cc1C ZINC000922674370 1120579775 /nfs/dbraw/zinc/57/97/75/1120579775.db2.gz VWWSCPHEMRWEDL-ZDUSSCGKSA-N 0 1 259.349 3.756 20 0 CHADMN C[C@H](NCc1ccccn1)c1ccc2c(c1)CCCC2 ZINC000020091751 1120582879 /nfs/dbraw/zinc/58/28/79/1120582879.db2.gz KTICBAXFZHAATM-AWEZNQCLSA-N 0 1 266.388 3.811 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccc(F)cc2)c1OC ZINC000020095805 1120584439 /nfs/dbraw/zinc/58/44/39/1120584439.db2.gz NZCGKAPZCHJBKT-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN C[C@H]1CC[C@@H](N(C)Cc2nc(C3CC3)cs2)C1 ZINC000429577980 1120585414 /nfs/dbraw/zinc/58/54/14/1120585414.db2.gz HLQIXKYNHCTKHA-CMPLNLGQSA-N 0 1 250.411 3.641 20 0 CHADMN CCc1ccc2ccccc2c1CNCc1conc1C ZINC000922715761 1120585991 /nfs/dbraw/zinc/58/59/91/1120585991.db2.gz NBAAXWHWKTVLOL-UHFFFAOYSA-N 0 1 280.371 3.988 20 0 CHADMN CC[C@@H]1CCC[C@@H]1NCc1ncsc1Br ZINC000660411164 1120586695 /nfs/dbraw/zinc/58/66/95/1120586695.db2.gz VDWZGVPNZWVREE-BDAKNGLRSA-N 0 1 289.242 3.574 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@@H](C)c1cnn(C2CCC2)c1 ZINC000925686116 1120587625 /nfs/dbraw/zinc/58/76/25/1120587625.db2.gz RUVWHYZONCYEQC-KBPBESRZSA-N 0 1 298.434 3.977 20 0 CHADMN c1cc(-c2noc(-c3cc(-c4ccccc4)n[nH]3)n2)cs1 ZINC000109478451 1120591497 /nfs/dbraw/zinc/59/14/97/1120591497.db2.gz SAWRMYLFTZCFFD-UHFFFAOYSA-N 0 1 294.339 3.855 20 0 CHADMN COc1cccc(F)c1[C@@H](C)NC/C=C\c1ccncc1 ZINC000487337887 1120599295 /nfs/dbraw/zinc/59/92/95/1120599295.db2.gz VFWHNOQIIUTTJO-DSYXLKISSA-N 0 1 286.350 3.593 20 0 CHADMN C[C@@H](c1ccccn1)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000182064379 1128927470 /nfs/dbraw/zinc/92/74/70/1128927470.db2.gz FZOBPNAZWRYHHG-NSHDSACASA-N 0 1 276.767 3.634 20 0 CHADMN C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000182064379 1128927473 /nfs/dbraw/zinc/92/74/73/1128927473.db2.gz FZOBPNAZWRYHHG-NSHDSACASA-N 0 1 276.767 3.634 20 0 CHADMN Cc1ccc2nc([C@@H]3C[C@@H](C)O[C@@H](C)C3)[nH]c2c1C ZINC000724357573 1120604848 /nfs/dbraw/zinc/60/48/48/1120604848.db2.gz LOLUFGJFXOWYDX-PTEHBNRSSA-N 0 1 258.365 3.851 20 0 CHADMN CCN(c1ccc(N[C@@H]2CCOC[C@@H]2C)cc1)C(C)C ZINC000195049805 1120613211 /nfs/dbraw/zinc/61/32/11/1120613211.db2.gz VATWBEBIYSKRGR-WMLDXEAASA-N 0 1 276.424 3.758 20 0 CHADMN Fc1cc(F)cc(CN[C@@H]2CCCc3cccnc32)c1 ZINC000922876924 1120616067 /nfs/dbraw/zinc/61/60/67/1120616067.db2.gz HOXJOQZIGYZWIH-OAHLLOKOSA-N 0 1 274.314 3.527 20 0 CHADMN CCCN(CC1OCCO1)[C@H](C)c1cc2ccccc2o1 ZINC000182076966 1128928496 /nfs/dbraw/zinc/92/84/96/1128928496.db2.gz QJDDIZRBYOUSOW-CYBMUJFWSA-N 0 1 289.375 3.579 20 0 CHADMN c1ccc2c(c1)ccnc2CN[C@@H]1CCCc2cccnc21 ZINC000922881185 1120616819 /nfs/dbraw/zinc/61/68/19/1120616819.db2.gz VORBQZIPRWODDY-QGZVFWFLSA-N 0 1 289.382 3.797 20 0 CHADMN CC(C)[C@H]1CCC2=NN(c3ncccc3Cl)C(=O)[C@H]2C1 ZINC000634594754 1128928794 /nfs/dbraw/zinc/92/87/94/1128928794.db2.gz GKZYKVDOWKKZNC-QWRGUYRKSA-N 0 1 291.782 3.510 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(-c3ccncc3)cc2)[nH]n1 ZINC000673629649 1120624094 /nfs/dbraw/zinc/62/40/94/1120624094.db2.gz KOQZVLISFUVOPY-AWEZNQCLSA-N 0 1 292.386 3.631 20 0 CHADMN CCCCN(C)Cc1coc(-c2ccccc2F)n1 ZINC000625047177 1120624330 /nfs/dbraw/zinc/62/43/30/1120624330.db2.gz JSTXBJQXOQCTNX-UHFFFAOYSA-N 0 1 262.328 3.713 20 0 CHADMN Cc1cccc(C)c1CCNCc1c(F)ccc(O)c1F ZINC000511687110 1120625578 /nfs/dbraw/zinc/62/55/78/1120625578.db2.gz KWVRECYBDVZZGX-UHFFFAOYSA-N 0 1 291.341 3.620 20 0 CHADMN CCCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000511716846 1120629874 /nfs/dbraw/zinc/62/98/74/1120629874.db2.gz WSTQOJCMMQYWPZ-UHFFFAOYSA-N 0 1 286.379 3.508 20 0 CHADMN Cc1nc(CN2CCC[C@@]3(CC=CCC3)C2)cs1 ZINC000120830538 1120632445 /nfs/dbraw/zinc/63/24/45/1120632445.db2.gz ZZAPEUVUTHGOLG-HNNXBMFYSA-N 0 1 262.422 3.774 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(C)cc2)nc1 ZINC000338896022 1120632822 /nfs/dbraw/zinc/63/28/22/1120632822.db2.gz SZGVDCZCUHDPOR-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN Cc1cc2c(cn1)CN([C@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168737836 1120635441 /nfs/dbraw/zinc/63/54/41/1120635441.db2.gz GJFHCSOWBUYLRS-HNNXBMFYSA-N 0 1 284.790 3.526 20 0 CHADMN CCC[C@@H](N[C@H](C)c1cc(C)n(C)n1)c1ccccc1 ZINC000282414400 1120636802 /nfs/dbraw/zinc/63/68/02/1120636802.db2.gz YISUFUVVICDNJE-GDBMZVCRSA-N 0 1 271.408 3.921 20 0 CHADMN Cc1cc(C)c(CN(C)CCC(F)(F)F)cc1C ZINC000511760247 1120639348 /nfs/dbraw/zinc/63/93/48/1120639348.db2.gz WTQZMWXTNHLCJL-UHFFFAOYSA-N 0 1 259.315 3.996 20 0 CHADMN CN(Cc1cc(C2CC2)no1)C(C)(C)c1ccccc1 ZINC000660492678 1120640167 /nfs/dbraw/zinc/64/01/67/1120640167.db2.gz BORYSKOXNMKSLC-UHFFFAOYSA-N 0 1 270.376 3.919 20 0 CHADMN COc1ccc(/C=C\c2ccc([C@@H]3COCCN3)cc2)cc1 ZINC000629730594 1128930307 /nfs/dbraw/zinc/93/03/07/1128930307.db2.gz NKEJQNRGSAVGMC-AXMVSILFSA-N 0 1 295.382 3.527 20 0 CHADMN CCc1ccc([C@H](NCc2cncc(OC)n2)C(C)C)cc1 ZINC000625228263 1120651157 /nfs/dbraw/zinc/65/11/57/1120651157.db2.gz IVZULHLUCBERGD-GOSISDBHSA-N 0 1 299.418 3.535 20 0 CHADMN COc1ccccc1C1(NCc2scnc2C)CCC1 ZINC001117668393 1120652822 /nfs/dbraw/zinc/65/28/22/1120652822.db2.gz DFGGNTLHVZCTLS-UHFFFAOYSA-N 0 1 288.416 3.629 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)co1 ZINC000660551237 1120655675 /nfs/dbraw/zinc/65/56/75/1120655675.db2.gz HWBVDBQLFJVHIZ-MRXNPFEDSA-N 0 1 296.374 3.505 20 0 CHADMN C[C@@H]1CCCC[C@H]1CCNC(=O)c1n[nH]c2ccccc21 ZINC000511823250 1120655891 /nfs/dbraw/zinc/65/58/91/1120655891.db2.gz GFGPKANSYRGLEM-OLZOCXBDSA-N 0 1 285.391 3.509 20 0 CHADMN Cc1cccc(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)c1 ZINC000511837986 1120660813 /nfs/dbraw/zinc/66/08/13/1120660813.db2.gz KVIQSNGVFFIJCE-APWZRJJASA-N 0 1 281.399 3.957 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccc3c(c2)CCC3)nc1 ZINC001168741345 1120664314 /nfs/dbraw/zinc/66/43/14/1120664314.db2.gz HEOQBPXFVVSTTP-CQSZACIVSA-N 0 1 296.414 3.820 20 0 CHADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1cccc(C)c1C ZINC000673731307 1120665813 /nfs/dbraw/zinc/66/58/13/1120665813.db2.gz UZFYZYCVTHNTRZ-UHFFFAOYSA-N 0 1 297.280 3.606 20 0 CHADMN Cc1ccc(OC[C@H](C)N[C@@H](C)c2nccs2)cc1 ZINC000086510196 1120667585 /nfs/dbraw/zinc/66/75/85/1120667585.db2.gz KEJUQNQWGQSCHX-STQMWFEESA-N 0 1 276.405 3.570 20 0 CHADMN Cc1ccc(O)c(-c2ccc(F)c(CN(C)C)c2)c1 ZINC000629738898 1128932077 /nfs/dbraw/zinc/93/20/77/1128932077.db2.gz SONRHNYRKKCJDF-UHFFFAOYSA-N 0 1 259.324 3.568 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)CCC3CCCC3)n2)cc1 ZINC000028854977 1120670762 /nfs/dbraw/zinc/67/07/62/1120670762.db2.gz ZLZAGVDOOBHSGS-UHFFFAOYSA-N 0 1 298.390 3.689 20 0 CHADMN Cc1ccc2sc(C[N@H+]3CC[C@H]4CCC[C@H]43)nc2c1 ZINC000625344165 1120670918 /nfs/dbraw/zinc/67/09/18/1120670918.db2.gz SFFKUSJHGGVHGH-TZMCWYRMSA-N 0 1 272.417 3.979 20 0 CHADMN CCCC(C)(C)C(=O)Nc1cccc(Cl)c1O ZINC000651588642 1120671341 /nfs/dbraw/zinc/67/13/41/1120671341.db2.gz YGSZIYYNURRIDA-UHFFFAOYSA-N 0 1 255.745 3.810 20 0 CHADMN CCCN(C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660710391 1120680281 /nfs/dbraw/zinc/68/02/81/1120680281.db2.gz RWRSUVBKBSNKPM-VIFPVBQESA-N 0 1 251.761 3.619 20 0 CHADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]CCC2CCCCCC2)n1 ZINC000660750231 1120683968 /nfs/dbraw/zinc/68/39/68/1120683968.db2.gz ZLSHIZAILNQUJB-UHFFFAOYSA-N 0 1 291.439 3.676 20 0 CHADMN Clc1ccc(-c2ccc([C@@H]3COCCN3)cc2)s1 ZINC000629752425 1128933270 /nfs/dbraw/zinc/93/32/70/1128933270.db2.gz DFGHCINCLLTUDN-LBPRGKRZSA-N 0 1 279.792 3.729 20 0 CHADMN Cc1nc(CN(C)[C@@H]2CCC[C@H]2c2ccccc2)co1 ZINC000660775312 1120686850 /nfs/dbraw/zinc/68/68/50/1120686850.db2.gz ICQZAJWOJVFBSZ-DLBZAZTESA-N 0 1 270.376 3.751 20 0 CHADMN Oc1ccc(Cl)c(CN2CCC23CCCC3)c1 ZINC000625510643 1120696849 /nfs/dbraw/zinc/69/68/49/1120696849.db2.gz RBKOFIXWAZSHEZ-UHFFFAOYSA-N 0 1 251.757 3.564 20 0 CHADMN CCN(Cc1nc2cc(C)ccc2s1)[C@H]1CCCOC1 ZINC000625511593 1120696934 /nfs/dbraw/zinc/69/69/34/1120696934.db2.gz CPDGMGLGYFXPSY-ZDUSSCGKSA-N 0 1 290.432 3.606 20 0 CHADMN Cc1ccc(C2(NCc3cc(C)nc(C)n3)CCC2)cc1 ZINC000660906059 1120699164 /nfs/dbraw/zinc/69/91/64/1120699164.db2.gz CLISZZKJVRTTLC-UHFFFAOYSA-N 0 1 281.403 3.571 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccc(F)cc2F)ccc1F ZINC001117744234 1120700594 /nfs/dbraw/zinc/70/05/94/1120700594.db2.gz AUJPGJRAZGMZIM-JTQLQIEISA-N 0 1 295.304 3.963 20 0 CHADMN CCc1nocc1CNC1(c2ccc(C)cc2)CCC1 ZINC000660907145 1120701037 /nfs/dbraw/zinc/70/10/37/1120701037.db2.gz NOARDLHOALBRBJ-UHFFFAOYSA-N 0 1 270.376 3.714 20 0 CHADMN CCC[C@H](C[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1ccccc1 ZINC000629770615 1128934445 /nfs/dbraw/zinc/93/44/45/1128934445.db2.gz AATYHHIJMCJQBQ-UAGQMJEPSA-N 0 1 289.419 3.613 20 0 CHADMN C[C@H](c1nc(-c2ccccc2)no1)N1C[C@@H]2CCCC[C@@H]21 ZINC000660927848 1120703665 /nfs/dbraw/zinc/70/36/65/1120703665.db2.gz GQKTZJVIYYVZMS-SNPRPXQTSA-N 0 1 283.375 3.672 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)N1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931459470 1120707231 /nfs/dbraw/zinc/70/72/31/1120707231.db2.gz POWHDNXYDZMYAL-NHYWBVRUSA-N 0 1 273.355 3.619 20 0 CHADMN C[C@H](N[C@H]1CCCc2n[nH]cc21)c1ccc(F)cc1Cl ZINC000334520575 1120708992 /nfs/dbraw/zinc/70/89/92/1120708992.db2.gz LMFUAONADUPEEF-XPTSAGLGSA-N 0 1 293.773 3.930 20 0 CHADMN CCc1noc([C@@H](C)N[C@@H]2CCCC23CCCCC3)n1 ZINC000661126890 1120721850 /nfs/dbraw/zinc/72/18/50/1120721850.db2.gz ALAKXHBSQVZVNM-CHWSQXEVSA-N 0 1 277.412 3.786 20 0 CHADMN FC(F)c1noc(CN[C@@H]2CCCC23CCCCC3)n1 ZINC000661127473 1120722028 /nfs/dbraw/zinc/72/20/28/1120722028.db2.gz LEAIFFCPIWKKAM-SNVBAGLBSA-N 0 1 285.338 3.600 20 0 CHADMN C(N[C@@H]1CCCC12CCCCC2)c1nc(C2CC2)no1 ZINC000661128169 1120726000 /nfs/dbraw/zinc/72/60/00/1120726000.db2.gz IKCZKFXACKKNIB-CYBMUJFWSA-N 0 1 275.396 3.540 20 0 CHADMN CC(C)n1ccnc1C[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC000661212285 1120739292 /nfs/dbraw/zinc/73/92/92/1120739292.db2.gz YQIPGCLKJFTKGO-UHFFFAOYSA-N 0 1 297.446 3.800 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc2cnccc2o1 ZINC000651766852 1120739788 /nfs/dbraw/zinc/73/97/88/1120739788.db2.gz WYANXHWIBGHCSF-GXFFZTMASA-N 0 1 298.308 3.991 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1cc2cnccc2o1 ZINC000651766852 1120739794 /nfs/dbraw/zinc/73/97/94/1120739794.db2.gz WYANXHWIBGHCSF-GXFFZTMASA-N 0 1 298.308 3.991 20 0 CHADMN CC(C)c1nc(CN[C@@H]2CCCC2(F)F)c2ccccn21 ZINC000651812296 1120751890 /nfs/dbraw/zinc/75/18/90/1120751890.db2.gz TVLZRCPVNWIXOP-CQSZACIVSA-N 0 1 293.361 3.735 20 0 CHADMN CC(C)c1nc(CN2CCC[C@](C)(F)C2)c2ccccn21 ZINC000651818144 1120753326 /nfs/dbraw/zinc/75/33/26/1120753326.db2.gz LVNJAFAQIFOMIX-KRWDZBQOSA-N 0 1 289.398 3.782 20 0 CHADMN CCC1(CC)CCC(N[C@H](C)c2csnn2)CC1 ZINC000651831995 1120756985 /nfs/dbraw/zinc/75/69/85/1120756985.db2.gz SEIFCQOUHFZUFF-LLVKDONJSA-N 0 1 267.442 3.938 20 0 CHADMN Cc1cncc(CC[N@@H+]2CCc3ccc(C(C)C)cc3C2)n1 ZINC000661374943 1120757276 /nfs/dbraw/zinc/75/72/76/1120757276.db2.gz GTRMCWUEHXFWBW-UHFFFAOYSA-N 0 1 295.430 3.509 20 0 CHADMN Clc1cnc(CN[C@H]2CCC23CCCC3)s1 ZINC000335620946 1120760269 /nfs/dbraw/zinc/76/02/69/1120760269.db2.gz PTCDVHKVACDYJM-VIFPVBQESA-N 0 1 256.802 3.609 20 0 CHADMN C[C@@H](NCCCOc1ccc(Cl)cc1)c1cscn1 ZINC000661419941 1120764253 /nfs/dbraw/zinc/76/42/53/1120764253.db2.gz GQUVIWFHPAQHGR-LLVKDONJSA-N 0 1 296.823 3.916 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)c1C ZINC000408175453 1120764794 /nfs/dbraw/zinc/76/47/94/1120764794.db2.gz ZODRDNXXCGFLSB-HNNXBMFYSA-N 0 1 297.402 3.569 20 0 CHADMN c1coc([C@H]2N(C[C@@H]3CCCCO3)CC23CCCC3)c1 ZINC000661446800 1120767496 /nfs/dbraw/zinc/76/74/96/1120767496.db2.gz RCTQESCQCCEHPO-GOEBONIOSA-N 0 1 275.392 3.766 20 0 CHADMN CCc1ccccc1NC(=O)C[N@@H+](CCC(C)C)C1CC1 ZINC000045751731 1120767858 /nfs/dbraw/zinc/76/78/58/1120767858.db2.gz YTRHYXGYNWQFDO-UHFFFAOYSA-N 0 1 288.435 3.698 20 0 CHADMN CCc1ccccc1NC(=O)CN(CCC(C)C)C1CC1 ZINC000045751731 1120767859 /nfs/dbraw/zinc/76/78/59/1120767859.db2.gz YTRHYXGYNWQFDO-UHFFFAOYSA-N 0 1 288.435 3.698 20 0 CHADMN Fc1cccc(-c2nc(CN3CCCCCC3)co2)c1 ZINC000045734807 1120769298 /nfs/dbraw/zinc/76/92/98/1120769298.db2.gz HPAOBBFAYABPAV-UHFFFAOYSA-N 0 1 274.339 3.857 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000651875818 1120769516 /nfs/dbraw/zinc/76/95/16/1120769516.db2.gz HMMFHYDRUOVMQY-ZIAGYGMSSA-N 0 1 283.375 3.636 20 0 CHADMN CCc1cccc(CN[C@H](c2ccccc2F)[C@H](C)O)c1 ZINC000651891691 1120772145 /nfs/dbraw/zinc/77/21/45/1120772145.db2.gz ILIZLISGTZVZSR-UGSOOPFHSA-N 0 1 287.378 3.600 20 0 CHADMN C[C@@H](O)C[C@H](C)NCc1c(Cl)ccc(Cl)c1Cl ZINC000228086648 1120775101 /nfs/dbraw/zinc/77/51/01/1120775101.db2.gz OTFRLZFTSHQKIY-JGVFFNPUSA-N 0 1 296.625 3.896 20 0 CHADMN Cc1nnc(CN(C)C2CC(C)(C)CC(C)(C)C2)s1 ZINC000661535515 1120776056 /nfs/dbraw/zinc/77/60/56/1120776056.db2.gz PZBXKARHHJMTFY-UHFFFAOYSA-N 0 1 281.469 3.883 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2cccc(O)c2)c(C)o1 ZINC000093315904 1120778584 /nfs/dbraw/zinc/77/85/84/1120778584.db2.gz LNQFLNPNTODIDY-GFCCVEGCSA-N 0 1 259.349 3.795 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)[C@H]2CCCC[C@@H]12 ZINC000473117314 1120780931 /nfs/dbraw/zinc/78/09/31/1120780931.db2.gz BLUBSHIZZQBMRU-VWYCJHECSA-N 0 1 270.829 3.807 20 0 CHADMN C[C@@H]1CN(Cc2ncc(Cl)s2)[C@H]2CCCC[C@@H]12 ZINC000473117314 1120780935 /nfs/dbraw/zinc/78/09/35/1120780935.db2.gz BLUBSHIZZQBMRU-VWYCJHECSA-N 0 1 270.829 3.807 20 0 CHADMN Fc1cncc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1 ZINC000661578361 1120781045 /nfs/dbraw/zinc/78/10/45/1120781045.db2.gz LHVNXYRJBYHFEL-OAHLLOKOSA-N 0 1 262.372 3.623 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CC[C@@H](C2CCCCC2)C1 ZINC000661582763 1120783486 /nfs/dbraw/zinc/78/34/86/1120783486.db2.gz DTZSLXUULYAVIY-SWLSCSKDSA-N 0 1 289.423 3.910 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@](O)(C2CC2)C1 ZINC000661632193 1120787401 /nfs/dbraw/zinc/78/74/01/1120787401.db2.gz KZPLYLWDYFUUHD-BDJLRTHQSA-N 0 1 297.801 3.777 20 0 CHADMN Cc1nnc(CN2CCC(C)(C)CC(C)(C)C2)n1C1CC1 ZINC000661626165 1120787427 /nfs/dbraw/zinc/78/74/27/1120787427.db2.gz ITJRSHMELFFJAY-UHFFFAOYSA-N 0 1 290.455 3.570 20 0 CHADMN CCCn1c(C)nnc1CN1CCC(C)(C)CC(C)(C)C1 ZINC000661628175 1120787782 /nfs/dbraw/zinc/78/77/82/1120787782.db2.gz SJOHJEXMZKQQRD-UHFFFAOYSA-N 0 1 292.471 3.645 20 0 CHADMN Cn1ccc(CN[C@H]2CC(C)(C)Oc3ccc(F)cc32)c1 ZINC000651949133 1120789505 /nfs/dbraw/zinc/78/95/05/1120789505.db2.gz DUFBOTWHZPDMFD-HNNXBMFYSA-N 0 1 288.366 3.556 20 0 CHADMN CC1(C)C[C@H](NCc2cc[nH]c2)c2cc(F)ccc2O1 ZINC000651949865 1120790354 /nfs/dbraw/zinc/79/03/54/1120790354.db2.gz WZRQBZXBGMBZDV-AWEZNQCLSA-N 0 1 274.339 3.546 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@@H]1C[C@@H]1C1CCCC1 ZINC000652163427 1120793920 /nfs/dbraw/zinc/79/39/20/1120793920.db2.gz NXQYJLDXDRYDLY-NXEZZACHSA-N 0 1 297.757 3.950 20 0 CHADMN FCC[C@H]1CCCN(Cc2ncccc2C(F)(F)F)C1 ZINC000661690043 1120795320 /nfs/dbraw/zinc/79/53/20/1120795320.db2.gz NMZNVHPUQSWDDC-LLVKDONJSA-N 0 1 290.304 3.672 20 0 CHADMN FCC[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000661694025 1120795449 /nfs/dbraw/zinc/79/54/49/1120795449.db2.gz VJTWQFPGCXMFGF-NSHDSACASA-N 0 1 257.299 3.536 20 0 CHADMN CCCCCN(CCCCC)Cc1nc(C)no1 ZINC000047984188 1120800232 /nfs/dbraw/zinc/80/02/32/1120800232.db2.gz SYXGNWLZSDWEGY-UHFFFAOYSA-N 0 1 253.390 3.560 20 0 CHADMN CC[C@@H](NCc1cccc2ccsc21)c1nccn1C ZINC000652219911 1120801600 /nfs/dbraw/zinc/80/16/00/1120801600.db2.gz OZBNPUIWAIODIV-CQSZACIVSA-N 0 1 285.416 3.876 20 0 CHADMN COc1cc(CN2C[C@@H]3[C@H](C2)C3(C)C)cc(C(F)(F)F)c1 ZINC001143517042 1120806629 /nfs/dbraw/zinc/80/66/29/1120806629.db2.gz AAJAFVLHWIPMFU-OKILXGFUSA-N 0 1 299.336 3.802 20 0 CHADMN FC(F)(F)c1nc(CNC[C@H]2CCCCS2)cs1 ZINC000893511212 1120814410 /nfs/dbraw/zinc/81/44/10/1120814410.db2.gz ASVVMYRCIHYHIO-SECBINFHSA-N 0 1 296.383 3.537 20 0 CHADMN CSCCCCCCNCc1nnc(C(C)C)s1 ZINC000893516924 1120816922 /nfs/dbraw/zinc/81/69/22/1120816922.db2.gz ZXVORBXKNIZLCL-UHFFFAOYSA-N 0 1 287.498 3.675 20 0 CHADMN Cc1nccc(CN[C@H](c2ccccc2)C(C)(C)C)n1 ZINC000054790375 1120817905 /nfs/dbraw/zinc/81/79/05/1120817905.db2.gz PWSOHJPKXMMFJR-MRXNPFEDSA-N 0 1 269.392 3.662 20 0 CHADMN Cc1ccc2[nH]c(C[N@H+]3CCC[C@@H]4COCC[C@H]43)cc2c1C ZINC000473149819 1120820237 /nfs/dbraw/zinc/82/02/37/1120820237.db2.gz LFLPLPPMVLCMCD-DNVCBOLYSA-N 0 1 298.430 3.786 20 0 CHADMN Cc1ccc2[nH]c(CN3CCC[C@@H]4COCC[C@H]43)cc2c1C ZINC000473149819 1120820240 /nfs/dbraw/zinc/82/02/40/1120820240.db2.gz LFLPLPPMVLCMCD-DNVCBOLYSA-N 0 1 298.430 3.786 20 0 CHADMN Cc1nc(CN[C@H]2C[C@H](OC(C)(C)C)C23CCC3)c(C)o1 ZINC000661842473 1120823685 /nfs/dbraw/zinc/82/36/85/1120823685.db2.gz CHYLTAFMBTXUET-GJZGRUSLSA-N 0 1 292.423 3.507 20 0 CHADMN COC1CC(NCc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000230689959 1120831070 /nfs/dbraw/zinc/83/10/70/1120831070.db2.gz VHFLRHPBMMGUSW-UHFFFAOYSA-N 0 1 294.609 3.914 20 0 CHADMN CCn1c(C)cc(C(=O)CN2CCC3(CCCC3)C2)c1C ZINC000313981292 1120833424 /nfs/dbraw/zinc/83/34/24/1120833424.db2.gz PSESGKALXIZCTM-UHFFFAOYSA-N 0 1 288.435 3.574 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1cc(O)cc(Cl)c1)c1nccs1 ZINC000893534737 1120837598 /nfs/dbraw/zinc/83/75/98/1120837598.db2.gz DYVGTDSYGSYOOW-SNVBAGLBSA-N 0 1 296.823 3.738 20 0 CHADMN CC[C@](C)(NC(=O)c1cccc(F)c1O)c1ccccc1 ZINC001126171142 1120839938 /nfs/dbraw/zinc/83/99/38/1120839938.db2.gz VPEYRDOSFKMIQR-KRWDZBQOSA-N 0 1 287.334 3.587 20 0 CHADMN CCOC[C@H](C)NCc1ccc(F)c(Cl)c1Cl ZINC000432244846 1120841771 /nfs/dbraw/zinc/84/17/71/1120841771.db2.gz FVOGHIKSRIFPBH-QMMMGPOBSA-N 0 1 280.170 3.647 20 0 CHADMN FC(F)(F)c1cccc(CN2CC[C@H]3C[C@H]3C2)c1 ZINC000661970612 1120849534 /nfs/dbraw/zinc/84/95/34/1120849534.db2.gz GAFWTTYCFBMDPM-RYUDHWBXSA-N 0 1 255.283 3.547 20 0 CHADMN C[C@H](c1ncc(-c2ccccc2)o1)N1CC[C@@H]2C[C@@H]2C1 ZINC000661972131 1120850233 /nfs/dbraw/zinc/85/02/33/1120850233.db2.gz IWQSEHDFCYUKMN-BPLDGKMQSA-N 0 1 268.360 3.744 20 0 CHADMN CC(C)c1noc([C@@H](C)N[C@@H](C)C2CCC(F)CC2)n1 ZINC000661998984 1120855862 /nfs/dbraw/zinc/85/58/62/1120855862.db2.gz AMWAPBJDRWSYSN-ZFDZMSFRSA-N 0 1 283.391 3.760 20 0 CHADMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1csc(C(=O)[O-])c1)C1CC1 ZINC000652410303 1120856910 /nfs/dbraw/zinc/85/69/10/1120856910.db2.gz XRVNBXGIXVDOLB-GHMZBOCLSA-N 0 1 281.421 3.845 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@H+]1CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000652425166 1120860365 /nfs/dbraw/zinc/86/03/65/1120860365.db2.gz DRMLXDSHAKPNJW-CVEARBPZSA-N 0 1 289.419 3.755 20 0 CHADMN CC[C@H]1Cc2ccccc2C[N@H+]1CCC(F)(F)F ZINC000466941201 1120861158 /nfs/dbraw/zinc/86/11/58/1120861158.db2.gz UPNJEKXSCHRWLC-ZDUSSCGKSA-N 0 1 257.299 3.776 20 0 CHADMN Cc1cccc([C@@H](C)N[C@H]2COc3ccc(F)cc32)c1 ZINC000467003575 1120862797 /nfs/dbraw/zinc/86/27/97/1120862797.db2.gz RONWJIQNZYRVLM-WBMJQRKESA-N 0 1 271.335 3.918 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CCC[C@@H](C3CCC3)C2)n1 ZINC000662041172 1120863189 /nfs/dbraw/zinc/86/31/89/1120863189.db2.gz YNUNSZQYEOXODS-TZMCWYRMSA-N 0 1 277.412 3.766 20 0 CHADMN Cc1ccc(C[N@@H+](CC(=O)[O-])C2CCCCC2)c(Cl)c1 ZINC000652481897 1120870428 /nfs/dbraw/zinc/87/04/28/1120870428.db2.gz DSRBSTRLRMZPHK-UHFFFAOYSA-N 0 1 295.810 3.868 20 0 CHADMN CCC(CC)[C@H](NCc1cnccn1)c1ccccc1 ZINC000054766270 1120870842 /nfs/dbraw/zinc/87/08/42/1120870842.db2.gz LIJYBFPSEHBXIF-KRWDZBQOSA-N 0 1 269.392 3.744 20 0 CHADMN Cc1ccc(-c2noc(CN[C@H](C)C(C)(C)C)n2)cc1 ZINC000114196439 1120872930 /nfs/dbraw/zinc/87/29/30/1120872930.db2.gz OBZCBZDNLBTHST-GFCCVEGCSA-N 0 1 273.380 3.569 20 0 CHADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(C2CCCC2)cc1 ZINC000652504170 1120873660 /nfs/dbraw/zinc/87/36/60/1120873660.db2.gz ZLQYBNCTFHLGLS-CXAGYDPISA-N 0 1 287.403 3.639 20 0 CHADMN Cc1ccc(-c2cccc([C@@H]3COCCN3)c2)c(F)c1F ZINC000630054350 1128946239 /nfs/dbraw/zinc/94/62/39/1128946239.db2.gz PDUINPBPJAPCPB-HNNXBMFYSA-N 0 1 289.325 3.601 20 0 CHADMN CSc1ccc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000050925213 1120881167 /nfs/dbraw/zinc/88/11/67/1120881167.db2.gz JBGCBGOFKFHCAQ-AWEZNQCLSA-N 0 1 293.432 3.628 20 0 CHADMN CC(C)(C)n1ncnc1CN1CCCC[C@@H]1CC1CCC1 ZINC000662154767 1120886047 /nfs/dbraw/zinc/88/60/47/1120886047.db2.gz CLBHKYLTFRLXKV-OAHLLOKOSA-N 0 1 290.455 3.578 20 0 CHADMN CC(C)(C)n1ncnc1CN1CCCC[C@H]1CC1CCC1 ZINC000662154764 1120886493 /nfs/dbraw/zinc/88/64/93/1120886493.db2.gz CLBHKYLTFRLXKV-HNNXBMFYSA-N 0 1 290.455 3.578 20 0 CHADMN CCCCC[C@@H]1CCCCN1Cc1nnc(C)n1C1CC1 ZINC000662153226 1120886813 /nfs/dbraw/zinc/88/68/13/1120886813.db2.gz BFOIRWCJEUGDEH-OAHLLOKOSA-N 0 1 290.455 3.856 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@@H](C3CCCCC3)C2)o1 ZINC000662200921 1120897976 /nfs/dbraw/zinc/89/79/76/1120897976.db2.gz IXYQANDRNODDNP-OAHLLOKOSA-N 0 1 291.439 3.985 20 0 CHADMN CC[N@@H+](Cc1ccc(-c2ccccc2)cc1)[C@H](C)C(=O)[O-] ZINC000662215020 1120903383 /nfs/dbraw/zinc/90/33/83/1120903383.db2.gz DPYXVYJBTXKEAP-CQSZACIVSA-N 0 1 283.371 3.649 20 0 CHADMN c1[nH]nc2cc(NCc3cccc4c3CCC4)ccc12 ZINC000630070356 1128948773 /nfs/dbraw/zinc/94/87/73/1128948773.db2.gz YNJYHXAYLKBENS-UHFFFAOYSA-N 0 1 263.344 3.664 20 0 CHADMN CC(C)c1cccc(C[N@H+]2CC[C@](C(=O)[O-])(C(C)C)C2)c1 ZINC000663317406 1120923314 /nfs/dbraw/zinc/92/33/14/1120923314.db2.gz NFSXCVYNFITLNA-GOSISDBHSA-N 0 1 289.419 3.743 20 0 CHADMN Cc1cc(-c2nnc(CN3[C@@H](C)CCC[C@@H]3C)o2)c(C)o1 ZINC000161639413 1120923436 /nfs/dbraw/zinc/92/34/36/1120923436.db2.gz ZPZJTJLTZRRWOY-QWRGUYRKSA-N 0 1 289.379 3.709 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN(CCOCC(F)F)C2CC2)o1 ZINC000188565887 1120923456 /nfs/dbraw/zinc/92/34/56/1120923456.db2.gz FJAVUEJQPNTVIC-SMDDNHRTSA-N 0 1 299.361 3.649 20 0 CHADMN CC(C)c1cccc(CNCc2c3c(nn2C)CCCC3)c1 ZINC000663324292 1120926478 /nfs/dbraw/zinc/92/64/78/1120926478.db2.gz BBGQCYJWDXXEAR-UHFFFAOYSA-N 0 1 297.446 3.712 20 0 CHADMN CCCc1nc(CNC2(COC)CCCCC2)cs1 ZINC000662336449 1120926734 /nfs/dbraw/zinc/92/67/34/1120926734.db2.gz DGHHUTFDRXDFBR-UHFFFAOYSA-N 0 1 282.453 3.535 20 0 CHADMN CCOc1cccc(CN2CC3CC2(c2ccccc2)C3)n1 ZINC000662330481 1120927679 /nfs/dbraw/zinc/92/76/79/1120927679.db2.gz DCKONPJLMSQMRQ-UHFFFAOYSA-N 0 1 294.398 3.601 20 0 CHADMN CC(C)n1nccc1CN[C@]1(c2ccccc2)CC1(C)C ZINC000662340405 1120928047 /nfs/dbraw/zinc/92/80/47/1120928047.db2.gz JJPFNQQLUDLKNS-SFHVURJKSA-N 0 1 283.419 3.879 20 0 CHADMN COc1cc(CN[C@]2(c3ccccc3)CC2(C)C)sn1 ZINC000662339659 1120928062 /nfs/dbraw/zinc/92/80/62/1120928062.db2.gz BLIRILDGSXGUDE-INIZCTEOSA-N 0 1 288.416 3.567 20 0 CHADMN Cc1ccc(-c2nnc(CN(C)C[C@H]3CC3(C)C)o2)cc1 ZINC000662346645 1120929297 /nfs/dbraw/zinc/92/92/97/1120929297.db2.gz CQTKYMYTMIPUTP-CQSZACIVSA-N 0 1 285.391 3.523 20 0 CHADMN CN(Cc1csc(-c2ccoc2)n1)C[C@H]1CC1(C)C ZINC000662347472 1120929323 /nfs/dbraw/zinc/92/93/23/1120929323.db2.gz KMTNJSFVGDRCGF-GFCCVEGCSA-N 0 1 276.405 3.881 20 0 CHADMN C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC2CC1(C)C2 ZINC000662380271 1120931764 /nfs/dbraw/zinc/93/17/64/1120931764.db2.gz GLACWNCVDQFBBK-CDJWAVJASA-N 0 1 294.398 3.651 20 0 CHADMN CCCn1nccc1CN[C@@]1(c2ccccc2)CC1(C)C ZINC000663341671 1120940272 /nfs/dbraw/zinc/94/02/72/1120940272.db2.gz QGGSKTGRJFWZIJ-GOSISDBHSA-N 0 1 283.419 3.708 20 0 CHADMN CCCC[C@H](COC)N[C@H](C)c1csc(CC)n1 ZINC000162368835 1120941001 /nfs/dbraw/zinc/94/10/01/1120941001.db2.gz TUQFZFGHPVHZLZ-VXGBXAGGSA-N 0 1 270.442 3.561 20 0 CHADMN CCc1oc2ccccc2c1CNCc1ccnn1CC ZINC000663348227 1120942296 /nfs/dbraw/zinc/94/22/96/1120942296.db2.gz NZPWUXIVRWORPL-UHFFFAOYSA-N 0 1 283.375 3.501 20 0 CHADMN CCc1cccc(CNCc2cnccc2C(F)(F)F)c1 ZINC000663354205 1120944487 /nfs/dbraw/zinc/94/44/87/1120944487.db2.gz LUZQWXIOOVEIQT-UHFFFAOYSA-N 0 1 294.320 3.953 20 0 CHADMN CC[C@H](C(=O)O[C@H](C)c1ccccc1F)N(CC)CC ZINC000779451907 1128951208 /nfs/dbraw/zinc/95/12/08/1128951208.db2.gz RPNZFDFLUPNVNB-IUODEOHRSA-N 0 1 281.371 3.550 20 0 CHADMN CC(C)n1ccc(CN[C@H]2CCCc3ccccc32)n1 ZINC000069988567 1120959334 /nfs/dbraw/zinc/95/93/34/1120959334.db2.gz LVLBNXMTYDEICI-KRWDZBQOSA-N 0 1 269.392 3.631 20 0 CHADMN Clc1oc2ccccc2c1CN1CC(C2CC2)C1 ZINC000643345817 1120969859 /nfs/dbraw/zinc/96/98/59/1120969859.db2.gz OJAFRPCVKQKVDE-UHFFFAOYSA-N 0 1 261.752 3.928 20 0 CHADMN Cc1ccc2nc(SCC(=O)c3ccc(O)cc3)[nH]c2c1 ZINC000007061320 1120970312 /nfs/dbraw/zinc/97/03/12/1120970312.db2.gz IVTUTAANOKPFKQ-UHFFFAOYSA-N 0 1 298.367 3.552 20 0 CHADMN CCCCO[C@H]1C[C@H](NCc2cc(C3CC3)no2)C1(C)C ZINC000660529361 1120979323 /nfs/dbraw/zinc/97/93/23/1120979323.db2.gz CDMARZPBNOHWSI-HOTGVXAUSA-N 0 1 292.423 3.625 20 0 CHADMN CCn1nccc1CN[C@H](CCC(C)C)c1ccoc1 ZINC000663470729 1120985759 /nfs/dbraw/zinc/98/57/59/1120985759.db2.gz QUSYKRBOCFLCFL-MRXNPFEDSA-N 0 1 275.396 3.763 20 0 CHADMN COc1ccnc([C@@H](C)NC2(c3ccccc3)CCC2)c1 ZINC000925779813 1120991983 /nfs/dbraw/zinc/99/19/83/1120991983.db2.gz PRAMCXQVLOLZQY-CQSZACIVSA-N 0 1 282.387 3.820 20 0 CHADMN COCC[C@@H](C)N(C)Cc1cccc(Cl)c1Cl ZINC000431165026 1120995427 /nfs/dbraw/zinc/99/54/27/1120995427.db2.gz BCDQVHRNAHONQE-SNVBAGLBSA-N 0 1 276.207 3.850 20 0 CHADMN C[C@@H](O)C1CCN([C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000304012596 1120999340 /nfs/dbraw/zinc/99/93/40/1120999340.db2.gz BUWPDQCYFPOLOL-WDEREUQCSA-N 0 1 285.790 3.633 20 0 CHADMN CCOc1ccc([C@H](C)NCc2ccc(CC)cn2)cc1 ZINC000663535426 1121006214 /nfs/dbraw/zinc/00/62/14/1121006214.db2.gz SCWBFYJNMGLVAC-AWEZNQCLSA-N 0 1 284.403 3.894 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)[C@H]2COc3ccccc32)cs1 ZINC000373140490 1121013008 /nfs/dbraw/zinc/01/30/08/1121013008.db2.gz RRXPTNYPIBWZMZ-COPLHBTASA-N 0 1 288.416 3.667 20 0 CHADMN C1=CCC(CN2CCCC[C@H]2c2nnc(C3CCC3)o2)C1 ZINC000660554008 1121013745 /nfs/dbraw/zinc/01/37/45/1121013745.db2.gz YCCDWQMYDPXGEB-HNNXBMFYSA-N 0 1 287.407 3.830 20 0 CHADMN CCCCC[C@H]1CCCCN1Cc1nn(CC)nc1C ZINC001174779963 1121028117 /nfs/dbraw/zinc/02/81/17/1121028117.db2.gz LIBBOFDSTWCZQL-HNNXBMFYSA-N 0 1 278.444 3.541 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cnc2ccc(C)cc2c1 ZINC000663597579 1121031652 /nfs/dbraw/zinc/03/16/52/1121031652.db2.gz CIRJUMYOGMLUEO-LBPRGKRZSA-N 0 1 295.386 3.999 20 0 CHADMN Cc1nc2c(n1C[C@@H](O)c1cc3ccccc3o1)CCCC2 ZINC000317687333 1121035042 /nfs/dbraw/zinc/03/50/42/1121035042.db2.gz ICUZNHIPGFPAAX-MRXNPFEDSA-N 0 1 296.370 3.550 20 0 CHADMN COc1ccc(CN(C)Cc2cc(C)ccc2C)c(OC)c1 ZINC000058888247 1121043419 /nfs/dbraw/zinc/04/34/19/1121043419.db2.gz CUMPSUIZKNKHHN-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN COc1ncc(CN[C@@H](C)c2ccsc2)cc1Cl ZINC000282505794 1121044931 /nfs/dbraw/zinc/04/49/31/1121044931.db2.gz NXWHRSWFLUMKMR-VIFPVBQESA-N 0 1 282.796 3.656 20 0 CHADMN COc1cncc(CN(C)[C@@H](C)c2cccc(Cl)c2)c1 ZINC000343993398 1121045297 /nfs/dbraw/zinc/04/52/97/1121045297.db2.gz VMWLNPPSSDBGHZ-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN CC(C)Oc1ccnc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000625654499 1121047874 /nfs/dbraw/zinc/04/78/74/1121047874.db2.gz UMZAENVGVHKPKW-BETUJISGSA-N 0 1 298.377 3.592 20 0 CHADMN CCCCO[C@@H]1C[C@@H](NCc2csc(C)n2)C1(C)C ZINC000344002692 1121050287 /nfs/dbraw/zinc/05/02/87/1121050287.db2.gz BEQBQCJIJBWUTA-ZIAGYGMSSA-N 0 1 282.453 3.525 20 0 CHADMN Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)ccc1F ZINC001174813848 1121057895 /nfs/dbraw/zinc/05/78/95/1121057895.db2.gz GTENHEHIJJCSKV-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN C[C@@H]1c2ccccc2CN1C[C@H]1CCC2(CCC2)CO1 ZINC001174852562 1121064613 /nfs/dbraw/zinc/06/46/13/1121064613.db2.gz DCRLXIPGRBAMSE-GDBMZVCRSA-N 0 1 271.404 3.913 20 0 CHADMN COCC[C@@H](N[C@H](C)c1cccc(O)c1)c1ccc(C)o1 ZINC000282518407 1121066027 /nfs/dbraw/zinc/06/60/27/1121066027.db2.gz ZKNKYEKZXSMXTB-CZUORRHYSA-N 0 1 289.375 3.722 20 0 CHADMN COc1ccc2c(c1)C[C@H](CN1Cc3ccccc3[C@H]1C)O2 ZINC001174854879 1121066246 /nfs/dbraw/zinc/06/62/46/1121066246.db2.gz VRZHTBGLNSAMOL-CXAGYDPISA-N 0 1 295.382 3.576 20 0 CHADMN CCc1nnc([C@H](C)N2CCC[C@H](C3CCCCC3)C2)[nH]1 ZINC001174863157 1121071898 /nfs/dbraw/zinc/07/18/98/1121071898.db2.gz HESXMJPKHMEBAI-ZFWWWQNUSA-N 0 1 290.455 3.720 20 0 CHADMN Cc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000050024157 1121078709 /nfs/dbraw/zinc/07/87/09/1121078709.db2.gz ZTXRMKNKRKWIAL-SFHVURJKSA-N 0 1 294.398 3.598 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@@H](C)c1cnccc1C)CCO2 ZINC000344094653 1121081441 /nfs/dbraw/zinc/08/14/41/1121081441.db2.gz FHDJSOQNFMINJA-SUMWQHHRSA-N 0 1 298.386 3.573 20 0 CHADMN c1coc(-c2cc(CN3CCC[C@@H](C4CC4)C3)no2)c1 ZINC000344093675 1121081662 /nfs/dbraw/zinc/08/16/62/1121081662.db2.gz KSWWMKJEOXJNIY-CYBMUJFWSA-N 0 1 272.348 3.557 20 0 CHADMN CCc1ccc(CCN2Cc3ccc(O)cc3C2)cc1 ZINC000625726121 1121084759 /nfs/dbraw/zinc/08/47/59/1121084759.db2.gz CVTNUMYDNDZIGS-UHFFFAOYSA-N 0 1 267.372 3.513 20 0 CHADMN C[C@@H](N[C@H]1CCCOC1)c1cc(Cl)sc1Cl ZINC000167411805 1121087594 /nfs/dbraw/zinc/08/75/94/1121087594.db2.gz ITCFDJNHGXDKCP-SFYZADRCSA-N 0 1 280.220 3.885 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(COC(C)(C)C)cc1 ZINC001174911829 1121090797 /nfs/dbraw/zinc/09/07/97/1121090797.db2.gz ZCYYVPXZZSZCDD-UHFFFAOYSA-N 0 1 273.380 3.787 20 0 CHADMN COCc1cccc(CN[C@@H](C)c2ccccc2OC)c1 ZINC000038010590 1121094930 /nfs/dbraw/zinc/09/49/30/1121094930.db2.gz VMFVLJRKYGMOCE-AWEZNQCLSA-N 0 1 285.387 3.692 20 0 CHADMN CCCCCC[C@H](C)C(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001127684942 1128962623 /nfs/dbraw/zinc/96/26/23/1128962623.db2.gz YTPHRWXNRBAWSK-HRCADAONSA-N 0 1 282.472 3.534 20 0 CHADMN CCCCCC[C@H](C)C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC001127684942 1128962624 /nfs/dbraw/zinc/96/26/24/1128962624.db2.gz YTPHRWXNRBAWSK-HRCADAONSA-N 0 1 282.472 3.534 20 0 CHADMN Clc1cnccc1CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661878420 1121105295 /nfs/dbraw/zinc/10/52/95/1121105295.db2.gz NTXCMGOZXJLFIY-HOCLYGCPSA-N 0 1 294.826 3.516 20 0 CHADMN Cc1cccc2ncc(Nc3cc(F)c(F)c(F)c3)n21 ZINC001174957977 1121110641 /nfs/dbraw/zinc/11/06/41/1121110641.db2.gz GYZYRRDYYKKHDR-UHFFFAOYSA-N 0 1 277.249 3.804 20 0 CHADMN Cc1cc(Nc2cccc(N(C)C)c2)c2ccccc2n1 ZINC001174960536 1121112915 /nfs/dbraw/zinc/11/29/15/1121112915.db2.gz DRUJYQGHWWYEFK-UHFFFAOYSA-N 0 1 277.371 3.775 20 0 CHADMN Cc1[nH]c(S[C@H]2CCCOC2)nc1Cc1ccccc1 ZINC000674304505 1121115420 /nfs/dbraw/zinc/11/54/20/1121115420.db2.gz RVZSEDABNCPSNR-AWEZNQCLSA-N 0 1 288.416 3.580 20 0 CHADMN Cc1nc2ccccc2nc1CNC(C)(C)c1ccccc1 ZINC000265123800 1121117832 /nfs/dbraw/zinc/11/78/32/1121117832.db2.gz KUJVCBWFBKHYPK-UHFFFAOYSA-N 0 1 291.398 3.963 20 0 CHADMN CN(Cc1sc2ccccc2c1Cl)C[C@H](O)C1CC1 ZINC000674314689 1121119129 /nfs/dbraw/zinc/11/91/29/1121119129.db2.gz NQRSZQLWISXIPW-LBPRGKRZSA-N 0 1 295.835 3.757 20 0 CHADMN CC1(C)CN(C(=O)c2cc(C3CC3)[nH]n2)[C@H]1c1ccccc1 ZINC000619056730 1128963958 /nfs/dbraw/zinc/96/39/58/1128963958.db2.gz RJRIGTIISIOQNA-INIZCTEOSA-N 0 1 295.386 3.510 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC2(CCC2)C1 ZINC000344222711 1121125125 /nfs/dbraw/zinc/12/51/25/1121125125.db2.gz UKLQNKRNHPXLEL-LLVKDONJSA-N 0 1 251.320 3.902 20 0 CHADMN CCCCN(Cc1cncn1C)[C@@H](C)c1ccc(C)o1 ZINC000674370007 1121125153 /nfs/dbraw/zinc/12/51/53/1121125153.db2.gz JFSOAGZAWDGWRT-AWEZNQCLSA-N 0 1 275.396 3.685 20 0 CHADMN CC1CCC(N(C)Cc2noc3c2CCCC3)CC1 ZINC000171730228 1121127311 /nfs/dbraw/zinc/12/73/11/1121127311.db2.gz FTYOQWYDNJKSEW-UHFFFAOYSA-N 0 1 262.397 3.564 20 0 CHADMN CC1(C)CCC(C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000314145519 1121127736 /nfs/dbraw/zinc/12/77/36/1121127736.db2.gz LXKHPVIYGKIAGE-UHFFFAOYSA-N 0 1 287.403 3.917 20 0 CHADMN OCC1(CNc2ccnc3cc(F)ccc32)CCCCC1 ZINC000674413588 1121129855 /nfs/dbraw/zinc/12/98/55/1121129855.db2.gz BQBNAUXGBQCZQH-UHFFFAOYSA-N 0 1 288.366 3.729 20 0 CHADMN CC[C@H](C)CN(C)Cc1ncc(-c2cccs2)o1 ZINC000171947586 1121135018 /nfs/dbraw/zinc/13/50/18/1121135018.db2.gz FENQJCCRQMJEMB-NSHDSACASA-N 0 1 264.394 3.881 20 0 CHADMN C[C@H]1CC[C@H]2C(=O)N(Cc3cccc(Cl)c3Cl)N=C21 ZINC000634623693 1128965246 /nfs/dbraw/zinc/96/52/46/1128965246.db2.gz MPHLBRKQRJQEJV-WCBMZHEXSA-N 0 1 297.185 3.738 20 0 CHADMN C[C@H]1CCc2c(=O)n(Cc3cccc(Cl)c3Cl)[nH]c21 ZINC000634623693 1128965250 /nfs/dbraw/zinc/96/52/50/1128965250.db2.gz MPHLBRKQRJQEJV-WCBMZHEXSA-N 0 1 297.185 3.738 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1cc2ccccc2[nH]1 ZINC000674505810 1121142478 /nfs/dbraw/zinc/14/24/78/1121142478.db2.gz UFVDVWMUVTWTIC-ZDUSSCGKSA-N 0 1 265.360 3.756 20 0 CHADMN Nc1nc2ccccc2n1-c1cc(F)cc(C(F)(F)F)c1 ZINC001175059986 1121144579 /nfs/dbraw/zinc/14/45/79/1121144579.db2.gz DSZITCFFOLGRSA-UHFFFAOYSA-N 0 1 295.239 3.766 20 0 CHADMN Cc1nc(C)c([C@H](C)NCc2cccc(F)c2F)s1 ZINC000040518647 1121145361 /nfs/dbraw/zinc/14/53/61/1121145361.db2.gz MHDNBJITHDVWRS-QMMMGPOBSA-N 0 1 282.359 3.889 20 0 CHADMN CSc1ccc(C(=O)Nc2cccc(Cl)c2O)o1 ZINC000172355312 1121147768 /nfs/dbraw/zinc/14/77/68/1121147768.db2.gz SPIIKXUDKKQTJE-UHFFFAOYSA-N 0 1 283.736 3.613 20 0 CHADMN COc1ccc(-c2cccc(CN3CC[C@H](F)C3)c2)cc1 ZINC001138613377 1128965816 /nfs/dbraw/zinc/96/58/16/1128965816.db2.gz HDVJPSRDISSMSR-KRWDZBQOSA-N 0 1 285.362 3.906 20 0 CHADMN C/C=C/C[C@H]1CCCN(Cc2ccsc2C(=O)OC)C1 ZINC001175045322 1121157087 /nfs/dbraw/zinc/15/70/87/1121157087.db2.gz PVZPNIIZXDKXQE-OOPCZODUSA-N 0 1 293.432 3.713 20 0 CHADMN Cc1ccc(CNCc2ccc(Br)cn2)s1 ZINC000069938770 1121161592 /nfs/dbraw/zinc/16/15/92/1121161592.db2.gz DDMBRBZRYZTIRK-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN CC[C@@H](OCCN(C)Cc1ccc(C)cn1)c1ccccc1 ZINC000649621250 1128966689 /nfs/dbraw/zinc/96/66/89/1128966689.db2.gz PPBSKXHIRSSCGY-LJQANCHMSA-N 0 1 298.430 3.990 20 0 CHADMN COc1cc(Nc2cc(C)nc3ccccc32)cc(OC)c1 ZINC001175102680 1121166081 /nfs/dbraw/zinc/16/60/81/1121166081.db2.gz FOUXGSBCIMVZAE-UHFFFAOYSA-N 0 1 294.354 3.726 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3ncc(-c4ccccc4F)o3)C[C@@H]21 ZINC000172949615 1121166093 /nfs/dbraw/zinc/16/60/93/1121166093.db2.gz BGTXEPMQWFJVJG-BETUJISGSA-N 0 1 286.350 3.569 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701829386 1121170411 /nfs/dbraw/zinc/17/04/11/1121170411.db2.gz OTXUGTYVXLRKLD-OAHLLOKOSA-N 0 1 275.392 3.848 20 0 CHADMN CCCN(CCC)Cc1nc(-c2ccc(C)cc2)no1 ZINC000674713680 1121172012 /nfs/dbraw/zinc/17/20/12/1121172012.db2.gz KOBVZEPKCZCEAL-UHFFFAOYSA-N 0 1 273.380 3.667 20 0 CHADMN Cc1csc([C@@H](C)N[C@@H](C)COc2ccc(C)cc2)n1 ZINC000701890044 1121172646 /nfs/dbraw/zinc/17/26/46/1121172646.db2.gz LNLNTJZKIBWFAX-GXTWGEPZSA-N 0 1 290.432 3.878 20 0 CHADMN CSc1ccc(CNCc2cccc3c2OCC3)cc1 ZINC000692917954 1121175415 /nfs/dbraw/zinc/17/54/15/1121175415.db2.gz YLYZNIYUPYOGEK-UHFFFAOYSA-N 0 1 285.412 3.633 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1ccc(OC)nc1 ZINC000674758462 1121177178 /nfs/dbraw/zinc/17/71/78/1121177178.db2.gz MUNMPYFAWZSJJJ-QGZVFWFLSA-N 0 1 282.387 3.600 20 0 CHADMN Clc1ncccc1CN1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931923539 1121179369 /nfs/dbraw/zinc/17/93/69/1121179369.db2.gz UIXWVFYKXOUMBJ-WBVHZDCISA-N 0 1 284.790 3.509 20 0 CHADMN CCn1ccnc1NCc1ccc(C(F)(F)F)cc1 ZINC000061627161 1121180329 /nfs/dbraw/zinc/18/03/29/1121180329.db2.gz XCKAZDFNPGPYGI-UHFFFAOYSA-N 0 1 269.270 3.534 20 0 CHADMN CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000312265219 1121191251 /nfs/dbraw/zinc/19/12/51/1121191251.db2.gz PGQYIUCALFLJLH-VXGBXAGGSA-N 0 1 279.355 3.534 20 0 CHADMN CCCOCCNc1ccnc(C2(C(F)(F)F)CC2)c1 ZINC001167874405 1121194820 /nfs/dbraw/zinc/19/48/20/1121194820.db2.gz BCWYUNOMSIQQBD-UHFFFAOYSA-N 0 1 288.313 3.514 20 0 CHADMN O=C(Cc1ccc(Cl)c(Cl)c1)NOc1ccccc1 ZINC000773464292 1121196968 /nfs/dbraw/zinc/19/69/68/1121196968.db2.gz BWXCBOAVPNZSTG-UHFFFAOYSA-N 0 1 296.153 3.646 20 0 CHADMN CCOc1cc(Nc2cncn2C)cc(C(F)(F)F)c1 ZINC001175138589 1121197701 /nfs/dbraw/zinc/19/77/01/1121197701.db2.gz FPGQHGCDNVTHPZ-UHFFFAOYSA-N 0 1 285.269 3.581 20 0 CHADMN FCCNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000435590797 1121197886 /nfs/dbraw/zinc/19/78/86/1121197886.db2.gz ZFVKVIVXOBDWOR-UHFFFAOYSA-N 0 1 258.218 3.635 20 0 CHADMN Cc1cnc(CNC2CCC(c3ccccc3)CC2)o1 ZINC000236000010 1121197941 /nfs/dbraw/zinc/19/79/41/1121197941.db2.gz RWOBIOAMIVVKQJ-UHFFFAOYSA-N 0 1 270.376 3.799 20 0 CHADMN COc1cc(Nc2ccc(Cl)c(F)c2)ncc1C ZINC001175205531 1121207479 /nfs/dbraw/zinc/20/74/79/1121207479.db2.gz OIQWTHYPSFQANP-UHFFFAOYSA-N 0 1 266.703 3.935 20 0 CHADMN Cc1nc([C@@H](C)N[C@H]2C[C@H](Oc3ccccc3)C2)cs1 ZINC000658191953 1121213217 /nfs/dbraw/zinc/21/32/17/1121213217.db2.gz LEUISVADNWPHMH-UXIGCNINSA-N 0 1 288.416 3.712 20 0 CHADMN CCOc1cc(Nc2ccc3nccn3c2)c(F)cc1F ZINC001212528868 1121213888 /nfs/dbraw/zinc/21/38/88/1121213888.db2.gz SEOFQOJLPUDHKR-UHFFFAOYSA-N 0 1 289.285 3.755 20 0 CHADMN Cc1ccc(C)c(CN2CCO[C@@H](c3cccs3)C2)c1 ZINC000512231515 1121214709 /nfs/dbraw/zinc/21/47/09/1121214709.db2.gz XWHOZAIUOQNOPK-MRXNPFEDSA-N 0 1 287.428 3.938 20 0 CHADMN CCOCc1ccccc1CN[C@@H](C)c1cncc(F)c1 ZINC000122663045 1121217563 /nfs/dbraw/zinc/21/75/63/1121217563.db2.gz RRCCKHMBRBHCIV-ZDUSSCGKSA-N 0 1 288.366 3.608 20 0 CHADMN c1ccc(C[C@@H]2CC[N@H+]2Cc2cccc3nsnc32)cc1 ZINC000766090983 1121220717 /nfs/dbraw/zinc/22/07/17/1121220717.db2.gz LBDNVZABGQBMHN-HNNXBMFYSA-N 0 1 295.411 3.508 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1cncc(Cl)c1 ZINC000703023673 1121225386 /nfs/dbraw/zinc/22/53/86/1121225386.db2.gz VNKZBZZSAADFDH-OAHLLOKOSA-N 0 1 276.742 3.651 20 0 CHADMN Cc1conc1CN1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC001175219877 1121228610 /nfs/dbraw/zinc/22/86/10/1121228610.db2.gz NSTQHPSPIXFKQM-HNNXBMFYSA-N 0 1 288.366 3.890 20 0 CHADMN CC[C@@]1(C)CCN(Cc2nc(-c3ccccc3C)no2)C1 ZINC000675185319 1121229126 /nfs/dbraw/zinc/22/91/26/1121229126.db2.gz CBVSSGMQBMBTRP-KRWDZBQOSA-N 0 1 285.391 3.667 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCCC[C@H]1c1ccccc1 ZINC000436785246 1121244958 /nfs/dbraw/zinc/24/49/58/1121244958.db2.gz TUCUGKYZCQEENL-HNNXBMFYSA-N 0 1 299.345 3.899 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@H]2CCc3ccc(O)cc32)s1 ZINC000658239614 1121245160 /nfs/dbraw/zinc/24/51/60/1121245160.db2.gz NNELNMRVKRXTMJ-BMIGLBTASA-N 0 1 288.416 3.804 20 0 CHADMN Cc1cc(Nc2ccccc2N2CCN(C)CC2)ccc1F ZINC001175250862 1121246687 /nfs/dbraw/zinc/24/66/87/1121246687.db2.gz JJKLHPDGLFFDAD-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000094952842 1121247321 /nfs/dbraw/zinc/24/73/21/1121247321.db2.gz VFJLMVVLFWEQAY-NWDGAFQWSA-N 0 1 275.371 3.588 20 0 CHADMN CC(=O)c1ccc(F)c(Nc2ccc3c(c2)CN(C)CC3)c1 ZINC001175279006 1121250495 /nfs/dbraw/zinc/25/04/95/1121250495.db2.gz LMMUPODANSYTKV-UHFFFAOYSA-N 0 1 298.361 3.760 20 0 CHADMN CCc1cnc(CN(C)CCCc2cccc(F)c2)s1 ZINC000182822385 1121251863 /nfs/dbraw/zinc/25/18/63/1121251863.db2.gz RWUMYRFPOMWDOX-UHFFFAOYSA-N 0 1 292.423 3.909 20 0 CHADMN Cc1ncccc1CNC1(c2ccc(Cl)cc2)CC1 ZINC000112204045 1121252344 /nfs/dbraw/zinc/25/23/44/1121252344.db2.gz IXCHLRQUJZVUAX-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN Cn1ccc(CN[C@H](c2cccs2)C2CCCC2)n1 ZINC000112341877 1121254288 /nfs/dbraw/zinc/25/42/88/1121254288.db2.gz SZMQYIXYJRBBML-HNNXBMFYSA-N 0 1 275.421 3.503 20 0 CHADMN Cc1ccc(-c2nnc(CN3CCCC(C)(C)C3)o2)cc1 ZINC000112703029 1121261678 /nfs/dbraw/zinc/26/16/78/1121261678.db2.gz ZZKWXEUYPPISJG-UHFFFAOYSA-N 0 1 285.391 3.667 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cnccc1C ZINC000123224191 1121263360 /nfs/dbraw/zinc/26/33/60/1121263360.db2.gz ZYJANOHVOURKML-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CC[C@]1(C)CCCN(Cc2noc3c2CCCC3)C1 ZINC000174200570 1121274365 /nfs/dbraw/zinc/27/43/65/1121274365.db2.gz RZWFVOUVTVHIFK-MRXNPFEDSA-N 0 1 262.397 3.566 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1cc(F)c(Cl)cc1F ZINC001213935133 1121279023 /nfs/dbraw/zinc/27/90/23/1121279023.db2.gz PQKUKMNVWPNDCH-UHFFFAOYSA-N 0 1 293.704 3.848 20 0 CHADMN CC[C@H]1C[C@]1(NCc1cncs1)c1cccc(C)c1 ZINC000500479962 1121284123 /nfs/dbraw/zinc/28/41/23/1121284123.db2.gz CZOFFAZBEJTYCW-XJKSGUPXSA-N 0 1 272.417 3.867 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCOC[C@H](C2CCC2)C1 ZINC000429250333 1121286247 /nfs/dbraw/zinc/28/62/47/1121286247.db2.gz AKWWPJFJAQTFLQ-GXTWGEPZSA-N 0 1 295.373 3.774 20 0 CHADMN CCCc1nc(CN2CCCCC[C@H]2C[C@@H](C)O)cs1 ZINC000124255802 1121288095 /nfs/dbraw/zinc/28/80/95/1121288095.db2.gz RTWJULVRNREAJW-HIFRSBDPSA-N 0 1 296.480 3.611 20 0 CHADMN C[N@@H+](Cc1ccc(C(F)(F)F)s1)[C@H](CO)C(C)(C)C ZINC000432717347 1121296078 /nfs/dbraw/zinc/29/60/78/1121296078.db2.gz CYMXYIRINMTEQL-SNVBAGLBSA-N 0 1 295.370 3.606 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2nc3ccc(F)cc3s2)C1 ZINC000432738838 1121303893 /nfs/dbraw/zinc/30/38/93/1121303893.db2.gz NERIHNZTZWHZJE-QWRGUYRKSA-N 0 1 278.396 3.913 20 0 CHADMN c1cc(Nc2ccc3ncccc3c2)n(-c2ccncc2)n1 ZINC001175376575 1121305327 /nfs/dbraw/zinc/30/53/27/1121305327.db2.gz SUPSDZNQNKVOAV-UHFFFAOYSA-N 0 1 287.326 3.559 20 0 CHADMN CCN(Cc1ccc(C(F)(F)F)s1)C[C@H]1CCCO1 ZINC000432739366 1121307044 /nfs/dbraw/zinc/30/70/44/1121307044.db2.gz XUGRRZFZWRYVJK-SNVBAGLBSA-N 0 1 293.354 3.768 20 0 CHADMN Cc1cccc([C@@H]2CCCN2C[C@H]2CC2(Cl)Cl)n1 ZINC000766137328 1121307393 /nfs/dbraw/zinc/30/73/93/1121307393.db2.gz SFKHRJPJFSSTBP-YPMHNXCESA-N 0 1 285.218 3.721 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)n1 ZINC000246617781 1121313816 /nfs/dbraw/zinc/31/38/16/1121313816.db2.gz HAUJKZURWIHXRA-OFQRWUPVSA-N 0 1 299.418 3.819 20 0 CHADMN COc1ccccc1[C@@H]1CN([C@H](C)CC(C)C)CCO1 ZINC001175426198 1121321311 /nfs/dbraw/zinc/32/13/11/1121321311.db2.gz GUANQYGHCSDSMR-PBHICJAKSA-N 0 1 277.408 3.503 20 0 CHADMN Clc1ccnc(CN2C[C@@H]3CC=CC[C@@H]3C2)c1Cl ZINC001175436146 1121325042 /nfs/dbraw/zinc/32/50/42/1121325042.db2.gz HKHDVCBFUYUZOM-PHIMTYICSA-N 0 1 283.202 3.786 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2NCCC2CC2)C[C@H](C)O1 ZINC000438292376 1121329734 /nfs/dbraw/zinc/32/97/34/1121329734.db2.gz ICPOGQGODFNESY-GASCZTMLSA-N 0 1 288.435 3.508 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(F)cn2)cc1Cl ZINC000675627914 1121330203 /nfs/dbraw/zinc/33/02/03/1121330203.db2.gz SVYZWOBNLODVJE-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN C(c1nnc(C2CC2)s1)N1CCCC[C@@H]1CC1CCC1 ZINC000662158000 1121332741 /nfs/dbraw/zinc/33/27/41/1121332741.db2.gz RRCBUTHEZYGRRJ-CQSZACIVSA-N 0 1 291.464 3.960 20 0 CHADMN C[C@@H]1CC[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2F)C1 ZINC000429581788 1121340686 /nfs/dbraw/zinc/34/06/86/1121340686.db2.gz WPMZALJPJNNSIU-ZYHUDNBSSA-N 0 1 298.789 3.538 20 0 CHADMN COc1ncc(CN(Cc2ccccc2)CC(C)C)s1 ZINC001139814396 1121342172 /nfs/dbraw/zinc/34/21/72/1121342172.db2.gz CMHCFEAKGDOQKW-UHFFFAOYSA-N 0 1 290.432 3.810 20 0 CHADMN COc1cccc(CN2CCC[C@H](C)C2)c1OC(F)F ZINC000157694809 1121344140 /nfs/dbraw/zinc/34/41/40/1121344140.db2.gz RLXINXSINQVTHL-NSHDSACASA-N 0 1 285.334 3.529 20 0 CHADMN CCn1nccc1CN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000125155926 1121344853 /nfs/dbraw/zinc/34/48/53/1121344853.db2.gz IODPUZKXODEQSD-NSHDSACASA-N 0 1 297.324 3.773 20 0 CHADMN Cn1ccc([C@H]2CCCN(Cc3sccc3Cl)C2)n1 ZINC000932137536 1121345382 /nfs/dbraw/zinc/34/53/82/1121345382.db2.gz XHAPNJCICXOLJI-NSHDSACASA-N 0 1 295.839 3.515 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)o1 ZINC000675730717 1121350347 /nfs/dbraw/zinc/35/03/47/1121350347.db2.gz ZCBHVJRSAZHLGN-OLZOCXBDSA-N 0 1 298.386 3.885 20 0 CHADMN COCc1ccc(CN[C@H]2CCc3ccc(C)cc32)o1 ZINC000675761514 1121350753 /nfs/dbraw/zinc/35/07/53/1121350753.db2.gz GKIDVTAWWWOWRL-KRWDZBQOSA-N 0 1 271.360 3.512 20 0 CHADMN c1csc(NC2=CCN(Cc3ccccc3)CC2)c1 ZINC001175504723 1121352063 /nfs/dbraw/zinc/35/20/63/1121352063.db2.gz CJLZDIKQQVKUAW-UHFFFAOYSA-N 0 1 270.401 3.950 20 0 CHADMN C[C@H]1CC2(CCC2)CN1Cc1nccn1-c1ccccc1 ZINC000432790229 1121352783 /nfs/dbraw/zinc/35/27/83/1121352783.db2.gz VZKSADUIVUFTEH-HNNXBMFYSA-N 0 1 281.403 3.637 20 0 CHADMN CCCc1csc(C[N@H+]2CC3(CCC3)C[C@@H]2C)n1 ZINC000432789272 1121353256 /nfs/dbraw/zinc/35/32/56/1121353256.db2.gz QTPZPAFQRCQFOU-LBPRGKRZSA-N 0 1 264.438 3.860 20 0 CHADMN CCCc1csc(CN2CC3(CCC3)C[C@@H]2C)n1 ZINC000432789272 1121353266 /nfs/dbraw/zinc/35/32/66/1121353266.db2.gz QTPZPAFQRCQFOU-LBPRGKRZSA-N 0 1 264.438 3.860 20 0 CHADMN OCc1cccc(Nc2ccncc2Oc2ccccc2)c1 ZINC001175507791 1121354108 /nfs/dbraw/zinc/35/41/08/1121354108.db2.gz WPVJNVKMJAOCMG-UHFFFAOYSA-N 0 1 292.338 3.532 20 0 CHADMN CC(C)CN1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339167136 1121357086 /nfs/dbraw/zinc/35/70/86/1121357086.db2.gz BWTTWPWEWGMICU-CYBMUJFWSA-N 0 1 283.213 3.637 20 0 CHADMN Cc1occc1CN[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000675779867 1121357180 /nfs/dbraw/zinc/35/71/80/1121357180.db2.gz QQONXRILBQAHEL-GFCCVEGCSA-N 0 1 287.359 3.600 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1n[nH]c(C(C)(C)C)n1 ZINC000432800168 1121361772 /nfs/dbraw/zinc/36/17/72/1121361772.db2.gz LAFNAHSEDMRZQS-SDNWHVSQSA-N 0 1 298.434 3.638 20 0 CHADMN Cc1cnc(Nc2c3cn[nH]c3ccc2C)c(C)c1 ZINC001175523295 1121363571 /nfs/dbraw/zinc/36/35/71/1121363571.db2.gz FJCFGSDVESXVTM-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN CCC[C@@H](N[C@H](C)c1cncs1)c1ccccn1 ZINC000675815934 1121365955 /nfs/dbraw/zinc/36/59/55/1121365955.db2.gz HJZVRBJLVGTUGA-DGCLKSJQSA-N 0 1 261.394 3.730 20 0 CHADMN Cc1nc2c(Nc3c4cn[nH]c4ccc3C)cccn2c1C ZINC001175525322 1121366147 /nfs/dbraw/zinc/36/61/47/1121366147.db2.gz BDQBHIQUYUVGQN-UHFFFAOYSA-N 0 1 291.358 3.879 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccccn1 ZINC000675815921 1121366198 /nfs/dbraw/zinc/36/61/98/1121366198.db2.gz HHPLOFLDWJWBDP-BLLLJJGKSA-N 0 1 273.355 3.808 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(Cl)nc1 ZINC001175525014 1121366226 /nfs/dbraw/zinc/36/62/26/1121366226.db2.gz GJLZPOJGHNURFU-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN COC(=O)c1cc([C@H](C)[N@H+]2CCCC(C)(C)C2)oc1C ZINC000432800316 1121366699 /nfs/dbraw/zinc/36/66/99/1121366699.db2.gz MFVVEOWMPZIYMM-NSHDSACASA-N 0 1 279.380 3.558 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccnc1C1CC1 ZINC001175524978 1121366693 /nfs/dbraw/zinc/36/66/93/1121366693.db2.gz ZRPVKNGPPKTUFH-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN CCc1ccc(O)c(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175525437 1121366782 /nfs/dbraw/zinc/36/67/82/1121366782.db2.gz BZIHGCSGNILTLW-UHFFFAOYSA-N 0 1 267.332 3.883 20 0 CHADMN CC(=O)Nc1ccc(Nc2c3cn[nH]c3ccc2C)cc1 ZINC001175526053 1121367241 /nfs/dbraw/zinc/36/72/41/1121367241.db2.gz NKUAFSAFJBCNHV-UHFFFAOYSA-N 0 1 280.331 3.573 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(F)c(N)cc1C ZINC001175526902 1121368549 /nfs/dbraw/zinc/36/85/49/1121368549.db2.gz ACKCHJVYOZXZJQ-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2ncn(C)c2c1 ZINC001175526887 1121368565 /nfs/dbraw/zinc/36/85/65/1121368565.db2.gz ZLYLNRDNTNYOAV-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN COc1cccc(OC)c1Nc1c2cn[nH]c2ccc1C ZINC001175526269 1121369255 /nfs/dbraw/zinc/36/92/55/1121369255.db2.gz QUICNGZLRPFRHA-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN CC(=O)c1c(F)cccc1Nc1c2cn[nH]c2ccc1C ZINC001175527369 1121370611 /nfs/dbraw/zinc/37/06/11/1121370611.db2.gz JYPIKMDBKMQSLL-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2c(c1)OCC2 ZINC001175527259 1121370693 /nfs/dbraw/zinc/37/06/93/1121370693.db2.gz JSNXSWMNEKOISN-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN CC(C)(C)OC[C@H]1CCCN1Cc1ccncc1Cl ZINC000932162643 1121370585 /nfs/dbraw/zinc/37/05/85/1121370585.db2.gz FMVWYUHCYSJZEM-CYBMUJFWSA-N 0 1 282.815 3.515 20 0 CHADMN COc1ncc(CN[C@@H](C)c2ccc(Cl)cc2)s1 ZINC000311165895 1121370785 /nfs/dbraw/zinc/37/07/85/1121370785.db2.gz QSUTYLAWZFVPBG-VIFPVBQESA-N 0 1 282.796 3.656 20 0 CHADMN COc1ncc(CN[C@H](C)c2ccc(Cl)cc2)s1 ZINC000311165893 1121370942 /nfs/dbraw/zinc/37/09/42/1121370942.db2.gz QSUTYLAWZFVPBG-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccccc1C1OCCO1 ZINC001175527273 1121371118 /nfs/dbraw/zinc/37/11/18/1121371118.db2.gz FXFAKDXKRFWATA-UHFFFAOYSA-N 0 1 295.342 3.660 20 0 CHADMN CN1CCC=C(Nc2cccc(F)c2OC2CCCC2)C1 ZINC001175583021 1121373230 /nfs/dbraw/zinc/37/32/30/1121373230.db2.gz WICUZIQQYIBYQM-UHFFFAOYSA-N 0 1 290.382 3.778 20 0 CHADMN CCc1ccc(N[C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000675859142 1121373973 /nfs/dbraw/zinc/37/39/73/1121373973.db2.gz IWFZYQQJQLGZEE-MRXNPFEDSA-N 0 1 278.359 3.569 20 0 CHADMN CC(C)(C)c1nc(CN2CCCC3(CCCCC3)C2)n[nH]1 ZINC000432813733 1121378334 /nfs/dbraw/zinc/37/83/34/1121378334.db2.gz PAHBUBBYGMAKAD-UHFFFAOYSA-N 0 1 290.455 3.649 20 0 CHADMN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)CC1(C)CCC1 ZINC000432815911 1121383343 /nfs/dbraw/zinc/38/33/43/1121383343.db2.gz LHZLRUFPGZBFJE-UHFFFAOYSA-N 0 1 299.418 3.736 20 0 CHADMN Cc1cncc([C@@H]2CCCN2Cc2ccc(F)cc2)c1 ZINC001175552002 1121383555 /nfs/dbraw/zinc/38/35/55/1121383555.db2.gz PKFWLDXCEHWNMO-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CCCC[C@H](C)[C@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000675906006 1121386277 /nfs/dbraw/zinc/38/62/77/1121386277.db2.gz QIXYCQXCQJRKHV-KBPBESRZSA-N 0 1 272.396 3.894 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3c2cccc3O)c(F)c1 ZINC000631063412 1128982046 /nfs/dbraw/zinc/98/20/46/1128982046.db2.gz FYTMAGGBTDNNQN-MRXNPFEDSA-N 0 1 271.335 3.617 20 0 CHADMN CN1CCC=C(Nc2cccnc2Oc2ccccc2F)C1 ZINC001175574758 1121393026 /nfs/dbraw/zinc/39/30/26/1121393026.db2.gz BUWDEJQZEWDCAL-UHFFFAOYSA-N 0 1 299.349 3.644 20 0 CHADMN CN1CCC=C(Nc2ccccc2OC2CCCC2)C1 ZINC001175577087 1121395175 /nfs/dbraw/zinc/39/51/75/1121395175.db2.gz VJUUMIXMKVDGAR-UHFFFAOYSA-N 0 1 272.392 3.639 20 0 CHADMN FC(F)c1ccc(CN[C@H]2CSc3ccccc32)cn1 ZINC000631075662 1128982780 /nfs/dbraw/zinc/98/27/80/1128982780.db2.gz RNBWHNJOWIZDTL-ZDUSSCGKSA-N 0 1 292.354 3.956 20 0 CHADMN Cc1nc2sccc2c(-c2cc(F)c(O)cc2F)n1 ZINC001206748618 1121400117 /nfs/dbraw/zinc/40/01/17/1121400117.db2.gz LEPOGEGQKSNIBA-UHFFFAOYSA-N 0 1 278.283 3.651 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2)C2CCCC2)nn1C ZINC000676038698 1121400284 /nfs/dbraw/zinc/40/02/84/1121400284.db2.gz ALXLZBWDMFGWPF-SFHVURJKSA-N 0 1 283.419 3.750 20 0 CHADMN Cc1ccc(CN[C@@H](CCCO)c2ccccc2)c(F)c1 ZINC000631077022 1128983181 /nfs/dbraw/zinc/98/31/81/1128983181.db2.gz BSBQBINOWOEFLI-SFHVURJKSA-N 0 1 287.378 3.738 20 0 CHADMN CCN(CCn1nc(C)cc1C)Cc1ccccc1Cl ZINC000345068507 1121412924 /nfs/dbraw/zinc/41/29/24/1121412924.db2.gz KMFDUFMMLNVZNB-UHFFFAOYSA-N 0 1 291.826 3.675 20 0 CHADMN CC(C)(C)c1ccc(CNCc2ccc(F)cn2)s1 ZINC000676240050 1121414536 /nfs/dbraw/zinc/41/45/36/1121414536.db2.gz UYDKWBMXJAFJBJ-UHFFFAOYSA-N 0 1 278.396 3.870 20 0 CHADMN Cc1[nH]nc2ccc(Nc3nc(C)ccc3C)cc21 ZINC001175694097 1121414625 /nfs/dbraw/zinc/41/46/25/1121414625.db2.gz MRJJOJZQSMTXQT-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN CN(Cc1cc(-c2ccccc2Cl)on1)C1CCC1 ZINC000419203353 1121415327 /nfs/dbraw/zinc/41/53/27/1121415327.db2.gz FQBLGKQFFTYBTF-UHFFFAOYSA-N 0 1 276.767 3.979 20 0 CHADMN CCOc1cc(Nc2ccc3n[nH]c(C)c3c2)cc(C)n1 ZINC001175693636 1121415265 /nfs/dbraw/zinc/41/52/65/1121415265.db2.gz GDCBLUIDAJHMON-UHFFFAOYSA-N 0 1 282.347 3.717 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@H]1CCc2c1cccc2F ZINC000147754068 1121416020 /nfs/dbraw/zinc/41/60/20/1121416020.db2.gz OVKDQTOFRQIMMP-VFZGTOFNSA-N 0 1 274.339 3.769 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(C)cnc3Cl)cc12 ZINC001175696100 1121415966 /nfs/dbraw/zinc/41/59/66/1121415966.db2.gz RKJYYUUQASWOSL-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1[nH]nc2ccc(Nc3nc4c(s3)C(=O)CCC4)cc12 ZINC001175696091 1121415974 /nfs/dbraw/zinc/41/59/74/1121415974.db2.gz QZOMTWYLJNTLAN-UHFFFAOYSA-N 0 1 298.371 3.590 20 0 CHADMN COc1cc(Cl)nc(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175698599 1121416421 /nfs/dbraw/zinc/41/64/21/1121416421.db2.gz BIYZQPAFUKABRF-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1[nH]nc2ccc(Nc3snc4cccnc43)cc21 ZINC001175699217 1121416441 /nfs/dbraw/zinc/41/64/41/1121416441.db2.gz MSBGSANMURBWIN-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4nccnc4c3)cc21 ZINC001175698681 1121416577 /nfs/dbraw/zinc/41/65/77/1121416577.db2.gz APXPWDQUWLQYCM-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(-n4cccn4)cc3)cc12 ZINC001175699154 1121417022 /nfs/dbraw/zinc/41/70/22/1121417022.db2.gz JQPIRYBQBFBDKD-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN CC(=O)c1cccc(Nc2ccc3n[nH]c(C)c3c2)c1O ZINC001175699668 1121417884 /nfs/dbraw/zinc/41/78/84/1121417884.db2.gz AEPXJVNSZNKSRH-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN COc1cccc(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175700264 1121417928 /nfs/dbraw/zinc/41/79/28/1121417928.db2.gz XVMZFVGWQWIMET-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN CC(=O)c1ccc(F)c(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175700650 1121418108 /nfs/dbraw/zinc/41/81/08/1121418108.db2.gz QPRMIMKZGPPTSD-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(N)cc3C)cc12 ZINC001175700633 1121418189 /nfs/dbraw/zinc/41/81/89/1121418189.db2.gz PSOAHOQFDLCUAC-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN CCc1ccc(Nc2ccc3n[nH]c(C)c3c2)c(O)c1 ZINC001175700682 1121418433 /nfs/dbraw/zinc/41/84/33/1121418433.db2.gz RNWKRSSSJKKUSR-UHFFFAOYSA-N 0 1 267.332 3.883 20 0 CHADMN CCc1noc(CC)c1CNCc1csc(C)c1C ZINC000631086643 1128984105 /nfs/dbraw/zinc/98/41/05/1128984105.db2.gz CFFOCBXPVISPDM-UHFFFAOYSA-N 0 1 278.421 3.768 20 0 CHADMN COc1ccc(F)cc1CNC(C)(C)c1ccc(F)cc1 ZINC000728929332 1121423041 /nfs/dbraw/zinc/42/30/41/1121423041.db2.gz WOMSQWBFCLYYFX-UHFFFAOYSA-N 0 1 291.341 3.998 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(C(F)(F)F)no3)ccc12 ZINC001175658908 1121423590 /nfs/dbraw/zinc/42/35/90/1121423590.db2.gz AHEDEBUFFKZRQN-UHFFFAOYSA-N 0 1 282.225 3.622 20 0 CHADMN Cc1[nH]nc2cc(Nc3cnccc3Cl)ccc12 ZINC001175659959 1121424493 /nfs/dbraw/zinc/42/44/93/1121424493.db2.gz RPNAXECNKKDFBC-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN COc1c(F)cccc1CN(C)Cc1ccc(C)cc1 ZINC001143533268 1121424810 /nfs/dbraw/zinc/42/48/10/1121424810.db2.gz VPBNYKSBLUOUEM-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN Cc1[nH]nc2cc(Nc3c(F)cccc3F)ccc12 ZINC001175661193 1121424991 /nfs/dbraw/zinc/42/49/91/1121424991.db2.gz DIGBJXRQHWRGJN-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1[nH]nc2cc(N3c4ccc(N)cc4CC[C@@H]3C)ccc12 ZINC001175661369 1121425059 /nfs/dbraw/zinc/42/50/59/1121425059.db2.gz IJLWAQHNEGSZLA-NSHDSACASA-N 0 1 292.386 3.926 20 0 CHADMN Cc1[nH]nc2cc(Nc3ncccc3OC(F)F)ccc12 ZINC001175660836 1121425146 /nfs/dbraw/zinc/42/51/46/1121425146.db2.gz WQZLEEIWPCBGBK-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN CCC(CC)(CC)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000676346168 1121425532 /nfs/dbraw/zinc/42/55/32/1121425532.db2.gz LXCOOMKMLJZGGX-UHFFFAOYSA-N 0 1 277.290 3.583 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4ncoc4c3)ccc12 ZINC001175661890 1121425781 /nfs/dbraw/zinc/42/57/81/1121425781.db2.gz VXSPGHNCPKOPSK-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4nnc(C)cc43)ccc21 ZINC001175662459 1121425842 /nfs/dbraw/zinc/42/58/42/1121425842.db2.gz NALYACNJHJTPNN-UHFFFAOYSA-N 0 1 289.342 3.867 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4nsnc4c3)ccc21 ZINC001175661756 1121425885 /nfs/dbraw/zinc/42/58/85/1121425885.db2.gz QDHYNJJJJPEUMR-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN COc1ccc(C)c(Nc2ccc3c(c2)n[nH]c3C)c1 ZINC001175661992 1121425924 /nfs/dbraw/zinc/42/59/24/1121425924.db2.gz YIPZOGRDMSNDGX-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN CC(=O)Nc1cc(Nc2ccc3c(C)[nH]nc3c2)ccc1C ZINC001175662307 1121426150 /nfs/dbraw/zinc/42/61/50/1121426150.db2.gz FPJNITDFTWDSFR-UHFFFAOYSA-N 0 1 294.358 3.882 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4c3cc[nH]c4=O)ccc12 ZINC001175662403 1121426350 /nfs/dbraw/zinc/42/63/50/1121426350.db2.gz KPIDHIMTHDRDBE-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN CCCC[N@@H+](C)Cc1cc(OC(F)(F)F)ccc1F ZINC001143538138 1121427539 /nfs/dbraw/zinc/42/75/39/1121427539.db2.gz ICFGENHLIGKNCO-UHFFFAOYSA-N 0 1 279.277 3.956 20 0 CHADMN CCCCN(C)Cc1cc(OC(F)(F)F)ccc1F ZINC001143538138 1121427542 /nfs/dbraw/zinc/42/75/42/1121427542.db2.gz ICFGENHLIGKNCO-UHFFFAOYSA-N 0 1 279.277 3.956 20 0 CHADMN CC(=O)c1ccc(F)c(Nc2ccc3c(C)[nH]nc3c2)c1 ZINC001175662796 1121428250 /nfs/dbraw/zinc/42/82/50/1121428250.db2.gz DLNINGAYPXZOFW-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN Cc1cc(CN[C@H](Cn2ccnc2)c2ccccc2)cs1 ZINC001175668820 1121429489 /nfs/dbraw/zinc/42/94/89/1121429489.db2.gz HUMLOWQHPJWJFT-QGZVFWFLSA-N 0 1 297.427 3.784 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)c3ccco3)c2C)o1 ZINC000676397873 1121430659 /nfs/dbraw/zinc/43/06/59/1121430659.db2.gz VIZLIFNGFDXEST-JTQLQIEISA-N 0 1 299.330 3.622 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@@H](C)c2nc(C)sc2C)C12CCC2 ZINC000676493113 1121436803 /nfs/dbraw/zinc/43/68/03/1121436803.db2.gz RSAZEUHNUUUTSA-ZLKJLUDKSA-N 0 1 294.464 3.758 20 0 CHADMN CCCC[C@@H](COC)N[C@H](C)c1nc(C)sc1C ZINC000676489042 1121437618 /nfs/dbraw/zinc/43/76/18/1121437618.db2.gz GWYXIYHAIZXHQZ-MFKMUULPSA-N 0 1 270.442 3.616 20 0 CHADMN CCCC[C@H](COC)N[C@@H](C)c1nc(C)sc1C ZINC000676489041 1121437763 /nfs/dbraw/zinc/43/77/63/1121437763.db2.gz GWYXIYHAIZXHQZ-GXFFZTMASA-N 0 1 270.442 3.616 20 0 CHADMN Cc1[nH]nc(CN(Cc2ccco2)Cc2ccccc2)c1C ZINC000893905577 1121437805 /nfs/dbraw/zinc/43/78/05/1121437805.db2.gz QSDGLIDCAHAJOC-UHFFFAOYSA-N 0 1 295.386 3.822 20 0 CHADMN Cn1cc([C@@H](NCC2=CCCCC2)c2ccccc2)cn1 ZINC000294942692 1121441390 /nfs/dbraw/zinc/44/13/90/1121441390.db2.gz IJGUYFSUPDXLQO-SFHVURJKSA-N 0 1 281.403 3.600 20 0 CHADMN Cc1noc2ncc(CN(Cc3ccco3)C(C)C)cc12 ZINC000893924891 1121441950 /nfs/dbraw/zinc/44/19/50/1121441950.db2.gz NWGOUGGKDGPZEX-UHFFFAOYSA-N 0 1 285.347 3.535 20 0 CHADMN CN(Cc1cc2ccccc2n1C)Cc1cccc(O)c1 ZINC001139868656 1121446810 /nfs/dbraw/zinc/44/68/10/1121446810.db2.gz UNFBVXHVSGGLFL-UHFFFAOYSA-N 0 1 280.371 3.516 20 0 CHADMN Cc1n[nH]c(CN(C2CC2)[C@@H]2CCc3ccccc32)c1C ZINC000893969547 1121448103 /nfs/dbraw/zinc/44/81/03/1121448103.db2.gz VHWWIXBWWVLQCH-GOSISDBHSA-N 0 1 281.403 3.678 20 0 CHADMN CCCSC[C@H](C)N[C@@H](C)c1nnc([C@@H](C)CC)[nH]1 ZINC000894008950 1121452153 /nfs/dbraw/zinc/45/21/53/1121452153.db2.gz PPXOTSRLMLKRCP-SRVKXCTJSA-N 0 1 284.473 3.501 20 0 CHADMN Cc1n[nH]c(CN2CCC(c3ccc(F)cc3)CC2)c1C ZINC000894021672 1121456346 /nfs/dbraw/zinc/45/63/46/1121456346.db2.gz PXSLHRPWXXRHTN-UHFFFAOYSA-N 0 1 287.382 3.545 20 0 CHADMN Cc1ncoc1CN(Cc1ccc(F)cc1)CC1CC1 ZINC000894033951 1121457335 /nfs/dbraw/zinc/45/73/35/1121457335.db2.gz OAODPMVZXVOTDG-UHFFFAOYSA-N 0 1 274.339 3.534 20 0 CHADMN COCc1cccc(CN2CCOc3ccccc3[C@@H]2C)c1 ZINC000676715670 1121458534 /nfs/dbraw/zinc/45/85/34/1121458534.db2.gz DWUUQRLYMQPYGH-HNNXBMFYSA-N 0 1 297.398 3.789 20 0 CHADMN Cc1[nH]nc(CN2CC[C@@H]2c2ccc(Cl)cc2)c1C ZINC000894059382 1121462526 /nfs/dbraw/zinc/46/25/26/1121462526.db2.gz QVJNSKBDGUALCZ-OAHLLOKOSA-N 0 1 275.783 3.627 20 0 CHADMN COc1cncc(CNCc2c(C)oc3ccccc32)c1C ZINC000631113300 1128986092 /nfs/dbraw/zinc/98/60/92/1128986092.db2.gz LDZJXHBMMTYQPA-UHFFFAOYSA-N 0 1 296.370 3.743 20 0 CHADMN O=C([O-])c1csc(C[N@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC000708863479 1121465719 /nfs/dbraw/zinc/46/57/19/1121465719.db2.gz WHLXNYJLCZCCMM-ZDUSSCGKSA-N 0 1 293.432 3.849 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2ccc(C)cc2F)n[nH]1 ZINC000631119837 1128986172 /nfs/dbraw/zinc/98/61/72/1128986172.db2.gz DNTZWYZTCYSRGN-NWDGAFQWSA-N 0 1 290.386 3.617 20 0 CHADMN CCC[C@@H]1CCCN(Cc2cccc(Cl)n2)C1 ZINC000708502691 1121468255 /nfs/dbraw/zinc/46/82/55/1121468255.db2.gz MRBNVAIJOVCKTJ-GFCCVEGCSA-N 0 1 252.789 3.747 20 0 CHADMN CC(C)c1nnc(Nc2ccc(-c3ccccc3)nc2)o1 ZINC001175833110 1121469640 /nfs/dbraw/zinc/46/96/40/1121469640.db2.gz PQHQLSYWDKJZMX-UHFFFAOYSA-N 0 1 280.331 3.999 20 0 CHADMN Cc1scc(CNCc2ccc3c(n2)CCCC3)c1C ZINC000631121885 1128986426 /nfs/dbraw/zinc/98/64/26/1128986426.db2.gz UETUYEWOXPPSRH-UHFFFAOYSA-N 0 1 286.444 3.929 20 0 CHADMN COc1cnccc1[C@H](C)NCc1csc(C)c1C ZINC000631117971 1128986485 /nfs/dbraw/zinc/98/64/85/1128986485.db2.gz CNLOOQPFLOWJAV-NSHDSACASA-N 0 1 276.405 3.619 20 0 CHADMN CC(C)C[C@@H](N[C@H](C)c1cn(C)cn1)c1ccccc1 ZINC000709921111 1121471815 /nfs/dbraw/zinc/47/18/15/1121471815.db2.gz SWVLFQMRGUPRPK-GDBMZVCRSA-N 0 1 271.408 3.858 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N2CCC[C@H]2C)n1 ZINC000245498853 1121475476 /nfs/dbraw/zinc/47/54/76/1121475476.db2.gz XANWZYKMMCMRBP-OLZOCXBDSA-N 0 1 271.364 3.590 20 0 CHADMN Cc1cc(-c2noc([C@@H]3CC[C@@H](C)C3)n2)cc2nc[nH]c21 ZINC000545725014 1121481625 /nfs/dbraw/zinc/48/16/25/1121481625.db2.gz WPCCWOQZYHSNGA-MWLCHTKSSA-N 0 1 282.347 3.825 20 0 CHADMN CC(C)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000028831318 1121481730 /nfs/dbraw/zinc/48/17/30/1121481730.db2.gz OFBJYRJAHVURSC-UHFFFAOYSA-N 0 1 267.785 3.873 20 0 CHADMN C[C@@H]1[C@@H](C)N(Cc2csc(Cl)c2Cl)CCN1C ZINC000432924814 1121482411 /nfs/dbraw/zinc/48/24/11/1121482411.db2.gz OCPPETGXEKPORG-RKDXNWHRSA-N 0 1 293.263 3.579 20 0 CHADMN Cn1ccc2c1cccc2Nc1ccnn1-c1ccncc1 ZINC001175866364 1121484682 /nfs/dbraw/zinc/48/46/82/1121484682.db2.gz TZCSNABSBVPTGE-UHFFFAOYSA-N 0 1 289.342 3.503 20 0 CHADMN CC(C)Oc1ccc(Nc2ccnc(CO)c2)cc1Cl ZINC001175868828 1121486472 /nfs/dbraw/zinc/48/64/72/1121486472.db2.gz HBFWUXQEHSJHNS-UHFFFAOYSA-N 0 1 292.766 3.758 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000432937866 1121488590 /nfs/dbraw/zinc/48/85/90/1121488590.db2.gz IYYKURYSXFPQBM-ZDUSSCGKSA-N 0 1 286.423 3.604 20 0 CHADMN Cc1cc(C)c(C=CCNCc2n[nH]c(C(C)C)n2)cc1C ZINC000631150350 1128987644 /nfs/dbraw/zinc/98/76/44/1128987644.db2.gz ZRYFPQVBURGETI-SREVYHEPSA-N 0 1 298.434 3.656 20 0 CHADMN CC1(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)CCC1 ZINC000432945554 1121491623 /nfs/dbraw/zinc/49/16/23/1121491623.db2.gz SJOKFJJDTWVNRW-OAHLLOKOSA-N 0 1 279.811 3.904 20 0 CHADMN CN(C)c1ccccc1CNC(C)(C)c1ccccc1F ZINC000429267353 1121492678 /nfs/dbraw/zinc/49/26/78/1121492678.db2.gz XRFPSWIZQCKIIB-UHFFFAOYSA-N 0 1 286.394 3.917 20 0 CHADMN c1cc(CNc2ccc3cnccc3c2)n(CC2CCC2)n1 ZINC000631154881 1128988103 /nfs/dbraw/zinc/98/81/03/1128988103.db2.gz JOGBWFLCQFKHDV-UHFFFAOYSA-N 0 1 292.386 3.844 20 0 CHADMN CCOC[C@H]1CCCN([C@H](C)c2c(F)cccc2F)C1 ZINC000246332918 1121497598 /nfs/dbraw/zinc/49/75/98/1121497598.db2.gz IBPYPOCUKAAQIK-OLZOCXBDSA-N 0 1 283.362 3.774 20 0 CHADMN Cc1nc([C@H](C)NCCSCC(C)C)c(C)s1 ZINC000397398232 1121498574 /nfs/dbraw/zinc/49/85/74/1121498574.db2.gz QADAQDHFEXCAJG-JTQLQIEISA-N 0 1 272.483 3.800 20 0 CHADMN CCc1onc(C)c1CNC/C=C/c1ccc(F)cc1F ZINC000922983787 1121503275 /nfs/dbraw/zinc/50/32/75/1121503275.db2.gz QPOXRWCGZRSOPW-SNAWJCMRSA-N 0 1 292.329 3.627 20 0 CHADMN CC[C@H]1CCN1Cc1ccc(Br)cc1C ZINC000429280649 1121503692 /nfs/dbraw/zinc/50/36/92/1121503692.db2.gz QQEGDOGCILUUIC-ZDUSSCGKSA-N 0 1 268.198 3.742 20 0 CHADMN CCc1onc(C)c1CNCc1csc(C)c1C ZINC000922980951 1121505111 /nfs/dbraw/zinc/50/51/11/1121505111.db2.gz AKHZPALMZXLCTO-UHFFFAOYSA-N 0 1 264.394 3.514 20 0 CHADMN CCCOc1ccc(CNCc2c(C)noc2CC)cc1 ZINC000922986562 1121505133 /nfs/dbraw/zinc/50/51/33/1121505133.db2.gz CSMQJCOGHZXHET-UHFFFAOYSA-N 0 1 288.391 3.624 20 0 CHADMN C[C@@H](N[C@H]1c2ccccc2CC[C@H]1O)c1ccccc1F ZINC000922990542 1121507297 /nfs/dbraw/zinc/50/72/97/1121507297.db2.gz OOPKOKRAMSDBQY-PJSAGSTRSA-N 0 1 285.362 3.525 20 0 CHADMN COc1ccc(Cl)cc1CN1CCC[C@@H](CSC)C1 ZINC000429281748 1121507421 /nfs/dbraw/zinc/50/74/21/1121507421.db2.gz XBIMRULPPQQJER-GFCCVEGCSA-N 0 1 299.867 3.924 20 0 CHADMN [NH3+]Cc1ccc(Nc2ccc(Cl)c(Cl)c2[O-])cc1 ZINC001175972234 1121508482 /nfs/dbraw/zinc/50/84/82/1121508482.db2.gz WJRQUCNEVMYHTR-UHFFFAOYSA-N 0 1 283.158 3.901 20 0 CHADMN CN(Cc1nc(C(C)(C)C)co1)C1(C)CCCC1 ZINC000894104635 1121509520 /nfs/dbraw/zinc/50/95/20/1121509520.db2.gz GUFVFTRRLWTBFE-UHFFFAOYSA-N 0 1 250.386 3.737 20 0 CHADMN CCCc1c(C)[nH]n(-c2ccccc2Br)c1=O ZINC000614184540 1121509730 /nfs/dbraw/zinc/50/97/30/1121509730.db2.gz BUXOAQIABWPHQS-JTQLQIEISA-N 0 1 295.180 3.588 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1nc2ccc(Cl)cc2n1C ZINC000512652338 1121509991 /nfs/dbraw/zinc/50/99/91/1121509991.db2.gz MCVBZJOXBMYISB-NWDGAFQWSA-N 0 1 291.826 3.847 20 0 CHADMN C[C@@]1(NCc2cc3cccnc3o2)CCOc2ccccc21 ZINC000923025379 1121514098 /nfs/dbraw/zinc/51/40/98/1121514098.db2.gz OFXJRGPFKNTAFW-GOSISDBHSA-N 0 1 294.354 3.615 20 0 CHADMN CCCc1c(C)[nH]n(-c2ccccc2C(F)(F)F)c1=O ZINC000614185915 1121514208 /nfs/dbraw/zinc/51/42/08/1121514208.db2.gz ZRRXRCRQGSKZGM-JTQLQIEISA-N 0 1 284.281 3.844 20 0 CHADMN C[C@H]1CCCC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000512658137 1121514406 /nfs/dbraw/zinc/51/44/06/1121514406.db2.gz OFKMXWZYQOSZII-NSHDSACASA-N 0 1 253.773 3.668 20 0 CHADMN Fc1ccc(F)c(CN[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000631185654 1128990834 /nfs/dbraw/zinc/99/08/34/1128990834.db2.gz QKMRYKDMKAPEII-SJORKVTESA-N 0 1 289.325 3.585 20 0 CHADMN Oc1c(Cl)cc(Cl)cc1Nc1ccc2nn[nH]c2c1 ZINC001176001796 1121519051 /nfs/dbraw/zinc/51/90/51/1121519051.db2.gz BNZYYQSEYPYNLW-UHFFFAOYSA-N 0 1 295.129 3.714 20 0 CHADMN CSC[C@H]1CCCN(Cc2nc3ccc(F)cc3o2)C1 ZINC000429307107 1121520180 /nfs/dbraw/zinc/52/01/80/1121520180.db2.gz ODVTZIULHVFNSA-NSHDSACASA-N 0 1 294.395 3.542 20 0 CHADMN CCCc1cccc(Nc2ccc3nn[nH]c3c2)c1 ZINC001176003067 1121520315 /nfs/dbraw/zinc/52/03/15/1121520315.db2.gz BICHPPASJMAHPZ-UHFFFAOYSA-N 0 1 252.321 3.654 20 0 CHADMN CCCc1cccc(Nc2ccc3n[nH]nc3c2)c1 ZINC001176003067 1121520319 /nfs/dbraw/zinc/52/03/19/1121520319.db2.gz BICHPPASJMAHPZ-UHFFFAOYSA-N 0 1 252.321 3.654 20 0 CHADMN Fc1cc(C(F)(F)F)ccc1Nc1ccc2nn[nH]c2c1 ZINC001176006295 1121522329 /nfs/dbraw/zinc/52/23/29/1121522329.db2.gz ZUQYSUMSIZEQPM-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Fc1cc(C(F)(F)F)ccc1Nc1ccc2n[nH]nc2c1 ZINC001176006295 1121522333 /nfs/dbraw/zinc/52/23/33/1121522333.db2.gz ZUQYSUMSIZEQPM-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Cc1cc(OC(F)F)ccc1Nc1ccc2nn[nH]c2c1 ZINC001176002751 1121522415 /nfs/dbraw/zinc/52/24/15/1121522415.db2.gz UZKVBWMFRFGQGK-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1cc(OC(F)F)ccc1Nc1ccc2n[nH]nc2c1 ZINC001176002751 1121522420 /nfs/dbraw/zinc/52/24/20/1121522420.db2.gz UZKVBWMFRFGQGK-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1nn(C)c(Cl)c1CN1CC2(CC=CC2)[C@@H]1C(C)C ZINC000843431335 1121522915 /nfs/dbraw/zinc/52/29/15/1121522915.db2.gz BVADOAZJHYXHQF-AWEZNQCLSA-N 0 1 293.842 3.559 20 0 CHADMN C[C@H]1CC2(CCC2)CN1Cc1cc(F)c(F)c(F)c1 ZINC000433027611 1121525368 /nfs/dbraw/zinc/52/53/68/1121525368.db2.gz WBQVXDWASRLKBN-JTQLQIEISA-N 0 1 269.310 3.868 20 0 CHADMN CC[C@@](C)(NCc1cn2ccccc2n1)c1ccc(F)cc1 ZINC000631193252 1128991243 /nfs/dbraw/zinc/99/12/43/1128991243.db2.gz CHSPDELCQYCXPR-GOSISDBHSA-N 0 1 297.377 3.888 20 0 CHADMN COCc1cnc(CN(C)C2CCC(C(C)C)CC2)s1 ZINC000433031424 1121527643 /nfs/dbraw/zinc/52/76/43/1121527643.db2.gz NLSLWXPQJDSPDQ-UHFFFAOYSA-N 0 1 296.480 3.936 20 0 CHADMN Cc1nn(C(C)C)cc1CNCc1ccc2cccnc2c1 ZINC000631205795 1128992208 /nfs/dbraw/zinc/99/22/08/1128992208.db2.gz AGASLRXRSPTPHK-UHFFFAOYSA-N 0 1 294.402 3.610 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC[C@@H](c3ccccc3)C2)o1 ZINC000433051860 1121539980 /nfs/dbraw/zinc/53/99/80/1121539980.db2.gz JESRCFONUFIIKZ-UKRRQHHQSA-N 0 1 285.391 3.573 20 0 CHADMN CCc1ccc(CN2CCS[C@@H](c3ccccc3)C2)nc1 ZINC000645087784 1121541493 /nfs/dbraw/zinc/54/14/93/1121541493.db2.gz XMTAEOTZXCRTRJ-GOSISDBHSA-N 0 1 298.455 3.934 20 0 CHADMN C[C@H](c1ccco1)N(C)C[C@@H]1CCCC2(CCC2)O1 ZINC000929369952 1121541928 /nfs/dbraw/zinc/54/19/28/1121541928.db2.gz MBAXYZXYWQSTNE-KGLIPLIRSA-N 0 1 263.381 3.764 20 0 CHADMN O=C(C[N@H+]1CCC[C@H](c2ccccc2)C1)Nc1ccccc1 ZINC000433060732 1121543266 /nfs/dbraw/zinc/54/32/66/1121543266.db2.gz HLPARSODVPOHRI-KRWDZBQOSA-N 0 1 294.398 3.505 20 0 CHADMN O=C(CN1CCC[C@H](c2ccccc2)C1)Nc1ccccc1 ZINC000433060732 1121543271 /nfs/dbraw/zinc/54/32/71/1121543271.db2.gz HLPARSODVPOHRI-KRWDZBQOSA-N 0 1 294.398 3.505 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CCC[C@@H](c2ccccc2)C1 ZINC000433070114 1121549117 /nfs/dbraw/zinc/54/91/17/1121549117.db2.gz WZPPLOUECXKCNJ-XJKSGUPXSA-N 0 1 297.402 3.888 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000711617742 1121561512 /nfs/dbraw/zinc/56/15/12/1121561512.db2.gz QTTMBWKJVSNKRM-OFQRWUPVSA-N 0 1 267.413 3.532 20 0 CHADMN CCc1ccc(CN2CCC(CC(F)(F)F)CC2)nc1 ZINC000645143040 1121564851 /nfs/dbraw/zinc/56/48/51/1121564851.db2.gz GTAUGBQMVRCQDK-UHFFFAOYSA-N 0 1 286.341 3.808 20 0 CHADMN C[C@@H]1CC(F)(F)CCN1Cc1ccc(OC(F)F)cc1 ZINC000625979606 1121566087 /nfs/dbraw/zinc/56/60/87/1121566087.db2.gz DPIOKWSGKUBNKC-SNVBAGLBSA-N 0 1 291.288 3.908 20 0 CHADMN FCC[C@H]1CN(C(c2ccccc2)c2ccccc2)CCO1 ZINC000626000294 1121572548 /nfs/dbraw/zinc/57/25/48/1121572548.db2.gz NFFQZKGYZILROD-SFHVURJKSA-N 0 1 299.389 3.836 20 0 CHADMN C[C@@H](CCSc1ccccc1)N1CCO[C@H](CCF)C1 ZINC000626004442 1121573282 /nfs/dbraw/zinc/57/32/82/1121573282.db2.gz HVPPYQDWOZOCSK-LSDHHAIUSA-N 0 1 297.439 3.618 20 0 CHADMN CC(C)c1ocnc1CN(C)C1CCCCCC1 ZINC000092792766 1121573771 /nfs/dbraw/zinc/57/37/71/1121573771.db2.gz KHCKHLJIRQUAND-UHFFFAOYSA-N 0 1 250.386 3.953 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc2c(c1)CCC2=O ZINC001176232564 1121581152 /nfs/dbraw/zinc/58/11/52/1121581152.db2.gz XDQBYNVYZHKDGG-UHFFFAOYSA-N 0 1 295.317 3.654 20 0 CHADMN C[C@@H](CC1CCC1)NCc1ncc(C(F)(F)F)s1 ZINC000631251738 1128994871 /nfs/dbraw/zinc/99/48/71/1128994871.db2.gz GHDNRNLOGSXSLI-QMMMGPOBSA-N 0 1 278.343 3.830 20 0 CHADMN CCc1ccc(CNC(C)(C)c2ccc(F)c(F)c2)nc1 ZINC000411471582 1121590487 /nfs/dbraw/zinc/59/04/87/1121590487.db2.gz GHKUKCVVLQJTSN-UHFFFAOYSA-N 0 1 290.357 3.947 20 0 CHADMN CCCOc1cccc(F)c1Nc1cc(=O)[nH]c(Cl)n1 ZINC001211786249 1121590720 /nfs/dbraw/zinc/59/07/20/1121590720.db2.gz WQSYLUUBTBNGFF-UHFFFAOYSA-N 0 1 297.717 3.507 20 0 CHADMN CC(C)(C)Sc1ccc(NCc2cnc[nH]2)cc1 ZINC000894123368 1121592495 /nfs/dbraw/zinc/59/24/95/1121592495.db2.gz JGPWYCMXFWHZES-UHFFFAOYSA-N 0 1 261.394 3.912 20 0 CHADMN FC(F)(F)[C@@H]1C[C@H]1NCc1cc2cc(Cl)cnc2o1 ZINC000631260615 1128995812 /nfs/dbraw/zinc/99/58/12/1128995812.db2.gz ARLHBDFGJLVKBF-NXEZZACHSA-N 0 1 290.672 3.522 20 0 CHADMN Cc1ccc(NC(=O)CN2CC[C@@H](CC(C)C)C2)c(C)c1 ZINC000466744551 1121595830 /nfs/dbraw/zinc/59/58/30/1121595830.db2.gz VECQHFOPGDSFSD-INIZCTEOSA-N 0 1 288.435 3.610 20 0 CHADMN c1csc([C@@H]2CN([C@@H]3CCc4ccccc43)CCO2)c1 ZINC000682068435 1121605673 /nfs/dbraw/zinc/60/56/73/1121605673.db2.gz ABVZLGYUAPTDES-CVEARBPZSA-N 0 1 285.412 3.809 20 0 CHADMN CCCOc1ccc(Nc2ccnc(CO)c2)cc1Cl ZINC001176308496 1121606269 /nfs/dbraw/zinc/60/62/69/1121606269.db2.gz RNVTZMMHRGWNEV-UHFFFAOYSA-N 0 1 292.766 3.760 20 0 CHADMN Cc1cnc(CNCC(c2ccccc2)c2ccccc2)o1 ZINC000318898965 1121606532 /nfs/dbraw/zinc/60/65/32/1121606532.db2.gz JDVJINVVFJQDEL-UHFFFAOYSA-N 0 1 292.382 3.905 20 0 CHADMN CCc1cc(Nc2ccnc(CO)c2)ccc1Cl ZINC001176391948 1121610883 /nfs/dbraw/zinc/61/08/83/1121610883.db2.gz YHMQXWMBUIBYMS-UHFFFAOYSA-N 0 1 262.740 3.533 20 0 CHADMN CN(Cc1ccc(Cl)nc1)C[C@]1(C)CC1(Cl)Cl ZINC000827990543 1121616586 /nfs/dbraw/zinc/61/65/86/1121616586.db2.gz HAEHNUARMWJUDY-NSHDSACASA-N 0 1 293.625 3.751 20 0 CHADMN OCc1cc(Nc2ccc(Oc3ccccc3)nc2)ccn1 ZINC001176375583 1121619029 /nfs/dbraw/zinc/61/90/29/1121619029.db2.gz HBELNFAEPDPWBH-UHFFFAOYSA-N 0 1 293.326 3.505 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccoc2)cc1F ZINC000094868438 1128997787 /nfs/dbraw/zinc/99/77/87/1128997787.db2.gz SQBBXAJIYOMLJE-WDEREUQCSA-N 0 1 263.312 3.839 20 0 CHADMN COc1cccc(CN2CCC[C@H](F)CC2)c1Cl ZINC001237185324 1128998048 /nfs/dbraw/zinc/99/80/48/1128998048.db2.gz MQSHOWRRXQCADA-LBPRGKRZSA-N 0 1 271.763 3.673 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(OC(C)C)cc1C ZINC001211812570 1121623941 /nfs/dbraw/zinc/62/39/41/1121623941.db2.gz FFYXKDVJGZWYSG-UHFFFAOYSA-N 0 1 259.353 3.568 20 0 CHADMN Cc1cc(OC(C)C)ccc1Nc1cc(=O)[nH]c(Cl)n1 ZINC001211812690 1121625732 /nfs/dbraw/zinc/62/57/32/1121625732.db2.gz HQSPCBWNDJSXSS-UHFFFAOYSA-N 0 1 293.754 3.675 20 0 CHADMN CCn1cc(CN[C@H](C)c2ccccc2OC(C)C)cn1 ZINC000226029621 1121638512 /nfs/dbraw/zinc/63/85/12/1121638512.db2.gz UHGSPDRNLJWBQD-CQSZACIVSA-N 0 1 287.407 3.541 20 0 CHADMN CCCCOc1ccc(Nc2cncn2C)c(F)c1F ZINC001176520795 1121642699 /nfs/dbraw/zinc/64/26/99/1121642699.db2.gz ZPLGGHRCFZSURU-UHFFFAOYSA-N 0 1 281.306 3.621 20 0 CHADMN Cc1cc(CN2CC[C@H](c3cccc(Cl)c3)C2)on1 ZINC000433311505 1121645803 /nfs/dbraw/zinc/64/58/03/1121645803.db2.gz HNROFGNBXTUTHQ-ZDUSSCGKSA-N 0 1 276.767 3.626 20 0 CHADMN CC(C)c1ccc(N(C)C(=O)[C@@](C)(N)c2ccccc2)cc1 ZINC000192498885 1128999729 /nfs/dbraw/zinc/99/97/29/1128999729.db2.gz FISLZCJNXVNARW-IBGZPJMESA-N 0 1 296.414 3.647 20 0 CHADMN C[C@@H](CCC1CC1)NCc1ncc(C(F)(F)F)s1 ZINC000433322492 1121647231 /nfs/dbraw/zinc/64/72/31/1121647231.db2.gz XUJCBRANDBQJDZ-QMMMGPOBSA-N 0 1 278.343 3.830 20 0 CHADMN CSCCN[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000611524230 1121654492 /nfs/dbraw/zinc/65/44/92/1121654492.db2.gz JHHFNILXUBKEST-QGZVFWFLSA-N 0 1 298.411 3.870 20 0 CHADMN CCCCCCN1CCO[C@@H](Cc2ccccc2)C1 ZINC001168764569 1121660244 /nfs/dbraw/zinc/66/02/44/1121660244.db2.gz ACHBEAFRQYSYKN-KRWDZBQOSA-N 0 1 261.409 3.510 20 0 CHADMN CCc1ccc(-c2ccc(C[N@H+]3CCCOCC3)o2)cc1 ZINC000510488450 1121668082 /nfs/dbraw/zinc/66/80/82/1121668082.db2.gz FUMIMRURMHIXOG-UHFFFAOYSA-N 0 1 285.387 3.731 20 0 CHADMN CCc1ccc(-c2ccc(CN3CCCOCC3)o2)cc1 ZINC000510488450 1121668084 /nfs/dbraw/zinc/66/80/84/1121668084.db2.gz FUMIMRURMHIXOG-UHFFFAOYSA-N 0 1 285.387 3.731 20 0 CHADMN Cc1sc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)c(C)c1C ZINC000419338047 1121668545 /nfs/dbraw/zinc/66/85/45/1121668545.db2.gz BSJJKNLNWFCTFG-OUJBWJOFSA-N 0 1 294.464 3.588 20 0 CHADMN CO[C@H](CN[C@H](c1ccco1)c1ccccc1)C(C)C ZINC000273399735 1121675222 /nfs/dbraw/zinc/67/52/22/1121675222.db2.gz UJUIWILMNVMNDP-SJORKVTESA-N 0 1 273.376 3.630 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2cn3ccsc3n2)C1 ZINC000513262102 1121676625 /nfs/dbraw/zinc/67/66/25/1121676625.db2.gz QWBSRYNQMLUCCR-CJNGLKHVSA-N 0 1 297.427 3.979 20 0 CHADMN CCOc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)o1 ZINC000894162149 1121679674 /nfs/dbraw/zinc/67/96/74/1121679674.db2.gz OOKPUVCZKCRYGC-MRXNPFEDSA-N 0 1 289.350 3.985 20 0 CHADMN C[C@@H]1CN(Cc2cncc(C(F)(F)F)c2)[C@@H](C)[C@H]1C ZINC000419353229 1121679825 /nfs/dbraw/zinc/67/98/25/1121679825.db2.gz LCZWQXKDPDBLOH-VWYCJHECSA-N 0 1 272.314 3.577 20 0 CHADMN CN(CCSc1ccccc1F)Cc1ccoc1 ZINC000345088018 1121685262 /nfs/dbraw/zinc/68/52/62/1121685262.db2.gz ADYTVALYCSHUNG-UHFFFAOYSA-N 0 1 265.353 3.643 20 0 CHADMN Cc1cc(C)c(CN2CCc3ccsc3C2)c(C)n1 ZINC001176760676 1121692912 /nfs/dbraw/zinc/69/29/12/1121692912.db2.gz DCXBZWAICXQBGE-UHFFFAOYSA-N 0 1 272.417 3.627 20 0 CHADMN CCc1ccc(CN2CCc3ncc(C)cc3C2)cc1 ZINC001204177716 1121693240 /nfs/dbraw/zinc/69/32/40/1121693240.db2.gz AKPYHVDVGSWCNO-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN Cc1cccc(-c2noc(CN(C)CCC(C)C)n2)c1 ZINC000052246224 1121696868 /nfs/dbraw/zinc/69/68/68/1121696868.db2.gz QYQNNNYNMNBKCV-UHFFFAOYSA-N 0 1 273.380 3.523 20 0 CHADMN Clc1cccc(CN2CCC3(COC3)CC2)c1Cl ZINC001204181660 1121703696 /nfs/dbraw/zinc/70/36/96/1121703696.db2.gz YANGXPNZSALLMT-UHFFFAOYSA-N 0 1 286.202 3.606 20 0 CHADMN CSc1ccccc1NC(=S)N1CCCC[C@H](F)C1 ZINC001249690454 1121704065 /nfs/dbraw/zinc/70/40/65/1121704065.db2.gz XWINLTQWPPOSPI-NSHDSACASA-N 0 1 298.452 3.929 20 0 CHADMN CC[C@@H](NC)c1nc(-c2cccc3ccccc32)no1 ZINC000054438474 1121704294 /nfs/dbraw/zinc/70/42/94/1121704294.db2.gz NPXAHVHINROITR-CQSZACIVSA-N 0 1 267.332 3.560 20 0 CHADMN Cc1cccc(CNCc2cnc([C@@H]3CCCO3)s2)c1 ZINC001177171047 1121715304 /nfs/dbraw/zinc/71/53/04/1121715304.db2.gz SLZHNKJPZDQBBH-HNNXBMFYSA-N 0 1 288.416 3.593 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1ccccc1F ZINC001203353385 1121718275 /nfs/dbraw/zinc/71/82/75/1121718275.db2.gz CDHZAUKDEFBOCO-UHFFFAOYSA-N 0 1 261.315 3.987 20 0 CHADMN Fc1cccc(Br)c1CN[C@H]1CC[C@@H](F)C1 ZINC000336698705 1121721627 /nfs/dbraw/zinc/72/16/27/1121721627.db2.gz MVUUNSRZSHNWHB-BDAKNGLRSA-N 0 1 290.151 3.568 20 0 CHADMN Clc1ccc(-c2ccc(CN3CCCOCC3)o2)cc1 ZINC000536649433 1121746500 /nfs/dbraw/zinc/74/65/00/1121746500.db2.gz PZIDXDMGHHZFJD-UHFFFAOYSA-N 0 1 291.778 3.822 20 0 CHADMN Cc1ccn2cc(CNCc3ccccc3C3CC3)nc2c1 ZINC001177737842 1121747755 /nfs/dbraw/zinc/74/77/55/1121747755.db2.gz VQUGEESUMZOBQY-UHFFFAOYSA-N 0 1 291.398 3.810 20 0 CHADMN Cc1cc(CN2C[C@@H](C)C[C@@H]2c2ccccc2)no1 ZINC000285615149 1121763680 /nfs/dbraw/zinc/76/36/80/1121763680.db2.gz KBZNDUPWGJGSHR-BLLLJJGKSA-N 0 1 256.349 3.566 20 0 CHADMN CN1Cc2ccc(NC/C=C/c3ccc(F)cc3)cc2C1 ZINC001178094268 1121766358 /nfs/dbraw/zinc/76/63/58/1121766358.db2.gz BPDDUBIXBFTIPH-NSCUHMNNSA-N 0 1 282.362 3.896 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCCc3ncccc32)o1 ZINC000631570363 1129007781 /nfs/dbraw/zinc/00/77/81/1129007781.db2.gz SFRHZXLRPCJLKE-ISTRZQFTSA-N 0 1 282.387 3.965 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H](C)c1ncc[nH]1)C(C)C ZINC000286376192 1121768274 /nfs/dbraw/zinc/76/82/74/1121768274.db2.gz ZVYJUCSHCBYKPP-DZGCQCFKSA-N 0 1 257.381 3.766 20 0 CHADMN CC(C)c1ccc(O[C@@H](C)CN[C@@H](C)c2ncc[nH]2)cc1 ZINC000287201990 1121769897 /nfs/dbraw/zinc/76/98/97/1121769897.db2.gz WJPZMJIYHKTOMK-KBPBESRZSA-N 0 1 287.407 3.651 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](N[C@@H](C)c1ncc[nH]1)CC2 ZINC000287311618 1121769950 /nfs/dbraw/zinc/76/99/50/1121769950.db2.gz FABZJZKEHDJMPO-BLLLJJGKSA-N 0 1 269.392 3.871 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@H](C)c1c[nH]c2ncccc12 ZINC000168200189 1121770433 /nfs/dbraw/zinc/77/04/33/1121770433.db2.gz GMLQBYPXCRSVPT-NXEZZACHSA-N 0 1 284.363 3.580 20 0 CHADMN CCN1CCCC[C@@H]1C(=O)Nc1ccc2ccccc2c1 ZINC000729295613 1121772763 /nfs/dbraw/zinc/77/27/63/1121772763.db2.gz BGTRGQMKMUVBPX-QGZVFWFLSA-N 0 1 282.387 3.653 20 0 CHADMN CCC/C=C/C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000729346739 1121779990 /nfs/dbraw/zinc/77/99/90/1121779990.db2.gz CXZGKQQBJDYUAR-SZTZYQKNSA-N 0 1 299.374 3.709 20 0 CHADMN C[C@@H](NCc1cn2ccccc2n1)c1ccc2c(c1)CCC2 ZINC001178393653 1121782364 /nfs/dbraw/zinc/78/23/64/1121782364.db2.gz SXOCEASVOBBASX-CQSZACIVSA-N 0 1 291.398 3.674 20 0 CHADMN FC(F)(F)OCCNCc1csc(Cl)c1Cl ZINC000336714477 1121790498 /nfs/dbraw/zinc/79/04/98/1121790498.db2.gz VCJMGCBWGVGJBK-UHFFFAOYSA-N 0 1 294.125 3.681 20 0 CHADMN COc1ccccc1[C@H]1CCCCN1C/C=C/Cl ZINC000730062099 1121791250 /nfs/dbraw/zinc/79/12/50/1121791250.db2.gz IUAKTXDMFOIRCH-OAUONFCTSA-N 0 1 265.784 3.975 20 0 CHADMN Cc1ncoc1CN1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC001119507576 1121793573 /nfs/dbraw/zinc/79/35/73/1121793573.db2.gz MVQYYKHCMWCBPQ-IAQYHMDHSA-N 0 1 274.339 3.705 20 0 CHADMN O=C(NCC1CCC=CCC1)c1ccc(Cl)c(O)c1 ZINC001178580915 1121795882 /nfs/dbraw/zinc/79/58/82/1121795882.db2.gz IAYJMXPKVTVTLN-UHFFFAOYSA-N 0 1 279.767 3.522 20 0 CHADMN CCC[C@H](C)[N@@H+](C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430013756 1121796766 /nfs/dbraw/zinc/79/67/66/1121796766.db2.gz RGHQDRNMTGKMNV-AWEZNQCLSA-N 0 1 299.418 3.773 20 0 CHADMN CCC[C@@H](NCc1scnc1C)c1cc(C)ccn1 ZINC000631583428 1129010271 /nfs/dbraw/zinc/01/02/71/1129010271.db2.gz XHFUEFQAHPEMPV-CYBMUJFWSA-N 0 1 275.421 3.786 20 0 CHADMN COc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1c(C)noc1C ZINC000631582913 1129010297 /nfs/dbraw/zinc/01/02/97/1129010297.db2.gz OGUPFTREDPCXES-QFYYESIMSA-N 0 1 286.375 3.638 20 0 CHADMN Cc1nc(C)c([C@@H](C)N(C)C[C@@H]2CC2(Cl)Cl)s1 ZINC000730378393 1121805620 /nfs/dbraw/zinc/80/56/20/1121805620.db2.gz NUYWNXZNLXTLLX-SCZZXKLOSA-N 0 1 293.263 3.947 20 0 CHADMN COc1nc2ccccc2cc1CNCc1cc(C)cs1 ZINC001178754213 1121812499 /nfs/dbraw/zinc/81/24/99/1121812499.db2.gz GNOSYUDYHSBOLT-UHFFFAOYSA-N 0 1 298.411 3.903 20 0 CHADMN Cc1ccncc1CNCc1c(Cl)ccc2cccnc21 ZINC001178774082 1121818511 /nfs/dbraw/zinc/81/85/11/1121818511.db2.gz FZADJHDVEAUIJF-UHFFFAOYSA-N 0 1 297.789 3.881 20 0 CHADMN CC1(C)CCC2(CCN(Cc3cc(F)cc(F)c3)CC2)O1 ZINC001204233187 1121829879 /nfs/dbraw/zinc/82/98/79/1121829879.db2.gz XHRKTPXNNVLLLX-UHFFFAOYSA-N 0 1 295.373 3.888 20 0 CHADMN CCn1ccnc1NCc1cccc(Cl)c1Cl ZINC000414295337 1121838787 /nfs/dbraw/zinc/83/87/87/1121838787.db2.gz FIUFXAMVAPMNAC-UHFFFAOYSA-N 0 1 270.163 3.822 20 0 CHADMN Cc1cc(F)ccc1CN[C@@H]1C[C@]1(F)c1ccccc1 ZINC001178998617 1121839576 /nfs/dbraw/zinc/83/95/76/1121839576.db2.gz PFBPAJDDXLUNAZ-SJORKVTESA-N 0 1 273.326 3.861 20 0 CHADMN COc1ccc2c(c1)CC[C@@H]2N[C@@H]1COc2ccc(C)cc21 ZINC000631600797 1129012867 /nfs/dbraw/zinc/01/28/67/1129012867.db2.gz SSRKVXYQHSBCKR-ZWKOTPCHSA-N 0 1 295.382 3.714 20 0 CHADMN CCn1ccnc1NCc1ccccc1OC1CCCC1 ZINC000414304270 1121841477 /nfs/dbraw/zinc/84/14/77/1121841477.db2.gz QQYOOPIIPNURDE-UHFFFAOYSA-N 0 1 285.391 3.837 20 0 CHADMN Oc1ccc(CN[C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000619772273 1129013297 /nfs/dbraw/zinc/01/32/97/1129013297.db2.gz AYQJARJSLLEYRM-MRXNPFEDSA-N 0 1 287.334 3.535 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SC[Si](C)(C)C)n2)o1 ZINC000731158128 1121852360 /nfs/dbraw/zinc/85/23/60/1121852360.db2.gz RTWXTBQPNCONIM-BQYQJAHWSA-N 0 1 293.468 3.846 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCC2)n[nH]1 ZINC001179158839 1121855898 /nfs/dbraw/zinc/85/58/98/1121855898.db2.gz CRHTYDZQUVXUEJ-SCOAYWHSSA-N 0 1 287.407 3.518 20 0 CHADMN CC1(C)CCC[C@H]1CCNCc1cnn(-c2ccccc2)n1 ZINC001179216023 1121860102 /nfs/dbraw/zinc/86/01/02/1121860102.db2.gz IBXRTDXMJXRHLN-HNNXBMFYSA-N 0 1 298.434 3.573 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1ccc(Cl)cn1)c1cnn(C)c1 ZINC001119708675 1121865116 /nfs/dbraw/zinc/86/51/16/1121865116.db2.gz AVEAQRZBXFLTQX-XHDPSFHLSA-N 0 1 292.814 3.516 20 0 CHADMN Cc1c([C@@H](C)N[C@@H](C)c2cncc(F)c2)cnn1C(C)C ZINC000345316149 1121867279 /nfs/dbraw/zinc/86/72/79/1121867279.db2.gz HPWJRPXRKNTARC-NWDGAFQWSA-N 0 1 290.386 3.718 20 0 CHADMN O=C(/C=C\Sc1ccccc1)Nc1ccc2cncn2c1 ZINC001179310597 1121870127 /nfs/dbraw/zinc/87/01/27/1121870127.db2.gz ZAGULYBZOAGGJA-HJWRWDBZSA-N 0 1 295.367 3.579 20 0 CHADMN C[C@H](C(=O)Nc1ccc2cncn2c1)[C@H](C)C(C)(C)C ZINC001179310554 1121870175 /nfs/dbraw/zinc/87/01/75/1121870175.db2.gz XFZQYIAUUXESCY-RYUDHWBXSA-N 0 1 273.380 3.591 20 0 CHADMN c1snnc1CN[C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC001179277404 1121870717 /nfs/dbraw/zinc/87/07/17/1121870717.db2.gz FBQBWZKTFGGICI-HUUCEWRRSA-N 0 1 287.432 3.744 20 0 CHADMN CC(C)Cc1ccccc1C(=O)Nc1ccc2cncn2c1 ZINC001179310219 1121871047 /nfs/dbraw/zinc/87/10/47/1121871047.db2.gz QXZHYYMPBLKFRB-UHFFFAOYSA-N 0 1 293.370 3.785 20 0 CHADMN Cc1cccc(CNCc2ccc3c(c2)CCC(C)(C)O3)n1 ZINC000731677729 1121879045 /nfs/dbraw/zinc/87/90/45/1121879045.db2.gz ZCJAOKWPNUNPCX-UHFFFAOYSA-N 0 1 296.414 3.783 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1cccc2c1[C@@H](C)CC2(C)C ZINC000150222051 1121881725 /nfs/dbraw/zinc/88/17/25/1121881725.db2.gz ZHKWYMOWCJCUHS-JTQLQIEISA-N 0 1 283.375 3.755 20 0 CHADMN CCCc1ccc(CNCc2cc(C)ccn2)s1 ZINC001179479143 1121884208 /nfs/dbraw/zinc/88/42/08/1121884208.db2.gz KIYIVALEQBKWIX-UHFFFAOYSA-N 0 1 260.406 3.694 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1cccc(OCC)c1 ZINC000731870633 1121890342 /nfs/dbraw/zinc/89/03/42/1121890342.db2.gz LLFDXFMOSDJGAS-UHFFFAOYSA-N 0 1 292.423 3.536 20 0 CHADMN COc1c(C)cnc(CN2Cc3ccccc3[C@@H](C)C2)c1C ZINC000731889022 1121890381 /nfs/dbraw/zinc/89/03/81/1121890381.db2.gz DHSNTFCSSYPLGM-AWEZNQCLSA-N 0 1 296.414 3.826 20 0 CHADMN CC[C@H]1COC(C)(C)CN1CCCCC(F)(F)F ZINC000649716950 1129016610 /nfs/dbraw/zinc/01/66/10/1129016610.db2.gz RCRDGNQMCDIEFO-NSHDSACASA-N 0 1 267.335 3.608 20 0 CHADMN CCc1noc(CN(C)C2CCC(C(C)(C)C)CC2)n1 ZINC000619888269 1129016662 /nfs/dbraw/zinc/01/66/62/1129016662.db2.gz GBWMVMQZALSXTC-UHFFFAOYSA-N 0 1 279.428 3.669 20 0 CHADMN CC1(C)C(C)(C)C1(C)NCc1cccnc1Br ZINC001179740993 1121902480 /nfs/dbraw/zinc/90/24/80/1121902480.db2.gz UQUMZOKWEKFTDZ-UHFFFAOYSA-N 0 1 297.240 3.758 20 0 CHADMN CCC[C@H](NCc1c(C2CC2)cnn1C)c1cc(C)ccn1 ZINC000631646792 1129017379 /nfs/dbraw/zinc/01/73/79/1129017379.db2.gz PRCYAIXQWLLSCP-INIZCTEOSA-N 0 1 298.434 3.632 20 0 CHADMN CC(C)(C)c1ccc(NCc2ccc3nc[nH]c3c2)cn1 ZINC001179740143 1121904474 /nfs/dbraw/zinc/90/44/74/1121904474.db2.gz KSEJTBALLKXWMZ-UHFFFAOYSA-N 0 1 280.375 3.868 20 0 CHADMN Cc1ccc(Cl)cc1CNCc1cnn(C)c1C1CC1 ZINC001179729218 1121904842 /nfs/dbraw/zinc/90/48/42/1121904842.db2.gz LLZBZJIWNTWNPK-UHFFFAOYSA-N 0 1 289.810 3.549 20 0 CHADMN CCC/C(C)=C\C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000732160105 1121908705 /nfs/dbraw/zinc/90/87/05/1121908705.db2.gz SSAZSALJKNCCMV-YFHOEESVSA-N 0 1 291.782 3.579 20 0 CHADMN C[C@@H]1CC(C)(C)C[C@@H]1NCc1nc(C(C)(C)C)co1 ZINC001179764393 1121909082 /nfs/dbraw/zinc/90/90/82/1121909082.db2.gz SYUPVOHKWUXNDK-NEPJUHHUSA-N 0 1 264.413 3.886 20 0 CHADMN CCc1cccc(NC(=O)CNCc2ccc(C)c(C)c2)c1 ZINC000732230947 1121911781 /nfs/dbraw/zinc/91/17/81/1121911781.db2.gz XURBOKPJLYTUFK-UHFFFAOYSA-N 0 1 296.414 3.594 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@H]2C[C@@H]2C2CCCC2)c1Cl ZINC001179817959 1121912710 /nfs/dbraw/zinc/91/27/10/1121912710.db2.gz SVWGMUHDLUEVAF-ZIAGYGMSSA-N 0 1 279.811 3.962 20 0 CHADMN Cc1ncc(CN[C@H](C)c2cc(F)ccc2N(C)C)s1 ZINC001179829417 1121913223 /nfs/dbraw/zinc/91/32/23/1121913223.db2.gz DIABXIHBZHFTMS-SNVBAGLBSA-N 0 1 293.411 3.507 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1Cc1cc(F)ncc1F ZINC001179850128 1121916172 /nfs/dbraw/zinc/91/61/72/1121916172.db2.gz QZUACYRQNCGSMN-FZMZJTMJSA-N 0 1 268.351 3.760 20 0 CHADMN C[C@@H](NCC(C)(C)F)c1cnc2ccsc2c1 ZINC000631658232 1129018411 /nfs/dbraw/zinc/01/84/11/1129018411.db2.gz JPPMEGKJUYUQQW-SECBINFHSA-N 0 1 252.358 3.695 20 0 CHADMN FC(F)Sc1nc2ccccc2n1CN1CCCCC1 ZINC000732408654 1121921444 /nfs/dbraw/zinc/92/14/44/1121921444.db2.gz WMOALQRKCHSAGJ-UHFFFAOYSA-N 0 1 297.374 3.794 20 0 CHADMN CCC(C)(C)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732544202 1121924529 /nfs/dbraw/zinc/92/45/29/1121924529.db2.gz PAHOAATWIVMZBZ-SECBINFHSA-N 0 1 293.798 3.830 20 0 CHADMN CC(C)[C@H]1CCN(Cc2ccc(F)c(F)c2F)C1 ZINC001179974187 1121932579 /nfs/dbraw/zinc/93/25/79/1121932579.db2.gz LXLUCZNJCVGERB-JTQLQIEISA-N 0 1 257.299 3.582 20 0 CHADMN CCC[C@@H](C)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000501012213 1121938908 /nfs/dbraw/zinc/93/89/08/1121938908.db2.gz VGWYEWSPICSIBQ-CYBMUJFWSA-N 0 1 287.382 3.558 20 0 CHADMN CCC(N)=NOCc1cc(Br)ccc1Cl ZINC000732981734 1121948692 /nfs/dbraw/zinc/94/86/92/1121948692.db2.gz HLOQRAXBULIIEM-UHFFFAOYSA-N 0 1 291.576 3.511 20 0 CHADMN Cc1nc(CN(C)CCC(C)(C)C)nc2ccccc12 ZINC000732982671 1121950523 /nfs/dbraw/zinc/95/05/23/1121950523.db2.gz SEIBJAGQMTXEES-UHFFFAOYSA-N 0 1 271.408 3.806 20 0 CHADMN CCC[C@H](Oc1nc(Cl)nc2[nH]ncc21)[C@H](C)CC ZINC001231046776 1121950861 /nfs/dbraw/zinc/95/08/61/1121950861.db2.gz DLNHZKJIRBLOGO-SCZZXKLOSA-N 0 1 282.775 3.600 20 0 CHADMN C[C@H](NC[C@]1(O)CCCC(C)(C)CC1)c1cscn1 ZINC000631679605 1129021196 /nfs/dbraw/zinc/02/11/96/1129021196.db2.gz KSTDXXOLJPMMGY-WFASDCNBSA-N 0 1 282.453 3.515 20 0 CHADMN CCC[C@@H]1CN(Cc2ccc3c(c2)CCCC3)CCO1 ZINC001180203416 1121963612 /nfs/dbraw/zinc/96/36/12/1121963612.db2.gz RJNRVSQWGLIIRG-GOSISDBHSA-N 0 1 273.420 3.566 20 0 CHADMN COc1nc(CN[C@@H](C)c2cccc(C)c2)ccc1C ZINC001180305024 1121971339 /nfs/dbraw/zinc/97/13/39/1121971339.db2.gz FGXYTZMWNBODBJ-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1cc(CN2CCN(c3ccc(C)cc3)CC2)c(C)o1 ZINC001180305333 1121972458 /nfs/dbraw/zinc/97/24/58/1121972458.db2.gz JERAJQYZZXUUOH-UHFFFAOYSA-N 0 1 284.403 3.527 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccnn2CCc2ccccc2)C1 ZINC001180375067 1121980704 /nfs/dbraw/zinc/98/07/04/1121980704.db2.gz FNHCNSMUVAKCFD-CALCHBBNSA-N 0 1 297.446 3.604 20 0 CHADMN CCc1ncc(CN2CCC[C@H]2/C=C/c2ccccc2)cn1 ZINC000414438486 1121981314 /nfs/dbraw/zinc/98/13/14/1121981314.db2.gz VHOXENLFWCEQSI-ZGKFYVQTSA-N 0 1 293.414 3.717 20 0 CHADMN CCN(CC)CC(=O)Nc1ccc(C2CC2)c2ccccc12 ZINC001180389574 1121983237 /nfs/dbraw/zinc/98/32/37/1121983237.db2.gz MKQQGTLCAMABLX-UHFFFAOYSA-N 0 1 296.414 3.998 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2ccccc2N(C)C)s1 ZINC000631707195 1129022927 /nfs/dbraw/zinc/02/29/27/1129022927.db2.gz FJHPWOYHWUMEJH-VXGBXAGGSA-N 0 1 289.448 3.929 20 0 CHADMN CCC[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cc(C)ccn1 ZINC000631753727 1129028027 /nfs/dbraw/zinc/02/80/27/1129028027.db2.gz RUTXQFQWZPXBLI-GRYCIOLGSA-N 0 1 272.314 3.772 20 0 CHADMN CCN(Cc1ccnn1CC1CCC1)Cc1ccccc1 ZINC001180430583 1121987976 /nfs/dbraw/zinc/98/79/76/1121987976.db2.gz OGEOFWDVHFOHOM-UHFFFAOYSA-N 0 1 283.419 3.705 20 0 CHADMN Cc1coc(CN(C)Cc2ccc(OC(F)F)cc2)c1 ZINC001180523359 1121994160 /nfs/dbraw/zinc/99/41/60/1121994160.db2.gz SZVBNGYZHNWISA-UHFFFAOYSA-N 0 1 281.302 3.821 20 0 CHADMN C[C@@H](NCc1cccc(F)c1F)c1ccccc1N(C)C ZINC000631725942 1129023946 /nfs/dbraw/zinc/02/39/46/1129023946.db2.gz LHRXBQFEEXDOJQ-GFCCVEGCSA-N 0 1 290.357 3.882 20 0 CHADMN Cc1ccc(CN[C@@H]2CSCCc3ccccc32)o1 ZINC000631728431 1129024095 /nfs/dbraw/zinc/02/40/95/1129024095.db2.gz PJJWWUFCRLGKHH-MRXNPFEDSA-N 0 1 273.401 3.708 20 0 CHADMN CCc1ncc(CN[C@@]2(c3cccc(C)c3)C[C@H]2CC)cn1 ZINC000414451904 1122000400 /nfs/dbraw/zinc/00/04/00/1122000400.db2.gz OJYRLOZEODGAFS-APWZRJJASA-N 0 1 295.430 3.762 20 0 CHADMN C[C@H](NCc1cccc(F)c1F)c1ccc2c(c1)COC2 ZINC000631726206 1129024328 /nfs/dbraw/zinc/02/43/28/1129024328.db2.gz OZEMBSLNYQFVSC-NSHDSACASA-N 0 1 289.325 3.846 20 0 CHADMN Cc1ccc(F)c(C(=O)Nc2cccc(Cl)c2O)c1F ZINC000501744112 1122004443 /nfs/dbraw/zinc/00/44/43/1122004443.db2.gz ITRPWNPYNDNAMR-UHFFFAOYSA-N 0 1 297.688 3.885 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1cccc2c1CCOC2 ZINC000631730014 1129025204 /nfs/dbraw/zinc/02/52/04/1129025204.db2.gz UXMCIQULOAYGOU-AWEZNQCLSA-N 0 1 296.414 3.568 20 0 CHADMN CC(C)=CCCNCc1c(Cl)ccnc1Cl ZINC001180848187 1122019703 /nfs/dbraw/zinc/01/97/03/1122019703.db2.gz GSVVYHRDISNUJA-UHFFFAOYSA-N 0 1 259.180 3.834 20 0 CHADMN Cc1c(Cl)cc(NC(=O)[C@H]2CC2(C)C)c(O)c1Cl ZINC001181299292 1122048254 /nfs/dbraw/zinc/04/82/54/1122048254.db2.gz SKJKLPMTCYPOHH-SSDOTTSWSA-N 0 1 288.174 3.992 20 0 CHADMN CC[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C1CCCCC1 ZINC000502206689 1122053387 /nfs/dbraw/zinc/05/33/87/1122053387.db2.gz LQNVIXDUVLNYFZ-UHFFFAOYSA-N 0 1 296.361 3.558 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631756354 1129028435 /nfs/dbraw/zinc/02/84/35/1129028435.db2.gz LBPHEVLHDDMCCY-YUSALJHKSA-N 0 1 273.298 3.687 20 0 CHADMN Cc1ccc(CN[C@@H](Cn2cccn2)c2ccccc2)cc1 ZINC000607366660 1122056957 /nfs/dbraw/zinc/05/69/57/1122056957.db2.gz WMDRHANNBBURNV-IBGZPJMESA-N 0 1 291.398 3.723 20 0 CHADMN C[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2)[C@@H](C)CO1 ZINC000502242512 1122062956 /nfs/dbraw/zinc/06/29/56/1122062956.db2.gz LPYSPHQJGVSXKA-JKSUJKDBSA-N 0 1 281.399 3.963 20 0 CHADMN C[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2)[C@H](C)CO1 ZINC000502242511 1122063156 /nfs/dbraw/zinc/06/31/56/1122063156.db2.gz LPYSPHQJGVSXKA-HZPDHXFCSA-N 0 1 281.399 3.963 20 0 CHADMN Cc1cccc2nc(NC(=O)Cc3cccc(F)c3C)[nH]c21 ZINC001181699541 1122074898 /nfs/dbraw/zinc/07/48/98/1122074898.db2.gz HPCCKOLCGWTRFI-UHFFFAOYSA-N 0 1 297.333 3.500 20 0 CHADMN CO[C@](C)([C@@H](C)NCc1ncc(C(C)(C)C)s1)C1CC1 ZINC000414502871 1122076446 /nfs/dbraw/zinc/07/64/46/1122076446.db2.gz PTTALFKQSAOVHF-BDJLRTHQSA-N 0 1 296.480 3.734 20 0 CHADMN CCCOc1ccc(CN2CC3(C2)C[C@@H](F)CS3)cc1 ZINC001204307447 1122079753 /nfs/dbraw/zinc/07/97/53/1122079753.db2.gz KDEYDXVTCNMEEK-CQSZACIVSA-N 0 1 295.423 3.505 20 0 CHADMN CC[C@@H](N[C@@H]1CCCn2nccc21)c1cc(C)ccc1OC ZINC000631809591 1129030618 /nfs/dbraw/zinc/03/06/18/1129030618.db2.gz LBNWTHFEBKXXGV-HZPDHXFCSA-N 0 1 299.418 3.776 20 0 CHADMN COCc1cc(CNCC2(C)CCC(C)(C)CC2)no1 ZINC000414509328 1122091124 /nfs/dbraw/zinc/09/11/24/1122091124.db2.gz ZNLZFBZQFOLJDP-UHFFFAOYSA-N 0 1 280.412 3.517 20 0 CHADMN Cc1cccc2nc(CNCc3cccc(C4CC4)c3)cn21 ZINC000421319643 1122093630 /nfs/dbraw/zinc/09/36/30/1122093630.db2.gz AROYBQQBOGGVEZ-UHFFFAOYSA-N 0 1 291.398 3.810 20 0 CHADMN CCN(Cc1cccc(C2CC2)c1)Cc1ccccn1 ZINC000421323958 1122094318 /nfs/dbraw/zinc/09/43/18/1122094318.db2.gz XBMMZGKCARYWEL-UHFFFAOYSA-N 0 1 266.388 3.981 20 0 CHADMN CCN1CCCC[C@H]1C(=O)Nc1cccc(C(C)(C)C)c1 ZINC001181998296 1122102377 /nfs/dbraw/zinc/10/23/77/1122102377.db2.gz NQGQQVNYUXKXGJ-INIZCTEOSA-N 0 1 288.435 3.797 20 0 CHADMN Cc1n[nH]cc1CN(C(C)C)[C@H](C)c1ccsc1 ZINC000421371167 1122104312 /nfs/dbraw/zinc/10/43/12/1122104312.db2.gz KIKRZMAXUMZLSK-GFCCVEGCSA-N 0 1 263.410 3.751 20 0 CHADMN Fc1ccc(CCNc2cc3c(cn2)CCCC3)c(F)c1 ZINC001182020049 1122106671 /nfs/dbraw/zinc/10/66/71/1122106671.db2.gz FQUYHZNDLQTEAF-UHFFFAOYSA-N 0 1 288.341 3.893 20 0 CHADMN Cc1ccc(CN2CC[C@@H]3[C@H](C2)C3(F)F)cc1Cl ZINC001182238426 1122125594 /nfs/dbraw/zinc/12/55/94/1122125594.db2.gz NQXDRKWVVOAICC-NEPJUHHUSA-N 0 1 271.738 3.735 20 0 CHADMN Cc1noc(C)c1CN1CC(c2ccccc2)(C(C)C)C1 ZINC000414530592 1122136676 /nfs/dbraw/zinc/13/66/76/1122136676.db2.gz DURXWGPDKBCODV-UHFFFAOYSA-N 0 1 284.403 3.701 20 0 CHADMN Cc1cc(C(=O)CN(C)[C@@H]2CC[C@@H](C)C2)c(C)n1C1CC1 ZINC000429591644 1122141839 /nfs/dbraw/zinc/14/18/39/1122141839.db2.gz OOCKGEJIXRGEPC-MLGOLLRUSA-N 0 1 288.435 3.743 20 0 CHADMN CCc1cnc(CN(CC)C2CC(C)(C)C2)s1 ZINC000414539181 1122145388 /nfs/dbraw/zinc/14/53/88/1122145388.db2.gz RSZCGJJZTGRLAG-UHFFFAOYSA-N 0 1 252.427 3.716 20 0 CHADMN C[C@@H]1CC(C)(C)CN1Cc1nc(-c2ccccc2)c[nH]1 ZINC001182399218 1122149128 /nfs/dbraw/zinc/14/91/28/1122149128.db2.gz ZYJXAGGRZDNMJW-CYBMUJFWSA-N 0 1 269.392 3.697 20 0 CHADMN CC[C@]1(C)CC[N@@H+](Cc2ccc(C)nc2Cl)C1 ZINC000688552862 1129034766 /nfs/dbraw/zinc/03/47/66/1129034766.db2.gz YCHSJDJGVXBWKD-CQSZACIVSA-N 0 1 252.789 3.665 20 0 CHADMN CC[C@]1(C)CCN(Cc2ccc(C)nc2Cl)C1 ZINC000688552862 1129034769 /nfs/dbraw/zinc/03/47/69/1129034769.db2.gz YCHSJDJGVXBWKD-CQSZACIVSA-N 0 1 252.789 3.665 20 0 CHADMN CC1(c2ccccc2)CC(NCc2nnc(C3CC3)s2)C1 ZINC000414561004 1122161569 /nfs/dbraw/zinc/16/15/69/1122161569.db2.gz YDLBXTWTHRAZOK-UHFFFAOYSA-N 0 1 299.443 3.625 20 0 CHADMN Cc1cc(F)cc([C@]2(F)CCN(C[C@@H]3CCSC3)C2)c1 ZINC000503043136 1122163854 /nfs/dbraw/zinc/16/38/54/1122163854.db2.gz CIIQHFXSPVAAFS-BBRMVZONSA-N 0 1 297.414 3.758 20 0 CHADMN CCCC[C@@H](C)C(=O)Nc1cccc(Cl)c1O ZINC000503116478 1122168658 /nfs/dbraw/zinc/16/86/58/1122168658.db2.gz AOILBQJKOQEWLB-SECBINFHSA-N 0 1 255.745 3.810 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263375235 1129035878 /nfs/dbraw/zinc/03/58/78/1129035878.db2.gz WMBRCPHXCGJGIX-QWQRMKEZSA-N 0 1 297.398 3.943 20 0 CHADMN CN(CCC(C)(C)C)Cc1ccc(F)c(F)c1F ZINC001182566149 1122175994 /nfs/dbraw/zinc/17/59/94/1122175994.db2.gz LUEKQZDGRFYDHW-UHFFFAOYSA-N 0 1 259.315 3.972 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc(F)c1F)c1cccc(CO)c1 ZINC000271830142 1122178158 /nfs/dbraw/zinc/17/81/58/1122178158.db2.gz AEKJDQPXTZSIJM-RYUDHWBXSA-N 0 1 291.341 3.869 20 0 CHADMN CCCC[C@H](NCc1ccno1)c1ccc(OC)cc1 ZINC000271831762 1122178168 /nfs/dbraw/zinc/17/81/68/1122178168.db2.gz PRXKCNCAGIYXCQ-INIZCTEOSA-N 0 1 274.364 3.704 20 0 CHADMN Nc1nc2ccccc2n1-c1c(F)ccc(Cl)c1F ZINC001250087097 1122185065 /nfs/dbraw/zinc/18/50/65/1122185065.db2.gz QJIXAGBUGNEAOO-UHFFFAOYSA-N 0 1 279.677 3.539 20 0 CHADMN C[C@H](C[N@H+]1C[C@H](C)OCC12CCC2)c1ccc(F)cc1 ZINC001182725650 1122185741 /nfs/dbraw/zinc/18/57/41/1122185741.db2.gz LRICZQMIORQAGL-KGLIPLIRSA-N 0 1 277.383 3.573 20 0 CHADMN Cc1coc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC001182763376 1122185933 /nfs/dbraw/zinc/18/59/33/1122185933.db2.gz DLKIOHKXULBTAI-MRXNPFEDSA-N 0 1 273.401 3.878 20 0 CHADMN Cc1coc(CN2CCS[C@@H](c3ccccc3)C2)c1 ZINC001182763376 1122185935 /nfs/dbraw/zinc/18/59/35/1122185935.db2.gz DLKIOHKXULBTAI-MRXNPFEDSA-N 0 1 273.401 3.878 20 0 CHADMN CCC[C@H](NCc1ccc(OC)cn1)c1ccccc1 ZINC000271973288 1122185925 /nfs/dbraw/zinc/18/59/25/1122185925.db2.gz CNVWXXSCTFWMCA-KRWDZBQOSA-N 0 1 270.376 3.721 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000263518451 1129037694 /nfs/dbraw/zinc/03/76/94/1129037694.db2.gz PUTQYWRCYSHYAL-HIFRSBDPSA-N 0 1 289.419 3.669 20 0 CHADMN COc1c(O)cccc1CN1CCC[C@@H]1c1ccc(C)o1 ZINC000272265676 1122196443 /nfs/dbraw/zinc/19/64/43/1122196443.db2.gz KSESKEOTWXXZDA-CQSZACIVSA-N 0 1 287.359 3.639 20 0 CHADMN COc1c(O)cccc1CN1CCC[C@H]1c1cccs1 ZINC000272316367 1122196805 /nfs/dbraw/zinc/19/68/05/1122196805.db2.gz SQNLXFVPZFJSPS-ZDUSSCGKSA-N 0 1 289.400 3.799 20 0 CHADMN COCC[C@H](NCc1ccc(C)c(F)c1)c1ccc(C)o1 ZINC000272311345 1122196954 /nfs/dbraw/zinc/19/69/54/1122196954.db2.gz OXKSNSJYTZZQEM-INIZCTEOSA-N 0 1 291.366 3.903 20 0 CHADMN C[C@H](CO)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000272320852 1122197816 /nfs/dbraw/zinc/19/78/16/1122197816.db2.gz UHPWXKOFWUUISW-BZNIZROVSA-N 0 1 293.769 3.539 20 0 CHADMN Cc1ccc(CCN2C[C@H](C)O[C@](C)(C(F)F)C2)cc1C ZINC001182971226 1122198767 /nfs/dbraw/zinc/19/87/67/1122198767.db2.gz YUQMJYPLKNZIIK-YOEHRIQHSA-N 0 1 297.389 3.590 20 0 CHADMN C[C@@H](CO)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000272358759 1122199343 /nfs/dbraw/zinc/19/93/43/1122199343.db2.gz FBGSGIUFSPOYNY-ZBEGNZNMSA-N 0 1 293.769 3.539 20 0 CHADMN Cc1ccoc1CNCc1ccccc1N1CCCCC1 ZINC000272386970 1122200311 /nfs/dbraw/zinc/20/03/11/1122200311.db2.gz ZBMDKSFAPYTYRJ-UHFFFAOYSA-N 0 1 284.403 3.868 20 0 CHADMN COCC[C@H](NCc1cccc2cccnc21)c1ccco1 ZINC000272418646 1122201170 /nfs/dbraw/zinc/20/11/70/1122201170.db2.gz DAIABXVICCCDDU-INIZCTEOSA-N 0 1 296.370 3.695 20 0 CHADMN COCC[C@@H](NCc1cccc2cc[nH]c21)c1ccco1 ZINC000272507092 1122204804 /nfs/dbraw/zinc/20/48/04/1122204804.db2.gz HHQRGLRAQARGDH-OAHLLOKOSA-N 0 1 284.359 3.628 20 0 CHADMN COC1CCN(Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000272525556 1122206001 /nfs/dbraw/zinc/20/60/01/1122206001.db2.gz IKJNMDWPLZNSAF-UHFFFAOYSA-N 0 1 287.359 3.683 20 0 CHADMN CC[C@@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1ccccc1F ZINC000272610224 1122207156 /nfs/dbraw/zinc/20/71/56/1122207156.db2.gz KFNPZBBASMGBJD-SMDDNHRTSA-N 0 1 290.386 3.869 20 0 CHADMN COCC[C@@H](N[C@@H](C)c1ccc(OC)cc1)c1ccco1 ZINC000272616146 1122207266 /nfs/dbraw/zinc/20/72/66/1122207266.db2.gz XEDIBXSEUYIOSP-XJKSGUPXSA-N 0 1 289.375 3.717 20 0 CHADMN COCC[C@H](NCc1ccc(SC)cc1)c1ccco1 ZINC000272595122 1122207603 /nfs/dbraw/zinc/20/76/03/1122207603.db2.gz RLQIUVCDIFHMAY-HNNXBMFYSA-N 0 1 291.416 3.869 20 0 CHADMN COCc1ccc(CN[C@H]2c3cc(C)ccc3C[C@@H]2C)o1 ZINC000272641296 1122209094 /nfs/dbraw/zinc/20/90/94/1122209094.db2.gz ZELBBYPOVNSNET-SCLBCKFNSA-N 0 1 285.387 3.758 20 0 CHADMN CSC[C@@H](C)C(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001183214766 1122211586 /nfs/dbraw/zinc/21/15/86/1122211586.db2.gz QZISNIRYVBQRMF-ZCFIWIBFSA-N 0 1 294.203 3.637 20 0 CHADMN Cc1cccc([C@@H]2CCN(Cc3ncc(C4CC4)o3)C2)c1 ZINC000273138442 1122221984 /nfs/dbraw/zinc/22/19/84/1122221984.db2.gz VDWBHZKWUVIOQH-MRXNPFEDSA-N 0 1 282.387 3.850 20 0 CHADMN COc1ccnc(CN[C@H](CC(C)C)c2ccccc2)c1 ZINC000273209753 1122224027 /nfs/dbraw/zinc/22/40/27/1122224027.db2.gz UATYTRYSXWATNU-GOSISDBHSA-N 0 1 284.403 3.967 20 0 CHADMN COc1ccnc(CN[C@@H](C)c2cc(C)sc2C)c1 ZINC000273380754 1122230194 /nfs/dbraw/zinc/23/01/94/1122230194.db2.gz YWTKFBADUNOXRS-NSHDSACASA-N 0 1 276.405 3.619 20 0 CHADMN CCN(CC)C(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000273545323 1122239257 /nfs/dbraw/zinc/23/92/57/1122239257.db2.gz UQGPJJSRUGFXES-UHFFFAOYSA-N 0 1 299.399 3.773 20 0 CHADMN Cc1noc(C)c1CN[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503377757 1122258713 /nfs/dbraw/zinc/25/87/13/1122258713.db2.gz ONBOVQATZALIOK-QFYYESIMSA-N 0 1 290.794 3.970 20 0 CHADMN Cc1ccccc1OC1CCN(Cc2ccco2)CC1 ZINC001203271027 1122258833 /nfs/dbraw/zinc/25/88/33/1122258833.db2.gz RPWFELBCIOWXRM-UHFFFAOYSA-N 0 1 271.360 3.631 20 0 CHADMN O=C(CCCC1CCCCC1)NCc1[nH]nc2ccccc21 ZINC001184224718 1122262645 /nfs/dbraw/zinc/26/26/45/1122262645.db2.gz KKDYZOAPUGPLSP-UHFFFAOYSA-N 0 1 299.418 3.930 20 0 CHADMN CC[C@H](C)[N@@H+](CCc1ccc(C(C)C)cc1)CC(=O)[O-] ZINC000414683694 1122266240 /nfs/dbraw/zinc/26/62/40/1122266240.db2.gz PPAKOIAVEQJXNU-AWEZNQCLSA-N 0 1 277.408 3.538 20 0 CHADMN COc1ccc(OC)c(CN(C)Cc2ccc(C)cc2)c1 ZINC000503600259 1122270893 /nfs/dbraw/zinc/27/08/93/1122270893.db2.gz ZUYMVZWDDKUOTJ-UHFFFAOYSA-N 0 1 285.387 3.644 20 0 CHADMN Fc1ccccc1[C@@H]1CCN(Cc2nc3ccccc3o2)C1 ZINC000503715400 1122273812 /nfs/dbraw/zinc/27/38/12/1122273812.db2.gz HLVOMYPKJQNFJC-CYBMUJFWSA-N 0 1 296.345 3.956 20 0 CHADMN CCC1(CC)CN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)C1 ZINC000504048227 1122285047 /nfs/dbraw/zinc/28/50/47/1122285047.db2.gz AFFKDFRTRYIMHL-UHFFFAOYSA-N 0 1 297.402 3.647 20 0 CHADMN Cc1cccc(C(C)(C)C)c1NC([O-])=[NH+]c1ccncc1 ZINC001184572349 1122285057 /nfs/dbraw/zinc/28/50/57/1122285057.db2.gz CSCOYRSWOGDRID-UHFFFAOYSA-N 0 1 283.375 3.753 20 0 CHADMN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NCc1ocnc1C ZINC000894283502 1122291155 /nfs/dbraw/zinc/29/11/55/1122291155.db2.gz JKKJGFJSOMRMBQ-XHDPSFHLSA-N 0 1 294.782 3.502 20 0 CHADMN COc1c(C)cc(CNCc2ccc(C#N)cc2F)cc1C ZINC000237133417 1122306790 /nfs/dbraw/zinc/30/67/90/1122306790.db2.gz UENCDSOGQDKNQG-UHFFFAOYSA-N 0 1 298.361 3.613 20 0 CHADMN CCN(C)Cc1nc2ccc(Br)cc2s1 ZINC000774828315 1122314360 /nfs/dbraw/zinc/31/43/60/1122314360.db2.gz WEWQHCFMUPTCIF-UHFFFAOYSA-N 0 1 285.210 3.511 20 0 CHADMN CO[C@]1(C)C[C@H](NCc2csc(C(C)C)n2)C1(C)C ZINC000072926411 1122314514 /nfs/dbraw/zinc/31/45/14/1122314514.db2.gz RBCVYKRBXUKAEQ-SWLSCSKDSA-N 0 1 282.453 3.560 20 0 CHADMN C[C@@H](NCCOC1CC1)c1ccc(Cl)cc1Cl ZINC000711705801 1122317323 /nfs/dbraw/zinc/31/73/23/1122317323.db2.gz VQSUEXMZFHKGIX-SECBINFHSA-N 0 1 274.191 3.823 20 0 CHADMN Brc1ccc2nc(CN3CCCC3)sc2c1 ZINC000774821799 1122319521 /nfs/dbraw/zinc/31/95/21/1122319521.db2.gz UOPYYYKVPZLEAJ-UHFFFAOYSA-N 0 1 297.221 3.655 20 0 CHADMN CC(C)Cc1ccccc1NS(=O)(=O)c1ccsc1 ZINC001185390975 1122336375 /nfs/dbraw/zinc/33/63/75/1122336375.db2.gz RPBOOKJKAMFRFZ-UHFFFAOYSA-N 0 1 295.429 3.747 20 0 CHADMN C[C@H](NC[C@@H]1CC1(Cl)Cl)c1c(F)cccc1F ZINC000774870223 1122338556 /nfs/dbraw/zinc/33/85/56/1122338556.db2.gz XSBXASYWPGCZBU-YUMQZZPRSA-N 0 1 280.145 3.809 20 0 CHADMN Cc1cc(S(=O)(=O)Nc2ccsc2)ccc1Cl ZINC001185494841 1122343846 /nfs/dbraw/zinc/34/38/46/1122343846.db2.gz QXCIZMCUFYMKHO-UHFFFAOYSA-N 0 1 287.793 3.511 20 0 CHADMN CCCCCCN[C@H](C)c1nc(C(C)(C)C)no1 ZINC000193118763 1129054175 /nfs/dbraw/zinc/05/41/75/1129054175.db2.gz XLDFXQBBMFSXIZ-LLVKDONJSA-N 0 1 253.390 3.598 20 0 CHADMN COc1c(C)cc(Br)cc1CN1CCC[C@H]1C ZINC001250210265 1122359047 /nfs/dbraw/zinc/35/90/47/1122359047.db2.gz STYSSMNKEUNDHN-LLVKDONJSA-N 0 1 298.224 3.750 20 0 CHADMN CC(C)c1ncc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)[nH]1 ZINC000074216275 1122362192 /nfs/dbraw/zinc/36/21/92/1122362192.db2.gz LROBNGHTWSJNQK-GZBFAFLISA-N 0 1 289.423 3.574 20 0 CHADMN CCCc1nsc(Nc2cnn(-c3ccccc3)c2C)n1 ZINC001185858013 1122363790 /nfs/dbraw/zinc/36/37/90/1122363790.db2.gz YQAKAAQWCSSMMM-UHFFFAOYSA-N 0 1 299.403 3.728 20 0 CHADMN O=C(Nc1c(Cl)ccc(O)c1Cl)NC1CCCC1 ZINC001185901892 1122364696 /nfs/dbraw/zinc/36/46/96/1122364696.db2.gz PWFLZMMVBQOLIE-UHFFFAOYSA-N 0 1 289.162 3.763 20 0 CHADMN CC(C)(C)[C@H]1CCN(c2ccncc2C(F)(F)F)C1 ZINC001185913710 1122367277 /nfs/dbraw/zinc/36/72/77/1122367277.db2.gz BCXSHDGISHFZBE-JTQLQIEISA-N 0 1 272.314 3.973 20 0 CHADMN CC1(C)CCC(CC(=O)Nc2ccc3[nH]nnc3c2)CC1 ZINC001185975654 1122369941 /nfs/dbraw/zinc/36/99/41/1122369941.db2.gz WJOZBQSIUIORLN-UHFFFAOYSA-N 0 1 286.379 3.503 20 0 CHADMN CCSCCO[C@H](C(=O)c1ccco1)c1ccco1 ZINC001205342023 1122370113 /nfs/dbraw/zinc/37/01/13/1122370113.db2.gz FEXKBYXRWNJMTE-AWEZNQCLSA-N 0 1 280.345 3.566 20 0 CHADMN CCSCCOC(C(=O)c1ccco1)c1ccco1 ZINC001205342023 1122370124 /nfs/dbraw/zinc/37/01/24/1122370124.db2.gz FEXKBYXRWNJMTE-AWEZNQCLSA-N 0 1 280.345 3.566 20 0 CHADMN Cc1cccnc1CN[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000154619896 1122376393 /nfs/dbraw/zinc/37/63/93/1122376393.db2.gz DQCRELPEEIXKLE-ACJLOTCBSA-N 0 1 284.378 3.942 20 0 CHADMN C[C@H](c1nc(-c2ccccc2)no1)N(C)CC(C)(C)C ZINC000514100170 1122376639 /nfs/dbraw/zinc/37/66/39/1122376639.db2.gz QQIIGXQLWLCRRY-GFCCVEGCSA-N 0 1 273.380 3.776 20 0 CHADMN CC(C)n1ncnc1C[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000434544705 1122378666 /nfs/dbraw/zinc/37/86/66/1122378666.db2.gz OIANHLOYAHNZHS-CQSZACIVSA-N 0 1 278.444 3.507 20 0 CHADMN CC(C)n1ncnc1CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000434544705 1122378669 /nfs/dbraw/zinc/37/86/69/1122378669.db2.gz OIANHLOYAHNZHS-CQSZACIVSA-N 0 1 278.444 3.507 20 0 CHADMN COc1cc(CNCc2c(C)cccc2F)ccc1C ZINC000775004038 1122383873 /nfs/dbraw/zinc/38/38/73/1122383873.db2.gz ATCUJMJLVSUOFY-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN CCCCn1ncc(Nc2nc(CC)ns2)c1C(C)C ZINC001186334775 1122387748 /nfs/dbraw/zinc/38/77/48/1122387748.db2.gz HWKNJFMKHCDMLU-UHFFFAOYSA-N 0 1 293.440 3.964 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cn3ccccc3n2)cc1 ZINC000514238108 1122392338 /nfs/dbraw/zinc/39/23/38/1122392338.db2.gz BIDMVJOKHKUCTP-SFHVURJKSA-N 0 1 291.398 3.980 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@]3(C)[C@H](C2)C3(F)F)c1 ZINC000430090983 1122399558 /nfs/dbraw/zinc/39/95/58/1122399558.db2.gz UWACQAXFTJFUGE-UONOGXRCSA-N 0 1 269.310 3.611 20 0 CHADMN CC(C)[C@@H]1N(Cc2ccn(-c3ccccc3)n2)CC12CCC2 ZINC000430085486 1122400248 /nfs/dbraw/zinc/40/02/48/1122400248.db2.gz AFVQVEZVEKGKDM-SFHVURJKSA-N 0 1 295.430 3.883 20 0 CHADMN O=c1cc(Nc2cccnc2-c2ccccc2)nc(Cl)[nH]1 ZINC001203649245 1122413896 /nfs/dbraw/zinc/41/38/96/1122413896.db2.gz JBWBBGUQMOPXPI-UHFFFAOYSA-N 0 1 298.733 3.641 20 0 CHADMN CCC(C)(C)c1ccc(CSc2cn[nH]n2)cc1 ZINC000505558289 1122419934 /nfs/dbraw/zinc/41/99/34/1122419934.db2.gz CABJTZHILFKLDS-UHFFFAOYSA-N 0 1 261.394 3.785 20 0 CHADMN CN(C)c1ccc(CNCc2sccc2Cl)cc1F ZINC000193069959 1129053351 /nfs/dbraw/zinc/05/33/51/1129053351.db2.gz WBWHPFIYKSIQEW-UHFFFAOYSA-N 0 1 298.814 3.896 20 0 CHADMN COc1ccc(CN2Cc3cccc(C)c3C2)cc1 ZINC000142290599 1122421728 /nfs/dbraw/zinc/42/17/28/1122421728.db2.gz VVGOSRGUPQAMED-UHFFFAOYSA-N 0 1 253.345 3.519 20 0 CHADMN COc1ccsc1CN1CC[C@H]1c1ccccc1 ZINC000434981539 1122425215 /nfs/dbraw/zinc/42/52/15/1122425215.db2.gz GLVLXSMGWCZMLA-ZDUSSCGKSA-N 0 1 259.374 3.704 20 0 CHADMN Cc1ccccc1CN(C)Cc1cc(F)cc(F)c1 ZINC000505587377 1122426415 /nfs/dbraw/zinc/42/64/15/1122426415.db2.gz ZOFKJXHNIGWONL-UHFFFAOYSA-N 0 1 261.315 3.905 20 0 CHADMN CCCN(CC)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000434986672 1122426588 /nfs/dbraw/zinc/42/65/88/1122426588.db2.gz IOVJZGMHWLBMEI-UHFFFAOYSA-N 0 1 299.340 3.824 20 0 CHADMN CCOc1ccc(C[N@@H+](C)Cc2cccs2)cc1OC ZINC000505591040 1122429187 /nfs/dbraw/zinc/42/91/87/1122429187.db2.gz QGSGSAWNNXFVHC-UHFFFAOYSA-N 0 1 291.416 3.787 20 0 CHADMN CCOc1ccc(CN(C)Cc2cccs2)cc1OC ZINC000505591040 1122429191 /nfs/dbraw/zinc/42/91/91/1122429191.db2.gz QGSGSAWNNXFVHC-UHFFFAOYSA-N 0 1 291.416 3.787 20 0 CHADMN Cc1nc2sccn2c1CN(C)Cc1ccccc1C ZINC000505597949 1122432346 /nfs/dbraw/zinc/43/23/46/1122432346.db2.gz TZZHMMRAPRVPNN-UHFFFAOYSA-N 0 1 285.416 3.645 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2c(C)nc3sccn23)cc1 ZINC000505597129 1122432485 /nfs/dbraw/zinc/43/24/85/1122432485.db2.gz PPGYAHAUPWVAJK-UHFFFAOYSA-N 0 1 299.443 3.899 20 0 CHADMN CCc1ccc(CN(C)Cc2c(C)nc3sccn23)cc1 ZINC000505597129 1122432490 /nfs/dbraw/zinc/43/24/90/1122432490.db2.gz PPGYAHAUPWVAJK-UHFFFAOYSA-N 0 1 299.443 3.899 20 0 CHADMN CN(Cc1ncc(C(F)(F)F)s1)C(C1CC1)C1CC1 ZINC000435124254 1122435677 /nfs/dbraw/zinc/43/56/77/1122435677.db2.gz NJAVGCRBEXCNDZ-UHFFFAOYSA-N 0 1 290.354 3.782 20 0 CHADMN CN(Cc1cccs1)Cc1c[nH]nc1-c1ccccc1 ZINC000505613211 1122435940 /nfs/dbraw/zinc/43/59/40/1122435940.db2.gz OOOVVRQMKWFIGQ-UHFFFAOYSA-N 0 1 283.400 3.770 20 0 CHADMN CCC(CC)(CC)SC[C@H](C)CN1CCOCC1 ZINC001189127883 1122489922 /nfs/dbraw/zinc/48/99/22/1122489922.db2.gz OVDRJTDXCXTGBF-CQSZACIVSA-N 0 1 273.486 3.657 20 0 CHADMN Cc1ccoc1CN(C)Cc1coc2ccccc12 ZINC000430132527 1122439384 /nfs/dbraw/zinc/43/93/84/1122439384.db2.gz ZZRNAQOQFQBNAK-UHFFFAOYSA-N 0 1 255.317 3.966 20 0 CHADMN CC(C)c1ncc(CN2CCOC[C@H](C3CCC3)C2)s1 ZINC000430123113 1122440301 /nfs/dbraw/zinc/44/03/01/1122440301.db2.gz OYOCQXVGHRHDQJ-CQSZACIVSA-N 0 1 294.464 3.515 20 0 CHADMN Cc1c[nH]cc1C(=O)Nc1cc(Cl)c(C)c(Cl)c1O ZINC001187800228 1122443248 /nfs/dbraw/zinc/44/32/48/1122443248.db2.gz DHJAUSBNIOVZNP-UHFFFAOYSA-N 0 1 299.157 3.896 20 0 CHADMN CC(C)c1ccc([C@@H](C)NC(=O)c2n[nH]cc2Cl)cc1 ZINC001187849776 1122444271 /nfs/dbraw/zinc/44/42/71/1122444271.db2.gz XUPBQZYKQPVAHY-SNVBAGLBSA-N 0 1 291.782 3.678 20 0 CHADMN CCn1nccc1CN(C)[C@H](c1ccc(F)cc1)C(C)C ZINC000435272024 1122451241 /nfs/dbraw/zinc/45/12/41/1122451241.db2.gz PWSAPLOTQHVUSR-KRWDZBQOSA-N 0 1 289.398 3.871 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000425339096 1122457855 /nfs/dbraw/zinc/45/78/55/1122457855.db2.gz RADTUNJLACEYBX-ZIAGYGMSSA-N 0 1 295.373 3.522 20 0 CHADMN CCCCN1C(=O)N=NC1S[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001188155798 1122459105 /nfs/dbraw/zinc/45/91/05/1122459105.db2.gz VBJZRTYIGZEERC-GDNZZTSVSA-N 0 1 283.441 3.701 20 0 CHADMN CCCCN1C(=O)N=NC1SCCC(C)(C)C1CC1 ZINC001188155278 1122459292 /nfs/dbraw/zinc/45/92/92/1122459292.db2.gz SOYSGAHYDJBERC-UHFFFAOYSA-N 0 1 283.441 3.702 20 0 CHADMN C[N@H+](C/C=C\c1ccccc1)CCOc1ccc(F)cc1 ZINC000514855131 1122459797 /nfs/dbraw/zinc/45/97/97/1122459797.db2.gz WWEDKBPYIOUKAP-YVMONPNESA-N 0 1 285.362 3.850 20 0 CHADMN CSCc1cnc(CN(C)[C@H]2CC[C@@H](C)C2)s1 ZINC000353200124 1122460945 /nfs/dbraw/zinc/46/09/45/1122460945.db2.gz AZGYUBQPJZZTJB-MNOVXSKESA-N 0 1 270.467 3.627 20 0 CHADMN COc1cc(Cl)c(-c2csc([C@H](C)N)n2)cc1OC ZINC000435440394 1122466736 /nfs/dbraw/zinc/46/67/36/1122466736.db2.gz WIDYWKWINOWIPX-ZETCQYMHSA-N 0 1 298.795 3.500 20 0 CHADMN C[C@H](N[C@H]1CCC[C@@H]1C1CC1)c1nc(C(C)(C)C)no1 ZINC000515027734 1122470224 /nfs/dbraw/zinc/47/02/24/1122470224.db2.gz BPUDIHIFFYWDNB-UHTWSYAYSA-N 0 1 277.412 3.596 20 0 CHADMN FC(F)(F)c1ccccc1CN1CC[C@H]2CCCO[C@@H]2C1 ZINC001203687215 1122473312 /nfs/dbraw/zinc/47/33/12/1122473312.db2.gz KWLIBZVOPPIXQB-IUODEOHRSA-N 0 1 299.336 3.706 20 0 CHADMN Cn1ccnc1[C@H]1CCCN(Cc2cscc2Cl)C1 ZINC000775206137 1122480867 /nfs/dbraw/zinc/48/08/67/1122480867.db2.gz WEEHXIMVVYEFOD-NSHDSACASA-N 0 1 295.839 3.515 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cc1F ZINC000435769316 1122488628 /nfs/dbraw/zinc/48/86/28/1122488628.db2.gz VPDJBIYDMLPNEG-MRXNPFEDSA-N 0 1 258.340 3.799 20 0 CHADMN C[C@]1(CN2CCc3sccc3C2)CC1(Cl)Cl ZINC000827342015 1122488963 /nfs/dbraw/zinc/48/89/63/1122488963.db2.gz CFWLPFPWUSDDTI-LLVKDONJSA-N 0 1 276.232 3.690 20 0 CHADMN C[C@@H]1CN(CCSCc2ccccc2Cl)C[C@@H](C)O1 ZINC001189119855 1122489978 /nfs/dbraw/zinc/48/99/78/1122489978.db2.gz DMCAZQYUJFMCSX-CHWSQXEVSA-N 0 1 299.867 3.682 20 0 CHADMN OCCC[C@@H]1CCCN1Cc1csc(C(F)(F)F)c1 ZINC000628161313 1122491918 /nfs/dbraw/zinc/49/19/18/1122491918.db2.gz YURZSVSRQCYYGS-NSHDSACASA-N 0 1 293.354 3.504 20 0 CHADMN COc1ccc(CNc2ccc3c(n2)CCCC3)cc1 ZINC000712290035 1122502136 /nfs/dbraw/zinc/50/21/36/1122502136.db2.gz KSNLILNULVTDFG-UHFFFAOYSA-N 0 1 268.360 3.581 20 0 CHADMN CC(C)[C@H](C(=O)NOC1CCCC1)c1ccc(F)cc1 ZINC000775276768 1122507714 /nfs/dbraw/zinc/50/77/14/1122507714.db2.gz VGKZXYKJUCIEEJ-HNNXBMFYSA-N 0 1 279.355 3.556 20 0 CHADMN C[C@H](NC[C@H]1CCC2(CCCCC2)O1)c1cscn1 ZINC000515539755 1122508171 /nfs/dbraw/zinc/50/81/71/1122508171.db2.gz MEWISSCKODWFJX-QWHCGFSZSA-N 0 1 280.437 3.676 20 0 CHADMN CCc1cc([NH+]=C([O-])Nc2c(CC)cccc2CC)ccn1 ZINC001189749722 1122511848 /nfs/dbraw/zinc/51/18/48/1122511848.db2.gz ZOCOAHJWTXXYQF-UHFFFAOYSA-N 0 1 297.402 3.835 20 0 CHADMN CC(C)[N@H+](Cc1cccnc1Cl)CC1CCC1 ZINC000193200619 1129059553 /nfs/dbraw/zinc/05/95/53/1129059553.db2.gz RXUVMWITFJRODD-UHFFFAOYSA-N 0 1 252.789 3.746 20 0 CHADMN C[C@H](N[C@@H](C)[C@H]1CC2CCC1CC2)c1nc(C2CC2)no1 ZINC000515655882 1122520168 /nfs/dbraw/zinc/52/01/68/1122520168.db2.gz UKKDCLZFHYKJIJ-KBJMEZGRSA-N 0 1 289.423 3.812 20 0 CHADMN COc1cc(Cl)ccc1NCc1ccc2nc[nH]c2c1 ZINC000775345373 1122524616 /nfs/dbraw/zinc/52/46/16/1122524616.db2.gz MTXCCIVBUXXIKT-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN CC(C)c1ccccc1C(=O)NCc1[nH]nc2ccccc21 ZINC001190273500 1122531535 /nfs/dbraw/zinc/53/15/35/1122531535.db2.gz YRRYWKHXVHHGRF-UHFFFAOYSA-N 0 1 293.370 3.616 20 0 CHADMN COc1cc(C)ccc1CNCc1cc2c(cccc2F)[nH]1 ZINC000436287805 1122533053 /nfs/dbraw/zinc/53/30/53/1122533053.db2.gz TXYHOAZRLLLMGU-UHFFFAOYSA-N 0 1 298.361 3.914 20 0 CHADMN Cc1ccc(CN(C[C@@H]2CC[C@H](C3CC3)O2)C2CC2)o1 ZINC001190375904 1122536156 /nfs/dbraw/zinc/53/61/56/1122536156.db2.gz VQRMIHBZQMKGEB-DLBZAZTESA-N 0 1 275.392 3.510 20 0 CHADMN C[C@@H](NCCF)c1ccccc1OCc1ccccc1 ZINC000436315398 1122537636 /nfs/dbraw/zinc/53/76/36/1122537636.db2.gz PFLXQMHWKMLBGV-CQSZACIVSA-N 0 1 273.351 3.886 20 0 CHADMN CCN(Cc1nc(C(C)(C)C)co1)[C@@H](C)C(C)C ZINC001190616417 1122545424 /nfs/dbraw/zinc/54/54/24/1122545424.db2.gz OBJICAFCJDXNRU-LBPRGKRZSA-N 0 1 252.402 3.839 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)cn1 ZINC000505822923 1122550829 /nfs/dbraw/zinc/55/08/29/1122550829.db2.gz BAQLNVSOFWBLQF-CKDFRHGISA-N 0 1 294.398 3.768 20 0 CHADMN COc1ccc(CN2CCC[C@H]2/C=C/c2ccccc2)cn1 ZINC000505822923 1122550831 /nfs/dbraw/zinc/55/08/31/1122550831.db2.gz BAQLNVSOFWBLQF-CKDFRHGISA-N 0 1 294.398 3.768 20 0 CHADMN COc1ncc(CN(C)Cc2ccoc2C)c2ccccc21 ZINC001190673954 1122551894 /nfs/dbraw/zinc/55/18/94/1122551894.db2.gz NNPDOZFPCTVWOY-UHFFFAOYSA-N 0 1 296.370 3.777 20 0 CHADMN O[C@H]1CCCC[C@@H]1CSc1nc2ccc(Cl)cc2[nH]1 ZINC000436475859 1122555232 /nfs/dbraw/zinc/55/52/32/1122555232.db2.gz WWXBSFJFESRTMJ-RNCFNFMXSA-N 0 1 296.823 3.860 20 0 CHADMN CSCc1ccc(NC(=O)c2ccc(F)cc2O)cc1 ZINC000436568393 1122562406 /nfs/dbraw/zinc/56/24/06/1122562406.db2.gz SQWIHEMKKUYHTK-UHFFFAOYSA-N 0 1 291.347 3.647 20 0 CHADMN C[C@H]1C[C@@H]1CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000516119036 1122570633 /nfs/dbraw/zinc/57/06/33/1122570633.db2.gz AKEIEBOEGNKZDP-WDEREUQCSA-N 0 1 295.342 3.808 20 0 CHADMN CCc1ccc2nc(-c3ccc(O)c(OC)c3)[nH]c2c1 ZINC000436740352 1122576563 /nfs/dbraw/zinc/57/65/63/1122576563.db2.gz QNPHCNICBSTITD-UHFFFAOYSA-N 0 1 268.316 3.507 20 0 CHADMN C/C=C/c1ccc(NC(=O)c2c(O)cccc2F)cc1 ZINC000436744489 1122576844 /nfs/dbraw/zinc/57/68/44/1122576844.db2.gz MTAUHTAXPBEFTG-DUXPYHPUSA-N 0 1 271.291 3.817 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2ccn(CCc3ccccc3)n2)C1 ZINC001191194488 1122581281 /nfs/dbraw/zinc/58/12/81/1122581281.db2.gz SQXAXQOVHDRVAN-SJORKVTESA-N 0 1 297.446 3.746 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)C(=O)c1ccc(F)cc1O ZINC000436816801 1122584036 /nfs/dbraw/zinc/58/40/36/1122584036.db2.gz GEEYINOYPMXPFY-RAXLEYEMSA-N 0 1 299.345 3.707 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2csc(NCC)n2)C1 ZINC001191259425 1122585721 /nfs/dbraw/zinc/58/57/21/1122585721.db2.gz VUKAJHJNPGXCKV-HNNXBMFYSA-N 0 1 281.469 3.977 20 0 CHADMN C[C@H]1CCc2nc(C[N@H+]3CCCC[C@@H]3C)sc2C1 ZINC000505893288 1122591361 /nfs/dbraw/zinc/59/13/61/1122591361.db2.gz CKWMQBBBCZDVAV-RYUDHWBXSA-N 0 1 264.438 3.642 20 0 CHADMN C[C@H]1CCc2nc(CN3CCCC[C@@H]3C)sc2C1 ZINC000505893288 1122591362 /nfs/dbraw/zinc/59/13/62/1122591362.db2.gz CKWMQBBBCZDVAV-RYUDHWBXSA-N 0 1 264.438 3.642 20 0 CHADMN CCc1cnc(CN(C)C[C@H]2CCCC[C@@H]2C)s1 ZINC001191358548 1122593402 /nfs/dbraw/zinc/59/34/02/1122593402.db2.gz MQSYVFRZJXOTNA-QWHCGFSZSA-N 0 1 266.454 3.964 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001191331149 1122594428 /nfs/dbraw/zinc/59/44/28/1122594428.db2.gz XNTAWBUJRYHQHB-KCPJHIHWSA-N 0 1 299.336 3.543 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1nnc(C2CC2)o1 ZINC000516394930 1122595805 /nfs/dbraw/zinc/59/58/05/1122595805.db2.gz QSTQYULELOTONL-DVOMOZLQSA-N 0 1 297.402 3.714 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1Cc1nnc(C2CC2)o1 ZINC000516394930 1122595808 /nfs/dbraw/zinc/59/58/08/1122595808.db2.gz QSTQYULELOTONL-DVOMOZLQSA-N 0 1 297.402 3.714 20 0 CHADMN CCc1cnc(CN(C)CC[C@@H]2C[C@H]2C2CC2)s1 ZINC001191359559 1122596345 /nfs/dbraw/zinc/59/63/45/1122596345.db2.gz WGMLUZQOHBREEO-OCCSQVGLSA-N 0 1 264.438 3.574 20 0 CHADMN Fc1ccccc1OCCNC1(c2ccccc2F)CC1 ZINC000775452502 1122597253 /nfs/dbraw/zinc/59/72/53/1122597253.db2.gz WJRAYFVSZOWYCC-UHFFFAOYSA-N 0 1 289.325 3.623 20 0 CHADMN Cc1cccc([C@@H]2CCCN2C(=O)c2c(O)cccc2F)c1 ZINC000436941982 1122598205 /nfs/dbraw/zinc/59/82/05/1122598205.db2.gz FTNRSPFAXINVKT-HNNXBMFYSA-N 0 1 299.345 3.817 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1C(=O)c1c(O)cccc1F ZINC000436982326 1122600193 /nfs/dbraw/zinc/60/01/93/1122600193.db2.gz TZLJPYWWGDXPSU-AAEUAGOBSA-N 0 1 279.355 3.572 20 0 CHADMN CCN(Cc1ccc2ccccc2c1)Cc1cnc(C)cn1 ZINC000505913940 1122600246 /nfs/dbraw/zinc/60/02/46/1122600246.db2.gz YAFXZEUZFUYLJA-UHFFFAOYSA-N 0 1 291.398 3.960 20 0 CHADMN CCCCC[C@H]1CCCCN1C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000620566625 1129065373 /nfs/dbraw/zinc/06/53/73/1129065373.db2.gz LZVZWYDDYLTHRK-ZBFHGGJFSA-N 0 1 291.439 3.550 20 0 CHADMN CC(C)c1ccc(CNCc2ccc3c(n2)CCC3)cc1 ZINC000516547772 1122609850 /nfs/dbraw/zinc/60/98/50/1122609850.db2.gz WJTQWGLDYDLNLZ-UHFFFAOYSA-N 0 1 280.415 3.984 20 0 CHADMN CC[N@@H+](Cc1ccc(N(C)c2ccccc2)nc1)C1CC1 ZINC000437128781 1122616952 /nfs/dbraw/zinc/61/69/52/1122616952.db2.gz UDJYXYDUXBAAIZ-UHFFFAOYSA-N 0 1 281.403 3.834 20 0 CHADMN FCCNCc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000437251062 1122622626 /nfs/dbraw/zinc/62/26/26/1122622626.db2.gz LYIOLXOTRUNCBR-UHFFFAOYSA-N 0 1 281.277 3.816 20 0 CHADMN CCc1nc(-c2nc3cc(F)cc(Cl)c3[nH]2)c(C)[nH]1 ZINC001250445507 1122626991 /nfs/dbraw/zinc/62/69/91/1122626991.db2.gz JGUYTRDKPOCQFV-UHFFFAOYSA-N 0 1 278.718 3.616 20 0 CHADMN Cc1nc(C2(NCC3CCC4(CC4)CC3)CCCC2)no1 ZINC001192107381 1122628703 /nfs/dbraw/zinc/62/87/03/1122628703.db2.gz GYNSQASSKFNMKT-UHFFFAOYSA-N 0 1 289.423 3.707 20 0 CHADMN CC(C)OC(=O)[C@H](C)N(C)CCCC1CCCCC1 ZINC001192198563 1122632553 /nfs/dbraw/zinc/63/25/53/1122632553.db2.gz LCDQIYNGWKXZBC-AWEZNQCLSA-N 0 1 269.429 3.619 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1nc(C2CCC2)no1 ZINC001192213214 1122633479 /nfs/dbraw/zinc/63/34/79/1122633479.db2.gz DKWIYLPDRCHXSJ-CQSZACIVSA-N 0 1 277.412 3.882 20 0 CHADMN C[C@H](CN1CCn2cccc2[C@@H]1C)c1ccc(F)cc1 ZINC000437582048 1122643414 /nfs/dbraw/zinc/64/34/14/1122643414.db2.gz QMTOOKRIOJTSFX-KGLIPLIRSA-N 0 1 272.367 3.808 20 0 CHADMN Cc1cc(N(C)CC2=CCSC2)c2cc(F)ccc2n1 ZINC000664641731 1122644526 /nfs/dbraw/zinc/64/45/26/1122644526.db2.gz VHAUWBQNZQLPHN-UHFFFAOYSA-N 0 1 288.391 3.792 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@@H](Sc3ccncc3)C2)o1 ZINC001203294171 1122648877 /nfs/dbraw/zinc/64/88/77/1122648877.db2.gz UWFPHQBMKVEFQY-MRXNPFEDSA-N 0 1 288.416 3.740 20 0 CHADMN Cc1ccc(CN(C)C[C@H](C)c2nccs2)c(Cl)n1 ZINC000838930149 1122650015 /nfs/dbraw/zinc/65/00/15/1122650015.db2.gz RXWWZSZXZUHLSC-JTQLQIEISA-N 0 1 295.839 3.735 20 0 CHADMN CN(CCC(F)(F)F)Cc1c[nH]nc1-c1ccsc1 ZINC000437688161 1122650274 /nfs/dbraw/zinc/65/02/74/1122650274.db2.gz QASOUPOWTXRNBV-UHFFFAOYSA-N 0 1 289.326 3.522 20 0 CHADMN CC(C)=CCN1CCn2cccc2[C@H]1c1ccccc1 ZINC000506121944 1122653809 /nfs/dbraw/zinc/65/38/09/1122653809.db2.gz JWKTYCMLOAEKDB-GOSISDBHSA-N 0 1 266.388 3.859 20 0 CHADMN CCO[C@@H](C)c1noc(C[N@H+]2CCCCC[C@@H]2C(C)C)n1 ZINC001192654072 1122653956 /nfs/dbraw/zinc/65/39/56/1122653956.db2.gz UQDSSVQBLXEUNQ-UONOGXRCSA-N 0 1 295.427 3.568 20 0 CHADMN CCO[C@@H](C)c1noc(CN2CCCCC[C@@H]2C(C)C)n1 ZINC001192654072 1122653958 /nfs/dbraw/zinc/65/39/58/1122653958.db2.gz UQDSSVQBLXEUNQ-UONOGXRCSA-N 0 1 295.427 3.568 20 0 CHADMN CN(CCOc1ccccc1F)Cc1ccc(Cl)o1 ZINC000506134255 1122657836 /nfs/dbraw/zinc/65/78/36/1122657836.db2.gz BKCQSMBXSZXPNJ-UHFFFAOYSA-N 0 1 283.730 3.583 20 0 CHADMN Cc1cc(C)c(NC(=O)c2c(O)ccc(F)c2F)cc1C ZINC001192765182 1122658175 /nfs/dbraw/zinc/65/81/75/1122658175.db2.gz SVVGOOJLMBVYPF-UHFFFAOYSA-N 0 1 291.297 3.848 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(CCC2CC2)CC2CC2)c1 ZINC000620629348 1129069806 /nfs/dbraw/zinc/06/98/06/1129069806.db2.gz BLIPFSZFKAOECE-UHFFFAOYSA-N 0 1 297.402 3.524 20 0 CHADMN CC[C@]1(C)COCCN1CCOc1cccc2ccccc21 ZINC001192928034 1122666106 /nfs/dbraw/zinc/66/61/06/1122666106.db2.gz FUIIGQKHYCYRCB-LJQANCHMSA-N 0 1 299.414 3.720 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccc(C(C)(C)O)cc1 ZINC000775567745 1122672398 /nfs/dbraw/zinc/67/23/98/1122672398.db2.gz FVDQZCUXMMXNKF-CQSZACIVSA-N 0 1 298.430 3.722 20 0 CHADMN CC[C@@H](O)[C@H]1CCCCN1Cc1ccc(Cl)cc1F ZINC000438123664 1122680309 /nfs/dbraw/zinc/68/03/09/1122680309.db2.gz YLPHSDDFJKGNGM-HUUCEWRRSA-N 0 1 285.790 3.605 20 0 CHADMN CCc1cccc(N(C)C(=O)c2[nH]cnc2C(C)(C)C)c1 ZINC000633383649 1129070895 /nfs/dbraw/zinc/07/08/95/1129070895.db2.gz LTOMXEUNRRUZRS-UHFFFAOYSA-N 0 1 285.391 3.546 20 0 CHADMN Cc1nc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)co1 ZINC001250509421 1122683349 /nfs/dbraw/zinc/68/33/49/1122683349.db2.gz MDICPISFKWKRBS-UHFFFAOYSA-N 0 1 267.210 3.545 20 0 CHADMN COc1cnccc1[C@@H](C)NC/C=C\c1ccc(F)cc1 ZINC000438465847 1122701669 /nfs/dbraw/zinc/70/16/69/1122701669.db2.gz LQXRFBBFCXZQLM-DHCBQETCSA-N 0 1 286.350 3.593 20 0 CHADMN CCn1c2ccc(F)cc2nc1C[N@H+]1CC[C@H](C(C)C)C1 ZINC000438509790 1122707213 /nfs/dbraw/zinc/70/72/13/1122707213.db2.gz QBPDPNHGROULSE-ZDUSSCGKSA-N 0 1 289.398 3.673 20 0 CHADMN COC(=O)[C@H]1C[C@H](C)CCN1Cc1cccc2ccccc21 ZINC001193686818 1122709673 /nfs/dbraw/zinc/70/96/73/1122709673.db2.gz NISJUFMFHMESSU-RDTXWAMCSA-N 0 1 297.398 3.613 20 0 CHADMN CN(CCc1ccccc1)Cc1cc(F)c(F)cc1F ZINC000506370041 1122725138 /nfs/dbraw/zinc/72/51/38/1122725138.db2.gz OWNDRAUNOBMMDX-UHFFFAOYSA-N 0 1 279.305 3.778 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2cc(Cl)cs2)C[C@H]1O ZINC000426166093 1122725787 /nfs/dbraw/zinc/72/57/87/1122725787.db2.gz BWNVWNGLJIDGGP-CHWSQXEVSA-N 0 1 287.856 3.630 20 0 CHADMN C[C@@H](c1ccccc1)N1CCN(Cc2cccc(F)c2)CC1 ZINC001203785622 1122732552 /nfs/dbraw/zinc/73/25/52/1122732552.db2.gz JFRWYRRMEDOYAP-INIZCTEOSA-N 0 1 298.405 3.705 20 0 CHADMN CC[C@@H]1CCCN(Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000509574533 1122732691 /nfs/dbraw/zinc/73/26/91/1122732691.db2.gz JMLDHOGEVYIRBU-GFCCVEGCSA-N 0 1 297.826 3.979 20 0 CHADMN Oc1ccc(F)c(CNCCCC2CCCC2)c1F ZINC000509580834 1122733681 /nfs/dbraw/zinc/73/36/81/1122733681.db2.gz SWUBVYPTPPVKFE-UHFFFAOYSA-N 0 1 269.335 3.730 20 0 CHADMN [O-]c1ccc(F)c(C[NH2+]CCCC2CCCC2)c1F ZINC000509580834 1122733686 /nfs/dbraw/zinc/73/36/86/1122733686.db2.gz SWUBVYPTPPVKFE-UHFFFAOYSA-N 0 1 269.335 3.730 20 0 CHADMN COc1cc(CNc2nccn2-c2ccccc2)ccc1C ZINC000438930663 1122742902 /nfs/dbraw/zinc/74/29/02/1122742902.db2.gz NJRRLWOVWCCMDW-UHFFFAOYSA-N 0 1 293.370 3.801 20 0 CHADMN CCCCCCOC(=O)Nc1ncc(Cl)cc1O ZINC001194157754 1122752099 /nfs/dbraw/zinc/75/20/99/1122752099.db2.gz PWBHLIUAGGFOLH-UHFFFAOYSA-N 0 1 272.732 3.569 20 0 CHADMN CCc1nc(C)c(CN[C@@H](CC)c2cccc(OC)c2)o1 ZINC000426322526 1122763416 /nfs/dbraw/zinc/76/34/16/1122763416.db2.gz JTFJRTMHJVUCJZ-HNNXBMFYSA-N 0 1 288.391 3.795 20 0 CHADMN CCCc1csc(C[N@H+]2CCCCC[C@H]2C)n1 ZINC000426364230 1122774741 /nfs/dbraw/zinc/77/47/41/1122774741.db2.gz YHKPNODWSGHVHI-GFCCVEGCSA-N 0 1 252.427 3.860 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1cnn(C(C)C)c1 ZINC000426368625 1122775933 /nfs/dbraw/zinc/77/59/33/1122775933.db2.gz BENQIMHLJPUISS-MHWRWJLKSA-N 0 1 283.419 3.999 20 0 CHADMN Cc1nc2ccc(CN(C)Cc3ccc[nH]3)cc2s1 ZINC000426413388 1122786841 /nfs/dbraw/zinc/78/68/41/1122786841.db2.gz RZLHNEPAHFOIMQ-UHFFFAOYSA-N 0 1 271.389 3.565 20 0 CHADMN CN(Cc1ccccn1)C[C@H]1CCC2(CCCCCC2)O1 ZINC001194640561 1122787260 /nfs/dbraw/zinc/78/72/60/1122787260.db2.gz DENNKMKHWZYUMA-QGZVFWFLSA-N 0 1 288.435 3.785 20 0 CHADMN CCC(CC)COC(=O)Nc1cnccc1N1CCCC1 ZINC001194687758 1122791473 /nfs/dbraw/zinc/79/14/73/1122791473.db2.gz LZBATGFBUAYGIC-UHFFFAOYSA-N 0 1 291.395 3.667 20 0 CHADMN Cc1nnc(CN(C)[C@@H]2CCC[C@H]2c2ccccc2)s1 ZINC000297482425 1122796592 /nfs/dbraw/zinc/79/65/92/1122796592.db2.gz JTGJNFKZQQSBOV-LSDHHAIUSA-N 0 1 287.432 3.615 20 0 CHADMN Cc1csc(CN[C@@H]2C[C@@H](C)c3ccccc32)n1 ZINC000265316751 1129080227 /nfs/dbraw/zinc/08/02/27/1129080227.db2.gz JUNWKXRZOFOCPX-QMTHXVAHSA-N 0 1 258.390 3.790 20 0 CHADMN Cc1ccc(CN2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000506767205 1122826192 /nfs/dbraw/zinc/82/61/92/1122826192.db2.gz LUFBMUBLOJHSGY-LBPRGKRZSA-N 0 1 275.289 3.908 20 0 CHADMN COc1cccc(CN(C)Cc2cccc(C)c2C)c1OC ZINC000506772297 1122828122 /nfs/dbraw/zinc/82/81/22/1122828122.db2.gz OHNVFBSGKQXSPI-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN Cc1nc2cc(NC[C@H]3CCC(F)(F)C3)ccc2[nH]1 ZINC000712967568 1122829351 /nfs/dbraw/zinc/82/93/51/1122829351.db2.gz QAKOYBZLSQEHST-JTQLQIEISA-N 0 1 265.307 3.719 20 0 CHADMN Cc1ccc2ncc(CN(C)Cc3ccc(Cl)cc3)n2c1 ZINC000506787688 1122829984 /nfs/dbraw/zinc/82/99/84/1122829984.db2.gz IWQNOPHGTGLIFN-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccnnc1)c1ccc(Cl)s1 ZINC000925067946 1122831238 /nfs/dbraw/zinc/83/12/38/1122831238.db2.gz RAWSPBXYDSXTKV-ONGXEEELSA-N 0 1 281.812 3.993 20 0 CHADMN CCOC[C@H]1CCCCN1Cc1cc(F)ccc1Cl ZINC001195029169 1122832786 /nfs/dbraw/zinc/83/27/86/1122832786.db2.gz RZAKMJYFJXCHAL-CQSZACIVSA-N 0 1 285.790 3.870 20 0 CHADMN CC(C)=CCCN([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC001195044731 1122834673 /nfs/dbraw/zinc/83/46/73/1122834673.db2.gz BUELFKBBPCYXAZ-ZDUSSCGKSA-N 0 1 267.413 3.537 20 0 CHADMN Cc1cccc2nc(CNC(=O)[C@H]3CCC(C)=C(C)C3)[nH]c21 ZINC000519404224 1122835820 /nfs/dbraw/zinc/83/58/20/1122835820.db2.gz IFUAEBRWLBHMAB-AWEZNQCLSA-N 0 1 297.402 3.624 20 0 CHADMN CSC1(CN2CCO[C@@H](c3ccccc3C)C2)CCC1 ZINC000519490213 1122842337 /nfs/dbraw/zinc/84/23/37/1122842337.db2.gz RVBFTYGVUYCYPU-MRXNPFEDSA-N 0 1 291.460 3.654 20 0 CHADMN C[C@@H]1CN(Cc2cn(C)nc2C(C)(C)C)Cc2ccccc21 ZINC000775645723 1122853234 /nfs/dbraw/zinc/85/32/34/1122853234.db2.gz GFFZEZGYBSLBCE-CQSZACIVSA-N 0 1 297.446 3.837 20 0 CHADMN Cc1cccc(Cl)c1S(=O)(=O)Nc1cccc(F)c1 ZINC001195268025 1122859154 /nfs/dbraw/zinc/85/91/54/1122859154.db2.gz NHDOFYDJRVEYQZ-UHFFFAOYSA-N 0 1 299.754 3.588 20 0 CHADMN CCOc1cccc(NC(=O)c2cc(Cl)ccc2O)c1 ZINC000048442495 1122859172 /nfs/dbraw/zinc/85/91/72/1122859172.db2.gz ZBCDGNPIDBWHQH-UHFFFAOYSA-N 0 1 291.734 3.697 20 0 CHADMN CC(C)(C)c1nc[nH]c1C(=O)Nc1ccc2occc2c1 ZINC000633689063 1129082846 /nfs/dbraw/zinc/08/28/46/1129082846.db2.gz ZPJOXQMIFBFULQ-UHFFFAOYSA-N 0 1 283.331 3.706 20 0 CHADMN C[C@@H]1[C@H](C)CN(Cc2c(Cl)cncc2Cl)[C@H]1C ZINC001195289123 1122861054 /nfs/dbraw/zinc/86/10/54/1122861054.db2.gz JHAZZBQNROOVBV-BBBLOLIVSA-N 0 1 273.207 3.865 20 0 CHADMN CCOc1cc(F)c(CN2CC[C@H]3CCC[C@H]3C2)c(F)c1 ZINC001143568927 1122862360 /nfs/dbraw/zinc/86/23/60/1122862360.db2.gz PLSJCUZYPYSXBJ-OLZOCXBDSA-N 0 1 295.373 3.986 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1nc(C(C)(C)C)co1 ZINC000894498023 1122863594 /nfs/dbraw/zinc/86/35/94/1122863594.db2.gz CXKRXEIZRZYSHE-NEPJUHHUSA-N 0 1 250.386 3.735 20 0 CHADMN CC(C)(c1ccc(NCc2cnc[nH]2)cc1)C(F)(F)F ZINC000894566511 1122875245 /nfs/dbraw/zinc/87/52/45/1122875245.db2.gz LTJRZGGUKRLNNH-UHFFFAOYSA-N 0 1 283.297 3.862 20 0 CHADMN Cc1coc(CN2CCC(c3ncc(C)s3)CC2)c1 ZINC000894564657 1122875451 /nfs/dbraw/zinc/87/54/51/1122875451.db2.gz BKWGIVRIKZOEHZ-UHFFFAOYSA-N 0 1 276.405 3.733 20 0 CHADMN CCc1cc(CCCN2CC(C)(C)[C@@H]2c2ccncc2)on1 ZINC000664831067 1122875494 /nfs/dbraw/zinc/87/54/94/1122875494.db2.gz ZOVHZTNCDHTFEZ-KRWDZBQOSA-N 0 1 299.418 3.648 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc(C(C)C)nc2)cc1C ZINC000440462471 1122882665 /nfs/dbraw/zinc/88/26/65/1122882665.db2.gz CMBWAVIJIDYOGE-UHFFFAOYSA-N 0 1 283.419 3.849 20 0 CHADMN Cc1nn(C)c(CNC(C)(C)c2ccccc2C)c1Cl ZINC000894626604 1122883887 /nfs/dbraw/zinc/88/38/87/1122883887.db2.gz YDMVDFHOHRATLC-UHFFFAOYSA-N 0 1 291.826 3.715 20 0 CHADMN COc1nccc(CNC(C)(C)c2ccccc2C)c1F ZINC000894626621 1122884053 /nfs/dbraw/zinc/88/40/53/1122884053.db2.gz YTUFQCPXMHLCCV-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)C[C@H](O)C1CCCCC1 ZINC000473738444 1122884104 /nfs/dbraw/zinc/88/41/04/1122884104.db2.gz BFSPXJGWENEGDI-SJCJKPOMSA-N 0 1 297.389 3.899 20 0 CHADMN Cc1cc(F)ncc1CNCc1cc(C2CC2)ccc1F ZINC000894668395 1122887513 /nfs/dbraw/zinc/88/75/13/1122887513.db2.gz UEEDNPOKDOQRFA-UHFFFAOYSA-N 0 1 288.341 3.835 20 0 CHADMN CC(C)c1nnc(CNC[C@@H]2CCCCC2(F)F)s1 ZINC000894668791 1122888077 /nfs/dbraw/zinc/88/80/77/1122888077.db2.gz WYKRRDDLJPMTSH-JTQLQIEISA-N 0 1 289.395 3.577 20 0 CHADMN CCC(CC)N[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000154174540 1129084691 /nfs/dbraw/zinc/08/46/91/1129084691.db2.gz WZDSVQRKBPNWBZ-NSHDSACASA-N 0 1 291.370 3.639 20 0 CHADMN CSc1nccc(N=C2CCC(C(F)(F)F)CC2)n1 ZINC001195835690 1122891910 /nfs/dbraw/zinc/89/19/10/1122891910.db2.gz RGSRIQYFUNNIDI-MRVPVSSYSA-N 0 1 289.326 3.857 20 0 CHADMN Cc1ccc([C@H]([NH2+]Cc2coc3ccccc23)C(=O)[O-])cc1 ZINC000426670654 1122899842 /nfs/dbraw/zinc/89/98/42/1122899842.db2.gz HHEWFEZXVLFGLW-KRWDZBQOSA-N 0 1 295.338 3.657 20 0 CHADMN CCn1cc([C@H](C)NCc2ccc(C(F)F)c(F)c2)cn1 ZINC000894765201 1122903639 /nfs/dbraw/zinc/90/36/39/1122903639.db2.gz XRJRGEUKJJFKRT-JTQLQIEISA-N 0 1 297.324 3.831 20 0 CHADMN CC(C)c1nnc(CNCC2(C3CCC3)CCC2)s1 ZINC000894803114 1122906561 /nfs/dbraw/zinc/90/65/61/1122906561.db2.gz YAOMMSDCTFEZQT-UHFFFAOYSA-N 0 1 279.453 3.722 20 0 CHADMN c1cc2cc(N[C@@H]3CC[C@@H]4COCC[C@H]4C3)ccc2cn1 ZINC000894808251 1122907055 /nfs/dbraw/zinc/90/70/55/1122907055.db2.gz KMXHHDUBDLCVAF-YXJHDRRASA-N 0 1 282.387 3.852 20 0 CHADMN CC(C)[C@@H]1[N@@H+](Cc2nccn2C2CC2)CC12CCCC2 ZINC000894793180 1122907372 /nfs/dbraw/zinc/90/73/72/1122907372.db2.gz BFCMQHAFTQKWHK-INIZCTEOSA-N 0 1 273.424 3.619 20 0 CHADMN CC(C)[C@@H]1N(Cc2nccn2C2CC2)CC12CCCC2 ZINC000894793180 1122907376 /nfs/dbraw/zinc/90/73/76/1122907376.db2.gz BFCMQHAFTQKWHK-INIZCTEOSA-N 0 1 273.424 3.619 20 0 CHADMN COc1ccc2c(c1)CCN([C@@H](C)c1cccc(F)c1)C2 ZINC001196169073 1122909820 /nfs/dbraw/zinc/90/98/20/1122909820.db2.gz ZPKGXPFTJGXZIT-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN CCc1ccc(CN(CC)Cc2ccc(OC)cc2)o1 ZINC000507001612 1122917360 /nfs/dbraw/zinc/91/73/60/1122917360.db2.gz KAFKQCBBHKHTNP-UHFFFAOYSA-N 0 1 273.376 3.873 20 0 CHADMN COCc1ccccc1/C=C(/C)CN(C)Cc1ccco1 ZINC000506993744 1122918114 /nfs/dbraw/zinc/91/81/14/1122918114.db2.gz YUSPLJZPWCDPIX-PTNGSMBKSA-N 0 1 285.387 3.961 20 0 CHADMN Cc1ccc(CCCN2CC3(CCCC3)OC[C@H]2C)cc1 ZINC001196402462 1122920783 /nfs/dbraw/zinc/92/07/83/1122920783.db2.gz KWLZLCLEUKKQOW-QGZVFWFLSA-N 0 1 287.447 3.961 20 0 CHADMN CCCC1CCN(C(=O)c2cc(Cl)c(F)cc2O)CC1 ZINC001196463361 1122924245 /nfs/dbraw/zinc/92/42/45/1122924245.db2.gz PQWFQHCMKLVUQQ-UHFFFAOYSA-N 0 1 299.773 3.837 20 0 CHADMN CC(C)CCO[C@@H]1CC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC001196517808 1122925339 /nfs/dbraw/zinc/92/53/39/1122925339.db2.gz FQTSEZLDPRKPCA-SQNIBIBYSA-N 0 1 291.410 3.819 20 0 CHADMN C[C@H](O)CCN(C)[C@@H](C)c1cc(Cl)ccc1Cl ZINC000154362056 1129087258 /nfs/dbraw/zinc/08/72/58/1129087258.db2.gz NETRALXBNPNIMM-UWVGGRQHSA-N 0 1 276.207 3.757 20 0 CHADMN C/C=C/C[C@@H]1CCCN(Cc2cccc(Cl)n2)C1 ZINC001196615535 1122928813 /nfs/dbraw/zinc/92/88/13/1122928813.db2.gz XAEPTLSGKCNTLR-YWVDXFKGSA-N 0 1 264.800 3.913 20 0 CHADMN CCN(Cc1c(C)nn(C)c1C)Cc1ccc(Cl)cc1 ZINC000507144333 1122930242 /nfs/dbraw/zinc/93/02/42/1122930242.db2.gz QMCPKYCDLVAQLR-UHFFFAOYSA-N 0 1 291.826 3.712 20 0 CHADMN Cc1noc(C)c1NC1=CC[C@@H](C(F)(F)F)CC1 ZINC001196768561 1122931809 /nfs/dbraw/zinc/93/18/09/1122931809.db2.gz RYNKSLOAICIJGL-SECBINFHSA-N 0 1 260.259 3.950 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1cncs1 ZINC000507172786 1122935002 /nfs/dbraw/zinc/93/50/02/1122935002.db2.gz IHLKKYCMHCWUMR-INIZCTEOSA-N 0 1 288.416 3.661 20 0 CHADMN CC[C@H](C)N1CCc2ccc(C(F)(F)F)cc2C1 ZINC001196850862 1122937166 /nfs/dbraw/zinc/93/71/66/1122937166.db2.gz MZNFVZIXOZFXKQ-JTQLQIEISA-N 0 1 257.299 3.862 20 0 CHADMN c1[nH]nc2c1C[N@@H+](Cc1cc3ccccc3s1)CCC2 ZINC000664861673 1122937326 /nfs/dbraw/zinc/93/73/26/1122937326.db2.gz BAYCASIQCZPBTH-UHFFFAOYSA-N 0 1 283.400 3.573 20 0 CHADMN Cc1ccc(C)c([C@@H](C)[N@@H+](C)Cc2ccnc(C)n2)c1 ZINC000507189384 1122937928 /nfs/dbraw/zinc/93/79/28/1122937928.db2.gz ASTIUCWCFLQJSS-CQSZACIVSA-N 0 1 269.392 3.595 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N(C)Cc2ccnc(C)n2)c1 ZINC000507189384 1122937932 /nfs/dbraw/zinc/93/79/32/1122937932.db2.gz ASTIUCWCFLQJSS-CQSZACIVSA-N 0 1 269.392 3.595 20 0 CHADMN CCC[N@@H+](Cc1nc2c(s1)C[C@H](C)CC2)C1CC1 ZINC000507225613 1122940452 /nfs/dbraw/zinc/94/04/52/1122940452.db2.gz AJXYNMNFFDUJON-LLVKDONJSA-N 0 1 264.438 3.642 20 0 CHADMN CCCN(Cc1nc2c(s1)C[C@H](C)CC2)C1CC1 ZINC000507225613 1122940460 /nfs/dbraw/zinc/94/04/60/1122940460.db2.gz AJXYNMNFFDUJON-LLVKDONJSA-N 0 1 264.438 3.642 20 0 CHADMN Cc1noc(CN[C@@H]2CCC(C)(C)C[C@@H]2c2ccccc2)n1 ZINC001197204194 1122948818 /nfs/dbraw/zinc/94/88/18/1122948818.db2.gz XLBHYEPQJVLOTP-HZPDHXFCSA-N 0 1 299.418 3.830 20 0 CHADMN CC1(C)Cc2n[nH]cc2CN(Cc2cc3ccccc3o2)C1 ZINC000664866160 1122948884 /nfs/dbraw/zinc/94/88/84/1122948884.db2.gz BHMMZIGYAASGSB-UHFFFAOYSA-N 0 1 295.386 3.740 20 0 CHADMN CC(C)(C)n1cc(CN2CC[C@]2(C)C2CCCCC2)nn1 ZINC001197240532 1122949543 /nfs/dbraw/zinc/94/95/43/1122949543.db2.gz VESQRGGWDMBHNE-QGZVFWFLSA-N 0 1 290.455 3.578 20 0 CHADMN COc1cccc(CNCc2cscc2Cl)c1 ZINC000775769172 1122953170 /nfs/dbraw/zinc/95/31/70/1122953170.db2.gz HXSAZBIVWPFJGM-UHFFFAOYSA-N 0 1 267.781 3.700 20 0 CHADMN CCc1ncc(C[N@@H+](C)[C@@H](C)c2cccs2)s1 ZINC000507443938 1122954504 /nfs/dbraw/zinc/95/45/04/1122954504.db2.gz ZDMBURIRXZCDRH-JTQLQIEISA-N 0 1 266.435 3.960 20 0 CHADMN CCc1ncc(CN(C)[C@@H](C)c2cccs2)s1 ZINC000507443938 1122954508 /nfs/dbraw/zinc/95/45/08/1122954508.db2.gz ZDMBURIRXZCDRH-JTQLQIEISA-N 0 1 266.435 3.960 20 0 CHADMN CCc1cccnc1[C@H](C)NC1(c2ccccc2)CC1 ZINC000507464056 1122956983 /nfs/dbraw/zinc/95/69/83/1122956983.db2.gz WHKBHBYUYDCKKZ-AWEZNQCLSA-N 0 1 266.388 3.984 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccc(C)c(F)c1 ZINC000507462465 1122958507 /nfs/dbraw/zinc/95/85/07/1122958507.db2.gz PAFSGZWZMOMTLF-CYBMUJFWSA-N 0 1 272.367 3.942 20 0 CHADMN Cc1nsc(C)c1CN1Cc2ccccc2[C@H](C)C1 ZINC001197551759 1122960059 /nfs/dbraw/zinc/96/00/59/1122960059.db2.gz CEEVCKOYKQAMHH-LLVKDONJSA-N 0 1 272.417 3.879 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ncccc2CC)cc1 ZINC000507508791 1122961429 /nfs/dbraw/zinc/96/14/29/1122961429.db2.gz JWXCQLONTNLYIN-CQSZACIVSA-N 0 1 284.403 3.894 20 0 CHADMN CCc1cccnc1[C@@H](C)NC1(c2ccc(OC)cc2)CC1 ZINC000507520342 1122963167 /nfs/dbraw/zinc/96/31/67/1122963167.db2.gz PLOIQJVPLPTDPA-CQSZACIVSA-N 0 1 296.414 3.993 20 0 CHADMN COc1cc(CN2CC[C@@H](C)[C@H]2c2ccccc2)sn1 ZINC001197657211 1122963810 /nfs/dbraw/zinc/96/38/10/1122963810.db2.gz AAIOZRWTEKQSJL-WBMJQRKESA-N 0 1 288.416 3.735 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@H]2c2cccc(F)c2)[nH]1 ZINC001203242588 1122965424 /nfs/dbraw/zinc/96/54/24/1122965424.db2.gz CHLLNNLBFUVBNP-INIZCTEOSA-N 0 1 287.382 3.757 20 0 CHADMN FC(F)(F)c1cccc(CN2CCC[C@@H]3C[C@@H]32)c1 ZINC001203886401 1122972357 /nfs/dbraw/zinc/97/23/57/1122972357.db2.gz AEZBPJRSAPOJEU-YPMHNXCESA-N 0 1 255.283 3.690 20 0 CHADMN CC(C)c1cccc(C(C)C)c1NC(=O)Nc1c[nH]nn1 ZINC001197923814 1122973909 /nfs/dbraw/zinc/97/39/09/1122973909.db2.gz OMTAKKVXMIWBRP-UHFFFAOYSA-N 0 1 287.367 3.696 20 0 CHADMN CN(CCC1CCCCC1)CC(=O)Nc1cccc(F)c1 ZINC000507596670 1122974558 /nfs/dbraw/zinc/97/45/58/1122974558.db2.gz DPLDVPCUEBOZGD-UHFFFAOYSA-N 0 1 292.398 3.666 20 0 CHADMN Cn1cnc2cc(CNCc3ccccc3Cl)ccc21 ZINC000775805911 1122975194 /nfs/dbraw/zinc/97/51/94/1122975194.db2.gz WNGWZZPQMFDLGW-UHFFFAOYSA-N 0 1 285.778 3.517 20 0 CHADMN Cc1ncc(CN2CCC[C@H]2c2ccsc2)s1 ZINC000334251649 1122977172 /nfs/dbraw/zinc/97/71/72/1122977172.db2.gz KPXRWUKFYONKMW-ZDUSSCGKSA-N 0 1 264.419 3.850 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@H]3C)n[nH]2)c(C)c1 ZINC000427459486 1122978609 /nfs/dbraw/zinc/97/86/09/1122978609.db2.gz NDYJUGHIRYHDHR-GXTWGEPZSA-N 0 1 297.402 3.564 20 0 CHADMN Cc1cc([C@H]2CCCCN2Cc2ccc(C)c(F)c2)n[nH]1 ZINC001198131459 1122981852 /nfs/dbraw/zinc/98/18/52/1122981852.db2.gz QECYGAZSHZGCDG-QGZVFWFLSA-N 0 1 287.382 3.893 20 0 CHADMN CCCCCN(CC(N)=O)Cc1ccc(C(C)(C)C)s1 ZINC000507689560 1122988368 /nfs/dbraw/zinc/98/83/68/1122988368.db2.gz IEEOUVDXEPTWAB-UHFFFAOYSA-N 0 1 296.480 3.523 20 0 CHADMN Cc1cccc2c1CC[N@H+]([C@H](C)c1cccnc1)C2 ZINC000729476990 1122992217 /nfs/dbraw/zinc/99/22/17/1122992217.db2.gz IIBDQQOFDJXILM-CQSZACIVSA-N 0 1 252.361 3.509 20 0 CHADMN Cc1cccc2c1CCN([C@H](C)c1cccnc1)C2 ZINC000729476990 1122992220 /nfs/dbraw/zinc/99/22/20/1122992220.db2.gz IIBDQQOFDJXILM-CQSZACIVSA-N 0 1 252.361 3.509 20 0 CHADMN CN(C)Cc1ccc(NC(=O)C2=CCCCCC2)cc1F ZINC000775866573 1122996179 /nfs/dbraw/zinc/99/61/79/1122996179.db2.gz CGEBLAABGDOHAV-UHFFFAOYSA-N 0 1 290.382 3.716 20 0 CHADMN C[C@@H](c1cccc2ccccc21)N(C)Cc1ccn(C)n1 ZINC001198622033 1123004555 /nfs/dbraw/zinc/00/45/55/1123004555.db2.gz JJKQMSCLQASRRN-AWEZNQCLSA-N 0 1 279.387 3.766 20 0 CHADMN c1csc(CN2CCC[C@@H](C3CCCC3)C2)n1 ZINC001198705562 1123008741 /nfs/dbraw/zinc/00/87/41/1123008741.db2.gz LHMXBWHUKPAGHE-CYBMUJFWSA-N 0 1 250.411 3.545 20 0 CHADMN c1coc(CNCc2cccc(Oc3ccccn3)c2)c1 ZINC001198934865 1123015787 /nfs/dbraw/zinc/01/57/87/1123015787.db2.gz FDOIKWSWOAIOIS-UHFFFAOYSA-N 0 1 280.327 3.757 20 0 CHADMN CC(C)(C)OC1CC(N2CC[C@@H]2c2cccc(F)c2)C1 ZINC000775927719 1123018306 /nfs/dbraw/zinc/01/83/06/1123018306.db2.gz SDMVKIAVJGZYKJ-UYSNPLJNSA-N 0 1 277.383 3.919 20 0 CHADMN CC(F)(F)c1cccc(NC(=O)c2c(O)cccc2F)c1 ZINC000440636367 1123023998 /nfs/dbraw/zinc/02/39/98/1123023998.db2.gz FOCLZTDMPXIVJG-UHFFFAOYSA-N 0 1 295.260 3.895 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN(C)CC1CCCC1 ZINC000070158357 1123027980 /nfs/dbraw/zinc/02/79/80/1123027980.db2.gz IWAFSHTYWVAKJA-UHFFFAOYSA-N 0 1 289.419 3.910 20 0 CHADMN CCCN(Cc1csc(-c2ccccn2)n1)C(C)C ZINC000519834779 1123028017 /nfs/dbraw/zinc/02/80/17/1123028017.db2.gz VBLXJEYMSVOGGN-UHFFFAOYSA-N 0 1 275.421 3.826 20 0 CHADMN CC[C@@H](NCc1nnc(C(C)(C)C)o1)C1CCCCC1 ZINC000776016642 1123036505 /nfs/dbraw/zinc/03/65/05/1123036505.db2.gz SUZRCBDUIGSUMS-CYBMUJFWSA-N 0 1 279.428 3.816 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccnn1-c1ccccc1 ZINC000414312773 1129094582 /nfs/dbraw/zinc/09/45/82/1129094582.db2.gz ODPXBUNXYRYRNG-FVQBIDKESA-N 0 1 287.382 3.804 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1cc(C(F)(F)F)n[nH]1 ZINC000440816686 1123041730 /nfs/dbraw/zinc/04/17/30/1123041730.db2.gz DABOQKGQTDXMNB-CYBMUJFWSA-N 0 1 295.308 3.514 20 0 CHADMN CC1(C)CN(CCCc2ccccc2)[C@@H]2CCC[C@H]2O1 ZINC000440954526 1123049273 /nfs/dbraw/zinc/04/92/73/1123049273.db2.gz FBEAVTBCMJCTEP-IAGOWNOFSA-N 0 1 273.420 3.651 20 0 CHADMN CCc1cnc(CNCCc2csc(C(C)C)n2)s1 ZINC001199991503 1123050730 /nfs/dbraw/zinc/05/07/30/1123050730.db2.gz ZBGNRPGACRFERM-UHFFFAOYSA-N 0 1 295.477 3.618 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC001152815159 1123062175 /nfs/dbraw/zinc/06/21/75/1123062175.db2.gz ITYWUYAIYCZILL-PMPSAXMXSA-N 0 1 282.472 3.534 20 0 CHADMN CSc1ccc(OCCN(C)Cc2ccc(C)o2)cc1 ZINC000441209202 1123067653 /nfs/dbraw/zinc/06/76/53/1123067653.db2.gz ZAHRMMPPUQXDIO-UHFFFAOYSA-N 0 1 291.416 3.821 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@H]1CCc2c1cccc2Cl ZINC000520252995 1123068791 /nfs/dbraw/zinc/06/87/91/1123068791.db2.gz MZQGRULGGISNRC-BZNIZROVSA-N 0 1 287.794 3.777 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@H]1CCc2c1cccc2Cl ZINC000520252997 1123069467 /nfs/dbraw/zinc/06/94/67/1123069467.db2.gz MZQGRULGGISNRC-ZBEGNZNMSA-N 0 1 287.794 3.777 20 0 CHADMN c1ccc(C[C@H]2CCN(Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000155096047 1129097017 /nfs/dbraw/zinc/09/70/17/1129097017.db2.gz BQLVHNPDSFBKHJ-MRXNPFEDSA-N 0 1 291.398 3.628 20 0 CHADMN CSc1ccc(OCCN2Cc3ccccc3C2)cc1 ZINC000441313364 1123076472 /nfs/dbraw/zinc/07/64/72/1123076472.db2.gz SKCXWCFXJQVXBP-UHFFFAOYSA-N 0 1 285.412 3.803 20 0 CHADMN Cc1cnccc1CN1Cc2ccccc2OC(C)(C)C1 ZINC000520336234 1123077659 /nfs/dbraw/zinc/07/76/59/1123077659.db2.gz AMSSNWCVIFKUKT-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN Cc1cc(CNCc2cnccc2C(C)(C)C)cnc1F ZINC000894907210 1123080488 /nfs/dbraw/zinc/08/04/88/1123080488.db2.gz KVUKLAIHKHLCBE-UHFFFAOYSA-N 0 1 287.382 3.511 20 0 CHADMN C(CC1CCCCC1)Sc1nc(C2CC2)n[nH]1 ZINC000608101814 1123088465 /nfs/dbraw/zinc/08/84/65/1123088465.db2.gz PQHHMCIIKLCSBJ-UHFFFAOYSA-N 0 1 251.399 3.745 20 0 CHADMN C(CC1CCCCC1)Sc1n[nH]c(C2CC2)n1 ZINC000608101814 1123088468 /nfs/dbraw/zinc/08/84/68/1123088468.db2.gz PQHHMCIIKLCSBJ-UHFFFAOYSA-N 0 1 251.399 3.745 20 0 CHADMN c1ccc(-c2ncc3c(n2)CN(C[C@H]2CC=CCC2)C3)cc1 ZINC001201430179 1123099774 /nfs/dbraw/zinc/09/97/74/1123099774.db2.gz ZVCNGKVYTQSERP-HNNXBMFYSA-N 0 1 291.398 3.816 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(Cl)cn1 ZINC000776168533 1123100786 /nfs/dbraw/zinc/10/07/86/1123100786.db2.gz CPPCCXJNVSOXQG-INIZCTEOSA-N 0 1 272.779 3.821 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccoc2)no1 ZINC000123565604 1123101287 /nfs/dbraw/zinc/10/12/87/1123101287.db2.gz XGWCOCRSQNTSMD-AWEZNQCLSA-N 0 1 289.379 3.730 20 0 CHADMN C[C@@H](N[C@@H]1CSc2ccccc21)c1cccnc1 ZINC000123632054 1123102142 /nfs/dbraw/zinc/10/21/42/1123102142.db2.gz RLHIHOYAVOQIQM-BXUZGUMPSA-N 0 1 256.374 3.579 20 0 CHADMN CC(C)(C)C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001201441309 1123104651 /nfs/dbraw/zinc/10/46/51/1123104651.db2.gz ALUZIAJQJUWZDQ-OKILXGFUSA-N 0 1 296.455 3.506 20 0 CHADMN CC(C)=CCC[C@H](C)CN1CCO[C@H](c2ccncc2)C1 ZINC001201496742 1123110760 /nfs/dbraw/zinc/11/07/60/1123110760.db2.gz QDPCMYJZNGHDOG-WMZOPIPTSA-N 0 1 288.435 3.837 20 0 CHADMN CC(C)CCc1noc(CN2CC(C)(C)[C@@H]3CCC[C@H]32)n1 ZINC000520434978 1123113223 /nfs/dbraw/zinc/11/32/23/1123113223.db2.gz MVMHIUOGHFVKEG-ZIAGYGMSSA-N 0 1 291.439 3.669 20 0 CHADMN CN(C)c1cccc(CNCc2cc3ccccc3s2)n1 ZINC001201536105 1123115565 /nfs/dbraw/zinc/11/55/65/1123115565.db2.gz MUFNCHDUUQUHKN-UHFFFAOYSA-N 0 1 297.427 3.652 20 0 CHADMN CCC[C@@H](C)CN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001201552136 1123119185 /nfs/dbraw/zinc/11/91/85/1123119185.db2.gz AQMKMBAQDZOPGE-SKDRFNHKSA-N 0 1 275.318 3.779 20 0 CHADMN CS[C@@H]1CC[C@@H]1N[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000425337889 1123122673 /nfs/dbraw/zinc/12/26/73/1123122673.db2.gz AKRYUFDXRJRSDA-JQHSSLGASA-N 0 1 298.455 3.963 20 0 CHADMN COc1cccc2c(CNCc3cccc(F)n3)cccc12 ZINC001201556908 1123123164 /nfs/dbraw/zinc/12/31/64/1123123164.db2.gz CHQNULBTYUZDPJ-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN CC1CCC(OCC(=O)Nc2cccc(Cl)c2O)CC1 ZINC000331035341 1123124628 /nfs/dbraw/zinc/12/46/28/1123124628.db2.gz AMOIXUQXOACFOD-UHFFFAOYSA-N 0 1 297.782 3.579 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc3c2OCCO3)s1 ZINC000049159847 1123133134 /nfs/dbraw/zinc/13/31/34/1123133134.db2.gz MBPXKACQSYLERM-LBPRGKRZSA-N 0 1 289.400 3.679 20 0 CHADMN Cc1nc(CN[C@@H]2c3ccccc3CC[C@H]2C)cs1 ZINC001201674962 1123133669 /nfs/dbraw/zinc/13/36/69/1123133669.db2.gz FWTVYDGKEXOOEP-BZNIZROVSA-N 0 1 272.417 3.865 20 0 CHADMN CCCN1Cc2c(Br)cccc2C[C@H]1C ZINC001201652852 1123135953 /nfs/dbraw/zinc/13/59/53/1123135953.db2.gz VZMJKMJRECLUFG-SNVBAGLBSA-N 0 1 268.198 3.606 20 0 CHADMN Fc1cccc2c1C[N@@H+](CCCc1ccccc1)C2 ZINC001201663222 1123136925 /nfs/dbraw/zinc/13/69/25/1123136925.db2.gz BHHKRVWIEZWVJC-UHFFFAOYSA-N 0 1 255.336 3.774 20 0 CHADMN Fc1cccc2c1CN(CCCc1ccccc1)C2 ZINC001201663222 1123136927 /nfs/dbraw/zinc/13/69/27/1123136927.db2.gz BHHKRVWIEZWVJC-UHFFFAOYSA-N 0 1 255.336 3.774 20 0 CHADMN CC[C@H]1CO[C@@H](C)C[N@H+]1CCOc1cccc2ccccc21 ZINC000520465892 1123138091 /nfs/dbraw/zinc/13/80/91/1123138091.db2.gz QGRRFULRMXIOSA-RDJZCZTQSA-N 0 1 299.414 3.718 20 0 CHADMN CC[C@H]1CO[C@@H](C)CN1CCOc1cccc2ccccc21 ZINC000520465892 1123138093 /nfs/dbraw/zinc/13/80/93/1123138093.db2.gz QGRRFULRMXIOSA-RDJZCZTQSA-N 0 1 299.414 3.718 20 0 CHADMN Cc1ncc(CN2CCCC[C@@H]2c2ccccc2)cn1 ZINC000334152235 1123138834 /nfs/dbraw/zinc/13/88/34/1123138834.db2.gz VIWAVQCWKQSAKN-QGZVFWFLSA-N 0 1 267.376 3.512 20 0 CHADMN CC[C@@H](NCc1ocnc1C)c1ccc(C)c(F)c1 ZINC001201713986 1123139225 /nfs/dbraw/zinc/13/92/25/1123139225.db2.gz DRUNNQDPKPJNHP-CQSZACIVSA-N 0 1 262.328 3.671 20 0 CHADMN CSCCCN1CCSC[C@@H]1c1ccc(F)cc1 ZINC001201691762 1123142693 /nfs/dbraw/zinc/14/26/93/1123142693.db2.gz DSTYBGOJHFRGRC-CQSZACIVSA-N 0 1 285.453 3.669 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1noc(-c2ccccc2)n1 ZINC000441478444 1123143924 /nfs/dbraw/zinc/14/39/24/1123143924.db2.gz STAPFQNWSFWGEU-VNQPRFMTSA-N 0 1 297.402 3.890 20 0 CHADMN COc1ccnc(NCc2ccc(CC(F)(F)F)cc2)c1 ZINC001201814009 1123151467 /nfs/dbraw/zinc/15/14/67/1123151467.db2.gz IWYFOVMIZYIYEN-UHFFFAOYSA-N 0 1 296.292 3.807 20 0 CHADMN CC[C@H](Nc1ncnc2[nH]cnc21)c1cccc(Cl)c1 ZINC000133007052 1123158638 /nfs/dbraw/zinc/15/86/38/1123158638.db2.gz JSUCUARXMRMPFL-NSHDSACASA-N 0 1 287.754 3.570 20 0 CHADMN C[C@H]1Cc2ccc(Br)cc2CN1CC1CC1 ZINC001201952594 1123162531 /nfs/dbraw/zinc/16/25/31/1123162531.db2.gz WLWNJEWLVQHNLH-JTQLQIEISA-N 0 1 280.209 3.606 20 0 CHADMN CC1(CC(F)F)CN(Cc2cccc3c2NCCC3)C1 ZINC000895077456 1123162815 /nfs/dbraw/zinc/16/28/15/1123162815.db2.gz GMGNEYZXEZSRFB-UHFFFAOYSA-N 0 1 280.362 3.522 20 0 CHADMN CCCn1cc(CNCc2cccc(C(F)F)c2)c(C)n1 ZINC001202009190 1123165833 /nfs/dbraw/zinc/16/58/33/1123165833.db2.gz GKKIHCIMYRPVPL-UHFFFAOYSA-N 0 1 293.361 3.829 20 0 CHADMN CC[C@H]1C[C@H](C[N@H+]2CCc3c(F)ccc(F)c3C2)CCO1 ZINC000507776680 1123170789 /nfs/dbraw/zinc/17/07/89/1123170789.db2.gz NXTQYNDFYAGUFR-OLZOCXBDSA-N 0 1 295.373 3.528 20 0 CHADMN CC[C@H]1C[C@H](CN2CCc3c(F)ccc(F)c3C2)CCO1 ZINC000507776680 1123170791 /nfs/dbraw/zinc/17/07/91/1123170791.db2.gz NXTQYNDFYAGUFR-OLZOCXBDSA-N 0 1 295.373 3.528 20 0 CHADMN C[C@@H]1SCC[C@@H]1Nc1ccnc2cc(F)ccc21 ZINC000645401764 1123177098 /nfs/dbraw/zinc/17/70/98/1123177098.db2.gz KXBPFDIVXCEFIV-CABZTGNLSA-N 0 1 262.353 3.680 20 0 CHADMN C[C@@H]1CCC[C@@H](C)C1NCc1nc(Cc2ccccc2)no1 ZINC000182950930 1123177704 /nfs/dbraw/zinc/17/77/04/1123177704.db2.gz XNSYPPMZBXXWLT-ZIAGYGMSSA-N 0 1 299.418 3.575 20 0 CHADMN Cc1coc(CN[C@H](c2ccccc2)C2(CO)CC=CC2)c1 ZINC000895084897 1123178316 /nfs/dbraw/zinc/17/83/16/1123178316.db2.gz KGTKDDZTPYCLTD-GOSISDBHSA-N 0 1 297.398 3.748 20 0 CHADMN c1sc2ccccc2c1Nc1nonc1C1CC1 ZINC001202164924 1123180239 /nfs/dbraw/zinc/18/02/39/1123180239.db2.gz CIBYMNNKYCWJCD-UHFFFAOYSA-N 0 1 257.318 3.905 20 0 CHADMN Cc1ccccc1NC(=O)Nc1c(O)cc(F)cc1F ZINC001202187027 1123183867 /nfs/dbraw/zinc/18/38/67/1123183867.db2.gz GAGXJCVCYVLYGB-UHFFFAOYSA-N 0 1 278.258 3.623 20 0 CHADMN Cc1cc(F)cc(CN2CCC[C@H]2c2ccccn2)c1 ZINC001143586711 1123189919 /nfs/dbraw/zinc/18/99/19/1123189919.db2.gz TZEZDTLJHSDVLW-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cn1cncc1CN[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000334593960 1123193002 /nfs/dbraw/zinc/19/30/02/1123193002.db2.gz TWJBWURZHYPXCR-CQSZACIVSA-N 0 1 296.201 3.504 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1ccccc1OC ZINC001203438111 1123194329 /nfs/dbraw/zinc/19/43/29/1123194329.db2.gz SBZMKHFBRVKZFL-UHFFFAOYSA-N 0 1 285.387 3.726 20 0 CHADMN O=C1CC2(CCN(CCC(F)(F)F)CC2)c2ccccc21 ZINC001202356109 1123201072 /nfs/dbraw/zinc/20/10/72/1123201072.db2.gz MGJKMRQQWSQSEK-UHFFFAOYSA-N 0 1 297.320 3.559 20 0 CHADMN O=C(c1ccccc1)[C@H]1CC[N@H+](CCCC(F)(F)F)C1 ZINC001202441390 1123208294 /nfs/dbraw/zinc/20/82/94/1123208294.db2.gz CPMPHJWUBIHGQC-ZDUSSCGKSA-N 0 1 285.309 3.534 20 0 CHADMN C[C@@H]1CCN(Cc2nnc(-c3ccccc3)s2)C[C@@H]1C ZINC000155742211 1129106371 /nfs/dbraw/zinc/10/63/71/1129106371.db2.gz IBXDAHJRDOXPBA-OLZOCXBDSA-N 0 1 287.432 3.683 20 0 CHADMN Fc1ccccc1CNCc1nccc2ccccc21 ZINC000067450817 1123216730 /nfs/dbraw/zinc/21/67/30/1123216730.db2.gz FNOLSOUNJKZDEJ-UHFFFAOYSA-N 0 1 266.319 3.664 20 0 CHADMN COc1ccc(C)cc1CNCc1nccc2ccccc21 ZINC000067450858 1123216748 /nfs/dbraw/zinc/21/67/48/1123216748.db2.gz WQWDLPABTHLAGQ-UHFFFAOYSA-N 0 1 292.382 3.842 20 0 CHADMN CCCc1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)cc1 ZINC000195566422 1123219363 /nfs/dbraw/zinc/21/93/63/1123219363.db2.gz DDCIRPNERQIKER-UHFFFAOYSA-N 0 1 297.333 3.907 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000155861079 1129106986 /nfs/dbraw/zinc/10/69/86/1129106986.db2.gz KQPCMSYXHWXTGC-WFASDCNBSA-N 0 1 277.412 3.574 20 0 CHADMN COCc1cc(-c2ccc(F)c(CN(C)C)c2)cs1 ZINC000665200450 1123227125 /nfs/dbraw/zinc/22/71/25/1123227125.db2.gz VENKDJGLZZCKMH-UHFFFAOYSA-N 0 1 279.380 3.762 20 0 CHADMN CN(C)Cc1cc(-c2ccc(C(F)(F)F)cn2)ccc1F ZINC000665199623 1123227895 /nfs/dbraw/zinc/22/78/95/1123227895.db2.gz PSZKBVLRWSYSOA-UHFFFAOYSA-N 0 1 298.283 3.968 20 0 CHADMN Fc1ccc([C@@H](Sc2c[nH]nn2)c2ccccc2)cc1 ZINC000155959853 1129107635 /nfs/dbraw/zinc/10/76/35/1129107635.db2.gz WAYDBJKQKSVFOG-HNNXBMFYSA-N 0 1 285.347 3.826 20 0 CHADMN c1c(CN[C@@H](c2ccccc2)C2CC2)onc1C1CC1 ZINC000660209158 1129107696 /nfs/dbraw/zinc/10/76/96/1129107696.db2.gz WRMQJZPIWSMRKF-KRWDZBQOSA-N 0 1 268.360 3.793 20 0 CHADMN CCCN(CC(=O)Nc1ccccc1C(C)(C)C)C1CC1 ZINC000507849284 1123240332 /nfs/dbraw/zinc/24/03/32/1123240332.db2.gz YNSFPDFRLCBQCW-UHFFFAOYSA-N 0 1 288.435 3.797 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2CCCc3c(F)cccc32)c(C)n1 ZINC000334521400 1123240994 /nfs/dbraw/zinc/24/09/94/1123240994.db2.gz CXWFLADSPPAAOJ-KPZWWZAWSA-N 0 1 299.393 3.961 20 0 CHADMN CCC(C)(C)c1ccc(NS(=O)(=O)c2ccoc2)cc1 ZINC000507907865 1123247327 /nfs/dbraw/zinc/24/73/27/1123247327.db2.gz IGXRGFJAZNTXBT-UHFFFAOYSA-N 0 1 293.388 3.768 20 0 CHADMN C[C@H](NCc1cccc(OC2CC2)c1F)c1ccc[nH]1 ZINC000850228614 1123247981 /nfs/dbraw/zinc/24/79/81/1123247981.db2.gz ILJBDSWRRMCWIU-NSHDSACASA-N 0 1 274.339 3.546 20 0 CHADMN COc1cncc(CNCc2cccc(C(C)C)c2)c1 ZINC000850251569 1123249030 /nfs/dbraw/zinc/24/90/30/1123249030.db2.gz ZXTAQDRSCNTEFC-UHFFFAOYSA-N 0 1 270.376 3.503 20 0 CHADMN CCc1ccc(C)nc1NC[C@@H]1CCO[C@H](CC)C1 ZINC000850356785 1123255524 /nfs/dbraw/zinc/25/55/24/1123255524.db2.gz SBHAAVVXELQPAW-UKRRQHHQSA-N 0 1 262.397 3.570 20 0 CHADMN CC[C@@H]1C[C@@H](CNc2nccc(C)c2C2CC2)CCO1 ZINC000850362351 1123256687 /nfs/dbraw/zinc/25/66/87/1123256687.db2.gz LHXWSRSLXIVBHG-DZGCQCFKSA-N 0 1 274.408 3.885 20 0 CHADMN c1cc(Oc2ccccc2)oc1CN[C@@H]1COC2(CCC2)C1 ZINC000850370041 1123258198 /nfs/dbraw/zinc/25/81/98/1123258198.db2.gz LLQLDOFLYAIKIA-AWEZNQCLSA-N 0 1 299.370 3.873 20 0 CHADMN O[C@@H]1C[C@@H](NCc2ccc(F)c(Cl)c2)c2ccccc21 ZINC000850371593 1123258538 /nfs/dbraw/zinc/25/85/38/1123258538.db2.gz LCGNJIFZEQCLGO-HZPDHXFCSA-N 0 1 291.753 3.747 20 0 CHADMN Cc1cc(CN[C@H]2C[C@H](O)c3ccccc32)ccc1Cl ZINC000850371812 1123259499 /nfs/dbraw/zinc/25/94/99/1123259499.db2.gz MEIOBRANEZIFHA-IRXDYDNUSA-N 0 1 287.790 3.916 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1cncc(Br)c1 ZINC000850448763 1123268724 /nfs/dbraw/zinc/26/87/24/1123268724.db2.gz PHBBGXFMANEXBZ-ZJUUUORDSA-N 0 1 294.196 3.584 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H]1C[C@H](O)c2ccccc21 ZINC000850528476 1123282830 /nfs/dbraw/zinc/28/28/30/1123282830.db2.gz IAPMWYIYVKCMBY-ZLIFDBKOSA-N 0 1 283.371 3.524 20 0 CHADMN CCc1nc(C)c(CN2C[C@H](C)[C@H]2c2ccccc2)o1 ZINC000428221594 1123282844 /nfs/dbraw/zinc/28/28/44/1123282844.db2.gz UKHQGVXKCZUTNY-SJCJKPOMSA-N 0 1 270.376 3.738 20 0 CHADMN O[C@@H]1C[C@@H](N[C@@H]2CCSc3ccccc32)c2ccccc21 ZINC000850527555 1123283260 /nfs/dbraw/zinc/28/32/60/1123283260.db2.gz ASKKLDJIAIMEOO-BRWVUGGUSA-N 0 1 297.423 3.992 20 0 CHADMN COc1cc(C)ccc1[C@H](C)N[C@@H]1C[C@H](O)c2ccccc21 ZINC000850528735 1123283412 /nfs/dbraw/zinc/28/34/12/1123283412.db2.gz KKFVRRAMCLSKCE-VHSSKADRSA-N 0 1 297.398 3.833 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1ccnc(Cl)c1 ZINC000850543537 1123289229 /nfs/dbraw/zinc/28/92/29/1123289229.db2.gz LTMPTOQJJNUHLG-MEBBXXQBSA-N 0 1 288.778 3.779 20 0 CHADMN C[C@@H](N[C@]1(C)CC1(C)C)c1nc(Br)cs1 ZINC000850556499 1123291227 /nfs/dbraw/zinc/29/12/27/1123291227.db2.gz QZSFITBXOQUSLW-RDDDGLTNSA-N 0 1 289.242 3.745 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC[C@@](C)(c3ccccc3)C2)o1 ZINC000113265558 1123291974 /nfs/dbraw/zinc/29/19/74/1123291974.db2.gz WXRXPDLNWVJECM-RDTXWAMCSA-N 0 1 299.418 3.747 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nccn1C)c1ccc2c(c1)CCCO2 ZINC000850573206 1123295671 /nfs/dbraw/zinc/29/56/71/1123295671.db2.gz WOLCUZAIAVMLBX-XJKSGUPXSA-N 0 1 299.418 3.547 20 0 CHADMN CC(C)c1nc(CN(C)[C@@H](c2ccccc2)C(C)C)n[nH]1 ZINC000428246214 1123307794 /nfs/dbraw/zinc/30/77/94/1123307794.db2.gz NPISNQQALWFISS-MRXNPFEDSA-N 0 1 286.423 3.757 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC3(C2)CCCCC3)s1 ZINC000335143763 1123310034 /nfs/dbraw/zinc/31/00/34/1123310034.db2.gz SWLANTYZCRARGK-LLVKDONJSA-N 0 1 265.426 3.564 20 0 CHADMN Cc1ccc2ncc(CN3CCCC[C@@]3(C)C(N)=O)cc2c1 ZINC000335177142 1123316691 /nfs/dbraw/zinc/31/66/91/1123316691.db2.gz JVJIUVADAHHEHP-SFHVURJKSA-N 0 1 297.402 3.823 20 0 CHADMN CC1=C[C@H](C)CN([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000335232504 1123325952 /nfs/dbraw/zinc/32/59/52/1123325952.db2.gz USFSSHSVZXRZID-GXTWGEPZSA-N 0 1 283.375 3.696 20 0 CHADMN C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2ccc(C3CC3)cc2)C1 ZINC000623207453 1123328970 /nfs/dbraw/zinc/32/89/70/1123328970.db2.gz UVCAYHRUZQRDJH-BDJLRTHQSA-N 0 1 295.386 3.592 20 0 CHADMN CC(=O)Nc1ccccc1CN1CC[C@@H]1c1ccccc1 ZINC000442720764 1123336405 /nfs/dbraw/zinc/33/64/05/1123336405.db2.gz LRUXUISGPPRQNS-GOSISDBHSA-N 0 1 280.371 3.592 20 0 CHADMN CCc1nn(C)cc1CN[C@@H](C)c1ccccc1SC ZINC000442782531 1123337866 /nfs/dbraw/zinc/33/78/66/1123337866.db2.gz ROJCEVQNJQQAPO-LBPRGKRZSA-N 0 1 289.448 3.555 20 0 CHADMN CC[C@]1(C)CN([C@H](C)c2ccc(OC(F)F)cc2)CCO1 ZINC000442869502 1123345044 /nfs/dbraw/zinc/34/50/44/1123345044.db2.gz BJISAHNYQVNALF-MLGOLLRUSA-N 0 1 299.361 3.850 20 0 CHADMN FC(F)(F)c1cc(CN2CCC3(CCCC3)CC2)[nH]n1 ZINC000442879285 1123345867 /nfs/dbraw/zinc/34/58/67/1123345867.db2.gz IQKYSXGKQDMNMT-UHFFFAOYSA-N 0 1 287.329 3.585 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1cncc(C)c1)[C@@H]2C ZINC000442900848 1123348660 /nfs/dbraw/zinc/34/86/60/1123348660.db2.gz QEMRDRBJBGHNPX-LSDHHAIUSA-N 0 1 296.414 3.906 20 0 CHADMN Cc1cccc([C@@H]2C[C@H]2c2nc([C@H](N)CC(C)C)no2)c1 ZINC000634555211 1129116759 /nfs/dbraw/zinc/11/67/59/1129116759.db2.gz DCFPCIKZGZTGIJ-RRFJBIMHSA-N 0 1 285.391 3.695 20 0 CHADMN Cc1ccc2occ(Cc3nc([C@H](N)CC(C)C)no3)c2c1 ZINC000634555407 1129116766 /nfs/dbraw/zinc/11/67/66/1129116766.db2.gz JSGCZUBGJJYQAC-CQSZACIVSA-N 0 1 299.374 3.761 20 0 CHADMN CCCN1CCC[C@@H]1c1nc(-c2ccc(CC)cc2)no1 ZINC000443100311 1123357884 /nfs/dbraw/zinc/35/78/84/1123357884.db2.gz FGXQIAGMSBCWRY-OAHLLOKOSA-N 0 1 285.391 3.846 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cncc(F)c1)CCS2 ZINC000335344911 1123362235 /nfs/dbraw/zinc/36/22/35/1123362235.db2.gz LKGAVYLLYAIOIS-AWEZNQCLSA-N 0 1 292.354 3.687 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1CN(C)Cc1nccs1 ZINC000191076205 1123364550 /nfs/dbraw/zinc/36/45/50/1123364550.db2.gz NIMFFBJPGBDPCE-STQMWFEESA-N 0 1 250.411 3.567 20 0 CHADMN Cc1cc(C)cc(-c2noc(CN3[C@@H](C)CC[C@@H]3C)n2)c1 ZINC000443208913 1123364648 /nfs/dbraw/zinc/36/46/48/1123364648.db2.gz CYEQCTUXFMZICN-KBPBESRZSA-N 0 1 285.391 3.726 20 0 CHADMN Cc1ccc(F)cc1-c1noc(CN2[C@H](C)CC[C@H]2C)n1 ZINC000443217341 1123365490 /nfs/dbraw/zinc/36/54/90/1123365490.db2.gz PLVFRAQAQXCRHL-VXGBXAGGSA-N 0 1 289.354 3.557 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN(CCOC(F)F)C2CC2)o1 ZINC000851711999 1123374724 /nfs/dbraw/zinc/37/47/24/1123374724.db2.gz ICIZRXOHTPERBJ-ZWNOBZJWSA-N 0 1 285.334 3.607 20 0 CHADMN C[C@H](N[C@@H]1CCCc2cc(N)ccc21)c1ccncc1F ZINC000335481419 1123377315 /nfs/dbraw/zinc/37/73/15/1123377315.db2.gz RVNCKDGBEOHKPT-APPDUMDISA-N 0 1 285.366 3.531 20 0 CHADMN CC(C)[C@@H](N)c1cc(-c2ccc(Br)cc2)no1 ZINC000302389155 1123380636 /nfs/dbraw/zinc/38/06/36/1123380636.db2.gz QMCNEYRKOYNLFU-CYBMUJFWSA-N 0 1 295.180 3.760 20 0 CHADMN Fc1ccc([C@H]2CCCCN2CCOC(F)F)cc1 ZINC000851800331 1123382373 /nfs/dbraw/zinc/38/23/73/1123382373.db2.gz ZMRSDISXHAVLQE-CYBMUJFWSA-N 0 1 273.298 3.592 20 0 CHADMN CC[C@](C)(NCc1cccc(F)n1)c1ccccc1 ZINC000851902399 1123387645 /nfs/dbraw/zinc/38/76/45/1123387645.db2.gz QDPVQFIDCFEBGS-INIZCTEOSA-N 0 1 258.340 3.636 20 0 CHADMN FC(F)OCCN1CC=C(c2cccc(Cl)c2)CC1 ZINC000852003573 1123392843 /nfs/dbraw/zinc/39/28/43/1123392843.db2.gz VJQRHQCZGHTDHX-UHFFFAOYSA-N 0 1 287.737 3.668 20 0 CHADMN Clc1ncccc1CN1CCC[C@@H](c2ccccn2)C1 ZINC000852084902 1123395441 /nfs/dbraw/zinc/39/54/41/1123395441.db2.gz ZPGKWONAVSJNSN-CYBMUJFWSA-N 0 1 287.794 3.510 20 0 CHADMN ClC(Cl)=CCN1CCC[C@@]2(CCSC2)C1 ZINC000852146352 1123398250 /nfs/dbraw/zinc/39/82/50/1123398250.db2.gz MWROIDJQAOFIJB-LLVKDONJSA-N 0 1 266.237 3.525 20 0 CHADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C/C=C/Cl ZINC000852128294 1123398449 /nfs/dbraw/zinc/39/84/49/1123398449.db2.gz KLBKHPJXSWYJGJ-SWTNXBIASA-N 0 1 284.190 3.962 20 0 CHADMN CC(C)(C)O[C@H]1C[C@H](NCc2cc(C3CC3)no2)C1(C)C ZINC000852165093 1123399559 /nfs/dbraw/zinc/39/95/59/1123399559.db2.gz ZBIDMZNFMHPXBU-GJZGRUSLSA-N 0 1 292.423 3.624 20 0 CHADMN CCCCn1cc(CN[C@@H](C)c2cccc(O)c2)c(C)n1 ZINC000442864282 1123400848 /nfs/dbraw/zinc/40/08/48/1123400848.db2.gz GABNXPQESPRRCB-ZDUSSCGKSA-N 0 1 287.407 3.548 20 0 CHADMN C[C@H](C(=O)Nc1ccccc1Cl)N1CCCCCCC1 ZINC000008338820 1123405632 /nfs/dbraw/zinc/40/56/32/1123405632.db2.gz USSQUBWEOOEWGX-CYBMUJFWSA-N 0 1 294.826 3.933 20 0 CHADMN COc1ccc([C@@H]2CCCN2CCC(=O)C(C)C)cc1F ZINC000852518806 1123407996 /nfs/dbraw/zinc/40/79/96/1123407996.db2.gz OSVXWPWZIMDFEM-HNNXBMFYSA-N 0 1 293.382 3.586 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1ccsc1Br ZINC000388969548 1123417294 /nfs/dbraw/zinc/41/72/94/1123417294.db2.gz VMHZWPRHINOHBW-MRVPVSSYSA-N 0 1 274.227 3.741 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000335723786 1123417938 /nfs/dbraw/zinc/41/79/38/1123417938.db2.gz MAINOOANXGJBMY-NWDGAFQWSA-N 0 1 291.345 3.629 20 0 CHADMN CCCCc1cc(=O)n(Cc2cccc(Cl)c2)[nH]1 ZINC000634604942 1129120576 /nfs/dbraw/zinc/12/05/76/1129120576.db2.gz WMUZKAMTXDSAIA-UHFFFAOYSA-N 0 1 264.756 3.619 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3c[nH]nc32)ccc1Cl ZINC000335749073 1123422612 /nfs/dbraw/zinc/42/26/12/1123422612.db2.gz LHDGZPVVGXLXRZ-AWEZNQCLSA-N 0 1 275.783 3.539 20 0 CHADMN CC(C)n1cncc1CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000853095490 1123423943 /nfs/dbraw/zinc/42/39/43/1123423943.db2.gz YYCVOMYASVYUMN-CQSZACIVSA-N 0 1 299.418 3.640 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cccc3c1OCO3)CC2 ZINC000113310449 1123425116 /nfs/dbraw/zinc/42/51/16/1123425116.db2.gz QLQUVOLMYJUNKL-INIZCTEOSA-N 0 1 281.355 3.501 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)n1[nH]c(C2(C)CC2)cc1=O ZINC000634601132 1129120916 /nfs/dbraw/zinc/12/09/16/1129120916.db2.gz DBQSLUKGJLSFIM-JTQLQIEISA-N 0 1 276.767 3.789 20 0 CHADMN Cc1nnsc1CN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000293640056 1129120983 /nfs/dbraw/zinc/12/09/83/1129120983.db2.gz KRZUHRQIHSOQSD-NSHDSACASA-N 0 1 287.432 3.576 20 0 CHADMN CCC[C@H](CC1CCCCC1)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853220729 1123428460 /nfs/dbraw/zinc/42/84/60/1123428460.db2.gz PDFBQCNEESAHBL-GXTWGEPZSA-N 0 1 293.411 3.796 20 0 CHADMN CC(C)(C(=O)NOC/C=C/c1ccccc1)c1ccccc1 ZINC000111190935 1123429224 /nfs/dbraw/zinc/42/92/24/1123429224.db2.gz CUGDCIICUOHXOR-FMIVXFBMSA-N 0 1 295.382 3.725 20 0 CHADMN C[C@@H]1CC[C@H]2C(=O)N(Cc3cccc(Cl)c3Cl)N=C12 ZINC000634623691 1129121422 /nfs/dbraw/zinc/12/14/22/1129121422.db2.gz MPHLBRKQRJQEJV-PSASIEDQSA-N 0 1 297.185 3.738 20 0 CHADMN C[C@@H]1CCc2c(=O)n(Cc3cccc(Cl)c3Cl)[nH]c21 ZINC000634623691 1129121423 /nfs/dbraw/zinc/12/14/23/1129121423.db2.gz MPHLBRKQRJQEJV-PSASIEDQSA-N 0 1 297.185 3.738 20 0 CHADMN Cc1nc2c(s1)[C@H](N(C)Cc1cccc(C)n1)CCC2 ZINC000335800684 1123435736 /nfs/dbraw/zinc/43/57/36/1123435736.db2.gz STCGADCQPVICRJ-OAHLLOKOSA-N 0 1 287.432 3.664 20 0 CHADMN FC(F)(F)CCCCN1CCOC2(CCCCC2)C1 ZINC000443611131 1123443466 /nfs/dbraw/zinc/44/34/66/1123443466.db2.gz UPNFUFMEOAFQRW-UHFFFAOYSA-N 0 1 279.346 3.754 20 0 CHADMN C[C@H](N[C@H]1CCCOc2ccc(F)cc21)c1ccncc1 ZINC000335843760 1123446203 /nfs/dbraw/zinc/44/62/03/1123446203.db2.gz HRTFREXVXVTMBB-LRDDRELGSA-N 0 1 286.350 3.785 20 0 CHADMN Cc1nc2c(n1Cc1cncc(C(F)(F)F)c1)CCCC2 ZINC000853706720 1123448166 /nfs/dbraw/zinc/44/81/66/1123448166.db2.gz OJNJGIKJIJFKFZ-UHFFFAOYSA-N 0 1 295.308 3.532 20 0 CHADMN Cc1cc([C@H]2CCC[N@H+]2CCCCC(F)(F)F)on1 ZINC000443619345 1123448864 /nfs/dbraw/zinc/44/88/64/1123448864.db2.gz GTHFUCMARNMWQM-LLVKDONJSA-N 0 1 276.302 3.853 20 0 CHADMN Cc1cc([C@H]2CCCN2CCCCC(F)(F)F)on1 ZINC000443619345 1123448865 /nfs/dbraw/zinc/44/88/65/1123448865.db2.gz GTHFUCMARNMWQM-LLVKDONJSA-N 0 1 276.302 3.853 20 0 CHADMN Cc1cnc([C@H](C)N2CCC[C@H]2c2cccs2)cn1 ZINC000335876854 1123453085 /nfs/dbraw/zinc/45/30/85/1123453085.db2.gz ZVBJQOJIMSDXAU-JSGCOSHPSA-N 0 1 273.405 3.745 20 0 CHADMN Cc1ccoc1CNCc1ccc(Br)cc1C ZINC000395140730 1123455273 /nfs/dbraw/zinc/45/52/73/1123455273.db2.gz YDAPERFTNRVRSS-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN [O-]c1cccc(C[NH2+][C@@H]2CCCC(F)(F)C2)c1Cl ZINC000335889347 1123459467 /nfs/dbraw/zinc/45/94/67/1123459467.db2.gz OUSTYQDBIJJSGO-SNVBAGLBSA-N 0 1 275.726 3.713 20 0 CHADMN CCCc1noc(CN2CCC[C@@H]2Cc2ccc(C)cc2)n1 ZINC000113517905 1123459925 /nfs/dbraw/zinc/45/99/25/1123459925.db2.gz ZSUQZVIYBFNXBT-MRXNPFEDSA-N 0 1 299.418 3.538 20 0 CHADMN COc1cccc(-c2csc(CN[C@H]3C=CCC3)n2)c1 ZINC000895338388 1123461175 /nfs/dbraw/zinc/46/11/75/1123461175.db2.gz QWDOVURETCSHFC-ZDUSSCGKSA-N 0 1 286.400 3.627 20 0 CHADMN Clc1ccccc1O[C@H]1CCN([C@@H]2C=CCCC2)C1 ZINC000443654690 1123462211 /nfs/dbraw/zinc/46/22/11/1123462211.db2.gz XURDMGSHUKIPPS-KGLIPLIRSA-N 0 1 277.795 3.902 20 0 CHADMN Cc1ccnc(NC2CC3(C2)CO[C@H](C)C3)c1C1CC1 ZINC000895347516 1123462588 /nfs/dbraw/zinc/46/25/88/1123462588.db2.gz IAXOYZBVOYFSSJ-RFSCMCKOSA-N 0 1 272.392 3.637 20 0 CHADMN Cc1ccnc(NC2CC3(C2)CO[C@@H](C)C3)c1C1CC1 ZINC000895347440 1123463758 /nfs/dbraw/zinc/46/37/58/1123463758.db2.gz IAXOYZBVOYFSSJ-MKQDKFQKSA-N 0 1 272.392 3.637 20 0 CHADMN CC1(C)CCC(C(=O)Nc2cccc(-c3cn[nH]n3)c2)CC1 ZINC000443665097 1123466521 /nfs/dbraw/zinc/46/65/21/1123466521.db2.gz GXOWPRDEHXHGOK-UHFFFAOYSA-N 0 1 298.390 3.627 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2c2ccc(C(C)C)cc2)n[nH]1 ZINC000428288106 1123467349 /nfs/dbraw/zinc/46/73/49/1123467349.db2.gz GDDWEBLRKJAPPL-MRXNPFEDSA-N 0 1 284.407 3.574 20 0 CHADMN Cc1nc(CN2CCC[C@H]2c2ccc(C(C)C)cc2)n[nH]1 ZINC000428288103 1123467881 /nfs/dbraw/zinc/46/78/81/1123467881.db2.gz GDDWEBLRKJAPPL-INIZCTEOSA-N 0 1 284.407 3.574 20 0 CHADMN C[C@@H]1CCN[C@H](c2nc(-c3cc(Cl)ccc3F)no2)C1 ZINC001211880939 1123469466 /nfs/dbraw/zinc/46/94/66/1123469466.db2.gz UISKWEYBLCNHQS-PELKAZGASA-N 0 1 295.745 3.590 20 0 CHADMN CCc1ccc(CNCc2ccc(Br)cc2)o1 ZINC000051721524 1123469546 /nfs/dbraw/zinc/46/95/46/1123469546.db2.gz WKDNUHRCOFHQGA-UHFFFAOYSA-N 0 1 294.192 3.894 20 0 CHADMN Cc1n[nH]c(C)c1CN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000535775971 1123470023 /nfs/dbraw/zinc/47/00/23/1123470023.db2.gz RBYJQKOXZDHRAX-UHFFFAOYSA-N 0 1 285.435 3.956 20 0 CHADMN CC(C)c1cccc(-c2nc([C@@H](N)C(C)C)no2)c1 ZINC000854133119 1123470252 /nfs/dbraw/zinc/47/02/52/1123470252.db2.gz STYQXAKFIIAQSK-ZDUSSCGKSA-N 0 1 259.353 3.516 20 0 CHADMN CC[C@@H](NC)c1nc(-c2ccc3[nH]c(C)c(C)c3c2)no1 ZINC000854138083 1123470874 /nfs/dbraw/zinc/47/08/74/1123470874.db2.gz UCSFNGMYLSRQSU-CYBMUJFWSA-N 0 1 284.363 3.505 20 0 CHADMN CC[C@H](O)c1cccc(-c2ccc(F)c(CN(C)C)c2)c1 ZINC000854197260 1123474832 /nfs/dbraw/zinc/47/48/32/1123474832.db2.gz DNNLIHHWMUMOFG-SFHVURJKSA-N 0 1 287.378 3.998 20 0 CHADMN C[C@H](N[C@H]1CCc2cc(N)ccc21)c1cccnc1Cl ZINC000854227580 1123478891 /nfs/dbraw/zinc/47/88/91/1123478891.db2.gz WFVJHKQMOUHRIP-BONVTDFDSA-N 0 1 287.794 3.655 20 0 CHADMN CC(C)c1ccccc1OCCC(=O)NOc1ccccc1 ZINC000854537669 1123489142 /nfs/dbraw/zinc/48/91/42/1123489142.db2.gz YIOFONQHMDOPCD-UHFFFAOYSA-N 0 1 299.370 3.689 20 0 CHADMN FC(F)(F)c1nc(CNC[C@@H]2CC[C@H]3C[C@H]3C2)cs1 ZINC000895560135 1123491993 /nfs/dbraw/zinc/49/19/93/1123491993.db2.gz FWSZINZNYWTUQW-KXUCPTDWSA-N 0 1 290.354 3.688 20 0 CHADMN FC[C@@H]1CCN(Cc2ccc(CSC(F)F)o2)C1 ZINC000895574972 1123493361 /nfs/dbraw/zinc/49/33/61/1123493361.db2.gz QZKRKBILONWAHK-VIFPVBQESA-N 0 1 279.327 3.527 20 0 CHADMN C[C@@H](CCNC1(c2ncccn2)CCC1)c1ccccc1 ZINC000895623218 1123498322 /nfs/dbraw/zinc/49/83/22/1123498322.db2.gz PUGZGENYVADPDX-HNNXBMFYSA-N 0 1 281.403 3.639 20 0 CHADMN CC(C)CC[C@H]1CC[C@@H](NCc2nc(C(F)F)no2)C1 ZINC000895724478 1123508205 /nfs/dbraw/zinc/50/82/05/1123508205.db2.gz GIJRBHIWHMMPKJ-WDEREUQCSA-N 0 1 287.354 3.702 20 0 CHADMN FCCC1CCN(Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000895739525 1123510089 /nfs/dbraw/zinc/51/00/89/1123510089.db2.gz FYUCBCURAPXZSM-UHFFFAOYSA-N 0 1 285.794 3.512 20 0 CHADMN Cc1ncc(CN(C)Cc2ccc3ccccc3c2)cn1 ZINC000338969053 1123510410 /nfs/dbraw/zinc/51/04/10/1123510410.db2.gz NDOGCLMNMLOUEQ-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN CC(C)c1ccc(CCN[C@H](C)c2ncco2)cc1 ZINC000895766302 1123510593 /nfs/dbraw/zinc/51/05/93/1123510593.db2.gz RKSCMVRZOKFYRC-CYBMUJFWSA-N 0 1 258.365 3.691 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000634697614 1129126247 /nfs/dbraw/zinc/12/62/47/1129126247.db2.gz NGSVHGSSQKGEDA-LLVKDONJSA-N 0 1 281.396 3.654 20 0 CHADMN FC(F)(F)c1nc(CNCC[C@H]2CCCS2)cs1 ZINC000895769326 1123512490 /nfs/dbraw/zinc/51/24/90/1123512490.db2.gz BFIQQLOJCTZNDC-SECBINFHSA-N 0 1 296.383 3.537 20 0 CHADMN OCc1ccc(CN(Cc2ccc(Cl)cc2)C2CC2)o1 ZINC000130106760 1123518127 /nfs/dbraw/zinc/51/81/27/1123518127.db2.gz ZOELDUNYHIMJNA-UHFFFAOYSA-N 0 1 291.778 3.590 20 0 CHADMN Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2O)cc1F ZINC000474437279 1123530215 /nfs/dbraw/zinc/53/02/15/1123530215.db2.gz HLIDYGVCHKTUSR-UHFFFAOYSA-N 0 1 297.688 3.885 20 0 CHADMN Cc1ccc(CC(=O)Nc2cc(F)cc(Cl)c2O)cc1 ZINC000474440458 1123531388 /nfs/dbraw/zinc/53/13/88/1123531388.db2.gz SVPLNWSUNOAHPZ-UHFFFAOYSA-N 0 1 293.725 3.674 20 0 CHADMN CCC[C@H](C)CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000474444336 1123531420 /nfs/dbraw/zinc/53/14/20/1123531420.db2.gz HHHSDDMIDFLWSC-QMMMGPOBSA-N 0 1 273.735 3.950 20 0 CHADMN CCc1cccc(F)c1CNCc1ccccc1COC ZINC000474459751 1123532410 /nfs/dbraw/zinc/53/24/10/1123532410.db2.gz KJQJTSJZRAMHIT-UHFFFAOYSA-N 0 1 287.378 3.824 20 0 CHADMN CCC[C@H](Sc1nc2ccc(C)cc2[nH]1)C(=O)OCC ZINC000115895783 1123544097 /nfs/dbraw/zinc/54/40/97/1123544097.db2.gz BJIOKMJUPDGIIB-ZDUSSCGKSA-N 0 1 292.404 3.695 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000543707165 1123550965 /nfs/dbraw/zinc/55/09/65/1123550965.db2.gz FCDNWYPDBAQANH-WPRPVWTQSA-N 0 1 285.338 3.811 20 0 CHADMN Cc1ncc([C@H](C)NCc2cc(F)ccc2C)s1 ZINC000631224301 1123558279 /nfs/dbraw/zinc/55/82/79/1123558279.db2.gz SQSHWPGZSCRHHV-JTQLQIEISA-N 0 1 264.369 3.750 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1cc(C(=O)[O-])co1)C1CCCCC1 ZINC000530174494 1123565247 /nfs/dbraw/zinc/56/52/47/1123565247.db2.gz YLBLQNAIEXPGQA-GFCCVEGCSA-N 0 1 279.380 3.626 20 0 CHADMN CCCc1ccc(CNCc2cccnc2F)s1 ZINC000856782968 1123568370 /nfs/dbraw/zinc/56/83/70/1123568370.db2.gz IRAIVYZPDKWZQR-UHFFFAOYSA-N 0 1 264.369 3.525 20 0 CHADMN CCc1nc(C(C)C)ccc1CN1CCSC[C@@H]1C ZINC000339001845 1123581154 /nfs/dbraw/zinc/58/11/54/1123581154.db2.gz STXDPVKPGHUUSE-ZDUSSCGKSA-N 0 1 278.465 3.705 20 0 CHADMN C[C@@H](NC1CCCCCC1)c1nc(C(C)(C)C)no1 ZINC000179149607 1123598197 /nfs/dbraw/zinc/59/81/97/1123598197.db2.gz QZHQJHGVHIGDEX-LLVKDONJSA-N 0 1 265.401 3.741 20 0 CHADMN COc1ccc(CN2CCC[C@H](C)C2)c(Cl)c1OC ZINC000157716541 1129132531 /nfs/dbraw/zinc/13/25/31/1129132531.db2.gz ILVGGGWVSGEYBG-NSHDSACASA-N 0 1 283.799 3.589 20 0 CHADMN CCc1cccc(F)c1CNCc1cc(F)cc(OC)c1 ZINC000474878485 1123606562 /nfs/dbraw/zinc/60/65/62/1123606562.db2.gz NSPWGOXYNGAOQQ-UHFFFAOYSA-N 0 1 291.341 3.826 20 0 CHADMN CC(C)CN(Cc1cnn(C2CCC2)c1)Cc1ccccn1 ZINC000896660851 1123609348 /nfs/dbraw/zinc/60/93/48/1123609348.db2.gz DSSSPFMYZPTEFI-UHFFFAOYSA-N 0 1 298.434 3.661 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2cccs2)c(OC)c1 ZINC000157795657 1129133004 /nfs/dbraw/zinc/13/30/04/1129133004.db2.gz MJMDDGSSUXNTDG-LBPRGKRZSA-N 0 1 291.416 3.958 20 0 CHADMN Cc1nc(C[N@H+](C)C[C@H]2CCCC[C@H]2C)cs1 ZINC000346187542 1123668702 /nfs/dbraw/zinc/66/87/02/1123668702.db2.gz WXQDVWSTGLWJID-DGCLKSJQSA-N 0 1 252.427 3.710 20 0 CHADMN Cc1nc(CN(C)C[C@H]2CCCC[C@H]2C)cs1 ZINC000346187542 1123668704 /nfs/dbraw/zinc/66/87/04/1123668704.db2.gz WXQDVWSTGLWJID-DGCLKSJQSA-N 0 1 252.427 3.710 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2cccs2)c(OC)c1 ZINC000157795747 1129133149 /nfs/dbraw/zinc/13/31/49/1129133149.db2.gz MJMDDGSSUXNTDG-GFCCVEGCSA-N 0 1 291.416 3.958 20 0 CHADMN Fc1cccc(Br)c1CN1CC[C@H]2CCC[C@@H]21 ZINC000474931674 1123613755 /nfs/dbraw/zinc/61/37/55/1123613755.db2.gz HYVMJPGBRFAXKX-YGRLFVJLSA-N 0 1 298.199 3.963 20 0 CHADMN Fc1cccc(Br)c1CN1CC[C@@H]2CCC[C@@H]21 ZINC000474931668 1123614296 /nfs/dbraw/zinc/61/42/96/1123614296.db2.gz HYVMJPGBRFAXKX-HZMBPMFUSA-N 0 1 298.199 3.963 20 0 CHADMN c1csc([C@H](N[C@@H]2CCCc3c[nH]nc32)C2CC2)c1 ZINC000857847357 1123621077 /nfs/dbraw/zinc/62/10/77/1123621077.db2.gz ZCPMGIMYHAOGAN-IUODEOHRSA-N 0 1 273.405 3.590 20 0 CHADMN C[C@H](N[C@H]1CCCc2cn[nH]c21)c1c(F)cccc1Cl ZINC000857857178 1123622272 /nfs/dbraw/zinc/62/22/72/1123622272.db2.gz BCGXYZYVUKJACG-ZANVPECISA-N 0 1 293.773 3.930 20 0 CHADMN Fc1cccc2c1CCC[C@H]2N[C@H]1CCCc2c[nH]nc21 ZINC000857868166 1123622919 /nfs/dbraw/zinc/62/29/19/1123622919.db2.gz QBSDBNGIYXZUPE-CVEARBPZSA-N 0 1 285.366 3.593 20 0 CHADMN CC(C)(C)Oc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000857861024 1123622938 /nfs/dbraw/zinc/62/29/38/1123622938.db2.gz PMRNHPYIRGBBKG-MRXNPFEDSA-N 0 1 299.418 3.754 20 0 CHADMN CC(C)Oc1cccc(N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000857868634 1123623145 /nfs/dbraw/zinc/62/31/45/1123623145.db2.gz YKUAVBJRNVDLIM-OAHLLOKOSA-N 0 1 271.364 3.686 20 0 CHADMN Fc1cccc(C2(N[C@@H]3CCCc4c[nH]nc43)CCC2)c1 ZINC000857872455 1123624091 /nfs/dbraw/zinc/62/40/91/1123624091.db2.gz NCXMGXNJOKVCID-OAHLLOKOSA-N 0 1 285.366 3.595 20 0 CHADMN c1ccc2c(c1)CC[C@@H]2CCN1Cc2ccncc2C1 ZINC000857881945 1123624591 /nfs/dbraw/zinc/62/45/91/1123624591.db2.gz KJXFBPNBVNVLQE-OAHLLOKOSA-N 0 1 264.372 3.517 20 0 CHADMN CC1(C)CCC[C@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000329577492 1123626167 /nfs/dbraw/zinc/62/61/67/1123626167.db2.gz KHGPVZSTSUEZAN-NSHDSACASA-N 0 1 282.347 3.907 20 0 CHADMN Cc1cc(CN[C@H]2CCc3ccc(Cl)nc32)cc(C)n1 ZINC000857916594 1123627025 /nfs/dbraw/zinc/62/70/25/1123627025.db2.gz RBKPBXKCJHFOFC-AWEZNQCLSA-N 0 1 287.794 3.524 20 0 CHADMN FCCN1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000759348775 1123630194 /nfs/dbraw/zinc/63/01/94/1123630194.db2.gz SSMKHAPNHJIUHH-KRWDZBQOSA-N 0 1 255.336 3.604 20 0 CHADMN C[C@H](NCc1ccnc(F)c1)c1cccc(OC(F)F)c1 ZINC000858098305 1123631089 /nfs/dbraw/zinc/63/10/89/1123631089.db2.gz KHZIEEJAVYXDMP-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN CC(C)COc1ccc(CNCc2ccnc(F)c2)cc1 ZINC000858101887 1123631930 /nfs/dbraw/zinc/63/19/30/1123631930.db2.gz JOQUBHZTZXKMPY-UHFFFAOYSA-N 0 1 288.366 3.545 20 0 CHADMN CC(C)O[C@H](CN1CCC[C@H]1c1ncc[nH]1)c1ccccc1 ZINC000428306163 1123632051 /nfs/dbraw/zinc/63/20/51/1123632051.db2.gz OAIXTLTWDRZNEI-DLBZAZTESA-N 0 1 299.418 3.713 20 0 CHADMN CC(C)(NCc1ccnc(F)c1)c1ccc(Cl)cc1 ZINC000858124970 1123633417 /nfs/dbraw/zinc/63/34/17/1123633417.db2.gz VUZNZLSMTXSCLP-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN Fc1cc(CN[C@H]2CCc3cc(Cl)ccc32)ccn1 ZINC000858117786 1123633634 /nfs/dbraw/zinc/63/36/34/1123633634.db2.gz BMTXHMASLNSOQK-AWEZNQCLSA-N 0 1 276.742 3.651 20 0 CHADMN Fc1cc(CNC2(c3cccc(Cl)c3)CC2)ccn1 ZINC000858144220 1123634477 /nfs/dbraw/zinc/63/44/77/1123634477.db2.gz JRWZUQULQQHLLD-UHFFFAOYSA-N 0 1 276.742 3.653 20 0 CHADMN CC(C)[C@H](NCc1ccnc(F)c1)c1ccc(F)cc1F ZINC000858150043 1123635233 /nfs/dbraw/zinc/63/52/33/1123635233.db2.gz FJLLRSHWIKFCKY-INIZCTEOSA-N 0 1 294.320 3.986 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)cc1)c1ccnn1C ZINC000192249055 1123637902 /nfs/dbraw/zinc/63/79/02/1123637902.db2.gz IIUCXGASBTYPRL-WDEREUQCSA-N 0 1 297.324 3.851 20 0 CHADMN CCCCCN(Cc1nnc(CC)[nH]1)[C@@H](C)CCC ZINC000475019013 1123639798 /nfs/dbraw/zinc/63/97/98/1123639798.db2.gz QTJWILZOHFXRPT-ZDUSSCGKSA-N 0 1 266.433 3.548 20 0 CHADMN CC[C@H](NCc1cn(C)nc1Cl)c1cc(C)ccc1C ZINC000858296702 1123642582 /nfs/dbraw/zinc/64/25/82/1123642582.db2.gz YHRMZYKBMCSACL-HNNXBMFYSA-N 0 1 291.826 3.931 20 0 CHADMN COc1ccccc1/C=C\CN[C@@H](C)c1ccns1 ZINC000858317039 1123644345 /nfs/dbraw/zinc/64/43/45/1123644345.db2.gz FJKYGRIKTFTLLJ-HWPRWLFBSA-N 0 1 274.389 3.516 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCO[C@H](C2CC2)C1 ZINC000443859441 1123645190 /nfs/dbraw/zinc/64/51/90/1123645190.db2.gz SMDNRULJAOZJCA-HNNXBMFYSA-N 0 1 299.336 3.625 20 0 CHADMN Fc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)cn1 ZINC000858321079 1123645570 /nfs/dbraw/zinc/64/55/70/1123645570.db2.gz RFOQBBGAKVJXMM-CQSZACIVSA-N 0 1 276.742 3.651 20 0 CHADMN CC1(C)CC[C@H](c2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000329709330 1123647591 /nfs/dbraw/zinc/64/75/91/1123647591.db2.gz LNTDAIOZMFMUIM-NSHDSACASA-N 0 1 282.347 3.907 20 0 CHADMN Cc1cccc(C)c1CN[C@H]1CCCc2scnc21 ZINC000858380958 1123648695 /nfs/dbraw/zinc/64/86/95/1123648695.db2.gz LLJCCTJWQVZHSZ-AWEZNQCLSA-N 0 1 272.417 3.927 20 0 CHADMN CCC[C@H](NCc1ccn(C)n1)c1cc(C)sc1C ZINC000858384004 1123649482 /nfs/dbraw/zinc/64/94/82/1123649482.db2.gz AZTZNTDSSMZODK-HNNXBMFYSA-N 0 1 277.437 3.729 20 0 CHADMN CC1(C)CN(Cc2ncc(C3CC3)o2)[C@@H]2CCC[C@H]21 ZINC000335909609 1123651685 /nfs/dbraw/zinc/65/16/85/1123651685.db2.gz XUXYHDGNWHPCII-CHWSQXEVSA-N 0 1 260.381 3.563 20 0 CHADMN Cc1csc([C@@H](C)N[C@@H](C)[C@@H](O)c2ccc(C)cc2)n1 ZINC000858416169 1123651968 /nfs/dbraw/zinc/65/19/68/1123651968.db2.gz KCSZYCKRGSPEGZ-GZBFAFLISA-N 0 1 290.432 3.533 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@@](C)(c3ccccc3)C2)s1 ZINC000335913038 1123656883 /nfs/dbraw/zinc/65/68/83/1123656883.db2.gz CWEWFTNDHGFZMY-BLLLJJGKSA-N 0 1 287.432 3.571 20 0 CHADMN CCCOc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1F ZINC000858570688 1123663227 /nfs/dbraw/zinc/66/32/27/1123663227.db2.gz NWDRFZIQBOOKGN-CQSZACIVSA-N 0 1 289.354 3.827 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2ccc3ccccc3n2)s1 ZINC000346101081 1123664471 /nfs/dbraw/zinc/66/44/71/1123664471.db2.gz NSWXDBVJVWWKIP-NSHDSACASA-N 0 1 283.400 3.851 20 0 CHADMN CCc1nc(C)c([C@@H](C)N[C@@H](C)c2ccns2)s1 ZINC000858576762 1123664837 /nfs/dbraw/zinc/66/48/37/1123664837.db2.gz MHQJUMAXJGBCDN-DTWKUNHWSA-N 0 1 281.450 3.882 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCc3ccc(Cl)cc32)n(C)n1 ZINC000858582165 1123665834 /nfs/dbraw/zinc/66/58/34/1123665834.db2.gz NITWBZBDGIPNFV-XHDPSFHLSA-N 0 1 289.810 3.720 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c(O)cccc21)c1ccns1 ZINC000858578438 1123666062 /nfs/dbraw/zinc/66/60/62/1123666062.db2.gz ZVQQIAUBWDQHGU-GXFFZTMASA-N 0 1 274.389 3.577 20 0 CHADMN Cc1cc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc2cccnc12 ZINC000346135037 1123668355 /nfs/dbraw/zinc/66/83/55/1123668355.db2.gz GLTZLPVSLDIQEE-CQSZACIVSA-N 0 1 284.403 3.543 20 0 CHADMN Cc1cc(CN2C[C@@H](C)OC(C)(C)C2)cc2cccnc12 ZINC000346135037 1123668359 /nfs/dbraw/zinc/66/83/59/1123668359.db2.gz GLTZLPVSLDIQEE-CQSZACIVSA-N 0 1 284.403 3.543 20 0 CHADMN CCc1cnc(CN2CCC[C@H](CC)CC2)s1 ZINC000346192119 1123671373 /nfs/dbraw/zinc/67/13/73/1123671373.db2.gz CZLCOMXSAVTWOH-LBPRGKRZSA-N 0 1 252.427 3.718 20 0 CHADMN Fc1cc(CN(Cc2ccco2)C2CCCC2)ccn1 ZINC000859079725 1123683551 /nfs/dbraw/zinc/68/35/51/1123683551.db2.gz STUZFFQVRXJEDT-UHFFFAOYSA-N 0 1 274.339 3.759 20 0 CHADMN CCCN(Cc1ccc(OC)cc1)Cc1ccnc(F)c1 ZINC000859098836 1123684246 /nfs/dbraw/zinc/68/42/46/1123684246.db2.gz REXXDWXUBUMTEC-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN Clc1cccc(COc2ccccc2-c2nnc[nH]2)c1 ZINC000158108910 1129138786 /nfs/dbraw/zinc/13/87/86/1129138786.db2.gz SVHOEUQUCRONAE-UHFFFAOYSA-N 0 1 285.734 3.704 20 0 CHADMN CCCCC[C@H](NCc1cncc(OC)n1)c1ccccc1 ZINC000859229939 1123691933 /nfs/dbraw/zinc/69/19/33/1123691933.db2.gz QRLGEIFEPAGFTM-KRWDZBQOSA-N 0 1 299.418 3.896 20 0 CHADMN Fc1cc(CN2CCC[C@@H]2/C=C/c2ccccc2)ccn1 ZINC000859242953 1123692254 /nfs/dbraw/zinc/69/22/54/1123692254.db2.gz QNMBPMIVRLEXOI-KBOKABMXSA-N 0 1 282.362 3.899 20 0 CHADMN C[C@H](NCc1ccc(F)cn1)c1ccc2c(c1)CCC2 ZINC000346531840 1123692448 /nfs/dbraw/zinc/69/24/48/1123692448.db2.gz FFRZCDAIJWPGHQ-LBPRGKRZSA-N 0 1 270.351 3.560 20 0 CHADMN CCN(Cc1cc(Cl)n(C)n1)[C@H](C)Cc1ccsc1 ZINC000859261422 1123693302 /nfs/dbraw/zinc/69/33/02/1123693302.db2.gz NQABZAJILAUMDC-LLVKDONJSA-N 0 1 297.855 3.588 20 0 CHADMN Fc1cc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)ccn1 ZINC000859314152 1123695274 /nfs/dbraw/zinc/69/52/74/1123695274.db2.gz PHGZIXBJQHPZPB-MRXNPFEDSA-N 0 1 270.351 3.600 20 0 CHADMN CCCN(CC(=O)c1cccn1C)[C@@H]1CCc2ccccc21 ZINC000346590460 1123695831 /nfs/dbraw/zinc/69/58/31/1123695831.db2.gz GIJVFQOJLHMVKV-QGZVFWFLSA-N 0 1 296.414 3.607 20 0 CHADMN CCCc1occc1-c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000346596598 1123696812 /nfs/dbraw/zinc/69/68/12/1123696812.db2.gz GQIQIKLWPQEFLA-UHFFFAOYSA-N 0 1 294.314 3.825 20 0 CHADMN COC(C)(C)CCN[C@H](C)c1nc(C2CCCCC2)no1 ZINC000346576606 1123697105 /nfs/dbraw/zinc/69/71/05/1123697105.db2.gz SKDHFPIPONZDLL-GFCCVEGCSA-N 0 1 295.427 3.583 20 0 CHADMN FC1(F)CC12C[C@H]1CC[C@@H](C2)N1CC=C(Cl)Cl ZINC000859430276 1123697833 /nfs/dbraw/zinc/69/78/33/1123697833.db2.gz QDQJDYOIBOBOQR-SLHIUPAKSA-N 0 1 282.161 3.958 20 0 CHADMN C[C@H]1CC=CC[C@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000346581861 1123697946 /nfs/dbraw/zinc/69/79/46/1123697946.db2.gz KLKSVPIPHNDFCH-CMPLNLGQSA-N 0 1 280.331 3.683 20 0 CHADMN COc1cccc(C2=CCN(Cc3cccc(C)n3)CC2)c1 ZINC000346645679 1123701351 /nfs/dbraw/zinc/70/13/51/1123701351.db2.gz PUMOTOXZQJXIML-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN COc1ccc(C2(N[C@H](C)c3cnccc3C)CC2)cc1 ZINC000346742600 1123710767 /nfs/dbraw/zinc/71/07/67/1123710767.db2.gz MSUOXIBMVMJRFX-CQSZACIVSA-N 0 1 282.387 3.739 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000859815614 1123711656 /nfs/dbraw/zinc/71/16/56/1123711656.db2.gz QXXLHEQWTRZZES-JZXOWHBKSA-N 0 1 293.451 3.946 20 0 CHADMN CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C)c2C)CC1 ZINC000522712479 1123719602 /nfs/dbraw/zinc/71/96/02/1123719602.db2.gz RPBFTVYUOJFYIE-INIZCTEOSA-N 0 1 288.435 3.754 20 0 CHADMN CC[C@H]1CCCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000522712479 1123719604 /nfs/dbraw/zinc/71/96/04/1123719604.db2.gz RPBFTVYUOJFYIE-INIZCTEOSA-N 0 1 288.435 3.754 20 0 CHADMN CC1(C)CCc2ccccc2[C@@H](NCc2ncc[nH]2)C1 ZINC000281674626 1123735061 /nfs/dbraw/zinc/73/50/61/1123735061.db2.gz LXETVQIPIZZFLC-HNNXBMFYSA-N 0 1 269.392 3.603 20 0 CHADMN COc1ccc(C)cc1CN1CCC[C@H]1c1cccnc1 ZINC000346966668 1123738188 /nfs/dbraw/zinc/73/81/88/1123738188.db2.gz JQGDAKBLNCJNOA-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cncc(F)c2)C1(CC)CC ZINC000346982735 1123738678 /nfs/dbraw/zinc/73/86/78/1123738678.db2.gz NYQBZRUEDZDCMS-JKSUJKDBSA-N 0 1 294.414 3.636 20 0 CHADMN CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000346982501 1123738710 /nfs/dbraw/zinc/73/87/10/1123738710.db2.gz MMRAEJKTKSHFCF-GOSISDBHSA-N 0 1 282.387 3.817 20 0 CHADMN Cc1cc(F)ccc1CN1CCC[C@@H]1c1cccnc1 ZINC000346991255 1123739984 /nfs/dbraw/zinc/73/99/84/1123739984.db2.gz UCMUHVPSOLCBHS-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1nc(C)c(CN[C@@H](c2cncc(F)c2)C2CC2)s1 ZINC000281728591 1123742606 /nfs/dbraw/zinc/74/26/06/1123742606.db2.gz UYQFQMPXVOMDTO-OAHLLOKOSA-N 0 1 291.395 3.535 20 0 CHADMN CCN(Cc1c(C)nc2ccccn21)Cc1cccc(F)c1 ZINC000158233337 1129142265 /nfs/dbraw/zinc/14/22/65/1129142265.db2.gz QWXWMMFRYUEOKL-UHFFFAOYSA-N 0 1 297.377 3.804 20 0 CHADMN CCN(Cc1ccccc1Br)C(C)C ZINC000042338451 1123783284 /nfs/dbraw/zinc/78/32/84/1123783284.db2.gz YZPDVLHFSJXDJF-UHFFFAOYSA-N 0 1 256.187 3.679 20 0 CHADMN Cc1cccc2nc(CCC(=O)N3CCCCC[C@@H]3C)[nH]c21 ZINC000336272646 1123754889 /nfs/dbraw/zinc/75/48/89/1123754889.db2.gz BWPKUQVULUVQIF-AWEZNQCLSA-N 0 1 299.418 3.595 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)N1CCC(C)(C)CC1 ZINC000336319919 1123760413 /nfs/dbraw/zinc/76/04/13/1123760413.db2.gz GEAHSMAKRLDEML-NSHDSACASA-N 0 1 291.420 3.981 20 0 CHADMN Cc1cncc([C@H](C)N[C@@H]2CCOc3c(F)cccc32)c1 ZINC000336348465 1123763941 /nfs/dbraw/zinc/76/39/41/1123763941.db2.gz HFMIUTZQDLBBRU-BLLLJJGKSA-N 0 1 286.350 3.704 20 0 CHADMN Cc1cc(Cl)nc(CNCc2ccc(C)c(C)c2)c1 ZINC000281991714 1123767148 /nfs/dbraw/zinc/76/71/48/1123767148.db2.gz LKPZGXNQFQXXLM-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cccc(C)c1Cl ZINC000336388597 1123767404 /nfs/dbraw/zinc/76/74/04/1123767404.db2.gz BTYALSZAIFPOFS-UHFFFAOYSA-N 0 1 299.708 3.870 20 0 CHADMN Fc1ccc(-c2nc(CN3CCCCCC3)co2)cc1F ZINC000103226112 1123783536 /nfs/dbraw/zinc/78/35/36/1123783536.db2.gz HYVXAIJZMUVZES-UHFFFAOYSA-N 0 1 292.329 3.996 20 0 CHADMN CSc1ccccc1CN(C)Cc1cccc(O)c1 ZINC000358053261 1123786400 /nfs/dbraw/zinc/78/64/00/1123786400.db2.gz UVMXHUWTJDUIRG-UHFFFAOYSA-N 0 1 273.401 3.746 20 0 CHADMN CSc1ccccc1C[N@@H+](C)Cc1cccc(O)c1 ZINC000358053261 1123786397 /nfs/dbraw/zinc/78/63/97/1123786397.db2.gz UVMXHUWTJDUIRG-UHFFFAOYSA-N 0 1 273.401 3.746 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cccc(Cl)n2)cc1 ZINC000173448337 1123791364 /nfs/dbraw/zinc/79/13/64/1123791364.db2.gz WPXKQFPMBLXGGR-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN CCN(Cc1cccs1)Cc1ccnc(F)c1C ZINC000862211718 1123792043 /nfs/dbraw/zinc/79/20/43/1123792043.db2.gz BIFDGHDYTCBQRB-UHFFFAOYSA-N 0 1 264.369 3.613 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1ccnc(Cl)c1 ZINC000195409980 1129145668 /nfs/dbraw/zinc/14/56/68/1129145668.db2.gz WCVUVNIHNNLVTI-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2ccnc(F)c2C)cc1 ZINC000862215588 1123792770 /nfs/dbraw/zinc/79/27/70/1123792770.db2.gz LTRWKCKFMWKFQR-ZDUSSCGKSA-N 0 1 288.366 3.731 20 0 CHADMN CCOc1cccc([C@H](C)NCc2ccnc(F)c2C)c1 ZINC000862274532 1123797253 /nfs/dbraw/zinc/79/72/53/1123797253.db2.gz QQYAVDOOTMEAHY-ZDUSSCGKSA-N 0 1 288.366 3.779 20 0 CHADMN CSc1ccc(F)cc1CNCc1ccnc(F)c1C ZINC000862286244 1123798072 /nfs/dbraw/zinc/79/80/72/1123798072.db2.gz RYCFBHQKAOIQQR-UHFFFAOYSA-N 0 1 294.370 3.680 20 0 CHADMN Cc1c(CN2C[C@H](C)C[C@@H]2c2cccnc2)ccnc1F ZINC000862326025 1123799914 /nfs/dbraw/zinc/79/99/14/1123799914.db2.gz IHFNRGKHFBIVIJ-MLGOLLRUSA-N 0 1 285.366 3.507 20 0 CHADMN c1cn2c(n1)[C@@H](N[C@@H](c1ccccc1)C1CCC1)CCC2 ZINC000655708353 1123802880 /nfs/dbraw/zinc/80/28/80/1123802880.db2.gz HUSOFBZSVHEKPI-IRXDYDNUSA-N 0 1 281.403 3.849 20 0 CHADMN Cc1cc([C@H](C)N[C@H](c2ccccc2)C(C)C)nn1C ZINC000281993111 1123806919 /nfs/dbraw/zinc/80/69/19/1123806919.db2.gz CNLBPQLEYYLVAF-YOEHRIQHSA-N 0 1 271.408 3.776 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1CN1CCc2cc(Cl)nnc2C1 ZINC000862399311 1123807054 /nfs/dbraw/zinc/80/70/54/1123807054.db2.gz ZGNCGCOGJGXVNE-TZMCWYRMSA-N 0 1 293.842 3.705 20 0 CHADMN CCN(Cc1nn(-c2ccccc2)c2c1CCC2)C1CCC1 ZINC000532583576 1123807291 /nfs/dbraw/zinc/80/72/91/1123807291.db2.gz URQYEFLZBAUCRH-UHFFFAOYSA-N 0 1 295.430 3.735 20 0 CHADMN Cc1c(F)nccc1CN1CCC(c2ccco2)CC1 ZINC000862408798 1123807666 /nfs/dbraw/zinc/80/76/66/1123807666.db2.gz HRSFBZWCUNBUEC-UHFFFAOYSA-N 0 1 274.339 3.502 20 0 CHADMN Cc1c(CN2CCC[C@@H](CC(F)(F)F)C2)ccnc1F ZINC000862396722 1123807838 /nfs/dbraw/zinc/80/78/38/1123807838.db2.gz XIQRQGHQDXLGPC-NSHDSACASA-N 0 1 290.304 3.694 20 0 CHADMN CC(C)c1ncc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)s1 ZINC000862444324 1123811637 /nfs/dbraw/zinc/81/16/37/1123811637.db2.gz VMPZISHMHVGGJX-GHMZBOCLSA-N 0 1 288.407 3.990 20 0 CHADMN FCC[C@H]1CN(Cc2ccccc2-c2ccccc2)CCO1 ZINC000862530798 1123816695 /nfs/dbraw/zinc/81/66/95/1123816695.db2.gz TVLXHEMGWQTCBB-SFHVURJKSA-N 0 1 299.389 3.914 20 0 CHADMN CCCC[N@@H+](C)Cc1sccc1Br ZINC000043501850 1123819566 /nfs/dbraw/zinc/81/95/66/1123819566.db2.gz CYQRMCMSFFTCPK-UHFFFAOYSA-N 0 1 262.216 3.743 20 0 CHADMN CCCCN(C)Cc1sccc1Br ZINC000043501850 1123819573 /nfs/dbraw/zinc/81/95/73/1123819573.db2.gz CYQRMCMSFFTCPK-UHFFFAOYSA-N 0 1 262.216 3.743 20 0 CHADMN C/C=C\C[C@@H]1CCCN(Cc2coc(C3CC3)n2)C1 ZINC000862551050 1123819476 /nfs/dbraw/zinc/81/94/76/1123819476.db2.gz QHGCYBJAOYIQPS-XQJDBVBESA-N 0 1 260.381 3.730 20 0 CHADMN COc1ccccc1/C=C/CN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000475285296 1123833913 /nfs/dbraw/zinc/83/39/13/1123833913.db2.gz GKYDOLNSIBQZLC-COWJPUMTSA-N 0 1 299.336 3.981 20 0 CHADMN C[C@@H](NCc1nc(C2CCCC2)no1)C1CCCCC1 ZINC000182689353 1123859852 /nfs/dbraw/zinc/85/98/52/1123859852.db2.gz JCVCYIJNYYPZFT-GFCCVEGCSA-N 0 1 277.412 3.786 20 0 CHADMN Cc1ccccc1SC[C@H](C)CSc1cn[nH]n1 ZINC000863308110 1123860744 /nfs/dbraw/zinc/86/07/44/1123860744.db2.gz CGIXMQMJJWBORH-JTQLQIEISA-N 0 1 279.434 3.634 20 0 CHADMN Cc1cc(CNCc2cc3ccccc3[nH]2)c(C)o1 ZINC000119408998 1123862665 /nfs/dbraw/zinc/86/26/65/1123862665.db2.gz OFEVSVXMQXZGKJ-UHFFFAOYSA-N 0 1 254.333 3.668 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cc3ccccc3s2)nn1 ZINC000396563980 1123864405 /nfs/dbraw/zinc/86/44/05/1123864405.db2.gz LERWLZJKNVFKJA-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1cccc(CNCc2cc(F)ccc2F)c1C ZINC000083446768 1129150333 /nfs/dbraw/zinc/15/03/33/1129150333.db2.gz RINATKAWFFXHPR-UHFFFAOYSA-N 0 1 261.315 3.871 20 0 CHADMN CCSc1ccc([C@@H](C)Nc2ncnc3[nH]cnc32)cc1 ZINC000301215809 1123882172 /nfs/dbraw/zinc/88/21/72/1123882172.db2.gz XTDCHUBBFXZWGT-SNVBAGLBSA-N 0 1 299.403 3.638 20 0 CHADMN COCCCCCNc1ccnc2cc(F)ccc21 ZINC000301287391 1123888334 /nfs/dbraw/zinc/88/83/34/1123888334.db2.gz SAZXAYSHAWKQFN-UHFFFAOYSA-N 0 1 262.328 3.603 20 0 CHADMN Cc1cc(Cl)ccc1N1N=C2CCCC[C@H]2C1=O ZINC000863851516 1123900321 /nfs/dbraw/zinc/90/03/21/1123900321.db2.gz YXVXBNBGKBKMBX-LLVKDONJSA-N 0 1 262.740 3.541 20 0 CHADMN Cc1cc(Cl)ccc1-n1[nH]c2c(c1=O)CCCC2 ZINC000863851516 1123900323 /nfs/dbraw/zinc/90/03/23/1123900323.db2.gz YXVXBNBGKBKMBX-LLVKDONJSA-N 0 1 262.740 3.541 20 0 CHADMN Cc1cnc([C@H](Nc2nc(C(C)C)no2)C2CC2)s1 ZINC000301519831 1123908652 /nfs/dbraw/zinc/90/86/52/1123908652.db2.gz HJXNSGNIZHTMOT-SNVBAGLBSA-N 0 1 278.381 3.521 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC000621284097 1129158174 /nfs/dbraw/zinc/15/81/74/1129158174.db2.gz IDOMIDDZJSHMHH-CYBMUJFWSA-N 0 1 252.789 3.603 20 0 CHADMN FCCC1CCN(c2ccncc2C(F)(F)F)CC1 ZINC000864089280 1123916939 /nfs/dbraw/zinc/91/69/39/1123916939.db2.gz OMLINDCSTCMMSR-UHFFFAOYSA-N 0 1 276.277 3.676 20 0 CHADMN Cc1ccnc(NCCCc2nc3c(s2)CCCC3)c1 ZINC000301620235 1123918036 /nfs/dbraw/zinc/91/80/36/1123918036.db2.gz DVOGWJRXUPSWNE-UHFFFAOYSA-N 0 1 287.432 3.770 20 0 CHADMN Cc1[nH]c2ccccc2c1CCNc1cc(C)ccn1 ZINC000301626273 1123918539 /nfs/dbraw/zinc/91/85/39/1123918539.db2.gz HKUOMHPIUQMSKX-UHFFFAOYSA-N 0 1 265.360 3.834 20 0 CHADMN CCC[C@@H](CCO)CNc1cc(C)nc2ccc(F)cc21 ZINC000301667998 1123922055 /nfs/dbraw/zinc/92/20/55/1123922055.db2.gz MOKWWBCKLNARDN-ZDUSSCGKSA-N 0 1 290.382 3.893 20 0 CHADMN Cc1cc(N[C@@H](C)C2CCOCC2)c2cc(F)ccc2n1 ZINC000301711233 1123925956 /nfs/dbraw/zinc/92/59/56/1123925956.db2.gz KJNYWJRDHLAMPT-LBPRGKRZSA-N 0 1 288.366 3.909 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1cncc(Cl)c1 ZINC000621247917 1129154024 /nfs/dbraw/zinc/15/40/24/1129154024.db2.gz NTSHFZPFARZVSC-JTQLQIEISA-N 0 1 266.797 3.990 20 0 CHADMN FC(F)(F)c1ccc2c(c1)nccc2N[C@@H]1CCCOC1 ZINC000301785485 1123932506 /nfs/dbraw/zinc/93/25/06/1123932506.db2.gz LBHMAQPNNJBKIM-LLVKDONJSA-N 0 1 296.292 3.845 20 0 CHADMN CCC=C(F)C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000864761366 1123945037 /nfs/dbraw/zinc/94/50/37/1123945037.db2.gz HXCATZLNRAFFNB-SMJHDNPOSA-N 0 1 289.354 3.640 20 0 CHADMN Cc1cc2ccccc2c(N2CCC(n3cccn3)CC2)n1 ZINC000302071297 1123953325 /nfs/dbraw/zinc/95/33/25/1123953325.db2.gz ULUUOIWXNWSGTK-UHFFFAOYSA-N 0 1 292.386 3.581 20 0 CHADMN CC(C)[C@H](NCc1cccnc1F)c1ccccc1 ZINC000794835547 1123966531 /nfs/dbraw/zinc/96/65/31/1123966531.db2.gz MEFOJMSKSFWDBK-HNNXBMFYSA-N 0 1 258.340 3.708 20 0 CHADMN CC1(C)C[C@@H](NCc2cccnc2F)c2ccccc21 ZINC000794832954 1123966675 /nfs/dbraw/zinc/96/66/75/1123966675.db2.gz FGRLTMIFSPBANP-OAHLLOKOSA-N 0 1 270.351 3.733 20 0 CHADMN Fc1ncccc1CN[C@@H](CC1CC1)c1ccccc1 ZINC000794836438 1123971629 /nfs/dbraw/zinc/97/16/29/1123971629.db2.gz PETHSFGJZVJNDB-INIZCTEOSA-N 0 1 270.351 3.852 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@H]2NCc1cccnc1F ZINC000794836535 1123971793 /nfs/dbraw/zinc/97/17/93/1123971793.db2.gz QQTXWVVACMPLJG-IUODEOHRSA-N 0 1 270.351 3.867 20 0 CHADMN Cc1cc(N[C@@H]2C[C@H]3OCCC[C@H]23)c2cc(F)ccc2n1 ZINC000302537117 1123971882 /nfs/dbraw/zinc/97/18/82/1123971882.db2.gz GTORXCRJDLCRCS-CSMYWGQOSA-N 0 1 286.350 3.662 20 0 CHADMN CC(C)O[C@H](CN1CCO[C@H](C(C)C)C1)c1ccccc1 ZINC000428348000 1123974671 /nfs/dbraw/zinc/97/46/71/1123974671.db2.gz OHKFHOBCRZNROY-ZWKOTPCHSA-N 0 1 291.435 3.510 20 0 CHADMN Cc1ccc(CN(C)c2ccnc3cc(F)ccc32)nc1 ZINC000302686199 1123977493 /nfs/dbraw/zinc/97/74/93/1123977493.db2.gz QONSEMGBEKQESW-UHFFFAOYSA-N 0 1 281.334 3.714 20 0 CHADMN Cc1cc(N(C)CC[C@H]2CCCO2)c2cc(F)ccc2n1 ZINC000302717073 1123980101 /nfs/dbraw/zinc/98/01/01/1123980101.db2.gz NPRTULDNTUOWIX-CQSZACIVSA-N 0 1 288.366 3.688 20 0 CHADMN COc1ccc(CNCc2cccc(C)n2)cc1C(C)(C)C ZINC000865420035 1123981972 /nfs/dbraw/zinc/98/19/72/1123981972.db2.gz HREBFYCWXSUXRO-UHFFFAOYSA-N 0 1 298.430 3.986 20 0 CHADMN CCCN(CC)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000621272014 1129158755 /nfs/dbraw/zinc/15/87/55/1129158755.db2.gz SQZYRWDBKWBIMH-UHFFFAOYSA-N 0 1 279.771 3.622 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cccnc2F)s1 ZINC000794838379 1123985213 /nfs/dbraw/zinc/98/52/13/1123985213.db2.gz YMLDRXQPVXNYJK-SNVBAGLBSA-N 0 1 264.369 3.695 20 0 CHADMN CCOc1ccc(CNCc2cnc(Cl)c(F)c2)cc1 ZINC000865430804 1123984114 /nfs/dbraw/zinc/98/41/14/1123984114.db2.gz QHZVOEQTTQAPAD-UHFFFAOYSA-N 0 1 294.757 3.563 20 0 CHADMN O=c1[nH]ccc2oc(CNC3(c4ccccc4)CCC3)cc21 ZINC000865437973 1123984145 /nfs/dbraw/zinc/98/41/45/1123984145.db2.gz JRAXADBZVHWRNZ-UHFFFAOYSA-N 0 1 294.354 3.702 20 0 CHADMN COc1cccc([C@H](C)NCc2cncc(Cl)c2)c1 ZINC000621273234 1129158983 /nfs/dbraw/zinc/15/89/83/1129158983.db2.gz RGIZYQFSLGVVQS-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN Cc1c(Cl)cccc1CN[C@H]1CCCc2c[nH]nc21 ZINC000865495863 1123989404 /nfs/dbraw/zinc/98/94/04/1123989404.db2.gz QUQHBUHNRQDUCC-AWEZNQCLSA-N 0 1 275.783 3.539 20 0 CHADMN Cc1c(Cl)cccc1CN[C@@H](CO)c1ccsc1 ZINC000865531986 1123992200 /nfs/dbraw/zinc/99/22/00/1123992200.db2.gz VJFCJGJTGQWRTO-AWEZNQCLSA-N 0 1 281.808 3.533 20 0 CHADMN c1cn(C2CC2)c(NCc2ccccc2C2CC2)n1 ZINC000840887619 1123999052 /nfs/dbraw/zinc/99/90/52/1123999052.db2.gz QIBURMPTXVDZGK-UHFFFAOYSA-N 0 1 253.349 3.708 20 0 CHADMN F[C@@H]1CCCC[C@@H]1NCc1nccc2ccccc21 ZINC000865699434 1124005881 /nfs/dbraw/zinc/00/58/81/1124005881.db2.gz QIWBXRKLHLAKFR-CABCVRRESA-N 0 1 258.340 3.605 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cnc(Cl)c(C)c2)s1 ZINC000865703235 1124006551 /nfs/dbraw/zinc/00/65/51/1124006551.db2.gz WIUCEUFJSKHFDR-SECBINFHSA-N 0 1 281.812 3.659 20 0 CHADMN C[C@H](NCc1coc(C2CC2)n1)[C@@]12C[C@@H]1CCCC2 ZINC000865704229 1124006669 /nfs/dbraw/zinc/00/66/69/1124006669.db2.gz QFBMZBKRPXRYHE-DETPVDSQSA-N 0 1 260.381 3.610 20 0 CHADMN Cc1[nH]ncc1CNc1cccc2c1OC(C)(C)C=C2 ZINC000865735051 1124008845 /nfs/dbraw/zinc/00/88/45/1124008845.db2.gz BPQNYKJHGUUZOZ-UHFFFAOYSA-N 0 1 269.348 3.514 20 0 CHADMN CS[C@H]1C[C@H](NCc2csc(-c3ccsc3)n2)C1 ZINC000865734156 1124009133 /nfs/dbraw/zinc/00/91/33/1124009133.db2.gz LGFZTGHQMIUWRS-UMSPYCQHSA-N 0 1 296.486 3.855 20 0 CHADMN CC(C)c1cnc(CNC(C)(C)[C@H]2CCCCO2)s1 ZINC000865745018 1124009875 /nfs/dbraw/zinc/00/98/75/1124009875.db2.gz DDXMACOIGNZITR-CYBMUJFWSA-N 0 1 282.453 3.704 20 0 CHADMN C[C@H](Nc1ccc2cnccc2c1)[C@H]1CCCCO1 ZINC000653465991 1124011813 /nfs/dbraw/zinc/01/18/13/1124011813.db2.gz VDOOJWPVCGQGNE-BLLLJJGKSA-N 0 1 256.349 3.604 20 0 CHADMN Cc1nc2ccccn2c1CNCc1ccc(C(C)(C)C)o1 ZINC000865814008 1124016366 /nfs/dbraw/zinc/01/63/66/1124016366.db2.gz FDAZGKLOUDRJEK-UHFFFAOYSA-N 0 1 297.402 3.823 20 0 CHADMN FC(F)(F)[C@@H]1CC=CC[C@H]1NCc1ccc(Cl)o1 ZINC000865831855 1124018427 /nfs/dbraw/zinc/01/84/27/1124018427.db2.gz ADOSFYZGXVLFDV-NXEZZACHSA-N 0 1 279.689 3.920 20 0 CHADMN C[C@@H](NCc1ccc(SC(F)F)cc1)c1ccnn1C ZINC000865839483 1124020933 /nfs/dbraw/zinc/02/09/33/1124020933.db2.gz XYRFRHCRNPFWAE-SNVBAGLBSA-N 0 1 297.374 3.586 20 0 CHADMN CC1(CC(F)(F)F)CN(c2ccncc2C(F)(F)F)C1 ZINC000865864033 1124022357 /nfs/dbraw/zinc/02/23/57/1124022357.db2.gz HQDNRZGSWLLHRG-UHFFFAOYSA-N 0 1 298.230 3.879 20 0 CHADMN Cc1ccc(CN(Cc2ccnc(C)c2)CC2CC2)cn1 ZINC000621311612 1129161353 /nfs/dbraw/zinc/16/13/53/1129161353.db2.gz RGOWTVCRDUWCCU-UHFFFAOYSA-N 0 1 281.403 3.506 20 0 CHADMN COc1ccc(CN2CCCC[C@@H]2c2ccccc2)nc1 ZINC000338306267 1124027049 /nfs/dbraw/zinc/02/70/49/1124027049.db2.gz UEQWZUCGLJZQIU-GOSISDBHSA-N 0 1 282.387 3.817 20 0 CHADMN C[C@@H]1CCN(Cc2cc(Br)cs2)[C@@H]1C ZINC000307717023 1124029293 /nfs/dbraw/zinc/02/92/93/1124029293.db2.gz IUFGGRMNZYCZQL-RKDXNWHRSA-N 0 1 274.227 3.741 20 0 CHADMN C[C@@H](NCCCCc1cccc(Cl)c1)c1csnn1 ZINC000621302088 1129162183 /nfs/dbraw/zinc/16/21/83/1129162183.db2.gz RNXUNMURVCBUFZ-LLVKDONJSA-N 0 1 295.839 3.865 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CC[C@@H]2CSC[C@@H]2C1 ZINC000866203294 1124037682 /nfs/dbraw/zinc/03/76/82/1124037682.db2.gz KGEIUHKTKQBCMI-NEPJUHHUSA-N 0 1 288.391 3.563 20 0 CHADMN Cc1cccc(CN(C)Cc2cncc(Cl)c2)c1C ZINC000621297730 1129162491 /nfs/dbraw/zinc/16/24/91/1129162491.db2.gz YUUOGPRZZZLYLV-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccncc1F)CCC2 ZINC000336225922 1124042772 /nfs/dbraw/zinc/04/27/72/1124042772.db2.gz CVDROGLIFUFAIQ-INIZCTEOSA-N 0 1 274.314 3.527 20 0 CHADMN Fc1cnccc1CN[C@H]1CCSc2ccccc21 ZINC000336224031 1124043046 /nfs/dbraw/zinc/04/30/46/1124043046.db2.gz CCLLWKZUZYFCFR-AWEZNQCLSA-N 0 1 274.364 3.547 20 0 CHADMN CSCCCCCN[C@@H]1c2ccccc2OC[C@H]1F ZINC000866341949 1124054601 /nfs/dbraw/zinc/05/46/01/1124054601.db2.gz QFJUBSFPMZEUBI-UKRRQHHQSA-N 0 1 283.412 3.581 20 0 CHADMN OC[C@@H](N[C@H]1CCCc2c(F)cccc21)c1ccsc1 ZINC000866342540 1124054613 /nfs/dbraw/zinc/05/46/13/1124054613.db2.gz WPCHAXVAVGKCKA-JKSUJKDBSA-N 0 1 291.391 3.588 20 0 CHADMN Cc1ccc(CN[C@H](c2ccccn2)C(C)C)nc1C ZINC000866371278 1124059528 /nfs/dbraw/zinc/05/95/28/1124059528.db2.gz GTRMZKURSBRXQI-KRWDZBQOSA-N 0 1 269.392 3.580 20 0 CHADMN CCn1ccc(CN[C@H]2CCc3cccc4cccc2c43)n1 ZINC000866373924 1124059600 /nfs/dbraw/zinc/05/96/00/1124059600.db2.gz XRUVWHNMFZMMJO-SFHVURJKSA-N 0 1 291.398 3.833 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CCC[C@@H](C(C)C)C2)n1 ZINC000444753318 1124060505 /nfs/dbraw/zinc/06/05/05/1124060505.db2.gz NNIUCTPKZCUXFQ-CHWSQXEVSA-N 0 1 265.401 3.622 20 0 CHADMN CCC[C@H](NCc1cncc(OCC)c1)c1ccccn1 ZINC000621333718 1129163834 /nfs/dbraw/zinc/16/38/34/1129163834.db2.gz OFVRXHZDXZRWIZ-INIZCTEOSA-N 0 1 285.391 3.506 20 0 CHADMN Clc1cccc([C@@H]2CCCCN2CCn2cccn2)c1 ZINC000444806896 1124063742 /nfs/dbraw/zinc/06/37/42/1124063742.db2.gz VMKGRMFHAQXCTG-INIZCTEOSA-N 0 1 289.810 3.764 20 0 CHADMN CC(C)[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccc(F)cn1 ZINC000866450108 1124067192 /nfs/dbraw/zinc/06/71/92/1124067192.db2.gz OEUHJBCIRFJTHF-GUTXKFCHSA-N 0 1 268.351 3.788 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@H]2NCc1ccnc(F)c1 ZINC000866474662 1124069526 /nfs/dbraw/zinc/06/95/26/1124069526.db2.gz YVOKYFGHAWYIHL-OAHLLOKOSA-N 0 1 286.350 3.533 20 0 CHADMN Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccnc(F)c1 ZINC000866473370 1124069626 /nfs/dbraw/zinc/06/96/26/1124069626.db2.gz MWUTUHLXTVUMJF-SNVBAGLBSA-N 0 1 293.411 3.960 20 0 CHADMN CCc1cnc(CN[C@@H]2CCc3cccc(C)c32)s1 ZINC000925162491 1124070265 /nfs/dbraw/zinc/07/02/65/1124070265.db2.gz HFCQAKLFNIJEIN-CQSZACIVSA-N 0 1 272.417 3.791 20 0 CHADMN Cc1nccnc1CN[C@@H](CC(C)C)c1cccs1 ZINC000621330707 1129164284 /nfs/dbraw/zinc/16/42/84/1129164284.db2.gz YYHWYHIGKBKMLQ-ZDUSSCGKSA-N 0 1 275.421 3.724 20 0 CHADMN CCCc1nc(C)c(CN(CCC)C[C@H]2CCCCO2)o1 ZINC000428385085 1124071191 /nfs/dbraw/zinc/07/11/91/1124071191.db2.gz DRLPLJAVQREMAY-OAHLLOKOSA-N 0 1 294.439 3.717 20 0 CHADMN CCN(Cc1n[nH]c(C(C)C)n1)c1cccc(C)c1C ZINC000428397336 1124080040 /nfs/dbraw/zinc/08/00/40/1124080040.db2.gz JLXGQMKSVTZEMD-UHFFFAOYSA-N 0 1 272.396 3.571 20 0 CHADMN CCCc1ccc(CN[C@@H](CO)c2cccc(F)c2)s1 ZINC000621336434 1129165134 /nfs/dbraw/zinc/16/51/34/1129165134.db2.gz YFUHHAZJOYPKPS-INIZCTEOSA-N 0 1 293.407 3.663 20 0 CHADMN C[C@H](NCc1ccc(C(C)(C)C)o1)c1cccc(CO)c1 ZINC000866572704 1124084223 /nfs/dbraw/zinc/08/42/23/1124084223.db2.gz BBOKXDBSYGASSZ-ZDUSSCGKSA-N 0 1 287.403 3.920 20 0 CHADMN CCOc1cncc(CN[C@H](C)c2ccc(C)c(F)c2)c1 ZINC000621341022 1129165374 /nfs/dbraw/zinc/16/53/74/1129165374.db2.gz YRJBFVHSGWZROJ-CYBMUJFWSA-N 0 1 288.366 3.779 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@@H]1NCc1noc2cc(F)ccc12 ZINC000866611131 1124087961 /nfs/dbraw/zinc/08/79/61/1124087961.db2.gz QSPNPHYEFIRRDP-ADLMAVQZSA-N 0 1 296.345 3.990 20 0 CHADMN CCSc1ccccc1[C@H](C)N[C@@H](C)c1ccnn1C ZINC000866612010 1124088180 /nfs/dbraw/zinc/08/81/80/1124088180.db2.gz AATTXMOOBASEEU-STQMWFEESA-N 0 1 289.448 3.944 20 0 CHADMN C[C@H](N[C@H]1CCCc2cccnc21)c1cc2cnccc2o1 ZINC000866619746 1124090192 /nfs/dbraw/zinc/09/01/92/1124090192.db2.gz HYRYGAJMPMDVPM-WFASDCNBSA-N 0 1 293.370 3.951 20 0 CHADMN CCCCN1C(=O)N=NC1SCc1ccccc1CC ZINC000445567501 1124091391 /nfs/dbraw/zinc/09/13/91/1124091391.db2.gz RPTMLTDDUYECIU-UHFFFAOYSA-N 0 1 291.420 3.639 20 0 CHADMN CCCc1ccc(CN[C@H](C)c2n[nH]c(C(C)C)n2)s1 ZINC000621343031 1129165858 /nfs/dbraw/zinc/16/58/58/1129165858.db2.gz RYRSGYSNCDXVSK-LLVKDONJSA-N 0 1 292.452 3.793 20 0 CHADMN C[C@@H](CC1CC1)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000475634723 1124098884 /nfs/dbraw/zinc/09/88/84/1124098884.db2.gz KWDAWGRYVFOLGP-TVQRCGJNSA-N 0 1 288.218 3.805 20 0 CHADMN Fc1ccc2c(c1)nccc2NCC[C@H]1CC1(F)F ZINC000621345051 1129166151 /nfs/dbraw/zinc/16/61/51/1129166151.db2.gz AYNBDCPUVIZHFD-VIFPVBQESA-N 0 1 266.266 3.831 20 0 CHADMN CCC1(c2noc(-c3cc(-c4ccco4)n[nH]3)n2)CCCC1 ZINC000445790952 1124100376 /nfs/dbraw/zinc/10/03/76/1124100376.db2.gz PMNZDGHVCIVVFR-UHFFFAOYSA-N 0 1 298.346 3.942 20 0 CHADMN COC(=O)[C@H](c1ccccc1)N1CCCC2(CCCC2)C1 ZINC000445839516 1124103252 /nfs/dbraw/zinc/10/32/52/1124103252.db2.gz BZPXVAJZLNTGDF-INIZCTEOSA-N 0 1 287.403 3.557 20 0 CHADMN CC[C@@]1(C)CCN(Cc2ccn(-c3ccccc3F)n2)C1 ZINC000445821605 1124103463 /nfs/dbraw/zinc/10/34/63/1124103463.db2.gz XSLMMIHCEHQYCT-KRWDZBQOSA-N 0 1 287.382 3.633 20 0 CHADMN COc1cccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000446143016 1124110250 /nfs/dbraw/zinc/11/02/50/1124110250.db2.gz BCZKVEFNVOQNLA-UHFFFAOYSA-N 0 1 293.248 3.652 20 0 CHADMN COc1ccc(C)cc1-c1nc2cc(C)c(OC)cc2[nH]1 ZINC000446159553 1124110605 /nfs/dbraw/zinc/11/06/05/1124110605.db2.gz ZERHSECINYZTFD-UHFFFAOYSA-N 0 1 282.343 3.864 20 0 CHADMN CCc1nc(C)c(CN(C)[C@@H]2CCc3ccccc32)o1 ZINC000428439276 1124113508 /nfs/dbraw/zinc/11/35/08/1124113508.db2.gz BVSFJXHYBBFKGM-OAHLLOKOSA-N 0 1 270.376 3.665 20 0 CHADMN CCCCN(Cc1ccn(C)n1)[C@@H](C)c1ccccc1 ZINC000508565369 1124113700 /nfs/dbraw/zinc/11/37/00/1124113700.db2.gz SASLONVOHNOCLX-HNNXBMFYSA-N 0 1 271.408 3.783 20 0 CHADMN CC[C@@H]1CCN(CC(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000446712450 1124118646 /nfs/dbraw/zinc/11/86/46/1124118646.db2.gz RMSIQHDHEAKJKU-CQSZACIVSA-N 0 1 288.435 3.655 20 0 CHADMN CCC1(CC)CCN([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000446709809 1124118904 /nfs/dbraw/zinc/11/89/04/1124118904.db2.gz CIDJXNRSMDCITK-LBPRGKRZSA-N 0 1 279.428 3.940 20 0 CHADMN CCc1ccccc1CCSCc1n[nH]c(C2CC2)n1 ZINC000446705653 1124119112 /nfs/dbraw/zinc/11/91/12/1124119112.db2.gz IZKWKJIHJKGKHK-UHFFFAOYSA-N 0 1 287.432 3.720 20 0 CHADMN Cc1cc(C(=O)CN2CC[C@@H](C(C)C)C2)c(C)n1C1CC1 ZINC000446733519 1124119141 /nfs/dbraw/zinc/11/91/41/1124119141.db2.gz FGFMXUNQEGAHER-OAHLLOKOSA-N 0 1 288.435 3.600 20 0 CHADMN COc1cccc2c1CCN(Cc1ccc(C)c(OC)c1)C2 ZINC000446751712 1124121074 /nfs/dbraw/zinc/12/10/74/1124121074.db2.gz FBKPGRCACCYZNN-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN Cc1ccc(-c2nnc([C@H](C)NC3(C4CC4)CC3)o2)cc1C ZINC000544415001 1124122683 /nfs/dbraw/zinc/12/26/83/1124122683.db2.gz HNJLMUAABQDGBJ-ZDUSSCGKSA-N 0 1 297.402 3.947 20 0 CHADMN CC(C)N(Cc1nc(Cc2ccccc2)no1)CC1CCC1 ZINC000193200861 1124124671 /nfs/dbraw/zinc/12/46/71/1124124671.db2.gz UPZODRNJSJDGSW-UHFFFAOYSA-N 0 1 299.418 3.671 20 0 CHADMN CC(C)c1nc(CN(Cc2ccccc2)[C@@H](C)C2CC2)n[nH]1 ZINC000428454066 1124124886 /nfs/dbraw/zinc/12/48/86/1124124886.db2.gz HNNVHJMUYDKDNF-AWEZNQCLSA-N 0 1 298.434 3.729 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc(-n2cccn2)c1)c1ccns1 ZINC000925188817 1124127532 /nfs/dbraw/zinc/12/75/32/1124127532.db2.gz NDDHVAAXLAZKIN-CHWSQXEVSA-N 0 1 298.415 3.741 20 0 CHADMN CC(C)c1nc(CN(C)[C@@H](C)c2ccccc2Cl)n[nH]1 ZINC000428459015 1124129031 /nfs/dbraw/zinc/12/90/31/1124129031.db2.gz MCDTVNNNMGQIPC-NSHDSACASA-N 0 1 292.814 3.775 20 0 CHADMN c1cc(CCCSCc2n[nH]c(C3CC3)n2)cs1 ZINC000447048307 1124130913 /nfs/dbraw/zinc/13/09/13/1124130913.db2.gz LLXDRZCBHUBYRO-UHFFFAOYSA-N 0 1 279.434 3.610 20 0 CHADMN CCCN(Cc1n[nH]c(C(C)C)n1)[C@@H]1CCc2ccccc21 ZINC000428471278 1124134731 /nfs/dbraw/zinc/13/47/31/1124134731.db2.gz WIDKKDUSERYILQ-MRXNPFEDSA-N 0 1 298.434 3.828 20 0 CHADMN CC(C)CN(Cc1cn(C)cn1)Cc1cccc(Cl)c1 ZINC000621386892 1129171084 /nfs/dbraw/zinc/17/10/84/1129171084.db2.gz MFNIAUBUNXCQDS-UHFFFAOYSA-N 0 1 291.826 3.732 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2ccc(OC3CCCC3)cc2)[nH]1 ZINC000621473190 1129177137 /nfs/dbraw/zinc/17/71/37/1129177137.db2.gz UBRNOCOUDPUWNF-UHFFFAOYSA-N 0 1 299.374 3.600 20 0 CHADMN Cc1cc(F)cc(CN2CCC3(CC3)C2)c1Cl ZINC001238778485 1131244211 /nfs/dbraw/zinc/24/42/11/1131244211.db2.gz XXLAGPKOVTWVGV-UHFFFAOYSA-N 0 1 253.748 3.773 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CCC[C@@H](CF)C1 ZINC001238786142 1131247274 /nfs/dbraw/zinc/24/72/74/1131247274.db2.gz YGYLMSMEVNHDRW-NSHDSACASA-N 0 1 273.754 3.969 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cccn2C2CC2)c2ccccc2O1 ZINC001119282805 1131248822 /nfs/dbraw/zinc/24/88/22/1131248822.db2.gz LGBHBZMVECRMQH-CXAGYDPISA-N 0 1 282.387 3.825 20 0 CHADMN CC(C)Oc1cc(CN2CC[C@@H](C)C[C@@H]2C)c(F)cn1 ZINC001238801829 1131249270 /nfs/dbraw/zinc/24/92/70/1131249270.db2.gz HUGMVPREDFPHJO-OLZOCXBDSA-N 0 1 280.387 3.628 20 0 CHADMN CC(C)Oc1cc(CN2CCC(C(C)C)CC2)c(F)cn1 ZINC001238799799 1131250175 /nfs/dbraw/zinc/25/01/75/1131250175.db2.gz QQPPWKAQMFLYRI-UHFFFAOYSA-N 0 1 294.414 3.876 20 0 CHADMN CC[C@H]1CCCN1Cc1cc(Cl)c(OC)cc1F ZINC001238790165 1131250198 /nfs/dbraw/zinc/25/01/98/1131250198.db2.gz IZCTUPJWXIZCHT-NSHDSACASA-N 0 1 271.763 3.862 20 0 CHADMN CC(C)CCC[C@H]([NH2+]Cc1csc(C(C)C)n1)C(=O)[O-] ZINC001119549041 1131257800 /nfs/dbraw/zinc/25/78/00/1131257800.db2.gz CSLCCIPVIWJRRG-ZDUSSCGKSA-N 0 1 298.452 3.636 20 0 CHADMN Clc1cccc2c1C[C@@H](N1CCc3ccncc3C1)CC2 ZINC001170934909 1131258381 /nfs/dbraw/zinc/25/83/81/1131258381.db2.gz NZJDQFBOOLHJTN-INIZCTEOSA-N 0 1 298.817 3.651 20 0 CHADMN Cc1ccc(C[N@@H+]2CCSC[C@H]2C)c(Cl)c1 ZINC000447360365 1124468086 /nfs/dbraw/zinc/46/80/86/1124468086.db2.gz UUNGXPCEKPJKPO-LLVKDONJSA-N 0 1 255.814 3.586 20 0 CHADMN Cc1ccc(CN2CCSC[C@H]2C)c(Cl)c1 ZINC000447360365 1124468089 /nfs/dbraw/zinc/46/80/89/1124468089.db2.gz UUNGXPCEKPJKPO-LLVKDONJSA-N 0 1 255.814 3.586 20 0 CHADMN CC[C@@H](O)[C@H]1CCCCN1Cc1cc(F)ccc1Cl ZINC000525834172 1124469433 /nfs/dbraw/zinc/46/94/33/1124469433.db2.gz FJPQCTGLUHPXFD-HUUCEWRRSA-N 0 1 285.790 3.605 20 0 CHADMN COc1ncc(CN2CCCC3(CCCC3)C2)cc1Cl ZINC000525835098 1124469556 /nfs/dbraw/zinc/46/95/56/1124469556.db2.gz JAADESKMVNNEJR-UHFFFAOYSA-N 0 1 294.826 3.900 20 0 CHADMN CCC[C@@]1(COC)CCCN1Cc1ncc(C(C)(C)C)o1 ZINC000447382166 1124470281 /nfs/dbraw/zinc/47/02/81/1124470281.db2.gz IDPFVJYQDYALMG-KRWDZBQOSA-N 0 1 294.439 3.753 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@]23C[C@@H]2CCCC3)c1 ZINC000868488642 1124472386 /nfs/dbraw/zinc/47/23/86/1124472386.db2.gz ZDDFHXZGTPHERZ-SJCJKPOMSA-N 0 1 287.359 3.504 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1ccc(Cl)cn1)c1cnn(C)c1 ZINC001119708672 1131262728 /nfs/dbraw/zinc/26/27/28/1131262728.db2.gz AVEAQRZBXFLTQX-ABAIWWIYSA-N 0 1 292.814 3.516 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN1CCN(CC(F)F)CC1 ZINC000428489766 1124489213 /nfs/dbraw/zinc/48/92/13/1124489213.db2.gz XEKQFOJXLARHMT-OAHLLOKOSA-N 0 1 288.426 3.642 20 0 CHADMN CCc1cnc(CN2CC[C@H](c3ccc(F)cc3)C2)s1 ZINC000526007260 1124492194 /nfs/dbraw/zinc/49/21/94/1124492194.db2.gz LFYQRZFKPCZSBK-ZDUSSCGKSA-N 0 1 290.407 3.834 20 0 CHADMN C[C@H](NCc1ccc(C2CCC2)cc1)c1ccnn1C ZINC000447590531 1124494673 /nfs/dbraw/zinc/49/46/73/1124494673.db2.gz DGHHLZDUTBLXKY-ZDUSSCGKSA-N 0 1 269.392 3.538 20 0 CHADMN CC(C)O[C@H](CN1C[C@H](C)O[C@H](C)[C@H]1C)c1ccccc1 ZINC000428491090 1124501057 /nfs/dbraw/zinc/50/10/57/1124501057.db2.gz SGDLGWNJWCZAMO-BVIKNXMNSA-N 0 1 291.435 3.650 20 0 CHADMN C[C@H](CN[C@H](c1ncc[nH]1)c1cccnc1)C1CCCCC1 ZINC000526041341 1124504042 /nfs/dbraw/zinc/50/40/42/1124504042.db2.gz WENVVHASTMLAKE-PBHICJAKSA-N 0 1 298.434 3.700 20 0 CHADMN Cc1cc([C@@H]2CCCN2c2cc[nH+]c3c([O-])cccc23)no1 ZINC000795067644 1124505905 /nfs/dbraw/zinc/50/59/05/1124505905.db2.gz SZGJLSVAQMAVIM-HNNXBMFYSA-N 0 1 295.342 3.578 20 0 CHADMN O=c1[nH]c2ccccc2cc1-c1cc2nc[nH]c2cc1F ZINC001238884392 1131264795 /nfs/dbraw/zinc/26/47/95/1131264795.db2.gz QINALEPWHQDJRG-UHFFFAOYSA-N 0 1 279.274 3.623 20 0 CHADMN Cc1cccc(N(C)Cc2ccc3nc[nH]c3c2)c1C ZINC000526119740 1124511142 /nfs/dbraw/zinc/51/11/42/1124511142.db2.gz DCERIBWJRDFUDD-UHFFFAOYSA-N 0 1 265.360 3.816 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1cnc(C(F)(F)F)s1 ZINC000447739686 1124519501 /nfs/dbraw/zinc/51/95/01/1124519501.db2.gz FYVLBVNJVKGZGM-JTQLQIEISA-N 0 1 278.343 3.782 20 0 CHADMN CN(Cc1cnc(C(F)(F)F)s1)C1CCCC1 ZINC000447744664 1124519841 /nfs/dbraw/zinc/51/98/41/1124519841.db2.gz KZFRUOLAGGTVLH-UHFFFAOYSA-N 0 1 264.316 3.536 20 0 CHADMN CC(C)(C)[C@H]1CN([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC000447841896 1124534733 /nfs/dbraw/zinc/53/47/33/1124534733.db2.gz FTHROYXOOALUTB-HZPDHXFCSA-N 0 1 277.383 3.560 20 0 CHADMN CN(C)Cc1ccc(NCC2(C)CC2)cc1Cl ZINC000527000523 1124537106 /nfs/dbraw/zinc/53/71/06/1124537106.db2.gz CHIRPPAQVSMUMN-UHFFFAOYSA-N 0 1 252.789 3.614 20 0 CHADMN CC(C)(C)c1n[nH]c(SC[C@H]2CCC3(CCCC3)O2)n1 ZINC000527059199 1124547692 /nfs/dbraw/zinc/54/76/92/1124547692.db2.gz HXVPPRXVXYBWMW-LLVKDONJSA-N 0 1 295.452 3.686 20 0 CHADMN CC(C)(C)c1nc(SC[C@H]2CCC3(CCCC3)O2)n[nH]1 ZINC000527059199 1124547702 /nfs/dbraw/zinc/54/77/02/1124547702.db2.gz HXVPPRXVXYBWMW-LLVKDONJSA-N 0 1 295.452 3.686 20 0 CHADMN Cc1scc(-c2nc(-c3ccn4cncc4c3)no2)c1C ZINC000447953932 1124549485 /nfs/dbraw/zinc/54/94/85/1124549485.db2.gz VJLGGOGRQVGVIU-UHFFFAOYSA-N 0 1 296.355 3.730 20 0 CHADMN Cc1ccc([C@H](NCc2ccn(C)n2)C2CCCC2)cc1 ZINC000527109794 1124550192 /nfs/dbraw/zinc/55/01/92/1124550192.db2.gz PNYNTLMNBDTTED-GOSISDBHSA-N 0 1 283.419 3.750 20 0 CHADMN CCN(Cc1ccnn1-c1ccccc1)Cc1ccccc1 ZINC000448217279 1124568733 /nfs/dbraw/zinc/56/87/33/1124568733.db2.gz LBDBMRKRWOATPL-UHFFFAOYSA-N 0 1 291.398 3.894 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2ncc(C(C)(C)C)s2)C1 ZINC000448217301 1124569629 /nfs/dbraw/zinc/56/96/29/1124569629.db2.gz LFASEFVPBCLEDW-VXGBXAGGSA-N 0 1 266.454 3.919 20 0 CHADMN COc1ccccc1[C@@H](CC(C)C)N[C@H](C)c1ccnnc1 ZINC000925209896 1124577968 /nfs/dbraw/zinc/57/79/68/1124577968.db2.gz UOVYNZMHNKYIFG-RHSMWYFYSA-N 0 1 299.418 3.923 20 0 CHADMN Cc1cc(-c2cc(N(C)C)ccn2)cnc1OCC(C)C ZINC001238922241 1131270595 /nfs/dbraw/zinc/27/05/95/1131270595.db2.gz UAEHGRNOAHQCLC-UHFFFAOYSA-N 0 1 285.391 3.553 20 0 CHADMN Cc1ccoc1CN(C)Cc1cncc2ccccc21 ZINC000795178320 1124618197 /nfs/dbraw/zinc/61/81/97/1124618197.db2.gz YSEZWZCIKOWEKZ-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN CC[C@@H](C[N@H+]1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000871620629 1124620636 /nfs/dbraw/zinc/62/06/36/1124620636.db2.gz HFMQERQUWQKQTP-CVEARBPZSA-N 0 1 289.419 3.757 20 0 CHADMN Cc1conc1CSc1n[nH]c(CCC2CCCC2)n1 ZINC000871644266 1124621454 /nfs/dbraw/zinc/62/14/54/1124621454.db2.gz DPBUKHRYICCGRF-UHFFFAOYSA-N 0 1 292.408 3.516 20 0 CHADMN Cc1conc1CSc1nc(CCC2CCCC2)n[nH]1 ZINC000871644266 1124621456 /nfs/dbraw/zinc/62/14/56/1124621456.db2.gz DPBUKHRYICCGRF-UHFFFAOYSA-N 0 1 292.408 3.516 20 0 CHADMN CC(C)(C)SCSc1nc(-c2ccccc2O)n[nH]1 ZINC000871644081 1124621660 /nfs/dbraw/zinc/62/16/60/1124621660.db2.gz DUTPNMHYVDXMIO-UHFFFAOYSA-N 0 1 295.433 3.759 20 0 CHADMN CO[C@H]1C[C@@H](CSc2nc(C)c(-c3ccccc3)[nH]2)C1 ZINC000871667084 1124624419 /nfs/dbraw/zinc/62/44/19/1124624419.db2.gz XTMIXIBFKUVFRH-XBXGTLAGSA-N 0 1 288.416 3.902 20 0 CHADMN COc1cc(F)cc(CN(C)Cc2cccs2)c1 ZINC000449002389 1124628302 /nfs/dbraw/zinc/62/83/02/1124628302.db2.gz KLISPPYACFRWQP-UHFFFAOYSA-N 0 1 265.353 3.528 20 0 CHADMN CC(C)(C)SCCCOc1ccccc1-c1nnc[nH]1 ZINC000871737009 1124634088 /nfs/dbraw/zinc/63/40/88/1124634088.db2.gz HEGTZWCVXFQCIJ-UHFFFAOYSA-N 0 1 291.420 3.772 20 0 CHADMN c1coc([C@@H]2C[N@@H+](Cc3cccc4ccoc43)CCO2)c1 ZINC000449036177 1124635810 /nfs/dbraw/zinc/63/58/10/1124635810.db2.gz JGECEYNWOFCKDX-INIZCTEOSA-N 0 1 283.327 3.599 20 0 CHADMN c1coc([C@@H]2CN(Cc3cccc4ccoc43)CCO2)c1 ZINC000449036177 1124635814 /nfs/dbraw/zinc/63/58/14/1124635814.db2.gz JGECEYNWOFCKDX-INIZCTEOSA-N 0 1 283.327 3.599 20 0 CHADMN C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2ccncc2F)C1 ZINC000449034035 1124636465 /nfs/dbraw/zinc/63/64/65/1124636465.db2.gz HPYFCRBCVIZHGO-GOSISDBHSA-N 0 1 284.378 3.774 20 0 CHADMN C[C@@]1(c2ccccc2)CCCN(Cc2ccncc2F)C1 ZINC000449034035 1124636468 /nfs/dbraw/zinc/63/64/68/1124636468.db2.gz HPYFCRBCVIZHGO-GOSISDBHSA-N 0 1 284.378 3.774 20 0 CHADMN Cc1cccc(CN2CCC(OC(C)(C)C)CC2)c1F ZINC000449022767 1124639587 /nfs/dbraw/zinc/63/95/87/1124639587.db2.gz ZUUQQENVZLUOIQ-UHFFFAOYSA-N 0 1 279.399 3.914 20 0 CHADMN CN(Cc1cc(Cl)sc1Cl)C[C@H]1CCCOC1 ZINC000449020802 1124639694 /nfs/dbraw/zinc/63/96/94/1124639694.db2.gz AWVRMUUWRDVLRP-SECBINFHSA-N 0 1 294.247 3.913 20 0 CHADMN Cc1ccc(C[C@@H](C)N(C)Cc2ccncc2F)cc1 ZINC000449025289 1124639817 /nfs/dbraw/zinc/63/98/17/1124639817.db2.gz AYIPWSIYXXSHKD-CQSZACIVSA-N 0 1 272.367 3.592 20 0 CHADMN Cc1ccc(CNCc2ccnn2C2CCCC2)c(C)c1 ZINC000449086098 1124643717 /nfs/dbraw/zinc/64/37/17/1124643717.db2.gz ARMZXSYPRQOUNE-UHFFFAOYSA-N 0 1 283.419 3.905 20 0 CHADMN c1cnc2cc(CNc3ccc4c(n3)CCCC4)ccc2n1 ZINC000871865418 1124649121 /nfs/dbraw/zinc/64/91/21/1124649121.db2.gz YRAPCYJKDRFGRD-UHFFFAOYSA-N 0 1 290.370 3.516 20 0 CHADMN Clc1cccnc1CN1CCC2(CCCC2)CC1 ZINC000528385860 1124650352 /nfs/dbraw/zinc/65/03/52/1124650352.db2.gz DUFLJSIMVZZZBO-UHFFFAOYSA-N 0 1 264.800 3.891 20 0 CHADMN C[C@H](NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1c(F)cccc1F ZINC000871932423 1124653292 /nfs/dbraw/zinc/65/32/92/1124653292.db2.gz VISBGGCEEFZVJW-ASHKBJFXSA-N 0 1 281.346 3.573 20 0 CHADMN C/C(Cl)=C/CN1CCC[C@@H]1c1cccc(C)n1 ZINC000528403124 1124654087 /nfs/dbraw/zinc/65/40/87/1124654087.db2.gz BGTSFBUWHOXQFB-KOTGUFOOSA-N 0 1 250.773 3.670 20 0 CHADMN C[C@H]1CCc2c(=O)n(-c3cccc4ccccc43)[nH]c21 ZINC000871946938 1124654166 /nfs/dbraw/zinc/65/41/66/1124654166.db2.gz KQIINOKNEBSHFE-SMDDNHRTSA-N 0 1 264.328 3.589 20 0 CHADMN CC(C)CCc1cc(=O)n([C@H](C)c2ccccc2)[nH]1 ZINC000871949273 1124654631 /nfs/dbraw/zinc/65/46/31/1124654631.db2.gz VKIBXZQFDBUCQE-CYBMUJFWSA-N 0 1 258.365 3.772 20 0 CHADMN CCc1nc([C@H](C)N[C@H](C)Cc2ccoc2)cs1 ZINC000449157283 1124658145 /nfs/dbraw/zinc/65/81/45/1124658145.db2.gz PUEFMZGGXDAVOE-MNOVXSKESA-N 0 1 264.394 3.580 20 0 CHADMN CO[C@H](CN[C@@H](C)c1cccc(O)c1F)c1ccccc1 ZINC000872023947 1124659057 /nfs/dbraw/zinc/65/90/57/1124659057.db2.gz LTOUVNFNTSUWCZ-BLLLJJGKSA-N 0 1 289.350 3.570 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)NC/C=C(\C)Cl ZINC000528432363 1124660577 /nfs/dbraw/zinc/66/05/77/1124660577.db2.gz IAXKHEFRIQRKOR-OLKPEBQYSA-N 0 1 257.736 3.628 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cccc(O)c2F)cc1 ZINC000872029959 1124661773 /nfs/dbraw/zinc/66/17/73/1124661773.db2.gz WHKUSHQQOBGDOG-RYUDHWBXSA-N 0 1 289.350 3.952 20 0 CHADMN CC[C@@H](NCc1cccc(C)c1F)c1ccncc1 ZINC000449164871 1124662808 /nfs/dbraw/zinc/66/28/08/1124662808.db2.gz RQFXGIROVUESAT-OAHLLOKOSA-N 0 1 258.340 3.770 20 0 CHADMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cccnc1C(F)(F)F ZINC000528434386 1124663175 /nfs/dbraw/zinc/66/31/75/1124663175.db2.gz ZJVCAIAZOFZIDE-CMPLNLGQSA-N 0 1 272.314 3.863 20 0 CHADMN COc1cccc2c1CC[C@@H]2NCc1cccc(C)c1F ZINC000449191419 1124664042 /nfs/dbraw/zinc/66/40/42/1124664042.db2.gz SGBQAUVANWYGOA-INIZCTEOSA-N 0 1 285.362 3.920 20 0 CHADMN Cc1cccc(CN[C@H](c2cnn(C)c2)C(C)(C)C)c1F ZINC000449178991 1124665115 /nfs/dbraw/zinc/66/51/15/1124665115.db2.gz UTIBUPMVEBGZSP-MRXNPFEDSA-N 0 1 289.398 3.745 20 0 CHADMN C/C(Cl)=C\CN1CCN([C@H](C)c2ccsc2)CC1 ZINC000528452180 1124671892 /nfs/dbraw/zinc/67/18/92/1124671892.db2.gz RGMABDIBDMNGMA-ACDNVWSCSA-N 0 1 284.856 3.569 20 0 CHADMN C/C(Cl)=C\CN1CCC(c2ncc(C)s2)CC1 ZINC000528475002 1124674890 /nfs/dbraw/zinc/67/48/90/1124674890.db2.gz JRQUEJKAPHWDMB-XCVCLJGOSA-N 0 1 270.829 3.774 20 0 CHADMN C[C@@H](NC[C@]1(C)CC1(Cl)Cl)c1cc(O)ccc1F ZINC000872076912 1124676371 /nfs/dbraw/zinc/67/63/71/1124676371.db2.gz VKDLWHBREAEPST-PELKAZGASA-N 0 1 292.181 3.766 20 0 CHADMN CC[C@@H](NCc1noc(-c2ccccc2C)n1)C1CCC1 ZINC000449260843 1124684223 /nfs/dbraw/zinc/68/42/23/1124684223.db2.gz YTVKETGJEQJBIF-OAHLLOKOSA-N 0 1 285.391 3.713 20 0 CHADMN c1c[nH]c([C@@H](NCCC[C@H]2C=CCC2)c2ccccc2)n1 ZINC000872107121 1124685203 /nfs/dbraw/zinc/68/52/03/1124685203.db2.gz KGUZUEOENDYREM-RDJZCZTQSA-N 0 1 281.403 3.835 20 0 CHADMN CCC[C@H](NCc1ccc2oc(=O)[nH]c2c1)c1ccccn1 ZINC000872122669 1124689566 /nfs/dbraw/zinc/68/95/66/1124689566.db2.gz HLBQXRAFDHHVIB-ZDUSSCGKSA-N 0 1 297.358 3.559 20 0 CHADMN COc1cc(C)ccc1CN1CCC[C@@H]1c1cccnc1 ZINC000449320024 1124693082 /nfs/dbraw/zinc/69/30/82/1124693082.db2.gz LSWDBSUEDAHRGT-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN COc1cc(C)ccc1CN1CCC[C@H]1c1cccnc1 ZINC000449320023 1124693254 /nfs/dbraw/zinc/69/32/54/1124693254.db2.gz LSWDBSUEDAHRGT-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN Cc1cccc(CN2CCC=C(c3ccncc3)C2)c1F ZINC000449321232 1124693729 /nfs/dbraw/zinc/69/37/29/1124693729.db2.gz ROXLKSYBDLNYCW-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN Cc1ccc(C[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)cc1C(=O)[O-] ZINC000872158719 1124696453 /nfs/dbraw/zinc/69/64/53/1124696453.db2.gz HNBZYIPNNMFXMU-FZKQIMNGSA-N 0 1 287.403 3.705 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccc(C)c(C(=O)[O-])c2)C1 ZINC000872161447 1124696461 /nfs/dbraw/zinc/69/64/61/1124696461.db2.gz TXGJPJMUXNHWOC-ABCZVMIZSA-N 0 1 287.403 3.871 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000872158626 1124696516 /nfs/dbraw/zinc/69/65/16/1124696516.db2.gz HGLYGVAOQCVORN-JTNHKYCSSA-N 0 1 279.405 3.599 20 0 CHADMN Cc1ccc(C[N@@H+](CCC2CC2)CC2CC2)cc1C(=O)[O-] ZINC000872162581 1124696630 /nfs/dbraw/zinc/69/66/30/1124696630.db2.gz SHKDXPLCFWYOFP-UHFFFAOYSA-N 0 1 287.403 3.705 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC000872161058 1124696932 /nfs/dbraw/zinc/69/69/32/1124696932.db2.gz OYLOHBOWPLOZCD-QAVQXKDTSA-N 0 1 279.405 3.625 20 0 CHADMN C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@]3(C(=O)[O-])CCC[C@H]23)C1 ZINC000872167495 1124697002 /nfs/dbraw/zinc/69/70/02/1124697002.db2.gz DOHPPWAVBNNHPT-WBTNSWJXSA-N 0 1 279.424 3.532 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@H+]([C@H](C)C(=O)[O-])C2CC2)c1 ZINC000872162782 1124697213 /nfs/dbraw/zinc/69/72/13/1124697213.db2.gz WAFHGKUXYTVDPG-CQSZACIVSA-N 0 1 297.398 3.894 20 0 CHADMN C[C@@H](C[N@@H+](CC(=O)[O-])C1CCCCC1)CC(C)(C)C ZINC000872159851 1124697296 /nfs/dbraw/zinc/69/72/96/1124697296.db2.gz QXVCAJCHBPRTHO-CYBMUJFWSA-N 0 1 269.429 3.778 20 0 CHADMN Cc1cc(CN2CCC[C@@](C)(F)C2)cc2cccnc12 ZINC000449352108 1124699177 /nfs/dbraw/zinc/69/91/77/1124699177.db2.gz SLFXAGGGSQGHAN-QGZVFWFLSA-N 0 1 272.367 3.867 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnn(C(C)C)c2)ccc1F ZINC000449372338 1124703824 /nfs/dbraw/zinc/70/38/24/1124703824.db2.gz GLVMFGARRWWHRQ-CYBMUJFWSA-N 0 1 275.371 3.762 20 0 CHADMN FCC(CF)N[C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000449378367 1124715880 /nfs/dbraw/zinc/71/58/80/1124715880.db2.gz DMUBKWFGRWFJNH-KGLIPLIRSA-N 0 1 273.754 3.873 20 0 CHADMN FCC(CF)N[C@H]1CCC[C@H]1CCc1ccccc1 ZINC000449378890 1124717509 /nfs/dbraw/zinc/71/75/09/1124717509.db2.gz GKHYZFJNLUJCJB-HOCLYGCPSA-N 0 1 267.363 3.685 20 0 CHADMN FCC(CF)N[C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000449381020 1124717608 /nfs/dbraw/zinc/71/76/08/1124717608.db2.gz QCZAPPVYRISXAE-OCCSQVGLSA-N 0 1 273.754 3.873 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1ccc(N2CCCC2)o1 ZINC001137060929 1124720716 /nfs/dbraw/zinc/72/07/16/1124720716.db2.gz JHSDNYHQWKYJLD-HNNXBMFYSA-N 0 1 296.414 3.999 20 0 CHADMN Cc1cnc(N2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)s1 ZINC000872649378 1124723308 /nfs/dbraw/zinc/72/33/08/1124723308.db2.gz ZAIKUTPKQGXZLZ-GFCCVEGCSA-N 0 1 290.436 3.682 20 0 CHADMN C[C@H](NC1CCC(OC2CCCC2)CC1)C(C)(F)F ZINC000449415330 1124724318 /nfs/dbraw/zinc/72/43/18/1124724318.db2.gz OSEZNQHLAHNLMY-DCBWTQNWSA-N 0 1 275.383 3.890 20 0 CHADMN CS[C@H]1CCN(Cc2cscc2C(F)(F)F)C1 ZINC000449444904 1124741110 /nfs/dbraw/zinc/74/11/10/1124741110.db2.gz FBHNCISYBAGVRK-VIFPVBQESA-N 0 1 281.368 3.704 20 0 CHADMN CCCCn1nc(C)c(CN2CCC[C@H]2C)c1Cl ZINC000124312671 1124732263 /nfs/dbraw/zinc/73/22/63/1124732263.db2.gz UXOKDYXDJKPLCX-LLVKDONJSA-N 0 1 269.820 3.629 20 0 CHADMN FC(F)(F)c1cccc(CN2CC[C@@H]2C2CC2)c1 ZINC000449430049 1124737763 /nfs/dbraw/zinc/73/77/63/1124737763.db2.gz YWFDIIZGYCVPRX-CYBMUJFWSA-N 0 1 255.283 3.690 20 0 CHADMN CS[C@@H]1CCN(Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000449444671 1124739194 /nfs/dbraw/zinc/73/91/94/1124739194.db2.gz CCLHJCACGCLCFT-OAHLLOKOSA-N 0 1 288.416 3.587 20 0 CHADMN CCCCOc1ncc(-c2cccc3[nH]nnc32)cc1C ZINC001238964172 1131280720 /nfs/dbraw/zinc/28/07/20/1131280720.db2.gz GUMKBDDMZHITQA-UHFFFAOYSA-N 0 1 282.347 3.507 20 0 CHADMN CSc1ccc(CN(C)[C@@H](CO)c2ccccc2)s1 ZINC000449451408 1124743246 /nfs/dbraw/zinc/74/32/46/1124743246.db2.gz IPUQQQDUQXFLIC-AWEZNQCLSA-N 0 1 293.457 3.635 20 0 CHADMN C[C@H]1CC[C@H](NCc2noc3c2CC(C)(C)CC3)CS1 ZINC000873173954 1124745779 /nfs/dbraw/zinc/74/57/79/1124745779.db2.gz FNSOKQVPFBFXCV-RYUDHWBXSA-N 0 1 294.464 3.563 20 0 CHADMN C[C@@H](NCc1ccoc1)c1ccc(C(F)(F)F)nc1 ZINC000873184842 1124746616 /nfs/dbraw/zinc/74/66/16/1124746616.db2.gz JHSZWNYOLPRHIP-SECBINFHSA-N 0 1 270.254 3.544 20 0 CHADMN CC(C)n1cc(CNc2nc3ccc(Cl)cc3[nH]2)cn1 ZINC000873188789 1124749780 /nfs/dbraw/zinc/74/97/80/1124749780.db2.gz LJNNMCIQFRSANG-UHFFFAOYSA-N 0 1 289.770 3.606 20 0 CHADMN Cc1csc(CNCc2nc3c(s2)C[C@@H](C)CC3)c1 ZINC000449473818 1124752771 /nfs/dbraw/zinc/75/27/71/1124752771.db2.gz CNOVVYONAGMGOV-JTQLQIEISA-N 0 1 292.473 3.928 20 0 CHADMN CC[C@@](C)(CNCc1csc(-c2ccsc2)n1)OC ZINC000449472243 1124752800 /nfs/dbraw/zinc/75/28/00/1124752800.db2.gz FKISWMZLOZNVKH-AWEZNQCLSA-N 0 1 296.461 3.776 20 0 CHADMN FCC1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000449461442 1124756333 /nfs/dbraw/zinc/75/63/33/1124756333.db2.gz SVFQFFAWXMJQSZ-UHFFFAOYSA-N 0 1 275.289 3.887 20 0 CHADMN FCC1CCN(Cc2cccc(Br)c2)CC1 ZINC000449461136 1124757318 /nfs/dbraw/zinc/75/73/18/1124757318.db2.gz SNUPOWNGVVEDFS-UHFFFAOYSA-N 0 1 286.188 3.631 20 0 CHADMN CCO[C@@H]1CCN(Cc2cccc(Cl)c2F)C[C@@H]1C ZINC000449492136 1124760288 /nfs/dbraw/zinc/76/02/88/1124760288.db2.gz IOAWINGESHNBHH-SMDDNHRTSA-N 0 1 285.790 3.726 20 0 CHADMN CO[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000449492538 1124761532 /nfs/dbraw/zinc/76/15/32/1124761532.db2.gz CCEYSLUDPRAIDK-RISCZKNCSA-N 0 1 287.325 3.562 20 0 CHADMN CCOc1c(Cl)cccc1CN1CC[C@@H](OC)[C@@H](C)C1 ZINC000449494518 1124762480 /nfs/dbraw/zinc/76/24/80/1124762480.db2.gz GRHFOPPRCHAEKV-SWLSCSKDSA-N 0 1 297.826 3.596 20 0 CHADMN CO[C@@H]1CCN(C/C=C\c2ccc(F)cc2F)CC1(C)C ZINC000449495724 1124770563 /nfs/dbraw/zinc/77/05/63/1124770563.db2.gz DVBGRWTZTLCNKN-YIEVGGLXSA-N 0 1 295.373 3.725 20 0 CHADMN CCO[C@H]1CCN(Cc2cc(F)cc(Cl)c2)C[C@H]1C ZINC000449497026 1124773281 /nfs/dbraw/zinc/77/32/81/1124773281.db2.gz JWVGTRYBYBHCHG-ABAIWWIYSA-N 0 1 285.790 3.726 20 0 CHADMN CCO[C@H]1CCN(Cc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000449500168 1124773438 /nfs/dbraw/zinc/77/34/38/1124773438.db2.gz UPRBZKMYZIYRTF-WFASDCNBSA-N 0 1 297.826 3.596 20 0 CHADMN CCOC[C@H]1CN([C@@H](C)c2cccc3ccccc32)CCO1 ZINC000528722688 1124773549 /nfs/dbraw/zinc/77/35/49/1124773549.db2.gz RQDHQLQLZSOJRD-DOTOQJQBSA-N 0 1 299.414 3.638 20 0 CHADMN COc1cccc(-c2cc3nc[nH]c3cc2F)c1C ZINC001238995307 1131287925 /nfs/dbraw/zinc/28/79/25/1131287925.db2.gz IYXGBVCXXNTIOQ-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN Cc1nnc(-c2ccc(-c3ccc4nc[nH]c4c3)cc2)o1 ZINC001239017513 1131289706 /nfs/dbraw/zinc/28/97/06/1131289706.db2.gz MHJOGFHPXQQBDO-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN COC(=O)c1nc2cc(-c3coc4ccccc43)ccc2[nH]1 ZINC001239060045 1131297182 /nfs/dbraw/zinc/29/71/82/1131297182.db2.gz DXDVUZOGTRYKTR-UHFFFAOYSA-N 0 1 292.294 3.763 20 0 CHADMN COc1cc([C@H](C)N[C@H](c2ccccc2)C(C)C)on1 ZINC000820805105 1131302443 /nfs/dbraw/zinc/30/24/43/1131302443.db2.gz FRGWPZUZINEWDW-LRDDRELGSA-N 0 1 274.364 3.731 20 0 CHADMN Cc1nc(CN(C)C[C@@H](C)C2CCCCC2)co1 ZINC000528774093 1124801019 /nfs/dbraw/zinc/80/10/19/1124801019.db2.gz PWFPGCHDHLVAHJ-GFCCVEGCSA-N 0 1 250.386 3.631 20 0 CHADMN CCn1ccnc1[C@@H](C)NC/C=C/c1ccc(F)cc1F ZINC000449562116 1124803307 /nfs/dbraw/zinc/80/33/07/1124803307.db2.gz HBOWZHRBCNCDEK-ZYOFXKKJSA-N 0 1 291.345 3.545 20 0 CHADMN C[C@H](NC[C@@H]1CCCCC1(F)F)c1ncccc1F ZINC000528827503 1124814440 /nfs/dbraw/zinc/81/44/40/1124814440.db2.gz VKADSRRFTGEQTN-QWRGUYRKSA-N 0 1 272.314 3.697 20 0 CHADMN Cc1nc(CN[C@@H]2CCO[C@@H](c3cccs3)C2)cs1 ZINC000449623030 1124823442 /nfs/dbraw/zinc/82/34/42/1124823442.db2.gz KXAKWHWJVVYLGR-DGCLKSJQSA-N 0 1 294.445 3.523 20 0 CHADMN CC[C@H](O)[C@H](CC)NCc1csc(-c2ccsc2)n1 ZINC000449640934 1124828684 /nfs/dbraw/zinc/82/86/84/1124828684.db2.gz TWNPUHQQKSDBQE-STQMWFEESA-N 0 1 296.461 3.511 20 0 CHADMN CN1CCC[C@H](NCc2ccccc2F)c2ccccc21 ZINC000449650927 1124829150 /nfs/dbraw/zinc/82/91/50/1124829150.db2.gz MJTZUBPAGKDIOZ-KRWDZBQOSA-N 0 1 284.378 3.887 20 0 CHADMN COc1ccccc1CN[C@@H]1CCCN(C)c2ccccc21 ZINC000449650073 1124829613 /nfs/dbraw/zinc/82/96/13/1124829613.db2.gz KLMCLVUHOVFPDC-QGZVFWFLSA-N 0 1 296.414 3.756 20 0 CHADMN CC(C)n1cc(CN[C@@H]2CCCN(C)c3ccccc32)cn1 ZINC000449649000 1124830021 /nfs/dbraw/zinc/83/00/21/1124830021.db2.gz HYIXOKQLMUWOPI-QGZVFWFLSA-N 0 1 298.434 3.525 20 0 CHADMN CO[C@H]([C@@H](C)NCc1csc(Cl)c1Cl)C1CC1 ZINC000449634637 1124831504 /nfs/dbraw/zinc/83/15/04/1124831504.db2.gz WJYPZHYANNJNGA-RDDDGLTNSA-N 0 1 294.247 3.958 20 0 CHADMN CCSCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000449637724 1124832557 /nfs/dbraw/zinc/83/25/57/1124832557.db2.gz HOPBHAYNIMEMED-CYBMUJFWSA-N 0 1 251.395 3.560 20 0 CHADMN CCC[C@H]1CCC[C@@H]1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000450011542 1124914560 /nfs/dbraw/zinc/91/45/60/1124914560.db2.gz WAVBZAQHARQDIU-KBPBESRZSA-N 0 1 299.418 3.704 20 0 CHADMN CCC[C@H]1CCC[C@@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000450136748 1124932972 /nfs/dbraw/zinc/93/29/72/1124932972.db2.gz YEWXHHUKDKHFMI-IUCAKERBSA-N 0 1 289.301 3.583 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1csc(C)n1)C1CC1 ZINC000120696537 1124966639 /nfs/dbraw/zinc/96/66/39/1124966639.db2.gz DUFSESAPAWNDBY-GHMZBOCLSA-N 0 1 252.427 3.851 20 0 CHADMN CC(C)(C)c1csc(CNC[C@@H]2CC2(Cl)Cl)n1 ZINC000877018267 1124997917 /nfs/dbraw/zinc/99/79/17/1124997917.db2.gz LHUVAWULUQTZQJ-QMMMGPOBSA-N 0 1 293.263 3.724 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2cccc3ncccc23)no1 ZINC000876592475 1124963790 /nfs/dbraw/zinc/96/37/90/1124963790.db2.gz QCLDYAHHAWDUJA-SFHVURJKSA-N 0 1 293.370 3.868 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1ccc(C(C)=O)cc1 ZINC000450269752 1124965728 /nfs/dbraw/zinc/96/57/28/1124965728.db2.gz JYBWKCBBSVXIRR-UHFFFAOYSA-N 0 1 297.398 3.920 20 0 CHADMN COCCN(Cc1ccc(C)o1)Cc1ccc2cc[nH]c2c1 ZINC000529529835 1124981826 /nfs/dbraw/zinc/98/18/26/1124981826.db2.gz NUCCLIAIOGZUME-UHFFFAOYSA-N 0 1 298.386 3.718 20 0 CHADMN O=C(c1cccc(-c2cccc3cncn32)c1)C(F)(F)F ZINC001239393166 1131323523 /nfs/dbraw/zinc/32/35/23/1131323523.db2.gz VOCKWGMLCKIVCN-UHFFFAOYSA-N 0 1 290.244 3.746 20 0 CHADMN CC(C)N(Cc1ccsc1C(F)(F)F)[C@@H]1CCOC1 ZINC000529570227 1125003207 /nfs/dbraw/zinc/00/32/07/1125003207.db2.gz CAVLHAFCEPSAGR-LLVKDONJSA-N 0 1 293.354 3.766 20 0 CHADMN CO[C@H]1CCN(Cc2ccsc2C(F)(F)F)C[C@H]1C ZINC000529595136 1125004709 /nfs/dbraw/zinc/00/47/09/1125004709.db2.gz SOSFCVUPSJPGTL-KOLCDFICSA-N 0 1 293.354 3.624 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@@H](CC)O1 ZINC000529610447 1125010015 /nfs/dbraw/zinc/01/00/15/1125010015.db2.gz DSLQTKHVNDYWBM-HZPDHXFCSA-N 0 1 272.392 3.557 20 0 CHADMN Cc1cc(F)ccc1CCNCc1nc(Cl)cs1 ZINC000877112222 1125010051 /nfs/dbraw/zinc/01/00/51/1125010051.db2.gz SDZFWOBZPUVCGX-UHFFFAOYSA-N 0 1 284.787 3.576 20 0 CHADMN Cc1cccc([C@@H](NC[C@H]2CCCCO2)c2ccccn2)c1 ZINC000877123302 1125011323 /nfs/dbraw/zinc/01/13/23/1125011323.db2.gz JJNVLCRIVMJJJS-IEBWSBKVSA-N 0 1 296.414 3.638 20 0 CHADMN CCC(CC)[C@H](CCNCc1nc(Cl)cs1)OC ZINC000877117026 1125011704 /nfs/dbraw/zinc/01/17/04/1125011704.db2.gz ZIJZDGQWTMYOFC-NSHDSACASA-N 0 1 290.860 3.727 20 0 CHADMN Cc1ccc([C@H](N)C(=O)Nc2ccc(C3CC3)cc2F)cc1 ZINC000877260840 1125021370 /nfs/dbraw/zinc/02/13/70/1125021370.db2.gz FIIYNLKTCKGLGS-KRWDZBQOSA-N 0 1 298.361 3.650 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1Cc1nnc(C2CC2)s1 ZINC000450431381 1125022318 /nfs/dbraw/zinc/02/23/18/1125022318.db2.gz YVMJHDXWYKNUGA-WCQYABFASA-N 0 1 279.453 3.816 20 0 CHADMN CC(=O)c1ccc(CN2Cc3ccccc3C[C@H]2C)cc1 ZINC000450435748 1125025162 /nfs/dbraw/zinc/02/51/62/1125025162.db2.gz IHKIEHBIVJZHOZ-CQSZACIVSA-N 0 1 279.383 3.836 20 0 CHADMN CC(C)[C@@H](CC(F)(F)F)NCc1nc(Cl)cs1 ZINC000877462742 1125028675 /nfs/dbraw/zinc/02/86/75/1125028675.db2.gz WXWJMRMGJLNLFT-SSDOTTSWSA-N 0 1 286.750 3.863 20 0 CHADMN FC(F)c1ccc(CN2CC(Cc3ccco3)C2)cc1 ZINC000529650342 1125030413 /nfs/dbraw/zinc/03/04/13/1125030413.db2.gz ZQQBVVARGXKSCK-UHFFFAOYSA-N 0 1 277.314 3.892 20 0 CHADMN Fc1cc2cccnc2c(CN2CC(Cc3ccco3)C2)c1 ZINC000529648424 1125030946 /nfs/dbraw/zinc/03/09/46/1125030946.db2.gz CMPVCCISOYIVJZ-UHFFFAOYSA-N 0 1 296.345 3.641 20 0 CHADMN CC(=O)c1cccc(CN2CC[C@H]2Cc2ccccc2)c1 ZINC000450479129 1125040521 /nfs/dbraw/zinc/04/05/21/1125040521.db2.gz LPGVBWQKWBELNL-IBGZPJMESA-N 0 1 279.383 3.706 20 0 CHADMN C[C@@H](NCc1ccc2nonc2c1)c1cc2ccccc2o1 ZINC000821402236 1131327594 /nfs/dbraw/zinc/32/75/94/1131327594.db2.gz OMHHKZYUXFDLKY-LLVKDONJSA-N 0 1 293.326 3.820 20 0 CHADMN CC(C)CC[C@@H]1CCCN1Cc1nnc(C2CC2)s1 ZINC000450500841 1125049903 /nfs/dbraw/zinc/04/99/03/1125049903.db2.gz OFCPSMYSQMDYJN-ZDUSSCGKSA-N 0 1 279.453 3.816 20 0 CHADMN CC(C)(C)Oc1cccc(CN2CC(CC(F)F)C2)c1 ZINC000877599113 1125052816 /nfs/dbraw/zinc/05/28/16/1125052816.db2.gz PXCJDBPVPZJKAQ-UHFFFAOYSA-N 0 1 283.362 3.951 20 0 CHADMN CC(C)c1nnc(CN(C(C)C)C2CCCC2)s1 ZINC000450547968 1125054614 /nfs/dbraw/zinc/05/46/14/1125054614.db2.gz FXIRMPMZPBHCJA-UHFFFAOYSA-N 0 1 267.442 3.815 20 0 CHADMN CO[C@@H](CNCc1noc2ccccc12)C1CCCCC1 ZINC000877621036 1125056024 /nfs/dbraw/zinc/05/60/24/1125056024.db2.gz MOCMIZUACHTHKV-KRWDZBQOSA-N 0 1 288.391 3.513 20 0 CHADMN COc1cc(CN[C@H]2CCc3ccc(Cl)cc32)sn1 ZINC000877660742 1125059328 /nfs/dbraw/zinc/05/93/28/1125059328.db2.gz PPLIOJLRJNFDBK-ZDUSSCGKSA-N 0 1 294.807 3.582 20 0 CHADMN C[C@@H]1CCC[C@H](C2CN(Cc3cn(C)nc3C(F)F)C2)C1 ZINC000877763823 1125076831 /nfs/dbraw/zinc/07/68/31/1125076831.db2.gz KQXGHYRAWUYDIF-NEPJUHHUSA-N 0 1 297.393 3.616 20 0 CHADMN CC(C)(C)[C@H]1C[C@@H](NCc2ncc(Cl)s2)CS1 ZINC000877806720 1125082332 /nfs/dbraw/zinc/08/23/32/1125082332.db2.gz JQBFYIKYKWNUMC-RKDXNWHRSA-N 0 1 290.885 3.806 20 0 CHADMN Cc1cc(CC(=O)Nc2ccc(Cl)cc2C(C)C)n[nH]1 ZINC000529850789 1125082674 /nfs/dbraw/zinc/08/26/74/1125082674.db2.gz AHNWUFNBQVGPIK-UHFFFAOYSA-N 0 1 291.782 3.676 20 0 CHADMN C[C@]1(C(F)(F)F)CCN(Cc2cnc(C3CC3)s2)C1 ZINC000877812792 1125086164 /nfs/dbraw/zinc/08/61/64/1125086164.db2.gz SREPCGDPLIIREA-LBPRGKRZSA-N 0 1 290.354 3.795 20 0 CHADMN COc1ccc(-c2n[nH]c(SCCC(C)(F)F)n2)cc1 ZINC000450704578 1125092220 /nfs/dbraw/zinc/09/22/20/1125092220.db2.gz VWRSXFWLQRCAJS-UHFFFAOYSA-N 0 1 299.346 3.618 20 0 CHADMN CC(C)(C)c1[nH]ncc1C(=O)Nc1ccc2occc2c1 ZINC000530004936 1125113410 /nfs/dbraw/zinc/11/34/10/1125113410.db2.gz ZLUIYIIBQYCEGF-UHFFFAOYSA-N 0 1 283.331 3.706 20 0 CHADMN CC(C)c1cccc(NC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)c1 ZINC000878015079 1125113520 /nfs/dbraw/zinc/11/35/20/1125113520.db2.gz VHONSHQKYLBHCC-SJCJKPOMSA-N 0 1 297.402 3.838 20 0 CHADMN Cc1nc2ccc(NC(=O)CC(C)(C)CC(F)F)cc2[nH]1 ZINC000878032857 1125114271 /nfs/dbraw/zinc/11/42/71/1125114271.db2.gz LDBPQHGEBDCBSY-UHFFFAOYSA-N 0 1 295.333 3.881 20 0 CHADMN c1ccc([C@H]2CC[C@@H](CN3Cc4ccccc4C3)O2)cc1 ZINC000878079312 1125116883 /nfs/dbraw/zinc/11/68/83/1125116883.db2.gz UOLMDFDJAINALU-RBUKOAKNSA-N 0 1 279.383 3.923 20 0 CHADMN Clc1ncsc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000878133523 1125122762 /nfs/dbraw/zinc/12/27/62/1125122762.db2.gz KWWVDAJAWRMMRP-UWVGGRQHSA-N 0 1 256.802 3.561 20 0 CHADMN CC1(C)CC(C[N@H+]2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)C1 ZINC000530167486 1125126801 /nfs/dbraw/zinc/12/68/01/1125126801.db2.gz ZPUNVPYZRBSVFO-JKSUJKDBSA-N 0 1 287.403 3.713 20 0 CHADMN Fc1ccccc1SCCSc1nc(C2CC2)n[nH]1 ZINC000022545952 1125127400 /nfs/dbraw/zinc/12/74/00/1125127400.db2.gz HIGYKZINVXYIJZ-UHFFFAOYSA-N 0 1 295.408 3.706 20 0 CHADMN Fc1ccccc1SCCSc1n[nH]c(C2CC2)n1 ZINC000022545952 1125127406 /nfs/dbraw/zinc/12/74/06/1125127406.db2.gz HIGYKZINVXYIJZ-UHFFFAOYSA-N 0 1 295.408 3.706 20 0 CHADMN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(CF)CF ZINC000826029853 1125129732 /nfs/dbraw/zinc/12/97/32/1125129732.db2.gz KTHOPUXPOSWUOB-LBPRGKRZSA-N 0 1 295.295 3.924 20 0 CHADMN Cc1ccc(CNc2cc(C)nc3ccc(F)cc32)cn1 ZINC000121506274 1125131342 /nfs/dbraw/zinc/13/13/42/1125131342.db2.gz NMPITMRTNUXFNA-UHFFFAOYSA-N 0 1 281.334 3.998 20 0 CHADMN C=C/C=C/CCN(Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000878217779 1125132283 /nfs/dbraw/zinc/13/22/83/1125132283.db2.gz DDDVAUPJVAWUCU-AATRIKPKSA-N 0 1 297.402 3.678 20 0 CHADMN COc1cccc([C@H](C)N2CCC[C@](C)(F)C2)c1 ZINC000451116646 1125136211 /nfs/dbraw/zinc/13/62/11/1125136211.db2.gz SECMEHOSMXRMER-WFASDCNBSA-N 0 1 251.345 3.580 20 0 CHADMN COc1ccccc1-c1nc(CN(C)CCC2CC2)co1 ZINC000878288003 1125138444 /nfs/dbraw/zinc/13/84/44/1125138444.db2.gz LPTXQXPZGTUVHL-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN CCCOc1ccc(CN(C)Cc2cnccc2C)cc1 ZINC000530280557 1125139111 /nfs/dbraw/zinc/13/91/11/1125139111.db2.gz HNAVAZQUSYUCIP-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN C[C@H]1SCCN(Cc2cccc(Cl)c2)[C@H]1C ZINC000303720050 1125141489 /nfs/dbraw/zinc/14/14/89/1125141489.db2.gz RNJSCMMENGJRBY-WDEREUQCSA-N 0 1 255.814 3.666 20 0 CHADMN CC[N@H+](Cc1ccncc1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878331086 1125141716 /nfs/dbraw/zinc/14/17/16/1125141716.db2.gz RIRQMVBYJUQQTC-RBUKOAKNSA-N 0 1 296.414 3.824 20 0 CHADMN CCC[C@H](NCc1nccn1CC(F)F)c1ccccc1 ZINC000878346362 1125143344 /nfs/dbraw/zinc/14/33/44/1125143344.db2.gz XMFVNFOHOZQFSP-AWEZNQCLSA-N 0 1 293.361 3.779 20 0 CHADMN C[C@@H](NCc1nc2c(o1)CCCC2)[C@H](C)c1ccccc1 ZINC000878378947 1125147445 /nfs/dbraw/zinc/14/74/45/1125147445.db2.gz QWLMWCQXRHGEHU-UONOGXRCSA-N 0 1 284.403 3.835 20 0 CHADMN c1ccc(C[C@H](NCc2nc3c(o2)CCCC3)C2CC2)cc1 ZINC000878378937 1125147647 /nfs/dbraw/zinc/14/76/47/1125147647.db2.gz QTYKPSZFRKTQCG-KRWDZBQOSA-N 0 1 296.414 3.664 20 0 CHADMN C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCCOC(F)(F)F ZINC000878392696 1125147864 /nfs/dbraw/zinc/14/78/64/1125147864.db2.gz PXZTVNHHIBAGGR-RKDXNWHRSA-N 0 1 293.251 3.576 20 0 CHADMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1CCCOC(F)(F)F ZINC000878392696 1125147867 /nfs/dbraw/zinc/14/78/67/1125147867.db2.gz PXZTVNHHIBAGGR-RKDXNWHRSA-N 0 1 293.251 3.576 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2nc3c(o2)CCCC3)[C@@H]2CCCC[C@H]21 ZINC000878399812 1125148992 /nfs/dbraw/zinc/14/89/92/1125148992.db2.gz QPDFUKDEIZWXCB-VNHYZAJKSA-N 0 1 274.408 3.564 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@@H]2CC3(CCC3)CO2)cs1 ZINC000878419218 1125151205 /nfs/dbraw/zinc/15/12/05/1125151205.db2.gz VACGNOKCOMSDKL-OLZOCXBDSA-N 0 1 294.464 3.876 20 0 CHADMN CCc1nc([C@H](C)NC[C@H]2CCC(C)(C)CO2)cs1 ZINC000878419487 1125151957 /nfs/dbraw/zinc/15/19/57/1125151957.db2.gz WWHLUBUJPPAOPQ-NWDGAFQWSA-N 0 1 282.453 3.561 20 0 CHADMN C[C@@H](NCC1CC2(CCC2)C1)c1nc(C(C)(C)C)no1 ZINC000878425008 1125152946 /nfs/dbraw/zinc/15/29/46/1125152946.db2.gz FBQSQJXAPDSOPI-LLVKDONJSA-N 0 1 277.412 3.598 20 0 CHADMN COc1ccc(CN(Cc2ccc(C)nc2)C2CC2)cc1 ZINC000121891436 1125159603 /nfs/dbraw/zinc/15/96/03/1125159603.db2.gz YZQZJZQUOJDXIX-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN C[C@H](Cc1ccc(F)cc1)NCc1ncc(Cl)s1 ZINC000225316157 1125162725 /nfs/dbraw/zinc/16/27/25/1125162725.db2.gz IBQLQQOBLKBEIO-SECBINFHSA-N 0 1 284.787 3.656 20 0 CHADMN CC1(C)CCC[C@H](C[N@H+]2CCC=C(c3cccnc3)C2)O1 ZINC000878617669 1125166449 /nfs/dbraw/zinc/16/64/49/1125166449.db2.gz UVUQHYZHGSSPCP-QGZVFWFLSA-N 0 1 286.419 3.518 20 0 CHADMN Cc1ccc(NC(=O)CN(C)[C@@H](C)c2ccccc2C)cc1 ZINC000530626461 1125168774 /nfs/dbraw/zinc/16/87/74/1125168774.db2.gz JJKFABJJTQEMKY-INIZCTEOSA-N 0 1 296.414 3.935 20 0 CHADMN CC[C@H]1CCN1C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878645159 1125168874 /nfs/dbraw/zinc/16/88/74/1125168874.db2.gz HOKAKTKOHBSJRW-GXFFZTMASA-N 0 1 274.191 3.511 20 0 CHADMN Cc1ccc(NC(=O)CN(C)C[C@H](C)c2ccccc2)cc1 ZINC000530628008 1125168891 /nfs/dbraw/zinc/16/88/91/1125168891.db2.gz VAZHJPBTRCWULQ-INIZCTEOSA-N 0 1 296.414 3.669 20 0 CHADMN CC[C@H]1CCN1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878645158 1125169101 /nfs/dbraw/zinc/16/91/01/1125169101.db2.gz HOKAKTKOHBSJRW-GWCFXTLKSA-N 0 1 274.191 3.511 20 0 CHADMN COc1cccc([C@@H]2CCCN2Cc2ccc(C)nc2)c1 ZINC000122032176 1125169082 /nfs/dbraw/zinc/16/90/82/1125169082.db2.gz RYDMTVOWJDZOSU-SFHVURJKSA-N 0 1 282.387 3.736 20 0 CHADMN CO[C@@H](C)c1nc(CNC2CC3(C2)CCCC3)cs1 ZINC000925236176 1125169157 /nfs/dbraw/zinc/16/91/57/1125169157.db2.gz KCIUPNKSZLTHPJ-NSHDSACASA-N 0 1 280.437 3.663 20 0 CHADMN O=C(Nc1ccc(C2CC2)cc1)[C@@H]1CCN1C1CCCC1 ZINC000821540343 1131336185 /nfs/dbraw/zinc/33/61/85/1131336185.db2.gz CEUHWRWOUKANOC-KRWDZBQOSA-N 0 1 284.403 3.519 20 0 CHADMN Cc1ccc(CN(C)[C@@H](C)c2ccc(F)c(F)c2)cn1 ZINC000122065388 1125170717 /nfs/dbraw/zinc/17/07/17/1125170717.db2.gz PNCLBPNNQHJIRO-LBPRGKRZSA-N 0 1 276.330 3.861 20 0 CHADMN Cc1ccc(CN(Cc2ccccc2)C2CC2)cn1 ZINC000122076382 1125171129 /nfs/dbraw/zinc/17/11/29/1125171129.db2.gz ZKEXYQNOXNWZKC-UHFFFAOYSA-N 0 1 252.361 3.555 20 0 CHADMN CN(Cc1ccccn1)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000878667897 1125172151 /nfs/dbraw/zinc/17/21/51/1125172151.db2.gz DWLSGKNWGFPQIN-RTBURBONSA-N 0 1 296.414 3.824 20 0 CHADMN CCCCN(Cc1ncc(C)o1)[C@@H]1CCCC[C@H]1OC ZINC000451655099 1125172275 /nfs/dbraw/zinc/17/22/75/1125172275.db2.gz XJRJFGWYCVHGQW-HUUCEWRRSA-N 0 1 280.412 3.543 20 0 CHADMN C[C@H](CN1CCc2cc(Cl)nnc2C1)CC(C)(C)C ZINC000878758453 1125177739 /nfs/dbraw/zinc/17/77/39/1125177739.db2.gz MVARFFUHUYEJGW-NSHDSACASA-N 0 1 281.831 3.560 20 0 CHADMN Fc1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC000530772696 1125179189 /nfs/dbraw/zinc/17/91/89/1125179189.db2.gz XICYUDYRIXLTHE-LSDHHAIUSA-N 0 1 283.387 3.825 20 0 CHADMN CC[N@@H+](Cc1ccc(C)nc1)[C@@H](C)c1cccc(OC)c1 ZINC000122326348 1125187386 /nfs/dbraw/zinc/18/73/86/1125187386.db2.gz ITQZFZFCCHRKHL-HNNXBMFYSA-N 0 1 284.403 3.982 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCc3cc(F)ccc32)o1 ZINC000122397175 1125188517 /nfs/dbraw/zinc/18/85/17/1125188517.db2.gz URQAMDTYKVLEJH-MRXNPFEDSA-N 0 1 259.324 3.894 20 0 CHADMN COC[C@@H](NCc1ccc(C)cc1)c1ccc(F)cc1 ZINC000530968558 1125189854 /nfs/dbraw/zinc/18/98/54/1125189854.db2.gz KDECGLYDJZOIDA-QGZVFWFLSA-N 0 1 273.351 3.611 20 0 CHADMN C[C@@H](CCC1CCCCC1)NCc1noc2c1COCC2 ZINC000897367156 1125200218 /nfs/dbraw/zinc/20/02/18/1125200218.db2.gz UCQGFLNMUUGPGN-ZDUSSCGKSA-N 0 1 292.423 3.586 20 0 CHADMN Fc1cccc(CN2CCC[C@@H]2c2ccccn2)c1 ZINC000531200878 1125200279 /nfs/dbraw/zinc/20/02/79/1125200279.db2.gz PQNUINRHMPKGIG-MRXNPFEDSA-N 0 1 256.324 3.558 20 0 CHADMN C[C@@H]1CN(Cc2csc(C(C)(C)C)n2)C[C@H]1C ZINC000531210038 1125201776 /nfs/dbraw/zinc/20/17/76/1125201776.db2.gz DESZRTQLSRQHCL-GHMZBOCLSA-N 0 1 252.427 3.528 20 0 CHADMN Cc1cccc2c(CN3CCCC[C@](C)(F)C3)[nH]nc21 ZINC001137142027 1125203489 /nfs/dbraw/zinc/20/34/89/1125203489.db2.gz RJLJRIQENLKAIV-INIZCTEOSA-N 0 1 275.371 3.585 20 0 CHADMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1ccc(C2CC2)cc1 ZINC000879373905 1125210159 /nfs/dbraw/zinc/21/01/59/1125210159.db2.gz DIODNXXEAQIWDM-DIFFPNOSSA-N 0 1 295.386 3.592 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1csc(-c2ccoc2)n1 ZINC000122947291 1125214695 /nfs/dbraw/zinc/21/46/95/1125214695.db2.gz RRAYUBZYTZTPFH-PHIMTYICSA-N 0 1 262.378 3.776 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530039 1125218801 /nfs/dbraw/zinc/21/88/01/1125218801.db2.gz JWQDEJKWNQKXFT-BMFZPTHFSA-N 0 1 295.386 3.696 20 0 CHADMN Cc1ccnc(CN2CC[C@H](c3ccccc3F)C2(C)C)n1 ZINC000879640512 1125222958 /nfs/dbraw/zinc/22/29/58/1125222958.db2.gz KANKMKNTZIODOY-OAHLLOKOSA-N 0 1 299.393 3.692 20 0 CHADMN C[C@@H](NCc1cccc(C(C)(C)C)c1)c1ccnn1C ZINC000879687586 1125225252 /nfs/dbraw/zinc/22/52/52/1125225252.db2.gz UURQCJLHRYRWGB-CYBMUJFWSA-N 0 1 271.408 3.568 20 0 CHADMN Cc1ccc(CN(C)Cc2[nH]nc3c2cccc3C)cc1 ZINC001137146264 1125230203 /nfs/dbraw/zinc/23/02/03/1125230203.db2.gz DWQGHBTTWWPEQM-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN CCc1cc(CN[C@H](C)c2cc(C)cc(C)c2)on1 ZINC000532232625 1125243999 /nfs/dbraw/zinc/24/39/99/1125243999.db2.gz SHBFYYNVPRYNSU-CYBMUJFWSA-N 0 1 258.365 3.705 20 0 CHADMN Cc1cccc([C@H](C)N2CCO[C@H](C(F)(F)F)CC2)c1 ZINC000880047672 1125248247 /nfs/dbraw/zinc/24/82/47/1125248247.db2.gz WIJMCDUQLUVQPP-JSGCOSHPSA-N 0 1 287.325 3.709 20 0 CHADMN C[N@@H+](Cc1cnns1)C1(Cc2ccccc2)CCCC1 ZINC000880122818 1125251773 /nfs/dbraw/zinc/25/17/73/1125251773.db2.gz XOYPORRJWMQDEB-UHFFFAOYSA-N 0 1 287.432 3.525 20 0 CHADMN CC(C)=CC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000880235646 1125257740 /nfs/dbraw/zinc/25/77/40/1125257740.db2.gz RBEGGZJLYLAXLN-UHFFFAOYSA-N 0 1 298.390 3.674 20 0 CHADMN FC[C@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000880233616 1125258875 /nfs/dbraw/zinc/25/88/75/1125258875.db2.gz YHBPEJSIQLOLKO-GFCCVEGCSA-N 0 1 276.330 3.555 20 0 CHADMN Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@H](CF)C1 ZINC000880292598 1125263677 /nfs/dbraw/zinc/26/36/77/1125263677.db2.gz RTEYVXKSSAQUFZ-LLVKDONJSA-N 0 1 280.368 3.503 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1CC[C@H](CF)C1 ZINC000880292598 1125263681 /nfs/dbraw/zinc/26/36/81/1125263681.db2.gz RTEYVXKSSAQUFZ-LLVKDONJSA-N 0 1 280.368 3.503 20 0 CHADMN CC(C)CN1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000033644737 1125263698 /nfs/dbraw/zinc/26/36/98/1125263698.db2.gz ZIOKVNDXJGFQES-AWEZNQCLSA-N 0 1 287.325 3.735 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CC[C@H](c2nccs2)C1 ZINC000880316584 1125264922 /nfs/dbraw/zinc/26/49/22/1125264922.db2.gz HXXILTUIVLJWGU-QWRGUYRKSA-N 0 1 294.370 3.972 20 0 CHADMN Cc1csc(CN2CCN(C)C[C@H]2c2ccccc2)c1 ZINC001137151822 1125267072 /nfs/dbraw/zinc/26/70/72/1125267072.db2.gz BGGPHZGTDLXBNR-KRWDZBQOSA-N 0 1 286.444 3.545 20 0 CHADMN Cc1cc(C)c(/C=C\CN(C)Cc2cccc(=O)[nH]2)c(C)c1 ZINC000897391127 1125287587 /nfs/dbraw/zinc/28/75/87/1125287587.db2.gz FVORKUHXBYVMSJ-VURMDHGXSA-N 0 1 296.414 3.858 20 0 CHADMN Cc1ccsc1CNCc1cc(C)cc(Cl)n1 ZINC000282038797 1125287847 /nfs/dbraw/zinc/28/78/47/1125287847.db2.gz OQFMKPGFQGBEGK-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN C[C@@H](c1ccccc1)N(C(=O)c1cccc(F)c1O)C1CC1 ZINC001272029495 1125289478 /nfs/dbraw/zinc/28/94/78/1125289478.db2.gz DHVGILRYLDYXEH-LBPRGKRZSA-N 0 1 299.345 3.897 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)NCc1nccc(Cl)n1 ZINC001168158380 1125294415 /nfs/dbraw/zinc/29/44/15/1125294415.db2.gz MWOHLYGQYMOGEN-SNVBAGLBSA-N 0 1 296.201 3.504 20 0 CHADMN Cc1nc2c(n1C[C@@H]1CCC(F)(F)C1)CCCC2 ZINC000302469362 1125321243 /nfs/dbraw/zinc/32/12/43/1125321243.db2.gz PZHCKTJDKNFURZ-LLVKDONJSA-N 0 1 254.324 3.506 20 0 CHADMN C[C@@H](N[C@H]1CCCc2cccnc21)c1ccc2c(c1)CCO2 ZINC000897417945 1125321509 /nfs/dbraw/zinc/32/15/09/1125321509.db2.gz HFRWXCNWMJNKPQ-DYVFJYSZSA-N 0 1 294.398 3.745 20 0 CHADMN CC(C)CC[C@H]1CCC[C@@H]1NCc1nc(C2CC2)no1 ZINC000191351556 1125323966 /nfs/dbraw/zinc/32/39/66/1125323966.db2.gz QSKNRHAKNYCQTC-OCCSQVGLSA-N 0 1 277.412 3.642 20 0 CHADMN CC1CCC(N(C)Cc2nc(-c3ccccc3)no2)CC1 ZINC000102674787 1125327136 /nfs/dbraw/zinc/32/71/36/1125327136.db2.gz RYOIMJRRPNNTKP-UHFFFAOYSA-N 0 1 285.391 3.747 20 0 CHADMN O=C1CCN(Cc2cccc3cccnc32)[C@H]2CCCC[C@@H]12 ZINC001137172174 1125331152 /nfs/dbraw/zinc/33/11/52/1125331152.db2.gz WTOGKFLMUFUVSZ-SJORKVTESA-N 0 1 294.398 3.568 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)c1ccccn1)[C@H]1CC1(F)F ZINC000666229616 1125334014 /nfs/dbraw/zinc/33/40/14/1125334014.db2.gz SQDKVUZUCKHJBD-JGGQBBKZSA-N 0 1 288.341 3.804 20 0 CHADMN Fc1ccc(C2=CC[N@@H+](Cc3cccnc3)CC2)cc1 ZINC000193146565 1125337756 /nfs/dbraw/zinc/33/77/56/1125337756.db2.gz WWHPPBVJCGLIHV-UHFFFAOYSA-N 0 1 268.335 3.510 20 0 CHADMN Fc1ccc(C2=CCN(Cc3cccnc3)CC2)cc1 ZINC000193146565 1125337758 /nfs/dbraw/zinc/33/77/58/1125337758.db2.gz WWHPPBVJCGLIHV-UHFFFAOYSA-N 0 1 268.335 3.510 20 0 CHADMN C[C@H](c1ccco1)N(Cc1ccc2c(c1)OCCO2)C1CC1 ZINC000086234668 1125338041 /nfs/dbraw/zinc/33/80/41/1125338041.db2.gz HZAANZAHZCFWEO-CYBMUJFWSA-N 0 1 299.370 3.776 20 0 CHADMN Cc1ccc(NC(=O)[C@H](N[C@@H]2C[C@H]2C)c2ccccc2)cc1 ZINC000671148170 1125349059 /nfs/dbraw/zinc/34/90/59/1125349059.db2.gz PCQYKDSUNCPVOX-ZTFGCOKTSA-N 0 1 294.398 3.673 20 0 CHADMN CC1(C)CC(c2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000350085512 1125359373 /nfs/dbraw/zinc/35/93/73/1125359373.db2.gz LJBRUQXKOKMRLI-UHFFFAOYSA-N 0 1 268.320 3.517 20 0 CHADMN C[C@H](N[C@H]1CCc2c1c(F)ccc2F)c1ccc[nH]1 ZINC000760250149 1125359702 /nfs/dbraw/zinc/35/97/02/1125359702.db2.gz QOFRWPJKNNBDAO-XPTSAGLGSA-N 0 1 262.303 3.631 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1ccc(F)cc1 ZINC000037211125 1125364913 /nfs/dbraw/zinc/36/49/13/1125364913.db2.gz HVBXXEUOARKJEC-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc[nH]1 ZINC000760251576 1125365478 /nfs/dbraw/zinc/36/54/78/1125365478.db2.gz YOAKCJAFGKMXJA-VHSXEESVSA-N 0 1 250.292 3.705 20 0 CHADMN C/C=C/C[C@@H]1CCCN([C@@H](C)c2nnc(C)s2)C1 ZINC000626162899 1125380675 /nfs/dbraw/zinc/38/06/75/1125380675.db2.gz AIOGQVHIQVXBLD-SOHMCZBRSA-N 0 1 265.426 3.586 20 0 CHADMN C/C=C\C[C@H]1CCCN(Cc2nc(C)cs2)C1 ZINC000626162469 1125381760 /nfs/dbraw/zinc/38/17/60/1125381760.db2.gz UXPTXQWRWWOZQL-SCOBNMCVSA-N 0 1 250.411 3.630 20 0 CHADMN CCOC1CC(NCc2c(Cl)cccc2Cl)C1 ZINC000224614453 1125387666 /nfs/dbraw/zinc/38/76/66/1125387666.db2.gz RQKGFYOTCUXAJT-UHFFFAOYSA-N 0 1 274.191 3.651 20 0 CHADMN Cc1cc(C)c([C@@H](C)N(C)CC(=O)NC(C)(C)C)c(C)c1 ZINC000532458562 1125390838 /nfs/dbraw/zinc/39/08/38/1125390838.db2.gz WMFOTYYMNFQXJC-OAHLLOKOSA-N 0 1 290.451 3.519 20 0 CHADMN Cc1ccc(CNCc2ccc(C)c(C)c2)c(Cl)n1 ZINC000883291938 1125392105 /nfs/dbraw/zinc/39/21/05/1125392105.db2.gz YEDXXUZGANHGJB-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN C[C@H]1CCCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000475845096 1125396333 /nfs/dbraw/zinc/39/63/33/1125396333.db2.gz FMGVCVNEWJTHDG-ZDUSSCGKSA-N 0 1 289.423 3.720 20 0 CHADMN c1c[nH]c([C@@H](N[C@@H]2C[C@@H]3CCCC[C@H]23)c2ccccc2)n1 ZINC000883322561 1125396334 /nfs/dbraw/zinc/39/63/34/1125396334.db2.gz KXSJRLQXTSRDNP-NXOAAHMSSA-N 0 1 281.403 3.667 20 0 CHADMN CC(C)COc1ccc(CNCc2ccoc2)cc1 ZINC000171129840 1125403604 /nfs/dbraw/zinc/40/36/04/1125403604.db2.gz JJFXIJRNTYIQSU-UHFFFAOYSA-N 0 1 259.349 3.604 20 0 CHADMN Cc1ccc2nc(CN[C@H](C)c3cccs3)cn2c1 ZINC000171111463 1125403888 /nfs/dbraw/zinc/40/38/88/1125403888.db2.gz OFBHZLLJLJUYKZ-GFCCVEGCSA-N 0 1 271.389 3.555 20 0 CHADMN Cc1ccc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c(Cl)c1 ZINC000235872240 1125407188 /nfs/dbraw/zinc/40/71/88/1125407188.db2.gz LRGAHIHWRIJTSX-CQSZACIVSA-N 0 1 295.810 3.868 20 0 CHADMN CCc1cc(CN[C@H](C)c2cc3c(s2)CCC3)on1 ZINC000532517183 1125409448 /nfs/dbraw/zinc/40/94/48/1125409448.db2.gz NVJSEGUHTUBJLQ-SNVBAGLBSA-N 0 1 276.405 3.638 20 0 CHADMN Cc1ccccc1[C@H](CO)N[C@H](C)c1cc(F)cc(F)c1 ZINC000532550968 1125410523 /nfs/dbraw/zinc/41/05/23/1125410523.db2.gz HFKFHIXFSDXDNU-PXAZEXFGSA-N 0 1 291.341 3.657 20 0 CHADMN C[C@@H](c1cn(-c2ccccc2)nn1)N1CCC2(CCCC2)C1 ZINC000132331921 1125416861 /nfs/dbraw/zinc/41/68/61/1125416861.db2.gz OWOZXSATTLTYRT-HNNXBMFYSA-N 0 1 296.418 3.594 20 0 CHADMN CCn1ccnc1CN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111305924 1125416901 /nfs/dbraw/zinc/41/69/01/1125416901.db2.gz OGMYVQMQQHFVEQ-CQSZACIVSA-N 0 1 289.810 3.546 20 0 CHADMN O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccco2)n[nH]1 ZINC000029833919 1125417286 /nfs/dbraw/zinc/41/72/86/1125417286.db2.gz SEXXUWPDIHQKBR-UHFFFAOYSA-N 0 1 287.706 3.575 20 0 CHADMN Cc1ccccc1CNCc1ccc(Br)o1 ZINC000037487180 1125428274 /nfs/dbraw/zinc/42/82/74/1125428274.db2.gz PNJRVSMHSXWSAV-UHFFFAOYSA-N 0 1 280.165 3.640 20 0 CHADMN CC(C)(C)n1cc(C[N@H+]2CCC[C@H]2c2ccccc2)cn1 ZINC000123679052 1125432222 /nfs/dbraw/zinc/43/22/22/1125432222.db2.gz SEWGQGSPKLOQPF-KRWDZBQOSA-N 0 1 283.419 3.975 20 0 CHADMN CCc1cccc(CN2CCc3cc(F)ccc3C2)c1 ZINC001168252976 1125442110 /nfs/dbraw/zinc/44/21/10/1125442110.db2.gz VZIPRFIQPARSDT-UHFFFAOYSA-N 0 1 269.363 3.946 20 0 CHADMN O=C(Nc1ccsc1)c1cn[nH]c1-c1ccc(F)cc1 ZINC000125173266 1125445606 /nfs/dbraw/zinc/44/56/06/1125445606.db2.gz LXCVCLNGMYDCEP-UHFFFAOYSA-N 0 1 287.319 3.530 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2cc(C)c(C)o2)n[nH]1 ZINC000282860964 1125449974 /nfs/dbraw/zinc/44/99/74/1125449974.db2.gz UQEQHEUIPAVFCY-MVWJERBFSA-N 0 1 290.411 3.940 20 0 CHADMN Cc1nccnc1CN(Cc1cccc(F)c1)C1CCCC1 ZINC000621712153 1129182183 /nfs/dbraw/zinc/18/21/83/1129182183.db2.gz UHYXMCDPHBUWQX-UHFFFAOYSA-N 0 1 299.393 3.869 20 0 CHADMN CCOc1cncc(CN(CC)Cc2cccs2)c1 ZINC000621710198 1129182906 /nfs/dbraw/zinc/18/29/06/1129182906.db2.gz WOIAMUQDPUOFOI-UHFFFAOYSA-N 0 1 276.405 3.564 20 0 CHADMN CCOc1cncc(CN(C)[C@H](C)c2ccccc2)c1 ZINC000621709944 1129183055 /nfs/dbraw/zinc/18/30/55/1129183055.db2.gz LXXFHMMPPBIOAY-CQSZACIVSA-N 0 1 270.376 3.673 20 0 CHADMN Cc1ccc([C@H]2CCCCN2Cc2nccnc2C)cc1 ZINC000621717003 1129185448 /nfs/dbraw/zinc/18/54/48/1129185448.db2.gz UEZZSMMTLCWGDI-GOSISDBHSA-N 0 1 281.403 3.821 20 0 CHADMN Cc1nccnc1CN(C(C)C)[C@@H](C)c1ccsc1 ZINC000621731311 1129188052 /nfs/dbraw/zinc/18/80/52/1129188052.db2.gz JFEPYNKGHOKKOW-ZDUSSCGKSA-N 0 1 275.421 3.818 20 0 CHADMN Fc1cc(CN2CC(CC3CC3)C2)ccc1OC(F)F ZINC000621740574 1129189401 /nfs/dbraw/zinc/18/94/01/1129189401.db2.gz XLRJYHHYIYFCSA-UHFFFAOYSA-N 0 1 285.309 3.659 20 0 CHADMN Cc1[nH]ncc1CN(C)C(=O)c1ccc(C2CCCC2)cc1 ZINC000636069174 1129197950 /nfs/dbraw/zinc/19/79/50/1129197950.db2.gz DBHPOEYZICIDBO-UHFFFAOYSA-N 0 1 297.402 3.648 20 0 CHADMN Cc1nc(CN(C)C/C=C/c2ccccc2)ccc1F ZINC001237816503 1129198984 /nfs/dbraw/zinc/19/89/84/1129198984.db2.gz BVBGCKWWLYQPEN-RMKNXTFCSA-N 0 1 270.351 3.674 20 0 CHADMN COc1cc(Cl)cc(CN2CCC[C@H](C)[C@@H]2C)c1OC ZINC001138746827 1129207401 /nfs/dbraw/zinc/20/74/01/1129207401.db2.gz OZTQQAICJHETQT-RYUDHWBXSA-N 0 1 297.826 3.978 20 0 CHADMN CSC(C)(C)C[C@@H](C)NCc1ncc(Cl)s1 ZINC001258330845 1129207589 /nfs/dbraw/zinc/20/75/89/1129207589.db2.gz GQVKXXACETYZIS-MRVPVSSYSA-N 0 1 278.874 3.806 20 0 CHADMN C[C@@H]1C[C@@H](N[C@@H]2CCCc3ccccc32)c2nccn21 ZINC000294264382 1129214407 /nfs/dbraw/zinc/21/44/07/1129214407.db2.gz XMWZLCHDYAOUMP-DAXOMENPSA-N 0 1 267.376 3.556 20 0 CHADMN CCc1ccc([C@H](CC(C)C)NCc2ccn(C)n2)cc1 ZINC000795302801 1129214653 /nfs/dbraw/zinc/21/46/53/1129214653.db2.gz OILOIMVPKWNBCS-SFHVURJKSA-N 0 1 285.435 3.860 20 0 CHADMN CC(C)C[C@@H](N[C@@H]1CCn2ccnc21)c1ccccc1 ZINC000294274428 1129214949 /nfs/dbraw/zinc/21/49/49/1129214949.db2.gz YBPSNYSEUVBBBG-HZPDHXFCSA-N 0 1 269.392 3.705 20 0 CHADMN Cc1cc(C)c([C@H](C)N2CCc3nc(C)ncc3C2)c(C)c1 ZINC000622022349 1129218688 /nfs/dbraw/zinc/21/86/88/1129218688.db2.gz INAKVZXGGDFBSX-HNNXBMFYSA-N 0 1 295.430 3.830 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H](C)c1cn[nH]c1 ZINC000296210911 1129220588 /nfs/dbraw/zinc/22/05/88/1129220588.db2.gz ZHQNDBXVUBEQBS-FZMZJTMJSA-N 0 1 273.380 3.675 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@@H](C)c1cn[nH]c1 ZINC000296210924 1129220775 /nfs/dbraw/zinc/22/07/75/1129220775.db2.gz ZHQNDBXVUBEQBS-SMDDNHRTSA-N 0 1 273.380 3.675 20 0 CHADMN COc1ccccc1[C@H](CO)NCc1cccc(C(C)C)c1 ZINC000660236335 1129226316 /nfs/dbraw/zinc/22/63/16/1129226316.db2.gz LZOYSAFYGIBDRS-SFHVURJKSA-N 0 1 299.414 3.642 20 0 CHADMN COC1CCC(=Nc2c(C)nc(Cl)nc2Cl)CC1 ZINC001212873442 1129229594 /nfs/dbraw/zinc/22/95/94/1129229594.db2.gz KYXZIEKDWHBIHD-VIFPVBQESA-N 0 1 288.178 3.587 20 0 CHADMN CCC[N@@H+](Cc1ccccc1)[C@@H](c1nccn1C)C1CC1 ZINC000637849216 1129232617 /nfs/dbraw/zinc/23/26/17/1129232617.db2.gz PWCUWKQLJBEQMG-QGZVFWFLSA-N 0 1 283.419 3.783 20 0 CHADMN CCCN(Cc1ccccc1)[C@@H](c1nccn1C)C1CC1 ZINC000637849216 1129232620 /nfs/dbraw/zinc/23/26/20/1129232620.db2.gz PWCUWKQLJBEQMG-QGZVFWFLSA-N 0 1 283.419 3.783 20 0 CHADMN COC(=O)c1sccc1CN(C)C1CCC(C)CC1 ZINC000336895531 1129233571 /nfs/dbraw/zinc/23/35/71/1129233571.db2.gz NADWNYVOHRLANE-UHFFFAOYSA-N 0 1 281.421 3.545 20 0 CHADMN Cc1ncc([C@H](C)N(Cc2cccc(F)c2)C2CC2)c(C)n1 ZINC000637900267 1129236107 /nfs/dbraw/zinc/23/61/07/1129236107.db2.gz UHXVLLARPUIYGV-ZDUSSCGKSA-N 0 1 299.393 3.958 20 0 CHADMN Cc1ccc(CN2CCC(C(F)F)CC2)c(F)c1 ZINC000638089374 1129242529 /nfs/dbraw/zinc/24/25/29/1129242529.db2.gz QALWIOCFFZRWHE-UHFFFAOYSA-N 0 1 257.299 3.611 20 0 CHADMN Cn1ccnc1[C@H](N[C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000638316376 1129253585 /nfs/dbraw/zinc/25/35/85/1129253585.db2.gz BKGHTFHJAOBQQJ-DLBZAZTESA-N 0 1 281.403 3.612 20 0 CHADMN CC[C@H](C)c1cccc(NC(=O)c2oc(CN)cc2C)c1 ZINC000638469578 1129259819 /nfs/dbraw/zinc/25/98/19/1129259819.db2.gz YFINYGLIDMWPBN-NSHDSACASA-N 0 1 286.375 3.813 20 0 CHADMN CC(C)COC[C@H](N[C@@H](C)[C@H]1CC1(F)F)c1ccco1 ZINC000638475126 1129260358 /nfs/dbraw/zinc/26/03/58/1129260358.db2.gz TVFVUPSYIBTYAQ-XQQFMLRXSA-N 0 1 287.350 3.627 20 0 CHADMN c1ccc(C[C@@H]2C[C@H]2NCc2nc3ccccc3o2)cc1 ZINC000638633575 1129263978 /nfs/dbraw/zinc/26/39/78/1129263978.db2.gz AFTLHWOMQQHROL-GDBMZVCRSA-N 0 1 278.355 3.549 20 0 CHADMN Cc1cscc1N[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000638782264 1129270413 /nfs/dbraw/zinc/27/04/13/1129270413.db2.gz QWRBPFSKMZDIHZ-ZDUSSCGKSA-N 0 1 276.409 3.908 20 0 CHADMN Cc1cccc([C@H](N[C@H]2CS[C@@H](C)C2)c2ccccn2)c1 ZINC000638813433 1129271297 /nfs/dbraw/zinc/27/12/97/1129271297.db2.gz GUNQCBDXEHCAGM-LESCRADOSA-N 0 1 298.455 3.963 20 0 CHADMN C[C@H]1CCc2ccccc2[C@H]1NCc1cc(C2CC2)no1 ZINC000638823474 1129271649 /nfs/dbraw/zinc/27/16/49/1129271649.db2.gz SBSOGSCTYQRFFZ-SGTLLEGYSA-N 0 1 282.387 3.965 20 0 CHADMN COCC[C@@H](NCc1cc2ccccc2n1C)c1ccco1 ZINC000638968816 1129275551 /nfs/dbraw/zinc/27/55/51/1129275551.db2.gz NQQKRPWOPWZBFY-MRXNPFEDSA-N 0 1 298.386 3.639 20 0 CHADMN CC(C)CCC1CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000348044699 1129276038 /nfs/dbraw/zinc/27/60/38/1129276038.db2.gz BNHAVUHHEZKCFQ-UHFFFAOYSA-N 0 1 299.418 3.851 20 0 CHADMN CO[C@H](C)c1nc(CN[C@@H]2CC[C@@H]2C(C)(C)C)cs1 ZINC000348077271 1129277719 /nfs/dbraw/zinc/27/77/19/1129277719.db2.gz GUPMQBBQMGDZLR-KGYLQXTDSA-N 0 1 282.453 3.765 20 0 CHADMN C[C@H](NCc1nc2ccccc2n1C1CC1)[C@H]1CC1(F)F ZINC000639048655 1129277834 /nfs/dbraw/zinc/27/78/34/1129277834.db2.gz WRNDENGMCUZOQS-CMPLNLGQSA-N 0 1 291.345 3.505 20 0 CHADMN Cc1noc([C@H](C)N[C@@H](C)[C@@H]2CCC(C)=C(C)C2)n1 ZINC000639098567 1129280554 /nfs/dbraw/zinc/28/05/54/1129280554.db2.gz QIYPKHVSAVQSRX-SGMGOOAPSA-N 0 1 263.385 3.554 20 0 CHADMN C[C@]12CCCC[C@H]1CN2Cc1nc(-c2ccsc2)no1 ZINC000626105432 1129280899 /nfs/dbraw/zinc/28/08/99/1129280899.db2.gz GHHBKQXKYATMJL-WFASDCNBSA-N 0 1 289.404 3.563 20 0 CHADMN C[C@H](NCc1ccnc(Br)c1)c1ccsc1 ZINC000378863912 1129283930 /nfs/dbraw/zinc/28/39/30/1129283930.db2.gz WLWBCAJEWZFRCS-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN C[C@@H](C(=O)OCc1ccc(Cl)cc1)N1CCCCCC1 ZINC000733908859 1129284740 /nfs/dbraw/zinc/28/47/40/1129284740.db2.gz IFOKXXQYALRWCE-ZDUSSCGKSA-N 0 1 295.810 3.648 20 0 CHADMN Cc1cnc(CN[C@@H]2CC[C@H](c3cccc(F)c3)C2)o1 ZINC000639126501 1129284738 /nfs/dbraw/zinc/28/47/38/1129284738.db2.gz FMDFAVJIAQUIDY-DZGCQCFKSA-N 0 1 274.339 3.548 20 0 CHADMN C[C@H](N[C@@H](c1nnc[nH]1)C1CCCCC1)c1ccsc1 ZINC000639142170 1129286275 /nfs/dbraw/zinc/28/62/75/1129286275.db2.gz VUFCIQQDMAQYDG-SMDDNHRTSA-N 0 1 290.436 3.838 20 0 CHADMN c1cc([C@H]2CCCCN2Cc2cccc3ncccc23)n[nH]1 ZINC000639170558 1129288379 /nfs/dbraw/zinc/28/83/79/1129288379.db2.gz JPUFVJXKZYUOFI-GOSISDBHSA-N 0 1 292.386 3.685 20 0 CHADMN C[C@H](NCc1nccc(C(F)F)n1)[C@H]1CC2CCC1CC2 ZINC000639183659 1129290392 /nfs/dbraw/zinc/29/03/92/1129290392.db2.gz CKKRCZYSLZGLNG-YWPUVAFDSA-N 0 1 295.377 3.719 20 0 CHADMN CC(C)c1cnc(CN(C)[C@H]2CCc3ccccc3C2)o1 ZINC000734003197 1129290648 /nfs/dbraw/zinc/29/06/48/1129290648.db2.gz YRWFEICBWOJDCL-INIZCTEOSA-N 0 1 284.403 3.787 20 0 CHADMN CCc1cc(CNC(=O)[C@H](CC)CC2CCCCC2)n[nH]1 ZINC000733969976 1129291240 /nfs/dbraw/zinc/29/12/40/1129291240.db2.gz ZMWDZGYOUGZKRU-CQSZACIVSA-N 0 1 291.439 3.585 20 0 CHADMN Fc1ccc2oc(CN3C[C@@H](C4CC4)[C@H]3C3CC3)nc2c1 ZINC000639232748 1129295459 /nfs/dbraw/zinc/29/54/59/1129295459.db2.gz OINRQEBXQILEIY-SUMWQHHRSA-N 0 1 286.350 3.587 20 0 CHADMN CCn1nc(C)c(CN(C)Cc2ccc3occc3c2)c1C ZINC000639361344 1129306216 /nfs/dbraw/zinc/30/62/16/1129306216.db2.gz YBYDLUQCAMUKET-UHFFFAOYSA-N 0 1 297.402 3.898 20 0 CHADMN CC[C@@](C)(NCc1oc(C)nc1C)c1ccc(F)cc1 ZINC000639360663 1129306576 /nfs/dbraw/zinc/30/65/76/1129306576.db2.gz ZYTWHGSUSZGZPK-MRXNPFEDSA-N 0 1 276.355 3.846 20 0 CHADMN CCn1nc(C)c(CN(C)C/C=C/c2ccccc2)c1C ZINC000639360440 1129306604 /nfs/dbraw/zinc/30/66/04/1129306604.db2.gz KJVGRKVWUDJDBY-FMIVXFBMSA-N 0 1 283.419 3.665 20 0 CHADMN Cc1n[nH]c(C(=O)NC[C@@H]2CCCC[C@@H]2C(C)(C)C)c1C ZINC000734427955 1129308464 /nfs/dbraw/zinc/30/84/64/1129308464.db2.gz HPIDIGDDXWHAME-KBPBESRZSA-N 0 1 291.439 3.609 20 0 CHADMN CCCCC[C@@H](NC(=O)c1[nH]nc2c1CCC2)C(C)(C)C ZINC000734448858 1129308668 /nfs/dbraw/zinc/30/86/68/1129308668.db2.gz QTYUYLNNIJIMKL-CQSZACIVSA-N 0 1 291.439 3.623 20 0 CHADMN FCCC1CCN(Cc2cnc(-c3ccco3)s2)CC1 ZINC000639376428 1129309000 /nfs/dbraw/zinc/30/90/00/1129309000.db2.gz ITSYGJQRDLEVKW-UHFFFAOYSA-N 0 1 294.395 3.975 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H](C)c2csc3ccccc32)c1C ZINC000734435702 1129309033 /nfs/dbraw/zinc/30/90/33/1129309033.db2.gz RJIXWWAYEZLDCO-NSHDSACASA-N 0 1 299.399 3.732 20 0 CHADMN Cc1ccc(CNCc2nc(C(C)C)n3ccccc23)o1 ZINC000639387911 1129309793 /nfs/dbraw/zinc/30/97/93/1129309793.db2.gz WIMMRGCGUHYPGB-UHFFFAOYSA-N 0 1 283.375 3.649 20 0 CHADMN Cc1ccccc1[C@H]1CCN(Cc2nc(C3CCC3)no2)C1 ZINC000639469675 1129318381 /nfs/dbraw/zinc/31/83/81/1129318381.db2.gz WBBRCFUVHVPXSN-HNNXBMFYSA-N 0 1 297.402 3.635 20 0 CHADMN CCN(Cc1ccoc1)Cc1c(C)cc(C)nc1C ZINC000639471062 1129318785 /nfs/dbraw/zinc/31/87/85/1129318785.db2.gz UZBJBMDJOPUFED-UHFFFAOYSA-N 0 1 258.365 3.622 20 0 CHADMN Cc1cc(C)c(CN(C)[C@@H](C)c2cccc(O)c2)c(C)n1 ZINC000639531424 1129322097 /nfs/dbraw/zinc/32/20/97/1129322097.db2.gz DQHLBCQLYNRZHG-HNNXBMFYSA-N 0 1 284.403 3.905 20 0 CHADMN CCCCCN(CN1C(=O)C[C@H]1c1ccccc1)C(C)C ZINC000734829025 1129323286 /nfs/dbraw/zinc/32/32/86/1129323286.db2.gz FKMZGJMSVOHJHB-KRWDZBQOSA-N 0 1 288.435 3.818 20 0 CHADMN Cc1cc(C)c(CNC2(c3cccc(F)c3)CC2)c(C)n1 ZINC000639566493 1129323934 /nfs/dbraw/zinc/32/39/34/1129323934.db2.gz SCDLBCXXITVLCS-UHFFFAOYSA-N 0 1 284.378 3.925 20 0 CHADMN C[C@H](NCc1nc(C2CCC2)no1)[C@@H](C)c1ccccc1 ZINC000639570545 1129324221 /nfs/dbraw/zinc/32/42/21/1129324221.db2.gz POCAOMPDFRXGMB-OLZOCXBDSA-N 0 1 285.391 3.619 20 0 CHADMN O=C(c1cc(C(F)F)[nH]n1)N1CCC[C@H]1C1CCCCC1 ZINC000639554956 1129324400 /nfs/dbraw/zinc/32/44/00/1129324400.db2.gz MBVGBKHAJJMEJK-ZDUSSCGKSA-N 0 1 297.349 3.532 20 0 CHADMN c1ccc(-c2nnc(CN3CCCC4(CC4)CC3)s2)cc1 ZINC000626114691 1129324962 /nfs/dbraw/zinc/32/49/62/1129324962.db2.gz PLHNKKKKNXMNRR-UHFFFAOYSA-N 0 1 299.443 3.971 20 0 CHADMN COc1ccc(F)c(N=C2CCC(OC)CC2)c1Cl ZINC001212881075 1129332226 /nfs/dbraw/zinc/33/22/26/1129332226.db2.gz CCKVUKQICOGBLI-SNVBAGLBSA-N 0 1 285.746 3.982 20 0 CHADMN FC(F)c1cccc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000639779176 1129333084 /nfs/dbraw/zinc/33/30/84/1129333084.db2.gz YRAGZOXJHCCKMI-CQSZACIVSA-N 0 1 277.318 3.684 20 0 CHADMN FC(F)c1cccc(CN2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000639779176 1129333087 /nfs/dbraw/zinc/33/30/87/1129333087.db2.gz YRAGZOXJHCCKMI-CQSZACIVSA-N 0 1 277.318 3.684 20 0 CHADMN COc1ccccc1[C@H](N[C@H]1CC[C@H](C)C1)c1ccccn1 ZINC000090913339 1129335406 /nfs/dbraw/zinc/33/54/06/1129335406.db2.gz HTBWJJGFQMDFIZ-DOXZYTNZSA-N 0 1 296.414 3.958 20 0 CHADMN C(=C\c1ccccc1)\CCN1CCC[C@@H]1c1ncccn1 ZINC000639868408 1129336704 /nfs/dbraw/zinc/33/67/04/1129336704.db2.gz LVVLGFQPKGGVQC-BOHLGEJMSA-N 0 1 279.387 3.717 20 0 CHADMN Cc1nc(CNCc2c(C)cc(C)cc2C)sc1C ZINC000719557546 1129344489 /nfs/dbraw/zinc/34/44/89/1129344489.db2.gz SXUQLBCPQBSYJV-UHFFFAOYSA-N 0 1 274.433 3.975 20 0 CHADMN Cc1cc(C)c(CNCc2nc3c(s2)CCC3)cc1C ZINC000719570829 1129345308 /nfs/dbraw/zinc/34/53/08/1129345308.db2.gz NOAOGDPTOTXQIF-UHFFFAOYSA-N 0 1 286.444 3.847 20 0 CHADMN CCc1nc(C(C)C)ccc1CN[C@H]1CCCn2nccc21 ZINC000640220748 1129351851 /nfs/dbraw/zinc/35/18/51/1129351851.db2.gz OEYIOMAYGNIMSU-KRWDZBQOSA-N 0 1 298.434 3.589 20 0 CHADMN O=C(Nc1ccc(C2CCC2)cc1)c1cc(C(F)F)n[nH]1 ZINC000640233431 1129352819 /nfs/dbraw/zinc/35/28/19/1129352819.db2.gz VLSFXFUAQATBTA-UHFFFAOYSA-N 0 1 291.301 3.867 20 0 CHADMN C[C@H](CN(C)C(=O)c1cc(C(F)F)[nH]n1)C1CCCCC1 ZINC000640726958 1129366100 /nfs/dbraw/zinc/36/61/00/1129366100.db2.gz NBENTNWABHCTRR-SNVBAGLBSA-N 0 1 299.365 3.636 20 0 CHADMN CCC/C(C)=C/C(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000736074084 1129368961 /nfs/dbraw/zinc/36/89/61/1129368961.db2.gz JINOQQYHHKENNK-ZRDIBKRKSA-N 0 1 269.348 3.762 20 0 CHADMN CCC(=CC(=O)Nc1ccc2c(C)[nH]nc2c1)CC ZINC000091826222 1129371629 /nfs/dbraw/zinc/37/16/29/1129371629.db2.gz KRRPXLNWECUXNL-UHFFFAOYSA-N 0 1 257.337 3.556 20 0 CHADMN CC1(C)CCCC[C@@H]1Cn1cc([C@@H](N)c2ccccc2)nn1 ZINC000641161376 1129375228 /nfs/dbraw/zinc/37/52/28/1129375228.db2.gz XWBGSJNTPLGNSD-WBVHZDCISA-N 0 1 298.434 3.543 20 0 CHADMN CC(C)[C@H](NCc1ccccc1N(C)C)c1ccccn1 ZINC000736647692 1129378652 /nfs/dbraw/zinc/37/86/52/1129378652.db2.gz MASFAPCNVDRLHP-SFHVURJKSA-N 0 1 283.419 3.635 20 0 CHADMN CSc1ccc(CNCc2ccc(OC(F)F)cc2)o1 ZINC000641702868 1129387201 /nfs/dbraw/zinc/38/72/01/1129387201.db2.gz BOKBXBALYCLPFH-UHFFFAOYSA-N 0 1 299.342 3.893 20 0 CHADMN CSc1ccc(CNCc2ccc(C)cc2C)o1 ZINC000641708115 1129387792 /nfs/dbraw/zinc/38/77/92/1129387792.db2.gz OGHZIZORUKZDRF-UHFFFAOYSA-N 0 1 261.390 3.908 20 0 CHADMN Cc1sccc1CN[C@@H](C)c1nc2ccccc2n1C ZINC000641725306 1129389071 /nfs/dbraw/zinc/38/90/71/1129389071.db2.gz KGDCOZVAXDTOFC-NSHDSACASA-N 0 1 285.416 3.794 20 0 CHADMN CCO[C@H](CNCc1ccc(SC)o1)c1ccccc1 ZINC000641750120 1129389523 /nfs/dbraw/zinc/38/95/23/1129389523.db2.gz HYDPIOWNNBAOOB-OAHLLOKOSA-N 0 1 291.416 3.869 20 0 CHADMN COC[C@H](C)N[C@H](C)c1csc(-c2ccccc2F)n1 ZINC000641788823 1129392327 /nfs/dbraw/zinc/39/23/27/1129392327.db2.gz WTHWWKUXEFUDGQ-WDEREUQCSA-N 0 1 294.395 3.635 20 0 CHADMN CCCC[C@H](C)N(C)C(=O)c1ccc(CN(CC)CC)o1 ZINC000641852009 1129395057 /nfs/dbraw/zinc/39/50/57/1129395057.db2.gz NAOVMGNQZHSDET-AWEZNQCLSA-N 0 1 294.439 3.772 20 0 CHADMN COc1c(C)cnc(CNCc2ccc(C)cc2C)c1C ZINC000065276353 1129402201 /nfs/dbraw/zinc/40/22/01/1129402201.db2.gz IWTSHTNXXQPROP-UHFFFAOYSA-N 0 1 284.403 3.614 20 0 CHADMN C[C@H](N(C)Cc1nc(-c2cccs2)no1)C(C)(C)C ZINC000642095277 1129406225 /nfs/dbraw/zinc/40/62/25/1129406225.db2.gz UYHJZCHCHBBVHL-JTQLQIEISA-N 0 1 279.409 3.665 20 0 CHADMN CCC[C@H](NC(=O)c1[nH]nc2c1CCCC2)c1ccccc1 ZINC000642115295 1129406315 /nfs/dbraw/zinc/40/63/15/1129406315.db2.gz WAKCFTNGMQJIQZ-HNNXBMFYSA-N 0 1 297.402 3.560 20 0 CHADMN CCOc1cc(F)cc(-c2cccn3cncc23)c1 ZINC001241028840 1129410660 /nfs/dbraw/zinc/41/06/60/1129410660.db2.gz ZQESYXLBLSMPKY-UHFFFAOYSA-N 0 1 256.280 3.539 20 0 CHADMN Cc1ccc(-c2noc(CN(C)[C@H](C)C(C)C)n2)cc1 ZINC000642330258 1129414288 /nfs/dbraw/zinc/41/42/88/1129414288.db2.gz IUCXABOXIMHNEM-CYBMUJFWSA-N 0 1 273.380 3.521 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1ccc(C)cc1 ZINC000642604176 1129421035 /nfs/dbraw/zinc/42/10/35/1129421035.db2.gz SWPODPILSMGHLH-UHFFFAOYSA-N 0 1 291.354 3.946 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])C1 ZINC000248561552 1129422364 /nfs/dbraw/zinc/42/23/64/1129422364.db2.gz NNQBDYVUCRKSIU-UUAJXVIYSA-N 0 1 293.451 3.921 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN[C@@H](CCO)c2cccs2)o1 ZINC000740900370 1129424102 /nfs/dbraw/zinc/42/41/02/1129424102.db2.gz OPJIPGJHESPYCF-BNOWGMLFSA-N 0 1 291.416 3.678 20 0 CHADMN C[C@H](C(=O)OCc1ccccc1Cl)N1[C@H](C)CC[C@@H]1C ZINC000741021523 1129426577 /nfs/dbraw/zinc/42/65/77/1129426577.db2.gz ORDUTVBRASMIOO-FRRDWIJNSA-N 0 1 295.810 3.645 20 0 CHADMN Cc1cc(CN[C@H]2CCc3c2cc(F)cc3F)cc(C)n1 ZINC000643274063 1129434969 /nfs/dbraw/zinc/43/49/69/1129434969.db2.gz ZTYNHZOCOBAUBS-KRWDZBQOSA-N 0 1 288.341 3.754 20 0 CHADMN CC(C)Cn1ccnc1NCc1cnc2ccccc2c1 ZINC000795805943 1129447508 /nfs/dbraw/zinc/44/75/08/1129447508.db2.gz PRMLUZHEPKYHTM-UHFFFAOYSA-N 0 1 280.375 3.699 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@H](C)c1c[nH]nc1C ZINC000180179777 1129456739 /nfs/dbraw/zinc/45/67/39/1129456739.db2.gz WJROXCBVUIDZDR-IAQYHMDHSA-N 0 1 287.407 3.984 20 0 CHADMN Cn1cc(-c2cc3nc[nH]c3cc2F)c2ccccc21 ZINC001239542075 1131376143 /nfs/dbraw/zinc/37/61/43/1131376143.db2.gz WVCLTXUXZYHQIP-UHFFFAOYSA-N 0 1 265.291 3.861 20 0 CHADMN CCOc1ccc(C)cc1-c1ccc(CN(C)C)cn1 ZINC001241145385 1129465537 /nfs/dbraw/zinc/46/55/37/1129465537.db2.gz GVCZIOIHFJZUMG-UHFFFAOYSA-N 0 1 270.376 3.517 20 0 CHADMN CC(C)(C)Oc1ncccc1-c1cncc2cc[nH]c21 ZINC001241144429 1129466089 /nfs/dbraw/zinc/46/60/89/1129466089.db2.gz QJMGFGLRSXCWNY-UHFFFAOYSA-N 0 1 267.332 3.802 20 0 CHADMN CCc1nc(C)c(CNCc2cc(C)c3ncccc3c2)o1 ZINC000644447206 1129466759 /nfs/dbraw/zinc/46/67/59/1129466759.db2.gz HZNNCEREYQDMRE-UHFFFAOYSA-N 0 1 295.386 3.692 20 0 CHADMN Cc1ccc(C(C)(C)CN(C)Cn2cc(Cl)cn2)cc1 ZINC000742172103 1129468471 /nfs/dbraw/zinc/46/84/71/1129468471.db2.gz WQQXKAWTVQRPHK-UHFFFAOYSA-N 0 1 291.826 3.712 20 0 CHADMN Cc1cccc(F)c1CNCC1=Cc2ccccc2OC1 ZINC000742380419 1129472981 /nfs/dbraw/zinc/47/29/81/1129472981.db2.gz DLPQKOSPZSJAKK-UHFFFAOYSA-N 0 1 283.346 3.700 20 0 CHADMN Cc1cccc(F)c1CNCc1ccc(-n2cccn2)cc1 ZINC000742380427 1129473122 /nfs/dbraw/zinc/47/31/22/1129473122.db2.gz DNXPHRIPENCENL-UHFFFAOYSA-N 0 1 295.361 3.610 20 0 CHADMN CC[C@@](C)(NCc1cn2ccccc2n1)c1ccccc1 ZINC000742369835 1129474879 /nfs/dbraw/zinc/47/48/79/1129474879.db2.gz GQUZWNOUZAAEHB-GOSISDBHSA-N 0 1 279.387 3.749 20 0 CHADMN C[C@@H](c1ccccc1)N1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000206497867 1129480185 /nfs/dbraw/zinc/48/01/85/1129480185.db2.gz NJUJCVISMXJRKY-HNAYVOBHSA-N 0 1 292.382 3.693 20 0 CHADMN CCCCc1nc2ccc(NC(=O)/C=C/C3CC3)cc2[nH]1 ZINC000742589529 1129489251 /nfs/dbraw/zinc/48/92/51/1129489251.db2.gz ADPSMLXYQGWWPH-JXMROGBWSA-N 0 1 283.375 3.810 20 0 CHADMN C[C@H]1CC(CC[NH2+]Cc2cccc([O-])c2Cl)C[C@H](C)O1 ZINC000645178625 1129489979 /nfs/dbraw/zinc/48/99/79/1129489979.db2.gz JKMBPEKYMOQAPX-RYUDHWBXSA-N 0 1 297.826 3.729 20 0 CHADMN CC1([NH2+]Cc2cccc([O-])c2Cl)Cc2ccccc2C1 ZINC000645171249 1129490363 /nfs/dbraw/zinc/49/03/63/1129490363.db2.gz AECJXEQSMSMTKY-UHFFFAOYSA-N 0 1 287.790 3.693 20 0 CHADMN CC[C@H](N[C@@H](C)c1c[nH]nc1C)c1ccc(F)cc1F ZINC000180581390 1129494676 /nfs/dbraw/zinc/49/46/76/1129494676.db2.gz UVZXVLQHNUMNTG-VFZGTOFNSA-N 0 1 279.334 3.798 20 0 CHADMN C[C@H]1SCC[C@H]1Nc1ccnc2cc(F)ccc21 ZINC000645401763 1129497213 /nfs/dbraw/zinc/49/72/13/1129497213.db2.gz KXBPFDIVXCEFIV-BXKDBHETSA-N 0 1 262.353 3.680 20 0 CHADMN Cc1cc(-c2c(F)ccc(O)c2F)cc2nc[nH]c21 ZINC001241291553 1129508547 /nfs/dbraw/zinc/50/85/47/1129508547.db2.gz PTHSSMDXDYBGTN-UHFFFAOYSA-N 0 1 260.243 3.522 20 0 CHADMN Clc1ccc([C@@H]2CCN2CCC[C@H]2CCOC2)cc1 ZINC000645811963 1129508637 /nfs/dbraw/zinc/50/86/37/1129508637.db2.gz AQZJEVHWVWFTBX-BBRMVZONSA-N 0 1 279.811 3.904 20 0 CHADMN Cc1cccc(CCN2CCc3ccc(Cl)cc3C2)n1 ZINC000645842897 1129509483 /nfs/dbraw/zinc/50/94/83/1129509483.db2.gz YORGCXATCWPLBS-UHFFFAOYSA-N 0 1 286.806 3.644 20 0 CHADMN C[C@H](NCCc1c(F)cccc1F)c1c(F)cncc1F ZINC000645912948 1129512739 /nfs/dbraw/zinc/51/27/39/1129512739.db2.gz ZYCGVAGFPVOYLO-VIFPVBQESA-N 0 1 298.283 3.531 20 0 CHADMN Cc1cccc(C)c1CN(Cc1nccn1C)CC(C)C ZINC000645973353 1129515484 /nfs/dbraw/zinc/51/54/84/1129515484.db2.gz VLMHBCVCWZNRSD-UHFFFAOYSA-N 0 1 285.435 3.695 20 0 CHADMN Cc1ncsc1CNC1(c2ccccc2C)CC1 ZINC000645980704 1129516504 /nfs/dbraw/zinc/51/65/04/1129516504.db2.gz DQAQSOAEZIYHFX-UHFFFAOYSA-N 0 1 258.390 3.539 20 0 CHADMN CCOc1ccc(CNC2(c3ccccc3OC)CC2)cc1 ZINC000645999389 1129516280 /nfs/dbraw/zinc/51/62/80/1129516280.db2.gz YWSCNNGURJOWEE-UHFFFAOYSA-N 0 1 297.398 3.873 20 0 CHADMN C[C@@]1(Cc2ccccc2F)CCCN1Cc1nccs1 ZINC000646010733 1129516904 /nfs/dbraw/zinc/51/69/04/1129516904.db2.gz HHDJMEGOTWKEQJ-INIZCTEOSA-N 0 1 290.407 3.879 20 0 CHADMN CCOc1cccc(CNC2(c3cccc(C)c3)CCC2)n1 ZINC000646022014 1129518271 /nfs/dbraw/zinc/51/82/71/1129518271.db2.gz SYXWONUOQOAKFZ-UHFFFAOYSA-N 0 1 296.414 3.958 20 0 CHADMN CC1(C)CCC[C@@H]1[C@H]1CCN(Cc2nc(C3CC3)no2)C1 ZINC000646049734 1129518806 /nfs/dbraw/zinc/51/88/06/1129518806.db2.gz UIRLCDWBWVPHBL-UONOGXRCSA-N 0 1 289.423 3.595 20 0 CHADMN CC(C)[C@H](C)N(C)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743354587 1129520579 /nfs/dbraw/zinc/52/05/79/1129520579.db2.gz QFTDVVNZQPOVRR-WFASDCNBSA-N 0 1 294.826 3.547 20 0 CHADMN Cc1cc(CNCCc2ccc(Cl)cc2Cl)no1 ZINC000720380766 1129521057 /nfs/dbraw/zinc/52/10/57/1129521057.db2.gz VFFODIDGYAUEMU-UHFFFAOYSA-N 0 1 285.174 3.622 20 0 CHADMN C[C@@H]1C(=O)N(CN(C2CC2)C2CCCC2)[C@H]1c1ccccc1 ZINC000743353818 1129521174 /nfs/dbraw/zinc/52/11/74/1129521174.db2.gz HXRHGINAYDQGIT-KBXCAEBGSA-N 0 1 298.430 3.571 20 0 CHADMN Cc1nn(C)cc1CNC1(c2cccc(Cl)c2)CCC1 ZINC000646095510 1129522145 /nfs/dbraw/zinc/52/21/45/1129522145.db2.gz UADLXMSNWKHEOB-UHFFFAOYSA-N 0 1 289.810 3.551 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC000251309891 1129522192 /nfs/dbraw/zinc/52/21/92/1129522192.db2.gz JVSBJHJRHMLFJW-FQUUOJAGSA-N 0 1 277.412 3.799 20 0 CHADMN CC[C@H](NCc1cncc(F)c1)c1csc(C)c1 ZINC000646126647 1129523844 /nfs/dbraw/zinc/52/38/44/1129523844.db2.gz BXEUNCIBQZMVKB-AWEZNQCLSA-N 0 1 264.369 3.832 20 0 CHADMN FC(F)COCCN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646118228 1129523852 /nfs/dbraw/zinc/52/38/52/1129523852.db2.gz FSGGRAHAINRFGT-MRXNPFEDSA-N 0 1 293.357 3.661 20 0 CHADMN COCc1ccccc1/C=C(\C)CN1CC[C@H](C)[C@H](F)C1 ZINC000646153391 1129526863 /nfs/dbraw/zinc/52/68/63/1129526863.db2.gz WVJWSNPNZWRRBH-MHZPLBOYSA-N 0 1 291.410 3.916 20 0 CHADMN c1ccc2c(c1)ccnc2CN1CCOC[C@H]1CC1CCC1 ZINC000646296588 1129532014 /nfs/dbraw/zinc/53/20/14/1129532014.db2.gz CQWZZMCXKQZETF-QGZVFWFLSA-N 0 1 296.414 3.626 20 0 CHADMN Cc1ccc(CCN(C/C=C/Cl)C[C@H]2CCCO2)cc1 ZINC000743864491 1129542399 /nfs/dbraw/zinc/54/23/99/1129542399.db2.gz ZGBMDZPTSYJVAY-DFIVBLOKSA-N 0 1 293.838 3.771 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCC3(CCCC3)C2)n1 ZINC000743863330 1129543074 /nfs/dbraw/zinc/54/30/74/1129543074.db2.gz FRKATDHTKVDXAV-UHFFFAOYSA-N 0 1 297.402 3.811 20 0 CHADMN C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000743936569 1129544433 /nfs/dbraw/zinc/54/44/33/1129544433.db2.gz CJQICFAPEQPXGA-LLVKDONJSA-N 0 1 297.333 3.519 20 0 CHADMN CCc1ccc(NC(=O)[C@@H]2CCN2C2CCCC2)cc1C ZINC001137589508 1131381558 /nfs/dbraw/zinc/38/15/58/1131381558.db2.gz MAFLYOPPQISMRJ-KRWDZBQOSA-N 0 1 286.419 3.513 20 0 CHADMN CC(C)=C[C@H]1[C@H](c2nc(C3(N)CCCC3)no2)C1(C)C ZINC000647137779 1129551836 /nfs/dbraw/zinc/55/18/36/1129551836.db2.gz UAQJIRSNWYALIS-NWDGAFQWSA-N 0 1 275.396 3.503 20 0 CHADMN Cc1ccccc1C1(c2nc([C@H]3CCCN3)no2)CCCC1 ZINC000647144601 1129551870 /nfs/dbraw/zinc/55/18/70/1129551870.db2.gz BJRDXZSGYONLON-OAHLLOKOSA-N 0 1 297.402 3.663 20 0 CHADMN Cc1ccccc1C1(c2nc([C@@H]3CCCN3)no2)CCCC1 ZINC000647144600 1129551880 /nfs/dbraw/zinc/55/18/80/1129551880.db2.gz BJRDXZSGYONLON-HNNXBMFYSA-N 0 1 297.402 3.663 20 0 CHADMN CCC[C@H](c1nc(C2(N)CCCC2)no1)c1ccccc1 ZINC000647135764 1129552209 /nfs/dbraw/zinc/55/22/09/1129552209.db2.gz DAIMBHSQBQGGGJ-AWEZNQCLSA-N 0 1 285.391 3.730 20 0 CHADMN C/C(=C/c1nc([C@H]2CCCN2)no1)c1ccccc1Cl ZINC000647150992 1129552568 /nfs/dbraw/zinc/55/25/68/1129552568.db2.gz SYCITTVWTZGFEK-ASCRHOAZSA-N 0 1 289.766 3.708 20 0 CHADMN Fc1ccc2c(c1)CN(Cc1cccc3ncccc13)CC2 ZINC001137629323 1129552746 /nfs/dbraw/zinc/55/27/46/1129552746.db2.gz HRENNBCGPDYRLD-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN CC[C@@H](Sc1ccccc1)c1nc([C@H]2CCCN2)no1 ZINC000647149492 1129552866 /nfs/dbraw/zinc/55/28/66/1129552866.db2.gz MYGVXOOWLBWNJS-CHWSQXEVSA-N 0 1 289.404 3.738 20 0 CHADMN CC(C)Cn1nccc1CNC(C)(C)c1cccc(F)c1 ZINC000647184879 1129555071 /nfs/dbraw/zinc/55/50/71/1129555071.db2.gz GBJUAWGDEAVCPV-UHFFFAOYSA-N 0 1 289.398 3.703 20 0 CHADMN CCc1ncc(CNC2(c3cccc(C)c3)CCC2)cn1 ZINC000647236908 1129560037 /nfs/dbraw/zinc/56/00/37/1129560037.db2.gz VEJWTQUENKRIKJ-UHFFFAOYSA-N 0 1 281.403 3.516 20 0 CHADMN CCn1cncc1CNC1(c2cccc(Cl)c2)CCC1 ZINC000647251876 1129560802 /nfs/dbraw/zinc/56/08/02/1129560802.db2.gz NMCJWKIGCHGGBX-UHFFFAOYSA-N 0 1 289.810 3.725 20 0 CHADMN Cc1cccc2c1CC[C@H]2N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647293073 1129564993 /nfs/dbraw/zinc/56/49/93/1129564993.db2.gz RYASNOLWVJKDQQ-KBXCAEBGSA-N 0 1 295.430 3.866 20 0 CHADMN Cc1nc2cc(NC3CCC(F)(F)CC3)ccc2n1C ZINC000647298828 1129566056 /nfs/dbraw/zinc/56/60/56/1129566056.db2.gz OXNATWJOIFJDFR-UHFFFAOYSA-N 0 1 279.334 3.872 20 0 CHADMN CC[C@H](C)C[C@H](CO)N[C@H](C)c1csc(C(C)C)n1 ZINC000647336816 1129571390 /nfs/dbraw/zinc/57/13/90/1129571390.db2.gz GSOFQASPLOPFLT-YNEHKIRRSA-N 0 1 284.469 3.714 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](CCO)c2ccccc2F)s1 ZINC000647344970 1129572230 /nfs/dbraw/zinc/57/22/30/1129572230.db2.gz BZXZKHCSZXFKSH-WFASDCNBSA-N 0 1 293.407 3.970 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](CCO)c2ccccc2F)cc1 ZINC000647345353 1129572545 /nfs/dbraw/zinc/57/25/45/1129572545.db2.gz IDCIVSYDRWGMOZ-KBXCAEBGSA-N 0 1 287.378 3.908 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](CCO)c2ccccc2F)cc1 ZINC000647345356 1129572674 /nfs/dbraw/zinc/57/26/74/1129572674.db2.gz IDCIVSYDRWGMOZ-RDTXWAMCSA-N 0 1 287.378 3.908 20 0 CHADMN CN(CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CCC1 ZINC000744410243 1129577263 /nfs/dbraw/zinc/57/72/63/1129577263.db2.gz XJJKJYAJNIENTJ-UHFFFAOYSA-N 0 1 294.398 3.776 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1Cn1ccn(C(C)C)c1=S ZINC000744442093 1129578286 /nfs/dbraw/zinc/57/82/86/1129578286.db2.gz WYKZVOHPWLOXNT-QWHCGFSZSA-N 0 1 267.442 3.678 20 0 CHADMN O=C(CCCC1CCCC1)Nc1n[nH]c2cc(O)ccc21 ZINC000647797570 1129584698 /nfs/dbraw/zinc/58/46/98/1129584698.db2.gz SYTZGCOHMFRQFI-UHFFFAOYSA-N 0 1 287.363 3.568 20 0 CHADMN CCn1cc(CN2CC3(CC=CC3)[C@H]2c2ccccc2)cn1 ZINC000648074241 1129596884 /nfs/dbraw/zinc/59/68/84/1129596884.db2.gz GDXOMDAMRGJZJS-GOSISDBHSA-N 0 1 293.414 3.796 20 0 CHADMN C[C@H](N[C@@H]1CSCc2ccccc21)c1ccccn1 ZINC000037219059 1129597397 /nfs/dbraw/zinc/59/73/97/1129597397.db2.gz YQYXBUYRZHJBAR-BLLLJJGKSA-N 0 1 270.401 3.720 20 0 CHADMN Cc1ncc([C@@H](C)NC2(c3cccc(F)c3)CC2)s1 ZINC000182211004 1129600336 /nfs/dbraw/zinc/60/03/36/1129600336.db2.gz USBSUBWFROIJNL-SNVBAGLBSA-N 0 1 276.380 3.931 20 0 CHADMN Cc1nsc2nc(-c3ccc4[nH]cnc4c3)ccc12 ZINC001241688496 1129602220 /nfs/dbraw/zinc/60/22/20/1129602220.db2.gz UYOYDYYHMUECMD-UHFFFAOYSA-N 0 1 266.329 3.543 20 0 CHADMN Cc1cc(CN2C[C@@H]3C[C@H]2C[C@H]3F)ccc1Br ZINC001137615485 1131386407 /nfs/dbraw/zinc/38/64/07/1131386407.db2.gz OELJVFVUCGBHFB-SGMGOOAPSA-N 0 1 298.199 3.690 20 0 CHADMN Cc1nc2ccc(N3c4ccc(N)cc4CC[C@H]3C)cc2[nH]1 ZINC001213073226 1129624976 /nfs/dbraw/zinc/62/49/76/1129624976.db2.gz KCUFXXHSIVGGIK-LLVKDONJSA-N 0 1 292.386 3.926 20 0 CHADMN COc1cc(Cl)ccc1-c1cncc2cc[nH]c21 ZINC001241897356 1129629581 /nfs/dbraw/zinc/62/95/81/1129629581.db2.gz OMHZHKAUIFYBHT-UHFFFAOYSA-N 0 1 258.708 3.892 20 0 CHADMN CC(C)C1=NCCc2ccc(-c3cscn3)cc21 ZINC001241892240 1129629923 /nfs/dbraw/zinc/62/99/23/1129629923.db2.gz BSRSIESJDBCFJA-UHFFFAOYSA-N 0 1 256.374 3.811 20 0 CHADMN Cc1nc2ccc(N3c4ccc(N)cc4CC[C@@H]3C)cc2[nH]1 ZINC001213073227 1129632164 /nfs/dbraw/zinc/63/21/64/1129632164.db2.gz KCUFXXHSIVGGIK-NSHDSACASA-N 0 1 292.386 3.926 20 0 CHADMN CCC(CC)CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187980755 1129636986 /nfs/dbraw/zinc/63/69/86/1129636986.db2.gz GZTZBMZIFDVKSI-OAHLLOKOSA-N 0 1 275.371 3.664 20 0 CHADMN CC(=O)c1cccc(CN2CCC(c3cccnc3)CC2)c1 ZINC000649406245 1129643815 /nfs/dbraw/zinc/64/38/15/1129643815.db2.gz CKVKKJUPXCDANS-UHFFFAOYSA-N 0 1 294.398 3.664 20 0 CHADMN [O-]c1cccc2c(NC[C@@H]3CCOC4(CCC4)C3)cc[nH+]c12 ZINC000649423719 1129645179 /nfs/dbraw/zinc/64/51/79/1129645179.db2.gz FCWHBGYBYRUHID-CYBMUJFWSA-N 0 1 298.386 3.702 20 0 CHADMN OCc1nc2ccc(-c3ccc4c(c3)CCCC4)cc2[nH]1 ZINC000649425596 1129646023 /nfs/dbraw/zinc/64/60/23/1129646023.db2.gz ZZDXMZIFTJITCC-UHFFFAOYSA-N 0 1 278.355 3.601 20 0 CHADMN COc1ccc(-c2ccc(CN(C)C)c(F)c2)c(OC)c1 ZINC000649437843 1129648610 /nfs/dbraw/zinc/64/86/10/1129648610.db2.gz HBKHFBBVPJTTFW-UHFFFAOYSA-N 0 1 289.350 3.572 20 0 CHADMN COc1ccc(OC)c(-c2ccc(CN(C)C)c(F)c2)c1 ZINC000649437880 1129648759 /nfs/dbraw/zinc/64/87/59/1129648759.db2.gz ITERBYKIGQMFAM-UHFFFAOYSA-N 0 1 289.350 3.572 20 0 CHADMN CC(C)[C@@H](O)Cc1ccccc1-c1cc(C(F)(F)F)n[nH]1 ZINC000649444205 1129650384 /nfs/dbraw/zinc/65/03/84/1129650384.db2.gz HZQFKOINPXLKFG-ZDUSSCGKSA-N 0 1 298.308 3.655 20 0 CHADMN Cc1nc([C@@H](C)NCCOC2CCCCC2)c(C)s1 ZINC000104442613 1129655408 /nfs/dbraw/zinc/65/54/08/1129655408.db2.gz GMBRIHOHFAGNHF-LLVKDONJSA-N 0 1 282.453 3.760 20 0 CHADMN C[C@@H](NCc1cc2n(n1)CCC2)c1cccc2ccccc21 ZINC000649573531 1129659454 /nfs/dbraw/zinc/65/94/54/1129659454.db2.gz GWTRNJFGUBAVNB-CQSZACIVSA-N 0 1 291.398 3.833 20 0 CHADMN Cc1ccnc(CN[C@H](C)c2cc(C)cc(C)c2)c1 ZINC000392834396 1129659730 /nfs/dbraw/zinc/65/97/30/1129659730.db2.gz ICTZWDYGIQWGEQ-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN C[C@@]1(CN2CC=C(C(F)(F)F)CC2)CC1(Cl)Cl ZINC000828499324 1131388843 /nfs/dbraw/zinc/38/88/43/1131388843.db2.gz VRQANEANBMSOCF-VIFPVBQESA-N 0 1 288.140 3.765 20 0 CHADMN Oc1ccc(-c2ccc3nc[nH]c3c2)cc1C(F)(F)F ZINC001242157543 1129663906 /nfs/dbraw/zinc/66/39/06/1129663906.db2.gz INAFQFCZCKCXQW-UHFFFAOYSA-N 0 1 278.233 3.954 20 0 CHADMN Cc1cnc(NCCCCc2ccccn2)c2[nH]ccc21 ZINC001168793837 1129665888 /nfs/dbraw/zinc/66/58/88/1129665888.db2.gz ZFQSXNMCACGPKU-UHFFFAOYSA-N 0 1 280.375 3.701 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CCC(C2(O)CC2)CC1 ZINC000649671516 1129669535 /nfs/dbraw/zinc/66/95/35/1129669535.db2.gz ZAZAOPQRHKPALQ-INIZCTEOSA-N 0 1 295.373 3.653 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1CCC(C2(O)CC2)CC1 ZINC000649674488 1129669671 /nfs/dbraw/zinc/66/96/71/1129669671.db2.gz UJCAARQFIYBWKC-LLVKDONJSA-N 0 1 297.801 3.777 20 0 CHADMN C[C@@]1(Cc2cccc(Cl)c2)CCCN1Cc1ccon1 ZINC000649684690 1129670213 /nfs/dbraw/zinc/67/02/13/1129670213.db2.gz ZOAVHTQYPRLHIC-INIZCTEOSA-N 0 1 290.794 3.925 20 0 CHADMN CC(C)O[C@@H]1CCCN([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000649700016 1129671831 /nfs/dbraw/zinc/67/18/31/1129671831.db2.gz XFZGIXYCJUKZSP-TZMCWYRMSA-N 0 1 283.362 3.915 20 0 CHADMN CC(C)O[C@H]1CCCN([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000649700015 1129672260 /nfs/dbraw/zinc/67/22/60/1129672260.db2.gz XFZGIXYCJUKZSP-OCCSQVGLSA-N 0 1 283.362 3.915 20 0 CHADMN CC[C@@H]1CN(Cc2cc(C)nc3ccccc23)[C@H](C)CO1 ZINC000649734484 1129673783 /nfs/dbraw/zinc/67/37/83/1129673783.db2.gz XOTLTNXXTURALL-GDBMZVCRSA-N 0 1 284.403 3.543 20 0 CHADMN CCC[C@H](C)NC(=O)[C@@H](C)N[C@@H](CC)c1ccccc1F ZINC000649738656 1129673964 /nfs/dbraw/zinc/67/39/64/1129673964.db2.gz PVCILCDLFVOPDB-ZENOOKHLSA-N 0 1 294.414 3.560 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnccn1)c1ccc(C)c(F)c1 ZINC001168826211 1129674395 /nfs/dbraw/zinc/67/43/95/1129674395.db2.gz PSBGKTKSIBAGAT-WFASDCNBSA-N 0 1 273.355 3.726 20 0 CHADMN CC[C@H](NCc1cncc(F)c1)c1ccccc1F ZINC000649740824 1129674850 /nfs/dbraw/zinc/67/48/50/1129674850.db2.gz RSRFAIKKNCVCLE-HNNXBMFYSA-N 0 1 262.303 3.601 20 0 CHADMN Cc1ccc([C@H](C)Nc2cc(C(C)C)nc(N(C)C)n2)nc1 ZINC001168853236 1129676529 /nfs/dbraw/zinc/67/65/29/1129676529.db2.gz YABCEMALWAQPRI-ZDUSSCGKSA-N 0 1 299.422 3.543 20 0 CHADMN C[C@@H](NC1(C2CCC2)CC1)c1nc(-c2ccccc2)no1 ZINC000649806971 1129678390 /nfs/dbraw/zinc/67/83/90/1129678390.db2.gz HOWBOSDEACQWEI-GFCCVEGCSA-N 0 1 283.375 3.720 20 0 CHADMN Fc1ccc(-c2cnc(CNC3(C4CCC4)CC3)o2)cc1 ZINC000649807153 1129678585 /nfs/dbraw/zinc/67/85/85/1129678585.db2.gz MMMBZCSVNJROLE-UHFFFAOYSA-N 0 1 286.350 3.903 20 0 CHADMN CC[C@@]1(C)COCCN1CCSc1cccc(Cl)c1 ZINC001168848843 1129679522 /nfs/dbraw/zinc/67/95/22/1129679522.db2.gz RXFVPDCGSVOYJB-HNNXBMFYSA-N 0 1 299.867 3.933 20 0 CHADMN C[C@H]1CN(Cc2nc(C(C)(C)C)no2)CCc2ccccc21 ZINC000649833782 1129680400 /nfs/dbraw/zinc/68/04/00/1129680400.db2.gz WPGHNPUJPKXHII-ZDUSSCGKSA-N 0 1 299.418 3.529 20 0 CHADMN C[C@@H]1CN(Cc2nc(C(C)(C)C)no2)CCc2ccccc21 ZINC000649833781 1129680457 /nfs/dbraw/zinc/68/04/57/1129680457.db2.gz WPGHNPUJPKXHII-CYBMUJFWSA-N 0 1 299.418 3.529 20 0 CHADMN C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001169013553 1129689741 /nfs/dbraw/zinc/68/97/41/1129689741.db2.gz IEXZTCSVFYLWBF-CJNGLKHVSA-N 0 1 297.402 3.518 20 0 CHADMN CC(C)(C)CC(C)(C)Nc1cc(O[C@H]2CCOC2)ccn1 ZINC001169052957 1129693107 /nfs/dbraw/zinc/69/31/07/1129693107.db2.gz SMWQGXYCUNWADY-AWEZNQCLSA-N 0 1 292.423 3.876 20 0 CHADMN CCn1cc([C@H](C)N[C@@H]2CCc3c2cc(F)cc3F)cn1 ZINC000650210139 1129700332 /nfs/dbraw/zinc/70/03/32/1129700332.db2.gz CSXIYVHEFPVSII-MGPLVRAMSA-N 0 1 291.345 3.519 20 0 CHADMN COC(=O)[C@@H]1CCCCCN1CC/C=C\c1ccccc1 ZINC001169153641 1129705049 /nfs/dbraw/zinc/70/50/49/1129705049.db2.gz QGHICDLWBRGRQS-PJCWUCBCSA-N 0 1 287.403 3.508 20 0 CHADMN CC(C)(C)C[C@@H]1CCN(Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000650334247 1129705129 /nfs/dbraw/zinc/70/51/29/1129705129.db2.gz CXSKFHGCZJQXSW-ZDUSSCGKSA-N 0 1 299.418 3.594 20 0 CHADMN CC(C)c1ccc(-c2noc(-c3coc(CN)c3)n2)cc1 ZINC000822650015 1131392062 /nfs/dbraw/zinc/39/20/62/1131392062.db2.gz LYKAKCNGDQWLHQ-UHFFFAOYSA-N 0 1 283.331 3.579 20 0 CHADMN Fc1cc2[nH]cnc2cc1N[C@H](C1CCC1)C(F)(F)F ZINC001169288251 1129716205 /nfs/dbraw/zinc/71/62/05/1129716205.db2.gz RGGWSLLZAZKEEE-GFCCVEGCSA-N 0 1 287.260 3.845 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(-c2ccccc2)cs1 ZINC000650806771 1129723335 /nfs/dbraw/zinc/72/33/35/1129723335.db2.gz IMWAYSQTNLZIRQ-HNNXBMFYSA-N 0 1 289.400 3.710 20 0 CHADMN CCCCCC[C@@H](C)CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000766691892 1129725636 /nfs/dbraw/zinc/72/56/36/1129725636.db2.gz NFUXBBRFVXAGKS-UKRRQHHQSA-N 0 1 291.439 3.900 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCC[C@@H](F)CC1 ZINC001137656548 1131393781 /nfs/dbraw/zinc/39/37/81/1131393781.db2.gz KVVLCMKXTKTCKB-GFCCVEGCSA-N 0 1 259.727 3.803 20 0 CHADMN CC[C@H](NCc1cccnc1OC(C)C)c1ccncc1 ZINC000651190002 1129731786 /nfs/dbraw/zinc/73/17/86/1129731786.db2.gz DTGMMUZQKSNFBP-INIZCTEOSA-N 0 1 285.391 3.505 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@H](C)c1csc(C)c1 ZINC000651215837 1129733225 /nfs/dbraw/zinc/73/32/25/1129733225.db2.gz GGWQBKPTIWURBG-CYBMUJFWSA-N 0 1 290.432 3.928 20 0 CHADMN Cc1ccnc(NC[C@@H](C)c2ccc(O)cc2)c1C ZINC001169535282 1129733474 /nfs/dbraw/zinc/73/34/74/1129733474.db2.gz MEJVPKGVTDTWTN-GFCCVEGCSA-N 0 1 256.349 3.620 20 0 CHADMN C[C@H](Nc1ccc2c(c1)nc1cc[nH]cc2-1)c1cnccn1 ZINC001169538643 1129734335 /nfs/dbraw/zinc/73/43/35/1129734335.db2.gz QQLDYOFFNMGQIG-NSHDSACASA-N 0 1 289.342 3.679 20 0 CHADMN CCCCC(=O)[C@H](C)Nc1ccc(C)cc1CN(C)C ZINC001169550319 1129735426 /nfs/dbraw/zinc/73/54/26/1129735426.db2.gz BNHOXTXHQNEKTR-AWEZNQCLSA-N 0 1 276.424 3.616 20 0 CHADMN C[C@@H](NC1(c2ccc(F)cc2)CCCC1)c1ccncn1 ZINC000651291969 1129736274 /nfs/dbraw/zinc/73/62/74/1129736274.db2.gz UTNOJYVAOKHLFD-CYBMUJFWSA-N 0 1 285.366 3.736 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCCC(F)(F)C1 ZINC000651384674 1129738315 /nfs/dbraw/zinc/73/83/15/1129738315.db2.gz CCTILJWYCYUGJH-UHFFFAOYSA-N 0 1 266.266 3.609 20 0 CHADMN Cc1cc(CN[C@H]2CCOc3c(Cl)cccc32)ccn1 ZINC000651389009 1129738983 /nfs/dbraw/zinc/73/89/83/1129738983.db2.gz NKNJHCCIOUQWEU-HNNXBMFYSA-N 0 1 288.778 3.657 20 0 CHADMN c1csc([C@@H](NCc2cnc(C3CC3)o2)C2CC2)c1 ZINC000651470801 1129740231 /nfs/dbraw/zinc/74/02/31/1129740231.db2.gz YPVHIFLNFPOBRQ-AWEZNQCLSA-N 0 1 274.389 3.854 20 0 CHADMN Cc1cc(Br)c(CN2CC(C3CC3)C2)s1 ZINC000651590153 1129741940 /nfs/dbraw/zinc/74/19/40/1129741940.db2.gz VJIMKWGNQJUSJB-UHFFFAOYSA-N 0 1 286.238 3.661 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2cc3cnccc3o2)n1 ZINC000651641375 1129742490 /nfs/dbraw/zinc/74/24/90/1129742490.db2.gz QATIFYCZODXREY-KRWDZBQOSA-N 0 1 293.370 3.868 20 0 CHADMN CC(C)c1nc(CN[C@@H](C)c2ccccn2)c2ccccn21 ZINC000651666410 1129743653 /nfs/dbraw/zinc/74/36/53/1129743653.db2.gz BDRDSTYLRRHAOZ-AWEZNQCLSA-N 0 1 294.402 3.704 20 0 CHADMN c1c2cnccc2oc1CN1CCC[C@H]1c1cccnc1 ZINC000651807672 1129748524 /nfs/dbraw/zinc/74/85/24/1129748524.db2.gz MWOBLWYONISWQL-INIZCTEOSA-N 0 1 279.343 3.560 20 0 CHADMN BrC1=CCCN(CC2CC3(CCC3)C2)C1 ZINC001169734727 1129753755 /nfs/dbraw/zinc/75/37/55/1129753755.db2.gz XPISJHFFIPIZAB-UHFFFAOYSA-N 0 1 270.214 3.551 20 0 CHADMN Cc1cc(CN[C@H](CC(C)C)c2ccc(F)cc2)ncn1 ZINC000652171593 1129759066 /nfs/dbraw/zinc/75/90/66/1129759066.db2.gz QYVPRKGRITVQJT-QGZVFWFLSA-N 0 1 287.382 3.801 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H]1N[C@@H](C)c1nccs1 ZINC000652239991 1129760786 /nfs/dbraw/zinc/76/07/86/1129760786.db2.gz LXXGTRYZAUIDMO-FPMFFAJLSA-N 0 1 258.390 3.658 20 0 CHADMN Cc1[nH]ncc1[C@@H](C)Nc1cnn(-c2ccc(F)cc2)c1C ZINC000652229203 1129761205 /nfs/dbraw/zinc/76/12/05/1129761205.db2.gz GFSXZECELDRXIM-SNVBAGLBSA-N 0 1 299.353 3.524 20 0 CHADMN Cc1[nH]ncc1[C@H](C)Nc1cnn(-c2ccc(F)cc2)c1C ZINC000652229202 1129761327 /nfs/dbraw/zinc/76/13/27/1129761327.db2.gz GFSXZECELDRXIM-JTQLQIEISA-N 0 1 299.353 3.524 20 0 CHADMN C[C@H]([N@@H+](C)Cc1c(Cl)cccc1C(=O)[O-])C(C)(C)C ZINC000652394637 1129764375 /nfs/dbraw/zinc/76/43/75/1129764375.db2.gz WYXDFWBCSSQCKK-JTQLQIEISA-N 0 1 283.799 3.905 20 0 CHADMN C[N@@H+](CCC(C)(C)C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000652416754 1129765140 /nfs/dbraw/zinc/76/51/40/1129765140.db2.gz BLGBLVZCWSJQDV-UHFFFAOYSA-N 0 1 283.799 3.906 20 0 CHADMN CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000652450936 1129766018 /nfs/dbraw/zinc/76/60/18/1129766018.db2.gz LXFLTZMAXSPJQQ-JSGCOSHPSA-N 0 1 291.391 3.626 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@]12C[C@H]1CCCC2 ZINC000867012689 1129766773 /nfs/dbraw/zinc/76/67/73/1129766773.db2.gz IXIPKYIJJORNIS-YMTOWFKASA-N 0 1 265.740 3.564 20 0 CHADMN COc1ccc(-c2ccc(CN(C)C)c(F)c2)cc1F ZINC001239580688 1131397009 /nfs/dbraw/zinc/39/70/09/1131397009.db2.gz IGBMPYCJWKPQBE-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN CCN(C)c1ccccc1CNCc1cc(C)oc1C ZINC000767353113 1129787309 /nfs/dbraw/zinc/78/73/09/1129787309.db2.gz PZXLBPPSLDSSHD-UHFFFAOYSA-N 0 1 272.392 3.642 20 0 CHADMN Oc1c(F)cccc1-c1cc(-c2ccncc2)ccn1 ZINC001242349594 1129788815 /nfs/dbraw/zinc/78/88/15/1129788815.db2.gz OBHNVZCNIWDIOM-UHFFFAOYSA-N 0 1 266.275 3.655 20 0 CHADMN COc1ccc2c(c1)OCC[C@@H]2NCc1cc(C)oc1C ZINC000767375285 1129790721 /nfs/dbraw/zinc/79/07/21/1129790721.db2.gz ZOGGUYZOKYCEAP-INIZCTEOSA-N 0 1 287.359 3.518 20 0 CHADMN Cc1ccnc([C@@H]2CCN(Cc3ccc(F)c(F)c3)C2)c1 ZINC000653746575 1129793517 /nfs/dbraw/zinc/79/35/17/1129793517.db2.gz AFYOMEWYHXKQEP-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN C[C@@H](NC[C@@H](O)c1ccc2ccccc2c1)c1cscn1 ZINC000768105243 1129832041 /nfs/dbraw/zinc/83/20/41/1129832041.db2.gz KQVJCLGIWOKLMZ-SJKOYZFVSA-N 0 1 298.411 3.681 20 0 CHADMN Brc1ccoc1CN1CCCCCCC1 ZINC000768143691 1129832825 /nfs/dbraw/zinc/83/28/25/1129832825.db2.gz MCCQDJARXDVUIA-UHFFFAOYSA-N 0 1 272.186 3.808 20 0 CHADMN CCOc1ccc(CN(C)Cc2cc(C)oc2C)cc1 ZINC000768162808 1129837977 /nfs/dbraw/zinc/83/79/77/1129837977.db2.gz JASQKGSFZBYXEG-UHFFFAOYSA-N 0 1 273.376 3.927 20 0 CHADMN C[C@@H]1CN(Cc2n[nH]c3ccccc32)Cc2ccccc21 ZINC000768195019 1129842327 /nfs/dbraw/zinc/84/23/27/1129842327.db2.gz IVJQWLUHCXHPMA-CYBMUJFWSA-N 0 1 277.371 3.682 20 0 CHADMN Brc1cccc(CN2CCCCCCC2)n1 ZINC000381630601 1129842980 /nfs/dbraw/zinc/84/29/80/1129842980.db2.gz MPKYLTNTTYNFMY-UHFFFAOYSA-N 0 1 283.213 3.610 20 0 CHADMN CCn1nccc1CN1CC=C(c2ccc(C)cc2)CC1 ZINC000768214412 1129843878 /nfs/dbraw/zinc/84/38/78/1129843878.db2.gz JXIZPCRFTVYOHO-UHFFFAOYSA-N 0 1 281.403 3.501 20 0 CHADMN Cc1cccc(CN(C)Cc2cnc(Cl)c(C)c2)c1 ZINC000768253040 1129846391 /nfs/dbraw/zinc/84/63/91/1129846391.db2.gz WLEORZLLXSKJLA-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN C[C@@H]1CCC[C@@H](N(C)Cc2c(Cl)nc(Cl)n2C)C1 ZINC000768261344 1129848062 /nfs/dbraw/zinc/84/80/62/1129848062.db2.gz CFFLJRIYUGOECC-NXEZZACHSA-N 0 1 290.238 3.737 20 0 CHADMN CN(Cc1ccc2c(c1)COC2)Cc1ccc(F)c(F)c1 ZINC000768264100 1129849231 /nfs/dbraw/zinc/84/92/31/1129849231.db2.gz ZSRJMGNGOGBJJU-UHFFFAOYSA-N 0 1 289.325 3.627 20 0 CHADMN CC(C)(C)c1coc(CNCC(C)(C)C(C)(F)F)n1 ZINC000724359699 1129852643 /nfs/dbraw/zinc/85/26/43/1129852643.db2.gz YSGJMGUTFKTLDW-UHFFFAOYSA-N 0 1 274.355 3.743 20 0 CHADMN Cc1cc(Cl)nc(CNCc2cc3ccccc3[nH]2)c1 ZINC000800283458 1129864113 /nfs/dbraw/zinc/86/41/13/1129864113.db2.gz SKHXLDCRGUCSAJ-UHFFFAOYSA-N 0 1 285.778 3.815 20 0 CHADMN CCCC[C@@H](C)C(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000800402479 1129869934 /nfs/dbraw/zinc/86/99/34/1129869934.db2.gz ZNTRGDKQASKDOS-CABCVRRESA-N 0 1 293.407 3.614 20 0 CHADMN CCCC[C@@H](C)C(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000800402479 1129869937 /nfs/dbraw/zinc/86/99/37/1129869937.db2.gz ZNTRGDKQASKDOS-CABCVRRESA-N 0 1 293.407 3.614 20 0 CHADMN CC[C@@H](C)CN(C)Cc1occc1Br ZINC000768766234 1129871609 /nfs/dbraw/zinc/87/16/09/1129871609.db2.gz IAAJLQJKCWGIND-SECBINFHSA-N 0 1 260.175 3.520 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)Cc2ccccc2Cl)no1 ZINC000800502354 1129880992 /nfs/dbraw/zinc/88/09/92/1129880992.db2.gz AOJGWELTNOEULR-PWSUYJOCSA-N 0 1 278.783 3.918 20 0 CHADMN Cc1cc(CN2CCOc3ccccc3[C@H]2C)c(C)o1 ZINC000768928865 1129882449 /nfs/dbraw/zinc/88/24/49/1129882449.db2.gz FAWWGOSYQQNGCI-CYBMUJFWSA-N 0 1 271.360 3.852 20 0 CHADMN CCCCN(C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21)[C@@H](C)CC ZINC000900631588 1129888240 /nfs/dbraw/zinc/88/82/40/1129888240.db2.gz OTHAECODAXMCDP-VNHYZAJKSA-N 0 1 291.439 3.503 20 0 CHADMN N[C@@H](c1cn(CCCC2CCCCC2)nn1)c1ccccc1 ZINC000900629213 1129888534 /nfs/dbraw/zinc/88/85/34/1129888534.db2.gz SMYNKGADKISJKG-GOSISDBHSA-N 0 1 298.434 3.687 20 0 CHADMN COc1ccc(CN(C)Cc2cc(C)oc2C)cc1C ZINC000769232765 1129895935 /nfs/dbraw/zinc/89/59/35/1129895935.db2.gz KYOCQQHUIVOIER-UHFFFAOYSA-N 0 1 273.376 3.845 20 0 CHADMN C[C@@H]1CCCN(Cc2occc2Br)[C@@H]1C ZINC000769224772 1129896826 /nfs/dbraw/zinc/89/68/26/1129896826.db2.gz YIXAHRKLVPPPAB-NXEZZACHSA-N 0 1 272.186 3.663 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccsc2)cnc1Cl ZINC000800888994 1129897280 /nfs/dbraw/zinc/89/72/80/1129897280.db2.gz ISDMUWSZONRGOS-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN C[C@@H](CN(C)Cc1coc(C2CC2)n1)c1ccccc1 ZINC000769318805 1129902554 /nfs/dbraw/zinc/90/25/54/1129902554.db2.gz MWVUWGRRTIHGNL-ZDUSSCGKSA-N 0 1 270.376 3.788 20 0 CHADMN Fc1ccc2c(c1)CN(Cc1cncc3ccccc31)CC2 ZINC000769404656 1129907179 /nfs/dbraw/zinc/90/71/79/1129907179.db2.gz NKYUMZBCQXLREC-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1coc(C2CC2)n1 ZINC000769498786 1129913670 /nfs/dbraw/zinc/91/36/70/1129913670.db2.gz PXPMTWAVBYYZSU-GUYCJALGSA-N 0 1 282.387 3.930 20 0 CHADMN Cc1cc(CN2CCS[C@H]3CCCC[C@@H]32)cnc1Cl ZINC000769497947 1129913762 /nfs/dbraw/zinc/91/37/62/1129913762.db2.gz HWQPVCXZIXLPCQ-KBPBESRZSA-N 0 1 296.867 3.903 20 0 CHADMN CCc1oc2ccccc2c1-c1cc([C@H](C)N)on1 ZINC000901399158 1129921089 /nfs/dbraw/zinc/92/10/89/1129921089.db2.gz BXNDIELQLPNFBW-VIFPVBQESA-N 0 1 256.305 3.670 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1cccc(F)c1 ZINC000769867662 1129926560 /nfs/dbraw/zinc/92/65/60/1129926560.db2.gz MZGFFZJXBUUCMU-SNVBAGLBSA-N 0 1 262.328 3.535 20 0 CHADMN CC[C@H](C[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1)c1ccccc1 ZINC000901465918 1129927629 /nfs/dbraw/zinc/92/76/29/1129927629.db2.gz ZDIAKBBEPAICFX-CRAIPNDOSA-N 0 1 289.419 3.613 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2c(C)onc2CC)cc1 ZINC000769874352 1129930682 /nfs/dbraw/zinc/93/06/82/1129930682.db2.gz JSTJUBYMJLKYPA-GFCCVEGCSA-N 0 1 288.391 3.795 20 0 CHADMN C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000901553844 1129935726 /nfs/dbraw/zinc/93/57/26/1129935726.db2.gz QGHODSSTGRAKDT-OKACTXMXSA-N 0 1 287.403 3.667 20 0 CHADMN CC1=C[C@H](C)C[C@H](C[N@@H+](CC(=O)[O-])Cc2ccccc2)C1 ZINC000901568995 1129937179 /nfs/dbraw/zinc/93/71/79/1129937179.db2.gz HCIZEPMYIXUEBJ-YOEHRIQHSA-N 0 1 287.403 3.566 20 0 CHADMN CCCCCCC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000770265078 1129943239 /nfs/dbraw/zinc/94/32/39/1129943239.db2.gz OCVJFTVBAKYRMJ-UHFFFAOYSA-N 0 1 259.353 3.780 20 0 CHADMN Cc1cc(CN(C)CCOCc2ccccc2)c(C)o1 ZINC000770305102 1129944186 /nfs/dbraw/zinc/94/41/86/1129944186.db2.gz IZJWYAJWEIVYEH-UHFFFAOYSA-N 0 1 273.376 3.545 20 0 CHADMN CCCCC[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000901728438 1129947174 /nfs/dbraw/zinc/94/71/74/1129947174.db2.gz YEUZJCJDJDUFBM-LBPRGKRZSA-N 0 1 298.452 3.564 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000822991135 1131410059 /nfs/dbraw/zinc/41/00/59/1131410059.db2.gz OSPXVWNAHHTHMF-HLTSFMKQSA-N 0 1 290.156 3.843 20 0 CHADMN CCCC(=CC(=O)Nc1cnn(-c2ccncc2)c1)CCC ZINC000770721249 1129955793 /nfs/dbraw/zinc/95/57/93/1129955793.db2.gz WVRWOWXTDOPSEZ-UHFFFAOYSA-N 0 1 298.390 3.732 20 0 CHADMN COCCN(CCSC(C)(C)C)Cc1ccc(C)o1 ZINC000801927614 1129959743 /nfs/dbraw/zinc/95/97/43/1129959743.db2.gz WLIBEIFTNQKIGC-UHFFFAOYSA-N 0 1 285.453 3.568 20 0 CHADMN CCC[C@H](C)c1noc(-c2ccc(O)c(Cl)c2)n1 ZINC000770873677 1129959871 /nfs/dbraw/zinc/95/98/71/1129959871.db2.gz AKCHODJGJGJROK-QMMMGPOBSA-N 0 1 266.728 3.999 20 0 CHADMN CCCCC1CCN(Cc2ccc(F)nc2)CC1 ZINC001137736345 1131410688 /nfs/dbraw/zinc/41/06/88/1131410688.db2.gz KFWIYSULUBSNLI-UHFFFAOYSA-N 0 1 250.361 3.623 20 0 CHADMN CCCC[C@@H](CC)CC[N@H+]1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC000901909878 1129965670 /nfs/dbraw/zinc/96/56/70/1129965670.db2.gz DRRVFQUVARIALR-RHSMWYFYSA-N 0 1 299.430 3.872 20 0 CHADMN CC[C@H]1CCC[C@H](C[N@H+]2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)C1 ZINC000901917866 1129966098 /nfs/dbraw/zinc/96/60/98/1129966098.db2.gz MQANPSKXBABUES-OVWQWFNUSA-N 0 1 293.451 3.780 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000901986982 1129969907 /nfs/dbraw/zinc/96/99/07/1129969907.db2.gz BZAQDGCCNDMSTI-QGTPRVQTSA-N 0 1 299.414 3.663 20 0 CHADMN CC1(C)CCC[C@H](C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])C1 ZINC000901998715 1129970344 /nfs/dbraw/zinc/97/03/44/1129970344.db2.gz XIJZRPOHPCTNNZ-LSDHHAIUSA-N 0 1 281.440 3.922 20 0 CHADMN C[C@@H](C[N@@H+](C[C@@H](C)c1cccc(Cl)c1)C1CC1)C(=O)[O-] ZINC000901995128 1129970768 /nfs/dbraw/zinc/97/07/68/1129970768.db2.gz XRKCNVSHPDNARM-NEPJUHHUSA-N 0 1 295.810 3.629 20 0 CHADMN Cc1cc(C)c(/C=C\C[N@H+]2CCC[C@H]2CC(=O)[O-])c(C)c1 ZINC000902007497 1129971133 /nfs/dbraw/zinc/97/11/33/1129971133.db2.gz KRCNRTXHRIJHOM-WRLNGNIRSA-N 0 1 287.403 3.564 20 0 CHADMN Cc1cc(C)c(/C=C/C[N@H+]2CCC[C@H]2CC(=O)[O-])c(C)c1 ZINC000902007499 1129971230 /nfs/dbraw/zinc/97/12/30/1129971230.db2.gz KRCNRTXHRIJHOM-YERXGYGTSA-N 0 1 287.403 3.564 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)[C@H](C(=O)[O-])C1 ZINC000902018088 1129971667 /nfs/dbraw/zinc/97/16/67/1129971667.db2.gz TXFXLBCXWJASTK-CJNGLKHVSA-N 0 1 299.370 3.632 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)[C@@H](C(=O)[O-])C1 ZINC000902018089 1129971706 /nfs/dbraw/zinc/97/17/06/1129971706.db2.gz TXFXLBCXWJASTK-CZUORRHYSA-N 0 1 299.370 3.632 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000902020617 1129972240 /nfs/dbraw/zinc/97/22/40/1129972240.db2.gz QNSNMGSJNWDTTK-SOLBZPMBSA-N 0 1 289.419 3.611 20 0 CHADMN CCn1cnc(CN[C@@H](CC(C)C)c2ccccc2)c1 ZINC000902034140 1129973322 /nfs/dbraw/zinc/97/33/22/1129973322.db2.gz HIDGOBDIJVVTHI-KRWDZBQOSA-N 0 1 271.408 3.780 20 0 CHADMN C[C@@]1(C[N@H+]2CCCCC[C@H]2C(=O)[O-])C[C@H]1c1ccccc1 ZINC000902035415 1129973444 /nfs/dbraw/zinc/97/34/44/1129973444.db2.gz PDKWZXYSLSGIRL-BQFCYCMXSA-N 0 1 287.403 3.509 20 0 CHADMN CC[C@@H](NCc1ccccc1NC)c1ccccc1OC ZINC000902056705 1129975606 /nfs/dbraw/zinc/97/56/06/1129975606.db2.gz ZSSFNUNFDGTCHS-MRXNPFEDSA-N 0 1 284.403 3.978 20 0 CHADMN CCCC[N@@H+](CC)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902060370 1129976177 /nfs/dbraw/zinc/97/61/77/1129976177.db2.gz OCWKPSRSPKDEDF-UHFFFAOYSA-N 0 1 286.375 3.555 20 0 CHADMN CCN(Cc1ccc(F)nc1)Cc1ccc(C)c(C)c1 ZINC001137742991 1131411645 /nfs/dbraw/zinc/41/16/45/1131411645.db2.gz TWBWAPUYYKXSLW-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1nc2ccccc2s1 ZINC000691502025 1129981623 /nfs/dbraw/zinc/98/16/23/1129981623.db2.gz SFUAHRPHCMHWOW-VHRBIJSZSA-N 0 1 288.416 3.514 20 0 CHADMN CCC[N@@H+](CCC(C)(C)C(=O)[O-])Cc1ccc(F)cc1 ZINC000902130507 1129983432 /nfs/dbraw/zinc/98/34/32/1129983432.db2.gz GIBGLGKMGOKSCJ-UHFFFAOYSA-N 0 1 281.371 3.539 20 0 CHADMN CCn1cnc(CNC2(c3ccc(F)cc3)CCCC2)c1 ZINC000902164519 1129985155 /nfs/dbraw/zinc/98/51/55/1129985155.db2.gz HCXAHFITERYTBC-UHFFFAOYSA-N 0 1 287.382 3.601 20 0 CHADMN CCC[N@@H+](CCC(C)(C)C(=O)[O-])CC1CCCCC1 ZINC000902167106 1129985192 /nfs/dbraw/zinc/98/51/92/1129985192.db2.gz JOSYYNALICSAOP-UHFFFAOYSA-N 0 1 269.429 3.780 20 0 CHADMN CS/C=C/C(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000771600667 1129985739 /nfs/dbraw/zinc/98/57/39/1129985739.db2.gz BNXUPZNAIKXBNI-GJIOHYHPSA-N 0 1 296.779 3.697 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)CC1 ZINC000902192040 1129986809 /nfs/dbraw/zinc/98/68/09/1129986809.db2.gz NKGVFNZIDRMARL-CYBMUJFWSA-N 0 1 298.386 3.555 20 0 CHADMN CC(C)[C@H]1CCCC[C@H]1NCc1nnc(C(C)(C)C)o1 ZINC000771790198 1129989666 /nfs/dbraw/zinc/98/96/66/1129989666.db2.gz ADAOSOUUGUGMDW-CHWSQXEVSA-N 0 1 279.428 3.672 20 0 CHADMN CNc1ccccc1CNCc1ccc(Cl)cc1OC ZINC000902217573 1129990474 /nfs/dbraw/zinc/99/04/74/1129990474.db2.gz KCVISTMWZJVCSM-UHFFFAOYSA-N 0 1 290.794 3.680 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1nc2c(s1)CCC2 ZINC000771817717 1129991111 /nfs/dbraw/zinc/99/11/11/1129991111.db2.gz DBKZNXHMOHIBJT-CQSZACIVSA-N 0 1 284.428 3.717 20 0 CHADMN CNc1ccc(C)cc1CN[C@H](COC)c1ccccc1 ZINC000902244074 1129993433 /nfs/dbraw/zinc/99/34/33/1129993433.db2.gz XQBXVTXVIYWOAR-GOSISDBHSA-N 0 1 284.403 3.514 20 0 CHADMN Cc1cn[nH]c1CS[C@H](C)c1ccccc1F ZINC000902305397 1129998822 /nfs/dbraw/zinc/99/88/22/1129998822.db2.gz ORQZQEBDNODNJE-SNVBAGLBSA-N 0 1 250.342 3.852 20 0 CHADMN Cc1cn[nH]c1CS[C@@H](C)c1cccc(F)c1 ZINC000902307718 1129999109 /nfs/dbraw/zinc/99/91/09/1129999109.db2.gz SJJNFHPHEHCBAD-JTQLQIEISA-N 0 1 250.342 3.852 20 0 CHADMN CNc1ccc(C)cc1CNCc1ccc(C)cc1OC ZINC000902310873 1129999503 /nfs/dbraw/zinc/99/95/03/1129999503.db2.gz GPCOLBJOBCMWOO-UHFFFAOYSA-N 0 1 284.403 3.644 20 0 CHADMN C[C@@H](C[N@@H+](C)CCC(C)(C)C(=O)[O-])C1CCCCC1 ZINC000902326475 1130000012 /nfs/dbraw/zinc/00/00/12/1130000012.db2.gz SVTFCFILACQWIG-ZDUSSCGKSA-N 0 1 269.429 3.636 20 0 CHADMN COc1ccc(-c2cc3[nH]cnc3cc2C)c(OC)c1 ZINC001239621663 1130017677 /nfs/dbraw/zinc/01/76/77/1130017677.db2.gz YTIUNVVZFNSDGQ-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902518573 1130019393 /nfs/dbraw/zinc/01/93/93/1130019393.db2.gz NTPPZAXEWDNTLG-JSGCOSHPSA-N 0 1 298.386 3.553 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@H]1CC1CCCCC1)C(=O)[O-] ZINC000902519873 1130020259 /nfs/dbraw/zinc/02/02/59/1130020259.db2.gz QZXNCSMMSRYTOA-HNNXBMFYSA-N 0 1 281.440 3.922 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000902530461 1130020747 /nfs/dbraw/zinc/02/07/47/1130020747.db2.gz RWDSNEMLQUARBD-OLZOCXBDSA-N 0 1 299.370 3.875 20 0 CHADMN CCC1(CC)CCN(Cc2cccc(Br)n2)C1 ZINC000383722646 1130020762 /nfs/dbraw/zinc/02/07/62/1130020762.db2.gz VQRJAGKYRNDWJD-UHFFFAOYSA-N 0 1 297.240 3.856 20 0 CHADMN CCc1oc(C[N@H+]2CCC[C@@H]2C(C)(C)C)cc1C(=O)[O-] ZINC000902530751 1130020948 /nfs/dbraw/zinc/02/09/48/1130020948.db2.gz BPXUJHZFCULMHW-CQSZACIVSA-N 0 1 279.380 3.551 20 0 CHADMN C[C@H](C1CCCCC1)[N@@H+](C)Cc1csc(C(=O)[O-])c1 ZINC000902546495 1130022479 /nfs/dbraw/zinc/02/24/79/1130022479.db2.gz WAFUGIOIFFOKJU-LLVKDONJSA-N 0 1 281.421 3.847 20 0 CHADMN CC(C)(C)c1nc2nc[nH]c2c(-c2cc(F)cc(F)c2)n1 ZINC001239653813 1130033131 /nfs/dbraw/zinc/03/31/31/1130033131.db2.gz FWSIIEWVGXGXOQ-UHFFFAOYSA-N 0 1 288.301 3.547 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CNc1ccc2c[nH]nc2c1 ZINC000902642051 1130033370 /nfs/dbraw/zinc/03/33/70/1130033370.db2.gz DICHYMKGKZXJDH-UHFFFAOYSA-N 0 1 283.379 3.569 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OC[C@H]1C[C@H]1C ZINC000772646983 1130034218 /nfs/dbraw/zinc/03/42/18/1130034218.db2.gz VXFAKGHZCKLBCO-BXUZGUMPSA-N 0 1 284.359 3.506 20 0 CHADMN CCCn1cc([C@H](C)N[C@H](c2ccccc2)C(C)C)nn1 ZINC000902730397 1130046251 /nfs/dbraw/zinc/04/62/51/1130046251.db2.gz QNQHDFFYNXERBK-YOEHRIQHSA-N 0 1 286.423 3.736 20 0 CHADMN COc1ccc2c(c1)nccc2-c1ccc2nc[nH]c2c1 ZINC001239678768 1130049989 /nfs/dbraw/zinc/04/99/89/1130049989.db2.gz WUERGIHFHQHBOB-UHFFFAOYSA-N 0 1 275.311 3.787 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc2[nH]ccc2c1 ZINC001239695880 1130059385 /nfs/dbraw/zinc/05/93/85/1130059385.db2.gz QNZRHEDGAQQPJO-UHFFFAOYSA-N 0 1 263.300 3.720 20 0 CHADMN Cc1cccc([C@@H](N[C@@H](C)c2cn(C)nn2)C(C)(C)C)c1 ZINC000902832930 1130066670 /nfs/dbraw/zinc/06/66/70/1130066670.db2.gz SATIGCQQNRGXKV-XJKSGUPXSA-N 0 1 286.423 3.562 20 0 CHADMN C[C@@H](NCCC(F)(F)F)c1ccc(C(F)(F)F)cn1 ZINC000902835470 1130067068 /nfs/dbraw/zinc/06/70/68/1130067068.db2.gz HPYGNKBTIOBFAI-SSDOTTSWSA-N 0 1 286.219 3.703 20 0 CHADMN Cc1ccccc1[C@@H](N[C@H](C)c1cn(C)nn1)C(C)(C)C ZINC000902836195 1130067576 /nfs/dbraw/zinc/06/75/76/1130067576.db2.gz VDVISVXLXPSOMP-CZUORRHYSA-N 0 1 286.423 3.562 20 0 CHADMN COc1ccc(F)cc1-c1ccc(CN(C)C)c(F)c1 ZINC001239724308 1130074994 /nfs/dbraw/zinc/07/49/94/1130074994.db2.gz OLCXASLKDKCALO-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN CCOC(=O)c1nc2ccc(-c3ccccc3CC)cc2[nH]1 ZINC001239745633 1130086949 /nfs/dbraw/zinc/08/69/49/1130086949.db2.gz UDZALFDFFWCGNM-UHFFFAOYSA-N 0 1 294.354 3.969 20 0 CHADMN Cc1ccc(-c2nc(C(C)(C)C)nc3nc[nH]c32)c(C)c1 ZINC001239812019 1130119698 /nfs/dbraw/zinc/11/96/98/1130119698.db2.gz ZSLVXVNOCFLADM-UHFFFAOYSA-N 0 1 280.375 3.886 20 0 CHADMN O=C(O[C@H]1CCc2ccccc21)[C@H]1CCCN1C1CCCC1 ZINC000786880893 1130121236 /nfs/dbraw/zinc/12/12/36/1130121236.db2.gz IDAZLNXZRQRDEE-MSOLQXFVSA-N 0 1 299.414 3.624 20 0 CHADMN Cc1cscc1CN[C@H](c1ccccn1)C1CC1 ZINC000903160190 1130121259 /nfs/dbraw/zinc/12/12/59/1130121259.db2.gz USQIUKVRPXRRLJ-HNNXBMFYSA-N 0 1 258.390 3.692 20 0 CHADMN CC[C@H](NCc1nccc2c1CCCC2)c1ccncc1 ZINC000903183097 1130125747 /nfs/dbraw/zinc/12/57/47/1130125747.db2.gz ZZPMACWBJIONLZ-KRWDZBQOSA-N 0 1 281.403 3.596 20 0 CHADMN C[C@@H](NCc1cc(N(C)C)ccn1)c1cc2ccccc2o1 ZINC000903202481 1130129300 /nfs/dbraw/zinc/12/93/00/1130129300.db2.gz CUUUREKZEFDECF-CYBMUJFWSA-N 0 1 295.386 3.745 20 0 CHADMN CC1(C)C[C@H](N[C@H]2c3ccccc3OC[C@H]2F)CCS1 ZINC000903282523 1130145418 /nfs/dbraw/zinc/14/54/18/1130145418.db2.gz LSRHFHWZKXOLOS-KYOSRNDESA-N 0 1 295.423 3.722 20 0 CHADMN O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)C(F)F ZINC000787412347 1130149011 /nfs/dbraw/zinc/14/90/11/1130149011.db2.gz XSZOBCDIXYJCSL-UHFFFAOYSA-N 0 1 293.317 3.814 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)cc1N(C)C)c1cncs1 ZINC000903308682 1130149839 /nfs/dbraw/zinc/14/98/39/1130149839.db2.gz BEBPUIIVEQXRIU-QWRGUYRKSA-N 0 1 293.411 3.760 20 0 CHADMN Cc1cnc(C)c(-c2ccc(CN(C)C)c(F)c2)c1 ZINC001239906327 1130150630 /nfs/dbraw/zinc/15/06/30/1130150630.db2.gz WLSHNWMOVJQLTF-UHFFFAOYSA-N 0 1 258.340 3.566 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H](C)c1cncs1 ZINC000903312879 1130151747 /nfs/dbraw/zinc/15/17/47/1130151747.db2.gz ZTBJEOIYFGTUQP-IUCAKERBSA-N 0 1 268.407 3.625 20 0 CHADMN C[C@H](N[C@H]1CCCc2ccc(O)cc21)c1cncs1 ZINC000903312527 1130151975 /nfs/dbraw/zinc/15/19/75/1130151975.db2.gz WMNWKUDNRIBNAW-HZMBPMFUSA-N 0 1 274.389 3.577 20 0 CHADMN Cn1ccc2cc(-c3nccc4c3ccn4C)ccc21 ZINC001239939230 1130160889 /nfs/dbraw/zinc/16/08/89/1130160889.db2.gz MQPKPIFNWVXXTH-UHFFFAOYSA-N 0 1 261.328 3.732 20 0 CHADMN CC[C@@H](C)c1ccc([C@@H](C)NCc2cn(C)cn2)cc1 ZINC000903351798 1130164721 /nfs/dbraw/zinc/16/47/21/1130164721.db2.gz PBRGEVOARDZXGS-ZIAGYGMSSA-N 0 1 271.408 3.784 20 0 CHADMN CN(C)c1cc(N[C@@H]2CCCc3[nH]ncc32)ccc1Cl ZINC000903355499 1130166450 /nfs/dbraw/zinc/16/64/50/1130166450.db2.gz WUGDTNXQWXZAKM-CYBMUJFWSA-N 0 1 290.798 3.619 20 0 CHADMN C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000903421943 1130174381 /nfs/dbraw/zinc/17/43/81/1130174381.db2.gz XZJNIKLOMOBQAS-GOEBONIOSA-N 0 1 275.392 3.509 20 0 CHADMN CCc1ccc([C@@H](C)NCc2c(C)nc3ccccn32)o1 ZINC000903422930 1130174801 /nfs/dbraw/zinc/17/48/01/1130174801.db2.gz SAKBHRRTIFQNGQ-CYBMUJFWSA-N 0 1 283.375 3.649 20 0 CHADMN C[C@@H](N[C@H](c1ccncc1)C1CC1)c1ccnn1C1CCC1 ZINC000903428639 1130175620 /nfs/dbraw/zinc/17/56/20/1130175620.db2.gz JKJDHCRSDLNDOH-ACJLOTCBSA-N 0 1 296.418 3.805 20 0 CHADMN CCOC(=O)c1cc2ncc(-c3cc(C)ccc3F)cc2[nH]1 ZINC001239965771 1130175905 /nfs/dbraw/zinc/17/59/05/1130175905.db2.gz XWEFWSVYGMDEAL-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN Cc1nc([C@@H](C)NCCCOc2cccc(F)c2)cs1 ZINC000903445828 1130177176 /nfs/dbraw/zinc/17/71/76/1130177176.db2.gz KQNFGIICFBVZCN-LLVKDONJSA-N 0 1 294.395 3.710 20 0 CHADMN Cc1ccncc1-c1cc(F)c(CN2CCCC2)c(F)c1 ZINC001239975729 1130180586 /nfs/dbraw/zinc/18/05/86/1130180586.db2.gz RPIOIAVLKYQVLI-UHFFFAOYSA-N 0 1 288.341 3.931 20 0 CHADMN CCCCNC(=O)c1ccc(-c2cccc3cncn32)cc1 ZINC001239988538 1130183120 /nfs/dbraw/zinc/18/31/20/1130183120.db2.gz UMTAEEJJHDUFJC-UHFFFAOYSA-N 0 1 293.370 3.531 20 0 CHADMN CCC[N@@H+](CCc1cccs1)[C@@H](C(=O)[O-])[C@H](C)CC ZINC000903593987 1130183371 /nfs/dbraw/zinc/18/33/71/1130183371.db2.gz ASIJGPSODFELHL-TZMCWYRMSA-N 0 1 283.437 3.502 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCCC2(CCCCC2)C1 ZINC000903598660 1130183441 /nfs/dbraw/zinc/18/34/41/1130183441.db2.gz WYKDIGABWOIFEU-UONOGXRCSA-N 0 1 267.413 3.532 20 0 CHADMN CCc1ccc2ccccc2c1C[N@@H+](CC)CCC(=O)[O-] ZINC000903595634 1130183451 /nfs/dbraw/zinc/18/34/51/1130183451.db2.gz HEYYGQXHEZVPBW-UHFFFAOYSA-N 0 1 285.387 3.699 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)Cc1csc2ccccc12 ZINC000903596266 1130183686 /nfs/dbraw/zinc/18/36/86/1130183686.db2.gz STKRVONHBLCWNN-ABAIWWIYSA-N 0 1 291.416 3.832 20 0 CHADMN CCC(CC)[N@@H+](Cc1cc(C(=O)[O-])ccc1OC)C1CC1 ZINC000903594295 1130183765 /nfs/dbraw/zinc/18/37/65/1130183765.db2.gz ATFXXTZJULERPL-UHFFFAOYSA-N 0 1 291.391 3.546 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCc2ccc(C(C)C)cc2C1 ZINC000903603444 1130184592 /nfs/dbraw/zinc/18/45/92/1130184592.db2.gz WDGRNEAUSYJCIQ-SUMWQHHRSA-N 0 1 289.419 3.667 20 0 CHADMN CC(C)[C@H](NCc1cnc(Cl)cn1)c1ccccc1 ZINC000788470230 1130188127 /nfs/dbraw/zinc/18/81/27/1130188127.db2.gz OEDLPFOTRPGIHD-HNNXBMFYSA-N 0 1 275.783 3.617 20 0 CHADMN Cc1nc2cc(-c3cnn(Cc4ccccc4)c3)ccc2[nH]1 ZINC001240004229 1130188874 /nfs/dbraw/zinc/18/88/74/1130188874.db2.gz QCPSKIQXXOVPDH-UHFFFAOYSA-N 0 1 288.354 3.783 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cnc(Cl)cn2)c1C ZINC000788490098 1130190323 /nfs/dbraw/zinc/19/03/23/1130190323.db2.gz XMTCFGSNANXVQP-GFCCVEGCSA-N 0 1 275.783 3.598 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@H]2c2cccs2)CCC1 ZINC000903693394 1130190703 /nfs/dbraw/zinc/19/07/03/1130190703.db2.gz KEBSIYVTWFTJHZ-LBPRGKRZSA-N 0 1 279.405 3.530 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC000903697680 1130191319 /nfs/dbraw/zinc/19/13/19/1130191319.db2.gz WZZFRZWFICBOTL-LBPRGKRZSA-N 0 1 295.810 3.978 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2C(C)C)C1 ZINC000903786952 1130197748 /nfs/dbraw/zinc/19/77/48/1130197748.db2.gz RAALZOMUCYHHPI-SFHVURJKSA-N 0 1 289.419 3.887 20 0 CHADMN CSCCCCc1noc([C@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000903786045 1130198180 /nfs/dbraw/zinc/19/81/80/1130198180.db2.gz UVYHHSQCCJBULV-XQQFMLRXSA-N 0 1 297.468 3.689 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1cscn1)[C@@H](O)c1ccccc1 ZINC000788625147 1130198758 /nfs/dbraw/zinc/19/87/58/1130198758.db2.gz ZFOGRGKSQACMJR-MAZHCROVSA-N 0 1 290.432 3.552 20 0 CHADMN CC[C@@H](CSC)N[C@@H]1COCc2cccc(Cl)c21 ZINC000788691273 1130200762 /nfs/dbraw/zinc/20/07/62/1130200762.db2.gz LMQGTUSTRGVZJH-WCQYABFASA-N 0 1 285.840 3.643 20 0 CHADMN Fc1cc2[nH]ccc2c(-c2ccc3nc[nH]c3c2)c1 ZINC001240033190 1130200851 /nfs/dbraw/zinc/20/08/51/1130200851.db2.gz QATJBKDFSVOLHI-UHFFFAOYSA-N 0 1 251.264 3.850 20 0 CHADMN C[C@H](N[C@@H](C)c1c(F)cccc1Cl)c1cc[nH]c(=O)c1 ZINC000788669414 1130202374 /nfs/dbraw/zinc/20/23/74/1130202374.db2.gz ZSZDETDPDFOGJX-UWVGGRQHSA-N 0 1 294.757 3.992 20 0 CHADMN CCN(CC)C(=O)c1cccc(-c2cc3[nH]ccc3cn2)c1 ZINC001240049003 1130204635 /nfs/dbraw/zinc/20/46/35/1130204635.db2.gz ITGRRJQVUIIXBQ-UHFFFAOYSA-N 0 1 293.370 3.712 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903881145 1130207256 /nfs/dbraw/zinc/20/72/56/1130207256.db2.gz FKMQNNBDYYXOJU-AWEZNQCLSA-N 0 1 298.386 3.698 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@H](CCc2ccccc2)C(=O)[O-])CC1 ZINC000903893530 1130208861 /nfs/dbraw/zinc/20/88/61/1130208861.db2.gz FAYZNVRLVNGOBG-NVXWUHKLSA-N 0 1 289.419 3.585 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1cccc(C(=O)NC(C)C)c1 ZINC001240080176 1130209205 /nfs/dbraw/zinc/20/92/05/1130209205.db2.gz BGTBXGPHZGLMOO-UHFFFAOYSA-N 0 1 293.370 3.677 20 0 CHADMN CCc1ncc(CN[C@@H]2c3ccccc3NC2(C)C)s1 ZINC000903949005 1130211008 /nfs/dbraw/zinc/21/10/08/1130211008.db2.gz XZTBSGMBPUBZFR-OAHLLOKOSA-N 0 1 287.432 3.741 20 0 CHADMN C[C@H](C[N@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]1C)c1ccccc1 ZINC000903951295 1130211448 /nfs/dbraw/zinc/21/14/48/1130211448.db2.gz TWNTZGOUFQVSRR-ZAPJKBGESA-N 0 1 289.419 3.610 20 0 CHADMN CC1(C)C[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000903935359 1130211604 /nfs/dbraw/zinc/21/16/04/1130211604.db2.gz XMUIFEYGWPWPMT-CQSZACIVSA-N 0 1 299.370 3.746 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@@H]1c2ccccc2NC1(C)C ZINC000903947728 1130211668 /nfs/dbraw/zinc/21/16/68/1130211668.db2.gz GGPYVLYUCDXMKZ-QGZVFWFLSA-N 0 1 298.434 3.807 20 0 CHADMN CCc1ccc(C[N@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)cc1 ZINC000903951397 1130211723 /nfs/dbraw/zinc/21/17/23/1130211723.db2.gz JGZUXZWVGDRUAN-ZOMKSWQUSA-N 0 1 289.419 3.569 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(Cl)c2)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903947888 1130211747 /nfs/dbraw/zinc/21/17/47/1130211747.db2.gz ANHTVXLGQJPWET-YXMPFFBPSA-N 0 1 295.810 3.660 20 0 CHADMN Cc1ccc(C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)cc1C(=O)[O-] ZINC000903944357 1130212053 /nfs/dbraw/zinc/21/20/53/1130212053.db2.gz KZDOZNUTRMIUAN-GFIVTLFCSA-N 0 1 299.414 3.561 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2Cl)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903952142 1130212789 /nfs/dbraw/zinc/21/27/89/1130212789.db2.gz WLEDLVFADMTXHZ-YXMPFFBPSA-N 0 1 295.810 3.660 20 0 CHADMN CC(C)C[C@H]1CCCN1Cc1cccc(Br)n1 ZINC000396786486 1130216198 /nfs/dbraw/zinc/21/61/98/1130216198.db2.gz RZFUKZLDPFAMKS-CYBMUJFWSA-N 0 1 297.240 3.855 20 0 CHADMN C[N@@H+](Cc1ccc(-c2c3cc[nH]c3ccc2F)nc1)C1CC1 ZINC001240211041 1130230741 /nfs/dbraw/zinc/23/07/41/1130230741.db2.gz WLGTZKBCRKDVAG-UHFFFAOYSA-N 0 1 295.361 3.963 20 0 CHADMN CN(Cc1ccc(-c2c3cc[nH]c3ccc2F)nc1)C1CC1 ZINC001240211041 1130230747 /nfs/dbraw/zinc/23/07/47/1130230747.db2.gz WLGTZKBCRKDVAG-UHFFFAOYSA-N 0 1 295.361 3.963 20 0 CHADMN FC1(c2ccccc2)CCN(C/C=C/Cl)CC1 ZINC000789309259 1130242190 /nfs/dbraw/zinc/24/21/90/1130242190.db2.gz IINXLTAXCXDQRO-RUDMXATFSA-N 0 1 253.748 3.700 20 0 CHADMN CN(C(=O)c1cccc2c[nH]nc21)C1CCCCCCC1 ZINC000748749687 1130244949 /nfs/dbraw/zinc/24/49/49/1130244949.db2.gz MLCPXPBRKXUKNK-UHFFFAOYSA-N 0 1 285.391 3.748 20 0 CHADMN Cc1ccccc1OCCN(C)Cc1ccnc(Cl)c1 ZINC000748806972 1130247767 /nfs/dbraw/zinc/24/77/67/1130247767.db2.gz XGMNRDXZAQJVMM-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN Cc1nc(CN(C)C2CCCCCCC2)oc1C ZINC000748803182 1130248957 /nfs/dbraw/zinc/24/89/57/1130248957.db2.gz SCVBVFRAOUVAFD-UHFFFAOYSA-N 0 1 250.386 3.836 20 0 CHADMN O[C@H](CN1CC[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000748824880 1130249752 /nfs/dbraw/zinc/24/97/52/1130249752.db2.gz POHDNLZXIRKPLQ-DLBZAZTESA-N 0 1 287.790 3.820 20 0 CHADMN Cc1ccc([C@@H](O)CN2CC[C@H]2c2cccc(F)c2)cc1 ZINC000748834887 1130250828 /nfs/dbraw/zinc/25/08/28/1130250828.db2.gz XPCMFCLCBKYWPI-ROUUACIJSA-N 0 1 285.362 3.615 20 0 CHADMN COc1cccc2cc(CN(C)Cc3ccc(C)cn3)oc21 ZINC000789589466 1130261733 /nfs/dbraw/zinc/26/17/33/1130261733.db2.gz LYIAKPHTHVWSEW-UHFFFAOYSA-N 0 1 296.370 3.777 20 0 CHADMN C[C@@H]1c2ccccc2OCCN1C[C@H]1CC1(Cl)Cl ZINC000749060156 1130262062 /nfs/dbraw/zinc/26/20/62/1130262062.db2.gz IWMQYJKZJRQUBU-GHMZBOCLSA-N 0 1 286.202 3.636 20 0 CHADMN Clc1cnc(Cl)c(CN2CC3CCC2CC3)c1 ZINC001139354809 1130265716 /nfs/dbraw/zinc/26/57/16/1130265716.db2.gz BCOYQTUIXQJQAE-UHFFFAOYSA-N 0 1 271.191 3.763 20 0 CHADMN C/C=C(/CC)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000789641938 1130268096 /nfs/dbraw/zinc/26/80/96/1130268096.db2.gz NQVUQDCLQJGBCR-SGRPLGENSA-N 0 1 291.782 3.750 20 0 CHADMN Cc1ccsc1C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000749154200 1130269324 /nfs/dbraw/zinc/26/93/24/1130269324.db2.gz RAEYWMVBYMRHTB-UHFFFAOYSA-N 0 1 292.379 3.510 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Cl)ccc2Cl)[C@@H]1CO ZINC000676766967 1130270913 /nfs/dbraw/zinc/27/09/13/1130270913.db2.gz VWNPHWHWWKPJBV-QMTHXVAHSA-N 0 1 288.218 3.586 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1ccc2ncsc2c1 ZINC001240345753 1130273288 /nfs/dbraw/zinc/27/32/88/1130273288.db2.gz RICIARIINITPDH-UHFFFAOYSA-N 0 1 269.304 3.979 20 0 CHADMN COc1ncc(CN2[C@H](C)CCC[C@H]2C)cc1Cl ZINC000676887076 1130275760 /nfs/dbraw/zinc/27/57/60/1130275760.db2.gz FQNOUAHWPXPICU-GHMZBOCLSA-N 0 1 268.788 3.507 20 0 CHADMN CCCCO[C@@H]1C[C@H](NC/C(Cl)=C\Cl)C1(C)C ZINC001170120262 1130277490 /nfs/dbraw/zinc/27/74/90/1130277490.db2.gz ZXYNAZIIJLHIBA-ALQBXHKQSA-N 0 1 280.239 3.879 20 0 CHADMN Cc1nc2ccc(-c3ccc(-c4cnn(C)c4)cc3)cc2[nH]1 ZINC001240362823 1130278275 /nfs/dbraw/zinc/27/82/75/1130278275.db2.gz ATORYZWONJLUJS-UHFFFAOYSA-N 0 1 288.354 3.939 20 0 CHADMN CC(C)n1cnc2cc(-c3ccc4[nH]nnc4c3)ccc21 ZINC001240370072 1130281637 /nfs/dbraw/zinc/28/16/37/1130281637.db2.gz RSQHDVKJJXQIAG-UHFFFAOYSA-N 0 1 277.331 3.556 20 0 CHADMN CC(C)n1cnc2cc(-c3ccc4nn[nH]c4c3)ccc21 ZINC001240370072 1130281642 /nfs/dbraw/zinc/28/16/42/1130281642.db2.gz RSQHDVKJJXQIAG-UHFFFAOYSA-N 0 1 277.331 3.556 20 0 CHADMN COc1ncc(C2=CCCN(Cc3ccccc3)C2)cc1F ZINC001240386917 1130286760 /nfs/dbraw/zinc/28/67/60/1130286760.db2.gz INDGYNHSRQSLHN-UHFFFAOYSA-N 0 1 298.361 3.519 20 0 CHADMN Cc1cnc(-c2ccc(C(F)(F)F)cc2F)cc1N ZINC001240395687 1130291531 /nfs/dbraw/zinc/29/15/31/1130291531.db2.gz FNTPPSLOXJVRPI-UHFFFAOYSA-N 0 1 270.229 3.797 20 0 CHADMN Cc1cccc2nc(CN3CCC34CCCCC4)cn21 ZINC001137295405 1130308746 /nfs/dbraw/zinc/30/87/46/1130308746.db2.gz PYHRLJYJUSOFIF-UHFFFAOYSA-N 0 1 269.392 3.551 20 0 CHADMN CC(C)(C)OC(=O)c1ccc(-c2cccn3cncc23)cc1 ZINC001240440351 1130313527 /nfs/dbraw/zinc/31/35/27/1130313527.db2.gz JGGYYBOZNFEFSX-UHFFFAOYSA-N 0 1 294.354 3.957 20 0 CHADMN CC(C)(C)OC(=O)c1ccc(-c2cccc3[nH]nnc32)cc1 ZINC001240440636 1130313823 /nfs/dbraw/zinc/31/38/23/1130313823.db2.gz GQTPJJYJRQAVPE-UHFFFAOYSA-N 0 1 295.342 3.580 20 0 CHADMN CC(C)=CCNCc1cnn(Cc2ccccc2)c1Cl ZINC000790589205 1130320714 /nfs/dbraw/zinc/32/07/14/1130320714.db2.gz AIYJFPTWXWSTKQ-UHFFFAOYSA-N 0 1 289.810 3.641 20 0 CHADMN CC(C)c1cccc(NC(=O)CN2CCC3(CC3)CC2)c1 ZINC000677716298 1130322180 /nfs/dbraw/zinc/32/21/80/1130322180.db2.gz DENYNSHQKCUETA-UHFFFAOYSA-N 0 1 286.419 3.625 20 0 CHADMN Cc1cc(C)cc(NC(=O)[C@@H](C)N2CCC3(CC3)CC2)c1 ZINC000677717353 1130323997 /nfs/dbraw/zinc/32/39/97/1130323997.db2.gz IOJLRSMHEILWLI-OAHLLOKOSA-N 0 1 286.419 3.506 20 0 CHADMN Fc1ccc(-c2cc(CN3CC[C@@H](C(F)F)C3)on2)cc1 ZINC000677731139 1130325061 /nfs/dbraw/zinc/32/50/61/1130325061.db2.gz KHHCMPRHWQCZJV-LLVKDONJSA-N 0 1 296.292 3.568 20 0 CHADMN C[C@H](NC1CCC(F)(F)CC1)c1nc(C(C)(C)C)no1 ZINC000677742996 1130328248 /nfs/dbraw/zinc/32/82/48/1130328248.db2.gz XQMVQAYSYXBUCB-VIFPVBQESA-N 0 1 287.354 3.596 20 0 CHADMN Clc1ccc(NCc2[nH]nc3ccccc32)cc1 ZINC000677810515 1130332311 /nfs/dbraw/zinc/33/23/11/1130332311.db2.gz HQIKIGWSRBDDJY-UHFFFAOYSA-N 0 1 257.724 3.828 20 0 CHADMN CCN(Cc1cccc(NC(C)=O)c1)[C@@H](C)c1cccnc1 ZINC000677801818 1130332944 /nfs/dbraw/zinc/33/29/44/1130332944.db2.gz GOVMQQRIZNLFOQ-AWEZNQCLSA-N 0 1 297.402 3.623 20 0 CHADMN Cc1ccccc1[C@@H](C)OC(=O)c1ccc2cncn2c1 ZINC000790850358 1130333083 /nfs/dbraw/zinc/33/30/83/1130333083.db2.gz MYJCMKXFAKPEQX-CYBMUJFWSA-N 0 1 280.327 3.561 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1nc(C(C)C)cs1 ZINC000677850821 1130335568 /nfs/dbraw/zinc/33/55/68/1130335568.db2.gz XJUDHGNWGOSMCG-UHFFFAOYSA-N 0 1 292.408 3.674 20 0 CHADMN FC(F)(F)[C@H]1CCN(Cc2cc3ccccc3[nH]2)C1 ZINC001137319295 1130341689 /nfs/dbraw/zinc/34/16/89/1130341689.db2.gz VGYGUEQLGWMZLV-NSHDSACASA-N 0 1 268.282 3.552 20 0 CHADMN c1coc(-c2ccc(NCc3[nH]nc4ccccc43)cc2)n1 ZINC000678014632 1130341877 /nfs/dbraw/zinc/34/18/77/1130341877.db2.gz AJLKMFSNDVYRBN-UHFFFAOYSA-N 0 1 290.326 3.830 20 0 CHADMN CCn1nc(C)c(CN(C)[C@H](C)c2cccc(F)c2)c1C ZINC000678140996 1130359938 /nfs/dbraw/zinc/35/99/38/1130359938.db2.gz YNFFXLPOTISHGS-CYBMUJFWSA-N 0 1 289.398 3.852 20 0 CHADMN CCN(Cc1cn[nH]c1)Cc1ccc2ccccc2c1 ZINC000678148171 1130360530 /nfs/dbraw/zinc/36/05/30/1130360530.db2.gz WWWXOHQUJPPAIG-UHFFFAOYSA-N 0 1 265.360 3.585 20 0 CHADMN C[C@@H]1c2ccccc2OCCN1Cc1cccs1 ZINC000678196822 1130369133 /nfs/dbraw/zinc/36/91/33/1130369133.db2.gz JGEPOKVAYYNREX-GFCCVEGCSA-N 0 1 259.374 3.704 20 0 CHADMN CCNC(=O)Nc1ccc(-c2cc3nc[nH]c3c(C)c2)cc1 ZINC001240578688 1130370218 /nfs/dbraw/zinc/37/02/18/1130370218.db2.gz VCSMSUVMLVQTLS-UHFFFAOYSA-N 0 1 294.358 3.680 20 0 CHADMN Cc1occc1CN(C)Cc1nccc2ccccc21 ZINC000678210954 1130370410 /nfs/dbraw/zinc/37/04/10/1130370410.db2.gz GNIDMVKALFBXFL-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN CCc1ncc(CN2CCC[C@@H]2c2ccc(O)cc2)s1 ZINC000678213005 1130372413 /nfs/dbraw/zinc/37/24/13/1130372413.db2.gz RTDFFAFFUXYCGZ-OAHLLOKOSA-N 0 1 288.416 3.748 20 0 CHADMN CCN(Cc1ccoc1)Cc1cnc(-c2ccccc2)[nH]1 ZINC000678233550 1130374719 /nfs/dbraw/zinc/37/47/19/1130374719.db2.gz HSLXZGDHKQFKFS-UHFFFAOYSA-N 0 1 281.359 3.692 20 0 CHADMN CCc1noc(CN(C)[C@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000678235732 1130376329 /nfs/dbraw/zinc/37/63/29/1130376329.db2.gz OJHVFKXGEHKPIT-CVEARBPZSA-N 0 1 299.418 3.790 20 0 CHADMN Cn1nc(CN2CCCc3ccccc3C2)c2ccccc21 ZINC000678239742 1130379088 /nfs/dbraw/zinc/37/90/88/1130379088.db2.gz PJDZXAKTHBLIOW-UHFFFAOYSA-N 0 1 291.398 3.522 20 0 CHADMN Cc1cc(C)c(CN2CCCC[C@H]2c2cccnc2)[nH]1 ZINC001137327741 1130379456 /nfs/dbraw/zinc/37/94/56/1130379456.db2.gz DUTZIHXPICVQCK-KRWDZBQOSA-N 0 1 269.392 3.754 20 0 CHADMN C[C@@H]1COCCCN1Cc1c(Cl)oc2ccccc21 ZINC000678274623 1130385957 /nfs/dbraw/zinc/38/59/57/1130385957.db2.gz QXFXIOCQMUHWOF-LLVKDONJSA-N 0 1 279.767 3.697 20 0 CHADMN CCc1ccc([C@H]2CCCCCN2Cc2cn[nH]c2)o1 ZINC000678274075 1130387196 /nfs/dbraw/zinc/38/71/96/1130387196.db2.gz CRWHTZFBWUMDPV-OAHLLOKOSA-N 0 1 273.380 3.682 20 0 CHADMN CN(Cc1cc2ccccc2[nH]1)Cc1cccc(O)c1 ZINC000678279685 1130388396 /nfs/dbraw/zinc/38/83/96/1130388396.db2.gz ZARPIVDJKZOERH-UHFFFAOYSA-N 0 1 266.344 3.506 20 0 CHADMN c1coc([C@@H]2C[N@@H+](CC3CCCCCC3)CCO2)c1 ZINC000678294268 1130392406 /nfs/dbraw/zinc/39/24/06/1130392406.db2.gz CLONCVBUIYRNPU-INIZCTEOSA-N 0 1 263.381 3.623 20 0 CHADMN c1coc([C@@H]2CN(CC3CCCCCC3)CCO2)c1 ZINC000678294268 1130392414 /nfs/dbraw/zinc/39/24/14/1130392414.db2.gz CLONCVBUIYRNPU-INIZCTEOSA-N 0 1 263.381 3.623 20 0 CHADMN CC[C@@H](C[N@H+]1CCO[C@H](c2ccco2)C1)c1ccccc1 ZINC000678294506 1130393299 /nfs/dbraw/zinc/39/32/99/1130393299.db2.gz JYBBGWRWBOXWID-YJBOKZPZSA-N 0 1 285.387 3.847 20 0 CHADMN CC[C@@H](CN1CCO[C@H](c2ccco2)C1)c1ccccc1 ZINC000678294506 1130393305 /nfs/dbraw/zinc/39/33/05/1130393305.db2.gz JYBBGWRWBOXWID-YJBOKZPZSA-N 0 1 285.387 3.847 20 0 CHADMN Cc1cccc(CN(C)Cc2nccc3ccccc32)n1 ZINC000678314566 1130398372 /nfs/dbraw/zinc/39/83/72/1130398372.db2.gz JLFVAGBBWFIPMQ-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN C[N@@H+](Cc1c[nH]c2ccc(F)cc12)Cc1cccc(O)c1 ZINC001137333907 1130400801 /nfs/dbraw/zinc/40/08/01/1130400801.db2.gz YLEFNDATAYUGBY-UHFFFAOYSA-N 0 1 284.334 3.645 20 0 CHADMN CC(C)(C)C1=CCN(Cc2n[nH]c3ccccc32)CC1 ZINC000678342350 1130401973 /nfs/dbraw/zinc/40/19/73/1130401973.db2.gz PPBDXZGRQHMATE-UHFFFAOYSA-N 0 1 269.392 3.741 20 0 CHADMN C[C@H]1CN(Cc2ccccc2NCC(C)(C)C)C[C@H](C)O1 ZINC000678344614 1130402784 /nfs/dbraw/zinc/40/27/84/1130402784.db2.gz QQJJUDIZDBVWOH-GJZGRUSLSA-N 0 1 290.451 3.754 20 0 CHADMN Cc1cc(C(=O)Nc2c(C)n[nH]c2C(F)F)c(C)s1 ZINC000678346482 1130406577 /nfs/dbraw/zinc/40/65/77/1130406577.db2.gz HUVOEKRZHMTMFN-UHFFFAOYSA-N 0 1 285.319 3.586 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2cccnc2)c(C)n1 ZINC000678412672 1130411628 /nfs/dbraw/zinc/41/16/28/1130411628.db2.gz YZBVOCUMGRGKKU-TZMCWYRMSA-N 0 1 255.365 3.505 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2cccnc2)c(C)n1 ZINC000678412670 1130411669 /nfs/dbraw/zinc/41/16/69/1130411669.db2.gz YZBVOCUMGRGKKU-JSGCOSHPSA-N 0 1 255.365 3.505 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccccn2)c(C)n1 ZINC000678411534 1130412435 /nfs/dbraw/zinc/41/24/35/1130412435.db2.gz FGDYTQOKGBAQRJ-KBPBESRZSA-N 0 1 255.365 3.505 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](C)c2cnccc2C)s1 ZINC000678429150 1130416272 /nfs/dbraw/zinc/41/62/72/1130416272.db2.gz WJRJCAFRAONAGG-QWRGUYRKSA-N 0 1 261.394 3.567 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](C)c2cnccc2C)s1 ZINC000678429153 1130416563 /nfs/dbraw/zinc/41/65/63/1130416563.db2.gz WJRJCAFRAONAGG-WDEREUQCSA-N 0 1 261.394 3.567 20 0 CHADMN Cc1nc2c[nH]cc(-c3cccc(C(F)F)c3)c-2n1 ZINC001240693030 1130420849 /nfs/dbraw/zinc/42/08/49/1130420849.db2.gz WXTHPZHPMGSJKY-UHFFFAOYSA-N 0 1 259.259 3.871 20 0 CHADMN Cc1nc2c(cncc2-c2cccc(C(F)F)c2)[nH]1 ZINC001240693030 1130420854 /nfs/dbraw/zinc/42/08/54/1130420854.db2.gz WXTHPZHPMGSJKY-UHFFFAOYSA-N 0 1 259.259 3.871 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1ccc(N)c(Cl)c1 ZINC001243373646 1130422164 /nfs/dbraw/zinc/42/21/64/1130422164.db2.gz ILWDMCIUKNOVCU-UHFFFAOYSA-N 0 1 257.724 3.774 20 0 CHADMN C[N@@H+]1CCCC[C@@H]1c1ccc(-c2cc(F)ccc2[O-])nc1 ZINC001240696852 1130423356 /nfs/dbraw/zinc/42/33/56/1130423356.db2.gz YXIVLPWIRZHSSN-MRXNPFEDSA-N 0 1 286.350 3.750 20 0 CHADMN C[N@H+]1CCCC[C@@H]1c1ccc(-c2cc(F)ccc2[O-])nc1 ZINC001240696852 1130423357 /nfs/dbraw/zinc/42/33/57/1130423357.db2.gz YXIVLPWIRZHSSN-MRXNPFEDSA-N 0 1 286.350 3.750 20 0 CHADMN CCC[C@H](N[C@H](C)c1cnccc1C)c1ccccn1 ZINC000678544156 1130426597 /nfs/dbraw/zinc/42/65/97/1130426597.db2.gz MEJSLCHFGSSIHS-PBHICJAKSA-N 0 1 269.392 3.977 20 0 CHADMN COc1ccc(C)cc1CN[C@@H](C)c1ccccc1N(C)C ZINC000678581049 1130430665 /nfs/dbraw/zinc/43/06/65/1130430665.db2.gz NFYFOBVOBMWQPE-HNNXBMFYSA-N 0 1 298.430 3.920 20 0 CHADMN c1cc2c(cccc2-c2cc(N3CCCC3)ccn2)[nH]1 ZINC001240709737 1130430783 /nfs/dbraw/zinc/43/07/83/1130430783.db2.gz ZAWNCXGIVCVIAU-UHFFFAOYSA-N 0 1 263.344 3.830 20 0 CHADMN S=c1nc2[nH]cnc(-c3cccc4[nH]ccc43)c-2s1 ZINC001240710077 1130430972 /nfs/dbraw/zinc/43/09/72/1130430972.db2.gz LWLTYWBVMXNMCW-UHFFFAOYSA-N 0 1 284.369 3.523 20 0 CHADMN COc1c(F)ccc(F)c1-c1cccc2nc[nH]c21 ZINC001240722267 1130438311 /nfs/dbraw/zinc/43/83/11/1130438311.db2.gz YUHFWKOGWGKGGZ-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN Cc1ccnc(CN2CC=C(c3ccc(Cl)nc3)CC2)c1 ZINC000792266964 1130441904 /nfs/dbraw/zinc/44/19/04/1130441904.db2.gz DZMPWWSBIOAUQZ-UHFFFAOYSA-N 0 1 299.805 3.728 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](c2cccnc2)C2CC2)s1 ZINC000678609419 1130441929 /nfs/dbraw/zinc/44/19/29/1130441929.db2.gz RYPUUPVSRLTRET-BMIGLBTASA-N 0 1 273.405 3.648 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](c2cccnc2)C2CC2)s1 ZINC000678609426 1130442310 /nfs/dbraw/zinc/44/23/10/1130442310.db2.gz RYPUUPVSRLTRET-ZUZCIYMTSA-N 0 1 273.405 3.648 20 0 CHADMN Cc1ncccc1-c1cc(F)c(CN2CCCC2)c(F)c1 ZINC001240729573 1130442714 /nfs/dbraw/zinc/44/27/14/1130442714.db2.gz YUEWPGOYFBUPJY-UHFFFAOYSA-N 0 1 288.341 3.931 20 0 CHADMN Clc1ccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000678639176 1130443278 /nfs/dbraw/zinc/44/32/78/1130443278.db2.gz NTMLDDPRFUHOQP-HZPDHXFCSA-N 0 1 293.838 3.979 20 0 CHADMN COc1ccccc1[C@@H](NCc1cc(C)n[nH]1)C1CCCC1 ZINC000678689753 1130446048 /nfs/dbraw/zinc/44/60/48/1130446048.db2.gz KYSWVNOGQFJBIY-SFHVURJKSA-N 0 1 299.418 3.748 20 0 CHADMN CCc1cc(CN[C@@H]2c3ccccc3CC[C@@H]2C)on1 ZINC000678769536 1130451756 /nfs/dbraw/zinc/45/17/56/1130451756.db2.gz GTKYEBBAOFEBDP-SJCJKPOMSA-N 0 1 270.376 3.650 20 0 CHADMN COc1ccccc1[C@@H](C)[N@@H+](C)Cc1[nH]nc2ccccc21 ZINC001137349769 1130452398 /nfs/dbraw/zinc/45/23/98/1130452398.db2.gz JXGAYRIZKDRBBC-CYBMUJFWSA-N 0 1 295.386 3.765 20 0 CHADMN CCN(Cc1[nH]nc2ccccc21)Cc1ccccc1F ZINC001137349858 1130453784 /nfs/dbraw/zinc/45/37/84/1130453784.db2.gz PUHIHYFUFUOWLA-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cc(F)cc2cccnc21 ZINC000678804463 1130456471 /nfs/dbraw/zinc/45/64/71/1130456471.db2.gz OIVHVXCVOJTABF-SNVBAGLBSA-N 0 1 299.349 3.830 20 0 CHADMN CCc1nn(C)cc1CN(Cc1ccc(C)c(C)c1)C1CC1 ZINC000678832472 1130462771 /nfs/dbraw/zinc/46/27/71/1130462771.db2.gz FOHWOFRUZYSCMJ-UHFFFAOYSA-N 0 1 297.446 3.764 20 0 CHADMN CC[C@H]1C[C@H](N(CC(=O)c2ccccc2)C(C)C)CCO1 ZINC001170235231 1130464733 /nfs/dbraw/zinc/46/47/33/1130464733.db2.gz LCKZCHIAJBDGCW-SJORKVTESA-N 0 1 289.419 3.537 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc2c(c1)CCCO2 ZINC001240773884 1130466017 /nfs/dbraw/zinc/46/60/17/1130466017.db2.gz ZMGLMUUSQHJLGE-UHFFFAOYSA-N 0 1 280.327 3.564 20 0 CHADMN Cc1ccccc1-c1nc(CNC(C(C)C)C(C)C)no1 ZINC000678901199 1130469487 /nfs/dbraw/zinc/46/94/87/1130469487.db2.gz IVTYSJMIRHVPHO-UHFFFAOYSA-N 0 1 287.407 3.815 20 0 CHADMN CCCCc1noc(CN[C@H](CC)C2CCCCC2)n1 ZINC000678897018 1130469623 /nfs/dbraw/zinc/46/96/23/1130469623.db2.gz RCBIJUSKZDMQFU-CQSZACIVSA-N 0 1 279.428 3.861 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1cncc(C(F)(F)F)c1 ZINC001240792375 1130474764 /nfs/dbraw/zinc/47/47/64/1130474764.db2.gz SCQXBEVXXLWGLF-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1ccc2cc[nH]c2c1 ZINC001240798146 1130477476 /nfs/dbraw/zinc/47/74/76/1130477476.db2.gz STFZDNNUTKJGRN-UHFFFAOYSA-N 0 1 251.264 3.850 20 0 CHADMN CC(C)Oc1ccc(-c2cccc(CN(C)C)c2F)cn1 ZINC001240810341 1130482881 /nfs/dbraw/zinc/48/28/81/1130482881.db2.gz SLIJALDAHNBGOD-UHFFFAOYSA-N 0 1 288.366 3.737 20 0 CHADMN C[C@@H](NC1(c2ccc(F)cc2)CCC1)c1ccccn1 ZINC000679013040 1130483744 /nfs/dbraw/zinc/48/37/44/1130483744.db2.gz AMGDQPHNNGDQAZ-CYBMUJFWSA-N 0 1 270.351 3.951 20 0 CHADMN CN1CCN(c2ccc(-c3ccc(CF)cc3)cc2)CC1 ZINC001240851413 1130493527 /nfs/dbraw/zinc/49/35/27/1130493527.db2.gz DXKLXNARQHEBQP-UHFFFAOYSA-N 0 1 284.378 3.575 20 0 CHADMN Cc1nc([C@H](C)Nc2cnn(-c3ccncc3)c2)c(C)s1 ZINC000679115527 1130494717 /nfs/dbraw/zinc/49/47/17/1130494717.db2.gz QMGQJMLUKUCYQG-JTQLQIEISA-N 0 1 299.403 3.514 20 0 CHADMN CC[C@H](Nc1cnn(-c2ccncc2)c1)c1ccccc1 ZINC000679126603 1130495737 /nfs/dbraw/zinc/49/57/37/1130495737.db2.gz XLUIZDDITCDLQH-KRWDZBQOSA-N 0 1 278.359 3.831 20 0 CHADMN Fc1ccc2c(c1)[C@@H](Nc1cnn(-c3ccncc3)c1)CC2 ZINC000679128101 1130495932 /nfs/dbraw/zinc/49/59/32/1130495932.db2.gz RZMRXJVZHZHQCN-KRWDZBQOSA-N 0 1 294.333 3.506 20 0 CHADMN CCC[C@H](C)[C@H](CC)Nc1cnn(-c2ccncc2)c1 ZINC000679128573 1130496605 /nfs/dbraw/zinc/49/66/05/1130496605.db2.gz WMAOCORQXWQGHN-BBRMVZONSA-N 0 1 272.396 3.894 20 0 CHADMN C[C@H]1CCN(c2ccnc3cc(F)ccc32)C[C@@H]1F ZINC000679192083 1130501162 /nfs/dbraw/zinc/50/11/62/1130501162.db2.gz KBLIBRNOBFFIJM-GWCFXTLKSA-N 0 1 262.303 3.558 20 0 CHADMN C[C@H]1CCN(c2ccnc3cc(F)ccc32)C[C@H]1F ZINC000679192084 1130501535 /nfs/dbraw/zinc/50/15/35/1130501535.db2.gz KBLIBRNOBFFIJM-GXFFZTMASA-N 0 1 262.303 3.558 20 0 CHADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1CCCCCF ZINC000792866922 1130501712 /nfs/dbraw/zinc/50/17/12/1130501712.db2.gz LXXIHPBOEYZHAA-BFYDXBDKSA-N 0 1 279.399 3.977 20 0 CHADMN NCc1ncc(-c2cccc3c4ccccc4oc32)cn1 ZINC001240890842 1130504598 /nfs/dbraw/zinc/50/45/98/1130504598.db2.gz RVRAKVRBFZQFPD-UHFFFAOYSA-N 0 1 275.311 3.502 20 0 CHADMN Cc1nonc1CN(CC(C)C)[C@H](C)c1ccccc1C ZINC000792926750 1130508038 /nfs/dbraw/zinc/50/80/38/1130508038.db2.gz NZPMDUIBZNMVOY-OAHLLOKOSA-N 0 1 287.407 3.906 20 0 CHADMN CC(C)[C@@H]1N(C[C@@H](O)c2c(F)cccc2F)CC12CCC2 ZINC000793005884 1130511698 /nfs/dbraw/zinc/51/16/98/1130511698.db2.gz ZWKVGMONPLNRMF-ZBFHGGJFSA-N 0 1 295.373 3.509 20 0 CHADMN Cc1ccccc1[C@H](O)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000792999741 1130511992 /nfs/dbraw/zinc/51/19/92/1130511992.db2.gz NTEDPSCICKIFCW-MSOLQXFVSA-N 0 1 296.414 3.507 20 0 CHADMN c1nc(-c2ccccc2)sc1CN1CC=CCC1 ZINC000679323527 1130514080 /nfs/dbraw/zinc/51/40/80/1130514080.db2.gz ZNSUDLHPARRRHG-UHFFFAOYSA-N 0 1 256.374 3.572 20 0 CHADMN CCN(CCC(F)(F)F)Cc1cc(F)ccc1C ZINC000679330859 1130516105 /nfs/dbraw/zinc/51/61/05/1130516105.db2.gz VCPHMUVAIHYSFY-UHFFFAOYSA-N 0 1 263.278 3.908 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1ccc(OC2CCCC2)cc1 ZINC000679350885 1130519083 /nfs/dbraw/zinc/51/90/83/1130519083.db2.gz DWWUFDVDKKZYDF-ZDUSSCGKSA-N 0 1 299.418 3.890 20 0 CHADMN CC[C@H](N[C@@H](CCc1ccccc1)C(F)F)[C@@H]1CCOC1 ZINC000679386837 1130524533 /nfs/dbraw/zinc/52/45/33/1130524533.db2.gz PBCHJINIZPPHKN-PMPSAXMXSA-N 0 1 297.389 3.658 20 0 CHADMN Cc1occc1CN[C@@H](c1ccc(F)cn1)C(C)C ZINC000679386703 1130525237 /nfs/dbraw/zinc/52/52/37/1130525237.db2.gz QGVKUJPINAJDEG-OAHLLOKOSA-N 0 1 262.328 3.609 20 0 CHADMN Oc1ccc(CN2CCSC[C@H]2c2ccccc2)cc1 ZINC000679396080 1130527062 /nfs/dbraw/zinc/52/70/62/1130527062.db2.gz OYPPWDPLJNERPC-KRWDZBQOSA-N 0 1 285.412 3.682 20 0 CHADMN CC(C)OC(=O)c1cccc(-c2cc3nc[nH]c3cc2F)c1 ZINC001240948241 1130529752 /nfs/dbraw/zinc/52/97/52/1130529752.db2.gz UTEXZJDQKZRICW-UHFFFAOYSA-N 0 1 298.317 3.934 20 0 CHADMN CC(C)OC(=O)c1cccc(-c2cccc3nc[nH]c32)c1 ZINC001240947908 1130529926 /nfs/dbraw/zinc/52/99/26/1130529926.db2.gz LSWFBLREOBDCIL-UHFFFAOYSA-N 0 1 280.327 3.795 20 0 CHADMN COc1cc(F)c(-c2ccc3nc[nH]c3c2C)cc1F ZINC001240958241 1130536540 /nfs/dbraw/zinc/53/65/40/1130536540.db2.gz FFALNICXKAVCOA-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN Cc1ncsc1CN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679584609 1130544530 /nfs/dbraw/zinc/54/45/30/1130544530.db2.gz VMSCOTFCYNNOAF-PSASIEDQSA-N 0 1 278.343 3.614 20 0 CHADMN CC1(C)Cc2cc(CN3CCC(F)(F)CC3)ccc2O1 ZINC000793361907 1130544484 /nfs/dbraw/zinc/54/44/84/1130544484.db2.gz MGTMGGQKZMFZIB-UHFFFAOYSA-N 0 1 281.346 3.631 20 0 CHADMN Cc1ccc(Br)c(CN2CCC(F)CC2)c1 ZINC001137380527 1130547403 /nfs/dbraw/zinc/54/74/03/1130547403.db2.gz PJRXGSYGAQDLPW-UHFFFAOYSA-N 0 1 286.188 3.691 20 0 CHADMN CCOc1ccc([C@H](NC2CSC2)c2ccccc2)cc1 ZINC000679626973 1130547453 /nfs/dbraw/zinc/54/74/53/1130547453.db2.gz CFMNSQQRRFMHOY-GOSISDBHSA-N 0 1 299.439 3.880 20 0 CHADMN Clc1cnc(NC[C@@H](c2ccco2)N2CCCC2)s1 ZINC000679632359 1130549073 /nfs/dbraw/zinc/54/90/73/1130549073.db2.gz GKFOLBMOPCVXJK-JTQLQIEISA-N 0 1 297.811 3.639 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N1CCC[C@H](OC(F)F)C1 ZINC000679685620 1130550534 /nfs/dbraw/zinc/55/05/34/1130550534.db2.gz ZXJJGCFIECPDQH-UONOGXRCSA-N 0 1 287.325 3.980 20 0 CHADMN Fc1ccc(/C=C/CN2CCC[C@@H](OC(F)F)C2)cc1 ZINC000679741198 1130553637 /nfs/dbraw/zinc/55/36/37/1130553637.db2.gz WUUZVSHTYMDUAV-XYHHVPKHSA-N 0 1 285.309 3.543 20 0 CHADMN CCCCCN[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000679846459 1130559795 /nfs/dbraw/zinc/55/97/95/1130559795.db2.gz BFHTYRUTJPOUBS-OAHLLOKOSA-N 0 1 291.826 3.943 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCc3c2cccc3Cl)n(C)n1 ZINC000793526181 1130563071 /nfs/dbraw/zinc/56/30/71/1130563071.db2.gz KOTFKULYMIAFRQ-IAQYHMDHSA-N 0 1 289.810 3.720 20 0 CHADMN COc1cccc(F)c1-c1ccc2nc[nH]c2c1C ZINC001241010842 1130564242 /nfs/dbraw/zinc/56/42/42/1130564242.db2.gz JWKQNXNAHOWHJV-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc3[nH]c(C)c(C)c3c2)n(C)n1 ZINC000793528914 1130564909 /nfs/dbraw/zinc/56/49/09/1130564909.db2.gz RKCJDLCMMAAUHZ-CQSZACIVSA-N 0 1 296.418 3.677 20 0 CHADMN Cc1cc([C@H](C)NC2(c3cccc(Cl)c3)CC2)n(C)n1 ZINC000793545421 1130567901 /nfs/dbraw/zinc/56/79/01/1130567901.db2.gz CZLQYGPKVXGOSW-LBPRGKRZSA-N 0 1 289.810 3.722 20 0 CHADMN O=C1CCN(Cc2c[nH]c3ccccc23)[C@H]2CCCC[C@H]12 ZINC001204041775 1130596021 /nfs/dbraw/zinc/59/60/21/1130596021.db2.gz ZCWQYXBBBLOLAM-RDJZCZTQSA-N 0 1 282.387 3.502 20 0 CHADMN Cc1cc(O[C@@H]2CN3CCC2CC3)c(Cl)cc1Cl ZINC001234059989 1130603985 /nfs/dbraw/zinc/60/39/85/1130603985.db2.gz WGAMWXQKQMDJNH-CQSZACIVSA-N 0 1 286.202 3.775 20 0 CHADMN CCN(CCc1cccs1)Cn1cc(C)cnc1=S ZINC000758305677 1130605195 /nfs/dbraw/zinc/60/51/95/1130605195.db2.gz AHAJNWYOIFIFOC-UHFFFAOYSA-N 0 1 293.461 3.505 20 0 CHADMN CCN(Cc1ccnc(Cl)c1Cl)C1CCC1 ZINC000811466617 1130611619 /nfs/dbraw/zinc/61/16/19/1130611619.db2.gz UOPFXMHLJAKLDC-UHFFFAOYSA-N 0 1 259.180 3.763 20 0 CHADMN Cc1cccc2nc(-c3cnc(Cl)c(C)c3)[nH]c21 ZINC000758452920 1130611920 /nfs/dbraw/zinc/61/19/20/1130611920.db2.gz DRZQLNUOJVOGDJ-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN Cc1ccc2c(c1)/C(=C/c1ccc(O)c(Cl)c1)C(=O)N2C ZINC000811700205 1130640411 /nfs/dbraw/zinc/64/04/11/1130640411.db2.gz IHVREAWMYJWAOF-JYRVWZFOSA-N 0 1 299.757 3.871 20 0 CHADMN C[C@H]1CN(Cc2ccc(Br)s2)C2(CC2)C1 ZINC001137647187 1130650596 /nfs/dbraw/zinc/65/05/96/1130650596.db2.gz IMDJJACHGRAKQR-SECBINFHSA-N 0 1 286.238 3.885 20 0 CHADMN CC(C)(C)C1=CCN(C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000759267351 1130648117 /nfs/dbraw/zinc/64/81/17/1130648117.db2.gz FNQNIRVDLZJHNH-MRXNPFEDSA-N 0 1 295.373 3.676 20 0 CHADMN COc1cc(C)c(CN2CCC2)cc1OCc1ccccc1 ZINC001234487636 1130649610 /nfs/dbraw/zinc/64/96/10/1130649610.db2.gz WJGPEZCTSPZWBS-UHFFFAOYSA-N 0 1 297.398 3.788 20 0 CHADMN CCCCCC[C@H](O)CNC(C)(C)c1ncc(C)s1 ZINC000759436089 1130658467 /nfs/dbraw/zinc/65/84/67/1130658467.db2.gz LDTKYINQJDAIGI-ZDUSSCGKSA-N 0 1 284.469 3.608 20 0 CHADMN CCc1nnc(CN[C@@H](C)CC2CCCCC2)s1 ZINC000689753248 1130662719 /nfs/dbraw/zinc/66/27/19/1130662719.db2.gz JXNQRWZKEJSDPB-NSHDSACASA-N 0 1 267.442 3.549 20 0 CHADMN O=C(/C=C\c1cccc(F)c1)Nc1cccc(Cl)c1O ZINC000759711879 1130671550 /nfs/dbraw/zinc/67/15/50/1130671550.db2.gz SOFVREGSGHCYPA-FPLPWBNLSA-N 0 1 291.709 3.837 20 0 CHADMN O=C(/C=C\c1ccsc1)Nc1cccc(Cl)c1O ZINC000759711473 1130671573 /nfs/dbraw/zinc/67/15/73/1130671573.db2.gz RWNZXEQXLKCNJT-PLNGDYQASA-N 0 1 279.748 3.759 20 0 CHADMN C[C@H](C(=O)Nc1nc2ccc(Cl)cc2[nH]1)C1CCC1 ZINC001133190491 1130671584 /nfs/dbraw/zinc/67/15/84/1130671584.db2.gz POYBIYOOFRCBHC-QMMMGPOBSA-N 0 1 277.755 3.591 20 0 CHADMN CCCCCN(CCCOC)C/C(Cl)=C/Cl ZINC000780378819 1130678981 /nfs/dbraw/zinc/67/89/81/1130678981.db2.gz HPDCQRWYSNYRQA-BENRWUELSA-N 0 1 268.228 3.834 20 0 CHADMN Cc1cc(CNc2cc3c(cn2)CCCC3)cc(Cl)n1 ZINC000812345495 1130686961 /nfs/dbraw/zinc/68/69/61/1130686961.db2.gz BADXXCWFWOLMQI-UHFFFAOYSA-N 0 1 287.794 3.929 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@H](C)c1ccc(F)cn1)CCC2 ZINC000780745504 1130690115 /nfs/dbraw/zinc/69/01/15/1130690115.db2.gz JPIPCHWRSWFEDW-NOZJJQNGSA-N 0 1 291.395 3.714 20 0 CHADMN Cc1cc(C)c(-c2ccc(C3(C(=O)[O-])CC3)cc2)c(C)[nH+]1 ZINC001235027975 1130703758 /nfs/dbraw/zinc/70/37/58/1130703758.db2.gz GZQCJCJPKBUVAF-UHFFFAOYSA-N 0 1 281.355 3.790 20 0 CHADMN FC[C@H]1CCCN1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235047697 1130707004 /nfs/dbraw/zinc/70/70/04/1130707004.db2.gz MZBPVLLEIVGDBT-CYBMUJFWSA-N 0 1 276.330 3.755 20 0 CHADMN Cc1ncc2c(n1)CCC[C@H]2N[C@@H]1CCc2c1cccc2F ZINC000747815067 1130713995 /nfs/dbraw/zinc/71/39/95/1130713995.db2.gz ARJNERQYNKNJEZ-QZTJIDSGSA-N 0 1 297.377 3.579 20 0 CHADMN C[C@@H](C(=O)NOC1CCC1)c1c(Cl)cccc1Cl ZINC000812790624 1130714297 /nfs/dbraw/zinc/71/42/97/1130714297.db2.gz BAZYSHYSGAHLCT-MRVPVSSYSA-N 0 1 288.174 3.697 20 0 CHADMN C[C@H](C(=O)NOC1CCC1)c1c(Cl)cccc1Cl ZINC000812790625 1130714338 /nfs/dbraw/zinc/71/43/38/1130714338.db2.gz BAZYSHYSGAHLCT-QMMMGPOBSA-N 0 1 288.174 3.697 20 0 CHADMN Cc1cc(F)c(CN2CC[C@H]3CCC[C@@H]3C2)c(F)c1 ZINC001235190846 1130720749 /nfs/dbraw/zinc/72/07/49/1130720749.db2.gz SQVIDRSCUMECHY-CHWSQXEVSA-N 0 1 265.347 3.895 20 0 CHADMN Cc1cc(F)c(CN2CCC3(CC3)CC2)c(F)c1 ZINC001235191343 1130722295 /nfs/dbraw/zinc/72/22/95/1130722295.db2.gz WVWCQYIZHUVBDK-UHFFFAOYSA-N 0 1 251.320 3.649 20 0 CHADMN CCc1cc(CNC(=O)Nc2cccc(C3CCC3)c2)n[nH]1 ZINC000812995551 1130729797 /nfs/dbraw/zinc/72/97/97/1130729797.db2.gz YYSVZLMKOCQEJP-UHFFFAOYSA-N 0 1 298.390 3.561 20 0 CHADMN CCc1cccc(CN2CCC(Oc3ccccc3)CC2)n1 ZINC001235256162 1130730012 /nfs/dbraw/zinc/73/00/12/1130730012.db2.gz XTUNWUHVTIEWKA-UHFFFAOYSA-N 0 1 296.414 3.687 20 0 CHADMN CCOC(=O)C[C@H]1CC[C@H](Nc2nc(C)ccc2C)CC1 ZINC001170695693 1130731256 /nfs/dbraw/zinc/73/12/56/1130731256.db2.gz QNEVPADKKSPSEZ-SHTZXODSSA-N 0 1 290.407 3.622 20 0 CHADMN Cc1cncc(Br)c1CN1CCC(C)(C)CC1 ZINC001235646686 1130763124 /nfs/dbraw/zinc/76/31/24/1130763124.db2.gz INZWFQSUJDQPDQ-UHFFFAOYSA-N 0 1 297.240 3.775 20 0 CHADMN COc1cc(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)cc(F)c1F ZINC001235435418 1130743904 /nfs/dbraw/zinc/74/39/04/1130743904.db2.gz VXHXSRMHRBTXFN-VXGBXAGGSA-N 0 1 283.362 3.841 20 0 CHADMN C[C@]1(F)CCCCN(Cc2c[nH]c3cnc(Cl)cc23)C1 ZINC001235508102 1130751273 /nfs/dbraw/zinc/75/12/73/1130751273.db2.gz OVLHEXCPIWGMHD-HNNXBMFYSA-N 0 1 295.789 3.930 20 0 CHADMN Cc1ccnc(CN2CCC[C@H](C)[C@@H]2C)c1Cl ZINC001235580618 1130755221 /nfs/dbraw/zinc/75/52/21/1130755221.db2.gz NRGGWXBCFSVINY-JQWIXIFHSA-N 0 1 252.789 3.664 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2ccccc21)c1cn2c(n1)CCCC2 ZINC000813323918 1130759489 /nfs/dbraw/zinc/75/94/89/1130759489.db2.gz WXLOPEFTDKVSNC-RHSMWYFYSA-N 0 1 295.430 3.948 20 0 CHADMN O=C(C1CCN([C@@H]2CCc3ccccc32)CC1)C(F)(F)F ZINC000782194675 1130761073 /nfs/dbraw/zinc/76/10/73/1130761073.db2.gz SPYPMMBZCNATHQ-CQSZACIVSA-N 0 1 297.320 3.517 20 0 CHADMN C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccc(O)c(F)c2)C1 ZINC000813336935 1130761691 /nfs/dbraw/zinc/76/16/91/1130761691.db2.gz LCSQRQUSOSUSGI-MLGOLLRUSA-N 0 1 286.350 3.509 20 0 CHADMN CCOc1cc(C)cc(F)c1-c1cccn2cncc12 ZINC001245013040 1130762118 /nfs/dbraw/zinc/76/21/18/1130762118.db2.gz NRPZDBRWAHYTET-UHFFFAOYSA-N 0 1 270.307 3.848 20 0 CHADMN Nc1cccc(CN2CCC[C@H]2c2cc(F)ccc2F)c1 ZINC001235713832 1130771634 /nfs/dbraw/zinc/77/16/34/1130771634.db2.gz HJWMKOGPXBYVNY-KRWDZBQOSA-N 0 1 288.341 3.884 20 0 CHADMN Cc1ccc(Br)c(CN2CC[C@H](C)C2)c1F ZINC001235743186 1130775390 /nfs/dbraw/zinc/77/53/90/1130775390.db2.gz RPCCCFJMDXRQDG-VIFPVBQESA-N 0 1 286.188 3.738 20 0 CHADMN Cc1ccc(Br)c(CN2C[C@H]3CC[C@@H]2C3)c1F ZINC001235750125 1130776950 /nfs/dbraw/zinc/77/69/50/1130776950.db2.gz NHUBIGLFCHCNAW-WDEREUQCSA-N 0 1 298.199 3.881 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@H](C)C2)cnc1Br ZINC001235824868 1130783176 /nfs/dbraw/zinc/78/31/76/1130783176.db2.gz BISQEBCHMFFDCT-PHIMTYICSA-N 0 1 297.240 3.630 20 0 CHADMN Cc1cc(NCc2[nH]nc3ccccc32)cnc1Cl ZINC000694036537 1130783703 /nfs/dbraw/zinc/78/37/03/1130783703.db2.gz BTEOWRZMCPYMJW-UHFFFAOYSA-N 0 1 272.739 3.532 20 0 CHADMN CCC[C@H]1CCCCN1Cc1ccnc(OC)c1Cl ZINC001235841225 1130787110 /nfs/dbraw/zinc/78/71/10/1130787110.db2.gz CEPBGSRFUJFIHM-ZDUSSCGKSA-N 0 1 282.815 3.898 20 0 CHADMN CCSc1cccc(CN[C@H](C)c2cc(C)nn2C)c1 ZINC000813884103 1130794922 /nfs/dbraw/zinc/79/49/22/1130794922.db2.gz IGYXNAOCVIEJQX-CYBMUJFWSA-N 0 1 289.448 3.691 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cc(O)cc(Cl)c1 ZINC001235904551 1130802281 /nfs/dbraw/zinc/80/22/81/1130802281.db2.gz VTGFXONUSQJEOL-UHFFFAOYSA-N 0 1 274.707 3.598 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(OC(C)(C)C)cc2)nc1 ZINC001235926658 1130807502 /nfs/dbraw/zinc/80/75/02/1130807502.db2.gz KMWAMMUPPRBSBV-UHFFFAOYSA-N 0 1 284.403 3.988 20 0 CHADMN CNc1ccc(CN2CCc3c(Cl)cccc3C2)cc1 ZINC001235949844 1130815208 /nfs/dbraw/zinc/81/52/08/1130815208.db2.gz UXEZELSNIXDRKM-UHFFFAOYSA-N 0 1 286.806 3.940 20 0 CHADMN COc1ccc([C@H](NC[C@@H]2CCC=CO2)c2ccco2)cc1 ZINC000783309345 1130815500 /nfs/dbraw/zinc/81/55/00/1130815500.db2.gz HXSAWGYWHMSNCJ-WMZOPIPTSA-N 0 1 299.370 3.660 20 0 CHADMN Oc1c(F)cc(F)c(-c2cnc3cc(F)ccc3n2)c1F ZINC001235987836 1130822664 /nfs/dbraw/zinc/82/26/64/1130822664.db2.gz YYARRWMFWIRKKS-UHFFFAOYSA-N 0 1 294.207 3.559 20 0 CHADMN Cc1csc2c1ncnc2-c1c(F)cc(F)c(O)c1F ZINC001235986527 1130822922 /nfs/dbraw/zinc/82/29/22/1130822922.db2.gz SRPGZIQWPUVGDG-UHFFFAOYSA-N 0 1 296.273 3.790 20 0 CHADMN Cc1csc2ncnc(-c3c(F)cc(F)c(O)c3F)c12 ZINC001235985124 1130823266 /nfs/dbraw/zinc/82/32/66/1130823266.db2.gz JPFLMAHNKFLJGV-UHFFFAOYSA-N 0 1 296.273 3.790 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc(C3CC3)cn2)c1F ZINC001235983851 1130823474 /nfs/dbraw/zinc/82/34/74/1130823474.db2.gz HRANDDNZLAMKML-UHFFFAOYSA-N 0 1 265.234 3.749 20 0 CHADMN CC(C)(O)c1ccccc1-c1c(F)cc(F)c(O)c1F ZINC001235993925 1130824057 /nfs/dbraw/zinc/82/40/57/1130824057.db2.gz HNXZTNKZCTVNFA-UHFFFAOYSA-N 0 1 282.261 3.704 20 0 CHADMN CC(=O)Nc1ccc(-c2c(F)cc(F)c(O)c2F)cc1F ZINC001235996103 1130824141 /nfs/dbraw/zinc/82/41/41/1130824141.db2.gz STIKNMDQMNMOAE-UHFFFAOYSA-N 0 1 299.223 3.574 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc3ncc(F)cc3n2)c1F ZINC001235991795 1130824787 /nfs/dbraw/zinc/82/47/87/1130824787.db2.gz XTIGLLJYDAZZSQ-UHFFFAOYSA-N 0 1 294.207 3.559 20 0 CHADMN CCOc1cc(C)c(-c2c(F)cc(F)c(O)c2F)cn1 ZINC001235995231 1130824937 /nfs/dbraw/zinc/82/49/37/1130824937.db2.gz BURMSMCUKVADNG-UHFFFAOYSA-N 0 1 283.249 3.579 20 0 CHADMN O=c1ccc2cccc(-c3c(F)cc(F)c(O)c3F)c2o1 ZINC001235998971 1130826545 /nfs/dbraw/zinc/82/65/45/1130826545.db2.gz UOVJBASJHXTUBN-UHFFFAOYSA-N 0 1 292.212 3.583 20 0 CHADMN CCOCOc1ccc(CN(CC)Cc2ccoc2)cc1 ZINC000783457914 1130826836 /nfs/dbraw/zinc/82/68/36/1130826836.db2.gz AIEKKRXPNIUTCI-UHFFFAOYSA-N 0 1 289.375 3.675 20 0 CHADMN O=c1ccc2cc(-c3c(F)cc(F)c(O)c3F)ccc2o1 ZINC001235997715 1130826983 /nfs/dbraw/zinc/82/69/83/1130826983.db2.gz HGAMYDGYPKZHLI-UHFFFAOYSA-N 0 1 292.212 3.583 20 0 CHADMN Nc1ccc2cccc(-c3c(F)cc(F)c(O)c3F)c2n1 ZINC001236002246 1130829306 /nfs/dbraw/zinc/82/93/06/1130829306.db2.gz LQJOFOQKYSMGMH-UHFFFAOYSA-N 0 1 290.244 3.607 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc(OC3CCC3)nc2)c1F ZINC001236000326 1130829576 /nfs/dbraw/zinc/82/95/76/1130829576.db2.gz PXRDTMUBKFTBNV-UHFFFAOYSA-N 0 1 295.260 3.803 20 0 CHADMN CSc1ncc(C)cc1-c1c(F)cc(F)c(O)c1F ZINC001236000770 1130830531 /nfs/dbraw/zinc/83/05/31/1130830531.db2.gz LMJWDWSPVOLZDV-UHFFFAOYSA-N 0 1 285.290 3.902 20 0 CHADMN c1cn(-c2ccnc(-c3ccc(-c4ccncc4)cc3)c2)cn1 ZINC001236036190 1130834412 /nfs/dbraw/zinc/83/44/12/1130834412.db2.gz GVADEHGOLOKIRB-UHFFFAOYSA-N 0 1 298.349 3.996 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1ccc(-c2ccncc2)cc1 ZINC001236037076 1130834507 /nfs/dbraw/zinc/83/45/07/1130834507.db2.gz GWALXFRDMLKFQU-UHFFFAOYSA-N 0 1 290.301 3.826 20 0 CHADMN Cc1cc(CN2Cc3ccccc3O[C@H](C)C2)c(C)o1 ZINC000814177966 1130834689 /nfs/dbraw/zinc/83/46/89/1130834689.db2.gz XCLITTBQJMZMOW-CYBMUJFWSA-N 0 1 271.360 3.680 20 0 CHADMN O=C1C[C@@H](c2ccccc2)N1CN1CCCC2(CCCC2)C1 ZINC000783541424 1130836469 /nfs/dbraw/zinc/83/64/69/1130836469.db2.gz BENCSZRZWHDEKO-KRWDZBQOSA-N 0 1 298.430 3.574 20 0 CHADMN CC(C)[C@@H]1N(Cc2ccc(Cl)nc2)CC12CCC2 ZINC000814171076 1130838136 /nfs/dbraw/zinc/83/81/36/1130838136.db2.gz JRWSHOBNIFAOTB-AWEZNQCLSA-N 0 1 264.800 3.746 20 0 CHADMN CC(C)[C@H]1N(Cc2cccnc2Cl)CC12CCC2 ZINC000814170685 1130839195 /nfs/dbraw/zinc/83/91/95/1130839195.db2.gz CCXVPEYJQMYXNE-CYBMUJFWSA-N 0 1 264.800 3.746 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1ccnn1Cc1ccccc1 ZINC001236049407 1130839282 /nfs/dbraw/zinc/83/92/82/1130839282.db2.gz RHPRLKGGPIBOAH-UHFFFAOYSA-N 0 1 288.354 3.783 20 0 CHADMN Fc1cccc2c1CCN(Cc1ccc3c(c1)NCCC3)C2 ZINC001236048288 1130839336 /nfs/dbraw/zinc/83/93/36/1130839336.db2.gz RTAKYNPFTNGIBA-UHFFFAOYSA-N 0 1 296.389 3.742 20 0 CHADMN Clc1cccc2c1CN(Cc1cccc3c1CCN3)CC2 ZINC001236079465 1130851429 /nfs/dbraw/zinc/85/14/29/1130851429.db2.gz UPUVTHDHCRHFFG-UHFFFAOYSA-N 0 1 298.817 3.866 20 0 CHADMN Cc1cccc([C@@H]2CCN(Cn3cc(C)cnc3=S)C2)c1 ZINC000784024553 1130869484 /nfs/dbraw/zinc/86/94/84/1130869484.db2.gz FYAOOYJYXGVVOY-MRXNPFEDSA-N 0 1 299.443 3.676 20 0 CHADMN Cc1ccc([C@H]2CCN(Cn3cc(C)cnc3=S)C2)cc1 ZINC000784024131 1130869852 /nfs/dbraw/zinc/86/98/52/1130869852.db2.gz XHYHRFYSGPBXCF-INIZCTEOSA-N 0 1 299.443 3.676 20 0 CHADMN CN(C)Cc1cccc(-c2cccnc2N2CCCC2)c1F ZINC001236137654 1130874219 /nfs/dbraw/zinc/87/42/19/1130874219.db2.gz WFSRDSXUCXAXLX-UHFFFAOYSA-N 0 1 299.393 3.550 20 0 CHADMN CN[C@@H]1CCN1Cc1ccccc1-c1ccccc1Cl ZINC001236165781 1130878234 /nfs/dbraw/zinc/87/82/34/1130878234.db2.gz GBERCEUGULBACO-KRWDZBQOSA-N 0 1 286.806 3.758 20 0 CHADMN CN[C@H]1CCN1Cc1cccc2c3ccccc3sc21 ZINC001236168200 1130878418 /nfs/dbraw/zinc/87/84/18/1130878418.db2.gz UPXCFIYMTCHOTL-MRXNPFEDSA-N 0 1 282.412 3.806 20 0 CHADMN CC(C)[C@H](F)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000784146117 1130883812 /nfs/dbraw/zinc/88/38/12/1130883812.db2.gz NRRQWEWFMPGMPK-ZDUSSCGKSA-N 0 1 291.370 3.793 20 0 CHADMN C[C@@H](NC[C@@](C)(O)C(F)F)c1cccc(Cl)c1Cl ZINC000698703029 1130893885 /nfs/dbraw/zinc/89/38/85/1130893885.db2.gz KOPDIBDPFRZYJX-JMCQJSRRSA-N 0 1 298.160 3.660 20 0 CHADMN FC(F)(F)[C@H]1CC=C(c2cc3[nH]cnc3cn2)CC1 ZINC001236243265 1130902730 /nfs/dbraw/zinc/90/27/30/1130902730.db2.gz ANMJLLKUJJBASN-VIFPVBQESA-N 0 1 267.254 3.704 20 0 CHADMN CN(C)Cc1ccc(C2=CC[C@@H](C(F)(F)F)CC2)nc1 ZINC001236249102 1130905355 /nfs/dbraw/zinc/90/53/55/1130905355.db2.gz ITWMJEHJWLKWGC-CYBMUJFWSA-N 0 1 284.325 3.889 20 0 CHADMN CSCSc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000814744184 1130907006 /nfs/dbraw/zinc/90/70/06/1130907006.db2.gz UFRNYVIYBFJJJS-UHFFFAOYSA-N 0 1 278.324 3.994 20 0 CHADMN CCCC=Nc1c(Cl)nc(Cl)nc1Cl ZINC001170767833 1130915595 /nfs/dbraw/zinc/91/55/95/1130915595.db2.gz YFMQLYLAVNUJOO-ONEGZZNKSA-N 0 1 252.532 3.772 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)O[C@@H]1CCc2ccccc21 ZINC000784878423 1130921716 /nfs/dbraw/zinc/92/17/16/1130921716.db2.gz GYMLDZLIVRDOMT-CQSZACIVSA-N 0 1 284.359 3.686 20 0 CHADMN c1n[nH]c2c1[C@@H](Nc1ccc3nc(C4CC4)oc3c1)CCC2 ZINC000796885409 1130942580 /nfs/dbraw/zinc/94/25/80/1130942580.db2.gz HHUVNCISBAAHHL-ZDUSSCGKSA-N 0 1 294.358 3.918 20 0 CHADMN CCc1ccc(CN2Cc3ccccc3[C@@H](C)C2)nc1 ZINC000815012441 1130951324 /nfs/dbraw/zinc/95/13/24/1130951324.db2.gz IEJBSELPASOTCR-AWEZNQCLSA-N 0 1 266.388 3.763 20 0 CHADMN O=C([O-])c1ccc(-c2[nH+]ccc3[nH]ccc32)c(Cl)c1 ZINC001245370648 1130953450 /nfs/dbraw/zinc/95/34/50/1130953450.db2.gz ABCXJMUNVLOWLC-UHFFFAOYSA-N 0 1 272.691 3.582 20 0 CHADMN CCC[C@@H]1CCCN(Cc2ccnc(Br)c2)C1 ZINC000815060912 1130954997 /nfs/dbraw/zinc/95/49/97/1130954997.db2.gz FXURPDVKANRWPB-GFCCVEGCSA-N 0 1 297.240 3.856 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1N[C@H](C)CCO ZINC000797045891 1130955722 /nfs/dbraw/zinc/95/57/22/1130955722.db2.gz UQLJDYBCUAWCLT-OAHLLOKOSA-N 0 1 276.424 3.558 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cnn(C)c2Cl)cc1 ZINC000815128594 1130961004 /nfs/dbraw/zinc/96/10/04/1130961004.db2.gz HGWNBVLZKXQJSM-UHFFFAOYSA-N 0 1 291.826 3.661 20 0 CHADMN C[C@H](COC(=O)[C@H]1CCCc2[nH]ncc21)C1CCCCC1 ZINC000815219653 1130970981 /nfs/dbraw/zinc/97/09/81/1130970981.db2.gz NXODYGNUXZKUJL-OCCSQVGLSA-N 0 1 290.407 3.589 20 0 CHADMN Cl/C=C/CN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000815207700 1130972475 /nfs/dbraw/zinc/97/24/75/1130972475.db2.gz NEPBJYMTMBCABX-ZACCDDSSSA-N 0 1 272.175 3.546 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@H]2c2ccccc2F)o1 ZINC001236591883 1130982569 /nfs/dbraw/zinc/98/25/69/1130982569.db2.gz UKFKDXWIYRWAHT-HNNXBMFYSA-N 0 1 274.339 3.768 20 0 CHADMN Fc1cc(CN2CCC23CCCC3)c2c(c1)CCCO2 ZINC001236614786 1130983645 /nfs/dbraw/zinc/98/36/45/1130983645.db2.gz ATBIXYKEDNOAPB-UHFFFAOYSA-N 0 1 275.367 3.669 20 0 CHADMN Clc1nccnc1CN1CCC[C@H](c2ccccc2)C1 ZINC001236611043 1130984336 /nfs/dbraw/zinc/98/43/36/1130984336.db2.gz JUJJDRFUVUWFOR-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN Fc1cc(CN2CC3CCC2CC3)c2c(c1)CCCO2 ZINC001236631209 1130984710 /nfs/dbraw/zinc/98/47/10/1130984710.db2.gz ZAZXRJXTYNMUOT-UHFFFAOYSA-N 0 1 275.367 3.525 20 0 CHADMN Fc1c(Br)cccc1-c1cc2nc[nH]c2cn1 ZINC001245483536 1130991144 /nfs/dbraw/zinc/99/11/44/1130991144.db2.gz NXIRJGSKPCOLLX-UHFFFAOYSA-N 0 1 292.111 3.527 20 0 CHADMN COc1cc2ccccc2cc1CN1CC2(CCC2)C1 ZINC001236677033 1130991070 /nfs/dbraw/zinc/99/10/70/1130991070.db2.gz GLKBYNDCXQUEJL-UHFFFAOYSA-N 0 1 267.372 3.834 20 0 CHADMN CC1=C[C@H](C)CN(CC(=O)Nc2ccc3ccccc3c2)C1 ZINC000797526456 1130991227 /nfs/dbraw/zinc/99/12/27/1130991227.db2.gz QOVRMRFNEMUWOA-AWEZNQCLSA-N 0 1 294.398 3.676 20 0 CHADMN CC(C)[C@H]1COCCN1Cc1cccc2sccc21 ZINC001236682852 1130992125 /nfs/dbraw/zinc/99/21/25/1130992125.db2.gz NVDKIAYZLREING-OAHLLOKOSA-N 0 1 275.417 3.758 20 0 CHADMN Oc1cc(CN2CCCCCCC2)ccc1Br ZINC001236683615 1130993024 /nfs/dbraw/zinc/99/30/24/1130993024.db2.gz BYWDKTLNEHWHNT-UHFFFAOYSA-N 0 1 298.224 3.921 20 0 CHADMN c1cc2c(cccc2CN2CCc3ncccc3C2)s1 ZINC001236688887 1130994516 /nfs/dbraw/zinc/99/45/16/1130994516.db2.gz FITUHOWFOXYMAJ-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN Cc1cc(CN2CCC(C)=C(C)C2)cc(Cl)n1 ZINC000797603957 1130996927 /nfs/dbraw/zinc/99/69/27/1130996927.db2.gz AZWPSIONJQKKAG-UHFFFAOYSA-N 0 1 250.773 3.586 20 0 CHADMN Cc1c(F)ccc(CN2C[C@H]3[C@H](CC3(F)F)C2)c1Cl ZINC001236708438 1130998111 /nfs/dbraw/zinc/99/81/11/1130998111.db2.gz POALJXGIOQETLU-MNOVXSKESA-N 0 1 289.728 3.875 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1cn2ccccc2n1 ZINC000815555126 1130998288 /nfs/dbraw/zinc/99/82/88/1130998288.db2.gz QFIKPDFYMDGGOA-ZDUSSCGKSA-N 0 1 283.350 3.633 20 0 CHADMN Cc1c(F)ccc(CN2CCC3(CCCO3)CC2)c1Cl ZINC001236719865 1130999307 /nfs/dbraw/zinc/99/93/07/1130999307.db2.gz UXTUBLRVFDJMQZ-UHFFFAOYSA-N 0 1 297.801 3.933 20 0 CHADMN O=C1CCN(Cc2cccc3ccoc32)[C@H]2CCCC[C@@H]12 ZINC001236733558 1131001782 /nfs/dbraw/zinc/00/17/82/1131001782.db2.gz UYHWWASWMOJFOX-CVEARBPZSA-N 0 1 283.371 3.766 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1ccc(F)cn1 ZINC000815589533 1131004983 /nfs/dbraw/zinc/00/49/83/1131004983.db2.gz WGTRZNKSAADZLR-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1cccc(F)n1 ZINC000815597756 1131006327 /nfs/dbraw/zinc/00/63/27/1131006327.db2.gz FGFQDNYYDQAJJF-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN CO[C@@H](CN[C@H](C)c1cccc(C2CC2)c1)C(F)(F)F ZINC000815605300 1131011834 /nfs/dbraw/zinc/01/18/34/1131011834.db2.gz QGFVKKYYYGTZHZ-YGRLFVJLSA-N 0 1 287.325 3.792 20 0 CHADMN COc1cc(CN2CCC[C@@H](C)CC2)c(F)cc1F ZINC001236816864 1131013415 /nfs/dbraw/zinc/01/34/15/1131013415.db2.gz IIWWEUYXUMADGI-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(N)cc2Cl)cc1F ZINC001245509686 1131018918 /nfs/dbraw/zinc/01/89/18/1131018918.db2.gz KUKOISLDTSIYAX-UHFFFAOYSA-N 0 1 278.758 3.790 20 0 CHADMN Cc1cccc(CN(C)C[C@H]2CCCCO2)c1Cl ZINC001236853042 1131024246 /nfs/dbraw/zinc/02/42/46/1131024246.db2.gz IEPHAYNBJMIOET-CQSZACIVSA-N 0 1 267.800 3.649 20 0 CHADMN COc1cccc([C@@H](C)Nc2ccnc(C)c2Cl)c1 ZINC000798388305 1131035853 /nfs/dbraw/zinc/03/58/53/1131035853.db2.gz NRSMBAPDQMXEAX-SNVBAGLBSA-N 0 1 276.767 3.647 20 0 CHADMN Clc1ccccc1-c1ccc(CN2CC=CC2)cn1 ZINC001237014421 1131035877 /nfs/dbraw/zinc/03/58/77/1131035877.db2.gz IOUKDPWSYLNBNS-UHFFFAOYSA-N 0 1 270.763 3.774 20 0 CHADMN CC(C)[C@@H]1COCCN1Cc1cccc(OC(C)(C)C)c1 ZINC001237104035 1131049763 /nfs/dbraw/zinc/04/97/63/1131049763.db2.gz XGZVCTPMLUAEGY-KRWDZBQOSA-N 0 1 291.435 3.721 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(C3CCC3)cc2)CCC1=O ZINC001237105837 1131050517 /nfs/dbraw/zinc/05/05/17/1131050517.db2.gz XNJZEFDYCFYNIK-CQSZACIVSA-N 0 1 271.404 3.755 20 0 CHADMN O=C(NC1CCCCCCC1)c1ccc(Cl)c(O)c1 ZINC001135373289 1131051763 /nfs/dbraw/zinc/05/17/63/1131051763.db2.gz PQNOAPLGUCHJLF-UHFFFAOYSA-N 0 1 281.783 3.888 20 0 CHADMN F[C@@H]1CN(Cc2ccc(C3CCC3)cc2)C[C@@H]2C[C@@H]21 ZINC001237109091 1131052613 /nfs/dbraw/zinc/05/26/13/1131052613.db2.gz QTWFGZUROVVNBX-YESZJQIVSA-N 0 1 259.368 3.744 20 0 CHADMN CCC[C@@H]1CCCC[N@@H+]1Cc1sc(=O)[n-]c1Cl ZINC001237150966 1131057351 /nfs/dbraw/zinc/05/73/51/1131057351.db2.gz LBWLSHMUDMSJBA-SECBINFHSA-N 0 1 274.817 3.657 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1sc(=O)[n-]c1Cl ZINC001237150966 1131057356 /nfs/dbraw/zinc/05/73/56/1131057356.db2.gz LBWLSHMUDMSJBA-SECBINFHSA-N 0 1 274.817 3.657 20 0 CHADMN O=C(Nc1ccc(F)cc1F)c1ccc(Cl)c(O)c1 ZINC001135412612 1131058723 /nfs/dbraw/zinc/05/87/23/1131058723.db2.gz RHDWAEYTYSVXHJ-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN [S-]c1ccoc1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001237178946 1131064392 /nfs/dbraw/zinc/06/43/92/1131064392.db2.gz MXABKXUIMSBEQA-AWEZNQCLSA-N 0 1 273.401 3.633 20 0 CHADMN [S-]c1ccoc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001237178946 1131064395 /nfs/dbraw/zinc/06/43/95/1131064395.db2.gz MXABKXUIMSBEQA-AWEZNQCLSA-N 0 1 273.401 3.633 20 0 CHADMN CN(C)Cc1cc(NC[C@@H]2CCC=CO2)ccc1Cl ZINC000798961657 1131064847 /nfs/dbraw/zinc/06/48/47/1131064847.db2.gz AXMKYGBMJALNDX-AWEZNQCLSA-N 0 1 280.799 3.506 20 0 CHADMN Oc1cccc(C2CC[NH+](Cc3occc3[S-])CC2)c1 ZINC001237186613 1131065813 /nfs/dbraw/zinc/06/58/13/1131065813.db2.gz MOFZECFHIVNXHX-UHFFFAOYSA-N 0 1 289.400 3.654 20 0 CHADMN Fc1cccc([C@@H]2CC[N@H+](Cc3occc3[S-])C2)c1 ZINC001237191772 1131067889 /nfs/dbraw/zinc/06/78/89/1131067889.db2.gz OXKVSIJPIAXGMV-GFCCVEGCSA-N 0 1 277.364 3.697 20 0 CHADMN Fc1cccc([C@@H]2CC[N@@H+](Cc3occc3[S-])C2)c1 ZINC001237191772 1131067894 /nfs/dbraw/zinc/06/78/94/1131067894.db2.gz OXKVSIJPIAXGMV-GFCCVEGCSA-N 0 1 277.364 3.697 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cnc(Cl)cn2)c(C)c1 ZINC000799116294 1131070425 /nfs/dbraw/zinc/07/04/25/1131070425.db2.gz HRHZDFLKORVUHT-ZDUSSCGKSA-N 0 1 289.810 3.940 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CN1Cc1cnc(Cl)cn1 ZINC000799123154 1131072008 /nfs/dbraw/zinc/07/20/08/1131072008.db2.gz QBQOJLIHJLVWCO-JSGCOSHPSA-N 0 1 287.794 3.508 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1cnc(Cl)cn1 ZINC000799123156 1131072022 /nfs/dbraw/zinc/07/20/22/1131072022.db2.gz QBQOJLIHJLVWCO-TZMCWYRMSA-N 0 1 287.794 3.508 20 0 CHADMN COc1nc(Cl)ccc1CN1CCC[C@@H]2CCC[C@H]21 ZINC001237242221 1131072324 /nfs/dbraw/zinc/07/23/24/1131072324.db2.gz CFUJKYBIUCMIKF-WCQYABFASA-N 0 1 280.799 3.508 20 0 CHADMN FC(F)(F)c1cccc(CN2CCNC3=CCCC[C@H]32)c1 ZINC001237218074 1131072549 /nfs/dbraw/zinc/07/25/49/1131072549.db2.gz DYPXAEPIYHRCJD-OAHLLOKOSA-N 0 1 296.336 3.547 20 0 CHADMN CC[C@H](NCc1cnc(Cl)cn1)c1ccc(C)cc1 ZINC000799154319 1131073321 /nfs/dbraw/zinc/07/33/21/1131073321.db2.gz LITDXPNPGUWJQL-AWEZNQCLSA-N 0 1 275.783 3.679 20 0 CHADMN Clc1cc(Cl)cc(CN2CCNC3=CCCC[C@H]32)c1 ZINC001237218081 1131073526 /nfs/dbraw/zinc/07/35/26/1131073526.db2.gz DYVBZMZSYDPABS-OAHLLOKOSA-N 0 1 297.229 3.835 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CCNC2=CCCC[C@H]21 ZINC001237229318 1131073688 /nfs/dbraw/zinc/07/36/88/1131073688.db2.gz NYNZFNUIQQXWHA-MRXNPFEDSA-N 0 1 294.801 3.629 20 0 CHADMN Cc1ccc(NC(=O)c2ncc3ccccc3c2O)cc1F ZINC001135550935 1131084452 /nfs/dbraw/zinc/08/44/52/1131084452.db2.gz PMMVBZQUEINCFF-UHFFFAOYSA-N 0 1 296.301 3.640 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@](C)(O)[C@@H](C)C2)c1Cl ZINC001138022896 1131085385 /nfs/dbraw/zinc/08/53/85/1131085385.db2.gz QSNYZHLUHNBRBU-LRDDRELGSA-N 0 1 299.817 3.770 20 0 CHADMN Cc1ccc(Cl)c(C[N@H+]2C[C@@H](C)C[C@H]2CO)c1Cl ZINC001237336255 1131086173 /nfs/dbraw/zinc/08/61/73/1131086173.db2.gz ZFFKXLNLCRPAPC-ONGXEEELSA-N 0 1 288.218 3.505 20 0 CHADMN Cc1ccc(Cl)c(CN2C[C@@H](C)C[C@H]2CO)c1Cl ZINC001237336255 1131086178 /nfs/dbraw/zinc/08/61/78/1131086178.db2.gz ZFFKXLNLCRPAPC-ONGXEEELSA-N 0 1 288.218 3.505 20 0 CHADMN C[C@H]1COCC[C@@H]1Nc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001170822451 1131086385 /nfs/dbraw/zinc/08/63/85/1131086385.db2.gz BEWITXVRVJCFQQ-NHYWBVRUSA-N 0 1 281.359 3.553 20 0 CHADMN C[C@@H]1COCC[C@H]1Nc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001170822450 1131086417 /nfs/dbraw/zinc/08/64/17/1131086417.db2.gz BEWITXVRVJCFQQ-IAQYHMDHSA-N 0 1 281.359 3.553 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN1CC2(C1)C[C@@H](F)CS2 ZINC001237350247 1131088815 /nfs/dbraw/zinc/08/88/15/1131088815.db2.gz KXSFXGOTPPKMEK-CYBMUJFWSA-N 0 1 299.842 3.986 20 0 CHADMN Oc1cc(-c2cc(C3CC3)ccn2)c(F)c(F)c1F ZINC001245636197 1131095092 /nfs/dbraw/zinc/09/50/92/1131095092.db2.gz JTDYVFDOYLILCN-UHFFFAOYSA-N 0 1 265.234 3.749 20 0 CHADMN C[C@@H]1CCCN(Cc2cnc(Cl)c(F)c2)C[C@H]1C ZINC001237398075 1131095730 /nfs/dbraw/zinc/09/57/30/1131095730.db2.gz OFIZSXAZKFLLQH-GHMZBOCLSA-N 0 1 270.779 3.742 20 0 CHADMN CC1CCC(N(Cc2cnn(C)c2Cl)C2CC2)CC1 ZINC000816485314 1131097882 /nfs/dbraw/zinc/09/78/82/1131097882.db2.gz IFYDTAGUOVUHQU-UHFFFAOYSA-N 0 1 281.831 3.617 20 0 CHADMN CN(CCc1cccc(Cl)c1)Cc1cc2ccccn2n1 ZINC001237445496 1131099083 /nfs/dbraw/zinc/09/90/83/1131099083.db2.gz HURMIRIAZDCJKE-UHFFFAOYSA-N 0 1 299.805 3.662 20 0 CHADMN CCCCC1CCN(Cc2cc3ccccn3n2)CC1 ZINC001237444279 1131099430 /nfs/dbraw/zinc/09/94/30/1131099430.db2.gz ATNGYIUGRXLHMS-UHFFFAOYSA-N 0 1 271.408 3.737 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1cc2ccccn2n1 ZINC001237450512 1131099683 /nfs/dbraw/zinc/09/96/83/1131099683.db2.gz SOUXBXPZNNHGRU-SFHVURJKSA-N 0 1 279.387 3.917 20 0 CHADMN Oc1cc(-c2cnc3occc3c2)c(F)c(F)c1F ZINC001245637635 1131099780 /nfs/dbraw/zinc/09/97/80/1131099780.db2.gz URFYHYVDZATAAX-UHFFFAOYSA-N 0 1 265.190 3.618 20 0 CHADMN Oc1ccc(F)c(CNCCCCc2ccccc2)c1F ZINC000816531055 1131105279 /nfs/dbraw/zinc/10/52/79/1131105279.db2.gz DYQAVTOONQJWPT-UHFFFAOYSA-N 0 1 291.341 3.783 20 0 CHADMN [O-]c1ccc(F)c(C[NH2+]CCCCc2ccccc2)c1F ZINC000816531055 1131105282 /nfs/dbraw/zinc/10/52/82/1131105282.db2.gz DYQAVTOONQJWPT-UHFFFAOYSA-N 0 1 291.341 3.783 20 0 CHADMN COc1c(C)cccc1CN1CCc2ccccc2C1 ZINC001237503150 1131105722 /nfs/dbraw/zinc/10/57/22/1131105722.db2.gz FBWPKVYVGWFMRS-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN C[C@@H]1CCCC[N@@H+](Cc2cc(Cl)nc(Cl)c2[O-])C1 ZINC001237524682 1131110532 /nfs/dbraw/zinc/11/05/32/1131110532.db2.gz FXHBZVCITIMASS-SECBINFHSA-N 0 1 289.206 3.716 20 0 CHADMN C[C@H](CN1C[C@@H](C)[C@H]1C)c1cccc(Br)c1 ZINC000816648491 1131118944 /nfs/dbraw/zinc/11/89/44/1131118944.db2.gz LJCDJQHQHXKUOR-IJLUTSLNSA-N 0 1 282.225 3.893 20 0 CHADMN CC(C)CC1(C)CCN(Cc2ccns2)CC1 ZINC001170836507 1131114250 /nfs/dbraw/zinc/11/42/50/1131114250.db2.gz UKEQEUMEIJNVKI-UHFFFAOYSA-N 0 1 252.427 3.791 20 0 CHADMN COc1ccc(OC)c(CN2CCCCCCC2)c1F ZINC001237585379 1131116179 /nfs/dbraw/zinc/11/61/79/1131116179.db2.gz OHARQPHZGGJJDM-UHFFFAOYSA-N 0 1 281.371 3.609 20 0 CHADMN Cc1nn(-c2ccc(Cl)cc2)cc1CN1C[C@@H](C)[C@@H]1C ZINC000816646581 1131117535 /nfs/dbraw/zinc/11/75/35/1131117535.db2.gz GECCUTNELWDZRD-YPMHNXCESA-N 0 1 289.810 3.674 20 0 CHADMN CC[C@H](C)Oc1cc(CN2C[C@@H](C)[C@H]2C)ccc1OC ZINC000816647313 1131119063 /nfs/dbraw/zinc/11/90/63/1131119063.db2.gz QPQHUTZFEQGXMA-HZSPNIEDSA-N 0 1 277.408 3.713 20 0 CHADMN C[C@@H]1CN(Cc2cnc(-c3cccs3)s2)[C@H]1C ZINC000816647191 1131119414 /nfs/dbraw/zinc/11/94/14/1131119414.db2.gz ORZRWHRNTLJXLV-ZJUUUORDSA-N 0 1 264.419 3.712 20 0 CHADMN CCCOc1ccc(CN2C[C@H](C)[C@@H]2C)cc1OCC ZINC000816649434 1131120464 /nfs/dbraw/zinc/12/04/64/1131120464.db2.gz ZGAZYPAFRBTKEK-KBPBESRZSA-N 0 1 277.408 3.714 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Oc3ccccc3)o2)[C@@H]1C ZINC000816647763 1131121289 /nfs/dbraw/zinc/12/12/89/1131121289.db2.gz XZQBLRUHDMFORI-CHWSQXEVSA-N 0 1 257.333 3.912 20 0 CHADMN CCOc1cc(CN2C[C@H](C)[C@@H]2C)ccc1OC(F)F ZINC000816649477 1131121355 /nfs/dbraw/zinc/12/13/55/1131121355.db2.gz ZXAZBJBINDRVFS-QWRGUYRKSA-N 0 1 285.334 3.527 20 0 CHADMN COC(=O)Cc1ccc(-c2cc(Cl)c(O)cc2F)cc1 ZINC001245670481 1131122254 /nfs/dbraw/zinc/12/22/54/1131122254.db2.gz XQRZPFNCLFWCDS-UHFFFAOYSA-N 0 1 294.709 3.567 20 0 CHADMN Cc1ccc(-c2cc(Cl)c(O)cc2F)c(C)n1 ZINC001245670277 1131122260 /nfs/dbraw/zinc/12/22/60/1131122260.db2.gz VINJYHOPGXZZMQ-UHFFFAOYSA-N 0 1 251.688 3.864 20 0 CHADMN Oc1ccc(-c2ccc(CN3CC[C@H](F)C3)cc2)cc1 ZINC001237657979 1131125106 /nfs/dbraw/zinc/12/51/06/1131125106.db2.gz OCLWWDTULITKAY-INIZCTEOSA-N 0 1 271.335 3.603 20 0 CHADMN CCc1n[nH]cc1CN(CC)Cc1ccc(Cl)cc1 ZINC001237653145 1131125139 /nfs/dbraw/zinc/12/51/39/1131125139.db2.gz BQDSVKLIKUNMPG-UHFFFAOYSA-N 0 1 277.799 3.648 20 0 CHADMN CCN(CCCC(=O)OC)Cc1cc(C)cc(C)c1Cl ZINC001237696006 1131128432 /nfs/dbraw/zinc/12/84/32/1131128432.db2.gz ANFGETGYABQQLC-UHFFFAOYSA-N 0 1 297.826 3.732 20 0 CHADMN O=C(NC1CCCCCCC1)c1cc2[nH]cnc2cc1F ZINC000816820598 1131130021 /nfs/dbraw/zinc/13/00/21/1131130021.db2.gz RXVQJSODMXQFBR-UHFFFAOYSA-N 0 1 289.354 3.545 20 0 CHADMN Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@@H](CCO)C2)c1 ZINC001237701766 1131130185 /nfs/dbraw/zinc/13/01/85/1131130185.db2.gz NBZALNXWCQRIHN-AWEZNQCLSA-N 0 1 281.827 3.551 20 0 CHADMN COc1ccc(C)c(C[N@H+]2CCc3cccc(OC)c3C2)c1 ZINC001237707267 1131131008 /nfs/dbraw/zinc/13/10/08/1131131008.db2.gz IFHZVBIUWRKTPC-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN COc1ccc(C)c(CN2CCc3cccc(OC)c3C2)c1 ZINC001237707267 1131131009 /nfs/dbraw/zinc/13/10/09/1131131009.db2.gz IFHZVBIUWRKTPC-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN CCN(Cc1ccccc1F)Cc1ccccc1N(C)C ZINC001116161238 1131131800 /nfs/dbraw/zinc/13/18/00/1131131800.db2.gz KEFCADWYAZAEQA-UHFFFAOYSA-N 0 1 286.394 3.914 20 0 CHADMN Cc1nc(OC(C)C)ccc1Nc1cccc2[nH]ncc21 ZINC001159574565 1131133651 /nfs/dbraw/zinc/13/36/51/1131133651.db2.gz HFUPCBXBIVJDLI-UHFFFAOYSA-N 0 1 282.347 3.797 20 0 CHADMN Cc1nc(C[N@@H+](C)CCc2ccccc2Cl)ccc1F ZINC001237818861 1131143974 /nfs/dbraw/zinc/14/39/74/1131143974.db2.gz WFLXFYJDNWVLTA-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccccc2Cl)n[nH]1 ZINC001116439765 1131145668 /nfs/dbraw/zinc/14/56/68/1131145668.db2.gz RXEXIQCPDQPHPY-HNNXBMFYSA-N 0 1 275.783 3.709 20 0 CHADMN COc1cccc(CN2CCC(C)(C)C2)c1Br ZINC001237862118 1131145774 /nfs/dbraw/zinc/14/57/74/1131145774.db2.gz SZOUBDXWHXLQDJ-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN COc1ccoc1CN1CCC[C@H]1c1ccc(OC)cc1 ZINC001237870807 1131146472 /nfs/dbraw/zinc/14/64/72/1131146472.db2.gz GDPRXYYPEXGKDW-HNNXBMFYSA-N 0 1 287.359 3.634 20 0 CHADMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1occc1OC ZINC001237876557 1131146807 /nfs/dbraw/zinc/14/68/07/1131146807.db2.gz OYJXYHWEIOHENR-HNNXBMFYSA-N 0 1 271.360 3.798 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1occc1OC ZINC001237876557 1131146809 /nfs/dbraw/zinc/14/68/09/1131146809.db2.gz OYJXYHWEIOHENR-HNNXBMFYSA-N 0 1 271.360 3.798 20 0 CHADMN COc1ccoc1CN1CCC[C@H]1c1ccc(C)cc1 ZINC001237870927 1131146965 /nfs/dbraw/zinc/14/69/65/1131146965.db2.gz IFUJELHWEAIFLN-HNNXBMFYSA-N 0 1 271.360 3.934 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CCC[C@@H](C)CC1 ZINC001237879778 1131146974 /nfs/dbraw/zinc/14/69/74/1131146974.db2.gz VNLAWPPOTULONE-CYBMUJFWSA-N 0 1 287.407 3.640 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC001237874618 1131147379 /nfs/dbraw/zinc/14/73/79/1131147379.db2.gz HHMXYQPZNFGFTA-STQMWFEESA-N 0 1 287.407 3.639 20 0 CHADMN CCCOc1cc(F)ccc1CN1CCCC[C@@H]1C ZINC001237904109 1131150098 /nfs/dbraw/zinc/15/00/98/1131150098.db2.gz WQFJYDWTLXPSLY-ZDUSSCGKSA-N 0 1 265.372 3.989 20 0 CHADMN CCOc1cc(F)cc(CN2CC3(C2)CCCC3)c1 ZINC001237913998 1131152070 /nfs/dbraw/zinc/15/20/70/1131152070.db2.gz UECGLWQPZCPITE-UHFFFAOYSA-N 0 1 263.356 3.600 20 0 CHADMN Cc1c(C(=O)NCCCCC(C)(C)C)ccc2cncn21 ZINC001116547410 1131154940 /nfs/dbraw/zinc/15/49/40/1131154940.db2.gz IXLKYZFHZYOYAN-UHFFFAOYSA-N 0 1 287.407 3.589 20 0 CHADMN CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)cc1F ZINC001237953496 1131155265 /nfs/dbraw/zinc/15/52/65/1131155265.db2.gz AWSZEVJYNNRWIR-BETUJISGSA-N 0 1 299.336 3.702 20 0 CHADMN FC(F)(F)c1ncc(CN(CC2CC2)C2CC2)s1 ZINC001237947505 1131155371 /nfs/dbraw/zinc/15/53/71/1131155371.db2.gz CVYXHZCJBSURPH-UHFFFAOYSA-N 0 1 276.327 3.536 20 0 CHADMN CC(C)n1ncc2c1[C@@H](N[C@@H](C)c1cncs1)CCC2 ZINC001116604758 1131156778 /nfs/dbraw/zinc/15/67/78/1131156778.db2.gz UYORZZOHIXUQGZ-AAEUAGOBSA-N 0 1 290.436 3.649 20 0 CHADMN Cc1sccc1C[N@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001237975313 1131156893 /nfs/dbraw/zinc/15/68/93/1131156893.db2.gz ZIJPAAKKSTXSKA-MRXNPFEDSA-N 0 1 285.412 3.761 20 0 CHADMN C[C@H]1CCC[N@H+]1Cc1csc(-c2cccc(F)c2)n1 ZINC001237976000 1131156934 /nfs/dbraw/zinc/15/69/34/1131156934.db2.gz KXHUQZTYBDLTPD-NSHDSACASA-N 0 1 276.380 3.934 20 0 CHADMN C[C@H]1CCCN1Cc1csc(-c2cccc(F)c2)n1 ZINC001237976000 1131156936 /nfs/dbraw/zinc/15/69/36/1131156936.db2.gz KXHUQZTYBDLTPD-NSHDSACASA-N 0 1 276.380 3.934 20 0 CHADMN [O-]c1c(F)cc(C[N@H+](Cc2ccco2)C2CC2)cc1Cl ZINC001237987268 1131157650 /nfs/dbraw/zinc/15/76/50/1131157650.db2.gz BBEGCDFBQLMPJE-UHFFFAOYSA-N 0 1 295.741 3.942 20 0 CHADMN [O-]c1c(F)cc(C[N@@H+](Cc2ccco2)C2CC2)cc1Cl ZINC001237987268 1131157652 /nfs/dbraw/zinc/15/76/52/1131157652.db2.gz BBEGCDFBQLMPJE-UHFFFAOYSA-N 0 1 295.741 3.942 20 0 CHADMN Oc1c(F)cc(CN2CCc3ccsc3C2)cc1Cl ZINC001237989469 1131157801 /nfs/dbraw/zinc/15/78/01/1131157801.db2.gz LHXSSVBTYOLITK-UHFFFAOYSA-N 0 1 297.782 3.805 20 0 CHADMN C[C@@H]1CN(Cc2cc(F)c(O)c(Cl)c2)CCC1(F)F ZINC001237982980 1131158622 /nfs/dbraw/zinc/15/86/22/1131158622.db2.gz BTHYTHBDLDODOD-MRVPVSSYSA-N 0 1 293.716 3.662 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)cc1Cl ZINC001237984065 1131158694 /nfs/dbraw/zinc/15/86/94/1131158694.db2.gz LGYYVFJFDOLWEQ-RYUDHWBXSA-N 0 1 283.774 3.807 20 0 CHADMN CN(Cc1csc(-c2ccc(O)cc2)n1)C1CCCC1 ZINC001237981555 1131158916 /nfs/dbraw/zinc/15/89/16/1131158916.db2.gz UOLCEIIGNBIWEM-UHFFFAOYSA-N 0 1 288.416 3.890 20 0 CHADMN [O-]c1c(F)cc(C[NH+]2CCC(C(F)F)CC2)cc1Cl ZINC001237997063 1131159874 /nfs/dbraw/zinc/15/98/74/1131159874.db2.gz LQKFTZAYACOVCR-UHFFFAOYSA-N 0 1 293.716 3.662 20 0 CHADMN CN(Cc1cccs1)Cc1[nH]nc2cc(Cl)ccc21 ZINC001237996302 1131160050 /nfs/dbraw/zinc/16/00/50/1131160050.db2.gz NYTCPYBMSVJFKG-UHFFFAOYSA-N 0 1 291.807 3.910 20 0 CHADMN Clc1ccc2c(c1)n[nH]c2CN1CC2(C1)CCCCC2 ZINC001238004467 1131161101 /nfs/dbraw/zinc/16/11/01/1131161101.db2.gz OBSJAGLKIUDITA-UHFFFAOYSA-N 0 1 289.810 3.982 20 0 CHADMN COc1ccc(C(F)(F)F)c(CN2CCC(C)CC2)c1 ZINC001238053612 1131164565 /nfs/dbraw/zinc/16/45/65/1131164565.db2.gz PZCADWLXNWJZHH-UHFFFAOYSA-N 0 1 287.325 3.946 20 0 CHADMN COc1ccc(C(F)(F)F)c(CN2CCCC23CC3)c1 ZINC001238053333 1131165317 /nfs/dbraw/zinc/16/53/17/1131165317.db2.gz OGGLZTWPWHTDLP-UHFFFAOYSA-N 0 1 285.309 3.842 20 0 CHADMN Cc1cc(CN(C)Cc2ccccc2N(C)C)cs1 ZINC001170870361 1131167965 /nfs/dbraw/zinc/16/79/65/1131167965.db2.gz KAEFWZDDAOAIRY-UHFFFAOYSA-N 0 1 274.433 3.755 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3occc32)cc(Cl)n1 ZINC001116899078 1131169784 /nfs/dbraw/zinc/16/97/84/1131169784.db2.gz JTMXESOAXPZSQS-CYBMUJFWSA-N 0 1 276.767 3.804 20 0 CHADMN C[C@H](O)c1ccc(CN[C@@H](C)c2ccncc2Cl)cc1 ZINC000817573174 1131170755 /nfs/dbraw/zinc/17/07/55/1131170755.db2.gz BXOUCEFQUUUINP-RYUDHWBXSA-N 0 1 290.794 3.639 20 0 CHADMN CC[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1C ZINC001238101992 1131171367 /nfs/dbraw/zinc/17/13/67/1131171367.db2.gz XNAFSYIKCMJFQV-UHFFFAOYSA-N 0 1 255.361 3.723 20 0 CHADMN Cc1ccc(O)cc1CN1CCSc2ccccc2C1 ZINC001238109671 1131171640 /nfs/dbraw/zinc/17/16/40/1131171640.db2.gz JVOTWYJSHFXQDM-UHFFFAOYSA-N 0 1 285.412 3.809 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c([O-])cc1F ZINC001238150469 1131174303 /nfs/dbraw/zinc/17/43/03/1131174303.db2.gz VMRYQAPAFLHFCU-LLVKDONJSA-N 0 1 271.763 3.949 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC001238150531 1131174520 /nfs/dbraw/zinc/17/45/20/1131174520.db2.gz ZIDMALHGMIBMTL-QGZVFWFLSA-N 0 1 281.355 3.640 20 0 CHADMN C[C@@H]1c2cccn2CCN1Cc1cc(Cl)c(O)cc1F ZINC001238149605 1131174843 /nfs/dbraw/zinc/17/48/43/1131174843.db2.gz JAQVDQUAKMBZPA-SNVBAGLBSA-N 0 1 294.757 3.563 20 0 CHADMN COc1cccc([C@@H]2CCCCN2Cc2cncnc2C)c1 ZINC001238171006 1131176547 /nfs/dbraw/zinc/17/65/47/1131176547.db2.gz RSGBKOONCARYHN-SFHVURJKSA-N 0 1 297.402 3.521 20 0 CHADMN CC(C)c1cc(CN2C[C@H]3OC[C@@H](C)[C@H]3C2)ccc1Cl ZINC001238225479 1131184845 /nfs/dbraw/zinc/18/48/45/1131184845.db2.gz NSBPBSRQRGRYMA-SRCQZFHVSA-N 0 1 293.838 3.930 20 0 CHADMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC001238234976 1131186332 /nfs/dbraw/zinc/18/63/32/1131186332.db2.gz ZPBOJGRKUYFSMW-GFCCVEGCSA-N 0 1 299.345 3.643 20 0 CHADMN Cc1cc(Cl)c(Cl)cc1CN1CCN(C2CC2)CC1 ZINC001238256059 1131187096 /nfs/dbraw/zinc/18/70/96/1131187096.db2.gz ATBIHERTBDTSOY-UHFFFAOYSA-N 0 1 299.245 3.582 20 0 CHADMN Cc1cc(Cl)c(Cl)cc1CN1CCCC[C@H](O)C1 ZINC001238264681 1131187256 /nfs/dbraw/zinc/18/72/56/1131187256.db2.gz UDEZZAUTBYONSM-LBPRGKRZSA-N 0 1 288.218 3.649 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CCC[C@@H](F)CC1 ZINC001238317512 1131189374 /nfs/dbraw/zinc/18/93/74/1131189374.db2.gz CNTLPYSAZCZBAG-CQSZACIVSA-N 0 1 283.362 3.937 20 0 CHADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1cc(C)c(Cl)cc1F ZINC001238303886 1131189900 /nfs/dbraw/zinc/18/99/00/1131189900.db2.gz BOXIROKLNJROFK-PBWFPOADSA-N 0 1 297.801 3.929 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CCC(C)CC1 ZINC001238333818 1131190931 /nfs/dbraw/zinc/19/09/31/1131190931.db2.gz WXXHSYWEAHIBPN-UHFFFAOYSA-N 0 1 265.372 3.845 20 0 CHADMN CCC1(c2noc(-c3ccc4cncn4c3C)n2)CCCC1 ZINC001117671458 1131191990 /nfs/dbraw/zinc/19/19/90/1131191990.db2.gz IGFLUPSWZUSEMS-UHFFFAOYSA-N 0 1 296.374 3.915 20 0 CHADMN COc1cc(CN2CCC3(C2)CCCCC3)c(Cl)cn1 ZINC001238359630 1131192178 /nfs/dbraw/zinc/19/21/78/1131192178.db2.gz CFIWLMNVCZFTDN-UHFFFAOYSA-N 0 1 294.826 3.900 20 0 CHADMN CCOc1ccc(CN2CCC(CF)CC2)c(Cl)c1 ZINC001238398279 1131195999 /nfs/dbraw/zinc/19/59/99/1131195999.db2.gz APUKFDHXEIYIKO-UHFFFAOYSA-N 0 1 285.790 3.920 20 0 CHADMN CCOc1ccc(CN2CC[C@H](OC)C[C@@H]2C)c(Cl)c1 ZINC001238401650 1131196319 /nfs/dbraw/zinc/19/63/19/1131196319.db2.gz BYEUJAJEXGQKOW-JSGCOSHPSA-N 0 1 297.826 3.738 20 0 CHADMN CCOc1ccc(CN(CC)C2CC2)c(Cl)c1 ZINC001238393013 1131196416 /nfs/dbraw/zinc/19/64/16/1131196416.db2.gz BCTIPTXZFVOWJY-UHFFFAOYSA-N 0 1 253.773 3.723 20 0 CHADMN CC(C)Oc1cccc(CN2CCC(C)(F)CC2)c1F ZINC001238423426 1131198090 /nfs/dbraw/zinc/19/80/90/1131198090.db2.gz KAPXPZDYUCAJEC-UHFFFAOYSA-N 0 1 283.362 3.937 20 0 CHADMN C[NH2+]Cc1ccc(-c2c(F)ccc([O-])c2Cl)cc1 ZINC001245831531 1131198364 /nfs/dbraw/zinc/19/83/64/1131198364.db2.gz MLFFEGOBOHKJSH-UHFFFAOYSA-N 0 1 265.715 3.571 20 0 CHADMN CC(C)Oc1cccc(CN2CCC[C@H](CF)C2)c1F ZINC001238427768 1131198957 /nfs/dbraw/zinc/19/89/57/1131198957.db2.gz SVOLZQINFZNNAQ-CYBMUJFWSA-N 0 1 283.362 3.794 20 0 CHADMN CC(C)Oc1cccc(CN2CC[C@](C)(CF)C2)c1F ZINC001238425702 1131199010 /nfs/dbraw/zinc/19/90/10/1131199010.db2.gz ZXODMMXNVVUIGL-MRXNPFEDSA-N 0 1 283.362 3.794 20 0 CHADMN COC[C@@H]1CCCCN1Cc1ccc(F)c(OC(C)C)c1 ZINC001238455564 1131202565 /nfs/dbraw/zinc/20/25/65/1131202565.db2.gz ZXMOAVVUJYRTGN-HNNXBMFYSA-N 0 1 295.398 3.614 20 0 CHADMN CC(C)Oc1cncc(CN2Cc3ccccc3[C@@H](C)C2)c1 ZINC001238461342 1131203359 /nfs/dbraw/zinc/20/33/59/1131203359.db2.gz GTAGOVORFVSOSL-HNNXBMFYSA-N 0 1 296.414 3.988 20 0 CHADMN CSC1CCN(Cc2ccc(F)c(OC(C)C)c2)CC1 ZINC001238461413 1131203605 /nfs/dbraw/zinc/20/36/05/1131203605.db2.gz VTERXPGSHJUEQQ-UHFFFAOYSA-N 0 1 297.439 3.940 20 0 CHADMN CC(C)Oc1cccc(CNCc2cncn2C(C)C)c1 ZINC000818180279 1131204558 /nfs/dbraw/zinc/20/45/58/1131204558.db2.gz YYJQQJCBVQSHAT-UHFFFAOYSA-N 0 1 287.407 3.541 20 0 CHADMN CC(C)Oc1cncc(CN2CCc3ccccc3[C@@H]2C)c1 ZINC001238461292 1131204596 /nfs/dbraw/zinc/20/45/96/1131204596.db2.gz FAOCXZJNWQBYGC-HNNXBMFYSA-N 0 1 296.414 3.988 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1cc(OC(C)C)ccc1C)C2 ZINC001238479503 1131207571 /nfs/dbraw/zinc/20/75/71/1131207571.db2.gz GHJZWXNXWKJCHF-WMZOPIPTSA-N 0 1 289.419 3.536 20 0 CHADMN COc1cnc(CN2CCC[C@H](C)[C@H](C)C2)c(Cl)c1 ZINC001238484354 1131207834 /nfs/dbraw/zinc/20/78/34/1131207834.db2.gz MQXBKKRCOKVPFZ-NWDGAFQWSA-N 0 1 282.815 3.612 20 0 CHADMN CC(C)c1nc(CNc2ccc3nc[nH]c3c2)cs1 ZINC001118043102 1131208241 /nfs/dbraw/zinc/20/82/41/1131208241.db2.gz JDASKGOBWILVEK-UHFFFAOYSA-N 0 1 272.377 3.755 20 0 CHADMN CCCCOc1ncc(CN2CCC(CF)CC2)cc1C ZINC001238490024 1131208958 /nfs/dbraw/zinc/20/89/58/1131208958.db2.gz XHVORUOKDQSCAO-UHFFFAOYSA-N 0 1 294.414 3.750 20 0 CHADMN Cc1c(Cl)ccc(CN2CC[C@@H]3OCCC[C@@H]3C2)c1F ZINC001238511076 1131210100 /nfs/dbraw/zinc/21/01/00/1131210100.db2.gz CJODJTJPNOPDRT-DOMZBBRYSA-N 0 1 297.801 3.788 20 0 CHADMN Cc1c(Cl)ccc(CN2CC[C@@]3(C2)CCCOC3)c1F ZINC001238517717 1131212601 /nfs/dbraw/zinc/21/26/01/1131212601.db2.gz JSZMOTIBIPYRPK-MRXNPFEDSA-N 0 1 297.801 3.790 20 0 CHADMN CC(C)CNCc1nc(-c2ccccc2C(F)(F)F)no1 ZINC001118180451 1131213832 /nfs/dbraw/zinc/21/38/32/1131213832.db2.gz IUIJLCGSJDGKDM-UHFFFAOYSA-N 0 1 299.296 3.501 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC(C)(F)CC2)c1 ZINC001238561317 1131216070 /nfs/dbraw/zinc/21/60/70/1131216070.db2.gz SYHRVKHTZBVBJP-UHFFFAOYSA-N 0 1 255.764 3.972 20 0 CHADMN COc1cc(C)cc(F)c1CN1CCCC2(CCC2)C1 ZINC001238596859 1131219271 /nfs/dbraw/zinc/21/92/71/1131219271.db2.gz XMTVLMDREGNBIF-UHFFFAOYSA-N 0 1 277.383 3.909 20 0 CHADMN Cc1cc(CN(C)[C@H]2CCCOC2)cnc1-c1ccccc1 ZINC001238619238 1131222757 /nfs/dbraw/zinc/22/27/57/1131222757.db2.gz OZHBEOIVDSFCTR-SFHVURJKSA-N 0 1 296.414 3.668 20 0 CHADMN CN(Cc1c(F)ccc(Cl)c1F)C1CCCC1 ZINC001137883200 1131428984 /nfs/dbraw/zinc/42/89/84/1131428984.db2.gz XTFALCWMKJPDKE-UHFFFAOYSA-N 0 1 259.727 3.993 20 0 CHADMN Cc1cc(CN(C)Cc2ccccc2)cnc1C1CC1 ZINC001238615643 1131223054 /nfs/dbraw/zinc/22/30/54/1131223054.db2.gz GNJFDAKDWTWPRN-UHFFFAOYSA-N 0 1 266.388 3.899 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccncc2)cnc1C1CC1 ZINC001238618388 1131223320 /nfs/dbraw/zinc/22/33/20/1131223320.db2.gz RVPGBAJNLPDQFS-GOSISDBHSA-N 0 1 293.414 4.000 20 0 CHADMN COc1cccc(CN(C)Cc2cnc(C3CC3)c(C)c2)c1 ZINC001238616834 1131223749 /nfs/dbraw/zinc/22/37/49/1131223749.db2.gz IFWUBLIUZZFFOA-UHFFFAOYSA-N 0 1 296.414 3.908 20 0 CHADMN F[C@H]1CCN(Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001238634747 1131226358 /nfs/dbraw/zinc/22/63/58/1131226358.db2.gz LWZKCAOOMIHXBR-HNNXBMFYSA-N 0 1 290.769 3.946 20 0 CHADMN Fc1ncc(-c2ccccc2)cc1CN1C[C@H]2CC[C@@H]1C2 ZINC001238664219 1131227357 /nfs/dbraw/zinc/22/73/57/1131227357.db2.gz QEUQVWWXXMWCHV-SUMWQHHRSA-N 0 1 282.362 3.872 20 0 CHADMN Cc1cc(OC(C)C)cc(C)c1CN1C[C@H](C)O[C@@H](C)C1 ZINC001238664186 1131227387 /nfs/dbraw/zinc/22/73/87/1131227387.db2.gz GZYRGYXDDJIJQC-HOTGVXAUSA-N 0 1 291.435 3.700 20 0 CHADMN CC[C@@H]1COCCN1Cc1c(C)cc(OC(C)C)cc1C ZINC001238663890 1131227540 /nfs/dbraw/zinc/22/75/40/1131227540.db2.gz FMGKBCHGDIOGPJ-MRXNPFEDSA-N 0 1 291.435 3.701 20 0 CHADMN COc1ccnc(NCc2cccc3sccc32)c1 ZINC001160185488 1131415930 /nfs/dbraw/zinc/41/59/30/1131415930.db2.gz JRECQMBDMLPTSR-UHFFFAOYSA-N 0 1 270.357 3.917 20 0 CHADMN CC[C@H](C)N(C)Cc1ccc(C)cc1Br ZINC001137803953 1131417711 /nfs/dbraw/zinc/41/77/11/1131417711.db2.gz GDECLVTVWWHKFI-NSHDSACASA-N 0 1 270.214 3.988 20 0 CHADMN C[C@@H]1CCCN(Cc2scnc2Cl)C[C@@H]1C ZINC001137817420 1131419656 /nfs/dbraw/zinc/41/96/56/1131419656.db2.gz SOIRXELKKKORSV-ZJUUUORDSA-N 0 1 258.818 3.665 20 0 CHADMN Fc1cccc(C2CCN(Cc3ccncc3F)CC2)c1 ZINC000823448121 1131427007 /nfs/dbraw/zinc/42/70/07/1131427007.db2.gz SYCQQZFQZYPICH-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN Fc1c(CN2CCC[C@H]3CCC[C@H]32)ccnc1Cl ZINC000823419309 1131428139 /nfs/dbraw/zinc/42/81/39/1131428139.db2.gz XYKSTQQIFKRYRB-ZYHUDNBSSA-N 0 1 268.763 3.639 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC001137894375 1131430673 /nfs/dbraw/zinc/43/06/73/1131430673.db2.gz SGZCFFIPILKEOM-ARFHVFGLSA-N 0 1 282.472 3.534 20 0 CHADMN CCCCCC[C@](C)(CC)C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC001137894407 1131431264 /nfs/dbraw/zinc/43/12/64/1131431264.db2.gz SUZHSKPECAPCMN-RYRKJORJSA-N 0 1 296.499 3.924 20 0 CHADMN COc1ccc(Br)c(CN2CCCC23CC3)c1 ZINC001137904010 1131431743 /nfs/dbraw/zinc/43/17/43/1131431743.db2.gz HCPLYLIHXATIBB-UHFFFAOYSA-N 0 1 296.208 3.586 20 0 CHADMN CCc1ccc(CNCc2ccnc(Cl)c2F)s1 ZINC000823654109 1131436316 /nfs/dbraw/zinc/43/63/16/1131436316.db2.gz NBJXEDPKQSLOOS-UHFFFAOYSA-N 0 1 284.787 3.788 20 0 CHADMN Fc1ccc(F)c(CN(C2CCC2)C2CCOCC2)c1F ZINC001137934670 1131438345 /nfs/dbraw/zinc/43/83/45/1131438345.db2.gz HZTNDQKZLTUCIN-UHFFFAOYSA-N 0 1 299.336 3.637 20 0 CHADMN C[C@H]1CCCCN(Cc2ccc(F)c(F)c2F)C1 ZINC001137934548 1131438480 /nfs/dbraw/zinc/43/84/80/1131438480.db2.gz BWECFLRUDPVJRH-JTQLQIEISA-N 0 1 257.299 3.726 20 0 CHADMN CCC[C@H](N[C@@H](CC(C)C)C(=O)OCC)C1CCC1 ZINC001171036231 1131446101 /nfs/dbraw/zinc/44/61/01/1131446101.db2.gz NNKBTNWLAVQNDN-GJZGRUSLSA-N 0 1 269.429 3.523 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N(C)Cc1cn[nH]c1C ZINC000824050367 1131452178 /nfs/dbraw/zinc/45/21/78/1131452178.db2.gz CKLLSWYLNNCDEF-AWEZNQCLSA-N 0 1 279.428 3.673 20 0 CHADMN C[C@H](N[C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccc[nH]1 ZINC000824051165 1131452243 /nfs/dbraw/zinc/45/22/43/1131452243.db2.gz SQZUFSDVNVJZTN-QPUJVOFHSA-N 0 1 280.293 3.770 20 0 CHADMN Cn1nc(C2CC2)cc1CN[C@H]1CCCc2ccc(F)cc21 ZINC000824074603 1131454312 /nfs/dbraw/zinc/45/43/12/1131454312.db2.gz VNJQKSVJWJUSQB-KRWDZBQOSA-N 0 1 299.393 3.604 20 0 CHADMN Cc1ccc(Cl)c(CN2CC[C@H]3OCCC[C@@H]3C2)c1F ZINC001138030999 1131455439 /nfs/dbraw/zinc/45/54/39/1131455439.db2.gz ZZBONUDEVRHKPT-IUODEOHRSA-N 0 1 297.801 3.788 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1cc(F)ncc1F ZINC000824162764 1131456975 /nfs/dbraw/zinc/45/69/75/1131456975.db2.gz ZYEVXQCJMFUDLE-GFCCVEGCSA-N 0 1 254.324 3.514 20 0 CHADMN CCCN(CCc1cccs1)Cc1cc(F)ncc1F ZINC000824177089 1131457808 /nfs/dbraw/zinc/45/78/08/1131457808.db2.gz UQSXXGHGUDWVOY-UHFFFAOYSA-N 0 1 296.386 3.876 20 0 CHADMN FC1(F)C[C@@H]2CN(Cc3cc4c(cccc4Cl)[nH]3)C[C@@H]21 ZINC001136858739 1131463695 /nfs/dbraw/zinc/46/36/95/1131463695.db2.gz XNINGOWFLRZAQD-SKDRFNHKSA-N 0 1 296.748 3.908 20 0 CHADMN CCOc1cccc(CN2CCCC[C@](C)(F)C2)c1 ZINC001138095935 1131464739 /nfs/dbraw/zinc/46/47/39/1131464739.db2.gz LYBHLJJWAIEQHR-INIZCTEOSA-N 0 1 265.372 3.799 20 0 CHADMN CO[C@@H]1CCN(Cc2cc3c(cccc3Cl)[nH]2)[C@H](C)C1 ZINC001136864868 1131465386 /nfs/dbraw/zinc/46/53/86/1131465386.db2.gz LCGUNCBIKDZTJM-DGCLKSJQSA-N 0 1 292.810 3.821 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@H](F)CC2)c1F ZINC001138114893 1131467626 /nfs/dbraw/zinc/46/76/26/1131467626.db2.gz PBMIQXAMIBNOGZ-NSHDSACASA-N 0 1 257.299 3.597 20 0 CHADMN CC(C)[C@H]1CN([C@H]2CCc3c(Cl)cccc3C2)CCO1 ZINC001171056955 1131471068 /nfs/dbraw/zinc/47/10/68/1131471068.db2.gz QFFLDEUICHQRTO-WMLDXEAASA-N 0 1 293.838 3.554 20 0 CHADMN Oc1ccc(Br)c(CN2CCC3(CC3)CC2)c1 ZINC001138142517 1131471806 /nfs/dbraw/zinc/47/18/06/1131471806.db2.gz BURHNBHNCPOCMN-UHFFFAOYSA-N 0 1 296.208 3.531 20 0 CHADMN CN(Cc1cc2c(cc1Cl)OCO2)CC(C)(C)C ZINC001138244119 1131481263 /nfs/dbraw/zinc/48/12/63/1131481263.db2.gz XLDSGJQYASTBNH-UHFFFAOYSA-N 0 1 269.772 3.547 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NC(=O)O[C@@H](C)CC(C)C)n[nH]1 ZINC000831260750 1131481285 /nfs/dbraw/zinc/48/12/85/1131481285.db2.gz VNBZMRXPRQOBLS-SRVKXCTJSA-N 0 1 296.415 3.540 20 0 CHADMN Cc1nc([C@@H](C)NC[C@]2(C)CC2(Cl)Cl)c(C)s1 ZINC000824765281 1131482596 /nfs/dbraw/zinc/48/25/96/1131482596.db2.gz JCXRIFMOERLQMP-HQJQHLMTSA-N 0 1 293.263 3.994 20 0 CHADMN FC(F)COc1ccc(CN2CCCC[C@@H](F)C2)cc1 ZINC001136935730 1131484044 /nfs/dbraw/zinc/48/40/44/1131484044.db2.gz QDQUYEIJMBJCBI-CYBMUJFWSA-N 0 1 287.325 3.655 20 0 CHADMN FC(F)COc1ccc(CN2CCCC[C@H](F)C2)cc1 ZINC001136935731 1131484394 /nfs/dbraw/zinc/48/43/94/1131484394.db2.gz QDQUYEIJMBJCBI-ZDUSSCGKSA-N 0 1 287.325 3.655 20 0 CHADMN Cc1ccc2c(CN3CC[C@@](C)(F)[C@@H](F)C3)c[nH]c2c1 ZINC001136969218 1131488835 /nfs/dbraw/zinc/48/88/35/1131488835.db2.gz IJRDEEYENJINMR-JKSUJKDBSA-N 0 1 278.346 3.748 20 0 CHADMN Cc1cccn2c(CN3CCC[C@H]4CCCC[C@@H]43)cnc12 ZINC001136964435 1131489352 /nfs/dbraw/zinc/48/93/52/1131489352.db2.gz QWKFQNQBARJKGV-WBVHZDCISA-N 0 1 283.419 3.797 20 0 CHADMN Brc1ccoc1CN1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000824941047 1131490719 /nfs/dbraw/zinc/49/07/19/1131490719.db2.gz HVMLLGGFMPODEY-SMDDNHRTSA-N 0 1 296.208 3.663 20 0 CHADMN Cc1ccc2c(CN3CCc4occc4C3)c[nH]c2c1 ZINC001136975238 1131490905 /nfs/dbraw/zinc/49/09/05/1131490905.db2.gz BQDRSWSWNUEECX-UHFFFAOYSA-N 0 1 266.344 3.628 20 0 CHADMN C[C@@H]1CN(Cc2c[nH]c3cccc(F)c23)CCC1(F)F ZINC001136978946 1131495216 /nfs/dbraw/zinc/49/52/16/1131495216.db2.gz AGKWSCAXYCMUIQ-SNVBAGLBSA-N 0 1 282.309 3.784 20 0 CHADMN Cn1c2ccccc2nc1CN1CC[C@H]2CCCC[C@H]2C1 ZINC001138379349 1131495981 /nfs/dbraw/zinc/49/59/81/1131495981.db2.gz URKKOMWKCBOAGP-CABCVRRESA-N 0 1 283.419 3.585 20 0 CHADMN CCc1nc(CN[C@@H](C)CCc2ccc(F)cc2F)co1 ZINC000825061890 1131497075 /nfs/dbraw/zinc/49/70/75/1131497075.db2.gz LPSVXCSWRQORKR-NSHDSACASA-N 0 1 294.345 3.626 20 0 CHADMN C[C@H]1CCCC[C@@H]1C[N@@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000825152617 1131498839 /nfs/dbraw/zinc/49/88/39/1131498839.db2.gz ADAUCCGNOILCMJ-QWHCGFSZSA-N 0 1 296.480 3.629 20 0 CHADMN C[C@H]1CCCC[C@@H]1CN(C)Cc1csc(C(C)(C)O)n1 ZINC000825152617 1131498842 /nfs/dbraw/zinc/49/88/42/1131498842.db2.gz ADAUCCGNOILCMJ-QWHCGFSZSA-N 0 1 296.480 3.629 20 0 CHADMN CCc1ccc(CN(C)Cc2cncc(Cl)c2)cc1 ZINC001136996352 1131500689 /nfs/dbraw/zinc/50/06/89/1131500689.db2.gz CTNZAJVDPGVTPI-UHFFFAOYSA-N 0 1 274.795 3.929 20 0 CHADMN Cc1c2cc(F)ccc2[nH]c1CN(C)Cc1ccc(C)nc1 ZINC001138414421 1131501364 /nfs/dbraw/zinc/50/13/64/1131501364.db2.gz BHMZRIMVYATJGI-UHFFFAOYSA-N 0 1 297.377 3.951 20 0 CHADMN Fc1ccc([C@H]2CCCN2C[C@H]2CCC=CO2)c(F)c1 ZINC000825214924 1131502738 /nfs/dbraw/zinc/50/27/38/1131502738.db2.gz BDSLATPKGBIYQO-CZUORRHYSA-N 0 1 279.330 3.794 20 0 CHADMN COc1cc(C)c(CN2CCCC[C@@](C)(F)C2)cc1OC ZINC001138435383 1131504946 /nfs/dbraw/zinc/50/49/46/1131504946.db2.gz GIUJIQMSGBMIQZ-QGZVFWFLSA-N 0 1 295.398 3.726 20 0 CHADMN CCC[C@H]1CCCCN1Cc1ncc(C(F)(F)F)[nH]1 ZINC001137015890 1131505212 /nfs/dbraw/zinc/50/52/12/1131505212.db2.gz AWYUACAUECDTIG-JTQLQIEISA-N 0 1 275.318 3.583 20 0 CHADMN Cc1c2ccccc2sc1CN1CCOC(C)(C)C1 ZINC001138459242 1131508408 /nfs/dbraw/zinc/50/84/08/1131508408.db2.gz QLFYWXXHADQLGZ-UHFFFAOYSA-N 0 1 275.417 3.821 20 0 CHADMN Cc1c2ccccc2sc1CN1CCCC(=O)CC1 ZINC001138461662 1131508832 /nfs/dbraw/zinc/50/88/32/1131508832.db2.gz GCKFSQFFRRYDOC-UHFFFAOYSA-N 0 1 273.401 3.765 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2ccc3c(c2)COC3)cn1 ZINC001137028626 1131509191 /nfs/dbraw/zinc/50/91/91/1131509191.db2.gz WQOVMSRQXQTQRF-IBGZPJMESA-N 0 1 294.398 3.757 20 0 CHADMN Cc1c2ccccc2sc1CN(C)Cc1ccno1 ZINC001138464646 1131509280 /nfs/dbraw/zinc/50/92/80/1131509280.db2.gz YIGUQYSJKCDQPY-UHFFFAOYSA-N 0 1 272.373 3.830 20 0 CHADMN Cc1c2ccccc2sc1CN(C)Cc1cnc(C)nc1 ZINC001138464680 1131509358 /nfs/dbraw/zinc/50/93/58/1131509358.db2.gz YVCBAIASKJGQLT-UHFFFAOYSA-N 0 1 297.427 3.940 20 0 CHADMN COc1ccc(C)cc1CN1CCCC[C@](C)(F)C1 ZINC001138485541 1131511384 /nfs/dbraw/zinc/51/13/84/1131511384.db2.gz ZXIPSXWZMBXFGY-INIZCTEOSA-N 0 1 265.372 3.718 20 0 CHADMN CC(C)[C@H]1CCC[C@H](NC(=O)c2n[nH]c3ccccc32)CC1 ZINC001138506718 1131513223 /nfs/dbraw/zinc/51/32/23/1131513223.db2.gz ADXRVRQYUNKURA-KBPBESRZSA-N 0 1 299.418 3.898 20 0 CHADMN COc1ccc2[nH]cc(CN3CCCCC34CC4)c2c1 ZINC001138509326 1131514270 /nfs/dbraw/zinc/51/42/70/1131514270.db2.gz AUOJIFSYFHEBHM-UHFFFAOYSA-N 0 1 270.376 3.695 20 0 CHADMN CCC/C=C\C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831879903 1131517631 /nfs/dbraw/zinc/51/76/31/1131517631.db2.gz PPLGRBJBRXHMGD-DEBLGDTFSA-N 0 1 289.423 3.595 20 0 CHADMN Cc1ccc(Nc2cc3[nH]ncc3c(F)c2)c(N)c1C ZINC001160383252 1131519681 /nfs/dbraw/zinc/51/96/81/1131519681.db2.gz MMCQTMOVUQCEKN-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCN1C(C)(C)C ZINC001143641271 1131520506 /nfs/dbraw/zinc/52/05/06/1131520506.db2.gz JBIUMQHDJXMJBZ-HRCADAONSA-N 0 1 294.483 3.580 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCN1C(C)(C)C ZINC001143641274 1131520596 /nfs/dbraw/zinc/52/05/96/1131520596.db2.gz JBIUMQHDJXMJBZ-XHSDSOJGSA-N 0 1 294.483 3.580 20 0 CHADMN Cc1cc(CN2CCC(=O)[C@H]3CCCC[C@H]32)c(C)s1 ZINC001138567316 1131522877 /nfs/dbraw/zinc/52/28/77/1131522877.db2.gz APARWALOFPIQJS-LSDHHAIUSA-N 0 1 277.433 3.699 20 0 CHADMN COC1CCN(Cc2cc(C)ccc2C(F)(F)F)CC1 ZINC001143671268 1131523053 /nfs/dbraw/zinc/52/30/53/1131523053.db2.gz YJVFKUQLHCPOCT-UHFFFAOYSA-N 0 1 287.325 3.625 20 0 CHADMN CCOc1c(F)cc(CN2CCC[C@H]2C)cc1Cl ZINC001143734508 1131526388 /nfs/dbraw/zinc/52/63/88/1131526388.db2.gz QNLCTYOBNDPPLB-SNVBAGLBSA-N 0 1 271.763 3.862 20 0 CHADMN COc1cccc(CN(C)Cc2cc(F)cc(F)c2C)c1 ZINC001143763943 1131529292 /nfs/dbraw/zinc/52/92/92/1131529292.db2.gz GMMJBPLSYOWCET-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN CN(Cc1cccn1-c1ccccc1F)C1CC(F)(F)C1 ZINC001138631749 1131529989 /nfs/dbraw/zinc/52/99/89/1131529989.db2.gz ANIKPYRUHIGMDZ-UHFFFAOYSA-N 0 1 294.320 3.846 20 0 CHADMN Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001143767680 1131530417 /nfs/dbraw/zinc/53/04/17/1131530417.db2.gz HNKDAEIJHIHALX-SNVBAGLBSA-N 0 1 275.289 3.750 20 0 CHADMN Cc1c(F)cc(F)cc1CN1CCC[C@@H](C(F)F)C1 ZINC001143767680 1131530419 /nfs/dbraw/zinc/53/04/19/1131530419.db2.gz HNKDAEIJHIHALX-SNVBAGLBSA-N 0 1 275.289 3.750 20 0 CHADMN CCn1nc(C)c(CN2CCC[C@H]2c2ccc(C)nc2)c1C ZINC001138646069 1131531718 /nfs/dbraw/zinc/53/17/18/1131531718.db2.gz IRDLULYAEJJDTC-SFHVURJKSA-N 0 1 298.434 3.560 20 0 CHADMN CCN(Cc1c(C)nn(CC)c1C)Cc1ccc(F)cc1 ZINC001138646896 1131531921 /nfs/dbraw/zinc/53/19/21/1131531921.db2.gz XSWXXFLPRNBRCE-UHFFFAOYSA-N 0 1 289.398 3.681 20 0 CHADMN C/C=C(\C)C(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001143943608 1131556754 /nfs/dbraw/zinc/55/67/54/1131556754.db2.gz AUTNWUFXSZXHRV-ZZXKWVIFSA-N 0 1 260.120 3.604 20 0 CHADMN FC1CCN(Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001138685990 1131537209 /nfs/dbraw/zinc/53/72/09/1131537209.db2.gz LHBDYHABHCYJIG-UHFFFAOYSA-N 0 1 266.747 3.755 20 0 CHADMN Cc1cccc(Cl)c1C[N@H+]1CCC[C@H](CF)C1 ZINC001138719663 1131541181 /nfs/dbraw/zinc/54/11/81/1131541181.db2.gz CMMQCLRZXVBMGA-GFCCVEGCSA-N 0 1 255.764 3.830 20 0 CHADMN COc1cc(C)c(CN2CC[C@](C)(F)[C@@H](F)C2)c(C)c1C ZINC001138725590 1131542496 /nfs/dbraw/zinc/54/24/96/1131542496.db2.gz KQMMFSMWDMPQDH-IRXDYDNUSA-N 0 1 297.389 3.892 20 0 CHADMN COc1cc(Cl)cc(CN2CCC[C@@H](C)C2)c1OC ZINC001138744445 1131544977 /nfs/dbraw/zinc/54/49/77/1131544977.db2.gz VTZMPEWSBXURJN-LLVKDONJSA-N 0 1 283.799 3.589 20 0 CHADMN CC[C@@H]1CCN(Cc2c(Cl)ccc(OC)c2F)C1 ZINC001143902500 1131550016 /nfs/dbraw/zinc/55/00/16/1131550016.db2.gz FEHIOCITHHXOQK-SNVBAGLBSA-N 0 1 271.763 3.720 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cccc2ccnn21 ZINC001138807751 1131551120 /nfs/dbraw/zinc/55/11/20/1131551120.db2.gz VDRODYRIGZPPAL-IBGZPJMESA-N 0 1 291.398 3.844 20 0 CHADMN C[C@@H]1CCN(Cc2ccnc(Cl)c2)CCC1(F)F ZINC001138816572 1131552880 /nfs/dbraw/zinc/55/28/80/1131552880.db2.gz YTZYOXDOSSNXRO-SNVBAGLBSA-N 0 1 274.742 3.602 20 0 CHADMN Cc1c(CN2CC[C@]3(CCCO3)C2)cccc1C(F)(F)F ZINC001143923488 1131555201 /nfs/dbraw/zinc/55/52/01/1131555201.db2.gz YTQVGVDONFMMRG-OAHLLOKOSA-N 0 1 299.336 3.769 20 0 CHADMN Cc1c(CN2CC3(C2)CCOCC3)cccc1C(F)(F)F ZINC001143924932 1131555731 /nfs/dbraw/zinc/55/57/31/1131555731.db2.gz SQYFCKLKMJBJKW-UHFFFAOYSA-N 0 1 299.336 3.626 20 0 CHADMN CC(C)c1nc(CN2CC[C@H]3CCC[C@@H]3C2)cs1 ZINC001138883529 1131556492 /nfs/dbraw/zinc/55/64/92/1131556492.db2.gz PVMGVCVODWBEGM-CHWSQXEVSA-N 0 1 264.438 3.889 20 0 CHADMN CCOc1ccc(F)c(CN2C[C@H](C)C[C@@H](C)C2)c1F ZINC001143943267 1131557138 /nfs/dbraw/zinc/55/71/38/1131557138.db2.gz VJANDUBSIWOYOJ-VXGBXAGGSA-N 0 1 283.362 3.841 20 0 CHADMN CC[C@@H]1CC[C@H](C)N(Cc2ncc(C(C)C)o2)C1 ZINC000832468247 1131560103 /nfs/dbraw/zinc/56/01/03/1131560103.db2.gz HGRGVCJAYIEUTD-QWHCGFSZSA-N 0 1 250.386 3.809 20 0 CHADMN FC(F)C1CCN(Cc2c3cc[nH]c3ncc2Cl)CC1 ZINC001138952847 1131564002 /nfs/dbraw/zinc/56/40/02/1131564002.db2.gz XDYMTUXSNPFGSL-UHFFFAOYSA-N 0 1 299.752 3.645 20 0 CHADMN COc1ccc(F)c(CN2CC[C@H]3CCCC[C@H]3C2)c1F ZINC001143978116 1131564610 /nfs/dbraw/zinc/56/46/10/1131564610.db2.gz PSQSYZIEUPYHOA-OLZOCXBDSA-N 0 1 295.373 3.986 20 0 CHADMN CCCCOc1cccc(CN2CC(c3cccnc3)C2)c1 ZINC001138955161 1131565166 /nfs/dbraw/zinc/56/51/66/1131565166.db2.gz GKBZASAITQIQSO-UHFFFAOYSA-N 0 1 296.414 3.860 20 0 CHADMN CCC(=O)Oc1ccc(CN2CCCC[C@](C)(F)C2)cc1 ZINC001138962505 1131566707 /nfs/dbraw/zinc/56/67/07/1131566707.db2.gz PTCJZTSYBDLALJ-KRWDZBQOSA-N 0 1 293.382 3.716 20 0 CHADMN CCc1cccc(NC(=O)Nc2ccc(F)c(F)c2O)c1 ZINC001202885621 1131571107 /nfs/dbraw/zinc/57/11/07/1131571107.db2.gz DZMRRJVDMXGMPP-UHFFFAOYSA-N 0 1 292.285 3.877 20 0 CHADMN CCCC[C@H](CC)CC(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC001144024698 1131573073 /nfs/dbraw/zinc/57/30/73/1131573073.db2.gz NETRVUMOWNFQRM-JKSUJKDBSA-N 0 1 296.499 3.782 20 0 CHADMN CCCC[C@H](CC)CC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC001144024698 1131573074 /nfs/dbraw/zinc/57/30/74/1131573074.db2.gz NETRVUMOWNFQRM-JKSUJKDBSA-N 0 1 296.499 3.782 20 0 CHADMN CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H](C(C)(C)C)C1 ZINC001139049867 1131575495 /nfs/dbraw/zinc/57/54/95/1131575495.db2.gz LHCXNTVSNOTKRD-INIZCTEOSA-N 0 1 296.499 3.783 20 0 CHADMN c1ccc(Oc2ccccc2CN2CC[C@]23CCOC3)cc1 ZINC001139055798 1131576532 /nfs/dbraw/zinc/57/65/32/1131576532.db2.gz OMCZQADODXSDBV-LJQANCHMSA-N 0 1 295.382 3.844 20 0 CHADMN CC1CN(Cc2ccccc2Oc2ccccc2)C1 ZINC001139053598 1131576579 /nfs/dbraw/zinc/57/65/79/1131576579.db2.gz RBVIYRYBFHZXRD-UHFFFAOYSA-N 0 1 253.345 3.931 20 0 CHADMN C[C@H](NCc1nnc(C(C)(C)C)o1)[C@@H]1CCC[C@@H](C)C1 ZINC000832691243 1131577281 /nfs/dbraw/zinc/57/72/81/1131577281.db2.gz ODKCXOQOBMSVCZ-FRRDWIJNSA-N 0 1 279.428 3.672 20 0 CHADMN COCC1CN(Cc2cccc(Oc3ccc(C)cc3)c2)C1 ZINC001144086059 1131579862 /nfs/dbraw/zinc/57/98/62/1131579862.db2.gz KWGQHPQMHJCXGM-UHFFFAOYSA-N 0 1 297.398 3.866 20 0 CHADMN CC(C)(C)C[C@@H]1CCN(Cc2nnc(C(C)(C)C)o2)C1 ZINC000832726641 1131581192 /nfs/dbraw/zinc/58/11/92/1131581192.db2.gz BYRPDQKWBRCPOH-LBPRGKRZSA-N 0 1 279.428 3.625 20 0 CHADMN CCn1ccc2ccc(CN3CCOC[C@H]3C(C)C)cc21 ZINC001139124172 1131584354 /nfs/dbraw/zinc/58/43/54/1131584354.db2.gz JLAAVRUPTCOFBU-SFHVURJKSA-N 0 1 286.419 3.518 20 0 CHADMN F[C@]1(c2ccccc2)C[C@@H]1NCc1cccc2[nH]ccc21 ZINC001202900724 1131585576 /nfs/dbraw/zinc/58/55/76/1131585576.db2.gz BVDHFYZUFCMCAQ-ROUUACIJSA-N 0 1 280.346 3.895 20 0 CHADMN C[C@H]1c2cccn2CCN1Cc1cccc2c1ccn2C ZINC001139162340 1131588835 /nfs/dbraw/zinc/58/88/35/1131588835.db2.gz QPBXBHWBHUYRNC-AWEZNQCLSA-N 0 1 279.387 3.557 20 0 CHADMN CCc1cc(CN2CC3(C2)CC(F)(F)C3)cc(CC)c1O ZINC001144137524 1131589448 /nfs/dbraw/zinc/58/94/48/1131589448.db2.gz JNQJWOLGBFVINO-UHFFFAOYSA-N 0 1 295.373 3.748 20 0 CHADMN Cc1cccc([C@H]2CCCN2CN2C(=O)CC23CCCC3)c1 ZINC000844689088 1131592088 /nfs/dbraw/zinc/59/20/88/1131592088.db2.gz SELKERORYLSEBB-QGZVFWFLSA-N 0 1 298.430 3.635 20 0 CHADMN Cn1ccc2cc(CN3CCC(=O)[C@H]4CCCC[C@H]43)ccc21 ZINC001139188961 1131592951 /nfs/dbraw/zinc/59/29/51/1131592951.db2.gz TXDHJLBDMHYVMS-FUHWJXTLSA-N 0 1 296.414 3.512 20 0 CHADMN Cn1ccc2ccc(CN3CCC[C@@](C)(F)C3)cc21 ZINC001139201068 1131596663 /nfs/dbraw/zinc/59/66/63/1131596663.db2.gz IVXKICYPMZCJSF-MRXNPFEDSA-N 0 1 260.356 3.502 20 0 CHADMN c1cc(C[N@H+]2CCC23CCCCC3)cc2nsnc12 ZINC001139209810 1131597041 /nfs/dbraw/zinc/59/70/41/1131597041.db2.gz AMZCJAQFSQDILD-UHFFFAOYSA-N 0 1 273.405 3.600 20 0 CHADMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc2nsnc2c1 ZINC001139207447 1131597963 /nfs/dbraw/zinc/59/79/63/1131597963.db2.gz BFQYPSZQLNFSJK-GFCCVEGCSA-N 0 1 295.411 3.811 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1ccc2nsnc2c1 ZINC001139207447 1131597967 /nfs/dbraw/zinc/59/79/67/1131597967.db2.gz BFQYPSZQLNFSJK-GFCCVEGCSA-N 0 1 295.411 3.811 20 0 CHADMN Oc1ccc(C[N@H+]2CCC[C@@H](CCc3ccccc3)C2)nc1 ZINC001144264561 1131607460 /nfs/dbraw/zinc/60/74/60/1131607460.db2.gz WSGWQCKYKOPQRL-KRWDZBQOSA-N 0 1 296.414 3.632 20 0 CHADMN Cc1cc(CN2CC[C@H](C)C(F)(F)CC2)cnc1Cl ZINC001139541219 1131614627 /nfs/dbraw/zinc/61/46/27/1131614627.db2.gz OPPDWRBGQRBTIB-NSHDSACASA-N 0 1 288.769 3.911 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cccc(Cl)n1 ZINC001139552315 1131615442 /nfs/dbraw/zinc/61/54/42/1131615442.db2.gz UORLTBOCNGSRFS-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN Fc1cccc2nc(CN3CCC[C@H]4CCCC[C@@H]43)cn21 ZINC001139570588 1131617340 /nfs/dbraw/zinc/61/73/40/1131617340.db2.gz XWMZIMIWUYJTDA-HIFRSBDPSA-N 0 1 287.382 3.628 20 0 CHADMN Fc1cccc2nc(CN3CCC[C@H]4CCCC[C@H]43)cn21 ZINC001139570591 1131617571 /nfs/dbraw/zinc/61/75/71/1131617571.db2.gz XWMZIMIWUYJTDA-UKRRQHHQSA-N 0 1 287.382 3.628 20 0 CHADMN CCc1cccc(CN2CCC(=O)[C@H]3CCCC[C@H]32)c1 ZINC001144318855 1131617635 /nfs/dbraw/zinc/61/76/35/1131617635.db2.gz MOCITPVIPBIANY-DLBZAZTESA-N 0 1 271.404 3.583 20 0 CHADMN CCOc1ccc(C)cc1CN1CCCC[C@@H](F)C1 ZINC001139600000 1131620317 /nfs/dbraw/zinc/62/03/17/1131620317.db2.gz LDJJNJRHBSGNON-OAHLLOKOSA-N 0 1 265.372 3.718 20 0 CHADMN Cc1nc(CN2CC[C@H](C)C(F)(F)CC2)sc1C ZINC001144359745 1131620359 /nfs/dbraw/zinc/62/03/59/1131620359.db2.gz NYJVNJMWQDNHHT-VIFPVBQESA-N 0 1 274.380 3.627 20 0 CHADMN CCOc1ccc(CN2CC[C@H](OC)C[C@H]2C)cc1Cl ZINC001139598707 1131620898 /nfs/dbraw/zinc/62/08/98/1131620898.db2.gz WCKCVDDMEHBAAE-OCCSQVGLSA-N 0 1 297.826 3.738 20 0 CHADMN CCOc1ccc(C)cc1CN1C[C@@H](C)C[C@H]1CF ZINC001139600808 1131621014 /nfs/dbraw/zinc/62/10/14/1131621014.db2.gz UHIBHLDTHNKFMX-ZFWWWQNUSA-N 0 1 265.372 3.574 20 0 CHADMN CCOc1ccc(CN(C)C2CC(F)(F)C2)cc1CC ZINC001139618813 1131623306 /nfs/dbraw/zinc/62/33/06/1131623306.db2.gz MMTJCQLORBKGKK-UHFFFAOYSA-N 0 1 283.362 3.877 20 0 CHADMN CCOc1ccncc1CN(C)[C@@H]1CCc2ccccc21 ZINC001139631863 1131624477 /nfs/dbraw/zinc/62/44/77/1131624477.db2.gz HWAZVOYIJXIVKN-QGZVFWFLSA-N 0 1 282.387 3.600 20 0 CHADMN C[C@H]1CN(Cc2ccnc(Cl)c2F)CCC[C@@H]1C ZINC001139660961 1131626860 /nfs/dbraw/zinc/62/68/60/1131626860.db2.gz JNECSKWFPJZYMZ-QWRGUYRKSA-N 0 1 270.779 3.742 20 0 CHADMN CC[N@@H+](Cc1c(C)nc2cc(C)ccn21)Cc1ccccc1 ZINC001139674501 1131628038 /nfs/dbraw/zinc/62/80/38/1131628038.db2.gz TVYRBCOAOUTXJW-UHFFFAOYSA-N 0 1 293.414 3.973 20 0 CHADMN Clc1ccc2c(CN3Cc4ccccc4C3)c[nH]c2n1 ZINC001144406115 1131628605 /nfs/dbraw/zinc/62/86/05/1131628605.db2.gz SCGBBFNSYLKQPB-UHFFFAOYSA-N 0 1 283.762 3.732 20 0 CHADMN Cc1cc(O)cc(C)c1C[N@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001139712753 1131631372 /nfs/dbraw/zinc/63/13/72/1131631372.db2.gz WVDKWXSYENXKJM-AWEZNQCLSA-N 0 1 287.325 3.578 20 0 CHADMN Cc1cc(O)cc(C)c1CN1CCCC(F)(F)[C@@H](F)C1 ZINC001139712753 1131631373 /nfs/dbraw/zinc/63/13/73/1131631373.db2.gz WVDKWXSYENXKJM-AWEZNQCLSA-N 0 1 287.325 3.578 20 0 CHADMN c1cnc2cc(CN3C4CCCC3CCC4)cnc2c1 ZINC001139743472 1131633965 /nfs/dbraw/zinc/63/39/65/1131633965.db2.gz HMISFODMWZCBGJ-UHFFFAOYSA-N 0 1 267.376 3.537 20 0 CHADMN COc1ncc(Cl)cc1CN1CCC[C@H](C)[C@H](C)C1 ZINC001139744783 1131634921 /nfs/dbraw/zinc/63/49/21/1131634921.db2.gz SLDZKVPPTBXWGW-NWDGAFQWSA-N 0 1 282.815 3.612 20 0 CHADMN CCN(Cc1c(F)cccc1Cl)CC1(CC)COC1 ZINC001202964712 1131634936 /nfs/dbraw/zinc/63/49/36/1131634936.db2.gz PGGROWIEQVDWBM-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN Cc1ccc(CN(C)Cc2ccccc2C(F)F)cn1 ZINC001139802285 1131638169 /nfs/dbraw/zinc/63/81/69/1131638169.db2.gz NGKMHJQVPQNPMT-UHFFFAOYSA-N 0 1 276.330 3.960 20 0 CHADMN COc1ncc(CN2CCC[C@@H]2c2ccccc2C)s1 ZINC001139812732 1131638528 /nfs/dbraw/zinc/63/85/28/1131638528.db2.gz AHYRBWFPMRWBFY-OAHLLOKOSA-N 0 1 288.416 3.797 20 0 CHADMN CN(CCc1cccc(F)c1)Cc1ccncc1Cl ZINC001139849240 1131641671 /nfs/dbraw/zinc/64/16/71/1131641671.db2.gz BDEKQJRJYWBHIR-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN C[C@H]1COCCN1Cc1cccc2c3ccccc3oc21 ZINC001139857337 1131641743 /nfs/dbraw/zinc/64/17/43/1131641743.db2.gz IPXZRUYXEYYQAD-ZDUSSCGKSA-N 0 1 281.355 3.807 20 0 CHADMN Cn1c(CN2CCCC[C@](C)(F)C2)cc2ccccc21 ZINC001139868841 1131642775 /nfs/dbraw/zinc/64/27/75/1131642775.db2.gz YXXPMRCPSDJLTH-KRWDZBQOSA-N 0 1 274.383 3.892 20 0 CHADMN Cn1c(CN2CCC[C@@H]3CCC[C@H]32)cc2ccccc21 ZINC001139871620 1131643542 /nfs/dbraw/zinc/64/35/42/1131643542.db2.gz IMKQWBYXASBTNF-KBXCAEBGSA-N 0 1 268.404 3.943 20 0 CHADMN CCOCC1CCN(Cc2cc(Cl)cc(OC)c2)CC1 ZINC001144488037 1131644707 /nfs/dbraw/zinc/64/47/07/1131644707.db2.gz AQHMKXQROXYYFW-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN Clc1ccc(C2CCN(Cc3cccnn3)CC2)cc1 ZINC001139969962 1131653723 /nfs/dbraw/zinc/65/37/23/1131653723.db2.gz IQYHQXPQNSFCCS-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN CSc1ccccc1[C@H]1CCCN1Cc1cccnn1 ZINC001139973738 1131653774 /nfs/dbraw/zinc/65/37/74/1131653774.db2.gz HIPXGYFXKPUQQM-OAHLLOKOSA-N 0 1 285.416 3.536 20 0 CHADMN CCC(CC)[N@@H+](C)Cc1cc(Br)cnc1F ZINC001140008542 1131655389 /nfs/dbraw/zinc/65/53/89/1131655389.db2.gz ZQSCHULJBLXYNT-UHFFFAOYSA-N 0 1 289.192 3.604 20 0 CHADMN CCC(CC)N(C)Cc1cc(Br)cnc1F ZINC001140008542 1131655392 /nfs/dbraw/zinc/65/53/92/1131655392.db2.gz ZQSCHULJBLXYNT-UHFFFAOYSA-N 0 1 289.192 3.604 20 0 CHADMN c1cc2c(s1)CN(Cc1cc3ccccc3cn1)CC2 ZINC001139998778 1131655799 /nfs/dbraw/zinc/65/57/99/1131655799.db2.gz DUAOHOVKEOZWBD-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN [O-]c1cc(F)c(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC001144554876 1131656103 /nfs/dbraw/zinc/65/61/03/1131656103.db2.gz KMWLZUMLDMGYPV-ZBEGNZNMSA-N 0 1 281.346 3.825 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC001144554876 1131656109 /nfs/dbraw/zinc/65/61/09/1131656109.db2.gz KMWLZUMLDMGYPV-ZBEGNZNMSA-N 0 1 281.346 3.825 20 0 CHADMN CCC[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1F ZINC001140048347 1131659212 /nfs/dbraw/zinc/65/92/12/1131659212.db2.gz XNIMSBCSGZTBGP-UHFFFAOYSA-N 0 1 273.351 3.944 20 0 CHADMN CCCN(Cc1ccccc1)Cc1cc(O)ccc1F ZINC001140048347 1131659216 /nfs/dbraw/zinc/65/92/16/1131659216.db2.gz XNIMSBCSGZTBGP-UHFFFAOYSA-N 0 1 273.351 3.944 20 0 CHADMN COc1c(Cl)cccc1CN1CCC[C@H](F)CC1 ZINC001140056787 1131660150 /nfs/dbraw/zinc/66/01/50/1131660150.db2.gz JKRJKLLMGWQJLL-LBPRGKRZSA-N 0 1 271.763 3.673 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2c(F)cc(O)cc2F)CC1 ZINC001144567488 1131660683 /nfs/dbraw/zinc/66/06/83/1131660683.db2.gz NLUXIAYLDNYRDR-XYPYZODXSA-N 0 1 269.335 3.681 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2c(F)cc([O-])cc2F)CC1 ZINC001144567488 1131660685 /nfs/dbraw/zinc/66/06/85/1131660685.db2.gz NLUXIAYLDNYRDR-XYPYZODXSA-N 0 1 269.335 3.681 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2cc(C(F)(F)F)ccn2)C1 ZINC001140109000 1131664689 /nfs/dbraw/zinc/66/46/89/1131664689.db2.gz WLISVUCHFZFJNY-QWRGUYRKSA-N 0 1 272.314 3.578 20 0 CHADMN Oc1ccc(CN(Cc2ccccc2)C2CC2)c(F)c1 ZINC001140128326 1131665185 /nfs/dbraw/zinc/66/51/85/1131665185.db2.gz LRLBSSSSBUQDLB-UHFFFAOYSA-N 0 1 271.335 3.696 20 0 CHADMN CCCC[C@@](C)(F)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000834335774 1131670636 /nfs/dbraw/zinc/67/06/36/1131670636.db2.gz XGZPUUZLAZFQML-OAHLLOKOSA-N 0 1 277.343 3.728 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc(-c2ccncc2)cc1 ZINC001140168560 1131670895 /nfs/dbraw/zinc/67/08/95/1131670895.db2.gz HAPIBVGXGRMZBS-UHFFFAOYSA-N 0 1 289.382 3.776 20 0 CHADMN F[C@@H]1CCCN(Cc2ccc(-c3ccncc3)cc2)C1 ZINC001140172975 1131671892 /nfs/dbraw/zinc/67/18/92/1131671892.db2.gz JTPLEBXBFBLTIN-QGZVFWFLSA-N 0 1 270.351 3.683 20 0 CHADMN CC[N@@H+](Cc1cc(F)c([O-])cc1F)C1CCCCC1 ZINC001144646938 1131673619 /nfs/dbraw/zinc/67/36/19/1131673619.db2.gz QVSUTZLSXQBWHT-UHFFFAOYSA-N 0 1 269.335 3.825 20 0 CHADMN Cc1cc(CN2CCO[C@@H](c3ccccc3)C2)c(C)cc1O ZINC001140201424 1131676096 /nfs/dbraw/zinc/67/60/96/1131676096.db2.gz LCPZGIOZRFDEFH-LJQANCHMSA-N 0 1 297.398 3.583 20 0 CHADMN Cc1cc(CN2CCc3c(F)cccc3C2)c(C)cc1O ZINC001140202280 1131676574 /nfs/dbraw/zinc/67/65/74/1131676574.db2.gz OXBPNBWTPCAZRR-UHFFFAOYSA-N 0 1 285.362 3.706 20 0 CHADMN CC[C@H](OCCNCc1nc(C)cs1)c1ccccc1 ZINC000846020662 1131677724 /nfs/dbraw/zinc/67/77/24/1131677724.db2.gz MUYNFPQIMRRTGJ-HNNXBMFYSA-N 0 1 290.432 3.709 20 0 CHADMN CCCN(CCC)c1ccc(NCc2cn[nH]c2)cc1 ZINC000846057889 1131679381 /nfs/dbraw/zinc/67/93/81/1131679381.db2.gz MQUHRYCFHLFVQM-UHFFFAOYSA-N 0 1 272.396 3.648 20 0 CHADMN CC(C)c1ncc(CN2CCC[C@]3(CC3(F)F)C2)s1 ZINC000846107735 1131686333 /nfs/dbraw/zinc/68/63/33/1131686333.db2.gz JPVRRFFMVSTNJN-ZDUSSCGKSA-N 0 1 286.391 3.888 20 0 CHADMN Cc1ccc(-c2ccc(CN3C[C@H]4[C@@H](C3)C4(F)F)o2)cc1 ZINC000846110590 1131687383 /nfs/dbraw/zinc/68/73/83/1131687383.db2.gz HVGRQGUKXVCBKN-GASCZTMLSA-N 0 1 289.325 3.952 20 0 CHADMN CN(C)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC001140300225 1131690726 /nfs/dbraw/zinc/69/07/26/1131690726.db2.gz SIYKMFUANSTBFO-UHFFFAOYSA-N 0 1 297.221 3.634 20 0 CHADMN Fc1ccc(/C=C\C[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000846106357 1131691287 /nfs/dbraw/zinc/69/12/87/1131691287.db2.gz ADNJDTBWQPEMAJ-PEXHTFQZSA-N 0 1 281.321 3.960 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1cccc(CC)c1 ZINC000846207936 1131695723 /nfs/dbraw/zinc/69/57/23/1131695723.db2.gz CLKPVCOFRIROCI-LBPRGKRZSA-N 0 1 272.392 3.959 20 0 CHADMN Cc1ccc2[nH]nc(CN3CCc4c(C)cccc4C3)c2c1 ZINC001140328607 1131698786 /nfs/dbraw/zinc/69/87/86/1131698786.db2.gz IDNVFWZFSWAZQV-UHFFFAOYSA-N 0 1 291.398 3.738 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCc4c(C)cccc4C3)c2c1 ZINC001140328607 1131698787 /nfs/dbraw/zinc/69/87/87/1131698787.db2.gz IDNVFWZFSWAZQV-UHFFFAOYSA-N 0 1 291.398 3.738 20 0 CHADMN COc1ccccc1CN(C)Cc1[nH]nc2ccc(C)cc21 ZINC001140330909 1131699610 /nfs/dbraw/zinc/69/96/10/1131699610.db2.gz PHAALFJSFZFVGV-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN Cc1ccc2n[nH]c(CN3Cc4ccccc4C[C@H]3C)c2c1 ZINC001140333155 1131700332 /nfs/dbraw/zinc/70/03/32/1131700332.db2.gz DFUUJKIEHSCCMI-CQSZACIVSA-N 0 1 291.398 3.818 20 0 CHADMN Cc1ccc2[nH]nc(CN3Cc4ccccc4C[C@H]3C)c2c1 ZINC001140333155 1131700336 /nfs/dbraw/zinc/70/03/36/1131700336.db2.gz DFUUJKIEHSCCMI-CQSZACIVSA-N 0 1 291.398 3.818 20 0 CHADMN CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001144745544 1131700557 /nfs/dbraw/zinc/70/05/57/1131700557.db2.gz FKONISKZWJZYDR-CHWSQXEVSA-N 0 1 285.391 3.508 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCC[C@H](C)[C@H]1C ZINC001144754018 1131701531 /nfs/dbraw/zinc/70/15/31/1131701531.db2.gz AOGLIPUQOMTZED-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN C/C(=C/C[N@H+]1CCC[C@H]1CCC1CCCCC1)C(=O)[O-] ZINC000846254591 1131703862 /nfs/dbraw/zinc/70/38/62/1131703862.db2.gz QVBHBFIAWIDFRL-QBOMHBFWSA-N 0 1 279.424 3.842 20 0 CHADMN C/C(=C/C[N@H+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1)C(=O)[O-] ZINC000846252077 1131704386 /nfs/dbraw/zinc/70/43/86/1131704386.db2.gz OOALKSLRJVENOP-BFMCYROOSA-N 0 1 295.810 3.795 20 0 CHADMN C/C(=C\C[N@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1)C(=O)[O-] ZINC000846252080 1131704440 /nfs/dbraw/zinc/70/44/40/1131704440.db2.gz OOALKSLRJVENOP-MTYQHRKZSA-N 0 1 295.810 3.795 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc2ccccc2s1 ZINC000846276179 1131704843 /nfs/dbraw/zinc/70/48/43/1131704843.db2.gz ZOQNXBNIOCUALH-AWEZNQCLSA-N 0 1 291.416 3.832 20 0 CHADMN c1ccc2c(c1)CN(Cc1ccc(-c3cncnc3)cc1)C2 ZINC001140351306 1131705129 /nfs/dbraw/zinc/70/51/29/1131705129.db2.gz XFJFCCHPAPTPIE-UHFFFAOYSA-N 0 1 287.366 3.659 20 0 CHADMN CSc1ccccc1[C@H]1CCCN1Cc1ccncn1 ZINC001140348860 1131705283 /nfs/dbraw/zinc/70/52/83/1131705283.db2.gz CYRQSJOAEAEYGE-OAHLLOKOSA-N 0 1 285.416 3.536 20 0 CHADMN C[C@@H]1CC[C@@H](N[C@H]2CCn3ccnc32)c2sccc21 ZINC000834830837 1131708288 /nfs/dbraw/zinc/70/82/88/1131708288.db2.gz GYLJTMYKOQQDOS-RTXFEEFZSA-N 0 1 273.405 3.618 20 0 CHADMN C[N@H+](Cc1cnc(-c2ccccc2F)nc1)C[C@@H]1CC1(C)C ZINC001140405310 1131714126 /nfs/dbraw/zinc/71/41/26/1131714126.db2.gz PXUVGFGRZOIKBQ-AWEZNQCLSA-N 0 1 299.393 3.761 20 0 CHADMN COc1ccc2cc(OC3CN(C(C)(C)C)C3)ccc2c1 ZINC001227655988 1131720545 /nfs/dbraw/zinc/72/05/45/1131720545.db2.gz JCJBMJTUFNVFKY-UHFFFAOYSA-N 0 1 285.387 3.710 20 0 CHADMN CCN(Cc1ccccc1)Cc1cnc(Cl)c(F)c1 ZINC000846763340 1131724991 /nfs/dbraw/zinc/72/49/91/1131724991.db2.gz PBHVRUCVCIZURN-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2ccc(Cl)nc2)cn1 ZINC000834902977 1131726677 /nfs/dbraw/zinc/72/66/77/1131726677.db2.gz MXUSVXKAXYBPQY-GFCCVEGCSA-N 0 1 275.783 3.598 20 0 CHADMN Cc1cc(Cl)cc(Cl)c1O[C@H]1CN2CCC1CC2 ZINC001227724736 1131729193 /nfs/dbraw/zinc/72/91/93/1131729193.db2.gz LYHCTBHNRJDLFR-ZDUSSCGKSA-N 0 1 286.202 3.775 20 0 CHADMN Cc1ccc(Cl)nc1CN1CCCC2(CCC2)C1 ZINC001140447232 1131740866 /nfs/dbraw/zinc/74/08/66/1131740866.db2.gz ULVMMNBLNQANKA-UHFFFAOYSA-N 0 1 264.800 3.810 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1ccccc1-c1nccs1 ZINC001140449732 1131743361 /nfs/dbraw/zinc/74/33/61/1131743361.db2.gz WGPFAIXSMNCBSC-YPMHNXCESA-N 0 1 276.380 3.742 20 0 CHADMN FC[C@H]1CCCN1Cc1ccccc1-c1nccs1 ZINC001140454731 1131744595 /nfs/dbraw/zinc/74/45/95/1131744595.db2.gz OKFVQWUGEOASCD-CYBMUJFWSA-N 0 1 276.380 3.744 20 0 CHADMN c1nsnc1CN1C[C@@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000846860036 1131745933 /nfs/dbraw/zinc/74/59/33/1131745933.db2.gz BPNSVBINIFIXHO-ULQDDVLXSA-N 0 1 299.443 3.696 20 0 CHADMN C[C@H](COCC1CC1)NCc1cccc(Cl)c1Cl ZINC001203039085 1131747752 /nfs/dbraw/zinc/74/77/52/1131747752.db2.gz NXIMYQSAMPASPM-SNVBAGLBSA-N 0 1 288.218 3.898 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1cnc(Cl)c(F)c1 ZINC000846840938 1131749145 /nfs/dbraw/zinc/74/91/45/1131749145.db2.gz KBPXDBJCGOOYFG-ONGXEEELSA-N 0 1 256.752 3.637 20 0 CHADMN C[C@@H](NCc1cnc(Cl)c(F)c1)c1ccsc1 ZINC000846893676 1131756257 /nfs/dbraw/zinc/75/62/57/1131756257.db2.gz WXEJCOBKWWBZQU-MRVPVSSYSA-N 0 1 270.760 3.786 20 0 CHADMN CCC1CN(Cc2ccc(CSC(F)F)o2)C1 ZINC000835075738 1131768413 /nfs/dbraw/zinc/76/84/13/1131768413.db2.gz ZEDLIXGZQXDSHV-UHFFFAOYSA-N 0 1 261.337 3.577 20 0 CHADMN c1cc(CN2CC3(C2)CCCCC3)n(-c2ccccc2)n1 ZINC001140528315 1131780391 /nfs/dbraw/zinc/78/03/91/1131780391.db2.gz ZTFXOSYLSBQDIH-UHFFFAOYSA-N 0 1 281.403 3.638 20 0 CHADMN COc1cccc([C@H]2CCCCN2Cc2ccccn2)c1 ZINC001204061964 1131780810 /nfs/dbraw/zinc/78/08/10/1131780810.db2.gz TYPBPZVWBJYHAX-GOSISDBHSA-N 0 1 282.387 3.817 20 0 CHADMN Fc1cc(F)c(CN(C2CCC2)C2CCOCC2)c(F)c1 ZINC001140536123 1131782625 /nfs/dbraw/zinc/78/26/25/1131782625.db2.gz ZUQBXUQPJOUANU-UHFFFAOYSA-N 0 1 299.336 3.637 20 0 CHADMN CN(CCOc1ccccc1)Cc1cc(F)cc(Cl)c1 ZINC001140538206 1131783539 /nfs/dbraw/zinc/78/35/39/1131783539.db2.gz JSTWSVOSXPFIRQ-UHFFFAOYSA-N 0 1 293.769 3.990 20 0 CHADMN FC[C@@H]1CCCN(Cc2cc(F)cc(Cl)c2)C1 ZINC001140538996 1131785216 /nfs/dbraw/zinc/78/52/16/1131785216.db2.gz QMCWHZNYTOCEGF-JTQLQIEISA-N 0 1 259.727 3.661 20 0 CHADMN C[C@H]1CN(Cc2cccc(F)c2Cl)C2(CC2)C1 ZINC001140568044 1131797316 /nfs/dbraw/zinc/79/73/16/1131797316.db2.gz OJLPPNKZFFPLQT-SNVBAGLBSA-N 0 1 253.748 3.854 20 0 CHADMN Fc1cccc(CN2CC[C@@H](COCC3CC3)C2)c1Cl ZINC001140567644 1131797482 /nfs/dbraw/zinc/79/74/82/1131797482.db2.gz GQPFACAAZPKHSR-CYBMUJFWSA-N 0 1 297.801 3.728 20 0 CHADMN CCC(C)(C)[C@@H](C)NC(=O)c1ccc(Cl)c(O)c1 ZINC001147125933 1131808499 /nfs/dbraw/zinc/80/84/99/1131808499.db2.gz ISHYWNMOPBBECZ-SECBINFHSA-N 0 1 269.772 3.600 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1cc(F)ccc1C)C2 ZINC001140589360 1131813363 /nfs/dbraw/zinc/81/33/63/1131813363.db2.gz AWOFFOLSSNTFEJ-UHFFFAOYSA-N 0 1 285.362 3.701 20 0 CHADMN CC(C)(C)Oc1ccnc(N[C@H]2COCc3ccccc32)c1 ZINC001171301686 1131817390 /nfs/dbraw/zinc/81/73/90/1131817390.db2.gz OECVXYYNZZAVCG-INIZCTEOSA-N 0 1 298.386 3.942 20 0 CHADMN CCc1ccccc1CNC(=O)c1ccc(Cl)c(O)c1 ZINC001147493585 1131824986 /nfs/dbraw/zinc/82/49/86/1131824986.db2.gz DNYYSHUEZCROLA-UHFFFAOYSA-N 0 1 289.762 3.538 20 0 CHADMN CC(C)[C@H]1COCCN1Cc1csc2ccccc12 ZINC001140639396 1131838121 /nfs/dbraw/zinc/83/81/21/1131838121.db2.gz ZDDQUADPRCEVGC-OAHLLOKOSA-N 0 1 275.417 3.758 20 0 CHADMN c1ccc2c(c1)CN(Cc1cccc3ccncc31)C2 ZINC001140639469 1131840012 /nfs/dbraw/zinc/84/00/12/1131840012.db2.gz CPRNOGFNFOGLLD-UHFFFAOYSA-N 0 1 260.340 3.751 20 0 CHADMN Cc1nc2ccc(O[C@H](C(C)C)C(F)(F)F)cc2[nH]1 ZINC001228326108 1131858274 /nfs/dbraw/zinc/85/82/74/1131858274.db2.gz FMAHBUMHLFUKQQ-GFCCVEGCSA-N 0 1 272.270 3.837 20 0 CHADMN Cc1nc2ccc(O[C@H]3CCc4ccccc4C3)cc2[nH]1 ZINC001228328170 1131858877 /nfs/dbraw/zinc/85/88/77/1131858877.db2.gz BRWDVZUJFUWXQC-HNNXBMFYSA-N 0 1 278.355 3.808 20 0 CHADMN CCCCCC[C@@H](CC)C(=O)Nc1ccc2[nH]nnc2c1 ZINC001149025485 1131878311 /nfs/dbraw/zinc/87/83/11/1131878311.db2.gz KNXACZWMFLPZJE-GFCCVEGCSA-N 0 1 288.395 3.893 20 0 CHADMN CCCCCC[C@H](CC)C(=O)Nc1ccc2[nH]nnc2c1 ZINC001149025491 1131878346 /nfs/dbraw/zinc/87/83/46/1131878346.db2.gz KNXACZWMFLPZJE-LBPRGKRZSA-N 0 1 288.395 3.893 20 0 CHADMN CCC[C@H](Oc1[nH]c(=O)ncc1Cl)c1ccccc1 ZINC001228483500 1131893083 /nfs/dbraw/zinc/89/30/83/1131893083.db2.gz ULDOCGYJNZUAIO-LBPRGKRZSA-N 0 1 278.739 3.756 20 0 CHADMN CCC[C@H](Oc1nc(Cl)nc2nc[nH]c21)[C@H](C)CC ZINC001228510144 1131899375 /nfs/dbraw/zinc/89/93/75/1131899375.db2.gz VHJHYCFSBLZFND-BDAKNGLRSA-N 0 1 282.775 3.600 20 0 CHADMN CCCC[C@H](CCC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507387 1131899607 /nfs/dbraw/zinc/89/96/07/1131899607.db2.gz OBTSKDTVARIVDG-VIFPVBQESA-N 0 1 282.775 3.744 20 0 CHADMN Cc1nc(CN2CCCC3(CCC3)C2)sc1C ZINC000348185561 1131902309 /nfs/dbraw/zinc/90/23/09/1131902309.db2.gz ZXDHEUOISUZHFA-UHFFFAOYSA-N 0 1 250.411 3.526 20 0 CHADMN CC(C)N1CCC[C@@H](Oc2cc(Cl)ncc2Cl)C1 ZINC001228546672 1131907428 /nfs/dbraw/zinc/90/74/28/1131907428.db2.gz AOMKHHLYJIFTNO-SNVBAGLBSA-N 0 1 289.206 3.640 20 0 CHADMN Cc1cccc([C@H](C)NCc2nc3cc(F)ccc3n2C)c1 ZINC000772998243 1131909299 /nfs/dbraw/zinc/90/92/99/1131909299.db2.gz GGYFJHMMSVRESO-ZDUSSCGKSA-N 0 1 297.377 3.872 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1ccc(F)cc1C)C2 ZINC001140778328 1131912252 /nfs/dbraw/zinc/91/22/52/1131912252.db2.gz SSIPNVKZHYXZSL-UHFFFAOYSA-N 0 1 285.362 3.701 20 0 CHADMN C[C@H]1C[C@@H](CF)N([C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171367557 1131916023 /nfs/dbraw/zinc/91/60/23/1131916023.db2.gz XIWOFHHTZTZNNS-GDLCADMTSA-N 0 1 283.337 3.502 20 0 CHADMN COc1cccc2c1CN(Cc1coc3ccccc13)CC2 ZINC001140782532 1131916201 /nfs/dbraw/zinc/91/62/01/1131916201.db2.gz HEAUYCYHLROCMT-UHFFFAOYSA-N 0 1 293.366 4.000 20 0 CHADMN Cc1cc(CN(Cc2ccccc2)C(C)(C)C)[nH]n1 ZINC001203066487 1131917433 /nfs/dbraw/zinc/91/74/33/1131917433.db2.gz FOIQJINPRAEDRK-UHFFFAOYSA-N 0 1 257.381 3.519 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c(Cl)c1 ZINC001140797063 1131924952 /nfs/dbraw/zinc/92/49/52/1131924952.db2.gz IXZXHXVXWXCSQF-CZUORRHYSA-N 0 1 279.811 3.649 20 0 CHADMN Cc1ccc(CN2CC[C@H]3CCCO[C@@H]3C2)c(Cl)c1 ZINC001140797063 1131924960 /nfs/dbraw/zinc/92/49/60/1131924960.db2.gz IXZXHXVXWXCSQF-CZUORRHYSA-N 0 1 279.811 3.649 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@@H](C)c1cncs1)CCC2 ZINC000773040380 1131927589 /nfs/dbraw/zinc/92/75/89/1131927589.db2.gz OOMQCGDRBAFOPG-XHDPSFHLSA-N 0 1 288.416 3.880 20 0 CHADMN CC[C@H](Oc1ccc2[nH]nnc2c1)c1cccc(F)c1C ZINC001228663659 1131930178 /nfs/dbraw/zinc/93/01/78/1131930178.db2.gz GPAZCJXTYFKNIU-INIZCTEOSA-N 0 1 285.322 3.936 20 0 CHADMN FC(F)(F)[C@@H](Oc1ccc2[nH]nnc2c1)c1ccccc1 ZINC001228666875 1131930914 /nfs/dbraw/zinc/93/09/14/1131930914.db2.gz JVRVIJSUWOIALL-ZDUSSCGKSA-N 0 1 293.248 3.640 20 0 CHADMN Cc1cc(Br)ccc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001140816722 1131933964 /nfs/dbraw/zinc/93/39/64/1131933964.db2.gz QVAIWERRMGSZNI-FPMFFAJLSA-N 0 1 298.199 3.690 20 0 CHADMN CCCN(Cc1c(F)cc(OC)cc1F)CC1CC1 ZINC001140824126 1131936972 /nfs/dbraw/zinc/93/69/72/1131936972.db2.gz YJBVVPYQURVXJO-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN COc1cc(F)c(CN2CCC[C@@H](C)[C@H]2C)c(F)c1 ZINC001140826732 1131939075 /nfs/dbraw/zinc/93/90/75/1131939075.db2.gz OVKIHOYAEJMLIB-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2cccc(F)n2)c2ccccc21 ZINC000773084160 1131940046 /nfs/dbraw/zinc/94/00/46/1131940046.db2.gz BJVZQCMLSXJNFT-MLGOLLRUSA-N 0 1 270.351 3.949 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cccc(F)n2)cc1 ZINC000773087446 1131941208 /nfs/dbraw/zinc/94/12/08/1131941208.db2.gz MMFMCZODELDRCJ-GFCCVEGCSA-N 0 1 258.340 3.634 20 0 CHADMN C[C@@H](NCc1cccc(F)n1)c1cc2c(s1)CCC2 ZINC000773085223 1131941740 /nfs/dbraw/zinc/94/17/40/1131941740.db2.gz HAFSDQLQAXBRKY-SNVBAGLBSA-N 0 1 276.380 3.622 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc(F)n2)cc1F ZINC000773088618 1131941746 /nfs/dbraw/zinc/94/17/46/1131941746.db2.gz PQFVUQPHWBYVCB-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(Cl)cc2Cl)n[nH]1 ZINC001203070311 1131942435 /nfs/dbraw/zinc/94/24/35/1131942435.db2.gz OIAMFLSORAQCPN-UHFFFAOYSA-N 0 1 284.190 3.657 20 0 CHADMN C[C@H](N[C@@H](c1cccnc1)C1CC1)c1cccnc1Cl ZINC000773115430 1131947880 /nfs/dbraw/zinc/94/78/80/1131947880.db2.gz BNIZQXWUCLISLO-XHDPSFHLSA-N 0 1 287.794 3.932 20 0 CHADMN Cc1c[nH]c(CN(C)C/C=C/c2ccccc2)c1C ZINC001140861587 1131950420 /nfs/dbraw/zinc/95/04/20/1131950420.db2.gz IXUOOJOHWDFQCO-JXMROGBWSA-N 0 1 254.377 3.777 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccc[nH]2)c(F)c1 ZINC000773119454 1131951221 /nfs/dbraw/zinc/95/12/21/1131951221.db2.gz RQJWTMRFJCVLJP-MNOVXSKESA-N 0 1 262.328 3.574 20 0 CHADMN CC[C@H](NCc1cnn(C)c1Cl)c1ccc(Cl)cc1 ZINC000712439622 1131955159 /nfs/dbraw/zinc/95/51/59/1131955159.db2.gz HIZCANUSFOFNTC-ZDUSSCGKSA-N 0 1 298.217 3.968 20 0 CHADMN Cc1cc(CN(C)Cc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC001203084144 1131976249 /nfs/dbraw/zinc/97/62/49/1131976249.db2.gz RTNRANXKDZKAHF-UHFFFAOYSA-N 0 1 284.190 3.657 20 0 CHADMN CC(C)c1ccc(-c2noc([C@@H]3CCCCN3)n2)cc1 ZINC000036819510 1131978483 /nfs/dbraw/zinc/97/84/83/1131978483.db2.gz JXYGKOZSQVNHFE-AWEZNQCLSA-N 0 1 271.364 3.675 20 0 CHADMN Cc1nc([C@@H](C)Sc2nc3ccccc3s2)n[nH]1 ZINC000839978639 1131983883 /nfs/dbraw/zinc/98/38/83/1131983883.db2.gz NFZQBNPMAKFZER-SSDOTTSWSA-N 0 1 276.390 3.576 20 0 CHADMN C[N@@H+](Cc1c[nH]nc1C(F)(F)F)[C@H]1CCc2ccccc21 ZINC001141019159 1131986034 /nfs/dbraw/zinc/98/60/34/1131986034.db2.gz WFHVQSYRICCRMT-ZDUSSCGKSA-N 0 1 295.308 3.548 20 0 CHADMN CN(Cc1c[nH]nc1C(F)(F)F)[C@H]1CCc2ccccc21 ZINC001141019159 1131986037 /nfs/dbraw/zinc/98/60/37/1131986037.db2.gz WFHVQSYRICCRMT-ZDUSSCGKSA-N 0 1 295.308 3.548 20 0 CHADMN CN(Cc1ccsc1)Cc1ccc2cccc(O)c2n1 ZINC001141021329 1131987641 /nfs/dbraw/zinc/98/76/41/1131987641.db2.gz BYFBVSKYVHPEMY-UHFFFAOYSA-N 0 1 284.384 3.634 20 0 CHADMN C[C@H]1CC=C(C(=O)Nc2ccc(CN(C)C)c(F)c2)CC1 ZINC000836741536 1131989614 /nfs/dbraw/zinc/98/96/14/1131989614.db2.gz DEXFYNBDRSUIFP-LBPRGKRZSA-N 0 1 290.382 3.572 20 0 CHADMN C[C@@H](NCc1ccc(Cl)cc1)c1ccns1 ZINC000715908609 1131995174 /nfs/dbraw/zinc/99/51/74/1131995174.db2.gz KSVGDOTTXQRESD-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1ccco1 ZINC000037108073 1131996306 /nfs/dbraw/zinc/99/63/06/1131996306.db2.gz XVMMZUFYXUPCCE-CQSZACIVSA-N 0 1 259.349 3.984 20 0 CHADMN CCOc1ccc([C@H](C)N[C@H](C)c2ccns2)cc1 ZINC000715934800 1131997477 /nfs/dbraw/zinc/99/74/77/1131997477.db2.gz YVESFWONIKOIRQ-NWDGAFQWSA-N 0 1 276.405 3.954 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)CC(C)(C)O2)c1ccns1 ZINC000716019533 1132002200 /nfs/dbraw/zinc/00/22/00/1132002200.db2.gz HZPCJWBMKRPHNG-LLVKDONJSA-N 0 1 288.416 3.707 20 0 CHADMN CCCCc1ncc(CN2CCC[C@@H](C(F)(F)F)C2)[nH]1 ZINC001141070013 1132003706 /nfs/dbraw/zinc/00/37/06/1132003706.db2.gz LOUNLTUDDPRIMY-LLVKDONJSA-N 0 1 289.345 3.527 20 0 CHADMN CCCCc1ncc(CN2CC[C@@H]2c2ccccc2)[nH]1 ZINC001141071904 1132003804 /nfs/dbraw/zinc/00/38/04/1132003804.db2.gz GUGPFPMNRTTYOV-MRXNPFEDSA-N 0 1 269.392 3.699 20 0 CHADMN CCCCc1ncc(CN2CC[C@H]2c2ccccc2)[nH]1 ZINC001141071903 1132004067 /nfs/dbraw/zinc/00/40/67/1132004067.db2.gz GUGPFPMNRTTYOV-INIZCTEOSA-N 0 1 269.392 3.699 20 0 CHADMN CCCCc1ncc(CN2CCC[C@H]2c2nccs2)[nH]1 ZINC001141072024 1132004222 /nfs/dbraw/zinc/00/42/22/1132004222.db2.gz LUQDGKPQQRMULI-ZDUSSCGKSA-N 0 1 290.436 3.546 20 0 CHADMN CC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1OC ZINC001141079240 1132007185 /nfs/dbraw/zinc/00/71/85/1132007185.db2.gz YFDIZVVCTMLHBG-UHFFFAOYSA-N 0 1 285.387 3.726 20 0 CHADMN COc1cc(OCc2ccccc2)ccc1CN1CC(C)C1 ZINC001141078925 1132007584 /nfs/dbraw/zinc/00/75/84/1132007584.db2.gz NUQWURXFLNQKOE-UHFFFAOYSA-N 0 1 297.398 3.726 20 0 CHADMN c1csc(-c2ccccc2CN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001141093640 1132012388 /nfs/dbraw/zinc/01/23/88/1132012388.db2.gz IJJHKXPHCFUXNT-GASCZTMLSA-N 0 1 285.412 3.778 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCCCCCCC1 ZINC000836925393 1132012759 /nfs/dbraw/zinc/01/27/59/1132012759.db2.gz ZUZGVVWZPWXGMA-UHFFFAOYSA-N 0 1 277.412 3.638 20 0 CHADMN CCN(Cc1ccccc1-c1cccs1)C1COC1 ZINC001141096607 1132015227 /nfs/dbraw/zinc/01/52/27/1132015227.db2.gz KPJURQWQJTUSGI-UHFFFAOYSA-N 0 1 273.401 3.636 20 0 CHADMN CC(C)(C)c1cccc(CN2CC3(CSC3)C2)c1 ZINC001141105936 1132019326 /nfs/dbraw/zinc/01/93/26/1132019326.db2.gz FZAWYEFVPRWMKO-UHFFFAOYSA-N 0 1 261.434 3.533 20 0 CHADMN Fc1ccc(-c2cc(CN3CC4(CCC4)C3)ccn2)cc1 ZINC001141116595 1132021440 /nfs/dbraw/zinc/02/14/40/1132021440.db2.gz HZTOCLGYUSCVCQ-UHFFFAOYSA-N 0 1 282.362 3.874 20 0 CHADMN CC1(C)CN(Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141116379 1132021764 /nfs/dbraw/zinc/02/17/64/1132021764.db2.gz XOKDOBSJDHVVIE-UHFFFAOYSA-N 0 1 270.351 3.730 20 0 CHADMN CC1(C)CCC[C@@H]1[C@@H]1CCN(Cc2ccc(Cl)nn2)C1 ZINC001171459283 1132035619 /nfs/dbraw/zinc/03/56/19/1132035619.db2.gz SPLFSVVZBUEFPG-TZMCWYRMSA-N 0 1 293.842 3.778 20 0 CHADMN Cc1ccnc(NCC2(c3ccccc3)CC2)c1C ZINC001171462270 1132036211 /nfs/dbraw/zinc/03/62/11/1132036211.db2.gz XFXGVIXXKPHZRN-UHFFFAOYSA-N 0 1 252.361 3.842 20 0 CHADMN Fc1cc2[nH]cnc2cc1NCC1(c2ccccc2)CC1 ZINC001171466500 1132039698 /nfs/dbraw/zinc/03/96/98/1132039698.db2.gz ZHHGOSVRIXSVTL-UHFFFAOYSA-N 0 1 281.334 3.846 20 0 CHADMN CCSc1ccccc1CN1CCOC[C@H]1C1CCC1 ZINC001171472340 1132040415 /nfs/dbraw/zinc/04/04/15/1132040415.db2.gz ZSUOXEPPERXCBN-INIZCTEOSA-N 0 1 291.460 3.800 20 0 CHADMN Cc1ccc(CN2CC(c3ccccc3)C2)c(F)c1 ZINC001141196792 1132041324 /nfs/dbraw/zinc/04/13/24/1132041324.db2.gz VFEMKFLQEGMUOZ-UHFFFAOYSA-N 0 1 255.336 3.734 20 0 CHADMN COc1ccc(C(F)(F)F)cc1CN1CCC[C@H]1C ZINC001141201078 1132042329 /nfs/dbraw/zinc/04/23/29/1132042329.db2.gz ZPEHKNWKTZIXMT-SNVBAGLBSA-N 0 1 273.298 3.698 20 0 CHADMN Fc1ccc(-c2cccc(CN3CC4(CCC4)C3)n2)cc1 ZINC001141205996 1132042837 /nfs/dbraw/zinc/04/28/37/1132042837.db2.gz PVTFNSACHUEYJH-UHFFFAOYSA-N 0 1 282.362 3.874 20 0 CHADMN CCc1ccccc1CN(C)Cc1cnc2ccccn12 ZINC001141224436 1132046607 /nfs/dbraw/zinc/04/66/07/1132046607.db2.gz VAXHZWJJDRSAIU-UHFFFAOYSA-N 0 1 279.387 3.529 20 0 CHADMN CCc1ccccc1CN1CCOc2ccccc2C1 ZINC001141226907 1132048910 /nfs/dbraw/zinc/04/89/10/1132048910.db2.gz PEASRHKIXZBJGN-UHFFFAOYSA-N 0 1 267.372 3.644 20 0 CHADMN CCC[C@@H](Oc1nc(C)nc2[nH]cnc21)c1ccccc1 ZINC001229438353 1132066561 /nfs/dbraw/zinc/06/65/61/1132066561.db2.gz IWYDZHVESLIUTF-CYBMUJFWSA-N 0 1 282.347 3.582 20 0 CHADMN Cc1ccc(CC[C@@H](C)N2CCC(F)(F)[C@H](F)C2)cc1 ZINC001171671375 1132074631 /nfs/dbraw/zinc/07/46/31/1132074631.db2.gz OYOZFHQVQSHEEU-UKRRQHHQSA-N 0 1 285.353 3.995 20 0 CHADMN CCN(Cc1sccc1OC)Cc1cccc(OC)c1 ZINC001141327084 1132086325 /nfs/dbraw/zinc/08/63/25/1132086325.db2.gz IXPKGQAHCFWJFI-UHFFFAOYSA-N 0 1 291.416 3.787 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(C(=O)[O-])c3)cc2)C1 ZINC001141350680 1132096729 /nfs/dbraw/zinc/09/67/29/1132096729.db2.gz MHXUXDCFDFIOOA-AWEZNQCLSA-N 0 1 295.382 3.894 20 0 CHADMN CC[C@@H]1CO[C@@H](CC)CN1Cc1ccc(F)cc1C ZINC001171779105 1132098085 /nfs/dbraw/zinc/09/80/85/1132098085.db2.gz SBGSAZAAGIEKJR-CVEARBPZSA-N 0 1 265.372 3.524 20 0 CHADMN COc1ccc2nc(OC3CCC(F)(F)CC3)[nH]c2c1 ZINC001229729237 1132110818 /nfs/dbraw/zinc/11/08/18/1132110818.db2.gz INCRVRHDVNXNBQ-UHFFFAOYSA-N 0 1 282.290 3.528 20 0 CHADMN COc1ccc2nc(O[C@H]3CCc4ccc(C)cc43)[nH]c2c1 ZINC001229726138 1132110837 /nfs/dbraw/zinc/11/08/37/1132110837.db2.gz AVBVXVSTAGULGA-KRWDZBQOSA-N 0 1 294.354 3.946 20 0 CHADMN COc1ccc2nc(O[C@@H](C)c3ccccc3)[nH]c2c1 ZINC001229727721 1132110871 /nfs/dbraw/zinc/11/08/71/1132110871.db2.gz RGASWUDTVKMUOQ-NSHDSACASA-N 0 1 268.316 3.712 20 0 CHADMN CCO[C@@]1(C)C[C@H]1NCc1ccc(Cl)c(C)c1Cl ZINC001203180872 1132121953 /nfs/dbraw/zinc/12/19/53/1132121953.db2.gz GUUAXSQNPTUXQU-OCCSQVGLSA-N 0 1 288.218 3.959 20 0 CHADMN CC[C@H](Oc1ccc(F)cc1CN(C)C)C(C)C ZINC001229857889 1132125025 /nfs/dbraw/zinc/12/50/25/1132125025.db2.gz BMEWVEHTNUYRMY-AWEZNQCLSA-N 0 1 253.361 3.701 20 0 CHADMN CCCC[C@H](C)Oc1ccc(F)cc1CN(C)C ZINC001229855270 1132125701 /nfs/dbraw/zinc/12/57/01/1132125701.db2.gz VYIJTEFOAMHABB-LBPRGKRZSA-N 0 1 253.361 3.845 20 0 CHADMN CC(C)[C@H](Oc1ccc(F)cc1CN(C)C)C(F)(F)F ZINC001229853379 1132125806 /nfs/dbraw/zinc/12/58/06/1132125806.db2.gz HDOLJSSDTFZNEG-ZDUSSCGKSA-N 0 1 293.304 3.853 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2CSc3ccccc3C2)cs1 ZINC001172183946 1132135189 /nfs/dbraw/zinc/13/51/89/1132135189.db2.gz IHNPCUFAXXZYMB-GWCFXTLKSA-N 0 1 290.457 3.819 20 0 CHADMN CCCOc1ccc(O[C@@H]2CCCN(CC)C2)c(F)c1F ZINC001229973174 1132139520 /nfs/dbraw/zinc/13/95/20/1132139520.db2.gz BCKHQJLVNCRVEY-GFCCVEGCSA-N 0 1 299.361 3.617 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(Cl)c(C)n2)cc1 ZINC001248869639 1132139917 /nfs/dbraw/zinc/13/99/17/1132139917.db2.gz ALIDBZLONYDRRR-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN COc1ccc(CN2CC[C@@H]2C)cc1OC1CCCC1 ZINC001141514221 1132145331 /nfs/dbraw/zinc/14/53/31/1132145331.db2.gz TUEBGLWLKKXYDO-ZDUSSCGKSA-N 0 1 275.392 3.611 20 0 CHADMN O=c1[nH]cnc(O[C@H]2CCc3cc(Cl)ccc32)c1Cl ZINC001230018020 1132145919 /nfs/dbraw/zinc/14/59/19/1132145919.db2.gz LTHPWNWNHJVIAA-JTQLQIEISA-N 0 1 297.141 3.555 20 0 CHADMN Cc1ccc(Cl)cc1[C@H](C)Oc1nc[nH]c(=O)c1Cl ZINC001230018800 1132146015 /nfs/dbraw/zinc/14/60/15/1132146015.db2.gz ULAFSYGYVPVLDF-QMMMGPOBSA-N 0 1 299.157 3.937 20 0 CHADMN Cc1noc(C)c1CN(C)Cc1ccc(C2CC2)cc1 ZINC000838798852 1132147339 /nfs/dbraw/zinc/14/73/39/1132147339.db2.gz VZRRZBZVRPOPTN-UHFFFAOYSA-N 0 1 270.376 3.801 20 0 CHADMN C[C@]1(F)CCCN([C@H]2CSc3ccccc3C2)C1 ZINC001172197396 1132147373 /nfs/dbraw/zinc/14/73/73/1132147373.db2.gz VIMZTXGWTJPLOH-HIFRSBDPSA-N 0 1 265.397 3.527 20 0 CHADMN CC(C)(NCc1cnc(C2CC2)nc1)c1ccc(F)cc1 ZINC000838930844 1132159625 /nfs/dbraw/zinc/15/96/25/1132159625.db2.gz MUZAOXCJRMPWHC-UHFFFAOYSA-N 0 1 285.366 3.518 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cccs2)c(Cl)n1 ZINC000838928636 1132160014 /nfs/dbraw/zinc/16/00/14/1132160014.db2.gz QPUWXLOTYIUKBQ-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN CC(C)(C)N1CC(Oc2cccc3sccc32)C1 ZINC001230208660 1132160145 /nfs/dbraw/zinc/16/01/45/1132160145.db2.gz KEQIOVRMEFRXDP-UHFFFAOYSA-N 0 1 261.390 3.763 20 0 CHADMN Cc1cc2[nH]ncc2cc1OC[C@@H]1CCc2ccccc2O1 ZINC001230223633 1132161552 /nfs/dbraw/zinc/16/15/52/1132161552.db2.gz UFALUIDMNIRPPG-HNNXBMFYSA-N 0 1 294.354 3.644 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@H](C)c1ccncc1F ZINC001230225413 1132163048 /nfs/dbraw/zinc/16/30/48/1132163048.db2.gz TXAMZBRKEHYMGT-SNVBAGLBSA-N 0 1 271.295 3.545 20 0 CHADMN CC[C@H](N[C@H]1COC(C)(C)C1)c1c(F)cccc1F ZINC001172281834 1132163746 /nfs/dbraw/zinc/16/37/46/1132163746.db2.gz MSKMYGOPJRZBSC-MFKMUULPSA-N 0 1 269.335 3.573 20 0 CHADMN C[C@@H]1CC[C@H](N2CCc3nc(Cl)ccc3C2)C[C@@H]1C ZINC001172374420 1132168915 /nfs/dbraw/zinc/16/89/15/1132168915.db2.gz QKXKRHYCOPTWNC-DYEKYZERSA-N 0 1 278.827 3.918 20 0 CHADMN CC[C@@H](C)OCC[C@@H](C)N1CCOC[C@@H]1c1ccccc1 ZINC001172334940 1132173439 /nfs/dbraw/zinc/17/34/39/1132173439.db2.gz DUSXQAMUNKMTMO-JFIYKMOQSA-N 0 1 291.435 3.654 20 0 CHADMN CC[C@H](C)OCC[C@H](C)N1CCC[C@H]1c1cc(C)on1 ZINC001172336523 1132175154 /nfs/dbraw/zinc/17/51/54/1132175154.db2.gz HZRNLXFOACNELI-XEZPLFJOSA-N 0 1 280.412 3.714 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)N1Cc2cccc(OC)c2C1 ZINC001172348551 1132181835 /nfs/dbraw/zinc/18/18/35/1132181835.db2.gz QRGWCWZGIXNHNI-KGLIPLIRSA-N 0 1 277.408 3.605 20 0 CHADMN c1ncc(CN2CC3(CCCC3)[C@@H]2c2ccccc2)[nH]1 ZINC000839125629 1132183420 /nfs/dbraw/zinc/18/34/20/1132183420.db2.gz DMXOQVCBIAJOHV-INIZCTEOSA-N 0 1 267.376 3.527 20 0 CHADMN Cc1cc(CN2CC(C3CCCC3)C2)cc(Cl)n1 ZINC000839143104 1132184736 /nfs/dbraw/zinc/18/47/36/1132184736.db2.gz MEJSYMTUXJYDDG-UHFFFAOYSA-N 0 1 264.800 3.665 20 0 CHADMN C[C@H]1CCN(Cc2c[nH]c3cc(Cl)ccc23)CCC1=O ZINC001141579934 1132187993 /nfs/dbraw/zinc/18/79/93/1132187993.db2.gz QYDPQRSUVNPHTH-NSHDSACASA-N 0 1 290.794 3.622 20 0 CHADMN Cc1nc2c(s1)CN([C@@H]1CC[C@H](C)[C@@H](C)C1)C2 ZINC001172382994 1132208879 /nfs/dbraw/zinc/20/88/79/1132208879.db2.gz NRQGCHKORUYLRD-JBLDHEPKSA-N 0 1 250.411 3.592 20 0 CHADMN Fc1cc2ncccc2cc1CN1CC[C@@]2(CC2(F)F)C1 ZINC001141631730 1132215984 /nfs/dbraw/zinc/21/59/84/1132215984.db2.gz WIHFOMPLBKSIBU-OAHLLOKOSA-N 0 1 292.304 3.605 20 0 CHADMN CN1CCC[C@@H](Oc2c(Cl)cccc2C(F)(F)F)C1 ZINC001230825495 1132219353 /nfs/dbraw/zinc/21/93/53/1132219353.db2.gz FFTQDQAAJLGYLW-SECBINFHSA-N 0 1 293.716 3.832 20 0 CHADMN CCc1nc([C@H](C)NCCOc2ccccc2C)cs1 ZINC000839556528 1132222945 /nfs/dbraw/zinc/22/29/45/1132222945.db2.gz PEIYXDGPMIVVDU-ZDUSSCGKSA-N 0 1 290.432 3.744 20 0 CHADMN Cc1ccc2c(c1)nc(=O)[nH]c2O[C@@H](C)c1ccc(F)cc1 ZINC001230888059 1132223723 /nfs/dbraw/zinc/22/37/23/1132223723.db2.gz JGVZTUHAGUSGKA-NSHDSACASA-N 0 1 298.317 3.923 20 0 CHADMN CC1=C(C)C[N@@H+](Cc2cccc(C(=O)C(F)(F)F)c2)CC1 ZINC000839593778 1132224677 /nfs/dbraw/zinc/22/46/77/1132224677.db2.gz UBXXMJWVWQQLTE-UHFFFAOYSA-N 0 1 297.320 3.974 20 0 CHADMN CC1=C(C)CN(Cc2cccc(C(=O)C(F)(F)F)c2)CC1 ZINC000839593778 1132224682 /nfs/dbraw/zinc/22/46/82/1132224682.db2.gz UBXXMJWVWQQLTE-UHFFFAOYSA-N 0 1 297.320 3.974 20 0 CHADMN Cc1nonc1CN(C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000839649780 1132228051 /nfs/dbraw/zinc/22/80/51/1132228051.db2.gz HWEIJMIIMBSMDE-RDJZCZTQSA-N 0 1 285.391 3.536 20 0 CHADMN CC(C)[C@H](Oc1cc2[nH]ncc2c(F)c1)C(F)(F)F ZINC001230931534 1132230460 /nfs/dbraw/zinc/23/04/60/1132230460.db2.gz OVMJFJXGLNUDTF-NSHDSACASA-N 0 1 276.233 3.668 20 0 CHADMN CC[C@H](Oc1cc2[nH]ncc2c(F)c1)C(C)(C)C ZINC001230931841 1132231264 /nfs/dbraw/zinc/23/12/64/1132231264.db2.gz QSCSBHQXXKZTKO-ZDUSSCGKSA-N 0 1 250.317 3.906 20 0 CHADMN Cc1cc([C@@H]2CCCN2[C@@H](C)CCOCC(C)C)no1 ZINC001172466274 1132243829 /nfs/dbraw/zinc/24/38/29/1132243829.db2.gz HNZGRFBEOCGYEI-BBRMVZONSA-N 0 1 280.412 3.571 20 0 CHADMN CC(C)COCC[C@H](C)N1CCO[C@H](c2ccccc2)C1 ZINC001172467357 1132244527 /nfs/dbraw/zinc/24/45/27/1132244527.db2.gz FDOJKWQLPFNDPZ-WMZOPIPTSA-N 0 1 291.435 3.511 20 0 CHADMN Cc1cccc(F)c1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001231034268 1132245618 /nfs/dbraw/zinc/24/56/18/1132245618.db2.gz KNAOXRKJUAQMSW-INIZCTEOSA-N 0 1 285.362 3.787 20 0 CHADMN CCCC[C@@H](C)N(CCCC)Cn1ccsc1=O ZINC000840089886 1132247537 /nfs/dbraw/zinc/24/75/37/1132247537.db2.gz BGABEZZJIHLKDH-CYBMUJFWSA-N 0 1 270.442 3.548 20 0 CHADMN CCCC[C@H](C)N(CCCC)Cn1ccsc1=O ZINC000840089887 1132247567 /nfs/dbraw/zinc/24/75/67/1132247567.db2.gz BGABEZZJIHLKDH-ZDUSSCGKSA-N 0 1 270.442 3.548 20 0 CHADMN CCC[C@H](Oc1nc(Cl)nc2[nH]ncc21)C(C)(C)C ZINC001231046934 1132248668 /nfs/dbraw/zinc/24/86/68/1132248668.db2.gz IHMXGFXGBQZZHK-VIFPVBQESA-N 0 1 282.775 3.600 20 0 CHADMN CCN1CCC[C@H](Oc2ncc(Cl)c(C)c2Cl)C1 ZINC001231068966 1132252300 /nfs/dbraw/zinc/25/23/00/1132252300.db2.gz WVEYRTQFBRIIOS-JTQLQIEISA-N 0 1 289.206 3.560 20 0 CHADMN CN(Cc1coc2ccc(F)cc12)Cc1cccc(O)c1 ZINC001141846544 1132255635 /nfs/dbraw/zinc/25/56/35/1132255635.db2.gz CBQQVDMJNGEEES-UHFFFAOYSA-N 0 1 285.318 3.910 20 0 CHADMN CCCCCC[C@H](CCCC)n1c(C)nnc1CN ZINC001172512917 1132259586 /nfs/dbraw/zinc/25/95/86/1132259586.db2.gz LASDFURPAMTUHN-AWEZNQCLSA-N 0 1 266.433 3.747 20 0 CHADMN CCCCCC[C@H](CCCC)NCc1nnc(C)o1 ZINC001172512724 1132259622 /nfs/dbraw/zinc/25/96/22/1132259622.db2.gz ISTSEVAPPKLRGS-AWEZNQCLSA-N 0 1 267.417 3.997 20 0 CHADMN c1ccc([C@@H]2CCC[C@@H](N3CCc4ncncc4C3)C2)cc1 ZINC001172550787 1132263696 /nfs/dbraw/zinc/26/36/96/1132263696.db2.gz BHIQLIVCWZONDT-SJLPKXTDSA-N 0 1 293.414 3.561 20 0 CHADMN Cc1nc[nH]c1-c1nc(-c2cccc3ccccc32)no1 ZINC001212668670 1132265645 /nfs/dbraw/zinc/26/56/45/1132265645.db2.gz KHRYKSHHUSLTIH-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cccc2c1OCO2 ZINC001141958575 1132273721 /nfs/dbraw/zinc/27/37/21/1132273721.db2.gz MRSHVVGNHWVDEJ-UHFFFAOYSA-N 0 1 287.334 3.577 20 0 CHADMN NCc1ncccc1N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172537912 1132276039 /nfs/dbraw/zinc/27/60/39/1132276039.db2.gz XWKQYAWAVRVMAB-HZPDHXFCSA-N 0 1 281.403 3.679 20 0 CHADMN CCCCc1ccc(-c2noc(-c3c[nH]nc3C)n2)cc1 ZINC001212677889 1132293166 /nfs/dbraw/zinc/29/31/66/1132293166.db2.gz VRZKCZRCCKVZRD-UHFFFAOYSA-N 0 1 282.347 3.778 20 0 CHADMN Cc1c(F)ccc(CN2CCC[C@H](F)CC2)c1F ZINC001231477059 1132296861 /nfs/dbraw/zinc/29/68/61/1132296861.db2.gz YVBMYJHJDUMRCB-LBPRGKRZSA-N 0 1 257.299 3.597 20 0 CHADMN O=C1N[C@H](NC2CCC3(CCCC3)CC2)c2ccccc21 ZINC001172724456 1132298142 /nfs/dbraw/zinc/29/81/42/1132298142.db2.gz SHGDQXVUBAHJBP-INIZCTEOSA-N 0 1 284.403 3.521 20 0 CHADMN CN(Cc1nnc2ccccn21)C1CCC2(CCCC2)CC1 ZINC001172727825 1132301133 /nfs/dbraw/zinc/30/11/33/1132301133.db2.gz YJKYTQZUWXIGFO-UHFFFAOYSA-N 0 1 298.434 3.664 20 0 CHADMN Cc1c(C)c(C)c(CN2CCC(=O)C[C@@H]2C)c(C)c1C ZINC001231491871 1132302614 /nfs/dbraw/zinc/30/26/14/1132302614.db2.gz APRCUWBSYARGGT-NSHDSACASA-N 0 1 273.420 3.782 20 0 CHADMN CCCOC1CN(C2CCC3(CCCC3)CC2)C1 ZINC001172730046 1132303354 /nfs/dbraw/zinc/30/33/54/1132303354.db2.gz SVLVYOYRMASZDO-UHFFFAOYSA-N 0 1 251.414 3.600 20 0 CHADMN c1ccc(-c2cccc(CN3CCOC[C@H]3C3CC3)c2)cc1 ZINC001231511934 1132311069 /nfs/dbraw/zinc/31/10/69/1132311069.db2.gz ZNAZQGHZODISNN-FQEVSTJZSA-N 0 1 293.410 3.964 20 0 CHADMN CC(C)(C)O[C@@H]1C[C@H](NCc2coc(C3CC3)n2)C1(C)C ZINC000840977034 1132316224 /nfs/dbraw/zinc/31/62/24/1132316224.db2.gz FMDDFROCFZNNJO-UONOGXRCSA-N 0 1 292.423 3.624 20 0 CHADMN COc1cc(F)ccc1CN(C)Cc1cccc(C)c1 ZINC001231602025 1132322870 /nfs/dbraw/zinc/32/28/70/1132322870.db2.gz MAFACPFRFPVLGV-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN COc1cc(F)ccc1CN1Cc2ccccc2[C@H](C)C1 ZINC001231602322 1132324033 /nfs/dbraw/zinc/32/40/33/1132324033.db2.gz OYPZEJYTTNYTEZ-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN CN(Cc1cc(Cl)cc(Cl)c1Cl)CC1COC1 ZINC001231603500 1132325679 /nfs/dbraw/zinc/32/56/79/1132325679.db2.gz BKFHUKFJMYSRSG-UHFFFAOYSA-N 0 1 294.609 3.725 20 0 CHADMN CCc1ccc(CN2CCCC[C@H]2c2cccnc2)nc1 ZINC001231640486 1132330546 /nfs/dbraw/zinc/33/05/46/1132330546.db2.gz GUQRYUTUYUFXFJ-SFHVURJKSA-N 0 1 281.403 3.766 20 0 CHADMN Cc1ccc(CN(C)C[C@H]2CC2(C)C)c(Cl)n1 ZINC001142139989 1132332075 /nfs/dbraw/zinc/33/20/75/1132332075.db2.gz DBKBEICYKFKRAD-GFCCVEGCSA-N 0 1 252.789 3.521 20 0 CHADMN Cc1sc2ccccc2c1CN(C)Cc1ccncn1 ZINC001231647679 1132333302 /nfs/dbraw/zinc/33/33/02/1132333302.db2.gz OUARBUWRKRNENE-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN CCOc1ccc(CN2CCc3ccccc3[C@H]2C)cn1 ZINC001231649246 1132335871 /nfs/dbraw/zinc/33/58/71/1132335871.db2.gz JLRIWXQOEQFRRD-CQSZACIVSA-N 0 1 282.387 3.600 20 0 CHADMN CCN(CCOC)Cc1ccc(C)c(Cl)c1Cl ZINC001231664755 1132341980 /nfs/dbraw/zinc/34/19/80/1132341980.db2.gz WRSFKFAVGBNEKF-UHFFFAOYSA-N 0 1 276.207 3.770 20 0 CHADMN O=C([O-])c1ccccc1-c1ccccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001231677548 1132343305 /nfs/dbraw/zinc/34/33/05/1132343305.db2.gz SNAMBLJCUYHXPC-GASCZTMLSA-N 0 1 293.366 3.504 20 0 CHADMN C[C@@]1(CF)CCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC001231680451 1132343746 /nfs/dbraw/zinc/34/37/46/1132343746.db2.gz PYRWGYHONXZKSR-INIZCTEOSA-N 0 1 290.407 3.992 20 0 CHADMN c1sc(CN2CCC3(CC3)C2)nc1-c1ccccc1 ZINC001231681725 1132344341 /nfs/dbraw/zinc/34/43/41/1132344341.db2.gz KAMMEZNYPKSMGC-UHFFFAOYSA-N 0 1 270.401 3.796 20 0 CHADMN COc1cc(Cl)c(CN2CC3CCC2CC3)c(OC)c1 ZINC001231695973 1132346913 /nfs/dbraw/zinc/34/69/13/1132346913.db2.gz AEDIRCYPYSJKPR-UHFFFAOYSA-N 0 1 295.810 3.732 20 0 CHADMN CCOc1ncccc1CN1CCC2(CC[C@@H](F)C2)CC1 ZINC001231769026 1132357341 /nfs/dbraw/zinc/35/73/41/1132357341.db2.gz SORNQRNEMDXVAI-OAHLLOKOSA-N 0 1 292.398 3.585 20 0 CHADMN CC(C)Cc1ccc(CN2CC3(C2)C[C@H](F)CS3)cc1 ZINC001231788123 1132363112 /nfs/dbraw/zinc/36/31/12/1132363112.db2.gz ONRBVYCNLQBRCY-INIZCTEOSA-N 0 1 293.451 3.915 20 0 CHADMN CC(C)Cc1ccc(CN2CCCC(=O)[C@@H](C)C2)cc1 ZINC001231787403 1132363704 /nfs/dbraw/zinc/36/37/04/1132363704.db2.gz ZNQCRLPIJUEFRH-HNNXBMFYSA-N 0 1 273.420 3.686 20 0 CHADMN C[C@@H]1CN(Cc2ccc(OC(C)(C)C)cc2)C[C@@H]1F ZINC001231803573 1132365661 /nfs/dbraw/zinc/36/56/61/1132365661.db2.gz BGCIPPMKSUEOFU-DOMZBBRYSA-N 0 1 265.372 3.654 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2-c2ccc(F)cc2)CCO1 ZINC001231821550 1132373703 /nfs/dbraw/zinc/37/37/03/1132373703.db2.gz CDLIDSVXXFDMMX-CQSZACIVSA-N 0 1 285.362 3.713 20 0 CHADMN Fc1ccc(-c2ccccc2CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001231823186 1132374081 /nfs/dbraw/zinc/37/40/81/1132374081.db2.gz ZWODXMSUPLVTKQ-HDICACEKSA-N 0 1 297.373 3.856 20 0 CHADMN CCN(Cc1sc2scc(C)c2c1C)C1COC1 ZINC001231833306 1132376258 /nfs/dbraw/zinc/37/62/58/1132376258.db2.gz WMYIUAIZGVBLKD-UHFFFAOYSA-N 0 1 281.446 3.800 20 0 CHADMN Cc1csc2sc(CN3CCCC34COC4)c(C)c12 ZINC001231831255 1132376599 /nfs/dbraw/zinc/37/65/99/1132376599.db2.gz CJUBFTJITNASIJ-UHFFFAOYSA-N 0 1 293.457 3.944 20 0 CHADMN Fc1cccc(Cl)c1CCCN1CC2(CCC2)C1 ZINC001206187199 1132379702 /nfs/dbraw/zinc/37/97/02/1132379702.db2.gz SCWXUDBWSPVEDI-UHFFFAOYSA-N 0 1 267.775 3.898 20 0 CHADMN Cc1ncc(CN(C)Cc2ccccc2C(C)C)cn1 ZINC001231877606 1132387125 /nfs/dbraw/zinc/38/71/25/1132387125.db2.gz LPLVMEJELAZGEA-UHFFFAOYSA-N 0 1 269.392 3.540 20 0 CHADMN Cc1cnc(CN)n1C1CCC2(CCCCC2)CC1 ZINC001173116765 1132395349 /nfs/dbraw/zinc/39/53/49/1132395349.db2.gz YHNHKKPSYJULDU-UHFFFAOYSA-N 0 1 261.413 3.716 20 0 CHADMN c1[nH]nc2cc(CN3CCSc4ccccc4C3)ccc12 ZINC001231908952 1132400224 /nfs/dbraw/zinc/40/02/24/1132400224.db2.gz PBQYVFJQVXMZMH-UHFFFAOYSA-N 0 1 295.411 3.671 20 0 CHADMN CCCN(CCc1ccccn1)Cc1ncccc1Cl ZINC001231959212 1132403053 /nfs/dbraw/zinc/40/30/53/1132403053.db2.gz PXPCJQFWLMULNR-UHFFFAOYSA-N 0 1 289.810 3.585 20 0 CHADMN Cc1cc(F)ncc1CN(C)Cc1cccc2cccnc21 ZINC001231982918 1132406131 /nfs/dbraw/zinc/40/61/31/1132406131.db2.gz HFZXSUPGXFGFQB-UHFFFAOYSA-N 0 1 295.361 3.709 20 0 CHADMN Fc1ncc(Cl)cc1CN1C2CCCC1CCC2 ZINC001231998122 1132407468 /nfs/dbraw/zinc/40/74/68/1132407468.db2.gz IZIIXDFYGFSQBU-UHFFFAOYSA-N 0 1 268.763 3.781 20 0 CHADMN C[C@H](CC(c1ccccc1)c1ccccc1)N1CC(C)(O)C1 ZINC001173216300 1132411260 /nfs/dbraw/zinc/41/12/60/1132411260.db2.gz XACIAPGIMZDRCQ-MRXNPFEDSA-N 0 1 295.426 3.664 20 0 CHADMN CC[C@@H]1C[C@H]1CN[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000842152000 1132412436 /nfs/dbraw/zinc/41/24/36/1132412436.db2.gz DPEFMUYMLFTZLU-LOWVWBTDSA-N 0 1 289.354 3.572 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2ccc(=O)[nH]n2)cc1C ZINC001232028327 1132412634 /nfs/dbraw/zinc/41/26/34/1132412634.db2.gz QMMUYPAEZBWANB-KRWDZBQOSA-N 0 1 297.402 3.526 20 0 CHADMN C[C@@H]1CCCC[N@@H+](Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142646737 1132416076 /nfs/dbraw/zinc/41/60/76/1132416076.db2.gz BKUSRCQZKUNAQX-LLVKDONJSA-N 0 1 281.783 3.660 20 0 CHADMN CCC(C)(C)c1ccc(CN2C[C@H](F)C[C@H](CO)C2)cc1 ZINC001232078575 1132419005 /nfs/dbraw/zinc/41/90/05/1132419005.db2.gz AZAXMRNOWCLPON-DOTOQJQBSA-N 0 1 293.426 3.527 20 0 CHADMN CC1(C)CCN(Cc2cccc(C(F)(F)F)n2)CC1 ZINC001232071694 1132419182 /nfs/dbraw/zinc/41/91/82/1132419182.db2.gz GEQXTKAJHRKZGM-UHFFFAOYSA-N 0 1 272.314 3.722 20 0 CHADMN Cc1ccc(CN2CCSc3ccccc3C2)c(C)n1 ZINC001232084794 1132420405 /nfs/dbraw/zinc/42/04/05/1132420405.db2.gz VJEQOOFCFXCFDF-UHFFFAOYSA-N 0 1 284.428 3.806 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1cc2ccncc2[nH]1 ZINC001232096162 1132421701 /nfs/dbraw/zinc/42/17/01/1132421701.db2.gz XJNZBPZCDXNRLR-ZDUSSCGKSA-N 0 1 295.386 3.765 20 0 CHADMN Fc1cc(F)c(CN2C[C@H]3CCC[C@@H]3C2)c(Cl)c1 ZINC001232097434 1132421726 /nfs/dbraw/zinc/42/17/26/1132421726.db2.gz NWLPPHJZEIBQIZ-NXEZZACHSA-N 0 1 271.738 3.850 20 0 CHADMN c1c2ccncc2[nH]c1CN1CC=C(c2ccccc2)CC1 ZINC001232095458 1132422597 /nfs/dbraw/zinc/42/25/97/1132422597.db2.gz JBDXISXHGDHTMJ-UHFFFAOYSA-N 0 1 289.382 3.852 20 0 CHADMN COc1ccnc(Cl)c1CN1CCC[C@H]2CCC[C@H]21 ZINC001232153960 1132427408 /nfs/dbraw/zinc/42/74/08/1132427408.db2.gz DJPGOEROWWATOI-DGCLKSJQSA-N 0 1 280.799 3.508 20 0 CHADMN COc1ccnc(Cl)c1CN1CC[C@H]2CCCC[C@H]2C1 ZINC001232153162 1132428166 /nfs/dbraw/zinc/42/81/66/1132428166.db2.gz FYIYTLOJXHWGCP-OLZOCXBDSA-N 0 1 294.826 3.756 20 0 CHADMN CC[C@H]1CCCN1Cc1ncc(C)cc1Br ZINC001232176271 1132431698 /nfs/dbraw/zinc/43/16/98/1132431698.db2.gz OYIYHUGZGOETOK-NSHDSACASA-N 0 1 283.213 3.527 20 0 CHADMN Cc1scnc1CN1CC[C@@H](c2ccccc2F)C1 ZINC001232203833 1132433086 /nfs/dbraw/zinc/43/30/86/1132433086.db2.gz KBNVOVHUQFMXOM-GFCCVEGCSA-N 0 1 276.380 3.580 20 0 CHADMN CC[C@H]1CC[C@H](NCc2nc(SC)ncc2Cl)C1 ZINC001173270925 1132434904 /nfs/dbraw/zinc/43/49/04/1132434904.db2.gz DGNLMORUNSVDGF-UWVGGRQHSA-N 0 1 285.844 3.520 20 0 CHADMN Fc1cccc2c(CN3CCc4ccccc4C3)ccnc12 ZINC001232208472 1132436217 /nfs/dbraw/zinc/43/62/17/1132436217.db2.gz WBKWHDYRRBGTAS-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN CN(Cc1cccc(O)c1)Cc1ccnc(C(C)(C)C)c1 ZINC001232214739 1132437487 /nfs/dbraw/zinc/43/74/87/1132437487.db2.gz YAZRFRKRMMJGKE-UHFFFAOYSA-N 0 1 284.403 3.717 20 0 CHADMN c1nscc1CN1CCCC[C@H]1c1ccccc1 ZINC001232224260 1132438548 /nfs/dbraw/zinc/43/85/48/1132438548.db2.gz IVORBFFIKIUMLU-HNNXBMFYSA-N 0 1 258.390 3.870 20 0 CHADMN Clc1ccccc1[C@@H]1CCN(Cc2cnsc2)C1 ZINC001232226969 1132438660 /nfs/dbraw/zinc/43/86/60/1132438660.db2.gz IEFBTIMWMPKLIR-GFCCVEGCSA-N 0 1 278.808 3.786 20 0 CHADMN CCc1ccc(C[C@H](C)n2c3ccccc3nc2CN)cc1 ZINC001173240374 1132440788 /nfs/dbraw/zinc/44/07/88/1132440788.db2.gz YIBUSDZBRRGRNF-AWEZNQCLSA-N 0 1 293.414 3.861 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2cccn2Cc2ccccc2)C1 ZINC001232232647 1132441137 /nfs/dbraw/zinc/44/11/37/1132441137.db2.gz VMAUNLFNMWLNNF-YJBOKZPZSA-N 0 1 286.394 3.716 20 0 CHADMN C[C@@H]1CCCCCN1Cc1ccnc(C(F)(F)F)c1 ZINC001232238797 1132442377 /nfs/dbraw/zinc/44/23/77/1132442377.db2.gz GYCXUGOLYUNPLN-LLVKDONJSA-N 0 1 272.314 3.865 20 0 CHADMN c1cc(CN2CC3(C2)CCCC3)n(Cc2ccccc2)c1 ZINC001232237099 1132443476 /nfs/dbraw/zinc/44/34/76/1132443476.db2.gz WVARBFXKQRQUHG-UHFFFAOYSA-N 0 1 280.415 3.912 20 0 CHADMN Clc1cc(CN2CC[C@H](c3ccncc3)C2)cs1 ZINC001142769330 1132443837 /nfs/dbraw/zinc/44/38/37/1132443837.db2.gz SARRMDFWIUFILX-ZDUSSCGKSA-N 0 1 278.808 3.786 20 0 CHADMN CCCCC[C@@H](C)Cc1nc(C2(N)CCCC2)no1 ZINC000842590014 1132444527 /nfs/dbraw/zinc/44/45/27/1132444527.db2.gz VCTGJPHQAPISKG-GFCCVEGCSA-N 0 1 265.401 3.557 20 0 CHADMN CCSC[C@H](C)N[C@H]1CCOc2cc(F)cc(F)c21 ZINC001173297439 1132445204 /nfs/dbraw/zinc/44/52/04/1132445204.db2.gz SUEZGMWZMKRNOF-CABZTGNLSA-N 0 1 287.375 3.520 20 0 CHADMN CCSC[C@@H](C)N[C@H]1CCOc2cc(F)cc(F)c21 ZINC001173297441 1132445776 /nfs/dbraw/zinc/44/57/76/1132445776.db2.gz SUEZGMWZMKRNOF-SKDRFNHKSA-N 0 1 287.375 3.520 20 0 CHADMN CCCCCC[C@@H](C)c1nc([C@@H]2CCCN2)no1 ZINC000842641470 1132447923 /nfs/dbraw/zinc/44/79/23/1132447923.db2.gz WINOZFJMZOMJCC-NEPJUHHUSA-N 0 1 251.374 3.568 20 0 CHADMN CCCOC1CCN(Cc2cc(Cl)cs2)CC1 ZINC001232281389 1132449097 /nfs/dbraw/zinc/44/90/97/1132449097.db2.gz KWGNQPGGODKDBR-UHFFFAOYSA-N 0 1 273.829 3.793 20 0 CHADMN CCSC[C@@H](C)N1CCc2cc(Cl)ccc2C1 ZINC001173310637 1132450540 /nfs/dbraw/zinc/45/05/40/1132450540.db2.gz GSANXAXJINZCES-LLVKDONJSA-N 0 1 269.841 3.840 20 0 CHADMN CCOc1ncc(CN2CC[C@H](C)C(F)(F)CC2)cc1C ZINC001232302855 1132451392 /nfs/dbraw/zinc/45/13/92/1132451392.db2.gz NCCNEDZKHLWVHA-ZDUSSCGKSA-N 0 1 298.377 3.656 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccccc2C)c(C)n1 ZINC001232311097 1132453298 /nfs/dbraw/zinc/45/32/98/1132453298.db2.gz DUZMJLFAGUJLDN-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN Cc1cc(Br)ncc1CN1CCCCC[C@H]1C ZINC001232315537 1132453326 /nfs/dbraw/zinc/45/33/26/1132453326.db2.gz BWYMFFYOZKGHPD-GFCCVEGCSA-N 0 1 297.240 3.917 20 0 CHADMN Cc1cc(Br)ncc1CN1CCC[C@H](C)[C@@H]1C ZINC001232320508 1132454094 /nfs/dbraw/zinc/45/40/94/1132454094.db2.gz WAZXQJGGXZZGJK-JQWIXIFHSA-N 0 1 297.240 3.773 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(Cl)cc2)c(C)n1 ZINC001232334928 1132455526 /nfs/dbraw/zinc/45/55/26/1132455526.db2.gz OXKNWAUDTGILOH-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN F[C@H]1CN(Cc2cccc(-c3ccccn3)c2)C[C@@H]2C[C@@H]21 ZINC001142832910 1132456294 /nfs/dbraw/zinc/45/62/94/1132456294.db2.gz NUMVNTBGOWCAHW-ULQDDVLXSA-N 0 1 282.362 3.538 20 0 CHADMN CSc1ccc(CN(Cc2ccccc2)C2CC2)cn1 ZINC001232331175 1132457147 /nfs/dbraw/zinc/45/71/47/1132457147.db2.gz DZKCHPWFGDVMTF-UHFFFAOYSA-N 0 1 284.428 3.968 20 0 CHADMN CCSC[C@H](C)NCc1c(F)cc(Cl)cc1F ZINC001173286534 1132457506 /nfs/dbraw/zinc/45/75/06/1132457506.db2.gz ATZXSCZPFAXPMF-QMMMGPOBSA-N 0 1 279.783 3.849 20 0 CHADMN CSc1cc(C)c(CN2CC3(C2)CCCCC3)cn1 ZINC001232350283 1132458533 /nfs/dbraw/zinc/45/85/33/1132458533.db2.gz QNDPGDLSMVYMEK-UHFFFAOYSA-N 0 1 276.449 3.878 20 0 CHADMN Cc1ccnc(CNCc2ccc3nc(C)ccc3c2)c1 ZINC000327981639 1132458701 /nfs/dbraw/zinc/45/87/01/1132458701.db2.gz IXMFFEVFHFNIAD-UHFFFAOYSA-N 0 1 277.371 3.536 20 0 CHADMN Cc1c(F)cc(CN2CCC(OC3CCC3)CC2)cc1F ZINC001232420718 1132467076 /nfs/dbraw/zinc/46/70/76/1132467076.db2.gz SDNSMCRGCZGEEB-UHFFFAOYSA-N 0 1 295.373 3.807 20 0 CHADMN Cc1c(F)cc(CN2CCC3(CC(F)C3)CC2)cc1F ZINC001232421190 1132467683 /nfs/dbraw/zinc/46/76/83/1132467683.db2.gz HNWYQWUXGKRSIH-UHFFFAOYSA-N 0 1 283.337 3.987 20 0 CHADMN CCCN(Cc1cn2cc(F)ccc2n1)Cc1ccccc1 ZINC001232412323 1132468149 /nfs/dbraw/zinc/46/81/49/1132468149.db2.gz IYIGFGZBPIKJNK-UHFFFAOYSA-N 0 1 297.377 3.886 20 0 CHADMN C/C=C(/C)COC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000842849739 1132468702 /nfs/dbraw/zinc/46/87/02/1132468702.db2.gz VMCDJALJCVOYNU-WCIBSUBMSA-N 0 1 270.332 3.508 20 0 CHADMN CN(Cc1ccon1)[C@@H]1CCCC2(CCCCC2)C1 ZINC001173344251 1132469717 /nfs/dbraw/zinc/46/97/17/1132469717.db2.gz SXFZWZSPZWDOQH-OAHLLOKOSA-N 0 1 262.397 4.000 20 0 CHADMN Clc1cccc2c1CN(Cc1ccnc3[nH]ccc31)CC2 ZINC001142882083 1132469999 /nfs/dbraw/zinc/46/99/99/1132469999.db2.gz CSUDJDDNAXJBFF-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN NCc1nc2cnccc2n1[C@H]1CCCC2(CCCCC2)C1 ZINC001173344039 1132470121 /nfs/dbraw/zinc/47/01/21/1132470121.db2.gz KZMZUEMYXZCEHR-AWEZNQCLSA-N 0 1 298.434 3.956 20 0 CHADMN O=C1CN([C@@H]2CCCC3(CCCCC3)C2)CCC[C@@H]1F ZINC001173347160 1132472978 /nfs/dbraw/zinc/47/29/78/1132472978.db2.gz XMOBXWZBHNBMPM-CABCVRRESA-N 0 1 281.415 3.883 20 0 CHADMN CCN(Cc1cnc(C)[nH]1)Cc1c(F)cccc1Cl ZINC001232465182 1132473789 /nfs/dbraw/zinc/47/37/89/1132473789.db2.gz XQFQTBXQWKPMJJ-UHFFFAOYSA-N 0 1 281.762 3.533 20 0 CHADMN Clc1ccnc2[nH]cc(CN3CCCCC34CC4)c21 ZINC001232463410 1132473992 /nfs/dbraw/zinc/47/39/92/1132473992.db2.gz JPIYQOIRRWPDBB-UHFFFAOYSA-N 0 1 275.783 3.735 20 0 CHADMN Cc1cccc(F)c1CN1CCCC[C@](C)(F)C1 ZINC001232491239 1132479764 /nfs/dbraw/zinc/47/97/64/1132479764.db2.gz XNAORIRQEGAOII-HNNXBMFYSA-N 0 1 253.336 3.848 20 0 CHADMN CC1(C)CN(Cc2cc(F)ccc2N)Cc2ccccc21 ZINC001232511627 1132481989 /nfs/dbraw/zinc/48/19/89/1132481989.db2.gz PKZDKATVDJYUQO-UHFFFAOYSA-N 0 1 284.378 3.701 20 0 CHADMN Brc1ccoc1CN1CC[C@@H]2CCC[C@@H]2C1 ZINC001143119350 1132503581 /nfs/dbraw/zinc/50/35/81/1132503581.db2.gz MFDWZTIGPLJWPC-WDEREUQCSA-N 0 1 284.197 3.664 20 0 CHADMN Cc1c(Br)cncc1CN1CC[C@@H](C)C[C@H]1C ZINC001232530559 1132483147 /nfs/dbraw/zinc/48/31/47/1132483147.db2.gz AABJANPEJHQPIR-GHMZBOCLSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1c(Br)cncc1CN1CCCCCCC1 ZINC001232530745 1132484162 /nfs/dbraw/zinc/48/41/62/1132484162.db2.gz HMCDBXKIYOTRJH-UHFFFAOYSA-N 0 1 297.240 3.919 20 0 CHADMN C[C@]1(F)CCCCN(C2Cc3cc(F)c(F)cc3C2)C1 ZINC001173480520 1132486444 /nfs/dbraw/zinc/48/64/44/1132486444.db2.gz FULFUUPUDHEYMV-INIZCTEOSA-N 0 1 283.337 3.646 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cccc(CF)n2)cc1 ZINC001232539570 1132486460 /nfs/dbraw/zinc/48/64/60/1132486460.db2.gz NYQTVORQHAPARZ-ZDUSSCGKSA-N 0 1 288.366 3.753 20 0 CHADMN Fc1cc2c(cc1F)CC(N1CC3(C1)CCCCC3)C2 ZINC001173482407 1132486484 /nfs/dbraw/zinc/48/64/84/1132486484.db2.gz FTDNRNCIAUTHEI-UHFFFAOYSA-N 0 1 277.358 3.698 20 0 CHADMN CC[C@H](Cc1ccccc1C)c1nc([C@H](N)C(C)C)no1 ZINC000843155964 1132497996 /nfs/dbraw/zinc/49/79/96/1132497996.db2.gz YTOTXEGORKZIOZ-UKRRQHHQSA-N 0 1 287.407 3.770 20 0 CHADMN C[C@@]1(F)CCN(Cc2cccc3c2CCCC3)C[C@H]1F ZINC001232634796 1132498029 /nfs/dbraw/zinc/49/80/29/1132498029.db2.gz WKVVYEYVPZZDQL-IAGOWNOFSA-N 0 1 279.374 3.837 20 0 CHADMN CCCC[N@@H+](C)Cc1cc(F)c([O-])c(Br)c1 ZINC001232630441 1132498525 /nfs/dbraw/zinc/49/85/25/1132498525.db2.gz RQRCVXOQTPLAQO-UHFFFAOYSA-N 0 1 290.176 3.526 20 0 CHADMN CC(C)[C@@H](N)c1noc(CCCCCc2cccs2)n1 ZINC000843150805 1132498861 /nfs/dbraw/zinc/49/88/61/1132498861.db2.gz VHIOEGQYMFEBKR-CQSZACIVSA-N 0 1 293.436 3.742 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@H](C)Cc2cccc(Cl)c2)n1 ZINC000843152162 1132498909 /nfs/dbraw/zinc/49/89/09/1132498909.db2.gz PWTLYPNZCNFQTD-ZWNOBZJWSA-N 0 1 293.798 3.725 20 0 CHADMN CC(C)[C@H](N)c1noc(/C(F)=C\C2CCCCC2)n1 ZINC000843152222 1132499111 /nfs/dbraw/zinc/49/91/11/1132499111.db2.gz HWUQQZUNUADXMR-OBIHZWKSSA-N 0 1 267.348 3.616 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc3c2CCCC3)cn1 ZINC001232639407 1132499938 /nfs/dbraw/zinc/49/99/38/1132499938.db2.gz CCUONLYHXMKYSD-UHFFFAOYSA-N 0 1 280.415 3.901 20 0 CHADMN CCS[C@@H](C)c1noc([C@H](CC(C)(C)C)NC)n1 ZINC000843191026 1132502449 /nfs/dbraw/zinc/50/24/49/1132502449.db2.gz AIPPLUZYEOBDTF-UWVGGRQHSA-N 0 1 271.430 3.580 20 0 CHADMN Cc1nc(CN2CCCCCCC2)ccc1Br ZINC001232665278 1132503654 /nfs/dbraw/zinc/50/36/54/1132503654.db2.gz CGWFVCSIGCQMND-UHFFFAOYSA-N 0 1 297.240 3.919 20 0 CHADMN Brc1ccc(CN2CCC[C@H]3CCCC[C@H]32)[nH]1 ZINC001232687204 1132506207 /nfs/dbraw/zinc/50/62/07/1132506207.db2.gz DVEOPKHHKPGMSR-DGCLKSJQSA-N 0 1 297.240 3.932 20 0 CHADMN CN(Cc1cc(F)c(Cl)cc1Cl)CC1CC1 ZINC001232699185 1132507903 /nfs/dbraw/zinc/50/79/03/1132507903.db2.gz WZIVYZXNAOKOBC-UHFFFAOYSA-N 0 1 262.155 3.974 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cc(C)cc(OC)c1)CC2 ZINC001143149198 1132508164 /nfs/dbraw/zinc/50/81/64/1132508164.db2.gz AKVPTKYVWZWVSM-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN COc1cc(C)cc(CN(Cc2ccco2)C2CC2)c1 ZINC001143159816 1132509418 /nfs/dbraw/zinc/50/94/18/1132509418.db2.gz GWXDPEMANKFWBC-UHFFFAOYSA-N 0 1 271.360 3.761 20 0 CHADMN Cc1cc(CN2CCC23CCCC3)c(F)cc1F ZINC001232784506 1132521097 /nfs/dbraw/zinc/52/10/97/1132521097.db2.gz MAIJQDDBWVJFNX-UHFFFAOYSA-N 0 1 251.320 3.792 20 0 CHADMN CCCn1cnc(CN2CCC[C@@H]2c2cccc(C)c2)c1 ZINC001232793522 1132524422 /nfs/dbraw/zinc/52/44/22/1132524422.db2.gz BBDDOZXIXUXOIX-GOSISDBHSA-N 0 1 283.419 3.939 20 0 CHADMN CCCN(CC)Cc1cc(Br)cnc1Cl ZINC000843391751 1132526496 /nfs/dbraw/zinc/52/64/96/1132526496.db2.gz YGBCVMCINMUIOK-UHFFFAOYSA-N 0 1 291.620 3.729 20 0 CHADMN CCN1CCN(c2ccc(Nc3ccccc3)cc2F)CC1 ZINC001173795358 1132529516 /nfs/dbraw/zinc/52/95/16/1132529516.db2.gz MORJVLLVJSKKFT-UHFFFAOYSA-N 0 1 299.393 3.711 20 0 CHADMN C[C@H]1CCCN(Cc2cc(Br)co2)C[C@H]1C ZINC001232851182 1132531176 /nfs/dbraw/zinc/53/11/76/1132531176.db2.gz ABWPIYYOQAMYAR-WDEREUQCSA-N 0 1 286.213 3.910 20 0 CHADMN Cc1ccc(CN(Cc2ccc(F)nc2C)CC2CC2)cn1 ZINC000843423384 1132531927 /nfs/dbraw/zinc/53/19/27/1132531927.db2.gz NBXGZGZKJNCTRO-UHFFFAOYSA-N 0 1 299.393 3.645 20 0 CHADMN COc1c(F)ccc(CN2CC[C@@H]3CCC[C@@H]3C2)c1F ZINC001143319842 1132534284 /nfs/dbraw/zinc/53/42/84/1132534284.db2.gz AQYHWFLGYVXZEA-NWDGAFQWSA-N 0 1 281.346 3.595 20 0 CHADMN COc1c(F)ccc(CN2CC[C@H]3CCC[C@H]3C2)c1F ZINC001143319841 1132534360 /nfs/dbraw/zinc/53/43/60/1132534360.db2.gz AQYHWFLGYVXZEA-NEPJUHHUSA-N 0 1 281.346 3.595 20 0 CHADMN COc1c(F)ccc(CN2[C@@H](C)CCC[C@@H]2C)c1F ZINC001143303883 1132534431 /nfs/dbraw/zinc/53/44/31/1132534431.db2.gz BSJFRMBHTMOGRY-QWRGUYRKSA-N 0 1 269.335 3.736 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1cc(C)cc(O)c1)C2 ZINC001232883250 1132536364 /nfs/dbraw/zinc/53/63/64/1132536364.db2.gz IJOITUHCQKXBRE-UHFFFAOYSA-N 0 1 267.372 3.567 20 0 CHADMN Cc1cc(CN2CCC[C@@H](C)CC2)ncc1Br ZINC001232904465 1132540164 /nfs/dbraw/zinc/54/01/64/1132540164.db2.gz CAKBJRWACIEXSH-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN Cc1cc(CN2CCCCC[C@@H]2C)ncc1Br ZINC001232904953 1132540994 /nfs/dbraw/zinc/54/09/94/1132540994.db2.gz ONSXSHLFVGUDDA-LBPRGKRZSA-N 0 1 297.240 3.917 20 0 CHADMN Cc1cc(Nc2cccc(C)c2)n(-c2ccncc2)n1 ZINC001173808042 1132542019 /nfs/dbraw/zinc/54/20/19/1132542019.db2.gz DQPICZVLUGKNFE-UHFFFAOYSA-N 0 1 264.332 3.628 20 0 CHADMN C[N@@H+](CCCc1ccccc1)Cc1ccc(F)c([O-])c1F ZINC001232935125 1132545685 /nfs/dbraw/zinc/54/56/85/1132545685.db2.gz GSWIDGJYINQKGJ-UHFFFAOYSA-N 0 1 291.341 3.735 20 0 CHADMN COc1ncc(CN2CCCC[C@H](F)C2)c2ccccc21 ZINC001232947512 1132547251 /nfs/dbraw/zinc/54/72/51/1132547251.db2.gz PARBBKULRLWCLV-AWEZNQCLSA-N 0 1 288.366 3.567 20 0 CHADMN Cn1cnc2cc(Nc3ccc(Cl)c(O)c3F)ccc21 ZINC001214801128 1132553655 /nfs/dbraw/zinc/55/36/55/1132553655.db2.gz AAYZLTCYXOBTJM-UHFFFAOYSA-N 0 1 291.713 3.815 20 0 CHADMN Cc1ncccc1CN(C)Cc1ccc(C2CC2)cc1 ZINC001232986251 1132556654 /nfs/dbraw/zinc/55/66/54/1132556654.db2.gz LTHZGYIECXCJPA-UHFFFAOYSA-N 0 1 266.388 3.899 20 0 CHADMN CCN(Cc1ccccc1)Cc1cc(F)cnc1C ZINC001232986651 1132558693 /nfs/dbraw/zinc/55/86/93/1132558693.db2.gz LTKPFQOWBJPTKC-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN Cc1cc(C)c(CN2CCc3c(C)cccc3C2)cn1 ZINC001233008985 1132562296 /nfs/dbraw/zinc/56/22/96/1132562296.db2.gz YBHBBAORTDTXNT-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ncc1O ZINC001233036153 1132564333 /nfs/dbraw/zinc/56/43/33/1132564333.db2.gz LRIOEIJRVJTYCH-GFCCVEGCSA-N 0 1 268.788 3.595 20 0 CHADMN CCC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ncc1[O-] ZINC001233036153 1132564335 /nfs/dbraw/zinc/56/43/35/1132564335.db2.gz LRIOEIJRVJTYCH-GFCCVEGCSA-N 0 1 268.788 3.595 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ncc1[O-] ZINC001233036153 1132564338 /nfs/dbraw/zinc/56/43/38/1132564338.db2.gz LRIOEIJRVJTYCH-GFCCVEGCSA-N 0 1 268.788 3.595 20 0 CHADMN C[N@@H+](Cc1cc(Cl)ncc1[O-])[C@H]1CCc2ccccc21 ZINC001233040106 1132565019 /nfs/dbraw/zinc/56/50/19/1132565019.db2.gz JYFUWCNGGWWGLU-AWEZNQCLSA-N 0 1 288.778 3.560 20 0 CHADMN COc1ccc(Nc2cnc3cccc(C)n23)cc1F ZINC001173862708 1132564844 /nfs/dbraw/zinc/56/48/44/1132564844.db2.gz DGJVWYKCYKIYAG-UHFFFAOYSA-N 0 1 271.295 3.534 20 0 CHADMN C[N@H+](Cc1cc(Cl)ncc1[O-])[C@H]1CCc2ccccc21 ZINC001233040106 1132565010 /nfs/dbraw/zinc/56/50/10/1132565010.db2.gz JYFUWCNGGWWGLU-AWEZNQCLSA-N 0 1 288.778 3.560 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCC[C@H](C)[C@H]1C ZINC001233020582 1132565436 /nfs/dbraw/zinc/56/54/36/1132565436.db2.gz NPJVLAGDCRUDTF-NWDGAFQWSA-N 0 1 281.421 3.545 20 0 CHADMN [O-]c1cnc(Cl)cc1C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC001233039461 1132566236 /nfs/dbraw/zinc/56/62/36/1132566236.db2.gz WONXSWSRZQXUBL-CQSZACIVSA-N 0 1 294.826 3.985 20 0 CHADMN CC[N@@H+](Cc1cc(F)c([O-])c(F)c1)C1CCCCC1 ZINC000131766931 1132571892 /nfs/dbraw/zinc/57/18/92/1132571892.db2.gz YXOGUPTVENUSPL-UHFFFAOYSA-N 0 1 269.335 3.825 20 0 CHADMN Cc1cccc2nc(C(=O)Nc3ccc4[nH]ccc4c3)[nH]c21 ZINC001151982646 1132576793 /nfs/dbraw/zinc/57/67/93/1132576793.db2.gz DMZNXYOPAPQSIF-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN CCCCC[C@@H](C(=O)N1CCN(C)[C@@H](C(C)C)C1)C(C)C ZINC001152080398 1132576960 /nfs/dbraw/zinc/57/69/60/1132576960.db2.gz AJBHFUPOJACCOM-IAGOWNOFSA-N 0 1 296.499 3.638 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc(C)c(C)c2)cc1 ZINC001233163736 1132577022 /nfs/dbraw/zinc/57/70/22/1132577022.db2.gz KZSAEULUQSHBSN-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CCC[C@@H]1C(C)C ZINC001233173485 1132577284 /nfs/dbraw/zinc/57/72/84/1132577284.db2.gz SJKCJCJBVXRUTJ-CQSZACIVSA-N 0 1 282.815 3.754 20 0 CHADMN FC(F)(F)c1cc(CN2C[C@H]3CC[C@@H]2C3)cs1 ZINC001233178794 1132578975 /nfs/dbraw/zinc/57/89/75/1132578975.db2.gz RCSJXGOLJJKWBJ-WCBMZHEXSA-N 0 1 261.312 3.751 20 0 CHADMN CN(CCc1ccncc1)Cc1ccc(Cl)c(F)c1F ZINC001233210108 1132579976 /nfs/dbraw/zinc/57/99/76/1132579976.db2.gz BZMVBXNMHJMSQL-UHFFFAOYSA-N 0 1 296.748 3.688 20 0 CHADMN Cc1cc(C)cc(Nc2ccnn2-c2ccncc2)c1 ZINC001173830775 1132585197 /nfs/dbraw/zinc/58/51/97/1132585197.db2.gz AWYMLAWOVNWFRU-UHFFFAOYSA-N 0 1 264.332 3.628 20 0 CHADMN CC(C)C[C@@H]1C[C@H]1C(=O)Nc1cccc(Cl)c1O ZINC001152995261 1132589738 /nfs/dbraw/zinc/58/97/38/1132589738.db2.gz MLTYTIYLPREIIL-NXEZZACHSA-N 0 1 267.756 3.666 20 0 CHADMN C[N@@H+](CCc1ccc(F)cc1)Cc1ccc([S-])cc1 ZINC001233261437 1132590297 /nfs/dbraw/zinc/59/02/97/1132590297.db2.gz PIMFHSCFUGYJKW-UHFFFAOYSA-N 0 1 275.392 3.789 20 0 CHADMN F[C@H]1CC[N@@H+](Cc2ccc([S-])cc2)CCC1(F)F ZINC001233258509 1132590547 /nfs/dbraw/zinc/59/05/47/1132590547.db2.gz HOXCIHDISSIWGG-LBPRGKRZSA-N 0 1 275.339 3.545 20 0 CHADMN Cc1ccc2c(c1)CC[N@H+](Cc1ccc([S-])cc1)C2 ZINC001233262846 1132593097 /nfs/dbraw/zinc/59/30/97/1132593097.db2.gz XRSQHNKRUCIKNY-UHFFFAOYSA-N 0 1 269.413 3.842 20 0 CHADMN [S-]c1ccc(C[N@H+]2CCOC[C@H]2C2CCCCC2)cc1 ZINC001233262801 1132593431 /nfs/dbraw/zinc/59/34/31/1132593431.db2.gz VPRXXEKZNIKLAU-KRWDZBQOSA-N 0 1 291.460 3.756 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2ccc(C(C)(C)C)c(F)c2)[nH]1 ZINC001153730901 1132600152 /nfs/dbraw/zinc/60/01/52/1132600152.db2.gz JLKJZDDIFSAOOU-UHFFFAOYSA-N 0 1 289.354 3.715 20 0 CHADMN CC(C)C1CCN(Cc2cnc3cccc(Cl)n23)CC1 ZINC001233359095 1132609786 /nfs/dbraw/zinc/60/97/86/1132609786.db2.gz IOCJVDDFXBUYRO-UHFFFAOYSA-N 0 1 291.826 3.856 20 0 CHADMN CC[C@H]1CCCCN1Cc1cnc2cccc(Cl)n12 ZINC001233359477 1132609921 /nfs/dbraw/zinc/60/99/21/1132609921.db2.gz XVOWIEDYXKGBDH-LBPRGKRZSA-N 0 1 277.799 3.752 20 0 CHADMN Nc1ccc(CN2CCC[C@H]2c2ccccn2)c(Cl)c1 ZINC001233376092 1132611136 /nfs/dbraw/zinc/61/11/36/1132611136.db2.gz QCNNQMDEJREWCN-INIZCTEOSA-N 0 1 287.794 3.654 20 0 CHADMN CCN(Cc1ccccc1)Cc1cc(F)c(F)cc1N ZINC001233378405 1132614301 /nfs/dbraw/zinc/61/43/01/1132614301.db2.gz RHRMAGMCXJERBQ-UHFFFAOYSA-N 0 1 276.330 3.569 20 0 CHADMN CC[C@@H](C)NC(=O)c1cccc2nc(-c3ccccc3)[nH]c21 ZINC001154489862 1132616641 /nfs/dbraw/zinc/61/66/41/1132616641.db2.gz MDALXXVLZWSJAF-GFCCVEGCSA-N 0 1 293.370 3.758 20 0 CHADMN C[C@H]1CCCN(Cc2c(F)ccc(O)c2F)C[C@H]1C ZINC001233393912 1132616642 /nfs/dbraw/zinc/61/66/42/1132616642.db2.gz QWPCOPJSKDJUKN-WDEREUQCSA-N 0 1 269.335 3.538 20 0 CHADMN CCN(C)c1cc(C)nc(N[C@H](c2ccccc2)C2CC2)n1 ZINC001154638350 1132620121 /nfs/dbraw/zinc/62/01/21/1132620121.db2.gz VMYCIYBSXNZQAO-QGZVFWFLSA-N 0 1 296.418 3.804 20 0 CHADMN Clc1cccn2cc(CN3CC[C@@H]4CCC[C@H]4C3)nc12 ZINC001233420771 1132620305 /nfs/dbraw/zinc/62/03/05/1132620305.db2.gz XMJVDLFTEOVJDT-STQMWFEESA-N 0 1 289.810 3.610 20 0 CHADMN C[C@@H]1CCCN(Cc2cn3cccc(Cl)c3n2)C[C@H]1C ZINC001233420225 1132621126 /nfs/dbraw/zinc/62/11/26/1132621126.db2.gz DPZMELPSQVGQGO-CHWSQXEVSA-N 0 1 291.826 3.856 20 0 CHADMN Cc1cnc(N[C@@H](c2ccccc2)C2CC2)c(N)c1 ZINC001154645431 1132621206 /nfs/dbraw/zinc/62/12/06/1132621206.db2.gz NTDPYMQKDNZWRL-HNNXBMFYSA-N 0 1 253.349 3.535 20 0 CHADMN Cc1nc(-c2ccc(Nc3ccncc3)cc2)cs1 ZINC001173883174 1132623135 /nfs/dbraw/zinc/62/31/35/1132623135.db2.gz BAHMSRITNZEXGG-UHFFFAOYSA-N 0 1 267.357 3.679 20 0 CHADMN COc1ccccc1-c1ccc(Nc2ccncc2)cc1 ZINC001173883541 1132623220 /nfs/dbraw/zinc/62/32/20/1132623220.db2.gz MCFJGDFNAFBYKD-UHFFFAOYSA-N 0 1 276.339 3.923 20 0 CHADMN Nc1cc(C(F)(F)F)cc(Cl)c1Nc1ccncc1 ZINC001173882473 1132623428 /nfs/dbraw/zinc/62/34/28/1132623428.db2.gz MHIRCPLNIXEOFH-UHFFFAOYSA-N 0 1 287.672 3.502 20 0 CHADMN FC(F)(F)c1cccc2cc(Nc3ccncc3)cnc21 ZINC001173881466 1132623578 /nfs/dbraw/zinc/62/35/78/1132623578.db2.gz USTSFTPITQKKRA-UHFFFAOYSA-N 0 1 289.260 3.814 20 0 CHADMN Cc1ncc(CNc2nccc3cccc(C)c32)s1 ZINC001154797638 1132624193 /nfs/dbraw/zinc/62/41/93/1132624193.db2.gz DNDQMYZGYRAPAY-UHFFFAOYSA-N 0 1 269.373 3.920 20 0 CHADMN Cc1ccc(Nc2ccncc2)cc1NC(=O)OC(C)(C)C ZINC001173885089 1132625463 /nfs/dbraw/zinc/62/54/63/1132625463.db2.gz ILOWLPNSOUVFAO-UHFFFAOYSA-N 0 1 299.374 3.903 20 0 CHADMN CN(C(=O)OC(C)(C)C)c1cccc(Nc2ccncc2)c1 ZINC001173884192 1132625828 /nfs/dbraw/zinc/62/58/28/1132625828.db2.gz BHRFRBINEAYIAS-UHFFFAOYSA-N 0 1 299.374 3.618 20 0 CHADMN FC(F)(F)c1nc2cc(Nc3ccncc3)ccc2s1 ZINC001173884532 1132625976 /nfs/dbraw/zinc/62/59/76/1132625976.db2.gz SNJFRLBYRLLTOA-UHFFFAOYSA-N 0 1 295.289 3.876 20 0 CHADMN Cc1cccc2ccnc(NCCC3CCOCC3)c12 ZINC001154851005 1132628385 /nfs/dbraw/zinc/62/83/85/1132628385.db2.gz YUGMJPYQJGOLLJ-UHFFFAOYSA-N 0 1 270.376 3.772 20 0 CHADMN CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCN2C(C)(C)C)CC1 ZINC001154886688 1132629749 /nfs/dbraw/zinc/62/97/49/1132629749.db2.gz VYHMBGSELRQNAM-BZUAXINKSA-N 0 1 294.483 3.580 20 0 CHADMN C[C@@H]1CCC[C@]1(C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC001155070886 1132639254 /nfs/dbraw/zinc/63/92/54/1132639254.db2.gz ZNYYOWJWLORFLI-CLAHSXSESA-N 0 1 285.746 3.950 20 0 CHADMN O=c1cc(Cl)c(O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n[nH]1 ZINC001233585255 1132642427 /nfs/dbraw/zinc/64/24/27/1132642427.db2.gz BXCPVJZKNVESAJ-HBNTYKKESA-N 0 1 282.771 3.573 20 0 CHADMN CC(=O)c1sccc1Nc1ccccc1CN(C)C ZINC001173930028 1132642515 /nfs/dbraw/zinc/64/25/15/1132642515.db2.gz MFXSUFKWIAFWPW-UHFFFAOYSA-N 0 1 274.389 3.756 20 0 CHADMN CCC[C@@H](Oc1n[nH]c(=O)cc1Cl)c1ccccc1 ZINC001233589808 1132643559 /nfs/dbraw/zinc/64/35/59/1132643559.db2.gz MWYSCTOYHUNEMA-GFCCVEGCSA-N 0 1 278.739 3.756 20 0 CHADMN O=c1cc(Cl)c(O[C@@H]2CCc3ccc(Cl)cc32)n[nH]1 ZINC001233589114 1132644316 /nfs/dbraw/zinc/64/43/16/1132644316.db2.gz IMWAHGYCNWNBMQ-LLVKDONJSA-N 0 1 297.141 3.555 20 0 CHADMN CN(C)Cc1ccccc1Nc1cccc2c1CCC2=O ZINC001173931934 1132644414 /nfs/dbraw/zinc/64/44/14/1132644414.db2.gz NFXPHTQCJUGTHS-UHFFFAOYSA-N 0 1 280.371 3.621 20 0 CHADMN Clc1cccc2nc(CN3CCC[C@@H]4CCC[C@@H]43)cn21 ZINC001233600319 1132646108 /nfs/dbraw/zinc/64/61/08/1132646108.db2.gz VOKFLWCKCYJIOU-JSGCOSHPSA-N 0 1 289.810 3.752 20 0 CHADMN CC(C)(C)N1CC(Oc2cccc3ncc(Cl)cc32)C1 ZINC001233638901 1132653357 /nfs/dbraw/zinc/65/33/57/1132653357.db2.gz IPVZCABIYILQAJ-UHFFFAOYSA-N 0 1 290.794 3.750 20 0 CHADMN Cc1cc(Nc2cc(F)ccc2F)n(-c2ccncc2)n1 ZINC001173949715 1132657305 /nfs/dbraw/zinc/65/73/05/1132657305.db2.gz KUPGNUQGRZKLJR-UHFFFAOYSA-N 0 1 286.285 3.598 20 0 CHADMN O=c1ccn(-c2ccc(Nc3cc(F)ccc3F)cc2)[nH]1 ZINC001173951780 1132659035 /nfs/dbraw/zinc/65/90/35/1132659035.db2.gz XGZGXXVRZLSLSS-UHFFFAOYSA-N 0 1 287.269 3.600 20 0 CHADMN CC[C@H](C)C1CCC(NC(=O)c2cccc3cncn32)CC1 ZINC001155799330 1132666137 /nfs/dbraw/zinc/66/61/37/1132666137.db2.gz FOKKOALZBGSNID-NFOMZHRRSA-N 0 1 299.418 3.669 20 0 CHADMN Cc1ccc(NCc2cc3ccccc3n2C)nc1C ZINC001156014806 1132676411 /nfs/dbraw/zinc/67/64/11/1132676411.db2.gz KAVPUZZOQXYSGN-UHFFFAOYSA-N 0 1 265.360 3.802 20 0 CHADMN COc1cccc(C)c1NC(=O)c1ccc(Cl)c(O)c1 ZINC001156074350 1132680414 /nfs/dbraw/zinc/68/04/14/1132680414.db2.gz OEHVHFVJTPTRQV-UHFFFAOYSA-N 0 1 291.734 3.615 20 0 CHADMN FC[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1C(F)(F)F ZINC001203377209 1132692167 /nfs/dbraw/zinc/69/21/67/1132692167.db2.gz LFIYUJWHOZPNAT-GHMZBOCLSA-N 0 1 295.707 3.920 20 0 CHADMN COc1ccc(Nc2cnc3cccc(C)n23)c(C)c1 ZINC001174022245 1132695657 /nfs/dbraw/zinc/69/56/57/1132695657.db2.gz ODGBWRYLTSPXTQ-UHFFFAOYSA-N 0 1 267.332 3.703 20 0 CHADMN CCOc1ccnc(NCc2ccccc2C2CC2)c1 ZINC001156542491 1132705001 /nfs/dbraw/zinc/70/50/01/1132705001.db2.gz XWYZMDSOUHUVAY-UHFFFAOYSA-N 0 1 268.360 3.970 20 0 CHADMN COCc1cccc(Nc2c(C)nc3ccc(F)cn32)c1 ZINC001174094581 1132711515 /nfs/dbraw/zinc/71/15/15/1132711515.db2.gz SORVEMDJJZVYHU-UHFFFAOYSA-N 0 1 285.322 3.672 20 0 CHADMN COc1ccnc(N2CCC[C@@H]2c2c(F)cccc2F)c1 ZINC001156928782 1132715595 /nfs/dbraw/zinc/71/55/95/1132715595.db2.gz VGYIBDTUQRSBAC-CQSZACIVSA-N 0 1 290.313 3.710 20 0 CHADMN Cc1cc(Cl)c(C)nc1N(C(=N)N)c1ccc(F)cc1 ZINC001157230078 1132725081 /nfs/dbraw/zinc/72/50/81/1132725081.db2.gz VTYSLWNQWDWQMU-UHFFFAOYSA-N 0 1 292.745 3.523 20 0 CHADMN Cc1ccc(N2CCc3c([nH]nc3C(F)(F)F)C2)nc1C ZINC001157341564 1132727563 /nfs/dbraw/zinc/72/75/63/1132727563.db2.gz FZJRVNCLMHZMLR-CYBMUJFWSA-N 0 1 296.296 3.559 20 0 CHADMN O=C(CCc1ccc(Cl)cc1)Nc1ccc2cncn2c1 ZINC001157388522 1132731330 /nfs/dbraw/zinc/73/13/30/1132731330.db2.gz HLHNSTHBAHIQJA-UHFFFAOYSA-N 0 1 299.761 3.559 20 0 CHADMN Cc1cccc(C2(Nc3cc(OC(C)C)ccn3)COC2)c1 ZINC001157676850 1132738433 /nfs/dbraw/zinc/73/84/33/1132738433.db2.gz OKNIDYMZRYVUCI-UHFFFAOYSA-N 0 1 298.386 3.515 20 0 CHADMN COc1cc2cnc(NC(C3CC3)C3CC3)cc2cc1OC ZINC001157921460 1132756625 /nfs/dbraw/zinc/75/66/25/1132756625.db2.gz MIXAOBFBRHSSCI-UHFFFAOYSA-N 0 1 298.386 3.853 20 0 CHADMN c1cn2cc(Nc3ccc(-c4ccccn4)nc3)ccc2n1 ZINC001174279209 1132769073 /nfs/dbraw/zinc/76/90/73/1132769073.db2.gz XJCIFQZZSFFLIR-UHFFFAOYSA-N 0 1 287.326 3.535 20 0 CHADMN Cc1cc(F)c(F)cc1Nc1ccc2nccn2c1 ZINC001174279280 1132769495 /nfs/dbraw/zinc/76/94/95/1132769495.db2.gz RISDCCWVNAYWDJ-UHFFFAOYSA-N 0 1 259.259 3.665 20 0 CHADMN CC(=O)c1cc(C)ccc1Nc1ccc2nccn2c1 ZINC001174279776 1132770391 /nfs/dbraw/zinc/77/03/91/1132770391.db2.gz HPRIPMLQDFRIMI-UHFFFAOYSA-N 0 1 265.316 3.589 20 0 CHADMN COc1ccnc(N[C@@H]2C[C@H](C)c3ccccc32)c1 ZINC001158466460 1132776689 /nfs/dbraw/zinc/77/66/89/1132776689.db2.gz GCCZRGATXUUIRH-XHDPSFHLSA-N 0 1 254.333 3.751 20 0 CHADMN CCOc1ccc(Nc2ccc3nccn3c2)c(F)c1 ZINC001174277904 1132785731 /nfs/dbraw/zinc/78/57/31/1132785731.db2.gz MYTJCOQRLYFHAD-UHFFFAOYSA-N 0 1 271.295 3.616 20 0 CHADMN FC(F)(F)Oc1ccccc1Nc1ccc2nccn2c1 ZINC001174276841 1132786458 /nfs/dbraw/zinc/78/64/58/1132786458.db2.gz RZHURIGANQLBRQ-UHFFFAOYSA-N 0 1 293.248 3.977 20 0 CHADMN FC(F)Oc1ccccc1Nc1ccc2nccn2c1 ZINC001174279032 1132787393 /nfs/dbraw/zinc/78/73/93/1132787393.db2.gz LJCYZUAJWMBRIC-UHFFFAOYSA-N 0 1 275.258 3.679 20 0 CHADMN O=C(Nc1cccc2[nH]nnc21)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC001158816560 1132793577 /nfs/dbraw/zinc/79/35/77/1132793577.db2.gz FLQSILOFWBFVMI-JHJVBQTASA-N 0 1 298.390 3.503 20 0 CHADMN COc1ccnc(NCc2ccc(-c3ccccn3)cc2)c1 ZINC001158907218 1132797596 /nfs/dbraw/zinc/79/75/96/1132797596.db2.gz UKPOQXVDPIUJFX-UHFFFAOYSA-N 0 1 291.354 3.764 20 0 CHADMN Fc1ccc(-n2nccc2Nc2cccc3[nH]ncc32)cc1 ZINC001174342506 1132799491 /nfs/dbraw/zinc/79/94/91/1132799491.db2.gz AVKFKLBUXZJEKY-UHFFFAOYSA-N 0 1 293.305 3.631 20 0 CHADMN Fc1cc(Nc2cccc3[nH]ncc32)c(Cl)c(F)n1 ZINC001174342705 1132800292 /nfs/dbraw/zinc/80/02/92/1132800292.db2.gz DWJHUDKFBZRRBJ-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN Cc1nc2cc(Nc3cccc4[nH]ncc43)ccc2o1 ZINC001174344313 1132801596 /nfs/dbraw/zinc/80/15/96/1132801596.db2.gz ULIZVUOMRNUGIZ-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN CCCc1ccnc(Nc2cccc3[nH]ncc32)c1 ZINC001174344488 1132802286 /nfs/dbraw/zinc/80/22/86/1132802286.db2.gz CRIVIUJKNOMPCJ-UHFFFAOYSA-N 0 1 252.321 3.654 20 0 CHADMN FC(F)(F)c1ccc(Nc2cccc3[nH]ncc32)nc1 ZINC001174342986 1132802639 /nfs/dbraw/zinc/80/26/39/1132802639.db2.gz YENXROOOPSMRSN-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN CC(C)c1ncsc1Nc1cccc2[nH]ncc21 ZINC001174344626 1132804283 /nfs/dbraw/zinc/80/42/83/1132804283.db2.gz JVDDQNOSVOXKBD-UHFFFAOYSA-N 0 1 258.350 3.886 20 0 CHADMN Fc1cnc2c(cccc2Nc2cccc3[nH]ncc32)c1 ZINC001174345152 1132804305 /nfs/dbraw/zinc/80/43/05/1132804305.db2.gz KYMDJPSWBBYTJN-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Cc1nc(-c2ccc(Nc3cccc4[nH]ncc43)cc2)no1 ZINC001174345856 1132804466 /nfs/dbraw/zinc/80/44/66/1132804466.db2.gz XQEXHPXYNPATTP-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN CC(=O)c1cc(F)ccc1Nc1cccc2[nH]ncc21 ZINC001174345563 1132804620 /nfs/dbraw/zinc/80/46/20/1132804620.db2.gz GRHQMZOIESCVBB-UHFFFAOYSA-N 0 1 269.279 3.648 20 0 CHADMN Cc1cc(Nc2cccc3[nH]ncc32)cc2snnc21 ZINC001174344990 1132804810 /nfs/dbraw/zinc/80/48/10/1132804810.db2.gz IPFRGLQKOGBLEC-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN c1n[nH]c2cccc(Nc3cccc4cccnc43)c12 ZINC001174344681 1132804867 /nfs/dbraw/zinc/80/48/67/1132804867.db2.gz NDZVIJPYOLBQGS-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc4cc(N)ccc4c3)c2c1 ZINC001159131812 1132810247 /nfs/dbraw/zinc/81/02/47/1132810247.db2.gz ZYUFINNNIILBPZ-UHFFFAOYSA-N 0 1 288.354 3.652 20 0 CHADMN Oc1ccc(F)cc1NC1=CCCN(Cc2ccccc2)C1 ZINC001174396153 1132812932 /nfs/dbraw/zinc/81/29/32/1132812932.db2.gz DVEBOIBOCGEZLY-UHFFFAOYSA-N 0 1 298.361 3.733 20 0 CHADMN CCOc1cccc(Nc2cc([C@@H]3CCCCN3)no2)c1 ZINC001159308136 1132827719 /nfs/dbraw/zinc/82/77/19/1132827719.db2.gz HGULVDGRUNGKAM-AWEZNQCLSA-N 0 1 287.363 3.632 20 0 CHADMN CCc1ccc(Nc2cc([C@H]3CCCCN3)no2)cc1 ZINC001159308515 1132828299 /nfs/dbraw/zinc/82/82/99/1132828299.db2.gz JMCKFONOAKLFAQ-CQSZACIVSA-N 0 1 271.364 3.795 20 0 CHADMN Cc1ccc(Nc2cc([C@H]3CCCCN3)no2)c(F)c1 ZINC001159307911 1132828334 /nfs/dbraw/zinc/82/83/34/1132828334.db2.gz FWRHYIGJUVGNHP-CYBMUJFWSA-N 0 1 275.327 3.680 20 0 CHADMN Fc1nc(Nc2ccc3cn[nH]c3c2)c(F)c(Cl)c1F ZINC001174499185 1132864347 /nfs/dbraw/zinc/86/43/47/1132864347.db2.gz PQFUVQYOKVMCHU-UHFFFAOYSA-N 0 1 298.655 3.772 20 0 CHADMN CCOc1cc(Nc2cccc3[nH]ncc32)c(F)cc1F ZINC001159575307 1132864961 /nfs/dbraw/zinc/86/49/61/1132864961.db2.gz WAWUVYRYFICIOU-UHFFFAOYSA-N 0 1 289.285 3.983 20 0 CHADMN O=c1[nH]cc(Nc2ccc3c[nH]nc3c2)c2ccccc12 ZINC001174498021 1132865193 /nfs/dbraw/zinc/86/51/93/1132865193.db2.gz QAZQBWBMJLVODA-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN Cc1cc(Nc2ccc3c[nH]nc3c2)n(-c2ccccc2)n1 ZINC001174499821 1132874234 /nfs/dbraw/zinc/87/42/34/1132874234.db2.gz YTOSRLSRQLOUCT-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1c(N)cccc1Cl ZINC001159615689 1132876457 /nfs/dbraw/zinc/87/64/57/1132876457.db2.gz FLUSQNZSLCCRHJ-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Nc1cccc(Cl)c1Nc1cncn1Cc1ccccc1 ZINC001159623231 1132878087 /nfs/dbraw/zinc/87/80/87/1132878087.db2.gz CSPBVDRZQBSEMO-UHFFFAOYSA-N 0 1 298.777 3.911 20 0 CHADMN CCOc1ccc(Nc2ccc3c[nH]nc3c2)c(F)c1F ZINC001159662149 1132884641 /nfs/dbraw/zinc/88/46/41/1132884641.db2.gz RMJNEQFDSDLMAM-UHFFFAOYSA-N 0 1 289.285 3.983 20 0 CHADMN Cc1ccc(N)c(Nc2ccc3c[nH]nc3c2)c1C ZINC001174500719 1132902615 /nfs/dbraw/zinc/90/26/15/1132902615.db2.gz VQDPXXNXOHGPJF-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN c1nsc2ccc(Nc3ccc4c[nH]nc4c3)cc12 ZINC001174501172 1132902952 /nfs/dbraw/zinc/90/29/52/1132902952.db2.gz GMJCWUGSIRWPDL-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN COc1ccc(C(C)=O)c(Nc2ccc3c[nH]nc3c2)c1 ZINC001174501277 1132903322 /nfs/dbraw/zinc/90/33/22/1132903322.db2.gz KHGWWPHXTVAUDJ-UHFFFAOYSA-N 0 1 281.315 3.518 20 0 CHADMN COc1cccc(Nc2ccc3c[nH]nc3c2)c1Cl ZINC001174502109 1132903912 /nfs/dbraw/zinc/90/39/12/1132903912.db2.gz SZBZPBVQJUFONJ-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN COc1c(F)cc(Nc2ccc3c[nH]nc3c2)cc1F ZINC001174502257 1132904214 /nfs/dbraw/zinc/90/42/14/1132904214.db2.gz XHKCNYPMCCOPLK-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN CN1CCCc2ccc(Nc3ccc4c[nH]nc4c3)cc21 ZINC001174502328 1132904722 /nfs/dbraw/zinc/90/47/22/1132904722.db2.gz ZIJQIIMUWVTZPY-UHFFFAOYSA-N 0 1 278.359 3.689 20 0 CHADMN Cc1c(Cl)cc(NC2=CCC[NH2+]CC2)c([O-])c1Cl ZINC001159789633 1132909375 /nfs/dbraw/zinc/90/93/75/1132909375.db2.gz DMYKORXUIWXZKS-UHFFFAOYSA-N 0 1 287.190 3.687 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2sc(N)nc2c1 ZINC001160006345 1132934019 /nfs/dbraw/zinc/93/40/19/1132934019.db2.gz SQUKQXJBQKTBEG-UHFFFAOYSA-N 0 1 295.371 3.807 20 0 CHADMN Cc1ccc(Nc2ccccc2N2CCN(C)CC2)cc1C ZINC001174633393 1132934921 /nfs/dbraw/zinc/93/49/21/1132934921.db2.gz WDHZNIFLSPBHIS-UHFFFAOYSA-N 0 1 295.430 3.799 20 0 CHADMN CC[C@@H](C)C[C@H](C)NC(=O)c1cc2c(Cl)[nH]ccc-2n1 ZINC001174600198 1132939279 /nfs/dbraw/zinc/93/92/79/1132939279.db2.gz HNLRSEKPYYHEPA-ZJUUUORDSA-N 0 1 293.798 3.771 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(Cl)cc1N ZINC001160263750 1132953503 /nfs/dbraw/zinc/95/35/03/1132953503.db2.gz FSRQUSQVCFVHHQ-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1ccc(N)c(Nc2cncn2Cc2ccccc2)c1 ZINC001160338734 1132965512 /nfs/dbraw/zinc/96/55/12/1132965512.db2.gz YSFXEQPDQNMQLB-UHFFFAOYSA-N 0 1 278.359 3.566 20 0 CHADMN C[C@@H]1CN(CC[C@H]2CCCC2(F)F)C[C@@](C)(C(F)F)O1 ZINC001174726031 1132966833 /nfs/dbraw/zinc/96/68/33/1132966833.db2.gz RYDPULFEBDRPNK-WZRBSPASSA-N 0 1 297.336 3.556 20 0 CHADMN Cc1cnc(N[C@H](CC(C)C)c2ccccn2)c(N)c1 ZINC001160486330 1132972826 /nfs/dbraw/zinc/97/28/26/1132972826.db2.gz OQNUGDCZTRQBHZ-OAHLLOKOSA-N 0 1 270.380 3.567 20 0 CHADMN Cc1ccc(NCCc2c[nH]c3ccccc23)nc1C ZINC001160776398 1132980644 /nfs/dbraw/zinc/98/06/44/1132980644.db2.gz ZPASKERPCXHAAY-UHFFFAOYSA-N 0 1 265.360 3.834 20 0 CHADMN Cc1oc2ccccc2c1CNC(=O)c1ccc(F)cc1O ZINC001161119834 1132994620 /nfs/dbraw/zinc/99/46/20/1132994620.db2.gz QADLCHAYLFFONR-UHFFFAOYSA-N 0 1 299.301 3.516 20 0 CHADMN Cc1ccccc1CNc1ncnc2[nH]c(C(C)(C)C)nc21 ZINC001161621279 1133010939 /nfs/dbraw/zinc/01/09/39/1133010939.db2.gz XOFNTYXQUCJNFK-UHFFFAOYSA-N 0 1 295.390 3.571 20 0 CHADMN Cc1ccccc1CNc1cc2nc[nH]c2cc1F ZINC001161624388 1133011402 /nfs/dbraw/zinc/01/14/02/1133011402.db2.gz YVTSBJICOMJYTF-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN CCC[C@H]1CCCC[C@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC001161843404 1133035191 /nfs/dbraw/zinc/03/51/91/1133035191.db2.gz GVTLCJXNLXLCOW-KBPBESRZSA-N 0 1 299.418 3.899 20 0 CHADMN Cc1nc2cncc(N[C@@H](c3ccccc3)C3CC3)c2[nH]1 ZINC001161963094 1133043210 /nfs/dbraw/zinc/04/32/10/1133043210.db2.gz UNQFXDZXCGXXFD-INIZCTEOSA-N 0 1 278.359 3.830 20 0 CHADMN c1ncn2cccc(N[C@@H](c3ccccc3)C3CC3)c12 ZINC001161962648 1133043456 /nfs/dbraw/zinc/04/34/56/1133043456.db2.gz OMINNMQRPZRAMY-KRWDZBQOSA-N 0 1 263.344 3.898 20 0 CHADMN FC(F)Oc1cccc(CNc2cccn3cncc23)c1 ZINC001161990316 1133047017 /nfs/dbraw/zinc/04/70/17/1133047017.db2.gz DOSOLPZMHUMFCV-UHFFFAOYSA-N 0 1 289.285 3.548 20 0 CHADMN Cc1ccc(C)c(NCc2ccc3c(ccn3C)c2)n1 ZINC001162165748 1133056333 /nfs/dbraw/zinc/05/63/33/1133056333.db2.gz KDJHAUIWWFSEFB-UHFFFAOYSA-N 0 1 265.360 3.802 20 0 CHADMN C[C@@H]1CCC[C@@H](CNc2ccncc2C(F)(F)F)C1 ZINC001162266528 1133065586 /nfs/dbraw/zinc/06/55/86/1133065586.db2.gz DTFOVXSUTOURTI-GHMZBOCLSA-N 0 1 272.314 3.761 20 0 CHADMN Cc1cnc(N[C@@H]2CCOc3c(F)cc(F)cc32)c(C)c1 ZINC001162405151 1133076113 /nfs/dbraw/zinc/07/61/13/1133076113.db2.gz CDIPKDWBGWSXHV-CQSZACIVSA-N 0 1 290.313 3.912 20 0 CHADMN Cc1nc2cncc(NC[C@H]3CCCC[C@@H]3C)c2[nH]1 ZINC001162529459 1133089020 /nfs/dbraw/zinc/08/90/20/1133089020.db2.gz ALGHOPBJXNRTHH-CMPLNLGQSA-N 0 1 258.369 3.505 20 0 CHADMN Cc1cc2cc[nH]c2c(NC[C@H]2CCC(F)(F)C2)n1 ZINC001162642938 1133097929 /nfs/dbraw/zinc/09/79/29/1133097929.db2.gz YZMHMENDEJIIQN-JTQLQIEISA-N 0 1 265.307 3.719 20 0 CHADMN Cc1cnc(NCc2ccnc(C(F)(F)F)c2)c(C)c1 ZINC001162735461 1133107157 /nfs/dbraw/zinc/10/71/57/1133107157.db2.gz UKKZWMJUKZARIO-UHFFFAOYSA-N 0 1 281.281 3.724 20 0 CHADMN Cc1ccc(NCc2cncc3ccccc32)nc1C ZINC001162747351 1133107832 /nfs/dbraw/zinc/10/78/32/1133107832.db2.gz HPPVEWMNUKDLRI-UHFFFAOYSA-N 0 1 263.344 3.859 20 0 CHADMN Cc1nc2cnc(N[C@H]3CC[C@@H](C(C)(C)C)CC3)nc2[nH]1 ZINC001162869081 1133118364 /nfs/dbraw/zinc/11/83/64/1133118364.db2.gz GHKWCAKMTVFRSK-TXEJJXNPSA-N 0 1 287.411 3.630 20 0 CHADMN CS[C@@H](CNc1ccncc1C(F)(F)F)C(C)(C)C ZINC001163031031 1133126887 /nfs/dbraw/zinc/12/68/87/1133126887.db2.gz LWECGPOSDZSEGG-NSHDSACASA-N 0 1 292.370 3.712 20 0 CHADMN Cc1ccc(N[C@H](c2cccnc2)C(C)C)nc1C ZINC001163058987 1133127516 /nfs/dbraw/zinc/12/75/16/1133127516.db2.gz AOCPWPAVQIQMQH-INIZCTEOSA-N 0 1 255.365 3.903 20 0 CHADMN Cc1cnc(N[C@@H](c2ccccc2)c2cccnn2)cc1C ZINC001163108911 1133130929 /nfs/dbraw/zinc/13/09/29/1133130929.db2.gz NPIRTDAOQLOTAY-SFHVURJKSA-N 0 1 290.370 3.690 20 0 CHADMN FC(F)(F)c1cnccc1N1CCC=C(c2ccco2)C1 ZINC001163274012 1133140703 /nfs/dbraw/zinc/14/07/03/1133140703.db2.gz XMCRXISTTIJPNR-UHFFFAOYSA-N 0 1 294.276 3.987 20 0 CHADMN COc1cnccc1[C@@H](Nc1ccc(C)c(C)n1)C1CC1 ZINC001163398975 1133147825 /nfs/dbraw/zinc/14/78/25/1133147825.db2.gz ZWCCYCHBSBBETB-KRWDZBQOSA-N 0 1 283.375 3.665 20 0 CHADMN CCOc1cccc(CCNc2ccc3[nH]c(C)nc3c2)c1 ZINC001163709249 1133167148 /nfs/dbraw/zinc/16/71/48/1133167148.db2.gz RYLQXQFABYNKAC-UHFFFAOYSA-N 0 1 295.386 3.925 20 0 CHADMN CCOc1cccc(CCNc2ccnc3c2ccn3C)c1 ZINC001163713550 1133167303 /nfs/dbraw/zinc/16/73/03/1133167303.db2.gz ABJLSYFEIMNCTD-UHFFFAOYSA-N 0 1 295.386 3.627 20 0 CHADMN CCOc1cccc(CCNc2nccc(C)c2C)c1 ZINC001163712293 1133167687 /nfs/dbraw/zinc/16/76/87/1133167687.db2.gz MCLZTNRTUDAXBI-UHFFFAOYSA-N 0 1 270.376 3.752 20 0 CHADMN Cc1cccnc1NC(=N)C12CC3CC(CC(C3)C1)C2 ZINC001163838882 1133178200 /nfs/dbraw/zinc/17/82/00/1133178200.db2.gz DLEHFSQYJGOECD-UHFFFAOYSA-N 0 1 269.392 3.996 20 0 CHADMN N=C(Nc1nccc2nc[nH]c21)C12CC3CC(CC(C3)C1)C2 ZINC001163841031 1133178353 /nfs/dbraw/zinc/17/83/53/1133178353.db2.gz KEXFHLCMGRRPEL-UHFFFAOYSA-N 0 1 295.390 3.563 20 0 CHADMN N=C(Nc1cncnc1C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC001163847731 1133178889 /nfs/dbraw/zinc/17/88/89/1133178889.db2.gz CXFSPTDKSIJQIE-UHFFFAOYSA-N 0 1 296.418 3.960 20 0 CHADMN Cc1ccccc1OCCCNc1cn2ccnc2cc1C ZINC001163975693 1133189937 /nfs/dbraw/zinc/18/99/37/1133189937.db2.gz YTDLRRFXJWJYGX-UHFFFAOYSA-N 0 1 295.386 3.832 20 0 CHADMN C[C@H](Nc1cnc2n[nH]nc2c1)c1ccc2ccccc2c1 ZINC001164143716 1133200259 /nfs/dbraw/zinc/20/02/59/1133200259.db2.gz QBYMSPJCKXFCEG-NSHDSACASA-N 0 1 289.342 3.679 20 0 CHADMN CCc1ccc(CN2CCc3c(C)cccc3C2)o1 ZINC001204389856 1133216227 /nfs/dbraw/zinc/21/62/27/1133216227.db2.gz VMVKLPAPOCLSMC-UHFFFAOYSA-N 0 1 255.361 3.709 20 0 CHADMN Cc1cc2ccccc2c(N2CCC3(C[C@H]3CCO)CC2)n1 ZINC001165261776 1133233131 /nfs/dbraw/zinc/23/31/31/1133233131.db2.gz TUKXJHKRVJIETL-MRXNPFEDSA-N 0 1 296.414 3.532 20 0 CHADMN CC(C)(C)c1n[nH]c(S[C@H]2CCC(C)(C)C2)n1 ZINC001165488138 1133243563 /nfs/dbraw/zinc/24/35/63/1133243563.db2.gz MNIRSUIWRFVBBD-VIFPVBQESA-N 0 1 253.415 3.773 20 0 CHADMN CC(C)(C)c1nc(S[C@H]2CCC(C)(C)C2)n[nH]1 ZINC001165488138 1133243570 /nfs/dbraw/zinc/24/35/70/1133243570.db2.gz MNIRSUIWRFVBBD-VIFPVBQESA-N 0 1 253.415 3.773 20 0 CHADMN CCc1ccccc1[C@@H]1C[C@H]1C(=O)NOc1ccc(F)cc1 ZINC001165800690 1133251701 /nfs/dbraw/zinc/25/17/01/1133251701.db2.gz NZGODQHHJHQSBC-DLBZAZTESA-N 0 1 299.345 3.602 20 0 CHADMN COC(C)(C)CNc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001165853488 1133253930 /nfs/dbraw/zinc/25/39/30/1133253930.db2.gz RASBHPURMPUARX-UHFFFAOYSA-N 0 1 269.348 3.553 20 0 CHADMN COc1ccc2c(ccnc2N2CCC[C@@H](C(F)F)C2)c1 ZINC001166771818 1133285398 /nfs/dbraw/zinc/28/53/98/1133285398.db2.gz MRGCPGLNGKLRAN-GFCCVEGCSA-N 0 1 292.329 3.725 20 0 CHADMN CCO[C@H]1CCC[C@@H](NCC(F)(F)C(C)(C)C)C1 ZINC001203214159 1133305505 /nfs/dbraw/zinc/30/55/05/1133305505.db2.gz CLBUDJANVJFMIY-NEPJUHHUSA-N 0 1 263.372 3.605 20 0 CHADMN CCCCC1CCN(Cc2cc(CC)no2)CC1 ZINC001203219633 1133306923 /nfs/dbraw/zinc/30/69/23/1133306923.db2.gz VZHMOMUCNFMRSO-UHFFFAOYSA-N 0 1 250.386 3.639 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1ccccc1F)C2 ZINC001203359594 1133316999 /nfs/dbraw/zinc/31/69/99/1133316999.db2.gz GMBTXCQCBFJAFL-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN C[C@H]1CN(Cc2ccccc2F)CCN1Cc1ccccc1 ZINC001203357355 1133317620 /nfs/dbraw/zinc/31/76/20/1133317620.db2.gz MRCRQNLDIGVHNQ-INIZCTEOSA-N 0 1 298.405 3.532 20 0 CHADMN Cc1ccnn1C1CCN(Cc2ccccc2Cl)CC1 ZINC001203388186 1133321707 /nfs/dbraw/zinc/32/17/07/1133321707.db2.gz MNANBKQHUKJVGL-UHFFFAOYSA-N 0 1 289.810 3.682 20 0 CHADMN COc1ccccc1CN1CCc2ccc(C)cc2C1 ZINC001203425993 1133327040 /nfs/dbraw/zinc/32/70/40/1133327040.db2.gz XEKKCDABSLIPOO-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN COc1cccc(CN2CCc3ccc(C)cc3C2)c1OC ZINC001203439643 1133328091 /nfs/dbraw/zinc/32/80/91/1133328091.db2.gz QHSDETVHUNFYQM-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccnn1C1CCC1 ZINC001203525001 1133335658 /nfs/dbraw/zinc/33/56/58/1133335658.db2.gz LWWOPXSGGKHMRF-UHFFFAOYSA-N 0 1 294.358 3.909 20 0 CHADMN COc1ccc(OC)c(CN2Cc3ccccc3C[C@H]2C)c1 ZINC001203531492 1133336636 /nfs/dbraw/zinc/33/66/36/1133336636.db2.gz AZJPDSIVKOETPY-CQSZACIVSA-N 0 1 297.398 3.651 20 0 CHADMN Cc1ccc(C)c(CNCc2noc3ccccc23)c1 ZINC001203652352 1133347297 /nfs/dbraw/zinc/34/72/97/1133347297.db2.gz SSPBEYOKZNKHOK-UHFFFAOYSA-N 0 1 266.344 3.734 20 0 CHADMN C[C@]1(CF)CCN(Cc2ccccc2C(F)(F)F)C1 ZINC001203686761 1133353286 /nfs/dbraw/zinc/35/32/86/1133353286.db2.gz IRQUJNQLKYCPRV-CYBMUJFWSA-N 0 1 275.289 3.887 20 0 CHADMN Cc1ccc(CN2CCc3cc4c(cc3C2)OCO4)c(C)c1 ZINC001203730303 1133360894 /nfs/dbraw/zinc/36/08/94/1133360894.db2.gz ZJNARQNVGQLSJZ-UHFFFAOYSA-N 0 1 295.382 3.590 20 0 CHADMN CC(C)(/C=C/Cl)NCc1cc2ccc(F)cc2[nH]c1=O ZINC001203734816 1133362790 /nfs/dbraw/zinc/36/27/90/1133362790.db2.gz XFFULVGEMJTJMW-AATRIKPKSA-N 0 1 294.757 3.700 20 0 CHADMN Cc1ccc(C)c(CN2CC3(C2)CC(F)(F)CS3)c1 ZINC001203751203 1133365629 /nfs/dbraw/zinc/36/56/29/1133365629.db2.gz AKMJDNWDTSXDKX-UHFFFAOYSA-N 0 1 283.387 3.630 20 0 CHADMN Brc1cccc(CN2CCCC23CC3)c1 ZINC001203764788 1133367464 /nfs/dbraw/zinc/36/74/64/1133367464.db2.gz MFGVWBZWIARYBA-UHFFFAOYSA-N 0 1 266.182 3.578 20 0 CHADMN COc1ccc(CN2CCc3ccccc3[C@@H]2C)cc1F ZINC001203790868 1133370181 /nfs/dbraw/zinc/37/01/81/1133370181.db2.gz WRDCKWSXGYKSBH-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN Clc1ccc(CN2C[C@H]3CC[C@@H]2C3)cc1Cl ZINC001203802248 1133371571 /nfs/dbraw/zinc/37/15/71/1133371571.db2.gz LMJNZLDBGXQOMZ-GXSJLCMTSA-N 0 1 256.176 3.978 20 0 CHADMN COc1cc(CN2Cc3ccccc3[C@@H](C)C2)cc(OC)c1 ZINC001203852944 1133375406 /nfs/dbraw/zinc/37/54/06/1133375406.db2.gz XWKMLFZUNMMRDG-AWEZNQCLSA-N 0 1 297.398 3.823 20 0 CHADMN COc1cc(CN2CC[C@H]2C)ccc1OCc1ccccc1 ZINC001203849394 1133375808 /nfs/dbraw/zinc/37/58/08/1133375808.db2.gz ZFXOGIONIAOIDJ-OAHLLOKOSA-N 0 1 297.398 3.868 20 0 CHADMN COc1cc(CN2CCc3ccccc3[C@H]2C)cc(OC)c1 ZINC001203855099 1133376180 /nfs/dbraw/zinc/37/61/80/1133376180.db2.gz RUXCHSGGYJZHMM-CQSZACIVSA-N 0 1 297.398 3.823 20 0 CHADMN Fc1ccc(CN2CCOC[C@@H]2C2CCCCC2)cc1 ZINC001203915155 1133382298 /nfs/dbraw/zinc/38/22/98/1133382298.db2.gz LKXMDAJWLWOBNL-QGZVFWFLSA-N 0 1 277.383 3.607 20 0 CHADMN CCn1ccc(CN[C@@H](c2ccc(OC)cc2)C2CCC2)n1 ZINC001203906594 1133382899 /nfs/dbraw/zinc/38/28/99/1133382899.db2.gz ICYDKVPLTFJCTN-GOSISDBHSA-N 0 1 299.418 3.543 20 0 CHADMN COc1ccc(-c2ccc(Nc3cncn3C)cc2)cc1 ZINC001203947665 1133388640 /nfs/dbraw/zinc/38/86/40/1133388640.db2.gz OOLKPESKRCZFIO-UHFFFAOYSA-N 0 1 279.343 3.839 20 0 CHADMN CCN(Cc1ccc[nH]1)Cc1cccc(Br)c1 ZINC001204009417 1133398514 /nfs/dbraw/zinc/39/85/14/1133398514.db2.gz XLGGFISTJCSEBL-UHFFFAOYSA-N 0 1 293.208 3.799 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1ccc(OC)c3ccccc13)C2 ZINC001203996836 1133395890 /nfs/dbraw/zinc/39/58/90/1133395890.db2.gz ZHEMZHDMYSWDBM-KXBFYZLASA-N 0 1 297.398 3.602 20 0 CHADMN c1ccc2cc(CN3CCc4ccncc4C3)ccc2c1 ZINC001204000978 1133398044 /nfs/dbraw/zinc/39/80/44/1133398044.db2.gz WMJHMONVXVBVEZ-UHFFFAOYSA-N 0 1 274.367 3.793 20 0 CHADMN Clc1ccc(O[C@@H]2CCCN(Cc3ccc[nH]3)C2)cc1 ZINC001204009448 1133399888 /nfs/dbraw/zinc/39/98/88/1133399888.db2.gz YJNKQWWHIOXSBF-MRXNPFEDSA-N 0 1 290.794 3.712 20 0 CHADMN Cc1cccnc1[C@H](C)NCc1cccc2c1CCC2 ZINC001204039536 1133402688 /nfs/dbraw/zinc/40/26/88/1133402688.db2.gz VSSWWTTUQZBXAW-AWEZNQCLSA-N 0 1 266.388 3.730 20 0 CHADMN CCOc1cc(CN2CCCC[C@@](C)(F)C2)ccc1O ZINC001204128307 1133409175 /nfs/dbraw/zinc/40/91/75/1133409175.db2.gz RWCFEWNGTXPYHG-MRXNPFEDSA-N 0 1 281.371 3.505 20 0 CHADMN CCOc1cc(CN2CCCC[C@](C)(F)C2)ccc1O ZINC001204128306 1133409499 /nfs/dbraw/zinc/40/94/99/1133409499.db2.gz RWCFEWNGTXPYHG-INIZCTEOSA-N 0 1 281.371 3.505 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1ccc(C(F)(F)F)cc1 ZINC001204159294 1133411621 /nfs/dbraw/zinc/41/16/21/1133411621.db2.gz IBNPBVCGGKEOSM-BXKDBHETSA-N 0 1 261.262 3.638 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC001204155306 1133412073 /nfs/dbraw/zinc/41/20/73/1133412073.db2.gz ZMVRBGNHBPXVRI-QGZVFWFLSA-N 0 1 299.345 3.861 20 0 CHADMN Fc1ccc(CN2CCC23CCCCC3)c(F)c1 ZINC001204206988 1133419593 /nfs/dbraw/zinc/41/95/93/1133419593.db2.gz BRKZHIDTNSWXHR-UHFFFAOYSA-N 0 1 251.320 3.873 20 0 CHADMN Fc1ccc(CN2CCC3(CC(F)C3)CC2)c(F)c1 ZINC001204209529 1133419695 /nfs/dbraw/zinc/41/96/95/1133419695.db2.gz UWBWTSUTUUZYRS-UHFFFAOYSA-N 0 1 269.310 3.679 20 0 CHADMN CC1(C)OCCC12CCN(Cc1cc(F)ccc1F)CC2 ZINC001204220932 1133421271 /nfs/dbraw/zinc/42/12/71/1133421271.db2.gz IMGZXKZNSOPCMJ-UHFFFAOYSA-N 0 1 295.373 3.746 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1cc(F)cc(F)c1 ZINC001204231096 1133423011 /nfs/dbraw/zinc/42/30/11/1133423011.db2.gz PTLOLGYURNQTSD-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN CC(C)C1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC001204231179 1133423183 /nfs/dbraw/zinc/42/31/83/1133423183.db2.gz UJDHKBCZQRCRQS-UHFFFAOYSA-N 0 1 253.336 3.833 20 0 CHADMN COc1ccc(CN2CC(c3ccccc3)C2)c(OC)c1C ZINC001204263848 1133427097 /nfs/dbraw/zinc/42/70/97/1133427097.db2.gz OWYXLIAOWPXYPS-UHFFFAOYSA-N 0 1 297.398 3.612 20 0 CHADMN COc1ccc(CN2CCCCC23CC3)c(OC)c1C ZINC001204264596 1133427220 /nfs/dbraw/zinc/42/72/20/1133427220.db2.gz SPMCELYUKIPJNU-UHFFFAOYSA-N 0 1 275.392 3.531 20 0 CHADMN CCc1ncc(CN2CCc3ccccc3[C@@H]2C(C)C)cn1 ZINC001204261906 1133427815 /nfs/dbraw/zinc/42/78/15/1133427815.db2.gz RLAIKDFGLQHWFF-IBGZPJMESA-N 0 1 295.430 3.794 20 0 CHADMN COCC[C@@H]1CCCCN1Cc1ccc(F)c(Cl)c1 ZINC001204284308 1133429157 /nfs/dbraw/zinc/42/91/57/1133429157.db2.gz JXECSKRPBLEUKD-ZDUSSCGKSA-N 0 1 285.790 3.870 20 0 CHADMN COc1cccc(C[N@@H+](C)Cc2cn(C)c3ccccc23)c1 ZINC001204320474 1133436527 /nfs/dbraw/zinc/43/65/27/1133436527.db2.gz ILHYJMZOXJTLQR-UHFFFAOYSA-N 0 1 294.398 3.819 20 0 CHADMN Cc1ccc(CN2CCOc3ccccc3C2)cc1C ZINC001204355039 1133440174 /nfs/dbraw/zinc/44/01/74/1133440174.db2.gz UFWZSMALPSDGLH-UHFFFAOYSA-N 0 1 267.372 3.698 20 0 CHADMN Cc1nc2c(s1)CN(Cc1ccc(C)c(C)c1)CC2 ZINC001204355118 1133440206 /nfs/dbraw/zinc/44/02/06/1133440206.db2.gz XTOXUENKDDDLGT-UHFFFAOYSA-N 0 1 272.417 3.627 20 0 CHADMN CC[C@@H](C)CN(CC)Cc1cccnc1Br ZINC001204402129 1133442418 /nfs/dbraw/zinc/44/24/18/1133442418.db2.gz NZTOKOKSQPOAHE-LLVKDONJSA-N 0 1 285.229 3.712 20 0 CHADMN FC(F)(F)Oc1ccccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001204430666 1133445233 /nfs/dbraw/zinc/44/52/33/1133445233.db2.gz HTYJEMVSRNNLOF-PWSUYJOCSA-N 0 1 271.282 3.570 20 0 CHADMN CN(Cc1cccc(OC(F)(F)F)c1)C1CC(F)(F)C1 ZINC001204428431 1133445467 /nfs/dbraw/zinc/44/54/67/1133445467.db2.gz GTACFNUXFGFZGN-UHFFFAOYSA-N 0 1 295.251 3.815 20 0 CHADMN Clc1ccc(CN2CC[C@@H](COCC3CC3)C2)s1 ZINC001204442124 1133447395 /nfs/dbraw/zinc/44/73/95/1133447395.db2.gz IJBOESWJLALKRW-GFCCVEGCSA-N 0 1 285.840 3.650 20 0 CHADMN CC(C)Oc1ccc(CN2CC3(C2)C[C@H](F)CS3)cc1 ZINC001204458257 1133449706 /nfs/dbraw/zinc/44/97/06/1133449706.db2.gz ZVAHFHSKBSGKKP-AWEZNQCLSA-N 0 1 295.423 3.503 20 0 CHADMN F[C@@H]1CCN(Cc2ccc3ccccc3n2)CCC1(F)F ZINC001204499612 1133453022 /nfs/dbraw/zinc/45/30/22/1133453022.db2.gz IHOLZXUKYCLZAO-OAHLLOKOSA-N 0 1 294.320 3.804 20 0 CHADMN Cc1c(F)cccc1CN1CC[C@@](CF)(C(F)(F)F)C1 ZINC001204508761 1133454914 /nfs/dbraw/zinc/45/49/14/1133454914.db2.gz RZNUKLODAXQSAD-ZDUSSCGKSA-N 0 1 293.279 3.858 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1cc(F)c(F)c(F)c1 ZINC001204527830 1133458170 /nfs/dbraw/zinc/45/81/70/1133458170.db2.gz ZVRJJQFDFWQVOB-NXEZZACHSA-N 0 1 257.299 3.867 20 0 CHADMN CCN(Cc1cccn1C(F)F)Cc1ccc(OC)cc1 ZINC001204526374 1133458202 /nfs/dbraw/zinc/45/82/02/1133458202.db2.gz YTNFOZLMLNHTLO-UHFFFAOYSA-N 0 1 294.345 3.914 20 0 CHADMN COc1cc(CN(C)Cc2ccsc2)ccc1F ZINC001204557927 1133463252 /nfs/dbraw/zinc/46/32/52/1133463252.db2.gz AYROZDYACJGLIU-UHFFFAOYSA-N 0 1 265.353 3.528 20 0 CHADMN CCc1[nH]nc(Cl)c1C[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC001204578600 1133463621 /nfs/dbraw/zinc/46/36/21/1133463621.db2.gz BQIHDHWGZLYFEN-LBPRGKRZSA-N 0 1 283.847 3.884 20 0 CHADMN c1cc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)n(C2CCC2)n1 ZINC001204585481 1133464738 /nfs/dbraw/zinc/46/47/38/1133464738.db2.gz RTYUMSKSVMZHCI-KRWDZBQOSA-N 0 1 295.430 3.673 20 0 CHADMN CC(C)Oc1ccc(F)c(-c2cc3nc[nH]c3cn2)c1F ZINC001204635073 1133469958 /nfs/dbraw/zinc/46/99/58/1133469958.db2.gz LBLBAWCXYQVYKN-UHFFFAOYSA-N 0 1 289.285 3.690 20 0 CHADMN C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001204645314 1133471008 /nfs/dbraw/zinc/47/10/08/1133471008.db2.gz RDIQXRXYLVIXEZ-SJLPKXTDSA-N 0 1 296.414 3.824 20 0 CHADMN COc1ncc(C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)s1 ZINC001204650192 1133471459 /nfs/dbraw/zinc/47/14/59/1133471459.db2.gz DCVNVRRXHQCZOZ-GXTWGEPZSA-N 0 1 288.416 3.530 20 0 CHADMN CC(C)Oc1ccc(F)c(-c2cncc3[nH]cnc32)c1F ZINC001204661818 1133473260 /nfs/dbraw/zinc/47/32/60/1133473260.db2.gz BHTJLYQTARXVGF-UHFFFAOYSA-N 0 1 289.285 3.690 20 0 CHADMN CC(C)Oc1ccc(F)c(-c2cncc3nc[nH]c32)c1F ZINC001204661818 1133473263 /nfs/dbraw/zinc/47/32/63/1133473263.db2.gz BHTJLYQTARXVGF-UHFFFAOYSA-N 0 1 289.285 3.690 20 0 CHADMN CCC(CC)[N@@H+](Cc1ccc([O-])c(F)c1F)C1CC1 ZINC001204714656 1133478207 /nfs/dbraw/zinc/47/82/07/1133478207.db2.gz XCAKPAZEXXOULZ-UHFFFAOYSA-N 0 1 269.335 3.823 20 0 CHADMN Clc1ccccc1-c1ccc(CN2CC=CC2)o1 ZINC001204717244 1133478607 /nfs/dbraw/zinc/47/86/07/1133478607.db2.gz DAGAFEUDGAZHLL-UHFFFAOYSA-N 0 1 259.736 3.972 20 0 CHADMN CC(C)[C@H](C)[N@@H+](C)Cc1nnn(-c2ccccc2)c1C1CC1 ZINC001204729453 1133479867 /nfs/dbraw/zinc/47/98/67/1133479867.db2.gz MANUNBFMGYTESC-AWEZNQCLSA-N 0 1 298.434 3.621 20 0 CHADMN CC(C)[C@H](C)N(C)Cc1nnn(-c2ccccc2)c1C1CC1 ZINC001204729453 1133479868 /nfs/dbraw/zinc/47/98/68/1133479868.db2.gz MANUNBFMGYTESC-AWEZNQCLSA-N 0 1 298.434 3.621 20 0 CHADMN C[C@@]1(CN2CCc3ccc(Cl)cc3C2)CCCCO1 ZINC001204796425 1133486567 /nfs/dbraw/zinc/48/65/67/1133486567.db2.gz PBWLAPWPXXIKHY-INIZCTEOSA-N 0 1 279.811 3.657 20 0 CHADMN COc1c(Cl)cc(-c2cc3[nH]cnc3cn2)cc1Cl ZINC001204809333 1133488444 /nfs/dbraw/zinc/48/84/44/1133488444.db2.gz CPJVIWOMQWVPMF-UHFFFAOYSA-N 0 1 294.141 3.940 20 0 CHADMN Nc1cccc(CN2CC=C(c3ccc(Cl)cc3)CC2)n1 ZINC001204870050 1133494417 /nfs/dbraw/zinc/49/44/17/1133494417.db2.gz NNXWGBCALNQCHG-UHFFFAOYSA-N 0 1 299.805 3.607 20 0 CHADMN CN[C@H](c1nc(-c2cccc3cnccc32)no1)C(C)(C)C ZINC001204889086 1133495963 /nfs/dbraw/zinc/49/59/63/1133495963.db2.gz OUGLJNPMUYHSOF-CQSZACIVSA-N 0 1 296.374 3.591 20 0 CHADMN CN[C@H](c1nc(-c2ccc(Cl)cc2F)no1)C(C)(C)C ZINC001204889746 1133496113 /nfs/dbraw/zinc/49/61/13/1133496113.db2.gz RBOVXJHTDKWLFO-LLVKDONJSA-N 0 1 297.761 3.836 20 0 CHADMN CCc1cc(-c2noc([C@@H](NC)C(C)(C)C)n2)ccc1F ZINC001204895932 1133496903 /nfs/dbraw/zinc/49/69/03/1133496903.db2.gz ZCBRRZYFNWZJRU-CYBMUJFWSA-N 0 1 291.370 3.745 20 0 CHADMN CN[C@H](c1nc(-c2cc(C)c(F)cc2F)no1)C(C)(C)C ZINC001204895014 1133497678 /nfs/dbraw/zinc/49/76/78/1133497678.db2.gz CNDZNDIDXSHIET-GFCCVEGCSA-N 0 1 295.333 3.630 20 0 CHADMN Cc1nc2cccc(-c3ccc(CO)c(C)c3C)c2[nH]1 ZINC001204977896 1133511786 /nfs/dbraw/zinc/51/17/86/1133511786.db2.gz WUIGHCDBGFSWRG-UHFFFAOYSA-N 0 1 266.344 3.647 20 0 CHADMN COCOc1ccc(-c2cccn3cncc23)cc1Cl ZINC001205048870 1133520162 /nfs/dbraw/zinc/52/01/62/1133520162.db2.gz WLJYMQXUVGGHFZ-UHFFFAOYSA-N 0 1 288.734 3.637 20 0 CHADMN Fc1cccc(/C=C\CN2CCN(c3ccccc3)CC2)c1 ZINC001205046256 1133520501 /nfs/dbraw/zinc/52/05/01/1133520501.db2.gz OXYPTYFNEFDKDH-ALCCZGGFSA-N 0 1 296.389 3.661 20 0 CHADMN Cc1cccc(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)c1C ZINC001205061026 1133522510 /nfs/dbraw/zinc/52/25/10/1133522510.db2.gz ZJAYYIVLFAYADK-SJORKVTESA-N 0 1 271.404 3.637 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(F)c(F)c2)cs1 ZINC001205077327 1133525172 /nfs/dbraw/zinc/52/51/72/1133525172.db2.gz KVJPGPWZIGQFRD-UHFFFAOYSA-N 0 1 267.344 3.967 20 0 CHADMN OCc1cc(Nc2ccc(-c3ccc(O)cc3)cc2)ccn1 ZINC001205134758 1133535068 /nfs/dbraw/zinc/53/50/68/1133535068.db2.gz SMBWUPDUDDHRPN-UHFFFAOYSA-N 0 1 292.338 3.690 20 0 CHADMN CCCCO[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001205148027 1133536042 /nfs/dbraw/zinc/53/60/42/1133536042.db2.gz CMTXVXGOYZEMFO-HNNXBMFYSA-N 0 1 267.800 3.731 20 0 CHADMN CCC1(CC)C[N@@H+](Cc2ccc(OC)cc2F)CCS1 ZINC001205261457 1133551739 /nfs/dbraw/zinc/55/17/39/1133551739.db2.gz JIXCDRHDAORQGP-UHFFFAOYSA-N 0 1 297.439 3.942 20 0 CHADMN CCC1(CC)CN(Cc2ccc(OC)cc2F)CCS1 ZINC001205261457 1133551744 /nfs/dbraw/zinc/55/17/44/1133551744.db2.gz JIXCDRHDAORQGP-UHFFFAOYSA-N 0 1 297.439 3.942 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc([O-])c2Cl)CC1(C)C ZINC001205291918 1133556077 /nfs/dbraw/zinc/55/60/77/1133556077.db2.gz RUORJNWHKLSEGH-LLVKDONJSA-N 0 1 267.800 3.914 20 0 CHADMN Cc1ccccc1-c1ccccc1CNCc1ccno1 ZINC001205305659 1133557974 /nfs/dbraw/zinc/55/79/74/1133557974.db2.gz IHOKOZKINHJQLZ-UHFFFAOYSA-N 0 1 278.355 3.940 20 0 CHADMN Fc1ccc(-c2cc(N3CCCCC3)ccn2)c2c[nH]nc21 ZINC001205324892 1133561482 /nfs/dbraw/zinc/56/14/82/1133561482.db2.gz JLXKJFDQYMIGRP-UHFFFAOYSA-N 0 1 296.349 3.754 20 0 CHADMN c1nc2cncc(-c3ccc(Oc4ccccc4)nc3)c2[nH]1 ZINC001205350260 1133566555 /nfs/dbraw/zinc/56/65/55/1133566555.db2.gz OZFFQWSKTSXXRR-UHFFFAOYSA-N 0 1 288.310 3.812 20 0 CHADMN CC(C)C1(C)CCN(Cc2cn3cccc(F)c3n2)CC1 ZINC001205486858 1133581237 /nfs/dbraw/zinc/58/12/37/1133581237.db2.gz WHPKYRMGKZCIJJ-UHFFFAOYSA-N 0 1 289.398 3.732 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2CC[C@@H]3CCC[C@H]23)no1 ZINC001205496202 1133582883 /nfs/dbraw/zinc/58/28/83/1133582883.db2.gz RNZJGFKCPSXCNU-CWRNSKLLSA-N 0 1 297.402 3.713 20 0 CHADMN CC[C@H](C)N(CCO)Cc1ccc(F)c(Cl)c1Cl ZINC001205822261 1133619468 /nfs/dbraw/zinc/61/94/68/1133619468.db2.gz OOBDWTMHTFFPOV-VIFPVBQESA-N 0 1 294.197 3.725 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3nccn3C3CC3)C2)cc1 ZINC001205568497 1133589967 /nfs/dbraw/zinc/58/99/67/1133589967.db2.gz JOOHQYDDIALQNN-DOTOQJQBSA-N 0 1 295.430 3.904 20 0 CHADMN C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](OCC2CCCCC2)C1 ZINC001205580027 1133590742 /nfs/dbraw/zinc/59/07/42/1133590742.db2.gz TXMJHEVDBOGWJZ-DOTOQJQBSA-N 0 1 288.435 3.814 20 0 CHADMN Cc1ccc(F)c(CN2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1 ZINC001205617176 1133595603 /nfs/dbraw/zinc/59/56/03/1133595603.db2.gz PSROZSNJPDPRFF-VXGBXAGGSA-N 0 1 293.279 3.714 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@](CF)(C(F)(F)F)C2)c1 ZINC001205617526 1133596724 /nfs/dbraw/zinc/59/67/24/1133596724.db2.gz ZLOYFHLQPXVIEU-CYBMUJFWSA-N 0 1 293.279 3.858 20 0 CHADMN CN(Cc1cc2cccnc2o1)Cc1cc(F)cc(F)c1 ZINC001205656821 1133599491 /nfs/dbraw/zinc/59/94/91/1133599491.db2.gz UAWURUPZXYFCEN-UHFFFAOYSA-N 0 1 288.297 3.738 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cnc(F)cc2C)c1 ZINC001205656135 1133599542 /nfs/dbraw/zinc/59/95/42/1133599542.db2.gz MZXPWXAFVCLGGI-UHFFFAOYSA-N 0 1 272.367 3.778 20 0 CHADMN CSc1ccccc1[C@H]1CCCN1Cc1cnoc1 ZINC001205723792 1133606321 /nfs/dbraw/zinc/60/63/21/1133606321.db2.gz CEASJXBQKYZDNG-CQSZACIVSA-N 0 1 274.389 3.734 20 0 CHADMN COC(=O)c1cnc([C@H](C)N(C)[C@@H]2CCCC[C@H]2C)s1 ZINC001205740039 1133607846 /nfs/dbraw/zinc/60/78/46/1133607846.db2.gz CCTPUMJPYTWVRA-GRYCIOLGSA-N 0 1 296.436 3.501 20 0 CHADMN CC(C)C(CN1C[C@@H](C(F)(F)F)OC[C@H]1C)C(C)C ZINC001205747815 1133608757 /nfs/dbraw/zinc/60/87/57/1133608757.db2.gz NEEISIDJJFLSGD-YPMHNXCESA-N 0 1 281.362 3.566 20 0 CHADMN CCCCN(Cc1cc(C)nn1C)Cc1ccccc1 ZINC001205905691 1133629272 /nfs/dbraw/zinc/62/92/72/1133629272.db2.gz WHWOLXHLROEBMO-UHFFFAOYSA-N 0 1 271.408 3.531 20 0 CHADMN C[C@@H](NCc1ncn(-c2ccccc2)n1)[C@@H]1CCCC[C@H]1C ZINC001205990063 1133639097 /nfs/dbraw/zinc/63/90/97/1133639097.db2.gz ORLKANAIANPXPQ-BFYDXBDKSA-N 0 1 298.434 3.572 20 0 CHADMN CCCCc1ccc(-c2noc(C(C)(C)NC)n2)cc1 ZINC001206000165 1133640464 /nfs/dbraw/zinc/64/04/64/1133640464.db2.gz HSFHEKHOMKDISN-UHFFFAOYSA-N 0 1 273.380 3.534 20 0 CHADMN CNC(C)(C)c1nc(-c2cccc(C(F)(F)F)c2C)no1 ZINC001206010497 1133641321 /nfs/dbraw/zinc/64/13/21/1133641321.db2.gz LSMRWFDTGWJLQZ-UHFFFAOYSA-N 0 1 299.296 3.518 20 0 CHADMN CC(C)[C@@H]1N(Cc2nc3ccccc3o2)CC12CCC2 ZINC001206032408 1133645280 /nfs/dbraw/zinc/64/52/80/1133645280.db2.gz SPYGTYGUOSWDGE-INIZCTEOSA-N 0 1 270.376 3.838 20 0 CHADMN Cc1nc(CN2CCC[C@H](c3ccccc3)CC2)co1 ZINC001206073791 1133653994 /nfs/dbraw/zinc/65/39/94/1133653994.db2.gz DGIFOSBCKQOMSK-INIZCTEOSA-N 0 1 270.376 3.753 20 0 CHADMN CCCCOc1ccc(-c2cncc3nc[nH]c32)c(F)c1 ZINC001206112676 1133659151 /nfs/dbraw/zinc/65/91/51/1133659151.db2.gz QOJJYGAQSDETIN-UHFFFAOYSA-N 0 1 285.322 3.943 20 0 CHADMN Cc1nc2c[nH]cc(-c3cc(F)cc(N4CCCC4)c3)c-2n1 ZINC001206129252 1133660918 /nfs/dbraw/zinc/66/09/18/1133660918.db2.gz DXPJBQSTPYCARB-UHFFFAOYSA-N 0 1 296.349 3.673 20 0 CHADMN Cc1nc2c(cncc2-c2cc(F)cc(N3CCCC3)c2)[nH]1 ZINC001206129252 1133660921 /nfs/dbraw/zinc/66/09/21/1133660921.db2.gz DXPJBQSTPYCARB-UHFFFAOYSA-N 0 1 296.349 3.673 20 0 CHADMN CCCOc1ccc(-c2nccc3c2CCN3)c(F)c1 ZINC001206131925 1133662226 /nfs/dbraw/zinc/66/22/26/1133662226.db2.gz PYPPJDGYUUMOAO-UHFFFAOYSA-N 0 1 272.323 3.645 20 0 CHADMN COC(=O)c1nc2ccc(C=Cc3ccc(C)cc3)cc2[nH]1 ZINC001206161997 1133665970 /nfs/dbraw/zinc/66/59/70/1133665970.db2.gz ZSRQXXOYUZHFIM-BQYQJAHWSA-N 0 1 292.338 3.828 20 0 CHADMN Cc1c(N)ccnc1-c1ccc(Cl)c(C)c1F ZINC001206266599 1133679283 /nfs/dbraw/zinc/67/92/83/1133679283.db2.gz OIJOSAJMBUDZBR-UHFFFAOYSA-N 0 1 250.704 3.740 20 0 CHADMN COc1cnccc1CN(C)Cc1cccc2ccccc21 ZINC001206473177 1133707170 /nfs/dbraw/zinc/70/71/70/1133707170.db2.gz CONQEPHSTJEVQP-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN c1cc(CN2C[C@H]3CCCC[C@H]32)n(CCc2ccccc2)n1 ZINC001206559195 1133718027 /nfs/dbraw/zinc/71/80/27/1133718027.db2.gz ARANKVIDWQINFE-IEBWSBKVSA-N 0 1 295.430 3.500 20 0 CHADMN Cc1nc2cccc(-c3cc4n[nH]cc4c(F)c3)c2[nH]1 ZINC001206586793 1133723552 /nfs/dbraw/zinc/72/35/52/1133723552.db2.gz CUJFBJYMXLLTIL-UHFFFAOYSA-N 0 1 266.279 3.554 20 0 CHADMN CCC(C)(C)OC1CN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001206692101 1133732936 /nfs/dbraw/zinc/73/29/36/1133732936.db2.gz XTXLJTLMVGTFCY-RDJZCZTQSA-N 0 1 273.420 3.680 20 0 CHADMN FC(F)(F)[C@H](OCCN1CCCCC1)c1ccccc1 ZINC001206701198 1133734534 /nfs/dbraw/zinc/73/45/34/1133734534.db2.gz QBYWPODPUOKNKL-CQSZACIVSA-N 0 1 287.325 3.793 20 0 CHADMN CCCOc1ccc(F)c(-c2cccc3[nH]nnc32)c1F ZINC001206741853 1133739408 /nfs/dbraw/zinc/73/94/08/1133739408.db2.gz LVSKRMKSUOQDAW-UHFFFAOYSA-N 0 1 289.285 3.692 20 0 CHADMN Oc1cc(F)c(-c2cccc(OC(F)(F)F)n2)cc1F ZINC001206755506 1133742292 /nfs/dbraw/zinc/74/22/92/1133742292.db2.gz KYPTUOKUTVWDLL-UHFFFAOYSA-N 0 1 291.175 3.631 20 0 CHADMN Cc1c[nH]c2nc(-c3cc(F)c(O)cc3F)ccc12 ZINC001206754915 1133742458 /nfs/dbraw/zinc/74/24/58/1133742458.db2.gz AWIUZJZYRLJMEB-UHFFFAOYSA-N 0 1 260.243 3.522 20 0 CHADMN COc1cc(C)ccc1CN(C)CCOc1ccccc1 ZINC001206762074 1133743658 /nfs/dbraw/zinc/74/36/58/1133743658.db2.gz FDCWNGVBHZQMFD-UHFFFAOYSA-N 0 1 285.387 3.514 20 0 CHADMN Oc1cc(F)c(-c2cnc(-c3ccccc3)cn2)cc1F ZINC001206768023 1133745571 /nfs/dbraw/zinc/74/55/71/1133745571.db2.gz NLTWGLIMGZCJML-UHFFFAOYSA-N 0 1 284.265 3.794 20 0 CHADMN Cc1nc(-c2cc(F)c(O)cc2F)cc2[nH]ccc21 ZINC001206768210 1133745719 /nfs/dbraw/zinc/74/57/19/1133745719.db2.gz RPYVUROAEJQSPI-UHFFFAOYSA-N 0 1 260.243 3.522 20 0 CHADMN CSc1cnc(-c2cc(F)c(O)cc2F)c(C)c1 ZINC001206767502 1133745991 /nfs/dbraw/zinc/74/59/91/1133745991.db2.gz BDXGBXJXCWGIRV-UHFFFAOYSA-N 0 1 267.300 3.763 20 0 CHADMN Oc1cc(F)c(-c2ccc(-c3ccncc3)cn2)cc1F ZINC001206767493 1133746338 /nfs/dbraw/zinc/74/63/38/1133746338.db2.gz APLHCGHEYNNTGI-UHFFFAOYSA-N 0 1 284.265 3.794 20 0 CHADMN Cc1cc(-c2cc(F)c(O)cc2F)nc(-c2ccco2)n1 ZINC001206775837 1133747013 /nfs/dbraw/zinc/74/70/13/1133747013.db2.gz NMYTXTQUXHSVMA-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN CN(CCC1CC1)Cc1cc(-c2ccc(F)cc2)on1 ZINC001206837142 1133754271 /nfs/dbraw/zinc/75/42/71/1133754271.db2.gz VTEQAJCXEYZRPT-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN C[C@@H]1CCN(Cc2cc(-c3ccccc3)on2)[C@@H](C)C1 ZINC001206846330 1133755214 /nfs/dbraw/zinc/75/52/14/1133755214.db2.gz QPKNQTMUOYCEDW-KGLIPLIRSA-N 0 1 270.376 3.962 20 0 CHADMN c1c(CN2CCCCC23CC3)noc1-c1ccccc1 ZINC001206846262 1133755843 /nfs/dbraw/zinc/75/58/43/1133755843.db2.gz OFMUXSREWLTSCQ-UHFFFAOYSA-N 0 1 268.360 3.860 20 0 CHADMN C[C@@H]1CCN(Cc2cc(-c3ccccc3)on2)[C@H](C)C1 ZINC001206846332 1133756030 /nfs/dbraw/zinc/75/60/30/1133756030.db2.gz QPKNQTMUOYCEDW-ZIAGYGMSSA-N 0 1 270.376 3.962 20 0 CHADMN Fc1cncc(F)c1CN1CC[C@H](C2CCCCC2)C1 ZINC001206862993 1133756476 /nfs/dbraw/zinc/75/64/76/1133756476.db2.gz TYSVWCFKUUYXDC-ZDUSSCGKSA-N 0 1 280.362 3.762 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cc(C)ccn1 ZINC001206853271 1133757335 /nfs/dbraw/zinc/75/73/35/1133757335.db2.gz OTWCSWSYJSEIAF-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN Fc1ccc(C[N@H+]2CC[C@@H](c3ccccc3Cl)C2)nc1 ZINC001207041396 1133761045 /nfs/dbraw/zinc/76/10/45/1133761045.db2.gz YDWZROUUZREYHN-GFCCVEGCSA-N 0 1 290.769 3.864 20 0 CHADMN Fc1ccc(CN2CC[C@@H](c3ccccc3Cl)C2)nc1 ZINC001207041396 1133761049 /nfs/dbraw/zinc/76/10/49/1133761049.db2.gz YDWZROUUZREYHN-GFCCVEGCSA-N 0 1 290.769 3.864 20 0 CHADMN c1nc(CN2CCC[C@H]2c2ccccc2)n2ccccc12 ZINC001207051648 1133763236 /nfs/dbraw/zinc/76/32/36/1133763236.db2.gz OLJZHUZVTLPSLH-KRWDZBQOSA-N 0 1 277.371 3.671 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1Cc1ncc2ccccn21 ZINC001207050297 1133763343 /nfs/dbraw/zinc/76/33/43/1133763343.db2.gz NHTCECGGUBWZQO-SFHVURJKSA-N 0 1 291.398 3.980 20 0 CHADMN CCc1nccc(CN(C)[C@H](C)c2ccc(Cl)cc2)n1 ZINC001207087510 1133765490 /nfs/dbraw/zinc/76/54/90/1133765490.db2.gz AGZIWXXRYUFURW-GFCCVEGCSA-N 0 1 289.810 3.885 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2c(F)cccc2OC(F)F)C1 ZINC001207117796 1133768216 /nfs/dbraw/zinc/76/82/16/1133768216.db2.gz BNRCDTRJMIFLMK-QWRGUYRKSA-N 0 1 287.325 3.905 20 0 CHADMN FC(F)c1cccc(CN2CC[C@H]3CCCO[C@@H]3C2)c1 ZINC001207125109 1133769142 /nfs/dbraw/zinc/76/91/42/1133769142.db2.gz IGRJFUMSKHEZKH-UKRRQHHQSA-N 0 1 281.346 3.625 20 0 CHADMN CCn1ccnc1CN1CCC[C@H]1c1cc(C)cc(C)c1 ZINC001207148315 1133772053 /nfs/dbraw/zinc/77/20/53/1133772053.db2.gz SAQPUOOXFUYOBJ-KRWDZBQOSA-N 0 1 283.419 3.857 20 0 CHADMN CSc1ccccc1[C@H]1CCCN1Cc1ccnc(C)n1 ZINC001207168490 1133773525 /nfs/dbraw/zinc/77/35/25/1133773525.db2.gz JMIGYHARIZLBRF-MRXNPFEDSA-N 0 1 299.443 3.844 20 0 CHADMN CC(C)[C@@H]1C[C@H](N[C@@H](CF)c2ccc(F)cc2)CS1 ZINC001207224881 1133779974 /nfs/dbraw/zinc/77/99/74/1133779974.db2.gz AWRLYFMZXAPMGJ-KKUMJFAQSA-N 0 1 285.403 3.956 20 0 CHADMN C[C@@H]1CCC[C@@H](C2CN(Cc3cnc(C4CC4)o3)C2)C1 ZINC001207235455 1133781182 /nfs/dbraw/zinc/78/11/82/1133781182.db2.gz WXVGGVPRQHUWQC-TZMCWYRMSA-N 0 1 274.408 3.810 20 0 CHADMN COc1ccccc1CCN1CCC[C@@H]1c1nccs1 ZINC001207458826 1133802332 /nfs/dbraw/zinc/80/23/32/1133802332.db2.gz HGYCSLNNTFGWQQ-CQSZACIVSA-N 0 1 288.416 3.531 20 0 CHADMN Oc1cccc2c1CCN(CCCc1ccccc1F)C2 ZINC001207490678 1133808474 /nfs/dbraw/zinc/80/84/74/1133808474.db2.gz WTQHGGXIYZAVOU-UHFFFAOYSA-N 0 1 285.362 3.522 20 0 CHADMN CCOC1CN(CC(c2ccccc2)c2ccccc2)C1 ZINC001207522571 1133814383 /nfs/dbraw/zinc/81/43/83/1133814383.db2.gz JOYUGKZXMLPFLG-UHFFFAOYSA-N 0 1 281.399 3.539 20 0 CHADMN CCc1ccc2c(c1)CN(Cc1ccc3c(n1)CCC3)CC2 ZINC001207862086 1133856071 /nfs/dbraw/zinc/85/60/71/1133856071.db2.gz QZSBCIWDZLWCIQ-UHFFFAOYSA-N 0 1 292.426 3.691 20 0 CHADMN Cc1ccc(CCCN2CCC[C@@H]2c2cc(C)on2)o1 ZINC001207936949 1133866795 /nfs/dbraw/zinc/86/67/95/1133866795.db2.gz DZVHHIUOBATMLR-MRXNPFEDSA-N 0 1 274.364 3.654 20 0 CHADMN Fc1cccc(F)c1[C@H]1CCCN1C[C@@H]1CCCCO1 ZINC001207962794 1133869927 /nfs/dbraw/zinc/86/99/27/1133869927.db2.gz XQRZPCQHTNLWPX-SWLSCSKDSA-N 0 1 281.346 3.671 20 0 CHADMN c1ccc(CN(Cc2ccccn2)C[C@@H]2CCCCO2)cc1 ZINC001207954514 1133869963 /nfs/dbraw/zinc/86/99/63/1133869963.db2.gz QWNDJTCCGAOXHU-IBGZPJMESA-N 0 1 296.414 3.653 20 0 CHADMN CS[C@H](C)CCN(C)Cc1ncccc1C(F)(F)F ZINC001208138411 1133883982 /nfs/dbraw/zinc/88/39/82/1133883982.db2.gz JMRRULQUFLDTQW-SNVBAGLBSA-N 0 1 292.370 3.674 20 0 CHADMN CC/C=C\CCCN1CCO[C@@H](Cc2ccccc2)C1 ZINC001208139163 1133884664 /nfs/dbraw/zinc/88/46/64/1133884664.db2.gz VJCHXPDHVHNEBG-JXCVUKRWSA-N 0 1 273.420 3.676 20 0 CHADMN CC/C=C\CCCN1CCO[C@H](COc2ccccc2)C1 ZINC001208138789 1133884858 /nfs/dbraw/zinc/88/48/58/1133884858.db2.gz RSKPTJMFGSXROW-JXCVUKRWSA-N 0 1 289.419 3.513 20 0 CHADMN Cc1ccc([C@H](C)CCN2CCn3cccc3[C@@H]2C)o1 ZINC001208165815 1133893137 /nfs/dbraw/zinc/89/31/37/1133893137.db2.gz HBLCTSNIMWYVOY-HIFRSBDPSA-N 0 1 272.392 3.960 20 0 CHADMN Cc1ccc([C@@H](C)CCN2CCn3cccc3[C@@H]2C)o1 ZINC001208165820 1133893656 /nfs/dbraw/zinc/89/36/56/1133893656.db2.gz HBLCTSNIMWYVOY-ZFWWWQNUSA-N 0 1 272.392 3.960 20 0 CHADMN CC1=C[C@H](C)[C@@H](CN(C)Cc2nccs2)CC1 ZINC001208179955 1133901352 /nfs/dbraw/zinc/90/13/52/1133901352.db2.gz COBMCTZPUDYHAC-QWHCGFSZSA-N 0 1 250.411 3.567 20 0 CHADMN CC/C=C\CCCCCN1CC[C@H]2C[C@]21C(=O)OCC ZINC001208192068 1133903870 /nfs/dbraw/zinc/90/38/70/1133903870.db2.gz ZSSZLGUKBGLPSA-HXHJPBPVSA-N 0 1 279.424 3.541 20 0 CHADMN COC(C)(C)CCC[C@H](C)CCN1CCC(=O)[C@H](C)C1 ZINC001208201243 1133906163 /nfs/dbraw/zinc/90/61/63/1133906163.db2.gz AMSWCXYHXMCOGL-LSDHHAIUSA-N 0 1 283.456 3.519 20 0 CHADMN COc1ccnc(NCc2nc(-c3ccccc3)cs2)c1 ZINC000089806203 1133917129 /nfs/dbraw/zinc/91/71/29/1133917129.db2.gz RNNFSHPPYZJWKB-UHFFFAOYSA-N 0 1 297.383 3.826 20 0 CHADMN C[C@H](CN1CCC(=O)[C@@H](C)C1)c1cccc2ccccc21 ZINC001208707295 1133933262 /nfs/dbraw/zinc/93/32/62/1133933262.db2.gz RMPCMCJSHRFVNC-CABCVRRESA-N 0 1 281.399 3.854 20 0 CHADMN O=C1CCN(CCc2ccc(Cl)cc2)[C@@H]2CCCC[C@@H]12 ZINC001208737013 1133938891 /nfs/dbraw/zinc/93/88/91/1133938891.db2.gz PAFCENZZNLYRGZ-HZPDHXFCSA-N 0 1 291.822 3.716 20 0 CHADMN O=C1CCN(CCc2ccc(Cl)cc2)[C@@H]2CCCC[C@H]12 ZINC001208737014 1133939375 /nfs/dbraw/zinc/93/93/75/1133939375.db2.gz PAFCENZZNLYRGZ-JKSUJKDBSA-N 0 1 291.822 3.716 20 0 CHADMN O=C1CCN(CCCc2ccc(F)cc2)[C@@H]2CCCC[C@@H]12 ZINC001208767955 1133941591 /nfs/dbraw/zinc/94/15/91/1133941591.db2.gz ORWJUXGXLSXKQH-IAGOWNOFSA-N 0 1 289.394 3.592 20 0 CHADMN O=C1CCN(CC2(c3ccccc3)CCCC2)CC[C@H]1F ZINC001208772156 1133943470 /nfs/dbraw/zinc/94/34/70/1133943470.db2.gz RNLFVEPQBCHOLI-MRXNPFEDSA-N 0 1 289.394 3.501 20 0 CHADMN F[C@@H]1CCN(CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001208833315 1133948802 /nfs/dbraw/zinc/94/88/02/1133948802.db2.gz PQQJZAJCGYGIFT-LLVKDONJSA-N 0 1 276.182 3.970 20 0 CHADMN Cc1cc(CN(C)CCCCCc2ccccc2)n(C)n1 ZINC001209229223 1133993023 /nfs/dbraw/zinc/99/30/23/1133993023.db2.gz DQWIDAUXYGGUFE-UHFFFAOYSA-N 0 1 285.435 3.573 20 0 CHADMN C[C@@H]1C[C@H]1CN1Cc2ccc(Br)cc2C[C@H]1C ZINC001209428837 1134016280 /nfs/dbraw/zinc/01/62/80/1134016280.db2.gz TZXJEXOBHZUKKR-GYSYKLTISA-N 0 1 294.236 3.852 20 0 CHADMN Cc1cccc2c(CN3Cc4ccccc4C3)c[nH]c21 ZINC001209482094 1134026702 /nfs/dbraw/zinc/02/67/02/1134026702.db2.gz HSCJVKRVBFMSRG-UHFFFAOYSA-N 0 1 262.356 3.992 20 0 CHADMN CCCCN(Cc1cncs1)Cc1ccccc1 ZINC001209548995 1134037152 /nfs/dbraw/zinc/03/71/52/1134037152.db2.gz GBXPKQGEDKQJHW-UHFFFAOYSA-N 0 1 260.406 3.945 20 0 CHADMN COc1c(Cl)ccc(CN(C)CCC2CC2)c1F ZINC001209702732 1134051091 /nfs/dbraw/zinc/05/10/91/1134051091.db2.gz JRAPUDISQZKBTK-UHFFFAOYSA-N 0 1 271.763 3.720 20 0 CHADMN C[C@@H]1CC[N@H+](Cc2n[nH]c3ccc(Cl)cc32)[C@H](C)C1 ZINC001209755462 1134058210 /nfs/dbraw/zinc/05/82/10/1134058210.db2.gz LRJGNLDTWFSZGH-GHMZBOCLSA-N 0 1 277.799 3.837 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)[C@H](C)C1 ZINC001209755462 1134058214 /nfs/dbraw/zinc/05/82/14/1134058214.db2.gz LRJGNLDTWFSZGH-GHMZBOCLSA-N 0 1 277.799 3.837 20 0 CHADMN C[C@@H]1CCN(Cc2[nH]nc3ccc(Cl)cc32)[C@H](C)C1 ZINC001209755462 1134058220 /nfs/dbraw/zinc/05/82/20/1134058220.db2.gz LRJGNLDTWFSZGH-GHMZBOCLSA-N 0 1 277.799 3.837 20 0 CHADMN C[C@@H]1CCN(Cc2n[nH]c3ccc(Cl)cc32)[C@H](C)C1 ZINC001209755462 1134058227 /nfs/dbraw/zinc/05/82/27/1134058227.db2.gz LRJGNLDTWFSZGH-GHMZBOCLSA-N 0 1 277.799 3.837 20 0 CHADMN Clc1ccc2[nH]nc(CN3CCC4(CCC4)C3)c2c1 ZINC001209759542 1134061557 /nfs/dbraw/zinc/06/15/57/1134061557.db2.gz PVYCEOFSPRPFRJ-UHFFFAOYSA-N 0 1 275.783 3.592 20 0 CHADMN Clc1ccc2n[nH]c(CN3CCC4(CCC4)C3)c2c1 ZINC001209759542 1134061565 /nfs/dbraw/zinc/06/15/65/1134061565.db2.gz PVYCEOFSPRPFRJ-UHFFFAOYSA-N 0 1 275.783 3.592 20 0 CHADMN Fc1cccc(-c2cc(Nc3ncccc3F)on2)c1 ZINC001209806368 1134068970 /nfs/dbraw/zinc/06/89/70/1134068970.db2.gz PYEFZUNDISCILF-UHFFFAOYSA-N 0 1 273.242 3.758 20 0 CHADMN CC(C)(C)N1CC(OCCCCc2ccccc2)C1 ZINC001209833508 1134075168 /nfs/dbraw/zinc/07/51/68/1134075168.db2.gz OFWOLYNHTKXYHJ-UHFFFAOYSA-N 0 1 261.409 3.509 20 0 CHADMN O=c1cc(Nc2ccc3nc[nH]c3c2)c2ccccc2[nH]1 ZINC001209842435 1134079203 /nfs/dbraw/zinc/07/92/03/1134079203.db2.gz JYDPGQILYOTKLE-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN c1nc2ccc(Nc3nc4ccccc4s3)cc2[nH]1 ZINC001209841444 1134079314 /nfs/dbraw/zinc/07/93/14/1134079314.db2.gz PCNUDQXERQQSEY-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN c1nc2ccc(Nc3cc(C4CCCC4)no3)cc2[nH]1 ZINC001209841553 1134079691 /nfs/dbraw/zinc/07/96/91/1134079691.db2.gz UZQCLQXSYOSXFJ-UHFFFAOYSA-N 0 1 268.320 3.952 20 0 CHADMN c1nc2ccc(Nc3cnc(-c4ccccc4)cn3)cc2[nH]1 ZINC001209841237 1134079710 /nfs/dbraw/zinc/07/97/10/1134079710.db2.gz HKDPYQPRTJNMAC-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN O=C1CCCc2ccc(Nc3ccc4nc[nH]c4c3)cc2N1 ZINC001209847599 1134080234 /nfs/dbraw/zinc/08/02/34/1134080234.db2.gz CQMXCGQPWSMESM-UHFFFAOYSA-N 0 1 292.342 3.581 20 0 CHADMN Fc1ccc(Nc2ccc3nc[nH]c3c2)c2ncccc12 ZINC001209848197 1134080643 /nfs/dbraw/zinc/08/06/43/1134080643.db2.gz HQZBIMWBTDBDPA-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN c1cnn(Cc2cccc(Nc3ccc4nc[nH]c4c3)c2)c1 ZINC001209847323 1134082468 /nfs/dbraw/zinc/08/24/68/1134082468.db2.gz PESYIWMUWYXMLN-UHFFFAOYSA-N 0 1 289.342 3.551 20 0 CHADMN COc1nc(Nc2ccc3nc[nH]c3c2)cc2ccccc21 ZINC001209848192 1134082667 /nfs/dbraw/zinc/08/26/67/1134082667.db2.gz JVSGULIKQNBTEN-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN c1nc2ccc(Nc3ccc(-c4ccncn4)cc3)cc2[nH]1 ZINC001209849379 1134085370 /nfs/dbraw/zinc/08/53/70/1134085370.db2.gz YPPJQRDMUHOKRC-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN CC(=O)c1ccc(Nc2ccc3nc[nH]c3c2)c(F)c1 ZINC001209848580 1134085670 /nfs/dbraw/zinc/08/56/70/1134085670.db2.gz LEFZBNAETMVVDR-UHFFFAOYSA-N 0 1 269.279 3.648 20 0 CHADMN Nc1cccc(C(F)(F)F)c1Nc1ccc2nc[nH]c2c1 ZINC001209852226 1134085934 /nfs/dbraw/zinc/08/59/34/1134085934.db2.gz XZNWYOXZHFFFHO-UHFFFAOYSA-N 0 1 292.264 3.908 20 0 CHADMN COC(=O)c1cc(C)c(F)cc1Nc1ccc2nc[nH]c2c1 ZINC001209851322 1134086815 /nfs/dbraw/zinc/08/68/15/1134086815.db2.gz RWGKZJIHKVGXRD-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN COc1cc(Nc2ccc3nc[nH]c3c2)cc(F)c1F ZINC001209851522 1134087310 /nfs/dbraw/zinc/08/73/10/1134087310.db2.gz VHDSECSMCFNDJJ-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN Cc1cc(C)c(Nc2cnc(N)cc2C)c(Cl)c1 ZINC001209970208 1134112933 /nfs/dbraw/zinc/11/29/33/1134112933.db2.gz XIEMZIITPBYOAJ-UHFFFAOYSA-N 0 1 261.756 3.986 20 0 CHADMN Cc1cc(N)ncc1Nc1cncc2cc(Cl)ccc21 ZINC001209967825 1134111006 /nfs/dbraw/zinc/11/10/06/1134111006.db2.gz SEHNKOHWDXCCNS-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(Cl)cc2cccnc21 ZINC001209968544 1134111441 /nfs/dbraw/zinc/11/14/41/1134111441.db2.gz CTNARFGPOBBTJV-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(O)c2ccccc12 ZINC001209966878 1134111755 /nfs/dbraw/zinc/11/17/55/1134111755.db2.gz HRDNAYDHJZQLKN-UHFFFAOYSA-N 0 1 265.316 3.575 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(F)cc1Br ZINC001209967896 1134111762 /nfs/dbraw/zinc/11/17/62/1134111762.db2.gz TZBBCDMZLAEKMY-UHFFFAOYSA-N 0 1 296.143 3.617 20 0 CHADMN CCCCOc1ccc(Nc2cnc(N)cc2C)cc1 ZINC001209966026 1134111884 /nfs/dbraw/zinc/11/18/84/1134111884.db2.gz OKQOAVFKOAISKF-UHFFFAOYSA-N 0 1 271.364 3.895 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc2ncc(Cl)cc21 ZINC001209970833 1134112403 /nfs/dbraw/zinc/11/24/03/1134112403.db2.gz FOYVHPKLKQLKNF-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc2c(Cl)ccnc2c1 ZINC001209971019 1134112434 /nfs/dbraw/zinc/11/24/34/1134112434.db2.gz PDEGAPWVSDXERX-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(F)cc(F)c1Cl ZINC001209970102 1134112473 /nfs/dbraw/zinc/11/24/73/1134112473.db2.gz UUMSKMIAIGTIRS-UHFFFAOYSA-N 0 1 269.682 3.647 20 0 CHADMN Cc1cc(N)ncc1Nc1c(N)cc(Cl)cc1Cl ZINC001209969024 1134112481 /nfs/dbraw/zinc/11/24/81/1134112481.db2.gz IKTXYGWDGFLCDI-UHFFFAOYSA-N 0 1 283.162 3.605 20 0 CHADMN CNc1ccc(C(F)(F)F)cc1Nc1cnc(N)cc1C ZINC001209970570 1134112876 /nfs/dbraw/zinc/11/28/76/1134112876.db2.gz YSIDGRNYPCBQRU-UHFFFAOYSA-N 0 1 296.296 3.776 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccccc3OC(C)C)c2c1 ZINC001210020313 1134124377 /nfs/dbraw/zinc/12/43/77/1134124377.db2.gz FAPCXYGLCFEPQM-UHFFFAOYSA-N 0 1 281.359 3.703 20 0 CHADMN FC1(F)CC=C(N=c2s[nH]c3cccnc32)CC1 ZINC001210032621 1134128164 /nfs/dbraw/zinc/12/81/64/1134128164.db2.gz TVAWIQQKRZUYEH-UHFFFAOYSA-N 0 1 267.304 3.806 20 0 CHADMN c1ncn2c1cccc2-c1cccc(OCC2CC2)c1 ZINC001210050375 1134135528 /nfs/dbraw/zinc/13/55/28/1134135528.db2.gz DSPISIHDQVJCPS-UHFFFAOYSA-N 0 1 264.328 3.790 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(F)c(F)c1 ZINC001210101012 1134145327 /nfs/dbraw/zinc/14/53/27/1134145327.db2.gz APWFIWHFKJMSMX-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(Cl)ncc1F ZINC001210100603 1134145467 /nfs/dbraw/zinc/14/54/67/1134145467.db2.gz UBDAISUWNRYUBU-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(OC(F)F)nc1 ZINC001210102219 1134146453 /nfs/dbraw/zinc/14/64/53/1134146453.db2.gz NKMTUYVOWVSFSM-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(OCC2CC2)nc1 ZINC001210101579 1134146470 /nfs/dbraw/zinc/14/64/70/1134146470.db2.gz IPSIEHKSQWVYOT-UHFFFAOYSA-N 0 1 294.358 3.799 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccnc1C1CC1 ZINC001210102132 1134146606 /nfs/dbraw/zinc/14/66/06/1134146606.db2.gz LSXQUPBSUONKMC-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccccc1-n1cccn1 ZINC001210102608 1134147057 /nfs/dbraw/zinc/14/70/57/1134147057.db2.gz PPDBHHYCOOQSLQ-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1cc2c(cccc2Nc2cc3cn[nH]c3cc2C)nn1 ZINC001210103510 1134147288 /nfs/dbraw/zinc/14/72/88/1134147288.db2.gz VPUNGSKOWMONOL-UHFFFAOYSA-N 0 1 289.342 3.867 20 0 CHADMN COc1cc(Nc2cc3cn[nH]c3cc2C)ccc1C ZINC001210103561 1134148198 /nfs/dbraw/zinc/14/81/98/1134148198.db2.gz XEXHSWYKGNZXOQ-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1c(C)cc(O)cc1C ZINC001210105205 1134148452 /nfs/dbraw/zinc/14/84/52/1134148452.db2.gz QJAUWBIJNDKJCE-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN CNc1cccc(C)c1Nc1cc2cn[nH]c2cc1C ZINC001210107126 1134148816 /nfs/dbraw/zinc/14/88/16/1134148816.db2.gz WAYZUGZAPYDBDF-UHFFFAOYSA-N 0 1 266.348 3.965 20 0 CHADMN COc1ccc(C(C)=O)c(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210105531 1134149076 /nfs/dbraw/zinc/14/90/76/1134149076.db2.gz FMCLFCXDQDVNCW-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN COc1cc(Nc2cc(F)c(C)c(F)c2)ncc1C ZINC001210109325 1134150725 /nfs/dbraw/zinc/15/07/25/1134150725.db2.gz VXEBNSNCCUUREW-UHFFFAOYSA-N 0 1 264.275 3.729 20 0 CHADMN CC1(C)CCC(=Nc2ccccc2S(C)(=O)=O)CC1 ZINC001210165273 1134158510 /nfs/dbraw/zinc/15/85/10/1134158510.db2.gz BEDZUPBZVFAZEK-UHFFFAOYSA-N 0 1 279.405 3.596 20 0 CHADMN COC(=O)c1cc(N)c(NC2=CCCCCCC2)s1 ZINC001210450663 1134217385 /nfs/dbraw/zinc/21/73/85/1134217385.db2.gz YLRCFOJFDHBKHX-UHFFFAOYSA-N 0 1 280.393 3.767 20 0 CHADMN COCOc1ccc(Nc2cnc3cccc(C)n23)c(C)c1 ZINC001210491548 1134227666 /nfs/dbraw/zinc/22/76/66/1134227666.db2.gz AOHJKRSHUSTJJQ-UHFFFAOYSA-N 0 1 297.358 3.677 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(C)cc1C(F)(F)F ZINC001210524440 1134239301 /nfs/dbraw/zinc/23/93/01/1134239301.db2.gz JOUGIYFMKBZXQR-UHFFFAOYSA-N 0 1 269.270 3.799 20 0 CHADMN CN(C)c1cc(Nc2cc(Cl)c([O-])c(Cl)c2)cc[nH+]1 ZINC001210926703 1134329070 /nfs/dbraw/zinc/32/90/70/1134329070.db2.gz MPIUECZQJJWNIF-UHFFFAOYSA-N 0 1 298.173 3.904 20 0 CHADMN Fc1cc(C(F)(F)F)c(F)c(Nc2nccs2)n1 ZINC001210989438 1134344536 /nfs/dbraw/zinc/34/45/36/1134344536.db2.gz GVXZXCIVEGUBSQ-UHFFFAOYSA-N 0 1 281.209 3.579 20 0 CHADMN COc1cccc(-n2nccc2N=C(C)c2ccccc2)c1 ZINC001210982869 1134341253 /nfs/dbraw/zinc/34/12/53/1134341253.db2.gz HXYPJHYNCKGXKC-UHFFFAOYSA-N 0 1 291.354 3.964 20 0 CHADMN CC(=Nc1ccc(OC(C)C)nc1)c1ccccc1 ZINC001210982782 1134341526 /nfs/dbraw/zinc/34/15/26/1134341526.db2.gz GOKISQWXTWATMP-UHFFFAOYSA-N 0 1 254.333 3.952 20 0 CHADMN C=C(Nc1cccc2c1OCCO2)c1ccccc1 ZINC001210987261 1134342747 /nfs/dbraw/zinc/34/27/47/1134342747.db2.gz KTXSAYNWKGSCME-UHFFFAOYSA-N 0 1 253.301 3.541 20 0 CHADMN Cn1cncc1Nc1c(Cl)cc(F)cc1Cl ZINC001211249132 1134398163 /nfs/dbraw/zinc/39/81/63/1134398163.db2.gz KROLVKFLKADMFA-UHFFFAOYSA-N 0 1 260.099 3.610 20 0 CHADMN Cn1cncc1Nc1cc(C(F)(F)F)nc2ccccc21 ZINC001211247283 1134399110 /nfs/dbraw/zinc/39/91/10/1134399110.db2.gz RZEAZMDJEZGKPS-UHFFFAOYSA-N 0 1 292.264 3.731 20 0 CHADMN Cc1cc(C)c(Nc2cncn2C)c(C)c1Br ZINC001211251232 1134400236 /nfs/dbraw/zinc/40/02/36/1134400236.db2.gz WNXLJRSZHOILEC-UHFFFAOYSA-N 0 1 294.196 3.851 20 0 CHADMN Cn1cncc1Nc1ccc(Cl)cc1Br ZINC001211250780 1134400319 /nfs/dbraw/zinc/40/03/19/1134400319.db2.gz QGUMZKOXPYUQIK-UHFFFAOYSA-N 0 1 286.560 3.580 20 0 CHADMN CCCCOc1ccc(Nc2cncn2C)c(C)c1 ZINC001211283415 1134402977 /nfs/dbraw/zinc/40/29/77/1134402977.db2.gz RGRWGJXGMQQQBG-UHFFFAOYSA-N 0 1 259.353 3.651 20 0 CHADMN Cc1ncn(-c2cc(Cl)cc(Cl)c2Cl)c1N ZINC001211316906 1134408762 /nfs/dbraw/zinc/40/87/62/1134408762.db2.gz PSZPADZKOHSGMP-UHFFFAOYSA-N 0 1 276.554 3.723 20 0 CHADMN COc1cccc(Nc2ccc3[nH]c(C)nc3c2)c1F ZINC001213074451 1134420628 /nfs/dbraw/zinc/42/06/28/1134420628.db2.gz VEABFMFCIQZPIJ-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN COc1cccc(Nc2ccc3nc(C)[nH]c3c2)c1F ZINC001213074451 1134420633 /nfs/dbraw/zinc/42/06/33/1134420633.db2.gz VEABFMFCIQZPIJ-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1nc2cc(Nc3ccc(OCC4CC4)nc3)ccc2[nH]1 ZINC001213073053 1134421367 /nfs/dbraw/zinc/42/13/67/1134421367.db2.gz AYIZWKUOPWNQSB-UHFFFAOYSA-N 0 1 294.358 3.799 20 0 CHADMN Cc1nc2cc(Nc3c(C)cccc3O)ccc2[nH]1 ZINC001213075230 1134422931 /nfs/dbraw/zinc/42/29/31/1134422931.db2.gz KETMDDOWLFINNZ-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1nc2ccc(N3CCCc4c(N)cccc43)cc2[nH]1 ZINC001213076213 1134423198 /nfs/dbraw/zinc/42/31/98/1134423198.db2.gz LKQUHOBKOMMHRT-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN CCc1ccc(N)c(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213077208 1134423548 /nfs/dbraw/zinc/42/35/48/1134423548.db2.gz MBCMHHZEHBUNOL-UHFFFAOYSA-N 0 1 266.348 3.760 20 0 CHADMN Cc1ncc(Nc2ccnc(C(C)(C)C)c2)nc1C ZINC001213163079 1134433410 /nfs/dbraw/zinc/43/34/10/1134433410.db2.gz UGHIHSMJIYKKNX-UHFFFAOYSA-N 0 1 256.353 3.530 20 0 CHADMN Cc1ncn(C)c1Nc1ccccc1OCC(C)C ZINC001213251682 1134437341 /nfs/dbraw/zinc/43/73/41/1134437341.db2.gz CKMNIVSHJOSAGF-UHFFFAOYSA-N 0 1 259.353 3.507 20 0 CHADMN O=c1cc(Nc2c(F)cccc2C2CC2)nc(Cl)[nH]1 ZINC001213449775 1134449517 /nfs/dbraw/zinc/44/95/17/1134449517.db2.gz RYRNAJYMBJGDNL-UHFFFAOYSA-N 0 1 279.702 3.596 20 0 CHADMN Cc1ccc(Cl)cc1-c1noc(-c2cc(Cl)[nH]n2)n1 ZINC001213498712 1134455721 /nfs/dbraw/zinc/45/57/21/1134455721.db2.gz ROCXPPGICOLMBO-UHFFFAOYSA-N 0 1 295.129 3.742 20 0 CHADMN COc1cccc(C2CC2)c1Nc1nnc(-c2ccco2)o1 ZINC001213812026 1134487495 /nfs/dbraw/zinc/48/74/95/1134487495.db2.gz JORURXOOSSPWFP-UHFFFAOYSA-N 0 1 297.314 3.959 20 0 CHADMN Nc1nc2ccccc2n1-c1cc(F)c(Cl)cc1F ZINC001213935364 1134498514 /nfs/dbraw/zinc/49/85/14/1134498514.db2.gz WHXJVMQAPGCSEG-UHFFFAOYSA-N 0 1 279.677 3.539 20 0 CHADMN CCCOc1cc(F)ccc1-n1c(N)nc2ccccc21 ZINC001214078372 1134508593 /nfs/dbraw/zinc/50/85/93/1134508593.db2.gz LMSSKFOPUSZZRM-UHFFFAOYSA-N 0 1 285.322 3.536 20 0 CHADMN Cc1ncc(Nc2c(F)cc(Cl)cc2Cl)n1C ZINC001214549986 1134549884 /nfs/dbraw/zinc/54/98/84/1134549884.db2.gz VYVURENDOWREJQ-UHFFFAOYSA-N 0 1 274.126 3.918 20 0 CHADMN Oc1c(Cl)ccc(Nc2ncc(F)s2)c1F ZINC001214791341 1134574118 /nfs/dbraw/zinc/57/41/18/1134574118.db2.gz RQUPBFXNMPQAMZ-UHFFFAOYSA-N 0 1 262.668 3.524 20 0 CHADMN Cc1cnn(CC2CC2)c1Nc1ccc(Cl)c(O)c1F ZINC001214798462 1134574591 /nfs/dbraw/zinc/57/45/91/1134574591.db2.gz SOGSCKSJGQDNJS-UHFFFAOYSA-N 0 1 295.745 3.843 20 0 CHADMN Cc1cccc(Nc2ccc(Cl)c(O)c2F)c1O ZINC001214799297 1134574616 /nfs/dbraw/zinc/57/46/16/1134574616.db2.gz QGJRFSQGGZSPKP-UHFFFAOYSA-N 0 1 267.687 3.942 20 0 CHADMN Cn1cc2c(cccc2Nc2ccc(Cl)c(O)c2F)n1 ZINC001214801188 1134574882 /nfs/dbraw/zinc/57/48/82/1134574882.db2.gz CVWVQYDGPWWFLI-UHFFFAOYSA-N 0 1 291.713 3.815 20 0 CHADMN COc1cccc(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214799344 1134574961 /nfs/dbraw/zinc/57/49/61/1134574961.db2.gz SDKRHHPFGDAYSJ-UHFFFAOYSA-N 0 1 267.687 3.937 20 0 CHADMN Cc1cc(N)ccc1Nc1ccc(Cl)c(O)c1F ZINC001214801152 1134575563 /nfs/dbraw/zinc/57/55/63/1134575563.db2.gz AWBCSNIKJPEBKN-UHFFFAOYSA-N 0 1 266.703 3.819 20 0 CHADMN Nc1ccc2c(c1)CCCN2c1ccc(Cl)c(O)c1F ZINC001214806616 1134576219 /nfs/dbraw/zinc/57/62/19/1134576219.db2.gz KAFDPRMHCCTOLY-UHFFFAOYSA-N 0 1 292.741 3.851 20 0 CHADMN Cc1cc(Nc2c(C)cc(CO)cc2C)c2ccccc2n1 ZINC001214943811 1134584403 /nfs/dbraw/zinc/58/44/03/1134584403.db2.gz COHFEYGJZSAUKX-UHFFFAOYSA-N 0 1 292.382 3.818 20 0 CHADMN CSc1ccc(Nc2ccncc2)cc1Cl ZINC001215065712 1134595825 /nfs/dbraw/zinc/59/58/25/1134595825.db2.gz PZEQMKZNUVYHHW-UHFFFAOYSA-N 0 1 250.754 3.622 20 0 CHADMN COc1cc(Cl)c(C)cc1N[C@H]1CCCc2[nH]ncc21 ZINC000401547525 1134616326 /nfs/dbraw/zinc/61/63/26/1134616326.db2.gz MTWYDDZAPUWUKE-LBPRGKRZSA-N 0 1 291.782 3.870 20 0 CHADMN FC(F)(F)Oc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1 ZINC000401756809 1134619218 /nfs/dbraw/zinc/61/92/18/1134619218.db2.gz ZVAKMAYLEDVMFO-LBPRGKRZSA-N 0 1 297.280 3.798 20 0 CHADMN CC(C)c1nnc(Nc2ccc(F)c(F)c2Cl)o1 ZINC001215399486 1134623282 /nfs/dbraw/zinc/62/32/82/1134623282.db2.gz GAWMHKKSAAFMTF-UHFFFAOYSA-N 0 1 273.670 3.868 20 0 CHADMN Fc1cc(Nc2ccc(F)c(F)c2F)cc2[nH]ncc21 ZINC001215555244 1134640374 /nfs/dbraw/zinc/64/03/74/1134640374.db2.gz RHCXGQBKBWSAKG-UHFFFAOYSA-N 0 1 281.212 3.863 20 0 CHADMN Fc1cc(Nc2cnc(C3CC3)s2)cc2[nH]ncc21 ZINC001215554903 1134640589 /nfs/dbraw/zinc/64/05/89/1134640589.db2.gz FTAXYRHBTWJPRQ-UHFFFAOYSA-N 0 1 274.324 3.780 20 0 CHADMN Fc1cc(Nc2ccc3ccncc3c2)cc2[nH]ncc21 ZINC001215556017 1134640629 /nfs/dbraw/zinc/64/06/29/1134640629.db2.gz UDDNWBDKSQBBDW-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Fc1cc(Nc2ccccc2-n2ccnc2)cc2[nH]ncc21 ZINC001215554772 1134641197 /nfs/dbraw/zinc/64/11/97/1134641197.db2.gz HDXFMCHSJINTBJ-UHFFFAOYSA-N 0 1 293.305 3.631 20 0 CHADMN CN(c1cc2[nH]ncc2c(F)c1)c1cc(Cl)ccc1N ZINC001215556527 1134642035 /nfs/dbraw/zinc/64/20/35/1134642035.db2.gz GAPWRCNADSHJKV-UHFFFAOYSA-N 0 1 290.729 3.706 20 0 CHADMN COC(=O)c1ccc(C)c(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215556184 1134642156 /nfs/dbraw/zinc/64/21/56/1134642156.db2.gz WYZRCWPCTBEGQL-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN O=C1CCc2c1cccc2Nc1cc2[nH]ncc2c(F)c1 ZINC001215556299 1134642706 /nfs/dbraw/zinc/64/27/06/1134642706.db2.gz YZEDWAMILFTGCZ-UHFFFAOYSA-N 0 1 281.290 3.575 20 0 CHADMN Cc1ncn(C)c1Nc1cc(OC(C)C)ccc1C ZINC001215584139 1134648508 /nfs/dbraw/zinc/64/85/08/1134648508.db2.gz YPKDKLGIBJNLAX-UHFFFAOYSA-N 0 1 259.353 3.568 20 0 CHADMN Cc1cc(Nc2ccc(C)c3[nH]ncc32)n(CC2CC2)n1 ZINC001215756782 1134674633 /nfs/dbraw/zinc/67/46/33/1134674633.db2.gz YCYPQWHHQXRULI-UHFFFAOYSA-N 0 1 281.363 3.530 20 0 CHADMN Cc1ccc(Nc2cnc3c(c2)CCCC3)c2cn[nH]c21 ZINC001215756166 1134675065 /nfs/dbraw/zinc/67/50/65/1134675065.db2.gz LHOHHRDPVIMRGC-UHFFFAOYSA-N 0 1 278.359 3.889 20 0 CHADMN COc1cnc(Cl)c(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215755761 1134675371 /nfs/dbraw/zinc/67/53/71/1134675371.db2.gz AONOKSDOXQHNRD-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1ccc(Nc2ccc(Cl)nc2C)c2cn[nH]c21 ZINC001215755250 1134675378 /nfs/dbraw/zinc/67/53/78/1134675378.db2.gz LDISNQCXGCPGRQ-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1ccc(Nc2ccc(OCC3CC3)nc2)c2cn[nH]c21 ZINC001215757710 1134675778 /nfs/dbraw/zinc/67/57/78/1134675778.db2.gz XOZKZJQPJPXQDE-UHFFFAOYSA-N 0 1 294.358 3.799 20 0 CHADMN COC(=O)c1ccc(Nc2ccc(C)c3[nH]ncc32)cc1F ZINC001215758396 1134676454 /nfs/dbraw/zinc/67/64/54/1134676454.db2.gz SITCYNZMWRYKOL-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN COC(=O)c1cc(Nc2ccc(C)c3[nH]ncc32)ccc1C ZINC001215757955 1134676491 /nfs/dbraw/zinc/67/64/91/1134676491.db2.gz ATONBUGHSZVSTF-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1ccc(Nc2cccc(-n3ccnc3)c2)c2cn[nH]c21 ZINC001215757436 1134676651 /nfs/dbraw/zinc/67/66/51/1134676651.db2.gz TWZGAEANIUQANL-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN COc1cc(Cl)ncc1Nc1ccc(C)c2[nH]ncc21 ZINC001215757076 1134676700 /nfs/dbraw/zinc/67/67/00/1134676700.db2.gz LEKKUJLVBKHCNS-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1ccc(N)c(N(C)c2ccc(C)c3[nH]ncc32)c1 ZINC001215759123 1134677707 /nfs/dbraw/zinc/67/77/07/1134677707.db2.gz FPSJBCPCLWJSCJ-UHFFFAOYSA-N 0 1 266.348 3.530 20 0 CHADMN COCOc1cccc(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215759424 1134677893 /nfs/dbraw/zinc/67/78/93/1134677893.db2.gz KFOJQXGEFNOAGA-UHFFFAOYSA-N 0 1 283.331 3.598 20 0 CHADMN Cc1ccc(F)c(-c2noc(-c3ccc(O)c(F)c3)n2)c1 ZINC001215792265 1134687569 /nfs/dbraw/zinc/68/75/69/1134687569.db2.gz NCPRWWBFRAWTME-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN CCOc1ccc(Nc2cc(Cl)cc3[nH]ncc32)cn1 ZINC001215857575 1134704454 /nfs/dbraw/zinc/70/44/54/1134704454.db2.gz UGLCFWPFVBLORF-UHFFFAOYSA-N 0 1 288.738 3.754 20 0 CHADMN Cn1cc2c(cccc2Nc2cc(Cl)cc3[nH]ncc32)n1 ZINC001215860746 1134705294 /nfs/dbraw/zinc/70/52/94/1134705294.db2.gz JDQWPGXVKBJCPI-UHFFFAOYSA-N 0 1 297.749 3.847 20 0 CHADMN Cc1ccc(Nc2cc(Cl)cc3[nH]ncc32)cc1O ZINC001215861022 1134706026 /nfs/dbraw/zinc/70/60/26/1134706026.db2.gz QHOFJYPNZNETQT-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Oc1c(F)cccc1-c1nc(-c2cccc3occc32)no1 ZINC001215863138 1134706411 /nfs/dbraw/zinc/70/64/11/1134706411.db2.gz QPVBLFMYPCWGII-UHFFFAOYSA-N 0 1 296.257 3.995 20 0 CHADMN CCOc1cc(C)ccc1-n1c(N)nc2c1cccc2C ZINC001215874259 1134710170 /nfs/dbraw/zinc/71/01/70/1134710170.db2.gz ZJGSJGGJADRJQK-UHFFFAOYSA-N 0 1 281.359 3.623 20 0 CHADMN CSc1ccc(Cl)cc1Nc1c(C)ncn1C ZINC001215913318 1134717822 /nfs/dbraw/zinc/71/78/22/1134717822.db2.gz DWVNOQWBGMNNBA-UHFFFAOYSA-N 0 1 267.785 3.847 20 0 CHADMN COc1ccc(-n2c(N)nc3c2cccc3C)cc1SC ZINC001215931357 1134724433 /nfs/dbraw/zinc/72/44/33/1134724433.db2.gz ZWWFACXFZJKOMA-UHFFFAOYSA-N 0 1 299.399 3.647 20 0 CHADMN Cc1ccc2nc(N)n(-c3cc(F)cc(F)c3Cl)c2c1 ZINC001215951957 1134728776 /nfs/dbraw/zinc/72/87/76/1134728776.db2.gz KEGCRCDGUJOOKX-UHFFFAOYSA-N 0 1 293.704 3.848 20 0 CHADMN Cc1ncn(-c2cc(-c3ccccc3)ccc2C)c1N ZINC001215988274 1134742009 /nfs/dbraw/zinc/74/20/09/1134742009.db2.gz SSRJEGWIDDUWHL-UHFFFAOYSA-N 0 1 263.344 3.738 20 0 CHADMN Cc1cc(Nc2cc(C)c(CO)c(C)c2)c2ccccc2n1 ZINC001216117815 1134782726 /nfs/dbraw/zinc/78/27/26/1134782726.db2.gz MKXLCOTYWMCEPV-UHFFFAOYSA-N 0 1 292.382 3.818 20 0 CHADMN O=c1cc(Nc2cccc(-c3ccncc3)c2)nc(Cl)[nH]1 ZINC001216144223 1134790970 /nfs/dbraw/zinc/79/09/70/1134790970.db2.gz DSUNJBFBAXHAAU-UHFFFAOYSA-N 0 1 298.733 3.641 20 0 CHADMN CN(C)Cc1cccc(Nc2ccccc2F)c1F ZINC001216228493 1134813598 /nfs/dbraw/zinc/81/35/98/1134813598.db2.gz JFTNQYYVBOQOOT-UHFFFAOYSA-N 0 1 262.303 3.770 20 0 CHADMN CC(C)c1nccnc1Nc1cccc(CN(C)C)c1F ZINC001216228974 1134813799 /nfs/dbraw/zinc/81/37/99/1134813799.db2.gz YCDYHXHTNYFBGY-UHFFFAOYSA-N 0 1 288.370 3.544 20 0 CHADMN CCCc1cc(Nc2cccc(CN(C)C)c2F)on1 ZINC001216226789 1134813957 /nfs/dbraw/zinc/81/39/57/1134813957.db2.gz ABEUCQVEXOIKAT-UHFFFAOYSA-N 0 1 277.343 3.571 20 0 CHADMN CN(C)Cc1cccc(Nc2cc(N)cc(Cl)c2)c1F ZINC001216232262 1134814525 /nfs/dbraw/zinc/81/45/25/1134814525.db2.gz PUEISWXFKADHET-UHFFFAOYSA-N 0 1 293.773 3.867 20 0 CHADMN CN(C)Cc1cccc(Nc2cc(F)cc(F)c2O)c1F ZINC001216232463 1134816719 /nfs/dbraw/zinc/81/67/19/1134816719.db2.gz VVVDBCALALCCIP-UHFFFAOYSA-N 0 1 296.292 3.615 20 0 CHADMN COc1cc(Oc2ccccc2)ccc1-n1cnc(C)c1N ZINC001216239570 1134820428 /nfs/dbraw/zinc/82/04/28/1134820428.db2.gz AXMGKNBAIAVASA-UHFFFAOYSA-N 0 1 295.342 3.564 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cnc(Cl)cc1C ZINC001216279860 1134834807 /nfs/dbraw/zinc/83/48/07/1134834807.db2.gz XSFKIWRLBDYOIH-UHFFFAOYSA-N 0 1 290.729 3.882 20 0 CHADMN COc1ccc2nc(N)n(-c3ccc(F)c4ccoc43)c2c1 ZINC001216294937 1134839120 /nfs/dbraw/zinc/83/91/20/1134839120.db2.gz GCGZWVMRWFKADI-UHFFFAOYSA-N 0 1 297.289 3.502 20 0 CHADMN Nc1cncn1-c1ccc(Oc2ccccc2)c(Cl)c1 ZINC001216304994 1134844748 /nfs/dbraw/zinc/84/47/48/1134844748.db2.gz LJGPRZBFSLHCLE-UHFFFAOYSA-N 0 1 285.734 3.900 20 0 CHADMN Cc1c(Cl)cccc1Nc1ccnn1-c1ccncc1 ZINC001216324751 1134855099 /nfs/dbraw/zinc/85/50/99/1134855099.db2.gz XCOYNYCTFFSYDL-UHFFFAOYSA-N 0 1 284.750 3.973 20 0 CHADMN CN(Cc1ccc(O)cc1F)[C@H]1CCc2ccccc21 ZINC000403971973 1134902470 /nfs/dbraw/zinc/90/24/70/1134902470.db2.gz BYFNOGLUWKZIOG-KRWDZBQOSA-N 0 1 271.335 3.651 20 0 CHADMN CCc1cccnc1Nc1cncn1Cc1ccccc1 ZINC001216549572 1134919237 /nfs/dbraw/zinc/91/92/37/1134919237.db2.gz MTERXQOEOGCXTQ-UHFFFAOYSA-N 0 1 278.359 3.632 20 0 CHADMN Oc1ccc(Nc2cncn2Cc2ccccc2)c(F)c1 ZINC001216553971 1134920146 /nfs/dbraw/zinc/92/01/46/1134920146.db2.gz RYICHYJQHARKLB-UHFFFAOYSA-N 0 1 283.306 3.520 20 0 CHADMN COc1cc(C)cc(Nc2cncn2Cc2ccccc2)c1 ZINC001216554012 1134920164 /nfs/dbraw/zinc/92/01/64/1134920164.db2.gz SVCYAWYWUHNQMH-UHFFFAOYSA-N 0 1 293.370 3.992 20 0 CHADMN CCc1ccc(N)c(Nc2cncn2Cc2ccccc2)c1 ZINC001216554407 1134920282 /nfs/dbraw/zinc/92/02/82/1134920282.db2.gz CPDVROMCRBGFCS-UHFFFAOYSA-N 0 1 292.386 3.820 20 0 CHADMN CCc1ccc(O)c(Nc2cncn2Cc2ccccc2)c1 ZINC001216553410 1134920337 /nfs/dbraw/zinc/92/03/37/1134920337.db2.gz AZODGMKBPAOUTL-UHFFFAOYSA-N 0 1 293.370 3.943 20 0 CHADMN Cc1ccc(Nc2cncn2Cc2ccccc2)cc1O ZINC001216553510 1134920442 /nfs/dbraw/zinc/92/04/42/1134920442.db2.gz CYTYVEJEBMDKOA-UHFFFAOYSA-N 0 1 279.343 3.689 20 0 CHADMN C[C@H](CN1CCC=C(Br)C1)c1ccccc1 ZINC000404188596 1134936568 /nfs/dbraw/zinc/93/65/68/1134936568.db2.gz FGXWEHHZVAMPNI-GFCCVEGCSA-N 0 1 280.209 3.775 20 0 CHADMN c1nnc(Nc2ccc(-c3nc4ccccc4o3)cc2)o1 ZINC001216685326 1134945470 /nfs/dbraw/zinc/94/54/70/1134945470.db2.gz BHVRYRZQCQDHPI-UHFFFAOYSA-N 0 1 278.271 3.621 20 0 CHADMN CN[C@H](CC(C)C)c1nnc(CCC2CCCCC2)o1 ZINC001217714759 1134990698 /nfs/dbraw/zinc/99/06/98/1134990698.db2.gz MICNQIGBPWYLKV-CQSZACIVSA-N 0 1 279.428 3.889 20 0 CHADMN Cc1ccccc1-c1noc(-c2cc(O)c(F)c(F)c2)n1 ZINC001216973069 1134956246 /nfs/dbraw/zinc/95/62/46/1134956246.db2.gz HGARQMBFZNOMEX-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Cc1ccc(-c2noc(-c3cnc4[nH]cccc3-4)n2)c(C)c1 ZINC001217145392 1134965361 /nfs/dbraw/zinc/96/53/61/1134965361.db2.gz GZSOMJKPBXWJPN-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Cc1ccc(-c2noc(-c3cnc4[nH]cccc3-4)n2)cc1 ZINC001217144924 1134965405 /nfs/dbraw/zinc/96/54/05/1134965405.db2.gz COZYRUAJGZYSDK-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN Cc1cc(F)cc(-c2noc(-c3cnc4[nH]cccc3-4)n2)c1 ZINC001217144937 1134965849 /nfs/dbraw/zinc/96/58/49/1134965849.db2.gz DAIFAPJZCFZZNW-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Fc1ccc(F)c(-c2noc(-c3cc4cccnc4[nH]3)n2)c1 ZINC001217306029 1134970880 /nfs/dbraw/zinc/97/08/80/1134970880.db2.gz KYUQOHUWMYRVKH-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN Fc1cccc(-c2noc(-c3n[nH]c4c3cccc4F)n2)c1 ZINC001217323460 1134972205 /nfs/dbraw/zinc/97/22/05/1134972205.db2.gz WKZSZHULJSJRET-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN Cc1cccc(-c2noc(-c3cnc4ccc[nH]c3-4)n2)c1C ZINC001217399861 1134976022 /nfs/dbraw/zinc/97/60/22/1134976022.db2.gz XHCHZCAPFYGZSN-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Cc1ccnc(-c2noc(-c3ccc4occc4c3O)n2)c1 ZINC001217514081 1134981563 /nfs/dbraw/zinc/98/15/63/1134981563.db2.gz MCKWAJCXIKXIHO-UHFFFAOYSA-N 0 1 293.282 3.559 20 0 CHADMN Cc1ccc(-c2noc(-c3ccc4occc4c3O)n2)nc1 ZINC001217513789 1134981958 /nfs/dbraw/zinc/98/19/58/1134981958.db2.gz IEIALQWNURISPM-UHFFFAOYSA-N 0 1 293.282 3.559 20 0 CHADMN Cc1[nH]nc2cc(-c3nc(-c4ccc(C)cc4)no3)ccc12 ZINC001217577166 1134984331 /nfs/dbraw/zinc/98/43/31/1134984331.db2.gz WMTXJZBUSBFEQA-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN CCc1ccc(-c2noc(-c3cccc4cncn43)n2)cc1 ZINC001217589618 1134985109 /nfs/dbraw/zinc/98/51/09/1134985109.db2.gz WEHRCRAARTVAQW-UHFFFAOYSA-N 0 1 290.326 3.614 20 0 CHADMN C[C@@H]1CCN[C@H](c2nnc(-c3ccc4ccccc4c3)o2)C1 ZINC001217702919 1134989534 /nfs/dbraw/zinc/98/95/34/1134989534.db2.gz QAVHANSGJFVDPT-WBMJQRKESA-N 0 1 293.370 3.950 20 0 CHADMN CC(C)(C)c1ccc(-c2nnc([C@H]3CCCCN3)o2)cc1 ZINC001217709044 1134989622 /nfs/dbraw/zinc/98/96/22/1134989622.db2.gz FBWYSTWRGFXGBY-CQSZACIVSA-N 0 1 285.391 3.849 20 0 CHADMN CN[C@H](CC(C)C)c1nnc([C@H]2C[C@@H]2c2ccc(C)cc2)o1 ZINC001217714891 1134991128 /nfs/dbraw/zinc/99/11/28/1134991128.db2.gz OMVVKWQXXJNOQG-OWCLPIDISA-N 0 1 299.418 3.956 20 0 CHADMN CC(C)C[C@@](C)(N)c1nnc([C@H]2C[C@H]2c2ccccc2)o1 ZINC001217734622 1134994060 /nfs/dbraw/zinc/99/40/60/1134994060.db2.gz YDYJEWVFWFXTNW-GRDNDAEWSA-N 0 1 285.391 3.561 20 0 CHADMN CC(C)C[C@@](C)(N)c1nnc(Cc2cccc(Cl)c2)o1 ZINC001217733594 1134994138 /nfs/dbraw/zinc/99/41/38/1134994138.db2.gz QAWOSJFNOYQBJN-OAHLLOKOSA-N 0 1 293.798 3.534 20 0 CHADMN CCCCC[C@H](NC)c1nnc(Cc2ccc(F)cc2)o1 ZINC001217756355 1134995154 /nfs/dbraw/zinc/99/51/54/1134995154.db2.gz MEVKLOLJXBCXMK-AWEZNQCLSA-N 0 1 291.370 3.640 20 0 CHADMN C[C@@H]1CC[C@H](OCc2cccc3nc[nH]c32)C[C@@H]1C ZINC001217871002 1135013226 /nfs/dbraw/zinc/01/32/26/1135013226.db2.gz PLNWTYCMSYJRFP-DYEKYZERSA-N 0 1 258.365 3.904 20 0 CHADMN C=Cc1ccc(C(=O)Nc2ccc3c(C)[nH]nc3c2)cc1 ZINC000192200135 1135145175 /nfs/dbraw/zinc/14/51/75/1135145175.db2.gz QCRORDHTYVTGML-UHFFFAOYSA-N 0 1 277.327 3.767 20 0 CHADMN C[C@@H](NC[C@@H]1CCC=CO1)c1nc(C(C)(C)C)cs1 ZINC000194408460 1135162399 /nfs/dbraw/zinc/16/23/99/1135162399.db2.gz GWMRCPUDGZUWSE-NEPJUHHUSA-N 0 1 280.437 3.784 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]1Cc1cccc(O)c1Br ZINC000316139573 1135164825 /nfs/dbraw/zinc/16/48/25/1135164825.db2.gz POIIXJNSFMSZCJ-LBPRGKRZSA-N 0 1 298.224 3.775 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+]1Cc1cccc([O-])c1Br ZINC000316139573 1135164827 /nfs/dbraw/zinc/16/48/27/1135164827.db2.gz POIIXJNSFMSZCJ-LBPRGKRZSA-N 0 1 298.224 3.775 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]1Cc1cccc([O-])c1Br ZINC000316139573 1135164830 /nfs/dbraw/zinc/16/48/30/1135164830.db2.gz POIIXJNSFMSZCJ-LBPRGKRZSA-N 0 1 298.224 3.775 20 0 CHADMN Nc1nc2ccccc2n1-c1ccc(N2CCCCC2)cc1 ZINC000316186123 1135166180 /nfs/dbraw/zinc/16/61/80/1135166180.db2.gz VVRKKSGJJOBCNV-UHFFFAOYSA-N 0 1 292.386 3.598 20 0 CHADMN COc1ccc2nc(N)n(-c3ccc4ccccc4c3)c2c1 ZINC000316528804 1135167259 /nfs/dbraw/zinc/16/72/59/1135167259.db2.gz GDUZOJWJGMPHHW-UHFFFAOYSA-N 0 1 289.338 3.770 20 0 CHADMN CC[C@@H](NC(=O)[C@@H](N)c1ccccc1)c1ccc(C)cc1C ZINC001220963124 1135167400 /nfs/dbraw/zinc/16/74/00/1135167400.db2.gz VZERWMOJLOHQMG-MSOLQXFVSA-N 0 1 296.414 3.571 20 0 CHADMN O=C(NCc1cccc2ccccc21)c1ccc(F)cc1O ZINC000320071901 1135206064 /nfs/dbraw/zinc/20/60/64/1135206064.db2.gz VHSMQRGIKFGEAG-UHFFFAOYSA-N 0 1 295.313 3.615 20 0 CHADMN Cc1cnc(-c2cc(C)c(Cl)cc2F)cc1N ZINC001222221268 1135209861 /nfs/dbraw/zinc/20/98/61/1135209861.db2.gz VAONMVLDZYYORL-UHFFFAOYSA-N 0 1 250.704 3.740 20 0 CHADMN C[C@H](OCc1cnc[nH]1)c1c(F)cccc1Br ZINC001223008562 1135294037 /nfs/dbraw/zinc/29/40/37/1135294037.db2.gz ZPMPAWWHDIIEKX-QMMMGPOBSA-N 0 1 299.143 3.589 20 0 CHADMN Clc1ccc(CN2CC[C@H](OCc3ccco3)C2)cc1 ZINC001223050419 1135299081 /nfs/dbraw/zinc/29/90/81/1135299081.db2.gz LVJJBWGMBKHHGO-HNNXBMFYSA-N 0 1 291.778 3.724 20 0 CHADMN Cc1ccc(CO[C@H]2CCN3Cc4ccccc4N=C23)s1 ZINC001223190305 1135314711 /nfs/dbraw/zinc/31/47/11/1135314711.db2.gz KEAOOJOTYCZOAD-INIZCTEOSA-N 0 1 298.411 3.891 20 0 CHADMN COc1ccc2ccccc2c1COC1CN(C(C)(C)C)C1 ZINC001223211515 1135317424 /nfs/dbraw/zinc/31/74/24/1135317424.db2.gz VVUWBDYAUUOYKV-UHFFFAOYSA-N 0 1 299.414 3.848 20 0 CHADMN [S-]c1ccc(C[N@H+]2C[C@@H]3CNc4ccccc4[C@H]3C2)cc1 ZINC001224262242 1135434252 /nfs/dbraw/zinc/43/42/52/1135434252.db2.gz CUZTYAIJFZWFCF-YOEHRIQHSA-N 0 1 296.439 3.616 20 0 CHADMN CN1CCCC[C@@H]1CO[C@@H](c1ccccc1)C(F)(F)F ZINC001224702931 1135472597 /nfs/dbraw/zinc/47/25/97/1135472597.db2.gz PGYOJMLPLMXWIB-KGLIPLIRSA-N 0 1 287.325 3.791 20 0 CHADMN CC(C)CCC[C@@H](C)CCO[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001224770611 1135480528 /nfs/dbraw/zinc/48/05/28/1135480528.db2.gz CCNWLFVJRFIXIJ-ATLSCFEFSA-N 0 1 295.467 3.660 20 0 CHADMN CC(C)(C)N1CC(OCCCCCOc2ccccc2)C1 ZINC001224940031 1135495371 /nfs/dbraw/zinc/49/53/71/1135495371.db2.gz TVAHWWBUNKSDGT-UHFFFAOYSA-N 0 1 291.435 3.735 20 0 CHADMN Fc1cccc(F)c1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001225200961 1135512546 /nfs/dbraw/zinc/51/25/46/1135512546.db2.gz XNFJIRFCOCOWFC-CQSZACIVSA-N 0 1 289.325 3.618 20 0 CHADMN Fc1cccc(F)c1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001225200961 1135512552 /nfs/dbraw/zinc/51/25/52/1135512552.db2.gz XNFJIRFCOCOWFC-CQSZACIVSA-N 0 1 289.325 3.618 20 0 CHADMN Cc1ccc(Cl)c(O[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC001225204733 1135513568 /nfs/dbraw/zinc/51/35/68/1135513568.db2.gz VOLHPEWLABJCGV-GFCCVEGCSA-N 0 1 253.773 3.510 20 0 CHADMN CC(C)(C)N1CC(Oc2ccc3nc(Cl)ccc3c2)C1 ZINC001225388832 1135556894 /nfs/dbraw/zinc/55/68/94/1135556894.db2.gz RAWIIDJWBFEGTE-UHFFFAOYSA-N 0 1 290.794 3.750 20 0 CHADMN CC(C)N1CCC[C@H](Oc2c(F)cccc2Cl)C1 ZINC001225865444 1135630940 /nfs/dbraw/zinc/63/09/40/1135630940.db2.gz ZYYMFJSGEJOWKP-NSHDSACASA-N 0 1 271.763 3.731 20 0 CHADMN CCN1CCC[C@@H](Oc2c(Cl)ccc(C)c2F)C1 ZINC001225931139 1135641110 /nfs/dbraw/zinc/64/11/10/1135641110.db2.gz DFPPDGMUMPMFLL-LLVKDONJSA-N 0 1 271.763 3.651 20 0 CHADMN Cc1ccccc1[C@H](C)Oc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC001225981029 1135647699 /nfs/dbraw/zinc/64/76/99/1135647699.db2.gz VLCFTINPMBSMKM-VIFPVBQESA-N 0 1 298.264 3.649 20 0 CHADMN CCC[C@H](Oc1cccc2[nH]nnc21)c1ccccc1 ZINC001225991061 1135649196 /nfs/dbraw/zinc/64/91/96/1135649196.db2.gz RVBRYSCLTIBQJC-AWEZNQCLSA-N 0 1 267.332 3.878 20 0 CHADMN Clc1ccc2c(c1)[C@H](Oc1cccc3[nH]nnc31)CC2 ZINC001225992171 1135649631 /nfs/dbraw/zinc/64/96/31/1135649631.db2.gz PTCBWNABOLRNNV-CYBMUJFWSA-N 0 1 285.734 3.678 20 0 CHADMN C[C@H](Oc1n[nH]c2ncccc12)c1cccc(Cl)c1 ZINC001226301816 1135682100 /nfs/dbraw/zinc/68/21/00/1135682100.db2.gz FZFVHHNARDPDOD-VIFPVBQESA-N 0 1 273.723 3.751 20 0 CHADMN Nc1cc(O[C@H]2CCCc3cccnc32)c2ccccc2n1 ZINC001226418065 1135694464 /nfs/dbraw/zinc/69/44/64/1135694464.db2.gz HWNDENFVKDCEGV-HNNXBMFYSA-N 0 1 291.354 3.668 20 0 CHADMN Nc1cc(OC2CCCCCC2)c2ccccc2n1 ZINC001226420406 1135694761 /nfs/dbraw/zinc/69/47/61/1135694761.db2.gz ZVILJRYYDNUPJC-UHFFFAOYSA-N 0 1 256.349 3.919 20 0 CHADMN C[C@H]1CCC[C@H](Oc2cc(N)nc3ccccc32)C1 ZINC001226415964 1135694916 /nfs/dbraw/zinc/69/49/16/1135694916.db2.gz BNJFDXBVKSSUQR-RYUDHWBXSA-N 0 1 256.349 3.775 20 0 CHADMN Fc1ccc2nc(O[C@H]3CCc4ccccc43)[nH]c2c1 ZINC001226700821 1135730302 /nfs/dbraw/zinc/73/03/02/1135730302.db2.gz CJTRWANDTXBIRU-HNNXBMFYSA-N 0 1 268.291 3.768 20 0 CHADMN COc1cccc([C@@H](C)Oc2nc3ccc(F)cc3[nH]2)c1 ZINC001226701194 1135730357 /nfs/dbraw/zinc/73/03/57/1135730357.db2.gz MFQDENBLQTUYDB-SNVBAGLBSA-N 0 1 286.306 3.851 20 0 CHADMN Cc1cnc(F)c([C@@H](C)Oc2nc3ccc(F)cc3[nH]2)c1 ZINC001226705294 1135731743 /nfs/dbraw/zinc/73/17/43/1135731743.db2.gz ZGTORSFBRBESLN-SECBINFHSA-N 0 1 289.285 3.685 20 0 CHADMN Fc1ccc2nc(OC3CCC(F)(F)CC3)[nH]c2c1 ZINC001226702300 1135732070 /nfs/dbraw/zinc/73/20/70/1135732070.db2.gz ZGWPTWOWHQKRAE-UHFFFAOYSA-N 0 1 270.254 3.659 20 0 CHADMN COc1ccccc1[C@H](C)Oc1ccc2nc[nH]c2c1 ZINC001226927771 1135762146 /nfs/dbraw/zinc/76/21/46/1135762146.db2.gz AVQZYWBNLKFHJA-NSHDSACASA-N 0 1 268.316 3.712 20 0 CHADMN Cc1ccccc1[C@@H](C)Oc1[nH]c(=O)nc2ccccc21 ZINC001226977119 1135769577 /nfs/dbraw/zinc/76/95/77/1135769577.db2.gz MMLVHAXLPRRTGL-GFCCVEGCSA-N 0 1 280.327 3.784 20 0 CHADMN C[C@@H](Oc1nc2ccc(Cl)cc2[nH]1)C(F)(F)F ZINC001227262238 1135812198 /nfs/dbraw/zinc/81/21/98/1135812198.db2.gz KITPFFOZIRWFAY-RXMQYKEDSA-N 0 1 264.634 3.546 20 0 CHADMN Clc1ccc2nc(O[C@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1 ZINC001227262297 1135812617 /nfs/dbraw/zinc/81/26/17/1135812617.db2.gz MEMUBBNHFCOJJV-RWEMILLDSA-N 0 1 260.724 3.560 20 0 CHADMN Cc1cccc2nc(O[C@H](C)COc3ccccc3)[nH]c21 ZINC001227271070 1135813530 /nfs/dbraw/zinc/81/35/30/1135813530.db2.gz HOMQNYBNCGYKDK-CYBMUJFWSA-N 0 1 282.343 3.718 20 0 CHADMN CN1CC[C@@H](Oc2ccc(C(C)(C)C)cc2Cl)C1 ZINC001227301900 1135819016 /nfs/dbraw/zinc/81/90/16/1135819016.db2.gz RALDFJARFKSSIK-GFCCVEGCSA-N 0 1 267.800 3.720 20 0 CHADMN CC[C@H](F)CN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000352817196 529438738 /nfs/dbraw/zinc/43/87/38/529438738.db2.gz QGLKZWOAKHLJJV-GXFFZTMASA-N 0 1 294.197 3.755 20 0 CHADMN CCn1cccc1CN(C)Cc1cc2ccccc2o1 ZINC000353675655 529547415 /nfs/dbraw/zinc/54/74/15/529547415.db2.gz VGBYLJYBQJSHMV-UHFFFAOYSA-N 0 1 268.360 3.886 20 0 CHADMN CCc1ccc(CN2CCC[C@H](Oc3ccccc3)C2)cn1 ZINC000347632346 529640336 /nfs/dbraw/zinc/64/03/36/529640336.db2.gz BEXBNLXBCWXWOB-IBGZPJMESA-N 0 1 296.414 3.687 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(CC)nc2)cc1 ZINC000347576356 529636674 /nfs/dbraw/zinc/63/66/74/529636674.db2.gz BDSUWUVDANTTJJ-UHFFFAOYSA-N 0 1 268.404 3.838 20 0 CHADMN CCc1ccc(CN(Cc2cncc(F)c2)C2CC2)cc1 ZINC000344682139 529638421 /nfs/dbraw/zinc/63/84/21/529638421.db2.gz UFMUPXLAISZIOM-UHFFFAOYSA-N 0 1 284.378 3.948 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@H](C)c1cc(C)ccn1 ZINC000353631767 529681923 /nfs/dbraw/zinc/68/19/23/529681923.db2.gz MTQLZQMEXNGORE-UONOGXRCSA-N 0 1 269.392 3.759 20 0 CHADMN CN(C/C=C\c1ccc(F)cc1F)Cc1cccnc1 ZINC000350454228 529820631 /nfs/dbraw/zinc/82/06/31/529820631.db2.gz FFPLIRPBSLSCEF-HYXAFXHYSA-N 0 1 274.314 3.505 20 0 CHADMN CN(CCCC(=O)OC(C)(C)C)Cc1cc(F)cc(F)c1 ZINC000353439133 529880652 /nfs/dbraw/zinc/88/06/52/529880652.db2.gz HYAXAFLCWSRPSH-UHFFFAOYSA-N 0 1 299.361 3.519 20 0 CHADMN CN1CCC[C@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000114073413 530062618 /nfs/dbraw/zinc/06/26/18/530062618.db2.gz ANNIQQXDVQSIAS-HNNXBMFYSA-N 0 1 294.354 3.619 20 0 CHADMN CC[C@@H]1CCCN(Cc2ncc(C(C)(C)C)o2)C1 ZINC000409445135 260403236 /nfs/dbraw/zinc/40/32/36/260403236.db2.gz BEHKFEGPRSBTEG-GFCCVEGCSA-N 0 1 250.386 3.594 20 0 CHADMN CCO[C@@H]1C[C@@H]1N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000574030735 334986042 /nfs/dbraw/zinc/98/60/42/334986042.db2.gz PSNFEOGCVNXYLE-RCCFBDPRSA-N 0 1 285.362 3.682 20 0 CHADMN COc1ccc(F)c(CNC/C=C/c2ccccc2)c1 ZINC000574215096 335001516 /nfs/dbraw/zinc/00/15/16/335001516.db2.gz ZPXBMASMSGMZKO-VMPITWQZSA-N 0 1 271.335 3.637 20 0 CHADMN CCOCc1ccc(CN[C@H](C)c2ccco2)cc1 ZINC000151642719 260983332 /nfs/dbraw/zinc/98/33/32/260983332.db2.gz ACRGRSOIHNAVET-CYBMUJFWSA-N 0 1 259.349 3.667 20 0 CHADMN Cc1oc([C@H](C)[N@H+]2CC[C@H](CC(C)C)C2)cc1C(=O)[O-] ZINC000574285032 335006922 /nfs/dbraw/zinc/00/69/22/335006922.db2.gz ZSABXPVVWZUPJS-WCQYABFASA-N 0 1 279.380 3.715 20 0 CHADMN CCCCN(C)Cc1ccc(OC)cc1Br ZINC000574319716 335010121 /nfs/dbraw/zinc/01/01/21/335010121.db2.gz CNQRLKMVZIBUAD-UHFFFAOYSA-N 0 1 286.213 3.690 20 0 CHADMN CC(C)Sc1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000574340750 335012476 /nfs/dbraw/zinc/01/24/76/335012476.db2.gz SPFIQXSPVYGBKY-UHFFFAOYSA-N 0 1 293.432 3.626 20 0 CHADMN Cc1ccccc1-c1nc(CNC2(C3CCC3)CCC2)no1 ZINC000574416687 335018329 /nfs/dbraw/zinc/01/83/29/335018329.db2.gz XVBIELOPFUWFNU-UHFFFAOYSA-N 0 1 297.402 3.857 20 0 CHADMN CC(C)(C)CC[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000574652061 335037752 /nfs/dbraw/zinc/03/77/52/335037752.db2.gz LHHUURLTZSYUAX-LSDHHAIUSA-N 0 1 275.392 3.713 20 0 CHADMN CSc1ccc(CN[C@H](C)c2ccccn2)s1 ZINC000352856137 532959878 /nfs/dbraw/zinc/95/98/78/532959878.db2.gz VPTWUFPQCDLSKI-SNVBAGLBSA-N 0 1 264.419 3.716 20 0 CHADMN COc1ccccc1[C@H]1CCCN1Cc1cccc(C)n1 ZINC000347360983 533024530 /nfs/dbraw/zinc/02/45/30/533024530.db2.gz HGIFGEKDUGYOBQ-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN CC1(C)CC[C@H]1NCc1nnc(-c2ccccc2Cl)o1 ZINC000574819381 335050159 /nfs/dbraw/zinc/05/01/59/335050159.db2.gz CZCLVIKJDLSUBC-GFCCVEGCSA-N 0 1 291.782 3.668 20 0 CHADMN Cc1cccc(C)c1[C@@H](C)N[C@H](C)c1cnccn1 ZINC000355072955 227370180 /nfs/dbraw/zinc/37/01/80/227370180.db2.gz YSNQSCBMWQWJLN-ZIAGYGMSSA-N 0 1 255.365 3.505 20 0 CHADMN Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000574884587 335055150 /nfs/dbraw/zinc/05/51/50/335055150.db2.gz UCSVSQYSUMLDIY-ZFWWWQNUSA-N 0 1 299.370 3.664 20 0 CHADMN CC(C)CCc1noc(CN(C)[C@H]2CCC[C@H](C)C2)n1 ZINC000519968902 260035522 /nfs/dbraw/zinc/03/55/22/260035522.db2.gz UUPHGYLLKFRNCW-KBPBESRZSA-N 0 1 279.428 3.669 20 0 CHADMN CCCCN(CCCC)Cc1nccn1CC(F)(F)F ZINC000171376221 335063732 /nfs/dbraw/zinc/06/37/32/335063732.db2.gz HTEUCDDTDCPMDY-UHFFFAOYSA-N 0 1 291.361 3.848 20 0 CHADMN C[C@@H](CCC(F)(F)F)Nc1cc2c(cn1)CCC2 ZINC000354538239 533520546 /nfs/dbraw/zinc/52/05/46/533520546.db2.gz LHXVLPTXITXELX-VIFPVBQESA-N 0 1 258.287 3.713 20 0 CHADMN C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1cc2ccccc2o1 ZINC000097017282 533531683 /nfs/dbraw/zinc/53/16/83/533531683.db2.gz PAGPGXUBBRAEQD-RNRVQEDPSA-N 0 1 293.366 3.742 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccccn1 ZINC000192917703 533501323 /nfs/dbraw/zinc/50/13/23/533501323.db2.gz VTLGLVIAZDXTBI-LSDHHAIUSA-N 0 1 292.386 3.679 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc2c(s1)CCCC2)[C@H]1CCCCO1 ZINC000347347121 533508273 /nfs/dbraw/zinc/50/82/73/533508273.db2.gz RXSGVKDISLXSJQ-MBNYWOFBSA-N 0 1 294.464 3.630 20 0 CHADMN COc1ccc(CN(Cc2n[nH]cc2C)[C@H](C)C2CC2)cc1 ZINC000356088583 533550550 /nfs/dbraw/zinc/55/05/50/533550550.db2.gz PNNYKLHEKLUENW-CQSZACIVSA-N 0 1 299.418 3.527 20 0 CHADMN C[C@@H](Nc1ccnc2cc(F)ccc21)c1ccccn1 ZINC000113246811 533562176 /nfs/dbraw/zinc/56/21/76/533562176.db2.gz QWEWSWPUXUWPPR-LLVKDONJSA-N 0 1 267.307 3.942 20 0 CHADMN Cc1ccc(C(C)(C)NCc2cc(F)cc(F)c2)cn1 ZINC000353154399 533633028 /nfs/dbraw/zinc/63/30/28/533633028.db2.gz ONSCZSOHHGRIIG-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN Cc1cc(CN2C[C@H](C)CC[C@H]2c2ccccc2)no1 ZINC000352794913 533633713 /nfs/dbraw/zinc/63/37/13/533633713.db2.gz SGLQCVLZCZEFCH-DYVFJYSZSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC000335492643 533670493 /nfs/dbraw/zinc/67/04/93/533670493.db2.gz DFKRFDSVMIJXNS-SNVBAGLBSA-N 0 1 283.322 3.731 20 0 CHADMN C[C@@H](CCc1ccc(O)cc1)Nc1cc2c(cn1)CCC2 ZINC000354546162 533662097 /nfs/dbraw/zinc/66/20/97/533662097.db2.gz SMRZXBJWCOGRKG-ZDUSSCGKSA-N 0 1 282.387 3.709 20 0 CHADMN Cc1ccc([C@@H](N[C@H](C)c2nccn2C)C2CC2)cc1 ZINC000341760483 130027231 /nfs/dbraw/zinc/02/72/31/130027231.db2.gz ZJVJVRQHBUNSMT-CZUORRHYSA-N 0 1 269.392 3.530 20 0 CHADMN Cc1cnn(CCN(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)c1 ZINC000341835025 130065408 /nfs/dbraw/zinc/06/54/08/130065408.db2.gz UMBLOJKCGHXHAK-YOEHRIQHSA-N 0 1 299.418 3.573 20 0 CHADMN COc1ccc(Cl)cc1[C@H](CC(C)C)NCCF ZINC000341854889 130095376 /nfs/dbraw/zinc/09/53/76/130095376.db2.gz IDTWKBFCKJYBMY-ZDUSSCGKSA-N 0 1 273.779 3.995 20 0 CHADMN Cc1ccc(C)c([C@H](C)[N@@H+](C)CCCCC(=O)[O-])c1 ZINC000342123210 130278953 /nfs/dbraw/zinc/27/89/53/130278953.db2.gz JXXKYBDQAGOFRO-AWEZNQCLSA-N 0 1 263.381 3.551 20 0 CHADMN COc1ccc(CNCc2ccc(F)cn2)c2ccccc12 ZINC000344907216 533674585 /nfs/dbraw/zinc/67/45/85/533674585.db2.gz BPGLLZBUTFFGDH-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CCCCCC1 ZINC000007781968 170301957 /nfs/dbraw/zinc/30/19/57/170301957.db2.gz APBOFUIWVCNLAG-UHFFFAOYSA-N 0 1 274.408 3.625 20 0 CHADMN CCC[C@@H]1CCC[N@H+]([C@@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000575131250 335070675 /nfs/dbraw/zinc/07/06/75/335070675.db2.gz ZVFXHUGBUOXIMU-WCQYABFASA-N 0 1 279.380 3.859 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN2[C@H](C)CCC[C@@H]2C)c1 ZINC000009997838 170394548 /nfs/dbraw/zinc/39/45/48/170394548.db2.gz VTFUEERJSGKGBU-GASCZTMLSA-N 0 1 274.408 3.505 20 0 CHADMN C[C@H](N[C@@H](C)c1cc(F)ccc1F)c1ccncc1 ZINC000020121462 171000009 /nfs/dbraw/zinc/00/00/09/171000009.db2.gz HMOLJJPRDBQMNS-QWRGUYRKSA-N 0 1 262.303 3.772 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@H](C)c1ccncc1 ZINC000020121480 171001034 /nfs/dbraw/zinc/00/10/34/171001034.db2.gz AUAASSGNXGEKAW-KGLIPLIRSA-N 0 1 270.376 3.810 20 0 CHADMN C[C@H](NCc1ccc(Cl)s1)c1ccncc1 ZINC000020121681 171001124 /nfs/dbraw/zinc/00/11/24/171001124.db2.gz NEDRDGKTDZFQEB-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN C[C@@H](NCc1ccc(Br)cc1)c1ccccn1 ZINC000020123193 171004149 /nfs/dbraw/zinc/00/41/49/171004149.db2.gz POUPCZYHWRKNIU-LLVKDONJSA-N 0 1 291.192 3.695 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2N[C@H](C)c1ccccn1 ZINC000020123721 171005156 /nfs/dbraw/zinc/00/51/56/171005156.db2.gz UHXUTIIVTRFUGO-ACJLOTCBSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@H](C)c1cccc(Cl)c1 ZINC000020124318 171006317 /nfs/dbraw/zinc/00/63/17/171006317.db2.gz AXSIFIBKEVMERJ-SNVBAGLBSA-N 0 1 277.799 3.541 20 0 CHADMN C[C@H](NCc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1 ZINC000020124431 171007236 /nfs/dbraw/zinc/00/72/36/171007236.db2.gz FBOUZCHNHLBVSM-JTQLQIEISA-N 0 1 291.297 3.544 20 0 CHADMN C[C@@H](N[C@H]1CCCc2occc21)c1cccc(O)c1 ZINC000020204579 171069387 /nfs/dbraw/zinc/06/93/87/171069387.db2.gz GTASSAZFGJNRGV-ABAIWWIYSA-N 0 1 257.333 3.713 20 0 CHADMN C[C@H](NCc1ccco1)c1ccc(Br)cc1 ZINC000022164625 171365309 /nfs/dbraw/zinc/36/53/09/171365309.db2.gz QDRYCMLVDYSSKN-JTQLQIEISA-N 0 1 280.165 3.893 20 0 CHADMN C[C@@H](NCc1cc(Br)cs1)c1ccco1 ZINC000035137015 172003694 /nfs/dbraw/zinc/00/36/94/172003694.db2.gz QKCHXZJUYRTUIF-MRVPVSSYSA-N 0 1 286.194 3.954 20 0 CHADMN c1c(CN[C@H]2CCCc3ccccc32)nc2ccccn12 ZINC000035179726 172032346 /nfs/dbraw/zinc/03/23/46/172032346.db2.gz ZDBFZPNQRMWCDL-KRWDZBQOSA-N 0 1 277.371 3.502 20 0 CHADMN C[C@@H](NCc1csc(Br)c1)c1cccnc1 ZINC000035251371 172081529 /nfs/dbraw/zinc/08/15/29/172081529.db2.gz DQTDKWCJRFAHDE-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN C[C@@H](NCc1cccc(O)c1)c1ccc(Cl)s1 ZINC000035253425 172083530 /nfs/dbraw/zinc/08/35/30/172083530.db2.gz AFTCVZIQEUDIQI-SECBINFHSA-N 0 1 267.781 3.958 20 0 CHADMN C[C@@H](NCc1ccsc1)c1cc(F)ccc1F ZINC000035256254 172086195 /nfs/dbraw/zinc/08/61/95/172086195.db2.gz DGHBVSAEIRSBSA-SECBINFHSA-N 0 1 253.317 3.877 20 0 CHADMN Clc1cc(Cl)cc(CNCc2ccncc2)c1 ZINC000037423668 173199391 /nfs/dbraw/zinc/19/93/91/173199391.db2.gz DAXJLZIUADQOQK-UHFFFAOYSA-N 0 1 267.159 3.678 20 0 CHADMN Cc1nccc(CN[C@@H](CC(C)C)c2ccccc2)n1 ZINC000038037314 174037196 /nfs/dbraw/zinc/03/71/96/174037196.db2.gz LTENELHSQDYPJE-KRWDZBQOSA-N 0 1 269.392 3.662 20 0 CHADMN Cc1nc(C)c([C@@H](C)NCc2ccc(F)cc2F)s1 ZINC000040445954 174265282 /nfs/dbraw/zinc/26/52/82/174265282.db2.gz HJIUVIQQBXFABS-MRVPVSSYSA-N 0 1 282.359 3.889 20 0 CHADMN COC(=O)c1ccoc1CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000078758992 177382671 /nfs/dbraw/zinc/38/26/71/177382671.db2.gz LNVWDFSSCRAWRF-CYBMUJFWSA-N 0 1 293.407 3.714 20 0 CHADMN Cc1c([C@@H](C)N[C@H]2CCSc3ccccc32)cnn1C ZINC000037167521 260072944 /nfs/dbraw/zinc/07/29/44/260072944.db2.gz SZCNFCOPAPYSGY-ABAIWWIYSA-N 0 1 287.432 3.616 20 0 CHADMN Cc1c2ccccc2oc1[C@H](C)NCc1ccncc1 ZINC000037232050 260076315 /nfs/dbraw/zinc/07/63/15/260076315.db2.gz YPHFATOCKYSHLH-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H]1CCCc2c(F)cccc21 ZINC000334521930 224748567 /nfs/dbraw/zinc/74/85/67/224748567.db2.gz HQUZMWWDLVPEOX-WBMJQRKESA-N 0 1 285.366 3.652 20 0 CHADMN Cc1ccc2nc(NC(=O)CSc3ccccc3)[nH]c2c1 ZINC000344463644 225065879 /nfs/dbraw/zinc/06/58/79/225065879.db2.gz NVNKPSJXCXUAIL-UHFFFAOYSA-N 0 1 297.383 3.602 20 0 CHADMN Cc1cc(CN(C2CC2)[C@H]2CCc3ccccc32)on1 ZINC000344477895 225070190 /nfs/dbraw/zinc/07/01/90/225070190.db2.gz QIGDXTSAOQCVME-KRWDZBQOSA-N 0 1 268.360 3.635 20 0 CHADMN COCc1nc(CN[C@H](C)CCC2CCCC2)cs1 ZINC000344550827 225106941 /nfs/dbraw/zinc/10/69/41/225106941.db2.gz CGJMIDQNVIVIGG-GFCCVEGCSA-N 0 1 282.453 3.738 20 0 CHADMN CCc1sc(-c2nnc(CN(C)CC(C)C)o2)cc1C ZINC000344550977 225107202 /nfs/dbraw/zinc/10/72/02/225107202.db2.gz SQUYFFCLKUBSRK-UHFFFAOYSA-N 0 1 293.436 3.757 20 0 CHADMN c1ccc2oc(CN3CCSC4(CCC4)CC3)nc2c1 ZINC000334637767 225184635 /nfs/dbraw/zinc/18/46/35/225184635.db2.gz XNLDQULHLNWJKX-UHFFFAOYSA-N 0 1 288.416 3.689 20 0 CHADMN C[C@H](N[C@H]1CCCN(C)c2ccccc21)c1ccncc1F ZINC000334689663 225274183 /nfs/dbraw/zinc/27/41/83/225274183.db2.gz WGEDONCAUBCIJI-GUYCJALGSA-N 0 1 299.393 3.843 20 0 CHADMN C[C@H](c1ccncc1F)N1CCC[C@@]2(CCSC2)C1 ZINC000334672721 225243638 /nfs/dbraw/zinc/24/36/38/225243638.db2.gz WYSWXYKHLMMLNG-IUODEOHRSA-N 0 1 280.412 3.501 20 0 CHADMN Cc1nccc(N2CCC(OC3CCC3)CC2)c1Cl ZINC000334940500 225370209 /nfs/dbraw/zinc/37/02/09/225370209.db2.gz OPKFZBZNZRSSRP-UHFFFAOYSA-N 0 1 280.799 3.581 20 0 CHADMN Cc1ccccc1[C@H](C)c1noc(C23CCCN2CCC3)n1 ZINC000334973590 225380065 /nfs/dbraw/zinc/38/00/65/225380065.db2.gz RPBMHNBSSBGYHX-AWEZNQCLSA-N 0 1 297.402 3.615 20 0 CHADMN C[C@H](N[C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccco1 ZINC000335033576 225397872 /nfs/dbraw/zinc/39/78/72/225397872.db2.gz VUCYSSWOHQADCP-FZMZJTMJSA-N 0 1 286.375 3.815 20 0 CHADMN Cc1ccc([C@H](C)N(C)C(=O)c2cc(C3CC3)[nH]n2)c(C)c1 ZINC000345052265 225406543 /nfs/dbraw/zinc/40/65/43/225406543.db2.gz WRBWXGAGYYGDSQ-ZDUSSCGKSA-N 0 1 297.402 3.737 20 0 CHADMN COc1ccncc1CN[C@H](c1ccc(F)cc1)C(C)C ZINC000347051516 226005345 /nfs/dbraw/zinc/00/53/45/226005345.db2.gz KPQWFTNYCXACJM-KRWDZBQOSA-N 0 1 288.366 3.716 20 0 CHADMN C[C@]1(c2ccc(F)cc2)CCN(Cc2cncc(F)c2)C1 ZINC000347200205 226084230 /nfs/dbraw/zinc/08/42/30/226084230.db2.gz LDKROEWDMJWPDA-KRWDZBQOSA-N 0 1 288.341 3.523 20 0 CHADMN C[C@@H](c1nc(-c2ccn3cncc3c2)no1)c1ccccc1 ZINC000347224411 226093552 /nfs/dbraw/zinc/09/35/52/226093552.db2.gz VLCQUJBWJSOKTG-GFCCVEGCSA-N 0 1 290.326 3.536 20 0 CHADMN Cc1cccc(CN(Cc2cccc(O)c2)CC2CC2)n1 ZINC000347357105 226151086 /nfs/dbraw/zinc/15/10/86/226151086.db2.gz IQFNXGZYMQPZIR-UHFFFAOYSA-N 0 1 282.387 3.508 20 0 CHADMN Cc1ccnc(NC[C@@H](c2cccnc2)C(C)C)c1 ZINC000347718701 226230856 /nfs/dbraw/zinc/23/08/56/226230856.db2.gz BEHICBYAWXKUKK-OAHLLOKOSA-N 0 1 255.365 3.637 20 0 CHADMN Cc1ccc(F)cc1CN[C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000575156855 335073644 /nfs/dbraw/zinc/07/36/44/335073644.db2.gz BVRNSGDLDDCOPK-GTNSWQLSSA-N 0 1 289.325 3.885 20 0 CHADMN C[C@H](N)c1nc(Cc2ccccc2Br)cs1 ZINC000335682694 226558823 /nfs/dbraw/zinc/55/88/23/226558823.db2.gz DEBYZRPUAMVKCT-QMMMGPOBSA-N 0 1 297.221 3.516 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cc(F)cc(F)c1F ZINC000335730284 226750818 /nfs/dbraw/zinc/75/08/18/226750818.db2.gz DWHJVPOFYXQURP-UHFFFAOYSA-N 0 1 297.280 3.511 20 0 CHADMN FC[C@H]1CCCN1Cc1cccc(-c2ccccn2)c1 ZINC000354519518 227020935 /nfs/dbraw/zinc/02/09/35/227020935.db2.gz FXDXAZQGWDRRGV-MRXNPFEDSA-N 0 1 270.351 3.683 20 0 CHADMN Cc1cc(C(=O)Nc2ccc3nc[nH]c3c2)ccc1Cl ZINC000352624798 227117115 /nfs/dbraw/zinc/11/71/15/227117115.db2.gz BRNDNVDUERLWSR-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN Cc1cnc(C2CCN(Cc3ccc(C)nc3)CC2)s1 ZINC000336607896 227178169 /nfs/dbraw/zinc/17/81/69/227178169.db2.gz CDANIZGWANSUJY-UHFFFAOYSA-N 0 1 287.432 3.535 20 0 CHADMN C[C@H]1CCCN(Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000352797624 227226790 /nfs/dbraw/zinc/22/67/90/227226790.db2.gz JAYJMIDWJQMAHT-LBPRGKRZSA-N 0 1 291.826 3.849 20 0 CHADMN Cc1nocc1CN1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000352861917 227346251 /nfs/dbraw/zinc/34/62/51/227346251.db2.gz LOIIFTYYTDFWSK-UHFFFAOYSA-N 0 1 282.387 3.889 20 0 CHADMN Cc1nccc(N2CCc3ccsc3C2)c1Cl ZINC000355096455 227395447 /nfs/dbraw/zinc/39/54/47/227395447.db2.gz OKJGTUPTGRVYLA-UHFFFAOYSA-N 0 1 264.781 3.668 20 0 CHADMN Cc1ccnc(NC[C@H](C)Sc2ccccc2)c1 ZINC000301642766 227621993 /nfs/dbraw/zinc/62/19/93/227621993.db2.gz MTZRCBQFOLVKML-ZDUSSCGKSA-N 0 1 258.390 3.983 20 0 CHADMN C[C@H](F)CCN[C@H](c1nccs1)c1ccccc1 ZINC000351880073 227932989 /nfs/dbraw/zinc/93/29/89/227932989.db2.gz WELJEGHPXQFCII-AAEUAGOBSA-N 0 1 264.369 3.570 20 0 CHADMN C[C@H]1CCCCN1Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356065702 228107474 /nfs/dbraw/zinc/10/74/74/228107474.db2.gz OYKCUBGQBYAVMV-JTQLQIEISA-N 0 1 273.298 3.785 20 0 CHADMN O=C(CC1(C(F)(F)F)CC1)Nc1cccc(Cl)c1O ZINC000353478556 228108491 /nfs/dbraw/zinc/10/84/91/228108491.db2.gz VBXCSTZTLYOSLR-UHFFFAOYSA-N 0 1 293.672 3.717 20 0 CHADMN Cc1nc2ccccn2c1CN(C)[C@@H](C)c1cccc(O)c1 ZINC000353527709 228114900 /nfs/dbraw/zinc/11/49/00/228114900.db2.gz LTZSSVHRIPMXGQ-AWEZNQCLSA-N 0 1 295.386 3.541 20 0 CHADMN C[C@H]1CCC[C@@H](CC(=O)Nc2cccc(-c3nnc[nH]3)c2)C1 ZINC000114393153 228045472 /nfs/dbraw/zinc/04/54/72/228045472.db2.gz NSGPPYKPQAMBCN-QWHCGFSZSA-N 0 1 298.390 3.627 20 0 CHADMN Cc1cnc(CN(Cc2ccc(F)cc2)C(C)(C)C)cn1 ZINC000353136963 228062919 /nfs/dbraw/zinc/06/29/19/228062919.db2.gz LBTHSWXXQWUDDG-UHFFFAOYSA-N 0 1 287.382 3.725 20 0 CHADMN COCCCN[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000353343423 228088391 /nfs/dbraw/zinc/08/83/91/228088391.db2.gz DKPNFTGYXUBYHI-SFHVURJKSA-N 0 1 296.370 3.543 20 0 CHADMN c1c2ccccc2oc1[C@H](NC1CC1)c1cccnc1 ZINC000353343189 228088678 /nfs/dbraw/zinc/08/86/78/228088678.db2.gz CTLQIAAPFMKBSM-QGZVFWFLSA-N 0 1 264.328 3.669 20 0 CHADMN Cc1ccnc([C@H](C)N[C@H](c2cccnc2)C2CC2)c1 ZINC000353611859 228130999 /nfs/dbraw/zinc/13/09/99/228130999.db2.gz FVZDPYOLBFTXOH-GUYCJALGSA-N 0 1 267.376 3.587 20 0 CHADMN C[C@H](NCc1ccc2cc[nH]c2n1)c1ccc(F)c(F)c1 ZINC000353623647 228134272 /nfs/dbraw/zinc/13/42/72/228134272.db2.gz BYMGGWKPQPNRQQ-JTQLQIEISA-N 0 1 287.313 3.692 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1ccc2cc[nH]c2n1 ZINC000353631411 228136140 /nfs/dbraw/zinc/13/61/40/228136140.db2.gz QCSXVHCFPSXCCH-CYBMUJFWSA-N 0 1 295.386 3.812 20 0 CHADMN CC[C@H](N[C@H](C)c1cnn(C)c1C)c1ccccc1OC ZINC000037321743 260088275 /nfs/dbraw/zinc/08/82/75/260088275.db2.gz DFDQROSUZONWDO-WBMJQRKESA-N 0 1 287.407 3.539 20 0 CHADMN COCc1nc(CN2CCCC[C@H]2CC(C)C)cs1 ZINC000353743329 228149604 /nfs/dbraw/zinc/14/96/04/228149604.db2.gz CPHXLWGQNJVENG-AWEZNQCLSA-N 0 1 282.453 3.690 20 0 CHADMN Fc1ccc(CN2CCC[C@@]3(CCCOC3)C2)cc1Cl ZINC000353745323 228149699 /nfs/dbraw/zinc/14/96/99/228149699.db2.gz IVHZRILVWJZUBN-MRXNPFEDSA-N 0 1 297.801 3.872 20 0 CHADMN Cc1cccc(CN(C)Cc2cccc(Cl)c2)n1 ZINC000353751291 228151205 /nfs/dbraw/zinc/15/12/05/228151205.db2.gz XQZDWBQPWZZDBG-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1cc(-c2nnc(CN3CCC[C@H](C)[C@H]3C)o2)c(C)o1 ZINC000336190004 228209134 /nfs/dbraw/zinc/20/91/34/228209134.db2.gz RVQAHKRKGGDVNQ-CMPLNLGQSA-N 0 1 289.379 3.567 20 0 CHADMN Cc1ccc([C@@H](NCc2cnn3ccccc23)C2CCC2)o1 ZINC000353873246 228160810 /nfs/dbraw/zinc/16/08/10/228160810.db2.gz WMZLBODRQDJJCO-SFHVURJKSA-N 0 1 295.386 3.867 20 0 CHADMN COCc1cccc(CN2Cc3ccccc3[C@@H]2C)c1 ZINC000353882852 228161968 /nfs/dbraw/zinc/16/19/68/228161968.db2.gz RJEBIKDLCJKWFW-AWEZNQCLSA-N 0 1 267.372 3.910 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)c1sccc1F ZINC000335944098 228168730 /nfs/dbraw/zinc/16/87/30/228168730.db2.gz NCMYTQNHPROGIJ-UHFFFAOYSA-N 0 1 289.690 3.638 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@H]1CCC(F)(F)C1 ZINC000335957128 228169653 /nfs/dbraw/zinc/16/96/53/228169653.db2.gz JMTZVMDSHHEMJB-LURJTMIESA-N 0 1 293.672 3.559 20 0 CHADMN C[C@@H](NCCCCF)c1nc(C2CCCCC2)no1 ZINC000351998073 228173168 /nfs/dbraw/zinc/17/31/68/228173168.db2.gz ZXXDGXIPQWLOQT-LLVKDONJSA-N 0 1 269.364 3.518 20 0 CHADMN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cncc(Br)c2)C1 ZINC000167566533 228178573 /nfs/dbraw/zinc/17/85/73/228178573.db2.gz XEQJAHMUVOSORA-WOPDTQHZSA-N 0 1 297.240 3.711 20 0 CHADMN Cc1nccc(N2CCC(OC3CCCC3)CC2)c1Cl ZINC000352082282 228180898 /nfs/dbraw/zinc/18/08/98/228180898.db2.gz JNQPAXLNRDMZLJ-UHFFFAOYSA-N 0 1 294.826 3.971 20 0 CHADMN Cc1cnc(CN2CCC[C@@](C)(c3ccccc3)CC2)nc1 ZINC000352188379 228196179 /nfs/dbraw/zinc/19/61/79/228196179.db2.gz YISJAFBGBNGJEU-LJQANCHMSA-N 0 1 295.430 3.729 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1cc2cccnc2o1 ZINC000336226343 228217664 /nfs/dbraw/zinc/21/76/64/228217664.db2.gz RZWDTXXPLQRSSJ-GXFFZTMASA-N 0 1 298.308 3.991 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1cc2cccnc2o1 ZINC000336226342 228217816 /nfs/dbraw/zinc/21/78/16/228217816.db2.gz RZWDTXXPLQRSSJ-GWCFXTLKSA-N 0 1 298.308 3.991 20 0 CHADMN Cc1cc(CN2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000179621270 260058236 /nfs/dbraw/zinc/05/82/36/260058236.db2.gz CULBAUCXACYCOE-LBPRGKRZSA-N 0 1 275.289 3.908 20 0 CHADMN Cc1c([C@@H](C)N[C@H](C)c2cc3ccccc3o2)cnn1C ZINC000037167577 260072556 /nfs/dbraw/zinc/07/25/56/260072556.db2.gz RACPCUWKLLXDNV-VXGBXAGGSA-N 0 1 283.375 3.887 20 0 CHADMN C[N@@H+](CCc1ccccc1)Cc1c[nH]c(-c2ccccc2)n1 ZINC000179954310 260083057 /nfs/dbraw/zinc/08/30/57/260083057.db2.gz ZVCMOADJSUUFOG-UHFFFAOYSA-N 0 1 291.398 3.751 20 0 CHADMN Cc1cc(CN2CCC(C(F)(F)F)CC2)ccc1F ZINC000179963858 260084070 /nfs/dbraw/zinc/08/40/70/260084070.db2.gz LYUMKDDFEQGKEW-UHFFFAOYSA-N 0 1 275.289 3.908 20 0 CHADMN CCOc1ncccc1CN[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000180080667 260091986 /nfs/dbraw/zinc/09/19/86/260091986.db2.gz MGHPHWAGWJQXNR-RDTXWAMCSA-N 0 1 296.414 3.812 20 0 CHADMN COc1cccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)c1 ZINC000037488885 260110232 /nfs/dbraw/zinc/11/02/32/260110232.db2.gz UMXRFNXUWZVRCK-MLGOLLRUSA-N 0 1 271.360 3.701 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(C)o2)cc1F ZINC000037496244 260113203 /nfs/dbraw/zinc/11/32/03/260113203.db2.gz INCZKRNHEWAGTQ-LLVKDONJSA-N 0 1 263.312 3.587 20 0 CHADMN CC[C@H](NCc1cccnc1OC)c1cccc(Cl)c1 ZINC000037650357 260115122 /nfs/dbraw/zinc/11/51/22/260115122.db2.gz NRYNVIPYQRUAMT-HNNXBMFYSA-N 0 1 290.794 3.985 20 0 CHADMN COc1ncccc1CN[C@H](CC(C)C)c1ccccc1 ZINC000037650505 260115663 /nfs/dbraw/zinc/11/56/63/260115663.db2.gz KZUIDEPABGWFBK-QGZVFWFLSA-N 0 1 284.403 3.967 20 0 CHADMN CCn1nc(CNCc2ccc(Cl)cc2)c2ccccc21 ZINC000089174040 260118225 /nfs/dbraw/zinc/11/82/25/260118225.db2.gz WZGKRWKQOZYFFQ-UHFFFAOYSA-N 0 1 299.805 3.999 20 0 CHADMN CC[C@@H](CNCc1cc(Cl)sc1Cl)OC ZINC000312558145 260148227 /nfs/dbraw/zinc/14/82/27/260148227.db2.gz LBGVCVNTCJUKQZ-QMMMGPOBSA-N 0 1 268.209 3.570 20 0 CHADMN COC(C)(C)CNCc1cc(Cl)sc1Cl ZINC000312567535 260150727 /nfs/dbraw/zinc/15/07/27/260150727.db2.gz XPQKSBBZGANOEP-UHFFFAOYSA-N 0 1 268.209 3.570 20 0 CHADMN Cc1csc([C@H](C)NCc2cccc3[nH]ccc32)n1 ZINC000070939618 260158592 /nfs/dbraw/zinc/15/85/92/260158592.db2.gz MDEYHLNULSOKBP-NSHDSACASA-N 0 1 271.389 3.784 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc3ccccc3o2)cc1O ZINC000072727135 260164284 /nfs/dbraw/zinc/16/42/84/260164284.db2.gz OJCFCTNVUHWILU-GFCCVEGCSA-N 0 1 297.354 3.998 20 0 CHADMN c1c(CN[C@H](c2ccccc2)C2CC2)nc2ccccn12 ZINC000073460330 260165226 /nfs/dbraw/zinc/16/52/26/260165226.db2.gz QCKOMEUSNCBDJC-GOSISDBHSA-N 0 1 277.371 3.575 20 0 CHADMN CC(C)[C@H](NCc1ccc(CO)o1)c1ccc(Cl)cc1 ZINC000077897825 260167458 /nfs/dbraw/zinc/16/74/58/260167458.db2.gz YFRMOXGBEFHXJW-INIZCTEOSA-N 0 1 293.794 3.912 20 0 CHADMN Cc1ccc(CN(C)CCSc2ccccc2)o1 ZINC000079618293 260176365 /nfs/dbraw/zinc/17/63/65/260176365.db2.gz QRCIKQUXQHDJHD-UHFFFAOYSA-N 0 1 261.390 3.812 20 0 CHADMN CSC[C@H](C)NCc1cc(Cl)sc1Cl ZINC000312610031 260181680 /nfs/dbraw/zinc/18/16/80/260181680.db2.gz HPHJZEOQHBSTLR-LURJTMIESA-N 0 1 270.250 3.896 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(Cl)s1)c1cnn(C)c1 ZINC000044496912 260190271 /nfs/dbraw/zinc/19/02/71/260190271.db2.gz ITDQFAZWTKITFJ-RKDXNWHRSA-N 0 1 269.801 3.547 20 0 CHADMN CCn1ccnc1NCc1cc(Cl)sc1Cl ZINC000312755697 260197914 /nfs/dbraw/zinc/19/79/14/260197914.db2.gz FDZUSHAUSMHTHS-UHFFFAOYSA-N 0 1 276.192 3.883 20 0 CHADMN COC[C@@H](N[C@@H](c1ccco1)c1ccccc1)C(C)C ZINC000086697377 260209555 /nfs/dbraw/zinc/20/95/55/260209555.db2.gz KIEIIAIHFIVGQF-NVXWUHKLSA-N 0 1 273.376 3.630 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000086809474 260210113 /nfs/dbraw/zinc/21/01/13/260210113.db2.gz RAVNAYDZFCATJX-ZDUSSCGKSA-N 0 1 287.359 3.510 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809230 260210240 /nfs/dbraw/zinc/21/02/40/260210240.db2.gz XOOLUAZJQRBKPQ-VXGBXAGGSA-N 0 1 297.345 3.603 20 0 CHADMN CC(C)COCCN[C@H](C)c1c(F)cccc1Cl ZINC000310980869 260233798 /nfs/dbraw/zinc/23/37/98/260233798.db2.gz TUGRNFXXIURXTF-LLVKDONJSA-N 0 1 273.779 3.802 20 0 CHADMN CC(C)n1cncc1CNCc1ccc(C(F)(F)F)cc1 ZINC000090209176 260239481 /nfs/dbraw/zinc/23/94/81/260239481.db2.gz JSZABJOSKDPKNO-UHFFFAOYSA-N 0 1 297.324 3.773 20 0 CHADMN CC(=O)Nc1ccccc1CNCc1ccccc1Cl ZINC000090736004 260261833 /nfs/dbraw/zinc/26/18/33/260261833.db2.gz YFNXQGNQRQVBDE-UHFFFAOYSA-N 0 1 288.778 3.588 20 0 CHADMN CCN(Cc1ccccc1)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000091780307 260266590 /nfs/dbraw/zinc/26/65/90/260266590.db2.gz ZBUCUCLYBDYSID-ZDUSSCGKSA-N 0 1 287.359 3.649 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1ccc(F)cc1F)CC2 ZINC000092837124 260272617 /nfs/dbraw/zinc/27/26/17/260272617.db2.gz NWLIKVJUNKJMJJ-QGZVFWFLSA-N 0 1 289.325 3.751 20 0 CHADMN CC[C@@H](COC)N[C@@H](C)c1c(F)cccc1Cl ZINC000090180404 260336747 /nfs/dbraw/zinc/33/67/47/260336747.db2.gz RXXOSGWBRVZVFH-UWVGGRQHSA-N 0 1 259.752 3.555 20 0 CHADMN CO[C@H]1CCN(Cc2cnc(C3CCC3)s2)CC1(C)C ZINC000449501933 260664487 /nfs/dbraw/zinc/66/44/87/260664487.db2.gz QLRMOMXZJLAAEA-AWEZNQCLSA-N 0 1 294.464 3.658 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2cnc(C)cn2)cc1 ZINC000427849865 260857707 /nfs/dbraw/zinc/85/77/07/260857707.db2.gz GWJJAYIZBPEXSJ-ZIAGYGMSSA-N 0 1 255.365 3.505 20 0 CHADMN FC(F)(F)Oc1ccc2c(c1)[C@@H](NCc1ccco1)CC2 ZINC000152052821 261058911 /nfs/dbraw/zinc/05/89/11/261058911.db2.gz ZQIVNCHCYVMHRZ-AWEZNQCLSA-N 0 1 297.276 3.955 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1cc(F)ccc1F)CC2 ZINC000092837389 261060387 /nfs/dbraw/zinc/06/03/87/261060387.db2.gz ULNNMJKZIXCCSJ-QGZVFWFLSA-N 0 1 289.325 3.751 20 0 CHADMN CCOc1cccc([C@H](C)N[C@H](C)c2ccccn2)c1 ZINC000152362526 261063218 /nfs/dbraw/zinc/06/32/18/261063218.db2.gz PENRNSCQRKOQDM-UONOGXRCSA-N 0 1 270.376 3.892 20 0 CHADMN C[C@H](N[C@H]1CCOc2c(Cl)cccc21)c1ccncc1 ZINC000152500735 261065102 /nfs/dbraw/zinc/06/51/02/261065102.db2.gz DSKCIBHZYFQHLA-NHYWBVRUSA-N 0 1 288.778 3.909 20 0 CHADMN C[C@@H](N[C@H]1CCOc2c(Cl)cccc21)c1ccncc1 ZINC000152500781 261065124 /nfs/dbraw/zinc/06/51/24/261065124.db2.gz DSKCIBHZYFQHLA-ABAIWWIYSA-N 0 1 288.778 3.909 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccc(C)o2)cc1F ZINC000152808582 261069651 /nfs/dbraw/zinc/06/96/51/261069651.db2.gz YKSHYBNVSKMXQQ-GFCCVEGCSA-N 0 1 277.339 3.977 20 0 CHADMN c1csc(-c2nc(CN3C[C@@H]4CCC[C@H]4C3)co2)c1 ZINC000152815192 261070189 /nfs/dbraw/zinc/07/01/89/261070189.db2.gz YGFLQVSFRCZEBD-RYUDHWBXSA-N 0 1 274.389 3.635 20 0 CHADMN CCCc1nc(CN2CCCC[C@H](C)C2)cs1 ZINC000360606031 261082313 /nfs/dbraw/zinc/08/23/13/261082313.db2.gz YTZBVYWAGZDQQR-LBPRGKRZSA-N 0 1 252.427 3.718 20 0 CHADMN CCCc1nc(C[N@H+]2CCCC[C@H](C)C2)cs1 ZINC000360606031 261082312 /nfs/dbraw/zinc/08/23/12/261082312.db2.gz YTZBVYWAGZDQQR-LBPRGKRZSA-N 0 1 252.427 3.718 20 0 CHADMN Cc1nc(CN2CCC(C)(c3ccccc3)CC2)oc1C ZINC000153783360 261082770 /nfs/dbraw/zinc/08/27/70/261082770.db2.gz RRHURGNAAQIMFH-UHFFFAOYSA-N 0 1 284.403 3.845 20 0 CHADMN Cc1nc([C@@H]2CCCN2CC[C@@H]2CCCCO2)cs1 ZINC000360614312 261084781 /nfs/dbraw/zinc/08/47/81/261084781.db2.gz RVEVOKYPJIPVFE-ZFWWWQNUSA-N 0 1 280.437 3.548 20 0 CHADMN CCN(CCc1ccccc1)[C@H](C)c1nc(C2CC2)no1 ZINC000154056764 261087573 /nfs/dbraw/zinc/08/75/73/261087573.db2.gz UTVGHMHHDDLOGV-CYBMUJFWSA-N 0 1 285.391 3.573 20 0 CHADMN COc1ccc(Cl)cc1[C@@H](C)NCc1cccc(O)c1 ZINC000154447278 261091472 /nfs/dbraw/zinc/09/14/72/261091472.db2.gz BHIVNCUUHLEWNW-LLVKDONJSA-N 0 1 291.778 3.905 20 0 CHADMN C[C@@H]1CCCN1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000154687774 261093965 /nfs/dbraw/zinc/09/39/65/261093965.db2.gz XLZSJJFYVYYZIN-OAHLLOKOSA-N 0 1 294.398 3.776 20 0 CHADMN CCc1cnc(CN(C)CCCCC(F)(F)F)s1 ZINC000154840337 261095387 /nfs/dbraw/zinc/09/53/87/261095387.db2.gz CBPJIDDOKQCHBO-UHFFFAOYSA-N 0 1 280.359 3.870 20 0 CHADMN CC[C@H]1CCCN1Cc1ncc(C(C)(C)C)s1 ZINC000448333670 261117381 /nfs/dbraw/zinc/11/73/81/261117381.db2.gz CXNTZSKIICWDNU-NSHDSACASA-N 0 1 252.427 3.815 20 0 CHADMN C[C@H](N[C@H]1CCCOc2ccccc21)c1ccncc1 ZINC000156552891 261125404 /nfs/dbraw/zinc/12/54/04/261125404.db2.gz HYUGJVLXEXBPEH-BBRMVZONSA-N 0 1 268.360 3.646 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2ccccc21)c1ccncc1 ZINC000156552777 261125687 /nfs/dbraw/zinc/12/56/87/261125687.db2.gz HYUGJVLXEXBPEH-CZUORRHYSA-N 0 1 268.360 3.646 20 0 CHADMN Cc1cccc(NCCc2csc(C(C)C)n2)n1 ZINC000157365404 261145164 /nfs/dbraw/zinc/14/51/64/261145164.db2.gz OIXILQYFZPLJBW-UHFFFAOYSA-N 0 1 261.394 3.625 20 0 CHADMN CCOCCO[C@H]1CCN([C@@H](C)c2cccc(Cl)c2)C1 ZINC000157886697 261154857 /nfs/dbraw/zinc/15/48/57/261154857.db2.gz CWXXORCPSPQPLR-BBRMVZONSA-N 0 1 297.826 3.528 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc([S@](C)=O)cc2)o1 ZINC000158156895 261160293 /nfs/dbraw/zinc/16/02/93/261160293.db2.gz IIKUCQVNZGKKIO-KQHSUYLTSA-N 0 1 291.416 3.737 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)c3ccco3)c2C1 ZINC000158287080 261162262 /nfs/dbraw/zinc/16/22/62/261162262.db2.gz DWNDTQHHHNBNJP-UHFFFAOYSA-N 0 1 284.359 3.504 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccnc1)c1ccc(F)cc1N(C)C ZINC000158547350 261167072 /nfs/dbraw/zinc/16/70/72/261167072.db2.gz ZZYTWBLTMSGXRP-QWHCGFSZSA-N 0 1 287.382 3.699 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cccc(COC)c2)o1 ZINC000158554441 261167471 /nfs/dbraw/zinc/16/74/71/261167471.db2.gz NLXHIRGVAMBRDL-CYBMUJFWSA-N 0 1 273.376 3.839 20 0 CHADMN CCn1nc(C)c(C[N@@H+](CC)Cc2ccccc2)c1C ZINC000158687821 261169527 /nfs/dbraw/zinc/16/95/27/261169527.db2.gz WVKSROHZYAWFDC-UHFFFAOYSA-N 0 1 271.408 3.542 20 0 CHADMN CCN(Cc1c(C)nn(CC)c1C)Cc1ccccc1 ZINC000158687821 261169528 /nfs/dbraw/zinc/16/95/28/261169528.db2.gz WVKSROHZYAWFDC-UHFFFAOYSA-N 0 1 271.408 3.542 20 0 CHADMN CC(C)O[C@@H]1C[C@@H](NCc2csc(C(C)C)n2)C1(C)C ZINC000361236880 261179279 /nfs/dbraw/zinc/17/92/79/261179279.db2.gz LYTLFQFSYYEUFZ-ZIAGYGMSSA-N 0 1 296.480 3.948 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)CC(C)(C)C)c2C)o1 ZINC000161597985 261253084 /nfs/dbraw/zinc/25/30/84/261253084.db2.gz YBOFHASIFZZQTN-UHFFFAOYSA-N 0 1 275.352 3.661 20 0 CHADMN COc1cc(CN[C@H](C)c2ccc(C)o2)ccc1C ZINC000161814123 261260926 /nfs/dbraw/zinc/26/09/26/261260926.db2.gz UEZVIMMQBWHIJM-CYBMUJFWSA-N 0 1 259.349 3.756 20 0 CHADMN CCCCCN(Cc1nccn1CC(F)(F)F)C(C)C ZINC000103139932 261274505 /nfs/dbraw/zinc/27/45/05/261274505.db2.gz GWJTWFXQSAXGEX-UHFFFAOYSA-N 0 1 291.361 3.846 20 0 CHADMN Cc1nc(CN(C[C@H]2CCCO2)C2CCCC2)sc1C ZINC000176384183 261281106 /nfs/dbraw/zinc/28/11/06/261281106.db2.gz GZVRQJCMJRSJDS-OAHLLOKOSA-N 0 1 294.464 3.684 20 0 CHADMN C[C@@H](NCc1cccc(N(C)C)n1)c1cccc(Cl)c1 ZINC000163128439 261306576 /nfs/dbraw/zinc/30/65/76/261306576.db2.gz IGAJJFJRRLTXTE-GFCCVEGCSA-N 0 1 289.810 3.652 20 0 CHADMN CCCc1nc(CN(C)[C@H](C)C2(C)CC2)cs1 ZINC000177243034 261341812 /nfs/dbraw/zinc/34/18/12/261341812.db2.gz ANRJCUDHLSVMSY-LLVKDONJSA-N 0 1 252.427 3.716 20 0 CHADMN c1sc(Cc2ccccc2)nc1CN1CC[C@H](C2CC2)C1 ZINC000491131817 261344200 /nfs/dbraw/zinc/34/42/00/261344200.db2.gz NOAHKDFTCJZHMS-INIZCTEOSA-N 0 1 298.455 3.966 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CCN1CC(=O)Nc1ccccc1 ZINC000177544320 261360149 /nfs/dbraw/zinc/36/01/49/261360149.db2.gz AYWSLOIXYPSPDN-CRAIPNDOSA-N 0 1 294.398 3.503 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CCN1CC(=O)Nc1ccccc1 ZINC000177544343 261360276 /nfs/dbraw/zinc/36/02/76/261360276.db2.gz AYWSLOIXYPSPDN-QAPCUYQASA-N 0 1 294.398 3.503 20 0 CHADMN CC(C)n1ccc(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)n1 ZINC000177552995 261361223 /nfs/dbraw/zinc/36/12/23/261361223.db2.gz IPYBVFFALACRDP-MAUKXSAKSA-N 0 1 283.419 3.842 20 0 CHADMN Cc1csc(CN[C@@H]2CCCc3ccc(C)cc32)n1 ZINC000166081941 261383174 /nfs/dbraw/zinc/38/31/74/261383174.db2.gz SJGDCMHJNIFBFG-OAHLLOKOSA-N 0 1 272.417 3.927 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000178800975 261760699 /nfs/dbraw/zinc/76/06/99/261760699.db2.gz QVMSYRRVBVVMMQ-VLIAUNLRSA-N 0 1 287.428 3.617 20 0 CHADMN CC(C)n1cc(CN(C)[C@@H](C)c2ccc(F)cc2)cn1 ZINC000179802428 261817476 /nfs/dbraw/zinc/81/74/76/261817476.db2.gz ZIEWTIWZKCBOOB-ZDUSSCGKSA-N 0 1 275.371 3.796 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)c2cncc(C)c2)c1 ZINC000184266115 262014405 /nfs/dbraw/zinc/01/44/05/262014405.db2.gz LSOUWXIEVPKSHN-KGLIPLIRSA-N 0 1 297.402 3.760 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)N[C@H](C)c1cncc(C)c1 ZINC000184285094 262014888 /nfs/dbraw/zinc/01/48/88/262014888.db2.gz QNNCWEHSUWOHCJ-CHWSQXEVSA-N 0 1 288.366 3.950 20 0 CHADMN CCOc1ccccc1CN[C@@H](C)c1cncc(C)c1 ZINC000184292579 262016038 /nfs/dbraw/zinc/01/60/38/262016038.db2.gz HYWYVJLCMXKODX-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN Cc1cncc([C@H](C)N[C@@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000184327034 262016744 /nfs/dbraw/zinc/01/67/44/262016744.db2.gz SQMWUAZGAUBNPS-SNRMKQJTSA-N 0 1 296.414 3.961 20 0 CHADMN Cc1cnc([C@H](C)NCCOc2ccc(Cl)cc2)s1 ZINC000184975332 262036101 /nfs/dbraw/zinc/03/61/01/262036101.db2.gz ZUWRXLWZUAWNCD-NSHDSACASA-N 0 1 296.823 3.835 20 0 CHADMN CCSc1cccc(CNCc2cccc(O)c2)c1 ZINC000185507242 262058078 /nfs/dbraw/zinc/05/80/78/262058078.db2.gz LGPVNYUUZSLEDY-UHFFFAOYSA-N 0 1 273.401 3.794 20 0 CHADMN CCSCCN[C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000185963180 262073623 /nfs/dbraw/zinc/07/36/23/262073623.db2.gz QJCXTNNIXIAUCC-MRVPVSSYSA-N 0 1 298.399 3.956 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1ccc(C)c(OC)c1 ZINC000186133028 262081206 /nfs/dbraw/zinc/08/12/06/262081206.db2.gz WUBFYCSPHQUINL-GFCCVEGCSA-N 0 1 291.416 3.925 20 0 CHADMN COC[C@H](N[C@@H](C)c1sccc1OC)c1ccccc1 ZINC000186211939 262084556 /nfs/dbraw/zinc/08/45/56/262084556.db2.gz NURNRIBJVGQDTJ-JSGCOSHPSA-N 0 1 291.416 3.795 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1cc(F)cc(OC)c1 ZINC000186237670 262085325 /nfs/dbraw/zinc/08/53/25/262085325.db2.gz JOHBPIPOTMRJLI-SNVBAGLBSA-N 0 1 295.379 3.755 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](CCO)c1ccco1)CCC2 ZINC000186527541 262097587 /nfs/dbraw/zinc/09/75/87/262097587.db2.gz DACVLBRGFVDQSX-SJORKVTESA-N 0 1 285.387 3.679 20 0 CHADMN Cc1ccc([C@H](N[C@H](CCO)c2ccco2)C2CC2)cc1 ZINC000186549528 262098449 /nfs/dbraw/zinc/09/84/49/262098449.db2.gz NIQWTWPCCWMKRN-AEFFLSMTSA-N 0 1 285.387 3.752 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccco1)c1ccc2c(c1)CCC2 ZINC000186562438 262099023 /nfs/dbraw/zinc/09/90/23/262099023.db2.gz YVQDVZLVLYXUPL-GUYCJALGSA-N 0 1 285.387 3.543 20 0 CHADMN CC(C)[C@H]1CN(Cc2cc3ccccc3s2)CCO1 ZINC000497215362 262109556 /nfs/dbraw/zinc/10/95/56/262109556.db2.gz PVNSGZCIUDAJNO-OAHLLOKOSA-N 0 1 275.417 3.758 20 0 CHADMN CO[C@@H]1C[C@@H](N[C@H](c2ccccc2)c2ccccn2)C1(C)C ZINC000318920256 262118292 /nfs/dbraw/zinc/11/82/92/262118292.db2.gz XGVPVQNCYWZISF-KZNAEPCWSA-N 0 1 296.414 3.574 20 0 CHADMN Cc1ccccc1[C@H](C)N(C)C(=O)c1[nH]nc2ccccc21 ZINC000497384476 262151614 /nfs/dbraw/zinc/15/16/14/262151614.db2.gz KIVQXMUKVLBYAG-ZDUSSCGKSA-N 0 1 293.370 3.705 20 0 CHADMN CC(C)[C@@H](NCc1cccc(F)c1)c1ccc(F)cn1 ZINC000497526631 262172707 /nfs/dbraw/zinc/17/27/07/262172707.db2.gz TWGKFWJOHGQZBS-MRXNPFEDSA-N 0 1 276.330 3.847 20 0 CHADMN Cc1nccc(NCc2ccc(F)cc2F)c1Cl ZINC000310879128 262178277 /nfs/dbraw/zinc/17/82/77/262178277.db2.gz NIBBJTPVZLBPBU-UHFFFAOYSA-N 0 1 268.694 3.934 20 0 CHADMN C[C@H](c1ccccc1F)N1CCc2ccccc2C1 ZINC000501391504 262184160 /nfs/dbraw/zinc/18/41/60/262184160.db2.gz UTKLXPXPXVXPFA-CYBMUJFWSA-N 0 1 255.336 3.945 20 0 CHADMN Fc1cccc(CNCc2ccccc2OC(F)F)c1 ZINC000020131549 262230439 /nfs/dbraw/zinc/23/04/39/262230439.db2.gz CCWIPAJPZQMAJC-UHFFFAOYSA-N 0 1 281.277 3.717 20 0 CHADMN COc1cc(CN(C)[C@H](C)c2cccnc2)ccc1C ZINC000194628174 262240067 /nfs/dbraw/zinc/24/00/67/262240067.db2.gz NAZPLWLGEHCRPX-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN CCCCc1nc(CN2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000497967691 262241807 /nfs/dbraw/zinc/24/18/07/262241807.db2.gz OVYHKORVADAQCC-STQMWFEESA-N 0 1 266.454 3.964 20 0 CHADMN CSCCN(C)[C@H](C)c1nc2ccccc2s1 ZINC000195348965 262249808 /nfs/dbraw/zinc/24/98/08/262249808.db2.gz LAWBFCRWSNSIKV-SNVBAGLBSA-N 0 1 266.435 3.652 20 0 CHADMN CCC[C@](C)(N)c1nc(-c2cccc3ccccc32)no1 ZINC000054438426 262269423 /nfs/dbraw/zinc/26/94/23/262269423.db2.gz GVORAHJAPZZITK-KRWDZBQOSA-N 0 1 281.359 3.864 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CC[C@H](O)C(C)(C)C1 ZINC000446064147 262270153 /nfs/dbraw/zinc/27/01/53/262270153.db2.gz USKWOKPZUGKQDV-GJZGRUSLSA-N 0 1 283.362 3.509 20 0 CHADMN Cc1ccccc1Cc1noc(CN[C@@H](C)C2CCCC2)n1 ZINC000184652772 262290351 /nfs/dbraw/zinc/29/03/51/262290351.db2.gz ZMHCGOXNHMJUCA-AWEZNQCLSA-N 0 1 299.418 3.637 20 0 CHADMN C[C@H](N[C@@H](C)c1cncc(F)c1)c1ccc(F)cc1 ZINC000221766450 262295691 /nfs/dbraw/zinc/29/56/91/262295691.db2.gz HUFJLBQRQHVQMS-QWRGUYRKSA-N 0 1 262.303 3.772 20 0 CHADMN CCc1ccc([C@H](COC)N[C@@H]2CS[C@@H](C(C)C)C2)o1 ZINC000488436121 262321020 /nfs/dbraw/zinc/32/10/20/262321020.db2.gz XEDMTODYZGKEIY-DUVNUKRYSA-N 0 1 297.464 3.649 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H](C)c1ccc(F)cc1 ZINC000187018103 262334823 /nfs/dbraw/zinc/33/48/23/262334823.db2.gz QPJPAXRSBCBQSO-NWDGAFQWSA-N 0 1 274.339 3.641 20 0 CHADMN CC[C@H](N[C@H](C)c1ccncc1OC)c1ccccc1 ZINC000187064677 262377608 /nfs/dbraw/zinc/37/76/08/262377608.db2.gz IEFHBCKUXKTWDY-CJNGLKHVSA-N 0 1 270.376 3.892 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(F)cc2F)ccn1 ZINC000391148662 262383801 /nfs/dbraw/zinc/38/38/01/262383801.db2.gz NAJPXWXILMEDDM-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H](C)c1ccn(C)n1)C(C)C ZINC000414126889 262807311 /nfs/dbraw/zinc/80/73/11/262807311.db2.gz RPIKHXAHXJSUJT-WMLDXEAASA-N 0 1 271.408 3.776 20 0 CHADMN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414137714 262809161 /nfs/dbraw/zinc/80/91/61/262809161.db2.gz GGRWSVFAFUTUOO-AGIUHOORSA-N 0 1 290.432 3.884 20 0 CHADMN CCn1ccc(CN[C@@H]2CCCc3c4ccccc4[nH]c32)n1 ZINC000414204205 262818067 /nfs/dbraw/zinc/81/80/67/262818067.db2.gz FSENCBRXNJZMRA-QGZVFWFLSA-N 0 1 294.402 3.552 20 0 CHADMN CCc1nc(C)c([C@H](C)NCc2ccc(C)c(C)n2)s1 ZINC000414160959 262819032 /nfs/dbraw/zinc/81/90/32/262819032.db2.gz DRJRVSYQCHPCKH-LBPRGKRZSA-N 0 1 289.448 3.877 20 0 CHADMN CCn1ccc(CN[C@@H]2CC[C@H](C)c3ccccc32)n1 ZINC000414207895 262825192 /nfs/dbraw/zinc/82/51/92/262825192.db2.gz KSYSBOSOTMGCCZ-SUMWQHHRSA-N 0 1 269.392 3.631 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@@H]1CCCC[C@H]1F)CCCO2 ZINC000414281567 262835072 /nfs/dbraw/zinc/83/50/72/262835072.db2.gz GGLHEIUDHONVOF-OWCLPIDISA-N 0 1 293.382 3.779 20 0 CHADMN Cc1ccc(CC[C@@H](C)N[C@H](C)c2csnn2)cc1 ZINC000414297383 262838778 /nfs/dbraw/zinc/83/87/78/262838778.db2.gz HKPAHNDDEWXQLZ-CHWSQXEVSA-N 0 1 275.421 3.518 20 0 CHADMN CCSc1ccc([C@@H](C)NCc2ccc(C)nn2)cc1 ZINC000414321094 262843262 /nfs/dbraw/zinc/84/32/62/262843262.db2.gz DGVDAFFEAOCGSH-CYBMUJFWSA-N 0 1 287.432 3.748 20 0 CHADMN C[C@@H]1C[C@@H](NCc2csc(-c3ccccc3)n2)CS1 ZINC000414502408 262967338 /nfs/dbraw/zinc/96/73/38/262967338.db2.gz PEQLPKNEEMYRMT-DGCLKSJQSA-N 0 1 290.457 3.794 20 0 CHADMN CCC1(O)CCN(Cc2c(Cl)oc3ccccc32)CC1 ZINC000271164528 262994097 /nfs/dbraw/zinc/99/40/97/262994097.db2.gz BVAKMGKWKBCVEU-UHFFFAOYSA-N 0 1 293.794 3.823 20 0 CHADMN COCC[C@H](N[C@H](C)c1sc(C)nc1C)c1ccco1 ZINC000272553889 263006448 /nfs/dbraw/zinc/00/64/48/263006448.db2.gz MORLNKBYDQCDGF-YPMHNXCESA-N 0 1 294.420 3.781 20 0 CHADMN CC[C@@H]1CCCC[C@H]1c1nc([C@H](N)CC(C)C)no1 ZINC000414614678 263010107 /nfs/dbraw/zinc/01/01/07/263010107.db2.gz HJZNNCAMABVVNL-JHJVBQTASA-N 0 1 265.401 3.799 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C2(C)CCCCCC2)n1 ZINC000414617411 263010446 /nfs/dbraw/zinc/01/04/46/263010446.db2.gz LMFJSJMYILBCPI-GFCCVEGCSA-N 0 1 265.401 3.727 20 0 CHADMN Cc1cccc(Cl)c1Cc1nc([C@H](N)CC(C)C)no1 ZINC000414617349 263010854 /nfs/dbraw/zinc/01/08/54/263010854.db2.gz LFUWATRAAYADLM-CYBMUJFWSA-N 0 1 293.798 3.668 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2[C@H](C)[C@@H]2c2ccccc2)n1 ZINC000414617802 263011164 /nfs/dbraw/zinc/01/11/64/263011164.db2.gz MDBBVDAGNHFWMO-FAAHXZRKSA-N 0 1 285.391 3.633 20 0 CHADMN Cc1ccc(-c2nc([C@@H](N)CC(C)C)no2)c2c1CCC2 ZINC000414618555 263012036 /nfs/dbraw/zinc/01/20/36/263012036.db2.gz JWDIWUAWSKCHLB-HNNXBMFYSA-N 0 1 285.391 3.580 20 0 CHADMN C[C@@H](CCCc1ccccc1)c1nc(C2(N)CCCC2)no1 ZINC000414620112 263013292 /nfs/dbraw/zinc/01/32/92/263013292.db2.gz POKAXZPFOSDXNC-AWEZNQCLSA-N 0 1 299.418 3.924 20 0 CHADMN CC(C)C[C@H](N)c1noc(Cc2cccc(C(C)C)c2)n1 ZINC000414623101 263014403 /nfs/dbraw/zinc/01/44/03/263014403.db2.gz NHRHTSGDLHOGPT-HNNXBMFYSA-N 0 1 287.407 3.830 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@@H]2Cc1nc(C2(N)CCC2)no1 ZINC000414625539 263015964 /nfs/dbraw/zinc/01/59/64/263015964.db2.gz ITIRRQNXSGEFBD-CHWSQXEVSA-N 0 1 297.402 3.549 20 0 CHADMN Cc1ccc(C[C@H](C)c2nc([C@H](N)CC(C)C)no2)cc1 ZINC000414627552 263016628 /nfs/dbraw/zinc/01/66/28/263016628.db2.gz ZHJFNLVYABWNJH-DZGCQCFKSA-N 0 1 287.407 3.770 20 0 CHADMN CSC1(CNCc2ncc(C(F)(F)F)s2)CCC1 ZINC000278560852 263048925 /nfs/dbraw/zinc/04/89/25/263048925.db2.gz CJEIVMQXHCBYFY-UHFFFAOYSA-N 0 1 296.383 3.537 20 0 CHADMN CC(C)c1cnc(C[NH2+][C@H](CCC(C)(C)C)C(=O)[O-])s1 ZINC000414662793 263023844 /nfs/dbraw/zinc/02/38/44/263023844.db2.gz RUKDWQHIDPKTMY-LLVKDONJSA-N 0 1 298.452 3.636 20 0 CHADMN COC[C@H]1CCCN(Cc2cc(F)ccc2Cl)CC1 ZINC000452105661 263036929 /nfs/dbraw/zinc/03/69/29/263036929.db2.gz PNMUUGFSBPFQTB-LBPRGKRZSA-N 0 1 285.790 3.728 20 0 CHADMN CC(C)[C@H]1CN(Cc2cc3c(cccc3F)[nH]2)CCS1 ZINC000438111376 263043307 /nfs/dbraw/zinc/04/33/07/263043307.db2.gz VBKLXPCKAQXTPO-MRXNPFEDSA-N 0 1 292.423 3.880 20 0 CHADMN Cc1cc([C@H](C)NCc2ccccc2N(C)C)oc1C ZINC000281970021 263073291 /nfs/dbraw/zinc/07/32/91/263073291.db2.gz BMIIJKMQWGBYCK-ZDUSSCGKSA-N 0 1 272.392 3.813 20 0 CHADMN COc1cc(C)nc(CN[C@H](C)c2ccc(C)c(F)c2)c1 ZINC000213623244 263136783 /nfs/dbraw/zinc/13/67/83/263136783.db2.gz NYJYKARTIUZZTN-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN CCc1noc(C)c1CN[C@H](c1cccs1)C1CC1 ZINC000340439383 263148465 /nfs/dbraw/zinc/14/84/65/263148465.db2.gz KQIBUEHEUSPCRP-HNNXBMFYSA-N 0 1 276.405 3.848 20 0 CHADMN Cc1cc(N)cc(CNCc2cnc(C3CCC3)s2)c1 ZINC000414967207 263170183 /nfs/dbraw/zinc/17/01/83/263170183.db2.gz PTJHVINKIDPGRZ-UHFFFAOYSA-N 0 1 287.432 3.591 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1CNCc1ncc(C(F)(F)F)cn1 ZINC000295069495 263171706 /nfs/dbraw/zinc/17/17/06/263171706.db2.gz QVKSUQFKMKOCED-WCQYABFASA-N 0 1 299.340 3.577 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2N[C@H]1COCc2ccccc21 ZINC000340516781 263183755 /nfs/dbraw/zinc/18/37/55/263183755.db2.gz AUSOYFKSUALJFV-ROUUACIJSA-N 0 1 283.346 3.674 20 0 CHADMN CCn1cc([C@@H](C)N[C@@H](C)c2ccc3ccccc3n2)cn1 ZINC000296107827 263185574 /nfs/dbraw/zinc/18/55/74/263185574.db2.gz ZHHMGSFRRVEAAI-KGLIPLIRSA-N 0 1 294.402 3.863 20 0 CHADMN COc1ccccc1CNCc1ccc2nc(C)ccc2c1 ZINC000187634707 263262995 /nfs/dbraw/zinc/26/29/95/263262995.db2.gz VWQMVEYRMHIIQM-UHFFFAOYSA-N 0 1 292.382 3.842 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](C)c2nccnc2C)cc1 ZINC000187683579 263265216 /nfs/dbraw/zinc/26/52/16/263265216.db2.gz WCRKOFCXGBHDSM-OCCSQVGLSA-N 0 1 269.392 3.759 20 0 CHADMN CC[C@@H](C)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000187706462 263267016 /nfs/dbraw/zinc/26/70/16/263267016.db2.gz LAWZLEUMTXBRRD-RISCZKNCSA-N 0 1 287.325 3.877 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1ccc2ccccc2c1 ZINC000187851391 263272366 /nfs/dbraw/zinc/27/23/66/263272366.db2.gz IAKGVJNTMSIOSA-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@H]2CCC(C)(C)O2)cs1 ZINC000187853318 263274531 /nfs/dbraw/zinc/27/45/31/263274531.db2.gz PAQSGSHJUFRWML-VXGBXAGGSA-N 0 1 282.453 3.875 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](NCc1ncc[nH]1)CCC2 ZINC000342824590 263511444 /nfs/dbraw/zinc/51/14/44/263511444.db2.gz ZQOHUBQLRCYPJF-INIZCTEOSA-N 0 1 269.392 3.700 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C[C@H]3C=CCCC3)c2C)o1 ZINC000188465018 263919903 /nfs/dbraw/zinc/91/99/03/263919903.db2.gz JXLCNQHURQRCNM-ZDUSSCGKSA-N 0 1 299.374 3.971 20 0 CHADMN COC[C@@H]1CCCN(Cc2c(F)cc(C)cc2F)CC1 ZINC000425341847 264009246 /nfs/dbraw/zinc/00/92/46/264009246.db2.gz DWXXUUXWXGEYAS-CYBMUJFWSA-N 0 1 283.362 3.522 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H](CC(N)=O)C2CCCCC2)o1 ZINC000330866192 264057794 /nfs/dbraw/zinc/05/77/94/264057794.db2.gz RTHXWSSGYDVYJF-DGCLKSJQSA-N 0 1 279.384 3.508 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2COCc3ccccc32)s1 ZINC000225995128 264103720 /nfs/dbraw/zinc/10/37/20/264103720.db2.gz LIPMQUKVUSODOV-SWLSCSKDSA-N 0 1 273.401 3.979 20 0 CHADMN Cc1cnc(CN2CC(C)(C)C[C@@H]2c2ccccc2)n1C ZINC000425371447 264201842 /nfs/dbraw/zinc/20/18/42/264201842.db2.gz LMDJYVBRBSWKPJ-MRXNPFEDSA-N 0 1 283.419 3.702 20 0 CHADMN CCCOc1cccc(CN2CC(CC(F)F)C2)c1 ZINC000425365833 264211527 /nfs/dbraw/zinc/21/15/27/264211527.db2.gz NFUHWSLHGCPNRB-UHFFFAOYSA-N 0 1 269.335 3.562 20 0 CHADMN CC(C)n1cncc1CN(Cc1ccc(O)cc1)CC1CC1 ZINC000425377561 264217237 /nfs/dbraw/zinc/21/72/37/264217237.db2.gz HGZTYAAHYANYPQ-UHFFFAOYSA-N 0 1 299.418 3.582 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H](C)c1ccc(C)s1 ZINC000188777835 264241730 /nfs/dbraw/zinc/24/17/30/264241730.db2.gz SORGWUHZBZJQDY-RYUDHWBXSA-N 0 1 276.405 3.872 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H](C)c1ccccc1N(C)C ZINC000188770322 264241905 /nfs/dbraw/zinc/24/19/05/264241905.db2.gz PSRQWKJVNRUULN-UONOGXRCSA-N 0 1 299.418 3.568 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccncc2OC)cc1 ZINC000188781272 264241919 /nfs/dbraw/zinc/24/19/19/264241919.db2.gz PQCFUUQTAKOWTN-QWHCGFSZSA-N 0 1 286.375 3.511 20 0 CHADMN CCn1c2ccccc2nc1[C@H](C)NCc1cccs1 ZINC000127051978 264246926 /nfs/dbraw/zinc/24/69/26/264246926.db2.gz MNUZJCXICMMVJW-LBPRGKRZSA-N 0 1 285.416 3.969 20 0 CHADMN CCn1c2ccccc2nc1[C@@H](C)NCc1ccccc1 ZINC000127055021 264247091 /nfs/dbraw/zinc/24/70/91/264247091.db2.gz LPYVWCJUAXMOAN-CQSZACIVSA-N 0 1 279.387 3.907 20 0 CHADMN CCOC[C@@H](NCc1csc(C(C)(C)C)n1)C(C)C ZINC000188867887 264254939 /nfs/dbraw/zinc/25/49/39/264254939.db2.gz XUMDUYMOMVCSST-CYBMUJFWSA-N 0 1 284.469 3.591 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000071737765 264256187 /nfs/dbraw/zinc/25/61/87/264256187.db2.gz WJUZRYXHNJPCSY-OAHLLOKOSA-N 0 1 283.371 3.725 20 0 CHADMN CN(Cc1nc(-c2ccoc2)no1)C1CCC(C)(C)CC1 ZINC000127614081 264263101 /nfs/dbraw/zinc/26/31/01/264263101.db2.gz ADQLARNJCJOXPF-UHFFFAOYSA-N 0 1 289.379 3.730 20 0 CHADMN CCCN(C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1)C1CC1 ZINC000189135475 264271727 /nfs/dbraw/zinc/27/17/27/264271727.db2.gz LTFUAEXRHDEFJQ-UHFFFAOYSA-N 0 1 297.402 3.708 20 0 CHADMN CN(CCc1ccccn1)Cc1cc(F)ccc1Cl ZINC000189282812 264286308 /nfs/dbraw/zinc/28/63/08/264286308.db2.gz RXBXDORJAUBIBT-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1ccc(Cl)s1 ZINC000189562056 264307687 /nfs/dbraw/zinc/30/76/87/264307687.db2.gz CYIPLNOCVRQMJM-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN CC[C@@]1(CO)CCC[N@H+]1Cc1csc(C2CCCC2)n1 ZINC000189630536 264312106 /nfs/dbraw/zinc/31/21/06/264312106.db2.gz JXMWJAFAFJIGSE-INIZCTEOSA-N 0 1 294.464 3.538 20 0 CHADMN CC[C@@]1(CO)CCCN1Cc1csc(C2CCCC2)n1 ZINC000189630536 264312108 /nfs/dbraw/zinc/31/21/08/264312108.db2.gz JXMWJAFAFJIGSE-INIZCTEOSA-N 0 1 294.464 3.538 20 0 CHADMN CC[C@]1(CO)CCC[N@H+]1Cc1csc(C2CCCC2)n1 ZINC000189630516 264312119 /nfs/dbraw/zinc/31/21/19/264312119.db2.gz JXMWJAFAFJIGSE-MRXNPFEDSA-N 0 1 294.464 3.538 20 0 CHADMN CC[C@]1(CO)CCCN1Cc1csc(C2CCCC2)n1 ZINC000189630516 264312121 /nfs/dbraw/zinc/31/21/21/264312121.db2.gz JXMWJAFAFJIGSE-MRXNPFEDSA-N 0 1 294.464 3.538 20 0 CHADMN C[C@@H](NCc1nc(C(F)F)no1)[C@H](C)C1CCCCC1 ZINC000425431747 264321799 /nfs/dbraw/zinc/32/17/99/264321799.db2.gz IXWHTIBRPIKYQS-VHSXEESVSA-N 0 1 287.354 3.702 20 0 CHADMN CC(C)CC[C@H]1CCC[C@@H]1NCc1nc(C(F)F)no1 ZINC000425444657 264324098 /nfs/dbraw/zinc/32/40/98/264324098.db2.gz MUVVWAYVGYOECM-MNOVXSKESA-N 0 1 287.354 3.702 20 0 CHADMN Cc1ccc2cc(CN3C[C@@H](C)OC(C)(C)C3)ccc2n1 ZINC000189792466 264326454 /nfs/dbraw/zinc/32/64/54/264326454.db2.gz CMGJYTQTKFUULE-CQSZACIVSA-N 0 1 284.403 3.543 20 0 CHADMN CC(C)c1nc([C@@H](C)NCC2([C@H](O)C(C)C)CC2)cs1 ZINC000346536781 265112504 /nfs/dbraw/zinc/11/25/04/265112504.db2.gz RELCTCGCKAXNNV-TZMCWYRMSA-N 0 1 296.480 3.714 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2cncc(F)c2)C1 ZINC000347049834 265123739 /nfs/dbraw/zinc/12/37/39/265123739.db2.gz JKALTOASPSLHMO-HNNXBMFYSA-N 0 1 250.361 3.623 20 0 CHADMN CCC[C@H]1CCCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000349580844 265199231 /nfs/dbraw/zinc/19/92/31/265199231.db2.gz MINVDBKTMJPKSM-AWEZNQCLSA-N 0 1 285.391 3.666 20 0 CHADMN CCCCc1noc([C@H](C)N[C@H](CC)C(C)(C)C)n1 ZINC000519255979 265376504 /nfs/dbraw/zinc/37/65/04/265376504.db2.gz PLPCZAPSYNABSJ-NWDGAFQWSA-N 0 1 267.417 3.888 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3cc(F)ccc32)nc1C ZINC000314741084 266003384 /nfs/dbraw/zinc/00/33/84/266003384.db2.gz HOQNPYRIRQVNIL-QGZVFWFLSA-N 0 1 270.351 3.615 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1ccoc1C ZINC000320921194 266007555 /nfs/dbraw/zinc/00/75/55/266007555.db2.gz KEZJOJYFSPBEHM-GFCCVEGCSA-N 0 1 259.349 3.756 20 0 CHADMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1ccco1 ZINC000353165729 266035242 /nfs/dbraw/zinc/03/52/42/266035242.db2.gz UOVIEOFNOLAIPC-IAQYHMDHSA-N 0 1 279.767 3.799 20 0 CHADMN CSC1(CN(C)Cc2nc3c(s2)CCCC3)CCC1 ZINC000356194505 266068499 /nfs/dbraw/zinc/06/84/99/266068499.db2.gz PDPOLHZQWCBQQD-UHFFFAOYSA-N 0 1 296.505 3.739 20 0 CHADMN Cc1[nH]ncc1CN1CC[C@@H](C)Sc2ccccc21 ZINC000356301943 266091081 /nfs/dbraw/zinc/09/10/81/266091081.db2.gz LFMRTMLEJBBOGS-LLVKDONJSA-N 0 1 273.405 3.609 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1sc(C)nc1C ZINC000356844994 266187720 /nfs/dbraw/zinc/18/77/20/266187720.db2.gz IAPGAPPHBCGZFW-LLVKDONJSA-N 0 1 275.421 3.568 20 0 CHADMN CC[C@]1(C)C[C@@H]1c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000356922403 266211183 /nfs/dbraw/zinc/21/11/83/266211183.db2.gz NFAZNOXBURVPAP-BDJLRTHQSA-N 0 1 282.347 3.825 20 0 CHADMN CC(C)(C)C[C@H]1CCCN1Cc1ncn(-c2ccccc2)n1 ZINC000356970904 266221226 /nfs/dbraw/zinc/22/12/26/266221226.db2.gz AXAWSZIROKEJMM-MRXNPFEDSA-N 0 1 298.434 3.668 20 0 CHADMN C[C@@H]1COCCN(Cc2ccc(Oc3ccccc3)o2)C1 ZINC000356972492 266221288 /nfs/dbraw/zinc/22/12/88/266221288.db2.gz UHSJTTWPGPLJKD-AWEZNQCLSA-N 0 1 287.359 3.540 20 0 CHADMN Fc1cc(F)cc(-c2nc(-c3ccc4[nH]cnc4c3)no2)c1 ZINC000356970144 266221344 /nfs/dbraw/zinc/22/13/44/266221344.db2.gz ZGGPDKKDEIOUTM-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN Cc1[nH]ncc1CN1CC2(CCCC2)c2c1cccc2F ZINC000356988036 266225892 /nfs/dbraw/zinc/22/58/92/266225892.db2.gz VXIQZTGTICZQSQ-UHFFFAOYSA-N 0 1 285.366 3.689 20 0 CHADMN CCN(CCc1cccs1)[C@@H](C)c1ncc(C)o1 ZINC000357011081 266231546 /nfs/dbraw/zinc/23/15/46/266231546.db2.gz XVQPVQFOKDMIQH-LBPRGKRZSA-N 0 1 264.394 3.670 20 0 CHADMN c1cn(C2CCCC2)nc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000357272233 266269955 /nfs/dbraw/zinc/26/99/55/266269955.db2.gz LIGZXNGXCRWHKG-WMLDXEAASA-N 0 1 273.424 3.763 20 0 CHADMN C[C@@H](N(C)Cc1ccn(C2CCCC2)n1)C1(C)CC1 ZINC000357277179 266270703 /nfs/dbraw/zinc/27/07/03/266270703.db2.gz YQOKNZZJCOFNCM-CYBMUJFWSA-N 0 1 261.413 3.619 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2ccn(C3CCCC3)n2)C1 ZINC000357303228 266273214 /nfs/dbraw/zinc/27/32/14/266273214.db2.gz MCQLGPWBBJARPO-KBPBESRZSA-N 0 1 261.413 3.619 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000357552360 266321329 /nfs/dbraw/zinc/32/13/29/266321329.db2.gz MIAWWOCIKDWNEK-MGPQQGTHSA-N 0 1 295.427 3.566 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCCN(Cc1ccccn1)C1CC1 ZINC000357616795 266337038 /nfs/dbraw/zinc/33/70/38/266337038.db2.gz LIOSPAPEHPPEMW-CRAIPNDOSA-N 0 1 288.435 3.641 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CCC[C@@H](C)[C@H]1C ZINC000357732319 266352759 /nfs/dbraw/zinc/35/27/59/266352759.db2.gz OMABGNUVVCKUKS-CHWSQXEVSA-N 0 1 289.398 3.816 20 0 CHADMN CSc1cc(CN[C@H](C)c2sc(C)nc2C)ccn1 ZINC000357871261 266380115 /nfs/dbraw/zinc/38/01/15/266380115.db2.gz OADFEYHPRQUTHI-SECBINFHSA-N 0 1 293.461 3.728 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000357910325 266384029 /nfs/dbraw/zinc/38/40/29/266384029.db2.gz FJIGQHDUHFJGDL-UONOGXRCSA-N 0 1 299.418 3.593 20 0 CHADMN Cc1occc1CN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000358009151 266396631 /nfs/dbraw/zinc/39/66/31/266396631.db2.gz CCKGHQBGNXDJLV-AWEZNQCLSA-N 0 1 295.386 3.684 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccc(Cl)s2)c(C)n1 ZINC000358021236 266398231 /nfs/dbraw/zinc/39/82/31/266398231.db2.gz UUUUCHWDHWGATB-MRVPVSSYSA-N 0 1 281.812 3.659 20 0 CHADMN FC1(F)CCC[C@H](NCc2ccn(-c3ccccc3)n2)C1 ZINC000358504418 266470962 /nfs/dbraw/zinc/47/09/62/266470962.db2.gz GLZACPVUSCJACU-ZDUSSCGKSA-N 0 1 291.345 3.540 20 0 CHADMN CC(C)CC[C@@H](O)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000361294504 266817437 /nfs/dbraw/zinc/81/74/37/266817437.db2.gz KKINWYIBJRVWON-MJGOQNOKSA-N 0 1 298.430 3.558 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1cccc(F)c1Cl ZINC000361651586 266867158 /nfs/dbraw/zinc/86/71/58/266867158.db2.gz SJMQTYYOCWVGQV-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN CC(C)c1cnc(CN(CCO)CC2CCCCC2)s1 ZINC000362528062 267000679 /nfs/dbraw/zinc/00/06/79/267000679.db2.gz IUEHOIMLZUOKGU-UHFFFAOYSA-N 0 1 296.480 3.641 20 0 CHADMN Cn1cccc1CN1CCC(c2c(F)cccc2F)CC1 ZINC000362526814 267000798 /nfs/dbraw/zinc/00/07/98/267000798.db2.gz VMQYHXZGMXFQIK-UHFFFAOYSA-N 0 1 290.357 3.683 20 0 CHADMN Cc1cc(C)c2c(c1)CN(Cc1cnn3ccccc13)CC2 ZINC000362525089 267000821 /nfs/dbraw/zinc/00/08/21/267000821.db2.gz LBZOMYGXPDLPDK-UHFFFAOYSA-N 0 1 291.398 3.509 20 0 CHADMN Cc1cc(C)c2c(c1)CN(Cc1cccc3nccn31)CC2 ZINC000362529282 267002307 /nfs/dbraw/zinc/00/23/07/267002307.db2.gz RABVRGWJILUVGM-UHFFFAOYSA-N 0 1 291.398 3.509 20 0 CHADMN CCc1noc(C)c1CN1CCc2c(C)cc(C)cc2C1 ZINC000362591470 267015151 /nfs/dbraw/zinc/01/51/51/267015151.db2.gz RCMWMYGKBLGOJI-UHFFFAOYSA-N 0 1 284.403 3.721 20 0 CHADMN Cc1ccc2nc(CNC(=O)CC3CCC(C)CC3)[nH]c2c1 ZINC000362646460 267029518 /nfs/dbraw/zinc/02/95/18/267029518.db2.gz LJBCPJSFIUTDQB-UHFFFAOYSA-N 0 1 299.418 3.704 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccsc2Cl)n[nH]1 ZINC000362922102 267060732 /nfs/dbraw/zinc/06/07/32/267060732.db2.gz BPIASKXUCFFDDI-RKDXNWHRSA-N 0 1 298.843 3.884 20 0 CHADMN COc1ncccc1CN1CCC[C@H]1c1ccc(C)cc1 ZINC000362954725 267067544 /nfs/dbraw/zinc/06/75/44/267067544.db2.gz NAYJMPBSQXIBBR-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2coc3ccccc23)n[nH]1 ZINC000362987886 267070284 /nfs/dbraw/zinc/07/02/84/267070284.db2.gz VZXQZSUNUXSCNQ-VXGBXAGGSA-N 0 1 298.390 3.915 20 0 CHADMN COc1cccc(C2=CCN(CCC(F)(F)F)CC2)c1 ZINC000363243882 267080913 /nfs/dbraw/zinc/08/09/13/267080913.db2.gz AFSLRCXUMAOHLD-UHFFFAOYSA-N 0 1 285.309 3.737 20 0 CHADMN FC(F)(F)c1ccc([C@@H]2CCN(Cc3ccon3)C2)cc1 ZINC000368361144 267165771 /nfs/dbraw/zinc/16/57/71/267165771.db2.gz LVKKKDSTORRPGH-GFCCVEGCSA-N 0 1 296.292 3.683 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2ccnc(C)n2)cc1 ZINC000368449227 267172477 /nfs/dbraw/zinc/17/24/77/267172477.db2.gz JFNZEPKFWAMRIP-GOSISDBHSA-N 0 1 297.402 3.521 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2cc[nH]n2)c2ccccc2n1 ZINC000368491672 267177785 /nfs/dbraw/zinc/17/77/85/267177785.db2.gz WNLPGSMEHLKSIR-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CN(C)Cc3ccccc32)oc1C ZINC000368522173 267180088 /nfs/dbraw/zinc/18/00/88/267180088.db2.gz LXZFGYRGXLDHME-CXAGYDPISA-N 0 1 284.403 3.734 20 0 CHADMN c1coc(-c2ncc(CN3[C@H]4C=CC[C@@H]3CC4)s2)c1 ZINC000369493546 267246792 /nfs/dbraw/zinc/24/67/92/267246792.db2.gz ZPGDOSXULKONIG-NWDGAFQWSA-N 0 1 272.373 3.696 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CCN1Cc1cscn1 ZINC000369611801 267253936 /nfs/dbraw/zinc/25/39/36/267253936.db2.gz GZBCCATXVYOKID-UKRRQHHQSA-N 0 1 272.417 3.911 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CCN1Cc1cscn1 ZINC000369611799 267254691 /nfs/dbraw/zinc/25/46/91/267254691.db2.gz GZBCCATXVYOKID-DZGCQCFKSA-N 0 1 272.417 3.911 20 0 CHADMN FC(F)n1c2ccccc2nc1CN1CCC[C@@H]1C1CC1 ZINC000369828262 267270725 /nfs/dbraw/zinc/27/07/25/267270725.db2.gz DISCYABENBCNEQ-CYBMUJFWSA-N 0 1 291.345 3.806 20 0 CHADMN CC(C)CCn1cccc1CNCc1cccc(O)c1 ZINC000118974836 267283219 /nfs/dbraw/zinc/28/32/19/267283219.db2.gz GYUKPIXVHUCWQR-UHFFFAOYSA-N 0 1 272.392 3.530 20 0 CHADMN CCN(Cc1c(C)nn(CC)c1C)Cc1cccc(F)c1 ZINC000120013091 267352577 /nfs/dbraw/zinc/35/25/77/267352577.db2.gz IYHMZHZMGULUSM-UHFFFAOYSA-N 0 1 289.398 3.681 20 0 CHADMN CCCc1csc(CN[C@@H](CO)CC2CCCCC2)n1 ZINC000418125364 267353839 /nfs/dbraw/zinc/35/38/39/267353839.db2.gz JHVRJUPSWHTBLY-OAHLLOKOSA-N 0 1 296.480 3.517 20 0 CHADMN CO[C@H](CN1CCC[C@H]1c1cc(C)on1)c1ccccc1 ZINC000371183723 267361169 /nfs/dbraw/zinc/36/11/69/267361169.db2.gz KGMZGTWHSYYFAJ-DLBZAZTESA-N 0 1 286.375 3.508 20 0 CHADMN Cc1cc(NC(=O)[C@H]2CCCN2C2CC2)cc(C)c1Cl ZINC000443177411 267383465 /nfs/dbraw/zinc/38/34/65/267383465.db2.gz YPMLTVDVAGZKFT-CQSZACIVSA-N 0 1 292.810 3.522 20 0 CHADMN Cc1cnc(CN2CC[C@@H](c3ccccc3)C[C@H]2C)o1 ZINC000374174633 267758637 /nfs/dbraw/zinc/75/86/37/267758637.db2.gz JJMRTLFBPAQLEP-CZUORRHYSA-N 0 1 270.376 3.751 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cc2cscn2)CC1 ZINC000172050325 335092358 /nfs/dbraw/zinc/09/23/58/335092358.db2.gz NGLSMEZMBYAAKE-GFCCVEGCSA-N 0 1 252.427 3.791 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)[C@H]1C(=O)[O-] ZINC000334642031 533696971 /nfs/dbraw/zinc/69/69/71/533696971.db2.gz ARQDRGYGKFXENR-CXAGYDPISA-N 0 1 283.371 3.525 20 0 CHADMN Cc1cnc(CN[C@H]2c3cc(C)ccc3C[C@H]2C)s1 ZINC000180644859 327806725 /nfs/dbraw/zinc/80/67/25/327806725.db2.gz JJNVCGXBENWOGH-BDJLRTHQSA-N 0 1 272.417 3.783 20 0 CHADMN CCCc1csc(CNCCO[C@@H]2CCCC[C@@H]2C)n1 ZINC000494368041 327902583 /nfs/dbraw/zinc/90/25/83/327902583.db2.gz KEWSSHHYAORBPR-DZGCQCFKSA-N 0 1 296.480 3.781 20 0 CHADMN C[C@@H](Nc1cc2c(cn1)CCC2)C1CCSCC1 ZINC000354550914 327902670 /nfs/dbraw/zinc/90/26/70/327902670.db2.gz YYKLNEKPQDYICV-LLVKDONJSA-N 0 1 262.422 3.514 20 0 CHADMN CS[C@@H](C)CN[C@@H](C)c1csc(C(C)C)n1 ZINC000186429614 327916674 /nfs/dbraw/zinc/91/66/74/327916674.db2.gz KXOVSFZSZPFQDQ-UWVGGRQHSA-N 0 1 258.456 3.669 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000563284154 328008524 /nfs/dbraw/zinc/00/85/24/328008524.db2.gz RRORAPQZQQDJSK-UONOGXRCSA-N 0 1 299.370 3.664 20 0 CHADMN O=C([O-])CC1(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000563280344 328007305 /nfs/dbraw/zinc/00/73/05/328007305.db2.gz QQVXPUFKYHQKPT-ZACQAIPSSA-N 0 1 299.414 3.509 20 0 CHADMN Cc1cnn(C)c1CNC(c1ccccc1)c1ccccc1 ZINC000394772226 328008962 /nfs/dbraw/zinc/00/89/62/328008962.db2.gz ANLZJIYJDDCVBX-UHFFFAOYSA-N 0 1 291.398 3.608 20 0 CHADMN CN(C(=O)c1cccc2n[nH]cc21)C1CCC(C)(C)CC1 ZINC000531510823 328014088 /nfs/dbraw/zinc/01/40/88/328014088.db2.gz NWVBYBYOPQNWTR-UHFFFAOYSA-N 0 1 285.391 3.604 20 0 CHADMN CCc1ccc(CNCCO[C@@H]2CCCC[C@H]2C)o1 ZINC000531603339 328020627 /nfs/dbraw/zinc/02/06/27/328020627.db2.gz QCTKQNRZAPIDRX-CZUORRHYSA-N 0 1 265.397 3.527 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)N[C@H](CO)c1ccccc1C ZINC000531737113 328028910 /nfs/dbraw/zinc/02/89/10/328028910.db2.gz LNBNPQIIHAVHGE-CRAIPNDOSA-N 0 1 299.414 3.696 20 0 CHADMN Fc1ccc(F)c(CN[C@@H]2CCc3c2cccc3F)c1 ZINC000110058670 328031665 /nfs/dbraw/zinc/03/16/65/328031665.db2.gz MMBNNSLPGHHQSX-MRXNPFEDSA-N 0 1 277.289 3.881 20 0 CHADMN CN(Cc1nc(C(C)(C)C)cs1)CC(C)(C)C ZINC000531779380 328033332 /nfs/dbraw/zinc/03/33/32/328033332.db2.gz UNMAMNSYRUSVTD-UHFFFAOYSA-N 0 1 254.443 3.919 20 0 CHADMN CCC(CC)N(Cc1nnc(-c2ccccc2)n1C)C1CC1 ZINC000534119377 328036105 /nfs/dbraw/zinc/03/61/05/328036105.db2.gz SWKCEPWGYFEAFA-UHFFFAOYSA-N 0 1 298.434 3.635 20 0 CHADMN Cc1ncc2c(n1)CC[N@H+](CCC1C[C@H](C)C[C@@H](C)C1)C2 ZINC000531801761 328036835 /nfs/dbraw/zinc/03/68/35/328036835.db2.gz AHMSNAVKMKMQJD-ZIAGYGMSSA-N 0 1 287.451 3.606 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1ccc(Br)s1 ZINC000531816213 328038538 /nfs/dbraw/zinc/03/85/38/328038538.db2.gz WHKUHDRFOTTYSJ-DTORHVGOSA-N 0 1 274.227 3.883 20 0 CHADMN CC(C)CO[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000531841194 328043213 /nfs/dbraw/zinc/04/32/13/328043213.db2.gz QBHVGIGPOQBPIL-HNNXBMFYSA-N 0 1 267.800 3.587 20 0 CHADMN COCCN(C/C=C/c1ccccc1)Cc1ccc(C)o1 ZINC000531842822 328044797 /nfs/dbraw/zinc/04/47/97/328044797.db2.gz GYYRWJIIRJGRPF-RMKNXTFCSA-N 0 1 285.387 3.750 20 0 CHADMN Cn1ccc(C[N@@H+](C)[C@@H]2CCCc3ccccc32)c1 ZINC000534333049 328045266 /nfs/dbraw/zinc/04/52/66/328045266.db2.gz IZHNTIKGTWOVPC-QGZVFWFLSA-N 0 1 254.377 3.535 20 0 CHADMN CCc1nc(CN(C)C[C@@H]2C[C@@H]2c2ccccc2)cs1 ZINC000534349645 328047669 /nfs/dbraw/zinc/04/76/69/328047669.db2.gz NQOHGWSAOMDDRK-GOEBONIOSA-N 0 1 286.444 3.941 20 0 CHADMN C[C@H]1C[C@H](C)N1Cc1ccc(OCc2ccccc2)nc1 ZINC000563350166 328056815 /nfs/dbraw/zinc/05/68/15/328056815.db2.gz ZYBUEUQJQYHFAP-GJZGRUSLSA-N 0 1 282.387 3.643 20 0 CHADMN Cc1ncc(CN[C@H](CC2CC2)c2ccccc2)o1 ZINC000563361357 328058591 /nfs/dbraw/zinc/05/85/91/328058591.db2.gz CMSNJNONGZXXGF-MRXNPFEDSA-N 0 1 256.349 3.614 20 0 CHADMN CC1(C)CC[C@@H]1NCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000563367427 328059762 /nfs/dbraw/zinc/05/97/62/328059762.db2.gz ODSRGDVEOCKUQA-LBPRGKRZSA-N 0 1 291.782 3.668 20 0 CHADMN CSc1ccc(CN2CCC(F)(F)[C@@H](C)C2)cc1 ZINC000563481775 328069764 /nfs/dbraw/zinc/06/97/64/328069764.db2.gz GTGHLFJZNXTDGV-NSHDSACASA-N 0 1 271.376 3.886 20 0 CHADMN C[C@@H]1CC(NCc2noc(-c3cccs3)n2)C[C@@H](C)C1 ZINC000563506185 328070438 /nfs/dbraw/zinc/07/04/38/328070438.db2.gz DGWBSVVFGDYCNY-QWRGUYRKSA-N 0 1 291.420 3.712 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000567470866 328083134 /nfs/dbraw/zinc/08/31/34/328083134.db2.gz RYOLTQYFCWMJJO-TUKIKUTGSA-N 0 1 295.810 3.834 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])s2)[C@@H]2CCCC[C@H]12 ZINC000571171964 328090552 /nfs/dbraw/zinc/09/05/52/328090552.db2.gz GWHRVXHHMFACEK-MRVWCRGKSA-N 0 1 293.432 3.847 20 0 CHADMN Cc1ccc2cc(CN3C[C@@H](C)OC4(CCC4)C3)ccc2n1 ZINC000571210452 328093510 /nfs/dbraw/zinc/09/35/10/328093510.db2.gz NZVAILMKIOHHGD-OAHLLOKOSA-N 0 1 296.414 3.687 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CC(C)(C)C[C@@H]1C ZINC000412042604 328101982 /nfs/dbraw/zinc/10/19/82/328101982.db2.gz MQGPHSOFFNQEDE-AWEZNQCLSA-N 0 1 288.435 3.616 20 0 CHADMN CC(C)n1ncnc1CN1CC[C@@H](CC(C)(C)C)C1(C)C ZINC000412040520 328102213 /nfs/dbraw/zinc/10/22/13/328102213.db2.gz RLBFAGASELRBEJ-AWEZNQCLSA-N 0 1 292.471 3.896 20 0 CHADMN C[C@H](NCCCc1cccc2ccccc21)c1csnn1 ZINC000412044306 328102585 /nfs/dbraw/zinc/10/25/85/328102585.db2.gz QRESKMJHLDUBHA-ZDUSSCGKSA-N 0 1 297.427 3.975 20 0 CHADMN CC(C)n1ccnc1CN[C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000412081814 328102904 /nfs/dbraw/zinc/10/29/04/328102904.db2.gz RTYKSKLXNVNBJV-KGLIPLIRSA-N 0 1 293.455 3.536 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@](C)(c2ccccc2)C1)c1csnn1 ZINC000414306808 328154347 /nfs/dbraw/zinc/15/43/47/328154347.db2.gz RFLKHEAFLSKETB-JGGQBBKZSA-N 0 1 287.432 3.699 20 0 CHADMN Cc1occc1CN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000414368965 328156018 /nfs/dbraw/zinc/15/60/18/328156018.db2.gz IFZZOZSOEUMHCS-HNNXBMFYSA-N 0 1 291.416 3.831 20 0 CHADMN CCc1ncc(CN(C)[C@@H](C)c2cc(C)ccc2C)cn1 ZINC000414368193 328156049 /nfs/dbraw/zinc/15/60/49/328156049.db2.gz GTVOYGCCVHWYFX-HNNXBMFYSA-N 0 1 283.419 3.849 20 0 CHADMN CC(C)Cc1ccc([C@H](NCc2nccn2C)C2CC2)cc1 ZINC000264014821 328157211 /nfs/dbraw/zinc/15/72/11/328157211.db2.gz CJEWGMMVWBXQEE-IBGZPJMESA-N 0 1 297.446 3.860 20 0 CHADMN CN(Cc1nc(-c2cccs2)no1)CC1CC(C)(C)C1 ZINC000528503663 328162036 /nfs/dbraw/zinc/16/20/36/328162036.db2.gz FEUDQKGBFQAIJO-UHFFFAOYSA-N 0 1 291.420 3.666 20 0 CHADMN Cc1cc(CN2CC3(CCCCC3)[C@H]2C(C)C)nn1C ZINC000414463665 328182525 /nfs/dbraw/zinc/18/25/25/328182525.db2.gz NZNMSQYIADGWEV-MRXNPFEDSA-N 0 1 275.440 3.519 20 0 CHADMN CN(Cc1nc2ccccc2s1)[C@H](CO)CC(C)(C)C ZINC000451785386 328186377 /nfs/dbraw/zinc/18/63/77/328186377.db2.gz VLAUTYREFAQYNF-LBPRGKRZSA-N 0 1 292.448 3.525 20 0 CHADMN CC1(C)Cc2occc2[C@@H](N[C@@H](CO)c2ccccc2)C1 ZINC000269015909 328188474 /nfs/dbraw/zinc/18/84/74/328188474.db2.gz OKXPOFFWNRDFQY-HOTGVXAUSA-N 0 1 285.387 3.616 20 0 CHADMN CC(C)Oc1ccc([C@H](C)NCc2ccc(F)cn2)cc1 ZINC000269019509 328188525 /nfs/dbraw/zinc/18/85/25/328188525.db2.gz PMVDYJKVSQQXPC-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN C[C@@H]1C[C@H](NCc2csc(-c3cccs3)n2)CS1 ZINC000414499530 328189716 /nfs/dbraw/zinc/18/97/16/328189716.db2.gz KHEGLFZCBCCSGB-ZJUUUORDSA-N 0 1 296.486 3.855 20 0 CHADMN C[C@H]1CCN(CCOCC(F)(F)F)[C@H](c2ccco2)C1 ZINC000174508062 329159552 /nfs/dbraw/zinc/15/95/52/329159552.db2.gz YRXXNPXLZQTUMV-RYUDHWBXSA-N 0 1 291.313 3.632 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2ccc3ccccc3c2O)n1 ZINC000414615225 328202026 /nfs/dbraw/zinc/20/20/26/328202026.db2.gz GPPZPISMFIUQTR-AWEZNQCLSA-N 0 1 297.358 3.641 20 0 CHADMN CCC[C@@H]1CCC[C@H]1c1nc([C@H](N)CC(C)C)no1 ZINC000414617018 328202543 /nfs/dbraw/zinc/20/25/43/328202543.db2.gz IMKFVZLSHUOZSP-JHJVBQTASA-N 0 1 265.401 3.799 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccccn2)cc1C ZINC000273041253 328203318 /nfs/dbraw/zinc/20/33/18/328203318.db2.gz HTQVYILXWOCNPV-KBPBESRZSA-N 0 1 270.376 3.810 20 0 CHADMN CCN(Cc1ccc(Cl)cc1)[C@H](C)c1cnccn1 ZINC000274243419 328210280 /nfs/dbraw/zinc/21/02/80/328210280.db2.gz DJIUESWKTPGNRX-GFCCVEGCSA-N 0 1 275.783 3.713 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000275665013 328215756 /nfs/dbraw/zinc/21/57/56/328215756.db2.gz WGJHBECDRLTRHA-LLVKDONJSA-N 0 1 293.773 3.582 20 0 CHADMN Cc1nc(CNC[C@H](C)Oc2ccc(Cl)cc2)cs1 ZINC000276937968 328220502 /nfs/dbraw/zinc/22/05/02/328220502.db2.gz AGTILVJXCDMKQD-JTQLQIEISA-N 0 1 296.823 3.662 20 0 CHADMN COCCC[C@@H](NCc1ccco1)c1ccc(F)cc1 ZINC000281604029 328239966 /nfs/dbraw/zinc/23/99/66/328239966.db2.gz AOZDOFBQNCFCSU-MRXNPFEDSA-N 0 1 277.339 3.676 20 0 CHADMN Fc1ccc(CN[C@@H](c2cccnc2)C2CC2)c(F)c1 ZINC000340104301 328240492 /nfs/dbraw/zinc/24/04/92/328240492.db2.gz LFKNAIDTSRVJLF-MRXNPFEDSA-N 0 1 274.314 3.601 20 0 CHADMN COc1ccccc1[C@H]1CCC[C@@H](C)N1Cc1ccno1 ZINC000285508833 328247916 /nfs/dbraw/zinc/24/79/16/328247916.db2.gz QRFJQSLGRGTSQG-CZUORRHYSA-N 0 1 286.375 3.799 20 0 CHADMN CCCc1nc(C)c(CNCc2ccc(C)s2)o1 ZINC000291681845 328265642 /nfs/dbraw/zinc/26/56/42/328265642.db2.gz HWBIEKGNGHTNIG-UHFFFAOYSA-N 0 1 264.394 3.595 20 0 CHADMN CCn1cc([C@@H](C)N[C@H](C)c2cc(F)cc(F)c2)cn1 ZINC000296076606 328289061 /nfs/dbraw/zinc/28/90/61/328289061.db2.gz WZFKCSUYXGOKOL-GHMZBOCLSA-N 0 1 279.334 3.593 20 0 CHADMN Cc1nnsc1CN(C)[C@H](c1ccccc1)C(C)C ZINC000583028345 329304688 /nfs/dbraw/zinc/30/46/88/329304688.db2.gz MPKRMYFJULAUEZ-HNNXBMFYSA-N 0 1 275.421 3.676 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cnc(C)cc2C)o1 ZINC000453382845 328299326 /nfs/dbraw/zinc/29/93/26/328299326.db2.gz YLQFBUBGIUHAHO-CYBMUJFWSA-N 0 1 258.365 3.705 20 0 CHADMN C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000471800213 328300957 /nfs/dbraw/zinc/30/09/57/328300957.db2.gz UNUJLCYRZSEALD-SMDDNHRTSA-N 0 1 291.391 3.509 20 0 CHADMN CN(C)c1cccnc1CNCc1ccc(C(C)(C)C)cc1 ZINC000582151553 328303958 /nfs/dbraw/zinc/30/39/58/328303958.db2.gz FXBTWALAGRAPNN-UHFFFAOYSA-N 0 1 297.446 3.735 20 0 CHADMN CC[C@H](C)[C@@H](C)N[C@H](c1nccn1C)c1ccccc1 ZINC000531942527 328325378 /nfs/dbraw/zinc/32/53/78/328325378.db2.gz HRXBNGUKFZVGEH-LZWOXQAQSA-N 0 1 271.408 3.534 20 0 CHADMN C[C@@H]1CN(CCCOc2ccc3ccccc3c2)[C@@H](C)CO1 ZINC000303229438 328328331 /nfs/dbraw/zinc/32/83/31/328328331.db2.gz XJKWZOXXEMAKKL-JKSUJKDBSA-N 0 1 299.414 3.718 20 0 CHADMN CC(C)c1cc(C(=O)N2CCCC3(CCCCC3)C2)n[nH]1 ZINC000111161611 328328602 /nfs/dbraw/zinc/32/86/02/328328602.db2.gz MDDUEXCHZXGSQT-UHFFFAOYSA-N 0 1 289.423 3.720 20 0 CHADMN COC(C)(C)CN(C)c1cc(C)nc2ccc(F)cc21 ZINC000531961358 328337066 /nfs/dbraw/zinc/33/70/66/328337066.db2.gz YNKUPIYKVICSHD-UHFFFAOYSA-N 0 1 276.355 3.544 20 0 CHADMN CC[C@@H](C)CN(C)CC(=O)Nc1ccc(C)cc1Cl ZINC000111254677 328340390 /nfs/dbraw/zinc/34/03/90/328340390.db2.gz YAIITSLFNWIGHP-LLVKDONJSA-N 0 1 282.815 3.565 20 0 CHADMN CCC(CC)[C@@H](C)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000534899193 328369368 /nfs/dbraw/zinc/36/93/68/328369368.db2.gz XUTPFFYBQSEKAE-GFCCVEGCSA-N 0 1 287.407 3.560 20 0 CHADMN CC[C@H]1CCCN1Cc1ccc(F)cc1Br ZINC000049595392 328374034 /nfs/dbraw/zinc/37/40/34/328374034.db2.gz HXPVVLUTDILVBE-LBPRGKRZSA-N 0 1 286.188 3.963 20 0 CHADMN Cc1ccc(NCc2ccc3nc[nH]c3c2)c(F)c1 ZINC000535001926 328374515 /nfs/dbraw/zinc/37/45/15/328374515.db2.gz IHESDOGWHHJYRB-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN Oc1cc(Cl)ccc1-c1nc(-c2ccccc2)no1 ZINC000111687256 328374660 /nfs/dbraw/zinc/37/46/60/328374660.db2.gz URWONAYSOZPEFG-UHFFFAOYSA-N 0 1 272.691 3.763 20 0 CHADMN Oc1ccc(Cl)cc1-c1nc(-c2ccccc2)no1 ZINC000111687282 328374717 /nfs/dbraw/zinc/37/47/17/328374717.db2.gz JIULDPZPXRIAAA-UHFFFAOYSA-N 0 1 272.691 3.763 20 0 CHADMN Cc1cccc2nc(CNC(=O)C[C@H]3CCCC[C@H]3C)[nH]c21 ZINC000535029595 328377129 /nfs/dbraw/zinc/37/71/29/328377129.db2.gz BFQCGDIYZSHOLG-TZMCWYRMSA-N 0 1 299.418 3.704 20 0 CHADMN CN(CCCC(=O)c1ccccc1)Cc1ccccc1F ZINC000049824743 328378595 /nfs/dbraw/zinc/37/85/95/328378595.db2.gz OPAHUKNOESNRDV-UHFFFAOYSA-N 0 1 285.362 3.921 20 0 CHADMN Fc1ccc(C2(NCc3cc(F)cc(F)c3)CC2)cc1 ZINC000535202349 328395516 /nfs/dbraw/zinc/39/55/16/328395516.db2.gz RUYUHOHELNIVPY-UHFFFAOYSA-N 0 1 277.289 3.883 20 0 CHADMN Cc1ccccc1-c1cnc(CN2CCC(C)(C)C2)o1 ZINC000535259833 328398820 /nfs/dbraw/zinc/39/88/20/328398820.db2.gz GCFPPKDNXNPDKE-UHFFFAOYSA-N 0 1 270.376 3.882 20 0 CHADMN Fc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)nc1 ZINC000343105978 328422288 /nfs/dbraw/zinc/42/22/88/328422288.db2.gz XFXWHTDZQAULCO-OAHLLOKOSA-N 0 1 276.742 3.651 20 0 CHADMN Brc1cc(CN2C[C@@H]3CCC[C@H]3C2)cs1 ZINC000532058174 328441310 /nfs/dbraw/zinc/44/13/10/328441310.db2.gz HPZNZOSYQTWBFA-QWRGUYRKSA-N 0 1 286.238 3.743 20 0 CHADMN CCc1ccc([C@H]([NH2+]Cc2csc(C)c2)C(=O)[O-])cc1 ZINC000417579421 328511709 /nfs/dbraw/zinc/51/17/09/328511709.db2.gz CMWIDDWCFAVMBP-HNNXBMFYSA-N 0 1 289.400 3.534 20 0 CHADMN C[C@@H](CNCc1ncccn1)Cc1ccc(C(C)(C)C)cc1 ZINC000580347234 328551836 /nfs/dbraw/zinc/55/18/36/328551836.db2.gz PNIYVYLQQZDENW-OAHLLOKOSA-N 0 1 297.446 3.743 20 0 CHADMN COc1cccc(CNCc2ccc(F)cc2Cl)c1 ZINC000037488862 326853778 /nfs/dbraw/zinc/85/37/78/326853778.db2.gz ZGRIZKIXDVWTFG-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN C[C@H](NCc1cccc(Br)c1)c1ccoc1 ZINC000087289992 326879774 /nfs/dbraw/zinc/87/97/74/326879774.db2.gz ZGQAQMJMWQMRRD-JTQLQIEISA-N 0 1 280.165 3.893 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@H]1CC12CCCC2 ZINC000530627278 326882987 /nfs/dbraw/zinc/88/29/87/326882987.db2.gz IYYSNXKSRQEGSN-SECBINFHSA-N 0 1 265.740 3.564 20 0 CHADMN CCC(C)(C)OCCN[C@H](C)c1ccc(F)cc1F ZINC000308749251 332772060 /nfs/dbraw/zinc/77/20/60/332772060.db2.gz SWNNCKONUYXQRP-LLVKDONJSA-N 0 1 271.351 3.821 20 0 CHADMN C[C@@H](CCc1ccco1)Nc1cc2c(cn1)CCC2 ZINC000556958481 326985732 /nfs/dbraw/zinc/98/57/32/326985732.db2.gz GGQPXEIAJPJTKS-LBPRGKRZSA-N 0 1 256.349 3.597 20 0 CHADMN CC(C)=CCC[C@@H](C)CC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000568866413 327020494 /nfs/dbraw/zinc/02/04/94/327020494.db2.gz AIVJTTUNOMBRDZ-KGLIPLIRSA-N 0 1 291.439 3.538 20 0 CHADMN CCn1cncc1CN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000090170247 327031705 /nfs/dbraw/zinc/03/17/05/327031705.db2.gz OKIHZOQJRNEYBI-AWEZNQCLSA-N 0 1 287.407 3.541 20 0 CHADMN CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000557962081 327037918 /nfs/dbraw/zinc/03/79/18/327037918.db2.gz WIGKQCKKTDJCFU-UHLUBPPHSA-N 0 1 271.719 3.559 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000263459832 327039343 /nfs/dbraw/zinc/03/93/43/327039343.db2.gz BLJUUCOOCWCAKY-YOEHRIQHSA-N 0 1 289.419 3.570 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000263459830 327039367 /nfs/dbraw/zinc/03/93/67/327039367.db2.gz BLJUUCOOCWCAKY-WMLDXEAASA-N 0 1 289.419 3.570 20 0 CHADMN CCc1ccc(/C=C/c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000584112686 327040079 /nfs/dbraw/zinc/04/00/79/327040079.db2.gz CLFCMTUNLSCZSM-FEAKQIBJSA-N 0 1 285.391 3.848 20 0 CHADMN CC(C)C[N@@H+](CC/C=C/c1ccccc1)CCC(=O)[O-] ZINC000584119085 327043009 /nfs/dbraw/zinc/04/30/09/327043009.db2.gz XCDXZWVMFKDTTG-UXBLZVDNSA-N 0 1 275.392 3.523 20 0 CHADMN CCCOc1cccc(CN2CC3(CCC3(F)F)C2)c1 ZINC000584204296 327063761 /nfs/dbraw/zinc/06/37/61/327063761.db2.gz CCDRICBYNJZADJ-UHFFFAOYSA-N 0 1 281.346 3.707 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1csc2ccccc12 ZINC000263526728 327075820 /nfs/dbraw/zinc/07/58/20/327075820.db2.gz UIYVQOIJYFJCTP-NEPJUHHUSA-N 0 1 289.400 3.586 20 0 CHADMN CC[C@@H](c1cccc(OC)c1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000558166509 327077420 /nfs/dbraw/zinc/07/74/20/327077420.db2.gz LRBMJQSCNMTKFS-IRXDYDNUSA-N 0 1 277.408 3.647 20 0 CHADMN COC[C@H](N[C@H](C)c1c(F)cccc1Cl)C(C)C ZINC000394070502 327079850 /nfs/dbraw/zinc/07/98/50/327079850.db2.gz RFOUGYHCBGHJAN-MFKMUULPSA-N 0 1 273.779 3.801 20 0 CHADMN CC[C@@H]1CC[C@H]1N[C@H](c1ccccn1)c1ccccc1OC ZINC000558253138 327082437 /nfs/dbraw/zinc/08/24/37/327082437.db2.gz WDYIHOGQNATONK-OGWOLHLISA-N 0 1 296.414 3.958 20 0 CHADMN COc1ccccc1/C=C/CN1CCCc2occc2C1 ZINC000558427394 327093751 /nfs/dbraw/zinc/09/37/51/327093751.db2.gz TYKQWPZZKTZZQI-QPJJXVBHSA-N 0 1 283.371 3.750 20 0 CHADMN COc1cc([C@H](C)N[C@@H](c2ncccc2C)C(C)C)ccn1 ZINC000573106125 327094879 /nfs/dbraw/zinc/09/48/79/327094879.db2.gz HVAJMRMDKQTGJG-WMLDXEAASA-N 0 1 299.418 3.842 20 0 CHADMN NC1(c2noc(/C=C\c3cc4ccccc4o3)n2)CCCC1 ZINC000569339288 327096791 /nfs/dbraw/zinc/09/67/91/327096791.db2.gz AEQGMPZTDYXZMP-FPLPWBNLSA-N 0 1 295.342 3.714 20 0 CHADMN Fc1cc2c(c(F)c1F)[C@H](NCCC(F)(F)F)CC2 ZINC000449180419 327112639 /nfs/dbraw/zinc/11/26/39/327112639.db2.gz ZCGSNLVKWJGBFE-MRVPVSSYSA-N 0 1 283.215 3.633 20 0 CHADMN CC[C@@H](F)CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000558740437 327118840 /nfs/dbraw/zinc/11/88/40/327118840.db2.gz JOZAJKLSAWWJBB-GHMZBOCLSA-N 0 1 267.310 3.789 20 0 CHADMN Cc1cnccc1CN[C@H](CC(F)F)c1ccccc1 ZINC000566077582 327129166 /nfs/dbraw/zinc/12/91/66/327129166.db2.gz SDAXHZAEPMAOGL-OAHLLOKOSA-N 0 1 276.330 3.876 20 0 CHADMN O=C([O-])[C@@H](c1ccc(F)cc1)[N@H+]1CCC2(C1)CCCCC2 ZINC000573259300 327130009 /nfs/dbraw/zinc/13/00/09/327130009.db2.gz QIMHZQUKGWOEGO-OAHLLOKOSA-N 0 1 291.366 3.608 20 0 CHADMN C[C@@H](N[C@H](CN(C)C)c1ccc(Cl)cc1)c1ccoc1 ZINC000558968002 327135477 /nfs/dbraw/zinc/13/54/77/327135477.db2.gz FWADXYAKDGNXDJ-MLGOLLRUSA-N 0 1 292.810 3.887 20 0 CHADMN CCCCOc1ccc(CN2CC[C@H](OC(F)F)C2)cc1 ZINC000559097717 327141188 /nfs/dbraw/zinc/14/11/88/327141188.db2.gz NGBOAIROOGLQAX-HNNXBMFYSA-N 0 1 299.361 3.679 20 0 CHADMN COc1cccc(Cl)c1CNC1CC(OC(C)(C)C)C1 ZINC000517999881 327144711 /nfs/dbraw/zinc/14/47/11/327144711.db2.gz HKTAFTVHTOOMRO-UHFFFAOYSA-N 0 1 297.826 3.784 20 0 CHADMN COc1cc(F)cc(CN[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000093899603 327146007 /nfs/dbraw/zinc/14/60/07/327146007.db2.gz WBBIFDCWOHNENH-JTQLQIEISA-N 0 1 295.304 3.963 20 0 CHADMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000564463185 327148063 /nfs/dbraw/zinc/14/80/63/327148063.db2.gz QSJHZXZHNHSOIO-GHMZBOCLSA-N 0 1 281.783 3.659 20 0 CHADMN CC(C)O[C@@H]1CCN(Cc2ccccc2C(F)(F)F)C1 ZINC000566172289 327155388 /nfs/dbraw/zinc/15/53/88/327155388.db2.gz BYJHGAFVMZODLF-CYBMUJFWSA-N 0 1 287.325 3.705 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000086756956 327158643 /nfs/dbraw/zinc/15/86/43/327158643.db2.gz YLJNEQZCNGBZLX-NWDGAFQWSA-N 0 1 281.783 3.588 20 0 CHADMN Cc1ccc2cc(CN3CCC[C@@](C)(F)C3)ccc2n1 ZINC000449350254 327166181 /nfs/dbraw/zinc/16/61/81/327166181.db2.gz LOPNEGIXKWIJTF-QGZVFWFLSA-N 0 1 272.367 3.867 20 0 CHADMN CCn1ccnc1CNCc1ccc(C)c2ccccc12 ZINC000569437140 327176969 /nfs/dbraw/zinc/17/69/69/327176969.db2.gz HYDLRURWKMZOJQ-UHFFFAOYSA-N 0 1 279.387 3.654 20 0 CHADMN C[C@@H](NCCOc1ccccc1Cl)c1nccs1 ZINC000090772525 327181606 /nfs/dbraw/zinc/18/16/06/327181606.db2.gz QRGCAZSJLVVLGL-SNVBAGLBSA-N 0 1 282.796 3.526 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@H+]1CCCC(CC)(CC)CC1 ZINC000569462833 327181854 /nfs/dbraw/zinc/18/18/54/327181854.db2.gz ISBSYVMJBTXUBJ-CYBMUJFWSA-N 0 1 255.402 3.532 20 0 CHADMN C[C@@H](NC(CF)CF)C1CCC(C(F)(F)F)CC1 ZINC000449383041 327185049 /nfs/dbraw/zinc/18/50/49/327185049.db2.gz ZXKGJHACNGMLAA-XNWIYYODSA-N 0 1 273.289 3.641 20 0 CHADMN Cc1cc([C@H](C)NCCc2c(C)cc(C)cc2C)no1 ZINC000569534457 327194429 /nfs/dbraw/zinc/19/44/29/327194429.db2.gz YGZLDKUQXIIDHB-HNNXBMFYSA-N 0 1 272.392 3.802 20 0 CHADMN CC[C@H](C)[C@H](CNCc1ncc(C(C)(C)C)s1)OC ZINC000449405110 327199893 /nfs/dbraw/zinc/19/98/93/327199893.db2.gz XHFDQEXPIREIQR-RYUDHWBXSA-N 0 1 284.469 3.591 20 0 CHADMN CCCC[C@@H](C)[N@@H+](CCCC)Cc1nccc(C)n1 ZINC000559385625 327200173 /nfs/dbraw/zinc/20/01/73/327200173.db2.gz CAJINEFGIOEQNK-OAHLLOKOSA-N 0 1 263.429 3.966 20 0 CHADMN CN(Cc1ccc(Cl)cn1)[C@H]1CCc2ccccc21 ZINC000554318247 327209600 /nfs/dbraw/zinc/20/96/00/327209600.db2.gz URIKRLMIJWPGRC-INIZCTEOSA-N 0 1 272.779 3.854 20 0 CHADMN CCOc1cc(-c2nc3ccc(C)c(C)c3[nH]2)ccc1O ZINC000536389743 327234925 /nfs/dbraw/zinc/23/49/25/327234925.db2.gz DMCWPJTWWMMCPT-UHFFFAOYSA-N 0 1 282.343 3.951 20 0 CHADMN CN(Cc1cnn(Cc2ccccc2)c1)Cc1ccccc1 ZINC000053421935 327239826 /nfs/dbraw/zinc/23/98/26/327239826.db2.gz QUAZKOHKJZQRJB-UHFFFAOYSA-N 0 1 291.398 3.563 20 0 CHADMN CC[C@H](C)N1CCc2cc(OC)c(Cl)cc2C1 ZINC000559450175 327245555 /nfs/dbraw/zinc/24/55/55/327245555.db2.gz FTTBDYQBUSVAKP-JTQLQIEISA-N 0 1 253.773 3.505 20 0 CHADMN Clc1ccc([C@@H]2CN(CC3CCCC3)CCO2)cc1 ZINC000559455039 327245822 /nfs/dbraw/zinc/24/58/22/327245822.db2.gz UTDWGEUYTDJGGL-INIZCTEOSA-N 0 1 279.811 3.904 20 0 CHADMN CC1(C)CCC[C@@H](NC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000149996770 327258632 /nfs/dbraw/zinc/25/86/32/327258632.db2.gz XWQIDVVXZMPAON-LLVKDONJSA-N 0 1 281.783 3.744 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1)c1cnn(C)c1 ZINC000044497538 327268085 /nfs/dbraw/zinc/26/80/85/327268085.db2.gz OMIZWKIRDXINDH-GHMZBOCLSA-N 0 1 297.324 3.851 20 0 CHADMN COc1ccc(Cl)cc1[C@H](C)N[C@@H]1CCC[C@@H]1F ZINC000559914982 327270706 /nfs/dbraw/zinc/27/07/06/327270706.db2.gz AWWHISCVVQGOSZ-TVYUQYBPSA-N 0 1 271.763 3.890 20 0 CHADMN CCCOc1cccc(CN[C@@H]2COCc3ccccc32)c1 ZINC000559920783 327271935 /nfs/dbraw/zinc/27/19/35/327271935.db2.gz INPFVQGLUBFBBK-LJQANCHMSA-N 0 1 297.398 3.837 20 0 CHADMN CO[C@H]1CCN(Cc2cscc2C(F)(F)F)C[C@@H]1C ZINC000449492748 327276359 /nfs/dbraw/zinc/27/63/59/327276359.db2.gz CPUVMSFJFVALFF-CABZTGNLSA-N 0 1 293.354 3.624 20 0 CHADMN NC1(c2noc(-c3cc4ccccc4s3)n2)CCCC1 ZINC000048856750 327280340 /nfs/dbraw/zinc/28/03/40/327280340.db2.gz YQNHKQNHLYNJQC-UHFFFAOYSA-N 0 1 285.372 3.679 20 0 CHADMN CN(CCCc1cccc2ccccc21)Cc1cc[nH]n1 ZINC000525622892 327281610 /nfs/dbraw/zinc/28/16/10/327281610.db2.gz MXNYKYCLYUSRLL-UHFFFAOYSA-N 0 1 279.387 3.628 20 0 CHADMN FC1(F)CCC[C@H]1CNCc1csc(C2CC2)n1 ZINC000449496320 327283058 /nfs/dbraw/zinc/28/30/58/327283058.db2.gz PQMKENYDLNLLBS-JTQLQIEISA-N 0 1 272.364 3.546 20 0 CHADMN CCc1cc(NC(=O)[C@@H](N)c2ccc(C)cc2)ccc1C ZINC000261607333 327284362 /nfs/dbraw/zinc/28/43/62/327284362.db2.gz DBEVLWTZQQMBPM-KRWDZBQOSA-N 0 1 282.387 3.504 20 0 CHADMN Cc1cccc([C@H]2CCC[N@H+]2CCCCCC(=O)[O-])c1 ZINC000574092513 327289182 /nfs/dbraw/zinc/28/91/82/327289182.db2.gz ROAUHANTGDPFCV-MRXNPFEDSA-N 0 1 275.392 3.777 20 0 CHADMN Cc1cc(CN[C@H](c2cc3ccccc3o2)C(C)C)n(C)n1 ZINC000560237262 327291967 /nfs/dbraw/zinc/29/19/67/327291967.db2.gz AWCXOXTUUXHNTN-SFHVURJKSA-N 0 1 297.402 3.962 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000578012752 327294430 /nfs/dbraw/zinc/29/44/30/327294430.db2.gz WYZSKJHTGGQXPG-YCPHGPKFSA-N 0 1 281.440 3.636 20 0 CHADMN COc1ccsc1CN1CCC(CC(F)(F)F)CC1 ZINC000560276413 327295574 /nfs/dbraw/zinc/29/55/74/327295574.db2.gz MWVPYJKYZIXMIL-UHFFFAOYSA-N 0 1 293.354 3.921 20 0 CHADMN Cc1ccccc1CN(C)Cc1ccc2c(n1)CCC2 ZINC000560572143 327326618 /nfs/dbraw/zinc/32/66/18/327326618.db2.gz SATZFWKKVUTQNY-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN C[N@@H+](CC1CCCC1)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000566358668 327334870 /nfs/dbraw/zinc/33/48/70/327334870.db2.gz KMKXQORTAUWPPX-AWEZNQCLSA-N 0 1 299.773 3.727 20 0 CHADMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1cc(C(=O)[O-])oc1C)C1CC1 ZINC000566359371 327335841 /nfs/dbraw/zinc/33/58/41/327335841.db2.gz UWJLFHPCGNUONA-WDEREUQCSA-N 0 1 279.380 3.685 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1C[C@H](C)C[C@H](C)C1 ZINC000015466873 327359391 /nfs/dbraw/zinc/35/93/91/327359391.db2.gz ZFJPWWMSQBZYSB-TXEJJXNPSA-N 0 1 294.826 3.565 20 0 CHADMN O=C(/C=C/c1ccccc1)Nc1cc(Cl)c(O)cc1F ZINC000170271352 327371843 /nfs/dbraw/zinc/37/18/43/327371843.db2.gz GRUIPMLUNHORNU-VOTSOKGWSA-N 0 1 291.709 3.837 20 0 CHADMN COc1cc(CN[C@H]2CSc3ccccc32)ccc1C ZINC000561327395 327386193 /nfs/dbraw/zinc/38/61/93/327386193.db2.gz KREBGOTVYUJKAN-HNNXBMFYSA-N 0 1 285.412 3.940 20 0 CHADMN Cc1nc2cccc(C(=O)NC(C3CCC3)C3CCC3)c2[nH]1 ZINC000561371231 327389865 /nfs/dbraw/zinc/38/98/65/327389865.db2.gz GSOVLOGELBWYHP-UHFFFAOYSA-N 0 1 297.402 3.570 20 0 CHADMN COCc1ccc(CN2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC000561484936 327398296 /nfs/dbraw/zinc/39/82/96/327398296.db2.gz BPHUUZYUGLTOGU-IBGZPJMESA-N 0 1 299.389 3.904 20 0 CHADMN C[C@H]1CC[C@H](CC(=O)Nc2cc(Cl)c(O)cc2F)C1 ZINC000561681243 327410332 /nfs/dbraw/zinc/41/03/32/327410332.db2.gz YPYJHWQLVFLQDD-IUCAKERBSA-N 0 1 285.746 3.950 20 0 CHADMN COc1nc(C)cc(C)c1CNC(C)(C)c1cccs1 ZINC000561887568 327428575 /nfs/dbraw/zinc/42/85/75/327428575.db2.gz KKSLIMMQQCBHQL-UHFFFAOYSA-N 0 1 290.432 3.793 20 0 CHADMN CC(C)(C)c1cnc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)s1 ZINC000561975609 327435712 /nfs/dbraw/zinc/43/57/12/327435712.db2.gz FLQNNMKSZHAYSL-IAOVAPTHSA-N 0 1 298.455 3.869 20 0 CHADMN C[C@@H]1Oc2cc(F)ccc2[C@H]1N[C@H]1CCc2ccccc21 ZINC000562060306 327445859 /nfs/dbraw/zinc/44/58/59/327445859.db2.gz WRPPQOHDJPTEOX-PBQZTSCYSA-N 0 1 283.346 3.925 20 0 CHADMN Fc1cccc([C@@H](NCc2cnccn2)C2CCCC2)c1 ZINC000562685746 327505021 /nfs/dbraw/zinc/50/50/21/327505021.db2.gz BDVWFXZUXNQQIJ-KRWDZBQOSA-N 0 1 285.366 3.637 20 0 CHADMN C/C(=C\c1ccccc1)CNCc1ccn(C(C)C)n1 ZINC000570301890 327582121 /nfs/dbraw/zinc/58/21/21/327582121.db2.gz FUFDMZDLJAYNFG-RVDMUPIBSA-N 0 1 269.392 3.657 20 0 CHADMN Cc1nc(CN[C@H](CC(C)C)c2ccccc2)[nH]c1C ZINC000582192578 328622570 /nfs/dbraw/zinc/62/25/70/328622570.db2.gz NEXPNCCMECVDMF-MRXNPFEDSA-N 0 1 271.408 3.904 20 0 CHADMN CC[C@H](C)CNc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000536754347 328689322 /nfs/dbraw/zinc/68/93/22/328689322.db2.gz XKLKWALIMIPJBS-ARFHVFGLSA-N 0 1 290.451 3.754 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)N[C@@H](CO)c1ccccc1C ZINC000532549917 328788698 /nfs/dbraw/zinc/78/86/98/328788698.db2.gz IZBLYMZXVHFSRQ-QAPCUYQASA-N 0 1 299.414 3.696 20 0 CHADMN Cc1cc([C@@H](C)Nc2ccnc(C)c2Cl)c(C)o1 ZINC000336786870 328838167 /nfs/dbraw/zinc/83/81/67/328838167.db2.gz CVZQAFYLKDYCIK-SECBINFHSA-N 0 1 264.756 3.848 20 0 CHADMN Fc1cccc(CN[C@H]2CCc3c2c(F)ccc3F)c1 ZINC000507829169 332826666 /nfs/dbraw/zinc/82/66/66/332826666.db2.gz IOWHVPMNOWULJR-HNNXBMFYSA-N 0 1 277.289 3.881 20 0 CHADMN COc1cc2c(cc1F)nccc2NCCCCSC ZINC000359497339 328898045 /nfs/dbraw/zinc/89/80/45/328898045.db2.gz AKBZIBCHVBAEOY-UHFFFAOYSA-N 0 1 294.395 3.938 20 0 CHADMN Cc1noc([C@H](C)N[C@H](C)CCc2ccc(Cl)s2)n1 ZINC000361610857 328926276 /nfs/dbraw/zinc/92/62/76/328926276.db2.gz OPGDQUTXPUXMPE-BDAKNGLRSA-N 0 1 299.827 3.765 20 0 CHADMN Cc1noc([C@H](C)N[C@@H](C)CCc2ccc(Cl)s2)n1 ZINC000361610859 328926330 /nfs/dbraw/zinc/92/63/30/328926330.db2.gz OPGDQUTXPUXMPE-IUCAKERBSA-N 0 1 299.827 3.765 20 0 CHADMN CC(C)(C)c1nc(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cs1 ZINC000582352962 328968621 /nfs/dbraw/zinc/96/86/21/328968621.db2.gz HNNJSYIOAMIURM-OWCLPIDISA-N 0 1 298.455 3.869 20 0 CHADMN c1csc(-c2cc(CN3CCC[C@H]3C3CC3)no2)c1 ZINC000377546423 329018411 /nfs/dbraw/zinc/01/84/11/329018411.db2.gz UVTCRVHGDKHJSY-ZDUSSCGKSA-N 0 1 274.389 3.778 20 0 CHADMN Fc1cccc(C=C2CCN(Cc3ccncc3)CC2)c1 ZINC000378252518 329044263 /nfs/dbraw/zinc/04/42/63/329044263.db2.gz NZVHSSAEJIQBGU-UHFFFAOYSA-N 0 1 282.362 3.900 20 0 CHADMN COc1ccc(-c2cnc(CN3CCC4(CC4)CC3)o2)cc1 ZINC000378326258 329046195 /nfs/dbraw/zinc/04/61/95/329046195.db2.gz LPRMSNTZNKRVER-UHFFFAOYSA-N 0 1 298.386 3.726 20 0 CHADMN Cc1ccc([C@H]2CCN([C@@H](C)c3nc(C4CC4)no3)C2)cc1 ZINC000378650295 329058247 /nfs/dbraw/zinc/05/82/47/329058247.db2.gz LXEIYBSMECJCQA-BBRMVZONSA-N 0 1 297.402 3.806 20 0 CHADMN Cc1cccc([C@H](C)SCc2n[nH]c(C3CC3)n2)c1 ZINC000193671312 329060561 /nfs/dbraw/zinc/06/05/61/329060561.db2.gz SGAGYWZADYNDED-NSHDSACASA-N 0 1 273.405 3.985 20 0 CHADMN Cc1ncc(CN(C)[C@H]2CCc3ccccc32)s1 ZINC000193904353 329062741 /nfs/dbraw/zinc/06/27/41/329062741.db2.gz IUCRJEMDRNJWQP-HNNXBMFYSA-N 0 1 258.390 3.571 20 0 CHADMN C=Cn1cc(CN2CCS[C@H](C)[C@H]2c2ccccc2)cn1 ZINC000193984366 329064439 /nfs/dbraw/zinc/06/44/39/329064439.db2.gz NXOAVVLKEDLSTA-PBHICJAKSA-N 0 1 299.443 3.662 20 0 CHADMN C=Cn1cc(CN2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)cn1 ZINC000194056089 329065219 /nfs/dbraw/zinc/06/52/19/329065219.db2.gz UGPPJAWJDINXAR-CZUORRHYSA-N 0 1 285.391 3.858 20 0 CHADMN C[C@@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccsc1 ZINC000360058534 329070679 /nfs/dbraw/zinc/07/06/79/329070679.db2.gz MBSITEIYHFJKKR-MLGOLLRUSA-N 0 1 272.417 3.585 20 0 CHADMN CCn1ccnc1CN1CCC[C@H]1c1ccccc1C ZINC000171380155 329073838 /nfs/dbraw/zinc/07/38/38/329073838.db2.gz MZJRTGHTLNRLAK-INIZCTEOSA-N 0 1 269.392 3.549 20 0 CHADMN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC1CCCCC1 ZINC000582617058 329118451 /nfs/dbraw/zinc/11/84/51/329118451.db2.gz LUMFFZWXAGURPJ-IAGOWNOFSA-N 0 1 293.451 3.922 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000582670945 329122535 /nfs/dbraw/zinc/12/25/35/329122535.db2.gz CKIHWLDEUJREFM-CWRNSKLLSA-N 0 1 275.392 3.508 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000582670948 329122663 /nfs/dbraw/zinc/12/26/63/329122663.db2.gz CKIHWLDEUJREFM-VNQPRFMTSA-N 0 1 275.392 3.508 20 0 CHADMN Cc1c(CN(C)Cc2ccc(C(C)(C)C)cc2)cnn1C ZINC000582681122 329127517 /nfs/dbraw/zinc/12/75/17/329127517.db2.gz FKWIHSXPERCGMI-UHFFFAOYSA-N 0 1 285.435 3.658 20 0 CHADMN Cc1ccc(C[C@@H](C)N(C)Cc2cscn2)cc1 ZINC000172434384 329135482 /nfs/dbraw/zinc/13/54/82/329135482.db2.gz RDEDLOYPEUJYDR-CYBMUJFWSA-N 0 1 260.406 3.515 20 0 CHADMN c1sc(-c2ccccn2)nc1CN1CCC2(CCCC2)C1 ZINC000174277699 329156287 /nfs/dbraw/zinc/15/62/87/329156287.db2.gz FQJIVPJRGLCYLL-UHFFFAOYSA-N 0 1 299.443 3.971 20 0 CHADMN CC1CCN(Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000175062816 329162331 /nfs/dbraw/zinc/16/23/31/329162331.db2.gz WOEGBIQLHVYXMP-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN C[C@H]1CCN(Cc2cccnc2)[C@@H]1c1cccc(F)c1 ZINC000175305957 329164535 /nfs/dbraw/zinc/16/45/35/329164535.db2.gz JFAUZNJUSGNZJU-GUYCJALGSA-N 0 1 270.351 3.804 20 0 CHADMN CC(C)c1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)n[nH]1 ZINC000176535915 329176720 /nfs/dbraw/zinc/17/67/20/329176720.db2.gz SGMVLBXGLWJHHW-UKRRQHHQSA-N 0 1 297.402 3.551 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccco1)c1ccccc1-n1cccn1 ZINC000177188822 329181741 /nfs/dbraw/zinc/18/17/41/329181741.db2.gz RZHHCDOASPILPY-KGLIPLIRSA-N 0 1 281.359 3.877 20 0 CHADMN C[C@@H](N[C@@H](c1nccs1)c1ccccc1)C1CC1 ZINC000177270393 329182820 /nfs/dbraw/zinc/18/28/20/329182820.db2.gz CAJLBZBXSCRGPR-BXUZGUMPSA-N 0 1 258.390 3.621 20 0 CHADMN CO[C@H](C)c1nc(CN(C)[C@H]2CCCC[C@H]2C)cs1 ZINC000177649314 329188721 /nfs/dbraw/zinc/18/87/21/329188721.db2.gz XGYXAYYMTPKCFB-BZPMIXESSA-N 0 1 282.453 3.861 20 0 CHADMN Cc1ncc(CN(C)[C@@H]2CCc3ccc(F)cc32)s1 ZINC000177688136 329189192 /nfs/dbraw/zinc/18/91/92/329189192.db2.gz VIPPJBUPZZBQBA-OAHLLOKOSA-N 0 1 276.380 3.710 20 0 CHADMN CCOc1ccc2c(c1)[C@H](NCc1ccsc1)CCO2 ZINC000178024399 329191830 /nfs/dbraw/zinc/19/18/30/329191830.db2.gz CCZHQBXKQVYOOW-OAHLLOKOSA-N 0 1 289.400 3.760 20 0 CHADMN C[C@@H]1CCN(Cc2ncc(-c3cccs3)o2)[C@@H]1C ZINC000177897750 329193746 /nfs/dbraw/zinc/19/37/46/329193746.db2.gz WEAPKIXDGQRHOO-GHMZBOCLSA-N 0 1 262.378 3.633 20 0 CHADMN C[C@@H](N[C@H]1CCCOc2ccccc21)c1ccoc1 ZINC000178317474 329198643 /nfs/dbraw/zinc/19/86/43/329198643.db2.gz QQMAIRZJDPULLS-DOMZBBRYSA-N 0 1 257.333 3.844 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccccc1)c1ccc2ccccc2n1 ZINC000178351324 329199027 /nfs/dbraw/zinc/19/90/27/329199027.db2.gz IAIYUKUXLRHYPA-AUUYWEPGSA-N 0 1 292.382 3.619 20 0 CHADMN FC1(CN2CCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000525977310 329199682 /nfs/dbraw/zinc/19/96/82/329199682.db2.gz DZMYNYNBQDOAEH-ZDUSSCGKSA-N 0 1 253.748 3.979 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)Cc1n[nH]c(C2CC2)n1 ZINC000180410790 329216015 /nfs/dbraw/zinc/21/60/15/329216015.db2.gz GPUIWDXFYAFJBE-SNVBAGLBSA-N 0 1 290.798 3.529 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NCc1ccccc1OC1CCC1 ZINC000180972499 329224458 /nfs/dbraw/zinc/22/44/58/329224458.db2.gz XBRQUVQERWEZNH-ZDUSSCGKSA-N 0 1 299.418 3.511 20 0 CHADMN Clc1cccc2c1OCCC[C@H]2NCc1cncs1 ZINC000180992964 329224715 /nfs/dbraw/zinc/22/47/15/329224715.db2.gz SUQFWPCMVBTAEA-CYBMUJFWSA-N 0 1 294.807 3.800 20 0 CHADMN C[C@H]1CCC[C@H](N(C)Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000181100552 329226077 /nfs/dbraw/zinc/22/60/77/329226077.db2.gz GYNMFGWZMSIHEU-WFASDCNBSA-N 0 1 288.439 3.501 20 0 CHADMN C[C@H](N[C@H]1CCCOc2c(F)cccc21)c1ccoc1 ZINC000181322062 329231384 /nfs/dbraw/zinc/23/13/84/329231384.db2.gz HFBKYBAANHWMPV-NHYWBVRUSA-N 0 1 275.323 3.983 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cccnc1 ZINC000181402905 329232557 /nfs/dbraw/zinc/23/25/57/329232557.db2.gz LWATXJNMDNHAFE-WBAXXEDZSA-N 0 1 282.387 3.653 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2nc(C(C)C)cs2)C12CCC2 ZINC000181910768 329238218 /nfs/dbraw/zinc/23/82/18/329238218.db2.gz HCFKHLASEVWAMU-KGLIPLIRSA-N 0 1 294.464 3.704 20 0 CHADMN COc1ccccc1CCC[N@@H+](C)Cc1ccoc1C ZINC000182413874 329242142 /nfs/dbraw/zinc/24/21/42/329242142.db2.gz IAWFSWJWNDEFDR-UHFFFAOYSA-N 0 1 273.376 3.661 20 0 CHADMN CCN(Cc1ccc(CO)cc1)Cc1ccccc1Cl ZINC000182648498 329243719 /nfs/dbraw/zinc/24/37/19/329243719.db2.gz IZOZDJUSTSAOSJ-UHFFFAOYSA-N 0 1 289.806 3.854 20 0 CHADMN Cn1ccnc1[C@H](N[C@H]1CCCc2cc(F)ccc21)C1CC1 ZINC000183364920 329247243 /nfs/dbraw/zinc/24/72/43/329247243.db2.gz ULCJNIFRYOGVHY-DLBZAZTESA-N 0 1 299.393 3.678 20 0 CHADMN CCC(=O)CCCSc1nnc(CCC2CCCC2)[nH]1 ZINC000183866125 329253633 /nfs/dbraw/zinc/25/36/33/329253633.db2.gz BMSVWWREAJFYMI-UHFFFAOYSA-N 0 1 295.452 3.779 20 0 CHADMN CCC(=O)CCCSc1nc(CCC2CCCC2)n[nH]1 ZINC000183866125 329253634 /nfs/dbraw/zinc/25/36/34/329253634.db2.gz BMSVWWREAJFYMI-UHFFFAOYSA-N 0 1 295.452 3.779 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(F)F)cc2)CC(C)(C)O1 ZINC000183929199 329254737 /nfs/dbraw/zinc/25/47/37/329254737.db2.gz YXQCLSICAZYDKR-LLVKDONJSA-N 0 1 269.335 3.624 20 0 CHADMN CCCC[C@H]1CCC[C@@H]1NCc1nnc(C(C)C)o1 ZINC000184699488 329262052 /nfs/dbraw/zinc/26/20/52/329262052.db2.gz LZJUNLQQOMOLQG-STQMWFEESA-N 0 1 265.401 3.642 20 0 CHADMN CCCC[C@H]1CCC[C@H]1NCc1nc([C@@H](C)OCC)no1 ZINC000184706189 329262773 /nfs/dbraw/zinc/26/27/73/329262773.db2.gz NWLMFEKTFPZABM-HZSPNIEDSA-N 0 1 295.427 3.616 20 0 CHADMN CCOC(C[N@H+]1CCCCC[C@H]1c1ccco1)OCC ZINC000184972911 329266120 /nfs/dbraw/zinc/26/61/20/329266120.db2.gz SQEFPFDEXBYQHA-AWEZNQCLSA-N 0 1 281.396 3.596 20 0 CHADMN Cc1ccc2nc(S[C@@H](C)c3cnccn3)[nH]c2c1 ZINC000185154051 329266720 /nfs/dbraw/zinc/26/67/20/329266720.db2.gz POIDJYRTNISLLH-JTQLQIEISA-N 0 1 270.361 3.515 20 0 CHADMN C[C@H]1Oc2ccccc2[C@@H]1NCc1cc2ccc(F)cc2[nH]1 ZINC000582957350 329289415 /nfs/dbraw/zinc/28/94/15/329289415.db2.gz UDKGJDMLWZXWMQ-ADLMAVQZSA-N 0 1 296.345 3.919 20 0 CHADMN CC(C)[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000395707938 329300018 /nfs/dbraw/zinc/30/00/18/329300018.db2.gz ARPAECQSTREBAX-OAHLLOKOSA-N 0 1 279.355 3.534 20 0 CHADMN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CC1CCCC1 ZINC000583095569 329315416 /nfs/dbraw/zinc/31/54/16/329315416.db2.gz NPGSWYSIWYWDQM-HOTGVXAUSA-N 0 1 279.424 3.532 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000187021938 329351754 /nfs/dbraw/zinc/35/17/54/329351754.db2.gz XNSOHDKPCYCZIL-YIBTVLSRSA-N 0 1 283.774 3.528 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2ccc(C)nc2C)n1 ZINC000187181665 329354395 /nfs/dbraw/zinc/35/43/95/329354395.db2.gz MEMIIJSFVNAEJH-GOSISDBHSA-N 0 1 281.403 3.739 20 0 CHADMN C[C@H]1CCCCN(Cc2csc(C3CC3)n2)C1 ZINC000187972673 329361821 /nfs/dbraw/zinc/36/18/21/329361821.db2.gz PELGSNVYEQGCKC-NSHDSACASA-N 0 1 250.411 3.643 20 0 CHADMN CCO[C@@H](C)c1nc(CN2CCCC[C@H](C)C2)cs1 ZINC000187978621 329364503 /nfs/dbraw/zinc/36/45/03/329364503.db2.gz VJTAXFBAHKGQTB-STQMWFEESA-N 0 1 282.453 3.863 20 0 CHADMN C[C@@H](CC1CCOCC1)CN1Cc2cccc(F)c2C1 ZINC000459711009 329366153 /nfs/dbraw/zinc/36/61/53/329366153.db2.gz LRYDIWBHKDBPQM-ZDUSSCGKSA-N 0 1 277.383 3.594 20 0 CHADMN c1cc(CN[C@@H]2CCc3ccc(-c4ccccc4)cc32)n[nH]1 ZINC000189578460 329383522 /nfs/dbraw/zinc/38/35/22/329383522.db2.gz KHWSUGWGMWYADK-LJQANCHMSA-N 0 1 289.382 3.854 20 0 CHADMN Cc1cncc(CN2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000190036672 329392062 /nfs/dbraw/zinc/39/20/62/329392062.db2.gz NUHUNZSEWIHXLP-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1NCc1n[nH]c(C2CC2)n1 ZINC000190385197 329395887 /nfs/dbraw/zinc/39/58/87/329395887.db2.gz DGDNPTBZNXCQBC-UHFFFAOYSA-N 0 1 296.296 3.621 20 0 CHADMN CCS[C@H]1CCC[C@H]1NCc1ncc(Cl)s1 ZINC000233850381 329410596 /nfs/dbraw/zinc/41/05/96/329410596.db2.gz UAJLXIWRHBZVEE-BDAKNGLRSA-N 0 1 276.858 3.560 20 0 CHADMN COCCCCNC1(c2c(Cl)cccc2Cl)CC1 ZINC000509005778 332855395 /nfs/dbraw/zinc/85/53/95/332855395.db2.gz GBDZSRVRZZCHAQ-UHFFFAOYSA-N 0 1 288.218 3.999 20 0 CHADMN Cc1nc(CNC(C)(C)Cc2ccc(C)cc2)oc1C ZINC000419336070 329717901 /nfs/dbraw/zinc/71/79/01/329717901.db2.gz PIPRDDWVGHTLLA-UHFFFAOYSA-N 0 1 272.392 3.711 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)NCC[C@@H](C)F)n2)cc1F ZINC000509604743 332875007 /nfs/dbraw/zinc/87/50/07/332875007.db2.gz NXTGFFSLWKGPKK-MNOVXSKESA-N 0 1 295.333 3.583 20 0 CHADMN C(CC1CCCCC1)c1noc(C23CCCN2CCC3)n1 ZINC000420482284 329767018 /nfs/dbraw/zinc/76/70/18/329767018.db2.gz IMHZTVZKPLTZPW-UHFFFAOYSA-N 0 1 289.423 3.667 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(F)c(F)c2)cc(C)n1 ZINC000421209789 329806148 /nfs/dbraw/zinc/80/61/48/329806148.db2.gz ZROSUMYURQMVGI-GFCCVEGCSA-N 0 1 276.330 3.827 20 0 CHADMN Cc1ccc(O)c(CN[C@H](CC(F)F)c2ccccc2)n1 ZINC000421377858 329817091 /nfs/dbraw/zinc/81/70/91/329817091.db2.gz ULVOQAUNQFPZCV-CYBMUJFWSA-N 0 1 292.329 3.582 20 0 CHADMN COC[C@@H](C)N1Cc2ccccc2-c2ccccc2C1 ZINC000075683524 329875027 /nfs/dbraw/zinc/87/50/27/329875027.db2.gz LMXIVIWYXCYQCK-CQSZACIVSA-N 0 1 267.372 3.704 20 0 CHADMN C[C@@H](NC/C=C\c1ccc(F)cc1)c1ccncc1F ZINC000509932103 332886005 /nfs/dbraw/zinc/88/60/05/332886005.db2.gz BIMPYDFAYMGXPV-ZZKXABKFSA-N 0 1 274.314 3.724 20 0 CHADMN CC(C)c1ccc(CCc2nc(C3(N)CCCC3)no2)cc1 ZINC000261802367 329984450 /nfs/dbraw/zinc/98/44/50/329984450.db2.gz PGYUBMWHLBJFGF-UHFFFAOYSA-N 0 1 299.418 3.706 20 0 CHADMN Cc1ccc([C@H](N)C(=O)N(C)c2cccc(C(C)C)c2)cc1 ZINC000262662207 330025051 /nfs/dbraw/zinc/02/50/51/330025051.db2.gz ODXMHBPSQZQMQA-SFHVURJKSA-N 0 1 296.414 3.781 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000263130504 330045019 /nfs/dbraw/zinc/04/50/19/330045019.db2.gz CWVVHHPTDVLANG-QWHCGFSZSA-N 0 1 295.810 3.642 20 0 CHADMN CC(C)C[C@H](C[N@H+]1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000263418516 330054838 /nfs/dbraw/zinc/05/48/38/330054838.db2.gz OBGTZFMHWCUVTB-IAGOWNOFSA-N 0 1 289.419 3.755 20 0 CHADMN CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000263431059 330055543 /nfs/dbraw/zinc/05/55/43/330055543.db2.gz SCQVIHCQNUPRMH-GDBMZVCRSA-N 0 1 275.392 3.785 20 0 CHADMN Cc1ccc(-c2cccc(C[N@H+]3CCC[C@@H]3C(=O)[O-])c2)cc1 ZINC000263443508 330055947 /nfs/dbraw/zinc/05/59/47/330055947.db2.gz XFCFJVBZTASJQF-GOSISDBHSA-N 0 1 295.382 3.711 20 0 CHADMN Cc1cc(C)cc(-c2ccc(C[N@H+](C)[C@H](C)C(=O)[O-])cc2)c1 ZINC000263451631 330056518 /nfs/dbraw/zinc/05/65/18/330056518.db2.gz ZWECVFVEWBUAJK-OAHLLOKOSA-N 0 1 297.398 3.875 20 0 CHADMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](CCCC1CCCCC1)C2 ZINC000263523595 330058862 /nfs/dbraw/zinc/05/88/62/330058862.db2.gz SFIOTEXIGYTNMD-DOTOQJQBSA-N 0 1 279.424 3.534 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cnn3ccccc23)c1 ZINC000432889883 330069948 /nfs/dbraw/zinc/06/99/48/330069948.db2.gz YJTZQIBFNLVJBW-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN C[C@H](NCCOc1ccccc1F)c1ccncc1Cl ZINC000421799172 330080241 /nfs/dbraw/zinc/08/02/41/330080241.db2.gz DIMMXMFNXYNCKD-NSHDSACASA-N 0 1 294.757 3.604 20 0 CHADMN CC(C)CC[C@@H](O)CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000504686145 330087564 /nfs/dbraw/zinc/08/75/64/330087564.db2.gz ABEMXKSQMZNDMG-CVEARBPZSA-N 0 1 281.827 3.884 20 0 CHADMN C[C@@H](N[C@H](c1cccnc1)C1CC1)c1ccncc1Cl ZINC000421833856 330091558 /nfs/dbraw/zinc/09/15/58/330091558.db2.gz JQUXNMVLVFQYDC-BZNIZROVSA-N 0 1 287.794 3.932 20 0 CHADMN C[C@@H]1CSCCN(Cc2nc3ccc(F)cc3s2)C1 ZINC000432928861 330093647 /nfs/dbraw/zinc/09/36/47/330093647.db2.gz AARHJTFSSLXTQQ-JTQLQIEISA-N 0 1 296.436 3.620 20 0 CHADMN C[C@H](CN[C@H](C)c1ccncc1Cl)C(F)(F)F ZINC000421842187 330093993 /nfs/dbraw/zinc/09/39/93/330093993.db2.gz MZWWQIKYGSKQRP-HTQZYQBOSA-N 0 1 266.694 3.584 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1cc(C)nc(C)c1 ZINC000421864396 330098766 /nfs/dbraw/zinc/09/87/66/330098766.db2.gz YKOCOMWUHCNPFC-GFCCVEGCSA-N 0 1 276.405 3.619 20 0 CHADMN C[C@@H]1C[C@@H](CSCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000433021576 330124664 /nfs/dbraw/zinc/12/46/64/330124664.db2.gz RHRIJUCDMSSIHO-WBVHZDCISA-N 0 1 293.476 3.667 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(C)c(C)n2)cs1 ZINC000314819767 330128372 /nfs/dbraw/zinc/12/83/72/330128372.db2.gz QOKMDJMRHIPJKC-ZDUSSCGKSA-N 0 1 260.406 3.919 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1cccc2c1CCCN2 ZINC000423411049 330197399 /nfs/dbraw/zinc/19/73/99/330197399.db2.gz DWVIAFGTKBDCEL-CQSZACIVSA-N 0 1 295.430 3.853 20 0 CHADMN Cc1ccnc([C@@H](C)NCc2ccc3c(c2)CCCN3)c1 ZINC000423442179 330201839 /nfs/dbraw/zinc/20/18/39/330201839.db2.gz JNJCIHSCFAAVMS-CQSZACIVSA-N 0 1 281.403 3.599 20 0 CHADMN CC1(C)C[C@H](N[C@@H](c2ccco2)c2ccccc2)CO1 ZINC000396831961 330227010 /nfs/dbraw/zinc/22/70/10/330227010.db2.gz RZIVUNRWVCMXBF-GOEBONIOSA-N 0 1 271.360 3.526 20 0 CHADMN CC(C)C[C@@H]1CCCN1Cc1cncc(Br)c1 ZINC000396892607 330228404 /nfs/dbraw/zinc/22/84/04/330228404.db2.gz XRLCTRDKPKFWLD-AWEZNQCLSA-N 0 1 297.240 3.855 20 0 CHADMN Cc1cccc(OCCNCc2c(F)cccc2Cl)c1 ZINC000032156901 330237212 /nfs/dbraw/zinc/23/72/12/330237212.db2.gz CWQHYQZUZUWKGJ-UHFFFAOYSA-N 0 1 293.769 3.956 20 0 CHADMN COc1ccc([C@@H](C)NCc2cnc(C)cc2C)c(F)c1 ZINC000397053673 330237401 /nfs/dbraw/zinc/23/74/01/330237401.db2.gz LWCJVHWSPQOLGI-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN Fc1ccccc1C1CCN(CC2(F)CC2)CC1 ZINC000527219420 330238803 /nfs/dbraw/zinc/23/88/03/330238803.db2.gz BDSNAGUBXQZAIO-UHFFFAOYSA-N 0 1 251.320 3.507 20 0 CHADMN Cc1ccc(CNCC2(F)CC2)c(OCC(F)(F)F)c1 ZINC000527237719 330240218 /nfs/dbraw/zinc/24/02/18/330240218.db2.gz KNYHSSLJBMLSCM-UHFFFAOYSA-N 0 1 291.288 3.528 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)OCO2)c1ccc(Cl)s1 ZINC000035286071 330245585 /nfs/dbraw/zinc/24/55/85/330245585.db2.gz OYZNFROZKNOGLH-SECBINFHSA-N 0 1 295.791 3.981 20 0 CHADMN CC(C)(C)C=CC(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000116741515 330249836 /nfs/dbraw/zinc/24/98/36/330249836.db2.gz MZNQFEZPHAWVAD-CMDGGOBGSA-N 0 1 269.348 3.618 20 0 CHADMN CCc1cnc(CN(C)CC2CC(C)(C)C2)s1 ZINC000528398423 330254786 /nfs/dbraw/zinc/25/47/86/330254786.db2.gz GWRXHLSQZYMRSD-UHFFFAOYSA-N 0 1 252.427 3.574 20 0 CHADMN CC(C)n1nccc1CN1CC[C@@H](C)[C@H]2CCCC[C@@H]21 ZINC000527510267 330255300 /nfs/dbraw/zinc/25/53/00/330255300.db2.gz MGRBCFUZPROFAC-OIISXLGYSA-N 0 1 275.440 3.865 20 0 CHADMN Cc1cc(CN2CCC[C@@H](C(F)(F)F)[C@@H]2C)ccn1 ZINC000527537970 330260446 /nfs/dbraw/zinc/26/04/46/330260446.db2.gz HWTVMMVIJMEZJG-WCQYABFASA-N 0 1 272.314 3.553 20 0 CHADMN Cc1cc(CN(C)Cc2cccc(Cl)c2)ccn1 ZINC000527533628 330262957 /nfs/dbraw/zinc/26/29/57/330262957.db2.gz LFASDEJVMOJRTK-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN COc1ccccc1[C@H](CO)N[C@@H](C)c1cccc(C)c1C ZINC000536871041 330265912 /nfs/dbraw/zinc/26/59/12/330265912.db2.gz OPZHMIMUEXSUSN-YJBOKZPZSA-N 0 1 299.414 3.696 20 0 CHADMN Cc1cccc(C)c1OCCNCc1ccncc1Cl ZINC000527641774 330268579 /nfs/dbraw/zinc/26/85/79/330268579.db2.gz FUGDGNRQJDSWDY-UHFFFAOYSA-N 0 1 290.794 3.520 20 0 CHADMN COc1cccc2c1CC[C@H]2NCc1ccncc1Cl ZINC000527678598 330270602 /nfs/dbraw/zinc/27/06/02/330270602.db2.gz UQRCDICKSMZNBX-OAHLLOKOSA-N 0 1 288.778 3.521 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1ccc2cc[nH]c2c1 ZINC000527707596 330275462 /nfs/dbraw/zinc/27/54/62/330275462.db2.gz FSGZYHLDOBZMFU-UHFFFAOYSA-N 0 1 283.375 3.798 20 0 CHADMN COc1cc(CNCc2occc2C)cc(C(F)(F)F)c1 ZINC000527711502 330275847 /nfs/dbraw/zinc/27/58/47/330275847.db2.gz UWXHKLYMINBCOX-UHFFFAOYSA-N 0 1 299.292 3.905 20 0 CHADMN COc1ccccc1C1(NCc2ccc3cc[nH]c3c2)CC1 ZINC000527726581 330277770 /nfs/dbraw/zinc/27/77/70/330277770.db2.gz YVACZMQRYHZEDO-UHFFFAOYSA-N 0 1 292.382 3.955 20 0 CHADMN Fc1cccc(CN[C@H](c2ccccn2)C2CCC2)c1 ZINC000527772572 330282233 /nfs/dbraw/zinc/28/22/33/330282233.db2.gz NFCXPNWNILJBER-KRWDZBQOSA-N 0 1 270.351 3.852 20 0 CHADMN Fc1cc(F)cc(CN[C@@H](c2ccccn2)C2CCC2)c1 ZINC000527775135 330282300 /nfs/dbraw/zinc/28/23/00/330282300.db2.gz YPHSUGWISJZYTB-QGZVFWFLSA-N 0 1 288.341 3.991 20 0 CHADMN Cc1cc(CN[C@H](c2cccc(C)c2)C(C)C)nn1C ZINC000527805845 330284450 /nfs/dbraw/zinc/28/44/50/330284450.db2.gz BEZDTZLORMTQFW-KRWDZBQOSA-N 0 1 271.408 3.524 20 0 CHADMN Cc1cccnc1[C@@H](NCc1cncn1C(C)C)C(C)C ZINC000424142656 330285601 /nfs/dbraw/zinc/28/56/01/330285601.db2.gz IPVAPSZUDJMBAR-INIZCTEOSA-N 0 1 286.423 3.654 20 0 CHADMN Oc1cccc(CN[C@H]2CCc3cc(F)c(Cl)cc32)c1 ZINC000527859050 330289226 /nfs/dbraw/zinc/28/92/26/330289226.db2.gz VYIUQDICMVWGAW-INIZCTEOSA-N 0 1 291.753 3.962 20 0 CHADMN COCCC1CCN([C@@H](C)c2nc(C)sc2C)CC1 ZINC000527937473 330293626 /nfs/dbraw/zinc/29/36/26/330293626.db2.gz VAGZIVCHVOFZCH-NSHDSACASA-N 0 1 282.453 3.569 20 0 CHADMN Cc1c([C@H](C)NCc2cccnc2C)cnn1C(C)(C)C ZINC000527986212 330298688 /nfs/dbraw/zinc/29/86/88/330298688.db2.gz KBMNEQXQTFIQMN-ZDUSSCGKSA-N 0 1 286.423 3.501 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@@H]2NCc1cccnc1C ZINC000527989396 330299139 /nfs/dbraw/zinc/29/91/39/330299139.db2.gz ZSPDIXXQLTVMCN-KRWDZBQOSA-N 0 1 282.387 3.702 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H](c1ccccn1)C1CCC1 ZINC000527961261 330300614 /nfs/dbraw/zinc/30/06/14/330300614.db2.gz BIDQGEDTLJUOGS-KSSFIOAISA-N 0 1 281.403 3.977 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](c2ccccn2)C2CCC2)ccn1 ZINC000527962026 330300723 /nfs/dbraw/zinc/30/07/23/330300723.db2.gz DJEHGJMJXSYLCV-FZKQIMNGSA-N 0 1 297.402 3.677 20 0 CHADMN C[C@H](NC1CC(c2ccccc2F)C1)c1ncccc1F ZINC000528034763 330302308 /nfs/dbraw/zinc/30/23/08/330302308.db2.gz BPEVKODCMJTQHW-HIFPTAJRSA-N 0 1 288.341 3.957 20 0 CHADMN [O-]c1cccc(C[NH2+][C@@H]2CCc3ccccc3C2)c1Cl ZINC000328074967 330311816 /nfs/dbraw/zinc/31/18/16/330311816.db2.gz ANTRUXBFDBXZIH-OAHLLOKOSA-N 0 1 287.790 3.693 20 0 CHADMN COc1ccc([C@H](C)N(C)C/C=C(/C)Cl)cc1 ZINC000528338500 330319430 /nfs/dbraw/zinc/31/94/30/330319430.db2.gz NEEZUJARBKBLLG-MMRAYRKESA-N 0 1 253.773 3.831 20 0 CHADMN OCc1ccc(F)c(CN2CCC[C@H]2c2cccs2)c1 ZINC000528342477 330319659 /nfs/dbraw/zinc/31/96/59/330319659.db2.gz ZURGUWYVTZFTBD-HNNXBMFYSA-N 0 1 291.391 3.717 20 0 CHADMN Fc1ccc(-c2nc(CN[C@H]3CC34CC4)cs2)cc1 ZINC000424188199 330322032 /nfs/dbraw/zinc/32/20/32/330322032.db2.gz XMPCBWMRKGUFKM-ZDUSSCGKSA-N 0 1 274.364 3.591 20 0 CHADMN COCc1cccc(CN[C@H]2C[C@]2(F)c2ccccc2)c1 ZINC000424189332 330322271 /nfs/dbraw/zinc/32/22/71/330322271.db2.gz DGUXRIDDCRKHCB-ROUUACIJSA-N 0 1 285.362 3.560 20 0 CHADMN COC(C)(C)CN(C)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000533024118 330324700 /nfs/dbraw/zinc/32/47/00/330324700.db2.gz JPWBEGWXPVRBKO-ZDUSSCGKSA-N 0 1 288.391 3.759 20 0 CHADMN COc1ccc(Cl)cc1C(C)(C)NCc1cc[nH]c1 ZINC000424196464 330325120 /nfs/dbraw/zinc/32/51/20/330325120.db2.gz GGUVSIWBQSOWFE-UHFFFAOYSA-N 0 1 278.783 3.702 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc3ccccc3c2)on1 ZINC000044299358 330327428 /nfs/dbraw/zinc/32/74/28/330327428.db2.gz JOENHWPLPUPNOD-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN C[C@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)[C@@H]1C(=O)[O-] ZINC000424269272 330333109 /nfs/dbraw/zinc/33/31/09/330333109.db2.gz MFJTTYCGXWTDJG-KSSFIOAISA-N 0 1 297.398 3.567 20 0 CHADMN Cc1ccc([C@H](C)N(C)C(=O)c2[nH]nc3ccccc32)cc1 ZINC000045247874 330342441 /nfs/dbraw/zinc/34/24/41/330342441.db2.gz AYDPSTUSNBJXCG-ZDUSSCGKSA-N 0 1 293.370 3.705 20 0 CHADMN CCc1ccc(/C=C\c2nc(C3(N)CCCCC3)no2)o1 ZINC000424339220 330343884 /nfs/dbraw/zinc/34/38/84/330343884.db2.gz CARHWPVUUPENMC-HJWRWDBZSA-N 0 1 287.363 3.514 20 0 CHADMN Cc1ccc(C[C@H](C)c2nc(C3(N)CCCCC3)no2)cc1 ZINC000424339359 330343984 /nfs/dbraw/zinc/34/39/84/330343984.db2.gz CPWACHNSGGGRSD-AWEZNQCLSA-N 0 1 299.418 3.842 20 0 CHADMN C[C@@H]1CCC[C@H](Cc2nc(C3(N)CCCCC3)no2)C1 ZINC000424340726 330344091 /nfs/dbraw/zinc/34/40/91/330344091.db2.gz HGJSKWDTMCFRNO-OLZOCXBDSA-N 0 1 277.412 3.557 20 0 CHADMN CCc1ccc(CNCc2cccc(F)c2F)s1 ZINC000107711423 330350707 /nfs/dbraw/zinc/35/07/07/330350707.db2.gz LPCKQOHYPIRXGL-UHFFFAOYSA-N 0 1 267.344 3.879 20 0 CHADMN CCCCNC(=O)[C@@H](C)N(C)Cc1cccc2ccccc21 ZINC000533240664 330354458 /nfs/dbraw/zinc/35/44/58/330354458.db2.gz FOIAQCXASUIVJE-OAHLLOKOSA-N 0 1 298.430 3.576 20 0 CHADMN C[C@H](C(=O)Nc1cccc2ccccc21)N1C2CCC1CC2 ZINC000533237547 330354499 /nfs/dbraw/zinc/35/44/99/330354499.db2.gz PBXXCMBNNPLIHN-IUDNXUCKSA-N 0 1 294.398 3.794 20 0 CHADMN CCCCN(CC(=O)Nc1ccc(C)c(C)c1)C1CC1 ZINC000533242108 330354701 /nfs/dbraw/zinc/35/47/01/330354701.db2.gz PMRPRBMJCHKCIN-UHFFFAOYSA-N 0 1 274.408 3.506 20 0 CHADMN C[C@@H](N(C)Cc1nccn1Cc1ccccc1)C(C)(C)C ZINC000533249849 330355228 /nfs/dbraw/zinc/35/52/28/330355228.db2.gz AWGZYTDFFGFAMF-OAHLLOKOSA-N 0 1 285.435 3.798 20 0 CHADMN CCCN(C)[C@H](C)c1ccccc1Br ZINC000533260785 330355791 /nfs/dbraw/zinc/35/57/91/330355791.db2.gz YNDOYXHWLJNIDQ-SNVBAGLBSA-N 0 1 256.187 3.852 20 0 CHADMN C[C@@H]1CCC[C@H](C)CN1CC(=O)Nc1ccccc1Cl ZINC000533292578 330356140 /nfs/dbraw/zinc/35/61/40/330356140.db2.gz AGTLHRXGDAFUKO-QWHCGFSZSA-N 0 1 294.826 3.789 20 0 CHADMN CCN(Cc1nc2cc(F)ccc2n1CC)C1CCC1 ZINC000533298053 330356502 /nfs/dbraw/zinc/35/65/02/330356502.db2.gz YGIISTGPHRACPR-UHFFFAOYSA-N 0 1 275.371 3.570 20 0 CHADMN Cc1nc(C2(NCCC(C)(C)C)CCCCC2)no1 ZINC000533353278 330359365 /nfs/dbraw/zinc/35/93/65/330359365.db2.gz JCLOIPSMQRRCTL-UHFFFAOYSA-N 0 1 265.401 3.563 20 0 CHADMN CC[C@H](NCc1ccn(C(C)C)n1)c1cccs1 ZINC000085161290 330364365 /nfs/dbraw/zinc/36/43/65/330364365.db2.gz DSZNRLCDDXMFIP-ZDUSSCGKSA-N 0 1 263.410 3.766 20 0 CHADMN CC[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccccc1 ZINC000055460458 330365701 /nfs/dbraw/zinc/36/57/01/330365701.db2.gz HFTWIWGGNYJDQK-AWEZNQCLSA-N 0 1 289.762 3.927 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1Cl ZINC000087761489 330374342 /nfs/dbraw/zinc/37/43/42/330374342.db2.gz PBCMTDSLLHELIG-VIFPVBQESA-N 0 1 290.190 3.679 20 0 CHADMN Cc1csc(CN2CCSC3(CCCCC3)C2)n1 ZINC000088603911 330378135 /nfs/dbraw/zinc/37/81/35/330378135.db2.gz YUJRBHUOMYXPMD-UHFFFAOYSA-N 0 1 282.478 3.703 20 0 CHADMN CSCc1cc(F)ccc1CNCc1occc1C ZINC000088751600 330378632 /nfs/dbraw/zinc/37/86/32/330378632.db2.gz VPPLJBAZWKWTPN-UHFFFAOYSA-N 0 1 279.380 3.880 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1ccncc1Cl ZINC000088781297 330378687 /nfs/dbraw/zinc/37/86/87/330378687.db2.gz SZKPVVWSOGTZHM-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1cc(Cl)cn1C ZINC000120021568 330385024 /nfs/dbraw/zinc/38/50/24/330385024.db2.gz QECKRQVDGCAZCR-GFCCVEGCSA-N 0 1 262.784 3.872 20 0 CHADMN CC(C)c1ccccc1OCCN[C@H](C)c1nccs1 ZINC000089597352 330386647 /nfs/dbraw/zinc/38/66/47/330386647.db2.gz ATVPUCISXICIKL-CYBMUJFWSA-N 0 1 290.432 3.996 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1ccc2c(c1)OCO2 ZINC000120333593 330387015 /nfs/dbraw/zinc/38/70/15/330387015.db2.gz LWVPGNYBFIOVKW-CYBMUJFWSA-N 0 1 299.370 3.665 20 0 CHADMN CC(C)NC(=O)CN[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000120404655 330388443 /nfs/dbraw/zinc/38/84/43/330388443.db2.gz NGSIBZWKPOSYQX-OAHLLOKOSA-N 0 1 296.414 3.529 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(CC)Cc1nnc(C2CC2)o1 ZINC000120506219 330388968 /nfs/dbraw/zinc/38/89/68/330388968.db2.gz ATZBLZQBKLXLOH-INIZCTEOSA-N 0 1 299.418 3.790 20 0 CHADMN C[C@@H](CC(F)(F)F)NCc1cc(Cl)cc2c1OCC2 ZINC000120521177 330389304 /nfs/dbraw/zinc/38/93/04/330389304.db2.gz WHVQHWWYTHGYMI-QMMMGPOBSA-N 0 1 293.716 3.705 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1csc(C(C)(C)C)n1 ZINC000120702743 330391708 /nfs/dbraw/zinc/39/17/08/330391708.db2.gz SMPZXGMAQGYJQK-JTQLQIEISA-N 0 1 252.427 3.671 20 0 CHADMN CC(C)c1cccc(N(C)C(=O)c2c(O)cccc2F)c1 ZINC000120848062 330392954 /nfs/dbraw/zinc/39/29/54/330392954.db2.gz BMOBNXVFAUXKAU-UHFFFAOYSA-N 0 1 287.334 3.931 20 0 CHADMN CCN(Cc1nc(C(C)(C)C)cs1)CC1CC1 ZINC000120978935 330393900 /nfs/dbraw/zinc/39/39/00/330393900.db2.gz MJVJEXDRQJRIBE-UHFFFAOYSA-N 0 1 252.427 3.673 20 0 CHADMN Oc1ccc(CNCc2ccc(-c3ccccc3)o2)cc1 ZINC000121083597 330396057 /nfs/dbraw/zinc/39/60/57/330396057.db2.gz SJBLOVMWCLLPDH-UHFFFAOYSA-N 0 1 279.339 3.942 20 0 CHADMN C[C@@H](NC(c1ccccc1)c1ccccc1)c1cnn(C)c1 ZINC000121178629 330396994 /nfs/dbraw/zinc/39/69/94/330396994.db2.gz AFYYZTPCOVUOEQ-OAHLLOKOSA-N 0 1 291.398 3.860 20 0 CHADMN CC[C@H](CSC)N(C)Cc1cn2cc(Cl)ccc2n1 ZINC000091098574 330398954 /nfs/dbraw/zinc/39/89/54/330398954.db2.gz QLZJATNIVFZDBO-CYBMUJFWSA-N 0 1 297.855 3.561 20 0 CHADMN Cc1ccc(-c2nnc([C@H](C)N3CCCCC3)o2)cc1 ZINC000060992020 330427440 /nfs/dbraw/zinc/42/74/40/330427440.db2.gz WLKBZSKNIPKAQC-ZDUSSCGKSA-N 0 1 271.364 3.592 20 0 CHADMN CC[C@@H](NCc1nc(C2CCCC2)no1)C(C)(C)C ZINC000537290203 330431118 /nfs/dbraw/zinc/43/11/18/330431118.db2.gz IXZVKARIZNBNKK-GFCCVEGCSA-N 0 1 265.401 3.642 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2cc(C(CC)CC)no2)C1(C)C ZINC000537295432 330431561 /nfs/dbraw/zinc/43/15/61/330431561.db2.gz LJIJTBNGGBEUOA-CVEARBPZSA-N 0 1 294.439 3.871 20 0 CHADMN CN(CC(C)(C)C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000514869827 330467036 /nfs/dbraw/zinc/46/70/36/330467036.db2.gz CBXOQDBNOAFWOL-UHFFFAOYSA-N 0 1 289.297 3.529 20 0 CHADMN Cc1nccc(NCc2ccccc2-n2cccn2)c1Cl ZINC000314978562 330469466 /nfs/dbraw/zinc/46/94/66/330469466.db2.gz XFYOBTKSHJJQCM-UHFFFAOYSA-N 0 1 298.777 3.841 20 0 CHADMN CN(c1nc(CN(C2CCC2)C2CCC2)cs1)C1CC1 ZINC000429184756 330539774 /nfs/dbraw/zinc/53/97/74/330539774.db2.gz UFRGACYXDXMDFA-UHFFFAOYSA-N 0 1 291.464 3.649 20 0 CHADMN Fc1cc(F)c(CNC2Cc3ccccc3C2)c(F)c1F ZINC000430746718 330572681 /nfs/dbraw/zinc/57/26/81/330572681.db2.gz IZRMBWPRFYIWIM-UHFFFAOYSA-N 0 1 295.279 3.500 20 0 CHADMN Clc1ccc(CNCc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000433327105 330626313 /nfs/dbraw/zinc/62/63/13/330626313.db2.gz NMMUREYRNNSRQR-UHFFFAOYSA-N 0 1 287.750 3.613 20 0 CHADMN CCc1ccnc(CN[C@@H](CC)c2ccccc2)c1 ZINC000435777465 330662765 /nfs/dbraw/zinc/66/27/65/330662765.db2.gz IRNXRSIYDWETPT-KRWDZBQOSA-N 0 1 254.377 3.885 20 0 CHADMN FCCN[C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000436290779 330673760 /nfs/dbraw/zinc/67/37/60/330673760.db2.gz ZQUYVDVRQDICSY-SNVBAGLBSA-N 0 1 278.154 3.766 20 0 CHADMN C[C@H](NCc1cc2c(cccc2F)[nH]1)c1cncc(F)c1 ZINC000436402951 330676633 /nfs/dbraw/zinc/67/66/33/330676633.db2.gz DDZAOPZLBLNQPP-JTQLQIEISA-N 0 1 287.313 3.692 20 0 CHADMN CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000436692305 330682951 /nfs/dbraw/zinc/68/29/51/330682951.db2.gz WPXSQZPDNFVPRI-YPMHNXCESA-N 0 1 295.810 3.990 20 0 CHADMN C[C@@H]1CCN(C(=O)c2ccc(O)c(Cl)c2)CC12CCC2 ZINC000436714694 330683184 /nfs/dbraw/zinc/68/31/84/330683184.db2.gz GPLVWMJHIJCMDZ-LLVKDONJSA-N 0 1 293.794 3.698 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H]1CCc2c1cccc2F ZINC000437075620 330692394 /nfs/dbraw/zinc/69/23/94/330692394.db2.gz JLHRKZXVQYZVJS-ZBEGNZNMSA-N 0 1 286.350 3.567 20 0 CHADMN CC[C@@H](F)CN1CCC(F)(c2ccccc2)CC1 ZINC000440506037 330749580 /nfs/dbraw/zinc/74/95/80/330749580.db2.gz PYZGFQVSJPEHRZ-CQSZACIVSA-N 0 1 253.336 3.695 20 0 CHADMN CC[C@@H](F)CN[C@H](c1ccc(F)cc1F)C(C)C ZINC000440602735 330752222 /nfs/dbraw/zinc/75/22/22/330752222.db2.gz ZHQIXPDTKJMJOI-YGRLFVJLSA-N 0 1 259.315 4.000 20 0 CHADMN CC(C)C1CCN(Cc2ccn(-c3ccccc3)n2)CC1 ZINC000441434221 330768562 /nfs/dbraw/zinc/76/85/62/330768562.db2.gz KLXYINSQLSPKJX-UHFFFAOYSA-N 0 1 283.419 3.740 20 0 CHADMN CC(C)C1CCN(CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000441445012 330768938 /nfs/dbraw/zinc/76/89/38/330768938.db2.gz VAVIPDHHUJSGPF-UHFFFAOYSA-N 0 1 294.826 3.647 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@H](C)c1cccc(O)c1 ZINC000442866797 330788545 /nfs/dbraw/zinc/78/85/45/330788545.db2.gz MROPLFAEAXFQQK-CHWSQXEVSA-N 0 1 270.376 3.761 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@H](C)c1cccc(O)c1 ZINC000442866799 330788550 /nfs/dbraw/zinc/78/85/50/330788550.db2.gz MROPLFAEAXFQQK-OLZOCXBDSA-N 0 1 270.376 3.761 20 0 CHADMN Cc1cc(C)cc(-c2noc(CN3CCC(C)CC3)n2)c1 ZINC000443208656 330796904 /nfs/dbraw/zinc/79/69/04/330796904.db2.gz CDZLPDUSUZAFDV-UHFFFAOYSA-N 0 1 285.391 3.585 20 0 CHADMN C[C@@H]1C[C@@H](CCNCc2cocn2)CC(C)(C)C1 ZINC000443998167 330808758 /nfs/dbraw/zinc/80/87/58/330808758.db2.gz SXYYAAMHUYHDEP-CHWSQXEVSA-N 0 1 250.386 3.617 20 0 CHADMN C[C@@H]1CC[C@@H](NC(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000444462875 330813369 /nfs/dbraw/zinc/81/33/69/330813369.db2.gz FKQUIKYMNOYGGP-VXNVDRBHSA-N 0 1 288.174 3.617 20 0 CHADMN CC1(C)CC[C@@H](N[C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000446924447 330857950 /nfs/dbraw/zinc/85/79/50/330857950.db2.gz GOUGHDYOPDPQTE-HUUCEWRRSA-N 0 1 287.382 3.807 20 0 CHADMN CC(C)CCC[C@H](C)NC(=O)c1sccc1CN(C)C ZINC000447431864 330866703 /nfs/dbraw/zinc/86/67/03/330866703.db2.gz QITXUYBMVAIJDC-ZDUSSCGKSA-N 0 1 296.480 3.754 20 0 CHADMN CO[C@H](CNCc1ncc(C(C)(C)C)s1)C(C)(C)C ZINC000447942622 330880789 /nfs/dbraw/zinc/88/07/89/330880789.db2.gz IFPHIPCWRKQXNJ-LLVKDONJSA-N 0 1 284.469 3.591 20 0 CHADMN CC(C)(c1nc(-c2ccn3cncc3c2)no1)C1CCCC1 ZINC000447961416 330881474 /nfs/dbraw/zinc/88/14/74/330881474.db2.gz BTJZVCRCRFINAB-UHFFFAOYSA-N 0 1 296.374 3.852 20 0 CHADMN CCC1CCN(Cc2ccnn2C2CCCC2)CC1 ZINC000449020476 330892657 /nfs/dbraw/zinc/89/26/57/330892657.db2.gz ZQEAHXBOGVMATQ-UHFFFAOYSA-N 0 1 261.413 3.620 20 0 CHADMN COc1ccc([C@H](NCc2ccncc2F)C(C)C)cc1 ZINC000449066482 330896690 /nfs/dbraw/zinc/89/66/90/330896690.db2.gz CETUMUDEXQGALJ-QGZVFWFLSA-N 0 1 288.366 3.716 20 0 CHADMN COc1cccc([C@@H](C)NCc2ccnn2C2CCCC2)c1 ZINC000449091623 330898547 /nfs/dbraw/zinc/89/85/47/330898547.db2.gz QTDGKNLCCOMKEW-CQSZACIVSA-N 0 1 299.418 3.858 20 0 CHADMN CC[C@@H](CNCc1ncc(C)s1)Oc1ccccc1C ZINC000449176462 330903751 /nfs/dbraw/zinc/90/37/51/330903751.db2.gz TVAWHITZFZEPHD-AWEZNQCLSA-N 0 1 290.432 3.707 20 0 CHADMN c1cc(CN[C@@H](c2cccnc2)C2CC2)n(C2CCCC2)n1 ZINC000449200285 330905737 /nfs/dbraw/zinc/90/57/37/330905737.db2.gz BOHJNLLVLNHIAH-GOSISDBHSA-N 0 1 296.418 3.634 20 0 CHADMN CC1(F)CC(NCc2csc(-c3ccsc3)n2)C1 ZINC000449369589 330919409 /nfs/dbraw/zinc/91/94/09/330919409.db2.gz FBCJMBIEURHJBY-UHFFFAOYSA-N 0 1 282.409 3.852 20 0 CHADMN CC1(F)CC(NCc2csc(-c3ccc(F)cc3)n2)C1 ZINC000449370733 330919498 /nfs/dbraw/zinc/91/94/98/330919498.db2.gz LYXIIWIBVAVNMH-UHFFFAOYSA-N 0 1 294.370 3.929 20 0 CHADMN FCC(CF)N[C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000449380203 330920923 /nfs/dbraw/zinc/92/09/23/330920923.db2.gz MCSQPICIGDCARP-WFASDCNBSA-N 0 1 287.781 3.948 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)C[C@@H](N[C@H](C)C(C)(F)F)CC3 ZINC000449416885 330923976 /nfs/dbraw/zinc/92/39/76/330923976.db2.gz VZWGRDLCNWGMSQ-NEPJUHHUSA-N 0 1 292.373 3.967 20 0 CHADMN C[C@H](CCc1ccc(F)cc1)N[C@H](C)C(C)(F)F ZINC000449416303 330923988 /nfs/dbraw/zinc/92/39/88/330923988.db2.gz SUXZATMMNOODSC-GHMZBOCLSA-N 0 1 259.315 3.780 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H](C)C(C)(F)F)CC3 ZINC000449416886 330924130 /nfs/dbraw/zinc/92/41/30/330924130.db2.gz VZWGRDLCNWGMSQ-NWDGAFQWSA-N 0 1 292.373 3.967 20 0 CHADMN CCCc1ncc(CNC/C=C/c2ccc(F)c(F)c2)o1 ZINC000449610594 330939564 /nfs/dbraw/zinc/93/95/64/330939564.db2.gz HDEVDIKAKUURLW-HWKANZROSA-N 0 1 292.329 3.708 20 0 CHADMN CC[C@@H](O)[C@@H](CC)NCc1csc(-c2ccsc2)n1 ZINC000449640931 330941835 /nfs/dbraw/zinc/94/18/35/330941835.db2.gz TWNPUHQQKSDBQE-CHWSQXEVSA-N 0 1 296.461 3.511 20 0 CHADMN FC(F)(F)c1cccc(C2CN(Cc3ccco3)C2)c1 ZINC000449667585 330942956 /nfs/dbraw/zinc/94/29/56/330942956.db2.gz RDOQVGWPZRLKGH-UHFFFAOYSA-N 0 1 281.277 3.898 20 0 CHADMN C[C@@H]1CCC[C@H](NCc2nc(C3CCCC3)no2)[C@@H]1C ZINC000163003743 330974494 /nfs/dbraw/zinc/97/44/94/330974494.db2.gz CMHIQDWWPPQFLZ-BZPMIXESSA-N 0 1 277.412 3.642 20 0 CHADMN CCc1ccc([C@@H](NCc2cnns2)C(C)C)cc1 ZINC000450506696 330984276 /nfs/dbraw/zinc/98/42/76/330984276.db2.gz MEDRQCKETYKDRX-HNNXBMFYSA-N 0 1 275.421 3.587 20 0 CHADMN Cc1cccc(CNC2(c3ccccc3)CCC2)n1 ZINC000450514310 330984602 /nfs/dbraw/zinc/98/46/02/330984602.db2.gz YVEBPAMVANPDJK-UHFFFAOYSA-N 0 1 252.361 3.559 20 0 CHADMN CS[C@H]1CCN(c2cc(C)nc3ccc(F)cc32)C1 ZINC000450680231 330993161 /nfs/dbraw/zinc/99/31/61/330993161.db2.gz LDMKFHVENHPFAT-LBPRGKRZSA-N 0 1 276.380 3.624 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@H]1Cc1ccccc1)c1csnn1 ZINC000450821106 331001060 /nfs/dbraw/zinc/00/10/60/331001060.db2.gz PVBWNRAPLPVSBR-AEGPPILISA-N 0 1 287.432 3.600 20 0 CHADMN CN(Cc1cc(C(C)(C)C)n[nH]1)C[C@@H]1CCCCC1(F)F ZINC000450872726 331004044 /nfs/dbraw/zinc/00/40/44/331004044.db2.gz ONNQNKBDXGCLHC-LBPRGKRZSA-N 0 1 299.409 3.965 20 0 CHADMN CC[C@H]1CCC[C@H]1C(=O)Nc1cc2cn[nH]c2cc1C ZINC000451131054 331016845 /nfs/dbraw/zinc/01/68/45/331016845.db2.gz RNARKAMFGCKOIW-WCQYABFASA-N 0 1 271.364 3.636 20 0 CHADMN CC(C)c1nnc(C[N@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)[nH]1 ZINC000451188502 331019527 /nfs/dbraw/zinc/01/95/27/331019527.db2.gz QITRLDHUCJTGAO-IIAWOOMASA-N 0 1 298.434 3.695 20 0 CHADMN CC(C)c1nnc(CN2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)[nH]1 ZINC000451188502 331019528 /nfs/dbraw/zinc/01/95/28/331019528.db2.gz QITRLDHUCJTGAO-IIAWOOMASA-N 0 1 298.434 3.695 20 0 CHADMN CCCc1nc(CN[C@H]2C[C@H](OCC)C23CCC3)cs1 ZINC000451471165 331030719 /nfs/dbraw/zinc/03/07/19/331030719.db2.gz HMYBDQRCDSTMTI-KBPBESRZSA-N 0 1 294.464 3.533 20 0 CHADMN CCO[C@@H]1CCN([C@H](C)c2ccc(F)c(F)c2)C[C@@H]1C ZINC000451521850 331032227 /nfs/dbraw/zinc/03/22/27/331032227.db2.gz AHOIQBVOYMURSY-HWWQOWPSSA-N 0 1 283.362 3.773 20 0 CHADMN CCO[C@H]1CCN(Cc2ccc(Cl)c(OC)c2)C[C@H]1C ZINC000451523121 331032514 /nfs/dbraw/zinc/03/25/14/331032514.db2.gz CKENMJCGOWRMKT-DOMZBBRYSA-N 0 1 297.826 3.596 20 0 CHADMN CCO[C@@H]1CCN([C@@H](C)c2c(F)cccc2F)C[C@H]1C ZINC000451542626 331033270 /nfs/dbraw/zinc/03/32/70/331033270.db2.gz NUFIDVLWIVAEMJ-TYNCELHUSA-N 0 1 283.362 3.773 20 0 CHADMN CCO[C@@H]1CCN([C@@H](C)c2ccc(F)cc2F)C[C@@H]1C ZINC000451542959 331033295 /nfs/dbraw/zinc/03/32/95/331033295.db2.gz OENZDLYPZYQALG-MQIPJXDCSA-N 0 1 283.362 3.773 20 0 CHADMN CO[C@@H]1CCN([C@H](C)c2cc(F)ccc2F)CC1(C)C ZINC000451546270 331033547 /nfs/dbraw/zinc/03/35/47/331033547.db2.gz BFJGIEKGLRZUPH-IAQYHMDHSA-N 0 1 283.362 3.773 20 0 CHADMN CCn1nc(CNCC2=CCCCC2)c2ccccc21 ZINC000379750723 331048104 /nfs/dbraw/zinc/04/81/04/331048104.db2.gz LJYUHKQHMAZYOS-UHFFFAOYSA-N 0 1 269.392 3.646 20 0 CHADMN C[C@H]1CCC(C)(C)N1Cc1ncc(C(C)(C)C)o1 ZINC000452005529 331050048 /nfs/dbraw/zinc/05/00/48/331050048.db2.gz JYOLPXUAMBPCBK-NSHDSACASA-N 0 1 250.386 3.735 20 0 CHADMN CCCCc1nc(CN[C@@H]2CCC[C@H]2OCC)cs1 ZINC000452027349 331050998 /nfs/dbraw/zinc/05/09/98/331050998.db2.gz WCULGAJFKPLWOX-ZIAGYGMSSA-N 0 1 282.453 3.533 20 0 CHADMN CCO[C@@H]1CCCC[C@H]1NCc1nc(C(C)(C)C)cs1 ZINC000452038473 331051307 /nfs/dbraw/zinc/05/13/07/331051307.db2.gz YCKKSYMZPDTIOR-CHWSQXEVSA-N 0 1 296.480 3.878 20 0 CHADMN Cc1cnc([C@H](C)N(C)Cc2ccc(C)c(C)c2)cn1 ZINC000452051367 331052268 /nfs/dbraw/zinc/05/22/68/331052268.db2.gz YSWJAVANBSUWBG-HNNXBMFYSA-N 0 1 269.392 3.595 20 0 CHADMN CC(C)(C)C[C@H]1CCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000452082286 331053403 /nfs/dbraw/zinc/05/34/03/331053403.db2.gz RUDHEFBFSKNZIT-GFCCVEGCSA-N 0 1 289.379 3.588 20 0 CHADMN CC(C)(C)C[C@@H]1CCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000452082289 331053562 /nfs/dbraw/zinc/05/35/62/331053562.db2.gz RUDHEFBFSKNZIT-LBPRGKRZSA-N 0 1 289.379 3.588 20 0 CHADMN CC(C)Cc1noc(CN(C(C)C)C2CC(C)(C)C2)n1 ZINC000452104297 331054495 /nfs/dbraw/zinc/05/44/95/331054495.db2.gz LQRPSUYCZOPUFN-UHFFFAOYSA-N 0 1 279.428 3.667 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@]2(C)CCC[C@@H]2C)c1 ZINC000452194308 331057951 /nfs/dbraw/zinc/05/79/51/331057951.db2.gz LFZDRPSAXLIKJE-APPDUMDISA-N 0 1 289.375 3.750 20 0 CHADMN CCCCOc1ncccc1CN[C@H](CC)c1ccncc1 ZINC000453072205 331086575 /nfs/dbraw/zinc/08/65/75/331086575.db2.gz PHSZRKLCXWEZQD-QGZVFWFLSA-N 0 1 299.418 3.896 20 0 CHADMN CC[C@H](N[C@@H](C)c1nccn1CC)c1cccs1 ZINC000453079051 331087201 /nfs/dbraw/zinc/08/72/01/331087201.db2.gz OEYKCUVEPMFUNU-RYUDHWBXSA-N 0 1 263.410 3.766 20 0 CHADMN Cc1cccc(C)c1OCCCN[C@H]1C[C@H](C)n2ccnc21 ZINC000453082974 331087451 /nfs/dbraw/zinc/08/74/51/331087451.db2.gz JDJPLBZUWNWPQQ-HOTGVXAUSA-N 0 1 299.418 3.564 20 0 CHADMN CC(C)C[C@@H](N[C@@H]1CCn2ccnc21)c1cccs1 ZINC000453095363 331088763 /nfs/dbraw/zinc/08/87/63/331088763.db2.gz UIVISFUSIXKGQL-CHWSQXEVSA-N 0 1 275.421 3.766 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccc1C(F)(F)F)c1ccncn1 ZINC000453103035 331089296 /nfs/dbraw/zinc/08/92/96/331089296.db2.gz WDPNSQPWSQPJLU-WDEREUQCSA-N 0 1 295.308 3.907 20 0 CHADMN CCCCO[C@@H]1C[C@@H](N[C@H](C)c2nccn2CC)C1(C)C ZINC000453129595 331092254 /nfs/dbraw/zinc/09/22/54/331092254.db2.gz KFFPTBOGPJBNEY-RBSFLKMASA-N 0 1 293.455 3.537 20 0 CHADMN C[C@@H](NCCOc1cccc(C(C)(C)C)c1)c1ccncn1 ZINC000453136926 331093030 /nfs/dbraw/zinc/09/30/30/331093030.db2.gz HNZHNRCSCSBNTN-CQSZACIVSA-N 0 1 299.418 3.504 20 0 CHADMN Fc1cccc([C@H](N[C@H]2CCn3ccnc32)C2CCCC2)c1 ZINC000453137695 331093128 /nfs/dbraw/zinc/09/31/28/331093128.db2.gz LAOIIVCVAXIDES-DLBZAZTESA-N 0 1 299.393 3.988 20 0 CHADMN C[C@H](N[C@H]1c2cccc(F)c2CC[C@@H]1C)c1ccncn1 ZINC000453149199 331094233 /nfs/dbraw/zinc/09/42/33/331094233.db2.gz ZUPPSTIZVDACJM-NVGCLXPQSA-N 0 1 285.366 3.590 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1ccsc1 ZINC000453147992 331094258 /nfs/dbraw/zinc/09/42/58/331094258.db2.gz QEZVXALGEQRUOQ-CABCVRRESA-N 0 1 279.380 3.662 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H]1C[C@@H](C)c2ccccc21 ZINC000453156819 331095096 /nfs/dbraw/zinc/09/50/96/331095096.db2.gz HMZBEEWWIXXTLI-WWGRRREGSA-N 0 1 269.392 3.802 20 0 CHADMN Cc1cccc(C)c1[C@H](C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000453205433 331101224 /nfs/dbraw/zinc/10/12/24/331101224.db2.gz XBCIFGWRVHFANK-ILXRZTDVSA-N 0 1 269.392 3.857 20 0 CHADMN Cn1ccnc1[C@@H](N[C@H]1CCCc2c(F)cccc21)C1CC1 ZINC000453238474 331105486 /nfs/dbraw/zinc/10/54/86/331105486.db2.gz QGWRWMKIJSRLKL-IRXDYDNUSA-N 0 1 299.393 3.678 20 0 CHADMN CCc1noc(C)c1CN[C@@H](C)c1csc(C)c1 ZINC000453245887 331106808 /nfs/dbraw/zinc/10/68/08/331106808.db2.gz UXLMBLFXKLEMPV-JTQLQIEISA-N 0 1 264.394 3.766 20 0 CHADMN COc1ccncc1CN[C@H]1CC[C@H](C)c2ccsc21 ZINC000453248864 331107293 /nfs/dbraw/zinc/10/72/93/331107293.db2.gz XOYUSECGMLLBLZ-FZMZJTMJSA-N 0 1 288.416 3.880 20 0 CHADMN CC[C@H](C)[C@@H](CN[C@H](C)c1nc2c(s1)CCCC2)OC ZINC000453266191 331109132 /nfs/dbraw/zinc/10/91/32/331109132.db2.gz KXNDRWVWGGMMQP-OUCADQQQSA-N 0 1 296.480 3.734 20 0 CHADMN CC/C=C/CN[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000453310861 331114728 /nfs/dbraw/zinc/11/47/28/331114728.db2.gz GGRPXXYKJVDTQR-MVIFTORASA-N 0 1 277.799 3.844 20 0 CHADMN Cc1cc(C)c(CN[C@H](CC(C)C)c2ccccn2)cn1 ZINC000453355720 331121486 /nfs/dbraw/zinc/12/14/86/331121486.db2.gz KLAZJFASVMRMMW-GOSISDBHSA-N 0 1 283.419 3.970 20 0 CHADMN C[C@H]1Cc2ccccc2[C@@H]1NCc1cnc(C2CC2)o1 ZINC000453355558 331121555 /nfs/dbraw/zinc/12/15/55/331121555.db2.gz MLAQXVUJJLIFNI-MEDUHNTESA-N 0 1 268.360 3.575 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cnc(C3CC3)o2)cc1 ZINC000453378491 331125362 /nfs/dbraw/zinc/12/53/62/331125362.db2.gz YKFOJLXPLVPBGV-GFCCVEGCSA-N 0 1 256.349 3.711 20 0 CHADMN CCc1ncc(CN[C@@H](c2ccc(F)cc2)C2CC2)o1 ZINC000453382241 331125864 /nfs/dbraw/zinc/12/58/64/331125864.db2.gz LVJLJBBLZDFBJU-MRXNPFEDSA-N 0 1 274.339 3.617 20 0 CHADMN CCCc1ncc(CN[C@H]2C[C@H](C)c3ccccc32)o1 ZINC000453389112 331126958 /nfs/dbraw/zinc/12/69/58/331126958.db2.gz PNTHNKBDGHUWJM-LRDDRELGSA-N 0 1 270.376 3.965 20 0 CHADMN CCc1ncc(CN[C@@H]2CC(C)(C)c3ccccc32)o1 ZINC000453392609 331127443 /nfs/dbraw/zinc/12/74/43/331127443.db2.gz RCHGSFGHNLJJAF-OAHLLOKOSA-N 0 1 270.376 3.749 20 0 CHADMN Cc1cc(Br)c(CN[C@H]2C[C@@H]2C(F)F)s1 ZINC000453593578 331135227 /nfs/dbraw/zinc/13/52/27/331135227.db2.gz JVZNACFWFYLRGN-XPUUQOCRSA-N 0 1 296.180 3.562 20 0 CHADMN CCO[C@@H]1C[C@H](Nc2ccc3cnccc3c2)C12CCC2 ZINC000453609557 331136311 /nfs/dbraw/zinc/13/63/11/331136311.db2.gz GBNFLEHVIKDKTO-DLBZAZTESA-N 0 1 282.387 3.994 20 0 CHADMN CC[C@@]1(C(C)C)C[C@H]1NCc1ncc(CSC)s1 ZINC000453608907 331136335 /nfs/dbraw/zinc/13/63/35/331136335.db2.gz IWECKCBMDVIRQW-OCCSQVGLSA-N 0 1 284.494 3.920 20 0 CHADMN Cn1cc(CN2CC3(CCCC3)[C@H]2c2ccccc2)cn1 ZINC000453613448 331136537 /nfs/dbraw/zinc/13/65/37/331136537.db2.gz MEJZQNMOXDZPKR-QGZVFWFLSA-N 0 1 281.403 3.537 20 0 CHADMN CC[C@]1(C(C)C)C[C@H]1NCc1nccn1Cc1ccccc1 ZINC000453621828 331136944 /nfs/dbraw/zinc/13/69/44/331136944.db2.gz YKUFHLIAHLIISK-IEBWSBKVSA-N 0 1 297.446 3.846 20 0 CHADMN C[C@@H]1CC[C@H](CNCc2csc(-c3cccs3)n2)O1 ZINC000453633686 331137313 /nfs/dbraw/zinc/13/73/13/331137313.db2.gz RSMLICXOSZCUIE-ZYHUDNBSSA-N 0 1 294.445 3.529 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1ccc(C)c(Cl)c1 ZINC000195450902 331173832 /nfs/dbraw/zinc/17/38/32/331173832.db2.gz PMCKCARDWLUDCX-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C2=CC[C@H](C)CC2)c1 ZINC000456077969 331184026 /nfs/dbraw/zinc/18/40/26/331184026.db2.gz ZZZCHNFWOLBMCC-NSHDSACASA-N 0 1 287.359 3.670 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccccc1C(C)(F)F ZINC000456114969 331184463 /nfs/dbraw/zinc/18/44/63/331184463.db2.gz OOHDQBMPPFLMFG-VXGBXAGGSA-N 0 1 296.361 3.610 20 0 CHADMN CC(C)N(C(=O)c1cccc2c[nH]nc21)C1CC(C)(C)C1 ZINC000457083535 331211901 /nfs/dbraw/zinc/21/19/01/331211901.db2.gz ZBVHBRQPGLUACC-UHFFFAOYSA-N 0 1 285.391 3.602 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)CCCCC(C)C)c1 ZINC000457687938 331231213 /nfs/dbraw/zinc/23/12/13/331231213.db2.gz ITOHRLOKDMZSCY-UHFFFAOYSA-N 0 1 277.364 3.750 20 0 CHADMN CC1(C)CCCC[C@H]1CC(=O)NCc1ccc2cncn2c1 ZINC000457975840 331238475 /nfs/dbraw/zinc/23/84/75/331238475.db2.gz NLQPRHAXFQRYJM-HNNXBMFYSA-N 0 1 299.418 3.557 20 0 CHADMN Cc1noc(C)c1CCN(C)Cc1ccc(Cl)s1 ZINC000164610396 331263075 /nfs/dbraw/zinc/26/30/75/331263075.db2.gz MDOOOIIEUFHBAX-UHFFFAOYSA-N 0 1 284.812 3.681 20 0 CHADMN C[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C1CC1 ZINC000459294306 331275040 /nfs/dbraw/zinc/27/50/40/331275040.db2.gz GQKXYWKUYDTBNW-UHFFFAOYSA-N 0 1 296.418 3.654 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cnc(C3CC3)nc2)cc1 ZINC000459307737 331275562 /nfs/dbraw/zinc/27/55/62/331275562.db2.gz JMUWHKUYFJBBOY-SFHVURJKSA-N 0 1 293.414 4.000 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2cnc(C3CC3)nc2)c1 ZINC000459307933 331275612 /nfs/dbraw/zinc/27/56/12/331275612.db2.gz TUXWPZJHBNBFDD-GOSISDBHSA-N 0 1 293.414 4.000 20 0 CHADMN FC1(F)CCC(C[N@H+]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000459311999 331275814 /nfs/dbraw/zinc/27/58/14/331275814.db2.gz NNEGHCRFSUHVFL-INIZCTEOSA-N 0 1 295.373 3.885 20 0 CHADMN FC1(F)CCC(CN2CCO[C@H](c3ccccc3)C2)CC1 ZINC000459311999 331275815 /nfs/dbraw/zinc/27/58/15/331275815.db2.gz NNEGHCRFSUHVFL-INIZCTEOSA-N 0 1 295.373 3.885 20 0 CHADMN c1ccc([C@@H]2C[C@H]2CN2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000459318675 331275924 /nfs/dbraw/zinc/27/59/24/331275924.db2.gz VRQOBEFZMBZMGN-SLFFLAALSA-N 0 1 293.410 3.864 20 0 CHADMN c1ccc([C@H]2CCCN2Cc2cnc(C3CC3)nc2)cc1 ZINC000459319535 331276139 /nfs/dbraw/zinc/27/61/39/331276139.db2.gz WRJOUOQIPLUCKD-QGZVFWFLSA-N 0 1 279.387 3.691 20 0 CHADMN Cc1ncsc1CN(C)Cc1ccc(C2CC2)cc1 ZINC000459341701 331276861 /nfs/dbraw/zinc/27/68/61/331276861.db2.gz QPOUMYQFDOIIRW-UHFFFAOYSA-N 0 1 272.417 3.961 20 0 CHADMN CCOc1cc(CN2CCC3(CCC3)C2)cc(Cl)c1O ZINC000459345114 331277180 /nfs/dbraw/zinc/27/71/80/331277180.db2.gz JPKHWYGOIYASBA-UHFFFAOYSA-N 0 1 295.810 3.820 20 0 CHADMN CCOc1cc(CN2CCC(C)(C)C2)cc(Cl)c1O ZINC000459357790 331277869 /nfs/dbraw/zinc/27/78/69/331277869.db2.gz WMVMGINKMSVIIU-UHFFFAOYSA-N 0 1 283.799 3.676 20 0 CHADMN Cc1csc(C2(NCCOCC3CCCC3)CCC2)n1 ZINC000459408824 331280182 /nfs/dbraw/zinc/28/01/82/331280182.db2.gz QNZHYWNBUSIJJS-UHFFFAOYSA-N 0 1 294.464 3.627 20 0 CHADMN Cc1cc(CNCC(C)(C)Cc2cccc(Cl)c2)no1 ZINC000459440658 331281450 /nfs/dbraw/zinc/28/14/50/331281450.db2.gz NYSXDOWHZKGKQA-UHFFFAOYSA-N 0 1 292.810 3.995 20 0 CHADMN Cc1cc(C[C@@H](C)[NH2+]Cc2c(F)cc(C)cc2Cl)n[nH]1 ZINC000459454436 331282225 /nfs/dbraw/zinc/28/22/25/331282225.db2.gz YIAQCEYXSGLPAH-SNVBAGLBSA-N 0 1 295.789 3.540 20 0 CHADMN CN(Cc1ccc(C2CC2)cc1)Cc1cccnc1 ZINC000459478316 331283958 /nfs/dbraw/zinc/28/39/58/331283958.db2.gz HWSOFNVKNMCJOK-UHFFFAOYSA-N 0 1 252.361 3.591 20 0 CHADMN Cc1cc(F)c(CN2CC[C@]3(C2)CCCOC3)c(Cl)c1 ZINC000459529863 331286211 /nfs/dbraw/zinc/28/62/11/331286211.db2.gz SVHCACZTBUVRQG-INIZCTEOSA-N 0 1 297.801 3.790 20 0 CHADMN Cc1cc(CNC[C@H](C)Oc2ccc(C(C)C)cc2)no1 ZINC000459554390 331287420 /nfs/dbraw/zinc/28/74/20/331287420.db2.gz CNANYYQXGKYHQC-AWEZNQCLSA-N 0 1 288.391 3.664 20 0 CHADMN C[C@@H](NCCc1cccc(Cl)c1)c1c(F)cncc1F ZINC000459551917 331287430 /nfs/dbraw/zinc/28/74/30/331287430.db2.gz UHXXHNCZFSUIQZ-SNVBAGLBSA-N 0 1 296.748 3.907 20 0 CHADMN Cc1ccc(CN2CC(C)(CC(F)(F)F)C2)cc1 ZINC000459644196 331291806 /nfs/dbraw/zinc/29/18/06/331291806.db2.gz WHAGMDMQURCWKQ-UHFFFAOYSA-N 0 1 257.299 3.769 20 0 CHADMN CSCc1cnc(CN[C@@H]2C[C@H]2CC(C)C)s1 ZINC000459656553 331292470 /nfs/dbraw/zinc/29/24/70/331292470.db2.gz KSUMJTHIROELEZ-ZYHUDNBSSA-N 0 1 270.467 3.530 20 0 CHADMN Cc1cnc(CN[C@@H]2C[C@H]2c2c(F)cccc2Cl)s1 ZINC000459669789 331293299 /nfs/dbraw/zinc/29/32/99/331293299.db2.gz SJJMKPFHYGOBIN-BXKDBHETSA-N 0 1 296.798 3.890 20 0 CHADMN CC(C)c1nnc(CN(C)[C@H]2CCC[C@H]2c2ccccc2)[nH]1 ZINC000459686888 331294410 /nfs/dbraw/zinc/29/44/10/331294410.db2.gz DVGVCAPGCBIWGS-HOTGVXAUSA-N 0 1 298.434 3.696 20 0 CHADMN Cn1cncc1CN1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459699353 331294912 /nfs/dbraw/zinc/29/49/12/331294912.db2.gz CYWFYPAHFFSNQZ-GOSISDBHSA-N 0 1 295.430 3.928 20 0 CHADMN CN(Cc1cn2cc(Cl)ccc2n1)C1CC(C)(C)C1 ZINC000459732108 331296616 /nfs/dbraw/zinc/29/66/16/331296616.db2.gz MGPJFCFNILAAOO-UHFFFAOYSA-N 0 1 277.799 3.608 20 0 CHADMN Cc1c[nH]nc1CN1CC2(CCCCC2)[C@@H]1C(C)C ZINC000459800607 331301605 /nfs/dbraw/zinc/30/16/05/331301605.db2.gz ZUSBWKVWRQZMLY-HNNXBMFYSA-N 0 1 261.413 3.509 20 0 CHADMN C[C@H](O)C[C@H]1CCCCN1Cc1ccc(Cl)cc1F ZINC000165125991 331305875 /nfs/dbraw/zinc/30/58/75/331305875.db2.gz PWVROYWDLDOTHO-SMDDNHRTSA-N 0 1 285.790 3.605 20 0 CHADMN CC(C)[C@H](O)CN[C@H](C)c1cc(Cl)sc1Cl ZINC000167775254 331308393 /nfs/dbraw/zinc/30/83/93/331308393.db2.gz PUGNOTCSPVTRRD-VXNVDRBHSA-N 0 1 282.236 3.722 20 0 CHADMN COc1ccc(OC)c(CNc2cc3c(cn2)CCCC3)c1 ZINC000461212474 331311992 /nfs/dbraw/zinc/31/19/92/331311992.db2.gz LPJCDHDROZLROT-UHFFFAOYSA-N 0 1 298.386 3.590 20 0 CHADMN CCN(Cc1ccc(C(C)C)cc1)C[C@@H](O)C(F)(F)F ZINC000461403082 331312995 /nfs/dbraw/zinc/31/29/95/331312995.db2.gz QUEZIKGCGZHMGK-CQSZACIVSA-N 0 1 289.341 3.555 20 0 CHADMN CCCN(CCC(C)(C)O)Cc1c(F)cccc1Cl ZINC000462328932 331319704 /nfs/dbraw/zinc/31/97/04/331319704.db2.gz UGRIHENWFXPRCQ-UHFFFAOYSA-N 0 1 287.806 3.852 20 0 CHADMN COc1ccc(F)cc1CN[C@H]1CCc2cc(C)ccc21 ZINC000462787805 331329018 /nfs/dbraw/zinc/32/90/18/331329018.db2.gz DKXUEOTVCOJVSI-KRWDZBQOSA-N 0 1 285.362 3.920 20 0 CHADMN CCC[C@H](CCc1ccccc1)Nc1ncnc2[nH]cnc21 ZINC000462874998 331333539 /nfs/dbraw/zinc/33/35/39/331333539.db2.gz PXGJOWIYKAAGCM-CQSZACIVSA-N 0 1 295.390 3.566 20 0 CHADMN COc1ccc(F)cc1CN1CCS[C@H]2CCCC[C@@H]21 ZINC000462938285 331335453 /nfs/dbraw/zinc/33/54/53/331335453.db2.gz BLHSNVDCISWQTB-HOCLYGCPSA-N 0 1 295.423 3.694 20 0 CHADMN CCN(CC(C)(C)C)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000463015471 331337149 /nfs/dbraw/zinc/33/71/49/331337149.db2.gz VMPSXBZBONPEOK-UHFFFAOYSA-N 0 1 291.420 3.646 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1Cc1cncc(C(F)(F)F)c1 ZINC000463105556 331340418 /nfs/dbraw/zinc/34/04/18/331340418.db2.gz NTOCNLOBRDMAAV-GXFFZTMASA-N 0 1 272.314 3.721 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](c2ccccc2)[C@@H]1C)c1ccon1 ZINC000464072537 331356147 /nfs/dbraw/zinc/35/61/47/331356147.db2.gz JFHCTFXDALSKMC-LMRQPLJMSA-N 0 1 256.349 3.517 20 0 CHADMN O=C(NCCC1=CCCCCC1)c1n[nH]c2ccccc21 ZINC000464221282 331358158 /nfs/dbraw/zinc/35/81/58/331358158.db2.gz AGFWAHFWBSXIAO-UHFFFAOYSA-N 0 1 283.375 3.573 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1nnc(-c2ccccc2)s1 ZINC000464504073 331361694 /nfs/dbraw/zinc/36/16/94/331361694.db2.gz ZKFYBWKCMFLGDS-OCCSQVGLSA-N 0 1 287.432 3.968 20 0 CHADMN CC[C@]1(C)CCN(Cc2nnc(-c3ccccc3)s2)C1 ZINC000464677814 331364561 /nfs/dbraw/zinc/36/45/61/331364561.db2.gz BQJFNYJLNQYTOX-MRXNPFEDSA-N 0 1 287.432 3.827 20 0 CHADMN CC[C@]1(C)CCCN(Cc2nc3ccccc3o2)C1 ZINC000464768424 331366848 /nfs/dbraw/zinc/36/68/48/331366848.db2.gz AKWLJDRHISNGPG-MRXNPFEDSA-N 0 1 258.365 3.840 20 0 CHADMN CC[C@@]1(C)CCCN(CC(=O)Nc2cc(C)ccc2C)C1 ZINC000464777734 331367623 /nfs/dbraw/zinc/36/76/23/331367623.db2.gz PBQGLTJBKZUKNA-SFHVURJKSA-N 0 1 288.435 3.754 20 0 CHADMN CCc1ccc(-c2noc(CN3C[C@@H](C)CC[C@H]3C)n2)cc1 ZINC000464812650 331369304 /nfs/dbraw/zinc/36/93/04/331369304.db2.gz FWPQWZJDUDBTTK-UONOGXRCSA-N 0 1 299.418 3.919 20 0 CHADMN Cc1sc(NC(=O)CN2C[C@H](C)CC[C@@H]2C)c(C)c1C ZINC000464828321 331370083 /nfs/dbraw/zinc/37/00/83/331370083.db2.gz MDEHXDCFTSGZAZ-MNOVXSKESA-N 0 1 294.464 3.732 20 0 CHADMN C[C@@H]1CN(Cc2csc(Cc3ccccc3)n2)C[C@H]1C ZINC000464838532 331370511 /nfs/dbraw/zinc/37/05/11/331370511.db2.gz NPCRDDXZZGVORV-ZIAGYGMSSA-N 0 1 286.444 3.822 20 0 CHADMN CCC[C@@]1(C)CCCN(CC(=O)Nc2cccc(F)c2)C1 ZINC000464846443 331370914 /nfs/dbraw/zinc/37/09/14/331370914.db2.gz JJHVZSONVDHJCJ-KRWDZBQOSA-N 0 1 292.398 3.666 20 0 CHADMN Cc1ccc2nc(CNC(=O)C[C@@H]3CCC[C@H](C)C3)[nH]c2c1 ZINC000465201643 331380394 /nfs/dbraw/zinc/38/03/94/331380394.db2.gz YNEMXJZKGDLQNJ-GXTWGEPZSA-N 0 1 299.418 3.704 20 0 CHADMN CO[C@]1(C)C[C@H](N[C@H](C)c2c(F)cccc2F)C1(C)C ZINC000465414340 331382825 /nfs/dbraw/zinc/38/28/25/331382825.db2.gz SRSLGPQQQFDVFO-AKWBHNSASA-N 0 1 283.362 3.819 20 0 CHADMN CCC[C@H]1CCCN([C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000466487656 331398375 /nfs/dbraw/zinc/39/83/75/331398375.db2.gz CRMLDAAXNZDGKD-OLZOCXBDSA-N 0 1 279.428 3.940 20 0 CHADMN CCC[C@@H](C)N(C)C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000468955573 331443092 /nfs/dbraw/zinc/44/30/92/331443092.db2.gz KJBHPWNXABPVIY-WBVHZDCISA-N 0 1 290.451 3.717 20 0 CHADMN OCC[C@H](NC/C=C\c1ccc(Cl)cc1)c1ccco1 ZINC000469551684 331454012 /nfs/dbraw/zinc/45/40/12/331454012.db2.gz JWDATJTUKKFRTQ-BGGTVIOKSA-N 0 1 291.778 3.660 20 0 CHADMN CCc1cccc(CN[C@H](COC)c2ccc(F)cc2)c1 ZINC000469793064 331459805 /nfs/dbraw/zinc/45/98/05/331459805.db2.gz YNHLEPUPPUOBMH-GOSISDBHSA-N 0 1 287.378 3.865 20 0 CHADMN C[C@H](NC[C@H](O)CC1CCCC1)c1c(F)cccc1F ZINC000475312181 331624118 /nfs/dbraw/zinc/62/41/18/331624118.db2.gz KMTIBYAPNMKLSH-WCQYABFASA-N 0 1 283.362 3.557 20 0 CHADMN CC[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N(C)C ZINC000479631149 331741404 /nfs/dbraw/zinc/74/14/04/331741404.db2.gz CYNVWDLEDOJINO-QGZVFWFLSA-N 0 1 298.386 3.758 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CCCCCC1 ZINC000479855393 331748777 /nfs/dbraw/zinc/74/87/77/331748777.db2.gz YTYSKNHPDJPRAK-UHFFFAOYSA-N 0 1 274.339 3.763 20 0 CHADMN CC(C)=CCNCc1c(Cl)cccc1N1CCCC1 ZINC000480282423 331766154 /nfs/dbraw/zinc/76/61/54/331766154.db2.gz LLGBKXLBWFTNFT-UHFFFAOYSA-N 0 1 278.827 3.996 20 0 CHADMN Clc1ccc(OCC2CC2)c(CN2CCCC2)c1 ZINC000482622439 331840470 /nfs/dbraw/zinc/84/04/70/331840470.db2.gz WVBJALRNMOBUEY-UHFFFAOYSA-N 0 1 265.784 3.725 20 0 CHADMN C[C@@H](Cc1nc(=O)c2sccc2[nH]1)c1ccccc1 ZINC000484903420 331906941 /nfs/dbraw/zinc/90/69/41/331906941.db2.gz GCCCYJKNVHUGCM-JTQLQIEISA-N 0 1 270.357 3.743 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CC(C)=C[C@@H](C)C1 ZINC000485433551 331914071 /nfs/dbraw/zinc/91/40/71/331914071.db2.gz QEYMCOYHGVQUJH-LLVKDONJSA-N 0 1 286.350 3.785 20 0 CHADMN CCc1ccc([C@@H](NCc2cc(C)n(C)n2)C(C)C)cc1 ZINC000487362411 331967698 /nfs/dbraw/zinc/96/76/98/331967698.db2.gz FNIBWRFFRVMWAT-SFHVURJKSA-N 0 1 285.435 3.778 20 0 CHADMN CCc1nc(CN[C@@H]2CS[C@@H](C(C)(C)C)C2)cs1 ZINC000488410032 332004922 /nfs/dbraw/zinc/00/49/22/332004922.db2.gz HQCVMYQKFRGRBE-CMPLNLGQSA-N 0 1 284.494 3.715 20 0 CHADMN Cc1cc(NCC2CC(F)(F)C2)c2cc(F)ccc2n1 ZINC000488434628 332007895 /nfs/dbraw/zinc/00/78/95/332007895.db2.gz QGXNEDXSYAKMAL-UHFFFAOYSA-N 0 1 280.293 3.561 20 0 CHADMN Cc1cccc([C@@H](C)C(=O)Nc2nc3ccc(F)cc3[nH]2)c1 ZINC000488929706 332034291 /nfs/dbraw/zinc/03/42/91/332034291.db2.gz HKBQBUVXCPERGE-LLVKDONJSA-N 0 1 297.333 3.753 20 0 CHADMN CSC[C@H]1CCCN(c2ccnc(C)c2Cl)C1 ZINC000488957834 332035422 /nfs/dbraw/zinc/03/54/22/332035422.db2.gz VNUPODNPGKZWLI-NSHDSACASA-N 0 1 270.829 3.623 20 0 CHADMN CCC(CC)[C@H](C)C(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000489197638 332043190 /nfs/dbraw/zinc/04/31/90/332043190.db2.gz XDFFSQKASWTECE-SRVKXCTJSA-N 0 1 294.443 3.568 20 0 CHADMN CN(Cc1csc(Br)c1)[C@@H]1CC1(C)C ZINC000489439418 332052789 /nfs/dbraw/zinc/05/27/89/332052789.db2.gz IGRLDENIXCPYAJ-SECBINFHSA-N 0 1 274.227 3.741 20 0 CHADMN Cc1cccc(Cl)c1CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000489985839 332075688 /nfs/dbraw/zinc/07/56/88/332075688.db2.gz ATCPKCUVGULIRH-UHFFFAOYSA-N 0 1 299.761 3.706 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)N(Cc3cscn3)C2)cc1 ZINC000490047407 332078760 /nfs/dbraw/zinc/07/87/60/332078760.db2.gz QXTMNHZXOBYYLD-DZGCQCFKSA-N 0 1 272.417 3.830 20 0 CHADMN CN(Cc1csc(C2CC2)n1)C1(C)CCCC1 ZINC000490119010 332082144 /nfs/dbraw/zinc/08/21/44/332082144.db2.gz JWNHDFPHIRDHQH-UHFFFAOYSA-N 0 1 250.411 3.785 20 0 CHADMN CCS[C@H](C)c1noc(CN(C)C2(C)CCCC2)n1 ZINC000490213864 332084760 /nfs/dbraw/zinc/08/47/60/332084760.db2.gz ARJAUXNNPWGDJG-LLVKDONJSA-N 0 1 283.441 3.648 20 0 CHADMN Cc1ccc(F)cc1CN1CCOC2(CCCCC2)C1 ZINC000490548972 332091077 /nfs/dbraw/zinc/09/10/77/332091077.db2.gz UMZLJPUMCXKWHM-UHFFFAOYSA-N 0 1 277.383 3.669 20 0 CHADMN CCCCCN1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000491112258 332150837 /nfs/dbraw/zinc/15/08/37/332150837.db2.gz YDKFCPLQYXVLPM-MRXNPFEDSA-N 0 1 265.372 3.698 20 0 CHADMN CCc1ccc(CN(C)Cc2cccc(O)c2OC)cc1 ZINC000491130033 332154649 /nfs/dbraw/zinc/15/46/49/332154649.db2.gz BAQAMLOQZKDNKL-UHFFFAOYSA-N 0 1 285.387 3.595 20 0 CHADMN Fc1cccc(Cl)c1CN1CC[C@@H](C2CC2)C1 ZINC000491198256 332163950 /nfs/dbraw/zinc/16/39/50/332163950.db2.gz ZZZDQCMCSOTXSC-LLVKDONJSA-N 0 1 253.748 3.711 20 0 CHADMN CCc1ccc(-c2noc(CN3CC[C@@H](C4CC4)C3)n2)cc1 ZINC000491196312 332164036 /nfs/dbraw/zinc/16/40/36/332164036.db2.gz QGRIGLJYPJTORL-MRXNPFEDSA-N 0 1 297.402 3.531 20 0 CHADMN OC[C@H](NCc1ccc2c(c1)CCCC2)c1cccc(F)c1 ZINC000491213901 332167483 /nfs/dbraw/zinc/16/74/83/332167483.db2.gz QIWHSDZHIYYFMX-IBGZPJMESA-N 0 1 299.389 3.528 20 0 CHADMN Clc1ccc(CNCc2ccc3c(c2)CCCC3)nc1 ZINC000491258163 332175790 /nfs/dbraw/zinc/17/57/90/332175790.db2.gz IDMAPFQUQUSCIM-UHFFFAOYSA-N 0 1 286.806 3.904 20 0 CHADMN CCc1ccc([C@H](NCCO)c2ccccc2Cl)cc1 ZINC000491367227 332197944 /nfs/dbraw/zinc/19/79/44/332197944.db2.gz LTLZPPFALLCEOH-KRWDZBQOSA-N 0 1 289.806 3.574 20 0 CHADMN C[C@@H]1CCN(c2ccnc3cc(F)ccc32)CC1(F)F ZINC000491612475 332242564 /nfs/dbraw/zinc/24/25/64/332242564.db2.gz JRDKSUBQEYTAFQ-SNVBAGLBSA-N 0 1 280.293 3.855 20 0 CHADMN O=C(C=CC1CCCCC1)Nc1cccc(-c2nnc[nH]2)c1 ZINC000491859415 332372594 /nfs/dbraw/zinc/37/25/94/332372594.db2.gz MWAOAZXTSNGWIV-KTKRTIGZSA-N 0 1 296.374 3.547 20 0 CHADMN CC[C@H](C)[C@@H](NC(=O)C=CC1CC1)c1nc2ccccc2[nH]1 ZINC000491916321 332375116 /nfs/dbraw/zinc/37/51/16/332375116.db2.gz VIPMUWHESQPGBC-QZXNXJAKSA-N 0 1 297.402 3.733 20 0 CHADMN CC(C)C[C@@H](NC(=O)/C=C\C1CC1)c1nc2ccccc2[nH]1 ZINC000491945647 332376488 /nfs/dbraw/zinc/37/64/88/332376488.db2.gz OWLAWDMABMUYHE-ZBTGYSDGSA-N 0 1 297.402 3.733 20 0 CHADMN O=C(/C=C/SCc1ccco1)Nc1ccc2nc[nH]c2c1 ZINC000492058207 332380981 /nfs/dbraw/zinc/38/09/81/332380981.db2.gz ONMUJOZZQUCDAP-FNORWQNLSA-N 0 1 299.355 3.542 20 0 CHADMN C[C@H]1CCCN(Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000492206014 332387055 /nfs/dbraw/zinc/38/70/55/332387055.db2.gz FXMVFWVSAPUNMI-NSHDSACASA-N 0 1 292.329 3.852 20 0 CHADMN CCCc1nc(C)c(CNC/C=C\c2ccccc2)o1 ZINC000492314193 332391882 /nfs/dbraw/zinc/39/18/82/332391882.db2.gz RTRGTFIZDDPTSQ-XFFZJAGNSA-N 0 1 270.376 3.739 20 0 CHADMN C/C=C/C=C\C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000492320023 332392330 /nfs/dbraw/zinc/39/23/30/332392330.db2.gz NMOLLWBMOZXZMG-IGTFLHFFSA-N 0 1 284.403 3.729 20 0 CHADMN C/C=C/C=C\C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000492320023 332392331 /nfs/dbraw/zinc/39/23/31/332392331.db2.gz NMOLLWBMOZXZMG-IGTFLHFFSA-N 0 1 284.403 3.729 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1cncc(F)c1 ZINC000494546684 332477653 /nfs/dbraw/zinc/47/76/53/332477653.db2.gz IMYAFNQRVILVBS-HNNXBMFYSA-N 0 1 288.366 3.925 20 0 CHADMN CCCOc1ccc([C@H](C)NCc2cncc(F)c2)cc1 ZINC000494551239 332477932 /nfs/dbraw/zinc/47/79/32/332477932.db2.gz XYDRPHQOHYDEOV-ZDUSSCGKSA-N 0 1 288.366 3.860 20 0 CHADMN CC(C)OC[C@H](C)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000500385189 332606116 /nfs/dbraw/zinc/60/61/16/332606116.db2.gz QTVCLNXUNFMCLZ-LBPRGKRZSA-N 0 1 284.831 3.627 20 0 CHADMN CCCC[C@H](CC)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000501380041 332631202 /nfs/dbraw/zinc/63/12/02/332631202.db2.gz ZDWMVJZYLJVSKR-ZFWWWQNUSA-N 0 1 296.480 3.683 20 0 CHADMN CC(C)OC[C@H](C)N[C@@H](C)c1c(F)cccc1Cl ZINC000501446057 332632389 /nfs/dbraw/zinc/63/23/89/332632389.db2.gz AJFJPBNBPCSOIV-QWRGUYRKSA-N 0 1 273.779 3.943 20 0 CHADMN CCc1cc(OC)ccc1CNCc1cc(F)ccc1F ZINC000501480497 332634433 /nfs/dbraw/zinc/63/44/33/332634433.db2.gz OUJZJRWRMLBHBW-UHFFFAOYSA-N 0 1 291.341 3.826 20 0 CHADMN Cc1nccc(N[C@@H](C)c2cccc(F)c2F)c1Cl ZINC000501985694 332644534 /nfs/dbraw/zinc/64/45/34/332644534.db2.gz DFMRRCUXKVYUHC-QMMMGPOBSA-N 0 1 282.721 3.917 20 0 CHADMN CC[C@@H]1C[C@@]1(NCc1cccnc1OC)c1cccc(C)c1 ZINC000502590903 332666839 /nfs/dbraw/zinc/66/68/39/332666839.db2.gz IMUJCXYMPLHNLP-APWZRJJASA-N 0 1 296.414 3.814 20 0 CHADMN Cn1c2cc(Cl)ccc2nc1CN1CCCCCC1 ZINC000505439045 332740380 /nfs/dbraw/zinc/74/03/80/332740380.db2.gz UHQFCULTXLRWKC-UHFFFAOYSA-N 0 1 277.799 3.603 20 0 CHADMN CCN(CC)[C@H](C(=O)N[C@H](C)CC(C)C)c1ccccc1 ZINC000505865782 332755665 /nfs/dbraw/zinc/75/56/65/332755665.db2.gz GTEXAHWSGKQJJE-WBVHZDCISA-N 0 1 290.451 3.620 20 0 CHADMN C[C@@H](NC/C=C/c1ccc(F)c(F)c1)c1ccncc1F ZINC000512399572 332966778 /nfs/dbraw/zinc/96/67/78/332966778.db2.gz LNFUONRVUUUHKG-KXMPLOMGSA-N 0 1 292.304 3.863 20 0 CHADMN Cc1ccc(-c2noc([C@@H](C)NCC(C)(C)C)n2)cc1F ZINC000513188540 333007561 /nfs/dbraw/zinc/00/75/61/333007561.db2.gz PRFGGBLRHKLKBA-LLVKDONJSA-N 0 1 291.370 3.881 20 0 CHADMN Clc1cnccc1CNC1(c2ccccc2)CCC1 ZINC000174814024 333007982 /nfs/dbraw/zinc/00/79/82/333007982.db2.gz FDXQFPKZRGUYKD-UHFFFAOYSA-N 0 1 272.779 3.904 20 0 CHADMN CC[C@@H]1[C@H](C)CCN1Cc1ccc(Br)o1 ZINC000306933533 333011238 /nfs/dbraw/zinc/01/12/38/333011238.db2.gz FZGRULRTTXMHLZ-MWLCHTKSSA-N 0 1 272.186 3.663 20 0 CHADMN C[C@H](O)[C@@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000513285963 333012403 /nfs/dbraw/zinc/01/24/03/333012403.db2.gz HASPIPNLPMQRTF-HZMBPMFUSA-N 0 1 288.218 3.729 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@H](C)C1 ZINC000175061295 333013806 /nfs/dbraw/zinc/01/38/06/333013806.db2.gz FORKQLYMBRCPFV-RYUDHWBXSA-N 0 1 250.386 3.765 20 0 CHADMN CC(C)C[C@H]1CCN(CC(=O)c2c[nH]c3ccccc23)C1 ZINC000307778066 333016603 /nfs/dbraw/zinc/01/66/03/333016603.db2.gz IPEPPLOMNKPMDD-CQSZACIVSA-N 0 1 284.403 3.719 20 0 CHADMN CC(C)(C)C[C@H]1CCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000307779887 333016656 /nfs/dbraw/zinc/01/66/56/333016656.db2.gz SJFQUPWVCTVEDQ-LLVKDONJSA-N 0 1 295.810 3.944 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CCC(C)(C)C1 ZINC000175281724 333019403 /nfs/dbraw/zinc/01/94/03/333019403.db2.gz HMCDPCINAFNFSV-LLVKDONJSA-N 0 1 250.386 3.765 20 0 CHADMN CCCCCN(C(=O)c1cc(CC)[nH]n1)[C@H](C)CCC ZINC000513453013 333020544 /nfs/dbraw/zinc/02/05/44/333020544.db2.gz YDVNLAUUDBZZRS-CYBMUJFWSA-N 0 1 279.428 3.793 20 0 CHADMN CCCCCN(C(=O)c1cc(C)[nH]n1)[C@H](C)CCC ZINC000513461502 333021265 /nfs/dbraw/zinc/02/12/65/333021265.db2.gz YMMXEGRCNIUDEH-CYBMUJFWSA-N 0 1 265.401 3.539 20 0 CHADMN COc1cccc([C@H](C)N(C)Cc2ccccc2OC)c1 ZINC000175523722 333026185 /nfs/dbraw/zinc/02/61/85/333026185.db2.gz PKIPKVLZQWELOW-AWEZNQCLSA-N 0 1 285.387 3.897 20 0 CHADMN CO[C@@H]1C[C@H](N[C@@H](C)c2c(F)cccc2F)C12CCC2 ZINC000308349662 333027967 /nfs/dbraw/zinc/02/79/67/333027967.db2.gz CBJXJYIKIXQTFI-LEWSCRJBSA-N 0 1 281.346 3.573 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000513660875 333030091 /nfs/dbraw/zinc/03/00/91/333030091.db2.gz LBDOSJQHMHITDP-QWHCGFSZSA-N 0 1 284.359 3.531 20 0 CHADMN COc1ccsc1CN1CCc2ccccc2[C@@H]1C ZINC000513673677 333031506 /nfs/dbraw/zinc/03/15/06/333031506.db2.gz VQQRCLKFSYKFCP-LBPRGKRZSA-N 0 1 273.401 3.876 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2CCC[C@@H]2C2CC2)no1 ZINC000575805048 335117130 /nfs/dbraw/zinc/11/71/30/335117130.db2.gz FLQXDOJCEGFIES-HZPDHXFCSA-N 0 1 297.402 3.713 20 0 CHADMN COc1cc(C[N@H+]2CCCc3ccccc3C2)cc(OC)c1 ZINC000513733119 333036358 /nfs/dbraw/zinc/03/63/58/333036358.db2.gz NSNDLBBUVBPHHB-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN Cc1nc(C[N@H+]2CCCc3ccccc3C2)sc1C ZINC000176363001 333041348 /nfs/dbraw/zinc/04/13/48/333041348.db2.gz RKMOPYZUCJBBOV-UHFFFAOYSA-N 0 1 272.417 3.708 20 0 CHADMN Cc1nc(CN2CCCc3ccccc3C2)sc1C ZINC000176363001 333041349 /nfs/dbraw/zinc/04/13/49/333041349.db2.gz RKMOPYZUCJBBOV-UHFFFAOYSA-N 0 1 272.417 3.708 20 0 CHADMN CC(C)CC[N@@H+](Cc1ncnn1C(C)(C)C)C1CCCC1 ZINC000513897199 333048047 /nfs/dbraw/zinc/04/80/47/333048047.db2.gz MHJXILSPLXCIRP-UHFFFAOYSA-N 0 1 292.471 3.824 20 0 CHADMN CC(C)CCN(Cc1ncnn1C(C)(C)C)C1CCCC1 ZINC000513897199 333048048 /nfs/dbraw/zinc/04/80/48/333048048.db2.gz MHJXILSPLXCIRP-UHFFFAOYSA-N 0 1 292.471 3.824 20 0 CHADMN CO[C@@H](CN(C)CCC(F)(F)F)c1ccc(Cl)cc1 ZINC000513901812 333049259 /nfs/dbraw/zinc/04/92/59/333049259.db2.gz AWFAJAYVTNPLCY-LBPRGKRZSA-N 0 1 295.732 3.912 20 0 CHADMN COC(=O)c1ccc(CN(C)[C@H](C)c2ccccc2)s1 ZINC000176953672 333051181 /nfs/dbraw/zinc/05/11/81/333051181.db2.gz BIIHCQXYNCREIU-GFCCVEGCSA-N 0 1 289.400 3.728 20 0 CHADMN C[C@@H]1c2cccn2CCN1C[C@@H]1CCCC(F)(F)C1 ZINC000513964815 333055672 /nfs/dbraw/zinc/05/56/72/333055672.db2.gz OSGHJEPABJJJBU-CHWSQXEVSA-N 0 1 268.351 3.690 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C(C)C)cc2)nc1 ZINC000513964441 333055704 /nfs/dbraw/zinc/05/57/04/333055704.db2.gz IKNFOXFGQUEDQL-UHFFFAOYSA-N 0 1 284.403 3.846 20 0 CHADMN C[C@@H]1c2cccn2CCN1C[C@H]1CCCC(F)(F)C1 ZINC000513964816 333055828 /nfs/dbraw/zinc/05/58/28/333055828.db2.gz OSGHJEPABJJJBU-OLZOCXBDSA-N 0 1 268.351 3.690 20 0 CHADMN CN(C/C=C/c1ccccc1)C[C@@H]1OCCc2ccccc21 ZINC000514000505 333058769 /nfs/dbraw/zinc/05/87/69/333058769.db2.gz YILPWODVFDEMIH-OSICKASQSA-N 0 1 293.410 3.946 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@@H]1C)c1nc(Cc2ccccc2)no1 ZINC000178637945 333076209 /nfs/dbraw/zinc/07/62/09/333076209.db2.gz MHIXTBGFVYMGDU-OFQRWUPVSA-N 0 1 299.418 3.890 20 0 CHADMN CCCCc1noc([C@H](C)N[C@@H]2CCCC[C@@H]2C)n1 ZINC000178638295 333076218 /nfs/dbraw/zinc/07/62/18/333076218.db2.gz FYKURJYTCRGEJN-RWMBFGLXSA-N 0 1 265.401 3.642 20 0 CHADMN Cc1ccc(-c2noc(-c3ccc(Cl)cc3O)n2)o1 ZINC000575825836 335119750 /nfs/dbraw/zinc/11/97/50/335119750.db2.gz NLMDHZJABYBFKV-UHFFFAOYSA-N 0 1 276.679 3.664 20 0 CHADMN O=C(CCCC(F)(F)F)Nc1cc(Cl)c(O)cc1F ZINC000516799131 333082722 /nfs/dbraw/zinc/08/27/22/333082722.db2.gz KMEPYMPRWFTDFU-UHFFFAOYSA-N 0 1 299.651 3.856 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc3c2OCO3)cc1F ZINC000088255019 333087403 /nfs/dbraw/zinc/08/74/03/333087403.db2.gz HBZRPYRINAEISK-LBPRGKRZSA-N 0 1 287.334 3.714 20 0 CHADMN CCCCN(C(=O)c1cc(C)cc2c[nH]nc21)[C@@H](C)CC ZINC000517688655 333105885 /nfs/dbraw/zinc/10/58/85/333105885.db2.gz UMJOJEKXNUCLJH-ZDUSSCGKSA-N 0 1 287.407 3.912 20 0 CHADMN CCCC[C@@H](CC)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000520997845 333109506 /nfs/dbraw/zinc/10/95/06/333109506.db2.gz IBIYOAZWCUCXJS-LLVKDONJSA-N 0 1 259.353 3.718 20 0 CHADMN CCN(Cc1c(C)noc1C)Cc1ccc(C)cc1 ZINC000521221677 333115690 /nfs/dbraw/zinc/11/56/90/333115690.db2.gz RMEGDXIUKAVKML-UHFFFAOYSA-N 0 1 258.365 3.622 20 0 CHADMN OCc1ccc(C[N@H+](Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000182792783 333117641 /nfs/dbraw/zinc/11/76/41/333117641.db2.gz USMRUJODMOZVEK-UHFFFAOYSA-N 0 1 299.389 3.730 20 0 CHADMN CCCn1cc(CNCc2c(C)oc3ccccc32)cn1 ZINC000183920207 333123699 /nfs/dbraw/zinc/12/36/99/333123699.db2.gz PRVNPRNAKIZUHV-UHFFFAOYSA-N 0 1 283.375 3.638 20 0 CHADMN CCN(Cc1cccs1)Cc1cc(OC)ccc1OC ZINC000184232949 333125888 /nfs/dbraw/zinc/12/58/88/333125888.db2.gz AAHXUGXDHHNTMO-UHFFFAOYSA-N 0 1 291.416 3.787 20 0 CHADMN C[C@H]1CCCN1Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000184590918 333130167 /nfs/dbraw/zinc/13/01/67/333130167.db2.gz WTHATOJACRSGAE-LBPRGKRZSA-N 0 1 275.783 3.510 20 0 CHADMN Cc1cc(Cl)ccc1Cc1nc(=O)c2sccc2[nH]1 ZINC000184612745 333130561 /nfs/dbraw/zinc/13/05/61/333130561.db2.gz VEYNIYFUVOLAGV-UHFFFAOYSA-N 0 1 290.775 3.537 20 0 CHADMN Cn1c2ccccc2nc1C(C)(C)NCc1ccccc1 ZINC000185639269 333145603 /nfs/dbraw/zinc/14/56/03/333145603.db2.gz WLQTZTQRPPVREO-UHFFFAOYSA-N 0 1 279.387 3.598 20 0 CHADMN CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000186317959 333158461 /nfs/dbraw/zinc/15/84/61/333158461.db2.gz PUMHPEGPDDEXIX-UONOGXRCSA-N 0 1 297.512 3.893 20 0 CHADMN CCC(CC)[C@H](O)CN[C@H](C)c1csc(C(C)C)n1 ZINC000186333414 333158725 /nfs/dbraw/zinc/15/87/25/333158725.db2.gz STSHOVUOSGMCIU-BXUZGUMPSA-N 0 1 284.469 3.714 20 0 CHADMN CC[C@H](CN(CC)Cc1nccn1CC)c1ccccc1 ZINC000186611891 333163623 /nfs/dbraw/zinc/16/36/23/333163623.db2.gz NBWNJKGCDKMNRU-MRXNPFEDSA-N 0 1 285.435 3.919 20 0 CHADMN CC(C)CC[C@H](C)NCc1cc(COC(C)(C)C)on1 ZINC000186807859 333165293 /nfs/dbraw/zinc/16/52/93/333165293.db2.gz LDOFVFHNBSSVHP-ZDUSSCGKSA-N 0 1 282.428 3.904 20 0 CHADMN CCCc1cccc(CNCc2cn3c(cccc3C)n2)c1 ZINC000187228712 333168803 /nfs/dbraw/zinc/16/88/03/333168803.db2.gz HEJPNFJOIHQXKZ-UHFFFAOYSA-N 0 1 293.414 3.885 20 0 CHADMN C[C@H](C(=O)OC(C)(C)C)N(CC1CCCCC1)C1CC1 ZINC000521515864 333175115 /nfs/dbraw/zinc/17/51/15/333175115.db2.gz JXVXEQYXAUVQNC-CYBMUJFWSA-N 0 1 281.440 3.761 20 0 CHADMN FC(F)COCC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000189078095 333180221 /nfs/dbraw/zinc/18/02/21/333180221.db2.gz RSXKHXLKNIHCAQ-OAHLLOKOSA-N 0 1 283.362 3.538 20 0 CHADMN CCCC[C@H](C)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000521680931 333183903 /nfs/dbraw/zinc/18/39/03/333183903.db2.gz JBXFWYRWXKRHDV-JTQLQIEISA-N 0 1 270.336 3.907 20 0 CHADMN CCc1nc(CNC/C(C)=C\c2ccccc2)cs1 ZINC000521691231 333184054 /nfs/dbraw/zinc/18/40/54/333184054.db2.gz VIXHOLQSEGRIEA-LCYFTJDESA-N 0 1 272.417 3.899 20 0 CHADMN COc1ccc(F)cc1CNCc1cccc2[nH]ccc21 ZINC000189206553 333185096 /nfs/dbraw/zinc/18/50/96/333185096.db2.gz RTJPJDROULSDQN-UHFFFAOYSA-N 0 1 284.334 3.605 20 0 CHADMN CCCC[N@@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)C1CC1 ZINC000575875127 335127218 /nfs/dbraw/zinc/12/72/18/335127218.db2.gz URYYIDNIAUXBLA-UHFFFAOYSA-N 0 1 281.783 3.803 20 0 CHADMN CCCc1nc(C[N@@H+](CCC)CC(C)C)cs1 ZINC000521819726 333190137 /nfs/dbraw/zinc/19/01/37/333190137.db2.gz DYWCUTDCSXWQMF-UHFFFAOYSA-N 0 1 254.443 3.964 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CCN2CCOCC(F)F)o1 ZINC000189484402 333193529 /nfs/dbraw/zinc/19/35/29/333193529.db2.gz DONFLDWLJHDAGL-DGCLKSJQSA-N 0 1 287.350 3.643 20 0 CHADMN CCc1cccc(CN(C)Cc2ccc(OC)c(O)c2)c1 ZINC000189537599 333194640 /nfs/dbraw/zinc/19/46/40/333194640.db2.gz UVNSZOGSDLRTPO-UHFFFAOYSA-N 0 1 285.387 3.595 20 0 CHADMN CC1(C)C[N@@H+](CCc2ccccn2)CC[C@@H]1C(F)(F)F ZINC000190156586 333203637 /nfs/dbraw/zinc/20/36/37/333203637.db2.gz HKJBYMWVMKMBOH-ZDUSSCGKSA-N 0 1 286.341 3.535 20 0 CHADMN CCC1(CC)CCCN(Cc2nnc(C)n2C2CC2)CC1 ZINC000190409803 333206191 /nfs/dbraw/zinc/20/61/91/333206191.db2.gz GOEYCOZCFSXMMY-UHFFFAOYSA-N 0 1 290.455 3.714 20 0 CHADMN Cc1ccc2nc(SC[C@@H]3CC[C@H](C)O3)[nH]c2c1 ZINC000190966965 333212880 /nfs/dbraw/zinc/21/28/80/333212880.db2.gz PJDIASRPWRCIOZ-QWRGUYRKSA-N 0 1 262.378 3.531 20 0 CHADMN C[C@@H](NCc1cccc(O)c1)c1csc(Cl)c1 ZINC000191252785 333217347 /nfs/dbraw/zinc/21/73/47/333217347.db2.gz DDWUBFPBGKFKQT-SECBINFHSA-N 0 1 267.781 3.958 20 0 CHADMN C[C@@H](N[C@H]1CCCC(C)(C)C1)c1nc(C(C)(C)C)no1 ZINC000191569285 333221679 /nfs/dbraw/zinc/22/16/79/333221679.db2.gz QXDMSSXSTCQJLQ-NEPJUHHUSA-N 0 1 279.428 3.987 20 0 CHADMN C[C@H](N[C@H]1CCC[C@@H](C)C1)c1nc(Cc2ccccc2)no1 ZINC000191597995 333222364 /nfs/dbraw/zinc/22/23/64/333222364.db2.gz YEVFKTPMAKRKHG-YCPHGPKFSA-N 0 1 299.418 3.890 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C(=O)C(C)(C)C)[nH]c2c1 ZINC000522039797 333231071 /nfs/dbraw/zinc/23/10/71/333231071.db2.gz MGEJPFRMZALNSS-CQSZACIVSA-N 0 1 285.391 3.581 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Cl)s2)CCS1 ZINC000192170864 333231447 /nfs/dbraw/zinc/23/14/47/333231447.db2.gz VFEOAJXGBWEAKD-SECBINFHSA-N 0 1 261.843 3.729 20 0 CHADMN CCN(Cc1cccc(Cl)c1Cl)C[C@H](C)OC ZINC000575897501 335129040 /nfs/dbraw/zinc/12/90/40/335129040.db2.gz VRYRFIHGFBISMQ-JTQLQIEISA-N 0 1 276.207 3.850 20 0 CHADMN c1cc2c(s1)CCC[C@H]2N[C@@H]1COCc2ccccc21 ZINC000225998534 333244880 /nfs/dbraw/zinc/24/48/80/333244880.db2.gz OCCATRBUSGTUEL-HZPDHXFCSA-N 0 1 285.412 3.987 20 0 CHADMN COc1cc(F)cc(CNCc2sccc2Cl)c1 ZINC000193200394 333244918 /nfs/dbraw/zinc/24/49/18/333244918.db2.gz SEJOQPLOGRQEPG-UHFFFAOYSA-N 0 1 285.771 3.839 20 0 CHADMN COc1ncccc1CNC1(c2ccccc2)CCCC1 ZINC000193507795 333251765 /nfs/dbraw/zinc/25/17/65/333251765.db2.gz MZNKFSIPYNEPMT-UHFFFAOYSA-N 0 1 282.387 3.649 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)CC(F)(F)F)cc2[nH]1 ZINC000193499610 333251867 /nfs/dbraw/zinc/25/18/67/333251867.db2.gz QVGQWACCFYKICP-UHFFFAOYSA-N 0 1 299.296 3.751 20 0 CHADMN Oc1cc(F)cc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC000226156653 333252294 /nfs/dbraw/zinc/25/22/94/333252294.db2.gz FBTMRBTYZRTWGB-CZUORRHYSA-N 0 1 263.356 3.686 20 0 CHADMN FC(F)(F)COc1cccc(CNCc2ccoc2)c1 ZINC000194092460 333265322 /nfs/dbraw/zinc/26/53/22/333265322.db2.gz PLXGLNMYAZSOMH-UHFFFAOYSA-N 0 1 285.265 3.511 20 0 CHADMN CCc1cc(C(=O)N(C2CC2)C2CCC(CC)CC2)n[nH]1 ZINC000194938053 333279830 /nfs/dbraw/zinc/27/98/30/333279830.db2.gz MKGGMZXMQFRFPL-UHFFFAOYSA-N 0 1 289.423 3.546 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000523288423 333314619 /nfs/dbraw/zinc/31/46/19/333314619.db2.gz RTONWMIHNXXVJJ-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCCN1Cc1cc(Cl)ccc1F ZINC000231218776 333324446 /nfs/dbraw/zinc/32/44/46/333324446.db2.gz NIXARXLSLWGRFW-RISCZKNCSA-N 0 1 285.790 3.605 20 0 CHADMN C[C@@H]1c2c(F)cccc2CCN1CCOC(C)(C)C ZINC000523448907 333327640 /nfs/dbraw/zinc/32/76/40/333327640.db2.gz OZQLARIXPQSEFD-GFCCVEGCSA-N 0 1 265.372 3.560 20 0 CHADMN CC(C)CN1CCN(C(=O)CCCC2CCCCC2)CC1 ZINC000302220546 333333603 /nfs/dbraw/zinc/33/36/03/333333603.db2.gz GMSAPMXEUXMWES-UHFFFAOYSA-N 0 1 294.483 3.537 20 0 CHADMN Cc1ncc(CN2CCC(c3ccccc3F)CC2)s1 ZINC000524081893 333353136 /nfs/dbraw/zinc/35/31/36/333353136.db2.gz DHVRUMGGXUTGGF-UHFFFAOYSA-N 0 1 290.407 3.970 20 0 CHADMN c1cncc(-c2n[nH]c(SCC3CCCCC3)n2)c1 ZINC000524466658 333362668 /nfs/dbraw/zinc/36/26/68/333362668.db2.gz UGIIQVFTQGEOKW-UHFFFAOYSA-N 0 1 274.393 3.539 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2nc(-c3ccco3)no2)CC1 ZINC000524484234 333363151 /nfs/dbraw/zinc/36/31/51/333363151.db2.gz OOVYVVGDMDQDPM-CYBMUJFWSA-N 0 1 289.379 3.588 20 0 CHADMN CCn1cc(CNC(c2ccccc2)c2ccccc2)cn1 ZINC000237019073 333377094 /nfs/dbraw/zinc/37/70/94/333377094.db2.gz IDYMGUHXOCVPQA-UHFFFAOYSA-N 0 1 291.398 3.782 20 0 CHADMN C[C@@H](NCc1cncn1C)c1ccc(-c2ccccc2)cc1 ZINC000237365143 333378968 /nfs/dbraw/zinc/37/89/68/333378968.db2.gz NUOUNDOYMSJUDO-OAHLLOKOSA-N 0 1 291.398 3.938 20 0 CHADMN CC(C)[C@@H](C)N(C)Cc1cccc(O)c1Br ZINC000315697258 333383137 /nfs/dbraw/zinc/38/31/37/333383137.db2.gz SCANYBQLLPZJKP-SNVBAGLBSA-N 0 1 286.213 3.631 20 0 CHADMN CCCCc1nc(CN2C[C@@H]3[C@H](C2)C3(C)C)cs1 ZINC000525123166 333399812 /nfs/dbraw/zinc/39/98/12/333399812.db2.gz UCUMUPYUYDZDFD-BETUJISGSA-N 0 1 264.438 3.574 20 0 CHADMN O=C([O-])c1occc1C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000575995299 335139742 /nfs/dbraw/zinc/13/97/42/335139742.db2.gz KIMLFSZYCQGIDX-UHFFFAOYSA-N 0 1 299.370 3.780 20 0 CHADMN C[C@H]1CCCC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000575995398 335139796 /nfs/dbraw/zinc/13/97/96/335139796.db2.gz MSOUNYIRNXDUGD-SMDDNHRTSA-N 0 1 281.783 3.588 20 0 CHADMN COc1cc([C@@H](C)NC/C=C(/C)Cl)cc(OC)c1OC ZINC000528435995 333437380 /nfs/dbraw/zinc/43/73/80/333437380.db2.gz XFBPQKUQJCILHG-SDKXAQGSSA-N 0 1 299.798 3.506 20 0 CHADMN Cc1nocc1CN[C@@H](C)c1cccc2ccccc21 ZINC000339165827 335142207 /nfs/dbraw/zinc/14/22/07/335142207.db2.gz OUZLAWKUWCOOMG-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN Cc1nocc1CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000339170585 335142259 /nfs/dbraw/zinc/14/22/59/335142259.db2.gz HSTLPXRJGJGVRP-HNNXBMFYSA-N 0 1 276.767 3.877 20 0 CHADMN Fc1ccc(/C=C\CN2CC(Cc3ccco3)C2)cc1F ZINC000529649030 333503776 /nfs/dbraw/zinc/50/37/76/333503776.db2.gz MTXDJHYRJKURBO-IWQZZHSRSA-N 0 1 289.325 3.746 20 0 CHADMN CC1(C)CC[C@@H]([NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000328435740 333532881 /nfs/dbraw/zinc/53/28/81/333532881.db2.gz BZQJMCCHLRNWHV-LLVKDONJSA-N 0 1 253.773 3.714 20 0 CHADMN C[C@H](N[C@@H](C)C1CCCC1)c1noc(-c2ccccc2)n1 ZINC000124476145 333559154 /nfs/dbraw/zinc/55/91/54/333559154.db2.gz SGZPZXOXAASESI-STQMWFEESA-N 0 1 285.391 3.966 20 0 CHADMN COc1cc(C)ccc1CN[C@H](C)c1ccc(F)cc1 ZINC000124558177 333559728 /nfs/dbraw/zinc/55/97/28/333559728.db2.gz FPLVEOOENJBISL-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN Cc1ccsc1[C@H](CO)N[C@H](C)c1ccc(F)c(F)c1 ZINC000538020334 333571513 /nfs/dbraw/zinc/57/15/13/333571513.db2.gz CZEDWDANHBLSGY-YGRLFVJLSA-N 0 1 297.370 3.719 20 0 CHADMN Cc1ccsc1[C@H](CO)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000538020326 333571531 /nfs/dbraw/zinc/57/15/31/333571531.db2.gz CZEDWDANHBLSGY-HZMBPMFUSA-N 0 1 297.370 3.719 20 0 CHADMN Cc1cccc(CN[C@H]2c3cccc(F)c3CC[C@H]2C)n1 ZINC000127211580 333623327 /nfs/dbraw/zinc/62/33/27/333623327.db2.gz OXLOPWBIFAONJJ-KZULUSFZSA-N 0 1 284.378 3.942 20 0 CHADMN CC(C)C[C@H](N[C@H](C)c1cnccn1)c1cccs1 ZINC000539089732 333657198 /nfs/dbraw/zinc/65/71/98/333657198.db2.gz FXEKBOXLHFDJKQ-OLZOCXBDSA-N 0 1 275.421 3.976 20 0 CHADMN C[C@H](NCCOc1ccccc1F)c1cc(F)ccc1F ZINC000540174707 333717769 /nfs/dbraw/zinc/71/77/69/333717769.db2.gz VGVGOLCNJKOVAT-NSHDSACASA-N 0 1 295.304 3.834 20 0 CHADMN COc1cccc([C@@H](C)NCc2ccc(OC)cc2F)c1 ZINC000228600137 333741658 /nfs/dbraw/zinc/74/16/58/333741658.db2.gz ZVJBDGKLKOIZGJ-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN C[C@H](NCc1cnn2ccccc12)c1cccc(Cl)c1 ZINC000071372690 333857133 /nfs/dbraw/zinc/85/71/33/333857133.db2.gz MMLYBJUXXIAQOD-LBPRGKRZSA-N 0 1 285.778 3.839 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)NCC(C)C)n2)cc1 ZINC000543543280 333879748 /nfs/dbraw/zinc/87/97/48/333879748.db2.gz MNWQQXAMDCMXBR-LBPRGKRZSA-N 0 1 273.380 3.606 20 0 CHADMN C[C@H](NCCCc1ccc(Cl)cc1)c1ccon1 ZINC000544547681 333935098 /nfs/dbraw/zinc/93/50/98/333935098.db2.gz VYKJPBFGZFRDIJ-NSHDSACASA-N 0 1 264.756 3.611 20 0 CHADMN CC[C@H](NCc1csc2ccccc12)c1ccn(C)n1 ZINC000544566283 333936168 /nfs/dbraw/zinc/93/61/68/333936168.db2.gz UMWRKAQUFRJHTD-AWEZNQCLSA-N 0 1 285.416 3.876 20 0 CHADMN CC[C@H](N[C@@H](c1ccc(C)cc1)C1CC1)c1ccn(C)n1 ZINC000544580472 333937723 /nfs/dbraw/zinc/93/77/23/333937723.db2.gz WHLDKHYXZSLTJL-WMZOPIPTSA-N 0 1 283.419 3.921 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N2CCCCCC2)n1 ZINC000072513256 333939968 /nfs/dbraw/zinc/93/99/68/333939968.db2.gz UBYWCEIZBHOHJQ-AWEZNQCLSA-N 0 1 285.391 3.982 20 0 CHADMN CCC(CC)(CCO)CNc1noc2ccc(Cl)cc21 ZINC000576200992 335168522 /nfs/dbraw/zinc/16/85/22/335168522.db2.gz GAXOHQVZPCIXRS-UHFFFAOYSA-N 0 1 296.798 3.504 20 0 CHADMN CCn1ccnc1CN[C@@H]1c2ccccc2CC[C@H]1C(C)C ZINC000545904065 334005147 /nfs/dbraw/zinc/00/51/47/334005147.db2.gz HBFKKJFRETYFNJ-LPHOPBHVSA-N 0 1 297.446 3.952 20 0 CHADMN Cc1ccc(-c2nnc(CN3CC[C@H](C)C(C)(C)C3)o2)cc1 ZINC000546126855 334015972 /nfs/dbraw/zinc/01/59/72/334015972.db2.gz LBXILGIPTFZUST-AWEZNQCLSA-N 0 1 299.418 3.913 20 0 CHADMN CC(C)C[C@H]1CCN(Cc2nccn2Cc2ccccc2)C1 ZINC000074995442 334022229 /nfs/dbraw/zinc/02/22/29/334022229.db2.gz HAPXFRIMWBXJBP-GOSISDBHSA-N 0 1 297.446 3.799 20 0 CHADMN CC(C)C[C@H]1CCN([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000074994106 334022344 /nfs/dbraw/zinc/02/23/44/334022344.db2.gz HZLUWSAGYQZVCQ-QWHCGFSZSA-N 0 1 265.401 3.622 20 0 CHADMN Cc1cc(-c2noc([C@@H]3CC34CCCC4)n2)cc2nc[nH]c21 ZINC000546439133 334032685 /nfs/dbraw/zinc/03/26/85/334032685.db2.gz JGMVQKOEYKTKEC-LBPRGKRZSA-N 0 1 294.358 3.969 20 0 CHADMN CCc1cc(C)c(-c2nc(-c3ccc4[nH]cnc4c3)no2)o1 ZINC000546442303 334032999 /nfs/dbraw/zinc/03/29/99/334032999.db2.gz ZOQJDLRCVVSOQT-UHFFFAOYSA-N 0 1 294.314 3.744 20 0 CHADMN C(c1nc(C2CCCC2)no1)N1CCC[C@@H]1C1CCCC1 ZINC000133432252 334040496 /nfs/dbraw/zinc/04/04/96/334040496.db2.gz XZEHIUTUOJZUEN-OAHLLOKOSA-N 0 1 289.423 3.882 20 0 CHADMN CC/C=C\CCN1CCO[C@@](C)(c2ccccc2)C1 ZINC000546636479 334042735 /nfs/dbraw/zinc/04/27/35/334042735.db2.gz PHRSIFYEETXPGG-VGOKWCNXSA-N 0 1 259.393 3.590 20 0 CHADMN CCc1cccc(CC)c1NC(=O)CN(C(C)C)C1CC1 ZINC000075609803 334046991 /nfs/dbraw/zinc/04/69/91/334046991.db2.gz LNXJWJYTNRMGBE-UHFFFAOYSA-N 0 1 288.435 3.623 20 0 CHADMN CC(C)Cc1noc(CN[C@@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000133658708 334049142 /nfs/dbraw/zinc/04/91/42/334049142.db2.gz KPPOMLKEKGLOON-HZPDHXFCSA-N 0 1 299.418 3.694 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2ccncc2Cl)C1 ZINC000075739120 334049927 /nfs/dbraw/zinc/04/99/27/334049927.db2.gz YPUKTIJWZONLHK-CYBMUJFWSA-N 0 1 284.856 3.843 20 0 CHADMN c1csc([C@H](NC2CCCC2)c2ccccc2)n1 ZINC000236576081 334055609 /nfs/dbraw/zinc/05/56/09/334055609.db2.gz YSWYJDZIDQSABT-CQSZACIVSA-N 0 1 258.390 3.765 20 0 CHADMN c1cc2c(o1)CCC[C@H]2NCc1cnc(C2CC2)s1 ZINC000133879805 334067789 /nfs/dbraw/zinc/06/77/89/334067789.db2.gz WLTPZZRZQBSATQ-CYBMUJFWSA-N 0 1 274.389 3.781 20 0 CHADMN Cc1cc(-c2noc(C3CCCC3)n2)cc2nc[nH]c21 ZINC000547143528 334069014 /nfs/dbraw/zinc/06/90/14/334069014.db2.gz OJKOTTUKAXNHJK-UHFFFAOYSA-N 0 1 268.320 3.579 20 0 CHADMN CCC[C@@H](C)c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000547169149 334070484 /nfs/dbraw/zinc/07/04/84/334070484.db2.gz RMTUYHPETVFMQC-LLVKDONJSA-N 0 1 291.370 3.841 20 0 CHADMN CCS[C@H](C)c1noc(-c2cc(-c3ccoc3)n[nH]2)n1 ZINC000547189453 334072167 /nfs/dbraw/zinc/07/21/67/334072167.db2.gz GTFDDSQOZPOBOA-MRVPVSSYSA-N 0 1 290.348 3.534 20 0 CHADMN CC(C)Oc1ccc(CN[C@@H](C)c2ccoc2)cc1 ZINC000134046644 334078453 /nfs/dbraw/zinc/07/84/53/334078453.db2.gz BZRFESUFVWSKMM-ZDUSSCGKSA-N 0 1 259.349 3.918 20 0 CHADMN CCCCCN(Cc1nc(C(C)(C)C)no1)C(C)C ZINC000076611166 334085426 /nfs/dbraw/zinc/08/54/26/334085426.db2.gz IQFYAAARZSKALD-UHFFFAOYSA-N 0 1 267.417 3.768 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNCCOCc2ccccc2)o1 ZINC000237460578 334089416 /nfs/dbraw/zinc/08/94/16/334089416.db2.gz HVSNGNZOWYCBRV-RHSMWYFYSA-N 0 1 285.387 3.709 20 0 CHADMN Cc1ccc(CNC(C)(C)c2ccc(F)c(F)c2)nc1 ZINC000134396129 334089822 /nfs/dbraw/zinc/08/98/22/334089822.db2.gz BKYXRLSHFKRBPI-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN CCC[C@@H]1CCCC[C@@H]1NCc1nc([C@@H](C)OCC)no1 ZINC000547508965 334096343 /nfs/dbraw/zinc/09/63/43/334096343.db2.gz WHCSUHPNXXWTDE-MCIONIFRSA-N 0 1 295.427 3.616 20 0 CHADMN Cc1ccc(-c2nc(C[N@@H+](C)CC3CC3)cs2)cc1 ZINC000077194393 334097991 /nfs/dbraw/zinc/09/79/91/334097991.db2.gz FEGBTUQAWSDEKO-UHFFFAOYSA-N 0 1 272.417 3.960 20 0 CHADMN Cc1ccc(-c2nc(CN(C)CC3CC3)cs2)cc1 ZINC000077194393 334097992 /nfs/dbraw/zinc/09/79/92/334097992.db2.gz FEGBTUQAWSDEKO-UHFFFAOYSA-N 0 1 272.417 3.960 20 0 CHADMN Cc1ccc(CN[C@H](C)c2nc3c(s2)CCC3)cc1 ZINC000134669005 334099760 /nfs/dbraw/zinc/09/97/60/334099760.db2.gz NUZWZOGNYVUHIG-GFCCVEGCSA-N 0 1 272.417 3.791 20 0 CHADMN CCN(CC)Cc1csc(-c2ccccc2F)n1 ZINC000077360280 334103633 /nfs/dbraw/zinc/10/36/33/334103633.db2.gz VZBMGFSBUYBGAI-UHFFFAOYSA-N 0 1 264.369 3.791 20 0 CHADMN Cc1ccc(-c2noc(CN3CCCCC[C@H]3C)n2)cc1 ZINC000547624351 334103507 /nfs/dbraw/zinc/10/35/07/334103507.db2.gz ZRYRNVFYVQNNIS-CQSZACIVSA-N 0 1 285.391 3.810 20 0 CHADMN CCCN(C)Cc1csc(-c2ccccc2F)n1 ZINC000077376404 334103996 /nfs/dbraw/zinc/10/39/96/334103996.db2.gz SVJFPNODCJXQLC-UHFFFAOYSA-N 0 1 264.369 3.791 20 0 CHADMN CC[C@H]1CCN(Cc2ccc(OC)c(Br)c2)C1 ZINC000134985417 334110913 /nfs/dbraw/zinc/11/09/13/334110913.db2.gz OWDWRPGBMJQDSU-NSHDSACASA-N 0 1 298.224 3.690 20 0 CHADMN CC1(C(=O)Nc2cccc(Cl)c2O)CCCCC1 ZINC000547722321 334111917 /nfs/dbraw/zinc/11/19/17/334111917.db2.gz RWWNYYJSOJBOGB-UHFFFAOYSA-N 0 1 267.756 3.955 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N(C)Cc1nccs1 ZINC000135103502 334115446 /nfs/dbraw/zinc/11/54/46/334115446.db2.gz QWPRTXZDFUVMGV-OAHLLOKOSA-N 0 1 274.433 3.905 20 0 CHADMN CCCN(CCC)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000135119026 334115910 /nfs/dbraw/zinc/11/59/10/334115910.db2.gz AFVFVFSUJXWURZ-UHFFFAOYSA-N 0 1 295.333 3.637 20 0 CHADMN CCc1ccccc1CNCc1cccc2c1OCCCO2 ZINC000077901754 334118322 /nfs/dbraw/zinc/11/83/22/334118322.db2.gz KMSOXVFFUOXECU-UHFFFAOYSA-N 0 1 297.398 3.700 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H]2CCc3ccccc32)s1 ZINC000135161391 334118454 /nfs/dbraw/zinc/11/84/54/334118454.db2.gz XVYVFNZMNMTKKZ-RISCZKNCSA-N 0 1 258.390 3.790 20 0 CHADMN Cc1cnc([C@@H](C)N[C@@H]2CCc3ccccc32)s1 ZINC000135161352 334118567 /nfs/dbraw/zinc/11/85/67/334118567.db2.gz XVYVFNZMNMTKKZ-BXUZGUMPSA-N 0 1 258.390 3.790 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN(C)CCC1CC1 ZINC000135267437 334122728 /nfs/dbraw/zinc/12/27/28/334122728.db2.gz UDHYZUABUAYZDT-UHFFFAOYSA-N 0 1 276.405 3.943 20 0 CHADMN C(CC1CC1)Sc1nnc(CCC2CCCC2)[nH]1 ZINC000547821789 334122777 /nfs/dbraw/zinc/12/27/77/334122777.db2.gz SVFLLEOTHAPNJF-UHFFFAOYSA-N 0 1 265.426 3.820 20 0 CHADMN C(CC1CC1)Sc1nc(CCC2CCCC2)n[nH]1 ZINC000547821789 334122778 /nfs/dbraw/zinc/12/27/78/334122778.db2.gz SVFLLEOTHAPNJF-UHFFFAOYSA-N 0 1 265.426 3.820 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@H](C(C)(C)C)CC2)nc1 ZINC000547996837 334134313 /nfs/dbraw/zinc/13/43/13/334134313.db2.gz IGSDAPYFMITORJ-AWEZNQCLSA-N 0 1 276.424 3.738 20 0 CHADMN Fc1cccc(F)c1CN1CC[C@@H]1Cc1ccccc1 ZINC000548075794 334138387 /nfs/dbraw/zinc/13/83/87/334138387.db2.gz HOFYPPUKJFLTQV-CQSZACIVSA-N 0 1 273.326 3.782 20 0 CHADMN CCOc1ccc(C(=O)Nc2cccc(Cl)c2O)cc1 ZINC000078732019 334139990 /nfs/dbraw/zinc/13/99/90/334139990.db2.gz IPRVPRMSEOXCGG-UHFFFAOYSA-N 0 1 291.734 3.697 20 0 CHADMN Cc1ccc(CNCc2cc(F)c(F)cc2F)s1 ZINC000135897675 334140790 /nfs/dbraw/zinc/14/07/90/334140790.db2.gz LKXIPUICTKPXMB-UHFFFAOYSA-N 0 1 271.307 3.764 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1cc2ccccc2o1 ZINC000136215243 334149699 /nfs/dbraw/zinc/14/96/99/334149699.db2.gz DLKKVBZOOHRNTM-UHFFFAOYSA-N 0 1 297.358 3.518 20 0 CHADMN Cc1noc(CNC(C)(C)CC2CCCCCC2)n1 ZINC000548405140 334154455 /nfs/dbraw/zinc/15/44/55/334154455.db2.gz REGMHUPLVYZEIT-UHFFFAOYSA-N 0 1 265.401 3.607 20 0 CHADMN CCC[C@H](NC(=O)[C@H](C)N1[C@H](C)C[C@H]1C)c1ccccc1 ZINC000548426005 334155626 /nfs/dbraw/zinc/15/56/26/334155626.db2.gz BHZIWZQSGCWDNK-AIANPOQGSA-N 0 1 288.435 3.515 20 0 CHADMN CCCCN(CCCC)C(=O)COc1cc(C)nc(C)c1 ZINC000548470118 334158709 /nfs/dbraw/zinc/15/87/09/334158709.db2.gz AZUGQIOWNUUBIQ-UHFFFAOYSA-N 0 1 292.423 3.506 20 0 CHADMN C[C@H]1CCCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000080035954 334165535 /nfs/dbraw/zinc/16/55/35/334165535.db2.gz WMHDWKKBPDHEJU-QMMMGPOBSA-N 0 1 288.174 3.571 20 0 CHADMN Cc1cc(C)cc(NC(=O)c2cc(F)cc3[nH]cnc32)c1 ZINC000080209253 334167500 /nfs/dbraw/zinc/16/75/00/334167500.db2.gz WCZFIFBTWCNBFZ-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN C[C@@H](C(=O)Nc1cccc2ccccc21)N1[C@H](C)C[C@@H]1C ZINC000548754266 334170100 /nfs/dbraw/zinc/17/01/00/334170100.db2.gz MRBCWHYIKDPHQP-MJBXVCDLSA-N 0 1 282.387 3.650 20 0 CHADMN COc1cc(CN(C)Cc2cccc(Cl)c2)ccc1O ZINC000080873632 334174844 /nfs/dbraw/zinc/17/48/44/334174844.db2.gz RIUGUQUJDURKOR-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CCSC(C)C)[C@@H](C)CO1 ZINC000548919702 334180528 /nfs/dbraw/zinc/18/05/28/334180528.db2.gz SNBIEMPLBKCMBP-RDJZCZTQSA-N 0 1 293.476 3.898 20 0 CHADMN COc1ccc(CN(C)C/C(C)=C/c2ccccc2)nc1 ZINC000548936821 334181072 /nfs/dbraw/zinc/18/10/72/334181072.db2.gz NOGXWADASFJRDU-RVDMUPIBSA-N 0 1 282.387 3.626 20 0 CHADMN CCOc1ccc2nc(S[C@H]3CCC[C@H]3OC)[nH]c2c1 ZINC000549013341 334182592 /nfs/dbraw/zinc/18/25/92/334182592.db2.gz UOYUJUJQPYTNAB-KGLIPLIRSA-N 0 1 292.404 3.621 20 0 CHADMN CO[C@H](C[N@H+]1CCOC(C)(C)[C@H]1C)c1ccc(Cl)cc1 ZINC000549140388 334186312 /nfs/dbraw/zinc/18/63/12/334186312.db2.gz YENIXLSRODAOSM-IUODEOHRSA-N 0 1 297.826 3.527 20 0 CHADMN CO[C@H](CN1CCOC(C)(C)[C@H]1C)c1ccc(Cl)cc1 ZINC000549140388 334186313 /nfs/dbraw/zinc/18/63/13/334186313.db2.gz YENIXLSRODAOSM-IUODEOHRSA-N 0 1 297.826 3.527 20 0 CHADMN Cc1nc(CN(C)[C@H]2CC[C@@H](C)C2)nc2ccccc12 ZINC000549918427 334208635 /nfs/dbraw/zinc/20/86/35/334208635.db2.gz FARVXHMSPUGCCN-OCCSQVGLSA-N 0 1 269.392 3.559 20 0 CHADMN CCc1ccc(CN(C)Cc2cc(C)ccc2C)nc1 ZINC000549996919 334210900 /nfs/dbraw/zinc/21/09/00/334210900.db2.gz OBNSUJKINYSICH-UHFFFAOYSA-N 0 1 268.404 3.893 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CC[C@@H](CC2CC2)C1 ZINC000550032078 334211775 /nfs/dbraw/zinc/21/17/75/334211775.db2.gz DSEQIUVXZQTAKH-YPMHNXCESA-N 0 1 277.412 3.550 20 0 CHADMN COc1ccc(F)c(CNCCO[C@H]2CCCC[C@@H]2C)c1 ZINC000550099629 334212855 /nfs/dbraw/zinc/21/28/55/334212855.db2.gz DJCWHRAGIUKHEV-GUYCJALGSA-N 0 1 295.398 3.519 20 0 CHADMN COC[C@@H]1CCN1Cc1ccccc1Oc1ccccc1 ZINC000550156826 334214779 /nfs/dbraw/zinc/21/47/79/334214779.db2.gz MFLQVFFQGWTDKR-INIZCTEOSA-N 0 1 283.371 3.700 20 0 CHADMN Fc1ccccc1[C@H]1CN(C[C@@H]2CC=CCC2)CCO1 ZINC000245738370 334216436 /nfs/dbraw/zinc/21/64/36/334216436.db2.gz LIFFICOOOXHIHJ-RHSMWYFYSA-N 0 1 275.367 3.555 20 0 CHADMN c1coc([C@H]2CN([C@H]3CCCc4ccccc43)CCO2)c1 ZINC000246975467 334273179 /nfs/dbraw/zinc/27/31/79/334273179.db2.gz PKQQGNXQDBZKSO-FUHWJXTLSA-N 0 1 283.371 3.731 20 0 CHADMN c1nc2ccc(CNc3ccc([C@@H]4CCOC4)cc3)cc2[nH]1 ZINC000550295940 334219216 /nfs/dbraw/zinc/21/92/16/334219216.db2.gz YNPLTSUKOHCGQS-OAHLLOKOSA-N 0 1 293.370 3.679 20 0 CHADMN FC(F)(F)c1ccc(CNc2cc3c(cn2)CCC3)cc1 ZINC000550308059 334219637 /nfs/dbraw/zinc/21/96/37/334219637.db2.gz MTTPMCLCKNKWFH-UHFFFAOYSA-N 0 1 292.304 3.623 20 0 CHADMN C[C@H](c1nc(Cc2ccccc2)no1)N1CC[C@@H](C)[C@H](C)C1 ZINC000245852680 334221748 /nfs/dbraw/zinc/22/17/48/334221748.db2.gz DAVFQFFJTPDSTB-RBSFLKMASA-N 0 1 299.418 3.699 20 0 CHADMN CC[C@H](F)CN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000550391330 334221758 /nfs/dbraw/zinc/22/17/58/334221758.db2.gz QMYJGDSAADRQFF-GXTWGEPZSA-N 0 1 271.763 3.541 20 0 CHADMN CC(C)(C)OC(=O)c1ccc(CN2CCC[C@H]2CF)cc1 ZINC000550409473 334221827 /nfs/dbraw/zinc/22/18/27/334221827.db2.gz IZHAEXHGTBAHSJ-HNNXBMFYSA-N 0 1 293.382 3.576 20 0 CHADMN Fc1cccc(F)c1CN1CC[C@H](CC2CC2)C1 ZINC000550410491 334222008 /nfs/dbraw/zinc/22/20/08/334222008.db2.gz VNLQMXJKFNBTLH-GFCCVEGCSA-N 0 1 251.320 3.587 20 0 CHADMN CCC[C@H](C)CN1CCO[C@@H](c2ccsc2)C1 ZINC000245868831 334222190 /nfs/dbraw/zinc/22/21/90/334222190.db2.gz RAAVNIAUBYJSEO-GXTWGEPZSA-N 0 1 253.411 3.558 20 0 CHADMN C[C@H]1CN(Cc2cnc3ccccn23)[C@H]1c1ccccc1 ZINC000247003548 334273721 /nfs/dbraw/zinc/27/37/21/334273721.db2.gz DBXUZARVDGOOLW-KBXCAEBGSA-N 0 1 277.371 3.527 20 0 CHADMN C[C@H](NCc1ncn(-c2ccccc2)n1)C1CCCCCC1 ZINC000550930018 334233851 /nfs/dbraw/zinc/23/38/51/334233851.db2.gz BIKLUWRGTYIANQ-HNNXBMFYSA-N 0 1 298.434 3.716 20 0 CHADMN CCc1ccc(N[C@@H](c2c[nH]nn2)c2ccc(F)cc2)cc1 ZINC000550937064 334234303 /nfs/dbraw/zinc/23/43/03/334234303.db2.gz ANPRHQQWJLLBHP-QGZVFWFLSA-N 0 1 296.349 3.708 20 0 CHADMN CC(F)(F)CN[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000551255817 334243246 /nfs/dbraw/zinc/24/32/46/334243246.db2.gz TWVHIUHTYOTEHP-ZIAGYGMSSA-N 0 1 253.336 3.958 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CCCCCF)[C@H](C)CO1 ZINC000551387177 334248748 /nfs/dbraw/zinc/24/87/48/334248748.db2.gz WGBALTVQALHNGM-WBVHZDCISA-N 0 1 279.399 3.897 20 0 CHADMN CC[C@H](C)N1CCc2ccc(Br)cc2C1 ZINC000551466006 334251138 /nfs/dbraw/zinc/25/11/38/334251138.db2.gz XEGGDUCKQOURPO-JTQLQIEISA-N 0 1 268.198 3.606 20 0 CHADMN CC[C@@H]1CCN1Cc1ccc(Sc2ccccn2)o1 ZINC000552052282 334281992 /nfs/dbraw/zinc/28/19/92/334281992.db2.gz YVGASOONTUDCLP-GFCCVEGCSA-N 0 1 274.389 3.810 20 0 CHADMN CCO[C@@H]1C[C@H]1N[C@H](CCC(C)C)c1ccoc1 ZINC000552055621 334282234 /nfs/dbraw/zinc/28/22/34/334282234.db2.gz WPLMHKFPKUFSPX-RBSFLKMASA-N 0 1 251.370 3.524 20 0 CHADMN Fc1ccc(CNc2nccn2Cc2ccccc2)c(F)c1 ZINC000552059389 334282880 /nfs/dbraw/zinc/28/28/80/334282880.db2.gz KZYCREOWKRGVHU-UHFFFAOYSA-N 0 1 299.324 3.822 20 0 CHADMN Cc1ccsc1CN1CCc2cccc(F)c2C1 ZINC000552065065 334284310 /nfs/dbraw/zinc/28/43/10/334284310.db2.gz BQRMOSKGRPXKTA-UHFFFAOYSA-N 0 1 261.365 3.754 20 0 CHADMN CN(Cc1cccn1C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000552073100 334286195 /nfs/dbraw/zinc/28/61/95/334286195.db2.gz PWOIQAURXWXDRE-UHFFFAOYSA-N 0 1 298.430 3.761 20 0 CHADMN C[C@H](CN1CCO[C@@H](c2cccs2)C1)c1ccccc1 ZINC000247625523 334286758 /nfs/dbraw/zinc/28/67/58/334286758.db2.gz UGOYTQLZFVWFGT-GDBMZVCRSA-N 0 1 287.428 3.925 20 0 CHADMN C[C@H](Cc1ccsc1)N[C@H](C)c1c(F)cncc1F ZINC000552092998 334288538 /nfs/dbraw/zinc/28/85/38/334288538.db2.gz RQBPWWVPHANXII-NXEZZACHSA-N 0 1 282.359 3.703 20 0 CHADMN Cc1cc(C)c(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1C ZINC000552147227 334295135 /nfs/dbraw/zinc/29/51/35/334295135.db2.gz UAIKUHKQLGZLHW-MOPGFXCFSA-N 0 1 285.431 3.755 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CC[C@@H](C)[C@H]1C ZINC000248366666 334298930 /nfs/dbraw/zinc/29/89/30/334298930.db2.gz SKPWZRPJCFLMOX-CHWSQXEVSA-N 0 1 275.392 3.518 20 0 CHADMN CC(C)c1noc([C@@H](C)N[C@H]2CC[C@@H](C)C[C@H]2C)n1 ZINC000248561390 334306395 /nfs/dbraw/zinc/30/63/95/334306395.db2.gz MZNSGDWNHJIENA-LPWJVIDDSA-N 0 1 265.401 3.668 20 0 CHADMN CC(C)c1noc([C@H](C)N[C@H]2CC[C@@H](C)C[C@@H]2C)n1 ZINC000248561393 334306411 /nfs/dbraw/zinc/30/64/11/334306411.db2.gz MZNSGDWNHJIENA-VOAKCMCISA-N 0 1 265.401 3.668 20 0 CHADMN c1ccc(-c2nnc(CN3CCC[C@@H]4CCC[C@H]43)s2)cc1 ZINC000248633215 334310087 /nfs/dbraw/zinc/31/00/87/334310087.db2.gz SEXJXUVSIRRFJI-DZGCQCFKSA-N 0 1 299.443 3.970 20 0 CHADMN Fc1ccc([C@H]2CCN(Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000552272330 334310809 /nfs/dbraw/zinc/31/08/09/334310809.db2.gz KWBWMDZBOBKFHG-AWEZNQCLSA-N 0 1 295.361 3.692 20 0 CHADMN C[C@H](CCN1CCO[C@@H](c2ccco2)C1)c1ccccc1 ZINC000248948986 334322615 /nfs/dbraw/zinc/32/26/15/334322615.db2.gz CVNNMALIQYBEHT-CRAIPNDOSA-N 0 1 285.387 3.847 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@@H]1CC2CCC1CC2 ZINC000552405463 334324172 /nfs/dbraw/zinc/32/41/72/334324172.db2.gz CSFNIWVHNWCUIC-UDNWOFFPSA-N 0 1 297.757 3.950 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCS[C@@H](C)CC1 ZINC000249047368 334325834 /nfs/dbraw/zinc/32/58/34/334325834.db2.gz NVDRZEVEEJYLBO-WDEREUQCSA-N 0 1 271.376 3.853 20 0 CHADMN CC(C)[C@@H]1CCC[C@@H](N[C@@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000249101354 334327594 /nfs/dbraw/zinc/32/75/94/334327594.db2.gz NVUBKPFVJNKJDG-DJIMGWMZSA-N 0 1 298.434 3.699 20 0 CHADMN CCN(Cc1csc(NC(C)=O)n1)[C@H]1CCCC[C@H]1C ZINC000249353854 334332432 /nfs/dbraw/zinc/33/24/32/334332432.db2.gz KTGURGXOPYBXMP-RISCZKNCSA-N 0 1 295.452 3.502 20 0 CHADMN CCc1ccc(CN2C[C@H](C)C[C@H]2c2cccnc2)o1 ZINC000249510315 334335137 /nfs/dbraw/zinc/33/51/37/334335137.db2.gz MZCAKXWGBWNGKE-DYVFJYSZSA-N 0 1 270.376 3.820 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1CCC[C@H](C)CC1 ZINC000249842720 334341007 /nfs/dbraw/zinc/34/10/07/334341007.db2.gz YGCWZUACDTUFOX-NWDGAFQWSA-N 0 1 291.420 3.981 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCC[C@H](C)[C@H]1C ZINC000250517114 334345498 /nfs/dbraw/zinc/34/54/98/334345498.db2.gz PBHJEGKDELCFHJ-UONOGXRCSA-N 0 1 289.419 3.908 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000250542067 334345911 /nfs/dbraw/zinc/34/59/11/334345911.db2.gz XWAPIHNMRVSJOV-YOEHRIQHSA-N 0 1 287.403 3.641 20 0 CHADMN c1nc(CN2CCCSCC2)sc1-c1ccccc1 ZINC000089982258 334354706 /nfs/dbraw/zinc/35/47/06/334354706.db2.gz JAUAERBVNAFHGN-UHFFFAOYSA-N 0 1 290.457 3.749 20 0 CHADMN c1cc(CN2CCCC[C@H]2CCc2ccccc2)no1 ZINC000090010466 334355500 /nfs/dbraw/zinc/35/55/00/334355500.db2.gz DMLGYWIVNKTMAI-KRWDZBQOSA-N 0 1 270.376 3.662 20 0 CHADMN Cc1cc(C)cc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000251063433 334355513 /nfs/dbraw/zinc/35/55/13/334355513.db2.gz FKBNUZWWVIIHIA-ZACQAIPSSA-N 0 1 287.403 3.521 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCC1CCCCC1 ZINC000251329472 334359945 /nfs/dbraw/zinc/35/99/45/334359945.db2.gz OYCBOHIFNVSADI-OAGGEKHMSA-N 0 1 279.424 3.675 20 0 CHADMN CC1CCC(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])CC1 ZINC000251572182 334364386 /nfs/dbraw/zinc/36/43/86/334364386.db2.gz BSYWCXLKMKHDKY-NEADZQPHSA-N 0 1 279.424 3.530 20 0 CHADMN COc1ccc(OC(F)F)c(CN2CC[C@@H]2C(C)C)c1 ZINC000553164968 334366128 /nfs/dbraw/zinc/36/61/28/334366128.db2.gz APLPLKKFTMXKSZ-CYBMUJFWSA-N 0 1 285.334 3.527 20 0 CHADMN C[C@@H]1CCC[C@H](C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1 ZINC000251913267 334371777 /nfs/dbraw/zinc/37/17/77/334371777.db2.gz UEALCGBHARAXJZ-YXMSTPNBSA-N 0 1 279.424 3.530 20 0 CHADMN C[C@H]1CN(C2CCCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000252774722 334392339 /nfs/dbraw/zinc/39/23/39/334392339.db2.gz UMHGEEPCMIJXTR-LRDDRELGSA-N 0 1 263.356 3.530 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cccc4[nH]ccc43)[nH]c2c1 ZINC000553812271 334399674 /nfs/dbraw/zinc/39/96/74/334399674.db2.gz SNBDFBCKTJTDPA-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN Brc1ccc(CNC/C=C\c2ccccc2)o1 ZINC000255034342 334503600 /nfs/dbraw/zinc/50/36/00/334503600.db2.gz WPUNNURCUVKRKR-DAXSKMNVSA-N 0 1 292.176 3.845 20 0 CHADMN C[C@@H]1CCN[C@H](c2nc(-c3cccc4ccccc43)no2)C1 ZINC000262515448 334552821 /nfs/dbraw/zinc/55/28/21/334552821.db2.gz NMBIQOTYBOQJHY-WBMJQRKESA-N 0 1 293.370 3.950 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1occc1C)CCC2 ZINC000267142526 334695145 /nfs/dbraw/zinc/69/51/45/334695145.db2.gz YEHZONLMSWJYOJ-MRXNPFEDSA-N 0 1 271.360 3.764 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1occc1C)CCC2 ZINC000267142523 334695295 /nfs/dbraw/zinc/69/52/95/334695295.db2.gz YEHZONLMSWJYOJ-INIZCTEOSA-N 0 1 271.360 3.764 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccc1C(F)(F)F)c1cnn(C)c1 ZINC000268875602 334717722 /nfs/dbraw/zinc/71/77/22/334717722.db2.gz WMKXMVDUXGVMNM-GHMZBOCLSA-N 0 1 297.324 3.851 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(Cl)c(F)c1 ZINC000311568383 334735383 /nfs/dbraw/zinc/73/53/83/334735383.db2.gz FEQGYQXKVKJFLL-ZJUUUORDSA-N 0 1 281.762 3.624 20 0 CHADMN Cc1nnsc1CN[C@@H](c1ccccc1C)C(C)C ZINC000567884973 334771817 /nfs/dbraw/zinc/77/18/17/334771817.db2.gz DHAVGVAAZUQRIM-OAHLLOKOSA-N 0 1 275.421 3.642 20 0 CHADMN CC1(C)CCC[C@@H](NCc2noc(-c3cccs3)n2)C1 ZINC000569188100 334860023 /nfs/dbraw/zinc/86/00/23/334860023.db2.gz LXOHKRSVJHFIMM-LLVKDONJSA-N 0 1 291.420 3.857 20 0 CHADMN Fc1cccc(CNCc2cccc3c2CCCN3)c1F ZINC000573187022 334915609 /nfs/dbraw/zinc/91/56/09/334915609.db2.gz QMEBGFAHDIIRLY-UHFFFAOYSA-N 0 1 288.341 3.613 20 0 CHADMN C[C@H]1C[C@@H](Nc2ccc(F)cn2)CC[N@H+]1Cc1ccccc1 ZINC000342562087 335182943 /nfs/dbraw/zinc/18/29/43/335182943.db2.gz HKXQGQHNYRDQFQ-YOEHRIQHSA-N 0 1 299.393 3.686 20 0 CHADMN CC(C)C[C@H](C)C[N@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000576352989 335193500 /nfs/dbraw/zinc/19/35/00/335193500.db2.gz LIHUODNBTAWPAK-HOTGVXAUSA-N 0 1 291.435 3.892 20 0 CHADMN C[C@]1(C(=O)[O-])CCC[N@@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000576643218 335230126 /nfs/dbraw/zinc/23/01/26/335230126.db2.gz RUKUPBBXYJVNQV-OUMXJLHTSA-N 0 1 293.794 3.540 20 0 CHADMN CN(C)c1cccnc1CN[C@H](CC1CC1)c1ccccc1 ZINC000576793635 335248389 /nfs/dbraw/zinc/24/83/89/335248389.db2.gz SNSFVJLVPWTLMR-QGZVFWFLSA-N 0 1 295.430 3.779 20 0 CHADMN Cc1nc(CN[C@H]2CC(C)(C)c3ccccc32)[nH]c1C ZINC000576838293 335254440 /nfs/dbraw/zinc/25/44/40/335254440.db2.gz OQXIHIHQBXZTLK-HNNXBMFYSA-N 0 1 269.392 3.539 20 0 CHADMN CCc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000192625842 335283108 /nfs/dbraw/zinc/28/31/08/335283108.db2.gz HKBFOXBAPIYPTB-WMLDXEAASA-N 0 1 288.435 3.698 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC000580571859 335285517 /nfs/dbraw/zinc/28/55/17/335285517.db2.gz HBCQEGBJJGVSII-SCVCMEIPSA-N 0 1 299.773 3.553 20 0 CHADMN Clc1cccc(-c2n[nH]cc2CNCc2ccoc2)c1 ZINC000176485702 335287467 /nfs/dbraw/zinc/28/74/67/335287467.db2.gz FJAACJRAZZPMRC-UHFFFAOYSA-N 0 1 287.750 3.613 20 0 CHADMN Cc1cc(CNCc2ccc3ccccc3n2)cc(C)c1O ZINC000577145934 335308453 /nfs/dbraw/zinc/30/84/53/335308453.db2.gz NQHCQLJNKMIFDX-UHFFFAOYSA-N 0 1 292.382 3.847 20 0 CHADMN C[C@]1(Cc2cccc(F)c2)CCCN1Cc1cscn1 ZINC000580645366 335310567 /nfs/dbraw/zinc/31/05/67/335310567.db2.gz XYSSNTICTVUSBW-MRXNPFEDSA-N 0 1 290.407 3.879 20 0 CHADMN Cc1nnsc1CN(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000577173350 335315499 /nfs/dbraw/zinc/31/54/99/335315499.db2.gz QKYNVUABEMTMEJ-ZDUSSCGKSA-N 0 1 287.432 3.647 20 0 CHADMN Cc1ccnc([C@H]2CCN(Cc3cc(F)cc(F)c3)C2)c1 ZINC000577230724 335327323 /nfs/dbraw/zinc/32/73/23/335327323.db2.gz WZORGQJCXJYBLD-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN CC(C)[N@@H+](CCc1ccccc1C(=O)[O-])C1CCCC1 ZINC000577284163 335335213 /nfs/dbraw/zinc/33/52/13/335335213.db2.gz AVVFMOUDFHWDDD-UHFFFAOYSA-N 0 1 275.392 3.580 20 0 CHADMN c1cc2c(s1)CCC[C@@H]2NCc1ccc2c(n1)CCC2 ZINC000577477367 335356627 /nfs/dbraw/zinc/35/66/27/335356627.db2.gz SYUFINKADWQUNK-INIZCTEOSA-N 0 1 284.428 3.799 20 0 CHADMN COC1CC(Sc2nc(C)c(-c3ccccc3)[nH]2)C1 ZINC000577507941 335362134 /nfs/dbraw/zinc/36/21/34/335362134.db2.gz CKWVUCXRKKMWLD-UHFFFAOYSA-N 0 1 274.389 3.655 20 0 CHADMN CCn1cc([C@@H](C)NCc2cc3cc(C)ccc3o2)cn1 ZINC000577585063 335373711 /nfs/dbraw/zinc/37/37/11/335373711.db2.gz WVDBZFLGGHAGIA-CYBMUJFWSA-N 0 1 283.375 3.808 20 0 CHADMN Cc1nnsc1CN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000577615115 335378464 /nfs/dbraw/zinc/37/84/64/335378464.db2.gz BERRAJZMBXTGIZ-FJVVXJACSA-N 0 1 285.416 3.524 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000577760537 335398556 /nfs/dbraw/zinc/39/85/56/335398556.db2.gz GSGQFVCCPSLENK-HNNXBMFYSA-N 0 1 277.408 3.669 20 0 CHADMN CSc1ccc([C@@H](C)N[C@@H](CO)c2ccsc2)cc1 ZINC000349407271 335463990 /nfs/dbraw/zinc/46/39/90/335463990.db2.gz IZYCIRXASZJUQO-ABAIWWIYSA-N 0 1 293.457 3.854 20 0 CHADMN CC(C)(C)OCCNC1(c2ccc(F)cc2F)CCC1 ZINC000179984054 335538215 /nfs/dbraw/zinc/53/82/15/335538215.db2.gz YLLDERXTJZNNOJ-UHFFFAOYSA-N 0 1 283.362 3.749 20 0 CHADMN C(=C/c1nc(-c2ccn3cncc3c2)no1)\c1ccsc1 ZINC000351089711 335566351 /nfs/dbraw/zinc/56/63/51/335566351.db2.gz ODLBSCRPFDOZQE-OWOJBTEDSA-N 0 1 294.339 3.616 20 0 CHADMN COC(=O)CC[C@@H](N[C@H](C)c1ccoc1)c1ccccc1 ZINC000180671179 335616512 /nfs/dbraw/zinc/61/65/12/335616512.db2.gz QPWHNESBZAVCRF-CZUORRHYSA-N 0 1 287.359 3.625 20 0 CHADMN COCc1noc([C@H](C)N[C@H](CCC(C)C)C(C)(C)C)n1 ZINC000181335269 335758378 /nfs/dbraw/zinc/75/83/78/335758378.db2.gz XBSCKKYDIOOCLZ-QWHCGFSZSA-N 0 1 297.443 3.718 20 0 CHADMN Cc1ccccc1-c1cnc(CN[C@@H]2CCC2(C)C)o1 ZINC000579489455 335772749 /nfs/dbraw/zinc/77/27/49/335772749.db2.gz ULTWBRFAPKPZGD-OAHLLOKOSA-N 0 1 270.376 3.928 20 0 CHADMN CC(C)=CCN[C@@H](COCC(C)C)c1ccco1 ZINC000184193668 335920391 /nfs/dbraw/zinc/92/03/91/335920391.db2.gz LTTFNUSMCHNVCZ-AWEZNQCLSA-N 0 1 251.370 3.549 20 0 CHADMN C[C@H](N[C@@H]1CC[C@H](C)[C@@H](C)C1)c1nc(C(C)(C)C)no1 ZINC000184486112 335927193 /nfs/dbraw/zinc/92/71/93/335927193.db2.gz WSCXQQDPXWYHNJ-ZDEQEGDKSA-N 0 1 279.428 3.842 20 0 CHADMN CC[C@]1(CO)CCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000581161102 336017139 /nfs/dbraw/zinc/01/71/39/336017139.db2.gz VAYRRLWZXCSWMF-CQSZACIVSA-N 0 1 288.218 3.730 20 0 CHADMN C[C@@H](O)[C@H](N[C@@H](C)c1ccc(F)cc1)c1ccccc1F ZINC000581195383 336022710 /nfs/dbraw/zinc/02/27/10/336022710.db2.gz KGYHPIIYHKOIAH-JKDFXYPNSA-N 0 1 291.341 3.738 20 0 CHADMN C[C@H](O)[C@H](N[C@@H](C)c1ccc(F)cc1)c1ccccc1F ZINC000581195387 336023115 /nfs/dbraw/zinc/02/31/15/336023115.db2.gz KGYHPIIYHKOIAH-PRXAMGSTSA-N 0 1 291.341 3.738 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000381488334 336066301 /nfs/dbraw/zinc/06/63/01/336066301.db2.gz GUJOYGBGWOQDNQ-PHIMTYICSA-N 0 1 281.783 3.516 20 0 CHADMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC000381478800 336066430 /nfs/dbraw/zinc/06/64/30/336066430.db2.gz DZWFOSAZPHCBIC-PWSUYJOCSA-N 0 1 281.783 3.801 20 0 CHADMN CCCC[N@@H+](CC)Cc1cccc(C(=O)[O-])c1Cl ZINC000382113659 336081976 /nfs/dbraw/zinc/08/19/76/336081976.db2.gz LBDCHHIDNRFEEY-UHFFFAOYSA-N 0 1 269.772 3.660 20 0 CHADMN CC[C@@H](C)N(CCO)Cc1cccc(Cl)c1Cl ZINC000383341962 336107389 /nfs/dbraw/zinc/10/73/89/336107389.db2.gz KYRFLURVSJOIRX-SNVBAGLBSA-N 0 1 276.207 3.586 20 0 CHADMN c1cc2cccc(C[N@H+]3CCCc4occc4C3)c2[nH]1 ZINC000581635142 336115318 /nfs/dbraw/zinc/11/53/18/336115318.db2.gz UAYFPPSIJXNICY-UHFFFAOYSA-N 0 1 266.344 3.709 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC000383693195 336116540 /nfs/dbraw/zinc/11/65/40/336116540.db2.gz FDHDCFUKPCVNQI-NSHDSACASA-N 0 1 275.373 3.639 20 0 CHADMN C[C@@H]1C[C@H](N[C@H](c2ccco2)c2ccccc2)[C@@H](C)O1 ZINC000384859704 336133111 /nfs/dbraw/zinc/13/31/11/336133111.db2.gz GYAXDGQBDJDPHY-LGWLGOQQSA-N 0 1 271.360 3.525 20 0 CHADMN CC[C@@H](C)Cc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000581909895 336164569 /nfs/dbraw/zinc/16/45/69/336164569.db2.gz YBLMFXPIWCQHKD-SECBINFHSA-N 0 1 270.336 3.510 20 0 CHADMN C[C@H]1CCC[C@H](C)[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000581949230 336175104 /nfs/dbraw/zinc/17/51/04/336175104.db2.gz UIEMVUAIEFSJDG-RYUDHWBXSA-N 0 1 279.355 3.534 20 0 CHADMN C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000581949229 336175176 /nfs/dbraw/zinc/17/51/76/336175176.db2.gz UIEMVUAIEFSJDG-NWDGAFQWSA-N 0 1 279.355 3.534 20 0 CHADMN Cc1cc(CN[C@@H]2COCc3ccccc32)c(C)s1 ZINC000334930650 533726225 /nfs/dbraw/zinc/72/62/25/533726225.db2.gz BRWZWMNEQFMZLW-MRXNPFEDSA-N 0 1 273.401 3.726 20 0 CHADMN C[C@H](CC1CCCC1)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000352629134 533773406 /nfs/dbraw/zinc/77/34/06/533773406.db2.gz FJQHYIMPISPZHH-LLVKDONJSA-N 0 1 271.364 3.718 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2sccc2Cl)n[nH]1 ZINC000278858415 522441372 /nfs/dbraw/zinc/44/13/72/522441372.db2.gz XQVFFUAFFZDKEJ-BDAKNGLRSA-N 0 1 298.843 3.884 20 0 CHADMN Cc1ccc(CN(Cc2cnc(C)nc2)C2CC2)cc1C ZINC000352029764 533905131 /nfs/dbraw/zinc/90/51/31/533905131.db2.gz SBSNJPQABRTFLV-UHFFFAOYSA-N 0 1 281.403 3.566 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(F)(F)F)C[C@H]2C)cn1 ZINC000336227807 533950444 /nfs/dbraw/zinc/95/04/44/533950444.db2.gz AKGOEBCJLNTRQD-YPMHNXCESA-N 0 1 272.314 3.553 20 0 CHADMN C[C@H](N[C@@H](C)c1cc2cccc(F)c2o1)c1cnn(C)c1 ZINC000353381152 533975874 /nfs/dbraw/zinc/97/58/74/533975874.db2.gz LWXFGCDIQLYWAO-QWRGUYRKSA-N 0 1 287.338 3.717 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN2CCC(OC3CCC3)CC2)o1 ZINC000418087398 534049352 /nfs/dbraw/zinc/04/93/52/534049352.db2.gz CANWKAOYGPBELA-CXAGYDPISA-N 0 1 289.419 3.937 20 0 CHADMN Cc1ccc(CNCc2ccc(-c3ccncc3)cc2)nc1 ZINC000344467393 534071025 /nfs/dbraw/zinc/07/10/25/534071025.db2.gz CTSVCZVWHSDVLL-UHFFFAOYSA-N 0 1 289.382 3.742 20 0 CHADMN COc1ccccc1C[C@@H](C)Nc1cc2c(cn1)CCC2 ZINC000354542187 534105991 /nfs/dbraw/zinc/10/59/91/534105991.db2.gz OYGXFKSSQMYWGT-CYBMUJFWSA-N 0 1 282.387 3.622 20 0 CHADMN CS[C@H]1CC[C@H]1NCc1coc(-c2ccc(C)cc2)n1 ZINC000344957951 534117295 /nfs/dbraw/zinc/11/72/95/534117295.db2.gz TUIXFMSFYWFYBR-CABCVRRESA-N 0 1 288.416 3.634 20 0 CHADMN Cc1ccc(F)cc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000352746214 534158900 /nfs/dbraw/zinc/15/89/00/534158900.db2.gz ZBLJDIRLLQTGEY-MRXNPFEDSA-N 0 1 258.340 3.799 20 0 CHADMN C[C@@H](N(C)Cc1nc2c(s1)C[C@H](C)CC2)C1(C)CC1 ZINC000355085191 534286046 /nfs/dbraw/zinc/28/60/46/534286046.db2.gz XHQQGBHYHAJEFY-VXGBXAGGSA-N 0 1 278.465 3.888 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1ccc2c(c1)CCC2 ZINC000353135306 534328807 /nfs/dbraw/zinc/32/88/07/534328807.db2.gz JBFWEAPRZDTTLQ-UHFFFAOYSA-N 0 1 284.403 3.805 20 0 CHADMN Cc1ccn2c(CN[C@H]3CSc4ccccc43)cnc2c1 ZINC000344432006 534348867 /nfs/dbraw/zinc/34/88/67/534348867.db2.gz DVBUUOAFCZTFRL-HNNXBMFYSA-N 0 1 295.411 3.579 20 0 CHADMN C(=C/c1ccccc1)\CN(Cc1ccncc1)C1CC1 ZINC000299523742 518371025 /nfs/dbraw/zinc/37/10/25/518371025.db2.gz DCIUODRZHMEVLK-QPJJXVBHSA-N 0 1 264.372 3.759 20 0 CHADMN CC=C(CC)C(=O)Nc1cc(-c2ncc[nH]2)ccc1C ZINC000279964624 518504493 /nfs/dbraw/zinc/50/44/93/518504493.db2.gz IWVGWOCVXWOPQW-UUILKARUSA-N 0 1 269.348 3.680 20 0 CHADMN CC(C)(C)C[C@@H](NCc1cc[nH]n1)c1ccccc1 ZINC000037128622 518678568 /nfs/dbraw/zinc/67/85/68/518678568.db2.gz SXAWRILBEMUFNV-OAHLLOKOSA-N 0 1 257.381 3.677 20 0 CHADMN CC(C)(C)c1nnc(CN[C@@H]2CC[C@H]2C2CCC2)s1 ZINC000338003875 519121666 /nfs/dbraw/zinc/12/16/66/519121666.db2.gz WRIKZDXJKSWJRR-NWDGAFQWSA-N 0 1 279.453 3.504 20 0 CHADMN CC(C)(C)n1cc(CN2CCC=C(c3ccco3)C2)cn1 ZINC000289610195 519154848 /nfs/dbraw/zinc/15/48/48/519154848.db2.gz VTESJJQNCGFMOZ-UHFFFAOYSA-N 0 1 285.391 3.520 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cc3c(s2)CCCC3)n1 ZINC000339385009 519228014 /nfs/dbraw/zinc/22/80/14/519228014.db2.gz KBGOQQIKVOPULC-LLVKDONJSA-N 0 1 291.420 3.723 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@]2(C)CCc3ccccc3C2)n1 ZINC000339386389 519234767 /nfs/dbraw/zinc/23/47/67/519234767.db2.gz VTLKHXJZWKFBEN-QAPCUYQASA-N 0 1 299.418 3.562 20 0 CHADMN C=Cn1cc(CNCc2ccc(OC3CCCC3)cc2)cn1 ZINC000278947394 519326019 /nfs/dbraw/zinc/32/60/19/519326019.db2.gz YSVSCDRMPJLSNO-UHFFFAOYSA-N 0 1 297.402 3.595 20 0 CHADMN CC(C)C[C@H](N)c1noc(/C=C/c2c(F)cccc2F)n1 ZINC000339384348 519373343 /nfs/dbraw/zinc/37/33/43/519373343.db2.gz FCUULCZHMPYMMU-YBJDMEARSA-N 0 1 293.317 3.564 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H]2C[C@H]2C2CCCCC2)n1 ZINC000339388771 519379841 /nfs/dbraw/zinc/37/98/41/519379841.db2.gz ALWQMBXEVCDBSB-IHRRRGAJSA-N 0 1 277.412 3.799 20 0 CHADMN CC(C)=CCCNCc1ncc(C(F)(F)F)s1 ZINC000278767750 519414944 /nfs/dbraw/zinc/41/49/44/519414944.db2.gz YBCYTNDDGSKLIH-UHFFFAOYSA-N 0 1 264.316 3.608 20 0 CHADMN CC(C)N(C(=O)CN[C@@H](C)c1ccc(Cl)cc1)C(C)C ZINC000067131855 519556423 /nfs/dbraw/zinc/55/64/23/519556423.db2.gz YZESRKHHDNSUPB-ZDUSSCGKSA-N 0 1 296.842 3.636 20 0 CHADMN CC(C)CC(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC000299152112 519609311 /nfs/dbraw/zinc/60/93/11/519609311.db2.gz QSZOVIZVRJZQHF-UHFFFAOYSA-N 0 1 286.379 3.580 20 0 CHADMN Fc1cc(CNCc2ccc3cc[nH]c3n2)ccc1Cl ZINC000353239597 534441799 /nfs/dbraw/zinc/44/17/99/534441799.db2.gz HSUQPKXZSUCXQL-UHFFFAOYSA-N 0 1 289.741 3.645 20 0 CHADMN CC(C)CCCN[C@H](c1nc(C2CC2)no1)C(C)C ZINC000338454585 519642296 /nfs/dbraw/zinc/64/22/96/519642296.db2.gz JDHHUKBCKCRJMD-ZDUSSCGKSA-N 0 1 265.401 3.670 20 0 CHADMN CC(C)CC[C@H](C)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000236621916 519692114 /nfs/dbraw/zinc/69/21/14/519692114.db2.gz DKSBQVPHKIVXIY-RYUDHWBXSA-N 0 1 267.417 3.842 20 0 CHADMN CC(C)OCCCSc1nc(-c2ccccc2F)n[nH]1 ZINC000125717576 519764826 /nfs/dbraw/zinc/76/48/26/519764826.db2.gz HYFNNGAUTWTYOH-UHFFFAOYSA-N 0 1 295.383 3.518 20 0 CHADMN CC(C)Oc1ccc([C@@H](C)NCc2ccccn2)cc1 ZINC000019957741 519781566 /nfs/dbraw/zinc/78/15/66/519781566.db2.gz AUCLEBNYMVSKHF-CQSZACIVSA-N 0 1 270.376 3.720 20 0 CHADMN CC(C)c1nc(CN2CCC[C@@H]2C2CC2)cs1 ZINC000363384454 519862660 /nfs/dbraw/zinc/86/26/60/519862660.db2.gz KQTYZWBFOWQCBM-CYBMUJFWSA-N 0 1 250.411 3.641 20 0 CHADMN CC(C)n1nccc1CN(C)[C@@H](C)c1ccccc1 ZINC000279678389 520097004 /nfs/dbraw/zinc/09/70/04/520097004.db2.gz PPQVDHPCFOYEES-AWEZNQCLSA-N 0 1 257.381 3.657 20 0 CHADMN CC(C)n1nccc1CN(C)Cc1cccc2[nH]ccc21 ZINC000337235780 520097371 /nfs/dbraw/zinc/09/73/71/520097371.db2.gz LILUQZMMOHKWEO-UHFFFAOYSA-N 0 1 282.391 3.577 20 0 CHADMN CCOCc1ccccc1CNCc1ccc(CC)o1 ZINC000051724293 520213033 /nfs/dbraw/zinc/21/30/33/520213033.db2.gz KIPVNCUJOFSXMO-UHFFFAOYSA-N 0 1 273.376 3.668 20 0 CHADMN Fc1ccc(Cl)cc1CN1CCC[C@@]2(CCCOC2)C1 ZINC000353750396 534476379 /nfs/dbraw/zinc/47/63/79/534476379.db2.gz HXHGUNAWYIOSSJ-MRXNPFEDSA-N 0 1 297.801 3.872 20 0 CHADMN CCO[C@@H](CN[C@@H](C)c1csc(C)n1)c1ccccc1 ZINC000278188415 520313779 /nfs/dbraw/zinc/31/37/79/520313779.db2.gz BWLYXDYSFHMIQM-LRDDRELGSA-N 0 1 290.432 3.880 20 0 CHADMN CC1(C)CCCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000151402995 520329486 /nfs/dbraw/zinc/32/94/86/520329486.db2.gz YYMHGMAYKZJTDZ-UHFFFAOYSA-N 0 1 262.328 3.589 20 0 CHADMN CCCCN(C(=O)c1cnc(C)[nH]1)[C@H](C)c1ccccc1 ZINC000339237326 520362460 /nfs/dbraw/zinc/36/24/60/520362460.db2.gz XOYVEHJIQIGUOE-CYBMUJFWSA-N 0 1 285.391 3.722 20 0 CHADMN CC1(C)CCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000076014423 520381579 /nfs/dbraw/zinc/38/15/79/520381579.db2.gz CXZZPKMHQBSIEY-UHFFFAOYSA-N 0 1 256.349 3.574 20 0 CHADMN CCCOc1ccc([C@H](C)N[C@H](C)c2nccnc2C)cc1 ZINC000275945797 520428254 /nfs/dbraw/zinc/42/82/54/520428254.db2.gz ZWUZUSYSCNSOTF-DZGCQCFKSA-N 0 1 299.418 3.986 20 0 CHADMN CCCOc1cccc(-c2nc([C@@H](N)CC(C)C)no2)c1 ZINC000339389370 520438633 /nfs/dbraw/zinc/43/86/33/520438633.db2.gz PCVFHDWXINUOQJ-AWEZNQCLSA-N 0 1 289.379 3.571 20 0 CHADMN CCCCN(CCCC)C(=O)c1cccc2[nH]c(C)nc21 ZINC000338441445 520491471 /nfs/dbraw/zinc/49/14/71/520491471.db2.gz RLCACQHDLYGZJC-UHFFFAOYSA-N 0 1 287.407 3.914 20 0 CHADMN CCCCN(CCOC)Cc1coc(-c2cccs2)n1 ZINC000068852129 520536159 /nfs/dbraw/zinc/53/61/59/520536159.db2.gz ASHDKBBVFHUWCB-UHFFFAOYSA-N 0 1 294.420 3.652 20 0 CHADMN CC1(C)C[C@H]1NCc1csc(-c2ccsc2)n1 ZINC000340412652 520570596 /nfs/dbraw/zinc/57/05/96/520570596.db2.gz AICFFBAQOLULQO-LLVKDONJSA-N 0 1 264.419 3.760 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1Cc1ncnn1-c1ccccc1 ZINC000337129387 520673253 /nfs/dbraw/zinc/67/32/53/520673253.db2.gz BETLPEMTTBWBDE-NVXWUHKLSA-N 0 1 298.434 3.668 20 0 CHADMN c1coc(-c2ncc(CN3CCC34CCC4)s2)c1 ZINC000336461465 534513841 /nfs/dbraw/zinc/51/38/41/534513841.db2.gz KANXRIHYRALBQA-UHFFFAOYSA-N 0 1 260.362 3.532 20 0 CHADMN CCC[C@@H](NCc1ccc(C(=O)OC)o1)c1ccccc1 ZINC000034994201 520780634 /nfs/dbraw/zinc/78/06/34/520780634.db2.gz LBYRLVWTUQWYLQ-OAHLLOKOSA-N 0 1 287.359 3.697 20 0 CHADMN Fc1cccc(Cl)c1CN1CCC[C@@]2(CCCOC2)C1 ZINC000353754839 534521559 /nfs/dbraw/zinc/52/15/59/534521559.db2.gz QOEVHZSEFLEDTN-MRXNPFEDSA-N 0 1 297.801 3.872 20 0 CHADMN CCOc1ccc(CN(Cc2cc(C)no2)C(C)C)cc1 ZINC000299445295 520965417 /nfs/dbraw/zinc/96/54/17/520965417.db2.gz XWSGXTAMGDABEL-UHFFFAOYSA-N 0 1 288.391 3.792 20 0 CHADMN CCOc1ccc(CNCc2ccc(C)cn2)cc1Cl ZINC000341394358 521005461 /nfs/dbraw/zinc/00/54/61/521005461.db2.gz WUHSSISRUWGALP-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1Cc1ncnn1-c1ccccc1 ZINC000337129388 521065888 /nfs/dbraw/zinc/06/58/88/521065888.db2.gz BETLPEMTTBWBDE-RDJZCZTQSA-N 0 1 298.434 3.668 20 0 CHADMN CCCC[C@H](CC)C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000279755536 521164521 /nfs/dbraw/zinc/16/45/21/521164521.db2.gz LNDIHYSTICYHHF-LBPRGKRZSA-N 0 1 286.379 3.627 20 0 CHADMN CCC[C@H](NCc1n[nH]c(C(C)C)n1)c1ccccc1 ZINC000293269916 521165595 /nfs/dbraw/zinc/16/55/95/521165595.db2.gz SNFRXRPBOQUZJV-AWEZNQCLSA-N 0 1 272.396 3.559 20 0 CHADMN CCC[C@H](NCc1ncccc1N(C)C)c1ccsc1 ZINC000289740581 521166588 /nfs/dbraw/zinc/16/65/88/521166588.db2.gz KPHVMMBELORAIT-AWEZNQCLSA-N 0 1 289.448 3.840 20 0 CHADMN CCC[C@H](N[C@H](C)c1nccs1)[C@@H](O)c1ccccc1 ZINC000280170981 521174772 /nfs/dbraw/zinc/17/47/72/521174772.db2.gz RDFVPPCIXITTPT-SNPRPXQTSA-N 0 1 290.432 3.696 20 0 CHADMN c1sc([C@@H]2CN3CCC[C@H]3CO2)nc1C1CCCCC1 ZINC000336632105 534546330 /nfs/dbraw/zinc/54/63/30/534546330.db2.gz HNXASRLBTIUUPQ-ZFWWWQNUSA-N 0 1 292.448 3.727 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1Cc1ncnn1-c1ccccc1 ZINC000337198093 521261390 /nfs/dbraw/zinc/26/13/90/521261390.db2.gz ZHOWWBGMXDWCMH-WBVHZDCISA-N 0 1 298.434 3.668 20 0 CHADMN CCN(Cc1c(F)cccc1F)[C@H]1CCOC(C)(C)C1 ZINC000289690911 521279824 /nfs/dbraw/zinc/27/98/24/521279824.db2.gz GXLZUZNPQLPLTN-LBPRGKRZSA-N 0 1 283.362 3.744 20 0 CHADMN CCC(C)(C)N(C)Cc1nccn1Cc1ccccc1 ZINC000265236515 521307348 /nfs/dbraw/zinc/30/73/48/521307348.db2.gz QHEDHBIXNACPIF-UHFFFAOYSA-N 0 1 271.408 3.552 20 0 CHADMN CCC(C)(C)[C@@H]1CCCN1Cc1ncnn1-c1ccccc1 ZINC000337186444 521361937 /nfs/dbraw/zinc/36/19/37/521361937.db2.gz PIQNWFRNDDKBDY-INIZCTEOSA-N 0 1 298.434 3.668 20 0 CHADMN CCC(CC)(NCc1cc[nH]n1)c1ccc(Cl)cc1 ZINC000088725801 521475035 /nfs/dbraw/zinc/47/50/35/521475035.db2.gz IRUNFLQYHDUJJF-UHFFFAOYSA-N 0 1 277.799 3.868 20 0 CHADMN Cc1occc1CN(C)Cc1ccc2c(c1)CCC2 ZINC000352674850 534565757 /nfs/dbraw/zinc/56/57/57/534565757.db2.gz QPZOJKNNASIGDS-UHFFFAOYSA-N 0 1 255.361 3.709 20 0 CHADMN CCCc1nc(C)c(CNCC2=Cc3ccccc3OC2)o1 ZINC000291687699 521493617 /nfs/dbraw/zinc/49/36/17/521493617.db2.gz IRORTCWKVRWRPP-UHFFFAOYSA-N 0 1 298.386 3.501 20 0 CHADMN CCOc1ncccc1CN[C@@H]1c2ccccc2C[C@H]1C ZINC000151189886 521621443 /nfs/dbraw/zinc/62/14/43/521621443.db2.gz YXKCPCQSRBASTH-DYVFJYSZSA-N 0 1 282.387 3.503 20 0 CHADMN CCOC1CC(N[C@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000279643022 521652102 /nfs/dbraw/zinc/65/21/02/521652102.db2.gz JKQWMJLIGCHGOE-FAFZWHIHSA-N 0 1 296.414 3.637 20 0 CHADMN CCSCCN1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000340901160 521708318 /nfs/dbraw/zinc/70/83/18/521708318.db2.gz SHYFDRUBNPBEBJ-GDBMZVCRSA-N 0 1 279.449 3.510 20 0 CHADMN CCS[C@H](C)c1noc(-c2ccc(O)c(Cl)c2)n1 ZINC000278125134 521728664 /nfs/dbraw/zinc/72/86/64/521728664.db2.gz PHYYGGOJMADRSW-SSDOTTSWSA-N 0 1 284.768 3.910 20 0 CHADMN CCSc1cccc(CNCc2cnn(C(C)C)c2)c1 ZINC000291706073 521761372 /nfs/dbraw/zinc/76/13/72/521761372.db2.gz KRVGZXDPIOSHPK-UHFFFAOYSA-N 0 1 289.448 3.866 20 0 CHADMN COC(=O)c1cc(CN[C@@H](C)c2ccccc2C)oc1C ZINC000034994120 521860691 /nfs/dbraw/zinc/86/06/91/521860691.db2.gz WMSILOZWLAFFBG-LBPRGKRZSA-N 0 1 287.359 3.534 20 0 CHADMN COc1c(O)cccc1CNCc1ccc(C2CCC2)cc1 ZINC000276985354 521883224 /nfs/dbraw/zinc/88/32/24/521883224.db2.gz FZJRSQWNVXHXOI-UHFFFAOYSA-N 0 1 297.398 3.958 20 0 CHADMN CN(C)Cc1ccc(NC[C@H]2CCC=CO2)cc1Cl ZINC000280173455 521911026 /nfs/dbraw/zinc/91/10/26/521911026.db2.gz GESWIZORZVLFLV-CQSZACIVSA-N 0 1 280.799 3.506 20 0 CHADMN COC(=O)c1ccc(CN2CCC[C@H]2c2cccc(C)c2)o1 ZINC000340557012 522008743 /nfs/dbraw/zinc/00/87/43/522008743.db2.gz KGJYNBOAJLWOLG-INIZCTEOSA-N 0 1 299.370 3.712 20 0 CHADMN COC(=O)c1ccc(CNCc2ccc(C3CCC3)cc2)o1 ZINC000277034084 522036048 /nfs/dbraw/zinc/03/60/48/522036048.db2.gz MYAVZZUQLWRXKM-UHFFFAOYSA-N 0 1 299.370 3.624 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2ccsc2C)n[nH]1 ZINC000339373258 522051549 /nfs/dbraw/zinc/05/15/49/522051549.db2.gz LHWUSTDSXDMLJP-VHSXEESVSA-N 0 1 278.425 3.539 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2ccc(C)cc2C)n[nH]1 ZINC000277413733 522052992 /nfs/dbraw/zinc/05/29/92/522052992.db2.gz LVJRRKIQADACHK-JSGCOSHPSA-N 0 1 286.423 3.786 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCC=Cc2ccccc2)n[nH]1 ZINC000277388743 522054198 /nfs/dbraw/zinc/05/41/98/522054198.db2.gz JIZMKICFRRCXAP-PMGKTQQESA-N 0 1 284.407 3.682 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2ccc(F)cc2)n[nH]1 ZINC000277345213 522056064 /nfs/dbraw/zinc/05/60/64/522056064.db2.gz VHCNYLOVOZWOBI-TUAOUCFPSA-N 0 1 290.386 3.869 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2ccc(C)o2)n[nH]1 ZINC000277072977 522057043 /nfs/dbraw/zinc/05/70/43/522057043.db2.gz FBOLZQCTBYNJMV-DLOVCJGASA-N 0 1 276.384 3.631 20 0 CHADMN CCc1nc(C)c(CNCc2ccc3nc(C)ccc3c2)o1 ZINC000291653387 522203613 /nfs/dbraw/zinc/20/36/13/522203613.db2.gz CYIXBTDQDKSXMU-UHFFFAOYSA-N 0 1 295.386 3.692 20 0 CHADMN COc1cc(C)cc(CN[C@H](C)c2ccc(Cl)cn2)c1 ZINC000274964387 522242785 /nfs/dbraw/zinc/24/27/85/522242785.db2.gz XBGVYTFVCAPQGP-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CN(C)c1cccnc1CN[C@@H]1CC(C)(C)c2ccccc21 ZINC000289714757 522298954 /nfs/dbraw/zinc/29/89/54/522298954.db2.gz JHEZCVUFNUKETI-MRXNPFEDSA-N 0 1 295.430 3.660 20 0 CHADMN CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263573518 522402492 /nfs/dbraw/zinc/40/24/92/522402492.db2.gz MLSYHLNNMSQTBB-CZUORRHYSA-N 0 1 275.392 3.785 20 0 CHADMN CC[C@@H](C)c1nnc([C@H](C)NC2CC(c3ccccc3)C2)[nH]1 ZINC000277211235 522438510 /nfs/dbraw/zinc/43/85/10/522438510.db2.gz KHRAKRWMTDMPCP-SQHUISNBSA-N 0 1 298.434 3.915 20 0 CHADMN COc1cc(CN[C@@H](C)c2cnc3ccsc3c2)ccn1 ZINC000068692004 522476607 /nfs/dbraw/zinc/47/66/07/522476607.db2.gz WBRVBMXIYVXXEF-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN CC[C@H](NCc1cc(C(=O)OC)c(C)o1)c1ccccc1 ZINC000051627034 522639432 /nfs/dbraw/zinc/63/94/32/522639432.db2.gz HUFGXXHNNNRZEO-INIZCTEOSA-N 0 1 287.359 3.616 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccccn1)c1ccc2c(c1)CCO2 ZINC000037219009 522699753 /nfs/dbraw/zinc/69/97/53/522699753.db2.gz PQBAMYZCVCSIJR-BBRMVZONSA-N 0 1 282.387 3.818 20 0 CHADMN COC[C@H](NCc1scnc1C)c1ccc(Cl)cc1 ZINC000278790787 522756912 /nfs/dbraw/zinc/75/69/12/522756912.db2.gz QOWWWLRWVWNCNX-ZDUSSCGKSA-N 0 1 296.823 3.582 20 0 CHADMN COC[C@H](N[C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000291166063 522766645 /nfs/dbraw/zinc/76/66/45/522766645.db2.gz JLWODEHNJSRGKP-ROUUACIJSA-N 0 1 297.398 3.747 20 0 CHADMN CC[C@@H](NCc1ccc(C)nc1)c1ccccc1F ZINC000163470442 522874521 /nfs/dbraw/zinc/87/45/21/522874521.db2.gz KPAHSCGHNJTHOU-MRXNPFEDSA-N 0 1 258.340 3.770 20 0 CHADMN CCc1noc(CC)c1CN[C@@H](c1cccnc1)C1CCC1 ZINC000281024168 522893533 /nfs/dbraw/zinc/89/35/33/522893533.db2.gz ZONFXLHKOHVXMO-GOSISDBHSA-N 0 1 299.418 3.825 20 0 CHADMN CCc1noc(CC)c1CN[C@H](c1cccnc1)C1CCC1 ZINC000281024172 522897015 /nfs/dbraw/zinc/89/70/15/522897015.db2.gz ZONFXLHKOHVXMO-SFHVURJKSA-N 0 1 299.418 3.825 20 0 CHADMN CC[C@@H](NCc1scnc1C)c1ccccc1F ZINC000163837337 522898011 /nfs/dbraw/zinc/89/80/11/522898011.db2.gz WTDSDMKJJXYKLU-CYBMUJFWSA-N 0 1 264.369 3.832 20 0 CHADMN CCc1noc([C@@H](C)N[C@@H]2CCC[C@H]2c2ccccc2)n1 ZINC000277837065 522908316 /nfs/dbraw/zinc/90/83/16/522908316.db2.gz RYOQERRXYDGYQW-VHDGCEQUSA-N 0 1 285.391 3.619 20 0 CHADMN CN(CCOc1ccc(F)cc1Cl)Cc1ccoc1 ZINC000354556844 522909206 /nfs/dbraw/zinc/90/92/06/522909206.db2.gz DHTJIHABCYGLFL-UHFFFAOYSA-N 0 1 283.730 3.583 20 0 CHADMN COc1cc([C@@H](C)N[C@H](C)c2ccccc2)c(F)cn1 ZINC000286967386 522910024 /nfs/dbraw/zinc/91/00/24/522910024.db2.gz NPJRTXJPWFNXEK-VXGBXAGGSA-N 0 1 274.339 3.641 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccc(Cl)cn1)c1ccncc1 ZINC000274865597 522910695 /nfs/dbraw/zinc/91/06/95/522910695.db2.gz DTWJHLLPAWFZPO-SMDDNHRTSA-N 0 1 275.783 3.932 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1cnn(CC(C)C)c1 ZINC000290353250 522968070 /nfs/dbraw/zinc/96/80/70/522968070.db2.gz GGIHKNJLJHHWPZ-QGZVFWFLSA-N 0 1 286.423 3.517 20 0 CHADMN COCc1ccc(CN(C)[C@@H](C)c2ccc(OC)cc2)o1 ZINC000125797648 522969899 /nfs/dbraw/zinc/96/98/99/522969899.db2.gz CQQGTYOYXDDWQF-ZDUSSCGKSA-N 0 1 289.375 3.628 20 0 CHADMN COCc1ccc(CNCc2ccc3sccc3c2)o1 ZINC000289442487 522986915 /nfs/dbraw/zinc/98/69/15/522986915.db2.gz ATLVLZSXECSOEF-UHFFFAOYSA-N 0 1 287.384 3.931 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2ccc(Cl)cn2)cc1 ZINC000274907564 522990841 /nfs/dbraw/zinc/99/08/41/522990841.db2.gz MKGFYYOXSRDXRY-LBPRGKRZSA-N 0 1 290.794 3.732 20 0 CHADMN CC[C@@H](OC1CCCC1)c1nc([C@@H](N)CC(C)C)no1 ZINC000339387785 523031810 /nfs/dbraw/zinc/03/18/10/523031810.db2.gz PESMAMSYIPSFBI-QWHCGFSZSA-N 0 1 281.400 3.526 20 0 CHADMN CC[C@H]1CCCC[C@H]1N(C)Cc1ncnn1-c1ccccc1 ZINC000337206628 523055243 /nfs/dbraw/zinc/05/52/43/523055243.db2.gz MXSHJSHNLFAJRI-DOTOQJQBSA-N 0 1 298.434 3.668 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1sccc1OC ZINC000290553749 523121739 /nfs/dbraw/zinc/12/17/39/523121739.db2.gz RYJKKQIDCZVVBY-ZDUSSCGKSA-N 0 1 276.405 3.735 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1N(C)Cc1ncnn1-c1ccccc1 ZINC000337206631 523187242 /nfs/dbraw/zinc/18/72/42/523187242.db2.gz MXSHJSHNLFAJRI-WBVHZDCISA-N 0 1 298.434 3.668 20 0 CHADMN COCCCC[C@@H](NCc1conc1C)c1ccccc1 ZINC000339376452 523188497 /nfs/dbraw/zinc/18/84/97/523188497.db2.gz IPQMOTISSCGNAO-QGZVFWFLSA-N 0 1 288.391 3.631 20 0 CHADMN Cc1cccc(CN(C)C/C=C/c2ccc(F)cc2)n1 ZINC000353748735 534701543 /nfs/dbraw/zinc/70/15/43/534701543.db2.gz CYGFBRKVHHDLHD-GQCTYLIASA-N 0 1 270.351 3.674 20 0 CHADMN CN(Cc1ccco1)Cc1cccc(C(F)F)c1 ZINC000279312909 523434274 /nfs/dbraw/zinc/43/42/74/523434274.db2.gz DZRUBQGGCKOLPD-UHFFFAOYSA-N 0 1 251.276 3.849 20 0 CHADMN CN(Cc1coc(-c2ccc(F)cc2)n1)CC1CCC1 ZINC000111298303 523521797 /nfs/dbraw/zinc/52/17/97/523521797.db2.gz NZAFQIZUUZRQSN-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN CN(Cc1csc(-c2ccccn2)n1)CC(C)(C)C ZINC000339258308 523522674 /nfs/dbraw/zinc/52/26/74/523522674.db2.gz TWKWNVCLRYGEEM-UHFFFAOYSA-N 0 1 275.421 3.683 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000297523989 523549420 /nfs/dbraw/zinc/54/94/20/523549420.db2.gz DDQVJHQUBKNBKY-LSDHHAIUSA-N 0 1 271.408 3.932 20 0 CHADMN CCn1nc(CN[C@@H](C)c2ccccc2)c2ccccc21 ZINC000089173893 523677703 /nfs/dbraw/zinc/67/77/03/523677703.db2.gz MJFQDXQPQVGWMC-AWEZNQCLSA-N 0 1 279.387 3.907 20 0 CHADMN CCn1nc(CN[C@H](C)c2ccccc2)c2ccccc21 ZINC000089173894 523679415 /nfs/dbraw/zinc/67/94/15/523679415.db2.gz MJFQDXQPQVGWMC-CQSZACIVSA-N 0 1 279.387 3.907 20 0 CHADMN CO[C@H](C)CN(C)Cc1cnc(-c2ccc(C)cc2)s1 ZINC000289744122 523878163 /nfs/dbraw/zinc/87/81/63/523878163.db2.gz QILQXJVNRIDFKE-CYBMUJFWSA-N 0 1 290.432 3.585 20 0 CHADMN Cc1ncc(CN[C@H]2CCCc3c(F)cccc32)s1 ZINC000336213397 534746520 /nfs/dbraw/zinc/74/65/20/534746520.db2.gz PRQLXFGWQNFSKY-HNNXBMFYSA-N 0 1 276.380 3.758 20 0 CHADMN Cc1ncc(CN[C@H]2C[C@H](C)c3c2cccc3C)o1 ZINC000335276348 534746750 /nfs/dbraw/zinc/74/67/50/534746750.db2.gz HILJZLUCDPFZDH-NHYWBVRUSA-N 0 1 256.349 3.630 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2ccc(C)cc2)nc1 ZINC000271844876 524009335 /nfs/dbraw/zinc/00/93/35/524009335.db2.gz UNCPSSQGLJMFKP-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)o1 ZINC000277188954 524047114 /nfs/dbraw/zinc/04/71/14/524047114.db2.gz IMJTXZDWISKFOC-WOPDTQHZSA-N 0 1 290.411 3.885 20 0 CHADMN COc1ccc(CNCc2ccc(Cl)s2)c(OC)c1 ZINC000070140800 524072908 /nfs/dbraw/zinc/07/29/08/524072908.db2.gz AQAPUIMWSFWTCU-UHFFFAOYSA-N 0 1 297.807 3.709 20 0 CHADMN Cc1ccc2oc(CN(Cc3ccco3)C[C@H](C)O)cc2c1 ZINC000337190743 524094388 /nfs/dbraw/zinc/09/43/88/524094388.db2.gz RYSSPQGIDAUZLG-AWEZNQCLSA-N 0 1 299.370 3.717 20 0 CHADMN COc1cccc([C@@H]2CCCN2Cc2ccnn2C(C)C)c1 ZINC000279576937 524118674 /nfs/dbraw/zinc/11/86/74/524118674.db2.gz GMUDRHWLXVNWRF-SFHVURJKSA-N 0 1 299.418 3.810 20 0 CHADMN COc1ccc(F)c(CN[C@H](C)c2ccc3n[nH]cc3c2)c1 ZINC000339397976 524281689 /nfs/dbraw/zinc/28/16/89/524281689.db2.gz QWHATAMBWUCCOH-LLVKDONJSA-N 0 1 299.349 3.561 20 0 CHADMN COc1ccc(F)cc1[C@H](C)NCc1ccccc1 ZINC000037089833 524332959 /nfs/dbraw/zinc/33/29/59/524332959.db2.gz CZKWKINGIMMLPT-LBPRGKRZSA-N 0 1 259.324 3.685 20 0 CHADMN C[C@H](CN1CCCC[C@H]1c1ncc[nH]1)c1ccc(F)cc1 ZINC000275766907 524338581 /nfs/dbraw/zinc/33/85/81/524338581.db2.gz VOIIJGAWYOEHDC-CJNGLKHVSA-N 0 1 287.382 3.880 20 0 CHADMN Cc1ccc(CN(C)Cc2ccccn2)cc1Cl ZINC000278302513 524395417 /nfs/dbraw/zinc/39/54/17/524395417.db2.gz CZUIESXYGJPPID-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1ccc(CN(Cc2cc(C)ncn2)C(C)C)s1 ZINC000291991556 524418256 /nfs/dbraw/zinc/41/82/56/524418256.db2.gz AJNVQMXWYPUBHL-UHFFFAOYSA-N 0 1 275.421 3.566 20 0 CHADMN Cc1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1F ZINC000292893972 524470872 /nfs/dbraw/zinc/47/08/72/524470872.db2.gz ZIBRHDXAINVEMM-KGLIPLIRSA-N 0 1 269.310 3.611 20 0 CHADMN C[C@H](CNCc1nnc(C(C)(C)C)s1)c1ccccc1 ZINC000278463852 524490357 /nfs/dbraw/zinc/49/03/57/524490357.db2.gz FRBGQLPJHPQJPC-GFCCVEGCSA-N 0 1 289.448 3.729 20 0 CHADMN Cc1cccc(NC(=O)c2cn[nH]c2C(C)(C)C)c1C ZINC000292745894 524658227 /nfs/dbraw/zinc/65/82/27/524658227.db2.gz REEFTBIXTBNVPJ-UHFFFAOYSA-N 0 1 271.364 3.576 20 0 CHADMN Cc1cc(CN(C)CCc2cccc3ccccc32)no1 ZINC000263786111 524660672 /nfs/dbraw/zinc/66/06/72/524660672.db2.gz ZZFOIIUMAYRQMG-UHFFFAOYSA-N 0 1 280.371 3.811 20 0 CHADMN Cc1cc(CN(C)[C@H](C)Cc2ccc(Cl)cc2)no1 ZINC000076732585 524665549 /nfs/dbraw/zinc/66/55/49/524665549.db2.gz RBBVSOOVFKKEOA-LLVKDONJSA-N 0 1 278.783 3.699 20 0 CHADMN Cc1cccc(N[C@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000292351341 524698362 /nfs/dbraw/zinc/69/83/62/524698362.db2.gz YGQXHTROLYWPEM-HNNXBMFYSA-N 0 1 270.380 3.847 20 0 CHADMN Cc1cc(CNCc2cnc(C(C)(C)C)nc2)ccc1F ZINC000284332293 524761676 /nfs/dbraw/zinc/76/16/76/524761676.db2.gz KWXWFAWKKQXVFI-UHFFFAOYSA-N 0 1 287.382 3.511 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H](C)c1cncs1 ZINC000128459277 524783095 /nfs/dbraw/zinc/78/30/95/524783095.db2.gz HDORGLOMACNZOI-WDEREUQCSA-N 0 1 262.378 3.564 20 0 CHADMN C[C@@H](CO)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000037258488 524805845 /nfs/dbraw/zinc/80/58/45/524805845.db2.gz YEUPWOOQUQUMKW-BQBZGAKWSA-N 0 1 282.598 3.678 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN(CC2=CCCOC2)C2CC2)o1 ZINC000129855213 524860165 /nfs/dbraw/zinc/86/01/65/524860165.db2.gz DNKAQJFGCHKEFB-GUYCJALGSA-N 0 1 287.403 3.714 20 0 CHADMN Cc1cccc([C@H]2CCCCC[N@H+]2CCCC(=O)[O-])c1 ZINC000118006379 524887506 /nfs/dbraw/zinc/88/75/06/524887506.db2.gz XRESAXSFYZTJMP-MRXNPFEDSA-N 0 1 275.392 3.777 20 0 CHADMN COc1ccc(OC)c([C@H](C)NCc2cccc(F)c2)c1 ZINC000020306490 524905593 /nfs/dbraw/zinc/90/55/93/524905593.db2.gz TUMOGWOXTIMINW-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN Cc1cc(Cl)nc(CNCc2cc(C)c(O)c(C)c2)c1 ZINC000289896318 524916550 /nfs/dbraw/zinc/91/65/50/524916550.db2.gz XEXZXMBPVQYMJA-UHFFFAOYSA-N 0 1 290.794 3.656 20 0 CHADMN COc1cncc(CN[C@H](C)c2ccc(Cl)cc2)c1 ZINC000289767007 524922158 /nfs/dbraw/zinc/92/21/58/524922158.db2.gz IHUSAQXYXPLQBV-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN COc1cncc(CN(Cc2cccs2)C(C)C)c1 ZINC000290517688 524922615 /nfs/dbraw/zinc/92/26/15/524922615.db2.gz YUWXORUOUKUZDU-UHFFFAOYSA-N 0 1 276.405 3.562 20 0 CHADMN Cc1cccc2nc(CNC(=O)c3occc3C(C)C)[nH]c21 ZINC000339947517 524988938 /nfs/dbraw/zinc/98/89/38/524988938.db2.gz SOKYJVMTWXFFNC-UHFFFAOYSA-N 0 1 297.358 3.518 20 0 CHADMN Cc1ccccc1C1CC(NCc2noc3c2CCCC3)C1 ZINC000289994530 525090491 /nfs/dbraw/zinc/09/04/91/525090491.db2.gz COEFBYKBGBDJAF-UHFFFAOYSA-N 0 1 296.414 3.898 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2ccc(Cl)nc2)cc1 ZINC000069219556 525129284 /nfs/dbraw/zinc/12/92/84/525129284.db2.gz WUGMXXMZKMWXFI-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN C[C@@H]1C[C@@H]1[C@H](NCc1ccn(C)n1)c1ccc(Cl)cc1 ZINC000266154194 525332256 /nfs/dbraw/zinc/33/22/56/525332256.db2.gz LJAFBRUXILZDLD-XFBWCDHKSA-N 0 1 289.810 3.560 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccccc2N(C)C)o1 ZINC000263856268 525342444 /nfs/dbraw/zinc/34/24/44/525342444.db2.gz SAPMQUQYTQLFMN-CJNGLKHVSA-N 0 1 284.403 3.759 20 0 CHADMN Cc1ccc(O)c(CN[C@@H](C)c2ccc(F)cc2Cl)n1 ZINC000130319012 525352322 /nfs/dbraw/zinc/35/23/22/525352322.db2.gz JGJZGCVCAAWSKE-JTQLQIEISA-N 0 1 294.757 3.739 20 0 CHADMN C[C@H](NC[C@@H]1CC=CCC1)c1nc(Cc2ccccc2)no1 ZINC000237551153 525384307 /nfs/dbraw/zinc/38/43/07/525384307.db2.gz NSGJNAQQCCITGI-GOEBONIOSA-N 0 1 297.402 3.667 20 0 CHADMN Cc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263575966 525386190 /nfs/dbraw/zinc/38/61/90/525386190.db2.gz PTORNXSWFAXQDG-QGZVFWFLSA-N 0 1 295.382 3.683 20 0 CHADMN C[C@@H](NC1CC(F)(F)C1)c1ccccc1Br ZINC000277234776 525397327 /nfs/dbraw/zinc/39/73/27/525397327.db2.gz ZBORHCQJOSODGJ-MRVPVSSYSA-N 0 1 290.151 3.897 20 0 CHADMN Cc1ccccc1[C@H](C)N(C)C(=O)c1cc(C(C)C)[nH]n1 ZINC000299533136 525403999 /nfs/dbraw/zinc/40/39/99/525403999.db2.gz LJVDYEQDIZKRHW-ZDUSSCGKSA-N 0 1 285.391 3.675 20 0 CHADMN C[C@H](NCc1ccc(Cl)o1)c1ccc2n[nH]cc2c1 ZINC000353112212 525443276 /nfs/dbraw/zinc/44/32/76/525443276.db2.gz PVZGUCHXCKPTFU-VIFPVBQESA-N 0 1 275.739 3.660 20 0 CHADMN C[C@H](NCc1ccc(OC2CCCC2)cc1)c1ccnn1C ZINC000278886286 525447992 /nfs/dbraw/zinc/44/79/92/525447992.db2.gz YGEJUSQXDRTSFM-AWEZNQCLSA-N 0 1 299.418 3.592 20 0 CHADMN Cc1ccc(OCc2nc(CNC3CCC3)cs2)cc1 ZINC000264987472 525448177 /nfs/dbraw/zinc/44/81/77/525448177.db2.gz WIRQHCGDOFHYBO-UHFFFAOYSA-N 0 1 288.416 3.673 20 0 CHADMN Cc1cc([C@@H](C)NCCCSc2ccccc2)no1 ZINC000340521854 525461974 /nfs/dbraw/zinc/46/19/74/525461974.db2.gz WXQJDFPIJVWXKZ-CYBMUJFWSA-N 0 1 276.405 3.816 20 0 CHADMN Cc1cc([C@@H](C)NC[C@H](C)Oc2cccc(Cl)c2)no1 ZINC000290567734 525465211 /nfs/dbraw/zinc/46/52/11/525465211.db2.gz DZSRGBVEDJZUTD-NWDGAFQWSA-N 0 1 294.782 3.755 20 0 CHADMN C[C@H](NCc1ccco1)c1cccc(N2CCCC2)c1 ZINC000088764985 525468325 /nfs/dbraw/zinc/46/83/25/525468325.db2.gz IMZPUNSZHXJFDN-AWEZNQCLSA-N 0 1 270.376 3.731 20 0 CHADMN Cc1cc([C@@H](C)NCc2ncccc2N(C)C)c(C)s1 ZINC000289945773 525468908 /nfs/dbraw/zinc/46/89/08/525468908.db2.gz WFJHBCLMPBUQJV-GFCCVEGCSA-N 0 1 289.448 3.677 20 0 CHADMN C[C@H](NCc1ccoc1)c1cccc(OC(F)F)c1 ZINC000062103652 525472530 /nfs/dbraw/zinc/47/25/30/525472530.db2.gz ZYKLEIPBLBUEDE-JTQLQIEISA-N 0 1 267.275 3.732 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2C[C@H](c3ccccc3F)C2)no1 ZINC000290552243 525477788 /nfs/dbraw/zinc/47/77/88/525477788.db2.gz DDHZVVYNSDRPKL-JHJVBQTASA-N 0 1 274.339 3.719 20 0 CHADMN Cc1cc([C@H](C)N[C@H](CCO)c2ccccc2)c(C)o1 ZINC000278897121 525530450 /nfs/dbraw/zinc/53/04/50/525530450.db2.gz ZDARTGAVVWXEAO-SUMWQHHRSA-N 0 1 273.376 3.671 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2cn(C)nc2C)cs1 ZINC000297551235 525530536 /nfs/dbraw/zinc/53/05/36/525530536.db2.gz FPFPXXABTCHIDZ-WDEREUQCSA-N 0 1 263.410 3.510 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccco1)c1cccc(C2CC2)c1 ZINC000340362649 525540424 /nfs/dbraw/zinc/54/04/24/525540424.db2.gz QILCNGYUKFNWLE-GUYCJALGSA-N 0 1 285.387 3.931 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccccc1)c1ccc(Cl)cc1 ZINC000062999138 525543820 /nfs/dbraw/zinc/54/38/20/525543820.db2.gz FOPWRQRGJLMNGK-LRDDRELGSA-N 0 1 275.779 3.724 20 0 CHADMN C[C@@H](NCc1ccncc1)c1ccccc1OC(F)F ZINC000020140002 525546803 /nfs/dbraw/zinc/54/68/03/525546803.db2.gz AJFIQYTZPSJWPD-LLVKDONJSA-N 0 1 278.302 3.534 20 0 CHADMN Cc1cccnc1[C@H](NCc1ccc(F)nc1C)C(C)C ZINC000278594458 525553214 /nfs/dbraw/zinc/55/32/14/525553214.db2.gz ZYYSDHKUOIZYBI-MRXNPFEDSA-N 0 1 287.382 3.719 20 0 CHADMN C[C@@H](NCc1cncs1)c1ccc(Cl)cc1 ZINC000054770129 525554367 /nfs/dbraw/zinc/55/43/67/525554367.db2.gz ZRAQQQGOHOQTMJ-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN CSCC[C@H](C)N(C)Cc1coc(-c2ccccc2)n1 ZINC000072666014 525564831 /nfs/dbraw/zinc/56/48/31/525564831.db2.gz QEDQLAQRJDMRLR-ZDUSSCGKSA-N 0 1 290.432 3.915 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@H](C)c1ccsc1)CCO2 ZINC000061361642 525578825 /nfs/dbraw/zinc/57/88/25/525578825.db2.gz TVFTZLRDWBRCLV-ABAIWWIYSA-N 0 1 289.400 3.931 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)CC(C)(C)C(F)(F)F ZINC000280846882 525585789 /nfs/dbraw/zinc/58/57/89/525585789.db2.gz CNWPKHZPRIZXSO-UHFFFAOYSA-N 0 1 299.296 3.788 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1cccnc1 ZINC000037108070 525626790 /nfs/dbraw/zinc/62/67/90/525626790.db2.gz IJSZYQJBWQWYCP-HNNXBMFYSA-N 0 1 270.376 3.786 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccc(C)c(F)c2)c1 ZINC000338642260 525634023 /nfs/dbraw/zinc/63/40/23/525634023.db2.gz IPXSLYTXRWLFTD-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccccn1 ZINC000089214110 525641866 /nfs/dbraw/zinc/64/18/66/525641866.db2.gz HGWIORKCIBBHAY-SJKOYZFVSA-N 0 1 270.351 3.949 20 0 CHADMN C[C@@H](N[C@H]1CCCc2ccc(O)cc21)c1ccccn1 ZINC000235206224 525681974 /nfs/dbraw/zinc/68/19/74/525681974.db2.gz SSYYSQFEGFGOML-PXAZEXFGSA-N 0 1 268.360 3.515 20 0 CHADMN Cc1ccnc(NC[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000276949853 525693281 /nfs/dbraw/zinc/69/32/81/525693281.db2.gz BOGKSYUZCQANPP-RDJZCZTQSA-N 0 1 268.360 3.580 20 0 CHADMN Cc1ccncc1CCCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000366537150 525730117 /nfs/dbraw/zinc/73/01/17/525730117.db2.gz VPANLLGVMYBCTD-GOSISDBHSA-N 0 1 295.430 3.801 20 0 CHADMN Cc1ccc([C@@H](C)NCc2n[nH]c(C(C)(C)C)n2)c(C)c1 ZINC000292854715 525735539 /nfs/dbraw/zinc/73/55/39/525735539.db2.gz GJUSHMPVKAZORM-CYBMUJFWSA-N 0 1 286.423 3.570 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc3c(c2)CCO3)o1 ZINC000037280769 525747684 /nfs/dbraw/zinc/74/76/84/525747684.db2.gz SACBLAKAXFTUFV-CHWSQXEVSA-N 0 1 271.360 3.935 20 0 CHADMN Cc1ccncc1CN[C@H]1CCOc2c(Cl)cccc21 ZINC000280055354 525749972 /nfs/dbraw/zinc/74/99/72/525749972.db2.gz WJNXZSJNGSREEI-HNNXBMFYSA-N 0 1 288.778 3.657 20 0 CHADMN C[C@@H](O)CCCN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000354707408 525752569 /nfs/dbraw/zinc/75/25/69/525752569.db2.gz KKNNUUUESPQFFO-MLGOLLRUSA-N 0 1 283.362 3.653 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H]1CCOc2c(F)cccc21 ZINC000276925775 525768017 /nfs/dbraw/zinc/76/80/17/525768017.db2.gz NDWQCZJOBMXJCF-LRDDRELGSA-N 0 1 286.350 3.704 20 0 CHADMN Cc1ccc([C@@H](N[C@@H](C)c2nccnc2C)C2CC2)cc1 ZINC000275694234 525774587 /nfs/dbraw/zinc/77/45/87/525774587.db2.gz KYRFEVRZZWVWQV-KBXCAEBGSA-N 0 1 281.403 3.895 20 0 CHADMN Cc1ccc([C@@H]2CCCCCN2Cc2c(C)cnn2C)o1 ZINC000290028716 525796574 /nfs/dbraw/zinc/79/65/74/525796574.db2.gz NFTGVPSDKZPSBZ-HNNXBMFYSA-N 0 1 287.407 3.747 20 0 CHADMN Cc1ccoc1CNC1(c2cccc(F)c2)CCOCC1 ZINC000266193263 525804689 /nfs/dbraw/zinc/80/46/89/525804689.db2.gz ZBQXFJDHEYXJCR-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN Cc1ccsc1CN[C@@H](C)c1ccc(Cl)cn1 ZINC000274895950 525860172 /nfs/dbraw/zinc/86/01/72/525860172.db2.gz KGYZCQAOQKIRFV-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN Cc1c([C@H](C)N[C@@H]2CCc3c2cccc3O)cnn1C(C)C ZINC000276420321 525921710 /nfs/dbraw/zinc/92/17/10/525921710.db2.gz VQWGKUDNHSOROH-YVEFUNNKSA-N 0 1 299.418 3.816 20 0 CHADMN Cc1ccc([C@H](NCc2nccs2)C2CC2)cc1 ZINC000041012683 525970549 /nfs/dbraw/zinc/97/05/49/525970549.db2.gz XHJAWSVYXMXXGC-HNNXBMFYSA-N 0 1 258.390 3.692 20 0 CHADMN Cc1c[nH]nc1CN(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000290551870 526019055 /nfs/dbraw/zinc/01/90/55/526019055.db2.gz WVODOIGEWOKTGR-AWEZNQCLSA-N 0 1 269.392 3.519 20 0 CHADMN Cc1cnc(CN2CCC[C@H]2c2cccc(C)c2C)nc1 ZINC000340822709 526021083 /nfs/dbraw/zinc/02/10/83/526021083.db2.gz SIRFKWDQAFVMDI-KRWDZBQOSA-N 0 1 281.403 3.739 20 0 CHADMN Cc1cn[nH]c1CN1CCC(=Cc2ccccc2F)CC1 ZINC000290460205 526022241 /nfs/dbraw/zinc/02/22/41/526022241.db2.gz PJXVYDJFLHPTHO-UHFFFAOYSA-N 0 1 285.366 3.537 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC([C@H]2CCOC2)CC1 ZINC000365037056 526032856 /nfs/dbraw/zinc/03/28/56/526032856.db2.gz NIUQOKJQKRTLEU-OCCSQVGLSA-N 0 1 295.373 3.774 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(OC2CCCC2)c(F)c1 ZINC000289674220 526033725 /nfs/dbraw/zinc/03/37/25/526033725.db2.gz ZUZHIXNHAMHTHN-UHFFFAOYSA-N 0 1 289.354 3.791 20 0 CHADMN Cc1c[nH]nc1CN[C@H](CC(C)(C)C)c1ccccc1 ZINC000289903504 526035934 /nfs/dbraw/zinc/03/59/34/526035934.db2.gz NPAZTFWJKJIPRW-OAHLLOKOSA-N 0 1 271.408 3.985 20 0 CHADMN COc1cccc(CN[C@H](C)c2cc(F)ccc2OC)c1 ZINC000037089715 526037617 /nfs/dbraw/zinc/03/76/17/526037617.db2.gz PSWOHZIHWRMHIY-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN Cc1cc(-c2noc(CN3[C@H](C)CC[C@H]3C)n2)ccc1F ZINC000151839581 526064748 /nfs/dbraw/zinc/06/47/48/526064748.db2.gz AXQDJHKCHBLUPF-VXGBXAGGSA-N 0 1 289.354 3.557 20 0 CHADMN C[C@H](c1ccccc1Cl)N1CCC2(CC1)OCCCO2 ZINC000293199434 526112780 /nfs/dbraw/zinc/11/27/80/526112780.db2.gz XREFMBCOJAIYDF-CYBMUJFWSA-N 0 1 295.810 3.630 20 0 CHADMN C[C@H](c1ccccn1)N1CC[C@](F)(c2ccccc2)C1 ZINC000374561051 526124113 /nfs/dbraw/zinc/12/41/13/526124113.db2.gz ZYWHDGGLHWDCCI-RHSMWYFYSA-N 0 1 270.351 3.713 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1ccnc(Cl)c1 ZINC000050166135 526153201 /nfs/dbraw/zinc/15/32/01/526153201.db2.gz VYJBQRMWPAPLRW-SNVBAGLBSA-N 0 1 266.797 3.990 20 0 CHADMN C[C@H](c1ncc(-c2ccccc2)o1)N1C[C@@H](C)[C@H]1C ZINC000292910563 526183721 /nfs/dbraw/zinc/18/37/21/526183721.db2.gz FJORNSVFGOMUFX-JHJVBQTASA-N 0 1 256.349 3.743 20 0 CHADMN C[C@@H](c1nccs1)N1CCN(CCCC(C)(C)C)CC1 ZINC000337209697 526184831 /nfs/dbraw/zinc/18/48/31/526184831.db2.gz SMLNYOHKOJLRIY-AWEZNQCLSA-N 0 1 295.496 3.648 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1cnn2ccccc12 ZINC000337267718 526193845 /nfs/dbraw/zinc/19/38/45/526193845.db2.gz WSSQEGNYXWAUKY-ZDUSSCGKSA-N 0 1 297.427 3.907 20 0 CHADMN Cc1cnn(C)c1CN[C@@H]1CCCc2sc(Cl)cc21 ZINC000291828605 526253049 /nfs/dbraw/zinc/25/30/49/526253049.db2.gz ZYRWEQBPNUTDJY-LLVKDONJSA-N 0 1 295.839 3.611 20 0 CHADMN FC1(F)CC(NCc2c(Cl)oc3ccccc32)C1 ZINC000277692781 526272564 /nfs/dbraw/zinc/27/25/64/526272564.db2.gz QONLWAFBXYIIGK-UHFFFAOYSA-N 0 1 271.694 3.974 20 0 CHADMN Fc1cc(CN[C@H]2CCCc3occc32)cc(F)c1F ZINC000062706081 526298292 /nfs/dbraw/zinc/29/82/92/526298292.db2.gz WPBGPALILDWHNC-ZDUSSCGKSA-N 0 1 281.277 3.864 20 0 CHADMN Cc1nnc([C@@H](C)N(C)CC(C)(C)c2ccc(C)cc2)o1 ZINC000072759480 526392520 /nfs/dbraw/zinc/39/25/20/526392520.db2.gz JGPSOUCNDXYHJD-CYBMUJFWSA-N 0 1 287.407 3.657 20 0 CHADMN c1cc(-c2nc(CN3CCC[C@H]3C3CCC3)no2)cs1 ZINC000102950059 526414761 /nfs/dbraw/zinc/41/47/61/526414761.db2.gz DDAWABZPUQEKSX-ZDUSSCGKSA-N 0 1 289.404 3.563 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2N[C@H]1CCCc2occc21 ZINC000123919590 526445466 /nfs/dbraw/zinc/44/54/66/526445466.db2.gz FFQZXRDXQJGGQD-KBPBESRZSA-N 0 1 257.333 3.917 20 0 CHADMN c1ccc(C[C@H]2CCCCN2Cc2nc(C3CC3)no2)cc1 ZINC000299697271 526476363 /nfs/dbraw/zinc/47/63/63/526476363.db2.gz WMPIMTBPWCZLHP-MRXNPFEDSA-N 0 1 297.402 3.544 20 0 CHADMN c1ccc([C@@H]2C[C@@H]2[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000291196901 526493412 /nfs/dbraw/zinc/49/34/12/526493412.db2.gz PROGOANHIWKDET-XLAORIBOSA-N 0 1 283.415 3.576 20 0 CHADMN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000130524553 526515310 /nfs/dbraw/zinc/51/53/10/526515310.db2.gz WRFKCXZKXTUSLI-HNNXBMFYSA-N 0 1 273.355 3.503 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1CCCc2sccc21 ZINC000071138341 526517145 /nfs/dbraw/zinc/51/71/45/526517145.db2.gz IKNJRSNPRQLKAF-CYBMUJFWSA-N 0 1 262.378 3.520 20 0 CHADMN c1csc([C@@H](NCc2cn3ccccc3n2)C2CC2)c1 ZINC000340389745 526584447 /nfs/dbraw/zinc/58/44/47/526584447.db2.gz NTACOVUBLPQKRL-INIZCTEOSA-N 0 1 283.400 3.637 20 0 CHADMN Cc1nc(CN2CC[C@@H]2Cc2ccccc2)c(C)s1 ZINC000336802750 526869344 /nfs/dbraw/zinc/86/93/44/526869344.db2.gz VTGRPFXXROTVEZ-OAHLLOKOSA-N 0 1 272.417 3.577 20 0 CHADMN Cc1sccc1CN[C@@H]1CCOc2c(C)cccc21 ZINC000339370695 526918364 /nfs/dbraw/zinc/91/83/64/526918364.db2.gz CBYVCHWWEGIQAK-OAHLLOKOSA-N 0 1 273.401 3.978 20 0 CHADMN Clc1ccc(CNCc2ccc3c(n2)CCCC3)s1 ZINC000277769544 526948128 /nfs/dbraw/zinc/94/81/28/526948128.db2.gz TVRLPHFFBRYLQH-UHFFFAOYSA-N 0 1 292.835 3.965 20 0 CHADMN Cc1nc([C@H](C)NC2(Cc3ccccc3)CC2)cs1 ZINC000274742828 527063275 /nfs/dbraw/zinc/06/32/75/527063275.db2.gz FNIOUYHYOWHFKS-LBPRGKRZSA-N 0 1 272.417 3.877 20 0 CHADMN NC1(c2noc(CCC3CCCCC3)n2)CCCCC1 ZINC000041153375 527135157 /nfs/dbraw/zinc/13/51/57/527135157.db2.gz SPJRAHZSKMXTII-UHFFFAOYSA-N 0 1 277.412 3.701 20 0 CHADMN Cc1nc2ccc(CSc3ccncc3C)cc2[nH]1 ZINC000338621485 527140335 /nfs/dbraw/zinc/14/03/35/527140335.db2.gz GOSOUBFLEJIEIR-UHFFFAOYSA-N 0 1 269.373 3.867 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2C[C@@H](C)CCC[C@H]2C)[nH]1 ZINC000338575131 527151735 /nfs/dbraw/zinc/15/17/35/527151735.db2.gz WREBAKOXHHJXCJ-NWDGAFQWSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@H](C)CCC(C)(C)C)c2[nH]1 ZINC000338574161 527155915 /nfs/dbraw/zinc/15/59/15/527155915.db2.gz UWQKVTYJDVMQAR-LLVKDONJSA-N 0 1 287.407 3.816 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3c(C)cccc3F)c2[nH]1 ZINC000338577403 527156038 /nfs/dbraw/zinc/15/60/38/527156038.db2.gz QLSVORJTTJZYGI-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1nccc(CN[C@@H](CC2CCC2)c2ccccc2)n1 ZINC000339343646 527339639 /nfs/dbraw/zinc/33/96/39/527339639.db2.gz XPQYGJQQYGFKRN-SFHVURJKSA-N 0 1 281.403 3.806 20 0 CHADMN Cn1ccc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000264548507 527358783 /nfs/dbraw/zinc/35/87/83/527358783.db2.gz XKGYWKFRZKWEEV-QGZVFWFLSA-N 0 1 287.382 3.580 20 0 CHADMN Cn1ccnc1[C@@H](NCc1cc2ccccc2s1)C1CC1 ZINC000340423259 527454899 /nfs/dbraw/zinc/45/48/99/527454899.db2.gz IJPLWPNXSUDVEX-INIZCTEOSA-N 0 1 297.427 3.876 20 0 CHADMN Cc1ncsc1CCN[C@@H](C)c1csc(C(C)C)n1 ZINC000275216026 527490550 /nfs/dbraw/zinc/49/05/50/527490550.db2.gz SXOBZRIGKDOLHO-JTQLQIEISA-N 0 1 295.477 3.925 20 0 CHADMN Cc1ncsc1CN[C@H]1CCSc2c(F)cccc21 ZINC000071212902 527513448 /nfs/dbraw/zinc/51/34/48/527513448.db2.gz IVXKDPGZLMHPFC-LBPRGKRZSA-N 0 1 294.420 3.917 20 0 CHADMN OC[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000062998950 527582501 /nfs/dbraw/zinc/58/25/01/527582501.db2.gz QKVCXDKQZRETNX-OAHLLOKOSA-N 0 1 295.304 3.529 20 0 CHADMN FC(F)(F)c1ccc(C2(CNCc3cocn3)CC2)cc1 ZINC000277124516 527681301 /nfs/dbraw/zinc/68/13/01/527681301.db2.gz ZGSPRMNIWXKHJI-UHFFFAOYSA-N 0 1 296.292 3.515 20 0 CHADMN Cc1nn(C)cc1CN[C@H](C)c1oc2ccccc2c1C ZINC000157697074 527693398 /nfs/dbraw/zinc/69/33/98/527693398.db2.gz LRPXZQVHBDCGTQ-CYBMUJFWSA-N 0 1 283.375 3.634 20 0 CHADMN FC(F)[C@H](CCc1ccccc1)NCC1CC(F)(F)C1 ZINC000293327543 527697988 /nfs/dbraw/zinc/69/79/88/527697988.db2.gz FWULOMACMBFYPW-ZDUSSCGKSA-N 0 1 289.316 3.888 20 0 CHADMN Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000370404221 527701062 /nfs/dbraw/zinc/70/10/62/527701062.db2.gz DMYMTLBPKQTJRI-MRXNPFEDSA-N 0 1 289.810 3.719 20 0 CHADMN CC1(C)C[C@H](NCc2ccc(F)cn2)c2ccccc21 ZINC000334781898 527744120 /nfs/dbraw/zinc/74/41/20/527744120.db2.gz STXZRPDGIWXEEE-INIZCTEOSA-N 0 1 270.351 3.733 20 0 CHADMN CC1(C)C[C@H](NCc2ccsc2)c2cc(N)ccc2O1 ZINC000334850106 527746507 /nfs/dbraw/zinc/74/65/07/527746507.db2.gz YXJLGHIKSXJRRJ-AWEZNQCLSA-N 0 1 288.416 3.722 20 0 CHADMN CCC[C@@](C)(O)CNCc1csc(-c2ccsc2)n1 ZINC000344412563 527913774 /nfs/dbraw/zinc/91/37/74/527913774.db2.gz UKLWJWNRBCBYAP-CQSZACIVSA-N 0 1 296.461 3.512 20 0 CHADMN CCO[C@H]1C[C@H](N(C)Cc2cnc(C(C)C)s2)C1(C)C ZINC000353781215 528132202 /nfs/dbraw/zinc/13/22/02/528132202.db2.gz OHMZFKSNZVKQNJ-KBPBESRZSA-N 0 1 296.480 3.902 20 0 CHADMN CCCN(Cc1n[nH]c(C2CC2)n1)[C@H]1CCc2ccccc21 ZINC000347396610 528153240 /nfs/dbraw/zinc/15/32/40/528153240.db2.gz VUULOARGGKTKLI-INIZCTEOSA-N 0 1 296.418 3.582 20 0 CHADMN CCCN(Cc1nc(C)cs1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000353742515 528153438 /nfs/dbraw/zinc/15/34/38/528153438.db2.gz AQOKDYFMQPMYBP-UONOGXRCSA-N 0 1 296.480 3.867 20 0 CHADMN CC1CCN(Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000346345963 528255673 /nfs/dbraw/zinc/25/56/73/528255673.db2.gz HZGHQEAYBZUEQF-UHFFFAOYSA-N 0 1 283.375 3.501 20 0 CHADMN CCCCC[C@H]1CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000355019740 528273369 /nfs/dbraw/zinc/27/33/69/528273369.db2.gz QFEMBXWZUGHUTC-AWEZNQCLSA-N 0 1 285.391 3.748 20 0 CHADMN CCN(CCC1CC1)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000355040031 528425862 /nfs/dbraw/zinc/42/58/62/528425862.db2.gz SSLNGHLUOXNOMI-UHFFFAOYSA-N 0 1 287.382 3.633 20 0 CHADMN CCN(CC[C@@H]1CCCCO1)Cc1c(F)cccc1F ZINC000347398806 528585853 /nfs/dbraw/zinc/58/58/53/528585853.db2.gz IUELDOGHPQPHCF-ZDUSSCGKSA-N 0 1 283.362 3.746 20 0 CHADMN CC(C)[C@@H](NCc1ccc2cc[nH]c2n1)c1ccc(F)cn1 ZINC000353616353 528590329 /nfs/dbraw/zinc/59/03/29/528590329.db2.gz BRZFPYWTVZLMBQ-MRXNPFEDSA-N 0 1 298.365 3.584 20 0 CHADMN CC(C)[C@@H]1CN(Cc2cnc(C3CCC3)s2)CCCO1 ZINC000354793713 528748085 /nfs/dbraw/zinc/74/80/85/528748085.db2.gz SNPYQZYFWDNALF-HNNXBMFYSA-N 0 1 294.464 3.658 20 0 CHADMN CCCOc1cccc(CNCc2ccc3cc[nH]c3n2)c1 ZINC000353217583 528756947 /nfs/dbraw/zinc/75/69/47/528756947.db2.gz IEZBXWCGXLRFLS-UHFFFAOYSA-N 0 1 295.386 3.642 20 0 CHADMN CCN(Cc1ncc(Cl)s1)[C@H]1CCOC(C)(C)C1 ZINC000351937209 528888795 /nfs/dbraw/zinc/88/87/95/528888795.db2.gz NTFLWENIVKEKGE-JTQLQIEISA-N 0 1 288.844 3.576 20 0 CHADMN CC1(C)CCCN(Cc2nccn2Cc2ccccc2)CC1 ZINC000353668707 528939911 /nfs/dbraw/zinc/93/99/11/528939911.db2.gz ZTVZBYPZOPIIAA-UHFFFAOYSA-N 0 1 297.446 3.944 20 0 CHADMN CC1(C)C[C@@H](NCc2ccsc2)c2cc(N)ccc2O1 ZINC000334850296 529140503 /nfs/dbraw/zinc/14/05/03/529140503.db2.gz YXJLGHIKSXJRRJ-CQSZACIVSA-N 0 1 288.416 3.722 20 0 CHADMN CCc1cccc(Cl)c1CNCc1c(C)nn(C)c1C ZINC000353781479 529172617 /nfs/dbraw/zinc/17/26/17/529172617.db2.gz SEZRZYRDAIRSEF-UHFFFAOYSA-N 0 1 291.826 3.543 20 0 CHADMN CCSCCN1CC=C(c2c(F)cccc2F)CC1 ZINC000352022933 529179607 /nfs/dbraw/zinc/17/96/07/529179607.db2.gz SDAGPOZLYXFQPM-UHFFFAOYSA-N 0 1 283.387 3.807 20 0 CHADMN CC[C@@H](NCc1ccc2cc[nH]c2n1)c1ccccc1OC ZINC000353630664 529185500 /nfs/dbraw/zinc/18/55/00/529185500.db2.gz NDYUTQYHMASRCY-MRXNPFEDSA-N 0 1 295.386 3.812 20 0 CHADMN CC[C@@H](NCc1cncn1CC)c1ccc(Cl)s1 ZINC000417934916 529188892 /nfs/dbraw/zinc/18/88/92/529188892.db2.gz QFLXFWCBBYCZRD-LLVKDONJSA-N 0 1 283.828 3.859 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2ccc(C)cc21)c1ccn(C)n1 ZINC000352605496 529203376 /nfs/dbraw/zinc/20/33/76/529203376.db2.gz NXJQLJXDJFUADR-IAGOWNOFSA-N 0 1 283.419 3.847 20 0 CHADMN CCS[C@@H]1CCC[C@@H]1NCc1nc2cc(F)ccc2o1 ZINC000348468764 529214861 /nfs/dbraw/zinc/21/48/61/529214861.db2.gz KZMKDRSVTWJWNE-SMDDNHRTSA-N 0 1 294.395 3.731 20 0 CHADMN CC[C@H]1CCCN1Cc1c(C(C)C)nc2sc(C)nn12 ZINC000352653094 529220192 /nfs/dbraw/zinc/22/01/92/529220192.db2.gz UQZGHIGXESGTFX-LBPRGKRZSA-N 0 1 292.452 3.597 20 0 CHADMN CCS[C@H]1CCCCN([C@@H](C)c2nnc(C)s2)C1 ZINC000347295922 529225907 /nfs/dbraw/zinc/22/59/07/529225907.db2.gz JDOYAJYKOQWMCG-JQWIXIFHSA-N 0 1 285.482 3.515 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1cc(C)ccc1OC ZINC000354835496 529260050 /nfs/dbraw/zinc/26/00/50/529260050.db2.gz WYCPJIOJPQVVIU-KRWDZBQOSA-N 0 1 284.403 3.982 20 0 CHADMN CC[C@@H]1CCCN1Cc1ncc(-c2cccs2)o1 ZINC000344454316 529301756 /nfs/dbraw/zinc/30/17/56/529301756.db2.gz VLHXYSOMPYAZNH-LLVKDONJSA-N 0 1 262.378 3.778 20 0 CHADMN CC[C@H](CN[C@H](C)c1nc(-c2ccccc2)cs1)OC ZINC000353570678 529370622 /nfs/dbraw/zinc/37/06/22/529370622.db2.gz FMGMDFHZSZUMLE-TZMCWYRMSA-N 0 1 290.432 3.886 20 0 CHADMN COc1ccc(CN[C@@H](C)CF)cc1OCCC(C)C ZINC000342207018 536896111 /nfs/dbraw/zinc/89/61/11/536896111.db2.gz RWVMJGFYVYDUTR-ZDUSSCGKSA-N 0 1 283.387 3.568 20 0 CHADMN C[C@@H](c1cccnc1)N(C)Cc1ccc2ccccc2n1 ZINC000065501893 567899575 /nfs/dbraw/zinc/89/95/75/567899575.db2.gz NIABMQCJDKJBPC-AWEZNQCLSA-N 0 1 277.371 3.823 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CCCC(=O)[O-] ZINC000175430960 601308123 /nfs/dbraw/zinc/30/81/23/601308123.db2.gz XZXHLNAIWAEODT-RYUDHWBXSA-N 0 1 283.799 3.629 20 0 CHADMN C[N@@H+](Cc1ccccc1NC(=O)[O-])C1CCCCC1 ZINC000739718562 602664699 /nfs/dbraw/zinc/66/46/99/602664699.db2.gz RMCJUKXZBOVQCL-UHFFFAOYSA-N 0 1 262.353 3.541 20 0 CHADMN O=C([O-])[C@@H]([NH2+]Cc1csc2ccccc12)c1ccccc1 ZINC000054463700 599785285 /nfs/dbraw/zinc/78/52/85/599785285.db2.gz TWADNFPCDUNLFP-INIZCTEOSA-N 0 1 297.379 3.817 20 0 CHADMN CC(C)[N@@H+](Cc1ccoc1C(=O)[O-])C1CCCCC1 ZINC000736475425 599810188 /nfs/dbraw/zinc/81/01/88/599810188.db2.gz YPOOLFGIEOSKFR-UHFFFAOYSA-N 0 1 265.353 3.521 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])co2)cc1 ZINC000580336619 599846621 /nfs/dbraw/zinc/84/66/21/599846621.db2.gz VNCQNMHPBSHNRT-INIZCTEOSA-N 0 1 285.343 3.623 20 0 CHADMN Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])co2)c1 ZINC000516656296 599848430 /nfs/dbraw/zinc/84/84/30/599848430.db2.gz BBSQENFUNJSXFC-MRXNPFEDSA-N 0 1 285.343 3.623 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](Cc1cc(C(=O)[O-])co1)C1CC1 ZINC000736726054 599849584 /nfs/dbraw/zinc/84/95/84/599849584.db2.gz XIDJWDSFRCBMSJ-LBPRGKRZSA-N 0 1 285.343 3.703 20 0 CHADMN C[N@@H+](Cc1cc(C(=O)[O-])co1)C1CCCCCCC1 ZINC000737454362 599850625 /nfs/dbraw/zinc/85/06/25/599850625.db2.gz NCFJLGDNEJEAIA-UHFFFAOYSA-N 0 1 265.353 3.523 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(C(=O)[O-])cc1 ZINC000037918875 599966884 /nfs/dbraw/zinc/96/68/84/599966884.db2.gz APULPBSSSSYDLE-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@H]2Cc2ccccc2)o1 ZINC000515305997 600025232 /nfs/dbraw/zinc/02/52/32/600025232.db2.gz PSCCXOMHMKXUJK-HNNXBMFYSA-N 0 1 299.370 3.575 20 0 CHADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000740079279 600085247 /nfs/dbraw/zinc/08/52/47/600085247.db2.gz NPRVERPZZAZNIV-QGZVFWFLSA-N 0 1 299.345 3.861 20 0 CHADMN O=C([O-])CCC[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000116343739 600224350 /nfs/dbraw/zinc/22/43/50/600224350.db2.gz VDFPWINDNOULOD-UHFFFAOYSA-N 0 1 297.398 3.596 20 0 CHADMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(C(=O)[O-])oc1C ZINC000736950793 600448214 /nfs/dbraw/zinc/44/82/14/600448214.db2.gz RJXTUOQYBOHBDG-MRXNPFEDSA-N 0 1 299.370 3.796 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000126352486 600574188 /nfs/dbraw/zinc/57/41/88/600574188.db2.gz AIKYRWJWTMVCHS-CQSZACIVSA-N 0 1 279.355 3.679 20 0 CHADMN Cc1cc(C[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)oc1C(=O)[O-] ZINC000566360370 600630042 /nfs/dbraw/zinc/63/00/42/600630042.db2.gz WWOMOGVHZNBXGL-UKRRQHHQSA-N 0 1 299.370 3.664 20 0 CHADMN CC(C)C[C@H]1CCCCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000584535211 600718573 /nfs/dbraw/zinc/71/85/73/600718573.db2.gz WJUUYPYZNBUQFK-CQSZACIVSA-N 0 1 279.380 3.769 20 0 CHADMN O=C([O-])c1ccc(CNc2cc[nH+]c3ccsc32)cc1 ZINC000833314974 600810524 /nfs/dbraw/zinc/81/05/24/600810524.db2.gz NPPASHDKQQOKPO-UHFFFAOYSA-N 0 1 284.340 3.607 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000652390717 600967989 /nfs/dbraw/zinc/96/79/89/600967989.db2.gz BHGPUFDTMHCOLL-DZGCQCFKSA-N 0 1 299.370 3.603 20 0 CHADMN Cc1ccc([C@H]2CCCC[N@H+]2Cc2ccc(C(=O)[O-])o2)o1 ZINC000738582640 600968874 /nfs/dbraw/zinc/96/88/74/600968874.db2.gz MAYONAZMXAPTTI-CYBMUJFWSA-N 0 1 289.331 3.606 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])co2)CC[C@@H]1c1ccccc1 ZINC000568404099 600975105 /nfs/dbraw/zinc/97/51/05/600975105.db2.gz DLDZDTGNOKFLLY-GUYCJALGSA-N 0 1 299.370 3.603 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC3(C2)CCCCC3)cc1 ZINC000261856131 600975123 /nfs/dbraw/zinc/97/51/23/600975123.db2.gz XJFOBMRZFJGKAK-UHFFFAOYSA-N 0 1 273.376 3.541 20 0 CHADMN CCC(C)(C)CC[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000686201611 601013741 /nfs/dbraw/zinc/01/37/41/601013741.db2.gz AGIDQSOEIFEWIQ-AWEZNQCLSA-N 0 1 263.381 3.570 20 0 CHADMN C[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000828410402 601042758 /nfs/dbraw/zinc/04/27/58/601042758.db2.gz BEUYBEYPDNJLIO-DQYPLSBCSA-N 0 1 299.345 3.644 20 0 CHADMN C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000828410402 601042759 /nfs/dbraw/zinc/04/27/59/601042759.db2.gz BEUYBEYPDNJLIO-DQYPLSBCSA-N 0 1 299.345 3.644 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000828457708 601045326 /nfs/dbraw/zinc/04/53/26/601045326.db2.gz WWVRGLBCVXOITR-DYVFJYSZSA-N 0 1 281.355 3.578 20 0 CHADMN C/C(=C\C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000825741935 601053964 /nfs/dbraw/zinc/05/39/64/601053964.db2.gz SYNKXBIKFWKVRW-VEMDQMBVSA-N 0 1 298.386 3.726 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000827928971 601116597 /nfs/dbraw/zinc/11/65/97/601116597.db2.gz SLZKUANOLJPTJV-MNOVXSKESA-N 0 1 271.316 3.616 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1Cc2ccccc2[C@H]1C ZINC000827928971 601116599 /nfs/dbraw/zinc/11/65/99/601116599.db2.gz SLZKUANOLJPTJV-MNOVXSKESA-N 0 1 271.316 3.616 20 0 CHADMN C/C(=C/C[N@H+]1CCCCC[C@@H]1c1ccc(C)o1)C(=O)[O-] ZINC000825741391 601170252 /nfs/dbraw/zinc/17/02/52/601170252.db2.gz MMWJBZNUONVUCW-FWLQQBITSA-N 0 1 277.364 3.536 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000828457076 601178885 /nfs/dbraw/zinc/17/88/85/601178885.db2.gz QQBCEMHPPFQYOR-PXAZEXFGSA-N 0 1 299.345 3.717 20 0 CHADMN CCC1(CC)CC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000094805595 601543335 /nfs/dbraw/zinc/54/33/35/601543335.db2.gz APVHXAYGWBIILA-NSHDSACASA-N 0 1 265.353 3.551 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000568110438 601640157 /nfs/dbraw/zinc/64/01/57/601640157.db2.gz XZLGBGWMDQXUGN-KFNAQCHYSA-N 0 1 291.366 3.677 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000568110439 601640406 /nfs/dbraw/zinc/64/04/06/601640406.db2.gz XZLGBGWMDQXUGN-PVXIVEMSSA-N 0 1 291.366 3.677 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000155987994 601643584 /nfs/dbraw/zinc/64/35/84/601643584.db2.gz VNIGSNFOPVRCQH-AAEUAGOBSA-N 0 1 279.405 3.519 20 0 CHADMN C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccsc1C(=O)[O-] ZINC000110956437 601805305 /nfs/dbraw/zinc/80/53/05/601805305.db2.gz IKXVDLNNZOOBSE-SECBINFHSA-N 0 1 293.413 3.627 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](Cc2cccs2)C2CC2)s1 ZINC000103926806 601940277 /nfs/dbraw/zinc/94/02/77/601940277.db2.gz BRFSJGDAWZWVTN-UHFFFAOYSA-N 0 1 293.413 3.672 20 0 CHADMN CCC[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000566363022 601967339 /nfs/dbraw/zinc/96/73/39/601967339.db2.gz YKHGOLLPZNTLGD-RYUDHWBXSA-N 0 1 265.353 3.551 20 0 CHADMN C/C(=C/c1ccccc1)C[N@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000833387343 604630212 /nfs/dbraw/zinc/63/02/12/604630212.db2.gz ZVXUODIYUACGPH-RAXLEYEMSA-N 0 1 285.343 3.513 20 0 CHADMN C[C@H](c1ccc(F)cc1)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833547212 604847395 /nfs/dbraw/zinc/84/73/95/604847395.db2.gz BHZXHJMNNMCWQJ-GFCCVEGCSA-N 0 1 299.345 3.643 20 0 CHADMN C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135046655 604932335 /nfs/dbraw/zinc/93/23/35/604932335.db2.gz GWXWYGLGNHZZDA-OCCSQVGLSA-N 0 1 293.382 3.710 20 0 CHADMN C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135050807 604932924 /nfs/dbraw/zinc/93/29/24/604932924.db2.gz LCFATOGMFNFOFP-OCCSQVGLSA-N 0 1 293.382 3.710 20 0 CHADMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1ccccc1CC(=O)[O-])C1CC1 ZINC000833638096 605067502 /nfs/dbraw/zinc/06/75/02/605067502.db2.gz JNQULRVVPHIBED-UONOGXRCSA-N 0 1 289.419 3.713 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833548573 605104207 /nfs/dbraw/zinc/10/42/07/605104207.db2.gz PFXCBDAKKPCPAT-SNVBAGLBSA-N 0 1 292.766 3.559 20 0 CHADMN C[C@H](c1cccs1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000049727581 948913489 /nfs/dbraw/zinc/91/34/89/948913489.db2.gz HTYYPDKGLFZORQ-LLVKDONJSA-N 0 1 275.373 3.639 20 0 CHADMN C[C@H](C[N@H+]1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1 ZINC000086755333 949062174 /nfs/dbraw/zinc/06/21/74/949062174.db2.gz LVVYEFPCCKBXBI-GDBMZVCRSA-N 0 1 275.392 3.509 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CCSC2CCCCC2)C1 ZINC001589605098 949238786 /nfs/dbraw/zinc/23/87/86/949238786.db2.gz JPJIVFOUSRNJQM-MRXNPFEDSA-N 0 1 299.480 3.629 20 0 CHADMN CC[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC001589627294 949508397 /nfs/dbraw/zinc/50/83/97/949508397.db2.gz LXYAKXXEDXACQA-SFHVURJKSA-N 0 1 295.382 3.722 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000227249474 949598564 /nfs/dbraw/zinc/59/85/64/949598564.db2.gz WQICFJFDKCWYOE-XHDPSFHLSA-N 0 1 293.794 3.514 20 0 CHADMN Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000235786214 949880192 /nfs/dbraw/zinc/88/01/92/949880192.db2.gz CELSQGIWKMXKCA-CYBMUJFWSA-N 0 1 295.810 3.725 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN2CCc3ccsc3C2)o1 ZINC000127048255 1125458430 /nfs/dbraw/zinc/45/84/30/1125458430.db2.gz YIPBYDIZXAEAAF-UHFFFAOYSA-N 0 1 299.399 3.598 20 0 CHADMN O=C([O-])[C@@H]1C[N@H+]([C@@H]2C=CCCCCC2)Cc2ccccc21 ZINC000314082083 950807446 /nfs/dbraw/zinc/80/74/46/950807446.db2.gz XRBUQXMRJHPLAW-NVXWUHKLSA-N 0 1 285.387 3.559 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)cc1F)C1(C(=O)[O-])CCCCC1 ZINC000380561692 971705745 /nfs/dbraw/zinc/70/57/45/971705745.db2.gz RRDKSCHJEWCYEA-UHFFFAOYSA-N 0 1 299.773 3.698 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000322954996 951039895 /nfs/dbraw/zinc/03/98/95/951039895.db2.gz SMQROJFJHJYYHK-INDRUJQFSA-N 0 1 287.403 3.667 20 0 CHADMN C[C@H](C[N@H+]1CCCC[C@@H]1CC(=O)[O-])C1CCCCC1 ZINC000381968031 951216468 /nfs/dbraw/zinc/21/64/68/951216468.db2.gz GHEZEQFAEKMSJH-UKRRQHHQSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@H](C[N@H+]1CCCC[C@H]1CC(=O)[O-])C1CCCCC1 ZINC000381968033 951217089 /nfs/dbraw/zinc/21/70/89/951217089.db2.gz GHEZEQFAEKMSJH-ZFWWWQNUSA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])C[C@@H]1CCCC[N@H+]1CCCC1CCCCC1 ZINC000395092472 951463650 /nfs/dbraw/zinc/46/36/50/951463650.db2.gz CJXPJYZUCGSXPJ-HNNXBMFYSA-N 0 1 267.413 3.676 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+]1CC=C(c2ccc(Cl)cc2C)CC1 ZINC000530172718 953557372 /nfs/dbraw/zinc/55/73/72/953557372.db2.gz OOCLERHTLSBLDI-OAHLLOKOSA-N 0 1 293.794 3.601 20 0 CHADMN C[C@H]1CC(CC[N@H+]2CCC[C@H](CC(=O)[O-])C2)C[C@H](C)C1 ZINC000532881978 953569084 /nfs/dbraw/zinc/56/90/84/953569084.db2.gz SCOUXGHSUODCLJ-IIAWOOMASA-N 0 1 281.440 3.636 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000629376625 953821987 /nfs/dbraw/zinc/82/19/87/953821987.db2.gz YMNFDBWRIOOYMO-ZZKXABKFSA-N 0 1 279.405 3.625 20 0 CHADMN C[C@@H]1CCC[N@@H+](C/C=C/c2ccc(Cl)cc2)[C@@H]1C(=O)[O-] ZINC001589333908 953970850 /nfs/dbraw/zinc/97/08/50/953970850.db2.gz FSHGGOSWDJVXPJ-MOEUOMFESA-N 0 1 293.794 3.538 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](Cc1ccoc1C(=O)[O-])Cc1ccccc1 ZINC000385197508 971986799 /nfs/dbraw/zinc/98/67/99/971986799.db2.gz PLDFLMBHSGCLGF-ZDUSSCGKSA-N 0 1 299.370 3.779 20 0 CHADMN O=C([O-])C[C@H]1CCCC[N@H+]1CCCc1ccccc1Cl ZINC000652463352 954086769 /nfs/dbraw/zinc/08/67/69/954086769.db2.gz AXENXDURDRKGAG-CQSZACIVSA-N 0 1 295.810 3.602 20 0 CHADMN O=C([O-])[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1c1ccccc1 ZINC000659796555 954375826 /nfs/dbraw/zinc/37/58/26/954375826.db2.gz DNCMIHVOIZVMPW-ZWKOTPCHSA-N 0 1 299.414 3.677 20 0 CHADMN CC(C)c1cccc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])c1 ZINC000662212533 954383778 /nfs/dbraw/zinc/38/37/78/954383778.db2.gz CNCYTJQFUPKUPN-INIZCTEOSA-N 0 1 275.392 3.639 20 0 CHADMN CC(C)(C)C[N@@H+](CC[C@@H]1CCc2ccccc21)CC(=O)[O-] ZINC000662222471 954392945 /nfs/dbraw/zinc/39/29/45/954392945.db2.gz FOFCAJFWEVWQIJ-HNNXBMFYSA-N 0 1 289.419 3.539 20 0 CHADMN Cc1ccc(CNCc2ccnc(Cl)c2F)s1 ZINC000823666105 1131436484 /nfs/dbraw/zinc/43/64/84/1131436484.db2.gz GEUXLFSYPFUSRL-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903695783 956882123 /nfs/dbraw/zinc/88/21/23/956882123.db2.gz IUEQSZFWJKPNHE-ZIAGYGMSSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CCCC2CCCC2)C1 ZINC000923471010 957122137 /nfs/dbraw/zinc/12/21/37/957122137.db2.gz PTPBZDJMZPTWQI-INIZCTEOSA-N 0 1 267.413 3.534 20 0 CHADMN CCC(CC)C[N@@H+](CC)[C@@H](C(=O)[O-])c1ccccc1 ZINC000048970679 957471099 /nfs/dbraw/zinc/47/10/99/957471099.db2.gz YKCBMOYWNYXSPM-OAHLLOKOSA-N 0 1 263.381 3.570 20 0 CHADMN Cc1cc(C[N@@H+](Cc2cccs2)C(C)C)oc1C(=O)[O-] ZINC000049029906 957472393 /nfs/dbraw/zinc/47/23/93/957472393.db2.gz WDVHYRWHKZMFLV-UHFFFAOYSA-N 0 1 293.388 3.758 20 0 CHADMN CCCC1CCC(Nc2cc(C(=O)[O-])cc[nH+]2)CC1 ZINC000049548118 957478828 /nfs/dbraw/zinc/47/88/28/957478828.db2.gz OVMXYLPQTHBCAB-UHFFFAOYSA-N 0 1 262.353 3.551 20 0 CHADMN Cc1oc(C[N@H+](C)[C@H](C)c2cccs2)cc1C(=O)[O-] ZINC000049727612 957480925 /nfs/dbraw/zinc/48/09/25/957480925.db2.gz BTXRQAOGUJEZFC-SECBINFHSA-N 0 1 279.361 3.541 20 0 CHADMN C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000062754029 957608906 /nfs/dbraw/zinc/60/89/06/957608906.db2.gz JKSFCWCTYMLUKM-BXUZGUMPSA-N 0 1 279.355 3.534 20 0 CHADMN Cc1cc(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)c(C)s1 ZINC000086725474 957977091 /nfs/dbraw/zinc/97/70/91/957977091.db2.gz PQYTVVWVJDVABK-UHFFFAOYSA-N 0 1 289.400 3.695 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000087591761 958018273 /nfs/dbraw/zinc/01/82/73/958018273.db2.gz SYYHGYHTWGUQFJ-NSHDSACASA-N 0 1 283.799 3.834 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000087591762 958019508 /nfs/dbraw/zinc/01/95/08/958019508.db2.gz SYYHGYHTWGUQFJ-LLVKDONJSA-N 0 1 283.799 3.834 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000094529197 958291237 /nfs/dbraw/zinc/29/12/37/958291237.db2.gz CNKMAQJZQSUQBR-CQSZACIVSA-N 0 1 287.403 3.641 20 0 CHADMN O=C([O-])c1cccc2c1CC[N@@H+](CC1CCCCCC1)C2 ZINC000124633891 958540757 /nfs/dbraw/zinc/54/07/57/958540757.db2.gz MZKUPDHJANFCMP-UHFFFAOYSA-N 0 1 287.403 3.713 20 0 CHADMN CC[C@H]1CCCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1OC ZINC000125890932 958570952 /nfs/dbraw/zinc/57/09/52/958570952.db2.gz HZJWINWICRTQLB-HNNXBMFYSA-N 0 1 291.391 3.548 20 0 CHADMN Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001594382848 958649329 /nfs/dbraw/zinc/64/93/29/958649329.db2.gz JYXPKQDSTIKDLO-KSSFIOAISA-N 0 1 297.398 3.691 20 0 CHADMN CC(C)(NCc1ccnc(Cl)c1F)c1ccccc1 ZINC000823709522 1131437929 /nfs/dbraw/zinc/43/79/29/1131437929.db2.gz WLPZFEAZHHRIBX-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN CC(C)c1ccc(C[C@@H]2CC[N@@H+](CCCC(=O)[O-])C2)cc1 ZINC001573566536 959290452 /nfs/dbraw/zinc/29/04/52/959290452.db2.gz IWSXTOUEQNLKQE-INIZCTEOSA-N 0 1 289.419 3.539 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](Cc2ccccc2CC(=O)[O-])CC1 ZINC000167739108 959358675 /nfs/dbraw/zinc/35/86/75/959358675.db2.gz XOKCTBKLCGKIDV-OAHLLOKOSA-N 0 1 289.419 3.572 20 0 CHADMN C[C@H]1C[C@H]([N@H+]2CCC[C@]2(C)C(=O)[O-])c2ccsc2S1 ZINC001594245329 959560019 /nfs/dbraw/zinc/56/00/19/959560019.db2.gz KRGDMSAJYJFAGG-NURSFMCSSA-N 0 1 297.445 3.613 20 0 CHADMN C[C@@]1(C2CCCCC2)CC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC001573678910 959734679 /nfs/dbraw/zinc/73/46/79/959734679.db2.gz UOKOBOHRYIUSJH-INIZCTEOSA-N 0 1 279.424 3.676 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000227582760 959963194 /nfs/dbraw/zinc/96/31/94/959963194.db2.gz HZCYKVMRKUPKRG-IGCXYCKISA-N 0 1 283.371 3.696 20 0 CHADMN CC(C)CC[N@@H+](Cc1cccc(C(=O)[O-])n1)C1CCCC1 ZINC000232562904 960282378 /nfs/dbraw/zinc/28/23/78/960282378.db2.gz QNKIOJNPHQQPDS-UHFFFAOYSA-N 0 1 290.407 3.571 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1Cl ZINC000235878348 960525479 /nfs/dbraw/zinc/52/54/79/960525479.db2.gz OFRMKVIXXHILPF-CYBMUJFWSA-N 0 1 295.810 3.725 20 0 CHADMN O=C([O-])c1ccc(F)c(C[N@H+]2CCC[C@H]2c2ccccc2)c1 ZINC001231458481 960609410 /nfs/dbraw/zinc/60/94/10/960609410.db2.gz YKDAAHKEXDHYDZ-KRWDZBQOSA-N 0 1 299.345 3.861 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1 ZINC000248561548 961196760 /nfs/dbraw/zinc/19/67/60/961196760.db2.gz NNQBDYVUCRKSIU-NRKLIOEPSA-N 0 1 293.451 3.921 20 0 CHADMN C[C@@]1(C(=O)[O-])CCC[N@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000250795398 961228477 /nfs/dbraw/zinc/22/84/77/961228477.db2.gz LRRQIZOECWWHMQ-GOEBONIOSA-N 0 1 293.794 3.514 20 0 CHADMN C[N@@H+](CCCC(=O)[O-])[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000252957439 961295873 /nfs/dbraw/zinc/29/58/73/961295873.db2.gz KRVLGFLMYHKFPJ-JKSUJKDBSA-N 0 1 275.392 3.509 20 0 CHADMN CC[C@@]1(C)CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001329675245 961296571 /nfs/dbraw/zinc/29/65/71/961296571.db2.gz FPQDEGJKFRKIPM-ZBFHGGJFSA-N 0 1 295.810 3.978 20 0 CHADMN CC[C@H]1CCC[C@H](C[N@@H+](C)Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC001331923603 961409055 /nfs/dbraw/zinc/40/90/55/961409055.db2.gz BGWVLKJCLWGTIU-KBPBESRZSA-N 0 1 293.407 3.934 20 0 CHADMN CC(C)(C)c1noc(-c2ccc(Br)cc2O)n1 ZINC000109036900 1117847094 /nfs/dbraw/zinc/84/70/94/1117847094.db2.gz YCIVYMFHSWGONF-UHFFFAOYSA-N 0 1 297.152 3.502 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CCC2(C1)CCCCC2 ZINC000130003195 1125479186 /nfs/dbraw/zinc/47/91/86/1125479186.db2.gz XXAFWTJJFKFUKC-GFCCVEGCSA-N 0 1 275.396 3.664 20 0 CHADMN Cc1ccc(CN2CCC23CCCC3)c(F)c1F ZINC001137964430 1131443227 /nfs/dbraw/zinc/44/32/27/1131443227.db2.gz ASCTYFFUZJTGMP-UHFFFAOYSA-N 0 1 251.320 3.792 20 0 CHADMN C/C(=C/C[N@H+]1CCC[C@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC001349581713 962472899 /nfs/dbraw/zinc/47/28/99/962472899.db2.gz QVAZZDJMGBBLLA-JOHMGYAOSA-N 0 1 279.767 3.508 20 0 CHADMN C[C@@H]1CO[C@@H](c2ccccc2)CN1Cc1cccs1 ZINC000130630335 1125483516 /nfs/dbraw/zinc/48/35/16/1125483516.db2.gz HGOPTLSVJMFIPC-CZUORRHYSA-N 0 1 273.401 3.710 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cs1 ZINC001353935984 962684781 /nfs/dbraw/zinc/68/47/81/962684781.db2.gz RCSOZHJSTUFNIE-QLFBSQMISA-N 0 1 293.432 3.522 20 0 CHADMN CC(C)C(C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1)C(C)C ZINC000312232723 963546547 /nfs/dbraw/zinc/54/65/47/963546547.db2.gz HXQJJCIFVDIYGI-UHFFFAOYSA-N 0 1 277.408 3.745 20 0 CHADMN C[N@@H+](Cc1cc(Cl)ccc1F)C1(C(=O)[O-])CCCCC1 ZINC000312717578 963587294 /nfs/dbraw/zinc/58/72/94/963587294.db2.gz RCPLXVVCSZMSCK-UHFFFAOYSA-N 0 1 299.773 3.698 20 0 CHADMN Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000314600251 963775310 /nfs/dbraw/zinc/77/53/10/963775310.db2.gz CRARYQNRDJCSKR-MNOVXSKESA-N 0 1 290.388 3.562 20 0 CHADMN O=C([O-])c1ccc(F)c(C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000315970826 963959574 /nfs/dbraw/zinc/95/95/74/963959574.db2.gz YNPDIKSROSDNAG-HNNXBMFYSA-N 0 1 299.345 3.513 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000086784440 967574689 /nfs/dbraw/zinc/57/46/89/967574689.db2.gz ZMCWJQDQIKSMBD-ZBEGNZNMSA-N 0 1 297.345 3.603 20 0 CHADMN Cc1ccc(CCC[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000652495096 968636687 /nfs/dbraw/zinc/63/66/87/968636687.db2.gz LNJJFPXWJNHOFE-KRWDZBQOSA-N 0 1 289.419 3.504 20 0 CHADMN C[C@H]1CCC[C@H](CC[N@@H+](CC(=O)[O-])CC(C)(C)C)C1 ZINC000662223198 968756293 /nfs/dbraw/zinc/75/62/93/968756293.db2.gz NLDPAWOWWIFRNE-UONOGXRCSA-N 0 1 269.429 3.636 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1C[C@@H]1CC2CCC1CC2 ZINC000691670593 968909145 /nfs/dbraw/zinc/90/91/45/968909145.db2.gz DGENFLQRHFVTOO-SSHXOBKSSA-N 0 1 279.424 3.532 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@H]2c2cccc(F)c2)CCC1 ZINC000903696100 969590779 /nfs/dbraw/zinc/59/07/79/969590779.db2.gz ARYCFYVKTQCMIA-HNNXBMFYSA-N 0 1 291.366 3.608 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])CC12CCCCC2 ZINC000515489388 974299174 /nfs/dbraw/zinc/29/91/74/974299174.db2.gz DRIOVYVNRVSZRQ-CYBMUJFWSA-N 0 1 291.391 3.770 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1cc2ccccc2o1 ZINC000530178201 974363688 /nfs/dbraw/zinc/36/36/88/974363688.db2.gz ZZUFSEWGVOXPEF-DABQJJPHSA-N 0 1 287.359 3.506 20 0 CHADMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2csc(C(=O)[O-])c2)C1 ZINC000565105555 974571502 /nfs/dbraw/zinc/57/15/02/974571502.db2.gz MODQOZCZGCLLCM-VXGBXAGGSA-N 0 1 299.461 3.552 20 0 CHADMN Cc1cc(C[N@H+](C)Cc2ccc(C)c(C)c2)oc1C(=O)[O-] ZINC000565902411 974590579 /nfs/dbraw/zinc/59/05/79/974590579.db2.gz SKPJCDPCMJOPNS-UHFFFAOYSA-N 0 1 287.359 3.535 20 0 CHADMN O=C([O-])CCC[N@H+]1CCCC[C@@H]1CCCc1ccccc1 ZINC000565931025 974591737 /nfs/dbraw/zinc/59/17/37/974591737.db2.gz ZFPMQJYMRZDQSF-QGZVFWFLSA-N 0 1 289.419 3.729 20 0 CHADMN C[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000566358454 974607187 /nfs/dbraw/zinc/60/71/87/974607187.db2.gz WYKBYVIHYWXWNY-HZMBPMFUSA-N 0 1 299.773 3.727 20 0 CHADMN Cc1ccc2c(C)cc(N3CCC(CC(=O)[O-])CC3)[nH+]c2c1 ZINC000566740024 974620785 /nfs/dbraw/zinc/62/07/85/974620785.db2.gz MBLQAFMDECFUJO-UHFFFAOYSA-N 0 1 298.386 3.543 20 0 CHADMN C[C@H]1CC(C)(C)C[N@H+]1[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000566744186 974620870 /nfs/dbraw/zinc/62/08/70/974620870.db2.gz ZPBGJAJYCSXTIV-GXFFZTMASA-N 0 1 281.783 3.586 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])o2)c1 ZINC000570220396 974708205 /nfs/dbraw/zinc/70/82/05/974708205.db2.gz VKDIBPKPEOTQLV-HNNXBMFYSA-N 0 1 285.343 3.623 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1csc(C(=O)[O-])c1)c1ccccc1 ZINC000570808185 974718590 /nfs/dbraw/zinc/71/85/90/974718590.db2.gz FKPUDCROAFVNGZ-LBPRGKRZSA-N 0 1 289.400 3.682 20 0 CHADMN Cc1oc(C[N@@H+]([C@H](C)c2ccco2)C2CC2)cc1C(=O)[O-] ZINC000572848473 974755493 /nfs/dbraw/zinc/75/54/93/974755493.db2.gz MELSOXRVZZTXGR-SNVBAGLBSA-N 0 1 289.331 3.605 20 0 CHADMN Cc1oc(C[N@H+]([C@H](C)c2ccco2)C2CC2)cc1C(=O)[O-] ZINC000572848473 974755500 /nfs/dbraw/zinc/75/55/00/974755500.db2.gz MELSOXRVZZTXGR-SNVBAGLBSA-N 0 1 289.331 3.605 20 0 CHADMN Cc1c(C)c(C)c(C[N@H+]2CCC[C@H]2CC(=O)[O-])c(C)c1C ZINC000573008907 974758606 /nfs/dbraw/zinc/75/86/06/974758606.db2.gz GZTAYLDZPDBRQP-INIZCTEOSA-N 0 1 289.419 3.668 20 0 CHADMN Cc1cc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)oc1C(=O)[O-] ZINC000573733745 974770611 /nfs/dbraw/zinc/77/06/11/974770611.db2.gz KBNOSBNTSJRXLM-NSHDSACASA-N 0 1 291.322 3.618 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000574921694 974791165 /nfs/dbraw/zinc/79/11/65/974791165.db2.gz KFPCYRIKEFEKEZ-WXHSDQCUSA-N 0 1 279.405 3.599 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CCc1cccc2ccccc21 ZINC000578199679 974850312 /nfs/dbraw/zinc/85/03/12/974850312.db2.gz RJFXCMDXCMQYOK-GOSISDBHSA-N 0 1 299.414 3.813 20 0 CHADMN O=C([O-])CC1(C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)CC1 ZINC000578515118 974855567 /nfs/dbraw/zinc/85/55/67/974855567.db2.gz KRZIAQSFFJBCAD-KRWDZBQOSA-N 0 1 299.414 3.783 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@H]2c2ccccc2C)cc1C(=O)[O-] ZINC000579961169 974885472 /nfs/dbraw/zinc/88/54/72/974885472.db2.gz AFNUBNGLERQHFA-KRWDZBQOSA-N 0 1 299.370 3.932 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])[C@H]1C=CCCC1 ZINC000583824130 974945997 /nfs/dbraw/zinc/94/59/97/974945997.db2.gz UCOWBFKEWWDYBH-JKSUJKDBSA-N 0 1 273.376 3.633 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@H]2C2CCCCC2)cc1C(=O)[O-] ZINC000583877759 974947138 /nfs/dbraw/zinc/94/71/38/974947138.db2.gz XIEFZXCWJAUWMF-INIZCTEOSA-N 0 1 291.391 3.831 20 0 CHADMN C[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000583939920 974947978 /nfs/dbraw/zinc/94/79/78/974947978.db2.gz JJMFANFUNAECAG-GOSISDBHSA-N 0 1 299.370 3.575 20 0 CHADMN C[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000583939921 974948266 /nfs/dbraw/zinc/94/82/66/974948266.db2.gz JJMFANFUNAECAG-SFHVURJKSA-N 0 1 299.370 3.575 20 0 CHADMN CS[C@H]1CCCC[N@H+]([C@@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000593744303 974986575 /nfs/dbraw/zinc/98/65/75/974986575.db2.gz PDJFYPNSQPQZIE-RYUDHWBXSA-N 0 1 297.420 3.565 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000629360589 975082952 /nfs/dbraw/zinc/08/29/52/975082952.db2.gz SXFBFPQSVCTELZ-YOEHRIQHSA-N 0 1 289.419 3.714 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000629374998 975088404 /nfs/dbraw/zinc/08/84/04/975088404.db2.gz ABNCWZGLXOEBOM-QAVQXKDTSA-N 0 1 279.405 3.625 20 0 CHADMN C/C=C/C[C@H]1CCC[N@@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000629374997 975088796 /nfs/dbraw/zinc/08/87/96/975088796.db2.gz ABNCWZGLXOEBOM-JDGPPOGSSA-N 0 1 279.405 3.625 20 0 CHADMN C/C=C\C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000629376232 975090117 /nfs/dbraw/zinc/09/01/17/975090117.db2.gz SGKBYEWAUMXCDR-ZRMMWKCHSA-N 0 1 291.366 3.702 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000629376260 975090895 /nfs/dbraw/zinc/09/08/95/975090895.db2.gz TYIITIDRPWXWMG-HORCIZIBSA-N 0 1 277.364 3.717 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@@H]2c2cccc(C)c2)cc1C(=O)[O-] ZINC000652389684 975518507 /nfs/dbraw/zinc/51/85/07/975518507.db2.gz ZCDDXONAIXUURE-QGZVFWFLSA-N 0 1 299.370 3.932 20 0 CHADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000652415528 975526738 /nfs/dbraw/zinc/52/67/38/975526738.db2.gz YUGBQYVWWNVBFO-FUHWJXTLSA-N 0 1 285.387 3.635 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CCCC[C@H]1CC(C)C ZINC000652425722 975528168 /nfs/dbraw/zinc/52/81/68/975528168.db2.gz JCJHYRXZJQMFGU-AWEZNQCLSA-N 0 1 279.380 3.687 20 0 CHADMN C[C@H]([N@@H+](C)Cc1cc(C(=O)[O-])ccc1Cl)C1(C)CC1 ZINC000652440380 975534436 /nfs/dbraw/zinc/53/44/36/975534436.db2.gz PWQJSYQEENOTPF-JTQLQIEISA-N 0 1 281.783 3.659 20 0 CHADMN Cc1cc(C)cc([C@H]2CC[N@@H+](Cc3cc(C(=O)[O-])co3)C2)c1 ZINC000652443632 975535141 /nfs/dbraw/zinc/53/51/41/975535141.db2.gz KOLZIYRVNWMTKZ-AWEZNQCLSA-N 0 1 299.370 3.584 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000652451167 975537054 /nfs/dbraw/zinc/53/70/54/975537054.db2.gz SQPCDYAREHLSJS-SOUVJXGZSA-N 0 1 281.440 3.634 20 0 CHADMN O=C([O-])C[N@@H+](CCCC1CCCC1)C1CCCCC1 ZINC000652482168 975550359 /nfs/dbraw/zinc/55/03/59/975550359.db2.gz QCIIHFMJVVFKFJ-UHFFFAOYSA-N 0 1 267.413 3.676 20 0 CHADMN CC(C)(C)CC[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000652493496 975557705 /nfs/dbraw/zinc/55/77/05/975557705.db2.gz CEEMVKRVYSZITM-UHFFFAOYSA-N 0 1 277.408 3.790 20 0 CHADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CCCc2ccsc2)C1 ZINC000652498805 975561089 /nfs/dbraw/zinc/56/10/89/975561089.db2.gz UIHODRBEEJFFHZ-AWEZNQCLSA-N 0 1 295.448 3.504 20 0 CHADMN CCC(CC)[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000653363838 975592762 /nfs/dbraw/zinc/59/27/62/975592762.db2.gz UUGCFIYHHGGTLF-UHFFFAOYSA-N 0 1 261.365 3.538 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cc(C(C)C)ccc1OC ZINC000655925083 975638481 /nfs/dbraw/zinc/63/84/81/975638481.db2.gz WDJPPOLMTLBCCG-CYBMUJFWSA-N 0 1 293.407 3.504 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000656757850 975684320 /nfs/dbraw/zinc/68/43/20/975684320.db2.gz UBGKJYKKNKWNHB-GHMZBOCLSA-N 0 1 281.783 3.659 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCc2ccc(C(C)C)cc2C1 ZINC000656759046 975686225 /nfs/dbraw/zinc/68/62/25/975686225.db2.gz UWSKETLWJSLTAQ-KRWDZBQOSA-N 0 1 289.419 3.812 20 0 CHADMN CC(C)(CC[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21)C1CC1 ZINC000656763661 975692781 /nfs/dbraw/zinc/69/27/81/975692781.db2.gz CHUDVQHGFXMJQQ-PMPSAXMXSA-N 0 1 293.451 3.778 20 0 CHADMN O=C([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H](CCF)C2)c1 ZINC000656763838 975694355 /nfs/dbraw/zinc/69/43/55/975694355.db2.gz RGKITPGEPQCSLV-LLVKDONJSA-N 0 1 299.773 3.610 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCC[C@H](C3CCCCC3)C2)c1 ZINC000659803009 975893844 /nfs/dbraw/zinc/89/38/44/975893844.db2.gz CHDOHWDZROBZQM-AWEZNQCLSA-N 0 1 291.391 3.770 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000659804526 975894930 /nfs/dbraw/zinc/89/49/30/975894930.db2.gz ZEOUWXQUKAUUHT-HNNXBMFYSA-N 0 1 267.413 3.534 20 0 CHADMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](CCCC1CCCCC1)C2 ZINC000701528228 977022777 /nfs/dbraw/zinc/02/27/77/977022777.db2.gz SFIOTEXIGYTNMD-RDJZCZTQSA-N 0 1 279.424 3.534 20 0 CHADMN C[C@H](CC(C)(C)CC(=O)[O-])[NH2+]CC(F)(F)c1ccccc1 ZINC001592445379 978112526 /nfs/dbraw/zinc/11/25/26/978112526.db2.gz CTYWPSVJSNNODF-GFCCVEGCSA-N 0 1 299.361 3.648 20 0 CHADMN C[C@H](C(=O)[O-])[N@H+](CC[C@H](C)c1ccccc1)C1CCC1 ZINC001592513331 978344811 /nfs/dbraw/zinc/34/48/11/978344811.db2.gz DRPWQVNVBFNZMX-UONOGXRCSA-N 0 1 275.392 3.508 20 0 CHADMN Cc1cc([C@@H](C)[N@H+]2CCC3(CCCC3)C2)oc1C(=O)[O-] ZINC000846244634 979420988 /nfs/dbraw/zinc/42/09/88/979420988.db2.gz MCCZQWVABHVSCB-GFCCVEGCSA-N 0 1 277.364 3.613 20 0 CHADMN C/C(=C/C[N@@H+]1CCC[C@H](C)[C@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000846248991 979424647 /nfs/dbraw/zinc/42/46/47/979424647.db2.gz JRCSHTRBXWOSHC-SILSCELHSA-N 0 1 287.403 3.799 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1CC(=O)[O-] ZINC000846253780 979426605 /nfs/dbraw/zinc/42/66/05/979426605.db2.gz MIYAHWGXHOEWHX-QGZVFWFLSA-N 0 1 289.419 3.714 20 0 CHADMN CC[C@@H]1C[N@@H+](C/C=C(\C)C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000846257336 979428139 /nfs/dbraw/zinc/42/81/39/979428139.db2.gz OTTDFVLTHHFUSM-HEHZLSOZSA-N 0 1 287.403 3.533 20 0 CHADMN C[C@H](C[N@@H+](Cc1cc2ccccc2s1)C1CC1)C(=O)[O-] ZINC000846276486 979444630 /nfs/dbraw/zinc/44/46/30/979444630.db2.gz SSXOWRBCRNDPMI-LLVKDONJSA-N 0 1 289.400 3.586 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000859810452 979640387 /nfs/dbraw/zinc/64/03/87/979640387.db2.gz OJVNONDDESPMTN-ZBFHGGJFSA-N 0 1 267.413 3.556 20 0 CHADMN C[C@H](Cc1ccsc1)[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC001592905914 979838565 /nfs/dbraw/zinc/83/85/65/979838565.db2.gz HYZLKZSOLBFTIM-SNVBAGLBSA-N 0 1 295.429 3.571 20 0 CHADMN C[C@H](Cc1ccsc1)[N@@H+](C)Cc1cc(C(=O)[O-])cs1 ZINC001592906792 979849875 /nfs/dbraw/zinc/84/98/75/979849875.db2.gz OLVBBIVVJPHTES-SNVBAGLBSA-N 0 1 295.429 3.571 20 0 CHADMN CCC[C@@H](N[C@H](CC(C)C)C(=O)OCC)C1CCC1 ZINC001171036232 1131446303 /nfs/dbraw/zinc/44/63/03/1131446303.db2.gz NNKBTNWLAVQNDN-HUUCEWRRSA-N 0 1 269.429 3.523 20 0 CHADMN C[C@@H]1C[C@H](C)N1Cc1cc(Cl)cc2cccnc21 ZINC000548097449 1118457867 /nfs/dbraw/zinc/45/78/67/1118457867.db2.gz DYZYJNLCELWINO-PHIMTYICSA-N 0 1 260.768 3.871 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000872156615 980038785 /nfs/dbraw/zinc/03/87/85/980038785.db2.gz BEGCFBBHANYTKK-QGZVFWFLSA-N 0 1 283.371 3.506 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000872158825 980042033 /nfs/dbraw/zinc/04/20/33/980042033.db2.gz ISLLTCFZVXNIOD-CYBMUJFWSA-N 0 1 281.421 3.847 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)c1 ZINC000872160481 980046602 /nfs/dbraw/zinc/04/66/02/980046602.db2.gz HKPIWTXPVQQILF-GOEBONIOSA-N 0 1 297.398 3.752 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC000872160943 980048050 /nfs/dbraw/zinc/04/80/50/980048050.db2.gz MWOKSSDPNNANHA-RDJZCZTQSA-N 0 1 287.403 3.848 20 0 CHADMN C[N@@H+](Cc1ccc(/C=C\C(=O)[O-])o1)C1CCC(C)(C)CC1 ZINC000901432719 980280988 /nfs/dbraw/zinc/28/09/88/980280988.db2.gz DCXYXJMYANPJBL-SREVYHEPSA-N 0 1 291.391 3.778 20 0 CHADMN C[N@@H+](Cc1ccc(/C=C/C(=O)[O-])o1)C1CCC(C)(C)CC1 ZINC000901432720 980281562 /nfs/dbraw/zinc/28/15/62/980281562.db2.gz DCXYXJMYANPJBL-VOTSOKGWSA-N 0 1 291.391 3.778 20 0 CHADMN CC1(C)CCC[C@@H](C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)C1 ZINC000901554137 980380128 /nfs/dbraw/zinc/38/01/28/980380128.db2.gz XXPSWOLDEVDJTK-HUUCEWRRSA-N 0 1 281.440 3.780 20 0 CHADMN C[C@H]1CCCC[C@@H]1C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000901777611 980508429 /nfs/dbraw/zinc/50/84/29/980508429.db2.gz IQHFHVWNPJNUFR-DZGCQCFKSA-N 0 1 287.403 3.569 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000901897907 980609344 /nfs/dbraw/zinc/60/93/44/980609344.db2.gz UVGBFRPVGRLAMK-XOKHGSTOSA-N 0 1 293.451 3.636 20 0 CHADMN Cc1cc(C)c(/C=C/C[N@H+](CCC(=O)[O-])C(C)C)cc1C ZINC000901980533 980659855 /nfs/dbraw/zinc/65/98/55/980659855.db2.gz NJZVARGVFSRXNO-VOTSOKGWSA-N 0 1 289.419 3.810 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000901992947 980673846 /nfs/dbraw/zinc/67/38/46/980673846.db2.gz GVNXBGVKOMDVJA-GJZGRUSLSA-N 0 1 281.440 3.944 20 0 CHADMN O=C([O-])[C@H]1CCCCC[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC000902039212 980709328 /nfs/dbraw/zinc/70/93/28/980709328.db2.gz NZQQNIKKGZEWCU-QGZVFWFLSA-N 0 1 287.403 3.783 20 0 CHADMN CCc1oc(C[N@H+](CC)Cc2cccs2)cc1C(=O)[O-] ZINC000902074252 980721834 /nfs/dbraw/zinc/72/18/34/980721834.db2.gz VXSHDAALESZFFG-UHFFFAOYSA-N 0 1 293.388 3.624 20 0 CHADMN C/C(=C\c1ccccc1)C[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000902268752 980809467 /nfs/dbraw/zinc/80/94/67/980809467.db2.gz BUASUTJWSSZQBU-WYMLVPIESA-N 0 1 275.392 3.523 20 0 CHADMN CCc1oc(C[N@H+]2CCC[C@@](C)(CC)C2)cc1C(=O)[O-] ZINC000902271774 980811070 /nfs/dbraw/zinc/81/10/70/980811070.db2.gz LWCXBIDQBRLIIN-MRXNPFEDSA-N 0 1 279.380 3.552 20 0 CHADMN CC[C@@]1(C)CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001595369345 980838115 /nfs/dbraw/zinc/83/81/15/980838115.db2.gz XOPCSRFRMJLOKU-INIZCTEOSA-N 0 1 279.355 3.536 20 0 CHADMN CC(C)(CC[N@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1)C(=O)[O-] ZINC000902470101 980902102 /nfs/dbraw/zinc/90/21/02/980902102.db2.gz YQRWDSGSIDUADS-KBPBESRZSA-N 0 1 281.440 3.636 20 0 CHADMN O=C([O-])/C=C/c1ccc(C[N@H+]2CCC[C@@H]2C2CCCC2)o1 ZINC000902512946 980915462 /nfs/dbraw/zinc/91/54/62/980915462.db2.gz QPPJWJABCROUTR-ZNFPLGDCSA-N 0 1 289.375 3.532 20 0 CHADMN Cc1ccc(C)c([C@@H]2CCC[N@H+]2CCC(C)(C)C(=O)[O-])c1 ZINC000902525703 980922034 /nfs/dbraw/zinc/92/20/34/980922034.db2.gz KUOOGPFVQJKSCI-INIZCTEOSA-N 0 1 289.419 3.941 20 0 CHADMN C[C@H](C1CCCCC1)[N@@H+](C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902546315 980929098 /nfs/dbraw/zinc/92/90/98/980929098.db2.gz UELFJTPQROVOGA-BSYHEUMXSA-N 0 1 291.391 3.778 20 0 CHADMN CC(C)[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc2ccccc21 ZINC000903404761 980958573 /nfs/dbraw/zinc/95/85/73/980958573.db2.gz LJIQVHBUNUHXJE-UHFFFAOYSA-N 0 1 291.778 3.788 20 0 CHADMN CC(C)Cc1ccccc1C[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000903607372 980987657 /nfs/dbraw/zinc/98/76/57/980987657.db2.gz AHSVKWQFUANVOS-CQSZACIVSA-N 0 1 289.419 3.713 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C(C)(C)C1 ZINC000903891159 981023728 /nfs/dbraw/zinc/02/37/28/981023728.db2.gz KATDKYPWFSPTTG-GFCCVEGCSA-N 0 1 298.386 3.553 20 0 CHADMN O=C([O-])c1cccc2c1C[N@@H+](CC1CCC3(CC3)CC1)CC2 ZINC000903901850 981028937 /nfs/dbraw/zinc/02/89/37/981028937.db2.gz RJROIUIITMPAOB-UHFFFAOYSA-N 0 1 299.414 3.713 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC001595444545 981088992 /nfs/dbraw/zinc/08/89/92/981088992.db2.gz QVLAUCOXOCBRPY-WBMJQRKESA-N 0 1 293.382 3.925 20 0 CHADMN C[N@@H+](CCC1=CCCCC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905370166 981093832 /nfs/dbraw/zinc/09/38/32/981093832.db2.gz RZKIJDOYROPQJA-MRXNPFEDSA-N 0 1 273.376 3.635 20 0 CHADMN Cc1ccc(CCC[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000905370631 981093846 /nfs/dbraw/zinc/09/38/46/981093846.db2.gz YEPWTVPMRPKAGF-GOSISDBHSA-N 0 1 297.398 3.685 20 0 CHADMN CCC[C@@H](C)CCC[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905371642 981094222 /nfs/dbraw/zinc/09/42/22/981094222.db2.gz GPAVYWWUFYZCBD-GDBMZVCRSA-N 0 1 277.408 3.961 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2)C1 ZINC001595453890 981122032 /nfs/dbraw/zinc/12/20/32/981122032.db2.gz ZYEAAZWNMDWEOU-SMDDNHRTSA-N 0 1 281.783 3.588 20 0 CHADMN CC[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)[C@H]1C ZINC001595463706 981146756 /nfs/dbraw/zinc/14/67/56/981146756.db2.gz DNDJMQMTFCTYIC-QWRGUYRKSA-N 0 1 281.783 3.659 20 0 CHADMN CC[C@@H]1CC[N@@H+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2)[C@@H]1C ZINC001595464472 981150146 /nfs/dbraw/zinc/15/01/46/981150146.db2.gz ORVONWLNMFHCNW-JTNHKYCSSA-N 0 1 281.783 3.586 20 0 CHADMN CCC[C@H](C)CCC[N@@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC001595571734 981481190 /nfs/dbraw/zinc/48/11/90/981481190.db2.gz VIZQWFVMUHIAHR-ZDUSSCGKSA-N 0 1 267.413 3.675 20 0 CHADMN CCC[C@@H]([NH2+][C@H](C)c1cc(C(=O)[O-])co1)c1ccccn1 ZINC001595601138 981586933 /nfs/dbraw/zinc/58/69/33/981586933.db2.gz VDCCXRVTHRASMD-BXUZGUMPSA-N 0 1 288.347 3.565 20 0 CHADMN CCc1cnc(CN[C@H]2CC23CCCCC3)s1 ZINC000395039798 1118655807 /nfs/dbraw/zinc/65/58/07/1118655807.db2.gz FFXLYAPYLUULMP-LBPRGKRZSA-N 0 1 250.411 3.518 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001595628872 981791816 /nfs/dbraw/zinc/79/18/16/981791816.db2.gz OSZCOUREUIMSTC-ZFWWWQNUSA-N 0 1 295.810 3.773 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC001595629049 981794914 /nfs/dbraw/zinc/79/49/14/981794914.db2.gz VMAOYMGGCMCJMD-NVXWUHKLSA-N 0 1 293.382 3.509 20 0 CHADMN CC[C@](C)(C(=O)[O-])[N@H+](Cc1ccc(C)c(C)c1)CC1CC1 ZINC001594787567 981822422 /nfs/dbraw/zinc/82/24/22/981822422.db2.gz IDHIKPYDDSEHGG-GOSISDBHSA-N 0 1 289.419 3.769 20 0 CHADMN CCC(C)(C)CC[N@@H+](CC1CC1)[C@](C)(CC)C(=O)[O-] ZINC001594808261 981915694 /nfs/dbraw/zinc/91/56/94/981915694.db2.gz KICVNUXZVFUZCA-MRXNPFEDSA-N 0 1 269.429 3.778 20 0 CHADMN CCN(Cc1cccs1)Cc1cnc(F)c(C)c1 ZINC000891510586 1118698955 /nfs/dbraw/zinc/69/89/55/1118698955.db2.gz GXUMDGQAZBRZJD-UHFFFAOYSA-N 0 1 264.369 3.613 20 0 CHADMN COc1ccc(F)c(F)c1CN1CCC[C@H]1C(C)C ZINC001143412993 1118827648 /nfs/dbraw/zinc/82/76/48/1118827648.db2.gz JTMRWFHJGUWJMI-ZDUSSCGKSA-N 0 1 269.335 3.594 20 0 CHADMN Cc1ncc([C@H](C)NCc2c(C)cc(C)nc2C)s1 ZINC000639997315 1118877652 /nfs/dbraw/zinc/87/76/52/1118877652.db2.gz XQPSXAZZLHEBFB-LBPRGKRZSA-N 0 1 275.421 3.623 20 0 CHADMN CCc1nc([C@@H](C)Sc2ccc(Cl)cc2)n[nH]1 ZINC000657227999 1118925959 /nfs/dbraw/zinc/92/59/59/1118925959.db2.gz NTLGPYBYOPRRJV-MRVPVSSYSA-N 0 1 267.785 3.874 20 0 CHADMN Cc1nc(CN[C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)cs1 ZINC000657250295 1118934924 /nfs/dbraw/zinc/93/49/24/1118934924.db2.gz GDGQIVRQRRDWCJ-CHWSQXEVSA-N 0 1 282.453 3.523 20 0 CHADMN CC1(C)CC[C@@H](CCNCc2csc(C3CC3)n2)OC1 ZINC000897477587 1125486346 /nfs/dbraw/zinc/48/63/46/1125486346.db2.gz CNOFHRYLLROAHF-AWEZNQCLSA-N 0 1 294.464 3.705 20 0 CHADMN COc1cncc(CN(C)[C@H](C)c2cccs2)c1C ZINC000637919916 1129236688 /nfs/dbraw/zinc/23/66/88/1129236688.db2.gz OEXWTSPOUMFGMS-GFCCVEGCSA-N 0 1 276.405 3.653 20 0 CHADMN CC[N@@H+](CC1CCC1)[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001596294233 983715333 /nfs/dbraw/zinc/71/53/33/983715333.db2.gz KJLIZATZFHHZDZ-CQSZACIVSA-N 0 1 281.783 3.588 20 0 CHADMN CC[N@@H+](CCC1CC1)[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001596320705 983751371 /nfs/dbraw/zinc/75/13/71/983751371.db2.gz ICTCPDYBIXURCY-AWEZNQCLSA-N 0 1 281.783 3.588 20 0 CHADMN CC[N@@H+](CCC1C2CC3CC(C2)CC1C3)C(C)(C)C(=O)[O-] ZINC001596321426 983755582 /nfs/dbraw/zinc/75/55/82/983755582.db2.gz VKDOKJIUPABPEV-UHFFFAOYSA-N 0 1 293.451 3.634 20 0 CHADMN Fc1ccc(OC2CCN(CCC(F)(F)F)CC2)cc1 ZINC000077316376 1119191386 /nfs/dbraw/zinc/19/13/86/1119191386.db2.gz HOZVNOMDPLUPRW-UHFFFAOYSA-N 0 1 291.288 3.621 20 0 CHADMN Cc1nc2ccc(NC(=O)CSCCC(C)C)cc2[nH]1 ZINC000048951299 1125489486 /nfs/dbraw/zinc/48/94/86/1125489486.db2.gz LDFHVRNHFKIWFC-UHFFFAOYSA-N 0 1 291.420 3.589 20 0 CHADMN C/C(=C/C[N@H+](C)C1(Cc2ccccc2)CCCC1)C(=O)[O-] ZINC001588956319 984702723 /nfs/dbraw/zinc/70/27/23/984702723.db2.gz LJZIEBRYUOLPPN-GDNBJRDFSA-N 0 1 287.403 3.505 20 0 CHADMN C[C@H]1C[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)CC(C)(C)C1 ZINC001594501515 985688718 /nfs/dbraw/zinc/68/87/18/985688718.db2.gz OZIZPJKRJBHDKO-RISCZKNCSA-N 0 1 295.810 3.834 20 0 CHADMN CC/C=C\CCN[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000343562142 1119453776 /nfs/dbraw/zinc/45/37/76/1119453776.db2.gz XWJITJMNUPYDBM-CFHLNLSMSA-N 0 1 263.385 3.590 20 0 CHADMN Cc1cnccc1CN[C@@H](C)c1ccccc1Cl ZINC000229657440 1125495211 /nfs/dbraw/zinc/49/52/11/1125495211.db2.gz DGZOGHRIKRESEP-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN FC(F)(F)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000076181453 1119497846 /nfs/dbraw/zinc/49/78/46/1119497846.db2.gz WEBXHYSVIAWQQN-GHMZBOCLSA-N 0 1 297.242 3.859 20 0 CHADMN C[C@H]1CCCN1Cc1ccc(F)cc1Br ZINC000049595414 1125497140 /nfs/dbraw/zinc/49/71/40/1125497140.db2.gz NFXAPWTVODPXML-VIFPVBQESA-N 0 1 272.161 3.573 20 0 CHADMN CCc1[nH]c(C[N@H+](C)[C@H]2CCCC[C@@H]2CC)cc1C(=O)[O-] ZINC001597380221 987570426 /nfs/dbraw/zinc/57/04/26/987570426.db2.gz AWCWSIMVFWOHQE-LRDDRELGSA-N 0 1 292.423 3.676 20 0 CHADMN CCc1[nH]c(C[N@H+]2CCCC(CC)(CC)C2)cc1C(=O)[O-] ZINC001597385955 987599433 /nfs/dbraw/zinc/59/94/33/987599433.db2.gz YTIGSLBSIXKXDQ-UHFFFAOYSA-N 0 1 292.423 3.678 20 0 CHADMN CCc1ccc([C@H](C)NCc2cc(COC)cs2)o1 ZINC000658209620 1119702545 /nfs/dbraw/zinc/70/25/45/1119702545.db2.gz QNBQDYGAMQOSGC-NSHDSACASA-N 0 1 279.405 3.901 20 0 CHADMN Cc1ncsc1CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000191662208 1119740662 /nfs/dbraw/zinc/74/06/62/1119740662.db2.gz LKDFHLZCRZKUTA-LLVKDONJSA-N 0 1 292.370 3.862 20 0 CHADMN CC(C)(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001589764364 988101257 /nfs/dbraw/zinc/10/12/57/988101257.db2.gz IHNKXHZVUNUYCW-KKUMJFAQSA-N 0 1 281.440 3.636 20 0 CHADMN CCc1noc([C@H](C)N2C[C@H](c3ccccc3)C[C@@H]2C)n1 ZINC000115555888 1125503891 /nfs/dbraw/zinc/50/38/91/1125503891.db2.gz IJINNIAHFSLOFV-KCQAQPDRSA-N 0 1 285.391 3.571 20 0 CHADMN C[C@@H](NCc1ccc(F)c(F)c1)c1ccsc1 ZINC000050344768 1125503978 /nfs/dbraw/zinc/50/39/78/1125503978.db2.gz UFKHRIXWYPQTKI-SECBINFHSA-N 0 1 253.317 3.877 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]1CC(C)C ZINC001597762677 989199243 /nfs/dbraw/zinc/19/92/43/989199243.db2.gz IVLKRPVULKXLSZ-CYBMUJFWSA-N 0 1 279.380 3.551 20 0 CHADMN CC(C)=CCO[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001205026226 1120100579 /nfs/dbraw/zinc/10/05/79/1120100579.db2.gz TXXAOIYAENXUBH-INIZCTEOSA-N 0 1 279.811 3.897 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000659803136 1120113286 /nfs/dbraw/zinc/11/32/86/1120113286.db2.gz DFGDBSNWIQGUGC-JKSUJKDBSA-N 0 1 281.440 3.778 20 0 CHADMN CSCc1cccc(CN[C@@H](C)c2ccoc2)c1 ZINC000188725138 1120131408 /nfs/dbraw/zinc/13/14/08/1120131408.db2.gz JDYNPZLKWMVLEJ-LBPRGKRZSA-N 0 1 261.390 3.993 20 0 CHADMN CC(C)[C@@H]1CCCCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC001591088869 991626362 /nfs/dbraw/zinc/62/63/62/991626362.db2.gz NPEQZBMJPZWRRF-AWEZNQCLSA-N 0 1 281.421 3.847 20 0 CHADMN CC(C)[C@@H]1[C@@H](C(C)C)C[N@H+]1Cc1ccsc1C(=O)[O-] ZINC001591096110 991683991 /nfs/dbraw/zinc/68/39/91/991683991.db2.gz ABIVBSCKLNYTGU-CHWSQXEVSA-N 0 1 281.421 3.559 20 0 CHADMN CC(C)[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2F)[C@H]1C(C)C ZINC001591096171 991685786 /nfs/dbraw/zinc/68/57/86/991685786.db2.gz BCXBRIAVWCHPLI-ZBFHGGJFSA-N 0 1 293.382 3.636 20 0 CHADMN CC(C)[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])cs2)[C@@H]1C(C)C ZINC001591096465 991687137 /nfs/dbraw/zinc/68/71/37/991687137.db2.gz FKPOCQDQISYZPT-UONOGXRCSA-N 0 1 281.421 3.559 20 0 CHADMN CC(C)[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)[C@H]1C(C)C ZINC001591096652 991691418 /nfs/dbraw/zinc/69/14/18/991691418.db2.gz NMNBLKLSEJFOLU-ZBFHGGJFSA-N 0 1 293.382 3.636 20 0 CHADMN CC(C)[C@H]1c2ccccc2CC[N@@H+]1Cc1ccoc1C(=O)[O-] ZINC001591104836 991730311 /nfs/dbraw/zinc/73/03/11/991730311.db2.gz KYCYOGDXAUEGBD-INIZCTEOSA-N 0 1 299.370 3.733 20 0 CHADMN CC(C)C[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC001591207564 992043193 /nfs/dbraw/zinc/04/31/93/992043193.db2.gz RBAAXRBSOUMMOY-GFCCVEGCSA-N 0 1 281.421 3.704 20 0 CHADMN CSc1ccc(CN[C@H](C)c2c(C)noc2C)cc1 ZINC000073006777 1120206384 /nfs/dbraw/zinc/20/63/84/1120206384.db2.gz SJUOKAKYRSPPPH-SNVBAGLBSA-N 0 1 276.405 3.864 20 0 CHADMN CC(C)CC[N@@H+](Cc1ccc(C(=O)[O-])n1C)C1CCCC1 ZINC001591245281 992135032 /nfs/dbraw/zinc/13/50/32/992135032.db2.gz LBJZECLMTBQQSA-UHFFFAOYSA-N 0 1 292.423 3.514 20 0 CHADMN C[N@@H+](Cc1cc(C(=O)[O-])co1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001598506703 992514302 /nfs/dbraw/zinc/51/43/02/992514302.db2.gz FSRHJFFTXZEAJD-UONOGXRCSA-N 0 1 279.380 3.624 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@H](C3CCCCC3)C2)s1 ZINC000661577939 1120256260 /nfs/dbraw/zinc/25/62/60/1120256260.db2.gz GYRGZDGBHFXOEE-RISCZKNCSA-N 0 1 279.453 3.810 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])o1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001598516157 992619097 /nfs/dbraw/zinc/61/90/97/992619097.db2.gz DZGKVRGPRPINBB-QWHCGFSZSA-N 0 1 279.380 3.624 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC001591490809 992624199 /nfs/dbraw/zinc/62/41/99/992624199.db2.gz HHZKNDPMWDZDLK-QGZVFWFLSA-N 0 1 289.419 3.714 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1scnc1C1CC1 ZINC000355190667 1120277492 /nfs/dbraw/zinc/27/74/92/1120277492.db2.gz AGMFOTCGIUEDAW-SCZZXKLOSA-N 0 1 290.354 3.793 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000311324410 1120320389 /nfs/dbraw/zinc/32/03/89/1120320389.db2.gz AMCFGHOWPYTSHP-GHMZBOCLSA-N 0 1 281.783 3.696 20 0 CHADMN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ccc(C(=O)[O-])o1 ZINC001593353354 994978692 /nfs/dbraw/zinc/97/86/92/994978692.db2.gz UIIXLWOAXPTXBK-DTWKUNHWSA-N 0 1 295.285 3.668 20 0 CHADMN C[C@@]1(F)CCCN([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168721721 1120501614 /nfs/dbraw/zinc/50/16/14/1120501614.db2.gz RQKVDZXJSYWWCM-SWLSCSKDSA-N 0 1 267.775 3.631 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC001593693399 996143903 /nfs/dbraw/zinc/14/39/03/996143903.db2.gz LKZGQOZTXXMUCS-PXAZEXFGSA-N 0 1 293.382 3.544 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000428944724 1120581602 /nfs/dbraw/zinc/58/16/02/1120581602.db2.gz UZZVBPYBRZXLQK-MNOVXSKESA-N 0 1 290.329 3.879 20 0 CHADMN CC[C@H](C)N(CC)Cc1csc(-c2ccccn2)n1 ZINC000661105240 1120718543 /nfs/dbraw/zinc/71/85/43/1120718543.db2.gz DWKMCQOFLIZGDL-LBPRGKRZSA-N 0 1 275.421 3.826 20 0 CHADMN C[C@]1(C2CCCCC2)CC[N@H+]1C[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001593992846 997276164 /nfs/dbraw/zinc/27/61/64/997276164.db2.gz PLVVBFZJSNUOEN-QILLFSRXSA-N 0 1 293.451 3.922 20 0 CHADMN FCC[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000661691820 1120796670 /nfs/dbraw/zinc/79/66/70/1120796670.db2.gz YMVDJAXGGREAMP-NSHDSACASA-N 0 1 257.299 3.536 20 0 CHADMN CC(C)c1cccc(CNCc2ccc(F)cn2)c1 ZINC000663319056 1120925467 /nfs/dbraw/zinc/92/54/67/1120925467.db2.gz OYCGTWFYUXRFOM-UHFFFAOYSA-N 0 1 258.340 3.634 20 0 CHADMN CCCCCC[C@H](CC)CN(C)C(=O)C1(N(C)C)CC1 ZINC001167822304 1120991805 /nfs/dbraw/zinc/99/18/05/1120991805.db2.gz HIYBNIRFTBDFEG-HNNXBMFYSA-N 0 1 282.472 3.536 20 0 CHADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001594166707 998634427 /nfs/dbraw/zinc/63/44/27/998634427.db2.gz ARXBQFKNXDIXBI-LRDDRELGSA-N 0 1 299.414 3.736 20 0 CHADMN CC(C)c1noc([C@H](C)N2C[C@H](C)CC(C)(C)C2)n1 ZINC000344033930 1121060138 /nfs/dbraw/zinc/06/01/38/1121060138.db2.gz GFRRTTQUKREODW-NEPJUHHUSA-N 0 1 265.401 3.622 20 0 CHADMN C[C@@H]1CCCCCN1CC(=O)Nc1ccc(Cl)cc1 ZINC000512156399 1121127527 /nfs/dbraw/zinc/12/75/27/1121127527.db2.gz ZIJVJMUABBFLIJ-GFCCVEGCSA-N 0 1 280.799 3.543 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1CCCCC(=O)[O-] ZINC001594270103 999043722 /nfs/dbraw/zinc/04/37/22/999043722.db2.gz PYZKDMFKHNNTJN-YCPHGPKFSA-N 0 1 275.392 3.508 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC001594270663 999046235 /nfs/dbraw/zinc/04/62/35/999046235.db2.gz YIQNSTHKTXUUHD-RDTXWAMCSA-N 0 1 295.382 3.968 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@@H+](CCC(F)(F)F)CC(=O)[O-])C1 ZINC001594345326 999306245 /nfs/dbraw/zinc/30/62/45/999306245.db2.gz SBQVYVZJIOAVLW-VXGBXAGGSA-N 0 1 295.345 3.542 20 0 CHADMN CC(C)[N@@H+](Cc1nc2ccc(F)cc2s1)C1CC1 ZINC000432737045 1121302753 /nfs/dbraw/zinc/30/27/53/1121302753.db2.gz IQDXXIHQLGBTKP-UHFFFAOYSA-N 0 1 264.369 3.808 20 0 CHADMN CC(C)N(Cc1nc2ccc(F)cc2s1)C1CC1 ZINC000432737045 1121302761 /nfs/dbraw/zinc/30/27/61/1121302761.db2.gz IQDXXIHQLGBTKP-UHFFFAOYSA-N 0 1 264.369 3.808 20 0 CHADMN CCc1ncsc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175698630 1121415895 /nfs/dbraw/zinc/41/58/95/1121415895.db2.gz CKIUDTCKZOTETK-UHFFFAOYSA-N 0 1 258.350 3.634 20 0 CHADMN FC(F)(F)[C@@H]1CC=CC[C@H]1NCc1nc(Cl)cs1 ZINC000877760010 1121755099 /nfs/dbraw/zinc/75/50/99/1121755099.db2.gz BJRBRDSJLSIIEN-HTQZYQBOSA-N 0 1 296.745 3.783 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1csc(C(F)(F)F)c1 ZINC001179898576 1121919078 /nfs/dbraw/zinc/91/90/78/1121919078.db2.gz PZVWUTLROJBCBC-DTWKUNHWSA-N 0 1 263.328 3.997 20 0 CHADMN Cc1ccc([C@@H]2COCCN2CC(C(C)C)C(C)C)o1 ZINC001179958397 1121937166 /nfs/dbraw/zinc/93/71/66/1121937166.db2.gz ZLIARYSJLCZQSW-INIZCTEOSA-N 0 1 279.424 3.890 20 0 CHADMN Fc1ccc(CN(CC2CC2)C2CC2)c(Br)c1 ZINC000070940022 1122010150 /nfs/dbraw/zinc/01/01/50/1122010150.db2.gz AQIJZSRLXGLJHP-UHFFFAOYSA-N 0 1 298.199 3.963 20 0 CHADMN FC(F)(F)c1ccc(CNC/C=C/C2CC2)c(Cl)n1 ZINC001182085481 1122110002 /nfs/dbraw/zinc/11/00/02/1122110002.db2.gz FYFNSXQTWSSESG-OWOJBTEDSA-N 0 1 290.716 3.810 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccns1)CCS2 ZINC000404472905 1122201640 /nfs/dbraw/zinc/20/16/40/1122201640.db2.gz SKWCXBDVZOKZSX-LBPRGKRZSA-N 0 1 280.393 3.609 20 0 CHADMN CC[C@@H](C)CCC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000505228609 1122349137 /nfs/dbraw/zinc/34/91/37/1122349137.db2.gz BBCRCUKNYKMREJ-SNVBAGLBSA-N 0 1 259.353 3.636 20 0 CHADMN C[C@@H](NCCc1cccc(Cl)c1Cl)c1ccon1 ZINC000434481546 1122372568 /nfs/dbraw/zinc/37/25/68/1122372568.db2.gz HBKFIRZMKQLZBU-SECBINFHSA-N 0 1 285.174 3.875 20 0 CHADMN Cc1ccc(C[N@@H+](CCO)Cc2cc(Cl)cs2)cc1 ZINC000426148646 1122724248 /nfs/dbraw/zinc/72/42/48/1122724248.db2.gz JUFMRWLWRMGJSH-UHFFFAOYSA-N 0 1 295.835 3.704 20 0 CHADMN Cc1ccc(CN(CCO)Cc2cc(Cl)cs2)cc1 ZINC000426148646 1122724252 /nfs/dbraw/zinc/72/42/52/1122724252.db2.gz JUFMRWLWRMGJSH-UHFFFAOYSA-N 0 1 295.835 3.704 20 0 CHADMN Cc1ncoc1CN(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000894815403 1122908270 /nfs/dbraw/zinc/90/82/70/1122908270.db2.gz PURMYBOYAACIDP-MNOVXSKESA-N 0 1 276.302 3.536 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1cc(Cl)n(C)n1)C1CCCCC1 ZINC001196819330 1122935474 /nfs/dbraw/zinc/93/54/74/1122935474.db2.gz SLSZEEVJSDTYQF-LBPRGKRZSA-N 0 1 283.847 3.722 20 0 CHADMN C[C@@H](CN(C)Cc1cc(Cl)n(C)n1)C1CCCCC1 ZINC001196819330 1122935479 /nfs/dbraw/zinc/93/54/79/1122935479.db2.gz SLSZEEVJSDTYQF-LBPRGKRZSA-N 0 1 283.847 3.722 20 0 CHADMN CC[N@@H+](Cc1cc(C)c(C)cc1OC(F)F)C1CC1 ZINC000507222485 1122939637 /nfs/dbraw/zinc/93/96/37/1122939637.db2.gz VEIPWRZMNOHZEL-UHFFFAOYSA-N 0 1 269.335 3.889 20 0 CHADMN F[C@@H]1CCCN(CCCOc2cccc(Cl)c2)C1 ZINC001198468182 1122993558 /nfs/dbraw/zinc/99/35/58/1122993558.db2.gz SXAMYNHIMIVODF-CYBMUJFWSA-N 0 1 271.763 3.543 20 0 CHADMN CC[C@@H](F)CN1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000440775936 1123037172 /nfs/dbraw/zinc/03/71/72/1123037172.db2.gz BRBOSNSCTPCACL-OCCSQVGLSA-N 0 1 271.763 3.541 20 0 CHADMN CN(CCC1CC1)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000441220254 1123066622 /nfs/dbraw/zinc/06/66/22/1123066622.db2.gz BJQVJNOJSYXYPF-UHFFFAOYSA-N 0 1 298.217 3.873 20 0 CHADMN CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C)[C@@H](C)C(C)C ZINC000441280805 1123073716 /nfs/dbraw/zinc/07/37/16/1123073716.db2.gz FDPCZTDDYURSKD-ZDUSSCGKSA-N 0 1 296.480 3.978 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@H](F)C(F)(F)CC2)c1 ZINC001143580761 1123077780 /nfs/dbraw/zinc/07/77/80/1123077780.db2.gz VJCLPQGWCHNJGV-ZDUSSCGKSA-N 0 1 275.289 3.703 20 0 CHADMN CCCCc1noc([C@@H](C)N[C@@H]2CCCC2(C)C)n1 ZINC000191860508 1123182241 /nfs/dbraw/zinc/18/22/41/1123182241.db2.gz QHNIKUICHFDTCM-VXGBXAGGSA-N 0 1 265.401 3.642 20 0 CHADMN Cc1cc(CN[C@@H]2CC[C@H](C)c3ccsc32)on1 ZINC000334542065 1123249611 /nfs/dbraw/zinc/24/96/11/1123249611.db2.gz GODAYNJHUHMOHR-TVQRCGJNSA-N 0 1 262.378 3.773 20 0 CHADMN C[C@H](OC(=O)CCCF)c1nc2ccc(Cl)cc2[nH]1 ZINC000850834754 1123304983 /nfs/dbraw/zinc/30/49/83/1123304983.db2.gz MLBXBVHDSVTCBS-QMMMGPOBSA-N 0 1 284.718 3.570 20 0 CHADMN CCC[C@H](NCc1ccc(F)cn1)c1ccsc1 ZINC000443086091 1123355200 /nfs/dbraw/zinc/35/52/00/1123355200.db2.gz LQIVYWYAKWFFKA-AWEZNQCLSA-N 0 1 264.369 3.913 20 0 CHADMN Cc1cc(CN(C)C2CC(F)(F)C2)cc(F)c1F ZINC001143592167 1123418921 /nfs/dbraw/zinc/41/89/21/1123418921.db2.gz QHMOBYFOPJTCIL-UHFFFAOYSA-N 0 1 261.262 3.503 20 0 CHADMN C[C@H]1CCN(Cc2ncc(C(C)(C)C)o2)C[C@@H](C)C1 ZINC000443640955 1123455044 /nfs/dbraw/zinc/45/50/44/1123455044.db2.gz KSPWBQFTORARGM-STQMWFEESA-N 0 1 264.413 3.840 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCO[C@H](C)[C@@H]1C ZINC000443641436 1123457523 /nfs/dbraw/zinc/45/75/23/1123457523.db2.gz POLJYGMOTQUKRA-NWDGAFQWSA-N 0 1 287.325 3.623 20 0 CHADMN CCC1(CC)CCN(Cn2cc(C)cnc2=S)CC1 ZINC000776772967 1123502946 /nfs/dbraw/zinc/50/29/46/1123502946.db2.gz XSMGQDZFGFNXFN-UHFFFAOYSA-N 0 1 279.453 3.781 20 0 CHADMN FC(F)(F)c1cc(CN2C[C@@H]3CSC[C@@H]3C2)cs1 ZINC000895777012 1123513543 /nfs/dbraw/zinc/51/35/43/1123513543.db2.gz ONVYGQKYZCBBGM-AOOOYVTPSA-N 0 1 293.379 3.562 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cn(C)nc2Cl)c1C ZINC000856771080 1123568049 /nfs/dbraw/zinc/56/80/49/1123568049.db2.gz YPYYLLCNOXQYBF-GFCCVEGCSA-N 0 1 277.799 3.541 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)C2)cc1F ZINC000859215394 1123690904 /nfs/dbraw/zinc/69/09/04/1123690904.db2.gz FTTFFMSCFSGICP-LLVKDONJSA-N 0 1 261.262 3.518 20 0 CHADMN Cc1ccc(CN2CCC[C@H](C(F)(F)F)[C@H]2C)nc1 ZINC000336327298 1123761074 /nfs/dbraw/zinc/76/10/74/1123761074.db2.gz UXDJAHADMRUCDI-YPMHNXCESA-N 0 1 272.314 3.553 20 0 CHADMN Cc1c([C@H](C)N[C@@H]2CCCC[C@@H]2F)cnn1C(C)C ZINC000866449436 1124065948 /nfs/dbraw/zinc/06/59/48/1124065948.db2.gz BWVATOAGBSDJFS-TUKIKUTGSA-N 0 1 267.392 3.704 20 0 CHADMN C[C@@H](NCc1ccnc(F)c1)c1csc(Cl)c1 ZINC000866474601 1124070115 /nfs/dbraw/zinc/07/01/15/1124070115.db2.gz NNDISYHYBJYBBE-MRVPVSSYSA-N 0 1 270.760 3.786 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2csc(-c3ccco3)n2)C1 ZINC000525423373 1124127669 /nfs/dbraw/zinc/12/76/69/1124127669.db2.gz SRGAEAKLVSCKSI-QWRGUYRKSA-N 0 1 262.378 3.633 20 0 CHADMN CC(C)c1nnc(CN2C[C@H](C)CCC[C@H]2C)s1 ZINC000450437744 1125023534 /nfs/dbraw/zinc/02/35/34/1125023534.db2.gz TYNJXIOWJZUVTG-VXGBXAGGSA-N 0 1 267.442 3.672 20 0 CHADMN C[C@@H](Cc1ccc(F)cc1)NCc1ncc(Cl)s1 ZINC000225316126 1125162775 /nfs/dbraw/zinc/16/27/75/1125162775.db2.gz IBQLQQOBLKBEIO-VIFPVBQESA-N 0 1 284.787 3.656 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC(C(C)(C)O)CC1 ZINC000879625859 1125220709 /nfs/dbraw/zinc/22/07/09/1125220709.db2.gz LDMMXXYLQJARNW-NSHDSACASA-N 0 1 283.362 3.509 20 0 CHADMN FC(F)(F)c1cnc(CNCC2(CC3CC3)CC2)s1 ZINC000883248798 1125384446 /nfs/dbraw/zinc/38/44/46/1125384446.db2.gz GULDMKZRVDGNJG-UHFFFAOYSA-N 0 1 290.354 3.832 20 0 CHADMN C/C(=C\c1ccccc1)CNCc1nc(C)cs1 ZINC000171049565 1125400612 /nfs/dbraw/zinc/40/06/12/1125400612.db2.gz KSHJNXJTOKZZRD-XYOKQWHBSA-N 0 1 258.390 3.645 20 0 CHADMN CCc1nc(CN[C@H](C)C[C@@H](C)CC(C)C)co1 ZINC000825058167 1131496814 /nfs/dbraw/zinc/49/68/14/1131496814.db2.gz TWJWEOOSJHAABF-QWHCGFSZSA-N 0 1 252.402 3.787 20 0 CHADMN COc1ccc(CN2CCC(C)(C)C2)cc1C(F)(F)F ZINC001143644893 1131521473 /nfs/dbraw/zinc/52/14/73/1131521473.db2.gz LRQBHIRQQCFPMQ-UHFFFAOYSA-N 0 1 287.325 3.946 20 0 CHADMN Cc1nsc(C)c1CN(C)CCc1ccccc1F ZINC000846802329 1131741394 /nfs/dbraw/zinc/74/13/94/1131741394.db2.gz GJJIFXONNLWSPT-UHFFFAOYSA-N 0 1 278.396 3.574 20 0 CHADMN CCCN(Cc1c(F)cc(F)cc1F)CC(C)C ZINC001140535635 1131782982 /nfs/dbraw/zinc/78/29/82/1131782982.db2.gz DCBURKPWIZDCCE-UHFFFAOYSA-N 0 1 259.315 3.972 20 0 CHADMN COc1ccc(CN2CCCC23CC3)c(Br)c1 ZINC001140758696 1131907980 /nfs/dbraw/zinc/90/79/80/1131907980.db2.gz NZTGCGIWAHWKOB-UHFFFAOYSA-N 0 1 296.208 3.586 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1cc(O)cc(Cl)c1 ZINC001140794580 1131921962 /nfs/dbraw/zinc/92/19/62/1131921962.db2.gz QTPLBGSOBOEQCN-WDEREUQCSA-N 0 1 253.773 3.666 20 0 CHADMN CCCCc1ncc(CN2CCC(C(F)(F)F)CC2)[nH]1 ZINC001141067595 1132003099 /nfs/dbraw/zinc/00/30/99/1132003099.db2.gz IJNHTOAUXLXRHR-UHFFFAOYSA-N 0 1 289.345 3.527 20 0 CHADMN CCCC[C@@H](CCC)Oc1nc[nH]c(=O)c1Cl ZINC001230018090 1132146040 /nfs/dbraw/zinc/14/60/40/1132146040.db2.gz MRLZYSMBRYSGBP-SECBINFHSA-N 0 1 258.749 3.573 20 0 CHADMN C[C@H](Cc1cccc(F)c1)N(C)Cc1cnc(Cl)s1 ZINC000839196581 1132191881 /nfs/dbraw/zinc/19/18/81/1132191881.db2.gz WELLMTHNKUJXHQ-SNVBAGLBSA-N 0 1 298.814 3.999 20 0 CHADMN CCSC[C@H](C)N1CCc2c(Cl)cccc2C1 ZINC001173308218 1132449602 /nfs/dbraw/zinc/44/96/02/1132449602.db2.gz DVDJAHHFJMKHLY-NSHDSACASA-N 0 1 269.841 3.840 20 0 CHADMN FC1(F)CC[C@@H]2CN(Cc3cc(Cl)cs3)C[C@@H]21 ZINC001232277698 1132448478 /nfs/dbraw/zinc/44/84/78/1132448478.db2.gz DEBYEYDMMRJWQV-KCJUWKMLSA-N 0 1 277.767 3.879 20 0 CHADMN Cc1nc(Br)ccc1CN1CCCCC12CC2 ZINC001232325408 1132454856 /nfs/dbraw/zinc/45/48/56/1132454856.db2.gz OUBGLDIMBZSISD-UHFFFAOYSA-N 0 1 295.224 3.671 20 0 CHADMN CCOCC1CCN(Cc2cc(F)c(C)c(F)c2)CC1 ZINC001232422630 1132470441 /nfs/dbraw/zinc/47/04/41/1132470441.db2.gz DMEIWOOCXNSURM-UHFFFAOYSA-N 0 1 283.362 3.522 20 0 CHADMN C[C@H]1CCCN1Cc1ccc(C(F)(F)F)nc1Cl ZINC001232790317 1132521647 /nfs/dbraw/zinc/52/16/47/1132521647.db2.gz MCKDTNWTYRWIBO-QMMMGPOBSA-N 0 1 278.705 3.738 20 0 CHADMN CCCc1ccc(CN2C[C@@H](C)OC[C@H]2CC)cc1 ZINC001167017124 1133299370 /nfs/dbraw/zinc/29/93/70/1133299370.db2.gz WKFFLPVCAYWZDH-RHSMWYFYSA-N 0 1 261.409 3.638 20 0 CHADMN C[C@H]1CN(Cc2c(Cl)cccc2Cl)CCC[C@@H]1O ZINC001203416454 1133324747 /nfs/dbraw/zinc/32/47/47/1133324747.db2.gz LPYISNXRHLSNOP-HZMBPMFUSA-N 0 1 288.218 3.586 20 0 CHADMN CSc1ccnc(-c2cc(F)c(O)cc2F)c1F ZINC001206762270 1133743728 /nfs/dbraw/zinc/74/37/28/1133743728.db2.gz VATFVHRJDJSNDJ-UHFFFAOYSA-N 0 1 271.263 3.593 20 0 CHADMN CC1(C)CN(CCc2cc(F)cc(F)c2)CCC1(F)F ZINC001209128820 1133978016 /nfs/dbraw/zinc/97/80/16/1133978016.db2.gz RVMOUAPIRTVKGM-UHFFFAOYSA-N 0 1 289.316 3.875 20 0 CHADMN Cc1cccc(CN2C[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000348305967 1125508336 /nfs/dbraw/zinc/50/83/36/1125508336.db2.gz LHFNJFGIHDTVQR-CXAGYDPISA-N 0 1 252.361 3.583 20 0 CHADMN Cc1cccc(CN[C@H](C)c2cccc(Cl)c2)n1 ZINC000051573870 1125511390 /nfs/dbraw/zinc/51/13/90/1125511390.db2.gz LSOOWEHZQJWCMI-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN CN(c1nc(CN2CCC[C@H]3CCC[C@@H]32)cs1)C1CC1 ZINC000133700651 1125512313 /nfs/dbraw/zinc/51/23/13/1125512313.db2.gz TYJQGCCEJCOQBS-DOMZBBRYSA-N 0 1 291.464 3.506 20 0 CHADMN CS[C@@H]1CCCCN(Cc2csc(C(C)C)n2)C1 ZINC000134580352 1125518029 /nfs/dbraw/zinc/51/80/29/1125518029.db2.gz QVNWGNMLOFIZEJ-CYBMUJFWSA-N 0 1 284.494 3.984 20 0 CHADMN CC(C)CN(Cc1nnc(C(C)C)o1)CC(C)(C)C ZINC000134452795 1125518150 /nfs/dbraw/zinc/51/81/50/1125518150.db2.gz QTWQMXQJPBPMND-UHFFFAOYSA-N 0 1 267.417 3.697 20 0 CHADMN Cc1cc(C)[nH+]c(Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001211958186 1125521620 /nfs/dbraw/zinc/52/16/20/1125521620.db2.gz DJYVBHZHIOCADC-UHFFFAOYSA-N 0 1 276.723 3.794 20 0 CHADMN CN(CCC1CC1)Cc1ncc(-c2cccc(F)c2)o1 ZINC000135301725 1125523938 /nfs/dbraw/zinc/52/39/38/1125523938.db2.gz YFLKJGSEBGJIFV-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN CC1(CNc2ccc3c(c2)nc2n3CCCCC2)CC1 ZINC001202707327 1125526031 /nfs/dbraw/zinc/52/60/31/1125526031.db2.gz OYNLNVMJQVSSRG-UHFFFAOYSA-N 0 1 269.392 3.975 20 0 CHADMN CCn1nccc1CNC(C)(C)c1ccc(Cl)cc1 ZINC000119048719 1125527479 /nfs/dbraw/zinc/52/74/79/1125527479.db2.gz NMWHGJVOXWKAMJ-UHFFFAOYSA-N 0 1 277.799 3.581 20 0 CHADMN C[C@H](NCc1cccnc1OCC(F)F)c1ccccc1 ZINC000118963334 1125527035 /nfs/dbraw/zinc/52/70/35/1125527035.db2.gz LDLCLQKVKMRALG-LBPRGKRZSA-N 0 1 292.329 3.576 20 0 CHADMN CC(C)[N@H+](Cc1ccco1)Cc1ccc2nc[nH]c2c1 ZINC000536631980 1125537312 /nfs/dbraw/zinc/53/73/12/1125537312.db2.gz ISBNFHNZMRAKDC-UHFFFAOYSA-N 0 1 269.348 3.567 20 0 CHADMN CC(C)[N@@H+](Cc1ccco1)Cc1ccc2nc[nH]c2c1 ZINC000536631980 1125537315 /nfs/dbraw/zinc/53/73/15/1125537315.db2.gz ISBNFHNZMRAKDC-UHFFFAOYSA-N 0 1 269.348 3.567 20 0 CHADMN C[C@H](c1ccco1)N(Cc1ccc2c[nH]nc2c1)C1CC1 ZINC000119897204 1125538999 /nfs/dbraw/zinc/53/89/99/1125538999.db2.gz HUKYLAAOQSAFGN-GFCCVEGCSA-N 0 1 281.359 3.882 20 0 CHADMN COc1c(Cl)cccc1CNCc1sc(C)nc1C ZINC000897483707 1125539133 /nfs/dbraw/zinc/53/91/33/1125539133.db2.gz UDSVCRQBMUJHDO-UHFFFAOYSA-N 0 1 296.823 3.712 20 0 CHADMN OCCCN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000193937643 1125550814 /nfs/dbraw/zinc/55/08/14/1125550814.db2.gz BEYSHRKCALOIFF-ZDUSSCGKSA-N 0 1 274.191 3.513 20 0 CHADMN Fc1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)c(Cl)c1 ZINC000193991735 1125551089 /nfs/dbraw/zinc/55/10/89/1125551089.db2.gz CELGOHHYXGKIBT-LBPRGKRZSA-N 0 1 293.773 3.582 20 0 CHADMN Fc1cccc(Cl)c1CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193991424 1125551878 /nfs/dbraw/zinc/55/18/78/1125551878.db2.gz ZLMXGZXTGIYMIG-LLVKDONJSA-N 0 1 293.773 3.582 20 0 CHADMN CCC[C@H](N[C@@H](C)c1cnn(C)c1)c1ccc(F)cc1F ZINC000120874644 1125552276 /nfs/dbraw/zinc/55/22/76/1125552276.db2.gz IQVDBVSOTWEELX-ZBEGNZNMSA-N 0 1 293.361 3.890 20 0 CHADMN CSc1cc(C)cc(CN2CC3(C2)C[C@H](F)CS3)c1 ZINC001238683815 1131230780 /nfs/dbraw/zinc/23/07/80/1131230780.db2.gz VRYUFAHYZRDQMD-ZDUSSCGKSA-N 0 1 297.464 3.746 20 0 CHADMN Cc1nc(CCN[C@@H](C)c2csc(C(C)C)n2)cs1 ZINC000121224578 1125557285 /nfs/dbraw/zinc/55/72/85/1125557285.db2.gz ZBRGUDNDISSANA-JTQLQIEISA-N 0 1 295.477 3.925 20 0 CHADMN C[N@@H+](Cc1cccc([O-])c1Cl)CC1CCCC1 ZINC000393270988 1125562164 /nfs/dbraw/zinc/56/21/64/1125562164.db2.gz SBJGNIGEWVQJNU-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN C[N@H+](Cc1cccc([O-])c1Cl)CC1CCCC1 ZINC000393270988 1125562169 /nfs/dbraw/zinc/56/21/69/1125562169.db2.gz SBJGNIGEWVQJNU-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN C[C@@H]1CN(Cc2cc3ccccc3s2)[C@@H](C)CO1 ZINC000245512522 1125576617 /nfs/dbraw/zinc/57/66/17/1125576617.db2.gz ADJLOLMJPVCGRV-NWDGAFQWSA-N 0 1 261.390 3.511 20 0 CHADMN CSc1ccc(Cl)cc1CN(C)[C@@H]1CCCOC1 ZINC001238681604 1131230945 /nfs/dbraw/zinc/23/09/45/1131230945.db2.gz PXHMDPBJZHNMKV-CYBMUJFWSA-N 0 1 285.840 3.673 20 0 CHADMN Cc1cc(F)cc(NCc2ccc3nc[nH]c3c2)c1 ZINC000532890366 1125587746 /nfs/dbraw/zinc/58/77/46/1125587746.db2.gz AZENEKNOJXLFLY-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN C[C@@H]1CCN(Cc2cnc3ccccn23)[C@@H]2CCCC[C@H]12 ZINC000532917465 1125588350 /nfs/dbraw/zinc/58/83/50/1125588350.db2.gz JDDGIOGQSXRNEG-DJIMGWMZSA-N 0 1 283.419 3.735 20 0 CHADMN CN(Cc1cc2ccccc2nc1Cl)C1CCC1 ZINC000135415463 1125589268 /nfs/dbraw/zinc/58/92/68/1125589268.db2.gz MUOXYUDSFLIDSG-UHFFFAOYSA-N 0 1 260.768 3.873 20 0 CHADMN Cc1nc(CN(C)[C@H](C)C(C)(C)C)nc2ccccc12 ZINC000532929114 1125589426 /nfs/dbraw/zinc/58/94/26/1125589426.db2.gz ZRCYENLKQQVKHU-CYBMUJFWSA-N 0 1 271.408 3.805 20 0 CHADMN CCn1cc(CN2C[C@H](C)C[C@H]2c2ccccc2F)cn1 ZINC000245808108 1125594762 /nfs/dbraw/zinc/59/47/62/1125594762.db2.gz YWDLMXPSSJEBHO-DYVFJYSZSA-N 0 1 287.382 3.625 20 0 CHADMN Cc1ncccc1CN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000245790301 1125594885 /nfs/dbraw/zinc/59/48/85/1125594885.db2.gz WAEBSMYNLGLJDV-BBRMVZONSA-N 0 1 270.376 3.956 20 0 CHADMN CCCCc1nc2ccc(NC(=O)c3cccnc3)cc2[nH]1 ZINC000065904260 1125603656 /nfs/dbraw/zinc/60/36/56/1125603656.db2.gz PMGJHOQDIGBWRQ-UHFFFAOYSA-N 0 1 294.358 3.553 20 0 CHADMN CC(C)(C)[C@@H]1CCCN1Cc1nccn1Cc1ccccc1 ZINC000533428075 1125606365 /nfs/dbraw/zinc/60/63/65/1125606365.db2.gz BKKUAPGSUIXQPY-KRWDZBQOSA-N 0 1 297.446 3.942 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H](C)c1cnn(C2CCC2)c1 ZINC000925291586 1125610204 /nfs/dbraw/zinc/61/02/04/1125610204.db2.gz COXWROSMIPOHTF-KGLIPLIRSA-N 0 1 284.407 3.723 20 0 CHADMN CC(C)OCCN1CCCC[C@H]1c1ccc(F)cc1F ZINC000533536697 1125612868 /nfs/dbraw/zinc/61/28/68/1125612868.db2.gz ZYMUNLCFNGGOPJ-INIZCTEOSA-N 0 1 283.362 3.917 20 0 CHADMN Cc1nc(C2(NC[C@H]3CCCC(C)(C)C3)CCCC2)no1 ZINC000533564927 1125616226 /nfs/dbraw/zinc/61/62/26/1125616226.db2.gz HODQDYPXCCELDK-AWEZNQCLSA-N 0 1 291.439 3.953 20 0 CHADMN Cc1coc(CNCc2cccc(OC(C)C)c2)c1 ZINC000885926734 1125627445 /nfs/dbraw/zinc/62/74/45/1125627445.db2.gz HPUMIWVGEAFJRM-UHFFFAOYSA-N 0 1 259.349 3.665 20 0 CHADMN CN(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCC[C@H]1O ZINC000533669069 1125621797 /nfs/dbraw/zinc/62/17/97/1125621797.db2.gz USVSJHXKAYKODP-SMDDNHRTSA-N 0 1 288.218 3.586 20 0 CHADMN CC[C@H](c1ccccc1)N1CCO[C@@H](c2ccco2)C1 ZINC000246381530 1125622507 /nfs/dbraw/zinc/62/25/07/1125622507.db2.gz IYMVLDUMZXYTKA-NVXWUHKLSA-N 0 1 271.360 3.804 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1nccn1Cc1ccccc1 ZINC000066531851 1125623744 /nfs/dbraw/zinc/62/37/44/1125623744.db2.gz VDOMBECHLORYGJ-IYBDPMFKSA-N 0 1 283.419 3.694 20 0 CHADMN CCCCN(CCOC)Cc1ncc(-c2cccs2)o1 ZINC000068851471 1125626996 /nfs/dbraw/zinc/62/69/96/1125626996.db2.gz ZDXJOEBCBYNSRP-UHFFFAOYSA-N 0 1 294.420 3.652 20 0 CHADMN Cc1ccc(-c2nnc(CN3CCC[C@@H](C)CC3)o2)cc1 ZINC000068828939 1125627037 /nfs/dbraw/zinc/62/70/37/1125627037.db2.gz QMZRKBHINYJQCL-CYBMUJFWSA-N 0 1 285.391 3.667 20 0 CHADMN Cc1[nH]nc(CNc2ccc3oc(C(C)C)nc3c2)c1C ZINC000885933483 1125628986 /nfs/dbraw/zinc/62/89/86/1125628986.db2.gz VQTBJGBKMAQEEF-UHFFFAOYSA-N 0 1 284.363 3.903 20 0 CHADMN Cc1[nH]nc(CNc2ccc(CC(F)(F)F)cc2)c1C ZINC000886000111 1125634491 /nfs/dbraw/zinc/63/44/91/1125634491.db2.gz VKRIBCDWLZWYBI-UHFFFAOYSA-N 0 1 283.297 3.743 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1Cc1nc(C(C)C)no1 ZINC000072776208 1125636480 /nfs/dbraw/zinc/63/64/80/1125636480.db2.gz VWWYNDHVROPVII-OLZOCXBDSA-N 0 1 265.401 3.594 20 0 CHADMN CSc1cc(C)ccc1CNCc1cc(C)co1 ZINC000886016428 1125636992 /nfs/dbraw/zinc/63/69/92/1125636992.db2.gz FCUIBCQGRZQULV-UHFFFAOYSA-N 0 1 261.390 3.908 20 0 CHADMN Cc1[nH]nc(CNc2ccc3cnn(C(C)C)c3c2)c1C ZINC000886032839 1125638919 /nfs/dbraw/zinc/63/89/19/1125638919.db2.gz PJLILJYKKAFPON-UHFFFAOYSA-N 0 1 283.379 3.569 20 0 CHADMN Cc1[nH]nc(CNc2ccccc2OC(C)(C)C)c1C ZINC000886038463 1125639105 /nfs/dbraw/zinc/63/91/05/1125639105.db2.gz VYFMKDKZHPBWNY-UHFFFAOYSA-N 0 1 273.380 3.816 20 0 CHADMN Cc1[nH]nc(CNc2ccc(C)c(OCC(F)F)c2)c1C ZINC000886036166 1125639224 /nfs/dbraw/zinc/63/92/24/1125639224.db2.gz VHMNGQUGSUTKML-UHFFFAOYSA-N 0 1 295.333 3.591 20 0 CHADMN Fc1cccc([C@@H]2CCN2C[C@@H]2CC[C@@H](C3CC3)O2)c1 ZINC000886033389 1125639551 /nfs/dbraw/zinc/63/95/51/1125639551.db2.gz TYOFJXXPGSZJGV-ULQDDVLXSA-N 0 1 275.367 3.530 20 0 CHADMN Cc1coc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000886046683 1125640654 /nfs/dbraw/zinc/64/06/54/1125640654.db2.gz LXUKCIMGRKZXGR-YJBOKZPZSA-N 0 1 285.387 3.846 20 0 CHADMN c1c[nH]c([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(CCC3)CO2)c1 ZINC000886049080 1125640997 /nfs/dbraw/zinc/64/09/97/1125640997.db2.gz FROHFUBTVGCFHW-ZBFHGGJFSA-N 0 1 274.408 3.501 20 0 CHADMN CCn1ccnc1CN1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000246719438 1125647574 /nfs/dbraw/zinc/64/75/74/1125647574.db2.gz LQDSDCSCMUIFNW-RDJZCZTQSA-N 0 1 283.419 3.529 20 0 CHADMN FC(F)Sc1ccc(CNCc2ccco2)cc1 ZINC000137162462 1125651427 /nfs/dbraw/zinc/65/14/27/1125651427.db2.gz JKYBTXFZFJADRY-UHFFFAOYSA-N 0 1 269.316 3.884 20 0 CHADMN Cc1[nH]nc(CNCC(F)(F)c2ccc(Cl)cc2)c1C ZINC000886114530 1125651651 /nfs/dbraw/zinc/65/16/51/1125651651.db2.gz RDBUBLGHGCQMSJ-UHFFFAOYSA-N 0 1 299.752 3.562 20 0 CHADMN CCS[C@H](C)c1noc(CN(C)[C@H]2CCCC[C@H]2C)n1 ZINC000246992111 1125652257 /nfs/dbraw/zinc/65/22/57/1125652257.db2.gz PIIQIMJGBRBQAR-UPJWGTAASA-N 0 1 297.468 3.894 20 0 CHADMN Clc1ccc(CNc2cc3c(cn2)CCCC3)nc1 ZINC000886123209 1125652439 /nfs/dbraw/zinc/65/24/39/1125652439.db2.gz UEQDHGQJNMVQIY-UHFFFAOYSA-N 0 1 273.767 3.621 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Cl)s2)C[C@H]1n1ccnc1 ZINC000247033557 1125653381 /nfs/dbraw/zinc/65/33/81/1125653381.db2.gz DNSCHCGQBAOIPX-DGCLKSJQSA-N 0 1 295.839 3.681 20 0 CHADMN Cc1cnc(CN2CC[C@H](c3ccccc3)[C@H](C)C2)o1 ZINC000075768389 1125656009 /nfs/dbraw/zinc/65/60/09/1125656009.db2.gz JKICTHAPBQEMQR-CJNGLKHVSA-N 0 1 270.376 3.609 20 0 CHADMN Cc1[nH]nc(CNc2cccc(C3CCOCC3)c2)c1C ZINC000886169537 1125658896 /nfs/dbraw/zinc/65/88/96/1125658896.db2.gz AGVJGTGKLJOMGO-UHFFFAOYSA-N 0 1 285.391 3.533 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCN1CCSC(F)(F)F ZINC000886181537 1125660169 /nfs/dbraw/zinc/66/01/69/1125660169.db2.gz NTZIGRXFARPNBA-NKWVEPMBSA-N 0 1 281.265 3.512 20 0 CHADMN Cc1cnc(CN2CCCC3(C2)CCCCCC3)o1 ZINC000075968234 1125662294 /nfs/dbraw/zinc/66/22/94/1125662294.db2.gz ATUNOTKCTPSDRF-UHFFFAOYSA-N 0 1 262.397 3.919 20 0 CHADMN Cc1cccc([C@@H]2CCCC[N@@H+]2Cc2nccn2C)c1C ZINC000075999490 1125664041 /nfs/dbraw/zinc/66/40/41/1125664041.db2.gz RRUBSOCXXHGVBG-KRWDZBQOSA-N 0 1 283.419 3.764 20 0 CHADMN Cc1cccc([C@@H]2CCCCN2Cc2nccn2C)c1C ZINC000075999490 1125664046 /nfs/dbraw/zinc/66/40/46/1125664046.db2.gz RRUBSOCXXHGVBG-KRWDZBQOSA-N 0 1 283.419 3.764 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1CC[C@@H](C)[C@H]1C ZINC000248369444 1125664487 /nfs/dbraw/zinc/66/44/87/1125664487.db2.gz WGWONPBOWPWCQN-GMTAPVOTSA-N 0 1 277.393 3.589 20 0 CHADMN COCc1ccc([C@@H]2CCCN2[C@H](C)c2ccccn2)o1 ZINC000248613348 1125671359 /nfs/dbraw/zinc/67/13/59/1125671359.db2.gz JDULUKNTIQSDBR-CJNGLKHVSA-N 0 1 286.375 3.719 20 0 CHADMN Cc1ccc(C)c([C@H](C)N[C@H](C)c2nccnc2C)c1 ZINC000219077607 1125669988 /nfs/dbraw/zinc/66/99/88/1125669988.db2.gz DIEHDLWWPWVTQN-DZGCQCFKSA-N 0 1 269.392 3.814 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](CCO)c1ccco1)[C@H](C)C2 ZINC000248919013 1125677548 /nfs/dbraw/zinc/67/75/48/1125677548.db2.gz DRCIMVIKUPCEQX-MZMPZRCHSA-N 0 1 285.387 3.535 20 0 CHADMN CCO[C@@H](C)c1nc(CN(C)C(C2CC2)C2CC2)cs1 ZINC000076723867 1125684487 /nfs/dbraw/zinc/68/44/87/1125684487.db2.gz JFMNMFLGKDGZGF-NSHDSACASA-N 0 1 294.464 3.861 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000629376700 1125690017 /nfs/dbraw/zinc/69/00/17/1125690017.db2.gz ZWHLMYXMVFZJLQ-YWVDXFKGSA-N 0 1 291.366 3.702 20 0 CHADMN CCc1ccc(CNCc2cnc(C(C)(C)C)nc2)s1 ZINC000284293197 1125691696 /nfs/dbraw/zinc/69/16/96/1125691696.db2.gz IHVFKNLRBSCUPH-UHFFFAOYSA-N 0 1 289.448 3.688 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@H]1CCc3cccnc31)CCC2 ZINC000886587697 1125693894 /nfs/dbraw/zinc/69/38/94/1125693894.db2.gz DAOSONIURXWULZ-GXTWGEPZSA-N 0 1 285.416 3.501 20 0 CHADMN c1ccc([C@@H](N[C@@H]2CCc3cccnc32)C2CCC2)nc1 ZINC000886641449 1125700926 /nfs/dbraw/zinc/70/09/26/1125700926.db2.gz JYIOEFOWNDKEOP-AEFFLSMTSA-N 0 1 279.387 3.595 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cccnc21)c1cc2cnccc2o1 ZINC000886648029 1125702141 /nfs/dbraw/zinc/70/21/41/1125702141.db2.gz JXYYSWJHCLCOBB-BXUZGUMPSA-N 0 1 279.343 3.561 20 0 CHADMN FC(F)(F)c1ccc(CN[C@H]2CCc3cccnc32)s1 ZINC000886650403 1125703560 /nfs/dbraw/zinc/70/35/60/1125703560.db2.gz WIKIZCGENYGLHF-NSHDSACASA-N 0 1 298.333 3.939 20 0 CHADMN C[C@H](NCc1cc(C2CC2)no1)c1cc2c(s1)CCC2 ZINC000886685022 1125709485 /nfs/dbraw/zinc/70/94/85/1125709485.db2.gz YOSSKFXUWONILY-JTQLQIEISA-N 0 1 288.416 3.953 20 0 CHADMN CCOc1ccccc1CNCc1ccccc1COC ZINC000037500072 1125710824 /nfs/dbraw/zinc/71/08/24/1125710824.db2.gz KUNCZOWRAZNYMS-UHFFFAOYSA-N 0 1 285.387 3.522 20 0 CHADMN COc1ccccc1/C=C\CN(C)Cc1scnc1C ZINC000255036384 1125718812 /nfs/dbraw/zinc/71/88/12/1125718812.db2.gz KMPUSMGDXUKSDY-VURMDHGXSA-N 0 1 288.416 3.605 20 0 CHADMN C[C@H](NCc1ccsc1)c1ccnn1-c1ccccc1 ZINC000343466575 1125720933 /nfs/dbraw/zinc/72/09/33/1125720933.db2.gz CUPLWQQEPKDUNK-ZDUSSCGKSA-N 0 1 283.400 3.785 20 0 CHADMN COc1ccc(CN(C)C/C=C\c2ccccc2)cc1O ZINC000255332519 1125721941 /nfs/dbraw/zinc/72/19/41/1125721941.db2.gz UNSQVJQLVKXIQF-TWGQIWQCSA-N 0 1 283.371 3.546 20 0 CHADMN Cc1cc(C(=O)CN2CCC[C@@]3(CC=CCC3)C2)c(C)[nH]1 ZINC000261484709 1125733164 /nfs/dbraw/zinc/73/31/64/1125733164.db2.gz PLAJXLDLADKBJO-SFHVURJKSA-N 0 1 286.419 3.637 20 0 CHADMN CCSC[C@H](C)N(C)Cc1ncccc1C(F)(F)F ZINC000093739272 1125726435 /nfs/dbraw/zinc/72/64/35/1125726435.db2.gz RESOAQHRCPRDFQ-JTQLQIEISA-N 0 1 292.370 3.674 20 0 CHADMN CCn1ccnc1CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000078759368 1125733248 /nfs/dbraw/zinc/73/32/48/1125733248.db2.gz RIQJVBINQBJNMS-CQSZACIVSA-N 0 1 263.429 3.551 20 0 CHADMN Cc1nsc(C)c1CN[C@@H]1CCc2c1cccc2F ZINC000886928890 1125726689 /nfs/dbraw/zinc/72/66/89/1125726689.db2.gz WJUGEBZQBHRYRE-OAHLLOKOSA-N 0 1 276.380 3.676 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@@H]2CCc3ccccc32)n[nH]1 ZINC000348401290 1125730008 /nfs/dbraw/zinc/73/00/08/1125730008.db2.gz AZDDTKRPJUJCSG-YWPYICTPSA-N 0 1 284.407 3.656 20 0 CHADMN CC(C)(NCc1cnc2ccccc2n1)c1ccccc1 ZINC000385678722 1125730415 /nfs/dbraw/zinc/73/04/15/1125730415.db2.gz ASDQSRMWMXUPJE-UHFFFAOYSA-N 0 1 277.371 3.655 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@@H]2CCc3ccccc32)n[nH]1 ZINC000348401287 1125730669 /nfs/dbraw/zinc/73/06/69/1125730669.db2.gz AZDDTKRPJUJCSG-SLEUVZQESA-N 0 1 284.407 3.656 20 0 CHADMN Cc1oc2ccccc2c1CN(C)Cc1ccco1 ZINC000162159919 1125738675 /nfs/dbraw/zinc/73/86/75/1125738675.db2.gz ULFVPBGOWKBRQU-UHFFFAOYSA-N 0 1 255.317 3.966 20 0 CHADMN Cc1ccccc1O[C@@H](C)CN[C@H](C)c1nccs1 ZINC000091729855 1125751948 /nfs/dbraw/zinc/75/19/48/1125751948.db2.gz HRYGQMDNXUNVTR-QWHCGFSZSA-N 0 1 276.405 3.570 20 0 CHADMN COc1cc(C)cc(CN[C@H](C)c2ccccc2OC)c1 ZINC000090723667 1125744974 /nfs/dbraw/zinc/74/49/74/1125744974.db2.gz TVNAXNHGBDGAKH-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN COc1cc(C)cc(CN[C@@H](C)c2cnn(C(C)C)c2)c1 ZINC000090724134 1125745702 /nfs/dbraw/zinc/74/57/02/1125745702.db2.gz OYAFCLGTLYZBIA-AWEZNQCLSA-N 0 1 287.407 3.632 20 0 CHADMN C[C@H]1OCC[C@@H]1N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000090969089 1125746624 /nfs/dbraw/zinc/74/66/24/1125746624.db2.gz XUBFEQJEBJBHBK-ICCXJUOJSA-N 0 1 291.288 3.586 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2cc(F)ccc21)c1ccccn1 ZINC000090964189 1125746700 /nfs/dbraw/zinc/74/67/00/1125746700.db2.gz HEDULYPHJBXANO-SJKOYZFVSA-N 0 1 270.351 3.949 20 0 CHADMN FC(F)(F)CCN1Cc2ccccc2OC2(CCC2)C1 ZINC000887149898 1125755217 /nfs/dbraw/zinc/75/52/17/1125755217.db2.gz OMYNAIQHTGPISM-UHFFFAOYSA-N 0 1 285.309 3.756 20 0 CHADMN C[C@H](c1ccncc1)N1Cc2ccccc2OC2(CCC2)C1 ZINC000887151064 1125756408 /nfs/dbraw/zinc/75/64/08/1125756408.db2.gz IEVPZXOYCVCMPS-OAHLLOKOSA-N 0 1 294.398 3.960 20 0 CHADMN Cc1ccc(OCCCN[C@@H](C)c2nccs2)cc1 ZINC000093403989 1125768201 /nfs/dbraw/zinc/76/82/01/1125768201.db2.gz XFQMNBUVNDGEDV-ZDUSSCGKSA-N 0 1 276.405 3.571 20 0 CHADMN Cc1cccnc1CN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000093159746 1125766514 /nfs/dbraw/zinc/76/65/14/1125766514.db2.gz NLLICAZVVXJQOK-SFHVURJKSA-N 0 1 296.414 3.571 20 0 CHADMN Cc1cccnc1CN(Cc1cccc(O)c1)CC1CC1 ZINC000093173890 1125766599 /nfs/dbraw/zinc/76/65/99/1125766599.db2.gz SDADVBFNXPBNGA-UHFFFAOYSA-N 0 1 282.387 3.508 20 0 CHADMN Cc1cccnc1CN1CCC[C@H]1c1cccc(F)c1 ZINC000093159604 1125767480 /nfs/dbraw/zinc/76/74/80/1125767480.db2.gz OWWOMGXQGSRFRK-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@@H](NCCOc1ccc(Cl)cc1)c1nccs1 ZINC000093401957 1125768517 /nfs/dbraw/zinc/76/85/17/1125768517.db2.gz PSOCVDQYTGJEGK-SNVBAGLBSA-N 0 1 282.796 3.526 20 0 CHADMN C[C@H](NCCOc1cccc(Cl)c1)c1nccs1 ZINC000093402091 1125768684 /nfs/dbraw/zinc/76/86/84/1125768684.db2.gz UNCCPBUOPIRJAI-JTQLQIEISA-N 0 1 282.796 3.526 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](OCC(F)(F)F)C2)s1 ZINC000536645322 1125768976 /nfs/dbraw/zinc/76/89/76/1125768976.db2.gz JNDSHVJYPJCZCW-LLVKDONJSA-N 0 1 293.354 3.600 20 0 CHADMN Cc1noc(C)c1CCN1CCc2cccc(F)c2[C@H]1C ZINC000533762817 1125780879 /nfs/dbraw/zinc/78/08/79/1125780879.db2.gz ZENYYILETKFWJM-GFCCVEGCSA-N 0 1 288.366 3.592 20 0 CHADMN C[C@@H]1OC2(CCN(Cc3ccc[nH]3)CC2)c2ccccc21 ZINC001204013398 1125782494 /nfs/dbraw/zinc/78/24/94/1125782494.db2.gz PLMMQDCNTWUMTI-AWEZNQCLSA-N 0 1 282.387 3.597 20 0 CHADMN Fc1ccc(C2CCN(Cc3ccc[nH]3)CC2)c(F)c1 ZINC001204013469 1125783397 /nfs/dbraw/zinc/78/33/97/1125783397.db2.gz UBTKXKFNMIIUEN-UHFFFAOYSA-N 0 1 276.330 3.673 20 0 CHADMN CSc1cc(C)cc(CN2CCC(C(C)=O)CC2)c1 ZINC001238686008 1131232892 /nfs/dbraw/zinc/23/28/92/1131232892.db2.gz SNOKPNQHXLIGCQ-UHFFFAOYSA-N 0 1 277.433 3.518 20 0 CHADMN CCN(CC)CC(=O)N(CC(C)C)c1ccc(Cl)cc1 ZINC000622441283 1129259526 /nfs/dbraw/zinc/25/95/26/1129259526.db2.gz XSODSWADHLUZDW-UHFFFAOYSA-N 0 1 296.842 3.671 20 0 CHADMN CCCCCN(CCCCC)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635347497 1129179847 /nfs/dbraw/zinc/17/98/47/1129179847.db2.gz HHEVKMXXJQVOTH-HUUCEWRRSA-N 0 1 291.439 3.722 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CCCCC1 ZINC001238698877 1131234357 /nfs/dbraw/zinc/23/43/57/1131234357.db2.gz QATRKQGEEZKIQE-UHFFFAOYSA-N 0 1 251.345 3.599 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2nccnc2C)c(C)c1 ZINC000621711319 1129183495 /nfs/dbraw/zinc/18/34/95/1129183495.db2.gz NZTLOBDSMHSVRN-OAHLLOKOSA-N 0 1 269.392 3.595 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c1Cl ZINC000645177972 1129490267 /nfs/dbraw/zinc/49/02/67/1129490267.db2.gz ORUMFDUYKCWNLR-SNVBAGLBSA-N 0 1 289.753 3.961 20 0 CHADMN CCOc1ccc(C)c(CN2CCc3cc(O)ccc3C2)c1 ZINC001238712800 1131235581 /nfs/dbraw/zinc/23/55/81/1131235581.db2.gz QNXPGISGCWKCPC-UHFFFAOYSA-N 0 1 297.398 3.658 20 0 CHADMN CC(C)OC[C@H](C)N[C@H](C)c1nc2ccccc2s1 ZINC000800237430 1129858261 /nfs/dbraw/zinc/85/82/61/1129858261.db2.gz FVUQDWZVDQCKDS-NWDGAFQWSA-N 0 1 278.421 3.760 20 0 CHADMN Cc1ccc(-c2ccc(CN(C)C)cn2)c(Cl)c1 ZINC001239861210 1130138211 /nfs/dbraw/zinc/13/82/11/1130138211.db2.gz AJYQLBYFAAZKRN-UHFFFAOYSA-N 0 1 260.768 3.772 20 0 CHADMN CCCCCCc1ccc(CN2CC3(CC(O)C3)C2)s1 ZINC001238715942 1131237121 /nfs/dbraw/zinc/23/71/21/1131237121.db2.gz XCDQILYBSHXECQ-UHFFFAOYSA-N 0 1 293.476 3.828 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1CCCC2(C1)CCCCCC2 ZINC000903598353 1130183787 /nfs/dbraw/zinc/18/37/87/1130183787.db2.gz UXHNKQSWBCTFIK-HUUCEWRRSA-N 0 1 281.440 3.922 20 0 CHADMN c1coc([C@@H](N[C@H]2CO[C@H](C3CC3)C2)c2ccccc2)c1 ZINC000667928020 1126706716 /nfs/dbraw/zinc/70/67/16/1126706716.db2.gz NCHNDLOEXMLALJ-NJAFHUGGSA-N 0 1 283.371 3.526 20 0 CHADMN Clc1cc(CN[C@@H]2CO[C@H](C3CC3)C2)c(Cl)s1 ZINC000667921303 1126704246 /nfs/dbraw/zinc/70/42/46/1126704246.db2.gz AWAQSTISUFBUEU-UWVGGRQHSA-N 0 1 292.231 3.712 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccncc2F)cc1 ZINC000338010905 1126709692 /nfs/dbraw/zinc/70/96/92/1126709692.db2.gz GQEYECCMALKFJZ-VXGBXAGGSA-N 0 1 274.339 3.641 20 0 CHADMN COc1cc2c(cc1F)CC[C@H]2N[C@@H](C)c1cncs1 ZINC000338011058 1126709806 /nfs/dbraw/zinc/70/98/06/1126709806.db2.gz MGJMSTICJNJZIO-TVQRCGJNSA-N 0 1 292.379 3.629 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@@H](C)c1ccncc1F ZINC000338015419 1126710455 /nfs/dbraw/zinc/71/04/55/1126710455.db2.gz SLKVMXRZDPDFKK-STQMWFEESA-N 0 1 258.340 3.941 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@@H](C)c2ccncc2F)s1 ZINC000338021636 1126711687 /nfs/dbraw/zinc/71/16/87/1126711687.db2.gz QVWBCILIRWFLPS-IUCAKERBSA-N 0 1 279.384 3.706 20 0 CHADMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1nccs1 ZINC000135089800 1126712008 /nfs/dbraw/zinc/71/20/08/1126712008.db2.gz UCBQDHVQLJGXAT-YPMHNXCESA-N 0 1 276.380 3.660 20 0 CHADMN CN(CCC1CC1)Cc1cc(-c2cccs2)on1 ZINC000135274817 1126715635 /nfs/dbraw/zinc/71/56/35/1126715635.db2.gz PUNTWPFDVIFCOO-UHFFFAOYSA-N 0 1 262.378 3.635 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2ccc(F)c(F)c2)n1 ZINC000192881879 1126717744 /nfs/dbraw/zinc/71/77/44/1126717744.db2.gz DPHHGPOSYQBTJV-UHFFFAOYSA-N 0 1 283.347 3.673 20 0 CHADMN CC(C)(C)c1nc(SCc2ccc(F)c(F)c2)n[nH]1 ZINC000192881879 1126717749 /nfs/dbraw/zinc/71/77/49/1126717749.db2.gz DPHHGPOSYQBTJV-UHFFFAOYSA-N 0 1 283.347 3.673 20 0 CHADMN Cc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCCN32)c(Cl)c1 ZINC000899919753 1126712721 /nfs/dbraw/zinc/71/27/21/1126712721.db2.gz DTZXGGPKVMYWEZ-DOMZBBRYSA-N 0 1 292.810 3.604 20 0 CHADMN CC(C)(C)OCc1cc(CN[C@H]2CC[C@H]2C2CCC2)no1 ZINC000338030119 1126713262 /nfs/dbraw/zinc/71/32/62/1126713262.db2.gz RAQRDIMCSZUQAW-HOTGVXAUSA-N 0 1 292.423 3.658 20 0 CHADMN C[C@@]1(F)CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000450563269 1126718561 /nfs/dbraw/zinc/71/85/61/1126718561.db2.gz TVWBCFPFYWDQIP-OAHLLOKOSA-N 0 1 262.303 3.702 20 0 CHADMN CCOc1ccc(CN2CCC[C@H](OC(F)F)C2)c(C)c1 ZINC000667962768 1126719979 /nfs/dbraw/zinc/71/99/79/1126719979.db2.gz ZILATNZYGMPVJR-HNNXBMFYSA-N 0 1 299.361 3.597 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000338206584 1126723714 /nfs/dbraw/zinc/72/37/14/1126723714.db2.gz MFTMXYUHPQKMRM-KBPBESRZSA-N 0 1 285.391 3.920 20 0 CHADMN CCCCCC[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000031095283 1126727179 /nfs/dbraw/zinc/72/71/79/1126727179.db2.gz CXNVPVWHGGMOEQ-GFCCVEGCSA-N 0 1 273.380 3.652 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc3ncsc3c2)nc1 ZINC000338281714 1126729997 /nfs/dbraw/zinc/72/99/97/1126729997.db2.gz PFRWVJKXGUADLY-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN COc1cccc(Cl)c1CN1CCCC2(CC2)C1 ZINC000338285567 1126731046 /nfs/dbraw/zinc/73/10/46/1126731046.db2.gz SWCLNIVIUKWCON-UHFFFAOYSA-N 0 1 265.784 3.725 20 0 CHADMN CCOC[C@H](NCc1ncc(-c2cccs2)o1)C(C)C ZINC000348475201 1126732866 /nfs/dbraw/zinc/73/28/66/1126732866.db2.gz CTTXNWMHQNYHCS-LBPRGKRZSA-N 0 1 294.420 3.554 20 0 CHADMN COc1cccc(Cl)c1CN(C)CC1CCC1 ZINC000338313475 1126733382 /nfs/dbraw/zinc/73/33/82/1126733382.db2.gz JPJPQIKJWYEMTK-UHFFFAOYSA-N 0 1 253.773 3.581 20 0 CHADMN CC(C)c1nnc(CN2CCCC[C@@H]2Cc2ccccc2)o1 ZINC000066155924 1126733760 /nfs/dbraw/zinc/73/37/60/1126733760.db2.gz WQUONCRREGMXOF-MRXNPFEDSA-N 0 1 299.418 3.790 20 0 CHADMN CC(C)n1ccnc1CN(C)[C@H](C)C1CCCCC1 ZINC000338337765 1126735074 /nfs/dbraw/zinc/73/50/74/1126735074.db2.gz BUMHOCCGVUTQBC-CQSZACIVSA-N 0 1 263.429 3.865 20 0 CHADMN C[C@H](C1CCCCC1)N(C)Cc1ncc(C2CC2)o1 ZINC000338345879 1126736058 /nfs/dbraw/zinc/73/60/58/1126736058.db2.gz SNRUSDZPBXOHKZ-GFCCVEGCSA-N 0 1 262.397 3.953 20 0 CHADMN Cc1cccc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)n1 ZINC000338350858 1126737366 /nfs/dbraw/zinc/73/73/66/1126737366.db2.gz KIEBDDQNWPRUAJ-CQSZACIVSA-N 0 1 298.352 3.945 20 0 CHADMN CCO[C@@H](C)c1noc(CN(C)[C@@H](C)C2CCCCC2)n1 ZINC000338361539 1126737962 /nfs/dbraw/zinc/73/79/62/1126737962.db2.gz UVQYJBXNPCHNAK-STQMWFEESA-N 0 1 295.427 3.568 20 0 CHADMN Fc1cccc(Cl)c1CCN1CC[C@H](C(F)F)C1 ZINC000677731837 1130326280 /nfs/dbraw/zinc/32/62/80/1130326280.db2.gz OQVJFECZTWJLMV-VIFPVBQESA-N 0 1 277.717 3.609 20 0 CHADMN C[C@H](NCc1cccnc1)c1ccc(F)cc1OC(F)F ZINC000151101765 1126750672 /nfs/dbraw/zinc/75/06/72/1126750672.db2.gz WYHQMESEGXUAJR-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN CCC[C@H](C)[C@@H](CC)Nc1cnn(-c2ccncc2)c1 ZINC000679128576 1126753149 /nfs/dbraw/zinc/75/31/49/1126753149.db2.gz WMAOCORQXWQGHN-XJKSGUPXSA-N 0 1 272.396 3.894 20 0 CHADMN CC1=C(C)CN(Cc2ccccc2OC(F)F)CC1 ZINC000482463432 1126758120 /nfs/dbraw/zinc/75/81/20/1126758120.db2.gz ZLNXWMFOIUXLAO-UHFFFAOYSA-N 0 1 267.319 3.830 20 0 CHADMN CCOc1ccc(CN2CCC(C)=C(C)C2)cc1F ZINC000482462789 1126758674 /nfs/dbraw/zinc/75/86/74/1126758674.db2.gz XMIHACUXXUVXQM-UHFFFAOYSA-N 0 1 263.356 3.767 20 0 CHADMN C=Cn1cc(CN[C@@H](C)c2cc3ccccc3o2)cn1 ZINC000194347402 1126759273 /nfs/dbraw/zinc/75/92/73/1126759273.db2.gz KQZUWWFGIVFVOU-LBPRGKRZSA-N 0 1 267.332 3.581 20 0 CHADMN C[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000429565274 1126761044 /nfs/dbraw/zinc/76/10/44/1126761044.db2.gz RINBJGLTXILMCG-PWSUYJOCSA-N 0 1 298.789 3.538 20 0 CHADMN Cc1cc2[nH]c(CN3CCOCC4(CCC4)C3)cc2c(C)c1 ZINC000482501225 1126762150 /nfs/dbraw/zinc/76/21/50/1126762150.db2.gz IVHREIANBCPTPW-UHFFFAOYSA-N 0 1 298.430 3.787 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2nnc(-c3ccccc3)s2)C1 ZINC000429565087 1126762294 /nfs/dbraw/zinc/76/22/94/1126762294.db2.gz GWSQXOXMFIQPIV-JSGCOSHPSA-N 0 1 287.432 3.826 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCn2cccc2[C@H]1C ZINC000659822238 1126764545 /nfs/dbraw/zinc/76/45/45/1126764545.db2.gz MBIUWYSBAPYZFY-NEPJUHHUSA-N 0 1 256.340 3.546 20 0 CHADMN c1ncc(CN2CCC(C3CCCC3)CC2)s1 ZINC000678283094 1130390153 /nfs/dbraw/zinc/39/01/53/1130390153.db2.gz YZWGXQFBYUVPPP-UHFFFAOYSA-N 0 1 250.411 3.545 20 0 CHADMN CC[C@@H]1CCCN(CC(=O)Nc2sc(C)c(C)c2C)C1 ZINC000483049262 1126765321 /nfs/dbraw/zinc/76/53/21/1126765321.db2.gz ZQFZXFOVSCSTMO-CQSZACIVSA-N 0 1 294.464 3.734 20 0 CHADMN C[C@@H](N[C@H]1CO[C@@H](C2CC2)C1)c1ccc(F)cc1Cl ZINC000668199329 1126766334 /nfs/dbraw/zinc/76/63/34/1126766334.db2.gz QJZBPBSOFTVFOV-DDHOLCJHSA-N 0 1 283.774 3.697 20 0 CHADMN C[C@@H](NCc1ccccc1OCC1CC1)c1ccncc1 ZINC000174120031 1126766488 /nfs/dbraw/zinc/76/64/88/1126766488.db2.gz VUYKBGLVIHMFRE-CQSZACIVSA-N 0 1 282.387 3.721 20 0 CHADMN CCN(Cc1nc(Cc2ccccc2C)no1)CC1CCC1 ZINC000483128728 1126769048 /nfs/dbraw/zinc/76/90/48/1126769048.db2.gz QEOAMLHLKOKNER-UHFFFAOYSA-N 0 1 299.418 3.591 20 0 CHADMN CCc1noc(CN[C@H](CCC(C)C)C(C)(C)C)n1 ZINC000678899469 1130468932 /nfs/dbraw/zinc/46/89/32/1130468932.db2.gz QOZGTHXLUTUHCK-GFCCVEGCSA-N 0 1 267.417 3.573 20 0 CHADMN Oc1cccc([C@@H]2C[N@@H+](CCC3CCCCC3)CCO2)c1 ZINC000483264591 1126776419 /nfs/dbraw/zinc/77/64/19/1126776419.db2.gz FVOPIBPBRDXJPC-SFHVURJKSA-N 0 1 289.419 3.736 20 0 CHADMN Oc1cccc([C@@H]2CN(CCC3CCCCC3)CCO2)c1 ZINC000483264591 1126776421 /nfs/dbraw/zinc/77/64/21/1126776421.db2.gz FVOPIBPBRDXJPC-SFHVURJKSA-N 0 1 289.419 3.736 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001170276006 1130472510 /nfs/dbraw/zinc/47/25/10/1130472510.db2.gz LIKAWOTUSUJDIH-NHULGOKLSA-N 0 1 267.775 3.561 20 0 CHADMN Cc1cccc(NC(=O)[C@H](C)N2CCC(C)=C(C)C2)c1C ZINC000483366935 1126783394 /nfs/dbraw/zinc/78/33/94/1126783394.db2.gz ORIBSGVWQUDFJJ-INIZCTEOSA-N 0 1 286.419 3.673 20 0 CHADMN COc1ccc(OCCCN2Cc3ccc(C)cc3C2)cc1 ZINC000483340305 1126783759 /nfs/dbraw/zinc/78/37/59/1126783759.db2.gz QXYCHKVLQCMONJ-UHFFFAOYSA-N 0 1 297.398 3.788 20 0 CHADMN Cc1ccncc1CN[C@H]1CCSc2c(F)cccc21 ZINC000162639349 1126784821 /nfs/dbraw/zinc/78/48/21/1126784821.db2.gz JLKOVVHCWJIIAM-HNNXBMFYSA-N 0 1 288.391 3.856 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1nccn1C ZINC000175430816 1126782374 /nfs/dbraw/zinc/78/23/74/1126782374.db2.gz NZABJQMPIBVQAX-QWHCGFSZSA-N 0 1 291.826 3.698 20 0 CHADMN CN(Cc1ccsc1Cl)CC1(O)CCCCCC1 ZINC000483341084 1126782961 /nfs/dbraw/zinc/78/29/61/1126782961.db2.gz MFWWVWQGEBFJSN-UHFFFAOYSA-N 0 1 287.856 3.919 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2NCc1cnc(-c2ccccc2)[nH]1 ZINC000175978198 1126787825 /nfs/dbraw/zinc/78/78/25/1126787825.db2.gz YZODKOLLYCOPRY-INIZCTEOSA-N 0 1 293.370 3.837 20 0 CHADMN CCc1nocc1CN1CCC[C@H]1c1ccsc1 ZINC000659838023 1126788136 /nfs/dbraw/zinc/78/81/36/1126788136.db2.gz DVSZNCLUDZMXHQ-AWEZNQCLSA-N 0 1 262.378 3.636 20 0 CHADMN CCOC(=O)[C@@H]1CCCN([C@H](C)c2cccc(Cl)c2)C1 ZINC000483480073 1126788678 /nfs/dbraw/zinc/78/86/78/1126788678.db2.gz NPEFMTPPHAMDBD-TZMCWYRMSA-N 0 1 295.810 3.676 20 0 CHADMN CC[C@H](C)Oc1cc(C)ccc1CNCc1cc[nH]c1 ZINC000176282380 1126789310 /nfs/dbraw/zinc/78/93/10/1126789310.db2.gz IBPFQEZSUDHQBS-AWEZNQCLSA-N 0 1 272.392 3.790 20 0 CHADMN CCC[C@@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000177044325 1126797047 /nfs/dbraw/zinc/79/70/47/1126797047.db2.gz PVOFJWVQZGEOLT-CQSZACIVSA-N 0 1 285.391 3.749 20 0 CHADMN CO[C@@H]1CCCC[C@H]1NCc1csc(CCC(C)C)n1 ZINC000483722561 1126798145 /nfs/dbraw/zinc/79/81/45/1126798145.db2.gz HVGATYJHEIWDQY-HUUCEWRRSA-N 0 1 296.480 3.779 20 0 CHADMN CC(C)c1ccc(C[C@@H]2CCN(Cc3ncccn3)C2)cc1 ZINC000483719307 1126798648 /nfs/dbraw/zinc/79/86/48/1126798648.db2.gz BZLMUQGYNKWHLI-KRWDZBQOSA-N 0 1 295.430 3.665 20 0 CHADMN CC(C)(C)NC(=S)Nc1cc(Cl)cc(Cl)c1O ZINC000168699432 1126801740 /nfs/dbraw/zinc/80/17/40/1126801740.db2.gz UVYNVARVVOFPLV-UHFFFAOYSA-N 0 1 293.219 3.784 20 0 CHADMN CC[C@@H]1COC(C)(C)CN1Cc1cc2ccncc2s1 ZINC000668283859 1126804933 /nfs/dbraw/zinc/80/49/33/1126804933.db2.gz ZADQJQJJFFJUTM-CYBMUJFWSA-N 0 1 290.432 3.686 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1cn2c(cccc2C)n1 ZINC000178060309 1126809010 /nfs/dbraw/zinc/80/90/10/1126809010.db2.gz PVYBYNTYFVRJQV-OAHLLOKOSA-N 0 1 279.387 3.802 20 0 CHADMN Cc1cccc(CN2C[C@H](C(F)(F)F)CC[C@@H]2C)n1 ZINC000679543859 1130537003 /nfs/dbraw/zinc/53/70/03/1130537003.db2.gz FQAJTNSVPGKDOB-NWDGAFQWSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1ccncc1CN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679545911 1130539037 /nfs/dbraw/zinc/53/90/37/1130539037.db2.gz MSXPEJPSFQACFQ-DGCLKSJQSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1ncccc1CN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679583821 1130544332 /nfs/dbraw/zinc/54/43/32/1130544332.db2.gz JRROQGIBDKBEDB-ZWNOBZJWSA-N 0 1 272.314 3.553 20 0 CHADMN FC(F)(F)Oc1ccc2c(c1)[C@H](NCc1ccoc1)CC2 ZINC000178476994 1126814223 /nfs/dbraw/zinc/81/42/23/1126814223.db2.gz HKGMHFHVKIAAFH-CQSZACIVSA-N 0 1 297.276 3.955 20 0 CHADMN Cc1cc(C)c2c(c1)[C@H](NCc1ccoc1)CCCO2 ZINC000178476388 1126814499 /nfs/dbraw/zinc/81/44/99/1126814499.db2.gz JMSLSUUPTQLUAW-MRXNPFEDSA-N 0 1 271.360 3.900 20 0 CHADMN CN(Cc1nc(-c2c[nH]c3ccccc23)no1)CC(C)(C)C ZINC000904051447 1126824808 /nfs/dbraw/zinc/82/48/08/1126824808.db2.gz TVIQYRXTMDLDTA-UHFFFAOYSA-N 0 1 298.390 3.696 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1cnn2ccccc12 ZINC000179409333 1126826591 /nfs/dbraw/zinc/82/65/91/1126826591.db2.gz IEHGIYWUEFNLAU-GFCCVEGCSA-N 0 1 271.389 3.589 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000904079434 1126826849 /nfs/dbraw/zinc/82/68/49/1126826849.db2.gz HHIRRTJVLVHUAG-LBPRGKRZSA-N 0 1 279.771 3.697 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccccn1 ZINC000179467679 1126828021 /nfs/dbraw/zinc/82/80/21/1126828021.db2.gz WQEZAEIHPOMVDD-JLSDUUJJSA-N 0 1 282.387 3.653 20 0 CHADMN CC(=O)Nc1ccccc1CN(C)Cc1ccc(C)cc1 ZINC000179602454 1126830648 /nfs/dbraw/zinc/83/06/48/1126830648.db2.gz IOCGTOMQYHGTKB-UHFFFAOYSA-N 0 1 282.387 3.585 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2ccccn2)cc1Cl ZINC000179635340 1126832016 /nfs/dbraw/zinc/83/20/16/1126832016.db2.gz UGKLLXDHXFORAI-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN CC(C)n1cc(CN(Cc2ccccc2)C2CC2)cn1 ZINC000179925284 1126836911 /nfs/dbraw/zinc/83/69/11/1126836911.db2.gz CTPZFXBPRZEXCQ-UHFFFAOYSA-N 0 1 269.392 3.629 20 0 CHADMN CCc1ccc(C(C)(C)NCc2c(C)noc2C)cc1 ZINC000180100668 1126839965 /nfs/dbraw/zinc/83/99/65/1126839965.db2.gz ZMKWWIFOIGQDGM-UHFFFAOYSA-N 0 1 272.392 3.879 20 0 CHADMN C[C@H](CN(C)Cc1cccc(Cl)c1)C(F)(F)F ZINC000441149017 1130635414 /nfs/dbraw/zinc/63/54/14/1130635414.db2.gz PCDVBDHDUDVBBY-SECBINFHSA-N 0 1 265.706 3.970 20 0 CHADMN CO[C@H](CN[C@H](c1ccccc1)c1ccccn1)C(C)(C)C ZINC000180690837 1126847126 /nfs/dbraw/zinc/84/71/26/1126847126.db2.gz DHAGCZSKHYDIDB-QZTJIDSGSA-N 0 1 298.430 3.822 20 0 CHADMN CO[C@@H]1CCN(c2cc(C)nc3c(C)cc(Cl)cc23)C1 ZINC000484807727 1126848754 /nfs/dbraw/zinc/84/87/54/1126848754.db2.gz BMVMJVSWHFWEQP-CYBMUJFWSA-N 0 1 290.794 3.730 20 0 CHADMN C[C@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(F)cn1 ZINC000484805498 1126848765 /nfs/dbraw/zinc/84/87/65/1126848765.db2.gz AICIBXIFRRDTRY-GTNSWQLSSA-N 0 1 288.341 3.773 20 0 CHADMN COC[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000180845263 1126849395 /nfs/dbraw/zinc/84/93/95/1126849395.db2.gz CSJCUTDRIAAFEC-QZTJIDSGSA-N 0 1 285.362 3.790 20 0 CHADMN Cc1ccc(-c2cc(-c3nc(CC(C)C)no3)[nH]n2)cc1C ZINC000904413332 1126851847 /nfs/dbraw/zinc/85/18/47/1126851847.db2.gz QSIWMANVPJSPMS-UHFFFAOYSA-N 0 1 296.374 3.942 20 0 CHADMN COC(=O)c1oc([C@@H](C)N[C@H](C)c2ccccc2)cc1C ZINC000181349465 1126855097 /nfs/dbraw/zinc/85/50/97/1126855097.db2.gz FIJAIKRORUWGPO-CHWSQXEVSA-N 0 1 287.359 3.786 20 0 CHADMN C[C@H](NCc1nc(-c2ccco2)no1)[C@@H](C)c1ccccc1 ZINC000181537041 1126857746 /nfs/dbraw/zinc/85/77/46/1126857746.db2.gz HSFDAAZZDFWGMO-OLZOCXBDSA-N 0 1 297.358 3.611 20 0 CHADMN C[C@H](NCc1cocn1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000182076339 1126865841 /nfs/dbraw/zinc/86/58/41/1126865841.db2.gz MMAISKDBPJIOGS-MNOVXSKESA-N 0 1 298.308 3.975 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(Cl)cn2)cc1 ZINC000182113648 1126866568 /nfs/dbraw/zinc/86/65/68/1126866568.db2.gz IZVMZILALQOKQD-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccc(Cl)cn1)CC2 ZINC000182123674 1126866881 /nfs/dbraw/zinc/86/68/81/1126866881.db2.gz BBHYIYOQRZOCNH-MRXNPFEDSA-N 0 1 272.779 3.821 20 0 CHADMN CC(C)n1cc([C@H](C)NC2(c3cccc(F)c3)CC2)cn1 ZINC000182220096 1126868257 /nfs/dbraw/zinc/86/82/57/1126868257.db2.gz MARLLTRUEJTMMH-ZDUSSCGKSA-N 0 1 287.382 3.943 20 0 CHADMN C[C@H](NC1(c2cccc(F)c2)CC1)c1cncc(F)c1 ZINC000182216790 1126868490 /nfs/dbraw/zinc/86/84/90/1126868490.db2.gz FZJDLDOCXXRQPJ-NSHDSACASA-N 0 1 274.314 3.700 20 0 CHADMN CCc1cccnc1-c1ccc(CN(C)C)c(F)c1 ZINC000904760495 1126870517 /nfs/dbraw/zinc/87/05/17/1126870517.db2.gz NKUYIAVRDWAPGK-UHFFFAOYSA-N 0 1 258.340 3.512 20 0 CHADMN CC[C@@H](NCc1ccc(C(C)(C)C)cc1)c1nccn1C ZINC000182680972 1126875677 /nfs/dbraw/zinc/87/56/77/1126875677.db2.gz CZDIZJBIHSBJQD-MRXNPFEDSA-N 0 1 285.435 3.959 20 0 CHADMN CN(C)Cc1ccc(-c2cccc([S@@](C)(=N)=O)c2)s1 ZINC000904865457 1126880988 /nfs/dbraw/zinc/88/09/88/1126880988.db2.gz XXQXKUYXPIQFSY-IBGZPJMESA-N 0 1 294.445 3.512 20 0 CHADMN Cc1ccc(CN(C)[C@@H](C)c2cccnc2)cc1F ZINC000183717950 1126891088 /nfs/dbraw/zinc/89/10/88/1126891088.db2.gz WADIUPRZMWEXMV-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN CC(C)c1ccccc1NC(=O)c1cn[nH]c1C1CC1 ZINC000184225951 1126895591 /nfs/dbraw/zinc/89/55/91/1126895591.db2.gz FPGSMLWHHVENKZ-UHFFFAOYSA-N 0 1 269.348 3.663 20 0 CHADMN CC[C@@H](C(=O)OCc1ccccc1SC)N(CC)CC ZINC000781243819 1130711667 /nfs/dbraw/zinc/71/16/67/1130711667.db2.gz MEBKRALIACXZHV-AWEZNQCLSA-N 0 1 295.448 3.572 20 0 CHADMN C[N@@H+](CCCC(C)(C)C)[C@H](C(=O)[O-])c1ccccc1 ZINC000905369356 1126899103 /nfs/dbraw/zinc/89/91/03/1126899103.db2.gz MBZZSRDZKAYUJP-AWEZNQCLSA-N 0 1 263.381 3.570 20 0 CHADMN C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000905375819 1126899366 /nfs/dbraw/zinc/89/93/66/1126899366.db2.gz ZAUFXAATICFXIB-BZSNNMDCSA-N 0 1 295.382 3.548 20 0 CHADMN C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905375821 1126899734 /nfs/dbraw/zinc/89/97/34/1126899734.db2.gz ZAUFXAATICFXIB-OKZBNKHCSA-N 0 1 295.382 3.548 20 0 CHADMN COCC1=CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000185811370 1126902995 /nfs/dbraw/zinc/90/29/95/1126902995.db2.gz UAKCIJFVMQFSSM-GFCCVEGCSA-N 0 1 265.784 3.680 20 0 CHADMN c1coc(C2CCN(Cc3n[nH]c4ccccc43)CC2)c1 ZINC000668462336 1126903835 /nfs/dbraw/zinc/90/38/35/1126903835.db2.gz MZXLXCPMSKVYTM-UHFFFAOYSA-N 0 1 281.359 3.536 20 0 CHADMN CC(C)c1ccc(CN(C)CC2CC2)c(Cl)n1 ZINC001238723832 1131238332 /nfs/dbraw/zinc/23/83/32/1131238332.db2.gz HHIKBMZBLOVXJD-UHFFFAOYSA-N 0 1 252.789 3.700 20 0 CHADMN Cn1ncc(C2CCC2)c1CN1CCC(c2ccco2)CC1 ZINC000668462511 1126905390 /nfs/dbraw/zinc/90/53/90/1126905390.db2.gz HKLYNNVQGUVKPX-UHFFFAOYSA-N 0 1 299.418 3.660 20 0 CHADMN Cc1nc(SC[C@@H]2CCOC2)[nH]c1-c1ccccc1 ZINC000187116149 1126908307 /nfs/dbraw/zinc/90/83/07/1126908307.db2.gz HZIKLPZMEVXKOP-GFCCVEGCSA-N 0 1 274.389 3.514 20 0 CHADMN CC[C@@]1(CO)CCCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000187544469 1126911848 /nfs/dbraw/zinc/91/18/48/1126911848.db2.gz TZVHCJOVPRLPCP-BLLLJJGKSA-N 0 1 283.362 3.510 20 0 CHADMN Cc1ccc(CNCc2nc3cc(C)ccc3n2C)s1 ZINC000187590330 1126912259 /nfs/dbraw/zinc/91/22/59/1126912259.db2.gz UXYSDDWWFKLVME-UHFFFAOYSA-N 0 1 285.416 3.541 20 0 CHADMN CC(C)CCCN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187725619 1126913676 /nfs/dbraw/zinc/91/36/76/1126913676.db2.gz SYNVQPCAKHSWJI-HNNXBMFYSA-N 0 1 275.371 3.664 20 0 CHADMN CCN(Cc1nccn1C(C)C)[C@@H](C)Cc1ccsc1 ZINC000187786038 1126914724 /nfs/dbraw/zinc/91/47/24/1126914724.db2.gz DGAGDJOVOXUCTP-AWEZNQCLSA-N 0 1 291.464 3.979 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000187885465 1126916614 /nfs/dbraw/zinc/91/66/14/1126916614.db2.gz RDIPCYGNCLTADR-XHDPSFHLSA-N 0 1 287.794 3.777 20 0 CHADMN CCc1ccccc1CSc1nc(C2CC2)n[nH]1 ZINC000187982901 1126917746 /nfs/dbraw/zinc/91/77/46/1126917746.db2.gz UYVGCMBQBUWWJM-UHFFFAOYSA-N 0 1 259.378 3.537 20 0 CHADMN CCc1ccccc1CSc1n[nH]c(C2CC2)n1 ZINC000187982901 1126917749 /nfs/dbraw/zinc/91/77/49/1126917749.db2.gz UYVGCMBQBUWWJM-UHFFFAOYSA-N 0 1 259.378 3.537 20 0 CHADMN O=c1cc(C2CC2)[nH]n1Cc1ccc(C(F)(F)F)cc1 ZINC001245911553 1131238803 /nfs/dbraw/zinc/23/88/03/1131238803.db2.gz UTGZRKBGAYLCMW-UHFFFAOYSA-N 0 1 282.265 3.533 20 0 CHADMN c1coc(CN(CC[C@@H]2CCCO2)Cc2cccs2)c1 ZINC000188584174 1126924718 /nfs/dbraw/zinc/92/47/18/1126924718.db2.gz ZIEDLFTYXYHPRJ-AWEZNQCLSA-N 0 1 291.416 3.912 20 0 CHADMN CCc1nc[nH]c1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000905891737 1126920198 /nfs/dbraw/zinc/92/01/98/1126920198.db2.gz PKZCLIJATRSZMJ-UHFFFAOYSA-N 0 1 299.374 3.546 20 0 CHADMN Cc1cncc(CN2CCSC[C@@H]2c2ccccc2)c1 ZINC000189891655 1126936459 /nfs/dbraw/zinc/93/64/59/1126936459.db2.gz LVJGCGMJCRSKHU-QGZVFWFLSA-N 0 1 284.428 3.680 20 0 CHADMN Fc1cc(-c2cnc([C@@H]3CCCCN3)nc2)ccc1Cl ZINC000906191880 1126936519 /nfs/dbraw/zinc/93/65/19/1126936519.db2.gz ALJRXXGRKDQUQE-AWEZNQCLSA-N 0 1 291.757 3.751 20 0 CHADMN CCSc1cc(CNCc2ccc(F)c(F)c2)ccn1 ZINC000189585176 1126932775 /nfs/dbraw/zinc/93/27/75/1126932775.db2.gz PKNCZBVMUSVSIY-UHFFFAOYSA-N 0 1 294.370 3.762 20 0 CHADMN c1cc2cccc(-c3cnc([C@H]4CCCCN4)nc3)c2o1 ZINC000906167206 1126933101 /nfs/dbraw/zinc/93/31/01/1126933101.db2.gz RJGOBJQSKMPEMO-OAHLLOKOSA-N 0 1 279.343 3.704 20 0 CHADMN CCSc1cc(CNCc2ccc(F)c(C)c2)ccn1 ZINC000189582025 1126933333 /nfs/dbraw/zinc/93/33/33/1126933333.db2.gz XEZXRZMHBLIQGV-UHFFFAOYSA-N 0 1 290.407 3.931 20 0 CHADMN COc1cccc([C@H]2CCC[N@H+]2Cc2cncc(C)c2)c1 ZINC000189751697 1126933578 /nfs/dbraw/zinc/93/35/78/1126933578.db2.gz XDBUCTNPZZBCCY-GOSISDBHSA-N 0 1 282.387 3.736 20 0 CHADMN CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ncccc1C ZINC000189721070 1126934144 /nfs/dbraw/zinc/93/41/44/1126934144.db2.gz YRPCBAPCCIAKBG-IBGZPJMESA-N 0 1 298.430 3.553 20 0 CHADMN c1cc2ccc(-c3cnc([C@@H]4CCCCN4)nc3)cc2o1 ZINC000906178562 1126934609 /nfs/dbraw/zinc/93/46/09/1126934609.db2.gz PQUQZUOTZVFAOY-HNNXBMFYSA-N 0 1 279.343 3.704 20 0 CHADMN Cc1ccc(-c2cnc([C@@H]3CCCCN3)nc2)c(Cl)c1 ZINC000906208283 1126938211 /nfs/dbraw/zinc/93/82/11/1126938211.db2.gz PRTXBHFCXHQEIF-HNNXBMFYSA-N 0 1 287.794 3.920 20 0 CHADMN C[C@H]1CSCCN(Cc2csc(-c3ccoc3)n2)C1 ZINC000190392536 1126941220 /nfs/dbraw/zinc/94/12/20/1126941220.db2.gz DKISGHMDMIBBAT-LLVKDONJSA-N 0 1 294.445 3.588 20 0 CHADMN c1c2ccccc2sc1CN1CCO[C@@H](C2CC2)C1 ZINC000485730823 1126947874 /nfs/dbraw/zinc/94/78/74/1126947874.db2.gz HNKLEMJZYPDWBZ-OAHLLOKOSA-N 0 1 273.401 3.512 20 0 CHADMN C[C@H](NC[C@@H]1CC[C@@H](C)O1)c1ncc(-c2ccccc2)o1 ZINC000191100917 1126948098 /nfs/dbraw/zinc/94/80/98/1126948098.db2.gz ZWAREVDEJPTZHN-IPYPFGDCSA-N 0 1 286.375 3.560 20 0 CHADMN c1nc(CNCC2(Sc3ccccc3)CCCC2)co1 ZINC000192310876 1126959802 /nfs/dbraw/zinc/95/98/02/1126959802.db2.gz FDJLDRMIEUYLQG-UHFFFAOYSA-N 0 1 288.416 3.869 20 0 CHADMN Clc1ccc(C2(CNCc3cocn3)CCC2)cc1 ZINC000192304527 1126960387 /nfs/dbraw/zinc/96/03/87/1126960387.db2.gz CVDOBZZNIQUKBZ-UHFFFAOYSA-N 0 1 276.767 3.540 20 0 CHADMN C[C@H](N[C@H]1CCCc2c(O)cccc21)c1ccccn1 ZINC000192354646 1126960914 /nfs/dbraw/zinc/96/09/14/1126960914.db2.gz HPSIWIUJCPNWFM-LRDDRELGSA-N 0 1 268.360 3.515 20 0 CHADMN CC(C)c1nnc(-c2ccccc2NC(=O)C[C@@H]2C[C@H]2C)[nH]1 ZINC000485886816 1126961138 /nfs/dbraw/zinc/96/11/38/1126961138.db2.gz DNLNQZKMJJWGKM-NEPJUHHUSA-N 0 1 298.390 3.580 20 0 CHADMN COC[C@@H](NCc1ccccc1)c1ccc(Cl)cc1 ZINC000193280895 1126967393 /nfs/dbraw/zinc/96/73/93/1126967393.db2.gz MBQKUZHNOQQOFN-MRXNPFEDSA-N 0 1 275.779 3.817 20 0 CHADMN c1cc2c(o1)CCC[C@H]2NCc1ccc(OCC2CC2)nc1 ZINC000192790691 1126964093 /nfs/dbraw/zinc/96/40/93/1126964093.db2.gz OKICRCLQSHBGRN-MRXNPFEDSA-N 0 1 298.386 3.631 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc(C(F)F)cn2)c1F ZINC001235995170 1130824662 /nfs/dbraw/zinc/82/46/62/1130824662.db2.gz AHRBUCMBKIGRCC-UHFFFAOYSA-N 0 1 275.176 3.809 20 0 CHADMN CCc1nc[nH]c1C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000906997867 1126970800 /nfs/dbraw/zinc/97/08/00/1126970800.db2.gz MMAUIQGDHJSQJD-UHFFFAOYSA-N 0 1 297.280 3.552 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1c(C)noc1C ZINC000194865408 1126976746 /nfs/dbraw/zinc/97/67/46/1126976746.db2.gz ZGMJIRVDDREHMY-SNVBAGLBSA-N 0 1 276.405 3.864 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1cccnc1 ZINC000194830895 1126976851 /nfs/dbraw/zinc/97/68/51/1126976851.db2.gz PRJKWHZILHTJFH-LBPRGKRZSA-N 0 1 258.390 3.654 20 0 CHADMN Cc1csc(CN2CCC[C@H]2c2ccccc2)n1 ZINC000266893154 1126989843 /nfs/dbraw/zinc/98/98/43/1126989843.db2.gz TWRBFKAFPUULJF-AWEZNQCLSA-N 0 1 258.390 3.789 20 0 CHADMN Clc1ccc(CN2CCC([C@H]3CCCCO3)CC2)o1 ZINC000668629034 1126986117 /nfs/dbraw/zinc/98/61/17/1126986117.db2.gz MQDDUPDLIWPBER-CQSZACIVSA-N 0 1 283.799 3.714 20 0 CHADMN Cc1cc(CNCc2ccn(C)c2)c(OC(F)F)cc1C ZINC000267114520 1126993679 /nfs/dbraw/zinc/99/36/79/1126993679.db2.gz SABXTCYZOLCDHJ-UHFFFAOYSA-N 0 1 294.345 3.533 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1Cl ZINC000267231317 1126995712 /nfs/dbraw/zinc/99/57/12/1126995712.db2.gz LBQIKTFXHOLFHG-MZPVMMEZSA-N 0 1 287.790 3.649 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC000486781173 1127001307 /nfs/dbraw/zinc/00/13/07/1127001307.db2.gz RJKASZLHYQMXPP-ZBFHGGJFSA-N 0 1 263.429 3.865 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1Cc1nc(C(C)C)no1 ZINC000486776246 1127001746 /nfs/dbraw/zinc/00/17/46/1127001746.db2.gz PNBCMHMGVCAYGS-CYBMUJFWSA-N 0 1 265.401 3.738 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1nc(C(C)C)no1 ZINC000486776246 1127001749 /nfs/dbraw/zinc/00/17/49/1127001749.db2.gz PNBCMHMGVCAYGS-CYBMUJFWSA-N 0 1 265.401 3.738 20 0 CHADMN CCc1ncc(CNCc2coc3ccccc23)s1 ZINC000267605672 1127003389 /nfs/dbraw/zinc/00/33/89/1127003389.db2.gz GGFSVLHRKMSFIP-UHFFFAOYSA-N 0 1 272.373 3.742 20 0 CHADMN Clc1ncccc1CN1CCS[C@@H]2CCCC[C@H]21 ZINC000267741890 1127005844 /nfs/dbraw/zinc/00/58/44/1127005844.db2.gz OIQQEAUWWKAUCC-CHWSQXEVSA-N 0 1 282.840 3.595 20 0 CHADMN CCC1(CC)CCN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000268034327 1127010524 /nfs/dbraw/zinc/01/05/24/1127010524.db2.gz NEURPORILDFIQA-ZDUSSCGKSA-N 0 1 299.418 3.909 20 0 CHADMN CCc1noc(C)c1CN(C)[C@H]1CCc2ccccc21 ZINC000268137557 1127012625 /nfs/dbraw/zinc/01/26/25/1127012625.db2.gz JNTTVBNYRHMGSB-KRWDZBQOSA-N 0 1 270.376 3.665 20 0 CHADMN OCCCN[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000268171081 1127013681 /nfs/dbraw/zinc/01/36/81/1127013681.db2.gz QGPRDNQMQWBKFO-MRXNPFEDSA-N 0 1 293.769 3.541 20 0 CHADMN CCOc1c(Cl)cccc1CNCc1ccc(O)cc1 ZINC000486973486 1127014048 /nfs/dbraw/zinc/01/40/48/1127014048.db2.gz UGIBIWMXAZIYPE-UHFFFAOYSA-N 0 1 291.778 3.734 20 0 CHADMN Cc1nc(CN(C)[C@@H](C)c2ccc(Cl)cc2Cl)n[nH]1 ZINC000268274981 1127015298 /nfs/dbraw/zinc/01/52/98/1127015298.db2.gz IBXNETZECWWSEI-QMMMGPOBSA-N 0 1 299.205 3.613 20 0 CHADMN Cc1cc(=O)[nH]c([C@@H](C)N[C@H](c2ccccc2)C(C)C)n1 ZINC000268369746 1127016526 /nfs/dbraw/zinc/01/65/26/1127016526.db2.gz HMOMOCYSULSXEI-CJNGLKHVSA-N 0 1 285.391 3.539 20 0 CHADMN CC1(C)Cc2occc2[C@H](N[C@@H]2c3ccccc3C[C@@H]2O)C1 ZINC000268806473 1127024857 /nfs/dbraw/zinc/02/48/57/1127024857.db2.gz CQEPZFYKDQJFPN-SOLBZPMBSA-N 0 1 297.398 3.541 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1ccccn1 ZINC000268718502 1127021766 /nfs/dbraw/zinc/02/17/66/1127021766.db2.gz NOUDQUNHYBSJMB-SUMWQHHRSA-N 0 1 252.361 3.728 20 0 CHADMN Cc1cccc(CN[C@H](C)c2cccnc2Cl)c1 ZINC000268738223 1127022109 /nfs/dbraw/zinc/02/21/09/1127022109.db2.gz FJEYTUBHVMAQIM-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccccc2Cn2ccnc2)o1 ZINC000268788526 1127023470 /nfs/dbraw/zinc/02/34/70/1127023470.db2.gz WTMBRZBIVZNYCC-HNNXBMFYSA-N 0 1 295.386 3.684 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2CCSc3ccccc32)c(C)n1 ZINC000268828111 1127025307 /nfs/dbraw/zinc/02/53/07/1127025307.db2.gz QFUBHYLOVBZTFL-BLLLJJGKSA-N 0 1 299.443 3.981 20 0 CHADMN Cn1ncc2c1CCC[C@@H]2N[C@H]1CC(C)(C)Cc2occc21 ZINC000268831037 1127025774 /nfs/dbraw/zinc/02/57/74/1127025774.db2.gz QYKATVGONKGFMS-GJZGRUSLSA-N 0 1 299.418 3.694 20 0 CHADMN C[C@@H](NC[C@H](O)C(F)(F)F)c1ccc(-c2ccccc2)o1 ZINC000268858210 1127026449 /nfs/dbraw/zinc/02/64/49/1127026449.db2.gz RLTZQLWSXXIRKC-YGRLFVJLSA-N 0 1 299.292 3.520 20 0 CHADMN Cc1c(CN(C)[C@H](C)c2ccc(Cl)cc2)cnn1C ZINC000268930014 1127029078 /nfs/dbraw/zinc/02/90/78/1127029078.db2.gz QTMJFSHFWRNLFR-LLVKDONJSA-N 0 1 277.799 3.575 20 0 CHADMN Cc1ccc2nc(CNCc3cc(Cl)cs3)[nH]c2c1 ZINC000487329203 1127033792 /nfs/dbraw/zinc/03/37/92/1127033792.db2.gz BFOFEKCPJKXSCZ-UHFFFAOYSA-N 0 1 291.807 3.876 20 0 CHADMN Cc1cc(NC[C@H]2CCCOC2)c2cc(F)ccc2n1 ZINC000269059345 1127034742 /nfs/dbraw/zinc/03/47/42/1127034742.db2.gz XIHFWUGUCLQQFL-GFCCVEGCSA-N 0 1 274.339 3.521 20 0 CHADMN CC=CC(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1 ZINC000909709496 1127035080 /nfs/dbraw/zinc/03/50/80/1127035080.db2.gz UNNBVZGWCAVKQQ-DUXPYHPUSA-N 0 1 285.322 3.608 20 0 CHADMN CSc1ccc(CN(C)CC2=CCSC2)s1 ZINC000668774649 1127030998 /nfs/dbraw/zinc/03/09/98/1127030998.db2.gz GIZGQPWSZQSHPE-UHFFFAOYSA-N 0 1 271.476 3.575 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN(C)CC2=CCSC2)o1 ZINC000668775966 1127031668 /nfs/dbraw/zinc/03/16/68/1127031668.db2.gz VAEJESZEVCAYGG-SMDDNHRTSA-N 0 1 263.406 3.508 20 0 CHADMN COc1cccc2c1CC[C@H]2NCc1ccc(C)cc1OC ZINC000269028739 1127032373 /nfs/dbraw/zinc/03/23/73/1127032373.db2.gz SOTKGQZXWSFIPX-QGZVFWFLSA-N 0 1 297.398 3.789 20 0 CHADMN C[C@@H]1CCCCN1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000487563503 1127035864 /nfs/dbraw/zinc/03/58/64/1127035864.db2.gz WFUWXRJOYRHUNZ-GFCCVEGCSA-N 0 1 291.345 3.525 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1ccnc(Br)c1 ZINC000815093036 1130954980 /nfs/dbraw/zinc/95/49/80/1130954980.db2.gz ZUJYEKREQCEVSO-CYBMUJFWSA-N 0 1 297.240 3.999 20 0 CHADMN OC[C@H](CNc1ccnc2cc(F)ccc21)c1ccccc1 ZINC000487662163 1127038673 /nfs/dbraw/zinc/03/86/73/1127038673.db2.gz QHUDIVCYUWCUSS-AWEZNQCLSA-N 0 1 296.345 3.562 20 0 CHADMN CCOC1(C)CCN([C@@H](C)c2cc(F)ccc2F)CC1 ZINC000428722065 1127038720 /nfs/dbraw/zinc/03/87/20/1127038720.db2.gz GPAOJYCHCFKLMI-LBPRGKRZSA-N 0 1 283.362 3.917 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H](C)Oc2ccccc2F)cs1 ZINC000269429508 1127039638 /nfs/dbraw/zinc/03/96/38/1127039638.db2.gz OYFXNMKURSJBMD-WDEREUQCSA-N 0 1 294.395 3.709 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H](C)Oc2cccc(C)c2)cs1 ZINC000269431484 1127039662 /nfs/dbraw/zinc/03/96/62/1127039662.db2.gz PQOCGAADQIQGTP-OLZOCXBDSA-N 0 1 290.432 3.878 20 0 CHADMN CCOc1cc(CN2CCC3(C2)CCCCC3)c(F)cn1 ZINC001238735185 1131239292 /nfs/dbraw/zinc/23/92/92/1131239292.db2.gz NOAIUNPLWKGADS-UHFFFAOYSA-N 0 1 292.398 3.776 20 0 CHADMN Cc1occc1CNCc1csc(Br)c1 ZINC000067217843 1127044111 /nfs/dbraw/zinc/04/41/11/1127044111.db2.gz YZWQGJAPUZSIHL-UHFFFAOYSA-N 0 1 286.194 3.702 20 0 CHADMN C[C@H](CSC(C)(C)C)N[C@H](C)c1c(F)cncc1F ZINC000797125669 1130964360 /nfs/dbraw/zinc/96/43/60/1130964360.db2.gz JYKHZXYRFOCELG-NXEZZACHSA-N 0 1 288.407 3.931 20 0 CHADMN Cc1ccncc1CN(CCC(F)(F)F)CC1CC1 ZINC000269571655 1127041639 /nfs/dbraw/zinc/04/16/39/1127041639.db2.gz AYTGWTXSZBVTOE-UHFFFAOYSA-N 0 1 272.314 3.554 20 0 CHADMN Cn1ccnc1CN[C@H](CC1CCCC1)c1ccccc1 ZINC000269809862 1127046659 /nfs/dbraw/zinc/04/66/59/1127046659.db2.gz LXPADRRUCGXGSO-QGZVFWFLSA-N 0 1 283.419 3.831 20 0 CHADMN COc1cccc(CN[C@@H]2CCc3c2c(F)ccc3F)c1 ZINC000269871438 1127047333 /nfs/dbraw/zinc/04/73/33/1127047333.db2.gz VBACKAYDSMXGRY-MRXNPFEDSA-N 0 1 289.325 3.751 20 0 CHADMN CCCc1nc(CN(CCOC)[C@@H]2CCC[C@H]2C)cs1 ZINC000487951961 1127049780 /nfs/dbraw/zinc/04/97/80/1127049780.db2.gz IEKPDTWECVDVPU-UKRRQHHQSA-N 0 1 296.480 3.733 20 0 CHADMN c1nc(-c2ccccc2)sc1C[N@H+]1CCCSCC1 ZINC000270706404 1127060371 /nfs/dbraw/zinc/06/03/71/1127060371.db2.gz YBHYEIGHBUZXJY-UHFFFAOYSA-N 0 1 290.457 3.749 20 0 CHADMN Cc1cc(CN2CC(C)(C)OC[C@@H]2C)c2ccccc2n1 ZINC000488190381 1127060579 /nfs/dbraw/zinc/06/05/79/1127060579.db2.gz BZQDKVGQVABUHZ-AWEZNQCLSA-N 0 1 284.403 3.543 20 0 CHADMN CC(C)c1nc(CSc2ccc(Cl)cc2)n[nH]1 ZINC000488249520 1127065463 /nfs/dbraw/zinc/06/54/63/1127065463.db2.gz MHJVBEWNFCLXNY-UHFFFAOYSA-N 0 1 267.785 3.874 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2ccc(Br)c(O)c2)C1 ZINC001236699357 1130995312 /nfs/dbraw/zinc/99/53/12/1130995312.db2.gz RBRFGOFQVVOQGT-QWRGUYRKSA-N 0 1 298.224 3.633 20 0 CHADMN C[C@H](c1ccccc1)N(Cc1cncs1)C1CC1 ZINC000271055549 1127067119 /nfs/dbraw/zinc/06/71/19/1127067119.db2.gz SXSDNCCIJQYQBT-GFCCVEGCSA-N 0 1 258.390 3.869 20 0 CHADMN Cc1ncsc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000271091334 1127068599 /nfs/dbraw/zinc/06/85/99/1127068599.db2.gz WPSDQMFUFUWTRM-CQSZACIVSA-N 0 1 276.380 3.928 20 0 CHADMN Cc1nc(SCc2cc(C)ncn2)[nH]c1-c1ccccc1 ZINC000488294568 1127070350 /nfs/dbraw/zinc/07/03/50/1127070350.db2.gz OIKSXVVAPKSLAP-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN CC(C)CO[C@H]1CCN(Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488289979 1127070506 /nfs/dbraw/zinc/07/05/06/1127070506.db2.gz GKACKDOPFZNVDU-INIZCTEOSA-N 0 1 290.382 3.554 20 0 CHADMN Cc1n[nH]cc1CN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000271174232 1127071176 /nfs/dbraw/zinc/07/11/76/1127071176.db2.gz GKJSPDLDUMMGLT-MRXNPFEDSA-N 0 1 273.355 3.584 20 0 CHADMN Cc1cccc(C)c1OC[C@@H](C)N[C@H](C)c1cscn1 ZINC000271162166 1127071331 /nfs/dbraw/zinc/07/13/31/1127071331.db2.gz SDAIOGLGRCZVPH-ZIAGYGMSSA-N 0 1 290.432 3.878 20 0 CHADMN CC1(F)CCN(Cc2ccc(OC(F)F)cc2F)CC1 ZINC001236718859 1130999443 /nfs/dbraw/zinc/99/94/43/1130999443.db2.gz PTLPFUDKHMRAQC-UHFFFAOYSA-N 0 1 291.288 3.751 20 0 CHADMN C[C@@H](Cc1ccccc1F)N[C@@H](C)c1cscn1 ZINC000271188690 1127072541 /nfs/dbraw/zinc/07/25/41/1127072541.db2.gz XEXNYSMLHKECBU-QWRGUYRKSA-N 0 1 264.369 3.564 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2C)c1 ZINC001236762503 1131004139 /nfs/dbraw/zinc/00/41/39/1131004139.db2.gz HUHNFQZVBFZGDU-LLVKDONJSA-N 0 1 281.783 3.501 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H]2CCCc3c[nH]nc32)c(C)c1 ZINC000271429143 1127080241 /nfs/dbraw/zinc/08/02/41/1127080241.db2.gz APVRGJLEZMDSPC-CJNGLKHVSA-N 0 1 269.392 3.755 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H](C)c2c(C)noc2C)cs1 ZINC000271444137 1127081359 /nfs/dbraw/zinc/08/13/59/1127081359.db2.gz CRIZUSUPSVWGGW-RKDXNWHRSA-N 0 1 279.409 3.511 20 0 CHADMN CCc1nc([C@H](C)N[C@H](C)c2ccc(SC)cc2)n[nH]1 ZINC000271451592 1127083134 /nfs/dbraw/zinc/08/31/34/1127083134.db2.gz GEUNZMVDUZLYPP-MNOVXSKESA-N 0 1 290.436 3.501 20 0 CHADMN COc1ccnc([C@@H](C)N[C@@H]2CCc3cc(F)ccc32)c1 ZINC000924841708 1127084106 /nfs/dbraw/zinc/08/41/06/1127084106.db2.gz DBNYOCVAJHEJHM-BDJLRTHQSA-N 0 1 286.350 3.567 20 0 CHADMN CC[C@@H](c1ccccc1)N(CC)Cc1cc(OC)no1 ZINC000659859467 1127084214 /nfs/dbraw/zinc/08/42/14/1127084214.db2.gz JFSLPXYQSRCEFY-HNNXBMFYSA-N 0 1 274.364 3.656 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc3c(c2)CCCC3)ncn1 ZINC000271475018 1127084364 /nfs/dbraw/zinc/08/43/64/1127084364.db2.gz IXRNMOPUPMLMQM-CQSZACIVSA-N 0 1 281.403 3.515 20 0 CHADMN COc1ccnc([C@@H](C)N[C@H]2CCc3cc(F)ccc32)c1 ZINC000924841710 1127084390 /nfs/dbraw/zinc/08/43/90/1127084390.db2.gz DBNYOCVAJHEJHM-BZNIZROVSA-N 0 1 286.350 3.567 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](C)c2cc3ccccc3o2)n[nH]1 ZINC000271484703 1127085627 /nfs/dbraw/zinc/08/56/27/1127085627.db2.gz JZSVUIQXJMCGRP-WDEREUQCSA-N 0 1 284.363 3.525 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](C)c2cc3ccccc3o2)n[nH]1 ZINC000271484700 1127085744 /nfs/dbraw/zinc/08/57/44/1127085744.db2.gz JZSVUIQXJMCGRP-QWRGUYRKSA-N 0 1 284.363 3.525 20 0 CHADMN COc1ccnc([C@@H](C)N[C@H]2CCc3cc(C)ccc32)c1 ZINC000924842197 1127085808 /nfs/dbraw/zinc/08/58/08/1127085808.db2.gz FXAALVQBKYJJOD-DYVFJYSZSA-N 0 1 282.387 3.737 20 0 CHADMN C[C@H](NC1CC(c2ccccc2)C1)c1cscn1 ZINC000271485411 1127085996 /nfs/dbraw/zinc/08/59/96/1127085996.db2.gz OFGQNPPUCCZLMX-XGNXJENSSA-N 0 1 258.390 3.740 20 0 CHADMN CCc1cccc2c1OCC[C@H]2N[C@@H](C)c1ccncc1 ZINC000271490692 1127086163 /nfs/dbraw/zinc/08/61/63/1127086163.db2.gz OWVCQKYCABTKBZ-SUMWQHHRSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1cccc([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000271499428 1127086450 /nfs/dbraw/zinc/08/64/50/1127086450.db2.gz LXNBGTBTVZBRSH-CHWSQXEVSA-N 0 1 272.396 3.648 20 0 CHADMN COc1ccc(F)cc1[C@H](C)N[C@H](C)c1cnccc1C ZINC000271498287 1127086575 /nfs/dbraw/zinc/08/65/75/1127086575.db2.gz GIQAUSAEQGBPNQ-QWHCGFSZSA-N 0 1 288.366 3.950 20 0 CHADMN CO[C@H](c1ccc(F)cc1)[C@@H](C)N[C@H](C)c1cscn1 ZINC000271494395 1127086824 /nfs/dbraw/zinc/08/68/24/1127086824.db2.gz LHBKRRXUQMJGRA-HFAKWTLXSA-N 0 1 294.395 3.709 20 0 CHADMN COC[C@@H](N[C@@H]1CCc2c1cccc2F)c1ccccc1 ZINC000271522370 1127088699 /nfs/dbraw/zinc/08/86/99/1127088699.db2.gz VACCMTSRUJSOPD-QZTJIDSGSA-N 0 1 285.362 3.790 20 0 CHADMN CCn1cc(CN[C@H]2CCCOc3c(C)cc(C)cc32)cn1 ZINC000271558037 1127091613 /nfs/dbraw/zinc/09/16/13/1127091613.db2.gz XDBOETKXGYBYPN-KRWDZBQOSA-N 0 1 299.418 3.523 20 0 CHADMN C[C@H](N[C@H]1CCc2cc(F)ccc21)c1cccc2c1OCO2 ZINC000924844132 1127093930 /nfs/dbraw/zinc/09/39/30/1127093930.db2.gz QUOMXXGGNREFCM-ZBEGNZNMSA-N 0 1 299.345 3.893 20 0 CHADMN C[C@H](N[C@H]1CCc2c1cccc2F)c1cccc2c1OCO2 ZINC000924844593 1127095277 /nfs/dbraw/zinc/09/52/77/1127095277.db2.gz VUFQMNWDLXMMMP-ZBEGNZNMSA-N 0 1 299.345 3.893 20 0 CHADMN COc1ccc([C@H](C)NCc2cccc(Cl)n2)cc1 ZINC000271670718 1127096594 /nfs/dbraw/zinc/09/65/94/1127096594.db2.gz MWPYWLJZKJWEMS-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN CCc1noc(C)c1CN[C@@H](C)c1ccc2c(c1)CCC2 ZINC000271688692 1127097175 /nfs/dbraw/zinc/09/71/75/1127097175.db2.gz PUJHLOYJMFBADD-LBPRGKRZSA-N 0 1 284.403 3.885 20 0 CHADMN CN(Cc1cccc2nc[nH]c21)[C@@H](C1CCC1)C(F)(F)F ZINC001142693103 1127104336 /nfs/dbraw/zinc/10/43/36/1127104336.db2.gz UKEWPOGSXCQULB-AWEZNQCLSA-N 0 1 297.324 3.726 20 0 CHADMN CCc1nc([C@H](C)NC[C@@H]2CCC3(CCCC3)O2)cs1 ZINC000570461052 1127104865 /nfs/dbraw/zinc/10/48/65/1127104865.db2.gz NJMWZKMUFCXHHU-STQMWFEESA-N 0 1 294.464 3.848 20 0 CHADMN C[C@@H](c1noc(-c2cc(Cl)ccc2O)n1)C1CC1 ZINC000274011049 1127105231 /nfs/dbraw/zinc/10/52/31/1127105231.db2.gz OKEJCTAGNFFSSY-SSDOTTSWSA-N 0 1 264.712 3.609 20 0 CHADMN COc1cccc(C2(N[C@H](C)c3cncc(C)c3)CC2)c1 ZINC000274346017 1127113292 /nfs/dbraw/zinc/11/32/92/1127113292.db2.gz FBQCYEBXAQHGTC-CQSZACIVSA-N 0 1 282.387 3.739 20 0 CHADMN Cc1oc([C@@H](C)[N@H+]2CC3(CCC3)C[C@H]2C)cc1C(=O)[O-] ZINC000570639114 1127115981 /nfs/dbraw/zinc/11/59/81/1127115981.db2.gz SQIZGKPNBHHTPB-GHMZBOCLSA-N 0 1 277.364 3.612 20 0 CHADMN COc1cccc(CNC2(c3cccc(C)c3)CCC2)n1 ZINC000646021649 1127116579 /nfs/dbraw/zinc/11/65/79/1127116579.db2.gz RNZZFZGBTGPRQU-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN COc1ccsc1[C@H](C)N[C@H](CCO)c1ccccc1 ZINC000274421869 1127118854 /nfs/dbraw/zinc/11/88/54/1127118854.db2.gz HMXVQBTVHUZNAA-GXTWGEPZSA-N 0 1 291.416 3.531 20 0 CHADMN CC(C)c1nc([C@H](C)NCCc2ccncc2)cs1 ZINC000274430407 1127119280 /nfs/dbraw/zinc/11/92/80/1127119280.db2.gz JRGIPOGVYREVKH-LBPRGKRZSA-N 0 1 275.421 3.555 20 0 CHADMN COc1ccc(CN[C@H](CC(C)(C)C)c2ccccc2)nn1 ZINC000283291688 1127129713 /nfs/dbraw/zinc/12/97/13/1127129713.db2.gz XZYRFSOCRLXZIA-MRXNPFEDSA-N 0 1 299.418 3.752 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cc(OC)ccn2)cc1 ZINC000924856662 1127129911 /nfs/dbraw/zinc/12/99/11/1127129911.db2.gz DEHCERPJEHXTAO-CHWSQXEVSA-N 0 1 286.375 3.511 20 0 CHADMN COc1ccccc1/C=C\CN1CCC[C@@H]1c1cccnc1 ZINC000348924250 1127134936 /nfs/dbraw/zinc/13/49/36/1127134936.db2.gz VXVGTZGJPOAGTO-JIGZGPPQSA-N 0 1 294.398 3.941 20 0 CHADMN c1[nH]nnc1CCOCc1ccc(C2CCCCC2)cc1 ZINC000570912520 1127137232 /nfs/dbraw/zinc/13/72/32/1127137232.db2.gz CFLUWKLIAVTGOT-UHFFFAOYSA-N 0 1 285.391 3.612 20 0 CHADMN CC(C)c1cnc(CNC2C(C)(C)C2(C)C)s1 ZINC000349200806 1127143377 /nfs/dbraw/zinc/14/33/77/1127143377.db2.gz ZQVATJXJWCPFIF-UHFFFAOYSA-N 0 1 252.427 3.791 20 0 CHADMN CCOc1ccc(CN(CC)CCC(F)(F)F)cc1 ZINC000586768209 1127139635 /nfs/dbraw/zinc/13/96/35/1127139635.db2.gz BLYZSCNGNHRGED-UHFFFAOYSA-N 0 1 275.314 3.860 20 0 CHADMN C[C@@H](N[C@@H](C)CCSc1ccccc1)c1ccon1 ZINC000349246451 1127144687 /nfs/dbraw/zinc/14/46/87/1127144687.db2.gz SRUFLLWKVWVJBF-QWHCGFSZSA-N 0 1 276.405 3.896 20 0 CHADMN COc1c(C)cc(CN(Cc2ccccn2)C2CC2)cc1C ZINC000349272764 1127145373 /nfs/dbraw/zinc/14/53/73/1127145373.db2.gz DLZVWBHJWPTJBZ-UHFFFAOYSA-N 0 1 296.414 3.872 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@@H](CO)c2ccsc2)c1 ZINC000349316272 1127146523 /nfs/dbraw/zinc/14/65/23/1127146523.db2.gz WJYLXVFXUVSUGS-CJNGLKHVSA-N 0 1 275.417 3.749 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccsc1)c1ccc(Cl)s1 ZINC000349344660 1127147907 /nfs/dbraw/zinc/14/79/07/1127147907.db2.gz STAHINWTALCFQL-WPRPVWTQSA-N 0 1 287.837 3.847 20 0 CHADMN C=C(Cl)CN1CCC(COc2ccccc2)CC1 ZINC000055081687 1127149048 /nfs/dbraw/zinc/14/90/48/1127149048.db2.gz GEZRLXJDSLNXEY-UHFFFAOYSA-N 0 1 265.784 3.530 20 0 CHADMN Cc1cccc2ncc(CN(C)[C@H](C)c3ccccc3)n21 ZINC000349545570 1127154463 /nfs/dbraw/zinc/15/44/63/1127154463.db2.gz QOHOUKMYIJCHAI-OAHLLOKOSA-N 0 1 279.387 3.836 20 0 CHADMN CCN(Cc1occc1C)Cc1ccc(OC)c(OC)c1 ZINC000349576851 1127154512 /nfs/dbraw/zinc/15/45/12/1127154512.db2.gz GPBSFBWHOGUGLB-UHFFFAOYSA-N 0 1 289.375 3.627 20 0 CHADMN C[C@H]1CCCN(Cc2ccncc2C(F)(F)F)[C@H]1C ZINC001237289929 1131080090 /nfs/dbraw/zinc/08/00/90/1131080090.db2.gz IFHCFUVLZNYWFO-QWRGUYRKSA-N 0 1 272.314 3.721 20 0 CHADMN CCCc1ccc(CN[C@@H](CO)c2ccsc2)cc1 ZINC000349601926 1127155162 /nfs/dbraw/zinc/15/51/62/1127155162.db2.gz UFPLIOQCSYMMAW-INIZCTEOSA-N 0 1 275.417 3.524 20 0 CHADMN CCCc1ccc(CN[C@H](CO)c2ccsc2)cc1 ZINC000349601927 1127155228 /nfs/dbraw/zinc/15/52/28/1127155228.db2.gz UFPLIOQCSYMMAW-MRXNPFEDSA-N 0 1 275.417 3.524 20 0 CHADMN CC(C)n1cc(CN2CC[C@H]([C@@H]3CCCC3(C)C)C2)nn1 ZINC000646052346 1127161540 /nfs/dbraw/zinc/16/15/40/1127161540.db2.gz NKECAEAERCAFQH-HOCLYGCPSA-N 0 1 290.455 3.507 20 0 CHADMN CCc1nnc(CN2CC[C@H]([C@@H]3CCCC3(C)C)C2)s1 ZINC000646052299 1127162103 /nfs/dbraw/zinc/16/21/03/1127162103.db2.gz KJCYWSAWIGQDMI-STQMWFEESA-N 0 1 293.480 3.749 20 0 CHADMN c1cc2c(cccc2CN2CCO[C@@H](c3ccccc3)C2)[nH]1 ZINC000349799809 1127162215 /nfs/dbraw/zinc/16/22/15/1127162215.db2.gz BGDGAHAEPYKYPR-LJQANCHMSA-N 0 1 292.382 3.741 20 0 CHADMN Fc1ccc(Cl)cc1SCc1n[nH]c(C2CC2)n1 ZINC000349817836 1127162633 /nfs/dbraw/zinc/16/26/33/1127162633.db2.gz BWBCFGCPUFLBLF-UHFFFAOYSA-N 0 1 283.759 3.767 20 0 CHADMN CC[C@@H]1CCCN(C(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC000283901900 1127162672 /nfs/dbraw/zinc/16/26/72/1127162672.db2.gz JDCBSAQPJRDXNN-CYBMUJFWSA-N 0 1 285.391 3.524 20 0 CHADMN COC(=O)c1ccc(CN([C@@H](C)c2ccccc2)C2CC2)o1 ZINC000349922113 1127168034 /nfs/dbraw/zinc/16/80/34/1127168034.db2.gz ZOSUUCQLJWZSDV-ZDUSSCGKSA-N 0 1 299.370 3.792 20 0 CHADMN Cc1ncc(CN([C@@H](C)c2ccccc2)C2CC2)cn1 ZINC000349943564 1127168185 /nfs/dbraw/zinc/16/81/85/1127168185.db2.gz HESPVYMBRGXIRI-ZDUSSCGKSA-N 0 1 267.376 3.511 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC3(CCCC3)CC2)[nH]1 ZINC000284063164 1127172236 /nfs/dbraw/zinc/17/22/36/1127172236.db2.gz RDGKFAMTMBZYFK-UHFFFAOYSA-N 0 1 297.402 3.668 20 0 CHADMN Cc1cc(C)c(NC(=O)CN(C)CCCCCF)c(C)c1 ZINC000284107102 1127173763 /nfs/dbraw/zinc/17/37/63/1127173763.db2.gz MVRHVYWOXUKJIC-UHFFFAOYSA-N 0 1 294.414 3.622 20 0 CHADMN CSCc1cnc(CN(C)C2CCCCC2)s1 ZINC000350149035 1127174002 /nfs/dbraw/zinc/17/40/02/1127174002.db2.gz SVQIPWBBRNHQCF-UHFFFAOYSA-N 0 1 270.467 3.771 20 0 CHADMN COc1ncc([C@@H](C)NCc2cccc(F)c2)cc1Cl ZINC000284198615 1127178222 /nfs/dbraw/zinc/17/82/22/1127178222.db2.gz GLQHZELMLLYDEX-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN CO[C@H](CN(C)Cc1ccc(Cl)nc1)c1ccccc1 ZINC000284347537 1127180901 /nfs/dbraw/zinc/18/09/01/1127180901.db2.gz JWNHDZLNTJHWTA-OAHLLOKOSA-N 0 1 290.794 3.555 20 0 CHADMN C[C@H](c1ccccn1)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000284374155 1127182078 /nfs/dbraw/zinc/18/20/78/1127182078.db2.gz FEUPDKOKOUWMGG-RTXFEEFZSA-N 0 1 285.218 3.658 20 0 CHADMN Cc1cc(CN[C@@H]2C[C@H](C)Sc3sccc32)n(C)n1 ZINC000284411050 1127183264 /nfs/dbraw/zinc/18/32/64/1127183264.db2.gz QGCYVASDRHARER-GXFFZTMASA-N 0 1 293.461 3.505 20 0 CHADMN C[C@@H]1CCC[C@H](CCN2CCC[C@H]2c2ncc[nH]2)C1 ZINC000351023466 1127183560 /nfs/dbraw/zinc/18/35/60/1127183560.db2.gz AEXHQSGDOGVRJD-KFWWJZLASA-N 0 1 261.413 3.763 20 0 CHADMN CC(C)(C)c1ncc(CNCc2cc3ccccc3[nH]2)cn1 ZINC000284449917 1127184940 /nfs/dbraw/zinc/18/49/40/1127184940.db2.gz UFEMFQFUUWMHQL-UHFFFAOYSA-N 0 1 294.402 3.545 20 0 CHADMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1nccs1 ZINC000351205943 1127186496 /nfs/dbraw/zinc/18/64/96/1127186496.db2.gz SOEBPCAOHXTCAS-QMTHXVAHSA-N 0 1 296.823 3.662 20 0 CHADMN CCC[C@@H]1CCCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000284486722 1127186634 /nfs/dbraw/zinc/18/66/34/1127186634.db2.gz UCWQZBXVSWRYAJ-CYBMUJFWSA-N 0 1 285.391 3.524 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(C(C)C)cc2)n(C)n1 ZINC000284516977 1127188123 /nfs/dbraw/zinc/18/81/23/1127188123.db2.gz UJYFTGCJIARTML-AWEZNQCLSA-N 0 1 271.408 3.703 20 0 CHADMN CCO[C@@H]1C[C@@H](N(C)Cc2cc(C)no2)C12CCCCC2 ZINC000351512047 1127191020 /nfs/dbraw/zinc/19/10/20/1127191020.db2.gz DOQQTKXVKHLBGV-HZPDHXFCSA-N 0 1 292.423 3.543 20 0 CHADMN Fc1ccc(F)c(CNc2nccn2Cc2ccccc2)c1 ZINC000351550062 1127193125 /nfs/dbraw/zinc/19/31/25/1127193125.db2.gz HGRPZLUKYZIFEK-UHFFFAOYSA-N 0 1 299.324 3.822 20 0 CHADMN CCOc1cccc(CNc2nccn2CC(C)C)c1 ZINC000351571447 1127194350 /nfs/dbraw/zinc/19/43/50/1127194350.db2.gz YTDODQDWEPRYRY-UHFFFAOYSA-N 0 1 273.380 3.550 20 0 CHADMN COCc1cccc(CNc2nccn2-c2ccccc2)c1 ZINC000351568030 1127194481 /nfs/dbraw/zinc/19/44/81/1127194481.db2.gz LZPVUDLBPQTSFT-UHFFFAOYSA-N 0 1 293.370 3.631 20 0 CHADMN Oc1ccc2c(c1)CC[N@H+](Cc1ccccc1Cl)CC2 ZINC000588754215 1127195439 /nfs/dbraw/zinc/19/54/39/1127195439.db2.gz PDDXNPZFHPDZNM-UHFFFAOYSA-N 0 1 287.790 3.646 20 0 CHADMN COCCN(Cc1ccco1)Cc1ccc(C)c(C)c1 ZINC000351603103 1127197020 /nfs/dbraw/zinc/19/70/20/1127197020.db2.gz RKPIDBFYYUJXTE-UHFFFAOYSA-N 0 1 273.376 3.545 20 0 CHADMN COCCN(Cc1ccc(C)cn1)[C@@H](C)c1ccccc1 ZINC000351601679 1127197500 /nfs/dbraw/zinc/19/75/00/1127197500.db2.gz OAMDLJCYQUXJLG-INIZCTEOSA-N 0 1 284.403 3.600 20 0 CHADMN CS[C@@H]1CC[C@H](N(C)Cn2ccn(C(C)C)c2=S)C1 ZINC001116151360 1131130935 /nfs/dbraw/zinc/13/09/35/1131130935.db2.gz CCDUGECOPFUBIK-QWHCGFSZSA-N 0 1 299.509 3.773 20 0 CHADMN Cc1sccc1CN1CCOC2(CCCCC2)C1 ZINC000351662435 1127202184 /nfs/dbraw/zinc/20/21/84/1127202184.db2.gz XTBYCUXNBQPMIS-UHFFFAOYSA-N 0 1 265.422 3.592 20 0 CHADMN CC[C@H]1CN(Cc2cccc(OC(C)(C)C)n2)CCS1 ZINC000351684097 1127204096 /nfs/dbraw/zinc/20/40/96/1127204096.db2.gz FDILAKMGTRFTAF-AWEZNQCLSA-N 0 1 294.464 3.586 20 0 CHADMN C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCC(C)(C)CC1 ZINC000588904085 1127204722 /nfs/dbraw/zinc/20/47/22/1127204722.db2.gz OSLWTTOVZPDBEJ-LBPRGKRZSA-N 0 1 294.826 3.789 20 0 CHADMN CSC[C@H]1CCC[N@H+]1Cc1cccc(OC(C)(C)C)n1 ZINC000351703576 1127204943 /nfs/dbraw/zinc/20/49/43/1127204943.db2.gz OOYPPIYKDYPYHJ-CQSZACIVSA-N 0 1 294.464 3.586 20 0 CHADMN CCCCCC(C)(C)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000760714409 1127206142 /nfs/dbraw/zinc/20/61/42/1127206142.db2.gz UGKNKAALTOLOKT-UHFFFAOYSA-N 0 1 274.368 3.503 20 0 CHADMN CCO[C@@H]1C[C@H](N(C)Cc2conc2CC)C1(CC)CC ZINC000351760531 1127207955 /nfs/dbraw/zinc/20/79/55/1127207955.db2.gz UXQBCLSXPDYQLJ-JKSUJKDBSA-N 0 1 294.439 3.653 20 0 CHADMN Cc1oc2ccccc2c1CN[C@H](CO)c1ccsc1 ZINC000351880269 1127213098 /nfs/dbraw/zinc/21/30/98/1127213098.db2.gz KBKFJMNFPDMAPP-OAHLLOKOSA-N 0 1 287.384 3.626 20 0 CHADMN Cc1csc([C@H]2CCCCN2CC[C@@H](C)F)n1 ZINC000352131723 1127219232 /nfs/dbraw/zinc/21/92/32/1127219232.db2.gz VGIUHRIQBVBGQG-ZYHUDNBSSA-N 0 1 256.390 3.727 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1cccc(C)c1 ZINC000285349558 1127223454 /nfs/dbraw/zinc/22/34/54/1127223454.db2.gz AQRANOXZQPKZHE-UHFFFAOYSA-N 0 1 258.365 3.625 20 0 CHADMN CCCC[C@H](CC)C[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C ZINC000572663571 1127223597 /nfs/dbraw/zinc/22/35/97/1127223597.db2.gz RVQMTCWIANIZFJ-LJISPDSOSA-N 0 1 269.429 3.776 20 0 CHADMN CCCc1ccc(C[N@H+]2CC[C@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000572773812 1127226732 /nfs/dbraw/zinc/22/67/32/1127226732.db2.gz IBWIUKRPEMFMPW-GOSISDBHSA-N 0 1 289.419 3.572 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2cc3cccc(F)c3o2)cn1 ZINC000352413699 1127229944 /nfs/dbraw/zinc/22/99/44/1127229944.db2.gz QFYLPMDADLRARD-JTQLQIEISA-N 0 1 285.322 3.521 20 0 CHADMN CCOC1CC2(C1)CCN(Cc1ccc(Cl)s1)C2 ZINC000285480680 1127230891 /nfs/dbraw/zinc/23/08/91/1127230891.db2.gz LLEUWKOYMYNTPB-UHFFFAOYSA-N 0 1 285.840 3.793 20 0 CHADMN Cc1cc2cc(CNCc3cnc(C)s3)ccc2[nH]1 ZINC000285522564 1127234974 /nfs/dbraw/zinc/23/49/74/1127234974.db2.gz PCDNMCIQTMMFTB-UHFFFAOYSA-N 0 1 271.389 3.531 20 0 CHADMN Cc1ncc(CNCc2ccc3sccc3c2)s1 ZINC000352483085 1127236699 /nfs/dbraw/zinc/23/66/99/1127236699.db2.gz XSKRDVBXVUNQHS-UHFFFAOYSA-N 0 1 274.414 3.956 20 0 CHADMN Cc1cc2cc(CN[C@@H](C)c3ccco3)ccc2[nH]1 ZINC000285611991 1127238903 /nfs/dbraw/zinc/23/89/03/1127238903.db2.gz JFLLRTPDVISMFI-LBPRGKRZSA-N 0 1 254.333 3.920 20 0 CHADMN Cc1ccnc([C@@H](C)NCc2ccc(OC(F)F)cc2)c1 ZINC000285621109 1127239156 /nfs/dbraw/zinc/23/91/56/1127239156.db2.gz KRTGHOFOKZXMFT-GFCCVEGCSA-N 0 1 292.329 3.842 20 0 CHADMN C[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ccon2)C1 ZINC000285645805 1127239900 /nfs/dbraw/zinc/23/99/00/1127239900.db2.gz SALFOTRHECWMSI-XJKSGUPXSA-N 0 1 256.349 3.648 20 0 CHADMN C[C@H]1CC[C@H](c2ccccc2)N(Cc2ccon2)C1 ZINC000285645805 1127239903 /nfs/dbraw/zinc/23/99/03/1127239903.db2.gz SALFOTRHECWMSI-XJKSGUPXSA-N 0 1 256.349 3.648 20 0 CHADMN CC[C@@H]1CCCN1Cc1cc(Br)ccc1F ZINC000590062555 1127247923 /nfs/dbraw/zinc/24/79/23/1127247923.db2.gz QDNLJLGDYJWSIK-GFCCVEGCSA-N 0 1 286.188 3.963 20 0 CHADMN Cc1cn[nH]c1CNc1ccc2nc(C(F)F)sc2c1 ZINC000352872925 1127248208 /nfs/dbraw/zinc/24/82/08/1127248208.db2.gz RRVIALLGAFURCX-UHFFFAOYSA-N 0 1 294.330 3.878 20 0 CHADMN CC(C)CSCCC[NH2+]Cc1cccc([O-])c1Cl ZINC000590186361 1127250756 /nfs/dbraw/zinc/25/07/56/1127250756.db2.gz XPOZPKFWXPZAOU-UHFFFAOYSA-N 0 1 287.856 3.915 20 0 CHADMN CC[C@H](NCc1ccoc1C)c1ccc(C(=O)OC)cc1 ZINC000590242661 1127252403 /nfs/dbraw/zinc/25/24/03/1127252403.db2.gz WPKGEBOBOHFBMX-INIZCTEOSA-N 0 1 287.359 3.616 20 0 CHADMN Cc1cn[nH]c1CNc1cccc(C(F)F)c1Cl ZINC000352936788 1127253194 /nfs/dbraw/zinc/25/31/94/1127253194.db2.gz JZRIPYWYUVRBAF-UHFFFAOYSA-N 0 1 271.698 3.921 20 0 CHADMN Fc1ccc2oc(CNCc3cnn4ccccc34)cc2c1 ZINC000353031590 1127258143 /nfs/dbraw/zinc/25/81/43/1127258143.db2.gz CUKCSYAJWTUUNB-UHFFFAOYSA-N 0 1 295.317 3.509 20 0 CHADMN CC[C@H](NCc1cn2ccsc2n1)c1cccc(C)c1 ZINC000286114512 1127259529 /nfs/dbraw/zinc/25/95/29/1127259529.db2.gz NVLPNSRMMMRRQJ-HNNXBMFYSA-N 0 1 285.416 3.945 20 0 CHADMN Cc1oc(C(C)C)nc1C(=O)Nc1cc2cn[nH]c2cc1C ZINC000286477140 1127267796 /nfs/dbraw/zinc/26/77/96/1127267796.db2.gz LFSFUCSWAMQJBZ-UHFFFAOYSA-N 0 1 298.346 3.543 20 0 CHADMN CC[C@H](NCc1c(C)cnn1C)c1ccc(Cl)s1 ZINC000286504235 1127268757 /nfs/dbraw/zinc/26/87/57/1127268757.db2.gz MNVYACFTJJGUGQ-JTQLQIEISA-N 0 1 283.828 3.684 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccsc1)c1nccc2ccccc21 ZINC000353592679 1127271127 /nfs/dbraw/zinc/27/11/27/1127271127.db2.gz BCKFRIVNJMFQII-WBMJQRKESA-N 0 1 298.411 3.681 20 0 CHADMN c1sc(Nc2ccccc2)nc1CN1CCC[C@@H]1C1CC1 ZINC000590820172 1127274936 /nfs/dbraw/zinc/27/49/36/1127274936.db2.gz KRLQCGCBUPPJSS-MRXNPFEDSA-N 0 1 299.443 3.683 20 0 CHADMN Cc1cc(CN[C@@H](c2cccnc2)C2CCCCC2)[nH]n1 ZINC000590798431 1127273621 /nfs/dbraw/zinc/27/36/21/1127273621.db2.gz VEDPTMRMVROCBZ-QGZVFWFLSA-N 0 1 284.407 3.524 20 0 CHADMN Cc1cc(CN[C@H](c2cccnc2)C2CCCCC2)[nH]n1 ZINC000590798430 1127273772 /nfs/dbraw/zinc/27/37/72/1127273772.db2.gz VEDPTMRMVROCBZ-KRWDZBQOSA-N 0 1 284.407 3.524 20 0 CHADMN CCCC1(C(=O)Nc2cc(F)cc(Cl)c2O)CC1 ZINC000353892651 1127276537 /nfs/dbraw/zinc/27/65/37/1127276537.db2.gz ILXBQPSVUMOEGI-UHFFFAOYSA-N 0 1 271.719 3.704 20 0 CHADMN Cc1ncccc1CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000590880686 1127276884 /nfs/dbraw/zinc/27/68/84/1127276884.db2.gz QHQMHTONPIKRNM-JTQLQIEISA-N 0 1 262.303 3.519 20 0 CHADMN CCSc1ccc([C@H](C)NCc2cc(C)n[nH]2)cc1 ZINC000590881781 1127277274 /nfs/dbraw/zinc/27/72/74/1127277274.db2.gz LHKPXYSUILJNPU-LBPRGKRZSA-N 0 1 275.421 3.681 20 0 CHADMN CC[C@@H]1CN(Cc2ccc([C@H]3C[C@H]3C)o2)CCS1 ZINC000353902774 1127277322 /nfs/dbraw/zinc/27/73/22/1127277322.db2.gz VCHVUKFBWBHBIY-BNOWGMLFSA-N 0 1 265.422 3.730 20 0 CHADMN Cc1ccc(C[N@H+]2Cc3ccccc3OC(C)(C)C2)cn1 ZINC000573046329 1127280477 /nfs/dbraw/zinc/28/04/77/1127280477.db2.gz XRALCRSMFNZURQ-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN Cc1ccc(CN2Cc3ccccc3OC(C)(C)C2)cn1 ZINC000573046329 1127280479 /nfs/dbraw/zinc/28/04/79/1127280479.db2.gz XRALCRSMFNZURQ-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@H](C)c2ccc3n[nH]cc3c2)c1 ZINC000353969605 1127282545 /nfs/dbraw/zinc/28/25/45/1127282545.db2.gz BMQTZCZGNDYWFL-CHWSQXEVSA-N 0 1 280.375 3.678 20 0 CHADMN CCn1cc(CN[C@H](C)c2cc(C)c(F)c(C)c2)cn1 ZINC000353977145 1127283435 /nfs/dbraw/zinc/28/34/35/1127283435.db2.gz ZIEWDDMPRNOGLD-CYBMUJFWSA-N 0 1 275.371 3.510 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccc(Cl)cc1)c1cncs1 ZINC000287072069 1127285554 /nfs/dbraw/zinc/28/55/54/1127285554.db2.gz OEMJLVLUHVCXQN-ZWNOBZJWSA-N 0 1 296.823 3.571 20 0 CHADMN CCc1cnc(CN(C)[C@@H]2CCC[C@@H](C)C2)s1 ZINC000354011512 1127284524 /nfs/dbraw/zinc/28/45/24/1127284524.db2.gz SZRLPEROWZRRKA-VXGBXAGGSA-N 0 1 252.427 3.716 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H]2CSC[C@H]2C)cs1 ZINC000354018287 1127285849 /nfs/dbraw/zinc/28/58/49/1127285849.db2.gz PEIYXRCTVXELGH-OUAUKWLOSA-N 0 1 270.467 3.669 20 0 CHADMN O=C(C[C@H]1C=CCCC1)Nc1cc(Cl)c(O)cc1F ZINC000287078802 1127286328 /nfs/dbraw/zinc/28/63/28/1127286328.db2.gz VUCLSXKPWDBONO-VIFPVBQESA-N 0 1 283.730 3.870 20 0 CHADMN CN(Cc1ccc[nH]1)Cc1cc(Cl)cc2cccnc21 ZINC000354032701 1127287054 /nfs/dbraw/zinc/28/70/54/1127287054.db2.gz CYLNHJMVSQJOPQ-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CC[C@]1(C)CCN(Cc2nccn2Cc2ccccc2)C1 ZINC000354105655 1127293094 /nfs/dbraw/zinc/29/30/94/1127293094.db2.gz DEWLASZSBPLQPA-GOSISDBHSA-N 0 1 283.419 3.553 20 0 CHADMN CN(Cc1ncc(-c2cccc(F)c2)o1)C(C)(C)C ZINC000573115091 1127293519 /nfs/dbraw/zinc/29/35/19/1127293519.db2.gz ZIVZNQSRDPCMPU-UHFFFAOYSA-N 0 1 262.328 3.711 20 0 CHADMN Oc1cc(F)cc(CN2CC[C@H](c3ccccc3F)C2)c1 ZINC000354125339 1127295188 /nfs/dbraw/zinc/29/51/88/1127295188.db2.gz DOUCOYBMSIWCQT-ZDUSSCGKSA-N 0 1 289.325 3.660 20 0 CHADMN CCCC[N@@H+](CCC)Cc1ccc(F)cc1C(=O)[O-] ZINC001238234928 1131186244 /nfs/dbraw/zinc/18/62/44/1131186244.db2.gz NAZXTULFQLKDSM-UHFFFAOYSA-N 0 1 267.344 3.536 20 0 CHADMN Cc1nccc(N2CCc3c(F)ccc(F)c3C2)c1Cl ZINC000354155181 1127296459 /nfs/dbraw/zinc/29/64/59/1127296459.db2.gz JAIAHAAHEIMJQG-UHFFFAOYSA-N 0 1 294.732 3.884 20 0 CHADMN CCOC(=O)c1coc(CN[C@H]2CCc3cc(C)ccc32)c1 ZINC000354177133 1127297561 /nfs/dbraw/zinc/29/75/61/1127297561.db2.gz ZQACAALMYAZPNF-KRWDZBQOSA-N 0 1 299.370 3.542 20 0 CHADMN CCCCC[N@@H+](Cc1cc(C(=O)[O-])oc1CC)C(C)C ZINC000573213654 1127298261 /nfs/dbraw/zinc/29/82/61/1127298261.db2.gz MOHYGUJYKPOJJN-UHFFFAOYSA-N 0 1 281.396 3.941 20 0 CHADMN Cc1ccncc1CNCc1ccc(-c2ccccc2)o1 ZINC000354215153 1127298561 /nfs/dbraw/zinc/29/85/61/1127298561.db2.gz GOKZODLWGJDQFP-UHFFFAOYSA-N 0 1 278.355 3.940 20 0 CHADMN CC1(C)CCCN1Cc1cc(F)ccc1Br ZINC000591377183 1127299807 /nfs/dbraw/zinc/29/98/07/1127299807.db2.gz JYIRRULLRBHIHC-UHFFFAOYSA-N 0 1 286.188 3.963 20 0 CHADMN C[C@H](N[C@H]1CSC[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000287375557 1127302856 /nfs/dbraw/zinc/30/28/56/1127302856.db2.gz HYKLRAKPAJYLRQ-FXQIFTODSA-N 0 1 296.383 3.564 20 0 CHADMN Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC=CCC1 ZINC000679358232 1127302985 /nfs/dbraw/zinc/30/29/85/1127302985.db2.gz FPNSDFZQJFNLLO-UHFFFAOYSA-N 0 1 287.794 3.596 20 0 CHADMN Cc1cc(CN[C@@H](CCC(C)C)c2ccoc2)n(C)n1 ZINC000287359936 1127301594 /nfs/dbraw/zinc/30/15/94/1127301594.db2.gz HFSKVEJSEHAYGT-INIZCTEOSA-N 0 1 275.396 3.589 20 0 CHADMN C[C@H](NCc1cnnn1C)c1ccc(C2CCCCC2)cc1 ZINC000287485349 1127307933 /nfs/dbraw/zinc/30/79/33/1127307933.db2.gz XIZGJNPTVIXQNX-AWEZNQCLSA-N 0 1 298.434 3.714 20 0 CHADMN CCc1ccc(N[C@@H](c2nnc[nH]2)c2ccc(F)cc2)cc1 ZINC000573393140 1127308507 /nfs/dbraw/zinc/30/85/07/1127308507.db2.gz ZTVAVNWRIWGVPF-MRXNPFEDSA-N 0 1 296.349 3.708 20 0 CHADMN CCO[C@@H](c1noc(-c2cc(Cl)ccc2O)n1)C(C)C ZINC000157409661 1127308845 /nfs/dbraw/zinc/30/88/45/1127308845.db2.gz NTHVXKQRJCNARD-GFCCVEGCSA-N 0 1 296.754 3.829 20 0 CHADMN COc1cc([C@@H](C)N[C@@H]2CCc3ccccc32)c(F)cn1 ZINC000287537417 1127309562 /nfs/dbraw/zinc/30/95/62/1127309562.db2.gz DWPOJTVIVPZVPN-BDJLRTHQSA-N 0 1 286.350 3.567 20 0 CHADMN Cc1cc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)ncc1Cl ZINC001238418709 1131197079 /nfs/dbraw/zinc/19/70/79/1131197079.db2.gz ITXKXZPXIYZVBM-PHIMTYICSA-N 0 1 286.753 3.521 20 0 CHADMN Cc1nnc(SCCc2c(Cl)cccc2Cl)[nH]1 ZINC001117757135 1131197251 /nfs/dbraw/zinc/19/72/51/1131197251.db2.gz PTQMNCPQHWICHJ-UHFFFAOYSA-N 0 1 288.203 3.755 20 0 CHADMN CCC[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccccn1 ZINC000591698057 1127314031 /nfs/dbraw/zinc/31/40/31/1127314031.db2.gz BDWGPWWSUWIICR-CQSZACIVSA-N 0 1 280.375 3.589 20 0 CHADMN Cc1cccc(C)c1[C@@H](C)NCc1nccn1C(C)C ZINC000355036897 1127317091 /nfs/dbraw/zinc/31/70/91/1127317091.db2.gz PEURGCFYJIIFND-OAHLLOKOSA-N 0 1 271.408 3.932 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Br)cn2)C[C@@H](C)C1 ZINC000355114459 1127317552 /nfs/dbraw/zinc/31/75/52/1127317552.db2.gz PEMZVMPQDHVSNV-NEPJUHHUSA-N 0 1 297.240 3.712 20 0 CHADMN CC[C@H](N[C@H](C)c1nc(C(C)C)no1)C(C)(C)C ZINC000591819126 1127320127 /nfs/dbraw/zinc/32/01/27/1127320127.db2.gz FETICXTZQFLOSC-MNOVXSKESA-N 0 1 253.390 3.668 20 0 CHADMN CCCn1c2ccccc2nc1C[N@H+]1CC[C@H](C)[C@H]1C ZINC000355142156 1127320793 /nfs/dbraw/zinc/32/07/93/1127320793.db2.gz ZRAFBUYLBIGGDS-UONOGXRCSA-N 0 1 271.408 3.677 20 0 CHADMN CC(C)Oc1cc(CN2[C@H](C)CCC[C@H]2C)cnc1F ZINC001238591188 1131220037 /nfs/dbraw/zinc/22/00/37/1131220037.db2.gz YNHGBHPNWKBPJW-CHWSQXEVSA-N 0 1 280.387 3.771 20 0 CHADMN Cc1cccc(F)c1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000479513295 1127341881 /nfs/dbraw/zinc/34/18/81/1127341881.db2.gz DJMKDAWKWLUDGH-UHFFFAOYSA-N 0 1 299.754 3.588 20 0 CHADMN CCc1noc([C@H](C)N2CCC[C@@H](Cc3ccccc3)C2)n1 ZINC000592323129 1127342179 /nfs/dbraw/zinc/34/21/79/1127342179.db2.gz JTOAERKROGFSFP-HOCLYGCPSA-N 0 1 299.418 3.648 20 0 CHADMN CCC1CCC(NCc2noc(-c3cccs3)n2)CC1 ZINC000574010043 1127347713 /nfs/dbraw/zinc/34/77/13/1127347713.db2.gz GYMCSLQNTFKYKO-UHFFFAOYSA-N 0 1 291.420 3.857 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(C)o2)c(C)c1OC ZINC000288508530 1127344059 /nfs/dbraw/zinc/34/40/59/1127344059.db2.gz SOOOGTWFEDTNFB-CYBMUJFWSA-N 0 1 289.375 3.764 20 0 CHADMN CCCn1cc(CN[C@H]2CCCc3ccc(F)cc32)cn1 ZINC000355510948 1127346015 /nfs/dbraw/zinc/34/60/15/1127346015.db2.gz HZEWQPUPUYHSLE-KRWDZBQOSA-N 0 1 287.382 3.599 20 0 CHADMN C[C@@H](NCc1ccccc1)c1ccc(Br)cn1 ZINC000355511057 1127346596 /nfs/dbraw/zinc/34/65/96/1127346596.db2.gz IPVOGOAQOCADRG-LLVKDONJSA-N 0 1 291.192 3.695 20 0 CHADMN Cc1ccncc1CN(C)Cc1cc(C)c2ncccc2c1 ZINC000355606479 1127353662 /nfs/dbraw/zinc/35/36/62/1127353662.db2.gz LBYVMXOXEYLLSX-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN CCCOc1cccc(CN(C)Cc2cnccc2C)c1 ZINC000355598565 1127352801 /nfs/dbraw/zinc/35/28/01/1127352801.db2.gz AMJZEVDAKGMMEQ-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN COc1ccc2nc(CN3CC[C@@H]3C(C)C)sc2c1 ZINC000355627236 1127355635 /nfs/dbraw/zinc/35/56/35/1127355635.db2.gz XKVZSMHTUYUVTN-CYBMUJFWSA-N 0 1 276.405 3.535 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC[C@]2(CCCOC2)C1 ZINC000355779844 1127364695 /nfs/dbraw/zinc/36/46/95/1127364695.db2.gz HDXSCNNCMWYMMJ-DYVFJYSZSA-N 0 1 295.373 3.918 20 0 CHADMN COCC[C@@H](NCc1ccc(F)c(Cl)c1)c1ccco1 ZINC000355720182 1127360554 /nfs/dbraw/zinc/36/05/54/1127360554.db2.gz CQRUBJJQWFYWLQ-CQSZACIVSA-N 0 1 297.757 3.940 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC[C@@]2(CCCOC2)C1 ZINC000355743271 1127362785 /nfs/dbraw/zinc/36/27/85/1127362785.db2.gz MBORGYAJFOONDA-SUMWQHHRSA-N 0 1 295.373 3.918 20 0 CHADMN CC(C)C[C@@H](C)N1CCO[C@@H](c2ccsc2)C1 ZINC000355906900 1127367309 /nfs/dbraw/zinc/36/73/09/1127367309.db2.gz NXMVJZATGVYWIW-TZMCWYRMSA-N 0 1 253.411 3.556 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc2occc2s1 ZINC000679369702 1127372664 /nfs/dbraw/zinc/37/26/64/1127372664.db2.gz JGJCUKRXCGVZJS-UHFFFAOYSA-N 0 1 297.286 3.716 20 0 CHADMN CC[C@H]1CCCN1Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356086054 1127374388 /nfs/dbraw/zinc/37/43/88/1127374388.db2.gz MQVYEORPVNAQEP-LBPRGKRZSA-N 0 1 273.298 3.785 20 0 CHADMN Cc1cnc([C@@H](C)Sc2nc(-c3ccccc3)n[nH]2)o1 ZINC000356192223 1127377716 /nfs/dbraw/zinc/37/77/16/1127377716.db2.gz SWGQUBRXZYOYPX-SNVBAGLBSA-N 0 1 286.360 3.621 20 0 CHADMN Cc1cnc([C@H](C)Sc2nc(-c3ccccc3)n[nH]2)o1 ZINC000356192221 1127377826 /nfs/dbraw/zinc/37/78/26/1127377826.db2.gz SWGQUBRXZYOYPX-JTQLQIEISA-N 0 1 286.360 3.621 20 0 CHADMN CO[C@H](CNCc1ncc(-c2ccccc2)s1)C(C)C ZINC000356306429 1127381486 /nfs/dbraw/zinc/38/14/86/1127381486.db2.gz LCJIUQXPPVEGPD-CQSZACIVSA-N 0 1 290.432 3.571 20 0 CHADMN CCn1cc(CN2CCC[C@H]2/C=C/c2ccccc2)cn1 ZINC000357016174 1127386001 /nfs/dbraw/zinc/38/60/01/1127386001.db2.gz ZCXGLMYAEVILPH-ZGKFYVQTSA-N 0 1 281.403 3.581 20 0 CHADMN C[C@@H]1CCN(Cc2nc3cccnc3s2)CC12CCC2 ZINC000357043830 1127386577 /nfs/dbraw/zinc/38/65/77/1127386577.db2.gz RYSUEENNFVPNFC-GFCCVEGCSA-N 0 1 287.432 3.703 20 0 CHADMN Clc1cc(CN2CCC[C@H](c3ccncc3)C2)ccn1 ZINC000289353249 1127382916 /nfs/dbraw/zinc/38/29/16/1127382916.db2.gz NEPWSAGEFLYCAT-HNNXBMFYSA-N 0 1 287.794 3.510 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1nc(CCc2ccccc2)no1 ZINC000357529335 1127391565 /nfs/dbraw/zinc/39/15/65/1127391565.db2.gz NPDIZRKIJBPRSO-GDBMZVCRSA-N 0 1 299.418 3.618 20 0 CHADMN C[C@@H](c1noc(-c2cc(-c3ccccc3)n[nH]2)n1)C1CC1 ZINC000357592575 1127391779 /nfs/dbraw/zinc/39/17/79/1127391779.db2.gz JAGFNSDXKMMLFW-SNVBAGLBSA-N 0 1 280.331 3.640 20 0 CHADMN CC(C)Sc1ccc(CN2CCSCC2)cc1 ZINC000358033870 1127397289 /nfs/dbraw/zinc/39/72/89/1127397289.db2.gz LOZNPBFUFLQKQN-UHFFFAOYSA-N 0 1 267.463 3.736 20 0 CHADMN Cc1c(CN2CCc3ccc(C(C)(C)C)cc3C2)cnn1C ZINC000358066474 1127400318 /nfs/dbraw/zinc/40/03/18/1127400318.db2.gz UWVXBYULOCJOSE-UHFFFAOYSA-N 0 1 297.446 3.584 20 0 CHADMN Cc1n[nH]cc1CN[C@H]1CCCOc2c(C(C)C)cccc21 ZINC000358157773 1127405000 /nfs/dbraw/zinc/40/50/00/1127405000.db2.gz OYUHPRKSRCFHCV-KRWDZBQOSA-N 0 1 299.418 3.845 20 0 CHADMN COC[C@H](N[C@H](C)c1cnccc1C)c1ccc(F)cc1 ZINC000358174153 1127406291 /nfs/dbraw/zinc/40/62/91/1127406291.db2.gz KQPQDIPFCCTOKE-DYVFJYSZSA-N 0 1 288.366 3.567 20 0 CHADMN COC[C@@H](N[C@H](C)c1ccsc1)c1ccc(F)cc1 ZINC000358200566 1127408470 /nfs/dbraw/zinc/40/84/70/1127408470.db2.gz ITNSJLNIHNMWHA-IAQYHMDHSA-N 0 1 279.380 3.926 20 0 CHADMN CC[C@H](N[C@H](C)c1n[nH]c(C(C)C)n1)c1cccs1 ZINC000358231705 1127409478 /nfs/dbraw/zinc/40/94/78/1127409478.db2.gz AKGKKJAPCSWKKG-MNOVXSKESA-N 0 1 278.425 3.792 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](C)c2cc(C)c(F)c(C)c2)n[nH]1 ZINC000358251714 1127411037 /nfs/dbraw/zinc/41/10/37/1127411037.db2.gz RAPLDDQTSYPFRK-VXGBXAGGSA-N 0 1 290.386 3.535 20 0 CHADMN CSc1ccc(CN2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761050083 1127411927 /nfs/dbraw/zinc/41/19/27/1127411927.db2.gz BKTDJRMCUHWQQV-LLVKDONJSA-N 0 1 275.339 3.793 20 0 CHADMN CCC1(CC)[C@H](N[C@@H](C)c2csc(C)n2)C[C@@H]1OC ZINC000358287904 1127412789 /nfs/dbraw/zinc/41/27/89/1127412789.db2.gz MTIFCRRGTQEOMO-GDLCADMTSA-N 0 1 282.453 3.696 20 0 CHADMN CSc1ccc([C@H](C)N[C@H](C)c2cn[nH]c2)cc1F ZINC000358351139 1127416726 /nfs/dbraw/zinc/41/67/26/1127416726.db2.gz KGNAIYADNAOAPQ-VHSXEESVSA-N 0 1 279.384 3.683 20 0 CHADMN CCOc1ccc2nc(SCCCCCCO)[nH]c2c1 ZINC000226777336 1127425318 /nfs/dbraw/zinc/42/53/18/1127425318.db2.gz PFZFUWHTSJDZCC-UHFFFAOYSA-N 0 1 294.420 3.606 20 0 CHADMN CN(CCCO[C@H]1CCCCO1)Cc1ccccc1Cl ZINC000358836460 1127435667 /nfs/dbraw/zinc/43/56/67/1127435667.db2.gz VPCGSHMBHAHELQ-INIZCTEOSA-N 0 1 297.826 3.705 20 0 CHADMN Cc1ccc(F)cc1CN[C@@H](C)c1cncc(F)c1 ZINC000358975901 1127442416 /nfs/dbraw/zinc/44/24/16/1127442416.db2.gz JKSZACMQXDYWMF-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN CCSC1(CNCc2ncc(C(F)(F)F)s2)CC1 ZINC000594986545 1127443748 /nfs/dbraw/zinc/44/37/48/1127443748.db2.gz FTFMHUKRVMDAJO-UHFFFAOYSA-N 0 1 296.383 3.537 20 0 CHADMN FC(F)C1(CN[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000359004130 1127444129 /nfs/dbraw/zinc/44/41/29/1127444129.db2.gz SUQDVZYHXKHQPK-OAHLLOKOSA-N 0 1 288.341 3.806 20 0 CHADMN Cc1c(Cl)c(CN2CC[C@H]3C[C@H]32)nc2ccccc12 ZINC000761088723 1127445070 /nfs/dbraw/zinc/44/50/70/1127445070.db2.gz IBIPOYHPYZHPEC-XHDPSFHLSA-N 0 1 272.779 3.791 20 0 CHADMN COC(=O)c1coc([C@@H](C)NCc2cc(C)cc(C)c2)c1 ZINC000595071943 1127448690 /nfs/dbraw/zinc/44/86/90/1127448690.db2.gz DHDBPKVGVZVPIA-CYBMUJFWSA-N 0 1 287.359 3.534 20 0 CHADMN C[C@H](CSCCF)NCc1coc(-c2ccccc2)n1 ZINC000595029869 1127449502 /nfs/dbraw/zinc/44/95/02/1127449502.db2.gz ZVRCJOFWNBCGRY-GFCCVEGCSA-N 0 1 294.395 3.522 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccc1N(C)C)c1cncc(F)c1 ZINC000359217083 1127454529 /nfs/dbraw/zinc/45/45/29/1127454529.db2.gz ANFZDFNDFQPDJV-STQMWFEESA-N 0 1 287.382 3.699 20 0 CHADMN COc1cc(C)c(CN(C)Cc2sccc2C)c(C)n1 ZINC000359220324 1127454773 /nfs/dbraw/zinc/45/47/73/1127454773.db2.gz GQJYECRGHWQKKI-UHFFFAOYSA-N 0 1 290.432 3.709 20 0 CHADMN CCc1nc(C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)cs1 ZINC000359299385 1127457305 /nfs/dbraw/zinc/45/73/05/1127457305.db2.gz LOIMHZOSFHIAQO-IUODEOHRSA-N 0 1 264.438 3.718 20 0 CHADMN CCc1nc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)cs1 ZINC000359299385 1127457308 /nfs/dbraw/zinc/45/73/08/1127457308.db2.gz LOIMHZOSFHIAQO-IUODEOHRSA-N 0 1 264.438 3.718 20 0 CHADMN COc1cc(C)c(CN2CC[C@H]2c2ccccc2)c(C)n1 ZINC000359216380 1127454856 /nfs/dbraw/zinc/45/48/56/1127454856.db2.gz BAFVDCJUAAGALK-KRWDZBQOSA-N 0 1 282.387 3.654 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1cccnc1C)[C@H]2C ZINC000359298066 1127457660 /nfs/dbraw/zinc/45/76/60/1127457660.db2.gz KFUWDOTXAVGGML-ZFWWWQNUSA-N 0 1 296.414 3.906 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1cccnc1C)[C@H]2C ZINC000359298066 1127457662 /nfs/dbraw/zinc/45/76/62/1127457662.db2.gz KFUWDOTXAVGGML-ZFWWWQNUSA-N 0 1 296.414 3.906 20 0 CHADMN Cc1cnc(=S)n(CN2CCC[C@H](C(C)C)CC2)c1 ZINC000758330960 1127457693 /nfs/dbraw/zinc/45/76/93/1127457693.db2.gz DBBHOYRMMXUGHP-AWEZNQCLSA-N 0 1 279.453 3.637 20 0 CHADMN CSCCCN(C)Cc1cccc(F)c1OC(F)F ZINC000595469993 1127463512 /nfs/dbraw/zinc/46/35/12/1127463512.db2.gz LGFKIBLVJZEFAX-UHFFFAOYSA-N 0 1 293.354 3.612 20 0 CHADMN CSc1ccc(NC(=O)CN2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000595571765 1127466373 /nfs/dbraw/zinc/46/63/73/1127466373.db2.gz GPAVQDXDPWHXLP-STQMWFEESA-N 0 1 292.448 3.610 20 0 CHADMN C[C@H]1CC[C@]2(CCN(Cc3cc(-c4ccco4)on3)C2)C1 ZINC000359555893 1127467998 /nfs/dbraw/zinc/46/79/98/1127467998.db2.gz LBSGAEGTCMLYDM-GUYCJALGSA-N 0 1 286.375 3.947 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@@H](C)c1cnc(C)nc1C ZINC000359604450 1127469306 /nfs/dbraw/zinc/46/93/06/1127469306.db2.gz WLBLHLVZVQIKFX-NEPJUHHUSA-N 0 1 285.391 3.514 20 0 CHADMN CN(Cc1ccoc1)Cc1ccc(C(F)F)cc1 ZINC000359609126 1127469324 /nfs/dbraw/zinc/46/93/24/1127469324.db2.gz GMKWNFKMTNDULT-UHFFFAOYSA-N 0 1 251.276 3.849 20 0 CHADMN C[C@H](NCc1ccc(F)cc1)c1ccc(Cl)cn1 ZINC000359724213 1127474955 /nfs/dbraw/zinc/47/49/55/1127474955.db2.gz XIEYNRVWNGCJAI-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN CCOc1cccc(CNCc2ccc(C3CC3)cc2)n1 ZINC000359802627 1127478509 /nfs/dbraw/zinc/47/85/09/1127478509.db2.gz MDYMUWULTSHAEW-UHFFFAOYSA-N 0 1 282.387 3.648 20 0 CHADMN COCc1cccc(CN2Cc3ccccc3OC[C@H]2C)c1 ZINC000359863946 1127480914 /nfs/dbraw/zinc/48/09/14/1127480914.db2.gz YOOIZBIMAHUOAD-OAHLLOKOSA-N 0 1 297.398 3.616 20 0 CHADMN CCc1cnc(CN(C)C2CCCCCCC2)o1 ZINC000075677316 1127483732 /nfs/dbraw/zinc/48/37/32/1127483732.db2.gz VDXBZQWAYJZEIR-UHFFFAOYSA-N 0 1 250.386 3.782 20 0 CHADMN CC(C)(C(=O)Nc1ccc2nc[nH]c2c1)c1cccs1 ZINC000359965016 1127484836 /nfs/dbraw/zinc/48/48/36/1127484836.db2.gz ULDDWGZDIFVGBP-UHFFFAOYSA-N 0 1 285.372 3.541 20 0 CHADMN C[C@H](CN[C@@H](C)c1ccc(Cl)cn1)C(F)(F)F ZINC000359972709 1127485377 /nfs/dbraw/zinc/48/53/77/1127485377.db2.gz XEEXEOQXZQOIKJ-SFYZADRCSA-N 0 1 266.694 3.584 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@H+]1CCOCC2(CC2)C1 ZINC000360085467 1127488858 /nfs/dbraw/zinc/48/88/58/1127488858.db2.gz BCELHWLCDVTNQN-LBPRGKRZSA-N 0 1 265.784 3.513 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)N1CCOCC2(CC2)C1 ZINC000360085467 1127488860 /nfs/dbraw/zinc/48/88/60/1127488860.db2.gz BCELHWLCDVTNQN-LBPRGKRZSA-N 0 1 265.784 3.513 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1ccc(C)nc1C ZINC000360150312 1127490894 /nfs/dbraw/zinc/49/08/94/1127490894.db2.gz QPNDZWRDGJEIBL-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN Fc1cc(OC(F)F)ccc1CN[C@@H]1CCCC[C@H]1F ZINC001308816497 1127492908 /nfs/dbraw/zinc/49/29/08/1127492908.db2.gz BGNGWGDLUXCRPN-DGCLKSJQSA-N 0 1 291.288 3.797 20 0 CHADMN CCOc1ccc(C(=O)Nc2cc3cn[nH]c3cc2C)cc1 ZINC000360426971 1127498913 /nfs/dbraw/zinc/49/89/13/1127498913.db2.gz HXEIFTGJBKXNJS-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1cccc(O)c1)[C@@H]2C ZINC000543778875 1127499593 /nfs/dbraw/zinc/49/95/93/1127499593.db2.gz ARNYUXJBSJWIJI-ZIAGYGMSSA-N 0 1 297.398 3.909 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)CSc1ccccc1 ZINC000360440686 1127499683 /nfs/dbraw/zinc/49/96/83/1127499683.db2.gz CHNTYUQBDCBYEG-UHFFFAOYSA-N 0 1 297.383 3.602 20 0 CHADMN Cc1cc(N(C)CCc2ccncc2)c2cc(F)ccc2n1 ZINC000360675349 1127505807 /nfs/dbraw/zinc/50/58/07/1127505807.db2.gz KHONBEXGXFKNHA-UHFFFAOYSA-N 0 1 295.361 3.756 20 0 CHADMN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc2[nH]cnc21 ZINC000360692377 1127506349 /nfs/dbraw/zinc/50/63/49/1127506349.db2.gz ZMBJCAQUQPOARB-CHWSQXEVSA-N 0 1 299.418 3.850 20 0 CHADMN CCc1noc(C)c1CN[C@H]1CCc2ccc(C)cc21 ZINC000293588639 1127507527 /nfs/dbraw/zinc/50/75/27/1127507527.db2.gz COKOZPXWYMBGNG-KRWDZBQOSA-N 0 1 270.376 3.631 20 0 CHADMN CC(C)C[C@@H]1OCCC[C@@H]1NCc1nc(C2CC2)cs1 ZINC000360724609 1127508197 /nfs/dbraw/zinc/50/81/97/1127508197.db2.gz DALFRNXIHXVREU-ZFWWWQNUSA-N 0 1 294.464 3.704 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1cnc([C@@H](C)O)s1 ZINC000293635308 1127509709 /nfs/dbraw/zinc/50/97/09/1127509709.db2.gz LSSHMYGKCYZJNV-GFCCVEGCSA-N 0 1 290.432 3.530 20 0 CHADMN CC[C@H](N[C@H](C)c1ccccn1)c1ccc(C(=O)OC)cc1 ZINC000293661929 1127511603 /nfs/dbraw/zinc/51/16/03/1127511603.db2.gz JHHGQAAXABMUQC-CJNGLKHVSA-N 0 1 298.386 3.670 20 0 CHADMN CCc1noc(C)c1CN[C@@H](CC)c1cccc(F)c1 ZINC000293674588 1127511999 /nfs/dbraw/zinc/51/19/99/1127511999.db2.gz JTLZCFDFKWESBH-HNNXBMFYSA-N 0 1 276.355 3.925 20 0 CHADMN COC(=O)c1ccc(CN[C@@H](C)c2cccc(C3CC3)c2)o1 ZINC000293666227 1127512089 /nfs/dbraw/zinc/51/20/89/1127512089.db2.gz JNHGMDOLHUYOEU-LBPRGKRZSA-N 0 1 299.370 3.794 20 0 CHADMN Cc1nocc1CN[C@@H](c1ccccc1C)C1CC1 ZINC000293719211 1127515223 /nfs/dbraw/zinc/51/52/23/1127515223.db2.gz YISNMVLXCHQVDY-MRXNPFEDSA-N 0 1 256.349 3.532 20 0 CHADMN COC(=O)CCCN([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000360902161 1127519353 /nfs/dbraw/zinc/51/93/53/1127519353.db2.gz VMGLHNFBNWLDQB-LBPRGKRZSA-N 0 1 295.810 3.819 20 0 CHADMN Cc1nnsc1CN[C@H](c1ccc(C)cc1)C1CCC1 ZINC000293808036 1127522053 /nfs/dbraw/zinc/52/20/53/1127522053.db2.gz VLCNSMNULAZCJR-INIZCTEOSA-N 0 1 287.432 3.786 20 0 CHADMN CC[C@@H](NCc1snnc1C)c1ccc(Cl)s1 ZINC000293833549 1127524086 /nfs/dbraw/zinc/52/40/86/1127524086.db2.gz WONYELBVAXLIBV-MRVPVSSYSA-N 0 1 287.841 3.802 20 0 CHADMN C[C@@H](N[C@H]1CCCc2sc(Cl)cc21)c1ccnn1C ZINC000293885950 1127529771 /nfs/dbraw/zinc/52/97/71/1127529771.db2.gz YXUZAZOEKZAUGL-KOLCDFICSA-N 0 1 295.839 3.863 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2CCCO[C@@H]2CC(C)C)cs1 ZINC000360984609 1127526289 /nfs/dbraw/zinc/52/62/89/1127526289.db2.gz FHTCPIBZTKPNGK-NJZAAPMLSA-N 0 1 282.453 3.696 20 0 CHADMN Cc1ccncc1CCCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000293856988 1127526328 /nfs/dbraw/zinc/52/63/28/1127526328.db2.gz IANXJFDRYPRHAK-SFHVURJKSA-N 0 1 295.430 3.801 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCC1CCCCC1 ZINC000228111801 1127528149 /nfs/dbraw/zinc/52/81/49/1127528149.db2.gz OYCBOHIFNVSADI-PMPSAXMXSA-N 0 1 279.424 3.675 20 0 CHADMN CCN(Cc1coc(-c2ccc(C)cc2)n1)C[C@@H](C)OC ZINC000361023548 1127531106 /nfs/dbraw/zinc/53/11/06/1127531106.db2.gz XGOMLMNVTBQSRO-CQSZACIVSA-N 0 1 288.391 3.507 20 0 CHADMN CCN(Cc1nccn1-c1ccccc1)CC(C)(C)C ZINC000361025035 1127531750 /nfs/dbraw/zinc/53/17/50/1127531750.db2.gz HXUPJAKPXUYQCS-UHFFFAOYSA-N 0 1 271.408 3.740 20 0 CHADMN CCCN(Cc1cncs1)[C@H]1CCCc2cccnc21 ZINC000361039226 1127532300 /nfs/dbraw/zinc/53/23/00/1127532300.db2.gz XCHKXUIZCQPNGN-HNNXBMFYSA-N 0 1 287.432 3.828 20 0 CHADMN CC(C)c1cnc(CN2CCCC[C@H](C)C2)s1 ZINC000361053235 1127534000 /nfs/dbraw/zinc/53/40/00/1127534000.db2.gz LMKAZYQXECDVNT-LBPRGKRZSA-N 0 1 252.427 3.889 20 0 CHADMN COC(=O)c1coc(CN[C@@H]2CCCc3c(C)cccc32)c1 ZINC000597239908 1127535882 /nfs/dbraw/zinc/53/58/82/1127535882.db2.gz NQDVPQRUSPUGJB-QGZVFWFLSA-N 0 1 299.370 3.542 20 0 CHADMN CC1=C(C)CN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000361114022 1127539258 /nfs/dbraw/zinc/53/92/58/1127539258.db2.gz PZQPDPMKWRYGBS-UHFFFAOYSA-N 0 1 285.416 3.747 20 0 CHADMN Cc1ccoc1C[N@@H+]1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000361138345 1127540632 /nfs/dbraw/zinc/54/06/32/1127540632.db2.gz AUMLLKLLNRXIFV-GHMZBOCLSA-N 0 1 261.287 3.751 20 0 CHADMN Cc1ccoc1CN1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000361138345 1127540634 /nfs/dbraw/zinc/54/06/34/1127540634.db2.gz AUMLLKLLNRXIFV-GHMZBOCLSA-N 0 1 261.287 3.751 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000361109825 1127538250 /nfs/dbraw/zinc/53/82/50/1127538250.db2.gz FPXOVOXOCUURQY-JEWRLFTDSA-N 0 1 285.497 3.600 20 0 CHADMN CC[C@H](NCc1cccc(CO)c1)c1ccc(F)cc1F ZINC000361184477 1127545518 /nfs/dbraw/zinc/54/55/18/1127545518.db2.gz QUWDSVSVDMODBQ-KRWDZBQOSA-N 0 1 291.341 3.698 20 0 CHADMN CCc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCC2)o1 ZINC000294069443 1127547124 /nfs/dbraw/zinc/54/71/24/1127547124.db2.gz YITUBCRJQWWEOS-SFHVURJKSA-N 0 1 299.414 3.836 20 0 CHADMN Cc1nc([C@H](C)NCCSC(F)(F)F)c(C)s1 ZINC000228321015 1127548455 /nfs/dbraw/zinc/54/84/55/1127548455.db2.gz HKVKCPNMBRAUIZ-LURJTMIESA-N 0 1 284.372 3.664 20 0 CHADMN CCCCN(C(=O)c1cnc(C)[nH]1)[C@H]1CCC[C@@H](C)C1 ZINC000294130352 1127551674 /nfs/dbraw/zinc/55/16/74/1127551674.db2.gz KWILVYMWKZHMIC-OCCSQVGLSA-N 0 1 277.412 3.539 20 0 CHADMN C[C@H]1CCCN(Cc2cncc(C(F)(F)F)c2)CC1 ZINC000361289269 1127553482 /nfs/dbraw/zinc/55/34/82/1127553482.db2.gz PZUCFSZWIATAHI-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN CCc1ccc([C@H](COC)N[C@@H]2C[C@@H]2c2ccccc2)o1 ZINC000361339071 1127557795 /nfs/dbraw/zinc/55/77/95/1127557795.db2.gz KINJTLUKQCWRTC-ZACQAIPSSA-N 0 1 285.387 3.675 20 0 CHADMN Fc1ccc2c(c1)CN([C@H]1C[C@@H]1c1ccccc1)CCO2 ZINC000361392939 1127561038 /nfs/dbraw/zinc/56/10/38/1127561038.db2.gz VFKCEQASYACLFB-SJORKVTESA-N 0 1 283.346 3.576 20 0 CHADMN COC(=O)c1sccc1CN(C)[C@H]1CCC(C)(C)C1 ZINC000361470563 1127565792 /nfs/dbraw/zinc/56/57/92/1127565792.db2.gz OKMNQYDSSUGGKG-LBPRGKRZSA-N 0 1 281.421 3.545 20 0 CHADMN C[C@H]1CCC[C@@H]([N@@H+](C)Cc2nccn2-c2ccccc2)C1 ZINC000361509344 1127568040 /nfs/dbraw/zinc/56/80/40/1127568040.db2.gz UNXIPCKKUVYBHR-DOTOQJQBSA-N 0 1 283.419 3.883 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)Cc2nccn2-c2ccccc2)C1 ZINC000361509344 1127568042 /nfs/dbraw/zinc/56/80/42/1127568042.db2.gz UNXIPCKKUVYBHR-DOTOQJQBSA-N 0 1 283.419 3.883 20 0 CHADMN CC(C)N(C)c1ccc(CN2CC[C@@H]2c2ccccc2)cn1 ZINC000361511587 1127569295 /nfs/dbraw/zinc/56/92/95/1127569295.db2.gz TZAJGYUANFINNQ-GOSISDBHSA-N 0 1 295.430 3.873 20 0 CHADMN CC[N@H+](Cc1c(C)cc(C)c(C(C)=O)c1C)C[C@H](C)OC ZINC000361564918 1127572460 /nfs/dbraw/zinc/57/24/60/1127572460.db2.gz NOGNALQGZXMVSX-AWEZNQCLSA-N 0 1 291.435 3.671 20 0 CHADMN CC[N@H+](Cc1c(C)cc(C)c(C(C)=O)c1C)C[C@@H](C)OC ZINC000361564919 1127572821 /nfs/dbraw/zinc/57/28/21/1127572821.db2.gz NOGNALQGZXMVSX-CQSZACIVSA-N 0 1 291.435 3.671 20 0 CHADMN CCCc1ccc(CNCc2cn3c(cccc3C)n2)cc1 ZINC000598038142 1127577112 /nfs/dbraw/zinc/57/71/12/1127577112.db2.gz XJMBKAFZAJNBBR-UHFFFAOYSA-N 0 1 293.414 3.885 20 0 CHADMN COCCN(Cc1csc(C(C)C)n1)[C@H]1CC[C@H](C)C1 ZINC000361646090 1127578948 /nfs/dbraw/zinc/57/89/48/1127578948.db2.gz UNTWBPLYXWDYLR-ZFWWWQNUSA-N 0 1 296.480 3.904 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)cn1 ZINC000361663529 1127579935 /nfs/dbraw/zinc/57/99/35/1127579935.db2.gz UITGXFKBNHJFCK-ZDUSSCGKSA-N 0 1 286.341 3.800 20 0 CHADMN CCCN(Cc1ncccn1)[C@H](CC)c1ccccc1 ZINC000361711514 1127583812 /nfs/dbraw/zinc/58/38/12/1127583812.db2.gz JQXOOCXUOKZQCD-MRXNPFEDSA-N 0 1 269.392 3.840 20 0 CHADMN Cc1ccc([C@@H](C)NCc2nc3ccc(C)cc3[nH]2)o1 ZINC000361803556 1127589826 /nfs/dbraw/zinc/58/98/26/1127589826.db2.gz HBBHHUJWRCAFNG-GFCCVEGCSA-N 0 1 269.348 3.624 20 0 CHADMN CC(F)(F)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000294694405 1127592338 /nfs/dbraw/zinc/59/23/38/1127592338.db2.gz VUHBWBKJHCZZEO-VIFPVBQESA-N 0 1 299.214 3.591 20 0 CHADMN CCn1cc([C@H](C)NCc2cc(F)cc(Cl)c2)cn1 ZINC000294726230 1127594654 /nfs/dbraw/zinc/59/46/54/1127594654.db2.gz BFIASTKINMMSHU-JTQLQIEISA-N 0 1 281.762 3.546 20 0 CHADMN Cc1nn(C(C)C)cc1CNCc1nccc2ccccc21 ZINC000361887106 1127597110 /nfs/dbraw/zinc/59/71/10/1127597110.db2.gz CJQYZULUUIQWBM-UHFFFAOYSA-N 0 1 294.402 3.610 20 0 CHADMN CS[C@@H]1CC[C@@H]1N[C@H](C)c1c(F)cccc1F ZINC000361943937 1127600878 /nfs/dbraw/zinc/60/08/78/1127600878.db2.gz FANRZVIYBUEYLQ-JFUSQASVSA-N 0 1 257.349 3.509 20 0 CHADMN CS[C@@H](CNCc1nc2ccccc2o1)C(C)(C)C ZINC000602606412 1127598686 /nfs/dbraw/zinc/59/86/86/1127598686.db2.gz FFPJCPKAOGEGTN-ZDUSSCGKSA-N 0 1 278.421 3.695 20 0 CHADMN CC[C@H]1CCCN1Cc1nnc(-c2ccccc2)s1 ZINC000361919898 1127599210 /nfs/dbraw/zinc/59/92/10/1127599210.db2.gz PJEKMXSWOFOPAA-ZDUSSCGKSA-N 0 1 273.405 3.580 20 0 CHADMN FC(F)Cn1cc(CN2CCC[C@@H]2c2cccs2)cn1 ZINC000294884667 1127606089 /nfs/dbraw/zinc/60/60/89/1127606089.db2.gz LDTMTBHNCKBLCS-GFCCVEGCSA-N 0 1 297.374 3.547 20 0 CHADMN COC[C@@H](CC(C)C)NCc1csc(-c2ccco2)n1 ZINC000362077574 1127610119 /nfs/dbraw/zinc/61/01/19/1127610119.db2.gz NXHXVTIXBGRLLL-GFCCVEGCSA-N 0 1 294.420 3.554 20 0 CHADMN CCCCC[C@H](C)NCc1ncc(C(F)(F)F)cn1 ZINC000294969060 1127610721 /nfs/dbraw/zinc/61/07/21/1127610721.db2.gz IWTWGDPYOZLVSQ-JTQLQIEISA-N 0 1 275.318 3.554 20 0 CHADMN CCCc1cc(C(=O)N(C)[C@H](c2ccccc2)C(C)C)n[nH]1 ZINC000602805763 1127615495 /nfs/dbraw/zinc/61/54/95/1127615495.db2.gz BPGSNDHLOAXZHC-KRWDZBQOSA-N 0 1 299.418 3.832 20 0 CHADMN FC(F)(F)c1cnc(CN[C@@H]2CCC[C@H](C3CC3)C2)nc1 ZINC000294990114 1127612761 /nfs/dbraw/zinc/61/27/61/1127612761.db2.gz KNHOTIXZUXDNJI-WCQYABFASA-N 0 1 299.340 3.554 20 0 CHADMN CCC[C@@H](NCc1ccc(F)cn1)c1ccc(OC)cc1 ZINC000362127554 1127613643 /nfs/dbraw/zinc/61/36/43/1127613643.db2.gz ZVXRQTXSZZDADP-QGZVFWFLSA-N 0 1 288.366 3.860 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CCC(CF)CC1 ZINC000295017353 1127614180 /nfs/dbraw/zinc/61/41/80/1127614180.db2.gz QCTOPZSQTXAVLW-UHFFFAOYSA-N 0 1 292.329 3.568 20 0 CHADMN c1cc(C[N@H+]2C[C@H]3CCCC[C@]32c2ccccc2)on1 ZINC000362200812 1127618808 /nfs/dbraw/zinc/61/88/08/1127618808.db2.gz TZQFCKGCJNUSJK-WBVHZDCISA-N 0 1 268.360 3.576 20 0 CHADMN c1cc(CN2C[C@H]3CCCC[C@]32c2ccccc2)on1 ZINC000362200812 1127618810 /nfs/dbraw/zinc/61/88/10/1127618810.db2.gz TZQFCKGCJNUSJK-WBVHZDCISA-N 0 1 268.360 3.576 20 0 CHADMN CS[C@H]1CCN(Cc2ccc(CSC(F)F)o2)C1 ZINC000295100816 1127620230 /nfs/dbraw/zinc/62/02/30/1127620230.db2.gz STOQACDASDQCBZ-NSHDSACASA-N 0 1 293.404 3.673 20 0 CHADMN C[C@H](c1ccccc1)N(Cc1cnns1)CC1CCC1 ZINC000295115262 1127621267 /nfs/dbraw/zinc/62/12/67/1127621267.db2.gz VXENAZZNRIMXHD-CYBMUJFWSA-N 0 1 287.432 3.901 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000295145215 1127623683 /nfs/dbraw/zinc/62/36/83/1127623683.db2.gz CAWVDMJLMHVXRU-ZQIUZPCESA-N 0 1 283.419 3.796 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]1C1CCCCC1)c1nccs1 ZINC000362301998 1127625971 /nfs/dbraw/zinc/62/59/71/1127625971.db2.gz ADHFIEFTKJRDKJ-WCFLWFBJSA-N 0 1 250.411 3.763 20 0 CHADMN CCn1ccnc1[C@H](C)NCc1cc2ccccc2s1 ZINC000295249219 1127629857 /nfs/dbraw/zinc/62/98/57/1127629857.db2.gz QDCHRFVYHJUOQA-LBPRGKRZSA-N 0 1 285.416 3.969 20 0 CHADMN COCCSCCCN[C@H](C(F)F)C1CCCCC1 ZINC000598650283 1127630537 /nfs/dbraw/zinc/63/05/37/1127630537.db2.gz MBRWMKJIWZZPLC-ZDUSSCGKSA-N 0 1 295.439 3.560 20 0 CHADMN Cc1ccc([C@H](N[C@@H]2C[C@H](C)n3ccnc32)C2CC2)cc1 ZINC000295301104 1127633181 /nfs/dbraw/zinc/63/31/81/1127633181.db2.gz VCJKVSZYEWYYQE-XKQJLSEDSA-N 0 1 281.403 3.938 20 0 CHADMN c1csc([C@H]2CCCN2Cc2cnsc2)c1 ZINC001232227914 1127641642 /nfs/dbraw/zinc/64/16/42/1127641642.db2.gz VIQUEKWDGVPUAM-LLVKDONJSA-N 0 1 250.392 3.542 20 0 CHADMN COc1cccc2cc(CNCc3ccc(C#N)cc3)oc21 ZINC000061079234 1127645381 /nfs/dbraw/zinc/64/53/81/1127645381.db2.gz WQAWIYZPEDVUGK-UHFFFAOYSA-N 0 1 292.338 3.603 20 0 CHADMN CC[C@H](CNCc1ncc(C)s1)Oc1cccc(F)c1 ZINC000295586118 1127646979 /nfs/dbraw/zinc/64/69/79/1127646979.db2.gz DXFMCZJKQYFUNO-CYBMUJFWSA-N 0 1 294.395 3.538 20 0 CHADMN Cc1cccc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)c1F ZINC000295598866 1127647353 /nfs/dbraw/zinc/64/73/53/1127647353.db2.gz CPWRWYOVAMCHFI-GXTWGEPZSA-N 0 1 269.310 3.611 20 0 CHADMN Cc1cc(CNC2(c3cccc(F)c3)CC2)cs1 ZINC000295667738 1127649702 /nfs/dbraw/zinc/64/97/02/1127649702.db2.gz JVXQSVSHYYCGFW-UHFFFAOYSA-N 0 1 261.365 3.975 20 0 CHADMN COc1cccc(CN[C@@H]2c3ccccc3C[C@@H]2C)c1F ZINC000669682025 1127650508 /nfs/dbraw/zinc/65/05/08/1127650508.db2.gz LOJWNVIVTLHYIK-SGTLLEGYSA-N 0 1 285.362 3.857 20 0 CHADMN COc1cccc(CNC(C)(C)CC(F)(F)F)c1F ZINC000669684599 1127651946 /nfs/dbraw/zinc/65/19/46/1127651946.db2.gz WIPSDAWRGMTLJN-UHFFFAOYSA-N 0 1 279.277 3.655 20 0 CHADMN Cc1cnccc1CNC1(c2cccc(Cl)c2)CC1 ZINC000295769932 1127652092 /nfs/dbraw/zinc/65/20/92/1127652092.db2.gz QTMVFVXPHQBYIZ-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN Fc1ccc2c(c1)nccc2NCc1ccc2c(c1)CCO2 ZINC000603493872 1127654506 /nfs/dbraw/zinc/65/45/06/1127654506.db2.gz CJBZNVODLAHZRB-UHFFFAOYSA-N 0 1 294.329 3.921 20 0 CHADMN CO[C@@H]1CCN([C@H](C)c2ccc(F)cc2F)CC1(C)C ZINC000295978809 1127658827 /nfs/dbraw/zinc/65/88/27/1127658827.db2.gz KWDUMLAMXPFDGL-IAQYHMDHSA-N 0 1 283.362 3.773 20 0 CHADMN Cc1cccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1F ZINC000295970529 1127658841 /nfs/dbraw/zinc/65/88/41/1127658841.db2.gz INPPCNJRIQMZAW-KRWDZBQOSA-N 0 1 289.394 3.525 20 0 CHADMN Cc1cccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1F ZINC000295970534 1127658987 /nfs/dbraw/zinc/65/89/87/1127658987.db2.gz INPPCNJRIQMZAW-QGZVFWFLSA-N 0 1 289.394 3.525 20 0 CHADMN Cc1cc(CN[C@H](CCO)c2ccc(Cl)cc2)cs1 ZINC000296035755 1127660967 /nfs/dbraw/zinc/66/09/67/1127660967.db2.gz NPFSCUJYWMLNNF-OAHLLOKOSA-N 0 1 295.835 3.923 20 0 CHADMN Cc1cc(CN[C@@H](CCO)c2ccc(Cl)cc2)cs1 ZINC000296035754 1127661130 /nfs/dbraw/zinc/66/11/30/1127661130.db2.gz NPFSCUJYWMLNNF-HNNXBMFYSA-N 0 1 295.835 3.923 20 0 CHADMN Cc1ncc(CN[C@@H]2CCCc3c(F)cc(F)cc32)s1 ZINC000296091458 1127662604 /nfs/dbraw/zinc/66/26/04/1127662604.db2.gz RGEPVFSIIMBQFK-OAHLLOKOSA-N 0 1 294.370 3.897 20 0 CHADMN CC(C)[C@H](NCc1cnns1)c1ccc(Cl)cc1 ZINC000296259790 1127666991 /nfs/dbraw/zinc/66/69/91/1127666991.db2.gz GEAHSGWLOIRKKV-ZDUSSCGKSA-N 0 1 281.812 3.678 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1CN[C@H](c1ncc[nH]1)c1cccnc1 ZINC000296304610 1127667996 /nfs/dbraw/zinc/66/79/96/1127667996.db2.gz GBLZWKKESNMHFD-INMHGKMJSA-N 0 1 298.434 3.700 20 0 CHADMN CCCCc1ccc([C@@H](C)NCc2n[nH]c(C3CC3)n2)cc1 ZINC000296329277 1127668610 /nfs/dbraw/zinc/66/86/10/1127668610.db2.gz HEKRWECBHQWRGJ-CYBMUJFWSA-N 0 1 298.434 3.876 20 0 CHADMN Cc1cccnc1CCN[C@H](C)c1csc(C(C)C)n1 ZINC000296317009 1127668755 /nfs/dbraw/zinc/66/87/55/1127668755.db2.gz GRAAFLADOJLUME-CYBMUJFWSA-N 0 1 289.448 3.863 20 0 CHADMN CCC[C@@H]1CCC[C@H]1NCc1ncc(C(F)(F)F)cn1 ZINC000296409761 1127671114 /nfs/dbraw/zinc/67/11/14/1127671114.db2.gz KURGMUONVYZYTI-ZYHUDNBSSA-N 0 1 287.329 3.554 20 0 CHADMN CCC[C@@H](OC)c1noc(-c2cc(-c3ccccc3)n[nH]2)n1 ZINC000296415834 1127671798 /nfs/dbraw/zinc/67/17/98/1127671798.db2.gz LEDQBAWVYFFWQB-CQSZACIVSA-N 0 1 298.346 3.614 20 0 CHADMN C[C@@H]1C[C@H](NCc2nc3cc(Cl)ccc3s2)[C@H](C)O1 ZINC000296426394 1127671848 /nfs/dbraw/zinc/67/18/48/1127671848.db2.gz MXMUJTHTGOPTRZ-YWVKMMECSA-N 0 1 296.823 3.605 20 0 CHADMN Cc1cc(CNCc2ccc(OC(C)C)nc2)cs1 ZINC000296564039 1127676052 /nfs/dbraw/zinc/67/60/52/1127676052.db2.gz VLTPRKPZTFZTFQ-UHFFFAOYSA-N 0 1 276.405 3.529 20 0 CHADMN CC(C)CC[C@H](NCc1n[nH]c(C2CC2)n1)c1ccoc1 ZINC000296655961 1127680957 /nfs/dbraw/zinc/68/09/57/1127680957.db2.gz ZIAZQQPSMBCYIZ-AWEZNQCLSA-N 0 1 288.395 3.542 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(Cl)cn2)cs1 ZINC000296694496 1127681983 /nfs/dbraw/zinc/68/19/83/1127681983.db2.gz HHFUORAPWFZJMB-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCCc3c[nH]nc32)cs1 ZINC000296840247 1127684151 /nfs/dbraw/zinc/68/41/51/1127684151.db2.gz MWLLHDFMOSLCTG-GXFFZTMASA-N 0 1 261.394 3.508 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cn2ccccc2n1 ZINC000603942493 1127683804 /nfs/dbraw/zinc/68/38/04/1127683804.db2.gz SFBDARZRXISYRW-GOSISDBHSA-N 0 1 291.398 3.844 20 0 CHADMN CC[C@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1ccsc1 ZINC000296641991 1127680324 /nfs/dbraw/zinc/68/03/24/1127680324.db2.gz CXBBVVHTOQMSPB-JQWIXIFHSA-N 0 1 278.425 3.792 20 0 CHADMN C[C@@H]1C[C@@H](N2CCC(Cc3ccccc3)CC2)c2nccn21 ZINC000296865682 1127684722 /nfs/dbraw/zinc/68/47/22/1127684722.db2.gz NSNQLERIMLACNK-CRAIPNDOSA-N 0 1 295.430 3.844 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000296939434 1127686395 /nfs/dbraw/zinc/68/63/95/1127686395.db2.gz QIDIIZJSQGDTED-CZUORRHYSA-N 0 1 283.419 3.976 20 0 CHADMN Cc1cc(C(C#N)C(=O)CCCC2CCCC2)nc(C)n1 ZINC000076822501 1127688735 /nfs/dbraw/zinc/68/87/35/1127688735.db2.gz SSEGAUZRNDLZAJ-HNNXBMFYSA-N 0 1 285.391 3.630 20 0 CHADMN Cc1cccc2nc(C[N@@H+]3CCC[C@@H](C(C)C)CC3)cn21 ZINC000604055131 1127692079 /nfs/dbraw/zinc/69/20/79/1127692079.db2.gz KJJFONSSXHQGKT-MRXNPFEDSA-N 0 1 285.435 3.901 20 0 CHADMN Cc1nnc(CN(C)[C@@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000297482422 1127697539 /nfs/dbraw/zinc/69/75/39/1127697539.db2.gz JTGJNFKZQQSBOV-HUUCEWRRSA-N 0 1 287.432 3.615 20 0 CHADMN C[C@H](CN[C@H]1C[C@H](C)n2ccnc21)Sc1ccccc1 ZINC000297524144 1127698617 /nfs/dbraw/zinc/69/86/17/1127698617.db2.gz DFGKTBHRVZYDCW-GUTXKFCHSA-N 0 1 287.432 3.659 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H](C)c1ccc(C)c(C)c1 ZINC000297523987 1127698711 /nfs/dbraw/zinc/69/87/11/1127698711.db2.gz DDQVJHQUBKNBKY-HUUCEWRRSA-N 0 1 271.408 3.932 20 0 CHADMN Cc1ccccc1[C@@]1(F)CCN(Cc2ccc(O)cc2)C1 ZINC000669717589 1127709433 /nfs/dbraw/zinc/70/94/33/1127709433.db2.gz HTVZYYNHMXTHHF-GOSISDBHSA-N 0 1 285.362 3.771 20 0 CHADMN CCn1ccnc1[C@H](C)NC[C@H](C)Sc1ccccc1 ZINC000297861510 1127710264 /nfs/dbraw/zinc/71/02/64/1127710264.db2.gz UBPKBFKQHSTZOG-KBPBESRZSA-N 0 1 289.448 3.734 20 0 CHADMN c1csc(-c2noc(CN3CCCCCCC3)n2)c1 ZINC000061758365 1127716275 /nfs/dbraw/zinc/71/62/75/1127716275.db2.gz NRCKVXRJAOWIAJ-UHFFFAOYSA-N 0 1 277.393 3.564 20 0 CHADMN CCOC1(C)CCN([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000298226135 1127717219 /nfs/dbraw/zinc/71/72/19/1127717219.db2.gz GSFZFQALFDGDGV-ZDUSSCGKSA-N 0 1 288.391 3.780 20 0 CHADMN COc1c(CN2CC[C@@H]2C)cccc1OCc1ccccc1 ZINC001238747549 1131240788 /nfs/dbraw/zinc/24/07/88/1131240788.db2.gz YCRIHDVUAOMEFM-HNNXBMFYSA-N 0 1 297.398 3.868 20 0 CHADMN CCOC1(C)CCN([C@H](C)c2c(F)cccc2F)CC1 ZINC000298367418 1127720870 /nfs/dbraw/zinc/72/08/70/1127720870.db2.gz UTJKCQFGGSMYRU-GFCCVEGCSA-N 0 1 283.362 3.917 20 0 CHADMN CCCn1cc(CNC2(c3ccc(F)cc3)CCC2)cn1 ZINC000604891644 1127721680 /nfs/dbraw/zinc/72/16/80/1127721680.db2.gz HKJSNUBDAHLAHW-UHFFFAOYSA-N 0 1 287.382 3.601 20 0 CHADMN CCCN(CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000298735310 1127730767 /nfs/dbraw/zinc/73/07/67/1127730767.db2.gz URMQAALLDYFLMC-UHFFFAOYSA-N 0 1 289.206 3.664 20 0 CHADMN Cc1ccc([C@H]2CCCCCN2Cc2ccno2)o1 ZINC000365483245 1127729992 /nfs/dbraw/zinc/72/99/92/1127729992.db2.gz TVMCCPXHHQJKCE-CQSZACIVSA-N 0 1 260.337 3.693 20 0 CHADMN C[C@H]1SCCN(CCSc2ccccc2F)[C@@H]1C ZINC000605317140 1127734525 /nfs/dbraw/zinc/73/45/25/1127734525.db2.gz WBZSAHHZPNXMIR-VXGBXAGGSA-N 0 1 285.453 3.744 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cn3cccnc3n2)c(C)c1 ZINC000299031915 1127738940 /nfs/dbraw/zinc/73/89/40/1127738940.db2.gz QOXORTIRILYCHO-OAHLLOKOSA-N 0 1 294.402 3.539 20 0 CHADMN COc1ccc2c(c1)OCC[C@@H]2N[C@@H](C)c1ccsc1 ZINC000366226516 1127744486 /nfs/dbraw/zinc/74/44/86/1127744486.db2.gz BDAMVSUSZYUYBI-NHYWBVRUSA-N 0 1 289.400 3.931 20 0 CHADMN CO[C@]1(C)CCC[N@@H+](Cc2ncc(C(C)C)s2)CC1 ZINC000366274480 1127745064 /nfs/dbraw/zinc/74/50/64/1127745064.db2.gz UUVBUMHBYDXOKG-OAHLLOKOSA-N 0 1 282.453 3.658 20 0 CHADMN CO[C@]1(C)CCCN(Cc2ncc(C(C)C)s2)CC1 ZINC000366274480 1127745066 /nfs/dbraw/zinc/74/50/66/1127745066.db2.gz UUVBUMHBYDXOKG-OAHLLOKOSA-N 0 1 282.453 3.658 20 0 CHADMN C[C@@H](C(=O)Nc1cccc(Cl)c1O)C(C)(C)C ZINC000605888113 1127747335 /nfs/dbraw/zinc/74/73/35/1127747335.db2.gz KWZPTAOJCYDSCZ-QMMMGPOBSA-N 0 1 255.745 3.666 20 0 CHADMN Cc1c(Br)cncc1CN1CCC[C@@H](C)[C@H]1C ZINC001232532031 1127748267 /nfs/dbraw/zinc/74/82/67/1127748267.db2.gz AOQGPJOGXZVMLK-ZYHUDNBSSA-N 0 1 297.240 3.773 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@H]2C[C@H]21)c1noc(-c2ccccc2)n1 ZINC000367194621 1127751105 /nfs/dbraw/zinc/75/11/05/1127751105.db2.gz ZWQNDQMFBQMRKO-SPWCGHHHSA-N 0 1 283.375 3.576 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCC([C@H]2CCOC2)CC1 ZINC000368271365 1127757612 /nfs/dbraw/zinc/75/76/12/1127757612.db2.gz HPPXPQFQRHBMNU-DOMZBBRYSA-N 0 1 295.373 3.774 20 0 CHADMN CC1(C(=O)Nc2cccc3c2CN(C2CC2)C3)CCCC1 ZINC000368815557 1127758747 /nfs/dbraw/zinc/75/87/47/1127758747.db2.gz DWZLLEAGPAEUME-UHFFFAOYSA-N 0 1 284.403 3.683 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1[nH]nc2ccccc21 ZINC000606377838 1127761261 /nfs/dbraw/zinc/76/12/61/1127761261.db2.gz KUIDOSQECKHLHT-IUODEOHRSA-N 0 1 285.391 3.604 20 0 CHADMN CCN(Cc1sccc1Br)C1CCC1 ZINC000606434727 1127762951 /nfs/dbraw/zinc/76/29/51/1127762951.db2.gz RRSNSVUJMJRUAT-UHFFFAOYSA-N 0 1 274.227 3.885 20 0 CHADMN C[C@H]1c2c(F)cccc2CCN1CCOc1ccccc1 ZINC000606450243 1127764431 /nfs/dbraw/zinc/76/44/31/1127764431.db2.gz SPEPPBXGEJHVFA-AWEZNQCLSA-N 0 1 285.362 3.824 20 0 CHADMN CC(C)(C)c1cnc(CN2CC[C@@H](C(C)(C)C)C2)o1 ZINC000409445913 1127770433 /nfs/dbraw/zinc/77/04/33/1127770433.db2.gz GTUAOBFZCJYRRO-GFCCVEGCSA-N 0 1 264.413 3.840 20 0 CHADMN CCCCc1noc(CN2CCCCC[C@@H]2CC)n1 ZINC000409445934 1127770715 /nfs/dbraw/zinc/77/07/15/1127770715.db2.gz PUZXKVXFGMBXHW-ZDUSSCGKSA-N 0 1 265.401 3.567 20 0 CHADMN CCN(Cc1ncc(C(C)(C)C)o1)C1CCCC1 ZINC000409445139 1127770772 /nfs/dbraw/zinc/77/07/72/1127770772.db2.gz OFHASMKSEHXVIM-UHFFFAOYSA-N 0 1 250.386 3.737 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2ncc(C(C)(C)C)o2)C1 ZINC000409445944 1127770812 /nfs/dbraw/zinc/77/08/12/1127770812.db2.gz CUUNSZUPUNPLOA-UPJWGTAASA-N 0 1 264.413 3.839 20 0 CHADMN C[C@@H]1CC[C@]2(CCN(Cc3nnc(-c4ccccc4)o3)C2)C1 ZINC000371619186 1127772720 /nfs/dbraw/zinc/77/27/20/1127772720.db2.gz PAKYNUPAAVRWEI-KDOFPFPSSA-N 0 1 297.402 3.749 20 0 CHADMN CCC(C)(C)C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000371552643 1127771287 /nfs/dbraw/zinc/77/12/87/1127771287.db2.gz KIIVIQSSFNTBTQ-UHFFFAOYSA-N 0 1 272.392 3.539 20 0 CHADMN Cc1ccc(-c2nc(CN3C[C@@H](C)C[C@H]3C)cs2)o1 ZINC000607154385 1127791326 /nfs/dbraw/zinc/79/13/26/1127791326.db2.gz UCDIVXAFYGIGPB-WDEREUQCSA-N 0 1 276.405 3.942 20 0 CHADMN c1ccc2c(c1)n[nH]c2CNc1ccccc1OCC1CC1 ZINC000607168832 1127793908 /nfs/dbraw/zinc/79/39/08/1127793908.db2.gz NVGHDZBJRZSYFX-UHFFFAOYSA-N 0 1 293.370 3.964 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1C[C@@H](C)C[C@H]1C ZINC000607155503 1127796516 /nfs/dbraw/zinc/79/65/16/1127796516.db2.gz IBCCKNXGZDMNSP-WDEREUQCSA-N 0 1 276.405 3.942 20 0 CHADMN CCc1nc(CN[C@H](C)Cc2ccccc2Cl)co1 ZINC001326623901 1127808576 /nfs/dbraw/zinc/80/85/76/1127808576.db2.gz VOOUTWGNODVCOX-LLVKDONJSA-N 0 1 278.783 3.611 20 0 CHADMN Clc1scc(CN[C@H]2CCO[C@@H]2C2CC2)c1Cl ZINC000372888739 1127817363 /nfs/dbraw/zinc/81/73/63/1127817363.db2.gz DMUPACHXIPFTOI-GXSJLCMTSA-N 0 1 292.231 3.712 20 0 CHADMN Cc1noc([C@H](C)N2CC[C@@H](c3ccccc3)[C@H](C)C2)n1 ZINC000607752135 1127825041 /nfs/dbraw/zinc/82/50/41/1127825041.db2.gz JOGJOSQXZKSXGA-DVOMOZLQSA-N 0 1 285.391 3.565 20 0 CHADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000607735554 1127821303 /nfs/dbraw/zinc/82/13/03/1127821303.db2.gz MFOFFTVRBGQHQZ-VXGBXAGGSA-N 0 1 274.339 3.711 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1ccn(-c2cccc(F)c2)n1 ZINC000607740833 1127822277 /nfs/dbraw/zinc/82/22/77/1127822277.db2.gz YFNJULVKXZAGPI-UONOGXRCSA-N 0 1 287.382 3.632 20 0 CHADMN C[C@@H]1CCC[C@H](C)N(Cc2nc(-c3cccs3)no2)C1 ZINC000607742618 1127822599 /nfs/dbraw/zinc/82/25/99/1127822599.db2.gz WIAJUTXKYKAHIO-NEPJUHHUSA-N 0 1 291.420 3.809 20 0 CHADMN C[C@@H]1CCC[C@H](C)N(Cc2ncc(C(C)(C)C)o2)C1 ZINC000607742812 1127823097 /nfs/dbraw/zinc/82/30/97/1127823097.db2.gz PLQILJODORURJM-OLZOCXBDSA-N 0 1 264.413 3.983 20 0 CHADMN C[C@@H]1CCCN(Cc2ccn(-c3cccc(F)c3)n2)[C@@H]1C ZINC000607740834 1127823296 /nfs/dbraw/zinc/82/32/96/1127823296.db2.gz YFNJULVKXZAGPI-ZIAGYGMSSA-N 0 1 287.382 3.632 20 0 CHADMN CC[C@H](c1ccccc1)[C@H]1CCCN1Cc1nncs1 ZINC000929413345 1127833557 /nfs/dbraw/zinc/83/35/57/1127833557.db2.gz XVNAHCYPTQSNBO-HUUCEWRRSA-N 0 1 287.432 3.696 20 0 CHADMN Cc1nc([C@H](C)N2CCC(CCc3ccccc3)CC2)n[nH]1 ZINC000411137639 1127842285 /nfs/dbraw/zinc/84/22/85/1127842285.db2.gz PEZOPOFQSBDBOB-AWEZNQCLSA-N 0 1 298.434 3.519 20 0 CHADMN Cc1cnc([C@H](NCc2ccc3c[nH]nc3c2)C2CC2)s1 ZINC000608062294 1127842903 /nfs/dbraw/zinc/84/29/03/1127842903.db2.gz BOWLORIIYDLESF-OAHLLOKOSA-N 0 1 298.415 3.569 20 0 CHADMN Fc1ccc(CN2CC[C@H](C3CC3)C2)c(Br)c1 ZINC000400035946 1127844267 /nfs/dbraw/zinc/84/42/67/1127844267.db2.gz KZVDNHMTPSTTPR-NSHDSACASA-N 0 1 298.199 3.820 20 0 CHADMN Cc1ncc(CN(C)[C@H]2C[C@H]2c2cccc(F)c2)s1 ZINC000411170933 1127844499 /nfs/dbraw/zinc/84/44/99/1127844499.db2.gz HMEMJZRAUUGHTA-GJZGRUSLSA-N 0 1 276.380 3.579 20 0 CHADMN Cc1csc([C@@H](C)NCCOc2cccc(Cl)c2)n1 ZINC000411522189 1127863913 /nfs/dbraw/zinc/86/39/13/1127863913.db2.gz VSFMHSDMIJXWMS-LLVKDONJSA-N 0 1 296.823 3.835 20 0 CHADMN c1coc([C@H]2CCN(Cc3ncc(-c4ccccc4)o3)C2)c1 ZINC000374004507 1127869247 /nfs/dbraw/zinc/86/92/47/1127869247.db2.gz XQMYYBFFTJCDFE-HNNXBMFYSA-N 0 1 294.354 3.924 20 0 CHADMN CCc1cnc(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)o1 ZINC000608492326 1127870276 /nfs/dbraw/zinc/87/02/76/1127870276.db2.gz LAANPGFGJQMDMN-AEGPPILISA-N 0 1 262.397 3.638 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2nccn2C(C)C)C1 ZINC000374009326 1127870558 /nfs/dbraw/zinc/87/05/58/1127870558.db2.gz AVFGQAVCASYHNU-CQSZACIVSA-N 0 1 281.469 3.572 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCCCC2CCOCC2)no1 ZINC000374101496 1127873703 /nfs/dbraw/zinc/87/37/03/1127873703.db2.gz ZIFAEZRKRPIDQS-KRWDZBQOSA-N 0 1 292.423 3.717 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2noc3c2CCCC3)C1 ZINC000608510844 1127874279 /nfs/dbraw/zinc/87/42/79/1127874279.db2.gz MXPCJBWKJGESCU-KRWDZBQOSA-N 0 1 276.424 3.956 20 0 CHADMN CO[C@](C)([C@@H](C)NCc1csc(C(C)(C)C)n1)C1CC1 ZINC000411943283 1127881150 /nfs/dbraw/zinc/88/11/50/1127881150.db2.gz IRTQXOTWWSITPD-BDJLRTHQSA-N 0 1 296.480 3.734 20 0 CHADMN CO[C@@](C)([C@H](C)NCc1csc(C(C)(C)C)n1)C1CC1 ZINC000411943286 1127881161 /nfs/dbraw/zinc/88/11/61/1127881161.db2.gz IRTQXOTWWSITPD-ZBEGNZNMSA-N 0 1 296.480 3.734 20 0 CHADMN O[C@@H]1C[C@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1 ZINC000411956638 1127881669 /nfs/dbraw/zinc/88/16/69/1127881669.db2.gz WJAFUGKMWJZYOL-IAGOWNOFSA-N 0 1 287.790 3.648 20 0 CHADMN CCc1nnc(CN(C)[C@@H]2CCCC[C@H]2c2ccccc2)o1 ZINC000411997450 1127884779 /nfs/dbraw/zinc/88/47/79/1127884779.db2.gz HXGSNFHYHGQLIV-JKSUJKDBSA-N 0 1 299.418 3.790 20 0 CHADMN c1nc(CN2C[C@H](c3ccccc3)C3(CCC3)C2)cs1 ZINC000411989188 1127885039 /nfs/dbraw/zinc/88/50/39/1127885039.db2.gz REYHFLFZFWOZAI-MRXNPFEDSA-N 0 1 284.428 3.913 20 0 CHADMN CCCCc1nc(CN[C@H](C)C2(OC)CCC2)cs1 ZINC000412016305 1127889375 /nfs/dbraw/zinc/88/93/75/1127889375.db2.gz BPKHUEYYSCPWFQ-GFCCVEGCSA-N 0 1 282.453 3.533 20 0 CHADMN CCN(Cc1occc1C)Cc1ccc(COC)cc1 ZINC000412030714 1127891652 /nfs/dbraw/zinc/89/16/52/1127891652.db2.gz WPINDAMKCKEOPQ-UHFFFAOYSA-N 0 1 273.376 3.757 20 0 CHADMN CCN(Cc1occc1C)Cc1cccc(COC)c1 ZINC000412030440 1127891719 /nfs/dbraw/zinc/89/17/19/1127891719.db2.gz WHZOOXGHSIBEBN-UHFFFAOYSA-N 0 1 273.376 3.757 20 0 CHADMN C[C@@H]1CC(C)(C)CN1Cc1cc(-c2ccco2)on1 ZINC000412029171 1127892259 /nfs/dbraw/zinc/89/22/59/1127892259.db2.gz XVKPWXYIXGMPMJ-LLVKDONJSA-N 0 1 260.337 3.555 20 0 CHADMN C[C@H](CCSc1ccccc1)N[C@H](C)c1csnn1 ZINC000412047251 1127893574 /nfs/dbraw/zinc/89/35/74/1127893574.db2.gz VKNCCUKPXGNRQE-VXGBXAGGSA-N 0 1 293.461 3.760 20 0 CHADMN O=C(C[C@H]1CCCN1C/C=C/Cl)c1ccc(F)cc1 ZINC000134831377 1127895385 /nfs/dbraw/zinc/89/53/85/1127895385.db2.gz HBRNMDOJZSBODE-JPFFYJABSA-N 0 1 281.758 3.615 20 0 CHADMN Cn1ccc([C@@H](NC[C@@H]2CC=CCC2)c2ccc(F)cc2)n1 ZINC000374519862 1127901888 /nfs/dbraw/zinc/90/18/88/1127901888.db2.gz HBQASOBIDYAMJF-KDOFPFPSSA-N 0 1 299.393 3.595 20 0 CHADMN CCCC(CCC)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000509702039 1127904687 /nfs/dbraw/zinc/90/46/87/1127904687.db2.gz YYFDGRCMHLPQPA-HNNXBMFYSA-N 0 1 296.480 3.683 20 0 CHADMN C[C@@H](c1cccnc1)N1CC[C@](F)(c2ccccc2)C1 ZINC000374639668 1127907128 /nfs/dbraw/zinc/90/71/28/1127907128.db2.gz VFTFPTJCCPSRRE-WMLDXEAASA-N 0 1 270.351 3.713 20 0 CHADMN CC1(CC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000428785775 1127924053 /nfs/dbraw/zinc/92/40/53/1127924053.db2.gz RBMFZGCLPVFPKZ-UHFFFAOYSA-N 0 1 279.290 3.629 20 0 CHADMN C[C@H](NCc1cnc([C@H]2CCCO2)s1)c1ccsc1 ZINC000669830957 1127930131 /nfs/dbraw/zinc/93/01/31/1127930131.db2.gz FJGJBJGEFSQKFA-GXFFZTMASA-N 0 1 294.445 3.907 20 0 CHADMN CCCCc1nc(CN2CCCC[C@H](COC)C2)cs1 ZINC000375111363 1127931210 /nfs/dbraw/zinc/93/12/10/1127931210.db2.gz BSXQVFNPDVTAHL-AWEZNQCLSA-N 0 1 296.480 3.734 20 0 CHADMN Cc1ccc(CNc2nc3cc(F)c(F)cc3s2)s1 ZINC000539607099 1127932004 /nfs/dbraw/zinc/93/20/04/1127932004.db2.gz YTRCPPPBUPBPBU-UHFFFAOYSA-N 0 1 296.367 3.978 20 0 CHADMN CC[C@@H](C[N@@H+](C)[C@@H](C)c1nc2ccccc2s1)OC ZINC000412980587 1127934713 /nfs/dbraw/zinc/93/47/13/1127934713.db2.gz XTYBBCNMKNSGMC-RYUDHWBXSA-N 0 1 278.421 3.714 20 0 CHADMN CC[C@@H](CN(C)[C@@H](C)c1nc2ccccc2s1)OC ZINC000412980587 1127934714 /nfs/dbraw/zinc/93/47/14/1127934714.db2.gz XTYBBCNMKNSGMC-RYUDHWBXSA-N 0 1 278.421 3.714 20 0 CHADMN CC1(C)CC[C@@H](CSc2nc(-c3ccccc3)n[nH]2)O1 ZINC000412982428 1127935208 /nfs/dbraw/zinc/93/52/08/1127935208.db2.gz IYZZOEJXQVDQKP-LBPRGKRZSA-N 0 1 289.404 3.521 20 0 CHADMN Cc1nc([C@H](C)SCc2cccc(Cl)c2)n[nH]1 ZINC000412987999 1127935519 /nfs/dbraw/zinc/93/55/19/1127935519.db2.gz BTWZUPQJJJOPJN-QMMMGPOBSA-N 0 1 267.785 3.761 20 0 CHADMN Cc1nc([C@@H](C)Sc2cccc(Cl)c2)n[nH]1 ZINC000412990631 1127935584 /nfs/dbraw/zinc/93/55/84/1127935584.db2.gz GLOIXWPSHKJQMI-SSDOTTSWSA-N 0 1 253.758 3.620 20 0 CHADMN CCCCn1c(C)c(C)nc1S[C@H](C)c1n[nH]c(C)n1 ZINC000412988504 1127935745 /nfs/dbraw/zinc/93/57/45/1127935745.db2.gz LDSFDBPSGASEKX-LLVKDONJSA-N 0 1 293.440 3.580 20 0 CHADMN Cc1nc([C@@H](C)S[C@@H]2CCCc3ccccc32)n[nH]1 ZINC000412992824 1127936638 /nfs/dbraw/zinc/93/66/38/1127936638.db2.gz NBCKIVBHRKKPNA-QMTHXVAHSA-N 0 1 273.405 3.985 20 0 CHADMN Cc1ccc([C@@H]2[C@@H](C)CCCN2Cc2ccn(C)n2)cc1 ZINC000539822942 1127943061 /nfs/dbraw/zinc/94/30/61/1127943061.db2.gz XGGUTXQHICLIHD-YJBOKZPZSA-N 0 1 283.419 3.702 20 0 CHADMN c1c[nH]c([C@H]2CCC[N@@H+]2CCCCc2ccccc2)n1 ZINC000375394928 1127943871 /nfs/dbraw/zinc/94/38/71/1127943871.db2.gz ZTJCQKPCOIJULE-MRXNPFEDSA-N 0 1 269.392 3.570 20 0 CHADMN c1c[nH]c([C@H]2CCCN2CCCCc2ccccc2)n1 ZINC000375394928 1127943874 /nfs/dbraw/zinc/94/38/74/1127943874.db2.gz ZTJCQKPCOIJULE-MRXNPFEDSA-N 0 1 269.392 3.570 20 0 CHADMN CCn1c2ccccc2nc1CN1CC[C@H](C)[C@H](C)C1 ZINC000539829225 1127944971 /nfs/dbraw/zinc/94/49/71/1127944971.db2.gz LLXXGIAWTYEYHT-UONOGXRCSA-N 0 1 271.408 3.534 20 0 CHADMN Cc1cc(CN(C)Cc2ccc[nH]2)cc(C)c1OC(F)F ZINC000539864176 1127950363 /nfs/dbraw/zinc/95/03/63/1127950363.db2.gz UDRVSCBYRCDYJL-UHFFFAOYSA-N 0 1 294.345 3.865 20 0 CHADMN CCC(CC)N(CC)Cc1nc(Br)cs1 ZINC001137780742 1127957110 /nfs/dbraw/zinc/95/71/10/1127957110.db2.gz JVFIZEFSRZJNBS-UHFFFAOYSA-N 0 1 291.258 3.916 20 0 CHADMN COC[C@H]1CCCN1Cc1c(Cl)cccc1SC ZINC001233350546 1127954483 /nfs/dbraw/zinc/95/44/83/1127954483.db2.gz KWDWNHBZDKMCBM-LLVKDONJSA-N 0 1 285.840 3.673 20 0 CHADMN COC[C@H]1CCCC[N@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000467120582 1127955945 /nfs/dbraw/zinc/95/59/45/1127955945.db2.gz PMGINGHMTMMWEC-STQMWFEESA-N 0 1 283.362 3.774 20 0 CHADMN C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000539997465 1127957199 /nfs/dbraw/zinc/95/71/99/1127957199.db2.gz UARDJTHJWCYRIC-QWHCGFSZSA-N 0 1 298.390 3.627 20 0 CHADMN COc1ccccc1/C=C/CN(C)Cc1ccccc1OC ZINC000505603668 1127958001 /nfs/dbraw/zinc/95/80/01/1127958001.db2.gz AQAMKTFFMGKCQJ-DHZHZOJOSA-N 0 1 297.398 3.849 20 0 CHADMN CC(C)[C@H](C)N(C)Cc1ccc(Cl)nc1Cl ZINC000232703350 1127958126 /nfs/dbraw/zinc/95/81/26/1127958126.db2.gz GPESNZPIWLJKCQ-VIFPVBQESA-N 0 1 261.196 3.865 20 0 CHADMN C[C@H](NCCCC(=O)OC(C)(C)C)c1c(F)cccc1F ZINC000544119038 1127959161 /nfs/dbraw/zinc/95/91/61/1127959161.db2.gz OADDMZAYAGYZTD-NSHDSACASA-N 0 1 299.361 3.737 20 0 CHADMN CO[C@@H]1CN(Cc2c(Cl)oc3ccccc32)CC[C@H]1C ZINC000467387435 1127967530 /nfs/dbraw/zinc/96/75/30/1127967530.db2.gz GSBHPQZSNKYLKV-IAQYHMDHSA-N 0 1 293.794 3.943 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000467284218 1127962696 /nfs/dbraw/zinc/96/26/96/1127962696.db2.gz PARCIQALEBPUNH-LYRGGWFBSA-N 0 1 283.362 3.773 20 0 CHADMN C[C@@H](NCCOc1ccccc1F)c1cc(F)ccc1F ZINC000540174706 1127965741 /nfs/dbraw/zinc/96/57/41/1127965741.db2.gz VGVGOLCNJKOVAT-LLVKDONJSA-N 0 1 295.304 3.834 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H](CO)c2cccc(F)c2)s1 ZINC000540186581 1127968411 /nfs/dbraw/zinc/96/84/11/1127968411.db2.gz ZFHBBWKUAFACAO-IAQYHMDHSA-N 0 1 293.407 3.834 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(Cl)c(C)c2)CCCO1 ZINC000467554039 1127973866 /nfs/dbraw/zinc/97/38/66/1127973866.db2.gz NCHXIAHWUKMZTR-CQSZACIVSA-N 0 1 267.800 3.649 20 0 CHADMN CCCCNC(=O)CN[C@H](c1ccccc1Cl)C(C)C ZINC000540388296 1127977186 /nfs/dbraw/zinc/97/71/86/1127977186.db2.gz LRZGZTJSCVKSCU-INIZCTEOSA-N 0 1 296.842 3.543 20 0 CHADMN Cn1ccc([C@@H](NCCC(C)(C)C)c2ccc(F)cc2)n1 ZINC000540491867 1127980986 /nfs/dbraw/zinc/98/09/86/1127980986.db2.gz DOGSTJUYCHPNML-INIZCTEOSA-N 0 1 289.398 3.674 20 0 CHADMN CCCCCN(C(=O)NCc1cn[nH]c1C)[C@@H](C)CCC ZINC000467813941 1127981216 /nfs/dbraw/zinc/98/12/16/1127981216.db2.gz PRNVNZVTGFXPHJ-ZDUSSCGKSA-N 0 1 294.443 3.609 20 0 CHADMN C[C@H]1CCN(Cc2cc(-c3ccco3)on2)CC1(C)C ZINC000544785533 1127983877 /nfs/dbraw/zinc/98/38/77/1127983877.db2.gz ROYVXUWJHNAMDD-LBPRGKRZSA-N 0 1 274.364 3.803 20 0 CHADMN CCc1nocc1C[N@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000507101380 1127991079 /nfs/dbraw/zinc/99/10/79/1127991079.db2.gz DLYKKPYLUQCIAY-QGZVFWFLSA-N 0 1 270.376 3.883 20 0 CHADMN C[C@@H](NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1 ZINC000540750936 1127993107 /nfs/dbraw/zinc/99/31/07/1127993107.db2.gz SBQSYGUZWSHVAK-GFCCVEGCSA-N 0 1 299.345 3.894 20 0 CHADMN CC[C@]1(C)CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C)C1 ZINC000468150631 1127995856 /nfs/dbraw/zinc/99/58/56/1127995856.db2.gz SNTWVVMDCZIUER-MRXNPFEDSA-N 0 1 294.464 3.734 20 0 CHADMN CC[C@]1(C)CCN(CC(=O)Nc2sc(C)c(C)c2C)C1 ZINC000468150631 1127995860 /nfs/dbraw/zinc/99/58/60/1127995860.db2.gz SNTWVVMDCZIUER-MRXNPFEDSA-N 0 1 294.464 3.734 20 0 CHADMN CCc1ccsc1-c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000545028389 1127997484 /nfs/dbraw/zinc/99/74/84/1127997484.db2.gz GXHZUBZYSQFPOF-UHFFFAOYSA-N 0 1 296.355 3.904 20 0 CHADMN CSCc1cc(F)ccc1CNCc1ccoc1 ZINC000088751583 1128003615 /nfs/dbraw/zinc/00/36/15/1128003615.db2.gz HMCAVWJLEBHWSB-UHFFFAOYSA-N 0 1 265.353 3.572 20 0 CHADMN COc1cc(C)c(CN(C)Cc2ccc(C)cc2)c(C)n1 ZINC000540998289 1128005084 /nfs/dbraw/zinc/00/50/84/1128005084.db2.gz OGVQVIYYZJKZPM-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN Cc1nn(C(C)C)cc1CNc1ccc2c(c1)nc(C)n2C ZINC000545240103 1128007652 /nfs/dbraw/zinc/00/76/52/1128007652.db2.gz PYMPPAMUNRZYJT-UHFFFAOYSA-N 0 1 297.406 3.580 20 0 CHADMN CCc1ccccc1NC(=O)CN1CC[C@H](C)C(C)(C)C1 ZINC000545415865 1128014231 /nfs/dbraw/zinc/01/42/31/1128014231.db2.gz VBIWYPLSLUXHSP-AWEZNQCLSA-N 0 1 288.435 3.556 20 0 CHADMN FCCn1cc(CN2CCCCC[C@H]2c2ccco2)cn1 ZINC000929675636 1128016740 /nfs/dbraw/zinc/01/67/40/1128016740.db2.gz GUFSZZAJQZKRFG-HNNXBMFYSA-N 0 1 291.370 3.563 20 0 CHADMN C[C@@H](c1ncccn1)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000929676613 1128020193 /nfs/dbraw/zinc/02/01/93/1128020193.db2.gz RHVMZHJUTLIAPG-VNHYZAJKSA-N 0 1 285.366 3.555 20 0 CHADMN C[C@@H]1CN(Cc2csc(N(C)C3CC3)n2)CC(C)(C)C1 ZINC000541326674 1128017940 /nfs/dbraw/zinc/01/79/40/1128017940.db2.gz VGGORVXQNRWXDM-LBPRGKRZSA-N 0 1 293.480 3.610 20 0 CHADMN CCC(CC)CC(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000468886307 1128026158 /nfs/dbraw/zinc/02/61/58/1128026158.db2.gz IUOPPLPWHJDNQJ-UHFFFAOYSA-N 0 1 286.379 3.545 20 0 CHADMN CC(C)c1noc(CN[C@H]2C[C@H](C)CC[C@H]2C(C)C)n1 ZINC000541611053 1128030998 /nfs/dbraw/zinc/03/09/98/1128030998.db2.gz FGZZXBHVUQRAHN-RDBSUJKOSA-N 0 1 279.428 3.743 20 0 CHADMN Cc1ccccc1NC(=O)CN1CCC[C@@H](CC(C)C)C1 ZINC000468987186 1128031100 /nfs/dbraw/zinc/03/11/00/1128031100.db2.gz MKFSFMYZYBADRY-INIZCTEOSA-N 0 1 288.435 3.692 20 0 CHADMN CCC[C@H]1CCCCN1CC(=O)Nc1ccc(C)cc1F ZINC000541694728 1128033668 /nfs/dbraw/zinc/03/36/68/1128033668.db2.gz JNOOCDQHAFRGOM-AWEZNQCLSA-N 0 1 292.398 3.727 20 0 CHADMN CN(Cc1ccc(C(F)F)cc1)Cc1cccc(O)c1 ZINC000545894995 1128037419 /nfs/dbraw/zinc/03/74/19/1128037419.db2.gz YHBQUXUWUICEPN-UHFFFAOYSA-N 0 1 277.314 3.962 20 0 CHADMN CCN(Cc1ccc2ccccc2c1)[C@@H](C(=O)OC)C1CC1 ZINC000541985225 1128045431 /nfs/dbraw/zinc/04/54/31/1128045431.db2.gz XMQMDUGUDRAFRW-GOSISDBHSA-N 0 1 297.398 3.613 20 0 CHADMN OC[C@H](NC/C=C\c1ccc(Cl)cc1)c1ccsc1 ZINC000469794813 1128054610 /nfs/dbraw/zinc/05/46/10/1128054610.db2.gz VVUGFSHFEFVLOI-OYADATRGSA-N 0 1 293.819 3.738 20 0 CHADMN Cc1cccc(-c2noc(CN(C)C[C@H]3CC=CCC3)n2)c1 ZINC000542247779 1128058722 /nfs/dbraw/zinc/05/87/22/1128058722.db2.gz RCXWMVBDVFLCDA-HNNXBMFYSA-N 0 1 297.402 3.833 20 0 CHADMN CC(C)CCc1noc(CN2CC[C@@H](C(C)(C)C)C2)n1 ZINC000542317803 1128062789 /nfs/dbraw/zinc/06/27/89/1128062789.db2.gz HTQIQAYQWNKBGA-CYBMUJFWSA-N 0 1 279.428 3.526 20 0 CHADMN CCCCCN1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000470211679 1128066273 /nfs/dbraw/zinc/06/62/73/1128066273.db2.gz KVJPHLFNESQRNJ-GXTWGEPZSA-N 0 1 253.411 3.700 20 0 CHADMN Cc1cccc(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)c1C ZINC000470317636 1128068690 /nfs/dbraw/zinc/06/86/90/1128068690.db2.gz KIVUNHPUGFALQR-UHFFFAOYSA-N 0 1 299.418 3.596 20 0 CHADMN CC[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000303516135 1128070404 /nfs/dbraw/zinc/07/04/04/1128070404.db2.gz XYZJQFRSCUDQCX-NEPJUHHUSA-N 0 1 282.815 3.645 20 0 CHADMN C[C@H]1CN(Cc2csc3ccccc23)C[C@H](C2CC2)O1 ZINC000470907564 1128079190 /nfs/dbraw/zinc/07/91/90/1128079190.db2.gz FFOOBZAHWAVGKD-BLLLJJGKSA-N 0 1 287.428 3.901 20 0 CHADMN CCc1nc[nH]c1C(=O)Nc1ccccc1C(F)(F)CC ZINC000913769934 1128079972 /nfs/dbraw/zinc/07/99/72/1128079972.db2.gz RLIOAWCAOBRUAG-UHFFFAOYSA-N 0 1 293.317 3.726 20 0 CHADMN C[C@H](c1ccncc1)N1CC[C@](F)(c2ccccc2)C1 ZINC000669942974 1128083440 /nfs/dbraw/zinc/08/34/40/1128083440.db2.gz DJBDWMHFZFBODF-RHSMWYFYSA-N 0 1 270.351 3.713 20 0 CHADMN C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](CO)C1 ZINC000304679329 1128090295 /nfs/dbraw/zinc/09/02/95/1128090295.db2.gz DQPDHSIVIGXGRP-GHMZBOCLSA-N 0 1 288.218 3.759 20 0 CHADMN Cc1cc(C)nc(CN2CCCC[C@@H]2c2cccn2C)c1 ZINC000929765464 1128091923 /nfs/dbraw/zinc/09/19/23/1128091923.db2.gz BKVLQAYBWVKOST-GOSISDBHSA-N 0 1 283.419 3.764 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1ncccc1C ZINC000557203476 1128093702 /nfs/dbraw/zinc/09/37/02/1128093702.db2.gz YGPCAILXRYJKHI-LJQANCHMSA-N 0 1 296.414 3.908 20 0 CHADMN CCOc1ccccc1CN1CCC(C(F)(F)F)CC1 ZINC000174190235 1128098373 /nfs/dbraw/zinc/09/83/73/1128098373.db2.gz ZVNXUJDALUCFLQ-UHFFFAOYSA-N 0 1 287.325 3.860 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1nc(-c2cc3ccccc3[nH]2)no1 ZINC000924426163 1128100822 /nfs/dbraw/zinc/10/08/22/1128100822.db2.gz VXJSJKZKVMUXLV-TXEJJXNPSA-N 0 1 296.374 3.591 20 0 CHADMN CC[C@H](C)[C@@](C)(O)CN[C@H](c1ccccc1)c1ccccn1 ZINC000305809790 1128102623 /nfs/dbraw/zinc/10/26/23/1128102623.db2.gz HOTFMVJQQLCPFH-IPELMVKDSA-N 0 1 298.430 3.558 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc2ccccc2c1)c1cn(C)cn1 ZINC000924542164 1128102919 /nfs/dbraw/zinc/10/29/19/1128102919.db2.gz QKCISYBABSDMKN-ZIAGYGMSSA-N 0 1 279.387 3.985 20 0 CHADMN COc1ccnc([C@@H](C)N[C@H](C)c2ccccc2C)c1 ZINC000924544763 1128103399 /nfs/dbraw/zinc/10/33/99/1128103399.db2.gz ZQJMLKNGIXGQLS-ZIAGYGMSSA-N 0 1 270.376 3.810 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(C(C)(C)O)cc1)c1ccccn1 ZINC000924544226 1128103407 /nfs/dbraw/zinc/10/34/07/1128103407.db2.gz VBTCIOKMGHBPDY-UONOGXRCSA-N 0 1 284.403 3.721 20 0 CHADMN CC[C@H](N[C@H](C)c1cc(OC)no1)c1ccc(C)cc1 ZINC000924546714 1128103431 /nfs/dbraw/zinc/10/34/31/1128103431.db2.gz KNDUJYNGISMHLD-OCCSQVGLSA-N 0 1 274.364 3.794 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@@H](C)c1cn2c(n1)CCCC2 ZINC000924543398 1128103438 /nfs/dbraw/zinc/10/34/38/1128103438.db2.gz QGSRCFCEDRNMRJ-GJZGRUSLSA-N 0 1 283.419 3.940 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@H](C)c1cn2c(n1)CCCC2 ZINC000924543399 1128103898 /nfs/dbraw/zinc/10/38/98/1128103898.db2.gz QGSRCFCEDRNMRJ-HUUCEWRRSA-N 0 1 283.419 3.940 20 0 CHADMN C[C@H](NCc1cccs1)c1cccc(Br)n1 ZINC000924557655 1128104765 /nfs/dbraw/zinc/10/47/65/1128104765.db2.gz QLVGZCQWFHLQSR-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3c2nccc3Cl)cc1F ZINC000924591643 1128106274 /nfs/dbraw/zinc/10/62/74/1128106274.db2.gz QFXXEDOCKXFTCC-OAHLLOKOSA-N 0 1 290.769 3.960 20 0 CHADMN Cc1cc(CN[C@H](C)c2cnn(C3CCC3)c2)ccc1F ZINC000924592242 1128106363 /nfs/dbraw/zinc/10/63/63/1128106363.db2.gz AKANSCPBNBTYLP-CYBMUJFWSA-N 0 1 287.382 3.906 20 0 CHADMN CC(C)C1CCN(Cc2ccncc2Cl)CC1 ZINC000174876587 1128108479 /nfs/dbraw/zinc/10/84/79/1128108479.db2.gz OTMCWQSKEJKIRD-UHFFFAOYSA-N 0 1 252.789 3.603 20 0 CHADMN C[C@H](N[C@@H]1CCCc2occc21)c1cccc2c1OCO2 ZINC000924642108 1128108755 /nfs/dbraw/zinc/10/87/55/1128108755.db2.gz AKTCTGLREABZTE-SMDDNHRTSA-N 0 1 285.343 3.737 20 0 CHADMN CCCCOc1cccc(CN[C@H](C)c2ccnnc2)c1 ZINC000924700474 1128110085 /nfs/dbraw/zinc/11/00/85/1128110085.db2.gz KGHPPXJXVWFQNM-CQSZACIVSA-N 0 1 285.391 3.506 20 0 CHADMN CCSc1ccccc1C[C@H](C)NCc1cc(C)on1 ZINC000924775860 1128112236 /nfs/dbraw/zinc/11/22/36/1128112236.db2.gz JMIIEAMCBNPBAS-LBPRGKRZSA-N 0 1 290.432 3.816 20 0 CHADMN Cc1c2cc(F)ccc2oc1CN[C@@H](C)c1ccnnc1 ZINC000924787302 1128112808 /nfs/dbraw/zinc/11/28/08/1128112808.db2.gz WDUNEVGCCJKJRC-NSHDSACASA-N 0 1 285.322 3.521 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccns1 ZINC000924844982 1128114877 /nfs/dbraw/zinc/11/48/77/1128114877.db2.gz CQUVCAUBEPEYLV-NOLJZWGESA-N 0 1 288.416 3.714 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@@H](C)c2cc(O)cc(F)c2)cn1 ZINC000925048264 1128120337 /nfs/dbraw/zinc/12/03/37/1128120337.db2.gz BMMBVBWOYWMLKE-NWDGAFQWSA-N 0 1 291.370 3.721 20 0 CHADMN Cc1cc(CN[C@@H](Cc2ccccc2C)c2ccco2)[nH]n1 ZINC000925103538 1128122379 /nfs/dbraw/zinc/12/23/79/1128122379.db2.gz NMEJTFSYUNOVMS-KRWDZBQOSA-N 0 1 295.386 3.693 20 0 CHADMN CC(C)[C@@H](C(=O)O[C@@H](C)c1cc2ccccc2o1)N(C)C ZINC000798858982 1128126971 /nfs/dbraw/zinc/12/69/71/1128126971.db2.gz XNHFCKZCCHNENL-LRDDRELGSA-N 0 1 289.375 3.623 20 0 CHADMN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc2n[nH]cc21 ZINC000493185272 1128127171 /nfs/dbraw/zinc/12/71/71/1128127171.db2.gz XUXUJGJHGCMMMK-STQMWFEESA-N 0 1 299.418 3.850 20 0 CHADMN Cc1cccc2c1CC[C@@H]2N[C@H](C)c1cn2c(n1)CCCC2 ZINC000925370438 1128128739 /nfs/dbraw/zinc/12/87/39/1128128739.db2.gz LXZDJQCGARZFHK-PBHICJAKSA-N 0 1 295.430 3.866 20 0 CHADMN COc1cc(C)cc(CN[C@@H](C)c2cnn(C3CCC3)c2)c1 ZINC000925603790 1128133998 /nfs/dbraw/zinc/13/39/98/1128133998.db2.gz ROSFCZAZXMBQGL-AWEZNQCLSA-N 0 1 299.418 3.776 20 0 CHADMN CC[C@H](N[C@H](c1cccnc1)C1CC1)c1cccc(OC)n1 ZINC000925644781 1128135593 /nfs/dbraw/zinc/13/55/93/1128135593.db2.gz NWZZHMOKSOHLSC-YJBOKZPZSA-N 0 1 297.402 3.677 20 0 CHADMN Cc1ccccc1[C@H](NCc1cc(N)cc[nH+]1)C1CCCC1 ZINC000925766331 1128141045 /nfs/dbraw/zinc/14/10/45/1128141045.db2.gz IWWFSSOLELTUJS-LJQANCHMSA-N 0 1 295.430 3.993 20 0 CHADMN C[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1ccns1 ZINC000926100365 1128154496 /nfs/dbraw/zinc/15/44/96/1128154496.db2.gz KXSMHQKJCKUOQK-SNVBAGLBSA-N 0 1 279.384 3.517 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(F)cc2Cl)CCS1 ZINC000494056543 1128154889 /nfs/dbraw/zinc/15/48/89/1128154889.db2.gz ABNZKONYSCGOML-SNVBAGLBSA-N 0 1 273.804 3.807 20 0 CHADMN C[C@H]1CCN(Cc2cccc(OC(C)(C)C)n2)CCS1 ZINC000494109813 1128156331 /nfs/dbraw/zinc/15/63/31/1128156331.db2.gz WLRHJAQUUITDJB-ZDUSSCGKSA-N 0 1 294.464 3.586 20 0 CHADMN CC(C)Oc1ccc(C[N@@H+](C)C[C@H]2CCCO2)cc1Cl ZINC000494178296 1128157747 /nfs/dbraw/zinc/15/77/47/1128157747.db2.gz DLBVDBPSXOMWEO-CQSZACIVSA-N 0 1 297.826 3.738 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@@H]1CCc2c1nccc2Cl ZINC000926187079 1128158815 /nfs/dbraw/zinc/15/88/15/1128158815.db2.gz AGEKGQRFAVXOMB-GMSGAONNSA-N 0 1 278.705 3.653 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccco1)c1cc2ccccc2[nH]1 ZINC000926198190 1128159879 /nfs/dbraw/zinc/15/98/79/1128159879.db2.gz UDBNEYGNGUCEPR-SWLSCSKDSA-N 0 1 284.359 3.535 20 0 CHADMN C[C@H](NCc1ccc(C(C)(C)C)s1)c1ccnnc1 ZINC000926825634 1128197091 /nfs/dbraw/zinc/19/70/91/1128197091.db2.gz NYEAGFOUYJLXJH-NSHDSACASA-N 0 1 275.421 3.686 20 0 CHADMN COc1c2ccccc2oc1CN[C@H](C)C1(Cl)CC1 ZINC000926257560 1128163993 /nfs/dbraw/zinc/16/39/93/1128163993.db2.gz BNMIZQLBXOLPTQ-SNVBAGLBSA-N 0 1 279.767 3.691 20 0 CHADMN C=CC[C@@H](C(=O)Nc1cc(C#N)ccc1O)c1ccccc1 ZINC000187331772 1128164495 /nfs/dbraw/zinc/16/44/95/1128164495.db2.gz AQAGJBQQJMMHSQ-OAHLLOKOSA-N 0 1 292.338 3.562 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)CC3CCC3)n[nH]2)cc1C ZINC000186823839 1128165460 /nfs/dbraw/zinc/16/54/60/1128165460.db2.gz HGFJSTRVMPGNSV-UHFFFAOYSA-N 0 1 297.402 3.566 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1ncccc1C ZINC000494243177 1128166205 /nfs/dbraw/zinc/16/62/05/1128166205.db2.gz YDSBHEHQZVHJOT-NTCAYCPXSA-N 0 1 266.388 3.925 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)[C@@H](C)c1cnccn1 ZINC000494274545 1128168020 /nfs/dbraw/zinc/16/80/20/1128168020.db2.gz QXHGIHNGOXJDSL-SZGZABIGSA-N 0 1 267.376 3.573 20 0 CHADMN COc1cccc([C@@H](C)N[C@H](C)c2cncc(F)c2)c1 ZINC000222236226 1128168115 /nfs/dbraw/zinc/16/81/15/1128168115.db2.gz OVJZYBPTUGONNS-VXGBXAGGSA-N 0 1 274.339 3.641 20 0 CHADMN Cc1ccccc1[C@H]1C[C@H](N[C@H](C)c2cn(C(C)C)nn2)C1 ZINC000926350637 1128168626 /nfs/dbraw/zinc/16/86/26/1128168626.db2.gz LOCVSWGFWZEARI-BZUAXINKSA-N 0 1 298.434 3.764 20 0 CHADMN COc1ccc([C@@H]2CCC[N@H+]2C/C=C\c2ccncc2)cc1 ZINC000494355316 1128169516 /nfs/dbraw/zinc/16/95/16/1128169516.db2.gz CIRMKXQKAGJEBH-GHMGLMHVSA-N 0 1 294.398 3.941 20 0 CHADMN CCCc1csc(CNCCOc2cccc(C)c2)n1 ZINC000494348078 1128169773 /nfs/dbraw/zinc/16/97/73/1128169773.db2.gz KCBPZGGJKIONNN-UHFFFAOYSA-N 0 1 290.432 3.573 20 0 CHADMN FC1(F)CCC[C@@H]1N[C@H]1CCC[C@H]1Cc1ccccn1 ZINC000926428502 1128171513 /nfs/dbraw/zinc/17/15/13/1128171513.db2.gz KYXOZQYLBQOFFO-QEJZJMRPSA-N 0 1 280.362 3.570 20 0 CHADMN COCCN(Cc1ccc(C)o1)Cc1ccc(CF)cc1 ZINC000777599681 1128173520 /nfs/dbraw/zinc/17/35/20/1128173520.db2.gz KOILJUQAQRFRLS-UHFFFAOYSA-N 0 1 291.366 3.706 20 0 CHADMN C[C@H](NCc1ccc(C2CCCCC2)cc1)c1cnnn1C ZINC000926481870 1128174589 /nfs/dbraw/zinc/17/45/89/1128174589.db2.gz UQIXRQNRORKHNQ-AWEZNQCLSA-N 0 1 298.434 3.714 20 0 CHADMN COc1ccc2cc(CNCc3cncc(F)c3)ccc2c1 ZINC000494568614 1128177986 /nfs/dbraw/zinc/17/79/86/1128177986.db2.gz YTFRRCNKKNAOKL-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2NC[C@]1(C)CC1(Cl)Cl ZINC000926522203 1128178319 /nfs/dbraw/zinc/17/83/19/1128178319.db2.gz XQWLBPADRHWEAK-SKDRFNHKSA-N 0 1 289.206 3.534 20 0 CHADMN F[C@@H]1CCCC[C@H]1N[C@@H](c1ccccn1)C1CCC1 ZINC000926587119 1128182414 /nfs/dbraw/zinc/18/24/14/1128182414.db2.gz HEFDCHPBJDUPMM-IIAWOOMASA-N 0 1 262.372 3.793 20 0 CHADMN COc1cccc2cc([C@H](C)N[C@@H](C)c3cn[nH]c3)oc21 ZINC000224763972 1128183137 /nfs/dbraw/zinc/18/31/37/1128183137.db2.gz OKIVPZUNGBZQFL-QWRGUYRKSA-N 0 1 285.347 3.576 20 0 CHADMN Clc1cccc(CN2CCC[C@H](OCC3CC3)C2)c1 ZINC000494657304 1128185064 /nfs/dbraw/zinc/18/50/64/1128185064.db2.gz ZEDCNAAQDDLVLF-INIZCTEOSA-N 0 1 279.811 3.731 20 0 CHADMN Cc1ccc([C@H](N[C@@H]2C=CCC2)c2ccccn2)cc1 ZINC000926691050 1128187894 /nfs/dbraw/zinc/18/78/94/1128187894.db2.gz QXTKVULXFGUORD-AEFFLSMTSA-N 0 1 264.372 3.788 20 0 CHADMN CCC[C@H](N[C@H]1C=CCC1)c1ncccc1Cl ZINC000926689947 1128187964 /nfs/dbraw/zinc/18/79/64/1128187964.db2.gz MKZXSUBCGXHHBB-AAEUAGOBSA-N 0 1 250.773 3.884 20 0 CHADMN C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1ccnn1C1CCC1 ZINC000926708225 1128189049 /nfs/dbraw/zinc/18/90/49/1128189049.db2.gz ARRQJXJQJIDMDR-PXAZEXFGSA-N 0 1 297.402 3.652 20 0 CHADMN C[C@H](N[C@@H]1CCCc2ccc(Cl)cc21)c1cn(C)cn1 ZINC000926776156 1128193794 /nfs/dbraw/zinc/19/37/94/1128193794.db2.gz POJMKVHRCSIPJM-XHDPSFHLSA-N 0 1 289.810 3.802 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2cccc3c2OCO3)s1 ZINC000926786619 1128193958 /nfs/dbraw/zinc/19/39/58/1128193958.db2.gz PQNBKEOSVZDFGK-ZJUUUORDSA-N 0 1 290.388 3.592 20 0 CHADMN F[C@@H]1CCCC[C@@H]1N[C@@H]1CCc2c1nccc2Cl ZINC000926787711 1128193970 /nfs/dbraw/zinc/19/39/70/1128193970.db2.gz ZXRGQWMRILOPDG-FRRDWIJNSA-N 0 1 268.763 3.593 20 0 CHADMN C[C@H](N[C@@H]1CCCn2nccc21)c1coc2ccccc12 ZINC000926815153 1128196327 /nfs/dbraw/zinc/19/63/27/1128196327.db2.gz BCVBBMNRAVMMCD-SWLSCSKDSA-N 0 1 281.359 3.815 20 0 CHADMN CC(C)(C)c1cnc(CN2CCCCCCC2)o1 ZINC000914787049 1128244735 /nfs/dbraw/zinc/24/47/35/1128244735.db2.gz MRTMRCLNDOJOSK-UHFFFAOYSA-N 0 1 250.386 3.738 20 0 CHADMN Cc1ccc(C)c(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000230048737 1128246163 /nfs/dbraw/zinc/24/61/63/1128246163.db2.gz DMBJCZATKVXPLT-XIRDDKMYSA-N 0 1 287.403 3.521 20 0 CHADMN CC[C@@H]1CCC[C@H]1Nc1ccc(CN(C)C)c(F)c1 ZINC000777702822 1128246735 /nfs/dbraw/zinc/24/67/35/1128246735.db2.gz UKMBYHSWOZJQPW-MLGOLLRUSA-N 0 1 264.388 3.878 20 0 CHADMN Cc1ncc([C@H](C)Nc2ccc(CN(C)C)c(F)c2)s1 ZINC000777701292 1128247400 /nfs/dbraw/zinc/24/74/00/1128247400.db2.gz LGVGNFBAIKJNIK-JTQLQIEISA-N 0 1 293.411 3.825 20 0 CHADMN Cc1ncc([C@@H](C)Nc2ccc(CN(C)C)c(F)c2)s1 ZINC000777701294 1128247538 /nfs/dbraw/zinc/24/75/38/1128247538.db2.gz LGVGNFBAIKJNIK-SNVBAGLBSA-N 0 1 293.411 3.825 20 0 CHADMN CC[C@@]1(O)CCN([C@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000495230209 1128248074 /nfs/dbraw/zinc/24/80/74/1128248074.db2.gz LSVZZOKKFBRKNU-QMTHXVAHSA-N 0 1 288.218 3.901 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3c(C)noc3C(C)C)c2[nH]1 ZINC000928784346 1128249538 /nfs/dbraw/zinc/24/95/38/1128249538.db2.gz GYLKZOJDUGAXSD-UHFFFAOYSA-N 0 1 298.346 3.543 20 0 CHADMN FCc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000777713937 1128253235 /nfs/dbraw/zinc/25/32/35/1128253235.db2.gz NWEYIESFHBXYTE-UHFFFAOYSA-N 0 1 273.273 3.851 20 0 CHADMN FCc1ccc(CN2CC=C(C(F)(F)F)CC2)cc1 ZINC000777713937 1128253240 /nfs/dbraw/zinc/25/32/40/1128253240.db2.gz NWEYIESFHBXYTE-UHFFFAOYSA-N 0 1 273.273 3.851 20 0 CHADMN CC[C@@H]1COC[C@@H]1NCc1c(Cl)cccc1Cl ZINC000699481704 1128254494 /nfs/dbraw/zinc/25/44/94/1128254494.db2.gz GOFIHRZIHOGALW-RNCFNFMXSA-N 0 1 274.191 3.508 20 0 CHADMN CCN(CC)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000001998328 1128255177 /nfs/dbraw/zinc/25/51/77/1128255177.db2.gz CNWLNPREKYKGMQ-UHFFFAOYSA-N 0 1 298.386 3.759 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2cc3c(cc2Cl)OCO3)C1 ZINC001138245241 1128256978 /nfs/dbraw/zinc/25/69/78/1128256978.db2.gz VFHIRFJNKXALAQ-QWRGUYRKSA-N 0 1 281.783 3.547 20 0 CHADMN CCc1ncc(CN2CCC[C@@H]2c2ccc(C)cc2)o1 ZINC000929088523 1128257242 /nfs/dbraw/zinc/25/72/42/1128257242.db2.gz MSXOKWONPMEDSJ-MRXNPFEDSA-N 0 1 270.376 3.883 20 0 CHADMN Cc1ccc(CN(C)[C@@H](C)c2ccc(F)nc2)cc1 ZINC000929206685 1128263856 /nfs/dbraw/zinc/26/38/56/1128263856.db2.gz CQKQRGLSSDBZFV-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1nc(COC(C)C)no1 ZINC000929855911 1128263926 /nfs/dbraw/zinc/26/39/26/1128263926.db2.gz UCWUHKBOKUJJAW-CQSZACIVSA-N 0 1 295.427 3.539 20 0 CHADMN CO[C@@H](CNC(C)(C)c1nccs1)C1CCCCC1 ZINC000660075353 1128200165 /nfs/dbraw/zinc/20/01/65/1128200165.db2.gz YACWAOHNRXYCSL-ZDUSSCGKSA-N 0 1 282.453 3.563 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](C)c2ccc(F)cc2C)c(C)n1 ZINC000926902911 1128201725 /nfs/dbraw/zinc/20/17/25/1128201725.db2.gz NULLSHBQZJZPRV-RYUDHWBXSA-N 0 1 287.382 3.953 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cncs2)cc1C ZINC000926904145 1128202064 /nfs/dbraw/zinc/20/20/64/1128202064.db2.gz VARVQXLXQBGBPS-NWDGAFQWSA-N 0 1 276.405 3.872 20 0 CHADMN CCCc1csc(CN[C@H]2CCCO[C@H]2CC(C)C)n1 ZINC000494843806 1128204975 /nfs/dbraw/zinc/20/49/75/1128204975.db2.gz BTESIRMUQKODJG-GJZGRUSLSA-N 0 1 296.480 3.779 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@@]2(C)CCCCO2)cs1 ZINC000927017002 1128208385 /nfs/dbraw/zinc/20/83/85/1128208385.db2.gz HWMKCWSVGIAPGG-IUODEOHRSA-N 0 1 282.453 3.876 20 0 CHADMN C[C@]1(CN[C@H](c2ccccc2)c2ccccn2)CCCCO1 ZINC000927023128 1128209090 /nfs/dbraw/zinc/20/90/90/1128209090.db2.gz UJDVOJODQZJVQB-RTBURBONSA-N 0 1 296.414 3.720 20 0 CHADMN CC(C)n1ccn(CN(C)[C@@H](C)C(C)(C)C)c1=S ZINC000914568135 1128211903 /nfs/dbraw/zinc/21/19/03/1128211903.db2.gz AYRXZFRUMRFIIG-LBPRGKRZSA-N 0 1 269.458 3.924 20 0 CHADMN Cc1c([C@H](C)N[C@H]2CCCc3cccnc32)cnn1C(C)C ZINC000927063325 1128213412 /nfs/dbraw/zinc/21/34/12/1128213412.db2.gz DUCRTLXIBNFDMS-GUYCJALGSA-N 0 1 298.434 3.896 20 0 CHADMN CCOc1ccc(-c2nc(CNC3(C4CC4)CC3)co2)cc1 ZINC000542525256 1128214701 /nfs/dbraw/zinc/21/47/01/1128214701.db2.gz MGAAIQITVATPCF-UHFFFAOYSA-N 0 1 298.386 3.773 20 0 CHADMN C(=C\c1ccncc1)\CN1CCC[C@H]1c1ccco1 ZINC000494981901 1128219287 /nfs/dbraw/zinc/21/92/87/1128219287.db2.gz UOKUACLGIFVRJB-RTNQIJGDSA-N 0 1 254.333 3.525 20 0 CHADMN C[C@@H]1C[N@@H+](C/C=C\c2ccncc2)[C@H]1c1ccccc1 ZINC000494979024 1128221249 /nfs/dbraw/zinc/22/12/49/1128221249.db2.gz WMJZVIIQOZLVFZ-CPHMMYSSSA-N 0 1 264.372 3.788 20 0 CHADMN Cc1cc(C)nc(CN(C)[C@@H](C)c2cccs2)c1 ZINC000929284525 1128267738 /nfs/dbraw/zinc/26/77/38/1128267738.db2.gz UCXTXRYSSKBZJS-ZDUSSCGKSA-N 0 1 260.406 3.953 20 0 CHADMN CCc1noc(CC)c1CN[C@H]1CCc2c1cccc2C ZINC000166937910 1129226981 /nfs/dbraw/zinc/22/69/81/1129226981.db2.gz JTAXLTGJJRUFOF-KRWDZBQOSA-N 0 1 284.403 3.885 20 0 CHADMN CCc1ncc(CN(CC)[C@@H](C)c2ccc(F)cc2)o1 ZINC000929334008 1128270286 /nfs/dbraw/zinc/27/02/86/1128270286.db2.gz UAPXKHAJLSZCQW-LBPRGKRZSA-N 0 1 276.355 3.959 20 0 CHADMN CCN(Cc1[nH]c(C)nc1C)[C@@H](C)c1cccc(OC)c1 ZINC000929332082 1128270454 /nfs/dbraw/zinc/27/04/54/1128270454.db2.gz YYNXWCYLBPSVJG-ZDUSSCGKSA-N 0 1 287.407 3.618 20 0 CHADMN CCc1ncc(CN(Cc2ccc(F)cc2)C(C)C)o1 ZINC000929378804 1128271906 /nfs/dbraw/zinc/27/19/06/1128271906.db2.gz KNCVZRHUUCLRHB-UHFFFAOYSA-N 0 1 276.355 3.787 20 0 CHADMN Cc1occc1CN(C)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929336580 1128269757 /nfs/dbraw/zinc/26/97/57/1128269757.db2.gz YJWWDPGIJFSMTF-STQMWFEESA-N 0 1 291.313 3.520 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NC/C=C\c1ccccc1)CO2 ZINC000495368507 1128275615 /nfs/dbraw/zinc/27/56/15/1128275615.db2.gz HPZLFYGBAYOVJH-OUOZUETKSA-N 0 1 269.319 3.562 20 0 CHADMN Cc1cc(-c2noc(C(C)(Cl)Cl)n2)cc2nc[nH]c21 ZINC000762172381 1128277663 /nfs/dbraw/zinc/27/76/63/1128277663.db2.gz IDIVCCFEBUDOLS-UHFFFAOYSA-N 0 1 297.145 3.572 20 0 CHADMN Cc1cn(C)nc1CN(C)[C@@H](c1ccccc1)C(C)C ZINC000929630112 1128279383 /nfs/dbraw/zinc/27/93/83/1128279383.db2.gz BIQPYVDYZFTQAZ-QGZVFWFLSA-N 0 1 271.408 3.558 20 0 CHADMN Clc1cc(CN2C3CCC2CC3)cc2c1OCCCO2 ZINC000637725824 1129227798 /nfs/dbraw/zinc/22/77/98/1129227798.db2.gz ZBZRTOPZFYMPLQ-UHFFFAOYSA-N 0 1 293.794 3.628 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1coc(C(C)(C)C)n1 ZINC000929705064 1128283606 /nfs/dbraw/zinc/28/36/06/1128283606.db2.gz SUVPQAWRAWUTIT-NWDGAFQWSA-N 0 1 250.386 3.593 20 0 CHADMN CC[C@H]1C[C@H](C)CN1Cc1coc(C(C)(C)C)n1 ZINC000929762587 1128285406 /nfs/dbraw/zinc/28/54/06/1128285406.db2.gz GHOLZTXFNXQECM-AAEUAGOBSA-N 0 1 250.386 3.593 20 0 CHADMN CCc1ccc([C@@H](NCc2nn(C)cc2C)C(C)C)cc1 ZINC000929862434 1128290824 /nfs/dbraw/zinc/29/08/24/1128290824.db2.gz XDCMXFUXMJLMAG-SFHVURJKSA-N 0 1 285.435 3.778 20 0 CHADMN Cc1cn(C)nc1CN[C@@H](c1ccccc1)C(C)(C)C ZINC000929890742 1128292416 /nfs/dbraw/zinc/29/24/16/1128292416.db2.gz HAYIQKKGOWIAGA-INIZCTEOSA-N 0 1 271.408 3.606 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000930038363 1128298559 /nfs/dbraw/zinc/29/85/59/1128298559.db2.gz FIRBJHHCSWDJCQ-RHSMWYFYSA-N 0 1 299.393 3.858 20 0 CHADMN C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccccc1CF ZINC000930118389 1128301894 /nfs/dbraw/zinc/30/18/94/1128301894.db2.gz FIYJAWODZIEETI-ZDUSSCGKSA-N 0 1 258.340 3.744 20 0 CHADMN C[C@@H](c1cccnc1)N(C)Cc1ccccc1CF ZINC000930118389 1128301900 /nfs/dbraw/zinc/30/19/00/1128301900.db2.gz FIYJAWODZIEETI-ZDUSSCGKSA-N 0 1 258.340 3.744 20 0 CHADMN C[C@@H](c1ccccn1)N(C)C[C@H]1CCCC2(CCC2)O1 ZINC000930120234 1128302011 /nfs/dbraw/zinc/30/20/11/1128302011.db2.gz ZTXDSUMDUVZUNY-LSDHHAIUSA-N 0 1 274.408 3.566 20 0 CHADMN Cc1nc2c(s1)C[N@@H+]([C@@H](C)Cc1cccc(F)c1)CC2 ZINC001168491975 1128309379 /nfs/dbraw/zinc/30/93/79/1128309379.db2.gz OJGKKKFQMIYSPG-NSHDSACASA-N 0 1 290.407 3.580 20 0 CHADMN Cc1nnsc1[C@H](C)N[C@H](c1ccccc1)C1CC1 ZINC000930238466 1128310148 /nfs/dbraw/zinc/31/01/48/1128310148.db2.gz DWHZZAPBIOTBSS-IINYFYTJSA-N 0 1 273.405 3.648 20 0 CHADMN CC(=O)Oc1ccc(C[N@@H+](Cc2ccc(C)o2)C2CC2)cc1 ZINC000762630189 1128311324 /nfs/dbraw/zinc/31/13/24/1128311324.db2.gz UDOSSAVJNDYRFR-UHFFFAOYSA-N 0 1 299.370 3.678 20 0 CHADMN CC(=O)Oc1ccc(CN(Cc2ccc(C)o2)C2CC2)cc1 ZINC000762630189 1128311328 /nfs/dbraw/zinc/31/13/28/1128311328.db2.gz UDOSSAVJNDYRFR-UHFFFAOYSA-N 0 1 299.370 3.678 20 0 CHADMN COC/C(C)=C/CN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000930281568 1128312247 /nfs/dbraw/zinc/31/22/47/1128312247.db2.gz ZTZBMOGKYGXJRS-KZIRBZLESA-N 0 1 296.414 3.662 20 0 CHADMN CCCN(CC(=O)Nc1c(C)cc(C)cc1Cl)C1CC1 ZINC000171682151 1128314896 /nfs/dbraw/zinc/31/48/96/1128314896.db2.gz DTZONYVHXDHFPL-UHFFFAOYSA-N 0 1 294.826 3.770 20 0 CHADMN COC/C(C)=C/CN1CC(C)(C)[C@@H]1c1cccs1 ZINC000930492473 1128321679 /nfs/dbraw/zinc/32/16/79/1128321679.db2.gz GPONYHAFYLGHGE-GMMCIKNFSA-N 0 1 265.422 3.724 20 0 CHADMN Cc1cn(C)nc1CN[C@@H](C)c1ccc(F)c2ccccc21 ZINC000930495977 1128321815 /nfs/dbraw/zinc/32/18/15/1128321815.db2.gz KQNDLRGOFOTOAS-ZDUSSCGKSA-N 0 1 297.377 3.872 20 0 CHADMN Clc1cccc(Cl)c1CN[C@H]1CCO[C@H]1C1CC1 ZINC000236036895 1128316876 /nfs/dbraw/zinc/31/68/76/1128316876.db2.gz LLMHEDRGDPAUOK-KBPBESRZSA-N 0 1 286.202 3.651 20 0 CHADMN Clc1cccc(Cl)c1CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000236036805 1128316918 /nfs/dbraw/zinc/31/69/18/1128316918.db2.gz LLMHEDRGDPAUOK-ZIAGYGMSSA-N 0 1 286.202 3.651 20 0 CHADMN CCc1ncc(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)o1 ZINC000930532391 1128323430 /nfs/dbraw/zinc/32/34/30/1128323430.db2.gz SVGDCOZSXSEHNN-NEPJUHHUSA-N 0 1 290.329 3.790 20 0 CHADMN c1cc(CN2CCC(OCC3CCCCC3)CC2)sn1 ZINC000637984801 1128326777 /nfs/dbraw/zinc/32/67/77/1128326777.db2.gz MEMIOTYEHHRIRG-UHFFFAOYSA-N 0 1 294.464 3.704 20 0 CHADMN CC(C)c1cccc(CN[C@H](CO)c2cccc(F)c2)c1 ZINC000660237116 1129228462 /nfs/dbraw/zinc/22/84/62/1129228462.db2.gz WDIQZPLNUZLGLB-GOSISDBHSA-N 0 1 287.378 3.772 20 0 CHADMN Cc1nnsc1[C@@H](C)N[C@H](C)c1ccc(F)c(C)c1 ZINC000930599280 1128327515 /nfs/dbraw/zinc/32/75/15/1128327515.db2.gz WQVXRYPWZGVBPA-NXEZZACHSA-N 0 1 279.384 3.706 20 0 CHADMN Clc1cccc(CN[C@@H]2CC23CC3)c1Br ZINC000715259154 1128330088 /nfs/dbraw/zinc/33/00/88/1128330088.db2.gz BSYUXMALJRRJCE-SNVBAGLBSA-N 0 1 286.600 3.745 20 0 CHADMN [O-]c1cccc(C[NH2+]CCc2cc(F)cc(F)c2)c1Cl ZINC000393376696 1128333170 /nfs/dbraw/zinc/33/31/70/1128333170.db2.gz LVMMAYTWBHDQTA-UHFFFAOYSA-N 0 1 297.732 3.656 20 0 CHADMN COc1ccccc1C1(NCc2ccccc2CF)CC1 ZINC000930813407 1128336147 /nfs/dbraw/zinc/33/61/47/1128336147.db2.gz DLTOOAKACYHBJK-UHFFFAOYSA-N 0 1 285.362 3.944 20 0 CHADMN Fc1cccc(F)c1[C@@H]1CCC[N@H+]1CC1CCC1 ZINC001202775386 1128337270 /nfs/dbraw/zinc/33/72/70/1128337270.db2.gz CSOVROAOMLUEOT-AWEZNQCLSA-N 0 1 251.320 3.902 20 0 CHADMN OC[C@@H](NCc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000561612368 1128341431 /nfs/dbraw/zinc/34/14/31/1128341431.db2.gz XUDCRRXAMRLKEV-LJQANCHMSA-N 0 1 295.357 3.802 20 0 CHADMN CC(F)(F)CCCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000931081848 1128346398 /nfs/dbraw/zinc/34/63/98/1128346398.db2.gz BPXFUIHWNFIIEQ-ZDUSSCGKSA-N 0 1 268.351 3.900 20 0 CHADMN COc1cncc(CN[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000699799458 1128347116 /nfs/dbraw/zinc/34/71/16/1128347116.db2.gz AXOFNJWIWYWUSF-INIZCTEOSA-N 0 1 288.778 3.521 20 0 CHADMN CCCC(C)(C)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000931223788 1128353237 /nfs/dbraw/zinc/35/32/37/1128353237.db2.gz GVIOEMUAEXBYBR-UHFFFAOYSA-N 0 1 295.333 3.809 20 0 CHADMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000561793652 1128353687 /nfs/dbraw/zinc/35/36/87/1128353687.db2.gz JQQSIKCBJMJKSN-LLVKDONJSA-N 0 1 252.789 3.603 20 0 CHADMN CC[C@@H](C)NC(=O)[C@H](C)N(C)Cc1ccc(C(C)C)cc1 ZINC000561807138 1128355401 /nfs/dbraw/zinc/35/54/01/1128355401.db2.gz AQVGXKSOJBIBDV-CABCVRRESA-N 0 1 290.451 3.545 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CCC(c2ncco2)CC1 ZINC000931448356 1128362394 /nfs/dbraw/zinc/36/23/94/1128362394.db2.gz BFAJSGNWUPSDOI-GFCCVEGCSA-N 0 1 274.339 3.754 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1cc(C(C)(C)C)on1 ZINC000562030298 1128372080 /nfs/dbraw/zinc/37/20/80/1128372080.db2.gz ZSQGRKPGEPLHFL-ZDUSSCGKSA-N 0 1 250.386 3.593 20 0 CHADMN CCCCC[C@H](C)CC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000763198473 1128373293 /nfs/dbraw/zinc/37/32/93/1128373293.db2.gz QSSQREYPDSWNTG-STQMWFEESA-N 0 1 294.443 3.712 20 0 CHADMN CCc1nc(CN(C)C[C@@H](C)C(C)(C)C)cs1 ZINC000670262933 1128374978 /nfs/dbraw/zinc/37/49/78/1128374978.db2.gz KBHXGGHMRXSYGR-LLVKDONJSA-N 0 1 254.443 3.820 20 0 CHADMN C[C@H](CN1CCO[C@H](c2ccsc2)C1)C(C)(C)C ZINC000670265076 1128375645 /nfs/dbraw/zinc/37/56/45/1128375645.db2.gz KUMORFWMQSSPLS-OCCSQVGLSA-N 0 1 267.438 3.804 20 0 CHADMN COc1ccc([C@H](C)NCc2cccc(C)n2)cc1C ZINC000932571360 1128416074 /nfs/dbraw/zinc/41/60/74/1128416074.db2.gz ZVUJIWGPDGQQCF-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN Clc1ccc(CCCN2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000562137373 1128380913 /nfs/dbraw/zinc/38/09/13/1128380913.db2.gz XFUSFRNPAXFLSG-HZPDHXFCSA-N 0 1 279.811 3.526 20 0 CHADMN Fc1ccc(CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931916896 1128387103 /nfs/dbraw/zinc/38/71/03/1128387103.db2.gz KITLYWWWXOWNQG-GFCCVEGCSA-N 0 1 291.263 3.692 20 0 CHADMN Fc1ccc(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931916897 1128387744 /nfs/dbraw/zinc/38/77/44/1128387744.db2.gz KITLYWWWXOWNQG-LBPRGKRZSA-N 0 1 291.263 3.692 20 0 CHADMN Fc1cccc(CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931919004 1128387963 /nfs/dbraw/zinc/38/79/63/1128387963.db2.gz SAZXINWAUYUNGO-GFCCVEGCSA-N 0 1 291.263 3.692 20 0 CHADMN Clc1cnccc1CN1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931930768 1128388820 /nfs/dbraw/zinc/38/88/20/1128388820.db2.gz KECYLTLHNROWQU-WBVHZDCISA-N 0 1 284.790 3.509 20 0 CHADMN CO[C@@H](C)c1nc(C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)cs1 ZINC000932122055 1128395342 /nfs/dbraw/zinc/39/53/42/1128395342.db2.gz NCQNDTABDRESKG-UPJWGTAASA-N 0 1 282.453 3.719 20 0 CHADMN CO[C@@H](C)c1nc(CN2CC[C@@H](C)C[C@@H](C)C2)cs1 ZINC000932122055 1128395347 /nfs/dbraw/zinc/39/53/47/1128395347.db2.gz NCQNDTABDRESKG-UPJWGTAASA-N 0 1 282.453 3.719 20 0 CHADMN CC[C@H](CC(F)F)CN1CCn2nc(C(C)(C)C)cc2C1 ZINC000932615757 1128417266 /nfs/dbraw/zinc/41/72/66/1128417266.db2.gz SYJCPEHLNRSGFL-GFCCVEGCSA-N 0 1 299.409 3.678 20 0 CHADMN CC(C)(C)OC[C@H]1CCCN1Cc1cncc(Cl)c1 ZINC000932169348 1128397763 /nfs/dbraw/zinc/39/77/63/1128397763.db2.gz QLZWXFDQQZUBGK-CQSZACIVSA-N 0 1 282.815 3.515 20 0 CHADMN CC(C)(C)OC[C@@H]1CCCN1Cc1ccc(Cl)nc1 ZINC000932168570 1128398113 /nfs/dbraw/zinc/39/81/13/1128398113.db2.gz ONVPLGVXDXCYGB-ZDUSSCGKSA-N 0 1 282.815 3.515 20 0 CHADMN CC(C)(C)OC[C@H]1CCCN1Cc1nc2ccccc2o1 ZINC000932163295 1128398156 /nfs/dbraw/zinc/39/81/56/1128398156.db2.gz IRJAZGXUBGUYKU-CYBMUJFWSA-N 0 1 288.391 3.607 20 0 CHADMN Cc1cc(-c2noc([C@H](C)NCC3(C)CC3)n2)ccc1F ZINC000562366735 1128398234 /nfs/dbraw/zinc/39/82/34/1128398234.db2.gz VFZUIQBOMSLQQF-NSHDSACASA-N 0 1 289.354 3.635 20 0 CHADMN Cn1nccc1[C@H]1CCCN1Cc1cc2ccccc2o1 ZINC000932269830 1128401895 /nfs/dbraw/zinc/40/18/95/1128401895.db2.gz NDLFRSBCNLGEBD-MRXNPFEDSA-N 0 1 281.359 3.503 20 0 CHADMN Fc1cc(CN2CC[C@H](c3ccncc3)C2)ccc1Cl ZINC000562477440 1128404426 /nfs/dbraw/zinc/40/44/26/1128404426.db2.gz LOOMOTQOGVOITB-AWEZNQCLSA-N 0 1 290.769 3.864 20 0 CHADMN C[C@H](c1ccccc1)N1CCN(Cc2ccccc2F)CC1 ZINC000916369106 1128417907 /nfs/dbraw/zinc/41/79/07/1128417907.db2.gz OOOULHVMXWRFDC-MRXNPFEDSA-N 0 1 298.405 3.705 20 0 CHADMN Cc1nc(CN[C@H]2CCc3c2cccc3C)sc1C ZINC000153843044 1128406725 /nfs/dbraw/zinc/40/67/25/1128406725.db2.gz DABAQDURNQMURI-HNNXBMFYSA-N 0 1 272.417 3.845 20 0 CHADMN c1ccc([C@H](NCc2ccccc2OC2CC2)C2CC2)nc1 ZINC000932387596 1128407199 /nfs/dbraw/zinc/40/71/99/1128407199.db2.gz YONCCRYSBSGYLS-LJQANCHMSA-N 0 1 294.398 3.864 20 0 CHADMN CCc1nc(CN(C)C[C@H]2CCC(F)(F)C2)cs1 ZINC000562529269 1128408567 /nfs/dbraw/zinc/40/85/67/1128408567.db2.gz RTQOXZMNLRALMM-JTQLQIEISA-N 0 1 274.380 3.573 20 0 CHADMN CC[C@H](NCc1cccc(N)c1)c1cc(F)ccc1OC ZINC000932470880 1128411481 /nfs/dbraw/zinc/41/14/81/1128411481.db2.gz ZCZPERFSNCOCIV-INIZCTEOSA-N 0 1 288.366 3.657 20 0 CHADMN CCC(=O)Nc1cccc(CN[C@@H]2CCCc3occc32)c1 ZINC000562592563 1128412434 /nfs/dbraw/zinc/41/24/34/1128412434.db2.gz KBZSXEQSDJFLAQ-MRXNPFEDSA-N 0 1 298.386 3.795 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC(O)(C2CCC2)CC1 ZINC000932821183 1128422448 /nfs/dbraw/zinc/42/24/48/1128422448.db2.gz GFIZSOONQRMJJD-LBPRGKRZSA-N 0 1 295.373 3.653 20 0 CHADMN Cc1cccc(C)c1OCCCN1CCn2cccc2[C@H]1C ZINC000496967674 1128429873 /nfs/dbraw/zinc/42/98/73/1128429873.db2.gz NOVAHGPSMLLDSO-QGZVFWFLSA-N 0 1 298.430 3.951 20 0 CHADMN C[N@@H+](Cc1cccc(=O)[nH]1)[C@@H]1CCc2c1cccc2Cl ZINC000933397594 1128434423 /nfs/dbraw/zinc/43/44/23/1128434423.db2.gz FJTYLLCTDJSQPV-OAHLLOKOSA-N 0 1 288.778 3.560 20 0 CHADMN CN(Cc1cccc(=O)[nH]1)[C@@H]1CCc2c1cccc2Cl ZINC000933397594 1128434426 /nfs/dbraw/zinc/43/44/26/1128434426.db2.gz FJTYLLCTDJSQPV-OAHLLOKOSA-N 0 1 288.778 3.560 20 0 CHADMN CC[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933399869 1128434512 /nfs/dbraw/zinc/43/45/12/1128434512.db2.gz XIXAQAHGLWZWCZ-OAHLLOKOSA-N 0 1 274.339 3.509 20 0 CHADMN CC[C@@H]1CN(CCCOc2c(C)cccc2C)C[C@@H](C)O1 ZINC000496982370 1128434474 /nfs/dbraw/zinc/43/44/74/1128434474.db2.gz JHZQHIJVSWOEPW-IAGOWNOFSA-N 0 1 291.435 3.572 20 0 CHADMN CC(C)c1ccccc1C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933408559 1128434929 /nfs/dbraw/zinc/43/49/29/1128434929.db2.gz VZLMOCCKHJPYHI-UHFFFAOYSA-N 0 1 270.376 3.543 20 0 CHADMN CC(C)c1ccccc1CN(C)Cc1cccc(=O)[nH]1 ZINC000933408559 1128434932 /nfs/dbraw/zinc/43/49/32/1128434932.db2.gz VZLMOCCKHJPYHI-UHFFFAOYSA-N 0 1 270.376 3.543 20 0 CHADMN CO[C@H]1CCCC[C@@H]1N[C@@H](C)c1c(F)cccc1F ZINC000037771854 1128435781 /nfs/dbraw/zinc/43/57/81/1128435781.db2.gz YBBDLSQCCXAWKO-BPNCWPANSA-N 0 1 269.335 3.573 20 0 CHADMN COc1ccc([C@@H](C)NCc2cnc(C)s2)cc1C ZINC000933484421 1128436047 /nfs/dbraw/zinc/43/60/47/1128436047.db2.gz KLWRRGBOHZFUEG-LLVKDONJSA-N 0 1 276.405 3.619 20 0 CHADMN C[C@@H](N[C@H](C)C1CCCC1)c1noc(-c2ccccc2)n1 ZINC000124476750 1128445015 /nfs/dbraw/zinc/44/50/15/1128445015.db2.gz SGZPZXOXAASESI-CHWSQXEVSA-N 0 1 285.391 3.966 20 0 CHADMN CCc1nc(S[C@H](C)c2cccc(Cl)c2)n[nH]1 ZINC000124963596 1128446718 /nfs/dbraw/zinc/44/67/18/1128446718.db2.gz HUHMTTKIFUHOIG-MRVPVSSYSA-N 0 1 267.785 3.874 20 0 CHADMN CCc1n[nH]c(S[C@H](C)c2cccc(Cl)c2)n1 ZINC000124963596 1128446719 /nfs/dbraw/zinc/44/67/19/1128446719.db2.gz HUHMTTKIFUHOIG-MRVPVSSYSA-N 0 1 267.785 3.874 20 0 CHADMN Cc1nc(OC(C)C)ccc1-c1c(F)cc(F)c(O)c1F ZINC001236002327 1128452849 /nfs/dbraw/zinc/45/28/49/1128452849.db2.gz NBYOYCMPKJUOMC-UHFFFAOYSA-N 0 1 297.276 3.967 20 0 CHADMN CCC[C@@](C)(NCc1cn2cccnc2n1)c1ccccc1 ZINC000934185002 1128454049 /nfs/dbraw/zinc/45/40/49/1128454049.db2.gz WRWHBQHVXXTSDT-GOSISDBHSA-N 0 1 294.402 3.534 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cc(F)cc2F)c1cncs1 ZINC000934195437 1128454634 /nfs/dbraw/zinc/45/46/34/1128454634.db2.gz OKBBWZXKTKDSJP-ISVAXAHUSA-N 0 1 280.343 3.759 20 0 CHADMN CSc1ccccc1CN[C@H](C)c1cncs1 ZINC000934195322 1128454740 /nfs/dbraw/zinc/45/47/40/1128454740.db2.gz MRVZHWFJSKWTGO-SNVBAGLBSA-N 0 1 264.419 3.716 20 0 CHADMN Cc1nn(C)c(Cl)c1CN1CCC(C)(C(C)C)CC1 ZINC000778219956 1128450879 /nfs/dbraw/zinc/45/08/79/1128450879.db2.gz RSYHAUXWQXCZMF-UHFFFAOYSA-N 0 1 283.847 3.640 20 0 CHADMN C[C@@H]1CSCCCN1Cc1nc2ccccc2s1 ZINC000934298044 1128457414 /nfs/dbraw/zinc/45/74/14/1128457414.db2.gz SLAZTWNKQMDCIS-LLVKDONJSA-N 0 1 278.446 3.624 20 0 CHADMN C[C@H]1CSCCCN1Cc1nsc2ccccc21 ZINC000934298261 1128457490 /nfs/dbraw/zinc/45/74/90/1128457490.db2.gz YVHXRXBRRDYHNT-NSHDSACASA-N 0 1 278.446 3.624 20 0 CHADMN C[C@@H](N[C@@H]1CC=CC[C@H]1C)c1noc(-c2ccccc2)n1 ZINC000934623027 1128465020 /nfs/dbraw/zinc/46/50/20/1128465020.db2.gz XQZCIKRLVZMKJQ-UMVBOHGHSA-N 0 1 283.375 3.742 20 0 CHADMN FCCC1C[C@H]2CC[C@@H](C1)N2Cc1nc2ccccc2[nH]1 ZINC000934451417 1128460363 /nfs/dbraw/zinc/46/03/63/1128460363.db2.gz KYBVGKGZDCPTAD-AGUYFDCRSA-N 0 1 287.382 3.666 20 0 CHADMN Cc1cccc(C)c1CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126693409 1128465594 /nfs/dbraw/zinc/46/55/94/1128465594.db2.gz PQVNWQOILXRHDF-LJQANCHMSA-N 0 1 297.398 3.583 20 0 CHADMN Cc1ccc(F)c(CN[C@@H](c2ccncc2)C2CC2)c1 ZINC000934700934 1128467271 /nfs/dbraw/zinc/46/72/71/1128467271.db2.gz ZAOUDYYBNUBUSO-QGZVFWFLSA-N 0 1 270.351 3.770 20 0 CHADMN CN(Cc1cccn1C)Cc1ccc(OC(F)(F)F)cc1 ZINC000126834376 1128469485 /nfs/dbraw/zinc/46/94/85/1128469485.db2.gz XXOXRRWFSXRYTD-UHFFFAOYSA-N 0 1 298.308 3.556 20 0 CHADMN C[C@@H]1CCN(Cc2nnc(C(C)(C)C)o2)[C@@H]2CCCC[C@@H]12 ZINC000917053137 1128470346 /nfs/dbraw/zinc/47/03/46/1128470346.db2.gz NRJHZYLTCHGRTA-HZSPNIEDSA-N 0 1 291.439 3.768 20 0 CHADMN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1n[nH]c2ccccc21 ZINC000497324518 1128471789 /nfs/dbraw/zinc/47/17/89/1128471789.db2.gz LCMXDXAHCGJSTD-BFHYXJOUSA-N 0 1 297.402 3.652 20 0 CHADMN Cc1ccc2nc(SCCOCC(F)(F)F)[nH]c2c1 ZINC000066408774 1128473512 /nfs/dbraw/zinc/47/35/12/1128473512.db2.gz TVBUNFLSUQORCO-UHFFFAOYSA-N 0 1 290.310 3.542 20 0 CHADMN Cc1ncsc1C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000066563761 1128474830 /nfs/dbraw/zinc/47/48/30/1128474830.db2.gz JFMHPJUDEBSLHP-HNNXBMFYSA-N 0 1 272.417 3.961 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226420756 1128485018 /nfs/dbraw/zinc/48/50/18/1128485018.db2.gz OMICXIDKZXBQPX-NEPJUHHUSA-N 0 1 281.783 3.588 20 0 CHADMN CCC1(CC)[C@H](N[C@H](C)c2cscn2)[C@@H](C)[C@H]1OC ZINC000538867418 1128485581 /nfs/dbraw/zinc/48/55/81/1128485581.db2.gz CIMZMAFIUXQJPX-HBJVGIJOSA-N 0 1 282.453 3.633 20 0 CHADMN CC(=O)c1cc(CN(C)[C@H]2CCC[C@H]2c2ccccc2)on1 ZINC000563970003 1128487615 /nfs/dbraw/zinc/48/76/15/1128487615.db2.gz GSUIUQVZQDWSDW-WMZOPIPTSA-N 0 1 298.386 3.645 20 0 CHADMN CCC(CC)[N@@H+](CC)Cc1cc(-c2ccco2)on1 ZINC000563998300 1128488886 /nfs/dbraw/zinc/48/88/86/1128488886.db2.gz BHUGEQWFWPNPJJ-UHFFFAOYSA-N 0 1 262.353 3.945 20 0 CHADMN COc1ccccc1[C@H](N[C@H]1CC=CCC1)c1ccccn1 ZINC000925436044 1128492269 /nfs/dbraw/zinc/49/22/69/1128492269.db2.gz CDYLGEQKXJCHLS-KXBFYZLASA-N 0 1 294.398 3.878 20 0 CHADMN Cc1ccc(CN(C)Cc2nc(C(C)C)n3ccccc23)o1 ZINC000564091456 1128492765 /nfs/dbraw/zinc/49/27/65/1128492765.db2.gz RGOSLORMCOXJFZ-UHFFFAOYSA-N 0 1 297.402 3.991 20 0 CHADMN CCCc1c(C)[nH]n(-c2ccc(Cl)cc2C)c1=O ZINC000917345769 1128494927 /nfs/dbraw/zinc/49/49/27/1128494927.db2.gz JPNZXZPGAXFUMV-GFCCVEGCSA-N 0 1 264.756 3.787 20 0 CHADMN CC1(C)CCC(C[N@@H+](CC(=O)[O-])Cc2ccccc2)CC1 ZINC000567116536 1128558178 /nfs/dbraw/zinc/55/81/78/1128558178.db2.gz BACUZSJRKWRHMC-UHFFFAOYSA-N 0 1 289.419 3.790 20 0 CHADMN CCC(CC)CN(CC)Cn1c2cc(C)ccc2oc1=O ZINC000917615986 1128513056 /nfs/dbraw/zinc/51/30/56/1128513056.db2.gz ZSRDENXQNJBQCY-UHFFFAOYSA-N 0 1 290.407 3.619 20 0 CHADMN CCN(CC(C)C)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000930033469 1128558662 /nfs/dbraw/zinc/55/86/62/1128558662.db2.gz XWFPAVLPYZBXRC-UHFFFAOYSA-N 0 1 295.333 3.619 20 0 CHADMN O=C([O-])[C@H](CC[N@H+]1CCC[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000565101261 1128519881 /nfs/dbraw/zinc/51/98/81/1128519881.db2.gz CYYJFDBAKQFVFG-GVDBMIGSSA-N 0 1 287.403 3.509 20 0 CHADMN Cc1oc([C@@H](C)[N@H+]2CC[C@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000565102421 1128519991 /nfs/dbraw/zinc/51/99/91/1128519991.db2.gz HZHGUVZZVKQTJB-DOMZBBRYSA-N 0 1 299.370 3.837 20 0 CHADMN C[C@@H]([N@@H+](C)Cc1ccc(C(=O)[O-])c(Cl)c1)C(C)(C)C ZINC000565102503 1128520259 /nfs/dbraw/zinc/52/02/59/1128520259.db2.gz GUOHSCYDPFZDBS-SNVBAGLBSA-N 0 1 283.799 3.905 20 0 CHADMN Fc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000565301493 1128523601 /nfs/dbraw/zinc/52/36/01/1128523601.db2.gz VSHJQAJKPOLIKI-BLLLJJGKSA-N 0 1 297.801 3.870 20 0 CHADMN CC(=O)c1cc(CN2C[C@H](c3ccc(C)cc3)C[C@@H]2C)on1 ZINC000565607156 1128529079 /nfs/dbraw/zinc/52/90/79/1128529079.db2.gz NYBNAAPOGLLPKK-XJKSGUPXSA-N 0 1 298.386 3.564 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CCCc1ccc(Cl)cc1 ZINC000565662667 1128530461 /nfs/dbraw/zinc/53/04/61/1128530461.db2.gz IOUCHDFGZHEWRP-HNNXBMFYSA-N 0 1 297.826 3.704 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000565744289 1128532236 /nfs/dbraw/zinc/53/22/36/1128532236.db2.gz RPVMXNYUHDCTGR-WQVCFCJDSA-N 0 1 277.383 3.776 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1CCc2c1cccc2Cl ZINC000565731346 1128532376 /nfs/dbraw/zinc/53/23/76/1128532376.db2.gz ZSGNYEDUIQLOOJ-MRXNPFEDSA-N 0 1 290.794 3.976 20 0 CHADMN C[C@@H](NCc1ccoc1)c1cnc2ccsc2c1 ZINC000129313471 1128536566 /nfs/dbraw/zinc/53/65/66/1128536566.db2.gz WLXNQEUGYJWVSK-SNVBAGLBSA-N 0 1 258.346 3.740 20 0 CHADMN Cc1cccc2nc(-c3ccc(Br)o3)[nH]c21 ZINC000070233695 1128560088 /nfs/dbraw/zinc/56/00/88/1128560088.db2.gz SITAHZFFIASELF-UHFFFAOYSA-N 0 1 277.121 3.894 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000566175206 1128539809 /nfs/dbraw/zinc/53/98/09/1128539809.db2.gz INPHRWXQCNIBPR-WDMOLILDSA-N 0 1 283.774 3.651 20 0 CHADMN CCc1ccccc1NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000069526059 1128541765 /nfs/dbraw/zinc/54/17/65/1128541765.db2.gz XJTPDQRFYGHIKN-UHFFFAOYSA-N 0 1 291.354 3.891 20 0 CHADMN CCCC[N@@H+](C)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000566360204 1128542475 /nfs/dbraw/zinc/54/24/75/1128542475.db2.gz SGCUOKRYRRTKBS-LBPRGKRZSA-N 0 1 290.190 3.851 20 0 CHADMN COc1ccc(CNC2(c3ccccc3)CC2)c(F)c1 ZINC000566336147 1128542698 /nfs/dbraw/zinc/54/26/98/1128542698.db2.gz SSZZIAIVIPXCHQ-UHFFFAOYSA-N 0 1 271.335 3.613 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000566358793 1128542965 /nfs/dbraw/zinc/54/29/65/1128542965.db2.gz MPKRWABDDJRPAW-HSMVNMDESA-N 0 1 291.366 3.677 20 0 CHADMN C[C@H]1CC[N@@H+](CC[C@H](C(=O)[O-])c2ccccc2)CC1(C)C ZINC000566361531 1128542991 /nfs/dbraw/zinc/54/29/91/1128542991.db2.gz KSTSFMLMESRHIR-HOCLYGCPSA-N 0 1 289.419 3.613 20 0 CHADMN Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000566366711 1128543808 /nfs/dbraw/zinc/54/38/08/1128543808.db2.gz CHYZZXVCRKULJF-FZKQIMNGSA-N 0 1 297.398 3.833 20 0 CHADMN CCCCCc1ccc(NC(=O)[C@@H](C)Cc2cnc[nH]2)cc1 ZINC000566433538 1128544257 /nfs/dbraw/zinc/54/42/57/1128544257.db2.gz VJRMUFCGDVRTFY-AWEZNQCLSA-N 0 1 299.418 3.960 20 0 CHADMN Cc1cc(F)ccc1[C@H]1CCC[N@H+]1Cc1ncccc1O ZINC000556176972 1128560597 /nfs/dbraw/zinc/56/05/97/1128560597.db2.gz CNWVTZZXVVDORJ-MRXNPFEDSA-N 0 1 286.350 3.572 20 0 CHADMN CCc1nc(CN2CCC[C@@H]2[C@@H](CC)c2ccccc2)no1 ZINC000069679346 1128545607 /nfs/dbraw/zinc/54/56/07/1128545607.db2.gz YTWOOWCVFMAIRP-JKSUJKDBSA-N 0 1 299.418 3.790 20 0 CHADMN CCCCCN(Cc1ccc(F)cc1)Cc1cnccn1 ZINC000566664183 1128548676 /nfs/dbraw/zinc/54/86/76/1128548676.db2.gz ZEZQZTYCHLPRDV-UHFFFAOYSA-N 0 1 287.382 3.808 20 0 CHADMN Cc1nsc(C)c1CNC(C)(C)c1cccs1 ZINC000567245962 1128560917 /nfs/dbraw/zinc/56/09/17/1128560917.db2.gz BSFVCZWBRWOJRH-UHFFFAOYSA-N 0 1 266.435 3.846 20 0 CHADMN Cc1oncc1CN[C@H](C)c1cccc2ccccc21 ZINC000129692573 1128550970 /nfs/dbraw/zinc/55/09/70/1128550970.db2.gz HOLZQTKOMZZKQA-GFCCVEGCSA-N 0 1 266.344 3.987 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@@H](Cc3ccc(C)cc3)C2)o1 ZINC000566987962 1128555701 /nfs/dbraw/zinc/55/57/01/1128555701.db2.gz IRAUEALVLZEOIO-PBHICJAKSA-N 0 1 299.418 3.702 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000566978977 1128556132 /nfs/dbraw/zinc/55/61/32/1128556132.db2.gz HWTOSTWVNQRIOZ-WMLDXEAASA-N 0 1 295.382 3.763 20 0 CHADMN C[C@H]1CC[N@@H+](CCCCCC(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000567055256 1128556504 /nfs/dbraw/zinc/55/65/04/1128556504.db2.gz ULNVBYIGBRVFFC-SUMWQHHRSA-N 0 1 293.382 3.854 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@@H](C)c2cncc(F)c2)s1 ZINC000129819702 1128557234 /nfs/dbraw/zinc/55/72/34/1128557234.db2.gz JYIBBOKFSGUXLL-IUCAKERBSA-N 0 1 279.384 3.706 20 0 CHADMN Cc1nc(SC[C@H]2CC(C)=NO2)[nH]c1-c1ccccc1 ZINC000917517960 1128503041 /nfs/dbraw/zinc/50/30/41/1128503041.db2.gz RCIQMUMVGOOJEH-CYBMUJFWSA-N 0 1 287.388 3.642 20 0 CHADMN COC(=O)[C@@H](C)N(CC[C@@H](C)c1ccccc1)C1CCC1 ZINC000567438423 1128564495 /nfs/dbraw/zinc/56/44/95/1128564495.db2.gz OMPZBWPQELIPIH-HUUCEWRRSA-N 0 1 289.419 3.596 20 0 CHADMN CC1(C)CN(C/C=C/c2ccccc2)[C@@H]1[C@H]1CCCO1 ZINC000567548704 1128567459 /nfs/dbraw/zinc/56/74/59/1128567459.db2.gz NNROGRHBOHXILW-DTIZEGCPSA-N 0 1 271.404 3.589 20 0 CHADMN C[C@@H]1CN(C[C@H]2CCC3(CCCCC3)O2)CC2(CCC2)O1 ZINC000567811188 1128572211 /nfs/dbraw/zinc/57/22/11/1128572211.db2.gz WLEMEVRCAQOBPF-HZPDHXFCSA-N 0 1 293.451 3.512 20 0 CHADMN CCOc1cccc(Cl)c1CN1CC[C@H](OC)[C@H](C)C1 ZINC000569985817 1128613800 /nfs/dbraw/zinc/61/38/00/1128613800.db2.gz JUYFDKOQZFWETI-DOMZBBRYSA-N 0 1 297.826 3.596 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(Cl)nc2)c1 ZINC000042339682 1128573834 /nfs/dbraw/zinc/57/38/34/1128573834.db2.gz FYYDVSBZFQNETC-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN COc1cc(CNCc2ccc(C)s2)c(Cl)cc1O ZINC000638377638 1128578972 /nfs/dbraw/zinc/57/89/72/1128578972.db2.gz QURCKMKUROGYHF-UHFFFAOYSA-N 0 1 297.807 3.714 20 0 CHADMN CC(C)C[C@H]1CCCN1CC(=O)Nc1ccccc1Cl ZINC000130338892 1128580005 /nfs/dbraw/zinc/58/00/05/1128580005.db2.gz IDGDIQGXSQFZLY-CYBMUJFWSA-N 0 1 294.826 3.789 20 0 CHADMN CCSc1cccc(CN[C@@H](C)c2cncnc2C)c1 ZINC000568240145 1128581181 /nfs/dbraw/zinc/58/11/81/1128581181.db2.gz ZLFNLGLUDZRJEW-LBPRGKRZSA-N 0 1 287.432 3.748 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CCCC(C)C)CC(=O)[O-] ZINC000568290822 1128581721 /nfs/dbraw/zinc/58/17/21/1128581721.db2.gz SOBBNJKYPNZRGC-MRXNPFEDSA-N 0 1 277.408 3.961 20 0 CHADMN CCCC[C@@H](CC)C[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000568290380 1128581981 /nfs/dbraw/zinc/58/19/81/1128581981.db2.gz IHXMCGWJXKBQMZ-CHWSQXEVSA-N 0 1 255.402 3.530 20 0 CHADMN Cc1nc2c(n1CCCCC(F)(F)F)CCCC2 ZINC000568414634 1128583969 /nfs/dbraw/zinc/58/39/69/1128583969.db2.gz QQYPJJHFSFVCAA-UHFFFAOYSA-N 0 1 260.303 3.803 20 0 CHADMN C[C@H](c1cccc2ccccc21)N1CCO[C@@H](CF)C1 ZINC000568602972 1128588430 /nfs/dbraw/zinc/58/84/30/1128588430.db2.gz RONCAMLVDAJDGC-HIFRSBDPSA-N 0 1 273.351 3.571 20 0 CHADMN CN(c1nc(CN(C2CC2)C2CCCC2)cs1)C1CC1 ZINC000130630126 1128590373 /nfs/dbraw/zinc/59/03/73/1128590373.db2.gz FTHWFVVIECZTJI-UHFFFAOYSA-N 0 1 291.464 3.649 20 0 CHADMN CCC[C@@H](CC)NC(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000568699954 1128590511 /nfs/dbraw/zinc/59/05/11/1128590511.db2.gz PCQYQZDHKVCMHL-IAGOWNOFSA-N 0 1 290.451 3.592 20 0 CHADMN CCC[C@H](CC)NC(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000568699955 1128590625 /nfs/dbraw/zinc/59/06/25/1128590625.db2.gz PCQYQZDHKVCMHL-IRXDYDNUSA-N 0 1 290.451 3.592 20 0 CHADMN COc1cccc(CN2CCC(CC(F)(F)F)CC2)c1 ZINC000556508501 1128598246 /nfs/dbraw/zinc/59/82/46/1128598246.db2.gz MFBMTHXBGORFGN-UHFFFAOYSA-N 0 1 287.325 3.860 20 0 CHADMN CC[N@@H+](Cc1ccc(C)c(C)c1)C1CCC(C(=O)[O-])CC1 ZINC000569121199 1128599159 /nfs/dbraw/zinc/59/91/59/1128599159.db2.gz GMMXRYLIJSBLGW-UHFFFAOYSA-N 0 1 289.419 3.769 20 0 CHADMN CCc1ccc([C@H]2C[N@@H+](CCCCCF)CCO2)cc1 ZINC000556533483 1128599484 /nfs/dbraw/zinc/59/94/84/1128599484.db2.gz IUDPPHWZVOSXGU-QGZVFWFLSA-N 0 1 279.399 3.762 20 0 CHADMN CCc1ccc([C@H]2CN(CCCCCF)CCO2)cc1 ZINC000556533483 1128599485 /nfs/dbraw/zinc/59/94/85/1128599485.db2.gz IUDPPHWZVOSXGU-QGZVFWFLSA-N 0 1 279.399 3.762 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)[C@H](C(=O)[O-])C1 ZINC000570100618 1128616021 /nfs/dbraw/zinc/61/60/21/1128616021.db2.gz SCVJIFKBPYOTON-GUYCJALGSA-N 0 1 287.403 3.639 20 0 CHADMN COc1ccccc1/C=C/CN(C)[C@@H](C)c1ccco1 ZINC000131090834 1128604546 /nfs/dbraw/zinc/60/45/46/1128604546.db2.gz SBGDJXUXNJRIIS-MRZGDXHCSA-N 0 1 271.360 3.994 20 0 CHADMN CC(C)CC[C@H](O)CN1CCc2cccc(F)c2[C@@H]1C ZINC000569660674 1128607107 /nfs/dbraw/zinc/60/71/07/1128607107.db2.gz WVDUVPVVTSWRMK-ZFWWWQNUSA-N 0 1 279.399 3.542 20 0 CHADMN CCCCC[N@@H+](Cc1oncc1C(=O)[O-])[C@@H](C)CCC ZINC000570100877 1128616363 /nfs/dbraw/zinc/61/63/63/1128616363.db2.gz YSYFSESHKHZPIU-LBPRGKRZSA-N 0 1 282.384 3.554 20 0 CHADMN Cc1ccc([C@@H](NCc2cnc3n2CCCC3)C2CCC2)o1 ZINC000556611330 1128610136 /nfs/dbraw/zinc/61/01/36/1128610136.db2.gz ZYXHVKDPIRJDMH-SFHVURJKSA-N 0 1 299.418 3.752 20 0 CHADMN Cc1ccc(C2=CCN(CCOCC(F)(F)F)CC2)cc1 ZINC000919673613 1128620971 /nfs/dbraw/zinc/62/09/71/1128620971.db2.gz OZTARCFUHLKZKP-UHFFFAOYSA-N 0 1 299.336 3.663 20 0 CHADMN O=C(Nc1nc(C2CCC2)cs1)c1cccc2c[nH]nc21 ZINC000570356362 1128622209 /nfs/dbraw/zinc/62/22/09/1128622209.db2.gz RLXWERQHEDJBPB-UHFFFAOYSA-N 0 1 298.371 3.539 20 0 CHADMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000570403984 1128622804 /nfs/dbraw/zinc/62/28/04/1128622804.db2.gz YISCVJBHACSXLK-WDEREUQCSA-N 0 1 281.783 3.659 20 0 CHADMN CC/C=C/CC[N@H+](Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000570689175 1128629656 /nfs/dbraw/zinc/62/96/56/1128629656.db2.gz JCSJMYCCUXDLQA-MBVDDHJVSA-N 0 1 275.392 3.566 20 0 CHADMN COC1CCC(CNc2noc3ccc(Cl)cc32)CC1 ZINC000570768232 1128631472 /nfs/dbraw/zinc/63/14/72/1128631472.db2.gz SQMYLGQCKMXWNQ-UHFFFAOYSA-N 0 1 294.782 3.520 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000570730465 1128630659 /nfs/dbraw/zinc/63/06/59/1128630659.db2.gz UBGWDQMKWSQYCP-CYBMUJFWSA-N 0 1 281.421 3.765 20 0 CHADMN CC(C)[C@H]1CC[C@@H]1NCc1c(F)cc(F)c(F)c1F ZINC000556876764 1128632325 /nfs/dbraw/zinc/63/23/25/1128632325.db2.gz QXEPTUOZTHMFGP-PELKAZGASA-N 0 1 275.289 3.767 20 0 CHADMN CC(C)[C@H]1CC[C@@H]1NCc1cc(COC(C)(C)C)on1 ZINC000556893558 1128636804 /nfs/dbraw/zinc/63/68/04/1128636804.db2.gz VTOAJRIXHLYEBB-CABCVRRESA-N 0 1 280.412 3.514 20 0 CHADMN CC(C)c1nc(CNc2cnn(C(C)C)c2)c2ccccn21 ZINC000573007376 1128650164 /nfs/dbraw/zinc/65/01/64/1128650164.db2.gz AGUGVFHADSFBLK-UHFFFAOYSA-N 0 1 297.406 3.847 20 0 CHADMN CC(C)CC1(c2nc(-c3ccc4[nH]cnc4c3)no2)CC1 ZINC000573138590 1128651196 /nfs/dbraw/zinc/65/11/96/1128651196.db2.gz UOCXSTDDHNXILX-UHFFFAOYSA-N 0 1 282.347 3.691 20 0 CHADMN Cc1cccc(CN[C@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000573283538 1128653047 /nfs/dbraw/zinc/65/30/47/1128653047.db2.gz RMZOARDVEMJKLP-GOSISDBHSA-N 0 1 286.394 3.527 20 0 CHADMN CC[C@H]1CCC[N@@H+](CC[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000573379498 1128653841 /nfs/dbraw/zinc/65/38/41/1128653841.db2.gz KAYUJWVSXDXFTN-DOTOQJQBSA-N 0 1 289.419 3.757 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2NCC2(C)CC2)C[C@H](C)O1 ZINC000573422004 1128654229 /nfs/dbraw/zinc/65/42/29/1128654229.db2.gz VPMIPOZBVJMNNA-GASCZTMLSA-N 0 1 288.435 3.508 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cc3c(s2)CCC3)o1 ZINC000631728481 1128655034 /nfs/dbraw/zinc/65/50/34/1128655034.db2.gz QCABYKYVYNSZHH-LLVKDONJSA-N 0 1 261.390 3.989 20 0 CHADMN CC(C)[C@H]1CN(C/C=C\c2ccc(F)cc2F)CCCO1 ZINC000556980405 1128655625 /nfs/dbraw/zinc/65/56/25/1128655625.db2.gz HNDMJLABNPBFDF-MAVJXHJTSA-N 0 1 295.373 3.725 20 0 CHADMN COc1cc([C@@H](C)N[C@H]2CCCOc3ccccc32)ccn1 ZINC000574926876 1128665219 /nfs/dbraw/zinc/66/52/19/1128665219.db2.gz PROOTAQTCAYKIS-CJNGLKHVSA-N 0 1 298.386 3.655 20 0 CHADMN CC(C)CCN1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000499251438 1128665257 /nfs/dbraw/zinc/66/52/57/1128665257.db2.gz PEGQBIMLENTWOP-OAHLLOKOSA-N 0 1 299.361 3.707 20 0 CHADMN CC(C)(C)Cc1nnc(-c2c(O)cccc2Cl)o1 ZINC001257899535 1128666707 /nfs/dbraw/zinc/66/67/07/1128666707.db2.gz WMCIMLHLYSSKQU-UHFFFAOYSA-N 0 1 266.728 3.684 20 0 CHADMN CC1(C)CC[C@@H](CN2CC[C@](F)(c3ccccc3)C2)O1 ZINC000574057298 1128661537 /nfs/dbraw/zinc/66/15/37/1128661537.db2.gz JYJIDGGFLHXSKM-DOTOQJQBSA-N 0 1 277.383 3.515 20 0 CHADMN CC[C@@H](C)CN(C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000600685288 1128677995 /nfs/dbraw/zinc/67/79/95/1128677995.db2.gz XLJQNPHKMLVDED-LLVKDONJSA-N 0 1 293.798 3.868 20 0 CHADMN Fc1ccc(F)c(CN2CC[C@H](c3ccco3)C2)c1 ZINC000600694309 1128678971 /nfs/dbraw/zinc/67/89/71/1128678971.db2.gz UNTJKCNKWMSIRB-NSHDSACASA-N 0 1 263.287 3.547 20 0 CHADMN C[C@H]1Cc2ccccc2[C@H]1NCc1nn(C)c2ccccc12 ZINC000600815638 1128683286 /nfs/dbraw/zinc/68/32/86/1128683286.db2.gz IJTSQNOCTSSUQS-DJJJIMSYSA-N 0 1 291.398 3.596 20 0 CHADMN COc1ccc(OC)c(CNCc2cccc(Cl)c2)c1 ZINC000048241775 1128689500 /nfs/dbraw/zinc/68/95/00/1128689500.db2.gz KEFPNKMQJDJWOF-UHFFFAOYSA-N 0 1 291.778 3.647 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@@H]1NCC1=Cc2ccccc2OC1 ZINC000577980463 1128701703 /nfs/dbraw/zinc/70/17/03/1128701703.db2.gz JRKXSTGOQLAGIW-ORAYPTAESA-N 0 1 293.366 3.574 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(F)c(OC)c(F)c2)C1 ZINC001138425487 1128700539 /nfs/dbraw/zinc/70/05/39/1128700539.db2.gz VBFHKEYFYOWTHI-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CC[C@@H](C)N(Cc1ccccc1)Cn1cc(Cl)cn1 ZINC000921186804 1128702772 /nfs/dbraw/zinc/70/27/72/1128702772.db2.gz YMFQCSRZWRFJIA-CYBMUJFWSA-N 0 1 277.799 3.795 20 0 CHADMN Fc1ccc(CN(Cc2ccc3c(n2)CCC3)C2CC2)cc1 ZINC000578118116 1128708129 /nfs/dbraw/zinc/70/81/29/1128708129.db2.gz UWHUYNADSTXWDS-UHFFFAOYSA-N 0 1 296.389 3.874 20 0 CHADMN CCc1ccc(CN(C)[C@H](C)c2ccc(F)cc2)nc1 ZINC000578146283 1128709625 /nfs/dbraw/zinc/70/96/25/1128709625.db2.gz JQEONNCISPYYTC-CYBMUJFWSA-N 0 1 272.367 3.976 20 0 CHADMN C[C@H]1Cc2cc(CN[C@H]3CCOc4ccccc43)ccc2O1 ZINC000921487867 1128710839 /nfs/dbraw/zinc/71/08/39/1128710839.db2.gz ZICYDWVDLPUSQN-GUYCJALGSA-N 0 1 295.382 3.623 20 0 CHADMN CN(C/C=C\c1ccc(Cl)cc1)Cc1ccccn1 ZINC000578176775 1128710868 /nfs/dbraw/zinc/71/08/68/1128710868.db2.gz VPQBULSWANDYPQ-PLNGDYQASA-N 0 1 272.779 3.880 20 0 CHADMN CC(C)CCc1ccccc1NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000578203337 1128711446 /nfs/dbraw/zinc/71/14/46/1128711446.db2.gz OPYAJRNWEGYDOS-AWEZNQCLSA-N 0 1 299.418 3.816 20 0 CHADMN FCCCCCN1CCc2c(Cl)cccc2C1 ZINC000578252140 1128713255 /nfs/dbraw/zinc/71/32/55/1128713255.db2.gz HBNZZIDZPDKJBL-UHFFFAOYSA-N 0 1 255.764 3.838 20 0 CHADMN CCCCN[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000542620734 1128717381 /nfs/dbraw/zinc/71/73/81/1128717381.db2.gz TUBKAUUBAGPUGO-LLVKDONJSA-N 0 1 277.343 3.635 20 0 CHADMN O=C([O-])C[N@@H+](CC1CCC(c2ccccc2)CC1)C1CC1 ZINC000578448319 1128718668 /nfs/dbraw/zinc/71/86/68/1128718668.db2.gz RBFBZOGOVNTSRC-UHFFFAOYSA-N 0 1 287.403 3.509 20 0 CHADMN CN(Cc1ccc(F)cc1F)C1CC(OC(C)(C)C)C1 ZINC000578465425 1128718744 /nfs/dbraw/zinc/71/87/44/1128718744.db2.gz KDUZWYIJWPYUBM-UHFFFAOYSA-N 0 1 283.362 3.743 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000779082249 1128724302 /nfs/dbraw/zinc/72/43/02/1128724302.db2.gz PKLCPNSHPJREOP-WBMJQRKESA-N 0 1 297.402 3.815 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ncnc2ccccc21 ZINC000578829027 1128730135 /nfs/dbraw/zinc/73/01/35/1128730135.db2.gz VOZPGDSVTPZXEF-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN CC[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])N1CCCC1 ZINC000184990565 1117746977 /nfs/dbraw/zinc/74/69/77/1117746977.db2.gz WUVADMIKXTUWMX-JSGCOSHPSA-N 0 1 296.842 3.571 20 0 CHADMN CCN1CCN(C(=O)CC(C)(C)C2CCCCC2)[C@H](C)C1 ZINC000622595891 1117748417 /nfs/dbraw/zinc/74/84/17/1117748417.db2.gz ITXPEKDYCPLIMH-OAHLLOKOSA-N 0 1 294.483 3.536 20 0 CHADMN CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000049480622 1117749965 /nfs/dbraw/zinc/74/99/65/1117749965.db2.gz XPPSWLHWHNEKBT-ZDUSSCGKSA-N 0 1 270.376 3.509 20 0 CHADMN CCCN(C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000049480622 1117749967 /nfs/dbraw/zinc/74/99/67/1117749967.db2.gz XPPSWLHWHNEKBT-ZDUSSCGKSA-N 0 1 270.376 3.509 20 0 CHADMN CC[C@@H](C(=O)N(CC(C)C)c1cccc(Cl)c1)N(C)C ZINC000622666404 1117752045 /nfs/dbraw/zinc/75/20/45/1117752045.db2.gz XTDRVHGSDGFSTR-HNNXBMFYSA-N 0 1 296.842 3.669 20 0 CHADMN CC[C@@H]1CN(CC)CCN1C(=O)C[C@H](C)C1CCCCC1 ZINC000622651286 1117753746 /nfs/dbraw/zinc/75/37/46/1117753746.db2.gz ALIHUCYJTHYOFX-DOTOQJQBSA-N 0 1 294.483 3.536 20 0 CHADMN Oc1cccc(CN[C@@H]2CCSc3ccc(F)cc32)c1 ZINC000035043673 1117763413 /nfs/dbraw/zinc/76/34/13/1117763413.db2.gz WFRJDMOAAKMKLI-OAHLLOKOSA-N 0 1 289.375 3.858 20 0 CHADMN Fc1cccc2c1SCC[C@@H]2NCc1ccncc1 ZINC000035047576 1117764091 /nfs/dbraw/zinc/76/40/91/1117764091.db2.gz NTMAZQBZMJLVBQ-AWEZNQCLSA-N 0 1 274.364 3.547 20 0 CHADMN CCCN(CCc1ccccn1)Cc1c(F)cccc1F ZINC000349026549 1117774206 /nfs/dbraw/zinc/77/42/06/1117774206.db2.gz GWSPMNYZIHWAPR-UHFFFAOYSA-N 0 1 290.357 3.815 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1ccccc1C1CC1 ZINC001139883596 1117775696 /nfs/dbraw/zinc/77/56/96/1117775696.db2.gz YIMCZOAVSSNSEO-KRWDZBQOSA-N 0 1 257.377 3.508 20 0 CHADMN Cc1ccc2ncc(CNCc3coc4ccccc34)n2c1 ZINC000339415455 1117776434 /nfs/dbraw/zinc/77/64/34/1117776434.db2.gz SKNPUHKTVKIVOH-UHFFFAOYSA-N 0 1 291.354 3.679 20 0 CHADMN CC(=O)[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2C)C1 ZINC001139887676 1117778098 /nfs/dbraw/zinc/77/80/98/1117778098.db2.gz XSYJXZPHNVZHPH-ZDUSSCGKSA-N 0 1 299.336 3.815 20 0 CHADMN CC(=O)[C@H]1CCCN(Cc2cc(C(F)(F)F)ccc2C)C1 ZINC001139887676 1117778102 /nfs/dbraw/zinc/77/81/02/1117778102.db2.gz XSYJXZPHNVZHPH-ZDUSSCGKSA-N 0 1 299.336 3.815 20 0 CHADMN C[C@H]1CN(c2cccc(F)c2)CCN1Cc1ccsc1 ZINC000430149307 1117782757 /nfs/dbraw/zinc/78/27/57/1117782757.db2.gz MTUZGVJUHSMLHE-ZDUSSCGKSA-N 0 1 290.407 3.598 20 0 CHADMN C[C@H]1CN(CCCCCF)C[C@@H](c2ccc(F)cc2)O1 ZINC000671241570 1117783874 /nfs/dbraw/zinc/78/38/74/1117783874.db2.gz SQTYSDKUOWQREU-BBRMVZONSA-N 0 1 283.362 3.727 20 0 CHADMN CCc1noc(C)c1CNCc1ccc2nc(C)ccc2c1 ZINC000339435959 1117785095 /nfs/dbraw/zinc/78/50/95/1117785095.db2.gz HIRJYMKVWDOSQZ-UHFFFAOYSA-N 0 1 295.386 3.692 20 0 CHADMN CCC[N@@H+](C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000063730574 1117791613 /nfs/dbraw/zinc/79/16/13/1117791613.db2.gz FNBQSOLXIAJENA-UHFFFAOYSA-N 0 1 273.376 3.859 20 0 CHADMN CCC[C@H](CN[C@H](C)c1cccnc1Cl)OCC ZINC000858450864 1117792896 /nfs/dbraw/zinc/79/28/96/1117792896.db2.gz KBCDZWRODMFWSV-VXGBXAGGSA-N 0 1 270.804 3.591 20 0 CHADMN O=[N+]([O-])c1ccc(CNCc2ccsc2)cc1Cl ZINC000185306235 1117809397 /nfs/dbraw/zinc/80/93/97/1117809397.db2.gz XOYBZLLANMNYMF-UHFFFAOYSA-N 0 1 282.752 3.600 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1nnc(C(C)(C)C)o1 ZINC000072775462 1117814422 /nfs/dbraw/zinc/81/44/22/1117814422.db2.gz PMQZETYLFGDCSI-QWHCGFSZSA-N 0 1 279.428 3.768 20 0 CHADMN CCCCN(CCCC)C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623182463 1117820381 /nfs/dbraw/zinc/82/03/81/1117820381.db2.gz QXEBSAPKXSHCPD-HIFRSBDPSA-N 0 1 291.439 3.504 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N1CCc2n[nH]cc2C1 ZINC000623242148 1117824726 /nfs/dbraw/zinc/82/47/26/1117824726.db2.gz QNKAUURGNTYWEL-NEPJUHHUSA-N 0 1 289.810 3.613 20 0 CHADMN Cc1ccc(C)c(CN2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000510075813 1117827028 /nfs/dbraw/zinc/82/70/28/1117827028.db2.gz WMFVLSGREHOHIB-KRWDZBQOSA-N 0 1 269.392 3.754 20 0 CHADMN Cc1ccc(C)c(CN2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000510075814 1117827711 /nfs/dbraw/zinc/82/77/11/1117827711.db2.gz WMFVLSGREHOHIB-QGZVFWFLSA-N 0 1 269.392 3.754 20 0 CHADMN C[C@@H]1C[C@H]1C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000683183292 1117841923 /nfs/dbraw/zinc/84/19/23/1117841923.db2.gz ZDDMXJDLTJJHLN-BXUZGUMPSA-N 0 1 291.354 3.824 20 0 CHADMN CCc1noc(CN[C@@H]2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000119077418 1117843738 /nfs/dbraw/zinc/84/37/38/1117843738.db2.gz MCUOOAULFHSTRC-HZPDHXFCSA-N 0 1 299.418 3.523 20 0 CHADMN CSC[C@@H]1CCCN(Cc2ccsc2Cl)C1 ZINC000430197481 1117848131 /nfs/dbraw/zinc/84/81/31/1117848131.db2.gz OKSCWYAFSXBVTH-SNVBAGLBSA-N 0 1 275.870 3.977 20 0 CHADMN CCOc1ccc(C[N@H+]2CCC[C@H](CSC)C2)cc1F ZINC000430198283 1117848757 /nfs/dbraw/zinc/84/87/57/1117848757.db2.gz QXSQTIZVNUSYBU-AWEZNQCLSA-N 0 1 297.439 3.799 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc2sccc2[nH]1 ZINC000430196807 1117849451 /nfs/dbraw/zinc/84/94/51/1117849451.db2.gz SKWUEPHEIFIAJT-UHFFFAOYSA-N 0 1 296.355 3.666 20 0 CHADMN CSc1ccc(F)cc1CNCc1ccnc(C)c1 ZINC000623437167 1117853645 /nfs/dbraw/zinc/85/36/45/1117853645.db2.gz ULOVJQVCCYPHIR-UHFFFAOYSA-N 0 1 276.380 3.541 20 0 CHADMN Cc1cc(CN2CCc3cc(O)ccc3C2)cc(C)c1F ZINC001143374416 1117860279 /nfs/dbraw/zinc/86/02/79/1117860279.db2.gz WSMYIXNIWKMPPP-UHFFFAOYSA-N 0 1 285.362 3.706 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc3[nH]c(=O)oc3c2)c(C)o1 ZINC000796816876 1117863199 /nfs/dbraw/zinc/86/31/99/1117863199.db2.gz MYKAOFIOJAYTLL-SNVBAGLBSA-N 0 1 286.331 3.594 20 0 CHADMN Cc1noc(C)c1[C@H](C)NC/C=C/c1ccccc1 ZINC000073007050 1117863663 /nfs/dbraw/zinc/86/36/63/1117863663.db2.gz FKQYJPBXSDKIES-PMDBQALLSA-N 0 1 256.349 3.655 20 0 CHADMN CO[C@H]1C[C@@H](N(C)Cc2cccc(Cl)c2Cl)C1 ZINC000510091852 1117874245 /nfs/dbraw/zinc/87/42/45/1117874245.db2.gz JNPXLJQRCWMNQG-PHIMTYICSA-N 0 1 274.191 3.603 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C3=CCCC3)[nH]c2c1 ZINC000178078181 1117884804 /nfs/dbraw/zinc/88/48/04/1117884804.db2.gz SXLNEHWMCAABCI-INIZCTEOSA-N 0 1 295.386 3.645 20 0 CHADMN C[C@@H](NCc1ccc(N2CCC(C)CC2)nc1)c1ccoc1 ZINC000178136656 1117888147 /nfs/dbraw/zinc/88/81/47/1117888147.db2.gz SJPOJKCBIFQXPL-OAHLLOKOSA-N 0 1 299.418 3.762 20 0 CHADMN COc1ccc(C(C)(C)NCc2ccc(C)cn2)cc1F ZINC000623675559 1117890565 /nfs/dbraw/zinc/89/05/65/1117890565.db2.gz DBWSCSGANAXODZ-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN CC1(C)Cc2cc(CNc3ccc4c[nH]nc4c3)ccc2O1 ZINC000387879148 1117892068 /nfs/dbraw/zinc/89/20/68/1117892068.db2.gz OSXZYUFOJFQTGN-UHFFFAOYSA-N 0 1 293.370 3.889 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccoc2)cc1Cl ZINC000178504897 1117893485 /nfs/dbraw/zinc/89/34/85/1117893485.db2.gz RKCDVSVITXLMAY-SNVBAGLBSA-N 0 1 265.740 3.792 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000178590164 1117893971 /nfs/dbraw/zinc/89/39/71/1117893971.db2.gz PVMZPKSJKVFUOD-ZJUUUORDSA-N 0 1 295.789 3.933 20 0 CHADMN CCN(Cc1cncnc1)[C@@H](C)c1cc2ccccc2o1 ZINC000119368076 1117894032 /nfs/dbraw/zinc/89/40/32/1117894032.db2.gz VMAJXUYINLZPLW-ZDUSSCGKSA-N 0 1 281.359 3.806 20 0 CHADMN CCCC(O)(CCC)CC(=O)Nc1cccc(Cl)c1O ZINC000178817368 1117897412 /nfs/dbraw/zinc/89/74/12/1117897412.db2.gz BLWDDAFMXWQKPW-UHFFFAOYSA-N 0 1 299.798 3.706 20 0 CHADMN OC[C@@H](N[C@@H]1CCc2c1cccc2Cl)c1ccsc1 ZINC000349409571 1117897925 /nfs/dbraw/zinc/89/79/25/1117897925.db2.gz KUPRSZNOXJETSJ-HUUCEWRRSA-N 0 1 293.819 3.712 20 0 CHADMN COCc1cccc(-c2nc3cccc(C)c3[nH]2)c1 ZINC000178964767 1117898274 /nfs/dbraw/zinc/89/82/74/1117898274.db2.gz RZMJQEGGVAESDG-UHFFFAOYSA-N 0 1 252.317 3.685 20 0 CHADMN Cc1oc([C@@H](C)[N@H+]2CCC[C@@H]2c2ccco2)cc1C(=O)[O-] ZINC000579240118 1128742600 /nfs/dbraw/zinc/74/26/00/1128742600.db2.gz BFHBVXLPMSWABF-ZWNOBZJWSA-N 0 1 289.331 3.777 20 0 CHADMN CCOC(=O)CCCCCNC1(C(F)F)CCCCC1 ZINC000510109518 1117902881 /nfs/dbraw/zinc/90/28/81/1117902881.db2.gz RPBRODLEZDAQKR-UHFFFAOYSA-N 0 1 291.382 3.668 20 0 CHADMN CC(C)C[C@H](C)c1nc(-c2ccn3cncc3c2)no1 ZINC000350296212 1117907876 /nfs/dbraw/zinc/90/78/76/1117907876.db2.gz CWXQNDFGTRBIBG-NSHDSACASA-N 0 1 270.336 3.534 20 0 CHADMN Cc1ccc(CN(C)Cc2cn(C)nc2C(C)(C)C)cc1 ZINC000179563998 1117907914 /nfs/dbraw/zinc/90/79/14/1117907914.db2.gz UODZPBFKTMNLQF-UHFFFAOYSA-N 0 1 285.435 3.658 20 0 CHADMN Cn1cc(CN(Cc2ccccc2)C2CC2)c(C(C)(C)C)n1 ZINC000179663065 1117910032 /nfs/dbraw/zinc/91/00/32/1117910032.db2.gz FVRVHPJSPQWLOO-UHFFFAOYSA-N 0 1 297.446 3.882 20 0 CHADMN Clc1ccc(CNCc2ccnn2C2CCC2)s1 ZINC000921505256 1117919315 /nfs/dbraw/zinc/91/93/15/1117919315.db2.gz ZUKFTRISIPEPQC-UHFFFAOYSA-N 0 1 281.812 3.613 20 0 CHADMN Cc1nc2c(o1)CC[N@H+]([C@@H](C)C[C@H](C)CC(C)C)C2 ZINC001258076657 1128744004 /nfs/dbraw/zinc/74/40/04/1128744004.db2.gz GTMJIAKJKWVZOI-OLZOCXBDSA-N 0 1 264.413 3.802 20 0 CHADMN Cc1nc2c(o1)CCN([C@@H](C)C[C@H](C)CC(C)C)C2 ZINC001258076657 1128744006 /nfs/dbraw/zinc/74/40/06/1128744006.db2.gz GTMJIAKJKWVZOI-OLZOCXBDSA-N 0 1 264.413 3.802 20 0 CHADMN F[C@H]1CCC[C@@H](c2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000351340243 1117936008 /nfs/dbraw/zinc/93/60/08/1117936008.db2.gz IWJGZWZBBFYMLS-MNOVXSKESA-N 0 1 286.310 3.609 20 0 CHADMN Cn1cnc(CNC(C)(C)c2ccc3ccccc3c2)c1 ZINC000623803835 1117937192 /nfs/dbraw/zinc/93/71/92/1117937192.db2.gz UMWRPXJOGGQVKY-UHFFFAOYSA-N 0 1 279.387 3.598 20 0 CHADMN Cc1cnc(CN2CC[C@@H]2c2ccccc2)c(C)c1 ZINC001238440307 1117940182 /nfs/dbraw/zinc/94/01/82/1117940182.db2.gz LQWJGCJPMLQFTL-QGZVFWFLSA-N 0 1 252.361 3.645 20 0 CHADMN Fc1cnccc1CNCc1ccccc1CC(F)(F)F ZINC000623821921 1117942580 /nfs/dbraw/zinc/94/25/80/1117942580.db2.gz MKJSVQAQPHPLJU-UHFFFAOYSA-N 0 1 298.283 3.615 20 0 CHADMN Cc1csc([C@@H](C)NCCOc2ccc(C)cc2C)n1 ZINC000623875852 1117947365 /nfs/dbraw/zinc/94/73/65/1117947365.db2.gz ZHXQFHQZSNPDFJ-CQSZACIVSA-N 0 1 290.432 3.798 20 0 CHADMN Cc1csc([C@H](C)NC[C@H](C)Oc2ccccc2F)n1 ZINC000623899657 1117950630 /nfs/dbraw/zinc/95/06/30/1117950630.db2.gz OUKVAPNIIYLGRF-RYUDHWBXSA-N 0 1 294.395 3.709 20 0 CHADMN FC[C@@H]1CCCN1Cc1ccc(OC(F)(F)F)cc1 ZINC000339667194 1117951392 /nfs/dbraw/zinc/95/13/92/1117951392.db2.gz AESKAFZXLFPCCX-NSHDSACASA-N 0 1 277.261 3.519 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc(-c3ccccc3)[nH]2)o1 ZINC000179618442 1117951829 /nfs/dbraw/zinc/95/18/29/1117951829.db2.gz CACGCNQXIONSGC-UHFFFAOYSA-N 0 1 281.359 3.610 20 0 CHADMN FC1(F)CCC[C@@H](N[C@@H]2CCCc3scnc32)C1 ZINC000623921302 1117956861 /nfs/dbraw/zinc/95/68/61/1117956861.db2.gz ROPYNWOTNLSRGY-NXEZZACHSA-N 0 1 272.364 3.688 20 0 CHADMN CC(C)[C@@]1(CO)CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000339709081 1117962948 /nfs/dbraw/zinc/96/29/48/1117962948.db2.gz AIJPCPOHFGYTMP-INIZCTEOSA-N 0 1 299.817 3.710 20 0 CHADMN CC(C)[C@@]1(CO)CCCN(Cc2ccc(Cl)cc2F)C1 ZINC000339709081 1117962952 /nfs/dbraw/zinc/96/29/52/1117962952.db2.gz AIJPCPOHFGYTMP-INIZCTEOSA-N 0 1 299.817 3.710 20 0 CHADMN CC[C@H](NCc1cc(C)nc(C)n1)c1cc(C)ccc1C ZINC000623980164 1117966331 /nfs/dbraw/zinc/96/63/31/1117966331.db2.gz YBSRGNFPPUYJQL-SFHVURJKSA-N 0 1 283.419 3.951 20 0 CHADMN CC/C=C/CN[C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623993134 1117966772 /nfs/dbraw/zinc/96/67/72/1117966772.db2.gz JULBOYFNCLGGNY-KVEVGEHQSA-N 0 1 269.392 3.704 20 0 CHADMN Cc1csc(CN[C@H](C)c2nc(C)cs2)c1 ZINC000623993806 1117967063 /nfs/dbraw/zinc/96/70/63/1117967063.db2.gz DHFNLBAYOFVOSP-SNVBAGLBSA-N 0 1 252.408 3.672 20 0 CHADMN CCOc1ccc(CN(CC)Cc2ccoc2)cc1OC ZINC000120023770 1117971464 /nfs/dbraw/zinc/97/14/64/1117971464.db2.gz CCMKFGUTVHLIIG-UHFFFAOYSA-N 0 1 289.375 3.709 20 0 CHADMN CC[C@@H]1CN(CCCOc2cccc3ccccc32)CCO1 ZINC000615455185 1128749904 /nfs/dbraw/zinc/74/99/04/1128749904.db2.gz IFIODCDPCNWWQQ-QGZVFWFLSA-N 0 1 299.414 3.720 20 0 CHADMN CC[C@@H](C)c1ccc([C@H](C)NCc2cnnn2CC)cc1 ZINC000624025700 1117974513 /nfs/dbraw/zinc/97/45/13/1117974513.db2.gz JVCHLTISXLRZEX-KGLIPLIRSA-N 0 1 286.423 3.662 20 0 CHADMN CC(C)[C@@H]1CN(Cc2sccc2Cl)CCCO1 ZINC000339815570 1117979083 /nfs/dbraw/zinc/97/90/83/1117979083.db2.gz CDYCRJSHZGEUCI-LBPRGKRZSA-N 0 1 273.829 3.648 20 0 CHADMN CC1=C[C@H](C)CN([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000430277891 1117987013 /nfs/dbraw/zinc/98/70/13/1117987013.db2.gz OQQZJQMGEMCFDY-WCQYABFASA-N 0 1 292.810 3.565 20 0 CHADMN Cc1ccc(C[N@@H+]2CC[C@](C(=O)[O-])(C(C)C)C2)c(Cl)c1 ZINC000232782637 1117989800 /nfs/dbraw/zinc/98/98/00/1117989800.db2.gz VNBIYEMLXKXXGV-MRXNPFEDSA-N 0 1 295.810 3.581 20 0 CHADMN CN(Cc1coc(-c2ccccc2F)n1)CC(C)(C)C ZINC000625135133 1117994556 /nfs/dbraw/zinc/99/45/56/1117994556.db2.gz VCDJNOHNKSHSCN-UHFFFAOYSA-N 0 1 276.355 3.959 20 0 CHADMN CC[C@H](C)[N@@H+](Cc1ccccc1)CC1(CC(=O)[O-])CC1 ZINC000387301656 1117995924 /nfs/dbraw/zinc/99/59/24/1117995924.db2.gz YPJDUWBCWOSCNG-AWEZNQCLSA-N 0 1 275.392 3.542 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1nnc(-c2cccc(F)c2)o1 ZINC000075719288 1117997807 /nfs/dbraw/zinc/99/78/07/1117997807.db2.gz GQGRNDRXZXYWES-RYUDHWBXSA-N 0 1 289.354 3.639 20 0 CHADMN CCCN(Cc1ccc(C)cc1)C(=O)c1cc(C(C)C)[nH]n1 ZINC000615431570 1128748739 /nfs/dbraw/zinc/74/87/39/1128748739.db2.gz OSJKREGYXPQRQY-UHFFFAOYSA-N 0 1 299.418 3.894 20 0 CHADMN C[C@]1(CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)C[C@H]2C[C@H]2C1 ZINC000624200914 1118005634 /nfs/dbraw/zinc/00/56/34/1118005634.db2.gz VNTACBWGKGOUII-KKBFJZEXSA-N 0 1 299.393 3.664 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649903574 1118012005 /nfs/dbraw/zinc/01/20/05/1118012005.db2.gz QLXQDZRMKREWRF-ZANVPECISA-N 0 1 273.273 3.757 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CC[C@]2(CC2(F)F)C1 ZINC000649903574 1118012010 /nfs/dbraw/zinc/01/20/10/1118012010.db2.gz QLXQDZRMKREWRF-ZANVPECISA-N 0 1 273.273 3.757 20 0 CHADMN CCc1nnc(SCCOc2ccc3ccccc3c2)[nH]1 ZINC000047439022 1118013481 /nfs/dbraw/zinc/01/34/81/1118013481.db2.gz NWQNIEZPZFDEBK-UHFFFAOYSA-N 0 1 299.399 3.691 20 0 CHADMN CCc1n[nH]c(SCCOc2ccc3ccccc3c2)n1 ZINC000047439022 1118013484 /nfs/dbraw/zinc/01/34/84/1118013484.db2.gz NWQNIEZPZFDEBK-UHFFFAOYSA-N 0 1 299.399 3.691 20 0 CHADMN COc1ccccc1[C@H](C)N(C)c1cc(C)cc(C)n1 ZINC001167105090 1118018240 /nfs/dbraw/zinc/01/82/40/1118018240.db2.gz DEVVWWGFJIATSN-AWEZNQCLSA-N 0 1 270.376 3.904 20 0 CHADMN C[C@H]1CCC[C@@H]1CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000579508672 1128750798 /nfs/dbraw/zinc/75/07/98/1128750798.db2.gz AKXLUNMTLDLIPD-DTWKUNHWSA-N 0 1 285.746 3.950 20 0 CHADMN CC[C@@H](NCc1cccc2ccccc21)c1nccn1C ZINC000182681188 1118027943 /nfs/dbraw/zinc/02/79/43/1118027943.db2.gz GBIYSOQGJAQTGD-QGZVFWFLSA-N 0 1 279.387 3.814 20 0 CHADMN CCC(C)(C)NC(=O)CN(C)[C@H](C)c1ccc(C)cc1C ZINC000615463960 1128751018 /nfs/dbraw/zinc/75/10/18/1128751018.db2.gz OCICODDNCGWIJE-OAHLLOKOSA-N 0 1 290.451 3.601 20 0 CHADMN Cc1ccc([C@H](C)N(C)CC(=O)Nc2ccccc2)c(C)c1 ZINC000615463791 1128751244 /nfs/dbraw/zinc/75/12/44/1128751244.db2.gz OCGWSZWUYQZJFW-INIZCTEOSA-N 0 1 296.414 3.935 20 0 CHADMN CCO[C@@H](C)c1nc(CN2CCC[C@@H]2C2CC2)cs1 ZINC000076726951 1118033368 /nfs/dbraw/zinc/03/33/68/1118033368.db2.gz KHBMWUKKWRUCMI-SMDDNHRTSA-N 0 1 280.437 3.615 20 0 CHADMN CCN(Cc1cnn(CC(C)C)c1)Cc1ccccc1 ZINC000182950734 1118033479 /nfs/dbraw/zinc/03/34/79/1118033479.db2.gz MTHCYPVQMGEPEI-UHFFFAOYSA-N 0 1 271.408 3.561 20 0 CHADMN Clc1cc(-c2ccccc2)cc(N=C2CCOC2)n1 ZINC001203386962 1118034116 /nfs/dbraw/zinc/03/41/16/1118034116.db2.gz SJSFXNMVUFBLME-UHFFFAOYSA-N 0 1 272.735 3.728 20 0 CHADMN CC[C@@H]1CCC[C@@H](CN(C)Cc2cc(C)on2)C1 ZINC000182999847 1118034263 /nfs/dbraw/zinc/03/42/63/1118034263.db2.gz VLVHUTHXGAOFFO-ZIAGYGMSSA-N 0 1 250.386 3.631 20 0 CHADMN CC(C)Cn1cc(CN2C[C@H](C)[C@H]2c2ccccc2)cn1 ZINC000183397223 1118044101 /nfs/dbraw/zinc/04/41/01/1118044101.db2.gz GOVWAQKOQPULEI-YJBOKZPZSA-N 0 1 283.419 3.732 20 0 CHADMN CCc1nc([C@@H](C)SC2CCC(F)(F)CC2)n[nH]1 ZINC000901741786 1118046780 /nfs/dbraw/zinc/04/67/80/1118046780.db2.gz XUOHOPCZYXVUKC-MRVPVSSYSA-N 0 1 275.368 3.739 20 0 CHADMN CC(C)c1cnc(CN[C@H]2CC(C)(C)OC2(C)C)s1 ZINC000184113434 1118051828 /nfs/dbraw/zinc/05/18/28/1118051828.db2.gz MGOUMSUUKIFAJP-LBPRGKRZSA-N 0 1 282.453 3.702 20 0 CHADMN CC(C)(C)C1CCN(Cc2cc(O)ccc2F)CC1 ZINC001140050478 1118055667 /nfs/dbraw/zinc/05/56/67/1118055667.db2.gz LYRABKMJGQPBPA-UHFFFAOYSA-N 0 1 265.372 3.789 20 0 CHADMN Cc1cnc([C@H](C)NCCOc2ccccc2Cl)s1 ZINC000185035820 1118059216 /nfs/dbraw/zinc/05/92/16/1118059216.db2.gz RMYHNUURQXHVGZ-NSHDSACASA-N 0 1 296.823 3.835 20 0 CHADMN Fc1ccc(CN2CCC3(CCC3)C2)c(Br)c1 ZINC000380323565 1118066819 /nfs/dbraw/zinc/06/68/19/1118066819.db2.gz HJPBIFHQNXHHPX-UHFFFAOYSA-N 0 1 298.199 3.964 20 0 CHADMN COCc1cccc(CN[C@@H](C)c2ccccc2F)c1 ZINC000038010536 1118067195 /nfs/dbraw/zinc/06/71/95/1118067195.db2.gz BAMQZDYWYJNELK-ZDUSSCGKSA-N 0 1 273.351 3.823 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)N[C@H](C)c1cn[nH]c1 ZINC000380459187 1118070834 /nfs/dbraw/zinc/07/08/34/1118070834.db2.gz RERKNLTWAKOQLC-CHWSQXEVSA-N 0 1 273.380 3.609 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)N[C@H](C)c1cn[nH]c1 ZINC000380459193 1118070975 /nfs/dbraw/zinc/07/09/75/1118070975.db2.gz RERKNLTWAKOQLC-OLZOCXBDSA-N 0 1 273.380 3.609 20 0 CHADMN O=C(C[C@H]1CCCN1Cc1ccoc1)c1ccccc1 ZINC000093668043 1118071353 /nfs/dbraw/zinc/07/13/53/1118071353.db2.gz HXROVWYKVBVVET-MRXNPFEDSA-N 0 1 269.344 3.517 20 0 CHADMN COc1ccc(CN(C)CC2CCC2)c(Br)c1 ZINC000579646052 1128754076 /nfs/dbraw/zinc/75/40/76/1128754076.db2.gz FNVGJLPANSLCEG-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN Cc1nc(F)ccc1CNCc1cccc(OC(C)C)c1 ZINC000785426765 1118076997 /nfs/dbraw/zinc/07/69/97/1118076997.db2.gz SJBCLLPDMBYCKI-UHFFFAOYSA-N 0 1 288.366 3.606 20 0 CHADMN CC(C)Oc1ccc(CN2CCCC[C@@H](F)C2)cc1 ZINC001204452465 1118080654 /nfs/dbraw/zinc/08/06/54/1118080654.db2.gz KCSRUIUHSVBIQP-OAHLLOKOSA-N 0 1 265.372 3.798 20 0 CHADMN CCCC1CCC([N@H+](C)Cc2ncccc2[O-])CC1 ZINC000579646387 1128754339 /nfs/dbraw/zinc/75/43/39/1128754339.db2.gz LMCWBDLROTWVQB-UHFFFAOYSA-N 0 1 262.397 3.578 20 0 CHADMN CCCC1CCC([N@@H+](C)Cc2ncccc2[O-])CC1 ZINC000579646387 1128754342 /nfs/dbraw/zinc/75/43/42/1128754342.db2.gz LMCWBDLROTWVQB-UHFFFAOYSA-N 0 1 262.397 3.578 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccccc2C(=O)[O-])CCc2ccccc21 ZINC000404763410 1118090644 /nfs/dbraw/zinc/09/06/44/1118090644.db2.gz KJULMKMHUPRJEU-CQSZACIVSA-N 0 1 295.382 3.547 20 0 CHADMN Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[C@@H](C)C2)c(C)c1 ZINC000340156580 1118091785 /nfs/dbraw/zinc/09/17/85/1118091785.db2.gz IMFKCBGOTRLZLO-MLGOLLRUSA-N 0 1 288.435 3.671 20 0 CHADMN CC(C)c1cccc(Nc2ccc3nc[nH]c3c2)n1 ZINC001209843302 1118097700 /nfs/dbraw/zinc/09/77/00/1118097700.db2.gz WEMMRMCPZRHKDI-UHFFFAOYSA-N 0 1 252.321 3.825 20 0 CHADMN CO[C@H](CNc1ccc2cnccc2c1)CC(C)C ZINC000653469202 1118114878 /nfs/dbraw/zinc/11/48/78/1118114878.db2.gz RIZYNTZFEUASEN-INIZCTEOSA-N 0 1 258.365 3.708 20 0 CHADMN CO[C@H](C)c1cccc(-n2c(N)nc3c2cccc3C)c1 ZINC001209945603 1118115405 /nfs/dbraw/zinc/11/54/05/1118115405.db2.gz FMARXIDAPRXUJA-GFCCVEGCSA-N 0 1 281.359 3.624 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1cccc(Cl)c1F ZINC001238959194 1118119342 /nfs/dbraw/zinc/11/93/42/1118119342.db2.gz WFCDAISZVQDGOS-UHFFFAOYSA-N 0 1 265.650 3.557 20 0 CHADMN FC(F)(F)c1ccnc(CN2CCC3(CCCC3)C2)c1 ZINC001140108360 1118120798 /nfs/dbraw/zinc/12/07/98/1118120798.db2.gz UFUIEDIAKSMCQY-UHFFFAOYSA-N 0 1 284.325 3.867 20 0 CHADMN COc1cc(CN[C@H](C)c2ccoc2)ccc1OC(C)C ZINC000764859897 1118122126 /nfs/dbraw/zinc/12/21/26/1118122126.db2.gz OCDNQZCWJNYDJQ-CYBMUJFWSA-N 0 1 289.375 3.926 20 0 CHADMN C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cc(Cl)ccc1[O-] ZINC000187842005 1128757313 /nfs/dbraw/zinc/75/73/13/1128757313.db2.gz ZPHWYIDNVAWRIM-ZYHUDNBSSA-N 0 1 283.799 3.654 20 0 CHADMN CCC1(CNC(=O)c2c(C)n[nH]c2C(C)C)CCCC1 ZINC000154862510 1118140207 /nfs/dbraw/zinc/14/02/07/1118140207.db2.gz LDZBQXOFIKZPJG-UHFFFAOYSA-N 0 1 277.412 3.542 20 0 CHADMN COc1cccc(-c2nc3cc(C)cc(C)c3[nH]2)c1F ZINC000397425892 1118142887 /nfs/dbraw/zinc/14/28/87/1118142887.db2.gz KCYNOUYBPORQRO-UHFFFAOYSA-N 0 1 270.307 3.994 20 0 CHADMN Cc1occc1CN[C@H](C)c1cnn(-c2ccccc2)c1C ZINC000765395337 1118148515 /nfs/dbraw/zinc/14/85/15/1118148515.db2.gz HDSYYYTWBMMGFW-CYBMUJFWSA-N 0 1 295.386 3.933 20 0 CHADMN CC[C@H](N[C@@H](C)c1ncc[nH]1)c1cc(C)ccc1C ZINC000528021906 1118150814 /nfs/dbraw/zinc/15/08/14/1118150814.db2.gz TYFMZMIAGRBGAG-ZFWWWQNUSA-N 0 1 257.381 3.828 20 0 CHADMN CC[C@H](C)[C@H](CN(Cc1ccc(F)cc1F)C1CC1)OC ZINC001205208904 1118156719 /nfs/dbraw/zinc/15/67/19/1118156719.db2.gz QFEKDNNXZLJQBI-SJCJKPOMSA-N 0 1 297.389 3.990 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000131697686 1118157610 /nfs/dbraw/zinc/15/76/10/1118157610.db2.gz PQUAMYSZRHDOEV-CQSZACIVSA-N 0 1 297.345 3.844 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2CCc3ccc(F)cc32)c(C)n1 ZINC000089552407 1118163553 /nfs/dbraw/zinc/16/35/53/1118163553.db2.gz NXFUHJBCTQCFNN-PIGZYNQJSA-N 0 1 285.366 3.571 20 0 CHADMN Cc1cccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)c1 ZINC000014206217 1118164460 /nfs/dbraw/zinc/16/44/60/1118164460.db2.gz IZKZAHSLQOAIDR-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000079349411 1118166255 /nfs/dbraw/zinc/16/62/55/1118166255.db2.gz YODQFFBOGBNCQO-HOCLYGCPSA-N 0 1 275.392 3.570 20 0 CHADMN O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCCC1 ZINC000016445152 1118168471 /nfs/dbraw/zinc/16/84/71/1118168471.db2.gz ADPKGIMUNZBVFD-KRWDZBQOSA-N 0 1 298.361 3.601 20 0 CHADMN FC(F)[C@H]1CCCCN1[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000639138128 1118174540 /nfs/dbraw/zinc/17/45/40/1118174540.db2.gz PKLMJTZNPDJGBT-OLZOCXBDSA-N 0 1 298.381 3.546 20 0 CHADMN CCc1ccc(NC(=O)CN(C)[C@H](C)c2ccccc2)cc1 ZINC000023039429 1118178414 /nfs/dbraw/zinc/17/84/14/1118178414.db2.gz INQVBFAZWALMBP-OAHLLOKOSA-N 0 1 296.414 3.881 20 0 CHADMN CCOc1ccc2nc(SCCc3ccccn3)[nH]c2c1 ZINC000023139490 1118178845 /nfs/dbraw/zinc/17/88/45/1118178845.db2.gz TXJBUQKIUNDXEK-UHFFFAOYSA-N 0 1 299.399 3.691 20 0 CHADMN C[C@@H]1CCCN(CC(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000023695473 1118180278 /nfs/dbraw/zinc/18/02/78/1118180278.db2.gz AQMNEFKOBINKQJ-CQSZACIVSA-N 0 1 288.435 3.655 20 0 CHADMN Cc1nc([C@@H](C)N[C@H](C)Cc2c(C)noc2C)c(C)s1 ZINC000676491737 1118182361 /nfs/dbraw/zinc/18/23/61/1118182361.db2.gz KHJHOKKAUYDASC-PSASIEDQSA-N 0 1 293.436 3.647 20 0 CHADMN CCOc1ncccc1CN[C@H]1CCc2cc(C)cc(C)c21 ZINC000655687197 1118182913 /nfs/dbraw/zinc/18/29/13/1118182913.db2.gz LZZZGVFZZFUBPF-KRWDZBQOSA-N 0 1 296.414 3.874 20 0 CHADMN CC[C@H](NCC1(C(F)(F)F)CCCC1)c1nccn1C ZINC000624273045 1118184568 /nfs/dbraw/zinc/18/45/68/1118184568.db2.gz VRUOEJABFXPXFY-NSHDSACASA-N 0 1 289.345 3.584 20 0 CHADMN C[C@H]1C[C@@H](NCC2(C(F)(F)F)CCCC2)c2nccn21 ZINC000624272815 1118184597 /nfs/dbraw/zinc/18/45/97/1118184597.db2.gz QLLYWWXSYBPVES-WDEREUQCSA-N 0 1 287.329 3.601 20 0 CHADMN c1c2ccccc2oc1CNCc1ccc2nccnc2c1 ZINC001648811590 1118188957 /nfs/dbraw/zinc/18/89/57/1118188957.db2.gz QRSXLHYVHDSNFM-UHFFFAOYSA-N 0 1 289.338 3.666 20 0 CHADMN CCC[C@@H](N[C@H](C)c1ccnc(OC)c1)c1ccccn1 ZINC000655707964 1118191834 /nfs/dbraw/zinc/19/18/34/1118191834.db2.gz BVRIZFSMCNLTGS-CZUORRHYSA-N 0 1 285.391 3.677 20 0 CHADMN CCC[C@H](N[C@@H](C)c1ccnc(OC)c1)c1ccccn1 ZINC000655707962 1118192039 /nfs/dbraw/zinc/19/20/39/1118192039.db2.gz BVRIZFSMCNLTGS-BBRMVZONSA-N 0 1 285.391 3.677 20 0 CHADMN C[C@H]1CCN(Cc2c(Cl)cccc2Br)C1 ZINC001137810054 1118193864 /nfs/dbraw/zinc/19/38/64/1118193864.db2.gz VGOCXHFBSAPORI-VIFPVBQESA-N 0 1 288.616 3.944 20 0 CHADMN Cc1cc2c(c(C)c1)[C@H]([NH2+][C@@H]1CCCc3c[nH]nc31)CC2 ZINC000655732730 1118196992 /nfs/dbraw/zinc/19/69/92/1118196992.db2.gz FKTLFALRHZCECG-HZPDHXFCSA-N 0 1 281.403 3.681 20 0 CHADMN Cc1cc2c(c(C)c1)[C@H](N[C@@H]1CCCc3c[nH]nc31)CC2 ZINC000655732730 1118196994 /nfs/dbraw/zinc/19/69/94/1118196994.db2.gz FKTLFALRHZCECG-HZPDHXFCSA-N 0 1 281.403 3.681 20 0 CHADMN COc1ncc(CN[C@@H](c2ccc(F)cc2)C(C)C)s1 ZINC000312544575 1118197663 /nfs/dbraw/zinc/19/76/63/1118197663.db2.gz LKFLRPNIRGHQMX-CQSZACIVSA-N 0 1 294.395 3.778 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@@H]1CCCc2sccc21 ZINC000655757833 1118204490 /nfs/dbraw/zinc/20/44/90/1118204490.db2.gz YFRXHYZQSOMPJM-BXUZGUMPSA-N 0 1 273.405 3.575 20 0 CHADMN C[C@H]1CC[C@@H](NCc2c(F)cc(F)c(F)c2F)CS1 ZINC000655761912 1118205154 /nfs/dbraw/zinc/20/51/54/1118205154.db2.gz QOMDTQJPMQQKMP-JGVFFNPUSA-N 0 1 293.329 3.617 20 0 CHADMN C[C@H](N[C@@H]1CCCn2ccnc21)c1cccc(C2CC2)c1 ZINC000655771327 1118207952 /nfs/dbraw/zinc/20/79/52/1118207952.db2.gz HRRANDDKUTWSEB-SUMWQHHRSA-N 0 1 281.403 3.946 20 0 CHADMN Fc1cc(CNCc2cc3ccccc3[nH]2)cc(F)c1F ZINC000076398489 1118208824 /nfs/dbraw/zinc/20/88/24/1118208824.db2.gz HYGGHNIPAXPXKG-UHFFFAOYSA-N 0 1 290.288 3.875 20 0 CHADMN COC(=O)c1cc(CN2CCC[C@@H]2c2ccccc2)oc1C ZINC000028171915 1118212834 /nfs/dbraw/zinc/21/28/34/1118212834.db2.gz WYDUJDVQQGWQDV-QGZVFWFLSA-N 0 1 299.370 3.712 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCc3ccccc3NC2=O)oc1C ZINC000655792090 1118213660 /nfs/dbraw/zinc/21/36/60/1118213660.db2.gz VXHGFYNCNHMJAB-LRDDRELGSA-N 0 1 298.386 3.501 20 0 CHADMN Brc1c2ccccc2oc1CN[C@H]1CC12CC2 ZINC000655795716 1118214764 /nfs/dbraw/zinc/21/47/64/1118214764.db2.gz FIFSJYQJERNHHN-LBPRGKRZSA-N 0 1 292.176 3.837 20 0 CHADMN COc1cccc(CNc2nccn2-c2ccccc2)c1F ZINC000671673450 1118224032 /nfs/dbraw/zinc/22/40/32/1118224032.db2.gz BWBDVTNCCREGNS-UHFFFAOYSA-N 0 1 297.333 3.632 20 0 CHADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000033429202 1118227576 /nfs/dbraw/zinc/22/75/76/1118227576.db2.gz BXXBAUSDIQDPBH-QGZVFWFLSA-N 0 1 297.354 3.528 20 0 CHADMN CCOc1cccc([C@H](C)NCc2cnn(C3CCC3)c2)c1 ZINC000921621693 1118229274 /nfs/dbraw/zinc/22/92/74/1118229274.db2.gz CTUIOKFRGIPOHJ-AWEZNQCLSA-N 0 1 299.418 3.858 20 0 CHADMN C[C@H](Cc1ccccn1)NCc1csc(C(C)(C)C)n1 ZINC000655842379 1118235269 /nfs/dbraw/zinc/23/52/69/1118235269.db2.gz AWMBSMMRNQCDHG-GFCCVEGCSA-N 0 1 289.448 3.556 20 0 CHADMN CC1(CC(=O)NCc2ccc3nc[nH]c3c2)CCCCC1 ZINC000615791637 1128764386 /nfs/dbraw/zinc/76/43/86/1128764386.db2.gz CEPIIPWFRHDTEZ-UHFFFAOYSA-N 0 1 285.391 3.540 20 0 CHADMN CCCc1nc(CN2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000042651830 1118237630 /nfs/dbraw/zinc/23/76/30/1118237630.db2.gz FSQLUSCAFZLSIW-RYUDHWBXSA-N 0 1 252.427 3.574 20 0 CHADMN Clc1ccc([C@H]2CN(CCC3CC3)CCO2)cc1 ZINC000409445548 1118243169 /nfs/dbraw/zinc/24/31/69/1118243169.db2.gz PDYPLGDVCYZBTD-OAHLLOKOSA-N 0 1 265.784 3.513 20 0 CHADMN C[C@@H](NCc1ccccn1)c1cccc(N2CCCC2)c1 ZINC000088764281 1118246615 /nfs/dbraw/zinc/24/66/15/1118246615.db2.gz MJBOSLJEDBVBMX-OAHLLOKOSA-N 0 1 281.403 3.533 20 0 CHADMN C=Cc1ccc(C(=O)Nc2ccc(F)c(F)c2O)cc1 ZINC001648840533 1118250297 /nfs/dbraw/zinc/25/02/97/1118250297.db2.gz XRHIVRYUEVGFDV-UHFFFAOYSA-N 0 1 275.254 3.566 20 0 CHADMN CCc1noc(C)c1CN[C@H](C)c1cc2c(s1)CCC2 ZINC000340441127 1118250805 /nfs/dbraw/zinc/25/08/05/1118250805.db2.gz GXOCBACRZDPJIC-SNVBAGLBSA-N 0 1 290.432 3.946 20 0 CHADMN CCc1noc(C)c1CN[C@H]1c2ccccc2C[C@H]1C ZINC000340442144 1118251386 /nfs/dbraw/zinc/25/13/86/1118251386.db2.gz NFZZANLPPUAEMW-PIGZYNQJSA-N 0 1 270.376 3.569 20 0 CHADMN CCCC[C@H](CC)CCN1CCOC[C@H]1[C@H]1CCCC1=O ZINC000472630759 1118263305 /nfs/dbraw/zinc/26/33/05/1118263305.db2.gz OPAYGPIRNZKEFW-BBWFWOEESA-N 0 1 295.467 3.663 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](C)c2ccccc2N(C)C)ccn1 ZINC000348637507 1118268286 /nfs/dbraw/zinc/26/82/86/1118268286.db2.gz CNXNVXMUAAZUAS-KGLIPLIRSA-N 0 1 299.418 3.568 20 0 CHADMN Cc1ccc(CN2CCC[C@H](n3ccnc3)C2)c(Cl)c1 ZINC000683665958 1118269177 /nfs/dbraw/zinc/26/91/77/1118269177.db2.gz XFVRXKOZKHVUPM-HNNXBMFYSA-N 0 1 289.810 3.682 20 0 CHADMN COC[C@H]1CCCN1CCc1cc(Cl)cc(Cl)c1 ZINC000683667172 1118269767 /nfs/dbraw/zinc/26/97/67/1118269767.db2.gz QVLKEUHSZCWEFM-CQSZACIVSA-N 0 1 288.218 3.647 20 0 CHADMN COc1cccc([C@@H](C)NCc2cc3cnccc3o2)c1 ZINC001648882242 1118270307 /nfs/dbraw/zinc/27/03/07/1118270307.db2.gz CTFNVDKMHUXGLE-GFCCVEGCSA-N 0 1 282.343 3.687 20 0 CHADMN CC(C)Oc1ncccc1CNCc1ccc2occc2c1 ZINC000671706966 1118278433 /nfs/dbraw/zinc/27/84/33/1118278433.db2.gz COEMCLCWHQBDOV-UHFFFAOYSA-N 0 1 296.370 3.905 20 0 CHADMN Cc1cc(C)c(NC(=O)CN(C)CCC(C)C)c(C)c1 ZINC000057566678 1118281669 /nfs/dbraw/zinc/28/16/69/1118281669.db2.gz PGNFPUZPQBLNQY-UHFFFAOYSA-N 0 1 276.424 3.528 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc3c(n2)CCCC3)c(C)n1 ZINC000683693665 1118290017 /nfs/dbraw/zinc/29/00/17/1118290017.db2.gz ADPNYDWGRHIRMV-AWEZNQCLSA-N 0 1 295.430 3.823 20 0 CHADMN CCCN(CC(=O)N(C)c1ccccc1)Cc1ccccc1 ZINC000058886710 1118293526 /nfs/dbraw/zinc/29/35/26/1118293526.db2.gz CBHREFZQJIVIBL-UHFFFAOYSA-N 0 1 296.414 3.562 20 0 CHADMN Cc1cnn(-c2ccncc2NC[C@H](C)c2ccccc2)c1 ZINC000683707570 1118299424 /nfs/dbraw/zinc/29/94/24/1118299424.db2.gz ORKGFAPWKUYEJP-HNNXBMFYSA-N 0 1 292.386 3.791 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCC3(CCC3)CC2)n1 ZINC000671729547 1118315287 /nfs/dbraw/zinc/31/52/87/1118315287.db2.gz HGHJRGZMNWHNON-UHFFFAOYSA-N 0 1 297.402 3.811 20 0 CHADMN Cc1cccc(-c2noc(CN3CCC4(CCC4)CC3)n2)c1 ZINC000671729710 1118316282 /nfs/dbraw/zinc/31/62/82/1118316282.db2.gz XOBVKWWMDUGZKS-UHFFFAOYSA-N 0 1 297.402 3.811 20 0 CHADMN COc1cc([C@@H](C)NCc2cc3ccccc3o2)ccn1 ZINC000340524483 1118316923 /nfs/dbraw/zinc/31/69/23/1118316923.db2.gz ICYAFHHZSOQFHK-GFCCVEGCSA-N 0 1 282.343 3.687 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN(CC(C)C)C1CC1 ZINC000063493161 1118317193 /nfs/dbraw/zinc/31/71/93/1118317193.db2.gz VRZRQMONMGNBQK-UHFFFAOYSA-N 0 1 284.403 3.779 20 0 CHADMN C[C@H]1CC(C)(C)CC[C@@H]1NCc1ncn(-c2ccccc2)n1 ZINC000340524807 1118317405 /nfs/dbraw/zinc/31/74/05/1118317405.db2.gz KSQITGTYTZBGOV-HOCLYGCPSA-N 0 1 298.434 3.572 20 0 CHADMN CC(C)C[C@H](N[C@@H]1CCC[C@@H]1F)c1ccccn1 ZINC000340524452 1118317704 /nfs/dbraw/zinc/31/77/04/1118317704.db2.gz SOOVXDHNTVFLKH-GUTXKFCHSA-N 0 1 250.361 3.649 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1ccc2cnccc2c1 ZINC000671730896 1118318404 /nfs/dbraw/zinc/31/84/04/1118318404.db2.gz QNSDKZPGXXXIAY-UHFFFAOYSA-N 0 1 295.386 3.865 20 0 CHADMN Cc1ccc(OCCN(C)Cc2cccc(Cl)n2)cc1 ZINC000075612374 1118320745 /nfs/dbraw/zinc/32/07/45/1118320745.db2.gz HELIASBAVVEEDJ-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H]1F)CCCO2 ZINC000340531732 1118322033 /nfs/dbraw/zinc/32/20/33/1118322033.db2.gz PVOAZWJRRINMEK-MJBXVCDLSA-N 0 1 267.319 3.520 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H]1F)CCS2 ZINC000340534236 1118327024 /nfs/dbraw/zinc/32/70/24/1118327024.db2.gz ZBPHMWCCNQXSNG-XQQFMLRXSA-N 0 1 269.360 3.843 20 0 CHADMN CN(CCC(F)(F)F)Cc1cccc2cccnc21 ZINC000064635011 1118327241 /nfs/dbraw/zinc/32/72/41/1118327241.db2.gz FLEFOKUAPJLDCU-UHFFFAOYSA-N 0 1 268.282 3.619 20 0 CHADMN Fc1cccnc1CN1CCC[C@H]1c1ccccc1 ZINC001207033543 1118329753 /nfs/dbraw/zinc/32/97/53/1118329753.db2.gz XOUJLNHVXHJQJR-INIZCTEOSA-N 0 1 256.324 3.558 20 0 CHADMN Cc1cc(CN(Cc2ccc(C)s2)C(C)C)on1 ZINC000065161989 1118332909 /nfs/dbraw/zinc/33/29/09/1118332909.db2.gz QXBUUEVOLDSHJG-UHFFFAOYSA-N 0 1 264.394 3.764 20 0 CHADMN CCCC[C@@H](C)[C@@H](C)NCc1ncn(-c2ccccc2)n1 ZINC000340540572 1118338287 /nfs/dbraw/zinc/33/82/87/1118338287.db2.gz GYGDVBMIDVJGSK-HUUCEWRRSA-N 0 1 286.423 3.572 20 0 CHADMN CN(c1ccccc1)C1CCN(Cc2ccccc2F)CC1 ZINC000065956100 1118340297 /nfs/dbraw/zinc/34/02/97/1118340297.db2.gz HYSIPZJIBRAAET-UHFFFAOYSA-N 0 1 298.405 3.927 20 0 CHADMN Clc1cccc2c1CC[C@H]2N[C@@H]1CCCc2c[nH]nc21 ZINC000537956513 1118342182 /nfs/dbraw/zinc/34/21/82/1118342182.db2.gz UGTDWJJVBWYMOZ-HUUCEWRRSA-N 0 1 287.794 3.718 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccoc1 ZINC000671753230 1118343393 /nfs/dbraw/zinc/34/33/93/1118343393.db2.gz HGZMEJXJVIGYGB-UWVGGRQHSA-N 0 1 272.304 3.538 20 0 CHADMN CC(C)O[C@H](CN[C@@H]1C[C@@H](C)n2ccnc21)c1ccccc1 ZINC000639247302 1118350220 /nfs/dbraw/zinc/35/02/20/1118350220.db2.gz IIIBSHKFWIXIIR-DJIMGWMZSA-N 0 1 299.418 3.645 20 0 CHADMN C[C@@H]1CCCN(Cc2ncc(C(C)(C)C)o2)CC1 ZINC000068828879 1118365772 /nfs/dbraw/zinc/36/57/72/1118365772.db2.gz XJTWWCHWRRGVJN-GFCCVEGCSA-N 0 1 250.386 3.594 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCCNCc1ccc(Cl)o1 ZINC000069786080 1118370404 /nfs/dbraw/zinc/37/04/04/1118370404.db2.gz SXPCDKUXSWTGCS-YPMHNXCESA-N 0 1 271.788 3.618 20 0 CHADMN c1cc(CN(CCc2ccccc2)Cc2ccccc2)on1 ZINC000070946031 1118372318 /nfs/dbraw/zinc/37/23/18/1118372318.db2.gz GLEQWXCGZIACCW-UHFFFAOYSA-N 0 1 292.382 3.920 20 0 CHADMN O=C(CCC1CCCCC1)Nc1ccn(-c2ccncc2)n1 ZINC000071027562 1118372909 /nfs/dbraw/zinc/37/29/09/1118372909.db2.gz VJMMLQJKTGQHKK-UHFFFAOYSA-N 0 1 298.390 3.566 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)N3CCCCC3)n2)cc1F ZINC000073597964 1118383855 /nfs/dbraw/zinc/38/38/55/1118383855.db2.gz ZPAZNAFQUVJGIG-LBPRGKRZSA-N 0 1 289.354 3.731 20 0 CHADMN CSCCCN1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000610390785 1118390241 /nfs/dbraw/zinc/39/02/41/1118390241.db2.gz YKWGSFMCJKNQGR-UHFFFAOYSA-N 0 1 274.433 3.588 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2ccc3cnccc3c2)on1 ZINC000683826146 1118392562 /nfs/dbraw/zinc/39/25/62/1118392562.db2.gz CUZSJPGSBGBQDG-QGZVFWFLSA-N 0 1 293.370 3.868 20 0 CHADMN C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000189533417 1128775106 /nfs/dbraw/zinc/77/51/06/1128775106.db2.gz RDSVWFONUPJPBY-JTQLQIEISA-N 0 1 268.744 3.623 20 0 CHADMN CSc1ccc(Nc2nnc(C(C)(C)C)o2)c(F)c1 ZINC001210869126 1118412201 /nfs/dbraw/zinc/41/22/01/1118412201.db2.gz CXTIDLKTYPSVGZ-UHFFFAOYSA-N 0 1 281.356 3.972 20 0 CHADMN CC1(C)C[C@H](N[C@@H](CO)c2ccsc2)c2ccccc21 ZINC000349313154 1118419430 /nfs/dbraw/zinc/41/94/30/1118419430.db2.gz NNNIPHWLNOVPBE-HOTGVXAUSA-N 0 1 287.428 3.794 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@@H](C)c2nccs2)C12CCCC2 ZINC000085681713 1118430301 /nfs/dbraw/zinc/43/03/01/1118430301.db2.gz HWSSWSIYDUSIDE-YNEHKIRRSA-N 0 1 280.437 3.532 20 0 CHADMN Cc1nc(C)c(C[N@@H+](CCc2cccc(F)c2)C2CC2)o1 ZINC000683897623 1118432571 /nfs/dbraw/zinc/43/25/71/1118432571.db2.gz GFPIOMSAPOYLES-UHFFFAOYSA-N 0 1 288.366 3.638 20 0 CHADMN Cc1nc(C)c(CN2CC[C@@H](C)C[C@@H]2c2ccco2)o1 ZINC000683897829 1118433448 /nfs/dbraw/zinc/43/34/48/1118433448.db2.gz GWPBEVJRUFJPCF-BXUZGUMPSA-N 0 1 274.364 3.858 20 0 CHADMN Cc1ccc(CN[C@H](c2ncccc2C)C(C)C)cn1 ZINC000122651256 1118433678 /nfs/dbraw/zinc/43/36/78/1118433678.db2.gz PFLSHTAENYOJSJ-INIZCTEOSA-N 0 1 269.392 3.580 20 0 CHADMN CC(=Nc1cc(=O)[nH]n1C1CCCC1)c1ccccc1 ZINC001210981683 1118434479 /nfs/dbraw/zinc/43/44/79/1118434479.db2.gz NSPLRNBGBXWIIB-UHFFFAOYSA-N 0 1 269.348 3.787 20 0 CHADMN CN(Cc1ccco1)Cc1cccc(OC(F)F)c1 ZINC000050958750 1118439809 /nfs/dbraw/zinc/43/98/09/1118439809.db2.gz LAPMGZHSZJZZTA-UHFFFAOYSA-N 0 1 267.275 3.513 20 0 CHADMN COC[C@@H](NCc1cc2ccccc2[nH]1)c1ccccc1 ZINC000683927199 1118446227 /nfs/dbraw/zinc/44/62/27/1118446227.db2.gz NQWWLXSUJLDYLO-GOSISDBHSA-N 0 1 280.371 3.645 20 0 CHADMN CCCCC[C@H](NC)c1nc(-c2cccc(F)c2)no1 ZINC001212279012 1128778550 /nfs/dbraw/zinc/77/85/50/1128778550.db2.gz GRZCSLXNNMMPKL-ZDUSSCGKSA-N 0 1 277.343 3.717 20 0 CHADMN Cc1conc1C[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC001167406775 1118461988 /nfs/dbraw/zinc/46/19/88/1118461988.db2.gz VTXKXHFCANKOJV-ZDUSSCGKSA-N 0 1 250.386 3.631 20 0 CHADMN COc1cc([C@@H](C)N[C@H](C)c2c(C)noc2C)ccc1F ZINC000153790526 1118462887 /nfs/dbraw/zinc/46/28/87/1118462887.db2.gz XQFWXZHCSLAMNN-NXEZZACHSA-N 0 1 292.354 3.851 20 0 CHADMN Cc1cc(CN2CCN(Cc3ccccc3)[C@@H](C)C2)oc1C ZINC001204540780 1118465226 /nfs/dbraw/zinc/46/52/26/1118465226.db2.gz ZVNFGEJGNDBTNZ-INIZCTEOSA-N 0 1 298.430 3.603 20 0 CHADMN CC[C@H](C)c1cccc(NC(=O)NCc2cc(C)[nH]n2)c1 ZINC000626651868 1128779349 /nfs/dbraw/zinc/77/93/49/1128779349.db2.gz ZTTOHGJVNNAJNX-NSHDSACASA-N 0 1 286.379 3.553 20 0 CHADMN CC(C)C1(NCc2nccc(Cl)c2Cl)CC1 ZINC001658743246 1118472960 /nfs/dbraw/zinc/47/29/60/1118472960.db2.gz AAQTXVBPEVEJAU-UHFFFAOYSA-N 0 1 259.180 3.667 20 0 CHADMN [O-]c1cnccc1C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC001140275386 1118474950 /nfs/dbraw/zinc/47/49/50/1118474950.db2.gz NOPZIKLZYRNWFV-INIZCTEOSA-N 0 1 268.360 3.514 20 0 CHADMN [O-]c1cnccc1C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001140275386 1118474954 /nfs/dbraw/zinc/47/49/54/1118474954.db2.gz NOPZIKLZYRNWFV-INIZCTEOSA-N 0 1 268.360 3.514 20 0 CHADMN CCCCC[C@H](NC)c1nc(-c2ccc(F)c(F)c2)no1 ZINC001212279417 1128779912 /nfs/dbraw/zinc/77/99/12/1128779912.db2.gz RVXPJFFOSWOLHN-ZDUSSCGKSA-N 0 1 295.333 3.856 20 0 CHADMN COc1ccc(-c2ccccc2)cc1Nc1cncn1C ZINC001211248195 1118487491 /nfs/dbraw/zinc/48/74/91/1118487491.db2.gz KFQAPNNPPSEGLQ-UHFFFAOYSA-N 0 1 279.343 3.839 20 0 CHADMN COc1cnccc1Nc1c(Cl)cccc1Cl ZINC001211260026 1118491339 /nfs/dbraw/zinc/49/13/39/1118491339.db2.gz GQTJHEIDMKAAAN-UHFFFAOYSA-N 0 1 269.131 3.563 20 0 CHADMN c1c2ccccc2[nH]c1CN1CCC[C@@H]1c1ccccn1 ZINC000684021379 1118489988 /nfs/dbraw/zinc/48/99/88/1118489988.db2.gz VAMYKLHMCUJLSX-GOSISDBHSA-N 0 1 277.371 3.900 20 0 CHADMN COC[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000089668699 1118490792 /nfs/dbraw/zinc/49/07/92/1118490792.db2.gz YKYPGIURIRLMFW-QZTJIDSGSA-N 0 1 285.362 3.790 20 0 CHADMN COc1cnccc1Nc1ccc(Cl)cc1Cl ZINC001211264032 1118492388 /nfs/dbraw/zinc/49/23/88/1118492388.db2.gz TWCLZYQHXZQHLB-UHFFFAOYSA-N 0 1 269.131 3.563 20 0 CHADMN COc1ccc2c(c1)CN([C@H](C)Cc1ccsc1)C2 ZINC000656274531 1118493493 /nfs/dbraw/zinc/49/34/93/1118493493.db2.gz BXUURIMPLFNCPM-GFCCVEGCSA-N 0 1 273.401 3.704 20 0 CHADMN Cc1nc(CN2CCc3ccc(F)cc3[C@H](C)C2)c(C)o1 ZINC000660922627 1118499100 /nfs/dbraw/zinc/49/91/00/1118499100.db2.gz KAACAYKYZBKYHE-LLVKDONJSA-N 0 1 288.366 3.592 20 0 CHADMN C[C@H](F)CCNCc1c(F)ccc(Br)c1F ZINC000339489685 1118501321 /nfs/dbraw/zinc/50/13/21/1118501321.db2.gz DTQLNUIQZOHNMJ-ZETCQYMHSA-N 0 1 296.130 3.565 20 0 CHADMN Fc1ccc(-c2nc(CN3C[C@@H]4CCCC[C@@H]43)co2)cc1 ZINC000660928108 1118506041 /nfs/dbraw/zinc/50/60/41/1118506041.db2.gz JYNDHJCOTHNUCU-BBRMVZONSA-N 0 1 286.350 3.855 20 0 CHADMN Cc1ccc(C)c([C@H](C)N[C@H](CO)c2ccsc2)c1 ZINC000349354801 1118512773 /nfs/dbraw/zinc/51/27/73/1118512773.db2.gz MUZWUAVAAGBVQM-XJKSGUPXSA-N 0 1 275.417 3.749 20 0 CHADMN CCCCCC[C@@H](C)NC(=O)Cc1[nH]nc2ccccc21 ZINC000050558140 1118515246 /nfs/dbraw/zinc/51/52/46/1118515246.db2.gz LBIHFGIYCSIFCP-CYBMUJFWSA-N 0 1 287.407 3.581 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C2)cc(C)c1F ZINC001143381750 1118516358 /nfs/dbraw/zinc/51/63/58/1118516358.db2.gz NFJSSKRXUDFYBH-LBPRGKRZSA-N 0 1 275.289 3.827 20 0 CHADMN Cc1cc(CN2CC[C@H](C(F)(F)F)C2)cc(C)c1F ZINC001143381750 1118516359 /nfs/dbraw/zinc/51/63/59/1118516359.db2.gz NFJSSKRXUDFYBH-LBPRGKRZSA-N 0 1 275.289 3.827 20 0 CHADMN CC(C)Cc1ccc(CNCc2cn3ccccc3n2)cc1 ZINC000151366174 1118516698 /nfs/dbraw/zinc/51/66/98/1118516698.db2.gz BXGITDLUSYPHLL-UHFFFAOYSA-N 0 1 293.414 3.823 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2cc3ccccc3o2)no1 ZINC000109513752 1118528861 /nfs/dbraw/zinc/52/88/61/1118528861.db2.gz XCNVIEQSVASGKA-JTQLQIEISA-N 0 1 271.320 3.543 20 0 CHADMN CCCN[C@@H](C)c1nc([C@H]2CCCc3ccccc32)no1 ZINC000109514992 1118528965 /nfs/dbraw/zinc/52/89/65/1118528965.db2.gz GJVHWRUPLFVDAD-WFASDCNBSA-N 0 1 285.391 3.598 20 0 CHADMN COc1ccc(CN2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC000580964699 1118531136 /nfs/dbraw/zinc/53/11/36/1118531136.db2.gz LCKLVGHEYGZNJK-SFHVURJKSA-N 0 1 285.362 3.766 20 0 CHADMN CCN(Cc1ccccc1)Cc1cc(F)c(F)cc1OC ZINC001143387724 1118536229 /nfs/dbraw/zinc/53/62/29/1118536229.db2.gz QROLCCKJTJZTNB-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN CCC[C@H]1CCCN(Cc2c(Cl)n[nH]c2CC)C1 ZINC001204551452 1118539175 /nfs/dbraw/zinc/53/91/75/1118539175.db2.gz KLXBINYXYXLJDL-NSHDSACASA-N 0 1 269.820 3.638 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)s1 ZINC000109601647 1118554959 /nfs/dbraw/zinc/55/49/59/1118554959.db2.gz YKXCZQOZYHOPMR-YPMHNXCESA-N 0 1 279.405 3.601 20 0 CHADMN Cc1c2cccc(C)c2oc1-c1nc([C@@H]2CCCN2)no1 ZINC000647151485 1118558514 /nfs/dbraw/zinc/55/85/14/1118558514.db2.gz HLASXEKMQBKQIB-LBPRGKRZSA-N 0 1 283.331 3.524 20 0 CHADMN CC(C)c1ccc([C@@H](C)N(C)Cc2cnccn2)cc1 ZINC000181963589 1118560118 /nfs/dbraw/zinc/56/01/18/1118560118.db2.gz SXYQYIBLSWXJHG-CQSZACIVSA-N 0 1 269.392 3.793 20 0 CHADMN Cc1cc(C)c(/C=C/c2nc([C@H]3CCCN3)no2)cc1C ZINC000647152605 1118562315 /nfs/dbraw/zinc/56/23/15/1118562315.db2.gz JFALTYJZYUFCGP-LQYUOIDQSA-N 0 1 283.375 3.590 20 0 CHADMN C[C@H](NC[C@H]1CCCCC1(F)F)c1cscn1 ZINC000296240997 1118563677 /nfs/dbraw/zinc/56/36/77/1118563677.db2.gz AVOGASPDRWJTJP-VHSXEESVSA-N 0 1 260.353 3.619 20 0 CHADMN COc1cc(CN(C)Cc2ccc(F)cc2)ccc1F ZINC001204555394 1118564169 /nfs/dbraw/zinc/56/41/69/1118564169.db2.gz OVSWBSQODJXCPI-UHFFFAOYSA-N 0 1 277.314 3.605 20 0 CHADMN CCc1ccccc1Cc1nc(=O)c2sc(C)cc2[nH]1 ZINC000656491529 1118565632 /nfs/dbraw/zinc/56/56/32/1118565632.db2.gz NOHZEGKGRBYWAO-UHFFFAOYSA-N 0 1 284.384 3.859 20 0 CHADMN CCCc1sc(-c2nc([C@@H]3CCCN3)no2)cc1CC ZINC000647155038 1118566717 /nfs/dbraw/zinc/56/67/17/1118566717.db2.gz QCMFLFUGSHEFHF-NSHDSACASA-N 0 1 291.420 3.738 20 0 CHADMN Cc1nnsc1CN[C@@H](C)c1ccc2ccccc2c1 ZINC000293782720 1118578986 /nfs/dbraw/zinc/57/89/86/1118578986.db2.gz TZRLHQDJFOHJCU-NSHDSACASA-N 0 1 283.400 3.851 20 0 CHADMN CS[C@H](C)CNCc1csc(-c2cccs2)n1 ZINC000128136646 1118581347 /nfs/dbraw/zinc/58/13/47/1118581347.db2.gz UKLSQNJFDDSFPN-SECBINFHSA-N 0 1 284.475 3.713 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C2CC3(C2)CCCCC3)n1 ZINC000656562269 1118597153 /nfs/dbraw/zinc/59/71/53/1118597153.db2.gz ZRQOLPYIMUIUKM-CYBMUJFWSA-N 0 1 277.412 3.943 20 0 CHADMN COc1cc(F)c(F)cc1CN1CCC[C@@H]2CCC[C@H]21 ZINC001143394512 1118606532 /nfs/dbraw/zinc/60/65/32/1118606532.db2.gz FLIBAXWONXVLHU-XHDPSFHLSA-N 0 1 281.346 3.738 20 0 CHADMN CN(CCC(F)(F)F)Cc1ccccc1N1CCCC1 ZINC000072981822 1118609745 /nfs/dbraw/zinc/60/97/45/1118609745.db2.gz IULJNKWBJHCHAG-UHFFFAOYSA-N 0 1 286.341 3.671 20 0 CHADMN C[C@H]1CCN(Cc2sccc2Br)C[C@H]1C ZINC000253084692 1118610231 /nfs/dbraw/zinc/61/02/31/1118610231.db2.gz YZDHYJDEGZKXDO-VHSXEESVSA-N 0 1 288.254 3.989 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CC(Cc2ccccc2C)C1 ZINC000656649078 1118618327 /nfs/dbraw/zinc/61/83/27/1118618327.db2.gz ISVAHVMPIHKKBR-UHFFFAOYSA-N 0 1 297.446 3.755 20 0 CHADMN FC(F)(F)c1cccc(CC2CN(CC3(F)CC3)C2)c1 ZINC000656655409 1118622559 /nfs/dbraw/zinc/62/25/59/1118622559.db2.gz FKXYBINXYAWKBI-UHFFFAOYSA-N 0 1 287.300 3.682 20 0 CHADMN CSc1ccc(Cl)cc1Nc1ccnc(CO)c1 ZINC001215911109 1118624918 /nfs/dbraw/zinc/62/49/18/1118624918.db2.gz ZCNAOBBZPNIWPT-UHFFFAOYSA-N 0 1 280.780 3.693 20 0 CHADMN C[C@H](NCc1cccc(OC2CC2)c1F)c1ccncc1 ZINC000656684087 1118636806 /nfs/dbraw/zinc/63/68/06/1118636806.db2.gz SHKKAZPAWWHLEE-LBPRGKRZSA-N 0 1 286.350 3.613 20 0 CHADMN FC(F)(F)CC1CN(Cc2ccc3cnccc3c2)C1 ZINC000656687912 1118637698 /nfs/dbraw/zinc/63/76/98/1118637698.db2.gz ASEWAVSDDIHHBY-UHFFFAOYSA-N 0 1 280.293 3.619 20 0 CHADMN Cc1ccc(-c2cnc(CN3CCC[C@H]3C)o2)cc1 ZINC000076114437 1118643814 /nfs/dbraw/zinc/64/38/14/1118643814.db2.gz MIPOQHUAWIVFDK-CYBMUJFWSA-N 0 1 256.349 3.634 20 0 CHADMN CC(C)C[C@H](CN1CCc2c[nH]nc2C1)c1ccccc1 ZINC000684360377 1118649434 /nfs/dbraw/zinc/64/94/34/1118649434.db2.gz DAJNQICTOFAFIS-QGZVFWFLSA-N 0 1 283.419 3.598 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCCC2CCCC2)[C@@H]2CCCC[C@H]12 ZINC000656763986 1118651489 /nfs/dbraw/zinc/65/14/89/1118651489.db2.gz DQHUJDAVUVCFNV-BRWVUGGUSA-N 0 1 293.451 3.922 20 0 CHADMN CC1CCC(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)CC1 ZINC000656765624 1118652698 /nfs/dbraw/zinc/65/26/98/1118652698.db2.gz LEXSXNTYUQMRSB-YOTSKQKMSA-N 0 1 293.451 3.778 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)[C@@H]2CCCC[C@@H]12 ZINC000656764957 1118652743 /nfs/dbraw/zinc/65/27/43/1118652743.db2.gz LWGXUNDHXRIRQC-JRVIMJSLSA-N 0 1 299.414 3.665 20 0 CHADMN Cc1ccnc(NCc2cnc3ccccn23)c1C1CC1 ZINC000656779954 1118654500 /nfs/dbraw/zinc/65/45/00/1118654500.db2.gz YAWQLKQKPCSWIE-UHFFFAOYSA-N 0 1 278.359 3.527 20 0 CHADMN CCc1ccc(C)nc1NCc1cnc(C2CC2)s1 ZINC000656777897 1118655865 /nfs/dbraw/zinc/65/58/65/1118655865.db2.gz HBSPJUFKSKMRTQ-UHFFFAOYSA-N 0 1 273.405 3.898 20 0 CHADMN CCc1ccc(C)nc1NCc1ccc(NC(C)=O)cc1 ZINC000656778145 1118655957 /nfs/dbraw/zinc/65/59/57/1118655957.db2.gz PCWGHVIBYYVCCY-UHFFFAOYSA-N 0 1 283.375 3.523 20 0 CHADMN Cc1ccnc(NCc2cccc3c2OCO3)c1C1CC1 ZINC000656779320 1118656107 /nfs/dbraw/zinc/65/61/07/1118656107.db2.gz MMJMIEHAZMCZRH-UHFFFAOYSA-N 0 1 282.343 3.608 20 0 CHADMN Nc1ccc2c(c1)CC[C@@H]2NCc1cscc1Cl ZINC000656791722 1118658135 /nfs/dbraw/zinc/65/81/35/1118658135.db2.gz LULQEHACCHNIGP-AWEZNQCLSA-N 0 1 278.808 3.761 20 0 CHADMN COc1cccc(CNC2([C@@H]3CCCCO3)CC2)c1Cl ZINC000933370341 1118670971 /nfs/dbraw/zinc/67/09/71/1118670971.db2.gz ACDIATYTSWCYJJ-AWEZNQCLSA-N 0 1 295.810 3.540 20 0 CHADMN CCOc1ccc(CNCc2cccnc2C)cc1Cl ZINC000341353007 1118673250 /nfs/dbraw/zinc/67/32/50/1118673250.db2.gz KKYWPCJBBMVIAN-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN Cc1cc(C)nc(CN[C@H](C)c2ccccc2C)c1 ZINC000723628414 1118674672 /nfs/dbraw/zinc/67/46/72/1118674672.db2.gz HTMHFQHTJNWJJG-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN COc1cccc(CN2CC(C(C)C)C2)c1OC(C)C ZINC000684409523 1118684844 /nfs/dbraw/zinc/68/48/44/1118684844.db2.gz XFPBUNZRTBZQCH-UHFFFAOYSA-N 0 1 277.408 3.570 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccccc2)cnc1F ZINC000891504133 1118697795 /nfs/dbraw/zinc/69/77/95/1118697795.db2.gz PPKBMCRBVJIWIW-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1cnn(C2CCC2)c1 ZINC000891537481 1118704361 /nfs/dbraw/zinc/70/43/61/1118704361.db2.gz SMXBSZFGLZLTMA-ZDUSSCGKSA-N 0 1 287.382 3.940 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc([C@@H]2CCCCS2)no1 ZINC000386381276 1118705338 /nfs/dbraw/zinc/70/53/38/1118705338.db2.gz ACYQYACBCXSMJZ-MNOVXSKESA-N 0 1 283.441 3.725 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cnn(C3CCC3)c2)cc1 ZINC000891564788 1118711093 /nfs/dbraw/zinc/71/10/93/1118711093.db2.gz CJVIJPXUYQCHKV-AWEZNQCLSA-N 0 1 299.418 3.810 20 0 CHADMN COc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]1C(C)C ZINC001143400071 1118713114 /nfs/dbraw/zinc/71/31/14/1118713114.db2.gz LTADKVSSUSCXRE-CQSZACIVSA-N 0 1 269.335 3.594 20 0 CHADMN COc1cc(F)c(F)cc1CN1CCC(C(C)C)CC1 ZINC001143400279 1118713922 /nfs/dbraw/zinc/71/39/22/1118713922.db2.gz RVNYKWBXUFGHEL-UHFFFAOYSA-N 0 1 283.362 3.841 20 0 CHADMN CC(C)CCC[C@H](C)NC(=O)c1cc2[nH]cnc2cc1F ZINC000341500755 1118716943 /nfs/dbraw/zinc/71/69/43/1118716943.db2.gz YZBATHFXFGUTBD-NSHDSACASA-N 0 1 291.370 3.647 20 0 CHADMN Cc1ccc(CN(CCO)Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1 ZINC000341530242 1118720924 /nfs/dbraw/zinc/72/09/24/1118720924.db2.gz MRKOCAWPSQEHGB-MAUKXSAKSA-N 0 1 299.414 3.706 20 0 CHADMN c1cn2cc(CN3CCC[C@H]3c3ccsc3)sc2n1 ZINC000891619033 1118722354 /nfs/dbraw/zinc/72/23/54/1118722354.db2.gz ZYSOWQFLVVGQND-ZDUSSCGKSA-N 0 1 289.429 3.794 20 0 CHADMN C/C=C/CN[C@H](C)c1sccc1Br ZINC000384828351 1118724107 /nfs/dbraw/zinc/72/41/07/1118724107.db2.gz GLNHTTCAZKJDNN-MPJRPATESA-N 0 1 260.200 3.737 20 0 CHADMN CCc1oc2ccccc2c1CNCc1ccc(C)cn1 ZINC000400827842 1118729324 /nfs/dbraw/zinc/72/93/24/1118729324.db2.gz MOSHALBICGLUEW-UHFFFAOYSA-N 0 1 280.371 3.988 20 0 CHADMN CC[C@H](N[C@H](C)c1cnc(C)s1)c1ccncc1 ZINC000090417912 1118733145 /nfs/dbraw/zinc/73/31/45/1118733145.db2.gz GPEGUPKFIWFBOY-MFKMUULPSA-N 0 1 261.394 3.648 20 0 CHADMN COc1ccc(F)c(F)c1CN1[C@H](C)CCC[C@@H]1C ZINC001143403404 1118735010 /nfs/dbraw/zinc/73/50/10/1118735010.db2.gz CQVFNNDHWWGQKL-PHIMTYICSA-N 0 1 269.335 3.736 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cccc3[nH]ccc31)CO2 ZINC000341548714 1118735269 /nfs/dbraw/zinc/73/52/69/1118735269.db2.gz JZKRPVSCQGZKIX-MRXNPFEDSA-N 0 1 282.318 3.530 20 0 CHADMN COc1ccc(F)c(F)c1CN1CCC[C@H](C)CC1 ZINC001143405049 1118741991 /nfs/dbraw/zinc/74/19/91/1118741991.db2.gz TUJWNTCPZPJZEW-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN c1ccc(C[C@@H]2CCN2Cc2nc3cccnc3s2)cc1 ZINC000341576425 1118743893 /nfs/dbraw/zinc/74/38/93/1118743893.db2.gz BDACEFINAZMSMI-AWEZNQCLSA-N 0 1 295.411 3.508 20 0 CHADMN Cc1cc(CN[C@@H](CC(C)(C)C)c2ccccc2)nn1C ZINC000341589829 1118748723 /nfs/dbraw/zinc/74/87/23/1118748723.db2.gz HTEIOJPOVWJCIP-KRWDZBQOSA-N 0 1 285.435 3.996 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2ccc3c(c2)CCCO3)on1 ZINC000891718385 1118750445 /nfs/dbraw/zinc/75/04/45/1118750445.db2.gz KVBBXRCWVKAHDR-MRXNPFEDSA-N 0 1 298.386 3.645 20 0 CHADMN OC[C@H](NCc1csc2ccccc12)c1ccsc1 ZINC000349561961 1118751787 /nfs/dbraw/zinc/75/17/87/1118751787.db2.gz COKBORIBADMUJT-AWEZNQCLSA-N 0 1 289.425 3.786 20 0 CHADMN CCN(Cc1sc(C)nc1C)Cc1cccc(F)c1 ZINC000349564197 1118754838 /nfs/dbraw/zinc/75/48/38/1118754838.db2.gz RGRNUAXAYKAVSU-UHFFFAOYSA-N 0 1 278.396 3.921 20 0 CHADMN COCC1(C2CCC2)CN(Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000668515235 1118755985 /nfs/dbraw/zinc/75/59/85/1118755985.db2.gz SXOWLNUNYDTUTK-UHFFFAOYSA-N 0 1 298.430 3.725 20 0 CHADMN Cc1noc(C)c1CNCc1cc2c(ccc(C)c2C)[nH]1 ZINC000349568561 1118756337 /nfs/dbraw/zinc/75/63/37/1118756337.db2.gz MMGKIIBGMOPAJZ-UHFFFAOYSA-N 0 1 283.375 3.679 20 0 CHADMN COc1cc([C@@H](C)N[C@H](C)c2cccnc2)ccc1F ZINC000131561140 1118761830 /nfs/dbraw/zinc/76/18/30/1118761830.db2.gz DWLCIAKKYRSYPU-VXGBXAGGSA-N 0 1 274.339 3.641 20 0 CHADMN CCc1nnc([C@H](C)N[C@@H](C)C(C)(C)c2ccccc2)o1 ZINC000341643359 1118776479 /nfs/dbraw/zinc/77/64/79/1118776479.db2.gz VCZBOIOYEDPEKY-STQMWFEESA-N 0 1 287.407 3.649 20 0 CHADMN Oc1ccc([C@@H]2CCCN2Cc2ccc(O)c(F)c2)cc1 ZINC000891795730 1118778104 /nfs/dbraw/zinc/77/81/04/1118778104.db2.gz AZFQEYSMAGZQNK-INIZCTEOSA-N 0 1 287.334 3.574 20 0 CHADMN CCC[C@H](C)C[N@H+]1CCCC[C@@H]1c1nccn1CC ZINC000430869501 1118779764 /nfs/dbraw/zinc/77/97/64/1118779764.db2.gz XZFGXSZGIZPGDD-LSDHHAIUSA-N 0 1 263.429 3.866 20 0 CHADMN Cc1ccccc1[C@@]1(F)CC[N@@H+](CCCCF)C1 ZINC000510643360 1118780398 /nfs/dbraw/zinc/78/03/98/1118780398.db2.gz FZNRJIZGDDXSOM-OAHLLOKOSA-N 0 1 253.336 3.615 20 0 CHADMN CC1=C[C@H](C)CN(Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000430883790 1118782483 /nfs/dbraw/zinc/78/24/83/1118782483.db2.gz RZGGOWSCGRISHY-NEPJUHHUSA-N 0 1 276.449 3.666 20 0 CHADMN CCc1nc([C@H](C)NC[C@@]2(C)CC2(Cl)Cl)cs1 ZINC000828823126 1118787277 /nfs/dbraw/zinc/78/72/77/1118787277.db2.gz WONWTHAQUBTWBR-GZMMTYOYSA-N 0 1 293.263 3.940 20 0 CHADMN Cc1cccc(C)c1CN(C)Cc1cc(C2CC2)no1 ZINC000933763951 1118791209 /nfs/dbraw/zinc/79/12/09/1118791209.db2.gz IBGFUTBLLOSBJB-UHFFFAOYSA-N 0 1 270.376 3.801 20 0 CHADMN CC[C@H](N[C@H](C)C1CCC(F)(F)CC1)C(F)F ZINC000449358106 1118792136 /nfs/dbraw/zinc/79/21/36/1118792136.db2.gz DVCNNHDVPWVGFA-SCZZXKLOSA-N 0 1 255.299 3.834 20 0 CHADMN CC[C@@H](NC[C@@H](C)Cc1ccc(OC)c(F)c1)C(F)F ZINC000449363254 1118796044 /nfs/dbraw/zinc/79/60/44/1118796044.db2.gz OXYMZGGCFARNAD-GXFFZTMASA-N 0 1 289.341 3.646 20 0 CHADMN Cc1ccccc1[C@H](N[C@H](C)c1nccn1C)C1CC1 ZINC000341699107 1118801210 /nfs/dbraw/zinc/80/12/10/1118801210.db2.gz QUVODTGMGPLIHH-CZUORRHYSA-N 0 1 269.392 3.530 20 0 CHADMN FC(F)(CN[C@@H](C1CC1)[C@H]1CCCOC1)c1ccccc1 ZINC000926260042 1118806475 /nfs/dbraw/zinc/80/64/75/1118806475.db2.gz QIRPDSANFHQFJH-HOCLYGCPSA-N 0 1 295.373 3.573 20 0 CHADMN COc1cc2c(cc1CNCc1ccc(C)cc1)O[C@@H](C)C2 ZINC000060816918 1118810934 /nfs/dbraw/zinc/81/09/34/1118810934.db2.gz PTGJATYPPQLFJC-AWEZNQCLSA-N 0 1 297.398 3.617 20 0 CHADMN C[C@@H](F)CC[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000510765931 1118811712 /nfs/dbraw/zinc/81/17/12/1118811712.db2.gz ROEZFTPTEGKCMT-SECBINFHSA-N 0 1 292.167 3.768 20 0 CHADMN CCC[C@@H](CC1CCCCC1)C(=O)N(C)Cc1cnc[nH]1 ZINC000616925836 1128802677 /nfs/dbraw/zinc/80/26/77/1128802677.db2.gz RWXXPUFHRMGNES-HNNXBMFYSA-N 0 1 291.439 3.755 20 0 CHADMN CN(C(=O)c1cnc(-c2ccccc2)[nH]1)[C@H]1CCC(C)(C)C1 ZINC000510872667 1118836877 /nfs/dbraw/zinc/83/68/77/1118836877.db2.gz AEOLDZSKPRZNBN-AWEZNQCLSA-N 0 1 297.402 3.727 20 0 CHADMN CC(C)(C)c1cnc(CN2CCCSC[C@H]2C2CC2)o1 ZINC000933916139 1118843789 /nfs/dbraw/zinc/84/37/89/1118843789.db2.gz OVLMQBVWZDOGPM-ZDUSSCGKSA-N 0 1 294.464 3.690 20 0 CHADMN [O-]c1cccc2c(N3CCC[C@H]3c3cccnc3)cc[nH+]c12 ZINC000684565690 1118846048 /nfs/dbraw/zinc/84/60/48/1118846048.db2.gz HWIHXRUEXNBGDL-HNNXBMFYSA-N 0 1 291.354 3.677 20 0 CHADMN [O-]c1cccc2c(NCc3ccsc3)cc[nH+]c12 ZINC000684568291 1118850957 /nfs/dbraw/zinc/85/09/57/1118850957.db2.gz QGKBOBIWYZHDNP-UHFFFAOYSA-N 0 1 256.330 3.614 20 0 CHADMN c1cc(CN2CCCc3ccccc3C2)n(C2CCC2)n1 ZINC000891931906 1118853661 /nfs/dbraw/zinc/85/36/61/1118853661.db2.gz PRGQCRZCHDLRHA-UHFFFAOYSA-N 0 1 281.403 3.557 20 0 CHADMN [O-]c1cccc2c(NCCCNc3ccccc3)cc[nH+]c12 ZINC000684571080 1118854847 /nfs/dbraw/zinc/85/48/47/1118854847.db2.gz BWQRNENXDZCRTK-UHFFFAOYSA-N 0 1 293.370 3.855 20 0 CHADMN Cc1cccc(CN2CCO[C@@H](c3cccs3)C2)c1C ZINC000092593984 1118858289 /nfs/dbraw/zinc/85/82/89/1118858289.db2.gz ORWVPZUPFUVYBU-MRXNPFEDSA-N 0 1 287.428 3.938 20 0 CHADMN Cc1cnc(CN[C@H](c2ccccc2)C(C)C)s1 ZINC000093158261 1118858538 /nfs/dbraw/zinc/85/85/38/1118858538.db2.gz NWLUAVDCTSJJSN-HNNXBMFYSA-N 0 1 260.406 3.938 20 0 CHADMN CCC1(CNc2cc[nH+]c3c([O-])cccc23)CCOCC1 ZINC000684574079 1118860252 /nfs/dbraw/zinc/86/02/52/1118860252.db2.gz BTTWHDHJALHVKZ-UHFFFAOYSA-N 0 1 286.375 3.559 20 0 CHADMN Fc1cccc([C@H]2CCN(Cc3ccnn3C3CCC3)C2)c1 ZINC000891942046 1118860310 /nfs/dbraw/zinc/86/03/10/1118860310.db2.gz ANIUUNAYCMCAPF-HNNXBMFYSA-N 0 1 299.393 3.737 20 0 CHADMN C[C@H](CCc1cccc(F)c1)N[C@H](C)C(C)(F)F ZINC000449412705 1118875297 /nfs/dbraw/zinc/87/52/97/1118875297.db2.gz GHUAUIBQJHHCGC-GHMZBOCLSA-N 0 1 259.315 3.780 20 0 CHADMN COc1ccccc1/C=C/CN1CCC[C@H]1c1ccccn1 ZINC000535780610 1118888056 /nfs/dbraw/zinc/88/80/56/1118888056.db2.gz NZKZGKJGOISLDR-YOCVDRLZSA-N 0 1 294.398 3.941 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000294059893 1118895122 /nfs/dbraw/zinc/89/51/22/1118895122.db2.gz JYWHVTCFSVIXGE-IPYPFGDCSA-N 0 1 255.365 3.548 20 0 CHADMN CCCCc1noc(CN[C@H](C)[C@@H](C)c2ccccc2)n1 ZINC000181537194 1118918526 /nfs/dbraw/zinc/91/85/26/1118918526.db2.gz SZRRQVOODDXNPK-ZIAGYGMSSA-N 0 1 287.407 3.694 20 0 CHADMN Cc1nn(C)cc1CN1CCCC[C@@H]1c1ccccc1F ZINC001204579190 1118920200 /nfs/dbraw/zinc/92/02/00/1118920200.db2.gz YWYHDNVLLZBAEW-QGZVFWFLSA-N 0 1 287.382 3.595 20 0 CHADMN Fc1ccccc1-c1n[nH]c(SCC2CC=CC2)n1 ZINC000657226575 1118925470 /nfs/dbraw/zinc/92/54/70/1118925470.db2.gz PEJCZLBDARHDMJ-UHFFFAOYSA-N 0 1 275.352 3.669 20 0 CHADMN CC(=O)[C@H](C)CCSc1nc2ccc(C)cc2[nH]1 ZINC000657227819 1118925477 /nfs/dbraw/zinc/92/54/77/1118925477.db2.gz JPCDYDYEXWSKHU-SNVBAGLBSA-N 0 1 262.378 3.579 20 0 CHADMN CCc1nc([C@H](C)Sc2cc(C)ccc2C)n[nH]1 ZINC000657231898 1118927057 /nfs/dbraw/zinc/92/70/57/1118927057.db2.gz PDNUTJOSSWYFPF-NSHDSACASA-N 0 1 261.394 3.837 20 0 CHADMN [O-]c1cccc2c(NC[C@@H]3CCC(F)(F)C3)cc[nH+]c12 ZINC000684654532 1118934056 /nfs/dbraw/zinc/93/40/56/1118934056.db2.gz FSWHWDFRQVTWSE-SNVBAGLBSA-N 0 1 278.302 3.788 20 0 CHADMN CC[C@@H]1C[C@@H](NCc2ccc(Cl)cc2Cl)CO1 ZINC000657286389 1118956434 /nfs/dbraw/zinc/95/64/34/1118956434.db2.gz MRNVHRZTDQKWLK-VXGBXAGGSA-N 0 1 274.191 3.651 20 0 CHADMN Cc1ncc(CN(C)[C@@H](C)c2ccc(C)cc2C)o1 ZINC000628132312 1128815222 /nfs/dbraw/zinc/81/52/22/1128815222.db2.gz CBJLRPBQXZKLFQ-ZDUSSCGKSA-N 0 1 258.365 3.793 20 0 CHADMN CC1=C[C@H](C)CN(Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000684669355 1118947462 /nfs/dbraw/zinc/94/74/62/1118947462.db2.gz CVVIGJFAFHDWFH-LBPRGKRZSA-N 0 1 286.350 3.879 20 0 CHADMN CCc1nnc(SCc2ccc3nc(C)[nH]c3c2)s1 ZINC000657273045 1118947646 /nfs/dbraw/zinc/94/76/46/1118947646.db2.gz VNOYPEFHODRUFJ-UHFFFAOYSA-N 0 1 290.417 3.578 20 0 CHADMN CC(C)N(Cc1ccn(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000342235680 1118952479 /nfs/dbraw/zinc/95/24/79/1118952479.db2.gz SDSUTMWYHJSEEW-UHFFFAOYSA-N 0 1 289.810 3.899 20 0 CHADMN Cc1ccc(CCNCc2ncc(Cl)s2)c(C)c1 ZINC000472053901 1118952954 /nfs/dbraw/zinc/95/29/54/1118952954.db2.gz RYGGUWQFLOJFOJ-UHFFFAOYSA-N 0 1 280.824 3.746 20 0 CHADMN Cc1cc(C)cc(CCNCc2ncc(Cl)s2)c1 ZINC000472061847 1118955198 /nfs/dbraw/zinc/95/51/98/1118955198.db2.gz FIOPZIBLNAVDMB-UHFFFAOYSA-N 0 1 280.824 3.746 20 0 CHADMN CCC[C@](C)(NCc1cnc(C)o1)c1ccccc1 ZINC000934179965 1118956484 /nfs/dbraw/zinc/95/64/84/1118956484.db2.gz LWIYDSJEQJMUNA-INIZCTEOSA-N 0 1 258.365 3.788 20 0 CHADMN CC(C)N(Cc1c(F)cc(F)cc1F)CC1CC1 ZINC001140532683 1118956926 /nfs/dbraw/zinc/95/69/26/1118956926.db2.gz MFJQUZFWBLMJRF-UHFFFAOYSA-N 0 1 257.299 3.724 20 0 CHADMN CCC[C@@](C)(NCc1cnc(C)cn1)c1ccccc1 ZINC000934185503 1118957410 /nfs/dbraw/zinc/95/74/10/1118957410.db2.gz ILGRIDYBYIQDKT-QGZVFWFLSA-N 0 1 269.392 3.590 20 0 CHADMN COCc1csc(CNCc2cc(C)ccc2OC)c1 ZINC000657298522 1118968783 /nfs/dbraw/zinc/96/87/83/1118968783.db2.gz RJRWBZSETQFXEC-UHFFFAOYSA-N 0 1 291.416 3.501 20 0 CHADMN CC(C)CCCNCc1c(F)cncc1Br ZINC000657298424 1118969043 /nfs/dbraw/zinc/96/90/43/1118969043.db2.gz OIARAOWVUXENNB-UHFFFAOYSA-N 0 1 289.192 3.509 20 0 CHADMN CCc1cccc2cc(CNCc3ccnc(OC)c3)oc21 ZINC000657304192 1118973255 /nfs/dbraw/zinc/97/32/55/1118973255.db2.gz LMSJIEHWVVBGLN-UHFFFAOYSA-N 0 1 296.370 3.689 20 0 CHADMN C[C@@H](Cc1cccnc1)NCc1ncc(-c2cccs2)o1 ZINC000934235051 1118984964 /nfs/dbraw/zinc/98/49/64/1118984964.db2.gz QKWUATXQRSTRNZ-LBPRGKRZSA-N 0 1 299.399 3.519 20 0 CHADMN C[C@@H](Cc1cccnc1)N[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000934236422 1118987020 /nfs/dbraw/zinc/98/70/20/1118987020.db2.gz PEZWQHKMZDMWAO-STQMWFEESA-N 0 1 287.407 3.649 20 0 CHADMN CCCCc1noc([C@H](C)N[C@@H]2CCC[C@H](C)[C@@H]2C)n1 ZINC000105834518 1118988080 /nfs/dbraw/zinc/98/80/80/1118988080.db2.gz FRECQAOOVDZWCB-XDQVBPFNSA-N 0 1 279.428 3.888 20 0 CHADMN CCc1ccc(CNCc2cccnc2OC(C)C)s1 ZINC000048760671 1118990817 /nfs/dbraw/zinc/99/08/17/1118990817.db2.gz JRQBIRHYOKZGHH-UHFFFAOYSA-N 0 1 290.432 3.783 20 0 CHADMN CC(C)(C)c1coc(CN[C@H]2CCC(C)(C)C2)n1 ZINC000724428579 1119000226 /nfs/dbraw/zinc/00/02/26/1119000226.db2.gz ACSOAQIXPVCNQA-NSHDSACASA-N 0 1 250.386 3.640 20 0 CHADMN C[C@H](NCc1nc(C(C)(C)C)co1)C1CCCC1 ZINC000724432329 1119002327 /nfs/dbraw/zinc/00/23/27/1119002327.db2.gz IBRRHMZQPRINLF-NSHDSACASA-N 0 1 250.386 3.640 20 0 CHADMN Cc1cccnc1[C@@H](NCc1cccnc1C)C(C)(C)C ZINC000934285956 1119008589 /nfs/dbraw/zinc/00/85/89/1119008589.db2.gz BFSLVNRWNXFXEQ-QGZVFWFLSA-N 0 1 283.419 3.970 20 0 CHADMN CCOc1ccc(CNCc2ccc(F)cc2F)c(C)c1 ZINC000657336744 1119009277 /nfs/dbraw/zinc/00/92/77/1119009277.db2.gz ZWSNYLOSLUQKKZ-UHFFFAOYSA-N 0 1 291.341 3.962 20 0 CHADMN C[C@@H]1CN(Cc2cn3ccnc3s2)[C@H]1c1ccccc1 ZINC000892195125 1119017201 /nfs/dbraw/zinc/01/72/01/1119017201.db2.gz NJPBVENXYPDYAV-IUODEOHRSA-N 0 1 283.400 3.589 20 0 CHADMN C[C@H]1CN(Cc2cnn(C3CCC3)c2)[C@@H]1c1ccccc1 ZINC000892194863 1119017395 /nfs/dbraw/zinc/01/73/95/1119017395.db2.gz JJMLQKKIVSAWFR-KSSFIOAISA-N 0 1 281.403 3.801 20 0 CHADMN C[C@H]1Oc2ccccc2[C@@H]1NCc1cccc2cccnc21 ZINC000342425043 1119017589 /nfs/dbraw/zinc/01/75/89/1119017589.db2.gz UPXHFACYGVUVOX-FZKQIMNGSA-N 0 1 290.366 3.847 20 0 CHADMN CCCC[C@H](NCc1nc(C)c[nH]1)c1ccc(OC)cc1 ZINC000657353394 1119022513 /nfs/dbraw/zinc/02/25/13/1119022513.db2.gz MAWVVGVHQDXIGA-INIZCTEOSA-N 0 1 287.407 3.748 20 0 CHADMN CC(C)(C)[C@H]1CCCC[C@H]1NCc1noc(C2CC2)n1 ZINC000108367262 1119025219 /nfs/dbraw/zinc/02/52/19/1119025219.db2.gz WKQJBEJOTHWZQY-QWHCGFSZSA-N 0 1 277.412 3.642 20 0 CHADMN Cc1ncc(CN[C@H](C)c2cccc(Cl)c2)s1 ZINC000037505308 1119027107 /nfs/dbraw/zinc/02/71/07/1119027107.db2.gz BYYXWHRAWPUYOD-SECBINFHSA-N 0 1 266.797 3.956 20 0 CHADMN COC[C@H](NCc1cc2c(cccc2C)[nH]1)c1ccccc1 ZINC000657368562 1119035839 /nfs/dbraw/zinc/03/58/39/1119035839.db2.gz SSJQIGZTUCVSHX-IBGZPJMESA-N 0 1 294.398 3.954 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccccn1)c1cccc(OC)c1 ZINC000152334147 1119038091 /nfs/dbraw/zinc/03/80/91/1119038091.db2.gz MRHHIXVWZDLJOW-XJKSGUPXSA-N 0 1 270.376 3.892 20 0 CHADMN CCc1cnc(CN(C)C[C@H]2CCC[C@H](C)C2)s1 ZINC001167558341 1119039724 /nfs/dbraw/zinc/03/97/24/1119039724.db2.gz MDTXBZVJYIFVSP-STQMWFEESA-N 0 1 266.454 3.964 20 0 CHADMN Cc1c[nH]c(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)n1 ZINC000657377857 1119041328 /nfs/dbraw/zinc/04/13/28/1119041328.db2.gz XBAWUJLXDVWCMN-DRZCJDIDSA-N 0 1 289.810 3.858 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2cccc(Cl)c2)nc1 ZINC000342471237 1119042104 /nfs/dbraw/zinc/04/21/04/1119042104.db2.gz LMDDRBIZFZMIFQ-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN CCc1ccc(CN(Cc2ccc(OC)cn2)C2CC2)cc1 ZINC000342470583 1119043552 /nfs/dbraw/zinc/04/35/52/1119043552.db2.gz JJLMATCONPOAJR-UHFFFAOYSA-N 0 1 296.414 3.817 20 0 CHADMN c1c(CN[C@H]2CCOC23CCCC3)noc1-c1ccccc1 ZINC000934398073 1119060816 /nfs/dbraw/zinc/06/08/16/1119060816.db2.gz RFEKJDJSMXRJDR-KRWDZBQOSA-N 0 1 298.386 3.533 20 0 CHADMN CC1(C)CN(Cc2noc(-c3ccccc3)n2)[C@H]2CCC[C@@H]21 ZINC000582374056 1119060928 /nfs/dbraw/zinc/06/09/28/1119060928.db2.gz YLJRMGVHVQBESF-GJZGRUSLSA-N 0 1 297.402 3.747 20 0 CHADMN Cc1ccc([C@H](C)CN(C)Cc2cscn2)cc1 ZINC000628155682 1128819196 /nfs/dbraw/zinc/81/91/96/1128819196.db2.gz JCHDAWTXEMWMPI-CYBMUJFWSA-N 0 1 260.406 3.687 20 0 CHADMN CCc1nc([C@H](C)NCc2cc3cccc(CC)c3o2)n[nH]1 ZINC000657421054 1119072038 /nfs/dbraw/zinc/07/20/38/1119072038.db2.gz YPDAYGHNJZPHBS-NSHDSACASA-N 0 1 298.390 3.527 20 0 CHADMN Cc1ncc(CN2CCC(OC3CCC(C)CC3)CC2)o1 ZINC000628169913 1128819831 /nfs/dbraw/zinc/81/98/31/1128819831.db2.gz MPWLJKJYIOLDDZ-UHFFFAOYSA-N 0 1 292.423 3.543 20 0 CHADMN FCCC1C[C@H]2CC[C@@H](C1)N2Cc1nc2c(o1)CCCC2 ZINC000934455143 1119075066 /nfs/dbraw/zinc/07/50/66/1119075066.db2.gz KMGDMNRWODLGDE-AGUYFDCRSA-N 0 1 292.398 3.656 20 0 CHADMN CO[C@H]1CCN(Cc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000449492396 1119076867 /nfs/dbraw/zinc/07/68/67/1119076867.db2.gz BXLGEJPLSPINMV-HZMBPMFUSA-N 0 1 288.218 3.850 20 0 CHADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000226147695 1119085179 /nfs/dbraw/zinc/08/51/79/1119085179.db2.gz BFMCZLFSKXPFMR-MLGOLLRUSA-N 0 1 291.366 3.679 20 0 CHADMN CC[C@@H](CC(F)(F)F)NCc1ccc(F)c(F)c1F ZINC000657434985 1119085519 /nfs/dbraw/zinc/08/55/19/1119085519.db2.gz NSCCBAGQRVJWGI-QMMMGPOBSA-N 0 1 285.231 3.925 20 0 CHADMN Cc1nccc(N2CC[C@H](c3ccco3)C2)c1Cl ZINC000684890074 1119094168 /nfs/dbraw/zinc/09/41/68/1119094168.db2.gz UZCMTMXSZHDPHX-NSHDSACASA-N 0 1 262.740 3.630 20 0 CHADMN CC[C@H](C)[N@@H+](CC)Cc1nc(-c2cccc(C)c2)no1 ZINC000661105385 1119099487 /nfs/dbraw/zinc/09/94/87/1119099487.db2.gz GKEAFQZQRFFCES-ZDUSSCGKSA-N 0 1 273.380 3.665 20 0 CHADMN CC[C@H](C)N(CC)Cc1nc(-c2cccc(C)c2)no1 ZINC000661105385 1119099491 /nfs/dbraw/zinc/09/94/91/1119099491.db2.gz GKEAFQZQRFFCES-ZDUSSCGKSA-N 0 1 273.380 3.665 20 0 CHADMN Cc1cccc(CN2CC[C@@H](C)C[C@@H]2c2ccco2)n1 ZINC000342606058 1119099682 /nfs/dbraw/zinc/09/96/82/1119099682.db2.gz OXWHICVCEXXJAK-CZUORRHYSA-N 0 1 270.376 3.956 20 0 CHADMN CCCn1nccc1CN[C@@H]1CCCc2ccc(F)cc21 ZINC000657456287 1119108481 /nfs/dbraw/zinc/10/84/81/1119108481.db2.gz FRKSVIXHZBYIRD-QGZVFWFLSA-N 0 1 287.382 3.599 20 0 CHADMN CC(=O)c1ccc(OCc2ccc3nc(C)[nH]c3c2)c(C)c1 ZINC000342642099 1119109012 /nfs/dbraw/zinc/10/90/12/1119109012.db2.gz AIPYXIMFYHCFMN-UHFFFAOYSA-N 0 1 294.354 3.961 20 0 CHADMN FC(F)c1ccnc(CNC2CCC(C3CCC3)CC2)n1 ZINC000657466130 1119112947 /nfs/dbraw/zinc/11/29/47/1119112947.db2.gz BJNLLZBKKMNKNP-UHFFFAOYSA-N 0 1 295.377 3.863 20 0 CHADMN CC[C@H]1CCCN(Cc2nc(C3CC3)cs2)C1 ZINC000342695236 1119128544 /nfs/dbraw/zinc/12/85/44/1119128544.db2.gz PKDDYHGMDJXANW-NSHDSACASA-N 0 1 250.411 3.643 20 0 CHADMN COc1cccc(CN[C@H](C)c2cnn(CC3CCC3)c2)c1 ZINC000934552983 1119130811 /nfs/dbraw/zinc/13/08/11/1119130811.db2.gz ZVFYDZLGHFKEDM-CQSZACIVSA-N 0 1 299.418 3.543 20 0 CHADMN Cc1ncc(CNC2(c3cccc(Cl)c3)CCC2)n1C ZINC000657499204 1119132218 /nfs/dbraw/zinc/13/22/18/1119132218.db2.gz BBKJRCYFFOUFRM-UHFFFAOYSA-N 0 1 289.810 3.551 20 0 CHADMN Clc1ccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)o1 ZINC000668628628 1119132339 /nfs/dbraw/zinc/13/23/39/1119132339.db2.gz YURREYLLRNUPJS-JSGCOSHPSA-N 0 1 283.799 3.714 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3cccnc32)ccc1F ZINC000684954270 1119141378 /nfs/dbraw/zinc/14/13/78/1119141378.db2.gz XLRDVMMAAKIDBB-INIZCTEOSA-N 0 1 270.351 3.696 20 0 CHADMN Cc1ccc([C@H](C)CN2CCO[C@@H](c3ccco3)C2)cc1 ZINC000628188416 1128824335 /nfs/dbraw/zinc/82/43/35/1128824335.db2.gz ZYURQMPWFDPDHD-CRAIPNDOSA-N 0 1 285.387 3.765 20 0 CHADMN CCCCC[N@@H+](Cc1cc(C(=O)[O-])ccc1OC)C(C)C ZINC000050126916 1119145068 /nfs/dbraw/zinc/14/50/68/1119145068.db2.gz BDQUIFCDXJRSRJ-UHFFFAOYSA-N 0 1 293.407 3.794 20 0 CHADMN Cc1occc1CN(C)CCCC(=O)c1ccccc1 ZINC000050154243 1119146747 /nfs/dbraw/zinc/14/67/47/1119146747.db2.gz ICKCVYKCNGOGHU-UHFFFAOYSA-N 0 1 271.360 3.683 20 0 CHADMN CC1(C)C[C@H](NCc2csc(-c3ccsc3)n2)CO1 ZINC000657530880 1119159350 /nfs/dbraw/zinc/15/93/50/1119159350.db2.gz UMKGMBZATDJPBZ-NSHDSACASA-N 0 1 294.445 3.529 20 0 CHADMN Cc1cnc(CN(Cc2ccccc2)[C@@H](C)C2CC2)n1C ZINC000342789064 1119168948 /nfs/dbraw/zinc/16/89/48/1119168948.db2.gz WXIJPXGBGRQQEF-HNNXBMFYSA-N 0 1 283.419 3.529 20 0 CHADMN CC[N@H+](Cc1ncc(-c2ccccc2C)o1)CC1CC1 ZINC000075739372 1119177152 /nfs/dbraw/zinc/17/71/52/1119177152.db2.gz KMEZNLLNJLRFFM-UHFFFAOYSA-N 0 1 270.376 3.882 20 0 CHADMN COc1cnc(Cl)c(Nc2ccnc(C(C)(C)C)c2)n1 ZINC001213163854 1119179035 /nfs/dbraw/zinc/17/90/35/1119179035.db2.gz ALEMPECLNHIXTC-UHFFFAOYSA-N 0 1 292.770 3.575 20 0 CHADMN CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC000075703347 1119179552 /nfs/dbraw/zinc/17/95/52/1119179552.db2.gz GCHOATXRDWHOBC-SNVBAGLBSA-N 0 1 286.778 3.538 20 0 CHADMN CCC[C@@H](C)N(C)CC(=O)Nc1cc(Cl)ccc1F ZINC000075703347 1119179556 /nfs/dbraw/zinc/17/95/56/1119179556.db2.gz GCHOATXRDWHOBC-SNVBAGLBSA-N 0 1 286.778 3.538 20 0 CHADMN CCC[C@@H](C)[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000075703544 1119179937 /nfs/dbraw/zinc/17/99/37/1119179937.db2.gz OZOBAMSNPYBQDV-OAHLLOKOSA-N 0 1 271.408 3.552 20 0 CHADMN CCC[C@@H](C)N(C)Cc1nccn1Cc1ccccc1 ZINC000075703544 1119179939 /nfs/dbraw/zinc/17/99/39/1119179939.db2.gz OZOBAMSNPYBQDV-OAHLLOKOSA-N 0 1 271.408 3.552 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@@H]2c2cccc(F)c2)on1 ZINC000075843374 1119182094 /nfs/dbraw/zinc/18/20/94/1119182094.db2.gz ONCCQIRFCKKTFM-BDJLRTHQSA-N 0 1 274.339 3.705 20 0 CHADMN Cc1ccccc1-c1cnc(CN(C)C2CCC2)o1 ZINC000075842468 1119182650 /nfs/dbraw/zinc/18/26/50/1119182650.db2.gz ANUJYJTUXNICJA-UHFFFAOYSA-N 0 1 256.349 3.634 20 0 CHADMN Cc1ccccc1-c1cnc(CN2CCC[C@H]2C)o1 ZINC000076117745 1119183541 /nfs/dbraw/zinc/18/35/41/1119183541.db2.gz WVQACBPFWAVQKN-CYBMUJFWSA-N 0 1 256.349 3.634 20 0 CHADMN Cc1cc(C)n(CC[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)n1 ZINC000076184726 1119183871 /nfs/dbraw/zinc/18/38/71/1119183871.db2.gz KWHVGNFMOYPZBV-CZUORRHYSA-N 0 1 287.407 3.566 20 0 CHADMN CCn1ccnc1CN1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000076293100 1119184812 /nfs/dbraw/zinc/18/48/12/1119184812.db2.gz YONXSNIOJXMCEK-GOSISDBHSA-N 0 1 297.446 3.666 20 0 CHADMN Cc1cc(F)ccc1C[C@@H](C)NCc1ncc(Cl)s1 ZINC000657560146 1119185769 /nfs/dbraw/zinc/18/57/69/1119185769.db2.gz WPQXVNIXLSUOEX-SNVBAGLBSA-N 0 1 298.814 3.965 20 0 CHADMN CCC(CC)NC(=O)[C@@H](C)N1CCC[C@@H]1c1ccsc1 ZINC000076989597 1119190136 /nfs/dbraw/zinc/19/01/36/1119190136.db2.gz INVFSFPFEYCTBR-IUODEOHRSA-N 0 1 294.464 3.578 20 0 CHADMN CCc1nc(C)c(C(=O)Nc2cccc(Cl)c2O)s1 ZINC000077013103 1119190785 /nfs/dbraw/zinc/19/07/85/1119190785.db2.gz LFHXGCLMAWZVQH-UHFFFAOYSA-N 0 1 296.779 3.625 20 0 CHADMN COc1ccc(F)cc1CNC1(c2ccccc2)CC1 ZINC000077378359 1119192186 /nfs/dbraw/zinc/19/21/86/1119192186.db2.gz QCTJXRDXXZUORA-UHFFFAOYSA-N 0 1 271.335 3.613 20 0 CHADMN Cc1ncccc1CN1CCC(CC(F)(F)F)CC1 ZINC000342843357 1119205735 /nfs/dbraw/zinc/20/57/35/1119205735.db2.gz QUIVNFMYNQOIPJ-UHFFFAOYSA-N 0 1 272.314 3.554 20 0 CHADMN FC1(F)C[C@@H]1OCCNCc1c(Cl)cccc1Cl ZINC000657618446 1119209796 /nfs/dbraw/zinc/20/97/96/1119209796.db2.gz UFHKGNFYKZZSTD-NSHDSACASA-N 0 1 296.144 3.507 20 0 CHADMN CC[C@H]1c2ccsc2CCN1Cc1cccn1C ZINC000153300688 1119212248 /nfs/dbraw/zinc/21/22/48/1119212248.db2.gz OBQBYEDYDVBEFC-AWEZNQCLSA-N 0 1 260.406 3.596 20 0 CHADMN COc1cccc(CNCc2cc(C)cc(C)c2)c1F ZINC000657625811 1119213433 /nfs/dbraw/zinc/21/34/33/1119213433.db2.gz IMQUARMZZCBADQ-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN COc1cc(CN(Cc2ccccc2C)C2CC2)ccn1 ZINC000342860778 1119214015 /nfs/dbraw/zinc/21/40/15/1119214015.db2.gz QPURINDDZPEXFK-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN Fc1cccc(N2CCCC2)c1CNCc1ccccc1 ZINC000119588945 1119216918 /nfs/dbraw/zinc/21/69/18/1119216918.db2.gz NGYBLXJAONWMRW-UHFFFAOYSA-N 0 1 284.378 3.716 20 0 CHADMN CSCC(C)(C)NCc1coc(-c2ccccc2)n1 ZINC000934678758 1119226269 /nfs/dbraw/zinc/22/62/69/1119226269.db2.gz WQIWBTWIAUOYDO-UHFFFAOYSA-N 0 1 276.405 3.573 20 0 CHADMN COCc1csc(CNCc2cnc(C3CC3)s2)c1 ZINC000657659139 1119228224 /nfs/dbraw/zinc/22/82/24/1119228224.db2.gz DFGPPPJRSVFTKZ-UHFFFAOYSA-N 0 1 294.445 3.518 20 0 CHADMN C[C@H]1CCC[C@@H](CNCc2c(F)cccc2Cl)O1 ZINC000657662372 1119229087 /nfs/dbraw/zinc/22/90/87/1119229087.db2.gz BDPZKXPLOYCBKT-QWRGUYRKSA-N 0 1 271.763 3.526 20 0 CHADMN Cc1cccnc1[C@H](N[C@H](C)c1cncs1)C(C)C ZINC000120518607 1119242098 /nfs/dbraw/zinc/24/20/98/1119242098.db2.gz KXWLESQCQLFYAD-TZMCWYRMSA-N 0 1 275.421 3.894 20 0 CHADMN CCC(C)(C)[C@H]1CCCN1Cc1ncc(COC)s1 ZINC000342912917 1119244158 /nfs/dbraw/zinc/24/41/58/1119244158.db2.gz NKYJZDUYEJCVBU-CYBMUJFWSA-N 0 1 282.453 3.690 20 0 CHADMN CN(CCc1ccccn1)Cc1cnc(C(C)(C)C)s1 ZINC000120815647 1119249946 /nfs/dbraw/zinc/24/99/46/1119249946.db2.gz KKRNLOWQQWTGAB-UHFFFAOYSA-N 0 1 289.448 3.510 20 0 CHADMN Cc1cnc([C@H](C)NCCc2cccc(C(F)(F)F)c2)o1 ZINC000628235299 1128832713 /nfs/dbraw/zinc/83/27/13/1128832713.db2.gz HTEPJQDUJARTNI-NSHDSACASA-N 0 1 298.308 3.895 20 0 CHADMN CC[C@@H](NCCc1c(F)cccc1F)c1nccs1 ZINC000402026354 1119259894 /nfs/dbraw/zinc/25/98/94/1119259894.db2.gz SUAVPYFAYYRDEG-CYBMUJFWSA-N 0 1 282.359 3.705 20 0 CHADMN CCOc1cccc(CN[C@@H]2CCCc3cccnc32)c1 ZINC000091661075 1119278041 /nfs/dbraw/zinc/27/80/41/1119278041.db2.gz UQIGUXWFNSTHCL-QGZVFWFLSA-N 0 1 282.387 3.648 20 0 CHADMN CC[C@]1(CO)CCCN1Cc1csc(C(F)(F)F)c1 ZINC000628245467 1128835107 /nfs/dbraw/zinc/83/51/07/1128835107.db2.gz YGMKZKJFVGSYRW-GFCCVEGCSA-N 0 1 293.354 3.504 20 0 CHADMN CCn1ccnc1[C@H](C)NC/C(C)=C\c1ccccc1 ZINC000449563669 1119292462 /nfs/dbraw/zinc/29/24/62/1119292462.db2.gz XPJDGQZJMSSVNO-ZSMUJPCHSA-N 0 1 269.392 3.657 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1CCCOc2ccc(C)cc21 ZINC000153944026 1119296896 /nfs/dbraw/zinc/29/68/96/1119296896.db2.gz IQGVXWHQIBYZGT-MRXNPFEDSA-N 0 1 286.375 3.603 20 0 CHADMN Cc1ccc(CN2CC[C@H](C)C[C@@H]2c2ccco2)cn1 ZINC000153984542 1119297933 /nfs/dbraw/zinc/29/79/33/1119297933.db2.gz MVVNFMPEXHRXMW-XJKSGUPXSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C(=O)/C=C/C3CC3)[nH]c2c1 ZINC000079813825 1119313668 /nfs/dbraw/zinc/31/36/68/1119313668.db2.gz VJFAQFCXZDNRMD-MNDMWVCDSA-N 0 1 295.386 3.501 20 0 CHADMN C[C@H](c1cccnc1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000079877614 1119318188 /nfs/dbraw/zinc/31/81/88/1119318188.db2.gz AXIIILDRUWAMSJ-CQSZACIVSA-N 0 1 280.371 3.638 20 0 CHADMN C[C@@H](NCc1cccnc1N(C)C)c1cc2ccccc2o1 ZINC000154808088 1119319433 /nfs/dbraw/zinc/31/94/33/1119319433.db2.gz BMNBAJSEAUNJCQ-CYBMUJFWSA-N 0 1 295.386 3.745 20 0 CHADMN CCCCSc1nnc(CCC2CCCC2)[nH]1 ZINC000248149559 1119322344 /nfs/dbraw/zinc/32/23/44/1119322344.db2.gz GGOFSEVVTIQCGI-UHFFFAOYSA-N 0 1 253.415 3.820 20 0 CHADMN CCCCSc1nc(CCC2CCCC2)n[nH]1 ZINC000248149559 1119322349 /nfs/dbraw/zinc/32/23/49/1119322349.db2.gz GGOFSEVVTIQCGI-UHFFFAOYSA-N 0 1 253.415 3.820 20 0 CHADMN Cc1nccc(NC(=O)c2ccc(Cl)cc2O)c1Cl ZINC000125001956 1119324859 /nfs/dbraw/zinc/32/48/59/1119324859.db2.gz ALWHVNCJRTVHKY-UHFFFAOYSA-N 0 1 297.141 3.655 20 0 CHADMN COc1cccc([C@H](C)N[C@@H](C)c2c(C)noc2C)c1 ZINC000092326767 1119326710 /nfs/dbraw/zinc/32/67/10/1119326710.db2.gz IMDOEGCEVOBGJA-QWRGUYRKSA-N 0 1 274.364 3.712 20 0 CHADMN Cc1ncc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)o1 ZINC000628264154 1128838645 /nfs/dbraw/zinc/83/86/45/1128838645.db2.gz BKWXZIBUSGWBGK-LBPRGKRZSA-N 0 1 288.313 3.538 20 0 CHADMN Cc1ccc2nc(N)n(-c3cc(OC(C)C)ccc3F)c2c1 ZINC001212308054 1128838666 /nfs/dbraw/zinc/83/86/66/1128838666.db2.gz GGBMWZDMDPZZOC-UHFFFAOYSA-N 0 1 299.349 3.842 20 0 CHADMN CCCn1c(CNCC2=CCCC2)nc2ccccc21 ZINC000657749601 1119335217 /nfs/dbraw/zinc/33/52/17/1119335217.db2.gz ZJVOECHIUMVBGC-UHFFFAOYSA-N 0 1 269.392 3.646 20 0 CHADMN COc1ccc2c(c1)C1(CC1)CN(C[C@H](C)C(F)(F)F)C2 ZINC000583291728 1119335958 /nfs/dbraw/zinc/33/59/58/1119335958.db2.gz CMQFVYLQRBKFAY-NSHDSACASA-N 0 1 299.336 3.741 20 0 CHADMN CCC1CCN(Cc2nc(C)c3ccccc3n2)CC1 ZINC000080073267 1119338133 /nfs/dbraw/zinc/33/81/33/1119338133.db2.gz FFKKHLXFAKMTOV-UHFFFAOYSA-N 0 1 269.392 3.560 20 0 CHADMN CC(C)COc1cccc(CN[C@H](CO)c2ccccc2)c1 ZINC000126589438 1119346830 /nfs/dbraw/zinc/34/68/30/1119346830.db2.gz MUKCOVIIOPRDCK-LJQANCHMSA-N 0 1 299.414 3.545 20 0 CHADMN CCN(CCC(F)(F)F)Cc1ccc(F)cc1C ZINC000092753792 1119347822 /nfs/dbraw/zinc/34/78/22/1119347822.db2.gz YVJWHIPFVQJYNO-UHFFFAOYSA-N 0 1 263.278 3.908 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ncnc2ccsc21 ZINC000343202018 1119349199 /nfs/dbraw/zinc/34/91/99/1119349199.db2.gz CDMRJYHRRLGWQA-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1nc(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)[nH]c1C ZINC000628264523 1128839790 /nfs/dbraw/zinc/83/97/90/1128839790.db2.gz QPZRIWWXODZXPC-BCDXTJNWSA-N 0 1 295.430 3.937 20 0 CHADMN C[C@@H]1CCCC[C@H]1NCC(F)(F)c1ccccc1 ZINC000227898559 1119350661 /nfs/dbraw/zinc/35/06/61/1119350661.db2.gz ZJEAPVKPVZNEDG-TZMCWYRMSA-N 0 1 253.336 3.947 20 0 CHADMN CC[C@H](C)CN(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000171950672 1119350749 /nfs/dbraw/zinc/35/07/49/1119350749.db2.gz YPHNUMIRTQWBCY-LBPRGKRZSA-N 0 1 273.380 3.523 20 0 CHADMN CCC[C@@H](NC[C@H](OC)C1CC1)c1ncccc1Cl ZINC000926488403 1119353632 /nfs/dbraw/zinc/35/36/32/1119353632.db2.gz BYCICSNSXFDEHE-KGLIPLIRSA-N 0 1 282.815 3.591 20 0 CHADMN Cc1cccc(C)c1NC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000531122924 1119360929 /nfs/dbraw/zinc/36/09/29/1119360929.db2.gz CYLYNBMNVBZUAF-UHFFFAOYSA-N 0 1 281.315 3.539 20 0 CHADMN Cc1cccc(-c2noc(C[N@@H+]3C[C@H](C)CC3(C)C)n2)c1 ZINC000472287972 1119362831 /nfs/dbraw/zinc/36/28/31/1119362831.db2.gz PXHUFMXMGOAOMP-CYBMUJFWSA-N 0 1 285.391 3.665 20 0 CHADMN C[C@H](N[C@H]1CC[C@H]1C1CC1)c1nc(C2CCCCC2)no1 ZINC000583526689 1119372221 /nfs/dbraw/zinc/37/22/21/1119372221.db2.gz XBYLEEGIYCYWCT-CQDKDKBSSA-N 0 1 289.423 3.957 20 0 CHADMN Cc1cc(F)ccc1[C@H]1CCCN1Cc1ccnc(C)n1 ZINC000449731543 1119385830 /nfs/dbraw/zinc/38/58/30/1119385830.db2.gz IZDFXNCVSVFRAP-QGZVFWFLSA-N 0 1 285.366 3.570 20 0 CHADMN Cc1nocc1CN1CCC[C@@H]1c1ccc(F)cc1C ZINC000449733027 1119386930 /nfs/dbraw/zinc/38/69/30/1119386930.db2.gz NOLUAPWHGLAZLD-MRXNPFEDSA-N 0 1 274.339 3.768 20 0 CHADMN CCc1noc(C)c1CN[C@@H](CC(C)C)c1ccncc1 ZINC000647305197 1119398463 /nfs/dbraw/zinc/39/84/63/1119398463.db2.gz VPVWYXXEALUAJL-KRWDZBQOSA-N 0 1 287.407 3.817 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNCc2ccc3c(c2)COC3)o1 ZINC000343366386 1119398545 /nfs/dbraw/zinc/39/85/45/1119398545.db2.gz OIKXAHJLBXRIHI-YVEFUNNKSA-N 0 1 283.371 3.723 20 0 CHADMN CC(C)C[C@@H]1OCCC[C@@H]1NCc1cc(C(C)(C)C)on1 ZINC000583721696 1119402032 /nfs/dbraw/zinc/40/20/32/1119402032.db2.gz KOINMOMUDZEXAK-GJZGRUSLSA-N 0 1 294.439 3.655 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1nc(-c2ccccc2C)no1 ZINC000661234669 1119404299 /nfs/dbraw/zinc/40/42/99/1119404299.db2.gz JCGAVMADCXPUGG-ZDUSSCGKSA-N 0 1 287.407 3.959 20 0 CHADMN C[C@H](NC/C=C\Cl)c1ccc(Br)cc1F ZINC000308921700 1119420224 /nfs/dbraw/zinc/42/02/24/1119420224.db2.gz CGROUBRRUOCXOR-YAPUSRSVSA-N 0 1 292.579 3.991 20 0 CHADMN CCOc1cccc(CN[C@H]2CCCc3c(C)cccc32)n1 ZINC000657799339 1119422555 /nfs/dbraw/zinc/42/25/55/1119422555.db2.gz UWDLGUYKCPBTOR-SFHVURJKSA-N 0 1 296.414 3.956 20 0 CHADMN COc1cccc(CNCc2scnc2C2CC2)c1C ZINC000657802783 1119427917 /nfs/dbraw/zinc/42/79/17/1119427917.db2.gz CQCWXYYAQVQBSO-UHFFFAOYSA-N 0 1 288.416 3.627 20 0 CHADMN CC1(C)CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000583877466 1119428714 /nfs/dbraw/zinc/42/87/14/1119428714.db2.gz LHKLFNGRMNJFAU-CQSZACIVSA-N 0 1 295.810 3.978 20 0 CHADMN CCOc1ncccc1CN[C@H](C)c1ccc(C)cc1C ZINC000151206476 1119436714 /nfs/dbraw/zinc/43/67/14/1119436714.db2.gz FGTNVCSIRIWDPT-OAHLLOKOSA-N 0 1 284.403 3.948 20 0 CHADMN CCCN(Cc1c(F)cccc1Cl)C1CCOCC1 ZINC001203410742 1119436936 /nfs/dbraw/zinc/43/69/36/1119436936.db2.gz LLMGFTVYQCQDOM-UHFFFAOYSA-N 0 1 285.790 3.870 20 0 CHADMN CC[C@H](C)CN(C)CC(=O)Nc1c(C)cccc1Cl ZINC000131901857 1119437724 /nfs/dbraw/zinc/43/77/24/1119437724.db2.gz ALVAPXCUBGBESB-NSHDSACASA-N 0 1 282.815 3.565 20 0 CHADMN CCOc1ncccc1CN[C@@H](C)c1ccc(CC)s1 ZINC000151218675 1119438193 /nfs/dbraw/zinc/43/81/93/1119438193.db2.gz JUIWDNJFWMXGSF-LBPRGKRZSA-N 0 1 290.432 3.955 20 0 CHADMN Cc1cccc(NC[C@H](C)c2nc(-c3ccccc3)no2)n1 ZINC000158260914 1119440314 /nfs/dbraw/zinc/44/03/14/1119440314.db2.gz FUPBXHWEILYTCG-LBPRGKRZSA-N 0 1 294.358 3.656 20 0 CHADMN CN(Cc1cccnc1Cl)CC1CCCCC1 ZINC000052709514 1119441035 /nfs/dbraw/zinc/44/10/35/1119441035.db2.gz RUMMMCSLJOVGIX-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](C)c2sc(C)nc2C)s1 ZINC000127114876 1119441394 /nfs/dbraw/zinc/44/13/94/1119441394.db2.gz IZTPGGFAMQXFAG-SFYZADRCSA-N 0 1 281.450 3.937 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2nc(C3CC3)cs2)CC1 ZINC000343532201 1119445040 /nfs/dbraw/zinc/44/50/40/1119445040.db2.gz PBCIDDMFMIMRPF-CQSZACIVSA-N 0 1 294.464 3.802 20 0 CHADMN CCC(CC)N(CCOC)Cc1nc(C2CC2)cs1 ZINC000343530550 1119445326 /nfs/dbraw/zinc/44/53/26/1119445326.db2.gz OJXRHJLTIWOQFE-UHFFFAOYSA-N 0 1 282.453 3.658 20 0 CHADMN Cc1nsc(C)c1CN1CC2(CCCC2)OC(C)(C)C1 ZINC000564736452 1119445877 /nfs/dbraw/zinc/44/58/77/1119445877.db2.gz OYEPXINJYGRFAA-UHFFFAOYSA-N 0 1 294.464 3.684 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(Cl)cc2)nc1 ZINC000151308380 1119448473 /nfs/dbraw/zinc/44/84/73/1119448473.db2.gz IDFOOYBLEGNGQV-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cccc(Cl)c2)c(C)n1 ZINC000132526618 1119450236 /nfs/dbraw/zinc/45/02/36/1119450236.db2.gz ZRLAJQNZBOYUGW-SNVBAGLBSA-N 0 1 275.783 3.598 20 0 CHADMN Clc1ccc(CN2CCCOCC2)c2ccccc12 ZINC000420907943 1119450738 /nfs/dbraw/zinc/45/07/38/1119450738.db2.gz WCKWOGRWHBKPNM-UHFFFAOYSA-N 0 1 275.779 3.716 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccn1)c1ccc(C(F)F)nc1 ZINC000657818510 1119457428 /nfs/dbraw/zinc/45/74/28/1119457428.db2.gz UIPCTOYVZGJGHZ-GHMZBOCLSA-N 0 1 277.318 3.826 20 0 CHADMN CCN(Cc1cc(Br)c(OC)s1)C1CC1 ZINC000133300675 1119468014 /nfs/dbraw/zinc/46/80/14/1119468014.db2.gz PQTNRYGHVZUNPO-UHFFFAOYSA-N 0 1 290.226 3.504 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@@H](c1ccccc1F)[C@@H](C)O ZINC000584058062 1119468910 /nfs/dbraw/zinc/46/89/10/1119468910.db2.gz HIQBHQQHFKFEBZ-YWPYICTPSA-N 0 1 293.407 3.968 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H]2CCCOc3ccccc32)c(C)n1 ZINC000133532448 1119471767 /nfs/dbraw/zinc/47/17/67/1119471767.db2.gz MOMCBPNOJODGDN-DYVFJYSZSA-N 0 1 297.402 3.658 20 0 CHADMN c1coc([C@@H](N[C@H]2COC3(CCC3)C2)c2ccccc2)c1 ZINC000657827354 1119474358 /nfs/dbraw/zinc/47/43/58/1119474358.db2.gz NCDVZRALBQZRCB-WBVHZDCISA-N 0 1 283.371 3.670 20 0 CHADMN CC[C@@H]1CCCC[C@H]1CN(C)[C@@H](C)c1nc(C)no1 ZINC000628327679 1128848593 /nfs/dbraw/zinc/84/85/93/1128848593.db2.gz MCPHVJZGCTWVHR-YUTCNCBUSA-N 0 1 265.401 3.587 20 0 CHADMN CCc1ccc(C)nc1N[C@H](C)C1CC(F)(F)C1 ZINC000628337752 1128848636 /nfs/dbraw/zinc/84/86/36/1128848636.db2.gz QANURUNZYUCMQN-SNVBAGLBSA-N 0 1 254.324 3.798 20 0 CHADMN CC[C@H](c1ccccc1)N(CC)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343647611 1119479095 /nfs/dbraw/zinc/47/90/95/1119479095.db2.gz JRWRGIRZKKTEHI-MRXNPFEDSA-N 0 1 297.402 3.901 20 0 CHADMN CSCCC[N@@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000343657805 1119481051 /nfs/dbraw/zinc/48/10/51/1119481051.db2.gz LRNCBADIOFHBCM-UHFFFAOYSA-N 0 1 284.494 3.986 20 0 CHADMN CSCCCN(C)Cc1cnc(C2CCCC2)s1 ZINC000343657805 1119481052 /nfs/dbraw/zinc/48/10/52/1119481052.db2.gz LRNCBADIOFHBCM-UHFFFAOYSA-N 0 1 284.494 3.986 20 0 CHADMN CCN(Cc1csc(C(F)(F)F)c1)[C@H]1CCCOC1 ZINC000628324858 1128848943 /nfs/dbraw/zinc/84/89/43/1128848943.db2.gz MFWJLTQSKIAEAD-NSHDSACASA-N 0 1 293.354 3.768 20 0 CHADMN C[C@H](NCCc1ccco1)c1nc(C(F)(F)F)cs1 ZINC000343729949 1119496882 /nfs/dbraw/zinc/49/68/82/1119496882.db2.gz QTHNEWWUWUPTRK-QMMMGPOBSA-N 0 1 290.310 3.648 20 0 CHADMN Cc1noc([C@@H](N[C@H](C)Cc2ccc(C)cc2)C(C)C)n1 ZINC000167946715 1119500612 /nfs/dbraw/zinc/50/06/12/1119500612.db2.gz NSFSGRKCQWUJQP-CJNGLKHVSA-N 0 1 287.407 3.604 20 0 CHADMN CN(Cc1cccc(F)c1Br)C(C)(C)C ZINC000307316265 1119505867 /nfs/dbraw/zinc/50/58/67/1119505867.db2.gz NHJAFQFFDPNFIR-UHFFFAOYSA-N 0 1 274.177 3.819 20 0 CHADMN CCc1noc([C@H](C)[N@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)n1 ZINC000472318879 1119514949 /nfs/dbraw/zinc/51/49/49/1119514949.db2.gz ZFUZBDJSYGPHNY-OFQRWUPVSA-N 0 1 299.418 3.646 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@H](Cc3ccccc3)[C@@H]2C)n1 ZINC000472318879 1119514952 /nfs/dbraw/zinc/51/49/52/1119514952.db2.gz ZFUZBDJSYGPHNY-OFQRWUPVSA-N 0 1 299.418 3.646 20 0 CHADMN COCCCCCN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000081604337 1119518710 /nfs/dbraw/zinc/51/87/10/1119518710.db2.gz JKYSSEBXSUBLEA-OAHLLOKOSA-N 0 1 267.800 3.904 20 0 CHADMN CSCc1ccc(CNCc2cnc(Cl)s2)cc1 ZINC000725074057 1119535658 /nfs/dbraw/zinc/53/56/58/1119535658.db2.gz ZNTVRZIEZPXPNJ-UHFFFAOYSA-N 0 1 298.864 3.949 20 0 CHADMN COCC[C@@H](C)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000088493168 1119536412 /nfs/dbraw/zinc/53/64/12/1119536412.db2.gz SAHKRGVULDFOFR-SECBINFHSA-N 0 1 297.811 3.642 20 0 CHADMN COCC[C@@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000088484735 1119539039 /nfs/dbraw/zinc/53/90/39/1119539039.db2.gz JYPOIQHBJXZACV-GFCCVEGCSA-N 0 1 290.432 3.826 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(F)cn2)cc1Cl ZINC000090468941 1119544273 /nfs/dbraw/zinc/54/42/73/1119544273.db2.gz GJLQULDNXUKMMQ-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](NCc1cc[nH]n1)CCC2 ZINC000090408773 1119544510 /nfs/dbraw/zinc/54/45/10/1119544510.db2.gz JNOOWQLBADSVIZ-KRWDZBQOSA-N 0 1 269.392 3.700 20 0 CHADMN C[C@@H]1CCCN(Cc2cccnc2Br)C[C@H]1C ZINC001137793484 1128853536 /nfs/dbraw/zinc/85/35/36/1128853536.db2.gz QTFCLYCAVTUWNV-VXGBXAGGSA-N 0 1 297.240 3.712 20 0 CHADMN Cc1c(C)c(C)c(CN[C@H](C)c2cnccn2)c(C)c1C ZINC000090581110 1119547914 /nfs/dbraw/zinc/54/79/14/1119547914.db2.gz GBBDQVBZHBFQTC-MRXNPFEDSA-N 0 1 283.419 3.870 20 0 CHADMN CCc1ccc([C@@H](CO)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000090844242 1119549686 /nfs/dbraw/zinc/54/96/86/1119549686.db2.gz BNXMRNPLEFXEAU-SCLBCKFNSA-N 0 1 287.378 3.772 20 0 CHADMN CCCn1ccc(CN2CCO[C@@](C)(c3ccccc3)C2)c1 ZINC000584445240 1119553168 /nfs/dbraw/zinc/55/31/68/1119553168.db2.gz BODFEQJNUUGWEY-LJQANCHMSA-N 0 1 298.430 3.646 20 0 CHADMN CC(C)[C@H](NCc1cc(F)ccc1F)c1cccnc1 ZINC000091333824 1119554876 /nfs/dbraw/zinc/55/48/76/1119554876.db2.gz MCJYVWORBZBVLV-INIZCTEOSA-N 0 1 276.330 3.847 20 0 CHADMN Cc1cccc2nc(CN[C@H](c3cccs3)C3CC3)cn21 ZINC000091336251 1119555351 /nfs/dbraw/zinc/55/53/51/1119555351.db2.gz OJYQHZNLJNVUAJ-KRWDZBQOSA-N 0 1 297.427 3.945 20 0 CHADMN Cc1cccc2nc(CN[C@@H](c3cccnc3)C(C)C)cn21 ZINC000091336259 1119555614 /nfs/dbraw/zinc/55/56/14/1119555614.db2.gz TWVTWHSQIJLKTB-GOSISDBHSA-N 0 1 294.402 3.525 20 0 CHADMN Fc1ccc(Cl)cc1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092073165 1119561561 /nfs/dbraw/zinc/56/15/61/1119561561.db2.gz VHLCZPFAOZUQSY-LLVKDONJSA-N 0 1 293.773 3.582 20 0 CHADMN Cc1cc(CN2CC=C(c3cc(C)cc(C)c3)CC2)on1 ZINC000092428704 1119562206 /nfs/dbraw/zinc/56/22/06/1119562206.db2.gz BADKMUQKMVQKSK-UHFFFAOYSA-N 0 1 282.387 3.889 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(F)cn2)ccc1F ZINC000092720977 1119565099 /nfs/dbraw/zinc/56/50/99/1119565099.db2.gz HNAYMJPHWUNBHL-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN CC(C)Oc1ccc(CN[C@@H](C)c2ccc(F)cn2)cc1 ZINC000092738502 1119565049 /nfs/dbraw/zinc/56/50/49/1119565049.db2.gz RSBWDJCQWULKED-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN C[C@H](N[C@H]1CCc2cc(F)ccc21)c1ccc(F)cn1 ZINC000092742093 1119565117 /nfs/dbraw/zinc/56/51/17/1119565117.db2.gz CNBYWAKTNUUSSC-QFYYESIMSA-N 0 1 274.314 3.698 20 0 CHADMN C[C@@H](N[C@H]1CCc2c1cccc2F)c1ccc(F)cn1 ZINC000092742122 1119565348 /nfs/dbraw/zinc/56/53/48/1119565348.db2.gz ISFYSJGVWBBEDJ-HWPZZCPQSA-N 0 1 274.314 3.698 20 0 CHADMN Cc1ncc(CN[C@@H]2CCCc3ccc(F)cc32)s1 ZINC000093116122 1119570013 /nfs/dbraw/zinc/57/00/13/1119570013.db2.gz ZKQBUSCDBCXXKE-OAHLLOKOSA-N 0 1 276.380 3.758 20 0 CHADMN CC[C@@H](O)CN(Cc1ccc(Cl)o1)Cc1ccccc1 ZINC000093687782 1119571603 /nfs/dbraw/zinc/57/16/03/1119571603.db2.gz ZFWJADIBXGMJER-CQSZACIVSA-N 0 1 293.794 3.706 20 0 CHADMN Cc1cc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cs1 ZINC000685314099 1119573334 /nfs/dbraw/zinc/57/33/34/1119573334.db2.gz LMKGOVGMNIECKV-UHFFFAOYSA-N 0 1 282.328 3.650 20 0 CHADMN CC1(C)CCN1Cc1cnc(-c2ccsc2)s1 ZINC000093460330 1119574596 /nfs/dbraw/zinc/57/45/96/1119574596.db2.gz BTCDJZWEUORIIQ-UHFFFAOYSA-N 0 1 264.419 3.856 20 0 CHADMN Cc1ccc(CN(Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000141794174 1119581919 /nfs/dbraw/zinc/58/19/19/1119581919.db2.gz SGIIJBVRTPQTNG-SFHVURJKSA-N 0 1 285.387 3.769 20 0 CHADMN c1cc(Oc2ccccc2)oc1CN1C[C@@H]2C[C@@H]2C1 ZINC000628410607 1128855867 /nfs/dbraw/zinc/85/58/67/1128855867.db2.gz OGBWVRNEBIZXHE-BETUJISGSA-N 0 1 255.317 3.524 20 0 CHADMN CCCC[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000211531710 1119587952 /nfs/dbraw/zinc/58/79/52/1119587952.db2.gz KWOJWPZSYIDSMX-GFCCVEGCSA-N 0 1 289.297 3.563 20 0 CHADMN Cc1cc2nc(-c3ccncc3)[nH]c2cc1Br ZINC000222837976 1119589140 /nfs/dbraw/zinc/58/91/40/1119589140.db2.gz GUEBDKBZXVMQQE-UHFFFAOYSA-N 0 1 288.148 3.696 20 0 CHADMN COc1cccc(CN2CCC=C(c3ccco3)C2)c1F ZINC000685436657 1119606926 /nfs/dbraw/zinc/60/69/26/1119606926.db2.gz PCMUYHCSZYUORS-UHFFFAOYSA-N 0 1 287.334 3.717 20 0 CHADMN Brc1c2ccccc2oc1CN1C[C@@H]2C[C@@H]2C1 ZINC000628411517 1128857427 /nfs/dbraw/zinc/85/74/27/1128857427.db2.gz HJSISQPKVZKXOP-AOOOYVTPSA-N 0 1 292.176 3.647 20 0 CHADMN C[C@H](CN(C)Cc1ncc(C2CC2)o1)C(C)(C)C ZINC000685462913 1119611042 /nfs/dbraw/zinc/61/10/42/1119611042.db2.gz KRXVPWPZJGHPCR-LLVKDONJSA-N 0 1 250.386 3.666 20 0 CHADMN Cn1ccc(CN2CC(C)(C)[C@H]2c2cccs2)c1 ZINC000685473529 1119613124 /nfs/dbraw/zinc/61/31/24/1119613124.db2.gz CMXCDSNZFDRIQO-CQSZACIVSA-N 0 1 260.406 3.670 20 0 CHADMN Oc1ccc2c(c1)CN(C[C@H]1C[C@@H]1c1ccccc1)C2 ZINC000628419469 1128857862 /nfs/dbraw/zinc/85/78/62/1128857862.db2.gz ZLYJSHZLAHVWRT-SJLPKXTDSA-N 0 1 265.356 3.512 20 0 CHADMN Fc1cc(F)c(CN2CCC[C@@H](C3CC3)C2)cc1F ZINC000685476761 1119614356 /nfs/dbraw/zinc/61/43/56/1119614356.db2.gz ZATVYTFCHQAYAS-LLVKDONJSA-N 0 1 269.310 3.726 20 0 CHADMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000466916498 1119618825 /nfs/dbraw/zinc/61/88/25/1119618825.db2.gz ULDQZPYJUISVJK-CJNGLKHVSA-N 0 1 287.382 3.632 20 0 CHADMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000466916497 1119618864 /nfs/dbraw/zinc/61/88/64/1119618864.db2.gz ULDQZPYJUISVJK-BBRMVZONSA-N 0 1 287.382 3.632 20 0 CHADMN CCCCN(Cc1nc(-c2ccc(C)cc2)no1)C1CC1 ZINC000046603001 1119620445 /nfs/dbraw/zinc/62/04/45/1119620445.db2.gz IORAXVUFHXCTKA-UHFFFAOYSA-N 0 1 285.391 3.810 20 0 CHADMN Cc1cc(-c2noc(CN[C@H](C)C(C)(C)C)n2)ccc1F ZINC000137397415 1119621692 /nfs/dbraw/zinc/62/16/92/1119621692.db2.gz HCSXQXMLDBYSDZ-LLVKDONJSA-N 0 1 291.370 3.708 20 0 CHADMN OC[C@@H](NCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000038110985 1119621698 /nfs/dbraw/zinc/62/16/98/1119621698.db2.gz DSSZZBBMRPUGEY-OAHLLOKOSA-N 0 1 295.304 3.529 20 0 CHADMN FC(F)[C@H]1CCN(Cc2cc(Cl)nc3ccccc23)C1 ZINC000782524262 1119625395 /nfs/dbraw/zinc/62/53/95/1119625395.db2.gz JBBNQTBIWJDUBV-JTQLQIEISA-N 0 1 296.748 3.975 20 0 CHADMN Fc1ccc(COC2CCN(C/C=C\Cl)CC2)cc1 ZINC000255612924 1119632085 /nfs/dbraw/zinc/63/20/85/1119632085.db2.gz FPBCFNCKIHVSFK-QPIMQUGISA-N 0 1 283.774 3.559 20 0 CHADMN Cc1nc(C)c(CN[C@@H](C)c2ccc3ncsc3c2)o1 ZINC000685573135 1119632965 /nfs/dbraw/zinc/63/29/65/1119632965.db2.gz HMDNSVKRCVGTAJ-VIFPVBQESA-N 0 1 287.388 3.752 20 0 CHADMN Cc1nc(C)c(CN[C@H](C)c2cccc(N3CCCC3)c2)o1 ZINC000685571584 1119632998 /nfs/dbraw/zinc/63/29/98/1119632998.db2.gz YDSLNEIURCDSAD-CYBMUJFWSA-N 0 1 299.418 3.742 20 0 CHADMN Cc1nc(C)c(CN[C@@H](C)c2cccc(N3CCCC3)c2)o1 ZINC000685571585 1119633113 /nfs/dbraw/zinc/63/31/13/1119633113.db2.gz YDSLNEIURCDSAD-ZDUSSCGKSA-N 0 1 299.418 3.742 20 0 CHADMN Cc1nc(C)c(CN[C@@H](c2ccc(F)c(C)c2)C2CC2)o1 ZINC000685573692 1119633956 /nfs/dbraw/zinc/63/39/56/1119633956.db2.gz IFXOALGPBAUTED-QGZVFWFLSA-N 0 1 288.366 3.980 20 0 CHADMN CC1(C)CN(Cc2cccc(Cl)c2)[C@@H]1[C@@H]1CCCO1 ZINC000685587834 1119635142 /nfs/dbraw/zinc/63/51/42/1119635142.db2.gz WQBGMWFGQKHCHN-LSDHHAIUSA-N 0 1 279.811 3.729 20 0 CHADMN CCCC[C@H](C)N(C)Cc1noc2c1CCCC2 ZINC000685612165 1119637482 /nfs/dbraw/zinc/63/74/82/1119637482.db2.gz LBUHNSUUDIOKSZ-LBPRGKRZSA-N 0 1 250.386 3.564 20 0 CHADMN CC1=C[C@@H](C)C[C@@H](CNc2cnn(-c3ccncc3)c2)C1 ZINC000685614779 1119638414 /nfs/dbraw/zinc/63/84/14/1119638414.db2.gz BCBZOXYOYWMPOZ-UKRRQHHQSA-N 0 1 282.391 3.672 20 0 CHADMN CC[C@H](C)c1cccc(NC(=O)[C@H](C)Cc2cnc[nH]2)c1 ZINC000628430675 1128860424 /nfs/dbraw/zinc/86/04/24/1128860424.db2.gz FFZQUTKLSZRFQG-QWHCGFSZSA-N 0 1 285.391 3.741 20 0 CHADMN Cn1ncc(CN[C@@H]2CCSc3ccccc32)c1C1CC1 ZINC000892415538 1119656018 /nfs/dbraw/zinc/65/60/18/1119656018.db2.gz JMXRRWKBUNOBOV-OAHLLOKOSA-N 0 1 299.443 3.624 20 0 CHADMN CC(=O)Nc1cccc(CN[C@@H](C)c2ccccc2F)c1 ZINC000101543357 1119656259 /nfs/dbraw/zinc/65/62/59/1119656259.db2.gz TWMIDISCOPMFAO-LBPRGKRZSA-N 0 1 286.350 3.635 20 0 CHADMN CCC[C@H](NCc1ccc(OC)o1)c1ccccc1 ZINC000892419082 1119660693 /nfs/dbraw/zinc/66/06/93/1119660693.db2.gz ZEDJOFADCBXURP-HNNXBMFYSA-N 0 1 259.349 3.919 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@@H]1CCCn2nccc21 ZINC000658003965 1119665382 /nfs/dbraw/zinc/66/53/82/1119665382.db2.gz WPRUIGZLMVFPKP-TZMCWYRMSA-N 0 1 287.432 3.791 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(C(F)F)nc2)nc1C ZINC000658035391 1119671826 /nfs/dbraw/zinc/67/18/26/1119671826.db2.gz MRIUVZJDYAVUOR-LBPRGKRZSA-N 0 1 291.345 3.882 20 0 CHADMN CC[C@@H](Cc1ccc(Cl)cc1)N[C@H](C)c1csnn1 ZINC000658036409 1119672200 /nfs/dbraw/zinc/67/22/00/1119672200.db2.gz QJMPSUXGPOHHTE-MFKMUULPSA-N 0 1 295.839 3.863 20 0 CHADMN C[C@H](NCc1cccnc1N1CCCC1)c1ccccc1 ZINC000658102015 1119685581 /nfs/dbraw/zinc/68/55/81/1119685581.db2.gz UDVYYBIYPWQAKB-HNNXBMFYSA-N 0 1 281.403 3.533 20 0 CHADMN C[C@H](NC/C=C/CO)c1ccc(Cl)c(Cl)c1Cl ZINC000658132771 1119687039 /nfs/dbraw/zinc/68/70/39/1119687039.db2.gz MYUXCWTYJYRBGA-SGJFDWMWSA-N 0 1 294.609 3.846 20 0 CHADMN C[C@H](NC/C=C\CO)c1ccc(Cl)c(Cl)c1Cl ZINC000658132769 1119687164 /nfs/dbraw/zinc/68/71/64/1119687164.db2.gz MYUXCWTYJYRBGA-KZUAUGPASA-N 0 1 294.609 3.846 20 0 CHADMN COc1cccc(OC)c1CN[C@H](C)c1cccs1 ZINC000658123211 1119688957 /nfs/dbraw/zinc/68/89/57/1119688957.db2.gz ZZVQSXFRYMGACS-LLVKDONJSA-N 0 1 277.389 3.616 20 0 CHADMN C[C@H](NCC(F)(F)C(C)(C)C)C(C)(C)C(F)F ZINC000658337838 1119727578 /nfs/dbraw/zinc/72/75/78/1119727578.db2.gz HGWYIGDBQZZUAP-QMMMGPOBSA-N 0 1 257.315 3.937 20 0 CHADMN CC(C)[C@@H](N[C@@H]1CCCn2nccc21)c1ccccc1F ZINC000658168331 1119695929 /nfs/dbraw/zinc/69/59/29/1119695929.db2.gz SOAFTHWIHHBJOP-NVXWUHKLSA-N 0 1 287.382 3.844 20 0 CHADMN C[C@H](COc1c(F)cccc1F)N[C@H](C)c1nccs1 ZINC000658177142 1119696608 /nfs/dbraw/zinc/69/66/08/1119696608.db2.gz CSBVBHOMUQYMAW-NXEZZACHSA-N 0 1 298.358 3.539 20 0 CHADMN C[C@@H](NCCC(C)(C)F)c1ncc(Br)s1 ZINC000658192217 1119699692 /nfs/dbraw/zinc/69/96/92/1119699692.db2.gz BTWHRKLIKFNXPS-SSDOTTSWSA-N 0 1 295.221 3.694 20 0 CHADMN CC(C)C[C@H](NCc1c(C2CC2)cnn1C)c1ccccn1 ZINC000658211517 1119700213 /nfs/dbraw/zinc/70/02/13/1119700213.db2.gz CWUMQQSZXWTFRA-KRWDZBQOSA-N 0 1 298.434 3.570 20 0 CHADMN COc1cccc2c1CN([C@@H](C)Cc1ccsc1)C2 ZINC000628462448 1128863707 /nfs/dbraw/zinc/86/37/07/1128863707.db2.gz USAWFQWBZMSQDT-LBPRGKRZSA-N 0 1 273.401 3.704 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@H]2CCC[C@@H](C)O2)cs1 ZINC000658216737 1119708884 /nfs/dbraw/zinc/70/88/84/1119708884.db2.gz AWBMPUIRJHCBHW-FRRDWIJNSA-N 0 1 282.453 3.875 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C12CCC2)c1cscn1 ZINC000658254357 1119714272 /nfs/dbraw/zinc/71/42/72/1119714272.db2.gz PRQDTCSEDSDGHK-FPMFFAJLSA-N 0 1 294.464 3.920 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H]2C(C)(C)C2(F)F)c(C)s1 ZINC000658281604 1119715697 /nfs/dbraw/zinc/71/56/97/1119715697.db2.gz QQRHBTWUNWERPN-GMSGAONNSA-N 0 1 274.380 3.702 20 0 CHADMN COc1ccc([C@@H](NCC2=CCCC2)c2ccccn2)cc1 ZINC000658291917 1119718440 /nfs/dbraw/zinc/71/84/40/1119718440.db2.gz WUTIJOYFCZTBIV-LJQANCHMSA-N 0 1 294.398 3.880 20 0 CHADMN CC(C)[C@H](O)[C@@H](N[C@@H](C)c1ccco1)c1ccccc1 ZINC000658289038 1119718767 /nfs/dbraw/zinc/71/87/67/1119718767.db2.gz VUROMOLJVUDNDY-JQFCIGGWSA-N 0 1 273.376 3.688 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(Cl)cc2)o1 ZINC000892430817 1119719227 /nfs/dbraw/zinc/71/92/27/1119719227.db2.gz KTOSBUOHCBWOME-JTQLQIEISA-N 0 1 265.740 3.792 20 0 CHADMN C[C@H](NCCc1nsc2ccccc12)c1cscn1 ZINC000658318059 1119722677 /nfs/dbraw/zinc/72/26/77/1119722677.db2.gz ONONFRCDLITFEW-JTQLQIEISA-N 0 1 289.429 3.646 20 0 CHADMN COc1cccc(C2(N[C@H](C)c3ccccn3)CCC2)c1 ZINC000658323027 1119723697 /nfs/dbraw/zinc/72/36/97/1119723697.db2.gz HFDZQEAZQIVJNK-CQSZACIVSA-N 0 1 282.387 3.820 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@@H]2N[C@@H](C)c1nccn1C ZINC000658336021 1119726060 /nfs/dbraw/zinc/72/60/60/1119726060.db2.gz LVMNGURINAAQOP-HOCLYGCPSA-N 0 1 283.419 3.765 20 0 CHADMN Cc1ccc([C@@H](N[C@@H](C)c2nccn2C)C2CCC2)cc1 ZINC000658337214 1119726178 /nfs/dbraw/zinc/72/61/78/1119726178.db2.gz SZJKGXVZZQXAHE-YOEHRIQHSA-N 0 1 283.419 3.921 20 0 CHADMN COC1([C@@H](C)NCC(F)(F)C(C)(C)C)CCCC1 ZINC000658339116 1119727305 /nfs/dbraw/zinc/72/73/05/1119727305.db2.gz ORGCUNKDABMUKR-LLVKDONJSA-N 0 1 263.372 3.605 20 0 CHADMN Cn1nccc1[C@H]1CCC[C@@H](NCC(F)(F)C(C)(C)C)C1 ZINC000658337433 1119727312 /nfs/dbraw/zinc/72/73/12/1119727312.db2.gz DRYYAPQYOLCQRR-QWHCGFSZSA-N 0 1 299.409 3.717 20 0 CHADMN Cn1nccc1[C@H]1CCC[C@H](NCC(F)(F)C(C)(C)C)C1 ZINC000658337434 1119727765 /nfs/dbraw/zinc/72/77/65/1119727765.db2.gz DRYYAPQYOLCQRR-STQMWFEESA-N 0 1 299.409 3.717 20 0 CHADMN Cc1cccc2c1CCC[C@H]2N[C@@H](C)c1cc2n(n1)CCC2 ZINC000658339527 1119728091 /nfs/dbraw/zinc/72/80/91/1119728091.db2.gz KTSBLCAZPRSXNY-KBXCAEBGSA-N 0 1 295.430 3.866 20 0 CHADMN CC[C@H](N[C@H](c1ccccc1)[C@@H](C)O)c1ccccc1F ZINC000658358971 1119730787 /nfs/dbraw/zinc/73/07/87/1119730787.db2.gz BOVBZKUMKIFGIX-BVGQSLNGSA-N 0 1 287.378 3.989 20 0 CHADMN C[C@@H]1CC[C@H](C(F)(F)F)CN1C[C@@H]1CC1(Cl)Cl ZINC000780384027 1119734014 /nfs/dbraw/zinc/73/40/14/1119734014.db2.gz FFVZRHORXIBRET-VGMNWLOBSA-N 0 1 290.156 3.843 20 0 CHADMN CC[C@@H](NCc1ccc(OC)o1)c1ccc(C)cc1 ZINC000892438105 1119735840 /nfs/dbraw/zinc/73/58/40/1119735840.db2.gz FZBXRYYJEUPSMW-OAHLLOKOSA-N 0 1 259.349 3.838 20 0 CHADMN CCSc1ccc([C@H](C)N[C@H](C)c2ccnn2C)cc1 ZINC000192818724 1119744084 /nfs/dbraw/zinc/74/40/84/1119744084.db2.gz ORCCPSVZVDQMDO-QWHCGFSZSA-N 0 1 289.448 3.944 20 0 CHADMN CN1CCN(Cc2ccc(Cl)cc2)Cc2ccccc21 ZINC000006368204 1119756035 /nfs/dbraw/zinc/75/60/35/1119756035.db2.gz RPAASOGSZUJIOM-UHFFFAOYSA-N 0 1 286.806 3.792 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H]1C[C@H](C)c2ccccc21 ZINC000343811165 1119756509 /nfs/dbraw/zinc/75/65/09/1119756509.db2.gz AKHXVNSCSNAJOW-GDZNZVCISA-N 0 1 282.387 3.989 20 0 CHADMN CC[C@H](N[C@H]1CCCc2n[nH]cc21)c1cc(F)ccc1F ZINC000375840335 1119766710 /nfs/dbraw/zinc/76/67/10/1119766710.db2.gz PASSLBQEFMYAQD-GJZGRUSLSA-N 0 1 291.345 3.806 20 0 CHADMN C[C@H]1Cc2ccc(F)cc2[C@H]1NCc1cccc2c1OCO2 ZINC000151036768 1119766746 /nfs/dbraw/zinc/76/67/46/1119766746.db2.gz KWJMKAWLRGJAIA-GTNSWQLSSA-N 0 1 299.345 3.578 20 0 CHADMN COc1ccc(CN[C@H](c2ccccc2)C2CC2)o1 ZINC000892485676 1119775532 /nfs/dbraw/zinc/77/55/32/1119775532.db2.gz LOZDVOVFCYHXRJ-MRXNPFEDSA-N 0 1 257.333 3.529 20 0 CHADMN COc1nccc(CN[C@@H](c2cccs2)C2CC2)c1F ZINC000892488309 1119777550 /nfs/dbraw/zinc/77/75/50/1119777550.db2.gz KHNFYVRRQMUWJA-CQSZACIVSA-N 0 1 292.379 3.532 20 0 CHADMN Cc1ncsc1CCNCc1csc(C(C)(C)C)n1 ZINC000294704637 1119778181 /nfs/dbraw/zinc/77/81/81/1119778181.db2.gz BMWGLYZPYFQUQA-UHFFFAOYSA-N 0 1 295.477 3.538 20 0 CHADMN Cc1nc(CN2C[C@H](C)CC[C@H]2c2ccccc2)[nH]c1C ZINC000628272890 1119782179 /nfs/dbraw/zinc/78/21/79/1119782179.db2.gz BJTPPPPVZYAORP-DYVFJYSZSA-N 0 1 283.419 4.000 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2CCCc3ccc(F)cc32)o1 ZINC000628256416 1119787548 /nfs/dbraw/zinc/78/75/48/1119787548.db2.gz VYVIQJSVXZQBRG-OAHLLOKOSA-N 0 1 274.339 3.598 20 0 CHADMN COc1cncc(CN[C@H](C)c2ccc3ncsc3c2)c1 ZINC000343825082 1119792958 /nfs/dbraw/zinc/79/29/58/1119792958.db2.gz QFLOOMIZVDTJLC-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN C[C@@H](N[C@H](C)c1cccs1)c1cn2c(n1)CCCC2 ZINC000924549280 1119799818 /nfs/dbraw/zinc/79/98/18/1119799818.db2.gz SNUUNZQVRFIXOO-VXGBXAGGSA-N 0 1 275.421 3.693 20 0 CHADMN COc1ccc(CN(C)C/C(C)=C\c2ccccc2)cn1 ZINC000570130644 1119801177 /nfs/dbraw/zinc/80/11/77/1119801177.db2.gz RCQFAJRAMIPWBN-PTNGSMBKSA-N 0 1 282.387 3.626 20 0 CHADMN CC[C@@H]1CCCC[C@H]1CNCc1nccc(C(F)F)n1 ZINC000628281907 1119802494 /nfs/dbraw/zinc/80/24/94/1119802494.db2.gz FRHXUKUWFORGJW-NEPJUHHUSA-N 0 1 283.366 3.720 20 0 CHADMN Cc1ccc([C@@H](N[C@H]2C=CCC2)c2cccnc2)cc1 ZINC000926691683 1119815857 /nfs/dbraw/zinc/81/58/57/1119815857.db2.gz UQWQMBREBXAIIG-ZWKOTPCHSA-N 0 1 264.372 3.788 20 0 CHADMN CC[C@H](C(=O)NOC1CCCCC1)c1ccc(OC)cc1 ZINC000779325042 1128871065 /nfs/dbraw/zinc/87/10/65/1128871065.db2.gz JUASNGPIUWQASK-INIZCTEOSA-N 0 1 291.391 3.569 20 0 CHADMN CSc1cc(C)ccc1NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000413910409 1119823961 /nfs/dbraw/zinc/82/39/61/1119823961.db2.gz UKSVKSQTVHIKIJ-BETUJISGSA-N 0 1 292.448 3.528 20 0 CHADMN CC(C)C1CN(Cc2ccccc2Br)C1 ZINC000133336867 1119828578 /nfs/dbraw/zinc/82/85/78/1119828578.db2.gz MFYKVIFHUOCNIC-UHFFFAOYSA-N 0 1 268.198 3.537 20 0 CHADMN Cc1nc(CN[C@H]2CCCC23CCCCC3)oc1C ZINC000313022253 1119828799 /nfs/dbraw/zinc/82/87/99/1119828799.db2.gz BCAHPHYSUKLLAO-AWEZNQCLSA-N 0 1 262.397 3.884 20 0 CHADMN CO[C@@](C)(CN[C@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000291268876 1119832255 /nfs/dbraw/zinc/83/22/55/1119832255.db2.gz QODCPZMBBOAGCD-MOPGFXCFSA-N 0 1 296.414 3.576 20 0 CHADMN Clc1cccc(Cl)c1C1(NC[C@H]2CCCO2)CC1 ZINC000411485370 1119845809 /nfs/dbraw/zinc/84/58/09/1119845809.db2.gz QHHPXFSIEUZOOP-SNVBAGLBSA-N 0 1 286.202 3.751 20 0 CHADMN CC1=C[C@H](C)C[C@H](C[N@H+]2CCOC[C@H]2c2ccco2)C1 ZINC000685837173 1119856916 /nfs/dbraw/zinc/85/69/16/1119856916.db2.gz NMNBVCCDXUWPOD-BPUTZDHNSA-N 0 1 275.392 3.645 20 0 CHADMN CC1=C[C@H](C)C[C@H](CN2CCOC[C@H]2c2ccco2)C1 ZINC000685837173 1119856920 /nfs/dbraw/zinc/85/69/20/1119856920.db2.gz NMNBVCCDXUWPOD-BPUTZDHNSA-N 0 1 275.392 3.645 20 0 CHADMN CC1=C[C@H](C)C[C@H](C[N@H+]2CCOC[C@@H]2c2ccco2)C1 ZINC000685837174 1119857059 /nfs/dbraw/zinc/85/70/59/1119857059.db2.gz NMNBVCCDXUWPOD-CWRNSKLLSA-N 0 1 275.392 3.645 20 0 CHADMN CC1=C[C@H](C)C[C@H](CN2CCOC[C@@H]2c2ccco2)C1 ZINC000685837174 1119857064 /nfs/dbraw/zinc/85/70/64/1119857064.db2.gz NMNBVCCDXUWPOD-CWRNSKLLSA-N 0 1 275.392 3.645 20 0 CHADMN C[C@H](N[C@H]1CCCc2c(Cl)ccnc21)c1cccnc1 ZINC000924564973 1119861238 /nfs/dbraw/zinc/86/12/38/1119861238.db2.gz QKCVFRVSXRKXFU-NHYWBVRUSA-N 0 1 287.794 3.858 20 0 CHADMN Cc1cn[nH]c1CN1C[C@H](C(C)(C)C)c2ccccc21 ZINC000685844942 1119864580 /nfs/dbraw/zinc/86/45/80/1119864580.db2.gz MCORULAVMICGIM-AWEZNQCLSA-N 0 1 269.392 3.868 20 0 CHADMN Cc1cn[nH]c1CN1C[C@@H](c2ccccc2)c2ccccc21 ZINC000685844965 1119865281 /nfs/dbraw/zinc/86/52/81/1119865281.db2.gz NXTGLRXUSFQXGO-KRWDZBQOSA-N 0 1 289.382 3.870 20 0 CHADMN CS[C@H]1CC[C@H]1NCc1c(Cl)cccc1Cl ZINC000381576043 1119882829 /nfs/dbraw/zinc/88/28/29/1119882829.db2.gz ZZUABCPFXFOHNM-NEPJUHHUSA-N 0 1 276.232 3.977 20 0 CHADMN CCCc1cc(C(=O)N2CCC(C)(CC(C)C)CC2)n[nH]1 ZINC000685860439 1119886296 /nfs/dbraw/zinc/88/62/96/1119886296.db2.gz MCUFGDNTXZFKDS-UHFFFAOYSA-N 0 1 291.439 3.651 20 0 CHADMN COC(C)(C)CN[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414093544 1119894883 /nfs/dbraw/zinc/89/48/83/1119894883.db2.gz FTJMYTFTMCSZJY-LBPRGKRZSA-N 0 1 290.432 3.886 20 0 CHADMN CCCc1ccc(CNCc2ccc(OC)cc2OC)cc1 ZINC000613268171 1119894911 /nfs/dbraw/zinc/89/49/11/1119894911.db2.gz NWIANXTUQCJASM-UHFFFAOYSA-N 0 1 299.414 3.946 20 0 CHADMN COc1c(C)cc(CN(C)CCC(F)(F)F)cc1C ZINC000157766905 1119896930 /nfs/dbraw/zinc/89/69/30/1119896930.db2.gz RQDZFIQWTSIXJB-UHFFFAOYSA-N 0 1 275.314 3.696 20 0 CHADMN CC1(C)C[C@@]1(NCc1ccc2c(n1)CCC2)c1ccccc1 ZINC000668813361 1119900245 /nfs/dbraw/zinc/90/02/45/1119900245.db2.gz CMWOAZGYQSOXSJ-HXUWFJFHSA-N 0 1 292.426 3.985 20 0 CHADMN CC(C)[C@H]1C[C@@H](N[C@@H](C)c2ccn(C)n2)c2ccccc21 ZINC000414123909 1119908033 /nfs/dbraw/zinc/90/80/33/1119908033.db2.gz BURFZWHPPRDONE-FDQGKXFDSA-N 0 1 283.419 3.955 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](N[C@H](C)c1ccn(C)n1)CC2 ZINC000414127009 1119909252 /nfs/dbraw/zinc/90/92/52/1119909252.db2.gz FRHSFLUKNHPJFW-ACJLOTCBSA-N 0 1 283.419 3.882 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@@H](C)c2cc3n(n2)CCC3)c1 ZINC000414129834 1119910058 /nfs/dbraw/zinc/91/00/58/1119910058.db2.gz VMKRCXZVSINGFP-GJZGRUSLSA-N 0 1 283.419 3.858 20 0 CHADMN CC[C@H]1CC[C@H](N[C@H](C)c2ncc(C(=O)OC)s2)CC1 ZINC000414152911 1119918536 /nfs/dbraw/zinc/91/85/36/1119918536.db2.gz XPSUIFFRLCKUFE-IJLUTSLNSA-N 0 1 296.436 3.549 20 0 CHADMN C[C@@H]1CCN(Cc2cn3ccccc3n2)[C@H]2CCCC[C@H]12 ZINC000613416850 1119920504 /nfs/dbraw/zinc/92/05/04/1119920504.db2.gz ZSGBPOWVQTXALY-OIISXLGYSA-N 0 1 283.419 3.735 20 0 CHADMN COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1cnc(C)o1 ZINC000414187357 1119931724 /nfs/dbraw/zinc/93/17/24/1119931724.db2.gz QKTOBNBGLNSHKH-INIZCTEOSA-N 0 1 286.375 3.504 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1ccn(C)n1)c1ccc(OC)cc1 ZINC000414192841 1119933069 /nfs/dbraw/zinc/93/30/69/1119933069.db2.gz TVQDMSJOWIXQTH-SUMWQHHRSA-N 0 1 287.407 3.621 20 0 CHADMN CC1CCC(N(Cc2nc(C(C)(C)C)no2)C2CC2)CC1 ZINC000613472592 1119933448 /nfs/dbraw/zinc/93/34/48/1119933448.db2.gz HYRNQWRYHOXYRJ-UHFFFAOYSA-N 0 1 291.439 3.910 20 0 CHADMN CC[C@@H](NCc1cnc(F)cc1C)c1ccccc1OC ZINC000892560402 1119942516 /nfs/dbraw/zinc/94/25/16/1119942516.db2.gz GXOUWAOPRMSFAF-OAHLLOKOSA-N 0 1 288.366 3.779 20 0 CHADMN C[C@H](N[C@H]1CC1(C)C)c1ncc(-c2ccccc2)n1C ZINC000414221990 1119945875 /nfs/dbraw/zinc/94/58/75/1119945875.db2.gz NNNFHLQHIRJRKQ-WFASDCNBSA-N 0 1 269.392 3.536 20 0 CHADMN CCc1ccc(NC(=O)[C@H](C)N2CCC(CC)CC2)cc1 ZINC000613503202 1119946647 /nfs/dbraw/zinc/94/66/47/1119946647.db2.gz ZFJYONCFTRARIN-AWEZNQCLSA-N 0 1 288.435 3.698 20 0 CHADMN CCOc1ccc(C[N@@H+](CC)Cc2cccs2)nc1 ZINC000083596101 1119962269 /nfs/dbraw/zinc/96/22/69/1119962269.db2.gz ONXSPWWWRVZMJR-UHFFFAOYSA-N 0 1 276.405 3.564 20 0 CHADMN CCOc1ccc(CN(CC)Cc2cccs2)nc1 ZINC000083596101 1119962271 /nfs/dbraw/zinc/96/22/71/1119962271.db2.gz ONXSPWWWRVZMJR-UHFFFAOYSA-N 0 1 276.405 3.564 20 0 CHADMN CCn1ccnc1NCc1ccc(C(F)(F)F)c(C)c1 ZINC000414310072 1119976957 /nfs/dbraw/zinc/97/69/57/1119976957.db2.gz YTQQDKBGAIBVIM-UHFFFAOYSA-N 0 1 283.297 3.842 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2ccc(OC(C)C)cc2)cn1 ZINC000414317202 1119980227 /nfs/dbraw/zinc/98/02/27/1119980227.db2.gz VPLFCBCSTVJRPQ-AWEZNQCLSA-N 0 1 299.418 3.677 20 0 CHADMN Cc1ccccc1C1CC(NCc2nnc(C3CC3)s2)C1 ZINC000414325595 1119984042 /nfs/dbraw/zinc/98/40/42/1119984042.db2.gz MLIVUHFPFCWZHE-UHFFFAOYSA-N 0 1 299.443 3.760 20 0 CHADMN CC(C)C[C@@H](C)C[C@H](C)NCc1nnc(C2CC2)s1 ZINC000414328855 1119985226 /nfs/dbraw/zinc/98/52/26/1119985226.db2.gz QICLUJGPDZXUHU-NEPJUHHUSA-N 0 1 281.469 3.966 20 0 CHADMN CCOc1ccc(CNCc2ccc(C)cc2C)o1 ZINC000892616517 1119985255 /nfs/dbraw/zinc/98/52/55/1119985255.db2.gz NWDBSBSHYXPQNE-UHFFFAOYSA-N 0 1 259.349 3.585 20 0 CHADMN CCc1nocc1CN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000660179048 1128883543 /nfs/dbraw/zinc/88/35/43/1128883543.db2.gz IXNHUTPDOSAUTE-ZDUSSCGKSA-N 0 1 288.391 3.875 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCC[C@@H]1[C@H]1CCCO1 ZINC000376488653 1120011046 /nfs/dbraw/zinc/01/10/46/1120011046.db2.gz RWIHOXVOFNXASJ-IAGOWNOFSA-N 0 1 286.350 3.522 20 0 CHADMN Cc1ccc(/C=C/Cc2nc(C3(N)CCCCC3)no2)cc1 ZINC000562970215 1120014086 /nfs/dbraw/zinc/01/40/86/1120014086.db2.gz ZGDNQDRMTMBANH-AATRIKPKSA-N 0 1 297.402 3.752 20 0 CHADMN CC1=C(Br)CN(C[C@H]2CCC(F)(F)C2)CC1 ZINC000829397449 1120017289 /nfs/dbraw/zinc/01/72/89/1120017289.db2.gz HIYBJMWTKRSHBH-JTQLQIEISA-N 0 1 294.183 3.796 20 0 CHADMN Cc1cccc(-c2noc(CN(C)[C@@H](C)C3(C)CC3)n2)c1 ZINC000177230183 1120028321 /nfs/dbraw/zinc/02/83/21/1120028321.db2.gz ODXXRGOMPGBGRA-ZDUSSCGKSA-N 0 1 285.391 3.665 20 0 CHADMN COc1ccc([C@H](NCc2c(C)noc2C)C2CC2)cc1 ZINC000105985050 1120044442 /nfs/dbraw/zinc/04/44/42/1120044442.db2.gz KVYZANGAVSDYMO-QGZVFWFLSA-N 0 1 286.375 3.541 20 0 CHADMN COc1ccc([C@@H](NCc2c(C)noc2C)C2CC2)cc1 ZINC000105985052 1120044590 /nfs/dbraw/zinc/04/45/90/1120044590.db2.gz KVYZANGAVSDYMO-KRWDZBQOSA-N 0 1 286.375 3.541 20 0 CHADMN CC1CCC(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000089583575 1120048723 /nfs/dbraw/zinc/04/87/23/1120048723.db2.gz WEOWNCYZJAZXCH-UHFFFAOYSA-N 0 1 275.392 3.643 20 0 CHADMN CN(Cc1ccc(Oc2ccccc2)o1)CC1(C)COC1 ZINC000628423757 1120052303 /nfs/dbraw/zinc/05/23/03/1120052303.db2.gz JBAQPHWTPHFGNH-UHFFFAOYSA-N 0 1 287.359 3.540 20 0 CHADMN Cc1ccc2nc(N)n(-c3cccc(Cl)c3)c2c1 ZINC000094660663 1120054120 /nfs/dbraw/zinc/05/41/20/1120054120.db2.gz WSNNCVFUQQZTFJ-UHFFFAOYSA-N 0 1 257.724 3.570 20 0 CHADMN CC[C@@H](NCc1ccc(C)c(F)c1)c1cccc(OC)n1 ZINC000924589934 1120060136 /nfs/dbraw/zinc/06/01/36/1120060136.db2.gz NIMATMXWTZIDMF-OAHLLOKOSA-N 0 1 288.366 3.779 20 0 CHADMN Cc1ccc(C)c(OCCN2CCOc3ccccc3C2)c1 ZINC000613565191 1120064399 /nfs/dbraw/zinc/06/43/99/1120064399.db2.gz ZGGSHLYAPALTAM-UHFFFAOYSA-N 0 1 297.398 3.577 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000091780939 1120076631 /nfs/dbraw/zinc/07/66/31/1120076631.db2.gz CDCCQUCJNMYPFH-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN CC[C@@H](NCc1cccc(OC)n1)c1ccc(C)cc1 ZINC000178753841 1120082448 /nfs/dbraw/zinc/08/24/48/1120082448.db2.gz WURHHZFSASELQO-MRXNPFEDSA-N 0 1 270.376 3.640 20 0 CHADMN CC(C)[C@H](C)CN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000188050145 1120082724 /nfs/dbraw/zinc/08/27/24/1120082724.db2.gz OKDRIRWSAIJFLI-DOMZBBRYSA-N 0 1 275.371 3.520 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1c(C)cc(C)cc1C ZINC000135119233 1120083239 /nfs/dbraw/zinc/08/32/39/1120083239.db2.gz WBEIWCGWULHCDC-UHFFFAOYSA-N 0 1 299.418 3.697 20 0 CHADMN CC(C)[C@H](C)CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000188050190 1120083703 /nfs/dbraw/zinc/08/37/03/1120083703.db2.gz OKDRIRWSAIJFLI-IUODEOHRSA-N 0 1 275.371 3.520 20 0 CHADMN COc1ccc(F)cc1-c1ccc(F)c(CN(C)C)c1 ZINC001239724525 1120084316 /nfs/dbraw/zinc/08/43/16/1120084316.db2.gz SMOJVHFJVKQJKY-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN CN(C(=O)c1cccc2n[nH]cc21)C(C)(C)c1ccccc1 ZINC000671891616 1120087040 /nfs/dbraw/zinc/08/70/40/1120087040.db2.gz QLNWHRNQMVRHGB-UHFFFAOYSA-N 0 1 293.370 3.570 20 0 CHADMN c1cn2c(n1)[C@@H](NCc1cccc3ccsc31)CCC2 ZINC000655791947 1120091840 /nfs/dbraw/zinc/09/18/40/1120091840.db2.gz HVWNYOIZDIWULZ-AWEZNQCLSA-N 0 1 283.400 3.723 20 0 CHADMN Cc1nc(F)ccc1CNC1(c2ccc(F)cc2)CCC1 ZINC000785446482 1120094697 /nfs/dbraw/zinc/09/46/97/1120094697.db2.gz SFYNUTJVZVPHQS-UHFFFAOYSA-N 0 1 288.341 3.837 20 0 CHADMN CC(C)=CCO[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001205026227 1120100705 /nfs/dbraw/zinc/10/07/05/1120100705.db2.gz TXXAOIYAENXUBH-MRXNPFEDSA-N 0 1 279.811 3.897 20 0 CHADMN O=C1[C@H]2CCCCCC2=NN1c1nc2ccccc2s1 ZINC000107892408 1120102598 /nfs/dbraw/zinc/10/25/98/1120102598.db2.gz XGNALKIEONTPME-JTQLQIEISA-N 0 1 285.372 3.579 20 0 CHADMN Cc1ncsc1CC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000172534572 1120105718 /nfs/dbraw/zinc/10/57/18/1120105718.db2.gz UCYFMEZCNAULRW-UHFFFAOYSA-N 0 1 297.427 3.534 20 0 CHADMN Cc1ncsc1CCN1CCc2[nH]c3ccccc3c2C1 ZINC000172534572 1120105720 /nfs/dbraw/zinc/10/57/20/1120105720.db2.gz UCYFMEZCNAULRW-UHFFFAOYSA-N 0 1 297.427 3.534 20 0 CHADMN C[C@H](c1ccccc1)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000605594918 1120109404 /nfs/dbraw/zinc/10/94/04/1120109404.db2.gz VWECTBYWVRXULV-TZMCWYRMSA-N 0 1 287.325 3.791 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](C/C=C/c1ccc(Cl)cc1)C1CCC1 ZINC000659794994 1120111658 /nfs/dbraw/zinc/11/16/58/1120111658.db2.gz CXBPMXMLUOPJTN-PCAWENJQSA-N 0 1 293.794 3.681 20 0 CHADMN CCc1ccc([C@H]2CC[N@@H+](CCCCCC(=O)[O-])C2)cc1 ZINC000659795869 1120112421 /nfs/dbraw/zinc/11/24/21/1120112421.db2.gz SZZCWXYLXJVTFT-KRWDZBQOSA-N 0 1 289.419 3.683 20 0 CHADMN O=C([O-])c1cc(F)ccc1C[N@@H+](CCC1CC1)CC1CC1 ZINC000659803699 1120113060 /nfs/dbraw/zinc/11/30/60/1120113060.db2.gz MZJOXPJJCGZVLP-UHFFFAOYSA-N 0 1 291.366 3.536 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000659803776 1120113348 /nfs/dbraw/zinc/11/33/48/1120113348.db2.gz NEJKGJIYCDVERK-OAHLLOKOSA-N 0 1 267.413 3.676 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](CCC2CC2)CC2CC2)cc1F ZINC000659803140 1120113529 /nfs/dbraw/zinc/11/35/29/1120113529.db2.gz DKXFBJAJUWEVCX-UHFFFAOYSA-N 0 1 291.366 3.536 20 0 CHADMN CCN(CCO[C@H]1CC1(F)F)Cc1ccc(Cl)s1 ZINC000659816161 1120115365 /nfs/dbraw/zinc/11/53/65/1120115365.db2.gz ALFDFUCVMKTALG-JTQLQIEISA-N 0 1 295.782 3.648 20 0 CHADMN CCCN(Cc1cc(C2CC2)no1)Cc1ccccc1 ZINC000659810790 1120115736 /nfs/dbraw/zinc/11/57/36/1120115736.db2.gz BDPBOHAVNXVRRD-UHFFFAOYSA-N 0 1 270.376 3.964 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC(c2cn[nH]c2)CC1 ZINC000356744724 1120119214 /nfs/dbraw/zinc/11/92/14/1120119214.db2.gz PQUMDPIMHRBPSS-LLVKDONJSA-N 0 1 291.345 3.629 20 0 CHADMN c1cc(-c2cc(-c3nc(CC4CCCCC4)no3)[nH]n2)co1 ZINC000544539607 1120125303 /nfs/dbraw/zinc/12/53/03/1120125303.db2.gz LDIXNDFNDRJEAQ-UHFFFAOYSA-N 0 1 298.346 3.843 20 0 CHADMN COCc1ccccc1CN[C@H](C)c1cccc(F)c1F ZINC000183215906 1120130595 /nfs/dbraw/zinc/13/05/95/1120130595.db2.gz IDWVJTCKGGUVQI-GFCCVEGCSA-N 0 1 291.341 3.962 20 0 CHADMN CCCCCNC(=O)[C@H](C)N1CCC[C@@H]1c1cccs1 ZINC000193225434 1120136916 /nfs/dbraw/zinc/13/69/16/1120136916.db2.gz KAAPIOBXBVMNQP-UONOGXRCSA-N 0 1 294.464 3.580 20 0 CHADMN CCN(CCCC1CCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000659834284 1120138842 /nfs/dbraw/zinc/13/88/42/1120138842.db2.gz STZNESMCPIIHKT-UHFFFAOYSA-N 0 1 299.418 3.738 20 0 CHADMN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCc1nnsc1Cl ZINC000542776272 1120144521 /nfs/dbraw/zinc/14/45/21/1120144521.db2.gz NDKOBJSQYYAKKJ-VWYCJHECSA-N 0 1 287.860 3.742 20 0 CHADMN Cc1cc([C@H](C)NCc2ccccc2-n2ccnc2)oc1C ZINC000282305510 1120145199 /nfs/dbraw/zinc/14/51/99/1120145199.db2.gz SWCYSTVDJCEXHO-AWEZNQCLSA-N 0 1 295.386 3.933 20 0 CHADMN Cc1ccc(C)c(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000135706806 1120145694 /nfs/dbraw/zinc/14/56/94/1120145694.db2.gz RXBQWSARSKTOFG-MRXNPFEDSA-N 0 1 289.419 3.626 20 0 CHADMN C[C@@H]1CC[C@H](CNC2(c3c(F)cccc3F)CCC2)O1 ZINC000626179004 1120145776 /nfs/dbraw/zinc/14/57/76/1120145776.db2.gz RLXKOSQKQZLBMQ-VXGBXAGGSA-N 0 1 281.346 3.501 20 0 CHADMN C[C@H](CC(=O)OC(C)(C)C)N[C@@H](C)c1c(F)cccc1F ZINC000542778670 1120145838 /nfs/dbraw/zinc/14/58/38/1120145838.db2.gz RCSMCDAMOCDVHA-MNOVXSKESA-N 0 1 299.361 3.736 20 0 CHADMN CCCCN(CC)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000929235153 1120152801 /nfs/dbraw/zinc/15/28/01/1120152801.db2.gz ZUOYLZLOKZXNBC-UHFFFAOYSA-N 0 1 295.333 3.763 20 0 CHADMN C[C@@H]1CCCCN1C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000929235367 1120156066 /nfs/dbraw/zinc/15/60/66/1120156066.db2.gz ZGRKZYNBFHWCNA-SECBINFHSA-N 0 1 293.317 3.515 20 0 CHADMN N#C[C@H](C(=O)CC1CCCCC1)c1cnc2ccccc2n1 ZINC000190969019 1128894708 /nfs/dbraw/zinc/89/47/08/1128894708.db2.gz MXDSWBMYWIXCJI-AWEZNQCLSA-N 0 1 293.370 3.776 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cc(F)c([O-])c(F)c2)C[C@@H]1C ZINC001140988026 1120161267 /nfs/dbraw/zinc/16/12/67/1120161267.db2.gz KJTQAQLLSWVFLW-MNOVXSKESA-N 0 1 269.335 3.538 20 0 CHADMN C[C@H](NCc1cnc(-c2ccccc2)nc1)c1ccccc1 ZINC000069645347 1128895093 /nfs/dbraw/zinc/89/50/93/1128895093.db2.gz DRSGCTGUNAGFSX-HNNXBMFYSA-N 0 1 289.382 3.994 20 0 CHADMN CCOc1ccc(F)c(F)c1CN1CCC[C@H]1CC ZINC001143495153 1120164888 /nfs/dbraw/zinc/16/48/88/1120164888.db2.gz DZMJNWPZSGSAOO-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NCc1ccc(C(F)F)c(F)c1 ZINC000892935356 1120164992 /nfs/dbraw/zinc/16/49/92/1120164992.db2.gz KKPJQKDHPVANGT-VIFPVBQESA-N 0 1 297.324 3.656 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cc(C)nc(C)n2)cc1 ZINC000659843412 1120165227 /nfs/dbraw/zinc/16/52/27/1120165227.db2.gz ULFWWCDZDMPMGG-CQSZACIVSA-N 0 1 269.392 3.595 20 0 CHADMN CC(C)(C)OC(=O)CN1CCC[C@@H](c2ccccc2)CC1 ZINC000303121755 1120171669 /nfs/dbraw/zinc/17/16/69/1120171669.db2.gz ADFHWJYCCBTHAT-MRXNPFEDSA-N 0 1 289.419 3.598 20 0 CHADMN CCCC[C@H](C(=O)OC)N1CCC(c2ccccc2)CC1 ZINC000303155431 1120172014 /nfs/dbraw/zinc/17/20/14/1120172014.db2.gz GRQUDSFAEJMBOZ-QGZVFWFLSA-N 0 1 289.419 3.598 20 0 CHADMN CCc1cc(=O)[nH]c(CN(C(C)C)[C@@H](C)c2ccccc2)n1 ZINC000428837636 1120176959 /nfs/dbraw/zinc/17/69/59/1120176959.db2.gz FTBBTAKWLBDMNG-AWEZNQCLSA-N 0 1 299.418 3.716 20 0 CHADMN FCCN1CCCCC[C@H]1/C=C\c1cccs1 ZINC000783031767 1120177575 /nfs/dbraw/zinc/17/75/75/1120177575.db2.gz SPGKDIOGDBLJDR-WSROAFLRSA-N 0 1 253.386 3.975 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(F)cc2)nc1C ZINC000314246966 1120179106 /nfs/dbraw/zinc/17/91/06/1120179106.db2.gz XXVFHRKPZPSNCB-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000165681107 1120179717 /nfs/dbraw/zinc/17/97/17/1120179717.db2.gz SGNCYELRJIBKLW-LLVKDONJSA-N 0 1 299.773 3.556 20 0 CHADMN C[C@@H]1C[C@@H](Sc2nnc(CCC3CCCC3)[nH]2)CCO1 ZINC000629112843 1128896850 /nfs/dbraw/zinc/89/68/50/1128896850.db2.gz FNTOMIHNTCQOIL-YPMHNXCESA-N 0 1 295.452 3.587 20 0 CHADMN C[C@@H]1C[C@@H](Sc2nc(CCC3CCCC3)n[nH]2)CCO1 ZINC000629112843 1128896857 /nfs/dbraw/zinc/89/68/57/1128896857.db2.gz FNTOMIHNTCQOIL-YPMHNXCESA-N 0 1 295.452 3.587 20 0 CHADMN CCCSC[C@H](C)N[C@H](C)c1csc(CC)n1 ZINC000892977135 1120186769 /nfs/dbraw/zinc/18/67/69/1120186769.db2.gz JTVRBYYCSHFYMC-WDEREUQCSA-N 0 1 272.483 3.888 20 0 CHADMN CC(C)CCN1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000303874119 1120186935 /nfs/dbraw/zinc/18/69/35/1120186935.db2.gz IFZQXYFJJAGMLX-BBRMVZONSA-N 0 1 265.372 3.634 20 0 CHADMN CCOc1ccc2nc(S[C@H](C)CC)[nH]c2c1 ZINC000303947211 1120189583 /nfs/dbraw/zinc/18/95/83/1120189583.db2.gz ZSTWPBOCVKRUFX-SECBINFHSA-N 0 1 250.367 3.852 20 0 CHADMN COC[C@H](C)C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000189560766 1120195059 /nfs/dbraw/zinc/19/50/59/1120195059.db2.gz WDGONENULYBIMJ-OAHLLOKOSA-N 0 1 273.376 3.564 20 0 CHADMN Cn1ccc(CN2CC(C)(C)[C@@H]2c2cccs2)c1 ZINC000685473528 1120199324 /nfs/dbraw/zinc/19/93/24/1120199324.db2.gz CMXCDSNZFDRIQO-AWEZNQCLSA-N 0 1 260.406 3.670 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2c(C)noc2C)cc1 ZINC000073007005 1120206170 /nfs/dbraw/zinc/20/61/70/1120206170.db2.gz GNTZEBNFGHIMTQ-NSHDSACASA-N 0 1 274.364 3.541 20 0 CHADMN CCSCC[C@H](C)NCc1csc(C(F)(F)F)n1 ZINC000893064303 1120213004 /nfs/dbraw/zinc/21/30/04/1120213004.db2.gz QBFNYDGYWJXTKG-QMMMGPOBSA-N 0 1 298.399 3.783 20 0 CHADMN COC(=O)c1oc(CN[C@H](C)c2ccccc2C)cc1C ZINC000181553713 1120215390 /nfs/dbraw/zinc/21/53/90/1120215390.db2.gz RGKHAODJFGMMOW-CYBMUJFWSA-N 0 1 287.359 3.534 20 0 CHADMN CC(C)C1(CNCc2csc(C(F)(F)F)n2)CC1 ZINC000893096727 1120222267 /nfs/dbraw/zinc/22/22/67/1120222267.db2.gz SHDXBXRKEGATNY-UHFFFAOYSA-N 0 1 278.343 3.688 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(F)c(F)c2)s1 ZINC000590295408 1120222640 /nfs/dbraw/zinc/22/26/40/1120222640.db2.gz WJGQTKYZAZOHFR-UHFFFAOYSA-N 0 1 267.344 3.967 20 0 CHADMN CC(C)(NCc1cc(C2CC2)no1)c1ccccc1 ZINC000659872498 1120226258 /nfs/dbraw/zinc/22/62/58/1120226258.db2.gz CRCOOPIHNUCFPT-UHFFFAOYSA-N 0 1 256.349 3.577 20 0 CHADMN Cc1nc2ccccc2nc1CN(C)Cc1ccccc1 ZINC000061745450 1120228730 /nfs/dbraw/zinc/22/87/30/1120228730.db2.gz ZSSQKRSZLZCPED-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Cc1ccc(CN(C)Cc2nc3ccccc3nc2C)cc1 ZINC000061779437 1120230412 /nfs/dbraw/zinc/23/04/12/1120230412.db2.gz FFCGZCNSUBKDOV-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc3ccccc3n2)s1 ZINC000659874681 1120232175 /nfs/dbraw/zinc/23/21/75/1120232175.db2.gz GGJJQXHOTQGYCL-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN CCCC[C@H]1CCC[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000110734888 1120236247 /nfs/dbraw/zinc/23/62/47/1120236247.db2.gz FNPDSFBZZWIOOO-GXTWGEPZSA-N 0 1 285.391 3.652 20 0 CHADMN CCc1ccc2nc(-c3cnn(C(C)C)c3)[nH]c2c1 ZINC000178981828 1120239137 /nfs/dbraw/zinc/23/91/37/1120239137.db2.gz DSNABUDBOIMVQH-UHFFFAOYSA-N 0 1 254.337 3.570 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2cc3c(s2)CC[C@@H](C)C3)n1 ZINC000843148086 1120243170 /nfs/dbraw/zinc/24/31/70/1120243170.db2.gz MJGSDKHITNNOEX-NOZJJQNGSA-N 0 1 291.420 3.579 20 0 CHADMN CCSCc1ccc(-c2nc([C@@H](N)C(C)C)no2)cc1 ZINC000843148729 1120249116 /nfs/dbraw/zinc/24/91/16/1120249116.db2.gz WFICMLRLQFRASI-ZDUSSCGKSA-N 0 1 291.420 3.646 20 0 CHADMN COc1ccc(CN[C@@H]2COc3ccc(C)cc32)c(C)c1 ZINC000921851671 1120250301 /nfs/dbraw/zinc/25/03/01/1120250301.db2.gz PVMHNRNJEKHYLX-QGZVFWFLSA-N 0 1 283.371 3.535 20 0 CHADMN CCOCCC1(CNCc2nc(C(C)(C)C)co2)CCC1 ZINC000921856443 1120254735 /nfs/dbraw/zinc/25/47/35/1120254735.db2.gz LGOVBXIZMMLRPE-UHFFFAOYSA-N 0 1 294.439 3.659 20 0 CHADMN Cc1cnc(Cl)c(CNCc2c(C)cccc2C)c1 ZINC000921859583 1120255651 /nfs/dbraw/zinc/25/56/51/1120255651.db2.gz CPYSHKGUPHOGBO-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@H](C)Cc2ccccc2Cl)n1 ZINC000843150901 1120256079 /nfs/dbraw/zinc/25/60/79/1120256079.db2.gz WKQUCPZEIJHTFR-ZWNOBZJWSA-N 0 1 293.798 3.725 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1cnn(C(C)(C)C)c1 ZINC000179911499 1120256927 /nfs/dbraw/zinc/25/69/27/1120256927.db2.gz DXOKGCUMUYNSIF-CQSZACIVSA-N 0 1 283.419 3.585 20 0 CHADMN CCN(CC(=O)Nc1ccc(C)cc1C)Cc1ccccc1 ZINC000007445059 1120261278 /nfs/dbraw/zinc/26/12/78/1120261278.db2.gz XVGAZXJUMOCHRE-UHFFFAOYSA-N 0 1 296.414 3.764 20 0 CHADMN C[C@@H](CO)CN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000678043835 1120262363 /nfs/dbraw/zinc/26/23/63/1120262363.db2.gz FTBOVOWYHYPYAK-YGRLFVJLSA-N 0 1 288.218 3.759 20 0 CHADMN CC(C)CC[N@@H+](CCC#N)Cc1cccc(Cl)c1[O-] ZINC000180059391 1120262857 /nfs/dbraw/zinc/26/28/57/1120262857.db2.gz FUTCHZATQFGYGK-UHFFFAOYSA-N 0 1 280.799 3.807 20 0 CHADMN CCC(=O)Nc1cc(N[C@@H](C)C[C@H](C)CC)ccn1 ZINC001168694424 1120275348 /nfs/dbraw/zinc/27/53/48/1120275348.db2.gz QBMPKWRCXWMQTC-NEPJUHHUSA-N 0 1 263.385 3.667 20 0 CHADMN Cc1nc(CNCCOc2ccccc2Cl)sc1C ZINC000893187665 1120288866 /nfs/dbraw/zinc/28/88/66/1120288866.db2.gz STOXANYCQYQATO-UHFFFAOYSA-N 0 1 296.823 3.582 20 0 CHADMN CCOC[C@H]1CCCN(Cc2nsc3ccccc32)C1 ZINC000659928668 1120290250 /nfs/dbraw/zinc/29/02/50/1120290250.db2.gz LLPFIWCFZDUMPC-ZDUSSCGKSA-N 0 1 290.432 3.545 20 0 CHADMN Cc1nc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c(C)o1 ZINC000659928938 1120291916 /nfs/dbraw/zinc/29/19/16/1120291916.db2.gz YPSRWFKUHKXCPT-INIZCTEOSA-N 0 1 260.381 3.614 20 0 CHADMN Cc1nc(CN2CCC[C@@]3(CC=CCC3)C2)c(C)o1 ZINC000659928938 1120291919 /nfs/dbraw/zinc/29/19/19/1120291919.db2.gz YPSRWFKUHKXCPT-INIZCTEOSA-N 0 1 260.381 3.614 20 0 CHADMN CC(C)[C@@H]1CCCC[C@H]1NCC(F)(F)C(F)F ZINC000227015978 1120292197 /nfs/dbraw/zinc/29/21/97/1120292197.db2.gz PVFWJIOTALHRMY-VHSXEESVSA-N 0 1 255.299 3.691 20 0 CHADMN Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)CCc1cnc[nH]1 ZINC000355987729 1120293067 /nfs/dbraw/zinc/29/30/67/1120293067.db2.gz IPRUWSMTTWNPMO-GOSISDBHSA-N 0 1 299.418 3.506 20 0 CHADMN CC[C@H](Cc1ccccc1)N(C)Cc1nc(C)oc1C ZINC000659954831 1120308123 /nfs/dbraw/zinc/30/81/23/1120308123.db2.gz LUYMAJRGMFVTBI-MRXNPFEDSA-N 0 1 272.392 3.745 20 0 CHADMN Cc1cc(CN2C[C@@H](C)C[C@@H]2c2cccc(F)c2)nc(C)n1 ZINC000659956564 1120309133 /nfs/dbraw/zinc/30/91/33/1120309133.db2.gz BOIQYFCCBXHFDZ-KPZWWZAWSA-N 0 1 299.393 3.816 20 0 CHADMN CCCN[C@H](C)c1nc(Cc2c(C)cc(C)cc2C)no1 ZINC000843178206 1120309845 /nfs/dbraw/zinc/30/98/45/1120309845.db2.gz WGSWKEQTDSRGGB-CQSZACIVSA-N 0 1 287.407 3.646 20 0 CHADMN CN(C(=O)c1cccc2n[nH]cc21)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416312583 1120311824 /nfs/dbraw/zinc/31/18/24/1120311824.db2.gz QQQBTTSWPAIGOM-GOEBONIOSA-N 0 1 299.418 3.850 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000629360236 1128907834 /nfs/dbraw/zinc/90/78/34/1128907834.db2.gz NVUUHBZJNRETET-JJXSEGSLSA-N 0 1 281.440 3.921 20 0 CHADMN CC1(C)C[C@@H](N2CC[C@@H]2c2ccc(Cl)cc2)CO1 ZINC000659985350 1120322870 /nfs/dbraw/zinc/32/28/70/1120322870.db2.gz HVEDXUBUFJDAHL-ZIAGYGMSSA-N 0 1 265.784 3.654 20 0 CHADMN CC1(C)C[C@@H](N2CC[C@H]2c2ccc(Cl)cc2)CO1 ZINC000659985348 1120323472 /nfs/dbraw/zinc/32/34/72/1120323472.db2.gz HVEDXUBUFJDAHL-KGLIPLIRSA-N 0 1 265.784 3.654 20 0 CHADMN CC[C@H](CC(F)(F)F)NCc1cc(C)cnc1Cl ZINC000921999558 1120325824 /nfs/dbraw/zinc/32/58/24/1120325824.db2.gz LPJULLOSRYTBGE-SNVBAGLBSA-N 0 1 280.721 3.864 20 0 CHADMN FC(F)c1ccc(CNCc2cccc3c2OCC3)cc1 ZINC000921999491 1120326152 /nfs/dbraw/zinc/32/61/52/1120326152.db2.gz FMMNZWQFBXQVIB-UHFFFAOYSA-N 0 1 289.325 3.849 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000629361110 1128908444 /nfs/dbraw/zinc/90/84/44/1128908444.db2.gz CWKBZVRRCNXOIV-ZOBUZTSGSA-N 0 1 281.440 3.780 20 0 CHADMN CCC[C@@H](C)CCC[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000629362526 1128908471 /nfs/dbraw/zinc/90/84/71/1128908471.db2.gz UXXSVEXEHFYXCU-CYBMUJFWSA-N 0 1 255.402 3.532 20 0 CHADMN Cc1nc(CN2CCSC3(CCCCC3)C2)c(C)o1 ZINC000659994618 1120330960 /nfs/dbraw/zinc/33/09/60/1120330960.db2.gz NSQKZEUMIPLTCL-UHFFFAOYSA-N 0 1 280.437 3.543 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccnn2C2CCC2)c(C)c1 ZINC000925542055 1120331080 /nfs/dbraw/zinc/33/10/80/1120331080.db2.gz GKDXSWHFAYVURJ-CQSZACIVSA-N 0 1 299.418 3.776 20 0 CHADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000387886537 1120333243 /nfs/dbraw/zinc/33/32/43/1120333243.db2.gz QGFZMXZEIOBFHS-KDOFPFPSSA-N 0 1 295.382 3.649 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000629375245 1128908946 /nfs/dbraw/zinc/90/89/46/1128908946.db2.gz YSXZLEFCZXVDQT-ARFHVFGLSA-N 0 1 279.424 3.532 20 0 CHADMN C[C@@H]1CN(C[C@@H]2C[C@H]3C[C@H]3C2)C[C@@H](c2ccsc2)O1 ZINC000660003739 1120335475 /nfs/dbraw/zinc/33/54/75/1120335475.db2.gz VIRXITTWVYCENH-DEDQRHPVSA-N 0 1 277.433 3.556 20 0 CHADMN c1csc([C@H]2CN(CCCC3CCC3)CCO2)c1 ZINC000660004684 1120335965 /nfs/dbraw/zinc/33/59/65/1120335965.db2.gz AKNGCVULMSPZFY-CQSZACIVSA-N 0 1 265.422 3.702 20 0 CHADMN c1nc2cc(-c3nc([C@@H]4CCC[C@H]5C[C@H]54)no3)ccc2[nH]1 ZINC000924113859 1120336024 /nfs/dbraw/zinc/33/60/24/1120336024.db2.gz IUKYDRLZAPGWDC-MVWJERBFSA-N 0 1 280.331 3.517 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000629374586 1128909046 /nfs/dbraw/zinc/90/90/46/1128909046.db2.gz XNDXKDKPHWCLLB-YHUYYLMFSA-N 0 1 281.440 3.778 20 0 CHADMN C[C@H](CCc1ccc(F)cc1)N[C@H]1CCCC1(F)F ZINC000672621787 1120336424 /nfs/dbraw/zinc/33/64/24/1120336424.db2.gz JBFGWXZWHKFYIQ-RISCZKNCSA-N 0 1 271.326 3.924 20 0 CHADMN CCCN[C@H](C)c1nc(Cc2cccc(F)c2Cl)no1 ZINC000843189620 1120337213 /nfs/dbraw/zinc/33/72/13/1120337213.db2.gz QWLFZTPDINMALU-SECBINFHSA-N 0 1 297.761 3.514 20 0 CHADMN FC1(F)CCC[C@H]1NC1CCC2(CCOCC2)CC1 ZINC000672622825 1120337398 /nfs/dbraw/zinc/33/73/98/1120337398.db2.gz UQORIHCCAULRJZ-CYBMUJFWSA-N 0 1 273.367 3.503 20 0 CHADMN COc1cc(CN(Cc2ccc(F)cc2)C(C)(C)C)on1 ZINC000660005292 1120337873 /nfs/dbraw/zinc/33/78/73/1120337873.db2.gz FLXILXVGKVVGDE-UHFFFAOYSA-N 0 1 292.354 3.623 20 0 CHADMN FC(F)[C@H](CCc1ccccc1)NC[C@H]1CCCSC1 ZINC000672618359 1120338486 /nfs/dbraw/zinc/33/84/86/1120338486.db2.gz UKJRVOMOVOALRU-CABCVRRESA-N 0 1 299.430 3.986 20 0 CHADMN C[C@H]1CN(Cc2nc3cc(F)ccc3o2)CC(C)(C)C1 ZINC000544110098 1120338978 /nfs/dbraw/zinc/33/89/78/1120338978.db2.gz ADOGBSBEFXRLFK-LLVKDONJSA-N 0 1 276.355 3.835 20 0 CHADMN CN(CC(=O)Nc1ccc(-c2ccccc2)cc1)CC1CC1 ZINC000053183771 1120342642 /nfs/dbraw/zinc/34/26/42/1120342642.db2.gz SUZYKVLYXUHJAA-UHFFFAOYSA-N 0 1 294.398 3.634 20 0 CHADMN Clc1ccc([C@H]2CCN2C[C@H]2CCCCO2)cc1 ZINC000511565521 1120347204 /nfs/dbraw/zinc/34/72/04/1120347204.db2.gz SZMXRUUGJNWSCO-HUUCEWRRSA-N 0 1 265.784 3.656 20 0 CHADMN Cc1cccc(CNC2CC(F)(F)C2)c1Br ZINC000922060632 1120351923 /nfs/dbraw/zinc/35/19/23/1120351923.db2.gz OQUNBBQVKVPHBW-UHFFFAOYSA-N 0 1 290.151 3.645 20 0 CHADMN O=C(NOCc1ccc(F)cc1)[C@@H](c1ccccc1)C1CC1 ZINC000184137661 1120352380 /nfs/dbraw/zinc/35/23/80/1120352380.db2.gz JOIDLJPUWYCEBF-KRWDZBQOSA-N 0 1 299.345 3.567 20 0 CHADMN c1csc([C@@H](NC[C@@H]2C[C@H]3C[C@H]3C2)c2ccccc2)n1 ZINC000660046799 1120352886 /nfs/dbraw/zinc/35/28/86/1120352886.db2.gz LONYCQAGJFAKGB-UKMLZYKCSA-N 0 1 284.428 3.868 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H]2CCC[C@@H](C3CCOCC3)C2)o1 ZINC000922101528 1120366352 /nfs/dbraw/zinc/36/63/52/1120366352.db2.gz OLLRWKMOIWQBOF-NUEKZKHPSA-N 0 1 292.423 3.619 20 0 CHADMN Cc1c(Cl)ccc(CNCC2=CCCOC2)c1Cl ZINC000922127495 1120376275 /nfs/dbraw/zinc/37/62/75/1120376275.db2.gz OUKYUBQCSIYTJR-UHFFFAOYSA-N 0 1 286.202 3.738 20 0 CHADMN CCC1(CC)[C@H](N(C)Cc2cc(C3CC3)no2)C[C@@H]1OC ZINC000660099700 1120377404 /nfs/dbraw/zinc/37/74/04/1120377404.db2.gz IUKWUGYCIPFBDI-CVEARBPZSA-N 0 1 292.423 3.578 20 0 CHADMN Cn1nc(CN[C@H]2CCCc3ccccc32)c2ccccc21 ZINC000388177888 1120391240 /nfs/dbraw/zinc/39/12/40/1120391240.db2.gz XNMCFMHQCYHTPI-KRWDZBQOSA-N 0 1 291.398 3.741 20 0 CHADMN CSc1cccc(CN(C)[C@H](C)c2ccccn2)c1 ZINC000660139460 1120393826 /nfs/dbraw/zinc/39/38/26/1120393826.db2.gz AOBACLHMZWNHOJ-CYBMUJFWSA-N 0 1 272.417 3.997 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000584590323 1120395743 /nfs/dbraw/zinc/39/57/43/1120395743.db2.gz WWHMDPNOAWPTHQ-KEYYUXOJSA-N 0 1 289.419 3.914 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2nc(-c3ccoc3)no2)CC1 ZINC000114729688 1120401367 /nfs/dbraw/zinc/40/13/67/1120401367.db2.gz KCNHZCCMKFYYCS-ZDUSSCGKSA-N 0 1 289.379 3.588 20 0 CHADMN CCc1noc([C@@H](C)NCC2(c3ccccc3)CCCC2)n1 ZINC000114746292 1120401414 /nfs/dbraw/zinc/40/14/14/1120401414.db2.gz OIRLTSHNIMIUGO-CQSZACIVSA-N 0 1 299.418 3.795 20 0 CHADMN CC(C)SCCNCc1csc(C(C)(C)C)n1 ZINC000310197760 1120406483 /nfs/dbraw/zinc/40/64/83/1120406483.db2.gz GHPVHJQFDSJXRR-UHFFFAOYSA-N 0 1 272.483 3.672 20 0 CHADMN c1cc2cc(CN3CCOC[C@@H]3CC3CCC3)ccc2[nH]1 ZINC000628297056 1120408574 /nfs/dbraw/zinc/40/85/74/1120408574.db2.gz IIQGTSPCCXSEBI-KRWDZBQOSA-N 0 1 284.403 3.559 20 0 CHADMN CN(Cc1ccsc1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001141155515 1120411933 /nfs/dbraw/zinc/41/19/33/1120411933.db2.gz ZBTSWZPRFXWEAU-UHFFFAOYSA-N 0 1 297.326 3.702 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H](C)c1cncs1 ZINC000274452167 1120420237 /nfs/dbraw/zinc/42/02/37/1120420237.db2.gz YYWZEJQIJDKRRL-CMPLNLGQSA-N 0 1 292.452 3.815 20 0 CHADMN COc1ccccc1/C=C/CN(C)Cc1ccc(C)cn1 ZINC000682788346 1120425971 /nfs/dbraw/zinc/42/59/71/1120425971.db2.gz VPVYDTQJCHGNCM-SOFGYWHQSA-N 0 1 282.387 3.544 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(Cl)cc2C)nc1 ZINC000682788292 1120426067 /nfs/dbraw/zinc/42/60/67/1120426067.db2.gz UKGKQRNFGWUZBZ-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1nnc([C@@H](C)N[C@@H](C)[C@@H]2C[C@H]2c2cccs2)s1 ZINC000417348169 1120430704 /nfs/dbraw/zinc/43/07/04/1120430704.db2.gz XQPKFCORVVYVRJ-BSJXLVFVSA-N 0 1 293.461 3.751 20 0 CHADMN Clc1ccc2c(c1)CCN(Cc1[nH]nc3ccccc31)C2 ZINC000683000356 1120433324 /nfs/dbraw/zinc/43/33/24/1120433324.db2.gz WEMBNCKLKHEJOD-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN COc1cc(CN[C@@H](CC(C)C)c2ccccc2C)on1 ZINC000660196617 1120433519 /nfs/dbraw/zinc/43/35/19/1120433519.db2.gz FSTSJUMSVRZYGT-INIZCTEOSA-N 0 1 288.391 3.869 20 0 CHADMN CC(C)(C)c1ccc(-c2noc(CNCC3CC3)n2)cc1 ZINC000843227409 1120438115 /nfs/dbraw/zinc/43/81/15/1120438115.db2.gz RTHFYBXAGMZNKN-UHFFFAOYSA-N 0 1 285.391 3.534 20 0 CHADMN c1cc(CNc2ccc3cnccc3c2)n(C2CCC2)n1 ZINC000922169992 1120442160 /nfs/dbraw/zinc/44/21/60/1120442160.db2.gz CKMAXEJCJCJJDP-UHFFFAOYSA-N 0 1 278.359 3.768 20 0 CHADMN Cc1ncoc1CNc1ccc2c(c1)nc1n2CCCCC1 ZINC000922170589 1120444447 /nfs/dbraw/zinc/44/44/47/1120444447.db2.gz DAOWBHAWTCWCAQ-UHFFFAOYSA-N 0 1 296.374 3.671 20 0 CHADMN Cc1cccc(N2CCN([C@@H](C)c3ccncc3)CC2)c1C ZINC000067716195 1120447891 /nfs/dbraw/zinc/44/78/91/1120447891.db2.gz BZCFCFGFYHSMOF-KRWDZBQOSA-N 0 1 295.430 3.582 20 0 CHADMN CC[C@@H](NCc1cc(COC)cs1)c1c(C)noc1C ZINC000657419504 1120450928 /nfs/dbraw/zinc/45/09/28/1120450928.db2.gz UJTRDEHOPGJNGT-CQSZACIVSA-N 0 1 294.420 3.740 20 0 CHADMN CC[C@H](CSc1ccccc1)N[C@H](C)c1nonc1C ZINC000925608885 1120453785 /nfs/dbraw/zinc/45/37/85/1120453785.db2.gz LJGGFPSPUVCWOH-DGCLKSJQSA-N 0 1 291.420 3.600 20 0 CHADMN Fc1ccc(-n2cnc3c2CCN(CCC2CCC2)C3)cc1 ZINC000660234562 1120457430 /nfs/dbraw/zinc/45/74/30/1120457430.db2.gz JQVSNNBWSOBQFJ-UHFFFAOYSA-N 0 1 299.393 3.560 20 0 CHADMN Cc1cc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C)c2C)cs1 ZINC000417571653 1120458029 /nfs/dbraw/zinc/45/80/29/1120458029.db2.gz XLWVHSQLXXTHKL-OAHLLOKOSA-N 0 1 289.400 3.589 20 0 CHADMN CCCc1cc(C(=O)N(CC2CC2)C2CCCCC2)n[nH]1 ZINC000068159155 1120466080 /nfs/dbraw/zinc/46/60/80/1120466080.db2.gz URZODAFSGBZKQJ-UHFFFAOYSA-N 0 1 289.423 3.547 20 0 CHADMN COc1cc(CN[C@H](CC(C)C)c2cccs2)on1 ZINC000660254315 1120468644 /nfs/dbraw/zinc/46/86/44/1120468644.db2.gz PADKCERCNNHATK-GFCCVEGCSA-N 0 1 280.393 3.622 20 0 CHADMN Cc1ccc(C)c(NC(=O)c2ccc(Cl)cc2O)c1 ZINC000019840451 1120471007 /nfs/dbraw/zinc/47/10/07/1120471007.db2.gz GWYXBVPNJYRTLF-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(O)c(Cl)c2)[C@@H]1C ZINC000019840272 1120472080 /nfs/dbraw/zinc/47/20/80/1120472080.db2.gz BOHHFURJDBQFQE-GIPNMCIBSA-N 0 1 281.783 3.600 20 0 CHADMN COCCCCCSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000116610689 1120475941 /nfs/dbraw/zinc/47/59/41/1120475941.db2.gz CSJQXBMVFZJXIZ-UHFFFAOYSA-N 0 1 291.420 3.689 20 0 CHADMN CN(Cc1cnc(Cl)s1)CC1(c2ccccc2)CC1 ZINC000189317680 1120479574 /nfs/dbraw/zinc/47/95/74/1120479574.db2.gz ZEHVGWZCECTOAY-UHFFFAOYSA-N 0 1 292.835 3.960 20 0 CHADMN CCn1cncc1CN1CCCCC[C@H]1c1ccco1 ZINC000417775778 1120480715 /nfs/dbraw/zinc/48/07/15/1120480715.db2.gz OHIPWQSFBNTDSE-HNNXBMFYSA-N 0 1 273.380 3.613 20 0 CHADMN C[C@H]1c2ccccc2C[C@H]1NCc1nc(C(C)(C)C)co1 ZINC000922242047 1120481127 /nfs/dbraw/zinc/48/11/27/1120481127.db2.gz AROOIQPMQKOSGK-SWLSCSKDSA-N 0 1 284.403 3.790 20 0 CHADMN CCn1cncc1CN1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000417790332 1120481315 /nfs/dbraw/zinc/48/13/15/1120481315.db2.gz KQOXRUZBPIZYFP-DYVFJYSZSA-N 0 1 287.382 3.625 20 0 CHADMN c1cc2cc(CNCc3cnn(CC4CCC4)c3)ccc2o1 ZINC000922241715 1120481627 /nfs/dbraw/zinc/48/16/27/1120481627.db2.gz ZHJCQUZWQTVXDM-UHFFFAOYSA-N 0 1 295.386 3.719 20 0 CHADMN CCn1cncc1CN1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000417790331 1120481798 /nfs/dbraw/zinc/48/17/98/1120481798.db2.gz KQOXRUZBPIZYFP-CXAGYDPISA-N 0 1 287.382 3.625 20 0 CHADMN C[C@@H]1CN(Cc2cccc(N(C)C)c2)Cc2ccccc2O1 ZINC000644784698 1120487078 /nfs/dbraw/zinc/48/70/78/1120487078.db2.gz XODXXJPWQDNXRJ-OAHLLOKOSA-N 0 1 296.414 3.536 20 0 CHADMN CCCN(C)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000069092797 1120493068 /nfs/dbraw/zinc/49/30/68/1120493068.db2.gz WTQVPRCQXWYVNW-UHFFFAOYSA-N 0 1 298.386 3.759 20 0 CHADMN FC1(F)CC2(CN([C@H]3Cc4cccc(Cl)c4C3)C2)C1 ZINC001168718415 1120494771 /nfs/dbraw/zinc/49/47/71/1120494771.db2.gz OTOYVDDODHPMBJ-NSHDSACASA-N 0 1 283.749 3.538 20 0 CHADMN CCCCc1noc([C@H](C)N(CC)CCC2CC2)n1 ZINC000545519107 1120497578 /nfs/dbraw/zinc/49/75/78/1120497578.db2.gz UWMJKFVBCVHFOQ-LBPRGKRZSA-N 0 1 265.401 3.595 20 0 CHADMN c1cc(C2CCN(Cc3cc(C4CC4)no3)CC2)cs1 ZINC000660324879 1120501888 /nfs/dbraw/zinc/50/18/88/1120501888.db2.gz OYWPTERQDJJSSY-UHFFFAOYSA-N 0 1 288.416 3.993 20 0 CHADMN Cc1cc([C@H](N[C@@H](C)c2cn(C)cn2)C2CC2)ccc1F ZINC000925643335 1120506787 /nfs/dbraw/zinc/50/67/87/1120506787.db2.gz IENAREAGSHTGQU-YVEFUNNKSA-N 0 1 287.382 3.670 20 0 CHADMN C[C@@H](NCc1cnn(C2CCC2)c1)c1cc2cnccc2o1 ZINC000922321153 1120511010 /nfs/dbraw/zinc/51/10/10/1120511010.db2.gz SBCVPFKTHYCKTC-GFCCVEGCSA-N 0 1 296.374 3.600 20 0 CHADMN Cc1c([C@H](C)N[C@@H](C)c2csc(Cl)c2)cnn1C ZINC000191167587 1120516002 /nfs/dbraw/zinc/51/60/02/1120516002.db2.gz YCOVRDJFBOHJLR-IUCAKERBSA-N 0 1 283.828 3.855 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CC[C@H](C)[C@H](C)C3)n[nH]2)cc1 ZINC000500208857 1120532829 /nfs/dbraw/zinc/53/28/29/1120532829.db2.gz WLZDIGUGIJHXRU-UONOGXRCSA-N 0 1 297.402 3.503 20 0 CHADMN Cc1csc(CN[C@H](C)c2cc3ccncc3s2)n1 ZINC000657826774 1120533330 /nfs/dbraw/zinc/53/33/30/1120533330.db2.gz BKNDSCTXJJNSLH-SNVBAGLBSA-N 0 1 289.429 3.912 20 0 CHADMN COc1cncc(C[N@@H+](C)[C@@H](c2ccccc2)C(C)C)c1 ZINC000343862659 1120538938 /nfs/dbraw/zinc/53/89/38/1120538938.db2.gz MKQZDGQMWFZYQE-GOSISDBHSA-N 0 1 284.403 3.919 20 0 CHADMN Fc1ccc2nc(CNCc3ccccc3)sc2c1 ZINC000428854433 1120539556 /nfs/dbraw/zinc/53/95/56/1120539556.db2.gz FHGBZWYIABZGGO-UHFFFAOYSA-N 0 1 272.348 3.725 20 0 CHADMN CC[C@@H](Cc1ccccc1)N[C@H]1CCCC1(F)F ZINC000397991377 1120543507 /nfs/dbraw/zinc/54/35/07/1120543507.db2.gz AUXZJDMEPBYEPV-KBPBESRZSA-N 0 1 253.336 3.785 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(C)ccc2OC)cc1 ZINC000019909249 1120544787 /nfs/dbraw/zinc/54/47/87/1120544787.db2.gz AMCOXWYJQOMIRK-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN Nc1c(Cl)cccc1CN[C@@H](c1ccccn1)C1CC1 ZINC000922583105 1120556205 /nfs/dbraw/zinc/55/62/05/1120556205.db2.gz UEUDHJHMONRVJP-MRXNPFEDSA-N 0 1 287.794 3.558 20 0 CHADMN Cc1ccc(F)cc1CN[C@H](c1ccccn1)C1CC1 ZINC000922584195 1120557221 /nfs/dbraw/zinc/55/72/21/1120557221.db2.gz DORGTECMEJFTPF-KRWDZBQOSA-N 0 1 270.351 3.770 20 0 CHADMN C[C@@H](CCCC(F)(F)F)N[C@H]1CCCC1(F)F ZINC000398038538 1120560414 /nfs/dbraw/zinc/56/04/14/1120560414.db2.gz QVQQMUJVPFJMPN-IUCAKERBSA-N 0 1 259.262 3.885 20 0 CHADMN FC1(F)CC[C@@H](N[C@H](c2ccccc2)c2ccccn2)C1 ZINC000314429164 1120561255 /nfs/dbraw/zinc/56/12/55/1120561255.db2.gz BOMZNVBHMXWIRL-GDBMZVCRSA-N 0 1 288.341 3.948 20 0 CHADMN CC[C@H](NCc1ccnc(C)c1)c1cc(F)ccc1OC ZINC000922618307 1120565500 /nfs/dbraw/zinc/56/55/00/1120565500.db2.gz KGRGXTYGSGWCAP-INIZCTEOSA-N 0 1 288.366 3.779 20 0 CHADMN CC[C@H](NCc1cnc(C)s1)c1cc(F)ccc1OC ZINC000922619499 1120565884 /nfs/dbraw/zinc/56/58/84/1120565884.db2.gz HFTRXLXJZNVTJE-AWEZNQCLSA-N 0 1 294.395 3.840 20 0 CHADMN Cn1cnc(CN[C@H](Cc2ccccc2)c2cccs2)c1 ZINC000673602267 1120569551 /nfs/dbraw/zinc/56/95/51/1120569551.db2.gz XFSOSLUCKNVWLT-MRXNPFEDSA-N 0 1 297.427 3.555 20 0 CHADMN Cn1cnc(CN[C@@H](CC(C)(C)C)c2ccc(F)cc2)c1 ZINC000673600226 1120569582 /nfs/dbraw/zinc/56/95/82/1120569582.db2.gz XPLXJZDQIQGROO-INIZCTEOSA-N 0 1 289.398 3.826 20 0 CHADMN COc1ccc(OC)c(C[N@@H+](C)[C@H](C)c2ccccc2)c1 ZINC000500319687 1120570774 /nfs/dbraw/zinc/57/07/74/1120570774.db2.gz DYNCTPBCYIOFTK-CQSZACIVSA-N 0 1 285.387 3.897 20 0 CHADMN COc1ccc(OC)c(CN(C)[C@H](C)c2ccccc2)c1 ZINC000500319687 1120570777 /nfs/dbraw/zinc/57/07/77/1120570777.db2.gz DYNCTPBCYIOFTK-CQSZACIVSA-N 0 1 285.387 3.897 20 0 CHADMN Cn1cnc(CNC2(c3cccc(Cl)c3)CCCC2)c1 ZINC000673604308 1120571345 /nfs/dbraw/zinc/57/13/45/1120571345.db2.gz LCGJLQSEKLNGIU-UHFFFAOYSA-N 0 1 289.810 3.633 20 0 CHADMN C[C@H](N[C@@H](C)c1cncc(F)c1)c1ccnc(Cl)c1 ZINC000781926790 1120574251 /nfs/dbraw/zinc/57/42/51/1120574251.db2.gz YYQWNQHGHCKABC-UWVGGRQHSA-N 0 1 279.746 3.681 20 0 CHADMN C[C@H]1CN(CC2CC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428933591 1120573850 /nfs/dbraw/zinc/57/38/50/1120573850.db2.gz LQPYLPOCIGUEGY-XHDPSFHLSA-N 0 1 299.336 3.877 20 0 CHADMN Cc1cnccc1C[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000652060763 1120574090 /nfs/dbraw/zinc/57/40/90/1120574090.db2.gz GSHHFTVRHFNSNX-CQSZACIVSA-N 0 1 284.378 3.691 20 0 CHADMN FC1(F)C[C@]12CCN(Cc1cnc(-c3ccco3)s1)C2 ZINC000652064271 1120576455 /nfs/dbraw/zinc/57/64/55/1120576455.db2.gz JTKPRBNIGXCHGD-ZDUSSCGKSA-N 0 1 296.342 3.634 20 0 CHADMN CCc1cc(CN[C@H](C)c2ccc(SC)c(F)c2)[nH]n1 ZINC000765995251 1120577675 /nfs/dbraw/zinc/57/76/75/1120577675.db2.gz SXFWWDNKALVMPG-SNVBAGLBSA-N 0 1 293.411 3.684 20 0 CHADMN CCc1cc(CN[C@H](C)c2ccc(SC)c(F)c2)n[nH]1 ZINC000765995251 1120577678 /nfs/dbraw/zinc/57/76/78/1120577678.db2.gz SXFWWDNKALVMPG-SNVBAGLBSA-N 0 1 293.411 3.684 20 0 CHADMN COc1ccc([C@H](C)NCc2ccoc2C)cc1C ZINC000922674742 1120579730 /nfs/dbraw/zinc/57/97/30/1120579730.db2.gz MJSYZRMQDQIONG-LBPRGKRZSA-N 0 1 259.349 3.756 20 0 CHADMN CCc1ccc2ccccc2c1CNCc1ocnc1C ZINC000922717745 1120586806 /nfs/dbraw/zinc/58/68/06/1120586806.db2.gz XBXCRFLAWRZQGP-UHFFFAOYSA-N 0 1 280.371 3.988 20 0 CHADMN CC(C)OCCCN(C)Cc1coc(-c2ccccc2)n1 ZINC000265886062 1120591933 /nfs/dbraw/zinc/59/19/33/1120591933.db2.gz PVHKIINPLLLQAT-UHFFFAOYSA-N 0 1 288.391 3.589 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cnc3ccccc3n2)c1 ZINC000660420569 1120593737 /nfs/dbraw/zinc/59/37/37/1120593737.db2.gz KSARENUNGJMTLV-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN C[C@@H]1Oc2cc(F)ccc2[C@H]1NCc1cccc2cc[nH]c21 ZINC000673614927 1120597100 /nfs/dbraw/zinc/59/71/00/1120597100.db2.gz NKGHGPYSVVQBSQ-GTNSWQLSSA-N 0 1 296.345 3.919 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H](c2ccc(F)cc2)C(C)C)cn1 ZINC000428981147 1120597229 /nfs/dbraw/zinc/59/72/29/1120597229.db2.gz PGQUTNJZFIZIAJ-DYVFJYSZSA-N 0 1 287.382 3.972 20 0 CHADMN CC(C)CCOc1ccc(CN[C@H](C)CF)cc1 ZINC000673619470 1120604890 /nfs/dbraw/zinc/60/48/90/1120604890.db2.gz IWWONONNKTZPFL-CYBMUJFWSA-N 0 1 253.361 3.559 20 0 CHADMN CCCCC[C@@](C)(CC)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000780928440 1120606900 /nfs/dbraw/zinc/60/69/00/1120606900.db2.gz SGQYOCMAGODDQF-SUMWQHHRSA-N 0 1 293.455 3.762 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000780928436 1120607169 /nfs/dbraw/zinc/60/71/69/1120607169.db2.gz SGQYOCMAGODDQF-DYVFJYSZSA-N 0 1 293.455 3.762 20 0 CHADMN C[C@H]1C[C@@]1(NCc1cncc(F)c1)c1ccc(Cl)cc1 ZINC000500396634 1120609114 /nfs/dbraw/zinc/60/91/14/1120609114.db2.gz KHHGSHFXIKRDOF-ZBEGNZNMSA-N 0 1 290.769 3.899 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000322922945 1120610332 /nfs/dbraw/zinc/61/03/32/1120610332.db2.gz LFYXEVDUOIQYDI-OPUMOTSWSA-N 0 1 287.403 3.523 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](c2ccccc2)C2CCC2)nn1C ZINC000282397062 1120613941 /nfs/dbraw/zinc/61/39/41/1120613941.db2.gz XTBXZGNWSKRKOO-KDOFPFPSSA-N 0 1 283.419 3.921 20 0 CHADMN CSC[C@@H]1CCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000191417260 1128928483 /nfs/dbraw/zinc/92/84/83/1128928483.db2.gz FLZLXELCJCMUEI-VIFPVBQESA-N 0 1 289.803 3.512 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3cccnc32)cnc1Cl ZINC000922883239 1120618663 /nfs/dbraw/zinc/61/86/63/1120618663.db2.gz YZJDKCHLHCIJFO-AWEZNQCLSA-N 0 1 287.794 3.606 20 0 CHADMN CCc1cccc(CN2CCCC[C@@H]2c2ccnn2C)c1 ZINC000500418535 1120618842 /nfs/dbraw/zinc/61/88/42/1120618842.db2.gz BSVLCJVOUPPDOY-GOSISDBHSA-N 0 1 283.419 3.710 20 0 CHADMN Cc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c1 ZINC000500422120 1120619805 /nfs/dbraw/zinc/61/98/05/1120619805.db2.gz PDHXCHXFEHPPDO-GOSISDBHSA-N 0 1 283.419 3.764 20 0 CHADMN Cc1cc(F)c(-c2cccc([C@H]3COCCN3)c2)c(F)c1 ZINC000629739769 1128932642 /nfs/dbraw/zinc/93/26/42/1128932642.db2.gz JEEZGOVMKASBMN-MRXNPFEDSA-N 0 1 289.325 3.601 20 0 CHADMN Cc1cc(-c2ccc([C@H]3COCCN3)cc2)c(F)cc1F ZINC000629712321 1128929356 /nfs/dbraw/zinc/92/93/56/1128929356.db2.gz UMJVJKOPFXWBDL-QGZVFWFLSA-N 0 1 289.325 3.601 20 0 CHADMN CS[C@H]1CCCC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC000509085725 1120633887 /nfs/dbraw/zinc/63/38/87/1120633887.db2.gz RVJHMNOMQLNUNM-LBPRGKRZSA-N 0 1 285.840 3.763 20 0 CHADMN CS[C@H]1CCCC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000509085725 1120633890 /nfs/dbraw/zinc/63/38/90/1120633890.db2.gz RVJHMNOMQLNUNM-LBPRGKRZSA-N 0 1 285.840 3.763 20 0 CHADMN CS[C@H]1CCCC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000509085725 1120633891 /nfs/dbraw/zinc/63/38/91/1120633891.db2.gz RVJHMNOMQLNUNM-LBPRGKRZSA-N 0 1 285.840 3.763 20 0 CHADMN Cc1ccc(C[C@@H](C)N(C)Cc2noc3c2CCCC3)cc1 ZINC000156861268 1120637212 /nfs/dbraw/zinc/63/72/12/1120637212.db2.gz KIPXKZRUKWMXOX-OAHLLOKOSA-N 0 1 298.430 3.925 20 0 CHADMN Cc1cc(-c2cccc([C@H]3COCCN3)c2)c(F)cc1F ZINC000629712402 1128929843 /nfs/dbraw/zinc/92/98/43/1128929843.db2.gz VXBRGRZSENCARZ-QGZVFWFLSA-N 0 1 289.325 3.601 20 0 CHADMN CC[C@@H](C)CN(C)Cc1coc(-c2ccccc2F)n1 ZINC000625160131 1120641412 /nfs/dbraw/zinc/64/14/12/1120641412.db2.gz ZEJWBJUJNQJKHK-GFCCVEGCSA-N 0 1 276.355 3.959 20 0 CHADMN Cc1nc2ccccc2nc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000482947806 1120641927 /nfs/dbraw/zinc/64/19/27/1120641927.db2.gz NWRDYVWZSYCEOR-LJQANCHMSA-N 0 1 289.382 3.885 20 0 CHADMN Cc1nc2ccccc2nc1CN1CC[C@@H]1c1ccccc1 ZINC000482947806 1120641931 /nfs/dbraw/zinc/64/19/31/1120641931.db2.gz NWRDYVWZSYCEOR-LJQANCHMSA-N 0 1 289.382 3.885 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3Cc3cncs3)[nH]c2c1 ZINC000660553625 1120656732 /nfs/dbraw/zinc/65/67/32/1120656732.db2.gz VOMLXQXRLFSBHE-HNNXBMFYSA-N 0 1 298.415 3.665 20 0 CHADMN CCc1nc([C@@H](C)N2CC(C)(C)[C@@H]2c2cccs2)n[nH]1 ZINC000660556568 1120657922 /nfs/dbraw/zinc/65/79/22/1120657922.db2.gz GYLNGRGRRBQDLT-MFKMUULPSA-N 0 1 290.436 3.573 20 0 CHADMN CCO[C@@H](CN[C@@H](C)c1c(F)cccc1Cl)C1CC1 ZINC000625309350 1120665062 /nfs/dbraw/zinc/66/50/62/1120665062.db2.gz MCWMYQNVFGLULA-HZMBPMFUSA-N 0 1 285.790 3.945 20 0 CHADMN CC1(C)CN(Cc2cnc3ccccc3c2)C(C)(C)CO1 ZINC000678269589 1120666022 /nfs/dbraw/zinc/66/60/22/1120666022.db2.gz CVRYMOZNLAPSCT-UHFFFAOYSA-N 0 1 284.403 3.624 20 0 CHADMN COc1cc(CN(C(C)C)[C@@H](C)c2ccccc2)on1 ZINC000660608306 1120667405 /nfs/dbraw/zinc/66/74/05/1120667405.db2.gz MYQAINIXVQGURP-ZDUSSCGKSA-N 0 1 274.364 3.655 20 0 CHADMN COc1cncc(CN[C@H](C)c2cc3ccccc3s2)n1 ZINC000625321354 1120667702 /nfs/dbraw/zinc/66/77/02/1120667702.db2.gz LBDHQJLFOPOCGN-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN C[C@@H](N(C)Cn1c(=O)oc2cc(Cl)ccc21)C(C)(C)C ZINC000026630488 1120668576 /nfs/dbraw/zinc/66/85/76/1120668576.db2.gz VXRQDEPYKCEQEO-SNVBAGLBSA-N 0 1 296.798 3.572 20 0 CHADMN COc1ccc(C)cc1CSc1nc(C(C)(C)C)n[nH]1 ZINC000028855782 1120670699 /nfs/dbraw/zinc/67/06/99/1120670699.db2.gz KGXHVMBNJLGSSE-UHFFFAOYSA-N 0 1 291.420 3.712 20 0 CHADMN COc1ccc(C)cc1CSc1n[nH]c(C(C)(C)C)n1 ZINC000028855782 1120670702 /nfs/dbraw/zinc/67/07/02/1120670702.db2.gz KGXHVMBNJLGSSE-UHFFFAOYSA-N 0 1 291.420 3.712 20 0 CHADMN Cc1cnc2c(c1)CN([C@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001168741810 1120671728 /nfs/dbraw/zinc/67/17/28/1120671728.db2.gz ARLBTFXZBKELCD-HNNXBMFYSA-N 0 1 298.817 3.569 20 0 CHADMN c1cn(-c2ccccc2)c(CN(C2CCC2)C2CCC2)n1 ZINC000429140200 1120675677 /nfs/dbraw/zinc/67/56/77/1120675677.db2.gz INEBWDXTXFBPAK-UHFFFAOYSA-N 0 1 281.403 3.779 20 0 CHADMN CCC[C@@H](NCc1nnc(C(F)(F)F)s1)C(C)(C)C ZINC000660692491 1120677554 /nfs/dbraw/zinc/67/75/54/1120677554.db2.gz PKWOPTIURRDXOK-MRVPVSSYSA-N 0 1 295.374 3.861 20 0 CHADMN CCO[C@H]1CCN(Cc2cccc(OC)c2Cl)C[C@@H]1C ZINC000660720449 1120679895 /nfs/dbraw/zinc/67/98/95/1120679895.db2.gz OXEFNHVCISFQBW-JSGCOSHPSA-N 0 1 297.826 3.596 20 0 CHADMN Cc1cc(F)c(-c2ccc([C@H]3COCCN3)cc2)c(F)c1 ZINC000629739881 1128932990 /nfs/dbraw/zinc/93/29/90/1128932990.db2.gz MZKXDVVULTVXCK-MRXNPFEDSA-N 0 1 289.325 3.601 20 0 CHADMN CN(CCCC(C)(C)C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660765467 1120686650 /nfs/dbraw/zinc/68/66/50/1120686650.db2.gz WAXBOODFTOBBHQ-OAHLLOKOSA-N 0 1 286.423 3.652 20 0 CHADMN CN(CCC1=CCCCC1)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660768885 1120687232 /nfs/dbraw/zinc/68/72/32/1120687232.db2.gz VJIODWSXXMGBRQ-KRWDZBQOSA-N 0 1 296.418 3.716 20 0 CHADMN O=c1cc(C2CCCC2)[nH]n1-c1cccc(Cl)c1 ZINC000132846185 1120689492 /nfs/dbraw/zinc/68/94/92/1120689492.db2.gz DHUXUGJVDQVTLQ-UHFFFAOYSA-N 0 1 262.740 3.623 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)C3CCCC3)cc2[nH]1 ZINC000029871485 1120692096 /nfs/dbraw/zinc/69/20/96/1120692096.db2.gz SYKGLLHKTWRDAW-UHFFFAOYSA-N 0 1 285.391 3.989 20 0 CHADMN CCc1noc(CN2CCC[C@@H]2CC2CCCCC2)n1 ZINC000057871643 1120700156 /nfs/dbraw/zinc/70/01/56/1120700156.db2.gz NVGSHGDKSCJHLN-CQSZACIVSA-N 0 1 277.412 3.567 20 0 CHADMN Fc1cccc(-c2cnc(CN3C[C@@H]4CCCC[C@@H]43)o2)c1 ZINC000660928741 1120705167 /nfs/dbraw/zinc/70/51/67/1120705167.db2.gz BQAOOUFPINRYAP-ZFWWWQNUSA-N 0 1 286.350 3.855 20 0 CHADMN CC(C)Oc1ccc(CNCc2cc3cnccc3o2)cc1 ZINC000651674453 1120707339 /nfs/dbraw/zinc/70/73/39/1120707339.db2.gz PKMRFJSIHFXNRD-UHFFFAOYSA-N 0 1 296.370 3.905 20 0 CHADMN c1c2cnccc2oc1CN[C@H]1CCCOc2ccccc21 ZINC000651696059 1120714513 /nfs/dbraw/zinc/71/45/13/1120714513.db2.gz GCVYUKGXUYDOBD-INIZCTEOSA-N 0 1 294.354 3.831 20 0 CHADMN COc1ccc(C2(NCc3cc4cnccc4o3)CC2)cc1 ZINC000651699702 1120715964 /nfs/dbraw/zinc/71/59/64/1120715964.db2.gz DRYVBFVICWQXRP-UHFFFAOYSA-N 0 1 294.354 3.615 20 0 CHADMN COc1ccsc1CN1CCC[C@H]1c1ccc(C)nc1 ZINC001141327472 1120732190 /nfs/dbraw/zinc/73/21/90/1120732190.db2.gz VQTDQZASJOXKIE-AWEZNQCLSA-N 0 1 288.416 3.797 20 0 CHADMN CCc1cccc(CNCc2ccc(Cl)cn2)c1 ZINC000651748559 1120735153 /nfs/dbraw/zinc/73/51/53/1120735153.db2.gz PVHCZYKTKJEJQM-UHFFFAOYSA-N 0 1 260.768 3.587 20 0 CHADMN COCC[C@@H](NCc1cccc2c1CCC2)c1ccc(C)o1 ZINC000651756242 1120735571 /nfs/dbraw/zinc/73/55/71/1120735571.db2.gz OZOIBXKOFMSXLB-GOSISDBHSA-N 0 1 299.414 3.944 20 0 CHADMN CC[C@@]1(C)CCC[C@H]1NCc1nc(-c2ccccc2)no1 ZINC000651763616 1120738074 /nfs/dbraw/zinc/73/80/74/1120738074.db2.gz FFFJFEDUZFRMDO-PBHICJAKSA-N 0 1 285.391 3.795 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1nc(-c2ccsc2)no1 ZINC000661234023 1120741934 /nfs/dbraw/zinc/74/19/34/1120741934.db2.gz DPCGCGCVGWPHJR-SNVBAGLBSA-N 0 1 279.409 3.712 20 0 CHADMN Cc1ccc2c(c1)CN([C@H](C)c1ccccn1)CC2 ZINC000661371076 1120756674 /nfs/dbraw/zinc/75/66/74/1120756674.db2.gz CAGDCRZIFOHVHZ-CQSZACIVSA-N 0 1 252.361 3.509 20 0 CHADMN CCC1(CC)CCC(N[C@@H](C)c2csnn2)CC1 ZINC000651831996 1120757601 /nfs/dbraw/zinc/75/76/01/1120757601.db2.gz SEIFCQOUHFZUFF-NSHDSACASA-N 0 1 267.442 3.938 20 0 CHADMN CC(C)COCCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661433417 1120764952 /nfs/dbraw/zinc/76/49/52/1120764952.db2.gz GGQGGBJBJBSWPC-INIZCTEOSA-N 0 1 277.408 3.869 20 0 CHADMN c1coc([C@H]2N(CCOC3CCC3)CC23CCCC3)c1 ZINC000661435224 1120765468 /nfs/dbraw/zinc/76/54/68/1120765468.db2.gz NTULQBZKDOMARV-MRXNPFEDSA-N 0 1 275.392 3.766 20 0 CHADMN Cc1cncc(CCN2CC3(CCCC3)[C@@H]2c2ccco2)n1 ZINC000661434606 1120766288 /nfs/dbraw/zinc/76/62/88/1120766288.db2.gz LJNWPXIKMFSWRV-KRWDZBQOSA-N 0 1 297.402 3.538 20 0 CHADMN c1coc([C@@H]2N(CCOCC3CC3)CC23CCCC3)c1 ZINC000661448085 1120767097 /nfs/dbraw/zinc/76/70/97/1120767097.db2.gz ZVSJOFOGISEBHR-INIZCTEOSA-N 0 1 275.392 3.623 20 0 CHADMN COc1cc(CN[C@@H](c2ccccc2F)C(C)C)sn1 ZINC000661483730 1120770230 /nfs/dbraw/zinc/77/02/30/1120770230.db2.gz JCRUTAQQEYZYDH-OAHLLOKOSA-N 0 1 294.395 3.778 20 0 CHADMN COCc1ccc(CN2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000661510722 1120774297 /nfs/dbraw/zinc/77/42/97/1120774297.db2.gz VSYDABLJTOWTNF-SFHVURJKSA-N 0 1 285.362 3.919 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1ccccc1 ZINC000197205435 1128939556 /nfs/dbraw/zinc/93/95/56/1128939556.db2.gz YIBNJUPHRRPTTG-UHFFFAOYSA-N 0 1 277.327 3.637 20 0 CHADMN CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])[C@H]1CCCO1 ZINC000248530443 1120777623 /nfs/dbraw/zinc/77/76/23/1120777623.db2.gz XHNYFLGYFGKIQL-RIEGTJTDSA-N 0 1 283.799 3.654 20 0 CHADMN c1coc([C@@H]2[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000661563216 1120779382 /nfs/dbraw/zinc/77/93/82/1120779382.db2.gz WNCMNBWLKJGPPG-KRWDZBQOSA-N 0 1 283.371 3.633 20 0 CHADMN c1coc([C@@H]2N(Cc3ccccc3)CC23CCOCC3)c1 ZINC000661563216 1120779383 /nfs/dbraw/zinc/77/93/83/1120779383.db2.gz WNCMNBWLKJGPPG-KRWDZBQOSA-N 0 1 283.371 3.633 20 0 CHADMN FC(F)(F)c1ccccc1-c1noc([C@H]2CCCCN2)n1 ZINC000257896221 1120784825 /nfs/dbraw/zinc/78/48/25/1120784825.db2.gz DAGDUXUWBYGWKM-LLVKDONJSA-N 0 1 297.280 3.570 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N1CCC[C@](O)(C2CC2)C1 ZINC000661627443 1120787337 /nfs/dbraw/zinc/78/73/37/1120787337.db2.gz RDKWAHWFFGOGLE-MEDUHNTESA-N 0 1 297.801 3.777 20 0 CHADMN CCC1(CC)CCCN([C@H](C)c2nc(C3CC3)no2)C1 ZINC000661674473 1120792690 /nfs/dbraw/zinc/79/26/90/1120792690.db2.gz KHSXCOVBCZMYNO-GFCCVEGCSA-N 0 1 277.412 3.910 20 0 CHADMN CCC1(CC)CCCN(Cc2nc(C)oc2C)C1 ZINC000661672153 1120793252 /nfs/dbraw/zinc/79/32/52/1120793252.db2.gz LPRUPAVBPIHTRA-UHFFFAOYSA-N 0 1 250.386 3.694 20 0 CHADMN FCC[C@@H]1CCCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000661694013 1120794629 /nfs/dbraw/zinc/79/46/29/1120794629.db2.gz VGHFIAMNBKXXFF-NSHDSACASA-N 0 1 280.318 3.539 20 0 CHADMN FCC[C@@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000661692983 1120797545 /nfs/dbraw/zinc/79/75/45/1120797545.db2.gz JQJUOKPXOORNGQ-NSHDSACASA-N 0 1 257.299 3.536 20 0 CHADMN Cc1ncc(CN[C@@H](CC(C)C)c2ccc(F)cc2)o1 ZINC000652208713 1120798771 /nfs/dbraw/zinc/79/87/71/1120798771.db2.gz NDZFZOJBTWYLDR-INIZCTEOSA-N 0 1 276.355 3.999 20 0 CHADMN CC[C@H](NCc1cccc2ccsc21)c1nccn1C ZINC000652219910 1120801703 /nfs/dbraw/zinc/80/17/03/1120801703.db2.gz OZBNPUIWAIODIV-AWEZNQCLSA-N 0 1 285.416 3.876 20 0 CHADMN COc1cc(Cl)ncc1CN1CCC[C@@H]2CCC[C@H]21 ZINC001141341463 1120809844 /nfs/dbraw/zinc/80/98/44/1120809844.db2.gz CPEABYLSHZCLFK-WCQYABFASA-N 0 1 280.799 3.508 20 0 CHADMN Cc1cccnc1CN(Cc1ccccc1F)CC1CC1 ZINC000661791260 1120814690 /nfs/dbraw/zinc/81/46/90/1120814690.db2.gz FXLFCDAIDOJARE-UHFFFAOYSA-N 0 1 284.378 3.941 20 0 CHADMN C[C@H](NC[C@@H]1CC[C@H](c2ccccc2)O1)c1cscn1 ZINC000652309183 1120818362 /nfs/dbraw/zinc/81/83/62/1120818362.db2.gz JAGIYLSURVWVJN-DUVNUKRYSA-N 0 1 288.416 3.714 20 0 CHADMN CC[C@@H]1CCCCN1CC(=O)Nc1cc(C)ccc1C ZINC000048418887 1120818871 /nfs/dbraw/zinc/81/88/71/1120818871.db2.gz VBOLIMOFJJQWQW-OAHLLOKOSA-N 0 1 274.408 3.506 20 0 CHADMN CCC[C@H](C)[N@@H+](C)Cc1nn(CC)c2ccccc12 ZINC000473148860 1120819706 /nfs/dbraw/zinc/81/97/06/1120819706.db2.gz RMTOUEGQIIQRLV-ZDUSSCGKSA-N 0 1 259.397 3.677 20 0 CHADMN OC[C@H](NCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000062998945 1120820751 /nfs/dbraw/zinc/82/07/51/1120820751.db2.gz YPBUWKRJGGRUJZ-HNNXBMFYSA-N 0 1 296.197 3.817 20 0 CHADMN Clc1cnccc1CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661878419 1120832156 /nfs/dbraw/zinc/83/21/56/1120832156.db2.gz NTXCMGOZXJLFIY-GOEBONIOSA-N 0 1 294.826 3.516 20 0 CHADMN CC[C@@](C)(NC(=O)c1cccc(F)c1O)c1ccccc1 ZINC001126171143 1120839905 /nfs/dbraw/zinc/83/99/05/1120839905.db2.gz VPEYRDOSFKMIQR-QGZVFWFLSA-N 0 1 287.334 3.587 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](C)CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000652389203 1120851077 /nfs/dbraw/zinc/85/10/77/1120851077.db2.gz CJJVCXDWTCHHIW-DZGCQCFKSA-N 0 1 287.359 3.531 20 0 CHADMN CCCCc1noc([C@H](C)N[C@@H](C)C2CCC(F)CC2)n1 ZINC000661999831 1120854888 /nfs/dbraw/zinc/85/48/88/1120854888.db2.gz IFEMUCDXYOQMDV-FEPKRQSRSA-N 0 1 297.418 3.980 20 0 CHADMN CCCCc1noc([C@@H](C)N[C@@H](C)C2CCC(F)CC2)n1 ZINC000661999836 1120855436 /nfs/dbraw/zinc/85/54/36/1120855436.db2.gz IFEMUCDXYOQMDV-MRFVTOPCSA-N 0 1 297.418 3.980 20 0 CHADMN C[C@H](C[N@@H+](C)[C@@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC000652409059 1120856611 /nfs/dbraw/zinc/85/66/11/1120856611.db2.gz BQZIIMRHYAZWIL-IUODEOHRSA-N 0 1 289.400 3.609 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000652429247 1120861206 /nfs/dbraw/zinc/86/12/06/1120861206.db2.gz DWSOMJNWJRKRRD-ZFWWWQNUSA-N 0 1 299.370 3.746 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662035713 1120861762 /nfs/dbraw/zinc/86/17/62/1120861762.db2.gz ABVINVBQKIDSEF-JSGCOSHPSA-N 0 1 291.439 3.940 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CCC[C@H](C2CCC2)C1 ZINC000662035713 1120861765 /nfs/dbraw/zinc/86/17/65/1120861765.db2.gz ABVINVBQKIDSEF-JSGCOSHPSA-N 0 1 291.439 3.940 20 0 CHADMN C[C@H]1CC[N@@H+](CCCCCC(=O)[O-])[C@@H](c2ccco2)C1 ZINC000652432548 1120861970 /nfs/dbraw/zinc/86/19/70/1120861970.db2.gz NUXATPVGTSKQMH-UONOGXRCSA-N 0 1 279.380 3.698 20 0 CHADMN C[C@@H](c1ccccc1F)N1CCC(c2ccon2)CC1 ZINC000662046465 1120864443 /nfs/dbraw/zinc/86/44/43/1120864443.db2.gz GETWXVGXIOMYKK-LBPRGKRZSA-N 0 1 274.339 3.754 20 0 CHADMN C[C@H]1CC[C@]2(CC[N@@H+](Cc3ccc(C(=O)[O-])cc3F)C2)C1 ZINC000652442964 1120864875 /nfs/dbraw/zinc/86/48/75/1120864875.db2.gz CRGPAIOAVAITMI-SJCJKPOMSA-N 0 1 291.366 3.536 20 0 CHADMN OC[C@H](N[C@H]1C=CCCC1)c1cccc(Cl)c1Cl ZINC000662049655 1120865241 /nfs/dbraw/zinc/86/52/41/1120865241.db2.gz BHUUDRJTBXFAHF-GWCFXTLKSA-N 0 1 286.202 3.725 20 0 CHADMN CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000652450926 1120865862 /nfs/dbraw/zinc/86/58/62/1120865862.db2.gz LQUFXWIMTKIARW-GXTWGEPZSA-N 0 1 291.391 3.626 20 0 CHADMN CC(C)(C)c1ccc(C[N@@H+](CCC(=O)[O-])CC2CC2)cc1 ZINC000652468598 1120868390 /nfs/dbraw/zinc/86/83/90/1120868390.db2.gz LWCNAMMACTUBBA-UHFFFAOYSA-N 0 1 289.419 3.671 20 0 CHADMN CC(C)CC1(N[C@@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000662068095 1120869266 /nfs/dbraw/zinc/86/92/66/1120869266.db2.gz BFNJYJIIUBAIPC-ZDUSSCGKSA-N 0 1 285.391 3.966 20 0 CHADMN Cc1cccc(-c2noc(CNC3(CC(C)C)CC3)n2)c1 ZINC000662068458 1120869702 /nfs/dbraw/zinc/86/97/02/1120869702.db2.gz GYYPORWFFSFVCN-UHFFFAOYSA-N 0 1 285.391 3.713 20 0 CHADMN Cc1ccccc1CCC[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000652482213 1120870198 /nfs/dbraw/zinc/87/01/98/1120870198.db2.gz SNSHDSSMHLCNJJ-UHFFFAOYSA-N 0 1 289.419 3.647 20 0 CHADMN COCCO[C@@H]1CCCN([C@H](C)c2ccccc2Cl)C1 ZINC000246003243 1120874077 /nfs/dbraw/zinc/87/40/77/1120874077.db2.gz YMXHFTFCUITDJH-ZIAGYGMSSA-N 0 1 297.826 3.528 20 0 CHADMN CCOc1cc2c(cc1CNCc1ccccc1)O[C@@H](C)C2 ZINC000020542543 1120883763 /nfs/dbraw/zinc/88/37/63/1120883763.db2.gz VUKNOFHSJMKVDF-AWEZNQCLSA-N 0 1 297.398 3.699 20 0 CHADMN Fc1ccc(-c2cccc([C@H]3COCCN3)c2)c(Cl)c1 ZINC000630060798 1128946928 /nfs/dbraw/zinc/94/69/28/1128946928.db2.gz QTPFLPZPMLJBDG-MRXNPFEDSA-N 0 1 291.753 3.807 20 0 CHADMN CC(C)=CCNCc1ccc(CSC(F)F)o1 ZINC000191626982 1128946958 /nfs/dbraw/zinc/94/69/58/1128946958.db2.gz DFDVTKOQXFORBL-UHFFFAOYSA-N 0 1 261.337 3.791 20 0 CHADMN CC(C)(C)n1cc(CN2CCCC[C@@H]2CC2CCC2)nn1 ZINC000662158865 1120888243 /nfs/dbraw/zinc/88/82/43/1120888243.db2.gz YAIKZJCWPMORAK-MRXNPFEDSA-N 0 1 290.455 3.578 20 0 CHADMN C[C@@H](c1ccco1)N(C(=O)c1cccc2c[nH]nc21)C1CC1 ZINC000056183741 1120890369 /nfs/dbraw/zinc/89/03/69/1120890369.db2.gz VJCIKPKWPSVYQQ-NSHDSACASA-N 0 1 295.342 3.522 20 0 CHADMN COC(=O)[C@@H]1C[C@@H](C)N(Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000599704441 1120890470 /nfs/dbraw/zinc/89/04/70/1120890470.db2.gz DVVHRMMSVXOHOQ-DABQJJPHSA-N 0 1 295.810 3.502 20 0 CHADMN CC(C)c1noc([C@@H](C)N(C)C[C@@H]2CCc3ccccc32)n1 ZINC000662199362 1120896339 /nfs/dbraw/zinc/89/63/39/1120896339.db2.gz ONCFHPXEOBJYKH-HIFRSBDPSA-N 0 1 299.418 3.916 20 0 CHADMN CO[C@H]1CN(Cc2cnc(C3CCCC3)s2)CC[C@@H]1C ZINC000188323985 1120899387 /nfs/dbraw/zinc/89/93/87/1120899387.db2.gz NEOYJHQNXMIURY-WFASDCNBSA-N 0 1 294.464 3.658 20 0 CHADMN COc1cccc(OC)c1CNc1ccc2cnccc2c1 ZINC000630068657 1128947663 /nfs/dbraw/zinc/94/76/63/1128947663.db2.gz YYPSNWLNCAOGTR-UHFFFAOYSA-N 0 1 294.354 3.864 20 0 CHADMN COc1cc(CNc2ccc3c[nH]nc3c2)ccc1SC ZINC000630066968 1128947869 /nfs/dbraw/zinc/94/78/69/1128947869.db2.gz IGRARGUGKUKDIH-UHFFFAOYSA-N 0 1 299.399 3.906 20 0 CHADMN CC[N@@H+](CC1CCC(c2ccccc2)CC1)[C@@H](C)C(=O)[O-] ZINC000662214197 1120903424 /nfs/dbraw/zinc/90/34/24/1120903424.db2.gz DGGPXCPYWUPLBQ-UQPPLGOBSA-N 0 1 289.419 3.755 20 0 CHADMN C[C@H](NCCOCCF)c1cc(Cl)sc1Cl ZINC000663462302 1120978027 /nfs/dbraw/zinc/97/80/27/1120978027.db2.gz ANNKDABNNRAEGT-ZETCQYMHSA-N 0 1 286.199 3.692 20 0 CHADMN Cc1cccc(CNCc2cccc(C(C)C)c2)n1 ZINC000663318735 1120923303 /nfs/dbraw/zinc/92/33/03/1120923303.db2.gz YMGWYVNXKXEZJP-UHFFFAOYSA-N 0 1 254.377 3.803 20 0 CHADMN Clc1cc(CN[C@H]2COC3(CCC3)C2)c(Cl)s1 ZINC000688285672 1128953928 /nfs/dbraw/zinc/95/39/28/1128953928.db2.gz ZKJBHRHJJMGHGE-SECBINFHSA-N 0 1 292.231 3.856 20 0 CHADMN CC(C)c1cccc(CNCc2ncccc2N(C)C)c1 ZINC000663325209 1120926503 /nfs/dbraw/zinc/92/65/03/1120926503.db2.gz INEHOQNIARRCPC-UHFFFAOYSA-N 0 1 283.419 3.561 20 0 CHADMN COc1cccc(CN[C@]2(c3ccccc3)CC2(C)C)n1 ZINC000662345432 1120928982 /nfs/dbraw/zinc/92/89/82/1120928982.db2.gz ZVXQMZPFCHLMMB-SFHVURJKSA-N 0 1 282.387 3.505 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)N2CC3CC2(C)C3)n1 ZINC000662384291 1120932528 /nfs/dbraw/zinc/93/25/28/1120932528.db2.gz WXCRNHRKZMOIKF-SFYCDEOASA-N 0 1 283.375 3.590 20 0 CHADMN Cc1ccccc1-c1cnc(CN2CC3CC2(C)C3)o1 ZINC000662382964 1120933392 /nfs/dbraw/zinc/93/33/92/1120933392.db2.gz GENIRVSWKJNFAQ-UHFFFAOYSA-N 0 1 268.360 3.634 20 0 CHADMN CC12CC(C1)CN2Cc1cc(-c2ccccc2Cl)on1 ZINC000662385717 1120933431 /nfs/dbraw/zinc/93/34/31/1120933431.db2.gz CEENIVNDJNOESL-UHFFFAOYSA-N 0 1 288.778 3.979 20 0 CHADMN CCC1(CC)CCN(C(=O)c2cc(C(C)C)[nH]n2)CC1 ZINC000188612351 1120936622 /nfs/dbraw/zinc/93/66/22/1120936622.db2.gz IPPYNSKIRSFQPI-UHFFFAOYSA-N 0 1 277.412 3.576 20 0 CHADMN COCC1(NCc2ncc(C(C)(C)C)s2)CCCCC1 ZINC000663337105 1120938878 /nfs/dbraw/zinc/93/88/78/1120938878.db2.gz KPFGSBVLSFQZID-UHFFFAOYSA-N 0 1 296.480 3.880 20 0 CHADMN CCc1ccc(CNCc2cnccc2C(F)(F)F)cc1 ZINC000663352978 1120943762 /nfs/dbraw/zinc/94/37/62/1120943762.db2.gz XSSVZCJBGSNSPG-UHFFFAOYSA-N 0 1 294.320 3.953 20 0 CHADMN CCC(CC)[C@@H](NCc1cc[nH]n1)c1cccs1 ZINC000066990766 1120952483 /nfs/dbraw/zinc/95/24/83/1120952483.db2.gz HQAQKGALDDCTQA-CQSZACIVSA-N 0 1 263.410 3.738 20 0 CHADMN CC1(C)SC[C@@H]1NCc1csc(-c2cccs2)n1 ZINC000554940085 1128952030 /nfs/dbraw/zinc/95/20/30/1128952030.db2.gz WYRUEXJXNBMMOD-NSHDSACASA-N 0 1 296.486 3.855 20 0 CHADMN c1ccc(-c2n[nH]c(Sc3nc4ccccc4o3)n2)cc1 ZINC000051650160 1120965471 /nfs/dbraw/zinc/96/54/71/1120965471.db2.gz OKVUGBFJZWQLTN-UHFFFAOYSA-N 0 1 294.339 3.764 20 0 CHADMN Cc1ccc(F)c(C[N@H+]2CC[C@H](c3nccs3)C2)c1F ZINC000931687526 1120966644 /nfs/dbraw/zinc/96/66/44/1120966644.db2.gz AYHYDXIXOHWPFG-NSHDSACASA-N 0 1 294.370 3.719 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H](c3nccs3)C2)c1F ZINC000931687526 1120966646 /nfs/dbraw/zinc/96/66/46/1120966646.db2.gz AYHYDXIXOHWPFG-NSHDSACASA-N 0 1 294.370 3.719 20 0 CHADMN Cc1ccoc1CN(C)Cc1nccc2ccccc21 ZINC000644840872 1120967651 /nfs/dbraw/zinc/96/76/51/1120967651.db2.gz SBKKICYTSIPPBP-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN CC[C@H](F)C(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC001342588495 1120983986 /nfs/dbraw/zinc/98/39/86/1120983986.db2.gz CIKMJXYEROUKKU-CBAPKCEASA-N 0 1 284.718 3.569 20 0 CHADMN C[C@@H](NCc1cnccc1C(F)(F)F)c1cccc(O)c1 ZINC000663471495 1120985902 /nfs/dbraw/zinc/98/59/02/1120985902.db2.gz PZHCAWFCOZIKFQ-SNVBAGLBSA-N 0 1 296.292 3.657 20 0 CHADMN C[C@H](C(=O)NCc1nc2ccc(Cl)cc2[nH]1)C(C)(C)C ZINC000604331747 1120988854 /nfs/dbraw/zinc/98/88/54/1120988854.db2.gz HVGXFZPUMMZNBA-SECBINFHSA-N 0 1 293.798 3.515 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](c2ccccc2)[C@H](C)O)oc1C ZINC000658359015 1120993860 /nfs/dbraw/zinc/99/38/60/1120993860.db2.gz CVKDWUVFLSHGOL-GDZNZVCISA-N 0 1 273.376 3.669 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000093419517 1128955213 /nfs/dbraw/zinc/95/52/13/1128955213.db2.gz ZKBFPGGVEXABSL-CYBMUJFWSA-N 0 1 285.790 3.728 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000058505467 1121029504 /nfs/dbraw/zinc/02/95/04/1121029504.db2.gz YYPJWXRLGKDRJH-UHFFFAOYSA-N 0 1 299.374 3.546 20 0 CHADMN Fc1cc(Br)cc(C[N@H+]2CCC[C@@H]2C2CC2)c1 ZINC000674005829 1121033365 /nfs/dbraw/zinc/03/33/65/1121033365.db2.gz NTLQRIZDQLMDIO-CQSZACIVSA-N 0 1 298.199 3.963 20 0 CHADMN Fc1cc(Br)cc(CN2CCC[C@@H]2C2CC2)c1 ZINC000674005829 1121033374 /nfs/dbraw/zinc/03/33/74/1121033374.db2.gz NTLQRIZDQLMDIO-CQSZACIVSA-N 0 1 298.199 3.963 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)NCCC(C)C)n2)cc1F ZINC000543542159 1121034698 /nfs/dbraw/zinc/03/46/98/1121034698.db2.gz IHJACWHKNLRUAV-LBPRGKRZSA-N 0 1 291.370 3.881 20 0 CHADMN CCc1ccc(CN2CCC[C@H]2c2cccc(C)n2)o1 ZINC000093453378 1128958536 /nfs/dbraw/zinc/95/85/36/1128958536.db2.gz JJVFKAQXROTJIB-KRWDZBQOSA-N 0 1 270.376 3.883 20 0 CHADMN C[C@H]1CN(Cc2csc(C3CC3)n2)CC(C)(C)C1 ZINC000344021563 1121055052 /nfs/dbraw/zinc/05/50/52/1121055052.db2.gz HCZXHVNITSWDPY-LLVKDONJSA-N 0 1 264.438 3.889 20 0 CHADMN C[C@H](C(=O)c1c[nH]c2ncccc12)N1C[C@@H](C)CC(C)(C)C1 ZINC000344026432 1121057514 /nfs/dbraw/zinc/05/75/14/1121057514.db2.gz JRMLKSFBOAPQMA-QWHCGFSZSA-N 0 1 299.418 3.502 20 0 CHADMN CC(C)c1noc([C@H](C)N(C)C[C@H]2CC=CCC2)n1 ZINC000344045583 1121065556 /nfs/dbraw/zinc/06/55/56/1121065556.db2.gz JWGIMJHZLHFIKO-STQMWFEESA-N 0 1 263.385 3.542 20 0 CHADMN C[C@H](CNc1ccnc2cc(F)ccc21)c1ccncc1 ZINC000674066927 1121073390 /nfs/dbraw/zinc/07/33/90/1121073390.db2.gz WFMUMKYYPPHMDN-GFCCVEGCSA-N 0 1 281.334 3.985 20 0 CHADMN Cc1ccc(-c2nc(CN3CCC(C)(C)C3)co2)cc1 ZINC000076013794 1121085195 /nfs/dbraw/zinc/08/51/95/1121085195.db2.gz AMPPRWYAXPQGAJ-UHFFFAOYSA-N 0 1 270.376 3.882 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc3ncccc3c2)o1 ZINC000037976785 1121094825 /nfs/dbraw/zinc/09/48/25/1121094825.db2.gz JNJVPMZNDBTHSQ-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cnc(Cl)c(C)c1 ZINC000773427273 1121099752 /nfs/dbraw/zinc/09/97/52/1121099752.db2.gz JPDRNVCNIXHJKJ-LBPRGKRZSA-N 0 1 289.810 3.852 20 0 CHADMN Cc1nc(C[N@H+]2CC[C@@H](c3cccc(C)c3)C2)cs1 ZINC000344146423 1121102186 /nfs/dbraw/zinc/10/21/86/1121102186.db2.gz FSZHTUSUPBVUSN-OAHLLOKOSA-N 0 1 272.417 3.749 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3cccc(C)c3)C2)cs1 ZINC000344146423 1121102192 /nfs/dbraw/zinc/10/21/92/1121102192.db2.gz FSZHTUSUPBVUSN-OAHLLOKOSA-N 0 1 272.417 3.749 20 0 CHADMN CN(Cc1cscn1)C1CCC(C(F)(F)F)CC1 ZINC000344147654 1121103927 /nfs/dbraw/zinc/10/39/27/1121103927.db2.gz QCKPNHRECATSFH-UHFFFAOYSA-N 0 1 278.343 3.696 20 0 CHADMN COc1ccncc1CN[C@H](C)c1cc2ccncc2s1 ZINC000658022339 1121112334 /nfs/dbraw/zinc/11/23/34/1121112334.db2.gz ZWXIVPXXJMBINB-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN COc1ccncc1CN[C@@H](C)c1cc2ccncc2s1 ZINC000658022340 1121113291 /nfs/dbraw/zinc/11/32/91/1121113291.db2.gz ZWXIVPXXJMBINB-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN Cc1cccc(N(C)C(=O)c2cc(-c3cccs3)n[nH]2)c1 ZINC000171415848 1121113771 /nfs/dbraw/zinc/11/37/71/1121113771.db2.gz MCHGXLPLFAYQOJ-UHFFFAOYSA-N 0 1 297.383 3.723 20 0 CHADMN C[C@H](c1ccccc1F)N1CCCc2occc2C1 ZINC000344200906 1121119376 /nfs/dbraw/zinc/11/93/76/1121119376.db2.gz QHDZKDPVVVUJPZ-GFCCVEGCSA-N 0 1 259.324 3.928 20 0 CHADMN Cc1nnc([C@@H](C)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)o1 ZINC000282521409 1121121383 /nfs/dbraw/zinc/12/13/83/1121121383.db2.gz TYEOOKUIMRMQAJ-VDNDLQMASA-N 0 1 297.402 3.850 20 0 CHADMN COc1ccc2c(c1)CN(CCCc1cccc(F)c1)C2 ZINC001207605534 1121121738 /nfs/dbraw/zinc/12/17/38/1121121738.db2.gz RAWPFNOMDDCWAT-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCc1ccccn1 ZINC000344220078 1121123514 /nfs/dbraw/zinc/12/35/14/1121123514.db2.gz HEYNFLLNWCPUEL-LBPRGKRZSA-N 0 1 288.341 3.522 20 0 CHADMN C[C@H]1c2cc(F)cc(F)c2CCN1CCc1ccccn1 ZINC000344220078 1121123517 /nfs/dbraw/zinc/12/35/17/1121123517.db2.gz HEYNFLLNWCPUEL-LBPRGKRZSA-N 0 1 288.341 3.522 20 0 CHADMN c1ccc(C2CCN(Cc3noc4c3CCCC4)CC2)cc1 ZINC000171731424 1121127445 /nfs/dbraw/zinc/12/74/45/1121127445.db2.gz PRJWDZNOXJXMBN-UHFFFAOYSA-N 0 1 296.414 3.933 20 0 CHADMN Fc1cccc(C2(N[C@H]3CCCn4nccc43)CCC2)c1 ZINC000658042040 1121128236 /nfs/dbraw/zinc/12/82/36/1121128236.db2.gz OUFWMYIGOUUCGP-HNNXBMFYSA-N 0 1 285.366 3.526 20 0 CHADMN CCc1cnc(CNc2cc3c(cn2)CCCC3)s1 ZINC000359471337 1121129540 /nfs/dbraw/zinc/12/95/40/1121129540.db2.gz YTALDFOAIIEECP-UHFFFAOYSA-N 0 1 273.405 3.591 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1CCCCC[C@@H]1C ZINC000512163711 1121130989 /nfs/dbraw/zinc/13/09/89/1121130989.db2.gz JUAYJPNRSQRRDW-ZDUSSCGKSA-N 0 1 294.826 3.851 20 0 CHADMN CC(C)n1ccc(CN(C)CCCCc2ccccc2)n1 ZINC000172012280 1121136545 /nfs/dbraw/zinc/13/65/45/1121136545.db2.gz FOFVYBYXIKPVFX-UHFFFAOYSA-N 0 1 285.435 3.919 20 0 CHADMN COc1ccc(CN[C@H]2CCc3ccc(Cl)nc32)cc1 ZINC000779514542 1128965213 /nfs/dbraw/zinc/96/52/13/1128965213.db2.gz DSEAONQZBFSPQQ-AWEZNQCLSA-N 0 1 288.778 3.521 20 0 CHADMN Cc1ccccc1-c1noc(CN(C)[C@H](C)C2(C)CC2)n1 ZINC000674506266 1121139762 /nfs/dbraw/zinc/13/97/62/1121139762.db2.gz DTEJJOUYYRLMOH-CYBMUJFWSA-N 0 1 285.391 3.665 20 0 CHADMN C[C@@H]([N@@H+](C)Cc1ccn(-c2cccc(F)c2)n1)C1(C)CC1 ZINC000674505940 1121142183 /nfs/dbraw/zinc/14/21/83/1121142183.db2.gz BUOPVEFGUNFQHO-CYBMUJFWSA-N 0 1 287.382 3.632 20 0 CHADMN C[C@@H](N(C)Cc1ccn(-c2cccc(F)c2)n1)C1(C)CC1 ZINC000674505940 1121142186 /nfs/dbraw/zinc/14/21/86/1121142186.db2.gz BUOPVEFGUNFQHO-CYBMUJFWSA-N 0 1 287.382 3.632 20 0 CHADMN Cn1ccnc1Nc1ccc(-c2ccccc2)cc1F ZINC001175061807 1121146011 /nfs/dbraw/zinc/14/60/11/1121146011.db2.gz RUDGVVFEZYVLMH-UHFFFAOYSA-N 0 1 267.307 3.970 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H](C)c1ccccc1C ZINC000187073891 1121155464 /nfs/dbraw/zinc/15/54/64/1121155464.db2.gz FHGIGAPLBMTCNN-UONOGXRCSA-N 0 1 270.376 3.810 20 0 CHADMN c1c2ccccc2sc1CN1CCOC2(CCC2)C1 ZINC000093640070 1128966396 /nfs/dbraw/zinc/96/63/96/1128966396.db2.gz JOZAHHWXONZOHW-UHFFFAOYSA-N 0 1 273.401 3.656 20 0 CHADMN OCC[C@H](NCc1sccc1Cl)c1cccs1 ZINC000785473337 1121159015 /nfs/dbraw/zinc/15/90/15/1121159015.db2.gz DNBQTCOSQRSQID-JTQLQIEISA-N 0 1 287.837 3.676 20 0 CHADMN Cc1cccc([C@H](C)NCc2cccnc2N2CCCC2)c1 ZINC000658100886 1121161575 /nfs/dbraw/zinc/16/15/75/1121161575.db2.gz LUNQSUUCVSYENJ-INIZCTEOSA-N 0 1 295.430 3.841 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1ccc2cnccc2c1 ZINC000235501514 1121166148 /nfs/dbraw/zinc/16/61/48/1121166148.db2.gz JOSCYXMTLFWGTH-NSHDSACASA-N 0 1 281.359 3.690 20 0 CHADMN c1c2ccccc2sc1CN1CCOC[C@@H]1C1CC1 ZINC000093645342 1128967182 /nfs/dbraw/zinc/96/71/82/1128967182.db2.gz DNGZQICFRBMIKU-OAHLLOKOSA-N 0 1 273.401 3.512 20 0 CHADMN Cc1cc(CN2CCC[C@@H](CCF)C2)cc(Cl)n1 ZINC000701862320 1121173079 /nfs/dbraw/zinc/17/30/79/1121173079.db2.gz MKCPDDLZTXLFOW-LBPRGKRZSA-N 0 1 270.779 3.615 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc3ncsc3c2)o1 ZINC000893690393 1121178322 /nfs/dbraw/zinc/17/83/22/1121178322.db2.gz QAADNWLJUHHUET-JTQLQIEISA-N 0 1 288.372 3.749 20 0 CHADMN CC[C@@H]1CCCN(Cc2cnc(Cl)s2)CC1 ZINC000086776944 1121181971 /nfs/dbraw/zinc/18/19/71/1121181971.db2.gz GGRCGWDOCINKNJ-SNVBAGLBSA-N 0 1 258.818 3.809 20 0 CHADMN Cc1ccccc1[C@@H](CC(C)C)NCc1ccn(C)n1 ZINC000344426032 1121185277 /nfs/dbraw/zinc/18/52/77/1121185277.db2.gz IMMVPYRCOLGSOD-QGZVFWFLSA-N 0 1 271.408 3.606 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H](CCO)c2ccccc2)o1 ZINC000344435274 1121187158 /nfs/dbraw/zinc/18/71/58/1121187158.db2.gz CJTVYHRMIACHFO-COXVUDFISA-N 0 1 285.387 3.616 20 0 CHADMN CCOc1ccc(CN(Cc2cccs2)C(C)C)nc1 ZINC000674861633 1121188740 /nfs/dbraw/zinc/18/87/40/1121188740.db2.gz YHQQIQUXHVEQKT-UHFFFAOYSA-N 0 1 290.432 3.952 20 0 CHADMN Cc1cccc2nc(CNc3cc(C(C)(C)C)ncn3)[nH]c21 ZINC000663760074 1121197132 /nfs/dbraw/zinc/19/71/32/1121197132.db2.gz RJFRTHPRAZYKOQ-UHFFFAOYSA-N 0 1 295.390 3.571 20 0 CHADMN CCOc1cc(Nc2c(C)ncn2C)cc(C(F)(F)F)c1 ZINC001175139847 1121198202 /nfs/dbraw/zinc/19/82/02/1121198202.db2.gz RRPWGZWCWVCZBI-UHFFFAOYSA-N 0 1 299.296 3.890 20 0 CHADMN Cc1nc2ccc(NC(=O)c3ccc(F)c(C)c3)cc2[nH]1 ZINC000063060734 1121198278 /nfs/dbraw/zinc/19/82/78/1121198278.db2.gz GWWIOWARHLOGOD-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Fc1ccc(Cl)c(CN2CCOC[C@H](C3CCC3)C2)c1 ZINC000429242531 1121203737 /nfs/dbraw/zinc/20/37/37/1121203737.db2.gz VFJXFXUJBDCXRZ-CQSZACIVSA-N 0 1 297.801 3.728 20 0 CHADMN C[C@H](C(=O)Nc1cccc(Cl)c1O)c1cccc(F)c1 ZINC000173473536 1121206075 /nfs/dbraw/zinc/20/60/75/1121206075.db2.gz MZEDYXOKJKMGDN-VIFPVBQESA-N 0 1 293.725 3.927 20 0 CHADMN C[C@H](Cc1ccco1)NCc1csc(C(C)(C)C)n1 ZINC000067185914 1121206627 /nfs/dbraw/zinc/20/66/27/1121206627.db2.gz FGQLAXLIJXRXTJ-LLVKDONJSA-N 0 1 278.421 3.754 20 0 CHADMN Fc1cc(Nc2nnc(-c3ccco3)o2)ccc1Cl ZINC001175204755 1121207310 /nfs/dbraw/zinc/20/73/10/1121207310.db2.gz UJYGXTQCULYNQU-UHFFFAOYSA-N 0 1 279.658 3.866 20 0 CHADMN Fc1ccc([C@@H]2c3[nH]cnc3CCN2CC2CCCC2)cc1 ZINC001175164528 1121211849 /nfs/dbraw/zinc/21/18/49/1121211849.db2.gz LVEMATNFBLKDMP-GOSISDBHSA-N 0 1 299.393 3.687 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(F)c(F)c1F ZINC000630793364 1128970227 /nfs/dbraw/zinc/97/02/27/1128970227.db2.gz OJSWGJHXQFBXMX-UHFFFAOYSA-N 0 1 297.280 3.511 20 0 CHADMN CCOCc1ccccc1CN[C@H](C)c1cncc(F)c1 ZINC000122663274 1121217815 /nfs/dbraw/zinc/21/78/15/1121217815.db2.gz RRCCKHMBRBHCIV-CYBMUJFWSA-N 0 1 288.366 3.608 20 0 CHADMN C[C@@H](N[C@@H](C)c1csc(Cl)c1)c1cn[nH]c1 ZINC000230411073 1121220686 /nfs/dbraw/zinc/22/06/86/1121220686.db2.gz BHKAUPVLWWYCML-JGVFFNPUSA-N 0 1 255.774 3.536 20 0 CHADMN Clc1ccc(C[N@H+]2CCC[C@@H](C3CCC3)C2)cn1 ZINC000703152692 1121232761 /nfs/dbraw/zinc/23/27/61/1121232761.db2.gz YEJJLTWFVSETCF-CQSZACIVSA-N 0 1 264.800 3.747 20 0 CHADMN Cc1ncc(CN[C@@H](c2ccccc2Cl)C(C)C)cn1 ZINC000351734935 1121234768 /nfs/dbraw/zinc/23/47/68/1121234768.db2.gz LERYFCKSDPSFKB-MRXNPFEDSA-N 0 1 289.810 3.925 20 0 CHADMN COCCC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1OC ZINC000512272422 1121242719 /nfs/dbraw/zinc/24/27/19/1121242719.db2.gz YPZBGHFVVLXKCT-UHFFFAOYSA-N 0 1 299.414 3.831 20 0 CHADMN CCS[C@@H]1CCCCN([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000112088262 1121250822 /nfs/dbraw/zinc/25/08/22/1121250822.db2.gz MSDRKFVWADDCBE-WCQYABFASA-N 0 1 295.452 3.616 20 0 CHADMN Cc1ncc(CNC2(c3ccc(Cl)cc3)CC2)s1 ZINC000112204074 1121252423 /nfs/dbraw/zinc/25/24/23/1121252423.db2.gz LIWMDWSBNDWHJS-UHFFFAOYSA-N 0 1 278.808 3.884 20 0 CHADMN COc1cc(Cl)ccc1CN[C@@H](C)c1cccnc1 ZINC000112545861 1121256617 /nfs/dbraw/zinc/25/66/17/1121256617.db2.gz DGQSQOXQKHHMGT-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN C[C@H]1SCCN(Cc2ccccc2Cl)[C@H]1C ZINC000112643958 1121258859 /nfs/dbraw/zinc/25/88/59/1121258859.db2.gz WRCPFMHSNUKWEP-WDEREUQCSA-N 0 1 255.814 3.666 20 0 CHADMN C(=C\C1CC1)\CNCc1csc(-c2ccsc2)n1 ZINC001343893588 1121260698 /nfs/dbraw/zinc/26/06/98/1121260698.db2.gz BZOQOISBZSXRGL-UPHRSURJSA-N 0 1 276.430 3.927 20 0 CHADMN Cc1ccncc1CN[C@@H](C)c1cc2ccccc2o1 ZINC000123233278 1121262793 /nfs/dbraw/zinc/26/27/93/1121262793.db2.gz GUZMJPQVQCIMSN-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN C[C@H](NC1(c2ccc(F)cc2)CC1)c1cccc2c1OCO2 ZINC000925845732 1121263090 /nfs/dbraw/zinc/26/30/90/1121263090.db2.gz IITGSNHVWPNLLB-LBPRGKRZSA-N 0 1 299.345 3.894 20 0 CHADMN CC(C)NCc1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000232691788 1121267561 /nfs/dbraw/zinc/26/75/61/1121267561.db2.gz XJZSEFVHVYFTQN-UHFFFAOYSA-N 0 1 286.162 3.541 20 0 CHADMN COC(=O)c1cc(CN(C)[C@@H](C)c2ccccc2)c(C)o1 ZINC000143143698 1121269560 /nfs/dbraw/zinc/26/95/60/1121269560.db2.gz ZARXVLQVZJYZOO-LBPRGKRZSA-N 0 1 287.359 3.568 20 0 CHADMN COC(=O)c1cc(CN2CCC[C@H]2c2ccccc2)c(C)o1 ZINC000143230350 1121272837 /nfs/dbraw/zinc/27/28/37/1121272837.db2.gz GMAPGCXEUUEYSE-INIZCTEOSA-N 0 1 299.370 3.712 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCCN1Cc1c(F)cccc1Cl ZINC000123843159 1121275189 /nfs/dbraw/zinc/27/51/89/1121275189.db2.gz JGCKMTIHVXSTOL-NEPJUHHUSA-N 0 1 285.790 3.605 20 0 CHADMN Cc1cc(F)ccc1NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000007775426 1121277475 /nfs/dbraw/zinc/27/74/75/1121277475.db2.gz UZVVYAFSNOCNCO-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN Cc1cc(C)[nH+]c(Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175314657 1121279453 /nfs/dbraw/zinc/27/94/53/1121279453.db2.gz WPXGOJFQHMDQIE-UHFFFAOYSA-N 0 1 276.723 3.794 20 0 CHADMN CCS[C@@H]1CC[C@@H](N(C)Cc2noc3c2CCCC3)C1 ZINC000174353212 1121281888 /nfs/dbraw/zinc/28/18/88/1121281888.db2.gz IWZQMZRNRODIKC-CHWSQXEVSA-N 0 1 294.464 3.659 20 0 CHADMN COc1cccc(C2(N[C@H](C)c3cncs3)CCC2)c1 ZINC000658324194 1121303827 /nfs/dbraw/zinc/30/38/27/1121303827.db2.gz ZRAWZYJKHIYPJK-GFCCVEGCSA-N 0 1 288.416 3.882 20 0 CHADMN CCCOc1ccc([C@H](C)NCc2ccco2)cc1 ZINC000021967753 1121306100 /nfs/dbraw/zinc/30/61/00/1121306100.db2.gz SILIOPHQFNLFRV-ZDUSSCGKSA-N 0 1 259.349 3.919 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1cccs1)c1cc(F)ccc1F ZINC000766138882 1121308681 /nfs/dbraw/zinc/30/86/81/1121308681.db2.gz ZOQWQLSODJKKKA-YGRLFVJLSA-N 0 1 297.370 3.801 20 0 CHADMN CC[C@H](NCc1scnc1C1CC1)c1c(C)noc1C ZINC000562328834 1121315704 /nfs/dbraw/zinc/31/57/04/1121315704.db2.gz BWRFVXUCSZXDHO-LBPRGKRZSA-N 0 1 291.420 3.866 20 0 CHADMN CC1(C)C[C@H](O)CN(Cc2c(Cl)oc3ccccc32)C1 ZINC001175411554 1121318236 /nfs/dbraw/zinc/31/82/36/1121318236.db2.gz SLPYFTONERMYMH-NSHDSACASA-N 0 1 293.794 3.679 20 0 CHADMN COc1ccccc1[C@H]1CN([C@@H](C)CC(C)C)CCO1 ZINC001175426200 1121320565 /nfs/dbraw/zinc/32/05/65/1121320565.db2.gz GUANQYGHCSDSMR-WMLDXEAASA-N 0 1 277.408 3.503 20 0 CHADMN Cc1cc2cc(N)ccc2n1-c1ccc2n[nH]cc2c1C ZINC001175465624 1121329228 /nfs/dbraw/zinc/32/92/28/1121329228.db2.gz IONYQXNAJTVSBB-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN Cc1ccc2cc(CN[C@@H](C)c3ccccn3)ccc2n1 ZINC000097861308 1121331132 /nfs/dbraw/zinc/33/11/32/1121331132.db2.gz JYLRARXYIBROBI-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN Cc1ccc(CNCc2ccccc2N(C)C(C)C)cn1 ZINC000438344907 1121332109 /nfs/dbraw/zinc/33/21/09/1121332109.db2.gz JVBTURXESJNNPY-UHFFFAOYSA-N 0 1 283.419 3.524 20 0 CHADMN C[C@H]1CC[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2F)C1 ZINC000429581785 1121340593 /nfs/dbraw/zinc/34/05/93/1121340593.db2.gz WPMZALJPJNNSIU-CMPLNLGQSA-N 0 1 298.789 3.538 20 0 CHADMN Fc1ccc(-c2cc(Nc3cncs3)on2)cc1F ZINC001175495546 1121342795 /nfs/dbraw/zinc/34/27/95/1121342795.db2.gz JJJXUVNDOQWMFX-UHFFFAOYSA-N 0 1 279.271 3.820 20 0 CHADMN COc1ncc(CN2CCCC[C@H]2c2ccccc2)s1 ZINC001139815110 1121343351 /nfs/dbraw/zinc/34/33/51/1121343351.db2.gz WFVWNBXVSNLKCS-HNNXBMFYSA-N 0 1 288.416 3.879 20 0 CHADMN CCC[C@H](NCc1n[nH]c(C(C)(C)C)n1)c1ccccc1 ZINC000432779651 1121345622 /nfs/dbraw/zinc/34/56/22/1121345622.db2.gz IEBAIOHAXDYKJU-AWEZNQCLSA-N 0 1 286.423 3.733 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)o1 ZINC000675730719 1121349948 /nfs/dbraw/zinc/34/99/48/1121349948.db2.gz ZCBHVJRSAZHLGN-STQMWFEESA-N 0 1 298.386 3.885 20 0 CHADMN CCCc1csc(C[N@H+]2CC3(CCC3)C[C@H]2C)n1 ZINC000432789271 1121352518 /nfs/dbraw/zinc/35/25/18/1121352518.db2.gz QTPZPAFQRCQFOU-GFCCVEGCSA-N 0 1 264.438 3.860 20 0 CHADMN CCCc1csc(CN2CC3(CCC3)C[C@H]2C)n1 ZINC000432789271 1121352527 /nfs/dbraw/zinc/35/25/27/1121352527.db2.gz QTPZPAFQRCQFOU-GFCCVEGCSA-N 0 1 264.438 3.860 20 0 CHADMN CO[C@H]1CCN(Cc2cscc2C(F)(F)F)[C@@H](C)C1 ZINC000356299944 1121355412 /nfs/dbraw/zinc/35/54/12/1121355412.db2.gz IEZRTLQWPVCTIE-ONGXEEELSA-N 0 1 293.354 3.766 20 0 CHADMN C[C@@H](N[C@H]1CSCc2ccccc21)c1cncs1 ZINC000675782501 1121360848 /nfs/dbraw/zinc/36/08/48/1121360848.db2.gz HHOJMOHZZZPCFT-MFKMUULPSA-N 0 1 276.430 3.782 20 0 CHADMN CC(=O)c1ccsc1Nc1c2cn[nH]c2ccc1C ZINC001175523422 1121363148 /nfs/dbraw/zinc/36/31/48/1121363148.db2.gz FYNXGPVJQKFKKX-UHFFFAOYSA-N 0 1 271.345 3.879 20 0 CHADMN COc1cccc(Nc2c3cn[nH]c3ccc2C)c1F ZINC001175526318 1121364825 /nfs/dbraw/zinc/36/48/25/1121364825.db2.gz LBSRLMVTWPLTOK-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc([C@@H](C)O)cc1 ZINC001175525427 1121365286 /nfs/dbraw/zinc/36/52/86/1121365286.db2.gz BKSDYCDQOQLIED-LLVKDONJSA-N 0 1 267.332 3.668 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(C2OCCO2)cc1 ZINC001175525892 1121365790 /nfs/dbraw/zinc/36/57/90/1121365790.db2.gz JPWBQXIMWJWFDD-UHFFFAOYSA-N 0 1 295.342 3.660 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2c1OCC2 ZINC001175525839 1121366048 /nfs/dbraw/zinc/36/60/48/1121366048.db2.gz HUAUWCIWAXBIFE-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN CC(C)CC[N@@H+](Cc1csc(N(C)C2CC2)n1)C1CC1 ZINC000469737813 1121366430 /nfs/dbraw/zinc/36/64/30/1121366430.db2.gz QJIBRMCTYIUBEO-UHFFFAOYSA-N 0 1 293.480 3.752 20 0 CHADMN CC(C)CCN(Cc1csc(N(C)C2CC2)n1)C1CC1 ZINC000469737813 1121366439 /nfs/dbraw/zinc/36/64/39/1121366439.db2.gz QJIBRMCTYIUBEO-UHFFFAOYSA-N 0 1 293.480 3.752 20 0 CHADMN COc1ccc(CN[C@@H]2CCc3ccc(C(C)C)cc32)nc1 ZINC000893716853 1121366828 /nfs/dbraw/zinc/36/68/28/1121366828.db2.gz LGSTXGRCACLVJM-LJQANCHMSA-N 0 1 296.414 3.991 20 0 CHADMN COc1ccccc1Nc1c2cn[nH]c2ccc1C ZINC001175526043 1121367359 /nfs/dbraw/zinc/36/73/59/1121367359.db2.gz NHFXWEFQSQXTBE-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cc1ccc2[nH]ncc2c1N1CCCc2cc(N)ccc21 ZINC001175527069 1121367427 /nfs/dbraw/zinc/36/74/27/1121367427.db2.gz DHKGSMNHLBFDKN-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN COc1cc(C(C)=O)ccc1Nc1c2cn[nH]c2ccc1C ZINC001175526889 1121369470 /nfs/dbraw/zinc/36/94/70/1121369470.db2.gz ZRXZMCCWBMWCTH-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN CC(=O)Oc1ccc(Nc2c3cn[nH]c3ccc2C)cc1 ZINC001175527384 1121370870 /nfs/dbraw/zinc/37/08/70/1121370870.db2.gz KNTMFZVCRGMRMB-UHFFFAOYSA-N 0 1 281.315 3.540 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc(N(C)C)c1 ZINC001175527819 1121371373 /nfs/dbraw/zinc/37/13/73/1121371373.db2.gz XCZMPBMYMJESDM-UHFFFAOYSA-N 0 1 266.348 3.681 20 0 CHADMN Cc1nc(CN2CCC[C@H]2COC(C)(C)C)sc1C ZINC000932168109 1121372272 /nfs/dbraw/zinc/37/22/72/1121372272.db2.gz GDKRMCGBHLWWEF-ZDUSSCGKSA-N 0 1 282.453 3.539 20 0 CHADMN CN1CCC=C(Nc2cc(F)c(OC3CCC3)c(F)c2)C1 ZINC001175583013 1121373599 /nfs/dbraw/zinc/37/35/99/1121373599.db2.gz VZVVJBIDAWKYOZ-UHFFFAOYSA-N 0 1 294.345 3.527 20 0 CHADMN CCOc1ccc(Cl)cc1[C@H](C)NCc1cc(C)n[nH]1 ZINC000675891958 1121375690 /nfs/dbraw/zinc/37/56/90/1121375690.db2.gz GWBKQCWUPPYDBI-NSHDSACASA-N 0 1 293.798 3.621 20 0 CHADMN Cc1ccc(Cl)c(N[C@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000675925045 1121382993 /nfs/dbraw/zinc/38/29/93/1121382993.db2.gz GOXAMBAMYYCOHL-HNNXBMFYSA-N 0 1 298.777 3.968 20 0 CHADMN Fc1ccc(C2(NCc3ccc(C(F)F)nc3)CC2)cc1 ZINC000631065754 1128981948 /nfs/dbraw/zinc/98/19/48/1128981948.db2.gz PFNAMYCJEHWKPU-UHFFFAOYSA-N 0 1 292.304 3.937 20 0 CHADMN Cc1ccc(C)c(N2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000675902009 1121386453 /nfs/dbraw/zinc/38/64/53/1121386453.db2.gz VGYNLVNCXMHVGJ-KRWDZBQOSA-N 0 1 295.430 3.582 20 0 CHADMN Fc1cc(C[N@@H+](Cc2ccccc2)C2CCC2)ccn1 ZINC001139835360 1121387045 /nfs/dbraw/zinc/38/70/45/1121387045.db2.gz URNIJOAWUYCVHG-UHFFFAOYSA-N 0 1 270.351 3.775 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)C[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429587970 1121389570 /nfs/dbraw/zinc/38/95/70/1121389570.db2.gz FWMYUPFDEHQGFI-OCCSQVGLSA-N 0 1 284.403 3.779 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN(C)[C@H]1CC[C@@H](C)C1 ZINC000429587970 1121389575 /nfs/dbraw/zinc/38/95/75/1121389575.db2.gz FWMYUPFDEHQGFI-OCCSQVGLSA-N 0 1 284.403 3.779 20 0 CHADMN C[C@@H]1CC[C@H]([N@@H+](C)Cc2csc(C3CC3)n2)C1 ZINC000429587946 1121389598 /nfs/dbraw/zinc/38/95/98/1121389598.db2.gz FWJWUQFONUBRGM-MFKMUULPSA-N 0 1 250.411 3.641 20 0 CHADMN C[C@@H]1CC[C@H](N(C)Cc2csc(C3CC3)n2)C1 ZINC000429587946 1121389603 /nfs/dbraw/zinc/38/96/03/1121389603.db2.gz FWJWUQFONUBRGM-MFKMUULPSA-N 0 1 250.411 3.641 20 0 CHADMN Cc1nc(NC=CC(C)(C)C)cnc1Br ZINC001175569518 1121391313 /nfs/dbraw/zinc/39/13/13/1121391313.db2.gz UVXFUOHRMZBLEI-AATRIKPKSA-N 0 1 270.174 3.519 20 0 CHADMN CO[C@H](C)c1nc(CN[C@@H](C)Cc2cccs2)cs1 ZINC000675930238 1121392654 /nfs/dbraw/zinc/39/26/54/1121392654.db2.gz PQXWANYDMGHMFE-WDEREUQCSA-N 0 1 296.461 3.633 20 0 CHADMN COc1ccc(Br)c(CN2CCCC[C@H]2C)c1 ZINC000087797751 1121392819 /nfs/dbraw/zinc/39/28/19/1121392819.db2.gz ULZILZSFIMVPOR-LLVKDONJSA-N 0 1 298.224 3.832 20 0 CHADMN Cc1ccc(CN[C@H](CCCO)c2ccccc2)c(F)c1 ZINC000631077021 1128982529 /nfs/dbraw/zinc/98/25/29/1128982529.db2.gz BSBQBINOWOEFLI-GOSISDBHSA-N 0 1 287.378 3.738 20 0 CHADMN CN1CCC=C(Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC001175578130 1121395850 /nfs/dbraw/zinc/39/58/50/1121395850.db2.gz DCRORSZRKDAESE-UHFFFAOYSA-N 0 1 275.154 3.764 20 0 CHADMN c1c2ccccc2[nH]c1C[N@H+]1CCc2ccccc2C1 ZINC000000019204 1121397214 /nfs/dbraw/zinc/39/72/14/1121397214.db2.gz BQNOVMRRQZHQMP-UHFFFAOYSA-N 0 1 262.356 3.726 20 0 CHADMN c1c2ccccc2[nH]c1CN1CCc2ccccc2C1 ZINC000000019204 1121397222 /nfs/dbraw/zinc/39/72/22/1121397222.db2.gz BQNOVMRRQZHQMP-UHFFFAOYSA-N 0 1 262.356 3.726 20 0 CHADMN CCOCCN(C)Cc1ccccc1OCc1ccccc1 ZINC000500792599 1121401525 /nfs/dbraw/zinc/40/15/25/1121401525.db2.gz LZESOXTXKOEOHK-UHFFFAOYSA-N 0 1 299.414 3.734 20 0 CHADMN C[C@@H]1CCC[C@@H](N[C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000345051899 1121411808 /nfs/dbraw/zinc/41/18/08/1121411808.db2.gz AMGSKNBBMLENDH-DAXOMENPSA-N 0 1 287.382 3.807 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cnc4ccc(O)cc4c3)cc12 ZINC001175693713 1121415297 /nfs/dbraw/zinc/41/52/97/1121415297.db2.gz ITAGLOFOKVMHHS-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN COc1ccc(Nc2ccc3n[nH]c(C)c3c2)c(F)c1 ZINC001175699285 1121415984 /nfs/dbraw/zinc/41/59/84/1121415984.db2.gz LFNZVNLCQQUUIM-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN CC(=O)Nc1ccc(Nc2ccc3n[nH]c(C)c3c2)cc1 ZINC001175699150 1121416060 /nfs/dbraw/zinc/41/60/60/1121416060.db2.gz JKNMNDQXLCDPOX-UHFFFAOYSA-N 0 1 280.331 3.573 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4c(c3)OCCCO4)cc21 ZINC001175699364 1121416194 /nfs/dbraw/zinc/41/61/94/1121416194.db2.gz OMUVDXIZWUKMLJ-UHFFFAOYSA-N 0 1 295.342 3.776 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ncccc3C3CC3)cc21 ZINC001175699939 1121417874 /nfs/dbraw/zinc/41/78/74/1121417874.db2.gz XLORLZUANYABAI-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN COc1ccc(F)cc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175699740 1121417956 /nfs/dbraw/zinc/41/79/56/1121417956.db2.gz COIQHSDYGXNGGU-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(N)ccc3C)cc12 ZINC001175700341 1121418004 /nfs/dbraw/zinc/41/80/04/1121418004.db2.gz KHELSKIYIORUKI-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN CCn1cc2cc(Nc3ccc4n[nH]c(C)c4c3)ccc2n1 ZINC001175700586 1121418157 /nfs/dbraw/zinc/41/81/57/1121418157.db2.gz PCHANXZRSTWDMS-UHFFFAOYSA-N 0 1 291.358 3.985 20 0 CHADMN Cc1[nH]nc2ccc(Nc3c(N)ccc(F)c3C)cc12 ZINC001175701930 1121419876 /nfs/dbraw/zinc/41/98/76/1121419876.db2.gz JYAMSVYOEVKQJK-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN Cc1[nH]nc2cc(Nc3nc(C)ccc3C)ccc21 ZINC001175656871 1121422304 /nfs/dbraw/zinc/42/23/04/1121422304.db2.gz KQGVAUMPARATEF-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN c1ccc2c(c1)n[nH]c2CNc1cccc2ncccc21 ZINC000676316781 1121422514 /nfs/dbraw/zinc/42/25/14/1121422514.db2.gz ZBBIGVAEWKBTPU-UHFFFAOYSA-N 0 1 274.327 3.723 20 0 CHADMN Cc1[nH]nc2cc(Nc3ncccc3Cl)ccc12 ZINC001175657250 1121422878 /nfs/dbraw/zinc/42/28/78/1121422878.db2.gz RQCXRLDIDROPOG-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN CCOc1cc(C)ccc1NCc1ccc2nc[nH]c2c1 ZINC000676318895 1121422908 /nfs/dbraw/zinc/42/29/08/1121422908.db2.gz WXWAUFVITXFBMD-UHFFFAOYSA-N 0 1 281.359 3.882 20 0 CHADMN Cc1[nH]nc2cc(Nc3cnc4ccccc4n3)ccc21 ZINC001175657517 1121423223 /nfs/dbraw/zinc/42/32/23/1121423223.db2.gz UOZFVDAADUHZIB-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(Cl)nnc3Cl)ccc12 ZINC001175660007 1121424154 /nfs/dbraw/zinc/42/41/54/1121424154.db2.gz SOXRNGAMSIKJOM-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1[nH]nc2cc(Nc3cnnc(Cl)c3Cl)ccc12 ZINC001175660513 1121424837 /nfs/dbraw/zinc/42/48/37/1121424837.db2.gz QJKPQHHHUDLGOM-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN COc1cccc(OC)c1Nc1ccc2c(c1)n[nH]c2C ZINC001175661550 1121425003 /nfs/dbraw/zinc/42/50/03/1121425003.db2.gz MNAKRZLUQYPNEX-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN Cc1[nH]nc2cc(N3c4ccc(N)cc4CC[C@H]3C)ccc12 ZINC001175661368 1121425013 /nfs/dbraw/zinc/42/50/13/1121425013.db2.gz IJLWAQHNEGSZLA-LLVKDONJSA-N 0 1 292.386 3.926 20 0 CHADMN COc1cc(Nc2ccc3c(C)[nH]nc3c2)ccc1F ZINC001175661779 1121425711 /nfs/dbraw/zinc/42/57/11/1121425711.db2.gz RFWFFEJYSHZGEL-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN COC(=O)c1c(F)cccc1Nc1ccc2c(C)[nH]nc2c1 ZINC001175662606 1121426187 /nfs/dbraw/zinc/42/61/87/1121426187.db2.gz ULRUTLPPGBSTKU-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN COc1c(F)cccc1CN(Cc1ccccc1)C1CC1 ZINC001143536742 1121426280 /nfs/dbraw/zinc/42/62/80/1121426280.db2.gz GZIGLHCLVYQBTA-UHFFFAOYSA-N 0 1 285.362 3.999 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4c(c3)nn(C)c4C)ccc21 ZINC001175662557 1121426322 /nfs/dbraw/zinc/42/63/22/1121426322.db2.gz RQTBKHVWQPNCQS-UHFFFAOYSA-N 0 1 291.358 3.810 20 0 CHADMN COC(=O)c1cc(Nc2ccc3c(C)[nH]nc3c2)ccc1C ZINC001175662527 1121426382 /nfs/dbraw/zinc/42/63/82/1121426382.db2.gz QLPLAGFTTCASII-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(Cl)cc(CO)c3)ccc12 ZINC001175662978 1121427234 /nfs/dbraw/zinc/42/72/34/1121427234.db2.gz MPGPPOYOVVQFET-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(Cl)ccc3CO)ccc12 ZINC001175663306 1121427468 /nfs/dbraw/zinc/42/74/68/1121427468.db2.gz XHSVEDFLDREXDX-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc(Cl)c3CO)ccc12 ZINC001175663028 1121427629 /nfs/dbraw/zinc/42/76/29/1121427629.db2.gz ORWYUTNPDGLAKJ-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1[nH]nc2cc(Nc3c(C)cccc3N)ccc12 ZINC001175662755 1121428245 /nfs/dbraw/zinc/42/82/45/1121428245.db2.gz YZMPVCVGVJTQBU-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@H](C)c2nc(C)sc2C)C12CCC2 ZINC000676493111 1121436297 /nfs/dbraw/zinc/43/62/97/1121436297.db2.gz RSAZEUHNUUUTSA-LERXQTSPSA-N 0 1 294.464 3.758 20 0 CHADMN COc1ccccc1[C@H](C)NCc1ccnn1CC1CCC1 ZINC000631034619 1128980323 /nfs/dbraw/zinc/98/03/23/1128980323.db2.gz PDOMDVRRKBKNGI-AWEZNQCLSA-N 0 1 299.418 3.543 20 0 CHADMN Cc1ncoc1CN(C)[C@@H](C)c1ccc(C)cc1C ZINC000893931591 1121440772 /nfs/dbraw/zinc/44/07/72/1121440772.db2.gz IWELWQGJLPUBLR-AWEZNQCLSA-N 0 1 258.365 3.793 20 0 CHADMN C[C@@H](NCc1cnc(C(C)(C)C)nc1)c1ccsc1 ZINC000311455247 1121442185 /nfs/dbraw/zinc/44/21/85/1121442185.db2.gz MRQUVSPQRBGQAI-LLVKDONJSA-N 0 1 275.421 3.686 20 0 CHADMN COc1cccc([C@@H](C)N(C)Cc2ccc(C)cn2)c1 ZINC000676557339 1121443250 /nfs/dbraw/zinc/44/32/50/1121443250.db2.gz SDBSBGLSWFVDLS-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN Cc1n[nH]c(CN(Cc2cccc(F)c2)C(C)C)c1C ZINC000893944027 1121443402 /nfs/dbraw/zinc/44/34/02/1121443402.db2.gz MVSZOWSNBWJUIX-UHFFFAOYSA-N 0 1 275.371 3.576 20 0 CHADMN Cc1[nH]nc(CN(Cc2cccc(F)c2)C(C)C)c1C ZINC000893944027 1121443406 /nfs/dbraw/zinc/44/34/06/1121443406.db2.gz MVSZOWSNBWJUIX-UHFFFAOYSA-N 0 1 275.371 3.576 20 0 CHADMN Cc1[nH]nc(CN2CCC[C@@H]2c2cccc(F)c2)c1C ZINC000893944114 1121445188 /nfs/dbraw/zinc/44/51/88/1121445188.db2.gz QWVAJMHISSTEIP-MRXNPFEDSA-N 0 1 273.355 3.503 20 0 CHADMN CCN(Cc1[nH]nc(C)c1C)[C@H](C)c1cccc(OC)c1 ZINC000893953209 1121446946 /nfs/dbraw/zinc/44/69/46/1121446946.db2.gz ZJGWKPALZCCJCZ-CQSZACIVSA-N 0 1 287.407 3.618 20 0 CHADMN CC(C)(F)CNCc1cnc(C2CCCC2)s1 ZINC000631189798 1128990440 /nfs/dbraw/zinc/99/04/40/1128990440.db2.gz TVOWDSKBQFSUAN-UHFFFAOYSA-N 0 1 256.390 3.638 20 0 CHADMN CSCc1ccc(CN(C)Cc2ccc(C)cn2)cc1 ZINC000893965685 1121448414 /nfs/dbraw/zinc/44/84/14/1121448414.db2.gz WJHXIYXXPVLKJX-UHFFFAOYSA-N 0 1 286.444 3.885 20 0 CHADMN CCCn1nc(C)cc1Nc1cc(C)nc2ccccc21 ZINC001175798371 1121451256 /nfs/dbraw/zinc/45/12/56/1121451256.db2.gz BKYSFOFVJAWTRS-UHFFFAOYSA-N 0 1 280.375 3.624 20 0 CHADMN Cc1cc(Nc2cscc2C)n(-c2ccncc2)n1 ZINC001175764706 1121457207 /nfs/dbraw/zinc/45/72/07/1121457207.db2.gz OGSBPIUBVWIQPU-UHFFFAOYSA-N 0 1 270.361 3.689 20 0 CHADMN C[C@@H](COc1ccccc1)NCc1csc(C2CC2)n1 ZINC000708200789 1121463382 /nfs/dbraw/zinc/46/33/82/1121463382.db2.gz TXEDFYBZMADRAG-LBPRGKRZSA-N 0 1 288.416 3.578 20 0 CHADMN Fc1ccc(OC(F)(F)F)cc1CN1CC2CC(C2)C1 ZINC001143551168 1121464896 /nfs/dbraw/zinc/46/48/96/1121464896.db2.gz QXJFBRJTIOZVND-UHFFFAOYSA-N 0 1 289.272 3.566 20 0 CHADMN Cc1[nH]nc(CN2CC[C@H](C)C[C@H]2c2ccco2)c1C ZINC000894075188 1121466288 /nfs/dbraw/zinc/46/62/88/1121466288.db2.gz CNDCZTINTUAXJW-NHYWBVRUSA-N 0 1 273.380 3.593 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2ocnc2C)o1 ZINC000894086224 1121466660 /nfs/dbraw/zinc/46/66/60/1121466660.db2.gz ZLJWMADMXZPONH-RISCZKNCSA-N 0 1 274.364 3.858 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2cc3n(n2)CCCC3)c(C)c1 ZINC000647286229 1121469715 /nfs/dbraw/zinc/46/97/15/1121469715.db2.gz FHVDWUNBRDIMIX-MRXNPFEDSA-N 0 1 297.446 3.995 20 0 CHADMN C[C@H](C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1)CC(C)(C)C ZINC000709289636 1121470748 /nfs/dbraw/zinc/47/07/48/1121470748.db2.gz UAYDXZOVXHKRQL-LBPRGKRZSA-N 0 1 275.392 3.773 20 0 CHADMN Cc1cc(C[N@@H+](CCO)Cc2ccccc2)ccc1Cl ZINC000507612009 1121474794 /nfs/dbraw/zinc/47/47/94/1121474794.db2.gz WEXBFVFHPOSBHI-UHFFFAOYSA-N 0 1 289.806 3.643 20 0 CHADMN C[C@H]1c2ccc(F)cc2CCN1C[C@@H]1CC2(CCC2)CO1 ZINC001175883164 1121476201 /nfs/dbraw/zinc/47/62/01/1121476201.db2.gz RBHZSYJUKYXGNW-BBRMVZONSA-N 0 1 289.394 3.704 20 0 CHADMN CC[C@H]1CCC[C@@H]1C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC001129273967 1121481547 /nfs/dbraw/zinc/48/15/47/1121481547.db2.gz HDEBBMGACZXQJS-RYUDHWBXSA-N 0 1 271.364 3.636 20 0 CHADMN CC(C)c1cccc(NC(=O)CN2C[C@H](C)C[C@H](C)C2)c1 ZINC000028905096 1121481567 /nfs/dbraw/zinc/48/15/67/1121481567.db2.gz VVKQWXFWPSDCSB-GASCZTMLSA-N 0 1 288.435 3.726 20 0 CHADMN C[N@@H+](CC[C@H]1CCCO1)Cc1ccc(C(F)(F)F)s1 ZINC000432929088 1121484893 /nfs/dbraw/zinc/48/48/93/1121484893.db2.gz PMMCGUPAVNTJRN-SNVBAGLBSA-N 0 1 293.354 3.768 20 0 CHADMN Clc1ccc(CN2CCOC[C@@H](C3CCC3)C2)s1 ZINC000429260869 1121488441 /nfs/dbraw/zinc/48/84/41/1121488441.db2.gz DAJVKQIDBFNJQW-LBPRGKRZSA-N 0 1 285.840 3.650 20 0 CHADMN COc1ccc(-c2ccncc2)cc1CNCC(C)(C)F ZINC000631190128 1128990462 /nfs/dbraw/zinc/99/04/62/1128990462.db2.gz XUVFHWXANXIPSR-UHFFFAOYSA-N 0 1 288.366 3.595 20 0 CHADMN CSc1ccc(CNCc2cccc3c2OCC3)s1 ZINC000922944043 1121493963 /nfs/dbraw/zinc/49/39/63/1121493963.db2.gz IOEYXJTVIQSEBD-UHFFFAOYSA-N 0 1 291.441 3.695 20 0 CHADMN Cc1cc(Cl)cc(CNCc2cc(C3CC3)nn2C)c1 ZINC000922946788 1121495869 /nfs/dbraw/zinc/49/58/69/1121495869.db2.gz DNUDWENRZMODOL-UHFFFAOYSA-N 0 1 289.810 3.549 20 0 CHADMN CN(Cc1c(Cl)oc2ccccc21)CC1(C)COC1 ZINC000625792705 1121502561 /nfs/dbraw/zinc/50/25/61/1121502561.db2.gz MULNGZKCGBPPIH-UHFFFAOYSA-N 0 1 279.767 3.555 20 0 CHADMN CCc1onc(C)c1CNC/C=C/c1ccc(F)c(F)c1 ZINC000922985138 1121503905 /nfs/dbraw/zinc/50/39/05/1121503905.db2.gz VYWSQKLNYDTUGS-SNAWJCMRSA-N 0 1 292.329 3.627 20 0 CHADMN Cc1scc(CN[C@H](c2ccccc2F)[C@@H](C)O)c1C ZINC000631167685 1128988611 /nfs/dbraw/zinc/98/86/11/1128988611.db2.gz QBBYQTMFIYVMKG-BZNIZROVSA-N 0 1 293.407 3.716 20 0 CHADMN Cc1c(CN2CC[C@H](F)C(F)(F)CC2)ccc(F)c1F ZINC001237154330 1128988687 /nfs/dbraw/zinc/98/86/87/1128988687.db2.gz NAEJVLFEWFIHOJ-LBPRGKRZSA-N 0 1 293.279 3.842 20 0 CHADMN CSC[C@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000429286830 1121509027 /nfs/dbraw/zinc/50/90/27/1121509027.db2.gz RNFVPLBAFNNBFU-NSHDSACASA-N 0 1 271.376 3.540 20 0 CHADMN Cc1cc(CN2C[C@@H](c3ccc(F)cc3)C[C@H]2C)no1 ZINC000246794873 1121512812 /nfs/dbraw/zinc/51/28/12/1121512812.db2.gz QGBCUAIAGVMTCZ-RISCZKNCSA-N 0 1 274.339 3.500 20 0 CHADMN Cc1cc(CN[C@@]2(C)CCOc3ccccc32)c(C)o1 ZINC000923023855 1121513781 /nfs/dbraw/zinc/51/37/81/1121513781.db2.gz DTUWIIYWZIDESW-KRWDZBQOSA-N 0 1 271.360 3.684 20 0 CHADMN Cc1cccc(-n2[nH]c(-c3ccc(Cl)cc3)cc2=O)c1 ZINC000614185739 1121514871 /nfs/dbraw/zinc/51/48/71/1121514871.db2.gz YJFLYLBWLBGLFK-UHFFFAOYSA-N 0 1 284.746 3.789 20 0 CHADMN CC(C)(C)c1cnc(CNC2([C@H]3CCCCO3)CC2)s1 ZINC000923031937 1121515444 /nfs/dbraw/zinc/51/54/44/1121515444.db2.gz ZWXHQYOXXLLRGY-GFCCVEGCSA-N 0 1 294.464 3.632 20 0 CHADMN CC(C)c1cc(=O)n(Cc2ccc(Cl)cc2Cl)[nH]1 ZINC000614189513 1121519310 /nfs/dbraw/zinc/51/93/10/1121519310.db2.gz MZWMBRSOBFZVAQ-UHFFFAOYSA-N 0 1 285.174 3.738 20 0 CHADMN Fc1ccc(Nc2ccc3nn[nH]c3c2)c(C(F)(F)F)c1 ZINC001176005502 1121520158 /nfs/dbraw/zinc/52/01/58/1121520158.db2.gz FUVWVTFFEDYQKG-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Fc1ccc(Nc2ccc3n[nH]nc3c2)c(C(F)(F)F)c1 ZINC001176005502 1121520162 /nfs/dbraw/zinc/52/01/62/1121520162.db2.gz FUVWVTFFEDYQKG-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN CC(C)(C)c1ccc(N)c(Nc2ccc3nn[nH]c3c2)c1 ZINC001176003805 1121520531 /nfs/dbraw/zinc/52/05/31/1121520531.db2.gz JEICMFSBRXGNQA-UHFFFAOYSA-N 0 1 281.363 3.581 20 0 CHADMN CC(C)(C)c1ccc(N)c(Nc2ccc3n[nH]nc3c2)c1 ZINC001176003805 1121520536 /nfs/dbraw/zinc/52/05/36/1121520536.db2.gz JEICMFSBRXGNQA-UHFFFAOYSA-N 0 1 281.363 3.581 20 0 CHADMN Cc1cccc(C2CC2)c1Nc1ccc2nn[nH]c2c1 ZINC001176005684 1121520646 /nfs/dbraw/zinc/52/06/46/1121520646.db2.gz XDVNLWGFDAEUFR-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1cccc(C2CC2)c1Nc1ccc2n[nH]nc2c1 ZINC001176005684 1121520655 /nfs/dbraw/zinc/52/06/55/1121520655.db2.gz XDVNLWGFDAEUFR-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1c(Cl)cccc1Nc1ccc2nn[nH]c2c1 ZINC001176005548 1121521659 /nfs/dbraw/zinc/52/16/59/1121521659.db2.gz IDDRNNWPHPPVCK-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1c(Cl)cccc1Nc1ccc2n[nH]nc2c1 ZINC001176005548 1121521666 /nfs/dbraw/zinc/52/16/66/1121521666.db2.gz IDDRNNWPHPPVCK-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN COc1ccnc([C@H](C)N[C@H]2CCc3c2cccc3C)c1 ZINC000925370866 1121522178 /nfs/dbraw/zinc/52/21/78/1121522178.db2.gz MTHQDVZQGYHHDA-GUYCJALGSA-N 0 1 282.387 3.737 20 0 CHADMN CC[C@@](C)(NCc1conc1C)c1ccc(F)cc1 ZINC000631195193 1128991061 /nfs/dbraw/zinc/99/10/61/1128991061.db2.gz UKCWVHKZAXPFGH-OAHLLOKOSA-N 0 1 262.328 3.537 20 0 CHADMN CC(C)N(Cc1sc(=O)[nH]c1Cl)Cc1ccccc1 ZINC001237162467 1128991099 /nfs/dbraw/zinc/99/10/99/1128991099.db2.gz VVPYMENXBXFWTL-UHFFFAOYSA-N 0 1 296.823 3.913 20 0 CHADMN CCCCc1noc(CN2CCCC[C@H]2CC(C)C)n1 ZINC000466667410 1121525556 /nfs/dbraw/zinc/52/55/56/1121525556.db2.gz XABJLRSYNKEBRZ-AWEZNQCLSA-N 0 1 279.428 3.813 20 0 CHADMN C[C@@H](CNCc1ccon1)c1c(Cl)cccc1Cl ZINC000634958782 1121526089 /nfs/dbraw/zinc/52/60/89/1121526089.db2.gz ZNAHZAYOADIVJP-VIFPVBQESA-N 0 1 285.174 3.875 20 0 CHADMN Cc1nc2c(n1C[C@@H]1CC(C)(C)OC1(C)C)CCCC2 ZINC000711401264 1121527958 /nfs/dbraw/zinc/52/79/58/1121527958.db2.gz SDJHIALFPNWRRE-ZDUSSCGKSA-N 0 1 276.424 3.664 20 0 CHADMN c1cc(CN2CCC(c3cccc4ccccc43)CC2)n[nH]1 ZINC000512687201 1121528416 /nfs/dbraw/zinc/52/84/16/1121528416.db2.gz NYCPGBUCUBRFIS-UHFFFAOYSA-N 0 1 291.398 3.943 20 0 CHADMN C[C@@H]1CC[C@H](N(C)Cc2cc(O)ccc2Br)C1 ZINC000433041242 1121530183 /nfs/dbraw/zinc/53/01/83/1121530183.db2.gz BUKVBQZAIOZGHP-PWSUYJOCSA-N 0 1 298.224 3.775 20 0 CHADMN Fc1cc(Br)cc(Cl)c1Nc1ncc[nH]1 ZINC001176082963 1121533179 /nfs/dbraw/zinc/53/31/79/1121533179.db2.gz QPBNYKKTMCDKOG-UHFFFAOYSA-N 0 1 290.523 3.708 20 0 CHADMN Fc1cccc(F)c1CN1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001176089038 1121534601 /nfs/dbraw/zinc/53/46/01/1121534601.db2.gz XLIQDAUPVBSWIQ-KBXCAEBGSA-N 0 1 285.337 3.738 20 0 CHADMN CCC(CC)Oc1cccc(F)c1Nc1ncc[nH]1 ZINC001176091227 1121536933 /nfs/dbraw/zinc/53/69/33/1121536933.db2.gz VXAJXKNGFSEAOF-UHFFFAOYSA-N 0 1 263.316 3.860 20 0 CHADMN CC(C)(NC/C=C\c1ccc(F)cc1F)c1nccs1 ZINC000543633937 1121541202 /nfs/dbraw/zinc/54/12/02/1121541202.db2.gz WQQDGNXBJZBUKD-ARJAWSKDSA-N 0 1 294.370 3.959 20 0 CHADMN CC[C@H](NCc1cccc2ccccc21)c1ccn(C)n1 ZINC000543636862 1121543640 /nfs/dbraw/zinc/54/36/40/1121543640.db2.gz QJKLWWZFRYZPMH-KRWDZBQOSA-N 0 1 279.387 3.814 20 0 CHADMN CSC1(CNc2cc[nH+]c3c([O-])cccc23)CCC1 ZINC000619498473 1128992792 /nfs/dbraw/zinc/99/27/92/1128992792.db2.gz LAIXIKJSTYRHBR-UHFFFAOYSA-N 0 1 274.389 3.638 20 0 CHADMN CCc1noc([C@H](C)N2CCC[C@H](c3ccccc3)C2)n1 ZINC000433066234 1121546956 /nfs/dbraw/zinc/54/69/56/1121546956.db2.gz IOFZGDCWQICFAN-ZFWWWQNUSA-N 0 1 285.391 3.573 20 0 CHADMN CCc1ccc([C@@H]2CCN(Cc3nc(C(C)C)no3)C2)cc1 ZINC000433074163 1121550288 /nfs/dbraw/zinc/55/02/88/1121550288.db2.gz CWPXNXABZNAJNP-MRXNPFEDSA-N 0 1 299.418 3.745 20 0 CHADMN Cc1ncc([C@H](C)NCc2cccc(C)c2F)s1 ZINC000631228167 1128993048 /nfs/dbraw/zinc/99/30/48/1128993048.db2.gz OFDVILLBNFOWMU-JTQLQIEISA-N 0 1 264.369 3.750 20 0 CHADMN Cc1c(CSC(C)C)cccc1NCc1cnc[nH]1 ZINC000894111433 1121552381 /nfs/dbraw/zinc/55/23/81/1121552381.db2.gz LXJFIZXCZQQXFO-UHFFFAOYSA-N 0 1 275.421 3.972 20 0 CHADMN Cc1cc(CN(C)[C@H](C)CSc2ccccc2)on1 ZINC000649664804 1128993220 /nfs/dbraw/zinc/99/32/20/1128993220.db2.gz SQGJNBGTEZLAHU-CYBMUJFWSA-N 0 1 276.405 3.596 20 0 CHADMN Cc1csc(CCC(=O)Nc2nc3cccc(C)c3[nH]2)c1 ZINC001176169954 1121562240 /nfs/dbraw/zinc/56/22/40/1121562240.db2.gz PCIQCMCNBNBJNJ-UHFFFAOYSA-N 0 1 299.399 3.813 20 0 CHADMN C[C@@H]1CCCC[C@H]1COc1ccccc1-c1nnc[nH]1 ZINC000663988396 1121562690 /nfs/dbraw/zinc/56/26/90/1121562690.db2.gz GGAFZQPWZOQPGJ-OLZOCXBDSA-N 0 1 271.364 3.677 20 0 CHADMN COc1cccc(-c2cc(Nc3c(C)noc3C)on2)c1 ZINC001176176020 1121562984 /nfs/dbraw/zinc/56/29/84/1121562984.db2.gz IVTAWIPKUWLAIE-UHFFFAOYSA-N 0 1 285.303 3.699 20 0 CHADMN Cc1noc(C)c1Nc1cc(-c2ccc(C)cc2)no1 ZINC001176177018 1121563484 /nfs/dbraw/zinc/56/34/84/1121563484.db2.gz QRGKPUHRQJJHQK-UHFFFAOYSA-N 0 1 269.304 3.998 20 0 CHADMN C[C@H]1CC(F)(F)CCN1Cc1cccc(OC(F)F)c1 ZINC000625979587 1121565081 /nfs/dbraw/zinc/56/50/81/1121565081.db2.gz BEOIRJOLHGWQAI-JTQLQIEISA-N 0 1 291.288 3.908 20 0 CHADMN C[C@@H](c1cccc2ccccc21)N1CCO[C@H](CCF)C1 ZINC000626002048 1121571789 /nfs/dbraw/zinc/57/17/89/1121571789.db2.gz FJVILVQDEVLJLE-GOEBONIOSA-N 0 1 287.378 3.961 20 0 CHADMN Cn1cc([C@H](N[C@@H]2CC23CCCC3)c2cccc(F)c2)cn1 ZINC000429421062 1121573549 /nfs/dbraw/zinc/57/35/49/1121573549.db2.gz FDASYTXUGFGVGU-IAGOWNOFSA-N 0 1 299.393 3.571 20 0 CHADMN FCC[C@H]1CN(C2c3ccccc3-c3ccccc32)CCO1 ZINC000626003716 1121574157 /nfs/dbraw/zinc/57/41/57/1121574157.db2.gz PDPAOOVKZMVRLY-AWEZNQCLSA-N 0 1 297.373 3.817 20 0 CHADMN COCCN1CCC[C@@H]1c1ccc(Br)cc1C ZINC000626009629 1121575474 /nfs/dbraw/zinc/57/54/74/1121575474.db2.gz NMBSUKSCDJRVSV-CQSZACIVSA-N 0 1 298.224 3.541 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000923468531 1121577208 /nfs/dbraw/zinc/57/72/08/1121577208.db2.gz BGEXJGHOYMHDFV-PBHICJAKSA-N 0 1 281.440 3.780 20 0 CHADMN COCC[C@H](c1ccccc1)N1Cc2cccc(OC)c2C1 ZINC000626023147 1121581508 /nfs/dbraw/zinc/58/15/08/1121581508.db2.gz YNPNQENSUVXHSN-GOSISDBHSA-N 0 1 297.398 3.789 20 0 CHADMN Cc1cccc2ncc(Nc3ccc4c(c3)CCC4=O)n21 ZINC001176233048 1121582834 /nfs/dbraw/zinc/58/28/34/1121582834.db2.gz HMNXUKYYBIUDLA-UHFFFAOYSA-N 0 1 277.327 3.515 20 0 CHADMN CC(C)C[C@@H]1CCN(CC(=O)Nc2cccc(Cl)c2)C1 ZINC000466732213 1121586331 /nfs/dbraw/zinc/58/63/31/1121586331.db2.gz ZCXNWMMQCDKKKZ-ZDUSSCGKSA-N 0 1 294.826 3.647 20 0 CHADMN CC[C@@H](N[C@H](CO)CC(F)F)c1cccc(Cl)c1F ZINC000429455303 1121589290 /nfs/dbraw/zinc/58/92/90/1121589290.db2.gz VDDHHMWDFKEICE-GZMMTYOYSA-N 0 1 295.732 3.536 20 0 CHADMN CCOc1cc(F)c(F)cc1Nc1ccc2nccn2c1 ZINC001211796599 1121596868 /nfs/dbraw/zinc/59/68/68/1121596868.db2.gz HBFYTIKSQAOAEJ-UHFFFAOYSA-N 0 1 289.285 3.755 20 0 CHADMN FC(F)(F)[C@@H]1C[C@H]1NCc1cnc(C2CCCC2)s1 ZINC000631260955 1128996062 /nfs/dbraw/zinc/99/60/62/1128996062.db2.gz UFRXWSYZHUNERG-GHMZBOCLSA-N 0 1 290.354 3.841 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccoc1 ZINC000671753231 1121598903 /nfs/dbraw/zinc/59/89/03/1121598903.db2.gz HGZMEJXJVIGYGB-VHSXEESVSA-N 0 1 272.304 3.538 20 0 CHADMN COc1cc(Cl)cc(-n2c(N)nc3c2cccc3C)c1 ZINC001176343851 1121602816 /nfs/dbraw/zinc/60/28/16/1121602816.db2.gz NEDWFSWQMJXFEG-UHFFFAOYSA-N 0 1 287.750 3.578 20 0 CHADMN CC[C@@H](C[N@H+]1CCC[C@@H]1c1ccc(F)cc1F)OC ZINC000419283403 1121618183 /nfs/dbraw/zinc/61/81/83/1121618183.db2.gz NARGEDFWLFBVQQ-SWLSCSKDSA-N 0 1 269.335 3.527 20 0 CHADMN Fc1ccc(CN2CCSC3(CCC3)CC2)cc1F ZINC000411869569 1121628715 /nfs/dbraw/zinc/62/87/15/1121628715.db2.gz MYXANNVFVPVUKV-UHFFFAOYSA-N 0 1 283.387 3.826 20 0 CHADMN COc1cc(CN(C)CCCSC(C)(C)C)sn1 ZINC001176474769 1121635219 /nfs/dbraw/zinc/63/52/19/1121635219.db2.gz SILALGNZENKVKA-UHFFFAOYSA-N 0 1 288.482 3.505 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@H](CC)[C@H]2CC2(C)C)n1 ZINC000419312034 1121641206 /nfs/dbraw/zinc/64/12/06/1121641206.db2.gz FDKJOXBLVHGCAS-IJLUTSLNSA-N 0 1 297.468 3.798 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCOc2cccc(C)c2)on1 ZINC000052009650 1121648519 /nfs/dbraw/zinc/64/85/19/1121648519.db2.gz DVUDBXICCAPDSR-INIZCTEOSA-N 0 1 286.375 3.507 20 0 CHADMN CC[C@H](NCc1nc(Cc2ccccc2)no1)[C@@H]1CC1(C)C ZINC000419321385 1121649916 /nfs/dbraw/zinc/64/99/16/1121649916.db2.gz RAXUTJNYYLYYOZ-GJZGRUSLSA-N 0 1 299.418 3.575 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000008142118 1121653095 /nfs/dbraw/zinc/65/30/95/1121653095.db2.gz JEIOHNXFAHVPQO-INIZCTEOSA-N 0 1 296.414 3.762 20 0 CHADMN CSCc1cc(F)ccc1CN[C@H](C)c1c[nH]nc1C ZINC000611520119 1121654248 /nfs/dbraw/zinc/65/42/48/1121654248.db2.gz ZKUGZTLQLZLGII-SNVBAGLBSA-N 0 1 293.411 3.571 20 0 CHADMN COc1cc(NCc2cc(C)[nH]n2)c(C2CC2)cc1Cl ZINC001118326375 1121658777 /nfs/dbraw/zinc/65/87/77/1121658777.db2.gz UPAHFZSALPNGSI-UHFFFAOYSA-N 0 1 291.782 3.870 20 0 CHADMN CC1(C)SC[C@@H]1N[C@@H](c1ccccc1)c1ccccn1 ZINC000283423860 1121665580 /nfs/dbraw/zinc/66/55/80/1121665580.db2.gz RURBDRFLZIQNCI-HOTGVXAUSA-N 0 1 284.428 3.655 20 0 CHADMN C/C(=C\c1ccc(Cl)cc1)CNCc1nccs1 ZINC000513026212 1121665915 /nfs/dbraw/zinc/66/59/15/1121665915.db2.gz PIOREUCWEVSIHN-DHZHZOJOSA-N 0 1 278.808 3.990 20 0 CHADMN CC(C)Oc1cc(C(F)(F)F)ccc1Nc1nnco1 ZINC001176598001 1121668916 /nfs/dbraw/zinc/66/89/16/1121668916.db2.gz RFLNIVNSKREXQS-UHFFFAOYSA-N 0 1 287.241 3.619 20 0 CHADMN COc1cc(-c2ccccc2)ccc1CN1CCCOCC1 ZINC000512765379 1121673399 /nfs/dbraw/zinc/67/33/99/1121673399.db2.gz VCOQQLCFZUIWIJ-UHFFFAOYSA-N 0 1 297.398 3.585 20 0 CHADMN CC(C)(CF)NCc1cscc1C(F)(F)F ZINC000336695521 1121714950 /nfs/dbraw/zinc/71/49/50/1121714950.db2.gz YHHSIDAVLCBWSY-UHFFFAOYSA-N 0 1 255.280 3.605 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)C[C@@H]1CCCCO1 ZINC000052074740 1121674508 /nfs/dbraw/zinc/67/45/08/1121674508.db2.gz AUWYIGKJSLEYNU-AAEUAGOBSA-N 0 1 269.335 3.527 20 0 CHADMN Cn1cccc1[C@@H]1CCCN1Cc1scnc1C1CC1 ZINC000495059603 1121674705 /nfs/dbraw/zinc/67/47/05/1121674705.db2.gz OFSFVUULXJUOFR-AWEZNQCLSA-N 0 1 287.432 3.696 20 0 CHADMN CC(C)[C@@H]1CC[C@H]1N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000513662542 1121678125 /nfs/dbraw/zinc/67/81/25/1121678125.db2.gz XBGXMZTUQSNKNK-AEGPPILISA-N 0 1 285.391 3.822 20 0 CHADMN Clc1ccc(-c2cnc(CN3CCCCC3)o2)cc1 ZINC000041362292 1121679664 /nfs/dbraw/zinc/67/96/64/1121679664.db2.gz DMODZLKYROTXDA-UHFFFAOYSA-N 0 1 276.767 3.981 20 0 CHADMN CCC1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000052279976 1121681929 /nfs/dbraw/zinc/68/19/29/1121681929.db2.gz UMHXQNSTIBSUIL-ZDUSSCGKSA-N 0 1 285.391 3.920 20 0 CHADMN F[C@@H]1CCCN(C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC001176808290 1121694820 /nfs/dbraw/zinc/69/48/20/1121694820.db2.gz HHBMDPIYZXAINK-HUUCEWRRSA-N 0 1 269.404 3.692 20 0 CHADMN O=C(Cc1cnc[nH]1)Nc1ccc(C2CC2)c2ccccc12 ZINC001176833188 1121697403 /nfs/dbraw/zinc/69/74/03/1121697403.db2.gz CXMVSYKYSAPKLX-UHFFFAOYSA-N 0 1 291.354 3.622 20 0 CHADMN C[C@H](CN1CCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500959525 1121699327 /nfs/dbraw/zinc/69/93/27/1121699327.db2.gz VSMZXBYGDDNPNN-NEPJUHHUSA-N 0 1 287.325 3.530 20 0 CHADMN Fc1cccc(Cl)c1CNC1([C@@H]2CCCO2)CCC1 ZINC001176940368 1121701985 /nfs/dbraw/zinc/70/19/85/1121701985.db2.gz SGUPLRWIHLKENH-AWEZNQCLSA-N 0 1 283.774 3.670 20 0 CHADMN CC(C)(C)c1csc(CNC2([C@@H]3CCCO3)CCC2)n1 ZINC001176940019 1121702335 /nfs/dbraw/zinc/70/23/35/1121702335.db2.gz QKNJBCRYBCALSA-ZDUSSCGKSA-N 0 1 294.464 3.632 20 0 CHADMN C[C@@H](O)CCCNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000278843990 1121703826 /nfs/dbraw/zinc/70/38/26/1121703826.db2.gz LDUDUOLHZDEBKY-SNVBAGLBSA-N 0 1 298.308 3.827 20 0 CHADMN Cc1ncsc1CN1CCc2cc(C)cc(C)c2C1 ZINC001177033668 1121707123 /nfs/dbraw/zinc/70/71/23/1121707123.db2.gz OBBOJFQNFGLSEB-UHFFFAOYSA-N 0 1 272.417 3.627 20 0 CHADMN CN(C(=O)[C@@H](N)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000237069426 1121708719 /nfs/dbraw/zinc/70/87/19/1121708719.db2.gz PRZVQAMWYQYJCH-KRWDZBQOSA-N 0 1 296.414 3.647 20 0 CHADMN COc1ccc(CNCc2ccccc2C)c(Cl)c1 ZINC001177108535 1121713313 /nfs/dbraw/zinc/71/33/13/1121713313.db2.gz FHSFPMKKALMNEO-UHFFFAOYSA-N 0 1 275.779 3.947 20 0 CHADMN Cc1cc(F)c(CNCCOc2ccccc2F)c(F)c1 ZINC001177166319 1121714131 /nfs/dbraw/zinc/71/41/31/1121714131.db2.gz OHNSFTQGJGTJGT-UHFFFAOYSA-N 0 1 295.304 3.581 20 0 CHADMN CCCOc1ccc([C@H](C)NCc2ccoc2)cc1OC ZINC000727467002 1121720307 /nfs/dbraw/zinc/72/03/07/1121720307.db2.gz LBFPIAVQDOLWAQ-ZDUSSCGKSA-N 0 1 289.375 3.928 20 0 CHADMN CC(C)CC(=O)Nc1cccc(CNCc2ccoc2)c1 ZINC000727468444 1121721771 /nfs/dbraw/zinc/72/17/71/1121721771.db2.gz JSUXUSOFNMQGOW-UHFFFAOYSA-N 0 1 286.375 3.554 20 0 CHADMN Cc1ccccc1[C@H]1CCN(Cc2nnc(C(C)(C)C)o2)C1 ZINC000726072434 1121730563 /nfs/dbraw/zinc/73/05/63/1121730563.db2.gz VXKLKGUMODUMQP-AWEZNQCLSA-N 0 1 299.418 3.665 20 0 CHADMN CCOc1ccc(CNCc2ccc(C)cc2F)cc1 ZINC001177487821 1121732424 /nfs/dbraw/zinc/73/24/24/1121732424.db2.gz QXBCALPCTUDBIQ-UHFFFAOYSA-N 0 1 273.351 3.823 20 0 CHADMN CCOc1cccc(CN[C@@H](C)c2ccc(C)s2)n1 ZINC001177496722 1121733927 /nfs/dbraw/zinc/73/39/27/1121733927.db2.gz NJHMVVGHJBNUNZ-LBPRGKRZSA-N 0 1 276.405 3.701 20 0 CHADMN CN1Cc2ccccc2[C@H](NCc2ccccc2Cl)C1 ZINC000533818485 1121744734 /nfs/dbraw/zinc/74/47/34/1121744734.db2.gz FZWNDYFWSJEONG-QGZVFWFLSA-N 0 1 286.806 3.616 20 0 CHADMN Cc1nc(C)c([C@@H](C)N(C)C[C@H]2CC2(Cl)Cl)s1 ZINC000730378389 1121806564 /nfs/dbraw/zinc/80/65/64/1121806564.db2.gz NUYWNXZNLXTLLX-PSASIEDQSA-N 0 1 293.263 3.947 20 0 CHADMN C[C@H](NCc1ccc(SC(F)F)cc1)c1cnn(C)c1 ZINC001177911737 1121756289 /nfs/dbraw/zinc/75/62/89/1121756289.db2.gz JWKRDBMYNGKGOA-JTQLQIEISA-N 0 1 297.374 3.586 20 0 CHADMN Cc1cccc(F)c1CNCc1ccc2c(c1)C[C@H](C)O2 ZINC001177929225 1121758075 /nfs/dbraw/zinc/75/80/75/1121758075.db2.gz UAYIHLQIYOWXOL-ZDUSSCGKSA-N 0 1 285.362 3.747 20 0 CHADMN Cc1ccc(CN(C)C[C@H]2CC2(Cl)Cl)s1 ZINC000728115000 1121761181 /nfs/dbraw/zinc/76/11/81/1121761181.db2.gz FXJAHIBBNPPNPY-SECBINFHSA-N 0 1 264.221 3.682 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cc(C)cc(C)c1)CO2 ZINC001178003623 1121761440 /nfs/dbraw/zinc/76/14/40/1121761440.db2.gz SRWYCLUJFJPAAY-KRWDZBQOSA-N 0 1 267.372 3.835 20 0 CHADMN Cc1nc(CN2C[C@@H](C)C[C@@H]2c2ccccc2)oc1C ZINC000285725234 1121764166 /nfs/dbraw/zinc/76/41/66/1121764166.db2.gz PPRLVXPBSWCOJK-BLLLJJGKSA-N 0 1 270.376 3.875 20 0 CHADMN Cc1ccc(SC[C@@H](C)N[C@H](C)c2ncc[nH]2)cc1 ZINC000285977188 1121765605 /nfs/dbraw/zinc/76/56/05/1121765605.db2.gz GJRRWVXRLTUVGW-CHWSQXEVSA-N 0 1 275.421 3.550 20 0 CHADMN C[C@H](N[C@H]1c2cccc(F)c2CC[C@@H]1C)c1ncc[nH]1 ZINC000286265379 1121766644 /nfs/dbraw/zinc/76/66/44/1121766644.db2.gz VDGAXLGSCLWIBV-ZIBATOQPSA-N 0 1 273.355 3.523 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000286683795 1121769811 /nfs/dbraw/zinc/76/98/11/1121769811.db2.gz XBJFOPNRLZZZFI-SJCJKPOMSA-N 0 1 295.386 3.510 20 0 CHADMN CC(C)c1ccc(O[C@@H](C)CN[C@H](C)c2ncc[nH]2)cc1 ZINC000287201999 1121770410 /nfs/dbraw/zinc/77/04/10/1121770410.db2.gz WJPZMJIYHKTOMK-UONOGXRCSA-N 0 1 287.407 3.651 20 0 CHADMN CCC/C=C\C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000729349486 1121777851 /nfs/dbraw/zinc/77/78/51/1121777851.db2.gz GHDNUWLSTMJYAD-KQQSKNTNSA-N 0 1 297.402 3.891 20 0 CHADMN Brc1ccc2c(c1)CN([C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167940188 1121778392 /nfs/dbraw/zinc/77/83/92/1121778392.db2.gz PLLFDTBFTNDLHW-JJLQDPRZSA-N 0 1 292.220 3.606 20 0 CHADMN Cc1ncoc1CN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000894210474 1121780948 /nfs/dbraw/zinc/78/09/48/1121780948.db2.gz GVSUDIQBSIWLBV-HNNXBMFYSA-N 0 1 276.355 3.999 20 0 CHADMN Cc1ccc(C)c([C@@H](C)NCc2cn3cccc(F)c3n2)c1 ZINC001178370485 1121782294 /nfs/dbraw/zinc/78/22/94/1121782294.db2.gz YZVRKJHNTIDTDE-CQSZACIVSA-N 0 1 297.377 3.941 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(C)ccc2C)o1 ZINC001178369237 1121782563 /nfs/dbraw/zinc/78/25/63/1121782563.db2.gz IAVGSXKVTFPBDI-CYBMUJFWSA-N 0 1 259.349 3.756 20 0 CHADMN CCC[C@H](NCc1ccoc1C)c1cc(C)ccn1 ZINC000631575704 1129008779 /nfs/dbraw/zinc/00/87/79/1129008779.db2.gz AZYMFYVLAYXFRK-HNNXBMFYSA-N 0 1 258.365 3.922 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccc(-n3ccnc3)cc2)o1 ZINC001178408797 1121786269 /nfs/dbraw/zinc/78/62/69/1121786269.db2.gz GZHUONBBJFMXPT-AWEZNQCLSA-N 0 1 295.386 3.879 20 0 CHADMN CCn1cnc(Cl)c1CN[C@@H](CC(F)(F)F)C(C)C ZINC001178510292 1121792012 /nfs/dbraw/zinc/79/20/12/1121792012.db2.gz WYVUFHZHVYWWDE-VIFPVBQESA-N 0 1 297.752 3.623 20 0 CHADMN CSCc1cccc(CNCc2cc3cnccc3o2)c1 ZINC001178518794 1121792855 /nfs/dbraw/zinc/79/28/55/1121792855.db2.gz AMKIYMQHPOQNKN-UHFFFAOYSA-N 0 1 298.411 3.981 20 0 CHADMN Fc1ccc(F)c(CN2CCC[C@H]2Cc2ccccn2)c1 ZINC001204219755 1121793465 /nfs/dbraw/zinc/79/34/65/1121793465.db2.gz MOOUVJKNLCYYDY-INIZCTEOSA-N 0 1 288.341 3.567 20 0 CHADMN C[C@H](NCc1cc(O)cc(Cl)c1)c1cccc(O)c1 ZINC001178589641 1121796610 /nfs/dbraw/zinc/79/66/10/1121796610.db2.gz OKUMWBRFSCWPSF-JTQLQIEISA-N 0 1 277.751 3.602 20 0 CHADMN CCC[C@H](NCc1cccc(CO)c1)c1cc(C)ccn1 ZINC000631581229 1129009932 /nfs/dbraw/zinc/00/99/32/1129009932.db2.gz OIWCNVJFLLHUAS-KRWDZBQOSA-N 0 1 284.403 3.513 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@H]2CCCc3ncccc32)cn1 ZINC000631583685 1129009967 /nfs/dbraw/zinc/00/99/67/1129009967.db2.gz UMUGDHKTUZNLPL-GUYCJALGSA-N 0 1 284.407 3.587 20 0 CHADMN CCN(C(=O)[C@@H]1CCN1C(C)(C)C)c1ccc(Cl)cc1 ZINC001178644431 1121801860 /nfs/dbraw/zinc/80/18/60/1121801860.db2.gz GQBBUVDGYVTAGS-AWEZNQCLSA-N 0 1 294.826 3.566 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001178690061 1121807505 /nfs/dbraw/zinc/80/75/05/1121807505.db2.gz JTEOOLCDGBISON-CZUORRHYSA-N 0 1 274.408 3.623 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)[C@H]2CCCCN2C)cc1 ZINC001178690061 1121807513 /nfs/dbraw/zinc/80/75/13/1121807513.db2.gz JTEOOLCDGBISON-CZUORRHYSA-N 0 1 274.408 3.623 20 0 CHADMN O=C(Cc1ccc(Cl)c(O)c1F)c1ccccc1 ZINC001249885579 1121813862 /nfs/dbraw/zinc/81/38/62/1121813862.db2.gz CGYQUFDLJUVGPY-UHFFFAOYSA-N 0 1 264.683 3.610 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(F)c3ccccc32)nn1 ZINC001178840297 1121821751 /nfs/dbraw/zinc/82/17/51/1121821751.db2.gz OQZAISAFJHOCRE-CYBMUJFWSA-N 0 1 295.361 3.928 20 0 CHADMN CC(C)(C)CCC[NH2+]Cc1cccc([O-])c1Cl ZINC000313309699 1121827617 /nfs/dbraw/zinc/82/76/17/1121827617.db2.gz WCEQPOMDNLDDDH-UHFFFAOYSA-N 0 1 255.789 3.962 20 0 CHADMN CC[C@@H]1OCC[C@H]1NCc1ccc(F)c(Cl)c1Cl ZINC001178931550 1121827903 /nfs/dbraw/zinc/82/79/03/1121827903.db2.gz PVMJLUUUWOKIPZ-MNOVXSKESA-N 0 1 292.181 3.790 20 0 CHADMN COc1ccc(C(=O)Cc2cc(Cl)c(O)cc2F)cc1 ZINC001249905019 1121828968 /nfs/dbraw/zinc/82/89/68/1121828968.db2.gz JJKVYIIOAGSOKT-UHFFFAOYSA-N 0 1 294.709 3.619 20 0 CHADMN COc1ccc2c(c1)CC[C@H]2N[C@H]1COc2ccc(C)cc21 ZINC000631600791 1129012403 /nfs/dbraw/zinc/01/24/03/1129012403.db2.gz SSRKVXYQHSBCKR-MSOLQXFVSA-N 0 1 295.382 3.714 20 0 CHADMN Cc1ccc(CN(Cc2cccnc2)C2CC2)cc1 ZINC000071122167 1121839275 /nfs/dbraw/zinc/83/92/75/1121839275.db2.gz SWAAYEPKJHHURT-UHFFFAOYSA-N 0 1 252.361 3.555 20 0 CHADMN COc1ccc2nc(SCCC(F)(F)F)[nH]c2c1 ZINC000072263992 1121845216 /nfs/dbraw/zinc/84/52/16/1121845216.db2.gz LZGCEOKYFGYTLQ-UHFFFAOYSA-N 0 1 276.283 3.616 20 0 CHADMN C[C@H](O)[C@@H](NC/C=C\c1ccccc1)c1ccccc1F ZINC001179082221 1121848047 /nfs/dbraw/zinc/84/80/47/1121848047.db2.gz WRGNWCHBCRVBOG-SVQQZKSFSA-N 0 1 285.362 3.551 20 0 CHADMN Fc1cccc(C2(N[C@@H]3CCCc4ncccc43)CC2)c1 ZINC000631608688 1129013508 /nfs/dbraw/zinc/01/35/08/1129013508.db2.gz RIVSKGCBQJFYJG-QGZVFWFLSA-N 0 1 282.362 3.877 20 0 CHADMN CCCC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(C)[nH]n1 ZINC001179152030 1121854983 /nfs/dbraw/zinc/85/49/83/1121854983.db2.gz IXCDTMKHOPVOLR-WFASDCNBSA-N 0 1 277.412 3.598 20 0 CHADMN C[C@H](NC/C=C\c1cccc(F)c1)c1ccns1 ZINC001179299704 1121868578 /nfs/dbraw/zinc/86/85/78/1121868578.db2.gz WLZGOXGAAXCXNY-MZBZXASESA-N 0 1 262.353 3.646 20 0 CHADMN C[C@@H](C(=O)Nc1ccc2cncn2c1)[C@@H](C)C(C)(C)C ZINC001179310555 1121870191 /nfs/dbraw/zinc/87/01/91/1121870191.db2.gz XFZQYIAUUXESCY-VXGBXAGGSA-N 0 1 273.380 3.591 20 0 CHADMN CC[C@@H]1CCCN(Cn2ccc(-c3cccs3)n2)C1 ZINC000731658924 1121876708 /nfs/dbraw/zinc/87/67/08/1121876708.db2.gz SPVANKLIDQUJFK-CYBMUJFWSA-N 0 1 275.421 3.691 20 0 CHADMN CC(C)(C)c1ncc(CNc2ccc3c(n2)CCCC3)cn1 ZINC001179515971 1121883439 /nfs/dbraw/zinc/88/34/39/1121883439.db2.gz NMFLQFQYIPOTJG-UHFFFAOYSA-N 0 1 296.418 3.660 20 0 CHADMN Cc1ncc(CN(Cc2ccccc2)C(C)C)s1 ZINC000345519920 1121893698 /nfs/dbraw/zinc/89/36/98/1121893698.db2.gz BYEPCYKXAHMMGA-UHFFFAOYSA-N 0 1 260.406 3.862 20 0 CHADMN CC[C@@H]1COC(C)(C)CN1CCCCC(F)(F)F ZINC000649716949 1129017195 /nfs/dbraw/zinc/01/71/95/1129017195.db2.gz RCRDGNQMCDIEFO-LLVKDONJSA-N 0 1 267.335 3.608 20 0 CHADMN Fc1ccc(CN2CCC(Cc3ccccc3)CC2)nc1 ZINC000345772125 1121914042 /nfs/dbraw/zinc/91/40/42/1121914042.db2.gz OETFBAAAYDYONH-UHFFFAOYSA-N 0 1 284.378 3.675 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2ccc(F)cn2)c1 ZINC000345817694 1121919441 /nfs/dbraw/zinc/91/94/41/1121919441.db2.gz YYXLSBBXJGPDLX-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN FC(F)(F)CCCN1CCC[C@H](C(F)(F)F)C1 ZINC001119960871 1121921690 /nfs/dbraw/zinc/92/16/90/1121921690.db2.gz ULVHNYRMOKDIAZ-QMMMGPOBSA-N 0 1 263.225 3.603 20 0 CHADMN Cc1ccc(C(C)(C)CN(C)Cc2ncccc2F)cc1 ZINC001179879248 1121924004 /nfs/dbraw/zinc/92/40/04/1121924004.db2.gz YZXMSMXDCYSFSD-UHFFFAOYSA-N 0 1 286.394 3.939 20 0 CHADMN CC(C)=CC(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732522339 1121924565 /nfs/dbraw/zinc/92/45/65/1121924565.db2.gz ZNFPRMGVSGXWPH-VIFPVBQESA-N 0 1 278.739 3.787 20 0 CHADMN CC=CC=CC(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732543682 1121924769 /nfs/dbraw/zinc/92/47/69/1121924769.db2.gz JLUCVDBRJQVVBJ-POOPIXKXSA-N 0 1 289.766 3.526 20 0 CHADMN CCC[C@@H](C)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732542854 1121924885 /nfs/dbraw/zinc/92/48/85/1121924885.db2.gz VCGIHKVFDBDSAV-NXEZZACHSA-N 0 1 293.798 3.830 20 0 CHADMN CCn1ccc(CN2CCC[C@@H]2c2cccc(C)c2C)n1 ZINC001179906229 1121929224 /nfs/dbraw/zinc/92/92/24/1121929224.db2.gz UYQNUSCJCYIDMR-GOSISDBHSA-N 0 1 283.419 3.857 20 0 CHADMN Fc1ccc(CCN2CC=C(C(F)(F)F)CC2)cc1 ZINC001179906116 1121929741 /nfs/dbraw/zinc/92/97/41/1121929741.db2.gz RLRBWNNQMJHFSH-UHFFFAOYSA-N 0 1 273.273 3.563 20 0 CHADMN COC1CCN([C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000345946099 1121930554 /nfs/dbraw/zinc/93/05/54/1121930554.db2.gz YIAOGDCDXLTJTJ-ZDUSSCGKSA-N 0 1 286.375 3.513 20 0 CHADMN Clc1cccc(CCN2Cc3ccccc3C2)c1 ZINC001180007025 1121936800 /nfs/dbraw/zinc/93/68/00/1121936800.db2.gz NOCZZRZDFJLWSW-UHFFFAOYSA-N 0 1 257.764 3.898 20 0 CHADMN CCC[C@@H](C)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000501009152 1121936904 /nfs/dbraw/zinc/93/69/04/1121936904.db2.gz XFPSCVZMCNAQPG-CZUORRHYSA-N 0 1 265.372 3.696 20 0 CHADMN CCCCC1CCC(C(=O)NCc2cc(CC)[nH]n2)CC1 ZINC000732795270 1121939656 /nfs/dbraw/zinc/93/96/56/1121939656.db2.gz ZIMSLGJAOWDDSL-UHFFFAOYSA-N 0 1 291.439 3.585 20 0 CHADMN Cc1ccc(CN2CCC(OC(C)(C)C)CC2)c(F)c1 ZINC001180038865 1121940771 /nfs/dbraw/zinc/94/07/71/1121940771.db2.gz CWYNFMMLZSKGIV-UHFFFAOYSA-N 0 1 279.399 3.914 20 0 CHADMN COc1cc(F)cc(CN2CCS[C@@H]3CCCC[C@H]32)c1 ZINC001180052692 1121943799 /nfs/dbraw/zinc/94/37/99/1121943799.db2.gz SYHVVSFYVGECBG-HZPDHXFCSA-N 0 1 295.423 3.694 20 0 CHADMN CCC[C@@H](C)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000501038824 1121947086 /nfs/dbraw/zinc/94/70/86/1121947086.db2.gz UPICANQIVHPQQF-IUODEOHRSA-N 0 1 299.361 3.850 20 0 CHADMN Cc1cc(CN2CCC[C@H]2C(C)C)ncc1Br ZINC001180129173 1121948251 /nfs/dbraw/zinc/94/82/51/1121948251.db2.gz KCDCDSFVSAWGSG-AWEZNQCLSA-N 0 1 297.240 3.773 20 0 CHADMN CC[C@]1(C)CCN(Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC001180083166 1121948884 /nfs/dbraw/zinc/94/88/84/1121948884.db2.gz YCHXCARCSDEYRL-CQSZACIVSA-N 0 1 267.804 3.563 20 0 CHADMN Cc1cccc2nc(NC(=O)[C@@H](F)c3ccccc3)[nH]c21 ZINC001180141485 1121949999 /nfs/dbraw/zinc/94/99/99/1121949999.db2.gz XLKPFKFPMCOUFM-ZDUSSCGKSA-N 0 1 283.306 3.521 20 0 CHADMN Cc1scc(CN2CCOC3(CCCC3)C2)c1C ZINC001180149498 1121958391 /nfs/dbraw/zinc/95/83/91/1121958391.db2.gz YKFMGCSCIXLQGD-UHFFFAOYSA-N 0 1 265.422 3.510 20 0 CHADMN CNc1ccc(C)cc1CN1CCOc2ccccc2[C@@H]1C ZINC001180165278 1121960837 /nfs/dbraw/zinc/96/08/37/1121960837.db2.gz GKHXQHUWOJKMMO-HNNXBMFYSA-N 0 1 296.414 3.992 20 0 CHADMN CC(C)Cc1ncc(CNc2ccc3nc[nH]c3c2)s1 ZINC000419731648 1121965389 /nfs/dbraw/zinc/96/53/89/1121965389.db2.gz RCZPVPZXZFOQAI-UHFFFAOYSA-N 0 1 286.404 3.830 20 0 CHADMN Oc1ccc2c(c1)CN(Cc1cc3ccncc3s1)CC2 ZINC001180275642 1121966966 /nfs/dbraw/zinc/96/69/66/1121966966.db2.gz VCNWLJOWBUNBEK-UHFFFAOYSA-N 0 1 296.395 3.560 20 0 CHADMN CCCCCC[C@@H](C)CC(=O)N1CCN(C2CCC2)CC1 ZINC000733276856 1121972321 /nfs/dbraw/zinc/97/23/21/1121972321.db2.gz YLDPVZMJWGGYDP-MRXNPFEDSA-N 0 1 294.483 3.680 20 0 CHADMN CCN(CCc1ccccc1)Cc1ncc(C(C)C)o1 ZINC000733308467 1121974377 /nfs/dbraw/zinc/97/43/77/1121974377.db2.gz JNKUJUDSIBPXKO-UHFFFAOYSA-N 0 1 272.392 3.863 20 0 CHADMN C[C@]1(F)CCN(Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000501389598 1121974839 /nfs/dbraw/zinc/97/48/39/1121974839.db2.gz CIWHAXXAYCIILZ-ZDUSSCGKSA-N 0 1 291.288 3.562 20 0 CHADMN CO[C@H](CN[C@H](C)c1cccc(Cl)c1)C(F)(F)F ZINC000733323688 1121976369 /nfs/dbraw/zinc/97/63/69/1121976369.db2.gz NDIUZGZDRODTNK-LDYMZIIASA-N 0 1 281.705 3.568 20 0 CHADMN COc1ccc(CN(C)Cc2cccc3c2OCC3)cc1C ZINC001180285110 1121976530 /nfs/dbraw/zinc/97/65/30/1121976530.db2.gz WFNTWTUXWANEKE-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN CC(C)c1ccc(CC[N@H+]2CCO[C@H](C(C)C)C2)cc1 ZINC001180326072 1121980084 /nfs/dbraw/zinc/98/00/84/1121980084.db2.gz GAWPWTBGSCTNEZ-SFHVURJKSA-N 0 1 275.436 3.709 20 0 CHADMN Cc1ncc([C@H](C)N[C@H]2CCCc3c(O)cccc32)s1 ZINC000631708449 1129022590 /nfs/dbraw/zinc/02/25/90/1129022590.db2.gz OGSKWZJOSBFTOE-HZMBPMFUSA-N 0 1 288.416 3.885 20 0 CHADMN Cc1cc(CN[C@@H]2c3ccccc3CC[C@H]2C(C)C)nn1C ZINC000414440948 1121983587 /nfs/dbraw/zinc/98/35/87/1121983587.db2.gz ZAQHBIHGQHMYRQ-HKUYNNGSSA-N 0 1 297.446 3.778 20 0 CHADMN CCCn1cncc1CN(C)[C@H]1CCCc2ccccc21 ZINC001180423035 1121984674 /nfs/dbraw/zinc/98/46/74/1121984674.db2.gz SSXNOVRGSDGNJU-SFHVURJKSA-N 0 1 283.419 3.803 20 0 CHADMN Cc1occc1CN1CC2(CCCC2)OC(C)(C)C1 ZINC000414442864 1121987556 /nfs/dbraw/zinc/98/75/56/1121987556.db2.gz YSLDQLSHGDGKDC-UHFFFAOYSA-N 0 1 263.381 3.512 20 0 CHADMN CC[C@@H](OC(=O)Cc1[nH]nc2ccccc21)c1ccccc1 ZINC000733464647 1121993287 /nfs/dbraw/zinc/99/32/87/1121993287.db2.gz PTRJHQOLZLOKFR-QGZVFWFLSA-N 0 1 294.354 3.800 20 0 CHADMN Cc1occc1CN[C@@H](c1ccccc1)C1(CO)CCC1 ZINC000414456197 1122010264 /nfs/dbraw/zinc/01/02/64/1122010264.db2.gz UBALCFIAONNGCD-KRWDZBQOSA-N 0 1 285.387 3.582 20 0 CHADMN Cc1coc(CN[C@]2(C)CCCc3ccccc32)c1 ZINC001180780143 1122016327 /nfs/dbraw/zinc/01/63/27/1122016327.db2.gz QSZPOCNRROFQKQ-QGZVFWFLSA-N 0 1 255.361 3.929 20 0 CHADMN CC(C)=CCNCc1ccc(C(F)(F)F)nc1Cl ZINC001180886255 1122019260 /nfs/dbraw/zinc/01/92/60/1122019260.db2.gz XLORIABTJDDKGN-UHFFFAOYSA-N 0 1 278.705 3.810 20 0 CHADMN COc1cncc(CN(C)C/C(C)=C\c2ccccc2)c1C ZINC001180866008 1122019782 /nfs/dbraw/zinc/01/97/82/1122019782.db2.gz XPNQTKGMFMNOKW-GDNBJRDFSA-N 0 1 296.414 3.934 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1cnn(C)c1C1CC1 ZINC001180864934 1122019988 /nfs/dbraw/zinc/01/99/88/1122019988.db2.gz BRQGWNWVTPXXCN-PTNGSMBKSA-N 0 1 295.430 3.833 20 0 CHADMN C[C@H](O)[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000305674580 1129025607 /nfs/dbraw/zinc/02/56/07/1129025607.db2.gz YXYLEVWGYDKRKK-GMXVVIOVSA-N 0 1 285.790 3.633 20 0 CHADMN C[C@H](O)[C@@H]1CCCN([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000305674580 1129025609 /nfs/dbraw/zinc/02/56/09/1129025609.db2.gz YXYLEVWGYDKRKK-GMXVVIOVSA-N 0 1 285.790 3.633 20 0 CHADMN COC[C@H](NCc1ccc(OC(C)C)cc1)c1ccccc1 ZINC000264958140 1122041175 /nfs/dbraw/zinc/04/11/75/1122041175.db2.gz NIDZZBZMELGVCY-IBGZPJMESA-N 0 1 299.414 3.951 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)o1 ZINC000414479331 1122044753 /nfs/dbraw/zinc/04/47/53/1122044753.db2.gz ADUDJPGEGNMFBA-HUHSQHJXSA-N 0 1 297.398 3.711 20 0 CHADMN Cc1cccnc1CN[C@H]1CCSc2ccccc21 ZINC000071339306 1122045757 /nfs/dbraw/zinc/04/57/57/1122045757.db2.gz FKIMEESVGVLTCO-AWEZNQCLSA-N 0 1 270.401 3.717 20 0 CHADMN C[C@@H]1CN(Cc2cccc(C3CC3)c2)C[C@H](C2CC2)O1 ZINC001181371420 1122050178 /nfs/dbraw/zinc/05/01/78/1122050178.db2.gz BIJLGHPRAXMSBH-FZKQIMNGSA-N 0 1 271.404 3.563 20 0 CHADMN CO[C@H](C)c1nc(CN2CC[C@@H](C3CCCC3)C2)cs1 ZINC000420958240 1122050270 /nfs/dbraw/zinc/05/02/70/1122050270.db2.gz BPSHNUNJUOQTNE-TZMCWYRMSA-N 0 1 294.464 3.863 20 0 CHADMN CCc1ccc(CN2CCC[C@H](CC(F)(F)F)C2)nc1 ZINC000420957083 1122051141 /nfs/dbraw/zinc/05/11/41/1122051141.db2.gz ZCNKJPMFULSTIQ-CYBMUJFWSA-N 0 1 286.341 3.808 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CC[C@@H](C2CCCC2)C1 ZINC000420962745 1122051421 /nfs/dbraw/zinc/05/14/21/1122051421.db2.gz LEZJETKYFYUQBM-TZMCWYRMSA-N 0 1 291.439 3.940 20 0 CHADMN CCOc1cc(CN(C)Cc2cccc(Cl)c2)ccn1 ZINC001250009103 1122056464 /nfs/dbraw/zinc/05/64/64/1122056464.db2.gz CSVZOKOMBPRFCP-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN Cc1cnc(CN(C(C)C)[C@@H](C)c2ccsc2)cn1 ZINC000420999058 1122058652 /nfs/dbraw/zinc/05/86/52/1122058652.db2.gz BXXKSHRBKVCJTG-ZDUSSCGKSA-N 0 1 275.421 3.818 20 0 CHADMN CC(=O)c1cccc(CN(C)C2CC(OC(C)(C)C)C2)c1 ZINC000421006492 1122060870 /nfs/dbraw/zinc/06/08/70/1122060870.db2.gz KDJSDUTYTRMYPX-UHFFFAOYSA-N 0 1 289.419 3.667 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(F)cc1F ZINC000631757355 1129028897 /nfs/dbraw/zinc/02/88/97/1129028897.db2.gz XBEDIVOEIVZCGT-KNBVPPQFSA-N 0 1 265.225 3.566 20 0 CHADMN CC(C)n1ncnc1CN1CC[C@H](c2ccccc2)C1(C)C ZINC000421019907 1122065378 /nfs/dbraw/zinc/06/53/78/1122065378.db2.gz NAACDKUUDHDYHG-MRXNPFEDSA-N 0 1 298.434 3.627 20 0 CHADMN CC(C)(C)c1ccncc1CNCc1cccc(F)c1 ZINC000414500578 1122074793 /nfs/dbraw/zinc/07/47/93/1122074793.db2.gz QNROJEWGBKEIGB-UHFFFAOYSA-N 0 1 272.367 3.808 20 0 CHADMN CO[C@](C)([C@H](C)NCc1ncc(C(C)(C)C)s1)C1CC1 ZINC000414502873 1122076035 /nfs/dbraw/zinc/07/60/35/1122076035.db2.gz PTTALFKQSAOVHF-MEDUHNTESA-N 0 1 296.480 3.734 20 0 CHADMN C[C@@H]1C[C@H](C)CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000502388843 1122078090 /nfs/dbraw/zinc/07/80/90/1122078090.db2.gz MAMPNYANCXOFEI-ZIAGYGMSSA-N 0 1 297.402 3.585 20 0 CHADMN CCc1nc(CNCCc2cc(Cl)cc(Cl)c2)co1 ZINC001181828127 1122083158 /nfs/dbraw/zinc/08/31/58/1122083158.db2.gz RBCDWGUEFJYSIB-UHFFFAOYSA-N 0 1 299.201 3.876 20 0 CHADMN CC1(C)Cc2occc2[C@@H](N[C@H]2CCCn3nccc32)C1 ZINC000631808518 1129030247 /nfs/dbraw/zinc/03/02/47/1129030247.db2.gz FIKFIPBWJVOAPH-KBPBESRZSA-N 0 1 285.391 3.614 20 0 CHADMN Cc1cccc(CN(C)Cc2cccc(C3CC3)c2)n1 ZINC000421318090 1122093196 /nfs/dbraw/zinc/09/31/96/1122093196.db2.gz BTNHXYLRIOBAIC-UHFFFAOYSA-N 0 1 266.388 3.899 20 0 CHADMN CN(CCC(F)(F)F)Cc1cccc(C2CC2)c1 ZINC000421317974 1122093679 /nfs/dbraw/zinc/09/36/79/1122093679.db2.gz BCJGNNFNMMWFFI-UHFFFAOYSA-N 0 1 257.299 3.948 20 0 CHADMN Cc1ncn(C)c1Nc1c(Cl)cccc1Cl ZINC001250028963 1122096286 /nfs/dbraw/zinc/09/62/86/1122096286.db2.gz AASZWBBSRWBJQN-UHFFFAOYSA-N 0 1 256.136 3.779 20 0 CHADMN COCCCC1(CN(C)Cc2c(F)cccc2F)CCC1 ZINC001181947424 1122099446 /nfs/dbraw/zinc/09/94/46/1122099446.db2.gz ZAFNVAIWVDZUOZ-UHFFFAOYSA-N 0 1 297.389 3.994 20 0 CHADMN CC[C@](C)(NCCO[C@H]1CCCC[C@@H]1C)c1nccs1 ZINC000072684863 1122102551 /nfs/dbraw/zinc/10/25/51/1122102551.db2.gz VNHWKUHEMAWUHJ-DZKIICNBSA-N 0 1 296.480 3.953 20 0 CHADMN CC(=CC(=O)N[C@H](C)c1nc2ccccc2[nH]1)C(C)(C)C ZINC000079381040 1129031447 /nfs/dbraw/zinc/03/14/47/1129031447.db2.gz DQEOUIVIFADHHJ-NLYDNYMLSA-N 0 1 285.391 3.733 20 0 CHADMN COc1ccsc1CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000421387594 1122108229 /nfs/dbraw/zinc/10/82/29/1122108229.db2.gz JAXZMYAMDJJAKO-JTQLQIEISA-N 0 1 293.354 3.921 20 0 CHADMN CCOc1cc(F)cc(CN2CC(C)(C)[C@@H]2C2CC2)c1 ZINC001182183933 1122117451 /nfs/dbraw/zinc/11/74/51/1122117451.db2.gz KTVUMQKXAUISNL-INIZCTEOSA-N 0 1 277.383 3.845 20 0 CHADMN Clc1cc2c(c(CN3CCC(C4CC4)CC3)c1)OCC2 ZINC001182196570 1122119562 /nfs/dbraw/zinc/11/95/62/1122119562.db2.gz UCXFHRPLHILJMB-UHFFFAOYSA-N 0 1 291.822 3.897 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCCc3nc(C)ncc32)c(C)o1 ZINC000774200082 1122139403 /nfs/dbraw/zinc/13/94/03/1122139403.db2.gz BIURMNIVEPDBLI-MEDUHNTESA-N 0 1 285.391 3.723 20 0 CHADMN C[C@H](NCc1ccc(O)cc1)c1ccc(F)cc1F ZINC000034993071 1122139722 /nfs/dbraw/zinc/13/97/22/1122139722.db2.gz NGQGHZHTGFZKKQ-JTQLQIEISA-N 0 1 263.287 3.521 20 0 CHADMN CC(C)(C)C[C@H]1CC[N@@H+](Cc2cocn2)C1(C)C ZINC000414538114 1122144717 /nfs/dbraw/zinc/14/47/17/1122144717.db2.gz QDSXZWDFYNZRDG-GFCCVEGCSA-N 0 1 250.386 3.711 20 0 CHADMN CC[C@H](NCc1ccc(C)c(OC)n1)c1ccccc1 ZINC001182409965 1122150319 /nfs/dbraw/zinc/15/03/19/1122150319.db2.gz OHQLIOUPIWLDJN-INIZCTEOSA-N 0 1 270.376 3.640 20 0 CHADMN COC(C)(C)CCN1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000502876459 1122152160 /nfs/dbraw/zinc/15/21/60/1122152160.db2.gz QDHDENUCHKDVGM-KRWDZBQOSA-N 0 1 297.389 3.820 20 0 CHADMN CC(C)OCC(C)(C)NCc1ncc(C(C)C)s1 ZINC000414556302 1122156921 /nfs/dbraw/zinc/15/69/21/1122156921.db2.gz VLIUMOBMXJAOCS-UHFFFAOYSA-N 0 1 270.442 3.560 20 0 CHADMN C(CC1CCCCCC1)NCc1nnc(C2CC2)s1 ZINC000414561351 1122161575 /nfs/dbraw/zinc/16/15/75/1122161575.db2.gz YWKVXNVPRGHNPQ-UHFFFAOYSA-N 0 1 279.453 3.866 20 0 CHADMN Cc1ccc([C@@H](NCc2cccc(F)n2)C2CC2)cc1 ZINC000774458518 1122167053 /nfs/dbraw/zinc/16/70/53/1122167053.db2.gz OBRZHKWBCQZMHJ-QGZVFWFLSA-N 0 1 270.351 3.770 20 0 CHADMN CC(C)=CCC[C@H](C)CCNCc1ncnn1C(C)(C)C ZINC000503115281 1122168773 /nfs/dbraw/zinc/16/87/73/1122168773.db2.gz CSVXROSSCMWCTI-HNNXBMFYSA-N 0 1 292.471 3.895 20 0 CHADMN Cc1ccccc1[C@@H](NCc1ccn(C)n1)C(C)(C)C ZINC000271767488 1122175404 /nfs/dbraw/zinc/17/54/04/1122175404.db2.gz AQCNOXVAJOEMDP-MRXNPFEDSA-N 0 1 271.408 3.606 20 0 CHADMN CC(C)c1ccc(CN[C@@H](c2nccn2C)C2CC2)cc1 ZINC000271797562 1122177054 /nfs/dbraw/zinc/17/70/54/1122177054.db2.gz KMMPDVMSEFCNKD-QGZVFWFLSA-N 0 1 283.419 3.784 20 0 CHADMN CC(C)c1ccc(CN[C@H](c2nccn2C)C2CC2)cc1 ZINC000271797560 1122177065 /nfs/dbraw/zinc/17/70/65/1122177065.db2.gz KMMPDVMSEFCNKD-KRWDZBQOSA-N 0 1 283.419 3.784 20 0 CHADMN CCCC[C@@H](NCc1ccno1)c1ccc(OC)cc1 ZINC000271831766 1122177579 /nfs/dbraw/zinc/17/75/79/1122177579.db2.gz PRXKCNCAGIYXCQ-MRXNPFEDSA-N 0 1 274.364 3.704 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(CO)c1)c1cccc(F)c1F ZINC000271830139 1122177589 /nfs/dbraw/zinc/17/75/89/1122177589.db2.gz AEKJDQPXTZSIJM-NWDGAFQWSA-N 0 1 291.341 3.869 20 0 CHADMN Cc1cn[nH]c1CN1Cc2ccccc2-c2ccccc21 ZINC001182634700 1122177988 /nfs/dbraw/zinc/17/79/88/1122177988.db2.gz NRVZMRWMLJHYBR-UHFFFAOYSA-N 0 1 275.355 3.905 20 0 CHADMN CCc1cc(CNc2ncc(-c3ccccc3)s2)n[nH]1 ZINC000774528257 1122178198 /nfs/dbraw/zinc/17/81/98/1122178198.db2.gz BTBYZJHGSJOCPU-UHFFFAOYSA-N 0 1 284.388 3.708 20 0 CHADMN Cc1ccc(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1C ZINC001204352539 1122182907 /nfs/dbraw/zinc/18/29/07/1122182907.db2.gz BLFOHHJZNBUIJK-SJORKVTESA-N 0 1 271.404 3.637 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H](C)c2cccc(F)c2F)n[nH]1 ZINC000271949883 1122184997 /nfs/dbraw/zinc/18/49/97/1122184997.db2.gz KDJFLGVXEARSMN-UWVGGRQHSA-N 0 1 294.349 3.618 20 0 CHADMN CCCn1cc(C[N@H+]2CCc3ccccc3[C@H](C)C2)c(C)n1 ZINC001182733588 1122185850 /nfs/dbraw/zinc/18/58/50/1122185850.db2.gz ABESGQRGFKBCNH-OAHLLOKOSA-N 0 1 297.446 3.763 20 0 CHADMN COc1c(O)cccc1CN1CCC[C@H]1c1ccc(C)o1 ZINC000272265674 1122196462 /nfs/dbraw/zinc/19/64/62/1122196462.db2.gz KSESKEOTWXXZDA-AWEZNQCLSA-N 0 1 287.359 3.639 20 0 CHADMN Cc1coc(CN2CC(Cc3ccccc3C)C2)c1 ZINC001182991262 1122199597 /nfs/dbraw/zinc/19/95/97/1122199597.db2.gz VCVBPHJHKIZLDI-UHFFFAOYSA-N 0 1 255.361 3.571 20 0 CHADMN Cc1ccc(F)cc1CN[C@@H](CO)c1ccc(Cl)cc1 ZINC000272363378 1122200217 /nfs/dbraw/zinc/20/02/17/1122200217.db2.gz WNPJJTYWSXZOBQ-INIZCTEOSA-N 0 1 293.769 3.611 20 0 CHADMN CC(C)(C)C(F)(F)CNCC1Cc2ccccc2C1 ZINC001183024818 1122202220 /nfs/dbraw/zinc/20/22/20/1122202220.db2.gz PJKOYNOOZOZCRS-UHFFFAOYSA-N 0 1 267.363 3.672 20 0 CHADMN CC1(C)C[C@@H](N[C@H](CCc2ccccc2)C(F)F)CCO1 ZINC000272490365 1122203090 /nfs/dbraw/zinc/20/30/90/1122203090.db2.gz KEBYLWCOORNRMD-LSDHHAIUSA-N 0 1 297.389 3.800 20 0 CHADMN COCC[C@H](NCc1cccc(C)c1C)c1ccco1 ZINC000272512253 1122204786 /nfs/dbraw/zinc/20/47/86/1122204786.db2.gz HUZVVCLEQDVIGZ-INIZCTEOSA-N 0 1 273.376 3.764 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000272510145 1122205154 /nfs/dbraw/zinc/20/51/54/1122205154.db2.gz XHSPNEGIOLCAIP-SECBINFHSA-N 0 1 285.338 3.811 20 0 CHADMN COCC[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1ccco1 ZINC000272617319 1122207413 /nfs/dbraw/zinc/20/74/13/1122207413.db2.gz XLOTUWQPXYOIME-HZPDHXFCSA-N 0 1 289.350 3.773 20 0 CHADMN COCC[C@@H](N[C@H](C)c1ccc(OC)cc1)c1ccco1 ZINC000272616145 1122207523 /nfs/dbraw/zinc/20/75/23/1122207523.db2.gz XEDIBXSEUYIOSP-CZUORRHYSA-N 0 1 289.375 3.717 20 0 CHADMN CC[C@H](N[C@H](C)c1n[nH]c(C(C)C)n1)c1ccccc1F ZINC000272610222 1122207533 /nfs/dbraw/zinc/20/75/33/1122207533.db2.gz KFNPZBBASMGBJD-RISCZKNCSA-N 0 1 290.386 3.869 20 0 CHADMN COCC[C@@H](NC/C=C/c1ccc(F)cc1)c1ccco1 ZINC000272625041 1122208115 /nfs/dbraw/zinc/20/81/15/1122208115.db2.gz WWEBRLWTXLDVNW-WPTTZPOMSA-N 0 1 289.350 3.799 20 0 CHADMN Fc1ccc2c(c1)OCCN(CCC1CCCCC1)C2 ZINC001183156662 1122211481 /nfs/dbraw/zinc/21/14/81/1122211481.db2.gz OXACMUZDKQLWIL-UHFFFAOYSA-N 0 1 277.383 3.991 20 0 CHADMN CC[C@H](NCc1cc(OC)ccn1)c1ccc(Cl)cc1 ZINC000273253339 1122225772 /nfs/dbraw/zinc/22/57/72/1122225772.db2.gz YMGCKYMAEHJADM-INIZCTEOSA-N 0 1 290.794 3.985 20 0 CHADMN CC1CC(N[C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000273355085 1122229346 /nfs/dbraw/zinc/22/93/46/1122229346.db2.gz NOVMWYAHOHQHCT-QOJXUVEWSA-N 0 1 270.351 3.698 20 0 CHADMN Cc1cc(C)c(/C=C\C[N@H+]2CCO[C@H](C)CC2)c(C)c1 ZINC001183919478 1122248275 /nfs/dbraw/zinc/24/82/75/1122248275.db2.gz LNJWFZNLJQVBIS-KEGWNNHHSA-N 0 1 273.420 3.736 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccccc2)o1 ZINC000414683703 1122265690 /nfs/dbraw/zinc/26/56/90/1122265690.db2.gz PQUDJNMEBYMGAB-CYBMUJFWSA-N 0 1 287.359 3.632 20 0 CHADMN CSc1ccc(CN2CCO[C@@H](C(C)(C)C)CC2)o1 ZINC001184375953 1122273562 /nfs/dbraw/zinc/27/35/62/1122273562.db2.gz XZBNNBRPEJPBDK-CYBMUJFWSA-N 0 1 283.437 3.639 20 0 CHADMN C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000503992103 1122283372 /nfs/dbraw/zinc/28/33/72/1122283372.db2.gz IBEANHSSXRBICX-GRYCIOLGSA-N 0 1 287.325 3.876 20 0 CHADMN C[C@H](c1ccc(C(F)(F)F)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000503992103 1122283378 /nfs/dbraw/zinc/28/33/78/1122283378.db2.gz IBEANHSSXRBICX-GRYCIOLGSA-N 0 1 287.325 3.876 20 0 CHADMN Cc1nn(-c2ccccc2)cc1CNCc1cccc(F)c1 ZINC000073651038 1122303513 /nfs/dbraw/zinc/30/35/13/1122303513.db2.gz KEBAOTZUCXIQFT-UHFFFAOYSA-N 0 1 295.361 3.610 20 0 CHADMN C[C@@]1(c2ccc(Cl)cc2)C[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC001167954031 1122316729 /nfs/dbraw/zinc/31/67/29/1122316729.db2.gz YRGCTBUEPQOPDT-RMHZUWNSSA-N 0 1 291.822 3.686 20 0 CHADMN CCOc1ccc([C@H](C)NCc2cccc(Cl)n2)cc1 ZINC000774835150 1122320327 /nfs/dbraw/zinc/32/03/27/1122320327.db2.gz JLFVKTAHAFFJOT-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN CCOc1cc(C)ccc1CN1CC(C)(C)OC(C)(C)C1 ZINC001250187680 1122340735 /nfs/dbraw/zinc/34/07/35/1122340735.db2.gz PZUCFTZFQZVKQX-UHFFFAOYSA-N 0 1 291.435 3.783 20 0 CHADMN FC(F)(F)c1cnccc1N[C@@H]1C[C@H]1C1CCCCC1 ZINC001185555253 1122346986 /nfs/dbraw/zinc/34/69/86/1122346986.db2.gz MUTKZWGXNWXXDP-SMDDNHRTSA-N 0 1 284.325 3.903 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2cc(F)c(F)c(F)c2)C1 ZINC000505344169 1122358289 /nfs/dbraw/zinc/35/82/89/1122358289.db2.gz NWNZCDRSMDWYHV-AOOOYVTPSA-N 0 1 257.299 3.582 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1Cl)NC1CCCC1 ZINC001185901473 1122365026 /nfs/dbraw/zinc/36/50/26/1122365026.db2.gz ACVQEWGHIRDHQT-UHFFFAOYSA-N 0 1 289.162 3.763 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)NC/C=C\Cl ZINC000774980815 1122377934 /nfs/dbraw/zinc/37/79/34/1122377934.db2.gz KKGCGZZUVDKBHR-PWWFUAJNSA-N 0 1 253.773 3.877 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cc(C)ccn2)cc1F ZINC000514098285 1122379186 /nfs/dbraw/zinc/37/91/86/1122379186.db2.gz FSXHCIDZNFFFBU-OLZOCXBDSA-N 0 1 288.366 3.950 20 0 CHADMN C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H](C)CC1 ZINC000514099923 1122379621 /nfs/dbraw/zinc/37/96/21/1122379621.db2.gz OSQUGVXPAZSJAU-KBPBESRZSA-N 0 1 285.391 3.920 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCC[C@@H](C)F)n2)cc1 ZINC000505443154 1122381694 /nfs/dbraw/zinc/38/16/94/1122381694.db2.gz DBZOWLZRBQRHQY-SNVBAGLBSA-N 0 1 265.357 3.620 20 0 CHADMN Cc1cnc(CN(C)[C@@H](c2ccc(F)cc2)C(C)C)cn1 ZINC000434617827 1122384561 /nfs/dbraw/zinc/38/45/61/1122384561.db2.gz WSIWQCPFRKEVCT-QGZVFWFLSA-N 0 1 287.382 3.753 20 0 CHADMN C[C@@H]1CN(C(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000514228348 1122390683 /nfs/dbraw/zinc/39/06/83/1122390683.db2.gz CUJWBZJBYIPINP-IYBDPMFKSA-N 0 1 281.399 3.885 20 0 CHADMN Cc1ccc(CN2CC(C)(C)[C@H]2c2cccnc2)cc1 ZINC000430082439 1122400526 /nfs/dbraw/zinc/40/05/26/1122400526.db2.gz DZJPWBLBOTXZFA-QGZVFWFLSA-N 0 1 266.388 3.973 20 0 CHADMN CCCn1cc(CN(C)Cc2cccc(C)c2C)cn1 ZINC000430095157 1122403425 /nfs/dbraw/zinc/40/34/25/1122403425.db2.gz OQADFMXYFREOGG-UHFFFAOYSA-N 0 1 271.408 3.542 20 0 CHADMN C[C@H](CCC(C)(C)C)NC(=O)c1cc2[nH]cnc2cc1F ZINC000425170457 1122405078 /nfs/dbraw/zinc/40/50/78/1122405078.db2.gz ADPFMBXADXDMFV-SNVBAGLBSA-N 0 1 291.370 3.647 20 0 CHADMN CC(C)[C@@H]1N(Cc2ccc(Cl)o2)CC12CCC2 ZINC000430107103 1122405726 /nfs/dbraw/zinc/40/57/26/1122405726.db2.gz OXMBCKSBZZJTHH-ZDUSSCGKSA-N 0 1 253.773 3.944 20 0 CHADMN CCOC1(C)CCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC000430109278 1122405607 /nfs/dbraw/zinc/40/56/07/1122405607.db2.gz YUSRZTLFYRWPQQ-UHFFFAOYSA-N 0 1 285.790 3.870 20 0 CHADMN COCC(C)(C)N(C)Cc1cc(C(F)(F)F)ccc1F ZINC000430117427 1122407792 /nfs/dbraw/zinc/40/77/92/1122407792.db2.gz AUBFCZQUFQBQMP-UHFFFAOYSA-N 0 1 293.304 3.701 20 0 CHADMN Cc1ccc([C@@]2(C)CCN(Cc3cscn3)C2)cc1 ZINC000434741627 1122408451 /nfs/dbraw/zinc/40/84/51/1122408451.db2.gz HEFHXVVWWMCFTG-INIZCTEOSA-N 0 1 272.417 3.615 20 0 CHADMN CC(C)CC(C)(C)CNC(=O)c1cc2[nH]cnc2cc1F ZINC000425180173 1122410086 /nfs/dbraw/zinc/41/00/86/1122410086.db2.gz RNMKOOKBMUQJFB-UHFFFAOYSA-N 0 1 291.370 3.504 20 0 CHADMN Cc1cc2cc[nH]c2cc1NC(=O)c1cn[nH]c1C(C)C ZINC000632673197 1129052822 /nfs/dbraw/zinc/05/28/22/1129052822.db2.gz IFEYQDFEXOOBGN-UHFFFAOYSA-N 0 1 282.347 3.575 20 0 CHADMN Fc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000434787738 1122413481 /nfs/dbraw/zinc/41/34/81/1122413481.db2.gz KOPBIEQNFSBBMX-ZDUSSCGKSA-N 0 1 296.817 3.586 20 0 CHADMN c1cc(-c2ccc(CN3CC[C@@H]3c3ccccc3)o2)n[nH]1 ZINC000434831633 1122416592 /nfs/dbraw/zinc/41/65/92/1122416592.db2.gz AKHWIRIEPQCGSU-MRXNPFEDSA-N 0 1 279.343 3.617 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](c2ccccc2)C2CC2)nn1C ZINC000282350732 1122426348 /nfs/dbraw/zinc/42/63/48/1122426348.db2.gz VSJMJCSJRGCSSP-GUYCJALGSA-N 0 1 269.392 3.530 20 0 CHADMN CC1(C)CCC[C@H]1NCc1noc(-c2ccccc2F)n1 ZINC000435032713 1122430090 /nfs/dbraw/zinc/43/00/90/1122430090.db2.gz GNQYIFSUXNGDRD-CYBMUJFWSA-N 0 1 289.354 3.544 20 0 CHADMN Cc1cc(Cl)nc(CN[C@@H](C)c2ccsc2)c1 ZINC000282963941 1122442817 /nfs/dbraw/zinc/44/28/17/1122442817.db2.gz ZUZGBVULHZDOOH-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN CC(C)C[C@H](NC(=O)c1n[nH]cc1Cl)c1ccccc1 ZINC001187845509 1122444057 /nfs/dbraw/zinc/44/40/57/1122444057.db2.gz HVMWZPMVYOUBCR-ZDUSSCGKSA-N 0 1 291.782 3.580 20 0 CHADMN C[C@H]1CC[C@H](CO)CN1Cc1cc(Cl)ccc1Cl ZINC000135728616 1122444437 /nfs/dbraw/zinc/44/44/37/1122444437.db2.gz FLZFJIJNLUOOJE-QWRGUYRKSA-N 0 1 288.218 3.586 20 0 CHADMN COc1cccc(CN(C)Cc2cc(F)cc(F)c2)c1 ZINC000505630525 1122445486 /nfs/dbraw/zinc/44/54/86/1122445486.db2.gz DOBHXEVYNYHFNJ-UHFFFAOYSA-N 0 1 277.314 3.605 20 0 CHADMN CCc1ccc(CNCc2cnn(-c3ccccc3)c2)cc1 ZINC000075758587 1122447649 /nfs/dbraw/zinc/44/76/49/1122447649.db2.gz AHLUYYPGSIKVLX-UHFFFAOYSA-N 0 1 291.398 3.725 20 0 CHADMN CC[C@H]1CO[C@H](C)CN1Cc1c(C)oc2ccccc21 ZINC000505643283 1122448667 /nfs/dbraw/zinc/44/86/67/1122448667.db2.gz YYBDFIGWTFPYCN-OCCSQVGLSA-N 0 1 273.376 3.741 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1Cc1c(C)oc2ccccc21 ZINC000505643281 1122448686 /nfs/dbraw/zinc/44/86/86/1122448686.db2.gz YYBDFIGWTFPYCN-GXTWGEPZSA-N 0 1 273.376 3.741 20 0 CHADMN COc1ccc2nc(SCSC(C)C)[nH]c2c1 ZINC001187987920 1122449336 /nfs/dbraw/zinc/44/93/36/1122449336.db2.gz XIUGKJKJGUMCIL-UHFFFAOYSA-N 0 1 268.407 3.763 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1cccc(-c2ccccc2C)c1 ZINC001188059319 1122452974 /nfs/dbraw/zinc/45/29/74/1122452974.db2.gz YGURLVOFNSBLFC-UHFFFAOYSA-N 0 1 291.354 3.946 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccccc1SC(C)(C)C ZINC001188059854 1122453025 /nfs/dbraw/zinc/45/30/25/1122453025.db2.gz VXOJVYQFYGXJQB-UHFFFAOYSA-N 0 1 289.404 3.861 20 0 CHADMN CC(C)n1cncc1CN(Cc1cccc(O)c1)CC1CC1 ZINC000425326459 1122453122 /nfs/dbraw/zinc/45/31/22/1122453122.db2.gz NRIOIWWBXLZRGI-UHFFFAOYSA-N 0 1 299.418 3.582 20 0 CHADMN COc1ccccc1[C@H]1CCCN1Cc1cncn1C(C)C ZINC000425323623 1122454140 /nfs/dbraw/zinc/45/41/40/1122454140.db2.gz JBVNBMZOHJWXRJ-QGZVFWFLSA-N 0 1 299.418 3.810 20 0 CHADMN CC(C)n1cncc1CN1CC=C(C(C)(C)C)CC1 ZINC000425339326 1122457241 /nfs/dbraw/zinc/45/72/41/1122457241.db2.gz RYHXJFRPGNEYBY-UHFFFAOYSA-N 0 1 261.413 3.642 20 0 CHADMN Cc1cccc(CN2CCn3cccc3[C@@H]2C)c1C ZINC000505684932 1122463543 /nfs/dbraw/zinc/46/35/43/1122463543.db2.gz TWBKLFBJJDUDCM-HNNXBMFYSA-N 0 1 254.377 3.682 20 0 CHADMN Fc1cccc(CN(Cc2ccc3c(n2)CCC3)C2CC2)c1 ZINC000515135538 1122479310 /nfs/dbraw/zinc/47/93/10/1122479310.db2.gz LXYKMZJACLQYQA-UHFFFAOYSA-N 0 1 296.389 3.874 20 0 CHADMN COc1cccc(-c2nc3ccc(SC)cc3[nH]2)c1 ZINC000435681518 1122481610 /nfs/dbraw/zinc/48/16/10/1122481610.db2.gz BHBAVKCESNBYLW-UHFFFAOYSA-N 0 1 270.357 3.960 20 0 CHADMN CC(C)c1nc(CS[C@@H]2CCOc3ccccc32)n[nH]1 ZINC001188941621 1122482197 /nfs/dbraw/zinc/48/21/97/1122482197.db2.gz NHRSPLSHVWTZDJ-CYBMUJFWSA-N 0 1 289.404 3.685 20 0 CHADMN CCC[C@H](C)N(C)Cc1csc(Nc2ccccc2)n1 ZINC000515194435 1122483578 /nfs/dbraw/zinc/48/35/78/1122483578.db2.gz MHAFMFYSTCNPHH-ZDUSSCGKSA-N 0 1 289.448 3.929 20 0 CHADMN CCCn1c2ccccc2nc1CN(C)CC1CCC1 ZINC000435768450 1122488481 /nfs/dbraw/zinc/48/84/81/1122488481.db2.gz QCEUHFQJJUXAEU-UHFFFAOYSA-N 0 1 271.408 3.678 20 0 CHADMN CCOc1cc(CN2C[C@H](C)C[C@H](C)C2)c(Cl)cn1 ZINC001250318269 1122492183 /nfs/dbraw/zinc/49/21/83/1122492183.db2.gz DAEFOEMAHWFRAL-TXEJJXNPSA-N 0 1 282.815 3.612 20 0 CHADMN CO[C@H](CN1CCCC[C@@H]1c1nc2ccccc2[nH]1)C1CC1 ZINC000425470914 1122515390 /nfs/dbraw/zinc/51/53/90/1122515390.db2.gz FWHBDOVPBKSXMJ-IAGOWNOFSA-N 0 1 299.418 3.515 20 0 CHADMN C[C@@H](c1ccccn1)N(C)C[C@@]1(C)CC1(Cl)Cl ZINC000828524844 1122522155 /nfs/dbraw/zinc/52/21/55/1122522155.db2.gz RIIKELGJYAZGSD-CMPLNLGQSA-N 0 1 273.207 3.658 20 0 CHADMN COc1cc(Cl)ccc1NCc1[nH]nc2ccccc21 ZINC000775348666 1122525690 /nfs/dbraw/zinc/52/56/90/1122525690.db2.gz IEAMRWRVRSWUNZ-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN Cc1nc(-c2cc([C@@H](C)NCCF)cs2)cs1 ZINC000436286587 1122531242 /nfs/dbraw/zinc/53/12/42/1122531242.db2.gz BJLDAPRWDMKAPG-MRVPVSSYSA-N 0 1 270.398 3.800 20 0 CHADMN CC(C)CC[C@H](O)CN(Cc1ccc(F)cc1F)C1CC1 ZINC001190384024 1122534772 /nfs/dbraw/zinc/53/47/72/1122534772.db2.gz VXYXMEYOUIZAGV-INIZCTEOSA-N 0 1 297.389 3.726 20 0 CHADMN C[C@@H](NCCF)c1cccc(OCc2ccccc2)c1 ZINC000436302482 1122536453 /nfs/dbraw/zinc/53/64/53/1122536453.db2.gz ALRZJRBPNZKYCJ-CQSZACIVSA-N 0 1 273.351 3.886 20 0 CHADMN FCCN[C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000436306165 1122536671 /nfs/dbraw/zinc/53/66/71/1122536671.db2.gz JRRCVCUHHFTUTN-HNNXBMFYSA-N 0 1 278.758 3.578 20 0 CHADMN CC[C@@](C)(NCc1ncc(C)s1)c1ccccc1 ZINC000775387794 1122538058 /nfs/dbraw/zinc/53/80/58/1122538058.db2.gz MIMRPLIPKVJAJB-OAHLLOKOSA-N 0 1 260.406 3.867 20 0 CHADMN COc1cccc(CN(C)[C@H](C)c2ccco2)c1C ZINC001190615984 1122544079 /nfs/dbraw/zinc/54/40/79/1122544079.db2.gz KOAGDEDXTYSEJM-CYBMUJFWSA-N 0 1 259.349 3.790 20 0 CHADMN CCCCNC(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001190615744 1122544647 /nfs/dbraw/zinc/54/46/47/1122544647.db2.gz KFDZYZLYCKBFQJ-UHFFFAOYSA-N 0 1 277.151 3.621 20 0 CHADMN CC1(C)C[C@@H](c2ccccc2)N(Cc2ccon2)C1 ZINC000425538723 1122544783 /nfs/dbraw/zinc/54/47/83/1122544783.db2.gz IZHDDRQSAAZDRV-HNNXBMFYSA-N 0 1 256.349 3.648 20 0 CHADMN CCN(CCN(C)c1ccccc1)Cc1ccccc1F ZINC001190627274 1122549114 /nfs/dbraw/zinc/54/91/14/1122549114.db2.gz GUUYIYNADWVYGG-UHFFFAOYSA-N 0 1 286.394 3.784 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C2(CC)CCC2)c1 ZINC000436653329 1122567976 /nfs/dbraw/zinc/56/79/76/1122567976.db2.gz UHKQCQYGRWSCLI-UHFFFAOYSA-N 0 1 275.348 3.504 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H]2CCC(C)(C)C2)c1 ZINC000436646786 1122568919 /nfs/dbraw/zinc/56/89/19/1122568919.db2.gz PCTSSEOUVRKEOS-LBPRGKRZSA-N 0 1 289.375 3.750 20 0 CHADMN C[C@@H](c1ccccc1)N(C(=O)c1c(O)cccc1F)C1CC1 ZINC000436645098 1122569085 /nfs/dbraw/zinc/56/90/85/1122569085.db2.gz AQAKYORVJXMGIH-LBPRGKRZSA-N 0 1 299.345 3.897 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2cnn(-c3ccccc3)n2)CC1 ZINC001191049210 1122571192 /nfs/dbraw/zinc/57/11/92/1122571192.db2.gz ZWSMGTNKXPJHCJ-INIZCTEOSA-N 0 1 298.434 3.525 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000505864041 1122573818 /nfs/dbraw/zinc/57/38/18/1122573818.db2.gz IWCJLLOIXFYBMJ-MGPQQGTHSA-N 0 1 297.402 3.583 20 0 CHADMN COC[C@@H](NC/C=C/Cl)c1cccc(C(F)(F)F)c1 ZINC000775442689 1122581945 /nfs/dbraw/zinc/58/19/45/1122581945.db2.gz IGHIGBSUSJXOIW-MJRJWQSSSA-N 0 1 293.716 3.735 20 0 CHADMN CC[C@]1(C)CCCN(Cc2cc(F)ccc2F)C1 ZINC001191213712 1122583527 /nfs/dbraw/zinc/58/35/27/1122583527.db2.gz JWECDEHHPGFZGY-OAHLLOKOSA-N 0 1 253.336 3.977 20 0 CHADMN CCOC(=O)/C=C\CN1CCCCC[C@@H]1c1ccc(C)o1 ZINC001191176741 1122583633 /nfs/dbraw/zinc/58/36/33/1122583633.db2.gz ZHMYDGPMANCJGO-SOIVGHGOSA-N 0 1 291.391 3.624 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C2(CC)CCCC2)c1 ZINC000436837199 1122585408 /nfs/dbraw/zinc/58/54/08/1122585408.db2.gz OFJILJNXIRRLSF-UHFFFAOYSA-N 0 1 289.375 3.894 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2csc(NCC)n2)C1 ZINC001191259426 1122585874 /nfs/dbraw/zinc/58/58/74/1122585874.db2.gz VUKAJHJNPGXCKV-OAHLLOKOSA-N 0 1 281.469 3.977 20 0 CHADMN Oc1cccc2c1C[C@@H](Nc1ccnc3cc(F)ccc31)C2 ZINC000436839827 1122588329 /nfs/dbraw/zinc/58/83/29/1122588329.db2.gz QKLNAKFXLHMKCC-ZDUSSCGKSA-N 0 1 294.329 3.659 20 0 CHADMN Oc1cccnc1C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000516347270 1122590778 /nfs/dbraw/zinc/59/07/78/1122590778.db2.gz SBIZLIJHZDYYGM-SFHVURJKSA-N 0 1 294.398 3.829 20 0 CHADMN C[C@@H]1CCCC[N@@H+]1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000505893287 1122591269 /nfs/dbraw/zinc/59/12/69/1122591269.db2.gz CKWMQBBBCZDVAV-NWDGAFQWSA-N 0 1 264.438 3.642 20 0 CHADMN C[C@@H]1CCCCN1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000505893287 1122591272 /nfs/dbraw/zinc/59/12/72/1122591272.db2.gz CKWMQBBBCZDVAV-NWDGAFQWSA-N 0 1 264.438 3.642 20 0 CHADMN C[N@@H+](Cc1cnc(C2CCCCC2)s1)[C@@H]1CCC[C@H]1O ZINC000516347628 1122591534 /nfs/dbraw/zinc/59/15/34/1122591534.db2.gz DXSXSMNJENGKBC-HUUCEWRRSA-N 0 1 294.464 3.536 20 0 CHADMN O=C(Nc1ccc2ccoc2c1)c1c(O)cccc1F ZINC000436911656 1122593403 /nfs/dbraw/zinc/59/34/03/1122593403.db2.gz UUANQTSWAANQJU-UHFFFAOYSA-N 0 1 271.247 3.530 20 0 CHADMN Fc1cccc(F)c1CCN1CC[C@H]1c1ccccc1 ZINC001191391367 1122595535 /nfs/dbraw/zinc/59/55/35/1122595535.db2.gz XJCNQHDPSOUEHI-KRWDZBQOSA-N 0 1 273.326 3.954 20 0 CHADMN CCOc1cc(CN2CCC(C)CC2)cc(Cl)c1OC ZINC000505902368 1122595619 /nfs/dbraw/zinc/59/56/19/1122595619.db2.gz FMQMIGPTGCBZKN-UHFFFAOYSA-N 0 1 297.826 3.979 20 0 CHADMN Cn1c2cc(Cl)ccc2nc1-c1cc(F)c(O)c(F)c1 ZINC000436949483 1122596556 /nfs/dbraw/zinc/59/65/56/1122596556.db2.gz KPUWCMYDLGNKTE-UHFFFAOYSA-N 0 1 294.688 3.878 20 0 CHADMN Cc1ccc(F)cc1NC(=O)Nc1cc(O)c(F)c(F)c1 ZINC001191411217 1122598704 /nfs/dbraw/zinc/59/87/04/1122598704.db2.gz GWBUACCOWCYPQZ-UHFFFAOYSA-N 0 1 296.248 3.762 20 0 CHADMN COC(=O)c1cccc(CN2CCc3ccccc3[C@H]2C)c1 ZINC001191477230 1122600705 /nfs/dbraw/zinc/60/07/05/1122600705.db2.gz WEWNCCCCWHQGKM-CQSZACIVSA-N 0 1 295.382 3.593 20 0 CHADMN CC(C)[C@@H]1N(C(=O)c2ccc(O)c(Cl)c2)CC1(C)C ZINC000437000658 1122603818 /nfs/dbraw/zinc/60/38/18/1122603818.db2.gz AJMSSKNUUTVIMM-ZDUSSCGKSA-N 0 1 281.783 3.552 20 0 CHADMN Cc1ncc(CN[C@H](C)c2oc3ccccc3c2C)n1C ZINC000516492533 1122604737 /nfs/dbraw/zinc/60/47/37/1122604737.db2.gz MQUSLCCSKZHLDG-GFCCVEGCSA-N 0 1 283.375 3.634 20 0 CHADMN CN(Cc1cccc(F)c1Br)CC1CCC1 ZINC000158055355 1122616501 /nfs/dbraw/zinc/61/65/01/1122616501.db2.gz DXFIGXGSPNKDNO-UHFFFAOYSA-N 0 1 286.188 3.820 20 0 CHADMN Fc1ccc([C@H](N[C@@H]2CCC[C@@H](F)C2)c2ncc[nH]2)cc1 ZINC000516650326 1122618762 /nfs/dbraw/zinc/61/87/62/1122618762.db2.gz KAYQAABINZLCDG-KFWWJZLASA-N 0 1 291.345 3.509 20 0 CHADMN Cc1cc(C)c(CN2CCO[C@@H](c3ccncc3)C2)c(C)c1 ZINC001203746248 1122621394 /nfs/dbraw/zinc/62/13/94/1122621394.db2.gz MPEJIRPHMNTLTE-LJQANCHMSA-N 0 1 296.414 3.580 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(F)c(C)c2)cc1F ZINC000505999669 1122622921 /nfs/dbraw/zinc/62/29/21/1122622921.db2.gz LKKFEFZMXSXMJA-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN Cc1ccn2cc(CN[C@@H]3C[C@H](C)c4ccccc43)nc2c1 ZINC000289345829 1122627257 /nfs/dbraw/zinc/62/72/57/1122627257.db2.gz XLXZOXPWWVMDNO-KBXCAEBGSA-N 0 1 291.398 3.981 20 0 CHADMN CC(C)OC(=O)[C@@H](C)N(C)CCC1CCCCCC1 ZINC001192202301 1122633186 /nfs/dbraw/zinc/63/31/86/1122633186.db2.gz ZNBXORYBHXVYLJ-CQSZACIVSA-N 0 1 269.429 3.619 20 0 CHADMN CN1CCC[C@H](Oc2ccc(C(F)(F)F)cc2Cl)C1 ZINC001225921107 1122640438 /nfs/dbraw/zinc/64/04/38/1122640438.db2.gz RXMMHGSIVRPCEM-JTQLQIEISA-N 0 1 293.716 3.832 20 0 CHADMN C[C@H](c1ccco1)N(C)Cc1c[nH]nc1-c1ccsc1 ZINC000437575809 1122641273 /nfs/dbraw/zinc/64/12/73/1122641273.db2.gz GSUVNMFXTSEBAQ-LLVKDONJSA-N 0 1 287.388 3.924 20 0 CHADMN CCN(Cc1ccc(Cl)cc1)Cc1ccc(OC)nc1 ZINC000437574129 1122641421 /nfs/dbraw/zinc/64/14/21/1122641421.db2.gz ANJIZEDYXDTYNK-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN CCC(CC)n1ccc(CN2CCC[C@H](CC)C2)n1 ZINC000437581162 1122643453 /nfs/dbraw/zinc/64/34/53/1122643453.db2.gz VKKJQEYRZHGLMQ-AWEZNQCLSA-N 0 1 263.429 3.866 20 0 CHADMN Cc1ccc(N[C@@H](C)CCCC(F)(F)F)c(N(C)C)n1 ZINC000775541223 1122654095 /nfs/dbraw/zinc/65/40/95/1122654095.db2.gz UKRHZGQJZDCCCU-JTQLQIEISA-N 0 1 289.345 3.989 20 0 CHADMN Cc1ccccc1OCCN(C)Cc1ccc(Cl)o1 ZINC000506125928 1122654812 /nfs/dbraw/zinc/65/48/12/1122654812.db2.gz PFHGCZVABOWGGF-UHFFFAOYSA-N 0 1 279.767 3.752 20 0 CHADMN Clc1ccc2c(c1)CN(C[C@@H]1CC[C@H](C3CC3)O1)CC2 ZINC001192919711 1122663108 /nfs/dbraw/zinc/66/31/08/1122663108.db2.gz YXRXCPZJNMMJBS-DLBZAZTESA-N 0 1 291.822 3.656 20 0 CHADMN Cc1cccc(CCCN2CCOCC23CCCC3)c1 ZINC001193012419 1122669726 /nfs/dbraw/zinc/66/97/26/1122669726.db2.gz RFJUINUJMVUXCM-UHFFFAOYSA-N 0 1 273.420 3.573 20 0 CHADMN C[C@@H](c1ccncc1)N(C)Cc1cc2c(cccc2F)[nH]1 ZINC000437981220 1122669645 /nfs/dbraw/zinc/66/96/45/1122669645.db2.gz BPYKYWSHPOIMKS-LBPRGKRZSA-N 0 1 283.350 3.895 20 0 CHADMN Clc1ccccc1CCCN1CCOCC12CCCC2 ZINC001193010813 1122669937 /nfs/dbraw/zinc/66/99/37/1122669937.db2.gz AIAHZHUTGJBMST-UHFFFAOYSA-N 0 1 293.838 3.918 20 0 CHADMN CCN(Cc1c[nH]nc1-c1ccsc1)Cc1ccccn1 ZINC000438113825 1122680543 /nfs/dbraw/zinc/68/05/43/1122680543.db2.gz GXNQOLXCPNMCQV-UHFFFAOYSA-N 0 1 298.415 3.555 20 0 CHADMN Cc1ccc(CN2CC[C@H](C)C(C)(C)C2)nc1Cl ZINC001193208768 1122680900 /nfs/dbraw/zinc/68/09/00/1122680900.db2.gz DBDBTGCHNGMYPQ-LBPRGKRZSA-N 0 1 266.816 3.911 20 0 CHADMN Cc1cc(F)ccc1CN1Cc2ccccc2OC[C@H]1C ZINC001193309981 1122684263 /nfs/dbraw/zinc/68/42/63/1122684263.db2.gz MJDIEBDPQHYFMD-CQSZACIVSA-N 0 1 285.362 3.917 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)[C@H](C)[C@H](C)O1 ZINC000438360927 1122694462 /nfs/dbraw/zinc/69/44/62/1122694462.db2.gz DSAYAINDPFBVEB-OAGGEKHMSA-N 0 1 296.414 3.746 20 0 CHADMN Fc1cc2nc(-c3ncccc3F)[nH]c2c(C(F)(F)F)c1 ZINC001250526285 1122702118 /nfs/dbraw/zinc/70/21/18/1122702118.db2.gz VUEORJGXFYXSKC-UHFFFAOYSA-N 0 1 299.202 3.922 20 0 CHADMN CCc1cnc(CN[C@H](CC(F)(F)F)C(C)C)s1 ZINC000438478134 1122702479 /nfs/dbraw/zinc/70/24/79/1122702479.db2.gz NVTQAGIOOYVZBD-SNVBAGLBSA-N 0 1 280.359 3.772 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C(C)(C)C(C)(C)C ZINC000506269535 1122707594 /nfs/dbraw/zinc/70/75/94/1122707594.db2.gz OTDPUSFARYGZNT-UHFFFAOYSA-N 0 1 273.380 3.882 20 0 CHADMN CC(C)c1ccc(NC(=O)c2cccc3nc[nH]c32)cc1 ZINC000438576607 1122711479 /nfs/dbraw/zinc/71/14/79/1122711479.db2.gz JGKQYWCEGSXYCA-UHFFFAOYSA-N 0 1 279.343 3.939 20 0 CHADMN O=C(C/C=C/c1ccccc1F)Nc1ccc2nc[nH]c2c1 ZINC000426115430 1122718335 /nfs/dbraw/zinc/71/83/35/1122718335.db2.gz BIMDVYQBZJGXOD-HWKANZROSA-N 0 1 295.317 3.744 20 0 CHADMN CCC(C)(C)CCNC1(c2noc(C)n2)CCCCC1 ZINC000438720591 1122720582 /nfs/dbraw/zinc/72/05/82/1122720582.db2.gz AWNLLJXUTBNRHI-UHFFFAOYSA-N 0 1 279.428 3.953 20 0 CHADMN Cc1ccc(C)c(CN2CCO[C@@H](c3ccccc3)C2)c1 ZINC000506353821 1122724438 /nfs/dbraw/zinc/72/44/38/1122724438.db2.gz STQBTGPESRCWDA-LJQANCHMSA-N 0 1 281.399 3.877 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCCN1C/C=C/c1ccncc1 ZINC000426164822 1122725894 /nfs/dbraw/zinc/72/58/94/1122725894.db2.gz ZSAAXOXBHSYEIQ-FGXQHOCZSA-N 0 1 284.325 3.758 20 0 CHADMN Cc1ccc(C(=O)Nc2cc(Cl)c(C)c(Cl)c2O)[nH]1 ZINC001193908876 1122728802 /nfs/dbraw/zinc/72/88/02/1122728802.db2.gz FYJQWVQYIGADBT-UHFFFAOYSA-N 0 1 299.157 3.896 20 0 CHADMN Cc1ccc(F)c(CN(C)C[C@@H]2CC3(CCC3)CO2)c1 ZINC001193904998 1122728962 /nfs/dbraw/zinc/72/89/62/1122728962.db2.gz DIHYUZQCSCCRFU-HNNXBMFYSA-N 0 1 277.383 3.525 20 0 CHADMN C[C@@H]1CN(Cc2cccc(C(C)(C)C)c2)C[C@@H](C2CC2)O1 ZINC001193976961 1122733345 /nfs/dbraw/zinc/73/33/45/1122733345.db2.gz OHWJMRIMXDWXHR-KDOFPFPSSA-N 0 1 287.447 3.983 20 0 CHADMN CC(C)Cc1ccc([C@@H](NCc2ccn(C)n2)C2CC2)cc1 ZINC000294968080 1122739177 /nfs/dbraw/zinc/73/91/77/1122739177.db2.gz KQNNJBPZXIFTFL-LJQANCHMSA-N 0 1 297.446 3.860 20 0 CHADMN FC(F)(F)c1cnc(CNc2ccc3c(n2)CCC3)s1 ZINC000294934231 1122739535 /nfs/dbraw/zinc/73/95/35/1122739535.db2.gz UVYSVFSXVRKGNN-UHFFFAOYSA-N 0 1 299.321 3.658 20 0 CHADMN O=C(NC1=NCC(=O)C=C1Cl)Oc1ccc(Cl)cc1 ZINC001194036933 1122740775 /nfs/dbraw/zinc/74/07/75/1122740775.db2.gz WQMISAVNWRQYOR-UHFFFAOYSA-N 0 1 299.113 3.705 20 0 CHADMN CCCc1csc(CN(C)[C@@H](C)CCSC)n1 ZINC000426400622 1122783343 /nfs/dbraw/zinc/78/33/43/1122783343.db2.gz JGRAATNIXYKUJZ-NSHDSACASA-N 0 1 272.483 3.669 20 0 CHADMN COc1ccc(-c2ccc(Cl)c(O)c2F)cc1 ZINC001250558412 1122754822 /nfs/dbraw/zinc/75/48/22/1122754822.db2.gz IHJSAUYXMZDAKQ-UHFFFAOYSA-N 0 1 252.672 3.860 20 0 CHADMN CC[C@H](NCc1occc1C)c1cccc(OC)c1 ZINC000426300895 1122759798 /nfs/dbraw/zinc/75/97/98/1122759798.db2.gz KHIRVIUQBSDSQK-HNNXBMFYSA-N 0 1 259.349 3.838 20 0 CHADMN Oc1cccnc1C[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000518617501 1122773538 /nfs/dbraw/zinc/77/35/38/1122773538.db2.gz RIECYZALVWGLNJ-KRWDZBQOSA-N 0 1 296.414 3.775 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000518617501 1122773540 /nfs/dbraw/zinc/77/35/40/1122773540.db2.gz RIECYZALVWGLNJ-KRWDZBQOSA-N 0 1 296.414 3.775 20 0 CHADMN [O-]c1cccnc1C[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000518617501 1122773543 /nfs/dbraw/zinc/77/35/43/1122773543.db2.gz RIECYZALVWGLNJ-KRWDZBQOSA-N 0 1 296.414 3.775 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CCCO[C@@H](CC)C1 ZINC000439473384 1122781799 /nfs/dbraw/zinc/78/17/99/1122781799.db2.gz LPYQAGUOLCFXGO-XJKSGUPXSA-N 0 1 283.362 3.917 20 0 CHADMN COc1ccc(OC(=O)Nc2cccc(Cl)c2O)cc1 ZINC001194532717 1122782105 /nfs/dbraw/zinc/78/21/05/1122782105.db2.gz AMTITPKUIQHLIM-UHFFFAOYSA-N 0 1 293.706 3.665 20 0 CHADMN Cc1cccc2c1CC(C)(C)N(Cc1n[nH]c(C(C)C)n1)C2 ZINC001194551660 1122782861 /nfs/dbraw/zinc/78/28/61/1122782861.db2.gz KEFPHSRGYBZYDA-UHFFFAOYSA-N 0 1 298.434 3.573 20 0 CHADMN Cc1cccc2nc(CCc3ccc(F)cc3)[nH]c21 ZINC001250578714 1122784152 /nfs/dbraw/zinc/78/41/52/1122784152.db2.gz QZXYXGFPOLVJBP-UHFFFAOYSA-N 0 1 254.308 3.796 20 0 CHADMN CC[C@H]1CN([C@@H](C)c2ccc(F)cc2F)CCCO1 ZINC000439485321 1122786012 /nfs/dbraw/zinc/78/60/12/1122786012.db2.gz HXGVHNQJGRFGQX-AAEUAGOBSA-N 0 1 269.335 3.527 20 0 CHADMN CCCc1csc(CN2CC[C@@](C)(CC)C2)n1 ZINC000426417467 1122788721 /nfs/dbraw/zinc/78/87/21/1122788721.db2.gz RPUZTBFCSPXYKD-CQSZACIVSA-N 0 1 252.427 3.718 20 0 CHADMN CC(C)C[C@H]1COCCN1CCSc1ccc(F)cc1 ZINC000506613626 1122790843 /nfs/dbraw/zinc/79/08/43/1122790843.db2.gz VLODLFKPEGWXSO-HNNXBMFYSA-N 0 1 297.439 3.665 20 0 CHADMN CC(C)C[C@@H]1COCCN1CCSc1ccc(F)cc1 ZINC000506613627 1122791050 /nfs/dbraw/zinc/79/10/50/1122791050.db2.gz VLODLFKPEGWXSO-OAHLLOKOSA-N 0 1 297.439 3.665 20 0 CHADMN c1nnc([C@H]([NH2+]CC2=CCCCC2)C2CCCCC2)[n-]1 ZINC000297414847 1122794018 /nfs/dbraw/zinc/79/40/18/1122794018.db2.gz UGLWCWSSNBSDLF-OAHLLOKOSA-N 0 1 274.412 3.516 20 0 CHADMN CN(Cc1ccccc1F)[C@H]1CCc2ccccc21 ZINC000506691377 1122807521 /nfs/dbraw/zinc/80/75/21/1122807521.db2.gz YRCOBDSXVHCQCQ-KRWDZBQOSA-N 0 1 255.336 3.945 20 0 CHADMN Fc1cccc(F)c1CCN1CCCc2occc2C1 ZINC001194865153 1122813756 /nfs/dbraw/zinc/81/37/56/1122813756.db2.gz QRUHAKSSKXCBHS-UHFFFAOYSA-N 0 1 277.314 3.549 20 0 CHADMN Fc1ccc2c(c1)CN(Cc1cccc3[nH]ccc31)CCO2 ZINC000426534968 1122814884 /nfs/dbraw/zinc/81/48/84/1122814884.db2.gz ZUEXAHNHFYTPMW-UHFFFAOYSA-N 0 1 296.345 3.702 20 0 CHADMN COc1ccc(CN2CCc3sccc3[C@H]2C)cc1 ZINC000506736364 1122817827 /nfs/dbraw/zinc/81/78/27/1122817827.db2.gz QZFFOMQOCWCKQK-GFCCVEGCSA-N 0 1 273.401 3.876 20 0 CHADMN CCCCCCN[C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000775622731 1122827197 /nfs/dbraw/zinc/82/71/97/1122827197.db2.gz GQJCMURZHXUIEW-QGZVFWFLSA-N 0 1 289.398 3.819 20 0 CHADMN CCC(CC)c1cc(CN[C@H]2CS[C@H](C)C2)on1 ZINC000638689593 1122831329 /nfs/dbraw/zinc/83/13/29/1122831329.db2.gz MHBMKWJYSJLGJG-ZYHUDNBSSA-N 0 1 268.426 3.562 20 0 CHADMN c1cc(NCC2(CC3CC3)CCOCC2)nc2c1CCC2 ZINC001161648677 1122833556 /nfs/dbraw/zinc/83/35/56/1122833556.db2.gz RVXJWQDSIMONTQ-UHFFFAOYSA-N 0 1 286.419 3.579 20 0 CHADMN O=C([O-])CCCCC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000519413067 1122835570 /nfs/dbraw/zinc/83/55/70/1122835570.db2.gz ZDVGMMZQPIOIAC-UHFFFAOYSA-N 0 1 297.345 3.574 20 0 CHADMN Cc1cccc2nc(CNC(=O)[C@@H]3CCC(C)=C(C)C3)[nH]c21 ZINC000519404225 1122835924 /nfs/dbraw/zinc/83/59/24/1122835924.db2.gz IFUAEBRWLBHMAB-CQSZACIVSA-N 0 1 297.402 3.624 20 0 CHADMN CCCC[C@@H](C)N(CCCC)C(=O)c1cc(CC)[nH]n1 ZINC000519457166 1122839962 /nfs/dbraw/zinc/83/99/62/1122839962.db2.gz MOTUYZOQMBLZPB-CYBMUJFWSA-N 0 1 279.428 3.793 20 0 CHADMN CCn1cc(CN(C)[C@H](C)c2ccc3c(c2)CCC3)cn1 ZINC000519520017 1122847790 /nfs/dbraw/zinc/84/77/90/1122847790.db2.gz DWPNSVJBLXPTFF-CQSZACIVSA-N 0 1 283.419 3.585 20 0 CHADMN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1ocnc1C ZINC000894420492 1122850108 /nfs/dbraw/zinc/85/01/08/1122850108.db2.gz NNGHNWXXKZKBMH-NHYWBVRUSA-N 0 1 294.782 3.502 20 0 CHADMN Cc1ncoc1CN1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000894431620 1122851752 /nfs/dbraw/zinc/85/17/52/1122851752.db2.gz VKQNOZSESRMNJA-UHFFFAOYSA-N 0 1 282.387 3.889 20 0 CHADMN C[C@H]1CC(C)(C)CN1Cc1ccn(-c2ccccc2F)n1 ZINC001195195850 1122854254 /nfs/dbraw/zinc/85/42/54/1122854254.db2.gz IAQSWFYEZQFCLQ-ZDUSSCGKSA-N 0 1 287.382 3.632 20 0 CHADMN Cc1ccc(F)c(S(=O)(=O)Nc2c(C)cccc2C)c1 ZINC000048653319 1122860293 /nfs/dbraw/zinc/86/02/93/1122860293.db2.gz XHSRAATYQUHUJE-UHFFFAOYSA-N 0 1 293.363 3.552 20 0 CHADMN FC(F)(F)C(F)(F)c1ccc(NCc2cnc[nH]2)cc1 ZINC000894480888 1122860932 /nfs/dbraw/zinc/86/09/32/1122860932.db2.gz RKDXFECGRCKVMR-UHFFFAOYSA-N 0 1 291.223 3.676 20 0 CHADMN CC[C@H]1CN(Cc2ccccc2CF)C[C@H](CC)O1 ZINC001195300839 1122863440 /nfs/dbraw/zinc/86/34/40/1122863440.db2.gz WHTZSETWBMKETK-HOTGVXAUSA-N 0 1 265.372 3.546 20 0 CHADMN CC1(C)CN(C[C@@H]2CCC(F)(F)C2)[C@H]1c1cccnc1 ZINC000664824693 1122865179 /nfs/dbraw/zinc/86/51/79/1122865179.db2.gz XGWRFUORQDOQHT-OCCSQVGLSA-N 0 1 280.362 3.900 20 0 CHADMN C[C@H](C(=O)NC(C)(C)C)N(C)Cc1cccc2ccccc21 ZINC000053017190 1122866322 /nfs/dbraw/zinc/86/63/22/1122866322.db2.gz YUUSPEOCUDUBNL-CQSZACIVSA-N 0 1 298.430 3.575 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1nccn1C1CC1)CCC2 ZINC000894520331 1122866734 /nfs/dbraw/zinc/86/67/34/1122866734.db2.gz KTNGUDOTTUREFH-KRWDZBQOSA-N 0 1 281.403 3.694 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@@H+](CC[C@H](C(=O)[O-])c2ccccc2)C1 ZINC000519555838 1122868218 /nfs/dbraw/zinc/86/82/18/1122868218.db2.gz ZDUSGVDKUCEGHV-VYDXJSESSA-N 0 1 289.419 3.755 20 0 CHADMN Cc1ccc(-n2ncc(NCc3cnc[nH]3)c2C(C)C)cc1 ZINC000894548600 1122872129 /nfs/dbraw/zinc/87/21/29/1122872129.db2.gz NEVFNGBXAJZDNT-UHFFFAOYSA-N 0 1 295.390 3.639 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN(C)CCC(C)(C)C ZINC001195497073 1122872567 /nfs/dbraw/zinc/87/25/67/1122872567.db2.gz GDOCJRCKBIJGJL-UHFFFAOYSA-N 0 1 296.842 3.955 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(C)(C)C(C)(C)C)n[nH]1 ZINC000506850290 1122874084 /nfs/dbraw/zinc/87/40/84/1122874084.db2.gz FTMWKFUSYLOOLX-GHMZBOCLSA-N 0 1 294.443 3.568 20 0 CHADMN Oc1ccc(CNCc2cc(C3CC3)ccc2F)cc1F ZINC000894668016 1122887685 /nfs/dbraw/zinc/88/76/85/1122887685.db2.gz OTCVTBPXTACJGC-UHFFFAOYSA-N 0 1 289.325 3.838 20 0 CHADMN Oc1cccc(Cl)c1-c1nc2ccc(F)cc2[nH]1 ZINC001250864062 1122887683 /nfs/dbraw/zinc/88/76/83/1122887683.db2.gz SROPVJQMMDIEKB-UHFFFAOYSA-N 0 1 262.671 3.728 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccc(F)c(C)c2)o1 ZINC000894667980 1122888194 /nfs/dbraw/zinc/88/81/94/1122888194.db2.gz OCCPPKBNHHFNRN-GFCCVEGCSA-N 0 1 277.339 3.977 20 0 CHADMN Fc1ccc(CN2C[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC001195835061 1122891844 /nfs/dbraw/zinc/89/18/44/1122891844.db2.gz ZAMOGNPUPYNXAN-BXUZGUMPSA-N 0 1 253.748 3.854 20 0 CHADMN CCC[C@@H]1CCCC[C@@H]1NCc1nnc(C(C)(C)C)o1 ZINC000775677705 1122900839 /nfs/dbraw/zinc/90/08/39/1122900839.db2.gz IGRVBOLJMYXTAN-OLZOCXBDSA-N 0 1 279.428 3.816 20 0 CHADMN Cc1nc([C@H](C)NCc2ccc(-c3cccs3)cc2)n[nH]1 ZINC000894778865 1122904709 /nfs/dbraw/zinc/90/47/09/1122904709.db2.gz TWUFOUSIRCGEOU-NSHDSACASA-N 0 1 298.415 3.692 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1cnc2onc(C)c2c1 ZINC000894783459 1122905441 /nfs/dbraw/zinc/90/54/41/1122905441.db2.gz VEJHYWXXLWXWFH-MRXNPFEDSA-N 0 1 296.374 3.509 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1ccc(SC)o1 ZINC000894782807 1122905545 /nfs/dbraw/zinc/90/55/45/1122905545.db2.gz NEDCTMLDKXVIIP-CQSZACIVSA-N 0 1 276.405 3.980 20 0 CHADMN c1cc2cc(N[C@@H]3CC[C@@H]4COCC[C@@H]4C3)ccc2cn1 ZINC000894808246 1122906790 /nfs/dbraw/zinc/90/67/90/1122906790.db2.gz KMXHHDUBDLCVAF-QGPMSJSTSA-N 0 1 282.387 3.852 20 0 CHADMN C[C@@H]1CC[N@@H+](C/C=C\c2ccc(Cl)cc2)C[C@H](C)O1 ZINC001196150495 1122908088 /nfs/dbraw/zinc/90/80/88/1122908088.db2.gz ZIUBMPYOEVDDSK-TYHIMRJMSA-N 0 1 279.811 3.853 20 0 CHADMN CCCC[C@@H](CC)CC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000506918011 1122912387 /nfs/dbraw/zinc/91/23/87/1122912387.db2.gz QIGPCIRAOBWPAT-SECBINFHSA-N 0 1 291.317 3.974 20 0 CHADMN CC1(C)CCC(C)(C)N(CC(=O)OCc2ccccc2)C1 ZINC001196276567 1122914919 /nfs/dbraw/zinc/91/49/19/1122914919.db2.gz URMYFQBSARZSOF-UHFFFAOYSA-N 0 1 289.419 3.630 20 0 CHADMN Cc1cc(C)c(C[NH2+][C@@H](C(=O)[O-])c2ccsc2)cc1C ZINC000426782275 1122916087 /nfs/dbraw/zinc/91/60/87/1122916087.db2.gz FIYHYHFHHJECLF-OAHLLOKOSA-N 0 1 289.400 3.589 20 0 CHADMN CCc1nocc1CN1CCC[C@H]1c1cccc(OC)c1 ZINC000507078382 1122923349 /nfs/dbraw/zinc/92/33/49/1122923349.db2.gz QIYKVDSIKYXMCV-KRWDZBQOSA-N 0 1 286.375 3.583 20 0 CHADMN C/C=C/C[C@H]1CCCN(Cc2cccc(Cl)n2)C1 ZINC001196615526 1122928301 /nfs/dbraw/zinc/92/83/01/1122928301.db2.gz XAEPTLSGKCNTLR-IBUXWKBASA-N 0 1 264.800 3.913 20 0 CHADMN CCOc1ccc(NC(=O)c2cccc3cn[nH]c32)c(C)c1 ZINC000154406377 1129087386 /nfs/dbraw/zinc/08/73/86/1129087386.db2.gz XOBNFASZBURBLN-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN CCN(Cc1occc1C)Cc1cccc(OC)c1 ZINC000507135061 1122931130 /nfs/dbraw/zinc/93/11/30/1122931130.db2.gz PIVGSZRZDOYEFL-UHFFFAOYSA-N 0 1 259.349 3.619 20 0 CHADMN C[C@H]1CCN(Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000507165124 1122932915 /nfs/dbraw/zinc/93/29/15/1122932915.db2.gz NFUJEYDIQXFDKO-NSHDSACASA-N 0 1 276.380 3.791 20 0 CHADMN Cc1n[nH]cc1C[N@@H+](C)CCc1c(Cl)cccc1Cl ZINC001196758236 1122933405 /nfs/dbraw/zinc/93/34/05/1122933405.db2.gz DGTOSFAJUNCYOC-UHFFFAOYSA-N 0 1 298.217 3.699 20 0 CHADMN CCN(C(=O)CN1CCC(C)(CC)CC1)c1ccccc1 ZINC000507178291 1122933414 /nfs/dbraw/zinc/93/34/14/1122933414.db2.gz FKDQGULLAXLUKH-UHFFFAOYSA-N 0 1 288.435 3.552 20 0 CHADMN Oc1c(Cl)cccc1-c1nc2cc(F)ccc2[nH]1 ZINC001251051254 1122934499 /nfs/dbraw/zinc/93/44/99/1122934499.db2.gz ADZPIZOFJMMMQZ-UHFFFAOYSA-N 0 1 262.671 3.728 20 0 CHADMN Cc1cc(-c2nc3ccc(Cl)cc3[nH]2)cc(C)n1 ZINC001251059468 1122936272 /nfs/dbraw/zinc/93/62/72/1122936272.db2.gz NMFFOSACGRTWES-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN CSc1cc(NC2=CC[C@H](C(F)(F)F)CC2)nn1C ZINC001196888130 1122936476 /nfs/dbraw/zinc/93/64/76/1122936476.db2.gz DMBXGPNJUGMXJH-QMMMGPOBSA-N 0 1 291.342 3.800 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](C)Cc1ccccc1-c1ccnn1C ZINC000507188526 1122937266 /nfs/dbraw/zinc/93/72/66/1122937266.db2.gz GJTVVRPPTRXPHU-AWEZNQCLSA-N 0 1 295.386 3.873 20 0 CHADMN CC[N@@H+](Cc1ccccc1OC(F)(F)F)C1CC1 ZINC000507231980 1122939675 /nfs/dbraw/zinc/93/96/75/1122939675.db2.gz MSCJLFYHQIHOTN-UHFFFAOYSA-N 0 1 259.271 3.570 20 0 CHADMN Oc1cc(F)cc(F)c1NC(=S)Nc1ccc(F)cc1 ZINC001196941969 1122939997 /nfs/dbraw/zinc/93/99/97/1122939997.db2.gz DQFDXCNPEIODNU-UHFFFAOYSA-N 0 1 298.289 3.618 20 0 CHADMN CC1=CC[C@](C)(c2nc(-c3ccn4cncc4c3)no2)CC1 ZINC000664862290 1122941733 /nfs/dbraw/zinc/94/17/33/1122941733.db2.gz GPDPIVQEQHZSOB-KRWDZBQOSA-N 0 1 294.358 3.772 20 0 CHADMN C[C@H]1CCC[C@H](CN2Cc3cccnc3N3CCC[C@@H]3C2)C1 ZINC001197086038 1122942946 /nfs/dbraw/zinc/94/29/46/1122942946.db2.gz BNJBOMHUWJUFAT-XYJFISCASA-N 0 1 299.462 3.692 20 0 CHADMN CC1(C)Cc2n[nH]cc2CN(C/C=C\c2ccccc2)C1 ZINC000664866607 1122948013 /nfs/dbraw/zinc/94/80/13/1122948013.db2.gz ALNOOMMMHVWALP-TWGQIWQCSA-N 0 1 281.403 3.507 20 0 CHADMN Fc1ccc2nc(-c3ccc4ncoc4c3)[nH]c2c1 ZINC001251234639 1122953823 /nfs/dbraw/zinc/95/38/23/1122953823.db2.gz GMQIDTPIHGSUMB-UHFFFAOYSA-N 0 1 253.236 3.510 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664869662 1122954173 /nfs/dbraw/zinc/95/41/73/1122954173.db2.gz XOFOFUWQGMZGSM-LBPRGKRZSA-N 0 1 287.382 3.694 20 0 CHADMN CCCCC[C@@H](CC)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000775770488 1122954774 /nfs/dbraw/zinc/95/47/74/1122954774.db2.gz DLYKBZHTHHUCRO-LLVKDONJSA-N 0 1 274.368 3.503 20 0 CHADMN Cc1[nH]nc2ncc(CN(C)[C@@H](C)c3cccs3)cc12 ZINC000507433063 1122954843 /nfs/dbraw/zinc/95/48/43/1122954843.db2.gz KAFTVXMVGMQITB-NSHDSACASA-N 0 1 286.404 3.521 20 0 CHADMN CC(C)(C)OCCCCN1CCCC[C@H]1c1ncccn1 ZINC001197451780 1122958273 /nfs/dbraw/zinc/95/82/73/1122958273.db2.gz YOONZRUSPNZXSO-HNNXBMFYSA-N 0 1 291.439 3.599 20 0 CHADMN COc1cc2c(cc1OC)[C@H](C)N(CC=C(C)C)CC2 ZINC001197496367 1122958786 /nfs/dbraw/zinc/95/87/86/1122958786.db2.gz JFIXIOUWROIYSO-ZDUSSCGKSA-N 0 1 275.392 3.589 20 0 CHADMN Cc1cc(CN2CCCC[C@H]2c2ccc(C)cc2)nn1C ZINC000487382726 1122965359 /nfs/dbraw/zinc/96/53/59/1122965359.db2.gz WJYMFNAHTMIRPY-SFHVURJKSA-N 0 1 283.419 3.764 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cccc2F)c1ccncc1F ZINC000334228646 1122973786 /nfs/dbraw/zinc/97/37/86/1122973786.db2.gz OQUOIKZIPOFQLF-MGPLVRAMSA-N 0 1 274.314 3.698 20 0 CHADMN Clc1ccsc1CN1CCC(c2ncccn2)CC1 ZINC001197947913 1122976054 /nfs/dbraw/zinc/97/60/54/1122976054.db2.gz MQQSGFOCQIDLLR-UHFFFAOYSA-N 0 1 293.823 3.571 20 0 CHADMN CC[C@@H](F)CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000440519454 1123009576 /nfs/dbraw/zinc/00/95/76/1123009576.db2.gz MIDWWNSFFVUVCB-ZJUUUORDSA-N 0 1 255.299 3.645 20 0 CHADMN CN(Cc1nccn1C1CC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000894854282 1122981046 /nfs/dbraw/zinc/98/10/46/1122981046.db2.gz GPJBMESUSFIFNJ-ROUUACIJSA-N 0 1 295.430 3.986 20 0 CHADMN CN(Cc1nccn1C1CC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000894854279 1122981220 /nfs/dbraw/zinc/98/12/20/1122981220.db2.gz GPJBMESUSFIFNJ-QZTJIDSGSA-N 0 1 295.430 3.986 20 0 CHADMN c1cc(C2CCC2)ccc1CN1CCO[C@H]2CCC[C@@H]21 ZINC000507660625 1122983955 /nfs/dbraw/zinc/98/39/55/1122983955.db2.gz OOTTYZDMUMPFEA-ROUUACIJSA-N 0 1 271.404 3.707 20 0 CHADMN Cc1cc(CNCc2ccc(C)c(C)n2)c2c(n1)CCCC2 ZINC000894855230 1122985688 /nfs/dbraw/zinc/98/56/88/1122985688.db2.gz JGHUTSMMFYFVHX-UHFFFAOYSA-N 0 1 295.430 3.570 20 0 CHADMN CC(C)(C)CCCN1CCn2nc(C(C)(C)C)cc2C1 ZINC001198363916 1122988568 /nfs/dbraw/zinc/98/85/68/1122988568.db2.gz WGFNKSCTPKAQFX-UHFFFAOYSA-N 0 1 277.456 3.823 20 0 CHADMN Clc1ccc(SCCN2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000507723134 1122990103 /nfs/dbraw/zinc/99/01/03/1122990103.db2.gz FVZOGJOCLAOJHK-LSDHHAIUSA-N 0 1 297.851 3.685 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N[C@H](C)C2(C)CC2)n1 ZINC001198406046 1122990729 /nfs/dbraw/zinc/99/07/29/1122990729.db2.gz DXZPKIGRLIBBDL-QWHCGFSZSA-N 0 1 285.391 3.884 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@H+]1C[C@@H](O)c1c(F)cccc1F ZINC000729475464 1122992059 /nfs/dbraw/zinc/99/20/59/1122992059.db2.gz VFKNWKGIDLGRIW-ZIAGYGMSSA-N 0 1 283.362 3.509 20 0 CHADMN F[C@H]1CCCN(CCCOc2cccc(Cl)c2)C1 ZINC001198468184 1122993264 /nfs/dbraw/zinc/99/32/64/1122993264.db2.gz SXAMYNHIMIVODF-ZDUSSCGKSA-N 0 1 271.763 3.543 20 0 CHADMN CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000775869475 1122997193 /nfs/dbraw/zinc/99/71/93/1122997193.db2.gz VYVIZWAPEDYHHW-WMLDXEAASA-N 0 1 292.398 3.508 20 0 CHADMN FC(F)(F)c1nc(CNC2(C3CCC3)CCC2)cs1 ZINC000894862698 1122998483 /nfs/dbraw/zinc/99/84/83/1122998483.db2.gz BXRWFIUVBCUXOA-UHFFFAOYSA-N 0 1 290.354 3.974 20 0 CHADMN C[C@H](N[C@@H]1CCC(C)(C)c2ccccc21)c1ccc(=O)[nH]n1 ZINC000334406613 1123007485 /nfs/dbraw/zinc/00/74/85/1123007485.db2.gz KCEGYQWAVSUILY-BLLLJJGKSA-N 0 1 297.402 3.646 20 0 CHADMN c1c(CN2CCCCC23CCCCCC3)nn2c1CCC2 ZINC001198743264 1123008183 /nfs/dbraw/zinc/00/81/83/1123008183.db2.gz STFVAMLZTIBRAK-UHFFFAOYSA-N 0 1 287.451 3.908 20 0 CHADMN Cc1oc(-c2cccs2)nc1CNCCc1ccco1 ZINC001198942741 1123016699 /nfs/dbraw/zinc/01/66/99/1123016699.db2.gz ARENHAVSLRHNOJ-UHFFFAOYSA-N 0 1 288.372 3.637 20 0 CHADMN Cc1cccc(C2=CC[N@@H+]([C@@H](CC(C)C)C(=O)[O-])CC2)c1 ZINC000519759144 1123024157 /nfs/dbraw/zinc/02/41/57/1123024157.db2.gz MHDVZEMKEIDSHR-KRWDZBQOSA-N 0 1 287.403 3.583 20 0 CHADMN CCn1c(C)cc(C(=O)CN(C(C)C)C2CCC2)c1C ZINC000440665372 1123027228 /nfs/dbraw/zinc/02/72/28/1123027228.db2.gz HEPVGDQQSSXNPN-UHFFFAOYSA-N 0 1 276.424 3.570 20 0 CHADMN Cc1noc2ncc(CNCc3cc4ccccc4o3)cc12 ZINC001199329692 1123027648 /nfs/dbraw/zinc/02/76/48/1123027648.db2.gz YFLHBOZCVGNICR-UHFFFAOYSA-N 0 1 293.326 3.567 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)Nc1cc(C)cc(C)c1 ZINC000334465506 1123032821 /nfs/dbraw/zinc/03/28/21/1123032821.db2.gz CNGJIRDXTQLCPG-UHFFFAOYSA-N 0 1 294.305 3.917 20 0 CHADMN CC[C@H](NCc1nnc(C(C)(C)C)o1)C1CCCCC1 ZINC000776016644 1123036737 /nfs/dbraw/zinc/03/67/37/1123036737.db2.gz SUZRCBDUIGSUMS-ZDUSSCGKSA-N 0 1 279.428 3.816 20 0 CHADMN CC[C@@H](F)C[N@@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000440760267 1123037435 /nfs/dbraw/zinc/03/74/35/1123037435.db2.gz DEDAWVCXXSBAPK-PWSUYJOCSA-N 0 1 256.390 3.509 20 0 CHADMN CC[C@@H](F)CN(C)[C@H]1CCCc2nc(C)sc21 ZINC000440760267 1123037440 /nfs/dbraw/zinc/03/74/40/1123037440.db2.gz DEDAWVCXXSBAPK-PWSUYJOCSA-N 0 1 256.390 3.509 20 0 CHADMN Cc1cccc2nc(CNC(=O)CCCC(C)(C)C)[nH]c21 ZINC000155010434 1129094705 /nfs/dbraw/zinc/09/47/05/1129094705.db2.gz PNOUDMUBYFXOMY-UHFFFAOYSA-N 0 1 287.407 3.704 20 0 CHADMN CC[C@@H](F)CN[C@H](CC(=O)OC(C)C)c1ccc(C)cc1 ZINC000440786779 1123040304 /nfs/dbraw/zinc/04/03/04/1123040304.db2.gz TXCCGDZCRWKWSF-HZPDHXFCSA-N 0 1 295.398 3.716 20 0 CHADMN CC[C@H](F)CN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000440785983 1123040624 /nfs/dbraw/zinc/04/06/24/1123040624.db2.gz MCFLTTPVLTUSCV-STQMWFEESA-N 0 1 296.455 3.949 20 0 CHADMN CC[C@H](F)CN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000440784989 1123041023 /nfs/dbraw/zinc/04/10/23/1123041023.db2.gz VXOCVYQJDMRKDM-ZFWWWQNUSA-N 0 1 281.346 3.611 20 0 CHADMN CC[C@H](F)CN1C[C@H](C)C[C@H]1c1ccccc1F ZINC000440797026 1123041808 /nfs/dbraw/zinc/04/18/08/1123041808.db2.gz MPWUBEJUWTZTIH-XUJVJEKNSA-N 0 1 253.336 3.957 20 0 CHADMN Fc1cccc([C@H]2CCN(Cc3ccc(Cl)nc3)C2)c1 ZINC000729481643 1123043058 /nfs/dbraw/zinc/04/30/58/1123043058.db2.gz WOGYDXWGPPLCGH-AWEZNQCLSA-N 0 1 290.769 3.864 20 0 CHADMN CN(Cc1nccn1C(F)F)CC1CCCCCC1 ZINC000155024222 1129095171 /nfs/dbraw/zinc/09/51/71/1129095171.db2.gz GNYNSTFUUYCMQL-UHFFFAOYSA-N 0 1 271.355 3.680 20 0 CHADMN CC1(C)CN(CCCc2ccsc2)[C@@H]2CCC[C@H]2O1 ZINC000440971230 1123050368 /nfs/dbraw/zinc/05/03/68/1123050368.db2.gz XURHBFSKFPBCQL-HUUCEWRRSA-N 0 1 279.449 3.713 20 0 CHADMN Cc1cc(F)cc(CN2CCc3ccccc3C2)c1 ZINC001143580237 1123051488 /nfs/dbraw/zinc/05/14/88/1123051488.db2.gz BDARZSXCEHSSFX-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN CCC[C@@H](C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000157049996 1123055743 /nfs/dbraw/zinc/05/57/43/1123055743.db2.gz MEJDKKKTJRAIQZ-JHJVBQTASA-N 0 1 296.842 3.684 20 0 CHADMN CCCOc1ccc2c(c1)CCN([C@H](C)c1cccnc1)C2 ZINC000441072695 1123056769 /nfs/dbraw/zinc/05/67/69/1123056769.db2.gz RMICVBGJUFAXDS-OAHLLOKOSA-N 0 1 296.414 3.990 20 0 CHADMN Cc1cccc2c1N(C(=O)c1cccc(F)c1O)CC[C@@H]2C ZINC001273867350 1123065291 /nfs/dbraw/zinc/06/52/91/1123065291.db2.gz NQBUHYIURHLTOR-NSHDSACASA-N 0 1 299.345 3.994 20 0 CHADMN Cc1ccc2cc(CN(C)Cc3cccnc3)ccc2n1 ZINC000188309649 1123066421 /nfs/dbraw/zinc/06/64/21/1123066421.db2.gz VOXIJWXQXXWUEP-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN CC[C@@H]1CCCCN1CC(=O)Nc1sc(C)c(C)c1C ZINC000441183291 1123067019 /nfs/dbraw/zinc/06/70/19/1123067019.db2.gz LGMKOBZOBMESOV-CQSZACIVSA-N 0 1 294.464 3.876 20 0 CHADMN C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441236875 1123069477 /nfs/dbraw/zinc/06/94/77/1123069477.db2.gz RCRBKBUMVUWTEM-HZSPNIEDSA-N 0 1 295.373 3.774 20 0 CHADMN Cc1cc(F)cc(CN(C)Cc2cccc(F)c2)c1 ZINC001143580620 1123071579 /nfs/dbraw/zinc/07/15/79/1123071579.db2.gz PTNICDKZAOXVDX-UHFFFAOYSA-N 0 1 261.315 3.905 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000441262614 1123073760 /nfs/dbraw/zinc/07/37/60/1123073760.db2.gz CSVZNECLGBPJLT-CQSZACIVSA-N 0 1 287.382 3.633 20 0 CHADMN C[C@@H]1CCCN(Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000441262614 1123073763 /nfs/dbraw/zinc/07/37/63/1123073763.db2.gz CSVZNECLGBPJLT-CQSZACIVSA-N 0 1 287.382 3.633 20 0 CHADMN CC1(C)CC(Cc2noc(-c3cc(-c4ccoc4)n[nH]3)n2)C1 ZINC000520301386 1123074198 /nfs/dbraw/zinc/07/41/98/1123074198.db2.gz AGHPAINSQPVKJW-UHFFFAOYSA-N 0 1 298.346 3.698 20 0 CHADMN COc1ccc2cccnc2c1N=C1CCSCC1 ZINC001201346876 1123090957 /nfs/dbraw/zinc/09/09/57/1123090957.db2.gz JZZRNCGZOYFVPX-UHFFFAOYSA-N 0 1 272.373 3.676 20 0 CHADMN N=C(N)N(c1ccc(F)cc1)c1cc(Cl)ccc1F ZINC001167990976 1123092502 /nfs/dbraw/zinc/09/25/02/1123092502.db2.gz DMCMDAFEVRHWHJ-UHFFFAOYSA-N 0 1 281.693 3.650 20 0 CHADMN Cc1cccc2nc(CNC(=O)[C@H](C)CC3CCCC3)[nH]c21 ZINC000155156027 1129098846 /nfs/dbraw/zinc/09/88/46/1129098846.db2.gz FXTQAKXSUUTPCN-CYBMUJFWSA-N 0 1 299.418 3.704 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1ccc(Cl)cn1 ZINC000776168537 1123100674 /nfs/dbraw/zinc/10/06/74/1123100674.db2.gz CPPCCXJNVSOXQG-MRXNPFEDSA-N 0 1 272.779 3.821 20 0 CHADMN CC(C)(C)CN1CCc2cccc(Br)c2C1 ZINC001201432615 1123100897 /nfs/dbraw/zinc/10/08/97/1123100897.db2.gz GIOLTQAACAPXDA-UHFFFAOYSA-N 0 1 282.225 3.853 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cccc(F)n1)CCC2 ZINC000776171471 1123101817 /nfs/dbraw/zinc/10/18/17/1123101817.db2.gz SPFKBISZHWWLCJ-OAHLLOKOSA-N 0 1 274.314 3.527 20 0 CHADMN COCc1ccc(CN[C@@H]2CCSc3ccccc32)o1 ZINC000268771960 1129099389 /nfs/dbraw/zinc/09/93/89/1129099389.db2.gz FHZONMYKSCGUJF-OAHLLOKOSA-N 0 1 289.400 3.753 20 0 CHADMN COc1cc(Nc2ccc(NC(C)C)cc2)ncc1C ZINC001201498448 1123111378 /nfs/dbraw/zinc/11/13/78/1123111378.db2.gz ZTUGMHPWUXOAKQ-UHFFFAOYSA-N 0 1 271.364 3.963 20 0 CHADMN CCC(CC)CN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001201534475 1123115483 /nfs/dbraw/zinc/11/54/83/1123115483.db2.gz JLODOYSUQJRKNA-LBPRGKRZSA-N 0 1 275.318 3.779 20 0 CHADMN CCC[C@H](C)CN1CCN(C(=O)OC(C)(C)C)CC12CC2 ZINC001201539420 1123116204 /nfs/dbraw/zinc/11/62/04/1123116204.db2.gz UXADSPXGINYLLQ-AWEZNQCLSA-N 0 1 296.455 3.508 20 0 CHADMN CC[C@H](CNCc1csc(Cl)c1Cl)OC ZINC000336761951 1123121292 /nfs/dbraw/zinc/12/12/92/1123121292.db2.gz NDEGHGZYGOXFJD-MRVPVSSYSA-N 0 1 268.209 3.570 20 0 CHADMN COc1cc([C@H](C)N[C@H](C)c2ccccc2)c(F)cn1 ZINC000286967381 1123122456 /nfs/dbraw/zinc/12/24/56/1123122456.db2.gz NPJRTXJPWFNXEK-NEPJUHHUSA-N 0 1 274.339 3.641 20 0 CHADMN Cc1ccc(Cc2noc(CN3[C@H](C)CC[C@@H]3C)n2)cc1C ZINC000665015529 1123125485 /nfs/dbraw/zinc/12/54/85/1123125485.db2.gz GJBPEQRAFOMBJJ-GASCZTMLSA-N 0 1 299.418 3.650 20 0 CHADMN Cc1cc(NCC(C)(C)C[C@@H](C)O)c2cc(F)ccc2n1 ZINC000127240349 1123130241 /nfs/dbraw/zinc/13/02/41/1123130241.db2.gz JPCIGMWHWFZHMH-GFCCVEGCSA-N 0 1 290.382 3.891 20 0 CHADMN CCO[C@@H](CC)c1noc(-c2cc(-c3ccccc3)n[nH]2)n1 ZINC000665031646 1123130629 /nfs/dbraw/zinc/13/06/29/1123130629.db2.gz OXWGLDSUEQMAON-AWEZNQCLSA-N 0 1 298.346 3.614 20 0 CHADMN COc1ccsc1CN[C@H]1CCCc2nc(C)sc21 ZINC001201617125 1123132031 /nfs/dbraw/zinc/13/20/31/1123132031.db2.gz DYMSEYQPCRRUAE-JTQLQIEISA-N 0 1 294.445 3.689 20 0 CHADMN C[C@H]1CCCC[C@@H]1CNc1cnccc1-n1cccn1 ZINC001201674266 1123133575 /nfs/dbraw/zinc/13/35/75/1123133575.db2.gz AXUGJGLHYQHLDU-UONOGXRCSA-N 0 1 270.380 3.506 20 0 CHADMN CSc1ccccc1CN[C@@H](C)c1cnccc1C ZINC000679944218 1123136300 /nfs/dbraw/zinc/13/63/00/1123136300.db2.gz LGXIUCCQJDMOET-ZDUSSCGKSA-N 0 1 272.417 3.963 20 0 CHADMN CCC[C@@H](C(=O)c1ccccc1)N(C)CCCSC ZINC001201697428 1123137681 /nfs/dbraw/zinc/13/76/81/1123137681.db2.gz AMLNRABXRRUHED-HNNXBMFYSA-N 0 1 279.449 3.723 20 0 CHADMN CC[C@@H]1CO[C@@H](C)C[N@H+]1CCOc1cccc2ccccc21 ZINC000520465890 1123138412 /nfs/dbraw/zinc/13/84/12/1123138412.db2.gz QGRRFULRMXIOSA-DOTOQJQBSA-N 0 1 299.414 3.718 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1CCOc1cccc2ccccc21 ZINC000520465890 1123138415 /nfs/dbraw/zinc/13/84/15/1123138415.db2.gz QGRRFULRMXIOSA-DOTOQJQBSA-N 0 1 299.414 3.718 20 0 CHADMN CCCCN1CCO[C@](C)(c2ccc(Cl)cc2)C1 ZINC001201715238 1123139425 /nfs/dbraw/zinc/13/94/25/1123139425.db2.gz OQRWCACMXQNMRL-HNNXBMFYSA-N 0 1 267.800 3.688 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2CCCC[C@H]2C)no1 ZINC000162337748 1123142464 /nfs/dbraw/zinc/14/24/64/1123142464.db2.gz QPKOIGMCTFHMNT-UKRRQHHQSA-N 0 1 285.391 3.713 20 0 CHADMN CSCCCN1CCO[C@@](C)(c2ccc(Cl)cc2)C1 ZINC001201692212 1123142528 /nfs/dbraw/zinc/14/25/28/1123142528.db2.gz KIHPOPCXLHQXLT-OAHLLOKOSA-N 0 1 299.867 3.641 20 0 CHADMN COc1cc(CN(C)Cc2ccc(C)s2)ccc1F ZINC000093049449 1123147284 /nfs/dbraw/zinc/14/72/84/1123147284.db2.gz HSBCQNFAUVJLOZ-UHFFFAOYSA-N 0 1 279.380 3.836 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3cnn(C(C)C)c32)cc(C)n1 ZINC001201889921 1123155965 /nfs/dbraw/zinc/15/59/65/1123155965.db2.gz UHKKUELGKCJMFK-KRWDZBQOSA-N 0 1 298.434 3.643 20 0 CHADMN O=C(Nc1ccc(F)c(F)c1O)Nc1ccccc1Cl ZINC001202064622 1123171089 /nfs/dbraw/zinc/17/10/89/1123171089.db2.gz NZTJCTLKHHBWJO-UHFFFAOYSA-N 0 1 298.676 3.968 20 0 CHADMN Cc1nnc([C@H](C)N[C@H]2CCC[C@@H]2CCC(C)C)o1 ZINC000191350710 1123171529 /nfs/dbraw/zinc/17/15/29/1123171529.db2.gz LUGJMJMJSNCNLA-YUTCNCBUSA-N 0 1 265.401 3.634 20 0 CHADMN COc1ccc(F)cc1CNCc1cccc2ncccc12 ZINC001202102552 1123175399 /nfs/dbraw/zinc/17/53/99/1123175399.db2.gz RMUXKIFDFALFDM-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN C[C@H](NC1CCSCC1)c1nc(C2CCCCC2)no1 ZINC000191579177 1123176906 /nfs/dbraw/zinc/17/69/06/1123176906.db2.gz FSVBKMUMLZLWNU-NSHDSACASA-N 0 1 295.452 3.664 20 0 CHADMN c1snnc1CNCCc1ccc(-c2ccccc2)cc1 ZINC000776251713 1123179737 /nfs/dbraw/zinc/17/97/37/1123179737.db2.gz VEXVHUBNRXULLI-UHFFFAOYSA-N 0 1 295.411 3.537 20 0 CHADMN CCOC(=O)CN(CC1CCCC1)[C@H](C)c1ccccc1 ZINC001202191204 1123184500 /nfs/dbraw/zinc/18/45/00/1123184500.db2.gz ZKCSEXOAJVGERR-OAHLLOKOSA-N 0 1 289.419 3.803 20 0 CHADMN Cc1cc(F)cc(CN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001143586985 1123191328 /nfs/dbraw/zinc/19/13/28/1123191328.db2.gz YOTXDDFVLLSWDB-GFCCVEGCSA-N 0 1 275.289 3.908 20 0 CHADMN Cc1cc2ccccc2c(N[C@@H]2CCO[C@H](C)C2)n1 ZINC001161691444 1123191571 /nfs/dbraw/zinc/19/15/71/1123191571.db2.gz DUPZQNYVTXHBJS-TZMCWYRMSA-N 0 1 256.349 3.523 20 0 CHADMN Cc1cnccc1[NH+]=C([O-])N1CCC[C@H](C)c2ccccc21 ZINC001202237399 1123192234 /nfs/dbraw/zinc/19/22/34/1123192234.db2.gz UGVUFBBSOZANFS-ZDUSSCGKSA-N 0 1 295.386 3.748 20 0 CHADMN Oc1ccccc1-c1n[nH]c(SCC2CCCCC2)n1 ZINC000192947839 1123193147 /nfs/dbraw/zinc/19/31/47/1123193147.db2.gz WFMCROJPAYGCNB-UHFFFAOYSA-N 0 1 289.404 3.850 20 0 CHADMN COCc1cc(-c2ccc(CN(C)C)c(F)c2)cs1 ZINC000665142900 1123197351 /nfs/dbraw/zinc/19/73/51/1123197351.db2.gz CSCMQQMWDCMULN-UHFFFAOYSA-N 0 1 279.380 3.762 20 0 CHADMN Fc1ccc2c(c1)CN(CCCC(F)(F)F)CC2 ZINC001202425023 1123206870 /nfs/dbraw/zinc/20/68/70/1123206870.db2.gz SRAGGSRBIIAXMI-UHFFFAOYSA-N 0 1 261.262 3.526 20 0 CHADMN Cc1ccc2nc(SC[C@@H]3CCC[C@@H](O)C3)[nH]c2c1 ZINC000388839635 1123220939 /nfs/dbraw/zinc/22/09/39/1123220939.db2.gz XXDDHSIXTLVIEF-VXGBXAGGSA-N 0 1 276.405 3.515 20 0 CHADMN COc1ccnc(CN(C)[C@@H](C)c2ccc(C)cc2C)c1 ZINC000520747532 1123223321 /nfs/dbraw/zinc/22/33/21/1123223321.db2.gz CBWJXWXHAUGXAZ-HNNXBMFYSA-N 0 1 284.403 3.900 20 0 CHADMN Cc1csc(CNCc2ccccc2Cl)c1 ZINC000379148392 1123223518 /nfs/dbraw/zinc/22/35/18/1123223518.db2.gz UYBXUCYVDSOXFE-UHFFFAOYSA-N 0 1 251.782 4.000 20 0 CHADMN C[C@@H](Sc1c[nH]nn1)c1ccc(Cl)cc1Cl ZINC000155874693 1129107136 /nfs/dbraw/zinc/10/71/36/1129107136.db2.gz JLVUHEJLWUVXAD-ZCFIWIBFSA-N 0 1 274.176 3.965 20 0 CHADMN CC[C@@](C)(NCc1nc2ccccc2n1C)c1ccccc1 ZINC000107717856 1123226991 /nfs/dbraw/zinc/22/69/91/1123226991.db2.gz OWWXHFUEPXZWGF-LJQANCHMSA-N 0 1 293.414 3.988 20 0 CHADMN COC1(CNCc2nc3ccccc3o2)CCC(C)CC1 ZINC000639124553 1123228825 /nfs/dbraw/zinc/22/88/25/1123228825.db2.gz WINNVWNGIWZZGK-UHFFFAOYSA-N 0 1 288.391 3.513 20 0 CHADMN CCc1ccc(CN(Cc2cccc(F)c2)C2CC2)nc1 ZINC000338928336 1123234874 /nfs/dbraw/zinc/23/48/74/1123234874.db2.gz JJJPZBNUTQKXIM-UHFFFAOYSA-N 0 1 284.378 3.948 20 0 CHADMN Clc1ccccc1SCCCSc1cn[nH]n1 ZINC000155962567 1129107936 /nfs/dbraw/zinc/10/79/36/1129107936.db2.gz HWXTVPXZBXHOEM-UHFFFAOYSA-N 0 1 285.825 3.733 20 0 CHADMN CC[N@H+](Cc1cccc([O-])c1Cl)[C@@H](C)C(C)C ZINC000507833619 1123239181 /nfs/dbraw/zinc/23/91/81/1123239181.db2.gz KRDICJLZRFYVPV-NSHDSACASA-N 0 1 255.789 3.912 20 0 CHADMN CC[N@@H+](Cc1cccc([O-])c1Cl)[C@@H](C)C(C)C ZINC000507833619 1123239183 /nfs/dbraw/zinc/23/91/83/1123239183.db2.gz KRDICJLZRFYVPV-NSHDSACASA-N 0 1 255.789 3.912 20 0 CHADMN C[C@H](Sc1c[nH]nn1)c1ccc(Cl)c(Cl)c1 ZINC000156011420 1129108323 /nfs/dbraw/zinc/10/83/23/1129108323.db2.gz GSPFRIGTHHCCSZ-LURJTMIESA-N 0 1 274.176 3.965 20 0 CHADMN C[C@H](N[C@@H]1CCC(C)(C)c2ccccc21)c1ccncn1 ZINC000334527623 1123243174 /nfs/dbraw/zinc/24/31/74/1123243174.db2.gz INUOFJYEEUFEPA-SUMWQHHRSA-N 0 1 281.403 3.940 20 0 CHADMN CC(C)c1nc([C@@H](C)[N@H+]2CCC[C@@]3(CCOC3)C2)cs1 ZINC000334530543 1123243593 /nfs/dbraw/zinc/24/35/93/1123243593.db2.gz LMXZSHFIXVDLQF-CZUORRHYSA-N 0 1 294.464 3.830 20 0 CHADMN CC(C)c1nc([C@@H](C)N2CCC[C@@]3(CCOC3)C2)cs1 ZINC000334530543 1123243595 /nfs/dbraw/zinc/24/35/95/1123243595.db2.gz LMXZSHFIXVDLQF-CZUORRHYSA-N 0 1 294.464 3.830 20 0 CHADMN Cc1coc(C)c1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000334537605 1123246555 /nfs/dbraw/zinc/24/65/55/1123246555.db2.gz UDEUZEKLIZIRPM-UHFFFAOYSA-N 0 1 283.686 3.647 20 0 CHADMN Cc1noc([C@H]2CCCN2C[C@@]2(C)C[C@@H]2c2ccccc2)n1 ZINC000639166120 1123253163 /nfs/dbraw/zinc/25/31/63/1123253163.db2.gz DTBLFSDOYAFZBL-JFIYKMOQSA-N 0 1 297.402 3.709 20 0 CHADMN Cn1nc(-c2ccccc2)c(CN[C@H]2C=CCC2)c1Cl ZINC000850358608 1123256551 /nfs/dbraw/zinc/25/65/51/1123256551.db2.gz HJOYROFKNNOMQF-ZDUSSCGKSA-N 0 1 287.794 3.549 20 0 CHADMN Clc1cccc(N2CCCC2)c1CN[C@@H]1C=CCC1 ZINC000850358903 1123256753 /nfs/dbraw/zinc/25/67/53/1123256753.db2.gz NYWTWHFWIFSHAW-CYBMUJFWSA-N 0 1 276.811 3.748 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1[nH]nc2ccccc21 ZINC000156048025 1129109320 /nfs/dbraw/zinc/10/93/20/1129109320.db2.gz CHFPIZJVFAHAJI-DOMZBBRYSA-N 0 1 285.391 3.604 20 0 CHADMN C[C@@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@H]1C ZINC000074190163 1123258175 /nfs/dbraw/zinc/25/81/75/1123258175.db2.gz DHEOOHKAXMPDDF-ZIAGYGMSSA-N 0 1 295.386 3.553 20 0 CHADMN Cc1ccc(CN[C@H]2C[C@@H](O)c3ccccc32)cc1Cl ZINC000850373938 1123259167 /nfs/dbraw/zinc/25/91/67/1123259167.db2.gz JYVKGDRNUHEUIO-DLBZAZTESA-N 0 1 287.790 3.916 20 0 CHADMN c1ccc(-c2noc([C@H]3CCCCN3CC3CC3)n2)cc1 ZINC000156074241 1129109437 /nfs/dbraw/zinc/10/94/37/1129109437.db2.gz YAZMIKWUMWRQMZ-OAHLLOKOSA-N 0 1 283.375 3.674 20 0 CHADMN Cc1csc(CN[C@@H]2CCCc3c(C)cccc32)n1 ZINC000850411581 1123264185 /nfs/dbraw/zinc/26/41/85/1123264185.db2.gz FZJVVIXAMOHPRE-OAHLLOKOSA-N 0 1 272.417 3.927 20 0 CHADMN CC(C)(C)[C@@H]1CCCN1Cc1c(F)ccc(O)c1F ZINC000508187895 1123268491 /nfs/dbraw/zinc/26/84/91/1123268491.db2.gz RXOQDGMEOSVNSH-ZDUSSCGKSA-N 0 1 269.335 3.681 20 0 CHADMN Cc1ccoc1CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000850471910 1123271966 /nfs/dbraw/zinc/27/19/66/1123271966.db2.gz UPUMJGQDPRVGON-CYBMUJFWSA-N 0 1 271.360 3.764 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000850527375 1123281902 /nfs/dbraw/zinc/28/19/02/1123281902.db2.gz GIHHSZNVGJIFKU-ZLKJLUDKSA-N 0 1 289.400 3.586 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1ccc(Cl)nc1 ZINC000850528806 1123282718 /nfs/dbraw/zinc/28/27/18/1123282718.db2.gz NGFBOPUBOAVWNT-COLVAYQJSA-N 0 1 288.778 3.564 20 0 CHADMN C[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1ccc(F)cc1 ZINC000850530160 1123284476 /nfs/dbraw/zinc/28/44/76/1123284476.db2.gz WJPKORBVRPDZLZ-GOPGUHFVSA-N 0 1 271.335 3.655 20 0 CHADMN Cc1ccc2oc(CN[C@@H]3CCCc4n[nH]cc43)cc2c1 ZINC000850532148 1123285112 /nfs/dbraw/zinc/28/51/12/1123285112.db2.gz QGSZIBDFXHLSGC-OAHLLOKOSA-N 0 1 281.359 3.632 20 0 CHADMN C[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)C[C@H]1C ZINC000520824109 1123286949 /nfs/dbraw/zinc/28/69/49/1123286949.db2.gz RQJHVOSJCOCQSC-RULNRJAQSA-N 0 1 299.773 3.583 20 0 CHADMN CC(C)c1nc([C@H](C)NCC2SCCS2)cs1 ZINC000850562719 1123292765 /nfs/dbraw/zinc/29/27/65/1123292765.db2.gz WXQYDKRJSWCQSL-VIFPVBQESA-N 0 1 288.507 3.723 20 0 CHADMN CC(C)c1[nH]ccc1C(=O)Nc1cccc(Cl)c1O ZINC000335083551 1123295823 /nfs/dbraw/zinc/29/58/23/1123295823.db2.gz JHRBVORJOVWQKP-UHFFFAOYSA-N 0 1 278.739 3.749 20 0 CHADMN CC(C)(NC[C@@H]1CCC2(CCCCC2)O1)c1nccs1 ZINC000190993245 1123313737 /nfs/dbraw/zinc/31/37/37/1123313737.db2.gz KHIXQEGLGLPBSM-ZDUSSCGKSA-N 0 1 294.464 3.850 20 0 CHADMN O=C(OCc1cc(C2CC2)[nH]n1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000851118567 1123325460 /nfs/dbraw/zinc/32/54/60/1123325460.db2.gz CKLPRHMOGYIYJY-FOLVSLTJSA-N 0 1 288.391 3.547 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](c3ccncc3)C2)nc1 ZINC000335238077 1123327090 /nfs/dbraw/zinc/32/70/90/1123327090.db2.gz PGFZVIURRCAYDV-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN CC(C)(c1cccs1)c1nc(C2(N)CCCCC2)no1 ZINC000335249054 1123330733 /nfs/dbraw/zinc/33/07/33/1123330733.db2.gz NEQIKPZCOUYNPD-UHFFFAOYSA-N 0 1 291.420 3.575 20 0 CHADMN CC(C)N(Cc1csc(N(C)C2CC2)n1)C1CCC1 ZINC000156630863 1129114718 /nfs/dbraw/zinc/11/47/18/1129114718.db2.gz GVOMMSPRXLPYKA-UHFFFAOYSA-N 0 1 279.453 3.505 20 0 CHADMN CC(C)c1nc(CNC2(CO)CCCCCCC2)cs1 ZINC000713498186 1123339440 /nfs/dbraw/zinc/33/94/40/1123339440.db2.gz ZOCYRCCSCQXTME-UHFFFAOYSA-N 0 1 296.480 3.832 20 0 CHADMN CCC(C)(C)[C@H]1CCCN1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442882763 1123346416 /nfs/dbraw/zinc/34/64/16/1123346416.db2.gz SKIYIAUBIDSBOL-GFCCVEGCSA-N 0 1 289.345 3.829 20 0 CHADMN CC[C@H]1CCCCCN1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442883008 1123346871 /nfs/dbraw/zinc/34/68/71/1123346871.db2.gz GFTMBPDFPWEXCC-NSHDSACASA-N 0 1 275.318 3.583 20 0 CHADMN COc1cc(C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)ccc1C ZINC000442962351 1123350411 /nfs/dbraw/zinc/35/04/11/1123350411.db2.gz KIFOGKQKBGIQRE-HZPDHXFCSA-N 0 1 289.419 3.536 20 0 CHADMN COc1cc(CN2CC(C)(C)O[C@@H]3CCC[C@H]32)ccc1C ZINC000442962351 1123350412 /nfs/dbraw/zinc/35/04/12/1123350412.db2.gz KIFOGKQKBGIQRE-HZPDHXFCSA-N 0 1 289.419 3.536 20 0 CHADMN CC[N@@H+](Cc1ccncc1)[C@H]1CCc2ccc(F)cc21 ZINC000348075126 1123357303 /nfs/dbraw/zinc/35/73/03/1123357303.db2.gz NBYPIIBTKLARGP-KRWDZBQOSA-N 0 1 270.351 3.730 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CCC(F)(F)[C@H](C)C1 ZINC000335336440 1123360196 /nfs/dbraw/zinc/36/01/96/1123360196.db2.gz KQGNPGLKVSWOMT-SNVBAGLBSA-N 0 1 272.339 3.584 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CCC(F)(F)[C@@H](C)C1 ZINC000335336427 1123360497 /nfs/dbraw/zinc/36/04/97/1123360497.db2.gz KQGNPGLKVSWOMT-JTQLQIEISA-N 0 1 272.339 3.584 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)Cc1cscn1 ZINC000191057964 1123361800 /nfs/dbraw/zinc/36/18/00/1123361800.db2.gz GPKYRZVQQTWMRD-GXTWGEPZSA-N 0 1 250.411 3.567 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1CN(C)Cc1cscn1 ZINC000191057964 1123361804 /nfs/dbraw/zinc/36/18/04/1123361804.db2.gz GPKYRZVQQTWMRD-GXTWGEPZSA-N 0 1 250.411 3.567 20 0 CHADMN CO[C@H](CN1CCC[C@@H]1c1cc(C)on1)C1CCCCC1 ZINC000851717292 1123374491 /nfs/dbraw/zinc/37/44/91/1123374491.db2.gz VWUKKMPQMFSEDO-IAGOWNOFSA-N 0 1 292.423 3.715 20 0 CHADMN CC1(C)OC[C@@H](CCN2CC[C@H]2c2ccc(Cl)cc2)O1 ZINC000851799783 1123382545 /nfs/dbraw/zinc/38/25/45/1123382545.db2.gz FHBOTQYHKUCSIS-CABCVRRESA-N 0 1 295.810 3.628 20 0 CHADMN FC(F)OCCN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000851840891 1123384333 /nfs/dbraw/zinc/38/43/33/1123384333.db2.gz LAKMZPKFQIMURC-HNNXBMFYSA-N 0 1 294.345 3.934 20 0 CHADMN CCn1ncc(CN([C@H](C)c2ccccc2)C2CCCC2)n1 ZINC000852034344 1123394601 /nfs/dbraw/zinc/39/46/01/1123394601.db2.gz FRWXUDPOWDMFLV-OAHLLOKOSA-N 0 1 298.434 3.804 20 0 CHADMN Cc1nc(CN2CC[C@](C)(c3ccc(F)cc3)C2)oc1C ZINC000335691969 1123396095 /nfs/dbraw/zinc/39/60/95/1123396095.db2.gz KMFNBIMLZYGCCO-KRWDZBQOSA-N 0 1 288.366 3.594 20 0 CHADMN O=C([O-])C[N@H+](Cc1cccc(C2CCCC2)c1)CC1CC1 ZINC000665330916 1123402444 /nfs/dbraw/zinc/40/24/44/1123402444.db2.gz IEXMERDKXZRNEF-UHFFFAOYSA-N 0 1 287.403 3.641 20 0 CHADMN COc1cncc(CN[C@H](C)c2ccc(Cl)cc2)c1C ZINC000631032738 1123403701 /nfs/dbraw/zinc/40/37/01/1123403701.db2.gz JLYCUQWDLNLFMF-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1nc(CN2CCC[C@H](CCF)C2)nc2ccccc12 ZINC000852533678 1123408180 /nfs/dbraw/zinc/40/81/80/1123408180.db2.gz WXBAXCBAIDBEHS-CQSZACIVSA-N 0 1 287.382 3.510 20 0 CHADMN Cc1cc(Cl)ccc1CN1CCC2(CCCC2=O)CC1 ZINC000852630636 1123410762 /nfs/dbraw/zinc/41/07/62/1123410762.db2.gz GKFOQXKMIYLAIB-UHFFFAOYSA-N 0 1 291.822 3.984 20 0 CHADMN Cc1cccc(C2(N[C@H](c3nccn3C)C3CC3)CCC2)c1 ZINC000639283556 1123415406 /nfs/dbraw/zinc/41/54/06/1123415406.db2.gz LJVPWGIJBGZZBQ-KRWDZBQOSA-N 0 1 295.430 3.849 20 0 CHADMN CCC(C)(C)[C@@H]1CCCN1Cc1csc(NC(C)=O)n1 ZINC000156947518 1129120269 /nfs/dbraw/zinc/12/02/69/1129120269.db2.gz VPXGECSMKVGFRQ-ZDUSSCGKSA-N 0 1 295.452 3.502 20 0 CHADMN CCC1(CC)[C@@H](NCc2nc3ccccc3o2)C[C@@H]1OC ZINC000191360711 1123423992 /nfs/dbraw/zinc/42/39/92/1123423992.db2.gz RYLIQFNUAAEUIQ-GJZGRUSLSA-N 0 1 288.391 3.511 20 0 CHADMN CCC[C@H](CC1CCCCC1)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853220737 1123428002 /nfs/dbraw/zinc/42/80/02/1123428002.db2.gz PDFBQCNEESAHBL-TZMCWYRMSA-N 0 1 293.411 3.796 20 0 CHADMN CCCCc1[nH]n(-c2ccnc(C(F)(F)F)c2)c(=O)c1C ZINC000634618062 1129121418 /nfs/dbraw/zinc/12/14/18/1129121418.db2.gz FQDMIFCLLNIRBA-SECBINFHSA-N 0 1 299.296 3.629 20 0 CHADMN Cc1cc2ccc(Cl)cc2nc1N1N=C2CCC[C@H]2C1=O ZINC000634615816 1129121429 /nfs/dbraw/zinc/12/14/29/1129121429.db2.gz SFNPEHUPNBULDC-GFCCVEGCSA-N 0 1 299.761 3.699 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442882142 1123440158 /nfs/dbraw/zinc/44/01/58/1123440158.db2.gz CIZZSWRYEALBCF-JFGNBEQYSA-N 0 1 287.329 3.582 20 0 CHADMN CC[C@@H](CONC(=O)C(C)(C)c1ccccc1)CC(F)F ZINC000853664815 1123445607 /nfs/dbraw/zinc/44/56/07/1123445607.db2.gz VSAJFPZLHQDSEN-GFCCVEGCSA-N 0 1 299.361 3.693 20 0 CHADMN Cc1cc(-c2nnc(CN3CCCC[C@@H](C)C3)o2)c(C)o1 ZINC000335853232 1123446640 /nfs/dbraw/zinc/44/66/40/1123446640.db2.gz RTCOHNZWFKDTPY-LLVKDONJSA-N 0 1 289.379 3.568 20 0 CHADMN C[C@@H](Oc1ccc2nc[nH]c2c1)c1cccc(F)c1 ZINC001226928615 1123449690 /nfs/dbraw/zinc/44/96/90/1123449690.db2.gz NYWYCLDMZIJQDG-SNVBAGLBSA-N 0 1 256.280 3.842 20 0 CHADMN Cc1cc(F)ncc1CN1CCC(c2ccco2)CC1 ZINC000895320215 1123454136 /nfs/dbraw/zinc/45/41/36/1123454136.db2.gz NBIQXVFXOLKTIJ-UHFFFAOYSA-N 0 1 274.339 3.502 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCO[C@@H](C)[C@@H]1C ZINC000443641438 1123457118 /nfs/dbraw/zinc/45/71/18/1123457118.db2.gz POLJYGMOTQUKRA-RYUDHWBXSA-N 0 1 287.325 3.623 20 0 CHADMN CSc1ccc([C@@H](C)NCc2cccc(C)n2)cc1 ZINC000051574241 1123463289 /nfs/dbraw/zinc/46/32/89/1123463289.db2.gz WXLCMPKEJHQRPI-CYBMUJFWSA-N 0 1 272.417 3.963 20 0 CHADMN C[C@@H]1C[C@H](C)CCN(CC(=O)Nc2ccccc2Cl)C1 ZINC000443656220 1123463629 /nfs/dbraw/zinc/46/36/29/1123463629.db2.gz RIMPCKOUUJEIBD-CHWSQXEVSA-N 0 1 294.826 3.647 20 0 CHADMN C[C@H]1CCN(Cc2noc(-c3ccccc3)n2)C[C@@H](C)C1 ZINC000443660297 1123466172 /nfs/dbraw/zinc/46/61/72/1123466172.db2.gz QZHUFIBNNDXRRY-KBPBESRZSA-N 0 1 285.391 3.605 20 0 CHADMN CC1(C)CN(CC2CC(F)(F)C2)[C@@H]1c1ccncc1 ZINC000854039723 1123466710 /nfs/dbraw/zinc/46/67/10/1123466710.db2.gz LIXLKPWNDIYVHZ-CYBMUJFWSA-N 0 1 266.335 3.510 20 0 CHADMN CC(C)N1CCC[C@H](Oc2cc(F)ccc2Cl)C1 ZINC001226979344 1123470143 /nfs/dbraw/zinc/47/01/43/1123470143.db2.gz KZRZGHVBZLHRKN-LBPRGKRZSA-N 0 1 271.763 3.731 20 0 CHADMN CC(C)[C@@H](N)c1noc(C2CC3(C2)CCCCC3)n1 ZINC000854132896 1123470515 /nfs/dbraw/zinc/47/05/15/1123470515.db2.gz MGHVZOVGGBYANC-GFCCVEGCSA-N 0 1 263.385 3.553 20 0 CHADMN C[C@H](OC(=O)CC1CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000111990139 1123472867 /nfs/dbraw/zinc/47/28/67/1123472867.db2.gz ZAHCXCSNXSDHGG-QMMMGPOBSA-N 0 1 278.739 3.621 20 0 CHADMN Cc1ncoc1CN[C@@H]1CCCc2ccc(Cl)cc21 ZINC000895415927 1123476898 /nfs/dbraw/zinc/47/68/98/1123476898.db2.gz OZZCKGGQDHRWSN-CQSZACIVSA-N 0 1 276.767 3.804 20 0 CHADMN COCCCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000114096666 1123480868 /nfs/dbraw/zinc/48/08/68/1123480868.db2.gz AJLKLDTYUVKERX-UHFFFAOYSA-N 0 1 297.811 3.644 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1cc2c(cccc2O)s1 ZINC000895476967 1123485077 /nfs/dbraw/zinc/48/50/77/1123485077.db2.gz OFHNCRBAHNNRBF-NSHDSACASA-N 0 1 299.399 3.556 20 0 CHADMN CC1(C)C[C@]1(NCc1cn2ccnc2s1)c1ccccc1 ZINC000895482259 1123486178 /nfs/dbraw/zinc/48/61/78/1123486178.db2.gz SLXQUOWFQZNISU-KRWDZBQOSA-N 0 1 297.427 3.811 20 0 CHADMN Cc1cnc([C@@H](C)N(C)CCc2ccc(Cl)cc2)o1 ZINC000543702955 1123499229 /nfs/dbraw/zinc/49/92/29/1123499229.db2.gz XJOXVAZMHYZXFU-GFCCVEGCSA-N 0 1 278.783 3.872 20 0 CHADMN CC[C@H](NCc1cncc(OC)c1C)c1ccccc1F ZINC000631167608 1123499874 /nfs/dbraw/zinc/49/98/74/1123499874.db2.gz NVFBIXVDTWFGTG-INIZCTEOSA-N 0 1 288.366 3.779 20 0 CHADMN CCCCc1nc(CN[C@H]2CCCC[C@H]2OC)cs1 ZINC000429516296 1123502534 /nfs/dbraw/zinc/50/25/34/1123502534.db2.gz CZMPRDPHPLZSNA-UONOGXRCSA-N 0 1 282.453 3.533 20 0 CHADMN c1c2ccccc2[nH]c1CN1CCC2(CCCCO2)CC1 ZINC000895653012 1123503527 /nfs/dbraw/zinc/50/35/27/1123503527.db2.gz CKBCWUXXUMYODO-UHFFFAOYSA-N 0 1 284.403 3.703 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1csc(C(=O)[O-])c1)C(C)(C)C ZINC000634697379 1129125996 /nfs/dbraw/zinc/12/59/96/1129125996.db2.gz IAZDMATWOMZLBL-SNVBAGLBSA-N 0 1 269.410 3.560 20 0 CHADMN C[C@H](Cc1ccccc1Cl)N[C@H](C)c1ncco1 ZINC000895763278 1123511785 /nfs/dbraw/zinc/51/17/85/1123511785.db2.gz BWXBJXBYAKNEHD-GHMZBOCLSA-N 0 1 264.756 3.610 20 0 CHADMN Cc1ccc(N(C)C(=O)c2cccc3c[nH]nc32)cc1Cl ZINC000113191626 1123512774 /nfs/dbraw/zinc/51/27/74/1123512774.db2.gz NTXWPLNXZGJZFF-UHFFFAOYSA-N 0 1 299.761 3.801 20 0 CHADMN CCN(c1ccc(N[C@H](C)[C@H](C)OC)cc1)C(C)C ZINC000776802782 1123515181 /nfs/dbraw/zinc/51/51/81/1123515181.db2.gz XTXCFUADTJNANY-KGLIPLIRSA-N 0 1 264.413 3.757 20 0 CHADMN CCN(c1ccc(N[C@H](C)[C@@H](C)OC)cc1)C(C)C ZINC000776802784 1123515236 /nfs/dbraw/zinc/51/52/36/1123515236.db2.gz XTXCFUADTJNANY-ZIAGYGMSSA-N 0 1 264.413 3.757 20 0 CHADMN CN(CC(=O)Nc1ccccc1-c1ccccc1)CC1CC1 ZINC000053183815 1123525220 /nfs/dbraw/zinc/52/52/20/1123525220.db2.gz XKKYLWVYKCZTJQ-UHFFFAOYSA-N 0 1 294.398 3.634 20 0 CHADMN Cc1cc(F)ncc1CN[C@H](C)c1cc2cnccc2o1 ZINC000895868545 1123525462 /nfs/dbraw/zinc/52/54/62/1123525462.db2.gz DCNGPDWSIDYPCE-LLVKDONJSA-N 0 1 285.322 3.521 20 0 CHADMN COc1ccc(CNCc2ccc(C(C)(C)C)s2)o1 ZINC000895930918 1123531871 /nfs/dbraw/zinc/53/18/71/1123531871.db2.gz QQFJKWZHKNPMON-UHFFFAOYSA-N 0 1 279.405 3.937 20 0 CHADMN COCC1CN(Cc2cccc(Oc3ccccc3)c2)C1 ZINC000895971305 1123537403 /nfs/dbraw/zinc/53/74/03/1123537403.db2.gz LWNIESNHVAOCJU-UHFFFAOYSA-N 0 1 283.371 3.557 20 0 CHADMN CCc1cc(C(=O)N(CCC(C)C)CCC(C)C)n[nH]1 ZINC000097218937 1123538308 /nfs/dbraw/zinc/53/83/08/1123538308.db2.gz TXSWHVHAIKOUTA-UHFFFAOYSA-N 0 1 279.428 3.507 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccnn1C)c1sccc1Cl ZINC000883243756 1123542980 /nfs/dbraw/zinc/54/29/80/1123542980.db2.gz WSCLSDFUGMXZOA-ONGXEEELSA-N 0 1 283.828 3.937 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000054300326 1123558599 /nfs/dbraw/zinc/55/85/99/1123558599.db2.gz ZGXAQVKTIDZOBR-CQSZACIVSA-N 0 1 283.371 3.527 20 0 CHADMN Cc1nn(C)c(Cl)c1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000114563996 1123565773 /nfs/dbraw/zinc/56/57/73/1123565773.db2.gz VZQFEINNWYDILW-INIZCTEOSA-N 0 1 293.842 3.704 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N2CCCCCCC2)c(F)c1 ZINC000856884313 1123572942 /nfs/dbraw/zinc/57/29/42/1123572942.db2.gz XMLAOLJDGFZFEU-CQSZACIVSA-N 0 1 292.398 3.727 20 0 CHADMN Fc1ccc([C@@H](NCC2CCCCC2)c2cnccn2)cc1 ZINC000544367636 1123573559 /nfs/dbraw/zinc/57/35/59/1123573559.db2.gz FZGYDZUTRDEQKV-GOSISDBHSA-N 0 1 299.393 3.875 20 0 CHADMN CCOc1cncc(CN2Cc3ccccc3[C@@H](C)C2)c1 ZINC000857011106 1123578058 /nfs/dbraw/zinc/57/80/58/1123578058.db2.gz JLFIDBZWFQHHGI-AWEZNQCLSA-N 0 1 282.387 3.600 20 0 CHADMN Cc1ncc(CN(C)[C@@H](C)c2cccs2)s1 ZINC000098130136 1123582419 /nfs/dbraw/zinc/58/24/19/1123582419.db2.gz GHDRNUSMCHUUJK-VIFPVBQESA-N 0 1 252.408 3.706 20 0 CHADMN Cc1cccc(NCC[C@@H]2OCCc3ccccc32)n1 ZINC000896535706 1123595482 /nfs/dbraw/zinc/59/54/82/1123595482.db2.gz MRXBDSKPAJYKNK-INIZCTEOSA-N 0 1 268.360 3.506 20 0 CHADMN COCc1cccc(C[N@@H+](C)Cc2cccc(F)c2)c1 ZINC000179190409 1123600626 /nfs/dbraw/zinc/60/06/26/1123600626.db2.gz ULUKGQAIRYHMKJ-UHFFFAOYSA-N 0 1 273.351 3.604 20 0 CHADMN CC(C)c1ncsc1NC(=O)c1ccc(O)c(Cl)c1 ZINC000857526905 1123605143 /nfs/dbraw/zinc/60/51/43/1123605143.db2.gz ODAIRCQUHCZWDT-UHFFFAOYSA-N 0 1 296.779 3.878 20 0 CHADMN Cc1nnc([C@H](C)NCCCCc2ccccc2)s1 ZINC000274866501 1129133165 /nfs/dbraw/zinc/13/31/65/1129133165.db2.gz VUNKLRQYAYNJNE-LBPRGKRZSA-N 0 1 275.421 3.520 20 0 CHADMN CCn1nc(C)c(CN(C)[C@H](C)c2cccs2)c1C ZINC000157821379 1129133363 /nfs/dbraw/zinc/13/33/63/1129133363.db2.gz CRCDFCYDXIBCMX-CYBMUJFWSA-N 0 1 277.437 3.774 20 0 CHADMN COC(=O)c1ccoc1C[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000339006358 1123617670 /nfs/dbraw/zinc/61/76/70/1123617670.db2.gz GCGGQNLPACKRBP-UHFFFAOYSA-N 0 1 291.391 3.609 20 0 CHADMN COC(=O)c1ccoc1CN(C1CC1)C1CCC(C)CC1 ZINC000339006358 1123617672 /nfs/dbraw/zinc/61/76/72/1123617672.db2.gz GCGGQNLPACKRBP-UHFFFAOYSA-N 0 1 291.391 3.609 20 0 CHADMN Cc1nc2ccccc2nc1CNC(C)(C)/C=C/Cl ZINC000896747363 1123618710 /nfs/dbraw/zinc/61/87/10/1123618710.db2.gz KIQFHPCGZIWODN-CMDGGOBGSA-N 0 1 275.783 3.559 20 0 CHADMN CC(C)Oc1cccc([C@H](C)N[C@H]2CCCc3c[nH]nc32)c1 ZINC000857846759 1123621065 /nfs/dbraw/zinc/62/10/65/1123621065.db2.gz GQYFGSHDXZUHFU-GUYCJALGSA-N 0 1 299.418 3.925 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2cn[nH]c21)c1c(F)cccc1Cl ZINC000857857175 1123622027 /nfs/dbraw/zinc/62/20/27/1123622027.db2.gz BCGXYZYVUKJACG-NOZJJQNGSA-N 0 1 293.773 3.930 20 0 CHADMN Fc1cccc(CN[C@@H]2CCc3ccc(Cl)nc32)c1 ZINC000857903467 1123625523 /nfs/dbraw/zinc/62/55/23/1123625523.db2.gz ZVJZCVTUHPLQER-CYBMUJFWSA-N 0 1 276.742 3.651 20 0 CHADMN C[C@H]1CCCC[C@H]1c1noc(-c2ccc3cncn3c2)n1 ZINC000329577890 1123625902 /nfs/dbraw/zinc/62/59/02/1123625902.db2.gz KKDSRXXZEPHFLP-SMDDNHRTSA-N 0 1 282.347 3.678 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccc(F)cc2C)o1 ZINC000896805011 1123627083 /nfs/dbraw/zinc/62/70/83/1123627083.db2.gz QRCCMROMKPCSDM-LBPRGKRZSA-N 0 1 277.339 3.977 20 0 CHADMN Cc1ccc(CSc2nc(C3CC3)n[nH]2)cc1C ZINC000192127779 1123635608 /nfs/dbraw/zinc/63/56/08/1123635608.db2.gz FGEONAHSAGMGOL-UHFFFAOYSA-N 0 1 259.378 3.591 20 0 CHADMN Cc1ccc(CSc2n[nH]c(C3CC3)n2)cc1C ZINC000192127779 1123635611 /nfs/dbraw/zinc/63/56/11/1123635611.db2.gz FGEONAHSAGMGOL-UHFFFAOYSA-N 0 1 259.378 3.591 20 0 CHADMN c1cc2c(s1)CN(Cc1scnc1C1CC1)CC2 ZINC000336108383 1123637198 /nfs/dbraw/zinc/63/71/98/1123637198.db2.gz UYPUCJCVGCAUCM-UHFFFAOYSA-N 0 1 276.430 3.640 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1cc2ccccc2o1)C(F)(F)F ZINC000777011256 1123640946 /nfs/dbraw/zinc/64/09/46/1123640946.db2.gz MBKXPYSZBMVUSC-ZANVPECISA-N 0 1 287.281 3.661 20 0 CHADMN Cc1csc(CNCC2(C(F)(F)F)CCCC2)n1 ZINC000858307852 1123642406 /nfs/dbraw/zinc/64/24/06/1123642406.db2.gz OJSPGSGUQJXWJD-UHFFFAOYSA-N 0 1 278.343 3.664 20 0 CHADMN CC[C@@H](NCc1ncc(Cl)n1C)c1cc(C)ccc1C ZINC000858296720 1123642531 /nfs/dbraw/zinc/64/25/31/1123642531.db2.gz ZALJLRKALGFZGS-CQSZACIVSA-N 0 1 291.826 3.931 20 0 CHADMN CCCc1nc(C)c(CN2CCC[C@@H]2c2cccnc2)o1 ZINC000428309456 1123643959 /nfs/dbraw/zinc/64/39/59/1123643959.db2.gz MAHAQJQTKFQBPD-OAHLLOKOSA-N 0 1 285.391 3.668 20 0 CHADMN CC[C@@]1(C)CN(C/C(C)=C\c2ccccc2)CCO1 ZINC000443848930 1123644001 /nfs/dbraw/zinc/64/40/01/1123644001.db2.gz BNOGRTPSNZXVCA-KSVUCXBSSA-N 0 1 259.393 3.591 20 0 CHADMN COC(=O)c1ccc(CN(Cc2ccccc2C)C2CC2)o1 ZINC000036150507 1123645184 /nfs/dbraw/zinc/64/51/84/1123645184.db2.gz DHUQLMBKSTXROV-UHFFFAOYSA-N 0 1 299.370 3.539 20 0 CHADMN COc1ccc([C@H](NCc2cc(C)oc2C)C2CC2)cn1 ZINC000858342602 1123646530 /nfs/dbraw/zinc/64/65/30/1123646530.db2.gz VWDUPDJYCBYUSN-QGZVFWFLSA-N 0 1 286.375 3.541 20 0 CHADMN Cc1cnc(C2CCN(Cc3scnc3C)CC2)s1 ZINC000335906237 1123650850 /nfs/dbraw/zinc/65/08/50/1123650850.db2.gz PFXFYIXNTVRXMF-UHFFFAOYSA-N 0 1 293.461 3.596 20 0 CHADMN C[C@H]1CC[C@H](c2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000329734750 1123651462 /nfs/dbraw/zinc/65/14/62/1123651462.db2.gz RPRLJAHYSGPBKF-ONGXEEELSA-N 0 1 268.320 3.517 20 0 CHADMN C[C@@H]1CC[C@H](c2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000329734748 1123651601 /nfs/dbraw/zinc/65/16/01/1123651601.db2.gz RPRLJAHYSGPBKF-KOLCDFICSA-N 0 1 268.320 3.517 20 0 CHADMN C[C@@H]1CC[C@@H](c2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000329734749 1123651688 /nfs/dbraw/zinc/65/16/88/1123651688.db2.gz RPRLJAHYSGPBKF-MWLCHTKSSA-N 0 1 268.320 3.517 20 0 CHADMN Cc1csc([C@@H](C)N[C@H](C)[C@@H](O)c2ccc(C)cc2)n1 ZINC000858416171 1123652285 /nfs/dbraw/zinc/65/22/85/1123652285.db2.gz KCSZYCKRGSPEGZ-UMVBOHGHSA-N 0 1 290.432 3.533 20 0 CHADMN CCC[C@@H](C)CC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000346156105 1123668206 /nfs/dbraw/zinc/66/82/06/1123668206.db2.gz CREUBKFZIBYSIV-HUUCEWRRSA-N 0 1 294.439 3.605 20 0 CHADMN C[C@H]1CN(Cc2cnc([C@H]3CCCO3)s2)CC(C)(C)C1 ZINC000346323415 1123678614 /nfs/dbraw/zinc/67/86/14/1123678614.db2.gz IMBSVXXTCYFQSU-TZMCWYRMSA-N 0 1 294.464 3.863 20 0 CHADMN CCCN(CC)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000346326933 1123678684 /nfs/dbraw/zinc/67/86/84/1123678684.db2.gz YKWSLICZNHGAHU-UHFFFAOYSA-N 0 1 274.364 3.582 20 0 CHADMN Fc1cc(CN2CCC(Cc3ccccc3)CC2)ccn1 ZINC000859056125 1123681681 /nfs/dbraw/zinc/68/16/81/1123681681.db2.gz SASWZMWPRLYVLF-UHFFFAOYSA-N 0 1 284.378 3.675 20 0 CHADMN C[C@H](NCCF)c1ccc(SCC(F)(F)F)cc1 ZINC000281129733 1123683223 /nfs/dbraw/zinc/68/32/23/1123683223.db2.gz SWJUFQKAOXTPCM-VIFPVBQESA-N 0 1 281.318 3.961 20 0 CHADMN CCN(Cc1ccnc(F)c1)[C@H](C)c1ccc(F)cc1 ZINC000859089689 1123683808 /nfs/dbraw/zinc/68/38/08/1123683808.db2.gz IUUCKMDDNCJCSB-GFCCVEGCSA-N 0 1 276.330 3.943 20 0 CHADMN CC[C@H](NCc1ccc(F)cn1)c1ccc(C)cc1 ZINC000346509614 1123690539 /nfs/dbraw/zinc/69/05/39/1123690539.db2.gz WRNSTHHWRHCIGK-INIZCTEOSA-N 0 1 258.340 3.770 20 0 CHADMN Cc1nn(C(C)C)cc1CNCc1ccc(F)c(Cl)c1 ZINC000281263112 1123691705 /nfs/dbraw/zinc/69/17/05/1123691705.db2.gz HBOKBZMXWCSJDT-UHFFFAOYSA-N 0 1 295.789 3.855 20 0 CHADMN Fc1cc(CN2CCC(c3ccsc3)CC2)ccn1 ZINC000859262056 1123692896 /nfs/dbraw/zinc/69/28/96/1123692896.db2.gz IICVNLLLEMUEEF-UHFFFAOYSA-N 0 1 276.380 3.662 20 0 CHADMN O=C(CN1CCCC12CCC2)c1c[nH]c2ccc(F)cc12 ZINC000859281113 1123694205 /nfs/dbraw/zinc/69/42/05/1123694205.db2.gz NXWKVDFXBYFUEA-UHFFFAOYSA-N 0 1 286.350 3.508 20 0 CHADMN Cc1ccccc1SC[C@H](C)C[N@@H+](C)Cc1c[nH]cn1 ZINC000859343428 1123694955 /nfs/dbraw/zinc/69/49/55/1123694955.db2.gz XQQVBCLAOSQGRZ-CYBMUJFWSA-N 0 1 289.448 3.578 20 0 CHADMN Cc1ccccc1SC[C@H](C)CN(C)Cc1c[nH]cn1 ZINC000859343428 1123694957 /nfs/dbraw/zinc/69/49/57/1123694957.db2.gz XQQVBCLAOSQGRZ-CYBMUJFWSA-N 0 1 289.448 3.578 20 0 CHADMN CC[C@H](C)[C@](C)(O)CN[C@@H](C)c1csc(C(C)C)n1 ZINC000346614226 1123698640 /nfs/dbraw/zinc/69/86/40/1123698640.db2.gz NCRUKKARRLUCGE-SLEUVZQESA-N 0 1 284.469 3.714 20 0 CHADMN Fc1cccc(CN[C@H](c2cncc(F)c2)C2CC2)c1 ZINC000281417157 1123709176 /nfs/dbraw/zinc/70/91/76/1123709176.db2.gz ZSTGSFDSTCKYDZ-INIZCTEOSA-N 0 1 274.314 3.601 20 0 CHADMN CC(C)(CC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21)C(=O)[O-] ZINC000859783450 1123709750 /nfs/dbraw/zinc/70/97/50/1123709750.db2.gz VIYHNYIJLJIUOE-MRXNPFEDSA-N 0 1 287.403 3.639 20 0 CHADMN C/C=C/C[C@H]1CCCN(Cc2ncc(C(C)C)o2)C1 ZINC000860178863 1123724073 /nfs/dbraw/zinc/72/40/73/1123724073.db2.gz FJZHJHAOJUUCSX-NNTXTVRGSA-N 0 1 262.397 3.976 20 0 CHADMN CC[C@](C)(NCc1nc(C)cs1)c1ccccc1 ZINC000117385650 1123728569 /nfs/dbraw/zinc/72/85/69/1123728569.db2.gz JTBZYMWPTJALNY-HNNXBMFYSA-N 0 1 260.406 3.867 20 0 CHADMN C[C@@H](CC1CCCC1)C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000346875574 1123729030 /nfs/dbraw/zinc/72/90/30/1123729030.db2.gz HMHAHMMODZSZPN-LBPRGKRZSA-N 0 1 298.390 3.627 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1ccncc1 ZINC000281645813 1123734314 /nfs/dbraw/zinc/73/43/14/1123734314.db2.gz JIEXDJMJLYFHNA-LBPRGKRZSA-N 0 1 258.390 3.654 20 0 CHADMN Cc1ccccc1C[C@H](C)C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000860865597 1123754422 /nfs/dbraw/zinc/75/44/22/1123754422.db2.gz MHNYYDVMCWJQQY-ZDUSSCGKSA-N 0 1 298.386 3.518 20 0 CHADMN Cc1cccc2nc(CCC(=O)N3CCCCC[C@H]3C)[nH]c21 ZINC000336272647 1123754779 /nfs/dbraw/zinc/75/47/79/1123754779.db2.gz BWPKUQVULUVQIF-CQSZACIVSA-N 0 1 299.418 3.595 20 0 CHADMN Cc1n[nH]cc1CN[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000336332891 1123761922 /nfs/dbraw/zinc/76/19/22/1123761922.db2.gz IDNHWNHDDINWSV-CQSZACIVSA-N 0 1 296.201 3.802 20 0 CHADMN Cc1nc(CN2CCC3(CCCC3)CC2)cs1 ZINC000158392829 1129143688 /nfs/dbraw/zinc/14/36/88/1129143688.db2.gz ZNZIGTKFKUCRNR-UHFFFAOYSA-N 0 1 250.411 3.608 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N[C@@H]2CCCc3c[nH]nc32)c1 ZINC000336359524 1123765383 /nfs/dbraw/zinc/76/53/83/1123765383.db2.gz IODOZVDYDDXJPT-CZUORRHYSA-N 0 1 269.392 3.755 20 0 CHADMN c1nc(C[N@H+]2CCC3(C2)CCCCC3)oc1C1CC1 ZINC000336368781 1123765512 /nfs/dbraw/zinc/76/55/12/1123765512.db2.gz UYLDUWKIAUTKLH-UHFFFAOYSA-N 0 1 260.381 3.708 20 0 CHADMN c1nc(CN2CCC3(C2)CCCCC3)oc1C1CC1 ZINC000336368781 1123765516 /nfs/dbraw/zinc/76/55/16/1123765516.db2.gz UYLDUWKIAUTKLH-UHFFFAOYSA-N 0 1 260.381 3.708 20 0 CHADMN CCN(CC(=O)N[C@H](C)c1cccc2ccccc21)C1CC1 ZINC000029913420 1123776231 /nfs/dbraw/zinc/77/62/31/1123776231.db2.gz NBHUANBXJRGVHQ-CQSZACIVSA-N 0 1 296.414 3.501 20 0 CHADMN CN(Cc1cc(-c2ccc(Cl)cc2)no1)C1CC1 ZINC000042123772 1123780622 /nfs/dbraw/zinc/78/06/22/1123780622.db2.gz UGTVSFKMFYJPJQ-UHFFFAOYSA-N 0 1 262.740 3.589 20 0 CHADMN C[C@H](NCc1cn2ccccc2n1)c1ccc(Cl)cc1 ZINC000042300560 1123783143 /nfs/dbraw/zinc/78/31/43/1123783143.db2.gz AKQAFKRMMOUBMS-LBPRGKRZSA-N 0 1 285.778 3.839 20 0 CHADMN Cc1c(CN(Cc2ccc(F)cc2)C2CC2)ccnc1F ZINC000862210455 1123791745 /nfs/dbraw/zinc/79/17/45/1123791745.db2.gz LUDGCWLEZYXEAK-UHFFFAOYSA-N 0 1 288.341 3.833 20 0 CHADMN Cc1ncc(CN2CC=C(c3ccc(C)cc3)CC2)o1 ZINC000862216704 1123793111 /nfs/dbraw/zinc/79/31/11/1123793111.db2.gz KBOADEMOONMYDB-UHFFFAOYSA-N 0 1 268.360 3.581 20 0 CHADMN Cc1cccnc1[C@@H](NCc1ccc(Cl)nc1)C(C)C ZINC000118839209 1123794624 /nfs/dbraw/zinc/79/46/24/1123794624.db2.gz MDEKHUCTNWRALY-HNNXBMFYSA-N 0 1 289.810 3.925 20 0 CHADMN Cc1ccc(CN(C)Cc2ccnc(F)c2C)s1 ZINC000862238751 1123794796 /nfs/dbraw/zinc/79/47/96/1123794796.db2.gz INHRTQSGKLQGSQ-UHFFFAOYSA-N 0 1 264.369 3.531 20 0 CHADMN Cc1c(CN(CCC(F)(F)F)CC2CC2)ccnc1F ZINC000862252440 1123795466 /nfs/dbraw/zinc/79/54/66/1123795466.db2.gz UCRQKBCPNNHMTP-UHFFFAOYSA-N 0 1 290.304 3.694 20 0 CHADMN Cc1c(F)nccc1CNCc1ccc(Cl)s1 ZINC000862264100 1123796088 /nfs/dbraw/zinc/79/60/88/1123796088.db2.gz YTJYGGYSLJTNIS-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN Cc1c(CN[C@@H]2CCCOc3ccccc32)ccnc1F ZINC000862274318 1123797134 /nfs/dbraw/zinc/79/71/34/1123797134.db2.gz JJJZPGMKWCYVAO-OAHLLOKOSA-N 0 1 286.350 3.533 20 0 CHADMN CCC1(CC)CN(Cc2ccnc(F)c2C)CCS1 ZINC000862325035 1123800288 /nfs/dbraw/zinc/80/02/88/1123800288.db2.gz AVRUZUZNIFIVIB-UHFFFAOYSA-N 0 1 282.428 3.637 20 0 CHADMN Cc1nc(CN2C[C@@H](C)C[C@H]2c2ccccc2)[nH]c1C ZINC000862365543 1123803442 /nfs/dbraw/zinc/80/34/42/1123803442.db2.gz BHFMBVBMNXBJQL-LRDDRELGSA-N 0 1 269.392 3.610 20 0 CHADMN Cc1cccc(CN(C)Cc2ccnc(F)c2C)c1C ZINC000862376343 1123804826 /nfs/dbraw/zinc/80/48/26/1123804826.db2.gz WWMFJTVNFUSKJP-UHFFFAOYSA-N 0 1 272.367 3.778 20 0 CHADMN Cc1c(CN2CC[C@H](C(F)(F)F)C[C@H]2C)ccnc1F ZINC000862384131 1123806268 /nfs/dbraw/zinc/80/62/68/1123806268.db2.gz OOYRLLYFKVNTEY-SKDRFNHKSA-N 0 1 290.304 3.692 20 0 CHADMN Cc1c(CNC2(c3cccc(F)c3)CCC2)ccnc1F ZINC000862400492 1123807766 /nfs/dbraw/zinc/80/77/66/1123807766.db2.gz YMHBJSIDHHPZBL-UHFFFAOYSA-N 0 1 288.341 3.837 20 0 CHADMN Cc1ccc(CC2CN(Cc3ccnc(F)c3C)C2)cc1 ZINC000862416044 1123808117 /nfs/dbraw/zinc/80/81/17/1123808117.db2.gz LHBCDXMHRIWEMQ-UHFFFAOYSA-N 0 1 284.378 3.512 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3cccnc32)cc(Cl)n1 ZINC000897071789 1123809870 /nfs/dbraw/zinc/80/98/70/1123809870.db2.gz MEEDXMMPSOUHAL-CQSZACIVSA-N 0 1 287.794 3.606 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CN[C@@H]1CCCc2cccnc21 ZINC000897071157 1123810333 /nfs/dbraw/zinc/81/03/33/1123810333.db2.gz WXDNVPOBNHZHCQ-QGZVFWFLSA-N 0 1 298.434 3.643 20 0 CHADMN CC(C)c1ncc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)s1 ZINC000862444326 1123810774 /nfs/dbraw/zinc/81/07/74/1123810774.db2.gz VMPZISHMHVGGJX-QWRGUYRKSA-N 0 1 288.407 3.990 20 0 CHADMN Oc1ccc(-c2nc(CC3CCCC3)no2)cc1Cl ZINC000379190353 1123813632 /nfs/dbraw/zinc/81/36/32/1123813632.db2.gz YCBQLIJUUQALNB-UHFFFAOYSA-N 0 1 278.739 3.828 20 0 CHADMN CCN(Cc1ccc(Cl)s1)Cc1ccc(CO)cc1 ZINC000182595613 1123841433 /nfs/dbraw/zinc/84/14/33/1123841433.db2.gz GGAOBODORQBOGK-UHFFFAOYSA-N 0 1 295.835 3.916 20 0 CHADMN C[C@H](NCCCCOC(C)(C)C)c1nc(C(C)(C)C)no1 ZINC000475333764 1123846612 /nfs/dbraw/zinc/84/66/12/1123846612.db2.gz SXWZYIXUJRALJF-LBPRGKRZSA-N 0 1 297.443 3.613 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3cc(F)ccc32)c(C)o1 ZINC000119336073 1123852683 /nfs/dbraw/zinc/85/26/83/1123852683.db2.gz LLPMJNUFSQASSK-MRXNPFEDSA-N 0 1 259.324 3.813 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1ccc(C)cn1 ZINC000475383572 1123853926 /nfs/dbraw/zinc/85/39/26/1123853926.db2.gz MWSQSUHQFKUEQG-WJDWOHSUSA-N 0 1 266.388 3.925 20 0 CHADMN CC[C@@H](NC(=O)C(C)=CC1CCC(C)CC1)c1ncc[nH]1 ZINC000867456893 1123867198 /nfs/dbraw/zinc/86/71/98/1123867198.db2.gz BTDPIMJHNQHWPF-XHCCCOTNSA-N 0 1 289.423 3.750 20 0 CHADMN Cc1ccccc1CNCc1sccc1Cl ZINC000192981070 1123868020 /nfs/dbraw/zinc/86/80/20/1123868020.db2.gz JBEKMSWPURMUBG-UHFFFAOYSA-N 0 1 251.782 4.000 20 0 CHADMN [O-]c1ccc(C[NH2+]Cc2cccc3cccnc32)cc1Cl ZINC000083552295 1129150769 /nfs/dbraw/zinc/15/07/69/1129150769.db2.gz CGHDVOUXVKKIMS-UHFFFAOYSA-N 0 1 298.773 3.884 20 0 CHADMN Cc1cc(Cl)ccc1C[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000863476494 1123871576 /nfs/dbraw/zinc/87/15/76/1123871576.db2.gz GZXGHWIBTDGLAB-DABQJJPHSA-N 0 1 295.810 3.722 20 0 CHADMN C[C@@H](CC(C)(C)c1ccccc1)Nc1ncnc2[nH]cnc21 ZINC000301116039 1123876219 /nfs/dbraw/zinc/87/62/19/1123876219.db2.gz MFIQCDIJTRRBAC-LBPRGKRZSA-N 0 1 295.390 3.521 20 0 CHADMN CCN[C@@H](C)c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000863672926 1123888289 /nfs/dbraw/zinc/88/82/89/1123888289.db2.gz PHTOUCKYNNMOFG-NSHDSACASA-N 0 1 273.380 3.705 20 0 CHADMN CCN[C@@H](C)c1nc(-c2ccc(C(C)(F)F)cc2)no1 ZINC000863675611 1123888510 /nfs/dbraw/zinc/88/85/10/1123888510.db2.gz WKJZGAYJMOUBEM-VIFPVBQESA-N 0 1 281.306 3.519 20 0 CHADMN Cc1nc(CCNc2ccnc3cc(F)ccc32)cs1 ZINC000301305922 1123889560 /nfs/dbraw/zinc/88/95/60/1123889560.db2.gz ZXJBQAFWCWBTFO-UHFFFAOYSA-N 0 1 287.363 3.793 20 0 CHADMN Clc1cncc(CN(Cc2ccccc2)C2CC2)c1 ZINC000621244057 1129152007 /nfs/dbraw/zinc/15/20/07/1129152007.db2.gz AILQDHUCGLNKNI-UHFFFAOYSA-N 0 1 272.779 3.900 20 0 CHADMN CC1(C)[C@H](Nc2ccnc3cc(F)ccc32)[C@H]2CCO[C@H]21 ZINC000301324800 1123891629 /nfs/dbraw/zinc/89/16/29/1123891629.db2.gz AFPLESUYNRVCRO-DAXOMENPSA-N 0 1 286.350 3.599 20 0 CHADMN CSC[C@@H](C)Nc1ccnc2cc(F)ccc21 ZINC000301333730 1123891853 /nfs/dbraw/zinc/89/18/53/1123891853.db2.gz MOTXTOGSBYJTAD-SECBINFHSA-N 0 1 250.342 3.537 20 0 CHADMN FC(F)[C@H]1CCN(Cc2cc3ccccc3c(Cl)n2)C1 ZINC000794563022 1123898225 /nfs/dbraw/zinc/89/82/25/1123898225.db2.gz SDXQDVIPUUJQIE-NSHDSACASA-N 0 1 296.748 3.975 20 0 CHADMN C[C@H](NC(=O)Nc1ccc(F)c(F)c1O)c1ccccc1 ZINC001202510649 1123898982 /nfs/dbraw/zinc/89/89/82/1123898982.db2.gz UMHMTAKIQOLTGI-VIFPVBQESA-N 0 1 292.285 3.553 20 0 CHADMN C[C@@H]1CN(c2ccnc3cc(F)ccc32)C[C@H](C)S1 ZINC000301450356 1123901294 /nfs/dbraw/zinc/90/12/94/1123901294.db2.gz FQRZAVFXODPELL-PHIMTYICSA-N 0 1 276.380 3.704 20 0 CHADMN C/C(=C/c1nc([C@H](N)CC(C)C)no1)c1cccs1 ZINC000621245884 1129152658 /nfs/dbraw/zinc/15/26/58/1129152658.db2.gz APMIBEQBVXFCBL-HIJJYWJESA-N 0 1 277.393 3.738 20 0 CHADMN Fc1ccccc1[C@@H]1CCN(Cc2cncc(Cl)c2)C1 ZINC000621256475 1129152781 /nfs/dbraw/zinc/15/27/81/1129152781.db2.gz HTECTCDVBLWHBX-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC000621284098 1129158091 /nfs/dbraw/zinc/15/80/91/1129158091.db2.gz IDOMIDDZJSHMHH-ZDUSSCGKSA-N 0 1 252.789 3.603 20 0 CHADMN Cc1cc(NC[C@H]2CCCS2)c2cc(F)ccc2n1 ZINC000301661357 1123921191 /nfs/dbraw/zinc/92/11/91/1123921191.db2.gz JPMJKLXZBVYJHC-GFCCVEGCSA-N 0 1 276.380 3.990 20 0 CHADMN CC=C(C=CC(=O)Nc1cc(C(=O)CC)ccc1O)CC ZINC000794608340 1123922313 /nfs/dbraw/zinc/92/23/13/1123922313.db2.gz HZAZJLZIXFBEGQ-FFKWBEBTSA-N 0 1 287.359 3.836 20 0 CHADMN Cc1cccc(NCCCO[C@@H](C)c2ccccc2)n1 ZINC000301707245 1123925879 /nfs/dbraw/zinc/92/58/79/1123925879.db2.gz GQFJUXKQRJMINW-HNNXBMFYSA-N 0 1 270.376 3.970 20 0 CHADMN CCC(CC)(CO)CNc1ccnc2cc(F)ccc21 ZINC000301777656 1123931619 /nfs/dbraw/zinc/93/16/19/1123931619.db2.gz PNOVYEYDZJEHHR-UHFFFAOYSA-N 0 1 276.355 3.585 20 0 CHADMN CCC[C@@H]1CN(c2cc(C)nc3ccc(F)cc32)CCO1 ZINC000301847021 1123937246 /nfs/dbraw/zinc/93/72/46/1123937246.db2.gz UOQRVJPWGLZEAZ-CQSZACIVSA-N 0 1 288.366 3.688 20 0 CHADMN CCc1cccc(NC(=O)[C@H](C)N(C)Cc2ccccc2)c1 ZINC000621266490 1129154714 /nfs/dbraw/zinc/15/47/14/1129154714.db2.gz NPXKNAJTHUVYKA-HNNXBMFYSA-N 0 1 296.414 3.708 20 0 CHADMN COc1ccccc1[C@H](C)NCc1cc(C)oc1C ZINC000163238870 1123955250 /nfs/dbraw/zinc/95/52/50/1123955250.db2.gz XCHXJCMAAJWPIG-LBPRGKRZSA-N 0 1 259.349 3.756 20 0 CHADMN CCC[C@H](NCc1cccnc1F)c1ccc(OC)cc1 ZINC000794828749 1123962066 /nfs/dbraw/zinc/96/20/66/1123962066.db2.gz NWECPJJUBFWRLZ-INIZCTEOSA-N 0 1 288.366 3.860 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1ccc2ncccc2c1 ZINC000794829858 1123962080 /nfs/dbraw/zinc/96/20/80/1123962080.db2.gz RVDGZKAVNNBVHX-LBPRGKRZSA-N 0 1 295.386 3.944 20 0 CHADMN Cc1cc(N(C)[C@H](CO)CC(C)C)c2cc(F)ccc2n1 ZINC000302382635 1123967619 /nfs/dbraw/zinc/96/76/19/1123967619.db2.gz IGBPRJPFPCCQEN-AWEZNQCLSA-N 0 1 290.382 3.526 20 0 CHADMN Cc1cc([C@@H](NCc2cccnc2F)C2CC2)ccc1F ZINC000794834580 1123970767 /nfs/dbraw/zinc/97/07/67/1123970767.db2.gz OAZSOUVGPIOGGG-INIZCTEOSA-N 0 1 288.341 3.909 20 0 CHADMN Fc1ncccc1CN[C@@H]1CCCCc2ccccc21 ZINC000794836597 1123971877 /nfs/dbraw/zinc/97/18/77/1123971877.db2.gz UMDDWWKPSDDRQF-MRXNPFEDSA-N 0 1 270.351 3.778 20 0 CHADMN CO[C@H]1CN(c2cc(C)nc3ccc(F)cc32)CC[C@@H]1C ZINC000302566805 1123972703 /nfs/dbraw/zinc/97/27/03/1123972703.db2.gz OWPZSHSNEWUFMQ-GTNSWQLSSA-N 0 1 288.366 3.544 20 0 CHADMN CO[C@H](C)CNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000302688459 1123978415 /nfs/dbraw/zinc/97/84/15/1123978415.db2.gz URIQKHXJKJOBDM-SECBINFHSA-N 0 1 284.281 3.700 20 0 CHADMN CC(C)COCCCNCc1c(Cl)cncc1Cl ZINC000865405876 1123980832 /nfs/dbraw/zinc/98/08/32/1123980832.db2.gz ZAVPCJLYRBLASZ-UHFFFAOYSA-N 0 1 291.222 3.541 20 0 CHADMN Cc1nnc([C@@H](C)NCCCCc2cccc(Cl)c2)o1 ZINC000621278725 1129157385 /nfs/dbraw/zinc/15/73/85/1129157385.db2.gz WZNRXVQXYPHOBS-LLVKDONJSA-N 0 1 293.798 3.705 20 0 CHADMN c1nc(CN[C@@H](c2ccccc2)C2CCC2)cn1C1CC1 ZINC000865449190 1123985416 /nfs/dbraw/zinc/98/54/16/1123985416.db2.gz TWOVONYKTVGXLY-SFHVURJKSA-N 0 1 281.403 3.849 20 0 CHADMN FC(F)(F)c1cnccc1N1CCC[C@H]1c1ccccn1 ZINC000865462936 1123986591 /nfs/dbraw/zinc/98/65/91/1123986591.db2.gz RKWQGUMVICIWAU-AWEZNQCLSA-N 0 1 293.292 3.837 20 0 CHADMN Fc1ccc2c(c1)nccc2NCC1(c2ccccn2)CC1 ZINC000302872402 1123987964 /nfs/dbraw/zinc/98/79/64/1123987964.db2.gz ZQZCFAHNBUAGLG-UHFFFAOYSA-N 0 1 293.345 3.913 20 0 CHADMN CC(C)[C@H](O)C(C)(C)CNCc1nc(C(C)(C)C)cs1 ZINC000865508342 1123990415 /nfs/dbraw/zinc/99/04/15/1123990415.db2.gz DNFBGOYENXNGLC-AWEZNQCLSA-N 0 1 298.496 3.573 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cn(C3CC3)cn1)[C@H](C)C2 ZINC000865524288 1123992513 /nfs/dbraw/zinc/99/25/13/1123992513.db2.gz UJONJHCEIKWIOL-ACJLOTCBSA-N 0 1 281.403 3.550 20 0 CHADMN CSC1(CNCc2c(Cl)cncc2Cl)CCC1 ZINC000865547615 1123994040 /nfs/dbraw/zinc/99/40/40/1123994040.db2.gz XVIAKCRSTYDAPU-UHFFFAOYSA-N 0 1 291.247 3.764 20 0 CHADMN Cc1cc(CN2C[C@H](C(F)(F)F)CC[C@@H]2C)ccn1 ZINC000621276106 1129160265 /nfs/dbraw/zinc/16/02/65/1129160265.db2.gz UOUCYCFTJTWGOT-WCQYABFASA-N 0 1 272.314 3.553 20 0 CHADMN CC(C)Cc1ccc(CNCc2ccnc(F)c2)cc1 ZINC000865723494 1124007338 /nfs/dbraw/zinc/00/73/38/1124007338.db2.gz YOPWDWXGWICDQP-UHFFFAOYSA-N 0 1 272.367 3.709 20 0 CHADMN Fc1cc(CNCc2cccc(CC3CCC3)c2)ccn1 ZINC000865720898 1124007641 /nfs/dbraw/zinc/00/76/41/1124007641.db2.gz KZOBJHNWRZXCHK-UHFFFAOYSA-N 0 1 284.378 3.853 20 0 CHADMN CC(C)(C)c1ccc(CNCc2ccnc(F)c2)s1 ZINC000865721954 1124008259 /nfs/dbraw/zinc/00/82/59/1124008259.db2.gz BTHKLQXRTHBSSQ-UHFFFAOYSA-N 0 1 278.396 3.870 20 0 CHADMN FC(F)(F)[C@@H]1C[C@H]1NCc1ccccc1N1CCCCC1 ZINC000865753416 1124011192 /nfs/dbraw/zinc/01/11/92/1124011192.db2.gz MPXGFFWCCJWJOV-ZIAGYGMSSA-N 0 1 298.352 3.717 20 0 CHADMN CSC[C@H]1CCCN(c2ccncc2C(F)(F)F)C1 ZINC000865828043 1124017417 /nfs/dbraw/zinc/01/74/17/1124017417.db2.gz HXFKSAYLDXESFH-JTQLQIEISA-N 0 1 290.354 3.680 20 0 CHADMN C[C@H](NCc1cccc(F)c1)c1ccc(Cl)nc1 ZINC000179100375 1124018356 /nfs/dbraw/zinc/01/83/56/1124018356.db2.gz BSMDWTBVERPVDM-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN COc1ccc(CC[C@H](C)N[C@H](C)C(C)(F)F)cc1 ZINC000389461635 1124028606 /nfs/dbraw/zinc/02/86/06/1124028606.db2.gz DJTHNYXPYHSGQR-NWDGAFQWSA-N 0 1 271.351 3.650 20 0 CHADMN CCCCC[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)C(C)C ZINC000232986175 1124038154 /nfs/dbraw/zinc/03/81/54/1124038154.db2.gz XGHUQEBVBIRDAE-UHFFFAOYSA-N 0 1 281.371 3.925 20 0 CHADMN OCC[C@H](N[C@H]1CCCc2c(F)cccc21)c1ccco1 ZINC000866342585 1124054380 /nfs/dbraw/zinc/05/43/80/1124054380.db2.gz WWQHNXUMKAOZTJ-HOTGVXAUSA-N 0 1 289.350 3.509 20 0 CHADMN CCCc1ccc(CN[C@H](C)c2ccccn2)s1 ZINC000621325626 1129163340 /nfs/dbraw/zinc/16/33/40/1129163340.db2.gz DNGNHQDMLLBHIL-GFCCVEGCSA-N 0 1 260.406 3.946 20 0 CHADMN Cc1nc(C)c(CN(C)Cc2ccc(F)c(C)c2)s1 ZINC000444739426 1124059005 /nfs/dbraw/zinc/05/90/05/1124059005.db2.gz ROVRNVVDQPZWAI-UHFFFAOYSA-N 0 1 278.396 3.839 20 0 CHADMN CCc1ncc(CN[C@@H]2c3cc(F)ccc3CC[C@@H]2C)o1 ZINC000866371046 1124059362 /nfs/dbraw/zinc/05/93/62/1124059362.db2.gz HHSONCBFULFATH-GTNSWQLSSA-N 0 1 288.366 3.789 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2nc(Cc3ccccc3)no2)C1 ZINC000444751716 1124059675 /nfs/dbraw/zinc/05/96/75/1124059675.db2.gz QJJPQSHBIBOHTA-INIZCTEOSA-N 0 1 299.418 3.528 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2nc(C3CC3)cs2)C1 ZINC000444751421 1124060338 /nfs/dbraw/zinc/06/03/38/1124060338.db2.gz PAANZZSVKKQCGH-CYBMUJFWSA-N 0 1 264.438 3.889 20 0 CHADMN Cc1cccc(NC(=O)CN2CCC[C@H](C(C)C)C2)c1C ZINC000444771831 1124062683 /nfs/dbraw/zinc/06/26/83/1124062683.db2.gz KVOJWJIVTOYXJP-INIZCTEOSA-N 0 1 288.435 3.610 20 0 CHADMN Cc1c([C@H](C)NCC(C)(C)F)cnn1-c1ccccc1 ZINC000866408257 1124064609 /nfs/dbraw/zinc/06/46/09/1124064609.db2.gz IPMYYPWAIBWXOI-LBPRGKRZSA-N 0 1 275.371 3.579 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1ccc2cccnc2c1 ZINC000866431339 1124065546 /nfs/dbraw/zinc/06/55/46/1124065546.db2.gz OUHBXULMXSQNFP-LBPRGKRZSA-N 0 1 295.386 3.944 20 0 CHADMN Cc1occc1CN(C)CCOc1cc(C)ccc1C ZINC000195616856 1124066657 /nfs/dbraw/zinc/06/66/57/1124066657.db2.gz LKTXCYQXVQTJKX-UHFFFAOYSA-N 0 1 273.376 3.716 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)[nH]n2)o1 ZINC000195601949 1124066796 /nfs/dbraw/zinc/06/67/96/1124066796.db2.gz YRLBDLMRDAPHJB-UHFFFAOYSA-N 0 1 295.342 3.847 20 0 CHADMN Fc1cncc([C@@H](N[C@H]2CCCC[C@H]2F)C2CC2)c1 ZINC000866451896 1124067948 /nfs/dbraw/zinc/06/79/48/1124067948.db2.gz QNZRJAFFWKJVOR-ILXRZTDVSA-N 0 1 266.335 3.542 20 0 CHADMN Cc1ccc2oc(N(C)Cc3cc(C(C)(C)C)[nH]n3)nc2c1 ZINC000444870362 1124069484 /nfs/dbraw/zinc/06/94/84/1124069484.db2.gz JSMXIKOWZBDIPC-UHFFFAOYSA-N 0 1 298.390 3.793 20 0 CHADMN Fc1cc(N[C@H]2CCCc3[nH]ncc32)cc(OC(F)F)c1 ZINC000866497638 1124072380 /nfs/dbraw/zinc/07/23/80/1124072380.db2.gz OCEQEYDHBMUFMJ-LBPRGKRZSA-N 0 1 297.280 3.640 20 0 CHADMN CC[C@H](NCC(CC)(CC)C(F)(F)F)c1nccn1C ZINC000866505423 1124073667 /nfs/dbraw/zinc/07/36/67/1124073667.db2.gz LGYIVHKHVAXPIO-NSHDSACASA-N 0 1 291.361 3.830 20 0 CHADMN Fc1ccc(/C=C/C[N@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000428395417 1124077532 /nfs/dbraw/zinc/07/75/32/1124077532.db2.gz BLBXGYYCEUTKGG-FVIAUOKHSA-N 0 1 289.394 3.730 20 0 CHADMN Fc1ccc([C@H](NCCCCC2CC2)c2ncc[nH]2)cc1 ZINC000866541539 1124080343 /nfs/dbraw/zinc/08/03/43/1124080343.db2.gz OBCGLNFQNHXYQS-INIZCTEOSA-N 0 1 287.382 3.808 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@](C)(O)C1 ZINC000445381522 1124082440 /nfs/dbraw/zinc/08/24/40/1124082440.db2.gz YDNCCPAFCROIPF-KBPBESRZSA-N 0 1 288.218 3.901 20 0 CHADMN CCSc1ccccc1[C@@H](C)N[C@H](C)c1ccnn1C ZINC000866612007 1124088127 /nfs/dbraw/zinc/08/81/27/1124088127.db2.gz AATTXMOOBASEEU-CHWSQXEVSA-N 0 1 289.448 3.944 20 0 CHADMN C[C@@H](N[C@H](C)c1cncs1)c1cc2cnccc2o1 ZINC000866619076 1124090389 /nfs/dbraw/zinc/09/03/89/1124090389.db2.gz CSQYDHHJILBSDK-NXEZZACHSA-N 0 1 273.361 3.696 20 0 CHADMN CCc1nc(C)c([C@@H](C)N[C@@H]2C[C@H]2C(F)(F)F)s1 ZINC000631755013 1124095040 /nfs/dbraw/zinc/09/50/40/1124095040.db2.gz WMCHYAUSKPXDNZ-FTLITQJKSA-N 0 1 278.343 3.615 20 0 CHADMN CCCc1ccc(CNCc2ccc(F)cn2)s1 ZINC000621341465 1129166223 /nfs/dbraw/zinc/16/62/23/1129166223.db2.gz PDDHRMUNJUVXTJ-UHFFFAOYSA-N 0 1 264.369 3.525 20 0 CHADMN Cc1oncc1CN(C)[C@H](C)c1cc(C)ccc1C ZINC000445799070 1124103140 /nfs/dbraw/zinc/10/31/40/1124103140.db2.gz LUVGFXZFDXLVLU-CYBMUJFWSA-N 0 1 258.365 3.793 20 0 CHADMN Cc1nc(CN[C@H](CC(F)(F)F)C(C)C)sc1C ZINC000445896541 1124106453 /nfs/dbraw/zinc/10/64/53/1124106453.db2.gz JAGWRFKICSCSCW-SNVBAGLBSA-N 0 1 280.359 3.827 20 0 CHADMN Clc1ccc(CCCN2CCc3ncsc3C2)cc1 ZINC000446071613 1124109421 /nfs/dbraw/zinc/10/94/21/1124109421.db2.gz MZUMTPSNPFAJKV-UHFFFAOYSA-N 0 1 292.835 3.787 20 0 CHADMN COc1cccc(CNCc2coc3ccccc23)c1OC ZINC000114508986 1124110034 /nfs/dbraw/zinc/11/00/34/1124110034.db2.gz VLUUHXABYBWHIS-UHFFFAOYSA-N 0 1 297.354 3.740 20 0 CHADMN C[C@H]1CN(Cc2ccccc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000525123819 1124115762 /nfs/dbraw/zinc/11/57/62/1124115762.db2.gz BWNMKJLQTSRLCM-KSSFIOAISA-N 0 1 285.362 3.788 20 0 CHADMN Cc1ccc(CN2CCO[C@@H](c3ccccc3C)C2)cc1 ZINC000525126373 1124116308 /nfs/dbraw/zinc/11/63/08/1124116308.db2.gz UJAMJTYACCOYIG-LJQANCHMSA-N 0 1 281.399 3.877 20 0 CHADMN CCC1(CC)CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000446658119 1124117383 /nfs/dbraw/zinc/11/73/83/1124117383.db2.gz KHUYKHWWPOHLDJ-UHFFFAOYSA-N 0 1 297.402 3.729 20 0 CHADMN CC(C)OC(=O)CCN1CCC[C@@H]1c1ccccc1Cl ZINC000525270485 1124119079 /nfs/dbraw/zinc/11/90/79/1124119079.db2.gz QOVVQVHCEQCNFR-OAHLLOKOSA-N 0 1 295.810 3.819 20 0 CHADMN Cc1cc(CN2CCC(OCC3CCCCC3)CC2)on1 ZINC000525272644 1124119082 /nfs/dbraw/zinc/11/90/82/1124119082.db2.gz ISLMEANMDGZBJY-UHFFFAOYSA-N 0 1 292.423 3.544 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1CC[C@H](C(C)C)C1 ZINC000446715750 1124119933 /nfs/dbraw/zinc/11/99/33/1124119933.db2.gz FDRUDLWCLVYHQC-ZDUSSCGKSA-N 0 1 294.826 3.565 20 0 CHADMN CCC1(CC)CCN(Cc2nc(-c3ccsc3)no2)C1 ZINC000446733817 1124120047 /nfs/dbraw/zinc/12/00/47/1124120047.db2.gz AJTOCGFOXJVRAM-UHFFFAOYSA-N 0 1 291.420 3.810 20 0 CHADMN CC(C)[C@H]1CCN(Cc2ncc(-c3cccs3)o2)C1 ZINC000446729148 1124120216 /nfs/dbraw/zinc/12/02/16/1124120216.db2.gz ODJVQQOYFRUNSG-LBPRGKRZSA-N 0 1 276.405 3.881 20 0 CHADMN CCC1(CC)CCN(Cc2nc(Cc3ccccc3)no2)C1 ZINC000446724620 1124120598 /nfs/dbraw/zinc/12/05/98/1124120598.db2.gz DZGJRHQPJGEIEE-UHFFFAOYSA-N 0 1 299.418 3.673 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H](c1cccs1)C1CC1 ZINC000446747414 1124120894 /nfs/dbraw/zinc/12/08/94/1124120894.db2.gz DGGPZNZSVCYZDU-XHDPSFHLSA-N 0 1 273.405 3.648 20 0 CHADMN C[C@H](NCCCc1c(F)cccc1Cl)c1ccon1 ZINC000446763028 1124122437 /nfs/dbraw/zinc/12/24/37/1124122437.db2.gz SVIDMGHAMTZLSV-JTQLQIEISA-N 0 1 282.746 3.751 20 0 CHADMN CC(C)C[C@H]1CCCCCN1C(=O)c1[nH]nc2ccccc21 ZINC000525362310 1124124511 /nfs/dbraw/zinc/12/45/11/1124124511.db2.gz LJVYUGUDLCIGDJ-CQSZACIVSA-N 0 1 299.418 3.994 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2csc(Cc3ccccc3)n2)C1 ZINC000525407673 1124127053 /nfs/dbraw/zinc/12/70/53/1124127053.db2.gz DYQOXSAHJANAFI-KGLIPLIRSA-N 0 1 286.444 3.964 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000525407768 1124127104 /nfs/dbraw/zinc/12/71/04/1124127104.db2.gz ISDGKEWQZGMKTJ-WDEREUQCSA-N 0 1 291.782 3.620 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2cc(F)ccc2Br)C1 ZINC000525411525 1124127398 /nfs/dbraw/zinc/12/73/98/1124127398.db2.gz UFJRRYGENJCQID-ZJUUUORDSA-N 0 1 286.188 3.819 20 0 CHADMN CCOc1cncc(CNc2nccc(C)c2C2CC2)c1 ZINC000621370760 1129167675 /nfs/dbraw/zinc/16/76/75/1129167675.db2.gz QHSQGEQOKYLWJM-UHFFFAOYSA-N 0 1 283.375 3.673 20 0 CHADMN CC(C)(CNCc1ccon1)c1cccc(C(F)(F)F)c1 ZINC000634958510 1129167685 /nfs/dbraw/zinc/16/76/85/1129167685.db2.gz RWRKCGXUPKXCMN-UHFFFAOYSA-N 0 1 298.308 3.761 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2n[nH]c(C(C)C)n2)cc1C ZINC000428459723 1124129397 /nfs/dbraw/zinc/12/93/97/1124129397.db2.gz MGVLHLPVRNWKLY-INIZCTEOSA-N 0 1 298.434 3.882 20 0 CHADMN CCOc1cncc(CN[C@H](CC)c2ccccc2F)c1 ZINC000621369562 1129167798 /nfs/dbraw/zinc/16/77/98/1129167798.db2.gz QMSZGMMZAHCENH-QGZVFWFLSA-N 0 1 288.366 3.860 20 0 CHADMN CC(C)[N@@H+](CC(=O)[O-])Cc1cccc(-c2ccccc2)c1 ZINC000414647340 1129169406 /nfs/dbraw/zinc/16/94/06/1129169406.db2.gz BUONUGPDZLIKRL-UHFFFAOYSA-N 0 1 283.371 3.649 20 0 CHADMN Cc1ccccc1OCCN(C)Cc1cccc(Cl)n1 ZINC000075586793 1129171378 /nfs/dbraw/zinc/17/13/78/1129171378.db2.gz GWFOXBJORWPUOS-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)c1cn[nH]c1C1CC1 ZINC000184177267 1129175492 /nfs/dbraw/zinc/17/54/92/1129175492.db2.gz DQMMLHXYEGSABM-UHFFFAOYSA-N 0 1 275.739 3.501 20 0 CHADMN CCCC[C@@H](CC)CC[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000414686144 1129176046 /nfs/dbraw/zinc/17/60/46/1129176046.db2.gz UTKPDBHPFQKSTQ-ZIAGYGMSSA-N 0 1 255.402 3.532 20 0 CHADMN COC1(C)CCN(Cc2cc(F)cc(C)c2Cl)CC1 ZINC001238777275 1131244354 /nfs/dbraw/zinc/24/43/54/1131244354.db2.gz MWJIXCKOCGVIMB-UHFFFAOYSA-N 0 1 285.790 3.788 20 0 CHADMN CCCc1cc(=O)n(Cc2ccc(C(F)(F)F)cc2)[nH]1 ZINC001245924922 1131247639 /nfs/dbraw/zinc/24/76/39/1131247639.db2.gz MWAGQTGVDIDAMZ-UHFFFAOYSA-N 0 1 284.281 3.608 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN(C)CCc1cccnc1 ZINC001238783810 1131248204 /nfs/dbraw/zinc/24/82/04/1131248204.db2.gz BQYOAGXSCRBQJI-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CCC[C@H](CF)C1 ZINC001238786141 1131248377 /nfs/dbraw/zinc/24/83/77/1131248377.db2.gz YGYLMSMEVNHDRW-LLVKDONJSA-N 0 1 273.754 3.969 20 0 CHADMN Cc1coc(CNCc2cccc(C(F)F)c2)c1 ZINC001119504406 1131256457 /nfs/dbraw/zinc/25/64/57/1131256457.db2.gz GLOVCIBFTBRHGX-UHFFFAOYSA-N 0 1 251.276 3.815 20 0 CHADMN Cc1cn[nH]c1CSCC1CCC(F)(F)CC1 ZINC001119603047 1131258668 /nfs/dbraw/zinc/25/86/68/1131258668.db2.gz FBZGCUNGNNZKJV-UHFFFAOYSA-N 0 1 260.353 3.777 20 0 CHADMN C[C@@H]1CCC[C@H](C)CN1Cc1noc(-c2ccccc2)n1 ZINC000525640925 1124453461 /nfs/dbraw/zinc/45/34/61/1124453461.db2.gz JSRJYNOHPCEDPW-UONOGXRCSA-N 0 1 285.391 3.747 20 0 CHADMN CC[C@@]1(C)CN(C[C@@H](OC(C)C)c2ccccc2)CCO1 ZINC000428477764 1124459947 /nfs/dbraw/zinc/45/99/47/1124459947.db2.gz FCKAODZERSZVQY-MSOLQXFVSA-N 0 1 291.435 3.654 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](n3cccn3)C2)c(Cl)c1 ZINC000447349716 1124466430 /nfs/dbraw/zinc/46/64/30/1124466430.db2.gz GPASJFQJDVJLGE-OAHLLOKOSA-N 0 1 289.810 3.682 20 0 CHADMN CCCc1nc(CN2CCC[C@]2(CCC)COC)cs1 ZINC000447401170 1124471621 /nfs/dbraw/zinc/47/16/21/1124471621.db2.gz VVWXJVVJHCACRO-MRXNPFEDSA-N 0 1 296.480 3.877 20 0 CHADMN Cc1noc([C@H](C)N[C@H](C)[C@H](C)C2CCCCC2)n1 ZINC000525995657 1124488756 /nfs/dbraw/zinc/48/87/56/1124488756.db2.gz DSIUUBMLQWYDBU-TUAOUCFPSA-N 0 1 265.401 3.634 20 0 CHADMN CSc1cc(CN[C@@H](C)c2cc(C)oc2C)ccn1 ZINC000447583813 1124492034 /nfs/dbraw/zinc/49/20/34/1124492034.db2.gz COAOMYCQJQIARA-NSHDSACASA-N 0 1 276.405 3.864 20 0 CHADMN CC(C)O[C@H](CN1C[C@H](C)O[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000428491092 1124500422 /nfs/dbraw/zinc/50/04/22/1124500422.db2.gz SGDLGWNJWCZAMO-NBOOPKSLSA-N 0 1 291.435 3.650 20 0 CHADMN CC(C)CN(Cc1ccn(-c2ccccc2F)n1)C1CC1 ZINC000526083775 1124505474 /nfs/dbraw/zinc/50/54/74/1124505474.db2.gz ZOUWSKSGTHKTNM-UHFFFAOYSA-N 0 1 287.382 3.632 20 0 CHADMN CSCC[C@H](C)N(C)Cc1cnc(C(F)(F)F)s1 ZINC000447728128 1124510741 /nfs/dbraw/zinc/51/07/41/1124510741.db2.gz CWONLWNLAPYPII-QMMMGPOBSA-N 0 1 298.399 3.735 20 0 CHADMN C[C@@H](CCN1CCOCC12CCCC2)c1ccccc1 ZINC000447727606 1124510972 /nfs/dbraw/zinc/51/09/72/1124510972.db2.gz CBBFSSNPQKEPAO-INIZCTEOSA-N 0 1 273.420 3.825 20 0 CHADMN C[C@@H](N(C)Cc1cnc(C(F)(F)F)s1)C1(C)CC1 ZINC000447730972 1124513394 /nfs/dbraw/zinc/51/33/94/1124513394.db2.gz RMLAOZAAPVQQQZ-MRVPVSSYSA-N 0 1 278.343 3.782 20 0 CHADMN Cc1cc(OCc2ccn(-c3ccccc3F)n2)cc(C)n1 ZINC000526120109 1124514726 /nfs/dbraw/zinc/51/47/26/1124514726.db2.gz JAYQMLXVAQQJIL-UHFFFAOYSA-N 0 1 297.333 3.602 20 0 CHADMN C[C@H]1CN(CCCc2c(F)cccc2Cl)CCCO1 ZINC000447742675 1124521474 /nfs/dbraw/zinc/52/14/74/1124521474.db2.gz QQESEFVGVZALIU-LBPRGKRZSA-N 0 1 285.790 3.523 20 0 CHADMN FC1(F)CCC[C@@H](NCc2nc(-c3ccccc3)c[nH]2)C1 ZINC000447813636 1124532302 /nfs/dbraw/zinc/53/23/02/1124532302.db2.gz SVNAAEVAJAUWKF-CYBMUJFWSA-N 0 1 291.345 3.744 20 0 CHADMN CCc1cc(CNc2nc3cccc(C)c3s2)n[nH]1 ZINC000795095053 1124535201 /nfs/dbraw/zinc/53/52/01/1124535201.db2.gz JHVVFZOJPHTEBA-UHFFFAOYSA-N 0 1 272.377 3.502 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1ccccc1COC(C)C ZINC000527099440 1124550841 /nfs/dbraw/zinc/55/08/41/1124550841.db2.gz NEQZHXOPPOOLAX-HNNXBMFYSA-N 0 1 299.418 3.561 20 0 CHADMN CCS[C@@H]1CCC[C@H](NCc2nnc(C3CC3)s2)C1 ZINC001119955058 1131268379 /nfs/dbraw/zinc/26/83/79/1131268379.db2.gz YWHHRPOHCHAEKL-NWDGAFQWSA-N 0 1 297.493 3.569 20 0 CHADMN CC1(C)[C@H](NCc2cscn2)C[C@H]1c1ccccc1 ZINC000123093270 1124562201 /nfs/dbraw/zinc/56/22/01/1124562201.db2.gz OMDGTRZAJCYENU-LSDHHAIUSA-N 0 1 272.417 3.815 20 0 CHADMN CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1F ZINC000527298534 1124567684 /nfs/dbraw/zinc/56/76/84/1124567684.db2.gz WFLNZAIEQJMRRY-CABCVRRESA-N 0 1 285.790 3.605 20 0 CHADMN CC[C@H](O)[C@H]1CCCCN1Cc1cc(Cl)ccc1F ZINC000527298534 1124567693 /nfs/dbraw/zinc/56/76/93/1124567693.db2.gz WFLNZAIEQJMRRY-CABCVRRESA-N 0 1 285.790 3.605 20 0 CHADMN Fc1ccc([C@@H](NCC2CCCCC2)c2ncc[nH]2)cc1 ZINC000527348825 1124569489 /nfs/dbraw/zinc/56/94/89/1124569489.db2.gz JWEWJRQZDQOSHV-MRXNPFEDSA-N 0 1 287.382 3.808 20 0 CHADMN CC(C)n1ccc(CN2CC[C@@H](CC(C)(C)C)C2)n1 ZINC000448554993 1124585575 /nfs/dbraw/zinc/58/55/75/1124585575.db2.gz PAAPAGALZKPADF-AWEZNQCLSA-N 0 1 263.429 3.722 20 0 CHADMN CC(C)(C)Oc1cccc(NC(=O)c2cn[nH]c2C2CC2)c1 ZINC000888558153 1124602218 /nfs/dbraw/zinc/60/22/18/1124602218.db2.gz PQGSVSOQDFDMHW-UHFFFAOYSA-N 0 1 299.374 3.717 20 0 CHADMN C[C@H](O)C[C@H]1CCCCN1Cc1ccc(F)cc1Cl ZINC000123703190 1124619738 /nfs/dbraw/zinc/61/97/38/1124619738.db2.gz KHFWCDFGXWWOPO-SMDDNHRTSA-N 0 1 285.790 3.605 20 0 CHADMN CC[C@H](C[N@H+]1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000871620631 1124620487 /nfs/dbraw/zinc/62/04/87/1124620487.db2.gz HFMQERQUWQKQTP-HZPDHXFCSA-N 0 1 289.419 3.757 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2ccncc2F)c1 ZINC000449009425 1124632478 /nfs/dbraw/zinc/63/24/78/1124632478.db2.gz IEZQTHVYMUQCFG-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1cc(C)c(O)c(C)c1)C2 ZINC000582268651 1124633078 /nfs/dbraw/zinc/63/30/78/1124633078.db2.gz XYUSIFRUMUCNBM-UHFFFAOYSA-N 0 1 267.372 3.833 20 0 CHADMN CSCC[N@@H+](C)Cc1cnc(-c2ccccc2F)s1 ZINC000449030753 1124635667 /nfs/dbraw/zinc/63/56/67/1124635667.db2.gz SPRJMNJYRXAZAS-UHFFFAOYSA-N 0 1 296.436 3.744 20 0 CHADMN CSCCN(C)Cc1cnc(-c2ccccc2F)s1 ZINC000449030753 1124635672 /nfs/dbraw/zinc/63/56/72/1124635672.db2.gz SPRJMNJYRXAZAS-UHFFFAOYSA-N 0 1 296.436 3.744 20 0 CHADMN C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccncc1F ZINC000449030916 1124636322 /nfs/dbraw/zinc/63/63/22/1124636322.db2.gz STCYONXSMONZFW-SWLSCSKDSA-N 0 1 288.341 3.738 20 0 CHADMN Cc1ccc(CNCc2ccnn2C2CCCC2)cc1 ZINC000449060000 1124640599 /nfs/dbraw/zinc/64/05/99/1124640599.db2.gz BZONKMXPPGFSEJ-UHFFFAOYSA-N 0 1 269.392 3.596 20 0 CHADMN C[C@H](NCc1ccnn1C1CCCC1)c1cccs1 ZINC000449063157 1124640631 /nfs/dbraw/zinc/64/06/31/1124640631.db2.gz LKIWQJLACWSZHQ-LBPRGKRZSA-N 0 1 275.421 3.911 20 0 CHADMN Cc1cnc(CN[C@@H](C)COc2c(C)cccc2C)s1 ZINC000449098706 1124646550 /nfs/dbraw/zinc/64/65/50/1124646550.db2.gz QREWLNMDNUCEHU-ZDUSSCGKSA-N 0 1 290.432 3.625 20 0 CHADMN COc1cc(CNCc2ccnn2C2CCCC2)ccc1C ZINC000449101897 1124647603 /nfs/dbraw/zinc/64/76/03/1124647603.db2.gz VXQHQMFBNMTMSD-UHFFFAOYSA-N 0 1 299.418 3.605 20 0 CHADMN Fc1cccc([C@H]2CCN(Cc3ncccc3Cl)C2)c1 ZINC000528370895 1124649917 /nfs/dbraw/zinc/64/99/17/1124649917.db2.gz FZQOVDZROCQFGG-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1ccoc1C[NH2+][C@@H](CC(=O)[O-])c1ccccc1Cl ZINC000871883327 1124651415 /nfs/dbraw/zinc/65/14/15/1124651415.db2.gz JWSNXRDNOQOHFO-ZDUSSCGKSA-N 0 1 293.750 3.547 20 0 CHADMN C[C@H](NCc1ccnn1C1CCCC1)c1cccc(O)c1 ZINC000449129035 1124652680 /nfs/dbraw/zinc/65/26/80/1124652680.db2.gz BAFWDGBQDGYBPG-ZDUSSCGKSA-N 0 1 285.391 3.555 20 0 CHADMN CC1(C)CC[C@@H]2C(=O)N(c3cccc4ncccc43)N=C2C1 ZINC000871945558 1124654519 /nfs/dbraw/zinc/65/45/19/1124654519.db2.gz RJHKOPAKGKKTDG-ZDUSSCGKSA-N 0 1 293.370 3.764 20 0 CHADMN CC1(C)CCc2c([nH]n(-c3cccc4ncccc43)c2=O)C1 ZINC000871945558 1124654521 /nfs/dbraw/zinc/65/45/21/1124654521.db2.gz RJHKOPAKGKKTDG-ZDUSSCGKSA-N 0 1 293.370 3.764 20 0 CHADMN CC(C)[C@@H]1CCC2=NN(c3cccc(Cl)n3)C(=O)[C@@H]2C1 ZINC000871950477 1124654715 /nfs/dbraw/zinc/65/47/15/1124654715.db2.gz GGXOHGRXKLYTJA-GHMZBOCLSA-N 0 1 291.782 3.510 20 0 CHADMN CC[C@H](C)[C@@H](O)CNCc1cc(Cl)sc1Cl ZINC000449149940 1124657013 /nfs/dbraw/zinc/65/70/13/1124657013.db2.gz YBWPLJKRWKIMNN-CBAPKCEASA-N 0 1 282.236 3.552 20 0 CHADMN Clc1ccc([C@@H]2CC[C@H](NCc3cocn3)C2)cc1 ZINC000449159333 1124657530 /nfs/dbraw/zinc/65/75/30/1124657530.db2.gz ZISCDYXOXNRCHU-OCCSQVGLSA-N 0 1 276.767 3.754 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1cc(O)ccc1F)c1ccccc1 ZINC000872024105 1124659416 /nfs/dbraw/zinc/65/94/16/1124659416.db2.gz NENYFMXUDUVAPR-SJCJKPOMSA-N 0 1 289.350 3.570 20 0 CHADMN COc1ccc([C@@H](C)NC/C=C(/C)Cl)cc1F ZINC000528428829 1124659515 /nfs/dbraw/zinc/65/95/15/1124659515.db2.gz BOEXZJFFGNEMSB-ABRRARGCSA-N 0 1 257.736 3.628 20 0 CHADMN C[C@@H](NCCOC1CCCCC1)c1cccc(O)c1F ZINC000872028023 1124660089 /nfs/dbraw/zinc/66/00/89/1124660089.db2.gz HLPWXQBRICPDGT-GFCCVEGCSA-N 0 1 281.371 3.531 20 0 CHADMN C[C@@H]1CCN(Cc2cccnc2C(F)(F)F)C[C@H]1C ZINC000528434720 1124665248 /nfs/dbraw/zinc/66/52/48/1124665248.db2.gz XOSWHAXECHHHPD-GHMZBOCLSA-N 0 1 272.314 3.578 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc(O)ccc2F)c(C)c1 ZINC000872049092 1124665842 /nfs/dbraw/zinc/66/58/42/1124665842.db2.gz PVQHCDMJTVFCNX-LBPRGKRZSA-N 0 1 289.350 3.699 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](c1cccnc1)C1CC1 ZINC000449203864 1124668590 /nfs/dbraw/zinc/66/85/90/1124668590.db2.gz IFSIYNARMXWJAJ-GOSISDBHSA-N 0 1 282.387 3.640 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1cc(O)ccc1F ZINC000872063786 1124671174 /nfs/dbraw/zinc/67/11/74/1124671174.db2.gz ZWJQKXBGEAHXKX-IUCAKERBSA-N 0 1 279.277 3.913 20 0 CHADMN COc1cc(C)cc(CNCc2cccc(C)c2F)c1 ZINC000449198965 1124672060 /nfs/dbraw/zinc/67/20/60/1124672060.db2.gz DQHLXDPXQIYRML-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN Cc1ccc(C(C)(C)NCc2cccc(C)c2F)cn1 ZINC000449243923 1124679207 /nfs/dbraw/zinc/67/92/07/1124679207.db2.gz OFVAAAHHIMBCBZ-UHFFFAOYSA-N 0 1 272.367 3.862 20 0 CHADMN C/C(Cl)=C/CN1CCC[C@H](CC(F)(F)F)C1 ZINC000528523475 1124683305 /nfs/dbraw/zinc/68/33/05/1124683305.db2.gz AOAPKEXMQISQEU-ZUYFITGHSA-N 0 1 255.711 3.793 20 0 CHADMN CCn1nnc(C)c1CN[C@@H]1CCc2ccc(C(C)C)cc21 ZINC000449260986 1124684706 /nfs/dbraw/zinc/68/47/06/1124684706.db2.gz YQJDEBWNLOPLPD-QGZVFWFLSA-N 0 1 298.434 3.507 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1ccc(C(C)(C)C)s1 ZINC000872106747 1124684803 /nfs/dbraw/zinc/68/48/03/1124684803.db2.gz LBHBXDFZYVYMPO-LBPRGKRZSA-N 0 1 289.448 3.995 20 0 CHADMN Fc1ccc([C@H](NCCC[C@H]2C=CCC2)c2ncc[nH]2)cc1 ZINC000872107570 1124684936 /nfs/dbraw/zinc/68/49/36/1124684936.db2.gz MUYVDAGVAKRZPR-YOEHRIQHSA-N 0 1 299.393 3.974 20 0 CHADMN Cc1ncncc1[C@H](C)NCc1ccc(C(C)(C)C)s1 ZINC000872107334 1124685089 /nfs/dbraw/zinc/68/50/89/1124685089.db2.gz PMTLEFSDHREDIK-NSHDSACASA-N 0 1 289.448 3.995 20 0 CHADMN CC1=C(C)CN(Cc2ccnn2C2CCCC2)CC1 ZINC000449297342 1124685828 /nfs/dbraw/zinc/68/58/28/1124685828.db2.gz CKFJBCHTFDFYQJ-UHFFFAOYSA-N 0 1 259.397 3.540 20 0 CHADMN CCn1nnc(C)c1CN[C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000449292416 1124688755 /nfs/dbraw/zinc/68/87/55/1124688755.db2.gz DCPKISONTVJJRG-IAGOWNOFSA-N 0 1 298.434 3.581 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000872131033 1124691606 /nfs/dbraw/zinc/69/16/06/1124691606.db2.gz VJORYGZPYUYGLM-RKDXNWHRSA-N 0 1 298.312 3.544 20 0 CHADMN COc1cc(F)cc(CN2CCC=C(c3ccncc3)C2)c1 ZINC000449321924 1124693293 /nfs/dbraw/zinc/69/32/93/1124693293.db2.gz VHDKKJDYZQNWTB-UHFFFAOYSA-N 0 1 298.361 3.519 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nccnc1C)c1cccc(C)c1 ZINC000872134617 1124693364 /nfs/dbraw/zinc/69/33/64/1124693364.db2.gz SQGLBIQTHBDTNY-GOEBONIOSA-N 0 1 269.392 3.895 20 0 CHADMN COc1cc2ccccc2cc1CN1CCC[C@H]1CF ZINC000449345851 1124695936 /nfs/dbraw/zinc/69/59/36/1124695936.db2.gz XDDDXTPMPJNRRF-INIZCTEOSA-N 0 1 273.351 3.782 20 0 CHADMN COc1cc(CN2CCC[C@H]2CF)cc2ccccc21 ZINC000449345502 1124696079 /nfs/dbraw/zinc/69/60/79/1124696079.db2.gz WDVSLYUWKNFUER-HNNXBMFYSA-N 0 1 273.351 3.782 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000872159550 1124696796 /nfs/dbraw/zinc/69/67/96/1124696796.db2.gz WDAZLIZRDNFABZ-FZMZJTMJSA-N 0 1 281.421 3.847 20 0 CHADMN C[C@H](C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1)CC(C)(C)C ZINC000872159481 1124696849 /nfs/dbraw/zinc/69/68/49/1124696849.db2.gz IGDFFHGMXBNLNR-XJKSGUPXSA-N 0 1 289.419 3.743 20 0 CHADMN Cc1ccc(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC000872159135 1124697186 /nfs/dbraw/zinc/69/71/86/1124697186.db2.gz OKMAZNAKTSZDGR-KMFMINBZSA-N 0 1 287.403 3.846 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H](C)CCc2ccc(F)cc2)n1 ZINC000872171340 1124698190 /nfs/dbraw/zinc/69/81/90/1124698190.db2.gz RUPXNGIOHPGPIN-FZMZJTMJSA-N 0 1 291.370 3.601 20 0 CHADMN Fc1cccc2c(CN3CC[C@@H](C(F)(F)F)C3)c[nH]c21 ZINC001137057708 1124698216 /nfs/dbraw/zinc/69/82/16/1124698216.db2.gz NCYHWQXQJATHOD-SNVBAGLBSA-N 0 1 286.272 3.691 20 0 CHADMN CC(C)[C@H](N)c1noc(C2CC(c3ccc(F)cc3)C2)n1 ZINC000872170038 1124698443 /nfs/dbraw/zinc/69/84/43/1124698443.db2.gz BGICBHMQMXVKSW-YIZWMMSDSA-N 0 1 289.354 3.526 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cnn(CC(C)C)c2)cc1F ZINC000449372641 1124705324 /nfs/dbraw/zinc/70/53/24/1124705324.db2.gz KCQHILSGXMDIAZ-CQSZACIVSA-N 0 1 289.398 3.837 20 0 CHADMN C[C@]1(F)CCCCN(Cc2ccc(N3CCCC3)o2)C1 ZINC001137061178 1124724312 /nfs/dbraw/zinc/72/43/12/1124724312.db2.gz OYUVPHGVTMFEAG-INIZCTEOSA-N 0 1 280.387 3.594 20 0 CHADMN c1nc(C2CCCC2)sc1CN1CC[C@H]1C1CC1 ZINC000449430185 1124735654 /nfs/dbraw/zinc/73/56/54/1124735654.db2.gz XBFVUXMIAGXCKV-AWEZNQCLSA-N 0 1 262.422 3.785 20 0 CHADMN c1nc(C2CCCC2)sc1CN1CC[C@@H]1C1CC1 ZINC000449430188 1124736287 /nfs/dbraw/zinc/73/62/87/1124736287.db2.gz XBFVUXMIAGXCKV-CQSZACIVSA-N 0 1 262.422 3.785 20 0 CHADMN Cc1cc2c(cn1)CN([C@@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170944938 1131280789 /nfs/dbraw/zinc/28/07/89/1131280789.db2.gz UCOFVKAAHVIXJI-MRXNPFEDSA-N 0 1 298.817 3.917 20 0 CHADMN CN(Cc1cc(F)cc(Cl)c1)[C@H](CO)c1ccccc1 ZINC000449450107 1124742026 /nfs/dbraw/zinc/74/20/26/1124742026.db2.gz FOBLQXAFWLTPDS-MRXNPFEDSA-N 0 1 293.769 3.645 20 0 CHADMN Cn1c(Cl)ncc1CNCc1ccc(C(C)(C)C)s1 ZINC000873153897 1124743502 /nfs/dbraw/zinc/74/35/02/1124743502.db2.gz KWFNNDYDBMLZIX-UHFFFAOYSA-N 0 1 297.855 3.722 20 0 CHADMN CCc1ccc(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)cn1 ZINC000449460166 1124746717 /nfs/dbraw/zinc/74/67/17/1124746717.db2.gz MQRSYRGOMBBRNM-DGCLKSJQSA-N 0 1 286.341 3.807 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1cccc(C2CC2)c1 ZINC000873186520 1124747116 /nfs/dbraw/zinc/74/71/16/1124747116.db2.gz PYIXJOOFKKTVBC-ZDUSSCGKSA-N 0 1 267.376 3.513 20 0 CHADMN CC(C)c1ncc(CNCc2ccc(O)c(Cl)c2)s1 ZINC000873178860 1124747295 /nfs/dbraw/zinc/74/72/95/1124747295.db2.gz FCPQTGLDANAAQX-UHFFFAOYSA-N 0 1 296.823 3.915 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1ccc2c(c1)CCCC2 ZINC000873187204 1124748085 /nfs/dbraw/zinc/74/80/85/1124748085.db2.gz NSRREUYOKPARCA-CQSZACIVSA-N 0 1 281.403 3.515 20 0 CHADMN Cc1nccnc1[C@@H](C)NC/C=C/c1ccc(Cl)cc1 ZINC000873186960 1124748112 /nfs/dbraw/zinc/74/81/12/1124748112.db2.gz HIKUNQANUUAABO-AAOUONPWSA-N 0 1 287.794 3.802 20 0 CHADMN CO[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000449492536 1124760997 /nfs/dbraw/zinc/76/09/97/1124760997.db2.gz CCEYSLUDPRAIDK-BXUZGUMPSA-N 0 1 287.325 3.562 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1cc(N)cc(F)c1 ZINC000873287946 1124762853 /nfs/dbraw/zinc/76/28/53/1124762853.db2.gz PGZKEGFOAZYTHD-LBPRGKRZSA-N 0 1 288.366 3.576 20 0 CHADMN CO[C@H]1CCN(Cc2ccc(F)cc2Cl)CC1(C)C ZINC000449494669 1124763729 /nfs/dbraw/zinc/76/37/29/1124763729.db2.gz BCQJPTBKUMIXBL-AWEZNQCLSA-N 0 1 285.790 3.726 20 0 CHADMN CO[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000449495157 1124770066 /nfs/dbraw/zinc/77/00/66/1124770066.db2.gz HLDDPYVKILAUSV-IINYFYTJSA-N 0 1 288.218 3.850 20 0 CHADMN CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C)C[C@@H]1C ZINC000449497919 1124770874 /nfs/dbraw/zinc/77/08/74/1124770874.db2.gz KSFKJMFBYPHJOZ-XJKSGUPXSA-N 0 1 281.827 3.895 20 0 CHADMN COc1cccc(-c2cccc3nc(C)[nH]c32)c1C ZINC001238982946 1131285541 /nfs/dbraw/zinc/28/55/41/1131285541.db2.gz JLDUKPDAEUCRTA-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN COc1cccc(-c2ccc(F)c(CN(C)C)c2)c1C ZINC001238994210 1131287975 /nfs/dbraw/zinc/28/79/75/1131287975.db2.gz RHGMFHRZQUUUBF-UHFFFAOYSA-N 0 1 273.351 3.871 20 0 CHADMN CN(C)C(=O)c1ccc(-c2ccc3nc[nH]c3c2)cc1Cl ZINC001239004991 1131288748 /nfs/dbraw/zinc/28/87/48/1131288748.db2.gz LQFVERIAKSDMPV-UHFFFAOYSA-N 0 1 299.761 3.585 20 0 CHADMN COc1cnc(F)cc1-c1ccc2c(c1)C(C(C)C)=NCC2 ZINC001239039651 1131294029 /nfs/dbraw/zinc/29/40/29/1131294029.db2.gz BGDFCCLKFDCOMA-UHFFFAOYSA-N 0 1 298.361 3.898 20 0 CHADMN CN(C)Cc1ccc(-c2coc3ccccc23)nc1 ZINC001239054724 1131296523 /nfs/dbraw/zinc/29/65/23/1131296523.db2.gz ACDGBFNTUCGVMD-UHFFFAOYSA-N 0 1 252.317 3.556 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1coc2ccccc12 ZINC001239061302 1131297106 /nfs/dbraw/zinc/29/71/06/1131297106.db2.gz NVOATJKFDNOCAE-UHFFFAOYSA-N 0 1 253.236 3.510 20 0 CHADMN CC(C)n1ccc(-c2ccc(F)c(CN(C)C)c2)c1 ZINC001239078973 1131301876 /nfs/dbraw/zinc/30/18/76/1131301876.db2.gz MHZJIZILRFDXJR-UHFFFAOYSA-N 0 1 260.356 3.937 20 0 CHADMN C/C(=C\c1ccccc1)CN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000449575634 1124808997 /nfs/dbraw/zinc/80/89/97/1124808997.db2.gz YMARDXKRKWAPEI-RNTKJRCOSA-N 0 1 267.376 3.582 20 0 CHADMN CC[C@H](NCc1cn2cccnc2n1)c1cc(C)ccc1C ZINC000528801965 1124811300 /nfs/dbraw/zinc/81/13/00/1124811300.db2.gz PGBNNUQCNCVYGH-KRWDZBQOSA-N 0 1 294.402 3.587 20 0 CHADMN Cc1cccc(C)c1OCCN[C@@H](C)c1ncccc1F ZINC000528823297 1124818952 /nfs/dbraw/zinc/81/89/52/1124818952.db2.gz FNXUDYDXVWNCLH-AWEZNQCLSA-N 0 1 288.366 3.567 20 0 CHADMN Cc1cocc1C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000528870528 1124833779 /nfs/dbraw/zinc/83/37/79/1124833779.db2.gz MCRJNQISQKJXQE-UHFFFAOYSA-N 0 1 298.386 3.812 20 0 CHADMN CCn1cc([C@H](C)NCc2cc(C)cc(Cl)c2)cn1 ZINC000449677071 1124836937 /nfs/dbraw/zinc/83/69/37/1124836937.db2.gz LKFPZXWZEMRAJZ-LBPRGKRZSA-N 0 1 277.799 3.716 20 0 CHADMN CC1CC(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)C1 ZINC001168112268 1124840307 /nfs/dbraw/zinc/84/03/07/1124840307.db2.gz IBTDCIZJZSVWGH-PQNSMMMDSA-N 0 1 265.422 3.556 20 0 CHADMN O=C(Nc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CCC(F)(F)C1 ZINC000874691040 1124853142 /nfs/dbraw/zinc/85/31/42/1124853142.db2.gz QGTPJDMRBGFMBG-SSDOTTSWSA-N 0 1 299.708 3.590 20 0 CHADMN Fc1ccc(CN2CCC[C@@]3(CCSC3)C2)c(F)c1 ZINC000449737190 1124856401 /nfs/dbraw/zinc/85/64/01/1124856401.db2.gz YJMMVGBKMICJFP-OAHLLOKOSA-N 0 1 283.387 3.684 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C[C@@H](C)c3ccco3)ccc12 ZINC000528949639 1124857573 /nfs/dbraw/zinc/85/75/73/1124857573.db2.gz VNTBMTYQEFELGA-SNVBAGLBSA-N 0 1 283.331 3.597 20 0 CHADMN Cc1ccoc1CN[C@@H](c1cccs1)C1(CO)CCC1 ZINC000449768765 1124864875 /nfs/dbraw/zinc/86/48/75/1124864875.db2.gz TVACTYNVGRWFSE-HNNXBMFYSA-N 0 1 291.416 3.643 20 0 CHADMN COC[C@@H]1CCCN(Cc2cccc(Cl)c2F)CC1 ZINC000449774216 1124868520 /nfs/dbraw/zinc/86/85/20/1124868520.db2.gz KAVBLVPWACPOKL-GFCCVEGCSA-N 0 1 285.790 3.728 20 0 CHADMN OCCC[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000449788783 1124873843 /nfs/dbraw/zinc/87/38/43/1124873843.db2.gz FLIQOSIZMWCHCQ-NSHDSACASA-N 0 1 288.218 3.588 20 0 CHADMN Cc1cc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)ccc1Br ZINC001137616537 1124876421 /nfs/dbraw/zinc/87/64/21/1124876421.db2.gz OELJVFVUCGBHFB-OBJOEFQTSA-N 0 1 298.199 3.690 20 0 CHADMN CN(Cc1ccccc1F)Cc1ccccc1-n1cccn1 ZINC001137098415 1124914528 /nfs/dbraw/zinc/91/45/28/1124914528.db2.gz ZSHKZGTWLFJMAU-UHFFFAOYSA-N 0 1 295.361 3.643 20 0 CHADMN CC(=O)[C@H](N[C@H]1CCc2cccc(F)c2C1)c1ccccc1 ZINC001170958345 1131318482 /nfs/dbraw/zinc/31/84/82/1131318482.db2.gz VGXFYLJVKMLZGW-LPHOPBHVSA-N 0 1 297.373 3.603 20 0 CHADMN c1ccc(CN2CCC(c3nc4ccccc4o3)CC2)nc1 ZINC000120343810 1124924863 /nfs/dbraw/zinc/92/48/63/1124924863.db2.gz JZEAFMFGEQVUSV-UHFFFAOYSA-N 0 1 293.370 3.602 20 0 CHADMN CC(=O)c1ccc(CN(C)Cc2ccccc2C)cc1 ZINC000450218260 1124948773 /nfs/dbraw/zinc/94/87/73/1124948773.db2.gz UVDSVNSWBHNYJA-UHFFFAOYSA-N 0 1 267.372 3.830 20 0 CHADMN COC(=O)c1ccc(CN2CCCC[C@H]2C)cc1Cl ZINC000450240650 1124955489 /nfs/dbraw/zinc/95/54/89/1124955489.db2.gz DVKVUCQAFZDLQY-LLVKDONJSA-N 0 1 281.783 3.501 20 0 CHADMN CCN(Cc1cccs1)C(=O)c1c(C)n[nH]c1C(C)C ZINC000120616813 1124961799 /nfs/dbraw/zinc/96/17/99/1124961799.db2.gz DXTGHFCFRCCACP-UHFFFAOYSA-N 0 1 291.420 3.565 20 0 CHADMN CCCCC[C@@H](NC(=O)c1oc(CN)cc1C)C(C)(C)C ZINC000876662202 1124967779 /nfs/dbraw/zinc/96/77/79/1124967779.db2.gz MMRYBHQMJYIOCU-CQSZACIVSA-N 0 1 294.439 3.772 20 0 CHADMN Cc1ccnc(CN2CCC[C@@H]2C2CC2)c1Br ZINC000876690110 1124969988 /nfs/dbraw/zinc/96/99/88/1124969988.db2.gz RRIGZWFUANQKAV-CYBMUJFWSA-N 0 1 295.224 3.527 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1ccc(Cl)nn1 ZINC000876745991 1124974684 /nfs/dbraw/zinc/97/46/84/1124974684.db2.gz NWSUSLFDQFEVLS-OCCSQVGLSA-N 0 1 287.794 3.508 20 0 CHADMN CC(C)CN(Cc1nnc(C2CC2)s1)C1CCCC1 ZINC000450313290 1124977705 /nfs/dbraw/zinc/97/77/05/1124977705.db2.gz PVKCCQLVNUQALC-UHFFFAOYSA-N 0 1 279.453 3.816 20 0 CHADMN Cc1cccnc1[C@@H](N[C@H](C)c1cccnc1)C(C)C ZINC000120785947 1124979479 /nfs/dbraw/zinc/97/94/79/1124979479.db2.gz JPNNVFFTDQXRMR-ZBFHGGJFSA-N 0 1 269.392 3.833 20 0 CHADMN C[C@@H](O)CCN(Cc1ccccc1)Cc1ccccc1F ZINC000450316034 1124979543 /nfs/dbraw/zinc/97/95/43/1124979543.db2.gz YHFSGHPEPWHZNA-OAHLLOKOSA-N 0 1 287.378 3.599 20 0 CHADMN CCN(c1ccc(NC2CC(n3cccn3)C2)cc1)C(C)C ZINC000876819823 1124980721 /nfs/dbraw/zinc/98/07/21/1124980721.db2.gz FPIRPZLXFFMKJP-UHFFFAOYSA-N 0 1 298.434 3.933 20 0 CHADMN Cc1ncsc1CN(C)Cc1ccc2cc[nH]c2c1 ZINC000529530476 1124980875 /nfs/dbraw/zinc/98/08/75/1124980875.db2.gz PZMQPUDHTJYXKZ-UHFFFAOYSA-N 0 1 271.389 3.565 20 0 CHADMN CC(C)[C@H](NCc1ccc(Cl)nn1)c1ccccc1 ZINC000876908735 1124989595 /nfs/dbraw/zinc/98/95/95/1124989595.db2.gz REQQLQOVEAEIQT-HNNXBMFYSA-N 0 1 275.783 3.617 20 0 CHADMN C[C@@H](Cc1ccsc1)NCc1nc(Cl)cs1 ZINC000876959225 1124993280 /nfs/dbraw/zinc/99/32/80/1124993280.db2.gz QHAXLTDIUCZODE-QMMMGPOBSA-N 0 1 272.826 3.579 20 0 CHADMN CC[C@@H](CC(F)(F)F)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000450362731 1124993909 /nfs/dbraw/zinc/99/39/09/1124993909.db2.gz SFZWAKLXSTZBKV-LURJTMIESA-N 0 1 299.243 3.573 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1cnn(C)c1)c1ccc(F)cc1F ZINC000120824914 1124994445 /nfs/dbraw/zinc/99/44/45/1124994445.db2.gz YFZUMFVRBVYROP-BDJLRTHQSA-N 0 1 293.361 3.746 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2ccnn2CC)cc1 ZINC000120873952 1124998413 /nfs/dbraw/zinc/99/84/13/1124998413.db2.gz ROFJXNBAGZSTQM-SFHVURJKSA-N 0 1 299.418 3.639 20 0 CHADMN COc1cnc(F)c(CN[C@@H](C)c2cc(C)cc(C)c2)c1 ZINC000877011495 1124998784 /nfs/dbraw/zinc/99/87/84/1124998784.db2.gz DWDLMTFJEJPYJB-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN CCC[C@@H]1CCCN([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000120881530 1124999175 /nfs/dbraw/zinc/99/91/75/1124999175.db2.gz DCJNCTCIHISEQN-NWDGAFQWSA-N 0 1 263.385 3.520 20 0 CHADMN CC(C)c1nnc(CNCCC(C)(C)C2CC2)s1 ZINC000877083914 1125008696 /nfs/dbraw/zinc/00/86/96/1125008696.db2.gz HPGIKPDHOZCEFI-UHFFFAOYSA-N 0 1 267.442 3.577 20 0 CHADMN CCc1ccc(C(C)(C)NCc2ccc(Cl)nn2)cc1 ZINC000877086122 1125009103 /nfs/dbraw/zinc/00/91/03/1125009103.db2.gz ZBIIXKDDCLGCDV-UHFFFAOYSA-N 0 1 289.810 3.717 20 0 CHADMN Clc1cc(CN2CCC[C@H](c3ccccn3)C2)ccn1 ZINC000821332094 1131325016 /nfs/dbraw/zinc/32/50/16/1131325016.db2.gz KNKBITOTWLETAG-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1Cc1nnc(C2CC2)s1 ZINC000450431380 1125023075 /nfs/dbraw/zinc/02/30/75/1125023075.db2.gz YVMJHDXWYKNUGA-DGCLKSJQSA-N 0 1 279.453 3.816 20 0 CHADMN Cc1cccc(F)c1NC(=O)c1ncc2ccccc2c1O ZINC001137875529 1125031473 /nfs/dbraw/zinc/03/14/73/1125031473.db2.gz AAQJMHMNUCIKBW-UHFFFAOYSA-N 0 1 296.301 3.640 20 0 CHADMN CCCN(Cc1nc(C)c(C)o1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000121073942 1125037056 /nfs/dbraw/zinc/03/70/56/1125037056.db2.gz ZZUYZPGQLSWRCQ-CABCVRRESA-N 0 1 294.439 3.707 20 0 CHADMN CC(=O)c1cccc(CN2CC[C@@H]2Cc2ccccc2)c1 ZINC000450479130 1125041319 /nfs/dbraw/zinc/04/13/19/1125041319.db2.gz LPGVBWQKWBELNL-LJQANCHMSA-N 0 1 279.383 3.706 20 0 CHADMN CN(Cc1cc(Cl)cn1C)C[C@H]1CCCCC1(F)F ZINC000450485552 1125044385 /nfs/dbraw/zinc/04/43/85/1125044385.db2.gz PTHONRMMYKYMJO-LLVKDONJSA-N 0 1 290.785 3.936 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1Cc1nnc(C2CC2)s1 ZINC000450495892 1125046927 /nfs/dbraw/zinc/04/69/27/1125046927.db2.gz BVQBTESELHCTFB-WCQYABFASA-N 0 1 279.453 3.816 20 0 CHADMN CC[C@H](C)CN1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000121104171 1125047958 /nfs/dbraw/zinc/04/79/58/1125047958.db2.gz MEHRJWSKAUAMTQ-OBJOEFQTSA-N 0 1 253.411 3.556 20 0 CHADMN FC(F)C1CCN(Cc2ccccc2OC2CC2)CC1 ZINC000450505595 1125048231 /nfs/dbraw/zinc/04/82/31/1125048231.db2.gz ZIJRQNHVTNGESL-UHFFFAOYSA-N 0 1 281.346 3.705 20 0 CHADMN Cn1c(CN2CCC[C@]3(CC3(F)F)C2)cc2ccccc21 ZINC000877614564 1125054054 /nfs/dbraw/zinc/05/40/54/1125054054.db2.gz JMDHAEBHLYNPPD-INIZCTEOSA-N 0 1 290.357 3.800 20 0 CHADMN Clc1ccnc2c1CC[C@H]2N[C@H]1CCCc2[nH]ccc21 ZINC000925229195 1125055081 /nfs/dbraw/zinc/05/50/81/1125055081.db2.gz SSPCJRWNYRCIPH-LSDHHAIUSA-N 0 1 287.794 3.718 20 0 CHADMN CO[C@H](CNCc1noc2ccccc12)C1CCCCC1 ZINC000877621037 1125055301 /nfs/dbraw/zinc/05/53/01/1125055301.db2.gz MOCMIZUACHTHKV-QGZVFWFLSA-N 0 1 288.391 3.513 20 0 CHADMN CCO[P@](C)(=O)CC[C@H](C)NCC(F)(F)C(C)(C)C ZINC000877639810 1125058299 /nfs/dbraw/zinc/05/82/99/1125058299.db2.gz GJTZXQCVTJRZDK-WLRWDXFRSA-N 0 1 299.342 3.980 20 0 CHADMN Cc1cccc([C@H](NCc2ccc(Cl)nn2)C(C)C)c1 ZINC000877657453 1125059486 /nfs/dbraw/zinc/05/94/86/1125059486.db2.gz ZOQPVMTZMVIXDJ-MRXNPFEDSA-N 0 1 289.810 3.925 20 0 CHADMN CC(C)c1nnc(CN2CC[C@@H](C)C[C@H](C)C2)s1 ZINC000450607409 1125070089 /nfs/dbraw/zinc/07/00/89/1125070089.db2.gz HHGVMZLSAYHOCL-NEPJUHHUSA-N 0 1 267.442 3.530 20 0 CHADMN Clc1sccc1CN1CC[C@H]2CSC[C@@H]2C1 ZINC000877740539 1125071430 /nfs/dbraw/zinc/07/14/30/1125071430.db2.gz WESFHRDPKBZTSK-QWRGUYRKSA-N 0 1 273.854 3.586 20 0 CHADMN CCC(=O)CCCN1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000450656627 1125080162 /nfs/dbraw/zinc/08/01/62/1125080162.db2.gz VVYGKQDFCMAXBZ-CHWSQXEVSA-N 0 1 277.383 3.893 20 0 CHADMN FC1(F)CC[C@@H](CSc2nc(-c3ccccc3)n[nH]2)C1 ZINC000450681528 1125085130 /nfs/dbraw/zinc/08/51/30/1125085130.db2.gz OEJNSNIVMQHKAM-SNVBAGLBSA-N 0 1 295.358 3.999 20 0 CHADMN Fc1cccc([C@H](NCc2cnns2)C2CCCC2)c1 ZINC000450676988 1125088171 /nfs/dbraw/zinc/08/81/71/1125088171.db2.gz FGECQLLGWHNMIM-OAHLLOKOSA-N 0 1 291.395 3.698 20 0 CHADMN CC(C)c1nnc(CN2C[C@H](C)[C@@H]3CCCC[C@@H]32)s1 ZINC000450721796 1125089786 /nfs/dbraw/zinc/08/97/86/1125089786.db2.gz YAUXWHAVYUFXRU-AVGNSLFASA-N 0 1 279.453 3.672 20 0 CHADMN C[C@@H](N[C@@H](C)c1csnn1)[C@@H](C)C1CCCCC1 ZINC000450730291 1125095541 /nfs/dbraw/zinc/09/55/41/1125095541.db2.gz VZOLNRKRIJLASG-UTUOFQBUSA-N 0 1 267.442 3.794 20 0 CHADMN C[C@H](NCCc1cscn1)c1nc(C(C)(C)C)cs1 ZINC000450726485 1125098630 /nfs/dbraw/zinc/09/86/30/1125098630.db2.gz GJZCIJWLBPWUKK-JTQLQIEISA-N 0 1 295.477 3.790 20 0 CHADMN CCCCN(C)[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000877901411 1125098868 /nfs/dbraw/zinc/09/88/68/1125098868.db2.gz YOGPSCNNPNIYNX-GFCCVEGCSA-N 0 1 282.815 3.707 20 0 CHADMN CCC(=O)CCCN1CCC(c2c(F)cccc2F)CC1 ZINC000450755039 1125102462 /nfs/dbraw/zinc/10/24/62/1125102462.db2.gz DNLGDHWRDOCDSY-UHFFFAOYSA-N 0 1 295.373 3.904 20 0 CHADMN CCC[C@H](CC)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC001136455852 1131332160 /nfs/dbraw/zinc/33/21/60/1131332160.db2.gz PCMYWAFFPVYRLP-GJZGRUSLSA-N 0 1 294.439 3.605 20 0 CHADMN Cn1c2c(nc1[C@H]1CCC[N@H+]1CC1=CCCCC1)CCCC2 ZINC000450789882 1125105492 /nfs/dbraw/zinc/10/54/92/1125105492.db2.gz DHDCOMKDSJWGJS-GOSISDBHSA-N 0 1 299.462 3.936 20 0 CHADMN Cn1c2c(nc1[C@H]1CCCN1CC1=CCCCC1)CCCC2 ZINC000450789882 1125105495 /nfs/dbraw/zinc/10/54/95/1125105495.db2.gz DHDCOMKDSJWGJS-GOSISDBHSA-N 0 1 299.462 3.936 20 0 CHADMN Cc1noc(C)c1CN(C)CCCSC(C)(C)C ZINC000877956764 1125105662 /nfs/dbraw/zinc/10/56/62/1125105662.db2.gz YFDIJTDFMOQUNQ-UHFFFAOYSA-N 0 1 270.442 3.645 20 0 CHADMN CC(C)CCN(Cc1nc2c(o1)CCCC2)C1CC1 ZINC000877966799 1125107511 /nfs/dbraw/zinc/10/75/11/1125107511.db2.gz WKNOTJVSPYWCBM-UHFFFAOYSA-N 0 1 262.397 3.564 20 0 CHADMN CCCN(CC)Cc1coc(-c2ccccc2OC)n1 ZINC000878002509 1125112412 /nfs/dbraw/zinc/11/24/12/1125112412.db2.gz YGBYDSUXUVABGP-UHFFFAOYSA-N 0 1 274.364 3.582 20 0 CHADMN Clc1ncsc1CN1CC[C@H](c2ccccc2)C1 ZINC000878014577 1125112513 /nfs/dbraw/zinc/11/25/13/1125112513.db2.gz OQRWTBPYVXZFKS-LBPRGKRZSA-N 0 1 278.808 3.786 20 0 CHADMN C[C@@H](CN(C)C(=O)c1cccc2[nH]cnc21)C1CCCCC1 ZINC000530035841 1125114851 /nfs/dbraw/zinc/11/48/51/1125114851.db2.gz ALUFINYRZBZIEG-ZDUSSCGKSA-N 0 1 299.418 3.851 20 0 CHADMN Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(C)cn1)CCC2 ZINC000121404922 1125119613 /nfs/dbraw/zinc/11/96/13/1125119613.db2.gz BEAYUSSDEOGJMT-HNNXBMFYSA-N 0 1 287.432 3.664 20 0 CHADMN C=C/C=C\CCN(C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000878118681 1125120568 /nfs/dbraw/zinc/12/05/68/1125120568.db2.gz DJIOVEZMIJHLKF-OOFWQKGWSA-N 0 1 299.393 3.713 20 0 CHADMN Cc1conc1CN1CCC[C@@H]1c1cccc(C)c1C ZINC000878131480 1125121866 /nfs/dbraw/zinc/12/18/66/1125121866.db2.gz QVRWVNLKYWSKTB-QGZVFWFLSA-N 0 1 270.376 3.937 20 0 CHADMN CC[C@@H](NC(=O)c1[nH]nc(C)c1C)c1cc(C)ccc1C ZINC000530100509 1125122568 /nfs/dbraw/zinc/12/25/68/1125122568.db2.gz XZBJCBYILLFVIP-OAHLLOKOSA-N 0 1 285.391 3.524 20 0 CHADMN C[C@@H]1c2ccccc2CN1C[C@@H]1CC2(CCC2)CO1 ZINC000878157662 1125125696 /nfs/dbraw/zinc/12/56/96/1125125696.db2.gz JRMBXWPAUSKZJN-HIFRSBDPSA-N 0 1 257.377 3.522 20 0 CHADMN CCC1CCC([N@@H+](C)Cc2nccn2CC(F)F)CC1 ZINC000878164233 1125125881 /nfs/dbraw/zinc/12/58/81/1125125881.db2.gz CLVHIXHFFXPZPM-UHFFFAOYSA-N 0 1 285.382 3.549 20 0 CHADMN CCC1CCC(N(C)Cc2nccn2CC(F)F)CC1 ZINC000878164233 1125125884 /nfs/dbraw/zinc/12/58/84/1125125884.db2.gz CLVHIXHFFXPZPM-UHFFFAOYSA-N 0 1 285.382 3.549 20 0 CHADMN CC(C)[C@H](O)CC[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000878204710 1125131040 /nfs/dbraw/zinc/13/10/40/1125131040.db2.gz WUXAFBLDPVYCKY-GXTWGEPZSA-N 0 1 292.448 3.696 20 0 CHADMN CC(C)[C@H](O)CCN(C)[C@@H](C)c1nc2ccccc2s1 ZINC000878204710 1125131043 /nfs/dbraw/zinc/13/10/43/1125131043.db2.gz WUXAFBLDPVYCKY-GXTWGEPZSA-N 0 1 292.448 3.696 20 0 CHADMN CC(C)N(CCCC1CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000878217995 1125132330 /nfs/dbraw/zinc/13/23/30/1125132330.db2.gz HNYHBBWJQPFIBV-UHFFFAOYSA-N 0 1 299.418 3.736 20 0 CHADMN CC[C@](C)(NC[C@H]1CCCC(C)(C)O1)c1nccs1 ZINC000878254415 1125136053 /nfs/dbraw/zinc/13/60/53/1125136053.db2.gz VNDPBBMJJMNQFO-DOMZBBRYSA-N 0 1 282.453 3.706 20 0 CHADMN Cc1cccc(CN(C)C[C@H]2CC[C@@H](c3ccccc3)O2)n1 ZINC000878254874 1125136163 /nfs/dbraw/zinc/13/61/63/1125136163.db2.gz IPPPLMDHZZMRDR-MOPGFXCFSA-N 0 1 296.414 3.742 20 0 CHADMN C[C@@H]1CCN(Cc2nc3c(o2)CCCC3)CC12CCC2 ZINC000878337094 1125142354 /nfs/dbraw/zinc/14/23/54/1125142354.db2.gz BSPGCDCGPSTBAO-CYBMUJFWSA-N 0 1 274.408 3.566 20 0 CHADMN COc1ccc(C)cc1CNCc1ccc(C)cc1OC ZINC000151026073 1125142649 /nfs/dbraw/zinc/14/26/49/1125142649.db2.gz MZPSPWOLBNSIHV-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN CC(C)[C@@H](NCC1CC2(CCC2)C1)c1nc(C2CC2)no1 ZINC000878374770 1125146156 /nfs/dbraw/zinc/14/61/56/1125146156.db2.gz IMBZTFXJNCRSEE-CQSZACIVSA-N 0 1 289.423 3.814 20 0 CHADMN C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCCOC(F)(F)F ZINC000878392694 1125147092 /nfs/dbraw/zinc/14/70/92/1125147092.db2.gz PXZTVNHHIBAGGR-DTWKUNHWSA-N 0 1 293.251 3.576 20 0 CHADMN C[C@H]1CC[C@@H](C(F)(F)F)CN1CCCOC(F)(F)F ZINC000878392694 1125147099 /nfs/dbraw/zinc/14/70/99/1125147099.db2.gz PXZTVNHHIBAGGR-DTWKUNHWSA-N 0 1 293.251 3.576 20 0 CHADMN CC[C@@H](NC[C@@H]1CCCC(C)(C)O1)c1nc(C)cs1 ZINC000878408086 1125149836 /nfs/dbraw/zinc/14/98/36/1125149836.db2.gz JMIZZZCZBJDWJY-QWHCGFSZSA-N 0 1 282.453 3.840 20 0 CHADMN FC1(F)CCC[C@@H]1CCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000878601142 1125164753 /nfs/dbraw/zinc/16/47/53/1125164753.db2.gz HHOYSXWBPGOZES-TZMCWYRMSA-N 0 1 283.366 3.762 20 0 CHADMN COc1cc(C)c(CN(C)Cc2ccc(C)o2)cc1OC ZINC000122115063 1125176763 /nfs/dbraw/zinc/17/67/63/1125176763.db2.gz JZQBPQOOIURPPA-UHFFFAOYSA-N 0 1 289.375 3.546 20 0 CHADMN Cc1ccc(CN(Cc2cccs2)C2CC2)cn1 ZINC000122167881 1125177970 /nfs/dbraw/zinc/17/79/70/1125177970.db2.gz JKHCJIGZEIYILW-UHFFFAOYSA-N 0 1 258.390 3.616 20 0 CHADMN Cc1ccc(CN2CCC23CCCC3)nc1Cl ZINC000878801082 1125179702 /nfs/dbraw/zinc/17/97/02/1125179702.db2.gz FPPXQFPUJGSKAZ-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN C[C@@H](NCc1nc2c(o1)CCCC2)C1CCC(F)CC1 ZINC000878990020 1125188827 /nfs/dbraw/zinc/18/88/27/1125188827.db2.gz VXZYJCHSJZLAGE-PNESKVBLSA-N 0 1 280.387 3.560 20 0 CHADMN CC(C)(C)SCCCN1CCC[C@@H]1c1ncccn1 ZINC000878979210 1125189128 /nfs/dbraw/zinc/18/91/28/1125189128.db2.gz WBDMCNOOXCIYNL-CYBMUJFWSA-N 0 1 279.453 3.535 20 0 CHADMN CC[C@H](N[C@H](CO)c1ccccc1)c1ccc(F)cc1F ZINC000305107805 1125193093 /nfs/dbraw/zinc/19/30/93/1125193093.db2.gz DPXKJYFVDIBHAZ-DLBZAZTESA-N 0 1 291.341 3.739 20 0 CHADMN CC1(C)CN(Cc2ccccc2OC(F)F)CCS1 ZINC000531202389 1125200418 /nfs/dbraw/zinc/20/04/18/1125200418.db2.gz CXVBAJWTMAWTAN-UHFFFAOYSA-N 0 1 287.375 3.615 20 0 CHADMN Cc1cccc2c(CN3CCC(F)(F)C(C)(C)C3)[nH]nc21 ZINC001137142249 1125203620 /nfs/dbraw/zinc/20/36/20/1125203620.db2.gz WCAQXJLEIHSQSA-UHFFFAOYSA-N 0 1 293.361 3.739 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000122770271 1125203756 /nfs/dbraw/zinc/20/37/56/1125203756.db2.gz UDKSSJLHDBJSFR-SWLSCSKDSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1cccc2c(CN(C)Cc3ccc(F)cc3)[nH]nc21 ZINC001137142302 1125203868 /nfs/dbraw/zinc/20/38/68/1125203868.db2.gz XIWUKKDIIXKQQM-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN COc1ccc(CN(C)Cc2[nH]nc3c2cccc3C)cc1 ZINC001137143218 1125206547 /nfs/dbraw/zinc/20/65/47/1125206547.db2.gz FDYBRRAIMRYQKU-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)CC(C)(C)CC(F)F)c1 ZINC000879395259 1125211231 /nfs/dbraw/zinc/21/12/31/1125211231.db2.gz DPYCCELXXZRWCD-UHFFFAOYSA-N 0 1 299.317 3.605 20 0 CHADMN CC(C)OC1CC(N2CCC[C@](F)(c3ccccc3)C2)C1 ZINC000879477479 1125215637 /nfs/dbraw/zinc/21/56/37/1125215637.db2.gz HUUDRUFAQXTUFB-DAWZGUTISA-N 0 1 291.410 3.903 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H]2CSC[C@H]2C1 ZINC000879559135 1125219749 /nfs/dbraw/zinc/21/97/49/1125219749.db2.gz NFRBTWYMXMFBCO-JHJVBQTASA-N 0 1 294.464 3.718 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1nc2cc(Cl)ccc2n1C ZINC000123080398 1125221826 /nfs/dbraw/zinc/22/18/26/1125221826.db2.gz LTLWHPSWSKPXSZ-QWRGUYRKSA-N 0 1 277.799 3.600 20 0 CHADMN CN(CCc1ccccc1)Cc1cc(F)ccc1F ZINC000531472708 1125223219 /nfs/dbraw/zinc/22/32/19/1125223219.db2.gz OANFYBGKROMUNX-UHFFFAOYSA-N 0 1 261.315 3.639 20 0 CHADMN CCn1c(C)cc(C(=O)CN(C2CC2)C2CCCC2)c1C ZINC000531493421 1125223443 /nfs/dbraw/zinc/22/34/43/1125223443.db2.gz WUPYCKNCIBQCQA-UHFFFAOYSA-N 0 1 288.435 3.715 20 0 CHADMN FC[C@H](NCCc1cccs1)c1ccc(F)cc1 ZINC000879659824 1125224292 /nfs/dbraw/zinc/22/42/92/1125224292.db2.gz AFTSIKBDBOTVSR-AWEZNQCLSA-N 0 1 267.344 3.730 20 0 CHADMN Cc1nsc(C)c1CN[C@@H](C)c1cc2cnccc2o1 ZINC000879715571 1125226986 /nfs/dbraw/zinc/22/69/86/1125226986.db2.gz ZIQDAFJTVRWLII-JTQLQIEISA-N 0 1 287.388 3.752 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NCc1cc(Cl)cc(Cl)c1 ZINC000237568180 1125228239 /nfs/dbraw/zinc/22/82/39/1125228239.db2.gz YHRKFZUXKHERMG-VIFPVBQESA-N 0 1 298.217 3.886 20 0 CHADMN Cc1cccc2c(CN3CCC[C@@H]3c3ccncc3)[nH]nc21 ZINC001137146301 1125229104 /nfs/dbraw/zinc/22/91/04/1125229104.db2.gz GHFUVFSFKYLBFU-QGZVFWFLSA-N 0 1 292.386 3.603 20 0 CHADMN COCc1cccc(C[N@H+]2CCC[C@@H]2c2cncc(C)c2)c1 ZINC000879750137 1125229973 /nfs/dbraw/zinc/22/99/73/1125229973.db2.gz QDDBVQQSSJDHGY-LJQANCHMSA-N 0 1 296.414 3.874 20 0 CHADMN C[C@]1(C2CCCCC2)CCN1Cc1cnc(Cl)cn1 ZINC000879790031 1125234335 /nfs/dbraw/zinc/23/43/35/1125234335.db2.gz KNPVXOQJAWGQRF-OAHLLOKOSA-N 0 1 279.815 3.675 20 0 CHADMN CN(Cc1ccc(F)c(Cl)c1Cl)CC1(C)COC1 ZINC000628423696 1125238308 /nfs/dbraw/zinc/23/83/08/1125238308.db2.gz FYGOIJBHOYADMH-UHFFFAOYSA-N 0 1 292.181 3.601 20 0 CHADMN Cc1cccc2c(C[N@H+]3CCC[C@@H]3c3ccccn3)[nH]nc21 ZINC001137147677 1125239498 /nfs/dbraw/zinc/23/94/98/1125239498.db2.gz AAXIXMDMJOQKOC-QGZVFWFLSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1cccc2c(CN3CCC[C@@H]3c3ccccn3)[nH]nc21 ZINC001137147677 1125239502 /nfs/dbraw/zinc/23/95/02/1125239502.db2.gz AAXIXMDMJOQKOC-QGZVFWFLSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1cccc2c(C[N@H+]3CC[C@H]3c3ccccc3)[nH]nc21 ZINC001137149058 1125241863 /nfs/dbraw/zinc/24/18/63/1125241863.db2.gz CCNGEUKHMOBDPI-KRWDZBQOSA-N 0 1 277.371 3.818 20 0 CHADMN Cc1cccc2c(CN3CC[C@H]3c3ccccc3)[nH]nc21 ZINC001137149058 1125241870 /nfs/dbraw/zinc/24/18/70/1125241870.db2.gz CCNGEUKHMOBDPI-KRWDZBQOSA-N 0 1 277.371 3.818 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@H]2CCc3ccc(F)cc32)cn1 ZINC000532229025 1125242119 /nfs/dbraw/zinc/24/21/19/1125242119.db2.gz WLAZQFRNHWZXGW-SJCJKPOMSA-N 0 1 287.382 3.941 20 0 CHADMN COC(C)(C)CN(C)Cc1nc(-c2ccccc2)oc1C ZINC000532339922 1125249326 /nfs/dbraw/zinc/24/93/26/1125249326.db2.gz HOXFYQWZNGIOFF-UHFFFAOYSA-N 0 1 288.391 3.507 20 0 CHADMN CC[C@]1(C)CCN(Cc2nc(-c3ccc(C)cc3)no2)C1 ZINC000532344131 1125249638 /nfs/dbraw/zinc/24/96/38/1125249638.db2.gz HZABFNKWLJBNPX-QGZVFWFLSA-N 0 1 285.391 3.667 20 0 CHADMN CCc1nnc(C[N@@H+](C)C2(Cc3ccccc3)CCCC2)o1 ZINC000880123743 1125251866 /nfs/dbraw/zinc/25/18/66/1125251866.db2.gz XDWAEHCTEYZHRG-UHFFFAOYSA-N 0 1 299.418 3.619 20 0 CHADMN O=C(Cc1ccc(F)cc1)Nc1cc(Cl)c(O)cc1F ZINC000170185726 1125256377 /nfs/dbraw/zinc/25/63/77/1125256377.db2.gz ZKALNPHPOYJTOI-UHFFFAOYSA-N 0 1 297.688 3.505 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CC[C@@H](c2nccs2)C1 ZINC000880317102 1125264320 /nfs/dbraw/zinc/26/43/20/1125264320.db2.gz PIFDTSZXMBJXQE-CMPLNLGQSA-N 0 1 294.370 3.972 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@@H](c2nccs2)C1 ZINC000880317050 1125264729 /nfs/dbraw/zinc/26/47/29/1125264729.db2.gz OSOYLODHWHMVKP-GHMZBOCLSA-N 0 1 294.370 3.972 20 0 CHADMN CC(C)N1CCC[C@H](Oc2ccnc(Cl)c2Cl)C1 ZINC001228580474 1125265213 /nfs/dbraw/zinc/26/52/13/1125265213.db2.gz XRRIHVCUTUWFDC-JTQLQIEISA-N 0 1 289.206 3.640 20 0 CHADMN Cc1oncc1CN1CCCSC[C@H]1c1ccccc1 ZINC000880387732 1125270793 /nfs/dbraw/zinc/27/07/93/1125270793.db2.gz MFLJMECMOWAMFX-INIZCTEOSA-N 0 1 288.416 3.663 20 0 CHADMN c1ccc2c(c1)[C@H]1CC[C@@H]2N(Cc2cccnc2)C1 ZINC000880538545 1125279450 /nfs/dbraw/zinc/27/94/50/1125279450.db2.gz MRFKOCRGOPTSMO-YOEHRIQHSA-N 0 1 250.345 3.516 20 0 CHADMN CCc1nocc1CN1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880536069 1125279562 /nfs/dbraw/zinc/27/95/62/1125279562.db2.gz IKVZBDNNHSFVKD-SJCJKPOMSA-N 0 1 268.360 3.671 20 0 CHADMN Cc1nc(CN2[C@H](C)C[C@H](c3ccccc3)C2(C)C)no1 ZINC000880592161 1125281510 /nfs/dbraw/zinc/28/15/10/1125281510.db2.gz OSLCDUCNIJLVKP-IUODEOHRSA-N 0 1 285.391 3.535 20 0 CHADMN C[C@H](N[C@H]1CCO[C@@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000135294473 1125285864 /nfs/dbraw/zinc/28/58/64/1125285864.db2.gz PTIOUCAKUWGTQI-DAROEXNTSA-N 0 1 292.181 3.961 20 0 CHADMN CN(Cc1ccnc(N)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000191412308 1125325435 /nfs/dbraw/zinc/32/54/35/1125325435.db2.gz FLKOXGVGNHJPMV-UHFFFAOYSA-N 0 1 296.201 3.603 20 0 CHADMN C[C@@H](NCc1ccnc(N)c1)c1cccc(Cl)c1Cl ZINC000191607417 1125326410 /nfs/dbraw/zinc/32/64/10/1125326410.db2.gz BSEBWHRBNFORKF-SECBINFHSA-N 0 1 296.201 3.821 20 0 CHADMN C(Sc1nc(C2CC2)n[nH]1)[C@H]1CCC2(CCCCC2)O1 ZINC000191735302 1125328065 /nfs/dbraw/zinc/32/80/65/1125328065.db2.gz HJXSSISQXKDVJM-GFCCVEGCSA-N 0 1 293.436 3.656 20 0 CHADMN C(Sc1n[nH]c(C2CC2)n1)[C@H]1CCC2(CCCCC2)O1 ZINC000191735302 1125328069 /nfs/dbraw/zinc/32/80/69/1125328069.db2.gz HJXSSISQXKDVJM-GFCCVEGCSA-N 0 1 293.436 3.656 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)c1ccccn1)[C@@H]1CC1(F)F ZINC000666229617 1125334073 /nfs/dbraw/zinc/33/40/73/1125334073.db2.gz SQDKVUZUCKHJBD-NOLJZWGESA-N 0 1 288.341 3.804 20 0 CHADMN Cc1ccc2nc(SCc3nnc(C(C)C)o3)[nH]c2c1 ZINC000170696848 1125345220 /nfs/dbraw/zinc/34/52/20/1125345220.db2.gz LQWCHXBPIXZWOH-UHFFFAOYSA-N 0 1 288.376 3.670 20 0 CHADMN C[C@@H](CN(C)Cc1nccn1C(F)F)c1ccccc1 ZINC000170774862 1125345791 /nfs/dbraw/zinc/34/57/91/1125345791.db2.gz YNVGLTVQFRWRDD-LBPRGKRZSA-N 0 1 279.334 3.514 20 0 CHADMN Fc1cccc2c1C[N@@H+](CCc1noc3ccccc31)CC2 ZINC000653595455 1125350859 /nfs/dbraw/zinc/35/08/59/1125350859.db2.gz JCTJDMRFVBFJRG-UHFFFAOYSA-N 0 1 296.345 3.568 20 0 CHADMN Fc1cccc2c1CN(CCc1noc3ccccc31)CC2 ZINC000653595455 1125350861 /nfs/dbraw/zinc/35/08/61/1125350861.db2.gz JCTJDMRFVBFJRG-UHFFFAOYSA-N 0 1 296.345 3.568 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](CCC12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000263333576 1125351264 /nfs/dbraw/zinc/35/12/64/1125351264.db2.gz MVGCIRULEHKKKO-QLFDAEIZSA-N 0 1 291.435 3.530 20 0 CHADMN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(F)c1O ZINC001124436075 1131350632 /nfs/dbraw/zinc/35/06/32/1131350632.db2.gz ASCRIFBZCFVZLB-UHFFFAOYSA-N 0 1 299.223 3.802 20 0 CHADMN CCCN(CCC)c1ccc(NCc2ccncc2N)cc1 ZINC000883158254 1125374040 /nfs/dbraw/zinc/37/40/40/1125374040.db2.gz ZOVGLBFJZASCKP-UHFFFAOYSA-N 0 1 298.434 3.902 20 0 CHADMN C[C@H]1CCCCC[C@@H]1NCc1noc(-c2cccs2)n1 ZINC000681411574 1125378975 /nfs/dbraw/zinc/37/89/75/1125378975.db2.gz GRSZZOLIQNBYOF-RYUDHWBXSA-N 0 1 291.420 3.857 20 0 CHADMN CC[C@H](NCc1cc(C)nn1C)c1sccc1Cl ZINC000883220559 1125380015 /nfs/dbraw/zinc/38/00/15/1125380015.db2.gz LPPSBLKKYJEVBT-LBPRGKRZSA-N 0 1 283.828 3.684 20 0 CHADMN CC(C)c1nc(CN2C[C@H](C)C[C@H]2c2ccccc2)n[nH]1 ZINC000428939546 1125382527 /nfs/dbraw/zinc/38/25/27/1125382527.db2.gz AGBUHFSZZMKVPN-HIFRSBDPSA-N 0 1 284.407 3.511 20 0 CHADMN CCSc1ccc(CN[C@@H](C)c2cnn(CC)c2)cc1 ZINC000883244732 1125383044 /nfs/dbraw/zinc/38/30/44/1125383044.db2.gz VNHCJEXRUHZPGF-ZDUSSCGKSA-N 0 1 289.448 3.866 20 0 CHADMN C/C=C/C[C@@H]1CCCN(Cc2ncc(C3CC3)o2)C1 ZINC000626164008 1125383137 /nfs/dbraw/zinc/38/31/37/1125383137.db2.gz UXGSIPCZIPVDHH-YWVDXFKGSA-N 0 1 260.381 3.730 20 0 CHADMN COc1ccc(C2CC2)cc1CNCc1cnc(C)s1 ZINC000883258610 1125386657 /nfs/dbraw/zinc/38/66/57/1125386657.db2.gz ILQZDZJLKVDLEE-UHFFFAOYSA-N 0 1 288.416 3.627 20 0 CHADMN COc1ccc(C2CC2)cc1CNCc1cccs1 ZINC000883258973 1125386739 /nfs/dbraw/zinc/38/67/39/1125386739.db2.gz XAWPHLJDRQTYKY-UHFFFAOYSA-N 0 1 273.401 3.924 20 0 CHADMN COc1ccc(C2CC2)cc1CN[C@@H](C)c1cccnc1 ZINC000883266256 1125388558 /nfs/dbraw/zinc/38/85/58/1125388558.db2.gz VWCKUTBOTCRASG-ZDUSSCGKSA-N 0 1 282.387 3.818 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000227582697 1125392901 /nfs/dbraw/zinc/39/29/01/1125392901.db2.gz GAVXANOXXAZUTA-WWGRRREGSA-N 0 1 283.371 3.696 20 0 CHADMN C[C@@H](NC1(c2ncccn2)CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000883312100 1125393823 /nfs/dbraw/zinc/39/38/23/1125393823.db2.gz UAZJFHRRYKAFPH-HZSPNIEDSA-N 0 1 299.443 3.699 20 0 CHADMN CC(C)(C)c1nc(C[N@H+]2CCCCC[C@@H]2CCO)cs1 ZINC000342042539 1125395484 /nfs/dbraw/zinc/39/54/84/1125395484.db2.gz CYLJEVCTMDAOSU-CQSZACIVSA-N 0 1 296.480 3.568 20 0 CHADMN CC(C)(C)c1nc(CN2CCCCC[C@@H]2CCO)cs1 ZINC000342042539 1125395486 /nfs/dbraw/zinc/39/54/86/1125395486.db2.gz CYLJEVCTMDAOSU-CQSZACIVSA-N 0 1 296.480 3.568 20 0 CHADMN CCCCc1nc(CN2CCCCC[C@@H]2CCO)cs1 ZINC000342056665 1125395885 /nfs/dbraw/zinc/39/58/85/1125395885.db2.gz BUWCSPLAZUOBBG-OAHLLOKOSA-N 0 1 296.480 3.613 20 0 CHADMN Cc1nc2c(n1Cc1ccc(F)c(Cl)c1)CCCC2 ZINC000231077310 1125395997 /nfs/dbraw/zinc/39/59/97/1125395997.db2.gz FWCYSKPQYLUOTH-UHFFFAOYSA-N 0 1 278.758 3.911 20 0 CHADMN CN(Cc1csc(-c2ccoc2)n1)C1CCCC1 ZINC000170983642 1125397773 /nfs/dbraw/zinc/39/77/73/1125397773.db2.gz GWSCCSBZKRDECA-UHFFFAOYSA-N 0 1 262.378 3.778 20 0 CHADMN CC(C)(C)c1cnc(CNC[C@H]2CCC3(CCC3)O2)s1 ZINC000883363533 1125402029 /nfs/dbraw/zinc/40/20/29/1125402029.db2.gz HHXIBUHARODSSS-GFCCVEGCSA-N 0 1 294.464 3.632 20 0 CHADMN F[C@H]1CCc2ccccc2[C@H]1NCc1cccc2n[nH]cc21 ZINC000883381497 1125405910 /nfs/dbraw/zinc/40/59/10/1125405910.db2.gz ODORLWHQOCGMOR-FUHWJXTLSA-N 0 1 295.361 3.678 20 0 CHADMN CC(C)C[N@@H+](C)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000532486059 1125406928 /nfs/dbraw/zinc/40/69/28/1125406928.db2.gz CRVMKRFRRQJGPB-GOSISDBHSA-N 0 1 296.414 3.954 20 0 CHADMN CC(C)CN(C)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000532486059 1125406930 /nfs/dbraw/zinc/40/69/30/1125406930.db2.gz CRVMKRFRRQJGPB-GOSISDBHSA-N 0 1 296.414 3.954 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCCC[C@H](C)C3)n[nH]2)cc1 ZINC000475844386 1125407091 /nfs/dbraw/zinc/40/70/91/1125407091.db2.gz DFDQJCJGKORNFZ-AWEZNQCLSA-N 0 1 297.402 3.647 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@H+]1CCCCC(=O)[O-] ZINC000883415312 1125409869 /nfs/dbraw/zinc/40/98/69/1125409869.db2.gz SIDUXOTUMQWTGW-GDBMZVCRSA-N 0 1 289.419 3.898 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C)c(C)c1 ZINC000532549396 1125410105 /nfs/dbraw/zinc/41/01/05/1125410105.db2.gz BMDAVECFSIUXBZ-AWEZNQCLSA-N 0 1 276.424 3.608 20 0 CHADMN CC1(C)Nc2ccccc2[C@@H]1NCc1ccc(Cl)nc1 ZINC000883463499 1125411159 /nfs/dbraw/zinc/41/11/59/1125411159.db2.gz RGTLTVFQNFMQIO-HNNXBMFYSA-N 0 1 287.794 3.770 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1c2ccccc2NC1(C)C ZINC000883463520 1125411202 /nfs/dbraw/zinc/41/12/02/1125411202.db2.gz RPBAOOPGFLOFMK-MRXNPFEDSA-N 0 1 285.391 3.580 20 0 CHADMN Cc1noc(C)c1CN(C)CCCSCC(C)C ZINC000132025572 1125412624 /nfs/dbraw/zinc/41/26/24/1125412624.db2.gz HPYMEKDIHNJEKJ-UHFFFAOYSA-N 0 1 270.442 3.503 20 0 CHADMN CC1CCC([N@H+]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001168218637 1125417349 /nfs/dbraw/zinc/41/73/49/1125417349.db2.gz ZTQZHVWTJUREDI-BDVYOWHSSA-N 0 1 259.393 3.639 20 0 CHADMN C[C@H]1CC[C@H](CNC2(c3c(F)cccc3F)CCC2)O1 ZINC000626179002 1125420500 /nfs/dbraw/zinc/42/05/00/1125420500.db2.gz RLXKOSQKQZLBMQ-NWDGAFQWSA-N 0 1 281.346 3.501 20 0 CHADMN CO[C@@]1(C)CCCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000348232501 1125423103 /nfs/dbraw/zinc/42/31/03/1125423103.db2.gz QCNXWFMVRCJPRA-NHYWBVRUSA-N 0 1 269.335 3.527 20 0 CHADMN CN(Cc1ncc(-c2ccccc2F)o1)CC1CCC1 ZINC000119730184 1125427148 /nfs/dbraw/zinc/42/71/48/1125427148.db2.gz FIZDPRYJXWKYDB-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN Cc1cccc(C(C)(C)NC(=O)c2cccc3nc[nH]c32)c1 ZINC000532610778 1125427338 /nfs/dbraw/zinc/42/73/38/1125427338.db2.gz UQVXUNCRNLGTGT-UHFFFAOYSA-N 0 1 293.370 3.536 20 0 CHADMN CCN(Cc1cnc2cccc(C)n12)Cc1ccc(F)cc1 ZINC001137197684 1125428375 /nfs/dbraw/zinc/42/83/75/1125428375.db2.gz GYSWQBSLLFMZIY-UHFFFAOYSA-N 0 1 297.377 3.804 20 0 CHADMN Cc1cc(CN2C[C@@H](C)O[C@H](C3CC3)C2)c2ccccc2n1 ZINC000348248964 1125431871 /nfs/dbraw/zinc/43/18/71/1125431871.db2.gz XDSSHGQBPFWADD-KUHUBIRLSA-N 0 1 296.414 3.543 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc3cccc(C)n23)cc1C ZINC001137198850 1125432157 /nfs/dbraw/zinc/43/21/57/1125432157.db2.gz OTNMDSJQTMKDMU-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN Cc1cnc(=S)n(CN2CCC3(CCCC3)CC2)c1 ZINC000133139944 1125433469 /nfs/dbraw/zinc/43/34/69/1125433469.db2.gz KVSDNBCLPSSERP-UHFFFAOYSA-N 0 1 277.437 3.535 20 0 CHADMN CCOc1c(Cl)cc(CN2CCC[C@H]2C)cc1OC ZINC000124300188 1125436377 /nfs/dbraw/zinc/43/63/77/1125436377.db2.gz HPLGSURJSWESCG-LLVKDONJSA-N 0 1 283.799 3.732 20 0 CHADMN C[C@@H]1CCCN1Cc1nc(-c2ccccc2)cs1 ZINC000124340147 1125437038 /nfs/dbraw/zinc/43/70/38/1125437038.db2.gz GUIUICMUSPSEFS-GFCCVEGCSA-N 0 1 258.390 3.794 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2csc(-c3ccccn3)n2)C1 ZINC000429559449 1125439213 /nfs/dbraw/zinc/43/92/13/1125439213.db2.gz HNWUXLIOCTYHQC-JSGCOSHPSA-N 0 1 287.432 3.826 20 0 CHADMN C[C@@H]1CC[C@H](N(C)Cc2csc(-c3ccccn3)n2)C1 ZINC000429559454 1125439435 /nfs/dbraw/zinc/43/94/35/1125439435.db2.gz HNWUXLIOCTYHQC-OCCSQVGLSA-N 0 1 287.432 3.826 20 0 CHADMN CC[C@@H]1CN(Cc2cc(C)nc3ccccc23)C[C@H](C)O1 ZINC000124810410 1125443102 /nfs/dbraw/zinc/44/31/02/1125443102.db2.gz XHAAXHAYRGBLFZ-GOEBONIOSA-N 0 1 284.403 3.543 20 0 CHADMN Cc1ccc(O)c(CN(C)[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000124929696 1125443320 /nfs/dbraw/zinc/44/33/20/1125443320.db2.gz DZRIFDBBEBIRCA-NSHDSACASA-N 0 1 292.329 3.567 20 0 CHADMN Cc1ccccc1[C@H](C(C)C)N(C)Cc1cc[nH]n1 ZINC000125124245 1125445091 /nfs/dbraw/zinc/44/50/91/1125445091.db2.gz JOQKDUOFCIZTCQ-INIZCTEOSA-N 0 1 257.381 3.547 20 0 CHADMN CC[C@H]1CCN(Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000125420028 1125448505 /nfs/dbraw/zinc/44/85/05/1125448505.db2.gz GTKQKPKIMMSFKH-NSHDSACASA-N 0 1 291.782 3.622 20 0 CHADMN CSCC[C@H](C)N(C)Cc1cccc(F)c1F ZINC000126397106 1125455136 /nfs/dbraw/zinc/45/51/36/1125455136.db2.gz ARDLQIWMUUUKCY-JTQLQIEISA-N 0 1 259.365 3.538 20 0 CHADMN CCC[C@@H]1CCCN([C@@H](C)C(=O)c2c[nH]c3ncccc23)C1 ZINC000348269875 1125456742 /nfs/dbraw/zinc/45/67/42/1125456742.db2.gz WNDOFFWFHCWVNW-UONOGXRCSA-N 0 1 299.418 3.646 20 0 CHADMN CCN(CCC(F)(F)F)Cc1cccc2c1NCCC2 ZINC000689074655 1129181522 /nfs/dbraw/zinc/18/15/22/1129181522.db2.gz CXPVUHMCAMKUFY-UHFFFAOYSA-N 0 1 286.341 3.819 20 0 CHADMN CCOc1cncc(CN(Cc2ccccc2)C2CC2)c1 ZINC000621710725 1129183043 /nfs/dbraw/zinc/18/30/43/1129183043.db2.gz NOVQKYAEVXADKO-UHFFFAOYSA-N 0 1 282.387 3.645 20 0 CHADMN CCCN(Cc1nccnc1C)[C@@H](C)c1ccccc1OC ZINC000621712002 1129184271 /nfs/dbraw/zinc/18/42/71/1129184271.db2.gz OWZHLUUOUGOTIY-HNNXBMFYSA-N 0 1 299.418 3.767 20 0 CHADMN CCOc1cncc(CN2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000621713317 1129184680 /nfs/dbraw/zinc/18/46/80/1129184680.db2.gz GNCXGCFDXKQOJH-SFHVURJKSA-N 0 1 298.386 3.523 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2nccnc2C)o1 ZINC000621719788 1129185277 /nfs/dbraw/zinc/18/52/77/1129185277.db2.gz WOAXPZGSEJGZFF-WBMJQRKESA-N 0 1 285.391 3.660 20 0 CHADMN CCCN(CC)Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000621730110 1129188133 /nfs/dbraw/zinc/18/81/33/1129188133.db2.gz VYKOIALIPPFHOP-UHFFFAOYSA-N 0 1 293.436 3.901 20 0 CHADMN COc1ccc(F)c(CN[C@H](c2cccnc2)C(C)C)c1 ZINC000621765995 1129191374 /nfs/dbraw/zinc/19/13/74/1129191374.db2.gz KCQCBYCQYKKNGR-KRWDZBQOSA-N 0 1 288.366 3.716 20 0 CHADMN CCN(CCc1nccs1)Cc1ccccc1Cl ZINC000159308888 1129199261 /nfs/dbraw/zinc/19/92/61/1129199261.db2.gz QMXAESFTUHCBHU-UHFFFAOYSA-N 0 1 280.824 3.861 20 0 CHADMN C[C@@H]1C[C@H]1N[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000671148105 1129199800 /nfs/dbraw/zinc/19/98/00/1129199800.db2.gz XOPJBLZNCBAEQJ-JLZZUVOBSA-N 0 1 298.361 3.504 20 0 CHADMN C[C@]1(C2CCCCC2)CCN1C(=O)c1ccc2cncn2c1 ZINC000636384373 1129201646 /nfs/dbraw/zinc/20/16/46/1129201646.db2.gz KOZGCZYPNULWLR-GOSISDBHSA-N 0 1 297.402 3.519 20 0 CHADMN CCC1(CC)CN(C(=O)c2[nH]c(C)nc2C)c2ccccc21 ZINC000621929690 1129207983 /nfs/dbraw/zinc/20/79/83/1129207983.db2.gz WWUBGQBMILIDOQ-UHFFFAOYSA-N 0 1 297.402 3.745 20 0 CHADMN COC(=O)c1sccc1CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000336888707 1129226273 /nfs/dbraw/zinc/22/62/73/1129226273.db2.gz FMDFSFDKQPOHOG-WCQYABFASA-N 0 1 281.421 3.545 20 0 CHADMN Cc1ccc([C@H](NCc2ncc(Cl)n2C)C2CC2)cc1 ZINC000298108738 1129226951 /nfs/dbraw/zinc/22/69/51/1129226951.db2.gz SOPUNJDLQUENDX-INIZCTEOSA-N 0 1 289.810 3.623 20 0 CHADMN COC1CCN(Cc2oc3ccccc3c2Cl)CC1 ZINC000637880692 1129233853 /nfs/dbraw/zinc/23/38/53/1129233853.db2.gz VFSAKUFIFIHKQO-UHFFFAOYSA-N 0 1 279.767 3.697 20 0 CHADMN Cc1cc(CN(Cc2cccc(O)c2)CC2CC2)sn1 ZINC000637987393 1129238776 /nfs/dbraw/zinc/23/87/76/1129238776.db2.gz PFRDATBFYNSNOC-UHFFFAOYSA-N 0 1 288.416 3.569 20 0 CHADMN Cc1cccc(NC(=O)c2cccc(C(F)(F)F)c2O)c1 ZINC000622272738 1129242458 /nfs/dbraw/zinc/24/24/58/1129242458.db2.gz GEFPWQGYHGVGTE-UHFFFAOYSA-N 0 1 295.260 3.972 20 0 CHADMN Cc1cccc([C@@H]2CCCN2[C@H](C)c2cnc(C)nc2C)n1 ZINC000638087641 1129242835 /nfs/dbraw/zinc/24/28/35/1129242835.db2.gz CWXKVPJOHBDKFE-KDOFPFPSSA-N 0 1 296.418 3.695 20 0 CHADMN CN(Cc1ccc[nH]1)Cc1ccc(CC(F)(F)F)cc1 ZINC000638150812 1129246376 /nfs/dbraw/zinc/24/63/76/1129246376.db2.gz YIYGORQKSNNHRK-UHFFFAOYSA-N 0 1 282.309 3.752 20 0 CHADMN Cc1cc(CN(CCC(F)(F)F)CC2CC2)sn1 ZINC000638172636 1129246798 /nfs/dbraw/zinc/24/67/98/1129246798.db2.gz XBXNLSQRGKAGQN-UHFFFAOYSA-N 0 1 278.343 3.616 20 0 CHADMN CC(C)N1CCN(C(=O)CC(C)(C)C2CCCCC2)CC1 ZINC000622299873 1129247162 /nfs/dbraw/zinc/24/71/62/1129247162.db2.gz QETCZIKSFIVWLX-UHFFFAOYSA-N 0 1 294.483 3.536 20 0 CHADMN Cc1cnc(CNCC2(c3ccccc3)CCCC2)o1 ZINC000638341754 1129255542 /nfs/dbraw/zinc/25/55/42/1129255542.db2.gz XZOPGXGIDUODDZ-UHFFFAOYSA-N 0 1 270.376 3.585 20 0 CHADMN CCCN(C)CC(=O)N(CC(C)C)c1ccc(Cl)cc1 ZINC000622440933 1129259307 /nfs/dbraw/zinc/25/93/07/1129259307.db2.gz PVLJUMDSAXCTJI-UHFFFAOYSA-N 0 1 296.842 3.671 20 0 CHADMN CC(C)(C)OCc1cccc(CNCc2ccns2)c1 ZINC000638481577 1129260248 /nfs/dbraw/zinc/26/02/48/1129260248.db2.gz KZDIMYPPCLCPDW-UHFFFAOYSA-N 0 1 290.432 3.748 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@@H]1NCc1cc(C2CC2)no1 ZINC000638524178 1129261163 /nfs/dbraw/zinc/26/11/63/1129261163.db2.gz LMNWBWXTVLSTRA-PIGZYNQJSA-N 0 1 268.360 3.575 20 0 CHADMN CC1(C)C(C(=O)Nc2cc(F)cc(Cl)c2O)C1(C)C ZINC000622519269 1129263647 /nfs/dbraw/zinc/26/36/47/1129263647.db2.gz XYPDLIXHEWMBSU-UHFFFAOYSA-N 0 1 285.746 3.805 20 0 CHADMN Cc1cnc(CNC[C@H](OC(C)C)c2ccccc2)s1 ZINC000638633758 1129264424 /nfs/dbraw/zinc/26/44/24/1129264424.db2.gz GMNAQACJMZPRHM-HNNXBMFYSA-N 0 1 290.432 3.707 20 0 CHADMN c1c2ccccc2oc1CCNCc1cc(C2CC2)no1 ZINC000638656621 1129264888 /nfs/dbraw/zinc/26/48/88/1129264888.db2.gz IPXFMAAJPAGUKV-UHFFFAOYSA-N 0 1 282.343 3.631 20 0 CHADMN CCC(CC)c1cc(CN[C@H](C)[C@H]2CC2(F)F)on1 ZINC000638688556 1129266315 /nfs/dbraw/zinc/26/63/15/1129266315.db2.gz GVDMNIJXDCGYQT-BXKDBHETSA-N 0 1 272.339 3.712 20 0 CHADMN CSc1ccc(F)cc1CNCc1cc(C)ns1 ZINC000638701763 1129266729 /nfs/dbraw/zinc/26/67/29/1129266729.db2.gz HOZWLBMEACODBR-UHFFFAOYSA-N 0 1 282.409 3.602 20 0 CHADMN CCC[C@H](CN[C@H](c1cccc(C)c1)c1ccccn1)OC ZINC000638814153 1129271353 /nfs/dbraw/zinc/27/13/53/1129271353.db2.gz VKCCSTYOMIPTOJ-IEBWSBKVSA-N 0 1 298.430 3.884 20 0 CHADMN C[C@H]1CCc2ccccc2[C@@H]1NCc1cc(C2CC2)no1 ZINC000638823472 1129271596 /nfs/dbraw/zinc/27/15/96/1129271596.db2.gz SBSOGSCTYQRFFZ-KPZWWZAWSA-N 0 1 282.387 3.965 20 0 CHADMN c1cnn(C2CC(N[C@H](c3ccco3)c3ccccc3)C2)c1 ZINC000638850883 1129272882 /nfs/dbraw/zinc/27/28/82/1129272882.db2.gz IBZDAJIPGGGAMV-HTWSVDAQSA-N 0 1 293.370 3.559 20 0 CHADMN CO[C@@H]1CC=C(Nc2scnc2C(C)C)CC1 ZINC001212878266 1129276548 /nfs/dbraw/zinc/27/65/48/1129276548.db2.gz IOSAPKKKYDHKNW-LLVKDONJSA-N 0 1 252.383 3.761 20 0 CHADMN C[C@@H]1CN(Cc2ccc(CF)cc2)Cc2ccccc2O1 ZINC000795432204 1129276878 /nfs/dbraw/zinc/27/68/78/1129276878.db2.gz GSRURLPABXXWRN-CQSZACIVSA-N 0 1 285.362 3.939 20 0 CHADMN Cc1noc([C@@H](C)N[C@H](C)CCc2c[nH]c3ccccc23)n1 ZINC000639097970 1129281228 /nfs/dbraw/zinc/28/12/28/1129281228.db2.gz NGZDXDSCEVRHFG-VXGBXAGGSA-N 0 1 298.390 3.531 20 0 CHADMN Cc1cnc(CN[C@@H]2CC[C@@H](c3cccc(F)c3)C2)o1 ZINC000639126503 1129284760 /nfs/dbraw/zinc/28/47/60/1129284760.db2.gz FMDFAVJIAQUIDY-UKRRQHHQSA-N 0 1 274.339 3.548 20 0 CHADMN C[C@@H](N[C@H](c1nnc[nH]1)C1CCCCC1)c1ccsc1 ZINC000639142169 1129286424 /nfs/dbraw/zinc/28/64/24/1129286424.db2.gz VUFCIQQDMAQYDG-RISCZKNCSA-N 0 1 290.436 3.838 20 0 CHADMN COc1cc(CN[C@H](C)c2ccsc2)c(Cl)cc1O ZINC000639141138 1129286907 /nfs/dbraw/zinc/28/69/07/1129286907.db2.gz MJBQYHOSPDXGDL-SECBINFHSA-N 0 1 297.807 3.967 20 0 CHADMN CCN(Cc1cc2ccccc2n1C)Cc1ccncc1 ZINC000639167551 1129288292 /nfs/dbraw/zinc/28/82/92/1129288292.db2.gz GSZNUALQNLMRLX-UHFFFAOYSA-N 0 1 279.387 3.595 20 0 CHADMN Cc1cc(CN(Cc2ccc(O)cc2)CC2CC2)sn1 ZINC000639171169 1129288345 /nfs/dbraw/zinc/28/83/45/1129288345.db2.gz TVOUECKFDFCNLH-UHFFFAOYSA-N 0 1 288.416 3.569 20 0 CHADMN CCN(Cc1csc(C)c1C)Cc1ccncc1 ZINC000639167830 1129288470 /nfs/dbraw/zinc/28/84/70/1129288470.db2.gz KFFYAPBMHCNBAD-UHFFFAOYSA-N 0 1 260.406 3.782 20 0 CHADMN CCc1cc(CNC(=O)[C@@H](CC)CC2CCCCC2)n[nH]1 ZINC000733969974 1129290527 /nfs/dbraw/zinc/29/05/27/1129290527.db2.gz ZMWDZGYOUGZKRU-AWEZNQCLSA-N 0 1 291.439 3.585 20 0 CHADMN COc1ccc(CN[C@H]2CCc3cccnc32)cc1Cl ZINC000718884833 1129295744 /nfs/dbraw/zinc/29/57/44/1129295744.db2.gz VRYDMVTZTSWZAH-AWEZNQCLSA-N 0 1 288.778 3.521 20 0 CHADMN Cc1cc(CN2CCC[C@H](CC(F)(F)F)C2)sn1 ZINC000639272299 1129298585 /nfs/dbraw/zinc/29/85/85/1129298585.db2.gz HIDKMBIIBUMYQJ-SNVBAGLBSA-N 0 1 278.343 3.616 20 0 CHADMN COc1ncc(CNC2(c3ccc(C)cc3)CCC2)s1 ZINC000639287428 1129300227 /nfs/dbraw/zinc/30/02/27/1129300227.db2.gz KSFUYSHMAJZFJX-UHFFFAOYSA-N 0 1 288.416 3.629 20 0 CHADMN CSCCCN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000246592034 1129305415 /nfs/dbraw/zinc/30/54/15/1129305415.db2.gz FVMJOPDFKBCVOR-FMKPAKJESA-N 0 1 279.449 3.590 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000639366795 1129307485 /nfs/dbraw/zinc/30/74/85/1129307485.db2.gz NOKMJERRBHNIKR-MJGOQNOKSA-N 0 1 299.389 3.832 20 0 CHADMN c1c(CN2CCC3(CCSCC3)CC2)onc1C1CC1 ZINC000639374641 1129309118 /nfs/dbraw/zinc/30/91/18/1129309118.db2.gz IKHNPVZHSHKXSF-UHFFFAOYSA-N 0 1 292.448 3.661 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CN1Cc1nc(C2CCC2)no1 ZINC000639490586 1129319526 /nfs/dbraw/zinc/31/95/26/1129319526.db2.gz SQEITFWVQJGNRA-BBRMVZONSA-N 0 1 297.402 3.715 20 0 CHADMN CO[C@@H]1CC=C(Nc2c(F)cc(F)cc2F)CC1 ZINC001212880298 1129320124 /nfs/dbraw/zinc/32/01/24/1129320124.db2.gz XCIBOQDSVXBEAH-SNVBAGLBSA-N 0 1 257.255 3.599 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1nc(C2CCC2)no1 ZINC000639524906 1129322112 /nfs/dbraw/zinc/32/21/12/1129322112.db2.gz CTIJDAPKJKIYFB-CJNGLKHVSA-N 0 1 297.402 3.715 20 0 CHADMN Cc1ncc2c(n1)CCC[C@@H]2N[C@@H](C)c1ccccc1F ZINC000734849552 1129323883 /nfs/dbraw/zinc/32/38/83/1129323883.db2.gz AYSDBEIQZLTWRW-ZBEGNZNMSA-N 0 1 285.366 3.652 20 0 CHADMN CC(=O)CN[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000639588053 1129324954 /nfs/dbraw/zinc/32/49/54/1129324954.db2.gz NPCROHKMCYKXIQ-LLVKDONJSA-N 0 1 261.752 3.733 20 0 CHADMN CC1(C)CO[C@H](CN2CC3(CCC3)[C@H]2c2ccco2)C1 ZINC000639664642 1129329042 /nfs/dbraw/zinc/32/90/42/1129329042.db2.gz ILCIFJPEHRLXOB-DZGCQCFKSA-N 0 1 275.392 3.622 20 0 CHADMN c1cnc([C@@H]2CCCN2CCCC2CCCC2)nc1 ZINC000639844590 1129335874 /nfs/dbraw/zinc/33/58/74/1129335874.db2.gz FDQGBMMHMBSKFI-HNNXBMFYSA-N 0 1 259.397 3.584 20 0 CHADMN c1cnc([C@H]2CCCN2Cc2cccc3ccccc32)nc1 ZINC000639840991 1129335977 /nfs/dbraw/zinc/33/59/77/1129335977.db2.gz QSEHRVPQWFZFHM-GOSISDBHSA-N 0 1 289.382 3.967 20 0 CHADMN CCc1ccc(CN2CCC(c3ccc(F)cn3)CC2)nc1 ZINC000639874514 1129337255 /nfs/dbraw/zinc/33/72/55/1129337255.db2.gz VSYQAXYUSDULRV-UHFFFAOYSA-N 0 1 299.393 3.558 20 0 CHADMN Fc1ccc(C2CCN(Cc3ccccc3F)CC2)nc1 ZINC000639869595 1129337418 /nfs/dbraw/zinc/33/74/18/1129337418.db2.gz MPXCEUGTKQMRGH-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN CCc1ccc(CONC(=O)C(C)(C)c2ccccc2)cc1 ZINC000735302818 1129339227 /nfs/dbraw/zinc/33/92/27/1129339227.db2.gz HRHJDOGUHBEUPT-UHFFFAOYSA-N 0 1 297.398 3.775 20 0 CHADMN Cc1nc(CCN2CC(C)(C)[C@@H]2c2ccco2)cs1 ZINC000639926689 1129340738 /nfs/dbraw/zinc/34/07/38/1129340738.db2.gz AUGFXHPLVFTFFW-AWEZNQCLSA-N 0 1 276.405 3.670 20 0 CHADMN Fc1ccccc1OC1CCN(CCC(F)(F)F)CC1 ZINC000639979013 1129342717 /nfs/dbraw/zinc/34/27/17/1129342717.db2.gz PUFXZMNVALSHMR-UHFFFAOYSA-N 0 1 291.288 3.621 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1ccc(C(F)F)cc1 ZINC001240771622 1129348443 /nfs/dbraw/zinc/34/84/43/1129348443.db2.gz SRDKLYDCHPLZDA-UHFFFAOYSA-N 0 1 263.222 3.702 20 0 CHADMN COCc1nc(CN2CC[C@]2(C)C2CCCCC2)cs1 ZINC000640220810 1129352111 /nfs/dbraw/zinc/35/21/11/1129352111.db2.gz XUODWVZRVISIBA-MRXNPFEDSA-N 0 1 294.464 3.834 20 0 CHADMN CCCn1c(C)nnc1CN1CC[C@]1(C)C1CCCCC1 ZINC000640219884 1129352191 /nfs/dbraw/zinc/35/21/91/1129352191.db2.gz OCAXCVSFMPQBGI-QGZVFWFLSA-N 0 1 290.455 3.541 20 0 CHADMN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000640330957 1129354868 /nfs/dbraw/zinc/35/48/68/1129354868.db2.gz KSZBUTCITFNYFP-ZJUUUORDSA-N 0 1 299.365 3.634 20 0 CHADMN C1CCC(c2noc([C@@H]3CC[C@@H]4CCCC[C@@H]4N3)n2)C1 ZINC000091355385 1129356787 /nfs/dbraw/zinc/35/67/87/1129356787.db2.gz QQAJMKXDEODAFA-UBHSHLNASA-N 0 1 275.396 3.711 20 0 CHADMN CCc1n[nH]cc1-c1nc(-c2cccc3c2CCCC3)no1 ZINC001212885238 1129357259 /nfs/dbraw/zinc/35/72/59/1129357259.db2.gz BMVAQAGZIZRGGW-UHFFFAOYSA-N 0 1 294.358 3.568 20 0 CHADMN CC(C)c1cnc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)o1 ZINC000735872014 1129359662 /nfs/dbraw/zinc/35/96/62/1129359662.db2.gz TWUADXDDIAYVSF-MGPQQGTHSA-N 0 1 262.397 3.951 20 0 CHADMN O=C(OCc1ccccc1Cl)c1c(F)cc(O)cc1F ZINC000735951328 1129361256 /nfs/dbraw/zinc/36/12/56/1129361256.db2.gz VCICRLPJILRQFP-UHFFFAOYSA-N 0 1 298.672 3.681 20 0 CHADMN CCc1n[nH]cc1-c1nc(-c2ccc3sccc3c2)no1 ZINC001212885732 1129361578 /nfs/dbraw/zinc/36/15/78/1129361578.db2.gz WWUJKNNOWRSQAR-UHFFFAOYSA-N 0 1 296.355 3.904 20 0 CHADMN COc1ccccc1[C@H](C)NCc1c(C)cccc1F ZINC000766215052 1129363739 /nfs/dbraw/zinc/36/37/39/1129363739.db2.gz BELVRTJERXTLPF-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN Cc1cc(C)nc(Nc2ccc(CO)c(Cl)c2)c1 ZINC001212888140 1129368314 /nfs/dbraw/zinc/36/83/14/1129368314.db2.gz HDQYZKSZNPDFDL-UHFFFAOYSA-N 0 1 262.740 3.588 20 0 CHADMN CC(C)C[C@@H](C)n1cc([C@H](N)c2ccc(Cl)cc2)nn1 ZINC000641095748 1129374256 /nfs/dbraw/zinc/37/42/56/1129374256.db2.gz WINAKULSDGRJKC-IAQYHMDHSA-N 0 1 292.814 3.587 20 0 CHADMN CSc1ccc(CNCc2ccc(C)s2)o1 ZINC000641707131 1129387871 /nfs/dbraw/zinc/38/78/71/1129387871.db2.gz ADCWUSZNISIUJI-UHFFFAOYSA-N 0 1 253.392 3.661 20 0 CHADMN Fc1cc(-c2cc(N3CCCC3)ccn2)cc(F)c1F ZINC001240977158 1129388991 /nfs/dbraw/zinc/38/89/91/1129388991.db2.gz RDCJETPAMWSWEF-UHFFFAOYSA-N 0 1 278.277 3.766 20 0 CHADMN Cc1cccc([C@@H](C)OC(=O)c2cccc3[nH]ncc32)c1 ZINC000737339285 1129389248 /nfs/dbraw/zinc/38/92/48/1129389248.db2.gz LGKWUNGJZDDOBN-GFCCVEGCSA-N 0 1 280.327 3.789 20 0 CHADMN Cc1ccc(NC(=O)CN(C)CC2CCCCC2)c(F)c1 ZINC000641888952 1129396754 /nfs/dbraw/zinc/39/67/54/1129396754.db2.gz KZKDOMPAZZZESQ-UHFFFAOYSA-N 0 1 292.398 3.585 20 0 CHADMN C[C@H](c1ccccc1)N1CCO[C@H](c2ccccc2)C1 ZINC000641959464 1129399083 /nfs/dbraw/zinc/39/90/83/1129399083.db2.gz FSZAGRFVAMJNAL-QAPCUYQASA-N 0 1 267.372 3.821 20 0 CHADMN Cc1ccccc1[C@H](C)NCc1nc2c(s1)CCC2 ZINC000093052778 1129415721 /nfs/dbraw/zinc/41/57/21/1129415721.db2.gz VMFCJGXWGUQXAM-LBPRGKRZSA-N 0 1 272.417 3.791 20 0 CHADMN c1ccc([C@H](NCc2nc3c(s2)CCC3)C2CC2)cc1 ZINC000093054168 1129415999 /nfs/dbraw/zinc/41/59/99/1129415999.db2.gz JLGPWQHKMRGKAM-KRWDZBQOSA-N 0 1 284.428 3.873 20 0 CHADMN COc1ccccc1CN(C)CCO[C@H]1CCCC[C@@H]1C ZINC000642525096 1129419923 /nfs/dbraw/zinc/41/99/23/1129419923.db2.gz MXNKJVZMOOMROO-RDJZCZTQSA-N 0 1 291.435 3.722 20 0 CHADMN OCC[C@@H](NCc1ccccc1Cl)c1cccs1 ZINC000740899691 1129423835 /nfs/dbraw/zinc/42/38/35/1129423835.db2.gz CXXBCGNYFUHQSC-CYBMUJFWSA-N 0 1 281.808 3.615 20 0 CHADMN C[C@H](OC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)c1cccc(F)c1 ZINC000741020656 1129426488 /nfs/dbraw/zinc/42/64/88/1129426488.db2.gz LKPUMRXCWIHGTM-MQYQWHSLSA-N 0 1 293.382 3.691 20 0 CHADMN C[C@H](C(=O)OCc1ccc(Cl)cc1)N1[C@H](C)CC[C@H]1C ZINC000741024230 1129426590 /nfs/dbraw/zinc/42/65/90/1129426590.db2.gz RZJWWPYEFVCHIZ-JHJVBQTASA-N 0 1 295.810 3.645 20 0 CHADMN C[C@H](c1noc(-c2cc3cccnc3[nH]2)n1)C(C)(C)C ZINC000643106783 1129428619 /nfs/dbraw/zinc/42/86/19/1129428619.db2.gz XNPZVUVNJDBXQZ-SECBINFHSA-N 0 1 270.336 3.763 20 0 CHADMN Cc1n[nH]c(C2CC2)c1-c1nc(-c2ccc(C)c(C)c2)no1 ZINC001212959099 1129432325 /nfs/dbraw/zinc/43/23/25/1129432325.db2.gz RWIYDSQTJCQPLC-UHFFFAOYSA-N 0 1 294.358 3.929 20 0 CHADMN CC[C@H]1CN(Cc2nccc3ccccc32)C[C@H](CC)O1 ZINC000643294956 1129436477 /nfs/dbraw/zinc/43/64/77/1129436477.db2.gz YNZBSNWIYRFEEJ-HOTGVXAUSA-N 0 1 284.403 3.624 20 0 CHADMN FC(F)Oc1ccc(CN2CC(C3CC3)C2)cc1Cl ZINC000643345751 1129439088 /nfs/dbraw/zinc/43/90/88/1129439088.db2.gz KMZPXIIUVXHEND-UHFFFAOYSA-N 0 1 287.737 3.783 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000180008695 1129443868 /nfs/dbraw/zinc/44/38/68/1129443868.db2.gz WTXTXKJIBYDEFO-JQWIXIFHSA-N 0 1 269.348 3.876 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@@H]1CCSc2c(F)cccc21 ZINC000180101223 1129450087 /nfs/dbraw/zinc/45/00/87/1129450087.db2.gz NZFRWBJHTISSDX-LKFCYVNXSA-N 0 1 291.395 3.745 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2ccnc(Cl)c2)s1 ZINC000795840817 1129450944 /nfs/dbraw/zinc/45/09/44/1129450944.db2.gz PMHWVXMRFWTPFV-BDAKNGLRSA-N 0 1 281.812 3.912 20 0 CHADMN Fc1cnc(Cl)c(CN2CCC[C@@H]3CCC[C@H]32)c1 ZINC001138893514 1129455773 /nfs/dbraw/zinc/45/57/73/1129455773.db2.gz GSMYSPFNBBEPOF-GXFFZTMASA-N 0 1 268.763 3.639 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1ccccc1OCC(C)C ZINC000180191025 1129457810 /nfs/dbraw/zinc/45/78/10/1129457810.db2.gz ZLIHCTSVPBDRHV-ZDUSSCGKSA-N 0 1 287.407 3.604 20 0 CHADMN CC1(C)CC[C@H](N2CCc3c([nH]nc3C(F)(F)F)C2)C1 ZINC001258609806 1129460217 /nfs/dbraw/zinc/46/02/17/1129460217.db2.gz ZQZQSSHFGCHUKI-JOYOIKCWSA-N 0 1 287.329 3.922 20 0 CHADMN CC1(C)CC[C@@H](N2CCc3c([nH]nc3C(F)(F)F)C2)C1 ZINC001258609808 1129460235 /nfs/dbraw/zinc/46/02/35/1129460235.db2.gz ZQZQSSHFGCHUKI-SKDRFNHKSA-N 0 1 287.329 3.922 20 0 CHADMN CCCCC[C@@H](NCc1oncc1C(=O)OC)C(C)(C)C ZINC000795983775 1129461412 /nfs/dbraw/zinc/46/14/12/1129461412.db2.gz IAKAYOKMSWCJBA-CQSZACIVSA-N 0 1 296.411 3.546 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1cccc(OCC(C)C)c1 ZINC000180226382 1129462347 /nfs/dbraw/zinc/46/23/47/1129462347.db2.gz LBJFXJKVXKZLGX-ZDUSSCGKSA-N 0 1 287.407 3.604 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@H]1CCOc2c(Cl)cccc21 ZINC000180295666 1129467932 /nfs/dbraw/zinc/46/79/32/1129467932.db2.gz KZCSFDWSTRDEEG-XPTSAGLGSA-N 0 1 291.782 3.546 20 0 CHADMN Cc1cc(N[C@H](c2nnc[nH]2)C2CCCCC2)ccc1F ZINC000644541846 1129469588 /nfs/dbraw/zinc/46/95/88/1129469588.db2.gz WCEGQZIOZVQWIR-HNNXBMFYSA-N 0 1 288.370 3.986 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@@H](C)c2cnc(C)cn2)cc1 ZINC000644626983 1129472577 /nfs/dbraw/zinc/47/25/77/1129472577.db2.gz REXMYZAHVNHLRK-KGLIPLIRSA-N 0 1 285.391 3.596 20 0 CHADMN Fc1ccccc1-n1ccc(CN2CCC(C3CC3)CC2)n1 ZINC000644719334 1129476389 /nfs/dbraw/zinc/47/63/89/1129476389.db2.gz SQJSKZYIKPTYKE-UHFFFAOYSA-N 0 1 299.393 3.633 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)CN(CCC1CCOCC1)CC3 ZINC000644998306 1129483502 /nfs/dbraw/zinc/48/35/02/1129483502.db2.gz HBUHQLCAAICILF-UHFFFAOYSA-N 0 1 298.430 3.651 20 0 CHADMN Clc1cscc1CNc1cc2c(cn1)CCC2 ZINC000645212523 1129491888 /nfs/dbraw/zinc/49/18/88/1129491888.db2.gz FIGOLKACWKHOJG-UHFFFAOYSA-N 0 1 264.781 3.897 20 0 CHADMN CCCCCC[C@](C)(CCC)C(=O)N[C@@H]1CCCN(C)C1 ZINC000742641080 1129492694 /nfs/dbraw/zinc/49/26/94/1129492694.db2.gz ZNEQDNLXMXZDSA-AEFFLSMTSA-N 0 1 296.499 3.974 20 0 CHADMN c1nn(-c2ccncc2)cc1N[C@H]1CCCC12CCCC2 ZINC000645450536 1129498075 /nfs/dbraw/zinc/49/80/75/1129498075.db2.gz RLUMYVFGOQCNFQ-INIZCTEOSA-N 0 1 282.391 3.792 20 0 CHADMN Fc1cccc(F)c1CCN1CCc2sccc2C1 ZINC000645771769 1129505901 /nfs/dbraw/zinc/50/59/01/1129505901.db2.gz CYOHCUHFWIYJPT-UHFFFAOYSA-N 0 1 279.355 3.627 20 0 CHADMN Fc1cccc(F)c1CCN(Cc1cccnc1)C1CC1 ZINC000645841831 1129509049 /nfs/dbraw/zinc/50/90/49/1129509049.db2.gz PKJMCEQSMFVRBI-UHFFFAOYSA-N 0 1 288.341 3.567 20 0 CHADMN CCc1nc([C@@H](C)NCCc2c(F)cccc2F)cs1 ZINC000645855812 1129510223 /nfs/dbraw/zinc/51/02/23/1129510223.db2.gz VIAIDLNRASHZAZ-SNVBAGLBSA-N 0 1 296.386 3.877 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCc1c(F)cccc1F ZINC000645895826 1129511886 /nfs/dbraw/zinc/51/18/86/1129511886.db2.gz OCQGGKVOGQNMOH-KOLCDFICSA-N 0 1 293.279 3.780 20 0 CHADMN CC[C@H](NCc1cc(C)co1)c1ccc(OC)cc1 ZINC000718070964 1129514496 /nfs/dbraw/zinc/51/44/96/1129514496.db2.gz TWJVUBPKFDLYEQ-INIZCTEOSA-N 0 1 259.349 3.838 20 0 CHADMN CCOc1ccc(CNC2(c3ccccc3C)CC2)nc1 ZINC000645979881 1129514884 /nfs/dbraw/zinc/51/48/84/1129514884.db2.gz NHQBEYLPYQWVKW-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN Cc1ccccc1C1(NCc2ccnn2C(C)C)CC1 ZINC000645980841 1129516296 /nfs/dbraw/zinc/51/62/96/1129516296.db2.gz OXBDEPBVHAKHDV-UHFFFAOYSA-N 0 1 269.392 3.551 20 0 CHADMN Cc1cnc(CN2CCC[C@@]2(C)Cc2ccccc2F)o1 ZINC000646012704 1129517499 /nfs/dbraw/zinc/51/74/99/1129517499.db2.gz WKSIIXIDDZXAHG-KRWDZBQOSA-N 0 1 288.366 3.719 20 0 CHADMN CN(CCC(C)(C)C)Cc1nc(-c2ccccc2F)no1 ZINC000646028703 1129519061 /nfs/dbraw/zinc/51/90/61/1129519061.db2.gz ULVJWYOUFUDZRM-UHFFFAOYSA-N 0 1 291.370 3.744 20 0 CHADMN CC(C)c1nnc(CN2CC[C@H]([C@H]3CCCC3(C)C)C2)o1 ZINC000646049272 1129519568 /nfs/dbraw/zinc/51/95/68/1129519568.db2.gz BVZFXSAPXOTRGY-UONOGXRCSA-N 0 1 291.439 3.841 20 0 CHADMN Cc1cc(C)cc(CN[C@H](CCO)c2ccccc2F)c1 ZINC000646067472 1129519896 /nfs/dbraw/zinc/51/98/96/1129519896.db2.gz ZMUCSGAYFFGIEC-GOSISDBHSA-N 0 1 287.378 3.656 20 0 CHADMN CN(Cn1cc[nH]c1=S)C1CCC(C(C)(C)C)CC1 ZINC000743359618 1129520398 /nfs/dbraw/zinc/52/03/98/1129520398.db2.gz ZHWFKFPDZIKHGM-UHFFFAOYSA-N 0 1 281.469 3.666 20 0 CHADMN OCC[C@@H](NCc1ccc2c(c1)CCC2)c1ccccc1F ZINC000646068212 1129520400 /nfs/dbraw/zinc/52/04/00/1129520400.db2.gz MSOWAOPPYUOLSJ-LJQANCHMSA-N 0 1 299.389 3.528 20 0 CHADMN C[C@H](c1csnn1)N1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000646052112 1129520444 /nfs/dbraw/zinc/52/04/44/1129520444.db2.gz BJACGZMVXWOFDS-JHJVBQTASA-N 0 1 279.453 3.747 20 0 CHADMN Cc1ccc(C)c(CN[C@@H](CCO)c2ccccc2F)c1 ZINC000646067244 1129520482 /nfs/dbraw/zinc/52/04/82/1129520482.db2.gz RCWFQYFASSPLDV-SFHVURJKSA-N 0 1 287.378 3.656 20 0 CHADMN CC[C@@H](C)CN(C)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743363044 1129520516 /nfs/dbraw/zinc/52/05/16/1129520516.db2.gz GIOUHWRDXKQJSC-DOMZBBRYSA-N 0 1 294.826 3.549 20 0 CHADMN CCc1cccc(CN[C@@H](CCO)c2ccccc2F)c1 ZINC000646070223 1129520527 /nfs/dbraw/zinc/52/05/27/1129520527.db2.gz OBOPFEHCXZUALA-SFHVURJKSA-N 0 1 287.378 3.601 20 0 CHADMN CN(CN1C(=O)C[C@H]1c1ccc(Cl)cc1)CC(C)(C)C ZINC000743365659 1129521009 /nfs/dbraw/zinc/52/10/09/1129521009.db2.gz SXXUTYSXLVFMLG-AWEZNQCLSA-N 0 1 294.826 3.549 20 0 CHADMN Oc1cccc(C[N@H+]2CC[C@@H](c3ccco3)C2)c1Cl ZINC000646087484 1129521032 /nfs/dbraw/zinc/52/10/32/1129521032.db2.gz WXMJTSOSACYMKQ-LLVKDONJSA-N 0 1 277.751 3.628 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1Cl ZINC000646087484 1129521033 /nfs/dbraw/zinc/52/10/33/1129521033.db2.gz WXMJTSOSACYMKQ-LLVKDONJSA-N 0 1 277.751 3.628 20 0 CHADMN [O-]c1cccc(C[N@H+]2CC[C@@H](c3ccco3)C2)c1Cl ZINC000646087484 1129521036 /nfs/dbraw/zinc/52/10/36/1129521036.db2.gz WXMJTSOSACYMKQ-LLVKDONJSA-N 0 1 277.751 3.628 20 0 CHADMN Cc1ccc([C@H](C)C(=O)Nc2cccc(Cl)c2O)o1 ZINC000743396636 1129521654 /nfs/dbraw/zinc/52/16/54/1129521654.db2.gz SUAAAWRORVWULT-VIFPVBQESA-N 0 1 279.723 3.689 20 0 CHADMN C[C@@H](N(C)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1)C(C)(C)C ZINC000743347643 1129521942 /nfs/dbraw/zinc/52/19/42/1129521942.db2.gz DXHXQKRDFJJCIJ-LZWOXQAQSA-N 0 1 288.435 3.530 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000251309895 1129522475 /nfs/dbraw/zinc/52/24/75/1129522475.db2.gz JVSBJHJRHMLFJW-SYQHCUMBSA-N 0 1 277.412 3.799 20 0 CHADMN Cc1nn(C)cc1CN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646118263 1129524198 /nfs/dbraw/zinc/52/41/98/1129524198.db2.gz GQWMAHSEMBXICR-GOSISDBHSA-N 0 1 293.414 3.622 20 0 CHADMN Cc1c(CN2CC3(CC=CC3)[C@@H]2c2ccccc2)cnn1C ZINC000646117670 1129524212 /nfs/dbraw/zinc/52/42/12/1129524212.db2.gz LVWKKDLTGDGWMS-SFHVURJKSA-N 0 1 293.414 3.622 20 0 CHADMN C[C@H]1C[N@@H+](CCCCC(F)(F)F)CC2(CCCC2)O1 ZINC000646134865 1129525715 /nfs/dbraw/zinc/52/57/15/1129525715.db2.gz VOUHUJBJNOKJHN-LBPRGKRZSA-N 0 1 279.346 3.753 20 0 CHADMN C[C@H]1CN(CCCCC(F)(F)F)CC2(CCCC2)O1 ZINC000646134865 1129525718 /nfs/dbraw/zinc/52/57/18/1129525718.db2.gz VOUHUJBJNOKJHN-LBPRGKRZSA-N 0 1 279.346 3.753 20 0 CHADMN C[C@@H]1C[C@H](N(C)Cc2nccs2)CC(C)(C)C1 ZINC001258701917 1129527160 /nfs/dbraw/zinc/52/71/60/1129527160.db2.gz UPVYLZKLKJBIEM-NEPJUHHUSA-N 0 1 252.427 3.790 20 0 CHADMN C[C@@H](NCCCC1CC1)c1nc(Cc2ccccc2)no1 ZINC000743476261 1129527572 /nfs/dbraw/zinc/52/75/72/1129527572.db2.gz HTRDQJKNAXKEFV-CYBMUJFWSA-N 0 1 285.391 3.501 20 0 CHADMN C[C@@H](NCC1(C)CCCC1)c1nc(Cc2ccccc2)no1 ZINC000743475738 1129527605 /nfs/dbraw/zinc/52/76/05/1129527605.db2.gz VLDLSXJNCAENRT-CQSZACIVSA-N 0 1 299.418 3.891 20 0 CHADMN CC1(C)CN(CCc2ccccc2F)[C@H]1c1ccncc1 ZINC000646216403 1129528614 /nfs/dbraw/zinc/52/86/14/1129528614.db2.gz AHJVWNJCCVWNKD-KRWDZBQOSA-N 0 1 284.378 3.846 20 0 CHADMN CC1(C)CN(Cc2conc2Cc2ccccc2)[C@H]1C1CC1 ZINC000646205531 1129528686 /nfs/dbraw/zinc/52/86/86/1129528686.db2.gz MRWKJCKORMQCSL-SFHVURJKSA-N 0 1 296.414 3.886 20 0 CHADMN Cc1cc(C)c(-c2cc3[nH]nnc3cc2F)c(C)c1 ZINC001239550800 1131380939 /nfs/dbraw/zinc/38/09/39/1131380939.db2.gz RLWTYGQZJVKNCJ-UHFFFAOYSA-N 0 1 255.296 3.689 20 0 CHADMN c1ccc(C2=C(c3nc([C@@H]4CCCN4)no3)CCCC2)cc1 ZINC000647144090 1129551665 /nfs/dbraw/zinc/55/16/65/1129551665.db2.gz MECZDJZVJIAJTG-INIZCTEOSA-N 0 1 295.386 3.979 20 0 CHADMN CC(C)(Cc1nc([C@H]2CCCN2)no1)C1CCCCC1 ZINC000647145967 1129551774 /nfs/dbraw/zinc/55/17/74/1129551774.db2.gz JQOKFWGMGQKLDJ-CYBMUJFWSA-N 0 1 277.412 3.643 20 0 CHADMN Cc1cc(C)c(/C=C/c2nc([C@@H]3CCCN3)no2)cc1C ZINC000647152604 1129552805 /nfs/dbraw/zinc/55/28/05/1129552805.db2.gz JFALTYJZYUFCGP-LFAOLKIESA-N 0 1 283.375 3.590 20 0 CHADMN CCCCc1ccc(-c2nc([C@H]3CCCN3)no2)cc1 ZINC000647153712 1129552843 /nfs/dbraw/zinc/55/28/43/1129552843.db2.gz HISGHVYYMGVMHL-CQSZACIVSA-N 0 1 271.364 3.504 20 0 CHADMN CC(C)(C)c1ccc(/C=C/c2nc([C@@H]3CCCN3)no2)cc1 ZINC000647153996 1129552938 /nfs/dbraw/zinc/55/29/38/1129552938.db2.gz QLQYOZMBVZGLAP-SHQCLWGWSA-N 0 1 297.402 3.962 20 0 CHADMN C[C@H](OC(=O)/C=C\C1CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000744125976 1129554237 /nfs/dbraw/zinc/55/42/37/1129554237.db2.gz IDOICCJCSFWTDA-WYDVEAGSSA-N 0 1 290.750 3.787 20 0 CHADMN COc1ccccc1[C@H](N[C@@H]1CO[C@H](C)C1)c1ccccc1 ZINC000647181580 1129555200 /nfs/dbraw/zinc/55/52/00/1129555200.db2.gz IUACMRLJSJXSFH-SIXWZSSISA-N 0 1 297.398 3.552 20 0 CHADMN Cc1c2ccccc2oc1CNCc1ccnn1CC(C)C ZINC000647183536 1129555334 /nfs/dbraw/zinc/55/53/34/1129555334.db2.gz ALJSXUNIGHAZLT-UHFFFAOYSA-N 0 1 297.402 3.884 20 0 CHADMN Cc1ccccc1C1(NCc2cnn(C(C)(C)C)c2)CC1 ZINC000647224728 1129558178 /nfs/dbraw/zinc/55/81/78/1129558178.db2.gz WLBMSRQRJRXNJY-UHFFFAOYSA-N 0 1 283.419 3.725 20 0 CHADMN CCc1nc2ccc(NCc3cn[nH]c3C)cc2s1 ZINC000647239359 1129559899 /nfs/dbraw/zinc/55/98/99/1129559899.db2.gz WMQZXGQRNYXCSR-UHFFFAOYSA-N 0 1 272.377 3.502 20 0 CHADMN OCC[C@@H](NCc1ccc(C2CC2)cc1)c1ccccc1F ZINC000647250218 1129560407 /nfs/dbraw/zinc/56/04/07/1129560407.db2.gz PNVRHYPZHSEDDC-LJQANCHMSA-N 0 1 299.389 3.916 20 0 CHADMN CCOc1ncccc1CN[C@H](CC(C)C)c1ccncc1 ZINC000647282156 1129562997 /nfs/dbraw/zinc/56/29/97/1129562997.db2.gz CQVJSRIXMJJMKE-QGZVFWFLSA-N 0 1 299.418 3.752 20 0 CHADMN Cc1cccc2c1CC[C@@H]2N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647293075 1129564879 /nfs/dbraw/zinc/56/48/79/1129564879.db2.gz RYASNOLWVJKDQQ-KSSFIOAISA-N 0 1 295.430 3.866 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@@H](CCO)c1ccccc1F ZINC000647345112 1129571587 /nfs/dbraw/zinc/57/15/87/1129571587.db2.gz DWCVIFSJRMADAN-KDOFPFPSSA-N 0 1 287.378 3.908 20 0 CHADMN OCC[C@@H](N[C@H]1CCCc2ccccc21)c1ccccc1F ZINC000647345425 1129572562 /nfs/dbraw/zinc/57/25/62/1129572562.db2.gz JEWXKCLHURAZOU-RBUKOAKNSA-N 0 1 299.389 3.916 20 0 CHADMN Cc1ccc(C2(N[C@@H](C)c3cnccn3)CCC2)cc1 ZINC000647351548 1129574231 /nfs/dbraw/zinc/57/42/31/1129574231.db2.gz CGXSVTJRQRAATI-AWEZNQCLSA-N 0 1 267.376 3.515 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1CN1c2cccc3cccc(c23)C1=O ZINC000744444112 1129577630 /nfs/dbraw/zinc/57/76/30/1129577630.db2.gz QXYCEZSLGXSSQC-UKRRQHHQSA-N 0 1 294.398 3.878 20 0 CHADMN CN(C)/C=C/c1ccncc1NCCC1=CCCCC1 ZINC001168774287 1129587441 /nfs/dbraw/zinc/58/74/41/1129587441.db2.gz FIPNYLGUUAMCJV-JLHYYAGUSA-N 0 1 271.408 3.916 20 0 CHADMN Cc1nc(CN(Cc2ccccc2)[C@H](C)C2CC2)co1 ZINC000647959096 1129589068 /nfs/dbraw/zinc/58/90/68/1129589068.db2.gz XUFGSVYKPCNKRJ-CYBMUJFWSA-N 0 1 270.376 3.784 20 0 CHADMN CC[C@H](NCc1cccc(N)c1)c1ccc(F)cc1F ZINC000647970456 1129589835 /nfs/dbraw/zinc/58/98/35/1129589835.db2.gz RBRXNEAHLSOLBP-INIZCTEOSA-N 0 1 276.330 3.788 20 0 CHADMN CCc1nocc1CNC(C)(C)c1cccc(C)c1 ZINC000647970173 1129590299 /nfs/dbraw/zinc/59/02/99/1129590299.db2.gz GGBIDCDPPMBAAP-UHFFFAOYSA-N 0 1 258.365 3.570 20 0 CHADMN COc1ncncc1CN1CCCCC[C@@H]1c1ccccc1 ZINC000648003081 1129591812 /nfs/dbraw/zinc/59/18/12/1129591812.db2.gz GNXLFTCCKJZRSK-QGZVFWFLSA-N 0 1 297.402 3.603 20 0 CHADMN C[C@H]1CN(Cc2coc3ccccc23)CC2(CCC2)O1 ZINC000648074378 1129596771 /nfs/dbraw/zinc/59/67/71/1129596771.db2.gz VLMXVZPRCRQLQZ-ZDUSSCGKSA-N 0 1 271.360 3.576 20 0 CHADMN CCn1cc(CN2CC3(CC=CC3)[C@@H]2c2ccccc2)cn1 ZINC000648074242 1129597337 /nfs/dbraw/zinc/59/73/37/1129597337.db2.gz GDXOMDAMRGJZJS-SFHVURJKSA-N 0 1 293.414 3.796 20 0 CHADMN C[C@@H](CCC(C)(C)C)NC(=O)[C@@H](N)c1cccc(Cl)c1 ZINC000648088175 1129598028 /nfs/dbraw/zinc/59/80/28/1129598028.db2.gz CLCALHIFENCDFU-FZMZJTMJSA-N 0 1 296.842 3.671 20 0 CHADMN Clc1cncc(Cl)c1CN1CC2CCC1CC2 ZINC001137609101 1131384550 /nfs/dbraw/zinc/38/45/50/1131384550.db2.gz GGXGZGMAWZAAPM-UHFFFAOYSA-N 0 1 271.191 3.763 20 0 CHADMN Cc1ccc2nc(-c3c(F)ccc(F)c3F)[nH]c2c1 ZINC000716384915 1129600077 /nfs/dbraw/zinc/60/00/77/1129600077.db2.gz HYCHIBBMWQPQOZ-UHFFFAOYSA-N 0 1 262.234 3.956 20 0 CHADMN COc1ccc(-c2ccc3n[nH]c(C)c3c2)cc1C ZINC001241667929 1129601034 /nfs/dbraw/zinc/60/10/34/1129601034.db2.gz ATNHWXRJYOHPMJ-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN Cc1cnccc1CN1CC(C)(C)[C@@H]1c1ccccc1 ZINC000648363157 1129603923 /nfs/dbraw/zinc/60/39/23/1129603923.db2.gz ACXMVPIVJYDHLW-KRWDZBQOSA-N 0 1 266.388 3.973 20 0 CHADMN Cc1nn(C)cc1[C@@H]1CCCN1Cc1cccc(C)c1F ZINC000648383689 1129604820 /nfs/dbraw/zinc/60/48/20/1129604820.db2.gz ZOWHPJBHYGODAE-INIZCTEOSA-N 0 1 287.382 3.513 20 0 CHADMN Cc1nc2ccc(-c3ccnc(Br)c3)cc2[nH]1 ZINC001241710478 1129605694 /nfs/dbraw/zinc/60/56/94/1129605694.db2.gz YOAKDECBVVOESD-UHFFFAOYSA-N 0 1 288.148 3.696 20 0 CHADMN COc1ncccc1CN[C@@H](c1ccc(C)cc1)C1CC1 ZINC000037650220 1129605976 /nfs/dbraw/zinc/60/59/76/1129605976.db2.gz VNISKQOIMIUBJQ-KRWDZBQOSA-N 0 1 282.387 3.640 20 0 CHADMN Cc1nnc(CN[C@@H]2CC[C@@H](CCC(C)C)C2)s1 ZINC000648509801 1129609651 /nfs/dbraw/zinc/60/96/51/1129609651.db2.gz CHGHBAZQKRYKRS-CHWSQXEVSA-N 0 1 267.442 3.541 20 0 CHADMN c1nc(CCc2ccccc2)sc1CN1CC(C2CC2)C1 ZINC000648592285 1129615456 /nfs/dbraw/zinc/61/54/56/1129615456.db2.gz SJIPNBZONIPXCO-UHFFFAOYSA-N 0 1 298.455 3.770 20 0 CHADMN C[C@@H]1C[C@@H](NCc2n[nH]c3ccccc32)c2ccccc2O1 ZINC000648698735 1129621410 /nfs/dbraw/zinc/62/14/10/1129621410.db2.gz PQCGOPOIQAYAMP-MLGOLLRUSA-N 0 1 293.370 3.565 20 0 CHADMN C[C@@H]1C[C@@H](NCc2[nH]nc3ccccc32)c2ccccc2O1 ZINC000648698735 1129621412 /nfs/dbraw/zinc/62/14/12/1129621412.db2.gz PQCGOPOIQAYAMP-MLGOLLRUSA-N 0 1 293.370 3.565 20 0 CHADMN C[C@@H]1[C@@H](O)CC[N@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000648763581 1129624980 /nfs/dbraw/zinc/62/49/80/1129624980.db2.gz IRUBAMYDYFSSRU-ABAIWWIYSA-N 0 1 291.391 3.509 20 0 CHADMN Oc1ccc(CN2CC(c3cccc(Cl)c3)C2)cc1 ZINC000648771021 1129625405 /nfs/dbraw/zinc/62/54/05/1129625405.db2.gz YEQSTUUYUODVGH-UHFFFAOYSA-N 0 1 273.763 3.645 20 0 CHADMN c1coc([C@H]2N(Cc3[nH]nc4ccccc43)CC23CCC3)c1 ZINC000648801638 1129625980 /nfs/dbraw/zinc/62/59/80/1129625980.db2.gz IKCNGBJISYSBNJ-QGZVFWFLSA-N 0 1 293.370 3.883 20 0 CHADMN FC(F)(F)SCCN1CCC(c2ccccn2)CC1 ZINC000886084401 1129632969 /nfs/dbraw/zinc/63/29/69/1129632969.db2.gz XAEHIAFOAABEPZ-UHFFFAOYSA-N 0 1 290.354 3.514 20 0 CHADMN Fc1cc(Br)cc(CN2CC[C@@H]3CCC[C@H]32)c1 ZINC000378718800 1129634345 /nfs/dbraw/zinc/63/43/45/1129634345.db2.gz BAQKLEJTUCIONE-SMDDNHRTSA-N 0 1 298.199 3.963 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)c1ccccn1)[C@@H]1CCCCO1 ZINC000379179360 1129635920 /nfs/dbraw/zinc/63/59/20/1129635920.db2.gz OMRFKDHGUDGGNE-ZYSHUDEJSA-N 0 1 296.414 3.718 20 0 CHADMN Cc1cc(CNCc2cncnc2)ccc1-c1ccccc1 ZINC000189513153 1129637963 /nfs/dbraw/zinc/63/79/63/1129637963.db2.gz QAZBDUUMJLBAJD-UHFFFAOYSA-N 0 1 289.382 3.742 20 0 CHADMN CCN(CCCC(=O)c1ccccc1)Cc1ccoc1 ZINC000649280570 1129639792 /nfs/dbraw/zinc/63/97/92/1129639792.db2.gz WTZHSCNPWJXUJS-UHFFFAOYSA-N 0 1 271.360 3.765 20 0 CHADMN ClC1(Cl)C[C@@H]1CCN1CCc2ccccc2C1 ZINC000822564805 1131387616 /nfs/dbraw/zinc/38/76/16/1131387616.db2.gz VSWLRQQCUNOMKF-ZDUSSCGKSA-N 0 1 270.203 3.629 20 0 CHADMN CCc1cc(CCCN2CC[C@@H]2c2cccc(F)c2)on1 ZINC000649338747 1129641684 /nfs/dbraw/zinc/64/16/84/1129641684.db2.gz MUKJRJPVERGVIS-QGZVFWFLSA-N 0 1 288.366 3.756 20 0 CHADMN C[C@@H](c1ccc(CN(C)Cc2cn[nH]c2)cc1)C(F)(F)F ZINC000649385700 1129642994 /nfs/dbraw/zinc/64/29/94/1129642994.db2.gz GFFUYJVRYQTOLD-NSHDSACASA-N 0 1 297.324 3.708 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1c2cc[nH]c2c(F)cc1C ZINC001212971801 1129643981 /nfs/dbraw/zinc/64/39/81/1129643981.db2.gz LLLGNSHYDWQQEC-UHFFFAOYSA-N 0 1 294.333 3.845 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1coc(C2CCC2)n1 ZINC000192827993 1129644257 /nfs/dbraw/zinc/64/42/57/1129644257.db2.gz ZCNRVYFFXISEBA-UHFFFAOYSA-N 0 1 292.722 3.553 20 0 CHADMN CO[C@H](C)c1cccc(-c2cc3[nH]ccc3cn2)c1 ZINC001242014772 1129645674 /nfs/dbraw/zinc/64/56/74/1129645674.db2.gz GTOTTXVALJERCY-LLVKDONJSA-N 0 1 252.317 3.937 20 0 CHADMN COCCc1ccc(-c2ccc(CN(C)C)c(F)c2)cc1 ZINC000649438115 1129648536 /nfs/dbraw/zinc/64/85/36/1129648536.db2.gz URTIXASKHGPMEG-UHFFFAOYSA-N 0 1 287.378 3.743 20 0 CHADMN COc1ccccc1-c1ccc(CN(C)C)c(F)c1 ZINC000649437926 1129648558 /nfs/dbraw/zinc/64/85/58/1129648558.db2.gz LMHOKXBBVPJPFO-UHFFFAOYSA-N 0 1 259.324 3.563 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2ccc(COC)o2)cc1 ZINC000382503583 1129648881 /nfs/dbraw/zinc/64/88/81/1129648881.db2.gz NFDCXYPQIDWWKR-CYBMUJFWSA-N 0 1 289.375 3.676 20 0 CHADMN CCSc1ccc(-c2cc(C(F)(F)F)n[nH]2)cn1 ZINC000649445121 1129650552 /nfs/dbraw/zinc/65/05/52/1129650552.db2.gz OMSKDVHLCLXVBD-UHFFFAOYSA-N 0 1 273.283 3.603 20 0 CHADMN CCOc1cc(-n2c(N)nc3ccccc32)ccc1Cl ZINC001212578220 1129652907 /nfs/dbraw/zinc/65/29/07/1129652907.db2.gz SBDKNWUSFUPFHP-UHFFFAOYSA-N 0 1 287.750 3.660 20 0 CHADMN CC(C)[C@H](NCc1cn(C)cn1)c1ccc(Cl)cc1 ZINC000389153777 1129655635 /nfs/dbraw/zinc/65/56/35/1129655635.db2.gz XPLHMYIPEJMNEW-HNNXBMFYSA-N 0 1 277.799 3.560 20 0 CHADMN CCOc1ccc(-c2cccc3nc(C)[nH]c32)cc1 ZINC001239564590 1131388742 /nfs/dbraw/zinc/38/87/42/1131388742.db2.gz KRFFDANMVWHTEM-UHFFFAOYSA-N 0 1 252.317 3.937 20 0 CHADMN Cc1nnsc1CNC(C)(C)c1ccc(C(C)C)cc1 ZINC000649559858 1129658591 /nfs/dbraw/zinc/65/85/91/1129658591.db2.gz VBFAZLRSRHFFKG-UHFFFAOYSA-N 0 1 289.448 3.995 20 0 CHADMN C[C@@H]1CC[C@@H](c2ccccc2)N(Cc2cc3n(n2)CCC3)C1 ZINC000649610576 1129663304 /nfs/dbraw/zinc/66/33/04/1129663304.db2.gz VNIBTTZXCBCVMV-BEFAXECRSA-N 0 1 295.430 3.803 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1cc2n(n1)CCCC2 ZINC000649618207 1129663307 /nfs/dbraw/zinc/66/33/07/1129663307.db2.gz OTHABLGLLXGJCO-UHFFFAOYSA-N 0 1 283.419 3.553 20 0 CHADMN Cc1cc2cc[nH]c2c(NCCCCc2ccccn2)n1 ZINC001168792039 1129665201 /nfs/dbraw/zinc/66/52/01/1129665201.db2.gz OZRSZKWZBDXVDL-UHFFFAOYSA-N 0 1 280.375 3.701 20 0 CHADMN Fc1ccc(CN2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000649709587 1129672767 /nfs/dbraw/zinc/67/27/67/1129672767.db2.gz ROARYPSPVOBMCM-UHFFFAOYSA-N 0 1 291.263 3.692 20 0 CHADMN CC[C@@H]1CN(CCCCC(F)(F)F)[C@H](CC)CO1 ZINC000649718757 1129673175 /nfs/dbraw/zinc/67/31/75/1129673175.db2.gz FYIQCWPEAARVTI-VXGBXAGGSA-N 0 1 267.335 3.608 20 0 CHADMN FC1(F)CC12CCN(Cc1ccc(Cl)cc1)CC2 ZINC000649773132 1129676116 /nfs/dbraw/zinc/67/61/16/1129676116.db2.gz JNQBVJMJKBIBGE-UHFFFAOYSA-N 0 1 271.738 3.961 20 0 CHADMN C[C@H](c1cccnc1)[N@@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000828525153 1131390035 /nfs/dbraw/zinc/39/00/35/1131390035.db2.gz YKWUSIMJXZZDSV-ZYHUDNBSSA-N 0 1 273.207 3.658 20 0 CHADMN Cc1ccc([C@@H](C)Nc2ccc3[nH]cnc3c2C)nc1 ZINC001168855437 1129677227 /nfs/dbraw/zinc/67/72/27/1129677227.db2.gz VPFRFGGNNNHJST-GFCCVEGCSA-N 0 1 266.348 3.748 20 0 CHADMN C[C@H](c1cccnc1)N(C)C[C@@]1(C)CC1(Cl)Cl ZINC000828525153 1131390039 /nfs/dbraw/zinc/39/00/39/1131390039.db2.gz YKWUSIMJXZZDSV-ZYHUDNBSSA-N 0 1 273.207 3.658 20 0 CHADMN Cc1cc(CN2C[C@@H](C)OCC23CCC3)c(C)s1 ZINC000649821932 1129680007 /nfs/dbraw/zinc/68/00/07/1129680007.db2.gz UTTUIWBZYJPNCH-LLVKDONJSA-N 0 1 265.422 3.508 20 0 CHADMN Fc1cccc2c1CN(C[C@@H]1CCCC3(CCC3)O1)CC2 ZINC001168894507 1129680879 /nfs/dbraw/zinc/68/08/79/1129680879.db2.gz RUENIVVWZIZXDD-HNNXBMFYSA-N 0 1 289.394 3.676 20 0 CHADMN CCCCC[C@@H](C)NCc1csc([C@@H](C)OC)n1 ZINC000766529436 1129684104 /nfs/dbraw/zinc/68/41/04/1129684104.db2.gz PRZCSTIDHATRNU-VXGBXAGGSA-N 0 1 270.442 3.909 20 0 CHADMN CCc1cnc(CN2CCc3ccc(F)cc3[C@H](C)C2)o1 ZINC000649894838 1129684133 /nfs/dbraw/zinc/68/41/33/1129684133.db2.gz VVERVQFZAASSFU-GFCCVEGCSA-N 0 1 288.366 3.538 20 0 CHADMN C[C@@H](c1ccncc1)N1CCc2ccc(F)cc2[C@H](C)C1 ZINC000649894365 1129684641 /nfs/dbraw/zinc/68/46/41/1129684641.db2.gz JLOAJNCLRZRNDU-KGLIPLIRSA-N 0 1 284.378 3.944 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CC[C@]2(CC2(F)F)C1 ZINC000649902864 1129685711 /nfs/dbraw/zinc/68/57/11/1129685711.db2.gz GNRCFJLCBLIDOZ-ZANVPECISA-N 0 1 273.273 3.757 20 0 CHADMN CCNc1nc(CN2CC(C)(C)CC(C)(C)C2)cs1 ZINC001169004698 1129688974 /nfs/dbraw/zinc/68/89/74/1129688974.db2.gz NYEWOSIUSQQYBT-UHFFFAOYSA-N 0 1 281.469 3.833 20 0 CHADMN Fc1cc(CN2CCC[C@@H](F)CC2)ccc1Cl ZINC001137649550 1131391814 /nfs/dbraw/zinc/39/18/14/1131391814.db2.gz ICMDHFDMIZZMFJ-LLVKDONJSA-N 0 1 259.727 3.803 20 0 CHADMN CNC(C)(C)c1nc(-c2ccc(C)c(C(F)(F)F)c2)no1 ZINC001206000784 1129703644 /nfs/dbraw/zinc/70/36/44/1129703644.db2.gz YRVRBNJOLYBGIX-UHFFFAOYSA-N 0 1 299.296 3.518 20 0 CHADMN Cc1nc2cc(NCCCc3ccc(C)nc3)ccc2[nH]1 ZINC001169259995 1129713669 /nfs/dbraw/zinc/71/36/69/1129713669.db2.gz XXOUETPFEDRESK-UHFFFAOYSA-N 0 1 280.375 3.619 20 0 CHADMN Cc1ccnc(N[C@H](C2CCC2)C(F)(F)F)c1C ZINC001169283025 1129714498 /nfs/dbraw/zinc/71/44/98/1129714498.db2.gz XMPUZMRVURESSO-LLVKDONJSA-N 0 1 258.287 3.841 20 0 CHADMN Brc1csc(CN2CCCC23CC3)c1 ZINC001204023927 1129718039 /nfs/dbraw/zinc/71/80/39/1129718039.db2.gz QWIBXIBJZPWVCW-UHFFFAOYSA-N 0 1 272.211 3.639 20 0 CHADMN COc1ccccc1CNC(C)(C)c1ccc(F)cc1 ZINC000103173399 1129719102 /nfs/dbraw/zinc/71/91/02/1129719102.db2.gz RJWCCKXLZOQXNJ-UHFFFAOYSA-N 0 1 273.351 3.859 20 0 CHADMN C[C@H]1C[C@H](Nc2ccc3c(n2)NCCO3)c2ccccc21 ZINC001169378251 1129722409 /nfs/dbraw/zinc/72/24/09/1129722409.db2.gz KTKVSDYVWGSVRN-FZMZJTMJSA-N 0 1 281.359 3.546 20 0 CHADMN Cc1cc(-c2cc(N)c(C(F)(F)F)cn2)ccc1N(C)C ZINC001242240835 1129722623 /nfs/dbraw/zinc/72/26/23/1129722623.db2.gz UWSJBNPQYGRTPN-UHFFFAOYSA-N 0 1 295.308 3.724 20 0 CHADMN CC(C)CCCCCC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000766691773 1129725727 /nfs/dbraw/zinc/72/57/27/1129725727.db2.gz LGABBHZUEDHIGB-CQSZACIVSA-N 0 1 277.412 3.510 20 0 CHADMN Cc1cc(CN[C@@H]2CC[C@H](C)c3ccsc32)ncn1 ZINC000651280097 1129735871 /nfs/dbraw/zinc/73/58/71/1129735871.db2.gz JGPXERZXFOEXOP-IINYFYTJSA-N 0 1 273.405 3.575 20 0 CHADMN C[C@H](NCc1ccc(OC(C)(C)C)cc1)c1ccncn1 ZINC000651291877 1129736602 /nfs/dbraw/zinc/73/66/02/1129736602.db2.gz ABGRKQTXVJOTNH-ZDUSSCGKSA-N 0 1 285.391 3.505 20 0 CHADMN COC[C@H](CC(C)(C)C)N[C@@H](C)c1ncc(C)s1 ZINC000651729449 1129746175 /nfs/dbraw/zinc/74/61/75/1129746175.db2.gz FPPJODMTQBYTLF-RYUDHWBXSA-N 0 1 270.442 3.553 20 0 CHADMN COc1ccc(CNC(C)(C)CC(F)(F)F)c(F)c1 ZINC000651779938 1129747479 /nfs/dbraw/zinc/74/74/79/1129747479.db2.gz VUMFBWYADGVFGX-UHFFFAOYSA-N 0 1 279.277 3.655 20 0 CHADMN Fc1ccc2c(c1Cl)[C@@H](NCCOC(F)(F)F)CC2 ZINC000651783889 1129747661 /nfs/dbraw/zinc/74/76/61/1129747661.db2.gz UNCBGSGAGMIXDM-VIFPVBQESA-N 0 1 297.679 3.592 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H](C)[C@@H](F)C2)c2ccccn21 ZINC000651755163 1129747747 /nfs/dbraw/zinc/74/77/47/1129747747.db2.gz CEGYOFPVAGLSIE-KGLIPLIRSA-N 0 1 289.398 3.638 20 0 CHADMN c1cc2c(c(CNCc3ccc4c(n3)CCCC4)c1)CCC2 ZINC000651786896 1129748587 /nfs/dbraw/zinc/74/85/87/1129748587.db2.gz WZKJSVIWHJGLLM-UHFFFAOYSA-N 0 1 292.426 3.739 20 0 CHADMN CC[C@@]1(C)CCC[C@@H]1NCc1noc(-c2cccs2)n1 ZINC000651822975 1129750034 /nfs/dbraw/zinc/75/00/34/1129750034.db2.gz QVRSIBXGHXNLNQ-WFASDCNBSA-N 0 1 291.420 3.857 20 0 CHADMN Fc1cc(Cl)ccc1CN1CC2CCC1CC2 ZINC001137661021 1131395173 /nfs/dbraw/zinc/39/51/73/1131395173.db2.gz FDRGMDMWOLLGSV-UHFFFAOYSA-N 0 1 253.748 3.854 20 0 CHADMN Cc1cn[nH]c1CN1CCc2oc(-c3ccccc3)cc2C1 ZINC000651878827 1129751289 /nfs/dbraw/zinc/75/12/89/1129751289.db2.gz DONGRVBILIMRCM-UHFFFAOYSA-N 0 1 293.370 3.536 20 0 CHADMN C[C@H](O)[C@H](N[C@@H](C)c1ccccc1)c1ccccc1F ZINC000651892664 1129751625 /nfs/dbraw/zinc/75/16/25/1129751625.db2.gz GKKNTJAXZAZDCE-DCGLDWPTSA-N 0 1 273.351 3.598 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3nc(C)ccc3c2)[C@@H](C)CO1 ZINC000651932042 1129752208 /nfs/dbraw/zinc/75/22/08/1129752208.db2.gz JWTFLBHAXCBCCS-WMLDXEAASA-N 0 1 284.403 3.543 20 0 CHADMN CC(C)Cc1ncc(CN2CC[C@@]3(CC3(F)F)C2)s1 ZINC000652062992 1129757750 /nfs/dbraw/zinc/75/77/50/1129757750.db2.gz AOYNFBVOVFVJHC-CYBMUJFWSA-N 0 1 286.391 3.573 20 0 CHADMN Fc1cc2[nH]cnc2cc1N[C@@H]1C[C@H]1c1ccccc1 ZINC001169816055 1129759561 /nfs/dbraw/zinc/75/95/61/1129759561.db2.gz GIHAJVXUABXLRU-WCQYABFASA-N 0 1 267.307 3.670 20 0 CHADMN CCC(C)=CC(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 ZINC000822729770 1131396274 /nfs/dbraw/zinc/39/62/74/1131396274.db2.gz AFGUKHIMJJPNJT-LUAWRHEFSA-N 0 1 283.375 3.988 20 0 CHADMN Cc1ccccc1C1(N[C@@H](C)c2cc3n(n2)CCC3)CCC1 ZINC000652217277 1129759841 /nfs/dbraw/zinc/75/98/41/1129759841.db2.gz SUNNZFNXJYMJSV-HNNXBMFYSA-N 0 1 295.430 3.868 20 0 CHADMN CC[C@H](OCCN[C@@H](C)c1nccnc1C)c1ccccc1 ZINC000652236098 1129760936 /nfs/dbraw/zinc/76/09/36/1129760936.db2.gz CWGUDELQKYYRQZ-RDJZCZTQSA-N 0 1 299.418 3.604 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000652415410 1129764663 /nfs/dbraw/zinc/76/46/63/1129764663.db2.gz PSTRCSQEPAGFPG-MRXNPFEDSA-N 0 1 273.376 3.539 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C/C=C/c1ccc(Cl)cc1 ZINC000652485059 1129765550 /nfs/dbraw/zinc/76/55/50/1129765550.db2.gz PODGEISWINMRIZ-RGDDUWESSA-N 0 1 295.810 3.784 20 0 CHADMN CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CCCCCC(=O)[O-])C1 ZINC000652451518 1129765634 /nfs/dbraw/zinc/76/56/34/1129765634.db2.gz ZTAIODNJNSBBBE-CABCVRRESA-N 0 1 281.440 3.780 20 0 CHADMN CC[C@H](NC[C@@]1(C)CC1(Cl)Cl)c1nccs1 ZINC000828802590 1131401346 /nfs/dbraw/zinc/40/13/46/1131401346.db2.gz DOYFFTANDMDUQS-WCBMZHEXSA-N 0 1 279.236 3.768 20 0 CHADMN Fc1ccc(SCCN2CCC(F)(F)CC2)cc1 ZINC000796542437 1129777143 /nfs/dbraw/zinc/77/71/43/1129777143.db2.gz GCMOKOUQZOVNCR-UHFFFAOYSA-N 0 1 275.339 3.649 20 0 CHADMN Cc1cc(CNC2(c3ccc(F)cc3)CC2)c(C)o1 ZINC000767353457 1129787082 /nfs/dbraw/zinc/78/70/82/1129787082.db2.gz RMJCZAHDEMFLDT-UHFFFAOYSA-N 0 1 259.324 3.814 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2)[C@H]2CCCO2)c(C)o1 ZINC000767364878 1129789233 /nfs/dbraw/zinc/78/92/33/1129789233.db2.gz VONDPQOOWKFQJM-QZTJIDSGSA-N 0 1 285.387 3.906 20 0 CHADMN COc1cccc2c1CC[C@H]2NCc1cc(C)oc1C ZINC000767373567 1129789607 /nfs/dbraw/zinc/78/96/07/1129789607.db2.gz ROFCBXPVEGBTCV-MRXNPFEDSA-N 0 1 271.360 3.682 20 0 CHADMN Oc1c(F)cccc1-c1ncc(F)c2ccccc21 ZINC001242349878 1129790627 /nfs/dbraw/zinc/79/06/27/1129790627.db2.gz WSTMTKDPDVMWBC-UHFFFAOYSA-N 0 1 257.239 3.886 20 0 CHADMN COc1ccc(C(C)C)cc1C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000653775198 1129794644 /nfs/dbraw/zinc/79/46/44/1129794644.db2.gz QOGHNYGVOMGXDQ-QGZVFWFLSA-N 0 1 291.435 3.818 20 0 CHADMN CC(C)C[C@@H](C)N[C@H](Cc1ccccc1)c1ncco1 ZINC000653911764 1129801081 /nfs/dbraw/zinc/80/10/81/1129801081.db2.gz AAUMNHIPAAFLTM-GDBMZVCRSA-N 0 1 272.392 3.983 20 0 CHADMN CCCCCC[C@@H](C)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000742064003 1129808343 /nfs/dbraw/zinc/80/83/43/1129808343.db2.gz OXFBNJNOULEWMV-LLVKDONJSA-N 0 1 290.367 3.610 20 0 CHADMN CCOC(CN(CC)Cc1cc2ccccc2o1)OCC ZINC000767793033 1129815074 /nfs/dbraw/zinc/81/50/74/1129815074.db2.gz ORCMKVRHLSFMLO-UHFFFAOYSA-N 0 1 291.391 3.654 20 0 CHADMN CCOC(CN[C@@H](C)c1ccccc1OC(C)C)OCC ZINC000767817571 1129816263 /nfs/dbraw/zinc/81/62/63/1129816263.db2.gz TUWAMSDTFFLOLK-AWEZNQCLSA-N 0 1 295.423 3.524 20 0 CHADMN Cc1nn(C)c(Cl)c1CN1CC(C)(C)CC(C)(C)C1 ZINC000767914727 1129819315 /nfs/dbraw/zinc/81/93/15/1129819315.db2.gz DCQWKUAYGIYRSL-UHFFFAOYSA-N 0 1 283.847 3.640 20 0 CHADMN C[C@@H](NC[C@H](O)c1ccc2ccccc2c1)c1cscn1 ZINC000768105241 1129832000 /nfs/dbraw/zinc/83/20/00/1129832000.db2.gz KQVJCLGIWOKLMZ-PXAZEXFGSA-N 0 1 298.411 3.681 20 0 CHADMN Cc1csc(CNCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000380681891 1129832388 /nfs/dbraw/zinc/83/23/88/1129832388.db2.gz CKSGDRQUKWUXAS-UHFFFAOYSA-N 0 1 296.779 3.908 20 0 CHADMN CCCN(CCC)Cc1occc1Br ZINC000768138505 1129834738 /nfs/dbraw/zinc/83/47/38/1129834738.db2.gz YAQSVJKZWVKFMI-UHFFFAOYSA-N 0 1 260.175 3.664 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000381291764 1129836604 /nfs/dbraw/zinc/83/66/04/1129836604.db2.gz NTADEBITRZAHEM-LLVKDONJSA-N 0 1 276.361 3.816 20 0 CHADMN COCc1ccc(CN2Cc3ccccc3[C@@H](C)C2)o1 ZINC000768195038 1129842640 /nfs/dbraw/zinc/84/26/40/1129842640.db2.gz JIXJDXFMMKAKJB-ZDUSSCGKSA-N 0 1 271.360 3.545 20 0 CHADMN Cc1cc(Cl)nc(CN[C@H]2CCc3ccc(F)cc32)c1 ZINC000283537823 1129847739 /nfs/dbraw/zinc/84/77/39/1129847739.db2.gz OETSCICMFVPHNP-HNNXBMFYSA-N 0 1 290.769 3.960 20 0 CHADMN CC(C)[C@@H](C)N(C)Cc1occc1Br ZINC000768268858 1129848321 /nfs/dbraw/zinc/84/83/21/1129848321.db2.gz JIESXEGJANLKOI-SECBINFHSA-N 0 1 260.175 3.518 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccccn2)c(C)o1 ZINC000768361857 1129853761 /nfs/dbraw/zinc/85/37/61/1129853761.db2.gz XPAFNDMPUQSEJO-MRXNPFEDSA-N 0 1 256.349 3.629 20 0 CHADMN Cc1cc(Cl)nc(CNCc2cccc3[nH]ccc32)c1 ZINC000800286166 1129863711 /nfs/dbraw/zinc/86/37/11/1129863711.db2.gz XEUOKHGNKLRLHD-UHFFFAOYSA-N 0 1 285.778 3.815 20 0 CHADMN CCCC[C@H](C)C(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000800402483 1129870216 /nfs/dbraw/zinc/87/02/16/1129870216.db2.gz ZNTRGDKQASKDOS-GJZGRUSLSA-N 0 1 293.407 3.614 20 0 CHADMN CCCC[C@H](C)C(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000800402483 1129870220 /nfs/dbraw/zinc/87/02/20/1129870220.db2.gz ZNTRGDKQASKDOS-GJZGRUSLSA-N 0 1 293.407 3.614 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@H](F)c3ccccc3)cc2[nH]1 ZINC000768987229 1129884740 /nfs/dbraw/zinc/88/47/40/1129884740.db2.gz GZTCYLKJDPBTDL-OAHLLOKOSA-N 0 1 283.306 3.521 20 0 CHADMN CN(CCc1ccccc1F)Cc1ccc(Cl)o1 ZINC000769030957 1129886668 /nfs/dbraw/zinc/88/66/68/1129886668.db2.gz YXXLNWCTJFMBJB-UHFFFAOYSA-N 0 1 267.731 3.747 20 0 CHADMN COc1cccc2cc(CN(C)Cc3ccoc3)oc21 ZINC000769005184 1129888751 /nfs/dbraw/zinc/88/87/51/1129888751.db2.gz OIXNQPQLCVKIJW-UHFFFAOYSA-N 0 1 271.316 3.666 20 0 CHADMN Brc1ccoc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000769102517 1129890364 /nfs/dbraw/zinc/89/03/64/1129890364.db2.gz OKDDZUOYELILNP-JQWIXIFHSA-N 0 1 284.197 3.807 20 0 CHADMN CC(C)SCCSc1nc(-c2ccccc2F)n[nH]1 ZINC000800829568 1129892000 /nfs/dbraw/zinc/89/20/00/1129892000.db2.gz NKRLEPZPLGFLTC-UHFFFAOYSA-N 0 1 297.424 3.845 20 0 CHADMN C[C@H]1CCCN(Cc2occc2Br)[C@H]1C ZINC000769224774 1129896433 /nfs/dbraw/zinc/89/64/33/1129896433.db2.gz YIXAHRKLVPPPAB-UWVGGRQHSA-N 0 1 272.186 3.663 20 0 CHADMN Clc1ccc2[nH]cc(CN3CCC[C@]4(CCO4)C3)c2c1 ZINC001137714863 1131406092 /nfs/dbraw/zinc/40/60/92/1131406092.db2.gz YCLRHLXJHDCSGX-INIZCTEOSA-N 0 1 290.794 3.576 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)[nH]1 ZINC000900958656 1129905675 /nfs/dbraw/zinc/90/56/75/1129905675.db2.gz KSWMELWXXQBWKP-UHFFFAOYSA-N 0 1 299.374 3.508 20 0 CHADMN Brc1ccoc1CN1CCC2(CCCC2)C1 ZINC000769394144 1129908792 /nfs/dbraw/zinc/90/87/92/1129908792.db2.gz JBVFKEKTEVQBKT-UHFFFAOYSA-N 0 1 284.197 3.808 20 0 CHADMN C[C@@H]1c2ccccc2CN1Cc1ccc2c(c1)COC2 ZINC000769450533 1129910932 /nfs/dbraw/zinc/91/09/32/1129910932.db2.gz DYERWWYJDYYYSM-CYBMUJFWSA-N 0 1 265.356 3.794 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)[C@@H](C)C2)cnc1Cl ZINC000769451352 1129911250 /nfs/dbraw/zinc/91/12/50/1129911250.db2.gz LPAVINYIXCJXLF-PWSUYJOCSA-N 0 1 252.789 3.521 20 0 CHADMN Cc1cc(CN2CCS[C@@H]3CCCC[C@H]32)cnc1Cl ZINC000769497960 1129913748 /nfs/dbraw/zinc/91/37/48/1129913748.db2.gz HWQPVCXZIXLPCQ-ZIAGYGMSSA-N 0 1 296.867 3.903 20 0 CHADMN CC[C@@]1(C)CCN(Cc2c(Cl)nc3ccccn32)C1 ZINC000769519277 1129915408 /nfs/dbraw/zinc/91/54/08/1129915408.db2.gz OXRDBORAEORNOP-HNNXBMFYSA-N 0 1 277.799 3.610 20 0 CHADMN CC[C@@]1(C)CCN(Cc2cnc(Cl)c(C)c2)C1 ZINC000769518761 1129915850 /nfs/dbraw/zinc/91/58/50/1129915850.db2.gz BZGDKKYHTOYNSZ-AWEZNQCLSA-N 0 1 252.789 3.665 20 0 CHADMN Cc1ccc(N(C)C(=O)c2c(O)cccc2Cl)cc1C ZINC000769714655 1129921619 /nfs/dbraw/zinc/92/16/19/1129921619.db2.gz KWNGDILGIIOASP-UHFFFAOYSA-N 0 1 289.762 3.939 20 0 CHADMN CC(C)(C)[C@H](N)c1cc(-c2ccc(-n3cccn3)cc2)no1 ZINC000901403623 1129921721 /nfs/dbraw/zinc/92/17/21/1129921721.db2.gz AZENZMZFJRRURW-MRXNPFEDSA-N 0 1 296.374 3.573 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000901415911 1129922907 /nfs/dbraw/zinc/92/29/07/1129922907.db2.gz CEVLIHUDHKVUBF-AWEZNQCLSA-N 0 1 298.386 3.698 20 0 CHADMN CC[N@H+](CC(=O)[O-])C[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000901426409 1129924572 /nfs/dbraw/zinc/92/45/72/1129924572.db2.gz IPVAVTHXESNSQR-CQSZACIVSA-N 0 1 291.435 3.569 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1cccc(C)c1 ZINC000769867618 1129926588 /nfs/dbraw/zinc/92/65/88/1129926588.db2.gz LMBURHXPROKVFV-GFCCVEGCSA-N 0 1 258.365 3.705 20 0 CHADMN Cc1ccc([C@@H](C)C[N@@H+]2CC[C@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000901469778 1129927251 /nfs/dbraw/zinc/92/72/51/1129927251.db2.gz WHUGKTOZTYRJOL-MAUKXSAKSA-N 0 1 289.419 3.531 20 0 CHADMN C/C(=C/c1ccccc1)C[N@@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000901463882 1129927731 /nfs/dbraw/zinc/92/77/31/1129927731.db2.gz AWNWGFOTMYTGCI-RXBGNRNISA-N 0 1 287.403 3.523 20 0 CHADMN CCCCCC[C@H](C)NC(=O)CN[C@H](C)c1ccsc1 ZINC000801569978 1129928192 /nfs/dbraw/zinc/92/81/92/1129928192.db2.gz HQSPOZSLWOBBMU-UONOGXRCSA-N 0 1 296.480 3.874 20 0 CHADMN CCCCCC[C@@H](C)NC(=O)CN[C@H](C)c1ccsc1 ZINC000801569979 1129928242 /nfs/dbraw/zinc/92/82/42/1129928242.db2.gz HQSPOZSLWOBBMU-ZIAGYGMSSA-N 0 1 296.480 3.874 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1ccc(C)c(OC)c1 ZINC000769876247 1129930104 /nfs/dbraw/zinc/93/01/04/1129930104.db2.gz ZXQLUUGCMPBXSQ-LBPRGKRZSA-N 0 1 288.391 3.713 20 0 CHADMN Cc1ccc([C@@H](O)CN2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC000801588505 1129930290 /nfs/dbraw/zinc/93/02/90/1129930290.db2.gz QQKALQCQKVKQOY-OALUTQOASA-N 0 1 299.389 3.599 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2c(C)onc2CC)cc1 ZINC000769874353 1129930343 /nfs/dbraw/zinc/93/03/43/1129930343.db2.gz JSTJUBYMJLKYPA-LBPRGKRZSA-N 0 1 288.391 3.795 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1ccccc1CC ZINC000769878163 1129930845 /nfs/dbraw/zinc/93/08/45/1129930845.db2.gz VWTQPWUGEJOACV-LBPRGKRZSA-N 0 1 272.392 3.959 20 0 CHADMN O=C([O-])[C@]1(F)CC[N@@H+](CC2CCC3(CCCCC3)CC2)C1 ZINC000901518501 1129933501 /nfs/dbraw/zinc/93/35/01/1129933501.db2.gz LMKGEWSDJXYPQI-KRWDZBQOSA-N 0 1 297.414 3.626 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1C[C@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000901526593 1129934039 /nfs/dbraw/zinc/93/40/39/1129934039.db2.gz WYNSNPKRKHWIEQ-UXLLHSPISA-N 0 1 281.440 3.780 20 0 CHADMN Cc1cc(Cl)ncc1NC(=O)c1c(O)cccc1Cl ZINC000770024963 1129936773 /nfs/dbraw/zinc/93/67/73/1129936773.db2.gz JMDKLGXKYCLUTJ-UHFFFAOYSA-N 0 1 297.141 3.655 20 0 CHADMN CCCC1CCC(C[N@H+](CC(=O)[O-])CC(C)C)CC1 ZINC000901589181 1129938163 /nfs/dbraw/zinc/93/81/63/1129938163.db2.gz JYSXZPMHQUFFMB-UHFFFAOYSA-N 0 1 269.429 3.636 20 0 CHADMN O=C([O-])[C@@H]([NH2+]Cc1ccccc1C1CC1)c1cccs1 ZINC000901598312 1129938602 /nfs/dbraw/zinc/93/86/02/1129938602.db2.gz NETGDXAFPSABLH-HNNXBMFYSA-N 0 1 287.384 3.541 20 0 CHADMN CCc1nc([C@H](C)S[C@@H](COC)c2ccccc2)n[nH]1 ZINC000901665974 1129942501 /nfs/dbraw/zinc/94/25/01/1129942501.db2.gz AZTYWSCXYKBHKM-AAEUAGOBSA-N 0 1 291.420 3.549 20 0 CHADMN CCCCn1nc(C)c(CN2CC[C@@H](C)[C@@H]2C)c1Cl ZINC000770283757 1129942883 /nfs/dbraw/zinc/94/28/83/1129942883.db2.gz LAPWPWNZJHTHCN-YPMHNXCESA-N 0 1 283.847 3.875 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)/C=C\C3CCCCC3)ccc12 ZINC000770258004 1129943942 /nfs/dbraw/zinc/94/39/42/1129943942.db2.gz NAPQECQIXGIZME-YFHOEESVSA-N 0 1 283.375 3.946 20 0 CHADMN CCc1cccc(Cl)c1C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000901701784 1129945645 /nfs/dbraw/zinc/94/56/45/1129945645.db2.gz XDPSCAMWWBAOCK-MRXNPFEDSA-N 0 1 295.810 3.589 20 0 CHADMN CC(=CC(=O)Nc1c(C)n[nH]c1C(F)F)c1ccccc1 ZINC000770465232 1129948372 /nfs/dbraw/zinc/94/83/72/1129948372.db2.gz SLEIEXSWCZZHCO-HJWRWDBZSA-N 0 1 291.301 3.698 20 0 CHADMN CC1=C[C@@H](C)C[C@@H](C[N@H+]2CCc3cccc(C(=O)[O-])c3C2)C1 ZINC000901779923 1129952342 /nfs/dbraw/zinc/95/23/42/1129952342.db2.gz VNCOBPGPBYRNKJ-UKRRQHHQSA-N 0 1 299.414 3.735 20 0 CHADMN CCc1ccc(CNc2ccc(CN(C)C)c(F)c2)o1 ZINC000770602535 1129953335 /nfs/dbraw/zinc/95/33/35/1129953335.db2.gz RTDWPJWPNHJUBT-UHFFFAOYSA-N 0 1 276.355 3.655 20 0 CHADMN O=C(CN1CCCC2(CC2)C1)Nc1ccc2ccccc2c1 ZINC000770698987 1129956073 /nfs/dbraw/zinc/95/60/73/1129956073.db2.gz FHAYWGWMHHMVKH-UHFFFAOYSA-N 0 1 294.398 3.654 20 0 CHADMN Cc1nc[nH]c1C(=O)Nc1ccccc1Nc1ccccc1 ZINC001137734169 1131410499 /nfs/dbraw/zinc/41/04/99/1131410499.db2.gz MIRAKOYZWVINAA-UHFFFAOYSA-N 0 1 292.342 3.714 20 0 CHADMN Cc1cnc(C(C)(C)NCCSC(C)(C)C)s1 ZINC000801941191 1129962026 /nfs/dbraw/zinc/96/20/26/1129962026.db2.gz JUUBCOCPJBYFQM-UHFFFAOYSA-N 0 1 272.483 3.808 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1CCSC[C@@H](C(=O)[O-])C1 ZINC000901890380 1129964908 /nfs/dbraw/zinc/96/49/08/1129964908.db2.gz HYISTFALYVSWSK-GJZGRUSLSA-N 0 1 299.480 3.509 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000901916990 1129966225 /nfs/dbraw/zinc/96/62/25/1129966225.db2.gz DZEUALRZGPNCRD-OVWQWFNUSA-N 0 1 291.435 3.556 20 0 CHADMN CCC[C@H](C[N@@H+](CCC(=O)[O-])C1CC1)c1ccccc1 ZINC000901970906 1129968659 /nfs/dbraw/zinc/96/86/59/1129968659.db2.gz DZEMKRUPAMWVRV-OAHLLOKOSA-N 0 1 275.392 3.509 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000901977997 1129968891 /nfs/dbraw/zinc/96/88/91/1129968891.db2.gz CQIDQNQILLPCKV-AEFFLSMTSA-N 0 1 289.419 3.682 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccc(F)c2ccccc12 ZINC000901979389 1129969412 /nfs/dbraw/zinc/96/94/12/1129969412.db2.gz TZKHYSMGRQNXQB-UHFFFAOYSA-N 0 1 289.350 3.664 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cccc(CC2CCC2)c1 ZINC000901984899 1129969565 /nfs/dbraw/zinc/96/95/65/1129969565.db2.gz MFPXZPUIQUMLJK-CQSZACIVSA-N 0 1 289.419 3.714 20 0 CHADMN Cc1cc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])ccc1Cl ZINC000901995613 1129970698 /nfs/dbraw/zinc/97/06/98/1129970698.db2.gz AQRPLJVRRVTCSJ-CQSZACIVSA-N 0 1 295.810 3.868 20 0 CHADMN CCCC[C@@H](CC)CC[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000902008133 1129970773 /nfs/dbraw/zinc/97/07/73/1129970773.db2.gz TUGOMLBVQGTJDV-ZIAGYGMSSA-N 0 1 255.402 3.532 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1cccc(C2CCCC2)c1 ZINC000902006422 1129971303 /nfs/dbraw/zinc/97/13/03/1129971303.db2.gz GLDRSNNKYIRLRH-KRWDZBQOSA-N 0 1 287.403 3.783 20 0 CHADMN CCn1cnc(CN[C@H](c2ccc(F)cc2)C(C)C)c1 ZINC000902044161 1129974240 /nfs/dbraw/zinc/97/42/40/1129974240.db2.gz XITULTYKQDOLSO-INIZCTEOSA-N 0 1 275.371 3.529 20 0 CHADMN CCC[C@H](C)C[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000902047706 1129974549 /nfs/dbraw/zinc/97/45/49/1129974549.db2.gz QWUVLGYLGFPMRI-CWRNSKLLSA-N 0 1 275.392 3.713 20 0 CHADMN CC[C@H](NCc1cn(CC)cn1)c1ccc(Cl)cc1 ZINC000902054144 1129975055 /nfs/dbraw/zinc/97/50/55/1129975055.db2.gz RWBBKBWFXWAWMY-HNNXBMFYSA-N 0 1 277.799 3.797 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2CCCc3nc(C)ncc32)c(C)n1 ZINC000771391546 1129979163 /nfs/dbraw/zinc/97/91/63/1129979163.db2.gz RUWXYTAAEVJHCG-GUYCJALGSA-N 0 1 296.418 3.525 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Cl)nc2)CC12CCC2 ZINC000771462558 1129980920 /nfs/dbraw/zinc/98/09/20/1129980920.db2.gz IWSFFYADCBBTPT-GFCCVEGCSA-N 0 1 264.800 3.747 20 0 CHADMN CCn1ccnc1NCc1ccc(C(F)F)c(F)c1 ZINC000902113715 1129981333 /nfs/dbraw/zinc/98/13/33/1129981333.db2.gz IYOCAEMFEMHWHL-UHFFFAOYSA-N 0 1 269.270 3.592 20 0 CHADMN C[C@H]1CCN(Cc2cccc(Cl)n2)CC12CCC2 ZINC000771465357 1129983066 /nfs/dbraw/zinc/98/30/66/1129983066.db2.gz UGURJUJLSUJUNQ-LBPRGKRZSA-N 0 1 264.800 3.747 20 0 CHADMN CCn1cnc(CN[C@H](c2ccc(F)cc2)C(C)(C)C)c1 ZINC000902133716 1129983440 /nfs/dbraw/zinc/98/34/40/1129983440.db2.gz UHAUWQJEOPHDIJ-MRXNPFEDSA-N 0 1 289.398 3.919 20 0 CHADMN CNc1ccccc1CNC(C)(C)c1ccccc1OC ZINC000902181457 1129986065 /nfs/dbraw/zinc/98/60/65/1129986065.db2.gz ACNZYNNZUIIHEI-UHFFFAOYSA-N 0 1 284.403 3.762 20 0 CHADMN CC(C)(CC[N@H+](Cc1ccccc1)CC1CCC1)C(=O)[O-] ZINC000902177930 1129986181 /nfs/dbraw/zinc/98/61/81/1129986181.db2.gz BHMPABQENQRGPO-UHFFFAOYSA-N 0 1 289.419 3.790 20 0 CHADMN CCC(=CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C)CC ZINC000771670033 1129986982 /nfs/dbraw/zinc/98/69/82/1129986982.db2.gz UKRHPSXVUDHKAV-UHFFFAOYSA-N 0 1 287.363 3.971 20 0 CHADMN CCC[C@H](NCc1ccccc1NC)c1ccccn1 ZINC000902194874 1129987052 /nfs/dbraw/zinc/98/70/52/1129987052.db2.gz KANQXBFLDRXBEK-INIZCTEOSA-N 0 1 269.392 3.754 20 0 CHADMN CCc1cccc2c1OCC[C@H]2NCc1ccccc1NC ZINC000902204532 1129988396 /nfs/dbraw/zinc/98/83/96/1129988396.db2.gz HILVGYJYBVZKGC-GOSISDBHSA-N 0 1 296.414 3.904 20 0 CHADMN CCc1cccc2c1OCC[C@@H]2NCc1ccccc1NC ZINC000902204536 1129988674 /nfs/dbraw/zinc/98/86/74/1129988674.db2.gz HILVGYJYBVZKGC-SFHVURJKSA-N 0 1 296.414 3.904 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)oc1C(=O)[O-] ZINC000902238788 1129992486 /nfs/dbraw/zinc/99/24/86/1129992486.db2.gz PDCRFZQKSWLTRV-OAHLLOKOSA-N 0 1 299.370 3.666 20 0 CHADMN CNc1ccc(C)cc1CN[C@H](C)c1cnn(C(C)C)c1 ZINC000902236118 1129992721 /nfs/dbraw/zinc/99/27/21/1129992721.db2.gz UCZVPJKYYRWQIU-CQSZACIVSA-N 0 1 286.423 3.665 20 0 CHADMN Cc1cn[nH]c1CSCc1nc(C(F)(F)F)cs1 ZINC000902350494 1130002301 /nfs/dbraw/zinc/00/23/01/1130002301.db2.gz VHZRZEKLIDAESO-UHFFFAOYSA-N 0 1 293.339 3.627 20 0 CHADMN CC[C@H](NCc1ccccc1NC)c1c(C)noc1C ZINC000902415799 1130008462 /nfs/dbraw/zinc/00/84/62/1130008462.db2.gz JWLQECXGJAEQGF-AWEZNQCLSA-N 0 1 273.380 3.574 20 0 CHADMN Cc1cn[nH]c1CSC[C@@H]1CCCCC1(F)F ZINC000902423214 1130009798 /nfs/dbraw/zinc/00/97/98/1130009798.db2.gz QEVVYVSQZFTLRA-JTQLQIEISA-N 0 1 260.353 3.777 20 0 CHADMN C[C@@H]1CC[N@@H+](CCC(C)(C)C(=O)[O-])CC12CCCCC2 ZINC000902438588 1130011460 /nfs/dbraw/zinc/01/14/60/1130011460.db2.gz PLVROESOWMWDHK-CQSZACIVSA-N 0 1 281.440 3.780 20 0 CHADMN CCc1oc(C[N@H+]2CCC[C@H](C3CCC3)C2)cc1C(=O)[O-] ZINC000902460593 1130013536 /nfs/dbraw/zinc/01/35/36/1130013536.db2.gz ZZIVLWDDOLXENH-ZDUSSCGKSA-N 0 1 291.391 3.552 20 0 CHADMN CC1(C)CC[N@H+]1Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902525079 1130019347 /nfs/dbraw/zinc/01/93/47/1130019347.db2.gz QNFUVZJRDMSHDR-UHFFFAOYSA-N 0 1 285.343 3.629 20 0 CHADMN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000902523430 1130019623 /nfs/dbraw/zinc/01/96/23/1130019623.db2.gz KCOVFYRHXYENOZ-OCCSQVGLSA-N 0 1 293.382 3.504 20 0 CHADMN CCc1oc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC000902517686 1130020099 /nfs/dbraw/zinc/02/00/99/1130020099.db2.gz HBSDFPKFGQQTAX-JMSVASOKSA-N 0 1 291.391 3.693 20 0 CHADMN CCC(CC)[C@H](N[C@@H](C)c1cn(C)nn1)c1ccccc1 ZINC000902758575 1130052814 /nfs/dbraw/zinc/05/28/14/1130052814.db2.gz HYTQTBQDXNCBKO-GUYCJALGSA-N 0 1 286.423 3.643 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@H]1c1ccccc1Cl)C(=O)[O-] ZINC000902524453 1130020385 /nfs/dbraw/zinc/02/03/85/1130020385.db2.gz QYYQTXCWDIRKGB-AWEZNQCLSA-N 0 1 295.810 3.978 20 0 CHADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902531519 1130021776 /nfs/dbraw/zinc/02/17/76/1130021776.db2.gz UXPLXEVVUZEWLR-QWHCGFSZSA-N 0 1 298.386 3.553 20 0 CHADMN O=C([O-])/C=C/c1ccc(C[N@H+]2CCCC23CCCCC3)o1 ZINC000902542884 1130022649 /nfs/dbraw/zinc/02/26/49/1130022649.db2.gz KHKUEUOIZWLLAZ-BQYQJAHWSA-N 0 1 289.375 3.676 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000902543245 1130022957 /nfs/dbraw/zinc/02/29/57/1130022957.db2.gz QZOMXCICQFRVOU-PBFPGSCMSA-N 0 1 299.370 3.744 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000902540874 1130023046 /nfs/dbraw/zinc/02/30/46/1130023046.db2.gz GUTVQUJQMFAWAE-YCPHGPKFSA-N 0 1 289.419 3.754 20 0 CHADMN C[C@H](CNc1ccccc1N1CCN(C)CC1)C(C)(C)C ZINC000802640399 1130023615 /nfs/dbraw/zinc/02/36/15/1130023615.db2.gz LJXFWGZWCXPCGM-OAHLLOKOSA-N 0 1 289.467 3.533 20 0 CHADMN CSc1cc(CN[C@@H](C)c2ccnc(Cl)c2)ccn1 ZINC000772467586 1130023703 /nfs/dbraw/zinc/02/37/03/1130023703.db2.gz AHJNAISOSRQTPS-JTQLQIEISA-N 0 1 293.823 3.703 20 0 CHADMN CNc1ccccc1CN[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000902578653 1130029263 /nfs/dbraw/zinc/02/92/63/1130029263.db2.gz UUFOAGCEHPNXIU-CXAGYDPISA-N 0 1 282.387 3.730 20 0 CHADMN CCc1cc(CNCc2ccc(C(F)(F)F)cc2C)[nH]n1 ZINC000785537740 1130039231 /nfs/dbraw/zinc/03/92/31/1130039231.db2.gz BQUZOQWRBOMNOK-UHFFFAOYSA-N 0 1 297.324 3.589 20 0 CHADMN CNc1ccccc1CN[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000902703845 1130041134 /nfs/dbraw/zinc/04/11/34/1130041134.db2.gz CHGQKTDENIZYNA-AWEZNQCLSA-N 0 1 298.434 3.576 20 0 CHADMN COc1ccc(OC)c(-c2cccc(CN(C)C)c2F)c1 ZINC001239667814 1130042785 /nfs/dbraw/zinc/04/27/85/1130042785.db2.gz HLJCPYDWESFKJO-UHFFFAOYSA-N 0 1 289.350 3.572 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)Cc2ccnc(Cl)c2F)C1 ZINC000823399380 1131425119 /nfs/dbraw/zinc/42/51/19/1131425119.db2.gz BPZONRQGAVIBKC-CMPLNLGQSA-N 0 1 270.779 3.885 20 0 CHADMN Clc1ncccc1CN1CCC[C@@H](c2ccncc2)C1 ZINC000829812053 1130058541 /nfs/dbraw/zinc/05/85/41/1130058541.db2.gz NORZSHPJAOHSCS-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN CCCn1cc([C@@H](C)N[C@@H](c2ccccc2)C2CCC2)nn1 ZINC000902791071 1130059109 /nfs/dbraw/zinc/05/91/09/1130059109.db2.gz SWABJMDPLYHPEG-KDOFPFPSSA-N 0 1 298.434 3.880 20 0 CHADMN COc1ccc(F)cc1-c1cc2nc[nH]c2cc1C ZINC001239720822 1130073075 /nfs/dbraw/zinc/07/30/75/1130073075.db2.gz SENYDAWSCZEWBC-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CCCn1cc([C@H](C)N[C@H]2c3ccccc3CC[C@@H]2C)nn1 ZINC000902889467 1130078479 /nfs/dbraw/zinc/07/84/79/1130078479.db2.gz KAIBWYNRZYEBBK-SUNYJGFJSA-N 0 1 298.434 3.662 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)cn1)c1ccc[nH]1 ZINC000902889954 1130079180 /nfs/dbraw/zinc/07/91/80/1130079180.db2.gz TWZFZUVLJARQDO-ZJUUUORDSA-N 0 1 283.297 3.840 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(C(F)(F)F)cn1)c1ccc[nH]1 ZINC000902889952 1130079328 /nfs/dbraw/zinc/07/93/28/1130079328.db2.gz TWZFZUVLJARQDO-UWVGGRQHSA-N 0 1 283.297 3.840 20 0 CHADMN Cc1cc(F)ccc1-c1ccc(CCN2CCOCC2)cc1 ZINC001239741491 1130083444 /nfs/dbraw/zinc/08/34/44/1130083444.db2.gz FPCUZRDZLRUBGA-UHFFFAOYSA-N 0 1 299.389 3.676 20 0 CHADMN C[C@@H](N[C@@H]1CC(C)(C)CCc2ccccc21)c1cn(C)nn1 ZINC000902980748 1130094384 /nfs/dbraw/zinc/09/43/84/1130094384.db2.gz BXPSTOQTFUBRDK-CZUORRHYSA-N 0 1 298.434 3.570 20 0 CHADMN CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)C1 ZINC000394518056 1130103780 /nfs/dbraw/zinc/10/37/80/1130103780.db2.gz FJTUUKWFJZBREQ-OAGGEKHMSA-N 0 1 281.440 3.780 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1cccc(C2CC2)c1)c1nncn1C ZINC000903063676 1130107873 /nfs/dbraw/zinc/10/78/73/1130107873.db2.gz GWFLTUMQTYPCGX-DYVFJYSZSA-N 0 1 298.434 3.740 20 0 CHADMN CCCCn1cc(CN[C@H](c2ccccn2)C2CC2)c(C)n1 ZINC000903132649 1130117011 /nfs/dbraw/zinc/11/70/11/1130117011.db2.gz VBGIDZFZVDBJPJ-SFHVURJKSA-N 0 1 298.434 3.628 20 0 CHADMN CCCSC[C@@H](C)NC1(c2nc(C)cs2)CCC1 ZINC000903134218 1130117425 /nfs/dbraw/zinc/11/74/25/1130117425.db2.gz BRXFWXNJOBNTPK-GFCCVEGCSA-N 0 1 284.494 3.952 20 0 CHADMN CCSc1cc(CN[C@H](c2ccccn2)C2CC2)ccn1 ZINC000903154226 1130120750 /nfs/dbraw/zinc/12/07/50/1130120750.db2.gz RIZUYKFXDXQVFZ-KRWDZBQOSA-N 0 1 299.443 3.830 20 0 CHADMN CCSc1cc(CN[C@@H](c2ccccn2)C2CC2)ccn1 ZINC000903154228 1130120763 /nfs/dbraw/zinc/12/07/63/1130120763.db2.gz RIZUYKFXDXQVFZ-QGZVFWFLSA-N 0 1 299.443 3.830 20 0 CHADMN CCc1cc(CN[C@@H](C)c2csc(Cl)c2)[nH]n1 ZINC000786913507 1130121008 /nfs/dbraw/zinc/12/10/08/1130121008.db2.gz YGFXZKALHNSNJJ-QMMMGPOBSA-N 0 1 269.801 3.538 20 0 CHADMN C[C@@H](OC(=O)[C@@H]1CCCN1C1CCCC1)c1ccccc1 ZINC000786882298 1130121146 /nfs/dbraw/zinc/12/11/46/1130121146.db2.gz NTQBVVRGJSBJBF-PBHICJAKSA-N 0 1 287.403 3.698 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1csc(Cl)c1)C(F)(F)F ZINC000786926718 1130122812 /nfs/dbraw/zinc/12/28/12/1130122812.db2.gz QYPZBEMKBGNTCN-XPUUQOCRSA-N 0 1 287.734 3.629 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2NCc1nccc2c1CCCC2 ZINC000903182830 1130126095 /nfs/dbraw/zinc/12/60/95/1130126095.db2.gz VNPYDGXYIYLBBW-INIZCTEOSA-N 0 1 282.387 3.721 20 0 CHADMN CCN(Cc1ccccc1)Cc1ccc(F)nc1C ZINC000787051622 1130128177 /nfs/dbraw/zinc/12/81/77/1130128177.db2.gz ZYRCOMJTFBDWPI-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN COc1ccc(-c2cc3nc[nH]c3cc2F)c(C)c1 ZINC001239827904 1130128961 /nfs/dbraw/zinc/12/89/61/1130128961.db2.gz UKCHUTJDRHXQTH-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CN(C)c1ccnc(CN[C@@H]2CC(C)(C)Cc3occc32)c1 ZINC000903201974 1130128915 /nfs/dbraw/zinc/12/89/15/1130128915.db2.gz SOLFBEXYNDTNFI-MRXNPFEDSA-N 0 1 299.418 3.544 20 0 CHADMN Cc1nc(F)ccc1CN1Cc2ccccc2[C@H](C)C1 ZINC000787057948 1130130939 /nfs/dbraw/zinc/13/09/39/1130130939.db2.gz CXSDDXSKQZKJCS-GFCCVEGCSA-N 0 1 270.351 3.648 20 0 CHADMN Cc1ncc([C@H](C)NCc2c[nH]c(=O)c3ccccc23)s1 ZINC000903235942 1130133648 /nfs/dbraw/zinc/13/36/48/1130133648.db2.gz QRRMOIPRMCAUHI-JTQLQIEISA-N 0 1 299.399 3.556 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2OC[C@H]1F)C(C)(C)C(F)F ZINC000903266586 1130140917 /nfs/dbraw/zinc/14/09/17/1130140917.db2.gz PTYDJNYYEQUGGN-UFGOTCBOSA-N 0 1 287.325 3.728 20 0 CHADMN CCc1cccc(CN(C)Cc2ccc(Cl)nc2)c1 ZINC000787256709 1130141709 /nfs/dbraw/zinc/14/17/09/1130141709.db2.gz KFTWPUQBHYXIGX-UHFFFAOYSA-N 0 1 274.795 3.929 20 0 CHADMN Fc1ccc(C2(NCc3ccc(F)cn3)CCC2)cc1 ZINC000787261184 1130141966 /nfs/dbraw/zinc/14/19/66/1130141966.db2.gz RFVISKFQLULLEC-UHFFFAOYSA-N 0 1 274.314 3.529 20 0 CHADMN CC(C)CNC(=O)c1ccc(-c2cc3[nH]ccc3cn2)cc1 ZINC001239910123 1130151193 /nfs/dbraw/zinc/15/11/93/1130151193.db2.gz SHGDFFFTIZJKLY-UHFFFAOYSA-N 0 1 293.370 3.616 20 0 CHADMN CC(=O)Nc1ccc([C@H](C)N[C@@H](C)c2cncs2)cc1 ZINC000903312670 1130152052 /nfs/dbraw/zinc/15/20/52/1130152052.db2.gz XQLJRNQAXJBMSK-QWRGUYRKSA-N 0 1 289.404 3.513 20 0 CHADMN CCCCCC[C@@](C)(CC)C(=O)N1CCN2CCC1CC2 ZINC000787515046 1130152761 /nfs/dbraw/zinc/15/27/61/1130152761.db2.gz JKSBBDWZHNQRNO-GOSISDBHSA-N 0 1 294.483 3.680 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@@H](c1ncccc1C)C(C)(C)C ZINC000903328806 1130157023 /nfs/dbraw/zinc/15/70/23/1130157023.db2.gz OMRMXSUJKYFLRK-LRDDRELGSA-N 0 1 286.423 3.860 20 0 CHADMN Cc1cccnc1[C@@H](N[C@H](C)c1ccnnc1)C(C)(C)C ZINC000903329980 1130157488 /nfs/dbraw/zinc/15/74/88/1130157488.db2.gz STFIKICGJYVVSM-CZUORRHYSA-N 0 1 284.407 3.618 20 0 CHADMN Cc1c([C@H](C)N[C@H](c2ccccn2)C2CC2)cnn1C(C)C ZINC000903334449 1130159988 /nfs/dbraw/zinc/15/99/88/1130159988.db2.gz AAOMXERCNPGKQU-UGSOOPFHSA-N 0 1 298.434 3.969 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@@H](c1ccccn1)C1CC1 ZINC000903335446 1130160308 /nfs/dbraw/zinc/16/03/08/1130160308.db2.gz PGPDMRJRIBZWRY-IAQYHMDHSA-N 0 1 288.416 3.954 20 0 CHADMN c1cc2c(o1)CCC[C@H]2N[C@@H](c1ccccn1)C1CC1 ZINC000903335100 1130160527 /nfs/dbraw/zinc/16/05/27/1130160527.db2.gz KTOLGGQISVBOHT-RHSMWYFYSA-N 0 1 268.360 3.793 20 0 CHADMN c1cc2c(o1)CCC[C@H]2N[C@H](c1ccccn1)C1CC1 ZINC000903335099 1130160693 /nfs/dbraw/zinc/16/06/93/1130160693.db2.gz KTOLGGQISVBOHT-PBHICJAKSA-N 0 1 268.360 3.793 20 0 CHADMN CC[C@@H](C)c1ccc([C@H](C)NCc2cn(C)cn2)cc1 ZINC000903351796 1130164459 /nfs/dbraw/zinc/16/44/59/1130164459.db2.gz PBRGEVOARDZXGS-KGLIPLIRSA-N 0 1 271.408 3.784 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H](C)COCC1CCCCC1 ZINC000903353348 1130165961 /nfs/dbraw/zinc/16/59/61/1130165961.db2.gz BYFAJEOQFOHWMK-HUUCEWRRSA-N 0 1 293.455 3.539 20 0 CHADMN CCc1ccc([C@H](C)NCc2c(C)nc3ccccn32)o1 ZINC000903422931 1130174977 /nfs/dbraw/zinc/17/49/77/1130174977.db2.gz SAKBHRRTIFQNGQ-ZDUSSCGKSA-N 0 1 283.375 3.649 20 0 CHADMN C[C@@H](N[C@H](c1ccncc1)C1CC1)c1ccc(Cl)cn1 ZINC000903426135 1130175130 /nfs/dbraw/zinc/17/51/30/1130175130.db2.gz AIKNDMRQTUUHML-BZNIZROVSA-N 0 1 287.794 3.932 20 0 CHADMN C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1cccc(O)c1F ZINC000903428452 1130176059 /nfs/dbraw/zinc/17/60/59/1130176059.db2.gz HGUUKGZJOJEBJS-PIGZYNQJSA-N 0 1 286.350 3.728 20 0 CHADMN CC(C)CCC[C@H](C)N1CCN(C)c2ncccc2C1 ZINC001170082709 1130177354 /nfs/dbraw/zinc/17/73/54/1130177354.db2.gz MTFFKOWJCVWMKI-HNNXBMFYSA-N 0 1 275.440 3.548 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NC/C=C/Cl)CCS2 ZINC000903442768 1130177555 /nfs/dbraw/zinc/17/75/55/1130177555.db2.gz TYXZSUZNJPAVOX-SRCWYMLCSA-N 0 1 257.761 3.705 20 0 CHADMN FC(F)(F)c1cnc2c(c1)[C@H](NC/C=C/Cl)CCC2 ZINC000903445111 1130177902 /nfs/dbraw/zinc/17/79/02/1130177902.db2.gz RRJKSDUASQJQED-XGQHYKRYSA-N 0 1 290.716 3.820 20 0 CHADMN CC(C)Oc1cccc(-c2ccc3cncn3c2)c1 ZINC001239969120 1130178406 /nfs/dbraw/zinc/17/84/06/1130178406.db2.gz WZSHTTLPORFGGS-UHFFFAOYSA-N 0 1 252.317 3.789 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000903590833 1130182871 /nfs/dbraw/zinc/18/28/71/1130182871.db2.gz AQGWBAZLKWEHAF-CAVOSLQRSA-N 0 1 293.382 3.503 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000903593978 1130183616 /nfs/dbraw/zinc/18/36/16/1130183616.db2.gz AONFOUMKYXLQKC-YXJHDRRASA-N 0 1 289.419 3.539 20 0 CHADMN CCC[N@@H+](CCc1cccc(F)c1)[C@@H](C(=O)[O-])[C@H](C)CC ZINC000903597915 1130183645 /nfs/dbraw/zinc/18/36/45/1130183645.db2.gz PKVCOSOVQAZFCL-CZUORRHYSA-N 0 1 295.398 3.580 20 0 CHADMN Cc1cc(C)c([C@H](C)[N@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)c(C)c1 ZINC000903630979 1130184854 /nfs/dbraw/zinc/18/48/54/1130184854.db2.gz IGPRHBAXZBZBBB-OWCLPIDISA-N 0 1 289.419 3.715 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1CCc2ccc(C(C)C)cc2C1 ZINC000903603436 1130184882 /nfs/dbraw/zinc/18/48/82/1130184882.db2.gz WDGRNEAUSYJCIQ-CXAGYDPISA-N 0 1 289.419 3.667 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC000903608338 1130184962 /nfs/dbraw/zinc/18/49/62/1130184962.db2.gz VHUWINQIBMQOMH-ZUZCIYMTSA-N 0 1 295.810 3.506 20 0 CHADMN COc1cc(F)ccc1-c1cc(F)c2c(c1)CN(C)CC2 ZINC001240000142 1130187473 /nfs/dbraw/zinc/18/74/73/1130187473.db2.gz IGNZDUDBFUSYIU-UHFFFAOYSA-N 0 1 289.325 3.628 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1cnn(Cc2ccccc2)c1 ZINC001240004032 1130188943 /nfs/dbraw/zinc/18/89/43/1130188943.db2.gz MKGWSBNKKFPJSZ-UHFFFAOYSA-N 0 1 288.354 3.783 20 0 CHADMN CC(C)[C@@H]1[C@@H](C(C)C)C[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000903690719 1130189240 /nfs/dbraw/zinc/18/92/40/1130189240.db2.gz OWCNXCPBHUWINJ-TZMCWYRMSA-N 0 1 281.421 3.559 20 0 CHADMN CC(C)[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])s2)[C@H]1C(C)C ZINC000903690718 1130189482 /nfs/dbraw/zinc/18/94/82/1130189482.db2.gz OWCNXCPBHUWINJ-OCCSQVGLSA-N 0 1 281.421 3.559 20 0 CHADMN CC(C)CC[C@@H]1CCCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903695821 1130190653 /nfs/dbraw/zinc/19/06/53/1130190653.db2.gz JZXSNDZCNNGKJA-HNNXBMFYSA-N 0 1 281.440 3.922 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@H](C3CCCCC3)C2)CCC1 ZINC000903706611 1130192158 /nfs/dbraw/zinc/19/21/58/1130192158.db2.gz LCGYCFIWMYWZGH-INIZCTEOSA-N 0 1 293.451 3.924 20 0 CHADMN CCC(CC)CCC[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC000903707013 1130192519 /nfs/dbraw/zinc/19/25/19/1130192519.db2.gz QGFVXXIRJMLUCV-UHFFFAOYSA-N 0 1 269.429 3.780 20 0 CHADMN c1ncn2c1cccc2-c1ccc(N2CCCCC2)cc1 ZINC001240013111 1130193297 /nfs/dbraw/zinc/19/32/97/1130193297.db2.gz KTGRXWUPYQYJAL-UHFFFAOYSA-N 0 1 277.371 3.992 20 0 CHADMN Cc1cc(C)nc(CN[C@H]2c3ccccc3NC2(C)C)c1 ZINC000903783810 1130197459 /nfs/dbraw/zinc/19/74/59/1130197459.db2.gz DOLNOJNADKZJTF-KRWDZBQOSA-N 0 1 281.403 3.733 20 0 CHADMN COc1ccc(-c2cccc3nc[nH]c32)cc1Cl ZINC001240031713 1130200146 /nfs/dbraw/zinc/20/01/46/1130200146.db2.gz PLDNSNROLYLBGV-UHFFFAOYSA-N 0 1 258.708 3.892 20 0 CHADMN CC[C@@H](CSC)N[C@H]1COCc2cccc(Cl)c21 ZINC000788691270 1130201225 /nfs/dbraw/zinc/20/12/25/1130201225.db2.gz LMQGTUSTRGVZJH-AAEUAGOBSA-N 0 1 285.840 3.643 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903881146 1130207595 /nfs/dbraw/zinc/20/75/95/1130207595.db2.gz FKMQNNBDYYXOJU-CQSZACIVSA-N 0 1 298.386 3.698 20 0 CHADMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC000903893394 1130208318 /nfs/dbraw/zinc/20/83/18/1130208318.db2.gz DEFGGBYMLXPWNH-OLZOCXBDSA-N 0 1 298.386 3.553 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]1C[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC000903888304 1130208672 /nfs/dbraw/zinc/20/86/72/1130208672.db2.gz YHRVFNHIYUMPCL-DOTOQJQBSA-N 0 1 287.403 3.542 20 0 CHADMN C[N@@H+](CC1CCCCC1)[C@@H](CCc1ccccc1)C(=O)[O-] ZINC000903887475 1130208691 /nfs/dbraw/zinc/20/86/91/1130208691.db2.gz SHEUMZNVNMGNFT-KRWDZBQOSA-N 0 1 289.419 3.585 20 0 CHADMN Cc1cccc([C@H]2CCCC[N@H+]2C[C@@H]2C[C@H]2C(=O)[O-])c1C ZINC000903894095 1130208910 /nfs/dbraw/zinc/20/89/10/1130208910.db2.gz ODAPDGJEIKRTJZ-USXIJHARSA-N 0 1 287.403 3.551 20 0 CHADMN CCCC[N@H+](Cc1ccccc1Cl)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903889104 1130209082 /nfs/dbraw/zinc/20/90/82/1130209082.db2.gz DZCAMDOPWQGFKT-UONOGXRCSA-N 0 1 295.810 3.663 20 0 CHADMN Cc1cc(-c2cccc(C(=O)NC(C)C)c2)cc2nc[nH]c21 ZINC001240080628 1130209052 /nfs/dbraw/zinc/20/90/52/1130209052.db2.gz SLMGDZHIUJETOP-UHFFFAOYSA-N 0 1 293.370 3.677 20 0 CHADMN C[C@H](C[N@@H+](C)[C@H](CCc1ccccc1)C(=O)[O-])C(C)(C)C ZINC000903913703 1130209787 /nfs/dbraw/zinc/20/97/87/1130209787.db2.gz SQKGTZRFRRYRED-GDBMZVCRSA-N 0 1 291.435 3.686 20 0 CHADMN CC(C)C[N@@H+](C[C@H]1CC2CCC1CC2)CC(C)(C)C(=O)[O-] ZINC000903913296 1130210492 /nfs/dbraw/zinc/21/04/92/1130210492.db2.gz NONMLLUPOUNFGB-UYSNPLJNSA-N 0 1 295.467 3.882 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CC3CCC1CC3)CC2 ZINC000903901809 1130210566 /nfs/dbraw/zinc/21/05/66/1130210566.db2.gz QQGRSJDDDWJVAE-MQBCKMQZSA-N 0 1 299.414 3.569 20 0 CHADMN O=C([O-])c1ccc2c(c1)CC[N@H+](C[C@H]1CC3CCC1CC3)C2 ZINC000903914264 1130210852 /nfs/dbraw/zinc/21/08/52/1130210852.db2.gz VKAILHJUMABCSG-WTNGLUPJSA-N 0 1 299.414 3.569 20 0 CHADMN C[C@H](C[N@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]1C)c1ccccc1 ZINC000903951291 1130211020 /nfs/dbraw/zinc/21/10/20/1130211020.db2.gz TWNTZGOUFQVSRR-GHYKFQNRSA-N 0 1 289.419 3.610 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](C/C=C\c2ccccc2)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903950506 1130211976 /nfs/dbraw/zinc/21/19/76/1130211976.db2.gz QCKIVZDESBEZHQ-PCMMKPGSSA-N 0 1 287.403 3.519 20 0 CHADMN CCc1ccc(C[N@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000903951396 1130212021 /nfs/dbraw/zinc/21/20/21/1130212021.db2.gz JGZUXZWVGDRUAN-QDEZUTFSSA-N 0 1 289.419 3.569 20 0 CHADMN Cc1ncc2c(n1)CCC[C@@H]2N[C@@H]1CCc2ccc(F)cc21 ZINC000748270858 1130226303 /nfs/dbraw/zinc/22/63/03/1130226303.db2.gz ZHFTWIKBDIKIFY-ZWKOTPCHSA-N 0 1 297.377 3.579 20 0 CHADMN COc1ccccc1C[N@@H+](C)Cc1ccc2c(ccn2C)c1 ZINC001139193194 1130229741 /nfs/dbraw/zinc/22/97/41/1130229741.db2.gz DOABQTMJFHVQFF-UHFFFAOYSA-N 0 1 294.398 3.819 20 0 CHADMN COc1ccccc1CN(C)Cc1ccc2c(ccn2C)c1 ZINC001139193194 1130229745 /nfs/dbraw/zinc/22/97/45/1130229745.db2.gz DOABQTMJFHVQFF-UHFFFAOYSA-N 0 1 294.398 3.819 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2ccc3c(ccn3C)c2)cn1 ZINC001139192988 1130229873 /nfs/dbraw/zinc/22/98/73/1130229873.db2.gz UMHXVZYSMPHPHR-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3c(ccn3C)c2)cn1 ZINC001139192988 1130229876 /nfs/dbraw/zinc/22/98/76/1130229876.db2.gz UMHXVZYSMPHPHR-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN CSc1ccc(Cl)cc1NC(=S)NC1(C)CC1 ZINC000789209068 1130237919 /nfs/dbraw/zinc/23/79/19/1130237919.db2.gz QVIDGEXRAVWFBE-UHFFFAOYSA-N 0 1 286.853 3.901 20 0 CHADMN CC(C)C1=NCCc2ccc(-c3cncc(F)c3)cc21 ZINC001240237483 1130243288 /nfs/dbraw/zinc/24/32/88/1130243288.db2.gz YFPFZTBDAQGAOC-UHFFFAOYSA-N 0 1 268.335 3.889 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1cccc2cc[nH]c21 ZINC000772734984 1130247307 /nfs/dbraw/zinc/24/73/07/1130247307.db2.gz MTMQRMQSZJHIFF-UHFFFAOYSA-N 0 1 287.407 3.619 20 0 CHADMN COC(=O)/C(C)=C/CN1CCCCC[C@H]1c1ccc(C)o1 ZINC000748821643 1130248937 /nfs/dbraw/zinc/24/89/37/1130248937.db2.gz SRIRMCFPRUBZRO-VOMSXAGXSA-N 0 1 291.391 3.624 20 0 CHADMN FC(F)(F)c1ccc(-c2cc(N3CCCC3)ccn2)cn1 ZINC001240266812 1130252375 /nfs/dbraw/zinc/25/23/75/1130252375.db2.gz GFDCLNOSZVAMBK-UHFFFAOYSA-N 0 1 293.292 3.763 20 0 CHADMN FC(F)(F)c1ccc(-c2cccc3nc[nH]c32)cn1 ZINC001240267378 1130252521 /nfs/dbraw/zinc/25/25/21/1130252521.db2.gz DUVCCUBQTBHRRL-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN Cc1nc2cccc(-c3ccc(C(F)(F)F)nc3)c2[nH]1 ZINC001240268432 1130253325 /nfs/dbraw/zinc/25/33/25/1130253325.db2.gz GWPCJEFULRPNNC-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN CCC[C@@H](C)OC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000748901313 1130253877 /nfs/dbraw/zinc/25/38/77/1130253877.db2.gz YYAADJCVAOAXGN-LLVKDONJSA-N 0 1 299.374 3.695 20 0 CHADMN CCN(C)C(=O)c1ccc(-c2cc3nc[nH]c3c(C)c2)cc1 ZINC001240282219 1130254763 /nfs/dbraw/zinc/25/47/63/1130254763.db2.gz DMVVGCIIWASOGY-UHFFFAOYSA-N 0 1 293.370 3.630 20 0 CHADMN c1[nH]nc2cccc(-c3cc(N4CCCCC4)ccn3)c12 ZINC001240310694 1130261597 /nfs/dbraw/zinc/26/15/97/1130261597.db2.gz GUDUQCXYXIOAPG-UHFFFAOYSA-N 0 1 278.359 3.615 20 0 CHADMN COc1cccc([C@@H](C)NCc2ccc(Cl)nc2)c1 ZINC000749126601 1130266285 /nfs/dbraw/zinc/26/62/85/1130266285.db2.gz QLLFCPYKTOAPNT-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN COc1cccc([C@H](C)NCc2c(C)cccc2F)c1 ZINC000749132626 1130267206 /nfs/dbraw/zinc/26/72/06/1130267206.db2.gz QVAHMTNJIOTPKP-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN FC(F)(F)c1cc(-c2cccc3nc[nH]c32)ccn1 ZINC001240338825 1130269261 /nfs/dbraw/zinc/26/92/61/1130269261.db2.gz RVKRFKMDEAUWPG-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN Cc1nc2c[nH]cc(-c3ccc4c(c3)ncn4C(C)C)c-2n1 ZINC001240371171 1130281971 /nfs/dbraw/zinc/28/19/71/1130281971.db2.gz IARZQJSVOQYXNV-UHFFFAOYSA-N 0 1 291.358 3.864 20 0 CHADMN Cc1nc2c(cncc2-c2ccc3c(c2)ncn3C(C)C)[nH]1 ZINC001240371171 1130281974 /nfs/dbraw/zinc/28/19/74/1130281974.db2.gz IARZQJSVOQYXNV-UHFFFAOYSA-N 0 1 291.358 3.864 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCC[C@@H](C3CC3)C2)n1 ZINC000677031081 1130282923 /nfs/dbraw/zinc/28/29/23/1130282923.db2.gz XMKPVOYIGGYRJH-OAHLLOKOSA-N 0 1 297.402 3.667 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@H](C2CC2)C1 ZINC000677047203 1130284495 /nfs/dbraw/zinc/28/44/95/1130284495.db2.gz PSSUCOCMVBFGQX-LBPRGKRZSA-N 0 1 251.320 3.587 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@@H](C2CC2)C1 ZINC000677047202 1130284594 /nfs/dbraw/zinc/28/45/94/1130284594.db2.gz PSSUCOCMVBFGQX-GFCCVEGCSA-N 0 1 251.320 3.587 20 0 CHADMN Fc1ccc(C2=CCCN(Cc3ccccc3)C2)c(F)n1 ZINC001240388539 1130285861 /nfs/dbraw/zinc/28/58/61/1130285861.db2.gz OSHIZRZRGYQQFV-UHFFFAOYSA-N 0 1 286.325 3.649 20 0 CHADMN Fc1cc(C(F)(F)F)ccc1-c1nccc2[nH]cnc21 ZINC001240394545 1130290644 /nfs/dbraw/zinc/29/06/44/1130290644.db2.gz ULRUCXIOUXOKAO-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN Fc1cc(C(F)(F)F)ccc1-c1ccc2[nH]nnc2c1 ZINC001240397131 1130291092 /nfs/dbraw/zinc/29/10/92/1130291092.db2.gz QLHZPLKHWWVSBQ-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN Fc1cc(C(F)(F)F)ccc1-c1ccc2nn[nH]c2c1 ZINC001240397131 1130291097 /nfs/dbraw/zinc/29/10/97/1130291097.db2.gz QLHZPLKHWWVSBQ-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN CCOc1ccc(CN[C@H](c2cccs2)C2CC2)nc1 ZINC000677148893 1130294119 /nfs/dbraw/zinc/29/41/19/1130294119.db2.gz SIUYLCSYDZZXPH-INIZCTEOSA-N 0 1 288.416 3.783 20 0 CHADMN c1cc2c(nccc2-c2cc(N3CCCCC3)ccn2)[nH]1 ZINC001240411547 1130297254 /nfs/dbraw/zinc/29/72/54/1130297254.db2.gz UPVCOZPAHYRINH-UHFFFAOYSA-N 0 1 278.359 3.615 20 0 CHADMN Cc1nc2cccc(-c3cnn(CCC(C)C)c3)c2[nH]1 ZINC001240420579 1130302224 /nfs/dbraw/zinc/30/22/24/1130302224.db2.gz VYWKLFMFSNDDHV-UHFFFAOYSA-N 0 1 268.364 3.781 20 0 CHADMN COc1ccc(F)c(F)c1-c1cccc2nc[nH]c21 ZINC001240434386 1130310279 /nfs/dbraw/zinc/31/02/79/1130310279.db2.gz PKFLMTCMADYDCX-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN COc1ccc(F)c(F)c1-c1cnc2nc(C)[nH]c2c1C ZINC001240438196 1130312605 /nfs/dbraw/zinc/31/26/05/1130312605.db2.gz LIWCXLWMTYBFMK-UHFFFAOYSA-N 0 1 289.285 3.529 20 0 CHADMN CC(C)N1CC(Nc2ccc3c(Cl)ccc(F)c3n2)C1 ZINC001157529544 1130315686 /nfs/dbraw/zinc/31/56/86/1130315686.db2.gz GZWJYSWQEKAJNB-UHFFFAOYSA-N 0 1 293.773 3.532 20 0 CHADMN CC[C@@H](C)CC(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000790629645 1130322215 /nfs/dbraw/zinc/32/22/15/1130322215.db2.gz BUQHHHGZFMCXRL-NXEZZACHSA-N 0 1 293.798 3.830 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CCC2(CC2)CC1 ZINC000677719223 1130323282 /nfs/dbraw/zinc/32/32/82/1130323282.db2.gz RVSNJTJYKZSSLC-UHFFFAOYSA-N 0 1 287.382 3.571 20 0 CHADMN CSc1ccc(OCCN2CC3(C2)CC(F)(F)C3)cc1 ZINC000677730893 1130324361 /nfs/dbraw/zinc/32/43/61/1130324361.db2.gz HNNPCVGAIKVKJS-UHFFFAOYSA-N 0 1 299.386 3.518 20 0 CHADMN Cc1cc2cc(-c3ccc(F)c(CN(C)C)c3)cnc2[nH]1 ZINC001240488487 1130324961 /nfs/dbraw/zinc/32/49/61/1130324961.db2.gz BPAWAYYYSMYJIO-UHFFFAOYSA-N 0 1 283.350 3.739 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CC[C@@H](C(F)F)C1 ZINC000677735349 1130326817 /nfs/dbraw/zinc/32/68/17/1130326817.db2.gz ZANZFANMOQECPG-DTWKUNHWSA-N 0 1 261.262 3.613 20 0 CHADMN COc1cc(CN2CC[C@@H](C(F)F)C2)ccc1SC ZINC000677734691 1130327587 /nfs/dbraw/zinc/32/75/87/1130327587.db2.gz VDVJXQRIEVBIKF-LLVKDONJSA-N 0 1 287.375 3.504 20 0 CHADMN Cc1cc2cc(-c3cc(F)c4c(c3)CN(C)CC4)cnc2[nH]1 ZINC001240497383 1130329550 /nfs/dbraw/zinc/32/95/50/1130329550.db2.gz YJJLEFWPRQXQSE-UHFFFAOYSA-N 0 1 295.361 3.665 20 0 CHADMN Cc1ncc([C@H](C)NCc2cnc3ccccc3c2)s1 ZINC000677754965 1130330272 /nfs/dbraw/zinc/33/02/72/1130330272.db2.gz NUHIKUPQRJBWFW-NSHDSACASA-N 0 1 283.400 3.851 20 0 CHADMN CCOC(=O)c1cc2[nH]c(-c3ccsc3C)ccc-2n1 ZINC001240499168 1130330772 /nfs/dbraw/zinc/33/07/72/1130330772.db2.gz ORCPMONKWYVXRS-UHFFFAOYSA-N 0 1 286.356 3.777 20 0 CHADMN CCOC(=O)c1nc2ccc(-c3ccsc3C)cc2[nH]1 ZINC001240501519 1130331766 /nfs/dbraw/zinc/33/17/66/1130331766.db2.gz CXOWPJLCPNMOEA-UHFFFAOYSA-N 0 1 286.356 3.777 20 0 CHADMN CCCCc1ccc(NC(=O)c2cnc3nc[nH]c3c2)cc1 ZINC000677844309 1130333223 /nfs/dbraw/zinc/33/32/23/1130333223.db2.gz WKJNUPRENVPCNY-UHFFFAOYSA-N 0 1 294.358 3.553 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C=Cc1cccs1 ZINC000791052613 1130348100 /nfs/dbraw/zinc/34/81/00/1130348100.db2.gz ZYAZKCPWHFFFSU-PLNGDYQASA-N 0 1 283.356 3.585 20 0 CHADMN c1nc2ccc(-c3cccc(N4CCCC4)c3)cc2[nH]1 ZINC001240535461 1130348290 /nfs/dbraw/zinc/34/82/90/1130348290.db2.gz YERDHRNMQWITRR-UHFFFAOYSA-N 0 1 263.344 3.830 20 0 CHADMN CCCC(C)=CC(=O)Nc1cc2cn[nH]c2cc1C ZINC000791052500 1130348938 /nfs/dbraw/zinc/34/89/38/1130348938.db2.gz WEXVXBZMQDBWDW-UXBLZVDNSA-N 0 1 257.337 3.556 20 0 CHADMN CCC(C)(C)c1ccc(NC(=O)CN(C)C(C)C)cc1 ZINC000791113778 1130352037 /nfs/dbraw/zinc/35/20/37/1130352037.db2.gz FVJDFALPWVKMRS-UHFFFAOYSA-N 0 1 276.424 3.653 20 0 CHADMN CC[C@@H](C(=O)Nc1ccc(C(C)(C)CC)cc1)N(C)C ZINC000791115216 1130352445 /nfs/dbraw/zinc/35/24/45/1130352445.db2.gz SWZWUTBZOKFWHM-HNNXBMFYSA-N 0 1 276.424 3.653 20 0 CHADMN CN(Cc1coc2ccccc12)Cc1cccc(O)c1 ZINC000678118115 1130353004 /nfs/dbraw/zinc/35/30/04/1130353004.db2.gz LRZVCAWLCMPMGV-UHFFFAOYSA-N 0 1 267.328 3.770 20 0 CHADMN C[C@H](CN1C[C@@H](C(F)(F)F)OC[C@H]1C)C1CCCCC1 ZINC001170148965 1130353914 /nfs/dbraw/zinc/35/39/14/1130353914.db2.gz LJZQSVWVJXFLJD-BZPMIXESSA-N 0 1 293.373 3.854 20 0 CHADMN c1cc([C@H]2CCCN2Cc2n[nH]c3ccccc32)cs1 ZINC000678140163 1130358668 /nfs/dbraw/zinc/35/86/68/1130358668.db2.gz KRXKCXPNDOJZJW-MRXNPFEDSA-N 0 1 283.400 3.962 20 0 CHADMN c1cc([C@@H]2CCCN2Cc2n[nH]c3ccccc32)cs1 ZINC000678140161 1130359877 /nfs/dbraw/zinc/35/98/77/1130359877.db2.gz KRXKCXPNDOJZJW-INIZCTEOSA-N 0 1 283.400 3.962 20 0 CHADMN COCCN(Cc1ccco1)Cc1ccccc1C1CC1 ZINC000678156011 1130362883 /nfs/dbraw/zinc/36/28/83/1130362883.db2.gz MFALOBGEITWAIQ-UHFFFAOYSA-N 0 1 285.387 3.806 20 0 CHADMN Cc1cc(-c2cc(C)c(O)c(C)c2)cc2nc[nH]c21 ZINC001243307026 1130367471 /nfs/dbraw/zinc/36/74/71/1130367471.db2.gz ZTZBZQBJLPEKLP-UHFFFAOYSA-N 0 1 252.317 3.861 20 0 CHADMN Cc1cc(-c2ccc(N3CCCCC3)nc2)cc2nc[nH]c21 ZINC001240583597 1130372028 /nfs/dbraw/zinc/37/20/28/1130372028.db2.gz DGXZHXIRMSOVLC-UHFFFAOYSA-N 0 1 292.386 3.924 20 0 CHADMN C[C@H]1Cc2ccccc2N1C1CCN(Cc2ccco2)CC1 ZINC000678220261 1130372638 /nfs/dbraw/zinc/37/26/38/1130372638.db2.gz UNEAXVUTYRRFMY-HNNXBMFYSA-N 0 1 296.414 3.695 20 0 CHADMN CCN(C/C=C\c1ccccc1OC)CCC(F)(F)F ZINC000678222331 1130373585 /nfs/dbraw/zinc/37/35/85/1130373585.db2.gz MDZVGUUWWKRBLV-VURMDHGXSA-N 0 1 287.325 3.983 20 0 CHADMN CCN(Cc1ccoc1)Cc1cc(C)c(OC)c(C)c1 ZINC000678233731 1130376775 /nfs/dbraw/zinc/37/67/75/1130376775.db2.gz URGJJXXNGSNEBG-UHFFFAOYSA-N 0 1 273.376 3.927 20 0 CHADMN CCn1cc(CN2CCCC[C@H]2c2ccccc2OC)cn1 ZINC000678241029 1130378406 /nfs/dbraw/zinc/37/84/06/1130378406.db2.gz OMKFTXIWLCTYDT-KRWDZBQOSA-N 0 1 299.418 3.639 20 0 CHADMN COc1ccccc1[C@@H]1CCCCN1Cc1cccn1C ZINC000678241433 1130378841 /nfs/dbraw/zinc/37/88/41/1130378841.db2.gz VCVCPTVNQLYPLM-KRWDZBQOSA-N 0 1 284.403 3.761 20 0 CHADMN Cc1cc(F)cc(-c2ccc(CCN3CCOCC3)cc2)c1 ZINC001240596037 1130379575 /nfs/dbraw/zinc/37/95/75/1130379575.db2.gz VVJMUGIWRYSLNT-UHFFFAOYSA-N 0 1 299.389 3.676 20 0 CHADMN Cn1nc(CN2CCCc3sccc3C2)c2ccccc21 ZINC000678259364 1130380700 /nfs/dbraw/zinc/38/07/00/1130380700.db2.gz MONQTJXAYUWKER-UHFFFAOYSA-N 0 1 297.427 3.583 20 0 CHADMN CCOC(=O)CN([C@H](C)c1ccccc1)[C@H]1CC[C@H](C)C1 ZINC001170156181 1130381713 /nfs/dbraw/zinc/38/17/13/1130381713.db2.gz AUKXAEYCLDLUNY-UXLLHSPISA-N 0 1 289.419 3.801 20 0 CHADMN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1[C@H](C)C[C@@H]1C ZINC000791566640 1130385348 /nfs/dbraw/zinc/38/53/48/1130385348.db2.gz BXOMRJCVDQSALM-MJBXVCDLSA-N 0 1 282.387 3.650 20 0 CHADMN O=C(OCc1ccccc1)[C@H]1CCCCN1C1CCCC1 ZINC000791643343 1130389614 /nfs/dbraw/zinc/38/96/14/1130389614.db2.gz SGCFGKNWIXPZPD-QGZVFWFLSA-N 0 1 287.403 3.527 20 0 CHADMN CC(=O)CCN(C)[C@H](c1ccccc1Cl)C(C)C ZINC000772779779 1130392870 /nfs/dbraw/zinc/39/28/70/1130392870.db2.gz YHSDBTKOHHAFME-HNNXBMFYSA-N 0 1 267.800 3.948 20 0 CHADMN Cc1cc(C)c(C[N@H+]2CCC[C@H](OCc3ccccc3)C2)[nH]1 ZINC001137330777 1130393172 /nfs/dbraw/zinc/39/31/72/1130393172.db2.gz BAUQZRNFOFTVHS-SFHVURJKSA-N 0 1 298.430 3.813 20 0 CHADMN Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccccc1C1CC1 ZINC000678295514 1130394058 /nfs/dbraw/zinc/39/40/58/1130394058.db2.gz FLTAQZIFSQBULR-SFHVURJKSA-N 0 1 295.430 3.807 20 0 CHADMN Cc1cccc(CN(C)Cc2ccccc2C2CC2)n1 ZINC000678314455 1130399686 /nfs/dbraw/zinc/39/96/86/1130399686.db2.gz DZBDUBDVAADHGQ-UHFFFAOYSA-N 0 1 266.388 3.899 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H](C)C3CCCC3)ccc12 ZINC000678330188 1130400748 /nfs/dbraw/zinc/40/07/48/1130400748.db2.gz UOJWUKSBLRBXPR-SNVBAGLBSA-N 0 1 271.364 3.636 20 0 CHADMN CCOc1ccccc1CN[C@@H](C)c1ccc(C)nc1C ZINC000678413589 1130411769 /nfs/dbraw/zinc/41/17/69/1130411769.db2.gz KLBQKDVJIKDKNA-AWEZNQCLSA-N 0 1 284.403 3.948 20 0 CHADMN Cc1cnc([C@H](C)N2CCC(C3CCCC3)CC2)o1 ZINC000678463134 1130419051 /nfs/dbraw/zinc/41/90/51/1130419051.db2.gz ROOKGMZHJZXTAZ-ZDUSSCGKSA-N 0 1 262.397 3.946 20 0 CHADMN CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(CN(CC)CC)o1 ZINC000678486137 1130421512 /nfs/dbraw/zinc/42/15/12/1130421512.db2.gz JZOLIDAQOZXFGF-KBPBESRZSA-N 0 1 292.423 3.525 20 0 CHADMN O=C(Nc1ccc(C2CC2)cc1)c1cc(-c2ccoc2)n[nH]1 ZINC000678485630 1130421726 /nfs/dbraw/zinc/42/17/26/1130421726.db2.gz SKRYVRYUYDPOQO-UHFFFAOYSA-N 0 1 293.326 3.799 20 0 CHADMN Oc1ccc(F)cc1-c1ccc(C2=NCCC2)cc1 ZINC001240696788 1130423713 /nfs/dbraw/zinc/42/37/13/1130423713.db2.gz XGGNJEPQUGGLPM-UHFFFAOYSA-N 0 1 255.292 3.781 20 0 CHADMN COC(=O)c1cc2ccc(-c3ccc(C)c(C)c3)[nH]c-2n1 ZINC001240699784 1130425174 /nfs/dbraw/zinc/42/51/74/1130425174.db2.gz FIDVLVJVURQUGH-UHFFFAOYSA-N 0 1 280.327 3.633 20 0 CHADMN Cc1ccc(-c2nc3nc[nH]c3c(C(F)(F)F)n2)cc1C ZINC001240700051 1130425473 /nfs/dbraw/zinc/42/54/73/1130425473.db2.gz ISAZUMNRDRVXDC-UHFFFAOYSA-N 0 1 292.264 3.607 20 0 CHADMN Cc1ccc(-c2nc(C(C)(C)C)nc3nc[nH]c32)cc1C ZINC001240699727 1130425598 /nfs/dbraw/zinc/42/55/98/1130425598.db2.gz CGHDNRNGSTXTDZ-UHFFFAOYSA-N 0 1 280.375 3.934 20 0 CHADMN Cc1ccc(-c2ccc(N3CCN(C)CC3)cc2)cc1C ZINC001240701504 1130426510 /nfs/dbraw/zinc/42/65/10/1130426510.db2.gz ZPBZBBCTOVFZGZ-UHFFFAOYSA-N 0 1 280.415 3.722 20 0 CHADMN CN1CCc2c(F)cc(-c3cccc4[nH]ccc43)cc2C1 ZINC001240713895 1130434561 /nfs/dbraw/zinc/43/45/61/1130434561.db2.gz GWFBVQHBGIJMHV-UHFFFAOYSA-N 0 1 280.346 3.962 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(C)nc2C)c(F)c1 ZINC000678597608 1130436636 /nfs/dbraw/zinc/43/66/36/1130436636.db2.gz FSIQTMZUBJRIAF-GFCCVEGCSA-N 0 1 288.366 3.697 20 0 CHADMN Cc1cc(CN[C@H]2CC[C@@H](C)c3ccccc32)ncn1 ZINC000678604216 1130439159 /nfs/dbraw/zinc/43/91/59/1130439159.db2.gz ASVNGRHXVLPGIT-PXAZEXFGSA-N 0 1 267.376 3.513 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc3c(s2)CCCC3)ncn1 ZINC000678605398 1130439902 /nfs/dbraw/zinc/43/99/02/1130439902.db2.gz PWDBDIMDSSDMNN-GFCCVEGCSA-N 0 1 287.432 3.576 20 0 CHADMN COc1c(F)ccc(F)c1-c1cnc2nc(C)[nH]c2c1C ZINC001240726462 1130441360 /nfs/dbraw/zinc/44/13/60/1130441360.db2.gz OUGXIBCMMOCJIE-UHFFFAOYSA-N 0 1 289.285 3.529 20 0 CHADMN Fc1ccc(F)c(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000678639281 1130442947 /nfs/dbraw/zinc/44/29/47/1130442947.db2.gz OVBHBMHADCZGBW-KGLIPLIRSA-N 0 1 295.373 3.603 20 0 CHADMN Fc1ccc(F)c(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000678639281 1130442950 /nfs/dbraw/zinc/44/29/50/1130442950.db2.gz OVBHBMHADCZGBW-KGLIPLIRSA-N 0 1 295.373 3.603 20 0 CHADMN Cc1ccc(C[N@H+]2CCc3ccccc3C2(C)C)nc1 ZINC000678639512 1130443649 /nfs/dbraw/zinc/44/36/49/1130443649.db2.gz IXFLVRWRXQXHHV-UHFFFAOYSA-N 0 1 266.388 3.683 20 0 CHADMN Cc1cccc2ccnc(NC[C@H]3CC(C)(C)O3)c12 ZINC001157664478 1130445213 /nfs/dbraw/zinc/44/52/13/1130445213.db2.gz UGNGSVDFHILPSF-CYBMUJFWSA-N 0 1 256.349 3.523 20 0 CHADMN CCO[C@H](C)n1cc(-c2ccc(C3=NCCC3)cc2)cn1 ZINC001240752986 1130454466 /nfs/dbraw/zinc/45/44/66/1130454466.db2.gz JLRXPGZKBWCSMI-CYBMUJFWSA-N 0 1 283.375 3.688 20 0 CHADMN CC1(CNC2(c3c(Cl)cccc3Cl)CC2)COC1 ZINC000678797510 1130457183 /nfs/dbraw/zinc/45/71/83/1130457183.db2.gz HKKZAXRPXQSLTN-UHFFFAOYSA-N 0 1 286.202 3.609 20 0 CHADMN Cc1ccc([C@@H](NCc2c[nH]nc2C)C2CCCC2)o1 ZINC000678807801 1130458151 /nfs/dbraw/zinc/45/81/51/1130458151.db2.gz LMWYKDBIVAHUCY-INIZCTEOSA-N 0 1 273.380 3.641 20 0 CHADMN FC(F)c1ccc(-c2cc(-n3ccnc3)ccn2)cc1 ZINC001240767319 1130462240 /nfs/dbraw/zinc/46/22/40/1130462240.db2.gz NMWILQVRHAQXSD-UHFFFAOYSA-N 0 1 271.270 3.872 20 0 CHADMN Cc1c(NCc2[nH]nc3ccccc32)cccc1N(C)C ZINC000678850300 1130463905 /nfs/dbraw/zinc/46/39/05/1130463905.db2.gz ACCSJQBVLQOMHB-UHFFFAOYSA-N 0 1 280.375 3.549 20 0 CHADMN C[C@H](CCc1ccccc1)CN1CCO[C@H](c2ccco2)C1 ZINC000678839985 1130464099 /nfs/dbraw/zinc/46/40/99/1130464099.db2.gz JDVLEFLKFZDBJM-APWZRJJASA-N 0 1 299.414 3.922 20 0 CHADMN CCCCc1noc(CN[C@@H](CC)C2CCCCC2)n1 ZINC000678897017 1130469263 /nfs/dbraw/zinc/46/92/63/1130469263.db2.gz RCBIJUSKZDMQFU-AWEZNQCLSA-N 0 1 279.428 3.861 20 0 CHADMN FC(F)(F)c1cncc(-c2nccc3[nH]ccc32)c1 ZINC001240788812 1130472507 /nfs/dbraw/zinc/47/25/07/1130472507.db2.gz LPDVVRBXOMEIBR-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN c1snnc1CNCCc1cccc(-c2ccccc2)c1 ZINC000678935697 1130475334 /nfs/dbraw/zinc/47/53/34/1130475334.db2.gz MPOLITLYRAZEFT-UHFFFAOYSA-N 0 1 295.411 3.537 20 0 CHADMN CC[C@H]1CCCCN1Cc1nc2c(s1)CCCC2 ZINC000678940370 1130475437 /nfs/dbraw/zinc/47/54/37/1130475437.db2.gz IBUSFOZPCFOOOL-LBPRGKRZSA-N 0 1 264.438 3.786 20 0 CHADMN C[C@@H](CNc1cnn(-c2ccncc2)c1)c1ccc(F)cc1 ZINC000678954725 1130478298 /nfs/dbraw/zinc/47/82/98/1130478298.db2.gz OOLARLJQPJVWPL-ZDUSSCGKSA-N 0 1 296.349 3.622 20 0 CHADMN C[C@H](NC1(c2ccc(F)cc2)CCC1)c1ccccn1 ZINC000679013041 1130483520 /nfs/dbraw/zinc/48/35/20/1130483520.db2.gz AMGDQPHNNGDQAZ-ZDUSSCGKSA-N 0 1 270.351 3.951 20 0 CHADMN FC(F)(F)c1ccc(-c2[nH]ccc3ncnc2-3)cc1 ZINC001240817616 1130485178 /nfs/dbraw/zinc/48/51/78/1130485178.db2.gz LQLZFSGTPSLTCH-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN FC(F)(F)c1ccc(-c2nccc3[nH]cnc32)cc1 ZINC001240817616 1130485182 /nfs/dbraw/zinc/48/51/82/1130485182.db2.gz LQLZFSGTPSLTCH-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN C[C@H](NC1CC(c2ccc(F)cc2)C1)c1cscn1 ZINC000679042547 1130486242 /nfs/dbraw/zinc/48/62/42/1130486242.db2.gz OYLDHMASKLXRSJ-JKDOVBDQSA-N 0 1 276.380 3.879 20 0 CHADMN C[C@H](NCc1cocn1)[C@H](C)c1nc2ccccc2s1 ZINC000679050033 1130487199 /nfs/dbraw/zinc/48/71/99/1130487199.db2.gz VQAXKCPCFFHVCU-QWRGUYRKSA-N 0 1 287.388 3.566 20 0 CHADMN C[C@@H](N[C@@H]1CCC(F)(F)C1)c1nc2c(s1)CCCC2 ZINC000679071810 1130490395 /nfs/dbraw/zinc/49/03/95/1130490395.db2.gz LKMGQIMJASPUOM-NXEZZACHSA-N 0 1 286.391 3.860 20 0 CHADMN Cc1cc(-c2ccc3nc(-c4ccccc4)[nH]c3c2)n(C)n1 ZINC001240859303 1130493958 /nfs/dbraw/zinc/49/39/58/1130493958.db2.gz BHFORICNWJCFEG-UHFFFAOYSA-N 0 1 288.354 3.939 20 0 CHADMN CC[C@H](Nc1cnn(-c2ccncc2)c1)c1ccc(F)cc1 ZINC000679127318 1130495109 /nfs/dbraw/zinc/49/51/09/1130495109.db2.gz LSSUXDRIHOTWOH-KRWDZBQOSA-N 0 1 296.349 3.970 20 0 CHADMN Cc1ccsc1[C@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000679125749 1130495478 /nfs/dbraw/zinc/49/54/78/1130495478.db2.gz AFYBOZPXZXNZTN-LBPRGKRZSA-N 0 1 284.388 3.810 20 0 CHADMN Fc1cccc2c1CC[C@H]2Nc1cnn(-c2ccncc2)c1 ZINC000679128804 1130496828 /nfs/dbraw/zinc/49/68/28/1130496828.db2.gz YTNGRXKORLRCHJ-QGZVFWFLSA-N 0 1 294.333 3.506 20 0 CHADMN CC[C@H]1CO[C@@H](C)CN1CCCOc1ccc(Cl)cc1 ZINC000679143544 1130497826 /nfs/dbraw/zinc/49/78/26/1130497826.db2.gz ITWNOJIUXXFJQF-ZFWWWQNUSA-N 0 1 297.826 3.608 20 0 CHADMN C[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1F ZINC000679228088 1130504768 /nfs/dbraw/zinc/50/47/68/1130504768.db2.gz VHBQXKZHUUHRKX-GXFFZTMASA-N 0 1 275.289 3.885 20 0 CHADMN S=c1nc2[nH]cnc(-c3cccc4cccnc43)c-2s1 ZINC001240892268 1130505782 /nfs/dbraw/zinc/50/57/82/1130505782.db2.gz HFHZAMMJDACVDS-UHFFFAOYSA-N 0 1 296.380 3.590 20 0 CHADMN CCc1cccc(F)c1CN[C@H](CCO)c1cccs1 ZINC000792992973 1130511133 /nfs/dbraw/zinc/51/11/33/1130511133.db2.gz QHVIWEWYNZOOOJ-OAHLLOKOSA-N 0 1 293.407 3.663 20 0 CHADMN O=C(c1cc(Cl)c2ccccc2c1O)N1CC=CCC1 ZINC000679324685 1130513786 /nfs/dbraw/zinc/51/37/86/1130513786.db2.gz BHFOAHVLBCEFKE-UHFFFAOYSA-N 0 1 287.746 3.601 20 0 CHADMN CSCc1ccc(-c2cc(F)cc(F)c2O)nc1 ZINC001243502348 1130515708 /nfs/dbraw/zinc/51/57/08/1130515708.db2.gz UPHHXPPYWNPRSL-UHFFFAOYSA-N 0 1 267.300 3.595 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2CC(C)(C)OC2(C)C)c(C)s1 ZINC000679359171 1130520664 /nfs/dbraw/zinc/52/06/64/1130520664.db2.gz KZFJCEPJDMPDTK-JOYOIKCWSA-N 0 1 282.453 3.757 20 0 CHADMN Fc1ccccc1-c1ccc(CN2CC=CCC2)o1 ZINC000679361215 1130521700 /nfs/dbraw/zinc/52/17/00/1130521700.db2.gz YAWBJSZVOYCAQR-UHFFFAOYSA-N 0 1 257.308 3.848 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NC1(c2ccc(Cl)cc2)CC1 ZINC000679361740 1130522281 /nfs/dbraw/zinc/52/22/81/1130522281.db2.gz GGLJCQAGNRRGLC-JTQLQIEISA-N 0 1 275.783 3.711 20 0 CHADMN CC(C)(C)c1ccc(CN2CCC(C)(F)CC2)[nH]1 ZINC001137372281 1130523086 /nfs/dbraw/zinc/52/30/86/1130523086.db2.gz PITHHTDRGJJLLV-UHFFFAOYSA-N 0 1 252.377 3.636 20 0 CHADMN CC(C)(C)OCc1ccc(-c2[nH]ccc3ncnc2-3)cc1 ZINC001240940620 1130525658 /nfs/dbraw/zinc/52/56/58/1130525658.db2.gz JMZZWBLMJOAHCW-UHFFFAOYSA-N 0 1 281.359 3.940 20 0 CHADMN CC(C)(C)OCc1ccc(-c2nccc3[nH]cnc32)cc1 ZINC001240940620 1130525660 /nfs/dbraw/zinc/52/56/60/1130525660.db2.gz JMZZWBLMJOAHCW-UHFFFAOYSA-N 0 1 281.359 3.940 20 0 CHADMN COCc1ccc(-c2cccc(CN(C)C)c2F)cc1 ZINC001240954821 1130533710 /nfs/dbraw/zinc/53/37/10/1130533710.db2.gz WGQAMDVHRSPHBB-UHFFFAOYSA-N 0 1 273.351 3.701 20 0 CHADMN CCC1(CC)CCCN(Cc2coc(C3CC3)n2)C1 ZINC000827265575 1130534786 /nfs/dbraw/zinc/53/47/86/1130534786.db2.gz LBZRAPMWMOYAOG-UHFFFAOYSA-N 0 1 262.397 3.954 20 0 CHADMN CCc1nc(CN(C)C[C@@H]2CCc3ccccc32)cs1 ZINC000679535352 1130536718 /nfs/dbraw/zinc/53/67/18/1130536718.db2.gz QASIONGDSLQEPL-AWEZNQCLSA-N 0 1 286.444 3.867 20 0 CHADMN COc1cc(F)c(-c2ccc(CN(C)C)c(F)c2)cc1F ZINC001240959790 1130537831 /nfs/dbraw/zinc/53/78/31/1130537831.db2.gz LTDHUSTXUDPRQA-UHFFFAOYSA-N 0 1 295.304 3.841 20 0 CHADMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(F)cc1 ZINC000679547230 1130539901 /nfs/dbraw/zinc/53/99/01/1130539901.db2.gz ZZIJVFSBVFNENN-ZYHUDNBSSA-N 0 1 275.289 3.989 20 0 CHADMN COCC[C@H](N[C@@H](C)c1ccc(C)nc1C)c1ccco1 ZINC000679575371 1130541183 /nfs/dbraw/zinc/54/11/83/1130541183.db2.gz OQHRUMFANKTPIW-HOCLYGCPSA-N 0 1 288.391 3.720 20 0 CHADMN C=Cc1ccc(CNc2nc(Cl)nc3[nH]c(C)nc32)cc1 ZINC001157771322 1130541411 /nfs/dbraw/zinc/54/14/11/1130541411.db2.gz MQOOVGSPLABNPM-UHFFFAOYSA-N 0 1 299.765 3.521 20 0 CHADMN Cc1ccc(Br)c(CN2CCC3(CC3)C2)c1 ZINC001137382490 1130547178 /nfs/dbraw/zinc/54/71/78/1130547178.db2.gz YLJGTJJZPRFGHH-UHFFFAOYSA-N 0 1 280.209 3.743 20 0 CHADMN CC[C@H](C)[C@@H](C)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000679636817 1130548725 /nfs/dbraw/zinc/54/87/25/1130548725.db2.gz XDYGGBSHZHERQL-VHSXEESVSA-N 0 1 293.798 3.515 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1cc(F)c(F)c(F)c1 ZINC001240980708 1130548820 /nfs/dbraw/zinc/54/88/20/1130548820.db2.gz ZLKJGVNVPRFKFN-UHFFFAOYSA-N 0 1 262.234 3.956 20 0 CHADMN Fc1ccc(/C=C\CN2CCC[C@H](OC(F)F)C2)cc1 ZINC000679741197 1130554238 /nfs/dbraw/zinc/55/42/38/1130554238.db2.gz WUUZVSHTYMDUAV-VXYRWZGASA-N 0 1 285.309 3.543 20 0 CHADMN CN(C)c1ccc(-c2ccnc(-c3ccccc3O)n2)cc1 ZINC001241007506 1130562247 /nfs/dbraw/zinc/56/22/47/1130562247.db2.gz FARWPTLMUZXPMM-UHFFFAOYSA-N 0 1 291.354 3.582 20 0 CHADMN Cc1ccc(-c2nc(F)nc3nc[nH]c32)c2ccccc12 ZINC001241005317 1130562663 /nfs/dbraw/zinc/56/26/63/1130562663.db2.gz XPDFLNKXERKQKN-UHFFFAOYSA-N 0 1 278.290 3.621 20 0 CHADMN FC(F)(F)C1=CCN(Cc2cccc3cnccc32)CC1 ZINC000679990832 1130567613 /nfs/dbraw/zinc/56/76/13/1130567613.db2.gz ZYIMUDPGYPWHQA-UHFFFAOYSA-N 0 1 292.304 3.929 20 0 CHADMN Fc1cccc2c1CN(Cc1cccc3cnccc31)CC2 ZINC000679987594 1130568251 /nfs/dbraw/zinc/56/82/51/1130568251.db2.gz ALLJHGKZEGVWRB-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@H](C)c1cc(C)nn1C ZINC000793567724 1130571015 /nfs/dbraw/zinc/57/10/15/1130571015.db2.gz PLCQERHIGAZYBE-QWHCGFSZSA-N 0 1 289.448 3.862 20 0 CHADMN C[C@@H]1CCC[C@@H](CCOC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000757999108 1130593359 /nfs/dbraw/zinc/59/33/59/1130593359.db2.gz YXOHSVPWNPKARP-HZSPNIEDSA-N 0 1 290.407 3.589 20 0 CHADMN O=C1CCN(Cc2c[nH]c3ccccc23)[C@@H]2CCCC[C@H]12 ZINC001204041769 1130593901 /nfs/dbraw/zinc/59/39/01/1130593901.db2.gz ZCWQYXBBBLOLAM-DOTOQJQBSA-N 0 1 282.387 3.502 20 0 CHADMN Cc1cnc(=S)n(CN(C)[C@@H]2CCCc3ccccc32)c1 ZINC000758289339 1130604756 /nfs/dbraw/zinc/60/47/56/1130604756.db2.gz JXQGNRHRBULWNZ-MRXNPFEDSA-N 0 1 299.443 3.888 20 0 CHADMN Cc1cnc(=S)n(CN(CC2CCCCC2)C2CC2)c1 ZINC000758307036 1130605180 /nfs/dbraw/zinc/60/51/80/1130605180.db2.gz OJWJIPMWRBIXOE-UHFFFAOYSA-N 0 1 291.464 3.923 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cn1cc(C)cnc1=S ZINC000758338965 1130606069 /nfs/dbraw/zinc/60/60/69/1130606069.db2.gz GVUAIOUSTFDFQG-ZIAGYGMSSA-N 0 1 279.453 3.779 20 0 CHADMN CN(C)c1ccnc(Cl)c1CN1CCC12CCCCC2 ZINC001234102907 1130608119 /nfs/dbraw/zinc/60/81/19/1130608119.db2.gz AJIHZLNUXAMGCF-UHFFFAOYSA-N 0 1 293.842 3.710 20 0 CHADMN CN(Cc1ccnc(Cl)c1Cl)CC(C)(C)C ZINC000811457803 1130610850 /nfs/dbraw/zinc/61/08/50/1130610850.db2.gz NQFPXENFJDYQNN-UHFFFAOYSA-N 0 1 261.196 3.866 20 0 CHADMN CC(C)[C@@H]1CCN1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000759068580 1130634700 /nfs/dbraw/zinc/63/47/00/1130634700.db2.gz FQKVASOGXWYSKC-KBPBESRZSA-N 0 1 288.218 3.757 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1cccc(Cl)c1)C(F)(F)F ZINC000441149017 1130635409 /nfs/dbraw/zinc/63/54/09/1130635409.db2.gz PCDVBDHDUDVBBY-SECBINFHSA-N 0 1 265.706 3.970 20 0 CHADMN C[C@@H](CN1CCSC[C@@H]1c1ccccc1)C(F)(F)F ZINC000441170905 1130637694 /nfs/dbraw/zinc/63/76/94/1130637694.db2.gz NWFXNXNZBZMBCG-WCQYABFASA-N 0 1 289.366 3.975 20 0 CHADMN Cc1nc(-c2cc(F)cc(N(C)C)c2)cc2[nH]ccc21 ZINC001244798690 1130640858 /nfs/dbraw/zinc/64/08/58/1130640858.db2.gz LUPAWIOHURPZBC-UHFFFAOYSA-N 0 1 269.323 3.743 20 0 CHADMN CCC(=CC(=O)NC[C@H](c1ccco1)N(CC)CC)CC ZINC000759171518 1130640907 /nfs/dbraw/zinc/64/09/07/1130640907.db2.gz HLSUEYFSLDNQFR-OAHLLOKOSA-N 0 1 292.423 3.525 20 0 CHADMN CC(C)N(CCF)Cc1ccc(Br)cc1 ZINC000759330084 1130649885 /nfs/dbraw/zinc/64/98/85/1130649885.db2.gz BSORSVSLYLUULE-UHFFFAOYSA-N 0 1 274.177 3.629 20 0 CHADMN CCO[C@@H]1C[C@@H](NCc2ncc(C(C)C)o2)C1(CC)CC ZINC000759436258 1130658288 /nfs/dbraw/zinc/65/82/88/1130658288.db2.gz LCPHVBLJQMBOBN-HUUCEWRRSA-N 0 1 294.439 3.871 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2ncc(C(C)C)o2)C1(CC)CC ZINC000759436253 1130658336 /nfs/dbraw/zinc/65/83/36/1130658336.db2.gz LCPHVBLJQMBOBN-CABCVRRESA-N 0 1 294.439 3.871 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C=C3CCCC3)c2C)o1 ZINC000771667296 1130673200 /nfs/dbraw/zinc/67/32/00/1130673200.db2.gz KGIWHBNGNYIKAT-UHFFFAOYSA-N 0 1 285.347 3.725 20 0 CHADMN CCCCC[C@@](C)(CC)C(=O)N1CCN(CC2CC2)CC1 ZINC000780405769 1130679464 /nfs/dbraw/zinc/67/94/64/1130679464.db2.gz PONZVFCEWUMPFL-GOSISDBHSA-N 0 1 294.483 3.537 20 0 CHADMN O=C(Nc1cc(C2CC2)ccn1)c1c(O)cccc1Cl ZINC000812359561 1130684206 /nfs/dbraw/zinc/68/42/06/1130684206.db2.gz LDTNLGZMZPQKFI-UHFFFAOYSA-N 0 1 288.734 3.570 20 0 CHADMN CCOC(OCC)c1ccc(CN2CCC[C@H](F)C2)cc1 ZINC001234882690 1130687899 /nfs/dbraw/zinc/68/78/99/1130687899.db2.gz BLVOWLWZXOIJCH-INIZCTEOSA-N 0 1 295.398 3.692 20 0 CHADMN CC[C@H](C)[C@H](C(=O)NOC/C=C\Cl)c1ccccc1 ZINC000812399086 1130688311 /nfs/dbraw/zinc/68/83/11/1130688311.db2.gz HLQINZTYOSNXFW-MLUWSWGYSA-N 0 1 281.783 3.617 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@@H](C)c1ccc(F)cn1)CCC2 ZINC000780745507 1130689933 /nfs/dbraw/zinc/68/99/33/1130689933.db2.gz JPIPCHWRSWFEDW-ZANVPECISA-N 0 1 291.395 3.714 20 0 CHADMN Cc1nnc(CN[C@@H](C)CCC2CCCCC2)s1 ZINC000780743753 1130690162 /nfs/dbraw/zinc/69/01/62/1130690162.db2.gz IQNRCZRURGFCCM-NSHDSACASA-N 0 1 267.442 3.685 20 0 CHADMN CN1CCC[C@H](Oc2cc(Cl)cc(Cl)c2F)C1 ZINC001234928155 1130692954 /nfs/dbraw/zinc/69/29/54/1130692954.db2.gz ZQQZGEYSOVTPRB-VIFPVBQESA-N 0 1 278.154 3.606 20 0 CHADMN CN(Cc1c[nH]c(-c2ccccc2F)c1)Cc1ccncc1 ZINC001235035002 1130702725 /nfs/dbraw/zinc/70/27/25/1130702725.db2.gz IWSKSDLASLBQGV-UHFFFAOYSA-N 0 1 295.361 3.848 20 0 CHADMN CC1(C)CN(Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001235036505 1130704725 /nfs/dbraw/zinc/70/47/25/1130704725.db2.gz UYYWBMIWFVBSLI-UHFFFAOYSA-N 0 1 258.340 3.663 20 0 CHADMN Cc1cscc1C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001133402784 1130707374 /nfs/dbraw/zinc/70/73/74/1130707374.db2.gz VTJCDUJVPUXGSZ-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C=C(C2CC2)C2CC2)c1 ZINC000812705948 1130708187 /nfs/dbraw/zinc/70/81/87/1130708187.db2.gz GTDCQNGAZTWIJR-UHFFFAOYSA-N 0 1 299.370 3.670 20 0 CHADMN CC(C)(C(=O)NOC1CCC1)c1ccc2ccccc2c1 ZINC000812788183 1130714204 /nfs/dbraw/zinc/71/42/04/1130714204.db2.gz IFIIYCQZOSJRLA-UHFFFAOYSA-N 0 1 283.371 3.718 20 0 CHADMN COC[C@H]1CCN(Cc2c(Cl)cc(C)cc2Cl)C1 ZINC001235177726 1130718615 /nfs/dbraw/zinc/71/86/15/1130718615.db2.gz TVUXKTSSVQHCHZ-NSHDSACASA-N 0 1 288.218 3.770 20 0 CHADMN Cc1cc(F)c(CN(C)CC2CCCC2)c(F)c1 ZINC001235199771 1130722135 /nfs/dbraw/zinc/72/21/35/1130722135.db2.gz WLQFECFQQVITQX-UHFFFAOYSA-N 0 1 253.336 3.895 20 0 CHADMN Cc1cc(F)c(CN2CC3CCC2CC3)c(F)c1 ZINC001235196243 1130722777 /nfs/dbraw/zinc/72/27/77/1130722777.db2.gz BILNGPYYWXIUCY-UHFFFAOYSA-N 0 1 251.320 3.648 20 0 CHADMN CCc1cccc(CN(CC)Cc2ccc(OC)cc2)n1 ZINC001235263087 1130730314 /nfs/dbraw/zinc/73/03/14/1130730314.db2.gz IFEPIGUSSLHPMR-UHFFFAOYSA-N 0 1 284.403 3.675 20 0 CHADMN Cc1cnc(F)c(CN2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001235339715 1130733825 /nfs/dbraw/zinc/73/38/25/1130733825.db2.gz OVCKSGRXDDBWGA-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN COc1cc(C[N@H+]2CCC[C@@H]2C(C)C)cc(F)c1F ZINC001235436114 1130744017 /nfs/dbraw/zinc/74/40/17/1130744017.db2.gz CBXKOVFIQADCMC-CYBMUJFWSA-N 0 1 269.335 3.594 20 0 CHADMN COc1cncc(CN2Cc3ccccc3C(C)(C)C2)c1C ZINC001235470124 1130747530 /nfs/dbraw/zinc/74/75/30/1130747530.db2.gz JEOGAFCOPTXQFN-UHFFFAOYSA-N 0 1 296.414 3.692 20 0 CHADMN Fc1cncc(CN2CC[C@@H](c3ccccc3)C2)c1Cl ZINC001235487276 1130748782 /nfs/dbraw/zinc/74/87/82/1130748782.db2.gz DAKZRLNVTZUZNS-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1c(F)ccc(F)c1C ZINC001244983636 1130751961 /nfs/dbraw/zinc/75/19/61/1130751961.db2.gz ZBUKQKCAMPUYII-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN Cc1ccnc(CN(C)CC2CCCC2)c1Cl ZINC001235588613 1130756961 /nfs/dbraw/zinc/75/69/61/1130756961.db2.gz NSWAUIFCGYZQSZ-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1ccccc1-c1ccncc1)C2 ZINC001235617217 1130759009 /nfs/dbraw/zinc/75/90/09/1130759009.db2.gz AMGSQUUVPLZRRF-HKUYNNGSSA-N 0 1 294.398 3.502 20 0 CHADMN CC[C@H]1CCCN(Cc2c(C)cncc2Br)C1 ZINC001235642438 1130760214 /nfs/dbraw/zinc/76/02/14/1130760214.db2.gz NSEVIKUBGDLTGJ-LBPRGKRZSA-N 0 1 297.240 3.775 20 0 CHADMN CC(C)(C)OC(=O)n1cccc1CN1CCCCC12CC2 ZINC001235642699 1130761191 /nfs/dbraw/zinc/76/11/91/1130761191.db2.gz NSIYXLQHZSDMJM-UHFFFAOYSA-N 0 1 290.407 3.790 20 0 CHADMN Cc1cncc(Br)c1CN(CC1CC1)C(C)C ZINC001235646706 1130762869 /nfs/dbraw/zinc/76/28/69/1130762869.db2.gz IWKNGKXLNSOAFJ-UHFFFAOYSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1nc(CSc2nc(-c3ccccc3)cs2)n[nH]1 ZINC000813567806 1130775801 /nfs/dbraw/zinc/77/58/01/1130775801.db2.gz DCMNFPUCNCEYMW-UHFFFAOYSA-N 0 1 288.401 3.529 20 0 CHADMN CCc1ccccc1C[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000782474791 1130779272 /nfs/dbraw/zinc/77/92/72/1130779272.db2.gz MHIPOSRZSKALHO-QGZVFWFLSA-N 0 1 270.376 3.883 20 0 CHADMN CCc1ccccc1CN1CCC[C@@H]1c1cc(C)on1 ZINC000782474791 1130779276 /nfs/dbraw/zinc/77/92/76/1130779276.db2.gz MHIPOSRZSKALHO-QGZVFWFLSA-N 0 1 270.376 3.883 20 0 CHADMN CCOc1cc(C[N@H+]2C[C@H](C)CC23CC3)ccc1F ZINC001235804977 1130782311 /nfs/dbraw/zinc/78/23/11/1130782311.db2.gz FQBUHMMRMCNEAT-GFCCVEGCSA-N 0 1 263.356 3.599 20 0 CHADMN COc1nccc(CN2CCCCCCC2)c1Cl ZINC001235843394 1130787278 /nfs/dbraw/zinc/78/72/78/1130787278.db2.gz YBFKPAIAVXLYJC-UHFFFAOYSA-N 0 1 268.788 3.510 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2cccc(Br)n2)C1 ZINC000694469305 1130787387 /nfs/dbraw/zinc/78/73/87/1130787387.db2.gz OFWJZBKCVYCRFF-GFCCVEGCSA-N 0 1 297.240 3.712 20 0 CHADMN O=C(OCCCc1ccsc1)c1c(F)cc(O)cc1F ZINC000783164907 1130799376 /nfs/dbraw/zinc/79/93/76/1130799376.db2.gz SKVBHPWVCGTNBT-UHFFFAOYSA-N 0 1 298.310 3.522 20 0 CHADMN CCOCOc1ccc(CN(C)Cc2ccc(C)o2)cc1 ZINC000783386084 1130820784 /nfs/dbraw/zinc/82/07/84/1130820784.db2.gz RSBQIFMZNQZKPY-UHFFFAOYSA-N 0 1 289.375 3.593 20 0 CHADMN Cc1cccc2ncnc(-c3c(F)cc(F)c(O)c3F)c12 ZINC001235983449 1130823872 /nfs/dbraw/zinc/82/38/72/1130823872.db2.gz ALPHBZSYIGOYOU-UHFFFAOYSA-N 0 1 290.244 3.728 20 0 CHADMN CCCc1cc(-c2c(F)cc(F)c(O)c2F)nc(C)n1 ZINC001235990141 1130824496 /nfs/dbraw/zinc/82/44/96/1130824496.db2.gz OBTARBALTGFZCO-UHFFFAOYSA-N 0 1 282.265 3.527 20 0 CHADMN CC(C)(C)c1cc(-c2c(F)cc(F)c(O)c2F)ncn1 ZINC001235990818 1130825436 /nfs/dbraw/zinc/82/54/36/1130825436.db2.gz QISOSYOCBXWUDK-UHFFFAOYSA-N 0 1 282.265 3.564 20 0 CHADMN Oc1c(F)cc(F)c(-c2cnc3occc3c2)c1F ZINC001235998822 1130826609 /nfs/dbraw/zinc/82/66/09/1130826609.db2.gz PPELICVPDUYVFZ-UHFFFAOYSA-N 0 1 265.190 3.618 20 0 CHADMN COC(OC)c1ccc(-c2c(F)cc(F)c(O)c2F)cc1 ZINC001235999926 1130826833 /nfs/dbraw/zinc/82/68/33/1130826833.db2.gz BMMVJXBBISWHLA-UHFFFAOYSA-N 0 1 298.260 3.768 20 0 CHADMN Cn1ccc2c1cccc2-c1c(F)cc(F)c(O)c1F ZINC001235997683 1130826847 /nfs/dbraw/zinc/82/68/47/1130826847.db2.gz GSAMBWGTAKLKHF-UHFFFAOYSA-N 0 1 277.245 3.968 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc(-c3c[nH]cn3)cc2)c1F ZINC001235999228 1130826876 /nfs/dbraw/zinc/82/68/76/1130826876.db2.gz AUPJOKJSJMYRKJ-UHFFFAOYSA-N 0 1 290.244 3.867 20 0 CHADMN [O-]c1c(Cl)cc(C[NH+]2CCCCC2)cc1Cl ZINC000145798041 1130827260 /nfs/dbraw/zinc/82/72/60/1130827260.db2.gz JYCGVNIQLRMYHA-UHFFFAOYSA-N 0 1 260.164 3.685 20 0 CHADMN CC(C)Oc1cc(-c2c(F)cc(F)c(O)c2F)ccn1 ZINC001235996601 1130827073 /nfs/dbraw/zinc/82/70/73/1130827073.db2.gz WMNFYNOFRRTDAS-UHFFFAOYSA-N 0 1 283.249 3.659 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc(-n3ccnc3)cc2)c1F ZINC001235997377 1130827432 /nfs/dbraw/zinc/82/74/32/1130827432.db2.gz CWFVLAPYIFNOML-UHFFFAOYSA-N 0 1 290.244 3.662 20 0 CHADMN CCOc1cc(OC)cc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001236001319 1130829004 /nfs/dbraw/zinc/82/90/04/1130829004.db2.gz WJLKIQYVYLFDIE-UHFFFAOYSA-N 0 1 298.260 3.884 20 0 CHADMN COc1cc(C)ccc1-c1c(F)cc(F)c(O)c1F ZINC001236002305 1130829482 /nfs/dbraw/zinc/82/94/82/1130829482.db2.gz MRDTZCUAZWISHT-UHFFFAOYSA-N 0 1 268.234 3.794 20 0 CHADMN Cc1ccc(N(C)C)cc1-c1c(F)cc(F)c(O)c1F ZINC001236001060 1130829895 /nfs/dbraw/zinc/82/98/95/1130829895.db2.gz SDHACHJRYVKYGT-UHFFFAOYSA-N 0 1 281.277 3.851 20 0 CHADMN CCc1nn(C)c(Cl)c1CN1CC2(CCC2)[C@H]1C(C)C ZINC000814171598 1130833101 /nfs/dbraw/zinc/83/31/01/1130833101.db2.gz RJQHHYKAHMCGRI-CQSZACIVSA-N 0 1 295.858 3.646 20 0 CHADMN CC(C)C(N)=NOCCc1ccc2ccccc2c1 ZINC000783568641 1130839736 /nfs/dbraw/zinc/83/97/36/1130839736.db2.gz ZVIZYCUVEBLBMC-UHFFFAOYSA-N 0 1 256.349 3.537 20 0 CHADMN COCOc1ccc(F)cc1-c1cc2nc[nH]c2c(C)c1 ZINC001236069020 1130847666 /nfs/dbraw/zinc/84/76/66/1130847666.db2.gz CDNIHXDBJDGHIL-UHFFFAOYSA-N 0 1 286.306 3.660 20 0 CHADMN CCc1nn(C)c(Cl)c1CN1CCCC2(CCCC2)C1 ZINC000783746011 1130852074 /nfs/dbraw/zinc/85/20/74/1130852074.db2.gz UBPXWVGELQLPTP-UHFFFAOYSA-N 0 1 295.858 3.792 20 0 CHADMN c1cn(-c2ccnc(-c3cccc(C4CC4)c3)c2)cn1 ZINC001236084898 1130852930 /nfs/dbraw/zinc/85/29/30/1130852930.db2.gz ZXJACUYOSQJBMH-UHFFFAOYSA-N 0 1 261.328 3.812 20 0 CHADMN Cc1c(Cl)c(-c2c[nH+]cc3cc[nH]c32)ccc1C(=O)[O-] ZINC001236121852 1130869026 /nfs/dbraw/zinc/86/90/26/1130869026.db2.gz ZWKRLBSYIGSNIQ-UHFFFAOYSA-N 0 1 286.718 3.890 20 0 CHADMN Cc1cc(-c2cccnc2N2CCCC2)cc2nc[nH]c21 ZINC001236123213 1130870329 /nfs/dbraw/zinc/87/03/29/1130870329.db2.gz OUKWTEQDRAMJJJ-UHFFFAOYSA-N 0 1 278.359 3.534 20 0 CHADMN Nc1cccc(CN2CCC[C@@H]2c2ccc(F)cc2F)c1 ZINC001236131114 1130871806 /nfs/dbraw/zinc/87/18/06/1130871806.db2.gz UOTOHTYGPOOPSE-QGZVFWFLSA-N 0 1 288.341 3.884 20 0 CHADMN CC(C)(C)c1nnc(COC(=O)CC2CCCCCC2)[nH]1 ZINC000814458728 1130875440 /nfs/dbraw/zinc/87/54/40/1130875440.db2.gz WUDNNUAOEDKCQC-UHFFFAOYSA-N 0 1 293.411 3.506 20 0 CHADMN CC(C)(C)c1nc(COC(=O)CC2CCCCCC2)n[nH]1 ZINC000814458728 1130875448 /nfs/dbraw/zinc/87/54/48/1130875448.db2.gz WUDNNUAOEDKCQC-UHFFFAOYSA-N 0 1 293.411 3.506 20 0 CHADMN COc1cc(C)cc(F)c1-c1ccc2[nH]cnc2c1 ZINC001236221664 1130895419 /nfs/dbraw/zinc/89/54/19/1130895419.db2.gz KZYCEYJQFLFXET-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CC(C)(C)c1cc(CN2CCc3ccc(N)cc3C2)ccn1 ZINC001236234224 1130900379 /nfs/dbraw/zinc/90/03/79/1130900379.db2.gz YMWNCIYBZCUONQ-UHFFFAOYSA-N 0 1 295.430 3.520 20 0 CHADMN FC(F)(F)[C@@H]1CC=C(c2cc3[nH]cnc3cn2)CC1 ZINC001236243262 1130903480 /nfs/dbraw/zinc/90/34/80/1130903480.db2.gz ANMJLLKUJJBASN-SECBINFHSA-N 0 1 267.254 3.704 20 0 CHADMN CC/C(C)=C(/C)C(=O)Nc1ccccc1-c1cn[nH]c1 ZINC000784478805 1130905216 /nfs/dbraw/zinc/90/52/16/1130905216.db2.gz ACHGWJKATAGNRR-QXMHVHEDSA-N 0 1 269.348 3.762 20 0 CHADMN CC(C)[C@H](F)C(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000784504513 1130907708 /nfs/dbraw/zinc/90/77/08/1130907708.db2.gz IVWLUZCBLULSJY-UFBFGSQYSA-N 0 1 298.745 3.815 20 0 CHADMN CC(C)C(=O)Nc1ccc(-c2cc3[nH]ccc3cn2)cc1 ZINC001236257836 1130908290 /nfs/dbraw/zinc/90/82/90/1130908290.db2.gz NCSQTSGMSGAMCZ-UHFFFAOYSA-N 0 1 279.343 3.824 20 0 CHADMN CC1(C)Cc2cc(N[C@@H]3CCCc4[nH]ncc43)ccc2O1 ZINC000796921278 1130945556 /nfs/dbraw/zinc/94/55/56/1130945556.db2.gz BZOUDIDLYONHHG-CQSZACIVSA-N 0 1 283.375 3.613 20 0 CHADMN C[C@H]1CCCCCN1Cc1ccnc(Br)c1 ZINC000815047206 1130952936 /nfs/dbraw/zinc/95/29/36/1130952936.db2.gz BZLCNIXKCYPLCT-NSHDSACASA-N 0 1 283.213 3.609 20 0 CHADMN C[C@@H](CN(C)Cc1ncc(Cl)n1C)C1CCCCC1 ZINC000815086756 1130957667 /nfs/dbraw/zinc/95/76/67/1130957667.db2.gz URCVMEMBLMPEOH-LBPRGKRZSA-N 0 1 283.847 3.722 20 0 CHADMN Cc1nc2cccc(-c3ccc(C)c4n[nH]cc43)c2[nH]1 ZINC001236496975 1130958383 /nfs/dbraw/zinc/95/83/83/1130958383.db2.gz XOZDMUGEXXYDEL-UHFFFAOYSA-N 0 1 262.316 3.723 20 0 CHADMN Cc1ccc(-c2cccc(CN(C)C)c2F)c2c[nH]nc21 ZINC001236505226 1130959132 /nfs/dbraw/zinc/95/91/32/1130959132.db2.gz DDUIGKLFXWKNEX-UHFFFAOYSA-N 0 1 283.350 3.739 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2ccnc(Br)c2)C1 ZINC000815099427 1130960611 /nfs/dbraw/zinc/96/06/11/1130960611.db2.gz VPYAPWCFHIYSQJ-ZDUSSCGKSA-N 0 1 297.240 3.712 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2ccnc(Br)c2)C1 ZINC000815099950 1130960874 /nfs/dbraw/zinc/96/08/74/1130960874.db2.gz IZPMDCSOFAWLRW-UTUOFQBUSA-N 0 1 297.240 3.711 20 0 CHADMN CCOCOc1ccc(CNc2cc3c(cn2)CCC3)cc1 ZINC000815158840 1130963477 /nfs/dbraw/zinc/96/34/77/1130963477.db2.gz BRAANQZHXVGNRP-UHFFFAOYSA-N 0 1 298.386 3.555 20 0 CHADMN CCOc1ccc(C)c(F)c1-c1ccc(-c2nnc[nH]2)cc1 ZINC001236538375 1130968196 /nfs/dbraw/zinc/96/81/96/1130968196.db2.gz UPVMEDFXURGCNA-UHFFFAOYSA-N 0 1 297.333 3.985 20 0 CHADMN Cc1cc(C)c(Cl)c(-c2nccc3[nH]cnc32)c1 ZINC001236544818 1130970005 /nfs/dbraw/zinc/97/00/05/1130970005.db2.gz BJFPWFVWQOOACH-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN Cc1ccc(F)cc1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159309897 1130973140 /nfs/dbraw/zinc/97/31/40/1130973140.db2.gz ZBXYXFLXPNGEGO-LBPRGKRZSA-N 0 1 275.327 3.680 20 0 CHADMN COc1ccc(C2=CC[N@@H+](Cc3oc(C)nc3C)CC2)cc1 ZINC001236597224 1130982701 /nfs/dbraw/zinc/98/27/01/1130982701.db2.gz PKGGEXMTHYEHAQ-UHFFFAOYSA-N 0 1 298.386 3.589 20 0 CHADMN COc1ccc(C2=CCN(Cc3oc(C)nc3C)CC2)cc1 ZINC001236597224 1130982704 /nfs/dbraw/zinc/98/27/04/1130982704.db2.gz PKGGEXMTHYEHAQ-UHFFFAOYSA-N 0 1 298.386 3.589 20 0 CHADMN Fc1cc(CN2CCC[C@H](C(F)F)C2)c2c(c1)CCCO2 ZINC001236629649 1130985857 /nfs/dbraw/zinc/98/58/57/1130985857.db2.gz MQCXCRQUDUMIAU-LBPRGKRZSA-N 0 1 299.336 3.628 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(Cl)cc(C)n2)C1 ZINC001236644795 1130988587 /nfs/dbraw/zinc/98/85/87/1130988587.db2.gz XLRAHCBESQCTPO-LBPRGKRZSA-N 0 1 252.789 3.665 20 0 CHADMN Cc1cc(Cl)cc(CN2CC[C@H](C)C[C@H]2C)n1 ZINC001236642383 1130988716 /nfs/dbraw/zinc/98/87/16/1130988716.db2.gz FOMKGBHQROXBHA-CMPLNLGQSA-N 0 1 252.789 3.664 20 0 CHADMN COc1ccc2sc(CN3CC(C(F)F)C3)cc2c1 ZINC001236659128 1130989657 /nfs/dbraw/zinc/98/96/57/1130989657.db2.gz KMSLECUUUBHEGP-UHFFFAOYSA-N 0 1 283.343 3.607 20 0 CHADMN COc1ccc2sc(CN3CCC[C@@H]3CF)cc2c1 ZINC001236659456 1130989702 /nfs/dbraw/zinc/98/97/02/1130989702.db2.gz MMHHWSCOYRKIFZ-GFCCVEGCSA-N 0 1 279.380 3.844 20 0 CHADMN COc1ccc2sc(CN3C[C@@H]4C[C@@H]4[C@@H](F)C3)cc2c1 ZINC001236656893 1130990035 /nfs/dbraw/zinc/99/00/35/1130990035.db2.gz YLFWTBCROJYRBI-CQDKDKBSSA-N 0 1 291.391 3.700 20 0 CHADMN [O-]c1cc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)ccc1F ZINC001236706732 1130995852 /nfs/dbraw/zinc/99/58/52/1130995852.db2.gz XLYMQFJSUGQPSL-MRXNPFEDSA-N 0 1 299.389 3.986 20 0 CHADMN [O-]c1cc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)ccc1F ZINC001236706732 1130995857 /nfs/dbraw/zinc/99/58/57/1130995857.db2.gz XLYMQFJSUGQPSL-MRXNPFEDSA-N 0 1 299.389 3.986 20 0 CHADMN Oc1cc(CN(Cc2ccccc2)C2CC2)ccc1F ZINC001236709794 1130997869 /nfs/dbraw/zinc/99/78/69/1130997869.db2.gz IEWRUDHGFHSBMD-UHFFFAOYSA-N 0 1 271.335 3.696 20 0 CHADMN Oc1cc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)ccc1F ZINC001236711693 1130998119 /nfs/dbraw/zinc/99/81/19/1130998119.db2.gz UFSFLZFTQKQUBJ-CQSZACIVSA-N 0 1 289.325 3.660 20 0 CHADMN Cc1c(F)ccc(CN2CCC[C@@]23CCOC3)c1Cl ZINC001236719881 1130999300 /nfs/dbraw/zinc/99/93/00/1130999300.db2.gz VEDQLJHTTSMVQA-HNNXBMFYSA-N 0 1 283.774 3.542 20 0 CHADMN O=C1CCN(Cc2cccc3occc32)[C@H]2CCCC[C@H]12 ZINC001236733573 1131000364 /nfs/dbraw/zinc/00/03/64/1131000364.db2.gz ARWAHFYINHQARR-HOTGVXAUSA-N 0 1 283.371 3.766 20 0 CHADMN Cc1nc2c(s1)CN(Cc1cccc3ccoc31)CC2 ZINC001236738827 1131003456 /nfs/dbraw/zinc/00/34/56/1131003456.db2.gz UBVPPPAVKCMEHK-UHFFFAOYSA-N 0 1 284.384 3.756 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2CCC3(CC3)CC2)c1 ZINC001236770504 1131003957 /nfs/dbraw/zinc/00/39/57/1131003957.db2.gz SOGYVSSBPHPSHF-UHFFFAOYSA-N 0 1 293.794 3.503 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2CCC[C@H](C)[C@H]2C)c1 ZINC001236771812 1131004018 /nfs/dbraw/zinc/00/40/18/1131004018.db2.gz LPMQRDBVBMTYJM-NWDGAFQWSA-N 0 1 295.810 3.747 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1ccc(F)cn1 ZINC000815589534 1131005477 /nfs/dbraw/zinc/00/54/77/1131005477.db2.gz WGTRZNKSAADZLR-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)N[C@@H](CCO)c1ccco1 ZINC000815617399 1131009445 /nfs/dbraw/zinc/00/94/45/1131009445.db2.gz MMTUIHPFPQWAEP-WFASDCNBSA-N 0 1 277.339 3.501 20 0 CHADMN C[C@H](NCc1cccnc1F)c1cccc(C2CC2)c1 ZINC000815621915 1131010972 /nfs/dbraw/zinc/01/09/72/1131010972.db2.gz HFUZXYSXAABOFZ-LBPRGKRZSA-N 0 1 270.351 3.949 20 0 CHADMN Cc1cc(Br)sc1CN1CCC[C@H]1C ZINC001236825498 1131016459 /nfs/dbraw/zinc/01/64/59/1131016459.db2.gz HHZDKVCRXNXJEU-SECBINFHSA-N 0 1 274.227 3.803 20 0 CHADMN C[C@@H](Cc1ccccc1F)NCc1c(F)cc(F)cc1F ZINC000815649236 1131017143 /nfs/dbraw/zinc/01/71/43/1131017143.db2.gz KGUVHNNNTWLHTR-JTQLQIEISA-N 0 1 297.295 3.964 20 0 CHADMN Clc1nc2ccsc2cc1CN1CCC[C@@H]2C[C@@H]21 ZINC001236873422 1131027735 /nfs/dbraw/zinc/02/77/35/1131027735.db2.gz JCYKOIGRMMYLLV-SKDRFNHKSA-N 0 1 278.808 3.934 20 0 CHADMN CC1(C)CN(Cc2ccc(F)c3ccoc32)CC(C)(C)O1 ZINC001236902101 1131030853 /nfs/dbraw/zinc/03/08/53/1131030853.db2.gz VDTBECDLBJSRMP-UHFFFAOYSA-N 0 1 291.366 3.961 20 0 CHADMN Cc1ccc(-c2cncc(CN3CCSCC3)c2)cc1 ZINC001236990900 1131035371 /nfs/dbraw/zinc/03/53/71/1131035371.db2.gz KNLVNUHUUREVDG-UHFFFAOYSA-N 0 1 284.428 3.606 20 0 CHADMN CC(C)(C)Oc1ccccc1CN1CC2(CCC2)C1 ZINC001237022229 1131035861 /nfs/dbraw/zinc/03/58/61/1131035861.db2.gz FLHRFFANYJNTPH-UHFFFAOYSA-N 0 1 259.393 3.850 20 0 CHADMN CC(C)(C)Oc1ccccc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001237022681 1131036317 /nfs/dbraw/zinc/03/63/17/1131036317.db2.gz LBPNUDJZPFVHLS-KKUMJFAQSA-N 0 1 277.383 3.654 20 0 CHADMN c1cc(C2CCC2)ccc1CN1CC2(CSC2)C1 ZINC001237108296 1131050227 /nfs/dbraw/zinc/05/02/27/1131050227.db2.gz SQKBSRDKOBPODE-UHFFFAOYSA-N 0 1 259.418 3.503 20 0 CHADMN CN(Cc1ccncc1)Cc1ccnc2c(Cl)cccc12 ZINC001237148015 1131058953 /nfs/dbraw/zinc/05/89/53/1131058953.db2.gz GSMNBMNAMDCMOT-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN Clc1sccc1CN1CC[C@H](c2ccccn2)C1 ZINC000798962722 1131064214 /nfs/dbraw/zinc/06/42/14/1131064214.db2.gz QCPIFTBRRFCDNK-NSHDSACASA-N 0 1 278.808 3.786 20 0 CHADMN CN(C)Cc1cc(NC[C@H]2CCC=CO2)ccc1Cl ZINC000798961658 1131065679 /nfs/dbraw/zinc/06/56/79/1131065679.db2.gz AXMKYGBMJALNDX-CQSZACIVSA-N 0 1 280.799 3.506 20 0 CHADMN C[C@@H]1CCN(Cc2ccc3cccccc2-3)CCC1=O ZINC001237192255 1131068252 /nfs/dbraw/zinc/06/82/52/1131068252.db2.gz GHMQBXBRLMJOHG-CQSZACIVSA-N 0 1 267.372 3.592 20 0 CHADMN CC(C)(C(=O)OCc1ccc(C(F)F)cc1)N1CCCC1 ZINC000805612254 1131070403 /nfs/dbraw/zinc/07/04/03/1131070403.db2.gz KQBVGCZNRWZJDE-UHFFFAOYSA-N 0 1 297.345 3.542 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1ccc2cccccc1-2 ZINC001237193567 1131070461 /nfs/dbraw/zinc/07/04/61/1131070461.db2.gz QUIZQMFWPHRYLF-GOSISDBHSA-N 0 1 267.372 3.735 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N(C)Cc2cnc(Cl)cn2)c1 ZINC000799116682 1131070513 /nfs/dbraw/zinc/07/05/13/1131070513.db2.gz OEVBKWNQKJLSPQ-CYBMUJFWSA-N 0 1 289.810 3.940 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CCNC2=CCCC[C@@H]21 ZINC001237229316 1131073142 /nfs/dbraw/zinc/07/31/42/1131073142.db2.gz NYNZFNUIQQXWHA-INIZCTEOSA-N 0 1 294.801 3.629 20 0 CHADMN Clc1ccc(CN2CCNC3=CCCC[C@H]32)cc1Cl ZINC001237220168 1131073413 /nfs/dbraw/zinc/07/34/13/1131073413.db2.gz QTWSDKBCFPZNNT-OAHLLOKOSA-N 0 1 297.229 3.835 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc2nccc(Cl)c2c1 ZINC001237263567 1131074145 /nfs/dbraw/zinc/07/41/45/1131074145.db2.gz GUFZTKMFDKIUGM-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN COc1ccc(-c2ccccc2)c(CN(C)C2(C)COC2)c1 ZINC001237307146 1131080479 /nfs/dbraw/zinc/08/04/79/1131080479.db2.gz MLLVHSSAVPDFIR-UHFFFAOYSA-N 0 1 297.398 3.583 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H]3OCCC[C@H]3C2)c1Cl ZINC001138022827 1131082476 /nfs/dbraw/zinc/08/24/76/1131082476.db2.gz NSARYUBGSCNTJV-SWLSCSKDSA-N 0 1 297.801 3.788 20 0 CHADMN CCc1cccc(C)c1CN1CCn2cccc2[C@@H]1C ZINC001237329712 1131085539 /nfs/dbraw/zinc/08/55/39/1131085539.db2.gz LXFQZIDWCLIEBN-HNNXBMFYSA-N 0 1 268.404 3.936 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC[C@H](O)CC2)c1Cl ZINC001237328753 1131085621 /nfs/dbraw/zinc/08/56/21/1131085621.db2.gz SZHBITOOZMHJQT-NSHDSACASA-N 0 1 288.218 3.649 20 0 CHADMN Cc1ccc(Cl)c(C[N@H+]2[C@@H](C)CC[C@H]2CO)c1Cl ZINC001237331454 1131086843 /nfs/dbraw/zinc/08/68/43/1131086843.db2.gz MMYSIFAHZWDMFY-QWRGUYRKSA-N 0 1 288.218 3.647 20 0 CHADMN Cc1ccc(Cl)c(CN2[C@@H](C)CC[C@H]2CO)c1Cl ZINC001237331454 1131086846 /nfs/dbraw/zinc/08/68/46/1131086846.db2.gz MMYSIFAHZWDMFY-QWRGUYRKSA-N 0 1 288.218 3.647 20 0 CHADMN CC(=O)C1CCN(Cc2c(C)cc(Cl)cc2C)CC1 ZINC001237350779 1131088496 /nfs/dbraw/zinc/08/84/96/1131088496.db2.gz SRDIFKIRANFOMC-UHFFFAOYSA-N 0 1 279.811 3.758 20 0 CHADMN Oc1cc(-c2ccc3c(c2)COC3)c(F)c(F)c1F ZINC001245636559 1131095382 /nfs/dbraw/zinc/09/53/82/1131095382.db2.gz XHTDOZHQACJGQA-UHFFFAOYSA-N 0 1 266.218 3.507 20 0 CHADMN CCCN(Cc1cnccc1Br)CC(C)C ZINC001237389685 1131095537 /nfs/dbraw/zinc/09/55/37/1131095537.db2.gz QFEMCKFQGHEPTJ-UHFFFAOYSA-N 0 1 285.229 3.712 20 0 CHADMN C[C@H]1CN(Cc2c(Cl)[nH]c3cnccc32)CCC1(F)F ZINC001237449076 1131099016 /nfs/dbraw/zinc/09/90/16/1131099016.db2.gz KYFOVNOMUCDRRY-VIFPVBQESA-N 0 1 299.752 3.693 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1Cc1cc2ccccn2n1 ZINC001237448186 1131099796 /nfs/dbraw/zinc/09/97/96/1131099796.db2.gz VPCQXDGBDOOGLY-LJQANCHMSA-N 0 1 291.398 3.980 20 0 CHADMN C[C@H]1CCN(Cc2cccc3c(F)cccc23)CCC1=O ZINC001237517207 1131107551 /nfs/dbraw/zinc/10/75/51/1131107551.db2.gz BBLAHDKICLXRGB-ZDUSSCGKSA-N 0 1 285.362 3.780 20 0 CHADMN C[C@@H]1CN(Cc2cccc3c(F)cccc23)CCCC1=O ZINC001237523240 1131108766 /nfs/dbraw/zinc/10/87/66/1131108766.db2.gz SLWXRNMEZJYESA-CYBMUJFWSA-N 0 1 285.362 3.780 20 0 CHADMN Cc1ncc(CN2CCCCC[C@@H]2C)cc1Br ZINC001237569978 1131114153 /nfs/dbraw/zinc/11/41/53/1131114153.db2.gz VELREUYYWXCSCB-NSHDSACASA-N 0 1 297.240 3.917 20 0 CHADMN Clc1ncnc2ccc(CN3CCCCC34CC4)cc12 ZINC001237580515 1131115385 /nfs/dbraw/zinc/11/53/85/1131115385.db2.gz VGJYBSPRROHUSP-UHFFFAOYSA-N 0 1 287.794 3.802 20 0 CHADMN COc1ccc(-c2cc(Cl)c(O)cc2F)c(C)n1 ZINC001245671564 1131117985 /nfs/dbraw/zinc/11/79/85/1131117985.db2.gz JODGKOGXYWJGOX-UHFFFAOYSA-N 0 1 267.687 3.564 20 0 CHADMN CC[C@H](C)Oc1cc(CN2C[C@@H](C)[C@@H]2C)ccc1OC ZINC000816647316 1131118555 /nfs/dbraw/zinc/11/85/55/1131118555.db2.gz QPQHUTZFEQGXMA-RDBSUJKOSA-N 0 1 277.408 3.713 20 0 CHADMN CCCCOc1cc(CN2C[C@H](C)[C@H]2C)ccc1OC ZINC000816646860 1131118957 /nfs/dbraw/zinc/11/89/57/1131118957.db2.gz JTFQSBMQGUXKIB-UONOGXRCSA-N 0 1 277.408 3.714 20 0 CHADMN C[C@H]1CN(Cc2ccc(-c3ccncc3)cc2F)[C@H]1C ZINC000816648171 1131119719 /nfs/dbraw/zinc/11/97/19/1131119719.db2.gz GEPQGUICQVRKLR-STQMWFEESA-N 0 1 270.351 3.728 20 0 CHADMN CC(=O)Nc1ncc(-c2cc(Cl)c(O)cc2F)cc1C ZINC001245672665 1131123130 /nfs/dbraw/zinc/12/31/30/1131123130.db2.gz YSGPFKOOBMJEIQ-UHFFFAOYSA-N 0 1 294.713 3.514 20 0 CHADMN Cc1cc(C)c(Cl)c(CN2CC(c3cccnc3)C2)c1 ZINC001237700481 1131130090 /nfs/dbraw/zinc/13/00/90/1131130090.db2.gz DOQSBMCIPXITBI-UHFFFAOYSA-N 0 1 286.806 3.951 20 0 CHADMN CCO[C@@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2Cl)C1 ZINC001237704630 1131130899 /nfs/dbraw/zinc/13/08/99/1131130899.db2.gz MXWFLFIHUCFIEI-OAHLLOKOSA-N 0 1 281.827 3.958 20 0 CHADMN CCCCCC[C@@H](C)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001116151524 1131131045 /nfs/dbraw/zinc/13/10/45/1131131045.db2.gz DUDGKGBHPWLMLX-OAHLLOKOSA-N 0 1 282.472 3.536 20 0 CHADMN Cc1c(Cl)cccc1CN1C[C@@H](C)C[C@H]1CF ZINC001237731424 1131134020 /nfs/dbraw/zinc/13/40/20/1131134020.db2.gz QPYKYZHWBBAQHK-GWCFXTLKSA-N 0 1 255.764 3.828 20 0 CHADMN Cc1cc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)ccc1OC(C)C ZINC001237721977 1131134209 /nfs/dbraw/zinc/13/42/09/1131134209.db2.gz LHWMYKCGIOWKMX-HRCADAONSA-N 0 1 277.383 3.572 20 0 CHADMN Cc1ccc([C@@H](C)C(=O)Nc2nc3ccc(C)cc3[nH]2)o1 ZINC000817017230 1131136915 /nfs/dbraw/zinc/13/69/15/1131136915.db2.gz FTQIKQXVHGUMCN-LLVKDONJSA-N 0 1 283.331 3.515 20 0 CHADMN C/C(=C\C(C)(C)C)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000817017870 1131137088 /nfs/dbraw/zinc/13/70/88/1131137088.db2.gz FRKFIWPWGBQJMG-PKNBQFBNSA-N 0 1 271.364 3.802 20 0 CHADMN Cc1cc(CNc2ccc(OC(F)F)c(Cl)c2)n[nH]1 ZINC001116318715 1131139598 /nfs/dbraw/zinc/13/95/98/1131139598.db2.gz CPYCLZVXUHHHCF-UHFFFAOYSA-N 0 1 287.697 3.585 20 0 CHADMN Cc1cc(F)c(-c2cc3c(nn2)CNC3)c(Cl)c1Cl ZINC001245733202 1131139979 /nfs/dbraw/zinc/13/99/79/1131139979.db2.gz CIAZDMKLHNKCST-UHFFFAOYSA-N 0 1 298.148 3.501 20 0 CHADMN Cn1ncc(Nc2nc(C3CCCC3)ns2)c1C1CC1 ZINC000817121802 1131143763 /nfs/dbraw/zinc/14/37/63/1131143763.db2.gz WIMLVCSXZRAFLO-UHFFFAOYSA-N 0 1 289.408 3.550 20 0 CHADMN O=C(Nc1cc(F)cc(F)c1)c1ccc(Cl)c(O)c1 ZINC001135836449 1131146277 /nfs/dbraw/zinc/14/62/77/1131146277.db2.gz MNOFTHFAMFHTPQ-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN CCN(CC)c1ncc(C[N@H+]2CC(C)(C)C2(C)C)s1 ZINC001116445182 1131146354 /nfs/dbraw/zinc/14/63/54/1131146354.db2.gz PLAHEUJRAIKIGA-UHFFFAOYSA-N 0 1 281.469 3.610 20 0 CHADMN CCN(CC)c1ncc(CN2CC(C)(C)C2(C)C)s1 ZINC001116445182 1131146355 /nfs/dbraw/zinc/14/63/55/1131146355.db2.gz PLAHEUJRAIKIGA-UHFFFAOYSA-N 0 1 281.469 3.610 20 0 CHADMN COc1ccoc1CN1CCC(c2ccc(F)cc2)CC1 ZINC001237870831 1131146568 /nfs/dbraw/zinc/14/65/68/1131146568.db2.gz GMFRHWHRDDTPGR-UHFFFAOYSA-N 0 1 289.350 3.807 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](C)Cc1occc1OC ZINC001237874276 1131147070 /nfs/dbraw/zinc/14/70/70/1131147070.db2.gz LCXLNIRVJKNZLY-AWEZNQCLSA-N 0 1 259.349 3.871 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1occc1OC ZINC001237874276 1131147071 /nfs/dbraw/zinc/14/70/71/1131147071.db2.gz LCXLNIRVJKNZLY-AWEZNQCLSA-N 0 1 259.349 3.871 20 0 CHADMN CCCOc1cc(F)ccc1CN1CCC[C@H](F)CC1 ZINC001237903022 1131149587 /nfs/dbraw/zinc/14/95/87/1131149587.db2.gz FAOCKHXVEUZOBF-AWEZNQCLSA-N 0 1 283.362 3.939 20 0 CHADMN F[C@H]1CCN(Cc2ccc(COc3ccccc3)cc2)C1 ZINC001237928993 1131154041 /nfs/dbraw/zinc/15/40/41/1131154041.db2.gz YSPDUHGVJXPHFJ-KRWDZBQOSA-N 0 1 285.362 3.809 20 0 CHADMN Cc1sccc1C[N@@H+]1CCC(=O)[C@@H](C)C12CCCC2 ZINC001237974394 1131156188 /nfs/dbraw/zinc/15/61/88/1131156188.db2.gz HSVCFVRHKOCEJL-GFCCVEGCSA-N 0 1 277.433 3.780 20 0 CHADMN Cc1sccc1CN1CCC(=O)[C@@H](C)C12CCCC2 ZINC001237974394 1131156191 /nfs/dbraw/zinc/15/61/91/1131156191.db2.gz HSVCFVRHKOCEJL-GFCCVEGCSA-N 0 1 277.433 3.780 20 0 CHADMN C[C@@]1(F)CCC[N@@H+](Cc2cc(F)c([O-])c(Cl)c2)CC1 ZINC001237983994 1131158336 /nfs/dbraw/zinc/15/83/36/1131158336.db2.gz KMFMVMWZYDIWHS-CQSZACIVSA-N 0 1 289.753 3.899 20 0 CHADMN CC(C)[C@@H](C(=O)NOCCC1CC1)c1cccc(Cl)c1 ZINC000817403334 1131158504 /nfs/dbraw/zinc/15/85/04/1131158504.db2.gz DRNGVTSBRYHJPB-OAHLLOKOSA-N 0 1 295.810 3.928 20 0 CHADMN C[C@H]1CCCC[N@H+]1Cc1cc(F)c([O-])c(Cl)c1 ZINC001237990732 1131158709 /nfs/dbraw/zinc/15/87/09/1131158709.db2.gz PYYSLLIUMXOYLC-VIFPVBQESA-N 0 1 257.736 3.559 20 0 CHADMN C[N@@H+](Cc1cc(F)c([O-])c(Cl)c1)C1CCCCC1 ZINC001237990250 1131158801 /nfs/dbraw/zinc/15/88/01/1131158801.db2.gz LXIBTZGIKURKHF-UHFFFAOYSA-N 0 1 271.763 3.949 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2cc(F)c([O-])c(Cl)c2)C1 ZINC001237994550 1131160324 /nfs/dbraw/zinc/16/03/24/1131160324.db2.gz FDIZKSCIJMORQZ-JTQLQIEISA-N 0 1 271.763 3.807 20 0 CHADMN Clc1cncc(CN2CC3CCC2CC3)c1Cl ZINC001238012118 1131161117 /nfs/dbraw/zinc/16/11/17/1131161117.db2.gz QICIECKSZSAHIS-UHFFFAOYSA-N 0 1 271.191 3.763 20 0 CHADMN CO[C@@H]1CCN(Cc2c(F)ccc(C)c2Cl)[C@H](C)C1 ZINC001138030437 1131164437 /nfs/dbraw/zinc/16/44/37/1131164437.db2.gz FZMBLLHPTCGSSF-VXGBXAGGSA-N 0 1 285.790 3.787 20 0 CHADMN CCOC(=O)c1c(Cl)cccc1CN1CCC[C@H]1CC ZINC001238045134 1131165145 /nfs/dbraw/zinc/16/51/45/1131165145.db2.gz TUKYERBFHHLMSL-CYBMUJFWSA-N 0 1 295.810 3.891 20 0 CHADMN Cc1ccc(Cl)c(CN2CC[C@H](C)[C@](C)(O)CC2)c1F ZINC001138030532 1131166948 /nfs/dbraw/zinc/16/69/48/1131166948.db2.gz JHFKPSNAPRHGMJ-BLLLJJGKSA-N 0 1 299.817 3.770 20 0 CHADMN CCN(Cc1ccc(F)c(Br)c1F)C1CC1 ZINC001238077375 1131168236 /nfs/dbraw/zinc/16/82/36/1131168236.db2.gz HTKTVTRZUQRWLD-UHFFFAOYSA-N 0 1 290.151 3.712 20 0 CHADMN Cc1cc(CN2CC[C@@H]3CCO[C@H]3C2)cc(C)c1Cl ZINC001238090623 1131169618 /nfs/dbraw/zinc/16/96/18/1131169618.db2.gz PODZUNBYSIZOJT-CABCVRRESA-N 0 1 279.811 3.568 20 0 CHADMN C[C@@H](NCc1ccc([C@H](C)O)cc1)c1ccncc1Cl ZINC000817573172 1131171154 /nfs/dbraw/zinc/17/11/54/1131171154.db2.gz BXOUCEFQUUUINP-NEPJUHHUSA-N 0 1 290.794 3.639 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1cc(O)ccc1C)C2 ZINC001238109697 1131171710 /nfs/dbraw/zinc/17/17/10/1131171710.db2.gz KCNKYMFSXNWKQJ-UHFFFAOYSA-N 0 1 267.372 3.567 20 0 CHADMN Clc1ccc2c(c1)CN(Cc1cccc3cncn31)C2 ZINC001238111238 1131172739 /nfs/dbraw/zinc/17/27/39/1131172739.db2.gz SERWAHSTULGZAR-UHFFFAOYSA-N 0 1 283.762 3.504 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cc(Cl)c([O-])cc2F)CC1 ZINC001238146710 1131174657 /nfs/dbraw/zinc/17/46/57/1131174657.db2.gz MAQFGQBXAUHUNH-JTQLQIEISA-N 0 1 271.763 3.807 20 0 CHADMN C[C@H]1CCCC[N@@H+](Cc2cc(Cl)c([O-])cc2F)C1 ZINC001238143940 1131174937 /nfs/dbraw/zinc/17/49/37/1131174937.db2.gz RLBMNEYUNQKHOS-JTQLQIEISA-N 0 1 271.763 3.807 20 0 CHADMN Oc1cc(F)c(CN2CCC[C@H]2C(F)(F)F)cc1Cl ZINC001238145104 1131175110 /nfs/dbraw/zinc/17/51/10/1131175110.db2.gz CYZJQACKIACFHO-NSHDSACASA-N 0 1 297.679 3.711 20 0 CHADMN COc1c(C)cnc(CN2CCc3ccc(C)cc3C2)c1C ZINC001238173176 1131175536 /nfs/dbraw/zinc/17/55/36/1131175536.db2.gz VBZGIVMVOPBZPQ-UHFFFAOYSA-N 0 1 296.414 3.574 20 0 CHADMN CSC1CC[NH+](Cc2cc(Cl)c([O-])cc2F)CC1 ZINC001238151947 1131176559 /nfs/dbraw/zinc/17/65/59/1131176559.db2.gz KCXXBZRJULICES-UHFFFAOYSA-N 0 1 289.803 3.512 20 0 CHADMN COc1c(C)cnc(CN2CCC(F)(F)C(C)(C)C2)c1C ZINC001238171327 1131176627 /nfs/dbraw/zinc/17/66/27/1131176627.db2.gz FOQRJXCYDZSFAN-UHFFFAOYSA-N 0 1 298.377 3.574 20 0 CHADMN Cc1c(Cl)ccc(CN(C)Cc2ccncc2)c1C ZINC001238212443 1131182174 /nfs/dbraw/zinc/18/21/74/1131182174.db2.gz AFDFRUFGZKXTGP-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CCCC2(CCCC2)C1 ZINC001238233064 1131185806 /nfs/dbraw/zinc/18/58/06/1131185806.db2.gz INUORJQFULQOMI-UHFFFAOYSA-N 0 1 291.366 3.680 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1C[C@H]2[C@H](CC2(F)F)C1 ZINC001238319765 1131189429 /nfs/dbraw/zinc/18/94/29/1131189429.db2.gz YNURYEUNVFQGJA-OLZOCXBDSA-N 0 1 299.336 3.700 20 0 CHADMN Fc1cccc(CN2C[C@@H]3C[C@@H]3C2)c1OCc1ccccc1 ZINC001238332906 1131191745 /nfs/dbraw/zinc/19/17/45/1131191745.db2.gz GWLUAICSBQCKDW-CALCHBBNSA-N 0 1 297.373 3.856 20 0 CHADMN COc1ccc(CN2CCC3(C2)CCCCC3)c(F)c1O ZINC001238370788 1131192594 /nfs/dbraw/zinc/19/25/94/1131192594.db2.gz MPIXAKPBGORYME-UHFFFAOYSA-N 0 1 293.382 3.696 20 0 CHADMN COc1cc(CN2[C@H](C)CCC[C@H]2C)c(Cl)cn1 ZINC001238360598 1131192853 /nfs/dbraw/zinc/19/28/53/1131192853.db2.gz MSVMCSHSSSQHRS-GHMZBOCLSA-N 0 1 268.788 3.507 20 0 CHADMN COc1cc(CN2CCCC3(CCCC3)C2)c(Cl)cn1 ZINC001238352229 1131193366 /nfs/dbraw/zinc/19/33/66/1131193366.db2.gz VIXPNVOOWXLWAD-UHFFFAOYSA-N 0 1 294.826 3.900 20 0 CHADMN Cc1cc(CN2CCC[C@H](C(F)F)C2)cnc1OC(C)C ZINC001238388555 1131193959 /nfs/dbraw/zinc/19/39/59/1131193959.db2.gz AOZGTCSHAWBIIR-AWEZNQCLSA-N 0 1 298.377 3.654 20 0 CHADMN Cc1cc(CN2CCC(C)(C)CC2)ncc1Cl ZINC001238419229 1131197207 /nfs/dbraw/zinc/19/72/07/1131197207.db2.gz WFLJVLJVTDEZGB-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN COC[C@H]1CCCCN1Cc1cccc(OC(C)C)c1F ZINC001238421182 1131197283 /nfs/dbraw/zinc/19/72/83/1131197283.db2.gz BFMJDAYCKLYIOG-OAHLLOKOSA-N 0 1 295.398 3.614 20 0 CHADMN CCc1ccc(CN(C)Cc2ncc(C)cc2C)cc1 ZINC001238442824 1131200311 /nfs/dbraw/zinc/20/03/11/1131200311.db2.gz UXKDSTIYMUHDQZ-UHFFFAOYSA-N 0 1 268.404 3.893 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1ncc(C)cc1C ZINC001238436797 1131200656 /nfs/dbraw/zinc/20/06/56/1131200656.db2.gz CKUPHRPIPQZLBY-HNNXBMFYSA-N 0 1 284.403 3.900 20 0 CHADMN Cc1cnc(CN2CCSC[C@@H]2c2ccccc2)c(C)c1 ZINC001238431831 1131200767 /nfs/dbraw/zinc/20/07/67/1131200767.db2.gz IGARNPZTRJHOIG-GOSISDBHSA-N 0 1 298.455 3.989 20 0 CHADMN CO[C@@H]1CCN(Cc2cccc(OC(C)C)c2F)[C@@H](C)C1 ZINC001238435085 1131200816 /nfs/dbraw/zinc/20/08/16/1131200816.db2.gz QODULRCJULBKIE-DZGCQCFKSA-N 0 1 295.398 3.612 20 0 CHADMN Cc1nnc(SCc2cc(Cl)sc2Cl)[nH]1 ZINC001117801439 1131201183 /nfs/dbraw/zinc/20/11/83/1131201183.db2.gz NYMLZOBPRUUIKS-UHFFFAOYSA-N 0 1 280.205 3.774 20 0 CHADMN Cc1n[nH]c(SCc2cc(Cl)sc2Cl)n1 ZINC001117801439 1131201187 /nfs/dbraw/zinc/20/11/87/1131201187.db2.gz NYMLZOBPRUUIKS-UHFFFAOYSA-N 0 1 280.205 3.774 20 0 CHADMN CC(C)Oc1ccc(CN2CCCOC(C)(C)C2)c(F)c1 ZINC001238450983 1131202082 /nfs/dbraw/zinc/20/20/82/1131202082.db2.gz HGUNRGJWEQZAJE-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN CC(C)Oc1cc(CN2C[C@@H]3C[C@H]2C[C@H]3F)ccc1F ZINC001238460999 1131203804 /nfs/dbraw/zinc/20/38/04/1131203804.db2.gz SBJBRIATCUTDGH-KCQAQPDRSA-N 0 1 281.346 3.545 20 0 CHADMN CC(C)Oc1cncc(CN(C)[C@@H]2CCc3ccccc32)c1 ZINC001238473858 1131205392 /nfs/dbraw/zinc/20/53/92/1131205392.db2.gz JDURMOVCAAQNNS-LJQANCHMSA-N 0 1 296.414 3.988 20 0 CHADMN Cc1ccc(OC(C)C)cc1CN1CCc2cnccc2C1 ZINC001238475482 1131205682 /nfs/dbraw/zinc/20/56/82/1131205682.db2.gz FICJPOCUUOMRET-UHFFFAOYSA-N 0 1 296.414 3.736 20 0 CHADMN CC[C@@H]1CCCN(Cc2ccc(F)c(F)c2OC)C1 ZINC001238472443 1131206264 /nfs/dbraw/zinc/20/62/64/1131206264.db2.gz LXQURXSQRQYNKU-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN COc1c(CN2CCCCC[C@H]2C)ccc(F)c1F ZINC001238476854 1131206505 /nfs/dbraw/zinc/20/65/05/1131206505.db2.gz ITTMMPDMUAZWBK-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN COc1cnc(CN2CCC[C@@H](C)[C@H](C)C2)c(Cl)c1 ZINC001238484363 1131206888 /nfs/dbraw/zinc/20/68/88/1131206888.db2.gz MQXBKKRCOKVPFZ-VXGBXAGGSA-N 0 1 282.815 3.612 20 0 CHADMN COc1cnc(CN2CCC3(CCCC3)CC2)c(Cl)c1 ZINC001238485942 1131207617 /nfs/dbraw/zinc/20/76/17/1131207617.db2.gz YBCALDGYAODRIV-UHFFFAOYSA-N 0 1 294.826 3.900 20 0 CHADMN CC[C@H]1CCCCN1Cc1ncc(OC)cc1Cl ZINC001238487632 1131208127 /nfs/dbraw/zinc/20/81/27/1131208127.db2.gz MNIMETRBIHCDSI-NSHDSACASA-N 0 1 268.788 3.508 20 0 CHADMN CCCCN(CCC)Cc1ncc(OC)cc1Cl ZINC001238489979 1131209438 /nfs/dbraw/zinc/20/94/38/1131209438.db2.gz XFLHBMGWVRBSLO-UHFFFAOYSA-N 0 1 270.804 3.756 20 0 CHADMN CC(C)Oc1ccc(-c2ccc(CN3CC=CC3)cn2)cc1 ZINC001238537351 1131213825 /nfs/dbraw/zinc/21/38/25/1131213825.db2.gz PKJXDSXZUMJZPT-UHFFFAOYSA-N 0 1 294.398 3.908 20 0 CHADMN CC1(C)CN(Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001238552699 1131214866 /nfs/dbraw/zinc/21/48/66/1131214866.db2.gz SJNHAZKJEDNWEK-UHFFFAOYSA-N 0 1 270.351 3.730 20 0 CHADMN COc1cc(CN(C)Cc2cc(F)cc(F)c2)ccc1C ZINC001118302720 1131217080 /nfs/dbraw/zinc/21/70/80/1131217080.db2.gz GVXOSUCWUWSHHC-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN Cc1cc(F)cc(Br)c1CN1CCC[C@H]1C ZINC001238567506 1131217952 /nfs/dbraw/zinc/21/79/52/1131217952.db2.gz XPPVBZIZVFQBGA-SNVBAGLBSA-N 0 1 286.188 3.881 20 0 CHADMN COc1cc(C)cc(F)c1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001238592315 1131220251 /nfs/dbraw/zinc/22/02/51/1131220251.db2.gz RZYNCNYVKDFACS-BBRMVZONSA-N 0 1 277.383 3.907 20 0 CHADMN COc1ccc(-c2ccncc2)cc1CN1CC2(CCC2)C1 ZINC001238604207 1131221681 /nfs/dbraw/zinc/22/16/81/1131221681.db2.gz PAUHAFCSOSAOLX-UHFFFAOYSA-N 0 1 294.398 3.743 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2cccnc2)cnc1C1CC1 ZINC001238616394 1131223024 /nfs/dbraw/zinc/22/30/24/1131223024.db2.gz ORDHKNHCJDZZBY-GOSISDBHSA-N 0 1 293.414 4.000 20 0 CHADMN Cc1cnc(-c2ccccc2)c(CN2CC[C@H](F)C2)c1 ZINC001238616127 1131223444 /nfs/dbraw/zinc/22/34/44/1131223444.db2.gz BVRDHRXLBNQVIZ-INIZCTEOSA-N 0 1 270.351 3.601 20 0 CHADMN Cc1cc(CN2CCCC[C@](C)(F)C2)cnc1C1CC1 ZINC001238622097 1131225491 /nfs/dbraw/zinc/22/54/91/1131225491.db2.gz YWOMDOSEHJLZQW-KRWDZBQOSA-N 0 1 276.399 3.982 20 0 CHADMN CCN(Cc1cc(-c2ccccc2)cnc1F)C1CC1 ZINC001238658331 1131226196 /nfs/dbraw/zinc/22/61/96/1131226196.db2.gz MODLOMYFDQZMQO-UHFFFAOYSA-N 0 1 270.351 3.872 20 0 CHADMN Cc1cc(OC(C)C)cc(C)c1CN1CCOCC1(C)C ZINC001238664382 1131228181 /nfs/dbraw/zinc/22/81/81/1131228181.db2.gz JMOPXJMNTHQWQS-UHFFFAOYSA-N 0 1 291.435 3.701 20 0 CHADMN CSc1ccc(Cl)cc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001238671531 1131228990 /nfs/dbraw/zinc/22/89/90/1131228990.db2.gz BCGKLOWUUOGTHF-TVYUQYBPSA-N 0 1 285.815 3.994 20 0 CHADMN CSc1cc(C)cc(CN2C[C@@H](F)C[C@H]2C)c1 ZINC001238675237 1131229604 /nfs/dbraw/zinc/22/96/04/1131229604.db2.gz KRGDARRECJPAPR-YPMHNXCESA-N 0 1 253.386 3.649 20 0 CHADMN Cc1cccc(Cl)c1CN1CCC(F)(F)CC1 ZINC000829367735 1131418684 /nfs/dbraw/zinc/41/86/84/1131418684.db2.gz UMPGTNXYNLQMAI-UHFFFAOYSA-N 0 1 259.727 3.880 20 0 CHADMN Cc1ccc(-c2noc([C@@H]3CCCCN3)n2)cc1Cl ZINC000823258845 1131419578 /nfs/dbraw/zinc/41/95/78/1131419578.db2.gz ISKLEKNFXBWALF-LBPRGKRZSA-N 0 1 277.755 3.513 20 0 CHADMN Cc1ccc(-c2noc([C@H]3CCCCN3)n2)cc1Cl ZINC000823258842 1131419584 /nfs/dbraw/zinc/41/95/84/1131419584.db2.gz ISKLEKNFXBWALF-GFCCVEGCSA-N 0 1 277.755 3.513 20 0 CHADMN C[C@H]1CCN[C@H](c2nc(-c3ccc(Cl)cc3F)no2)C1 ZINC000823247814 1131420610 /nfs/dbraw/zinc/42/06/10/1131420610.db2.gz KEIQULLTGWWEEF-UFBFGSQYSA-N 0 1 295.745 3.590 20 0 CHADMN CC(C)c1ccoc1-c1noc([C@@H]2C[C@@H](C)CCN2)n1 ZINC000823242859 1131420712 /nfs/dbraw/zinc/42/07/12/1131420712.db2.gz GIYIVKAYRFNTGF-JQWIXIFHSA-N 0 1 275.352 3.514 20 0 CHADMN CN(Cc1cc(F)cc(F)c1F)C[C@H]1CC1(C)C ZINC001137873620 1131427920 /nfs/dbraw/zinc/42/79/20/1131427920.db2.gz MQGCAMJPPYATEK-SNVBAGLBSA-N 0 1 257.299 3.582 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1cc(F)ncc1F ZINC000823459387 1131428461 /nfs/dbraw/zinc/42/84/61/1131428461.db2.gz STNSLLATURQSNK-GXTWGEPZSA-N 0 1 288.341 3.738 20 0 CHADMN Cc1cc(C=O)c(O)c(C(=O)Nc2ccc(C3CC3)cc2)c1 ZINC001137902381 1131431874 /nfs/dbraw/zinc/43/18/74/1131431874.db2.gz ZYFRBQDBFWCWMW-UHFFFAOYSA-N 0 1 295.338 3.643 20 0 CHADMN Fc1c(CN[C@@H]2CCc3ccccc32)ccnc1Cl ZINC000823608156 1131433667 /nfs/dbraw/zinc/43/36/67/1131433667.db2.gz DDSMZIIYWWPBOI-CYBMUJFWSA-N 0 1 276.742 3.651 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1ccnc(Cl)c1F ZINC000823709126 1131437689 /nfs/dbraw/zinc/43/76/89/1131437689.db2.gz KLSJKOXOIYLZCY-CQSZACIVSA-N 0 1 290.769 3.960 20 0 CHADMN Cc1cc2cc[nH]c2c(N[C@H]2CCc3ccc(O)cc3C2)n1 ZINC001171029156 1131440666 /nfs/dbraw/zinc/44/06/66/1131440666.db2.gz QZTUOLWVVVFKSP-HNNXBMFYSA-N 0 1 293.370 3.546 20 0 CHADMN Cc1nc2cc(N[C@H]3CCc4ccc(O)cc4C3)ccc2[nH]1 ZINC001171030842 1131440689 /nfs/dbraw/zinc/44/06/89/1131440689.db2.gz ZRGXGOMZMKGGGQ-AWEZNQCLSA-N 0 1 293.370 3.546 20 0 CHADMN C[C@@H]1CCN1Cc1ccc(SC(F)(F)F)cc1 ZINC001137953444 1131441224 /nfs/dbraw/zinc/44/12/24/1131441224.db2.gz YUTKDZNKZUVTSY-SECBINFHSA-N 0 1 261.312 3.893 20 0 CHADMN Fc1c(Cl)cccc1CN1CCC[C@H](F)CC1 ZINC001137958004 1131441988 /nfs/dbraw/zinc/44/19/88/1131441988.db2.gz ZXTGPNWQLGWPMD-NSHDSACASA-N 0 1 259.727 3.803 20 0 CHADMN Cc1ccc(CN2CCC[C@@](C)(F)CC2)c(F)c1F ZINC001137964660 1131443108 /nfs/dbraw/zinc/44/31/08/1131443108.db2.gz KAYJIMWADXESHV-OAHLLOKOSA-N 0 1 271.326 3.987 20 0 CHADMN C[C@@]1(NCc2cc(F)ncc2F)CCCc2ccccc21 ZINC000823867061 1131445210 /nfs/dbraw/zinc/44/52/10/1131445210.db2.gz YBDUUWOSIZJEEE-QGZVFWFLSA-N 0 1 288.341 3.701 20 0 CHADMN Cc1ccc(CN2C[C@H](C)CC23CC3)c(F)c1F ZINC001137971449 1131445261 /nfs/dbraw/zinc/44/52/61/1131445261.db2.gz TWGYGYFMVBQONL-SNVBAGLBSA-N 0 1 251.320 3.648 20 0 CHADMN C[C@@H](NCc1cnc(Cl)cn1)c1cccc(C2CC2)c1 ZINC000830195194 1131447288 /nfs/dbraw/zinc/44/72/88/1131447288.db2.gz QCCQURZNSZJEJP-LLVKDONJSA-N 0 1 287.794 3.858 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)OC3CCC3)[nH]c2c1 ZINC000830302766 1131450756 /nfs/dbraw/zinc/45/07/56/1131450756.db2.gz VFOXEDYUDXLHBU-HNNXBMFYSA-N 0 1 299.374 3.697 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(Cl)c(N)c1 ZINC001160308400 1131451425 /nfs/dbraw/zinc/45/14/25/1131451425.db2.gz WCGKYQHBSWKZCI-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1ccc(F)c(CN2CC(C)(C)C[C@]2(C)CO)c1Cl ZINC001138023055 1131452642 /nfs/dbraw/zinc/45/26/42/1131452642.db2.gz XQDKFTOZHHGFOS-MRXNPFEDSA-N 0 1 299.817 3.770 20 0 CHADMN Cc1ccnc(C2CCN(Cc3cccc(C)c3F)CC2)n1 ZINC000824161287 1131457516 /nfs/dbraw/zinc/45/75/16/1131457516.db2.gz MOXHTYVBHZISGA-UHFFFAOYSA-N 0 1 299.393 3.612 20 0 CHADMN CCOc1cccc(CN2Cc3cccc(C)c3C2)c1 ZINC001138095836 1131464810 /nfs/dbraw/zinc/46/48/10/1131464810.db2.gz GNLVDYKKSJPKFE-UHFFFAOYSA-N 0 1 267.372 3.910 20 0 CHADMN Cc1ccc(F)c(CN(CC2CC2)C2CC2)c1F ZINC001138121066 1131468863 /nfs/dbraw/zinc/46/88/63/1131468863.db2.gz VGXUHJXTXCWQPE-UHFFFAOYSA-N 0 1 251.320 3.648 20 0 CHADMN CC(C)C[C@]1(C)CCCN1Cc1nnc(C(C)(C)C)o1 ZINC000830798654 1131469089 /nfs/dbraw/zinc/46/90/89/1131469089.db2.gz IFXBVJDLJLDLGZ-INIZCTEOSA-N 0 1 279.428 3.768 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@@H](C)[C@@H]2C)c1F ZINC001138118693 1131469238 /nfs/dbraw/zinc/46/92/38/1131469238.db2.gz PTZWHIVJVGXSFZ-PWSUYJOCSA-N 0 1 253.336 3.894 20 0 CHADMN CC(C)[C@@H]1CN([C@H]2CCc3c(Cl)cccc3C2)CCO1 ZINC001171056956 1131471234 /nfs/dbraw/zinc/47/12/34/1131471234.db2.gz QFFLDEUICHQRTO-YOEHRIQHSA-N 0 1 293.838 3.554 20 0 CHADMN c1cc(N2CCCCC2)oc1CN1CC(c2ccccc2)C1 ZINC001138177062 1131475637 /nfs/dbraw/zinc/47/56/37/1131475637.db2.gz DZWBIOVFOXIMBX-UHFFFAOYSA-N 0 1 296.414 3.869 20 0 CHADMN CC[C@H](C)N(CC)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000824642525 1131477333 /nfs/dbraw/zinc/47/73/33/1131477333.db2.gz UQHCLQOEGWLILW-VIFPVBQESA-N 0 1 295.333 3.761 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1cc2c(cc1Cl)OCO2 ZINC001138238574 1131480197 /nfs/dbraw/zinc/48/01/97/1131480197.db2.gz ZYKHJOADQOVLIT-PHIMTYICSA-N 0 1 281.783 3.832 20 0 CHADMN Clc1cc2c(cc1CN1CCCC3(CCC3)C1)OCO2 ZINC001138245751 1131481254 /nfs/dbraw/zinc/48/12/54/1131481254.db2.gz BFGADGXORYBMNW-UHFFFAOYSA-N 0 1 293.794 3.835 20 0 CHADMN C[C@H]1CN(Cc2c3ccccc3[nH]c2C(C)(C)C)CCO1 ZINC001138310462 1131488175 /nfs/dbraw/zinc/48/81/75/1131488175.db2.gz JYZYSXQVCMRPSR-ZDUSSCGKSA-N 0 1 286.419 3.686 20 0 CHADMN Cc1cc(CN2C[C@H](C3CC3)[C@H]2C2CC2)cc(Cl)n1 ZINC000824942398 1131490192 /nfs/dbraw/zinc/49/01/92/1131490192.db2.gz ZDAXYORUBWEYIW-GDBMZVCRSA-N 0 1 276.811 3.664 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N(C)Cc1cc(O)cc(O)c1 ZINC001138331191 1131492251 /nfs/dbraw/zinc/49/22/51/1131492251.db2.gz QIZMXZGRPJXLEV-LLVKDONJSA-N 0 1 291.778 3.944 20 0 CHADMN CCc1cccc2c(CN3CCC(=O)[C@H](C)CC3)c[nH]c21 ZINC001138359825 1131494205 /nfs/dbraw/zinc/49/42/05/1131494205.db2.gz JGNJGLDRDLIAJI-CYBMUJFWSA-N 0 1 284.403 3.531 20 0 CHADMN CCc1cccc2c(CN3CCc4cnccc4C3)c[nH]c21 ZINC001138359530 1131494228 /nfs/dbraw/zinc/49/42/28/1131494228.db2.gz DOTQGBHAHJBDIX-UHFFFAOYSA-N 0 1 291.398 3.684 20 0 CHADMN Cc1nc[nH]c1C(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 ZINC000825015211 1131494438 /nfs/dbraw/zinc/49/44/38/1131494438.db2.gz LYGJVZZIBNURBP-AWEZNQCLSA-N 0 1 297.402 3.583 20 0 CHADMN COc1ccc(F)cc1CN(Cc1ccccc1)C1CC1 ZINC001138374881 1131496023 /nfs/dbraw/zinc/49/60/23/1131496023.db2.gz HDDDHGKLRCFVFK-UHFFFAOYSA-N 0 1 285.362 3.999 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cc(F)ccc1OC ZINC001138374954 1131496069 /nfs/dbraw/zinc/49/60/69/1131496069.db2.gz LIQKTNFPLGZSMF-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN COc1cccc(F)c1CN1CC[C@H](C)C(F)(F)CC1 ZINC001138379995 1131496452 /nfs/dbraw/zinc/49/64/52/1131496452.db2.gz MTSYBGSAWSFIEU-NSHDSACASA-N 0 1 287.325 3.702 20 0 CHADMN CCc1nc(CNC2CC(c3ccc(Cl)cc3)C2)co1 ZINC000825057953 1131496701 /nfs/dbraw/zinc/49/67/01/1131496701.db2.gz SEBQEQBJDYUWNU-UHFFFAOYSA-N 0 1 290.794 3.926 20 0 CHADMN COc1cccc(F)c1CN(C)CCCc1ccccc1 ZINC001138384841 1131497467 /nfs/dbraw/zinc/49/74/67/1131497467.db2.gz VIIZEZJRLLJPOO-UHFFFAOYSA-N 0 1 287.378 3.899 20 0 CHADMN Fc1cccc2[nH]cc(CN3CCc4ccsc4C3)c21 ZINC001136984488 1131497944 /nfs/dbraw/zinc/49/79/44/1131497944.db2.gz LXUFNGNDHWSENP-UHFFFAOYSA-N 0 1 286.375 3.927 20 0 CHADMN Cc1c2ccccc2[nH]c1CN1CC2(C1)C[C@@H](F)CS2 ZINC001138399335 1131498435 /nfs/dbraw/zinc/49/84/35/1131498435.db2.gz BGRHZMBKWUNTGT-GFCCVEGCSA-N 0 1 290.407 3.506 20 0 CHADMN Cc1cc(CNc2ccc3c(n2)CCC3)cc(Cl)n1 ZINC000825124138 1131500275 /nfs/dbraw/zinc/50/02/75/1131500275.db2.gz IMEDFZBUJBLMCY-UHFFFAOYSA-N 0 1 273.767 3.539 20 0 CHADMN Cc1c2cc(F)ccc2[nH]c1CN1CCC[C@H]2C[C@H]21 ZINC001138414450 1131501862 /nfs/dbraw/zinc/50/18/62/1131501862.db2.gz CETHKBJAOHRHBI-MEDUHNTESA-N 0 1 258.340 3.600 20 0 CHADMN COc1ncc(CN(Cc2ccccc2)C2CC2)cc1C ZINC001137007586 1131503520 /nfs/dbraw/zinc/50/35/20/1131503520.db2.gz GDFVCMUTECOISF-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cnc(OC)c(C)c1 ZINC001137008301 1131503767 /nfs/dbraw/zinc/50/37/67/1131503767.db2.gz VJUFXICKHMJIKQ-SFHVURJKSA-N 0 1 296.414 3.908 20 0 CHADMN COc1c(F)cc(CN2C3CCCC2CCC3)cc1F ZINC001138424585 1131504123 /nfs/dbraw/zinc/50/41/23/1131504123.db2.gz APGQELSGVPHWTA-UHFFFAOYSA-N 0 1 281.346 3.880 20 0 CHADMN COc1c(C)cc(CN2CCc3cc(O)ccc3C2)cc1C ZINC001138428179 1131504257 /nfs/dbraw/zinc/50/42/57/1131504257.db2.gz GQYJIODAICIUMS-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN CCOc1ccc(C[N@H+]2CCc3ncc(C)cc3C2)c(C)c1 ZINC001138437643 1131506163 /nfs/dbraw/zinc/50/61/63/1131506163.db2.gz WYXXFWFUAWFPCZ-UHFFFAOYSA-N 0 1 296.414 3.655 20 0 CHADMN CCOc1ccc(CN2CCc3ncc(C)cc3C2)c(C)c1 ZINC001138437643 1131506166 /nfs/dbraw/zinc/50/61/66/1131506166.db2.gz WYXXFWFUAWFPCZ-UHFFFAOYSA-N 0 1 296.414 3.655 20 0 CHADMN CC(C)[C@H]1N(Cc2cnc([C@@H](C)O)s2)CC12CCCC2 ZINC000825339085 1131507464 /nfs/dbraw/zinc/50/74/64/1131507464.db2.gz ZYYXVKWJFHMFQE-TZMCWYRMSA-N 0 1 294.464 3.597 20 0 CHADMN COc1ccc(CN2CCC[C@H](F)CC2)cc1Cl ZINC001138470491 1131510371 /nfs/dbraw/zinc/51/03/71/1131510371.db2.gz VYOUASRVRFFELB-LBPRGKRZSA-N 0 1 271.763 3.673 20 0 CHADMN COc1cncc(CN[C@]2(c3ccccc3)CC2(C)C)c1C ZINC001203249409 1131513318 /nfs/dbraw/zinc/51/33/18/1131513318.db2.gz QQGMDLBDCKASHW-IBGZPJMESA-N 0 1 296.414 3.814 20 0 CHADMN CN(CCF)[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171090795 1131514074 /nfs/dbraw/zinc/51/40/74/1131514074.db2.gz KENFREWUKUJMGW-NSHDSACASA-N 0 1 276.182 3.752 20 0 CHADMN COc1ccc2[nH]cc(CN3CCc4ccsc4C3)c2c1 ZINC001138511092 1131515756 /nfs/dbraw/zinc/51/57/56/1131515756.db2.gz WNKUJOLUMIQMNH-UHFFFAOYSA-N 0 1 298.411 3.796 20 0 CHADMN COc1ccc(-c2ccc(CN3CC[C@@H](F)C3)cc2)cc1 ZINC001138515245 1131515780 /nfs/dbraw/zinc/51/57/80/1131515780.db2.gz MAUFRUBIJWBTDZ-QGZVFWFLSA-N 0 1 285.362 3.906 20 0 CHADMN CCCc1ccc(CN2CCC[C@H]2c2cnccn2)s1 ZINC001138525616 1131516939 /nfs/dbraw/zinc/51/69/39/1131516939.db2.gz HCSZIKWYLALPAO-INIZCTEOSA-N 0 1 287.432 3.828 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)/C=C/C3CCCC3)ccc12 ZINC000843844902 1131518943 /nfs/dbraw/zinc/51/89/43/1131518943.db2.gz AGWIEBPZKSNXGP-RMKNXTFCSA-N 0 1 269.348 3.556 20 0 CHADMN CC(C)c1cc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n[nH]1 ZINC000831925538 1131521260 /nfs/dbraw/zinc/52/12/60/1131521260.db2.gz GVIWQXOOIXURHG-OAHLLOKOSA-N 0 1 297.402 3.553 20 0 CHADMN CN(Cc1ccccc1N1CCCC1)C1CC(F)(F)C1 ZINC001138609860 1131525799 /nfs/dbraw/zinc/52/57/99/1131525799.db2.gz HJDDYANNEWZJOY-UHFFFAOYSA-N 0 1 280.362 3.516 20 0 CHADMN CCN(CCOC)Cc1ccc(C(F)(F)F)cc1Cl ZINC001143707036 1131526759 /nfs/dbraw/zinc/52/67/59/1131526759.db2.gz XUXFIRLYUOWRQX-UHFFFAOYSA-N 0 1 295.732 3.827 20 0 CHADMN Cc1c(F)cc(F)cc1C[N@@H+]1CC[C@H](C)C[C@@H]1C ZINC001143767703 1131530696 /nfs/dbraw/zinc/53/06/96/1131530696.db2.gz IDNQCORKOBRLHN-QWRGUYRKSA-N 0 1 253.336 3.894 20 0 CHADMN CSCCN(C)Cc1ccc(OC(F)(F)F)cc1F ZINC001143793878 1131534614 /nfs/dbraw/zinc/53/46/14/1131534614.db2.gz NCCQSAQVHAKYHL-UHFFFAOYSA-N 0 1 297.317 3.519 20 0 CHADMN C[C@]1(CF)CCN(Cc2cc(F)ccc2Cl)C1 ZINC001138672039 1131535100 /nfs/dbraw/zinc/53/51/00/1131535100.db2.gz OVGNGYOAMFPACF-CYBMUJFWSA-N 0 1 259.727 3.661 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC[C@H](F)CC2)c1 ZINC001138672266 1131535285 /nfs/dbraw/zinc/53/52/85/1131535285.db2.gz WIHFHFNQLCBGBL-NSHDSACASA-N 0 1 259.727 3.803 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC3(CCCOC3)CC2)c1 ZINC001138674665 1131535320 /nfs/dbraw/zinc/53/53/20/1131535320.db2.gz AFNNWIZOXAUWNZ-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN CNc1ncccc1CN(C)Cc1ccc2ccccc2c1 ZINC001138695107 1131537825 /nfs/dbraw/zinc/53/78/25/1131537825.db2.gz WOUJXGDBIRZZDS-UHFFFAOYSA-N 0 1 291.398 3.909 20 0 CHADMN COc1c(F)cc(CN2C[C@@H](C)CC23CC3)cc1Cl ZINC001143853503 1131542455 /nfs/dbraw/zinc/54/24/55/1131542455.db2.gz HFPZFNFKLZOWEX-JTQLQIEISA-N 0 1 283.774 3.862 20 0 CHADMN COc1cc(C)c(CN2CC[C@@](C)(F)[C@@H](F)C2)c(C)c1C ZINC001138725588 1131542854 /nfs/dbraw/zinc/54/28/54/1131542854.db2.gz KQMMFSMWDMPQDH-DLBZAZTESA-N 0 1 297.389 3.892 20 0 CHADMN C[C@@H]1CCCN(Cc2ccnc(Br)c2)C[C@H]1C ZINC001138731415 1131543365 /nfs/dbraw/zinc/54/33/65/1131543365.db2.gz RTYYAXQGSKXKJD-VXGBXAGGSA-N 0 1 297.240 3.712 20 0 CHADMN COc1cc(Cl)cc(CN2CC[C@H](C)C[C@H]2C)c1OC ZINC001138746367 1131544323 /nfs/dbraw/zinc/54/43/23/1131544323.db2.gz ZQURHOLLJZGVIT-NWDGAFQWSA-N 0 1 297.826 3.978 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(Cl)cc(OC)c2OC)C1 ZINC001138746106 1131544393 /nfs/dbraw/zinc/54/43/93/1131544393.db2.gz OONPNKNORIQXHU-GFCCVEGCSA-N 0 1 297.826 3.979 20 0 CHADMN COc1ccc(CN2[C@H](C)CCC[C@@H]2C)c(F)c1F ZINC001143902727 1131549292 /nfs/dbraw/zinc/54/92/92/1131549292.db2.gz KEKBEPUQSTWUBD-PHIMTYICSA-N 0 1 269.335 3.736 20 0 CHADMN COc1ccc(CN(C)CCc2ccccc2)c(F)c1F ZINC001143902456 1131549353 /nfs/dbraw/zinc/54/93/53/1131549353.db2.gz DNZOKXJDLHQPQP-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN COc1ccc(Cl)c(CN2C[C@@H]3[C@H](C2)C3(C)C)c1F ZINC001143898585 1131549973 /nfs/dbraw/zinc/54/99/73/1131549973.db2.gz YZHNCCHAYKQHLI-PHIMTYICSA-N 0 1 283.774 3.576 20 0 CHADMN Fc1ncccc1CN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001138793873 1131550014 /nfs/dbraw/zinc/55/00/14/1131550014.db2.gz NSURAIVZMVPTAD-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1cccc2ccnn21 ZINC001138807578 1131550858 /nfs/dbraw/zinc/55/08/58/1131550858.db2.gz OVFKWJWHGFADFQ-UHFFFAOYSA-N 0 1 279.387 3.665 20 0 CHADMN CC(C)=CC(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001143926623 1131551905 /nfs/dbraw/zinc/55/19/05/1131551905.db2.gz ZZYXJSOOFVHRNF-UHFFFAOYSA-N 0 1 260.120 3.604 20 0 CHADMN COc1cccc2c1CN(Cc1ccc3occc3c1)CC2 ZINC001138822767 1131552249 /nfs/dbraw/zinc/55/22/49/1131552249.db2.gz PDMHPKOXSAQBRI-UHFFFAOYSA-N 0 1 293.366 4.000 20 0 CHADMN Cc1c(CN2CCC[C@H]3C[C@H]32)cccc1C(F)(F)F ZINC001143929545 1131552939 /nfs/dbraw/zinc/55/29/39/1131552939.db2.gz QQIBZCKIEQOBKG-SMDDNHRTSA-N 0 1 269.310 3.998 20 0 CHADMN CN(Cc1ccc2occc2c1)Cc1cccc2c1OCO2 ZINC001138826184 1131553290 /nfs/dbraw/zinc/55/32/90/1131553290.db2.gz RPPIIPPFQSACEB-UHFFFAOYSA-N 0 1 295.338 3.794 20 0 CHADMN COc1ccc(CN2CC[C@H](C)C[C@H]2C)c(F)c1F ZINC001143914644 1131553963 /nfs/dbraw/zinc/55/39/63/1131553963.db2.gz ASWQHTIVVJSUQT-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN COc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C)c(F)c1F ZINC001143914644 1131553958 /nfs/dbraw/zinc/55/39/58/1131553958.db2.gz ASWQHTIVVJSUQT-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN Clc1cccc2c(CN3CC(c4cccnc4)C3)c[nH]c21 ZINC001138833583 1131554560 /nfs/dbraw/zinc/55/45/60/1131554560.db2.gz FXYPTYFDZHAKLW-UHFFFAOYSA-N 0 1 297.789 3.816 20 0 CHADMN CCCN(CCC)Cc1c(F)ccc(OC)c1F ZINC001143970337 1131561360 /nfs/dbraw/zinc/56/13/60/1131561360.db2.gz IEWVLJZTOZXAPG-UHFFFAOYSA-N 0 1 257.324 3.595 20 0 CHADMN FC(F)[C@H]1CCCN(Cc2cnc3[nH]ccc3c2Cl)C1 ZINC001138936718 1131562797 /nfs/dbraw/zinc/56/27/97/1131562797.db2.gz UPDBDWIDESRUBT-VIFPVBQESA-N 0 1 299.752 3.645 20 0 CHADMN COc1ccc(F)c(CN2CCC[C@H]3CCC[C@H]32)c1F ZINC001143979287 1131564697 /nfs/dbraw/zinc/56/46/97/1131564697.db2.gz YEVAJWRHOSVQNP-BXUZGUMPSA-N 0 1 281.346 3.738 20 0 CHADMN CCCCOc1cccc(CN(C)Cc2cccnc2)c1 ZINC001138954686 1131565275 /nfs/dbraw/zinc/56/52/75/1131565275.db2.gz MWOYRQOXSANRRS-UHFFFAOYSA-N 0 1 284.403 3.893 20 0 CHADMN CCC(=O)Oc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC001138965557 1131566048 /nfs/dbraw/zinc/56/60/48/1131566048.db2.gz VVBKVZYBGJHVLO-SFHVURJKSA-N 0 1 295.382 3.949 20 0 CHADMN CCC(=O)Oc1ccc(CN2CC[C@H]2c2ccccc2)cc1 ZINC001138965557 1131566052 /nfs/dbraw/zinc/56/60/52/1131566052.db2.gz VVBKVZYBGJHVLO-SFHVURJKSA-N 0 1 295.382 3.949 20 0 CHADMN CCCOc1ccccc1CN1CCCCC12CC2 ZINC001138998248 1131570352 /nfs/dbraw/zinc/57/03/52/1131570352.db2.gz IRQDHMDFZFQDQY-UHFFFAOYSA-N 0 1 259.393 3.994 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CCC[C@H]2C[C@H]21 ZINC001139011430 1131572115 /nfs/dbraw/zinc/57/21/15/1131572115.db2.gz RBGIDJPVCIFIIJ-SMDDNHRTSA-N 0 1 265.784 3.723 20 0 CHADMN C[N@H+]1CCN(C(=O)CC2CCCCCC2)C[C@H]1C(C)(C)C ZINC001144025663 1131573044 /nfs/dbraw/zinc/57/30/44/1131573044.db2.gz WEGSQHWVQAGNBX-INIZCTEOSA-N 0 1 294.483 3.536 20 0 CHADMN CN1CCN(C(=O)CC2CCCCCC2)C[C@H]1C(C)(C)C ZINC001144025663 1131573048 /nfs/dbraw/zinc/57/30/48/1131573048.db2.gz WEGSQHWVQAGNBX-INIZCTEOSA-N 0 1 294.483 3.536 20 0 CHADMN CCN(Cc1cc2ccccc2o1)Cc1cccnc1 ZINC001139065070 1131578656 /nfs/dbraw/zinc/57/86/56/1131578656.db2.gz ACUISGXNWQUXIM-UHFFFAOYSA-N 0 1 266.344 3.850 20 0 CHADMN CCn1ccc2ccc(CN3CCc4cnccc4C3)cc21 ZINC001139119094 1131583374 /nfs/dbraw/zinc/58/33/74/1131583374.db2.gz BNVOYNOTRJXCGZ-UHFFFAOYSA-N 0 1 291.398 3.615 20 0 CHADMN COc1cc(O)ccc1CN1CCc2ccccc2[C@H]1C ZINC001139138205 1131584332 /nfs/dbraw/zinc/58/43/32/1131584332.db2.gz MVEWNKMYVUJCJF-CYBMUJFWSA-N 0 1 283.371 3.520 20 0 CHADMN COc1cc(O)ccc1CN1Cc2ccccc2[C@H](C)C1 ZINC001139138596 1131585000 /nfs/dbraw/zinc/58/50/00/1131585000.db2.gz RUXJIPCEXDGEAR-CYBMUJFWSA-N 0 1 283.371 3.520 20 0 CHADMN COc1ccc2c(c1)c(CN1CCC[C@](C)(F)C1)cn2C ZINC001139148294 1131585406 /nfs/dbraw/zinc/58/54/06/1131585406.db2.gz DVPHBTINDROWQO-KRWDZBQOSA-N 0 1 290.382 3.511 20 0 CHADMN COc1ccc2c(c1)c(CN1CCCC[C@H](F)C1)cn2C ZINC001139149011 1131586101 /nfs/dbraw/zinc/58/61/01/1131586101.db2.gz NDLDGIOUAJRXTD-AWEZNQCLSA-N 0 1 290.382 3.511 20 0 CHADMN CCCC(C)(C)C(=O)Nc1cc2n[nH]c(C)c2c(F)c1 ZINC001144123286 1131587620 /nfs/dbraw/zinc/58/76/20/1131587620.db2.gz NCFZQHITRPHAON-UHFFFAOYSA-N 0 1 277.343 3.775 20 0 CHADMN CCCCc1nc(Cl)c(CN2C[C@H](C)C[C@@H](C)C2)[nH]1 ZINC001139179127 1131591391 /nfs/dbraw/zinc/59/13/91/1131591391.db2.gz GOCFGISNZUQWRV-VXGBXAGGSA-N 0 1 283.847 3.884 20 0 CHADMN Cc1cccc2[nH]cc(CN3CCc4c(O)cccc4C3)c21 ZINC001139192365 1131594031 /nfs/dbraw/zinc/59/40/31/1131594031.db2.gz PGCFCLMFZVWNPV-UHFFFAOYSA-N 0 1 292.382 3.740 20 0 CHADMN CC(=O)CN(C)Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001139198407 1131594628 /nfs/dbraw/zinc/59/46/28/1131594628.db2.gz NBXIXQXEIWOYHN-UHFFFAOYSA-N 0 1 292.382 3.856 20 0 CHADMN Cc1cccc2[nH]cc(CN3CCc4occc4C3)c21 ZINC001139199873 1131595511 /nfs/dbraw/zinc/59/55/11/1131595511.db2.gz SSQQFSWXMVNGKE-UHFFFAOYSA-N 0 1 266.344 3.628 20 0 CHADMN Cn1ccc2ccc(CN3CCC[C@](C)(F)C3)cc21 ZINC001139201067 1131596421 /nfs/dbraw/zinc/59/64/21/1131596421.db2.gz IVXKICYPMZCJSF-INIZCTEOSA-N 0 1 260.356 3.502 20 0 CHADMN CN(Cc1ccc2ccn(C)c2c1)Cc1ccccc1F ZINC001139203919 1131596575 /nfs/dbraw/zinc/59/65/75/1131596575.db2.gz DGQCAZFPOKXEJK-UHFFFAOYSA-N 0 1 282.362 3.949 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2ccc3cc[nH]c3n2)cn1 ZINC001144186106 1131597015 /nfs/dbraw/zinc/59/70/15/1131597015.db2.gz PSQXYUYSDCVKHX-QGZVFWFLSA-N 0 1 292.386 3.603 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1ccc2cc[nH]c2n1 ZINC001144186377 1131597547 /nfs/dbraw/zinc/59/75/47/1131597547.db2.gz VJOXVMCLUUICML-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN Cc1cc(Br)cc(CN2CCCC23CC3)c1 ZINC001144212903 1131598384 /nfs/dbraw/zinc/59/83/84/1131598384.db2.gz QHVGDNRYOHZOAU-UHFFFAOYSA-N 0 1 280.209 3.886 20 0 CHADMN C[C@]1(F)CCCN(Cc2ccc3cc(O)ccc3c2)C1 ZINC001139337246 1131602736 /nfs/dbraw/zinc/60/27/36/1131602736.db2.gz PCYPVGYYTPCSNS-KRWDZBQOSA-N 0 1 273.351 3.869 20 0 CHADMN Clc1cnc(Cl)c(CN2CCCCC23CC3)c1 ZINC001139359303 1131605058 /nfs/dbraw/zinc/60/50/58/1131605058.db2.gz RZAYZBFCBYACAO-UHFFFAOYSA-N 0 1 271.191 3.907 20 0 CHADMN CN(Cc1cc(Cl)cnc1Cl)C[C@@H]1CC1(C)C ZINC001139359124 1131605125 /nfs/dbraw/zinc/60/51/25/1131605125.db2.gz LVDQVNFBHVPZOP-JTQLQIEISA-N 0 1 273.207 3.866 20 0 CHADMN CN(Cc1cc(Cl)cnc1Cl)C[C@H]1CC1(C)C ZINC001139359125 1131605488 /nfs/dbraw/zinc/60/54/88/1131605488.db2.gz LVDQVNFBHVPZOP-SNVBAGLBSA-N 0 1 273.207 3.866 20 0 CHADMN C[C@@H]1CCN1Cc1cc2ccc(Br)cc2[nH]1 ZINC001139470503 1131609620 /nfs/dbraw/zinc/60/96/20/1131609620.db2.gz NHZHMTOCYQUITF-SECBINFHSA-N 0 1 279.181 3.525 20 0 CHADMN F[C@@H]1CN(Cc2ccc(-c3ccsc3)nc2)C[C@@H]2C[C@@H]21 ZINC001139497980 1131611969 /nfs/dbraw/zinc/61/19/69/1131611969.db2.gz AGHNNLQOTLWMTO-SOUVJXGZSA-N 0 1 288.391 3.600 20 0 CHADMN Cc1cc(CN2[C@H](C)CCC[C@H]2C)cnc1Cl ZINC001139542680 1131614174 /nfs/dbraw/zinc/61/41/74/1131614174.db2.gz NHTLRZVVISFIIE-VXGBXAGGSA-N 0 1 252.789 3.806 20 0 CHADMN Cc1cc(CN2CCC[C@@](C)(F)CC2)cnc1Cl ZINC001139540911 1131614541 /nfs/dbraw/zinc/61/45/41/1131614541.db2.gz JQPGVCQLRVVBIK-CQSZACIVSA-N 0 1 270.779 3.758 20 0 CHADMN Fc1ccccc1[C@H]1CCN(Cc2cc(Cl)ccn2)C1 ZINC001139563568 1131616836 /nfs/dbraw/zinc/61/68/36/1131616836.db2.gz KZOFCBWNXSEKEM-LBPRGKRZSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1cnc(Cl)c(CN(C)C2CCCCC2)c1 ZINC001139589057 1131618581 /nfs/dbraw/zinc/61/85/81/1131618581.db2.gz XDRONTFHBQFRQA-UHFFFAOYSA-N 0 1 252.789 3.808 20 0 CHADMN CCOc1ccc(CN2CC[C@@H](OC)C[C@@H]2C)cc1Cl ZINC001139598705 1131620149 /nfs/dbraw/zinc/62/01/49/1131620149.db2.gz WCKCVDDMEHBAAE-GXTWGEPZSA-N 0 1 297.826 3.738 20 0 CHADMN CCOc1ccc(C)cc1CN1CCc2ccccc2C1 ZINC001139602554 1131620608 /nfs/dbraw/zinc/62/06/08/1131620608.db2.gz RCRYNYIZSVNBQY-UHFFFAOYSA-N 0 1 281.399 3.952 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(O)cc2C(F)(F)F)C1 ZINC001144377956 1131622219 /nfs/dbraw/zinc/62/22/19/1131622219.db2.gz MNJLICKZGOIZJY-SNVBAGLBSA-N 0 1 273.298 3.643 20 0 CHADMN COc1ccc(CN2CCC[C@@H]2CF)cc1C(C)C ZINC001139618901 1131623473 /nfs/dbraw/zinc/62/34/73/1131623473.db2.gz QBOLARWEOITRRU-CQSZACIVSA-N 0 1 265.372 3.753 20 0 CHADMN CC1(F)CCN(Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001144381967 1131623546 /nfs/dbraw/zinc/62/35/46/1131623546.db2.gz QZTVSEAAZSUNPK-UHFFFAOYSA-N 0 1 291.288 3.735 20 0 CHADMN Cc1cc(O)cc(C)c1C[N@H+]1CCc2sccc2C1 ZINC001139709324 1131631211 /nfs/dbraw/zinc/63/12/11/1131631211.db2.gz FHDLJXLTICMWRP-UHFFFAOYSA-N 0 1 273.401 3.629 20 0 CHADMN Cc1cc(O)cc(C)c1CN1CCc2sccc2C1 ZINC001139709324 1131631215 /nfs/dbraw/zinc/63/12/15/1131631215.db2.gz FHDLJXLTICMWRP-UHFFFAOYSA-N 0 1 273.401 3.629 20 0 CHADMN Cc1cccc(F)c1CNCc1cncc2ccccc21 ZINC000772921404 1131633358 /nfs/dbraw/zinc/63/33/58/1131633358.db2.gz OGARIVLAEBVYDW-UHFFFAOYSA-N 0 1 280.346 3.972 20 0 CHADMN COc1ccc(-c2ncc(CN3CC(C)(C)C3)s2)cc1 ZINC001139789870 1131636701 /nfs/dbraw/zinc/63/67/01/1131636701.db2.gz NOWQTUQTBFRJFV-UHFFFAOYSA-N 0 1 288.416 3.661 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1cnc(OC)c(F)c1 ZINC001144467216 1131640813 /nfs/dbraw/zinc/64/08/13/1131640813.db2.gz AADLJXKPXYOIQI-MRXNPFEDSA-N 0 1 288.366 3.812 20 0 CHADMN C[C@H]1CN(Cc2cccc3c4ccccc4oc32)CCC1=O ZINC001139857359 1131641386 /nfs/dbraw/zinc/64/13/86/1131641386.db2.gz JDNGRBCLALQFJP-ZDUSSCGKSA-N 0 1 293.366 3.997 20 0 CHADMN COc1ncc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)cc1F ZINC001144469846 1131641742 /nfs/dbraw/zinc/64/17/42/1131641742.db2.gz VGIUDBVIXNPLBE-OAHLLOKOSA-N 0 1 292.398 3.632 20 0 CHADMN c1ccc2c(c1)oc1c2cccc1CN1CCOC2(CC2)C1 ZINC001139858285 1131642409 /nfs/dbraw/zinc/64/24/09/1131642409.db2.gz CMHWZVXKGNBLPP-UHFFFAOYSA-N 0 1 293.366 3.951 20 0 CHADMN Cn1c(CN2CCC[C@H]3CCC[C@@H]32)cc2ccccc21 ZINC001139871621 1131642968 /nfs/dbraw/zinc/64/29/68/1131642968.db2.gz IMKQWBYXASBTNF-KDOFPFPSSA-N 0 1 268.404 3.943 20 0 CHADMN Fc1ccc(CN2CC3(CSC3)C2)c2ccccc12 ZINC001139892003 1131647874 /nfs/dbraw/zinc/64/78/74/1131647874.db2.gz BDPWDJMBMPDRQC-UHFFFAOYSA-N 0 1 273.376 3.528 20 0 CHADMN Cc1ccc(CN(C)C/C=C/c2ccccc2)cn1 ZINC001139933334 1131651874 /nfs/dbraw/zinc/65/18/74/1131651874.db2.gz YLHKMKKGGRBBQV-RMKNXTFCSA-N 0 1 252.361 3.535 20 0 CHADMN c1ccc(CCCC2CCN(Cc3ccnnc3)CC2)cc1 ZINC001139980294 1131653458 /nfs/dbraw/zinc/65/34/58/1131653458.db2.gz MYXULRWLNHOIRM-UHFFFAOYSA-N 0 1 295.430 3.712 20 0 CHADMN CCC[N@H+](Cc1c(F)cc([O-])cc1F)[C@@H](C)CC ZINC001144541940 1131653506 /nfs/dbraw/zinc/65/35/06/1131653506.db2.gz MWEOWLRMBAZSIM-JTQLQIEISA-N 0 1 257.324 3.681 20 0 CHADMN CCC[N@@H+](Cc1c(F)cc([O-])cc1F)[C@@H](C)CC ZINC001144541940 1131653510 /nfs/dbraw/zinc/65/35/10/1131653510.db2.gz MWEOWLRMBAZSIM-JTQLQIEISA-N 0 1 257.324 3.681 20 0 CHADMN C[C@H](c1cccc2ccccc21)N(C)Cc1cccnn1 ZINC001139974228 1131653619 /nfs/dbraw/zinc/65/36/19/1131653619.db2.gz WQBXXPMVWDGUEJ-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN CN(Cc1ccnnc1)C(c1ccccc1)c1ccccc1 ZINC001139980837 1131653804 /nfs/dbraw/zinc/65/38/04/1131653804.db2.gz ZJVATBWBFNPYSW-UHFFFAOYSA-N 0 1 289.382 3.698 20 0 CHADMN CC1(C)CN(Cc2cc3ccccc3cn2)CC(C)(C)O1 ZINC001140001600 1131656413 /nfs/dbraw/zinc/65/64/13/1131656413.db2.gz URXQYAMTBUBGBO-UHFFFAOYSA-N 0 1 284.403 3.624 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CCCC3(CC(F)C3)CC2)c1 ZINC001140051533 1131658448 /nfs/dbraw/zinc/65/84/48/1131658448.db2.gz MKUSZDPOVSLAEU-UHFFFAOYSA-N 0 1 281.346 3.636 20 0 CHADMN COc1c(Cl)cccc1CN1CCC(C)CC1 ZINC001140056282 1131659683 /nfs/dbraw/zinc/65/96/83/1131659683.db2.gz PKGHMLWIFIUELN-UHFFFAOYSA-N 0 1 253.773 3.581 20 0 CHADMN CCC[N@@H+](Cc1c(F)cc([O-])cc1F)CC(C)C ZINC001144561961 1131659803 /nfs/dbraw/zinc/65/98/03/1131659803.db2.gz RJKWYRRRJILVDJ-UHFFFAOYSA-N 0 1 257.324 3.538 20 0 CHADMN CCC[N@H+](Cc1c(F)cc([O-])cc1F)CC(C)C ZINC001144561961 1131659806 /nfs/dbraw/zinc/65/98/06/1131659806.db2.gz RJKWYRRRJILVDJ-UHFFFAOYSA-N 0 1 257.324 3.538 20 0 CHADMN CC[N@@H+](Cc1[nH]nc2ccc(OC)cc21)Cc1ccccc1 ZINC001140065375 1131661647 /nfs/dbraw/zinc/66/16/47/1131661647.db2.gz GKOSCIMURHMBLO-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN COc1c(Cl)cccc1CN1CCC(OC(C)C)CC1 ZINC001140067323 1131661775 /nfs/dbraw/zinc/66/17/75/1131661775.db2.gz HRAYVWXBYVBHFB-UHFFFAOYSA-N 0 1 297.826 3.738 20 0 CHADMN CC[C@@H](C)N(C)Cc1cnc(Br)cc1Cl ZINC001140076280 1131661945 /nfs/dbraw/zinc/66/19/45/1131661945.db2.gz SHZONMHLPNRSCJ-MRVPVSSYSA-N 0 1 291.620 3.728 20 0 CHADMN C[C@H]1CCN(Cc2ccc(O)cc2Cl)CCC1(F)F ZINC001140081528 1131662029 /nfs/dbraw/zinc/66/20/29/1131662029.db2.gz TWPNQDXNTIRZPL-JTQLQIEISA-N 0 1 289.753 3.913 20 0 CHADMN Oc1ccc(CN2CCC(c3cccs3)CC2)c(F)c1 ZINC001140126320 1131665606 /nfs/dbraw/zinc/66/56/06/1131665606.db2.gz BBUGVNZLXGXDMH-UHFFFAOYSA-N 0 1 291.391 3.972 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1ccc(O)cc1F ZINC001140128679 1131666607 /nfs/dbraw/zinc/66/66/07/1131666607.db2.gz YPQCQIVULYDQQD-UHFFFAOYSA-N 0 1 289.350 3.562 20 0 CHADMN CC[C@@H](Nc1ccc2c(n1)NCCO2)c1ccccc1C ZINC001171201973 1131667959 /nfs/dbraw/zinc/66/79/59/1131667959.db2.gz VIFXXXAHNCDEDV-CQSZACIVSA-N 0 1 283.375 3.758 20 0 CHADMN F[C@H]1CCCN(Cc2ccc(-c3ccncc3)cc2)C1 ZINC001140171255 1131671303 /nfs/dbraw/zinc/67/13/03/1131671303.db2.gz JTPLEBXBFBLTIN-KRWDZBQOSA-N 0 1 270.351 3.683 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc1F ZINC001144657666 1131675666 /nfs/dbraw/zinc/67/56/66/1131675666.db2.gz CKAZZFZWQNBEGX-XHDPSFHLSA-N 0 1 281.346 3.825 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2cc(F)c([O-])cc2F)CC1 ZINC001144664135 1131676851 /nfs/dbraw/zinc/67/68/51/1131676851.db2.gz WRVMJVPENMXIAV-UMSPYCQHSA-N 0 1 269.335 3.681 20 0 CHADMN C[C@]1(F)CCCCN(Cc2c[nH]c3cccc(O)c23)C1 ZINC001140229951 1131680118 /nfs/dbraw/zinc/68/01/18/1131680118.db2.gz KSPCYIRYAYZKGR-INIZCTEOSA-N 0 1 276.355 3.588 20 0 CHADMN CCCN(CCC)c1ccc(NCc2csnn2)cc1 ZINC000846055256 1131685364 /nfs/dbraw/zinc/68/53/64/1131685364.db2.gz ACIYATYRAGQJCB-UHFFFAOYSA-N 0 1 290.436 3.777 20 0 CHADMN C[C@H]1CN(Cc2coc(C3CC3)n2)CCc2ccccc21 ZINC000846067876 1131686886 /nfs/dbraw/zinc/68/68/86/1131686886.db2.gz ZRHGKICQTSPYHN-ZDUSSCGKSA-N 0 1 282.387 3.714 20 0 CHADMN CCc1cccc(CNCc2cccnc2Cl)c1 ZINC000846100516 1131689278 /nfs/dbraw/zinc/68/92/78/1131689278.db2.gz OFQLXRXABASMQM-UHFFFAOYSA-N 0 1 260.768 3.587 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCC[C@H]3c3nccs3)c2c1 ZINC001140330170 1131699245 /nfs/dbraw/zinc/69/92/45/1131699245.db2.gz OTAAYNCZKRQSFW-HNNXBMFYSA-N 0 1 298.415 3.665 20 0 CHADMN COc1cccc(CN(C)Cc2n[nH]c3ccc(C)cc32)c1 ZINC001140330757 1131700491 /nfs/dbraw/zinc/70/04/91/1131700491.db2.gz JCLJIBGGZHCERJ-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN COc1cccc(CN(C)Cc2[nH]nc3ccc(C)cc32)c1 ZINC001140330757 1131700493 /nfs/dbraw/zinc/70/04/93/1131700493.db2.gz JCLJIBGGZHCERJ-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN CC[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1ccncc1 ZINC000834756109 1131702833 /nfs/dbraw/zinc/70/28/33/1131702833.db2.gz KFESNSNIOMIMFP-QGZVFWFLSA-N 0 1 287.382 3.846 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)C1CCCCCCC1 ZINC000846243300 1131702851 /nfs/dbraw/zinc/70/28/51/1131702851.db2.gz HAMTTWQOYJYIHD-UHFFFAOYSA-N 0 1 279.380 3.831 20 0 CHADMN C/C(=C/C[N@H+]1CCCC[C@@H]1CCc1ccccc1)C(=O)[O-] ZINC000846244384 1131703510 /nfs/dbraw/zinc/70/35/10/1131703510.db2.gz IJYANFUXZVIKRQ-MLRPBERTSA-N 0 1 287.403 3.505 20 0 CHADMN CC1CCC(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000846249382 1131703933 /nfs/dbraw/zinc/70/39/33/1131703933.db2.gz OLLZHOGNJNGRPB-ZBCRRDGASA-N 0 1 275.392 3.570 20 0 CHADMN CCc1ccc([C@H]2CCCCC[N@H+]2C/C=C(\C)C(=O)[O-])o1 ZINC000846249329 1131703979 /nfs/dbraw/zinc/70/39/79/1131703979.db2.gz MVPSPZXIOMCGCS-NRMKIYEFSA-N 0 1 291.391 3.790 20 0 CHADMN C/C(=C\C[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000846252253 1131704315 /nfs/dbraw/zinc/70/43/15/1131704315.db2.gz WMKSKZALZPEDBK-RRWNYDGOSA-N 0 1 287.403 3.594 20 0 CHADMN CSc1ccccc1[C@@H]1CCCN1Cc1ccncn1 ZINC001140348859 1131704996 /nfs/dbraw/zinc/70/49/96/1131704996.db2.gz CYRQSJOAEAEYGE-HNNXBMFYSA-N 0 1 285.416 3.536 20 0 CHADMN O=C([O-])[C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc3ccccc31)C2 ZINC000846283842 1131705062 /nfs/dbraw/zinc/70/50/62/1131705062.db2.gz IEMRSMHWYJWFMV-VQIMIIECSA-N 0 1 295.382 3.527 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cc3ccccc3s2)[C@H](C(=O)[O-])C1 ZINC000846281163 1131705373 /nfs/dbraw/zinc/70/53/73/1131705373.db2.gz UDUBUPDVRITYOB-FZMZJTMJSA-N 0 1 289.400 3.586 20 0 CHADMN C[C@H](c1cccc2ccccc21)N(C)Cc1ccncn1 ZINC001140351121 1131705743 /nfs/dbraw/zinc/70/57/43/1131705743.db2.gz RUIINEMDNJTOTK-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN Cc1ccc(N(CC(C)C)C(=O)CCc2cnc[nH]2)c(C)c1 ZINC000846301815 1131706178 /nfs/dbraw/zinc/70/61/78/1131706178.db2.gz ZQXUSFSNDRBBSY-UHFFFAOYSA-N 0 1 299.418 3.648 20 0 CHADMN CC[N@@H+](Cc1sc(N2CCCC2)nc1Cl)C(C)C ZINC001140360361 1131706874 /nfs/dbraw/zinc/70/68/74/1131706874.db2.gz IKTZINWMDJUDDM-UHFFFAOYSA-N 0 1 287.860 3.627 20 0 CHADMN CCN(Cc1sc(N2CCCC2)nc1Cl)C(C)C ZINC001140360361 1131706876 /nfs/dbraw/zinc/70/68/76/1131706876.db2.gz IKTZINWMDJUDDM-UHFFFAOYSA-N 0 1 287.860 3.627 20 0 CHADMN c1ccc(-c2ccc(CN3CCCCC34COC4)cc2)nc1 ZINC001140378934 1131708353 /nfs/dbraw/zinc/70/83/53/1131708353.db2.gz GXSOBEUELAHFJE-UHFFFAOYSA-N 0 1 294.398 3.504 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3c(c2)CCC3)cn1 ZINC001203034978 1131722718 /nfs/dbraw/zinc/72/27/18/1131722718.db2.gz MNRKLCTYNREEBH-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN COc1cc(CN[C@@H](C)c2cncs2)ccc1Cl ZINC000834905805 1131728232 /nfs/dbraw/zinc/72/82/32/1131728232.db2.gz UXJFHTYLBPFSPZ-VIFPVBQESA-N 0 1 282.796 3.656 20 0 CHADMN CN(Cc1cnc(Cl)c(F)c1)[C@H]1CCc2ccccc21 ZINC000846772068 1131736985 /nfs/dbraw/zinc/73/69/85/1131736985.db2.gz CZVWQNLQHRDEMH-HNNXBMFYSA-N 0 1 290.769 3.993 20 0 CHADMN Cc1ccc(CN(C)Cc2nc(Cl)ccc2C)cc1 ZINC001140447787 1131741622 /nfs/dbraw/zinc/74/16/22/1131741622.db2.gz LLGLRVMEHZYWFK-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Fc1cccc(F)c1CCCN1CC[C@@H](C(F)(F)F)C1 ZINC000846836722 1131747812 /nfs/dbraw/zinc/74/78/12/1131747812.db2.gz IEYBHRJWMHACLC-SNVBAGLBSA-N 0 1 293.279 3.782 20 0 CHADMN COc1cccc([C@@H](C)NCc2cnc(Cl)c(F)c2)c1 ZINC000846844231 1131748418 /nfs/dbraw/zinc/74/84/18/1131748418.db2.gz XOENXRVLEBCOPO-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN C[C@@H](NCC1(Br)CC1)c1c(F)cccc1F ZINC000846844446 1131748531 /nfs/dbraw/zinc/74/85/31/1131748531.db2.gz ZXAGVTVAIFHDGD-MRVPVSSYSA-N 0 1 290.151 3.543 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN[C@@H]1CCS[C@@H]1C ZINC001203040079 1131756545 /nfs/dbraw/zinc/75/65/45/1131756545.db2.gz YSMLJECXKOIPNS-GHMZBOCLSA-N 0 1 294.445 3.695 20 0 CHADMN CC(=O)C1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000846953762 1131764441 /nfs/dbraw/zinc/76/44/41/1131764441.db2.gz QAKVZDYGRRMJBS-LLVKDONJSA-N 0 1 265.784 3.702 20 0 CHADMN Cc1cc(CN[C@H](c2cccs2)C(C)(C)CO)c(C)o1 ZINC000835057909 1131766031 /nfs/dbraw/zinc/76/60/31/1131766031.db2.gz GRXSOERQHDMXLK-OAHLLOKOSA-N 0 1 293.432 3.807 20 0 CHADMN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(Cl)c(O)c1 ZINC001145066428 1131774083 /nfs/dbraw/zinc/77/40/83/1131774083.db2.gz OWCJONBCQUSWRS-CMPLNLGQSA-N 0 1 281.783 3.600 20 0 CHADMN CCOCC1CCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC001140542560 1131784871 /nfs/dbraw/zinc/78/48/71/1131784871.db2.gz NXUJTOVHKYVHFY-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN CC[C@H]1CCCN(C(=O)c2ccc(Cl)c(O)c2)CC1 ZINC001146331803 1131787625 /nfs/dbraw/zinc/78/76/25/1131787625.db2.gz GTUXOEVJYWMQQJ-NSHDSACASA-N 0 1 281.783 3.698 20 0 CHADMN CCCCC[C@H](NC(=O)CN1CCC(C)CC1)C(C)(C)C ZINC001146540488 1131790814 /nfs/dbraw/zinc/79/08/14/1131790814.db2.gz XEHUNSWYBATCPP-INIZCTEOSA-N 0 1 296.499 3.830 20 0 CHADMN CC[C@@H](NCc1noc(-c2ccccc2C)n1)[C@H]1CC1(C)C ZINC001171287819 1131799439 /nfs/dbraw/zinc/79/94/39/1131799439.db2.gz XKAUTHOWDNKQQS-HUUCEWRRSA-N 0 1 299.418 3.959 20 0 CHADMN Cc1ncc(C(=O)N2CCCC[C@H]2c2ccc(C)c(C)c2)[nH]1 ZINC001146870631 1131801052 /nfs/dbraw/zinc/80/10/52/1131801052.db2.gz XNWQGZVFGJTKFQ-KRWDZBQOSA-N 0 1 297.402 3.702 20 0 CHADMN CN1CC[C@H](Oc2c(Cl)cc(Cl)c3cccnc32)C1 ZINC001228091639 1131808652 /nfs/dbraw/zinc/80/86/52/1131808652.db2.gz CUQTVOCNMGJMBU-VIFPVBQESA-N 0 1 297.185 3.625 20 0 CHADMN Cc1cncc(C(=O)Nc2c(Cl)ccc(O)c2Cl)c1 ZINC001147401242 1131821322 /nfs/dbraw/zinc/82/13/22/1131821322.db2.gz GIGWHIXKPYSPEO-UHFFFAOYSA-N 0 1 297.141 3.655 20 0 CHADMN Cc1cc(CN2C[C@H](C)[C@@H](C)[C@H]2C)cnc1Br ZINC001171309560 1131824176 /nfs/dbraw/zinc/82/41/76/1131824176.db2.gz YUDSEMUIZXLSHU-QJPTWQEYSA-N 0 1 297.240 3.629 20 0 CHADMN Cc1ccc(Br)cc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001140650418 1131845764 /nfs/dbraw/zinc/84/57/64/1131845764.db2.gz MXGDQNLRJZEBQR-UBHSHLNASA-N 0 1 298.199 3.690 20 0 CHADMN CCc1ccccc1C(=O)Nc1nc2cccc(C)c2[nH]1 ZINC001148404455 1131854029 /nfs/dbraw/zinc/85/40/29/1131854029.db2.gz GAHPZPCGDLWGFM-UHFFFAOYSA-N 0 1 279.343 3.686 20 0 CHADMN COc1ccc(CN(Cc2ccco2)C2CC2)c(C)c1 ZINC001140677368 1131856121 /nfs/dbraw/zinc/85/61/21/1131856121.db2.gz KNGRAUQTNFNELG-UHFFFAOYSA-N 0 1 271.360 3.761 20 0 CHADMN Cc1nc2ccc(O[C@@H](C(C)C)C(F)(F)F)cc2[nH]1 ZINC001228326109 1131858685 /nfs/dbraw/zinc/85/86/85/1131858685.db2.gz FMAHBUMHLFUKQQ-LBPRGKRZSA-N 0 1 272.270 3.837 20 0 CHADMN Cc1nc2ccc(OCc3ccnc(OC(C)C)c3)cc2[nH]1 ZINC001228328860 1131859228 /nfs/dbraw/zinc/85/92/28/1131859228.db2.gz JVECKYOKWKJTJS-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN CCOc1cc(C)c(O[C@@H]2CCCN(CC)C2)c(F)c1F ZINC001228358740 1131868154 /nfs/dbraw/zinc/86/81/54/1131868154.db2.gz KLWXAMULGQVLET-GFCCVEGCSA-N 0 1 299.361 3.535 20 0 CHADMN CCCCOc1ccc(O[C@@H]2CCN(CC)C2)c(F)c1F ZINC001228386082 1131872826 /nfs/dbraw/zinc/87/28/26/1131872826.db2.gz RRFJATYUTPVFAW-GFCCVEGCSA-N 0 1 299.361 3.617 20 0 CHADMN CN(CCc1cccnc1)Cc1cc(F)c(Cl)cc1F ZINC001140701771 1131881405 /nfs/dbraw/zinc/88/14/05/1131881405.db2.gz ZRGTWHNYNLHHER-UHFFFAOYSA-N 0 1 296.748 3.688 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cc[nH]c2)CCc2ccc(Cl)cc21 ZINC001140709007 1131890197 /nfs/dbraw/zinc/89/01/97/1131890197.db2.gz PSASHFDDFCOWEF-LBPRGKRZSA-N 0 1 274.795 3.830 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccsc1)c1ccc(Cl)cc1 ZINC000348175329 1131899041 /nfs/dbraw/zinc/89/90/41/1131899041.db2.gz QNPVJIBDAWZJLR-HZMBPMFUSA-N 0 1 281.808 3.786 20 0 CHADMN Cc1cccc([C@@H](C)NCc2nc3cc(F)ccc3n2C)c1 ZINC000772998239 1131908437 /nfs/dbraw/zinc/90/84/37/1131908437.db2.gz GGYFJHMMSVRESO-CYBMUJFWSA-N 0 1 297.377 3.872 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cc(Br)ccn1 ZINC001140764675 1131909275 /nfs/dbraw/zinc/90/92/75/1131909275.db2.gz HNYLHRSVCGQCBW-LLVKDONJSA-N 0 1 283.213 3.609 20 0 CHADMN Cc1cc(F)ccc1CN1CCN(C)C[C@H]1c1ccccc1 ZINC001140777017 1131912447 /nfs/dbraw/zinc/91/24/47/1131912447.db2.gz GWKMJEDQADWWMZ-IBGZPJMESA-N 0 1 298.405 3.623 20 0 CHADMN Cc1cc(Br)c(F)cc1CN1CCC[C@H]1C ZINC001140793370 1131920256 /nfs/dbraw/zinc/92/02/56/1131920256.db2.gz HJTKBVBCXQNMEO-SNVBAGLBSA-N 0 1 286.188 3.881 20 0 CHADMN C[C@@H](NCc1nc2cc(F)ccc2n1C)c1cccs1 ZINC000773002431 1131915441 /nfs/dbraw/zinc/91/54/41/1131915441.db2.gz RWFRGUXGPBVGDO-SNVBAGLBSA-N 0 1 289.379 3.625 20 0 CHADMN Cc1cc(Br)c(F)cc1CN1CC[C@@H](C)C1 ZINC001140791492 1131920463 /nfs/dbraw/zinc/92/04/63/1131920463.db2.gz MWHWMWSVFYYRGM-SECBINFHSA-N 0 1 286.188 3.738 20 0 CHADMN COCCN(Cc1ccc(C)cc1Cl)C(C)C ZINC001140798095 1131924660 /nfs/dbraw/zinc/92/46/60/1131924660.db2.gz AMTQLHIGYDRYOB-UHFFFAOYSA-N 0 1 255.789 3.505 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccco1)[C@H](O)c1c(F)cccc1Cl ZINC000773042233 1131926485 /nfs/dbraw/zinc/92/64/85/1131926485.db2.gz MIVDJKHSKRLQBA-WMFXKJRFSA-N 0 1 297.757 3.845 20 0 CHADMN COc1ccc(CN[C@H]2CSc3ccccc32)c(C)c1 ZINC000773060841 1131932704 /nfs/dbraw/zinc/93/27/04/1131932704.db2.gz UAANOOMAKFXHCC-INIZCTEOSA-N 0 1 285.412 3.940 20 0 CHADMN CCCN(Cc1c(F)cc(OC)cc1F)[C@@H](C)CC ZINC001140824094 1131936786 /nfs/dbraw/zinc/93/67/86/1131936786.db2.gz XGHJWLDCBVEVGB-NSHDSACASA-N 0 1 271.351 3.984 20 0 CHADMN COc1cc(F)c(CN2C[C@@H]3CCCC[C@@H]3C2)c(F)c1 ZINC001140824299 1131937816 /nfs/dbraw/zinc/93/78/16/1131937816.db2.gz CCBJNDPFIAIVGY-TXEJJXNPSA-N 0 1 281.346 3.595 20 0 CHADMN [O-]c1c(Cl)cc(C[N@H+]2CCCC23CC3)cc1Cl ZINC001140829095 1131938880 /nfs/dbraw/zinc/93/88/80/1131938880.db2.gz FKGAVEOATMTOFY-UHFFFAOYSA-N 0 1 272.175 3.827 20 0 CHADMN COc1cc(F)c(CN2CCC[C@H]3CCC[C@H]32)c(F)c1 ZINC001140827666 1131938914 /nfs/dbraw/zinc/93/89/14/1131938914.db2.gz HJNGVGPJXILUFN-BDJLRTHQSA-N 0 1 281.346 3.738 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cccc(F)n1)CCC2 ZINC000773084061 1131939764 /nfs/dbraw/zinc/93/97/64/1131939764.db2.gz AWFRSACNXCMRBD-MRXNPFEDSA-N 0 1 270.351 3.696 20 0 CHADMN CCC[C@@H](NCc1cccc(F)n1)c1ccccc1 ZINC000773085181 1131941429 /nfs/dbraw/zinc/94/14/29/1131941429.db2.gz GEUVOAQKFXRNND-OAHLLOKOSA-N 0 1 258.340 3.852 20 0 CHADMN C[N@H+](Cc1ccncc1)Cc1cc(Cl)c([O-])c(Cl)c1 ZINC001140835493 1131942444 /nfs/dbraw/zinc/94/24/44/1131942444.db2.gz XDJJXYWWVRVIKM-UHFFFAOYSA-N 0 1 297.185 3.726 20 0 CHADMN C[N@@H+](Cc1ccncc1)Cc1cc(Cl)c([O-])c(Cl)c1 ZINC001140835493 1131942449 /nfs/dbraw/zinc/94/24/49/1131942449.db2.gz XDJJXYWWVRVIKM-UHFFFAOYSA-N 0 1 297.185 3.726 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1cc(F)c(F)c(F)c1 ZINC000773115963 1131948444 /nfs/dbraw/zinc/94/84/44/1131948444.db2.gz COZHUYLXLPDBIO-BDAKNGLRSA-N 0 1 268.282 3.844 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1cnn(-c2ccccc2)c1 ZINC000773119342 1131951192 /nfs/dbraw/zinc/95/11/92/1131951192.db2.gz OEMPWLWWRAQGBF-KGLIPLIRSA-N 0 1 280.375 3.612 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000773138463 1131958003 /nfs/dbraw/zinc/95/80/03/1131958003.db2.gz LEZOKTYADDTDOD-IUODEOHRSA-N 0 1 284.407 3.575 20 0 CHADMN Cc1cc(CN2CCCC[C@H]2c2ccccc2F)n[nH]1 ZINC001203075392 1131958325 /nfs/dbraw/zinc/95/83/25/1131958325.db2.gz HKWNJQJMCPZTJI-INIZCTEOSA-N 0 1 273.355 3.584 20 0 CHADMN CC(=O)[C@H](N[C@H]1CCc2c(F)cccc2C1)c1ccccc1 ZINC001171402728 1131968603 /nfs/dbraw/zinc/96/86/03/1131968603.db2.gz VEBWYOKZRPRXOU-LPHOPBHVSA-N 0 1 297.373 3.603 20 0 CHADMN Cc1cc(CN2CCC(c3ccccc3Cl)CC2)n[nH]1 ZINC001203082480 1131973899 /nfs/dbraw/zinc/97/38/99/1131973899.db2.gz SUBMIYJNUFMPAM-UHFFFAOYSA-N 0 1 289.810 3.751 20 0 CHADMN Cc1cc(OC(F)(F)F)ccc1CN1CCC[C@@H]1CF ZINC001140965055 1131974873 /nfs/dbraw/zinc/97/48/73/1131974873.db2.gz FFCCVEZOUUOJIS-GFCCVEGCSA-N 0 1 291.288 3.828 20 0 CHADMN FC(F)(F)c1n[nH]cc1CN1CCC[C@H]2CCCC[C@@H]21 ZINC001141015762 1131985874 /nfs/dbraw/zinc/98/58/74/1131985874.db2.gz MVNRPJOQFSSGIA-PWSUYJOCSA-N 0 1 287.329 3.583 20 0 CHADMN FC(F)(F)c1n[nH]cc1CN1CCC[C@H]2CCCC[C@H]21 ZINC001141015763 1131986251 /nfs/dbraw/zinc/98/62/51/1131986251.db2.gz MVNRPJOQFSSGIA-ZYHUDNBSSA-N 0 1 287.329 3.583 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1cnccc1C ZINC001141036324 1131990144 /nfs/dbraw/zinc/99/01/44/1131990144.db2.gz VFTWJZYARYDZAY-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN C[C@H]1C[C@H](Oc2nnc3c[nH]ccc2-3)CC(C)(C)C1 ZINC001228989833 1131994122 /nfs/dbraw/zinc/99/41/22/1131994122.db2.gz KRCKFTPKJUVEEW-QWRGUYRKSA-N 0 1 259.353 3.552 20 0 CHADMN CCC[C@H](C)[C@@H](Oc1nnc2c[nH]ccc1-2)C(C)C ZINC001228995021 1131995164 /nfs/dbraw/zinc/99/51/64/1131995164.db2.gz KZMDRTDBZLYFSY-FZMZJTMJSA-N 0 1 261.369 3.798 20 0 CHADMN C[C@H](NCc1ccc(C2CC2)cc1)c1ccns1 ZINC000715954464 1131997986 /nfs/dbraw/zinc/99/79/86/1131997986.db2.gz NMJMHGMPGBIRPA-NSHDSACASA-N 0 1 258.390 3.871 20 0 CHADMN COc1ccc([C@@H](N[C@@H](C)c2ccns2)C2CC2)cc1 ZINC000716023811 1132001291 /nfs/dbraw/zinc/00/12/91/1132001291.db2.gz ZPYRMCPHBFZOHM-ZBEGNZNMSA-N 0 1 288.416 3.954 20 0 CHADMN COc1ccc2nc(Cl)c(CN3CC[C@@H](C)C3)cc2c1 ZINC001141062924 1132001469 /nfs/dbraw/zinc/00/14/69/1132001469.db2.gz YCZSKZKGWPIYJV-LLVKDONJSA-N 0 1 290.794 3.739 20 0 CHADMN COc1ccc([C@@H](N[C@H](C)c2ccns2)C2CC2)cc1 ZINC000716023803 1132001786 /nfs/dbraw/zinc/00/17/86/1132001786.db2.gz ZPYRMCPHBFZOHM-BZNIZROVSA-N 0 1 288.416 3.954 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2ccns2)c1 ZINC000716046242 1132003291 /nfs/dbraw/zinc/00/32/91/1132003291.db2.gz FZOFBRFPLJGIER-GHMZBOCLSA-N 0 1 289.404 3.513 20 0 CHADMN CCCc1ccc(NC(=O)c2cccc3cn[nH]c32)cc1 ZINC000037151171 1132003393 /nfs/dbraw/zinc/00/33/93/1132003393.db2.gz PPQSJYHGTTYBSC-UHFFFAOYSA-N 0 1 279.343 3.768 20 0 CHADMN CCCCc1nc(CN2CCC(c3cccnc3)CC2)c[nH]1 ZINC001141071150 1132003444 /nfs/dbraw/zinc/00/34/44/1132003444.db2.gz DEAIBZLSDIEWPT-UHFFFAOYSA-N 0 1 298.434 3.527 20 0 CHADMN CCCCc1nc(CN2CCC(CCC)CC2)c[nH]1 ZINC001141069957 1132004018 /nfs/dbraw/zinc/00/40/18/1132004018.db2.gz JMNABLGIIHJFSM-UHFFFAOYSA-N 0 1 263.429 3.764 20 0 CHADMN C[C@H](N[C@H]1CSCc2ccccc21)c1ccns1 ZINC000716014267 1132008740 /nfs/dbraw/zinc/00/87/40/1132008740.db2.gz JPNREDZXEYFURQ-GWCFXTLKSA-N 0 1 276.430 3.782 20 0 CHADMN CC[C@@H](CSC)N(C)Cn1cc(-c2ccccc2)cn1 ZINC000773253518 1132014019 /nfs/dbraw/zinc/01/40/19/1132014019.db2.gz BQBDEPDUCBXRSA-INIZCTEOSA-N 0 1 289.448 3.581 20 0 CHADMN Cc1[nH]nc(CNCc2c(Cl)cccc2Cl)c1C ZINC000716476520 1132026604 /nfs/dbraw/zinc/02/66/04/1132026604.db2.gz HTWDVSIMJHUXOC-UHFFFAOYSA-N 0 1 284.190 3.623 20 0 CHADMN COc1ccc2nccc(CN3CCCCC34CC4)c2c1 ZINC001141151036 1132029580 /nfs/dbraw/zinc/02/95/80/1132029580.db2.gz BTZDZAXGLBSKLF-UHFFFAOYSA-N 0 1 282.387 3.762 20 0 CHADMN FC(F)(F)c1ccc([C@H]2CCCN2Cc2cn[nH]c2)cc1 ZINC001203099882 1132034249 /nfs/dbraw/zinc/03/42/49/1132034249.db2.gz XNIWTUHRPWRMPQ-CQSZACIVSA-N 0 1 295.308 3.766 20 0 CHADMN CCC(=O)Nc1cc(NCC2(c3ccccc3)CC2)ccn1 ZINC001171464726 1132036491 /nfs/dbraw/zinc/03/64/91/1132036491.db2.gz CVXIACGMEPMDNG-UHFFFAOYSA-N 0 1 295.386 3.574 20 0 CHADMN CN(Cc1ccsc1)Cc1ccc(-c2ncccn2)cc1 ZINC001141187123 1132038220 /nfs/dbraw/zinc/03/82/20/1132038220.db2.gz AZOWCGVVEILEKB-UHFFFAOYSA-N 0 1 295.411 3.837 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@@](CF)(C(F)(F)F)C2)c(F)c1 ZINC001141191828 1132039348 /nfs/dbraw/zinc/03/93/48/1132039348.db2.gz VLVSJMSVILVNMF-ZDUSSCGKSA-N 0 1 293.279 3.858 20 0 CHADMN Cc1ccc(CN2CC[C@@](CF)(C(F)(F)F)C2)c(F)c1 ZINC001141191828 1132039355 /nfs/dbraw/zinc/03/93/55/1132039355.db2.gz VLVSJMSVILVNMF-ZDUSSCGKSA-N 0 1 293.279 3.858 20 0 CHADMN Cc1ccc(CN2CC[C@@H](OCc3ccccc3)C2)c(F)c1 ZINC001141194699 1132039843 /nfs/dbraw/zinc/03/98/43/1132039843.db2.gz KBXWZKQYVZMOFM-GOSISDBHSA-N 0 1 299.389 3.925 20 0 CHADMN COc1ccc(C(F)(F)F)cc1CN1CCC(C)CC1 ZINC001141200788 1132041626 /nfs/dbraw/zinc/04/16/26/1132041626.db2.gz WZAHPLUOTHIRIM-UHFFFAOYSA-N 0 1 287.325 3.946 20 0 CHADMN COc1ccc(C(F)(F)F)cc1CN1CCC[C@H]2C[C@H]21 ZINC001141204262 1132042633 /nfs/dbraw/zinc/04/26/33/1132042633.db2.gz BFMQQAKIDVEWIT-GXFFZTMASA-N 0 1 285.309 3.698 20 0 CHADMN FC(F)(F)c1ccc(-c2ccc(CN3CCC3)cn2)cc1 ZINC001141214353 1132043700 /nfs/dbraw/zinc/04/37/00/1132043700.db2.gz FABARAHKIVTTOD-UHFFFAOYSA-N 0 1 292.304 3.973 20 0 CHADMN Clc1cc2c(s1)CCN(CC1CCCC1)C2 ZINC001171532619 1132044661 /nfs/dbraw/zinc/04/46/61/1132044661.db2.gz GFYMVMRVMCJBGO-UHFFFAOYSA-N 0 1 255.814 3.950 20 0 CHADMN FC[C@@H]1CCCN(Cc2csc(-c3ccccc3)n2)C1 ZINC001141214265 1132044621 /nfs/dbraw/zinc/04/46/21/1132044621.db2.gz NJPDAWGDVMVMKP-ZDUSSCGKSA-N 0 1 290.407 3.992 20 0 CHADMN CCc1ccc(C)nc1NCc1ccc2c(c1)C[C@H](C)O2 ZINC001203105370 1132045334 /nfs/dbraw/zinc/04/53/34/1132045334.db2.gz OPKAWYYULYWXLL-ZDUSSCGKSA-N 0 1 282.387 3.888 20 0 CHADMN CC(=O)CC(C)(C)Nc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001171502629 1132046206 /nfs/dbraw/zinc/04/62/06/1132046206.db2.gz MVDVOCSHHJHYET-UHFFFAOYSA-N 0 1 281.359 3.886 20 0 CHADMN CCc1ccccc1CN1CC[C@](C)(F)[C@@H](F)C1 ZINC001141224108 1132047527 /nfs/dbraw/zinc/04/75/27/1132047527.db2.gz DTVUHZBBTLUPFX-GJZGRUSLSA-N 0 1 253.336 3.521 20 0 CHADMN Cc1cc(Cl)ccc1C[N@H+](C)Cc1cccnc1C ZINC001141232581 1132054313 /nfs/dbraw/zinc/05/43/13/1132054313.db2.gz JFUOPWCYPRVZTI-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1cc(Cl)ccc1CN(C)Cc1cccnc1C ZINC001141232581 1132054322 /nfs/dbraw/zinc/05/43/22/1132054322.db2.gz JFUOPWCYPRVZTI-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1cc(C[N@@H+](C)Cc2cnc3ccccn23)ccc1Cl ZINC001141232837 1132055634 /nfs/dbraw/zinc/05/56/34/1132055634.db2.gz LJTSNHCDBOUDIY-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN Cc1cc(CN(C)Cc2cnc3ccccn23)ccc1Cl ZINC001141232837 1132055640 /nfs/dbraw/zinc/05/56/40/1132055640.db2.gz LJTSNHCDBOUDIY-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN Cc1ccc(CC[C@@H](C)N2CCOCC23CCC3)cc1 ZINC001171678065 1132077051 /nfs/dbraw/zinc/07/70/51/1132077051.db2.gz BGMOLKMTGOFBQP-MRXNPFEDSA-N 0 1 273.420 3.571 20 0 CHADMN COc1cc(Cl)ncc1CN1CCC[C@@H](C)[C@@H](C)C1 ZINC001141333405 1132089145 /nfs/dbraw/zinc/08/91/45/1132089145.db2.gz AWOYMIXBZXDHQJ-NEPJUHHUSA-N 0 1 282.815 3.612 20 0 CHADMN CCCCC[C@@H](C)CC(=O)NCc1ccc2cncn2c1 ZINC000837859410 1132105276 /nfs/dbraw/zinc/10/52/76/1132105276.db2.gz OSSBWJSENAZVEI-CQSZACIVSA-N 0 1 287.407 3.557 20 0 CHADMN Cc1ncc(Br)cc1CN1CCC[C@@H](C)[C@H]1C ZINC001248781010 1132106026 /nfs/dbraw/zinc/10/60/26/1132106026.db2.gz RULVDRDKQDUPLG-ZYHUDNBSSA-N 0 1 297.240 3.773 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(CC(C)C)cc2)cn1 ZINC001171911254 1132108503 /nfs/dbraw/zinc/10/85/03/1132108503.db2.gz KJROCGVRPBQQDJ-UHFFFAOYSA-N 0 1 298.430 3.921 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(Br)cnc2C)C1 ZINC001248781679 1132109484 /nfs/dbraw/zinc/10/94/84/1132109484.db2.gz VHQOMLTVXYQPQZ-GFCCVEGCSA-N 0 1 297.240 3.775 20 0 CHADMN COc1ccc([C@@H](C)Oc2nc3ccc(OC)cc3[nH]2)cc1 ZINC001229731099 1132112055 /nfs/dbraw/zinc/11/20/55/1132112055.db2.gz VVOKDXWNUAAROF-LLVKDONJSA-N 0 1 298.342 3.720 20 0 CHADMN COc1ccc2nc(O[C@@H](C)c3cccc(OC)c3)[nH]c2c1 ZINC001229730657 1132112197 /nfs/dbraw/zinc/11/21/97/1132112197.db2.gz SXHIVZDOPHYBIB-NSHDSACASA-N 0 1 298.342 3.720 20 0 CHADMN COc1ccc(CN2CC[C@@H](C)C[C@@H]2C)c(OC)c1Cl ZINC001248799446 1132115573 /nfs/dbraw/zinc/11/55/73/1132115573.db2.gz DLFAPEQTTSPSIL-NEPJUHHUSA-N 0 1 297.826 3.978 20 0 CHADMN CC1(C)C[C@@H](NC2=CC=C[CH]2)CC[N@H+]1Cc1ccccc1 ZINC001171975054 1132117480 /nfs/dbraw/zinc/11/74/80/1132117480.db2.gz KJYZSWDAOIFLIM-SFHVURJKSA-N 0 1 281.423 3.677 20 0 CHADMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)N(C)Cc1ccon1 ZINC001171975339 1132117663 /nfs/dbraw/zinc/11/76/63/1132117663.db2.gz XTGNMHBZXOOSPD-NSHDSACASA-N 0 1 298.308 3.756 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)/C(F)=C(/C)C2CC2)c1 ZINC001141416417 1132118854 /nfs/dbraw/zinc/11/88/54/1132118854.db2.gz FOKDHAMERLVROC-OQLLNIDSSA-N 0 1 291.322 3.577 20 0 CHADMN CC(C)(C)N1CC(Oc2cc(O)ccc2-c2ccccc2)C1 ZINC001229828696 1132121544 /nfs/dbraw/zinc/12/15/44/1132121544.db2.gz CYRBBBTVNJACMB-UHFFFAOYSA-N 0 1 297.398 3.921 20 0 CHADMN CCCCC[C@@H](CC)Oc1nc[nH]c(=O)c1Cl ZINC001230015360 1132145555 /nfs/dbraw/zinc/14/55/55/1132145555.db2.gz XJCUWQLRRRWBHT-SECBINFHSA-N 0 1 258.749 3.573 20 0 CHADMN C[C@]1(F)CCCN([C@@H]2CSc3ccccc3C2)C1 ZINC001172197400 1132147530 /nfs/dbraw/zinc/14/75/30/1132147530.db2.gz VIMZTXGWTJPLOH-ZFWWWQNUSA-N 0 1 265.397 3.527 20 0 CHADMN c1ccc2c(CN[C@H]3CSc4ccccc4C3)noc2c1 ZINC001172200548 1132148455 /nfs/dbraw/zinc/14/84/55/1132148455.db2.gz KPCOUENELZCVKI-CYBMUJFWSA-N 0 1 296.395 3.634 20 0 CHADMN Cc1cnc(F)c([C@H](C)Oc2cc3cn[nH]c3cc2C)c1 ZINC001230225596 1132163270 /nfs/dbraw/zinc/16/32/70/1132163270.db2.gz VUPMIDGLSIRAGT-NSHDSACASA-N 0 1 285.322 3.854 20 0 CHADMN C[C@@H]1CC[C@H](N2CC[C@H]2N(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001172379878 1132171546 /nfs/dbraw/zinc/17/15/46/1132171546.db2.gz PVXGMEUPBYWWHO-KBXIAJHMSA-N 0 1 296.455 3.710 20 0 CHADMN FC(F)Sc1ccc(CN2CC3(C2)CCCOC3)cc1 ZINC000839137719 1132183532 /nfs/dbraw/zinc/18/35/32/1132183532.db2.gz IOOHNIKUYTZTEU-UHFFFAOYSA-N 0 1 299.386 3.614 20 0 CHADMN CC[C@@H](C)OCC[C@H](C)N1CCc2cc(F)c(F)cc2C1 ZINC001172359160 1132187105 /nfs/dbraw/zinc/18/71/05/1132187105.db2.gz HWVJOTXHIWEVBK-QWHCGFSZSA-N 0 1 297.389 3.917 20 0 CHADMN F[C@@H]1CCCN(Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001141583645 1132191295 /nfs/dbraw/zinc/19/12/95/1132191295.db2.gz NDOINOUZDRJFPF-GFCCVEGCSA-N 0 1 266.747 3.755 20 0 CHADMN CC(C)[C@H]1COCCN1Cc1c[nH]c2cc(Cl)ccc12 ZINC001141585999 1132192028 /nfs/dbraw/zinc/19/20/28/1132192028.db2.gz NGDMYMPUUIESSG-MRXNPFEDSA-N 0 1 292.810 3.678 20 0 CHADMN C[C@@H]1CN(Cc2cc3cccnc3cc2F)CCC1(F)F ZINC001141623617 1132214314 /nfs/dbraw/zinc/21/43/14/1132214314.db2.gz NFNDJVGSCPKNCE-LLVKDONJSA-N 0 1 294.320 3.851 20 0 CHADMN Fc1cc2ncccc2cc1CN1CC[C@H](C(F)(F)F)C1 ZINC001141629387 1132217234 /nfs/dbraw/zinc/21/72/34/1132217234.db2.gz ZLKFLPWNRWVDGK-LBPRGKRZSA-N 0 1 298.283 3.758 20 0 CHADMN CCOC(=O)C1(N[C@H](CC)CC(C)C)CCCCC1 ZINC001172393970 1132217569 /nfs/dbraw/zinc/21/75/69/1132217569.db2.gz MKSTZJAHNQFXSP-CQSZACIVSA-N 0 1 269.429 3.667 20 0 CHADMN C[C@H]1CN(Cc2ccc3cc(F)ccc3n2)CCC1(F)F ZINC001141640423 1132220179 /nfs/dbraw/zinc/22/01/79/1132220179.db2.gz YZDFUMNCJRHFSI-NSHDSACASA-N 0 1 294.320 3.851 20 0 CHADMN C[C@@H]1CN(Cc2ccc3cc(F)ccc3n2)CCC1(F)F ZINC001141640422 1132220425 /nfs/dbraw/zinc/22/04/25/1132220425.db2.gz YZDFUMNCJRHFSI-LLVKDONJSA-N 0 1 294.320 3.851 20 0 CHADMN Fc1ccc2nc(C[N@H+]3CC[C@@]4(CC4(F)F)C3)ccc2c1 ZINC001141649147 1132224189 /nfs/dbraw/zinc/22/41/89/1132224189.db2.gz QEVOGJWERYBULM-OAHLLOKOSA-N 0 1 292.304 3.605 20 0 CHADMN CC(C)COCC[C@@H](C)N1CCC[C@H]1c1nccs1 ZINC001172475492 1132226859 /nfs/dbraw/zinc/22/68/59/1132226859.db2.gz KCPAJRRGXYQXMB-KGLIPLIRSA-N 0 1 282.453 3.731 20 0 CHADMN Fc1cc(O[C@H]2CCC=CCCC2)cc2[nH]ncc21 ZINC001230930727 1132230816 /nfs/dbraw/zinc/23/08/16/1132230816.db2.gz HNAVXBCBUNCILX-NSHDSACASA-N 0 1 260.312 3.970 20 0 CHADMN C[C@H](Oc1cc2[nH]ncc2c(F)c1)c1ccccc1F ZINC001230931573 1132231003 /nfs/dbraw/zinc/23/10/03/1132231003.db2.gz PBPPJXRPAKCVAE-VIFPVBQESA-N 0 1 274.270 3.981 20 0 CHADMN CC(=O)[C@@H]1CCCN1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001141741182 1132244605 /nfs/dbraw/zinc/24/46/05/1132244605.db2.gz CQQADBRZCLMXRN-FQEVSTJZSA-N 0 1 291.394 3.811 20 0 CHADMN CCCCN(C)Cc1cc(Br)cc(F)c1F ZINC001141795290 1132247555 /nfs/dbraw/zinc/24/75/55/1132247555.db2.gz CDLVULICIWZKRN-UHFFFAOYSA-N 0 1 292.167 3.959 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840473853 1132262186 /nfs/dbraw/zinc/26/21/86/1132262186.db2.gz BHXVHZMBLWKGKW-ABAIWWIYSA-N 0 1 281.400 3.714 20 0 CHADMN O=C(C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)c1ccc([O-])cc1 ZINC001172556359 1132266849 /nfs/dbraw/zinc/26/68/49/1132266849.db2.gz LNMKWJHHRAJLDV-IAGOWNOFSA-N 0 1 295.382 3.501 20 0 CHADMN C[C@H](Oc1ccccc1C(=O)c1ccccc1O)C1CC1 ZINC001231210857 1132272125 /nfs/dbraw/zinc/27/21/25/1132272125.db2.gz ZQJBAKVWWDUJED-LBPRGKRZSA-N 0 1 282.339 3.801 20 0 CHADMN CCCCCC(=O)c1ccc(O[C@H]2CCCN(C)C2)cc1 ZINC001231257784 1132275369 /nfs/dbraw/zinc/27/53/69/1132275369.db2.gz WWGUKUXGDCUVCD-KRWDZBQOSA-N 0 1 289.419 3.923 20 0 CHADMN C[C@H](c1ccccn1)N1CC[C@@H](Oc2ccc(N=O)cc2)C1 ZINC001231289354 1132278953 /nfs/dbraw/zinc/27/89/53/1132278953.db2.gz OSWQFYUSWGMMKM-CZUORRHYSA-N 0 1 297.358 3.694 20 0 CHADMN Cc1c(F)ccc(CN2CCC[C@@H](F)CC2)c1F ZINC001231477058 1132297084 /nfs/dbraw/zinc/29/70/84/1132297084.db2.gz YVBMYJHJDUMRCB-GFCCVEGCSA-N 0 1 257.299 3.597 20 0 CHADMN COCCC1CCN(Cc2ccc(F)c(C)c2F)CC1 ZINC001231478112 1132297617 /nfs/dbraw/zinc/29/76/17/1132297617.db2.gz WVVCTWPNTFALKF-UHFFFAOYSA-N 0 1 283.362 3.522 20 0 CHADMN Cc1cc(F)c(CNc2nccn2C2CC2)c(Cl)c1 ZINC000840886297 1132302024 /nfs/dbraw/zinc/30/20/24/1132302024.db2.gz AWQBZOPMDWKEIK-UHFFFAOYSA-N 0 1 279.746 3.931 20 0 CHADMN COC(=O)CN(Cc1cc(C)c(C)cc1C)C1CCCC1 ZINC001231485435 1132302147 /nfs/dbraw/zinc/30/21/47/1132302147.db2.gz LJVYWGFCRJNOHF-UHFFFAOYSA-N 0 1 289.419 3.529 20 0 CHADMN Cc1c(C)c(C)c(CN2CCc3c(cnn3C)C2)c(C)c1C ZINC001231494012 1132305627 /nfs/dbraw/zinc/30/56/27/1132305627.db2.gz GMZNFVXZLVCRBW-UHFFFAOYSA-N 0 1 297.446 3.521 20 0 CHADMN OC[C@H]1C[C@H](F)CN(Cc2cccc(-c3ccccc3)c2)C1 ZINC001231508760 1132308218 /nfs/dbraw/zinc/30/82/18/1132308218.db2.gz OTBYMUHUKXDSJK-LPHOPBHVSA-N 0 1 299.389 3.506 20 0 CHADMN c1ccc(-c2cccc(CN3CCOC[C@@H]3C3CC3)c2)cc1 ZINC001231511935 1132311013 /nfs/dbraw/zinc/31/10/13/1132311013.db2.gz ZNAZQGHZODISNN-HXUWFJFHSA-N 0 1 293.410 3.964 20 0 CHADMN Cc1occc1CN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000840943685 1132311700 /nfs/dbraw/zinc/31/17/00/1132311700.db2.gz YMQCEAVILKCTRY-NWDGAFQWSA-N 0 1 274.191 3.604 20 0 CHADMN C[C@@H]1CN(Cc2ccc(O)c(C(F)(F)F)c2)C2(CC2)C1 ZINC001231527150 1132313560 /nfs/dbraw/zinc/31/35/60/1132313560.db2.gz YLMRSBVUFDBSIN-JTQLQIEISA-N 0 1 285.309 3.785 20 0 CHADMN CC(C)Oc1ccc(CN(C)Cc2ccccc2)cn1 ZINC001231535085 1132315623 /nfs/dbraw/zinc/31/56/23/1132315623.db2.gz REFWNCDKBZBABW-UHFFFAOYSA-N 0 1 270.376 3.501 20 0 CHADMN CCCCN(Cc1ccccc1)Cc1ccc(Cl)nn1 ZINC001142070807 1132316433 /nfs/dbraw/zinc/31/64/33/1132316433.db2.gz FPYVNTYDCOQXPY-UHFFFAOYSA-N 0 1 289.810 3.932 20 0 CHADMN Cc1ccc(-c2ccc(CN3CCOCC3(C)C)cc2)o1 ZINC001231596864 1132321281 /nfs/dbraw/zinc/32/12/81/1132321281.db2.gz CJZRVNCVYWNBCV-UHFFFAOYSA-N 0 1 285.387 3.866 20 0 CHADMN COc1cc(F)ccc1CN(C)Cc1ccccc1C ZINC001231601279 1132322683 /nfs/dbraw/zinc/32/26/83/1132322683.db2.gz CUNCBLGHWUTPHU-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1OC ZINC001231606342 1132327324 /nfs/dbraw/zinc/32/73/24/1132327324.db2.gz OJTGJHOLCKOCIO-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1ccc(F)cc1OC ZINC001231606342 1132327330 /nfs/dbraw/zinc/32/73/30/1132327330.db2.gz OJTGJHOLCKOCIO-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)NCc1nccs1 ZINC001172836707 1132327909 /nfs/dbraw/zinc/32/79/09/1132327909.db2.gz HIOJPVZEQLAAJL-SECBINFHSA-N 0 1 284.787 3.656 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@](C)(F)CC2)c(Cl)n1 ZINC001142122276 1132329225 /nfs/dbraw/zinc/32/92/25/1132329225.db2.gz TVHGAJHFQGVSIL-AWEZNQCLSA-N 0 1 270.779 3.758 20 0 CHADMN Cc1ccc(CN2CCC[C@](C)(F)CC2)c(Cl)n1 ZINC001142122276 1132329228 /nfs/dbraw/zinc/32/92/28/1132329228.db2.gz TVHGAJHFQGVSIL-AWEZNQCLSA-N 0 1 270.779 3.758 20 0 CHADMN Cc1ccc(CN(C)C[C@@H]2CC2(C)C)c(Cl)n1 ZINC001142139990 1132331098 /nfs/dbraw/zinc/33/10/98/1132331098.db2.gz DBKBEICYKFKRAD-LBPRGKRZSA-N 0 1 252.789 3.521 20 0 CHADMN CCc1ccc(CN2CCC(F)(F)C(C)(C)C2)nc1 ZINC001231638504 1132331232 /nfs/dbraw/zinc/33/12/32/1132331232.db2.gz QADWHYZTVNVCNA-UHFFFAOYSA-N 0 1 268.351 3.511 20 0 CHADMN c1oc(-c2ccccc2)nc1CN1CCCCC12CC2 ZINC001231631907 1132332198 /nfs/dbraw/zinc/33/21/98/1132332198.db2.gz MJBPYBVRZLHYOU-UHFFFAOYSA-N 0 1 268.360 3.860 20 0 CHADMN CN(Cc1coc(-c2ccccc2)n1)C[C@H]1CC1(C)C ZINC001231632043 1132332559 /nfs/dbraw/zinc/33/25/59/1132332559.db2.gz UOZLKCYAPPPGNU-CQSZACIVSA-N 0 1 270.376 3.820 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)N1CC2(CCC2)C1 ZINC001172847760 1132336758 /nfs/dbraw/zinc/33/67/58/1132336758.db2.gz PEPCUAYDBSDACM-LLVKDONJSA-N 0 1 267.775 3.896 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc(C)c(C)c2)cn1 ZINC001231655339 1132337097 /nfs/dbraw/zinc/33/70/97/1132337097.db2.gz CQQQUUYLMGMEBZ-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1ccc(O)c(Cl)c1 ZINC001142215323 1132343310 /nfs/dbraw/zinc/34/33/10/1132343310.db2.gz SEWJQPSYMQYFKU-STQMWFEESA-N 0 1 293.794 3.602 20 0 CHADMN CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc[nH]c2cn1 ZINC001231673629 1132344262 /nfs/dbraw/zinc/34/42/62/1132344262.db2.gz RVQHNSZGUFAPTO-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN C[N@@H+](Cc1ccccc1-c1ccccc1C(=O)[O-])C1CC1 ZINC001231675989 1132344481 /nfs/dbraw/zinc/34/44/81/1132344481.db2.gz WLZSQNPZFVZNNH-UHFFFAOYSA-N 0 1 281.355 3.646 20 0 CHADMN CCN(Cc1cccs1)Cc1cc2cc[nH]c2cn1 ZINC001231669358 1132345309 /nfs/dbraw/zinc/34/53/09/1132345309.db2.gz HOTSVTUCWATJIO-UHFFFAOYSA-N 0 1 271.389 3.647 20 0 CHADMN COc1cc(Cl)c(CN2CCC(C)(C)C2)c(OC)c1 ZINC001231696009 1132345678 /nfs/dbraw/zinc/34/56/78/1132345678.db2.gz AOJDHBHNYGSZEG-UHFFFAOYSA-N 0 1 283.799 3.589 20 0 CHADMN CC(C)C1CC[NH+](Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231734606 1132351175 /nfs/dbraw/zinc/35/11/75/1132351175.db2.gz BIPGWSVQKWMGIM-UHFFFAOYSA-N 0 1 267.800 3.914 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(Cl)c([O-])c2)C1 ZINC001231734718 1132351721 /nfs/dbraw/zinc/35/17/21/1132351721.db2.gz DRJQDRWYLJJEQW-PHIMTYICSA-N 0 1 253.773 3.524 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(Cl)c(O)c2)C1 ZINC001231734718 1132351713 /nfs/dbraw/zinc/35/17/13/1132351713.db2.gz DRJQDRWYLJJEQW-PHIMTYICSA-N 0 1 253.773 3.524 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(Cl)c([O-])c2)C1 ZINC001231734718 1132351729 /nfs/dbraw/zinc/35/17/29/1132351729.db2.gz DRJQDRWYLJJEQW-PHIMTYICSA-N 0 1 253.773 3.524 20 0 CHADMN Cc1ccc(CN(C)Cc2[nH]cnc2C(C)(C)C)cc1C ZINC001142238576 1132352580 /nfs/dbraw/zinc/35/25/80/1132352580.db2.gz SYGRROMHRVWXKH-UHFFFAOYSA-N 0 1 285.435 3.956 20 0 CHADMN CC(C)Oc1ncccc1CN1CCCC2(CCC2)C1 ZINC001231764396 1132357288 /nfs/dbraw/zinc/35/72/88/1132357288.db2.gz SLMVSUGWCRZTBG-UHFFFAOYSA-N 0 1 274.408 3.635 20 0 CHADMN CCCCc1ccc(CN2CCc3ncccc3C2)cc1 ZINC001231781740 1132358786 /nfs/dbraw/zinc/35/87/86/1132358786.db2.gz LGNUUIJFKAMNNA-UHFFFAOYSA-N 0 1 280.415 3.983 20 0 CHADMN c1ccc([C@@H]2CC[N@@H+]2Cc2ccc3c(c2)OCCCO3)cc1 ZINC001142271306 1132359284 /nfs/dbraw/zinc/35/92/84/1132359284.db2.gz ICXOXIVSNIQCQP-KRWDZBQOSA-N 0 1 295.382 3.795 20 0 CHADMN c1ccc([C@@H]2CCN2Cc2ccc3c(c2)OCCCO3)cc1 ZINC001142271306 1132359290 /nfs/dbraw/zinc/35/92/90/1132359290.db2.gz ICXOXIVSNIQCQP-KRWDZBQOSA-N 0 1 295.382 3.795 20 0 CHADMN C[C@@H](CSc1ccc(Cl)cc1)N1C[C@@H](C)OC[C@H]1C ZINC001172883728 1132359368 /nfs/dbraw/zinc/35/93/68/1132359368.db2.gz WHLGOWQELJTMDV-FRRDWIJNSA-N 0 1 299.867 3.930 20 0 CHADMN CC(C)Cc1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1 ZINC001231786427 1132363647 /nfs/dbraw/zinc/36/36/47/1132363647.db2.gz BIPDOUBFDDTWKB-YESZJQIVSA-N 0 1 261.384 3.675 20 0 CHADMN CCCC=CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000841443025 1132365365 /nfs/dbraw/zinc/36/53/65/1132365365.db2.gz IXVXYLBYGVRZPN-VOTSOKGWSA-N 0 1 273.336 3.581 20 0 CHADMN Cc1nc(-c2ccccc2)ncc1CN1C[C@@H](C)C[C@H]1CF ZINC001231796188 1132365682 /nfs/dbraw/zinc/36/56/82/1132365682.db2.gz MSHZLAHRQCSJEZ-GUYCJALGSA-N 0 1 299.393 3.632 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1ccc(-c2ccccc2)o1 ZINC001231810064 1132367410 /nfs/dbraw/zinc/36/74/10/1132367410.db2.gz JRFDEYVTSVPMPC-OCCSQVGLSA-N 0 1 259.324 3.879 20 0 CHADMN CC(=O)CN(C)Cc1ccccc1-c1ccccc1C ZINC001231808940 1132368873 /nfs/dbraw/zinc/36/88/73/1132368873.db2.gz AFIALRNFKGLLFE-UHFFFAOYSA-N 0 1 267.372 3.683 20 0 CHADMN COC1(C)CN(Cc2ccccc2-c2ccccc2C)C1 ZINC001231812484 1132370395 /nfs/dbraw/zinc/37/03/95/1132370395.db2.gz OCHQDXSGFJCCCY-UHFFFAOYSA-N 0 1 281.399 3.883 20 0 CHADMN Cc1ccccc1-c1ccccc1CN1C[C@H](F)C[C@H]1CO ZINC001231811713 1132372486 /nfs/dbraw/zinc/37/24/86/1132372486.db2.gz CHBAZDHKRLAOAT-SJORKVTESA-N 0 1 299.389 3.567 20 0 CHADMN CCC(CC)N(CC)Cc1cnc(SC)nc1Cl ZINC001142432328 1132388349 /nfs/dbraw/zinc/38/83/49/1132388349.db2.gz ZPYYKHQSJREHKW-UHFFFAOYSA-N 0 1 287.860 3.862 20 0 CHADMN C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](F)C1 ZINC001173079109 1132389838 /nfs/dbraw/zinc/38/98/38/1132389838.db2.gz PXUJSMIOLHWXJB-ZYHUDNBSSA-N 0 1 291.288 3.560 20 0 CHADMN C[C@H](N[C@H]1COCc2ccccc21)c1ccc(Cl)nc1 ZINC000841760024 1132394724 /nfs/dbraw/zinc/39/47/24/1132394724.db2.gz JHIUSXWTUQUVJS-NHYWBVRUSA-N 0 1 288.778 3.657 20 0 CHADMN C[C@H](N[C@H]1COCc2ccccc21)c1ccc2c(c1)CCO2 ZINC000841762632 1132396069 /nfs/dbraw/zinc/39/60/69/1132396069.db2.gz ZBRGHGYCNQXCFM-UGSOOPFHSA-N 0 1 295.382 3.544 20 0 CHADMN CCc1ccc(CN(C)Cc2cnc(F)c(C)c2)cc1 ZINC001231926512 1132401478 /nfs/dbraw/zinc/40/14/78/1132401478.db2.gz YOOCBRUDWJLRBL-UHFFFAOYSA-N 0 1 272.367 3.724 20 0 CHADMN CCN(Cc1ccc(C)c(C)c1)Cc1cc(OC)ccn1 ZINC001231969532 1132404262 /nfs/dbraw/zinc/40/42/62/1132404262.db2.gz JPTKNHOEUPTNEX-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN Clc1nccc2ccc(C[N@H+]3CCC4(CC4)C3)cc21 ZINC001231976865 1132406043 /nfs/dbraw/zinc/40/60/43/1132406043.db2.gz WQMMCDYZNHLZMS-UHFFFAOYSA-N 0 1 272.779 3.874 20 0 CHADMN Cc1nc2cc(Nc3cnc(C)cc3C)ccc2[nH]1 ZINC001213071588 1132406635 /nfs/dbraw/zinc/40/66/35/1132406635.db2.gz ZBPZZZZVHZYCDW-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN Cc1cc(C[N@H+]2CCC(F)(F)C(C)(C)C2)cc(C)n1 ZINC001231997397 1132407009 /nfs/dbraw/zinc/40/70/09/1132407009.db2.gz NUXYVXQNLXSURP-UHFFFAOYSA-N 0 1 268.351 3.566 20 0 CHADMN CCOC(=O)c1ccc(CN(C)Cc2ccsc2)cc1 ZINC001142599816 1132413293 /nfs/dbraw/zinc/41/32/93/1132413293.db2.gz VOSCORUSHPGZAN-UHFFFAOYSA-N 0 1 289.400 3.557 20 0 CHADMN Cc1cc(Br)cnc1CN1CCCCCCC1 ZINC001232049062 1132414772 /nfs/dbraw/zinc/41/47/72/1132414772.db2.gz SABUTGXTPJLBBQ-UHFFFAOYSA-N 0 1 297.240 3.919 20 0 CHADMN C[N@@H+](Cc1cncc(O)c1)Cc1cccc2ccccc21 ZINC001232043556 1132414837 /nfs/dbraw/zinc/41/48/37/1132414837.db2.gz SPAIVSOMPSWING-UHFFFAOYSA-N 0 1 278.355 3.572 20 0 CHADMN CN(Cc1cncc(O)c1)Cc1cccc2ccccc21 ZINC001232043556 1132414840 /nfs/dbraw/zinc/41/48/40/1132414840.db2.gz SPAIVSOMPSWING-UHFFFAOYSA-N 0 1 278.355 3.572 20 0 CHADMN Cc1cc(Br)cnc1CN1C[C@@H](C)C[C@H](C)C1 ZINC001232049974 1132415090 /nfs/dbraw/zinc/41/50/90/1132415090.db2.gz LIMCBTSPVKVGBJ-QWRGUYRKSA-N 0 1 297.240 3.630 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1ncc(Br)cc1C ZINC001232049649 1132415319 /nfs/dbraw/zinc/41/53/19/1132415319.db2.gz AJYWMKOOIHLWPT-ZDUSSCGKSA-N 0 1 297.240 3.917 20 0 CHADMN CC[C@H]1CCCCN1Cc1ncc(Br)cc1C ZINC001232049649 1132415325 /nfs/dbraw/zinc/41/53/25/1132415325.db2.gz AJYWMKOOIHLWPT-ZDUSSCGKSA-N 0 1 297.240 3.917 20 0 CHADMN CC/C=C(\C)C(=O)N1CCC(c2n[nH]c3ccccc32)CC1 ZINC001142670046 1132421355 /nfs/dbraw/zinc/42/13/55/1132421355.db2.gz OHHYOMHUUXJEKQ-AWNIVKPZSA-N 0 1 297.402 3.625 20 0 CHADMN CCCC[C@H](CC(C)C)N[C@@H]1NC(=O)c2ccccc21 ZINC001173253540 1132422894 /nfs/dbraw/zinc/42/28/94/1132422894.db2.gz PWVZMUJPNDZARG-CZUORRHYSA-N 0 1 274.408 3.623 20 0 CHADMN CCCC[C@H](CC(C)C)N1CC(F)(F)CC[C@@H]1CO ZINC001173257654 1132425276 /nfs/dbraw/zinc/42/52/76/1132425276.db2.gz KOZPXICGFAIESX-ZIAGYGMSSA-N 0 1 277.399 3.683 20 0 CHADMN CCCC[C@@H](CC(C)C)NCc1nccc(OC(C)C)n1 ZINC001173258426 1132425883 /nfs/dbraw/zinc/42/58/83/1132425883.db2.gz UHROFYPEXXJDDY-HNNXBMFYSA-N 0 1 293.455 3.958 20 0 CHADMN COc1ccnc(Cl)c1CN1CCC[C@H]2CCC[C@@H]21 ZINC001232153962 1132427236 /nfs/dbraw/zinc/42/72/36/1132427236.db2.gz DJPGOEROWWATOI-YPMHNXCESA-N 0 1 280.799 3.508 20 0 CHADMN Clc1cccc2c1CN(Cc1cccc3nc[nH]c31)C2 ZINC001142692391 1132428984 /nfs/dbraw/zinc/42/89/84/1132428984.db2.gz BGTFLDZRLRCZRT-UHFFFAOYSA-N 0 1 283.762 3.732 20 0 CHADMN Cc1cnc(CN2CCC[C@H](C)CC2)c(Br)c1 ZINC001232172319 1132431988 /nfs/dbraw/zinc/43/19/88/1132431988.db2.gz FVZGOBQXFHQESB-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN Cc1scnc1CN1CCC[C@@H](c2ccccc2)C1 ZINC001232204130 1132433014 /nfs/dbraw/zinc/43/30/14/1132433014.db2.gz SEAOHKBEXHEDTP-OAHLLOKOSA-N 0 1 272.417 3.831 20 0 CHADMN CC(C)C[N@@H+](Cc1ccns1)Cc1ccccc1 ZINC001232188922 1132433198 /nfs/dbraw/zinc/43/31/98/1132433198.db2.gz QBTPZLFBNQRNIA-UHFFFAOYSA-N 0 1 260.406 3.801 20 0 CHADMN CC(C)CN(Cc1ccns1)Cc1ccccc1 ZINC001232188922 1132433203 /nfs/dbraw/zinc/43/32/03/1132433203.db2.gz QBTPZLFBNQRNIA-UHFFFAOYSA-N 0 1 260.406 3.801 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccns2)c1 ZINC001232189764 1132434315 /nfs/dbraw/zinc/43/43/15/1132434315.db2.gz MPIZMYUJQHNPLS-HNNXBMFYSA-N 0 1 258.390 3.789 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2ccns2)c1 ZINC001232189764 1132434320 /nfs/dbraw/zinc/43/43/20/1132434320.db2.gz MPIZMYUJQHNPLS-HNNXBMFYSA-N 0 1 258.390 3.789 20 0 CHADMN Fc1cccc2c(CN3CCc4ccsc4C3)ccnc12 ZINC001232209943 1132436206 /nfs/dbraw/zinc/43/62/06/1132436206.db2.gz SWDUNWKUGBDJJB-UHFFFAOYSA-N 0 1 298.386 3.994 20 0 CHADMN CC(C)CN(Cc1cnsc1)Cc1ccccc1 ZINC001232223050 1132438261 /nfs/dbraw/zinc/43/82/61/1132438261.db2.gz CJINCIZGNGUDOX-UHFFFAOYSA-N 0 1 260.406 3.801 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2cnsc2)c1 ZINC001232225018 1132439128 /nfs/dbraw/zinc/43/91/28/1132439128.db2.gz UVWGXQZEXUEUOH-OAHLLOKOSA-N 0 1 258.390 3.789 20 0 CHADMN C[C@H]1CCCCN(Cc2ccnc(C(F)(F)F)c2)C1 ZINC001232236827 1132440264 /nfs/dbraw/zinc/44/02/64/1132440264.db2.gz JWTWIZAHMLZTOX-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN COc1ccccc1C1CCN(Cc2cnsc2)CC1 ZINC001232230670 1132440313 /nfs/dbraw/zinc/44/03/13/1132440313.db2.gz RWGXZTXBVDZVAF-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN CCCCC[C@H](C)Cc1nc(C2(N)CCCC2)no1 ZINC000842590016 1132444254 /nfs/dbraw/zinc/44/42/54/1132444254.db2.gz VCTGJPHQAPISKG-LBPRGKRZSA-N 0 1 265.401 3.557 20 0 CHADMN CCSC[C@@H](C)N(C)Cc1nc2ccccc2s1 ZINC001173301433 1132446558 /nfs/dbraw/zinc/44/65/58/1132446558.db2.gz SQQBUBQLJAQPOJ-LLVKDONJSA-N 0 1 280.462 3.870 20 0 CHADMN CC(C)(C)c1ccc(CCc2nc([C@H]3CCCN3)no2)cc1 ZINC000842647159 1132447057 /nfs/dbraw/zinc/44/70/57/1132447057.db2.gz LXPGRJWAPMAVTG-OAHLLOKOSA-N 0 1 299.418 3.577 20 0 CHADMN CCCCCC[C@H](C)Cc1nc([C@H]2CCCN2)no1 ZINC000842641655 1132447861 /nfs/dbraw/zinc/44/78/61/1132447861.db2.gz PAKLIXNOVXVMME-QWHCGFSZSA-N 0 1 265.401 3.643 20 0 CHADMN CCOc1ccc(CN2CCc3ccc(C)cc3C2)c(C)n1 ZINC001232309137 1132451989 /nfs/dbraw/zinc/45/19/89/1132451989.db2.gz ZTTIMFSQXRVLGS-UHFFFAOYSA-N 0 1 296.414 3.655 20 0 CHADMN CCOc1ncc(CN2Cc3ccccc3C[C@@H]2C)cc1C ZINC001232307246 1132452517 /nfs/dbraw/zinc/45/25/17/1132452517.db2.gz UGWFJJSBEIBRAY-HNNXBMFYSA-N 0 1 296.414 3.736 20 0 CHADMN CC[C@@H]1CCCN(Cc2ccc(Br)nc2C)C1 ZINC001232323488 1132454663 /nfs/dbraw/zinc/45/46/63/1132454663.db2.gz CNGSOBQVTCKPIF-GFCCVEGCSA-N 0 1 297.240 3.775 20 0 CHADMN CCSC[C@H](C)NCc1c(F)ccc(Cl)c1F ZINC001173288677 1132458174 /nfs/dbraw/zinc/45/81/74/1132458174.db2.gz YDBKWKDCAGTPDB-QMMMGPOBSA-N 0 1 279.783 3.849 20 0 CHADMN COc1cc(CN2CCC[C@@H](C)[C@H]2C)c(OC)cc1Cl ZINC001232372227 1132460217 /nfs/dbraw/zinc/46/02/17/1132460217.db2.gz LVUKKEVMKRAUAJ-VXGBXAGGSA-N 0 1 297.826 3.978 20 0 CHADMN Cc1ccc(OCc2ccccc2)c(CN2CCC2)c1 ZINC001232375296 1132461771 /nfs/dbraw/zinc/46/17/71/1132461771.db2.gz IHHCHIWLAWKCQA-UHFFFAOYSA-N 0 1 267.372 3.780 20 0 CHADMN Fc1ccccc1[C@H]1CCCCN1Cc1n[nH]c2c1CCC2 ZINC001232426164 1132468690 /nfs/dbraw/zinc/46/86/90/1132468690.db2.gz HPHWQWYRXOELIM-GOSISDBHSA-N 0 1 299.393 3.765 20 0 CHADMN Clc1cccc2c1CCN(Cc1ccnc3[nH]ccc31)C2 ZINC001142879783 1132468951 /nfs/dbraw/zinc/46/89/51/1132468951.db2.gz ZWWOOEYAMVRFAB-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN O=C1N[C@H](N[C@@H]2CCCC3(CCCCC3)C2)c2ccccc21 ZINC001173342202 1132469106 /nfs/dbraw/zinc/46/91/06/1132469106.db2.gz WVGDKFZLSUPFOF-PBHICJAKSA-N 0 1 298.430 3.911 20 0 CHADMN Cc1ncc(CN(C)[C@H](C)c2ccccc2Cl)[nH]1 ZINC001232465371 1132473372 /nfs/dbraw/zinc/47/33/72/1132473372.db2.gz KGGYMGMWBCDVLE-SNVBAGLBSA-N 0 1 263.772 3.565 20 0 CHADMN COc1ccc([C@@H](CC(C)C)N[C@@H]2CCn3ccnc32)cc1 ZINC000842871755 1132473714 /nfs/dbraw/zinc/47/37/14/1132473714.db2.gz SGLDXPCBCAUKOD-IAGOWNOFSA-N 0 1 299.418 3.714 20 0 CHADMN CCCC1CCN(Cc2nc(CC)cs2)CC1 ZINC001232472106 1132476488 /nfs/dbraw/zinc/47/64/88/1132476488.db2.gz DJGFFWYXBIFYFC-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN Cc1cccc(F)c1CN1CCC2(CC(F)(F)CO2)CC1 ZINC001232489176 1132478813 /nfs/dbraw/zinc/47/88/13/1132478813.db2.gz JKQUDMUCJLKHBU-UHFFFAOYSA-N 0 1 299.336 3.524 20 0 CHADMN COc1cc(Cl)ccc1CN1CC[C@](C)(CF)C1 ZINC001232496413 1132479625 /nfs/dbraw/zinc/47/96/25/1132479625.db2.gz PTMOZRXRIXFKIV-CQSZACIVSA-N 0 1 271.763 3.530 20 0 CHADMN Fc1ccc(C2CCN(Cc3cc(F)ccn3)CC2)cc1 ZINC001232494423 1132480186 /nfs/dbraw/zinc/48/01/86/1132480186.db2.gz RYDGQHXDGOFGQJ-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN FCc1cccc(CN2CC=C(c3ccccc3)CC2)n1 ZINC001232539273 1132486078 /nfs/dbraw/zinc/48/60/78/1132486078.db2.gz KXKLCABWHVIVHO-UHFFFAOYSA-N 0 1 282.362 3.840 20 0 CHADMN CCC[N@@H+](Cc1ccccc1)Cc1cccn2ccnc12 ZINC001142956602 1132487461 /nfs/dbraw/zinc/48/74/61/1132487461.db2.gz XXBJDQKVQNAFQZ-UHFFFAOYSA-N 0 1 279.387 3.747 20 0 CHADMN Cc1nc([C@@H](C)NC2Cc3cc(F)c(F)cc3C2)cs1 ZINC001173470790 1132489019 /nfs/dbraw/zinc/48/90/19/1132489019.db2.gz ABONHQWJXODMNE-MRVPVSSYSA-N 0 1 294.370 3.548 20 0 CHADMN c1ccc(COc2ccnc(CN3CCCCC3)c2)cc1 ZINC001232585933 1132490136 /nfs/dbraw/zinc/49/01/36/1132490136.db2.gz LLKDPACLACNUEA-UHFFFAOYSA-N 0 1 282.387 3.647 20 0 CHADMN Cn1nc(-c2ccccc2)cc1CN1CCC[C@@H]2CCC[C@H]21 ZINC001143013158 1132492965 /nfs/dbraw/zinc/49/29/65/1132492965.db2.gz VRNFNURESJVWTE-QFBILLFUSA-N 0 1 295.430 3.852 20 0 CHADMN F[C@H]1CSC2(CN(Cc3ccc4ccsc4c3)C2)C1 ZINC001232613749 1132493936 /nfs/dbraw/zinc/49/39/36/1132493936.db2.gz BIAXVPHJZBLNDN-CYBMUJFWSA-N 0 1 293.432 3.931 20 0 CHADMN COc1ccc2c(c1)CN(Cc1c(C)cccc1OC)CC2 ZINC001232620207 1132496565 /nfs/dbraw/zinc/49/65/65/1132496565.db2.gz KRLFYZOVPYTSNF-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2csc3c2CC[C@H](C)C3)n1 ZINC000843146385 1132497729 /nfs/dbraw/zinc/49/77/29/1132497729.db2.gz IYQPFVICCKQOQZ-TVQRCGJNSA-N 0 1 291.420 3.579 20 0 CHADMN CC(C)[C@H](N)c1noc(/C=C/c2ccc(Cl)s2)n1 ZINC000843148257 1132497963 /nfs/dbraw/zinc/49/79/63/1132497963.db2.gz OHOOMXBGYIDHGL-MALLOTDXSA-N 0 1 283.784 3.611 20 0 CHADMN CC(C)[C@@H](N)c1noc(C(C)(C)c2cccc(Cl)c2)n1 ZINC000843149423 1132498945 /nfs/dbraw/zinc/49/89/45/1132498945.db2.gz NCORAIRMLZAVHI-GFCCVEGCSA-N 0 1 293.798 3.705 20 0 CHADMN CC(C)[C@@H](N)c1noc(C[C@@H](c2ccccc2)C(C)C)n1 ZINC000843148784 1132499196 /nfs/dbraw/zinc/49/91/96/1132499196.db2.gz FAZHNNQISDNZPN-GDBMZVCRSA-N 0 1 287.407 3.708 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(-c2ccc3[nH]ccc3c2)no1 ZINC000843177005 1132500575 /nfs/dbraw/zinc/50/05/75/1132500575.db2.gz ZXLAIVXMLHKQED-AWEZNQCLSA-N 0 1 298.390 3.915 20 0 CHADMN C[C@@H]1CCCN(Cc2occc2Br)C[C@@H]1C ZINC001143116790 1132503502 /nfs/dbraw/zinc/50/35/02/1132503502.db2.gz UIFBZTDEWNIQIE-MNOVXSKESA-N 0 1 286.213 3.910 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(Br)[nH]2)C[C@H]1C ZINC001232684168 1132505090 /nfs/dbraw/zinc/50/50/90/1132505090.db2.gz LZGNWGFOIVQNLF-GHMZBOCLSA-N 0 1 285.229 3.645 20 0 CHADMN Brc1ccc(CN2C3CCCC2CCC3)[nH]1 ZINC001232691049 1132508322 /nfs/dbraw/zinc/50/83/22/1132508322.db2.gz USIGQHCCBGDSJP-UHFFFAOYSA-N 0 1 283.213 3.684 20 0 CHADMN Clc1ccc2cc(CN3CC4(CCC4)C3)[nH]c2c1 ZINC001232728051 1132509273 /nfs/dbraw/zinc/50/92/73/1132509273.db2.gz MWCYRSYYPJZHMG-UHFFFAOYSA-N 0 1 260.768 3.807 20 0 CHADMN CCCO[C@@H]1CCN(Cc2cc3ccc(Cl)cc3[nH]2)C1 ZINC001232728127 1132510679 /nfs/dbraw/zinc/51/06/79/1132510679.db2.gz ARZYKUVOQOVQLY-OAHLLOKOSA-N 0 1 292.810 3.822 20 0 CHADMN CN(Cc1ccon1)C1CCC2(CCc3ccccc32)CC1 ZINC001173690798 1132511310 /nfs/dbraw/zinc/51/13/10/1132511310.db2.gz ZXRRHODKTVPUHZ-UHFFFAOYSA-N 0 1 296.414 3.933 20 0 CHADMN COc1ncc(CN2CC3(CCCCC3)[C@H]2C(C)C)s1 ZINC001206215473 1132513724 /nfs/dbraw/zinc/51/37/24/1132513724.db2.gz OGBNIPBHFCWDQW-CQSZACIVSA-N 0 1 294.464 3.942 20 0 CHADMN CSc1cc(F)ccc1NC(=S)NC(C)(C)C ZINC000843283816 1132514900 /nfs/dbraw/zinc/51/49/00/1132514900.db2.gz JNWCKYKVALTTPX-UHFFFAOYSA-N 0 1 272.414 3.633 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)nc1 ZINC000843289895 1132516163 /nfs/dbraw/zinc/51/61/63/1132516163.db2.gz ZUWRCOKOXXGJOQ-MRXNPFEDSA-N 0 1 272.779 3.821 20 0 CHADMN Cc1c(CN2CCC23CCCC3)ccnc1Cl ZINC001232752300 1132516293 /nfs/dbraw/zinc/51/62/93/1132516293.db2.gz USMFGEVJVRBXFA-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN Cc1cc(CN2CC[C@H](c3cccnc3)C2)c(F)cc1F ZINC001232782141 1132518070 /nfs/dbraw/zinc/51/80/70/1132518070.db2.gz FWQXMAFSODISTE-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1cc(Nc2ccccc2C)n(-c2ccncc2)n1 ZINC001173814723 1132518697 /nfs/dbraw/zinc/51/86/97/1132518697.db2.gz DDKDGFWJEKVFLE-UHFFFAOYSA-N 0 1 264.332 3.628 20 0 CHADMN CSC1CCN(Cc2cc(C)c(F)cc2F)CC1 ZINC001232782694 1132519034 /nfs/dbraw/zinc/51/90/34/1132519034.db2.gz ORDSWALIWMEYQC-UHFFFAOYSA-N 0 1 271.376 3.601 20 0 CHADMN Cc1cc(CN2CCC3(CCC3)C2)c(F)cc1F ZINC001232785872 1132520458 /nfs/dbraw/zinc/52/04/58/1132520458.db2.gz DPSULUCZHRBNGG-UHFFFAOYSA-N 0 1 251.320 3.649 20 0 CHADMN CCCn1cnc(CN(Cc2ccccc2)C2CCC2)c1 ZINC001232799997 1132523580 /nfs/dbraw/zinc/52/35/80/1132523580.db2.gz HAUBXJSRZJOECR-UHFFFAOYSA-N 0 1 283.419 3.848 20 0 CHADMN COc1cc(O)cc(CN2CCC[C@@H]2c2cccs2)c1 ZINC001232803934 1132524483 /nfs/dbraw/zinc/52/44/83/1132524483.db2.gz RJRVMQCZLGTKFG-OAHLLOKOSA-N 0 1 289.400 3.799 20 0 CHADMN COc1cc(O)cc(CN2Cc3ccccc3C(C)(C)C2)c1 ZINC001232806193 1132524851 /nfs/dbraw/zinc/52/48/51/1132524851.db2.gz BUIVIGOTLCZUNJ-UHFFFAOYSA-N 0 1 297.398 3.694 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cc(O)cc(OC)c1 ZINC001232806189 1132524904 /nfs/dbraw/zinc/52/49/04/1132524904.db2.gz BLOFKQMGVVCQFW-IBGZPJMESA-N 0 1 297.398 3.910 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H](CC)C2)c(F)c1F ZINC001143278788 1132527805 /nfs/dbraw/zinc/52/78/05/1132527805.db2.gz OTSAQSUMWLZZRA-GFCCVEGCSA-N 0 1 283.362 3.986 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H]2CC)c(F)c1F ZINC001143276903 1132527823 /nfs/dbraw/zinc/52/78/23/1132527823.db2.gz XVLNVPWASLMZNT-LBPRGKRZSA-N 0 1 269.335 3.738 20 0 CHADMN CC[C@H]1CCC[C@H](CN2CCc3cc(Cl)nnc3C2)C1 ZINC000843417869 1132530748 /nfs/dbraw/zinc/53/07/48/1132530748.db2.gz DNOUTMUDOZWFDK-STQMWFEESA-N 0 1 293.842 3.705 20 0 CHADMN Brc1coc(CN2CCC[C@@H]3CCC[C@H]32)c1 ZINC001232857660 1132530871 /nfs/dbraw/zinc/53/08/71/1132530871.db2.gz USNNJKQEFDNQOJ-GXFFZTMASA-N 0 1 284.197 3.807 20 0 CHADMN CCN(C)Cc1c(Cl)cccc1C(F)(F)F ZINC001143283119 1132530975 /nfs/dbraw/zinc/53/09/75/1132530975.db2.gz MLHWJRQMXZGUJH-UHFFFAOYSA-N 0 1 251.679 3.811 20 0 CHADMN Oc1ccc2[nH]cc(CN3CCc4c(F)cccc4C3)c2c1 ZINC001232867514 1132533395 /nfs/dbraw/zinc/53/33/95/1132533395.db2.gz COJGBPDGWYOKIM-UHFFFAOYSA-N 0 1 296.345 3.571 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ccc(F)c(OC)c1F ZINC001143321857 1132537351 /nfs/dbraw/zinc/53/73/51/1132537351.db2.gz PRWNOQHDZKVMTK-GFCCVEGCSA-N 0 1 269.335 3.738 20 0 CHADMN CN(Cc1cccnc1)Cc1ccccc1-n1cccc1 ZINC001232907372 1132542791 /nfs/dbraw/zinc/54/27/91/1132542791.db2.gz HUJPQNLVMNFEKD-UHFFFAOYSA-N 0 1 277.371 3.504 20 0 CHADMN [O-]c1c(F)ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1F ZINC001232934214 1132543514 /nfs/dbraw/zinc/54/35/14/1132543514.db2.gz BVZZEPXKSHFCGD-NEPJUHHUSA-N 0 1 281.346 3.683 20 0 CHADMN CCC[N@@H+](Cc1ccc(F)c([O-])c1F)[C@@H](C)CC ZINC001232932472 1132544726 /nfs/dbraw/zinc/54/47/26/1132544726.db2.gz ZFPNONFGKZQAIF-JTQLQIEISA-N 0 1 257.324 3.681 20 0 CHADMN Cc1cc(C)c(Nc2ccnn2-c2ccncc2)c(C)c1 ZINC001173843696 1132545349 /nfs/dbraw/zinc/54/53/49/1132545349.db2.gz OVNLPFRNZLQXDD-UHFFFAOYSA-N 0 1 278.359 3.936 20 0 CHADMN O=C1CCN(Cc2ccc(C3CC3)cc2)[C@H]2CCCC[C@H]12 ZINC001232985077 1132556037 /nfs/dbraw/zinc/55/60/37/1132556037.db2.gz VPIBGHYQNPAROY-ROUUACIJSA-N 0 1 283.415 3.898 20 0 CHADMN CCOc1ccc(Nc2cc(C)nn2-c2ccncc2)cc1 ZINC001173852038 1132556063 /nfs/dbraw/zinc/55/60/63/1132556063.db2.gz ZDQHXLMDWFFFQC-UHFFFAOYSA-N 0 1 294.358 3.718 20 0 CHADMN C[C@@H]1CC[N@H+](Cc2cccc([O-])c2Cl)[C@@H](C)C1 ZINC000328494363 1132557682 /nfs/dbraw/zinc/55/76/82/1132557682.db2.gz UAJDSOKEHAPWRP-MNOVXSKESA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc([O-])c2Cl)[C@@H](C)C1 ZINC000328494363 1132557683 /nfs/dbraw/zinc/55/76/83/1132557683.db2.gz UAJDSOKEHAPWRP-MNOVXSKESA-N 0 1 253.773 3.666 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCC[C@H](C)CC1 ZINC001233019283 1132564347 /nfs/dbraw/zinc/56/43/47/1132564347.db2.gz OZZJIMREAWBZPZ-LBPRGKRZSA-N 0 1 281.421 3.547 20 0 CHADMN CCOC(=O)c1ccsc1CN(C)C(CC)CC ZINC001233021483 1132564495 /nfs/dbraw/zinc/56/44/95/1132564495.db2.gz MRVSSFKIINZLQL-UHFFFAOYSA-N 0 1 269.410 3.545 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCC[C@H](CC)C1 ZINC001233021159 1132564837 /nfs/dbraw/zinc/56/48/37/1132564837.db2.gz BBVROLXGLSYTGQ-LBPRGKRZSA-N 0 1 281.421 3.547 20 0 CHADMN CCOC(=O)c1ccsc1CN1C2CCCC1CCC2 ZINC001233024588 1132565620 /nfs/dbraw/zinc/56/56/20/1132565620.db2.gz UYOWFQRFPMEYHR-UHFFFAOYSA-N 0 1 293.432 3.832 20 0 CHADMN CN(Cc1cccc(O)c1F)[C@@H]1CCc2ccccc21 ZINC001233055575 1132566640 /nfs/dbraw/zinc/56/66/40/1132566640.db2.gz UCTPHFRSWNORNW-OAHLLOKOSA-N 0 1 271.335 3.651 20 0 CHADMN CC[N@H+](Cc1cccc([O-])c1F)C1CCCCC1 ZINC001233049243 1132566656 /nfs/dbraw/zinc/56/66/56/1132566656.db2.gz LFIXYLRJVZEYKJ-UHFFFAOYSA-N 0 1 251.345 3.686 20 0 CHADMN CC[N@@H+](Cc1cccc([O-])c1F)C1CCCCC1 ZINC001233049243 1132566662 /nfs/dbraw/zinc/56/66/62/1132566662.db2.gz LFIXYLRJVZEYKJ-UHFFFAOYSA-N 0 1 251.345 3.686 20 0 CHADMN CCN(Cc1cccs1)Cc1[nH]nc2cc(F)ccc21 ZINC001233126312 1132571829 /nfs/dbraw/zinc/57/18/29/1132571829.db2.gz JTKLSDABLHCVQG-UHFFFAOYSA-N 0 1 289.379 3.786 20 0 CHADMN Cc1cc(CN2CCc3ccccc3[C@H]2C)cnc1C ZINC001233155747 1132575254 /nfs/dbraw/zinc/57/52/54/1132575254.db2.gz BFLKDFKEXDPFJF-OAHLLOKOSA-N 0 1 266.388 3.818 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cnc(C)c(C)c1)CCC2 ZINC001233163142 1132575272 /nfs/dbraw/zinc/57/52/72/1132575272.db2.gz SBHYIHOLNMNZMD-UHFFFAOYSA-N 0 1 296.414 3.655 20 0 CHADMN Cc1cc(C)c(NC(=O)c2ccn3cncc3c2)cc1C ZINC001151902001 1132575536 /nfs/dbraw/zinc/57/55/36/1132575536.db2.gz HEECTFZFTHUHMP-UHFFFAOYSA-N 0 1 279.343 3.512 20 0 CHADMN Cc1cccc(-c2ccc(CN3CCOC[C@H]3C)cc2)c1 ZINC001233223630 1132582604 /nfs/dbraw/zinc/58/26/04/1132582604.db2.gz QDRYFZLQGIHSKC-MRXNPFEDSA-N 0 1 281.399 3.883 20 0 CHADMN Cc1ccc(CN2CCSC[C@@H]2c2ccccc2)cc1O ZINC001233233746 1132585895 /nfs/dbraw/zinc/58/58/95/1132585895.db2.gz QBSKOOKVOQTQAS-QGZVFWFLSA-N 0 1 299.439 3.991 20 0 CHADMN Cc1ccc(Cl)cc1CN(C)Cc1cccc(O)c1 ZINC001233247838 1132586555 /nfs/dbraw/zinc/58/65/55/1132586555.db2.gz MBJFZUOQGIMYOM-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)c2cc3c[nH]cnc-3n2)cc1 ZINC001152986787 1132589188 /nfs/dbraw/zinc/58/91/88/1132589188.db2.gz ZQTVDEARGMDLEU-NSHDSACASA-N 0 1 294.358 3.675 20 0 CHADMN C[C@]1(F)CCC[N@@H+](Cc2ccc([S-])cc2)CC1 ZINC001233258725 1132590309 /nfs/dbraw/zinc/59/03/09/1132590309.db2.gz QRPKQRIEWQBRJZ-AWEZNQCLSA-N 0 1 253.386 3.689 20 0 CHADMN COc1c(O)cccc1CN1Cc2ccccc2[C@@H](C)C1 ZINC001233254149 1132590664 /nfs/dbraw/zinc/59/06/64/1132590664.db2.gz JWDNJFMYKHVMEG-ZDUSSCGKSA-N 0 1 283.371 3.520 20 0 CHADMN C[N@@H+](Cc1ccc(F)cc1)Cc1ccc([S-])cc1 ZINC001233258772 1132590854 /nfs/dbraw/zinc/59/08/54/1132590854.db2.gz SQNHVCGTEQPPON-UHFFFAOYSA-N 0 1 261.365 3.746 20 0 CHADMN CC(C)(C)c1cccc(NC(=O)c2n[nH]c3cccnc32)c1 ZINC001153154148 1132591124 /nfs/dbraw/zinc/59/11/24/1132591124.db2.gz UTIRLXTZQFXEPR-UHFFFAOYSA-N 0 1 294.358 3.508 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1cccc(O)c1OC ZINC001233257441 1132591167 /nfs/dbraw/zinc/59/11/67/1132591167.db2.gz IDVSUHJQSJDIKC-INIZCTEOSA-N 0 1 285.387 3.984 20 0 CHADMN F[C@H]1C[N@H+](Cc2ccc([S-])cc2)CCCC1(F)F ZINC001233259481 1132591702 /nfs/dbraw/zinc/59/17/02/1132591702.db2.gz UNRFAJHHKPAGBZ-LBPRGKRZSA-N 0 1 275.339 3.545 20 0 CHADMN F[C@H]1C[N@@H+](Cc2ccc([S-])cc2)CCCC1(F)F ZINC001233259481 1132591707 /nfs/dbraw/zinc/59/17/07/1132591707.db2.gz UNRFAJHHKPAGBZ-LBPRGKRZSA-N 0 1 275.339 3.545 20 0 CHADMN COc1ccc([C@@H]2CC[N@@H+](Cc3ccc([S-])cc3)C2)cc1 ZINC001233262024 1132593929 /nfs/dbraw/zinc/59/39/29/1132593929.db2.gz NZGYHVXROHLEKJ-MRXNPFEDSA-N 0 1 299.439 3.973 20 0 CHADMN Cc1cc(CN(Cc2ccccc2)C(C)C)sn1 ZINC001233309519 1132597574 /nfs/dbraw/zinc/59/75/74/1132597574.db2.gz NGXGNSBTTLLVBE-UHFFFAOYSA-N 0 1 260.406 3.862 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)c2cnc3nc[nH]c3c2)cc1 ZINC001153722997 1132599318 /nfs/dbraw/zinc/59/93/18/1132599318.db2.gz CBAQITIKPOZZMK-NSHDSACASA-N 0 1 294.358 3.724 20 0 CHADMN CCOC[C@@]12CCC[C@@H]1CN(Cc1ccc(Cl)o1)C2 ZINC001233314745 1132599410 /nfs/dbraw/zinc/59/94/10/1132599410.db2.gz LDKDIKJMHAQIQB-DOMZBBRYSA-N 0 1 283.799 3.572 20 0 CHADMN Cc1cnsc1CN(Cc1ccccc1)C(C)C ZINC001233317732 1132599889 /nfs/dbraw/zinc/59/98/89/1132599889.db2.gz APYFJNPUANGMKI-UHFFFAOYSA-N 0 1 260.406 3.862 20 0 CHADMN C[C@@H](CC(=O)Nc1nc(C2CCC2)n[nH]1)C1CCCCC1 ZINC001153735791 1132599918 /nfs/dbraw/zinc/59/99/18/1132599918.db2.gz WRHJFQYBXMWMTG-NSHDSACASA-N 0 1 290.411 3.617 20 0 CHADMN C[C@@H](CC(=O)Nc1n[nH]c(C2CCC2)n1)C1CCCCC1 ZINC001153735791 1132599922 /nfs/dbraw/zinc/59/99/22/1132599922.db2.gz WRHJFQYBXMWMTG-NSHDSACASA-N 0 1 290.411 3.617 20 0 CHADMN CC1(C)CN(Cc2ccc(Cc3ccccc3)cc2)CCO1 ZINC001233329716 1132600812 /nfs/dbraw/zinc/60/08/12/1132600812.db2.gz IMAXIEACHQUCOK-UHFFFAOYSA-N 0 1 295.426 3.888 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Cc3ccccc3)cc2)[C@H](C)CO1 ZINC001233330942 1132600840 /nfs/dbraw/zinc/60/08/40/1132600840.db2.gz AUBYHFHBZWTYAV-IAGOWNOFSA-N 0 1 295.426 3.887 20 0 CHADMN Cc1cnsc1CN(C)Cc1ccc(C)c(C)c1 ZINC001233321979 1132600899 /nfs/dbraw/zinc/60/08/99/1132600899.db2.gz MPWXUOBXGYVFGQ-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN CCCCCN(C)Cc1cc(F)c(OC)cc1F ZINC001233340728 1132605314 /nfs/dbraw/zinc/60/53/14/1132605314.db2.gz PCJZDQYHRHHNDN-UHFFFAOYSA-N 0 1 257.324 3.595 20 0 CHADMN COc1cc(F)c(CN2CCC3(CCC3)CC2)cc1F ZINC001233341174 1132606527 /nfs/dbraw/zinc/60/65/27/1132606527.db2.gz GHTNOANKBAPURN-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN Cc1cc(Nc2cc(F)cc(F)c2)n(-c2ccncc2)n1 ZINC001173913932 1132609229 /nfs/dbraw/zinc/60/92/29/1132609229.db2.gz KSWUPXWOCBTECB-UHFFFAOYSA-N 0 1 286.285 3.598 20 0 CHADMN Clc1cccc2ncc(CN3CCC[C@@H]4CCC[C@H]43)n21 ZINC001233359415 1132609527 /nfs/dbraw/zinc/60/95/27/1132609527.db2.gz VWIHHXKWKUFZOL-GXTWGEPZSA-N 0 1 289.810 3.752 20 0 CHADMN C[C@@H]1CCCC[N@@H+](Cc2cnc3cccc(Cl)n23)C1 ZINC001233356619 1132609975 /nfs/dbraw/zinc/60/99/75/1132609975.db2.gz SVJITGVOMNCDHJ-GFCCVEGCSA-N 0 1 277.799 3.610 20 0 CHADMN C[N@@H+](CCc1ccccc1)Cc1cnc2cccc(Cl)n12 ZINC001233355548 1132610223 /nfs/dbraw/zinc/61/02/23/1132610223.db2.gz BIDRHSOOUHPCJV-UHFFFAOYSA-N 0 1 299.805 3.662 20 0 CHADMN CC(C)=C(C)CC(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001154232721 1132610474 /nfs/dbraw/zinc/61/04/74/1132610474.db2.gz XOOYEVVYRJVUBP-UHFFFAOYSA-N 0 1 277.755 3.901 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cnc3cccc(Cl)n23)CC1 ZINC001233356642 1132610660 /nfs/dbraw/zinc/61/06/60/1132610660.db2.gz UBDSFOAERNOGDC-GFCCVEGCSA-N 0 1 277.799 3.610 20 0 CHADMN C[C@@H]1CCCN(Cc2cnc3cccc(Cl)n23)CC1 ZINC001233356642 1132610662 /nfs/dbraw/zinc/61/06/62/1132610662.db2.gz UBDSFOAERNOGDC-GFCCVEGCSA-N 0 1 277.799 3.610 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1ccc(N)cc1Cl ZINC001233376955 1132611825 /nfs/dbraw/zinc/61/18/25/1132611825.db2.gz IWPRDDOZNSATJV-GFCCVEGCSA-N 0 1 286.806 3.869 20 0 CHADMN Nc1cccc(CN2CCC[C@H]2c2ccc(Cl)cc2)n1 ZINC001233371197 1132612442 /nfs/dbraw/zinc/61/24/42/1132612442.db2.gz DVSBAXLVSUIVDQ-HNNXBMFYSA-N 0 1 287.794 3.654 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cc(F)c(F)cc1N ZINC001233381955 1132614154 /nfs/dbraw/zinc/61/41/54/1132614154.db2.gz ZPRIEJJIUZUUEZ-UHFFFAOYSA-N 0 1 294.320 3.708 20 0 CHADMN Cc1cc(Nc2ccc(F)cc2F)n(-c2ccncc2)n1 ZINC001173926110 1132618252 /nfs/dbraw/zinc/61/82/52/1132618252.db2.gz MVODNMOYSUSAAX-UHFFFAOYSA-N 0 1 286.285 3.598 20 0 CHADMN Clc1nc2[nH]cnc2c(N[C@H](c2ccccc2)C2CC2)n1 ZINC001154642994 1132619209 /nfs/dbraw/zinc/61/92/09/1132619209.db2.gz SNZRUKLUHDFGMY-LLVKDONJSA-N 0 1 299.765 3.570 20 0 CHADMN Clc1cccn2cc(CN3CCCCCCC3)nc12 ZINC001233423452 1132619997 /nfs/dbraw/zinc/61/99/97/1132619997.db2.gz XDJIKVULDKBCNV-UHFFFAOYSA-N 0 1 277.799 3.754 20 0 CHADMN CC(C)(C)c1ccc(Nc2ccnc(CO)c2)cc1 ZINC001173879967 1132622203 /nfs/dbraw/zinc/62/22/03/1132622203.db2.gz LUCIEDSUNQGWTG-UHFFFAOYSA-N 0 1 256.349 3.615 20 0 CHADMN c1ccc(COc2ccc(Nc3ccncc3)cc2)cc1 ZINC001173882872 1132623759 /nfs/dbraw/zinc/62/37/59/1132623759.db2.gz ZHNHCWUVCKJZTD-UHFFFAOYSA-N 0 1 276.339 3.826 20 0 CHADMN CC(C)(C)OC(=O)n1ccc(CN2CCC23CCCC3)c1 ZINC001233430399 1132623726 /nfs/dbraw/zinc/62/37/26/1132623726.db2.gz LUVRBQQPHXKDPQ-UHFFFAOYSA-N 0 1 290.407 3.790 20 0 CHADMN c1ccc(OC2CCCC2)c(Nc2ccncc2)c1 ZINC001173883370 1132623781 /nfs/dbraw/zinc/62/37/81/1132623781.db2.gz HGGZYFKDRBNKPI-UHFFFAOYSA-N 0 1 254.333 3.569 20 0 CHADMN COc1ccc(-c2ccccc2)c(Nc2ccncc2)c1 ZINC001173883358 1132624038 /nfs/dbraw/zinc/62/40/38/1132624038.db2.gz GVVGWEMADAINRP-UHFFFAOYSA-N 0 1 276.339 3.923 20 0 CHADMN Brc1cc(CN2CCC3(CCCC3)C2)c[nH]1 ZINC001233437200 1132624010 /nfs/dbraw/zinc/62/40/10/1132624010.db2.gz PTNXOMBEJNYYOG-UHFFFAOYSA-N 0 1 283.213 3.543 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1cncc(Cl)n1 ZINC001233450556 1132624492 /nfs/dbraw/zinc/62/44/92/1132624492.db2.gz ZRTAPQJJTVPYAN-AWEZNQCLSA-N 0 1 275.783 3.713 20 0 CHADMN CCCCN(Cc1ccccc1)Cc1cncc(Cl)n1 ZINC001233449286 1132624831 /nfs/dbraw/zinc/62/48/31/1132624831.db2.gz XHVPJWDPKLWHNA-UHFFFAOYSA-N 0 1 289.810 3.932 20 0 CHADMN F[C@@H]1CCC[N@@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001233444500 1132625252 /nfs/dbraw/zinc/62/52/52/1132625252.db2.gz SSVSLLSDMOHSRV-CYBMUJFWSA-N 0 1 278.758 3.822 20 0 CHADMN F[C@@H]1CCCN(Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001233444500 1132625257 /nfs/dbraw/zinc/62/52/57/1132625257.db2.gz SSVSLLSDMOHSRV-CYBMUJFWSA-N 0 1 278.758 3.822 20 0 CHADMN CCOc1ccnc(NCc2ccc3c(ccn3C)c2)c1 ZINC001154804283 1132626000 /nfs/dbraw/zinc/62/60/00/1132626000.db2.gz QKHQITDQVJJJRV-UHFFFAOYSA-N 0 1 281.359 3.584 20 0 CHADMN C[C@@H]1CCCCN(Cc2cn3c(cccc3Cl)n2)C1 ZINC001233551906 1132635128 /nfs/dbraw/zinc/63/51/28/1132635128.db2.gz VCAVBZQXPDTBIX-GFCCVEGCSA-N 0 1 277.799 3.610 20 0 CHADMN O=c1cc(Cl)c(O[C@H]2CCc3ccc(Cl)cc32)n[nH]1 ZINC001233589116 1132643971 /nfs/dbraw/zinc/64/39/71/1132643971.db2.gz IMWAHGYCNWNBMQ-NSHDSACASA-N 0 1 297.141 3.555 20 0 CHADMN COc1cccc(CCNc2nc(C)cc3ccccc32)n1 ZINC001155236967 1132650363 /nfs/dbraw/zinc/65/03/63/1132650363.db2.gz ADFBHNZYRMQCSG-UHFFFAOYSA-N 0 1 293.370 3.601 20 0 CHADMN Cc1cc(CN2CCc3sccc3C2)sc1C ZINC001233655768 1132657249 /nfs/dbraw/zinc/65/72/49/1132657249.db2.gz MEBOPGVECCTNFH-UHFFFAOYSA-N 0 1 263.431 3.985 20 0 CHADMN CC(C)(C)c1cc(N=C2CCCC2)c(C(N)=O)s1 ZINC001173997078 1132670087 /nfs/dbraw/zinc/67/00/87/1132670087.db2.gz GRGXQVLGUPGBLL-UHFFFAOYSA-N 0 1 264.394 3.624 20 0 CHADMN Cc1cc2ccccc2c(NCc2ccccc2N)n1 ZINC001155983733 1132674413 /nfs/dbraw/zinc/67/44/13/1132674413.db2.gz DJFIRAKVLMJMGT-UHFFFAOYSA-N 0 1 263.344 3.738 20 0 CHADMN COc1cccc(Nc2cc(C)nc3ccccc32)c1F ZINC001173971876 1132681715 /nfs/dbraw/zinc/68/17/15/1132681715.db2.gz UYNZFLKLGXKWJV-UHFFFAOYSA-N 0 1 282.318 3.856 20 0 CHADMN c1coc(CSCCNc2ccc3c(n2)CCCC3)c1 ZINC001156192572 1132687398 /nfs/dbraw/zinc/68/73/98/1132687398.db2.gz ZUMJKXWFTJJSSC-UHFFFAOYSA-N 0 1 288.416 3.899 20 0 CHADMN CC(CC(=O)OC(C)C)=Nc1nccc2ccccc21 ZINC001156509308 1132700568 /nfs/dbraw/zinc/70/05/68/1132700568.db2.gz NFKWPQWPKGUFMY-BENRWUELSA-N 0 1 270.332 3.502 20 0 CHADMN Cc1cccc2ccc(N(C(=N)N)c3ccc(F)cc3)nc12 ZINC001157224852 1132724645 /nfs/dbraw/zinc/72/46/45/1132724645.db2.gz KVBJJHIWCWADIU-UHFFFAOYSA-N 0 1 294.333 3.714 20 0 CHADMN N=C(N)N(c1ccc(F)cc1)c1ncc(F)c2ccccc21 ZINC001157225088 1132725316 /nfs/dbraw/zinc/72/53/16/1132725316.db2.gz AOUACMNAIPERPJ-UHFFFAOYSA-N 0 1 298.296 3.545 20 0 CHADMN Cc1cc(N(C(=N)N)c2ccc(F)cc2)nc2ccccc12 ZINC001157225133 1132725697 /nfs/dbraw/zinc/72/56/97/1132725697.db2.gz BNBCPUOKZAMIOT-UHFFFAOYSA-N 0 1 294.333 3.714 20 0 CHADMN Cc1cc2ccccc2nc1N(C(=N)N)c1ccc(F)cc1 ZINC001157226919 1132725723 /nfs/dbraw/zinc/72/57/23/1132725723.db2.gz YGICLSCYLSXTAI-UHFFFAOYSA-N 0 1 294.333 3.714 20 0 CHADMN Cc1ccc(F)c(Nc2cccc(N3CCN(C)CC3)c2)c1 ZINC001174111968 1132726960 /nfs/dbraw/zinc/72/69/60/1132726960.db2.gz QHKPHOXSTKFBMG-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN COC(=O)[C@@H]1C[C@H](Nc2nccc3cccc(C)c32)C1(C)C ZINC001157556290 1132734370 /nfs/dbraw/zinc/73/43/70/1132734370.db2.gz ZSMIKGOVHHOJBU-KBPBESRZSA-N 0 1 298.386 3.543 20 0 CHADMN Cc1cc2ccccc2c(NC[C@@H]2CC(C)(C)O2)n1 ZINC001157661436 1132738330 /nfs/dbraw/zinc/73/83/30/1132738330.db2.gz UOOJLMMYJOKHMG-ZDUSSCGKSA-N 0 1 256.349 3.523 20 0 CHADMN Cc1cnc(N[C@H]2CCCc3cccnc32)cc1C ZINC001157852405 1132750316 /nfs/dbraw/zinc/75/03/16/1132750316.db2.gz XKYWTVYTBDGHEI-AWEZNQCLSA-N 0 1 253.349 3.583 20 0 CHADMN Cc1ccc(NCCCCc2ccccn2)nc1C ZINC001157972274 1132757768 /nfs/dbraw/zinc/75/77/68/1132757768.db2.gz HMKDJXJRINIYES-UHFFFAOYSA-N 0 1 255.365 3.528 20 0 CHADMN COc1cc2cnc(NCCC3CCC3)cc2cc1OC ZINC001158053574 1132762870 /nfs/dbraw/zinc/76/28/70/1132762870.db2.gz ZYFLRTULZAJNKQ-UHFFFAOYSA-N 0 1 286.375 3.854 20 0 CHADMN CC[C@@H](C)N1CCN(C(=O)CCCCCC(C)C)CC1 ZINC001158144422 1132764963 /nfs/dbraw/zinc/76/49/63/1132764963.db2.gz HQNKYINSAZOMLS-MRXNPFEDSA-N 0 1 282.472 3.536 20 0 CHADMN c1cn2cc(Nc3cnccc3C3CCC3)ccc2n1 ZINC001174278999 1132768961 /nfs/dbraw/zinc/76/89/61/1132768961.db2.gz UMXXJHOIMMPCPW-UHFFFAOYSA-N 0 1 264.332 3.740 20 0 CHADMN CCCOc1ccccc1Nc1ccc2nccn2c1 ZINC001174280101 1132769477 /nfs/dbraw/zinc/76/94/77/1132769477.db2.gz PJCLDTLSSKQLEK-UHFFFAOYSA-N 0 1 267.332 3.867 20 0 CHADMN Clc1ncnc2ccc(Nc3ccc4nccn4c3)cc12 ZINC001174279627 1132770085 /nfs/dbraw/zinc/77/00/85/1132770085.db2.gz FGYNPLZGXHLJBX-UHFFFAOYSA-N 0 1 295.733 3.675 20 0 CHADMN FC1(F)CCC[C@@H](Nc2nc3[nH]cnc3cc2Cl)C1 ZINC001158335046 1132770439 /nfs/dbraw/zinc/77/04/39/1132770439.db2.gz FTNYPVCDXWPLDG-SSDOTTSWSA-N 0 1 286.713 3.601 20 0 CHADMN Cc1cc(Cl)c(Nc2ccc3nccn3c2)cc1O ZINC001174280460 1132770532 /nfs/dbraw/zinc/77/05/32/1132770532.db2.gz XLNQUBBOKJCHBH-UHFFFAOYSA-N 0 1 273.723 3.745 20 0 CHADMN COc1ccnc(N[C@H]2C[C@H](C)c3ccccc32)c1 ZINC001158466459 1132776358 /nfs/dbraw/zinc/77/63/58/1132776358.db2.gz GCCZRGATXUUIRH-NHYWBVRUSA-N 0 1 254.333 3.751 20 0 CHADMN Fc1cc(Nc2ccc3nccn3c2)c(F)c(F)c1F ZINC001174276727 1132786379 /nfs/dbraw/zinc/78/63/79/1132786379.db2.gz LKYDBSQHWPONGE-UHFFFAOYSA-N 0 1 281.212 3.634 20 0 CHADMN Nc1cc(Cl)cc(Cl)c1Nc1ccc2nccn2c1 ZINC001174277314 1132786654 /nfs/dbraw/zinc/78/66/54/1132786654.db2.gz BJWOWSQSPQGGDH-UHFFFAOYSA-N 0 1 293.157 3.967 20 0 CHADMN C[C@H](c1cccc2ccccc21)N(C)Cc1cncn1C ZINC001204386225 1132793132 /nfs/dbraw/zinc/79/31/32/1132793132.db2.gz RWNSUYGESWNYET-CQSZACIVSA-N 0 1 279.387 3.766 20 0 CHADMN Clc1cc(N[C@@H]2C[C@H]2c2ccccc2)c2nc[nH]c2n1 ZINC001158838230 1132795167 /nfs/dbraw/zinc/79/51/67/1132795167.db2.gz RTIYXXWUUVDLHW-WDEREUQCSA-N 0 1 284.750 3.579 20 0 CHADMN CC(C)c1ccc(Nc2cccc3[nH]ncc32)cn1 ZINC001174342624 1132799066 /nfs/dbraw/zinc/79/90/66/1132799066.db2.gz DBWZPOAYUQDCIV-UHFFFAOYSA-N 0 1 252.321 3.825 20 0 CHADMN Cc1cc(Nc2cccc3[nH]ncc32)cnc1Cl ZINC001174342295 1132799466 /nfs/dbraw/zinc/79/94/66/1132799466.db2.gz IZWMFJHIFVVDRS-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Clc1nc2ccccc2nc1Nc1cccc2[nH]ncc21 ZINC001174342011 1132800166 /nfs/dbraw/zinc/80/01/66/1132800166.db2.gz AIPGLJNZSNQYJT-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN COc1cccc(Nc2cccc3[nH]ncc32)c1C ZINC001174344191 1132802688 /nfs/dbraw/zinc/80/26/88/1132802688.db2.gz PHAMXFCDRGKWBE-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cc1noc(-c2ccc(Nc3cccc4[nH]ncc43)cc2)n1 ZINC001174345521 1132804089 /nfs/dbraw/zinc/80/40/89/1132804089.db2.gz GKWGIQMPAKSNBC-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Fc1cc2cccnc2c(Nc2cccc3[nH]ncc32)c1 ZINC001174345479 1132804347 /nfs/dbraw/zinc/80/43/47/1132804347.db2.gz CLYAJDGEPSWEMA-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN C[C@@H]1CCc2cc(N)ccc2N1c1cccc2[nH]ncc21 ZINC001174344560 1132804941 /nfs/dbraw/zinc/80/49/41/1132804941.db2.gz GRFDDTIHILOJBB-LLVKDONJSA-N 0 1 278.359 3.618 20 0 CHADMN O=C1CCCc2cc(Nc3cccc4[nH]ncc43)ccc2N1 ZINC001174344799 1132805032 /nfs/dbraw/zinc/80/50/32/1132805032.db2.gz DLXJRZSRXQEDIO-UHFFFAOYSA-N 0 1 292.342 3.581 20 0 CHADMN CC1(c2ccc(Nc3cccc4[nH]ncc43)cc2)COC1 ZINC001174346641 1132805449 /nfs/dbraw/zinc/80/54/49/1132805449.db2.gz BXOGBVKQZMAEIW-UHFFFAOYSA-N 0 1 279.343 3.594 20 0 CHADMN Clc1cncc(NC2=CCCN(Cc3ccccc3)C2)c1 ZINC001174392987 1132809147 /nfs/dbraw/zinc/80/91/47/1132809147.db2.gz OWZIYDAUGMXLEA-UHFFFAOYSA-N 0 1 299.805 3.937 20 0 CHADMN c1oc2ccccc2c1Nc1cc([C@H]2CCCCN2)no1 ZINC001159313565 1132829163 /nfs/dbraw/zinc/82/91/63/1132829163.db2.gz QSODPGSWYXFWNR-GFCCVEGCSA-N 0 1 283.331 3.979 20 0 CHADMN COc1ccc(C)c(Nc2cc([C@@H]3CCCCN3)no2)c1 ZINC001159313924 1132829180 /nfs/dbraw/zinc/82/91/80/1132829180.db2.gz VJNBVAXLFDYRFN-ZDUSSCGKSA-N 0 1 287.363 3.550 20 0 CHADMN Cc1cccc(Nc2cc([C@@H]3CCCCN3)no2)c1 ZINC001159309828 1132830364 /nfs/dbraw/zinc/83/03/64/1132830364.db2.gz YOKLOMWTVJKARD-ZDUSSCGKSA-N 0 1 257.337 3.541 20 0 CHADMN CC1(C)CC(Nc2ccc3c(n2)CCC3)CC(C)(C)O1 ZINC001159315368 1132831192 /nfs/dbraw/zinc/83/11/92/1132831192.db2.gz MZWGUCNQUKQCEU-UHFFFAOYSA-N 0 1 274.408 3.718 20 0 CHADMN Clc1cc(Nc2ccc3c[nH]nc3c2)cn2ccnc12 ZINC001174498497 1132863482 /nfs/dbraw/zinc/86/34/82/1132863482.db2.gz LLGSAPWORNSAHP-UHFFFAOYSA-N 0 1 283.722 3.608 20 0 CHADMN Fc1cc(Nc2ccc3c[nH]nc3c2)c(Cl)c(F)n1 ZINC001174497805 1132863792 /nfs/dbraw/zinc/86/37/92/1132863792.db2.gz KASIIPWSDXAHGC-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN c1n[nH]c2cc(Nc3cc(C4CCC4)no3)ccc12 ZINC001174499077 1132863932 /nfs/dbraw/zinc/86/39/32/1132863932.db2.gz LRNPJVKYPUYWTF-UHFFFAOYSA-N 0 1 254.293 3.562 20 0 CHADMN FC(F)(F)c1cc(Nc2ccc3c[nH]nc3c2)ccn1 ZINC001174499044 1132864081 /nfs/dbraw/zinc/86/40/81/1132864081.db2.gz KVLJWNFQSJJZMA-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN Clc1ccc(Nc2cccc3[nH]ncc32)c2n[nH]cc21 ZINC001159574852 1132864684 /nfs/dbraw/zinc/86/46/84/1132864684.db2.gz OFIBVVXDAUSGOU-UHFFFAOYSA-N 0 1 283.722 3.836 20 0 CHADMN c1[nH]nc2cc(Nc3ccc(-c4ccccn4)nc3)ccc12 ZINC001174498915 1132864974 /nfs/dbraw/zinc/86/49/74/1132864974.db2.gz MDAPKYFHKMJLDC-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN COc1cccc2cc(Nc3ccc4c[nH]nc4c3)cnc21 ZINC001174498925 1132865026 /nfs/dbraw/zinc/86/50/26/1132865026.db2.gz MKYLRAUYOPPGSO-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN CCOc1ncc(Cl)cc1Nc1cccc2[nH]ncc21 ZINC001159574673 1132864995 /nfs/dbraw/zinc/86/49/95/1132864995.db2.gz KNNSIWRRUQQAHW-UHFFFAOYSA-N 0 1 288.738 3.754 20 0 CHADMN CC(C)(C)c1cc(Nc2ccc3cn[nH]c3c2)on1 ZINC001174498037 1132865295 /nfs/dbraw/zinc/86/52/95/1132865295.db2.gz QSVWHDUDNGLDGU-UHFFFAOYSA-N 0 1 256.309 3.592 20 0 CHADMN CCOc1c(F)c(F)ccc1Nc1cccc2[nH]ncc21 ZINC001159574679 1132866083 /nfs/dbraw/zinc/86/60/83/1132866083.db2.gz KPLOFIFLGQRSNH-UHFFFAOYSA-N 0 1 289.285 3.983 20 0 CHADMN CCOc1cc(F)cc(Nc2ccc3c[nH]nc3c2)c1 ZINC001159662030 1132884945 /nfs/dbraw/zinc/88/49/45/1132884945.db2.gz OVYCAGFELBXXRZ-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN Cc1nc(OC(C)C)ccc1Nc1ccc2c[nH]nc2c1 ZINC001159662806 1132887934 /nfs/dbraw/zinc/88/79/34/1132887934.db2.gz FNLOQQNMLFEGDN-UHFFFAOYSA-N 0 1 282.347 3.797 20 0 CHADMN Oc1ccc(Nc2ccc3c[nH]nc3c2)c(Cl)c1 ZINC001159662942 1132888176 /nfs/dbraw/zinc/88/81/76/1132888176.db2.gz MGRODNJYYHVQKU-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN C[C@H]1CCc2cc(N)ccc2N1c1ccc2c[nH]nc2c1 ZINC001174500544 1132901941 /nfs/dbraw/zinc/90/19/41/1132901941.db2.gz RGKJZNRQZRWRLA-NSHDSACASA-N 0 1 278.359 3.618 20 0 CHADMN c1[nH]nc2cc(Nc3ccc4ccncc4c3)ccc12 ZINC001174501805 1132902182 /nfs/dbraw/zinc/90/21/82/1132902182.db2.gz HMRGCDOPBYHXAI-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN Cc1c(Cl)ccc(N)c1Nc1ccc2c[nH]nc2c1 ZINC001174501243 1132902514 /nfs/dbraw/zinc/90/25/14/1132902514.db2.gz IUTDUBIECURRHG-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN c1ncc(-c2ccccc2Nc2ccc3c[nH]nc3c2)o1 ZINC001174502084 1132903091 /nfs/dbraw/zinc/90/30/91/1132903091.db2.gz SJCTYOIIBCARLI-UHFFFAOYSA-N 0 1 276.299 3.962 20 0 CHADMN CC(=O)c1ccc(C)cc1Nc1ccc2c[nH]nc2c1 ZINC001174501178 1132903382 /nfs/dbraw/zinc/90/33/82/1132903382.db2.gz GOPCCHXZEFXRFV-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN COc1ccc(Nc2ccc3c[nH]nc3c2)c2ncccc12 ZINC001174501253 1132903440 /nfs/dbraw/zinc/90/34/40/1132903440.db2.gz IZWPPFOGPHKCKF-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccc(OC)c1N ZINC001159913710 1132924169 /nfs/dbraw/zinc/92/41/69/1132924169.db2.gz LGDAEEHJTRDDRS-UHFFFAOYSA-N 0 1 295.342 3.578 20 0 CHADMN C[C@H](F)CCNC(=O)c1cc(Cl)c2ccccc2c1O ZINC001160095850 1132938895 /nfs/dbraw/zinc/93/88/95/1132938895.db2.gz BLHJVOJAXIJCDT-VIFPVBQESA-N 0 1 295.741 3.677 20 0 CHADMN Clc1cc2nc[nH]c2nc1NCC1(c2ccccc2)CC1 ZINC001160262481 1132953294 /nfs/dbraw/zinc/95/32/94/1132953294.db2.gz KPIQHTSUAVSEFL-UHFFFAOYSA-N 0 1 298.777 3.755 20 0 CHADMN Cc1nc2cc(Nc3ccc(Cl)cc3N)ccc2[nH]1 ZINC001160267272 1132954345 /nfs/dbraw/zinc/95/43/45/1132954345.db2.gz VQBFAVKFWCASNB-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1cc(Nc2cccc(F)c2C)n(-c2ccncc2)n1 ZINC001174667127 1132955745 /nfs/dbraw/zinc/95/57/45/1132955745.db2.gz MKQQXQHSGSVXJD-UHFFFAOYSA-N 0 1 282.322 3.767 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(C)ccc1N ZINC001160336240 1132964049 /nfs/dbraw/zinc/96/40/49/1132964049.db2.gz NUTZCCINPHOQJG-UHFFFAOYSA-N 0 1 279.343 3.878 20 0 CHADMN C[C@@H]1CN(CC[C@H]2CCCC2(F)F)C[C@](C)(C(F)F)O1 ZINC001174726027 1132967168 /nfs/dbraw/zinc/96/71/68/1132967168.db2.gz RYDPULFEBDRPNK-NQBHXWOUSA-N 0 1 297.336 3.556 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CCCC[C@@H]3C)n2)cc1 ZINC001160501429 1132973759 /nfs/dbraw/zinc/97/37/59/1132973759.db2.gz LBCIZQXCORTAJD-JSGCOSHPSA-N 0 1 298.390 3.545 20 0 CHADMN COC(=O)C[C@@H](Nc1cc(C)c(C)cn1)C1CCCCC1 ZINC001160562490 1132974954 /nfs/dbraw/zinc/97/49/54/1132974954.db2.gz RKXFWOGIRAJOER-OAHLLOKOSA-N 0 1 290.407 3.622 20 0 CHADMN Cc1noc2ccc(CNc3ncc(C)cc3C)cc12 ZINC001160864770 1132985267 /nfs/dbraw/zinc/98/52/67/1132985267.db2.gz KXKBVOGSZVDWAR-UHFFFAOYSA-N 0 1 267.332 3.760 20 0 CHADMN CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(F)cc2O)CC1 ZINC001161191507 1132995847 /nfs/dbraw/zinc/99/58/47/1132995847.db2.gz KBCALGLBMGQJGK-OCCSQVGLSA-N 0 1 293.382 3.866 20 0 CHADMN COc1cc2ccnc(NC3CC4(CCC4)C3)c2cc1OC ZINC001161445630 1133001979 /nfs/dbraw/zinc/00/19/79/1133001979.db2.gz BOPJFJRRLLFHQQ-UHFFFAOYSA-N 0 1 298.386 3.997 20 0 CHADMN CC(C)(C)CNc1cc(Br)cc2cncn21 ZINC001161642067 1133013343 /nfs/dbraw/zinc/01/33/43/1133013343.db2.gz HDQHWLJNKYEYIJ-UHFFFAOYSA-N 0 1 282.185 3.555 20 0 CHADMN Cc1ccc(NCC2(CC3CC3)CCOCC2)nc1C ZINC001161648076 1133013795 /nfs/dbraw/zinc/01/37/95/1133013795.db2.gz GFQDOJHVBQMHDR-UHFFFAOYSA-N 0 1 274.408 3.707 20 0 CHADMN CCOc1cccc(CNc2nc(C)cc3ccccc32)n1 ZINC001161889982 1133038660 /nfs/dbraw/zinc/03/86/60/1133038660.db2.gz JARSPBPQNJXUJO-UHFFFAOYSA-N 0 1 293.370 3.949 20 0 CHADMN Cc1cc(N[C@@H](c2ccccc2)C2CC2)nc2[nH]cnc21 ZINC001161956548 1133042840 /nfs/dbraw/zinc/04/28/40/1133042840.db2.gz ZHPJGMXHAUJJHX-INIZCTEOSA-N 0 1 278.359 3.830 20 0 CHADMN CCc1coc(CNc2nccc3cc(C)ccc32)n1 ZINC001162135171 1133054102 /nfs/dbraw/zinc/05/41/02/1133054102.db2.gz XMFGFDWEQILGBT-UHFFFAOYSA-N 0 1 267.332 3.706 20 0 CHADMN FC1CC(Nc2ccc3c(c2)nc2cc[nH]cc3-2)C1 ZINC001162215130 1133060047 /nfs/dbraw/zinc/06/00/47/1133060047.db2.gz VGDUOVLFYFVZOE-UHFFFAOYSA-N 0 1 255.296 3.629 20 0 CHADMN CC(C)(CNc1ccc2c(n1)CCC2)CC(F)(F)F ZINC001162248861 1133064184 /nfs/dbraw/zinc/06/41/84/1133064184.db2.gz CIPBQIXBQAQDCF-UHFFFAOYSA-N 0 1 272.314 3.961 20 0 CHADMN Cc1oncc1CNc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001162274654 1133066412 /nfs/dbraw/zinc/06/64/12/1133066412.db2.gz FCYUWGNEYYZKOL-UHFFFAOYSA-N 0 1 278.315 3.625 20 0 CHADMN Cn1cccc1CNc1ccnc(C2(C(F)(F)F)CC2)c1 ZINC001162711911 1133105814 /nfs/dbraw/zinc/10/58/14/1133105814.db2.gz MOUKHBLFFCOWMV-UHFFFAOYSA-N 0 1 295.308 3.626 20 0 CHADMN Cc1cnc(N[C@H](c2cccnc2)C(C)C)c(C)c1 ZINC001163061199 1133128866 /nfs/dbraw/zinc/12/88/66/1133128866.db2.gz VRAGWOZFGXDOCR-HNNXBMFYSA-N 0 1 255.365 3.903 20 0 CHADMN c1cc2cccc(OCCNc3ccc4c(n3)CCC4)c2o1 ZINC001163075883 1133129604 /nfs/dbraw/zinc/12/96/04/1133129604.db2.gz OZOJAWHBNBNXRI-UHFFFAOYSA-N 0 1 294.354 3.807 20 0 CHADMN CC(=O)Nc1ccc([C@H](C)Nc2ccc(C)c(C)n2)cc1 ZINC001163150229 1133131549 /nfs/dbraw/zinc/13/15/49/1133131549.db2.gz ZABRONQUYPRYEA-ZDUSSCGKSA-N 0 1 283.375 3.830 20 0 CHADMN Cc1ccc(N[C@@H]2CCCc3ccncc32)nc1C ZINC001163165484 1133132240 /nfs/dbraw/zinc/13/22/40/1133132240.db2.gz GPULGPYLCGXYCR-OAHLLOKOSA-N 0 1 253.349 3.583 20 0 CHADMN CSCCCNc1cc(OCc2ccccc2)ccn1 ZINC001163868914 1133181283 /nfs/dbraw/zinc/18/12/83/1133181283.db2.gz IUTFSFSPNXMIHS-UHFFFAOYSA-N 0 1 288.416 3.826 20 0 CHADMN Cn1c(CNc2ccc3nc[nH]c3c2)cc2ccccc21 ZINC001163950100 1133186905 /nfs/dbraw/zinc/18/69/05/1133186905.db2.gz FYNCFLAIBDTPPC-UHFFFAOYSA-N 0 1 276.343 3.667 20 0 CHADMN CC(C)Oc1ccnc(N2CC[C@@H](C)C(F)(F)CC2)c1 ZINC001164115223 1133198518 /nfs/dbraw/zinc/19/85/18/1133198518.db2.gz JSILOKSWIBNLTP-GFCCVEGCSA-N 0 1 284.350 3.740 20 0 CHADMN Cc1cc(CN(CCC(F)(F)F)CC2CC2)cc(C)n1 ZINC001204390674 1133218298 /nfs/dbraw/zinc/21/82/98/1133218298.db2.gz XECYIBLCTBFQRL-UHFFFAOYSA-N 0 1 286.341 3.863 20 0 CHADMN Cc1ccc2nc(SC[C@H]3CC4(CCC4)CO3)[nH]c2c1 ZINC001164572049 1133223853 /nfs/dbraw/zinc/22/38/53/1133223853.db2.gz BWQSKZPNPYMILL-GFCCVEGCSA-N 0 1 288.416 3.923 20 0 CHADMN CCc1ccc(CN2CCc3cc(C)ccc3C2)o1 ZINC001204394774 1133227375 /nfs/dbraw/zinc/22/73/75/1133227375.db2.gz SKUUIVCGORQVPR-UHFFFAOYSA-N 0 1 255.361 3.709 20 0 CHADMN CCC(CC)N(CC)c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001165157470 1133229450 /nfs/dbraw/zinc/22/94/50/1133229450.db2.gz IVYAUASOZRBEEN-UHFFFAOYSA-N 0 1 275.440 3.691 20 0 CHADMN CC(C)Oc1ccnc(N2Cc3ccccc3[C@@H](C)C2)c1 ZINC001165217483 1133231311 /nfs/dbraw/zinc/23/13/11/1133231311.db2.gz MIFOHFFPYVXNQP-AWEZNQCLSA-N 0 1 282.387 3.993 20 0 CHADMN CC1(C)CCN(C(=O)c2cccc3[nH]cnc32)CC(C)(C)C1 ZINC001166012732 1133257075 /nfs/dbraw/zinc/25/70/75/1133257075.db2.gz LLGIULQNVORNTQ-UHFFFAOYSA-N 0 1 299.418 3.851 20 0 CHADMN CCC(CC)CCCN(C)Cc1cnc(Cl)n1C ZINC001206715346 1133266306 /nfs/dbraw/zinc/26/63/06/1133266306.db2.gz QVZJBVUUEBFAEW-UHFFFAOYSA-N 0 1 271.836 3.722 20 0 CHADMN CC(C)Oc1ccnc(N2CCC(c3ccccn3)CC2)c1 ZINC001166669567 1133280481 /nfs/dbraw/zinc/28/04/81/1133280481.db2.gz WCVFBHWBVGEVHP-UHFFFAOYSA-N 0 1 297.402 3.648 20 0 CHADMN Clc1ccc(OC2CCN(Cc3ccco3)CC2)cc1 ZINC001203273209 1133308367 /nfs/dbraw/zinc/30/83/67/1133308367.db2.gz WTKBQGGSPGZYDG-UHFFFAOYSA-N 0 1 291.778 3.976 20 0 CHADMN Fc1cccc(CNCc2ccc3scnc3c2)c1F ZINC001203300093 1133312094 /nfs/dbraw/zinc/31/20/94/1133312094.db2.gz FAZQFSVRABCJSJ-UHFFFAOYSA-N 0 1 290.338 3.864 20 0 CHADMN CC(C)(F)CNCc1cnc(-c2ccsc2)s1 ZINC001203328139 1133315374 /nfs/dbraw/zinc/31/53/74/1133315374.db2.gz QESVFKIXNQRTFZ-UHFFFAOYSA-N 0 1 270.398 3.709 20 0 CHADMN C[C@@H]1CN(Cc2c(Cl)cccc2Cl)CCC[C@H]1O ZINC001203416456 1133324789 /nfs/dbraw/zinc/32/47/89/1133324789.db2.gz LPYISNXRHLSNOP-QMTHXVAHSA-N 0 1 288.218 3.586 20 0 CHADMN C[C@H]1CCN(Cc2c(Cl)cccc2Cl)CC[C@@H]1O ZINC001203416528 1133325265 /nfs/dbraw/zinc/32/52/65/1133325265.db2.gz OHCZLYYAYHUWIM-HZMBPMFUSA-N 0 1 288.218 3.586 20 0 CHADMN CCCn1nc(C)c(CNc2nc3cc(C)ccc3[nH]2)c1C ZINC001203479310 1133332711 /nfs/dbraw/zinc/33/27/11/1133332711.db2.gz RGFPJRQCVSXVNJ-UHFFFAOYSA-N 0 1 297.406 3.707 20 0 CHADMN COc1ccc(OC)c(CN2CCc3ccccc3[C@H]2C)c1 ZINC001203518959 1133335694 /nfs/dbraw/zinc/33/56/94/1133335694.db2.gz UWRFBDQABVEKMU-CQSZACIVSA-N 0 1 297.398 3.823 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc2c(c1)CCO2 ZINC001203525703 1133338044 /nfs/dbraw/zinc/33/80/44/1133338044.db2.gz BRKRJJYVPAKLAJ-UHFFFAOYSA-N 0 1 292.338 3.922 20 0 CHADMN CCOc1ccc(CNc2ccc3c(n2)CCCC3)o1 ZINC001203566282 1133340795 /nfs/dbraw/zinc/34/07/95/1133340795.db2.gz RFFRMZNVJNHALX-UHFFFAOYSA-N 0 1 272.348 3.564 20 0 CHADMN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NCc1c(F)cccc1Br ZINC001203728044 1133360687 /nfs/dbraw/zinc/36/06/87/1133360687.db2.gz VZBSDCQOADJGID-DLVJRCHESA-N 0 1 298.199 3.722 20 0 CHADMN Cc1ccc(C)c(CN2CC[C@](C)(F)[C@@H](F)C2)c1 ZINC001203742372 1133364426 /nfs/dbraw/zinc/36/44/26/1133364426.db2.gz CQLONCUJGWOBBD-GJZGRUSLSA-N 0 1 253.336 3.575 20 0 CHADMN Cc1ccccc1O[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001203786630 1133368398 /nfs/dbraw/zinc/36/83/98/1133368398.db2.gz NERSFIKFAWDBHW-KRWDZBQOSA-N 0 1 285.362 3.787 20 0 CHADMN F[C@@H]1CCN(Cc2cccc(Cl)c2)CCC1(F)F ZINC001203796730 1133369349 /nfs/dbraw/zinc/36/93/49/1133369349.db2.gz SNYBEERNYJSPDP-GFCCVEGCSA-N 0 1 277.717 3.909 20 0 CHADMN Cc1cccc(C[NH2+]CCc2c(F)cc([O-])cc2F)c1C ZINC001203810869 1133372324 /nfs/dbraw/zinc/37/23/24/1133372324.db2.gz XNTZGXBTWWFURT-UHFFFAOYSA-N 0 1 291.341 3.620 20 0 CHADMN COc1cc(CN2CCc3ccc(C)cc3C2)cc(OC)c1 ZINC001203854689 1133376106 /nfs/dbraw/zinc/37/61/06/1133376106.db2.gz MSOYWOQIRZODMQ-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN C[C@@]1(CF)CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC001203884928 1133379762 /nfs/dbraw/zinc/37/97/62/1133379762.db2.gz GGTDTRMJEYPHLA-ZDUSSCGKSA-N 0 1 275.289 3.887 20 0 CHADMN O=C1CCC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@@H]12 ZINC001203887769 1133380558 /nfs/dbraw/zinc/38/05/58/1133380558.db2.gz OXJOOUODUHGUSX-GXTWGEPZSA-N 0 1 297.320 3.506 20 0 CHADMN Cl/C=C\CNCc1ccc(Br)cc1Cl ZINC001203954078 1133389521 /nfs/dbraw/zinc/38/95/21/1133389521.db2.gz PHFUBZDUFPPMLL-RJRFIUFISA-N 0 1 295.007 3.945 20 0 CHADMN CCOC(=O)c1cccc2nc(NCC(CC)CC)[nH]c21 ZINC001203987921 1133394703 /nfs/dbraw/zinc/39/47/03/1133394703.db2.gz WUDHBCFMDKCEBM-UHFFFAOYSA-N 0 1 289.379 3.588 20 0 CHADMN COc1ccc(CN2CCOC[C@H]2C(C)C)c2ccccc12 ZINC001203995966 1133396961 /nfs/dbraw/zinc/39/69/61/1133396961.db2.gz OPWMUHNJHPFMDO-SFHVURJKSA-N 0 1 299.414 3.705 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2ccsc2)cn1 ZINC001204042892 1133402222 /nfs/dbraw/zinc/40/22/22/1133402222.db2.gz OJFCWQWUEGYEKI-HNNXBMFYSA-N 0 1 258.390 3.789 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1ccc2c(c1)OCO2 ZINC001204054357 1133405180 /nfs/dbraw/zinc/40/51/80/1133405180.db2.gz MIZQDKBYPCKFFV-ZDUSSCGKSA-N 0 1 299.370 3.617 20 0 CHADMN CCOc1cc(CN2Cc3ccccc3[C@H](C)C2)ccc1O ZINC001204128343 1133408844 /nfs/dbraw/zinc/40/88/44/1133408844.db2.gz SOLFHQDBEAJUBM-CQSZACIVSA-N 0 1 297.398 3.910 20 0 CHADMN Cc1ccc(CN2CCO[C@@](C)(c3ccc(F)cc3)C2)cc1 ZINC001204174506 1133415554 /nfs/dbraw/zinc/41/55/54/1133415554.db2.gz UMZMBMYZIBSXIL-LJQANCHMSA-N 0 1 299.389 3.882 20 0 CHADMN CCN(Cc1c(F)cccc1F)C[C@](C)(CC)OC ZINC001204186450 1133416518 /nfs/dbraw/zinc/41/65/18/1133416518.db2.gz BDNDZQCZCUUEQR-HNNXBMFYSA-N 0 1 271.351 3.602 20 0 CHADMN Fc1ccc(CN2CC[C@@H](COCC3CC3)C2)cc1Cl ZINC001204285165 1133428278 /nfs/dbraw/zinc/42/82/78/1133428278.db2.gz NLASOJLKCYWUSV-CQSZACIVSA-N 0 1 297.801 3.728 20 0 CHADMN CSC1CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC001204283822 1133429123 /nfs/dbraw/zinc/42/91/23/1133429123.db2.gz DWGSRTDSHPLVMK-UHFFFAOYSA-N 0 1 273.804 3.807 20 0 CHADMN Cn1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c2ccccc21 ZINC001204319733 1133436869 /nfs/dbraw/zinc/43/68/69/1133436869.db2.gz AITRSTMYWRCYGE-PBHICJAKSA-N 0 1 268.404 3.943 20 0 CHADMN Cc1nc2c(s1)CN(Cc1cn(C)c3ccccc13)CC2 ZINC001204326119 1133438015 /nfs/dbraw/zinc/43/80/15/1133438015.db2.gz USXJVEHRPBNPFL-UHFFFAOYSA-N 0 1 297.427 3.502 20 0 CHADMN FC(F)(F)Oc1ccccc1CN1CCC[C@H]2C[C@H]21 ZINC001204430664 1133445399 /nfs/dbraw/zinc/44/53/99/1133445399.db2.gz HTYJEMVSRNNLOF-CMPLNLGQSA-N 0 1 271.282 3.570 20 0 CHADMN FC(F)(F)Oc1ccccc1CN1CC2CCC1CC2 ZINC001204429350 1133446187 /nfs/dbraw/zinc/44/61/87/1133446187.db2.gz WIOWAHSLZLSDBH-UHFFFAOYSA-N 0 1 285.309 3.960 20 0 CHADMN Cc1ccnn1C1CCN(Cc2ccc(Cl)s2)CC1 ZINC001204444708 1133449092 /nfs/dbraw/zinc/44/90/92/1133449092.db2.gz PLGJDYGEFYSCOB-UHFFFAOYSA-N 0 1 295.839 3.744 20 0 CHADMN COCCN(Cc1c(F)cccc1C(F)(F)F)C(C)C ZINC001204463988 1133449742 /nfs/dbraw/zinc/44/97/42/1133449742.db2.gz WWQVMNSFRFSKPT-UHFFFAOYSA-N 0 1 293.304 3.701 20 0 CHADMN Fc1cc(C(F)(F)F)ccc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001204470520 1133451097 /nfs/dbraw/zinc/45/10/97/1133451097.db2.gz YYIJJRQXFANBAN-GAFUQQFSSA-N 0 1 291.263 3.777 20 0 CHADMN Cc1c(F)cccc1CN1CCc2sccc2C1 ZINC001204508859 1133454830 /nfs/dbraw/zinc/45/48/30/1133454830.db2.gz UKEFSVGFLHZKJF-UHFFFAOYSA-N 0 1 261.365 3.754 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2ccc3ccccc3n2)C1 ZINC001204500235 1133454962 /nfs/dbraw/zinc/45/49/62/1133454962.db2.gz WLPLGCCTWYNYGC-QGZVFWFLSA-N 0 1 272.367 3.949 20 0 CHADMN Cc1c(F)cccc1CN(Cc1ccco1)C1CC1 ZINC001204510491 1133455459 /nfs/dbraw/zinc/45/54/59/1133455459.db2.gz MOKJIDBZFDXOSL-UHFFFAOYSA-N 0 1 259.324 3.892 20 0 CHADMN Cc1cnc2c(c1)CN(Cc1cc(C)cc(C)c1)CC2 ZINC001204524677 1133457817 /nfs/dbraw/zinc/45/78/17/1133457817.db2.gz OQDGLEXKTQVKLS-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN Cc1cc(CN2CCN(c3ccc(C)c(C)c3)CC2)oc1C ZINC001204531941 1133460166 /nfs/dbraw/zinc/46/01/66/1133460166.db2.gz OKIMBBXMYCWHIB-UHFFFAOYSA-N 0 1 298.430 3.835 20 0 CHADMN COc1cc(CN2CCc3ccccc3[C@@H]2C)ccc1F ZINC001204556112 1133461207 /nfs/dbraw/zinc/46/12/07/1133461207.db2.gz WZGWUOPQBZSEKB-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN C[C@@H]1CN(Cc2cc(Cl)ccc2Cl)CCC[C@@H]1O ZINC001204562766 1133463242 /nfs/dbraw/zinc/46/32/42/1133463242.db2.gz QMRLDSOMSDUVEH-YGRLFVJLSA-N 0 1 288.218 3.586 20 0 CHADMN Fc1ccc(CC[N@H+]2CCOC3(C2)CCCCCC3)cc1 ZINC001204585759 1133464315 /nfs/dbraw/zinc/46/43/15/1133464315.db2.gz YNFCOXKULUWAEX-UHFFFAOYSA-N 0 1 291.410 3.793 20 0 CHADMN COCOc1cc(C)c(-c2cccn3cncc23)c(C)c1 ZINC001204612927 1133467904 /nfs/dbraw/zinc/46/79/04/1133467904.db2.gz YGDDPWXYWZEUDP-UHFFFAOYSA-N 0 1 282.343 3.601 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2cn(C3CC3)cn2)c1 ZINC001204658364 1133472344 /nfs/dbraw/zinc/47/23/44/1133472344.db2.gz TVXUWCZNCPTBNE-GOSISDBHSA-N 0 1 281.403 3.864 20 0 CHADMN CC[C@@](C)(C[N@@H+](C)[C@H](C)c1cc(F)ccc1F)OC ZINC001204730754 1133479440 /nfs/dbraw/zinc/47/94/40/1133479440.db2.gz VVHVSEOPYWTDDK-ABAIWWIYSA-N 0 1 271.351 3.773 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@@H+](Cc2ccc([O-])c(F)c2)C1 ZINC001204777686 1133484404 /nfs/dbraw/zinc/48/44/04/1133484404.db2.gz XJXZHMCVQGNQHO-NEPJUHHUSA-N 0 1 251.345 3.542 20 0 CHADMN C[C@@H]1N(Cc2ccc3c(c2)CCCC3)CCOC1(C)C ZINC001204777212 1133484271 /nfs/dbraw/zinc/48/42/71/1133484271.db2.gz VDRFYRUGXZPIPB-AWEZNQCLSA-N 0 1 273.420 3.565 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@H+](Cc2ccc([O-])c(F)c2)C1 ZINC001204777686 1133484401 /nfs/dbraw/zinc/48/44/01/1133484401.db2.gz XJXZHMCVQGNQHO-NEPJUHHUSA-N 0 1 251.345 3.542 20 0 CHADMN F[C@H]1CCC2(C1)CCN(Cc1nc3ccccc3[nH]1)CC2 ZINC001204794451 1133486086 /nfs/dbraw/zinc/48/60/86/1133486086.db2.gz ZHELSGPEHCLJCR-ZDUSSCGKSA-N 0 1 287.382 3.667 20 0 CHADMN C[C@H]1OCCN(CCc2ccc(C(C)(C)C)cc2)[C@@H]1C ZINC001204817182 1133488476 /nfs/dbraw/zinc/48/84/76/1133488476.db2.gz RDWAQCHCGBHWLV-HUUCEWRRSA-N 0 1 275.436 3.636 20 0 CHADMN CC(C)C[C@@H](C)CN1CCO[C@H](c2ccc(F)cc2)C1 ZINC001204834104 1133490260 /nfs/dbraw/zinc/49/02/60/1133490260.db2.gz URGXFOCCUQQTKL-PBHICJAKSA-N 0 1 279.399 3.881 20 0 CHADMN CCn1cnc(Cl)c1CN1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC001204891435 1133496349 /nfs/dbraw/zinc/49/63/49/1133496349.db2.gz RVAVHRKDWJTWSD-BFHYXJOUSA-N 0 1 295.858 3.957 20 0 CHADMN CN[C@H](c1nc(-c2ccc3occc3c2)no1)C(C)(C)C ZINC001204889022 1133496420 /nfs/dbraw/zinc/49/64/20/1133496420.db2.gz OFVNHKPMKHLPEZ-CYBMUJFWSA-N 0 1 285.347 3.789 20 0 CHADMN CN[C@H](c1nc(-c2cc(F)c(C)c(F)c2)no1)C(C)(C)C ZINC001204895838 1133497476 /nfs/dbraw/zinc/49/74/76/1133497476.db2.gz VNWXOFUYNGXDFX-GFCCVEGCSA-N 0 1 295.333 3.630 20 0 CHADMN CCc1[nH]nc(Cl)c1CN(C)[C@H]1CCC[C@@H](C)C1 ZINC001205076677 1133524548 /nfs/dbraw/zinc/52/45/48/1133524548.db2.gz DVOQYKIIEITNKX-MNOVXSKESA-N 0 1 269.820 3.636 20 0 CHADMN Fc1cc(F)c(-c2ccc3cncn3c2)c(F)c1F ZINC001205173073 1133540821 /nfs/dbraw/zinc/54/08/21/1133540821.db2.gz BAPADBPWCOLZSJ-UHFFFAOYSA-N 0 1 266.197 3.558 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3scnc3c2)o1 ZINC001205184293 1133541508 /nfs/dbraw/zinc/54/15/08/1133541508.db2.gz DQTJPNNYOJFUBO-UHFFFAOYSA-N 0 1 272.373 3.830 20 0 CHADMN CCC[C@H](CN(Cc1ccccc1F)C1CC1)OC ZINC001205225507 1133547802 /nfs/dbraw/zinc/54/78/02/1133547802.db2.gz XAMMCGIHCKDNDV-OAHLLOKOSA-N 0 1 265.372 3.605 20 0 CHADMN C[C@H]1CCN(Cc2cc(O)cc(Cl)c2)CC1(C)C ZINC001205298418 1133556814 /nfs/dbraw/zinc/55/68/14/1133556814.db2.gz CATQFYQLBCGKKS-NSHDSACASA-N 0 1 267.800 3.914 20 0 CHADMN CC(C)CC[C@@H](C)NCc1nc(-c2ccccc2)no1 ZINC001205298522 1133557184 /nfs/dbraw/zinc/55/71/84/1133557184.db2.gz DOTMWWVBHJEWFU-CYBMUJFWSA-N 0 1 273.380 3.651 20 0 CHADMN CCSCCO[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001205350070 1133566229 /nfs/dbraw/zinc/56/62/29/1133566229.db2.gz SWUCXGFHTAOJAF-OAHLLOKOSA-N 0 1 297.439 3.560 20 0 CHADMN CN(C)Cc1cc(NC[C@]2(C)CCCCO2)ccc1Cl ZINC001205547569 1133587358 /nfs/dbraw/zinc/58/73/58/1133587358.db2.gz DXEJZIHETNIAKT-INIZCTEOSA-N 0 1 296.842 3.773 20 0 CHADMN FCCNC/C=C/c1ccc(OCc2ccccc2)cc1 ZINC001205588912 1133591254 /nfs/dbraw/zinc/59/12/54/1133591254.db2.gz FFBKQDHWOIFSSK-QPJJXVBHSA-N 0 1 285.362 3.838 20 0 CHADMN C[C@@H](N[C@H]1CCC[C@@H](C)CC1)c1nc(C(C)(C)C)no1 ZINC001205651033 1133598996 /nfs/dbraw/zinc/59/89/96/1133598996.db2.gz ZAUNVRDTFAFCBJ-UPJWGTAASA-N 0 1 279.428 3.987 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1snc(OC)c1Cl ZINC001205703119 1133605152 /nfs/dbraw/zinc/60/51/52/1133605152.db2.gz WLJTYAGUTNQRQU-IUCAKERBSA-N 0 1 274.817 3.568 20 0 CHADMN COc1ccc(CN2CCC=C(c3ccco3)C2)c(F)c1 ZINC001205751711 1133609613 /nfs/dbraw/zinc/60/96/13/1133609613.db2.gz CJXAVNSUZMKBBI-UHFFFAOYSA-N 0 1 287.334 3.717 20 0 CHADMN c1ccc2c(c1)CC[C@@H]2CNc1ccc2c(n1)CCC2 ZINC001205849352 1133621957 /nfs/dbraw/zinc/62/19/57/1133621957.db2.gz PAQRGGJNGRXAOE-OAHLLOKOSA-N 0 1 264.372 3.712 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001206016223 1133642050 /nfs/dbraw/zinc/64/20/50/1133642050.db2.gz OYQDGVHBXALXNY-QWHCGFSZSA-N 0 1 286.350 3.853 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1cnc(-c2ccccc2F)s1 ZINC001206014349 1133642590 /nfs/dbraw/zinc/64/25/90/1133642590.db2.gz DRANICJYXIYLDK-WDEREUQCSA-N 0 1 276.380 3.789 20 0 CHADMN C[C@H]1CN(Cc2cc(Cl)ccc2F)C2(CC2)C1 ZINC001206034917 1133646641 /nfs/dbraw/zinc/64/66/41/1133646641.db2.gz MFRCYRUIPFCUAE-SNVBAGLBSA-N 0 1 253.748 3.854 20 0 CHADMN CCCCOc1ccc(-c2cc3[nH]cnc3cn2)c(F)c1 ZINC001206105184 1133657745 /nfs/dbraw/zinc/65/77/45/1133657745.db2.gz DTTCFJYQMXEWBW-UHFFFAOYSA-N 0 1 285.322 3.943 20 0 CHADMN COc1ccc(CNCc2ccc3sccc3c2)nc1 ZINC001206127331 1133660930 /nfs/dbraw/zinc/66/09/30/1133660930.db2.gz FIIYEPIABGKVKB-UHFFFAOYSA-N 0 1 284.384 3.595 20 0 CHADMN Cc1ccnc(N[C@@H]2CC[C@@H]3COCC[C@H]3C2)c1C1CC1 ZINC001206591898 1133724101 /nfs/dbraw/zinc/72/41/01/1133724101.db2.gz WKSVBKKDYSSECM-ARFHVFGLSA-N 0 1 286.419 3.885 20 0 CHADMN COc1cc(C)ccc1CN(C)Cc1ccc(F)cc1 ZINC001206734847 1133737379 /nfs/dbraw/zinc/73/73/79/1133737379.db2.gz IDTYAAOKDANAJW-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN Oc1cc(F)c(-c2nccc3ccsc32)cc1F ZINC001206755054 1133741892 /nfs/dbraw/zinc/74/18/92/1133741892.db2.gz FFNVALIYIGXTGT-UHFFFAOYSA-N 0 1 263.268 3.947 20 0 CHADMN Cc1nc2ccccc2nc1-c1cc(F)c(O)cc1F ZINC001206756275 1133742607 /nfs/dbraw/zinc/74/26/07/1133742607.db2.gz ZDDCIYUVGYLTFP-UHFFFAOYSA-N 0 1 272.254 3.589 20 0 CHADMN Cc1csc2nc(-c3cc(F)c(O)cc3F)ncc12 ZINC001206762491 1133744430 /nfs/dbraw/zinc/74/44/30/1133744430.db2.gz YKKXKJTZPWMNOO-UHFFFAOYSA-N 0 1 278.283 3.651 20 0 CHADMN Oc1ccc(F)c(CN(CCC2CC2)CC2CC2)c1F ZINC001206769756 1133746320 /nfs/dbraw/zinc/74/63/20/1133746320.db2.gz DYPRCGILBXPRGJ-UHFFFAOYSA-N 0 1 281.346 3.683 20 0 CHADMN Oc1cc(F)c(-c2ncccc2C2CCOCC2)cc1F ZINC001206775845 1133746882 /nfs/dbraw/zinc/74/68/82/1133746882.db2.gz NYBHHNQOLYSQGN-UHFFFAOYSA-N 0 1 291.297 3.626 20 0 CHADMN CC[C@@H](C)N(C)Cc1cc(-c2ccc(F)cc2)on1 ZINC001206833194 1133753947 /nfs/dbraw/zinc/75/39/47/1133753947.db2.gz XZACZBDKVXFDBF-LLVKDONJSA-N 0 1 262.328 3.711 20 0 CHADMN CCN(Cc1cc(-c2ccc(F)cc2)on1)C(C)C ZINC001206833273 1133754053 /nfs/dbraw/zinc/75/40/53/1133754053.db2.gz HGHMYUUSJYTPDL-UHFFFAOYSA-N 0 1 262.328 3.711 20 0 CHADMN Cc1ccnc(CN2CCC[C@H](Oc3ccccc3C)C2)c1 ZINC001206855173 1133756581 /nfs/dbraw/zinc/75/65/81/1133756581.db2.gz QCXIDLQKTOJWNK-SFHVURJKSA-N 0 1 296.414 3.742 20 0 CHADMN O=c1[nH]cccc1CN1CCC[C@H]1c1ccc(Cl)s1 ZINC001207005370 1133760207 /nfs/dbraw/zinc/76/02/07/1133760207.db2.gz KJRBSLIPPMYGHS-NSHDSACASA-N 0 1 294.807 3.839 20 0 CHADMN Fc1ccc(C[N@@H+](Cc2ccccc2)C2CCC2)nc1 ZINC001207044116 1133761200 /nfs/dbraw/zinc/76/12/00/1133761200.db2.gz SRJSQJJWNBPEMI-UHFFFAOYSA-N 0 1 270.351 3.775 20 0 CHADMN Fc1ccc(CN(Cc2ccccc2)C2CCC2)nc1 ZINC001207044116 1133761205 /nfs/dbraw/zinc/76/12/05/1133761205.db2.gz SRJSQJJWNBPEMI-UHFFFAOYSA-N 0 1 270.351 3.775 20 0 CHADMN C[N@@H+](CCc1ccc(Cl)cc1)Cc1ncccc1F ZINC001207034113 1133762227 /nfs/dbraw/zinc/76/22/27/1133762227.db2.gz KYQPGASDLVHRKH-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN CN(CCc1ccc(Cl)cc1)Cc1ncccc1F ZINC001207034113 1133762232 /nfs/dbraw/zinc/76/22/32/1133762232.db2.gz KYQPGASDLVHRKH-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN CCc1nccc(CN(Cc2cccc(C)c2C)C2CC2)n1 ZINC001207089504 1133766011 /nfs/dbraw/zinc/76/60/11/1133766011.db2.gz PUCGHXZSRZBQIL-UHFFFAOYSA-N 0 1 295.430 3.820 20 0 CHADMN CC(C)CN(C)Cc1c(F)cccc1OC(F)F ZINC001207109281 1133767841 /nfs/dbraw/zinc/76/78/41/1133767841.db2.gz XAZJCIKGCOMOAK-UHFFFAOYSA-N 0 1 261.287 3.515 20 0 CHADMN CC[C@H](C)N(C)Cc1c(F)cccc1OC(F)F ZINC001207115459 1133768646 /nfs/dbraw/zinc/76/86/46/1133768646.db2.gz UGPNDHCYHVNNFG-VIFPVBQESA-N 0 1 261.287 3.657 20 0 CHADMN CC(C)n1nccc1CN1CCC(c2cccs2)CC1 ZINC001207173520 1133773017 /nfs/dbraw/zinc/77/30/17/1133773017.db2.gz HGTKQTAOCHJPHD-UHFFFAOYSA-N 0 1 289.448 3.905 20 0 CHADMN CSc1ccccc1[C@@H]1CCCN1Cc1ccnc(C)n1 ZINC001207168487 1133773143 /nfs/dbraw/zinc/77/31/43/1133773143.db2.gz JMIGYHARIZLBRF-INIZCTEOSA-N 0 1 299.443 3.844 20 0 CHADMN C[C@H]1CCC[C@@H](C2CN(Cc3cnc(C4CC4)o3)C2)C1 ZINC001207235452 1133781568 /nfs/dbraw/zinc/78/15/68/1133781568.db2.gz WXVGGVPRQHUWQC-GXTWGEPZSA-N 0 1 274.408 3.810 20 0 CHADMN CN(CC(C)(C)Sc1ccc(Cl)cc1)C1COC1 ZINC001207295840 1133790570 /nfs/dbraw/zinc/79/05/70/1133790570.db2.gz FHHQWCOFJGEVAV-UHFFFAOYSA-N 0 1 285.840 3.541 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1CCc1c(Cl)ncnc1Cl ZINC001207323944 1133791588 /nfs/dbraw/zinc/79/15/88/1133791588.db2.gz KDNZPPCBTODCNS-NXEZZACHSA-N 0 1 288.222 3.589 20 0 CHADMN C[C@@H]1c2cccn2CCN1CCCc1ccccc1F ZINC001207494313 1133808840 /nfs/dbraw/zinc/80/88/40/1133808840.db2.gz BURANTCDXFMJKD-CQSZACIVSA-N 0 1 272.367 3.637 20 0 CHADMN Cc1cccc(CCN2CCOC[C@@H]2c2ccccc2)c1 ZINC001207532786 1133816342 /nfs/dbraw/zinc/81/63/42/1133816342.db2.gz GQCHLRRIPYYRRT-LJQANCHMSA-N 0 1 281.399 3.611 20 0 CHADMN Cc1cccc(CCN2CCO[C@@H](c3ccccc3)C2)c1 ZINC001207537271 1133818066 /nfs/dbraw/zinc/81/80/66/1133818066.db2.gz ZQAIACUHIORLJS-LJQANCHMSA-N 0 1 281.399 3.611 20 0 CHADMN F[C@@H]1COc2ccccc2[C@H]1NC[C@H]1CCc2ccccc21 ZINC001207535782 1133818309 /nfs/dbraw/zinc/81/83/09/1133818309.db2.gz MPIFGNSZNYUULI-LSBZLQRGSA-N 0 1 297.373 3.778 20 0 CHADMN C[C@@H]1CCN(CCCc2c(F)cccc2Cl)CCO1 ZINC001207623018 1133833313 /nfs/dbraw/zinc/83/33/13/1133833313.db2.gz RLAWTYPOWNTPDU-GFCCVEGCSA-N 0 1 285.790 3.523 20 0 CHADMN Fc1ccc(F)c([C@@H]2CCCN2C[C@@H]2CCCCO2)c1 ZINC001207957744 1133870241 /nfs/dbraw/zinc/87/02/41/1133870241.db2.gz YVXOUAYFMUMQBA-BBRMVZONSA-N 0 1 281.346 3.671 20 0 CHADMN Fc1cc(F)cc([C@H]2CCCN2C[C@@H]2CCCCO2)c1 ZINC001207965855 1133870559 /nfs/dbraw/zinc/87/05/59/1133870559.db2.gz YWSOAGZHOQLZDB-JKSUJKDBSA-N 0 1 281.346 3.671 20 0 CHADMN c1nc(C2CC2)nc2c1CCN(CCCC1CCCC1)C2 ZINC001208093803 1133876571 /nfs/dbraw/zinc/87/65/71/1133876571.db2.gz BEBKLYGVXZMWEL-UHFFFAOYSA-N 0 1 285.435 3.683 20 0 CHADMN COc1cc2c(cc1OC)CN(CCCC1CCCC1)C2 ZINC001208093152 1133876799 /nfs/dbraw/zinc/87/67/99/1133876799.db2.gz MVOBHFGAVBIMKL-UHFFFAOYSA-N 0 1 289.419 3.990 20 0 CHADMN CC/C=C\CCCN1CCO[C@H](c2ccccc2)C1 ZINC001208135788 1133882259 /nfs/dbraw/zinc/88/22/59/1133882259.db2.gz JORZHFXVNHUMFX-LIMHQNJXSA-N 0 1 259.393 3.806 20 0 CHADMN CC/C=C\CCCN1CCc2ccc(C(C)=O)cc2C1 ZINC001208138658 1133884289 /nfs/dbraw/zinc/88/42/89/1133884289.db2.gz QPLOEKVTAUQPDS-PLNGDYQASA-N 0 1 271.404 3.994 20 0 CHADMN CC(=O)[C@H]1CCCCN1CC[C@@H](C)c1ccc(C)o1 ZINC001208171035 1133897552 /nfs/dbraw/zinc/89/75/52/1133897552.db2.gz YKDSQSCVEWBSOH-IUODEOHRSA-N 0 1 263.381 3.525 20 0 CHADMN CC1=C[C@@H](C)[C@@H](CN(C)[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC001208183206 1133900257 /nfs/dbraw/zinc/90/02/57/1133900257.db2.gz XNDTWICUDRRWOU-QLFBSQMISA-N 0 1 281.440 3.641 20 0 CHADMN C[C@@H](CCN1CC2(C1)CCCCO2)CC(C)(C)C ZINC001208656372 1133922512 /nfs/dbraw/zinc/92/25/12/1133922512.db2.gz VRTWLYAPDNXFTL-AWEZNQCLSA-N 0 1 253.430 3.704 20 0 CHADMN Cc1cccc2c1C[N@@H+](C[C@H](C)OCc1ccccc1)C2 ZINC001208701222 1133930333 /nfs/dbraw/zinc/93/03/33/1133930333.db2.gz RNOHOVLQUWAHCE-INIZCTEOSA-N 0 1 281.399 3.916 20 0 CHADMN CO[C@@H]1CN(C[C@H](C)c2cccc3ccccc32)C[C@@H]1F ZINC001208707266 1133932654 /nfs/dbraw/zinc/93/26/54/1133932654.db2.gz RIZTYTPYKZMJGT-DOPJRALCSA-N 0 1 287.378 3.612 20 0 CHADMN C[C@@H](CN1CCC(=O)[C@H](F)CC1)c1cccc2ccccc21 ZINC001208703729 1133933430 /nfs/dbraw/zinc/93/34/30/1133933430.db2.gz FSANSPMINCNQNI-KBXCAEBGSA-N 0 1 299.389 3.946 20 0 CHADMN C[C@@H](CN1C[C@H]2CC[C@@H]1CO2)c1cccc2ccccc21 ZINC001208709933 1133934665 /nfs/dbraw/zinc/93/46/65/1133934665.db2.gz ALKQQKYGDUNTCW-USXIJHARSA-N 0 1 281.399 3.807 20 0 CHADMN C[C@H](CN1CCn2cncc2C1)c1cccc2ccccc21 ZINC001208711746 1133935155 /nfs/dbraw/zinc/93/51/55/1133935155.db2.gz XSNIKTPSXMOTQY-OAHLLOKOSA-N 0 1 291.398 3.656 20 0 CHADMN CC/C=C\CC[N@H+]1CCc2ncc(Br)cc2C1 ZINC001208728542 1133936635 /nfs/dbraw/zinc/93/66/35/1133936635.db2.gz DYIFTIKWBXTUGS-ARJAWSKDSA-N 0 1 295.224 3.559 20 0 CHADMN O=C1CCN(CCc2ccc(Cl)cc2)[C@H]2CCCC[C@@H]12 ZINC001208737011 1133939633 /nfs/dbraw/zinc/93/96/33/1133939633.db2.gz PAFCENZZNLYRGZ-CVEARBPZSA-N 0 1 291.822 3.716 20 0 CHADMN Fc1ccc(CCCN2CCO[C@@H](c3ccccc3)C2)cc1 ZINC001208768390 1133941172 /nfs/dbraw/zinc/94/11/72/1133941172.db2.gz AOKFYIQQHYIOCI-LJQANCHMSA-N 0 1 299.389 3.832 20 0 CHADMN CC(C)Oc1ncccc1CC[N@H+]1CC[C@@H]1c1ccccc1 ZINC001208800117 1133946223 /nfs/dbraw/zinc/94/62/23/1133946223.db2.gz ICTPHPTZVLTZDX-GOSISDBHSA-N 0 1 296.414 3.858 20 0 CHADMN CC(C)Oc1ncccc1CC[N@H+]1CC[C@H]1c1ccccc1 ZINC001208800118 1133946723 /nfs/dbraw/zinc/94/67/23/1133946723.db2.gz ICTPHPTZVLTZDX-SFHVURJKSA-N 0 1 296.414 3.858 20 0 CHADMN C[C@@H]1COCCN1CCCc1ccc(Cl)c(Cl)c1 ZINC001208833397 1133947890 /nfs/dbraw/zinc/94/78/90/1133947890.db2.gz MJCZCDQSSOFOIV-LLVKDONJSA-N 0 1 288.218 3.647 20 0 CHADMN F[C@@H]1CCN(CCCc2ccccc2C(F)(F)F)C1 ZINC001208827097 1133948902 /nfs/dbraw/zinc/94/89/02/1133948902.db2.gz LGTDTKGJMVLFSM-GFCCVEGCSA-N 0 1 275.289 3.682 20 0 CHADMN Fc1ccc([C@@H]2CSCCN2C[C@H]2CCC=CO2)cc1 ZINC001208880539 1133957173 /nfs/dbraw/zinc/95/71/73/1133957173.db2.gz NIMQAYFKDYOIHQ-CVEARBPZSA-N 0 1 293.407 3.608 20 0 CHADMN Clc1ccc(CCN2CCn3cccc3C2)c(Cl)c1 ZINC001209080399 1133972825 /nfs/dbraw/zinc/97/28/25/1133972825.db2.gz CCQZDYQIRNJTIX-UHFFFAOYSA-N 0 1 295.213 3.853 20 0 CHADMN Fc1ccc(CCN2CC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC001209112807 1133977953 /nfs/dbraw/zinc/97/79/53/1133977953.db2.gz NWXVIMOZSGDBGW-JTQLQIEISA-N 0 1 295.707 3.906 20 0 CHADMN CC[N@@H+](CCc1cc(F)c(F)cc1F)Cc1ccccn1 ZINC001209253272 1133995863 /nfs/dbraw/zinc/99/58/63/1133995863.db2.gz RBNAMWRBIPHMOB-UHFFFAOYSA-N 0 1 294.320 3.564 20 0 CHADMN C[C@H]1CC[N@@H+](CCc2cc(F)c(F)cc2F)[C@@H](C)C1 ZINC001209254424 1133996742 /nfs/dbraw/zinc/99/67/42/1133996742.db2.gz IZYHYQZCWMHQKI-QWRGUYRKSA-N 0 1 271.326 3.767 20 0 CHADMN FC(F)(F)c1ccccc1CCN1CC2(CCC2)C1 ZINC001209276385 1134000035 /nfs/dbraw/zinc/00/00/35/1134000035.db2.gz ACPHAOKQUVXCBC-UHFFFAOYSA-N 0 1 269.310 3.734 20 0 CHADMN CCCN(CCc1ccccn1)Cc1cnc(Cl)s1 ZINC001209474188 1134026569 /nfs/dbraw/zinc/02/65/69/1134026569.db2.gz XCIWXWUKWWVSCC-UHFFFAOYSA-N 0 1 295.839 3.646 20 0 CHADMN Cc1ccc2[nH]cc(CN(C)Cc3ccccn3)c2c1 ZINC001209490221 1134027187 /nfs/dbraw/zinc/02/71/87/1134027187.db2.gz SOVGBIIVZDMBML-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN c1coc(CN(Cc2ccc3cc[nH]c3c2)C2CC2)c1 ZINC001209513768 1134032477 /nfs/dbraw/zinc/03/24/77/1134032477.db2.gz BCWDCWNLGMGSHQ-UHFFFAOYSA-N 0 1 266.344 3.926 20 0 CHADMN C[C@H]1C(=O)CCN(Cc2ccc3cc[nH]c3c2)C12CCCC2 ZINC001209517213 1134033729 /nfs/dbraw/zinc/03/37/29/1134033729.db2.gz BDMMWFNZYOBSSY-AWEZNQCLSA-N 0 1 296.414 3.892 20 0 CHADMN Cn1nc(CN2CCC[C@H]3CCCC[C@@H]32)c2ccccc21 ZINC001209582574 1134038346 /nfs/dbraw/zinc/03/83/46/1134038346.db2.gz LPRMMRVSIJXYKB-PBHICJAKSA-N 0 1 283.419 3.728 20 0 CHADMN FC(F)[C@@H]1CCCN(Cc2c[nH]c3ncc(Cl)cc23)C1 ZINC001209597673 1134040483 /nfs/dbraw/zinc/04/04/83/1134040483.db2.gz XLQYVCUPPQNXOK-SECBINFHSA-N 0 1 299.752 3.693 20 0 CHADMN COc1c(Cl)ccc(CN2C[C@@H]3[C@H](C2)C3(C)C)c1F ZINC001209700444 1134051992 /nfs/dbraw/zinc/05/19/92/1134051992.db2.gz HKRDWLLCFOOJTO-PHIMTYICSA-N 0 1 283.774 3.576 20 0 CHADMN C[C@]1(F)CCCN(Cc2[nH]nc3ccc(Cl)cc32)C1 ZINC001209751631 1134057415 /nfs/dbraw/zinc/05/74/15/1134057415.db2.gz TXISETQLBALCIJ-AWEZNQCLSA-N 0 1 281.762 3.540 20 0 CHADMN C[C@]1(F)CCCN(Cc2[nH]nc3ccc(Cl)cc32)CC1 ZINC001209751164 1134059702 /nfs/dbraw/zinc/05/97/02/1134059702.db2.gz MFMARPVLRQTBAY-HNNXBMFYSA-N 0 1 295.789 3.930 20 0 CHADMN C[C@]1(F)CCCN(Cc2n[nH]c3ccc(Cl)cc32)CC1 ZINC001209751164 1134059708 /nfs/dbraw/zinc/05/97/08/1134059708.db2.gz MFMARPVLRQTBAY-HNNXBMFYSA-N 0 1 295.789 3.930 20 0 CHADMN CSc1ccccc1[C@H]1CCCN1Cc1cnccn1 ZINC001209788145 1134064238 /nfs/dbraw/zinc/06/42/38/1134064238.db2.gz JRTTYCKBNADHGP-OAHLLOKOSA-N 0 1 285.416 3.536 20 0 CHADMN Fc1cc(C(F)(F)F)cnc1Nc1ccc2nc[nH]c2c1 ZINC001209842991 1134078473 /nfs/dbraw/zinc/07/84/73/1134078473.db2.gz SVFALYAHFNZLOD-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Clc1ccc2nncc(Nc3ccc4nc[nH]c4c3)c2c1 ZINC001209847227 1134080154 /nfs/dbraw/zinc/08/01/54/1134080154.db2.gz CIDJOVNQGYYNEI-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN c1nc2ccc(Nc3cccc4ccncc43)cc2[nH]1 ZINC001209847116 1134080459 /nfs/dbraw/zinc/08/04/59/1134080459.db2.gz OVCXGGNMOCDLEX-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN COc1ccc(Nc2ccc3nc[nH]c3c2)c(C)c1 ZINC001209847534 1134080520 /nfs/dbraw/zinc/08/05/20/1134080520.db2.gz FILUPNZLBFCBPQ-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Fc1ncc(C(F)(F)F)cc1Nc1ccc2nc[nH]c2c1 ZINC001209847774 1134080965 /nfs/dbraw/zinc/08/09/65/1134080965.db2.gz HWDSVRBPLVSGFT-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Fc1cc(Nc2ccc3nc[nH]c3c2)cc(F)c1F ZINC001209846580 1134081949 /nfs/dbraw/zinc/08/19/49/1134081949.db2.gz GLJNFHPBEFIFML-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN Cc1cc(C)c(O)c(Nc2ccc3nc[nH]c3c2)c1 ZINC001209847080 1134082364 /nfs/dbraw/zinc/08/23/64/1134082364.db2.gz NUYWGWINTBCFEA-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Oc1cccc(Cl)c1Nc1ccc2nc[nH]c2c1 ZINC001209847591 1134082495 /nfs/dbraw/zinc/08/24/95/1134082495.db2.gz SNFCDGYABIJDKE-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN CC(=O)c1ccc(Nc2ccc3nc[nH]c3c2)cc1 ZINC001209848667 1134082760 /nfs/dbraw/zinc/08/27/60/1134082760.db2.gz OFFDPKDTBJYLOU-UHFFFAOYSA-N 0 1 251.289 3.509 20 0 CHADMN Fc1cc2cccnc2c(Nc2ccc3nc[nH]c3c2)c1 ZINC001209848632 1134085291 /nfs/dbraw/zinc/08/52/91/1134085291.db2.gz NZXHUCAQRBZHDW-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN CCCOC(=O)c1ccc(Nc2ccc3nc[nH]c3c2)cc1 ZINC001209852205 1134085915 /nfs/dbraw/zinc/08/59/15/1134085915.db2.gz XJHYYTXKWGOLNF-UHFFFAOYSA-N 0 1 295.342 3.873 20 0 CHADMN COc1ccc(Nc2c(C)ncn2C)c2ccccc12 ZINC001209923827 1134102405 /nfs/dbraw/zinc/10/24/05/1134102405.db2.gz SHUAZXUYGRVBCI-UHFFFAOYSA-N 0 1 267.332 3.634 20 0 CHADMN CO[C@@H](C)c1cccc(-n2c(N)nc3ccc(C)cc32)c1 ZINC001209945488 1134106575 /nfs/dbraw/zinc/10/65/75/1134106575.db2.gz DCFNSWASZLZLKY-LBPRGKRZSA-N 0 1 281.359 3.624 20 0 CHADMN Cc1cc(N)ncc1Nc1cnc2c(Cl)cccc2c1 ZINC001209966225 1134111299 /nfs/dbraw/zinc/11/12/99/1134111299.db2.gz CRYGINANPBTYLE-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(F)cc(C(F)(F)F)c1 ZINC001209966470 1134111479 /nfs/dbraw/zinc/11/14/79/1134111479.db2.gz BCXJQKPHAKNYIW-UHFFFAOYSA-N 0 1 285.244 3.874 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(Cl)c(F)c1 ZINC001209966523 1134111593 /nfs/dbraw/zinc/11/15/93/1134111593.db2.gz DPDJXZURIXWBQN-UHFFFAOYSA-N 0 1 251.692 3.508 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(N2CCCCC2)cc1 ZINC001209966895 1134111721 /nfs/dbraw/zinc/11/17/21/1134111721.db2.gz IRBNZFQXCFTPIU-UHFFFAOYSA-N 0 1 282.391 3.706 20 0 CHADMN CC(=O)c1cc(Cl)ccc1Nc1cnc(N)cc1C ZINC001209969556 1134112357 /nfs/dbraw/zinc/11/23/57/1134112357.db2.gz LQXNHOHJBFBGKB-UHFFFAOYSA-N 0 1 275.739 3.572 20 0 CHADMN Cc1cc(NC2=CCC(F)(F)CC2)n(-c2ccncc2)n1 ZINC001210031495 1134127240 /nfs/dbraw/zinc/12/72/40/1134127240.db2.gz QOZQTZVYMNIUTB-UHFFFAOYSA-N 0 1 290.317 3.691 20 0 CHADMN CCCC=CNc1nc(Cl)cnc1Br ZINC001210058500 1134140038 /nfs/dbraw/zinc/14/00/38/1134140038.db2.gz XHLNBBWOMJKTPG-SNAWJCMRSA-N 0 1 276.565 3.618 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cnc(Cl)c(C)c1 ZINC001210100673 1134145608 /nfs/dbraw/zinc/14/56/08/1134145608.db2.gz XYVOGYLTYXVZSD-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc([C@H](C)O)c1 ZINC001210101005 1134145866 /nfs/dbraw/zinc/14/58/66/1134145866.db2.gz AGRLFFVOAZOJOE-NSHDSACASA-N 0 1 267.332 3.668 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccnc(Cl)c1F ZINC001210100353 1134145985 /nfs/dbraw/zinc/14/59/85/1134145985.db2.gz LZFFCWILKMRNRU-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2cnn(C)c2c1 ZINC001210103196 1134146561 /nfs/dbraw/zinc/14/65/61/1134146561.db2.gz VWFRAFLMVGFEEL-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1cc2[nH]ncc2cc1N(c1ccc(N)cn1)C1CCC1 ZINC001210103251 1134146759 /nfs/dbraw/zinc/14/67/59/1134146759.db2.gz WZDVITOGPFAZEG-UHFFFAOYSA-N 0 1 293.374 3.539 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2ncoc2c1 ZINC001210101646 1134146978 /nfs/dbraw/zinc/14/69/78/1134146978.db2.gz JQQKONAWDLSABC-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN CCOc1ccc(N)cc1Nc1cc2cn[nH]c2cc1C ZINC001210105401 1134147857 /nfs/dbraw/zinc/14/78/57/1134147857.db2.gz ZXXMFVLQHQGARP-UHFFFAOYSA-N 0 1 282.347 3.596 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccnn1CC1CCC1 ZINC001210103307 1134147991 /nfs/dbraw/zinc/14/79/91/1134147991.db2.gz XPMWHDRJSSTWCT-UHFFFAOYSA-N 0 1 281.363 3.612 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(C)c(O)cc1C ZINC001210103692 1134147996 /nfs/dbraw/zinc/14/79/96/1134147996.db2.gz ZNXJVQDGKQIFLZ-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN COCc1cccc(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210105299 1134148016 /nfs/dbraw/zinc/14/80/16/1134148016.db2.gz VLPGWABUBUWBDX-UHFFFAOYSA-N 0 1 267.332 3.761 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(CO)c(Cl)c1 ZINC001210105368 1134148109 /nfs/dbraw/zinc/14/81/09/1134148109.db2.gz YRQUMFTYOCJYGB-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1cccc(O)c1Nc1cc2cn[nH]c2cc1C ZINC001210105164 1134148212 /nfs/dbraw/zinc/14/82/12/1134148212.db2.gz NYCPBCRIQNSERX-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COc1cccc(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210103385 1134148249 /nfs/dbraw/zinc/14/82/49/1134148249.db2.gz ZMPYJRRCVXDLGY-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(C)c(N)cc1C ZINC001210105143 1134148380 /nfs/dbraw/zinc/14/83/80/1134148380.db2.gz MXFPIPSYXZRKLI-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(O)ccc1Cl ZINC001210105190 1134148470 /nfs/dbraw/zinc/14/84/70/1134148470.db2.gz PKTHBEZGCJLXHI-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc(F)c(F)c3C)c2c1 ZINC001210129793 1134153780 /nfs/dbraw/zinc/15/37/80/1134153780.db2.gz MLZSAUNNGSQHLF-UHFFFAOYSA-N 0 1 273.286 3.503 20 0 CHADMN Cc1ncn(-c2ccc(C)c(OCc3ccccc3)c2)c1N ZINC001210257879 1134179570 /nfs/dbraw/zinc/17/95/70/1134179570.db2.gz YKYDYJLUSAESPS-UHFFFAOYSA-N 0 1 293.370 3.650 20 0 CHADMN Cc1cc(Nc2ccnc(CO)c2)ccc1C(F)(F)F ZINC001210304850 1134189617 /nfs/dbraw/zinc/18/96/17/1134189617.db2.gz WRNCGGYXIBPSRD-UHFFFAOYSA-N 0 1 282.265 3.645 20 0 CHADMN Cn1ccnc1NC=Cc1ccccc1C(F)(F)F ZINC001210427450 1134211938 /nfs/dbraw/zinc/21/19/38/1134211938.db2.gz JZNBGNORMPWZCP-VOTSOKGWSA-N 0 1 267.254 3.522 20 0 CHADMN c1cc(Nc2ccccc2OC2CC2)n(-c2ccncc2)n1 ZINC001210839870 1134308313 /nfs/dbraw/zinc/30/83/13/1134308313.db2.gz PXSQMNOEELQKEO-UHFFFAOYSA-N 0 1 292.342 3.552 20 0 CHADMN Cc1conc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210923426 1134327795 /nfs/dbraw/zinc/32/77/95/1134327795.db2.gz SWYUDDWRSOEURC-UHFFFAOYSA-N 0 1 259.092 3.739 20 0 CHADMN Oc1c(Cl)cc(Nc2noc3cccnc32)cc1Cl ZINC001210923010 1134328648 /nfs/dbraw/zinc/32/86/48/1134328648.db2.gz HZWBWMFUXYONLM-UHFFFAOYSA-N 0 1 296.113 3.979 20 0 CHADMN Oc1cc(F)cnc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210925705 1134329583 /nfs/dbraw/zinc/32/95/83/1134329583.db2.gz AUNWNUMFGOFFST-UHFFFAOYSA-N 0 1 289.093 3.682 20 0 CHADMN [O-]c1c(Cl)cc(Nc2cc[nH+]c3c2CCC3)cc1Cl ZINC001210926789 1134330115 /nfs/dbraw/zinc/33/01/15/1134330115.db2.gz ODSQARLMHCVFIE-UHFFFAOYSA-N 0 1 295.169 3.748 20 0 CHADMN COc1cc(Nc2ccc3c(c2)C(=O)CCC3)ncc1C ZINC001210933668 1134331183 /nfs/dbraw/zinc/33/11/83/1134331183.db2.gz IFTMONRUEQIZLM-UHFFFAOYSA-N 0 1 282.343 3.661 20 0 CHADMN CC(=Nc1cnc(C(F)(F)F)cc1N)c1ccccc1 ZINC001210981917 1134341081 /nfs/dbraw/zinc/34/10/81/1134341081.db2.gz DWUSUQDNYAIYFD-UHFFFAOYSA-N 0 1 279.265 3.765 20 0 CHADMN C=C(Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1 ZINC001210985806 1134343149 /nfs/dbraw/zinc/34/31/49/1134343149.db2.gz XXCJRDNWIUMQAE-UHFFFAOYSA-N 0 1 293.414 3.521 20 0 CHADMN Cn1cncc1Nc1ccc(OCC2CCCC2)cc1 ZINC001211249147 1134397922 /nfs/dbraw/zinc/39/79/22/1134397922.db2.gz LABFYYVJNLLGQE-UHFFFAOYSA-N 0 1 271.364 3.733 20 0 CHADMN Cn1cncc1Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001211249111 1134397977 /nfs/dbraw/zinc/39/79/77/1134397977.db2.gz KFOLTHYEXZDGNY-UHFFFAOYSA-N 0 1 275.661 3.836 20 0 CHADMN Cn1cncc1Nc1ccc(Br)c(Cl)c1 ZINC001211248683 1134398281 /nfs/dbraw/zinc/39/82/81/1134398281.db2.gz BEBWKZNRRMKWPK-UHFFFAOYSA-N 0 1 286.560 3.580 20 0 CHADMN COc1cnccc1Nc1ccc(C(F)(F)F)cc1C ZINC001211260763 1134399836 /nfs/dbraw/zinc/39/98/36/1134399836.db2.gz RHKXYSVFHMXJHM-UHFFFAOYSA-N 0 1 282.265 3.583 20 0 CHADMN Cn1cncc1Nc1cc(F)ccc1OC1CCCC1 ZINC001211252704 1134400085 /nfs/dbraw/zinc/40/00/85/1134400085.db2.gz VWWYAHYNHXRLPR-UHFFFAOYSA-N 0 1 275.327 3.624 20 0 CHADMN Cc1cc(Nc2cc3ccccc3[nH]2)n(-c2ccncc2)n1 ZINC001211307515 1134407667 /nfs/dbraw/zinc/40/76/67/1134407667.db2.gz BEYDXAZNCSQDPM-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Oc1cc(F)c(-c2cc(F)c(F)c(F)c2F)cc1F ZINC001211338569 1134410249 /nfs/dbraw/zinc/41/02/49/1134410249.db2.gz FUGUHRWKXSYLTA-UHFFFAOYSA-N 0 1 278.151 3.894 20 0 CHADMN COc1c(F)ccc(-c2cc(F)c(O)cc2F)c1F ZINC001211353387 1134412274 /nfs/dbraw/zinc/41/22/74/1134412274.db2.gz VRHIZXPWHVFENA-UHFFFAOYSA-N 0 1 272.197 3.624 20 0 CHADMN Cc1nc2cc(N[C@H]3CCCc4cccnc43)ccc2[nH]1 ZINC000091660984 1134415729 /nfs/dbraw/zinc/41/57/29/1134415729.db2.gz HSSZTTPWOBUDHL-HNNXBMFYSA-N 0 1 278.359 3.756 20 0 CHADMN CNc1ccnc(Cl)c1Nc1ccc2nc(C)[nH]c2c1 ZINC001213071476 1134419161 /nfs/dbraw/zinc/41/91/61/1134419161.db2.gz UHVXBTKJPXGORH-UHFFFAOYSA-N 0 1 287.754 3.705 20 0 CHADMN Cc1nc2ccc(Nc3nc4ccc(F)cc4o3)cc2[nH]1 ZINC001213070421 1134419421 /nfs/dbraw/zinc/41/94/21/1134419421.db2.gz PHJRQQJOAXKSFK-UHFFFAOYSA-N 0 1 282.278 3.895 20 0 CHADMN Cc1nc2ccc(Nc3ccnn3-c3ccccc3)cc2[nH]1 ZINC001213071171 1134419706 /nfs/dbraw/zinc/41/97/06/1134419706.db2.gz CRENEDLHUMDUMR-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1nc2cc(Nc3ccc4c(c3)N(C)CCC4)ccc2[nH]1 ZINC001213074105 1134420126 /nfs/dbraw/zinc/42/01/26/1134420126.db2.gz DBZHCNIAEVLRMF-UHFFFAOYSA-N 0 1 292.386 3.997 20 0 CHADMN Cc1nc2cc(Nc3ccc([C@H](C)O)cc3)ccc2[nH]1 ZINC001213074230 1134421080 /nfs/dbraw/zinc/42/10/80/1134421080.db2.gz KKTYELVPJHYOPX-JTQLQIEISA-N 0 1 267.332 3.668 20 0 CHADMN Cc1nc2cc(Nc3cncc(OC(F)F)c3)ccc2[nH]1 ZINC001213073625 1134421913 /nfs/dbraw/zinc/42/19/13/1134421913.db2.gz UDNCGMMTNVEEBV-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN COC(=O)c1cccc(Nc2ccc3[nH]c(C)nc3c2)c1F ZINC001213076480 1134423038 /nfs/dbraw/zinc/42/30/38/1134423038.db2.gz TXWLVVLARHZUAS-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN COC(=O)c1cccc(Nc2ccc3nc(C)[nH]c3c2)c1F ZINC001213076480 1134423040 /nfs/dbraw/zinc/42/30/40/1134423040.db2.gz TXWLVVLARHZUAS-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN CC(C)(C)c1cc(Nc2nc(F)c(F)cc2F)ccn1 ZINC001213162543 1134432908 /nfs/dbraw/zinc/43/29/08/1134432908.db2.gz FXYIBCZFXYCSSD-UHFFFAOYSA-N 0 1 281.281 3.935 20 0 CHADMN CC(C)(C)c1nc(Nc2ccnc(C(C)(C)C)c2)no1 ZINC001213160916 1134433394 /nfs/dbraw/zinc/43/33/94/1134433394.db2.gz RZKVCPUWVNGKDJ-UHFFFAOYSA-N 0 1 274.368 3.803 20 0 CHADMN CC(C)(C)c1cc(Nc2ncc(F)cc2F)ccn1 ZINC001213160675 1134433418 /nfs/dbraw/zinc/43/34/18/1134433418.db2.gz FBXCAKFFDROLMZ-UHFFFAOYSA-N 0 1 263.291 3.796 20 0 CHADMN Cc1c(Cl)cccc1-c1noc(-c2cc(Cl)[nH]n2)n1 ZINC001213498312 1134455539 /nfs/dbraw/zinc/45/55/39/1134455539.db2.gz HRSJVFCKCKOSHC-UHFFFAOYSA-N 0 1 295.129 3.742 20 0 CHADMN CCOc1cc(-n2c(N)nc3ccc(C)cc32)ccc1C ZINC001214321196 1134528838 /nfs/dbraw/zinc/52/88/38/1134528838.db2.gz UIHDLCLBWUYIRE-UHFFFAOYSA-N 0 1 281.359 3.623 20 0 CHADMN CSc1cc(Nc2nnco2)cc(C(F)(F)F)c1 ZINC001214499196 1134545997 /nfs/dbraw/zinc/54/59/97/1134545997.db2.gz VRUZEOPECZPLNF-UHFFFAOYSA-N 0 1 275.255 3.554 20 0 CHADMN Oc1c(Cl)ccc(Nc2cc(F)nc(F)c2)c1F ZINC001214796111 1134573417 /nfs/dbraw/zinc/57/34/17/1134573417.db2.gz GYMMFTOTTCPOQU-UHFFFAOYSA-N 0 1 274.629 3.602 20 0 CHADMN Cc1cnc(Nc2ccc(Cl)c(O)c2F)c(F)c1 ZINC001214795866 1134573986 /nfs/dbraw/zinc/57/39/86/1134573986.db2.gz AKMYDAQRKJIYNX-UHFFFAOYSA-N 0 1 270.666 3.771 20 0 CHADMN O=c1cc(Cl)[nH]cc1Nc1ccc(Cl)c(O)c1F ZINC001214795992 1134574206 /nfs/dbraw/zinc/57/42/06/1134574206.db2.gz DRCPFQZUGYOKPO-UHFFFAOYSA-N 0 1 289.093 3.682 20 0 CHADMN Oc1c(Cl)ccc(Nc2cnn3cc(F)ccc23)c1F ZINC001214797909 1134574292 /nfs/dbraw/zinc/57/42/92/1134574292.db2.gz JHLKFMCNYWKZDN-UHFFFAOYSA-N 0 1 295.676 3.715 20 0 CHADMN Cn1ncc2ccc(Nc3ccc(Cl)c(O)c3F)cc21 ZINC001214798999 1134574725 /nfs/dbraw/zinc/57/47/25/1134574725.db2.gz GHXAGDBZGLFFIK-UHFFFAOYSA-N 0 1 291.713 3.815 20 0 CHADMN Oc1cccc(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214798965 1134574997 /nfs/dbraw/zinc/57/49/97/1134574997.db2.gz DPFMJBZUFCYBRG-UHFFFAOYSA-N 0 1 253.660 3.634 20 0 CHADMN Cc1ccc(Nc2ccc(Cl)c(O)c2F)cc1O ZINC001214801481 1134575270 /nfs/dbraw/zinc/57/52/70/1134575270.db2.gz MDPORNLHZSINOF-UHFFFAOYSA-N 0 1 267.687 3.942 20 0 CHADMN O=C1OCc2c1cccc2Nc1ccc(Cl)c(O)c1F ZINC001214803642 1134575706 /nfs/dbraw/zinc/57/57/06/1134575706.db2.gz ASWDFJLTXRNWBW-UHFFFAOYSA-N 0 1 293.681 3.599 20 0 CHADMN COc1c(O)cccc1Nc1ccc(Cl)c(O)c1F ZINC001214809055 1134576343 /nfs/dbraw/zinc/57/63/43/1134576343.db2.gz GRSFPRIMAMVDJU-UHFFFAOYSA-N 0 1 283.686 3.643 20 0 CHADMN Nc1c(Cl)cc(Cl)cc1CN1CC[C@H](C2CC2)C1 ZINC000400038713 1134577482 /nfs/dbraw/zinc/57/74/82/1134577482.db2.gz MZPVIRZPEPQHTH-JTQLQIEISA-N 0 1 285.218 3.808 20 0 CHADMN Cc1ccc(Cl)cc1N[C@H]1CCCc2[nH]ncc21 ZINC000401622127 1134617639 /nfs/dbraw/zinc/61/76/39/1134617639.db2.gz WQPPRJPGFWGWEH-LBPRGKRZSA-N 0 1 261.756 3.861 20 0 CHADMN COc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1Cl ZINC000401612008 1134617823 /nfs/dbraw/zinc/61/78/23/1134617823.db2.gz NQLPJMHNCOPUKS-LBPRGKRZSA-N 0 1 277.755 3.561 20 0 CHADMN CC(C)Oc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1 ZINC000401939935 1134626818 /nfs/dbraw/zinc/62/68/18/1134626818.db2.gz MIVKBQQNIQGUNJ-HNNXBMFYSA-N 0 1 271.364 3.686 20 0 CHADMN CC(C)Cc1cc(Nc2cc3n[nH]cc3c(F)c2)on1 ZINC001215552836 1134639272 /nfs/dbraw/zinc/63/92/72/1134639272.db2.gz GXNZSUQVBYPVPM-UHFFFAOYSA-N 0 1 274.299 3.632 20 0 CHADMN Cc1cc(Cl)nc(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215553854 1134639595 /nfs/dbraw/zinc/63/95/95/1134639595.db2.gz LHYHDBALKKLIBK-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Fc1cc(Nc2cc(Cl)nnc2Cl)cc2[nH]ncc21 ZINC001215553043 1134639696 /nfs/dbraw/zinc/63/96/96/1134639696.db2.gz LZQSMCBIXRVSPR-UHFFFAOYSA-N 0 1 298.108 3.542 20 0 CHADMN Fc1cc(Nc2ccnc(C(F)(F)F)c2)cc2[nH]ncc21 ZINC001215552709 1134639903 /nfs/dbraw/zinc/63/99/03/1134639903.db2.gz ADEUXALTFZMZTO-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Fc1cc(Nc2cnc3occc3c2)cc2[nH]ncc21 ZINC001215556148 1134641221 /nfs/dbraw/zinc/64/12/21/1134641221.db2.gz SUZUAEUFGLBMFM-UHFFFAOYSA-N 0 1 268.251 3.587 20 0 CHADMN CC(=O)c1ccc(F)cc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215556956 1134642277 /nfs/dbraw/zinc/64/22/77/1134642277.db2.gz NAULTVCKQUVZBK-UHFFFAOYSA-N 0 1 287.269 3.787 20 0 CHADMN Cc1cc(O)cc(C)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215556585 1134642404 /nfs/dbraw/zinc/64/24/04/1134642404.db2.gz IMQCCECYSPTPDS-UHFFFAOYSA-N 0 1 271.295 3.768 20 0 CHADMN Fc1c(CN2CCCCC2)cccc1Nc1ncco1 ZINC001215675542 1134658959 /nfs/dbraw/zinc/65/89/59/1134658959.db2.gz AZULNRDJNNPIGM-UHFFFAOYSA-N 0 1 275.327 3.543 20 0 CHADMN Cc1ccc(Nc2cccc(Cl)n2)c2cn[nH]c21 ZINC001215754248 1134673666 /nfs/dbraw/zinc/67/36/66/1134673666.db2.gz PSJPXNJWMZZBPJ-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1ccc(Nc2cnn(C(C)(C)C)c2)c2cn[nH]c21 ZINC001215755444 1134674321 /nfs/dbraw/zinc/67/43/21/1134674321.db2.gz QIZUYBMUCMBJMT-UHFFFAOYSA-N 0 1 269.352 3.566 20 0 CHADMN Cc1ccc(Nc2ccc(F)c(F)c2)c2cn[nH]c21 ZINC001215756945 1134674595 /nfs/dbraw/zinc/67/45/95/1134674595.db2.gz HICBXQFUOJDGBB-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN CC(=O)c1cc(Nc2ccc(C)c3[nH]ncc32)cnc1C ZINC001215757058 1134674673 /nfs/dbraw/zinc/67/46/73/1134674673.db2.gz KBEIAWNGFKQTNU-UHFFFAOYSA-N 0 1 280.331 3.521 20 0 CHADMN Cc1cc(C)c(Nc2ccc(C)c3[nH]ncc32)cn1 ZINC001215755685 1134674693 /nfs/dbraw/zinc/67/46/93/1134674693.db2.gz XOTXNMZTBITGPO-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN Cc1ccc(Nc2cnc3occc3c2)c2cn[nH]c21 ZINC001215756853 1134674830 /nfs/dbraw/zinc/67/48/30/1134674830.db2.gz GHNHEGWJQJFIGW-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1cc(Nc2ccc(C)c3[nH]ncc32)cc(Cl)n1 ZINC001215755767 1134674882 /nfs/dbraw/zinc/67/48/82/1134674882.db2.gz AWGKEMNSZWLXPP-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1ccc(Nc2cccc(C)c2O)c2cn[nH]c21 ZINC001215756627 1134674967 /nfs/dbraw/zinc/67/49/67/1134674967.db2.gz FBDDHWFARFNDJR-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COc1cccc(C)c1Nc1ccc(C)c2[nH]ncc21 ZINC001215756596 1134675148 /nfs/dbraw/zinc/67/51/48/1134675148.db2.gz CGSGGARJCDOZHL-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN COc1cc(Cl)cnc1Nc1ccc(C)c2[nH]ncc21 ZINC001215756232 1134675288 /nfs/dbraw/zinc/67/52/88/1134675288.db2.gz ODUGBCIKNIBRHM-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1ccc(Nc2cccc([C@@H](C)O)c2)c2cn[nH]c21 ZINC001215757456 1134676096 /nfs/dbraw/zinc/67/60/96/1134676096.db2.gz VCNLEFAQDXSJIW-LLVKDONJSA-N 0 1 267.332 3.668 20 0 CHADMN Cc1ccc(Nc2cccc3c2OCC3)c2cn[nH]c21 ZINC001215758013 1134676594 /nfs/dbraw/zinc/67/65/94/1134676594.db2.gz DMLJROZYEGAIPP-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN Cc1ccc(Nc2cccc(-n3cccn3)c2)c2cn[nH]c21 ZINC001215758022 1134676609 /nfs/dbraw/zinc/67/66/09/1134676609.db2.gz FFIUUGJCVHCUQS-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN COC(=O)c1cccc(Nc2ccc(C)c3[nH]ncc32)c1F ZINC001215759131 1134677177 /nfs/dbraw/zinc/67/71/77/1134677177.db2.gz FVAVDKUJXQKYSG-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1ccc(Nc2cc(F)c(O)cc2F)c2cn[nH]c21 ZINC001215759852 1134677341 /nfs/dbraw/zinc/67/73/41/1134677341.db2.gz ZBVORFSQOMBXOO-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN COc1c(F)cc(Nc2ccc(C)c3[nH]ncc32)cc1F ZINC001215759456 1134677629 /nfs/dbraw/zinc/67/76/29/1134677629.db2.gz LFRTVTNNROAHDI-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1ccc(Nc2ccc(CO)c(Cl)c2)c2cn[nH]c21 ZINC001215759667 1134677858 /nfs/dbraw/zinc/67/78/58/1134677858.db2.gz PISKOLLLHIDKBV-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN CCOc1ccc(C)c(F)c1Nc1noc(C(C)(C)C)n1 ZINC001215760359 1134678600 /nfs/dbraw/zinc/67/86/00/1134678600.db2.gz MRPQTUAPBDKHSI-UHFFFAOYSA-N 0 1 293.342 3.957 20 0 CHADMN Oc1cccc(F)c1-c1nc(-c2ncccc2C2CC2)no1 ZINC001215776855 1134683693 /nfs/dbraw/zinc/68/36/93/1134683693.db2.gz XIAATQBWEMHHPJ-UHFFFAOYSA-N 0 1 297.289 3.521 20 0 CHADMN Cc1ccc(-c2noc(-c3c(O)cccc3F)n2)c(C)c1 ZINC001215776804 1134683797 /nfs/dbraw/zinc/68/37/97/1134683797.db2.gz UPIQIOADSMBATR-UHFFFAOYSA-N 0 1 284.290 3.865 20 0 CHADMN Oc1ccc(-c2nc(-c3cccc4ccoc43)no2)cc1F ZINC001215792252 1134687441 /nfs/dbraw/zinc/68/74/41/1134687441.db2.gz MVUBTVCQHPRWCC-UHFFFAOYSA-N 0 1 296.257 3.995 20 0 CHADMN Oc1cc(-c2nc(-c3ccc(F)cc3)no2)ccc1Cl ZINC001215804447 1134691707 /nfs/dbraw/zinc/69/17/07/1134691707.db2.gz VKTQIHLEBQZXJH-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN Oc1cc(-c2nc(-c3cccc(F)c3)no2)ccc1Cl ZINC001215804545 1134691793 /nfs/dbraw/zinc/69/17/93/1134691793.db2.gz ZJFFHPFURNBPKT-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN Cc1ncn(-c2cc(Cl)cc(C(F)(F)F)c2F)c1N ZINC001215814165 1134694277 /nfs/dbraw/zinc/69/42/77/1134694277.db2.gz PDGVPKHLWUPAPZ-UHFFFAOYSA-N 0 1 293.651 3.574 20 0 CHADMN Cc1cc(C[C@H](C)Nc2cc(Cl)cc3[nH]ncc32)on1 ZINC001215857200 1134703898 /nfs/dbraw/zinc/70/38/98/1134703898.db2.gz CNPTURBUGXIXBI-QMMMGPOBSA-N 0 1 290.754 3.556 20 0 CHADMN COc1ccc(Nc2cc(Cl)cc3[nH]ncc32)c(C)n1 ZINC001215858326 1134703930 /nfs/dbraw/zinc/70/39/30/1134703930.db2.gz YFEURAVZOWMOJE-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Clc1cc2[nH]ncc2c(Nc2cccc3c2CCO3)c1 ZINC001215861194 1134705051 /nfs/dbraw/zinc/70/50/51/1134705051.db2.gz ZQGSIWNBQDBJOU-UHFFFAOYSA-N 0 1 285.734 3.895 20 0 CHADMN COc1ccc(N)c(Nc2cc(Cl)cc3[nH]ncc32)c1 ZINC001215859514 1134705597 /nfs/dbraw/zinc/70/55/97/1134705597.db2.gz LZZIUBUUJWMSEC-UHFFFAOYSA-N 0 1 288.738 3.551 20 0 CHADMN O=C1OCc2c1cccc2Nc1cc(Cl)cc2[nH]ncc21 ZINC001215860622 1134706080 /nfs/dbraw/zinc/70/60/80/1134706080.db2.gz GSMQYSLZYAFHJJ-UHFFFAOYSA-N 0 1 299.717 3.630 20 0 CHADMN Cc1cc(C)nc(Nc2cc(OC(F)(F)F)ccc2N)c1 ZINC001216012071 1134749474 /nfs/dbraw/zinc/74/94/74/1134749474.db2.gz FYLVIDQYOKQHDK-UHFFFAOYSA-N 0 1 297.280 3.923 20 0 CHADMN Cc1cc(Cl)c(N)c(Nc2ccc3nccn3c2)c1 ZINC001216092435 1134774547 /nfs/dbraw/zinc/77/45/47/1134774547.db2.gz SDYBIYHQQKKSGK-UHFFFAOYSA-N 0 1 272.739 3.622 20 0 CHADMN Cc1cc(Cl)c(N)c(Nc2ccnn2-c2ccncc2)c1 ZINC001216092602 1134774916 /nfs/dbraw/zinc/77/49/16/1134774916.db2.gz MFIQPFIEZYHZNH-UHFFFAOYSA-N 0 1 299.765 3.555 20 0 CHADMN Cc1nonc1Nc1ccc(Cl)cc1C(F)(F)F ZINC001216135271 1134788543 /nfs/dbraw/zinc/78/85/43/1134788543.db2.gz ZQOCOPIGTJZORF-UHFFFAOYSA-N 0 1 277.633 3.794 20 0 CHADMN COc1cc(F)ccc1Nc1cccc(CN(C)C)c1F ZINC001216232208 1134814870 /nfs/dbraw/zinc/81/48/70/1134814870.db2.gz YSKLOJCSSDJBKZ-UHFFFAOYSA-N 0 1 292.329 3.779 20 0 CHADMN Cc1ccc(Nc2cccc(CN(C)C)c2F)c(O)c1 ZINC001216230774 1134816007 /nfs/dbraw/zinc/81/60/07/1134816007.db2.gz CMMJJDBGDNQTEP-UHFFFAOYSA-N 0 1 274.339 3.645 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cccc(O)c1C ZINC001216320366 1134853229 /nfs/dbraw/zinc/85/32/29/1134853229.db2.gz MWBFPTCMEAEMTK-UHFFFAOYSA-N 0 1 271.295 3.539 20 0 CHADMN Cc1cc(Cl)ccc1Nc1ccnn1-c1ccncc1 ZINC001216433066 1134896323 /nfs/dbraw/zinc/89/63/23/1134896323.db2.gz ONBUIJGMHBSEHD-UHFFFAOYSA-N 0 1 284.750 3.973 20 0 CHADMN Cc1c(-c2ccccc2)nsc1NC1=CCCOC1 ZINC001216508009 1134912212 /nfs/dbraw/zinc/91/22/12/1134912212.db2.gz YHWFDCVIPXUDQD-UHFFFAOYSA-N 0 1 272.373 3.835 20 0 CHADMN c1ncn(Cc2ccccc2)c1Nc1cncc(C2CC2)c1 ZINC001216550636 1134917694 /nfs/dbraw/zinc/91/76/94/1134917694.db2.gz LVFNNGVYLVNJBL-UHFFFAOYSA-N 0 1 290.370 3.947 20 0 CHADMN c1ncn(Cc2ccccc2)c1Nc1cccc(C2CC2)n1 ZINC001216551977 1134918488 /nfs/dbraw/zinc/91/84/88/1134918488.db2.gz FNMAAZMFMNRWGE-UHFFFAOYSA-N 0 1 290.370 3.947 20 0 CHADMN Cc1ccc(F)c(Nc2cncn2Cc2ccccc2)n1 ZINC001216550422 1134918651 /nfs/dbraw/zinc/91/86/51/1134918651.db2.gz DCDXJXDBSVXPEQ-UHFFFAOYSA-N 0 1 282.322 3.518 20 0 CHADMN Cc1cccc(O)c1Nc1cncn1Cc1ccccc1 ZINC001216554009 1134920263 /nfs/dbraw/zinc/92/02/63/1134920263.db2.gz ZIICDGAIHDAWRZ-UHFFFAOYSA-N 0 1 279.343 3.689 20 0 CHADMN Cc1noc2ccc(Nc3cnc4cccc(C)n34)cc12 ZINC001216639943 1134937467 /nfs/dbraw/zinc/93/74/67/1134937467.db2.gz CYARRECVAIRRPD-UHFFFAOYSA-N 0 1 278.315 3.836 20 0 CHADMN Oc1ccc(F)c(F)c1-c1nc(-c2cccc(F)c2)no1 ZINC001216928711 1134954536 /nfs/dbraw/zinc/95/45/36/1134954536.db2.gz GOIOZJUFTCCCEN-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN Cc1cc(F)ccc1-c1noc(-c2cnc3[nH]cccc2-3)n1 ZINC001217146662 1134965091 /nfs/dbraw/zinc/96/50/91/1134965091.db2.gz XXSKDNKDENTLBQ-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Fc1cc(F)cc(-c2noc(-c3cc4cccnc4[nH]3)n2)c1 ZINC001217306130 1134971301 /nfs/dbraw/zinc/97/13/01/1134971301.db2.gz OPRCHDMJKUXPPW-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN Cc1cccc(-c2noc(-c3ccc4cncn4c3)n2)c1C ZINC001217345726 1134972786 /nfs/dbraw/zinc/97/27/86/1134972786.db2.gz VCOFZJMVMAHRSI-UHFFFAOYSA-N 0 1 290.326 3.668 20 0 CHADMN Cc1cccc(-c2noc(-c3cnc4ccc[nH]c3-4)n2)c1F ZINC001217398905 1134974700 /nfs/dbraw/zinc/97/47/00/1134974700.db2.gz MMCGKJKRHYZZAW-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1c(F)cccc1-c1noc(-c2cnc3ccc[nH]c2-3)n1 ZINC001217399840 1134976563 /nfs/dbraw/zinc/97/65/63/1134976563.db2.gz WGACYKNTQKAMRG-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1[nH]nc2cc(-c3nc(-c4ccccc4F)no3)ccc12 ZINC001217576043 1134983723 /nfs/dbraw/zinc/98/37/23/1134983723.db2.gz IUMKCCNTQWLWDV-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1n[nH]c2ccc(-c3nc(-c4cccc(F)c4)no3)cc12 ZINC001217575365 1134984284 /nfs/dbraw/zinc/98/42/84/1134984284.db2.gz LFVDHAYDDGDPID-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN CN[C@H](CC(C)C)c1nnc([C@@H]2C[C@@H]2c2ccc(C)cc2)o1 ZINC001217714889 1134990658 /nfs/dbraw/zinc/99/06/58/1134990658.db2.gz OMVVKWQXXJNOQG-BZUAXINKSA-N 0 1 299.418 3.956 20 0 CHADMN CN[C@H](c1nnc([C@@H]2C[C@@H]2c2ccc(C)cc2)o1)C(C)C ZINC001217726871 1134992166 /nfs/dbraw/zinc/99/21/66/1134992166.db2.gz KAWFBMMNHBUXJK-KFWWJZLASA-N 0 1 285.391 3.566 20 0 CHADMN C[C@@H]1CCC[C@@H](OCc2cccc3nc[nH]c32)[C@H]1C ZINC001217892129 1135018184 /nfs/dbraw/zinc/01/81/84/1135018184.db2.gz CHZGZRLHPRYJCK-TYNCELHUSA-N 0 1 258.365 3.904 20 0 CHADMN COc1ccc([C@@H](C)NCC=C(Cl)Cl)cc1F ZINC000407074776 1135091651 /nfs/dbraw/zinc/09/16/51/1135091651.db2.gz VWSHUEZAERPCGM-MRVPVSSYSA-N 0 1 278.154 3.804 20 0 CHADMN CO[C@H]1C[C@@H](NCc2cc(Cl)sc2Cl)C1(C)C ZINC000312594987 1135134338 /nfs/dbraw/zinc/13/43/38/1135134338.db2.gz DGGINEODFRTBPC-BDAKNGLRSA-N 0 1 294.247 3.958 20 0 CHADMN CC(C)(C)C[C@@H](O)CNCc1cc(Cl)sc1Cl ZINC000312601240 1135134539 /nfs/dbraw/zinc/13/45/39/1135134539.db2.gz LQYXLSORKRMBFA-SECBINFHSA-N 0 1 296.263 3.942 20 0 CHADMN CCCCCC[C@H](C)N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000315120963 1135151649 /nfs/dbraw/zinc/15/16/49/1135151649.db2.gz IJBMJTQRTMCDGO-RYUDHWBXSA-N 0 1 298.452 3.939 20 0 CHADMN CCOc1ccc(-c2ccc3nc[nH]c3c2C)c(C)n1 ZINC001222105871 1135193256 /nfs/dbraw/zinc/19/32/56/1135193256.db2.gz BGOJTKJXMDJMLD-UHFFFAOYSA-N 0 1 267.332 3.640 20 0 CHADMN Cc1ccc(OC(C)C)cc1-c1ccc(CN(C)C)cn1 ZINC001222137630 1135198982 /nfs/dbraw/zinc/19/89/82/1135198982.db2.gz MDSKEMBOJLXNFK-UHFFFAOYSA-N 0 1 284.403 3.906 20 0 CHADMN COC(=O)c1cc2ccc(-c3ccccc3Cl)[nH]c-2n1 ZINC001222423202 1135240643 /nfs/dbraw/zinc/24/06/43/1135240643.db2.gz MWAQPFXYUMYXBT-UHFFFAOYSA-N 0 1 286.718 3.670 20 0 CHADMN Cc1cc(C)c(COC2CN(C(C)(C)C)C2)c(C)c1 ZINC001222899182 1135281288 /nfs/dbraw/zinc/28/12/88/1135281288.db2.gz HXMBMRLSDZQMRR-UHFFFAOYSA-N 0 1 261.409 3.611 20 0 CHADMN C[C@H](OCc1cnc[nH]1)c1cc(Br)ccc1F ZINC001222999630 1135293186 /nfs/dbraw/zinc/29/31/86/1135293186.db2.gz DHKNXIYKUTYIFW-QMMMGPOBSA-N 0 1 299.143 3.589 20 0 CHADMN CC(C)C[C@H](Cc1ccccc1)OCc1cnc[nH]1 ZINC001223007652 1135294049 /nfs/dbraw/zinc/29/40/49/1135294049.db2.gz NCEOOWRRTUIBBT-MRXNPFEDSA-N 0 1 258.365 3.584 20 0 CHADMN CN1CCC[C@@H](OC(Cl)(Cl)c2ccccc2)CC1 ZINC001223305169 1135324868 /nfs/dbraw/zinc/32/48/68/1135324868.db2.gz IMORQWGCPBEUOP-CYBMUJFWSA-N 0 1 288.218 3.775 20 0 CHADMN C[C@H](c1ccccn1)[N@H+]1CC[C@@H](OCC2CC(C)(C)C2)C1 ZINC001224769775 1135480816 /nfs/dbraw/zinc/48/08/16/1135480816.db2.gz QEVJCAIAJMFAAE-GDBMZVCRSA-N 0 1 288.435 3.670 20 0 CHADMN Fc1cc(F)cc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001225229058 1135519571 /nfs/dbraw/zinc/51/95/71/1135519571.db2.gz PBGUFAJCFQDHEI-MRXNPFEDSA-N 0 1 289.325 3.618 20 0 CHADMN Fc1cc(F)cc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001225229057 1135520045 /nfs/dbraw/zinc/52/00/45/1135520045.db2.gz PBGUFAJCFQDHEI-INIZCTEOSA-N 0 1 289.325 3.618 20 0 CHADMN CN1CCC[C@H](Oc2cc(C(F)(F)F)ccc2Cl)C1 ZINC001225324748 1135543048 /nfs/dbraw/zinc/54/30/48/1135543048.db2.gz QMZNBPSZXGRHPA-JTQLQIEISA-N 0 1 293.716 3.832 20 0 CHADMN Cc1ccc(Cl)c(O[C@@H]2CC[N@H+](C(C)C)C2)c1F ZINC001225933386 1135641239 /nfs/dbraw/zinc/64/12/39/1135641239.db2.gz RCFPEZFYRYUXGF-LLVKDONJSA-N 0 1 271.763 3.649 20 0 CHADMN Cc1ccc(Cl)c(O[C@@H]2CCN(C(C)C)C2)c1F ZINC001225933386 1135641240 /nfs/dbraw/zinc/64/12/40/1135641240.db2.gz RCFPEZFYRYUXGF-LLVKDONJSA-N 0 1 271.763 3.649 20 0 CHADMN Cc1ccc(O[C@H]2CCC[N@H+](C(C)C)C2)c(F)c1F ZINC001225944619 1135642813 /nfs/dbraw/zinc/64/28/13/1135642813.db2.gz OUJHRPWEPFJGFT-LBPRGKRZSA-N 0 1 269.335 3.525 20 0 CHADMN COc1ccc([C@H](Oc2cccc3[nH]nnc32)C(C)C)cc1 ZINC001225990773 1135649600 /nfs/dbraw/zinc/64/96/00/1135649600.db2.gz JXVQTMKXVGRVQH-QGZVFWFLSA-N 0 1 297.358 3.743 20 0 CHADMN [S-]c1cccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001226015248 1135652716 /nfs/dbraw/zinc/65/27/16/1135652716.db2.gz IFHIHHPONRNMLW-INIZCTEOSA-N 0 1 285.412 3.629 20 0 CHADMN Cc1cc(=O)[nH]c(O[C@@H](C)c2cc(Cl)ccc2C)n1 ZINC001226157459 1135668828 /nfs/dbraw/zinc/66/88/28/1135668828.db2.gz ZKLMQJBGXZBIDE-JTQLQIEISA-N 0 1 278.739 3.592 20 0 CHADMN COc1ccc([C@@H](Oc2n[nH]c3ncccc23)C(C)C)cc1 ZINC001226301734 1135682073 /nfs/dbraw/zinc/68/20/73/1135682073.db2.gz DDPLPZXFDCOIAJ-HNNXBMFYSA-N 0 1 297.358 3.743 20 0 CHADMN CC(C)[C@@H](Oc1n[nH]c2ncccc12)c1ccccc1 ZINC001226301826 1135682490 /nfs/dbraw/zinc/68/24/90/1135682490.db2.gz GGIUVSGUCJRBPJ-CQSZACIVSA-N 0 1 267.332 3.734 20 0 CHADMN C[C@@H](Oc1nccc(=O)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC001226324507 1135685167 /nfs/dbraw/zinc/68/51/67/1135685167.db2.gz PKHKBHJMLVJUBM-SSDOTTSWSA-N 0 1 285.130 3.629 20 0 CHADMN Cc1ccc2nc(O[C@H]3CCC(=O)c4ccccc43)[nH]c2c1 ZINC001226505807 1135704907 /nfs/dbraw/zinc/70/49/07/1135704907.db2.gz IYENZFZODVMMRS-KRWDZBQOSA-N 0 1 292.338 3.968 20 0 CHADMN C[C@H](Oc1ccc2nc[nH]c2c1)c1cccc(N(C)C)c1 ZINC001226928755 1135761857 /nfs/dbraw/zinc/76/18/57/1135761857.db2.gz QNBVCRPAGRKENT-LBPRGKRZSA-N 0 1 281.359 3.769 20 0 CHADMN COc1ccc([C@H](C)Oc2ccc3nc[nH]c3c2)c(F)c1 ZINC001226930111 1135762805 /nfs/dbraw/zinc/76/28/05/1135762805.db2.gz PMMLHPUHVOHNQO-JTQLQIEISA-N 0 1 286.306 3.851 20 0 CHADMN C[C@H](Oc1nc2ccc(Cl)cc2[nH]1)c1ncccc1F ZINC001227262285 1135812829 /nfs/dbraw/zinc/81/28/29/1135812829.db2.gz MCBSTRQVFRDNPR-QMMMGPOBSA-N 0 1 291.713 3.890 20 0 CHADMN C[C@H](Oc1[nH]c(=O)nc2[nH]ccc21)c1csc(Cl)c1 ZINC001227271431 1135814358 /nfs/dbraw/zinc/81/43/58/1135814358.db2.gz VXQRMMMWQXVEQC-LURJTMIESA-N 0 1 295.751 3.518 20 0 CHADMN Cc1nnc(=S)[nH]c1O[C@@H](C)c1cccc2ccccc21 ZINC001227598715 1135848817 /nfs/dbraw/zinc/84/88/17/1135848817.db2.gz MMBGGGBOXCNBEF-NSHDSACASA-N 0 1 297.383 3.762 20 0 CHADMN Cc1ccc(CN[C@@H]2CCOc3c(F)cccc32)cc1 ZINC000082504132 178068462 /nfs/dbraw/zinc/06/84/62/178068462.db2.gz XDSAFNQFPRQGMV-MRXNPFEDSA-N 0 1 271.335 3.748 20 0 CHADMN COc1cccc2c1OCC[C@H]2NCc1ccc(C)cc1 ZINC000082504613 178069160 /nfs/dbraw/zinc/06/91/60/178069160.db2.gz LRTUCBHHMGJTQM-MRXNPFEDSA-N 0 1 283.371 3.617 20 0 CHADMN CC[C@]1(C)CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000353701273 529395097 /nfs/dbraw/zinc/39/50/97/529395097.db2.gz FPBPXELOFNHGDT-MRXNPFEDSA-N 0 1 257.381 3.575 20 0 CHADMN CC[C@@H]1CN(Cc2c(C)oc3ccccc32)C[C@H](C)O1 ZINC000352721156 529395909 /nfs/dbraw/zinc/39/59/09/529395909.db2.gz ZSRMELJFTXIYMH-GXTWGEPZSA-N 0 1 273.376 3.741 20 0 CHADMN c1ccc2c(c1)CCC[C@H]2Sc1nc(C2CC2)n[nH]1 ZINC000125570350 187191267 /nfs/dbraw/zinc/19/12/67/187191267.db2.gz OPESGKRTJSSLHD-CYBMUJFWSA-N 0 1 271.389 3.852 20 0 CHADMN c1ccc2c(c1)CCC[C@H]2Sc1n[nH]c(C2CC2)n1 ZINC000125570350 187191268 /nfs/dbraw/zinc/19/12/68/187191268.db2.gz OPESGKRTJSSLHD-CYBMUJFWSA-N 0 1 271.389 3.852 20 0 CHADMN CC[C@H](F)CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000352817195 529438774 /nfs/dbraw/zinc/43/87/74/529438774.db2.gz QGLKZWOAKHLJJV-GWCFXTLKSA-N 0 1 294.197 3.755 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2nc3ccccc3n2C)C1 ZINC000353692058 529523886 /nfs/dbraw/zinc/52/38/86/529523886.db2.gz VCXDJXWLDUSBBM-KRWDZBQOSA-N 0 1 271.408 3.585 20 0 CHADMN CCc1ccc(CN[C@H](c2ncccc2C)C(C)C)cn1 ZINC000352771309 529657292 /nfs/dbraw/zinc/65/72/92/529657292.db2.gz OIVQUXNPSJKXPS-KRWDZBQOSA-N 0 1 283.419 3.834 20 0 CHADMN CCc1ccc(CNC2(c3cccc(F)c3)CC2)cn1 ZINC000352769496 529650690 /nfs/dbraw/zinc/65/06/90/529650690.db2.gz NIANQBRYHUWFEE-UHFFFAOYSA-N 0 1 270.351 3.562 20 0 CHADMN CC[C@H](N[C@@H](C)c1nc(C)cc(=O)[nH]1)c1ccc(C)cc1 ZINC000192722676 529653851 /nfs/dbraw/zinc/65/38/51/529653851.db2.gz SYRUZLLWELHMCA-ZFWWWQNUSA-N 0 1 285.391 3.601 20 0 CHADMN CC[C@H](N[C@@H](c1nccn1C)C1CC1)c1cccc(C)c1 ZINC000353861221 529655305 /nfs/dbraw/zinc/65/53/05/529655305.db2.gz AMUBEHJRWCFFNI-DLBZAZTESA-N 0 1 283.419 3.921 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2ccc(C)cc21)c1ccn(C)n1 ZINC000352605495 529658623 /nfs/dbraw/zinc/65/86/23/529658623.db2.gz NXJQLJXDJFUADR-DLBZAZTESA-N 0 1 283.419 3.847 20 0 CHADMN CN(C)c1ccccc1CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000353701141 529794124 /nfs/dbraw/zinc/79/41/24/529794124.db2.gz ZRKPHEWVBPIQOV-SFHVURJKSA-N 0 1 295.430 3.731 20 0 CHADMN CN1Cc2ccc(NCc3cccc4cc[nH]c43)cc2C1 ZINC000347897216 529830617 /nfs/dbraw/zinc/83/06/17/529830617.db2.gz CNXKSRLOHHRNFA-UHFFFAOYSA-N 0 1 277.371 3.725 20 0 CHADMN CN(CC[C@H]1CCCCO1)Cc1ccc(F)cc1Cl ZINC000347466514 529932042 /nfs/dbraw/zinc/93/20/42/529932042.db2.gz PJKCFZMCZSDOKA-CQSZACIVSA-N 0 1 285.790 3.870 20 0 CHADMN CCc1nc(C)c(CN[C@H](CC)c2cccs2)o1 ZINC000336817773 334952259 /nfs/dbraw/zinc/95/22/59/334952259.db2.gz RUDOLGZVHWABMC-LLVKDONJSA-N 0 1 264.394 3.848 20 0 CHADMN CN(Cc1ccc(Cl)o1)C[C@H]1OCCc2ccccc21 ZINC000352681905 529985672 /nfs/dbraw/zinc/98/56/72/529985672.db2.gz NUSULZCNCVKCTF-OAHLLOKOSA-N 0 1 291.778 3.679 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nc(C(C)(C)C)no1)C(C)(C)C ZINC000517964922 260328161 /nfs/dbraw/zinc/32/81/61/260328161.db2.gz BCJAWLWWGLYRGH-WDEREUQCSA-N 0 1 267.417 3.842 20 0 CHADMN C[N@H+](Cc1cc(O)cc(F)c1)CC1CCCCC1 ZINC000223763452 260363518 /nfs/dbraw/zinc/36/35/18/260363518.db2.gz MWFBVHHCRXDEHP-UHFFFAOYSA-N 0 1 251.345 3.543 20 0 CHADMN FCC(CF)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000449380909 260471973 /nfs/dbraw/zinc/47/19/73/260471973.db2.gz PGBPWUVSOSHRTQ-LSDHHAIUSA-N 0 1 253.336 3.610 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cnn3ccccc23)C1 ZINC000574239908 335003396 /nfs/dbraw/zinc/00/33/96/335003396.db2.gz HEDTXEFPHOUUEW-KXBFYZLASA-N 0 1 291.398 3.917 20 0 CHADMN CSC[C@H]1CCCN1Cc1ncc(C(C)(C)C)s1 ZINC000448338174 261118392 /nfs/dbraw/zinc/11/83/92/261118392.db2.gz ZDDQEFPIJZTZNK-LLVKDONJSA-N 0 1 284.494 3.768 20 0 CHADMN Cc1ccc2ccccc2c1C[N@@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000574697538 335040705 /nfs/dbraw/zinc/04/07/05/335040705.db2.gz VESPGULKBBDMGB-KUHUBIRLSA-N 0 1 297.398 3.691 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccc(F)c(F)c1)c1nccs1 ZINC000183966440 262002749 /nfs/dbraw/zinc/00/27/49/262002749.db2.gz NRLBBABUIXFSDM-JTQLQIEISA-N 0 1 282.359 3.657 20 0 CHADMN Cc1cc(C)c(C[N@H+](CCC(=O)[O-])CC(C)C)c(C)c1 ZINC000574763431 335045860 /nfs/dbraw/zinc/04/58/60/335045860.db2.gz SAOZBJFGQKGGCR-UHFFFAOYSA-N 0 1 277.408 3.545 20 0 CHADMN COC(C)(C)CCN1CCCn2c(cc3ccccc32)C1 ZINC000347527061 532949819 /nfs/dbraw/zinc/94/98/19/532949819.db2.gz VJVBZHPZJFUONR-UHFFFAOYSA-N 0 1 286.419 3.662 20 0 CHADMN CC[C@@H](C[N@H+](CC)Cc1ncccc1[O-])c1ccccc1 ZINC000574796041 335047681 /nfs/dbraw/zinc/04/76/81/335047681.db2.gz PTGPBXILTXVHOY-HNNXBMFYSA-N 0 1 284.403 3.803 20 0 CHADMN CC[C@@H](C[N@@H+](CC)Cc1ncccc1[O-])c1ccccc1 ZINC000574796041 335047683 /nfs/dbraw/zinc/04/76/83/335047683.db2.gz PTGPBXILTXVHOY-HNNXBMFYSA-N 0 1 284.403 3.803 20 0 CHADMN CO[C@H](C)CN(Cc1nc2c(s1)C[C@@H](C)CC2)C(C)C ZINC000353802577 533082176 /nfs/dbraw/zinc/08/21/76/533082176.db2.gz BSHXWIJBPRQHGD-QWHCGFSZSA-N 0 1 296.480 3.513 20 0 CHADMN COc1ccsc1CN1Cc2ccccc2C[C@@H]1C ZINC000353667498 533098035 /nfs/dbraw/zinc/09/80/35/533098035.db2.gz UWNWYTUHEOVFSN-LBPRGKRZSA-N 0 1 273.401 3.704 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1ccc(C(C)(C)C)cc1)C1CCC1 ZINC000574822875 335050758 /nfs/dbraw/zinc/05/07/58/335050758.db2.gz FSBGCCFRPICBAF-ZDUSSCGKSA-N 0 1 289.419 3.812 20 0 CHADMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cc(C(=O)[O-])ccc1Cl ZINC000574884250 335055274 /nfs/dbraw/zinc/05/52/74/335055274.db2.gz OAGRAPBVLBVQHK-ZWNOBZJWSA-N 0 1 281.783 3.801 20 0 CHADMN CCCNCc1csc(COc2ccc(Cl)cc2)n1 ZINC000035718891 260034397 /nfs/dbraw/zinc/03/43/97/260034397.db2.gz IRQVBZSQAIQNBC-UHFFFAOYSA-N 0 1 296.823 3.875 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N1CCOCC2(CCC2)C1 ZINC000521317755 260043152 /nfs/dbraw/zinc/04/31/52/260043152.db2.gz VPJHJJZXSFGKIB-CYBMUJFWSA-N 0 1 279.811 3.904 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2nccn2Cc2ccccc2)C1 ZINC000355078878 227376603 /nfs/dbraw/zinc/37/66/03/227376603.db2.gz BQKHVMJDXHGVRD-ZACQAIPSSA-N 0 1 297.446 3.798 20 0 CHADMN C[C@@H](NCc1ccc2cc[nH]c2n1)c1cccc(F)c1 ZINC000353616345 533452325 /nfs/dbraw/zinc/45/23/25/533452325.db2.gz BRSQZPGDVGACEH-LLVKDONJSA-N 0 1 269.323 3.553 20 0 CHADMN CSC1(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000347591777 533481064 /nfs/dbraw/zinc/48/10/64/533481064.db2.gz PHMZEHPTAVRQCP-CQSZACIVSA-N 0 1 297.851 3.609 20 0 CHADMN CSC1(CN2CCc3c(F)ccc(F)c3C2)CCC1 ZINC000356104739 533483443 /nfs/dbraw/zinc/48/34/43/533483443.db2.gz BEQPREZQBUYMSJ-UHFFFAOYSA-N 0 1 283.387 3.609 20 0 CHADMN Cc1[nH]c2ccccc2c1CCNc1cccc(C)n1 ZINC000302230104 533633052 /nfs/dbraw/zinc/63/30/52/533633052.db2.gz BLSDEDVAOVNRND-UHFFFAOYSA-N 0 1 265.360 3.834 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1sccc1Cl ZINC000336494473 533669510 /nfs/dbraw/zinc/66/95/10/533669510.db2.gz GAGYORPTSWOXLT-UHFFFAOYSA-N 0 1 291.710 3.623 20 0 CHADMN Cc1ccnc(NC[C@@H](c2ccsc2)N(C)C)c1Cl ZINC000341739591 130014146 /nfs/dbraw/zinc/01/41/46/130014146.db2.gz ALWNBGIRFISOHG-LBPRGKRZSA-N 0 1 295.839 3.820 20 0 CHADMN Cc1cc([C@@H](N[C@H](C)c2nccn2C)C2CC2)ccc1F ZINC000341878322 130104022 /nfs/dbraw/zinc/10/40/22/130104022.db2.gz NEEXPAXKDMUCCJ-WBMJQRKESA-N 0 1 287.382 3.670 20 0 CHADMN COc1ccc(CNC2(c3ccc(Cl)cc3)CC2)cn1 ZINC000341877526 130104380 /nfs/dbraw/zinc/10/43/80/130104380.db2.gz LQNUPBOORGROQO-UHFFFAOYSA-N 0 1 288.778 3.523 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCC2(CCOCC2)CC1 ZINC000341984851 130209152 /nfs/dbraw/zinc/20/91/52/130209152.db2.gz HJIWNTYIZVJYGN-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN Fc1cc(CN2CCC[C@@H]2[C@@H]2CCCO2)ccc1Cl ZINC000342055909 130225268 /nfs/dbraw/zinc/22/52/68/130225268.db2.gz ZDMGXZVLEZVWJY-CABCVRRESA-N 0 1 283.774 3.623 20 0 CHADMN Cc1cc(-c2nc([C@H](N)CC(C)C)no2)c2ccccc2n1 ZINC000342033198 130249163 /nfs/dbraw/zinc/24/91/63/130249163.db2.gz ZUFMOHRPXFEUNR-CQSZACIVSA-N 0 1 296.374 3.639 20 0 CHADMN CN(Cc1ccn(-c2ccc(Cl)cc2)n1)CC1CCC1 ZINC000342251847 130373142 /nfs/dbraw/zinc/37/31/42/130373142.db2.gz RLGBAEWWBPBNAH-UHFFFAOYSA-N 0 1 289.810 3.758 20 0 CHADMN Cc1[nH]nc2ncc(CN3CCCC[C@H]3c3ccco3)cc12 ZINC000353565577 533676541 /nfs/dbraw/zinc/67/65/41/533676541.db2.gz GNNKQNDZCWJIIF-HNNXBMFYSA-N 0 1 296.374 3.587 20 0 CHADMN C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccccc1 ZINC000005171660 170073140 /nfs/dbraw/zinc/07/31/40/170073140.db2.gz XXFIZCFRBXAOTA-SNVBAGLBSA-N 0 1 275.735 3.537 20 0 CHADMN Cc1ccc(C)c(NC(=O)c2cc(-c3ccccc3)n[nH]2)c1 ZINC000007752364 170300467 /nfs/dbraw/zinc/30/04/67/170300467.db2.gz FTJNAOPDDVWHIH-UHFFFAOYSA-N 0 1 291.354 3.946 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1[C@H](C)CCC[C@H]1C ZINC000009997648 170394032 /nfs/dbraw/zinc/39/40/32/170394032.db2.gz BLJXORDHZUNQCK-HUUCEWRRSA-N 0 1 288.435 3.759 20 0 CHADMN CCC[C@@H]1CCC[N@H+]([C@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000575131249 335070752 /nfs/dbraw/zinc/07/07/52/335070752.db2.gz ZVFXHUGBUOXIMU-DGCLKSJQSA-N 0 1 279.380 3.859 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@H](C)c1ccncc1 ZINC000020121444 171000318 /nfs/dbraw/zinc/00/03/18/171000318.db2.gz AYLNQBXDQGZJLF-KGLIPLIRSA-N 0 1 270.376 3.892 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccncc1)c1ccc(F)cc1F ZINC000020121422 171000591 /nfs/dbraw/zinc/00/05/91/171000591.db2.gz VLYITEYGYWXQKV-WDEREUQCSA-N 0 1 262.303 3.772 20 0 CHADMN CCOc1ccc([C@H](C)N[C@@H](C)c2ccccn2)cc1 ZINC000020123488 171004533 /nfs/dbraw/zinc/00/45/33/171004533.db2.gz HIULEHRKUKLODN-KBPBESRZSA-N 0 1 270.376 3.892 20 0 CHADMN Cc1ccc(NC(=O)c2cc(Cl)ccc2O)c(F)c1 ZINC000020363069 171162482 /nfs/dbraw/zinc/16/24/82/171162482.db2.gz OTXROLQOIOKDOQ-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000035219423 172060534 /nfs/dbraw/zinc/06/05/34/172060534.db2.gz VJAZJVWZECJGSD-BXUZGUMPSA-N 0 1 293.794 3.840 20 0 CHADMN Cc1cc([C@@H](C)NCc2c(C)noc2C)c(C)s1 ZINC000035253051 172082654 /nfs/dbraw/zinc/08/26/54/172082654.db2.gz JOJGBDSMLJTJLA-SECBINFHSA-N 0 1 264.394 3.821 20 0 CHADMN Cc1c([C@@H](C)NCc2cccc(C(F)(F)F)c2)cnn1C ZINC000035274386 172094608 /nfs/dbraw/zinc/09/46/08/172094608.db2.gz DYPPHXNGIWRTJL-SNVBAGLBSA-N 0 1 297.324 3.598 20 0 CHADMN Cc1c([C@@H](C)NCc2ccccc2C(F)(F)F)cnn1C ZINC000035276633 172096474 /nfs/dbraw/zinc/09/64/74/172096474.db2.gz BSZKNYVQCYZKJT-SNVBAGLBSA-N 0 1 297.324 3.598 20 0 CHADMN C[C@H](N[C@@H]1CSCc2ccccc21)c1ccncc1 ZINC000037217963 173035803 /nfs/dbraw/zinc/03/58/03/173035803.db2.gz VILUYZOJGZKFRP-BLLLJJGKSA-N 0 1 270.401 3.720 20 0 CHADMN CC[C@@H](NCc1ccnc(C)n1)c1cccc(Cl)c1 ZINC000038037410 174037221 /nfs/dbraw/zinc/03/72/21/174037221.db2.gz VETAGYIUAXCZLM-OAHLLOKOSA-N 0 1 275.783 3.679 20 0 CHADMN c1ccc2c(c1)OCCC[C@@H]2NCc1ccc2c(n1)CCC2 ZINC000575147004 335072795 /nfs/dbraw/zinc/07/27/95/335072795.db2.gz NCZXKXPCFZINJI-SFHVURJKSA-N 0 1 294.398 3.574 20 0 CHADMN Cc1nocc1CN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000352869648 227378809 /nfs/dbraw/zinc/37/88/09/227378809.db2.gz XNDGAWIOBHGFPQ-DOOKAGJSSA-N 0 1 268.360 3.661 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN1CCC2(CCC2)C1 ZINC000344278893 225014282 /nfs/dbraw/zinc/01/42/82/225014282.db2.gz XYLKVNULAYMMPS-UHFFFAOYSA-N 0 1 282.387 3.535 20 0 CHADMN C[C@H](c1ccc(F)cc1)[N@H+]1CCCc2occc2C1 ZINC000344309173 225024194 /nfs/dbraw/zinc/02/41/94/225024194.db2.gz YAWSMXLTVOXLDI-GFCCVEGCSA-N 0 1 259.324 3.928 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CCCc2occc2C1 ZINC000344309173 225024197 /nfs/dbraw/zinc/02/41/97/225024197.db2.gz YAWSMXLTVOXLDI-GFCCVEGCSA-N 0 1 259.324 3.928 20 0 CHADMN Fc1ccc(C[N@H+](Cc2cncc(F)c2)CC2CC2)cc1 ZINC000344732852 225145083 /nfs/dbraw/zinc/14/50/83/225145083.db2.gz VTJIXYONUHJMBW-UHFFFAOYSA-N 0 1 288.341 3.772 20 0 CHADMN Fc1ccc(CN(Cc2cncc(F)c2)CC2CC2)cc1 ZINC000344732852 225145089 /nfs/dbraw/zinc/14/50/89/225145089.db2.gz VTJIXYONUHJMBW-UHFFFAOYSA-N 0 1 288.341 3.772 20 0 CHADMN OCC[C@H](NCc1cc2cc(F)ccc2o1)c1ccccc1 ZINC000344461120 225065891 /nfs/dbraw/zinc/06/58/91/225065891.db2.gz NQEUFRNLNWHJLR-KRWDZBQOSA-N 0 1 299.345 3.785 20 0 CHADMN Cc1ccc2nc(NC(=O)C[C@@H]3C=CCCC3)[nH]c2c1 ZINC000344522945 225077827 /nfs/dbraw/zinc/07/78/27/225077827.db2.gz LJQHPBVLCITNHM-GFCCVEGCSA-N 0 1 269.348 3.556 20 0 CHADMN Cc1nnc(CN2CC[C@H](c3ccccc3)C2(C)C)s1 ZINC000334666401 225270655 /nfs/dbraw/zinc/27/06/55/225270655.db2.gz LIQHQXOJZVFBLS-CQSZACIVSA-N 0 1 287.432 3.615 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cnccc1C)CCCO2 ZINC000334668848 225240387 /nfs/dbraw/zinc/24/03/87/225240387.db2.gz TVAVBTNMKMIAQJ-KRWDZBQOSA-N 0 1 282.387 3.702 20 0 CHADMN COc1ccncc1CNC(C)(C)c1ccc(Cl)cc1 ZINC000346978317 226003002 /nfs/dbraw/zinc/00/30/02/226003002.db2.gz IUJWWMJAEDTNSA-UHFFFAOYSA-N 0 1 290.794 3.769 20 0 CHADMN COCCN(Cc1cccc(C)n1)[C@@H](C)c1ccccc1 ZINC000347352410 226126598 /nfs/dbraw/zinc/12/65/98/226126598.db2.gz DCWGYJHWMFULLZ-INIZCTEOSA-N 0 1 284.403 3.600 20 0 CHADMN Cc1cccc(CN(Cc2cccc(F)c2)C(C)C)n1 ZINC000347373825 226138754 /nfs/dbraw/zinc/13/87/54/226138754.db2.gz YKKHFIIXXWUEEP-UHFFFAOYSA-N 0 1 272.367 3.940 20 0 CHADMN Cc1nnc(CN2CC[C@H](C(C)(C)C)C[C@@H]2C)n1C1CC1 ZINC000347610040 226199016 /nfs/dbraw/zinc/19/90/16/226199016.db2.gz ZHAZUJSZARBFOY-JSGCOSHPSA-N 0 1 290.455 3.568 20 0 CHADMN CCc1oc2ccccc2c1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000347636345 226207101 /nfs/dbraw/zinc/20/71/01/226207101.db2.gz ZNCVPPONCSRKQX-BETUJISGSA-N 0 1 273.376 3.604 20 0 CHADMN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1nccs1 ZINC000347591401 226211242 /nfs/dbraw/zinc/21/12/42/226211242.db2.gz ZMRPNVVHXSCKRB-RYUDHWBXSA-N 0 1 252.427 3.790 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000575188219 335077775 /nfs/dbraw/zinc/07/77/75/335077775.db2.gz OXEAETUHMRHQMH-AWEZNQCLSA-N 0 1 299.370 3.530 20 0 CHADMN Clc1cnc(CN[C@@H]2C[C@H]2Cc2ccccc2)s1 ZINC000349619278 226789375 /nfs/dbraw/zinc/78/93/75/226789375.db2.gz ZICKCKKXCYINIE-VXGBXAGGSA-N 0 1 278.808 3.517 20 0 CHADMN Cc1nccc(N2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1Cl ZINC000336420169 227000204 /nfs/dbraw/zinc/00/02/04/227000204.db2.gz ZWOYJZIVLNFGFW-PWSUYJOCSA-N 0 1 272.726 3.525 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@@H](Cc3ccccc3)[C@H]2C)o1 ZINC000350480234 227022886 /nfs/dbraw/zinc/02/28/86/227022886.db2.gz PYKWLVBPPAESFZ-YCPHGPKFSA-N 0 1 299.418 3.646 20 0 CHADMN C[C@@H](N[C@H]1CCCOc2ccc(F)cc21)c1cncs1 ZINC000336464355 227038401 /nfs/dbraw/zinc/03/84/01/227038401.db2.gz KIQWSDIAUXHUSW-MFKMUULPSA-N 0 1 292.379 3.847 20 0 CHADMN Cc1cnc([C@@H](C)N2CC[C@@H](c3ccc(F)cc3)C2)o1 ZINC000336484814 227057036 /nfs/dbraw/zinc/05/70/36/227057036.db2.gz VTIQUNZQQDEFCQ-TZMCWYRMSA-N 0 1 274.339 3.673 20 0 CHADMN Cc1oc2ccccc2c1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000354716687 227080720 /nfs/dbraw/zinc/08/07/20/227080720.db2.gz LWNZAIIMSGOPEQ-OALUTQOASA-N 0 1 297.398 3.885 20 0 CHADMN Cc1nc(CN2CCC(c3ccncc3)CC2)c(C)s1 ZINC000336514820 227081245 /nfs/dbraw/zinc/08/12/45/227081245.db2.gz JUOWKXDQFOKYIH-UHFFFAOYSA-N 0 1 287.432 3.535 20 0 CHADMN Cc1ccc(-c2cnc(CN[C@@H]3CCC3(C)C)o2)cc1 ZINC000575192948 335078779 /nfs/dbraw/zinc/07/87/79/335078779.db2.gz SMKYEMZGGOFXMO-OAHLLOKOSA-N 0 1 270.376 3.928 20 0 CHADMN C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000352625791 227118455 /nfs/dbraw/zinc/11/84/55/227118455.db2.gz JKLZAQPARQGQEX-LLVKDONJSA-N 0 1 297.333 3.519 20 0 CHADMN Cc1oc2ccccc2c1CN(C)Cc1ccoc1 ZINC000352649709 227135870 /nfs/dbraw/zinc/13/58/70/227135870.db2.gz NOGSKWWSEUSLDM-UHFFFAOYSA-N 0 1 255.317 3.966 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000336598436 227149350 /nfs/dbraw/zinc/14/93/50/227149350.db2.gz KOTSJKDMFQSTTI-OCCSQVGLSA-N 0 1 284.350 3.584 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000336598434 227149534 /nfs/dbraw/zinc/14/95/34/227149534.db2.gz KOTSJKDMFQSTTI-GXTWGEPZSA-N 0 1 284.350 3.584 20 0 CHADMN Cc1ccoc1CN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000352682664 227157688 /nfs/dbraw/zinc/15/76/88/227157688.db2.gz QNAZALVAJGAEMY-QGZVFWFLSA-N 0 1 285.387 3.769 20 0 CHADMN Cc1cc(Cl)cc(CN(C)[C@H](C)c2cnn(C)c2)c1 ZINC000352766127 227200351 /nfs/dbraw/zinc/20/03/51/227200351.db2.gz LDZSMUCJSMPDJT-GFCCVEGCSA-N 0 1 277.799 3.575 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN[C@@H]1CSC[C@@H]1C ZINC000352799883 227237679 /nfs/dbraw/zinc/23/76/79/227237679.db2.gz NFZZACGEJPPAEP-TVQRCGJNSA-N 0 1 294.445 3.553 20 0 CHADMN CCn1cncc1CN[C@@H](c1ccc(F)cc1F)C(C)C ZINC000417939121 227240866 /nfs/dbraw/zinc/24/08/66/227240866.db2.gz KBSCBOXDKBVALG-MRXNPFEDSA-N 0 1 293.361 3.668 20 0 CHADMN Cc1cccc([C@@H](N[C@H]2COC(C)(C)C2)c2ccccn2)c1 ZINC000417967455 227255070 /nfs/dbraw/zinc/25/50/70/227255070.db2.gz OJNCRDMTVZPCBH-SJLPKXTDSA-N 0 1 296.414 3.637 20 0 CHADMN CCn1cncc1CN1CC=C(c2cccc(C)c2)CC1 ZINC000417992821 227398827 /nfs/dbraw/zinc/39/88/27/227398827.db2.gz WXFCFIDELFTAIH-UHFFFAOYSA-N 0 1 281.403 3.501 20 0 CHADMN FC(F)[C@H]1C[C@H]1NCc1ccc(Sc2ccccn2)o1 ZINC000353489501 228110457 /nfs/dbraw/zinc/11/04/57/228110457.db2.gz CEYZDBYFWGCYDP-WDEREUQCSA-N 0 1 296.342 3.569 20 0 CHADMN FC(F)[C@@H]1C[C@H]1NCc1ccc(Sc2ccccn2)o1 ZINC000353489498 228110600 /nfs/dbraw/zinc/11/06/00/228110600.db2.gz CEYZDBYFWGCYDP-GHMZBOCLSA-N 0 1 296.342 3.569 20 0 CHADMN CSCc1cnc(CN(C)[C@@H](C)C2CCC2)s1 ZINC000353521007 228114028 /nfs/dbraw/zinc/11/40/28/228114028.db2.gz QTWAPIBMWORXGK-JTQLQIEISA-N 0 1 270.467 3.627 20 0 CHADMN C[C@H]1C[C@H](c2nc(C3(N)CCCCC3)no2)C[C@@H](C)C1 ZINC000331695530 228119099 /nfs/dbraw/zinc/11/90/99/228119099.db2.gz UNJNDZAOPFSUAI-ITGUQSILSA-N 0 1 277.412 3.727 20 0 CHADMN C[C@H](NCc1cc(F)ccc1F)c1ccc2n[nH]cc2c1 ZINC000353114340 228060686 /nfs/dbraw/zinc/06/06/86/228060686.db2.gz VRYHKBJOXSWZAY-JTQLQIEISA-N 0 1 287.313 3.692 20 0 CHADMN c1nc(-c2ccccc2)[nH]c1CNc1cc(C2CC2)ccn1 ZINC000353128029 228061509 /nfs/dbraw/zinc/06/15/09/228061509.db2.gz SSLPQSLMNCBWPJ-UHFFFAOYSA-N 0 1 290.370 3.961 20 0 CHADMN CCc1nnc(CN[C@H](C)CCC2CCCC2)s1 ZINC000353555586 228119895 /nfs/dbraw/zinc/11/98/95/228119895.db2.gz CWXUKTHFBHVFHJ-LLVKDONJSA-N 0 1 267.442 3.549 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(Cl)s2)cc1O ZINC000353245489 228074260 /nfs/dbraw/zinc/07/42/60/228074260.db2.gz XOUKZLMZHZSKLB-SECBINFHSA-N 0 1 297.807 3.967 20 0 CHADMN Cc1cncc(CN[C@@H](C)c2nccc3ccccc32)c1 ZINC000353264725 228076116 /nfs/dbraw/zinc/07/61/16/228076116.db2.gz LMKABFFWKWFOSW-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN C[C@H]1CCN(Cc2cc(O)cc(C(F)(F)F)c2)[C@H]1C ZINC000356109785 228124559 /nfs/dbraw/zinc/12/45/59/228124559.db2.gz AKTRWRVQBXAVAC-UWVGGRQHSA-N 0 1 273.298 3.641 20 0 CHADMN Cc1cc([C@H](C)N[C@H](CC(F)(F)F)C(C)C)no1 ZINC000353648473 228138607 /nfs/dbraw/zinc/13/86/07/228138607.db2.gz ZGNINDJFKZQQHS-GXSJLCMTSA-N 0 1 264.291 3.611 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2CCC(C)(C)C2)no1 ZINC000332143166 228149611 /nfs/dbraw/zinc/14/96/11/228149611.db2.gz NUHWBGVGTQLLFF-CYBMUJFWSA-N 0 1 285.391 3.713 20 0 CHADMN C[C@@H]1c2ccccc2CN1Cc1ccc2c[nH]nc2c1 ZINC000353851745 228158774 /nfs/dbraw/zinc/15/87/74/228158774.db2.gz AITTZTUXWUEFHT-GFCCVEGCSA-N 0 1 263.344 3.640 20 0 CHADMN OC[C@@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccsc1 ZINC000351978832 228171060 /nfs/dbraw/zinc/17/10/60/228171060.db2.gz AVIVHMHFYZYYIK-HUUCEWRRSA-N 0 1 293.819 3.712 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2ccc3ncccc3c2)on1 ZINC000352079757 228180953 /nfs/dbraw/zinc/18/09/53/228180953.db2.gz OXRMNBQZZQZAOS-QGZVFWFLSA-N 0 1 293.370 3.868 20 0 CHADMN Cc1cnccc1CN1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000336225896 228217813 /nfs/dbraw/zinc/21/78/13/228217813.db2.gz BJGAJPXPDPZDIP-DGCLKSJQSA-N 0 1 272.314 3.553 20 0 CHADMN Cn1ccc(CN2CCCCC[C@@H]2c2ccccc2)n1 ZINC000352310305 228218653 /nfs/dbraw/zinc/21/86/53/228218653.db2.gz IPDAFWSQAGXUSZ-QGZVFWFLSA-N 0 1 269.392 3.537 20 0 CHADMN c1ccc2cc(CN3CCOC4(CCC4)C3)ccc2c1 ZINC000179590020 260056383 /nfs/dbraw/zinc/05/63/83/260056383.db2.gz WYGRCBAPWWAUMJ-UHFFFAOYSA-N 0 1 267.372 3.595 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(N3CCCC3)nc2)cc1 ZINC000179602089 260057904 /nfs/dbraw/zinc/05/79/04/260057904.db2.gz OIZZSJKEBLFNAM-UHFFFAOYSA-N 0 1 295.430 3.622 20 0 CHADMN c1[nH]c(-c2ccccc2)nc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000179612279 260058537 /nfs/dbraw/zinc/05/85/37/260058537.db2.gz APKNEWNCXLHJGH-YOEHRIQHSA-N 0 1 281.403 3.841 20 0 CHADMN c1[nH]c(-c2ccccc2)nc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000179612267 260058882 /nfs/dbraw/zinc/05/88/82/260058882.db2.gz APKNEWNCXLHJGH-PBHICJAKSA-N 0 1 281.403 3.841 20 0 CHADMN C[C@H](CCC1CC1)NCc1ncc(Br)s1 ZINC000308829691 260063265 /nfs/dbraw/zinc/06/32/65/260063265.db2.gz FVUZNFLSMPWEBB-MRVPVSSYSA-N 0 1 289.242 3.574 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1ccc(C)cc1)CCO2 ZINC000037214599 260074551 /nfs/dbraw/zinc/07/45/51/260074551.db2.gz DSZIEKCPEQIIIM-KRWDZBQOSA-N 0 1 283.371 3.617 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](C)NCc1cccnc1 ZINC000037232165 260076418 /nfs/dbraw/zinc/07/64/18/260076418.db2.gz IAUPGSSQYGWIMI-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN Cc1ccc([C@@H](NC[C@@H](C)O)c2ccccc2Cl)cc1 ZINC000179952810 260081875 /nfs/dbraw/zinc/08/18/75/260081875.db2.gz LTHAOCLZHPSLTG-CXAGYDPISA-N 0 1 289.806 3.708 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1nccn1CC(C)C)[C@H](C)C2 ZINC000180628641 260107876 /nfs/dbraw/zinc/10/78/76/260107876.db2.gz QAHORBNTLAVKBG-DNVCBOLYSA-N 0 1 297.446 3.871 20 0 CHADMN CCc1ccc([C@H](C)NCc2cccnc2OC)cc1 ZINC000037650515 260115072 /nfs/dbraw/zinc/11/50/72/260115072.db2.gz FOPPSJAUMDCMKY-ZDUSSCGKSA-N 0 1 270.376 3.503 20 0 CHADMN CCCN[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000070139896 260151941 /nfs/dbraw/zinc/15/19/41/260151941.db2.gz KPDVWHLXPKVPDS-SECBINFHSA-N 0 1 299.296 3.816 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc2ccccc21)c1nccn1C ZINC000070443623 260157729 /nfs/dbraw/zinc/15/77/29/260157729.db2.gz RQUVFJMHJVNHAS-ZIAGYGMSSA-N 0 1 279.387 3.985 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc2ccccc21)c1nccn1C ZINC000070443622 260157757 /nfs/dbraw/zinc/15/77/57/260157757.db2.gz RQUVFJMHJVNHAS-UONOGXRCSA-N 0 1 279.387 3.985 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc3[nH]ccc32)o1 ZINC000070938659 260158507 /nfs/dbraw/zinc/15/85/07/260158507.db2.gz OYVXGSUIKPNDDJ-LBPRGKRZSA-N 0 1 254.333 3.920 20 0 CHADMN CC(C)(C)[C@H](NCc1ccc(CO)o1)c1ccc(F)cc1 ZINC000077897886 260167396 /nfs/dbraw/zinc/16/73/96/260167396.db2.gz VDZVUSNNOUAARD-MRXNPFEDSA-N 0 1 291.366 3.788 20 0 CHADMN CC(C)(C)[C@@H](NCc1ccc(CO)o1)c1ccc(F)cc1 ZINC000077897887 260167452 /nfs/dbraw/zinc/16/74/52/260167452.db2.gz VDZVUSNNOUAARD-INIZCTEOSA-N 0 1 291.366 3.788 20 0 CHADMN COc1ccc(F)cc1[C@H](C)NCc1sc(C)nc1C ZINC000080693664 260181512 /nfs/dbraw/zinc/18/15/12/260181512.db2.gz PWBKDYDXYGFWJL-VIFPVBQESA-N 0 1 294.395 3.758 20 0 CHADMN C[C@@H](NCc1ccc(CO)o1)c1cccc(C(F)(F)F)c1 ZINC000081554902 260183123 /nfs/dbraw/zinc/18/31/23/260183123.db2.gz CLEBGWBHUHKDNI-SNVBAGLBSA-N 0 1 299.292 3.642 20 0 CHADMN CO[C@@H]([C@H](C)NCc1cc(Cl)sc1Cl)C1CC1 ZINC000312629735 260185589 /nfs/dbraw/zinc/18/55/89/260185589.db2.gz RQYPYUJKVZWFMM-CPCISQLKSA-N 0 1 294.247 3.958 20 0 CHADMN Cc1ccoc1CN(C)CCCC(=O)c1ccccc1 ZINC000312645545 260187035 /nfs/dbraw/zinc/18/70/35/260187035.db2.gz DUEBAOHOXFKSQO-UHFFFAOYSA-N 0 1 271.360 3.683 20 0 CHADMN C[C@H]1C[C@@H](NCc2cc3c(s2)CCCC3)c2nccn21 ZINC000517510021 260190614 /nfs/dbraw/zinc/19/06/14/260190614.db2.gz XGZOLWGRYKJLPQ-SMDDNHRTSA-N 0 1 287.432 3.619 20 0 CHADMN COc1ccc(OCCNCc2ccsc2Cl)cc1 ZINC000312772631 260199506 /nfs/dbraw/zinc/19/95/06/260199506.db2.gz UKEJMDGSSOAEEJ-UHFFFAOYSA-N 0 1 297.807 3.579 20 0 CHADMN C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1 ZINC000525488224 260200636 /nfs/dbraw/zinc/20/06/36/260200636.db2.gz GVNAHWZBCFHKLI-CQSZACIVSA-N 0 1 289.806 3.723 20 0 CHADMN COC[C@H](N[C@@H](c1ccco1)c1ccccc1)C(C)C ZINC000086697379 260209370 /nfs/dbraw/zinc/20/93/70/260209370.db2.gz KIEIIAIHFIVGQF-DOTOQJQBSA-N 0 1 273.376 3.630 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809579 260210329 /nfs/dbraw/zinc/21/03/29/260210329.db2.gz AJZGHCICGGYNIZ-ZBFHGGJFSA-N 0 1 275.392 3.715 20 0 CHADMN COc1ccc(CN2CCC[C@@H]2c2cccn2C)cc1F ZINC000057622653 260225528 /nfs/dbraw/zinc/22/55/28/260225528.db2.gz SBXHLHPVUYHELQ-MRXNPFEDSA-N 0 1 288.366 3.510 20 0 CHADMN Cc1cc([C@H](C)NCc2cncn2C(C)C)c(C)s1 ZINC000090208316 260239012 /nfs/dbraw/zinc/23/90/12/260239012.db2.gz JLPLAERSGFQTRI-LBPRGKRZSA-N 0 1 277.437 3.993 20 0 CHADMN COc1cccc2cc([C@@H](C)NCc3cnccc3C)oc21 ZINC000317525354 260249238 /nfs/dbraw/zinc/24/92/38/260249238.db2.gz GGXAMGNNVSCGOY-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN Fc1cnccc1CNC1(c2ccccc2)CCCC1 ZINC000449154118 260259739 /nfs/dbraw/zinc/25/97/39/260259739.db2.gz HEZPGGHOTSMICJ-UHFFFAOYSA-N 0 1 270.351 3.780 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2cnccn2)c(C)s1 ZINC000070478901 260267204 /nfs/dbraw/zinc/26/72/04/260267204.db2.gz UJSXSPMVQVWAFJ-WDEREUQCSA-N 0 1 261.394 3.567 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(F)cn2)cc1 ZINC000092196158 260268047 /nfs/dbraw/zinc/26/80/47/260268047.db2.gz JRVGZTRFQYRKGO-STQMWFEESA-N 0 1 258.340 3.941 20 0 CHADMN CCCOc1ccc([C@H](C)NCc2c(C)noc2C)cc1 ZINC000092328738 260269245 /nfs/dbraw/zinc/26/92/45/260269245.db2.gz VJVYLDOYMUTMBP-LBPRGKRZSA-N 0 1 288.391 3.931 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cccc(C)c1F ZINC000449209220 260295450 /nfs/dbraw/zinc/29/54/50/260295450.db2.gz UJNUDUCWPRGCRH-ZDUSSCGKSA-N 0 1 272.367 3.942 20 0 CHADMN CC/C=C/CC[N@@H+](CCC(=O)[O-])Cc1cccc(F)c1F ZINC000517949047 260324956 /nfs/dbraw/zinc/32/49/56/260324956.db2.gz QBHJTXFCMJOEGT-ONEGZZNKSA-N 0 1 297.345 3.598 20 0 CHADMN Cc1noc([C@H](C)N[C@H]2CC[C@@H](CCC(C)C)C2)n1 ZINC000449280598 260349468 /nfs/dbraw/zinc/34/94/68/260349468.db2.gz XZOOETBPLYPAMV-YUTCNCBUSA-N 0 1 265.401 3.634 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2NCc1ccc(Cl)o1 ZINC000518277689 260367655 /nfs/dbraw/zinc/36/76/55/260367655.db2.gz OEUOPUQSMJIRMB-CYBMUJFWSA-N 0 1 265.715 3.849 20 0 CHADMN C[C@H](NCc1ccoc1)c1ccc(Br)s1 ZINC000129078281 260381856 /nfs/dbraw/zinc/38/18/56/260381856.db2.gz ABUIMTHBJCDZBP-QMMMGPOBSA-N 0 1 286.194 3.954 20 0 CHADMN c1ccc(C[N@@H+](Cc2cccc3c2NCC3)C2CC2)cc1 ZINC000130490523 260396750 /nfs/dbraw/zinc/39/67/50/260396750.db2.gz VQVVAVDTIXGLCU-UHFFFAOYSA-N 0 1 278.399 3.819 20 0 CHADMN CN(CCc1nccs1)Cc1cnc(C(C)(C)C)s1 ZINC000093844025 260525811 /nfs/dbraw/zinc/52/58/11/260525811.db2.gz XAGLASOJLACKLI-UHFFFAOYSA-N 0 1 295.477 3.572 20 0 CHADMN CC(C)c1ccc(C[NH2+][C@H](C(=O)[O-])c2cccs2)cc1 ZINC000426782665 260535818 /nfs/dbraw/zinc/53/58/18/260535818.db2.gz HJTCRWBMDMYDNW-HNNXBMFYSA-N 0 1 289.400 3.787 20 0 CHADMN CC[C@H](N[C@H](C)c1cnc(C)cn1)c1ccc(OC)cc1 ZINC000428305353 260759350 /nfs/dbraw/zinc/75/93/50/260759350.db2.gz KCBQKLHJKCWGTD-CJNGLKHVSA-N 0 1 285.391 3.596 20 0 CHADMN C[C@@H]1CCC[C@H](C)N(Cc2noc(-c3ccccc3)n2)C1 ZINC000525640924 260787092 /nfs/dbraw/zinc/78/70/92/260787092.db2.gz JSRJYNOHPCEDPW-KGLIPLIRSA-N 0 1 285.391 3.747 20 0 CHADMN CCC[C@@H](NCc1ccco1)c1ccc(OC)cc1 ZINC000152026441 261058419 /nfs/dbraw/zinc/05/84/19/261058419.db2.gz QDEVHIDJOBCQQI-MRXNPFEDSA-N 0 1 259.349 3.919 20 0 CHADMN Cc1noc(C)c1C[C@@H](C)N[C@@H](C)c1c(F)cccc1F ZINC000152150851 261060303 /nfs/dbraw/zinc/06/03/03/261060303.db2.gz VEUDDMLKLYJKDW-KOLCDFICSA-N 0 1 294.345 3.851 20 0 CHADMN CCCCc1noc(CN(CC)[C@@H]2CCCC[C@@H]2C)n1 ZINC000444673202 261062220 /nfs/dbraw/zinc/06/22/20/261062220.db2.gz IJXZANCBCPOIOI-UONOGXRCSA-N 0 1 279.428 3.813 20 0 CHADMN Cc1cnc([C@@H](C)N(C)CC2(c3ccccc3)CC2)o1 ZINC000444684848 261063722 /nfs/dbraw/zinc/06/37/22/261063722.db2.gz LUPHUMKNFUAWKD-CQSZACIVSA-N 0 1 270.376 3.708 20 0 CHADMN CC[C@@](C)(NCc1ccccc1C)c1nccs1 ZINC000152666928 261067145 /nfs/dbraw/zinc/06/71/45/261067145.db2.gz PGFNLKBSCLFJEK-OAHLLOKOSA-N 0 1 260.406 3.867 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccc(C)o2)cc1F ZINC000152808466 261069617 /nfs/dbraw/zinc/06/96/17/261069617.db2.gz YKSHYBNVSKMXQQ-LBPRGKRZSA-N 0 1 277.339 3.977 20 0 CHADMN CSc1cc(C)ccc1CNCc1occc1C ZINC000153542982 261079622 /nfs/dbraw/zinc/07/96/22/261079622.db2.gz LZYHPPOHPJZFON-UHFFFAOYSA-N 0 1 261.390 3.908 20 0 CHADMN COc1ccc(Cl)cc1[C@H](C)NCc1cccc(O)c1 ZINC000154447175 261091530 /nfs/dbraw/zinc/09/15/30/261091530.db2.gz BHIVNCUUHLEWNW-NSHDSACASA-N 0 1 291.778 3.905 20 0 CHADMN COCCN(Cc1ccco1)Cc1cccc2ccoc21 ZINC000449014644 261095789 /nfs/dbraw/zinc/09/57/89/261095789.db2.gz QZOVBYSONJWFQF-UHFFFAOYSA-N 0 1 285.343 3.674 20 0 CHADMN C[C@@H]1CCN(Cc2ncc(C(C)(C)C)s2)[C@H]1C ZINC000448333012 261116622 /nfs/dbraw/zinc/11/66/22/261116622.db2.gz RIGQSCBWNUJKGY-MNOVXSKESA-N 0 1 252.427 3.671 20 0 CHADMN COC1CCC(N(C)Cc2ncc(C(C)(C)C)s2)CC1 ZINC000448332760 261116721 /nfs/dbraw/zinc/11/67/21/261116721.db2.gz OWBSSBFTLTXGEX-UHFFFAOYSA-N 0 1 296.480 3.830 20 0 CHADMN C[C@@H]1CCN(Cc2ncc(C(C)(C)C)s2)C[C@@H]1C ZINC000448337056 261118292 /nfs/dbraw/zinc/11/82/92/261118292.db2.gz LGWYNEPYBHIFIW-NEPJUHHUSA-N 0 1 266.454 3.919 20 0 CHADMN COCCN(Cc1ncc(C(C)(C)C)s1)CC(C)C ZINC000448346388 261122931 /nfs/dbraw/zinc/12/29/31/261122931.db2.gz YBGAFLFHQDRARX-UHFFFAOYSA-N 0 1 284.469 3.545 20 0 CHADMN CCOCCO[C@H]1CCN([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000157850950 261153876 /nfs/dbraw/zinc/15/38/76/261153876.db2.gz MDGUUBQLGIPZSS-BBRMVZONSA-N 0 1 297.826 3.528 20 0 CHADMN O=C(c1ccc(Cl)cc1O)N1CC2(CC2)c2ccccc21 ZINC000172433514 261153970 /nfs/dbraw/zinc/15/39/70/261153970.db2.gz ZURZBDDUYMODFS-UHFFFAOYSA-N 0 1 299.757 3.738 20 0 CHADMN CC[C@H](NCc1cccc(OC)n1)c1cccc(Cl)c1 ZINC000173389068 261162721 /nfs/dbraw/zinc/16/27/21/261162721.db2.gz PKMCULGCZNYVFE-HNNXBMFYSA-N 0 1 290.794 3.985 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)C3CC=CC3)c2C1 ZINC000158341515 261163965 /nfs/dbraw/zinc/16/39/65/261163965.db2.gz CFZLRTHXKNWVQJ-UHFFFAOYSA-N 0 1 284.403 3.563 20 0 CHADMN CC[C@@]1(C)CCCN([C@H](C)C(=O)Nc2ccccc2C)C1 ZINC000464772559 261225303 /nfs/dbraw/zinc/22/53/03/261225303.db2.gz HLOCEZQXFGFVLH-QAPCUYQASA-N 0 1 288.435 3.834 20 0 CHADMN CCC[C@H](C)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000161531390 261249914 /nfs/dbraw/zinc/24/99/14/261249914.db2.gz SDDKJADBNCOYAI-VIFPVBQESA-N 0 1 275.352 3.661 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)C3(C)CCC3)c2C1 ZINC000162144373 261271170 /nfs/dbraw/zinc/27/11/70/261271170.db2.gz QBCJHDLOPJKZST-UHFFFAOYSA-N 0 1 286.419 3.787 20 0 CHADMN CC(C)Cc1ncc(CN[C@@H](C)c2cccc(O)c2)s1 ZINC000162512676 261283894 /nfs/dbraw/zinc/28/38/94/261283894.db2.gz CPDZJEHXOGUYCT-LBPRGKRZSA-N 0 1 290.432 3.898 20 0 CHADMN Cc1nc(CCN(C)Cc2ccc(Cl)s2)cs1 ZINC000163378961 261314332 /nfs/dbraw/zinc/31/43/32/261314332.db2.gz DHROZQQDLIRIMD-UHFFFAOYSA-N 0 1 286.853 3.841 20 0 CHADMN CO[C@@H](C)c1nc(CNCCC2CCCCC2)cs1 ZINC000361584608 261350487 /nfs/dbraw/zinc/35/04/87/261350487.db2.gz OCBRLDKSQSLETN-LBPRGKRZSA-N 0 1 282.453 3.911 20 0 CHADMN Cc1nc(CN(C)[C@@H](C)Cc2ccc(O)cc2)sc1C ZINC000177994337 261372751 /nfs/dbraw/zinc/37/27/51/261372751.db2.gz LEUAMWYAWPMJSI-NSHDSACASA-N 0 1 290.432 3.529 20 0 CHADMN CCS[C@@H](C)c1noc(CN(CC(C)C)C(C)C)n1 ZINC000178335230 261385730 /nfs/dbraw/zinc/38/57/30/261385730.db2.gz FDHRPDCVCVZMOG-LBPRGKRZSA-N 0 1 285.457 3.750 20 0 CHADMN CN(Cc1nc(C2CCCC2)no1)C1CCCCCC1 ZINC000178573960 261398694 /nfs/dbraw/zinc/39/86/94/261398694.db2.gz JAWIPANJLYQBEE-UHFFFAOYSA-N 0 1 277.412 3.882 20 0 CHADMN Cc1csc(C2(NC/C=C/c3ccncc3)CCCC2)n1 ZINC000487276557 261678025 /nfs/dbraw/zinc/67/80/25/261678025.db2.gz QQNWYBSAVIMVGT-SNAWJCMRSA-N 0 1 299.443 3.919 20 0 CHADMN Cc1c([C@@H](C)N[C@@H](C)c2ccc3ccccc3n2)cnn1C ZINC000177963781 261722196 /nfs/dbraw/zinc/72/21/96/261722196.db2.gz XURJKOUCZZQADL-OLZOCXBDSA-N 0 1 294.402 3.689 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccccn1 ZINC000179467694 261789481 /nfs/dbraw/zinc/78/94/81/261789481.db2.gz WQEZAEIHPOMVDD-FHLIZLRMSA-N 0 1 282.387 3.653 20 0 CHADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)[C@H]1CC=CCC1 ZINC000179864431 261820558 /nfs/dbraw/zinc/82/05/58/261820558.db2.gz DSBYBUKESBIAQI-VIFPVBQESA-N 0 1 291.301 3.795 20 0 CHADMN COc1cccc([C@@H]2CCCN2Cc2cnn(C(C)C)c2)c1 ZINC000179885838 261821942 /nfs/dbraw/zinc/82/19/42/261821942.db2.gz ANJZOPBIQSCCHO-SFHVURJKSA-N 0 1 299.418 3.810 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2C)C2CC2)on1 ZINC000180095655 261839478 /nfs/dbraw/zinc/83/94/78/261839478.db2.gz DERKMXYAZASTBX-INIZCTEOSA-N 0 1 256.349 3.532 20 0 CHADMN C[C@@H](O)c1ccc(CN[C@@H](C)c2cccc(F)c2F)cc1 ZINC000183233051 261967762 /nfs/dbraw/zinc/96/77/62/261967762.db2.gz ZJAAWOILSPSYCW-NWDGAFQWSA-N 0 1 291.341 3.869 20 0 CHADMN C[C@@H](NCc1nc(C(C)(C)C)no1)[C@H](C)c1ccccc1 ZINC000183351990 261971316 /nfs/dbraw/zinc/97/13/16/261971316.db2.gz CEMVWRSUVQXTTQ-QWHCGFSZSA-N 0 1 287.407 3.649 20 0 CHADMN CC1(C)CCCN1Cc1nnc(-c2ccccc2)s1 ZINC000184198977 262011801 /nfs/dbraw/zinc/01/18/01/262011801.db2.gz LXKPABAMQUTRDI-UHFFFAOYSA-N 0 1 273.405 3.580 20 0 CHADMN CCN(Cc1cccc(Cl)c1)[C@H](C)c1cnccn1 ZINC000184448141 262020571 /nfs/dbraw/zinc/02/05/71/262020571.db2.gz DXCGDDJYTTZZAE-GFCCVEGCSA-N 0 1 275.783 3.713 20 0 CHADMN CC(C)(C)c1ccc(CN[C@@H](CCO)c2ccco2)cc1 ZINC000184504662 262021571 /nfs/dbraw/zinc/02/15/71/262021571.db2.gz DQZKNQSDRSWCJD-INIZCTEOSA-N 0 1 287.403 3.790 20 0 CHADMN Cc1cc(C)cc(C2=CCN([C@H](C)c3cnccn3)CC2)c1 ZINC000184709209 262026968 /nfs/dbraw/zinc/02/69/68/262026968.db2.gz OTPKSXIAUSFADR-MRXNPFEDSA-N 0 1 293.414 3.944 20 0 CHADMN CC[C@H](C)[C@@H](C)NCc1ncc(-c2ccccc2)cn1 ZINC000186049854 262077097 /nfs/dbraw/zinc/07/70/97/262077097.db2.gz QHVUAFNUVZXVCS-UONOGXRCSA-N 0 1 269.392 3.668 20 0 CHADMN C[C@H](CCC1CC1)NCc1ncc(-c2ccccc2)cn1 ZINC000186506645 262095667 /nfs/dbraw/zinc/09/56/67/262095667.db2.gz ZMWRSKYAOBOOPG-CQSZACIVSA-N 0 1 281.403 3.812 20 0 CHADMN Cc1ccc([C@@H](N[C@@H](CCO)c2ccco2)C2CC2)cc1 ZINC000186549513 262097711 /nfs/dbraw/zinc/09/77/11/262097711.db2.gz NIQWTWPCCWMKRN-FUHWJXTLSA-N 0 1 285.387 3.752 20 0 CHADMN OCC[C@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccco1 ZINC000186562832 262098674 /nfs/dbraw/zinc/09/86/74/262098674.db2.gz PZOIDCDGMRHBHF-GJZGRUSLSA-N 0 1 291.778 3.634 20 0 CHADMN c1cn2c(CN3CCCC4(CC4)C3)c(C3CC3)nc2s1 ZINC000186614255 262102575 /nfs/dbraw/zinc/10/25/75/262102575.db2.gz VJZIDKIVSJNOSV-UHFFFAOYSA-N 0 1 287.432 3.649 20 0 CHADMN CO[C@@H]1C[C@H](N[C@H](c2ccccc2)c2ccccn2)C1(C)C ZINC000318920257 262118453 /nfs/dbraw/zinc/11/84/53/262118453.db2.gz XGVPVQNCYWZISF-RCCFBDPRSA-N 0 1 296.414 3.574 20 0 CHADMN CC[C@H]1C[C@]1(NCc1cncc(F)c1)c1cccc(C)c1 ZINC000500531057 262156658 /nfs/dbraw/zinc/15/66/58/262156658.db2.gz JIHOTUIGUNQOSL-MAUKXSAKSA-N 0 1 284.378 3.944 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2ccnn2C)c(C)s1 ZINC000192249377 262200366 /nfs/dbraw/zinc/20/03/66/262200366.db2.gz ZAOYJJDQFJLAFZ-GHMZBOCLSA-N 0 1 263.410 3.510 20 0 CHADMN Fc1ccc(CNCc2ccccc2OC(F)F)cc1F ZINC000020131558 262230361 /nfs/dbraw/zinc/23/03/61/262230361.db2.gz JLSNGNSYTPEQRK-UHFFFAOYSA-N 0 1 299.267 3.856 20 0 CHADMN Oc1cc(F)cc(CNCc2cccc(C(F)(F)F)c2)c1 ZINC000184131327 262271088 /nfs/dbraw/zinc/27/10/88/262271088.db2.gz VTEJBNQRZPMDJE-UHFFFAOYSA-N 0 1 299.267 3.840 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCC[C@@H]1c1ccccc1 ZINC000184919731 262300081 /nfs/dbraw/zinc/30/00/81/262300081.db2.gz HXIPVQIFHFAKFU-CQSZACIVSA-N 0 1 285.318 3.509 20 0 CHADMN CCc1nc([C@H](C)N[C@H]2CS[C@H](C(C)C)C2)cs1 ZINC000488449589 262325237 /nfs/dbraw/zinc/32/52/37/262325237.db2.gz OMARLFLOTSCISC-LOWVWBTDSA-N 0 1 284.494 3.886 20 0 CHADMN Oc1cccc(C[N@@H+](Cc2cccc(F)c2)C2CC2)c1 ZINC000171928281 335085257 /nfs/dbraw/zinc/08/52/57/335085257.db2.gz WAMFNDZMNQZXDA-UHFFFAOYSA-N 0 1 271.335 3.696 20 0 CHADMN Oc1cccc(CN(Cc2cccc(F)c2)C2CC2)c1 ZINC000171928281 335085258 /nfs/dbraw/zinc/08/52/58/335085258.db2.gz WAMFNDZMNQZXDA-UHFFFAOYSA-N 0 1 271.335 3.696 20 0 CHADMN C[C@H](c1ccncc1)N(C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488587246 262378920 /nfs/dbraw/zinc/37/89/20/262378920.db2.gz YKMFKKLJQQTKQT-GFCCVEGCSA-N 0 1 283.350 3.895 20 0 CHADMN Cc1cc(CNCc2ccc(Br)s2)ccn1 ZINC000391158943 262384321 /nfs/dbraw/zinc/38/43/21/262384321.db2.gz ALBRUHRFBVGFBA-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccccn2)cc1F ZINC000094836664 262471359 /nfs/dbraw/zinc/47/13/59/262471359.db2.gz VBVDWXMMLNPKOJ-QWHCGFSZSA-N 0 1 258.340 3.941 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H]2C[C@H]2c2cccc(F)c2)s1 ZINC000411544277 262698293 /nfs/dbraw/zinc/69/82/93/262698293.db2.gz UDPWEGSRWMBAAA-LEWSCRJBSA-N 0 1 276.380 3.797 20 0 CHADMN Cc1nccc(N[C@@H](C)c2nc3c(s2)CCC3)c1Cl ZINC000413392248 262762710 /nfs/dbraw/zinc/76/27/10/262762710.db2.gz IFQAQMMAGDGXDG-VIFPVBQESA-N 0 1 293.823 3.584 20 0 CHADMN C[C@H](N[C@H]1c2cccc(F)c2CC[C@@H]1C)c1ccn(C)n1 ZINC000414092274 262803426 /nfs/dbraw/zinc/80/34/26/262803426.db2.gz FGRHJBUDEWSRQX-NVGCLXPQSA-N 0 1 287.382 3.533 20 0 CHADMN C[C@@H](N[C@H]1CC(C)(C)c2ccccc21)c1cc2n(n1)CCC2 ZINC000414103720 262805502 /nfs/dbraw/zinc/80/55/02/262805502.db2.gz YJBGQZMHUUAQDR-ACJLOTCBSA-N 0 1 295.430 3.903 20 0 CHADMN Cc1ncc(CN[C@H](c2ccc(C)cc2)C2CCC2)o1 ZINC000414164248 262819617 /nfs/dbraw/zinc/81/96/17/262819617.db2.gz ANSGQHULHKDJCZ-KRWDZBQOSA-N 0 1 270.376 3.922 20 0 CHADMN COc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2F)c(F)c1 ZINC000414279802 262835105 /nfs/dbraw/zinc/83/51/05/262835105.db2.gz BMJFFGCNRSMCCF-PSOPSSQASA-N 0 1 269.335 3.766 20 0 CHADMN CCn1ccnc1NCc1csc(-c2ccc(C)cc2)n1 ZINC000414302900 262848276 /nfs/dbraw/zinc/84/82/76/262848276.db2.gz OVEONOGYYZVJTF-UHFFFAOYSA-N 0 1 298.415 3.947 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)CCCC(C)C)c1 ZINC000451895835 263000474 /nfs/dbraw/zinc/00/04/74/263000474.db2.gz UJJZZZXRVFTHPK-UHFFFAOYSA-N 0 1 277.364 3.750 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2C[C@H]2c2ccco2)o1 ZINC000414599137 263004694 /nfs/dbraw/zinc/00/46/94/263004694.db2.gz ZHJUTMBKPOYDLN-FMKGYKFTSA-N 0 1 257.333 3.642 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2CC[C@@H](C)[C@H](C)C2)n1 ZINC000414609753 263009114 /nfs/dbraw/zinc/00/91/14/263009114.db2.gz APSJLPAJPGLANT-LPWJVIDDSA-N 0 1 265.401 3.655 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(Cl)cn2)cc1C ZINC000272839490 263009296 /nfs/dbraw/zinc/00/92/96/263009296.db2.gz GISJUTIIMKZPRG-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2ccc(C(C)C)cc2O)n1 ZINC000414611964 263009450 /nfs/dbraw/zinc/00/94/50/263009450.db2.gz CKOKKZRKPXDFTO-ZDUSSCGKSA-N 0 1 289.379 3.612 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2CC[C@H](C(F)(F)F)C2)n1 ZINC000414611886 263009520 /nfs/dbraw/zinc/00/95/20/263009520.db2.gz CYUULQGVWAFGJG-UTLUCORTSA-N 0 1 291.317 3.562 20 0 CHADMN CC(C)C[C@@H](N)c1noc(/C=C\c2ccc3[nH]ccc3c2)n1 ZINC000414613207 263009620 /nfs/dbraw/zinc/00/96/20/263009620.db2.gz FTDQAABRJYGCJX-KXQLTZBTSA-N 0 1 296.374 3.767 20 0 CHADMN CCC[C@@H](c1nc([C@H](N)CC(C)C)no1)C(C)C ZINC000414618553 263012169 /nfs/dbraw/zinc/01/21/69/263012169.db2.gz JVVIZEYLYXAKKE-VXGBXAGGSA-N 0 1 253.390 3.655 20 0 CHADMN Cc1nc(C(C)C)ccc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000414618591 263012368 /nfs/dbraw/zinc/01/23/68/263012368.db2.gz JZLXBXFFBZQDTB-ZDUSSCGKSA-N 0 1 288.395 3.609 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H](C)CC(C)(C)C)n1 ZINC000414620982 263013189 /nfs/dbraw/zinc/01/31/89/263013189.db2.gz QMYIMJRBZDUZJP-MNOVXSKESA-N 0 1 253.390 3.655 20 0 CHADMN Cc1oc(C(C)C)cc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000414622230 263014524 /nfs/dbraw/zinc/01/45/24/263014524.db2.gz SENNFPLIWIUPDO-LBPRGKRZSA-N 0 1 277.368 3.807 20 0 CHADMN CC1(C)CCC(Cc2nc(C3(N)CCCC3)no2)CC1 ZINC000414622166 263014618 /nfs/dbraw/zinc/01/46/18/263014618.db2.gz SCFQXQKFQYNDFN-UHFFFAOYSA-N 0 1 277.412 3.557 20 0 CHADMN CCCC(=Cc1nc(C2(N)CCCC2)no1)CCC ZINC000414624878 263014815 /nfs/dbraw/zinc/01/48/15/263014815.db2.gz WHGMUXQBKFAFLF-UHFFFAOYSA-N 0 1 263.385 3.781 20 0 CHADMN Cc1cccc2c1[C@@H](C)C[C@@H]2Cc1nc(C2(N)CCC2)no1 ZINC000414625541 263016130 /nfs/dbraw/zinc/01/61/30/263016130.db2.gz ITIRRQNXSGEFBD-QWHCGFSZSA-N 0 1 297.402 3.549 20 0 CHADMN CC(C)C[C@@H](N)c1noc(CC2(C)CCCCC2)n1 ZINC000414626477 263016453 /nfs/dbraw/zinc/01/64/53/263016453.db2.gz XYRUZGXFZKMVRQ-GFCCVEGCSA-N 0 1 265.401 3.628 20 0 CHADMN NC1(c2noc([C@@H]3CCC[C@@H]3c3ccccc3)n2)CCCC1 ZINC000414628750 263016887 /nfs/dbraw/zinc/01/68/87/263016887.db2.gz OTWMCPPIBPVSCN-HUUCEWRRSA-N 0 1 297.402 3.849 20 0 CHADMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@H](C)c1cccc(Cl)c1 ZINC000414680151 263031162 /nfs/dbraw/zinc/03/11/62/263031162.db2.gz KSZIMMLRJYNQPL-NWDGAFQWSA-N 0 1 283.799 3.629 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccccc2N(C)C)oc1C ZINC000281970018 263073363 /nfs/dbraw/zinc/07/33/63/263073363.db2.gz BMIIJKMQWGBYCK-CYBMUJFWSA-N 0 1 272.392 3.813 20 0 CHADMN CC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000285050955 263089534 /nfs/dbraw/zinc/08/95/34/263089534.db2.gz OBCGCIHPNFYKPR-OAHLLOKOSA-N 0 1 255.365 3.624 20 0 CHADMN CCN1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000285050955 263089535 /nfs/dbraw/zinc/08/95/35/263089535.db2.gz OBCGCIHPNFYKPR-OAHLLOKOSA-N 0 1 255.365 3.624 20 0 CHADMN Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(C)cc1 ZINC000290637197 263118064 /nfs/dbraw/zinc/11/80/64/263118064.db2.gz YGNBGVQMBHPOSO-MRXNPFEDSA-N 0 1 269.392 3.672 20 0 CHADMN CCc1noc(C)c1CN[C@@H](c1cccs1)C1CC1 ZINC000340439385 263148689 /nfs/dbraw/zinc/14/86/89/263148689.db2.gz KQIBUEHEUSPCRP-OAHLLOKOSA-N 0 1 276.405 3.848 20 0 CHADMN Cc1ncsc1CN1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000295068040 263171684 /nfs/dbraw/zinc/17/16/84/263171684.db2.gz QSHVHEDZDFXQFZ-WPRPVWTQSA-N 0 1 278.343 3.614 20 0 CHADMN CC[C@@H](C)C[C@@H](CC)NCc1ncc(C(F)(F)F)cn1 ZINC000295068232 263171728 /nfs/dbraw/zinc/17/17/28/263171728.db2.gz QVAQBGJZQJLAIG-ZYHUDNBSSA-N 0 1 289.345 3.800 20 0 CHADMN CC1=CCC[C@@H](C)[C@@H]1CNCc1ncc(C(F)(F)F)cn1 ZINC000295069490 263171803 /nfs/dbraw/zinc/17/18/03/263171803.db2.gz QVKSUQFKMKOCED-DGCLKSJQSA-N 0 1 299.340 3.577 20 0 CHADMN Cc1cccc([C@H](C)N[C@H](C)c2ccncn2)c1C ZINC000453117061 263190964 /nfs/dbraw/zinc/19/09/64/263190964.db2.gz IVDJKDLHQYRHNA-UONOGXRCSA-N 0 1 255.365 3.505 20 0 CHADMN CC[C@@]1(CO)CCCN(CCc2c(F)cccc2Cl)C1 ZINC000187529723 263260162 /nfs/dbraw/zinc/26/01/62/263260162.db2.gz DGWMIHJASJZGMV-MRXNPFEDSA-N 0 1 299.817 3.506 20 0 CHADMN COc1ccc(F)cc1CN[C@@H](C)c1ccsc1 ZINC000187593072 263263791 /nfs/dbraw/zinc/26/37/91/263263791.db2.gz SKZVJOSXHLAURR-JTQLQIEISA-N 0 1 265.353 3.747 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H]1CCCc2ccccc21 ZINC000187677823 263266459 /nfs/dbraw/zinc/26/64/59/263266459.db2.gz LANFPCJNIQUQKW-BBRMVZONSA-N 0 1 267.376 3.513 20 0 CHADMN CN(CCC(C)(C)C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000341902940 263365137 /nfs/dbraw/zinc/36/51/37/263365137.db2.gz GKRIQNKWSIQZFA-UHFFFAOYSA-N 0 1 271.408 3.945 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1Cc1cncn1C(C)C ZINC000425333710 264010276 /nfs/dbraw/zinc/01/02/76/264010276.db2.gz FMJACGMAUDVQBN-KRWDZBQOSA-N 0 1 283.419 3.801 20 0 CHADMN CC[C@@H](O)CCNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000126264449 264201795 /nfs/dbraw/zinc/20/17/95/264201795.db2.gz UXLQJWOMQCUEBL-LLVKDONJSA-N 0 1 298.308 3.827 20 0 CHADMN CC(C)n1cncc1CN1Cc2sccc2CC1(C)C ZINC000425375264 264203944 /nfs/dbraw/zinc/20/39/44/264203944.db2.gz ZEEBXRWZLFFKDD-UHFFFAOYSA-N 0 1 289.448 3.862 20 0 CHADMN COc1ccc2oc(CN3CC(CC(F)F)C3)cc2c1 ZINC000425365121 264211301 /nfs/dbraw/zinc/21/13/01/264211301.db2.gz IVCLAESNWJHVRI-UHFFFAOYSA-N 0 1 281.302 3.528 20 0 CHADMN O[C@@H]1CCN(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000425365109 264211570 /nfs/dbraw/zinc/21/15/70/264211570.db2.gz ITZNQWPSHZJKGZ-IAGOWNOFSA-N 0 1 287.790 3.648 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@](CO)(C(C)C)C2)c(F)c1 ZINC000425366769 264212474 /nfs/dbraw/zinc/21/24/74/264212474.db2.gz GDRUDBJMLXTQEV-KRWDZBQOSA-N 0 1 297.389 3.504 20 0 CHADMN CS[C@H]1CC[C@H]1Nc1ccc(Cl)c(CN(C)C)c1 ZINC000425383031 264219094 /nfs/dbraw/zinc/21/90/94/264219094.db2.gz PCBMAKSWONQZMD-KGLIPLIRSA-N 0 1 284.856 3.708 20 0 CHADMN CO[C@@H](CN(Cc1ccco1)Cc1cccs1)C1CC1 ZINC000425390300 264222734 /nfs/dbraw/zinc/22/27/34/264222734.db2.gz WGNXEDLGIOCVGE-INIZCTEOSA-N 0 1 291.416 3.768 20 0 CHADMN C[C@@H]1CCSCCN1Cc1sccc1Cl ZINC000425958750 264226451 /nfs/dbraw/zinc/22/64/51/264226451.db2.gz OVOHYFHTDJABCB-SECBINFHSA-N 0 1 261.843 3.729 20 0 CHADMN C[C@@H]1CCCC[C@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000424856274 264232693 /nfs/dbraw/zinc/23/26/93/264232693.db2.gz USHFUKRHFIJTGB-RKDXNWHRSA-N 0 1 285.746 3.950 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc(Cc2ccccc2)no1)[C@@H]1CC1(C)C ZINC000425965862 264237957 /nfs/dbraw/zinc/23/79/57/264237957.db2.gz VDVLRVMUWVGTLW-IPYPFGDCSA-N 0 1 299.418 3.746 20 0 CHADMN CC[C@H](N[C@H](C)c1ccncc1OC)c1cccs1 ZINC000188764158 264240928 /nfs/dbraw/zinc/24/09/28/264240928.db2.gz LVDXQHFFHIMJQU-YPMHNXCESA-N 0 1 276.405 3.954 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccncc2OC)cc1 ZINC000188781293 264242270 /nfs/dbraw/zinc/24/22/70/264242270.db2.gz PQCFUUQTAKOWTN-CHWSQXEVSA-N 0 1 286.375 3.511 20 0 CHADMN Fc1ccc2c(c1)nccc2NCc1ncccc1F ZINC000127607468 264262942 /nfs/dbraw/zinc/26/29/42/264262942.db2.gz RSXPGVQNGQMECQ-UHFFFAOYSA-N 0 1 271.270 3.520 20 0 CHADMN COc1cnccc1[C@H](C)NCc1cccc(C)c1C ZINC000189573512 264305983 /nfs/dbraw/zinc/30/59/83/264305983.db2.gz YTBJAJIKQSXHDR-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CO[C@H](CN(C)[C@H](C)c1nc2ccccc2s1)C1CC1 ZINC000425428921 264309483 /nfs/dbraw/zinc/30/94/83/264309483.db2.gz XLUBSKVUVRNZPU-BXUZGUMPSA-N 0 1 290.432 3.714 20 0 CHADMN CC(C)(C)[C@@H]1CCCC[C@H]1NCc1nc(C(F)F)no1 ZINC000425422052 264312438 /nfs/dbraw/zinc/31/24/38/264312438.db2.gz WJWVPSRMHOGFDO-NXEZZACHSA-N 0 1 287.354 3.702 20 0 CHADMN CO[C@H](CN1CC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000425427341 264314856 /nfs/dbraw/zinc/31/48/56/264314856.db2.gz UIMWGXOFXHFRAO-LSDHHAIUSA-N 0 1 265.784 3.512 20 0 CHADMN Cc1cc(CN(C)[C@@H]2CC[C@@](C)(c3ccccc3)C2)no1 ZINC000189702325 264322326 /nfs/dbraw/zinc/32/23/26/264322326.db2.gz WAQKSEPLHJJDGH-QZTJIDSGSA-N 0 1 284.403 3.925 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3nc(C)ccc3c2)C[C@H](C)O1 ZINC000189800035 264326593 /nfs/dbraw/zinc/32/65/93/264326593.db2.gz OLTMZXWUINZOQV-WMLDXEAASA-N 0 1 284.403 3.543 20 0 CHADMN CCc1ccc(CN2C[C@@H](C)C[C@@H]2c2cccnc2)o1 ZINC000190000585 264344861 /nfs/dbraw/zinc/34/48/61/264344861.db2.gz MZCAKXWGBWNGKE-SUMWQHHRSA-N 0 1 270.376 3.820 20 0 CHADMN NC1(c2noc(-c3sccc3Cl)n2)CCCCC1 ZINC000163117794 264344980 /nfs/dbraw/zinc/34/49/80/264344980.db2.gz KBUHSMUEYFIEKV-UHFFFAOYSA-N 0 1 283.784 3.570 20 0 CHADMN CC[C@@H](NCc1ccc(C)o1)c1ccc2c(c1)OCCO2 ZINC000077507147 264357025 /nfs/dbraw/zinc/35/70/25/264357025.db2.gz DPPADMISEPDQHB-OAHLLOKOSA-N 0 1 287.359 3.600 20 0 CHADMN C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCCCC(=O)[O-] ZINC000181543072 264452755 /nfs/dbraw/zinc/45/27/55/264452755.db2.gz WJZFOVMYAWOYSR-LBPRGKRZSA-N 0 1 275.348 3.681 20 0 CHADMN Cc1ncc(CN(C)CCOC2CCCCCC2)s1 ZINC000345890987 265100562 /nfs/dbraw/zinc/10/05/62/265100562.db2.gz WSMJEYSFQSDRQQ-UHFFFAOYSA-N 0 1 282.453 3.623 20 0 CHADMN Cc1nc(CN2CCC[C@H](c3ccccc3)C2)oc1C ZINC000335455091 265156577 /nfs/dbraw/zinc/15/65/77/265156577.db2.gz CYLQNVGGOZBFKV-INIZCTEOSA-N 0 1 270.376 3.671 20 0 CHADMN CN(C(=O)c1[nH]nc2ccccc21)C1CCC(C)(C)CC1 ZINC000094820099 265257658 /nfs/dbraw/zinc/25/76/58/265257658.db2.gz ABQLWJPEOHRHFR-UHFFFAOYSA-N 0 1 285.391 3.604 20 0 CHADMN C[C@H](NCc1cccc(F)c1)c1cc(F)cc(F)c1 ZINC000094826375 265259722 /nfs/dbraw/zinc/25/97/22/265259722.db2.gz DZHXOIRCOKENNS-JTQLQIEISA-N 0 1 265.278 3.955 20 0 CHADMN Cc1cc(CN[C@@H](c2ncc[nH]2)C2CCCCC2)ccn1 ZINC000514582125 266003844 /nfs/dbraw/zinc/00/38/44/266003844.db2.gz GFIICRHRGCTDRM-MRXNPFEDSA-N 0 1 284.407 3.524 20 0 CHADMN CC[C@H](NCc1ccc(C)c(C)n1)c1ccc(OC)cc1 ZINC000314774402 266019371 /nfs/dbraw/zinc/01/93/71/266019371.db2.gz LLTXLADIFWNIPN-SFHVURJKSA-N 0 1 284.403 3.948 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@@H]3CCC(C)(C)C3)[nH]c2c1 ZINC000514662682 266031578 /nfs/dbraw/zinc/03/15/78/266031578.db2.gz LSDPDVJNURHQTP-LLVKDONJSA-N 0 1 271.364 3.636 20 0 CHADMN c1c(CN2CC3(CCC3)[C@@H]2C2CC2)[nH]nc1-c1ccccc1 ZINC000356287507 266088399 /nfs/dbraw/zinc/08/83/99/266088399.db2.gz UFKGLEDCQKINLB-SFHVURJKSA-N 0 1 293.414 3.841 20 0 CHADMN CCCCCN(CCCOC)Cc1nc(C)sc1C ZINC000356341340 266097155 /nfs/dbraw/zinc/09/71/55/266097155.db2.gz IFQFCZPLAVYTPD-UHFFFAOYSA-N 0 1 284.469 3.789 20 0 CHADMN Cc1ccc(F)c(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000356512818 266128810 /nfs/dbraw/zinc/12/88/10/266128810.db2.gz BMSMGAHUUZPIBM-IAGOWNOFSA-N 0 1 289.394 3.668 20 0 CHADMN CC(C)Oc1cccc(CN2CC3(CCC3(F)F)C2)c1 ZINC000356521581 266129915 /nfs/dbraw/zinc/12/99/15/266129915.db2.gz HQWKLOBLVOBPOD-UHFFFAOYSA-N 0 1 281.346 3.705 20 0 CHADMN CCC[C@](C)(CC)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000356646688 266153300 /nfs/dbraw/zinc/15/33/00/266153300.db2.gz QPZIGTKCVOYJBR-KRWDZBQOSA-N 0 1 291.439 3.641 20 0 CHADMN Clc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)o1 ZINC000356967369 266219668 /nfs/dbraw/zinc/21/96/68/266219668.db2.gz VLDHLFJAZPRBQI-UHFFFAOYSA-N 0 1 286.678 3.526 20 0 CHADMN Fc1cccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)c1F ZINC000356971507 266221129 /nfs/dbraw/zinc/22/11/29/266221129.db2.gz XPTHEZQVJUPJNK-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN C[C@H]1CCN(Cc2ccncc2Cl)CC12CCC2 ZINC000357019760 266233439 /nfs/dbraw/zinc/23/34/39/266233439.db2.gz CYGYZOSGGNPXFB-LBPRGKRZSA-N 0 1 264.800 3.747 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H]3CCC[C@H](C)C3)cc2[nH]1 ZINC000357024468 266235274 /nfs/dbraw/zinc/23/52/74/266235274.db2.gz DUMPORWUVYKXLW-CMPLNLGQSA-N 0 1 271.364 3.636 20 0 CHADMN C[C@@H]1CCN(Cc2cc(-c3ccco3)on2)CC12CCC2 ZINC000357033648 266237517 /nfs/dbraw/zinc/23/75/17/266237517.db2.gz HNDVRWIMBYGINQ-CYBMUJFWSA-N 0 1 286.375 3.947 20 0 CHADMN Cc1cccc(C)c1OCCN(Cc1ccccn1)C1CC1 ZINC000357160882 266257262 /nfs/dbraw/zinc/25/72/62/266257262.db2.gz ITPIBYDBIUEAPS-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN Cc1cnc(CN2CCC3(CCCCC3)CC2)s1 ZINC000357323146 266275245 /nfs/dbraw/zinc/27/52/45/266275245.db2.gz WSFCUMXVZOHKKB-UHFFFAOYSA-N 0 1 264.438 3.998 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)N1CCC[C@@H](C)CC1 ZINC000357388701 266288300 /nfs/dbraw/zinc/28/83/00/266288300.db2.gz KPIAEEAVAWDMOR-VXGBXAGGSA-N 0 1 291.420 3.981 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114494939 266308893 /nfs/dbraw/zinc/30/88/93/266308893.db2.gz LVJSGBNFRLMRNZ-GUYCJALGSA-N 0 1 287.407 3.830 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN([C@H](C)C1CC1)C1CC1 ZINC000357523568 266316119 /nfs/dbraw/zinc/31/61/19/266316119.db2.gz VKPQLOAEZFEVIJ-CYBMUJFWSA-N 0 1 296.414 3.922 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1ccn(C2CCCC2)n1 ZINC000357702460 266348567 /nfs/dbraw/zinc/34/85/67/266348567.db2.gz DQJJXFVTXIKTNA-CYBMUJFWSA-N 0 1 281.469 3.572 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CCC[C@@H](C)[C@H]1C ZINC000357734053 266353261 /nfs/dbraw/zinc/35/32/61/266353261.db2.gz QTWRBBDYUCHXFD-CHWSQXEVSA-N 0 1 289.398 3.816 20 0 CHADMN C[C@@H](NC[C@@H]1SCCc2ccccc21)c1nccs1 ZINC000357803016 266368209 /nfs/dbraw/zinc/36/82/09/266368209.db2.gz ZOCRPCKBROVYLD-RISCZKNCSA-N 0 1 290.457 3.824 20 0 CHADMN OC[C@H](N[C@@H]1CCCc2sccc21)c1cccc(F)c1 ZINC000358168089 266432750 /nfs/dbraw/zinc/43/27/50/266432750.db2.gz ZLAGOVJDZZEXFR-CABCVRRESA-N 0 1 291.391 3.588 20 0 CHADMN c1[nH]c(CN[C@H]2CCc3ccccc32)nc1-c1ccccc1 ZINC000361956712 266911405 /nfs/dbraw/zinc/91/14/05/266911405.db2.gz GJRLOMGPPCMEAC-KRWDZBQOSA-N 0 1 289.382 3.854 20 0 CHADMN c1sc2ccccc2c1CN1CCO[C@@H](C2CC2)C1 ZINC000362510716 266997797 /nfs/dbraw/zinc/99/77/97/266997797.db2.gz LVKXBWPEGRBGRZ-OAHLLOKOSA-N 0 1 273.401 3.512 20 0 CHADMN COC1CCN(CCc2cc(Cl)ccc2Cl)CC1 ZINC000362969923 267069393 /nfs/dbraw/zinc/06/93/93/267069393.db2.gz PZKAIGZYFHQRDM-UHFFFAOYSA-N 0 1 288.218 3.647 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000368069192 267144010 /nfs/dbraw/zinc/14/40/10/267144010.db2.gz FGEYHOOUNMNEFD-AWEZNQCLSA-N 0 1 292.386 3.631 20 0 CHADMN Cc1nnc(CN2CCCCC[C@H]2c2cccc(C)c2)o1 ZINC000117897903 267225378 /nfs/dbraw/zinc/22/53/78/267225378.db2.gz AEHLIIKYWJQWRZ-INIZCTEOSA-N 0 1 285.391 3.804 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CCN1Cc1cscn1 ZINC000369611802 267254839 /nfs/dbraw/zinc/25/48/39/267254839.db2.gz GZBCCATXVYOKID-ZFWWWQNUSA-N 0 1 272.417 3.911 20 0 CHADMN CCN(Cc1ccccc1)C(=O)c1c(C)n[nH]c1C(C)C ZINC000119158837 267305124 /nfs/dbraw/zinc/30/51/24/267305124.db2.gz QFKDFDDPBNHVBX-UHFFFAOYSA-N 0 1 285.391 3.504 20 0 CHADMN Cc1ncc(C[N@@H+]2CCC[C@@H](CC(C)C)C2)s1 ZINC000119312000 267321910 /nfs/dbraw/zinc/32/19/10/267321910.db2.gz HPIVMZIHQSIASY-ZDUSSCGKSA-N 0 1 252.427 3.710 20 0 CHADMN Cc1cn[nH]c1CN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000370690089 267340265 /nfs/dbraw/zinc/34/02/65/267340265.db2.gz LVCKYPIBRZKZDX-OAHLLOKOSA-N 0 1 296.374 3.587 20 0 CHADMN CN(Cc1cc(Cl)cn1C)Cc1cccc2cccnc21 ZINC000120019698 267352388 /nfs/dbraw/zinc/35/23/88/267352388.db2.gz LYXOAWSHKHYTLU-UHFFFAOYSA-N 0 1 299.805 3.859 20 0 CHADMN CCN(Cc1cccc(O)c1)Cc1cccc(F)c1 ZINC000120017574 267352424 /nfs/dbraw/zinc/35/24/24/267352424.db2.gz GUBIGKVWVOIIAN-UHFFFAOYSA-N 0 1 259.324 3.553 20 0 CHADMN CCCn1cc(CN(CC)[C@@H](C)c2cccc(O)c2)cn1 ZINC000120095991 267358093 /nfs/dbraw/zinc/35/80/93/267358093.db2.gz YHWZZCCSXJRTKK-AWEZNQCLSA-N 0 1 287.407 3.582 20 0 CHADMN c1ccc2sc(CN3CCC4(CC4)CC3)nc2c1 ZINC000371343920 267393919 /nfs/dbraw/zinc/39/39/19/267393919.db2.gz IYQQJLUIAOMJDU-UHFFFAOYSA-N 0 1 258.390 3.672 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2cccc3[nH]ccc32)no1 ZINC000371395394 267399044 /nfs/dbraw/zinc/39/90/44/267399044.db2.gz GLIRAEXWTAZVOA-QGZVFWFLSA-N 0 1 281.359 3.801 20 0 CHADMN CCS[C@@H]1CCC[C@H]1NCc1ncc(Cl)s1 ZINC000300391688 267399348 /nfs/dbraw/zinc/39/93/48/267399348.db2.gz UAJLXIWRHBZVEE-RKDXNWHRSA-N 0 1 276.858 3.560 20 0 CHADMN Cc1ccc(CNCc2ccc(-c3ccncc3)cc2)o1 ZINC000371763010 267460880 /nfs/dbraw/zinc/46/08/80/267460880.db2.gz SEDSYLWNYRNGAH-UHFFFAOYSA-N 0 1 278.355 3.940 20 0 CHADMN Clc1cccc([C@@H]2CCCCN2Cc2cnc[nH]2)c1 ZINC000376638604 268004186 /nfs/dbraw/zinc/00/41/86/268004186.db2.gz XZRBBIDSXOLCAK-HNNXBMFYSA-N 0 1 275.783 3.790 20 0 CHADMN Cc1cncc(CNCc2cc(Br)cs2)c1 ZINC000123169590 268004467 /nfs/dbraw/zinc/00/44/67/268004467.db2.gz HQJZJBVNYPDPPY-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1ncc(-c2cccs2)o1 ZINC000123293703 268021280 /nfs/dbraw/zinc/02/12/80/268021280.db2.gz CKFAPLQSLOSEQK-QWRGUYRKSA-N 0 1 262.378 3.776 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1CCC2(CCC2)C1 ZINC000123330086 268037011 /nfs/dbraw/zinc/03/70/11/268037011.db2.gz DPQHUXPSPLMVPE-NSHDSACASA-N 0 1 289.404 3.735 20 0 CHADMN CCc1cnc(CN[C@@H](C)[C@@H]2CCC[C@H](C)C2)o1 ZINC000570772399 327617423 /nfs/dbraw/zinc/61/74/23/327617423.db2.gz KWQDMKYKANFUNJ-RWMBFGLXSA-N 0 1 250.386 3.541 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(C)cn2)c(C)s1 ZINC000126962967 327634109 /nfs/dbraw/zinc/63/41/09/327634109.db2.gz DSGVZHAENNJIMS-LBPRGKRZSA-N 0 1 260.406 3.919 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@@H](CO)c1cccc(F)c1 ZINC000537981424 327699409 /nfs/dbraw/zinc/69/94/09/327699409.db2.gz KWZNDCIWDAWHDU-GUYCJALGSA-N 0 1 273.351 3.518 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H](C)c1cnccn1)C(C)C ZINC000163077564 327706153 /nfs/dbraw/zinc/70/61/53/327706153.db2.gz IBFYQFJOYKRPDS-WMLDXEAASA-N 0 1 269.392 3.833 20 0 CHADMN C[C@@H](NCc1ccccc1N(C)C)c1ccc(F)cc1F ZINC000171126668 327751841 /nfs/dbraw/zinc/75/18/41/327751841.db2.gz OQZQASNSOANLFR-GFCCVEGCSA-N 0 1 290.357 3.882 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1ccc2c(c1)OCO2 ZINC000183115872 327758040 /nfs/dbraw/zinc/75/80/40/327758040.db2.gz JDLYXHNAUFIBMM-ZDUSSCGKSA-N 0 1 299.370 3.583 20 0 CHADMN CSCCCN[C@H](c1nccs1)c1ccccc1 ZINC000173266615 327771289 /nfs/dbraw/zinc/77/12/89/327771289.db2.gz DQBNTYNFIBHQJZ-ZDUSSCGKSA-N 0 1 278.446 3.575 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1cc(C)sc1C ZINC000189556057 327783531 /nfs/dbraw/zinc/78/35/31/327783531.db2.gz LUJWXLIZVAWWLB-LLVKDONJSA-N 0 1 276.405 3.619 20 0 CHADMN CC(C)n1ccnc1CN[C@H](c1ccccc1)C1CC1 ZINC000179107237 327799776 /nfs/dbraw/zinc/79/97/76/327799776.db2.gz SPZSGNJCLCZGSJ-QGZVFWFLSA-N 0 1 269.392 3.705 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2sccc21)c1nccn1C ZINC000184661092 327832174 /nfs/dbraw/zinc/83/21/74/327832174.db2.gz XBVFUGLSWPKALP-OLZOCXBDSA-N 0 1 275.421 3.600 20 0 CHADMN CCn1cc([C@H](C)NCc2ccc(C(F)F)cc2)cn1 ZINC000185353599 327838484 /nfs/dbraw/zinc/83/84/84/327838484.db2.gz AMVWGRJLFLZBCR-NSHDSACASA-N 0 1 279.334 3.691 20 0 CHADMN C[C@@H]1CCC[C@H](NCc2ncc(-c3ccccc3)cn2)C1 ZINC000185867469 327848739 /nfs/dbraw/zinc/84/87/39/327848739.db2.gz HQFLNINKYGZELZ-PBHICJAKSA-N 0 1 281.403 3.812 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccccc1)c1cc2ccccc2o1 ZINC000062999609 327904742 /nfs/dbraw/zinc/90/47/42/327904742.db2.gz DXDYAHJRHGBBSE-CZUORRHYSA-N 0 1 281.355 3.817 20 0 CHADMN CC[C@H](NCc1sc(C)nc1C)c1ccc(F)cn1 ZINC000312095883 327927534 /nfs/dbraw/zinc/92/75/34/327927534.db2.gz RNEOECJYKCROHU-LBPRGKRZSA-N 0 1 279.384 3.535 20 0 CHADMN C[C@H]1C[N@@H+](CCCCCC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000563283026 328008614 /nfs/dbraw/zinc/00/86/14/328008614.db2.gz LZQCAWZZACJPAM-RDJZCZTQSA-N 0 1 289.419 3.757 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2ccc3c(c2)CCCC3)cn1 ZINC000339283731 328004787 /nfs/dbraw/zinc/00/47/87/328004787.db2.gz LKVWOODNUHTLDD-ZDUSSCGKSA-N 0 1 281.403 3.515 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2ccsc2C(=O)[O-])cc1 ZINC000563280442 328007283 /nfs/dbraw/zinc/00/72/83/328007283.db2.gz TUKDMXSRBVBWBD-UHFFFAOYSA-N 0 1 289.400 3.641 20 0 CHADMN Cc1cccc(CN2CCO[C@](C)(c3ccccc3)C2)c1 ZINC000531588252 328016789 /nfs/dbraw/zinc/01/67/89/328016789.db2.gz ONRLCISYBHVBIG-IBGZPJMESA-N 0 1 281.399 3.743 20 0 CHADMN CC1(C)C[C@H](NCc2c(F)cccc2Cl)C(C)(C)O1 ZINC000531694282 328025243 /nfs/dbraw/zinc/02/52/43/328025243.db2.gz GLLFKHJHLSOISM-ZDUSSCGKSA-N 0 1 285.790 3.915 20 0 CHADMN CO[C@H](C)c1nc(CN[C@H](C)Cc2ccsc2)cs1 ZINC000531725884 328023772 /nfs/dbraw/zinc/02/37/72/328023772.db2.gz DUPXXFRKZGZPKL-GHMZBOCLSA-N 0 1 296.461 3.633 20 0 CHADMN CC[C@H](C)CSc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000531775802 328032629 /nfs/dbraw/zinc/03/26/29/328032629.db2.gz DSIXLDOSUAZJLY-JTQLQIEISA-N 0 1 277.393 3.619 20 0 CHADMN O=C(c1cc(-c2ccoc2)[nH]n1)N1CCCC12CCCCC2 ZINC000534044218 328033907 /nfs/dbraw/zinc/03/39/07/328033907.db2.gz OMOFVEPPCOVGPY-UHFFFAOYSA-N 0 1 299.374 3.609 20 0 CHADMN COC(C)(C)CN(C)Cc1nc(-c2cccs2)oc1C ZINC000531829358 328041975 /nfs/dbraw/zinc/04/19/75/328041975.db2.gz CBYAZFIMBDSFOI-UHFFFAOYSA-N 0 1 294.420 3.568 20 0 CHADMN C[C@@H](CN[C@@H](C)c1cscn1)c1ccc(F)cc1F ZINC000534328865 328045966 /nfs/dbraw/zinc/04/59/66/328045966.db2.gz NICZPBMXGXDLTE-UWVGGRQHSA-N 0 1 282.359 3.876 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000534381031 328050208 /nfs/dbraw/zinc/05/02/08/328050208.db2.gz ROTCZJJJXPNNNA-DOMZBBRYSA-N 0 1 295.373 3.774 20 0 CHADMN CCc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)s1 ZINC000563362126 328059036 /nfs/dbraw/zinc/05/90/36/328059036.db2.gz KCVQICNXJRNIOH-WMLDXEAASA-N 0 1 287.428 3.618 20 0 CHADMN C[C@@H]1[C@H](C(=O)[O-])CC[C@H](C)[N@@H+]1CC[C@H]1CCC[C@H](C)C1 ZINC000563454766 328067569 /nfs/dbraw/zinc/06/75/69/328067569.db2.gz HMWCXQULKQQREC-AALSBFMBSA-N 0 1 281.440 3.776 20 0 CHADMN C[C@@H]1[C@H](C(=O)[O-])CC[C@H](C)[N@@H+]1CC[C@@H]1CCC[C@H](C)C1 ZINC000563454767 328067584 /nfs/dbraw/zinc/06/75/84/328067584.db2.gz HMWCXQULKQQREC-ARKGTOAJSA-N 0 1 281.440 3.776 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)cc1F ZINC000563453756 328067607 /nfs/dbraw/zinc/06/76/07/328067607.db2.gz NHLQQVZRJIFFDH-QGZVFWFLSA-N 0 1 299.345 3.861 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1cccc(Cl)c1F ZINC000563455832 328067819 /nfs/dbraw/zinc/06/78/19/328067819.db2.gz QKOWHUGXUUCVRR-SCVCMEIPSA-N 0 1 299.773 3.553 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2nnc(-c3ccccc3)s2)C1 ZINC000155089993 328069190 /nfs/dbraw/zinc/06/91/90/328069190.db2.gz MTDSSLOCCHGVRF-BETUJISGSA-N 0 1 287.432 3.683 20 0 CHADMN CC(C)(CNCc1c(F)cccc1F)C(F)(F)F ZINC000563548903 328072987 /nfs/dbraw/zinc/07/29/87/328072987.db2.gz DPIHVGQEOITQQR-UHFFFAOYSA-N 0 1 267.241 3.643 20 0 CHADMN Cc1ncc(CNCc2cc3cc(C)ccc3o2)s1 ZINC000152184433 328078562 /nfs/dbraw/zinc/07/85/62/328078562.db2.gz NCKBSWSGTYINTI-UHFFFAOYSA-N 0 1 272.373 3.796 20 0 CHADMN CC(C)CC[C@H]1CCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000155509465 328082267 /nfs/dbraw/zinc/08/22/67/328082267.db2.gz JZLWVYHFMKWRDJ-CYBMUJFWSA-N 0 1 277.412 3.574 20 0 CHADMN CC1(C)C[C@H](N[C@@H](CO)c2cccc(F)c2)c2ccccc21 ZINC000571112982 328086563 /nfs/dbraw/zinc/08/65/63/328086563.db2.gz VEKMORAGGZWHOG-ROUUACIJSA-N 0 1 299.389 3.871 20 0 CHADMN CC1(C)C[C@@H](N[C@@H](CO)c2cccc(F)c2)c2ccccc21 ZINC000571112980 328086583 /nfs/dbraw/zinc/08/65/83/328086583.db2.gz VEKMORAGGZWHOG-MSOLQXFVSA-N 0 1 299.389 3.871 20 0 CHADMN CSc1ccc(F)cc1CN[C@H](C)c1ccoc1 ZINC000571350107 328115409 /nfs/dbraw/zinc/11/54/09/328115409.db2.gz HXYYBVTVDAARRV-SNVBAGLBSA-N 0 1 265.353 3.991 20 0 CHADMN C[C@@H](O)[C@@H](NCc1ccc(C2CC2)cc1)c1ccccc1F ZINC000571409472 328120059 /nfs/dbraw/zinc/12/00/59/328120059.db2.gz NHLMLFBJWGELNK-BFUOFWGJSA-N 0 1 299.389 3.915 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+](CC(=O)[O-])CC(C)C ZINC000571409854 328120187 /nfs/dbraw/zinc/12/01/87/328120187.db2.gz MNCSIQCVWJEJGS-UHFFFAOYSA-N 0 1 285.387 3.691 20 0 CHADMN Cc1c([C@@H](C)N[C@@H]2CCCC[C@H]2F)cnn1C(C)C ZINC000414301809 328154191 /nfs/dbraw/zinc/15/41/91/328154191.db2.gz BWVATOAGBSDJFS-KCPJHIHWSA-N 0 1 267.392 3.704 20 0 CHADMN CCc1ncc(CNCc2ccc(C3CCC3)cc2)cn1 ZINC000414433127 328169173 /nfs/dbraw/zinc/16/91/73/328169173.db2.gz KLDNGLDEKRWJRU-UHFFFAOYSA-N 0 1 281.403 3.596 20 0 CHADMN CC(C)(C)c1ccc(CN2CCCO[C@@H](CF)C2)s1 ZINC000414474474 328185258 /nfs/dbraw/zinc/18/52/58/328185258.db2.gz DPCQFPDYZCFTNB-LBPRGKRZSA-N 0 1 285.428 3.606 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H](C)c1sccc1C ZINC000437097782 328197807 /nfs/dbraw/zinc/19/78/07/328197807.db2.gz OTJBMWCVXGEIQN-VXGBXAGGSA-N 0 1 276.405 3.872 20 0 CHADMN CCC[C@@](C)(CC)c1nc([C@H](N)CC(C)C)no1 ZINC000414612289 328201251 /nfs/dbraw/zinc/20/12/51/328201251.db2.gz DKRMNVRXKTZHCH-BXUZGUMPSA-N 0 1 253.390 3.583 20 0 CHADMN CC[C@@H](NCc1cc(OC)ccn1)c1cccc(Cl)c1 ZINC000273025122 328203001 /nfs/dbraw/zinc/20/30/01/328203001.db2.gz CIZZMZPPMCIHES-MRXNPFEDSA-N 0 1 290.794 3.985 20 0 CHADMN CCS[C@@H](C)c1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000273979024 328207809 /nfs/dbraw/zinc/20/78/09/328207809.db2.gz PHPRVNASHLMZMM-QMMMGPOBSA-N 0 1 290.348 3.534 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2C[C@@]2(C)c2ccccc2)n1 ZINC000414621252 328204650 /nfs/dbraw/zinc/20/46/50/328204650.db2.gz LRVCPETYPWWTRO-ZQIUZPCESA-N 0 1 285.391 3.561 20 0 CHADMN CC(C)C[C@@H](N)c1noc(CC2CC(c3ccccc3)C2)n1 ZINC000414633607 328205232 /nfs/dbraw/zinc/20/52/32/328205232.db2.gz ZXNVLRRRPJTZBI-AVVWSFFYSA-N 0 1 299.418 3.852 20 0 CHADMN Cc1cc([C@@H](C)NCCCc2ccc(Cl)cc2)no1 ZINC000282801244 328243502 /nfs/dbraw/zinc/24/35/02/328243502.db2.gz QTUIPWQBMQYCQW-GFCCVEGCSA-N 0 1 278.783 3.920 20 0 CHADMN CC(=O)c1ccc(CN2CCCC[C@H]2c2cccn2C)cc1 ZINC000295064653 328284807 /nfs/dbraw/zinc/28/48/07/328284807.db2.gz PSDCAWQSAQBSAO-IBGZPJMESA-N 0 1 296.414 3.955 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@H](C)c3cccc(C)c3)cc2[nH]1 ZINC000531930321 328314586 /nfs/dbraw/zinc/31/45/86/328314586.db2.gz LYKOBTXTPMHPDZ-GFCCVEGCSA-N 0 1 293.370 3.922 20 0 CHADMN CC[C@H](C(=O)Nc1ccc2oc3ccccc3c2c1)N(C)C ZINC000531932398 328320970 /nfs/dbraw/zinc/32/09/70/328320970.db2.gz AJSKUSKNARLKBZ-OAHLLOKOSA-N 0 1 296.370 3.865 20 0 CHADMN C[C@@H]1CCC[C@H](N(C)CC(=O)c2c[nH]c3ccccc23)C1 ZINC000049013309 328328423 /nfs/dbraw/zinc/32/84/23/328328423.db2.gz DUIKRTCNNTVQOQ-KGLIPLIRSA-N 0 1 284.403 3.861 20 0 CHADMN CCC1(C(=O)Nc2cccc(Cl)c2O)CCCC1 ZINC000534701660 328357284 /nfs/dbraw/zinc/35/72/84/328357284.db2.gz VSDFMJZBIJAXLJ-UHFFFAOYSA-N 0 1 267.756 3.955 20 0 CHADMN CCSc1ccc([C@H](C)NCc2cnoc2C)cc1 ZINC000129838822 328357970 /nfs/dbraw/zinc/35/79/70/328357970.db2.gz YNGBTISQNHJELZ-NSHDSACASA-N 0 1 276.405 3.946 20 0 CHADMN CC[C@H](C)CN(C)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000531968608 328358043 /nfs/dbraw/zinc/35/80/43/328358043.db2.gz DPZAAMGASZYEFL-NSHDSACASA-N 0 1 291.370 3.662 20 0 CHADMN CCCCc1nc2ccc(NC(=O)C(C)(C)C)cc2[nH]1 ZINC000049428886 328361151 /nfs/dbraw/zinc/36/11/51/328361151.db2.gz BZTBOZSNPSDYHX-UHFFFAOYSA-N 0 1 273.380 3.890 20 0 CHADMN C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)c1cccc(CO)c1 ZINC000534798250 328362272 /nfs/dbraw/zinc/36/22/72/328362272.db2.gz IOOUCPUPBSKLPX-GDZNZVCISA-N 0 1 285.387 3.746 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2ccc(Cl)cc2Cl)C[C@H]1O ZINC000534862456 328365721 /nfs/dbraw/zinc/36/57/21/328365721.db2.gz JGSKAPJRSLAEII-GPCCPHFNSA-N 0 1 288.218 3.757 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2ccc(Cl)c(Cl)c2)C[C@@H]1O ZINC000534864223 328365973 /nfs/dbraw/zinc/36/59/73/328365973.db2.gz XYMGFGFXYRDURV-RULNRJAQSA-N 0 1 288.218 3.757 20 0 CHADMN CCC[C@H](NCc1cc(CC)no1)c1ccc(OC)cc1 ZINC000531976695 328369036 /nfs/dbraw/zinc/36/90/36/328369036.db2.gz PPISHIIQXQOCHP-KRWDZBQOSA-N 0 1 288.391 3.877 20 0 CHADMN Oc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 ZINC000111686614 328374541 /nfs/dbraw/zinc/37/45/41/328374541.db2.gz ANODWJSMFWIHMY-UHFFFAOYSA-N 0 1 264.712 3.753 20 0 CHADMN c1csc(C[N@@H+](Cc2ccc3[nH]cnc3c2)C2CC2)c1 ZINC000535069202 328383435 /nfs/dbraw/zinc/38/34/35/328383435.db2.gz FCAILCQBSXLSEW-UHFFFAOYSA-N 0 1 283.400 3.789 20 0 CHADMN C[C@@H](C[C@H]1CCCO1)Nc1ccnc2cc(F)ccc21 ZINC000113247272 328456919 /nfs/dbraw/zinc/45/69/19/328456919.db2.gz MCVHHICWTNVUKL-WCQYABFASA-N 0 1 274.339 3.743 20 0 CHADMN C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1nc2ccc(Cl)cc2n1C ZINC000563738478 328497824 /nfs/dbraw/zinc/49/78/24/328497824.db2.gz KJEGUNMLKHVRMG-HDBBIHSSSA-N 0 1 299.752 3.531 20 0 CHADMN CC1(C)CCC[C@H]1NCc1nc(-c2ccc(F)cc2)no1 ZINC000191291278 328504347 /nfs/dbraw/zinc/50/43/47/328504347.db2.gz BSKGTYFNIUWTIM-CYBMUJFWSA-N 0 1 289.354 3.544 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccn1)c1ccc(-n2cccn2)cc1 ZINC000152372224 328522420 /nfs/dbraw/zinc/52/24/20/328522420.db2.gz ZENXKQRBBOMXFC-GJZGRUSLSA-N 0 1 292.386 3.679 20 0 CHADMN Cc1cccn2c(CN[C@@H]3CSc4ccccc43)cnc12 ZINC000344433096 328558165 /nfs/dbraw/zinc/55/81/65/328558165.db2.gz HIWNQVUTLKKPKH-OAHLLOKOSA-N 0 1 295.411 3.579 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(C)cc2)c(OC)c1 ZINC000037770261 326861238 /nfs/dbraw/zinc/86/12/38/326861238.db2.gz QVOCHYDAZFIXLE-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2ccc(Br)o2)C1 ZINC000306273155 326863540 /nfs/dbraw/zinc/86/35/40/326863540.db2.gz ZKKKOBLFWXQOJX-UWVGGRQHSA-N 0 1 272.186 3.520 20 0 CHADMN Cc1cc([C@@H](C)NCc2cc(CO)ccc2F)c(C)s1 ZINC000528432121 326877520 /nfs/dbraw/zinc/87/75/20/326877520.db2.gz GXFXCBWGRFVDIW-LLVKDONJSA-N 0 1 293.407 3.847 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2cc(CO)ccc2F)c1 ZINC000528435485 326883306 /nfs/dbraw/zinc/88/33/06/326883306.db2.gz BKHSDFSYNUBRAV-CQSZACIVSA-N 0 1 287.378 3.786 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@@H](c1ccccc1F)[C@H](C)O ZINC000584058061 326911476 /nfs/dbraw/zinc/91/14/76/326911476.db2.gz HIQBHQQHFKFEBZ-SLEUVZQESA-N 0 1 293.407 3.968 20 0 CHADMN COc1ccc(CN[C@H]2CCc3cc(C)ccc32)c(F)c1 ZINC000557277456 327000024 /nfs/dbraw/zinc/00/00/24/327000024.db2.gz QKUXRGZHLZHFOK-SFHVURJKSA-N 0 1 285.362 3.920 20 0 CHADMN C[C@H](N[C@H]1CSC1(C)C)c1ccc(F)cc1F ZINC000338792060 327006376 /nfs/dbraw/zinc/00/63/76/327006376.db2.gz MJWYMNHNOURKNE-UFBFGSQYSA-N 0 1 257.349 3.509 20 0 CHADMN CC(C)(C)CC[N@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000568654521 327008526 /nfs/dbraw/zinc/00/85/26/327008526.db2.gz KIUYAGPLADLQMK-CABCVRRESA-N 0 1 281.440 3.778 20 0 CHADMN CCS[C@H]1CCCC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000568772543 327016175 /nfs/dbraw/zinc/01/61/75/327016175.db2.gz VZHAUVCTNLMHLD-NSHDSACASA-N 0 1 299.461 3.554 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263340486 327019397 /nfs/dbraw/zinc/01/93/97/327019397.db2.gz NGRPNGBAHRWBBE-CORIIIEPSA-N 0 1 295.810 3.834 20 0 CHADMN C/C(=C/c1ccccc1)CNCc1nccn1CC(C)C ZINC000255897681 327026266 /nfs/dbraw/zinc/02/62/66/327026266.db2.gz OIADQJVCQHDDJU-WJDWOHSUSA-N 0 1 283.419 3.732 20 0 CHADMN Cn1ccc(CN[C@@H](c2cccc(F)c2)C2CCCC2)n1 ZINC000557830745 327030130 /nfs/dbraw/zinc/03/01/30/327030130.db2.gz JSMFCGIHCAGLAV-QGZVFWFLSA-N 0 1 287.382 3.580 20 0 CHADMN CO[C@@H]1[C@H](C)[C@@H](NCc2csc(C(C)(C)C)n2)C1(C)C ZINC000557933215 327035796 /nfs/dbraw/zinc/03/57/96/327035796.db2.gz GVATZKLHMODHQZ-RAIGVLPGSA-N 0 1 296.480 3.590 20 0 CHADMN CCN(Cc1ccc2c(n1)CCC2)[C@@H](C)c1cccnc1 ZINC000569196274 327043362 /nfs/dbraw/zinc/04/33/62/327043362.db2.gz IMFGUKPAMJMIEJ-AWEZNQCLSA-N 0 1 281.403 3.548 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2occc2C(=O)[O-])CC1 ZINC000584177775 327059337 /nfs/dbraw/zinc/05/93/37/327059337.db2.gz MSJZFNSNLXZLOC-UHFFFAOYSA-N 0 1 279.380 3.770 20 0 CHADMN Cc1nc(CN(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)oc1C ZINC000584196097 327062870 /nfs/dbraw/zinc/06/28/70/327062870.db2.gz FFXFITBETSIMNX-TXEJJXNPSA-N 0 1 290.329 3.844 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2CCc2ccccc2)o1 ZINC000584237063 327073207 /nfs/dbraw/zinc/07/32/07/327073207.db2.gz JMXIXIQNVOBBLV-HNNXBMFYSA-N 0 1 299.370 3.575 20 0 CHADMN CC[C@@H](c1cccc(OC)c1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000558166511 327077366 /nfs/dbraw/zinc/07/73/66/327077366.db2.gz LRBMJQSCNMTKFS-SJORKVTESA-N 0 1 277.408 3.647 20 0 CHADMN CC(C)COCCN1CC(C)(C)[C@H]1c1cccs1 ZINC000558177500 327077911 /nfs/dbraw/zinc/07/79/11/327077911.db2.gz LGOMQFKIGFUMJI-CQSZACIVSA-N 0 1 267.438 3.804 20 0 CHADMN CCc1cnc(CN(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)o1 ZINC000558181725 327078009 /nfs/dbraw/zinc/07/80/09/327078009.db2.gz MBDBIPMYFCRRSV-PHIMTYICSA-N 0 1 290.329 3.790 20 0 CHADMN CC[C@@H]1CC[C@@H]1NCc1c(F)cc(F)c(F)c1F ZINC000558255320 327081813 /nfs/dbraw/zinc/08/18/13/327081813.db2.gz OCFGUTCVCITXQX-HQJQHLMTSA-N 0 1 261.262 3.521 20 0 CHADMN COc1cccc(Cl)c1CN1CC(C2CCC2)C1 ZINC000558413165 327092083 /nfs/dbraw/zinc/09/20/83/327092083.db2.gz FJOBDHYPHRSNOT-UHFFFAOYSA-N 0 1 265.784 3.581 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2ccc(OC)cc2)s1 ZINC000090339578 327094424 /nfs/dbraw/zinc/09/44/24/327094424.db2.gz YKJVTGFOYPKDOY-NSHDSACASA-N 0 1 276.405 3.565 20 0 CHADMN C[C@H](c1ccccc1F)N1CCC(F)(F)[C@H](C)C1 ZINC000558467605 327096536 /nfs/dbraw/zinc/09/65/36/327096536.db2.gz ZLRJJMRVGCWEMZ-GHMZBOCLSA-N 0 1 257.299 3.864 20 0 CHADMN Cc1cc2cc(CN3CC[C@H](OC(F)F)C3)oc2cc1C ZINC000559098685 327141176 /nfs/dbraw/zinc/14/11/76/327141176.db2.gz ZJHABXNRCFFXMM-ZDUSSCGKSA-N 0 1 295.329 3.863 20 0 CHADMN C[C@@H](CN1CCOC[C@@H]1CC(F)F)C1CCCCC1 ZINC000559243385 327149375 /nfs/dbraw/zinc/14/93/75/327149375.db2.gz GUXRDBNBQCHOQG-JSGCOSHPSA-N 0 1 275.383 3.559 20 0 CHADMN c1cc(CN(Cc2ccccc2)CC2CCCC2)n[nH]1 ZINC000518251966 327149888 /nfs/dbraw/zinc/14/98/88/327149888.db2.gz IRIRMEQENWMZNH-UHFFFAOYSA-N 0 1 269.392 3.602 20 0 CHADMN Cc1cc(C)c([C@H](C)N2CC[C@@H](C)[S@@](=O)CC2)c(C)c1 ZINC000559281655 327154597 /nfs/dbraw/zinc/15/45/97/327154597.db2.gz LCUHYOAIZQLTCE-GUXCAODWSA-N 0 1 293.476 3.516 20 0 CHADMN CSCc1cnc(CNCC(C)(C)C(F)(F)F)s1 ZINC000559303938 327157459 /nfs/dbraw/zinc/15/74/59/327157459.db2.gz MEKOSQDKQBADOC-UHFFFAOYSA-N 0 1 298.399 3.684 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000518547075 327173343 /nfs/dbraw/zinc/17/33/43/327173343.db2.gz UZRTVKDUBHDOAF-YPMHNXCESA-N 0 1 281.421 3.847 20 0 CHADMN Cc1nnc([C@@H](C)NCC[C@@H](C)c2ccccc2)s1 ZINC000278526903 327174971 /nfs/dbraw/zinc/17/49/71/327174971.db2.gz TZKRKKCITFFFFR-VXGBXAGGSA-N 0 1 275.421 3.691 20 0 CHADMN Cc1ccc([C@H]2CCC[C@H]2NC(CF)CF)cc1 ZINC000449377465 327181883 /nfs/dbraw/zinc/18/18/83/327181883.db2.gz AIINNQVUPGFUQY-HUUCEWRRSA-N 0 1 253.336 3.528 20 0 CHADMN Cc1ccc([C@@H]2CSCCN2Cc2ncccc2C)cc1 ZINC000093174555 327196741 /nfs/dbraw/zinc/19/67/41/327196741.db2.gz AREHGICHHDABRA-SFHVURJKSA-N 0 1 298.455 3.989 20 0 CHADMN Cc1[nH]c(SC2CCC2)nc1Cc1ccccc1 ZINC000559376301 327198152 /nfs/dbraw/zinc/19/81/52/327198152.db2.gz GLSIZGCESAMFNW-UHFFFAOYSA-N 0 1 258.390 3.954 20 0 CHADMN CCc1ncc(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)s1 ZINC000449458782 327221273 /nfs/dbraw/zinc/22/12/73/327221273.db2.gz JBIYBUMSKOPYGA-VHSXEESVSA-N 0 1 292.370 3.868 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)[C@@H](C)c1ccccc1C ZINC000584296819 327227922 /nfs/dbraw/zinc/22/79/22/327227922.db2.gz JNHLQDWAEYGXBO-LBPRGKRZSA-N 0 1 287.359 3.788 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N1CCc3ccsc3C1)CC2 ZINC000536368053 327232322 /nfs/dbraw/zinc/23/23/22/327232322.db2.gz FFQVDVRCAGMUMH-HNNXBMFYSA-N 0 1 273.376 3.933 20 0 CHADMN C[C@H]1CN(CCCc2ccccc2Br)[C@H]1C ZINC000584304892 327233462 /nfs/dbraw/zinc/23/34/62/327233462.db2.gz OYAZIXLYHIJNJM-RYUDHWBXSA-N 0 1 282.225 3.722 20 0 CHADMN Cc1ccccc1-c1cnc(CN2CCCSCC2)o1 ZINC000536374054 327233519 /nfs/dbraw/zinc/23/35/19/327233519.db2.gz HTEYILBKAKMMAB-UHFFFAOYSA-N 0 1 288.416 3.589 20 0 CHADMN CCCN(CC(C)C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000533883965 327237535 /nfs/dbraw/zinc/23/75/35/327237535.db2.gz AIPRFENYMXAMFD-UHFFFAOYSA-N 0 1 291.439 3.966 20 0 CHADMN CCc1ccc(-c2noc(CN(C)C3CCCC3)n2)cc1 ZINC000053435798 327240686 /nfs/dbraw/zinc/24/06/86/327240686.db2.gz RYHWOXNCHMQSJM-UHFFFAOYSA-N 0 1 285.391 3.673 20 0 CHADMN CN(Cc1csc(C2CCCCC2)n1)C1CCOCC1 ZINC000531104788 327248369 /nfs/dbraw/zinc/24/83/69/327248369.db2.gz CHZNAEOMONIQKA-UHFFFAOYSA-N 0 1 294.464 3.802 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1N[C@H](C)[C@@H](C)O ZINC000573795383 327257963 /nfs/dbraw/zinc/25/79/63/327257963.db2.gz GEABXYSGVROWIS-HUUCEWRRSA-N 0 1 276.424 3.557 20 0 CHADMN CC(C)Oc1ccc(CN[C@H]2COCc3ccccc32)cc1 ZINC000559893359 327269090 /nfs/dbraw/zinc/26/90/90/327269090.db2.gz DWCMWFPKROUNBW-IBGZPJMESA-N 0 1 297.398 3.835 20 0 CHADMN C[C@@H]1CCC[C@H](C)N(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000559981131 327275159 /nfs/dbraw/zinc/27/51/59/327275159.db2.gz FYPUVGMHIBVNLM-KGLIPLIRSA-N 0 1 297.402 3.727 20 0 CHADMN Cc1ccc(CNCc2ccc(OC(C)C)cc2)o1 ZINC000047889435 327277222 /nfs/dbraw/zinc/27/72/22/327277222.db2.gz AFROKQMISFBZBK-UHFFFAOYSA-N 0 1 259.349 3.665 20 0 CHADMN CC(C)[C@H]1C[C@@H](Nc2ncnc3[nH]cnc32)c2ccccc21 ZINC000560011966 327277537 /nfs/dbraw/zinc/27/75/37/327277537.db2.gz XRYIXQCZWYMYOA-ZIAGYGMSSA-N 0 1 293.374 3.649 20 0 CHADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+]1CCCC(C)(C)CC1 ZINC000573974715 327277662 /nfs/dbraw/zinc/27/76/62/327277662.db2.gz ALQPXDKSAZGYAB-HNNXBMFYSA-N 0 1 275.392 3.633 20 0 CHADMN C[C@@H]1CC[C@@H](C)[C@@H](NCc2noc(-c3cccs3)n2)C1 ZINC000560134206 327285639 /nfs/dbraw/zinc/28/56/39/327285639.db2.gz OCOQNLVOXKFDPU-UTUOFQBUSA-N 0 1 291.420 3.712 20 0 CHADMN CN(CCCC(=O)c1ccc(F)cc1)Cc1ccco1 ZINC000049854698 327298076 /nfs/dbraw/zinc/29/80/76/327298076.db2.gz IQGUMGSIFYGKQE-UHFFFAOYSA-N 0 1 275.323 3.514 20 0 CHADMN c1coc([C@@H](NC[C@@H]2CCCCO2)c2ccccc2)c1 ZINC000049899899 327298890 /nfs/dbraw/zinc/29/88/90/327298890.db2.gz KWZVLVLIVYGENW-RDJZCZTQSA-N 0 1 271.360 3.528 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1cccc(C)n1 ZINC000560554244 327324168 /nfs/dbraw/zinc/32/41/68/327324168.db2.gz VNYMYDQJTHDPLM-QINSGFPZSA-N 0 1 266.388 3.925 20 0 CHADMN Cc1cc([C@@H](C)[N@H+]2CC[C@@H](CC(C)C)C2)oc1C(=O)[O-] ZINC000566358614 327335401 /nfs/dbraw/zinc/33/54/01/327335401.db2.gz LAOZLUVTZCRNLQ-OLZOCXBDSA-N 0 1 279.380 3.715 20 0 CHADMN CC(C)(C)C1CCC(C[N@@H+](CC(=O)[O-])C2CCC2)CC1 ZINC000574702956 327367489 /nfs/dbraw/zinc/36/74/89/327367489.db2.gz CPNHKAHQIUDQJY-UHFFFAOYSA-N 0 1 281.440 3.778 20 0 CHADMN CCCC(C)(C)CC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000427431910 327375952 /nfs/dbraw/zinc/37/59/52/327375952.db2.gz OOXWNXGRRGSEDJ-NWDGAFQWSA-N 0 1 294.443 3.712 20 0 CHADMN C[C@H]1CCC[C@H](C)[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000569623318 327383964 /nfs/dbraw/zinc/38/39/64/327383964.db2.gz OPMWERMHRJVVMY-RYUDHWBXSA-N 0 1 279.355 3.534 20 0 CHADMN COc1cccc(C2(NCc3cc(C)ccc3OC)CC2)c1 ZINC000150907001 327397399 /nfs/dbraw/zinc/39/73/99/327397399.db2.gz FKABHIPFNSINRW-UHFFFAOYSA-N 0 1 297.398 3.791 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H](C)c2ccc3ncsc3c2)cn1 ZINC000427831448 327439279 /nfs/dbraw/zinc/43/92/79/327439279.db2.gz QLLVXQNBFULICU-RYUDHWBXSA-N 0 1 298.415 3.807 20 0 CHADMN Clc1cccc(CNCc2ccc3c(n2)CCC3)c1 ZINC000562679852 327504347 /nfs/dbraw/zinc/50/43/47/327504347.db2.gz CQFDLTKNNXMBQV-UHFFFAOYSA-N 0 1 272.779 3.514 20 0 CHADMN CCC[C@H](C)[C@@H](CO)N[C@@H](C)c1csc(C(C)C)n1 ZINC000569732023 327543419 /nfs/dbraw/zinc/54/34/19/327543419.db2.gz FFZIGXDFWLNEBM-RWMBFGLXSA-N 0 1 284.469 3.714 20 0 CHADMN Cc1ccc(CNCc2ccncc2C)c(OC(C)C)c1 ZINC000569794051 327547209 /nfs/dbraw/zinc/54/72/09/327547209.db2.gz YONZPAKCODILNU-UHFFFAOYSA-N 0 1 284.403 3.775 20 0 CHADMN Cc1cc(C)cc(CN[C@@H](c2ccccc2F)[C@H](C)O)c1 ZINC000570688688 327611470 /nfs/dbraw/zinc/61/14/70/327611470.db2.gz DDKZBURBSXTMBY-KBXCAEBGSA-N 0 1 287.378 3.654 20 0 CHADMN O=C(Nc1ccc2[nH]ccc2c1)c1ccc(O)c(Cl)c1 ZINC000113415668 328616866 /nfs/dbraw/zinc/61/68/66/328616866.db2.gz UITICNALKMQCLE-UHFFFAOYSA-N 0 1 286.718 3.779 20 0 CHADMN Cc1ccnc(NCCc2ccc(OC(F)F)cc2)c1 ZINC000532098975 328698929 /nfs/dbraw/zinc/69/89/29/328698929.db2.gz YJHZGZOGVYWOHH-UHFFFAOYSA-N 0 1 278.302 3.646 20 0 CHADMN COc1ccc([C@H](C)NCc2ccoc2)cc1Cl ZINC000532212235 328707921 /nfs/dbraw/zinc/70/79/21/328707921.db2.gz LXEGHEFSAOCJEP-JTQLQIEISA-N 0 1 265.740 3.792 20 0 CHADMN Fc1cccc(F)c1CN[C@@H]1CCCC(F)(F)C1 ZINC000532270266 328710756 /nfs/dbraw/zinc/71/07/56/328710756.db2.gz YMJYKBJULJBXSY-SECBINFHSA-N 0 1 261.262 3.632 20 0 CHADMN Cc1cccc(NCCCOc2cccc3cccnc32)n1 ZINC000302242347 328831903 /nfs/dbraw/zinc/83/19/03/328831903.db2.gz OYEBJCZAIWJFLJ-UHFFFAOYSA-N 0 1 293.370 3.819 20 0 CHADMN CCSCCNCc1c(Cl)cccc1Cl ZINC000389436758 328844681 /nfs/dbraw/zinc/84/46/81/328844681.db2.gz DKAKCSADYXOGRS-UHFFFAOYSA-N 0 1 264.221 3.836 20 0 CHADMN CCn1cc([C@@H](C)N[C@H](C)c2ccc(F)c(C)c2)cn1 ZINC000358389107 328883600 /nfs/dbraw/zinc/88/36/00/328883600.db2.gz CQYUKQRQLZDBIC-CHWSQXEVSA-N 0 1 275.371 3.762 20 0 CHADMN CC(C)[C@H](NCc1ccn(C)c1)c1cc(F)ccc1F ZINC000358763596 328893866 /nfs/dbraw/zinc/89/38/66/328893866.db2.gz ZTPDTYJQAZDTMU-INIZCTEOSA-N 0 1 278.346 3.790 20 0 CHADMN CC(C)n1ccc(CN[C@@H](c2cccs2)C2CC2)n1 ZINC000359322220 328896988 /nfs/dbraw/zinc/89/69/88/328896988.db2.gz MGUICKRJHPBMLW-OAHLLOKOSA-N 0 1 275.421 3.766 20 0 CHADMN CC(=O)Nc1ccccc1CNc1cc2c(cn1)CCCC2 ZINC000359470575 328897465 /nfs/dbraw/zinc/89/74/65/328897465.db2.gz JXYQZNWSNNTOGG-UHFFFAOYSA-N 0 1 295.386 3.531 20 0 CHADMN Cc1ccncc1CN(C)c1ccnc2cc(F)ccc21 ZINC000360101572 328904199 /nfs/dbraw/zinc/90/41/99/328904199.db2.gz LVYPWIYPGXUHHS-UHFFFAOYSA-N 0 1 281.334 3.714 20 0 CHADMN CSc1ccccc1CN[C@@H](C)c1ccccn1 ZINC000361149783 328914976 /nfs/dbraw/zinc/91/49/76/328914976.db2.gz TYDXBVURDFHJDF-LBPRGKRZSA-N 0 1 258.390 3.654 20 0 CHADMN c1nc2n(c1CN[C@H]1CCSc3ccccc31)CCCC2 ZINC000375270153 329002326 /nfs/dbraw/zinc/00/23/26/329002326.db2.gz UJJIUBWXKVRCIL-HNNXBMFYSA-N 0 1 299.443 3.546 20 0 CHADMN Cc1cnn([C@@H]2CCN([C@@H](C)c3ccccc3Cl)C2)c1 ZINC000377723277 329027168 /nfs/dbraw/zinc/02/71/68/329027168.db2.gz MZXUIDNLHYFQPI-UONOGXRCSA-N 0 1 289.810 3.853 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N2C[C@H]3CCCC[C@H]32)n1 ZINC000377782738 329029173 /nfs/dbraw/zinc/02/91/73/329029173.db2.gz UJFHGRMGIKVVPQ-SQWLQELKSA-N 0 1 297.402 3.980 20 0 CHADMN Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000378321144 329046155 /nfs/dbraw/zinc/04/61/55/329046155.db2.gz ROONHMQQVZMIGU-INIZCTEOSA-N 0 1 282.387 3.882 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CC=C(c2ccccc2)C1 ZINC000378570312 329055113 /nfs/dbraw/zinc/05/51/13/329055113.db2.gz RXICTWVPHWEMJG-UHFFFAOYSA-N 0 1 299.757 3.585 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC([C@H]2CCOC2)CC1 ZINC000378640856 329057602 /nfs/dbraw/zinc/05/76/02/329057602.db2.gz BOYDRTOJWAMRJR-OCCSQVGLSA-N 0 1 295.373 3.774 20 0 CHADMN C(=C/c1ccccc1)\CSCc1n[nH]c(C2CC2)n1 ZINC000193568069 329059501 /nfs/dbraw/zinc/05/95/01/329059501.db2.gz WLGIWHLVCMWEPO-QPJJXVBHSA-N 0 1 271.389 3.629 20 0 CHADMN C=Cn1cc(CN2CCC[C@@H]2c2ccc(OCC)cc2)cn1 ZINC000193636268 329060220 /nfs/dbraw/zinc/06/02/20/329060220.db2.gz RKVOPOZZYQVUIN-GOSISDBHSA-N 0 1 297.402 3.719 20 0 CHADMN C=Cn1cc(CN2C[C@@H](C)C[C@@H]2c2ccccc2F)cn1 ZINC000193982771 329064650 /nfs/dbraw/zinc/06/46/50/329064650.db2.gz WMQUPXVTAUHTST-SUMWQHHRSA-N 0 1 285.366 3.706 20 0 CHADMN C=Cn1cc(CN2CC[C@H](C)[C@H]2c2cccc(F)c2)cn1 ZINC000194019676 329064788 /nfs/dbraw/zinc/06/47/88/329064788.db2.gz AZKNFHMIKZYXHH-GUYCJALGSA-N 0 1 285.366 3.706 20 0 CHADMN CCCN(Cc1nc2cc(F)ccc2n1CC)C1CC1 ZINC000171678292 329075467 /nfs/dbraw/zinc/07/54/67/329075467.db2.gz UFEYBOPPECCTAJ-UHFFFAOYSA-N 0 1 275.371 3.570 20 0 CHADMN CC(C)c1noc(CN[C@H]2CCCC[C@@H]2C(C)(C)C)n1 ZINC000171688830 329078379 /nfs/dbraw/zinc/07/83/79/329078379.db2.gz FWIYOIIEZRUDJW-STQMWFEESA-N 0 1 279.428 3.888 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Cl)c3cccnc23)CCS1 ZINC000171691048 329078501 /nfs/dbraw/zinc/07/85/01/329078501.db2.gz XUFHCASXODWGKD-LLVKDONJSA-N 0 1 292.835 3.826 20 0 CHADMN CN(CCc1cccnc1)Cc1ccc(F)cc1Cl ZINC000172163717 329081726 /nfs/dbraw/zinc/08/17/26/329081726.db2.gz JZLICNBQQSYMOC-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN Cn1ccc([C@H](NCC2CCC2)c2ccc(Cl)cc2)n1 ZINC000542666622 329083815 /nfs/dbraw/zinc/08/38/15/329083815.db2.gz PLNMECRNCVOLHY-MRXNPFEDSA-N 0 1 289.810 3.553 20 0 CHADMN CCS[C@H]1CCC[C@@H]1NCc1cc(C(C)(C)C)on1 ZINC000582489253 329097305 /nfs/dbraw/zinc/09/73/05/329097305.db2.gz JUEUAJCWQDHSNQ-STQMWFEESA-N 0 1 282.453 3.736 20 0 CHADMN Cc1oc2ccccc2c1CN[C@H](C)c1cncnc1C ZINC000582736375 329134105 /nfs/dbraw/zinc/13/41/05/329134105.db2.gz YFARLBGFDRLAHF-LLVKDONJSA-N 0 1 281.359 3.690 20 0 CHADMN Cc1ccccc1CCC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000582755374 329144712 /nfs/dbraw/zinc/14/47/12/329144712.db2.gz QWKSXLWVFJVWNY-OALUTQOASA-N 0 1 299.458 3.961 20 0 CHADMN CSCCC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000173462407 329147260 /nfs/dbraw/zinc/14/72/60/329147260.db2.gz KQKANFILTRBSPE-UHFFFAOYSA-N 0 1 265.397 3.668 20 0 CHADMN c1ccc(-c2noc(CN3CCC4(CCCC4)C3)n2)cc1 ZINC000174275686 329156362 /nfs/dbraw/zinc/15/63/62/329156362.db2.gz HHPZJMCHYDSJBZ-UHFFFAOYSA-N 0 1 283.375 3.503 20 0 CHADMN c1c2ccccc2oc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429241938 329157918 /nfs/dbraw/zinc/15/79/18/329157918.db2.gz ZFHYPKFVJLYPFL-INIZCTEOSA-N 0 1 285.387 3.681 20 0 CHADMN CCN(Cc1ncc(-c2cccc(F)c2)o1)C(C)C ZINC000175113723 329163008 /nfs/dbraw/zinc/16/30/08/329163008.db2.gz GLEGWPFWHPRWSS-UHFFFAOYSA-N 0 1 262.328 3.711 20 0 CHADMN C[C@@H](N[C@H](c1nccs1)c1ccccc1)C1CC1 ZINC000177270362 329182733 /nfs/dbraw/zinc/18/27/33/329182733.db2.gz CAJLBZBXSCRGPR-RISCZKNCSA-N 0 1 258.390 3.621 20 0 CHADMN COc1c(C)cc(CN(C)[C@@H](C)c2ccccn2)cc1C ZINC000177274053 329185584 /nfs/dbraw/zinc/18/55/84/329185584.db2.gz NCKSKIJTLRAINZ-HNNXBMFYSA-N 0 1 284.403 3.900 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccoc1 ZINC000178125635 329196566 /nfs/dbraw/zinc/19/65/66/329196566.db2.gz ZGLNVTNYRVCPTL-RRQGHBQHSA-N 0 1 271.360 3.851 20 0 CHADMN Cc1cc2c(cc1C)[C@@H](NCc1ccoc1)CCCO2 ZINC000178475749 329197394 /nfs/dbraw/zinc/19/73/94/329197394.db2.gz CSCNXROLLORTLC-INIZCTEOSA-N 0 1 271.360 3.900 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2ccccc21)c1ccoc1 ZINC000178317449 329198636 /nfs/dbraw/zinc/19/86/36/329198636.db2.gz QQMAIRZJDPULLS-IUODEOHRSA-N 0 1 257.333 3.844 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178435700 329199931 /nfs/dbraw/zinc/19/99/31/329199931.db2.gz NPACZSAYGKBFGD-VHTFYLNKSA-N 0 1 299.439 3.569 20 0 CHADMN CCOC[C@@H](C)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000178727701 329200415 /nfs/dbraw/zinc/20/04/15/329200415.db2.gz HZCLQZIQMXAWDT-CHWSQXEVSA-N 0 1 290.432 3.886 20 0 CHADMN Cc1ncc(CN(C)Cc2ccc(C)c(C)c2)s1 ZINC000179383133 329205032 /nfs/dbraw/zinc/20/50/32/329205032.db2.gz AAYHDNQKXWXKEL-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN C[C@H](SCc1n[nH]c(C2CC2)n1)c1ccccc1F ZINC000179652556 329211044 /nfs/dbraw/zinc/21/10/44/329211044.db2.gz MHJBQWRJZMMHHP-VIFPVBQESA-N 0 1 277.368 3.816 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2cc(F)ccc21)c1ccncc1 ZINC000179967017 329214036 /nfs/dbraw/zinc/21/40/36/329214036.db2.gz AFFISXMDOOUDTL-MLGOLLRUSA-N 0 1 286.350 3.785 20 0 CHADMN Cc1cnc(C[N@H+]2CCC[C@H]2C2CCCC2)s1 ZINC000180443412 329217306 /nfs/dbraw/zinc/21/73/06/329217306.db2.gz VMCFIXWZFQFGPV-ZDUSSCGKSA-N 0 1 250.411 3.606 20 0 CHADMN Cc1n[nH]cc1CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000180149472 329217852 /nfs/dbraw/zinc/21/78/52/329217852.db2.gz PAIIHYZGKUZCKL-HNNXBMFYSA-N 0 1 275.783 3.709 20 0 CHADMN CCc1ccc(C2=CCN(Cc3cn(C)nc3C)CC2)cc1 ZINC000180784487 329223103 /nfs/dbraw/zinc/22/31/03/329223103.db2.gz GYHIQSYRTVZADG-UHFFFAOYSA-N 0 1 295.430 3.580 20 0 CHADMN CCn1cc([C@@H](C)NCc2ccccc2OC2CCC2)cn1 ZINC000180974291 329224666 /nfs/dbraw/zinc/22/46/66/329224666.db2.gz WIZFQODLWZQGFX-CQSZACIVSA-N 0 1 299.418 3.685 20 0 CHADMN C[C@H](NCc1nc(-c2ccoc2)no1)[C@@H](C)c1ccccc1 ZINC000181540698 329234218 /nfs/dbraw/zinc/23/42/18/329234218.db2.gz VYPRWTWHYCBWBA-OLZOCXBDSA-N 0 1 297.358 3.611 20 0 CHADMN CCOc1cccc(CN(C)[C@@H](C)c2ccccn2)c1 ZINC000182068160 329239270 /nfs/dbraw/zinc/23/92/70/329239270.db2.gz SCKUCSQMPAWKPR-AWEZNQCLSA-N 0 1 270.376 3.673 20 0 CHADMN C[C@@H](Cc1cccs1)NCc1ncc(Cl)s1 ZINC000225307392 329250769 /nfs/dbraw/zinc/25/07/69/329250769.db2.gz VJYBMFFENUFHTB-QMMMGPOBSA-N 0 1 272.826 3.579 20 0 CHADMN CC[C@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H](C)O1 ZINC000183944309 329254971 /nfs/dbraw/zinc/25/49/71/329254971.db2.gz UDBHYSQZDRDGTC-FZMZJTMJSA-N 0 1 269.335 3.624 20 0 CHADMN CCCn1cc(CNCc2ccc(C(F)F)cc2)cn1 ZINC000185181611 329267014 /nfs/dbraw/zinc/26/70/14/329267014.db2.gz PKCKGTQIMSCEDJ-UHFFFAOYSA-N 0 1 279.334 3.521 20 0 CHADMN CC(C)C[C@@H]1OCCC[C@@H]1NCc1csc(C2CC2)n1 ZINC000185193650 329267336 /nfs/dbraw/zinc/26/73/36/329267336.db2.gz SOPCAOOUUSYGBP-GJZGRUSLSA-N 0 1 294.464 3.704 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)CC(C)C)c2C)o1 ZINC000185468910 329274123 /nfs/dbraw/zinc/27/41/23/329274123.db2.gz DXBQKMWMLDJTPU-JTQLQIEISA-N 0 1 289.379 3.907 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccsc2C(=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000582908862 329286917 /nfs/dbraw/zinc/28/69/17/329286917.db2.gz AHUVFNQAMXQITN-XBFCOCLRSA-N 0 1 293.432 3.847 20 0 CHADMN CC[C@H](C)[C@H](C)[N@@H+](Cc1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000583031066 329304948 /nfs/dbraw/zinc/30/49/48/329304948.db2.gz WZVODOGUOUHQSU-RYUDHWBXSA-N 0 1 293.382 3.923 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1cnc(C)cc1C ZINC000397064211 329322087 /nfs/dbraw/zinc/32/20/87/329322087.db2.gz SHMSYVDRCLBSAO-OAHLLOKOSA-N 0 1 284.403 3.866 20 0 CHADMN CCc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000583172930 329332415 /nfs/dbraw/zinc/33/24/15/329332415.db2.gz OSHIWNFSIDWDGY-ROUUACIJSA-N 0 1 285.431 3.783 20 0 CHADMN CCCc1nc(CN[C@@H]2CCCO[C@H]2CC(C)C)cs1 ZINC000186315498 329340609 /nfs/dbraw/zinc/34/06/09/329340609.db2.gz SVBQFZDFCOLTQT-CABCVRRESA-N 0 1 296.480 3.779 20 0 CHADMN CCCc1nc(CN[C@H]2CCCO[C@@H]2CC(C)C)cs1 ZINC000186315477 329340734 /nfs/dbraw/zinc/34/07/34/329340734.db2.gz SVBQFZDFCOLTQT-LSDHHAIUSA-N 0 1 296.480 3.779 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000392451675 329341260 /nfs/dbraw/zinc/34/12/60/329341260.db2.gz HAGFOGQIKSJZGK-IUCAKERBSA-N 0 1 298.312 3.544 20 0 CHADMN Cc1nc([C@@H](C)N[C@H](C)c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000392451677 329341294 /nfs/dbraw/zinc/34/12/94/329341294.db2.gz HAGFOGQIKSJZGK-RKDXNWHRSA-N 0 1 298.312 3.544 20 0 CHADMN CCSc1cccc(CN(C)[C@@H](C)c2cnn(C)c2)c1 ZINC000186395313 329343747 /nfs/dbraw/zinc/34/37/47/329343747.db2.gz FNIDEWYASNHUDL-ZDUSSCGKSA-N 0 1 289.448 3.725 20 0 CHADMN FC(F)Oc1ccccc1CN1CCCC2(CC2)C1 ZINC000186606862 329346392 /nfs/dbraw/zinc/34/63/92/329346392.db2.gz JDBFWNJQUKBPTI-UHFFFAOYSA-N 0 1 267.319 3.664 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N(C)C[C@@H]1CCCO1 ZINC000186684929 329347459 /nfs/dbraw/zinc/34/74/59/329347459.db2.gz DDSIYQGDDQISAS-QWRGUYRKSA-N 0 1 271.763 3.651 20 0 CHADMN COc1ccc2nc(CN3CCC(C)(C)C3)sc2c1 ZINC000187098074 329353880 /nfs/dbraw/zinc/35/38/80/329353880.db2.gz ZQJPYOROZLHIKM-UHFFFAOYSA-N 0 1 276.405 3.537 20 0 CHADMN C[C@@H](N[C@H]1CCCc2sc(Cl)cc21)c1cn[nH]c1 ZINC000229629368 329356683 /nfs/dbraw/zinc/35/66/83/329356683.db2.gz WOFLDTWNTXZFAI-KCJUWKMLSA-N 0 1 281.812 3.853 20 0 CHADMN C[C@@]1(O)CCCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000230378195 329366805 /nfs/dbraw/zinc/36/68/05/329366805.db2.gz AAXPAAJURVOVMY-CQSZACIVSA-N 0 1 288.218 3.730 20 0 CHADMN C[C@]1(O)CCCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000230378197 329366841 /nfs/dbraw/zinc/36/68/41/329366841.db2.gz AAXPAAJURVOVMY-AWEZNQCLSA-N 0 1 288.218 3.730 20 0 CHADMN Clc1ccccc1CSCc1n[nH]c(C2CC2)n1 ZINC000188493211 329369423 /nfs/dbraw/zinc/36/94/23/329369423.db2.gz OCTVWRZZOQPAFK-UHFFFAOYSA-N 0 1 279.796 3.769 20 0 CHADMN C[C@@H](NCc1ccsc1)c1cccc(F)c1F ZINC000231633044 329378879 /nfs/dbraw/zinc/37/88/79/329378879.db2.gz NJEMHXRXEIBORW-SECBINFHSA-N 0 1 253.317 3.877 20 0 CHADMN C[C@H]1CN(Cc2cc3ccc(F)cc3[nH]2)C[C@H](C)S1 ZINC000583239095 329391192 /nfs/dbraw/zinc/39/11/92/329391192.db2.gz HJZIHOZEBQJCRP-QWRGUYRKSA-N 0 1 278.396 3.633 20 0 CHADMN C[C@@H]1CN(Cc2cc3ccc(F)cc3[nH]2)C[C@@H](C)S1 ZINC000583239093 329391207 /nfs/dbraw/zinc/39/12/07/329391207.db2.gz HJZIHOZEBQJCRP-GHMZBOCLSA-N 0 1 278.396 3.633 20 0 CHADMN Cc1cncc(CN2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000190036648 329392042 /nfs/dbraw/zinc/39/20/42/329392042.db2.gz NUHUNZSEWIHXLP-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1cc(NCc2n[nH]c(C3CC3)n2)ccc1C(F)(F)F ZINC000190381409 329395726 /nfs/dbraw/zinc/39/57/26/329395726.db2.gz SDFXQFICYIFHJS-UHFFFAOYSA-N 0 1 296.296 3.621 20 0 CHADMN CC(C)Sc1ccccc1NCc1n[nH]c(C2CC2)n1 ZINC000190389633 329395927 /nfs/dbraw/zinc/39/59/27/329395927.db2.gz BQQFHANJQCJOIR-UHFFFAOYSA-N 0 1 288.420 3.795 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)C[C@@H]1CC[C@H](C)O1 ZINC000190399524 329398026 /nfs/dbraw/zinc/39/80/26/329398026.db2.gz POMXPXRUCUNPRD-GVXVVHGQSA-N 0 1 269.335 3.525 20 0 CHADMN CCN(CC)[C@@H](C(=O)Nc1ccsc1)c1ccccc1 ZINC000125163677 329578393 /nfs/dbraw/zinc/57/83/93/329578393.db2.gz KFPJTSGNMLDQMK-OAHLLOKOSA-N 0 1 288.416 3.770 20 0 CHADMN C[C@H](NCc1ccc(Cl)c(F)c1)c1ccccn1 ZINC000043388452 329581138 /nfs/dbraw/zinc/58/11/38/329581138.db2.gz AIJQEVLKYCXZMH-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN Cc1nc(=O)c2sc(-c3cccc(Cl)c3)cc2[nH]1 ZINC000048606639 329628160 /nfs/dbraw/zinc/62/81/60/329628160.db2.gz RVAAVQPESHOBHH-UHFFFAOYSA-N 0 1 276.748 3.613 20 0 CHADMN C[C@@]1(O)C[C@H](Nc2ccnc3cc(C(F)(F)F)ccc32)C1 ZINC000419005034 329705370 /nfs/dbraw/zinc/70/53/70/329705370.db2.gz RLBWMINYINWVNM-WJONMLJTSA-N 0 1 296.292 3.579 20 0 CHADMN Cc1ccc(CC(C)(C)NCc2nc(C(C)C)no2)cc1 ZINC000419320743 329716415 /nfs/dbraw/zinc/71/64/15/329716415.db2.gz QGQIZUZOKCVGHL-UHFFFAOYSA-N 0 1 287.407 3.612 20 0 CHADMN C[C@H](NCc1ccc(F)cn1)c1ccc(C2CC2)cc1 ZINC000419339413 329718191 /nfs/dbraw/zinc/71/81/91/329718191.db2.gz MEINOKHHEZRXEP-LBPRGKRZSA-N 0 1 270.351 3.949 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccccc2F)cc(C)n1 ZINC000421201813 329805505 /nfs/dbraw/zinc/80/55/05/329805505.db2.gz NZDWCXMPZIFIGS-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1c(Cl)c(CNCC(C)(C)c2cccs2)nn1C ZINC000421373104 329815869 /nfs/dbraw/zinc/81/58/69/329815869.db2.gz ZDLOGWBFUSIHKG-UHFFFAOYSA-N 0 1 297.855 3.511 20 0 CHADMN C/C(=C\c1ccccc1)CNC(C)(C)c1cn(C(C)C)nn1 ZINC000421409050 329822281 /nfs/dbraw/zinc/82/22/81/329822281.db2.gz ZSSOYSMLGFOVGA-RVDMUPIBSA-N 0 1 298.434 3.787 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccoc1 ZINC000247182559 329877051 /nfs/dbraw/zinc/87/70/51/329877051.db2.gz ZGLNVTNYRVCPTL-XKQJLSEDSA-N 0 1 271.360 3.851 20 0 CHADMN C[C@H](c1cccs1)[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000262159288 330000856 /nfs/dbraw/zinc/00/08/56/330000856.db2.gz AWIITNDRIXPUFB-CYBMUJFWSA-N 0 1 289.400 3.786 20 0 CHADMN Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)CCCCC(=O)[O-])cc1 ZINC000262237714 330002273 /nfs/dbraw/zinc/00/22/73/330002273.db2.gz NJCNDDDVZLQKHV-SJORKVTESA-N 0 1 289.419 3.818 20 0 CHADMN CCCC1CCC(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)CC1 ZINC000263064219 330041808 /nfs/dbraw/zinc/04/18/08/330041808.db2.gz NOZORRNQDFOYQB-PRLABOORSA-N 0 1 281.440 3.636 20 0 CHADMN CC[N@@H+](Cc1cccc(C(=O)[O-])c1)[C@@H](C)c1cccc(O)c1 ZINC000263379276 330053327 /nfs/dbraw/zinc/05/33/27/330053327.db2.gz COJLEDZNPXBEFR-ZDUSSCGKSA-N 0 1 299.370 3.674 20 0 CHADMN Cc1cccc([C@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000263415506 330054793 /nfs/dbraw/zinc/05/47/93/330054793.db2.gz NCFCVEKKRIJJBN-SFHVURJKSA-N 0 1 295.382 3.683 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@H]2c2cccs2)c1 ZINC000263459383 330056993 /nfs/dbraw/zinc/05/69/93/330056993.db2.gz IIOKKXQBRBPBOA-AWEZNQCLSA-N 0 1 287.384 3.783 20 0 CHADMN Cc1ccc(-c2cccc(C[N@H+](CC(=O)[O-])C(C)C)c2)cc1 ZINC000263470715 330057223 /nfs/dbraw/zinc/05/72/23/330057223.db2.gz DOZPWLILXZCIJA-UHFFFAOYSA-N 0 1 297.398 3.957 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H]1C[C@H]1c1ccccc1 ZINC000263490621 330057649 /nfs/dbraw/zinc/05/76/49/330057649.db2.gz ILBXARWLMOXZGW-ADHGMGHFSA-N 0 1 299.414 3.508 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])cc1)[C@H](C)c1cccc(O)c1 ZINC000263573882 330059535 /nfs/dbraw/zinc/05/95/35/330059535.db2.gz MZXFNBOHTFDKDJ-CYBMUJFWSA-N 0 1 299.370 3.674 20 0 CHADMN Cc1ccc(OCCN[C@@H](C)c2ccncc2Cl)cc1 ZINC000421799868 330080511 /nfs/dbraw/zinc/08/05/11/330080511.db2.gz FYEUOBUEJQSKNY-ZDUSSCGKSA-N 0 1 290.794 3.773 20 0 CHADMN COc1ccc([C@H](NCc2ccoc2)C2CC2)c(F)c1 ZINC000421827840 330084146 /nfs/dbraw/zinc/08/41/46/330084146.db2.gz ZTUJIXSTOPYPJX-MRXNPFEDSA-N 0 1 275.323 3.668 20 0 CHADMN COCc1ccccc1CN[C@@H](C)c1ccncc1Cl ZINC000421819666 330086540 /nfs/dbraw/zinc/08/65/40/330086540.db2.gz IIOOZXCMBJTTEF-LBPRGKRZSA-N 0 1 290.794 3.732 20 0 CHADMN Cc1c([C@@H](C)NCc2cc(C)nc(C)c2)cnn1C(C)C ZINC000421852933 330088310 /nfs/dbraw/zinc/08/83/10/330088310.db2.gz IGZKROXHEWJBKS-CQSZACIVSA-N 0 1 286.423 3.635 20 0 CHADMN C[C@H](NCC1(C(F)(F)F)CC1)c1ccncc1Cl ZINC000421857979 330089806 /nfs/dbraw/zinc/08/98/06/330089806.db2.gz QQKRCEXZFOQHFT-QMMMGPOBSA-N 0 1 278.705 3.728 20 0 CHADMN COc1cc(Cl)ccc1[C@@H](C)NCc1scnc1C ZINC000421838065 330092472 /nfs/dbraw/zinc/09/24/72/330092472.db2.gz UQDONJJVXUIUQM-SECBINFHSA-N 0 1 296.823 3.964 20 0 CHADMN CCc1noc([C@H](C)N[C@H]2CCC[C@H]2c2ccccc2)n1 ZINC000275640862 330110696 /nfs/dbraw/zinc/11/06/96/330110696.db2.gz RYOQERRXYDGYQW-QEJZJMRPSA-N 0 1 285.391 3.619 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H](c2ccccc2F)[C@H](C)O)c1 ZINC000574995081 330125960 /nfs/dbraw/zinc/12/59/60/330125960.db2.gz VPLAJIIBCWCPLQ-SUNYJGFJSA-N 0 1 287.378 3.907 20 0 CHADMN Cc1cccc([C@H](C)N[C@H](c2ccccc2F)[C@H](C)O)c1 ZINC000574995078 330126011 /nfs/dbraw/zinc/12/60/11/330126011.db2.gz VPLAJIIBCWCPLQ-DEYYWGMASA-N 0 1 287.378 3.907 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000574995773 330126241 /nfs/dbraw/zinc/12/62/41/330126241.db2.gz JTBNNCWUMBXYCD-INIZCTEOSA-N 0 1 293.407 3.549 20 0 CHADMN CC(C)n1cc(CN[C@@H](C)c2ccc(F)c(F)c2)cn1 ZINC000226237608 330155691 /nfs/dbraw/zinc/15/56/91/330155691.db2.gz VMOKESLKBHDZRJ-NSHDSACASA-N 0 1 279.334 3.593 20 0 CHADMN CCS[C@H]1CCCCN(Cc2nc(C)cs2)C1 ZINC000081672004 330215127 /nfs/dbraw/zinc/21/51/27/330215127.db2.gz CMFDPHZDWRGTGA-LBPRGKRZSA-N 0 1 270.467 3.559 20 0 CHADMN Cn1ccnc1[C@@H](NCCC(C)(C)C)c1ccccc1 ZINC000527116031 330222935 /nfs/dbraw/zinc/22/29/35/330222935.db2.gz DYTKMWXLMNXTBL-HNNXBMFYSA-N 0 1 271.408 3.535 20 0 CHADMN CC1(C)C[C@@H](N[C@@H](c2ccco2)c2ccccc2)CO1 ZINC000396831960 330227040 /nfs/dbraw/zinc/22/70/40/330227040.db2.gz RZIVUNRWVCMXBF-GDBMZVCRSA-N 0 1 271.360 3.526 20 0 CHADMN Cn1cc(Cl)c(CN[C@H]2CCCCC23CCCC3)n1 ZINC000393335916 330229416 /nfs/dbraw/zinc/22/94/16/330229416.db2.gz DSTWDAMFLAOXPY-AWEZNQCLSA-N 0 1 281.831 3.666 20 0 CHADMN CCCOc1ccc(CN[C@H](C)c2ccco2)cc1 ZINC000035137021 330242915 /nfs/dbraw/zinc/24/29/15/330242915.db2.gz CKWQOQRZUHLFIZ-CYBMUJFWSA-N 0 1 259.349 3.919 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc3c(c1)COC3)CO2 ZINC000536854628 330249906 /nfs/dbraw/zinc/24/99/06/330249906.db2.gz YBZWEEVEKNMKRW-ACJLOTCBSA-N 0 1 295.382 3.810 20 0 CHADMN C[C@H]1CC(F)(F)CCN1Cc1cc(F)cc2cccnc21 ZINC000528764708 330257082 /nfs/dbraw/zinc/25/70/82/330257082.db2.gz GCXYCRNTEONIAG-NSHDSACASA-N 0 1 294.320 3.994 20 0 CHADMN C[C@H](N[C@H](CO)c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000536866946 330258378 /nfs/dbraw/zinc/25/83/78/330258378.db2.gz BWFZTKOBPACSKK-MEDUHNTESA-N 0 1 293.769 3.863 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)C[C@@H]2c2ccco2)ccn1 ZINC000527532838 330262499 /nfs/dbraw/zinc/26/24/99/330262499.db2.gz DVILWTJDXPMVIF-CZUORRHYSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(Cl)cc2)ccn1 ZINC000527533536 330262815 /nfs/dbraw/zinc/26/28/15/330262815.db2.gz KCXZFSNCPILWQX-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1cc(CN(Cc2ccccc2F)C(C)C)ccn1 ZINC000527534957 330263407 /nfs/dbraw/zinc/26/34/07/330263407.db2.gz SPKCLNGHIPYGGS-UHFFFAOYSA-N 0 1 272.367 3.940 20 0 CHADMN COC[C@@H](N[C@H](C)c1cccs1)c1ccc(F)cc1 ZINC000536869739 330264978 /nfs/dbraw/zinc/26/49/78/330264978.db2.gz MHVDGYRWUKFORS-BXUZGUMPSA-N 0 1 279.380 3.926 20 0 CHADMN Cc1cc(CN[C@H]2CCCOc3c(F)cccc32)ccn1 ZINC000527692533 330279534 /nfs/dbraw/zinc/27/95/34/330279534.db2.gz SUDRVANTMBVIOT-INIZCTEOSA-N 0 1 286.350 3.533 20 0 CHADMN CCc1cccc(F)c1CNCc1ccc2cn(C)nc2c1 ZINC000527759992 330281305 /nfs/dbraw/zinc/28/13/05/330281305.db2.gz CUWGEQPGULIMRI-UHFFFAOYSA-N 0 1 297.377 3.565 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNCc2ccc3cn(C)nc3c2)o1 ZINC000527762065 330281392 /nfs/dbraw/zinc/28/13/92/330281392.db2.gz JQNVJYUURQDWFM-BLLLJJGKSA-N 0 1 295.386 3.580 20 0 CHADMN COc1ccc(C(C)(C)NCc2ccc(C)nc2)cc1F ZINC000527780202 330282954 /nfs/dbraw/zinc/28/29/54/330282954.db2.gz DXNWLUFEZQVSJN-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN Cc1ncccc1CNCc1cccc(OC(F)(F)F)c1 ZINC000527792737 330283605 /nfs/dbraw/zinc/28/36/05/330283605.db2.gz DPLLJFFGGFFHEN-UHFFFAOYSA-N 0 1 296.292 3.578 20 0 CHADMN Cc1ncccc1CNCc1cnc(C2CCCC2)s1 ZINC000527794332 330283787 /nfs/dbraw/zinc/28/37/87/330283787.db2.gz ZAETUMWBUGNBCV-UHFFFAOYSA-N 0 1 287.432 3.794 20 0 CHADMN Cc1nocc1CN[C@H](c1cccc(C)c1)C(C)C ZINC000527811395 330284809 /nfs/dbraw/zinc/28/48/09/330284809.db2.gz SCYODHFXJBOOOX-INIZCTEOSA-N 0 1 258.365 3.778 20 0 CHADMN CC[C@H](N[C@@H](C(N)=O)c1ccccc1)c1cc(C)ccc1C ZINC000527843289 330287511 /nfs/dbraw/zinc/28/75/11/330287511.db2.gz BVVSLDBQSPEJTJ-ZWKOTPCHSA-N 0 1 296.414 3.571 20 0 CHADMN Cc1cccc([C@@H](NCc2cc(C)ncn2)C(C)C)c1 ZINC000527875414 330291077 /nfs/dbraw/zinc/29/10/77/330291077.db2.gz MLADGUDXGYSGEG-KRWDZBQOSA-N 0 1 269.392 3.580 20 0 CHADMN CC(C)n1cncc1CNC1(c2cccc(Cl)c2)CC1 ZINC000424147839 330294188 /nfs/dbraw/zinc/29/41/88/330294188.db2.gz SLDHVDJJMUJNFS-UHFFFAOYSA-N 0 1 289.810 3.896 20 0 CHADMN CC[C@@H](NCc1cccnc1C)c1cc(C)ccc1OC ZINC000527986250 330298723 /nfs/dbraw/zinc/29/87/23/330298723.db2.gz KPJHXLGAZGNDEB-QGZVFWFLSA-N 0 1 284.403 3.948 20 0 CHADMN CCC[C@@H](NCc1ccc2cn(C)nc2c1)c1ccccn1 ZINC000527960736 330300654 /nfs/dbraw/zinc/30/06/54/330300654.db2.gz DVSLXVSMDASLQR-MRXNPFEDSA-N 0 1 294.402 3.599 20 0 CHADMN CC(C)n1cncc1CNCc1ccc(C(F)F)cc1 ZINC000424179794 330318687 /nfs/dbraw/zinc/31/86/87/330318687.db2.gz ULUUZBJSRXMJCQ-UHFFFAOYSA-N 0 1 279.334 3.691 20 0 CHADMN CN(Cc1nc(-c2cccs2)no1)CC1CCCCC1 ZINC000043999777 330323216 /nfs/dbraw/zinc/32/32/16/330323216.db2.gz ULPPMOBCKRBCTM-UHFFFAOYSA-N 0 1 291.420 3.810 20 0 CHADMN CC[C@@H](C)CN(C)CC(=O)Nc1cc(Cl)ccc1C ZINC000532965419 330323510 /nfs/dbraw/zinc/32/35/10/330323510.db2.gz XNXSJJAUVQBIOU-LLVKDONJSA-N 0 1 282.815 3.565 20 0 CHADMN CC(C)n1cncc1CN[C@H]1CCCc2ccc(F)cc21 ZINC000424192922 330324005 /nfs/dbraw/zinc/32/40/05/330324005.db2.gz QDEYMYSZNNHSRK-KRWDZBQOSA-N 0 1 287.382 3.770 20 0 CHADMN CC[C@@]1(C)CCN(Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000533023383 330324689 /nfs/dbraw/zinc/32/46/89/330324689.db2.gz OLYZGYVRVPKXPT-INIZCTEOSA-N 0 1 291.826 3.849 20 0 CHADMN CCC[C@H]1CCCN(Cc2nc(C)c3ccccc3n2)C1 ZINC000533023688 330324709 /nfs/dbraw/zinc/32/47/09/330324709.db2.gz YZSZXWUXXPGHCC-HNNXBMFYSA-N 0 1 283.419 3.950 20 0 CHADMN CC(C)(C)c1cnc(CN[C@@H]2C[C@H]2C2CCC2)s1 ZINC000424209045 330328087 /nfs/dbraw/zinc/32/80/87/330328087.db2.gz YUMWSKCXRWJKSQ-NWDGAFQWSA-N 0 1 264.438 3.719 20 0 CHADMN C[C@@H]1CCC[C@@H](CC[N@H+]2CCCC[C@@H]2CCC(=O)[O-])C1 ZINC000424254785 330332274 /nfs/dbraw/zinc/33/22/74/330332274.db2.gz HBMQHSHDAMSVFW-OWCLPIDISA-N 0 1 281.440 3.922 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(C)nc2)c(Cl)c1 ZINC000424262353 330332644 /nfs/dbraw/zinc/33/26/44/330332644.db2.gz FZGYFYGBROWBHG-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1ccccc1CCC[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000424263232 330332670 /nfs/dbraw/zinc/33/26/70/330332670.db2.gz RJJYQESHFSSQJY-QGZVFWFLSA-N 0 1 289.419 3.647 20 0 CHADMN Fc1ccc(Br)c2c1CC[C@@H]2N[C@H]1CC12CC2 ZINC000424332557 330342831 /nfs/dbraw/zinc/34/28/31/330342831.db2.gz WTYQCOFTHKZQNS-RYUDHWBXSA-N 0 1 296.183 3.718 20 0 CHADMN CC(C)[C@H](c1nc(C2(N)CCCCC2)no1)c1ccccc1 ZINC000424340315 330344099 /nfs/dbraw/zinc/34/40/99/330344099.db2.gz GCKLTOCNVSGANC-HNNXBMFYSA-N 0 1 299.418 3.976 20 0 CHADMN Cc1ccccc1[C@H](C)Cc1nc(C2(N)CCCCC2)no1 ZINC000424344556 330344650 /nfs/dbraw/zinc/34/46/50/330344650.db2.gz LVLSBYZDBSZZND-CQSZACIVSA-N 0 1 299.418 3.842 20 0 CHADMN Cc1cccc(/C=C\c2nc(C3(N)CCCCC3)no2)c1 ZINC000424345194 330344759 /nfs/dbraw/zinc/34/47/59/330344759.db2.gz MVINQSNNCCGWAQ-HJWRWDBZSA-N 0 1 283.375 3.667 20 0 CHADMN CCc1ccc([C@H](C)c2nc(C3(N)CCCCC3)no2)cc1 ZINC000424346629 330344800 /nfs/dbraw/zinc/34/48/00/330344800.db2.gz PQGHFVYOAKKWPL-ZDUSSCGKSA-N 0 1 299.418 3.902 20 0 CHADMN CCc1ccc([C@@H](C)c2nc(C3(N)CCCCC3)no2)cc1 ZINC000424346625 330344834 /nfs/dbraw/zinc/34/48/34/330344834.db2.gz PQGHFVYOAKKWPL-CYBMUJFWSA-N 0 1 299.418 3.902 20 0 CHADMN CC[C@@H](Cc1nc(C2(N)CCCCC2)no1)c1ccccc1 ZINC000424349199 330345074 /nfs/dbraw/zinc/34/50/74/330345074.db2.gz VDYJQKOUIZHIBS-AWEZNQCLSA-N 0 1 299.418 3.924 20 0 CHADMN C[C@H]1CCC[N@@H+](CCCC2CCCCC2)[C@@H]1C(=O)[O-] ZINC000424424134 330351546 /nfs/dbraw/zinc/35/15/46/330351546.db2.gz WAJIHEUIQKRRAK-ZFWWWQNUSA-N 0 1 267.413 3.532 20 0 CHADMN CCC1CCN(Cc2nc3ccccc3s2)CC1 ZINC000533279919 330356424 /nfs/dbraw/zinc/35/64/24/330356424.db2.gz WNRRCQCCYLVBKA-UHFFFAOYSA-N 0 1 260.406 3.918 20 0 CHADMN CN(Cc1csc(-c2ccco2)n1)C1CCCC1 ZINC000055472862 330365800 /nfs/dbraw/zinc/36/58/00/330365800.db2.gz PFIKULIUNCTYCL-UHFFFAOYSA-N 0 1 262.378 3.778 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nc(C(C)(C)C)no1 ZINC000118850256 330368258 /nfs/dbraw/zinc/36/82/58/330368258.db2.gz PYAXCGBUFPQHCN-UPJWGTAASA-N 0 1 277.412 3.520 20 0 CHADMN CC[C@@H]1CCCC[C@H]1N(C)Cc1csc(NC(C)=O)n1 ZINC000120737605 330390876 /nfs/dbraw/zinc/39/08/76/330390876.db2.gz ZRMBKLANMFVPGZ-TZMCWYRMSA-N 0 1 295.452 3.502 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](NCc1cc[nH]n1)CCC2 ZINC000090408771 330392342 /nfs/dbraw/zinc/39/23/42/330392342.db2.gz JNOOWQLBADSVIZ-QGZVFWFLSA-N 0 1 269.392 3.700 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H]2CCCc3occc32)s1 ZINC000090402471 330392418 /nfs/dbraw/zinc/39/24/18/330392418.db2.gz COEAVTLYZYMIMO-SKDRFNHKSA-N 0 1 262.378 3.773 20 0 CHADMN Fc1cccc(CN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000058889038 330394045 /nfs/dbraw/zinc/39/40/45/330394045.db2.gz TWVXHEFHMXSXES-LLVKDONJSA-N 0 1 261.262 3.600 20 0 CHADMN CCO[C@H]1C[C@@H](N[C@@H](C)c2nccs2)C1(CC)CC ZINC000091733618 330402652 /nfs/dbraw/zinc/40/26/52/330402652.db2.gz DMBMXMJSNYNPOG-XQQFMLRXSA-N 0 1 282.453 3.778 20 0 CHADMN Cc1ccc(CN2CCC(OC(C)(C)C)CC2)cc1F ZINC000092454381 330410129 /nfs/dbraw/zinc/41/01/29/330410129.db2.gz JDPAEYFFUWYFSC-UHFFFAOYSA-N 0 1 279.399 3.914 20 0 CHADMN CC(C)[C@H](C)CN[C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000537190247 330413429 /nfs/dbraw/zinc/41/34/29/330413429.db2.gz XZYKCQFJPQEUOG-DYVFJYSZSA-N 0 1 289.398 3.530 20 0 CHADMN CC(C)(C)CCN[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000541541835 330430907 /nfs/dbraw/zinc/43/09/07/330430907.db2.gz KPKGUMIPRXBSOH-MRXNPFEDSA-N 0 1 287.382 3.731 20 0 CHADMN CCC[C@@H](NCc1nc(C2CC2)no1)C1CCCCC1 ZINC000537290860 330431219 /nfs/dbraw/zinc/43/12/19/330431219.db2.gz MGTKZNXNDIKGFA-CQSZACIVSA-N 0 1 277.412 3.786 20 0 CHADMN COc1ccc2oc(CNCc3cccc(F)c3)cc2c1 ZINC000123058463 330441510 /nfs/dbraw/zinc/44/15/10/330441510.db2.gz JSPMYTHYDUDKKQ-UHFFFAOYSA-N 0 1 285.318 3.870 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@@H](C)c2c(F)cccc2F)C1(C)C ZINC000084224220 330484674 /nfs/dbraw/zinc/48/46/74/330484674.db2.gz FWKWRALESGVYBP-LEWSCRJBSA-N 0 1 283.362 3.819 20 0 CHADMN CCc1nc(C)c(CN2CCC(OCCC(C)C)CC2)o1 ZINC000428474355 330526403 /nfs/dbraw/zinc/52/64/03/330526403.db2.gz RQXJRXBQWRJJJZ-UHFFFAOYSA-N 0 1 294.439 3.573 20 0 CHADMN CC[C@H]1CCC[C@@H]1NCc1nc(CCc2ccccc2)no1 ZINC000429792795 330554996 /nfs/dbraw/zinc/55/49/96/330554996.db2.gz UZHQNURABBEJDT-HOTGVXAUSA-N 0 1 299.418 3.523 20 0 CHADMN COCCN(Cc1ccccc1)c1ccnc2ccccc21 ZINC000436425828 330677471 /nfs/dbraw/zinc/67/74/71/330677471.db2.gz AEFUZULDRHJUNY-UHFFFAOYSA-N 0 1 292.382 3.888 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H]2CCC(C)(C)C2)c1 ZINC000436646783 330682083 /nfs/dbraw/zinc/68/20/83/330682083.db2.gz PCTSSEOUVRKEOS-GFCCVEGCSA-N 0 1 289.375 3.750 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H](C)CC(C)(C)C)c1 ZINC000436643807 330682125 /nfs/dbraw/zinc/68/21/25/330682125.db2.gz GMSGMPJIUDLXMN-LLVKDONJSA-N 0 1 291.391 3.996 20 0 CHADMN CCc1cc(NC(=O)c2ccc(O)c(Cl)c2)ccc1F ZINC000436844653 330686641 /nfs/dbraw/zinc/68/66/41/330686641.db2.gz OPFPVFQBMPCQGN-UHFFFAOYSA-N 0 1 293.725 3.999 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000436867374 330687077 /nfs/dbraw/zinc/68/70/77/330687077.db2.gz DDIIOSHKYLOJII-UHFFFAOYSA-N 0 1 289.718 3.501 20 0 CHADMN CCN(C(=O)c1c(O)cccc1F)c1ccc2[nH]ccc2c1 ZINC000436874625 330687181 /nfs/dbraw/zinc/68/71/81/330687181.db2.gz AQROMFSBUKEBJG-UHFFFAOYSA-N 0 1 298.317 3.679 20 0 CHADMN C[C@@H]1CC[C@H]1N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000438073172 330714926 /nfs/dbraw/zinc/71/49/26/330714926.db2.gz KITUKFIKYDNWLJ-DFBGVHRSSA-N 0 1 289.810 3.551 20 0 CHADMN CCC(C)(C)CCNC1(c2noc(C)n2)CCCC1 ZINC000438785021 330729271 /nfs/dbraw/zinc/72/92/71/330729271.db2.gz JWRTZSAJEKACBQ-UHFFFAOYSA-N 0 1 265.401 3.563 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2cc(C(F)(F)F)n[nH]2)c1 ZINC000440821740 330756881 /nfs/dbraw/zinc/75/68/81/330756881.db2.gz BVNPGUJEPUBJIQ-LLVKDONJSA-N 0 1 297.324 3.896 20 0 CHADMN Cc1sc(NC(=O)CN2[C@H](C)CCC[C@H]2C)c(C)c1C ZINC000441304251 330765296 /nfs/dbraw/zinc/76/52/96/330765296.db2.gz FXWOLDKJLMPCHW-GHMZBOCLSA-N 0 1 294.464 3.875 20 0 CHADMN COc1c(C)cnc(CN[C@@H](C)c2cccc(C)c2)c1C ZINC000157323593 330773170 /nfs/dbraw/zinc/77/31/70/330773170.db2.gz FDYHMDRESMRXMY-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN COC[C@H](N[C@H](C)c1cccc(O)c1)c1ccc(F)cc1 ZINC000442862847 330788099 /nfs/dbraw/zinc/78/80/99/330788099.db2.gz WBJOLWLZYCULCW-PXAZEXFGSA-N 0 1 289.350 3.570 20 0 CHADMN C[C@@H](NCc1ccnc(OC2CCC2)c1)c1cccc(O)c1 ZINC000442874826 330789612 /nfs/dbraw/zinc/78/96/12/330789612.db2.gz MQGHQFQWGBTQBR-CYBMUJFWSA-N 0 1 298.386 3.569 20 0 CHADMN CC(C)CCc1noc([C@H](C)N2CCCCCC2)n1 ZINC000443091255 330794409 /nfs/dbraw/zinc/79/44/09/330794409.db2.gz ZPEPXPKPFYWSIS-ZDUSSCGKSA-N 0 1 265.401 3.595 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000443194671 330796396 /nfs/dbraw/zinc/79/63/96/330796396.db2.gz JKLIRQFAOGULJF-VXGBXAGGSA-N 0 1 296.374 3.591 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000443410151 330798987 /nfs/dbraw/zinc/79/89/87/330798987.db2.gz YWLBRQMOVZGMFV-VXGBXAGGSA-N 0 1 287.325 3.623 20 0 CHADMN CC[C@@H](NCc1ccncc1F)c1ccc(C)cc1 ZINC000449063196 330896434 /nfs/dbraw/zinc/89/64/34/330896434.db2.gz LSQUBQSMUPVMTL-MRXNPFEDSA-N 0 1 258.340 3.770 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccncc2F)c(C)s1 ZINC000449074272 330897300 /nfs/dbraw/zinc/89/73/00/330897300.db2.gz UNHVPHNQTVKQLN-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN Cc1cccc(CNC2(c3ccccc3)CC2)c1F ZINC000449124401 330900393 /nfs/dbraw/zinc/90/03/93/330900393.db2.gz QAXKPNQNVLIEJK-UHFFFAOYSA-N 0 1 255.336 3.913 20 0 CHADMN Cc1cnc(CNC[C@H]2SCCc3ccccc32)s1 ZINC000449170752 330903233 /nfs/dbraw/zinc/90/32/33/330903233.db2.gz JEWBRIKCRDDTPN-CQSZACIVSA-N 0 1 290.457 3.572 20 0 CHADMN Fc1cc(Br)cc(CN[C@H]2CCC[C@H]2F)c1 ZINC000449346270 330916750 /nfs/dbraw/zinc/91/67/50/330916750.db2.gz YTJFBSGMHZHHKH-NEPJUHHUSA-N 0 1 290.151 3.568 20 0 CHADMN Fc1cccc(-c2ccc(CN3CC4(CC4)C3)o2)c1F ZINC000449371318 330919537 /nfs/dbraw/zinc/91/95/37/330919537.db2.gz SVZMUQYPEBXKFV-UHFFFAOYSA-N 0 1 275.298 3.821 20 0 CHADMN CC1(F)CC(NCc2ncc(-c3ccccc3)s2)C1 ZINC000449371577 330919794 /nfs/dbraw/zinc/91/97/94/330919794.db2.gz WLJMPHSGLPGELC-UHFFFAOYSA-N 0 1 276.380 3.790 20 0 CHADMN FCC(CF)N[C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000449380201 330920966 /nfs/dbraw/zinc/92/09/66/330920966.db2.gz MCSQPICIGDCARP-IUODEOHRSA-N 0 1 287.781 3.948 20 0 CHADMN CCc1cccc(Cl)c1CNCc1ccnc(C)c1 ZINC000449404004 330922844 /nfs/dbraw/zinc/92/28/44/330922844.db2.gz SSQWIGMDOOWSCP-UHFFFAOYSA-N 0 1 274.795 3.896 20 0 CHADMN CCOc1c(Cl)cccc1CNCc1ccnc(C)c1 ZINC000449405658 330923095 /nfs/dbraw/zinc/92/30/95/330923095.db2.gz ZLHDVQUWQWNUJR-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN COc1ccccc1CN[C@H]1CCCN(C)c2ccccc21 ZINC000449650072 330941982 /nfs/dbraw/zinc/94/19/82/330941982.db2.gz KLMCLVUHOVFPDC-KRWDZBQOSA-N 0 1 296.414 3.756 20 0 CHADMN CC(C)CN(Cc1nnc(C2CC2)s1)CC(C)C ZINC000450260023 330968982 /nfs/dbraw/zinc/96/89/82/330968982.db2.gz ZGVKDCOBYNWKST-UHFFFAOYSA-N 0 1 267.442 3.530 20 0 CHADMN C[C@H](N[C@H]1CCC[C@H]1c1ccccc1)c1csnn1 ZINC000450823385 331001177 /nfs/dbraw/zinc/00/11/77/331001177.db2.gz UKSLLHKXQWHSRX-UBHSHLNASA-N 0 1 273.405 3.525 20 0 CHADMN CO[C@@H]([C@@H](C)Nc1ccnc2cc(F)ccc21)C1CC1 ZINC000450856969 331003171 /nfs/dbraw/zinc/00/31/71/331003171.db2.gz ISQLTLMQESRVJO-HWPZZCPQSA-N 0 1 274.339 3.599 20 0 CHADMN CC(=O)c1cccc(CN(C)Cc2cc(C(C)(C)C)[nH]n2)c1 ZINC000450870376 331003911 /nfs/dbraw/zinc/00/39/11/331003911.db2.gz LPYGCFFWGVIFAS-UHFFFAOYSA-N 0 1 299.418 3.542 20 0 CHADMN CCn1cc([C@@H](C)Nc2ccnc3cc(F)ccc32)cn1 ZINC000450880968 331004408 /nfs/dbraw/zinc/00/44/08/331004408.db2.gz XQOTVQARUKUCCT-LLVKDONJSA-N 0 1 284.338 3.763 20 0 CHADMN Cc1noc([C@@H]2CCCCN2CCC2=CCCCC2)n1 ZINC000450988792 331010541 /nfs/dbraw/zinc/01/05/41/331010541.db2.gz CFRMBVYAQNCYRB-HNNXBMFYSA-N 0 1 275.396 3.796 20 0 CHADMN Cc1noc([C@@H]2CCCN2CC/C=C/c2ccccc2)n1 ZINC000451008213 331011571 /nfs/dbraw/zinc/01/15/71/331011571.db2.gz LPAQTBXUFHDYFV-YKXBDCQTSA-N 0 1 283.375 3.618 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2OC2CC2)CCC1(F)F ZINC000451040728 331013162 /nfs/dbraw/zinc/01/31/62/331013162.db2.gz HIYVGVKUBLKXPZ-GFCCVEGCSA-N 0 1 281.346 3.705 20 0 CHADMN Cc1cccc(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000451047166 331013398 /nfs/dbraw/zinc/01/33/98/331013398.db2.gz AYXAZIIZADBWMJ-KGLIPLIRSA-N 0 1 286.341 3.943 20 0 CHADMN C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CC[C@@H](F)C1 ZINC000451195494 331019879 /nfs/dbraw/zinc/01/98/79/331019879.db2.gz XRCLYBQKDLNEEN-GXSJLCMTSA-N 0 1 277.261 3.690 20 0 CHADMN CC1(C)OCC[C@H]1NCc1nc(C2CCCCC2)cs1 ZINC000451245070 331021738 /nfs/dbraw/zinc/02/17/38/331021738.db2.gz SVOKNWWJGUBFMH-CQSZACIVSA-N 0 1 294.464 3.848 20 0 CHADMN CC(=O)Nc1nc(CN2CCC[C@]2(C)CC(C)C)cs1 ZINC000451295634 331023526 /nfs/dbraw/zinc/02/35/26/331023526.db2.gz ZTWWZJCGLOSPHL-OAHLLOKOSA-N 0 1 295.452 3.502 20 0 CHADMN CCO[C@@H](C)c1noc(CN2CCC[C@@]2(C)CC(C)C)n1 ZINC000451294291 331023537 /nfs/dbraw/zinc/02/35/37/331023537.db2.gz XHZAGPLRNKSRMT-BBRMVZONSA-N 0 1 295.427 3.568 20 0 CHADMN CC(C)O[C@H]1C[C@H](NCc2cc(C(C)(C)C)on2)C1(C)C ZINC000451497563 331031583 /nfs/dbraw/zinc/03/15/83/331031583.db2.gz LGNHRHRTMYLAKZ-ZFWWWQNUSA-N 0 1 294.439 3.654 20 0 CHADMN CO[C@@H]1C[C@@H](NCc2csc(C3CCCC3)n2)C1(C)C ZINC000451494597 331031601 /nfs/dbraw/zinc/03/16/01/331031601.db2.gz KZORSNCMWDDJPI-ZIAGYGMSSA-N 0 1 294.464 3.704 20 0 CHADMN CC(C)O[C@@H]1C[C@H](NCc2nc3ccccc3o2)C1(C)C ZINC000451502998 331031767 /nfs/dbraw/zinc/03/17/67/331031767.db2.gz QLBXJOPORBYULY-LSDHHAIUSA-N 0 1 288.391 3.510 20 0 CHADMN CCO[C@@H]1CCN(Cc2cc(OC)ccc2Cl)C[C@@H]1C ZINC000451548265 331033727 /nfs/dbraw/zinc/03/37/27/331033727.db2.gz UZERAFKQUPHORJ-BLLLJJGKSA-N 0 1 297.826 3.596 20 0 CHADMN CC(C)CCOCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451836880 331044204 /nfs/dbraw/zinc/04/42/04/331044204.db2.gz LONPBSGELFSJBO-MRXNPFEDSA-N 0 1 277.408 3.869 20 0 CHADMN CCSCCN1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451878994 331045986 /nfs/dbraw/zinc/04/59/86/331045986.db2.gz OYIRUXYGIJMEHY-HNNXBMFYSA-N 0 1 289.448 3.843 20 0 CHADMN FCCCCN1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451880584 331046160 /nfs/dbraw/zinc/04/61/60/331046160.db2.gz WZDCNXTUXKDMHJ-OAHLLOKOSA-N 0 1 275.371 3.840 20 0 CHADMN C[C@@H](NCc1ncc(C(C)(C)C)o1)C1CCCC1 ZINC000451928761 331047470 /nfs/dbraw/zinc/04/74/70/331047470.db2.gz GDUDDZLGMLPMOM-LLVKDONJSA-N 0 1 250.386 3.640 20 0 CHADMN CC[C@@H]1CC[C@H](C)N(CC(=O)Nc2c(C)cccc2C)C1 ZINC000451953361 331048162 /nfs/dbraw/zinc/04/81/62/331048162.db2.gz JMJFPQOHZORQLQ-JKSUJKDBSA-N 0 1 288.435 3.752 20 0 CHADMN CC(C)c1noc([C@H](C)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)n1 ZINC000452041240 331051692 /nfs/dbraw/zinc/05/16/92/331051692.db2.gz JEUWMSMJCMYBNY-RKWLLSJHSA-N 0 1 289.423 3.622 20 0 CHADMN CC(C)c1nnc(CN2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)s1 ZINC000452042789 331051876 /nfs/dbraw/zinc/05/18/76/331051876.db2.gz FUOLOZMLYOVBQI-LMOYCYGVSA-N 0 1 291.464 3.530 20 0 CHADMN CC(C)c1nnc(CN(C(C)C)C2CC(C)(C)C2)o1 ZINC000452108873 331054560 /nfs/dbraw/zinc/05/45/60/331054560.db2.gz WPAJCUDIOQHXDX-UHFFFAOYSA-N 0 1 265.401 3.592 20 0 CHADMN COC[C@@H]1CCCN(Cc2cccc(F)c2Cl)CC1 ZINC000452110495 331054693 /nfs/dbraw/zinc/05/46/93/331054693.db2.gz ZGOAMQLDGFCBNY-GFCCVEGCSA-N 0 1 285.790 3.728 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@]2(C)CC=CCC2)c1 ZINC000452194900 331058003 /nfs/dbraw/zinc/05/80/03/331058003.db2.gz MVYDYDVGLGINIL-QGZVFWFLSA-N 0 1 287.359 3.670 20 0 CHADMN C[C@H](N[C@@H]1CC(C)(C)C[C@@H]1C)c1nc(C(C)(C)C)no1 ZINC000194859163 331066260 /nfs/dbraw/zinc/06/62/60/331066260.db2.gz VNMBGJQEFVQFLD-SDDRHHMPSA-N 0 1 279.428 3.842 20 0 CHADMN CCOc1ccccc1CN[C@H](CC)c1ccncc1 ZINC000453068502 331086222 /nfs/dbraw/zinc/08/62/22/331086222.db2.gz MUGCXTGZILYRPQ-MRXNPFEDSA-N 0 1 270.376 3.721 20 0 CHADMN CCCOc1ccc([C@H](C)N[C@@H](C)c2ccncn2)cc1 ZINC000453094980 331088583 /nfs/dbraw/zinc/08/85/83/331088583.db2.gz UKRBFMXCHUBJDZ-KBPBESRZSA-N 0 1 285.391 3.677 20 0 CHADMN CCOc1ncccc1CN[C@H](CC)c1ccsc1 ZINC000453099000 331088980 /nfs/dbraw/zinc/08/89/80/331088980.db2.gz XOAIOFQJRUJXIV-CQSZACIVSA-N 0 1 276.405 3.783 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H](C)c1ccncn1)C1CC1 ZINC000453120662 331091266 /nfs/dbraw/zinc/09/12/66/331091266.db2.gz MWPRWPUXKGIMPV-SUMWQHHRSA-N 0 1 267.376 3.587 20 0 CHADMN CC[C@H](NCC(=O)N(C)C1CCCCC1)c1ccsc1 ZINC000453131963 331092476 /nfs/dbraw/zinc/09/24/76/331092476.db2.gz MFRGUZZOEQCFSG-HNNXBMFYSA-N 0 1 294.464 3.580 20 0 CHADMN CC[C@H](N[C@H](CO)c1ccc(F)cc1)c1ccsc1 ZINC000453147995 331094244 /nfs/dbraw/zinc/09/42/44/331094244.db2.gz QEZVXALGEQRUOQ-LSDHHAIUSA-N 0 1 279.380 3.662 20 0 CHADMN CC[C@@H](N[C@H]1COc2c1ccc(C)c2C)c1ccncc1 ZINC000453160487 331095543 /nfs/dbraw/zinc/09/55/43/331095543.db2.gz OUMKAACTEXBJMX-SJORKVTESA-N 0 1 282.387 3.873 20 0 CHADMN C[C@@H](NC1(c2ccc(Cl)cc2)CCC1)c1ccncn1 ZINC000453163625 331095897 /nfs/dbraw/zinc/09/58/97/331095897.db2.gz OKFSBWOLKQGUKP-GFCCVEGCSA-N 0 1 287.794 3.860 20 0 CHADMN CC[C@H](NC1(c2cccc(F)c2)CC1)c1ccncc1 ZINC000453172798 331096948 /nfs/dbraw/zinc/09/69/48/331096948.db2.gz YOORYJLVEYHGDP-INIZCTEOSA-N 0 1 270.351 3.951 20 0 CHADMN Cc1cc([C@H](N[C@H](C)c2ccncn2)C2CC2)ccc1F ZINC000453178337 331097577 /nfs/dbraw/zinc/09/75/77/331097577.db2.gz OCKNXZBKHQANAE-SJKOYZFVSA-N 0 1 285.366 3.726 20 0 CHADMN C[C@@H]1CC[C@@H](N[C@H](CCO)c2ccco2)c2sccc21 ZINC000453188641 331099110 /nfs/dbraw/zinc/09/91/10/331099110.db2.gz ABLOUYHBHYDAHF-MRVWCRGKSA-N 0 1 291.416 3.993 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](N[C@@H](C)c1ccncn1)CC2 ZINC000453193500 331099736 /nfs/dbraw/zinc/09/97/36/331099736.db2.gz FHOJBZXGMVZLDD-SCLBCKFNSA-N 0 1 281.403 3.938 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN[C@H](C)c1ccncn1 ZINC000453218424 331102886 /nfs/dbraw/zinc/10/28/86/331102886.db2.gz LHJQYEKCDIXHIN-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN CC[C@@H](N[C@H]1CCOc2c(F)cccc21)c1ccncc1 ZINC000453232508 331104758 /nfs/dbraw/zinc/10/47/58/331104758.db2.gz VZRQZACSKMRWCY-CVEARBPZSA-N 0 1 286.350 3.785 20 0 CHADMN C[C@H](NC1CC(C)(F)C1)c1ncc(-c2ccccc2)n1C ZINC000453238124 331105432 /nfs/dbraw/zinc/10/54/32/331105432.db2.gz NOIKDJQUGQKBOC-MKQDKFQKSA-N 0 1 287.382 3.628 20 0 CHADMN COc1ccncc1CN[C@H]1CC[C@@H](C)c2ccsc21 ZINC000453248865 331107270 /nfs/dbraw/zinc/10/72/70/331107270.db2.gz XOYUSECGMLLBLZ-RISCZKNCSA-N 0 1 288.416 3.880 20 0 CHADMN CC[C@H](NCc1ccnc(C)c1)c1cc(C)ccc1OC ZINC000453289771 331111669 /nfs/dbraw/zinc/11/16/69/331111669.db2.gz MQONJFFCUMBSMS-KRWDZBQOSA-N 0 1 284.403 3.948 20 0 CHADMN CC[C@@H]1CCC[C@H]1CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000453291185 331111871 /nfs/dbraw/zinc/11/18/71/331111871.db2.gz SKNPUUUVUDXETA-PVAVHDDUSA-N 0 1 283.419 3.915 20 0 CHADMN CC[C@@H](NCc1ccnc(C)c1)c1cc(F)ccc1F ZINC000453299476 331112909 /nfs/dbraw/zinc/11/29/09/331112909.db2.gz VRUPZYDHGKZEKB-MRXNPFEDSA-N 0 1 276.330 3.909 20 0 CHADMN Cc1cc(CN[C@H](C)c2cnn(C3CCCC3)c2)ccn1 ZINC000453300012 331112975 /nfs/dbraw/zinc/11/29/75/331112975.db2.gz WRBQWKUHHLWABI-CQSZACIVSA-N 0 1 284.407 3.552 20 0 CHADMN CCC[C@H](NCc1ncc(C(F)(F)F)cn1)C(C)(C)C ZINC000453304900 331113877 /nfs/dbraw/zinc/11/38/77/331113877.db2.gz IFIJOTYDTPTUIZ-NSHDSACASA-N 0 1 289.345 3.800 20 0 CHADMN CC/C=C\CN[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000453310859 331114704 /nfs/dbraw/zinc/11/47/04/331114704.db2.gz GGRPXXYKJVDTQR-ISALQUGTSA-N 0 1 277.799 3.844 20 0 CHADMN Cc1ccncc1CN[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000453336782 331118565 /nfs/dbraw/zinc/11/85/65/331118565.db2.gz YWDBNWCATPZSSU-AWEZNQCLSA-N 0 1 284.407 3.552 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2cc(F)c(F)c(F)c2)cn1 ZINC000453347982 331120227 /nfs/dbraw/zinc/12/02/27/331120227.db2.gz GSLQHSJLMLQWAU-NSHDSACASA-N 0 1 294.320 3.967 20 0 CHADMN CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1cccc(C)c1 ZINC000453365638 331123313 /nfs/dbraw/zinc/12/33/13/331123313.db2.gz SNIDQZYSVIQRPK-CWRNSKLLSA-N 0 1 269.392 3.938 20 0 CHADMN CC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1cccc(C)c1 ZINC000453365640 331123337 /nfs/dbraw/zinc/12/33/37/331123337.db2.gz SNIDQZYSVIQRPK-VNQPRFMTSA-N 0 1 269.392 3.938 20 0 CHADMN CCc1nc(C)c([C@@H](C)NCc2cnc(C)cc2C)s1 ZINC000453371058 331124089 /nfs/dbraw/zinc/12/40/89/331124089.db2.gz RSGCTVYJMIJDKR-GFCCVEGCSA-N 0 1 289.448 3.877 20 0 CHADMN Cc1cccc2c1CC[C@H]2NCc1cnc(C2CC2)o1 ZINC000453380911 331125730 /nfs/dbraw/zinc/12/57/30/331125730.db2.gz ZQLVCGPEOWRPCC-MRXNPFEDSA-N 0 1 268.360 3.638 20 0 CHADMN C[C@@H](NCCOCC1CCCC1)c1ccc(Cl)cn1 ZINC000453396047 331128052 /nfs/dbraw/zinc/12/80/52/331128052.db2.gz KMRIYPMOOQMUOA-GFCCVEGCSA-N 0 1 282.815 3.592 20 0 CHADMN CCCc1ncc(CN[C@H](c2ccccc2)C2CC2)o1 ZINC000453396731 331128138 /nfs/dbraw/zinc/12/81/38/331128138.db2.gz VJFPNQUTEASWFG-QGZVFWFLSA-N 0 1 270.376 3.868 20 0 CHADMN CCC(C)(C)OCCN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000453404112 331129092 /nfs/dbraw/zinc/12/90/92/331129092.db2.gz HSQLMMZRZCIKLF-LBPRGKRZSA-N 0 1 296.480 3.878 20 0 CHADMN FC1(F)CC(CCN[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000453423356 331130718 /nfs/dbraw/zinc/13/07/18/331130718.db2.gz MZSHTCOIMJZUHM-AWEZNQCLSA-N 0 1 291.345 3.524 20 0 CHADMN CC[C@]1(C(C)C)C[C@@H]1N[C@H](c1ccccc1)c1cncnc1 ZINC000453458275 331132528 /nfs/dbraw/zinc/13/25/28/331132528.db2.gz VUUDSXLZDUCDQY-IPMKNSEASA-N 0 1 295.430 3.980 20 0 CHADMN Cc1cc(Br)c(CN(C)C2CCC2)s1 ZINC000453579653 331134751 /nfs/dbraw/zinc/13/47/51/331134751.db2.gz PVIHQCUNSCBRPY-UHFFFAOYSA-N 0 1 274.227 3.803 20 0 CHADMN Cc1ccc(CCNCc2c(F)cccc2Cl)nc1 ZINC000453605606 331136095 /nfs/dbraw/zinc/13/60/95/331136095.db2.gz UPTQTLGWAQDSBY-UHFFFAOYSA-N 0 1 278.758 3.515 20 0 CHADMN COC1(C[C@@H](C)Nc2ccc3cnccc3c2)CCC1 ZINC000453611498 331136424 /nfs/dbraw/zinc/13/64/24/331136424.db2.gz IXXBPMWZSWMHSE-CYBMUJFWSA-N 0 1 270.376 3.994 20 0 CHADMN CCC(C)(C)OCCNCc1ncc(C(C)C)s1 ZINC000453620207 331136857 /nfs/dbraw/zinc/13/68/57/331136857.db2.gz VFUOJZCEYLUKMD-UHFFFAOYSA-N 0 1 270.442 3.561 20 0 CHADMN Cc1ccc(CN2Cc3sccc3CC2(C)C)cn1 ZINC000453628854 331137409 /nfs/dbraw/zinc/13/74/09/331137409.db2.gz XETPNEPPTXSDKG-UHFFFAOYSA-N 0 1 272.417 3.788 20 0 CHADMN C[N@@H+](CCCC(=O)[O-])CC1CCC(c2ccccc2)CC1 ZINC000455645682 331174607 /nfs/dbraw/zinc/17/46/07/331174607.db2.gz PIHRNAQCCRRGHV-UHFFFAOYSA-N 0 1 289.419 3.757 20 0 CHADMN CCCCC[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000455646031 331174747 /nfs/dbraw/zinc/17/47/47/331174747.db2.gz ROFOUJOKROXXTG-INIZCTEOSA-N 0 1 275.392 3.930 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)[nH]1 ZINC000456352094 331190605 /nfs/dbraw/zinc/19/06/05/331190605.db2.gz UQHJPYAYWWMMPJ-WMLDXEAASA-N 0 1 299.418 3.624 20 0 CHADMN CC(C)N(C(=O)c1cccc2n[nH]cc21)C1CC(C)(C)C1 ZINC000457072049 331211464 /nfs/dbraw/zinc/21/14/64/331211464.db2.gz KOSKIZRPEQJJSR-UHFFFAOYSA-N 0 1 285.391 3.602 20 0 CHADMN CC(C)[C@H]1N(C(=O)c2c(O)cccc2F)CC12CCCC2 ZINC000457132526 331212700 /nfs/dbraw/zinc/21/27/00/331212700.db2.gz CRUOKOBWKFQOMP-OAHLLOKOSA-N 0 1 291.366 3.572 20 0 CHADMN CC(C)[C@@H]1N(C(=O)c2[nH]nc3ccccc32)CC12CCCC2 ZINC000457178563 331213848 /nfs/dbraw/zinc/21/38/48/331213848.db2.gz VFBAYVJEWJIJCN-INIZCTEOSA-N 0 1 297.402 3.604 20 0 CHADMN CC(C)[C@H]1N(C(=O)c2cccc3c[nH]nc32)CC12CCCC2 ZINC000457180253 331214086 /nfs/dbraw/zinc/21/40/86/331214086.db2.gz WJWVFVWIVQIISV-MRXNPFEDSA-N 0 1 297.402 3.604 20 0 CHADMN CC1(CC(=O)Nc2ccc(F)c(F)c2O)CCCC1 ZINC000457319899 331218940 /nfs/dbraw/zinc/21/89/40/331218940.db2.gz YLCDLPKYYSSNJT-UHFFFAOYSA-N 0 1 269.291 3.579 20 0 CHADMN CC(C)CCCCC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000457421156 331222337 /nfs/dbraw/zinc/22/23/37/331222337.db2.gz KQLJQDMMTKREAP-HNNXBMFYSA-N 0 1 296.480 3.683 20 0 CHADMN CC[C@H](CC(F)F)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000457757289 331233456 /nfs/dbraw/zinc/23/34/56/331233456.db2.gz XDUSKPIYLKPEJY-ZCFIWIBFSA-N 0 1 295.688 3.805 20 0 CHADMN CC(C)CC1(C(=O)NCc2ccc3cncn3c2)CCCC1 ZINC000457981999 331238520 /nfs/dbraw/zinc/23/85/20/331238520.db2.gz YIMPSQVRRKALQS-UHFFFAOYSA-N 0 1 299.418 3.557 20 0 CHADMN CCC[C@@H](NC(=O)Cc1[nH]nc2ccccc21)C1CCCC1 ZINC000458347087 331249653 /nfs/dbraw/zinc/24/96/53/331249653.db2.gz SGJAWUSPVVAQKM-OAHLLOKOSA-N 0 1 299.418 3.581 20 0 CHADMN Fc1ccc([C@H]2CCCN2CCn2cc(Cl)cn2)cc1 ZINC000459290024 331274647 /nfs/dbraw/zinc/27/46/47/331274647.db2.gz LERUCUWDZPDYAQ-OAHLLOKOSA-N 0 1 293.773 3.513 20 0 CHADMN CCOc1cc(CN(C)Cc2cccc(F)c2)ccc1O ZINC000459292588 331274877 /nfs/dbraw/zinc/27/48/77/331274877.db2.gz NWHLWGPAZQCIGQ-UHFFFAOYSA-N 0 1 289.350 3.562 20 0 CHADMN c1cc([C@H]2CN(C[C@@H]3C[C@H]3c3ccccc3)CCO2)cs1 ZINC000459341270 331276968 /nfs/dbraw/zinc/27/69/68/331276968.db2.gz OACHMUQHNOBPTL-OKZBNKHCSA-N 0 1 299.439 3.925 20 0 CHADMN CCc1ccc([C@H](C)NCc2cnc(C3CC3)nc2)cc1 ZINC000459370498 331278715 /nfs/dbraw/zinc/27/87/15/331278715.db2.gz OWWNXUGOAHUGDI-ZDUSSCGKSA-N 0 1 281.403 3.767 20 0 CHADMN COCc1cc(CN2CCCC3(C2)CCCCCC3)no1 ZINC000459375116 331278951 /nfs/dbraw/zinc/27/89/51/331278951.db2.gz MGHITUOYVGTCEL-UHFFFAOYSA-N 0 1 292.423 3.757 20 0 CHADMN Cc1cc(CNCCCCOc2ccc(Cl)cc2)no1 ZINC000459391043 331279688 /nfs/dbraw/zinc/27/96/88/331279688.db2.gz UMNJZFKXPZHOON-UHFFFAOYSA-N 0 1 294.782 3.585 20 0 CHADMN Cc1cc(CNCCc2cc(Cl)cc(Cl)c2)no1 ZINC000459391824 331279734 /nfs/dbraw/zinc/27/97/34/331279734.db2.gz RSXATDYWDMFUTN-UHFFFAOYSA-N 0 1 285.174 3.622 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2cc(=O)[nH]c(C3CC3)n2)c1 ZINC000459392592 331279852 /nfs/dbraw/zinc/27/98/52/331279852.db2.gz LRDKODACQIXDCL-CYBMUJFWSA-N 0 1 297.402 3.527 20 0 CHADMN CCn1nncc1CN1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000459400169 331279904 /nfs/dbraw/zinc/27/99/04/331279904.db2.gz ZPDHBFKLCGZMHX-SFHVURJKSA-N 0 1 298.434 3.759 20 0 CHADMN Cc1cnc([C@@H](NCCOCC2CCCC2)C2CC2)s1 ZINC000459402518 331280117 /nfs/dbraw/zinc/28/01/17/331280117.db2.gz JWFSYGHPMAUMRN-HNNXBMFYSA-N 0 1 294.464 3.699 20 0 CHADMN Cc1cc(CN[C@H](C)Cc2ccc(C(C)C)cc2)no1 ZINC000459430564 331281028 /nfs/dbraw/zinc/28/10/28/331281028.db2.gz DRQMGTYKCCOXNH-CYBMUJFWSA-N 0 1 272.392 3.827 20 0 CHADMN Cc1cc(C[C@H](C)[NH2+]Cc2c(F)cc(C)cc2Cl)n[nH]1 ZINC000459454435 331282214 /nfs/dbraw/zinc/28/22/14/331282214.db2.gz YIAQCEYXSGLPAH-JTQLQIEISA-N 0 1 295.789 3.540 20 0 CHADMN Cc1cc(CNCCCOc2ccc(Cl)cc2C)no1 ZINC000459468632 331283240 /nfs/dbraw/zinc/28/32/40/331283240.db2.gz LNYDZWOPZHWLNT-UHFFFAOYSA-N 0 1 294.782 3.504 20 0 CHADMN COCc1cc(CN2CC[C@@H](C)C3(CCCCC3)C2)no1 ZINC000459483104 331284193 /nfs/dbraw/zinc/28/41/93/331284193.db2.gz RPZJASCQEYZADY-CQSZACIVSA-N 0 1 292.423 3.613 20 0 CHADMN CC[C@H]1CCN1Cc1c(C)nc2scc(C3CC3)n12 ZINC000459561334 331287892 /nfs/dbraw/zinc/28/78/92/331287892.db2.gz ROZCVBCFWZTYLL-LBPRGKRZSA-N 0 1 275.421 3.566 20 0 CHADMN Cc1cc(F)c(CNCCC(C)(F)F)c(Cl)c1 ZINC000459561513 331287940 /nfs/dbraw/zinc/28/79/40/331287940.db2.gz DZOGRQFUIULVOV-UHFFFAOYSA-N 0 1 265.706 3.922 20 0 CHADMN O[C@H](CN1CC2(CCCC2)[C@@H]1c1ccccc1)C(F)(F)F ZINC000459576980 331288958 /nfs/dbraw/zinc/28/89/58/331288958.db2.gz LNEMTUYTSWVSOG-KGLIPLIRSA-N 0 1 299.336 3.527 20 0 CHADMN CCC1(CC)CN(Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000459600816 331290248 /nfs/dbraw/zinc/29/02/48/331290248.db2.gz VPQXMGDGSPSTIA-UHFFFAOYSA-N 0 1 298.434 3.506 20 0 CHADMN C(=C\c1ccccc1)\CN1CC(COc2ccccc2)C1 ZINC000459629557 331291173 /nfs/dbraw/zinc/29/11/73/331291173.db2.gz HISPGRDIFYXIST-YFHOEESVSA-N 0 1 279.383 3.711 20 0 CHADMN CCC1(C)CN(Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000459632484 331291366 /nfs/dbraw/zinc/29/13/66/331291366.db2.gz KBXXNEJQLYYABQ-UHFFFAOYSA-N 0 1 275.392 3.564 20 0 CHADMN COCCC1(C)CN(CCCc2c(F)cccc2Cl)C1 ZINC000459639985 331291760 /nfs/dbraw/zinc/29/17/60/331291760.db2.gz WIMOCKXUSYQXIP-UHFFFAOYSA-N 0 1 299.817 3.770 20 0 CHADMN CC(C)c1ncc(CN2CC(C(C)(C)C)C2)s1 ZINC000459649917 331292202 /nfs/dbraw/zinc/29/22/02/331292202.db2.gz WMCIXYDMDQOZQS-UHFFFAOYSA-N 0 1 252.427 3.744 20 0 CHADMN Cc1ccc(CNCc2cccc(OC(F)F)c2)nc1C ZINC000459660723 331292732 /nfs/dbraw/zinc/29/27/32/331292732.db2.gz FKTNZWLDILGQFL-UHFFFAOYSA-N 0 1 292.329 3.590 20 0 CHADMN Fc1cccc(Cl)c1[C@@H]1C[C@H]1NCc1ccco1 ZINC000459664617 331293005 /nfs/dbraw/zinc/29/30/05/331293005.db2.gz ISWLBQZGVXBVJW-ZWNOBZJWSA-N 0 1 265.715 3.718 20 0 CHADMN CC(C)OCCCN1CCc2cccc(Cl)c2C1 ZINC000459668369 331293233 /nfs/dbraw/zinc/29/32/33/331293233.db2.gz CCOWODSPKKYMGT-UHFFFAOYSA-N 0 1 267.800 3.513 20 0 CHADMN [O-]c1cccc(C[NH2+]C2CCC(C(F)F)CC2)c1Cl ZINC000459707342 331295239 /nfs/dbraw/zinc/29/52/39/331295239.db2.gz IKDAMPBJCGFFNI-UHFFFAOYSA-N 0 1 289.753 3.959 20 0 CHADMN CCC1(c2ccccc2)CN(Cc2scnc2C)C1 ZINC000459737847 331297143 /nfs/dbraw/zinc/29/71/43/331297143.db2.gz AYIDXWPSJUYVSD-UHFFFAOYSA-N 0 1 272.417 3.615 20 0 CHADMN Cc1cccc(-c2noc(CN(C)C3CC(C)(C)C3)n2)c1 ZINC000459747653 331298066 /nfs/dbraw/zinc/29/80/66/331298066.db2.gz WJPBCENRBYAHJP-UHFFFAOYSA-N 0 1 285.391 3.665 20 0 CHADMN COc1c(O)cccc1CN[C@@H](C)c1ccc(Cl)cc1 ZINC000459764966 331299425 /nfs/dbraw/zinc/29/94/25/331299425.db2.gz OBXWVELHURWIQP-NSHDSACASA-N 0 1 291.778 3.905 20 0 CHADMN CCc1cnc(CN[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)s1 ZINC000459768141 331299757 /nfs/dbraw/zinc/29/97/57/331299757.db2.gz QEUNEHYUBLRYFV-QWHCGFSZSA-N 0 1 296.480 3.777 20 0 CHADMN CC[C@@H]1OCC[C@H]1N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000459775108 331300316 /nfs/dbraw/zinc/30/03/16/331300316.db2.gz LZOVHCWXXHCALI-YUELXQCFSA-N 0 1 286.375 3.560 20 0 CHADMN C[C@H](N[C@@H]1CCC(C)(C)c2ccccc21)c1ccn(C)n1 ZINC000459788432 331301026 /nfs/dbraw/zinc/30/10/26/331301026.db2.gz LPMOBSRBLVSUCV-SUMWQHHRSA-N 0 1 283.419 3.883 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2ccccc2c1)c1ccn(C)n1 ZINC000459792712 331301245 /nfs/dbraw/zinc/30/12/45/331301245.db2.gz OJRPXPRRKGOXNB-UONOGXRCSA-N 0 1 279.387 3.985 20 0 CHADMN CCC[C@@H](NCc1nc(C2CCCC2)no1)C1CCC1 ZINC000459807757 331301819 /nfs/dbraw/zinc/30/18/19/331301819.db2.gz RKCJIOZTWISRRG-CQSZACIVSA-N 0 1 277.412 3.786 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1F ZINC000167037702 331307820 /nfs/dbraw/zinc/30/78/20/331307820.db2.gz WNZXWGVECYJPPM-GFCCVEGCSA-N 0 1 299.773 3.698 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000167044732 331307877 /nfs/dbraw/zinc/30/78/77/331307877.db2.gz VXKMXDLHNCQRFA-NSHDSACASA-N 0 1 299.773 3.556 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N(C)CCCc1ccncc1 ZINC000462321450 331319619 /nfs/dbraw/zinc/31/96/19/331319619.db2.gz MXXSNSIIXMNZDM-ZDUSSCGKSA-N 0 1 290.357 3.985 20 0 CHADMN Cc1ccc(O[C@H](C)CNCc2c(F)cccc2F)cc1 ZINC000462741163 331326799 /nfs/dbraw/zinc/32/67/99/331326799.db2.gz SLQFKNPGBJKGSU-CYBMUJFWSA-N 0 1 291.341 3.830 20 0 CHADMN Oc1ccc2c(c1)C1(CC1)CN(C/C=C\c1ccccc1)C2 ZINC000462833676 331331957 /nfs/dbraw/zinc/33/19/57/331331957.db2.gz MENRNULRACCLPC-DAXSKMNVSA-N 0 1 291.394 3.953 20 0 CHADMN CCCC[C@H](C)C(=O)Nc1cc(C(=O)CC)ccc1O ZINC000462935739 331335443 /nfs/dbraw/zinc/33/54/43/331335443.db2.gz QBQPYKDWRACBCC-NSHDSACASA-N 0 1 277.364 3.750 20 0 CHADMN CCC[C@@H]1C[C@H]1c1nc(Cc2nc3cccc(C)c3[nH]2)no1 ZINC000463054785 331338846 /nfs/dbraw/zinc/33/88/46/331338846.db2.gz HIYZKMOASLIKBE-VXGBXAGGSA-N 0 1 296.374 3.749 20 0 CHADMN Cc1ccc(CN(C(C)C)[C@@H]2CCOC2)c(Cl)c1 ZINC000463227223 331343112 /nfs/dbraw/zinc/34/31/12/331343112.db2.gz DNEGXNINIBDWNY-CQSZACIVSA-N 0 1 267.800 3.648 20 0 CHADMN CC(C)(CCc1nc(C2(N)CCCC2)no1)c1ccccc1 ZINC000463456186 331348149 /nfs/dbraw/zinc/34/81/49/331348149.db2.gz ODXUPOPVRDTYBP-UHFFFAOYSA-N 0 1 299.418 3.708 20 0 CHADMN CC[C@@]1(C)CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000464588162 331363468 /nfs/dbraw/zinc/36/34/68/331363468.db2.gz VOHHGJHHXKNGFR-SFHVURJKSA-N 0 1 297.402 3.729 20 0 CHADMN CC[C@H]1CN([C@H](C)c2ccc(F)c(F)c2)CCS1 ZINC000464789570 331368381 /nfs/dbraw/zinc/36/83/81/331368381.db2.gz OVAVOCKLFHYDAT-PWSUYJOCSA-N 0 1 271.376 3.853 20 0 CHADMN CCc1ccc(-c2noc(CN3C[C@H](C)CC[C@@H]3C)n2)cc1 ZINC000464812648 331369376 /nfs/dbraw/zinc/36/93/76/331369376.db2.gz FWPQWZJDUDBTTK-KGLIPLIRSA-N 0 1 299.418 3.919 20 0 CHADMN C[C@H]1CCCN1CCOc1c(Cl)cccc1Cl ZINC000464840051 331370632 /nfs/dbraw/zinc/37/06/32/331370632.db2.gz SGYRCJNDXAXTDT-JTQLQIEISA-N 0 1 274.191 3.857 20 0 CHADMN Fc1ccc2oc(CN3CC[C@H]3Cc3ccccc3)nc2c1 ZINC000464883212 331372659 /nfs/dbraw/zinc/37/26/59/331372659.db2.gz NZXIMENMJSJYMP-HNNXBMFYSA-N 0 1 296.345 3.784 20 0 CHADMN Cc1ccc2nc(CNC(=O)C[C@@H](C)C(C)(C)C)[nH]c2c1 ZINC000465195461 331380339 /nfs/dbraw/zinc/38/03/39/331380339.db2.gz UKIYCZVDTKUKAK-GFCCVEGCSA-N 0 1 287.407 3.560 20 0 CHADMN CCc1ccc(-c2noc(CN3[C@@H](C)CC[C@@H]3C)n2)cc1 ZINC000466675896 331402291 /nfs/dbraw/zinc/40/22/91/331402291.db2.gz CSSYFAXBWIWZDS-STQMWFEESA-N 0 1 285.391 3.672 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@H]1COc2ccc(F)cc21 ZINC000467000906 331410011 /nfs/dbraw/zinc/41/00/11/331410011.db2.gz BIRORPNFYDQIBW-WBMJQRKESA-N 0 1 271.335 3.918 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccc(SC)cc1)c1ccn(C)n1 ZINC000467420983 331418562 /nfs/dbraw/zinc/41/85/62/331418562.db2.gz UMSWUQTZMDWNPD-SWLSCSKDSA-N 0 1 289.448 3.944 20 0 CHADMN Clc1cnc(CN[C@@H]2C[C@@H]2C2CCCCC2)s1 ZINC000472047145 331526896 /nfs/dbraw/zinc/52/68/96/331526896.db2.gz DLTZGJOUSKORFS-GHMZBOCLSA-N 0 1 270.829 3.855 20 0 CHADMN C[C@@H]1CCC[C@@H]1CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000474427304 331586433 /nfs/dbraw/zinc/58/64/33/331586433.db2.gz PCPMFPJESHDTMN-RKDXNWHRSA-N 0 1 285.746 3.950 20 0 CHADMN CCc1ccccc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474425270 331586477 /nfs/dbraw/zinc/58/64/77/331586477.db2.gz HJEBKYQXAYLRHD-UHFFFAOYSA-N 0 1 293.725 3.999 20 0 CHADMN CCC(C)(C)CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000474430857 331586648 /nfs/dbraw/zinc/58/66/48/331586648.db2.gz LYKASGRGLPGMQC-UHFFFAOYSA-N 0 1 273.735 3.950 20 0 CHADMN C[C@@H]1CC[C@@H](CC(=O)Nc2cc(F)cc(Cl)c2O)C1 ZINC000474444873 331587168 /nfs/dbraw/zinc/58/71/68/331587168.db2.gz IYPSMGBIUBZHOL-RKDXNWHRSA-N 0 1 285.746 3.950 20 0 CHADMN CCc1cccc(F)c1CNCc1cc(F)cc(F)c1 ZINC000474467255 331588052 /nfs/dbraw/zinc/58/80/52/331588052.db2.gz JZHGNAZJHVJQQF-UHFFFAOYSA-N 0 1 279.305 3.956 20 0 CHADMN CCc1cccc(F)c1CNCc1cccc(F)c1 ZINC000474475066 331588928 /nfs/dbraw/zinc/58/89/28/331588928.db2.gz UCKDDINWUHWPMR-UHFFFAOYSA-N 0 1 261.315 3.817 20 0 CHADMN Cc1noc([C@H](C)N[C@H](C)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000475195222 331617468 /nfs/dbraw/zinc/61/74/68/331617468.db2.gz HPULWKLOQBFFBS-AXFHLTTASA-N 0 1 293.798 3.874 20 0 CHADMN CCCOc1ccc(C(C)(C)NCc2cnc(C)cn2)cc1 ZINC000475677595 331641981 /nfs/dbraw/zinc/64/19/81/331641981.db2.gz YPHMONJJQNSQES-UHFFFAOYSA-N 0 1 299.418 3.599 20 0 CHADMN Fc1cc(F)c(CN[C@@H]2CC[C@H]2C2CCC2)c(F)c1F ZINC000510965152 332922235 /nfs/dbraw/zinc/92/22/35/332922235.db2.gz YWZVUAOBURCDCU-TVQRCGJNSA-N 0 1 287.300 3.911 20 0 CHADMN CC(C)=CCCN[C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000479287582 331723605 /nfs/dbraw/zinc/72/36/05/331723605.db2.gz SSDXHNRCBLYGRE-KRWDZBQOSA-N 0 1 287.382 3.595 20 0 CHADMN CC(C)CC[C@@H](O)CN[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000482814921 331847232 /nfs/dbraw/zinc/84/72/32/331847232.db2.gz LYXCTAOTBYIJRG-QWHCGFSZSA-N 0 1 298.496 3.888 20 0 CHADMN CO[C@@H]1CCCC[C@@H]1NCc1csc(CCC(C)C)n1 ZINC000483722563 331883280 /nfs/dbraw/zinc/88/32/80/331883280.db2.gz HVGATYJHEIWDQY-LSDHHAIUSA-N 0 1 296.480 3.779 20 0 CHADMN Cc1csc(C2(NC/C=C/c3ccncc3)CCC2)n1 ZINC000486969363 331953218 /nfs/dbraw/zinc/95/32/18/331953218.db2.gz QDVXRWCMQAQXGP-DUXPYHPUSA-N 0 1 285.416 3.529 20 0 CHADMN CCOc1c(Cl)cccc1CNCCC(F)(F)F ZINC000487283654 331962995 /nfs/dbraw/zinc/96/29/95/331962995.db2.gz YYAOONUUMNNHSJ-UHFFFAOYSA-N 0 1 281.705 3.781 20 0 CHADMN C[C@H](Cc1ccncc1)Nc1ccnc2cc(F)ccc21 ZINC000487672227 331978657 /nfs/dbraw/zinc/97/86/57/331978657.db2.gz GVBBKMDRPKEAAY-GFCCVEGCSA-N 0 1 281.334 3.812 20 0 CHADMN CC(C)[C@H]1C[C@@H](NCc2nc(C3CC3)cs2)CS1 ZINC000488414486 332005434 /nfs/dbraw/zinc/00/54/34/332005434.db2.gz GRIXNSHOKGDBAE-DGCLKSJQSA-N 0 1 282.478 3.640 20 0 CHADMN CCCN(CC)[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000488795814 332025964 /nfs/dbraw/zinc/02/59/64/332025964.db2.gz NIXQBHLLQKUWBH-GFCCVEGCSA-N 0 1 291.370 3.977 20 0 CHADMN CCC[C@H](C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1)C(C)C ZINC000489192291 332043245 /nfs/dbraw/zinc/04/32/45/332043245.db2.gz OMEVHVNXTKFWIY-XQQFMLRXSA-N 0 1 294.443 3.568 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(C)(C)CC(C)C)n[nH]1 ZINC000489218377 332043606 /nfs/dbraw/zinc/04/36/06/332043606.db2.gz OBGBWBZNZICRRF-NEPJUHHUSA-N 0 1 294.443 3.568 20 0 CHADMN Cc1ccc(-c2cc(CN(C)[C@H]3CC3(C)C)on2)cc1 ZINC000489472052 332054474 /nfs/dbraw/zinc/05/44/74/332054474.db2.gz BTDSUENWWVBBKG-INIZCTEOSA-N 0 1 270.376 3.880 20 0 CHADMN Cc1nc2ccc(NC(=O)C[C@@H]3C=CCCC3)cc2[nH]1 ZINC000489958711 332074432 /nfs/dbraw/zinc/07/44/32/332074432.db2.gz XLXCTINLOSZKTM-GFCCVEGCSA-N 0 1 269.348 3.556 20 0 CHADMN COc1cccc([C@@H](C)N2CCc3ccc(O)cc3C2)c1 ZINC000490156496 332083007 /nfs/dbraw/zinc/08/30/07/332083007.db2.gz CZZILZSOZREGOR-CYBMUJFWSA-N 0 1 283.371 3.520 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2ccoc2C)cc1 ZINC000490452765 332089774 /nfs/dbraw/zinc/08/97/74/332089774.db2.gz RHTSDNVWHMZWBY-LBPRGKRZSA-N 0 1 259.349 3.790 20 0 CHADMN c1sc(Nc2ccccc2)nc1CN1CC[C@H](C2CC2)C1 ZINC000491163550 332158858 /nfs/dbraw/zinc/15/88/58/332158858.db2.gz WDHOCYXFSAGAPN-AWEZNQCLSA-N 0 1 299.443 3.541 20 0 CHADMN CCC[C@@H](C(=O)Nc1ccc2nc[nH]c2c1)C(C)C ZINC000491761785 332332114 /nfs/dbraw/zinc/33/21/14/332332114.db2.gz ZLZIAYAFSXWOSZ-GFCCVEGCSA-N 0 1 259.353 3.574 20 0 CHADMN COC[C@@H](N[C@@H](C)CC(F)(F)F)c1ccc(Cl)cc1 ZINC000494500693 332476190 /nfs/dbraw/zinc/47/61/90/332476190.db2.gz FMQYYVXMSUTCIK-JOYOIKCWSA-N 0 1 295.732 3.958 20 0 CHADMN CSc1cc(C)ccc1CNCc1cncc(F)c1 ZINC000494585385 332478793 /nfs/dbraw/zinc/47/87/93/332478793.db2.gz YAPFEUCXADUDGD-UHFFFAOYSA-N 0 1 276.380 3.541 20 0 CHADMN O=C(Nc1ccccc1-c1cccs1)c1ncccc1O ZINC000494910915 332490709 /nfs/dbraw/zinc/49/07/09/332490709.db2.gz PNNURIDNGLKYHH-UHFFFAOYSA-N 0 1 296.351 3.768 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H](c2nccs2)c2ccccc2)[C@@H]1C ZINC000494921229 332491557 /nfs/dbraw/zinc/49/15/57/332491557.db2.gz UZBPZEGAPJZDNT-RJZRQDKASA-N 0 1 272.417 3.867 20 0 CHADMN COc1ccccc1[C@H](N[C@@H]1C[C@@H](C)[C@H]1C)c1ccccn1 ZINC000495057024 332501914 /nfs/dbraw/zinc/50/19/14/332501914.db2.gz FCYZPMUAIUNNFQ-PHNROFDPSA-N 0 1 296.414 3.814 20 0 CHADMN Cc1cnc([C@H](C)N[C@H]2CC[C@H](c3ccccc3)C2)o1 ZINC000500399257 332606730 /nfs/dbraw/zinc/60/67/30/332606730.db2.gz SKKOADCVZIOIBM-BPUTZDHNSA-N 0 1 270.376 3.970 20 0 CHADMN COC[C@@H](NC/C(C)=C\c1ccccc1)c1ccco1 ZINC000501456469 332633687 /nfs/dbraw/zinc/63/36/87/332633687.db2.gz ZIDVTHVWKBNQPQ-SYCZXOQXSA-N 0 1 271.360 3.660 20 0 CHADMN Cc1nc2c(n1CCCCOC(C)(C)C)CCCC2 ZINC000575762987 335113437 /nfs/dbraw/zinc/11/34/37/335113437.db2.gz MEJRFRYPUMJXTA-UHFFFAOYSA-N 0 1 264.413 3.666 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](c2ccc(C)cc2)C2CC2)nn1C ZINC000502394395 332656198 /nfs/dbraw/zinc/65/61/98/332656198.db2.gz UPZKEOQTPQEVGA-RDTXWAMCSA-N 0 1 283.419 3.839 20 0 CHADMN Cc1nc(CN[C@@H](c2ccccc2)C2CCC2)[nH]c1C ZINC000566496133 334652652 /nfs/dbraw/zinc/65/26/52/334652652.db2.gz BLJGSMLXFDDNHB-KRWDZBQOSA-N 0 1 269.392 3.658 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](c2ccc(F)cc2)C(C)C)nn1C ZINC000502684759 332668345 /nfs/dbraw/zinc/66/83/45/332668345.db2.gz NKNKPTZAFUZXIX-DYVFJYSZSA-N 0 1 289.398 3.916 20 0 CHADMN FCC1(NCc2ccc(C(F)(F)F)cc2)CCC1 ZINC000568983383 334849595 /nfs/dbraw/zinc/84/95/95/334849595.db2.gz HNVONUMAJPIOSP-UHFFFAOYSA-N 0 1 261.262 3.687 20 0 CHADMN CCCOc1ncccc1CN[C@@H](C)c1cccc(F)c1 ZINC000174004654 332988593 /nfs/dbraw/zinc/98/85/93/332988593.db2.gz GVJFNKKNZYWENH-ZDUSSCGKSA-N 0 1 288.366 3.860 20 0 CHADMN C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@H]([C@H](C)O)C1 ZINC000305875685 333001751 /nfs/dbraw/zinc/00/17/51/333001751.db2.gz QJTLPJDRJSLZKU-JFGNBEQYSA-N 0 1 288.218 3.757 20 0 CHADMN C[C@@H]1CC[C@H]([N@H+](C)Cc2cccc([O-])c2Cl)C1 ZINC000513241174 333010523 /nfs/dbraw/zinc/01/05/23/333010523.db2.gz GOEAWTCYIKLWOC-PWSUYJOCSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc([O-])c2Cl)C1 ZINC000513241174 333010525 /nfs/dbraw/zinc/01/05/25/333010525.db2.gz GOEAWTCYIKLWOC-PWSUYJOCSA-N 0 1 253.773 3.666 20 0 CHADMN CC1(C)CCC[N@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000175172185 333016122 /nfs/dbraw/zinc/01/61/22/333016122.db2.gz WYRMFMWNSKJEIV-UHFFFAOYSA-N 0 1 274.339 3.855 20 0 CHADMN CCCN(Cc1cc(F)ccc1F)C[C@@H]1CCCCO1 ZINC000513450305 333020181 /nfs/dbraw/zinc/02/01/81/333020181.db2.gz IYNAKARQWZGJPH-HNNXBMFYSA-N 0 1 283.362 3.746 20 0 CHADMN CCCCCN(C(=O)c1cc(CC)[nH]n1)[C@@H](C)CCC ZINC000513453014 333020526 /nfs/dbraw/zinc/02/05/26/333020526.db2.gz YDVNLAUUDBZZRS-ZDUSSCGKSA-N 0 1 279.428 3.793 20 0 CHADMN COc1cccc([C@H](C)N(C)Cc2ccc(C)o2)c1 ZINC000175525256 333026222 /nfs/dbraw/zinc/02/62/22/333026222.db2.gz JUVQSTNEXUOUMZ-ZDUSSCGKSA-N 0 1 259.349 3.790 20 0 CHADMN Cc1ccnc([C@H](C)N[C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000513660876 333030012 /nfs/dbraw/zinc/03/00/12/333030012.db2.gz LBDOSJQHMHITDP-STQMWFEESA-N 0 1 284.359 3.531 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2CCC[C@H]2C2CC2)no1 ZINC000575805049 335117083 /nfs/dbraw/zinc/11/70/83/335117083.db2.gz FLQXDOJCEGFIES-JKSUJKDBSA-N 0 1 297.402 3.713 20 0 CHADMN C[C@@H](CF)NCc1ccc(Br)c(Cl)c1 ZINC000308586732 333035839 /nfs/dbraw/zinc/03/58/39/333035839.db2.gz SERNURNOJURHIK-ZETCQYMHSA-N 0 1 280.568 3.550 20 0 CHADMN CCc1ccc(-c2ccc(CN(C)[C@@H]3CCOC3)o2)cc1 ZINC000513741116 333036986 /nfs/dbraw/zinc/03/69/86/333036986.db2.gz GANVGKIUMUXSBV-MRXNPFEDSA-N 0 1 285.387 3.730 20 0 CHADMN COc1cccc([C@@H](C)N(C)Cc2ccoc2C)c1 ZINC000176890581 333049803 /nfs/dbraw/zinc/04/98/03/333049803.db2.gz GGRHCWPOBZGKJS-GFCCVEGCSA-N 0 1 259.349 3.790 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCC2(CCC2)C1 ZINC000176938268 333050610 /nfs/dbraw/zinc/05/06/10/333050610.db2.gz SEQLNAZVLVDBGN-UHFFFAOYSA-N 0 1 287.403 3.664 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1C[C@@H](OC)c1ccc(Cl)cc1 ZINC000513970954 333056607 /nfs/dbraw/zinc/05/66/07/333056607.db2.gz APJGTKFNIBGEFW-DAXOMENPSA-N 0 1 297.826 3.527 20 0 CHADMN Cc1ccc(-c2noc([C@@H](C)N3CC[C@@H](C)C3)n2)cc1F ZINC000514006561 333059343 /nfs/dbraw/zinc/05/93/43/333059343.db2.gz MKESSBMRAPLFLV-ZYHUDNBSSA-N 0 1 289.354 3.587 20 0 CHADMN CCC(CC)N(Cc1noc(C(C)C)n1)CC(C)C ZINC000177866379 333064534 /nfs/dbraw/zinc/06/45/34/333064534.db2.gz GFOMYLSLMDHIKN-UHFFFAOYSA-N 0 1 267.417 3.840 20 0 CHADMN Cc1ccccc1-c1nc(CN(CC(C)C)C(C)C)no1 ZINC000178058446 333067406 /nfs/dbraw/zinc/06/74/06/333067406.db2.gz KQDOHWIQFDRNHS-UHFFFAOYSA-N 0 1 287.407 3.911 20 0 CHADMN C[C@H](c1ccccc1F)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178523419 333074772 /nfs/dbraw/zinc/07/47/72/333074772.db2.gz JNICXGLDUHSFCY-OLZOCXBDSA-N 0 1 293.382 3.550 20 0 CHADMN CC(C)CC(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000178634189 333076105 /nfs/dbraw/zinc/07/61/05/333076105.db2.gz NPWHBRWJNFWVQN-UHFFFAOYSA-N 0 1 285.269 3.566 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000516872835 333084859 /nfs/dbraw/zinc/08/48/59/333084859.db2.gz QSNJBRAPTKFPAV-ZYHUDNBSSA-N 0 1 291.372 3.937 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc3c2OCO3)cc1F ZINC000088255018 333087593 /nfs/dbraw/zinc/08/75/93/333087593.db2.gz HBZRPYRINAEISK-GFCCVEGCSA-N 0 1 287.334 3.714 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccc(CC)cc2)C1 ZINC000520841606 333097747 /nfs/dbraw/zinc/09/77/47/333097747.db2.gz XMURZJGQVRLWEX-IRXDYDNUSA-N 0 1 289.419 3.682 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H](C)[C@H]2CC2(C)C)no1 ZINC000517655455 333105276 /nfs/dbraw/zinc/10/52/76/333105276.db2.gz QTFOCQRYTMVYGM-TZMCWYRMSA-N 0 1 285.391 3.569 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNCC2=Cc3ccccc3OC2)o1 ZINC000520955732 333108397 /nfs/dbraw/zinc/10/83/97/333108397.db2.gz NBLMUYWBEIVXEW-SUMWQHHRSA-N 0 1 295.382 3.969 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2c1cnn2C)c1ccccc1OC ZINC000336850311 335121303 /nfs/dbraw/zinc/12/13/03/335121303.db2.gz RCWJTDSVIXMGTM-HZPDHXFCSA-N 0 1 299.418 3.547 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)[C@@H]1c1cccc(F)c1 ZINC000182820684 333117590 /nfs/dbraw/zinc/11/75/90/333117590.db2.gz DORKNTHSCGFNSF-LIRRHRJNSA-N 0 1 299.389 3.901 20 0 CHADMN OCC[C@@H](NC/C=C/c1ccc(Cl)cc1)c1ccco1 ZINC000184511498 333129385 /nfs/dbraw/zinc/12/93/85/333129385.db2.gz JWDATJTUKKFRTQ-BQTXGFLSSA-N 0 1 291.778 3.660 20 0 CHADMN CC/C=C/CCN[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185445596 333140895 /nfs/dbraw/zinc/14/08/95/333140895.db2.gz IGPXIRCPTXXQRP-ZYOFXKKJSA-N 0 1 289.354 3.883 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H](c1ccccc1)C(C)C ZINC000219086443 333141389 /nfs/dbraw/zinc/14/13/89/333141389.db2.gz SXVUZCBWMIDDLW-HOCLYGCPSA-N 0 1 269.392 3.833 20 0 CHADMN c1ccc(-c2cnc(CNC3CCCCCC3)nc2)cc1 ZINC000185872201 333150726 /nfs/dbraw/zinc/15/07/26/333150726.db2.gz CIMGXECCWCJXQR-UHFFFAOYSA-N 0 1 281.403 3.956 20 0 CHADMN CC(C)c1nc([C@H](C)NCCCOCC2CC2)cs1 ZINC000186215686 333156763 /nfs/dbraw/zinc/15/67/63/333156763.db2.gz MDBQIYYGEXFAHA-LBPRGKRZSA-N 0 1 282.453 3.734 20 0 CHADMN Clc1ccccc1CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000186435686 333160965 /nfs/dbraw/zinc/16/09/65/333160965.db2.gz VSSMIQBLSILDAL-SFHVURJKSA-N 0 1 299.801 3.971 20 0 CHADMN C[N@H+]1CC[C@@H](CSc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000187676456 333173597 /nfs/dbraw/zinc/17/35/97/333173597.db2.gz HSTKEDCWTJIAMG-LLVKDONJSA-N 0 1 292.379 3.525 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCCCCC3)n[nH]2)c(C)c1 ZINC000188923269 333176395 /nfs/dbraw/zinc/17/63/95/333176395.db2.gz KMZKUSBQUAOHNW-UHFFFAOYSA-N 0 1 297.402 3.710 20 0 CHADMN Cc1cccc([C@H](C)NCc2cc(O)cc(F)c2)c1 ZINC000223142112 333204888 /nfs/dbraw/zinc/20/48/88/333204888.db2.gz AKBFFDRVFPKIHZ-LBPRGKRZSA-N 0 1 259.324 3.691 20 0 CHADMN CC(C)(C)n1cc(C[N@@H+](CC2CCCCC2)C2CC2)nn1 ZINC000191262137 333217378 /nfs/dbraw/zinc/21/73/78/333217378.db2.gz YASNHAPUWYHNTJ-UHFFFAOYSA-N 0 1 290.455 3.578 20 0 CHADMN CC(C)(C)n1cc(CN(CC2CCCCC2)C2CC2)nn1 ZINC000191262137 333217380 /nfs/dbraw/zinc/21/73/80/333217380.db2.gz YASNHAPUWYHNTJ-UHFFFAOYSA-N 0 1 290.455 3.578 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1csc(Cl)c1 ZINC000191334159 333218419 /nfs/dbraw/zinc/21/84/19/333218419.db2.gz ZENZNAMZTSIPLD-SCVCMEIPSA-N 0 1 284.856 3.677 20 0 CHADMN CCCC[C@@H](CC)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000191570755 333221505 /nfs/dbraw/zinc/22/15/05/333221505.db2.gz HZBUKAJMZGZARR-VXGBXAGGSA-N 0 1 267.417 3.987 20 0 CHADMN C[C@@H](CC1CC1)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000191578160 333221843 /nfs/dbraw/zinc/22/18/43/333221843.db2.gz YMYLSKQJRVKAQS-RYUDHWBXSA-N 0 1 277.412 3.957 20 0 CHADMN CC(C)=CCNCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000191630161 333222604 /nfs/dbraw/zinc/22/26/04/333222604.db2.gz JANNKQYHTHUMFZ-UHFFFAOYSA-N 0 1 297.324 3.648 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2nc(C(C)(C)C)cs2)C1(C)C ZINC000224629220 333223886 /nfs/dbraw/zinc/22/38/86/333223886.db2.gz XSJYEDPSFKYRIS-YPMHNXCESA-N 0 1 296.480 3.734 20 0 CHADMN CC[C@@H]1CCCN1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000522083870 333239291 /nfs/dbraw/zinc/23/92/91/333239291.db2.gz YQBICJNNAAFTJD-CYBMUJFWSA-N 0 1 291.782 3.764 20 0 CHADMN C[N@H+](Cc1csc(Nc2ccccc2)n1)CC1CCC1 ZINC000522097583 333240059 /nfs/dbraw/zinc/24/00/59/333240059.db2.gz KWRMYLLRCFQGSO-UHFFFAOYSA-N 0 1 287.432 3.541 20 0 CHADMN CN(Cc1csc(Nc2ccccc2)n1)CC1CCC1 ZINC000522097583 333240060 /nfs/dbraw/zinc/24/00/60/333240060.db2.gz KWRMYLLRCFQGSO-UHFFFAOYSA-N 0 1 287.432 3.541 20 0 CHADMN CCOc1ccc(CN[C@@H]2c3ccccc3O[C@H]2C)cc1 ZINC000575900967 335129293 /nfs/dbraw/zinc/12/92/93/335129293.db2.gz VVAGSUVCTJINNN-UGSOOPFHSA-N 0 1 283.371 3.697 20 0 CHADMN c1cc2c(s1)CCC[C@@H]2N[C@H]1COCc2ccccc21 ZINC000225998548 333244895 /nfs/dbraw/zinc/24/48/95/333244895.db2.gz OCCATRBUSGTUEL-HOTGVXAUSA-N 0 1 285.412 3.987 20 0 CHADMN COc1ccc2nc(SCc3cnc(C)s3)[nH]c2c1 ZINC000193858854 333259519 /nfs/dbraw/zinc/25/95/19/333259519.db2.gz WECSKOYKXYPVJL-UHFFFAOYSA-N 0 1 291.401 3.629 20 0 CHADMN CCOCCN(CC)[C@H](C)c1ccccc1Cl ZINC000195736710 333262938 /nfs/dbraw/zinc/26/29/38/333262938.db2.gz SPRNTECMEDBXAW-GFCCVEGCSA-N 0 1 255.789 3.759 20 0 CHADMN CCN(Cc1ccco1)[C@@H](C)c1cccc(OC)c1 ZINC000194986539 333281037 /nfs/dbraw/zinc/28/10/37/333281037.db2.gz IXPSVBCBGVWFKY-ZDUSSCGKSA-N 0 1 259.349 3.871 20 0 CHADMN CC[C@@H](NC(=O)c1[nH]nc(C)c1C)c1ccc(Cl)s1 ZINC000522353543 333284021 /nfs/dbraw/zinc/28/40/21/333284021.db2.gz CUUVPHXYZRNRDF-SECBINFHSA-N 0 1 297.811 3.623 20 0 CHADMN Cc1c2ccccc2n(C)c1CN[C@H](C)c1ccco1 ZINC000227520105 333284579 /nfs/dbraw/zinc/28/45/79/333284579.db2.gz YSMBYNSUCFUQGD-CYBMUJFWSA-N 0 1 268.360 3.931 20 0 CHADMN CC[N@@H+](CCNCc1ccc(Cl)cc1Cl)C1CC1 ZINC000227551347 333285559 /nfs/dbraw/zinc/28/55/59/333285559.db2.gz OPJSJVDDVBKQOX-UHFFFAOYSA-N 0 1 287.234 3.567 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227818312 333288935 /nfs/dbraw/zinc/28/89/35/333288935.db2.gz CROOVQRJNPOIRK-PBFPGSCMSA-N 0 1 283.371 3.553 20 0 CHADMN CCC(CC)(OC)c1noc(-c2ccc(Cl)cc2O)n1 ZINC000227833664 333289054 /nfs/dbraw/zinc/28/90/54/333289054.db2.gz ZNNHFUDIGZFJNY-UHFFFAOYSA-N 0 1 296.754 3.757 20 0 CHADMN CCCCCN(C(=O)c1c(O)cccc1F)C(C)C ZINC000228837444 333297946 /nfs/dbraw/zinc/29/79/46/333297946.db2.gz XSOYCLJPEAXRLI-UHFFFAOYSA-N 0 1 267.344 3.572 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2ccc(OC(F)F)cc2)C[C@@H](C)O1 ZINC000523017120 333304660 /nfs/dbraw/zinc/30/46/60/333304660.db2.gz XXKVCULSIZGHSV-MBNYWOFBSA-N 0 1 299.361 3.848 20 0 CHADMN CCc1ccc(NC(=O)c2cc(C)cc3cn[nH]c32)cc1 ZINC000523287343 333314667 /nfs/dbraw/zinc/31/46/67/333314667.db2.gz ZJSWZPKFRXQKFN-UHFFFAOYSA-N 0 1 279.343 3.686 20 0 CHADMN C[C@]1(O)CCCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000230377191 333316689 /nfs/dbraw/zinc/31/66/89/333316689.db2.gz AOYHSLYXBIVQOY-AWEZNQCLSA-N 0 1 288.218 3.730 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c1cnn2C)c1csc(Cl)c1 ZINC000230407958 333317860 /nfs/dbraw/zinc/31/78/60/333317860.db2.gz AGJMJUTYZXMSCE-SKDRFNHKSA-N 0 1 295.839 3.863 20 0 CHADMN CCC[C@@H]1C[C@H]1NCc1c(Cl)cccc1OC ZINC000231675329 333327687 /nfs/dbraw/zinc/32/76/87/333327687.db2.gz INTCCJHRDFDKBB-ZWNOBZJWSA-N 0 1 253.773 3.627 20 0 CHADMN CSCc1cccc(Nc2nc3cc(F)ccc3o2)c1 ZINC000523695238 333339290 /nfs/dbraw/zinc/33/92/90/333339290.db2.gz QHOZKGNUAKIGAN-UHFFFAOYSA-N 0 1 288.347 3.995 20 0 CHADMN CC[C@H]1CN(CCCOc2cccc(Cl)c2)C[C@H](C)O1 ZINC000303424729 333342019 /nfs/dbraw/zinc/34/20/19/333342019.db2.gz AJXPYCPTBGANPC-ZFWWWQNUSA-N 0 1 297.826 3.608 20 0 CHADMN CC[C@@H]1COCCN1CCCSc1ccccc1Cl ZINC000523760131 333344439 /nfs/dbraw/zinc/34/44/39/333344439.db2.gz DBTQPTJMMWTUDF-CYBMUJFWSA-N 0 1 299.867 3.933 20 0 CHADMN Cc1cccc(NC(=O)CN2CCC[C@]3(CC=CCC3)C2)c1 ZINC000303617471 333344588 /nfs/dbraw/zinc/34/45/88/333344588.db2.gz WLLGJHDALVGSFU-LJQANCHMSA-N 0 1 298.430 3.756 20 0 CHADMN COc1ccc(OC)c(CNC(C)(C)c2cccs2)c1 ZINC000523936250 333349568 /nfs/dbraw/zinc/34/95/68/333349568.db2.gz YFMDUCNXGOYKNY-UHFFFAOYSA-N 0 1 291.416 3.790 20 0 CHADMN CCC[C@H](C(=O)OCC)N1CC[C@H](c2ccccc2C)C1 ZINC000524485779 333363121 /nfs/dbraw/zinc/36/31/21/333363121.db2.gz JQUFTMIVSBEJHS-DOTOQJQBSA-N 0 1 289.419 3.516 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1csc(C(C)(C)C)n1 ZINC000524620987 333369259 /nfs/dbraw/zinc/36/92/59/333369259.db2.gz PUMGMZGWJZVKLO-WDEREUQCSA-N 0 1 252.427 3.671 20 0 CHADMN COC(=O)c1cc(CN[C@H]2CCCc3ccccc32)oc1C ZINC000237085596 333377632 /nfs/dbraw/zinc/37/76/32/333377632.db2.gz GXDBCXCHMNPTOC-KRWDZBQOSA-N 0 1 299.370 3.542 20 0 CHADMN CC(C)[C@H](C)N(C)Cc1cccc(O)c1Br ZINC000315697256 333383340 /nfs/dbraw/zinc/38/33/40/333383340.db2.gz SCANYBQLLPZJKP-JTQLQIEISA-N 0 1 286.213 3.631 20 0 CHADMN COc1cccc([C@H](C)[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000315984403 333384944 /nfs/dbraw/zinc/38/49/44/333384944.db2.gz VTRXOGSBQXNANE-ZDUSSCGKSA-N 0 1 299.370 3.586 20 0 CHADMN C[C@@H]1CCCC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000575995396 335139816 /nfs/dbraw/zinc/13/98/16/335139816.db2.gz MSOUNYIRNXDUGD-RISCZKNCSA-N 0 1 281.783 3.588 20 0 CHADMN COc1ccc2cc([C@H](C)NCc3cnc(C)o3)ccc2c1 ZINC000398017469 333431580 /nfs/dbraw/zinc/43/15/80/333431580.db2.gz RTOUWBCUZOERDB-LBPRGKRZSA-N 0 1 296.370 3.996 20 0 CHADMN Cc1ncc(CN[C@H](c2ccc(C)cc2)C2CC2)o1 ZINC000398051918 333431775 /nfs/dbraw/zinc/43/17/75/333431775.db2.gz FYZPTVJUJSTWJN-MRXNPFEDSA-N 0 1 256.349 3.532 20 0 CHADMN COc1ccc(F)cc1[C@H](C)NC/C=C(\C)Cl ZINC000528432365 333437198 /nfs/dbraw/zinc/43/71/98/333437198.db2.gz IAXKHEFRIQRKOR-ZKXNXJMVSA-N 0 1 257.736 3.628 20 0 CHADMN CC(C)CCc1nc(CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cs1 ZINC000528756047 333455772 /nfs/dbraw/zinc/45/57/72/333455772.db2.gz MNVUNLPCBHZFDQ-DVZHBHJUSA-N 0 1 296.480 3.633 20 0 CHADMN CC[C@@H](N[C@H](C)c1nc(C)cc(=O)[nH]1)c1cc(C)ccc1C ZINC000528796312 333458388 /nfs/dbraw/zinc/45/83/88/333458388.db2.gz CKAGTQDIKOOINR-GDBMZVCRSA-N 0 1 299.418 3.909 20 0 CHADMN C[C@H](NCCOc1ccc(Cl)cc1)c1ncccc1F ZINC000528823274 333460281 /nfs/dbraw/zinc/46/02/81/333460281.db2.gz FDBUROMZWOFSED-NSHDSACASA-N 0 1 294.757 3.604 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@@H]1CCCC12CC2 ZINC000528909965 333463991 /nfs/dbraw/zinc/46/39/91/333463991.db2.gz ZEHYYJCOASTALZ-VIFPVBQESA-N 0 1 265.740 3.564 20 0 CHADMN Cc1sccc1CNCc1cnn(Cc2ccccc2)c1 ZINC000339182342 335142243 /nfs/dbraw/zinc/14/22/43/335142243.db2.gz UCHAZSXKCFRESI-UHFFFAOYSA-N 0 1 297.427 3.591 20 0 CHADMN CO[C@H](COc1cc(C)nc(C)c1)c1ccc(F)cc1 ZINC000530161858 333526028 /nfs/dbraw/zinc/52/60/28/333526028.db2.gz SEVOZSZJOBODHR-MRXNPFEDSA-N 0 1 275.323 3.604 20 0 CHADMN COc1ccccc1[C@H](CO)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000537981649 333553576 /nfs/dbraw/zinc/55/35/76/333553576.db2.gz UNHNWAHVLUBORI-YJBOKZPZSA-N 0 1 299.414 3.696 20 0 CHADMN CC[C@H](C)[C@H](C)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000124266828 333557565 /nfs/dbraw/zinc/55/75/65/333557565.db2.gz RYYWSLVKTAJGDA-AVGNSLFASA-N 0 1 273.380 3.822 20 0 CHADMN C[C@@H](N[C@H](C)C1CCCCC1)c1nc(C2CC2)no1 ZINC000174139998 335148735 /nfs/dbraw/zinc/14/87/35/335148735.db2.gz BFKCBMLKTDLMJD-GHMZBOCLSA-N 0 1 263.385 3.566 20 0 CHADMN FCCNC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000538256135 333581308 /nfs/dbraw/zinc/58/13/08/333581308.db2.gz CZPAGMGCNAUYQP-UHFFFAOYSA-N 0 1 261.262 3.644 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN2CCC(C(F)F)CC2)o1 ZINC000538735483 333620795 /nfs/dbraw/zinc/62/07/95/333620795.db2.gz BJOQXAKKJVLTFS-GXFFZTMASA-N 0 1 269.335 3.880 20 0 CHADMN CC(C)(C)CCCN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000127960845 333638704 /nfs/dbraw/zinc/63/87/04/333638704.db2.gz PIHCJGPAXFADQW-HNNXBMFYSA-N 0 1 271.408 3.915 20 0 CHADMN COc1ccc(CNCc2ccc(-c3ccccc3)o2)cn1 ZINC000128155305 333643248 /nfs/dbraw/zinc/64/32/48/333643248.db2.gz LHQWWZNYUSGPSQ-UHFFFAOYSA-N 0 1 294.354 3.640 20 0 CHADMN C[C@H](N[C@@H](CO)c1cccc(F)c1)c1ccc2c(c1)CCC2 ZINC000539085223 333656571 /nfs/dbraw/zinc/65/65/71/333656571.db2.gz VVGBKCDLKYCVOV-DJJJIMSYSA-N 0 1 299.389 3.699 20 0 CHADMN COc1ccccc1[C@@H](CO)N[C@H](C)c1ccc(C)c(C)c1 ZINC000540183026 333718695 /nfs/dbraw/zinc/71/86/95/333718695.db2.gz OPUZXZQAVXCTMO-CRAIPNDOSA-N 0 1 299.414 3.696 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](CO)c2cccc(F)c2)cc1 ZINC000540186594 333719190 /nfs/dbraw/zinc/71/91/90/333719190.db2.gz ZUKKTNVQJQWZOK-ACJLOTCBSA-N 0 1 287.378 3.772 20 0 CHADMN Fc1ccc(-c2nc(CNC3(C4CC4)CC3)co2)cc1F ZINC000541597188 333783505 /nfs/dbraw/zinc/78/35/05/333783505.db2.gz VBXIJIYOAGUSHT-UHFFFAOYSA-N 0 1 290.313 3.652 20 0 CHADMN Cc1oncc1CN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000129701237 333790122 /nfs/dbraw/zinc/79/01/22/333790122.db2.gz OYKMEWJTZBUBBO-LBPRGKRZSA-N 0 1 270.376 3.713 20 0 CHADMN CCOc1cc(CNCc2ccoc2)ccc1OC(F)F ZINC000069833060 333793548 /nfs/dbraw/zinc/79/35/48/333793548.db2.gz RAQVXOANCORLIN-UHFFFAOYSA-N 0 1 297.301 3.570 20 0 CHADMN C[C@@H]1CCN(C(=O)c2c(O)cccc2F)[C@H]2CCCC[C@H]12 ZINC000541861823 333795191 /nfs/dbraw/zinc/79/51/91/333795191.db2.gz VTRHMWDAIWHHRL-BZPMIXESSA-N 0 1 291.366 3.572 20 0 CHADMN Fc1ccc([C@H](NC[C@H]2CC=CCC2)c2cnccn2)cc1 ZINC000542477021 333826673 /nfs/dbraw/zinc/82/66/73/333826673.db2.gz BBHXXGCFQDTWNN-KSSFIOAISA-N 0 1 297.377 3.651 20 0 CHADMN Fc1ccc([C@H](NC[C@@H]2CC=CCC2)c2cnccn2)cc1 ZINC000542477020 333826774 /nfs/dbraw/zinc/82/67/74/333826774.db2.gz BBHXXGCFQDTWNN-KDOFPFPSSA-N 0 1 297.377 3.651 20 0 CHADMN CC1CC(N[C@H](c2ccn(C)n2)c2ccc(Cl)cc2)C1 ZINC000543601044 333883380 /nfs/dbraw/zinc/88/33/80/333883380.db2.gz DMXQGUPPIZWWKO-INORYPFCSA-N 0 1 289.810 3.551 20 0 CHADMN C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@@H](C)c1ccon1 ZINC000544602694 333939457 /nfs/dbraw/zinc/93/94/57/333939457.db2.gz AUYBQKHNODZKPM-MNOVXSKESA-N 0 1 298.308 3.975 20 0 CHADMN Cc1ccc(C)c([C@H](C)N[C@H](c2nccn2C)C2CC2)c1 ZINC000353855483 533713842 /nfs/dbraw/zinc/71/38/42/533713842.db2.gz NHTKWLAARKVZCX-YOEHRIQHSA-N 0 1 283.419 3.839 20 0 CHADMN Cc1nc2cc(N[C@H](C)CCC3CC3)ccc2n1C ZINC000545302851 333976720 /nfs/dbraw/zinc/97/67/20/333976720.db2.gz SSRBRJRCIQBZNZ-LLVKDONJSA-N 0 1 257.381 3.872 20 0 CHADMN Cc1nnc(CN[C@H]2C[C@@H](c3ccccc3)C2(C)C)s1 ZINC000545920228 334006050 /nfs/dbraw/zinc/00/60/50/334006050.db2.gz GBQFBZSWIOICHU-KBPBESRZSA-N 0 1 287.432 3.518 20 0 CHADMN C[C@@H](NCc1cnc(C2CCC2)s1)c1cccc(O)c1 ZINC000132838496 334007474 /nfs/dbraw/zinc/00/74/74/334007474.db2.gz ORSZSKQORSLEFH-LLVKDONJSA-N 0 1 288.416 3.967 20 0 CHADMN C[C@H](c1cnccn1)N1CCC(c2ccccc2F)CC1 ZINC000545937954 334007666 /nfs/dbraw/zinc/00/76/66/334007666.db2.gz ZBFKTTRAPWJWRK-CYBMUJFWSA-N 0 1 285.366 3.556 20 0 CHADMN CC[C@@H](NC(=O)C=CC(C)(C)C)c1nc2ccccc2[nH]1 ZINC000074563476 334009139 /nfs/dbraw/zinc/00/91/39/334009139.db2.gz ZYSRDUKEJYVHSO-HCRIHEDKSA-N 0 1 285.391 3.733 20 0 CHADMN Cc1ccc2nc(CN3CC[C@H](C)C(C)(C)C3)cn2c1 ZINC000546124688 334015984 /nfs/dbraw/zinc/01/59/84/334015984.db2.gz UACOLRYTODLDAQ-AWEZNQCLSA-N 0 1 271.408 3.511 20 0 CHADMN CCC[C@H](C)c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000546434845 334032497 /nfs/dbraw/zinc/03/24/97/334032497.db2.gz KEKQNISYXHAGGD-VIFPVBQESA-N 0 1 270.336 3.825 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2COc3ccc(F)cc32)s1 ZINC000546649206 334043518 /nfs/dbraw/zinc/04/35/18/334043518.db2.gz NYURJRYVCCRAAX-GXFFZTMASA-N 0 1 277.364 3.980 20 0 CHADMN CC(C)(C)c1csc(CN[C@H]2CC(C)(C)OC2(C)C)n1 ZINC000133578585 334045760 /nfs/dbraw/zinc/04/57/60/334045760.db2.gz YILMFDRYKIDHCJ-NSHDSACASA-N 0 1 296.480 3.876 20 0 CHADMN Cc1cc(CN(C[C@@H]2CCCO2)C2CCC(C)CC2)no1 ZINC000075834214 334053455 /nfs/dbraw/zinc/05/34/55/334053455.db2.gz NZOSOQBUFJUCGN-IMRCBTMISA-N 0 1 292.423 3.543 20 0 CHADMN Cc1cc(CN2CCCC3(C2)CCCCCC3)no1 ZINC000075968494 334063814 /nfs/dbraw/zinc/06/38/14/334063814.db2.gz KKXSCXKBDIYHDJ-UHFFFAOYSA-N 0 1 262.397 3.919 20 0 CHADMN CC[C@H]1CC[C@H](c2nc(-c3cc4nc[nH]c4c(C)c3)no2)O1 ZINC000547137397 334068565 /nfs/dbraw/zinc/06/85/65/334068565.db2.gz IPAYPMFWZNDCKN-WCQYABFASA-N 0 1 298.346 3.551 20 0 CHADMN C[C@H]1CCC[C@H](Cc2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000547159379 334069973 /nfs/dbraw/zinc/06/99/73/334069973.db2.gz HWRFKTOPJUPPAV-RYUDHWBXSA-N 0 1 296.374 3.982 20 0 CHADMN CCC1(CNC(=O)c2c(C)n[nH]c2C(C)C)CCCCC1 ZINC000547270279 334075660 /nfs/dbraw/zinc/07/56/60/334075660.db2.gz PZFSDIWHWVKGPA-UHFFFAOYSA-N 0 1 291.439 3.932 20 0 CHADMN C[C@@H](NCc1cccc2cccnc21)c1ccoc1 ZINC000134043667 334078446 /nfs/dbraw/zinc/07/84/46/334078446.db2.gz XBHWKPVSGPIINT-GFCCVEGCSA-N 0 1 252.317 3.679 20 0 CHADMN CCc1nnc(SCc2cc(Cl)ccc2Cl)[nH]1 ZINC000134154364 334082209 /nfs/dbraw/zinc/08/22/09/334082209.db2.gz YPPCJVYNICSBDI-UHFFFAOYSA-N 0 1 288.203 3.966 20 0 CHADMN CCc1n[nH]c(SCc2cc(Cl)ccc2Cl)n1 ZINC000134154364 334082210 /nfs/dbraw/zinc/08/22/10/334082210.db2.gz YPPCJVYNICSBDI-UHFFFAOYSA-N 0 1 288.203 3.966 20 0 CHADMN C[C@@H](NCc1ccoc1)c1ccc(OC(F)F)cc1 ZINC000134283381 334086795 /nfs/dbraw/zinc/08/67/95/334086795.db2.gz VQOFQEABBTWYAZ-SNVBAGLBSA-N 0 1 267.275 3.732 20 0 CHADMN C[C@@H](NCc1cnc(C2CC2)s1)c1cccc(O)c1 ZINC000134286209 334086863 /nfs/dbraw/zinc/08/68/63/334086863.db2.gz QAVXHLWPLCKOST-SNVBAGLBSA-N 0 1 274.389 3.577 20 0 CHADMN CCCCc1noc(CN[C@@H]2CCCC[C@H]2CCC)n1 ZINC000547509503 334096332 /nfs/dbraw/zinc/09/63/32/334096332.db2.gz CYBXFGRAGZKMDK-ZIAGYGMSSA-N 0 1 279.428 3.861 20 0 CHADMN Cc1cc(F)ccc1CNC1(c2ccc3c(c2)OCO3)CC1 ZINC000547510094 334096576 /nfs/dbraw/zinc/09/65/76/334096576.db2.gz KRXQLGAGPPMHBN-UHFFFAOYSA-N 0 1 299.345 3.642 20 0 CHADMN C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1cc(Cl)ccc1Cl ZINC000134644730 334098772 /nfs/dbraw/zinc/09/87/72/334098772.db2.gz MHMRBHVIPWDQAU-JFGNBEQYSA-N 0 1 286.202 3.581 20 0 CHADMN CCN(Cc1cc(C)ccc1OC)[C@@H](C)c1cccnc1 ZINC000564324260 334100269 /nfs/dbraw/zinc/10/02/69/334100269.db2.gz UJFFOERWJJQWBH-HNNXBMFYSA-N 0 1 284.403 3.982 20 0 CHADMN Cc1ccc([C@@H]2[C@@H](C)CCCN2Cc2ccon2)cc1 ZINC000077318468 334102242 /nfs/dbraw/zinc/10/22/42/334102242.db2.gz RVBFAYZRFXFUHC-YOEHRIQHSA-N 0 1 270.376 3.956 20 0 CHADMN CC[C@@H]1CCCN(Cc2cncc(Br)c2)CC1 ZINC000134756390 334102954 /nfs/dbraw/zinc/10/29/54/334102954.db2.gz AGMDJRDNUPEBGL-GFCCVEGCSA-N 0 1 297.240 3.856 20 0 CHADMN CC[C@H](C)Sc1nc(C=Cc2ccccc2)n[nH]1 ZINC000077928294 334119010 /nfs/dbraw/zinc/11/90/10/334119010.db2.gz MWWREEXSEXKFFI-USKTWTLRSA-N 0 1 259.378 3.866 20 0 CHADMN CC1(C)Cc2cccc(CNCc3ccccc3)c2O1 ZINC000078005619 334120464 /nfs/dbraw/zinc/12/04/64/334120464.db2.gz HTECNRMBHQCAQI-UHFFFAOYSA-N 0 1 267.372 3.690 20 0 CHADMN Cc1cc(C)c2c(c1)C[N@H+](Cc1ccc3[nH]cnc3c1)CC2 ZINC000547928794 334129644 /nfs/dbraw/zinc/12/96/44/334129644.db2.gz FDCYMGFGHWBJPA-UHFFFAOYSA-N 0 1 291.398 3.738 20 0 CHADMN Cc1ccc([O-])c(C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1 ZINC000078640670 334138187 /nfs/dbraw/zinc/13/81/87/334138187.db2.gz BZTUZWNYLJREDK-NWANDNLSSA-N 0 1 276.424 3.646 20 0 CHADMN CCC[C@@H]1CCCC[C@H]1NCc1nc(C(C)C)no1 ZINC000548160382 334144077 /nfs/dbraw/zinc/14/40/77/334144077.db2.gz DEQOKCMRTFVRGJ-CHWSQXEVSA-N 0 1 265.401 3.642 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(F)cc1C ZINC000136087510 334146109 /nfs/dbraw/zinc/14/61/09/334146109.db2.gz ZGLFUACJGBUTBZ-UHFFFAOYSA-N 0 1 275.327 3.541 20 0 CHADMN O=C(CCC1CCC1)Nc1cccc(Cl)c1O ZINC000175272843 335178889 /nfs/dbraw/zinc/17/88/89/335178889.db2.gz SRHVWIICMVJFQS-UHFFFAOYSA-N 0 1 253.729 3.564 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](C(C)C)c3ccccc32)c1C ZINC000548402625 334154337 /nfs/dbraw/zinc/15/43/37/334154337.db2.gz VMQJEVOGQFJTNR-HZPDHXFCSA-N 0 1 297.402 3.641 20 0 CHADMN OC1(CNCc2c(F)cccc2Cl)CCCCCC1 ZINC000079619284 334158265 /nfs/dbraw/zinc/15/82/65/334158265.db2.gz ZLVUIOXPQNZDLD-UHFFFAOYSA-N 0 1 285.790 3.654 20 0 CHADMN COc1cccc(CCCOc2cc(C)nc(C)c2)c1 ZINC000548470271 334158690 /nfs/dbraw/zinc/15/86/90/334158690.db2.gz DAVWIGKGKQKTCW-UHFFFAOYSA-N 0 1 271.360 3.719 20 0 CHADMN CN(Cc1cccc(O)c1)Cc1cc(F)cc(Cl)c1 ZINC000548587798 334163023 /nfs/dbraw/zinc/16/30/23/334163023.db2.gz KRCMNUJJPLNHNS-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN CC[N@@H+](CCCC(=O)[O-])[C@H](Cc1ccc(F)cc1)C(C)C ZINC000548627196 334164249 /nfs/dbraw/zinc/16/42/49/334164249.db2.gz WITXRLYASMQBHF-MRXNPFEDSA-N 0 1 295.398 3.580 20 0 CHADMN COC[C@H](NCc1cccc2[nH]ccc21)c1ccc(C)o1 ZINC000080237597 334167918 /nfs/dbraw/zinc/16/79/18/334167918.db2.gz FPELPZZQHHWVJV-INIZCTEOSA-N 0 1 284.359 3.547 20 0 CHADMN C[C@H](c1cccc2ccccc21)N1CCC(=O)[C@@H](C)C1 ZINC000549066193 334184353 /nfs/dbraw/zinc/18/43/53/334184353.db2.gz MXLUXRNWXFJKCD-UONOGXRCSA-N 0 1 267.372 3.812 20 0 CHADMN CC[C@H](NC[C@@H]1CCC2(CCCC2)O1)c1nc(C)cs1 ZINC000549131411 334185851 /nfs/dbraw/zinc/18/58/51/334185851.db2.gz DHVFATAFSINWIL-KBPBESRZSA-N 0 1 294.464 3.984 20 0 CHADMN FC(F)(F)CCN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000549168040 334186875 /nfs/dbraw/zinc/18/68/75/334186875.db2.gz JJLBAAZFNATZOT-VIFPVBQESA-N 0 1 289.263 3.993 20 0 CHADMN CCc1ccc(CSc2nc(-c3ccccc3)n[nH]2)nc1 ZINC000549300904 334189711 /nfs/dbraw/zinc/18/97/11/334189711.db2.gz ZDDLCVDSJZVKPA-UHFFFAOYSA-N 0 1 296.399 3.721 20 0 CHADMN CC[C@H]1CN(Cc2ncc(C)o2)CC[C@H]1c1ccccc1 ZINC000245407532 334190144 /nfs/dbraw/zinc/19/01/44/334190144.db2.gz BNAJJEZDNRRZFB-DOTOQJQBSA-N 0 1 284.403 3.999 20 0 CHADMN CC[C@H](CSC)N(C)Cc1sccc1Cl ZINC000549389446 334192302 /nfs/dbraw/zinc/19/23/02/334192302.db2.gz GOQNVANQXHDYIR-SECBINFHSA-N 0 1 263.859 3.975 20 0 CHADMN CCOC[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000081520913 334193938 /nfs/dbraw/zinc/19/39/38/334193938.db2.gz TVPLXLQGXCKQIE-LBPRGKRZSA-N 0 1 288.218 3.852 20 0 CHADMN COc1cccc([C@@H](C)N2CCc3sccc3C2)c1 ZINC000081647540 334201593 /nfs/dbraw/zinc/20/15/93/334201593.db2.gz OPOZJNRRTZSMBI-GFCCVEGCSA-N 0 1 273.401 3.876 20 0 CHADMN Fc1cc(CN[C@H]2CCC[C@H]2F)cc(C(F)(F)F)c1 ZINC000549938135 334209814 /nfs/dbraw/zinc/20/98/14/334209814.db2.gz VFWZDCKKLDEDLB-NEPJUHHUSA-N 0 1 279.252 3.825 20 0 CHADMN CC(C)C[C@H]1CCCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000138408937 334212076 /nfs/dbraw/zinc/21/20/76/334212076.db2.gz JWOXARQPUGBQPA-CYBMUJFWSA-N 0 1 277.412 3.574 20 0 CHADMN COc1ccc(F)c(CNCc2ccc(Cl)cc2)c1 ZINC000550077714 334212580 /nfs/dbraw/zinc/21/25/80/334212580.db2.gz CHVNMGGNQKQYSL-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN CC(C)[C@@H]1CN([C@H](C)c2ccc(F)cc2F)CCCO1 ZINC000550186908 334215460 /nfs/dbraw/zinc/21/54/60/334215460.db2.gz SCXMXHRKWFISIK-WBMJQRKESA-N 0 1 283.362 3.773 20 0 CHADMN Cc1c(Br)cccc1CN1C[C@H](C)[C@@H]1C ZINC000550305853 334219671 /nfs/dbraw/zinc/21/96/71/334219671.db2.gz KDBXSCYCHLGANO-ONGXEEELSA-N 0 1 268.198 3.598 20 0 CHADMN C[C@@H](c1ccccc1Br)N1C[C@@H](C)[C@@H]1C ZINC000550311930 334219798 /nfs/dbraw/zinc/21/97/98/334219798.db2.gz KJZYZIQRCPUDHO-VWYCJHECSA-N 0 1 268.198 3.850 20 0 CHADMN F[C@@H]1CCC[C@@H]1NCc1ccccc1OCC(F)(F)F ZINC000550320173 334220119 /nfs/dbraw/zinc/22/01/19/334220119.db2.gz VPDSAPXJPAISPE-NEPJUHHUSA-N 0 1 291.288 3.608 20 0 CHADMN COCCO[C@@H]1CCCN([C@H](C)c2cccc(Cl)c2)C1 ZINC000245895556 334223242 /nfs/dbraw/zinc/22/32/42/334223242.db2.gz PFUDRGLQFSNGCW-CZUORRHYSA-N 0 1 297.826 3.528 20 0 CHADMN CC(C)[C@H]1CN(Cc2ccc(F)cc2Cl)CCCO1 ZINC000550558208 334224362 /nfs/dbraw/zinc/22/43/62/334224362.db2.gz DKIYOJWEYVNTLJ-OAHLLOKOSA-N 0 1 285.790 3.726 20 0 CHADMN C[C@H](CN1CCO[C@@H](c2cccc(O)c2)C1)c1ccccc1 ZINC000246999751 334273792 /nfs/dbraw/zinc/27/37/92/334273792.db2.gz JSOLMHACIMVXIB-DNVCBOLYSA-N 0 1 297.398 3.569 20 0 CHADMN CC[C@@H]1CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)CC1 ZINC000550856795 334230470 /nfs/dbraw/zinc/23/04/70/334230470.db2.gz XAQBCAFIVNJFSG-CQSZACIVSA-N 0 1 297.402 3.729 20 0 CHADMN CCCC[C@@H]1CCC[C@@H]1NCc1ncn(-c2ccccc2)n1 ZINC000550929331 334233716 /nfs/dbraw/zinc/23/37/16/334233716.db2.gz ZXBAJVOMEUYETN-WBVHZDCISA-N 0 1 298.434 3.716 20 0 CHADMN Cc1cccnc1[C@H]1CCC[C@H](NCC(C)(F)F)C1 ZINC000551251845 334242992 /nfs/dbraw/zinc/24/29/92/334242992.db2.gz FHGNNICJCGROMB-STQMWFEESA-N 0 1 268.351 3.661 20 0 CHADMN CC(F)(F)CN[C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000551263122 334243301 /nfs/dbraw/zinc/24/33/01/334243301.db2.gz MNPMZVMVJHFANW-STQMWFEESA-N 0 1 257.299 3.707 20 0 CHADMN COc1ccccc1[C@H](N[C@@H]1CCO[C@H]1C)c1ccccc1 ZINC000246280252 334248269 /nfs/dbraw/zinc/24/82/69/334248269.db2.gz BMFGEMHBBUMWIW-POZUXBRTSA-N 0 1 297.398 3.552 20 0 CHADMN CCO[C@@H](C)c1noc(CN2CCC[C@H]2C(C)(C)CC)n1 ZINC000246318640 334250820 /nfs/dbraw/zinc/25/08/20/334250820.db2.gz RKKDNLPOKTWBAC-STQMWFEESA-N 0 1 295.427 3.568 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc(C2CCCC2)no1 ZINC000246581941 334264702 /nfs/dbraw/zinc/26/47/02/334264702.db2.gz GEXQZDGHXMURAT-BPLDGKMQSA-N 0 1 289.423 3.880 20 0 CHADMN CCc1ccccc1CNCc1cccc(F)c1F ZINC000084200285 334271153 /nfs/dbraw/zinc/27/11/53/334271153.db2.gz HAQNFHBFCYLQTM-UHFFFAOYSA-N 0 1 261.315 3.817 20 0 CHADMN CCO[C@@H]1C[C@@H]1N[C@@H](CCC(C)C)c1ccoc1 ZINC000552055623 334282205 /nfs/dbraw/zinc/28/22/05/334282205.db2.gz WPLMHKFPKUFSPX-SOUVJXGZSA-N 0 1 251.370 3.524 20 0 CHADMN CC[C@H](N[C@@H](CO)c1ccccc1OC)c1cccc(C)c1 ZINC000552063860 334283935 /nfs/dbraw/zinc/28/39/35/334283935.db2.gz PWKWMAVPIQGBGM-ROUUACIJSA-N 0 1 299.414 3.778 20 0 CHADMN Cc1cc(-c2noc([C@H](C)N3CCC[C@H]3C)n2)ccc1F ZINC000247534061 334284581 /nfs/dbraw/zinc/28/45/81/334284581.db2.gz OMHOVOGQBZVRKH-NEPJUHHUSA-N 0 1 289.354 3.729 20 0 CHADMN C[C@@H](CN[C@@H](c1ncc[nH]1)C1CCCCC1)C(F)(F)F ZINC000552066277 334284713 /nfs/dbraw/zinc/28/47/13/334284713.db2.gz CRGGMZHCCVWMLZ-CMPLNLGQSA-N 0 1 289.345 3.819 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1nc(C(C)(C)C)no1 ZINC000248092714 334294636 /nfs/dbraw/zinc/29/46/36/334294636.db2.gz LVTHTPDMGMKUGV-MROQNXINSA-N 0 1 279.428 3.842 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000248485444 334304011 /nfs/dbraw/zinc/30/40/11/334304011.db2.gz KRHBWGLJINYRBJ-AKCHCHLHSA-N 0 1 293.476 3.682 20 0 CHADMN C[C@@H]1CCC[C@H](C)[C@H]1NCc1nc(C2CCCC2)no1 ZINC000248593029 334307370 /nfs/dbraw/zinc/30/73/70/334307370.db2.gz RUSIFDJVEYPOIO-JYAVWHMHSA-N 0 1 277.412 3.642 20 0 CHADMN C[C@@H](N[C@H]1C[C@H](C)C[C@H](C)C1)c1nc(C(C)(C)C)no1 ZINC000248844164 334319562 /nfs/dbraw/zinc/31/95/62/334319562.db2.gz MPHCQQHDROAPJE-XQHKEYJVSA-N 0 1 279.428 3.842 20 0 CHADMN CCC1(CC)[C@@H](NCc2cc(C(C)(C)C)on2)C[C@@H]1OC ZINC000564390934 334320423 /nfs/dbraw/zinc/32/04/23/334320423.db2.gz QGCCFFKDUCATDF-ZFWWWQNUSA-N 0 1 294.439 3.655 20 0 CHADMN CCC1(CC)[C@H](NCc2cc(C(C)(C)C)on2)C[C@H]1OC ZINC000564390933 334320453 /nfs/dbraw/zinc/32/04/53/334320453.db2.gz QGCCFFKDUCATDF-UKRRQHHQSA-N 0 1 294.439 3.655 20 0 CHADMN CC[C@H](N[C@H](C)c1csc(C(C)C)n1)[C@H]1CCCO1 ZINC000248921775 334321826 /nfs/dbraw/zinc/32/18/26/334321826.db2.gz FGDBOZPHOQGSFN-MBNYWOFBSA-N 0 1 282.453 3.875 20 0 CHADMN C[C@@H](NC[C@H]1CC[C@@H](C)O1)c1c(F)cccc1Cl ZINC000249063646 334326490 /nfs/dbraw/zinc/32/64/90/334326490.db2.gz JVJLPOPBOPVREU-GMTAPVOTSA-N 0 1 271.763 3.697 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](OCCOC)C1 ZINC000249340165 334332386 /nfs/dbraw/zinc/33/23/86/334332386.db2.gz IVXFTTRONGRRJO-HZPDHXFCSA-N 0 1 297.826 3.528 20 0 CHADMN CC(C)c1ccc([C@H]2CCCN2C(=O)c2ccn[nH]2)cc1 ZINC000089358098 334344497 /nfs/dbraw/zinc/34/44/97/334344497.db2.gz WEEFTDOJHYCNLI-MRXNPFEDSA-N 0 1 283.375 3.510 20 0 CHADMN CCc1onc(C)c1NC(=O)c1cc(C(CC)CC)no1 ZINC000089398128 334344769 /nfs/dbraw/zinc/34/47/69/334344769.db2.gz YFWGDFNQRCARMA-UHFFFAOYSA-N 0 1 291.351 3.689 20 0 CHADMN Cc1ccc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c(C)c1 ZINC000251137516 334357124 /nfs/dbraw/zinc/35/71/24/334357124.db2.gz BEKDCPCMYWSDPN-UAGQMJEPSA-N 0 1 287.403 3.521 20 0 CHADMN C[C@H](C[N@@H+](C)[C@H](C)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000251142350 334357214 /nfs/dbraw/zinc/35/72/14/334357214.db2.gz WOCHSYLFABTRAN-CHWSQXEVSA-N 0 1 277.408 3.698 20 0 CHADMN COC[C@@H]1CN([C@@H](C)c2ccc3ccccc3c2)C[C@H](C)O1 ZINC000251779906 334369484 /nfs/dbraw/zinc/36/94/84/334369484.db2.gz LHUCSMFFNLGFDQ-DOXZYTNZSA-N 0 1 299.414 3.637 20 0 CHADMN C[C@H]1C[C@H](NC(=O)c2ccc(O)c(Cl)c2)C[C@@H](C)C1 ZINC000252217765 334377366 /nfs/dbraw/zinc/37/73/66/334377366.db2.gz ZPNPFBXKGJSHMG-IAZYJMLFSA-N 0 1 281.783 3.600 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H](C)c3cccc(F)c3)ccc12 ZINC000091833819 334384368 /nfs/dbraw/zinc/38/43/68/334384368.db2.gz XZWVJAWQMNIXMK-JTQLQIEISA-N 0 1 297.333 3.753 20 0 CHADMN Cc1ccc([O-])c(C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1 ZINC000252672673 334384913 /nfs/dbraw/zinc/38/49/13/334384913.db2.gz BZTUZWNYLJREDK-VHDGCEQUSA-N 0 1 276.424 3.646 20 0 CHADMN Cc1ccc2nc(NC(=O)c3ccc(F)c(C)c3)[nH]c2c1 ZINC000553485062 334387645 /nfs/dbraw/zinc/38/76/45/334387645.db2.gz ANZCTOVWMPFYJI-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN C[C@@H]1CN(C2CCCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000252774724 334392394 /nfs/dbraw/zinc/39/23/94/334392394.db2.gz UMHGEEPCMIJXTR-WBMJQRKESA-N 0 1 263.356 3.530 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NC(C1CCC1)C1CCC1 ZINC000553625356 334393708 /nfs/dbraw/zinc/39/37/08/334393708.db2.gz MHRGTJVCAWAYQS-UHFFFAOYSA-N 0 1 289.423 3.540 20 0 CHADMN Cc1ccoc1CN[C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000553898697 334402844 /nfs/dbraw/zinc/40/28/44/334402844.db2.gz OMTZKUXSFDDQPR-ZBEGNZNMSA-N 0 1 259.324 3.750 20 0 CHADMN CC(C)c1ncc(CN2C[C@H](C)S[C@@H](C)C2)s1 ZINC000092540337 334422351 /nfs/dbraw/zinc/42/23/51/334422351.db2.gz RJDNFRYVXXDJCS-QWRGUYRKSA-N 0 1 270.467 3.592 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@@H]1NCc1ccnc2ccccc12 ZINC000554723795 334448790 /nfs/dbraw/zinc/44/87/90/334448790.db2.gz RNNUOGSCZVAUTE-ORAYPTAESA-N 0 1 290.366 3.847 20 0 CHADMN CCc1nocc1CNCCOc1ccc2ccccc2c1 ZINC000555523778 334480266 /nfs/dbraw/zinc/48/02/66/334480266.db2.gz BIWSJNQQBYEFPZ-UHFFFAOYSA-N 0 1 296.370 3.559 20 0 CHADMN CCO[C@@H]1C[C@@H]1N[C@H](C)c1cc2ccc(C)cc2o1 ZINC000556078500 334494531 /nfs/dbraw/zinc/49/45/31/334494531.db2.gz OMCXTMFIUDABBT-PVXIVEMSSA-N 0 1 259.349 3.569 20 0 CHADMN FC(F)c1ccc(CNc2ccc3c(n2)CCC3)cc1 ZINC000556173580 334498111 /nfs/dbraw/zinc/49/81/11/334498111.db2.gz ASOVJGZOZNXYFQ-UHFFFAOYSA-N 0 1 274.314 3.542 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)c2ccoc2)c1 ZINC000094867724 334506428 /nfs/dbraw/zinc/50/64/28/334506428.db2.gz NFOKQXGGWAQSOS-RYUDHWBXSA-N 0 1 272.348 3.650 20 0 CHADMN Cc1ccc2oc(-c3nc(C4(N)CCCCC4)no3)cc2c1 ZINC000261922010 334520301 /nfs/dbraw/zinc/52/03/01/334520301.db2.gz HZYYYDMDXXASFK-UHFFFAOYSA-N 0 1 297.358 3.909 20 0 CHADMN Fc1ccc(CN2CC(Cc3ccc(F)c(F)c3)C2)cc1 ZINC000565109811 334538997 /nfs/dbraw/zinc/53/89/97/334538997.db2.gz JENVVCPXDLSCAF-UHFFFAOYSA-N 0 1 291.316 3.778 20 0 CHADMN Cc1ccc(CN[C@@H]2c3ccccc3O[C@H]2C)cc1C ZINC000565268865 334549117 /nfs/dbraw/zinc/54/91/17/334549117.db2.gz QKDQLZSPHIOVBX-KSSFIOAISA-N 0 1 267.372 3.915 20 0 CHADMN CCCC[C@H]1CCC[C@H]1NCc1ncc(CC)o1 ZINC000565633329 334581736 /nfs/dbraw/zinc/58/17/36/334581736.db2.gz BXNTWQCFOIJVGT-GXTWGEPZSA-N 0 1 250.386 3.686 20 0 CHADMN Cc1noc(C[C@H](NCc2ccsc2)c2ccccc2)n1 ZINC000566891992 334668429 /nfs/dbraw/zinc/66/84/29/334668429.db2.gz WYTNDKXAJJWJRD-HNNXBMFYSA-N 0 1 299.399 3.513 20 0 CHADMN CCc1c2ccccc2oc1[C@@H](C)NCc1cncn1C ZINC000263852058 334674800 /nfs/dbraw/zinc/67/48/00/334674800.db2.gz OSUIROFXLKQAQV-GFCCVEGCSA-N 0 1 283.375 3.580 20 0 CHADMN CCn1nc(C)c(CN[C@@H](C)c2ccccc2F)c1C ZINC000307973063 334683736 /nfs/dbraw/zinc/68/37/36/334683736.db2.gz YFEAWUNJUHGZJQ-NSHDSACASA-N 0 1 275.371 3.510 20 0 CHADMN CCO[C@H](CNCc1cccc(F)c1F)c1ccccc1 ZINC000568716385 334837453 /nfs/dbraw/zinc/83/74/53/334837453.db2.gz ROCDTLUJVKQUJE-MRXNPFEDSA-N 0 1 291.341 3.832 20 0 CHADMN CC(C)c1ccc(O[C@@H](C)CNCc2cscn2)cc1 ZINC000569014006 334851407 /nfs/dbraw/zinc/85/14/07/334851407.db2.gz GTILFNBFCJHJFY-ZDUSSCGKSA-N 0 1 290.432 3.824 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](c2ncccc2C)C(C)C)ccn1 ZINC000573106124 334908876 /nfs/dbraw/zinc/90/88/76/334908876.db2.gz HVAJMRMDKQTGJG-RHSMWYFYSA-N 0 1 299.418 3.842 20 0 CHADMN Cc1nnc([C@H](C)N[C@@H](C)CCC(C)(C)C)s1 ZINC000342569536 335183070 /nfs/dbraw/zinc/18/30/70/335183070.db2.gz AEIKOIGNJIZZKD-UWVGGRQHSA-N 0 1 255.431 3.712 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@@H]1CCc2sc(Cl)cc21 ZINC000576479833 335210404 /nfs/dbraw/zinc/21/04/04/335210404.db2.gz RONXOYRCSZDRKV-JOYOIKCWSA-N 0 1 293.823 3.838 20 0 CHADMN FC(F)(F)C1CN(Cc2cccc3ccccc32)C1 ZINC000576504093 335212183 /nfs/dbraw/zinc/21/21/83/335212183.db2.gz QVFHGBKJFVYQBL-UHFFFAOYSA-N 0 1 265.278 3.834 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000576589662 335223628 /nfs/dbraw/zinc/22/36/28/335223628.db2.gz AXPYUGWVAFTTDW-SMDDNHRTSA-N 0 1 281.783 3.588 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CC[C@@H](C2CC2)C1 ZINC000344009314 335231712 /nfs/dbraw/zinc/23/17/12/335231712.db2.gz QULCZWVBDPXIKI-MRXNPFEDSA-N 0 1 287.403 3.520 20 0 CHADMN CCc1ccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)s1 ZINC000576677526 335233410 /nfs/dbraw/zinc/23/34/10/335233410.db2.gz WCBFDAZMOPVDBC-GFCCVEGCSA-N 0 1 295.839 3.607 20 0 CHADMN C[N@@H+](CC1CCCCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000576710698 335238455 /nfs/dbraw/zinc/23/84/55/335238455.db2.gz QOQPAMYMNFQPIU-QGZVFWFLSA-N 0 1 289.419 3.585 20 0 CHADMN Cc1ccccc1CN[C@H]1c2ccccc2O[C@H]1C ZINC000576903053 335262462 /nfs/dbraw/zinc/26/24/62/335262462.db2.gz QLXVWTNDTQNQNM-SUMWQHHRSA-N 0 1 253.345 3.607 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2[C@@H](C(=O)[O-])c2ccccc2)o1 ZINC000580574712 335288058 /nfs/dbraw/zinc/28/80/58/335288058.db2.gz HYMRTVREKRYQQI-GOEBONIOSA-N 0 1 285.343 3.551 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccc(OC)cc2)nc1 ZINC000345121115 335298253 /nfs/dbraw/zinc/29/82/53/335298253.db2.gz OWUGISFYGMYZNS-ZDUSSCGKSA-N 0 1 270.376 3.503 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccccc1OC)c1ccsc1 ZINC000577262111 335331484 /nfs/dbraw/zinc/33/14/84/335331484.db2.gz NBONLORCLIGKTI-HUUCEWRRSA-N 0 1 291.416 3.531 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CCC(F)(F)[C@@H](C)C1 ZINC000577326604 335338648 /nfs/dbraw/zinc/33/86/48/335338648.db2.gz PJFOCSYPJLOEAW-WDEREUQCSA-N 0 1 257.299 3.864 20 0 CHADMN CC[C@H]1CCCCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000577380611 335345231 /nfs/dbraw/zinc/34/52/31/335345231.db2.gz FFKVTDDTOIAFLI-LBPRGKRZSA-N 0 1 267.394 3.601 20 0 CHADMN Cc1ccccc1[C@@H]1CN(C[C@H]2CCC(F)(F)C2)CCO1 ZINC000577466994 335355379 /nfs/dbraw/zinc/35/53/79/335355379.db2.gz PPRWNLAFRNJPKA-HOCLYGCPSA-N 0 1 295.373 3.804 20 0 CHADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1ccc(Cl)c2ccccc12 ZINC000577499706 335360292 /nfs/dbraw/zinc/36/02/92/335360292.db2.gz IACDYFNDEBDGTG-OAHLLOKOSA-N 0 1 289.762 3.542 20 0 CHADMN Cc1nsc(C)c1CNC1(c2ccccc2)CCC1 ZINC000577622371 335380236 /nfs/dbraw/zinc/38/02/36/335380236.db2.gz RJHCBPLLUXFKAX-UHFFFAOYSA-N 0 1 272.417 3.929 20 0 CHADMN Cc1ccc2nc(S[C@@H]3C[C@@H](C)O[C@@H](C)C3)[nH]c2c1 ZINC000577641712 335384864 /nfs/dbraw/zinc/38/48/64/335384864.db2.gz SONFOOCIOCYYPJ-ZSBIGDGJSA-N 0 1 276.405 3.919 20 0 CHADMN CCC(C)(C)CC[N@@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000577738017 335394643 /nfs/dbraw/zinc/39/46/43/335394643.db2.gz KUHYGKMQWVNJGH-UHFFFAOYSA-N 0 1 299.361 3.678 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](CCC)CCc1cccs1 ZINC000577760449 335398563 /nfs/dbraw/zinc/39/85/63/335398563.db2.gz CSLVCNMLTAQZRC-CQSZACIVSA-N 0 1 283.437 3.646 20 0 CHADMN C[C@H]1Oc2ccccc2[C@@H]1NCc1cccc(Cl)c1 ZINC000577914503 335419999 /nfs/dbraw/zinc/41/99/99/335419999.db2.gz WSFOAWNGJCTUJI-BDJLRTHQSA-N 0 1 273.763 3.952 20 0 CHADMN Cc1nnc([C@H](C)NCCCC2CCCCC2)s1 ZINC000348260310 335421273 /nfs/dbraw/zinc/42/12/73/335421273.db2.gz IXMABFAXAFXNPR-NSHDSACASA-N 0 1 267.442 3.858 20 0 CHADMN Cc1nnc([C@H](C)NCCC2CCCCCC2)s1 ZINC000348260046 335421545 /nfs/dbraw/zinc/42/15/45/335421545.db2.gz IPKISCCPWKBACD-NSHDSACASA-N 0 1 267.442 3.858 20 0 CHADMN Cc1ccccc1[C@H](N[C@H](C)c1nccn1C)C(C)C ZINC000182958448 335853072 /nfs/dbraw/zinc/85/30/72/335853072.db2.gz OYZSMSCIXYCQIY-GDBMZVCRSA-N 0 1 271.408 3.776 20 0 CHADMN CC[C@@H](NCCOc1ccccc1F)c1nc(C)cs1 ZINC000184349253 335924075 /nfs/dbraw/zinc/92/40/75/335924075.db2.gz RAVFKUZGUSKQKQ-CYBMUJFWSA-N 0 1 294.395 3.710 20 0 CHADMN FC(F)Oc1ccccc1CN1CC(C2CCC2)C1 ZINC000580801290 335968488 /nfs/dbraw/zinc/96/84/88/335968488.db2.gz XVOSALMXHMWYGD-UHFFFAOYSA-N 0 1 267.319 3.520 20 0 CHADMN CCc1nc([C@@H](C)NCCc2ncc(C)cc2C)cs1 ZINC000581129500 336012162 /nfs/dbraw/zinc/01/21/62/336012162.db2.gz SSRWSVAWQURTBN-CYBMUJFWSA-N 0 1 289.448 3.611 20 0 CHADMN COc1cc(CNC2(c3cccc(F)c3)CC2)ccc1C ZINC000194328262 336017268 /nfs/dbraw/zinc/01/72/68/336017268.db2.gz VLWIIWZHRZLDMZ-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN COc1cccc2c1CCC[C@H]2NCc1cccc(C)n1 ZINC000194859435 336039756 /nfs/dbraw/zinc/03/97/56/336039756.db2.gz XFCMRYMOEUFPAJ-QGZVFWFLSA-N 0 1 282.387 3.566 20 0 CHADMN COC(=O)c1sccc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000381324409 336059497 /nfs/dbraw/zinc/05/94/97/336059497.db2.gz URISATJZPYNNSE-JSGCOSHPSA-N 0 1 293.432 3.689 20 0 CHADMN CCO[C@H](C)c1noc(CN(C)CC(C(C)C)C(C)C)n1 ZINC000581385073 336066448 /nfs/dbraw/zinc/06/64/48/336066448.db2.gz BJQWFPORPVJDPJ-CYBMUJFWSA-N 0 1 297.443 3.527 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)[C@@H]1C ZINC000381527185 336067384 /nfs/dbraw/zinc/06/73/84/336067384.db2.gz OJSPILNCPHLUAV-GHMZBOCLSA-N 0 1 281.783 3.659 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000381572298 336068702 /nfs/dbraw/zinc/06/87/02/336068702.db2.gz ZBLNQGYNMYQQMO-LLVKDONJSA-N 0 1 281.783 3.660 20 0 CHADMN O=C([O-])c1cccc(Cl)c1C[N@@H+](C1CC1)C1CCCC1 ZINC000581434574 336077214 /nfs/dbraw/zinc/07/72/14/336077214.db2.gz FCTCXNFDHPYUGI-UHFFFAOYSA-N 0 1 293.794 3.945 20 0 CHADMN COc1cc([C@@H](C)NCc2cc3cc(C)ccc3o2)ccn1 ZINC000581451825 336079765 /nfs/dbraw/zinc/07/97/65/336079765.db2.gz TZGILQIBAYWIBP-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN CCc1ccc(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)cn1 ZINC000581515442 336092532 /nfs/dbraw/zinc/09/25/32/336092532.db2.gz QTWVKACCAJOFQL-SFYZZRBRSA-N 0 1 270.420 3.655 20 0 CHADMN Cc1cc(C)c(NC(=O)CN(C)C(C)(C)C)c(Cl)c1 ZINC000581546395 336099556 /nfs/dbraw/zinc/09/95/56/336099556.db2.gz MDDVUAYTDGZRON-UHFFFAOYSA-N 0 1 282.815 3.626 20 0 CHADMN CC[C@H](C)C[C@@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000383060370 336103759 /nfs/dbraw/zinc/10/37/59/336103759.db2.gz NGWGYMBKBHJALT-WDEREUQCSA-N 0 1 255.789 3.960 20 0 CHADMN C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000383051490 336103796 /nfs/dbraw/zinc/10/37/96/336103796.db2.gz KUFOWTYTLRLDEO-PWSUYJOCSA-N 0 1 253.773 3.714 20 0 CHADMN CC1(C)CC[NH+](Cc2cccc([O-])c2Cl)CC1 ZINC000383117529 336104400 /nfs/dbraw/zinc/10/44/00/336104400.db2.gz GMJICPJQEIKYKM-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN C[C@@H]1CCC[N@H+](Cc2cccc([O-])c2Cl)[C@H]1C ZINC000383184833 336105802 /nfs/dbraw/zinc/10/58/02/336105802.db2.gz QOYRZIRJYGCMEQ-MNOVXSKESA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cccc([O-])c2Cl)[C@H]1C ZINC000383184833 336105804 /nfs/dbraw/zinc/10/58/04/336105804.db2.gz QOYRZIRJYGCMEQ-MNOVXSKESA-N 0 1 253.773 3.666 20 0 CHADMN CC[C@H](C)N(CCO)Cc1cccc(Cl)c1Cl ZINC000383341952 336107445 /nfs/dbraw/zinc/10/74/45/336107445.db2.gz KYRFLURVSJOIRX-JTQLQIEISA-N 0 1 276.207 3.586 20 0 CHADMN CS[C@H]1CCC[C@@H](Nc2ccnc(C)c2Cl)C1 ZINC000383490566 336110475 /nfs/dbraw/zinc/11/04/75/336110475.db2.gz ATBGQHFIWLISDK-MNOVXSKESA-N 0 1 270.829 3.551 20 0 CHADMN CCN(Cc1ccc(OC)cc1Br)CC1CC1 ZINC000581634304 336115323 /nfs/dbraw/zinc/11/53/23/336115323.db2.gz IDWYBBUCPHCPQT-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN C[C@@H]1C[C@@H](C)N1Cc1cnc(-c2ccccc2F)s1 ZINC000581647781 336117211 /nfs/dbraw/zinc/11/72/11/336117211.db2.gz MXCQNHLPZVRRDN-GHMZBOCLSA-N 0 1 276.380 3.932 20 0 CHADMN COc1ccc(F)cc1CNC(C)(C)c1ccccc1 ZINC000383930668 336119480 /nfs/dbraw/zinc/11/94/80/336119480.db2.gz VEXVQLOFOFEWEX-UHFFFAOYSA-N 0 1 273.351 3.859 20 0 CHADMN Cc1nc2c(n1C[C@@H](C)c1ccccc1)CCCC2 ZINC000384684244 336129085 /nfs/dbraw/zinc/12/90/85/336129085.db2.gz BBAJDYVZJXFVDB-CYBMUJFWSA-N 0 1 254.377 3.874 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCC1=CCCCC1 ZINC000385104029 336138360 /nfs/dbraw/zinc/13/83/60/336138360.db2.gz BLGJRDNFFVDPOA-OAGGEKHMSA-N 0 1 277.408 3.595 20 0 CHADMN C[C@H](O)[C@@H](N[C@H]1CCc2ccccc21)c1ccccc1F ZINC000581730571 336139264 /nfs/dbraw/zinc/13/92/64/336139264.db2.gz MIJRARSYENENPE-UYHISHBKSA-N 0 1 285.362 3.525 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000581731913 336139556 /nfs/dbraw/zinc/13/95/56/336139556.db2.gz VSNYTYMDGXWSTD-DGCLKSJQSA-N 0 1 281.421 3.847 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000581731979 336139626 /nfs/dbraw/zinc/13/96/26/336139626.db2.gz YFBRIVSJNMOVBC-GFCCVEGCSA-N 0 1 287.359 3.788 20 0 CHADMN CC1(C)CC[C@H]1NCc1ncc(-c2cccc(F)c2)o1 ZINC000581734318 336139803 /nfs/dbraw/zinc/13/98/03/336139803.db2.gz HLTJJHGVSUYNCS-CQSZACIVSA-N 0 1 274.339 3.759 20 0 CHADMN C[N@@H+](CCCc1ccccc1)Cc1ccsc1C(=O)[O-] ZINC000581948760 336174947 /nfs/dbraw/zinc/17/49/47/336174947.db2.gz AKRPXKYCMTWNHY-UHFFFAOYSA-N 0 1 289.400 3.511 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000386634783 336176802 /nfs/dbraw/zinc/17/68/02/336176802.db2.gz HFXBSXKJFPUDCO-CYBMUJFWSA-N 0 1 291.370 3.881 20 0 CHADMN COc1cccc(Cl)c1CN[C@H]1CC12CCCC2 ZINC000387189544 336187764 /nfs/dbraw/zinc/18/77/64/336187764.db2.gz WEMGYKHEWWRKGJ-AWEZNQCLSA-N 0 1 265.784 3.771 20 0 CHADMN CCc1ccc([C@H]2CC[N@H+]([C@H](CC(C)C)C(=O)[O-])C2)cc1 ZINC000582014800 336192545 /nfs/dbraw/zinc/19/25/45/336192545.db2.gz KHRJJFMPGPJKAY-DLBZAZTESA-N 0 1 289.419 3.538 20 0 CHADMN CCC1CCC(N(C)Cc2ncc(C3CC3)o2)CC1 ZINC000340693722 519853518 /nfs/dbraw/zinc/85/35/18/519853518.db2.gz RDUOBXFHJYNKLX-UHFFFAOYSA-N 0 1 262.397 3.953 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN(C[C@H]2CC[C@@H](C)O2)C2CC2)o1 ZINC000354873687 533745540 /nfs/dbraw/zinc/74/55/40/533745540.db2.gz DGCZBMDAWDBJEZ-SMKXDYDZSA-N 0 1 289.419 3.935 20 0 CHADMN COc1ccc(Cl)cc1CN1CCCC2(CC2)C1 ZINC000351914848 533850550 /nfs/dbraw/zinc/85/05/50/533850550.db2.gz FWXIHORPUGWCAC-UHFFFAOYSA-N 0 1 265.784 3.725 20 0 CHADMN C[C@@H]1CCC[C@H](NCc2nc(Cc3ccccc3)no2)[C@@H]1C ZINC000192699111 533877802 /nfs/dbraw/zinc/87/78/02/533877802.db2.gz HWWLNAJHGHECGZ-FMKPAKJESA-N 0 1 299.418 3.575 20 0 CHADMN C[C@H](N[C@@H](C)[C@@H]1CCCCO1)c1nc2c(s1)CCCC2 ZINC000347347125 533972543 /nfs/dbraw/zinc/97/25/43/533972543.db2.gz RXSGVKDISLXSJQ-OBJOEFQTSA-N 0 1 294.464 3.630 20 0 CHADMN C[C@@H]1C[C@H]1CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000353804680 534016721 /nfs/dbraw/zinc/01/67/21/534016721.db2.gz FBMBIHKKKLSUMI-PWSUYJOCSA-N 0 1 283.375 3.815 20 0 CHADMN C[C@H](Nc1cc2c(cn1)CCCC2)c1ccccn1 ZINC000336031848 534019566 /nfs/dbraw/zinc/01/95/66/534019566.db2.gz KZHQGHUZCJOSNR-LBPRGKRZSA-N 0 1 253.349 3.529 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@H]2C(C)(C)C)c1 ZINC000355024140 534078314 /nfs/dbraw/zinc/07/83/14/534078314.db2.gz QOOZHUYOZBWONZ-AWEZNQCLSA-N 0 1 285.391 3.522 20 0 CHADMN C[C@]1(C(N)=O)CCCCN1CCOC1CCCCCC1 ZINC000332262476 534161972 /nfs/dbraw/zinc/16/19/72/534161972.db2.gz AYCHCBXOAIHSHG-MRXNPFEDSA-N 0 1 282.428 3.506 20 0 CHADMN C[C@@H]1CC[C@H](c2nc(C3(N)CCCCC3)no2)C[C@H]1C ZINC000331704689 534261947 /nfs/dbraw/zinc/26/19/47/534261947.db2.gz XSZXZNABRIKGQL-UPJWGTAASA-N 0 1 277.412 3.727 20 0 CHADMN CC(C)(C)CC(C)(C)NCc1ncc(C2CC2)o1 ZINC000340837495 518629653 /nfs/dbraw/zinc/62/96/53/518629653.db2.gz DVLGYJSGSHUFTK-UHFFFAOYSA-N 0 1 250.386 3.856 20 0 CHADMN CC(C)(C)c1ccc(NC(=O)[C@@](C)(N)c2ccccc2)cc1 ZINC000236590694 519036160 /nfs/dbraw/zinc/03/61/60/519036160.db2.gz MRHHYMRSPUKYRQ-IBGZPJMESA-N 0 1 296.414 3.797 20 0 CHADMN CC(C)(C)c1ncc(CNCc2ccc(F)cc2)s1 ZINC000059180689 519113030 /nfs/dbraw/zinc/11/30/30/519113030.db2.gz OUYUJJIYLKFFOP-UHFFFAOYSA-N 0 1 278.396 3.870 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cccc(C(F)(F)F)c2)n1 ZINC000339387869 519227363 /nfs/dbraw/zinc/22/73/63/519227363.db2.gz QCNPLBQXMKIHMV-LLVKDONJSA-N 0 1 299.296 3.801 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C(C)(C)c2cccs2)n1 ZINC000339385360 519230866 /nfs/dbraw/zinc/23/08/66/519230866.db2.gz PFOUZWCKJVMXMH-SNVBAGLBSA-N 0 1 279.409 3.503 20 0 CHADMN CC(C)C[C@@H](N)c1noc(CCc2cc3ccccc3o2)n1 ZINC000339397266 519233188 /nfs/dbraw/zinc/23/31/88/519233188.db2.gz RMELSYWVIHZTPE-CQSZACIVSA-N 0 1 299.374 3.647 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C[C@H](C)c2cccc(F)c2)n1 ZINC000339398771 519236445 /nfs/dbraw/zinc/23/64/45/519236445.db2.gz XGIIQPLULAXTMH-SMDDNHRTSA-N 0 1 291.370 3.601 20 0 CHADMN C=Cc1ccc(CCN[C@@H](C)c2cc(C)on2)cc1 ZINC000291160996 519317449 /nfs/dbraw/zinc/31/74/49/519317449.db2.gz JBLSBYASJOTFSM-ZDUSSCGKSA-N 0 1 256.349 3.519 20 0 CHADMN CC(C)(NCc1ccc(F)cn1)c1cccc(Cl)c1 ZINC000276218147 519320629 /nfs/dbraw/zinc/32/06/29/519320629.db2.gz LRICTCLSHGHHTE-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN C=Cn1cc(CN[C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)cn1 ZINC000337257153 519328387 /nfs/dbraw/zinc/32/83/87/519328387.db2.gz NSYDVBAJMJMIAD-LRDDRELGSA-N 0 1 287.794 3.662 20 0 CHADMN Cc1ccncc1CNCc1ccccc1N(C)C(C)C ZINC000354935653 534419086 /nfs/dbraw/zinc/41/90/86/534419086.db2.gz RDDXROUYGBUMTL-UHFFFAOYSA-N 0 1 283.419 3.524 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2csc3ccccc23)n1 ZINC000339390165 519373756 /nfs/dbraw/zinc/37/37/56/519373756.db2.gz ISTSCFJSCGURDT-LBPRGKRZSA-N 0 1 287.388 3.997 20 0 CHADMN CC(C)C[C@H]1CCCN(Cc2nc(-c3ccco3)no2)C1 ZINC000119215388 519408774 /nfs/dbraw/zinc/40/87/74/519408774.db2.gz ZTLXHWKVJXUAEG-CYBMUJFWSA-N 0 1 289.379 3.588 20 0 CHADMN CC(C)[N@@H+](CCCc1cccc2ccccc21)CC(=O)[O-] ZINC000263559497 519644939 /nfs/dbraw/zinc/64/49/39/519644939.db2.gz BAXLDYRASUZKLY-UHFFFAOYSA-N 0 1 285.387 3.567 20 0 CHADMN CC(C)CC[C@H](C)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000236622144 519691896 /nfs/dbraw/zinc/69/18/96/519691896.db2.gz DKSBQVPHKIVXIY-NWDGAFQWSA-N 0 1 267.417 3.842 20 0 CHADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1c(Cl)cccc1Cl ZINC000062743291 519711889 /nfs/dbraw/zinc/71/18/89/519711889.db2.gz ZXEGTHPOQHYKOL-UHFFFAOYSA-N 0 1 290.190 3.536 20 0 CHADMN CC(=O)Nc1ccccc1CNCc1coc2ccccc12 ZINC000339409258 519751168 /nfs/dbraw/zinc/75/11/68/519751168.db2.gz YCOHAHFZNHZVPD-UHFFFAOYSA-N 0 1 294.354 3.681 20 0 CHADMN CC(C)Oc1ccc([C@H](C)NCc2ccoc2)cc1 ZINC000062103665 519781785 /nfs/dbraw/zinc/78/17/85/519781785.db2.gz GRMAXFFZJHQOQS-ZDUSSCGKSA-N 0 1 259.349 3.918 20 0 CHADMN CC(C)Sc1cccc(Cl)c1CN1CC[C@@H](CO)C1 ZINC000192621930 519788207 /nfs/dbraw/zinc/78/82/07/519788207.db2.gz MDMIASKZEYNQBC-GFCCVEGCSA-N 0 1 299.867 3.655 20 0 CHADMN CC(C)[C@@H](C)N(C)Cc1csc(-c2ccccn2)n1 ZINC000264929384 519791307 /nfs/dbraw/zinc/79/13/07/519791307.db2.gz MZIYUBVLZWRDFX-GFCCVEGCSA-N 0 1 275.421 3.681 20 0 CHADMN CC(C)[C@@]1(CO)CCCN(Cc2ccsc2Cl)C1 ZINC000354575481 519808879 /nfs/dbraw/zinc/80/88/79/519808879.db2.gz XATBCYZTOCIOEI-AWEZNQCLSA-N 0 1 287.856 3.632 20 0 CHADMN CCC1(CNC(=O)c2cccc3nc(C)[nH]c32)CCCC1 ZINC000338553210 519842152 /nfs/dbraw/zinc/84/21/52/519842152.db2.gz YABRENRWVNHKNH-UHFFFAOYSA-N 0 1 285.391 3.572 20 0 CHADMN CCC1CCC(N(C)C(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC000338504680 519852920 /nfs/dbraw/zinc/85/29/20/519852920.db2.gz GIINBWIMIQABKR-UHFFFAOYSA-N 0 1 299.418 3.912 20 0 CHADMN CCC1CCC([N@@H+](C)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000049024483 519853473 /nfs/dbraw/zinc/85/34/73/519853473.db2.gz ZOFDYOPUZMUDSA-UHFFFAOYSA-N 0 1 275.392 3.785 20 0 CHADMN CC(C)n1cc(CN[C@H]2c3ccccc3CCC[C@@H]2C)nn1 ZINC000290201904 519958568 /nfs/dbraw/zinc/95/85/68/519958568.db2.gz UVGVRHRRMBZSOO-KBXCAEBGSA-N 0 1 298.434 3.662 20 0 CHADMN CCOCCN[C@H](C)c1csc(-c2ccccc2F)n1 ZINC000291289934 519969295 /nfs/dbraw/zinc/96/92/95/519969295.db2.gz RSSVLPCACSQCSX-LLVKDONJSA-N 0 1 294.395 3.636 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@@H]2CCc3c2cccc3F)cn1 ZINC000269066910 519980486 /nfs/dbraw/zinc/98/04/86/519980486.db2.gz ZEFSJKOEBGFGFR-YVEFUNNKSA-N 0 1 287.382 3.941 20 0 CHADMN Fc1ccc(CNCc2ccc(C(F)(F)F)cc2)nc1 ZINC000344899523 534467743 /nfs/dbraw/zinc/46/77/43/534467743.db2.gz FUFXTRQTCWBNQG-UHFFFAOYSA-N 0 1 284.256 3.529 20 0 CHADMN CC(C)n1nccc1CN1CCC[C@@H](Nc2ccccc2)C1 ZINC000280205277 520102016 /nfs/dbraw/zinc/10/20/16/520102016.db2.gz ITSKRPPMQPPVRB-QGZVFWFLSA-N 0 1 298.434 3.541 20 0 CHADMN CC(C)n1nccc1CN1CC[C@@H](c2ccccc2F)C1 ZINC000337197001 520103748 /nfs/dbraw/zinc/10/37/48/520103748.db2.gz WTBFOPNLHSNUTL-CQSZACIVSA-N 0 1 287.382 3.593 20 0 CHADMN CC(C)n1nccc1CN[C@H](C)c1cccc(Cl)c1 ZINC000280042072 520110384 /nfs/dbraw/zinc/11/03/84/520110384.db2.gz VLSUUDOLHKCXMM-GFCCVEGCSA-N 0 1 277.799 3.968 20 0 CHADMN CCOCc1ccccc1CNCc1cc(F)ccc1F ZINC000037762285 520213389 /nfs/dbraw/zinc/21/33/89/520213389.db2.gz DVGSQQMGTRYDTC-UHFFFAOYSA-N 0 1 291.341 3.791 20 0 CHADMN CCCCN(C(=O)c1cccc2[nH]c(C)nc21)[C@@H](C)CC ZINC000338538395 520360348 /nfs/dbraw/zinc/36/03/48/520360348.db2.gz VOCQSKBADNSLOX-LBPRGKRZSA-N 0 1 287.407 3.912 20 0 CHADMN CCCOc1ccc(CN[C@H](C)c2ccccn2)cc1 ZINC000020123837 520374608 /nfs/dbraw/zinc/37/46/08/520374608.db2.gz XKCXZWZSUPIBFS-CQSZACIVSA-N 0 1 270.376 3.721 20 0 CHADMN CCC[C@@H](C)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000337310034 520651560 /nfs/dbraw/zinc/65/15/60/520651560.db2.gz ZSGWXPJLWMZUFX-LLVKDONJSA-N 0 1 260.356 3.854 20 0 CHADMN Fc1ccc2oc(CNCc3ccc4c(c3)COC4)cc2c1 ZINC000344996901 534511354 /nfs/dbraw/zinc/51/13/54/534511354.db2.gz NZWOUPIUJCGREU-UHFFFAOYSA-N 0 1 297.329 3.892 20 0 CHADMN CCOc1cc(CN2CCC(F)(F)[C@H](C)C2)ccc1OC ZINC000291662806 520696083 /nfs/dbraw/zinc/69/60/83/520696083.db2.gz VMWOYUUGZJMPDI-GFCCVEGCSA-N 0 1 299.361 3.571 20 0 CHADMN CCOc1cc(CNCc2ccccc2Cl)ccc1O ZINC000019908173 520724226 /nfs/dbraw/zinc/72/42/26/520724226.db2.gz QAOCHYCRJIDIMS-UHFFFAOYSA-N 0 1 291.778 3.734 20 0 CHADMN CCC[C@@H](NCc1cccnc1OC)c1ccccc1 ZINC000037650507 520783507 /nfs/dbraw/zinc/78/35/07/520783507.db2.gz UUDPKMDUPBZKRR-MRXNPFEDSA-N 0 1 270.376 3.721 20 0 CHADMN CCC[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccsc1 ZINC000276927346 520794196 /nfs/dbraw/zinc/79/41/96/520794196.db2.gz NLXAHMFDNGZSLT-KGLIPLIRSA-N 0 1 275.421 3.980 20 0 CHADMN CC1=CC[C@@H](N[C@@H](c2nccn2C)c2ccc(F)cc2)CC1 ZINC000293495650 520872977 /nfs/dbraw/zinc/87/29/77/520872977.db2.gz BCBLFKZTCVXGSN-IAGOWNOFSA-N 0 1 299.393 3.737 20 0 CHADMN CC1=CC[C@@H](N[C@H](c2nc(C3CC3)no2)C(C)C)CC1 ZINC000293507461 520874328 /nfs/dbraw/zinc/87/43/28/520874328.db2.gz BWVZPUBHBBFUPF-KGLIPLIRSA-N 0 1 275.396 3.733 20 0 CHADMN CCCCOc1ccc(CNCc2c(C)noc2C)cc1 ZINC000063550394 520880954 /nfs/dbraw/zinc/88/09/54/520880954.db2.gz XAMCNAXAZLBWRW-UHFFFAOYSA-N 0 1 288.391 3.760 20 0 CHADMN CC1=C[C@H](C)C[C@@H](CN(C)Cc2nccn2C(F)F)C1 ZINC000290515464 520885009 /nfs/dbraw/zinc/88/50/09/520885009.db2.gz UFPULKGITZPLAI-WCQYABFASA-N 0 1 283.366 3.702 20 0 CHADMN CCC[C@@](C)(CC)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000280287363 520909051 /nfs/dbraw/zinc/90/90/51/520909051.db2.gz WYAVRGUNCVUWNH-MRXNPFEDSA-N 0 1 286.379 3.627 20 0 CHADMN CCOc1ccc(CN(C)[C@@H](C)c2cccnc2)cc1F ZINC000278822024 520963404 /nfs/dbraw/zinc/96/34/04/520963404.db2.gz YCPYDYPWJZVPOG-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN CCOc1ccc(CN(C)[C@@H](C)c2cccnc2)cc1 ZINC000338583192 520964722 /nfs/dbraw/zinc/96/47/22/520964722.db2.gz NTONNVWLQUTSCK-AWEZNQCLSA-N 0 1 270.376 3.673 20 0 CHADMN CCCCS[C@H](C)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000276861023 520974089 /nfs/dbraw/zinc/97/40/89/520974089.db2.gz ZYTVDZACODHOAP-LLVKDONJSA-N 0 1 291.420 3.732 20 0 CHADMN Fc1cnccc1CN[C@@H]1CCc2cc(Cl)ccc21 ZINC000336214464 534539279 /nfs/dbraw/zinc/53/92/79/534539279.db2.gz URZGTWKJLJZDSK-OAHLLOKOSA-N 0 1 276.742 3.651 20 0 CHADMN CCN(CCc1ccccc1)Cc1nc(C)cs1 ZINC000081666083 521164931 /nfs/dbraw/zinc/16/49/31/521164931.db2.gz GWBYVFVCRTWMAS-UHFFFAOYSA-N 0 1 260.406 3.516 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H]2CCCC(F)(F)C2)cs1 ZINC000334885586 534545960 /nfs/dbraw/zinc/54/59/60/534545960.db2.gz HQRDVFRDGRXFMT-PSASIEDQSA-N 0 1 260.353 3.680 20 0 CHADMN CCOc1ccc([C@H](C)NCc2ccco2)cc1OCC ZINC000072726332 521258889 /nfs/dbraw/zinc/25/88/89/521258889.db2.gz UOXBKTJBYDNQDO-ZDUSSCGKSA-N 0 1 289.375 3.928 20 0 CHADMN CCC(C)(C)N(C)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000069447158 521307619 /nfs/dbraw/zinc/30/76/19/521307619.db2.gz CCTDGAGVDYBVTR-UHFFFAOYSA-N 0 1 292.452 3.511 20 0 CHADMN CCN(Cc1cnc(C)nc1)[C@@H](C)c1ccc(F)cc1 ZINC000339323899 521432619 /nfs/dbraw/zinc/43/26/19/521432619.db2.gz MCDKIVFUVANSQH-LBPRGKRZSA-N 0 1 273.355 3.507 20 0 CHADMN CCCc1nc(C)c(CNCc2cc(C)ccc2C)o1 ZINC000291716920 521496412 /nfs/dbraw/zinc/49/64/12/521496412.db2.gz MAGGRGOQBMYOMS-UHFFFAOYSA-N 0 1 272.392 3.842 20 0 CHADMN CCOc1ccccc1CN[C@H]1CCCc2ccc(O)cc21 ZINC000281035092 521504485 /nfs/dbraw/zinc/50/44/85/521504485.db2.gz PNLOYDZCLBKYBX-SFHVURJKSA-N 0 1 297.398 3.958 20 0 CHADMN CCc1ccccc1CNCc1ccc(F)cc1F ZINC000052203242 521838568 /nfs/dbraw/zinc/83/85/68/521838568.db2.gz LONMJYAJRXDJSJ-UHFFFAOYSA-N 0 1 261.315 3.817 20 0 CHADMN COCC[C@@H](NCc1cc(Cl)cs1)c1ccco1 ZINC000278655381 521860347 /nfs/dbraw/zinc/86/03/47/521860347.db2.gz GEHGBYPTJQYAKP-GFCCVEGCSA-N 0 1 285.796 3.862 20 0 CHADMN COc1c(O)cccc1CN[C@H]1CCCc2ccc(C)cc21 ZINC000290129859 521881994 /nfs/dbraw/zinc/88/19/94/521881994.db2.gz JNOOZGHEGVOZNI-KRWDZBQOSA-N 0 1 297.398 3.876 20 0 CHADMN CCc1cnc(CN(C)CCCCC2CCOCC2)s1 ZINC000337133538 522020133 /nfs/dbraw/zinc/02/01/33/522020133.db2.gz AYKYTUYHTNQYMD-UHFFFAOYSA-N 0 1 296.480 3.734 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2ccsc2)n[nH]1 ZINC000277083193 522050758 /nfs/dbraw/zinc/05/07/58/522050758.db2.gz FUVQLPXNTBYHJB-HBNTYKKESA-N 0 1 278.425 3.792 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)Nc2nc3ccccc3o2)n[nH]1 ZINC000277532207 522051347 /nfs/dbraw/zinc/05/13/47/522051347.db2.gz YLTDUGPYRMBIGB-VHSXEESVSA-N 0 1 285.351 3.633 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2cc(F)ccc2C)n[nH]1 ZINC000277058072 522052715 /nfs/dbraw/zinc/05/27/15/522052715.db2.gz BHDAPYZSAXDYBQ-CMPLNLGQSA-N 0 1 290.386 3.617 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@H]2CCCc3occc32)n[nH]1 ZINC000278812713 522053238 /nfs/dbraw/zinc/05/32/38/522053238.db2.gz RZOLHXDVVLTTLT-LOWVWBTDSA-N 0 1 288.395 3.639 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2c3cc(C)ccc3C[C@@H]2C)o1 ZINC000291919705 522208385 /nfs/dbraw/zinc/20/83/85/522208385.db2.gz NRDNEYHFPOEKCC-SGTLLEGYSA-N 0 1 284.403 3.877 20 0 CHADMN CCc1nc(C)c(CN[C@H]2CCc3ccc(C)cc32)o1 ZINC000291912078 522210649 /nfs/dbraw/zinc/21/06/49/522210649.db2.gz MXUHYVVCQVQZHL-HNNXBMFYSA-N 0 1 270.376 3.631 20 0 CHADMN CN(C)c1ccccc1CN[C@H]1CCCc2occc21 ZINC000263848569 522291068 /nfs/dbraw/zinc/29/10/68/522291068.db2.gz MFEUQXPYRKNEJP-HNNXBMFYSA-N 0 1 270.376 3.513 20 0 CHADMN CCc1nc(CN2CC[C@H](CC(C)C)C2)cs1 ZINC000074994017 522319915 /nfs/dbraw/zinc/31/99/15/522319915.db2.gz ZPNJBIUNAJTKDQ-GFCCVEGCSA-N 0 1 252.427 3.574 20 0 CHADMN CC[C@@H](C)[C@H](C)N(C(=O)c1cccc2[nH]c(C)nc21)C1CC1 ZINC000338534778 522352081 /nfs/dbraw/zinc/35/20/81/522352081.db2.gz FXRJGYSLUMZASJ-NEPJUHHUSA-N 0 1 299.418 3.911 20 0 CHADMN COC(=O)c1coc([C@@H](C)NC2(c3ccccc3)CCC2)c1 ZINC000278755781 522377070 /nfs/dbraw/zinc/37/70/70/522377070.db2.gz OEZCPEFZRNFSFR-CYBMUJFWSA-N 0 1 299.370 3.796 20 0 CHADMN COc1cc(CN2CCC[C@@H]2c2cccc(F)c2)ccn1 ZINC000339864333 522378172 /nfs/dbraw/zinc/37/81/72/522378172.db2.gz CVMDXOUNHJZARL-MRXNPFEDSA-N 0 1 286.350 3.566 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1Cc1ncnn1-c1ccccc1 ZINC000337197156 522403988 /nfs/dbraw/zinc/40/39/88/522403988.db2.gz WVAVLPSHRVPQTB-NVXWUHKLSA-N 0 1 298.434 3.668 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2ccc(Cl)cc2)n[nH]1 ZINC000277438256 522441894 /nfs/dbraw/zinc/44/18/94/522441894.db2.gz ODNQNVGNRVAPFV-MNOVXSKESA-N 0 1 292.814 3.822 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2ccc(C)s2)n[nH]1 ZINC000277058245 522442173 /nfs/dbraw/zinc/44/21/73/522442173.db2.gz BKZGKLYUXXDAKI-KOLCDFICSA-N 0 1 278.425 3.539 20 0 CHADMN CCc1nc2c(s1)[C@H](NCc1occc1C)CCC2 ZINC000293780553 522480997 /nfs/dbraw/zinc/48/09/97/522480997.db2.gz TXCVRSPELUYNQZ-LLVKDONJSA-N 0 1 276.405 3.774 20 0 CHADMN CC[C@H](NCc1cnc(C)nc1)c1cccc(Cl)c1 ZINC000339282037 522662192 /nfs/dbraw/zinc/66/21/92/522662192.db2.gz LWUCDWBUIPNHLQ-HNNXBMFYSA-N 0 1 275.783 3.679 20 0 CHADMN CC[C@H](NCc1cnccc1OC)c1ccc(C)cc1 ZINC000287555078 522666711 /nfs/dbraw/zinc/66/67/11/522666711.db2.gz AVLMONZUHCUROC-INIZCTEOSA-N 0 1 270.376 3.640 20 0 CHADMN CC[C@H](N[C@@H](c1ccccn1)c1ccccc1OC)C1CC1 ZINC000271492799 522710466 /nfs/dbraw/zinc/71/04/66/522710466.db2.gz LCJFIPQXBBIGMA-QFBILLFUSA-N 0 1 296.414 3.958 20 0 CHADMN COC[C@H](NCc1ccsc1)c1ccc(Cl)cc1 ZINC000193276474 522754679 /nfs/dbraw/zinc/75/46/79/522754679.db2.gz QLVVNTBEFMFFGI-AWEZNQCLSA-N 0 1 281.808 3.879 20 0 CHADMN CC[C@@H](NC(=O)c1[nH]nc(C)c1C)c1cccc(Cl)c1 ZINC000265211290 522801963 /nfs/dbraw/zinc/80/19/63/522801963.db2.gz LEORNNPFDOUXBD-CYBMUJFWSA-N 0 1 291.782 3.561 20 0 CHADMN CC[C@@H](NC1CC(F)(F)C1)c1cc(F)ccc1F ZINC000277221423 522809027 /nfs/dbraw/zinc/80/90/27/522809027.db2.gz XUBYWBYTCRVNHZ-GFCCVEGCSA-N 0 1 261.262 3.803 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H](C)c3ccccc3)cc2[nH]1 ZINC000344255715 534664365 /nfs/dbraw/zinc/66/43/65/534664365.db2.gz ITPOHWNBBWTUDA-NSHDSACASA-N 0 1 279.343 3.614 20 0 CHADMN CC[C@@H](NCc1ccsc1C)c1c(C)noc1C ZINC000339325521 522887002 /nfs/dbraw/zinc/88/70/02/522887002.db2.gz MPEGMJNYUVMLDS-CYBMUJFWSA-N 0 1 264.394 3.902 20 0 CHADMN CC[C@@H](NCc1n[nH]cc1C)c1cccc(Cl)c1 ZINC000290002736 522891769 /nfs/dbraw/zinc/89/17/69/522891769.db2.gz TXQRQXBBMADJDO-CYBMUJFWSA-N 0 1 263.772 3.612 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccccn1)c1ccc2c(c1)CCO2 ZINC000037219010 522914888 /nfs/dbraw/zinc/91/48/88/522914888.db2.gz PQBAMYZCVCSIJR-XJKSGUPXSA-N 0 1 282.387 3.818 20 0 CHADMN COCc1ccc(CNCc2cccc(CSC)c2)o1 ZINC000275422380 522987728 /nfs/dbraw/zinc/98/77/28/522987728.db2.gz ACZORESPROUKAU-UHFFFAOYSA-N 0 1 291.416 3.579 20 0 CHADMN COc1cc2c(cc1F)CC[C@H]2NCc1ccc(C)o1 ZINC000337847676 523014149 /nfs/dbraw/zinc/01/41/49/523014149.db2.gz IFXHTITVGDCUAX-OAHLLOKOSA-N 0 1 275.323 3.513 20 0 CHADMN CC[C@H]1CCCC[C@@H]1C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000280107174 523035221 /nfs/dbraw/zinc/03/52/21/523035221.db2.gz ANEDTTXMGBNLJK-UWVGGRQHSA-N 0 1 285.338 3.811 20 0 CHADMN CC[C@H]1CCCN([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000117342907 523093613 /nfs/dbraw/zinc/09/36/13/523093613.db2.gz NTZYTMMFLSTZOO-RYUDHWBXSA-N 0 1 263.385 3.520 20 0 CHADMN CC[C@H]1CCCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000253543396 523094255 /nfs/dbraw/zinc/09/42/55/523094255.db2.gz WMKPTRXYJUIJSZ-KGLIPLIRSA-N 0 1 299.418 3.909 20 0 CHADMN CC[C@@H](c1nc([C@@H](N)CC(C)C)no1)c1ccccc1 ZINC000339389749 523127555 /nfs/dbraw/zinc/12/75/55/523127555.db2.gz SYXSLGNJFGNGKW-KGLIPLIRSA-N 0 1 273.380 3.657 20 0 CHADMN CC[C@@H]1CCCN1Cc1coc(-c2cccs2)n1 ZINC000340678845 523269176 /nfs/dbraw/zinc/26/91/76/523269176.db2.gz FZFSLGUQTMWXQG-GFCCVEGCSA-N 0 1 262.378 3.778 20 0 CHADMN CN(Cc1ccc(OC(F)F)cc1)Cc1cccc(O)c1 ZINC000080919589 523274184 /nfs/dbraw/zinc/27/41/84/523274184.db2.gz UGYLKGBSTKGVSF-UHFFFAOYSA-N 0 1 293.313 3.626 20 0 CHADMN Cc1cccc(CN(C)C/C=C\c2ccccc2)n1 ZINC000353747666 534701212 /nfs/dbraw/zinc/70/12/12/534701212.db2.gz FXCSKFUUYINGHI-XFFZJAGNSA-N 0 1 252.361 3.535 20 0 CHADMN CCn1cc(CNCc2ccc(OC3CCCC3)cc2)cn1 ZINC000264927804 523383893 /nfs/dbraw/zinc/38/38/93/523383893.db2.gz ODAMKVYFZWDNIU-UHFFFAOYSA-N 0 1 299.418 3.514 20 0 CHADMN CCn1cc([C@@H](C)NCc2ccc(C(F)(F)F)cc2)cn1 ZINC000061626471 523455588 /nfs/dbraw/zinc/45/55/88/523455588.db2.gz VJRIGLQFGPTGDD-LLVKDONJSA-N 0 1 297.324 3.773 20 0 CHADMN Cc1cccc(CN2CCSC[C@H]2c2ccccc2)n1 ZINC000347351413 534711758 /nfs/dbraw/zinc/71/17/58/534711758.db2.gz BHFMIKFFNOXNHJ-KRWDZBQOSA-N 0 1 284.428 3.680 20 0 CHADMN CN(Cc1ncnn1-c1ccccc1)C1CCC(C)(C)CC1 ZINC000337190056 523604484 /nfs/dbraw/zinc/60/44/84/523604484.db2.gz RLWKWXXANSAWKZ-UHFFFAOYSA-N 0 1 298.434 3.668 20 0 CHADMN CC[C@@](C)(NC[C@H](OC)c1ccccc1)c1nccs1 ZINC000284486772 523657842 /nfs/dbraw/zinc/65/78/42/523657842.db2.gz UDLYKNKQSJVVGK-GOEBONIOSA-N 0 1 290.432 3.746 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000075998285 523708502 /nfs/dbraw/zinc/70/85/02/523708502.db2.gz VMQNTXDYFWRONF-KRWDZBQOSA-N 0 1 285.391 3.749 20 0 CHADMN COCCN(Cc1cnc(C)s1)[C@@H](C)c1ccccc1 ZINC000299378806 523770701 /nfs/dbraw/zinc/77/07/01/523770701.db2.gz GQGMHNGZFJLKIT-ZDUSSCGKSA-N 0 1 290.432 3.661 20 0 CHADMN CCc1cc(NC(=O)c2cccc3nc(C)[nH]c32)ccc1F ZINC000340748536 523818139 /nfs/dbraw/zinc/81/81/39/523818139.db2.gz HYSQVARHDVOLSH-UHFFFAOYSA-N 0 1 297.333 3.825 20 0 CHADMN CO[C@H](C)[C@H](C)NCc1cc(Cl)sc1Cl ZINC000308921088 523898715 /nfs/dbraw/zinc/89/87/15/523898715.db2.gz HBFHEFBQUMSLMT-NKWVEPMBSA-N 0 1 268.209 3.568 20 0 CHADMN CCc1ccc(CN2CCC(OCCC(C)C)CC2)nc1 ZINC000338910447 523923960 /nfs/dbraw/zinc/92/39/60/523923960.db2.gz CHTJDLLSLLBZQY-UHFFFAOYSA-N 0 1 290.451 3.671 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2cccc(OC)c2)o1 ZINC000051724334 523944596 /nfs/dbraw/zinc/94/45/96/523944596.db2.gz PMKULQOWZOESGD-LBPRGKRZSA-N 0 1 259.349 3.701 20 0 CHADMN CCc1ccc(CN[C@@H](C)[C@H]2OCCc3sccc32)o1 ZINC000291654610 523944873 /nfs/dbraw/zinc/94/48/73/523944873.db2.gz DDIVWZQIQGQMRG-MEDUHNTESA-N 0 1 291.416 3.696 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2ccc(F)cc2)cc1O ZINC000080975742 524009520 /nfs/dbraw/zinc/00/95/20/524009520.db2.gz IOPYKUBPEHJWAZ-LBPRGKRZSA-N 0 1 289.350 3.733 20 0 CHADMN CCc1ccc([C@@H](C)c2nc([C@H](N)CC(C)C)no2)cc1 ZINC000339388956 524028683 /nfs/dbraw/zinc/02/86/83/524028683.db2.gz MDUVONMTERZKHY-IUODEOHRSA-N 0 1 287.407 3.830 20 0 CHADMN CCc1ccc([C@H]2CCN(Cc3nnc(C(C)C)o3)C2)cc1 ZINC000293310072 524055838 /nfs/dbraw/zinc/05/58/38/524055838.db2.gz LIHZQQKWBHPYTM-INIZCTEOSA-N 0 1 299.418 3.745 20 0 CHADMN CCc1cccc(CN[C@H](CCOC)c2ccco2)c1 ZINC000276257123 524069969 /nfs/dbraw/zinc/06/99/69/524069969.db2.gz QOTTXFIMOFMAAG-MRXNPFEDSA-N 0 1 273.376 3.709 20 0 CHADMN COc1ccc(CNCc2cc(C)cc(Cl)c2)cc1O ZINC000339220511 524072282 /nfs/dbraw/zinc/07/22/82/524072282.db2.gz XLIAQLIATIDVGZ-UHFFFAOYSA-N 0 1 291.778 3.652 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(F)c(F)c2)cc1O ZINC000034992866 524074322 /nfs/dbraw/zinc/07/43/22/524074322.db2.gz HJYDDAMAXCJPGX-JTQLQIEISA-N 0 1 293.313 3.530 20 0 CHADMN Cc1ccc(C)c(NC(=O)c2cn[nH]c2C(C)(C)C)c1 ZINC000292743649 524156880 /nfs/dbraw/zinc/15/68/80/524156880.db2.gz QXCPDPNFDUPCMD-UHFFFAOYSA-N 0 1 271.364 3.576 20 0 CHADMN C[C@@H]1CCCN1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000353611263 524261316 /nfs/dbraw/zinc/26/13/16/524261316.db2.gz BNIUJFINQMYXCY-SECBINFHSA-N 0 1 261.262 3.829 20 0 CHADMN Cc1cccc(C)c1CSc1nc(C2CC2)n[nH]1 ZINC000265550620 524264182 /nfs/dbraw/zinc/26/41/82/524264182.db2.gz GSSOWMODQPSREE-UHFFFAOYSA-N 0 1 259.378 3.591 20 0 CHADMN Cc1cccc(C)c1CSc1n[nH]c(C2CC2)n1 ZINC000265550620 524264188 /nfs/dbraw/zinc/26/41/88/524264188.db2.gz GSSOWMODQPSREE-UHFFFAOYSA-N 0 1 259.378 3.591 20 0 CHADMN COc1ccccc1/C=C/CN1CCC[C@@H]1c1ccc[nH]1 ZINC000127479330 524317141 /nfs/dbraw/zinc/31/71/41/524317141.db2.gz ZNTLKMQLBULIHJ-ZGRWHYIRSA-N 0 1 282.387 3.874 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)N[C@H](C)c1cccnc1 ZINC000037089910 524331093 /nfs/dbraw/zinc/33/10/93/524331093.db2.gz SECXYQGBASDSCG-VXGBXAGGSA-N 0 1 274.339 3.641 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2cnc([C@@H](C)O)s2)c1 ZINC000290473965 524461135 /nfs/dbraw/zinc/46/11/35/524461135.db2.gz UXPPDFAAERQXLE-CHWSQXEVSA-N 0 1 290.432 3.664 20 0 CHADMN COc1ccccc1CNC(C)(C)c1cccc(F)c1 ZINC000076902077 524486437 /nfs/dbraw/zinc/48/64/37/524486437.db2.gz OBYFDTXJTMEPLY-UHFFFAOYSA-N 0 1 273.351 3.859 20 0 CHADMN C[C@@H]1CCN(Cc2sccc2Cl)CCS1 ZINC000338543677 524519350 /nfs/dbraw/zinc/51/93/50/524519350.db2.gz RAOKYNAFDWFIBR-SECBINFHSA-N 0 1 261.843 3.729 20 0 CHADMN Cc1ccc(CNC2(c3cccc(Cl)c3)CC2)cn1 ZINC000156028293 524570362 /nfs/dbraw/zinc/57/03/62/524570362.db2.gz KTMJXFLHEMNYNF-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN Cc1ccc(CNCc2ccc(C(C)(F)F)cc2)nc1 ZINC000339419666 524583254 /nfs/dbraw/zinc/58/32/54/524583254.db2.gz MRQPQBVVBJSRCG-UHFFFAOYSA-N 0 1 276.330 3.792 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2nc3ccccc3n2C)s1 ZINC000050225137 524593134 /nfs/dbraw/zinc/59/31/34/524593134.db2.gz CRKFAYMWEUHEAD-LBPRGKRZSA-N 0 1 285.416 3.794 20 0 CHADMN C[C@H]1CN(Cc2cnc(-c3ccccc3)[nH]2)CCC1(F)F ZINC000291587288 524607730 /nfs/dbraw/zinc/60/77/30/524607730.db2.gz PMENRNMDZRXHPZ-LBPRGKRZSA-N 0 1 291.345 3.554 20 0 CHADMN Cc1cccc(NC(=O)[C@H](C)N2CCC3(CC3)CC2)c1C ZINC000364631327 524652856 /nfs/dbraw/zinc/65/28/56/524652856.db2.gz OCEURJBOVGAASQ-HNNXBMFYSA-N 0 1 286.419 3.506 20 0 CHADMN Cc1cc(CN([C@@H](C)c2ccccc2)C2CC2)ncn1 ZINC000292551853 524671036 /nfs/dbraw/zinc/67/10/36/524671036.db2.gz QZOIKJILNLRWAZ-AWEZNQCLSA-N 0 1 267.376 3.511 20 0 CHADMN Cc1cc(CN[C@@H]2CCC(C)(C)c3ccccc32)on1 ZINC000044985286 524769333 /nfs/dbraw/zinc/76/93/33/524769333.db2.gz SHKRCLDFICPLCO-MRXNPFEDSA-N 0 1 270.376 3.885 20 0 CHADMN Cc1cc(CN[C@H](C)c2cncs2)ccc1Cl ZINC000273447975 524777226 /nfs/dbraw/zinc/77/72/26/524777226.db2.gz OAZYGRXBOGDSDB-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1ccc(F)c(N[C@@H](c2cccs2)c2nnc[nH]2)c1 ZINC000340345043 524827578 /nfs/dbraw/zinc/82/75/78/524827578.db2.gz GLVWIYQCMSCGDT-ZDUSSCGKSA-N 0 1 288.351 3.515 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2F)N(Cc2cncs2)C1 ZINC000093531616 524831739 /nfs/dbraw/zinc/83/17/39/524831739.db2.gz NDHXMGPROKXNDY-NHYWBVRUSA-N 0 1 276.380 3.865 20 0 CHADMN Cc1cccc([C@@H](C)c2nc([C@H](N)CC(C)C)no2)c1 ZINC000339368621 524834224 /nfs/dbraw/zinc/83/42/24/524834224.db2.gz WZAJLTMNBURLQT-TZMCWYRMSA-N 0 1 273.380 3.576 20 0 CHADMN Cc1ccc(F)cc1CNCc1ccc2c(n1)CCCC2 ZINC000277656357 524852111 /nfs/dbraw/zinc/85/21/11/524852111.db2.gz GCJSUBRZIYCKFM-UHFFFAOYSA-N 0 1 284.378 3.698 20 0 CHADMN Cc1cccc([C@H](C)NCc2cnc([C@H](C)O)s2)c1C ZINC000290314107 524875064 /nfs/dbraw/zinc/87/50/64/524875064.db2.gz IXWKYLWLTYGUBJ-STQMWFEESA-N 0 1 290.432 3.664 20 0 CHADMN C[C@@H](N)c1nc(-c2ccc(C(F)(F)F)cc2)cs1 ZINC000041162249 525032668 /nfs/dbraw/zinc/03/26/68/525032668.db2.gz QCKWGPHGEZFRPI-SSDOTTSWSA-N 0 1 272.295 3.849 20 0 CHADMN Cc1ccccc1/C=C\c1nc([C@H](N)CC(C)C)no1 ZINC000339394906 525039472 /nfs/dbraw/zinc/03/94/72/525039472.db2.gz QXTJVCSSUHEKIC-QIAWRQBBSA-N 0 1 271.364 3.594 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2ccc(F)nc2C)cc1 ZINC000278388505 525129388 /nfs/dbraw/zinc/12/93/88/525129388.db2.gz DKGMWQQMKMZDTH-CYBMUJFWSA-N 0 1 288.366 3.731 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cncs2)cc1 ZINC000130049741 525162465 /nfs/dbraw/zinc/16/24/65/525162465.db2.gz DWIHQVIWTHWLTQ-GHMZBOCLSA-N 0 1 262.378 3.564 20 0 CHADMN Cc1ccc(NC(=O)c2ccc3cncn3c2)c(Cl)c1 ZINC000339890513 525242433 /nfs/dbraw/zinc/24/24/33/525242433.db2.gz DUHGOLDUMHYCIF-UHFFFAOYSA-N 0 1 285.734 3.548 20 0 CHADMN C[C@H](NC1(c2ccccc2)CCC1)c1ccncc1F ZINC000340322817 525286028 /nfs/dbraw/zinc/28/60/28/525286028.db2.gz DSETYUTYOSXQRP-ZDUSSCGKSA-N 0 1 270.351 3.951 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@@H](C)c1nccnc1C ZINC000187685179 525361369 /nfs/dbraw/zinc/36/13/69/525361369.db2.gz WVHYJZKQPIQFHA-OCCSQVGLSA-N 0 1 255.365 3.505 20 0 CHADMN C[C@H](NCCSc1ccccc1)c1nccs1 ZINC000086510134 525362363 /nfs/dbraw/zinc/36/23/63/525362363.db2.gz RXCRHSPFFMBYSR-NSHDSACASA-N 0 1 264.419 3.586 20 0 CHADMN Cc1ccc(OC2CCN([C@@H](C)c3cccnc3)CC2)cc1 ZINC000265310193 525377057 /nfs/dbraw/zinc/37/70/57/525377057.db2.gz FAUXKPXPSCEGLA-INIZCTEOSA-N 0 1 296.414 3.994 20 0 CHADMN C[C@H](NC[C@@H]1CCC=CO1)c1nc(C(F)(F)F)cs1 ZINC000275622497 525387202 /nfs/dbraw/zinc/38/72/02/525387202.db2.gz AGFXFEKQBYBSRG-IUCAKERBSA-N 0 1 292.326 3.505 20 0 CHADMN Cc1[nH]c(SCCCCCO)nc1Cc1ccccc1 ZINC000299536041 525412290 /nfs/dbraw/zinc/41/22/90/525412290.db2.gz PICYGPVJNAAUND-UHFFFAOYSA-N 0 1 290.432 3.564 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@@H](C)c1nccnc1C ZINC000187685203 525417122 /nfs/dbraw/zinc/41/71/22/525417122.db2.gz WVHYJZKQPIQFHA-JSGCOSHPSA-N 0 1 255.365 3.505 20 0 CHADMN C[C@H](NCc1ccc(F)cc1F)c1ccsc1 ZINC000051016644 525446745 /nfs/dbraw/zinc/44/67/45/525446745.db2.gz GBWLGXMDGJZNRB-VIFPVBQESA-N 0 1 253.317 3.877 20 0 CHADMN C[C@H](NCc1ccc(OC(F)F)cc1)c1ccco1 ZINC000020145339 525448019 /nfs/dbraw/zinc/44/80/19/525448019.db2.gz ZNLODIGOLBSPSF-JTQLQIEISA-N 0 1 267.275 3.732 20 0 CHADMN C[C@@H](NCCc1ccc(Cl)s1)c1cscn1 ZINC000127834116 525461149 /nfs/dbraw/zinc/46/11/49/525461149.db2.gz JPZOHDMUKWZRJU-MRVPVSSYSA-N 0 1 272.826 3.751 20 0 CHADMN Cc1cc([C@@H](C)NCCCn2ccc3ccccc32)no1 ZINC000289693929 525463028 /nfs/dbraw/zinc/46/30/28/525463028.db2.gz KCXRMMQMAYLTEJ-CQSZACIVSA-N 0 1 283.375 3.679 20 0 CHADMN Cc1cc([C@H](C)NC[C@H](C)Oc2cccc(Cl)c2)no1 ZINC000290567735 525520847 /nfs/dbraw/zinc/52/08/47/525520847.db2.gz DZSRGBVEDJZUTD-RYUDHWBXSA-N 0 1 294.782 3.755 20 0 CHADMN Cc1cccnc1CNCc1ccc(C(F)(F)F)cc1 ZINC000071339224 525525851 /nfs/dbraw/zinc/52/58/51/525525851.db2.gz COXXJFGNNIHCBD-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1cc(-c2ccco2)on1 ZINC000126394609 525527541 /nfs/dbraw/zinc/52/75/41/525527541.db2.gz BUJYVBRINNYFBG-LLVKDONJSA-N 0 1 280.393 3.508 20 0 CHADMN Cc1cc2c(cc1C)[C@@H](N[C@@H](C)c1cn[nH]c1)CCS2 ZINC000275275708 525600888 /nfs/dbraw/zinc/60/08/88/525600888.db2.gz CPBUVMYTAKKCRQ-WFASDCNBSA-N 0 1 287.432 3.914 20 0 CHADMN Cc1ccn2c(CNCc3coc4ccccc34)cnc2c1 ZINC000339407794 525609459 /nfs/dbraw/zinc/60/94/59/525609459.db2.gz NVQJNLYFDRMXPU-UHFFFAOYSA-N 0 1 291.354 3.679 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1csc(Cl)c1 ZINC000276384889 525621933 /nfs/dbraw/zinc/62/19/33/525621933.db2.gz QPLJUWLMZMNWFS-BDAKNGLRSA-N 0 1 269.801 3.547 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1ccccn1 ZINC000037118489 525628730 /nfs/dbraw/zinc/62/87/30/525628730.db2.gz FBRUIOCRGQBTTO-OAHLLOKOSA-N 0 1 270.376 3.786 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C)C2CCC(C)CC2)c1 ZINC000338642632 525630094 /nfs/dbraw/zinc/63/00/94/525630094.db2.gz ZOEUWDSIIOWCDZ-UHFFFAOYSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C)[C@H]2CCC[C@H](C)C2)c1 ZINC000338676814 525630347 /nfs/dbraw/zinc/63/03/47/525630347.db2.gz KREAPZKHISWFEI-FZMZJTMJSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C)[C@@H]2CCCC[C@H]2C)c1 ZINC000338675713 525631571 /nfs/dbraw/zinc/63/15/71/525631571.db2.gz MFGHACLQZKCPEP-IUODEOHRSA-N 0 1 285.391 3.522 20 0 CHADMN C[C@@H](N[C@H]1CCCSC1)c1nc(C(F)(F)F)cs1 ZINC000274601748 525679944 /nfs/dbraw/zinc/67/99/44/525679944.db2.gz LQDLLERXVQZHLH-SFYZADRCSA-N 0 1 296.383 3.708 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc3c2OCO3)s1 ZINC000040667049 525734409 /nfs/dbraw/zinc/73/44/09/525734409.db2.gz HDFCSMUDXHCCTK-LLVKDONJSA-N 0 1 275.373 3.636 20 0 CHADMN Cc1ccncc1CN(Cc1cccs1)C1CC1 ZINC000353362853 525739821 /nfs/dbraw/zinc/73/98/21/525739821.db2.gz IQTARRUMEWALDX-UHFFFAOYSA-N 0 1 258.390 3.616 20 0 CHADMN Cc1ccncc1CN[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000279807885 525750599 /nfs/dbraw/zinc/75/05/99/525750599.db2.gz FLFOKVCSHABHCV-QGZVFWFLSA-N 0 1 294.402 3.753 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)c1ccc2cncn2c1 ZINC000339886295 525777131 /nfs/dbraw/zinc/77/71/31/525777131.db2.gz DBVRXUUJEIAXGF-UHFFFAOYSA-N 0 1 285.734 3.548 20 0 CHADMN Cc1nc(C)c(CNC2(c3ccc(F)cc3)CC2)s1 ZINC000344274192 534883513 /nfs/dbraw/zinc/88/35/13/534883513.db2.gz MOYNESKBIZFSSU-UHFFFAOYSA-N 0 1 276.380 3.678 20 0 CHADMN Cc1ccoc1CN[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000266180596 525804635 /nfs/dbraw/zinc/80/46/35/525804635.db2.gz FWZVEEFPEHVVFQ-AWEZNQCLSA-N 0 1 298.386 3.566 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cc(C)ncn2)c(C)c1 ZINC000292168074 525885162 /nfs/dbraw/zinc/88/51/62/525885162.db2.gz LKRRESWJPAXCBK-HNNXBMFYSA-N 0 1 269.392 3.595 20 0 CHADMN Cc1ccc([C@H](C)NCc2cn3ccsc3n2)s1 ZINC000211869544 525930426 /nfs/dbraw/zinc/93/04/26/525930426.db2.gz WDHAARDXIGJCRJ-JTQLQIEISA-N 0 1 277.418 3.617 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc3c(c2)OCO3)o1 ZINC000036960341 525934317 /nfs/dbraw/zinc/93/43/17/525934317.db2.gz NSPOISJUCWSAJN-RYUDHWBXSA-N 0 1 273.332 3.729 20 0 CHADMN CSc1cc(C)ccc1CN[C@@H](C)c1cccnc1 ZINC000151721705 525940113 /nfs/dbraw/zinc/94/01/13/525940113.db2.gz HITKNPUPNRYQPO-ZDUSSCGKSA-N 0 1 272.417 3.963 20 0 CHADMN CSc1cc(CN[C@@H](C)c2sc(C)nc2C)ccn1 ZINC000357871273 525943389 /nfs/dbraw/zinc/94/33/89/525943389.db2.gz OADFEYHPRQUTHI-VIFPVBQESA-N 0 1 293.461 3.728 20 0 CHADMN Cc1ccc([C@H](N[C@@H](C)c2ncc[nH]2)C2CC2)cc1 ZINC000139044624 525971516 /nfs/dbraw/zinc/97/15/16/525971516.db2.gz BGWIGFDISWPSLK-WFASDCNBSA-N 0 1 255.365 3.520 20 0 CHADMN C[C@@H](Sc1nc(-c2ccccn2)n[nH]1)c1ccccc1 ZINC000117115990 526001461 /nfs/dbraw/zinc/00/14/61/526001461.db2.gz DDDQVWQKBTUAIR-LLVKDONJSA-N 0 1 282.372 3.720 20 0 CHADMN COc1cccc(CNCc2cccc(Cl)c2)c1OC ZINC000048241773 526027001 /nfs/dbraw/zinc/02/70/01/526027001.db2.gz ZYSQOQLYHPQEJV-UHFFFAOYSA-N 0 1 291.778 3.647 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)N(Cc3cn(C(C)C)nn3)C2)cc1 ZINC000289916571 526035029 /nfs/dbraw/zinc/03/50/29/526035029.db2.gz YFLCXCBLVZOAGN-WBVHZDCISA-N 0 1 298.434 3.545 20 0 CHADMN Cc1cn[nH]c1CNc1ccccc1O[C@@H](C)C(F)(F)F ZINC000289697689 526037782 /nfs/dbraw/zinc/03/77/82/526037782.db2.gz DIMXJBMKSAEIAL-JTQLQIEISA-N 0 1 299.296 3.660 20 0 CHADMN Cc1cn[nH]c1CNc1cccc(N2CCCCCC2)c1 ZINC000289401940 526038030 /nfs/dbraw/zinc/03/80/30/526038030.db2.gz AJQOGSPUIKLZSI-UHFFFAOYSA-N 0 1 284.407 3.711 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N1CCC2(CC1)OCCCO2 ZINC000293210670 526045192 /nfs/dbraw/zinc/04/51/92/526045192.db2.gz YFJVJZMIOGYJKI-ZDUSSCGKSA-N 0 1 295.810 3.630 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)N1CC[C@@H](n2cccn2)C1 ZINC000291906907 526047472 /nfs/dbraw/zinc/04/74/72/526047472.db2.gz RNBYMUMNKXQADB-WCQYABFASA-N 0 1 293.773 3.684 20 0 CHADMN C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cccs1 ZINC000093889040 526068448 /nfs/dbraw/zinc/06/84/48/526068448.db2.gz PHEJKRWSQRTORT-CWTRNNRKSA-N 0 1 293.457 3.679 20 0 CHADMN C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCCC(=O)[O-] ZINC000083662786 526074266 /nfs/dbraw/zinc/07/42/66/526074266.db2.gz BRWGUFLIHSOPDD-SNVBAGLBSA-N 0 1 289.297 3.563 20 0 CHADMN C[C@H](c1cccc(O)c1)N(C)Cc1ccc(F)c(F)c1 ZINC000111240047 526082219 /nfs/dbraw/zinc/08/22/19/526082219.db2.gz BDRQQTMVTXXMAE-LLVKDONJSA-N 0 1 277.314 3.863 20 0 CHADMN C[C@H](C(=O)NO[C@H]1CCCCO1)c1ccc2ccccc2c1 ZINC000084591073 526094011 /nfs/dbraw/zinc/09/40/11/526094011.db2.gz NABIBRVSIBDHDF-GUYCJALGSA-N 0 1 299.370 3.518 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262129842 526114003 /nfs/dbraw/zinc/11/40/03/526114003.db2.gz KOBJLIHFBMFYGZ-BFQNTYOBSA-N 0 1 293.794 3.588 20 0 CHADMN C[C@H](c1cccnc1)N(C)Cc1ccc(OC(F)F)cc1 ZINC000079876292 526131907 /nfs/dbraw/zinc/13/19/07/526131907.db2.gz QYTSFXWITHHOMI-GFCCVEGCSA-N 0 1 292.329 3.876 20 0 CHADMN CSc1ccccc1CN[C@@H](C)c1cccc(O)c1 ZINC000358069390 526162104 /nfs/dbraw/zinc/16/21/04/526162104.db2.gz YHBLJTAECVZCIF-LBPRGKRZSA-N 0 1 273.401 3.965 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@@H](CC2CC2)C1 ZINC000339685785 526175538 /nfs/dbraw/zinc/17/55/38/526175538.db2.gz HKAWMCKQKIPXQX-OCCSQVGLSA-N 0 1 297.402 3.518 20 0 CHADMN C[C@H](c1ncc(-c2ccccc2)o1)N1C[C@@H](C)[C@@H]1C ZINC000292910561 526182676 /nfs/dbraw/zinc/18/26/76/526182676.db2.gz FJORNSVFGOMUFX-FRRDWIJNSA-N 0 1 256.349 3.743 20 0 CHADMN C[C@@H](c1noc(-c2ccc(O)c(Cl)c2)n1)C1CC1 ZINC000278214976 526191012 /nfs/dbraw/zinc/19/10/12/526191012.db2.gz WMWJQIFHGRPWAD-SSDOTTSWSA-N 0 1 264.712 3.609 20 0 CHADMN Cc1ccc(C(C)(C)CN(C)Cc2ncc(C)cn2)cc1 ZINC000340836871 526244931 /nfs/dbraw/zinc/24/49/31/526244931.db2.gz DKWSAOZGLWCHRJ-UHFFFAOYSA-N 0 1 283.419 3.503 20 0 CHADMN C[C@H](CC(=O)Nc1cccc(Cl)c1O)c1cccnc1 ZINC000340320541 526248959 /nfs/dbraw/zinc/24/89/59/526248959.db2.gz VERGJFSJWKCHOD-SNVBAGLBSA-N 0 1 290.750 3.573 20 0 CHADMN Cc1ccc2nc(CNCc3cccc(C)c3C)cn2c1 ZINC000264541242 526249424 /nfs/dbraw/zinc/24/94/24/526249424.db2.gz PYIKFERRCMMZPD-UHFFFAOYSA-N 0 1 279.387 3.549 20 0 CHADMN F[C@@H]1CCC[C@@H]1N[C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000340525036 526288407 /nfs/dbraw/zinc/28/84/07/526288407.db2.gz DLQHLPSEDLQKMK-ZACQAIPSSA-N 0 1 289.394 3.869 20 0 CHADMN Fc1ccc(C2CCN(Cc3ccc(F)cn3)CC2)cc1 ZINC000364944568 526328534 /nfs/dbraw/zinc/32/85/34/526328534.db2.gz DAKQZDBXNVBXFL-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1csc(CNC(C)(C)c2cccc(C)c2)n1 ZINC000130452609 526356285 /nfs/dbraw/zinc/35/62/85/526356285.db2.gz FPQFWUFLVSQMMJ-UHFFFAOYSA-N 0 1 260.406 3.785 20 0 CHADMN Fc1ccc([C@H](C[C@H]2CCOC2)NCc2ccoc2)cc1 ZINC000292253482 526365243 /nfs/dbraw/zinc/36/52/43/526365243.db2.gz SICVTJGYYAUOES-DYVFJYSZSA-N 0 1 289.350 3.676 20 0 CHADMN Oc1cccc2c1CC[C@H]2NCc1cc(Cl)cs1 ZINC000278517484 526368351 /nfs/dbraw/zinc/36/83/51/526368351.db2.gz POOAKDDVORODTE-CYBMUJFWSA-N 0 1 279.792 3.884 20 0 CHADMN Oc1ccccc1-c1n[nH]c(SC2CCCCC2)n1 ZINC000277964419 526368512 /nfs/dbraw/zinc/36/85/12/526368512.db2.gz KXWNQLSNLYUGEF-UHFFFAOYSA-N 0 1 275.377 3.602 20 0 CHADMN Oc1cccc2c1CC[C@H]2N[C@@H]1CCCc2occc21 ZINC000036852579 526368848 /nfs/dbraw/zinc/36/88/48/526368848.db2.gz WSDKBFJIRAODAT-HUUCEWRRSA-N 0 1 269.344 3.640 20 0 CHADMN Cc1nnc([C@@H](C)NCCSC2CCCCC2)s1 ZINC000337326743 526396437 /nfs/dbraw/zinc/39/64/37/526396437.db2.gz WNAPFUCQIJMTTE-SNVBAGLBSA-N 0 1 285.482 3.563 20 0 CHADMN Fc1ccccc1CCN(Cc1cocn1)C1CCCC1 ZINC000277982571 526407941 /nfs/dbraw/zinc/40/79/41/526407941.db2.gz KJDFXPKGWOPOCQ-UHFFFAOYSA-N 0 1 288.366 3.801 20 0 CHADMN c1c[nH]c([C@@H]2CCCN2Cc2cccc3c2OCCCO3)c1 ZINC000127439248 526408603 /nfs/dbraw/zinc/40/86/03/526408603.db2.gz JIBSEYMSBFDZHY-INIZCTEOSA-N 0 1 298.386 3.513 20 0 CHADMN c1c[nH]c([C@H](NCC2CCCCCCC2)c2cccnc2)n1 ZINC000194992303 526409861 /nfs/dbraw/zinc/40/98/61/526409861.db2.gz BDLIAVAPLISDKD-QGZVFWFLSA-N 0 1 298.434 3.844 20 0 CHADMN Fc1ccccc1CN1CC[C@H](CC(F)(F)F)C1 ZINC000278966322 526411722 /nfs/dbraw/zinc/41/17/22/526411722.db2.gz ZXVFPFISVDJNIY-SNVBAGLBSA-N 0 1 261.262 3.600 20 0 CHADMN c1cc(CN[C@@H](CC2CCCC2)c2ccccc2)n[nH]1 ZINC000128906969 526428552 /nfs/dbraw/zinc/42/85/52/526428552.db2.gz VMJLSIUXGRGTFT-KRWDZBQOSA-N 0 1 269.392 3.821 20 0 CHADMN c1cc([C@@H]2CCCCN2Cc2cccc3cc[nH]c32)n[nH]1 ZINC000289665064 526437098 /nfs/dbraw/zinc/43/70/98/526437098.db2.gz YUKFMMDMXZTZJJ-INIZCTEOSA-N 0 1 280.375 3.618 20 0 CHADMN c1ccc(-c2nnc(CN3CCC[C@@H](C4CC4)C3)s2)cc1 ZINC000289460104 526455015 /nfs/dbraw/zinc/45/50/15/526455015.db2.gz PZXNESHFEPKKTB-OAHLLOKOSA-N 0 1 299.443 3.827 20 0 CHADMN CC(C)(C)OCCCCN1CCO[C@@H](c2ccccc2)C1 ZINC000354833257 526548840 /nfs/dbraw/zinc/54/88/40/526548840.db2.gz IWQTWYHZXWFVPE-QGZVFWFLSA-N 0 1 291.435 3.655 20 0 CHADMN c1coc([C@@H]2CCCCCN2Cc2ccccn2)c1 ZINC000077177062 526569897 /nfs/dbraw/zinc/56/98/97/526569897.db2.gz GMRTZVCUEOMWKN-HNNXBMFYSA-N 0 1 256.349 3.792 20 0 CHADMN c1csc([C@H](NCc2cn3ccccc3n2)C2CC2)c1 ZINC000340389746 526587831 /nfs/dbraw/zinc/58/78/31/526587831.db2.gz NTACOVUBLPQKRL-MRXNPFEDSA-N 0 1 283.400 3.637 20 0 CHADMN Cc1noc([C@@H]2CCCCN2C[C@@H](C)Cc2ccccc2)n1 ZINC000289743094 526650995 /nfs/dbraw/zinc/65/09/95/526650995.db2.gz IPFHWLUUOCQOKL-YOEHRIQHSA-N 0 1 299.418 3.784 20 0 CHADMN Cc1nocc1CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000339289801 526695302 /nfs/dbraw/zinc/69/53/02/526695302.db2.gz IKUQXCCHXNKHLN-ZDUSSCGKSA-N 0 1 293.370 3.896 20 0 CHADMN Cc1nocc1CN[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000293507388 526696437 /nfs/dbraw/zinc/69/64/37/526696437.db2.gz HTTPXHKFQSWCLF-QFYYESIMSA-N 0 1 274.339 3.535 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccccc3F)C2)c(C)s1 ZINC000339380430 526870331 /nfs/dbraw/zinc/87/03/31/526870331.db2.gz XIEMDSXZVUIEKF-CYBMUJFWSA-N 0 1 290.407 3.889 20 0 CHADMN Cc1nc(CNc2ccc(CN(C)C)c(Cl)c2)cs1 ZINC000280387108 526898592 /nfs/dbraw/zinc/89/85/92/526898592.db2.gz WQMRNXZUZMOKTP-UHFFFAOYSA-N 0 1 295.839 3.779 20 0 CHADMN Cc1sccc1CNCc1cccc(OC(C)(C)C)n1 ZINC000339333253 526915147 /nfs/dbraw/zinc/91/51/47/526915147.db2.gz UGRGFTSOTNRBIR-UHFFFAOYSA-N 0 1 290.432 3.919 20 0 CHADMN Cc1nc(F)ccc1CN1CC[C@H](c2ccccc2F)C1 ZINC000278384435 526945360 /nfs/dbraw/zinc/94/53/60/526945360.db2.gz DDHCHUSWQUFSPS-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN Clc1ccc(N[C@@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000340334779 526956673 /nfs/dbraw/zinc/95/66/73/526956673.db2.gz ZTYXSEDJOJMNME-LBPRGKRZSA-N 0 1 290.779 3.721 20 0 CHADMN Clc1ccc([C@@H](NCc2ncc[nH]2)C2CCC2)cc1 ZINC000066594215 526961166 /nfs/dbraw/zinc/96/11/66/526961166.db2.gz XNLCVZIPWLVHJZ-HNNXBMFYSA-N 0 1 275.783 3.694 20 0 CHADMN NC1(c2noc(-c3cc(Cl)ccc3Cl)n2)CCCC1 ZINC000041153014 527132192 /nfs/dbraw/zinc/13/21/92/527132192.db2.gz YBYPQCXJEKDRMJ-UHFFFAOYSA-N 0 1 298.173 3.771 20 0 CHADMN NC1(c2noc(-c3csc4ccccc34)n2)CCCC1 ZINC000042892888 527134988 /nfs/dbraw/zinc/13/49/88/527134988.db2.gz FSKMRKUICNIJBP-UHFFFAOYSA-N 0 1 285.372 3.679 20 0 CHADMN NC1(c2noc(-c3ccccc3Cl)n2)CCCCC1 ZINC000041153273 527135142 /nfs/dbraw/zinc/13/51/42/527135142.db2.gz SWKJUPZNELQKQC-UHFFFAOYSA-N 0 1 277.755 3.508 20 0 CHADMN Cc1nc2ccc(NC(=O)c3ccoc3C3CC3)cc2[nH]1 ZINC000337058520 527147294 /nfs/dbraw/zinc/14/72/94/527147294.db2.gz QQMPOKFXWCQVKS-UHFFFAOYSA-N 0 1 281.315 3.594 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(CC(C)C)C2CCCC2)[nH]1 ZINC000338578952 527150282 /nfs/dbraw/zinc/15/02/82/527150282.db2.gz DYFXPSNFZJLXBN-UHFFFAOYSA-N 0 1 299.418 3.912 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@H]3CCCC[C@H]32)[nH]1 ZINC000338500041 527152149 /nfs/dbraw/zinc/15/21/49/527152149.db2.gz CZZZCKYEVMDBPF-CZUORRHYSA-N 0 1 297.402 3.666 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@@H](C)c3ccc(C)cc3)c2[nH]1 ZINC000338504366 527153132 /nfs/dbraw/zinc/15/31/32/527153132.db2.gz ACVUCRXKIVHQEA-LBPRGKRZSA-N 0 1 293.370 3.671 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@@H]3CCC[C@H](C)CC3)c2[nH]1 ZINC000338613274 527155309 /nfs/dbraw/zinc/15/53/09/527155309.db2.gz YFSHJIXLAOEHIU-WCQYABFASA-N 0 1 285.391 3.570 20 0 CHADMN Cn1cc(CNC2(c3ccc(Cl)c(Cl)c3)CC2)cn1 ZINC000299625600 527215011 /nfs/dbraw/zinc/21/50/11/527215011.db2.gz XNLDEJLCWOTINE-UHFFFAOYSA-N 0 1 296.201 3.506 20 0 CHADMN O=C(Nc1cccc(C2CCC2)c1)c1cn[nH]c1C1CC1 ZINC000291296832 527335136 /nfs/dbraw/zinc/33/51/36/527335136.db2.gz QMWIKVDXNFRKLL-UHFFFAOYSA-N 0 1 281.359 3.807 20 0 CHADMN Cn1ccc([C@H](NC2CCCCC2)c2ccc(F)cc2)n1 ZINC000366694386 527371364 /nfs/dbraw/zinc/37/13/64/527371364.db2.gz JCVJQWYPVQYBLD-QGZVFWFLSA-N 0 1 287.382 3.571 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H](c1ccccc1)C1CC1 ZINC000187720948 527457971 /nfs/dbraw/zinc/45/79/71/527457971.db2.gz MKVBKYOZNIMOPD-SUMWQHHRSA-N 0 1 267.376 3.587 20 0 CHADMN Cn1ccnc1[C@H](N[C@H]1CCCc2ccc(F)cc21)C1CC1 ZINC000281004170 527467093 /nfs/dbraw/zinc/46/70/93/527467093.db2.gz NTZUWTXTPQBAQN-DLBZAZTESA-N 0 1 299.393 3.678 20 0 CHADMN Cc1ncsc1CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000071212638 527512001 /nfs/dbraw/zinc/51/20/01/527512001.db2.gz KTVUNDLSVOVMCD-SECBINFHSA-N 0 1 298.358 3.904 20 0 CHADMN OCC1CCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000046091524 527529044 /nfs/dbraw/zinc/52/90/44/527529044.db2.gz PAXSFWFKOYCVAD-UHFFFAOYSA-N 0 1 295.835 3.759 20 0 CHADMN OC[C@@H](NCc1cccc(C(F)F)c1)c1ccc(F)cc1 ZINC000279712148 527582392 /nfs/dbraw/zinc/58/23/92/527582392.db2.gz LEOVZMFHWCVUSJ-OAHLLOKOSA-N 0 1 295.304 3.587 20 0 CHADMN Cc1nn(C)c(C)c1CNCc1ccc(-c2ccccc2)o1 ZINC000069783651 527638308 /nfs/dbraw/zinc/63/83/08/527638308.db2.gz BGBKXSKJHOOGKO-UHFFFAOYSA-N 0 1 295.386 3.587 20 0 CHADMN FC(F)(F)C1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000127195037 527663583 /nfs/dbraw/zinc/66/35/83/527663583.db2.gz HCTHVPSXQFKFAT-UHFFFAOYSA-N 0 1 297.320 3.737 20 0 CHADMN CC(C)(C)C[C@@H](O)CNc1ccnc2cc(F)ccc21 ZINC000343783901 527697166 /nfs/dbraw/zinc/69/71/66/527697166.db2.gz FOJKABYRIRKCLM-GFCCVEGCSA-N 0 1 276.355 3.583 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@@H]1CCSc2ccccc21 ZINC000087408574 527700180 /nfs/dbraw/zinc/70/01/80/527700180.db2.gz SLLOBOINYPWSQX-XHDPSFHLSA-N 0 1 287.432 3.616 20 0 CHADMN CC(C)[C@H]1C[C@H](N[C@@H](C)c2ccc(=O)[nH]n2)c2ccccc21 ZINC000353590374 527884385 /nfs/dbraw/zinc/88/43/85/527884385.db2.gz UBKOUGFSYLBHLX-MJEQTWJJSA-N 0 1 297.402 3.717 20 0 CHADMN CC(C)[C@H]1N(Cc2cnc([C@@H]3CCCO3)s2)CC1(C)C ZINC000353748865 527896883 /nfs/dbraw/zinc/89/68/83/527896883.db2.gz SHCBZRHSSJVEFZ-UONOGXRCSA-N 0 1 294.464 3.861 20 0 CHADMN CC1=CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000353866181 528121626 /nfs/dbraw/zinc/12/16/26/528121626.db2.gz MKNXEIWNLYYJCM-UHFFFAOYSA-N 0 1 287.794 3.678 20 0 CHADMN CCC(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000334773660 528302089 /nfs/dbraw/zinc/30/20/89/528302089.db2.gz ZUTAEAFRNKAIOK-CYBMUJFWSA-N 0 1 291.782 3.680 20 0 CHADMN CCOc1ccc(C(=O)Nc2nc3ccc(C)cc3[nH]2)cc1 ZINC000344469910 528407995 /nfs/dbraw/zinc/40/79/95/528407995.db2.gz UHYDGJPURGBOTN-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN CCOc1ccc(CNc2ccnc(C)c2Cl)cc1F ZINC000352850066 528438044 /nfs/dbraw/zinc/43/80/44/528438044.db2.gz QYJHTRJMVDHRQV-UHFFFAOYSA-N 0 1 294.757 3.615 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1Cc1csc(COC)n1 ZINC000353997026 528442345 /nfs/dbraw/zinc/44/23/45/528442345.db2.gz HFJVJCUZNDGMPY-JSGCOSHPSA-N 0 1 282.453 3.690 20 0 CHADMN CC(C)C[C@H](NCc1cc[nH]n1)c1ccc(Cl)cc1 ZINC000344515020 528573283 /nfs/dbraw/zinc/57/32/83/528573283.db2.gz CQNYSNQAGLPUOM-HNNXBMFYSA-N 0 1 277.799 3.940 20 0 CHADMN CCC(C)(C)c1ccc(CN[C@H](C)c2ccc(=O)[nH]n2)cc1 ZINC000353634169 528605180 /nfs/dbraw/zinc/60/51/80/528605180.db2.gz USCYKLXORHHAIH-CYBMUJFWSA-N 0 1 299.418 3.721 20 0 CHADMN CCCc1ccc(CN(CCOC)Cc2ccccn2)cc1 ZINC000347269958 528620730 /nfs/dbraw/zinc/62/07/30/528620730.db2.gz KEVDGSUKWBXVGW-UHFFFAOYSA-N 0 1 298.430 3.683 20 0 CHADMN CC(C)Cc1ccc(CNCc2ccc(F)cn2)cc1 ZINC000344926775 528648967 /nfs/dbraw/zinc/64/89/67/528648967.db2.gz ZTLMUTPBGWEIAO-UHFFFAOYSA-N 0 1 272.367 3.709 20 0 CHADMN CC(C)Cc1ncc(CN(C)CCCOC(C)C)s1 ZINC000353698737 528667732 /nfs/dbraw/zinc/66/77/32/528667732.db2.gz PEFNCEJSVHIPDW-UHFFFAOYSA-N 0 1 284.469 3.589 20 0 CHADMN CC(C)n1nccc1CN1CCC[C@@H]2CCCC[C@H]21 ZINC000353648166 528676754 /nfs/dbraw/zinc/67/67/54/528676754.db2.gz ITKBCDIDRLZWMH-GOEBONIOSA-N 0 1 261.413 3.619 20 0 CHADMN CC(C)n1nccc1CN1CCC[C@H]2CCCC[C@H]21 ZINC000353648165 528676941 /nfs/dbraw/zinc/67/69/41/528676941.db2.gz ITKBCDIDRLZWMH-GDBMZVCRSA-N 0 1 261.413 3.619 20 0 CHADMN CCCOc1cccc(CN(C)Cc2cccc(C)n2)c1 ZINC000353753329 528752357 /nfs/dbraw/zinc/75/23/57/528752357.db2.gz OOXMSCRXBAYTLX-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN CCN(Cc1c(F)cccc1F)CC1(SC)CC1 ZINC000347815005 528760686 /nfs/dbraw/zinc/76/06/86/528760686.db2.gz NBBQWGDVFZIGII-UHFFFAOYSA-N 0 1 271.376 3.682 20 0 CHADMN CCN(Cc1ccc2occc2c1)Cc1ccccn1 ZINC000347773225 528802124 /nfs/dbraw/zinc/80/21/24/528802124.db2.gz DXSHCTRRVBJISG-UHFFFAOYSA-N 0 1 266.344 3.850 20 0 CHADMN CCN(Cc1coc(-c2ccccc2)n1)C1CCC1 ZINC000353866598 528881579 /nfs/dbraw/zinc/88/15/79/528881579.db2.gz IRBMQEBANAJQHE-UHFFFAOYSA-N 0 1 256.349 3.716 20 0 CHADMN CC1(C)CCCN1Cc1cscc1Br ZINC000347848482 528944477 /nfs/dbraw/zinc/94/44/77/528944477.db2.gz QKUSTZGELPGXLI-UHFFFAOYSA-N 0 1 274.227 3.885 20 0 CHADMN CCc1cccc(Cl)c1CNCc1cnc(C)s1 ZINC000353740822 529172869 /nfs/dbraw/zinc/17/28/69/529172869.db2.gz SERACUCXVNYZPD-UHFFFAOYSA-N 0 1 280.824 3.957 20 0 CHADMN CC[C@H]1CCCN1Cc1cscc1Br ZINC000347649011 529221070 /nfs/dbraw/zinc/22/10/70/529221070.db2.gz ZEFQHASVKVGWDD-JTQLQIEISA-N 0 1 274.227 3.885 20 0 CHADMN CCSc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000350750247 529243377 /nfs/dbraw/zinc/24/33/77/529243377.db2.gz XWAFJDUYXRZQFD-UHFFFAOYSA-N 0 1 297.383 3.927 20 0 CHADMN CC[C@@H](c1ccccc1OC)N(C)Cc1ccccn1 ZINC000347542617 529258546 /nfs/dbraw/zinc/25/85/46/529258546.db2.gz PSVHSEAXTSJZJS-INIZCTEOSA-N 0 1 270.376 3.673 20 0 CHADMN CC[C@H]1CN(Cc2c(C)oc3ccccc32)C[C@@H](C)O1 ZINC000352721168 529296316 /nfs/dbraw/zinc/29/63/16/529296316.db2.gz ZSRMELJFTXIYMH-OCCSQVGLSA-N 0 1 273.376 3.741 20 0 CHADMN CC[C@@H]1CCCN(Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000351965655 529298849 /nfs/dbraw/zinc/29/88/49/529298849.db2.gz UUGKKWUKUCVEHK-TZMCWYRMSA-N 0 1 280.437 3.617 20 0 CHADMN CC[C@@H]1CCN(Cc2cscc2Br)C1 ZINC000347927370 529327398 /nfs/dbraw/zinc/32/73/98/529327398.db2.gz QGKHJCJRLBLORF-SECBINFHSA-N 0 1 274.227 3.743 20 0 CHADMN CC(C)C[C@H](N[C@@H](C)c1nccn1C)c1cccs1 ZINC000341760558 535323188 /nfs/dbraw/zinc/32/31/88/535323188.db2.gz LXEXCPUEOMGAAE-STQMWFEESA-N 0 1 277.437 3.920 20 0 CHADMN CCC[C@H](C)N1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000192847562 567000986 /nfs/dbraw/zinc/00/09/86/567000986.db2.gz KMVGQHDUPRMTMK-WCQYABFASA-N 0 1 296.436 3.645 20 0 CHADMN CCCC[N@@H+](CCCC(=O)[O-])Cc1ccccc1Cl ZINC000116391081 600228251 /nfs/dbraw/zinc/22/82/51/600228251.db2.gz LWQLIZYGSJYKDR-UHFFFAOYSA-N 0 1 283.799 3.807 20 0 CHADMN CCC[N@H+](Cc1cc(C(=O)[O-])co1)Cc1ccccc1F ZINC000656764775 599848687 /nfs/dbraw/zinc/84/86/87/599848687.db2.gz FCGGNNPAIUEHTN-UHFFFAOYSA-N 0 1 291.322 3.529 20 0 CHADMN CCC[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccccc1F ZINC000656764775 599848691 /nfs/dbraw/zinc/84/86/91/599848691.db2.gz FCGGNNPAIUEHTN-UHFFFAOYSA-N 0 1 291.322 3.529 20 0 CHADMN Cc1ccc(C)c([C@@H](C)[N@@H+](C)Cc2cc(C(=O)[O-])co2)c1 ZINC000568068713 599848783 /nfs/dbraw/zinc/84/87/83/599848783.db2.gz QFEDWDHOWTUQOG-CYBMUJFWSA-N 0 1 287.359 3.788 20 0 CHADMN O=C([O-])c1coc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000652398444 599848950 /nfs/dbraw/zinc/84/89/50/599848950.db2.gz CNXRHLKTWBSDLH-KRWDZBQOSA-N 0 1 297.354 3.630 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)[C@@H]1CCCc2ccccc21 ZINC000316409315 599963107 /nfs/dbraw/zinc/96/31/07/599963107.db2.gz YXKWTJGFJKTVAX-GOSISDBHSA-N 0 1 295.382 3.894 20 0 CHADMN C[C@H](c1ccc(F)cc1)[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736716334 600085465 /nfs/dbraw/zinc/08/54/65/600085465.db2.gz FVGRFJKYTVNXLL-LLVKDONJSA-N 0 1 285.318 3.601 20 0 CHADMN C[C@H](c1ccc(F)cc1)[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736716334 600085470 /nfs/dbraw/zinc/08/54/70/600085470.db2.gz FVGRFJKYTVNXLL-LLVKDONJSA-N 0 1 285.318 3.601 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000652409091 600143764 /nfs/dbraw/zinc/14/37/64/600143764.db2.gz GQTMSVCTGMTCJA-CHWSQXEVSA-N 0 1 287.359 3.774 20 0 CHADMN O=C([O-])CCC[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000604772135 600227557 /nfs/dbraw/zinc/22/75/57/600227557.db2.gz XQOJWIKICGKECS-UHFFFAOYSA-N 0 1 295.382 3.794 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000252540262 600318892 /nfs/dbraw/zinc/31/88/92/600318892.db2.gz CJROSMOFTAITAT-VXGBXAGGSA-N 0 1 265.353 3.551 20 0 CHADMN O=C([O-])c1occc1C[N@H+]1CCCC2(CCCCC2)C1 ZINC000652413536 600338117 /nfs/dbraw/zinc/33/81/17/600338117.db2.gz VHSZYEHHYVTCQE-UHFFFAOYSA-N 0 1 277.364 3.524 20 0 CHADMN CCc1ccc([C@H]2CCC[N@H+]2Cc2cccc(C(=O)[O-])c2)o1 ZINC000737258773 600411573 /nfs/dbraw/zinc/41/15/73/600411573.db2.gz ISDKOLJARYSNKE-MRXNPFEDSA-N 0 1 299.370 3.877 20 0 CHADMN Cc1cccc(C)c1C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000157725382 600430105 /nfs/dbraw/zinc/43/01/05/600430105.db2.gz SZKBVXCABWCIGO-UHFFFAOYSA-N 0 1 283.371 3.634 20 0 CHADMN CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])c(C)o1 ZINC000736879493 600432315 /nfs/dbraw/zinc/43/23/15/600432315.db2.gz FCACEDWAXOARLF-IAQYHMDHSA-N 0 1 279.380 3.687 20 0 CHADMN Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cc2occc2C(=O)[O-])C1 ZINC000565106270 600432615 /nfs/dbraw/zinc/43/26/15/600432615.db2.gz OXZWYXXLDLLMPG-KGLIPLIRSA-N 0 1 299.370 3.664 20 0 CHADMN CCS[C@H]1CCCC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000571810288 600434270 /nfs/dbraw/zinc/43/42/70/600434270.db2.gz BXZGHAGOIIEARW-RYUDHWBXSA-N 0 1 297.420 3.646 20 0 CHADMN Cc1c2ccccc2oc1C[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000738202342 600439416 /nfs/dbraw/zinc/43/94/16/600439416.db2.gz OUDKBDKXIJJRLE-KRWDZBQOSA-N 0 1 295.338 3.657 20 0 CHADMN C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000736838763 600441312 /nfs/dbraw/zinc/44/13/12/600441312.db2.gz TVRIKLCFOJERPQ-LBPRGKRZSA-N 0 1 299.345 3.643 20 0 CHADMN O=C([O-])C[C@@H]1CCCC[N@H+]1CCCc1ccc(Cl)cc1 ZINC000650505053 600711998 /nfs/dbraw/zinc/71/19/98/600711998.db2.gz OSBRLACRVLEFBT-HNNXBMFYSA-N 0 1 295.810 3.602 20 0 CHADMN CCC(C)(C)CC[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000659790610 600826957 /nfs/dbraw/zinc/82/69/57/600826957.db2.gz CYUIAUVXKYBCBT-UHFFFAOYSA-N 0 1 261.365 3.527 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])[C@@H](c2ccco2)C1 ZINC000569111471 600862123 /nfs/dbraw/zinc/86/21/23/600862123.db2.gz UCUGCMMIPGMREH-DGCLKSJQSA-N 0 1 289.331 3.544 20 0 CHADMN Cc1cccnc1[C@@H]([NH2+][C@@H](C(=O)[O-])c1ccccc1)C(C)C ZINC000738321650 600956478 /nfs/dbraw/zinc/95/64/78/600956478.db2.gz IWSPCERXRCSESJ-DOTOQJQBSA-N 0 1 298.386 3.503 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])co2)c1C ZINC000738698587 600966861 /nfs/dbraw/zinc/96/68/61/600966861.db2.gz OSMGERZEDSAXGA-KRWDZBQOSA-N 0 1 299.370 3.932 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC2(C1)CCCCC2 ZINC000312708481 600975096 /nfs/dbraw/zinc/97/50/96/600975096.db2.gz SMPGUMPKNGOMHH-LBPRGKRZSA-N 0 1 277.364 3.695 20 0 CHADMN CCC(C)(C)CC[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000686201613 601013651 /nfs/dbraw/zinc/01/36/51/601013651.db2.gz AGIDQSOEIFEWIQ-CQSZACIVSA-N 0 1 263.381 3.570 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000828456979 601042609 /nfs/dbraw/zinc/04/26/09/601042609.db2.gz PLDAWPKZUZWARJ-DYVFJYSZSA-N 0 1 281.355 3.578 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])sc1C ZINC000155953139 601612580 /nfs/dbraw/zinc/61/25/80/601612580.db2.gz ZGTKJFZGRRPCGB-LBPRGKRZSA-N 0 1 267.394 3.519 20 0 CHADMN C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000235553271 601617434 /nfs/dbraw/zinc/61/74/34/601617434.db2.gz AJXYYVJDRMFIMX-XHDPSFHLSA-N 0 1 279.355 3.534 20 0 CHADMN CC[N@@H+](CCC(F)(F)F)Cc1cc(C(=O)[O-])sc1C ZINC000652405528 601624859 /nfs/dbraw/zinc/62/48/59/601624859.db2.gz KGPULPYRSQCXST-UHFFFAOYSA-N 0 1 295.326 3.529 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@@H]2c2ccco2)s1 ZINC000833313078 601958505 /nfs/dbraw/zinc/95/85/05/601958505.db2.gz NZHLHFFIXSDSFB-GFCCVEGCSA-N 0 1 291.372 3.767 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](Cc1ccc(C(=O)[O-])s1)C1CC1 ZINC000568060124 601962802 /nfs/dbraw/zinc/96/28/02/601962802.db2.gz RKIVUEMUZKJFSO-SNVBAGLBSA-N 0 1 291.372 3.765 20 0 CHADMN CCC[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000570410220 601967139 /nfs/dbraw/zinc/96/71/39/601967139.db2.gz FQZJYJPZQZXLBS-LBPRGKRZSA-N 0 1 279.355 3.536 20 0 CHADMN C[C@H](C1CC1)[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccccc1 ZINC000385160057 602072631 /nfs/dbraw/zinc/07/26/31/602072631.db2.gz BCXWYZLYSMJKOB-CYBMUJFWSA-N 0 1 299.370 3.779 20 0 CHADMN CC(C)[C@H](C)[N@@H+](Cc1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000833469289 604750526 /nfs/dbraw/zinc/75/05/26/604750526.db2.gz UHFJGBHKMRPFFF-NSHDSACASA-N 0 1 279.355 3.533 20 0 CHADMN CC(C)[N@H+](Cc1ccco1)Cc1ccc(C(=O)[O-])cc1F ZINC000519706272 604751902 /nfs/dbraw/zinc/75/19/02/604751902.db2.gz QEWFWEAJTSMSIR-UHFFFAOYSA-N 0 1 291.322 3.528 20 0 CHADMN CC(C)[N@@H+](Cc1ccco1)Cc1ccc(C(=O)[O-])cc1F ZINC000519706272 604751906 /nfs/dbraw/zinc/75/19/06/604751906.db2.gz QEWFWEAJTSMSIR-UHFFFAOYSA-N 0 1 291.322 3.528 20 0 CHADMN C[C@H](c1ccccc1)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833550954 604848010 /nfs/dbraw/zinc/84/80/10/604848010.db2.gz ZQZDCYNIDJXCPV-CYBMUJFWSA-N 0 1 281.355 3.504 20 0 CHADMN C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135046637 604933055 /nfs/dbraw/zinc/93/30/55/604933055.db2.gz GWXWYGLGNHZZDA-JSGCOSHPSA-N 0 1 293.382 3.710 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccccc1CC(=O)[O-] ZINC000383583926 605061736 /nfs/dbraw/zinc/06/17/36/605061736.db2.gz MVXCPYXBDDWURP-AWEZNQCLSA-N 0 1 283.371 3.507 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](C)Cc1ccccc1CC(=O)[O-] ZINC000383583929 605062210 /nfs/dbraw/zinc/06/22/10/605062210.db2.gz MVXCPYXBDDWURP-CQSZACIVSA-N 0 1 283.371 3.507 20 0 CHADMN Fc1cc(F)c(F)c(CN2CC[C@H]3CCC[C@H]3C2)c1 ZINC001137868291 1131425845 /nfs/dbraw/zinc/42/58/45/1131425845.db2.gz HFXDWVPTNHOCCG-MNOVXSKESA-N 0 1 269.310 3.726 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CCCC(C)(C)CC2)n1 ZINC000126989603 1125458177 /nfs/dbraw/zinc/45/81/77/1125458177.db2.gz FYKZETGYSGXMQY-GFCCVEGCSA-N 0 1 265.401 3.766 20 0 CHADMN CCN(Cc1c(F)ccc(Cl)c1F)C1CCOCC1 ZINC001137881503 1131429009 /nfs/dbraw/zinc/42/90/09/1131429009.db2.gz SPOFPPIMZDTVQZ-UHFFFAOYSA-N 0 1 289.753 3.619 20 0 CHADMN C[C@H](c1cccc(F)c1)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000316160152 950868843 /nfs/dbraw/zinc/86/88/43/950868843.db2.gz WKIOZQKJMKOBAC-PXAZEXFGSA-N 0 1 299.345 3.571 20 0 CHADMN CC(C)(C)CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001602861566 971722251 /nfs/dbraw/zinc/72/22/51/971722251.db2.gz BLRUSMUUIQDCRC-JKSUJKDBSA-N 0 1 289.419 3.613 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CCCC(C)(C)CC1 ZINC000127109477 1125459929 /nfs/dbraw/zinc/45/99/29/1125459929.db2.gz BWQRQURUAHWDGD-NSHDSACASA-N 0 1 263.385 3.520 20 0 CHADMN C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000382111560 971799457 /nfs/dbraw/zinc/79/94/57/971799457.db2.gz KYWWLNJGXSUXEW-WOPDTQHZSA-N 0 1 295.810 3.905 20 0 CHADMN C[N@@H+](Cc1ccccc1-c1ccccc1)[C@H](C(=O)[O-])C1CC1 ZINC000584844632 953735051 /nfs/dbraw/zinc/73/50/51/953735051.db2.gz GXOYGSBYQJXTKC-SFHVURJKSA-N 0 1 295.382 3.649 20 0 CHADMN Cc1noc(C)c1CN(C)Cc1ccc(C)c(C)c1 ZINC000127350420 1125461193 /nfs/dbraw/zinc/46/11/93/1125461193.db2.gz USIRRDMWEBRQIC-UHFFFAOYSA-N 0 1 258.365 3.540 20 0 CHADMN CC[N@@H+](CCC1CC1)Cc1cccc(C(=O)[O-])c1Cl ZINC000385231683 971989177 /nfs/dbraw/zinc/98/91/77/971989177.db2.gz QXJHJFWBZYZFQK-UHFFFAOYSA-N 0 1 281.783 3.660 20 0 CHADMN C[C@@H](CC[N@@H+](CC(=O)[O-])CC(C)(C)C)c1ccccc1 ZINC000665351104 954543511 /nfs/dbraw/zinc/54/35/11/954543511.db2.gz QMFJVENMJNMMTA-AWEZNQCLSA-N 0 1 277.408 3.613 20 0 CHADMN CC[C@H]1CCC[C@H](C[N@@H+](CC(=O)[O-])CC(C)(C)C)C1 ZINC000665351067 954543597 /nfs/dbraw/zinc/54/35/97/954543597.db2.gz OSQDRCZFOKNVCH-KBPBESRZSA-N 0 1 269.429 3.636 20 0 CHADMN CC(C)[C@H]1CCCCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC001603000295 972039455 /nfs/dbraw/zinc/03/94/55/972039455.db2.gz RDRIOIVBSGCFKE-CQSZACIVSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1C1c2ccccc2-c2ccccc21 ZINC000387904690 972148043 /nfs/dbraw/zinc/14/80/43/972148043.db2.gz VKCPBFAVUWQQSI-CHWSQXEVSA-N 0 1 293.366 3.551 20 0 CHADMN Cc1c(Cl)cccc1C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000901551673 956336308 /nfs/dbraw/zinc/33/63/08/956336308.db2.gz IUBFAYWUGKJOBR-ZDUSSCGKSA-N 0 1 295.810 3.725 20 0 CHADMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(C3CC3)c(C3CC3)c2)C1 ZINC001589199116 956627426 /nfs/dbraw/zinc/62/74/26/956627426.db2.gz RRBPGAWUFJVEDK-LJQANCHMSA-N 0 1 299.414 3.738 20 0 CHADMN CC(=O)CCN1CCC[C@@H]1c1cccc(Br)c1 ZINC000128263815 1125466311 /nfs/dbraw/zinc/46/63/11/1125466311.db2.gz MUMYISKLRJCXMM-CQSZACIVSA-N 0 1 296.208 3.565 20 0 CHADMN CCc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000903402368 956831757 /nfs/dbraw/zinc/83/17/57/956831757.db2.gz PDJCAOSFTZEOKM-MRXNPFEDSA-N 0 1 297.398 3.699 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC001204154745 957248862 /nfs/dbraw/zinc/24/88/62/957248862.db2.gz LZBUJBSNFMSWOZ-KRWDZBQOSA-N 0 1 281.355 3.722 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1Cl ZINC000037598690 957314278 /nfs/dbraw/zinc/31/42/78/957314278.db2.gz QRDHEGBIWZHMDM-SECBINFHSA-N 0 1 290.190 3.679 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000062015237 957597214 /nfs/dbraw/zinc/59/72/14/957597214.db2.gz DACFXSAGRSKGCF-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC000062015338 957597598 /nfs/dbraw/zinc/59/75/98/957597598.db2.gz LLUUXZDRRUHJQB-GFCCVEGCSA-N 0 1 287.334 3.717 20 0 CHADMN O=C([O-])c1ccc(F)c(C[N@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000062754280 957608592 /nfs/dbraw/zinc/60/85/92/957608592.db2.gz QHBPONWTGUSMNC-MRXNPFEDSA-N 0 1 291.366 3.679 20 0 CHADMN O=C([O-])CC[N@@H+](CCC1=CCCCC1)Cc1ccccc1 ZINC000071736166 957730605 /nfs/dbraw/zinc/73/06/05/957730605.db2.gz NDALTIGAEHSREB-UHFFFAOYSA-N 0 1 287.403 3.854 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000080992448 957774758 /nfs/dbraw/zinc/77/47/58/957774758.db2.gz NNXOTVBPNTUPRY-ZIAGYGMSSA-N 0 1 255.402 3.532 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000091780927 958151582 /nfs/dbraw/zinc/15/15/82/958151582.db2.gz GSVPBIRKACXFBX-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC000094904699 958321602 /nfs/dbraw/zinc/32/16/02/958321602.db2.gz WTVAPSJNKYCMCW-SFHVURJKSA-N 0 1 289.419 3.572 20 0 CHADMN CC(C)CC[N@@H+](Cc1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000112439439 958441741 /nfs/dbraw/zinc/44/17/41/958441741.db2.gz VLMYTGRHODNFIA-UHFFFAOYSA-N 0 1 279.355 3.534 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)Cc1ccc(F)cc1 ZINC000122741455 958485891 /nfs/dbraw/zinc/48/58/91/958485891.db2.gz YWUNVZKYZKBEGC-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN CC(C)(C)c1coc(CNCC[C@H]2CCC(C)(C)CO2)n1 ZINC000897473914 1125468079 /nfs/dbraw/zinc/46/80/79/1125468079.db2.gz ICCZVDBLGSZPJE-CYBMUJFWSA-N 0 1 294.439 3.657 20 0 CHADMN CCn1nccc1CN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000128764223 1125468769 /nfs/dbraw/zinc/46/87/69/1125468769.db2.gz VMMFHIDWRBQJOT-SUMWQHHRSA-N 0 1 287.382 3.625 20 0 CHADMN Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135050681 958882251 /nfs/dbraw/zinc/88/22/51/958882251.db2.gz YXKDMDIEQKNWIU-CABCVRRESA-N 0 1 289.419 3.879 20 0 CHADMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc(C(=O)[O-])sc1C ZINC000136275937 958897526 /nfs/dbraw/zinc/89/75/26/958897526.db2.gz NJTBESJBBYZBIK-SKDRFNHKSA-N 0 1 267.394 3.518 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)[C@H](C)C(C)(C)C ZINC000155974511 959045441 /nfs/dbraw/zinc/04/54/41/959045441.db2.gz IRSXFMWEOQQUNM-SNVBAGLBSA-N 0 1 269.410 3.621 20 0 CHADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1Cc1ccc2ccccc2c1 ZINC001594216181 959332680 /nfs/dbraw/zinc/33/26/80/959332680.db2.gz OLKPVEJGJLNUQT-CXAGYDPISA-N 0 1 283.371 3.667 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC(n2ccnc2)CC1 ZINC000109795233 1125471029 /nfs/dbraw/zinc/47/10/29/1125471029.db2.gz LGBBFYSTOSIGPI-LBPRGKRZSA-N 0 1 291.345 3.559 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CCCCC(=O)[O-] ZINC000181569784 959441511 /nfs/dbraw/zinc/44/15/11/959441511.db2.gz JQPUWEYFGVMIDS-QGZVFWFLSA-N 0 1 291.435 3.893 20 0 CHADMN CN(CCc1cccs1)Cc1ccc(F)c(F)c1F ZINC001137939054 1131439000 /nfs/dbraw/zinc/43/90/00/1131439000.db2.gz HCWNKSLRLXPXGK-UHFFFAOYSA-N 0 1 285.334 3.840 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000213375367 959720957 /nfs/dbraw/zinc/72/09/57/959720957.db2.gz UVKRNHOSVKPIGG-NSHDSACASA-N 0 1 267.394 3.601 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227829395 959971151 /nfs/dbraw/zinc/97/11/51/959971151.db2.gz ZHLOONRCAKBZJS-NHYWBVRUSA-N 0 1 281.783 3.588 20 0 CHADMN Cc1ccc2nc(SCC[C@@H]3CCCO3)[nH]c2c1 ZINC000188737030 1125472424 /nfs/dbraw/zinc/47/24/24/1125472424.db2.gz KMJBYAOYYXNNEV-NSHDSACASA-N 0 1 262.378 3.533 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)c(Cl)c1 ZINC000235875382 960523036 /nfs/dbraw/zinc/52/30/36/960523036.db2.gz KQZLUMXGYWLPMS-ZDUSSCGKSA-N 0 1 295.810 3.725 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000251349455 961247394 /nfs/dbraw/zinc/24/73/94/961247394.db2.gz NNXOTVBPNTUPRY-KGLIPLIRSA-N 0 1 255.402 3.532 20 0 CHADMN Brc1ccc(CNc2cc3c(cn2)CCC3)o1 ZINC000339553244 1117850426 /nfs/dbraw/zinc/85/04/26/1117850426.db2.gz HENGGYZVPKXZAJ-UHFFFAOYSA-N 0 1 293.164 3.538 20 0 CHADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1cccc(Cl)c1F ZINC001137962659 1131442586 /nfs/dbraw/zinc/44/25/86/1131442586.db2.gz WFMIOMHIGLKHHZ-FUNVUKJBSA-N 0 1 283.774 3.621 20 0 CHADMN Cc1oc(C[N@H+](C)C[C@@H]2CCCC[C@H]2C)cc1C(=O)[O-] ZINC001334011506 961742125 /nfs/dbraw/zinc/74/21/25/961742125.db2.gz YFZXMPLYYQTGRO-YPMHNXCESA-N 0 1 279.380 3.544 20 0 CHADMN C[N@@H+](CCCCc1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC000262587356 961780847 /nfs/dbraw/zinc/78/08/47/961780847.db2.gz ZYJJCKJWGAYSIB-UHFFFAOYSA-N 0 1 297.398 3.840 20 0 CHADMN CC(=O)c1ccc2c(c1)CN(CCCC(C)C)CC2 ZINC001208737380 1117929307 /nfs/dbraw/zinc/92/93/07/1117929307.db2.gz ZGFOYMDVRMBZSO-UHFFFAOYSA-N 0 1 259.393 3.684 20 0 CHADMN CC(C)CN(Cc1csc(-c2ccccn2)n1)C1CC1 ZINC000111683445 1125482941 /nfs/dbraw/zinc/48/29/41/1125482941.db2.gz QVZVGZKQBNCDHZ-UHFFFAOYSA-N 0 1 287.432 3.826 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263432767 962608214 /nfs/dbraw/zinc/60/82/14/962608214.db2.gz SRSQAHCVDCITKT-OAHLLOKOSA-N 0 1 275.392 3.643 20 0 CHADMN Cc1oc(C[N@H+](C)C[C@H]2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC001353899419 962668648 /nfs/dbraw/zinc/66/86/48/962668648.db2.gz MROWHVUTDDZYRR-AAEUAGOBSA-N 0 1 279.380 3.544 20 0 CHADMN CN(Cc1cccn1C)Cc1ccc(C2CC2)cc1 ZINC000459334782 1125484071 /nfs/dbraw/zinc/48/40/71/1125484071.db2.gz ATCAUFHDHPDPEQ-UHFFFAOYSA-N 0 1 254.377 3.535 20 0 CHADMN CCn1cc(CN[C@@H](C)c2ccc(F)c(Cl)c2)cn1 ZINC000112097374 1125484271 /nfs/dbraw/zinc/48/42/71/1125484271.db2.gz WQEHFQUBOSWBRN-JTQLQIEISA-N 0 1 281.762 3.546 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1csc(N(C)C2CC2)n1 ZINC000130709814 1125484859 /nfs/dbraw/zinc/48/48/59/1125484859.db2.gz IEOGUGIUBYLFTD-VXGBXAGGSA-N 0 1 279.453 3.505 20 0 CHADMN CCCc1nc(CN(C)[C@@H]2CC[C@H](SC)C2)cs1 ZINC000075919720 1117999456 /nfs/dbraw/zinc/99/94/56/1117999456.db2.gz OGVUJVBMZHAPHA-OLZOCXBDSA-N 0 1 284.494 3.812 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](NCc1cncn1C)C(C)C ZINC000112203975 1125485412 /nfs/dbraw/zinc/48/54/12/1125485412.db2.gz QOTJZJGVJXAQJL-KRWDZBQOSA-N 0 1 297.402 3.962 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000307816321 963228258 /nfs/dbraw/zinc/22/82/58/963228258.db2.gz MJECABLDEHFERA-LBPRGKRZSA-N 0 1 279.380 3.544 20 0 CHADMN C[C@@H]1CCC[C@@H](C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000312676949 963583272 /nfs/dbraw/zinc/58/32/72/963583272.db2.gz CJERCSMHSNYLAJ-CHWSQXEVSA-N 0 1 273.376 3.527 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000316118840 963978122 /nfs/dbraw/zinc/97/81/22/963978122.db2.gz STJXLKWWLCJGMD-ROUUACIJSA-N 0 1 295.382 3.822 20 0 CHADMN CC[C@@H]1CCC[C@@H](C[N@H+]2CCCCC[C@@H]2C(=O)[O-])C1 ZINC000394539436 972719615 /nfs/dbraw/zinc/71/96/15/972719615.db2.gz RNYSXHNNGBVUED-RBSFLKMASA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@@H]1CCC[C@H](C[N@H+]2CCCCC[C@H]2C(=O)[O-])C1 ZINC000394539432 972719968 /nfs/dbraw/zinc/71/99/68/972719968.db2.gz RNYSXHNNGBVUED-ILXRZTDVSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1cccc([C@H]([NH2+]Cc2cc(Cl)cs2)C(=O)[O-])c1 ZINC001605328899 973191191 /nfs/dbraw/zinc/19/11/91/973191191.db2.gz FTTOGNWUNAUHOO-ZDUSSCGKSA-N 0 1 295.791 3.625 20 0 CHADMN C[N@@H+](CCC(C)(C)C)Cc1cccc(C(=O)[O-])c1Cl ZINC000399795740 973240885 /nfs/dbraw/zinc/24/08/85/973240885.db2.gz NQLFWEXDGSCOPX-UHFFFAOYSA-N 0 1 283.799 3.906 20 0 CHADMN O=C([O-])CCC[N@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC001606171814 973419977 /nfs/dbraw/zinc/41/99/77/973419977.db2.gz ISYGBUVEBWCBAJ-CQSZACIVSA-N 0 1 281.783 3.732 20 0 CHADMN C[N@H+](Cc1cccc(C(=O)[O-])c1Cl)C[C@H]1CC=CCC1 ZINC000402603891 973630380 /nfs/dbraw/zinc/63/03/80/973630380.db2.gz QQYBHMYTBGOKOM-LBPRGKRZSA-N 0 1 293.794 3.826 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2)CCc2ccccc21 ZINC000404722815 973744577 /nfs/dbraw/zinc/74/45/77/973744577.db2.gz VSOUCTIDRVSCTE-CQSZACIVSA-N 0 1 295.382 3.547 20 0 CHADMN Cc1sccc1C[NH2+][C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000417566691 973962120 /nfs/dbraw/zinc/96/21/20/973962120.db2.gz RJGSJUJFOGEUPG-OAHLLOKOSA-N 0 1 289.400 3.589 20 0 CHADMN CC(C)c1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000426834071 974050417 /nfs/dbraw/zinc/05/04/17/974050417.db2.gz NKYDNYXDNUYWAQ-OAHLLOKOSA-N 0 1 289.400 3.787 20 0 CHADMN CC[N@@H+](Cc1ccc(C)cc1)Cc1cccc(C(=O)[O-])c1 ZINC001603747457 974190804 /nfs/dbraw/zinc/19/08/04/974190804.db2.gz RYIFNIMICHYQLH-UHFFFAOYSA-N 0 1 283.371 3.715 20 0 CHADMN CC(C)C[C@@H](C)C[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530167378 974359963 /nfs/dbraw/zinc/35/99/63/974359963.db2.gz AMUMWCCTNGAOPH-GFCCVEGCSA-N 0 1 293.382 3.564 20 0 CHADMN CCc1ccc2c(c1)CC[N@H+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC001603975608 974469425 /nfs/dbraw/zinc/46/94/25/974469425.db2.gz XUSKOZPPAYLEKR-UHFFFAOYSA-N 0 1 295.382 3.506 20 0 CHADMN Cc1c(C)c(C)c(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c(C)c1C ZINC000565112143 974574779 /nfs/dbraw/zinc/57/47/79/974574779.db2.gz WHJSDRIXAPBWDR-GOSISDBHSA-N 0 1 289.419 3.525 20 0 CHADMN O=C([O-])[C@@H](c1ccsc1)[N@H+]1CCC2(C1)CCCCC2 ZINC000566920162 974624592 /nfs/dbraw/zinc/62/45/92/974624592.db2.gz ITISQZPRHYYHGB-CYBMUJFWSA-N 0 1 279.405 3.530 20 0 CHADMN O=C([O-])C1(C[N@H+]2CCC[C@H]2c2cccc3ccccc32)CC1 ZINC000568059580 974655646 /nfs/dbraw/zinc/65/56/46/974655646.db2.gz FPJILGOJRTWSJB-KRWDZBQOSA-N 0 1 295.382 3.842 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H]2CC(C)(C)C)oc1C(=O)[O-] ZINC000568522391 974673187 /nfs/dbraw/zinc/67/31/87/974673187.db2.gz VRTQQBLZCPQDHF-GFCCVEGCSA-N 0 1 279.380 3.687 20 0 CHADMN CC(C)C[N@@H+](C)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000568871015 974679512 /nfs/dbraw/zinc/67/95/12/974679512.db2.gz BHQOGSPCAMSBTL-GFCCVEGCSA-N 0 1 290.190 3.707 20 0 CHADMN O=C([O-])C1(C[N@H+]2CCCCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000573571873 974768129 /nfs/dbraw/zinc/76/81/29/974768129.db2.gz HYNZOIXOAMMYFN-DVQDXYAYSA-N 0 1 299.414 3.809 20 0 CHADMN CC(C)C[N@H+](CCC(=O)[O-])CCC1C[C@@H](C)C[C@H](C)C1 ZINC000580955530 974902664 /nfs/dbraw/zinc/90/26/64/974902664.db2.gz GFYBSUMKIHSLRU-GJZGRUSLSA-N 0 1 283.456 3.882 20 0 CHADMN CC(C)C[N@H+](CCC(=O)[O-])CC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000580955532 974902777 /nfs/dbraw/zinc/90/27/77/974902777.db2.gz GFYBSUMKIHSLRU-ZSHCYNCHSA-N 0 1 283.456 3.882 20 0 CHADMN CCc1ccc([C@H]2CC[N@@H+](Cc3ccoc3C(=O)[O-])C2)cc1 ZINC000582253150 974923196 /nfs/dbraw/zinc/92/31/96/974923196.db2.gz KVBVKGDGJSQIEW-HNNXBMFYSA-N 0 1 299.370 3.530 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000583636181 974943817 /nfs/dbraw/zinc/94/38/17/974943817.db2.gz LNHWJXWPUVXTFS-FUHWJXTLSA-N 0 1 289.419 3.539 20 0 CHADMN CCC[C@H](C)CCC[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000629360238 975082255 /nfs/dbraw/zinc/08/22/55/975082255.db2.gz NVUUHBZJNRETET-VGWMRTNUSA-N 0 1 281.440 3.921 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000629360588 975083479 /nfs/dbraw/zinc/08/34/79/975083479.db2.gz SXFBFPQSVCTELZ-WMLDXEAASA-N 0 1 289.419 3.714 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000634697722 975275223 /nfs/dbraw/zinc/27/52/23/975275223.db2.gz QAVRVHHAPXYHIR-GXTWGEPZSA-N 0 1 291.391 3.941 20 0 CHADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+](C)C[C@H](C)C(C)(C)C ZINC000634697715 975275315 /nfs/dbraw/zinc/27/53/15/975275315.db2.gz PPTLCTJNIYBZPN-ZFWWWQNUSA-N 0 1 277.408 3.735 20 0 CHADMN O=C([O-])[C@@H](c1ccsc1)[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000634697956 975276169 /nfs/dbraw/zinc/27/61/69/975276169.db2.gz WTAFIAZOKXPRED-DZGCQCFKSA-N 0 1 293.432 3.776 20 0 CHADMN CC1CCC([N@@H+](Cc2ccc(C(=O)[O-])s2)C2CC2)CC1 ZINC000652396657 975520979 /nfs/dbraw/zinc/52/09/79/975520979.db2.gz NPWMIMAVRALGEH-UHFFFAOYSA-N 0 1 293.432 3.989 20 0 CHADMN CCC[N@H+](Cc1ccoc1C(=O)[O-])CC1CCCCC1 ZINC000652400364 975522703 /nfs/dbraw/zinc/52/27/03/975522703.db2.gz PTUMXQWIMIJCGH-UHFFFAOYSA-N 0 1 279.380 3.770 20 0 CHADMN C[N@@H+](CCC(C)(C)C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000652416806 975526533 /nfs/dbraw/zinc/52/65/33/975526533.db2.gz FEZOCWMHSXLQEP-UHFFFAOYSA-N 0 1 283.799 3.906 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCCC(CC)(CC)CC1 ZINC000652445245 975536501 /nfs/dbraw/zinc/53/65/01/975536501.db2.gz NWKPVMRXPKUKMF-CQSZACIVSA-N 0 1 269.429 3.922 20 0 CHADMN CC(C)(CC[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21)C1CC1 ZINC000656763659 975692950 /nfs/dbraw/zinc/69/29/50/975692950.db2.gz CHUDVQHGFXMJQQ-OWCLPIDISA-N 0 1 293.451 3.778 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC23CCC(CC2)C3)[C@@H]2CCCC[C@@H]12 ZINC000656764740 975696782 /nfs/dbraw/zinc/69/67/82/975696782.db2.gz HEAWHCDEFCKNNT-HNCZQISISA-N 0 1 291.435 3.532 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@H+](CC1CCC(F)(F)CC1)C2 ZINC000659790970 975878456 /nfs/dbraw/zinc/87/84/56/975878456.db2.gz WNYVNKMEZDXTGX-UHFFFAOYSA-N 0 1 295.329 3.526 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CCC1CCC1)CC(=O)[O-] ZINC000659793411 975881841 /nfs/dbraw/zinc/88/18/41/975881841.db2.gz VRSMLSVJBXFLQM-INIZCTEOSA-N 0 1 275.392 3.715 20 0 CHADMN O=C([O-])CC1(C[N@H+]2CCC[C@H](C3CCCCC3)C2)CC1 ZINC000659803526 975893701 /nfs/dbraw/zinc/89/37/01/975893701.db2.gz KBHVDKHSCKVJHT-HNNXBMFYSA-N 0 1 279.424 3.534 20 0 CHADMN C[N@H+](Cc1cc(C(=O)[O-])ccc1Cl)C[C@@H]1CC1(C)C ZINC000663317339 975943840 /nfs/dbraw/zinc/94/38/40/975943840.db2.gz LUVHRDUOHVCXOT-LBPRGKRZSA-N 0 1 281.783 3.516 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000663317086 975943866 /nfs/dbraw/zinc/94/38/66/975943866.db2.gz KPCFNAJNQHIRCQ-XLNGHYISSA-N 0 1 287.403 3.570 20 0 CHADMN CC[C@H]1CCCCC[N@H+]1Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701834196 977048505 /nfs/dbraw/zinc/04/85/05/977048505.db2.gz OEAZWCNQEZQAED-HNNXBMFYSA-N 0 1 275.392 3.848 20 0 CHADMN COc1cc(CNCc2ccc(Cl)o2)ccc1C ZINC000065977053 1118340653 /nfs/dbraw/zinc/34/06/53/1118340653.db2.gz LSRGZXHLKFLVQO-UHFFFAOYSA-N 0 1 265.740 3.540 20 0 CHADMN O=C([O-])Cc1ccccc1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000846246239 979422129 /nfs/dbraw/zinc/42/21/29/979422129.db2.gz KMSWRKXBVCUYAQ-LJQANCHMSA-N 0 1 299.414 3.636 20 0 CHADMN C/C(=C/C[N@H+]1CCCCC[C@@H]1c1cccc(C)c1)C(=O)[O-] ZINC000846249439 979424743 /nfs/dbraw/zinc/42/47/43/979424743.db2.gz OVRSKWODCPHLCR-XBNGYDHASA-N 0 1 287.403 3.943 20 0 CHADMN C/C(=C\C[N@H+]1CCCCC[C@@H]1/C=C/c1ccccc1)C(=O)[O-] ZINC000846256311 979428334 /nfs/dbraw/zinc/42/83/34/979428334.db2.gz MIQUFSAOXRDHCU-JMRBWADYSA-N 0 1 299.414 3.975 20 0 CHADMN CCC(CC)CCC[N@@H+](C)Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC001595109673 979445021 /nfs/dbraw/zinc/44/50/21/979445021.db2.gz KMANJGTWUJVOSQ-UHFFFAOYSA-N 0 1 280.412 3.670 20 0 CHADMN CC[C@H](C)CN(C)Cc1coc(-c2cccs2)n1 ZINC000111255238 1118389716 /nfs/dbraw/zinc/38/97/16/1118389716.db2.gz UZVDIEAPUZXBHY-NSHDSACASA-N 0 1 264.394 3.881 20 0 CHADMN CO[C@@H](c1ccccc1)[C@H](C)NCc1ccc(Cl)o1 ZINC000683815243 1118383880 /nfs/dbraw/zinc/38/38/80/1118383880.db2.gz BOGFSBYFNLIVFZ-XHDPSFHLSA-N 0 1 279.767 3.799 20 0 CHADMN C[C@H](C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21)C(C)(C)C ZINC000872162378 980052305 /nfs/dbraw/zinc/05/23/05/980052305.db2.gz PDYUJYYSZMWCEH-KBXIAJHMSA-N 0 1 281.440 3.634 20 0 CHADMN O=C([O-])c1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)cc1 ZINC000883519529 980206387 /nfs/dbraw/zinc/20/63/87/980206387.db2.gz UUABMOHALXCJDB-DLBZAZTESA-N 0 1 299.345 3.500 20 0 CHADMN CC1(C)CCC[C@@H](C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)C1 ZINC000901554138 980379866 /nfs/dbraw/zinc/37/98/66/980379866.db2.gz XXPSWOLDEVDJTK-LSDHHAIUSA-N 0 1 281.440 3.780 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@@H](C)c1cc(F)cc(F)c1 ZINC000901591747 980396551 /nfs/dbraw/zinc/39/65/51/980396551.db2.gz HYAQWWGLLCNQCA-GFCCVEGCSA-N 0 1 299.361 3.501 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000901591720 980396645 /nfs/dbraw/zinc/39/66/45/980396645.db2.gz GVIFJHULMOKBCG-SJLPKXTDSA-N 0 1 289.419 3.613 20 0 CHADMN CCSc1cccc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])c1 ZINC000902039569 980710035 /nfs/dbraw/zinc/71/00/35/980710035.db2.gz ZOBIUTLFWLCLCO-HNNXBMFYSA-N 0 1 293.432 3.628 20 0 CHADMN Cc1ccoc1C[N@H+](C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000902244982 980797130 /nfs/dbraw/zinc/79/71/30/980797130.db2.gz DFBXTSOFCGETFF-UHFFFAOYSA-N 0 1 293.750 3.572 20 0 CHADMN CC[C@@]1(C)CC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)C1 ZINC000902350762 980845178 /nfs/dbraw/zinc/84/51/78/980845178.db2.gz VZVRUPNGUJMREG-SFHVURJKSA-N 0 1 298.386 3.555 20 0 CHADMN CCC1(CC)CC[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001595375184 980893017 /nfs/dbraw/zinc/89/30/17/980893017.db2.gz XINXFACBJGKXQT-AWEZNQCLSA-N 0 1 295.810 3.978 20 0 CHADMN C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902511557 980915418 /nfs/dbraw/zinc/91/54/18/980915418.db2.gz JPDBNQLMBVIFJR-TVRMLOFPSA-N 0 1 291.372 3.632 20 0 CHADMN CC[C@@H]1c2ccsc2CC[N@@H+]1CCC(C)(C)C(=O)[O-] ZINC000902512334 980915697 /nfs/dbraw/zinc/91/56/97/980915697.db2.gz KLVXZIKQQQYBEF-GFCCVEGCSA-N 0 1 281.421 3.558 20 0 CHADMN O=C([O-])/C=C\c1ccc(C[N@@H+](C2CC2)C2CCCCC2)o1 ZINC000902514321 980916604 /nfs/dbraw/zinc/91/66/04/980916604.db2.gz AZONUOOICNKJGF-KHPPLWFESA-N 0 1 289.375 3.675 20 0 CHADMN CCc1oc(C[N@H+]2CCCC[C@@H]2C(C)C)cc1C(=O)[O-] ZINC000902518600 980917527 /nfs/dbraw/zinc/91/75/27/980917527.db2.gz OSJCONNHIWBSBB-CQSZACIVSA-N 0 1 279.380 3.551 20 0 CHADMN C[N@@H+](Cc1ccc(/C=C\C(=O)[O-])o1)C1CCCCCCC1 ZINC000902519520 980918269 /nfs/dbraw/zinc/91/82/69/980918269.db2.gz PIJVYURXGBQYRB-QXMHVHEDSA-N 0 1 291.391 3.922 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCC(C)(C)C(=O)[O-])o1 ZINC000902524536 980920994 /nfs/dbraw/zinc/92/09/94/980920994.db2.gz UYJVSTAHQPXPHH-TZMCWYRMSA-N 0 1 293.407 3.862 20 0 CHADMN O=C([O-])/C=C/c1ccc(C[N@H+]2CCCC[C@@H]2C2CCC2)o1 ZINC000902535350 980926380 /nfs/dbraw/zinc/92/63/80/980926380.db2.gz YWQXVDNEZIJKNY-ZNFPLGDCSA-N 0 1 289.375 3.532 20 0 CHADMN Cc1oc(C[N@H+]2CCCC23CCCCC3)cc1C(=O)[O-] ZINC000902542902 980926857 /nfs/dbraw/zinc/92/68/57/980926857.db2.gz KTGGGVSDYYTESK-UHFFFAOYSA-N 0 1 277.364 3.585 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3cc(C(=O)[O-])co3)C2)cc1 ZINC000902546107 980928196 /nfs/dbraw/zinc/92/81/96/980928196.db2.gz RHINEVUYHQCEFP-DZGCQCFKSA-N 0 1 299.370 3.664 20 0 CHADMN C[C@H](C1CC1)[N@@H+](C)Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000902553083 980931267 /nfs/dbraw/zinc/93/12/67/980931267.db2.gz FWQSBJIMXBTOIU-GFCCVEGCSA-N 0 1 299.370 3.875 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000903593994 980978186 /nfs/dbraw/zinc/97/81/86/980978186.db2.gz AXZZRPBIIXCPAO-GDBMZVCRSA-N 0 1 291.435 3.704 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000903597497 980980657 /nfs/dbraw/zinc/98/06/57/980980657.db2.gz NLKGDFPGOGKPAW-DPAVQSFQSA-N 0 1 289.419 3.672 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@H+](CC[C@H]1CCCC1(F)F)C2 ZINC000903607458 980988454 /nfs/dbraw/zinc/98/84/54/980988454.db2.gz BVIYHOXUNZXEGQ-CQSZACIVSA-N 0 1 295.329 3.526 20 0 CHADMN CC(C)C[N@@H+](Cc1ccc(F)cc1F)CC(C)(C)C(=O)[O-] ZINC000903620962 980997770 /nfs/dbraw/zinc/99/77/70/980997770.db2.gz KNHDTYKCTUVHCC-UHFFFAOYSA-N 0 1 299.361 3.534 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCCC23CCC3)c1Cl ZINC000903631474 981007918 /nfs/dbraw/zinc/00/79/18/981007918.db2.gz NPNOUMLUMQAPEG-UHFFFAOYSA-N 0 1 279.767 3.557 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903881115 981019652 /nfs/dbraw/zinc/01/96/52/981019652.db2.gz DVXNPJLMDKNGEA-BETUJISGSA-N 0 1 298.386 3.696 20 0 CHADMN CC[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)[C@@H]1C ZINC001595463704 981146738 /nfs/dbraw/zinc/14/67/38/981146738.db2.gz DNDJMQMTFCTYIC-GHMZBOCLSA-N 0 1 281.783 3.659 20 0 CHADMN CC(C)(C)c1nc(CSc2cccc(F)c2)n[nH]1 ZINC000430978359 1118803366 /nfs/dbraw/zinc/80/33/66/1118803366.db2.gz IWAJBYRBUPXBBP-UHFFFAOYSA-N 0 1 265.357 3.534 20 0 CHADMN COC[C@H](N[C@H](C)c1ccsc1)c1ccccc1 ZINC000089668871 1118795675 /nfs/dbraw/zinc/79/56/75/1118795675.db2.gz CFAYOTJVTCTVGJ-DOMZBBRYSA-N 0 1 261.390 3.786 20 0 CHADMN CC(C)c1nc(CN(C(C)C)C2CCOCC2)cs1 ZINC000119607408 1118988398 /nfs/dbraw/zinc/98/83/98/1118988398.db2.gz PIHISBOACYQQQQ-UHFFFAOYSA-N 0 1 282.453 3.656 20 0 CHADMN C[C@H](Cc1ccsc1)NCc1nc(C(C)(C)C)co1 ZINC000724427907 1118999155 /nfs/dbraw/zinc/99/91/55/1118999155.db2.gz CRQVUTXPZPDEIS-LLVKDONJSA-N 0 1 278.421 3.754 20 0 CHADMN C[C@@H](NCc1cnc[nH]1)c1cc(Cl)ccc1Cl ZINC000112344565 1125486314 /nfs/dbraw/zinc/48/63/14/1125486314.db2.gz SUNAZXXQLSQRAA-MRVPVSSYSA-N 0 1 270.163 3.567 20 0 CHADMN Fc1ccc(CN2C[C@H]3CC[C@@H]2C3)c(C(F)(F)F)c1 ZINC000092120817 1119087858 /nfs/dbraw/zinc/08/78/58/1119087858.db2.gz GLYYCQIWDLANKF-JOYOIKCWSA-N 0 1 273.273 3.829 20 0 CHADMN CC[N@@H+](CC1CCC1)[C@H](C(=O)[O-])c1ccccc1Cl ZINC001596294232 983715262 /nfs/dbraw/zinc/71/52/62/983715262.db2.gz KJLIZATZFHHZDZ-AWEZNQCLSA-N 0 1 281.783 3.588 20 0 CHADMN CC[N@@H+](CCC1C[C@@H](C)C[C@H](C)C1)C(C)(C)C(=O)[O-] ZINC001596321259 983753799 /nfs/dbraw/zinc/75/37/99/983753799.db2.gz ITZZSZPFKLIWPJ-STQMWFEESA-N 0 1 269.429 3.634 20 0 CHADMN COc1ccc2nc(S[C@@H](C)c3cccnc3)[nH]c2c1 ZINC000048833392 1125488251 /nfs/dbraw/zinc/48/82/51/1125488251.db2.gz IXBUGDJWPRPTFK-JTQLQIEISA-N 0 1 285.372 3.820 20 0 CHADMN CC[C@@H]1CCCN(Cc2nc(C3CC3)cs2)C1 ZINC000342695235 1119128312 /nfs/dbraw/zinc/12/83/12/1119128312.db2.gz PKDDYHGMDJXANW-LLVKDONJSA-N 0 1 250.411 3.643 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])s1)[C@@H]1CCCC[C@H]1C ZINC001596357582 983828561 /nfs/dbraw/zinc/82/85/61/983828561.db2.gz JDGMLTPDZXKSJF-DGCLKSJQSA-N 0 1 281.421 3.847 20 0 CHADMN CC[N@@H+](Cc1cccc(C(=O)[O-])c1)Cc1ccccc1C ZINC001596364509 983848609 /nfs/dbraw/zinc/84/86/09/983848609.db2.gz JSYFZQKMYHPYSF-UHFFFAOYSA-N 0 1 283.371 3.715 20 0 CHADMN CC[N@@H+](Cc1ccnc2c(C(=O)[O-])cccc12)C(C)(C)C ZINC001596375392 983885586 /nfs/dbraw/zinc/88/55/86/983885586.db2.gz YZYXOUZQCMFNBA-UHFFFAOYSA-N 0 1 286.375 3.553 20 0 CHADMN CCCCN(C)Cc1ncc(-c2ccccc2C)o1 ZINC000075589845 1119178313 /nfs/dbraw/zinc/17/83/13/1119178313.db2.gz TYQLJCIQIBGLJS-UHFFFAOYSA-N 0 1 258.365 3.882 20 0 CHADMN CC[C@H]1c2ccsc2CCN1Cc1cccnc1 ZINC000078794164 1119253869 /nfs/dbraw/zinc/25/38/69/1119253869.db2.gz OLYCRVHSBYHZRY-AWEZNQCLSA-N 0 1 258.390 3.653 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)[C@@H]1c1ccccc1 ZINC001594536642 986155916 /nfs/dbraw/zinc/15/59/16/986155916.db2.gz FFRHCKHSZHQHTA-OCEKKPHPSA-N 0 1 297.354 3.570 20 0 CHADMN CCOc1cc(CN2CC[C@@H](C)C2)cc(Cl)c1OC ZINC000092471169 1119562679 /nfs/dbraw/zinc/56/26/79/1119562679.db2.gz BQNHVZLCCRSXBB-LLVKDONJSA-N 0 1 283.799 3.589 20 0 CHADMN CN(C/C=C/c1ccc(F)cc1)CCC(F)(F)F ZINC000092479281 1119562996 /nfs/dbraw/zinc/56/29/96/1119562996.db2.gz XRUJZVIKALDMQB-NSCUHMNNSA-N 0 1 261.262 3.723 20 0 CHADMN COc1cc(CN[C@H](C)c2cc(C)cc(C)c2)sn1 ZINC000399069413 1119644476 /nfs/dbraw/zinc/64/44/76/1119644476.db2.gz RIKVYHCPMNTGKH-GFCCVEGCSA-N 0 1 276.405 3.619 20 0 CHADMN CC[C@@H]([NH2+]Cc1cc(C)c(C(=O)[O-])o1)c1ccccc1F ZINC001597291774 987382853 /nfs/dbraw/zinc/38/28/53/987382853.db2.gz WSLYLAUYMOWUES-CQSZACIVSA-N 0 1 291.322 3.666 20 0 CHADMN CCc1[nH]c(C[N@@H+](C(C)C)C2CCCCC2)cc1C(=O)[O-] ZINC001597380572 987576681 /nfs/dbraw/zinc/57/66/81/987576681.db2.gz QSIMRTZYBFOMEA-UHFFFAOYSA-N 0 1 292.423 3.818 20 0 CHADMN CCc1[nH]c(C[N@H+]([C@H](C)[C@@H](C)CC)C2CC2)cc1C(=O)[O-] ZINC001597380773 987579128 /nfs/dbraw/zinc/57/91/28/987579128.db2.gz XZPXILWGIYKVPU-NWDGAFQWSA-N 0 1 292.423 3.674 20 0 CHADMN CC(C)(C)C1=CC[N@@H+]([C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC001589726532 987910046 /nfs/dbraw/zinc/91/00/46/987910046.db2.gz ISTRATCBCSQMIU-OAHLLOKOSA-N 0 1 291.366 3.630 20 0 CHADMN CC(C)(C)C1=CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC001589726532 987910052 /nfs/dbraw/zinc/91/00/52/987910052.db2.gz ISTRATCBCSQMIU-OAHLLOKOSA-N 0 1 291.366 3.630 20 0 CHADMN CCc1ccc(C[N@H+]2CCc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001597527916 988178035 /nfs/dbraw/zinc/17/80/35/988178035.db2.gz SGOWZSFLESCRGT-UHFFFAOYSA-N 0 1 295.382 3.506 20 0 CHADMN CC[C@H](N[C@H](C)c1cccs1)c1cccc(OC)n1 ZINC000924548232 1119796817 /nfs/dbraw/zinc/79/68/17/1119796817.db2.gz FSOPXRSCEFNTPR-NEPJUHHUSA-N 0 1 276.405 3.954 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](CC(C)C)C1CCCC1 ZINC001597761512 989188131 /nfs/dbraw/zinc/18/81/31/989188131.db2.gz IMIJSURLLYTIQO-UHFFFAOYSA-N 0 1 293.407 3.941 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2cc(C)sc2C)cn1 ZINC000414274338 1119962868 /nfs/dbraw/zinc/96/28/68/1119962868.db2.gz URLDSVOJCZZFDA-NSHDSACASA-N 0 1 275.421 3.568 20 0 CHADMN Cc1ccc([C@H]2CCN(Cc3nc(C(C)C)no3)C2)c(C)c1 ZINC000348305396 1125507604 /nfs/dbraw/zinc/50/76/04/1125507604.db2.gz KCWRXEITMORPPC-HNNXBMFYSA-N 0 1 299.418 3.799 20 0 CHADMN CC(C)[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C(=O)[O-])s2)[C@H]1C(C)C ZINC001591093364 991657499 /nfs/dbraw/zinc/65/74/99/991657499.db2.gz RHQXABRNOBBBRB-GVXVVHGQSA-N 0 1 296.436 3.515 20 0 CHADMN CC(C)[C@@H]1[C@@H](C(C)C)C[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC001591096466 991686907 /nfs/dbraw/zinc/68/69/07/991686907.db2.gz FKPOCQDQISYZPT-ZIAGYGMSSA-N 0 1 281.421 3.559 20 0 CHADMN C[N@@H+](C[C@@H]1CCCCC1(C)C)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598455580 991932482 /nfs/dbraw/zinc/93/24/82/991932482.db2.gz RIHKCSIXGOSFMU-JKSUJKDBSA-N 0 1 289.419 3.961 20 0 CHADMN CC(C)C[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2)C1 ZINC001591207483 992040920 /nfs/dbraw/zinc/04/09/20/992040920.db2.gz NRUZYCQRICDXAF-GDBMZVCRSA-N 0 1 275.392 3.570 20 0 CHADMN C[N@@H+](CCCCC(=O)[O-])[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001598475921 992077148 /nfs/dbraw/zinc/07/71/48/992077148.db2.gz QTMHRSZFVITSBR-DLBZAZTESA-N 0 1 289.419 3.900 20 0 CHADMN C[N@@H+](Cc1cccc(C(C)(C)C)c1)C1(C(=O)[O-])CCCC1 ZINC001598527631 992739968 /nfs/dbraw/zinc/73/99/68/992739968.db2.gz OHQCKVVSCCVCGY-UHFFFAOYSA-N 0 1 289.419 3.813 20 0 CHADMN CC(C)OCCCN1CC[C@H]1c1ccc(Cl)cc1 ZINC000511559440 1120340142 /nfs/dbraw/zinc/34/01/42/1120340142.db2.gz ZYBCCMYZQFQAPZ-HNNXBMFYSA-N 0 1 267.800 3.902 20 0 CHADMN Fc1ccc(Cl)cc1CN1CCC2(CC2)CC1 ZINC000682531368 1120417399 /nfs/dbraw/zinc/41/73/99/1120417399.db2.gz DEJVTPLYCMEHND-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN CO[C@H](CN[C@@H](C)c1nc2c(s1)CCCC2)CC(C)C ZINC000417367961 1120438978 /nfs/dbraw/zinc/43/89/78/1120438978.db2.gz OILJVUURBDENNS-STQMWFEESA-N 0 1 296.480 3.734 20 0 CHADMN CCC[C@@H](C)C[C@H]([NH2+]Cc1ncc(C(C)C)s1)C(=O)[O-] ZINC000417558054 1120457538 /nfs/dbraw/zinc/45/75/38/1120457538.db2.gz DPEGVRFAUMVEKJ-NEPJUHHUSA-N 0 1 298.452 3.636 20 0 CHADMN Cc1cc(CO)cc(C)c1CNCc1ccsc1Cl ZINC000922559466 1120550186 /nfs/dbraw/zinc/55/01/86/1120550186.db2.gz CHDXODMHKBDNMI-UHFFFAOYSA-N 0 1 295.835 3.800 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(F)cc2C)sn1 ZINC000922667909 1120575583 /nfs/dbraw/zinc/57/55/83/1120575583.db2.gz UVKJTHUFSUTYHG-LLVKDONJSA-N 0 1 264.369 3.750 20 0 CHADMN C[C@H]1CCC[N@@H+](Cn2c3ccccc3oc2=S)C1 ZINC000220516677 1120626762 /nfs/dbraw/zinc/62/67/62/1120626762.db2.gz QOCFNZQPEODSQN-NSHDSACASA-N 0 1 262.378 3.653 20 0 CHADMN C[C@H]1CCCN(Cn2c3ccccc3oc2=S)C1 ZINC000220516677 1120626768 /nfs/dbraw/zinc/62/67/68/1120626768.db2.gz QOCFNZQPEODSQN-NSHDSACASA-N 0 1 262.378 3.653 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(Cl)n2)CC1(C)C ZINC000759923349 1120665531 /nfs/dbraw/zinc/66/55/31/1120665531.db2.gz PKIDTBQOUBXZBB-LLVKDONJSA-N 0 1 252.789 3.603 20 0 CHADMN CC1(C)CCCC[C@@H]1C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC001593903468 996774079 /nfs/dbraw/zinc/77/40/79/996774079.db2.gz BFQTWSJGPLRVFC-KGLIPLIRSA-N 0 1 267.413 3.532 20 0 CHADMN CC1(C)CCCC[C@@H]1C[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC001593904592 996782569 /nfs/dbraw/zinc/78/25/69/996782569.db2.gz HWBYWSWYLPKEDL-CQSZACIVSA-N 0 1 281.440 3.922 20 0 CHADMN CC1(C)C[N@H+]([C@@H](C(=O)[O-])c2ccccc2)Cc2ccccc21 ZINC001593940919 996953324 /nfs/dbraw/zinc/95/33/24/996953324.db2.gz TZHCKXKMTLTHQH-QGZVFWFLSA-N 0 1 295.382 3.606 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1C[C@H]2COC[C@]2(C)C1 ZINC000661698635 1120795903 /nfs/dbraw/zinc/79/59/03/1120795903.db2.gz GOUSVGGFOVWJIJ-GMXABZIVSA-N 0 1 283.774 3.508 20 0 CHADMN C[C@H]1CCC[C@H](N(C)Cc2noc3c2CCCC3)C1 ZINC000171732257 1120901023 /nfs/dbraw/zinc/90/10/23/1120901023.db2.gz YPEKZVVBXMYESF-STQMWFEESA-N 0 1 262.397 3.564 20 0 CHADMN C[C@@H]1CCC[C@H](N(C)Cc2noc3c2CCCC3)C1 ZINC000171732252 1120901642 /nfs/dbraw/zinc/90/16/42/1120901642.db2.gz YPEKZVVBXMYESF-OLZOCXBDSA-N 0 1 262.397 3.564 20 0 CHADMN C[C@@H]1c2ccsc2CCN1CCC(=O)C(C)(C)C ZINC000054026547 1121017919 /nfs/dbraw/zinc/01/79/19/1121017919.db2.gz KINLTRHYKWAYRY-LLVKDONJSA-N 0 1 265.422 3.673 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC001594269667 999042061 /nfs/dbraw/zinc/04/20/61/999042061.db2.gz MCSYVXCXNIAUES-DOMZBBRYSA-N 0 1 285.343 3.561 20 0 CHADMN C[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001594330200 999269229 /nfs/dbraw/zinc/26/92/29/999269229.db2.gz LMPFLUCZRZQILA-SUMWQHHRSA-N 0 1 298.386 3.686 20 0 CHADMN FC1(F)CCCN(Cc2cccc(Cl)c2)CC1 ZINC000625767020 1121489132 /nfs/dbraw/zinc/48/91/32/1121489132.db2.gz YSMBVDZDFLPMGT-UHFFFAOYSA-N 0 1 259.727 3.961 20 0 CHADMN C[C@@H]1CC(F)(F)CCN1CCc1ccc(F)c(F)c1 ZINC000625980018 1121566986 /nfs/dbraw/zinc/56/69/86/1121566986.db2.gz VANRSDAIVVDKOI-SNVBAGLBSA-N 0 1 275.289 3.627 20 0 CHADMN CN(Cc1cc(F)ncc1F)C1CCCCCCC1 ZINC001179859539 1121921886 /nfs/dbraw/zinc/92/18/86/1121921886.db2.gz RCMVSLYVWLQATQ-UHFFFAOYSA-N 0 1 268.351 3.905 20 0 CHADMN CCC[C@H](C)N(C)Cc1c(F)cccc1OCC ZINC001180275456 1121968412 /nfs/dbraw/zinc/96/84/12/1121968412.db2.gz QWRAFXAHJAHEMY-LBPRGKRZSA-N 0 1 253.361 3.845 20 0 CHADMN Cc1cncc(CN2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420944725 1122047110 /nfs/dbraw/zinc/04/71/10/1122047110.db2.gz JVOFPDQMHXCGQG-LBPRGKRZSA-N 0 1 272.314 3.554 20 0 CHADMN CCC[C@@H](CN1CC[C@@H]1c1ccc(Cl)cc1)OC ZINC001181708599 1122070540 /nfs/dbraw/zinc/07/05/40/1122070540.db2.gz YDRSGMCKURJXAF-LSDHHAIUSA-N 0 1 267.800 3.902 20 0 CHADMN CC(C)Cc1ccc(CN[C@@H]2CCCC[C@H]2F)cn1 ZINC001182344481 1122143529 /nfs/dbraw/zinc/14/35/29/1122143529.db2.gz KGGUVYIFOREROO-HZPDHXFCSA-N 0 1 264.388 3.650 20 0 CHADMN FC[C@H]1CCCN(Cc2ccccc2Br)C1 ZINC000711511112 1122297744 /nfs/dbraw/zinc/29/77/44/1122297744.db2.gz VTZSUJXUUPQZDL-LLVKDONJSA-N 0 1 286.188 3.631 20 0 CHADMN CC(C)[PH+](CCNC(=O)c1ccc([O-])c(F)c1)C(C)C ZINC001186243059 1122380955 /nfs/dbraw/zinc/38/09/55/1122380955.db2.gz WMDZTAIWVGFOAJ-UHFFFAOYSA-N 0 1 299.326 3.560 20 0 CHADMN CCCN(CCc1cccs1)Cc1ncc(CC)o1 ZINC000514900329 1122462274 /nfs/dbraw/zinc/46/22/74/1122462274.db2.gz RYAGYSRUMUMZKB-UHFFFAOYSA-N 0 1 278.421 3.753 20 0 CHADMN C[C@@H]1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1(C)C ZINC000436954401 1122599159 /nfs/dbraw/zinc/59/91/59/1122599159.db2.gz GJAOOAVJNVTTSX-SNVBAGLBSA-N 0 1 281.783 3.554 20 0 CHADMN CC(C)(C)CC(C)(C)NC(=O)c1c(O)ccc(F)c1F ZINC001192787944 1122659182 /nfs/dbraw/zinc/65/91/82/1122659182.db2.gz WOSWFBZLOVPSNO-UHFFFAOYSA-N 0 1 285.334 3.615 20 0 CHADMN Cc1cccc([C@@H](NCc2cc[nH]n2)C(C)(C)C)c1 ZINC000294926157 1122737659 /nfs/dbraw/zinc/73/76/59/1122737659.db2.gz HBBKXRGVJQPTRA-OAHLLOKOSA-N 0 1 257.381 3.595 20 0 CHADMN COC(=O)c1cnc([C@@H](C)NC[C@@H](C)CC(C)(C)C)s1 ZINC001195334255 1122865843 /nfs/dbraw/zinc/86/58/43/1122865843.db2.gz NYNTXVITBRWPFS-WDEREUQCSA-N 0 1 298.452 3.653 20 0 CHADMN Clc1ncsc1CN(CCC1CC1)CC1CC1 ZINC001196376629 1122919620 /nfs/dbraw/zinc/91/96/20/1122919620.db2.gz YGDIRYBJPOFFQJ-UHFFFAOYSA-N 0 1 270.829 3.809 20 0 CHADMN Cc1ccc(O)c(N=C2CCC(C(F)(F)F)CC2)n1 ZINC001196766792 1122931980 /nfs/dbraw/zinc/93/19/80/1122931980.db2.gz GZJNTACHWGRVNW-SECBINFHSA-N 0 1 272.270 3.754 20 0 CHADMN CC[C@@H](F)CN1CCSC[C@@H]1c1ccccc1 ZINC000440699377 1123030208 /nfs/dbraw/zinc/03/02/08/1123030208.db2.gz SNFDHPLEFWOQEE-ZIAGYGMSSA-N 0 1 253.386 3.525 20 0 CHADMN CC(C)CC[C@@H]1CC[C@@H](NCc2nn(C)cc2Cl)C1 ZINC001202475483 1123230112 /nfs/dbraw/zinc/23/01/12/1123230112.db2.gz WQHPIBPBHFTFDD-CHWSQXEVSA-N 0 1 283.847 3.768 20 0 CHADMN Oc1ccc(Cl)cc1-c1nc(C2CC(F)(F)C2)no1 ZINC000334528618 1123243999 /nfs/dbraw/zinc/24/39/99/1123243999.db2.gz KKBRCRCBWUWKOA-UHFFFAOYSA-N 0 1 286.665 3.608 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncc(Br)c1)c1ccc[nH]1 ZINC000850448762 1123268363 /nfs/dbraw/zinc/26/83/63/1123268363.db2.gz PHBBGXFMANEXBZ-VHSXEESVSA-N 0 1 294.196 3.584 20 0 CHADMN Cc1nc(SCCOC(F)F)[nH]c1-c1ccccc1 ZINC000853019883 1123419800 /nfs/dbraw/zinc/41/98/00/1123419800.db2.gz MNPWRLJOFBIPGA-UHFFFAOYSA-N 0 1 284.331 3.716 20 0 CHADMN C[C@H](NCc1ccc(C(F)F)nc1)c1ccsc1 ZINC000631127511 1123470847 /nfs/dbraw/zinc/47/08/47/1123470847.db2.gz GIJMWDFOHHWSKF-VIFPVBQESA-N 0 1 268.332 3.932 20 0 CHADMN CCOC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000113939772 1123476370 /nfs/dbraw/zinc/47/63/70/1123476370.db2.gz WLMVNISFRCKICQ-GFCCVEGCSA-N 0 1 285.790 3.728 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000113939772 1123476375 /nfs/dbraw/zinc/47/63/75/1123476375.db2.gz WLMVNISFRCKICQ-GFCCVEGCSA-N 0 1 285.790 3.728 20 0 CHADMN Cc1noc(C)c1CN(C)CCSc1ccccc1 ZINC000114207015 1123559921 /nfs/dbraw/zinc/55/99/21/1123559921.db2.gz ZELPMZJEWBYCOL-UHFFFAOYSA-N 0 1 276.405 3.516 20 0 CHADMN C[C@H]1CCCC[C@H]1CNC(=O)c1ccc(O)c(Cl)c1 ZINC000042462639 1123787008 /nfs/dbraw/zinc/78/70/08/1123787008.db2.gz RBPQDLMRNCNHBA-JQWIXIFHSA-N 0 1 281.783 3.602 20 0 CHADMN CN(C)Cc1ccc(NC[C@]2(C)CCCS2)cc1F ZINC000862261860 1123796446 /nfs/dbraw/zinc/79/64/46/1123796446.db2.gz GPRJITTZVWLZMD-HNNXBMFYSA-N 0 1 282.428 3.585 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCOCC(C)C)n2)cc1 ZINC000865346535 1123972165 /nfs/dbraw/zinc/97/21/65/1123972165.db2.gz LXPQFWRBEZHPHO-UHFFFAOYSA-N 0 1 277.393 3.502 20 0 CHADMN C[C@H]1CC[C@H](NC(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000444462873 1124037893 /nfs/dbraw/zinc/03/78/93/1124037893.db2.gz FKQUIKYMNOYGGP-CBAPKCEASA-N 0 1 288.174 3.617 20 0 CHADMN CCCN(CCC)C(=O)CN[C@H](C)c1cc(C)sc1C ZINC000195585708 1124066148 /nfs/dbraw/zinc/06/61/48/1124066148.db2.gz UUKUGFSLRVJXPE-CYBMUJFWSA-N 0 1 296.480 3.664 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(C(C)(C)C)on1 ZINC000429709885 1124134504 /nfs/dbraw/zinc/13/45/04/1124134504.db2.gz SOTNYTNOBNUFFH-ZDUSSCGKSA-N 0 1 250.386 3.737 20 0 CHADMN CC[C@H](CO)N(C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000449378741 1124715936 /nfs/dbraw/zinc/71/59/36/1124715936.db2.gz XNGKHVUANQZPMD-LLVKDONJSA-N 0 1 295.732 3.562 20 0 CHADMN CC[C@H](C)[C@@H](C)NC(=O)c1cccc(C(F)(F)F)c1O ZINC001136854584 1131463833 /nfs/dbraw/zinc/46/38/33/1131463833.db2.gz CPLRUZCWWRELDO-DTWKUNHWSA-N 0 1 289.297 3.575 20 0 CHADMN CSC(C)(C)CCNC1(c2noc(C)n2)CCCCC1 ZINC000877002092 1124996917 /nfs/dbraw/zinc/99/69/17/1124996917.db2.gz PEIKRQUJLAMOLV-UHFFFAOYSA-N 0 1 297.468 3.659 20 0 CHADMN CCC(CC)(CNCc1nc(C(C)C)c[nH]1)C(F)(F)F ZINC000883197923 1125376290 /nfs/dbraw/zinc/37/62/90/1125376290.db2.gz VZFAFYFWQPVRGM-UHFFFAOYSA-N 0 1 291.361 3.991 20 0 CHADMN CC(C)(O)[C@@H]1CCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000721871500 1125384368 /nfs/dbraw/zinc/38/43/68/1125384368.db2.gz ORRSSVGVUNIMPX-LLVKDONJSA-N 0 1 288.218 3.586 20 0 CHADMN CCCC[C@H](COC)N[C@@H](C)c1c(F)cccc1F ZINC000532448580 1125388715 /nfs/dbraw/zinc/38/87/15/1125388715.db2.gz GVIYQTWXDVHITG-NWDGAFQWSA-N 0 1 271.351 3.821 20 0 CHADMN COc1c(F)cc(CN2C[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001143840207 1131538428 /nfs/dbraw/zinc/53/84/28/1131538428.db2.gz VWLXZNAKSAFUIH-TXEJJXNPSA-N 0 1 283.774 3.720 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453065 1131562516 /nfs/dbraw/zinc/56/25/16/1131562516.db2.gz UOFMGGNMCGHVLJ-FRRDWIJNSA-N 0 1 271.738 3.988 20 0 CHADMN CCc1nc(SCc2n[nH]c(C(C)C)n2)sc1C ZINC000845325654 1131625938 /nfs/dbraw/zinc/62/59/38/1131625938.db2.gz DJEPBAYIQYBZGY-UHFFFAOYSA-N 0 1 282.438 3.548 20 0 CHADMN Cc1cnc(CN2CCC3(CC[C@@H](F)C3)CC2)s1 ZINC001139814055 1131638454 /nfs/dbraw/zinc/63/84/54/1131638454.db2.gz VASQZSIXHQOBIO-GFCCVEGCSA-N 0 1 268.401 3.556 20 0 CHADMN COc1c(F)ccc(F)c1CN1[C@H](C)CCC[C@@H]1C ZINC001144744771 1131700079 /nfs/dbraw/zinc/70/00/79/1131700079.db2.gz DTZIIXQJIYLJGC-PHIMTYICSA-N 0 1 269.335 3.736 20 0 CHADMN C[N@@H+](CCC1CC1)Cc1sc(N2CCCC2)nc1Cl ZINC001140365978 1131706208 /nfs/dbraw/zinc/70/62/08/1131706208.db2.gz KFZNRKFDYUWCPZ-UHFFFAOYSA-N 0 1 299.871 3.629 20 0 CHADMN CN(CCC1CC1)Cc1sc(N2CCCC2)nc1Cl ZINC001140365978 1131706213 /nfs/dbraw/zinc/70/62/13/1131706213.db2.gz KFZNRKFDYUWCPZ-UHFFFAOYSA-N 0 1 299.871 3.629 20 0 CHADMN CN(Cc1cccc(F)c1)Cc1cc(O)cc(Cl)c1 ZINC001140787387 1131920112 /nfs/dbraw/zinc/92/01/12/1131920112.db2.gz IWDLQMGLTWOPNE-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN [O-]c1c(Cl)cc(C[NH+]2CCC(CF)CC2)cc1Cl ZINC001140832219 1131942288 /nfs/dbraw/zinc/94/22/88/1131942288.db2.gz CSIDOXHAVOSLEX-UHFFFAOYSA-N 0 1 292.181 3.881 20 0 CHADMN C=C/C=C/CCNCc1csc(C(C)(C)C)n1 ZINC000713505890 1131963840 /nfs/dbraw/zinc/96/38/40/1131963840.db2.gz ZVTRNAIUOMOXHB-VOTSOKGWSA-N 0 1 250.411 3.663 20 0 CHADMN COc1ccc(CN2CCC[C@@H](C)[C@H]2C)c(OC)c1Cl ZINC001248799182 1132115947 /nfs/dbraw/zinc/11/59/47/1132115947.db2.gz SPSXFWPWJDPUNO-VXGBXAGGSA-N 0 1 297.826 3.978 20 0 CHADMN CCN1CCC[C@@H](Oc2ncc(Cl)c(C)c2Cl)C1 ZINC001231068970 1132252336 /nfs/dbraw/zinc/25/23/36/1132252336.db2.gz WVEYRTQFBRIIOS-SNVBAGLBSA-N 0 1 289.206 3.560 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(C(C)(F)F)cc1 ZINC001212675155 1132288931 /nfs/dbraw/zinc/28/89/31/1132288931.db2.gz IVKBREKITZZORJ-UHFFFAOYSA-N 0 1 251.280 3.584 20 0 CHADMN FC(F)(F)c1ccc(CNc2nccn2C2CC2)s1 ZINC000840886578 1132301947 /nfs/dbraw/zinc/30/19/47/1132301947.db2.gz HKSLMVLKHJGELW-UHFFFAOYSA-N 0 1 287.310 3.910 20 0 CHADMN CC(C)Sc1nc2sccn2c1C[N@@H+](C)C(C)C ZINC001231774291 1132358554 /nfs/dbraw/zinc/35/85/54/1132358554.db2.gz PSMFYSYRLMNJGX-UHFFFAOYSA-N 0 1 283.466 3.737 20 0 CHADMN CC(C)Sc1nc2sccn2c1CN(C)C(C)C ZINC001231774291 1132358562 /nfs/dbraw/zinc/35/85/62/1132358562.db2.gz PSMFYSYRLMNJGX-UHFFFAOYSA-N 0 1 283.466 3.737 20 0 CHADMN CCN([C@H](C)CSc1ccc(Cl)cc1)C1COC1 ZINC001172880296 1132356913 /nfs/dbraw/zinc/35/69/13/1132356913.db2.gz BTICKHQKBNIZPK-LLVKDONJSA-N 0 1 285.840 3.541 20 0 CHADMN Cc1cnc(CN2CCC[C@@H](C)CC2)c(Br)c1 ZINC001232172318 1132431342 /nfs/dbraw/zinc/43/13/42/1132431342.db2.gz FVZGOBQXFHQESB-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN COc1c(F)ccc(CN2CCC[C@@H](C)CC2)c1F ZINC001143320616 1132535947 /nfs/dbraw/zinc/53/59/47/1132535947.db2.gz KZYHNKYSXNJORQ-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN COc1c(F)ccc(CN2CCCC[C@H](C)C2)c1F ZINC001143320227 1132536192 /nfs/dbraw/zinc/53/61/92/1132536192.db2.gz GXTVXWCZXORBDC-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CCCC1CCN(Cc2cccc(O)c2F)CC1 ZINC001233051896 1132568273 /nfs/dbraw/zinc/56/82/73/1132568273.db2.gz BRVVWBIPKSWDPR-UHFFFAOYSA-N 0 1 251.345 3.543 20 0 CHADMN FC(F)(F)c1cnc(N=CCc2ccccc2)nc1 ZINC001173870950 1132573834 /nfs/dbraw/zinc/57/38/34/1132573834.db2.gz QMSSFVGLVIZPME-VOTSOKGWSA-N 0 1 265.238 3.578 20 0 CHADMN Cc1nc[nH]c1C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001204589940 1133464008 /nfs/dbraw/zinc/46/40/08/1133464008.db2.gz LPKVOKKDWXGQBF-LLVKDONJSA-N 0 1 263.772 3.565 20 0 CHADMN Cc1nc[nH]c1CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC001204589940 1133464010 /nfs/dbraw/zinc/46/40/10/1133464010.db2.gz LPKVOKKDWXGQBF-LLVKDONJSA-N 0 1 263.772 3.565 20 0 CHADMN Cc1noc([C@@H](C)N(C)CC2CCC(C(C)C)CC2)n1 ZINC001206463215 1133705403 /nfs/dbraw/zinc/70/54/03/1133705403.db2.gz BURKVFSSNFWNPS-LRVUVFPRSA-N 0 1 279.428 3.833 20 0 CHADMN CN(CCc1c(Cl)cccc1Cl)Cc1ccno1 ZINC001209108165 1133976152 /nfs/dbraw/zinc/97/61/52/1133976152.db2.gz BJWFCDLWSSZQIT-UHFFFAOYSA-N 0 1 285.174 3.656 20 0 CHADMN CC[C@@H]1CCCN1Cc1cc(OC)c(Cl)cc1F ZINC001209665416 1134048952 /nfs/dbraw/zinc/04/89/52/1134048952.db2.gz YQZPQPWSQNEZSM-LLVKDONJSA-N 0 1 271.763 3.862 20 0 CHADMN Cc1ccncc1Nc1ccc(Cl)c(O)c1F ZINC001214791561 1134573610 /nfs/dbraw/zinc/57/36/10/1134573610.db2.gz XTKGJICNNJZOPQ-UHFFFAOYSA-N 0 1 252.676 3.632 20 0 CHADMN Nc1cncn1-c1c(Cl)ccc(C(F)(F)F)c1Cl ZINC001214567209 1134553654 /nfs/dbraw/zinc/55/36/54/1134553654.db2.gz DGMZTPKMAZCUTK-UHFFFAOYSA-N 0 1 296.079 3.780 20 0 CHADMN Cc1ccc(CO)cc1Nc1ccc(Cl)c(O)c1F ZINC001214799192 1134575278 /nfs/dbraw/zinc/57/52/78/1134575278.db2.gz PQTGGQBSSUFUSI-UHFFFAOYSA-N 0 1 281.714 3.729 20 0 CHADMN CSc1ccc(F)cc1Nc1nnc(C(C)C)o1 ZINC001215444243 1134627926 /nfs/dbraw/zinc/62/79/26/1134627926.db2.gz OFFDBOCZIYTRJL-UHFFFAOYSA-N 0 1 267.329 3.798 20 0 CHADMN CC(C)N1CCC[C@H](Oc2cccc(F)c2Cl)C1 ZINC001226829960 1135747472 /nfs/dbraw/zinc/74/74/72/1135747472.db2.gz UVHMCHGPPGDQBI-NSHDSACASA-N 0 1 271.763 3.731 20 0 CHADMN CCn1nccc1CN(C)c1cc(C)nc2ccc(F)cc21 ZINC000425260861 1125508749 /nfs/dbraw/zinc/50/87/49/1125508749.db2.gz PPSHZICBISQHNF-UHFFFAOYSA-N 0 1 298.365 3.535 20 0 CHADMN Cc1csc(C(C)(C)NCc2sccc2C)n1 ZINC000116382533 1125510529 /nfs/dbraw/zinc/51/05/29/1125510529.db2.gz GXNGEWNRRJIQLT-UHFFFAOYSA-N 0 1 266.435 3.846 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2cccc3c2OCCO3)c1 ZINC000237336715 1125520667 /nfs/dbraw/zinc/52/06/67/1125520667.db2.gz BUDIRZOCSJBVGM-OAHLLOKOSA-N 0 1 297.398 3.925 20 0 CHADMN C[C@@H]1SCCN(Cc2ccccn2)[C@@H]1c1ccccc1 ZINC000118534545 1125522346 /nfs/dbraw/zinc/52/23/46/1125522346.db2.gz PLXOKKNUNLVAJG-YOEHRIQHSA-N 0 1 284.428 3.760 20 0 CHADMN CC1(C)OC2(CCN(Cc3ccc[nH]3)CC2)c2ccccc21 ZINC001204008580 1125524028 /nfs/dbraw/zinc/52/40/28/1125524028.db2.gz IUHJKPGZQOUWSM-UHFFFAOYSA-N 0 1 296.414 3.771 20 0 CHADMN CCO[C@H](C)c1noc(CN2CCC[C@@H]2CCC(C)C)n1 ZINC000135302716 1125523993 /nfs/dbraw/zinc/52/39/93/1125523993.db2.gz LPZZWKWCKDJQFN-ZIAGYGMSSA-N 0 1 295.427 3.568 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1Cc1nc([C@@H](C)OCC)no1 ZINC000135324612 1125524535 /nfs/dbraw/zinc/52/45/35/1125524535.db2.gz JVQJIVMOEUGTDZ-MCIONIFRSA-N 0 1 295.427 3.568 20 0 CHADMN c1cc(CN2CCC[C@H]2CCCc2ccccc2)no1 ZINC000135361964 1125525808 /nfs/dbraw/zinc/52/58/08/1125525808.db2.gz DUFCFYXADLYQOD-QGZVFWFLSA-N 0 1 270.376 3.662 20 0 CHADMN C[C@H](c1ccccc1)N1CCN([C@H](C)c2cccnc2)CC1 ZINC000118835620 1125526191 /nfs/dbraw/zinc/52/61/91/1125526191.db2.gz RYLFAQWVOCUBEM-IAGOWNOFSA-N 0 1 295.430 3.521 20 0 CHADMN CN(Cc1ccc(Cl)cc1)[C@@H]1CCCc2c1cnn2C ZINC000135600701 1125527747 /nfs/dbraw/zinc/52/77/47/1125527747.db2.gz JLZAURZWDMVBBS-OAHLLOKOSA-N 0 1 289.810 3.583 20 0 CHADMN CN(Cc1nnc(C(C)(C)C)o1)C1CCCCCCC1 ZINC000134118274 1125532122 /nfs/dbraw/zinc/53/21/22/1125532122.db2.gz NUOPSYQDUOOBQN-UHFFFAOYSA-N 0 1 279.428 3.912 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1cnn(C(C)(C)C)c1 ZINC000119383559 1125532807 /nfs/dbraw/zinc/53/28/07/1125532807.db2.gz COCVVBAXXMJXAY-CQSZACIVSA-N 0 1 271.408 3.831 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2c2ccccn2)cc1F ZINC000536629762 1125535790 /nfs/dbraw/zinc/53/57/90/1125535790.db2.gz XNLHNSSIUISFPY-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cn1cccc1[C@@H]1CCCN1Cc1cnc(C2CC2)s1 ZINC000536631075 1125537431 /nfs/dbraw/zinc/53/74/31/1125537431.db2.gz OKODWAZWZZKXBJ-HNNXBMFYSA-N 0 1 287.432 3.696 20 0 CHADMN COCc1ccc(CN(Cc2ccccc2C)C2CC2)o1 ZINC000536632185 1125537518 /nfs/dbraw/zinc/53/75/18/1125537518.db2.gz ZKCPBTLLNPWSBL-UHFFFAOYSA-N 0 1 285.387 3.899 20 0 CHADMN CN(Cc1nccn1C(F)F)C[C@@H]1CCCC(C)(C)C1 ZINC000536629641 1125538014 /nfs/dbraw/zinc/53/80/14/1125538014.db2.gz YVBBMIIAHCDQFJ-GFCCVEGCSA-N 0 1 285.382 3.926 20 0 CHADMN Fc1ccccc1C1CCN(Cc2ccc[nH]2)CC1 ZINC001204010394 1125551054 /nfs/dbraw/zinc/55/10/54/1125551054.db2.gz PMIXTLMMNMMKSP-UHFFFAOYSA-N 0 1 258.340 3.533 20 0 CHADMN OCCCN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000193937654 1125550910 /nfs/dbraw/zinc/55/09/10/1125550910.db2.gz BEYSHRKCALOIFF-CYBMUJFWSA-N 0 1 274.191 3.513 20 0 CHADMN Cc1cc(CSc2nc(C3CC3)n[nH]2)c(C)s1 ZINC000194322941 1125552440 /nfs/dbraw/zinc/55/24/40/1125552440.db2.gz CSSNGMJOHWSMFA-UHFFFAOYSA-N 0 1 265.407 3.653 20 0 CHADMN Cc1cc(CSc2n[nH]c(C3CC3)n2)c(C)s1 ZINC000194322941 1125552442 /nfs/dbraw/zinc/55/24/42/1125552442.db2.gz CSSNGMJOHWSMFA-UHFFFAOYSA-N 0 1 265.407 3.653 20 0 CHADMN C[C@@H](NCc1ccc(C(C)(C)C)cc1)c1cnccn1 ZINC000120968174 1125553979 /nfs/dbraw/zinc/55/39/79/1125553979.db2.gz YQKDSZIZCVHMTM-CYBMUJFWSA-N 0 1 269.392 3.625 20 0 CHADMN Fc1ccc([C@H](N[C@H]2CC[C@H](F)C2)c2ccccc2)nc1 ZINC000348325550 1125562223 /nfs/dbraw/zinc/56/22/23/1125562223.db2.gz LWLOYUIRQCWZTE-JLJPHGGASA-N 0 1 288.341 3.790 20 0 CHADMN Cc1ccc2nc(CN3C[C@@H](C)C[C@H]3CF)ccc2c1 ZINC001137210989 1125570008 /nfs/dbraw/zinc/57/00/08/1125570008.db2.gz IVODFPHRPPXKOH-BBRMVZONSA-N 0 1 272.367 3.723 20 0 CHADMN Cc1nnc(CN(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)o1 ZINC000245466606 1125572472 /nfs/dbraw/zinc/57/24/72/1125572472.db2.gz JIPZNFZUMVHHDG-QWRGUYRKSA-N 0 1 293.798 3.655 20 0 CHADMN Cc1c(F)cccc1NCc1ccc2nc[nH]c2c1 ZINC000532730614 1125575596 /nfs/dbraw/zinc/57/55/96/1125575596.db2.gz XXGWUXASPIGTQU-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN CCOc1ccc2c(c1)CCN(Cc1cccc(OC)c1)C2 ZINC000532741864 1125578523 /nfs/dbraw/zinc/57/85/23/1125578523.db2.gz JFQALJBHGPPJHC-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN Cc1cccc2nc(CNC(C)(C)c3cccs3)cn21 ZINC000348329423 1125581361 /nfs/dbraw/zinc/58/13/61/1125581361.db2.gz YDKURFZDQJYJEX-UHFFFAOYSA-N 0 1 285.416 3.729 20 0 CHADMN C[C@@H]1CCN(Cc2cnc3ccccn23)[C@@H]2CCCC[C@@H]12 ZINC000532917466 1125589032 /nfs/dbraw/zinc/58/90/32/1125589032.db2.gz JDDGIOGQSXRNEG-HYVNUMGLSA-N 0 1 283.419 3.735 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)N1CCN(C2CC2)CC1 ZINC000622260857 1129239765 /nfs/dbraw/zinc/23/97/65/1129239765.db2.gz GRONWCARCGMOEM-MRXNPFEDSA-N 0 1 278.827 3.571 20 0 CHADMN c1nc(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)co1 ZINC000282927185 1125593315 /nfs/dbraw/zinc/59/33/15/1125593315.db2.gz FPQVRQQLCKRLPU-ACHSLPGTSA-N 0 1 268.360 3.585 20 0 CHADMN Cc1coc(CNCc2ccc(OC(C)C)cc2)c1 ZINC000885921273 1125627470 /nfs/dbraw/zinc/62/74/70/1125627470.db2.gz XLCGECLXSJTTQO-UHFFFAOYSA-N 0 1 259.349 3.665 20 0 CHADMN CCCCc1nc(CN2CCCC[C@@H]2[C@@H](O)CC)cs1 ZINC000246390359 1125622836 /nfs/dbraw/zinc/62/28/36/1125622836.db2.gz OYZOPEQVALNHML-CABCVRRESA-N 0 1 296.480 3.611 20 0 CHADMN Clc1cccc2ccc(CN3CCCCC3)nc12 ZINC001137220338 1125623337 /nfs/dbraw/zinc/62/33/37/1125623337.db2.gz YPPSOVUAFQCXNK-UHFFFAOYSA-N 0 1 260.768 3.874 20 0 CHADMN CC[C@H](C)N(C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000067117240 1125626202 /nfs/dbraw/zinc/62/62/02/1125626202.db2.gz PEXFCNUSYVBOMQ-JTQLQIEISA-N 0 1 280.318 3.850 20 0 CHADMN CCOCc1ccc(CNCc2ccc(Cl)cn2)cc1 ZINC000885921045 1125627213 /nfs/dbraw/zinc/62/72/13/1125627213.db2.gz QJRWATNIVLUCFT-UHFFFAOYSA-N 0 1 290.794 3.561 20 0 CHADMN CCOc1ccc(NCc2n[nH]c(C)c2C)cc1Cl ZINC000885933533 1125628260 /nfs/dbraw/zinc/62/82/60/1125628260.db2.gz WXLDYNUPNZKJKW-UHFFFAOYSA-N 0 1 279.771 3.691 20 0 CHADMN Cc1n[nH]c(CNC2(c3ccc(Cl)cc3)CCC2)c1C ZINC000885956085 1125630334 /nfs/dbraw/zinc/63/03/34/1125630334.db2.gz HWBPWTRUSNSSAM-UHFFFAOYSA-N 0 1 289.810 3.849 20 0 CHADMN C[C@@H](c1ccco1)N(C)C[C@H]1CCC2(CCC2)CO1 ZINC000885967210 1125631389 /nfs/dbraw/zinc/63/13/89/1125631389.db2.gz KASUOISVEUCPND-UONOGXRCSA-N 0 1 263.381 3.622 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N(C)CC2CCC2)n1 ZINC000072518041 1125634922 /nfs/dbraw/zinc/63/49/22/1125634922.db2.gz WQAIXLKKHPLZQQ-ZDUSSCGKSA-N 0 1 285.391 3.838 20 0 CHADMN CSc1cc(C)cc(CN2CC(c3cccnc3)C2)c1 ZINC001238682111 1131231084 /nfs/dbraw/zinc/23/10/84/1131231084.db2.gz LZXMNTSPNKAHDN-UHFFFAOYSA-N 0 1 284.428 3.711 20 0 CHADMN c1csc(CN(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000072889789 1125636152 /nfs/dbraw/zinc/63/61/52/1125636152.db2.gz BGWQIGQJMQMTNB-ZDUSSCGKSA-N 0 1 293.457 3.991 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000073317916 1125638657 /nfs/dbraw/zinc/63/86/57/1125638657.db2.gz XIPFQYQXMKMHJD-PHIMTYICSA-N 0 1 289.404 3.541 20 0 CHADMN C[C@@H]1c2ccccc2CN1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886031024 1125639864 /nfs/dbraw/zinc/63/98/64/1125639864.db2.gz ZWPYSJSLDJVXJS-ISTRZQFTSA-N 0 1 257.377 3.521 20 0 CHADMN Cc1[nH]nc(CNc2ccc3c(cnn3C(C)C)c2)c1C ZINC000886037682 1125639938 /nfs/dbraw/zinc/63/99/38/1125639938.db2.gz OBMDERARMZIFHZ-UHFFFAOYSA-N 0 1 283.379 3.569 20 0 CHADMN Cc1[nH]nc(CNc2cc(Cl)cc(Cl)c2)c1C ZINC000886057183 1125641972 /nfs/dbraw/zinc/64/19/72/1125641972.db2.gz HYYPJWWSLFXNLC-UHFFFAOYSA-N 0 1 270.163 3.945 20 0 CHADMN c1c[nH]c([C@H]2CCC[N@@H+]2C[C@H]2CCC3(CCC3)CO2)c1 ZINC000886049077 1125640683 /nfs/dbraw/zinc/64/06/83/1125640683.db2.gz FROHFUBTVGCFHW-GDBMZVCRSA-N 0 1 274.408 3.501 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3cccc(Cl)c3)c2[nH]1 ZINC000074732633 1125642481 /nfs/dbraw/zinc/64/24/81/1125642481.db2.gz NFZPHHMWLLDJNL-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN COCc1ccc([C@@H]2CCCN2Cc2cc(C)oc2C)o1 ZINC000137069264 1125649202 /nfs/dbraw/zinc/64/92/02/1125649202.db2.gz DWISIHZKCDIGDU-INIZCTEOSA-N 0 1 289.375 3.973 20 0 CHADMN Oc1cccc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000282947430 1125649446 /nfs/dbraw/zinc/64/94/46/1125649446.db2.gz GWXMSVPLEKQYMY-CQSZACIVSA-N 0 1 299.336 3.947 20 0 CHADMN CC[N@@H+](Cc1csc(C)c1C)Cc1ccccn1 ZINC000638067011 1129241298 /nfs/dbraw/zinc/24/12/98/1129241298.db2.gz PVAVTXRGLASGAT-UHFFFAOYSA-N 0 1 260.406 3.782 20 0 CHADMN CCN(Cc1csc(C)c1C)Cc1ccccn1 ZINC000638067011 1129241304 /nfs/dbraw/zinc/24/13/04/1129241304.db2.gz PVAVTXRGLASGAT-UHFFFAOYSA-N 0 1 260.406 3.782 20 0 CHADMN Cc1[nH]nc(CNc2cccc(C3CCC3)c2)c1C ZINC000886122813 1125652945 /nfs/dbraw/zinc/65/29/45/1125652945.db2.gz KVDUFDVHEAZUFH-UHFFFAOYSA-N 0 1 255.365 3.906 20 0 CHADMN Cc1cnc(CN2CC[C@H](c3ccccc3)[C@@H](C)C2)o1 ZINC000247472595 1125656214 /nfs/dbraw/zinc/65/62/14/1125656214.db2.gz JKICTHAPBQEMQR-BBRMVZONSA-N 0 1 270.376 3.609 20 0 CHADMN C[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2cccnc2)C1 ZINC000075842793 1125657643 /nfs/dbraw/zinc/65/76/43/1125657643.db2.gz YAFCWBPOVGRJOB-GUYCJALGSA-N 0 1 270.351 3.804 20 0 CHADMN C[C@H]1C[C@H](c2cccc(F)c2)N(Cc2cccnc2)C1 ZINC000075842791 1125658005 /nfs/dbraw/zinc/65/80/05/1125658005.db2.gz YAFCWBPOVGRJOB-SUMWQHHRSA-N 0 1 270.351 3.804 20 0 CHADMN C[C@H]1CCN(CCOCC(F)(F)F)[C@@H](c2ccco2)C1 ZINC000247705106 1125659120 /nfs/dbraw/zinc/65/91/20/1125659120.db2.gz YRXXNPXLZQTUMV-NWDGAFQWSA-N 0 1 291.313 3.632 20 0 CHADMN C[C@H](c1nnc(-c2ccccc2)o1)N1CCC(C)CC1 ZINC000247813899 1125660313 /nfs/dbraw/zinc/66/03/13/1125660313.db2.gz BDHUNCOELYUEMO-CYBMUJFWSA-N 0 1 271.364 3.530 20 0 CHADMN C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC(C)CC1 ZINC000247813905 1125660819 /nfs/dbraw/zinc/66/08/19/1125660819.db2.gz BDHUNCOELYUEMO-ZDUSSCGKSA-N 0 1 271.364 3.530 20 0 CHADMN FC(F)(F)SCCN1CCC[C@H](c2cccnc2)C1 ZINC000886263898 1125663913 /nfs/dbraw/zinc/66/39/13/1125663913.db2.gz JYEQDZRAIBKDEZ-LBPRGKRZSA-N 0 1 290.354 3.514 20 0 CHADMN Fc1ccc([C@@H]2CCN2C[C@H]2CC[C@@H](C3CC3)O2)cc1 ZINC000886278878 1125665184 /nfs/dbraw/zinc/66/51/84/1125665184.db2.gz KZEADSNQSPPJRX-IKGGRYGDSA-N 0 1 275.367 3.530 20 0 CHADMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNCc1ncc(C(F)(F)F)s1 ZINC000886281203 1125667100 /nfs/dbraw/zinc/66/71/00/1125667100.db2.gz UPJJKNVPZFXTFX-XFWSIPNHSA-N 0 1 290.354 3.544 20 0 CHADMN FC[C@H]1[C@@H]2CN(Cc3ccc4cccc(Cl)c4n3)C[C@H]12 ZINC001137227954 1125670022 /nfs/dbraw/zinc/67/00/22/1125670022.db2.gz HBYQGJXGGJBCNW-ZSOGYDGISA-N 0 1 290.769 3.536 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CCC[C@H]1c1nncn1C ZINC000248645245 1125673562 /nfs/dbraw/zinc/67/35/62/1125673562.db2.gz GCVFIHPSSGFWKM-HOTGVXAUSA-N 0 1 290.455 3.725 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN(C[C@H]2CCCO2)C2CC2)o1 ZINC000248770355 1125673913 /nfs/dbraw/zinc/67/39/13/1125673913.db2.gz QDSYQXPOMBSLOJ-XNRPHZJLSA-N 0 1 275.392 3.546 20 0 CHADMN CCn1ccnc1CN1CCC[C@H]1c1cccc(C)c1 ZINC000076292753 1125676231 /nfs/dbraw/zinc/67/62/31/1125676231.db2.gz JWEBPNJPFZPHDN-INIZCTEOSA-N 0 1 269.392 3.549 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@H]2CCc3cccnc32)c1 ZINC000886517938 1125682920 /nfs/dbraw/zinc/68/29/20/1125682920.db2.gz XNGGLXYRQDZESS-DYVFJYSZSA-N 0 1 282.387 3.818 20 0 CHADMN CCO[C@H](C)c1noc(CN2CCC[C@@H]2CC(C)(C)C)n1 ZINC000076723745 1125684907 /nfs/dbraw/zinc/68/49/07/1125684907.db2.gz KQVONOYYNZFZCE-CHWSQXEVSA-N 0 1 295.427 3.568 20 0 CHADMN Cc1conc1CN1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC000886541200 1125686778 /nfs/dbraw/zinc/68/67/78/1125686778.db2.gz RRGUIWAYDMZMSW-MLGOLLRUSA-N 0 1 256.349 3.566 20 0 CHADMN Fc1ccc(C2(N[C@H]3CCc4cccnc43)CCC2)cc1 ZINC000886570279 1125691691 /nfs/dbraw/zinc/69/16/91/1125691691.db2.gz GFSXVZSPRMJZAI-INIZCTEOSA-N 0 1 282.362 3.877 20 0 CHADMN CCc1nc(C)c(CN[C@@H](CC)c2ccc(OC)cc2)o1 ZINC000292019358 1125692657 /nfs/dbraw/zinc/69/26/57/1125692657.db2.gz ZPSZHUMGOHINIH-HNNXBMFYSA-N 0 1 288.391 3.795 20 0 CHADMN Cc1cnc([C@@H](C)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cn1 ZINC000886618565 1125697796 /nfs/dbraw/zinc/69/77/96/1125697796.db2.gz DWXGUONKHKNXFB-DYEKYZERSA-N 0 1 299.340 3.510 20 0 CHADMN CC[C@@H](N[C@H]1CCc2cccnc21)c1ccccc1F ZINC000886633398 1125700257 /nfs/dbraw/zinc/70/02/57/1125700257.db2.gz UXDNZUAOEYJAOX-CVEARBPZSA-N 0 1 270.351 3.949 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1CCC(C)CC1 ZINC000252007804 1125701629 /nfs/dbraw/zinc/70/16/29/1125701629.db2.gz PVMBJXTVCAISNA-UHFFFAOYSA-N 0 1 276.405 3.943 20 0 CHADMN C[C@@H](NCc1cc(C2CC2)no1)c1cc2c(s1)CCC2 ZINC000886685023 1125709381 /nfs/dbraw/zinc/70/93/81/1125709381.db2.gz YOSSKFXUWONILY-SNVBAGLBSA-N 0 1 288.416 3.953 20 0 CHADMN Cc1ccc(F)cc1NC(=O)c1cn[nH]c1-c1ccccc1 ZINC000078302019 1125710849 /nfs/dbraw/zinc/71/08/49/1125710849.db2.gz TVJUMILICBGBEM-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN C[C@H](NC[C@H]1CCC2(CCC2)CO1)c1cccnc1Cl ZINC000886730445 1125712785 /nfs/dbraw/zinc/71/27/85/1125712785.db2.gz COCLGNZIWJKNOQ-QWHCGFSZSA-N 0 1 294.826 3.735 20 0 CHADMN CC[C@@H](NCc1cccnc1OC)c1cccc(C)c1 ZINC000285747167 1125717036 /nfs/dbraw/zinc/71/70/36/1125717036.db2.gz RLRBQEGJSBYPND-MRXNPFEDSA-N 0 1 270.376 3.640 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1ccnc(Cl)c1 ZINC000886922087 1125724086 /nfs/dbraw/zinc/72/40/86/1125724086.db2.gz QWWRVRWGQDSPQZ-AWEZNQCLSA-N 0 1 276.742 3.651 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886829681 1125722506 /nfs/dbraw/zinc/72/25/06/1125722506.db2.gz FLWFFYLAJQZXAG-MGPQQGTHSA-N 0 1 292.423 3.534 20 0 CHADMN CC[C@@H](NCc1nnc(C)[nH]1)c1cccc2ccccc21 ZINC000886919734 1125724895 /nfs/dbraw/zinc/72/48/95/1125724895.db2.gz SVSNXPWZQQVFQO-MRXNPFEDSA-N 0 1 280.375 3.507 20 0 CHADMN C[C@@H]1CC[C@H](CO)CN1Cc1cccc(Cl)c1Cl ZINC000093739017 1125726671 /nfs/dbraw/zinc/72/66/71/1125726671.db2.gz YCNFDVOPSYBLJO-MNOVXSKESA-N 0 1 288.218 3.586 20 0 CHADMN CC(C)(C)C1CCN(Cc2cnccc2Cl)CC1 ZINC001137231993 1125729107 /nfs/dbraw/zinc/72/91/07/1125729107.db2.gz ZXOTZSJMSFFQMG-UHFFFAOYSA-N 0 1 266.816 3.993 20 0 CHADMN F[C@@H]1CCN(Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001238684045 1131231292 /nfs/dbraw/zinc/23/12/92/1131231292.db2.gz UZTHLRHYUYGTFR-OAHLLOKOSA-N 0 1 290.769 3.946 20 0 CHADMN CC[C@H](OC1CCCCC1)c1nc(C2(N)CCCC2)no1 ZINC000261716648 1125741421 /nfs/dbraw/zinc/74/14/21/1125741421.db2.gz JIEQJTBARQNFGI-ZDUSSCGKSA-N 0 1 293.411 3.598 20 0 CHADMN Cc1ccc([C@H](C)NCc2cn(C)nc2C(F)(F)F)cc1 ZINC000090666346 1125743870 /nfs/dbraw/zinc/74/38/70/1125743870.db2.gz PFVMPSWLXRSOCG-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN Cc1ccc(O[C@@H](C)CN[C@@H](C)c2nccs2)cc1 ZINC000091729890 1125751698 /nfs/dbraw/zinc/75/16/98/1125751698.db2.gz QUNOKEZPAXISCO-STQMWFEESA-N 0 1 276.405 3.570 20 0 CHADMN CC[C@@H](C)N(C)Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000179322905 1125754106 /nfs/dbraw/zinc/75/41/06/1125754106.db2.gz QIOOINZGMXHDDT-LLVKDONJSA-N 0 1 294.830 3.896 20 0 CHADMN Cc1ccc(CN(Cc2cnc[nH]2)Cc2ccco2)s1 ZINC000092536793 1125759215 /nfs/dbraw/zinc/75/92/15/1125759215.db2.gz NIAUNQGQDXEGMF-UHFFFAOYSA-N 0 1 287.388 3.575 20 0 CHADMN CCn1cc(CN(Cc2ccc(C)s2)C(C)C)cn1 ZINC000092485247 1125760021 /nfs/dbraw/zinc/76/00/21/1125760021.db2.gz PYRDLVOAVIKEOA-UHFFFAOYSA-N 0 1 277.437 3.684 20 0 CHADMN Fc1ccccc1-c1ncc(CN2CC(C3CC3)C2)s1 ZINC000648592291 1125764540 /nfs/dbraw/zinc/76/45/40/1125764540.db2.gz XJRLBTBFZASGMJ-UHFFFAOYSA-N 0 1 288.391 3.791 20 0 CHADMN CCN(Cc1ncccc1C)[C@H](C)c1cccc(O)c1 ZINC000093178994 1125766093 /nfs/dbraw/zinc/76/60/93/1125766093.db2.gz NIMHAAYTGGNXQA-CQSZACIVSA-N 0 1 270.376 3.679 20 0 CHADMN CCc1nc(C)c([C@H](C)N(C)Cc2cccc(O)c2)s1 ZINC000093612579 1125770826 /nfs/dbraw/zinc/77/08/26/1125770826.db2.gz NESCPISAYHAOAJ-LBPRGKRZSA-N 0 1 290.432 3.913 20 0 CHADMN CC[C@@H](C)[C@H](CN1CCC[C@@H]1c1csc(C)n1)OC ZINC000639060333 1129279577 /nfs/dbraw/zinc/27/95/77/1129279577.db2.gz OCVYPZWXLQQDQT-DFBGVHRSSA-N 0 1 282.453 3.650 20 0 CHADMN FC(F)CC1CN(Cc2ccccc2CC(F)(F)F)C1 ZINC000639278335 1129299271 /nfs/dbraw/zinc/29/92/71/1129299271.db2.gz HKJYGHUWDFEEGZ-UHFFFAOYSA-N 0 1 293.279 3.878 20 0 CHADMN Fc1ccc(CN(C/C=C/Cl)CC2CC2)cc1 ZINC000734640623 1129316921 /nfs/dbraw/zinc/31/69/21/1129316921.db2.gz UBMRHRNBNARGJW-UNXLUWIOSA-N 0 1 253.748 3.790 20 0 CHADMN CCCCc1nc(CN(C)[C@H](C)C(C)C)cs1 ZINC000642252697 1129411752 /nfs/dbraw/zinc/41/17/52/1129411752.db2.gz NNJHRBDREVNREP-GFCCVEGCSA-N 0 1 254.443 3.962 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC001437273282 1129469452 /nfs/dbraw/zinc/46/94/52/1129469452.db2.gz QCAZXZGUZGYDLX-VQHPVUNQSA-N 0 1 296.499 3.923 20 0 CHADMN Cc1nc2c(s1)CN([C@H]1C[C@H](C)CC(C)(C)C1)C2 ZINC001258700717 1129524295 /nfs/dbraw/zinc/52/42/95/1129524295.db2.gz BCZXFBVPGIXIQQ-JQWIXIFHSA-N 0 1 264.438 3.982 20 0 CHADMN CC(C)CCc1ccc(NC(=O)C(C)(C)c2cnc[nH]2)cc1 ZINC000621762014 1129190916 /nfs/dbraw/zinc/19/09/16/1129190916.db2.gz SFOIFSMGIWOTRK-UHFFFAOYSA-N 0 1 299.418 3.915 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)Cc2ccccc2Cl)no1 ZINC000800502353 1129881372 /nfs/dbraw/zinc/88/13/72/1129881372.db2.gz AOJGWELTNOEULR-JQWIXIFHSA-N 0 1 278.783 3.918 20 0 CHADMN Clc1cnc(CNCCSCc2ccccc2)s1 ZINC000769911870 1129929752 /nfs/dbraw/zinc/92/97/52/1129929752.db2.gz ODUXUGPYHWFXRE-UHFFFAOYSA-N 0 1 298.864 3.820 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)C[C@H](C)C(C)(C)C)[nH]1 ZINC000636429526 1129203170 /nfs/dbraw/zinc/20/31/70/1129203170.db2.gz JHYBEAZVGHFBRY-NSHDSACASA-N 0 1 287.407 3.626 20 0 CHADMN CCOc1ccc(C)c(CN2CC(C)(C)OC(C)(C)C2)c1 ZINC001238714344 1131237173 /nfs/dbraw/zinc/23/71/73/1131237173.db2.gz SFHSGWJWWQESBH-UHFFFAOYSA-N 0 1 291.435 3.783 20 0 CHADMN C[C@@H](N[C@H](c1ccccn1)C1CC1)c1ccsc1 ZINC000903341540 1130163367 /nfs/dbraw/zinc/16/33/67/1130163367.db2.gz ZKXOYPOVAMDDCS-ABAIWWIYSA-N 0 1 258.390 3.945 20 0 CHADMN CC(=O)c1cc(C[N@@H+]2C[C@@H](c3ccccc3C)C[C@@H]2C)on1 ZINC000555880730 1126707964 /nfs/dbraw/zinc/70/79/64/1126707964.db2.gz WIDKWEXPNKDTCM-ZFWWWQNUSA-N 0 1 298.386 3.564 20 0 CHADMN CC(=O)c1cc(CN2C[C@@H](c3ccccc3C)C[C@@H]2C)on1 ZINC000555880730 1126707967 /nfs/dbraw/zinc/70/79/67/1126707967.db2.gz WIDKWEXPNKDTCM-ZFWWWQNUSA-N 0 1 298.386 3.564 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H](C)c2ccncc2F)c1 ZINC000338013662 1126710939 /nfs/dbraw/zinc/71/09/39/1126710939.db2.gz FMTFZTHOUOGHJJ-STQMWFEESA-N 0 1 258.340 3.941 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(F)cc1 ZINC000481742833 1126711179 /nfs/dbraw/zinc/71/11/79/1126711179.db2.gz WVNMNNXEJTWYGN-GXFFZTMASA-N 0 1 275.289 3.989 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H](CO)CC2CCCC2)cs1 ZINC000338021482 1126711625 /nfs/dbraw/zinc/71/16/25/1126711625.db2.gz UVNGGDSDODOAHZ-GXTWGEPZSA-N 0 1 296.480 3.858 20 0 CHADMN Cc1cccc(NC2CCN(C/C=C/Cl)CC2)c1 ZINC000135248219 1126714695 /nfs/dbraw/zinc/71/46/95/1126714695.db2.gz ZIWNGCTZAHVEJY-FPYGCLRLSA-N 0 1 264.800 3.624 20 0 CHADMN Cc1ccc2cc(CN3CCC[C@H](OC(F)F)C3)[nH]c2c1 ZINC000667962684 1126720025 /nfs/dbraw/zinc/72/00/25/1126720025.db2.gz WXERFPQNTMZPNF-AWEZNQCLSA-N 0 1 294.345 3.680 20 0 CHADMN Fc1ccc2nc(-c3csc(-c4ccccn4)n3)[nH]c2c1 ZINC000338230720 1126725944 /nfs/dbraw/zinc/72/59/44/1126725944.db2.gz HIGPXMUDMBWTOR-UHFFFAOYSA-N 0 1 296.330 3.888 20 0 CHADMN CC[C@H](NCc1ccc(OC)cn1)c1ccc(C)cc1 ZINC000338276251 1126730165 /nfs/dbraw/zinc/73/01/65/1126730165.db2.gz CDRRLVHQIZBHIV-KRWDZBQOSA-N 0 1 270.376 3.640 20 0 CHADMN CC(C)c1ccc(C(C)(C)NCc2ccno2)cc1 ZINC000600644190 1126730936 /nfs/dbraw/zinc/73/09/36/1126730936.db2.gz HCPIYRZJDKUUBG-UHFFFAOYSA-N 0 1 258.365 3.823 20 0 CHADMN CCCc1ccc(CN2CCCC[C@@H]2c2n[nH]c(C)n2)cc1 ZINC000338331803 1126735231 /nfs/dbraw/zinc/73/52/31/1126735231.db2.gz YATPMJSTCGODQM-QGZVFWFLSA-N 0 1 298.434 3.793 20 0 CHADMN CC(C)SCCN(C)Cc1cc(F)cc(F)c1 ZINC000338352491 1126737349 /nfs/dbraw/zinc/73/73/49/1126737349.db2.gz VWALTPBNTUZBRK-UHFFFAOYSA-N 0 1 259.365 3.538 20 0 CHADMN FC(F)c1cccc(CN[C@H]2CCCc3c[nH]nc32)c1 ZINC001118794056 1131237750 /nfs/dbraw/zinc/23/77/50/1131237750.db2.gz SYQWIHGNHMSZAC-ZDUSSCGKSA-N 0 1 277.318 3.515 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccncc2F)c2ccccc2n1 ZINC000338358740 1126738126 /nfs/dbraw/zinc/73/81/26/1126738126.db2.gz SYHSGTFEPULEJJ-ZDUSSCGKSA-N 0 1 295.361 3.928 20 0 CHADMN C[C@H](NCc1ccc(N2CCCCC2=O)cc1)c1ccco1 ZINC000151049158 1126749614 /nfs/dbraw/zinc/74/96/14/1126749614.db2.gz RXHWUGAWAFRFNJ-AWEZNQCLSA-N 0 1 298.386 3.647 20 0 CHADMN CCCc1cc(C(=O)N(C)[C@H]2CCC[C@H]2C(C)(C)C)n[nH]1 ZINC000668039376 1126755140 /nfs/dbraw/zinc/75/51/40/1126755140.db2.gz KEWZSHQTKBFXCW-HIFRSBDPSA-N 0 1 291.439 3.649 20 0 CHADMN Clc1ccc(CN2CC[C@@H](c3ccco3)C2)o1 ZINC000678259512 1130380458 /nfs/dbraw/zinc/38/04/58/1130380458.db2.gz ASPUGBDHLWJORL-SNVBAGLBSA-N 0 1 251.713 3.516 20 0 CHADMN CC1=C(C)CN(Cc2cnc(C(C)(C)C)s2)CC1 ZINC000482459208 1126757355 /nfs/dbraw/zinc/75/73/55/1126757355.db2.gz NHNNDHKODNBIJZ-UHFFFAOYSA-N 0 1 264.438 3.983 20 0 CHADMN CCn1nc(CN2CCC(C)=C(C)C2)c2ccccc21 ZINC000482453634 1126757369 /nfs/dbraw/zinc/75/73/69/1126757369.db2.gz CCVCFZYDOHJHSV-UHFFFAOYSA-N 0 1 269.392 3.598 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccc(Cl)cc2)nc(C)n1 ZINC000659820837 1126759191 /nfs/dbraw/zinc/75/91/91/1126759191.db2.gz JBLNWYLVNOQFRL-GFCCVEGCSA-N 0 1 289.810 3.940 20 0 CHADMN COc1ccccc1CN1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000482480602 1126759379 /nfs/dbraw/zinc/75/93/79/1126759379.db2.gz BXSNEBPBXKJRGV-YPMHNXCESA-N 0 1 287.325 3.858 20 0 CHADMN CCN[C@@H](C)c1nc(-c2ccc(C(C)C)cc2)no1 ZINC000104061808 1126763619 /nfs/dbraw/zinc/76/36/19/1126763619.db2.gz APANPKOABODUFT-NSHDSACASA-N 0 1 259.353 3.531 20 0 CHADMN Cc1ccc2cc(CN(C)[C@@H](CO)c3ccccc3)[nH]c2c1 ZINC000668210587 1126769256 /nfs/dbraw/zinc/76/92/56/1126769256.db2.gz GJZORYQJVOTWHO-IBGZPJMESA-N 0 1 294.398 3.642 20 0 CHADMN CCCCCN[C@H](CO)c1c(Cl)cccc1Cl ZINC000483240371 1126773838 /nfs/dbraw/zinc/77/38/38/1126773838.db2.gz HMGOYJOOQNTMLS-GFCCVEGCSA-N 0 1 276.207 3.807 20 0 CHADMN CCN(Cc1cc(COC)cs1)Cc1occc1C ZINC000668240392 1126785411 /nfs/dbraw/zinc/78/54/11/1126785411.db2.gz HLAAFCVRTKUBPN-UHFFFAOYSA-N 0 1 279.405 3.818 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H]2CCC[C@@H](C)C2)no1 ZINC000483322178 1126781270 /nfs/dbraw/zinc/78/12/70/1126781270.db2.gz HDZINVGTKMNZCW-OCCSQVGLSA-N 0 1 285.391 3.713 20 0 CHADMN Fc1ccc(SCCN2CCOC3(CCCC3)C2)cc1 ZINC000483477225 1126788527 /nfs/dbraw/zinc/78/85/27/1126788527.db2.gz SSUHOEHHWWJGAX-UHFFFAOYSA-N 0 1 295.423 3.563 20 0 CHADMN Fc1ccccc1SCCN1CCOC2(CCCC2)C1 ZINC000483493737 1126791115 /nfs/dbraw/zinc/79/11/15/1126791115.db2.gz UAZOADRSNGAZQC-UHFFFAOYSA-N 0 1 295.423 3.563 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2coc3ccccc23)C1 ZINC000161124722 1126801130 /nfs/dbraw/zinc/80/11/30/1126801130.db2.gz RKQANYWIYJFFPF-ZDUSSCGKSA-N 0 1 287.359 3.510 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(Cl)nc2)c(C)o1 ZINC000177573458 1126802157 /nfs/dbraw/zinc/80/21/57/1126802157.db2.gz FTJBMZLQMGHDOZ-SNVBAGLBSA-N 0 1 264.756 3.796 20 0 CHADMN CC(C)n1ccc(CN[C@@]2(C)CCCc3ccccc32)n1 ZINC000483850892 1126802390 /nfs/dbraw/zinc/80/23/90/1126802390.db2.gz XZCBOTIRBPVBPW-SFHVURJKSA-N 0 1 283.419 3.805 20 0 CHADMN CC(C)c1nnc(CN2CC[C@@H](c3ccccc3)[C@H]2C)o1 ZINC000177532252 1126802464 /nfs/dbraw/zinc/80/24/64/1126802464.db2.gz FOFGZGKFLRCCKQ-UKRRQHHQSA-N 0 1 285.391 3.571 20 0 CHADMN Cc1nc(CNC2(c3ccccc3)CCC2)sc1C ZINC000177696616 1126803684 /nfs/dbraw/zinc/80/36/84/1126803684.db2.gz XDKVURRMYLLHAF-UHFFFAOYSA-N 0 1 272.417 3.929 20 0 CHADMN CC[C@@H]1CN(Cc2cc3ccncc3s2)[C@@H](CC)CO1 ZINC000668283557 1126804822 /nfs/dbraw/zinc/80/48/22/1126804822.db2.gz SOCMNKVLPVOYGM-UONOGXRCSA-N 0 1 290.432 3.686 20 0 CHADMN CC[C@H]1COC(C)(C)CN1Cc1cc2ccncc2s1 ZINC000668283860 1126804894 /nfs/dbraw/zinc/80/48/94/1126804894.db2.gz ZADQJQJJFFJUTM-ZDUSSCGKSA-N 0 1 290.432 3.686 20 0 CHADMN CC[C@H](N[C@H](C)c1cnn(C)c1C)c1ccc(F)cc1F ZINC000177960908 1126808030 /nfs/dbraw/zinc/80/80/30/1126808030.db2.gz SFZDDJQKKPIILM-HWPZZCPQSA-N 0 1 293.361 3.809 20 0 CHADMN Fc1ccc2c(c1)[C@@H](Sc1nc(C3CC3)n[nH]1)CC2 ZINC000178413371 1126812891 /nfs/dbraw/zinc/81/28/91/1126812891.db2.gz DNZMAJDCPSYLHP-LBPRGKRZSA-N 0 1 275.352 3.601 20 0 CHADMN Fc1ccc2c(c1)[C@@H](Sc1n[nH]c(C3CC3)n1)CC2 ZINC000178413371 1126812893 /nfs/dbraw/zinc/81/28/93/1126812893.db2.gz DNZMAJDCPSYLHP-LBPRGKRZSA-N 0 1 275.352 3.601 20 0 CHADMN C[C@@H](N[C@@H](C)c1noc(-c2ccccc2)n1)C1CCC1 ZINC000178485220 1126814160 /nfs/dbraw/zinc/81/41/60/1126814160.db2.gz ZCQDVUUFEHHBBM-NEPJUHHUSA-N 0 1 271.364 3.576 20 0 CHADMN Cc1nc(-c2cccnc2)sc1[C@H](C)NCc1ccoc1 ZINC000178475902 1126814676 /nfs/dbraw/zinc/81/46/76/1126814676.db2.gz ZZRKPNAZTODQCJ-NSHDSACASA-N 0 1 299.399 3.957 20 0 CHADMN COc1cccc(CN[C@@H]2CCCc3ccc(C)cc32)n1 ZINC000178957808 1126821835 /nfs/dbraw/zinc/82/18/35/1126821835.db2.gz MOJYEGNABVKTMZ-QGZVFWFLSA-N 0 1 282.387 3.566 20 0 CHADMN COc1ccc2nc(SC[C@H]3CCC(C)(C)O3)[nH]c2c1 ZINC000484497964 1126822158 /nfs/dbraw/zinc/82/21/58/1126822158.db2.gz JTYRCDGSJFIDQX-LLVKDONJSA-N 0 1 292.404 3.621 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000178718507 1126819032 /nfs/dbraw/zinc/81/90/32/1126819032.db2.gz PBKGLDAWFQSYNZ-IUCAKERBSA-N 0 1 297.324 3.558 20 0 CHADMN CC[C@H](N[C@H](C)c1cn(C)nc1C)c1ccc(F)cc1F ZINC000178719725 1126819178 /nfs/dbraw/zinc/81/91/78/1126819178.db2.gz LQJVKDQDCGVEPZ-HWPZZCPQSA-N 0 1 293.361 3.809 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccncc1 ZINC000179386375 1126826790 /nfs/dbraw/zinc/82/67/90/1126826790.db2.gz LQVFRRNSFMBLCD-WBAXXEDZSA-N 0 1 282.387 3.653 20 0 CHADMN C[C@H](NCc1ccon1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000179430545 1126827969 /nfs/dbraw/zinc/82/79/69/1126827969.db2.gz VGEVVSGWOPSBCL-MNOVXSKESA-N 0 1 298.308 3.975 20 0 CHADMN CN[C@@H](CC(C)C)c1nc([C@@H](C)c2ccccc2C)no1 ZINC000904098653 1126828732 /nfs/dbraw/zinc/82/87/32/1126828732.db2.gz YKZRICBKQYGMJM-ZFWWWQNUSA-N 0 1 287.407 3.836 20 0 CHADMN CN[C@@H](CC(C)C)c1nc([C@H](C)Oc2ccccc2)no1 ZINC000904092921 1126829767 /nfs/dbraw/zinc/82/97/67/1126829767.db2.gz DBGFYHVHFMIQFE-JSGCOSHPSA-N 0 1 289.379 3.516 20 0 CHADMN COc1cccc(C2CCN(Cc3cncs3)CC2)c1 ZINC000179800295 1126834701 /nfs/dbraw/zinc/83/47/01/1126834701.db2.gz KAIHNHOWAPRRCY-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN FC(F)(F)c1ccc(CN(Cc2cnc[nH]2)C2CC2)cc1 ZINC000180024074 1126838216 /nfs/dbraw/zinc/83/82/16/1126838216.db2.gz PDXGQVHGMNORBB-UHFFFAOYSA-N 0 1 295.308 3.593 20 0 CHADMN C[C@H](NCc1ccc(OC(C)(C)C)nc1)c1cccnc1 ZINC000180011248 1126838653 /nfs/dbraw/zinc/83/86/53/1126838653.db2.gz XPWONNRBHUGXFB-ZDUSSCGKSA-N 0 1 285.391 3.505 20 0 CHADMN CC(C)N(Cc1csc(-c2ccccn2)n1)C(C)C ZINC000180445229 1126844615 /nfs/dbraw/zinc/84/46/15/1126844615.db2.gz MMHWEULVSJDPCY-UHFFFAOYSA-N 0 1 275.421 3.824 20 0 CHADMN CCCC[C@@H](CC)C[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000568639512 1126847120 /nfs/dbraw/zinc/84/71/20/1126847120.db2.gz QMWVZOCYVOAJRY-CYBMUJFWSA-N 0 1 281.396 3.934 20 0 CHADMN CO[C@H](CN[C@@H](c1ccccc1)c1ccccn1)C(C)(C)C ZINC000180690804 1126847220 /nfs/dbraw/zinc/84/72/20/1126847220.db2.gz DHAGCZSKHYDIDB-MSOLQXFVSA-N 0 1 298.430 3.822 20 0 CHADMN CCOc1cccc([C@H](C)NCc2cccc(Cl)n2)c1 ZINC000180686990 1126847627 /nfs/dbraw/zinc/84/76/27/1126847627.db2.gz FOPLKZOMJAKRNQ-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN CC[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccccc1F ZINC000180738150 1126848278 /nfs/dbraw/zinc/84/82/78/1126848278.db2.gz JSHCCAOSRDKAGX-BZSNNMDCSA-N 0 1 285.362 3.525 20 0 CHADMN CC(C)(C)Oc1ccc(CNCc2ccc(F)cc2)cn1 ZINC000180885874 1126849125 /nfs/dbraw/zinc/84/91/25/1126849125.db2.gz LKRKTFVIUAHBOM-UHFFFAOYSA-N 0 1 288.366 3.688 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2cccnc2)c(C)s1 ZINC000180798909 1126849206 /nfs/dbraw/zinc/84/92/06/1126849206.db2.gz ZKDIKBUDSVBMCZ-LBPRGKRZSA-N 0 1 260.406 3.953 20 0 CHADMN CCc1noc([C@@H](C)N[C@@H](C)C(C)(C)c2ccccc2)n1 ZINC000181796477 1126862004 /nfs/dbraw/zinc/86/20/04/1126862004.db2.gz LERZQAIQXDLICX-OLZOCXBDSA-N 0 1 287.407 3.649 20 0 CHADMN Cc1ccccc1[C@H](C)NCc1ccc(Cl)cn1 ZINC000182113941 1126866125 /nfs/dbraw/zinc/86/61/25/1126866125.db2.gz FMZFNPNPYBNWGZ-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1ccc(Cl)cn1)CC2 ZINC000182120144 1126866887 /nfs/dbraw/zinc/86/68/87/1126866887.db2.gz SPCFXTWOSDJDED-MRXNPFEDSA-N 0 1 288.778 3.521 20 0 CHADMN C[C@@H](NCc1ccccc1N(C)C)c1cccc(F)c1F ZINC000181993574 1126863256 /nfs/dbraw/zinc/86/32/56/1126863256.db2.gz PEPJPKVPUCRYJY-GFCCVEGCSA-N 0 1 290.357 3.882 20 0 CHADMN CCC(CC)NC(=O)[C@H](C)N(CC)Cc1ccccc1C ZINC000485013987 1126872359 /nfs/dbraw/zinc/87/23/59/1126872359.db2.gz NVCOSVQKYFTOKG-HNNXBMFYSA-N 0 1 290.451 3.510 20 0 CHADMN Cc1cc(C[N@H+](C)[C@H](C)CCc2cccc(F)c2)no1 ZINC000183092860 1126881581 /nfs/dbraw/zinc/88/15/81/1126881581.db2.gz VSWDWZFLQIIURG-GFCCVEGCSA-N 0 1 276.355 3.575 20 0 CHADMN Cc1cc(CN(C)[C@H](C)CCc2cccc(F)c2)no1 ZINC000183092860 1126881588 /nfs/dbraw/zinc/88/15/88/1126881588.db2.gz VSWDWZFLQIIURG-GFCCVEGCSA-N 0 1 276.355 3.575 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2ccc(C)cc21)c1nccn1C ZINC000183413133 1126887049 /nfs/dbraw/zinc/88/70/49/1126887049.db2.gz LJQZGJJSKZJUBD-IAGOWNOFSA-N 0 1 283.419 3.847 20 0 CHADMN CCC[C@H]1C[C@@H](C(=O)Nc2cccc(Cl)c2O)CCO1 ZINC000183772067 1126891687 /nfs/dbraw/zinc/89/16/87/1126891687.db2.gz XAHUTJJYWQXWHM-QWRGUYRKSA-N 0 1 297.782 3.579 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C=C(CC)CC)c1 ZINC000812707348 1130708177 /nfs/dbraw/zinc/70/81/77/1130708177.db2.gz DNDZAETZBNPLKO-UHFFFAOYSA-N 0 1 275.348 3.670 20 0 CHADMN CC[C@H](NC[C@H](O)c1ccc(C)cc1)c1nc(C)cs1 ZINC000184379943 1126895609 /nfs/dbraw/zinc/89/56/09/1126895609.db2.gz WJHOUEOUTSOGNB-GJZGRUSLSA-N 0 1 290.432 3.534 20 0 CHADMN NC1(c2noc(-c3cc4ccccc4cc3F)n2)CCCC1 ZINC000905305579 1126897905 /nfs/dbraw/zinc/89/79/05/1126897905.db2.gz OSELPIXQJCHGPJ-UHFFFAOYSA-N 0 1 297.333 3.757 20 0 CHADMN Cc1cnc(Cl)c(CNc2nccn2CC(C)C)c1 ZINC000905413912 1126900269 /nfs/dbraw/zinc/90/02/69/1126900269.db2.gz XAPLBLKAPXVJMT-UHFFFAOYSA-N 0 1 278.787 3.508 20 0 CHADMN FC(F)CNCC1CCC(c2ccccc2)CC1 ZINC000485298358 1126903054 /nfs/dbraw/zinc/90/30/54/1126903054.db2.gz MXKBFUPEYUHTTK-UHFFFAOYSA-N 0 1 253.336 3.815 20 0 CHADMN COc1cccc(CN2CC3(C2)CCCC3)c1OC(C)C ZINC000485334723 1126904604 /nfs/dbraw/zinc/90/46/04/1126904604.db2.gz YYNJCPUPVILVTB-UHFFFAOYSA-N 0 1 289.419 3.858 20 0 CHADMN CC(C)Cc1ccccc1CNCc1cccnc1N(C)C ZINC001118803654 1131238339 /nfs/dbraw/zinc/23/83/39/1131238339.db2.gz JDDMGTSXNHPXOV-UHFFFAOYSA-N 0 1 297.446 3.636 20 0 CHADMN CCN(Cc1ccc2nc(C)ccc2c1)Cc1ccccn1 ZINC000187269743 1126909501 /nfs/dbraw/zinc/90/95/01/1126909501.db2.gz LIUSMJVYKYZYIN-UHFFFAOYSA-N 0 1 291.398 3.960 20 0 CHADMN Brc1cc2ccccc2nc1CN1CCCC1 ZINC001235367026 1130736680 /nfs/dbraw/zinc/73/66/80/1130736680.db2.gz HKWBWRWTIHOCPW-UHFFFAOYSA-N 0 1 291.192 3.593 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1c(C3CCC3)cnn1C)CC2 ZINC000668479838 1126911428 /nfs/dbraw/zinc/91/14/28/1126911428.db2.gz WXIGDCLRNJFVEI-UHFFFAOYSA-N 0 1 295.430 3.554 20 0 CHADMN COc1ccc(F)cc1CN[C@@H]1CCc2cc(F)ccc21 ZINC000187593421 1126911668 /nfs/dbraw/zinc/91/16/68/1126911668.db2.gz JXOCHMWQASDNGI-MRXNPFEDSA-N 0 1 289.325 3.751 20 0 CHADMN CCC[C@H](NCc1cc(F)ccc1OC)c1cccnc1 ZINC000187587998 1126912264 /nfs/dbraw/zinc/91/22/64/1126912264.db2.gz QKJSVBVZFJYLFA-INIZCTEOSA-N 0 1 288.366 3.860 20 0 CHADMN CCCCCCN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187680483 1126912689 /nfs/dbraw/zinc/91/26/89/1126912689.db2.gz DNYZZXGTQRAWKL-HNNXBMFYSA-N 0 1 275.371 3.808 20 0 CHADMN CCN(Cc1cscn1)[C@@H](C)Cc1ccsc1 ZINC000187787785 1126915212 /nfs/dbraw/zinc/91/52/12/1126915212.db2.gz JFHTVULOKREHHQ-NSHDSACASA-N 0 1 266.435 3.658 20 0 CHADMN Fc1ccc([C@H](NC[C@@H]2CC=CCC2)c2ncc[nH]2)cc1 ZINC000187854043 1126916032 /nfs/dbraw/zinc/91/60/32/1126916032.db2.gz DTRJFJKUISWNMH-CJNGLKHVSA-N 0 1 285.366 3.584 20 0 CHADMN O=C(/C=C/c1c(F)cccc1Cl)c1ccc(O)cc1O ZINC000149019378 1126917043 /nfs/dbraw/zinc/91/70/43/1126917043.db2.gz XXEMVVKZXPIQIF-VOTSOKGWSA-N 0 1 292.693 3.786 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2nccnc2C)c1 ZINC000187984965 1126917466 /nfs/dbraw/zinc/91/74/66/1126917466.db2.gz YFDLTFVVGVJHLK-HIFRSBDPSA-N 0 1 269.392 3.814 20 0 CHADMN COc1cc(CN2CCC[C@@H](C)[C@H]2C)cc(F)c1F ZINC001235445137 1130744837 /nfs/dbraw/zinc/74/48/37/1130744837.db2.gz HPZAGUTVIGYSJF-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H]1CC(C)(C)c2ccccc21 ZINC000188249853 1126921421 /nfs/dbraw/zinc/92/14/21/1126921421.db2.gz VHSADWMBHVNARY-BBRMVZONSA-N 0 1 281.403 3.858 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000188249800 1126921526 /nfs/dbraw/zinc/92/15/26/1126921526.db2.gz VHSADWMBHVNARY-XJKSGUPXSA-N 0 1 281.403 3.858 20 0 CHADMN Fc1ccc([C@H](NCC2(C3CC3)CCC2)c2ncc[nH]2)cc1 ZINC000188262736 1126921857 /nfs/dbraw/zinc/92/18/57/1126921857.db2.gz ISMGVNYPASVBKC-INIZCTEOSA-N 0 1 299.393 3.808 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1nccnc1C)CCC2 ZINC000188289047 1126922095 /nfs/dbraw/zinc/92/20/95/1126922095.db2.gz FZAIUTIJCATKCQ-RHSMWYFYSA-N 0 1 281.403 3.822 20 0 CHADMN Cc1ccc(F)cc1CN(Cc1ccncc1)C1CC1 ZINC000189285832 1126929705 /nfs/dbraw/zinc/92/97/05/1126929705.db2.gz HZAUHZYQSBANSR-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN Cc1ccc(F)cc1CN(Cc1cccnc1)C1CC1 ZINC000189285133 1126929737 /nfs/dbraw/zinc/92/97/37/1126929737.db2.gz YYUYXHMRORKMRB-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC([C@@H]2CCCO2)CC1 ZINC000189242134 1126929810 /nfs/dbraw/zinc/92/98/10/1126929810.db2.gz FGPFEQPRZHDUMU-SJCJKPOMSA-N 0 1 295.373 3.917 20 0 CHADMN Brc1cccc(CN2CCC23CCCC3)c1 ZINC000707112375 1126935935 /nfs/dbraw/zinc/93/59/35/1126935935.db2.gz ORUNCAQPSGDSBJ-UHFFFAOYSA-N 0 1 280.209 3.968 20 0 CHADMN CSc1ccc(-c2cnc([C@H]3CCCCN3)nc2)cc1 ZINC000906152186 1126931988 /nfs/dbraw/zinc/93/19/88/1126931988.db2.gz FJWVTCPMDBSNNU-OAHLLOKOSA-N 0 1 285.416 3.680 20 0 CHADMN Cc1cncc(CN(Cc2cccs2)C2CC2)c1 ZINC000189761477 1126934763 /nfs/dbraw/zinc/93/47/63/1126934763.db2.gz BLKOZRSDWNKBHV-UHFFFAOYSA-N 0 1 258.390 3.616 20 0 CHADMN Fc1cc(Cl)ccc1-c1cnc([C@@H]2CCCCN2)nc1 ZINC000906205006 1126937694 /nfs/dbraw/zinc/93/76/94/1126937694.db2.gz BAPNGLKDQWSXTD-AWEZNQCLSA-N 0 1 291.757 3.751 20 0 CHADMN c1nc2c(cccc2-c2cnc([C@@H]3CCCCN3)nc2)s1 ZINC000906204813 1126937863 /nfs/dbraw/zinc/93/78/63/1126937863.db2.gz NTAVCBDMJBFGPS-ZDUSSCGKSA-N 0 1 296.399 3.568 20 0 CHADMN Cc1c([C@@H](C)N[C@@H](C)c2cccnc2)cnn1C(C)(C)C ZINC000191125615 1126947740 /nfs/dbraw/zinc/94/77/40/1126947740.db2.gz YNSDHQWROVCFEM-QWHCGFSZSA-N 0 1 286.423 3.753 20 0 CHADMN Fc1cccc(CN[C@H]2CCOc3c(F)cccc32)c1 ZINC000191129344 1126947903 /nfs/dbraw/zinc/94/79/03/1126947903.db2.gz YXIHBRAMEJKYMI-HNNXBMFYSA-N 0 1 275.298 3.578 20 0 CHADMN Fc1cccc2c1OCC[C@@H]2NCc1cccs1 ZINC000191120453 1126948089 /nfs/dbraw/zinc/94/80/89/1126948089.db2.gz NOCNLUVMSNDRRP-ZDUSSCGKSA-N 0 1 263.337 3.501 20 0 CHADMN CCC[C@H](NCc1cccnc1OC)c1ccsc1 ZINC000191198793 1126949129 /nfs/dbraw/zinc/94/91/29/1126949129.db2.gz AZDUGMUCVQVQKZ-AWEZNQCLSA-N 0 1 276.405 3.783 20 0 CHADMN CC[C@@H](C)CC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000190724477 1126943800 /nfs/dbraw/zinc/94/38/00/1126943800.db2.gz VRBWRJLHOBUHHH-WBMJQRKESA-N 0 1 299.418 3.971 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1csc(Cl)c1 ZINC000191266238 1126949673 /nfs/dbraw/zinc/94/96/73/1126949673.db2.gz TVAHSLBEPLVJEG-BDAKNGLRSA-N 0 1 283.828 3.855 20 0 CHADMN CC[C@H](CN(CC)Cc1cn(C2CC2)nn1)c1ccccc1 ZINC000906297985 1126945651 /nfs/dbraw/zinc/94/56/51/1126945651.db2.gz YPIIGBSPYLCUNC-OAHLLOKOSA-N 0 1 298.434 3.629 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@@H](C)C2)cnc1Br ZINC001235824926 1130783465 /nfs/dbraw/zinc/78/34/65/1130783465.db2.gz BISQEBCHMFFDCT-GHMZBOCLSA-N 0 1 297.240 3.630 20 0 CHADMN COc1ccc(CN[C@H](C)c2csc(Cl)c2)cc1O ZINC000191252936 1126949868 /nfs/dbraw/zinc/94/98/68/1126949868.db2.gz MUINMXXMFIMWDK-SECBINFHSA-N 0 1 297.807 3.967 20 0 CHADMN CCCC[C@@H](C)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000191602477 1126953879 /nfs/dbraw/zinc/95/38/79/1126953879.db2.gz MHJAXODJXWNELA-KGLIPLIRSA-N 0 1 287.407 3.890 20 0 CHADMN CCn1cc(CN[C@@H](C)c2oc3ccccc3c2C)cn1 ZINC000191724161 1126954374 /nfs/dbraw/zinc/95/43/74/1126954374.db2.gz TZNTWXILEUWUCF-ZDUSSCGKSA-N 0 1 283.375 3.808 20 0 CHADMN Cc1cnc(C(C)(C)N[C@@H]2C[C@@H]2c2cccc(F)c2)s1 ZINC000906586059 1126959018 /nfs/dbraw/zinc/95/90/18/1126959018.db2.gz CKWUDKWPJQUIIE-ZIAGYGMSSA-N 0 1 290.407 3.971 20 0 CHADMN Cc1cnc([C@H](C)N[C@H]2C[C@@H]2c2cccc(F)c2)s1 ZINC000906588836 1126959721 /nfs/dbraw/zinc/95/97/21/1126959721.db2.gz UDPWEGSRWMBAAA-GDLCADMTSA-N 0 1 276.380 3.797 20 0 CHADMN O=C(Nc1cccc(-c2nnc[nH]2)c1)[C@@H]1CCC=CCCC1 ZINC000906684503 1126962750 /nfs/dbraw/zinc/96/27/50/1126962750.db2.gz BICNGZUIZRSICQ-CYBMUJFWSA-N 0 1 296.374 3.547 20 0 CHADMN CCN(CC)c1ccc(CN[C@@H]2CCCc3occc32)cn1 ZINC000192706508 1126963191 /nfs/dbraw/zinc/96/31/91/1126963191.db2.gz CUFRQUBALZUDLB-MRXNPFEDSA-N 0 1 299.418 3.688 20 0 CHADMN COC[C@H](NCc1cccc(O)c1)c1ccc(Cl)cc1 ZINC000193275754 1126967363 /nfs/dbraw/zinc/96/73/63/1126967363.db2.gz MVXAUAXDNAFILJ-INIZCTEOSA-N 0 1 291.778 3.523 20 0 CHADMN C[C@H](NCc1ccc(C(C)(C)C)cc1)c1ccnn1C ZINC000192778917 1126964162 /nfs/dbraw/zinc/96/41/62/1126964162.db2.gz DYMUQLRWQYFFDQ-ZDUSSCGKSA-N 0 1 271.408 3.568 20 0 CHADMN CCCOc1ccc(CN[C@@H]2CCCc3occc32)cn1 ZINC000192845624 1126964945 /nfs/dbraw/zinc/96/49/45/1126964945.db2.gz NFBZCXWWFQNECT-OAHLLOKOSA-N 0 1 286.375 3.631 20 0 CHADMN CCc1noc(CC)c1CNCc1cc(Cl)cs1 ZINC000193144860 1126966825 /nfs/dbraw/zinc/96/68/25/1126966825.db2.gz IBGFORDBUOFUOO-UHFFFAOYSA-N 0 1 284.812 3.804 20 0 CHADMN C[C@H](NCc1cnc(Cl)s1)c1ccsc1 ZINC000380110338 1126967829 /nfs/dbraw/zinc/96/78/29/1126967829.db2.gz OAWJJGKLVXWLGI-ZETCQYMHSA-N 0 1 258.799 3.709 20 0 CHADMN CCO[C@@H](CN[C@H](C)c1nccs1)c1ccccc1 ZINC000193429290 1126969588 /nfs/dbraw/zinc/96/95/88/1126969588.db2.gz JNSSOZQBULYZIB-OCCSQVGLSA-N 0 1 276.405 3.572 20 0 CHADMN C=Cn1cc(CN2CCc3sccc3[C@@H]2CC)cn1 ZINC000193743024 1126970634 /nfs/dbraw/zinc/97/06/34/1126970634.db2.gz YQYNZCWFPPXUEH-AWEZNQCLSA-N 0 1 273.405 3.555 20 0 CHADMN COC[C@@H](N[C@H](C)c1cccnc1)c1ccc(Cl)cc1 ZINC000193948256 1126971797 /nfs/dbraw/zinc/97/17/97/1126971797.db2.gz DCUORXJHNZCOIU-MLGOLLRUSA-N 0 1 290.794 3.773 20 0 CHADMN C[C@H]1CCN(Cc2cc(Cl)cs2)C[C@@H]1n1ccnc1 ZINC000194433521 1126974814 /nfs/dbraw/zinc/97/48/14/1126974814.db2.gz JXHDJFZWSQAQSJ-FZMZJTMJSA-N 0 1 295.839 3.681 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccccc2SC)cn1 ZINC000194841683 1126977090 /nfs/dbraw/zinc/97/70/90/1126977090.db2.gz HRXHGVWEGOHIRC-LBPRGKRZSA-N 0 1 288.416 3.663 20 0 CHADMN Cc1ccc(-c2nc(CN[C@H]3CCSC3)cs2)cc1 ZINC000266133883 1126980387 /nfs/dbraw/zinc/98/03/87/1126980387.db2.gz DWCBPOITQOWVQV-ZDUSSCGKSA-N 0 1 290.457 3.714 20 0 CHADMN CCN(CCC(F)(F)F)[C@H](C)c1cccc(O)c1 ZINC000266915614 1126990166 /nfs/dbraw/zinc/99/01/66/1126990166.db2.gz KEZDWCQFOJVHQS-SNVBAGLBSA-N 0 1 261.287 3.728 20 0 CHADMN C[C@H]1[C@H](Cc2ccccc2)CCN1Cc1cscn1 ZINC000266936270 1126991171 /nfs/dbraw/zinc/99/11/71/1126991171.db2.gz OJMVYGIAAJIQFT-ZFWWWQNUSA-N 0 1 272.417 3.596 20 0 CHADMN CC(C)(C(=O)Nc1ccc2nc[nH]c2c1)c1ccc(F)cc1 ZINC000486711435 1126996783 /nfs/dbraw/zinc/99/67/83/1126996783.db2.gz FPKSUQAEUHFQIS-UHFFFAOYSA-N 0 1 297.333 3.618 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1nc(CC(C)C)no1 ZINC000486793761 1127002264 /nfs/dbraw/zinc/00/22/64/1127002264.db2.gz KEGWRLQTFKXTQI-KBPBESRZSA-N 0 1 279.428 3.669 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1Cc1nc(CC(C)C)no1 ZINC000486793761 1127002270 /nfs/dbraw/zinc/00/22/70/1127002270.db2.gz KEGWRLQTFKXTQI-KBPBESRZSA-N 0 1 279.428 3.669 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1nc(CC(C)C)no1 ZINC000486793766 1127002969 /nfs/dbraw/zinc/00/29/69/1127002969.db2.gz KEGWRLQTFKXTQI-ZIAGYGMSSA-N 0 1 279.428 3.669 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1Cc1nc(CC(C)C)no1 ZINC000486793766 1127002972 /nfs/dbraw/zinc/00/29/72/1127002972.db2.gz KEGWRLQTFKXTQI-ZIAGYGMSSA-N 0 1 279.428 3.669 20 0 CHADMN CCCCCN(C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21)C(C)C ZINC000630026832 1127007835 /nfs/dbraw/zinc/00/78/35/1127007835.db2.gz JSHNAJLJICHSFP-DZGCQCFKSA-N 0 1 291.439 3.503 20 0 CHADMN O=C(NCc1ccc2nc[nH]c2c1)C1(C2CCCCC2)CC1 ZINC000908747830 1127014764 /nfs/dbraw/zinc/01/47/64/1127014764.db2.gz QWHSFWPHZGNZPI-UHFFFAOYSA-N 0 1 297.402 3.540 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN2CCC(c3ccon3)CC2)o1 ZINC000668713988 1127013071 /nfs/dbraw/zinc/01/30/71/1127013071.db2.gz GTYZGNMLYPXGIO-SWLSCSKDSA-N 0 1 286.375 3.771 20 0 CHADMN O=C(C[C@H]1CCCN1CCC(F)(F)F)c1cccs1 ZINC000268201149 1127014156 /nfs/dbraw/zinc/01/41/56/1127014156.db2.gz HVJGGVWRXWEISB-SNVBAGLBSA-N 0 1 291.338 3.738 20 0 CHADMN COCCOc1ccccc1CN[C@H](C)c1cccs1 ZINC000268795852 1127024271 /nfs/dbraw/zinc/02/42/71/1127024271.db2.gz OASMJTFNPDPJOS-CYBMUJFWSA-N 0 1 291.416 3.624 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2ccccn2)ccc1F ZINC000268704325 1127020628 /nfs/dbraw/zinc/02/06/28/1127020628.db2.gz HIPCGPUCOVCBQR-QWHCGFSZSA-N 0 1 258.340 3.941 20 0 CHADMN CCOC1(C)CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000428721311 1127020920 /nfs/dbraw/zinc/02/09/20/1127020920.db2.gz STOPRBXPNZGHMT-UHFFFAOYSA-N 0 1 285.790 3.870 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2ccccn2)ccc1F ZINC000268704328 1127020963 /nfs/dbraw/zinc/02/09/63/1127020963.db2.gz HIPCGPUCOVCBQR-STQMWFEESA-N 0 1 258.340 3.941 20 0 CHADMN CC[C@H](C)[C@@H](C)N[C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000268760143 1127023028 /nfs/dbraw/zinc/02/30/28/1127023028.db2.gz KZKOXEPCPYHOJO-WOSRLPQWSA-N 0 1 289.398 3.673 20 0 CHADMN c1[nH]nc2c1CCC[C@H]2[NH2+]Cc1cc2ccccc2s1 ZINC000268800059 1127024945 /nfs/dbraw/zinc/02/49/45/1127024945.db2.gz ARRQPAVYSGGVBR-CQSZACIVSA-N 0 1 283.400 3.792 20 0 CHADMN C[C@@H](NCCSC(F)(F)F)c1cccnc1Cl ZINC000268768819 1127023127 /nfs/dbraw/zinc/02/31/27/1127023127.db2.gz DBACQNHVUCXPFU-SSDOTTSWSA-N 0 1 284.734 3.639 20 0 CHADMN Cc1ccc([C@@H](N[C@H](C)c2cnccn2)C2CC2)cc1 ZINC000268788513 1127023410 /nfs/dbraw/zinc/02/34/10/1127023410.db2.gz WSWGGOYFNILSLW-CXAGYDPISA-N 0 1 267.376 3.587 20 0 CHADMN c1[nH]nc2c1CCC[C@H]2NCc1cc2ccccc2s1 ZINC000268800059 1127024948 /nfs/dbraw/zinc/02/49/48/1127024948.db2.gz ARRQPAVYSGGVBR-CQSZACIVSA-N 0 1 283.400 3.792 20 0 CHADMN Cc1ncc([C@H](C)N[C@H]2CCSc3ccccc32)c(C)n1 ZINC000268828112 1127025344 /nfs/dbraw/zinc/02/53/44/1127025344.db2.gz QFUBHYLOVBZTFL-LRDDRELGSA-N 0 1 299.443 3.981 20 0 CHADMN Cc1ccc2nc(CN[C@H]3CCc4cc(F)ccc43)cn2c1 ZINC000268862635 1127026617 /nfs/dbraw/zinc/02/66/17/1127026617.db2.gz JXFKKMNWFKGQEQ-KRWDZBQOSA-N 0 1 295.361 3.559 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@H](C)c1cccs1 ZINC000268856467 1127026634 /nfs/dbraw/zinc/02/66/34/1127026634.db2.gz QKNWEPRZZPBHMP-GFCCVEGCSA-N 0 1 276.405 3.619 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2cnn(C)c2C)o1 ZINC000268867948 1127026687 /nfs/dbraw/zinc/02/66/87/1127026687.db2.gz AHVCCGZOZHDLLD-WBMJQRKESA-N 0 1 287.407 3.603 20 0 CHADMN C[C@@H](NCc1cc(F)ccc1F)c1ccc2c(c1)COC2 ZINC000268901279 1127027945 /nfs/dbraw/zinc/02/79/45/1127027945.db2.gz RCMUARBFUBPICN-LLVKDONJSA-N 0 1 289.325 3.846 20 0 CHADMN Cc1c(CNC2(c3ccc(Cl)cc3)CCC2)cnn1C ZINC000268928496 1127029209 /nfs/dbraw/zinc/02/92/09/1127029209.db2.gz XDXYLBKTRIVEHP-UHFFFAOYSA-N 0 1 289.810 3.551 20 0 CHADMN CC[C@H](NC[C@H](O)c1ccc(C)o1)c1ccc(F)cc1F ZINC000269079541 1127034657 /nfs/dbraw/zinc/03/46/57/1127034657.db2.gz ZCVCUXNXGNJUIU-GJZGRUSLSA-N 0 1 295.329 3.641 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1ccccc1)c1ccc(F)cc1F ZINC000268984063 1127031221 /nfs/dbraw/zinc/03/12/21/1127031221.db2.gz DPXKJYFVDIBHAZ-SJORKVTESA-N 0 1 291.341 3.739 20 0 CHADMN CC[C@H](N[C@H](C)[C@@H](C)OC)c1nc(C(F)(F)F)cs1 ZINC000269002355 1127031880 /nfs/dbraw/zinc/03/18/80/1127031880.db2.gz VBPPKORNXIDLQR-HLTSFMKQSA-N 0 1 296.358 3.626 20 0 CHADMN CC1(C)Cc2occc2[C@H](N[C@H]2c3ccccc3C[C@H]2O)C1 ZINC000269026363 1127032638 /nfs/dbraw/zinc/03/26/38/1127032638.db2.gz CQEPZFYKDQJFPN-NUJGCVRESA-N 0 1 297.398 3.541 20 0 CHADMN CCC[C@@H](C)N(C)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000487576486 1127036597 /nfs/dbraw/zinc/03/65/97/1127036597.db2.gz WYABNGUVLQKCLE-GFCCVEGCSA-N 0 1 293.361 3.771 20 0 CHADMN CC(C)(C)c1[nH]ncc1C(=O)Nc1ccc(C2CC2)cc1 ZINC000645958654 1127038197 /nfs/dbraw/zinc/03/81/97/1127038197.db2.gz FXVCBOZPRWOMFA-UHFFFAOYSA-N 0 1 283.375 3.837 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H](C)Oc2ccccc2C)cs1 ZINC000269404794 1127039042 /nfs/dbraw/zinc/03/90/42/1127039042.db2.gz HLCMWELMHCKBRF-QWHCGFSZSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000269615737 1127043167 /nfs/dbraw/zinc/04/31/67/1127043167.db2.gz LPMGWRCFDFCKHR-RYUDHWBXSA-N 0 1 297.383 3.675 20 0 CHADMN Cc1nn(-c2ccccc2)c(C)c1CNCc1ccoc1C ZINC000067217926 1127043693 /nfs/dbraw/zinc/04/36/93/1127043693.db2.gz URUGZLHXVNYIEN-UHFFFAOYSA-N 0 1 295.386 3.680 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1Cc1nccs1 ZINC000269633597 1127043961 /nfs/dbraw/zinc/04/39/61/1127043961.db2.gz INXGONPGBSATIP-CQSZACIVSA-N 0 1 258.390 3.789 20 0 CHADMN COCCN(Cc1cnccc1C)[C@@H](C)c1ccccc1 ZINC000269590832 1127042362 /nfs/dbraw/zinc/04/23/62/1127042362.db2.gz SHWULGAENZTROC-INIZCTEOSA-N 0 1 284.403 3.600 20 0 CHADMN Fc1ccc(F)c2c1CC[C@@H]2NCc1ccccc1 ZINC000269881095 1127046864 /nfs/dbraw/zinc/04/68/64/1127046864.db2.gz YUNVTXGLPAVQJP-HNNXBMFYSA-N 0 1 259.299 3.742 20 0 CHADMN Fc1ccc(F)c2c1CC[C@H]2NCc1ccccc1 ZINC000269881097 1127047452 /nfs/dbraw/zinc/04/74/52/1127047452.db2.gz YUNVTXGLPAVQJP-OAHLLOKOSA-N 0 1 259.299 3.742 20 0 CHADMN COc1cccc(CN[C@H]2CCc3c2c(F)ccc3F)c1 ZINC000269871436 1127047648 /nfs/dbraw/zinc/04/76/48/1127047648.db2.gz VBACKAYDSMXGRY-INIZCTEOSA-N 0 1 289.325 3.751 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1oc(C)nc1C ZINC001236593660 1130981729 /nfs/dbraw/zinc/98/17/29/1130981729.db2.gz HTGNOOQKHKNGQF-OAHLLOKOSA-N 0 1 258.365 3.875 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)cc1F)c1cccc(CO)c1 ZINC000270431853 1127055024 /nfs/dbraw/zinc/05/50/24/1127055024.db2.gz IHSZQSJNODIACD-NEPJUHHUSA-N 0 1 291.341 3.869 20 0 CHADMN CCC[N@@H+](CC)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000270681616 1127060419 /nfs/dbraw/zinc/06/04/19/1127060419.db2.gz CNORXPZSZQIGQB-LBPRGKRZSA-N 0 1 289.379 3.538 20 0 CHADMN CCCN(CC)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000270681616 1127060422 /nfs/dbraw/zinc/06/04/22/1127060422.db2.gz CNORXPZSZQIGQB-LBPRGKRZSA-N 0 1 289.379 3.538 20 0 CHADMN Cc1ccc2nc(CN(C)[C@@H]3CCc4ccccc43)cn2c1 ZINC000042635174 1127061272 /nfs/dbraw/zinc/06/12/72/1127061272.db2.gz UXAHOIUOARRAPV-GOSISDBHSA-N 0 1 291.398 3.762 20 0 CHADMN C[C@@H]1CSCCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000488198794 1127061592 /nfs/dbraw/zinc/06/15/92/1127061592.db2.gz KAFCFVYDSOEOSV-JTQLQIEISA-N 0 1 273.804 3.664 20 0 CHADMN CN(Cc1cc(Cl)c(F)c(Cl)c1)[C@H]1CCCOC1 ZINC001236659594 1130989388 /nfs/dbraw/zinc/98/93/88/1130989388.db2.gz QGALWNQAUPHWGK-JTQLQIEISA-N 0 1 292.181 3.743 20 0 CHADMN CC(C)c1nc(CSc2ccccc2Cl)n[nH]1 ZINC000488213170 1127063318 /nfs/dbraw/zinc/06/33/18/1127063318.db2.gz BXMJNLGMHQPYPX-UHFFFAOYSA-N 0 1 267.785 3.874 20 0 CHADMN Cn1nccc1CN(Cc1cccc(F)c1)C1CCCC1 ZINC000270955246 1127063628 /nfs/dbraw/zinc/06/36/28/1127063628.db2.gz MJPVZLWLQKKZLT-UHFFFAOYSA-N 0 1 287.382 3.504 20 0 CHADMN CCN(Cc1ccncc1)Cc1ccc(OC(F)F)cc1 ZINC000271042097 1127065469 /nfs/dbraw/zinc/06/54/69/1127065469.db2.gz UAIFUUWVXYOCTG-UHFFFAOYSA-N 0 1 292.329 3.705 20 0 CHADMN COc1ncccc1CN1CCC[C@H]1/C=C/c1ccccc1 ZINC000488246598 1127065630 /nfs/dbraw/zinc/06/56/30/1127065630.db2.gz IRWVXICWDGQBMS-DXRVJIQQSA-N 0 1 294.398 3.768 20 0 CHADMN COCc1ccc(CN(C)[C@@H](C)c2ccccc2)o1 ZINC000271031260 1127066325 /nfs/dbraw/zinc/06/63/25/1127066325.db2.gz HSRUPVKFVUVFQT-ZDUSSCGKSA-N 0 1 259.349 3.619 20 0 CHADMN Cc1cccc2c1[C@@H](C)C[C@H]2NCc1cn2ccccc2n1 ZINC000271139629 1127069469 /nfs/dbraw/zinc/06/94/69/1127069469.db2.gz NZJKGABCGQBLNL-WMLDXEAASA-N 0 1 291.398 3.981 20 0 CHADMN CC(C)[C@@H]1CN(Cc2cc3ccc(F)cc3[nH]2)CCS1 ZINC000488316284 1127071734 /nfs/dbraw/zinc/07/17/34/1127071734.db2.gz GFBXMHVUFLJFRK-INIZCTEOSA-N 0 1 292.423 3.880 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000271418494 1127079878 /nfs/dbraw/zinc/07/98/78/1127079878.db2.gz BFGJEKCYGCTWIX-BDJLRTHQSA-N 0 1 293.769 3.863 20 0 CHADMN C[C@@H](CN[C@@H](C)c1cscn1)Oc1cccc(Cl)c1 ZINC000271440759 1127081702 /nfs/dbraw/zinc/08/17/02/1127081702.db2.gz DGSJPVYCOCLRSF-QWRGUYRKSA-N 0 1 296.823 3.915 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(OC)cc1 ZINC000271446022 1127081859 /nfs/dbraw/zinc/08/18/59/1127081859.db2.gz CYJOSKOHLBQNMP-CVEARBPZSA-N 0 1 285.391 3.537 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1cccc(OC(F)(F)F)c1 ZINC000271451571 1127082498 /nfs/dbraw/zinc/08/24/98/1127082498.db2.gz GERZJMUVTHYFDM-ZJUUUORDSA-N 0 1 299.296 3.720 20 0 CHADMN C=Cc1ccc(-c2cnc([C@@H]3CCCCN3)nc2)cc1 ZINC000911596127 1127083624 /nfs/dbraw/zinc/08/36/24/1127083624.db2.gz PZDKVQFOFVUKIU-INIZCTEOSA-N 0 1 265.360 3.601 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](CO)c2ccc(F)cc2)s1 ZINC000271464847 1127083722 /nfs/dbraw/zinc/08/37/22/1127083722.db2.gz KXCXDORMBCEJGU-ABAIWWIYSA-N 0 1 293.407 3.834 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H](C)c2cc(F)ccc2F)n[nH]1 ZINC000271466308 1127083885 /nfs/dbraw/zinc/08/38/85/1127083885.db2.gz HYUKDBMARISHPQ-ZJUUUORDSA-N 0 1 294.349 3.618 20 0 CHADMN Clc1ccc2c(c1)CC[C@H]2N[C@@H]1CCCc2c[nH]nc21 ZINC000271463157 1127084055 /nfs/dbraw/zinc/08/40/55/1127084055.db2.gz GKDSCZWXTOBJMO-HUUCEWRRSA-N 0 1 287.794 3.718 20 0 CHADMN CO[C@H](c1ccc(F)cc1)[C@@H](C)N[C@@H](C)c1nccs1 ZINC000271484785 1127085718 /nfs/dbraw/zinc/08/57/18/1127085718.db2.gz KBNWGSDQMLXAAC-SUNKGSAMSA-N 0 1 294.395 3.709 20 0 CHADMN OC[C@@H](N[C@@H]1CCCc2sccc21)c1ccc(F)cc1 ZINC000271485404 1127086105 /nfs/dbraw/zinc/08/61/05/1127086105.db2.gz OEXXLLHOOUJJLA-HUUCEWRRSA-N 0 1 291.391 3.588 20 0 CHADMN CCc1cccc2c1OCC[C@H]2N[C@H](C)c1cncs1 ZINC000271502825 1127087335 /nfs/dbraw/zinc/08/73/35/1127087335.db2.gz QWEQZMJXVZJDCE-BXUZGUMPSA-N 0 1 288.416 3.880 20 0 CHADMN CCOc1ccc([C@H](C)N[C@H]2CCCc3c[nH]nc32)cc1 ZINC000271505464 1127087896 /nfs/dbraw/zinc/08/78/96/1127087896.db2.gz MTBRFNZBNSFWMQ-LRDDRELGSA-N 0 1 285.391 3.537 20 0 CHADMN Cc1nc(C)c(C(=O)N(CC(C)C)c2ccc(C)cc2C)[nH]1 ZINC000911863907 1127087940 /nfs/dbraw/zinc/08/79/40/1127087940.db2.gz CBHFYOVWNOHGFU-UHFFFAOYSA-N 0 1 299.418 3.946 20 0 CHADMN Cc1n[nH]cc1CN[C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000271516664 1127087944 /nfs/dbraw/zinc/08/79/44/1127087944.db2.gz PODFPTUALZIMKJ-MRVPVSSYSA-N 0 1 284.190 3.876 20 0 CHADMN CCc1nc([C@H](C)N[C@H](C)c2ccc(C(C)C)cc2)n[nH]1 ZINC000271520632 1127088384 /nfs/dbraw/zinc/08/83/84/1127088384.db2.gz OIVSGGDQCIGFQF-OLZOCXBDSA-N 0 1 286.423 3.902 20 0 CHADMN C[C@H](NCc1ccc(OC2CCCC2)cc1)c1cnn(C)c1 ZINC000271517184 1127088458 /nfs/dbraw/zinc/08/84/58/1127088458.db2.gz UGMZJFKDGFWJAV-AWEZNQCLSA-N 0 1 299.418 3.592 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@@H](CO)c2ccc(F)cc2)c1 ZINC000271520880 1127088654 /nfs/dbraw/zinc/08/86/54/1127088654.db2.gz UVHHZMKECFXNMX-KDOFPFPSSA-N 0 1 287.378 3.827 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](CC)c2ccc(Cl)s2)n[nH]1 ZINC000271514210 1127088746 /nfs/dbraw/zinc/08/87/46/1127088746.db2.gz NOHFSIRJXBFAQW-IUCAKERBSA-N 0 1 298.843 3.884 20 0 CHADMN COc1ccc2oc([C@H](C)N[C@@H](C)c3cn[nH]c3)c(C)c2c1 ZINC000271519082 1127089003 /nfs/dbraw/zinc/08/90/03/1127089003.db2.gz OEMAAQRJANIKLC-RYUDHWBXSA-N 0 1 299.374 3.885 20 0 CHADMN CCCc1ccc([C@@H](C)N[C@H](C)c2n[nH]c(CC)n2)cc1 ZINC000271534198 1127089971 /nfs/dbraw/zinc/08/99/71/1127089971.db2.gz QAWMXVOXUATEJV-CHWSQXEVSA-N 0 1 286.423 3.731 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](C)c2cc(C)c(C)cc2C)n[nH]1 ZINC000271543290 1127090850 /nfs/dbraw/zinc/09/08/50/1127090850.db2.gz RBADQVRJZGRAQX-ZIAGYGMSSA-N 0 1 286.423 3.704 20 0 CHADMN Cc1ccc(OC(F)F)c([C@H](C)N[C@H](C)c2cn[nH]c2)c1 ZINC000271549224 1127091226 /nfs/dbraw/zinc/09/12/26/1127091226.db2.gz RWVPFNAMOIZTJM-MNOVXSKESA-N 0 1 295.333 3.731 20 0 CHADMN C[C@@H](N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cn[nH]c1 ZINC000271573631 1127092852 /nfs/dbraw/zinc/09/28/52/1127092852.db2.gz WBLKDFBMEYIWAN-CJNGLKHVSA-N 0 1 297.402 3.897 20 0 CHADMN COc1ccc([C@H](C)NCc2cnc(Cl)s2)cc1 ZINC000271652092 1127096220 /nfs/dbraw/zinc/09/62/20/1127096220.db2.gz JFYVEXQDZBNVNC-VIFPVBQESA-N 0 1 282.796 3.656 20 0 CHADMN C[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@@H]1CC1(C)C ZINC000489502928 1127105897 /nfs/dbraw/zinc/10/58/97/1127105897.db2.gz ZMNOOFPHMJVSMB-OAHLLOKOSA-N 0 1 274.339 3.711 20 0 CHADMN CN(Cc1cc(-c2ccc(F)cc2)no1)[C@@H]1CC1(C)C ZINC000489502928 1127105899 /nfs/dbraw/zinc/10/58/99/1127105899.db2.gz ZMNOOFPHMJVSMB-OAHLLOKOSA-N 0 1 274.339 3.711 20 0 CHADMN CC(C)c1cc(C(=O)N(C)[C@H](C)C2CCCCC2)n[nH]1 ZINC000283068704 1127121722 /nfs/dbraw/zinc/12/17/22/1127121722.db2.gz CTCFNRSNXHGTPX-GFCCVEGCSA-N 0 1 277.412 3.574 20 0 CHADMN C[C@@H](CCCC(F)(F)F)NCc1nccc(C(F)F)n1 ZINC000348641519 1127123290 /nfs/dbraw/zinc/12/32/90/1127123290.db2.gz LOZIKTRYTAXVHB-QMMMGPOBSA-N 0 1 297.271 3.625 20 0 CHADMN CC(C)C[C@H](C)C[C@H](C)NCc1nccc(C(F)F)n1 ZINC000348752226 1127126544 /nfs/dbraw/zinc/12/65/44/1127126544.db2.gz GIVWRLWISGBVSG-RYUDHWBXSA-N 0 1 285.382 3.965 20 0 CHADMN Cc1ccc(O)c(CNCc2ccc(-c3ccccc3)o2)n1 ZINC000348799735 1127127458 /nfs/dbraw/zinc/12/74/58/1127127458.db2.gz XLSIUUKYPPGAFV-UHFFFAOYSA-N 0 1 294.354 3.645 20 0 CHADMN Cc1noc([C@@H]2CCCCN2C[C@H]2C[C@H]2c2ccccc2)n1 ZINC000348836988 1127130813 /nfs/dbraw/zinc/13/08/13/1127130813.db2.gz ZAGFYCIVLWVVBN-IKGGRYGDSA-N 0 1 297.402 3.709 20 0 CHADMN C[C@@H]1C[C@@H]1CN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000348889696 1127133780 /nfs/dbraw/zinc/13/37/80/1127133780.db2.gz CPFVEQJRTULNNT-BNOWGMLFSA-N 0 1 275.396 3.520 20 0 CHADMN C[C@H](NCc1cccc(OC(C)(C)C)n1)c1ccncc1 ZINC000348961780 1127135406 /nfs/dbraw/zinc/13/54/06/1127135406.db2.gz FPHTWHXPUMUZBU-ZDUSSCGKSA-N 0 1 285.391 3.505 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2cccnc2)ccc1F ZINC000348935948 1127135460 /nfs/dbraw/zinc/13/54/60/1127135460.db2.gz RFIXEPMBCCTINU-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CCCOC1(CNCc2nc(C)cs2)CCCCC1 ZINC000349192848 1127142666 /nfs/dbraw/zinc/14/26/66/1127142666.db2.gz PTXFFBNOBJMHPP-UHFFFAOYSA-N 0 1 282.453 3.671 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)[nH]1 ZINC000283600779 1127146657 /nfs/dbraw/zinc/14/66/57/1127146657.db2.gz YHCYRTBNDIPLAY-DGCLKSJQSA-N 0 1 285.391 3.522 20 0 CHADMN CCN(Cc1occc1C)Cc1ccc(OC)c(F)c1 ZINC000349524116 1127153385 /nfs/dbraw/zinc/15/33/85/1127153385.db2.gz RSMKDRCYZNEOOF-UHFFFAOYSA-N 0 1 277.339 3.758 20 0 CHADMN OC[C@@H](NCc1csc2ccccc12)c1ccsc1 ZINC000349561966 1127154011 /nfs/dbraw/zinc/15/40/11/1127154011.db2.gz COKBORIBADMUJT-CQSZACIVSA-N 0 1 289.425 3.786 20 0 CHADMN OC[C@@H](NCc1ccc2ccccc2c1)c1ccsc1 ZINC000349562828 1127154253 /nfs/dbraw/zinc/15/42/53/1127154253.db2.gz FYZFEQBMSPJRKW-QGZVFWFLSA-N 0 1 283.396 3.725 20 0 CHADMN Cc1ccc([C@H](N[C@H]2c3ccccc3C[C@@H]2O)C2CCC2)o1 ZINC000349454710 1127151406 /nfs/dbraw/zinc/15/14/06/1127151406.db2.gz PUGKDKUEGOGXKH-UHOSZYNNSA-N 0 1 297.398 3.677 20 0 CHADMN OC[C@H](NCc1cc2ccccc2s1)c1ccsc1 ZINC000349703271 1127158799 /nfs/dbraw/zinc/15/87/99/1127158799.db2.gz OWXYVELYGPFURU-AWEZNQCLSA-N 0 1 289.425 3.786 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2cc3sccc3s2)n1 ZINC000156492055 1127158862 /nfs/dbraw/zinc/15/88/62/1127158862.db2.gz PNHCSLZQMOKXAC-SNVBAGLBSA-N 0 1 279.390 3.669 20 0 CHADMN Cc1c(CN(C)[C@@H](C)c2cc3ccccc3o2)cnn1C ZINC000349789451 1127161329 /nfs/dbraw/zinc/16/13/29/1127161329.db2.gz CHPVCMIITZKPJT-ZDUSSCGKSA-N 0 1 283.375 3.668 20 0 CHADMN c1ccc(CN(Cc2cccc3c2OCO3)C2CC2)cc1 ZINC000349800226 1127161572 /nfs/dbraw/zinc/16/15/72/1127161572.db2.gz MZAWVMQTSCBVIC-UHFFFAOYSA-N 0 1 281.355 3.580 20 0 CHADMN CCCn1c2ccccc2nc1CN(C)CC(C)C ZINC000349861023 1127165768 /nfs/dbraw/zinc/16/57/68/1127165768.db2.gz MLIWAVZOUXOEHQ-UHFFFAOYSA-N 0 1 259.397 3.534 20 0 CHADMN CC(C)(CF)NCc1cnc(-c2ccsc2)s1 ZINC000349814662 1127162779 /nfs/dbraw/zinc/16/27/79/1127162779.db2.gz VHINVFQJQYCSBS-UHFFFAOYSA-N 0 1 270.398 3.709 20 0 CHADMN Cc1nc2ccccn2c1C[N@H+](Cc1ccco1)C(C)C ZINC000349817966 1127163292 /nfs/dbraw/zinc/16/32/92/1127163292.db2.gz FARYLUPXOBTLQE-UHFFFAOYSA-N 0 1 283.375 3.646 20 0 CHADMN Cc1nc2ccccn2c1CN(Cc1ccco1)C(C)C ZINC000349817966 1127163294 /nfs/dbraw/zinc/16/32/94/1127163294.db2.gz FARYLUPXOBTLQE-UHFFFAOYSA-N 0 1 283.375 3.646 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN(Cc2ccco2)C(C)C)o1 ZINC000349830145 1127164173 /nfs/dbraw/zinc/16/41/73/1127164173.db2.gz FBXICEWKKJKKAH-UHFFFAOYSA-N 0 1 299.374 3.982 20 0 CHADMN Clc1ccccc1CCSc1nc(C2CC2)n[nH]1 ZINC000349905007 1127167207 /nfs/dbraw/zinc/16/72/07/1127167207.db2.gz RWKGJIXSERJEEV-UHFFFAOYSA-N 0 1 279.796 3.670 20 0 CHADMN Clc1ccccc1CCSc1n[nH]c(C2CC2)n1 ZINC000349905007 1127167209 /nfs/dbraw/zinc/16/72/09/1127167209.db2.gz RWKGJIXSERJEEV-UHFFFAOYSA-N 0 1 279.796 3.670 20 0 CHADMN Cc1cccc(CN(C)C/C=C\c2ccc(F)cc2F)n1 ZINC000349968467 1127169050 /nfs/dbraw/zinc/16/90/50/1127169050.db2.gz HNJIVVBLBHYXRB-XQRVVYSFSA-N 0 1 288.341 3.813 20 0 CHADMN CCc1ncc(CN(CC)Cc2ccc(OC)cc2)s1 ZINC000350281431 1127176342 /nfs/dbraw/zinc/17/63/42/1127176342.db2.gz XJYOGHMPXHZLAX-UHFFFAOYSA-N 0 1 290.432 3.736 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc3cc(C)c(C)cc3o2)n(C)n1 ZINC000284081888 1127172780 /nfs/dbraw/zinc/17/27/80/1127172780.db2.gz BDHPSIHSGCFDAW-CQSZACIVSA-N 0 1 297.402 3.942 20 0 CHADMN COCC[C@H](NCc1ccc2c(c1)CCC2)c1ccc(C)o1 ZINC000350250512 1127176527 /nfs/dbraw/zinc/17/65/27/1127176527.db2.gz OESCFJFJXCBICH-SFHVURJKSA-N 0 1 299.414 3.944 20 0 CHADMN CC(C)N(Cc1cccs1)Cc1cnn2ccccc12 ZINC000350301290 1127175985 /nfs/dbraw/zinc/17/59/85/1127175985.db2.gz MUVOXENAHGBKHK-UHFFFAOYSA-N 0 1 285.416 3.806 20 0 CHADMN Cc1cc([C@H](C)NCCCCOc2ccc(F)cc2)no1 ZINC000284182649 1127177480 /nfs/dbraw/zinc/17/74/80/1127177480.db2.gz RCJAQKBBLNYBNQ-ZDUSSCGKSA-N 0 1 292.354 3.632 20 0 CHADMN CC[C@@H](CN[C@H](C)c1cc(C)on1)Oc1ccccc1F ZINC000284208180 1127178259 /nfs/dbraw/zinc/17/82/59/1127178259.db2.gz SMHHWLZSZWGUBI-OLZOCXBDSA-N 0 1 292.354 3.630 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cn[nH]c2)c(OC(C)(C)C)c1 ZINC000284309427 1127180487 /nfs/dbraw/zinc/18/04/87/1127180487.db2.gz ZFAPJWPWCQBCBK-ZDUSSCGKSA-N 0 1 287.407 3.746 20 0 CHADMN O=C([O-])C[N@H+](Cc1ccccc1)CC1CCCCCC1 ZINC000571930845 1127183449 /nfs/dbraw/zinc/18/34/49/1127183449.db2.gz RKXNFXZQFMJJCO-UHFFFAOYSA-N 0 1 275.392 3.544 20 0 CHADMN C[C@@H]1CCC[C@H](CCN2CCC[C@@H]2c2ncc[nH]2)C1 ZINC000351023470 1127184124 /nfs/dbraw/zinc/18/41/24/1127184124.db2.gz AEXHQSGDOGVRJD-RBSFLKMASA-N 0 1 261.413 3.763 20 0 CHADMN COc1ccccc1[C@@H](N[C@@H]1CCC1(C)C)c1ccccn1 ZINC000284511135 1127187389 /nfs/dbraw/zinc/18/73/89/1127187389.db2.gz WCKSWERMEOYZON-QZTJIDSGSA-N 0 1 296.414 3.958 20 0 CHADMN CC[C@@](C)(NC[C@@H](OC)c1ccccc1)c1nccs1 ZINC000284486768 1127186072 /nfs/dbraw/zinc/18/60/72/1127186072.db2.gz UDLYKNKQSJVVGK-GDBMZVCRSA-N 0 1 290.432 3.746 20 0 CHADMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1nccs1 ZINC000351205944 1127186685 /nfs/dbraw/zinc/18/66/85/1127186685.db2.gz SOEBPCAOHXTCAS-YGRLFVJLSA-N 0 1 296.823 3.662 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(C(F)(F)F)cc2)n(C)n1 ZINC000284514346 1127188126 /nfs/dbraw/zinc/18/81/26/1127188126.db2.gz UGBJPSWTNIHUKI-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN Cc1ccccc1Cc1nnc(CN2CCC[C@H]2C(C)C)o1 ZINC000351472784 1127189072 /nfs/dbraw/zinc/18/90/72/1127189072.db2.gz QHGLFNNAIKKHJG-INIZCTEOSA-N 0 1 299.418 3.589 20 0 CHADMN Fc1ccc(-c2nc(CN[C@H]3C=CCC3)cs2)cc1 ZINC000698194267 1127190174 /nfs/dbraw/zinc/19/01/74/1127190174.db2.gz DUPZGOFYYRDMIQ-ZDUSSCGKSA-N 0 1 274.364 3.757 20 0 CHADMN CCN(Cc1cn2cc(C)ccc2n1)Cc1ccccc1 ZINC000588774446 1127194918 /nfs/dbraw/zinc/19/49/18/1127194918.db2.gz MVCXMPZQORBNJX-UHFFFAOYSA-N 0 1 279.387 3.665 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@@H+](CCC)CC1CCCCC1 ZINC000572250194 1127195359 /nfs/dbraw/zinc/19/53/59/1127195359.db2.gz JIZXISANETXLFS-CQSZACIVSA-N 0 1 255.402 3.532 20 0 CHADMN CCCN(Cc1cnc(C)nc1)[C@H](C)c1ccccc1OC ZINC000351609163 1127198043 /nfs/dbraw/zinc/19/80/43/1127198043.db2.gz SRWROIBMJUXTPO-CQSZACIVSA-N 0 1 299.418 3.767 20 0 CHADMN CC[C@@H](C)CCC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000351641331 1127199851 /nfs/dbraw/zinc/19/98/51/1127199851.db2.gz NFPDVKSDEBQDDR-CABCVRRESA-N 0 1 294.439 3.605 20 0 CHADMN CCO[C@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2Cl)C1 ZINC001237704629 1131130971 /nfs/dbraw/zinc/13/09/71/1131130971.db2.gz MXWFLFIHUCFIEI-HNNXBMFYSA-N 0 1 281.827 3.958 20 0 CHADMN CS[C@@H]1CC[C@@H](N(C)Cc2ncc(C(C)C)o2)C1 ZINC001116160800 1131132358 /nfs/dbraw/zinc/13/23/58/1131132358.db2.gz AVQLGIPLWBMZEL-VXGBXAGGSA-N 0 1 268.426 3.514 20 0 CHADMN C[C@@H](NCCn1ccc2cc(Cl)ccc21)c1ccon1 ZINC000351608704 1127198114 /nfs/dbraw/zinc/19/81/14/1127198114.db2.gz IQVZZOBWXJDIPK-LLVKDONJSA-N 0 1 289.766 3.634 20 0 CHADMN CN(CCC1CCCCC1)Cc1cn2ccsc2n1 ZINC000588901032 1127204355 /nfs/dbraw/zinc/20/43/55/1127204355.db2.gz JRGRYHZUEBRYSL-UHFFFAOYSA-N 0 1 277.437 3.798 20 0 CHADMN CC[C@@H](C)CN(CC)Cc1ncc(CSC)s1 ZINC000351720010 1127205919 /nfs/dbraw/zinc/20/59/19/1127205919.db2.gz NTVSBOJFPKDMRO-LLVKDONJSA-N 0 1 272.483 3.874 20 0 CHADMN COc1ccc(C)cc1CN(C)CCOc1ccccc1C ZINC000588915420 1127206593 /nfs/dbraw/zinc/20/65/93/1127206593.db2.gz JONVDRZIOCTAFV-UHFFFAOYSA-N 0 1 299.414 3.823 20 0 CHADMN Cc1noc([C@@H](C)NCC2(c3cccc(C)c3)CCCC2)n1 ZINC000588908809 1127208521 /nfs/dbraw/zinc/20/85/21/1127208521.db2.gz AQKJBCKVMHZEDM-CQSZACIVSA-N 0 1 299.418 3.849 20 0 CHADMN Cc1cc([C@@H](C)NCCc2csc(C(C)(C)C)n2)no1 ZINC000284902686 1127211007 /nfs/dbraw/zinc/21/10/07/1127211007.db2.gz CHUHYQQJTGTUSQ-LLVKDONJSA-N 0 1 293.436 3.630 20 0 CHADMN CCCN(C)Cc1nc(-c2ccc(C)cc2)cs1 ZINC000351858777 1127211739 /nfs/dbraw/zinc/21/17/39/1127211739.db2.gz VZBJXXWVNOZYMQ-UHFFFAOYSA-N 0 1 260.406 3.960 20 0 CHADMN CSC1(CN2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000589160072 1127215676 /nfs/dbraw/zinc/21/56/76/1127215676.db2.gz NQMDUCNGRJVHQF-UHFFFAOYSA-N 0 1 286.444 3.730 20 0 CHADMN CC(C)(CC[N@H+]1CCCC[C@@H]1CC1CCC1)CC(=O)[O-] ZINC000659803404 1127220185 /nfs/dbraw/zinc/22/01/85/1127220185.db2.gz GYZQEHZKZWZDIZ-OAHLLOKOSA-N 0 1 281.440 3.922 20 0 CHADMN FCCCCN[C@@H](c1nccs1)c1ccccc1 ZINC000285156290 1127218750 /nfs/dbraw/zinc/21/87/50/1127218750.db2.gz MBEWGMNYUNYNHV-CYBMUJFWSA-N 0 1 264.369 3.572 20 0 CHADMN Cc1csc([C@H]2CCCCN2CC[C@H](C)F)n1 ZINC000352131720 1127219222 /nfs/dbraw/zinc/21/92/22/1127219222.db2.gz VGIUHRIQBVBGQG-CMPLNLGQSA-N 0 1 256.390 3.727 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000572601299 1127221224 /nfs/dbraw/zinc/22/12/24/1127221224.db2.gz DIJHEKBUMZVYAP-CKYFFXLPSA-N 0 1 299.773 3.583 20 0 CHADMN CCC[C@@H](NCc1c(C)cnn1C)c1ccc(F)cc1F ZINC000285352407 1127223464 /nfs/dbraw/zinc/22/34/64/1127223464.db2.gz AAJJSJYAKDUJIS-OAHLLOKOSA-N 0 1 293.361 3.638 20 0 CHADMN Cc1cc([C@H](C)NCCc2cc3ccccc3o2)no1 ZINC000285330178 1127223574 /nfs/dbraw/zinc/22/35/74/1127223574.db2.gz UGQZEINOSYLRAI-LBPRGKRZSA-N 0 1 270.332 3.623 20 0 CHADMN CSCc1ccc(CNCc2cc(O)cc(F)c2)cc1 ZINC000285372718 1127224193 /nfs/dbraw/zinc/22/41/93/1127224193.db2.gz CBMIWDOIQMERKL-UHFFFAOYSA-N 0 1 291.391 3.684 20 0 CHADMN Cc1cc2cc(CNCc3occc3C)ccc2[nH]1 ZINC000285407718 1127226256 /nfs/dbraw/zinc/22/62/56/1127226256.db2.gz FMVKTJFAOZFGCJ-UHFFFAOYSA-N 0 1 254.333 3.668 20 0 CHADMN CCC[C@H](C)N(C)Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000466807359 1127227370 /nfs/dbraw/zinc/22/73/70/1127227370.db2.gz YDXSOTCOFTWENN-LBPRGKRZSA-N 0 1 292.814 3.541 20 0 CHADMN CCOc1cccc2cc([C@@H](C)NCc3cc(C)[nH]n3)oc21 ZINC000589638212 1127230968 /nfs/dbraw/zinc/23/09/68/1127230968.db2.gz PNLRQJLQWFYEPC-GFCCVEGCSA-N 0 1 299.374 3.714 20 0 CHADMN CCOc1cccc2cc([C@@H](C)NCc3cc(C)n[nH]3)oc21 ZINC000589638212 1127230971 /nfs/dbraw/zinc/23/09/71/1127230971.db2.gz PNLRQJLQWFYEPC-GFCCVEGCSA-N 0 1 299.374 3.714 20 0 CHADMN CN(CCCCF)Cc1ccc(F)cc1Br ZINC000352421484 1127231526 /nfs/dbraw/zinc/23/15/26/1127231526.db2.gz LRVQBKGAPFYMNO-UHFFFAOYSA-N 0 1 292.167 3.770 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc(Cl)ccc2Cl)n[nH]1 ZINC000589646920 1127233298 /nfs/dbraw/zinc/23/32/98/1127233298.db2.gz GZGIKSUGDPYFKY-SECBINFHSA-N 0 1 284.190 3.876 20 0 CHADMN C[C@H](NCc1ccc(Cl)nc1)c1ccnc(Cl)c1 ZINC000165499808 1127234381 /nfs/dbraw/zinc/23/43/81/1127234381.db2.gz ANOZWXZDRUVSSW-VIFPVBQESA-N 0 1 282.174 3.634 20 0 CHADMN Cc1occc1-c1noc([C@@H]2CC[C@H]3CCCC[C@@H]3N2)n1 ZINC000165566905 1127236577 /nfs/dbraw/zinc/23/65/77/1127236577.db2.gz HYUDBNKLWFXHOV-XBFCOCLRSA-N 0 1 287.363 3.621 20 0 CHADMN Cc1noc([C@@H]2CCCN2Cc2cccc3ccccc32)n1 ZINC000285567450 1127237106 /nfs/dbraw/zinc/23/71/06/1127237106.db2.gz HRLPFUFLUYILEY-KRWDZBQOSA-N 0 1 293.370 3.868 20 0 CHADMN C/C(=C\c1ccccc1)CNCc1cn2ccccc2n1 ZINC000589843277 1127237521 /nfs/dbraw/zinc/23/75/21/1127237521.db2.gz GTCYSNCEKQOWLM-RVDMUPIBSA-N 0 1 277.371 3.527 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1ccc(C)c(F)c1 ZINC000285586503 1127237837 /nfs/dbraw/zinc/23/78/37/1127237837.db2.gz VPMKFACUZBBYEJ-UHFFFAOYSA-N 0 1 276.355 3.764 20 0 CHADMN CSCc1ccc(CN[C@@H](C)c2ccco2)cc1 ZINC000285577745 1127238436 /nfs/dbraw/zinc/23/84/36/1127238436.db2.gz GZWSFEBVPNNVBY-LBPRGKRZSA-N 0 1 261.390 3.993 20 0 CHADMN Cc1cc2cc(CN[C@H](C)c3cncs3)ccc2[nH]1 ZINC000285609530 1127239127 /nfs/dbraw/zinc/23/91/27/1127239127.db2.gz JBZUJLRRFCTINV-LLVKDONJSA-N 0 1 271.389 3.784 20 0 CHADMN CSCc1ccc(CNCc2cnc(C)s2)cc1 ZINC000285638656 1127239677 /nfs/dbraw/zinc/23/96/77/1127239677.db2.gz ZDLKOPWIMYUPJY-UHFFFAOYSA-N 0 1 278.446 3.604 20 0 CHADMN C[C@@H](Cc1ccccc1F)N[C@@H](C)c1c(F)cncc1F ZINC000285696269 1127240687 /nfs/dbraw/zinc/24/06/87/1127240687.db2.gz OMTCOXWHWBYCJJ-QWRGUYRKSA-N 0 1 294.320 3.781 20 0 CHADMN C[C@H](N[C@H]1CCC12CCCC2)c1c(F)cncc1F ZINC000285722398 1127241842 /nfs/dbraw/zinc/24/18/42/1127241842.db2.gz QGNBYCZCTZODJY-GWCFXTLKSA-N 0 1 266.335 3.733 20 0 CHADMN C[C@@H](CCc1ccco1)N[C@@H](C)c1c(F)cncc1F ZINC000285712137 1127241890 /nfs/dbraw/zinc/24/18/90/1127241890.db2.gz POYOPCFAPMUAJV-QWRGUYRKSA-N 0 1 280.318 3.625 20 0 CHADMN Fc1cccc(-c2nc(CN3CCCC3)cs2)c1 ZINC001237977131 1131156115 /nfs/dbraw/zinc/15/61/15/1131156115.db2.gz WZNDGTBRIRUWBP-UHFFFAOYSA-N 0 1 262.353 3.545 20 0 CHADMN CC(C)CCc1nc(CN[C@@H]2CSC[C@@H]2C)cs1 ZINC000352800217 1127245515 /nfs/dbraw/zinc/24/55/15/1127245515.db2.gz HBRZFINCJAAOFU-WCQYABFASA-N 0 1 284.494 3.573 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249760853 1127249010 /nfs/dbraw/zinc/24/90/10/1127249010.db2.gz LCWBMWYYVFHORV-WCQYABFASA-N 0 1 291.345 3.629 20 0 CHADMN CSc1cccc(F)c1CNC/C=C/c1ccncc1 ZINC000352951491 1127253710 /nfs/dbraw/zinc/25/37/10/1127253710.db2.gz OLKDYNQFCIUHSM-ONEGZZNKSA-N 0 1 288.391 3.746 20 0 CHADMN c1ccc(-c2n[nH]c(S[C@H]3C=CCCC3)n2)cc1 ZINC000590385333 1127256362 /nfs/dbraw/zinc/25/63/62/1127256362.db2.gz HFXDKWKPCYTORE-LBPRGKRZSA-N 0 1 257.362 3.673 20 0 CHADMN Cc1ccc(Cl)c(CN(C)CC2CCOCC2)c1F ZINC001138030630 1131168671 /nfs/dbraw/zinc/16/86/71/1131168671.db2.gz MLRNDWBWMIRIBY-UHFFFAOYSA-N 0 1 285.790 3.646 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@H]2CCCOc3ccccc32)c1 ZINC000286356218 1127266229 /nfs/dbraw/zinc/26/62/29/1127266229.db2.gz ZAHMAHSDGAEIRP-ZBFHGGJFSA-N 0 1 282.387 3.955 20 0 CHADMN C[C@H]1CCCCCN1Cc1csc(-c2ccccn2)n1 ZINC000353513111 1127269437 /nfs/dbraw/zinc/26/94/37/1127269437.db2.gz VZECWFOPRKKGQA-ZDUSSCGKSA-N 0 1 287.432 3.970 20 0 CHADMN COc1cc(CN[C@H](C)c2ccsc2)ccc1F ZINC001116942172 1131170521 /nfs/dbraw/zinc/17/05/21/1131170521.db2.gz JMSPUSOZVDQAJP-SNVBAGLBSA-N 0 1 265.353 3.747 20 0 CHADMN CC(C)c1nc([C@@H](C)NCc2ccc3occc3c2)n[nH]1 ZINC000286442444 1127268054 /nfs/dbraw/zinc/26/80/54/1127268054.db2.gz JKHXWJVOSFGPCT-LLVKDONJSA-N 0 1 284.363 3.525 20 0 CHADMN Brc1ccc(CN2CCC[C@@H]2C2CC2)s1 ZINC000590788266 1127272877 /nfs/dbraw/zinc/27/28/77/1127272877.db2.gz YARJBLOUOIIWMA-LLVKDONJSA-N 0 1 286.238 3.885 20 0 CHADMN CCn1c2cccc(F)c2nc1CN(C)CCC(C)C ZINC000590783919 1127273376 /nfs/dbraw/zinc/27/33/76/1127273376.db2.gz RLYZUBVIXYHHJK-UHFFFAOYSA-N 0 1 277.387 3.673 20 0 CHADMN COc1ccc(CCCCCOC2CN(C(C)C)C2)cc1 ZINC001224978233 1127273591 /nfs/dbraw/zinc/27/35/91/1127273591.db2.gz RVLZOWROEYZOBJ-UHFFFAOYSA-N 0 1 291.435 3.517 20 0 CHADMN OC[C@@]1(F)CCCN(C2c3ccccc3-c3ccccc32)C1 ZINC000286819937 1127274576 /nfs/dbraw/zinc/27/45/76/1127274576.db2.gz KGYHEJKMWFPFIV-LJQANCHMSA-N 0 1 297.373 3.553 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cc(Cl)c([O-])cc2F)C2(CC2)C1 ZINC001238154760 1131176023 /nfs/dbraw/zinc/17/60/23/1131176023.db2.gz LOHNVOOYMCTJDD-SECBINFHSA-N 0 1 269.747 3.559 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN1CCS[C@@H](C)[C@@H]1C ZINC000353923852 1127278508 /nfs/dbraw/zinc/27/85/08/1127278508.db2.gz PDJDEMKIBSPETB-JSGCOSHPSA-N 0 1 295.496 3.581 20 0 CHADMN CC(C)=CCN1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000590946807 1127279276 /nfs/dbraw/zinc/27/92/76/1127279276.db2.gz XQZUCULPSZBVFW-CQSZACIVSA-N 0 1 294.389 3.610 20 0 CHADMN CC[C@H](N[C@H](c1nccn1C)C1CC1)c1cccc(OC)c1 ZINC000353931029 1127279820 /nfs/dbraw/zinc/27/98/20/1127279820.db2.gz SWJAIMPSZIOZPT-IRXDYDNUSA-N 0 1 299.418 3.621 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN(C)[C@H](CCO)c2ccccc2)o1 ZINC000353925773 1127279829 /nfs/dbraw/zinc/27/98/29/1127279829.db2.gz WWZVNCPAHOPYGZ-ZTFGCOKTSA-N 0 1 299.414 3.959 20 0 CHADMN CCCOc1ccc(CNCc2ccnn2C(C)C)cc1 ZINC000353944878 1127280771 /nfs/dbraw/zinc/28/07/71/1127280771.db2.gz MIWUQNLOZNEQGF-UHFFFAOYSA-N 0 1 287.407 3.543 20 0 CHADMN COCc1nc(CN(CC(C)C)CC(C)(C)C)cs1 ZINC000354018725 1127285596 /nfs/dbraw/zinc/28/55/96/1127285596.db2.gz RTYDPCZEOMRMFZ-UHFFFAOYSA-N 0 1 284.469 3.794 20 0 CHADMN CCC(=O)CC[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000287023734 1127282290 /nfs/dbraw/zinc/28/22/90/1127282290.db2.gz RRHUHCRFEXAINJ-CYBMUJFWSA-N 0 1 251.395 3.500 20 0 CHADMN CCC(=O)CCN1CC(C)(C)[C@H]1c1cccs1 ZINC000287023734 1127282292 /nfs/dbraw/zinc/28/22/92/1127282292.db2.gz RRHUHCRFEXAINJ-CYBMUJFWSA-N 0 1 251.395 3.500 20 0 CHADMN CCN1CCCC[C@@H]1C(=O)Nc1cccc(C(C)C)c1 ZINC000591093412 1127285419 /nfs/dbraw/zinc/28/54/19/1127285419.db2.gz YMXPAXGZENOMQI-MRXNPFEDSA-N 0 1 274.408 3.623 20 0 CHADMN C[C@@H](C(=O)c1c[nH]c2ncccc12)N1CC[C@H](C)C(C)(C)C1 ZINC000354001071 1127284833 /nfs/dbraw/zinc/28/48/33/1127284833.db2.gz GMGQWSJXHZDRBU-STQMWFEESA-N 0 1 299.418 3.502 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccc(Cl)cc1)c1cncs1 ZINC000287072067 1127285569 /nfs/dbraw/zinc/28/55/69/1127285569.db2.gz OEMJLVLUHVCXQN-MFKMUULPSA-N 0 1 296.823 3.571 20 0 CHADMN COCc1ccc(CN2CC[C@H](C)C[C@@H]2c2ccco2)o1 ZINC000354039018 1127287408 /nfs/dbraw/zinc/28/74/08/1127287408.db2.gz LPPCLIWOMURQFU-XJKSGUPXSA-N 0 1 289.375 3.992 20 0 CHADMN Cc1occc1-c1noc(-c2cc(-c3ccccc3)n[nH]2)n1 ZINC000354069445 1127289885 /nfs/dbraw/zinc/28/98/85/1127289885.db2.gz DZNKCJNIDFFUHB-UHFFFAOYSA-N 0 1 292.298 3.695 20 0 CHADMN CC[C@]1(C)CCN(Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354077849 1127290378 /nfs/dbraw/zinc/29/03/78/1127290378.db2.gz JKAFZRHRMGPRRK-UKRRQHHQSA-N 0 1 280.437 3.617 20 0 CHADMN CSC[C@@H]1CCCN1Cc1ccc(F)c(Cl)c1 ZINC000354087703 1127291625 /nfs/dbraw/zinc/29/16/25/1127291625.db2.gz FCEXFRSHPLEBKO-NSHDSACASA-N 0 1 273.804 3.807 20 0 CHADMN CC[C@]1(C)CCN(Cc2csc(-c3ccccn3)n2)C1 ZINC000354099268 1127292613 /nfs/dbraw/zinc/29/26/13/1127292613.db2.gz CZYIXDSTHICVJB-MRXNPFEDSA-N 0 1 287.432 3.827 20 0 CHADMN COc1ccc(-c2nc(CN(C)C(C)(C)C)co2)cc1 ZINC000573087742 1127292931 /nfs/dbraw/zinc/29/29/31/1127292931.db2.gz UEYVNIJDORIAMZ-UHFFFAOYSA-N 0 1 274.364 3.581 20 0 CHADMN CSCc1ccccc1NC(=O)c1cccc2nc[nH]c21 ZINC000354317235 1127302470 /nfs/dbraw/zinc/30/24/70/1127302470.db2.gz NCCBPBYIKFQXAK-UHFFFAOYSA-N 0 1 297.383 3.678 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000629772636 1127306479 /nfs/dbraw/zinc/30/64/79/1127306479.db2.gz UGWQANMJPTWNEG-SOUVJXGZSA-N 0 1 269.429 3.636 20 0 CHADMN CO[C@@H](C)CN(Cc1nc2ccccc2s1)C(C)C ZINC000354446091 1127308925 /nfs/dbraw/zinc/30/89/25/1127308925.db2.gz FFCZUWWYRPNLCI-LBPRGKRZSA-N 0 1 278.421 3.542 20 0 CHADMN Cc1cc([C@H](C)NCCc2c(F)cccc2Cl)no1 ZINC001117671126 1131190952 /nfs/dbraw/zinc/19/09/52/1131190952.db2.gz XZAWGGQKCVEOPG-JTQLQIEISA-N 0 1 282.746 3.669 20 0 CHADMN CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000780961149 1127309990 /nfs/dbraw/zinc/30/99/90/1127309990.db2.gz WELHYQSTRSHCRJ-NWDGAFQWSA-N 0 1 280.387 3.508 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H](OCC)C2)c(Cl)c1 ZINC001238401455 1131195789 /nfs/dbraw/zinc/19/57/89/1131195789.db2.gz XMRLWRDZMKZKIF-OAHLLOKOSA-N 0 1 297.826 3.740 20 0 CHADMN CCOc1ccc(CN2CCC(C)CC2)c(Cl)c1 ZINC001238396903 1131195911 /nfs/dbraw/zinc/19/59/11/1131195911.db2.gz JYVORRMYOIAEAD-UHFFFAOYSA-N 0 1 267.800 3.971 20 0 CHADMN CC(C)(C(=O)Nc1cc(F)cc(Cl)c1O)C1CC1 ZINC000287935138 1127315547 /nfs/dbraw/zinc/31/55/47/1127315547.db2.gz QTCLAFHBLGABBH-UHFFFAOYSA-N 0 1 271.719 3.559 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)C[C@@H]2C)ncc1Cl ZINC001238418059 1131197534 /nfs/dbraw/zinc/19/75/34/1131197534.db2.gz JDIRXJHEOOHYHB-PWSUYJOCSA-N 0 1 252.789 3.664 20 0 CHADMN CCC[C@H](NCc1cnccc1OC)c1ccccc1 ZINC000287899871 1127314325 /nfs/dbraw/zinc/31/43/25/1127314325.db2.gz URMWOSNPYOOPMJ-INIZCTEOSA-N 0 1 270.376 3.721 20 0 CHADMN COc1cnc(CN(C)CC2CCCCC2)c(Cl)c1 ZINC001238488219 1131209777 /nfs/dbraw/zinc/20/97/77/1131209777.db2.gz UWHZZNDMVQONEL-UHFFFAOYSA-N 0 1 282.815 3.756 20 0 CHADMN CC(C)C[N@H+]1Cc2cccc(NC(=O)C[C@@H]3C[C@H]3C)c2C1 ZINC000355143927 1127320702 /nfs/dbraw/zinc/32/07/02/1127320702.db2.gz OQPIERKKUHLENG-HIFRSBDPSA-N 0 1 286.419 3.643 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)C[C@@H]3C[C@H]3C)c2C1 ZINC000355143927 1127320705 /nfs/dbraw/zinc/32/07/05/1127320705.db2.gz OQPIERKKUHLENG-HIFRSBDPSA-N 0 1 286.419 3.643 20 0 CHADMN CC(C)c1nc(CN2CCC[C@H]([C@H]3CCOC3)C2)cs1 ZINC000355206256 1127325174 /nfs/dbraw/zinc/32/51/74/1127325174.db2.gz LZIUZNYAEQCKNI-KBPBESRZSA-N 0 1 294.464 3.515 20 0 CHADMN CSc1ccccc1CN(C)C/C=C/c1ccncc1 ZINC000355228380 1127327340 /nfs/dbraw/zinc/32/73/40/1127327340.db2.gz VCTHEPFEDWWCMQ-AATRIKPKSA-N 0 1 284.428 3.949 20 0 CHADMN CC(C)CC[C@H](O)CN[C@H](c1ccco1)c1ccccc1 ZINC000573795710 1127328304 /nfs/dbraw/zinc/32/83/04/1127328304.db2.gz MOXWYDWHQPFZKY-WMZOPIPTSA-N 0 1 287.403 3.756 20 0 CHADMN Cc1cc(OC(C)C)cc(C)c1CN1CC[C@H](F)C1 ZINC001238671012 1131227475 /nfs/dbraw/zinc/22/74/75/1131227475.db2.gz ZWEFRPDKUUZYLD-AWEZNQCLSA-N 0 1 265.372 3.634 20 0 CHADMN CC(C)CC1CCN(Cc2cccc(Cl)n2)CC1 ZINC000760921158 1127331655 /nfs/dbraw/zinc/33/16/55/1127331655.db2.gz PSSGGFIGIYFZJI-UHFFFAOYSA-N 0 1 266.816 3.993 20 0 CHADMN CC(C)Oc1ccccc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000592032102 1127332739 /nfs/dbraw/zinc/33/27/39/1127332739.db2.gz BOWDCPZYOQVNNB-UHFFFAOYSA-N 0 1 295.342 3.602 20 0 CHADMN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN[C@@H](C)CF ZINC000288417352 1127337833 /nfs/dbraw/zinc/33/78/33/1127337833.db2.gz JLTMWZZBNZGMQG-JTQLQIEISA-N 0 1 295.789 3.590 20 0 CHADMN CCCc1csc(CNCC2(OC)CCC(C)CC2)n1 ZINC000355421075 1127340426 /nfs/dbraw/zinc/34/04/26/1127340426.db2.gz PGSYBYBFXHGESB-UHFFFAOYSA-N 0 1 296.480 3.781 20 0 CHADMN CCN(CCSC)[C@@H](C)c1nc2ccccc2o1 ZINC000592201485 1127341092 /nfs/dbraw/zinc/34/10/92/1127341092.db2.gz HDTSHEIKMBQAIA-NSHDSACASA-N 0 1 264.394 3.574 20 0 CHADMN C[C@H]1CC[N@@H+](CCCCCC(=O)[O-])CC12CCCCC2 ZINC000573974912 1127347294 /nfs/dbraw/zinc/34/72/94/1127347294.db2.gz FLHBXJXGGQIMNX-HNNXBMFYSA-N 0 1 281.440 3.924 20 0 CHADMN Cc1[nH]ncc1C(=O)N(CC(C)C)c1ccc(Cl)cc1 ZINC000355465670 1127343362 /nfs/dbraw/zinc/34/33/62/1127343362.db2.gz BYXTVWFIFWKXTC-UHFFFAOYSA-N 0 1 291.782 3.674 20 0 CHADMN CC(C)N(Cc1ccccc1)Cc1ccc(Cl)nn1 ZINC000167226693 1127343445 /nfs/dbraw/zinc/34/34/45/1127343445.db2.gz PGVHJGBZKBSUPK-UHFFFAOYSA-N 0 1 275.783 3.541 20 0 CHADMN Cc1ccc(CN(CCO)Cc2ccc(C(C)C)cc2)o1 ZINC000355653748 1127356013 /nfs/dbraw/zinc/35/60/13/1127356013.db2.gz RBWLBDAMSBTNOB-UHFFFAOYSA-N 0 1 287.403 3.706 20 0 CHADMN Cc1ccc(CN(CCO)Cc2cc(C)c(C)cc2C)o1 ZINC000355659656 1127356802 /nfs/dbraw/zinc/35/68/02/1127356802.db2.gz QKCUHGSJKGHWQI-UHFFFAOYSA-N 0 1 287.403 3.508 20 0 CHADMN Cc1nccc(N2CCCC3(CCC3)C2)c1Cl ZINC000355665210 1127357151 /nfs/dbraw/zinc/35/71/51/1127357151.db2.gz BGCPKYHDOBUPFN-UHFFFAOYSA-N 0 1 250.773 3.814 20 0 CHADMN Cc1nc(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)oc1C ZINC000069172825 1127361887 /nfs/dbraw/zinc/36/18/87/1127361887.db2.gz OILILSKPVBNKAX-GLQYFDAESA-N 0 1 262.397 3.692 20 0 CHADMN Cc1cccn2cc(CN3CCCc4ccccc4C3)nc12 ZINC000592818676 1127362337 /nfs/dbraw/zinc/36/23/37/1127362337.db2.gz OSWQUPOBOMKCTJ-UHFFFAOYSA-N 0 1 291.398 3.591 20 0 CHADMN Cc1[nH]c(SCOC2CCC2)nc1Cc1ccccc1 ZINC000288944855 1127368385 /nfs/dbraw/zinc/36/83/85/1127368385.db2.gz RVFSAMVOJQTNKE-UHFFFAOYSA-N 0 1 288.416 3.928 20 0 CHADMN CCCN(Cc1cn(C(C)C)nn1)[C@H]1CCc2ccccc21 ZINC000288968402 1127369116 /nfs/dbraw/zinc/36/91/16/1127369116.db2.gz BMQKFZIPCWSWQW-SFHVURJKSA-N 0 1 298.434 3.759 20 0 CHADMN CN(Cc1csc(-c2ccco2)n1)C(C)(C)C ZINC000574154874 1127372050 /nfs/dbraw/zinc/37/20/50/1127372050.db2.gz WJZZLFHCVACQHZ-UHFFFAOYSA-N 0 1 250.367 3.633 20 0 CHADMN CCc1ccc(CN2CCC[C@H]2c2ccncc2)o1 ZINC000289149015 1127374774 /nfs/dbraw/zinc/37/47/74/1127374774.db2.gz AYDOQNCJTYUSTB-INIZCTEOSA-N 0 1 256.349 3.574 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccco2)cc(C)c1O ZINC000289174901 1127375834 /nfs/dbraw/zinc/37/58/34/1127375834.db2.gz SGSJPQMHTDQXIV-CYBMUJFWSA-N 0 1 259.349 3.795 20 0 CHADMN c1cc([C@H]2CCCCN2Cc2cccc3[nH]ccc32)n[nH]1 ZINC000289333770 1127382166 /nfs/dbraw/zinc/38/21/66/1127382166.db2.gz GZJVKEMTJLRXQC-QGZVFWFLSA-N 0 1 280.375 3.618 20 0 CHADMN C[C@]1(c2ccccc2)CCCN(Cc2cocn2)CC1 ZINC000289324264 1127381088 /nfs/dbraw/zinc/38/10/88/1127381088.db2.gz GCLPNXQZIIVNQW-KRWDZBQOSA-N 0 1 270.376 3.618 20 0 CHADMN C[C@@H](NCc1cnc([C@H](C)O)s1)c1ccc(Cl)cc1 ZINC000289315156 1127381139 /nfs/dbraw/zinc/38/11/39/1127381139.db2.gz SNYOETJJNDOZFN-ZJUUUORDSA-N 0 1 296.823 3.701 20 0 CHADMN COc1ccc2c(c1F)CC[C@H]2NCc1ccccc1F ZINC000289339003 1127381944 /nfs/dbraw/zinc/38/19/44/1127381944.db2.gz WRGIJFHPZHCNTL-OAHLLOKOSA-N 0 1 289.325 3.751 20 0 CHADMN C[C@@H](CN(C)Cc1nc(-c2ccoc2)no1)c1ccccc1 ZINC000357252659 1127388002 /nfs/dbraw/zinc/38/80/02/1127388002.db2.gz AVWBYTBHOCWICR-ZDUSSCGKSA-N 0 1 297.358 3.565 20 0 CHADMN CC/C=C/CCN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000466826665 1127385450 /nfs/dbraw/zinc/38/54/50/1127385450.db2.gz RYETZMBANZJECT-GWOVIKRFSA-N 0 1 259.393 3.805 20 0 CHADMN CC[C@@]1(C)CCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000357297180 1127388901 /nfs/dbraw/zinc/38/89/01/1127388901.db2.gz CKFWYKRKRRIUHY-INIZCTEOSA-N 0 1 261.413 3.620 20 0 CHADMN Cc1cnc(CN2CCCC3(CCCCC3)C2)s1 ZINC000357312788 1127389425 /nfs/dbraw/zinc/38/94/25/1127389425.db2.gz ZCELVVWDEDOQJM-UHFFFAOYSA-N 0 1 264.438 3.998 20 0 CHADMN CSc1cc(CNCc2ccc(C)c(F)c2)ccn1 ZINC000357341065 1127390193 /nfs/dbraw/zinc/39/01/93/1127390193.db2.gz BYZWLAYNAWKKGC-UHFFFAOYSA-N 0 1 276.380 3.541 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](CO)c2cccc(F)c2)c(C)s1 ZINC000358154948 1127404921 /nfs/dbraw/zinc/40/49/21/1127404921.db2.gz IOLVMIBQUSMHLC-BZNIZROVSA-N 0 1 293.407 3.888 20 0 CHADMN Cc1cccc2nc(CN[C@@H]3CCCc4sccc43)cn21 ZINC000358151639 1127404984 /nfs/dbraw/zinc/40/49/84/1127404984.db2.gz FIDLEHBUJZFMEM-OAHLLOKOSA-N 0 1 297.427 3.871 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N1CCC[C@@]2(CC=CCC2)C1 ZINC000358238888 1127410333 /nfs/dbraw/zinc/41/03/33/1127410333.db2.gz IJZHSILHHSOQQW-SFHVURJKSA-N 0 1 295.386 3.525 20 0 CHADMN CC(C)[C@@H](NC(=O)C(F)(F)C(F)F)c1ccc(F)cc1 ZINC000226600902 1127411934 /nfs/dbraw/zinc/41/19/34/1127411934.db2.gz RUDBTQZNKYSWAU-SNVBAGLBSA-N 0 1 295.251 3.539 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2c[nH]nc21)c1cccc(OC)c1 ZINC000358290175 1127413474 /nfs/dbraw/zinc/41/34/74/1127413474.db2.gz DKVQJURMDMQSRP-JKSUJKDBSA-N 0 1 285.391 3.537 20 0 CHADMN COC(=O)c1cc(CN[C@@H]2CCCc3ccccc32)c(C)o1 ZINC000594601005 1127422843 /nfs/dbraw/zinc/42/28/43/1127422843.db2.gz PUYMWXCQQTUSCU-MRXNPFEDSA-N 0 1 299.370 3.542 20 0 CHADMN CC(C)C[C@H](C)CSCc1n[nH]c(C2CC2)n1 ZINC000358481430 1127423234 /nfs/dbraw/zinc/42/32/34/1127423234.db2.gz IXDBCCRWVUACHU-JTQLQIEISA-N 0 1 253.415 3.598 20 0 CHADMN COc1ccc([C@H](C)N[C@@H]2CCc3cccnc32)cc1F ZINC000226810132 1127426129 /nfs/dbraw/zinc/42/61/29/1127426129.db2.gz MKLGTQKIXRTIRU-XHDPSFHLSA-N 0 1 286.350 3.567 20 0 CHADMN CC(C)c1ccc(CN[C@@H]2CCc3cccnc32)cc1 ZINC000226818074 1127427309 /nfs/dbraw/zinc/42/73/09/1127427309.db2.gz OLNHCOVDAVSKNR-QGZVFWFLSA-N 0 1 266.388 3.982 20 0 CHADMN CCc1nc([C@@H](C)SCc2cccc(C)c2)n[nH]1 ZINC000594903478 1127433547 /nfs/dbraw/zinc/43/35/47/1127433547.db2.gz WXCSCCDGRJHBTG-LLVKDONJSA-N 0 1 261.394 3.670 20 0 CHADMN Cc1cc(Nc2ccncc2Oc2ccccc2)cnc1F ZINC001212175928 1127430483 /nfs/dbraw/zinc/43/04/83/1127430483.db2.gz LIBPFDFYHRUEBV-UHFFFAOYSA-N 0 1 295.317 3.882 20 0 CHADMN CCc1nc([C@@H](C)SCc2ccccc2C)n[nH]1 ZINC000594883325 1127431976 /nfs/dbraw/zinc/43/19/76/1127431976.db2.gz RRVIYRMXXSFKPP-LLVKDONJSA-N 0 1 261.394 3.670 20 0 CHADMN Cc1nc2ccc(CSc3ccccc3O)cc2[nH]1 ZINC000358857672 1127436430 /nfs/dbraw/zinc/43/64/30/1127436430.db2.gz DVJDMLANZXHAHV-UHFFFAOYSA-N 0 1 270.357 3.869 20 0 CHADMN CCc1nc([C@@H](C)S[C@@H](C)c2ccccc2OC)n[nH]1 ZINC000594890004 1127437012 /nfs/dbraw/zinc/43/70/12/1127437012.db2.gz NMENRVSTFNYKKS-WDEREUQCSA-N 0 1 291.420 3.931 20 0 CHADMN CSCC1(CC[NH2+]Cc2cccc([O-])c2Cl)CC1 ZINC000594975793 1127438293 /nfs/dbraw/zinc/43/82/93/1127438293.db2.gz UOXYXURPHOVYON-UHFFFAOYSA-N 0 1 285.840 3.669 20 0 CHADMN c1cc(CN[C@H]2CCCc3nn(-c4ccccc4)cc32)co1 ZINC000358931929 1127439468 /nfs/dbraw/zinc/43/94/68/1127439468.db2.gz JOAXAOQSHAIAJE-KRWDZBQOSA-N 0 1 293.370 3.633 20 0 CHADMN c1sc(C2CC2)nc1CNC1(Cc2ccccc2)CC1 ZINC000358966160 1127441650 /nfs/dbraw/zinc/44/16/50/1127441650.db2.gz NQWFZJXMHIEISN-UHFFFAOYSA-N 0 1 284.428 3.885 20 0 CHADMN CC1(C)C(CN[C@H](c2ncc[nH]2)c2ccccc2)C1(C)C ZINC000359060113 1127446964 /nfs/dbraw/zinc/44/69/64/1127446964.db2.gz BTIYPYQUHCZFTB-HNNXBMFYSA-N 0 1 283.419 3.771 20 0 CHADMN C[C@@H]1CC[C@@H](CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000359068730 1127447763 /nfs/dbraw/zinc/44/77/63/1127447763.db2.gz MJUBCAKMJZLOCB-XJKCOSOUSA-N 0 1 287.382 3.664 20 0 CHADMN Cc1ncc(CNCc2cc3c(cc(C)cc3C)[nH]2)s1 ZINC000359079292 1127448325 /nfs/dbraw/zinc/44/83/25/1127448325.db2.gz MMDZBVOXGBNLIK-UHFFFAOYSA-N 0 1 285.416 3.839 20 0 CHADMN CC(C)c1cnc(CNC[C@@H](C)C(F)(F)F)s1 ZINC000359121611 1127450564 /nfs/dbraw/zinc/45/05/64/1127450564.db2.gz FMPLIFRXLPZVSV-MRVPVSSYSA-N 0 1 266.332 3.555 20 0 CHADMN COc1ccnc(CN(C)Cc2csc3ccccc23)c1 ZINC000359142501 1127451073 /nfs/dbraw/zinc/45/10/73/1127451073.db2.gz KRWDYWPQFUTRCK-UHFFFAOYSA-N 0 1 298.411 3.937 20 0 CHADMN COC(=O)CC(C)(C)C[C@@H](C)NCC(F)(F)C(C)(C)C ZINC000595105337 1127453150 /nfs/dbraw/zinc/45/31/50/1127453150.db2.gz DFVMQYICUISGCR-LLVKDONJSA-N 0 1 293.398 3.625 20 0 CHADMN CC[C@H](c1ccc(Br)cc1)N1CC[C@H]2C[C@H]21 ZINC000761099324 1127456610 /nfs/dbraw/zinc/45/66/10/1127456610.db2.gz WNMOLIPGJKWNIJ-IACUBPJLSA-N 0 1 280.209 3.994 20 0 CHADMN C[C@@H]1CC[C@]2(CC[N@@H+](Cc3ccc(Cl)o3)C2)C1 ZINC000359299504 1127457601 /nfs/dbraw/zinc/45/76/01/1127457601.db2.gz LTUAAOZVGZVNHL-RISCZKNCSA-N 0 1 253.773 3.945 20 0 CHADMN CCCCn1cc(CN[C@@H](C)c2ccsc2)c(C)n1 ZINC000359321523 1127458792 /nfs/dbraw/zinc/45/87/92/1127458792.db2.gz GINWNUUZFHHXDF-LBPRGKRZSA-N 0 1 277.437 3.904 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000359334608 1127459562 /nfs/dbraw/zinc/45/95/62/1127459562.db2.gz CVSFPIFSMWOZNC-UONOGXRCSA-N 0 1 286.423 3.833 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1cc(C2CC2)no1 ZINC000595376863 1127461953 /nfs/dbraw/zinc/46/19/53/1127461953.db2.gz KJKIALQIXJMSRR-LLVKDONJSA-N 0 1 268.426 3.516 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1ccn(-c2cccc(F)c2)n1 ZINC000595571810 1127466464 /nfs/dbraw/zinc/46/64/64/1127466464.db2.gz JMMIMEAZYGTHSP-ZIAGYGMSSA-N 0 1 287.382 3.774 20 0 CHADMN C[C@@H]1CC[C@@]2(CCN(Cc3cc(-c4ccco4)on3)C2)C1 ZINC000359555891 1127468182 /nfs/dbraw/zinc/46/81/82/1127468182.db2.gz LBSGAEGTCMLYDM-CXAGYDPISA-N 0 1 286.375 3.947 20 0 CHADMN CCSCCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595676598 1127471952 /nfs/dbraw/zinc/47/19/52/1127471952.db2.gz QFMVUDJZSGLAQN-CQSZACIVSA-N 0 1 265.422 3.950 20 0 CHADMN Brc1ccoc1CNCCCc1ccccc1 ZINC000227363144 1127473234 /nfs/dbraw/zinc/47/32/34/1127473234.db2.gz ATZCAVVQXRLESI-UHFFFAOYSA-N 0 1 294.192 3.765 20 0 CHADMN CSCCN1CCc2nc(-c3ccccc3)sc2C1 ZINC000595715320 1127473821 /nfs/dbraw/zinc/47/38/21/1127473821.db2.gz XWURWPWCCGLGLO-UHFFFAOYSA-N 0 1 290.457 3.531 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(C)nc2C)c1 ZINC000359846932 1127480425 /nfs/dbraw/zinc/48/04/25/1127480425.db2.gz GBBKDGMTYHRMED-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN O=S(=O)(Nc1ccsc1)c1ccc2ccccc2c1 ZINC000360231341 1127493250 /nfs/dbraw/zinc/49/32/50/1127493250.db2.gz RMSSGPULCHYIIF-UHFFFAOYSA-N 0 1 289.381 3.702 20 0 CHADMN Cc1ccnc(C[N@@H+]2CC[C@@H](C)C3(CCCCC3)C2)n1 ZINC000360611380 1127502815 /nfs/dbraw/zinc/50/28/15/1127502815.db2.gz MUZVUUIPAIHDJJ-CQSZACIVSA-N 0 1 273.424 3.577 20 0 CHADMN Cc1ccnc(CN2CC[C@@H](C)C3(CCCCC3)C2)n1 ZINC000360611380 1127502818 /nfs/dbraw/zinc/50/28/18/1127502818.db2.gz MUZVUUIPAIHDJJ-CQSZACIVSA-N 0 1 273.424 3.577 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1coc2ccccc12 ZINC000360412934 1127498097 /nfs/dbraw/zinc/49/80/97/1127498097.db2.gz JTRDBMLGPHNJLN-UHFFFAOYSA-N 0 1 291.310 3.870 20 0 CHADMN Cc1ccc(C(=O)Nc2cc3cn[nH]c3cc2C)c(F)c1 ZINC000360434255 1127499053 /nfs/dbraw/zinc/49/90/53/1127499053.db2.gz VDSMEEWFBQCOGW-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1ccc(F)cc1C(=O)Nc1cc2cn[nH]c2cc1C ZINC000360445859 1127499885 /nfs/dbraw/zinc/49/98/85/1127499885.db2.gz ROQVBRQEVXSGCU-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc2[nH]cnc21 ZINC000360692382 1127505873 /nfs/dbraw/zinc/50/58/73/1127505873.db2.gz ZMBJCAQUQPOARB-STQMWFEESA-N 0 1 299.418 3.850 20 0 CHADMN Cc1nc(CN2CCC[C@@H](Cc3ccccc3)C2)c(C)o1 ZINC000659903349 1127508912 /nfs/dbraw/zinc/50/89/12/1127508912.db2.gz GPORDRXONORZPV-KRWDZBQOSA-N 0 1 284.403 3.746 20 0 CHADMN COc1ccc(F)c(CN[C@H]2CCc3cc(F)ccc32)c1 ZINC000293588743 1127507795 /nfs/dbraw/zinc/50/77/95/1127507795.db2.gz ODDVLOIGNCQRHY-KRWDZBQOSA-N 0 1 289.325 3.751 20 0 CHADMN Cc1ccc(CN2Cc3ccccc3C3(CC3)C2)c(C)n1 ZINC000360725805 1127508458 /nfs/dbraw/zinc/50/84/58/1127508458.db2.gz NMIWLPNGOWLAME-UHFFFAOYSA-N 0 1 278.399 3.746 20 0 CHADMN CC(C)SCCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596592627 1127510194 /nfs/dbraw/zinc/51/01/94/1127510194.db2.gz ZCXMZMLRWWZUMY-AWEZNQCLSA-N 0 1 264.438 3.606 20 0 CHADMN COC[C@H](NCc1ccsc1C)c1ccccc1 ZINC000293684774 1127512939 /nfs/dbraw/zinc/51/29/39/1127512939.db2.gz VYFBCKJWVCPEMI-HNNXBMFYSA-N 0 1 261.390 3.534 20 0 CHADMN Cc1cc(CN[C@@H](C)Cc2ccccc2C(F)(F)F)no1 ZINC000360839255 1127514456 /nfs/dbraw/zinc/51/44/56/1127514456.db2.gz WXSWREXGCLQXGA-JTQLQIEISA-N 0 1 298.308 3.723 20 0 CHADMN COc1ccc(F)c(CN[C@H](C)c2ccccc2)c1 ZINC000293728320 1127516127 /nfs/dbraw/zinc/51/61/27/1127516127.db2.gz ZBYCMOPDLQMYAS-GFCCVEGCSA-N 0 1 259.324 3.685 20 0 CHADMN Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2O)cs1 ZINC000671797635 1127517773 /nfs/dbraw/zinc/51/77/73/1127517773.db2.gz OKBCVIKYNYFYSZ-UHFFFAOYSA-N 0 1 285.727 3.807 20 0 CHADMN C[N@@H+](Cc1nc2ccccc2o1)C1CC(OC(C)(C)C)C1 ZINC000360898951 1127518836 /nfs/dbraw/zinc/51/88/36/1127518836.db2.gz ZGSQVCGDBKOIQT-UHFFFAOYSA-N 0 1 288.391 3.606 20 0 CHADMN CN(Cc1nc2ccccc2o1)C1CC(OC(C)(C)C)C1 ZINC000360898951 1127518838 /nfs/dbraw/zinc/51/88/38/1127518838.db2.gz ZGSQVCGDBKOIQT-UHFFFAOYSA-N 0 1 288.391 3.606 20 0 CHADMN CCc1noc(C)c1CN1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000360958413 1127523669 /nfs/dbraw/zinc/52/36/69/1127523669.db2.gz TVRHESNILZQZAJ-YVEFUNNKSA-N 0 1 285.391 3.524 20 0 CHADMN CC[C@H](CSC)N(C)Cc1ccc(F)c(F)c1F ZINC000597134046 1127529237 /nfs/dbraw/zinc/52/92/37/1127529237.db2.gz ZWTAGFMKQQYPIX-SNVBAGLBSA-N 0 1 277.355 3.677 20 0 CHADMN CCCc1ccc(NC(=O)[C@@H](N)c2ccc(C)cc2)cc1 ZINC000228077495 1127525509 /nfs/dbraw/zinc/52/55/09/1127525509.db2.gz IJCULWDFRMJOFJ-KRWDZBQOSA-N 0 1 282.387 3.586 20 0 CHADMN CC[C@@H]1c2ccsc2CCN1Cc1ccc(C)nc1 ZINC000360981601 1127525972 /nfs/dbraw/zinc/52/59/72/1127525972.db2.gz AKMHBYATSBTYGT-OAHLLOKOSA-N 0 1 272.417 3.961 20 0 CHADMN CCCc1nc(C)c(CN[C@H]2CCCNc3ccccc32)o1 ZINC000293874494 1127528455 /nfs/dbraw/zinc/52/84/55/1127528455.db2.gz YISJTFJDOJDZGR-INIZCTEOSA-N 0 1 299.418 3.972 20 0 CHADMN c1ccc([C@H]2N(Cc3ccncc3)CC23CCC3)cc1 ZINC000293989614 1127539893 /nfs/dbraw/zinc/53/98/93/1127539893.db2.gz RWXGYHGSMXEDNX-QGZVFWFLSA-N 0 1 264.372 3.809 20 0 CHADMN CC1=C(C)CN(Cc2c(C3CC3)nc3sccn23)CC1 ZINC000361127319 1127540145 /nfs/dbraw/zinc/54/01/45/1127540145.db2.gz PHQFACQXJGILRP-UHFFFAOYSA-N 0 1 287.432 3.815 20 0 CHADMN Cn1cc(CN2CCC(C(C)(C)C)CC2)c(C(F)F)n1 ZINC000361139427 1127541656 /nfs/dbraw/zinc/54/16/56/1127541656.db2.gz DHBGXDVFCHWPCP-UHFFFAOYSA-N 0 1 285.382 3.616 20 0 CHADMN CCN1CCN(Cc2sc3scc(C)c3c2C)CC1 ZINC001231828895 1127537720 /nfs/dbraw/zinc/53/77/20/1127537720.db2.gz OCZDDOJYTMRIKC-UHFFFAOYSA-N 0 1 294.489 3.717 20 0 CHADMN CCc1nn(C)c(Cl)c1CN1CC[C@H](C)C(C)(C)C1 ZINC000761224815 1127549520 /nfs/dbraw/zinc/54/95/20/1127549520.db2.gz ARCCQGPJPRXIDA-NSHDSACASA-N 0 1 283.847 3.504 20 0 CHADMN COc1ccc(F)c(CN[C@@H]2CCc3ccccc32)c1 ZINC000294125200 1127550880 /nfs/dbraw/zinc/55/08/80/1127550880.db2.gz NNXFEDKQARFBEE-QGZVFWFLSA-N 0 1 271.335 3.611 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2cncc(C(F)(F)F)c2)C1 ZINC000361285485 1127552960 /nfs/dbraw/zinc/55/29/60/1127552960.db2.gz DYCSZZAMCGZDOZ-GHMZBOCLSA-N 0 1 272.314 3.578 20 0 CHADMN COc1cc(Cl)ccc1CN1CCC[C@H]1CSC ZINC000361297201 1127554907 /nfs/dbraw/zinc/55/49/07/1127554907.db2.gz ZFJWPYHYVJECAA-ZDUSSCGKSA-N 0 1 285.840 3.676 20 0 CHADMN CC(C)O[C@@H](CN(C)Cc1ccccn1)c1ccccc1 ZINC000294265576 1127561549 /nfs/dbraw/zinc/56/15/49/1127561549.db2.gz RIPUSCCIBJCESC-SFHVURJKSA-N 0 1 284.403 3.680 20 0 CHADMN O=C(Nc1ccc(Cl)cc1)c1cn[nH]c1-c1ccccc1 ZINC000361431467 1127563383 /nfs/dbraw/zinc/56/33/83/1127563383.db2.gz DYWSJTKFGDAVHC-UHFFFAOYSA-N 0 1 297.745 3.982 20 0 CHADMN FC(F)c1ccnc(CN[C@@H]2CCCC23CCCC3)n1 ZINC000294302574 1127563779 /nfs/dbraw/zinc/56/37/79/1127563779.db2.gz NMEILRNPZKDJPR-GFCCVEGCSA-N 0 1 281.350 3.617 20 0 CHADMN CN(Cc1nc(C2CCCC2)no1)[C@H]1CCC(C)(C)C1 ZINC000361470153 1127565714 /nfs/dbraw/zinc/56/57/14/1127565714.db2.gz NTYNLFRKTQAWIY-ZDUSSCGKSA-N 0 1 277.412 3.738 20 0 CHADMN CN(Cc1nc(-c2ccsc2)no1)[C@H]1CCC(C)(C)C1 ZINC000361471337 1127565821 /nfs/dbraw/zinc/56/58/21/1127565821.db2.gz ZDYCTARJDNLNFQ-LBPRGKRZSA-N 0 1 291.420 3.809 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Cl)cnc2F)C[C@H]1C ZINC001231990628 1127566103 /nfs/dbraw/zinc/56/61/03/1127566103.db2.gz FRFCWOGZNOSDCJ-GHMZBOCLSA-N 0 1 270.779 3.742 20 0 CHADMN CCN(Cc1ccn(-c2ccccc2F)n1)CC1CCC1 ZINC000361487726 1127567398 /nfs/dbraw/zinc/56/73/98/1127567398.db2.gz WBFLCPAMFAJPEP-UHFFFAOYSA-N 0 1 287.382 3.633 20 0 CHADMN Cc1c2ccccc2oc1-c1nc([C@H](N)CC(C)C)no1 ZINC000361601525 1127576187 /nfs/dbraw/zinc/57/61/87/1127576187.db2.gz MVVIEPJVSMKPNK-GFCCVEGCSA-N 0 1 285.347 3.837 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1ccsc1Cl ZINC000361562903 1127572740 /nfs/dbraw/zinc/57/27/40/1127572740.db2.gz JNNZCLHABURDCS-SECBINFHSA-N 0 1 263.859 3.975 20 0 CHADMN CSCC[C@H](C)N(C)Cc1ccsc1Cl ZINC000361562906 1127572786 /nfs/dbraw/zinc/57/27/86/1127572786.db2.gz JNNZCLHABURDCS-VIFPVBQESA-N 0 1 263.859 3.975 20 0 CHADMN CCn1c(C)cc(C(=O)CN(CC2CC2)C2CCC2)c1C ZINC000361587093 1127574188 /nfs/dbraw/zinc/57/41/88/1127574188.db2.gz UQFMHONDAZLIGP-UHFFFAOYSA-N 0 1 288.435 3.572 20 0 CHADMN C[C@H]1CCSCCN1Cc1ccc(F)c(Cl)c1 ZINC000361642995 1127578233 /nfs/dbraw/zinc/57/82/33/1127578233.db2.gz KYIUOABZKXRWJL-JTQLQIEISA-N 0 1 273.804 3.807 20 0 CHADMN CN(Cc1ncccn1)C1CCC(C(C)(C)C)CC1 ZINC000361689486 1127581867 /nfs/dbraw/zinc/58/18/67/1127581867.db2.gz MFGHJYBYUPFXBA-UHFFFAOYSA-N 0 1 261.413 3.513 20 0 CHADMN Cc1ccc(CNCc2cccc(-c3cccnc3)c2)nc1 ZINC000361761397 1127587114 /nfs/dbraw/zinc/58/71/14/1127587114.db2.gz YGUDZBDVWFWTLG-UHFFFAOYSA-N 0 1 289.382 3.742 20 0 CHADMN CCn1cc([C@@H](C)NCc2cc(F)ccc2SC)cn1 ZINC000361806184 1127589940 /nfs/dbraw/zinc/58/99/40/1127589940.db2.gz YYEOFYNLLBKVIU-LLVKDONJSA-N 0 1 293.411 3.615 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1cc(F)ncc1F ZINC000294676932 1127590776 /nfs/dbraw/zinc/59/07/76/1127590776.db2.gz DTVCDXOQJMOOKT-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN Cc1ccc2nc(CN[C@H](C)c3ccsc3)[nH]c2c1 ZINC000361816814 1127591099 /nfs/dbraw/zinc/59/10/99/1127591099.db2.gz ZPQBAUXJCYKHNY-LLVKDONJSA-N 0 1 271.389 3.784 20 0 CHADMN CCc1nc(C)c([C@@H](C)N(C)Cc2ccncc2C)s1 ZINC000294685169 1127591450 /nfs/dbraw/zinc/59/14/50/1127591450.db2.gz DJSNNMHVODYRGD-CYBMUJFWSA-N 0 1 289.448 3.910 20 0 CHADMN CC(=O)Nc1cccc(CN2CCc3cc(C)ccc3C2)c1 ZINC000361848459 1127594139 /nfs/dbraw/zinc/59/41/39/1127594139.db2.gz IJRXRWBSLPLLGA-UHFFFAOYSA-N 0 1 294.398 3.512 20 0 CHADMN COc1ccc(F)c(CN2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000294810347 1127600993 /nfs/dbraw/zinc/60/09/93/1127600993.db2.gz WSCRWYIGTKBWBC-JTQLQIEISA-N 0 1 291.288 3.609 20 0 CHADMN COC(=O)c1oc(CNCc2ccccc2C2CC2)cc1C ZINC000602744033 1127609442 /nfs/dbraw/zinc/60/94/42/1127609442.db2.gz NIBZZBOOIVTIJR-UHFFFAOYSA-N 0 1 299.370 3.542 20 0 CHADMN CCOc1ccc(CNCc2csc(C)c2)cc1F ZINC000294986018 1127612575 /nfs/dbraw/zinc/61/25/75/1127612575.db2.gz HGYIHZXIPOZVCE-UHFFFAOYSA-N 0 1 279.380 3.884 20 0 CHADMN C[C@@H](CC(C)(C)O)NCc1csc(-c2cccs2)n1 ZINC000295033277 1127615739 /nfs/dbraw/zinc/61/57/39/1127615739.db2.gz LXUNUYHMFLBAAQ-JTQLQIEISA-N 0 1 296.461 3.511 20 0 CHADMN Cc1cc(F)ccc1CNCc1ccnc(C(F)(F)F)c1 ZINC000295041442 1127615949 /nfs/dbraw/zinc/61/59/49/1127615949.db2.gz MRVJEKNHWLZFRU-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN CC(C)c1nc(CNc2ncc(-c3ccccc3)s2)n[nH]1 ZINC000295053282 1127616555 /nfs/dbraw/zinc/61/65/55/1127616555.db2.gz XXAJLZNZHXDIQD-UHFFFAOYSA-N 0 1 299.403 3.664 20 0 CHADMN C[C@H](C1CCC1)N(C)Cc1nnc(-c2ccccc2)s1 ZINC000362180154 1127617387 /nfs/dbraw/zinc/61/73/87/1127617387.db2.gz MOKPUYPOKDVCJK-GFCCVEGCSA-N 0 1 287.432 3.826 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc3c(c1)CCO3)CO2 ZINC000362293044 1127625392 /nfs/dbraw/zinc/62/53/92/1127625392.db2.gz HIYWXVUKOFYPFF-DYVFJYSZSA-N 0 1 295.382 3.714 20 0 CHADMN Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc(F)c(C)c1 ZINC000362333284 1127628124 /nfs/dbraw/zinc/62/81/24/1127628124.db2.gz BYLNZDHKFMMXOW-KRWDZBQOSA-N 0 1 287.382 3.513 20 0 CHADMN CC[C@@H]1CN(Cc2cc(-c3ccccc3)no2)CCS1 ZINC000362393215 1127632366 /nfs/dbraw/zinc/63/23/66/1127632366.db2.gz BDTKUXIXKDSZEM-OAHLLOKOSA-N 0 1 288.416 3.669 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1C[C@H](C)CC[C@@H]1C ZINC000362421223 1127634528 /nfs/dbraw/zinc/63/45/28/1127634528.db2.gz RCNKUIYHZDEFRA-OLZOCXBDSA-N 0 1 289.398 3.816 20 0 CHADMN CC(=O)c1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000295730471 1127651506 /nfs/dbraw/zinc/65/15/06/1127651506.db2.gz VUYLBZZALJCVNE-QGZVFWFLSA-N 0 1 268.360 3.554 20 0 CHADMN COc1cccc(CNc2ccc3c(c2)nc(C)n3C)c1F ZINC000669683620 1127652416 /nfs/dbraw/zinc/65/24/16/1127652416.db2.gz XCBKGVVCVVAWTE-UHFFFAOYSA-N 0 1 299.349 3.642 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H]1CCCc2ccccc21 ZINC000295967201 1127659082 /nfs/dbraw/zinc/65/90/82/1127659082.db2.gz MKPJJWFUXOLZLH-CJNGLKHVSA-N 0 1 269.392 3.631 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2nc(Cl)ccc21)c1ccccn1 ZINC000296017669 1127660546 /nfs/dbraw/zinc/66/05/46/1127660546.db2.gz PGKIMJRPUWKENP-BXUZGUMPSA-N 0 1 287.794 3.858 20 0 CHADMN C[C@@H](NCc1ccccc1OC1CC1)c1cccc(O)c1 ZINC000296047210 1127661422 /nfs/dbraw/zinc/66/14/22/1127661422.db2.gz QGJJQNUYHJIQHH-CYBMUJFWSA-N 0 1 283.371 3.784 20 0 CHADMN Fc1cc(F)c2c(c1)[C@H](NCc1cccnc1)CCC2 ZINC000296070061 1127661951 /nfs/dbraw/zinc/66/19/51/1127661951.db2.gz PUWFRUIJDCYPGI-MRXNPFEDSA-N 0 1 274.314 3.527 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000296057526 1127662181 /nfs/dbraw/zinc/66/21/81/1127662181.db2.gz RNDTXKGMSPJOMF-DYVFJYSZSA-N 0 1 299.418 3.714 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1ncccc1Cl ZINC000599330117 1127668284 /nfs/dbraw/zinc/66/82/84/1127668284.db2.gz HCLNIFVIEVNJMD-LLVKDONJSA-N 0 1 272.845 3.699 20 0 CHADMN C[C@@H]1C[C@@H](NCc2nc3cc(Cl)ccc3s2)[C@@H](C)O1 ZINC000296426374 1127671383 /nfs/dbraw/zinc/67/13/83/1127671383.db2.gz MXMUJTHTGOPTRZ-FXPVBKGRSA-N 0 1 296.823 3.605 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](CC2CC2)c2ccccc2)nn1C ZINC000669702514 1127678996 /nfs/dbraw/zinc/67/89/96/1127678996.db2.gz KCDYASATYLXXDM-RDTXWAMCSA-N 0 1 283.419 3.921 20 0 CHADMN CC(C)c1nnc(CN[C@@H]2C[C@H](c3ccccc3)C2(C)C)[nH]1 ZINC000296564290 1127676351 /nfs/dbraw/zinc/67/63/51/1127676351.db2.gz SKMNGYZBCASRBE-HUUCEWRRSA-N 0 1 298.434 3.600 20 0 CHADMN CC(C)c1nnc(CN[C@@H]2C[C@@H](c3ccccc3)C2(C)C)[nH]1 ZINC000296564291 1127676364 /nfs/dbraw/zinc/67/63/64/1127676364.db2.gz SKMNGYZBCASRBE-LSDHHAIUSA-N 0 1 298.434 3.600 20 0 CHADMN FC(F)(F)[C@@H]1C[C@H](Nc2ccc3cnccc3c2)CCO1 ZINC000296585659 1127676742 /nfs/dbraw/zinc/67/67/42/1127676742.db2.gz QBKFNIVOANOIRW-KGLIPLIRSA-N 0 1 296.292 3.757 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1cncs1 ZINC000296610246 1127678288 /nfs/dbraw/zinc/67/82/88/1127678288.db2.gz WFZVYPWFMSIPKG-NTZNESFSSA-N 0 1 274.389 3.706 20 0 CHADMN C[C@@H]1CN(Cc2ccsc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599583080 1127681075 /nfs/dbraw/zinc/68/10/75/1127681075.db2.gz QFLOURXKRPQJKD-OCCSQVGLSA-N 0 1 295.448 3.548 20 0 CHADMN CCN(c1ccc(N[C@H]2CCn3ccnc32)cc1)C(C)C ZINC000296706133 1127681760 /nfs/dbraw/zinc/68/17/60/1127681760.db2.gz HYBGEDZDSSCPKD-INIZCTEOSA-N 0 1 284.407 3.675 20 0 CHADMN Cc1nc2cc(N[C@@H]3CCC34CCC4)ccc2n1C ZINC000669703637 1127681881 /nfs/dbraw/zinc/68/18/81/1127681881.db2.gz DHXPISGBIYFSMR-OAHLLOKOSA-N 0 1 255.365 3.626 20 0 CHADMN Cc1nnc(CN2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)s1 ZINC000296728494 1127682334 /nfs/dbraw/zinc/68/23/34/1127682334.db2.gz NXEZCRXVHHFWGO-LALPHHSUSA-N 0 1 287.432 3.613 20 0 CHADMN Cc1cc([C@H](C)NCCCCc2ccccc2)no1 ZINC000669705220 1127683441 /nfs/dbraw/zinc/68/34/41/1127683441.db2.gz CJYBJYDUSOLFEN-AWEZNQCLSA-N 0 1 258.365 3.657 20 0 CHADMN COC[C@H](NCc1ccncc1C)c1ccc(Cl)cc1 ZINC000296649434 1127680167 /nfs/dbraw/zinc/68/01/67/1127680167.db2.gz CZJBKBDHWPMOKC-INIZCTEOSA-N 0 1 290.794 3.521 20 0 CHADMN Cc1c2ccccc2oc1[C@H](C)NCc1n[nH]c(C(C)C)n1 ZINC000296659151 1127680688 /nfs/dbraw/zinc/68/06/88/1127680688.db2.gz ZQNFCSFJCHGALA-LBPRGKRZSA-N 0 1 298.390 3.834 20 0 CHADMN CC(C)Cc1cccc([C@@H](C)NCc2n[nH]c(C3CC3)n2)c1 ZINC000296661253 1127680843 /nfs/dbraw/zinc/68/08/43/1127680843.db2.gz ZTWMBROCKLRKDG-CYBMUJFWSA-N 0 1 298.434 3.731 20 0 CHADMN C[C@H](N[C@H]1Cc2ccc(Cl)cc2C1)c1cscn1 ZINC000669705272 1127684928 /nfs/dbraw/zinc/68/49/28/1127684928.db2.gz VQIBNTQAQYRULM-ZANVPECISA-N 0 1 278.808 3.615 20 0 CHADMN CCCC[C@@H](C)N(CCCC)C(=O)NCc1cn[nH]c1C ZINC000297089632 1127688593 /nfs/dbraw/zinc/68/85/93/1127688593.db2.gz MRKOCXYLBKMTJF-CYBMUJFWSA-N 0 1 294.443 3.609 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000604053788 1127691653 /nfs/dbraw/zinc/69/16/53/1127691653.db2.gz GDHBCGXISJUGDN-AWEZNQCLSA-N 0 1 292.398 3.522 20 0 CHADMN CC(C)[C@H]1CCCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000604053788 1127691656 /nfs/dbraw/zinc/69/16/56/1127691656.db2.gz GDHBCGXISJUGDN-AWEZNQCLSA-N 0 1 292.398 3.522 20 0 CHADMN CCc1cccc(NCc2ccc3nc[nH]c3c2)c1 ZINC000604064307 1127693187 /nfs/dbraw/zinc/69/31/87/1127693187.db2.gz RMQPPSBSECZYAH-UHFFFAOYSA-N 0 1 251.333 3.737 20 0 CHADMN CSc1cccc(NCc2ccc3nc[nH]c3c2)c1 ZINC000604064453 1127693366 /nfs/dbraw/zinc/69/33/66/1127693366.db2.gz ZGQYKVHMAFQVKB-UHFFFAOYSA-N 0 1 269.373 3.897 20 0 CHADMN CCO[C@@H]1C[C@@H](Nc2ccc3cnccc3c2)[C@@H]1SC ZINC000297339151 1127693896 /nfs/dbraw/zinc/69/38/96/1127693896.db2.gz FACOHWCIQOPCAV-OAGGEKHMSA-N 0 1 288.416 3.556 20 0 CHADMN CC(C)n1ncnc1CN(C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297424263 1127696363 /nfs/dbraw/zinc/69/63/63/1127696363.db2.gz FADWEJNIBFKFDM-IAGOWNOFSA-N 0 1 298.434 3.627 20 0 CHADMN Cc1cnc(C[N@H+](C)[C@@H]2CCC[C@H]2c2ccccc2)o1 ZINC000297450638 1127696753 /nfs/dbraw/zinc/69/67/53/1127696753.db2.gz HAXYYTIZGNTNGR-JKSUJKDBSA-N 0 1 270.376 3.751 20 0 CHADMN Cc1nnc(C[N@@H+]2CC[C@@H](Cc3ccc(C(C)C)cc3)C2)o1 ZINC000364316772 1127697058 /nfs/dbraw/zinc/69/70/58/1127697058.db2.gz MLCVHQRSWGPDSG-INIZCTEOSA-N 0 1 299.418 3.566 20 0 CHADMN Cc1nnc(CN2CC[C@@H](Cc3ccc(C(C)C)cc3)C2)o1 ZINC000364316772 1127697060 /nfs/dbraw/zinc/69/70/60/1127697060.db2.gz MLCVHQRSWGPDSG-INIZCTEOSA-N 0 1 299.418 3.566 20 0 CHADMN Cc1ccccc1[C@@H](N[C@@H]1CCn2ccnc21)C(C)C ZINC000297495651 1127697864 /nfs/dbraw/zinc/69/78/64/1127697864.db2.gz BRLABNQJRFUKHW-CVEARBPZSA-N 0 1 269.392 3.623 20 0 CHADMN O=C(CCc1ccccc1F)Nc1cccc(Cl)c1O ZINC000604266812 1127699919 /nfs/dbraw/zinc/69/99/19/1127699919.db2.gz XRPGUACYIMBZRG-UHFFFAOYSA-N 0 1 293.725 3.756 20 0 CHADMN CCCCC1CCC(NC(=O)c2[nH]nc(C)c2C)CC1 ZINC000604318745 1127701527 /nfs/dbraw/zinc/70/15/27/1127701527.db2.gz BCUKYZXQCIEZTK-UHFFFAOYSA-N 0 1 277.412 3.505 20 0 CHADMN FC(F)(F)c1cccc(CN2CC(C3CCOCC3)C2)c1 ZINC000669715625 1127703176 /nfs/dbraw/zinc/70/31/76/1127703176.db2.gz ZVDKPDIONZRBCY-UHFFFAOYSA-N 0 1 299.336 3.564 20 0 CHADMN CCC[C@H](N)c1cc(-c2ccc(Br)cc2)no1 ZINC000229873488 1127712272 /nfs/dbraw/zinc/71/22/72/1127712272.db2.gz SHLYLEMUMNXWFG-NSHDSACASA-N 0 1 295.180 3.904 20 0 CHADMN CCc1csc(CN2CCC3(C2)CCCCC3)n1 ZINC001232475414 1127714989 /nfs/dbraw/zinc/71/49/89/1127714989.db2.gz PFYBQUUCJXUHIV-UHFFFAOYSA-N 0 1 264.438 3.862 20 0 CHADMN COc1c(CN2CC(C)C2)cccc1OCc1ccccc1 ZINC001238744612 1131240663 /nfs/dbraw/zinc/24/06/63/1131240663.db2.gz LCTSVVTWGINXGO-UHFFFAOYSA-N 0 1 297.398 3.726 20 0 CHADMN CC(C)c1cc(=O)n(-c2cccc(OC(F)(F)F)c2)[nH]1 ZINC001245917161 1131240720 /nfs/dbraw/zinc/24/07/20/1131240720.db2.gz FTDHTDKNNHZWKI-UHFFFAOYSA-N 0 1 286.253 3.600 20 0 CHADMN CC(C)c1nc(CN2CCc3ccccc3CC2)cs1 ZINC000604759680 1127715805 /nfs/dbraw/zinc/71/58/05/1127715805.db2.gz RZVNKHCBISQJPG-UHFFFAOYSA-N 0 1 286.444 3.867 20 0 CHADMN Cc1noc([C@H](C)N2CCC[C@@H](C(C)(C)C)CC2)n1 ZINC000604759881 1127715909 /nfs/dbraw/zinc/71/59/09/1127715909.db2.gz QOJDEXCFVZTHSJ-WCQYABFASA-N 0 1 265.401 3.587 20 0 CHADMN CC(C)n1ccc(CN2CCC[C@@H](Cc3ccccc3)C2)n1 ZINC000604885514 1127720837 /nfs/dbraw/zinc/72/08/37/1127720837.db2.gz WQFANRGOFOFDQN-SFHVURJKSA-N 0 1 297.446 3.919 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2ccn(C(C)C)n2)CC1 ZINC000604885048 1127720862 /nfs/dbraw/zinc/72/08/62/1127720862.db2.gz BRZGALDCWLOJKO-OAHLLOKOSA-N 0 1 263.429 3.722 20 0 CHADMN COc1ccccc1[C@@H]1CCCN1Cc1ccnn1C(C)C ZINC000365426877 1127728719 /nfs/dbraw/zinc/72/87/19/1127728719.db2.gz YXTVYIVGKSRHGF-KRWDZBQOSA-N 0 1 299.418 3.810 20 0 CHADMN CC(C)[C@H](CN1CCC[C@@H]1c1ncon1)c1ccccc1 ZINC000365427071 1127728737 /nfs/dbraw/zinc/72/87/37/1127728737.db2.gz ZFGXQBIEDJADLY-JKSUJKDBSA-N 0 1 285.391 3.646 20 0 CHADMN Cc1ncc(CN2CCS[C@@H](c3ccccc3)C2)s1 ZINC000605155215 1127731122 /nfs/dbraw/zinc/73/11/22/1127731122.db2.gz LKNFPTWFNSRFHL-OAHLLOKOSA-N 0 1 290.457 3.742 20 0 CHADMN Cc1ccc(CCSc2nc(C(C)(C)C)n[nH]2)cc1 ZINC000605446260 1127736858 /nfs/dbraw/zinc/73/68/58/1127736858.db2.gz FBZUGQVQKGSIGP-UHFFFAOYSA-N 0 1 275.421 3.745 20 0 CHADMN Cc1ccc(CCSc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000605446260 1127736861 /nfs/dbraw/zinc/73/68/61/1127736861.db2.gz FBZUGQVQKGSIGP-UHFFFAOYSA-N 0 1 275.421 3.745 20 0 CHADMN COc1ccc2c(c1)OCC[C@H]2N[C@H](C)c1ccsc1 ZINC000366226515 1127744020 /nfs/dbraw/zinc/74/40/20/1127744020.db2.gz BDAMVSUSZYUYBI-IAQYHMDHSA-N 0 1 289.400 3.931 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@@H](c3ccc(C)cc3)C2)s1 ZINC000367273537 1127751970 /nfs/dbraw/zinc/75/19/70/1127751970.db2.gz DTJKRVDWYQCKML-SWLSCSKDSA-N 0 1 287.432 3.705 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2C[C@H](c3ccccc3C)C2)no1 ZINC000367375434 1127754100 /nfs/dbraw/zinc/75/41/00/1127754100.db2.gz SLOXMLUHNPRIQW-RBSFLKMASA-N 0 1 270.376 3.888 20 0 CHADMN Clc1cccc([C@H]2C[C@H](NCc3cscn3)C2)c1 ZINC000369159770 1127759993 /nfs/dbraw/zinc/75/99/93/1127759993.db2.gz AGGDLCAPIHXZFR-AULYBMBSSA-N 0 1 278.808 3.832 20 0 CHADMN C=C(Br)CN1CCC[C@@H]1CCc1ccccc1 ZINC000062640514 1127766422 /nfs/dbraw/zinc/76/64/22/1127766422.db2.gz PFEPKABQSRMEOM-OAHLLOKOSA-N 0 1 294.236 3.992 20 0 CHADMN C([C@H]1CCC2(CCCCC2)O1)N1CCO[C@H]2CCCC[C@H]21 ZINC000409446854 1127768032 /nfs/dbraw/zinc/76/80/32/1127768032.db2.gz RABZJWUUBGZPEE-ZACQAIPSSA-N 0 1 293.451 3.512 20 0 CHADMN COc1c(C)cnc(CN2C[C@@H](C)[C@H]2c2ccccc2)c1C ZINC000409447099 1127768104 /nfs/dbraw/zinc/76/81/04/1127768104.db2.gz QLIMMZWGLFYSQH-KDOFPFPSSA-N 0 1 296.414 3.900 20 0 CHADMN C([C@H]1CCC2(CCCCC2)O1)N1CCOC2(CCCC2)C1 ZINC000409446817 1127768525 /nfs/dbraw/zinc/76/85/25/1127768525.db2.gz IDOYGUDREOMMDD-MRXNPFEDSA-N 0 1 293.451 3.513 20 0 CHADMN COC(=O)c1ccc([C@@H](C)N[C@H](C)c2ccc(C)s2)o1 ZINC000230635752 1127769611 /nfs/dbraw/zinc/76/96/11/1127769611.db2.gz ROXXCXXYFSGBPN-GHMZBOCLSA-N 0 1 293.388 3.848 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2ncc(C(C)(C)C)o2)C1 ZINC000409445943 1127770498 /nfs/dbraw/zinc/77/04/98/1127770498.db2.gz CUUNSZUPUNPLOA-JHJVBQTASA-N 0 1 264.413 3.839 20 0 CHADMN Cc1ccc(-c2nc(CN3C[C@H](C)C[C@@H]3C)cs2)o1 ZINC000607154383 1127791422 /nfs/dbraw/zinc/79/14/22/1127791422.db2.gz UCDIVXAFYGIGPB-MNOVXSKESA-N 0 1 276.405 3.942 20 0 CHADMN CC(C)N(CCC(F)(F)F)Cc1cccc(F)c1 ZINC000607151067 1127793008 /nfs/dbraw/zinc/79/30/08/1127793008.db2.gz OPKLCNARLFKIMF-UHFFFAOYSA-N 0 1 263.278 3.989 20 0 CHADMN CN(Cc1ccc2ccccc2c1)C[C@@](C)(O)C(F)(F)F ZINC000410311263 1127805519 /nfs/dbraw/zinc/80/55/19/1127805519.db2.gz ULFXPCGPGCBALE-OAHLLOKOSA-N 0 1 297.320 3.585 20 0 CHADMN Cc1nc(C2(NCCCC(C)(C)C)CCCCC2)no1 ZINC000410427175 1127809188 /nfs/dbraw/zinc/80/91/88/1127809188.db2.gz UMHBJIFBLVYEJU-UHFFFAOYSA-N 0 1 279.428 3.953 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)NC(CC)(CC)CC)o1 ZINC000607571716 1127814935 /nfs/dbraw/zinc/81/49/35/1127814935.db2.gz XZRIRCFPDRMRGG-UHFFFAOYSA-N 0 1 294.439 3.820 20 0 CHADMN Cc1cccc(NC(=O)CN(C)CCC2CCCC2)c1C ZINC000607725440 1127825393 /nfs/dbraw/zinc/82/53/93/1127825393.db2.gz OXTYXGQUQANUGX-UHFFFAOYSA-N 0 1 288.435 3.754 20 0 CHADMN CCN(CCC(F)(F)F)Cc1sc(C)nc1C ZINC000607728091 1127826963 /nfs/dbraw/zinc/82/69/63/1127826963.db2.gz AJSGSMLLBUTJLZ-UHFFFAOYSA-N 0 1 266.332 3.534 20 0 CHADMN Fc1cccc([C@@H]2C[C@H]2N2CCc3sccc3C2)c1 ZINC000411144601 1127842888 /nfs/dbraw/zinc/84/28/88/1127842888.db2.gz PVMIUKHBOJVMSV-LSDHHAIUSA-N 0 1 273.376 3.801 20 0 CHADMN CCC[N@@H+](CC1CCCCC1)[C@@H](C)c1nc(COC)no1 ZINC000411186547 1127846382 /nfs/dbraw/zinc/84/63/82/1127846382.db2.gz JQEJSHSMXQNCIT-ZDUSSCGKSA-N 0 1 295.427 3.569 20 0 CHADMN Cc1csc([C@@H](NCc2[nH]nc3ccccc32)C2CC2)n1 ZINC000608062976 1127842053 /nfs/dbraw/zinc/84/20/53/1127842053.db2.gz GEVPQFUWSBQINV-HNNXBMFYSA-N 0 1 298.415 3.569 20 0 CHADMN CN(CCC(F)(F)F)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411212625 1127848209 /nfs/dbraw/zinc/84/82/09/1127848209.db2.gz KYRMFSYNUQOFCJ-RYUDHWBXSA-N 0 1 261.262 3.566 20 0 CHADMN COC(=O)c1cc(CNC(C)(C)c2ccccc2)cs1 ZINC000411225087 1127849760 /nfs/dbraw/zinc/84/97/60/1127849760.db2.gz GIUMJQXYLJKVPS-UHFFFAOYSA-N 0 1 289.400 3.560 20 0 CHADMN CCCN(C)CC(=O)N(C)c1ccc(-c2ccccc2)cc1 ZINC000608163559 1127850865 /nfs/dbraw/zinc/85/08/65/1127850865.db2.gz CDAFMEGVKGAVNU-UHFFFAOYSA-N 0 1 296.414 3.658 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cccc([O-])c2Cl)C[C@H]1C ZINC001232784589 1127853058 /nfs/dbraw/zinc/85/30/58/1127853058.db2.gz PQVIRUZWOBMQGD-VXGBXAGGSA-N 0 1 267.800 3.914 20 0 CHADMN Cc1ccc([C@H]2CCCCN2Cc2ccnc(C)n2)cc1 ZINC000373641167 1127855557 /nfs/dbraw/zinc/85/55/57/1127855557.db2.gz ARPGOMXXVILLAP-GOSISDBHSA-N 0 1 281.403 3.821 20 0 CHADMN Cc1ccccc1-c1noc(CN2C[C@@H](C)CC[C@@H]2C)n1 ZINC000608511194 1127874252 /nfs/dbraw/zinc/87/42/52/1127874252.db2.gz DZKJJROARUGYFK-JSGCOSHPSA-N 0 1 285.391 3.665 20 0 CHADMN C[C@@H]1CCC(C)(C)N1Cc1ccc(Br)cn1 ZINC000411811068 1127875355 /nfs/dbraw/zinc/87/53/55/1127875355.db2.gz SIOFRQBCNDHVRW-SNVBAGLBSA-N 0 1 283.213 3.607 20 0 CHADMN CCOC(=O)c1ccc(CN[C@@H](CC)c2ccccc2)o1 ZINC000411886935 1127878262 /nfs/dbraw/zinc/87/82/62/1127878262.db2.gz NJFLJKPKPRMGML-HNNXBMFYSA-N 0 1 287.359 3.697 20 0 CHADMN CC(C)[C@@H]1CCCN1CN1c2cccc3cccc(c23)C1=O ZINC000063858884 1127880561 /nfs/dbraw/zinc/88/05/61/1127880561.db2.gz YZSKSTLKYPGIQL-INIZCTEOSA-N 0 1 294.398 3.878 20 0 CHADMN CCc1nnc(CN(C)[C@H]2CCCC[C@@H]2c2ccccc2)[nH]1 ZINC000412015677 1127887729 /nfs/dbraw/zinc/88/77/29/1127887729.db2.gz UEEPKQRADGUIFB-CVEARBPZSA-N 0 1 298.434 3.525 20 0 CHADMN Cc1ccc(-c2nnc(CN3CC(C)(C)C[C@@H]3C)o2)cc1 ZINC000412039330 1127892679 /nfs/dbraw/zinc/89/26/79/1127892679.db2.gz JLRMIPIFCNXDPR-ZDUSSCGKSA-N 0 1 285.391 3.665 20 0 CHADMN C[C@@H]1CC(C)(C)CN1Cc1csc(C2CC2)n1 ZINC000412050750 1127892836 /nfs/dbraw/zinc/89/28/36/1127892836.db2.gz ZHUROZYXOBTHPZ-SNVBAGLBSA-N 0 1 250.411 3.641 20 0 CHADMN Cc1ccc(C[C@@H]2CCCN([C@H](C)c3ncccn3)C2)cc1 ZINC000929424698 1127900411 /nfs/dbraw/zinc/90/04/11/1127900411.db2.gz NGPBICYKBIVWHP-AEFFLSMTSA-N 0 1 295.430 3.801 20 0 CHADMN COCC[C@H](NCc1ccc2cc[nH]c2c1)c1ccc(C)o1 ZINC000623486756 1127901896 /nfs/dbraw/zinc/90/18/96/1127901896.db2.gz HBJZGMHMKHHFQC-INIZCTEOSA-N 0 1 298.386 3.937 20 0 CHADMN Cc1nnc(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)s1 ZINC000374573443 1127904462 /nfs/dbraw/zinc/90/44/62/1127904462.db2.gz UQDQLPPFDTWHJV-MUJYYYPQSA-N 0 1 299.443 3.757 20 0 CHADMN COc1cccc([C@H]2C[C@H](C)CN2Cc2cc(C)no2)c1 ZINC000374591628 1127905847 /nfs/dbraw/zinc/90/58/47/1127905847.db2.gz FAYDGNLNMVAENT-YVEFUNNKSA-N 0 1 286.375 3.575 20 0 CHADMN Clc1ccccc1C1=CCN(C[C@H]2CCCCO2)CC1 ZINC000509450554 1127902908 /nfs/dbraw/zinc/90/29/08/1127902908.db2.gz KCPLXDSQSZAYQT-OAHLLOKOSA-N 0 1 291.822 3.998 20 0 CHADMN C[C@H]1CN(Cc2cc(O)cc(Br)c2)C2(CC2)C1 ZINC001232999350 1127907949 /nfs/dbraw/zinc/90/79/49/1127907949.db2.gz CYRRFIGALYLFND-SNVBAGLBSA-N 0 1 296.208 3.529 20 0 CHADMN c1ccc(CCSc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000007472025 1127908758 /nfs/dbraw/zinc/90/87/58/1127908758.db2.gz GNCBXSYXDCYANU-UHFFFAOYSA-N 0 1 281.384 3.807 20 0 CHADMN Cc1ccc2nc(-c3cccc(-n4cccn4)c3)[nH]c2c1 ZINC000535359147 1127913449 /nfs/dbraw/zinc/91/34/49/1127913449.db2.gz HWKWMBHEXPMVCE-UHFFFAOYSA-N 0 1 274.327 3.724 20 0 CHADMN C[C@H](CCC(C)(C)C)NC(=O)c1n[nH]c2ccccc21 ZINC000386115065 1127918931 /nfs/dbraw/zinc/91/89/31/1127918931.db2.gz LAZPLBFYCCZPOC-LLVKDONJSA-N 0 1 273.380 3.508 20 0 CHADMN C[C@@H](c1ccccc1F)N1CCC(Nc2ccccn2)CC1 ZINC000535573758 1127920085 /nfs/dbraw/zinc/92/00/85/1127920085.db2.gz IQGUUWPVYNKDBC-AWEZNQCLSA-N 0 1 299.393 3.858 20 0 CHADMN CCC(CC)[C@@H](C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000535589206 1127920792 /nfs/dbraw/zinc/92/07/92/1127920792.db2.gz DEFPBFVWOJWUES-OCCSQVGLSA-N 0 1 296.480 3.539 20 0 CHADMN CCCN1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428788071 1127928173 /nfs/dbraw/zinc/92/81/73/1127928173.db2.gz VSEUWVPNMLHYEK-FZMZJTMJSA-N 0 1 287.325 3.877 20 0 CHADMN CCCN1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428788072 1127928333 /nfs/dbraw/zinc/92/83/33/1127928333.db2.gz VSEUWVPNMLHYEK-RISCZKNCSA-N 0 1 287.325 3.877 20 0 CHADMN C[C@H](NC[C@](C)(O)C(F)F)c1ccc(Cl)cc1Cl ZINC000698706122 1127930067 /nfs/dbraw/zinc/93/00/67/1127930067.db2.gz ZXMXOGOEOAIJPJ-MADCSZMMSA-N 0 1 298.160 3.660 20 0 CHADMN CC(C)N(C)c1ccc(CN[C@H](C)c2ccsc2)cn1 ZINC000669830999 1127930399 /nfs/dbraw/zinc/93/03/99/1127930399.db2.gz ICERDWBGFINKAG-CYBMUJFWSA-N 0 1 289.448 3.839 20 0 CHADMN COc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)cc1F ZINC000470944433 1127933182 /nfs/dbraw/zinc/93/31/82/1127933182.db2.gz IVAZPOJMWWSWII-ONGXEEELSA-N 0 1 291.288 3.607 20 0 CHADMN Cc1nc([C@H](C)Sc2cc(C)c3ccccc3n2)n[nH]1 ZINC000412975195 1127933833 /nfs/dbraw/zinc/93/38/33/1127933833.db2.gz FKSNOJFVGPJHCO-JTQLQIEISA-N 0 1 284.388 3.823 20 0 CHADMN Cc1nc([C@@H](C)SCc2ccc(Cl)cc2)n[nH]1 ZINC000412974862 1127934391 /nfs/dbraw/zinc/93/43/91/1127934391.db2.gz DKTHTHDIUYDLFU-MRVPVSSYSA-N 0 1 267.785 3.761 20 0 CHADMN Cc1nc([C@@H](C)SCc2cccc(Cl)c2)n[nH]1 ZINC000412987997 1127935508 /nfs/dbraw/zinc/93/55/08/1127935508.db2.gz BTWZUPQJJJOPJN-MRVPVSSYSA-N 0 1 267.785 3.761 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000380175796 1127936412 /nfs/dbraw/zinc/93/64/12/1127936412.db2.gz BZCFJAQHFDVQOR-KCPJHIHWSA-N 0 1 295.810 3.834 20 0 CHADMN Cc1nc([C@H](C)SCc2cc(C)ccc2C)n[nH]1 ZINC000412994070 1127936685 /nfs/dbraw/zinc/93/66/85/1127936685.db2.gz ORIXXVSPEXPOPL-NSHDSACASA-N 0 1 261.394 3.724 20 0 CHADMN Cc1nc([C@@H](C)SCc2ccccc2C2CC2)n[nH]1 ZINC000413003713 1127938786 /nfs/dbraw/zinc/93/87/86/1127938786.db2.gz IXOZMROUJLBXEP-SNVBAGLBSA-N 0 1 273.405 3.985 20 0 CHADMN CC[C@]1(NCc2cc(Cl)sc2Cl)CCOC1 ZINC000312596853 1127940196 /nfs/dbraw/zinc/94/01/96/1127940196.db2.gz GPDJHPLRPUNURC-NSHDSACASA-N 0 1 280.220 3.714 20 0 CHADMN Cc1nccc(N[C@H]2CCc3ccc(F)cc32)c1Cl ZINC000539813807 1127941789 /nfs/dbraw/zinc/94/17/89/1127941789.db2.gz GLHFCCLSSRDLIU-ZDUSSCGKSA-N 0 1 276.742 3.704 20 0 CHADMN C[C@@H]1CN(Cc2cccc3c2OCCO3)[C@@H]1c1ccccc1 ZINC000539820633 1127942855 /nfs/dbraw/zinc/94/28/55/1127942855.db2.gz OKVYFFVKXDHRFB-KDOFPFPSSA-N 0 1 295.382 3.651 20 0 CHADMN CCn1c2ccccc2nc1CN1CC[C@@H](C)[C@@H](C)C1 ZINC000539829223 1127945234 /nfs/dbraw/zinc/94/52/34/1127945234.db2.gz LLXXGIAWTYEYHT-KGLIPLIRSA-N 0 1 271.408 3.534 20 0 CHADMN Clc1ccc(CN2CCC[C@@H]2Cc2ccccn2)o1 ZINC001233316552 1127947547 /nfs/dbraw/zinc/94/75/47/1127947547.db2.gz NQXVNKVSSYXGMM-CYBMUJFWSA-N 0 1 276.767 3.535 20 0 CHADMN Cc1ccsc1CN1CCc2ccc(F)cc2C1 ZINC000539839462 1127948216 /nfs/dbraw/zinc/94/82/16/1127948216.db2.gz VUKWFWIGWLDXHS-UHFFFAOYSA-N 0 1 261.365 3.754 20 0 CHADMN CN(Cc1ccc[nH]1)Cc1cccc(OC2CCCC2)c1 ZINC000539861887 1127949714 /nfs/dbraw/zinc/94/97/14/1127949714.db2.gz YWJJOILRNSZBKG-UHFFFAOYSA-N 0 1 284.403 3.968 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1Cc1cn2ccccc2n1 ZINC000466923722 1127950566 /nfs/dbraw/zinc/95/05/66/1127950566.db2.gz MEIRCWPPDKQLLA-GOSISDBHSA-N 0 1 291.398 3.671 20 0 CHADMN Cc1cccc(-c2noc(CN3[C@H](C)CCC[C@@H]3C)n2)c1 ZINC000466922024 1127950577 /nfs/dbraw/zinc/95/05/77/1127950577.db2.gz RVBDJXHLKDURCM-OKILXGFUSA-N 0 1 285.391 3.808 20 0 CHADMN CC[C@]1(C)CCCN(Cc2nc3ccc(F)cc3o2)C1 ZINC000466956389 1127951570 /nfs/dbraw/zinc/95/15/70/1127951570.db2.gz UPFABUYHFSTRQI-MRXNPFEDSA-N 0 1 276.355 3.979 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1Cc1cnc2ccccn12 ZINC000466954528 1127951854 /nfs/dbraw/zinc/95/18/54/1127951854.db2.gz MXBJUKHQZSIJAP-KRWDZBQOSA-N 0 1 291.398 3.671 20 0 CHADMN CCC(CC)[C@H](C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000539908867 1127953037 /nfs/dbraw/zinc/95/30/37/1127953037.db2.gz MXGNFRHUDZPLTH-JTQLQIEISA-N 0 1 273.380 3.882 20 0 CHADMN c1csc(-c2nc(CNC[C@H]3CCC=CO3)cs2)c1 ZINC000780571465 1127954795 /nfs/dbraw/zinc/95/47/95/1127954795.db2.gz ZJSXKMAYNGCOAY-GFCCVEGCSA-N 0 1 292.429 3.654 20 0 CHADMN CC(C)(C)OCCNCc1ncc(-c2ccccc2)s1 ZINC000539950930 1127955674 /nfs/dbraw/zinc/95/56/74/1127955674.db2.gz PAMJIQSEIXEOMY-UHFFFAOYSA-N 0 1 290.432 3.715 20 0 CHADMN Cc1nc(C)c(CNCc2ccc(C(C)(C)C)s2)o1 ZINC000311819331 1127957266 /nfs/dbraw/zinc/95/72/66/1127957266.db2.gz YIRRIULOPJHFQY-UHFFFAOYSA-N 0 1 278.421 3.940 20 0 CHADMN C[C@@H]1CN(Cc2nc3ccc(F)cc3o2)CC(C)(C)C1 ZINC000544111187 1127959182 /nfs/dbraw/zinc/95/91/82/1127959182.db2.gz NWMFYPCLYOPTSO-NSHDSACASA-N 0 1 276.355 3.835 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CC[C@@H](C(C)(C)C)C2)n1 ZINC000544187485 1127962155 /nfs/dbraw/zinc/96/21/55/1127962155.db2.gz CDQYSDQLUQXGPZ-VXGBXAGGSA-N 0 1 265.401 3.622 20 0 CHADMN C[C@H](Cc1ccsc1)NCc1nnc(C(C)(C)C)s1 ZINC000540156934 1127964879 /nfs/dbraw/zinc/96/48/79/1127964879.db2.gz LSPJJMBECLMZKP-SNVBAGLBSA-N 0 1 295.477 3.618 20 0 CHADMN C[C@H](N[C@H]1CCCc2c[nH]nc21)c1cc2c(s1)CCC2 ZINC000540164049 1127966501 /nfs/dbraw/zinc/96/65/01/1127966501.db2.gz SHRDEHYSVWXLTC-GWCFXTLKSA-N 0 1 287.432 3.688 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N[C@H](CO)c2cccc(F)c2)c1 ZINC000540184909 1127968235 /nfs/dbraw/zinc/96/82/35/1127968235.db2.gz WDOGBRORSAZICU-RDTXWAMCSA-N 0 1 287.378 3.827 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1cn(C)nc1C(C)(C)C ZINC000540482694 1127979632 /nfs/dbraw/zinc/97/96/32/1127979632.db2.gz CDNXHHIVYWYDGL-CQSZACIVSA-N 0 1 297.446 3.664 20 0 CHADMN Fc1ccc([C@@H]2CCC[N@H+]2Cc2cccc3c2OCO3)cc1 ZINC000506631507 1127980553 /nfs/dbraw/zinc/98/05/53/1127980553.db2.gz PSWKHVDBXDKFHV-INIZCTEOSA-N 0 1 299.345 3.892 20 0 CHADMN Fc1ccc([C@@H]2CCCN2Cc2cccc3c2OCO3)cc1 ZINC000506631507 1127980554 /nfs/dbraw/zinc/98/05/54/1127980554.db2.gz PSWKHVDBXDKFHV-INIZCTEOSA-N 0 1 299.345 3.892 20 0 CHADMN CCCc1noc(CN[C@H](CCC)C2CCCCC2)n1 ZINC000540592760 1127985315 /nfs/dbraw/zinc/98/53/15/1127985315.db2.gz SHPCRTOQEAJVPQ-CQSZACIVSA-N 0 1 279.428 3.861 20 0 CHADMN CCC1(C)CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000507163433 1127991537 /nfs/dbraw/zinc/99/15/37/1127991537.db2.gz GAONRTMUNSDDNN-UHFFFAOYSA-N 0 1 293.382 3.704 20 0 CHADMN CC[C@@]1(C)CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C)C1 ZINC000468150630 1127995542 /nfs/dbraw/zinc/99/55/42/1127995542.db2.gz SNTWVVMDCZIUER-INIZCTEOSA-N 0 1 294.464 3.734 20 0 CHADMN CC[C@@]1(C)CCN(CC(=O)Nc2sc(C)c(C)c2C)C1 ZINC000468150630 1127995545 /nfs/dbraw/zinc/99/55/45/1127995545.db2.gz SNTWVVMDCZIUER-INIZCTEOSA-N 0 1 294.464 3.734 20 0 CHADMN c1nc2cc(-c3noc(CCC4CCCC4)n3)ccc2[nH]1 ZINC000545019948 1127996716 /nfs/dbraw/zinc/99/67/16/1127996716.db2.gz QSRSBJBOLQJTCE-UHFFFAOYSA-N 0 1 282.347 3.736 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1cnc(-c2ccccc2)nc1 ZINC000545213000 1128005557 /nfs/dbraw/zinc/00/55/57/1128005557.db2.gz AKZYJGGBGXEFFJ-LLVKDONJSA-N 0 1 295.308 3.574 20 0 CHADMN Cc1cc(Cl)ccc1CN1CCSC[C@@H]1C ZINC000468409372 1128007376 /nfs/dbraw/zinc/00/73/76/1128007376.db2.gz SZGFOZGKUQUBHL-NSHDSACASA-N 0 1 255.814 3.586 20 0 CHADMN CC(C)(CC[N@H+]1CCc2ccc(C(=O)[O-])cc2C1)C1CC1 ZINC000406057455 1128009501 /nfs/dbraw/zinc/00/95/01/1128009501.db2.gz KZTHXLQESFGBRR-UHFFFAOYSA-N 0 1 287.403 3.569 20 0 CHADMN CCc1ccc(CNc2nccn2CC(C)C)cc1 ZINC000508468205 1128015455 /nfs/dbraw/zinc/01/54/55/1128015455.db2.gz SGZHPVPJWXMPOF-UHFFFAOYSA-N 0 1 257.381 3.714 20 0 CHADMN Cc1ccc([C@H]2CCN(Cc3ccn(C(C)C)n3)C2)cc1 ZINC000541389811 1128020353 /nfs/dbraw/zinc/02/03/53/1128020353.db2.gz MJQNIPWJQKSXRT-KRWDZBQOSA-N 0 1 283.419 3.762 20 0 CHADMN CC[C@H]1CCC[C@H](CN(C)Cc2cscn2)C1 ZINC000541536458 1128026872 /nfs/dbraw/zinc/02/68/72/1128026872.db2.gz VGNJZHLVVKMEBR-STQMWFEESA-N 0 1 252.427 3.791 20 0 CHADMN CC(C)C1(CN[C@@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000541565021 1128026067 /nfs/dbraw/zinc/02/60/67/1128026067.db2.gz JYYDUIHUNUYFEE-KRWDZBQOSA-N 0 1 299.393 3.731 20 0 CHADMN Cc1nnc([C@@H](C)N[C@@H](C)CCSc2ccccc2)o1 ZINC000541684872 1128033574 /nfs/dbraw/zinc/03/35/74/1128033574.db2.gz HXQIJWFGAAPOBY-NWDGAFQWSA-N 0 1 291.420 3.600 20 0 CHADMN CCc1cccc(CN2CCC[C@H]2c2cc(C)no2)c1 ZINC000469070980 1128034246 /nfs/dbraw/zinc/03/42/46/1128034246.db2.gz VTQAQUSLBIGWGA-INIZCTEOSA-N 0 1 270.376 3.883 20 0 CHADMN CC[C@H](N[C@@H]1CCc2c1cccc2Cl)c1ccn(C)n1 ZINC000541743041 1128036610 /nfs/dbraw/zinc/03/66/10/1128036610.db2.gz BHXLASVPGABIFK-LSDHHAIUSA-N 0 1 289.810 3.802 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000302750355 1128041630 /nfs/dbraw/zinc/04/16/30/1128041630.db2.gz WFQMDONGENZZAU-CYBMUJFWSA-N 0 1 295.810 3.876 20 0 CHADMN C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3nc4cc(F)ccc4o3)C2)C1 ZINC000541955024 1128044937 /nfs/dbraw/zinc/04/49/37/1128044937.db2.gz SVVMJAWNCFMSHW-SJKOYZFVSA-N 0 1 288.366 3.979 20 0 CHADMN CSc1ccccc1CN[C@@H](CO)c1ccccc1C ZINC000541982166 1128046591 /nfs/dbraw/zinc/04/65/91/1128046591.db2.gz GDQTZHDFDLEUIN-INIZCTEOSA-N 0 1 287.428 3.540 20 0 CHADMN CCc1cccc(CN(C)Cc2c(C)nc3sccn23)c1 ZINC000469717729 1128050031 /nfs/dbraw/zinc/05/00/31/1128050031.db2.gz MRGSEVXJSMXHPQ-UHFFFAOYSA-N 0 1 299.443 3.899 20 0 CHADMN CC(C)Cn1cc(C[N@@H+]2CC=C(C(C)(C)C)CC2)cn1 ZINC000542165040 1128052946 /nfs/dbraw/zinc/05/29/46/1128052946.db2.gz IOQFGVZIDFVYLP-UHFFFAOYSA-N 0 1 275.440 3.717 20 0 CHADMN CC(C)Cn1cc(CN2CC=C(C(C)(C)C)CC2)cn1 ZINC000542165040 1128052948 /nfs/dbraw/zinc/05/29/48/1128052948.db2.gz IOQFGVZIDFVYLP-UHFFFAOYSA-N 0 1 275.440 3.717 20 0 CHADMN Cc1nc(C2(NC[C@H]3CCCC[C@@H]3C)CCCCC2)no1 ZINC000542248214 1128058501 /nfs/dbraw/zinc/05/85/01/1128058501.db2.gz ZWBFYWSSLNIMNP-DZGCQCFKSA-N 0 1 291.439 3.953 20 0 CHADMN c1cc(CNCc2ccc(C3CCC3)cc2)sn1 ZINC000623597990 1128062644 /nfs/dbraw/zinc/06/26/44/1128062644.db2.gz LNHXXKDAOWBKJP-UHFFFAOYSA-N 0 1 258.390 3.700 20 0 CHADMN Cc1cccc(-c2noc(C[N@H+]3CC[C@@H](C(C)(C)C)C3)n2)c1 ZINC000542323624 1128063598 /nfs/dbraw/zinc/06/35/98/1128063598.db2.gz VUWBPJBRBAISAX-OAHLLOKOSA-N 0 1 299.418 3.913 20 0 CHADMN CC(C)CCO[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001205085992 1128069151 /nfs/dbraw/zinc/06/91/51/1128069151.db2.gz UBBKJMOFNFECAO-OAHLLOKOSA-N 0 1 281.827 3.977 20 0 CHADMN CC[C@H]1CN(Cc2cc3ccccc3s2)C[C@@H](C)O1 ZINC000511854412 1128076348 /nfs/dbraw/zinc/07/63/48/1128076348.db2.gz HTCSJFPECKJMJS-OCCSQVGLSA-N 0 1 275.417 3.901 20 0 CHADMN C[C@H](N[C@@H](C)c1ccsc1)C(=O)N(C)C1CCCCC1 ZINC000669938832 1128076098 /nfs/dbraw/zinc/07/60/98/1128076098.db2.gz ATVDSCXILNAXFB-STQMWFEESA-N 0 1 294.464 3.578 20 0 CHADMN Cc1ccc(NC(=O)CN[C@@H](C)c2ccsc2)cc1C ZINC000669939503 1128077840 /nfs/dbraw/zinc/07/78/40/1128077840.db2.gz DVSMGWPIPCLCMX-ZDUSSCGKSA-N 0 1 288.416 3.654 20 0 CHADMN CN(CCCC1CCCC1)CC(=O)Nc1ccccc1 ZINC000470976244 1128083686 /nfs/dbraw/zinc/08/36/86/1128083686.db2.gz QEPQDJLGFKWSTA-UHFFFAOYSA-N 0 1 274.408 3.527 20 0 CHADMN CCC(F)(F)c1ccccc1NC(=O)c1[nH]c(C)nc1C ZINC000913769674 1128080490 /nfs/dbraw/zinc/08/04/90/1128080490.db2.gz OLYBSEFLCZSPCN-UHFFFAOYSA-N 0 1 293.317 3.781 20 0 CHADMN COc1ccncc1CN1CCCC[C@H]1c1ccccc1 ZINC000347099631 1128088643 /nfs/dbraw/zinc/08/86/43/1128088643.db2.gz VGXVTNBIZKVWAT-KRWDZBQOSA-N 0 1 282.387 3.817 20 0 CHADMN CC(C)N1CCC[C@@H]1c1nc(CCC(C)(C)C)no1 ZINC000924062580 1128089104 /nfs/dbraw/zinc/08/91/04/1128089104.db2.gz XPQJDZOHKQQXTJ-GFCCVEGCSA-N 0 1 265.401 3.594 20 0 CHADMN Cc1cc(C)nc(CN2CCCC[C@H]2c2cccn2C)c1 ZINC000929765465 1128091715 /nfs/dbraw/zinc/09/17/15/1128091715.db2.gz BKVLQAYBWVKOST-SFHVURJKSA-N 0 1 283.419 3.764 20 0 CHADMN Clc1cnccc1CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000173840760 1128093873 /nfs/dbraw/zinc/09/38/73/1128093873.db2.gz AKFQXFQLBVTRSF-HNNXBMFYSA-N 0 1 294.826 3.659 20 0 CHADMN Cc1ccncc1CNc1ccc(Cl)c(CN(C)C)c1 ZINC000282100146 1128096294 /nfs/dbraw/zinc/09/62/94/1128096294.db2.gz DDXSXPKRYZSSSY-UHFFFAOYSA-N 0 1 289.810 3.717 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc(Cl)c1)c1ccnnc1 ZINC000924542910 1128103124 /nfs/dbraw/zinc/10/31/24/1128103124.db2.gz OWZXUOZDRBMNTI-GHMZBOCLSA-N 0 1 261.756 3.542 20 0 CHADMN COc1ccnc([C@H](C)N[C@H](C)c2ccccc2)c1 ZINC000924543581 1128103340 /nfs/dbraw/zinc/10/33/40/1128103340.db2.gz TXZRZBYXSCCKHD-OLZOCXBDSA-N 0 1 256.349 3.502 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2ccnnc2)c(C)s1 ZINC000924602825 1128107451 /nfs/dbraw/zinc/10/74/51/1128107451.db2.gz OLLDMBTTYNNIIY-GHMZBOCLSA-N 0 1 261.394 3.567 20 0 CHADMN C[C@H](N[C@@H]1CCCc2occc21)c1cnn(C2CCC2)c1 ZINC000924642112 1128108868 /nfs/dbraw/zinc/10/88/68/1128108868.db2.gz APSHZQOJXAKODC-BLLLJJGKSA-N 0 1 285.391 3.929 20 0 CHADMN CCc1ccc(CN[C@H](C)c2cn3c(n2)CCCC3)s1 ZINC000924670459 1128109217 /nfs/dbraw/zinc/10/92/17/1128109217.db2.gz FZKSPXKXNWTJLZ-GFCCVEGCSA-N 0 1 289.448 3.694 20 0 CHADMN C[C@@H](NCC1(c2ccc(F)cc2)CCCC1)c1ncco1 ZINC000924687816 1128109867 /nfs/dbraw/zinc/10/98/67/1128109867.db2.gz KKUUCMDUAKSYJA-CYBMUJFWSA-N 0 1 288.366 3.976 20 0 CHADMN CCCCN(CCCC)Cc1nc(CC(C)C)no1 ZINC000492698119 1128110002 /nfs/dbraw/zinc/11/00/02/1128110002.db2.gz CFISYNUERWXQDH-UHFFFAOYSA-N 0 1 267.417 3.670 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)N[C@H](C)c1ccnnc1 ZINC000924691809 1128110172 /nfs/dbraw/zinc/11/01/72/1128110172.db2.gz HUHOONJOPVDQBP-KGLIPLIRSA-N 0 1 285.391 3.676 20 0 CHADMN C[C@H](N[C@H]1CCSc2ccc(F)cc21)c1ccnnc1 ZINC000924810204 1128113566 /nfs/dbraw/zinc/11/35/66/1128113566.db2.gz OQMBUUINJAFHQK-HZMBPMFUSA-N 0 1 289.379 3.503 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](C)N[C@@H](C)c1ccnnc1 ZINC000924773598 1128112315 /nfs/dbraw/zinc/11/23/15/1128112315.db2.gz PKADEXWGKQGODA-QWHCGFSZSA-N 0 1 281.359 3.943 20 0 CHADMN CC(C)c1ccc([C@H]2CCCN2CN2CCCC2=O)cc1 ZINC000152267631 1128112522 /nfs/dbraw/zinc/11/25/22/1128112522.db2.gz UZZBFCGWIXBZMQ-QGZVFWFLSA-N 0 1 286.419 3.527 20 0 CHADMN C[C@@H](NCc1cccc(COC(C)(C)C)c1)c1ccnnc1 ZINC000924903703 1128115911 /nfs/dbraw/zinc/11/59/11/1128115911.db2.gz KUPGCIQYQJBNQA-CQSZACIVSA-N 0 1 299.418 3.643 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)C1CCC1)c1cn(C)cn1 ZINC000924941427 1128117337 /nfs/dbraw/zinc/11/73/37/1128117337.db2.gz CIZADKOYOFZZRU-DYVFJYSZSA-N 0 1 269.392 3.612 20 0 CHADMN Cc1[nH]c2c(cc(C)cc2CN[C@H](C)c2cn(C)cn2)c1C ZINC000924959041 1128118149 /nfs/dbraw/zinc/11/81/49/1128118149.db2.gz JDHLYPLHZWYRPM-CQSZACIVSA-N 0 1 296.418 3.677 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccn1)c1ccnc(Cl)c1 ZINC000152380360 1128118637 /nfs/dbraw/zinc/11/86/37/1128118637.db2.gz ZBLKTXZIGNKQSU-QWRGUYRKSA-N 0 1 261.756 3.542 20 0 CHADMN C[C@@H](N[C@H](C)c1cc[nH]c(=O)c1)c1nc2ccccc2s1 ZINC000925074360 1128120647 /nfs/dbraw/zinc/12/06/47/1128120647.db2.gz VXESLHKEALLMMS-GHMZBOCLSA-N 0 1 299.399 3.809 20 0 CHADMN COc1ccccc1[C@@H](NCCCC1CC1)c1ccccn1 ZINC000925437466 1128129580 /nfs/dbraw/zinc/12/95/80/1128129580.db2.gz NXOQYECGYWEPIE-LJQANCHMSA-N 0 1 296.414 3.959 20 0 CHADMN C[C@@H](NCc1ccc(F)cc1)c1ccnn1-c1ccccc1 ZINC000467303805 1128127046 /nfs/dbraw/zinc/12/70/46/1128127046.db2.gz GFNQFTKLFMUCOJ-CQSZACIVSA-N 0 1 295.361 3.862 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2NC1CC(c2ccccc2)C1 ZINC000925366912 1128128748 /nfs/dbraw/zinc/12/87/48/1128128748.db2.gz LCWNCRAARYHACX-UYSNPLJNSA-N 0 1 282.387 3.896 20 0 CHADMN COc1ccnc([C@@H](C)N[C@H](C)c2ccc(F)c(C)c2)c1 ZINC000925505564 1128130681 /nfs/dbraw/zinc/13/06/81/1128130681.db2.gz QBYABVHVRFOTRS-CHWSQXEVSA-N 0 1 288.366 3.950 20 0 CHADMN CCc1cnc(CN2CC[C@@](C)(c3ccccc3)C2)s1 ZINC000542465720 1128138786 /nfs/dbraw/zinc/13/87/86/1128138786.db2.gz KQGPIIIPBFEPLQ-QGZVFWFLSA-N 0 1 286.444 3.869 20 0 CHADMN C[C@H](NCC1(c2ccccc2Cl)CC1)c1ncco1 ZINC000925663093 1128136246 /nfs/dbraw/zinc/13/62/46/1128136246.db2.gz PDIBICFTOQNZQR-NSHDSACASA-N 0 1 276.767 3.710 20 0 CHADMN COC[C@@H](N[C@@H](C)c1ccnn1C1CCC1)c1ccccc1 ZINC000925406212 1128143089 /nfs/dbraw/zinc/14/30/89/1128143089.db2.gz CMDBGWVDZUIFMJ-WMLDXEAASA-N 0 1 299.418 3.646 20 0 CHADMN CO[C@H](c1ccccc1)[C@H](C)N[C@H](C)c1nc(C)cs1 ZINC000493936314 1128152216 /nfs/dbraw/zinc/15/22/16/1128152216.db2.gz KNFICTAFIYLUPG-GUTXKFCHSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1cccc(C2(N[C@@H](C)Cc3cccc(F)c3)COC2)c1 ZINC001168460097 1128152933 /nfs/dbraw/zinc/15/29/33/1128152933.db2.gz QBIZCDQELMHCEL-HNNXBMFYSA-N 0 1 299.389 3.580 20 0 CHADMN COc1ccc(Cl)cc1CN1CCS[C@H](C)CC1 ZINC000494015849 1128154421 /nfs/dbraw/zinc/15/44/21/1128154421.db2.gz GXUKNZWJXNYIMX-LLVKDONJSA-N 0 1 285.840 3.676 20 0 CHADMN COc1cc([C@H](C)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)on1 ZINC000926115922 1128155725 /nfs/dbraw/zinc/15/57/25/1128155725.db2.gz JSLFXZYUFLCGHV-PRXAMGSTSA-N 0 1 286.375 3.576 20 0 CHADMN Cc1cccc2c1[C@H](NCc1nn(C)c3ccccc13)CC2 ZINC000926170504 1128157949 /nfs/dbraw/zinc/15/79/49/1128157949.db2.gz KIUVNWFEUCBIHW-MRXNPFEDSA-N 0 1 291.398 3.659 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2CCC[C@H]1C)c1cn(C)cn1 ZINC000926177460 1128159091 /nfs/dbraw/zinc/15/90/91/1128159091.db2.gz LHENWFBKBOOGMK-QWQRMKEZSA-N 0 1 283.419 3.784 20 0 CHADMN C[C@H]1OCC[C@]1(C)NCc1csc(C2CCCCC2)n1 ZINC000494206987 1128159853 /nfs/dbraw/zinc/15/98/53/1128159853.db2.gz AKCOGOCXKZOGLZ-WBMJQRKESA-N 0 1 294.464 3.848 20 0 CHADMN COc1ccccc1[C@@H](NC[C@@H]1C=CCC1)c1ccccn1 ZINC000926836805 1128196924 /nfs/dbraw/zinc/19/69/24/1128196924.db2.gz JWHOTIJHCQVGPV-DNVCBOLYSA-N 0 1 294.398 3.735 20 0 CHADMN Cc1ccc(SC[C@H](C)N[C@@H](C)c2cn(C)cn2)cc1 ZINC000926203880 1128160493 /nfs/dbraw/zinc/16/04/93/1128160493.db2.gz ZQPKBOIZYQFSHB-KBPBESRZSA-N 0 1 289.448 3.560 20 0 CHADMN CCSc1cc(CN[C@@H](C)c2ccns2)ccn1 ZINC000926226757 1128161587 /nfs/dbraw/zinc/16/15/87/1128161587.db2.gz NQQIMMRVYIORIR-JTQLQIEISA-N 0 1 279.434 3.501 20 0 CHADMN CCC[C@H](NCC(C)(C)OCC)c1ncccc1Cl ZINC000926233532 1128162542 /nfs/dbraw/zinc/16/25/42/1128162542.db2.gz XQTIXSOCTWGSRJ-ZDUSSCGKSA-N 0 1 284.831 3.981 20 0 CHADMN CC(C)[C@H](CN[C@H](C)c1ncco1)Cc1ccccc1 ZINC000926253564 1128162975 /nfs/dbraw/zinc/16/29/75/1128162975.db2.gz ZMHXABYGGMWKAE-ZBFHGGJFSA-N 0 1 272.392 3.840 20 0 CHADMN FC(F)(CN[C@H](C1CCC1)[C@H]1CCOC1)c1ccccc1 ZINC000926258030 1128163872 /nfs/dbraw/zinc/16/38/72/1128163872.db2.gz DZMBWANRGKIDJL-GOEBONIOSA-N 0 1 295.373 3.573 20 0 CHADMN CSC1CC(N[C@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000926308058 1128166595 /nfs/dbraw/zinc/16/65/95/1128166595.db2.gz DNBJAJSZWRPHME-JECWYVHBSA-N 0 1 296.383 3.707 20 0 CHADMN Cc1nonc1[C@H](C)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000926334994 1128167498 /nfs/dbraw/zinc/16/74/98/1128167498.db2.gz WMOCTFDISNRQBN-PSOPSSQASA-N 0 1 289.354 3.504 20 0 CHADMN C[C@H](N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ncco1 ZINC000926342069 1128168153 /nfs/dbraw/zinc/16/81/53/1128168153.db2.gz IWVHJANQIDMBRE-JKOKRWQUSA-N 0 1 276.767 3.925 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@@H](C)c1ccnnc1 ZINC000926362456 1128169257 /nfs/dbraw/zinc/16/92/57/1128169257.db2.gz WUSHNEQGUWLQQR-NWDGAFQWSA-N 0 1 273.405 3.610 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@H](C)c1ccnnc1 ZINC000926362457 1128169395 /nfs/dbraw/zinc/16/93/95/1128169395.db2.gz WUSHNEQGUWLQQR-VXGBXAGGSA-N 0 1 273.405 3.610 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccsc1)c1cccc(OC)n1 ZINC000926368512 1128170122 /nfs/dbraw/zinc/17/01/22/1128170122.db2.gz DBCOHFIFNCOBKJ-AAEUAGOBSA-N 0 1 276.405 3.954 20 0 CHADMN COC[C@H](N[C@@H](C)c1cnn(C2CCC2)c1)c1ccccc1 ZINC000925409951 1128171091 /nfs/dbraw/zinc/17/10/91/1128171091.db2.gz YQGDKVBBAVIXAM-KSSFIOAISA-N 0 1 299.418 3.646 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnnn1C)c1ccc(F)c2ccccc21 ZINC000926431555 1128171702 /nfs/dbraw/zinc/17/17/02/1128171702.db2.gz IOJDNGOGUYFGBV-NEPJUHHUSA-N 0 1 298.365 3.519 20 0 CHADMN Fc1cncc(CNCc2cccc(-c3cccnc3)c2)c1 ZINC000494392028 1128172216 /nfs/dbraw/zinc/17/22/16/1128172216.db2.gz JTOVRZJKXVDNSF-UHFFFAOYSA-N 0 1 293.345 3.573 20 0 CHADMN CCN(Cc1ccc(CF)cc1)Cc1ccccn1 ZINC000777600213 1128172745 /nfs/dbraw/zinc/17/27/45/1128172745.db2.gz NDIUMSXMXUDHFA-UHFFFAOYSA-N 0 1 258.340 3.573 20 0 CHADMN COc1ccccc1[C@@H](NCCCCF)c1ccccn1 ZINC000926462926 1128173390 /nfs/dbraw/zinc/17/33/90/1128173390.db2.gz GGFOOSDSXFIXQN-QGZVFWFLSA-N 0 1 288.366 3.519 20 0 CHADMN Cc1ccoc1CN[C@@H](C)c1cc2ccccc2[nH]1 ZINC000926470170 1128174097 /nfs/dbraw/zinc/17/40/97/1128174097.db2.gz HYZFWWUNENDESA-LBPRGKRZSA-N 0 1 254.333 3.920 20 0 CHADMN C[C@H](NC[C@H](c1ccccc1)C1CC1)c1ncco1 ZINC000926478336 1128174122 /nfs/dbraw/zinc/17/41/22/1128174122.db2.gz KAOJBHKGIKBKLS-SWLSCSKDSA-N 0 1 256.349 3.519 20 0 CHADMN C[C@@H](NCCc1cc2ccccc2s1)c1ncco1 ZINC000926485733 1128175006 /nfs/dbraw/zinc/17/50/06/1128175006.db2.gz NFEFZNPFKAXBRL-LLVKDONJSA-N 0 1 272.373 3.783 20 0 CHADMN C[C@H](NC[C@@H]1CCC[C@H]1c1ccccc1)c1ncco1 ZINC000926502510 1128176355 /nfs/dbraw/zinc/17/63/55/1128176355.db2.gz SRZNBNXAJHBHQX-BPUTZDHNSA-N 0 1 270.376 3.909 20 0 CHADMN COc1ccsc1[C@H](C)NCc1cscc1C ZINC000494525218 1128176648 /nfs/dbraw/zinc/17/66/48/1128176648.db2.gz NKYYGBGZNHEKQM-JTQLQIEISA-N 0 1 267.419 3.977 20 0 CHADMN Cc1c2ccccc2oc1[C@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000222482739 1128177404 /nfs/dbraw/zinc/17/74/04/1128177404.db2.gz DOZGAGUVLMPQIA-RYUDHWBXSA-N 0 1 269.348 3.876 20 0 CHADMN C[C@@H](c1ccccn1)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653903683 1128198130 /nfs/dbraw/zinc/19/81/30/1128198130.db2.gz GYBBZKMLJIHNBX-CABCVRRESA-N 0 1 274.408 3.566 20 0 CHADMN C[C@H]1C[C@@H](NC2CC(Sc3ccccc3)C2)c2nccn21 ZINC000926532308 1128179464 /nfs/dbraw/zinc/17/94/64/1128179464.db2.gz LCUKPEQPUSGPMZ-ADNDVJRGSA-N 0 1 299.443 3.802 20 0 CHADMN CCc1cc(C(=O)N2CCCC3(CCCCC3)CC2)n[nH]1 ZINC000190655568 1128180358 /nfs/dbraw/zinc/18/03/58/1128180358.db2.gz IQBFQGHUIVLORH-UHFFFAOYSA-N 0 1 289.423 3.549 20 0 CHADMN CCCC[C@@H](CC)CNC(=O)c1ccc(Cl)c(O)c1 ZINC001290687304 1128181388 /nfs/dbraw/zinc/18/13/88/1128181388.db2.gz MKRPLLRBOAUANC-LLVKDONJSA-N 0 1 283.799 3.992 20 0 CHADMN CCO[C@H]1C[C@@H](N[C@@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000926563574 1128181368 /nfs/dbraw/zinc/18/13/68/1128181368.db2.gz JKQWMJLIGCHGOE-SCTDSRPQSA-N 0 1 296.414 3.637 20 0 CHADMN C[C@H](NCc1n[nH]c(C(C)(C)C)n1)c1coc2ccccc12 ZINC000926569511 1128181549 /nfs/dbraw/zinc/18/15/49/1128181549.db2.gz FNWFCZMKRGKTTK-NSHDSACASA-N 0 1 298.390 3.699 20 0 CHADMN C[C@@H](N[C@@H]1CC12CC2)c1ncc(C(F)(F)F)cc1Cl ZINC000926617084 1128184016 /nfs/dbraw/zinc/18/40/16/1128184016.db2.gz WNAIENPKOWXOLA-GMSGAONNSA-N 0 1 290.716 3.957 20 0 CHADMN Cc1cccc2c1[C@H](NCc1noc3ccccc31)CC2 ZINC000926671731 1128186578 /nfs/dbraw/zinc/18/65/78/1128186578.db2.gz BWIIIYYUJHRZPV-OAHLLOKOSA-N 0 1 278.355 3.913 20 0 CHADMN CO[C@@H]1CCCC[C@H]1N[C@@H](C)c1c(F)cccc1F ZINC000225416822 1128187283 /nfs/dbraw/zinc/18/72/83/1128187283.db2.gz YBBDLSQCCXAWKO-ZLKJLUDKSA-N 0 1 269.335 3.573 20 0 CHADMN CC(C)[C@H](O)[C@H](N[C@@H](C)c1ccns1)c1ccccc1 ZINC000926715094 1128189616 /nfs/dbraw/zinc/18/96/16/1128189616.db2.gz KXBZGZTUTNDDDZ-MAZHCROVSA-N 0 1 290.432 3.552 20 0 CHADMN C[C@H](NC[C@]1(c2ccccc2)CC1(C)C)c1ncco1 ZINC000926734409 1128191113 /nfs/dbraw/zinc/19/11/13/1128191113.db2.gz OQSOWXAORWSRAK-GUYCJALGSA-N 0 1 270.376 3.693 20 0 CHADMN COCc1nc(CN2CCC[C@H]2CC2CCCC2)cs1 ZINC000653893051 1128191652 /nfs/dbraw/zinc/19/16/52/1128191652.db2.gz SOXFQDYRFRKTID-HNNXBMFYSA-N 0 1 294.464 3.834 20 0 CHADMN C[C@H](N[C@H]1CCCn2nccc21)c1coc2ccccc12 ZINC000926815154 1128196124 /nfs/dbraw/zinc/19/61/24/1128196124.db2.gz BCVBBMNRAVMMCD-WFASDCNBSA-N 0 1 281.359 3.815 20 0 CHADMN COC(=O)c1ccc([C@H](C)N2Cc3ccccc3[C@H](C)C2)o1 ZINC000914787653 1128245031 /nfs/dbraw/zinc/24/50/31/1128245031.db2.gz AWMKQPAOVCNWKA-OLZOCXBDSA-N 0 1 299.370 3.747 20 0 CHADMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)c1cncc(F)c1 ZINC000777700812 1128247601 /nfs/dbraw/zinc/24/76/01/1128247601.db2.gz JETVJDFNUZEIIH-NSHDSACASA-N 0 1 291.345 3.595 20 0 CHADMN Cl/C=C\CN1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000914821476 1128248277 /nfs/dbraw/zinc/24/82/77/1128248277.db2.gz SSUHJPHIURZBKG-ZUNOPDERSA-N 0 1 286.202 3.936 20 0 CHADMN FCc1ccc(C[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC000777714665 1128253072 /nfs/dbraw/zinc/25/30/72/1128253072.db2.gz YULIWJJQCDBMLU-UHFFFAOYSA-N 0 1 270.351 3.716 20 0 CHADMN FCc1ccc(CN(Cc2ccncc2)C2CC2)cc1 ZINC000777714665 1128253075 /nfs/dbraw/zinc/25/30/75/1128253075.db2.gz YULIWJJQCDBMLU-UHFFFAOYSA-N 0 1 270.351 3.716 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2[nH]c(C)nc2C)cc1 ZINC000929135309 1128260455 /nfs/dbraw/zinc/26/04/55/1128260455.db2.gz GFOIRSZRBOJJAY-GOSISDBHSA-N 0 1 299.418 3.762 20 0 CHADMN Cc1cc([C@H]2CCCN2C[C@H]2CCCC3(CCC3)O2)no1 ZINC000929184564 1128262593 /nfs/dbraw/zinc/26/25/93/1128262593.db2.gz BYHNRIFWJAGBSR-GDBMZVCRSA-N 0 1 290.407 3.612 20 0 CHADMN C(c1nc2c(s1)CCCC2)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000648762082 1128262847 /nfs/dbraw/zinc/26/28/47/1128262847.db2.gz MFWRMXNLHHNAMR-GUYCJALGSA-N 0 1 288.460 3.642 20 0 CHADMN CCc1ncc(CN2CCC[C@H]2c2ccc(OC)cc2)o1 ZINC000929217815 1128264804 /nfs/dbraw/zinc/26/48/04/1128264804.db2.gz FGPZIWWPVDZJST-INIZCTEOSA-N 0 1 286.375 3.583 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnn(C)n1)c1cccc2ccccc21 ZINC000926877291 1128199991 /nfs/dbraw/zinc/19/99/91/1128199991.db2.gz MVVGEZSPYRHEFW-SUMWQHHRSA-N 0 1 294.402 3.770 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2nccnc2C)cc1C ZINC000926902812 1128202016 /nfs/dbraw/zinc/20/20/16/1128202016.db2.gz LOQRHMLBDXIUDA-GXTWGEPZSA-N 0 1 285.391 3.514 20 0 CHADMN C[C@@H](NCCc1cnc2ccccc2c1)c1cscn1 ZINC000926919315 1128203066 /nfs/dbraw/zinc/20/30/66/1128203066.db2.gz MFZNOKZVQBPAKK-GFCCVEGCSA-N 0 1 283.400 3.585 20 0 CHADMN Cc1c([C@H](C)NCc2ncc(C)cc2C)cnn1C(C)C ZINC000926961592 1128206770 /nfs/dbraw/zinc/20/67/70/1128206770.db2.gz WIZIAEOLPDGMFF-AWEZNQCLSA-N 0 1 286.423 3.635 20 0 CHADMN c1cn(Cc2ccccc2)c(CN2CCCCCCC2)n1 ZINC000914572788 1128210596 /nfs/dbraw/zinc/21/05/96/1128210596.db2.gz BJZFMABDVXZHKG-UHFFFAOYSA-N 0 1 283.419 3.698 20 0 CHADMN C[C@@H](N[C@H]1CCCc2cccnc21)c1ccc2c(c1)COC2 ZINC000927060851 1128212120 /nfs/dbraw/zinc/21/21/20/1128212120.db2.gz CZRKLBIUEMVPRS-ACJLOTCBSA-N 0 1 294.398 3.840 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2cc(C)no2)cc1 ZINC000053402784 1128212240 /nfs/dbraw/zinc/21/22/40/1128212240.db2.gz QTSKKEQFBRBNGM-QGZVFWFLSA-N 0 1 286.375 3.719 20 0 CHADMN COc1ccc([C@@H](N[C@@H](C)c2cnccn2)C2CCC2)cc1 ZINC000927065517 1128214229 /nfs/dbraw/zinc/21/42/29/1128214229.db2.gz FKRVOBYKGFPEKU-UGSOOPFHSA-N 0 1 297.402 3.677 20 0 CHADMN C[C@H](Cc1cccc(F)c1)N1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001168474433 1128215526 /nfs/dbraw/zinc/21/55/26/1128215526.db2.gz LLODNKNBRWSDIE-COXVUDFISA-N 0 1 289.394 3.590 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1cccc2c1OCC2 ZINC000927089570 1128216807 /nfs/dbraw/zinc/21/68/07/1128216807.db2.gz NPFIHLMDKYUMER-CQSZACIVSA-N 0 1 297.398 3.789 20 0 CHADMN Cc1c([C@H](C)NCc2cccc3c2OCC3)cnn1C(C)C ZINC000927091488 1128216813 /nfs/dbraw/zinc/21/68/13/1128216813.db2.gz PWDGMEHVRDDHPP-ZDUSSCGKSA-N 0 1 299.418 3.558 20 0 CHADMN CC[C@@H](NCc1cc(C2CC2)nn1C)c1cccc(F)c1 ZINC000927101281 1128217330 /nfs/dbraw/zinc/21/73/30/1128217330.db2.gz LERNADZSZKCJLO-MRXNPFEDSA-N 0 1 287.382 3.678 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cc(C3CC3)n(C)n1)CCC2 ZINC000927112336 1128218482 /nfs/dbraw/zinc/21/84/82/1128218482.db2.gz MMNVIQPHOCRANN-GOSISDBHSA-N 0 1 295.430 3.773 20 0 CHADMN CCc1onc(C)c1CN[C@@H](CC)c1ccccc1 ZINC000927136747 1128221344 /nfs/dbraw/zinc/22/13/44/1128221344.db2.gz FDVIECHKBGNINN-HNNXBMFYSA-N 0 1 258.365 3.786 20 0 CHADMN CCc1onc(C)c1CN[C@H](C)c1ccc(F)cc1C ZINC000927134356 1128221464 /nfs/dbraw/zinc/22/14/64/1128221464.db2.gz IBZYVTYEMINDFN-LLVKDONJSA-N 0 1 276.355 3.844 20 0 CHADMN CCc1onc(C)c1CN[C@H](c1cccnc1)C1CCC1 ZINC000927134100 1128221632 /nfs/dbraw/zinc/22/16/32/1128221632.db2.gz HEXUOLYNAUHRFX-KRWDZBQOSA-N 0 1 285.391 3.571 20 0 CHADMN CCOc1ccc(CN2CCS[C@@H](CC)C2)cc1F ZINC000494992647 1128222202 /nfs/dbraw/zinc/22/22/02/1128222202.db2.gz HBORWIOUFQXKFA-ZDUSSCGKSA-N 0 1 283.412 3.552 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929270534 1128266781 /nfs/dbraw/zinc/26/67/81/1128266781.db2.gz OSMCJGDROYARKY-DTZQCDIJSA-N 0 1 295.373 3.535 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2c3ccccc3CC[C@H]2O)c(C)o1 ZINC000927142235 1128222437 /nfs/dbraw/zinc/22/24/37/1128222437.db2.gz ZTSKXWOJODFBRL-RZAIGCCYSA-N 0 1 285.387 3.595 20 0 CHADMN CCc1onc(C)c1CN[C@@H]1c2ccccc2C[C@H]1C ZINC000927141947 1128222548 /nfs/dbraw/zinc/22/25/48/1128222548.db2.gz ZYYFRFOEIVEQHU-DIFFPNOSSA-N 0 1 270.376 3.569 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)N(Cc2n[nH]c(C(C)(C)C)n2)C1 ZINC000433189999 1128225657 /nfs/dbraw/zinc/22/56/57/1128225657.db2.gz GLTVBMMYABHNFU-UKRRQHHQSA-N 0 1 298.434 3.685 20 0 CHADMN CCOc1c(Cl)cccc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000495064002 1128226406 /nfs/dbraw/zinc/22/64/06/1128226406.db2.gz HZPXJYNRFVRGGF-GFCCVEGCSA-N 0 1 285.840 3.676 20 0 CHADMN CCOc1ccccc1C[N@@H+](C)C/C=C/c1ccncc1 ZINC000495060350 1128226768 /nfs/dbraw/zinc/22/67/68/1128226768.db2.gz RAUXIYRWDQUYOK-VOTSOKGWSA-N 0 1 282.387 3.626 20 0 CHADMN CCOc1ccccc1CN(C)C/C=C/c1ccncc1 ZINC000495060350 1128226772 /nfs/dbraw/zinc/22/67/72/1128226772.db2.gz RAUXIYRWDQUYOK-VOTSOKGWSA-N 0 1 282.387 3.626 20 0 CHADMN Cc1ccnc(N[C@@H](c2ccccn2)C(F)(F)F)c1C ZINC001168476248 1128226778 /nfs/dbraw/zinc/22/67/78/1128226778.db2.gz CSJARGMOZBCTLY-LBPRGKRZSA-N 0 1 281.281 3.809 20 0 CHADMN CCN(Cc1[nH]c(C)nc1C)Cc1cccc(Cl)c1 ZINC000929279741 1128267384 /nfs/dbraw/zinc/26/73/84/1128267384.db2.gz OZJFCLYBPBXMME-UHFFFAOYSA-N 0 1 277.799 3.702 20 0 CHADMN CCO[C@@H]1C[C@@H](NCc2csc(CC)n2)C12CCCC2 ZINC000336890645 1129226882 /nfs/dbraw/zinc/22/68/82/1129226882.db2.gz NPPUTBYFSDITMO-ZIAGYGMSSA-N 0 1 294.464 3.533 20 0 CHADMN CCC(CC)[C@@H](C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000761820950 1128236065 /nfs/dbraw/zinc/23/60/65/1128236065.db2.gz LQUGNJLBSUWDMU-GFCCVEGCSA-N 0 1 294.414 3.898 20 0 CHADMN CCN(C(=O)c1cc(-c2ccco2)n[nH]1)c1ccc(C)cc1 ZINC000914758801 1128240326 /nfs/dbraw/zinc/24/03/26/1128240326.db2.gz PRGNRZXJWFNZTE-UHFFFAOYSA-N 0 1 295.342 3.645 20 0 CHADMN Cc1occc1CN(C)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929336577 1128270120 /nfs/dbraw/zinc/27/01/20/1128270120.db2.gz YJWWDPGIJFSMTF-CHWSQXEVSA-N 0 1 291.313 3.520 20 0 CHADMN CCCCSCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000762115230 1128270651 /nfs/dbraw/zinc/27/06/51/1128270651.db2.gz GBCCLJAIUYYCHZ-UHFFFAOYSA-N 0 1 288.376 3.646 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1coc(C(C)(C)C)n1 ZINC000929347704 1128271187 /nfs/dbraw/zinc/27/11/87/1128271187.db2.gz KXUPUQCMXOUQMK-ZDUSSCGKSA-N 0 1 250.386 3.593 20 0 CHADMN Cc1nnsc1[C@@H](C)N1CCC(C(C)(C)C)CC1 ZINC000929658179 1128280809 /nfs/dbraw/zinc/28/08/09/1128280809.db2.gz XALWSRDRGKEMRA-LLVKDONJSA-N 0 1 267.442 3.666 20 0 CHADMN C[C@@H](c1ncccn1)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000929716381 1128283444 /nfs/dbraw/zinc/28/34/44/1128283444.db2.gz YVFNLAKWWZSPPY-HLLBOEOZSA-N 0 1 281.403 3.663 20 0 CHADMN CCc1onc(C)c1CN1C[C@H](C)[C@H]1c1ccccc1 ZINC000929787527 1128287858 /nfs/dbraw/zinc/28/78/58/1128287858.db2.gz MORIDXYZWDEESU-SJCJKPOMSA-N 0 1 270.376 3.738 20 0 CHADMN Cc1nnsc1[C@@H](C)N1CCSC2(CCCCC2)C1 ZINC000929807645 1128288648 /nfs/dbraw/zinc/28/86/48/1128288648.db2.gz CJXUPVSDZXXXAR-GFCCVEGCSA-N 0 1 297.493 3.659 20 0 CHADMN Cc1nc(C)c(CN2C[C@@H](C)C[C@H]2c2ccccc2F)[nH]1 ZINC000929724612 1128284275 /nfs/dbraw/zinc/28/42/75/1128284275.db2.gz CIIADEHXDKHDPS-GTNSWQLSSA-N 0 1 287.382 3.749 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2cc(C)nnc2C)o1 ZINC000929760648 1128285078 /nfs/dbraw/zinc/28/50/78/1128285078.db2.gz VHPBDBKJRGNOCF-PXAZEXFGSA-N 0 1 299.418 3.968 20 0 CHADMN CCc1onc(C)c1CN1CCCC[C@H]1c1cccn1C ZINC000929766277 1128286107 /nfs/dbraw/zinc/28/61/07/1128286107.db2.gz KRBVKJFLNMROKV-INIZCTEOSA-N 0 1 287.407 3.611 20 0 CHADMN CCN(C(=O)c1cccc2[nH]ncc21)c1ccc(C)cc1 ZINC000915193426 1128290336 /nfs/dbraw/zinc/29/03/36/1128290336.db2.gz YTOFBIOOMBVVHP-UHFFFAOYSA-N 0 1 279.343 3.538 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C=C(C)c2ccccc2)c1 ZINC000777837458 1128290531 /nfs/dbraw/zinc/29/05/31/1128290531.db2.gz XRTWDQUOKQYIIC-BENRWUELSA-N 0 1 295.338 3.637 20 0 CHADMN FC(F)C1CCN(Cc2cnc(-c3ccccc3)o2)CC1 ZINC000929845675 1128290619 /nfs/dbraw/zinc/29/06/19/1128290619.db2.gz GNZYOYOGIRIBCB-UHFFFAOYSA-N 0 1 292.329 3.819 20 0 CHADMN Cc1nnsc1[C@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000929861975 1128291020 /nfs/dbraw/zinc/29/10/20/1128291020.db2.gz PXJUOVFZMPMQMG-BDAKNGLRSA-N 0 1 281.812 3.912 20 0 CHADMN Cc1cc(C)nc(CNC2(c3ccccc3)CCC2)c1 ZINC000929865264 1128291438 /nfs/dbraw/zinc/29/14/38/1128291438.db2.gz NKLDOQQHOPFQST-UHFFFAOYSA-N 0 1 266.388 3.867 20 0 CHADMN Cc1nc(C)c(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)[nH]1 ZINC000929890178 1128291797 /nfs/dbraw/zinc/29/17/97/1128291797.db2.gz QMQSDGOOYJHFKE-GOSISDBHSA-N 0 1 281.403 3.678 20 0 CHADMN CC(C)[C@H](C)N(C)CN1c2cccc3cccc(c23)C1=O ZINC000915209598 1128291975 /nfs/dbraw/zinc/29/19/75/1128291975.db2.gz PHZVVNMMKKFWPB-ZDUSSCGKSA-N 0 1 282.387 3.734 20 0 CHADMN Cc1cn(C)nc1CN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000929893482 1128293040 /nfs/dbraw/zinc/29/30/40/1128293040.db2.gz PXOMRERVIPLRHQ-MRXNPFEDSA-N 0 1 289.398 3.745 20 0 CHADMN CC(F)(F)CCC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000930088187 1128300325 /nfs/dbraw/zinc/30/03/25/1128300325.db2.gz VWPSHKWYZMBLHN-KRWDZBQOSA-N 0 1 295.373 3.596 20 0 CHADMN CC(F)(F)CCCN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000930088187 1128300330 /nfs/dbraw/zinc/30/03/30/1128300330.db2.gz VWPSHKWYZMBLHN-KRWDZBQOSA-N 0 1 295.373 3.596 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CCC(c2ccccn2)CC1 ZINC000930084154 1128300487 /nfs/dbraw/zinc/30/04/87/1128300487.db2.gz VKXHPARAOITGLJ-CYBMUJFWSA-N 0 1 285.366 3.556 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1Cn1cccnc1=S ZINC000193429642 1128296482 /nfs/dbraw/zinc/29/64/82/1128296482.db2.gz ZUYIXGGKOYJPOD-HNNXBMFYSA-N 0 1 285.416 3.716 20 0 CHADMN CCCCCC[C@H](O)CSc1nc(C(C)(C)C)n[nH]1 ZINC000762423517 1128298665 /nfs/dbraw/zinc/29/86/65/1128298665.db2.gz IJHNHUMXYCNBKW-NSHDSACASA-N 0 1 285.457 3.526 20 0 CHADMN CCCCCC[C@H](O)CSc1n[nH]c(C(C)(C)C)n1 ZINC000762423517 1128298668 /nfs/dbraw/zinc/29/86/68/1128298668.db2.gz IJHNHUMXYCNBKW-NSHDSACASA-N 0 1 285.457 3.526 20 0 CHADMN CCc1cc(CN[C@H]2CCCc3ccc(Cl)cc32)[nH]n1 ZINC000762477039 1128302348 /nfs/dbraw/zinc/30/23/48/1128302348.db2.gz STGLQLVRWHEDHZ-INIZCTEOSA-N 0 1 289.810 3.793 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccccc2OC(C)C)c(C)nn1 ZINC000930198261 1128306593 /nfs/dbraw/zinc/30/65/93/1128306593.db2.gz IYFSUYMKZRRYKU-OAHLLOKOSA-N 0 1 299.418 3.731 20 0 CHADMN Cc1cn(C)nc1CN[C@H](CC1CCC1)c1ccccc1 ZINC000930243993 1128310307 /nfs/dbraw/zinc/31/03/07/1128310307.db2.gz DFWWLBSLWHBRRD-QGZVFWFLSA-N 0 1 283.419 3.750 20 0 CHADMN C[C@H](NCC1(C)CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000762640828 1128312303 /nfs/dbraw/zinc/31/23/03/1128312303.db2.gz KMMTUMWISFPEKP-JTQLQIEISA-N 0 1 291.782 3.841 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1[nH]c(C)nc1C ZINC000930334229 1128314685 /nfs/dbraw/zinc/31/46/85/1128314685.db2.gz YKXGAQBVTSIXNL-SNVBAGLBSA-N 0 1 275.421 3.599 20 0 CHADMN Cc1nnsc1[C@@H](C)N1CCC=C(c2ccccc2)C1 ZINC000930376525 1128316119 /nfs/dbraw/zinc/31/61/19/1128316119.db2.gz OTWQPDLCMYFKSR-CYBMUJFWSA-N 0 1 285.416 3.697 20 0 CHADMN O=C(OCCCCC(F)(F)F)c1ccc(O)c(Cl)c1 ZINC000762823839 1128319155 /nfs/dbraw/zinc/31/91/55/1128319155.db2.gz NVGLVTNOUVFMGK-UHFFFAOYSA-N 0 1 296.672 3.935 20 0 CHADMN Fc1cccc(CN[C@H]2CCc3c2cc(F)cc3F)c1 ZINC000154569385 1128320291 /nfs/dbraw/zinc/32/02/91/1128320291.db2.gz BIBSBCRWBVVNRL-INIZCTEOSA-N 0 1 277.289 3.881 20 0 CHADMN Cc1cnc(F)c(CN(C)CCc2cccc(Cl)c2)c1 ZINC001235341314 1128324916 /nfs/dbraw/zinc/32/49/16/1128324916.db2.gz ZVBPNLCYWICYDG-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN CCc1onc(C)c1CNC(C)(C)c1ccccc1C ZINC000930577939 1128326146 /nfs/dbraw/zinc/32/61/46/1128326146.db2.gz GBWZVTVIGXNYOL-UHFFFAOYSA-N 0 1 272.392 3.879 20 0 CHADMN CC[C@@H](C)[C@@H](C)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000930632263 1128328071 /nfs/dbraw/zinc/32/80/71/1128328071.db2.gz ZSQNQOMCHOEWPN-RKDXNWHRSA-N 0 1 295.333 3.665 20 0 CHADMN CCc1ncc(CNC2(c3cccc(C)c3)CCC2)o1 ZINC000930818790 1128336267 /nfs/dbraw/zinc/33/62/67/1128336267.db2.gz OKBAZGDVPDMNCY-UHFFFAOYSA-N 0 1 270.376 3.714 20 0 CHADMN COC/C(C)=C/CNC1(c2ccccc2Cl)CC1 ZINC000930815605 1128336626 /nfs/dbraw/zinc/33/66/26/1128336626.db2.gz VKBXJRPBTOTKEE-KPKJPENVSA-N 0 1 265.784 3.511 20 0 CHADMN Fc1cccc(F)c1[C@H]1CCC[N@H+]1CC1CCC1 ZINC001202775394 1128337390 /nfs/dbraw/zinc/33/73/90/1128337390.db2.gz CSOVROAOMLUEOT-CQSZACIVSA-N 0 1 251.320 3.902 20 0 CHADMN Cc1nc(C)c(C[N@H+](C)[C@H](C)CSc2ccccc2)[nH]1 ZINC000930848203 1128337609 /nfs/dbraw/zinc/33/76/09/1128337609.db2.gz YWGKJXOUWIUTCT-GFCCVEGCSA-N 0 1 289.448 3.639 20 0 CHADMN Cc1nc(C)c(CN(C)[C@H](C)CSc2ccccc2)[nH]1 ZINC000930848203 1128337612 /nfs/dbraw/zinc/33/76/12/1128337612.db2.gz YWGKJXOUWIUTCT-GFCCVEGCSA-N 0 1 289.448 3.639 20 0 CHADMN Cc1ccnc(CN2[C@H](C)CCC[C@H]2C)c1Cl ZINC001235575582 1128341670 /nfs/dbraw/zinc/34/16/70/1128341670.db2.gz QKIIXFLJLCPOOR-VXGBXAGGSA-N 0 1 252.789 3.806 20 0 CHADMN Cc1ccnc(CN(C)CC2CC(F)(F)C2)c1Cl ZINC001235585881 1128342383 /nfs/dbraw/zinc/34/23/83/1128342383.db2.gz OZCLQZUVUCPDAJ-UHFFFAOYSA-N 0 1 274.742 3.521 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1coc(C(C)(C)C)n1 ZINC000931067509 1128346673 /nfs/dbraw/zinc/34/66/73/1128346673.db2.gz VHFUSTDBTLFNFH-QXMXGUDHSA-N 0 1 262.397 3.735 20 0 CHADMN CCc1nc(CNC[C@@H]2CCC3(CCCCC3)O2)cs1 ZINC000328129883 1128351778 /nfs/dbraw/zinc/35/17/78/1128351778.db2.gz NXTRFBNTZSWSRY-AWEZNQCLSA-N 0 1 294.464 3.677 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cnn(C(C)(C)C)c1 ZINC001203520273 1128352016 /nfs/dbraw/zinc/35/20/16/1128352016.db2.gz PDHBOLDTZNGALN-UHFFFAOYSA-N 0 1 296.374 3.939 20 0 CHADMN Cc1cc(C)cc(NC(=O)[C@@H](C)N(C)Cc2ccccc2)c1 ZINC000561803303 1128353751 /nfs/dbraw/zinc/35/37/51/1128353751.db2.gz ALCAKUCVRCWRJM-MRXNPFEDSA-N 0 1 296.414 3.762 20 0 CHADMN CC(C)Oc1ccc(NC(=O)c2cccc3nc[nH]c32)cc1 ZINC000074732466 1128355744 /nfs/dbraw/zinc/35/57/44/1128355744.db2.gz QZIOJHBQTYEEPL-UHFFFAOYSA-N 0 1 295.342 3.602 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cncc(C)c1 ZINC001203520775 1128357567 /nfs/dbraw/zinc/35/75/67/1128357567.db2.gz WSQPOKDNFKQZMF-UHFFFAOYSA-N 0 1 265.316 3.690 20 0 CHADMN CC1CC(CN2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2)C1 ZINC000931387968 1128359028 /nfs/dbraw/zinc/35/90/28/1128359028.db2.gz NRXQUVWQIUPFFT-PWGQDJSOSA-N 0 1 299.393 3.542 20 0 CHADMN CCc1ncc(CN[C@@](C)(CC)c2ccc(F)cc2)o1 ZINC000931379564 1128359409 /nfs/dbraw/zinc/35/94/09/1128359409.db2.gz AFXWBKJSQWKLFP-INIZCTEOSA-N 0 1 276.355 3.791 20 0 CHADMN Cc1nc(C)c([C@H](C)NCc2cnc(C)cc2C)s1 ZINC000397477584 1128359522 /nfs/dbraw/zinc/35/95/22/1128359522.db2.gz BFPYUZGOKZQZML-NSHDSACASA-N 0 1 275.421 3.623 20 0 CHADMN CC(C)C[C@H](C)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000561893606 1128360654 /nfs/dbraw/zinc/36/06/54/1128360654.db2.gz PJPIILCJZPCBDH-JTQLQIEISA-N 0 1 270.336 3.763 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1ccc(F)nc1C ZINC001235817422 1128360773 /nfs/dbraw/zinc/36/07/73/1128360773.db2.gz HPZZEDVQHJDYBT-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN CC[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)C(C)C ZINC000194092899 1128363589 /nfs/dbraw/zinc/36/35/89/1128363589.db2.gz PPDJDYNSNLSXND-UHFFFAOYSA-N 0 1 262.328 3.711 20 0 CHADMN CCN(Cc1coc(-c2ccc(F)cc2)n1)C(C)C ZINC000194092899 1128363592 /nfs/dbraw/zinc/36/35/92/1128363592.db2.gz PPDJDYNSNLSXND-UHFFFAOYSA-N 0 1 262.328 3.711 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000106860126 1128365159 /nfs/dbraw/zinc/36/51/59/1128365159.db2.gz WSPUQMBUYRUCLJ-JTQLQIEISA-N 0 1 291.782 3.620 20 0 CHADMN COc1cccc([C@H]2CCCN2Cc2c(C)noc2C)c1 ZINC000054978881 1128365446 /nfs/dbraw/zinc/36/54/46/1128365446.db2.gz GYHBXRODMFFIAQ-QGZVFWFLSA-N 0 1 286.375 3.637 20 0 CHADMN CC[C@H](C)NCc1c(F)c(F)cc(Br)c1F ZINC001257427876 1128367573 /nfs/dbraw/zinc/36/75/73/1128367573.db2.gz BFZZQGICZKNPJK-LURJTMIESA-N 0 1 296.130 3.755 20 0 CHADMN O=C(CCc1cccc(Cl)c1)Nc1ccc2nc[nH]c2c1 ZINC000243598188 1128368241 /nfs/dbraw/zinc/36/82/41/1128368241.db2.gz OTRQHOXRHFVDHV-UHFFFAOYSA-N 0 1 299.761 3.788 20 0 CHADMN CC(C)CCCCCC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000763191555 1128369976 /nfs/dbraw/zinc/36/99/76/1128369976.db2.gz COEKBEZPFSZZJE-CYBMUJFWSA-N 0 1 294.443 3.712 20 0 CHADMN C[C@@]1(C2CCCCC2)CCN1Cc1ccc(Cl)nn1 ZINC000931572143 1128370093 /nfs/dbraw/zinc/37/00/93/1128370093.db2.gz XYWDIOUPRHKRTL-HNNXBMFYSA-N 0 1 279.815 3.675 20 0 CHADMN CN(CC(C)(C)C)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000931609802 1128372693 /nfs/dbraw/zinc/37/26/93/1128372693.db2.gz IEEROMDGRLVEAF-UHFFFAOYSA-N 0 1 295.333 3.619 20 0 CHADMN CC[N@@H+](Cc1cc(C(C)(C)C)on1)C1CCCC1 ZINC000562045542 1128373108 /nfs/dbraw/zinc/37/31/08/1128373108.db2.gz BDSVJABLQWMRKP-UHFFFAOYSA-N 0 1 250.386 3.737 20 0 CHADMN CCN(Cc1cc(C(C)(C)C)on1)C1CCCC1 ZINC000562045542 1128373110 /nfs/dbraw/zinc/37/31/10/1128373110.db2.gz BDSVJABLQWMRKP-UHFFFAOYSA-N 0 1 250.386 3.737 20 0 CHADMN CCCC[C@H](C)N(C)Cc1cc(-c2ccco2)on1 ZINC000562060313 1128375055 /nfs/dbraw/zinc/37/50/55/1128375055.db2.gz QLMKWJOBXRQHFG-LBPRGKRZSA-N 0 1 262.353 3.945 20 0 CHADMN Cc1nc(C2(NC[C@H](C)C(C)(C)C)CCCCC2)no1 ZINC000670266830 1128378428 /nfs/dbraw/zinc/37/84/28/1128378428.db2.gz CHCQFAFVCSIFAK-LBPRGKRZSA-N 0 1 279.428 3.809 20 0 CHADMN Cc1ccccc1-c1nc(CNC[C@@H](C)C(C)(C)C)no1 ZINC000670269280 1128380891 /nfs/dbraw/zinc/38/08/91/1128380891.db2.gz MOGSTVFBVVXIBS-CYBMUJFWSA-N 0 1 287.407 3.817 20 0 CHADMN C[C@@H](NC[C@@H](C)C(C)(C)C)c1nc(C(C)(C)C)no1 ZINC000670269957 1128380923 /nfs/dbraw/zinc/38/09/23/1128380923.db2.gz FLKVVIRQKFCZMI-GHMZBOCLSA-N 0 1 267.417 3.700 20 0 CHADMN Cc1cn(C)nc1CN[C@H]1CCc2cccc3cccc1c32 ZINC000931807133 1128381488 /nfs/dbraw/zinc/38/14/88/1128381488.db2.gz UVBPBCKOHANFEZ-KRWDZBQOSA-N 0 1 291.398 3.659 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1cnccc1C ZINC000282133009 1128381694 /nfs/dbraw/zinc/38/16/94/1128381694.db2.gz VPXWROWDWQBGLJ-CYBMUJFWSA-N 0 1 272.417 3.963 20 0 CHADMN Cc1ccoc1CN1CC[C@](F)(c2ccccc2)C1 ZINC000670272185 1128382505 /nfs/dbraw/zinc/38/25/05/1128382505.db2.gz VIONGLPKVYWBEU-MRXNPFEDSA-N 0 1 259.324 3.659 20 0 CHADMN Cc1nc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)sc1C ZINC000931922692 1128387923 /nfs/dbraw/zinc/38/79/23/1128387923.db2.gz NHHUHNDEAZNGSY-DOTOQJQBSA-N 0 1 284.428 3.533 20 0 CHADMN C[C@@H](c1ccccn1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931919294 1128388012 /nfs/dbraw/zinc/38/80/12/1128388012.db2.gz RPODQOFXWPRKMI-JQWIXIFHSA-N 0 1 288.288 3.509 20 0 CHADMN Clc1ccc(CN2CCC3(C2)CCCCC3)nc1 ZINC000562263843 1128392016 /nfs/dbraw/zinc/39/20/16/1128392016.db2.gz ZTINVMSKVPIRAN-UHFFFAOYSA-N 0 1 264.800 3.891 20 0 CHADMN C[C@H](C[C@H]1CCOC1)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000798936961 1128392130 /nfs/dbraw/zinc/39/21/30/1128392130.db2.gz IXSVONZGPLSFRC-CHWSQXEVSA-N 0 1 296.842 3.629 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc3cnn(C)c3c2)oc1C ZINC000562280742 1128392900 /nfs/dbraw/zinc/39/29/00/1128392900.db2.gz SPXDVIYXXDEWBO-GFCCVEGCSA-N 0 1 283.375 3.634 20 0 CHADMN Cc1ncc(CN[C@H](CC(C)C)c2ccccc2)o1 ZINC000398072724 1128393540 /nfs/dbraw/zinc/39/35/40/1128393540.db2.gz OJUUDPJHKHREGS-MRXNPFEDSA-N 0 1 258.365 3.860 20 0 CHADMN Cc1ccc(OC(F)F)c(CN2[C@H](C)C[C@@H]2C)c1 ZINC000562306317 1128393970 /nfs/dbraw/zinc/39/39/70/1128393970.db2.gz AIRZNLZXPCTQIH-PHIMTYICSA-N 0 1 255.308 3.579 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCn2nc(C(C)(C)C)cc2C1 ZINC000932615758 1128417089 /nfs/dbraw/zinc/41/70/89/1128417089.db2.gz SYJCPEHLNRSGFL-LBPRGKRZSA-N 0 1 299.409 3.678 20 0 CHADMN CC(C)(C)c1n[nH]c(SCC(=O)C2CCCCCC2)n1 ZINC000562407828 1128400327 /nfs/dbraw/zinc/40/03/27/1128400327.db2.gz GJUSAPZBRUGDME-UHFFFAOYSA-N 0 1 295.452 3.734 20 0 CHADMN CC(C)(C)c1nc(SCC(=O)C2CCCCCC2)n[nH]1 ZINC000562407828 1128400329 /nfs/dbraw/zinc/40/03/29/1128400329.db2.gz GJUSAPZBRUGDME-UHFFFAOYSA-N 0 1 295.452 3.734 20 0 CHADMN Cc1nsc(C)c1CN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000562442146 1128402125 /nfs/dbraw/zinc/40/21/25/1128402125.db2.gz KMEVXRZECNFWRZ-BDJLRTHQSA-N 0 1 272.417 3.953 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N1CCO[C@@H](C)CC1 ZINC000932334111 1128404853 /nfs/dbraw/zinc/40/48/53/1128404853.db2.gz DLEXWSFARORGJV-NWDGAFQWSA-N 0 1 253.773 3.512 20 0 CHADMN Cc1cccn2c(CN(C)Cc3ccc(F)c(C)c3)cnc12 ZINC000562489080 1128405313 /nfs/dbraw/zinc/40/53/13/1128405313.db2.gz YIKJWOYACAFYNB-UHFFFAOYSA-N 0 1 297.377 3.722 20 0 CHADMN FCc1ccccc1CN[C@@H](c1ccccn1)C1CC1 ZINC000932381619 1128406438 /nfs/dbraw/zinc/40/64/38/1128406438.db2.gz AMOSPRKGMAYWLM-QGZVFWFLSA-N 0 1 270.351 3.792 20 0 CHADMN Cc1nc(CN[C@@H]2CCc3c2cccc3C)sc1C ZINC000153843149 1128406929 /nfs/dbraw/zinc/40/69/29/1128406929.db2.gz DABAQDURNQMURI-OAHLLOKOSA-N 0 1 272.417 3.845 20 0 CHADMN C[C@H]1CN(Cc2ccccc2F)Cc2ccccc21 ZINC000916151350 1128409648 /nfs/dbraw/zinc/40/96/48/1128409648.db2.gz GCCMVFQBDNUWQI-ZDUSSCGKSA-N 0 1 255.336 3.945 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC(O)(C2CCC2)CC1 ZINC000932821542 1128422692 /nfs/dbraw/zinc/42/26/92/1128422692.db2.gz UBJWZIXDFJXMTF-LBPRGKRZSA-N 0 1 295.373 3.653 20 0 CHADMN CC[C@H](C)N1Cc2cc(Br)ccc2C[C@@H]1C ZINC001257448303 1128426648 /nfs/dbraw/zinc/42/66/48/1128426648.db2.gz RQTIBRWIXMVSSI-QWRGUYRKSA-N 0 1 282.225 3.994 20 0 CHADMN C[C@@]1(Cc2ccc(Cl)s2)CCCN1Cc1c[nH]cn1 ZINC000932919422 1128426979 /nfs/dbraw/zinc/42/69/79/1128426979.db2.gz IEKYFAXPSBEDIO-AWEZNQCLSA-N 0 1 295.839 3.722 20 0 CHADMN CC1(C)CC[C@H]([NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000328435742 1128431482 /nfs/dbraw/zinc/43/14/82/1128431482.db2.gz BZQJMCCHLRNWHV-NSHDSACASA-N 0 1 253.773 3.714 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1C[C@H](C)C[C@H](C)C1 ZINC000037386206 1128431659 /nfs/dbraw/zinc/43/16/59/1128431659.db2.gz UJFHZJYYKWGOMY-OKILXGFUSA-N 0 1 289.419 3.766 20 0 CHADMN COc1ncccc1CN[C@@H](C)c1cc(C)c(C)cc1C ZINC000037650335 1128435033 /nfs/dbraw/zinc/43/50/33/1128435033.db2.gz SHKLMFUNIKCVLO-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN c1ccc2c(c1)C=C[C@@]1(CCCN(Cc3cccnc3)C1)O2 ZINC000933660887 1128439520 /nfs/dbraw/zinc/43/95/20/1128439520.db2.gz WVSMHWJJPNXXCR-LJQANCHMSA-N 0 1 292.382 3.522 20 0 CHADMN c1ncc(CN2CCC[C@@]3(C=Cc4ccccc4O3)C2)s1 ZINC000933656960 1128439647 /nfs/dbraw/zinc/43/96/47/1128439647.db2.gz SDFTUBOQJUNCET-QGZVFWFLSA-N 0 1 298.411 3.584 20 0 CHADMN CN(Cc1ccc(Cl)cc1Cl)CC1(O)CCCC1 ZINC000123702119 1128440039 /nfs/dbraw/zinc/44/00/39/1128440039.db2.gz JMCUBBOBLHNTDE-UHFFFAOYSA-N 0 1 288.218 3.730 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2csc(-c3ccccn3)n2)C1 ZINC000124160553 1128442008 /nfs/dbraw/zinc/44/20/08/1128442008.db2.gz GITHIOSSQLBNJM-BETUJISGSA-N 0 1 287.432 3.683 20 0 CHADMN CC(C)(C)c1cc(CN[C@@H]2CCOC23CCCCC3)no1 ZINC000933872726 1128446651 /nfs/dbraw/zinc/44/66/51/1128446651.db2.gz XYMMQSPYDUXFFQ-CQSZACIVSA-N 0 1 292.423 3.554 20 0 CHADMN Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccoc1)C1CC1 ZINC000934001661 1128448723 /nfs/dbraw/zinc/44/87/23/1128448723.db2.gz GUGSJFRQLNHDCG-UHFFFAOYSA-N 0 1 298.386 3.581 20 0 CHADMN c1ccc(CC[C@H]2CCCN2Cc2nnc(C3CC3)o2)cc1 ZINC000125730991 1128452361 /nfs/dbraw/zinc/45/23/61/1128452361.db2.gz KMOQLLBKOOXHIE-MRXNPFEDSA-N 0 1 297.402 3.544 20 0 CHADMN CCCCC1(NCc2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000934208726 1128454578 /nfs/dbraw/zinc/45/45/78/1128454578.db2.gz DJYPWZBRYVLXGE-UHFFFAOYSA-N 0 1 285.391 3.857 20 0 CHADMN CCCCC1(NCc2cc(-c3ccco3)on2)CC1 ZINC000934209342 1128454679 /nfs/dbraw/zinc/45/46/79/1128454679.db2.gz VMVQQQNDZRCKGP-UHFFFAOYSA-N 0 1 260.337 3.747 20 0 CHADMN CC[C@@H]1CCN([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000125390402 1128449844 /nfs/dbraw/zinc/44/98/44/1128449844.db2.gz VJDZPIGRNWCDMX-NWDGAFQWSA-N 0 1 250.386 3.765 20 0 CHADMN C[C@@H](NCc1ccsc1)c1cnn(CC2CCC2)c1 ZINC000934559696 1128463283 /nfs/dbraw/zinc/46/32/83/1128463283.db2.gz QSUWZQQCDAUUKV-GFCCVEGCSA-N 0 1 275.421 3.596 20 0 CHADMN CC[C@H](C)Oc1cc(C)ccc1CNCc1ccn(C)c1 ZINC000126626606 1128464882 /nfs/dbraw/zinc/46/48/82/1128464882.db2.gz CXDNMFHTOUQWPW-HNNXBMFYSA-N 0 1 286.419 3.801 20 0 CHADMN CCC[C@@H](C)CC[C@@H](C)N[C@H](C)c1ncc(F)cn1 ZINC001257470351 1128468661 /nfs/dbraw/zinc/46/86/61/1128468661.db2.gz GVCMQEOJYLPTCX-JHJVBQTASA-N 0 1 267.392 3.871 20 0 CHADMN O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1n[nH]c2ccccc21 ZINC000497324521 1128471620 /nfs/dbraw/zinc/47/16/20/1128471620.db2.gz LCMXDXAHCGJSTD-MGPQQGTHSA-N 0 1 297.402 3.652 20 0 CHADMN Cc1ccc(CN(CCOc2ccc(C)cc2)C2CC2)o1 ZINC000917062218 1128472433 /nfs/dbraw/zinc/47/24/33/1128472433.db2.gz KELMAHGIEAPVKP-UHFFFAOYSA-N 0 1 285.387 3.940 20 0 CHADMN CCCCN(C)[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000066608381 1128475673 /nfs/dbraw/zinc/47/56/73/1128475673.db2.gz OJZVAMSADXHYJJ-LBPRGKRZSA-N 0 1 291.370 3.977 20 0 CHADMN C[C@@H](CCc1ccc(Cl)s1)NCc1cscn1 ZINC000127288925 1128474705 /nfs/dbraw/zinc/47/47/05/1128474705.db2.gz JUFRHRGHBRBOFQ-VIFPVBQESA-N 0 1 286.853 3.969 20 0 CHADMN CCn1nccc1C[N@@H+](C)Cc1cccc2ccccc21 ZINC000127286661 1128475006 /nfs/dbraw/zinc/47/50/06/1128475006.db2.gz ZPKJULJNCHLFIZ-UHFFFAOYSA-N 0 1 279.387 3.688 20 0 CHADMN CCn1nccc1CN(C)Cc1cccc2ccccc21 ZINC000127286661 1128475008 /nfs/dbraw/zinc/47/50/08/1128475008.db2.gz ZPKJULJNCHLFIZ-UHFFFAOYSA-N 0 1 279.387 3.688 20 0 CHADMN C[C@@H](CN1CCO[C@H](c2cccc(O)c2)C1)c1ccccc1 ZINC000127540969 1128479134 /nfs/dbraw/zinc/47/91/34/1128479134.db2.gz JSOLMHACIMVXIB-KXBFYZLASA-N 0 1 297.398 3.569 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NCc1cc2cc(C)ccc2o1 ZINC000563722000 1128476070 /nfs/dbraw/zinc/47/60/70/1128476070.db2.gz GNVVLOULBGGYHR-LBPRGKRZSA-N 0 1 283.375 3.634 20 0 CHADMN C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000563748603 1128477159 /nfs/dbraw/zinc/47/71/59/1128477159.db2.gz KMOACPWWIQBXHK-BBRMVZONSA-N 0 1 297.402 3.727 20 0 CHADMN CC[C@@H](N[C@H]1CCC[C@H]1F)c1ccc(F)cc1F ZINC000563901251 1128484333 /nfs/dbraw/zinc/48/43/33/1128484333.db2.gz AXMJDIJCRRDETB-BNOWGMLFSA-N 0 1 257.299 3.896 20 0 CHADMN CSCCCN(C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000564035168 1128490767 /nfs/dbraw/zinc/49/07/67/1128490767.db2.gz JYYFTFNTHWGGDN-UHFFFAOYSA-N 0 1 294.395 3.666 20 0 CHADMN CCC[C@@H](C)CC[C@@H](C)N1CCc2onc(COC)c2C1 ZINC001257480222 1128492756 /nfs/dbraw/zinc/49/27/56/1128492756.db2.gz UUJUFUCLHBURRA-ZIAGYGMSSA-N 0 1 294.439 3.784 20 0 CHADMN Cc1cc(CN[C@H]2c3ccccc3O[C@@H]2C)c(C)s1 ZINC000564123102 1128494304 /nfs/dbraw/zinc/49/43/04/1128494304.db2.gz DRFLCBZGNUPJRZ-BDJLRTHQSA-N 0 1 273.401 3.977 20 0 CHADMN CN(C(=O)c1cc(C2CCCCC2)[nH]n1)C1CCCCC1 ZINC000128577548 1128504743 /nfs/dbraw/zinc/50/47/43/1128504743.db2.gz MZPNAEMLBRZMLO-UHFFFAOYSA-N 0 1 289.423 3.862 20 0 CHADMN CC(C)C[C@H]1CC[N@@H+](CC[C@H](C(=O)[O-])c2ccccc2)C1 ZINC000567116804 1128557987 /nfs/dbraw/zinc/55/79/87/1128557987.db2.gz NAFJYIAXUIIXDO-WBVHZDCISA-N 0 1 289.419 3.613 20 0 CHADMN CC(C)C[C@@H]1CC[N@@H+](CC[C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000567116801 1128558204 /nfs/dbraw/zinc/55/82/04/1128558204.db2.gz NAFJYIAXUIIXDO-DOTOQJQBSA-N 0 1 289.419 3.613 20 0 CHADMN CC1(C)CN(C/C=C/c2ccc(F)cc2)[C@@H]1[C@H]1CCCO1 ZINC000564532519 1128511380 /nfs/dbraw/zinc/51/13/80/1128511380.db2.gz GFAOMGUWKBAVEO-QZJSNOFBSA-N 0 1 289.394 3.728 20 0 CHADMN CC[C@@H](C)N(C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000068449846 1128511481 /nfs/dbraw/zinc/51/14/81/1128511481.db2.gz KUALIWIMRBJVJQ-SNVBAGLBSA-N 0 1 279.771 3.620 20 0 CHADMN Clc1ccc2onc(NCCc3cccs3)c2c1 ZINC000564557702 1128512207 /nfs/dbraw/zinc/51/22/07/1128512207.db2.gz DVOOMGRBVWICCX-UHFFFAOYSA-N 0 1 278.764 3.619 20 0 CHADMN CC1(C)CC[C@H](Sc2nc(-c3ccccc3O)n[nH]2)C1 ZINC000564830735 1128516180 /nfs/dbraw/zinc/51/61/80/1128516180.db2.gz KRRHKHKWVWWDIF-JTQLQIEISA-N 0 1 289.404 3.848 20 0 CHADMN Fc1cc(CN2CC[C@@H](c3cccnc3)C2)ccc1Cl ZINC000564918682 1128517003 /nfs/dbraw/zinc/51/70/03/1128517003.db2.gz DVZYUGPKJDTZHH-CQSZACIVSA-N 0 1 290.769 3.864 20 0 CHADMN C[C@H]1CC[N@@H+](CC2CCC(C(C)(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC000564968493 1128517442 /nfs/dbraw/zinc/51/74/42/1128517442.db2.gz WZLSYVHZWBJILS-LBDPXKHJSA-N 0 1 295.467 3.882 20 0 CHADMN C[C@H]([N@@H+](C)Cc1ccc(C(=O)[O-])c(Cl)c1)C(C)(C)C ZINC000565102496 1128519677 /nfs/dbraw/zinc/51/96/77/1128519677.db2.gz GUOHSCYDPFZDBS-JTQLQIEISA-N 0 1 283.799 3.905 20 0 CHADMN CC(C)C[C@H](C)N1CCO[C@@H](c2cccs2)C1 ZINC000565142869 1128520907 /nfs/dbraw/zinc/52/09/07/1128520907.db2.gz XWCNDFSAAWDGKF-QWHCGFSZSA-N 0 1 253.411 3.556 20 0 CHADMN CC(C)[C@@H](CC(F)(F)F)N[C@@H](C)c1cn2ccccc2n1 ZINC000565218344 1128521935 /nfs/dbraw/zinc/52/19/35/1128521935.db2.gz PMWRDRMPKXIEPU-NWDGAFQWSA-N 0 1 299.340 3.962 20 0 CHADMN Fc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000565301496 1128523685 /nfs/dbraw/zinc/52/36/85/1128523685.db2.gz VSHJQAJKPOLIKI-MLGOLLRUSA-N 0 1 297.801 3.870 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000917889882 1128524745 /nfs/dbraw/zinc/52/47/45/1128524745.db2.gz HGKLBPPAQZEMQA-UHFFFAOYSA-N 0 1 297.330 3.539 20 0 CHADMN COc1cccc2cc([C@@H](C)N[C@H]3CCC[C@H]3F)oc21 ZINC000565436741 1128526777 /nfs/dbraw/zinc/52/67/77/1128526777.db2.gz RYQDIDCKWJUQFA-RTXFEEFZSA-N 0 1 277.339 3.983 20 0 CHADMN C[C@@H]1CC(C)(C)C[N@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC000565541998 1128528334 /nfs/dbraw/zinc/52/83/34/1128528334.db2.gz BSVJZTYBGHJDGL-SNVBAGLBSA-N 0 1 281.783 3.659 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@H](C)c1cnc(C)s1 ZINC000631709824 1128531589 /nfs/dbraw/zinc/53/15/89/1128531589.db2.gz VWIWQGMWGFROSJ-GHMZBOCLSA-N 0 1 275.421 3.821 20 0 CHADMN C[C@H]1CCCC[N@H+]([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000565838686 1128533670 /nfs/dbraw/zinc/53/36/70/1128533670.db2.gz QHONBUCYWDZIJM-IINYFYTJSA-N 0 1 299.773 3.727 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000565898250 1128534197 /nfs/dbraw/zinc/53/41/97/1128534197.db2.gz OPRYDIJJEKWGEP-JTQLQIEISA-N 0 1 291.322 3.618 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2cc(Cl)ccc2Cl)n1 ZINC000041123534 1128536183 /nfs/dbraw/zinc/53/61/83/1128536183.db2.gz HZKMIYFKSSCYLN-JTQLQIEISA-N 0 1 286.162 3.699 20 0 CHADMN CCOc1ccc(CN2CCOC3(CCCCC3)C2)cc1 ZINC000567252166 1128560305 /nfs/dbraw/zinc/56/03/05/1128560305.db2.gz GVAZFWOULMTAQN-UHFFFAOYSA-N 0 1 289.419 3.620 20 0 CHADMN O=C([O-])CC1(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000566357985 1128542917 /nfs/dbraw/zinc/54/29/17/1128542917.db2.gz BRIDBFUTJGRRFY-MRXNPFEDSA-N 0 1 287.403 3.511 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N[C@@H]2CCC2(C)C)n1 ZINC000566429761 1128544029 /nfs/dbraw/zinc/54/40/29/1128544029.db2.gz ZMNFWELFFRYSEF-GXTWGEPZSA-N 0 1 285.391 3.884 20 0 CHADMN C[C@@H]1CC[C@]2(CCN(Cc3cc(C(C)(C)C)on3)C2)C1 ZINC000566554311 1128546666 /nfs/dbraw/zinc/54/66/66/1128546666.db2.gz UELHSMRAGDXUSR-DYVFJYSZSA-N 0 1 276.424 3.984 20 0 CHADMN Cc1oc([C@H](C)[N@@H+](C)CCc2cccs2)cc1C(=O)[O-] ZINC000566624841 1128547875 /nfs/dbraw/zinc/54/78/75/1128547875.db2.gz CKZVKNXCOGSMRI-JTQLQIEISA-N 0 1 293.388 3.583 20 0 CHADMN Fc1ccc2nc(-c3cccc(OC(F)F)c3)[nH]c2c1 ZINC000070285685 1128560860 /nfs/dbraw/zinc/56/08/60/1128560860.db2.gz AXVTUFFVTHTKKF-UHFFFAOYSA-N 0 1 278.233 3.970 20 0 CHADMN CCC1CCC(N(C)C(=O)c2[nH]nc3ccccc32)CC1 ZINC000070287164 1128561211 /nfs/dbraw/zinc/56/12/11/1128561211.db2.gz AKUXZVQPZPIRSH-UHFFFAOYSA-N 0 1 285.391 3.604 20 0 CHADMN C[C@H]1CN(C(=O)c2ccc(Cl)cc2O)c2ccccc21 ZINC000130001186 1128561400 /nfs/dbraw/zinc/56/14/00/1128561400.db2.gz IJLSNPZUMOBILS-JTQLQIEISA-N 0 1 287.746 3.810 20 0 CHADMN Cc1ccc(N(C)C(=O)c2cc(F)cc3[nH]cnc32)cc1C ZINC000918662316 1128564198 /nfs/dbraw/zinc/56/41/98/1128564198.db2.gz RDXZMDHXWCTXIA-UHFFFAOYSA-N 0 1 297.333 3.595 20 0 CHADMN CCc1ccc(N[C@H](c2cccs2)c2nnc[nH]2)cc1C ZINC000567529208 1128566274 /nfs/dbraw/zinc/56/62/74/1128566274.db2.gz JIVBKBWOIJNEDI-OAHLLOKOSA-N 0 1 298.415 3.939 20 0 CHADMN CCc1cc(C(=O)N(CC)[C@@H](CC)c2ccccc2)n[nH]1 ZINC000498812908 1128613462 /nfs/dbraw/zinc/61/34/62/1128613462.db2.gz ROMWDMKDCYWEFO-INIZCTEOSA-N 0 1 285.391 3.586 20 0 CHADMN C[C@@H](NC1CCC2(CC2)CC1)c1nc(C(C)(C)C)no1 ZINC000567665351 1128569556 /nfs/dbraw/zinc/56/95/56/1128569556.db2.gz JWOAKQWPSQMMAX-LLVKDONJSA-N 0 1 277.412 3.741 20 0 CHADMN CC[C@@H](N[C@H]1CCC[C@H]1F)c1cc(C)ccc1OC ZINC000556261993 1128570589 /nfs/dbraw/zinc/57/05/89/1128570589.db2.gz ZNWNPZQJKLTKHS-KFWWJZLASA-N 0 1 265.372 3.935 20 0 CHADMN Cc1cc(CN2CCOC[C@H]2C2CCC2)cc2cccnc12 ZINC000567905146 1128574161 /nfs/dbraw/zinc/57/41/61/1128574161.db2.gz GGEAAPQNBXIOTG-SFHVURJKSA-N 0 1 296.414 3.544 20 0 CHADMN C[C@H](c1ncccn1)N1CCC(C)(c2ccccc2)CC1 ZINC000930081693 1128614024 /nfs/dbraw/zinc/61/40/24/1128614024.db2.gz FHVQDIXIRUBYBB-OAHLLOKOSA-N 0 1 281.403 3.591 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1c(C)c(C)c(C)c(C)c1C ZINC000568074644 1128576826 /nfs/dbraw/zinc/57/68/26/1128576826.db2.gz NUEGQGMKXNNPIH-NSHDSACASA-N 0 1 291.435 3.914 20 0 CHADMN CC(C)C[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000568061907 1128577186 /nfs/dbraw/zinc/57/71/86/1128577186.db2.gz WMKIZOXEBCCTQK-GFCCVEGCSA-N 0 1 290.190 3.707 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC000568073867 1128577428 /nfs/dbraw/zinc/57/74/28/1128577428.db2.gz PAHLEKAGFHXFGA-BFYDXBDKSA-N 0 1 281.440 3.636 20 0 CHADMN C[C@@H](NCc1ccc(C#N)cn1)c1ccc2c(c1)CCCC2 ZINC000568166149 1128579594 /nfs/dbraw/zinc/57/95/94/1128579594.db2.gz DMDOURSTQRXILR-CQSZACIVSA-N 0 1 291.398 3.683 20 0 CHADMN CC[N@@H+](CCOc1cccc(Cl)c1)Cc1ccccn1 ZINC000131323458 1128614378 /nfs/dbraw/zinc/61/43/78/1128614378.db2.gz QDVVMPSATFUJJC-UHFFFAOYSA-N 0 1 290.794 3.636 20 0 CHADMN CCN(CCOc1cccc(Cl)c1)Cc1ccccn1 ZINC000131323458 1128614381 /nfs/dbraw/zinc/61/43/81/1128614381.db2.gz QDVVMPSATFUJJC-UHFFFAOYSA-N 0 1 290.794 3.636 20 0 CHADMN CC(C)N(Cc1cn2ccccc2n1)Cc1ccccc1 ZINC000070946072 1128581066 /nfs/dbraw/zinc/58/10/66/1128581066.db2.gz MROWDIMXQSMIPX-UHFFFAOYSA-N 0 1 279.387 3.745 20 0 CHADMN COC[C@@H](NCc1ccc(SC)s1)c1ccccc1 ZINC000568333339 1128582722 /nfs/dbraw/zinc/58/27/22/1128582722.db2.gz VKCWADVPKGKTBD-CQSZACIVSA-N 0 1 293.457 3.947 20 0 CHADMN CN(Cc1cc(C(C)(C)C)on1)C[C@H]1CC=CCC1 ZINC000568332062 1128582848 /nfs/dbraw/zinc/58/28/48/1128582848.db2.gz GCZVLKTWPBWEEC-ZDUSSCGKSA-N 0 1 262.397 3.760 20 0 CHADMN CC(=O)c1cc(CN2CCC[C@H](c3ccccc3)CC2)on1 ZINC000568410593 1128584653 /nfs/dbraw/zinc/58/46/53/1128584653.db2.gz RVEFOCFCPAHSJJ-INIZCTEOSA-N 0 1 298.386 3.647 20 0 CHADMN Cc1ccc(-c2noc([C@@H](C)NCC3CCC3)n2)cc1F ZINC000542615143 1128614754 /nfs/dbraw/zinc/61/47/54/1128614754.db2.gz QGKJCWRMFPVYSA-LLVKDONJSA-N 0 1 289.354 3.635 20 0 CHADMN CC1(C)CN(Cc2cc3ccccc3o2)[C@H]1[C@@H]1CCCO1 ZINC000568568326 1128587403 /nfs/dbraw/zinc/58/74/03/1128587403.db2.gz PPIDQTCCCRQGRO-IRXDYDNUSA-N 0 1 285.387 3.822 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000568641912 1128589377 /nfs/dbraw/zinc/58/93/77/1128589377.db2.gz UPIPKTLZSKJQPJ-HNNXBMFYSA-N 0 1 267.413 3.676 20 0 CHADMN CN(CC(=O)N(C1CCCCC1)C1CCCCC1)C1CC1 ZINC000071804932 1128598828 /nfs/dbraw/zinc/59/88/28/1128598828.db2.gz FJKNROQPNSXZEQ-UHFFFAOYSA-N 0 1 292.467 3.575 20 0 CHADMN C[C@H]1CN(CCc2ccc(F)cc2Cl)CCC1(F)F ZINC000569654378 1128606703 /nfs/dbraw/zinc/60/67/03/1128606703.db2.gz ABLFSAHZPLJPDC-JTQLQIEISA-N 0 1 291.744 3.999 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2Cl)C(C)C)n(C)n1 ZINC000556608039 1128608918 /nfs/dbraw/zinc/60/89/18/1128608918.db2.gz CRQRVRCUJGFPEO-INIZCTEOSA-N 0 1 291.826 3.869 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCC(C)(C3CC3)CC2)n1 ZINC000569770458 1128609271 /nfs/dbraw/zinc/60/92/71/1128609271.db2.gz LBAIRBQCYNSACB-CYBMUJFWSA-N 0 1 291.439 3.985 20 0 CHADMN c1ccc([C@@H]2C[C@@H]2N2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000411171242 1128609411 /nfs/dbraw/zinc/60/94/11/1128609411.db2.gz WAZFGAQKJPDWER-GBESFXJTSA-N 0 1 279.383 3.616 20 0 CHADMN CO[C@@H]1CCC[C@@H]1CN[C@@H](CCc1ccccc1)C(F)F ZINC000498769239 1128609690 /nfs/dbraw/zinc/60/96/90/1128609690.db2.gz ZITMFXZWFZSDFI-OWCLPIDISA-N 0 1 297.389 3.658 20 0 CHADMN CC[C@@H](NCc1cccc(C)c1)c1ccc(F)cn1 ZINC000131238722 1128610638 /nfs/dbraw/zinc/61/06/38/1128610638.db2.gz SVOFKMGAHQFKMD-OAHLLOKOSA-N 0 1 258.340 3.770 20 0 CHADMN C[C@@H]1CCN(Cc2nnc(C3CC3)s2)[C@@H]2CCCC[C@@H]12 ZINC000570131549 1128616940 /nfs/dbraw/zinc/61/69/40/1128616940.db2.gz KZCQZFCPZXCSTN-KWCYVHTRSA-N 0 1 291.464 3.816 20 0 CHADMN FC(F)[C@@H](CCc1ccccc1)NCCC1CCOCC1 ZINC000498916978 1128620276 /nfs/dbraw/zinc/62/02/76/1128620276.db2.gz FPSAGGRIMNLIRB-MRXNPFEDSA-N 0 1 297.389 3.659 20 0 CHADMN Cc1ccccc1-c1nc(CNC2[C@H](C)CCC[C@H]2C)no1 ZINC000570435648 1128623295 /nfs/dbraw/zinc/62/32/95/1128623295.db2.gz ZLWVOZMOJPSPCS-ZIAGYGMSSA-N 0 1 299.418 3.959 20 0 CHADMN CN(Cc1cccnc1)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000930090886 1128623358 /nfs/dbraw/zinc/62/33/58/1128623358.db2.gz ZJLYJDRYNDQSDN-HZPDHXFCSA-N 0 1 288.341 3.562 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3c(n2)CCC3)s1 ZINC000570659860 1128628804 /nfs/dbraw/zinc/62/88/04/1128628804.db2.gz UOGFRKUHTUTARJ-UHFFFAOYSA-N 0 1 272.417 3.572 20 0 CHADMN CC1=CC[C@@H](N[C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000556845880 1128629977 /nfs/dbraw/zinc/62/99/77/1128629977.db2.gz BERDQWWFJNPXBV-VXGBXAGGSA-N 0 1 263.385 3.517 20 0 CHADMN CCc1cnc(CN2C[C@@H](C)C[C@@H]2c2ccccc2)o1 ZINC000556848735 1128630113 /nfs/dbraw/zinc/63/01/13/1128630113.db2.gz HQDJRWZZPQPRSH-XJKSGUPXSA-N 0 1 270.376 3.820 20 0 CHADMN CCc1cnc(CN2C[C@@H](C)C[C@H]2c2ccccc2)o1 ZINC000556848732 1128630130 /nfs/dbraw/zinc/63/01/30/1128630130.db2.gz HQDJRWZZPQPRSH-BBRMVZONSA-N 0 1 270.376 3.820 20 0 CHADMN Cc1noc([C@H](C)N[C@@H]2CC[C@](C)(c3ccccc3)C2)n1 ZINC000570795742 1128631802 /nfs/dbraw/zinc/63/18/02/1128631802.db2.gz ASUWCOUSYCETDQ-MJEQTWJJSA-N 0 1 285.391 3.539 20 0 CHADMN Cc1cnc(CN2CCC[C@@]2(C)Cc2cccc(F)c2)o1 ZINC000570797706 1128632069 /nfs/dbraw/zinc/63/20/69/1128632069.db2.gz DLQNKAPJGFCRFX-KRWDZBQOSA-N 0 1 288.366 3.719 20 0 CHADMN COc1ccc(C)cc1CN1CCOC2(CCCCC2)C1 ZINC000556887778 1128633785 /nfs/dbraw/zinc/63/37/85/1128633785.db2.gz HQFIBPJXWOVFIA-UHFFFAOYSA-N 0 1 289.419 3.539 20 0 CHADMN CCCC[C@@H](C)[N@@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000570887920 1128634333 /nfs/dbraw/zinc/63/43/33/1128634333.db2.gz AFSPCBODVWJSEE-GFCCVEGCSA-N 0 1 291.370 3.886 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000570887920 1128634335 /nfs/dbraw/zinc/63/43/35/1128634335.db2.gz AFSPCBODVWJSEE-GFCCVEGCSA-N 0 1 291.370 3.886 20 0 CHADMN CC[C@@H]1CCCN(Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000499055502 1128637141 /nfs/dbraw/zinc/63/71/41/1128637141.db2.gz NGCGQSHFDUCRSP-OAHLLOKOSA-N 0 1 297.402 3.891 20 0 CHADMN C[C@H](N[C@H]1CCCC12CCC2)c1nc(C(C)(C)C)no1 ZINC000571748167 1128638719 /nfs/dbraw/zinc/63/87/19/1128638719.db2.gz AAYOBVNYKWMFCT-RYUDHWBXSA-N 0 1 277.412 3.741 20 0 CHADMN COCCN(Cc1cc(C(C)(C)C)on1)[C@H]1CCC[C@H]1C ZINC000571842062 1128639762 /nfs/dbraw/zinc/63/97/62/1128639762.db2.gz FQKGKHWBNSDZST-HIFRSBDPSA-N 0 1 294.439 3.609 20 0 CHADMN C[C@@H]1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C[C@@H]1C ZINC000131941506 1128640100 /nfs/dbraw/zinc/64/01/00/1128640100.db2.gz ROMVSRWGDYSQNU-OLZOCXBDSA-N 0 1 289.423 3.576 20 0 CHADMN CCc1nc([C@@H](C)Sc2nc3ccc(F)cc3o2)n[nH]1 ZINC000919854211 1128640245 /nfs/dbraw/zinc/64/02/45/1128640245.db2.gz UXBVQGSBUXNKBO-SSDOTTSWSA-N 0 1 292.339 3.501 20 0 CHADMN CCc1ccc(CN2CCN(CCCCCF)CC2)s1 ZINC000572065796 1128641632 /nfs/dbraw/zinc/64/16/32/1128641632.db2.gz WCTIYCBPKCSCJX-UHFFFAOYSA-N 0 1 298.471 3.568 20 0 CHADMN COc1cc(C)ccc1CN(Cc1ccccn1)C(C)C ZINC000572332424 1128644628 /nfs/dbraw/zinc/64/46/28/1128644628.db2.gz KHPKHHREBSCEOC-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN Cc1cc(CN2CCOC3(CCCCC3)C2)cc(C)c1O ZINC000573045558 1128650700 /nfs/dbraw/zinc/65/07/00/1128650700.db2.gz UHOHAFUKELYIDV-UHFFFAOYSA-N 0 1 289.419 3.544 20 0 CHADMN FC(F)Oc1ccc(Cl)cc1CN[C@H]1C[C@@H]1C(F)F ZINC000572756015 1128647516 /nfs/dbraw/zinc/64/75/16/1128647516.db2.gz OMQRRFUBAGKCMQ-IUCAKERBSA-N 0 1 297.679 3.685 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)C(C)(C)C)n[nH]2)c(C)c1 ZINC000572844808 1128648310 /nfs/dbraw/zinc/64/83/10/1128648310.db2.gz VXQMAYPTNAXMKE-UHFFFAOYSA-N 0 1 285.391 3.564 20 0 CHADMN Cc1ncsc1CN[C@@H]1CSCCc2ccccc21 ZINC000132467770 1128651259 /nfs/dbraw/zinc/65/12/59/1128651259.db2.gz JJDGHKPKSIJXAI-CQSZACIVSA-N 0 1 290.457 3.572 20 0 CHADMN CC[C@@H](C)c1cccc(NC(=O)c2ccc(CN)o2)c1 ZINC000638469210 1128651959 /nfs/dbraw/zinc/65/19/59/1128651959.db2.gz UNMHPPOVHHBFQC-LLVKDONJSA-N 0 1 272.348 3.504 20 0 CHADMN Fc1ccc(CNCc2cccc3c2CCCN3)c(F)c1 ZINC000573340716 1128653629 /nfs/dbraw/zinc/65/36/29/1128653629.db2.gz GFCFMASRKQRYAY-UHFFFAOYSA-N 0 1 288.341 3.613 20 0 CHADMN CC(C)C[C@@H](C)N(C)Cc1nc2c(s1)CCCC2 ZINC000573467423 1128655153 /nfs/dbraw/zinc/65/51/53/1128655153.db2.gz YPPQHDLJRSCQFS-GFCCVEGCSA-N 0 1 266.454 3.888 20 0 CHADMN CC(C)[C@H]1CN(Cc2cc(F)cc(Cl)c2)CCCO1 ZINC000556980827 1128655639 /nfs/dbraw/zinc/65/56/39/1128655639.db2.gz JLAFHLCIBNAMQE-OAHLLOKOSA-N 0 1 285.790 3.726 20 0 CHADMN C[C@H]1CN(C(=O)c2cnc(-c3ccccc3)[nH]2)CC(C)(C)C1 ZINC000499154246 1128655670 /nfs/dbraw/zinc/65/56/70/1128655670.db2.gz IWCFDEPINUNOHV-CYBMUJFWSA-N 0 1 297.402 3.585 20 0 CHADMN C[C@H]1CCCC[C@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000573831987 1128658178 /nfs/dbraw/zinc/65/81/78/1128658178.db2.gz RDKAJRVDBVAJJF-CMPLNLGQSA-N 0 1 282.347 3.907 20 0 CHADMN Fc1cccc(-c2ccc(CN[C@H]3C[C@@H]3C(F)F)o2)c1F ZINC000573827083 1128658480 /nfs/dbraw/zinc/65/84/80/1128658480.db2.gz GPUHHUQXBQVBKU-JQWIXIFHSA-N 0 1 299.267 3.968 20 0 CHADMN CCO[C@@H]1C[C@H]1N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000574030733 1128660739 /nfs/dbraw/zinc/66/07/39/1128660739.db2.gz PSNFEOGCVNXYLE-KURKYZTESA-N 0 1 285.362 3.682 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCc2c(cccc2C(C)C)C1 ZINC000574922068 1128664981 /nfs/dbraw/zinc/66/49/81/1128664981.db2.gz COQATKFCKRWBMA-QGZVFWFLSA-N 0 1 289.419 3.812 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CC/C=C/c1ccccc1 ZINC000575188421 1128666040 /nfs/dbraw/zinc/66/60/40/1128666040.db2.gz XXJBMQKSSSGFGS-BPLPYTOXSA-N 0 1 275.392 3.521 20 0 CHADMN CC(C)C[C@H](C)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000557047747 1128664232 /nfs/dbraw/zinc/66/42/32/1128664232.db2.gz DVVAXJCLDAKWJV-BBRMVZONSA-N 0 1 265.372 3.634 20 0 CHADMN N#CC(C(=O)Cc1cccs1)c1ccc2ccccc2n1 ZINC000047376052 1128670103 /nfs/dbraw/zinc/67/01/03/1128670103.db2.gz QXEYBBUKWPOAJP-AWEZNQCLSA-N 0 1 292.363 3.715 20 0 CHADMN Cn1c2ccccc2nc1C(C#N)C(=O)C1(C)CCCCC1 ZINC000158768722 1128671563 /nfs/dbraw/zinc/67/15/63/1128671563.db2.gz QTLQJXQODFHQSM-ZDUSSCGKSA-N 0 1 295.386 3.720 20 0 CHADMN CCc1ccc(-c2noc(CN(C)C[C@@H](C)CC)n2)cc1 ZINC000600655165 1128677093 /nfs/dbraw/zinc/67/70/93/1128677093.db2.gz BMEXREVVJLGISY-ZDUSSCGKSA-N 0 1 287.407 3.777 20 0 CHADMN Fc1cccc(CN2CC[C@@H](c3ccco3)C2)c1F ZINC000600683140 1128678094 /nfs/dbraw/zinc/67/80/94/1128678094.db2.gz AQIJHZKLUVFFPF-LLVKDONJSA-N 0 1 263.287 3.547 20 0 CHADMN CC[C@H](C)CN(C)Cc1nc(-c2ccccc2C)no1 ZINC000600685168 1128678113 /nfs/dbraw/zinc/67/81/13/1128678113.db2.gz KAIFBJZAYWMJCF-LBPRGKRZSA-N 0 1 273.380 3.523 20 0 CHADMN Cc1noc([C@H](C)N2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000600718895 1128679762 /nfs/dbraw/zinc/67/97/62/1128679762.db2.gz PSKQMFZOFZCDCA-GWCFXTLKSA-N 0 1 291.782 3.582 20 0 CHADMN CCOc1ccc([C@H]2CCC[N@H+]2Cc2ncccc2O)cc1 ZINC000577781729 1128689411 /nfs/dbraw/zinc/68/94/11/1128689411.db2.gz GSVLDUWHRHJYJE-QGZVFWFLSA-N 0 1 298.386 3.523 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccc3[nH]ccc3c1)CCO2 ZINC000577817472 1128691189 /nfs/dbraw/zinc/69/11/89/1128691189.db2.gz HWOGWWFNAGNSSM-KRWDZBQOSA-N 0 1 296.345 3.920 20 0 CHADMN Cc1cccc(CCN2CCc3cc(Cl)ccc3C2)n1 ZINC000577863600 1128694739 /nfs/dbraw/zinc/69/47/39/1128694739.db2.gz IXLVFYJCVCJZJU-UHFFFAOYSA-N 0 1 286.806 3.644 20 0 CHADMN Clc1cnn(CN2CCC[C@H]2CCc2ccccc2)c1 ZINC000921186999 1128702732 /nfs/dbraw/zinc/70/27/32/1128702732.db2.gz ZSLYISMVKPIXFP-INIZCTEOSA-N 0 1 289.810 3.591 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000578137546 1128709096 /nfs/dbraw/zinc/70/90/96/1128709096.db2.gz MDICOQFBUIYAOV-DUVNUKRYSA-N 0 1 293.382 3.503 20 0 CHADMN Cc1ccoc1CNCc1cccc(C(F)(F)F)c1 ZINC000135126060 1128715484 /nfs/dbraw/zinc/71/54/84/1128715484.db2.gz GLZBKIPQMWOOAB-UHFFFAOYSA-N 0 1 269.266 3.897 20 0 CHADMN CN(Cc1nnc(C2CC2)o1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000578506830 1128719381 /nfs/dbraw/zinc/71/93/81/1128719381.db2.gz MBACDYUJVSEXCM-STQMWFEESA-N 0 1 277.412 3.594 20 0 CHADMN FC(F)C[C@H]1COCCN1CCC1CCCCCC1 ZINC000578494360 1128719680 /nfs/dbraw/zinc/71/96/80/1128719680.db2.gz PJQRYMHCSGSCTB-AWEZNQCLSA-N 0 1 275.383 3.703 20 0 CHADMN CC(C)C[C@H](C)C[C@@H](C)NCc1nccc(Cl)n1 ZINC001258061552 1128723920 /nfs/dbraw/zinc/72/39/20/1128723920.db2.gz KXGNHSPJMAGCHM-NWDGAFQWSA-N 0 1 269.820 3.680 20 0 CHADMN COC(=O)c1ccc2c(c1)CN(C[C@H](C)c1ccccc1)C2 ZINC000609738969 1128724677 /nfs/dbraw/zinc/72/46/77/1128724677.db2.gz DOVUKHQHGFQOTD-AWEZNQCLSA-N 0 1 295.382 3.593 20 0 CHADMN CC(C)N(CCc1nccs1)Cc1cccnc1Cl ZINC000159857809 1128733272 /nfs/dbraw/zinc/73/32/72/1128733272.db2.gz MIZHDOXOXRNQCX-UHFFFAOYSA-N 0 1 295.839 3.645 20 0 CHADMN COc1ccc(CN(C)Cc2cc(C)oc2C)cc1 ZINC000159864077 1128733343 /nfs/dbraw/zinc/73/33/43/1128733343.db2.gz VJKVSAOVOOUGRZ-UHFFFAOYSA-N 0 1 259.349 3.537 20 0 CHADMN CC(C)(C)CC(C)(C)Nc1nc(Cl)nc2[nH]cnc21 ZINC000165476479 1117750117 /nfs/dbraw/zinc/75/01/17/1117750117.db2.gz XZKNDQQJQKGZGR-UHFFFAOYSA-N 0 1 281.791 3.633 20 0 CHADMN CC[C@H](C(=O)N(CC(C)C)c1cccc(Cl)c1)N(C)C ZINC000622666405 1117752055 /nfs/dbraw/zinc/75/20/55/1117752055.db2.gz XTDRVHGSDGFSTR-OAHLLOKOSA-N 0 1 296.842 3.669 20 0 CHADMN C[C@@H]([NH2+]Cc1ccsc1)c1cc(Cl)ccc1[O-] ZINC000185020046 1117752969 /nfs/dbraw/zinc/75/29/69/1117752969.db2.gz GXVMUEPWEBPRBS-SECBINFHSA-N 0 1 267.781 3.958 20 0 CHADMN CC[C@H](C)N1CCN(C(=O)CCCC2CCCCC2)CC1 ZINC000622657653 1117753850 /nfs/dbraw/zinc/75/38/50/1117753850.db2.gz GQRVTPHPEIOLEF-INIZCTEOSA-N 0 1 294.483 3.680 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)o1 ZINC000430139961 1117755688 /nfs/dbraw/zinc/75/56/88/1117755688.db2.gz MISLZDWIBNMXKY-UKPHBRMFSA-N 0 1 289.419 3.652 20 0 CHADMN CC[C@H](NCc1c(C)noc1C)c1ccc(C)cc1 ZINC000034996360 1117759208 /nfs/dbraw/zinc/75/92/08/1117759208.db2.gz PFBPBSCWQKCHKE-INIZCTEOSA-N 0 1 258.365 3.841 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cc(C(F)(F)F)ccc2Cl)CO1 ZINC000579712276 1117760144 /nfs/dbraw/zinc/76/01/44/1117760144.db2.gz QAPNGTOMSQFVMR-LDYMZIIASA-N 0 1 293.716 3.626 20 0 CHADMN C[C@@H](C[N@H+]1Cc2ccc(F)cc2C1)c1ccccc1 ZINC001207909542 1117761116 /nfs/dbraw/zinc/76/11/16/1117761116.db2.gz CTNQUWSAZVGEFY-ZDUSSCGKSA-N 0 1 255.336 3.945 20 0 CHADMN C[C@@H](CN1Cc2ccc(F)cc2C1)c1ccccc1 ZINC001207909542 1117761117 /nfs/dbraw/zinc/76/11/17/1117761117.db2.gz CTNQUWSAZVGEFY-ZDUSSCGKSA-N 0 1 255.336 3.945 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2[C@H](C)CCC[C@H]2C)c(C)c1 ZINC000003153792 1117763636 /nfs/dbraw/zinc/76/36/36/1117763636.db2.gz OEEURYQNJMVJOP-HZPDHXFCSA-N 0 1 288.435 3.813 20 0 CHADMN Cc1cc(F)ccc1CN(C)Cc1n[nH]c2ccccc21 ZINC000683109016 1117770283 /nfs/dbraw/zinc/77/02/83/1117770283.db2.gz NPXQZFCLUWRDBW-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN Cc1cc(F)ccc1CN(C)Cc1[nH]nc2ccccc21 ZINC000683109016 1117770285 /nfs/dbraw/zinc/77/02/85/1117770285.db2.gz NPXQZFCLUWRDBW-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN Cc1cc(CN(C)Cc2ccncc2)cc(C)c1Cl ZINC001238088047 1117770866 /nfs/dbraw/zinc/77/08/66/1117770866.db2.gz BWKYNTHQOFOTLH-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(CC)(CC)CC)n[nH]1 ZINC000683121072 1117779143 /nfs/dbraw/zinc/77/91/43/1117779143.db2.gz NTQJGYQZBARGNS-NEPJUHHUSA-N 0 1 294.443 3.712 20 0 CHADMN C[C@@H]1CN(c2cccc(F)c2)CCN1Cc1ccsc1 ZINC000430149306 1117782307 /nfs/dbraw/zinc/78/23/07/1117782307.db2.gz MTUZGVJUHSMLHE-CYBMUJFWSA-N 0 1 290.407 3.598 20 0 CHADMN Oc1cc(F)c(-c2ncc(-c3ccccc3)cn2)cc1F ZINC001206760985 1117783504 /nfs/dbraw/zinc/78/35/04/1117783504.db2.gz GGAARLMGOPYUOO-UHFFFAOYSA-N 0 1 284.265 3.794 20 0 CHADMN C[C@@H](c1noc(-c2ccccc2)n1)N(C)CC1CCCC1 ZINC000671240498 1117783759 /nfs/dbraw/zinc/78/37/59/1117783759.db2.gz QCGSIUZBOBEQGU-ZDUSSCGKSA-N 0 1 285.391 3.920 20 0 CHADMN CC[C@H](OCCNCc1ccco1)c1ccccc1 ZINC000403165089 1117787024 /nfs/dbraw/zinc/78/70/24/1117787024.db2.gz HVMBWPJEGWXVPB-INIZCTEOSA-N 0 1 259.349 3.537 20 0 CHADMN Cc1ccccc1CCC[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000579132717 1128739610 /nfs/dbraw/zinc/73/96/10/1128739610.db2.gz JOKGYBQDEFLGBD-UHFFFAOYSA-N 0 1 297.398 3.758 20 0 CHADMN C(=CC1CCCC1)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000579006749 1128735568 /nfs/dbraw/zinc/73/55/68/1128735568.db2.gz OCLDLPUTSFGCAV-YVMONPNESA-N 0 1 280.331 3.816 20 0 CHADMN CCOC(CN1CCC[C@@H]1c1ccc(Cl)cc1)OCC ZINC000185320881 1117810077 /nfs/dbraw/zinc/81/00/77/1117810077.db2.gz KSZLJSHNHATBLU-OAHLLOKOSA-N 0 1 297.826 3.876 20 0 CHADMN C[C@@H]([NH2+]CCN(C)C1CCCC1)c1cc(Cl)ccc1[O-] ZINC000185373649 1117814748 /nfs/dbraw/zinc/81/47/48/1117814748.db2.gz MBQBHLAWIURJAH-GFCCVEGCSA-N 0 1 296.842 3.571 20 0 CHADMN CCCOc1c(CN2CC[C@@H]2CC)cccc1OCC ZINC000430192653 1117832099 /nfs/dbraw/zinc/83/20/99/1117832099.db2.gz COEMLWGZFPNJML-HNNXBMFYSA-N 0 1 277.408 3.858 20 0 CHADMN Cc1cc(CNCc2cccs2)ncc1Br ZINC000623339336 1117836996 /nfs/dbraw/zinc/83/69/96/1117836996.db2.gz VCPRXBSPBDRVDN-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN Clc1ccccc1C1CC(NCc2nccs2)C1 ZINC000041012578 1117837101 /nfs/dbraw/zinc/83/71/01/1117837101.db2.gz JDIPSRGOROBYNY-UHFFFAOYSA-N 0 1 278.808 3.832 20 0 CHADMN CCSc1ccc(-c2noc([C@@H](CC)NC)n2)cc1 ZINC000233862725 1128737944 /nfs/dbraw/zinc/73/79/44/1128737944.db2.gz CLRVKCODERLLEN-GFCCVEGCSA-N 0 1 277.393 3.519 20 0 CHADMN CCCc1ccc(CNCc2cccc3c2OCCO3)cc1 ZINC000733332095 1117842529 /nfs/dbraw/zinc/84/25/29/1117842529.db2.gz ZIYCXKJAKWSWCB-UHFFFAOYSA-N 0 1 297.398 3.700 20 0 CHADMN CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000072918627 1117843670 /nfs/dbraw/zinc/84/36/70/1117843670.db2.gz QGYCMAQXBCWGGD-GXTWGEPZSA-N 0 1 270.376 3.561 20 0 CHADMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000072918627 1117843674 /nfs/dbraw/zinc/84/36/74/1117843674.db2.gz QGYCMAQXBCWGGD-GXTWGEPZSA-N 0 1 270.376 3.561 20 0 CHADMN Oc1ccc(Cl)cc1-c1nc(-c2ccsc2)no1 ZINC000109037413 1117849034 /nfs/dbraw/zinc/84/90/34/1117849034.db2.gz DNNKGIZMRZTUPC-UHFFFAOYSA-N 0 1 278.720 3.824 20 0 CHADMN COc1ccc(CNc2cc3c(cn2)CCC3)c(Cl)c1 ZINC000339553144 1117850187 /nfs/dbraw/zinc/85/01/87/1117850187.db2.gz FOKOGQMLJBKZNH-UHFFFAOYSA-N 0 1 288.778 3.844 20 0 CHADMN FC(F)(F)c1cnc(CNc2cc3c(cn2)CCC3)s1 ZINC000339554543 1117851534 /nfs/dbraw/zinc/85/15/34/1117851534.db2.gz LHVQJEUWJRMWNT-UHFFFAOYSA-N 0 1 299.321 3.658 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNc2cc3c(cn2)CCC3)o1 ZINC000339556820 1117853328 /nfs/dbraw/zinc/85/33/28/1117853328.db2.gz PDOZDAQSTLJTSP-XHDPSFHLSA-N 0 1 268.360 3.899 20 0 CHADMN CC[C@H]1CC[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000430198710 1117853845 /nfs/dbraw/zinc/85/38/45/1117853845.db2.gz ZRCYOLFUTUYBQI-JTQLQIEISA-N 0 1 275.726 3.926 20 0 CHADMN CC[C@H]1CCN1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000430198710 1117853849 /nfs/dbraw/zinc/85/38/49/1117853849.db2.gz ZRCYOLFUTUYBQI-JTQLQIEISA-N 0 1 275.726 3.926 20 0 CHADMN C[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccn(-c3ccccc3)n2)C1 ZINC000623433822 1117855311 /nfs/dbraw/zinc/85/53/11/1117855311.db2.gz ALMHQUBQTXUQMD-MAUKXSAKSA-N 0 1 283.419 3.883 20 0 CHADMN CCn1nc(CNc2cc3c(cn2)CCC3)c2ccccc21 ZINC000339558246 1117857090 /nfs/dbraw/zinc/85/70/90/1117857090.db2.gz YGKSDPKBCRKGMS-UHFFFAOYSA-N 0 1 292.386 3.552 20 0 CHADMN CC[C@@H](CC(F)(F)F)NCc1cc(F)ccc1F ZINC000544835991 1117857237 /nfs/dbraw/zinc/85/72/37/1117857237.db2.gz GMBQLWPQRILNAH-JTQLQIEISA-N 0 1 267.241 3.785 20 0 CHADMN CCC[C@@H]1CCC[N@@H+](CC[C@H](C(=O)[O-])c2ccccc2)C1 ZINC000579132363 1128739293 /nfs/dbraw/zinc/73/92/93/1128739293.db2.gz AQWITFSRFARYGG-WBVHZDCISA-N 0 1 289.419 3.757 20 0 CHADMN FC(F)(F)c1cc(CNC2CC(F)(F)C2)cs1 ZINC000623507266 1117863135 /nfs/dbraw/zinc/86/31/35/1117863135.db2.gz AYXLCLJSKULBNC-UHFFFAOYSA-N 0 1 271.254 3.654 20 0 CHADMN Cc1ccc([C@@H](N[C@@H](C)COC(C)C)c2ccccn2)cc1 ZINC000375592226 1117867094 /nfs/dbraw/zinc/86/70/94/1117867094.db2.gz REJKNVASGHOOAI-QFBILLFUSA-N 0 1 298.430 3.883 20 0 CHADMN Cc1ccc(CN2CCC(Sc3ccncc3)CC2)cn1 ZINC001139932784 1117868017 /nfs/dbraw/zinc/86/80/17/1117868017.db2.gz NDIRBBLMVZYQMB-UHFFFAOYSA-N 0 1 299.443 3.542 20 0 CHADMN C[C@@H]1C[C@H](NCc2c(F)ccc(F)c2Cl)CS1 ZINC000623549532 1117870342 /nfs/dbraw/zinc/87/03/42/1117870342.db2.gz FEOQOMYEPGQDMS-SFYZADRCSA-N 0 1 277.767 3.602 20 0 CHADMN Oc1ccc(Cl)cc1-c1nc(-c2cccc(F)c2)no1 ZINC000109037330 1117876013 /nfs/dbraw/zinc/87/60/13/1117876013.db2.gz OUGXWKHYTOQJNJ-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN CO[C@@H](CNCc1ncc(C)s1)c1ccccc1Cl ZINC000648483361 1117877118 /nfs/dbraw/zinc/87/71/18/1117877118.db2.gz ZWHRFYJOLPOMFY-ZDUSSCGKSA-N 0 1 296.823 3.582 20 0 CHADMN CCC[C@H](CNCc1ncc(C(C)C)s1)OCC ZINC000623598576 1117877674 /nfs/dbraw/zinc/87/76/74/1117877674.db2.gz HBXASYITDXYXNB-GFCCVEGCSA-N 0 1 270.442 3.561 20 0 CHADMN Fc1ccccc1CNc1nc2ccc(Cl)cc2[nH]1 ZINC000082739907 1117881275 /nfs/dbraw/zinc/88/12/75/1117881275.db2.gz BYAVTUNGRAQPDQ-UHFFFAOYSA-N 0 1 275.714 3.968 20 0 CHADMN Cc1nnc([C@@H](C)NCCC2CCCCCC2)s1 ZINC000348260044 1117889211 /nfs/dbraw/zinc/88/92/11/1117889211.db2.gz IPKISCCPWKBACD-LLVKDONJSA-N 0 1 267.442 3.858 20 0 CHADMN C[C@H](NCc1ccc(O)c(F)c1)c1ccc2ccccc2n1 ZINC000178526248 1117893031 /nfs/dbraw/zinc/89/30/31/1117893031.db2.gz GBCWDGKKBRLVHM-LBPRGKRZSA-N 0 1 296.345 3.930 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@@H](C)c2cnc(C)nc2C)cc1 ZINC000119376057 1117894267 /nfs/dbraw/zinc/89/42/67/1117894267.db2.gz BJFHOFNPVAUOQD-OLZOCXBDSA-N 0 1 299.418 3.904 20 0 CHADMN Cc1nsc(C)c1CN(C)Cc1ccccc1C ZINC000579310615 1128745139 /nfs/dbraw/zinc/74/51/39/1128745139.db2.gz YHUVVBQIJQYXEY-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H](CO)c1sccc1C ZINC000349418209 1117898997 /nfs/dbraw/zinc/89/89/97/1117898997.db2.gz BBFJPLNPIHQSFY-QWRGUYRKSA-N 0 1 297.445 3.511 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)N1CCC(C(=O)OC)CC1 ZINC000126954043 1117899589 /nfs/dbraw/zinc/89/95/89/1117899589.db2.gz QOBQXUMUMCBEKS-OAHLLOKOSA-N 0 1 295.810 3.676 20 0 CHADMN CC(C)CC(=O)N1CCN(CC[C@@H](C)CC(C)(C)C)CC1 ZINC001208667003 1117903462 /nfs/dbraw/zinc/90/34/62/1117903462.db2.gz WTCVBDKPTYLRAQ-MRXNPFEDSA-N 0 1 296.499 3.639 20 0 CHADMN C[C@@H](NCc1cc(F)cc(F)c1)c1ccccc1N(C)C ZINC000179399596 1117904854 /nfs/dbraw/zinc/90/48/54/1117904854.db2.gz JLRGPBDUMHTYJA-GFCCVEGCSA-N 0 1 290.357 3.882 20 0 CHADMN Cc1cccc([C@@H](N[C@@H](C)COC(C)C)c2ccccn2)c1 ZINC000375596057 1117910133 /nfs/dbraw/zinc/91/01/33/1117910133.db2.gz HBUYKFAILKQWDF-QFBILLFUSA-N 0 1 298.430 3.883 20 0 CHADMN Fc1cccc([C@@H]2CCCN2Cc2cccc3nccn32)c1 ZINC000179688693 1117910738 /nfs/dbraw/zinc/91/07/38/1117910738.db2.gz ZOUVHHNINNGQPW-KRWDZBQOSA-N 0 1 295.361 3.811 20 0 CHADMN CC[C@@H](NCc1nccnc1C)c1cc(C)ccc1C ZINC000623752733 1117919372 /nfs/dbraw/zinc/91/93/72/1117919372.db2.gz KHJNYQKLZHLGGJ-MRXNPFEDSA-N 0 1 269.392 3.643 20 0 CHADMN CC[C@H](NCc1nc(C)c[nH]1)c1cc(C)ccc1C ZINC000623752275 1117919845 /nfs/dbraw/zinc/91/98/45/1117919845.db2.gz CMUCVPWZJKIPCS-HNNXBMFYSA-N 0 1 257.381 3.576 20 0 CHADMN OCc1ccc(CN[C@H]2CCCc3ccc(Cl)cc32)o1 ZINC000623752044 1117919879 /nfs/dbraw/zinc/91/98/79/1117919879.db2.gz XKYIRCJZFIYUOD-INIZCTEOSA-N 0 1 291.778 3.593 20 0 CHADMN CC(=CC(=O)Nc1ccc2nc[nH]c2c1)c1cccs1 ZINC001625807001 1117928574 /nfs/dbraw/zinc/92/85/74/1117928574.db2.gz KJSHVYBXJFUHTJ-YFHOEESVSA-N 0 1 283.356 3.666 20 0 CHADMN CC[C@H](CC(C)C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC001625807297 1117929507 /nfs/dbraw/zinc/92/95/07/1117929507.db2.gz VWEVGCRKRXDBKB-LLVKDONJSA-N 0 1 259.353 3.574 20 0 CHADMN CCOc1ccccc1CN[C@H](C)c1ccc(Cl)nc1 ZINC000179110678 1117931765 /nfs/dbraw/zinc/93/17/65/1117931765.db2.gz NRJHXZMJOJRCPI-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN CC(C)n1ccnc1CNCC1(C(F)(F)F)CCCC1 ZINC000623788235 1117932339 /nfs/dbraw/zinc/93/23/39/1117932339.db2.gz SVOHZIGORTUMEN-UHFFFAOYSA-N 0 1 289.345 3.676 20 0 CHADMN Cc1noc(C)c1CNCc1ccccc1CC(F)(F)F ZINC000623820387 1117941330 /nfs/dbraw/zinc/94/13/30/1117941330.db2.gz WPGOWJLHLVNATE-UHFFFAOYSA-N 0 1 298.308 3.686 20 0 CHADMN FC(F)(F)Cc1ccccc1CNCc1ccoc1 ZINC000623820211 1117941660 /nfs/dbraw/zinc/94/16/60/1117941660.db2.gz OAQLYGASHSAZAA-UHFFFAOYSA-N 0 1 269.266 3.674 20 0 CHADMN Cc1ncc(CN[C@@H]2CCCc3ccc(Cl)cc32)cn1 ZINC000623832275 1117943320 /nfs/dbraw/zinc/94/33/20/1117943320.db2.gz UCXBOHHLFQBZIF-MRXNPFEDSA-N 0 1 287.794 3.606 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CCC[C@@H]1CC1CCCC1 ZINC000655367984 1117943375 /nfs/dbraw/zinc/94/33/75/1117943375.db2.gz RZWDGQYTRXIUDE-OAHLLOKOSA-N 0 1 297.402 3.748 20 0 CHADMN COc1ccc(-c2nc(CN3CC(C)=C[C@@H](C)C3)co2)cc1 ZINC000430259298 1117944596 /nfs/dbraw/zinc/94/45/96/1117944596.db2.gz ANODMOWPXCPWFH-CYBMUJFWSA-N 0 1 298.386 3.748 20 0 CHADMN FC[C@@H]1CCCN1Cc1ccc(OCC(F)(F)F)cc1 ZINC000339658727 1117948666 /nfs/dbraw/zinc/94/86/66/1117948666.db2.gz DGWDSICVRPKTPC-LBPRGKRZSA-N 0 1 291.288 3.562 20 0 CHADMN Cc1ccnc(CN2CCC[C@H]2CCCc2ccccc2)n1 ZINC000339664326 1117949937 /nfs/dbraw/zinc/94/99/37/1117949937.db2.gz ZNJKFHQFCJWBOF-GOSISDBHSA-N 0 1 295.430 3.772 20 0 CHADMN Cc1ccnc(CN2CCCC3(C2)CCCCCC3)n1 ZINC000339665182 1117950011 /nfs/dbraw/zinc/95/00/11/1117950011.db2.gz IFKMCOLWFLSANW-UHFFFAOYSA-N 0 1 273.424 3.721 20 0 CHADMN CC(C)[C@@]1(CO)CCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000339704040 1117959340 /nfs/dbraw/zinc/95/93/40/1117959340.db2.gz NPGTZDYSQYVQMX-INIZCTEOSA-N 0 1 299.817 3.710 20 0 CHADMN CC(C)[C@@]1(CO)CCCN(Cc2sccc2Cl)C1 ZINC000339700434 1117960370 /nfs/dbraw/zinc/96/03/70/1117960370.db2.gz KFGJDGALGUSKMY-AWEZNQCLSA-N 0 1 287.856 3.632 20 0 CHADMN CCC[C@H](C)N(C)Cc1ccn(C(CC)CC)n1 ZINC000533459873 1117961843 /nfs/dbraw/zinc/96/18/43/1117961843.db2.gz BBFKJPXIXFRTIL-ZDUSSCGKSA-N 0 1 251.418 3.865 20 0 CHADMN Cc1cccc([C@H](N[C@@H](CCO)c2ccco2)C(C)C)c1 ZINC000623961869 1117962189 /nfs/dbraw/zinc/96/21/89/1117962189.db2.gz QNTKNBQQLUGGRR-FUHWJXTLSA-N 0 1 287.403 3.998 20 0 CHADMN COC1(CN[C@@H]2CCCc3scnc32)CCC(C)CC1 ZINC000623975948 1117964954 /nfs/dbraw/zinc/96/49/54/1117964954.db2.gz UGZDZNJREBMABO-MFOWVQHXSA-N 0 1 294.464 3.705 20 0 CHADMN Cc1cccc([C@@H](NCc2cc(C)nc(C)n2)C(C)C)c1 ZINC000623979770 1117965322 /nfs/dbraw/zinc/96/53/22/1117965322.db2.gz LLPQTYRDPZRSTP-SFHVURJKSA-N 0 1 283.419 3.889 20 0 CHADMN CCC(=O)C(C)(C)CN1CCc2cccc(Cl)c2C1 ZINC001208920303 1117965607 /nfs/dbraw/zinc/96/56/07/1117965607.db2.gz AZLPQLWPBOBLOF-UHFFFAOYSA-N 0 1 279.811 3.703 20 0 CHADMN CC/C=C/CN[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623993137 1117966788 /nfs/dbraw/zinc/96/67/88/1117966788.db2.gz JULBOYFNCLGGNY-VZUFXWRPSA-N 0 1 269.392 3.704 20 0 CHADMN C[C@@H](NC/C=C\Cl)c1ccccc1Br ZINC000255010401 1117970880 /nfs/dbraw/zinc/97/08/80/1117970880.db2.gz SCGOZEQPRBCQJJ-WQAKUFEDSA-N 0 1 274.589 3.852 20 0 CHADMN FC(F)[C@@H](CCc1ccccc1)NCC[C@@H]1CCCOC1 ZINC000624036428 1117973638 /nfs/dbraw/zinc/97/36/38/1117973638.db2.gz LSWMCIHEIXXWJU-JKSUJKDBSA-N 0 1 297.389 3.659 20 0 CHADMN Cc1c(F)cccc1-c1ccc(CN[C@@H](C)c2cn[nH]c2)o1 ZINC000339791690 1117975699 /nfs/dbraw/zinc/97/56/99/1117975699.db2.gz ZGKKGOHEORCEMR-LBPRGKRZSA-N 0 1 299.349 3.968 20 0 CHADMN CCCCN(Cc1ncnn1C(C)C)C1CCCCC1 ZINC000339797207 1117976909 /nfs/dbraw/zinc/97/69/09/1117976909.db2.gz YVVKCSNQYFNBPV-UHFFFAOYSA-N 0 1 278.444 3.794 20 0 CHADMN Fc1cccc([C@H]2CCCN2CCCOC(F)(F)F)c1 ZINC001167094137 1117983024 /nfs/dbraw/zinc/98/30/24/1117983024.db2.gz FHSZUGCKZONIKQ-CYBMUJFWSA-N 0 1 291.288 3.889 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2CC(C)=C[C@@H](C)C2)cc1C ZINC000430276925 1117983225 /nfs/dbraw/zinc/98/32/25/1117983225.db2.gz DQSDWWYGFDRSDH-WBMJQRKESA-N 0 1 286.419 3.528 20 0 CHADMN C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(Cl)c1[O-] ZINC000179575827 1128748135 /nfs/dbraw/zinc/74/81/35/1128748135.db2.gz MWZMKGLRDFWTAC-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN COc1ccccc1C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000179559666 1128748297 /nfs/dbraw/zinc/74/82/97/1128748297.db2.gz YWLNTXIVXHSMGA-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN Cc1ncccc1CN[C@H]1CCc2cc(F)c(Cl)cc21 ZINC000624164294 1117991819 /nfs/dbraw/zinc/99/18/19/1117991819.db2.gz CJOGYWGYLZTGOW-INIZCTEOSA-N 0 1 290.769 3.960 20 0 CHADMN C[C@H](Cc1ccco1)NCc1c(F)ccc(F)c1Cl ZINC000705538378 1117992208 /nfs/dbraw/zinc/99/22/08/1117992208.db2.gz JTVKXDQCXHEWEL-SECBINFHSA-N 0 1 285.721 3.932 20 0 CHADMN Cc1cccc(CNCc2cc(C)cnc2Cl)c1 ZINC000921510232 1117992846 /nfs/dbraw/zinc/99/28/46/1117992846.db2.gz PZRWWXIBMBSNBH-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN CCCCC[N@@H+](Cc1nc(N)c2ccccc2n1)C(C)C ZINC000181090633 1117994430 /nfs/dbraw/zinc/99/44/30/1117994430.db2.gz FXKUSDMNIVRNTO-UHFFFAOYSA-N 0 1 286.423 3.613 20 0 CHADMN Fc1cccc(F)c1CCCSc1nc(C2CC2)n[nH]1 ZINC000655472837 1117998254 /nfs/dbraw/zinc/99/82/54/1117998254.db2.gz DAWIALGHVHRMFZ-UHFFFAOYSA-N 0 1 295.358 3.685 20 0 CHADMN Fc1cccc(F)c1CCCSc1n[nH]c(C2CC2)n1 ZINC000655472837 1117998258 /nfs/dbraw/zinc/99/82/58/1117998258.db2.gz DAWIALGHVHRMFZ-UHFFFAOYSA-N 0 1 295.358 3.685 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H](C)c1ccoc1 ZINC000181401949 1117998762 /nfs/dbraw/zinc/99/87/62/1117998762.db2.gz YEWZVSJMRADZFM-NEPJUHHUSA-N 0 1 275.396 3.951 20 0 CHADMN Cc1cc(C)cc(OCCCN2CCn3cccc3[C@@H]2C)c1 ZINC000510154295 1118000581 /nfs/dbraw/zinc/00/05/81/1118000581.db2.gz IDFCNJQXCFMFRI-KRWDZBQOSA-N 0 1 298.430 3.951 20 0 CHADMN CCc1c2cc(C)ccc2oc1[C@@H](C)NCc1cnn(C)c1 ZINC000181558341 1118001105 /nfs/dbraw/zinc/00/11/05/1118001105.db2.gz FGQCTLYKFUBDLP-CYBMUJFWSA-N 0 1 297.402 3.888 20 0 CHADMN CC[C@@H]1CCN(Cc2c(F)ccc(OC)c2Cl)C1 ZINC001143377145 1118002303 /nfs/dbraw/zinc/00/23/03/1118002303.db2.gz PSAVBWOWAGOTSU-SNVBAGLBSA-N 0 1 271.763 3.720 20 0 CHADMN C[C@H](CO)C1CCN([C@@H](C)c2cccc(Cl)c2F)CC1 ZINC000649798910 1118007346 /nfs/dbraw/zinc/00/73/46/1118007346.db2.gz KSJAZIOMRXSEAO-NEPJUHHUSA-N 0 1 299.817 3.881 20 0 CHADMN Cc1cc(F)ccc1CSc1nc(C(C)(C)C)n[nH]1 ZINC000181973630 1118010125 /nfs/dbraw/zinc/01/01/25/1118010125.db2.gz SKXVSDWLJUYHHR-UHFFFAOYSA-N 0 1 279.384 3.842 20 0 CHADMN Cc1cc(F)ccc1CSc1n[nH]c(C(C)(C)C)n1 ZINC000181973630 1118010131 /nfs/dbraw/zinc/01/01/31/1118010131.db2.gz SKXVSDWLJUYHHR-UHFFFAOYSA-N 0 1 279.384 3.842 20 0 CHADMN C[C@@H](C[NH2+]Cc1cccc([O-])c1Cl)C(C)(C)C ZINC000383195986 1118011543 /nfs/dbraw/zinc/01/15/43/1118011543.db2.gz SZLFEIJCXNULCQ-JTQLQIEISA-N 0 1 255.789 3.817 20 0 CHADMN CC[C@H](NCc1cncc(C)c1)c1cc(F)ccc1OC ZINC000932470747 1118017511 /nfs/dbraw/zinc/01/75/11/1118017511.db2.gz BZKPKQNKDOOAPU-INIZCTEOSA-N 0 1 288.366 3.779 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)c1cc(C)c(C)cn1 ZINC001167107813 1118023212 /nfs/dbraw/zinc/02/32/12/1118023212.db2.gz ZGYBQGDWXZEEHX-CQSZACIVSA-N 0 1 270.376 3.904 20 0 CHADMN Cc1cc([C@@H](C)NCc2cc(C)ccn2)c(C)s1 ZINC000328038983 1118025175 /nfs/dbraw/zinc/02/51/75/1118025175.db2.gz WXTCYSYJJZHFQR-GFCCVEGCSA-N 0 1 260.406 3.919 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2ccc(F)nc2)cc1 ZINC000779147561 1128750648 /nfs/dbraw/zinc/75/06/48/1128750648.db2.gz BEBWBFYXAQZBRF-MRXNPFEDSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@@H]1CCC[C@@H](C)C1NCc1noc(-c2ccsc2)n1 ZINC000182716706 1118027998 /nfs/dbraw/zinc/02/79/98/1118027998.db2.gz QVCGDYRFOUDVRV-GHMZBOCLSA-N 0 1 291.420 3.712 20 0 CHADMN CC[C@H](NCc1cccc2ccccc21)c1nccn1C ZINC000182681169 1118028286 /nfs/dbraw/zinc/02/82/86/1118028286.db2.gz GBIYSOQGJAQTGD-KRWDZBQOSA-N 0 1 279.387 3.814 20 0 CHADMN Cc1nc(C(C)C)sc1[C@H](C)NCc1ccc[nH]c1=O ZINC000624258264 1118031367 /nfs/dbraw/zinc/03/13/67/1118031367.db2.gz FDGYGCCUHPQUGU-JTQLQIEISA-N 0 1 291.420 3.526 20 0 CHADMN CCSc1ccccc1[C@H](C)NCc1ccc[nH]c1=O ZINC000624258742 1118032020 /nfs/dbraw/zinc/03/20/20/1118032020.db2.gz SDXJZIAZUWUQDF-LBPRGKRZSA-N 0 1 288.416 3.750 20 0 CHADMN Cc1cccc(-c2noc([C@@H]3CCN3C3CCCC3)n2)c1 ZINC000923771692 1118033133 /nfs/dbraw/zinc/03/31/33/1118033133.db2.gz DBFKVINQAPBCIV-HNNXBMFYSA-N 0 1 283.375 3.734 20 0 CHADMN CC[C@H](N[C@@H]1COc2ccc(C)cc21)c1ccncc1 ZINC000579557156 1128751287 /nfs/dbraw/zinc/75/12/87/1128751287.db2.gz ZLZJHOCINHGAIG-JKSUJKDBSA-N 0 1 268.360 3.564 20 0 CHADMN Cc1cc([C@@H](C)NCC(=O)N(C(C)C)C(C)C)c(C)s1 ZINC000182979554 1118034699 /nfs/dbraw/zinc/03/46/99/1118034699.db2.gz AGRNZQAJAJAFKD-CYBMUJFWSA-N 0 1 296.480 3.661 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1ccccc1C)CCO2 ZINC000037719099 1118035937 /nfs/dbraw/zinc/03/59/37/1118035937.db2.gz FLVZNYHPEKVXIR-QGZVFWFLSA-N 0 1 283.371 3.617 20 0 CHADMN CCSCCN[C@H](c1ccccc1)c1ccccn1 ZINC000363235874 1118040863 /nfs/dbraw/zinc/04/08/63/1118040863.db2.gz FLGHZHYFMOJKSQ-MRXNPFEDSA-N 0 1 272.417 3.514 20 0 CHADMN Cc1cccc(CNCc2cc(Br)cs2)n1 ZINC000048329765 1118041715 /nfs/dbraw/zinc/04/17/15/1118041715.db2.gz MHTICFXWHRYIPZ-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN CN(Cc1c(C2CC2)nc2sccn12)Cc1ccccc1 ZINC000183369546 1118043369 /nfs/dbraw/zinc/04/33/69/1118043369.db2.gz TURKBEYQHFARTH-UHFFFAOYSA-N 0 1 297.427 3.905 20 0 CHADMN C[C@@H]1C[C@@H]1C[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC001209420543 1118044668 /nfs/dbraw/zinc/04/46/68/1118044668.db2.gz JOFXTOMFKZJQIH-ZYHUDNBSSA-N 0 1 269.310 3.720 20 0 CHADMN C[C@@H]1C[C@@H]1CN1CCc2ccc(C(F)(F)F)cc2C1 ZINC001209420543 1118044675 /nfs/dbraw/zinc/04/46/75/1118044675.db2.gz JOFXTOMFKZJQIH-ZYHUDNBSSA-N 0 1 269.310 3.720 20 0 CHADMN CN(C/C=C/c1ccc(Cl)cc1)Cc1cccnc1 ZINC000183660972 1118047391 /nfs/dbraw/zinc/04/73/91/1118047391.db2.gz NKGGXTKDLGEBIX-HWKANZROSA-N 0 1 272.779 3.880 20 0 CHADMN C[C@]1(CN[C@H](c2ccco2)c2ccccc2)CCCC[C@@H]1O ZINC000183697727 1118047476 /nfs/dbraw/zinc/04/74/76/1118047476.db2.gz SFJIPNPNMKFRDU-GBESFXJTSA-N 0 1 299.414 3.900 20 0 CHADMN CC(C)c1cnc(CN[C@@H]2CC(C)(C)OC2(C)C)s1 ZINC000184113420 1118051151 /nfs/dbraw/zinc/05/11/51/1118051151.db2.gz MGOUMSUUKIFAJP-GFCCVEGCSA-N 0 1 282.453 3.702 20 0 CHADMN CCN(Cc1coc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000046059090 1118053662 /nfs/dbraw/zinc/05/36/62/1118053662.db2.gz IEKKXCQLXRMSQS-UHFFFAOYSA-N 0 1 276.767 3.979 20 0 CHADMN Cc1cc(CNCc2ccc(F)c(F)c2)ccc1F ZINC000049943382 1118055740 /nfs/dbraw/zinc/05/57/40/1118055740.db2.gz MBHKICPGEUHABK-UHFFFAOYSA-N 0 1 265.278 3.702 20 0 CHADMN Cc1ccccc1[C@H](C)CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184544057 1118056289 /nfs/dbraw/zinc/05/62/89/1118056289.db2.gz XZUQFMQNPICSEN-GFCCVEGCSA-N 0 1 298.390 3.513 20 0 CHADMN Cc1ccccc1[C@H](C)CC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184544057 1118056294 /nfs/dbraw/zinc/05/62/94/1118056294.db2.gz XZUQFMQNPICSEN-GFCCVEGCSA-N 0 1 298.390 3.513 20 0 CHADMN Clc1ccccc1CN[C@@H](c1cccnc1)C1CC1 ZINC000340101859 1118063175 /nfs/dbraw/zinc/06/31/75/1118063175.db2.gz BVBWWMFXPNEOMY-MRXNPFEDSA-N 0 1 272.779 3.976 20 0 CHADMN Fc1ccc(CN[C@@H](c2cccnc2)C2CC2)cc1F ZINC000340108045 1118067328 /nfs/dbraw/zinc/06/73/28/1118067328.db2.gz HGARSWBLXZSSRJ-MRXNPFEDSA-N 0 1 274.314 3.601 20 0 CHADMN Cc1ccc2sc(NCc3cnc(C)cc3C)nc2c1 ZINC000397121656 1118069633 /nfs/dbraw/zinc/06/96/33/1118069633.db2.gz ZGMYJTAKKLEULJ-UHFFFAOYSA-N 0 1 283.400 3.651 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccc(C(C)(C)C)cc1 ZINC000071736862 1118070486 /nfs/dbraw/zinc/07/04/86/1118070486.db2.gz AOVKJYVNZPZBEZ-UHFFFAOYSA-N 0 1 291.435 3.917 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1ccc(Br)o1 ZINC000306623452 1118076950 /nfs/dbraw/zinc/07/69/50/1118076950.db2.gz DRWJRSPCMFZBGE-VHSXEESVSA-N 0 1 272.186 3.805 20 0 CHADMN COc1cncc(CNC(C)(C)c2ccc(C(C)C)cc2)n1 ZINC000625253456 1118077689 /nfs/dbraw/zinc/07/76/89/1118077689.db2.gz PRPSWYSPPWAKFG-UHFFFAOYSA-N 0 1 299.418 3.634 20 0 CHADMN CCN(Cc1ccc(F)nc1)[C@@H](C)c1ccc(F)cc1 ZINC000779154926 1128754281 /nfs/dbraw/zinc/75/42/81/1128754281.db2.gz ZZDAVYXKDBLDHD-LBPRGKRZSA-N 0 1 276.330 3.943 20 0 CHADMN CC[C@@H](C(=O)O[C@H](C)c1ccc(F)c(F)c1)N(CC)CC ZINC000764344130 1118085581 /nfs/dbraw/zinc/08/55/81/1118085581.db2.gz DUAUQMCGIQYJOJ-ABAIWWIYSA-N 0 1 299.361 3.689 20 0 CHADMN C[C@H](c1ccccc1)N(Cc1ccc(F)nc1)C1CC1 ZINC000779154317 1128755141 /nfs/dbraw/zinc/75/51/41/1128755141.db2.gz QHFLIICBLMEUSP-CYBMUJFWSA-N 0 1 270.351 3.946 20 0 CHADMN C[C@H]1CCN(Cc2csc(C3CC3)n2)C[C@H](C)C1 ZINC000340172541 1118096520 /nfs/dbraw/zinc/09/65/20/1118096520.db2.gz BKXPIYRDMYBRID-NWDGAFQWSA-N 0 1 264.438 3.889 20 0 CHADMN CCCc1ccc(CN2C[C@@H](C)OC(C)(C)C2)cc1 ZINC001167218802 1118103255 /nfs/dbraw/zinc/10/32/55/1118103255.db2.gz SDXRISDAYQMELD-CQSZACIVSA-N 0 1 261.409 3.638 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CCC[C@@H](C)CC1 ZINC000340214421 1118112364 /nfs/dbraw/zinc/11/23/64/1118112364.db2.gz MPGOUPSPKUADDU-CYBMUJFWSA-N 0 1 289.398 3.817 20 0 CHADMN CC[C@H]1C[C@H](C)CN1Cc1ccc(Br)o1 ZINC000306944086 1118113355 /nfs/dbraw/zinc/11/33/55/1118113355.db2.gz JIARLWFBUJFDPS-UWVGGRQHSA-N 0 1 272.186 3.663 20 0 CHADMN C[C@H](NCCC1CCCCCC1)c1csnn1 ZINC000398302623 1118122916 /nfs/dbraw/zinc/12/29/16/1118122916.db2.gz NPCMJPWGOOYUHS-NSHDSACASA-N 0 1 253.415 3.549 20 0 CHADMN C[C@@H](NCc1cc(Br)cs1)c1ccoc1 ZINC000087290305 1118132934 /nfs/dbraw/zinc/13/29/34/1118132934.db2.gz QAMPXAMIKKXEJI-MRVPVSSYSA-N 0 1 286.194 3.954 20 0 CHADMN CC(C)Oc1cccc(CN[C@H](C)c2ccoc2)c1 ZINC000765096189 1118134890 /nfs/dbraw/zinc/13/48/90/1118134890.db2.gz WBBYEDYXCNFGJG-CYBMUJFWSA-N 0 1 259.349 3.918 20 0 CHADMN CC[C@H](C)CN1CCc2c(Br)cccc2C1 ZINC001167279220 1118143567 /nfs/dbraw/zinc/14/35/67/1118143567.db2.gz JHQGTNRYFQDELG-NSHDSACASA-N 0 1 282.225 3.853 20 0 CHADMN Cc1cccc(-c2noc([C@H]3CCCN3C(C)C)n2)c1F ZINC000924044575 1118148700 /nfs/dbraw/zinc/14/87/00/1118148700.db2.gz JQWZOYJZISZGCH-CYBMUJFWSA-N 0 1 289.354 3.729 20 0 CHADMN CC(C)n1cc([C@H](C)NCc2nccc3ccccc32)cn1 ZINC000765401768 1118149226 /nfs/dbraw/zinc/14/92/26/1118149226.db2.gz CFBWSORKZPRQKA-AWEZNQCLSA-N 0 1 294.402 3.863 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000124576566 1118154761 /nfs/dbraw/zinc/15/47/61/1118154761.db2.gz IEUJEVGLAKYUDD-CQSZACIVSA-N 0 1 289.419 3.959 20 0 CHADMN CC[C@H](NCc1cnn(C2CCC2)c1)c1ccccc1OC ZINC000921525575 1118157599 /nfs/dbraw/zinc/15/75/99/1118157599.db2.gz UMMNDMMXEXMFQY-KRWDZBQOSA-N 0 1 299.418 3.858 20 0 CHADMN CCc1ccc(C(=O)Nc2ccc3nc(C)[nH]c3c2)cc1 ZINC000010896107 1118159702 /nfs/dbraw/zinc/15/97/02/1118159702.db2.gz KEQIAMUSKPWQBX-UHFFFAOYSA-N 0 1 279.343 3.686 20 0 CHADMN Cc1nc2ccc(NC(=O)c3ccc4c(c3)CCC4)cc2[nH]1 ZINC000010896260 1118159921 /nfs/dbraw/zinc/15/99/21/1118159921.db2.gz KLDLGNRBQIYABK-UHFFFAOYSA-N 0 1 291.354 3.612 20 0 CHADMN CC(C)c1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000011232398 1118161574 /nfs/dbraw/zinc/16/15/74/1118161574.db2.gz WCXFQCHTWIAWBH-UHFFFAOYSA-N 0 1 274.408 3.625 20 0 CHADMN O=C(Nc1cccc(F)c1)c1cn[nH]c1-c1ccc(F)cc1 ZINC000014207732 1118164381 /nfs/dbraw/zinc/16/43/81/1118164381.db2.gz BQFAZJHREVWUSZ-UHFFFAOYSA-N 0 1 299.280 3.607 20 0 CHADMN CCc1[nH]ncc1C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 ZINC000683494671 1118166951 /nfs/dbraw/zinc/16/69/51/1118166951.db2.gz PXGVHNHQMANAHI-CQSZACIVSA-N 0 1 297.402 3.762 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1[C@H](C)CCC[C@@H]1C ZINC000015467123 1118166927 /nfs/dbraw/zinc/16/69/27/1118166927.db2.gz VQMCOTFBWDEGKC-BETUJISGSA-N 0 1 294.826 3.850 20 0 CHADMN Cc1nccc(NCc2cccc(C(F)(F)F)c2C)c1F ZINC001168543391 1118169696 /nfs/dbraw/zinc/16/96/96/1118169696.db2.gz PBISVEZTPCUUAP-UHFFFAOYSA-N 0 1 298.283 3.890 20 0 CHADMN CC[C@@H]1CCCCN1CC(=O)Nc1c(C)cccc1C ZINC000023991218 1118180607 /nfs/dbraw/zinc/18/06/07/1118180607.db2.gz UZQFINUQQZMKFA-OAHLLOKOSA-N 0 1 274.408 3.506 20 0 CHADMN Cc1ccc([C@@H](N[C@H]2CCCn3ccnc32)C2CC2)cc1 ZINC000655687341 1118182722 /nfs/dbraw/zinc/18/27/22/1118182722.db2.gz XZYFXZQVCSGWCD-DLBZAZTESA-N 0 1 281.403 3.767 20 0 CHADMN C[C@@H]1C[C@@H](NCC2(C(F)(F)F)CCCC2)c2nccn21 ZINC000624272812 1118184266 /nfs/dbraw/zinc/18/42/66/1118184266.db2.gz QLLYWWXSYBPVES-GHMZBOCLSA-N 0 1 287.329 3.601 20 0 CHADMN c1ccc2c(CCOc3ccnc4c3CCCC4)noc2c1 ZINC000655701170 1118186386 /nfs/dbraw/zinc/18/63/86/1118186386.db2.gz AKOCFNZZGGFOLS-UHFFFAOYSA-N 0 1 294.354 3.723 20 0 CHADMN CC[C@@H](N[C@@H]1CCCn2ccnc21)c1ccc(C)cc1 ZINC000655694099 1118186720 /nfs/dbraw/zinc/18/67/20/1118186720.db2.gz ZLUCTDDNVRCMKQ-HZPDHXFCSA-N 0 1 269.392 3.767 20 0 CHADMN Cc1cccc([C@H](C)N[C@H]2CCCn3ccnc32)c1C ZINC000655714677 1118191901 /nfs/dbraw/zinc/19/19/01/1118191901.db2.gz CRIMLHIJZHNENX-HOCLYGCPSA-N 0 1 269.392 3.686 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2csc(-c3ccco3)n2)CS1 ZINC000655724061 1118193021 /nfs/dbraw/zinc/19/30/21/1118193021.db2.gz RPHMMIKCVVYQMZ-GHMZBOCLSA-N 0 1 294.445 3.777 20 0 CHADMN CC(C)c1csc(CN[C@@H]2CC[C@@H](C)SC2)n1 ZINC000655723344 1118194018 /nfs/dbraw/zinc/19/40/18/1118194018.db2.gz JQFGATHRANISAR-GHMZBOCLSA-N 0 1 270.467 3.640 20 0 CHADMN FC[C@@H](NC1CC(CF)(CF)C1)c1ccc(F)cc1 ZINC000631797780 1118196385 /nfs/dbraw/zinc/19/63/85/1118196385.db2.gz HAVQMWBRVPHNNZ-CYBMUJFWSA-N 0 1 275.289 3.514 20 0 CHADMN Cc1csc([C@H](C)NCc2cccc3ncccc23)n1 ZINC000634687314 1118199715 /nfs/dbraw/zinc/19/97/15/1118199715.db2.gz GHRZMOVKRDKCFB-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1cccc(C2(N[C@H]3CCCn4ccnc43)CCC2)c1 ZINC000655779851 1118209967 /nfs/dbraw/zinc/20/99/67/1118209967.db2.gz SNHQUYDFDWNAFH-INIZCTEOSA-N 0 1 281.403 3.695 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCc3cccnc3)n2)o1 ZINC000027816136 1118211803 /nfs/dbraw/zinc/21/18/03/1118211803.db2.gz HFWBNAAPXQHKRJ-VOTSOKGWSA-N 0 1 298.371 3.564 20 0 CHADMN CC[C@H](N[C@@H](C)c1cncnc1C)c1ccccc1F ZINC000655789948 1118214206 /nfs/dbraw/zinc/21/42/06/1118214206.db2.gz BWDDLMXDXQSVDF-LRDDRELGSA-N 0 1 273.355 3.726 20 0 CHADMN CN(CC1CCCCC1)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000029367558 1118214948 /nfs/dbraw/zinc/21/49/48/1118214948.db2.gz KPFNVCZJOUBPTQ-UHFFFAOYSA-N 0 1 297.402 3.729 20 0 CHADMN COc1c(C)cccc1CN[C@@H]1CCCc2ccc(O)cc21 ZINC000655812880 1118222746 /nfs/dbraw/zinc/22/27/46/1118222746.db2.gz SSUUIZFQROTXPH-GOSISDBHSA-N 0 1 297.398 3.876 20 0 CHADMN Fc1cc(NCc2[nH]nc3ccccc32)cc(F)c1F ZINC000671673585 1118224009 /nfs/dbraw/zinc/22/40/09/1118224009.db2.gz MBRRZNLAOGWDSA-UHFFFAOYSA-N 0 1 277.249 3.592 20 0 CHADMN Cc1cccc(CN[C@H](c2ccc(F)cc2)C2CC2)n1 ZINC000051575496 1118224645 /nfs/dbraw/zinc/22/46/45/1118224645.db2.gz JRRGOFIHBLQDDB-KRWDZBQOSA-N 0 1 270.351 3.770 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1ccnn1C1CCC1 ZINC000921622238 1118230313 /nfs/dbraw/zinc/23/03/13/1118230313.db2.gz UQUFHPKDOLWVFQ-AWEZNQCLSA-N 0 1 299.418 3.858 20 0 CHADMN CCn1nc(-c2nc3cccc(C)c3[nH]2)c2ccccc21 ZINC000471437284 1118235226 /nfs/dbraw/zinc/23/52/26/1118235226.db2.gz RQGYLDALKKNICT-UHFFFAOYSA-N 0 1 276.343 3.908 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(F)cc2)cc1F ZINC000042366525 1118236139 /nfs/dbraw/zinc/23/61/39/1118236139.db2.gz LOIXKKWXJGRKPV-UHFFFAOYSA-N 0 1 277.314 3.605 20 0 CHADMN C=Cc1ccc(CNc2cc(C)c3nc[nH]c3n2)cc1 ZINC001168574066 1118237031 /nfs/dbraw/zinc/23/70/31/1118237031.db2.gz GGZGVIDDDQTYRR-UHFFFAOYSA-N 0 1 264.332 3.521 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nnc(-c2cccc(F)c2)o1 ZINC000075616170 1128764496 /nfs/dbraw/zinc/76/44/96/1128764496.db2.gz WOMANGVTNDHXAK-CQSZACIVSA-N 0 1 289.354 3.640 20 0 CHADMN CC[C@H](NCc1ncc(C(C)C)s1)[C@H]1CCCCO1 ZINC000655856927 1118246563 /nfs/dbraw/zinc/24/65/63/1118246563.db2.gz QXHRHDSDMRAKIP-QWHCGFSZSA-N 0 1 282.453 3.704 20 0 CHADMN CCc1noc(C)c1CN[C@H]1c2cc(F)ccc2C[C@H]1C ZINC000340441654 1118251638 /nfs/dbraw/zinc/25/16/38/1118251638.db2.gz HBJGRPMLWHCKRY-BMLIUANNSA-N 0 1 288.366 3.708 20 0 CHADMN CC(C)CN(C)Cc1csc(C2CCCC2)n1 ZINC000063995159 1118322580 /nfs/dbraw/zinc/32/25/80/1118322580.db2.gz USRKGTDIDAZQBJ-UHFFFAOYSA-N 0 1 252.427 3.889 20 0 CHADMN C[C@@H]1CSCCN1Cc1cc(Cl)nc2ccccc12 ZINC000189029497 1128766632 /nfs/dbraw/zinc/76/66/32/1128766632.db2.gz XZYHEFBRKPSRDT-LLVKDONJSA-N 0 1 292.835 3.826 20 0 CHADMN COc1cc(CNCc2cc(C)cc(Cl)n2)ccc1C ZINC000282170101 1118274076 /nfs/dbraw/zinc/27/40/76/1118274076.db2.gz YNVJCLXIFGASSE-UHFFFAOYSA-N 0 1 290.794 3.650 20 0 CHADMN Cc1ccccc1C[C@H](C)N(C)Cc1noc2c1CCCC2 ZINC000683678517 1118276090 /nfs/dbraw/zinc/27/60/90/1118276090.db2.gz NLAQEAOTRHREPQ-HNNXBMFYSA-N 0 1 298.430 3.925 20 0 CHADMN CN(CCOc1ccc(Cl)cc1)CCC(F)(F)F ZINC000057594943 1118281842 /nfs/dbraw/zinc/28/18/42/1118281842.db2.gz BGBHHDAMRISRMK-UHFFFAOYSA-N 0 1 281.705 3.603 20 0 CHADMN Cc1ccccc1-c1nc(=NC[C@H](C)CC(F)F)s[nH]1 ZINC000624329166 1118284366 /nfs/dbraw/zinc/28/43/66/1118284366.db2.gz NXKBTRVPCHSIPZ-SECBINFHSA-N 0 1 297.374 3.639 20 0 CHADMN CCc1ccccc1CNCc1cnn(-c2ccccc2)c1 ZINC000077901696 1118285536 /nfs/dbraw/zinc/28/55/36/1118285536.db2.gz BAIAVCLDTDRZTF-UHFFFAOYSA-N 0 1 291.398 3.725 20 0 CHADMN CCc1ccccc1CNCc1cccc(OC)c1OC ZINC000077901791 1118285854 /nfs/dbraw/zinc/28/58/54/1118285854.db2.gz GTZNPRXGZCJOFW-UHFFFAOYSA-N 0 1 285.387 3.556 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N1CCC[C@H]1c1ccsc1 ZINC000058278604 1118287013 /nfs/dbraw/zinc/28/70/13/1118287013.db2.gz PSPQEJADAVNGRW-HNNXBMFYSA-N 0 1 297.383 3.602 20 0 CHADMN Clc1ccc(CN[C@@H]2CCCNc3ccccc32)o1 ZINC000683692875 1118289356 /nfs/dbraw/zinc/28/93/56/1118289356.db2.gz WYQXINYUWOMSQP-CQSZACIVSA-N 0 1 276.767 3.970 20 0 CHADMN CCN(Cc1noc(-c2ccccc2)n1)C1CCCCC1 ZINC000047825246 1118292535 /nfs/dbraw/zinc/29/25/35/1118292535.db2.gz HACQDXTVKCEDLN-UHFFFAOYSA-N 0 1 285.391 3.891 20 0 CHADMN CC[C@H](NC[C@@H]1CCC2(CCCC2)O1)c1nccs1 ZINC000229292760 1118293750 /nfs/dbraw/zinc/29/37/50/1118293750.db2.gz ORRLGUJHHYCFJF-STQMWFEESA-N 0 1 280.437 3.676 20 0 CHADMN CCc1ccc(-c2noc([C@@H]3CCCCCN3)n2)cc1 ZINC000080989000 1118306835 /nfs/dbraw/zinc/30/68/35/1118306835.db2.gz JNOMKBNBPPFZEM-AWEZNQCLSA-N 0 1 271.364 3.504 20 0 CHADMN CCc1ccc(-c2noc(CN3CCC[C@@H](C)C3)n2)cc1 ZINC000061757260 1118307597 /nfs/dbraw/zinc/30/75/97/1118307597.db2.gz ZAWUYCGEFHHWGD-CYBMUJFWSA-N 0 1 285.391 3.531 20 0 CHADMN CCOc1ccccc1CN(C)Cc1ccc(F)cc1 ZINC000061779199 1118309331 /nfs/dbraw/zinc/30/93/31/1118309331.db2.gz DNZRIMLIFNUIIM-UHFFFAOYSA-N 0 1 273.351 3.856 20 0 CHADMN CCCN(CC(=O)N(CCC)CCC)Cc1ccccc1 ZINC000061780723 1118310150 /nfs/dbraw/zinc/31/01/50/1118310150.db2.gz SBCHUOOJPCAQIA-UHFFFAOYSA-N 0 1 290.451 3.547 20 0 CHADMN O=C(CC1CCC1)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000340513620 1118314226 /nfs/dbraw/zinc/31/42/26/1118314226.db2.gz ZRKKPYPFJKTIII-UHFFFAOYSA-N 0 1 295.342 3.952 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2C[C@@H]1C)c1ccncc1F ZINC000340517528 1118314705 /nfs/dbraw/zinc/31/47/05/1118314705.db2.gz CJMQQHMDJMWQBW-PRXAMGSTSA-N 0 1 270.351 3.805 20 0 CHADMN C[C@@H]1CC(C)(C)CC[C@@H]1NCc1ncn(-c2ccccc2)n1 ZINC000340524810 1118317049 /nfs/dbraw/zinc/31/70/49/1118317049.db2.gz KSQITGTYTZBGOV-ZBFHGGJFSA-N 0 1 298.434 3.572 20 0 CHADMN Fc1ccc2nc(-c3ccc4cnccc4c3)[nH]c2c1 ZINC000683728346 1118318470 /nfs/dbraw/zinc/31/84/70/1118318470.db2.gz AWIHBIIZIUAGBV-UHFFFAOYSA-N 0 1 263.275 3.917 20 0 CHADMN CCC[C@@H](C)[C@H](CC)NCc1ncn(-c2ccccc2)n1 ZINC000340531048 1118321918 /nfs/dbraw/zinc/32/19/18/1118321918.db2.gz RSXJJIPXWFWBSM-ZBFHGGJFSA-N 0 1 286.423 3.572 20 0 CHADMN CCC[C@H](C)[C@@H](CC)NCc1ncn(-c2ccccc2)n1 ZINC000340531044 1118322361 /nfs/dbraw/zinc/32/23/61/1118322361.db2.gz RSXJJIPXWFWBSM-GOEBONIOSA-N 0 1 286.423 3.572 20 0 CHADMN Cc1c(F)cccc1CN1CC[C@@H]1COCc1ccccc1 ZINC001204512406 1118326882 /nfs/dbraw/zinc/32/68/82/1118326882.db2.gz HORPINMDERWKCQ-GOSISDBHSA-N 0 1 299.389 3.925 20 0 CHADMN Cc1scc(CNCc2cccc(F)c2F)c1C ZINC000399824035 1118326920 /nfs/dbraw/zinc/32/69/20/1118326920.db2.gz HRISVOPKHOAFHZ-UHFFFAOYSA-N 0 1 267.344 3.933 20 0 CHADMN C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1cccc(F)c1N ZINC000639229277 1118328707 /nfs/dbraw/zinc/32/87/07/1118328707.db2.gz UKJSEVAQZFGTAS-ONGXEEELSA-N 0 1 290.304 3.571 20 0 CHADMN COCC[N@@H+](Cc1ccco1)Cc1c(C)cc(C)cc1C ZINC000064952066 1118329833 /nfs/dbraw/zinc/32/98/33/1118329833.db2.gz PGPYHWUBUSYOOC-UHFFFAOYSA-N 0 1 287.403 3.853 20 0 CHADMN COCCN(Cc1ccco1)Cc1c(C)cc(C)cc1C ZINC000064952066 1118329839 /nfs/dbraw/zinc/32/98/39/1118329839.db2.gz PGPYHWUBUSYOOC-UHFFFAOYSA-N 0 1 287.403 3.853 20 0 CHADMN Cc1ccc(CNCc2ccc3[nH]c(C)c(C)c3c2)o1 ZINC000065013604 1118329889 /nfs/dbraw/zinc/32/98/89/1118329889.db2.gz SZYJRFLUMFUUEK-UHFFFAOYSA-N 0 1 268.360 3.976 20 0 CHADMN Fc1cccnc1CN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001207033722 1118330879 /nfs/dbraw/zinc/33/08/79/1118330879.db2.gz GJWIVXMRGVWRJT-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1cccc([C@@H](C)N[C@H](CO)c2cccc(F)c2)c1C ZINC000539084005 1118331813 /nfs/dbraw/zinc/33/18/13/1118331813.db2.gz CKTVNZAFXDITRP-RDTXWAMCSA-N 0 1 287.378 3.827 20 0 CHADMN CCCC[C@@H](C)[C@H](C)NCc1ncn(-c2ccccc2)n1 ZINC000340540568 1118337785 /nfs/dbraw/zinc/33/77/85/1118337785.db2.gz GYGDVBMIDVJGSK-CABCVRRESA-N 0 1 286.423 3.572 20 0 CHADMN Oc1ccc(-c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)cc1Cl ZINC000656047107 1118339775 /nfs/dbraw/zinc/33/97/75/1118339775.db2.gz DTWQVCNLKYMSRA-IEBDPFPHSA-N 0 1 290.750 3.999 20 0 CHADMN COc1ccc(-c2nc(CN(C)CC(C)C)cs2)cc1 ZINC000065961476 1118340858 /nfs/dbraw/zinc/34/08/58/1118340858.db2.gz XXGFIIBOVCRRRX-UHFFFAOYSA-N 0 1 290.432 3.907 20 0 CHADMN Cc1ccccc1CC1CN(Cc2cc(C3CC3)no2)C1 ZINC000639250530 1118356282 /nfs/dbraw/zinc/35/62/82/1118356282.db2.gz TVEMWLUYIYRCGA-UHFFFAOYSA-N 0 1 282.387 3.535 20 0 CHADMN C[C@H](NCc1coc2ccccc12)c1cccnc1 ZINC000083601731 1118356533 /nfs/dbraw/zinc/35/65/33/1118356533.db2.gz ISCPHLPTWOCTQM-LBPRGKRZSA-N 0 1 252.317 3.679 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2cccc(Cl)n2)c1 ZINC000180686975 1118357058 /nfs/dbraw/zinc/35/70/58/1118357058.db2.gz FOPLKZOMJAKRNQ-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN Clc1ccccc1C[C@H]1CCCN1Cc1ccno1 ZINC000067968526 1118358253 /nfs/dbraw/zinc/35/82/53/1118358253.db2.gz DKNHZGXJPPJYED-CYBMUJFWSA-N 0 1 276.767 3.535 20 0 CHADMN COc1cc(C)cc(NCc2ccc3nc[nH]c3c2)c1C ZINC000683778340 1118359386 /nfs/dbraw/zinc/35/93/86/1118359386.db2.gz YKEWPKVTMGMUKH-UHFFFAOYSA-N 0 1 281.359 3.800 20 0 CHADMN Cc1cc(C)cc(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)c1 ZINC001204518185 1118360369 /nfs/dbraw/zinc/36/03/69/1118360369.db2.gz HCMIGJZBSPQVLG-SJORKVTESA-N 0 1 271.404 3.637 20 0 CHADMN O=C(CCC1CCCCCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000654922331 1118363372 /nfs/dbraw/zinc/36/33/72/1118363372.db2.gz WXUXQEFKUFITIZ-HNNXBMFYSA-N 0 1 289.423 3.654 20 0 CHADMN c1ccc(C2(NCc3cccc4c3OCCCO4)CC2)cc1 ZINC000068980211 1118366393 /nfs/dbraw/zinc/36/63/93/1118366393.db2.gz YJQJSLJWHYNZQH-UHFFFAOYSA-N 0 1 295.382 3.627 20 0 CHADMN CSc1ccc(CNCC#Cc2ccccc2)cc1 ZINC000076330714 1128772866 /nfs/dbraw/zinc/77/28/66/1128772866.db2.gz MSWKOHSECXILCV-UHFFFAOYSA-N 0 1 267.397 3.550 20 0 CHADMN CC(C)[C@@H](C)N(C(=O)c1cc(-c2ccccc2)[nH]n1)C1CC1 ZINC000069465759 1118369891 /nfs/dbraw/zinc/36/98/91/1118369891.db2.gz OZPAKSUDBIULEY-CYBMUJFWSA-N 0 1 297.402 3.726 20 0 CHADMN Cc1ccsc1CN(C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000070754532 1118371911 /nfs/dbraw/zinc/37/19/11/1118371911.db2.gz YOMJQQDMMQPAJV-AWEZNQCLSA-N 0 1 296.480 3.522 20 0 CHADMN Clc1ccc2nc(-c3ccc4c(c3)COC4)[nH]c2c1 ZINC000084436468 1118378901 /nfs/dbraw/zinc/37/89/01/1118378901.db2.gz FFGBKWLULIZSAJ-UHFFFAOYSA-N 0 1 270.719 3.914 20 0 CHADMN CCN(CC)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000073101711 1118380063 /nfs/dbraw/zinc/38/00/63/1118380063.db2.gz LCUHYOXBLDQLKZ-QGZVFWFLSA-N 0 1 282.387 3.708 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCCCC(=O)[O-] ZINC000083679637 1118382374 /nfs/dbraw/zinc/38/23/74/1118382374.db2.gz GFKSUPSKOHMFIE-GFCCVEGCSA-N 0 1 283.799 3.978 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](Cc2ccccc2C(=O)[O-])CC1 ZINC000083729628 1118383495 /nfs/dbraw/zinc/38/34/95/1118383495.db2.gz FWSKJRDPYYYQSQ-AWEZNQCLSA-N 0 1 275.392 3.643 20 0 CHADMN CCCCN(C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000073601452 1118383937 /nfs/dbraw/zinc/38/39/37/1118383937.db2.gz NKOFYVPSLSFSOH-JTQLQIEISA-N 0 1 286.778 3.538 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1cnc(C2CC2)nc1 ZINC000584098743 1118386504 /nfs/dbraw/zinc/38/65/04/1118386504.db2.gz OYHFNAIBCYFARJ-UHFFFAOYSA-N 0 1 281.403 3.685 20 0 CHADMN CO[C@H](c1ccccc1)[C@H](C)NCc1cc(C(C)C)no1 ZINC000683819822 1118388166 /nfs/dbraw/zinc/38/81/66/1118388166.db2.gz YLMBWWAFMNTQLR-GUYCJALGSA-N 0 1 288.391 3.664 20 0 CHADMN C[C@@H](NC/C=C/c1ccccc1)c1nc2ccccc2n1C ZINC000124262383 1118391314 /nfs/dbraw/zinc/39/13/14/1118391314.db2.gz UYQAHCCJPRCJNV-KUCQQTCKSA-N 0 1 291.398 3.937 20 0 CHADMN Cc1occc1CN(C)Cc1ccc2cnccc2c1 ZINC000683827059 1118393630 /nfs/dbraw/zinc/39/36/30/1118393630.db2.gz GRGWJPHPJKUDMW-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN CC[C@H](CSC)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186229019 1118394803 /nfs/dbraw/zinc/39/48/03/1118394803.db2.gz SCEGFJJOGQABLV-GXSJLCMTSA-N 0 1 273.829 3.838 20 0 CHADMN CCCC[C@H](CC)C[N@@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000580206045 1118401170 /nfs/dbraw/zinc/40/11/70/1118401170.db2.gz MLXJZKPJGZCCRO-UONOGXRCSA-N 0 1 257.418 3.634 20 0 CHADMN CCCC[C@H](CC)C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000580206043 1118401425 /nfs/dbraw/zinc/40/14/25/1118401425.db2.gz MLXJZKPJGZCCRO-KBPBESRZSA-N 0 1 257.418 3.634 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1ccnc(SC)c1 ZINC000349312759 1118418267 /nfs/dbraw/zinc/41/82/67/1118418267.db2.gz NAJQGVFPJIINDP-SNVBAGLBSA-N 0 1 294.445 3.724 20 0 CHADMN CC1(C)C[C@H](N[C@H](CO)c2ccsc2)c2ccccc21 ZINC000349313157 1118419072 /nfs/dbraw/zinc/41/90/72/1118419072.db2.gz NNNIPHWLNOVPBE-JKSUJKDBSA-N 0 1 287.428 3.794 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccsc1)c1cccc(Cl)c1 ZINC000349315834 1118425545 /nfs/dbraw/zinc/42/55/45/1118425545.db2.gz VOCJQJMBUHSEDA-QMTHXVAHSA-N 0 1 281.808 3.786 20 0 CHADMN Cc1noc([C@H](C)N(C)CC2CCC(C)(C)CC2)n1 ZINC000580342367 1118429129 /nfs/dbraw/zinc/42/91/29/1118429129.db2.gz YVDUEFCXELUKSV-NSHDSACASA-N 0 1 265.401 3.587 20 0 CHADMN Fc1cccc(CNC/C=C/c2ccccc2)c1F ZINC000083431818 1118429871 /nfs/dbraw/zinc/42/98/71/1118429871.db2.gz UILPXYLVZZZKIF-VMPITWQZSA-N 0 1 259.299 3.768 20 0 CHADMN C[N@@H+](Cc1nnc(C2CC2)o1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000565642538 1118441348 /nfs/dbraw/zinc/44/13/48/1118441348.db2.gz GQPCWNVUHDGJBZ-JKSUJKDBSA-N 0 1 297.402 3.715 20 0 CHADMN CN(Cc1nnc(C2CC2)o1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000565642538 1118441349 /nfs/dbraw/zinc/44/13/49/1118441349.db2.gz GQPCWNVUHDGJBZ-JKSUJKDBSA-N 0 1 297.402 3.715 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc2ccccc2c1 ZINC000086752410 1118444702 /nfs/dbraw/zinc/44/47/02/1118444702.db2.gz VWTDNPIKCRKLME-ZDUSSCGKSA-N 0 1 271.360 3.525 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@@](CF)(C(F)(F)F)C2)oc1C ZINC001204536418 1118447148 /nfs/dbraw/zinc/44/71/48/1118447148.db2.gz HVCKYDCFQPMILO-LBPRGKRZSA-N 0 1 279.277 3.620 20 0 CHADMN Cc1cc(CN2CC[C@@](CF)(C(F)(F)F)C2)oc1C ZINC001204536418 1118447151 /nfs/dbraw/zinc/44/71/51/1118447151.db2.gz HVCKYDCFQPMILO-LBPRGKRZSA-N 0 1 279.277 3.620 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cc3ccccc3[nH]1)CO2 ZINC000683929124 1118448343 /nfs/dbraw/zinc/44/83/43/1118448343.db2.gz OAGCYLZTVWIHDU-QGZVFWFLSA-N 0 1 278.355 3.700 20 0 CHADMN CCOc1cccc(Cl)c1CN(CCOC)CC(C)C ZINC001656971449 1118449088 /nfs/dbraw/zinc/44/90/88/1118449088.db2.gz AAIYXLJIIGEGRR-UHFFFAOYSA-N 0 1 299.842 3.843 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](CO)c2ccsc2)c(C)s1 ZINC000349328263 1118465820 /nfs/dbraw/zinc/46/58/20/1118465820.db2.gz XWMDJWQCNCEWBV-QMTHXVAHSA-N 0 1 281.446 3.811 20 0 CHADMN CCCCCc1cc(C(=O)N2[C@H](C)CCC2(C)C)n[nH]1 ZINC000616178848 1128779664 /nfs/dbraw/zinc/77/96/64/1128779664.db2.gz HLWVWXCRJXEOCJ-GFCCVEGCSA-N 0 1 277.412 3.546 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccsc1Cl ZINC000263137041 1118473704 /nfs/dbraw/zinc/47/37/04/1118473704.db2.gz MDYBBPHFYXXPLR-USWWRNFRSA-N 0 1 299.823 3.619 20 0 CHADMN c1nc(C2CC2)sc1CN1CCC[C@H](OC2CCC2)C1 ZINC000656271208 1118488921 /nfs/dbraw/zinc/48/89/21/1118488921.db2.gz FIDPUYVOWMPIFD-AWEZNQCLSA-N 0 1 292.448 3.554 20 0 CHADMN COc1cnccc1Nc1ccc(-c2cccc(O)c2)cc1 ZINC001211265350 1118493249 /nfs/dbraw/zinc/49/32/49/1118493249.db2.gz VPSVRGIHCBDUPL-UHFFFAOYSA-N 0 1 292.338 3.628 20 0 CHADMN c1cc2c(cccc2CNc2ccc3c[nH]nc3c2)[nH]1 ZINC000080336974 1118506463 /nfs/dbraw/zinc/50/64/63/1118506463.db2.gz PPLCDAIYFJTAEK-UHFFFAOYSA-N 0 1 262.316 3.656 20 0 CHADMN CCC(=O)Nc1cccc(CN[C@@H](C)c2cccc(O)c2)c1 ZINC000580812811 1118508112 /nfs/dbraw/zinc/50/81/12/1118508112.db2.gz WZBJBGRZBSJVAB-ZDUSSCGKSA-N 0 1 298.386 3.592 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(C)c(F)c(C)c2)cn1 ZINC001143385057 1118521309 /nfs/dbraw/zinc/52/13/09/1118521309.db2.gz MWMVFWDORQWUOQ-UHFFFAOYSA-N 0 1 272.367 3.778 20 0 CHADMN Cc1ccc(F)c(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215557109 1118527570 /nfs/dbraw/zinc/52/75/70/1118527570.db2.gz QFBOJTAROYGZLI-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN C/C=C(\C)C(=O)Nc1cccc2c1CN(CCC(C)C)C2 ZINC000175972694 1118535999 /nfs/dbraw/zinc/53/59/99/1118535999.db2.gz AWZYMDXNJNCCNA-LHHJGKSTSA-N 0 1 286.419 3.953 20 0 CHADMN Cc1cccc(-c2noc(COc3cc(C)nc(C)c3)n2)c1 ZINC000128199309 1118539501 /nfs/dbraw/zinc/53/95/01/1118539501.db2.gz LTZSJTBFQQDZLF-UHFFFAOYSA-N 0 1 295.342 3.636 20 0 CHADMN Cc1ccc(-c2nc([C@H]3CCCN3)no2)c2ccccc12 ZINC000647143978 1118545651 /nfs/dbraw/zinc/54/56/51/1118545651.db2.gz HYPJPIXKPNYIAJ-OAHLLOKOSA-N 0 1 279.343 3.623 20 0 CHADMN CC(C)c1cc(C(=O)N(C)[C@H]2CCCc3ccccc32)n[nH]1 ZINC000056453432 1118550075 /nfs/dbraw/zinc/55/00/75/1118550075.db2.gz RNWGZBNMAPAKOL-KRWDZBQOSA-N 0 1 297.402 3.683 20 0 CHADMN CC(C)Cc1ccc(/C=C\c2nc([C@H]3CCCN3)no2)cc1 ZINC000647147229 1118550253 /nfs/dbraw/zinc/55/02/53/1118550253.db2.gz NOZCOEYZAQJMNU-ZBTGYSDGSA-N 0 1 297.402 3.863 20 0 CHADMN CC(C)c1cc(C(=O)N(Cc2ccccc2)C(C)C)n[nH]1 ZINC000056455201 1118554406 /nfs/dbraw/zinc/55/44/06/1118554406.db2.gz VLULJBQYQSGFKM-UHFFFAOYSA-N 0 1 285.391 3.584 20 0 CHADMN Cc1nnc(CN(CCC(C)C)C2CCCC2)n1C1CC1 ZINC000340952946 1118559882 /nfs/dbraw/zinc/55/98/82/1118559882.db2.gz PUUPGERZTDTUCV-UHFFFAOYSA-N 0 1 290.455 3.712 20 0 CHADMN Brc1csc(CN2CCC3(CC3)CC2)c1 ZINC000706884418 1118560884 /nfs/dbraw/zinc/56/08/84/1118560884.db2.gz KFVRWVAPYHJXDU-UHFFFAOYSA-N 0 1 286.238 3.887 20 0 CHADMN CC(C)Sc1ccc(-c2nc([C@H]3CCCN3)no2)cc1 ZINC000647152990 1118562594 /nfs/dbraw/zinc/56/25/94/1118562594.db2.gz RABSQPYLEQVFCW-CYBMUJFWSA-N 0 1 289.404 3.662 20 0 CHADMN Cc1ccc2nc(-c3ccc(O[C@H]4CCOC4)cc3)[nH]c2c1 ZINC000656486310 1118563919 /nfs/dbraw/zinc/56/39/19/1118563919.db2.gz XYNRQCZVVWKGHK-HNNXBMFYSA-N 0 1 294.354 3.706 20 0 CHADMN CCC[C@@H](CN[C@@H](c1ccccc1)c1ccccn1)OC ZINC000293763738 1118566248 /nfs/dbraw/zinc/56/62/48/1118566248.db2.gz VGJARUVAKYGQOW-WMZOPIPTSA-N 0 1 284.403 3.576 20 0 CHADMN Fc1ccc2c(c1)[C@@H]([N@H+]1CCOC3(CCCC3)C1)CCC2 ZINC000510394957 1118566748 /nfs/dbraw/zinc/56/67/48/1118566748.db2.gz JPWDVHUKDBRYNU-KRWDZBQOSA-N 0 1 289.394 3.848 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N1CCOC3(CCCC3)C1)CCC2 ZINC000510394957 1118566751 /nfs/dbraw/zinc/56/67/51/1118566751.db2.gz JPWDVHUKDBRYNU-KRWDZBQOSA-N 0 1 289.394 3.848 20 0 CHADMN CCC[C@H](C)CC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000340976791 1118566832 /nfs/dbraw/zinc/56/68/32/1118566832.db2.gz RUWQRVHSONWKRZ-JTQLQIEISA-N 0 1 259.353 3.636 20 0 CHADMN Cc1cccc(C(C)(C)NCc2ccc3c(n2)CCC3)c1 ZINC000656501883 1118569082 /nfs/dbraw/zinc/56/90/82/1118569082.db2.gz WXTHIWLHUDMRMB-UHFFFAOYSA-N 0 1 280.415 3.904 20 0 CHADMN Cc1nnsc1CN[C@H](C)c1ccc(CC(C)C)cc1 ZINC000293785395 1118581604 /nfs/dbraw/zinc/58/16/04/1118581604.db2.gz UEASTUXUQFSUPP-GFCCVEGCSA-N 0 1 289.448 3.896 20 0 CHADMN Cc1cnc(CN[C@@H](c2ccccc2)C2CCCC2)n1C ZINC000341016466 1118585174 /nfs/dbraw/zinc/58/51/74/1118585174.db2.gz RPQZKSIWAPSGKH-SFHVURJKSA-N 0 1 283.419 3.750 20 0 CHADMN CC1(C)CC(c2nc([C@@H]3CCCN3)no2)CC(C)(C)C1 ZINC000656560533 1118595552 /nfs/dbraw/zinc/59/55/52/1118595552.db2.gz AOAJYWKCGYLICZ-LBPRGKRZSA-N 0 1 277.412 3.814 20 0 CHADMN CCc1ccc([C@H](CC)NCc2nccn2CC)cc1 ZINC000296583755 1118596701 /nfs/dbraw/zinc/59/67/01/1118596701.db2.gz UNKPJLHLFDWQFJ-INIZCTEOSA-N 0 1 271.408 3.706 20 0 CHADMN CCc1ccc(CN2CCC=C(c3ccco3)C2)o1 ZINC000348668751 1118606474 /nfs/dbraw/zinc/60/64/74/1118606474.db2.gz DXMVGMQZZKVUQR-UHFFFAOYSA-N 0 1 257.333 3.724 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cnn(CC(C)C)c2)o1 ZINC000341151094 1118607141 /nfs/dbraw/zinc/60/71/41/1118607141.db2.gz HROYAZVFZMUMQO-MRXNPFEDSA-N 0 1 287.407 3.778 20 0 CHADMN CC[C@@H](NCc1nc2cccnc2s1)c1ccccc1 ZINC000341214992 1118624524 /nfs/dbraw/zinc/62/45/24/1118624524.db2.gz BZAHJSPXBAXUKI-CYBMUJFWSA-N 0 1 283.400 3.932 20 0 CHADMN COc1ccsc1CN1CC(Cc2ccc(F)cc2)C1 ZINC000656668247 1118630038 /nfs/dbraw/zinc/63/00/38/1118630038.db2.gz GXRXGHRXYQPTHN-UHFFFAOYSA-N 0 1 291.391 3.570 20 0 CHADMN Cc1ccc2cc[nH+]c(NCCCCCC(=O)[O-])c2c1 ZINC000096847031 1118630843 /nfs/dbraw/zinc/63/08/43/1118630843.db2.gz OFXYTNPSNQPKGB-UHFFFAOYSA-N 0 1 272.348 3.600 20 0 CHADMN FC(F)(F)CC1CN(Cc2ccnc3ccccc23)C1 ZINC000656686789 1118636446 /nfs/dbraw/zinc/63/64/46/1118636446.db2.gz WXFPOKLUNCFECD-UHFFFAOYSA-N 0 1 280.293 3.619 20 0 CHADMN FC1CC2(C1)CN(Cc1cccc(-c3ccccn3)c1)C2 ZINC000656695595 1118638220 /nfs/dbraw/zinc/63/82/20/1118638220.db2.gz OKXHHUUXMFZXRK-UHFFFAOYSA-N 0 1 282.362 3.683 20 0 CHADMN CC1(C)CCc2cc(CN3CC4(CC(F)C4)C3)ccc2O1 ZINC000656694265 1118638398 /nfs/dbraw/zinc/63/83/98/1118638398.db2.gz OBANFUCOEYOUDM-UHFFFAOYSA-N 0 1 289.394 3.724 20 0 CHADMN Cc1cn[nH]c1CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000290311978 1118639995 /nfs/dbraw/zinc/63/99/95/1118639995.db2.gz APZGIELJMZXBFZ-AWEZNQCLSA-N 0 1 298.415 3.665 20 0 CHADMN Fc1ccc([C@H]2CCCN(Cc3ccccn3)C2)cc1F ZINC000625658602 1118645382 /nfs/dbraw/zinc/64/53/82/1118645382.db2.gz JJWPKTWKEKGROD-AWEZNQCLSA-N 0 1 288.341 3.739 20 0 CHADMN COc1ccc(CN[C@@H](c2ccccn2)C(C)C)cc1F ZINC000076902247 1128791640 /nfs/dbraw/zinc/79/16/40/1128791640.db2.gz LNYBMVUHQQBBEY-QGZVFWFLSA-N 0 1 288.366 3.716 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCCCC2)[C@H]2CCCC[C@@H]12 ZINC000656764084 1118651692 /nfs/dbraw/zinc/65/16/92/1118651692.db2.gz JKCLNJLZUPTKSV-XHSDSOJGSA-N 0 1 279.424 3.532 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCCC2CCCC2)[C@H]2CCCC[C@H]12 ZINC000656763988 1118651831 /nfs/dbraw/zinc/65/18/31/1118651831.db2.gz DQHUJDAVUVCFNV-ZACQAIPSSA-N 0 1 293.451 3.922 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000656762748 1118652002 /nfs/dbraw/zinc/65/20/02/1118652002.db2.gz GGCKHZORXTTWEH-UHFFFAOYSA-N 0 1 293.382 3.926 20 0 CHADMN CCC[N@@H+](Cc1ccccc1F)[C@@H](CC(C)C)C(=O)[O-] ZINC000656765997 1118653027 /nfs/dbraw/zinc/65/30/27/1118653027.db2.gz QAUPAPDJGGPUJI-HNNXBMFYSA-N 0 1 281.371 3.537 20 0 CHADMN CCC[N@@H+](Cc1ccccc1F)[C@H](CC(C)C)C(=O)[O-] ZINC000656765998 1118653116 /nfs/dbraw/zinc/65/31/16/1118653116.db2.gz QAUPAPDJGGPUJI-OAHLLOKOSA-N 0 1 281.371 3.537 20 0 CHADMN C[C@H](N[C@H]1CCc2c1cc(F)cc2F)c1cncc(F)c1 ZINC000656772319 1118653660 /nfs/dbraw/zinc/65/36/60/1118653660.db2.gz VVZNNWAXVKBLKW-FVMDXXJSSA-N 0 1 292.304 3.837 20 0 CHADMN c1c2ccncc2sc1CNc1ccc2c(n1)CCC2 ZINC000656777009 1118655143 /nfs/dbraw/zinc/65/51/43/1118655143.db2.gz UEFVUIZKAQQEDS-UHFFFAOYSA-N 0 1 281.384 3.792 20 0 CHADMN c1c2ccncc2sc1CNc1cc2c(cn1)CCC2 ZINC000656775570 1118655324 /nfs/dbraw/zinc/65/53/24/1118655324.db2.gz XBODXTFAJWTLBV-UHFFFAOYSA-N 0 1 281.384 3.792 20 0 CHADMN Cc1cccn2c(CNc3nccc(C)c3C3CC3)cnc12 ZINC000656779330 1118655967 /nfs/dbraw/zinc/65/59/67/1118655967.db2.gz MROQERWYUPHQBV-UHFFFAOYSA-N 0 1 292.386 3.836 20 0 CHADMN CCc1ccc(C)nc1NCc1cccc(OC)c1OC ZINC000656778144 1118655995 /nfs/dbraw/zinc/65/59/95/1118655995.db2.gz PBGKSYHKJNKMLU-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN Nc1cccc(CNCc2cnc(C3CCCC3)s2)c1 ZINC000656787918 1118659092 /nfs/dbraw/zinc/65/90/92/1118659092.db2.gz ZDAOIHKGWWXHEH-UHFFFAOYSA-N 0 1 287.432 3.673 20 0 CHADMN C[C@H](NCc1cocn1)[C@@H](C)c1ccc(Cl)cc1 ZINC000684380321 1118668888 /nfs/dbraw/zinc/66/88/88/1118668888.db2.gz WJWMZIQVJWNLRB-MNOVXSKESA-N 0 1 264.756 3.610 20 0 CHADMN CCc1cccc(F)c1CNc1cnn(-c2ccncc2)c1 ZINC000684391237 1118675988 /nfs/dbraw/zinc/67/59/88/1118675988.db2.gz RNUPKRUSHKWVRQ-UHFFFAOYSA-N 0 1 296.349 3.581 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)NCc1ccncc1 ZINC000036325390 1118680686 /nfs/dbraw/zinc/68/06/86/1118680686.db2.gz UHGVPUVVJTYREU-CQSZACIVSA-N 0 1 270.376 3.720 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933395436 1118684508 /nfs/dbraw/zinc/68/45/08/1118684508.db2.gz KJVCADVNPJEBAU-NSHDSACASA-N 0 1 276.767 3.634 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)N(C)Cc1cccc(=O)[nH]1 ZINC000933395436 1118684512 /nfs/dbraw/zinc/68/45/12/1118684512.db2.gz KJVCADVNPJEBAU-NSHDSACASA-N 0 1 276.767 3.634 20 0 CHADMN CC(C)C1CN(Cc2cnc(C(C)(C)C)s2)C1 ZINC000684407957 1118685020 /nfs/dbraw/zinc/68/50/20/1118685020.db2.gz DZYBBODQCCYNDK-UHFFFAOYSA-N 0 1 252.427 3.528 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000684412010 1118686745 /nfs/dbraw/zinc/68/67/45/1118686745.db2.gz PCGCTEQDZWQWJR-BETUJISGSA-N 0 1 295.386 3.816 20 0 CHADMN C[C@@H]1CCCN(Cc2noc3c2CC(C)(C)CC3)[C@@H]1C ZINC001167482217 1118690300 /nfs/dbraw/zinc/69/03/00/1118690300.db2.gz HJQZXFZBZPVXJE-CHWSQXEVSA-N 0 1 276.424 3.810 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)CC3(C)C)n[nH]2)cc1 ZINC000471705298 1118697115 /nfs/dbraw/zinc/69/71/15/1118697115.db2.gz JDEWPKXLSZYAIX-ZDUSSCGKSA-N 0 1 297.402 3.646 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@@H](C)c1ccnc(OC)c1 ZINC000348687411 1118698384 /nfs/dbraw/zinc/69/83/84/1118698384.db2.gz UPZPQLMBIAHYNW-WDEREUQCSA-N 0 1 292.404 3.572 20 0 CHADMN COc1cc(Cl)c(CN(C)CC2CC2)cc1Cl ZINC000510464500 1118698859 /nfs/dbraw/zinc/69/88/59/1118698859.db2.gz ZLWUDDJZTBQWIE-UHFFFAOYSA-N 0 1 274.191 3.844 20 0 CHADMN Cc1ccncc1CN(C)Cc1ccc2cnccc2c1 ZINC000684425564 1118700693 /nfs/dbraw/zinc/70/06/93/1118700693.db2.gz TYDARPCOFIKOPL-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN COc1ncncc1CN[C@@H](C)c1cc2ccccc2s1 ZINC000647181862 1118701592 /nfs/dbraw/zinc/70/15/92/1118701592.db2.gz WHEZWUZCABMGKX-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN Cn1cccc1CNCc1c(Cl)oc2ccccc21 ZINC000341447734 1118709405 /nfs/dbraw/zinc/70/94/05/1118709405.db2.gz GTYFHAMZQTVNMD-UHFFFAOYSA-N 0 1 274.751 3.715 20 0 CHADMN CCn1cc(CN([C@H](C)c2ccccc2)C2CC2)c(C)n1 ZINC000891594553 1118718841 /nfs/dbraw/zinc/71/88/41/1118718841.db2.gz MVXLBXVUVLEVBY-OAHLLOKOSA-N 0 1 283.419 3.937 20 0 CHADMN COc1ccc(CN2CCC[C@H]2c2ccsc2)o1 ZINC000891617793 1118721776 /nfs/dbraw/zinc/72/17/76/1118721776.db2.gz JJPYXLNFYUFAKH-ZDUSSCGKSA-N 0 1 263.362 3.687 20 0 CHADMN C/C=C\CN[C@H](C)c1sccc1Br ZINC000384828379 1118724342 /nfs/dbraw/zinc/72/43/42/1118724342.db2.gz GLNHTTCAZKJDNN-TUUFMJSCSA-N 0 1 260.200 3.737 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2cccs2)cnc1F ZINC000891640056 1118727890 /nfs/dbraw/zinc/72/78/90/1118727890.db2.gz MDMILQPMZSVODD-LLVKDONJSA-N 0 1 264.369 3.784 20 0 CHADMN CC(C)CCN(C)Cc1nc2cc(Cl)ccc2n1C ZINC000097493260 1118730557 /nfs/dbraw/zinc/73/05/57/1118730557.db2.gz XGBSJWNISXWPAJ-UHFFFAOYSA-N 0 1 279.815 3.705 20 0 CHADMN Cc1cccc(CN[C@@H]2CSc3ccccc32)c1 ZINC000083748676 1118732150 /nfs/dbraw/zinc/73/21/50/1118732150.db2.gz YKFBKRIDVWFNBO-OAHLLOKOSA-N 0 1 255.386 3.932 20 0 CHADMN CC(C)N(Cc1c(Cl)n[nH]c1C1CC1)CC1CC1 ZINC000891684014 1118740486 /nfs/dbraw/zinc/74/04/86/1118740486.db2.gz NXIFNUDDIUYERG-UHFFFAOYSA-N 0 1 267.804 3.561 20 0 CHADMN CC(C)Cn1nccc1CN[C@@H]1CCCc2sccc21 ZINC000647202660 1118746141 /nfs/dbraw/zinc/74/61/41/1118746141.db2.gz KGFWEYCZADIEET-OAHLLOKOSA-N 0 1 289.448 3.768 20 0 CHADMN CCN(Cc1cnn(C2CCC2)c1)[C@H](C)c1cccc(O)c1 ZINC000891714270 1118750216 /nfs/dbraw/zinc/75/02/16/1118750216.db2.gz UJOLULSFXNFQKE-CQSZACIVSA-N 0 1 299.418 3.897 20 0 CHADMN Oc1c(Cl)cccc1NC(=S)NC1CCCCC1 ZINC000218214578 1118757422 /nfs/dbraw/zinc/75/74/22/1118757422.db2.gz MZLLVYGKCBWGJH-UHFFFAOYSA-N 0 1 284.812 3.665 20 0 CHADMN CN(Cc1cc(O)ccc1Br)C1CCCCC1 ZINC000131746440 1118763698 /nfs/dbraw/zinc/76/36/98/1118763698.db2.gz PSFUCDOKRZJKLD-UHFFFAOYSA-N 0 1 298.224 3.919 20 0 CHADMN CCCC[C@@H](COC)NCc1c(F)cc(F)c(F)c1F ZINC000430744875 1118767095 /nfs/dbraw/zinc/76/70/95/1118767095.db2.gz UPNLXHLMJMJVBN-VIFPVBQESA-N 0 1 293.304 3.538 20 0 CHADMN C[C@@H]1CN([C@@H]2CCCc3ccc(F)cc32)CC(C)(C)O1 ZINC000510584843 1118771314 /nfs/dbraw/zinc/77/13/14/1118771314.db2.gz QLBWFBPBWPMVSC-MLGOLLRUSA-N 0 1 277.383 3.702 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@@H](C)c2cncs2)s1 ZINC000129256360 1118772950 /nfs/dbraw/zinc/77/29/50/1118772950.db2.gz OCICUFFDEIVOOU-JGVFFNPUSA-N 0 1 267.423 3.628 20 0 CHADMN CCOC(C)(C)CN[C@H](c1cccc(C)c1)c1ccccn1 ZINC000926232772 1118775072 /nfs/dbraw/zinc/77/50/72/1118775072.db2.gz QVEGNJYDJCGLED-GOSISDBHSA-N 0 1 298.430 3.884 20 0 CHADMN Cc1ccccc1[C@]1(F)CC[N@@H+](CCCCF)C1 ZINC000510643354 1118780390 /nfs/dbraw/zinc/78/03/90/1118780390.db2.gz FZNRJIZGDDXSOM-HNNXBMFYSA-N 0 1 253.336 3.615 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2nc3ccc(F)cc3s2)C1 ZINC000430880476 1118782023 /nfs/dbraw/zinc/78/20/23/1118782023.db2.gz YAEZZTABSHQYBX-SNVBAGLBSA-N 0 1 276.380 3.833 20 0 CHADMN C[C@H](CN1C[C@@H](C)O[C@@H](C(F)(F)F)C1)CC(C)(C)C ZINC001167493486 1118799090 /nfs/dbraw/zinc/79/90/90/1118799090.db2.gz ZBHNCMLSBSYNER-QJPTWQEYSA-N 0 1 281.362 3.710 20 0 CHADMN Cc1ccc2nc(-c3ccccc3-c3ccnn3C)[nH]c2c1 ZINC000430932243 1118787417 /nfs/dbraw/zinc/78/74/17/1118787417.db2.gz YSJPWQLHLYPPRW-UHFFFAOYSA-N 0 1 288.354 3.939 20 0 CHADMN CN(Cc1nc2ccc(Cl)cc2n1C)CC(C)(C)C ZINC000510693648 1118788392 /nfs/dbraw/zinc/78/83/92/1118788392.db2.gz RWIMGOXMBVKGNV-UHFFFAOYSA-N 0 1 279.815 3.705 20 0 CHADMN Cc1cc(CN[C@@H](CC(C)C)c2ccccc2C)nn1C ZINC000341662264 1118789284 /nfs/dbraw/zinc/78/92/84/1118789284.db2.gz VZUWXEBZCRIQTH-SFHVURJKSA-N 0 1 285.435 3.914 20 0 CHADMN Cc1coc2ccc(NC(=O)c3ccc4cncn4c3)cc12 ZINC000341676429 1118793350 /nfs/dbraw/zinc/79/33/50/1118793350.db2.gz MTJZUHWGRWYUMU-UHFFFAOYSA-N 0 1 291.310 3.641 20 0 CHADMN C[C@H](N[C@@H]1CCCc2sc(Cl)cc21)c1cnn(C)c1 ZINC000293874794 1118796628 /nfs/dbraw/zinc/79/66/28/1118796628.db2.gz YLTOTYUAUFSUBO-JOYOIKCWSA-N 0 1 295.839 3.863 20 0 CHADMN COc1cc(F)cc(CN2Cc3ccccc3[C@@H](C)C2)c1 ZINC001140477353 1118796732 /nfs/dbraw/zinc/79/67/32/1118796732.db2.gz BTCLIYYAAFNVEF-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN C[C@H](CN1C[C@@H](C)O[C@H](C(F)(F)F)C1)CC(C)(C)C ZINC001167493489 1118799231 /nfs/dbraw/zinc/79/92/31/1118799231.db2.gz ZBHNCMLSBSYNER-TUAOUCFPSA-N 0 1 281.362 3.710 20 0 CHADMN COc1ccccc1CSCc1n[nH]c(C(C)(C)C)n1 ZINC000430990049 1118805971 /nfs/dbraw/zinc/80/59/71/1118805971.db2.gz NTARJQITWNWZCI-UHFFFAOYSA-N 0 1 291.420 3.544 20 0 CHADMN CC(=O)Nc1cccc(CNC2(c3ccc(F)cc3)CC2)c1 ZINC000341715583 1118810768 /nfs/dbraw/zinc/81/07/68/1118810768.db2.gz UOXJENJGIFLBGZ-UHFFFAOYSA-N 0 1 298.361 3.563 20 0 CHADMN CC1(c2ccccc2)CCC(NC(CF)CF)CC1 ZINC000449380858 1118821244 /nfs/dbraw/zinc/82/12/44/1118821244.db2.gz PBENLWBHDBTCMK-UHFFFAOYSA-N 0 1 267.363 3.784 20 0 CHADMN C[C@H](NCc1ccncc1)c1ccc(Cl)c(F)c1 ZINC000213753153 1118832472 /nfs/dbraw/zinc/83/24/72/1118832472.db2.gz BAHKJPSUPLDAKQ-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN CC[C@H]1COCCN1Cc1cc2ccccc2s1 ZINC000091980456 1118838252 /nfs/dbraw/zinc/83/82/52/1118838252.db2.gz UGPJEIQZMOHRJT-ZDUSSCGKSA-N 0 1 261.390 3.512 20 0 CHADMN Cc1nocc1CN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000294008738 1118849295 /nfs/dbraw/zinc/84/92/95/1118849295.db2.gz GOQOUOFURCJBNS-GFCCVEGCSA-N 0 1 270.376 3.713 20 0 CHADMN c1csc([C@@H]2CN(C[C@@H]3C[C@H]3c3ccccc3)CCO2)c1 ZINC000092594114 1118856758 /nfs/dbraw/zinc/85/67/58/1118856758.db2.gz TVOBPDCSTHKHTL-ULQDDVLXSA-N 0 1 299.439 3.925 20 0 CHADMN Fc1cccc([C@@H]2CCN(Cc3ccnn3C3CCC3)C2)c1 ZINC000891942047 1118860877 /nfs/dbraw/zinc/86/08/77/1118860877.db2.gz ANIUUNAYCMCAPF-OAHLLOKOSA-N 0 1 299.393 3.737 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1nccn1C1CC1)C1CC1 ZINC000891943668 1118862259 /nfs/dbraw/zinc/86/22/59/1118862259.db2.gz TUCBZMMFDZUMNT-QWHCGFSZSA-N 0 1 261.413 3.617 20 0 CHADMN CC[N@@H+](Cc1cccc(F)c1)Cc1ccccc1C(=O)[O-] ZINC001140502749 1118867321 /nfs/dbraw/zinc/86/73/21/1118867321.db2.gz CIKKDUWBRFOERV-UHFFFAOYSA-N 0 1 287.334 3.546 20 0 CHADMN C[C@@H](CN1CCn2cccc2[C@H]1C)c1ccccc1 ZINC000247555928 1118867679 /nfs/dbraw/zinc/86/76/79/1118867679.db2.gz TZLVYUSSWMYRDM-LSDHHAIUSA-N 0 1 254.377 3.668 20 0 CHADMN Cc1cnc([C@H](C)CNc2cc[nH+]c3c([O-])cccc23)s1 ZINC000684580620 1118868571 /nfs/dbraw/zinc/86/85/71/1118868571.db2.gz CZKLRPDXGHNOIV-SNVBAGLBSA-N 0 1 299.399 3.921 20 0 CHADMN C[C@H](CN(C)c1cc[nH+]c2c([O-])cccc12)c1nccs1 ZINC000684580901 1118868934 /nfs/dbraw/zinc/86/89/34/1118868934.db2.gz FDALQIGMGMUBRT-LLVKDONJSA-N 0 1 299.399 3.637 20 0 CHADMN C[C@@H](CN(C)c1cc[nH+]c2c([O-])cccc12)c1nccs1 ZINC000684580902 1118869006 /nfs/dbraw/zinc/86/90/06/1118869006.db2.gz FDALQIGMGMUBRT-NSHDSACASA-N 0 1 299.399 3.637 20 0 CHADMN COc1cc(F)cc(CNc2cc[nH+]c3c([O-])cccc23)c1 ZINC000684581422 1118869222 /nfs/dbraw/zinc/86/92/22/1118869222.db2.gz NOBMBPOVEMUWQN-UHFFFAOYSA-N 0 1 298.317 3.700 20 0 CHADMN C[C@@H](NCC1CCC(C(F)(F)F)CC1)C(C)(F)F ZINC000449415253 1118877475 /nfs/dbraw/zinc/87/74/75/1118877475.db2.gz OHTUNFHJJPJXDC-XNWIYYODSA-N 0 1 273.289 3.988 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1N[C@@H](C)c1cscn1 ZINC000535777931 1118884467 /nfs/dbraw/zinc/88/44/67/1118884467.db2.gz UCDQKIAKSXSOGY-DMDPSCGWSA-N 0 1 270.467 3.858 20 0 CHADMN CCOc1cc(CN2C3CCC2CC3)cc(Cl)c1OC ZINC000535780290 1118887442 /nfs/dbraw/zinc/88/74/42/1118887442.db2.gz VGNYIBJLSVBSMC-UHFFFAOYSA-N 0 1 295.810 3.874 20 0 CHADMN CC[C@H](C)[C@H](C)NCc1noc(-c2ccccc2C)n1 ZINC000183028054 1118895050 /nfs/dbraw/zinc/89/50/50/1118895050.db2.gz LFQMCTXXTXIOLZ-AAEUAGOBSA-N 0 1 273.380 3.569 20 0 CHADMN CC(C)c1nc([C@H](C)NCc2ccc(C3CC3)cc2)n[nH]1 ZINC000563111443 1118895413 /nfs/dbraw/zinc/89/54/13/1118895413.db2.gz HFMFDZNGQLTNAJ-LBPRGKRZSA-N 0 1 284.407 3.656 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2ccc3ccccc3c2)n1 ZINC000342020276 1118896283 /nfs/dbraw/zinc/89/62/83/1118896283.db2.gz HCLPOOBSGYHDQV-OAHLLOKOSA-N 0 1 281.359 3.936 20 0 CHADMN COC(=O)c1ccc(CN[C@H](CC2CC2)c2ccccc2)o1 ZINC000610819259 1118898938 /nfs/dbraw/zinc/89/89/38/1118898938.db2.gz BFCLDMOJOIUHNG-MRXNPFEDSA-N 0 1 299.370 3.697 20 0 CHADMN Cc1cc(CN[C@@H]2CCC(C)(C)c3ccccc32)ncn1 ZINC000684612718 1118902512 /nfs/dbraw/zinc/90/25/12/1118902512.db2.gz XZMANYQKCOWQTD-QGZVFWFLSA-N 0 1 281.403 3.687 20 0 CHADMN CN(Cc1cc(Cl)ccc1Cl)C[C@H]1CCC[C@H]1O ZINC000535875977 1118914558 /nfs/dbraw/zinc/91/45/58/1118914558.db2.gz MEIAEIGHWGUSDV-QMTHXVAHSA-N 0 1 288.218 3.586 20 0 CHADMN CC(C)CC[C@@H](C)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000236606754 1118920590 /nfs/dbraw/zinc/92/05/90/1118920590.db2.gz DKSBQVPHKIVXIY-VXGBXAGGSA-N 0 1 267.417 3.842 20 0 CHADMN CCc1nc([C@@H](C)Sc2cc(C)ccc2C)n[nH]1 ZINC000657231897 1118926923 /nfs/dbraw/zinc/92/69/23/1118926923.db2.gz PDNUTJOSSWYFPF-LLVKDONJSA-N 0 1 261.394 3.837 20 0 CHADMN COc1ccccc1[C@@H](NCCC1(C)CC1)c1ccccn1 ZINC000926327951 1118927151 /nfs/dbraw/zinc/92/71/51/1118927151.db2.gz WTBZHMJZBZKZFX-GOSISDBHSA-N 0 1 296.414 3.959 20 0 CHADMN CC(C)(C)c1n[nH]c(SC[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000657242192 1118931717 /nfs/dbraw/zinc/93/17/17/1118931717.db2.gz BGLMUWIOKDQJEG-MXWKQRLJSA-N 0 1 265.426 3.631 20 0 CHADMN CC(C)(C)c1nc(SC[C@@H]2CC[C@@H]3C[C@@H]3C2)n[nH]1 ZINC000657242192 1118931718 /nfs/dbraw/zinc/93/17/18/1118931718.db2.gz BGLMUWIOKDQJEG-MXWKQRLJSA-N 0 1 265.426 3.631 20 0 CHADMN CCc1nc([C@H](C)Sc2c(F)cc(F)cc2F)n[nH]1 ZINC000657244896 1118932121 /nfs/dbraw/zinc/93/21/21/1118932121.db2.gz POMGXFWPUFTJFT-LURJTMIESA-N 0 1 287.310 3.638 20 0 CHADMN c1ccc2c(c1)CC[C@@H]2CCSc1nc(C2CC2)n[nH]1 ZINC000657242749 1118932167 /nfs/dbraw/zinc/93/21/67/1118932167.db2.gz KHWTVOIPJSTTHW-GFCCVEGCSA-N 0 1 285.416 3.894 20 0 CHADMN c1ccc2c(c1)CC[C@@H]2CCSc1n[nH]c(C2CC2)n1 ZINC000657242749 1118932168 /nfs/dbraw/zinc/93/21/68/1118932168.db2.gz KHWTVOIPJSTTHW-GFCCVEGCSA-N 0 1 285.416 3.894 20 0 CHADMN Cc1ccc(OC(F)F)c(CN[C@H](C)c2ccncc2)c1 ZINC000151641790 1118933606 /nfs/dbraw/zinc/93/36/06/1118933606.db2.gz WEYGBOPGIATIFQ-GFCCVEGCSA-N 0 1 292.329 3.842 20 0 CHADMN Cc1cnc(Cl)c(CN2CC[C@H](c3ccco3)C2)c1 ZINC000892018860 1118938084 /nfs/dbraw/zinc/93/80/84/1118938084.db2.gz LGEDRMXWXQMRCR-LBPRGKRZSA-N 0 1 276.767 3.626 20 0 CHADMN Fc1cc(F)c(CN2C[C@H]3CCCC[C@@H]3C2)c(F)c1 ZINC001140529438 1118951125 /nfs/dbraw/zinc/95/11/25/1118951125.db2.gz CCGWKBJWFBXNPL-GHMZBOCLSA-N 0 1 269.310 3.726 20 0 CHADMN CC(C)c1ccc(CN[C@H](CO)c2ccsc2)cc1 ZINC000472057433 1118953258 /nfs/dbraw/zinc/95/32/58/1118953258.db2.gz IJGDYJUALHFXBF-MRXNPFEDSA-N 0 1 275.417 3.695 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)n1C ZINC000657286381 1118956734 /nfs/dbraw/zinc/95/67/34/1118956734.db2.gz PMOKELKDWMYOIV-JTQLQIEISA-N 0 1 297.324 3.598 20 0 CHADMN C[C@H](NCc1ccc(Cl)c(F)c1)c1cncs1 ZINC000934195498 1118962176 /nfs/dbraw/zinc/96/21/76/1118962176.db2.gz PAZQEOHCBVXBAL-QMMMGPOBSA-N 0 1 270.760 3.786 20 0 CHADMN Fc1cc(C(F)(F)F)c(F)cc1CNCc1cc[nH]c1 ZINC000342276207 1118965931 /nfs/dbraw/zinc/96/59/31/1118965931.db2.gz BIPBGMMXXLCMNE-UHFFFAOYSA-N 0 1 290.235 3.602 20 0 CHADMN Cc1ccoc1CN[C@@H]1CSCc2ccccc21 ZINC000380969463 1118975704 /nfs/dbraw/zinc/97/57/04/1118975704.db2.gz VZYJIVQWBAUSAB-CQSZACIVSA-N 0 1 259.374 3.666 20 0 CHADMN COCc1csc(CN[C@@H]2CCCc3occc32)c1 ZINC000657307914 1118979378 /nfs/dbraw/zinc/97/93/78/1118979378.db2.gz VEIMFOWXNZABJG-CQSZACIVSA-N 0 1 277.389 3.655 20 0 CHADMN Cc1cnc([C@@H](C)N2CC(C)(C)CC(C)(C)C2)o1 ZINC000342337185 1118982437 /nfs/dbraw/zinc/98/24/37/1118982437.db2.gz KVFRDBVMIJDNRY-GFCCVEGCSA-N 0 1 250.386 3.802 20 0 CHADMN Cc1cc(C)n(CCN[C@@H](C)c2c(F)cccc2Cl)n1 ZINC000342341418 1118985354 /nfs/dbraw/zinc/98/53/54/1118985354.db2.gz QKPKVBKVNICUKX-LBPRGKRZSA-N 0 1 295.789 3.643 20 0 CHADMN CCN(Cc1cnc(C2CC2)o1)Cc1ccccc1 ZINC000628119137 1128814022 /nfs/dbraw/zinc/81/40/22/1128814022.db2.gz CUZGUXPOONQHST-UHFFFAOYSA-N 0 1 256.349 3.574 20 0 CHADMN Cc1ccc([C@H](C)NCc2cc(C(F)(F)F)nn2C)cc1 ZINC000657316468 1118995601 /nfs/dbraw/zinc/99/56/01/1118995601.db2.gz MACVMAXXOBLXTP-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN COCC[C@H](NCc1ccc(SC)s1)c1ccco1 ZINC000352836525 1118998805 /nfs/dbraw/zinc/99/88/05/1118998805.db2.gz MIAFFTUUEXNOQE-LBPRGKRZSA-N 0 1 297.445 3.930 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)C[C@H](O)c1cccc(F)c1 ZINC000051407419 1118998320 /nfs/dbraw/zinc/99/83/20/1118998320.db2.gz DGOQQTZVTIYXTE-SJCJKPOMSA-N 0 1 291.341 3.691 20 0 CHADMN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CCCCCC(=O)[O-] ZINC000582067912 1119000067 /nfs/dbraw/zinc/00/00/67/1119000067.db2.gz PNNLKCJTNAWYEV-CHWSQXEVSA-N 0 1 293.382 3.778 20 0 CHADMN CC(C)(C)c1coc(CNCC2CCCCC2)n1 ZINC000724430716 1119001876 /nfs/dbraw/zinc/00/18/76/1119001876.db2.gz XVCZDRYOGNCLJN-UHFFFAOYSA-N 0 1 250.386 3.642 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc2c1OCO2)c1ccsc1 ZINC000926368819 1119003544 /nfs/dbraw/zinc/00/35/44/1119003544.db2.gz FIVUCWMMCVFTKK-QWRGUYRKSA-N 0 1 275.373 3.889 20 0 CHADMN Cc1c[nH]c(CN[C@H]2CCC(C)(C)c3ccccc32)n1 ZINC000657348591 1119018920 /nfs/dbraw/zinc/01/89/20/1119018920.db2.gz ALLZEEDSLHZAAD-HNNXBMFYSA-N 0 1 269.392 3.620 20 0 CHADMN Cc1c[nH]c(CNC2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000657365523 1119031700 /nfs/dbraw/zinc/03/17/00/1119031700.db2.gz HASADHIFKOIYPD-UHFFFAOYSA-N 0 1 289.810 3.931 20 0 CHADMN c1ccc2c(CN[C@H](c3cccnc3)C3CCC3)noc2c1 ZINC000582191726 1119032167 /nfs/dbraw/zinc/03/21/67/1119032167.db2.gz JIEYQRNQVBDGOQ-SFHVURJKSA-N 0 1 293.370 3.854 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cc2ccncc2s1 ZINC000657369058 1119035754 /nfs/dbraw/zinc/03/57/54/1119035754.db2.gz WWVOLDMZVBEIPQ-SECBINFHSA-N 0 1 287.388 3.752 20 0 CHADMN Cc1cc(CNCc2c(C3CCC3)cnn2C)c(C)s1 ZINC000657374343 1119038805 /nfs/dbraw/zinc/03/88/05/1119038805.db2.gz LUPLHTSPSRXNOB-UHFFFAOYSA-N 0 1 289.448 3.656 20 0 CHADMN Cc1cnc([C@@H](C)NCc2cc3ccncc3s2)s1 ZINC000657388924 1119048934 /nfs/dbraw/zinc/04/89/34/1119048934.db2.gz QHJFGBIORYUULM-SNVBAGLBSA-N 0 1 289.429 3.912 20 0 CHADMN CCCn1nccc1CNCc1ccc(C)cc1SC ZINC000657393216 1119051910 /nfs/dbraw/zinc/05/19/10/1119051910.db2.gz QGMLTBAXHCZXTA-UHFFFAOYSA-N 0 1 289.448 3.613 20 0 CHADMN Cc1[nH+]c2c(Nc3cc(C)cc(C(=O)[O-])c3)cccn2c1C ZINC001211542541 1119057548 /nfs/dbraw/zinc/05/75/48/1119057548.db2.gz KDMUGCFRHRXAAO-UHFFFAOYSA-N 0 1 295.342 3.701 20 0 CHADMN Fc1cccc(CN2CCC[C@H](F)CC2)c1Cl ZINC001140559864 1119057746 /nfs/dbraw/zinc/05/77/46/1119057746.db2.gz AEVHYSLMUGBPJI-NSHDSACASA-N 0 1 259.727 3.803 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnn(C(C)(C)C)c2)c(C)o1 ZINC000044729975 1119059968 /nfs/dbraw/zinc/05/99/68/1119059968.db2.gz LQIPQXBLKBCYKE-GFCCVEGCSA-N 0 1 275.396 3.699 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2)c(C)o1 ZINC000044730648 1119060042 /nfs/dbraw/zinc/06/00/42/1119060042.db2.gz HALWGZVYUVECJI-QWHCGFSZSA-N 0 1 286.375 3.574 20 0 CHADMN CC1(C)CN(Cc2noc(-c3ccccc3)n2)[C@@H]2CCC[C@@H]21 ZINC000582374058 1119060957 /nfs/dbraw/zinc/06/09/57/1119060957.db2.gz YLJRMGVHVQBESF-LSDHHAIUSA-N 0 1 297.402 3.747 20 0 CHADMN Cc1c[nH]c(CN2CCCCC[C@H]2c2ccccc2)n1 ZINC000628149389 1128819099 /nfs/dbraw/zinc/81/90/99/1128819099.db2.gz XLNOMZURDKERMB-INIZCTEOSA-N 0 1 269.392 3.835 20 0 CHADMN CCCN(Cc1cc(C(=O)OC)ccc1Cl)C1CC1 ZINC000511111291 1119068079 /nfs/dbraw/zinc/06/80/79/1119068079.db2.gz PQWYUTRLRHGKHY-UHFFFAOYSA-N 0 1 281.783 3.501 20 0 CHADMN CCC(CC)C(=O)Nc1ccccc1Nc1ccncc1 ZINC000684850953 1119068880 /nfs/dbraw/zinc/06/88/80/1119068880.db2.gz WKRBRUWTDMZNFM-UHFFFAOYSA-N 0 1 283.375 3.622 20 0 CHADMN CC(C)[C@@H](CC(F)(F)F)NC/C(Cl)=C/Cl ZINC000309079571 1119069538 /nfs/dbraw/zinc/06/95/38/1119069538.db2.gz NWVOIJOZDBTYDH-RBMBQVQZSA-N 0 1 264.118 3.872 20 0 CHADMN C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCC2(C1)CCCCC2 ZINC000582393213 1119069761 /nfs/dbraw/zinc/06/97/61/1119069761.db2.gz PSZSRTIDXZXHCN-OAHLLOKOSA-N 0 1 286.419 3.670 20 0 CHADMN Cc1cc(CNCc2cccc(C3CCCC3)c2)ncn1 ZINC000657419779 1119072313 /nfs/dbraw/zinc/07/23/13/1119072313.db2.gz XHJJVYNHQWBDNX-UHFFFAOYSA-N 0 1 281.403 3.732 20 0 CHADMN Cc1cccc(C)c1NC(=O)c1cc(F)cc2[nH]cnc21 ZINC000127633642 1119075982 /nfs/dbraw/zinc/07/59/82/1119075982.db2.gz SMWXERHIWFYDNI-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1ccc(CNCc2cccc3c2OCCCO3)s1 ZINC000048326854 1119080175 /nfs/dbraw/zinc/08/01/75/1119080175.db2.gz VKLBZHAFZBBNJY-UHFFFAOYSA-N 0 1 289.400 3.508 20 0 CHADMN O=C([O-])c1ccc(F)c(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC000226147681 1119084961 /nfs/dbraw/zinc/08/49/61/1119084961.db2.gz ZCXUELWABWVSOH-MLGOLLRUSA-N 0 1 291.366 3.679 20 0 CHADMN CCCn1nccc1CNCc1ccc(Cl)c(C)c1 ZINC000657435422 1119087963 /nfs/dbraw/zinc/08/79/63/1119087963.db2.gz NOEPPZSKNGROEN-UHFFFAOYSA-N 0 1 277.799 3.545 20 0 CHADMN CCSc1ccc([C@H](C)NCc2cc(C)nn2C)cc1 ZINC000342572627 1119088188 /nfs/dbraw/zinc/08/81/88/1119088188.db2.gz FXZTZNHLJNKVCW-ZDUSSCGKSA-N 0 1 289.448 3.691 20 0 CHADMN CCCn1nccc1CNCc1cccc(C(C)C)c1 ZINC000657436578 1119089535 /nfs/dbraw/zinc/08/95/35/1119089535.db2.gz NAYFDBYRVLMDTE-UHFFFAOYSA-N 0 1 271.408 3.706 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@H](C(C)(C)C)CC2)o1 ZINC000116308329 1119089653 /nfs/dbraw/zinc/08/96/53/1119089653.db2.gz JKBKZVHMYZIPAY-AAEUAGOBSA-N 0 1 265.401 3.587 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1ccc(Cl)nc1Cl ZINC000235081118 1119135313 /nfs/dbraw/zinc/13/53/13/1119135313.db2.gz BUNSNLQNCAJVDZ-QMMMGPOBSA-N 0 1 259.180 3.619 20 0 CHADMN CCCCCN(Cc1nnc(C(C)(C)C)o1)C(C)C ZINC000051709069 1119095874 /nfs/dbraw/zinc/09/58/74/1119095874.db2.gz HQNCEYBGKFCVET-UHFFFAOYSA-N 0 1 267.417 3.768 20 0 CHADMN OCCCC[N@@H+](Cc1ccsc1C(F)(F)F)C1CC1 ZINC000628173620 1128821435 /nfs/dbraw/zinc/82/14/35/1128821435.db2.gz DDAQWEPMOLLUFP-UHFFFAOYSA-N 0 1 293.354 3.504 20 0 CHADMN CCc1nnc(CNC2CCC(C3CCC3)CC2)s1 ZINC000657471058 1119115430 /nfs/dbraw/zinc/11/54/30/1119115430.db2.gz ZUKVMKFOJLINPF-UHFFFAOYSA-N 0 1 279.453 3.549 20 0 CHADMN c1coc(C[N@@H+](Cc2cccs2)C[C@H]2CCCOC2)c1 ZINC000342679806 1119122464 /nfs/dbraw/zinc/12/24/64/1119122464.db2.gz ZKPSBCYWFSMEMC-CQSZACIVSA-N 0 1 291.416 3.770 20 0 CHADMN C[C@H](c1ccccc1F)N(C)Cc1ccc2c(c1)ncn2C ZINC000342681068 1119124071 /nfs/dbraw/zinc/12/40/71/1119124071.db2.gz NQSDQTSPQLYVKG-CYBMUJFWSA-N 0 1 297.377 3.905 20 0 CHADMN CC(C)(C)c1cc(Nc2ccc(Cl)nn2)ccn1 ZINC001213160992 1119125469 /nfs/dbraw/zinc/12/54/69/1119125469.db2.gz XAHBTVPYLYQXJD-UHFFFAOYSA-N 0 1 262.744 3.566 20 0 CHADMN Cc1cc([C@H]2CCCN2CCc2cccc(F)c2F)on1 ZINC000342688597 1119126284 /nfs/dbraw/zinc/12/62/84/1119126284.db2.gz DARWMIYGSIENND-CQSZACIVSA-N 0 1 292.329 3.641 20 0 CHADMN Cc1nc(CN(C)[C@H](C)Cc2ccc(Cl)cc2)[nH]c1C ZINC000628180680 1128823334 /nfs/dbraw/zinc/82/33/34/1128823334.db2.gz ZWDSUYGORBQWGU-LLVKDONJSA-N 0 1 291.826 3.743 20 0 CHADMN CN(CCc1ccc(F)cc1)Cc1nc(C2CC2)cs1 ZINC000342695678 1119129244 /nfs/dbraw/zinc/12/92/44/1119129244.db2.gz PNQXNTYCEKVAGV-UHFFFAOYSA-N 0 1 290.407 3.834 20 0 CHADMN C[C@@H]1CN(C[C@]2(C)CCCS2)C[C@@H](c2ccsc2)O1 ZINC000628185940 1128823826 /nfs/dbraw/zinc/82/38/26/1128823826.db2.gz RHFSBEWKUUIQOM-SNPRPXQTSA-N 0 1 297.489 3.796 20 0 CHADMN C[C@@H]1SCC[C@H]1NCc1csc(-c2ccsc2)n1 ZINC000647258192 1119138226 /nfs/dbraw/zinc/13/82/26/1119138226.db2.gz VGFZQBZOONLPNG-JOYOIKCWSA-N 0 1 296.486 3.855 20 0 CHADMN C[C@H]1SCC[C@@H]1NCc1csc(-c2ccsc2)n1 ZINC000647258193 1119138491 /nfs/dbraw/zinc/13/84/91/1119138491.db2.gz VGFZQBZOONLPNG-SKDRFNHKSA-N 0 1 296.486 3.855 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2cccnc21)c1c(C)nn(C)c1C ZINC000684958210 1119142118 /nfs/dbraw/zinc/14/21/18/1119142118.db2.gz VMZXVHQCJVHVAJ-JKSUJKDBSA-N 0 1 298.434 3.550 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3cccnc31)CC2 ZINC000684958565 1119143177 /nfs/dbraw/zinc/14/31/77/1119143177.db2.gz PDGMINHBFSCUDF-DLBZAZTESA-N 0 1 282.362 3.875 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2cnc(C)o2)o1 ZINC000628188513 1128824475 /nfs/dbraw/zinc/82/44/75/1128824475.db2.gz CPKRAZFDNTXXTH-IAQYHMDHSA-N 0 1 274.364 3.858 20 0 CHADMN Fc1ccc([C@@H]2CCC[N@H+]2Cc2cccc3nccn32)cc1 ZINC000342724730 1119143395 /nfs/dbraw/zinc/14/33/95/1119143395.db2.gz PJFMWGIGRDTKNU-KRWDZBQOSA-N 0 1 295.361 3.811 20 0 CHADMN Fc1ccc([C@@H]2CCCN2Cc2cccc3nccn32)cc1 ZINC000342724730 1119143398 /nfs/dbraw/zinc/14/33/98/1119143398.db2.gz PJFMWGIGRDTKNU-KRWDZBQOSA-N 0 1 295.361 3.811 20 0 CHADMN CC(C)(C)c1cc(Nc2cncc(C(F)(F)F)n2)ccn1 ZINC001213162962 1119145818 /nfs/dbraw/zinc/14/58/18/1119145818.db2.gz OSZWBTNWFUCFSU-UHFFFAOYSA-N 0 1 296.296 3.932 20 0 CHADMN C[C@@H](NC1(C2CC2)CCOCC1)c1ncc(C(C)(C)C)o1 ZINC000375727557 1119148542 /nfs/dbraw/zinc/14/85/42/1119148542.db2.gz QYKIRZCEJLHTSB-GFCCVEGCSA-N 0 1 292.423 3.582 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cccc2cc[nH]c21 ZINC000226766536 1119149941 /nfs/dbraw/zinc/14/99/41/1119149941.db2.gz WUOZLKVESCPWBK-SNVBAGLBSA-N 0 1 269.348 3.624 20 0 CHADMN C[C@@H]1CC[C@H](C)N1C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000934584041 1119151325 /nfs/dbraw/zinc/15/13/25/1119151325.db2.gz VOSKJFYCZWLWJM-DTORHVGOSA-N 0 1 293.317 3.514 20 0 CHADMN CCCn1nccc1CNCc1cc(Cl)cc(Cl)c1 ZINC000657524242 1119154894 /nfs/dbraw/zinc/15/48/94/1119154894.db2.gz NJQIXHJTZCYSBG-UHFFFAOYSA-N 0 1 298.217 3.890 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccccc2C1)c1nc(C(C)(C)C)no1 ZINC000237364199 1119156035 /nfs/dbraw/zinc/15/60/35/1119156035.db2.gz WYTBIJQHYIHXBV-IUODEOHRSA-N 0 1 299.418 3.575 20 0 CHADMN COc1cccc(CN[C@H](C)c2c(C)cccc2C)n1 ZINC000342782997 1119164906 /nfs/dbraw/zinc/16/49/06/1119164906.db2.gz PWGYBWXGKQHVKG-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1cnc(CN(Cc2ccccc2)[C@H](C)C2CC2)n1C ZINC000342789065 1119169295 /nfs/dbraw/zinc/16/92/95/1119169295.db2.gz WXIJPXGBGRQQEF-OAHLLOKOSA-N 0 1 283.419 3.529 20 0 CHADMN CCc1ccc(CC)c(NC(=O)c2cccc3cn[nH]c32)c1 ZINC000075366184 1119176155 /nfs/dbraw/zinc/17/61/55/1119176155.db2.gz JAMCXZFXMOXXPD-UHFFFAOYSA-N 0 1 293.370 3.940 20 0 CHADMN Cc1nc(C)c(CNCc2ccccc2COC(C)C)o1 ZINC000628201063 1128827100 /nfs/dbraw/zinc/82/71/00/1128827100.db2.gz PJJLHLXAZRRVBW-UHFFFAOYSA-N 0 1 288.391 3.506 20 0 CHADMN CCc1cnc(CN(C)[C@H](C)Cc2ccc(Cl)cc2)o1 ZINC000075749960 1119179093 /nfs/dbraw/zinc/17/90/93/1119179093.db2.gz RUURTWZFBZMDPV-GFCCVEGCSA-N 0 1 292.810 3.953 20 0 CHADMN CC(C)N(Cc1ccccn1)Cc1ccccc1N(C)C ZINC000075642895 1119179174 /nfs/dbraw/zinc/17/91/74/1119179174.db2.gz GSIFLGIIFJROAC-UHFFFAOYSA-N 0 1 283.419 3.558 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000075885854 1119179918 /nfs/dbraw/zinc/17/99/18/1119179918.db2.gz YUFGSIMBYVQKGE-INIZCTEOSA-N 0 1 299.418 3.709 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1nnc(C2CC2)o1 ZINC000075885854 1119179920 /nfs/dbraw/zinc/17/99/20/1119179920.db2.gz YUFGSIMBYVQKGE-INIZCTEOSA-N 0 1 299.418 3.709 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(C)o2)C2CCCC2)n(C)n1 ZINC000342809582 1119185038 /nfs/dbraw/zinc/18/50/38/1119185038.db2.gz LIJGNSXSZJUCHF-QGZVFWFLSA-N 0 1 287.407 3.651 20 0 CHADMN Cc1cccc(C)c1CNCc1cccnc1N1CCCC1 ZINC000657569227 1119187547 /nfs/dbraw/zinc/18/75/47/1119187547.db2.gz HXAPKYJXIJQRIZ-UHFFFAOYSA-N 0 1 295.430 3.588 20 0 CHADMN CC(C)n1ccc(CN(C)[C@H](C)Cc2cccs2)n1 ZINC001167608029 1119187653 /nfs/dbraw/zinc/18/76/53/1119187653.db2.gz IJNCPFBWSBGKRI-CYBMUJFWSA-N 0 1 277.437 3.589 20 0 CHADMN CCO[C@H](C)c1nc(CN(C)C(C)(C)CC)cs1 ZINC000076730560 1119189517 /nfs/dbraw/zinc/18/95/17/1119189517.db2.gz CXOFUKQYFZBYLS-LLVKDONJSA-N 0 1 270.442 3.861 20 0 CHADMN Cc1ncc(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)o1 ZINC000628210129 1128827707 /nfs/dbraw/zinc/82/77/07/1128827707.db2.gz HXGIZHDWEIJUMV-HNNXBMFYSA-N 0 1 276.355 3.999 20 0 CHADMN Cc1ccc(C)c(CNCc2cccnc2N2CCCC2)c1 ZINC000657571676 1119190211 /nfs/dbraw/zinc/19/02/11/1119190211.db2.gz UZBJXFPJFVBSPA-UHFFFAOYSA-N 0 1 295.430 3.588 20 0 CHADMN CCc1ccc(CNCc2ccc3occc3c2)o1 ZINC000657586168 1119198972 /nfs/dbraw/zinc/19/89/72/1119198972.db2.gz WQLAHOYBQDGGQF-UHFFFAOYSA-N 0 1 255.317 3.878 20 0 CHADMN COc1cccc2c1CCN(Cc1cc(F)ccc1C)C2 ZINC001140592399 1119203287 /nfs/dbraw/zinc/20/32/87/1119203287.db2.gz KPUKVEWMRKJCHS-UHFFFAOYSA-N 0 1 285.362 3.701 20 0 CHADMN Cc1nc(C2(NC[C@H](C)c3ccc(C)cc3)CCCC2)no1 ZINC000628211386 1128829192 /nfs/dbraw/zinc/82/91/92/1128829192.db2.gz ZYRJIUYTNKQWJZ-AWEZNQCLSA-N 0 1 299.418 3.849 20 0 CHADMN FC1(F)C[C@@H]1OCCNCc1cccc(Cl)c1Cl ZINC000657618048 1119209580 /nfs/dbraw/zinc/20/95/80/1119209580.db2.gz HTPZBQBQQKFXLE-JTQLQIEISA-N 0 1 296.144 3.507 20 0 CHADMN Cc1cc(CN2CCCO[C@@H](C)C2)cc(C(F)(F)F)c1 ZINC001143447730 1119215387 /nfs/dbraw/zinc/21/53/87/1119215387.db2.gz GMDBTNZOKFAEGH-LBPRGKRZSA-N 0 1 287.325 3.625 20 0 CHADMN CC(C)(C)c1cc(Nc2nccnc2C(F)(F)F)ccn1 ZINC001213164410 1119219953 /nfs/dbraw/zinc/21/99/53/1119219953.db2.gz QATVJMRUHOFPOR-UHFFFAOYSA-N 0 1 296.296 3.932 20 0 CHADMN Clc1ccc(CN[C@H]2C[C@H](Oc3ccccc3)C2)o1 ZINC000657645707 1119222259 /nfs/dbraw/zinc/22/22/59/1119222259.db2.gz FOXWWBJTVMTXRI-YEORSEQZSA-N 0 1 277.751 3.633 20 0 CHADMN CN(C)c1cccc(CN(C)Cc2cc3ccccc3o2)n1 ZINC001167622859 1119225941 /nfs/dbraw/zinc/22/59/41/1119225941.db2.gz ZTTZTGOGJARWKV-UHFFFAOYSA-N 0 1 295.386 3.526 20 0 CHADMN C[C@]1(CNCc2nc(C(F)(F)F)cs2)CCCS1 ZINC000628218789 1128830511 /nfs/dbraw/zinc/83/05/11/1128830511.db2.gz QMWJJDBYCJIKHZ-SNVBAGLBSA-N 0 1 296.383 3.537 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@@H](C)c2cnc(C)nc2C)c1 ZINC000120577230 1119243840 /nfs/dbraw/zinc/24/38/40/1119243840.db2.gz URHJLNQCNCKLJU-OLZOCXBDSA-N 0 1 299.418 3.904 20 0 CHADMN COc1ccc([C@@H](NCc2ccoc2C)C2CC2)c(F)c1 ZINC000643345067 1119246234 /nfs/dbraw/zinc/24/62/34/1119246234.db2.gz RGGMOJQAVSMVBM-KRWDZBQOSA-N 0 1 289.350 3.977 20 0 CHADMN COCc1cnc(CN2CCC[C@@H](C(C)(C)C)CC2)s1 ZINC000342916691 1119246404 /nfs/dbraw/zinc/24/64/04/1119246404.db2.gz KBTJGEWAGDXYOY-CYBMUJFWSA-N 0 1 296.480 3.938 20 0 CHADMN Cc1ncc(CN2CCC[C@H]2/C=C/c2ccccc2)o1 ZINC000628236255 1128832411 /nfs/dbraw/zinc/83/24/11/1128832411.db2.gz VJDOKHFNLXWSOV-SCOAYWHSSA-N 0 1 268.360 3.661 20 0 CHADMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1cnc(C)o1 ZINC000628234485 1128832752 /nfs/dbraw/zinc/83/27/52/1128832752.db2.gz CHNFDFGTLHIHTP-BMIGLBTASA-N 0 1 294.782 3.502 20 0 CHADMN FC(F)(F)c1cccc(CN2CC(C3CC3)C2)c1 ZINC000643345634 1119264761 /nfs/dbraw/zinc/26/47/61/1119264761.db2.gz CQQSEGHLOVAGDW-UHFFFAOYSA-N 0 1 255.283 3.547 20 0 CHADMN Fc1cnc(Cl)cc1CN1C2CCCC1CCC2 ZINC001140611648 1119271701 /nfs/dbraw/zinc/27/17/01/1119271701.db2.gz NELZHOMNFITIQP-UHFFFAOYSA-N 0 1 268.763 3.781 20 0 CHADMN CCC[C@H](C)N(C)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000050813966 1119280186 /nfs/dbraw/zinc/28/01/86/1119280186.db2.gz MNGSMICDRYHIJK-VIFPVBQESA-N 0 1 292.452 3.511 20 0 CHADMN Cc1nccn1-c1ccc(CN[C@H](C)c2ccco2)cc1F ZINC000153719780 1119281510 /nfs/dbraw/zinc/28/15/10/1119281510.db2.gz MCRQBJIIOJRDLE-GFCCVEGCSA-N 0 1 299.349 3.764 20 0 CHADMN CC(C)C[C@H](NC(=O)/C=C/C1CC1)c1nc2ccccc2[nH]1 ZINC000079434793 1119284200 /nfs/dbraw/zinc/28/42/00/1119284200.db2.gz OWLAWDMABMUYHE-SCOAYWHSSA-N 0 1 297.402 3.733 20 0 CHADMN Cc1nc(C)c(CNCCSc2ccc(Cl)cc2)o1 ZINC000628200115 1119284324 /nfs/dbraw/zinc/28/43/24/1119284324.db2.gz YIDGGVPCPYEKGZ-UHFFFAOYSA-N 0 1 296.823 3.827 20 0 CHADMN CCC(C)(C)N(C)Cc1nc(Cc2ccccc2C)no1 ZINC000079435113 1119284457 /nfs/dbraw/zinc/28/44/57/1119284457.db2.gz NRBOFROLOMRJRP-UHFFFAOYSA-N 0 1 287.407 3.589 20 0 CHADMN CC(C)(CF)NCc1cnc(C2CCCC2)s1 ZINC000349821763 1119284643 /nfs/dbraw/zinc/28/46/43/1119284643.db2.gz MRIHGBODJJWKJR-UHFFFAOYSA-N 0 1 256.390 3.638 20 0 CHADMN CCc1ccc(C(=O)Nc2c(C)n[nH]c2C(F)F)s1 ZINC000779288191 1128835559 /nfs/dbraw/zinc/83/55/59/1128835559.db2.gz HRBUKTGUQOBNCP-UHFFFAOYSA-N 0 1 285.319 3.532 20 0 CHADMN c1nc(CN2CCC3(CCC3)C2)oc1-c1ccccc1 ZINC000123311380 1119294039 /nfs/dbraw/zinc/29/40/39/1119294039.db2.gz FYLHOVKXCVZFFC-UHFFFAOYSA-N 0 1 268.360 3.718 20 0 CHADMN C[C@H](NCc1cccc(-c2ccccn2)c1)c1ccccn1 ZINC000126280740 1119297305 /nfs/dbraw/zinc/29/73/05/1119297305.db2.gz ZGIDOYPPDZNWKU-HNNXBMFYSA-N 0 1 289.382 3.994 20 0 CHADMN Clc1ccccc1CN1CCN(CC2=CCCC2)CC1 ZINC001167656097 1119302043 /nfs/dbraw/zinc/30/20/43/1119302043.db2.gz GBFFNXCVOGWVAR-UHFFFAOYSA-N 0 1 290.838 3.568 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C)C[C@@H]2c2ccco2)nc1 ZINC000154182120 1119304465 /nfs/dbraw/zinc/30/44/65/1119304465.db2.gz YUJAIMLRASNLRK-CZUORRHYSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1nc2cc(Nc3cc(C)cnc3Cl)ccc2[nH]1 ZINC001213070556 1128836908 /nfs/dbraw/zinc/83/69/08/1128836908.db2.gz VYTPAFGFJMWHLH-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1nc2ccc(Nc3cc(C)cnc3Cl)cc2[nH]1 ZINC001213070556 1128836910 /nfs/dbraw/zinc/83/69/10/1128836910.db2.gz VYTPAFGFJMWHLH-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1cnc([C@@H](C)NCCSc2ccccc2)s1 ZINC000124344455 1119312148 /nfs/dbraw/zinc/31/21/48/1119312148.db2.gz VGCJNTPGMXOEQB-GFCCVEGCSA-N 0 1 278.446 3.894 20 0 CHADMN CC[C@@H]1CN(Cc2nccc(C)n2)CC[C@H]1c1ccccc1 ZINC000535962959 1119316278 /nfs/dbraw/zinc/31/62/78/1119316278.db2.gz IWXMIEBAWXINCF-SJLPKXTDSA-N 0 1 295.430 3.801 20 0 CHADMN Cc1nc2cc(Nc3c(Cl)cncc3Cl)ccc2[nH]1 ZINC001213070581 1128837521 /nfs/dbraw/zinc/83/75/21/1128837521.db2.gz XMURLGYGEOXYMA-UHFFFAOYSA-N 0 1 293.157 3.739 20 0 CHADMN Cc1nc2ccc(Nc3c(Cl)cncc3Cl)cc2[nH]1 ZINC001213070581 1128837525 /nfs/dbraw/zinc/83/75/25/1128837525.db2.gz XMURLGYGEOXYMA-UHFFFAOYSA-N 0 1 293.157 3.739 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccc(C)cc3C)C2)[nH]c1C ZINC000628255400 1128837926 /nfs/dbraw/zinc/83/79/26/1128837926.db2.gz LLOSAFMCOUPCEL-MRXNPFEDSA-N 0 1 283.419 3.633 20 0 CHADMN CN(Cc1nc2ccccc2n1C(F)F)C(C)(C)C ZINC000583261024 1119329082 /nfs/dbraw/zinc/32/90/82/1119329082.db2.gz FEXDYKGAAZMHSA-UHFFFAOYSA-N 0 1 267.323 3.662 20 0 CHADMN CC[C@H]1CCN(Cc2nc(C)c(C(C)(C)C)s2)C1 ZINC001167663466 1119330366 /nfs/dbraw/zinc/33/03/66/1119330366.db2.gz IIHYIRUVZJMQJL-LBPRGKRZSA-N 0 1 266.454 3.981 20 0 CHADMN CC(C)[N@H+](Cc1ccccn1)C[C@@H]1CCC2(CCCC2)O1 ZINC000583275306 1119332023 /nfs/dbraw/zinc/33/20/23/1119332023.db2.gz XPWQFZKDXSIYAC-KRWDZBQOSA-N 0 1 288.435 3.784 20 0 CHADMN COCc1ccc(CNCc2ccc(OC(C)C)cc2)o1 ZINC000125402360 1119332047 /nfs/dbraw/zinc/33/20/47/1119332047.db2.gz AXROKKQTHCEGCP-UHFFFAOYSA-N 0 1 289.375 3.503 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2CCc3cccc(C)c32)o1 ZINC000926477039 1119335976 /nfs/dbraw/zinc/33/59/76/1119335976.db2.gz JAMCWMYTAJPPBZ-CQSZACIVSA-N 0 1 270.376 3.631 20 0 CHADMN CC(C)C(C[N@@H+](CC(=O)[O-])Cc1ccccc1)C(C)C ZINC000692415953 1119337333 /nfs/dbraw/zinc/33/73/33/1119337333.db2.gz QCIGVTFLPVJMTJ-UHFFFAOYSA-N 0 1 277.408 3.501 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H](C)CC(F)(F)F)c(C)s1 ZINC000231791812 1119342778 /nfs/dbraw/zinc/34/27/78/1119342778.db2.gz FQRKAVZRHSDDEO-NKWVEPMBSA-N 0 1 266.332 3.751 20 0 CHADMN c1csc(-c2cc(CN3CC[C@H]4CCC[C@@H]43)no2)c1 ZINC000426456001 1119350277 /nfs/dbraw/zinc/35/02/77/1119350277.db2.gz CIIGWBPKFUZVDA-YPMHNXCESA-N 0 1 274.389 3.778 20 0 CHADMN CC[N@@H+](Cc1ccoc1)Cc1c[nH]nc1-c1cccs1 ZINC000092935832 1119351400 /nfs/dbraw/zinc/35/14/00/1119351400.db2.gz NBOHABFNSSJYHB-UHFFFAOYSA-N 0 1 287.388 3.753 20 0 CHADMN CCN(Cc1ccoc1)Cc1c[nH]nc1-c1cccs1 ZINC000092935832 1119351402 /nfs/dbraw/zinc/35/14/02/1119351402.db2.gz NBOHABFNSSJYHB-UHFFFAOYSA-N 0 1 287.388 3.753 20 0 CHADMN OCC[C@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 ZINC000093107450 1119355808 /nfs/dbraw/zinc/35/58/08/1119355808.db2.gz FMUCDMCXGFCXIY-LLVKDONJSA-N 0 1 288.218 3.588 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(C2CC2)c1)c1ccnnc1 ZINC000926493630 1119359108 /nfs/dbraw/zinc/35/91/08/1119359108.db2.gz WWRGVIKGLULRHK-QWHCGFSZSA-N 0 1 267.376 3.766 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2NC[C@H]1CCCCC1(F)F ZINC000926502334 1119367772 /nfs/dbraw/zinc/36/77/72/1119367772.db2.gz NTCJRKNTLSLIQR-VXGBXAGGSA-N 0 1 284.350 3.776 20 0 CHADMN Cc1cccc2c1[C@H](NCc1cc(F)cnc1Cl)CC2 ZINC000926504394 1119371267 /nfs/dbraw/zinc/37/12/67/1119371267.db2.gz UAUCFKAIRFNTSM-CQSZACIVSA-N 0 1 290.769 3.960 20 0 CHADMN Cc1c(CN(C)Cc2c(C)c(C)c(C)c(C)c2C)cnn1C ZINC000580033592 1119373139 /nfs/dbraw/zinc/37/31/39/1119373139.db2.gz PXSXDLQYOJXGBZ-UHFFFAOYSA-N 0 1 299.462 3.903 20 0 CHADMN CN(C)c1ccc(CN2CCCCC[C@@H]2c2ccco2)cn1 ZINC000126853264 1119377390 /nfs/dbraw/zinc/37/73/90/1119377390.db2.gz MIMZRDSMMFUILV-MRXNPFEDSA-N 0 1 299.418 3.858 20 0 CHADMN FC(F)(F)c1csc(CNC2CC3(CCC3)C2)n1 ZINC000448075635 1119377598 /nfs/dbraw/zinc/37/75/98/1119377598.db2.gz WPZANXLIXGPRFE-UHFFFAOYSA-N 0 1 276.327 3.584 20 0 CHADMN CC[C@@H](c1cccc(OC)c1)N(C)Cc1cnc(C)o1 ZINC000628282635 1128842089 /nfs/dbraw/zinc/84/20/89/1128842089.db2.gz MFKAYFSHOXGLBP-INIZCTEOSA-N 0 1 274.364 3.575 20 0 CHADMN CC(C)CC1(NCc2ncc(Br)s2)CC1 ZINC000657775584 1119386050 /nfs/dbraw/zinc/38/60/50/1119386050.db2.gz RYYBGXFVGUEZAP-UHFFFAOYSA-N 0 1 289.242 3.574 20 0 CHADMN CC(C)CCCN1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000429057348 1119390353 /nfs/dbraw/zinc/39/03/53/1119390353.db2.gz ZWNVFFWVGBQBQJ-UKRRQHHQSA-N 0 1 267.438 3.946 20 0 CHADMN Cc1ncc(CN2CCC(c3ccc(F)cc3C)CC2)o1 ZINC000628290415 1128843056 /nfs/dbraw/zinc/84/30/56/1128843056.db2.gz DEKFNXWPJZWGQC-UHFFFAOYSA-N 0 1 288.366 3.810 20 0 CHADMN COc1cccc(C2(NCc3occc3C)CCC2)c1 ZINC000657781668 1119393279 /nfs/dbraw/zinc/39/32/79/1119393279.db2.gz JIOUBZWYQWQIRO-UHFFFAOYSA-N 0 1 271.360 3.766 20 0 CHADMN CO[C@H](CNCc1ncc(C(C)C)s1)C1CCCCC1 ZINC000657782314 1119394394 /nfs/dbraw/zinc/39/43/94/1119394394.db2.gz MDKXKZZYHMAOFU-CQSZACIVSA-N 0 1 296.480 3.951 20 0 CHADMN Cc1ccc(Br)cc1CN1CCC[C@H]2C[C@H]21 ZINC001140650608 1119395240 /nfs/dbraw/zinc/39/52/40/1119395240.db2.gz YELJLUFZJKNVFP-SMDDNHRTSA-N 0 1 280.209 3.742 20 0 CHADMN Cc1nn(C)c(C)c1C[N@H+]1CCCC2(CCCC2)CC1 ZINC000661229099 1119396016 /nfs/dbraw/zinc/39/60/16/1119396016.db2.gz YGQQSMUVEHMYJQ-UHFFFAOYSA-N 0 1 275.440 3.583 20 0 CHADMN Cc1nnc([C@H](C)N2CCCC3(CCCC3)CC2)s1 ZINC000661231127 1119397393 /nfs/dbraw/zinc/39/73/93/1119397393.db2.gz ILFQAOGBAHGEAC-LBPRGKRZSA-N 0 1 279.453 3.954 20 0 CHADMN C[C@@H]1CCN(C(=O)c2cccc3[nH]ncc32)c2ccccc21 ZINC000343364310 1119397607 /nfs/dbraw/zinc/39/76/07/1119397607.db2.gz BGUYPFBAKIQUNW-GFCCVEGCSA-N 0 1 291.354 3.717 20 0 CHADMN CCc1ccc(C2=CCN(Cc3cnoc3C)CC2)cc1 ZINC000129671157 1119398674 /nfs/dbraw/zinc/39/86/74/1119398674.db2.gz LAFGTIZUYXJQLN-UHFFFAOYSA-N 0 1 282.387 3.835 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1cnc(C2CC2)o1 ZINC000628120963 1119401272 /nfs/dbraw/zinc/40/12/72/1119401272.db2.gz LPXNKBOIKKJUKW-LBPRGKRZSA-N 0 1 256.349 3.745 20 0 CHADMN CC1(C)[C@H](C(F)(F)F)CCN1Cc1cccc(F)c1N ZINC000380214067 1128843709 /nfs/dbraw/zinc/84/37/09/1128843709.db2.gz IGIHGFCBALAKQM-LLVKDONJSA-N 0 1 290.304 3.571 20 0 CHADMN CC[C@H](C)[C@H](C[N@@H+](C)Cc1cc2ccccc2[nH]1)OC ZINC001204609766 1119416071 /nfs/dbraw/zinc/41/60/71/1119416071.db2.gz YPAOHDGEVYEYED-GUYCJALGSA-N 0 1 274.408 3.661 20 0 CHADMN C[C@H](NCC[C@H]1CCc2ccccc2N1)c1cscn1 ZINC000650759538 1119419256 /nfs/dbraw/zinc/41/92/56/1119419256.db2.gz LPZDMTXPRRARDB-GXTWGEPZSA-N 0 1 287.432 3.611 20 0 CHADMN COc1ccc2nc(-c3ccnc4ccccc43)[nH]c2c1 ZINC000167704525 1119427226 /nfs/dbraw/zinc/42/72/26/1119427226.db2.gz JJYWXRGVXOJSAI-UHFFFAOYSA-N 0 1 275.311 3.787 20 0 CHADMN COc1cccc(CNCc2ccc(C)cc2OC)c1C ZINC000657803149 1119429846 /nfs/dbraw/zinc/42/98/46/1119429846.db2.gz ISQQPAZUOICQRH-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN CC(C)c1noc([C@H](C)N2CCCC3(CC3)CC2)n1 ZINC000626113687 1119435142 /nfs/dbraw/zinc/43/51/42/1119435142.db2.gz BNKYXUYYQINEGQ-LBPRGKRZSA-N 0 1 263.385 3.520 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccc(C)o1)c1c(C)nn(C)c1C ZINC000158198633 1119435973 /nfs/dbraw/zinc/43/59/73/1119435973.db2.gz YWNDBUZLNDIATI-SMDDNHRTSA-N 0 1 275.396 3.740 20 0 CHADMN COc1c(C)cc([C@H](C)N[C@@H](C)c2cn[nH]c2)cc1Cl ZINC000796848612 1119438309 /nfs/dbraw/zinc/43/83/09/1119438309.db2.gz YMQSPXRVHIYXKQ-QWRGUYRKSA-N 0 1 293.798 3.792 20 0 CHADMN C[C@@H]1CN(C(=O)c2cc(C3CCCCC3)[nH]n2)C(C)(C)C1 ZINC000536172656 1119442707 /nfs/dbraw/zinc/44/27/07/1119442707.db2.gz KADNBSJCULVXHK-LBPRGKRZSA-N 0 1 289.423 3.718 20 0 CHADMN CC(C)(C)C1CCN(Cc2cccnc2Cl)CC1 ZINC000052717465 1119445337 /nfs/dbraw/zinc/44/53/37/1119445337.db2.gz ZCTYZCUIKAAVHV-UHFFFAOYSA-N 0 1 266.816 3.993 20 0 CHADMN c1coc(CN(CCOCC2CC2)Cc2ccccc2)c1 ZINC000158413214 1119449012 /nfs/dbraw/zinc/44/90/12/1119449012.db2.gz RFEHDGLDUQDIHF-UHFFFAOYSA-N 0 1 285.387 3.708 20 0 CHADMN Cc1ccccc1[C@@H](N[C@@H](C)c1cnccn1)C1CC1 ZINC000343563635 1119455793 /nfs/dbraw/zinc/45/57/93/1119455793.db2.gz AHRUFYIVBHHBCN-GUYCJALGSA-N 0 1 267.376 3.587 20 0 CHADMN COc1cccc([C@H](C)N[C@@H](C)c2ccc(F)cn2)c1 ZINC000147766388 1119456616 /nfs/dbraw/zinc/45/66/16/1119456616.db2.gz HZNJYXYXPRMCRT-RYUDHWBXSA-N 0 1 274.339 3.641 20 0 CHADMN Cc1nc2c(n1CCc1ccc(Cl)cc1)CCCC2 ZINC000308498185 1119461917 /nfs/dbraw/zinc/46/19/17/1119461917.db2.gz FDEHOIBKIKYIDB-UHFFFAOYSA-N 0 1 274.795 3.966 20 0 CHADMN CSc1ccc(CN[C@H](c2ccccc2)[C@H](C)O)s1 ZINC000657819372 1119462168 /nfs/dbraw/zinc/46/21/68/1119462168.db2.gz RFCXYCOISDSTSA-NHYWBVRUSA-N 0 1 293.457 3.682 20 0 CHADMN CCS[C@@H](C)c1noc(CN[C@@H](CC)C(C)(C)C)n1 ZINC000343588053 1119464780 /nfs/dbraw/zinc/46/47/80/1119464780.db2.gz HLEZBQNXIOOBLR-QWRGUYRKSA-N 0 1 285.457 3.798 20 0 CHADMN Cc1ccc(CN[C@H](c2ccccc2)[C@@H](C)O)c(Cl)c1 ZINC000657821181 1119465249 /nfs/dbraw/zinc/46/52/49/1119465249.db2.gz WZJDQHDRRTYNCM-DYVFJYSZSA-N 0 1 289.806 3.860 20 0 CHADMN C[N@H+](Cc1nc(-c2c(F)cccc2F)cs1)CC1CC1 ZINC000158720511 1119467326 /nfs/dbraw/zinc/46/73/26/1119467326.db2.gz SGZREVUBAXTGCD-UHFFFAOYSA-N 0 1 294.370 3.930 20 0 CHADMN CN(Cc1nc(-c2c(F)cccc2F)cs1)CC1CC1 ZINC000158720511 1119467329 /nfs/dbraw/zinc/46/73/29/1119467329.db2.gz SGZREVUBAXTGCD-UHFFFAOYSA-N 0 1 294.370 3.930 20 0 CHADMN C[C@H](C1CC1)[N@@H+](CC[C@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000565102656 1119472736 /nfs/dbraw/zinc/47/27/36/1119472736.db2.gz HNUGMLMJOIDBOA-DYVFJYSZSA-N 0 1 287.403 3.508 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)Cc1ccc(CO)cc1 ZINC000168736636 1119473316 /nfs/dbraw/zinc/47/33/16/1119473316.db2.gz CWGNJFLVVVQJIL-ZDUSSCGKSA-N 0 1 273.351 3.511 20 0 CHADMN Fc1ccccc1[C@H]1CCN(Cc2cnc(C3CC3)o2)C1 ZINC000628168508 1119477348 /nfs/dbraw/zinc/47/73/48/1119477348.db2.gz YRNNKJQLWLASPY-ZDUSSCGKSA-N 0 1 286.350 3.681 20 0 CHADMN CSCCCN(C)Cc1cnc(C2CCC2)s1 ZINC000343658597 1119480776 /nfs/dbraw/zinc/48/07/76/1119480776.db2.gz MQASOUKUDQIQLD-UHFFFAOYSA-N 0 1 270.467 3.596 20 0 CHADMN C[C@H](NCc1ccsc1)c1ccc(C(F)F)nc1 ZINC000657833641 1119484330 /nfs/dbraw/zinc/48/43/30/1119484330.db2.gz BIFDVYNGXQORJN-VIFPVBQESA-N 0 1 268.332 3.932 20 0 CHADMN CSCCCN(C)Cc1cnc(CC(C)C)s1 ZINC000343688941 1119487052 /nfs/dbraw/zinc/48/70/52/1119487052.db2.gz ZNASKRCFPAOHIT-UHFFFAOYSA-N 0 1 272.483 3.527 20 0 CHADMN CSCCCN(C)Cc1cc(Cl)ccc1F ZINC000343687309 1119487691 /nfs/dbraw/zinc/48/76/91/1119487691.db2.gz XQCATLKLMHYLQR-UHFFFAOYSA-N 0 1 261.793 3.664 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H]2CC[C@H](C)C[C@H]2C)n1 ZINC000248575054 1119490321 /nfs/dbraw/zinc/49/03/21/1119490321.db2.gz SVZQAARVDUODEQ-UMSGYPCISA-N 0 1 297.468 3.798 20 0 CHADMN Cc1ccccc1[C@@H]1CN(C[C@@H]2CCCC2(F)F)CCO1 ZINC000562697671 1119497043 /nfs/dbraw/zinc/49/70/43/1119497043.db2.gz LQBTXBWNZUWIFU-HOCLYGCPSA-N 0 1 295.373 3.804 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@H](C)c2nccnc2C)cc1 ZINC000219088522 1119500065 /nfs/dbraw/zinc/50/00/65/1119500065.db2.gz ZRLYYNCDPZUVQA-TZMCWYRMSA-N 0 1 285.391 3.596 20 0 CHADMN Cc1noc([C@H](N[C@H](C)Cc2ccc(C)cc2)C(C)C)n1 ZINC000167946499 1119501557 /nfs/dbraw/zinc/50/15/57/1119501557.db2.gz NSFSGRKCQWUJQP-CZUORRHYSA-N 0 1 287.407 3.604 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@H](C3CCCCC3)C2)n1 ZINC000628352604 1128850604 /nfs/dbraw/zinc/85/06/04/1128850604.db2.gz OFXGLLBROHQBMD-HNNXBMFYSA-N 0 1 261.413 3.510 20 0 CHADMN Cc1cccc(CN[C@H](C)c2cc3ccncc3s2)n1 ZINC000657845890 1119509517 /nfs/dbraw/zinc/50/95/17/1119509517.db2.gz YQBBCTKAZMMKDJ-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000003754763 1119512538 /nfs/dbraw/zinc/51/25/38/1119512538.db2.gz SVQIFCBJTPRJSN-SFHVURJKSA-N 0 1 295.382 3.793 20 0 CHADMN Cc1cc(CN2CCC3(CCO3)CC2)cc(C(F)(F)F)c1 ZINC001143454491 1119512670 /nfs/dbraw/zinc/51/26/70/1119512670.db2.gz CNNHEJSETVHRRW-UHFFFAOYSA-N 0 1 299.336 3.769 20 0 CHADMN CC(C)=CCN1CCC[C@H]1c1nc2ccccc2n1C ZINC000084116766 1119525689 /nfs/dbraw/zinc/52/56/89/1119525689.db2.gz NEDHMHFGASCHQC-INIZCTEOSA-N 0 1 269.392 3.676 20 0 CHADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]CC[C@@H](C)c2ccccc2)n1 ZINC000628374783 1128852159 /nfs/dbraw/zinc/85/21/59/1128852159.db2.gz BHWZTERVHHURMP-CYBMUJFWSA-N 0 1 299.418 3.509 20 0 CHADMN C[C@@H](Cc1ccoc1)NCc1csc(-c2ccco2)n1 ZINC000084961349 1119531674 /nfs/dbraw/zinc/53/16/74/1119531674.db2.gz ABGFZOPDDGRBCO-NSHDSACASA-N 0 1 288.372 3.717 20 0 CHADMN CC(C)(C)c1nc(-c2ccccc2O)nc(C(C)(C)C)n1 ZINC000167987669 1119533683 /nfs/dbraw/zinc/53/36/83/1119533683.db2.gz YSSYJGUBRBPHBC-UHFFFAOYSA-N 0 1 285.391 3.839 20 0 CHADMN CCc1ccc([C@H](CO)N[C@@H](C)c2cccc(F)c2)cc1 ZINC000090844625 1119550489 /nfs/dbraw/zinc/55/04/89/1119550489.db2.gz CILHTIVKDGHUBJ-UGSOOPFHSA-N 0 1 287.378 3.772 20 0 CHADMN CCCOc1ncccc1CN[C@@H](c1cccnc1)C(C)C ZINC000091308155 1119554912 /nfs/dbraw/zinc/55/49/12/1119554912.db2.gz MOAFEGAVFGHKPT-QGZVFWFLSA-N 0 1 299.418 3.752 20 0 CHADMN Cc1cc(CN(C)c2cc(C)nc3ccc(F)cc32)no1 ZINC000091429117 1119556154 /nfs/dbraw/zinc/55/61/54/1119556154.db2.gz BLTSEUKSCQZQQK-UHFFFAOYSA-N 0 1 285.322 3.615 20 0 CHADMN Cc1cnccc1CNC1(c2ccc(F)cc2F)CCC1 ZINC000584450556 1119558424 /nfs/dbraw/zinc/55/84/24/1119558424.db2.gz YHPULRNWOJNBDN-UHFFFAOYSA-N 0 1 288.341 3.837 20 0 CHADMN CC(C)CO[C@@H]1CCN(Cc2cnc(C3CCC3)s2)C1 ZINC000091964707 1119560128 /nfs/dbraw/zinc/56/01/28/1119560128.db2.gz QZLOYSOWOZGCDV-CQSZACIVSA-N 0 1 294.464 3.658 20 0 CHADMN Cc1ocnc1CNc1cc(C)nc2ccc(F)cc21 ZINC000092689682 1119564602 /nfs/dbraw/zinc/56/46/02/1119564602.db2.gz YTPMOBRIERSJKD-UHFFFAOYSA-N 0 1 271.295 3.591 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(F)cn2)cc1F ZINC000092720933 1119564924 /nfs/dbraw/zinc/56/49/24/1119564924.db2.gz MDFPWJUENZXDAI-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN C[C@@H](NCc1cccc(F)c1)c1ccc(Cl)nc1 ZINC000179100385 1119565435 /nfs/dbraw/zinc/56/54/35/1119565435.db2.gz BSMDWTBVERPVDM-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN C[C@@H]1CC[C@@H](N(C)Cc2nccn2Cc2ccccc2)C1 ZINC000093337065 1119568639 /nfs/dbraw/zinc/56/86/39/1119568639.db2.gz WVBSSCYMGHLZLZ-NVXWUHKLSA-N 0 1 283.419 3.552 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1ncccc1C ZINC000093158507 1119569678 /nfs/dbraw/zinc/56/96/78/1119569678.db2.gz BCZMXHYVFCPPMQ-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN Cc1ccoc1CN[C@H]1CCCc2ccc(F)cc21 ZINC000093116216 1119570149 /nfs/dbraw/zinc/57/01/49/1119570149.db2.gz VQBPCSQUCJGLFU-HNNXBMFYSA-N 0 1 259.324 3.894 20 0 CHADMN C[C@H]1CCCC[C@@H]1OCCN(Cc1ccncc1)C1CC1 ZINC000093221996 1119570492 /nfs/dbraw/zinc/57/04/92/1119570492.db2.gz RTTZRBJDFSBNKX-YJBOKZPZSA-N 0 1 288.435 3.641 20 0 CHADMN CCc1ccc(C2=CCN(Cc3cc(C)no3)CC2)cc1 ZINC000093263546 1119570833 /nfs/dbraw/zinc/57/08/33/1119570833.db2.gz IESCNAKWEYDNGQ-UHFFFAOYSA-N 0 1 282.387 3.835 20 0 CHADMN c1cc([C@@H]2CN(C[C@H]3C[C@H]3c3ccccc3)CCO2)cs1 ZINC000093768391 1119571653 /nfs/dbraw/zinc/57/16/53/1119571653.db2.gz OACHMUQHNOBPTL-SQNIBIBYSA-N 0 1 299.439 3.925 20 0 CHADMN CC(C)c1ccccc1NC(=O)Cc1n[nH]c2ccccc12 ZINC000138364016 1119578260 /nfs/dbraw/zinc/57/82/60/1119578260.db2.gz AMZBZGROWWWTNA-UHFFFAOYSA-N 0 1 293.370 3.868 20 0 CHADMN COc1ccc(CN2CCC(C)CC2)cc1Cl ZINC000146970660 1119584152 /nfs/dbraw/zinc/58/41/52/1119584152.db2.gz KHHRVQOSNPNTRA-UHFFFAOYSA-N 0 1 253.773 3.581 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1CCC2(CC2)CC1 ZINC000677719178 1119593501 /nfs/dbraw/zinc/59/35/01/1119593501.db2.gz QYHWXMKMBGNREU-NSHDSACASA-N 0 1 289.404 3.735 20 0 CHADMN CC(C)N1CCC[C@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000923774039 1119601344 /nfs/dbraw/zinc/60/13/44/1119601344.db2.gz TUDDQUFXZJYQBJ-ZDUSSCGKSA-N 0 1 291.782 3.935 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000611918839 1119603186 /nfs/dbraw/zinc/60/31/86/1119603186.db2.gz GYZAEUJEVSDQOF-ZDUSSCGKSA-N 0 1 297.402 3.585 20 0 CHADMN COc1ccc(CN(C)Cc2ccccc2OC2CC2)cc1 ZINC000685417301 1119604641 /nfs/dbraw/zinc/60/46/41/1119604641.db2.gz VBVJDIOGBJDPPC-UHFFFAOYSA-N 0 1 297.398 3.868 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccnn1CC1CCC1 ZINC000926588534 1119605293 /nfs/dbraw/zinc/60/52/93/1119605293.db2.gz ZHIJTPYEOZVCSO-BPLDGKMQSA-N 0 1 279.403 3.615 20 0 CHADMN c1cc([C@@H]2CCCC[N@@H+]2C[C@@H]2CCOc3ccccc32)n[nH]1 ZINC000685438117 1119608440 /nfs/dbraw/zinc/60/84/40/1119608440.db2.gz MPRVPBGCCZORHU-YOEHRIQHSA-N 0 1 297.402 3.503 20 0 CHADMN Clc1ccc(CN2CCC[C@H](C[C@H]3CCOC3)C2)o1 ZINC000685465052 1119611587 /nfs/dbraw/zinc/61/15/87/1119611587.db2.gz SXDOIEVXKPBIDA-CHWSQXEVSA-N 0 1 283.799 3.572 20 0 CHADMN C[C@@H](CN[C@@H]1CCCC1(F)F)Cc1ccccc1 ZINC000685473122 1119613482 /nfs/dbraw/zinc/61/34/82/1119613482.db2.gz ORCAJXBVWVTWMT-TZMCWYRMSA-N 0 1 253.336 3.643 20 0 CHADMN Cc1ncc(CN[C@H](c2ccc(F)cc2)C(C)(C)C)o1 ZINC000628210130 1119615894 /nfs/dbraw/zinc/61/58/94/1119615894.db2.gz HXGIZHDWEIJUMV-OAHLLOKOSA-N 0 1 276.355 3.999 20 0 CHADMN CC[C@@H](C(=O)Nc1ccc2nc[nH]c2c1)c1ccc(F)cc1 ZINC000511294615 1119618058 /nfs/dbraw/zinc/61/80/58/1119618058.db2.gz GLEADXKDHJHXLD-CQSZACIVSA-N 0 1 297.333 3.834 20 0 CHADMN Cc1cc(C)cc(CCC(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000511296013 1119618365 /nfs/dbraw/zinc/61/83/65/1119618365.db2.gz MSCSWTOSYBWHEV-UHFFFAOYSA-N 0 1 293.370 3.751 20 0 CHADMN Cc1ccc(OCC[N@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000302878993 1119621408 /nfs/dbraw/zinc/62/14/08/1119621408.db2.gz ZYGKPRNGNJRZCZ-UHFFFAOYSA-N 0 1 291.341 3.784 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cccc(C)n2)cc1 ZINC000051573679 1119622950 /nfs/dbraw/zinc/62/29/50/1119622950.db2.gz MJGIXTFFLNSVRC-CQSZACIVSA-N 0 1 254.377 3.803 20 0 CHADMN FC(F)(F)Cc1ncc(CNCc2ccsc2)s1 ZINC000892402631 1119626640 /nfs/dbraw/zinc/62/66/40/1119626640.db2.gz SGVZKUVGRNFATR-UHFFFAOYSA-N 0 1 292.351 3.599 20 0 CHADMN Cc1cccc(N2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000302908636 1119627825 /nfs/dbraw/zinc/62/78/25/1119627825.db2.gz HAPKTPBGXNYVFJ-UXBLZVDNSA-N 0 1 292.426 3.830 20 0 CHADMN C[C@H](C1CC1)N(Cc1cc(C(C)(C)C)on1)C1CC1 ZINC000685561376 1119630815 /nfs/dbraw/zinc/63/08/15/1119630815.db2.gz FQQBZWNTNLEOKQ-LLVKDONJSA-N 0 1 262.397 3.735 20 0 CHADMN CCCN(Cc1oc(C)nc1C)Cc1ccc(F)cc1 ZINC000685562075 1119630868 /nfs/dbraw/zinc/63/08/68/1119630868.db2.gz YWVGQBOIRDABBF-UHFFFAOYSA-N 0 1 276.355 3.843 20 0 CHADMN COC[C@@H](NCc1csc(C)c1)c1ccccc1 ZINC000294298624 1119631291 /nfs/dbraw/zinc/63/12/91/1119631291.db2.gz UVQWSFHVKFCEOR-OAHLLOKOSA-N 0 1 261.390 3.534 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@H]2CC(=O)c2ccccc2)o1 ZINC000685568616 1119632796 /nfs/dbraw/zinc/63/27/96/1119632796.db2.gz DWAWZEWWNGQCEY-INIZCTEOSA-N 0 1 298.386 3.529 20 0 CHADMN CCCC[C@H](C)N(C)Cc1csc(-c2cnn(C)c2)n1 ZINC000685612239 1119637959 /nfs/dbraw/zinc/63/79/59/1119637959.db2.gz SGTMDACOCLBOJR-LBPRGKRZSA-N 0 1 292.452 3.554 20 0 CHADMN Cc1c[nH]nc1CNCc1ccc(Oc2ccccc2)cc1 ZINC000685614462 1119638282 /nfs/dbraw/zinc/63/82/82/1119638282.db2.gz WGSSXXCXMXDSNN-UHFFFAOYSA-N 0 1 293.370 3.800 20 0 CHADMN Fc1ccc2c(c1)[C@H](N1CC3(C1)CC(F)(F)C3)CCC2 ZINC000677735608 1119643967 /nfs/dbraw/zinc/64/39/67/1119643967.db2.gz FCVAJVITCSXVRD-CQSZACIVSA-N 0 1 281.321 3.934 20 0 CHADMN CC[C@H](NCc1n[nH]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000182682162 1119646595 /nfs/dbraw/zinc/64/65/95/1119646595.db2.gz ACQDGGGKJUFYTJ-ZDUSSCGKSA-N 0 1 290.798 3.576 20 0 CHADMN CC[C@H](NCc1ccc2sccc2c1)c1ccn(C)n1 ZINC000685657157 1119647277 /nfs/dbraw/zinc/64/72/77/1119647277.db2.gz MRLXAJYJGKMMBC-AWEZNQCLSA-N 0 1 285.416 3.876 20 0 CHADMN CC(C)(C)Oc1ccc(CN[C@@H]2CCCn3nccc32)cc1 ZINC000657943017 1119649315 /nfs/dbraw/zinc/64/93/15/1119649315.db2.gz MHXMATGCKULFTH-MRXNPFEDSA-N 0 1 299.418 3.685 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1cc2cnccc2o1 ZINC000657968542 1119656457 /nfs/dbraw/zinc/65/64/57/1119656457.db2.gz BIHQBSJMZNKFOO-WDEREUQCSA-N 0 1 285.322 3.774 20 0 CHADMN C[C@H](NC1CCC(C2CCC2)CC1)c1csnn1 ZINC000658034875 1119669629 /nfs/dbraw/zinc/66/96/29/1119669629.db2.gz LXUYXKREYHNCFF-PKSQDBQZSA-N 0 1 265.426 3.548 20 0 CHADMN COc1cccc(OC)c1CN[C@@H]1c2ccccc2C[C@@H]1C ZINC000658118456 1119687689 /nfs/dbraw/zinc/68/76/89/1119687689.db2.gz FZGSPFVXEZZLLI-DJJJIMSYSA-N 0 1 297.398 3.727 20 0 CHADMN COc1cccc(OC)c1CN[C@@H](C)c1ccc(C)s1 ZINC000658120989 1119687977 /nfs/dbraw/zinc/68/79/77/1119687977.db2.gz MMJKCKNFWOLGHC-LBPRGKRZSA-N 0 1 291.416 3.925 20 0 CHADMN CCC[C@H](NC/C=C\CO)c1ccc(Cl)cc1Cl ZINC000658140430 1119692114 /nfs/dbraw/zinc/69/21/14/1119692114.db2.gz RTXVANHTJGPOTH-NQHOJNORSA-N 0 1 288.218 3.973 20 0 CHADMN CC(C)(O)[C@H]1CCCN1Cc1csc(C(F)(F)F)c1 ZINC000628237861 1119693919 /nfs/dbraw/zinc/69/39/19/1119693919.db2.gz BKFIAFHOOYKCLZ-SNVBAGLBSA-N 0 1 293.354 3.502 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000300290156 1119693939 /nfs/dbraw/zinc/69/39/39/1119693939.db2.gz XPSITJLVAOVHPH-NVXWUHKLSA-N 0 1 275.392 3.570 20 0 CHADMN C[C@@H](NCCO[C@@H]1CC1(F)F)c1ccc(F)cc1Cl ZINC000658168565 1119695920 /nfs/dbraw/zinc/69/59/20/1119695920.db2.gz YXPSPQZNXGAHCL-PRHODGIISA-N 0 1 293.716 3.554 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1cnn(C)c1)c1ccccc1F ZINC000658167240 1119695436 /nfs/dbraw/zinc/69/54/36/1119695436.db2.gz NYRUCVPOVJTBPU-MLGOLLRUSA-N 0 1 275.371 3.607 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@H](c1ccccc1F)C(C)C ZINC000658169116 1119696065 /nfs/dbraw/zinc/69/60/65/1119696065.db2.gz ZMAOPDQPCGQSLY-DYVFJYSZSA-N 0 1 287.382 3.972 20 0 CHADMN CC(C)[C@H](N[C@H]1CCCn2nccc21)c1ccccc1F ZINC000658168334 1119696089 /nfs/dbraw/zinc/69/60/89/1119696089.db2.gz SOAFTHWIHHBJOP-RDJZCZTQSA-N 0 1 287.382 3.844 20 0 CHADMN Cc1ccc2oc(CN[C@@H]3CCCn4nccc43)cc2c1 ZINC000658199248 1119700560 /nfs/dbraw/zinc/70/05/60/1119700560.db2.gz RYMAQAFCTUBBLU-OAHLLOKOSA-N 0 1 281.359 3.562 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1cc(COC)cs1 ZINC000658209935 1119702676 /nfs/dbraw/zinc/70/26/76/1119702676.db2.gz LAFVQULXEKJINU-GFCCVEGCSA-N 0 1 290.432 3.703 20 0 CHADMN Fc1ccc([C@H](NCCCC2CCC2)c2cnccn2)cc1 ZINC000658221830 1119704602 /nfs/dbraw/zinc/70/46/02/1119704602.db2.gz MEWQPRBOGAECEF-SFHVURJKSA-N 0 1 299.393 3.875 20 0 CHADMN Fc1cccc(Cl)c1CNc1ccc2c[nH]nc2c1 ZINC000023283028 1119707001 /nfs/dbraw/zinc/70/70/01/1119707001.db2.gz QMRAPJHUCDWJEC-UHFFFAOYSA-N 0 1 275.714 3.968 20 0 CHADMN Cc1cc([C@H](C)NCc2c(C3CC3)cnn2C)c(C)s1 ZINC000658214903 1119708089 /nfs/dbraw/zinc/70/80/89/1119708089.db2.gz CXDBJCYSNASBNR-NSHDSACASA-N 0 1 289.448 3.827 20 0 CHADMN COc1cccc2c1CN([C@H](C)Cc1ccsc1)C2 ZINC000628462447 1128863883 /nfs/dbraw/zinc/86/38/83/1128863883.db2.gz USAWFQWBZMSQDT-GFCCVEGCSA-N 0 1 273.401 3.704 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H]2CCc3ccc(O)cc32)o1 ZINC000658234519 1119712121 /nfs/dbraw/zinc/71/21/21/1119712121.db2.gz AQFYQTCVJDUJIH-MEDUHNTESA-N 0 1 271.360 3.886 20 0 CHADMN Cc1cc([C@H](C)NCc2c(C3CCC3)cnn2C)cs1 ZINC000658268116 1119713857 /nfs/dbraw/zinc/71/38/57/1119713857.db2.gz YUQCWSZEORIERZ-LBPRGKRZSA-N 0 1 289.448 3.908 20 0 CHADMN Cc1noc([C@H](N[C@@H](C)CCc2ccccc2)C(C)C)n1 ZINC000168046436 1119714105 /nfs/dbraw/zinc/71/41/05/1119714105.db2.gz BTGVBQNXVCVHEQ-XJKSGUPXSA-N 0 1 287.407 3.686 20 0 CHADMN CC(C)[C@@H](O)[C@@H](N[C@@H](C)c1cncs1)c1ccccc1 ZINC000658286831 1119718037 /nfs/dbraw/zinc/71/80/37/1119718037.db2.gz BXBMFCJJVQWRBJ-VBNZEHGJSA-N 0 1 290.432 3.552 20 0 CHADMN CC(C)[C@H](O)[C@@H](N[C@@H](C)c1cccc(O)c1)c1ccccc1 ZINC000658286751 1119718182 /nfs/dbraw/zinc/71/81/82/1119718182.db2.gz BPQNGIOFJXZMIO-JVPBZIDWSA-N 0 1 299.414 3.801 20 0 CHADMN C[C@@H](N[C@@]1(C)CC1(C)C)c1ncc(Br)s1 ZINC000658309698 1119721674 /nfs/dbraw/zinc/72/16/74/1119721674.db2.gz YAMJDIBYARMMTD-HQJQHLMTSA-N 0 1 289.242 3.745 20 0 CHADMN Cc1cc(C)c([C@@H](C)N[C@H](C)c2nccn2C)cc1C ZINC000658335398 1119726509 /nfs/dbraw/zinc/72/65/09/1119726509.db2.gz VWTQTAKXYSMUMH-HUUCEWRRSA-N 0 1 271.408 3.757 20 0 CHADMN CC(C)C[C@H](N[C@@H](C)c1nccn1C)c1ccc(F)cc1 ZINC000658339410 1119728072 /nfs/dbraw/zinc/72/80/72/1119728072.db2.gz RMBKAWPJRZTRLI-BBRMVZONSA-N 0 1 289.398 3.997 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1cccc(OC)c1C ZINC000658353150 1119729662 /nfs/dbraw/zinc/72/96/62/1119729662.db2.gz KSGKCWHKZKTQEN-AWEZNQCLSA-N 0 1 284.403 3.812 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cnn(C(C)C)c2)c1C ZINC000658354316 1119730412 /nfs/dbraw/zinc/73/04/12/1119730412.db2.gz VAZHLCXUDCUYRC-AWEZNQCLSA-N 0 1 287.407 3.632 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CC(Cc2cccs2)C1 ZINC000628479462 1128865122 /nfs/dbraw/zinc/86/51/22/1128865122.db2.gz OPSNDFDNDKAENA-UHFFFAOYSA-N 0 1 289.448 3.508 20 0 CHADMN C[C@H](O)[C@@H](N[C@@H](C)c1ccsc1)c1ccccc1 ZINC000658361225 1119731346 /nfs/dbraw/zinc/73/13/46/1119731346.db2.gz LDQDQEGSUWDRMU-SLEUVZQESA-N 0 1 261.390 3.521 20 0 CHADMN C[C@@H](O)[C@H](N[C@@H](C)c1cc(F)cc(F)c1)c1ccccc1 ZINC000658364078 1119732077 /nfs/dbraw/zinc/73/20/77/1119732077.db2.gz ZICMDLLQOXMTPB-JKDFXYPNSA-N 0 1 291.341 3.738 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](c2ccccc2)[C@H](C)O)o1 ZINC000658363493 1119732353 /nfs/dbraw/zinc/73/23/53/1119732353.db2.gz WARAQYNEVHHEMH-DCGLDWPTSA-N 0 1 273.376 3.615 20 0 CHADMN COc1ccccc1CNCc1cc(C)nc2c1CCCC2 ZINC000892440749 1119738578 /nfs/dbraw/zinc/73/85/78/1119738578.db2.gz HCHOTIWOHBCXCK-UHFFFAOYSA-N 0 1 296.414 3.567 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(Cl)c2)sn1 ZINC000404425484 1119753760 /nfs/dbraw/zinc/75/37/60/1119753760.db2.gz YPLSAULPTUWKDS-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1nc(C)c(CNCc2c(C)cc(C)cc2C)o1 ZINC000311726968 1119754579 /nfs/dbraw/zinc/75/45/79/1119754579.db2.gz BYKGJZKSXSMSSG-UHFFFAOYSA-N 0 1 258.365 3.507 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2c3ccccc3CC[C@H]2C)o1 ZINC000628231368 1119755704 /nfs/dbraw/zinc/75/57/04/1119755704.db2.gz MHCCKSTYGDEGIV-DIFFPNOSSA-N 0 1 270.376 3.705 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H]1C[C@@H](C)c2ccccc21 ZINC000343811168 1119756610 /nfs/dbraw/zinc/75/66/10/1119756610.db2.gz AKHXVNSCSNAJOW-IIYDPXPESA-N 0 1 282.387 3.989 20 0 CHADMN CCOc1ccccc1[C@@H](CC)NC/C=C/Cl ZINC000179752807 1119758734 /nfs/dbraw/zinc/75/87/34/1119758734.db2.gz YJZMBAWJOITULI-UTSBKAFOSA-N 0 1 253.773 3.879 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1Cc1cnc(C2CC2)o1 ZINC000628240102 1119759424 /nfs/dbraw/zinc/75/94/24/1119759424.db2.gz QKJFLKRRXHLZEU-MRXNPFEDSA-N 0 1 282.387 3.889 20 0 CHADMN CC[C@@H]1C[N@@H+](C[C@@H](OC)c2ccc(Cl)cc2)CCS1 ZINC000548918794 1119776352 /nfs/dbraw/zinc/77/63/52/1119776352.db2.gz AAFYPWRZNITYIP-HUUCEWRRSA-N 0 1 299.867 3.855 20 0 CHADMN C[C@H](CO)[C@H](C)NCc1c(Cl)ccc(Cl)c1Cl ZINC000134976729 1128872321 /nfs/dbraw/zinc/87/23/21/1128872321.db2.gz DZADIGCXKKVZTC-SFYZADRCSA-N 0 1 296.625 3.753 20 0 CHADMN CCOc1ccc(CN[C@H](c2cccs2)C2CC2)o1 ZINC000892488814 1119777884 /nfs/dbraw/zinc/77/78/84/1119777884.db2.gz XGNSFPABAMNBNK-HNNXBMFYSA-N 0 1 277.389 3.981 20 0 CHADMN Cc1nc2cc(NCc3c[nH]nc3C(C)(C)C)ccc2n1C ZINC000151977671 1119782032 /nfs/dbraw/zinc/78/20/32/1119782032.db2.gz KVOADUXDASOPSU-UHFFFAOYSA-N 0 1 297.406 3.514 20 0 CHADMN C/C=C/C[C@H]1CCCN(CC(=O)Nc2ccccc2C)C1 ZINC000626160678 1119791510 /nfs/dbraw/zinc/79/15/10/1119791510.db2.gz NGAVXYFNDZARGX-CWDCEQMOSA-N 0 1 286.419 3.612 20 0 CHADMN Cc1nc(CN[C@@H]2CCc3ccc(C)cc32)sc1C ZINC000153926265 1119814610 /nfs/dbraw/zinc/81/46/10/1119814610.db2.gz JPUFSLMEJYLVMI-OAHLLOKOSA-N 0 1 272.417 3.845 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1cc(Br)ccn1 ZINC001140765559 1119840451 /nfs/dbraw/zinc/84/04/51/1119840451.db2.gz FKRDDDAOGHACNX-CQSZACIVSA-N 0 1 297.240 3.999 20 0 CHADMN Cc1noc(C)c1CN(C)[C@H]1CCc2ccc(F)cc21 ZINC000177684287 1119842726 /nfs/dbraw/zinc/84/27/26/1119842726.db2.gz QDHPEFCJZVLRSK-INIZCTEOSA-N 0 1 274.339 3.550 20 0 CHADMN Cc1ccc(-c2noc([C@H]3CCN3C3CCCC3)n2)cc1 ZINC000923764110 1119843681 /nfs/dbraw/zinc/84/36/81/1119843681.db2.gz FHJWKMAEGUQCDF-OAHLLOKOSA-N 0 1 283.375 3.734 20 0 CHADMN Cc1cnc(CNC(C)(C)COCc2ccccc2)s1 ZINC000281426773 1119853389 /nfs/dbraw/zinc/85/33/89/1119853389.db2.gz OZMVGPUOOHNYGI-UHFFFAOYSA-N 0 1 290.432 3.537 20 0 CHADMN COc1ccc([C@H](C)NCc2ccccc2F)c(C)c1 ZINC000414050711 1119866773 /nfs/dbraw/zinc/86/67/73/1119866773.db2.gz IFIUGSYADQDPAH-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN FC(F)(F)c1cscc1CN1C2CCC1CC2 ZINC000570704801 1119875124 /nfs/dbraw/zinc/87/51/24/1119875124.db2.gz VVHFYRSUUUGFAQ-UHFFFAOYSA-N 0 1 261.312 3.894 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccccn2)c(C)c1 ZINC000414061142 1119875019 /nfs/dbraw/zinc/87/50/19/1119875019.db2.gz YPWQUAQSCYZVAT-KGLIPLIRSA-N 0 1 270.376 3.810 20 0 CHADMN Cc1ccc([C@H](NCc2nccn2C2CC2)C2CC2)cc1 ZINC000892527166 1119875664 /nfs/dbraw/zinc/87/56/64/1119875664.db2.gz KWNFXCKJSDGTRD-SFHVURJKSA-N 0 1 281.403 3.767 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cc2n(n1)CCC2)c1ccc(OC)cc1 ZINC000414065405 1119877361 /nfs/dbraw/zinc/87/73/61/1119877361.db2.gz ONEKNHLTXOLUSE-SUMWQHHRSA-N 0 1 299.418 3.640 20 0 CHADMN C[C@@H](N[C@@H]1CC[C@@H](C)c2ccccc21)c1ccn(C)n1 ZINC000414110534 1119902956 /nfs/dbraw/zinc/90/29/56/1119902956.db2.gz WGLKSQCGRBZXSH-PBFPGSCMSA-N 0 1 269.392 3.709 20 0 CHADMN C[C@H](C[C@H](C)O)N[C@H](C)c1csc(-c2ccccc2)n1 ZINC000414114884 1119903577 /nfs/dbraw/zinc/90/35/77/1119903577.db2.gz UJCSHKBJMXELGT-FRRDWIJNSA-N 0 1 290.432 3.620 20 0 CHADMN CCC(CC)(CNc1cc[nH+]c2c([O-])cccc12)OC ZINC000644155425 1119908430 /nfs/dbraw/zinc/90/84/30/1119908430.db2.gz ZDRJNBKJQDDVBK-UHFFFAOYSA-N 0 1 274.364 3.558 20 0 CHADMN CO[C@@H](C)[C@H](C)N[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414127978 1119909727 /nfs/dbraw/zinc/90/97/27/1119909727.db2.gz GGRWSVFAFUTUOO-AVGNSLFASA-N 0 1 290.432 3.884 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000414142506 1119915868 /nfs/dbraw/zinc/91/58/68/1119915868.db2.gz HXYFJCGOJHYQCW-MELADBBJSA-N 0 1 293.455 3.536 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)cn1)c1ccsc1 ZINC000134019538 1119917942 /nfs/dbraw/zinc/91/79/42/1119917942.db2.gz WCIDBWMFLYMIAP-ZJUUUORDSA-N 0 1 250.342 3.694 20 0 CHADMN C[C@H](NCc1ccc(O)cc1)c1cccc(F)c1F ZINC000224983132 1119918874 /nfs/dbraw/zinc/91/88/74/1119918874.db2.gz QVHGEMMSGFAAJL-JTQLQIEISA-N 0 1 263.287 3.521 20 0 CHADMN CC(C)[C@@H]1C[C@H](N[C@@H](C)c2ccn(C)n2)c2ccccc21 ZINC000414170164 1119925408 /nfs/dbraw/zinc/92/54/08/1119925408.db2.gz BURFZWHPPRDONE-OWQGQXMQSA-N 0 1 283.419 3.955 20 0 CHADMN Cc1ccc(CN(CCOc2ccc(F)cc2)C2CC2)o1 ZINC000613442939 1119925688 /nfs/dbraw/zinc/92/56/88/1119925688.db2.gz DRGBLCUGXZDAFD-UHFFFAOYSA-N 0 1 289.350 3.771 20 0 CHADMN CC[C@H](CCc1ccccc1)N[C@H](C)c1ncco1 ZINC000926749892 1119935681 /nfs/dbraw/zinc/93/56/81/1119935681.db2.gz DGCIAIXLOOIJGV-UKRRQHHQSA-N 0 1 258.365 3.737 20 0 CHADMN Cc1c([C@H](C)NCc2ccoc2)cnn1-c1ccc(F)cc1 ZINC000171132631 1119937341 /nfs/dbraw/zinc/93/73/41/1119937341.db2.gz KXGQADUFFDMQGB-LBPRGKRZSA-N 0 1 299.349 3.764 20 0 CHADMN Cc1ccc(CN[C@H]2CCn3ccnc32)c2ccccc12 ZINC000414215849 1119943598 /nfs/dbraw/zinc/94/35/98/1119943598.db2.gz YMDNNVCGTQCBAH-KRWDZBQOSA-N 0 1 277.371 3.579 20 0 CHADMN Cc1ccnc([C@@H](C)NCc2cnccc2C(C)(C)C)c1 ZINC000414228524 1119947307 /nfs/dbraw/zinc/94/73/07/1119947307.db2.gz MDCJTODFXKGTRN-CQSZACIVSA-N 0 1 283.419 3.933 20 0 CHADMN C[C@@H](N[C@H](c1ccccn1)C1CCC1)c1ccns1 ZINC000926753352 1119947962 /nfs/dbraw/zinc/94/79/62/1119947962.db2.gz SHODURXRAKCCGQ-ABAIWWIYSA-N 0 1 273.405 3.730 20 0 CHADMN CCCC[C@@H](C)[C@@H](C)NCc1nccc(C(F)(F)F)n1 ZINC000414232353 1119950136 /nfs/dbraw/zinc/95/01/36/1119950136.db2.gz CWCVLAARUPZJRU-GHMZBOCLSA-N 0 1 289.345 3.800 20 0 CHADMN CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)nc1 ZINC000083596016 1119961965 /nfs/dbraw/zinc/96/19/65/1119961965.db2.gz ZZBNEFSFAWSQRI-GOSISDBHSA-N 0 1 282.387 3.817 20 0 CHADMN COC1([C@H](C)N[C@H](C)c2csc(C(C)C)n2)CCC1 ZINC000414292206 1119970438 /nfs/dbraw/zinc/97/04/38/1119970438.db2.gz AKNVTEQYFRGVMR-NEPJUHHUSA-N 0 1 282.453 3.875 20 0 CHADMN COC1([C@@H](C)N[C@H](C)c2csc(C(C)C)n2)CCC1 ZINC000414292214 1119970641 /nfs/dbraw/zinc/97/06/41/1119970641.db2.gz AKNVTEQYFRGVMR-VXGBXAGGSA-N 0 1 282.453 3.875 20 0 CHADMN Cc1occc1CN[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000414306251 1119974308 /nfs/dbraw/zinc/97/43/08/1119974308.db2.gz QXETVUYPYLDDQP-SJORKVTESA-N 0 1 271.360 3.598 20 0 CHADMN Cc1nc2c(Cl)cccc2c(NC[C@@H](C)CO)c1C ZINC000685905037 1119975661 /nfs/dbraw/zinc/97/56/61/1119975661.db2.gz STGBTTYSYZUBHX-SECBINFHSA-N 0 1 278.783 3.545 20 0 CHADMN CCCOc1ccc(CNCc2ccc(OCC)o2)cc1 ZINC000892609216 1119978430 /nfs/dbraw/zinc/97/84/30/1119978430.db2.gz YHEMLRPGSZSQJA-UHFFFAOYSA-N 0 1 289.375 3.757 20 0 CHADMN Cc1ccc(CN[C@@H](CC(C)C)c2cccs2)nn1 ZINC000414313778 1119978627 /nfs/dbraw/zinc/97/86/27/1119978627.db2.gz KQBOMDJDROPASA-AWEZNQCLSA-N 0 1 275.421 3.724 20 0 CHADMN Cc1ccc(CCN[C@@H](C)c2csc(C(C)C)n2)cn1 ZINC000186332979 1119984858 /nfs/dbraw/zinc/98/48/58/1119984858.db2.gz IJRQWCDZGQTFBT-ZDUSSCGKSA-N 0 1 289.448 3.863 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2cc(C)cc(C)c2)cn1 ZINC000414339972 1119991209 /nfs/dbraw/zinc/99/12/09/1119991209.db2.gz MWSPTKNLGSDDJF-AWEZNQCLSA-N 0 1 269.392 3.507 20 0 CHADMN Cc1ccc(CN([C@@H](C)c2ccccc2)C2CC2)nn1 ZINC000414371264 1120002662 /nfs/dbraw/zinc/00/26/62/1120002662.db2.gz MSXNVPGQIZWWHQ-AWEZNQCLSA-N 0 1 267.376 3.511 20 0 CHADMN CCc1ncc(CN(C)[C@H](C)c2ccc(C)cc2C)cn1 ZINC000414373816 1120004001 /nfs/dbraw/zinc/00/40/01/1120004001.db2.gz UDSZKAZKDLCWAO-OAHLLOKOSA-N 0 1 283.419 3.849 20 0 CHADMN Cc1nnc(CNCC(C)(C)c2ccc(Cl)cc2)s1 ZINC000892653696 1120013856 /nfs/dbraw/zinc/01/38/56/1120013856.db2.gz LJHYUVZJYTZJBN-UHFFFAOYSA-N 0 1 295.839 3.567 20 0 CHADMN CCc1ncc(CN2C[C@@H](C)C[C@@H]2c2cccc(F)c2)cn1 ZINC000414392899 1120016476 /nfs/dbraw/zinc/01/64/76/1120016476.db2.gz HBRHGQFCMBQBQY-SUMWQHHRSA-N 0 1 299.393 3.761 20 0 CHADMN Cc1occc1CNC1(c2ccc(F)cc2)CCOCC1 ZINC000414401420 1120022912 /nfs/dbraw/zinc/02/29/12/1120022912.db2.gz ZBQJTGRKLKGONM-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN CCCCN1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000376524867 1120028570 /nfs/dbraw/zinc/02/85/70/1120028570.db2.gz AMVKQKJRSXKZAN-SNVBAGLBSA-N 0 1 291.317 3.502 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc3cc(Cl)ccc3o2)[nH]n1 ZINC000605592290 1120035103 /nfs/dbraw/zinc/03/51/03/1120035103.db2.gz KSBNRCSFJJEXOI-JTQLQIEISA-N 0 1 289.766 3.969 20 0 CHADMN Cc1ccccc1-c1noc(CN([C@@H](C)C2CC2)C2CC2)n1 ZINC000047909045 1120040653 /nfs/dbraw/zinc/04/06/53/1120040653.db2.gz VLRGLLAWXKYEKX-ZDUSSCGKSA-N 0 1 297.402 3.808 20 0 CHADMN C[C@@H]1CCCC[C@H]1N(C)Cc1csc(Cl)n1 ZINC000309452451 1120044350 /nfs/dbraw/zinc/04/43/50/1120044350.db2.gz RFVDVYIHHVZLGB-MWLCHTKSSA-N 0 1 258.818 3.807 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000584517177 1120044495 /nfs/dbraw/zinc/04/44/95/1120044495.db2.gz PYYWIJKKCJECRJ-LBPRGKRZSA-N 0 1 289.400 3.588 20 0 CHADMN C[C@H](NCCOCC1CCC1)c1nc2ccccc2s1 ZINC000765812731 1120051162 /nfs/dbraw/zinc/05/11/62/1120051162.db2.gz XSLWLWRZLRTCJA-LBPRGKRZSA-N 0 1 290.432 3.764 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc(OC(F)F)cc3)c2c1 ZINC000094660749 1120053717 /nfs/dbraw/zinc/05/37/17/1120053717.db2.gz FKKHZWXORIMYRC-UHFFFAOYSA-N 0 1 289.285 3.518 20 0 CHADMN Fc1ccc(C2(NCc3ccnn3C3CCC3)CCC2)cc1 ZINC000921652267 1120054728 /nfs/dbraw/zinc/05/47/28/1120054728.db2.gz GUCICUFWDIRHCQ-UHFFFAOYSA-N 0 1 299.393 3.916 20 0 CHADMN CCn1cncc1CN[C@@H](C)c1ccccc1OC(C)C ZINC000090171579 1120059522 /nfs/dbraw/zinc/05/95/22/1120059522.db2.gz GOVRVKWKZGOUOZ-AWEZNQCLSA-N 0 1 287.407 3.541 20 0 CHADMN CC(=O)c1ccc(-c2ccc3nc(C)[nH]c3c2)cc1 ZINC001239629550 1120060585 /nfs/dbraw/zinc/06/05/85/1120060585.db2.gz HVVBKKJZVXKVIR-UHFFFAOYSA-N 0 1 250.301 3.741 20 0 CHADMN CCC[C@H](C[N@H+]1CCCc2n[nH]cc2C1)c1ccccc1 ZINC000668840803 1120063141 /nfs/dbraw/zinc/06/31/41/1120063141.db2.gz JEKJBEZITWBJQM-MRXNPFEDSA-N 0 1 283.419 3.742 20 0 CHADMN CCOc1ccc(CN[C@H]2CCc3c2cccc3F)o1 ZINC000892681150 1120063380 /nfs/dbraw/zinc/06/33/80/1120063380.db2.gz WGFIPRPICKMLEA-HNNXBMFYSA-N 0 1 275.323 3.595 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H](CCc2ccccc2)C(F)F)C[C@H](C)O1 ZINC000623658328 1120066505 /nfs/dbraw/zinc/06/65/05/1120066505.db2.gz RHUSMEXSINGILC-OCVGTWLNSA-N 0 1 297.389 3.799 20 0 CHADMN Fc1ccc(C2(NC/C=C\Cl)CCC2)c(F)c1 ZINC000588382652 1120067111 /nfs/dbraw/zinc/06/71/11/1120067111.db2.gz YUTOBXXWRLSZOH-UQCOIBPSSA-N 0 1 257.711 3.686 20 0 CHADMN CC(C)(C)c1noc(C[N@@H+](C2CC2)C2CCCCC2)n1 ZINC000061163048 1120079485 /nfs/dbraw/zinc/07/94/85/1120079485.db2.gz KEVAXQDHNXBYHL-UHFFFAOYSA-N 0 1 277.412 3.664 20 0 CHADMN CC(C)(C)c1noc(CN(C2CC2)C2CCCCC2)n1 ZINC000061163048 1120079489 /nfs/dbraw/zinc/07/94/89/1120079489.db2.gz KEVAXQDHNXBYHL-UHFFFAOYSA-N 0 1 277.412 3.664 20 0 CHADMN CC1(C)CCC(C[N@H+]2CCCCC[C@H]2C(=O)[O-])CC1 ZINC000311448664 1120082838 /nfs/dbraw/zinc/08/28/38/1120082838.db2.gz IPEFCQXEMGCGSG-AWEZNQCLSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@@H](NCc1ccc(F)c(C)c1)c1cccc(OC)n1 ZINC000924593317 1120085213 /nfs/dbraw/zinc/08/52/13/1120085213.db2.gz IEMFMSAYHXHLET-OAHLLOKOSA-N 0 1 288.366 3.779 20 0 CHADMN COc1cc(CNCc2cc(O)cc(Cl)c2)ccc1C ZINC000892695310 1120088166 /nfs/dbraw/zinc/08/81/66/1120088166.db2.gz AGRTYSORGJOVOR-UHFFFAOYSA-N 0 1 291.778 3.652 20 0 CHADMN COc1cc(F)cc(CN[C@H](C)c2sc(C)nc2C)c1 ZINC000179595547 1120094273 /nfs/dbraw/zinc/09/42/73/1120094273.db2.gz XKAGOFWUBJGGKV-SECBINFHSA-N 0 1 294.395 3.758 20 0 CHADMN COC[C@H](N[C@H](C)c1sc(C)nc1C)c1ccccc1 ZINC000180842053 1120100578 /nfs/dbraw/zinc/10/05/78/1120100578.db2.gz YOWUYXCFTRINRT-DOMZBBRYSA-N 0 1 290.432 3.798 20 0 CHADMN COC[C@@H](N[C@H](C)c1sc(C)nc1C)c1ccccc1 ZINC000180842089 1120100640 /nfs/dbraw/zinc/10/06/40/1120100640.db2.gz YOWUYXCFTRINRT-IUODEOHRSA-N 0 1 290.432 3.798 20 0 CHADMN Cc1nccc(N2CC[C@H](c3ccc(O)cc3)C2)c1Cl ZINC000624723065 1120103023 /nfs/dbraw/zinc/10/30/23/1120103023.db2.gz FAFACIAEGRZVJY-ZDUSSCGKSA-N 0 1 288.778 3.743 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H]2CCC3(CCCC3)O2)c(C)s1 ZINC000655851807 1120105149 /nfs/dbraw/zinc/10/51/49/1120105149.db2.gz HJUJFTVQHFGUIW-RISCZKNCSA-N 0 1 294.464 3.902 20 0 CHADMN CCc1nc(CN[C@@H](C)c2ccc(Cl)cc2Cl)n[nH]1 ZINC000181746836 1120107293 /nfs/dbraw/zinc/10/72/93/1120107293.db2.gz PKEGPXYNDMCMNA-QMMMGPOBSA-N 0 1 299.205 3.525 20 0 CHADMN CC[C@@H](C)O[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001204629362 1120109212 /nfs/dbraw/zinc/10/92/12/1120109212.db2.gz KETLSIDHURCPEQ-UKRRQHHQSA-N 0 1 265.372 3.605 20 0 CHADMN C[C@@H](c1ccccc1)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000605594905 1120109333 /nfs/dbraw/zinc/10/93/33/1120109333.db2.gz VWECTBYWVRXULV-GXTWGEPZSA-N 0 1 287.325 3.791 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC1=CCCC1 ZINC000659793436 1120110879 /nfs/dbraw/zinc/11/08/79/1120110879.db2.gz YGVVDZHZXDHACZ-MRXNPFEDSA-N 0 1 273.376 3.635 20 0 CHADMN CCCCC[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000659803120 1120113247 /nfs/dbraw/zinc/11/32/47/1120113247.db2.gz COVSNEPKSNKHOZ-INIZCTEOSA-N 0 1 290.407 3.715 20 0 CHADMN CCCCC[C@@H]1CCCC[N@H+]1Cc1nc(C(=O)[O-])cs1 ZINC000659803067 1120113278 /nfs/dbraw/zinc/11/32/78/1120113278.db2.gz AXZSWWDWVVCWEM-GFCCVEGCSA-N 0 1 296.436 3.776 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000659803013 1120113546 /nfs/dbraw/zinc/11/35/46/1120113546.db2.gz CIJLWWYGFGFKOM-AWEZNQCLSA-N 0 1 291.391 3.770 20 0 CHADMN CCCCC[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000659803121 1120113612 /nfs/dbraw/zinc/11/36/12/1120113612.db2.gz COVSNEPKSNKHOZ-MRXNPFEDSA-N 0 1 290.407 3.715 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000659803831 1120114364 /nfs/dbraw/zinc/11/43/64/1120114364.db2.gz OWTMEKFEDSMFMT-ZDUSSCGKSA-N 0 1 277.364 3.523 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccc(F)cc2)nc(C)n1 ZINC000659820897 1120116944 /nfs/dbraw/zinc/11/69/44/1120116944.db2.gz VVKAMDRRAPCXOE-QGZVFWFLSA-N 0 1 285.366 3.570 20 0 CHADMN Cc1cccc(CN[C@H](C)c2ccnn2C2CCC2)c1 ZINC000924597591 1120117948 /nfs/dbraw/zinc/11/79/48/1120117948.db2.gz PNIHRZZZIUYJQK-CQSZACIVSA-N 0 1 269.392 3.767 20 0 CHADMN Fc1cccc(CN2CCC3(CCCCC3)CC2)n1 ZINC000851747858 1120121535 /nfs/dbraw/zinc/12/15/35/1120121535.db2.gz YJQYVKJQUIMZHB-UHFFFAOYSA-N 0 1 262.372 3.767 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2NCc1cccc(F)c1F ZINC000107712246 1120125861 /nfs/dbraw/zinc/12/58/61/1120125861.db2.gz UMKWFBPDBWKVHU-OAHLLOKOSA-N 0 1 277.289 3.881 20 0 CHADMN CCCNc1cc(C)nc(N[C@H]2CCNc3ccccc32)n1 ZINC001168640304 1120127920 /nfs/dbraw/zinc/12/79/20/1120127920.db2.gz YRKGHYAPALRRSD-HNNXBMFYSA-N 0 1 297.406 3.576 20 0 CHADMN CC1(C)CN(CCCOc2cccc3ccccc32)CCO1 ZINC000303019748 1120132700 /nfs/dbraw/zinc/13/27/00/1120132700.db2.gz ZFYHIRZLTLECHI-UHFFFAOYSA-N 0 1 299.414 3.720 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(O)cc(Cl)c2)cc1 ZINC000892743538 1120133876 /nfs/dbraw/zinc/13/38/76/1120133876.db2.gz MWZHIXUWBGOKIN-LLVKDONJSA-N 0 1 291.778 3.905 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2cnn(C)c2C2CC2)c1 ZINC000892759826 1120137820 /nfs/dbraw/zinc/13/78/20/1120137820.db2.gz XPBMASVFVNBFQS-CYBMUJFWSA-N 0 1 299.418 3.547 20 0 CHADMN CCCCc1noc(CN[C@H]2CCC[C@H]2CCCC)n1 ZINC000460345468 1120145337 /nfs/dbraw/zinc/14/53/37/1120145337.db2.gz GWVQVDACSUBBAS-KGLIPLIRSA-N 0 1 279.428 3.861 20 0 CHADMN C[C@H](CNCc1ccon1)c1ccc(C(F)(F)F)cc1 ZINC000685425643 1120149492 /nfs/dbraw/zinc/14/94/92/1120149492.db2.gz AIRJHGQZTNWADM-SNVBAGLBSA-N 0 1 284.281 3.587 20 0 CHADMN CSCCC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000173543702 1120156256 /nfs/dbraw/zinc/15/62/56/1120156256.db2.gz QENRAOXYEMTOIL-JTQLQIEISA-N 0 1 259.365 3.711 20 0 CHADMN CSCCCN(C)[C@@H](C)c1cc(F)ccc1F ZINC000173543702 1120156257 /nfs/dbraw/zinc/15/62/57/1120156257.db2.gz QENRAOXYEMTOIL-JTQLQIEISA-N 0 1 259.365 3.711 20 0 CHADMN CCSc1cccc(CNCc2ccncc2F)c1 ZINC000449333112 1128894897 /nfs/dbraw/zinc/89/48/97/1128894897.db2.gz ACBAYEDVCCFAMB-UHFFFAOYSA-N 0 1 276.380 3.623 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccnn1C1CCC1)CC2 ZINC000921705737 1120160332 /nfs/dbraw/zinc/16/03/32/1120160332.db2.gz WNDRBIPFCYXRRA-QGZVFWFLSA-N 0 1 285.366 3.524 20 0 CHADMN Cc1cc(CN(Cc2ccco2)C2CCCC2)nc(C)n1 ZINC000659844257 1120166574 /nfs/dbraw/zinc/16/65/74/1120166574.db2.gz BRCQZKBTMXKEQZ-UHFFFAOYSA-N 0 1 285.391 3.631 20 0 CHADMN COc1ccc(-c2cccc3nc(C)[nH]c32)c(C)c1 ZINC001239826678 1120169587 /nfs/dbraw/zinc/16/95/87/1120169587.db2.gz FKEVHKSBLXONJP-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN CCN(CCc1ccccc1)Cc1noc2c1CCCC2 ZINC000108854440 1120172980 /nfs/dbraw/zinc/17/29/80/1120172980.db2.gz FPBLZAMRYFFLSO-UHFFFAOYSA-N 0 1 284.403 3.618 20 0 CHADMN CCc1ccc([C@H](C)NCc2cn3ccsc3n2)cc1 ZINC000112259617 1120173664 /nfs/dbraw/zinc/17/36/64/1120173664.db2.gz FLYZCPTWEIOZOQ-LBPRGKRZSA-N 0 1 285.416 3.809 20 0 CHADMN COc1ccc(OC)c([C@H](C)NCc2cc(C)cs2)c1 ZINC000379029198 1120178317 /nfs/dbraw/zinc/17/83/17/1120178317.db2.gz CMODKJUVZKSPIR-LBPRGKRZSA-N 0 1 291.416 3.925 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2cccc(Cl)c2)nc(C)n1 ZINC000659846339 1120178803 /nfs/dbraw/zinc/17/88/03/1120178803.db2.gz GGNODRKRDSCHDK-GFCCVEGCSA-N 0 1 289.810 3.940 20 0 CHADMN CC(C)n1cc([C@@H](C)NCc2ccc3c(c2)C[C@H](C)O3)cn1 ZINC000921734955 1120179029 /nfs/dbraw/zinc/17/90/29/1120179029.db2.gz JFYHXXPMXBIJLK-UONOGXRCSA-N 0 1 299.418 3.638 20 0 CHADMN Cc1ccc(C)c(NC(=O)C[N@@H+]2CCCC[C@H]2C(C)C)c1 ZINC000303726765 1120180638 /nfs/dbraw/zinc/18/06/38/1120180638.db2.gz XUFWUUCPFUSBPX-KRWDZBQOSA-N 0 1 288.435 3.752 20 0 CHADMN c1cn(C2CC2)c(CN[C@@H](CC2CC2)c2ccccc2)n1 ZINC000892961781 1120182036 /nfs/dbraw/zinc/18/20/36/1120182036.db2.gz GIXMCLQJHWWUTO-KRWDZBQOSA-N 0 1 281.403 3.849 20 0 CHADMN Cc1ccccc1[C@H]1C[C@@H](C)N(CC(=O)OC(C)(C)C)C1 ZINC000303786957 1120183974 /nfs/dbraw/zinc/18/39/74/1120183974.db2.gz UGPXLVQLFAYFII-CABCVRRESA-N 0 1 289.419 3.515 20 0 CHADMN CCOC(=O)CCCCSc1nc2ccc(C)cc2[nH]1 ZINC000303840256 1120186061 /nfs/dbraw/zinc/18/60/61/1120186061.db2.gz SLPBCDUMFYWPDE-UHFFFAOYSA-N 0 1 292.404 3.697 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2c2cccc(C)c2)c(C)o1 ZINC000659851739 1120190387 /nfs/dbraw/zinc/19/03/87/1120190387.db2.gz DSMNJWGVLMLLQG-QGZVFWFLSA-N 0 1 270.376 3.937 20 0 CHADMN N#CC(=C(O)C=Cc1ccccc1)c1cnc2ccccc2n1 ZINC000191001326 1128897389 /nfs/dbraw/zinc/89/73/89/1128897389.db2.gz WAAGTQCVTVFLNL-AUECHBEKSA-N 0 1 299.333 3.519 20 0 CHADMN N#CC(C(=O)C=Cc1ccccc1)c1cnc2ccccc2n1 ZINC000191001326 1128897393 /nfs/dbraw/zinc/89/73/93/1128897393.db2.gz WAAGTQCVTVFLNL-AUECHBEKSA-N 0 1 299.333 3.519 20 0 CHADMN CC[C@@H](NCc1cn(CC)nc1C)c1ccc(F)cc1F ZINC000893002962 1120194037 /nfs/dbraw/zinc/19/40/37/1120194037.db2.gz XYTBLLUAYAPCHE-MRXNPFEDSA-N 0 1 293.361 3.731 20 0 CHADMN COc1cc(CN2CCC[C@H]2c2cccc(C)c2)sn1 ZINC000659853546 1120194302 /nfs/dbraw/zinc/19/43/02/1120194302.db2.gz RSYFGOQDMRRYHX-HNNXBMFYSA-N 0 1 288.416 3.797 20 0 CHADMN CC(C)=CCC[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000659853991 1120195295 /nfs/dbraw/zinc/19/52/95/1120195295.db2.gz SJRJOCPQMNNGJB-INIZCTEOSA-N 0 1 263.381 3.617 20 0 CHADMN Cc1cc(C)c(NC(=O)CN(C)CCC2CCC2)c(C)c1 ZINC000659857666 1120197178 /nfs/dbraw/zinc/19/71/78/1120197178.db2.gz MOMBHVLHYWKOQL-UHFFFAOYSA-N 0 1 288.435 3.672 20 0 CHADMN CC(C)(NCc1cnn(CCF)c1)c1cccc(Cl)c1 ZINC000921757723 1120199891 /nfs/dbraw/zinc/19/98/91/1120199891.db2.gz JUXUGGOHEUBGLQ-UHFFFAOYSA-N 0 1 295.789 3.531 20 0 CHADMN COc1cccc(CN[C@H]2CCc3ccccc32)c1F ZINC000165806284 1120201299 /nfs/dbraw/zinc/20/12/99/1120201299.db2.gz KVGMQZVJZWPGDM-HNNXBMFYSA-N 0 1 271.335 3.611 20 0 CHADMN CCCC(CCC)SCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000543864457 1120202581 /nfs/dbraw/zinc/20/25/81/1120202581.db2.gz RTNJCNHARNZAHF-OKILXGFUSA-N 0 1 271.470 3.552 20 0 CHADMN CCCSC[C@H](C)NCc1nc(C(F)(F)F)cs1 ZINC000893029794 1120202883 /nfs/dbraw/zinc/20/28/83/1120202883.db2.gz WEHNTHYOKKMQOP-QMMMGPOBSA-N 0 1 298.399 3.783 20 0 CHADMN C[C@H](O)c1ccc(CNCc2ccc([C@H]3C[C@@H]3C)o2)cc1 ZINC000250671758 1120211565 /nfs/dbraw/zinc/21/15/65/1120211565.db2.gz XUQIMIPOZBFKDN-DCGLDWPTSA-N 0 1 285.387 3.746 20 0 CHADMN C[C@H](N[C@@H](c1ccccn1)C1CC1)c1cc(O)cc(F)c1 ZINC000926895720 1120211628 /nfs/dbraw/zinc/21/16/28/1120211628.db2.gz HLIAHUWBCKSIAC-APPDUMDISA-N 0 1 286.350 3.728 20 0 CHADMN C(CCC1CCCC1)CNCc1nnc(C2CC2)s1 ZINC000893066046 1120212952 /nfs/dbraw/zinc/21/29/52/1120212952.db2.gz FBPMKMXVSUQSBR-UHFFFAOYSA-N 0 1 279.453 3.866 20 0 CHADMN Cc1nc(C)c(CNCc2ccc(CC(C)C)nc2)s1 ZINC000893074390 1120215328 /nfs/dbraw/zinc/21/53/28/1120215328.db2.gz OKMNDWQVDWGIGJ-UHFFFAOYSA-N 0 1 289.448 3.643 20 0 CHADMN Cc1ccccc1CNCc1cscc1Cl ZINC000309839294 1120215353 /nfs/dbraw/zinc/21/53/53/1120215353.db2.gz CHMZZBRPICZITF-UHFFFAOYSA-N 0 1 251.782 4.000 20 0 CHADMN CC[C@@H](C)C[C@@H](C)NCc1nnc(C(C)C)s1 ZINC000893084520 1120218017 /nfs/dbraw/zinc/21/80/17/1120218017.db2.gz BWHYNQOGLNTAIA-GHMZBOCLSA-N 0 1 255.431 3.576 20 0 CHADMN COc1ccc(C)cc1CNCc1csc(C)c1 ZINC000394545415 1120219570 /nfs/dbraw/zinc/21/95/70/1120219570.db2.gz FBWGJZIRGALARG-UHFFFAOYSA-N 0 1 261.390 3.663 20 0 CHADMN CCc1ccc(C[N@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]2C)cc1 ZINC000903951094 1120220717 /nfs/dbraw/zinc/22/07/17/1120220717.db2.gz JGZUXZWVGDRUAN-CFAJVAMVSA-N 0 1 289.419 3.569 20 0 CHADMN CCc1cc(O)ccc1NC(=O)c1ccc(O)c(Cl)c1 ZINC000191040177 1128899937 /nfs/dbraw/zinc/89/99/37/1128899937.db2.gz HXYXBUNSTIYNHI-UHFFFAOYSA-N 0 1 291.734 3.566 20 0 CHADMN C[C@@H]1[C@H](C)N(Cc2cc(Cl)sc2Cl)CCN1C ZINC001168675635 1120228660 /nfs/dbraw/zinc/22/86/60/1120228660.db2.gz DXICZOMGIXBSPF-BDAKNGLRSA-N 0 1 293.263 3.579 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@@H](C)c2ccnc(Cl)c2)cn1 ZINC000765943521 1120236503 /nfs/dbraw/zinc/23/65/03/1120236503.db2.gz DDHROTVFECWIMG-RYUDHWBXSA-N 0 1 292.814 3.924 20 0 CHADMN CCC[C@@H](NCc1ccc(F)nc1C)c1ccccn1 ZINC000785456801 1120241136 /nfs/dbraw/zinc/24/11/36/1120241136.db2.gz XEAQNHJACUEPLW-CQSZACIVSA-N 0 1 273.355 3.555 20 0 CHADMN Cc1cccc(C2=CCN(CCOCC(F)(F)F)CC2)c1 ZINC000179401276 1120246319 /nfs/dbraw/zinc/24/63/19/1120246319.db2.gz NMEXINXKRHBZMY-UHFFFAOYSA-N 0 1 299.336 3.663 20 0 CHADMN C/C(=C/c1ccc(Cl)cc1)c1nc([C@H](N)C(C)C)no1 ZINC000843148966 1120247393 /nfs/dbraw/zinc/24/73/93/1120247393.db2.gz GVPBBKQECDHSMH-CHOZFAJLSA-N 0 1 291.782 3.939 20 0 CHADMN Cc1ccc(CCCCc2nc([C@@H](N)C(C)C)no2)cc1 ZINC000843148744 1120248071 /nfs/dbraw/zinc/24/80/71/1120248071.db2.gz DFSOIJRIJPGZJL-INIZCTEOSA-N 0 1 287.407 3.599 20 0 CHADMN CC(C)n1cc(CN2CCCCC[C@@H]2c2ccncc2)cn1 ZINC000179497443 1120248788 /nfs/dbraw/zinc/24/87/88/1120248788.db2.gz HXVUPNSJABLJRV-GOSISDBHSA-N 0 1 298.434 3.976 20 0 CHADMN Cc1ccccc1-c1noc(CN2[C@H](C)CCC[C@@H]2C)n1 ZINC000075021214 1120251222 /nfs/dbraw/zinc/25/12/22/1120251222.db2.gz XPAFGWNTKJWMTC-OKILXGFUSA-N 0 1 285.391 3.808 20 0 CHADMN C/C(=C/c1ccc(C)cc1)c1nc([C@H](N)C(C)C)no1 ZINC000843149956 1120251821 /nfs/dbraw/zinc/25/18/21/1120251821.db2.gz QWFZPYIAVGMTHS-FWLQQBITSA-N 0 1 271.364 3.594 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H](C)CCc2ccccc2F)n1 ZINC000843149224 1120254194 /nfs/dbraw/zinc/25/41/94/1120254194.db2.gz JZVXCTLCUKGAPG-FZMZJTMJSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@@H](C)Cc2ccccc2Cl)n1 ZINC000843150898 1120254729 /nfs/dbraw/zinc/25/47/29/1120254729.db2.gz WKQUCPZEIJHTFR-GXFFZTMASA-N 0 1 293.798 3.725 20 0 CHADMN CC(C)[C@H](N)c1noc([C@H](C)CSc2ccccc2)n1 ZINC000843150916 1120255872 /nfs/dbraw/zinc/25/58/72/1120255872.db2.gz WMQZRPXPPGMPQL-YPMHNXCESA-N 0 1 291.420 3.621 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1CCCC[C@H](C)C1 ZINC000187987647 1120256005 /nfs/dbraw/zinc/25/60/05/1120256005.db2.gz HJHHVPWUKAXVCZ-RYUDHWBXSA-N 0 1 291.420 3.981 20 0 CHADMN Cc1cccc(C)c1CNCc1c(Cl)n[nH]c1C1CC1 ZINC000921860481 1120256651 /nfs/dbraw/zinc/25/66/51/1120256651.db2.gz HFFPNCLGIZDKTG-UHFFFAOYSA-N 0 1 289.810 3.847 20 0 CHADMN CC(C)(C)c1coc(CNC[C@H]2[C@@H]3c4ccccc4C[C@H]23)n1 ZINC000921864115 1120257634 /nfs/dbraw/zinc/25/76/34/1120257634.db2.gz ZOJWAJPHJQZJHF-IIDMSEBBSA-N 0 1 296.414 3.648 20 0 CHADMN CC[C@H](C)C[C@@H](C)Nc1ccc2cc(C(=O)OC)[nH]c2n1 ZINC001168690914 1120260902 /nfs/dbraw/zinc/26/09/02/1120260902.db2.gz AUQRGWJTXOLPRT-WDEREUQCSA-N 0 1 289.379 3.586 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN(C(C)C)C1CC1 ZINC000063492938 1120266136 /nfs/dbraw/zinc/26/61/36/1120266136.db2.gz IAEJMRZQAQONNL-UHFFFAOYSA-N 0 1 270.376 3.532 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000075769174 1120266417 /nfs/dbraw/zinc/26/64/17/1120266417.db2.gz KFRYXJBQEWEALG-HOCLYGCPSA-N 0 1 297.402 3.810 20 0 CHADMN Cc1ccc2c(c1)C[N@@H+](C1CC(OC(C)(C)C)C1)CCO2 ZINC000450984423 1120267469 /nfs/dbraw/zinc/26/74/69/1120267469.db2.gz WGZYROHEETXLIQ-UHFFFAOYSA-N 0 1 289.419 3.536 20 0 CHADMN Cc1ccc2c(c1)CN(C1CC(OC(C)(C)C)C1)CCO2 ZINC000450984423 1120267472 /nfs/dbraw/zinc/26/74/72/1120267472.db2.gz WGZYROHEETXLIQ-UHFFFAOYSA-N 0 1 289.419 3.536 20 0 CHADMN CC[C@H](C)C[C@H](C)Nc1cnccc1/C=C/N(C)C ZINC001168693063 1120270243 /nfs/dbraw/zinc/27/02/43/1120270243.db2.gz KJDHGENCCOIRKG-DBSLZISTSA-N 0 1 261.413 3.851 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)CCC[Si](C)(C)C)c1 ZINC000847669341 1120271467 /nfs/dbraw/zinc/27/14/67/1120271467.db2.gz GVXPDFHGWBUKRG-UHFFFAOYSA-N 0 1 293.439 3.652 20 0 CHADMN CC(C)CCN1Cc2cccc(NC(=O)[C@H]3C[C@H]3C)c2C1 ZINC000076171339 1120278107 /nfs/dbraw/zinc/27/81/07/1120278107.db2.gz HNNVVCPYKAGELX-HIFRSBDPSA-N 0 1 286.419 3.643 20 0 CHADMN c1n[nH]c2cc(CCNc3nc4ccccc4s3)ccc12 ZINC000672294762 1120278948 /nfs/dbraw/zinc/27/89/48/1120278948.db2.gz LYFAHDVMDNNINY-UHFFFAOYSA-N 0 1 294.383 3.827 20 0 CHADMN COc1ccnc(CN2CCC(c3ccccc3C)CC2)c1 ZINC000106861430 1120279397 /nfs/dbraw/zinc/27/93/97/1120279397.db2.gz CUMQJSFNHQPHIR-UHFFFAOYSA-N 0 1 296.414 3.778 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2nsc3ccccc32)C1 ZINC000659928667 1120290518 /nfs/dbraw/zinc/29/05/18/1120290518.db2.gz LLPFIWCFZDUMPC-CYBMUJFWSA-N 0 1 290.432 3.545 20 0 CHADMN C[C@@H]1SCC[C@@H]1N[C@@H](c1ccccc1)c1ccccn1 ZINC000313284173 1120293498 /nfs/dbraw/zinc/29/34/98/1120293498.db2.gz DOACKJJBTWOHSK-QRTARXTBSA-N 0 1 284.428 3.655 20 0 CHADMN Cc1cc(CN2CCC(c3ccccc3F)CC2)nc(C)n1 ZINC000659938435 1120295551 /nfs/dbraw/zinc/29/55/51/1120295551.db2.gz KQUDPYOVMUJLMN-UHFFFAOYSA-N 0 1 299.393 3.612 20 0 CHADMN Cc1nc(CN2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)co1 ZINC000659939759 1120296663 /nfs/dbraw/zinc/29/66/63/1120296663.db2.gz JGBJZJXYPUHOBG-FZMZJTMJSA-N 0 1 274.339 3.500 20 0 CHADMN CC(C)c1nnc(NCc2cnc(-c3ccccc3)[nH]2)s1 ZINC000181566229 1120298615 /nfs/dbraw/zinc/29/86/15/1120298615.db2.gz UGFLKEOFDULSKV-UHFFFAOYSA-N 0 1 299.403 3.664 20 0 CHADMN CN(C(=O)c1cccc2[nH]cnc21)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416282388 1120302287 /nfs/dbraw/zinc/30/22/87/1120302287.db2.gz CGPRWNYEQXUHMT-ZFWWWQNUSA-N 0 1 299.418 3.850 20 0 CHADMN CCC[N@@H+](Cc1nc(C)oc1C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000659947345 1120302809 /nfs/dbraw/zinc/30/28/09/1120302809.db2.gz KQUOHFNYPJVILK-JKSUJKDBSA-N 0 1 294.439 3.707 20 0 CHADMN CCCN(Cc1nc(C)oc1C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000659947345 1120302816 /nfs/dbraw/zinc/30/28/16/1120302816.db2.gz KQUOHFNYPJVILK-JKSUJKDBSA-N 0 1 294.439 3.707 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccccc3)[C@@H](C)C2)c(C)o1 ZINC000659955705 1120307979 /nfs/dbraw/zinc/30/79/79/1120307979.db2.gz MHVABVFWTSOJOD-GUYCJALGSA-N 0 1 284.403 3.917 20 0 CHADMN Cc1nc(CN2CCC(C3CCCC3)CC2)c(C)o1 ZINC000659958995 1120308981 /nfs/dbraw/zinc/30/89/81/1120308981.db2.gz HOLKFEZGQHUGLA-UHFFFAOYSA-N 0 1 262.397 3.694 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@@H]2c2cccc(F)c2)nc(C)n1 ZINC000659956565 1120309123 /nfs/dbraw/zinc/30/91/23/1120309123.db2.gz BOIQYFCCBXHFDZ-KZULUSFZSA-N 0 1 299.393 3.816 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1coc(C)n1 ZINC000659958979 1120309709 /nfs/dbraw/zinc/30/97/09/1120309709.db2.gz BOOWOJQGPPYUGV-KRWDZBQOSA-N 0 1 272.392 3.745 20 0 CHADMN CC[C@H](CC(F)F)CN1CCOC[C@H]1c1ccccc1 ZINC000659968144 1120315707 /nfs/dbraw/zinc/31/57/07/1120315707.db2.gz AKRVNNTURCCNDY-HIFRSBDPSA-N 0 1 283.362 3.741 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000629364784 1128907942 /nfs/dbraw/zinc/90/79/42/1128907942.db2.gz SWHLVZZVHTUNEX-YPMHNXCESA-N 0 1 295.345 3.542 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cccc(C(F)F)c2F)n1 ZINC000634555837 1128908090 /nfs/dbraw/zinc/90/80/90/1128908090.db2.gz WNKUOHLAFWLGEF-JTQLQIEISA-N 0 1 299.296 3.859 20 0 CHADMN CC[C@@H](F)CN(C)[C@@H](CC)c1ccccc1OC ZINC000672577339 1120327980 /nfs/dbraw/zinc/32/79/80/1120327980.db2.gz MRWLOKGGYDEVTM-OCCSQVGLSA-N 0 1 253.361 3.826 20 0 CHADMN CCc1[nH]nc(Cl)c1CN[C@H]1CCCc2sccc21 ZINC000922003360 1120328687 /nfs/dbraw/zinc/32/86/87/1120328687.db2.gz FPDJKKSTYNOIHL-LBPRGKRZSA-N 0 1 295.839 3.854 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccnn2C2CCC2)c(C)c1 ZINC000925542053 1120330375 /nfs/dbraw/zinc/33/03/75/1120330375.db2.gz GKDXSWHFAYVURJ-AWEZNQCLSA-N 0 1 299.418 3.776 20 0 CHADMN Cc1cccc(-c2noc(CN(CC(C)C)C3CC3)n2)c1 ZINC000042122984 1120332419 /nfs/dbraw/zinc/33/24/19/1120332419.db2.gz FBSZFHJFNNOKJD-UHFFFAOYSA-N 0 1 285.391 3.665 20 0 CHADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000387886538 1120333348 /nfs/dbraw/zinc/33/33/48/1120333348.db2.gz QGFZMXZEIOBFHS-KSSFIOAISA-N 0 1 295.382 3.649 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000629375247 1128908905 /nfs/dbraw/zinc/90/89/05/1128908905.db2.gz YSXZLEFCZXVDQT-OAGGEKHMSA-N 0 1 279.424 3.532 20 0 CHADMN C[C@@H](N[C@H]1CCCC1(F)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000672622398 1120334827 /nfs/dbraw/zinc/33/48/27/1120334827.db2.gz GUUDNKBALVWESG-UNQGMJICSA-N 0 1 265.347 3.956 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCO[C@](C)(c2ccccc2)C1 ZINC000660001686 1120335249 /nfs/dbraw/zinc/33/52/49/1120335249.db2.gz CFLQIEFVYADPEW-YOEHRIQHSA-N 0 1 297.389 3.915 20 0 CHADMN c1csc([C@@H]2C[N@@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)CCO2)c1 ZINC000660004939 1120337042 /nfs/dbraw/zinc/33/70/42/1120337042.db2.gz ITDPIHSNODGNGC-BARDWOONSA-N 0 1 277.433 3.558 20 0 CHADMN COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2cncs2)c1 ZINC000363847204 1120337075 /nfs/dbraw/zinc/33/70/75/1120337075.db2.gz MLIJMWYITFLHAE-MLGOLLRUSA-N 0 1 288.416 3.735 20 0 CHADMN COc1cccc([C@H]2C[C@@H](C)CN2Cc2cncs2)c1 ZINC000363847204 1120337080 /nfs/dbraw/zinc/33/70/80/1120337080.db2.gz MLIJMWYITFLHAE-MLGOLLRUSA-N 0 1 288.416 3.735 20 0 CHADMN FC(F)[C@H](CCc1ccccc1)NC[C@@H]1CCCSC1 ZINC000672618360 1120338430 /nfs/dbraw/zinc/33/84/30/1120338430.db2.gz UKJRVOMOVOALRU-GJZGRUSLSA-N 0 1 299.430 3.986 20 0 CHADMN Oc1ccc([C@@H]2CCN(Cc3c(F)cccc3F)C2)cc1 ZINC000628480654 1120342247 /nfs/dbraw/zinc/34/22/47/1120342247.db2.gz VIESXMCPBGLKDR-CYBMUJFWSA-N 0 1 289.325 3.660 20 0 CHADMN Cc1cscc1CNCc1cn(C)nc1C1CCCC1 ZINC000922069134 1120353603 /nfs/dbraw/zinc/35/36/03/1120353603.db2.gz SFHVFFUASMGUNR-UHFFFAOYSA-N 0 1 289.448 3.737 20 0 CHADMN Clc1ccc(CNCc2c[nH]nc2-c2cccs2)o1 ZINC000672816153 1120355904 /nfs/dbraw/zinc/35/59/04/1120355904.db2.gz HXDGSVZOHARJHJ-UHFFFAOYSA-N 0 1 293.779 3.674 20 0 CHADMN Cc1sccc1CNCc1cnn(-c2ccccc2)c1 ZINC000339186293 1120356096 /nfs/dbraw/zinc/35/60/96/1120356096.db2.gz GCTZHNHGEWQXLJ-UHFFFAOYSA-N 0 1 283.400 3.532 20 0 CHADMN CCc1nocc1CN[C@]1(C)CCCc2ccccc21 ZINC000660068436 1120361772 /nfs/dbraw/zinc/36/17/72/1120361772.db2.gz IDRAFJVBKDPRTF-QGZVFWFLSA-N 0 1 270.376 3.578 20 0 CHADMN COc1ccc(CN[C@H]2c3ccccc3CC[C@@H]2C)o1 ZINC000893269267 1120362979 /nfs/dbraw/zinc/36/29/79/1120362979.db2.gz MVTNZTJDLUDGBJ-YVEFUNNKSA-N 0 1 271.360 3.701 20 0 CHADMN Cc1cnc([C@H](C)N[C@H]2CCC[C@@H](C3CCOCC3)C2)o1 ZINC000922101525 1120366689 /nfs/dbraw/zinc/36/66/89/1120366689.db2.gz OLLRWKMOIWQBOF-IMJJTQAJSA-N 0 1 292.423 3.619 20 0 CHADMN Cc1cc(C)cc(CNCc2cnn(-c3ccccc3)c2)c1 ZINC000065890067 1120367695 /nfs/dbraw/zinc/36/76/95/1120367695.db2.gz TVGNOIRMOJMWQX-UHFFFAOYSA-N 0 1 291.398 3.779 20 0 CHADMN CC[C@@](C)(NC[C@@H](OC)C1CCCC1)c1nccs1 ZINC000660079645 1120368051 /nfs/dbraw/zinc/36/80/51/1120368051.db2.gz NJCZMJZVXVDQDH-UKRRQHHQSA-N 0 1 282.453 3.563 20 0 CHADMN C[C@@H](NCc1cnn(CC2CCC2)c1)c1ccsc1 ZINC000922107916 1120369011 /nfs/dbraw/zinc/36/90/11/1120369011.db2.gz IZPSRVCGWBADAS-GFCCVEGCSA-N 0 1 275.421 3.596 20 0 CHADMN CCC[C@@H](C)CCC[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000629492176 1128912577 /nfs/dbraw/zinc/91/25/77/1128912577.db2.gz KQEXXJZOULLHOO-CYBMUJFWSA-N 0 1 257.418 3.636 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1CC(=O)Nc1cc(Cl)ccc1F ZINC000467206003 1120380114 /nfs/dbraw/zinc/38/01/14/1120380114.db2.gz IOGHNBRAOAHZFQ-ZYHUDNBSSA-N 0 1 298.789 3.538 20 0 CHADMN CCCc1nc(C)c(CNCc2ccc(OC)cc2C)o1 ZINC000922143125 1120383603 /nfs/dbraw/zinc/38/36/03/1120383603.db2.gz FSBXACDMFSLYNU-UHFFFAOYSA-N 0 1 288.391 3.542 20 0 CHADMN Cc1cccc(CN2CC(c3cccnc3)C2)c1Cl ZINC001236858614 1128913276 /nfs/dbraw/zinc/91/32/76/1128913276.db2.gz OJELKBOKZNXCEW-UHFFFAOYSA-N 0 1 272.779 3.643 20 0 CHADMN CC(C)[C@H]1C[C@@H](CNCc2nc(C(C)(C)C)co2)CCO1 ZINC000922158937 1120396028 /nfs/dbraw/zinc/39/60/28/1120396028.db2.gz NRSARMXLVYWYPK-UONOGXRCSA-N 0 1 294.439 3.513 20 0 CHADMN CSc1cccc(CN2CCOCC23CCCC3)c1 ZINC000660149711 1120399432 /nfs/dbraw/zinc/39/94/32/1120399432.db2.gz KBAPYXFXVDPJMQ-UHFFFAOYSA-N 0 1 277.433 3.554 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H](C)c1ccc(C)nc1C ZINC000682143637 1120411289 /nfs/dbraw/zinc/41/12/89/1120411289.db2.gz OVBADUYDJUYWBA-KBPBESRZSA-N 0 1 285.391 3.514 20 0 CHADMN c1coc(CN(CCC2CCC2)Cc2cccnc2)c1 ZINC000660168374 1120411690 /nfs/dbraw/zinc/41/16/90/1120411690.db2.gz OALPJBNDZFVJML-UHFFFAOYSA-N 0 1 270.376 3.867 20 0 CHADMN CCc1cccc(CN[C@@H](C)c2c(C)noc2C)c1 ZINC000682532932 1120417170 /nfs/dbraw/zinc/41/71/70/1120417170.db2.gz JQFYAASPPXNEHD-NSHDSACASA-N 0 1 258.365 3.705 20 0 CHADMN CCC1(c2noc([C@@H](CC(C)(C)C)NC)n2)CCCC1 ZINC000843224654 1120419378 /nfs/dbraw/zinc/41/93/78/1120419378.db2.gz QRMCNFLWSSBOEK-GFCCVEGCSA-N 0 1 279.428 3.988 20 0 CHADMN Cc1cc(C(=O)Nc2cccc(Cl)c2O)cc(Cl)n1 ZINC000187330954 1120419564 /nfs/dbraw/zinc/41/95/64/1120419564.db2.gz GIPYJYTYRVDYDW-UHFFFAOYSA-N 0 1 297.141 3.655 20 0 CHADMN Cc1nccc(N2CC[C@@H](CC3CC3)C2)c1Cl ZINC000338813310 1120431131 /nfs/dbraw/zinc/43/11/31/1120431131.db2.gz UGHYBNVDUXPEPH-LBPRGKRZSA-N 0 1 250.773 3.670 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1csc(C(C)C)n1)CC(C)C ZINC000417380323 1120440102 /nfs/dbraw/zinc/44/01/02/1120440102.db2.gz UTMDWRKWZGTHHN-QWHCGFSZSA-N 0 1 284.469 3.978 20 0 CHADMN CS[C@H](C)CN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000925602010 1120443244 /nfs/dbraw/zinc/44/32/44/1120443244.db2.gz PJQKRYZCSDDQSI-PBHICJAKSA-N 0 1 286.444 3.821 20 0 CHADMN c1ccc(CN(CCOC2CCCCCC2)C2CC2)nc1 ZINC000357612312 1120443261 /nfs/dbraw/zinc/44/32/61/1120443261.db2.gz JYPARSLZXBGJEQ-UHFFFAOYSA-N 0 1 288.435 3.785 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc(OC(C)C)c2)nc(C)n1 ZINC000660184195 1128916591 /nfs/dbraw/zinc/91/65/91/1128916591.db2.gz QKOUYHWMASZXBL-AWEZNQCLSA-N 0 1 299.418 3.731 20 0 CHADMN CC1=C(C)C[C@H](C(=O)Nc2ccc(F)c(F)c2O)CC1 ZINC000584782560 1120445588 /nfs/dbraw/zinc/44/55/88/1120445588.db2.gz ZXRCMGPIMDCMAP-SNVBAGLBSA-N 0 1 281.302 3.745 20 0 CHADMN CCC[C@H](NC(=O)c1n[nH]c2ccccc21)c1ccccc1 ZINC000018135621 1120452558 /nfs/dbraw/zinc/45/25/58/1120452558.db2.gz XWGYVKPEDQMBRT-HNNXBMFYSA-N 0 1 293.370 3.834 20 0 CHADMN FC1(F)C[C@]12CC[N@@H+](Cc1cnc(-c3ccccc3)o1)C2 ZINC000930866293 1120455615 /nfs/dbraw/zinc/45/56/15/1120455615.db2.gz JLVZEISYLSJZGE-HNNXBMFYSA-N 0 1 290.313 3.573 20 0 CHADMN C[C@@H](NCc1cccnc1)c1csc(Cl)c1 ZINC000191105613 1120514922 /nfs/dbraw/zinc/51/49/22/1120514922.db2.gz NQEVMNMZHZACBN-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN Cc1ccc2nc(CNC(=O)[C@H]3CCC(C)=C(C)C3)[nH]c2c1 ZINC000584841411 1120463654 /nfs/dbraw/zinc/46/36/54/1120463654.db2.gz OPVIMFNJJKTNEY-AWEZNQCLSA-N 0 1 297.402 3.624 20 0 CHADMN Cc1ccc2nc(CNC(=O)[C@@H]3CCC(C)=C(C)C3)[nH]c2c1 ZINC000584841415 1120463698 /nfs/dbraw/zinc/46/36/98/1120463698.db2.gz OPVIMFNJJKTNEY-CQSZACIVSA-N 0 1 297.402 3.624 20 0 CHADMN COc1cccc(CN2CCCC[C@@H]2c2ccccc2)n1 ZINC000358033571 1120467592 /nfs/dbraw/zinc/46/75/92/1120467592.db2.gz DTRADEWDBRHLPB-QGZVFWFLSA-N 0 1 282.387 3.817 20 0 CHADMN Cc1ccccc1C1(NCc2cnn(C3CCC3)c2)CC1 ZINC000922209253 1120468267 /nfs/dbraw/zinc/46/82/67/1120468267.db2.gz JZAZXJKYRQJRCN-UHFFFAOYSA-N 0 1 281.403 3.695 20 0 CHADMN Cc1nnc([C@H](C)NC[C@@H]2CC[C@@H](c3ccccc3)C2)o1 ZINC000660272914 1120477920 /nfs/dbraw/zinc/47/79/20/1120477920.db2.gz SBMJAZHVCHNZIB-JGGQBBKZSA-N 0 1 285.391 3.613 20 0 CHADMN CCn1cncc1CN1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000417776699 1120479567 /nfs/dbraw/zinc/47/95/67/1120479567.db2.gz BFMIPDSFUDRWLR-BBRMVZONSA-N 0 1 287.407 3.778 20 0 CHADMN CC(C)C[C@H](O)CNCc1cc(Cl)sc1Cl ZINC000312583825 1120482014 /nfs/dbraw/zinc/48/20/14/1120482014.db2.gz NTCBWERDEXROPR-VIFPVBQESA-N 0 1 282.236 3.552 20 0 CHADMN C[C@@H](NCc1nc(C(C)(C)C)co1)C1CCC(F)CC1 ZINC000922260625 1120487566 /nfs/dbraw/zinc/48/75/66/1120487566.db2.gz LJLUNHFVKACIPP-PNESKVBLSA-N 0 1 282.403 3.979 20 0 CHADMN COc1cncc(CN2CCCCC[C@@H]2c2ccco2)c1 ZINC000343860168 1120490646 /nfs/dbraw/zinc/49/06/46/1120490646.db2.gz MBCFHUMRTVGZOM-MRXNPFEDSA-N 0 1 286.375 3.801 20 0 CHADMN CCC(C)(C)c1ccc(CNCc2cc(C)nn2C)cc1 ZINC000417946065 1120495101 /nfs/dbraw/zinc/49/51/01/1120495101.db2.gz GGMYDSWEYORMBJ-UHFFFAOYSA-N 0 1 285.435 3.706 20 0 CHADMN CCc1nocc1CN[C@H](C)c1ccc2ncsc2c1 ZINC000660322995 1120499422 /nfs/dbraw/zinc/49/94/22/1120499422.db2.gz PMUPDWHORBGURA-SNVBAGLBSA-N 0 1 287.388 3.698 20 0 CHADMN CCc1nocc1CN[C@@H](C)c1ccc2ncsc2c1 ZINC000660322993 1120499970 /nfs/dbraw/zinc/49/99/70/1120499970.db2.gz PMUPDWHORBGURA-JTQLQIEISA-N 0 1 287.388 3.698 20 0 CHADMN CC[C@@H](C)N1CCc2c(Br)cccc2C1 ZINC000500069422 1120502650 /nfs/dbraw/zinc/50/26/50/1120502650.db2.gz QDYXODUUMUSVIK-SNVBAGLBSA-N 0 1 268.198 3.606 20 0 CHADMN CCC[C@@H]1CCCN(CC(=O)Nc2cc(C)ccc2C)C1 ZINC000466461785 1120513082 /nfs/dbraw/zinc/51/30/82/1120513082.db2.gz DRAFMQIREVTFKQ-MRXNPFEDSA-N 0 1 288.435 3.754 20 0 CHADMN C[C@H](N[C@H](c1cccnc1)C1CC1)c1ccnn1C1CCC1 ZINC000925647457 1120513721 /nfs/dbraw/zinc/51/37/21/1120513721.db2.gz ZEBYRMOWEPWGPX-UGSOOPFHSA-N 0 1 296.418 3.805 20 0 CHADMN Fc1ccc(/C=C\CN[C@@H]2COc3ccc(F)cc32)cc1 ZINC000466465129 1120515147 /nfs/dbraw/zinc/51/51/47/1120515147.db2.gz UCBGDBFPRQRBLQ-STOZHHMFSA-N 0 1 287.309 3.701 20 0 CHADMN Cc1cnc(CN[C@H]2CCCc3c(C)cccc32)s1 ZINC000657797257 1120524783 /nfs/dbraw/zinc/52/47/83/1120524783.db2.gz JFIVDSPLMDQENJ-HNNXBMFYSA-N 0 1 272.417 3.927 20 0 CHADMN CCc1ccc(NC(=O)c2ccc(O)c(Cl)c2)cc1 ZINC000019839967 1120529746 /nfs/dbraw/zinc/52/97/46/1120529746.db2.gz QVTCKFUEVLDOAK-UHFFFAOYSA-N 0 1 275.735 3.860 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000086756819 1120535689 /nfs/dbraw/zinc/53/56/89/1120535689.db2.gz YPUOIYDNIMNRQK-IUODEOHRSA-N 0 1 295.810 3.978 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2nn(C)cc21)c1ccccc1F ZINC000282361826 1120546871 /nfs/dbraw/zinc/54/68/71/1120546871.db2.gz HSWBHFVNKAGRHK-CVEARBPZSA-N 0 1 287.382 3.678 20 0 CHADMN C[C@H](NCc1ccccc1F)c1ccc(F)c(F)c1 ZINC000019950277 1120550390 /nfs/dbraw/zinc/55/03/90/1120550390.db2.gz WLQNSJDYZRHMPH-JTQLQIEISA-N 0 1 265.278 3.955 20 0 CHADMN C[C@@H](NCc1ccccn1)c1cccc(C(F)(F)F)c1 ZINC000019957457 1120551634 /nfs/dbraw/zinc/55/16/34/1120551634.db2.gz RWJRBKSGBREBHE-LLVKDONJSA-N 0 1 280.293 3.951 20 0 CHADMN C[C@H]1CC(C)(C)c2cccc(NCc3cnc[nH]3)c21 ZINC000922582887 1120555536 /nfs/dbraw/zinc/55/55/36/1120555536.db2.gz OJPHXVGPYSQXDG-NSHDSACASA-N 0 1 255.365 3.807 20 0 CHADMN Fc1cc(F)cc(CN[C@@H](c2ccccn2)C2CC2)c1 ZINC000922584188 1120557212 /nfs/dbraw/zinc/55/72/12/1120557212.db2.gz DKOVLIGXRIZNMM-MRXNPFEDSA-N 0 1 274.314 3.601 20 0 CHADMN CC(C)(O)c1ccc(CN[C@H](c2ccccn2)C2CC2)cc1 ZINC000922584910 1120557394 /nfs/dbraw/zinc/55/73/94/1120557394.db2.gz OLQVEWWBCHXNBT-SFHVURJKSA-N 0 1 296.414 3.550 20 0 CHADMN c1ccc([C@H](NCc2cnc3ccccc3c2)C2CC2)nc1 ZINC000922587308 1120558627 /nfs/dbraw/zinc/55/86/27/1120558627.db2.gz YYZRNSDEYUUQPD-LJQANCHMSA-N 0 1 289.382 3.871 20 0 CHADMN C[C@@H](NCc1sccc1Cl)c1cccnc1 ZINC000192981931 1120562118 /nfs/dbraw/zinc/56/21/18/1120562118.db2.gz MWEXDZZOBIFMMX-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN c1ccc([C@@H]2CC[C@@H](c3nc([C@H]4CCCN4)no3)C2)cc1 ZINC000629675370 1128924905 /nfs/dbraw/zinc/92/49/05/1128924905.db2.gz RAHLLJKKZRRXQS-RBSFLKMASA-N 0 1 283.375 3.545 20 0 CHADMN Cc1n[nH]cc1CNC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000652042763 1120569037 /nfs/dbraw/zinc/56/90/37/1120569037.db2.gz WUDRNSGPAYNUMT-UHFFFAOYSA-N 0 1 295.308 3.516 20 0 CHADMN CC(C)c1cccc(CNCc2cccnc2N(C)C)c1 ZINC000673606181 1120572876 /nfs/dbraw/zinc/57/28/76/1120572876.db2.gz ZMDVIUCTSBDYAU-UHFFFAOYSA-N 0 1 283.419 3.561 20 0 CHADMN COc1cc(C)nc(CN[C@H](C)c2ccc(F)cc2C)c1 ZINC000922666736 1120574923 /nfs/dbraw/zinc/57/49/23/1120574923.db2.gz GJARPTVKEGIJCD-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN CCOc1cncc(CN[C@@H](C)c2ccc(F)cc2C)c1 ZINC000922668732 1120575068 /nfs/dbraw/zinc/57/50/68/1120575068.db2.gz HYVCGECHSVMCGK-ZDUSSCGKSA-N 0 1 288.366 3.779 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1cnn(C(C)(C)C)c1 ZINC000922669949 1120576688 /nfs/dbraw/zinc/57/66/88/1120576688.db2.gz FUIDJFNWMODSGP-ZDUSSCGKSA-N 0 1 289.398 3.936 20 0 CHADMN Cc1ccsc1[C@H](Cc1ccccc1)NCc1cc[nH]n1 ZINC000124711584 1120581511 /nfs/dbraw/zinc/58/15/11/1120581511.db2.gz UNBOQKMOMBOSBT-INIZCTEOSA-N 0 1 297.427 3.853 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H](C)c1cccnc1 ZINC000020096778 1120583931 /nfs/dbraw/zinc/58/39/31/1120583931.db2.gz PCWWZILKUKXXTQ-OLZOCXBDSA-N 0 1 256.349 3.502 20 0 CHADMN CC[C@H]1CCC[C@H]1NCc1ncsc1Br ZINC000660411166 1120586997 /nfs/dbraw/zinc/58/69/97/1120586997.db2.gz VDWZGVPNZWVREE-DTWKUNHWSA-N 0 1 289.242 3.574 20 0 CHADMN CC(C)c1nc(CN2CCc3c(cccc3C(C)C)C2)n[nH]1 ZINC000428973888 1120594023 /nfs/dbraw/zinc/59/40/23/1120594023.db2.gz DIKHMZPENVICKM-UHFFFAOYSA-N 0 1 298.434 3.610 20 0 CHADMN C[C@H]1CCC[C@H](C)N(Cc2nc(Cc3ccccc3)no2)C1 ZINC000125191907 1120601183 /nfs/dbraw/zinc/60/11/83/1120601183.db2.gz HWIYFABKMIEFAC-GJZGRUSLSA-N 0 1 299.418 3.671 20 0 CHADMN COc1ccc(Oc2ccc(CN[C@H](C)CF)cc2)cc1 ZINC000673619522 1120603416 /nfs/dbraw/zinc/60/34/16/1120603416.db2.gz ZVIATDYYAHUWKY-CYBMUJFWSA-N 0 1 289.350 3.935 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](c2ccccc2C)C2CC2)nn1C ZINC000282385945 1120604475 /nfs/dbraw/zinc/60/44/75/1120604475.db2.gz XFMDANIUDQVUMY-RDTXWAMCSA-N 0 1 283.419 3.839 20 0 CHADMN CC(C)c1cnc(CNC[C@@H]2CCCC3(CCC3)O2)s1 ZINC000922807707 1120604850 /nfs/dbraw/zinc/60/48/50/1120604850.db2.gz UCBRNFMUUFLMPJ-ZDUSSCGKSA-N 0 1 294.464 3.848 20 0 CHADMN CCc1ccc(CN(CC)Cc2cccs2)nc1 ZINC000338881434 1120605259 /nfs/dbraw/zinc/60/52/59/1120605259.db2.gz CRVRHBJPZLZYSM-UHFFFAOYSA-N 0 1 260.406 3.728 20 0 CHADMN CC(C)CN(Cc1ccncc1Br)C(C)C ZINC000625084666 1120630842 /nfs/dbraw/zinc/63/08/42/1120630842.db2.gz MWHTZNUHIOTHDU-UHFFFAOYSA-N 0 1 285.229 3.711 20 0 CHADMN Cc1cc(F)ccc1CN[C@H]1CCCc2cccnc21 ZINC000922881243 1120617484 /nfs/dbraw/zinc/61/74/84/1120617484.db2.gz LWUSEZITELEAJA-INIZCTEOSA-N 0 1 270.351 3.696 20 0 CHADMN CCc1nc(CNCCc2ccc3[nH]ccc3c2)cs1 ZINC000282403769 1120617584 /nfs/dbraw/zinc/61/75/84/1120617584.db2.gz PTKPGCVQDNLRDC-UHFFFAOYSA-N 0 1 285.416 3.519 20 0 CHADMN CCc1cc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)n[nH]1 ZINC000766006099 1120620708 /nfs/dbraw/zinc/62/07/08/1120620708.db2.gz ZHGNZJJFMVLEDM-MRXNPFEDSA-N 0 1 297.402 3.508 20 0 CHADMN CCc1cc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)[nH]n1 ZINC000766006099 1120620709 /nfs/dbraw/zinc/62/07/09/1120620709.db2.gz ZHGNZJJFMVLEDM-MRXNPFEDSA-N 0 1 297.402 3.508 20 0 CHADMN Cc1ccc(-c2ccc(CN(C)C)c(F)c2)c(O)c1 ZINC000629709047 1128928953 /nfs/dbraw/zinc/92/89/53/1128928953.db2.gz MSBRZNWPBBEOTI-UHFFFAOYSA-N 0 1 259.324 3.568 20 0 CHADMN CC(C)c1nn(-c2ccccc2)cc1CNC(C)(C)CF ZINC000473065754 1120627135 /nfs/dbraw/zinc/62/71/35/1120627135.db2.gz KJTHDHZIDKYJJY-UHFFFAOYSA-N 0 1 289.398 3.833 20 0 CHADMN CC(C)SCCN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000282409423 1120627177 /nfs/dbraw/zinc/62/71/77/1120627177.db2.gz FXKQPNLUXXBSNK-QMMMGPOBSA-N 0 1 298.399 3.954 20 0 CHADMN FCCCN1CCCC[C@H]1c1ccc(F)cc1F ZINC000432021395 1120628310 /nfs/dbraw/zinc/62/83/10/1120628310.db2.gz VJRRZHCBDFJZNT-AWEZNQCLSA-N 0 1 257.299 3.851 20 0 CHADMN c1ccc(-c2cnc(CN[C@H]3CCC34CCC4)nc2)cc1 ZINC000282410840 1120630923 /nfs/dbraw/zinc/63/09/23/1120630923.db2.gz CHGRAXLFKUBEML-INIZCTEOSA-N 0 1 279.387 3.566 20 0 CHADMN CCN(Cc1ccncc1Br)[C@H](C)C(C)C ZINC000625107849 1120634887 /nfs/dbraw/zinc/63/48/87/1120634887.db2.gz LZSPVEHBRDJWGX-LLVKDONJSA-N 0 1 285.229 3.711 20 0 CHADMN Clc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc1 ZINC000473135046 1120635390 /nfs/dbraw/zinc/63/53/90/1120635390.db2.gz KYGBWCBTIJLPCN-UHFFFAOYSA-N 0 1 296.717 3.933 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1cccc(Br)n1 ZINC000310095924 1120635827 /nfs/dbraw/zinc/63/58/27/1120635827.db2.gz AIZWPGZBJOAWIS-CYBMUJFWSA-N 0 1 297.240 3.999 20 0 CHADMN CCC(CC)N(Cc1ccncc1Br)C1CC1 ZINC000625132912 1120637395 /nfs/dbraw/zinc/63/73/95/1120637395.db2.gz FPAJHXVLASEVIZ-UHFFFAOYSA-N 0 1 297.240 3.997 20 0 CHADMN COc1ccc([C@H](NCc2conc2C)C2CCC2)cc1 ZINC000922889578 1120638470 /nfs/dbraw/zinc/63/84/70/1120638470.db2.gz UTTORZQQISYKIG-QGZVFWFLSA-N 0 1 286.375 3.623 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1ccncc1Br ZINC000625152363 1120639760 /nfs/dbraw/zinc/63/97/60/1120639760.db2.gz OARWZTJKFLLQBD-PHIMTYICSA-N 0 1 283.213 3.607 20 0 CHADMN CCc1nocc1CN(C)C(C)(C)c1ccccc1 ZINC000660496528 1120640026 /nfs/dbraw/zinc/64/00/26/1120640026.db2.gz RFWKCESHUICRQS-UHFFFAOYSA-N 0 1 258.365 3.604 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2cc(O)ccc2Cl)CC1 ZINC000625154585 1120640206 /nfs/dbraw/zinc/64/02/06/1120640206.db2.gz YEGQTARZHBFZJY-OAHLLOKOSA-N 0 1 297.826 3.827 20 0 CHADMN Clc1ccc2nc(SC[C@@H]3CCCCO3)[nH]c2c1 ZINC000022132449 1120640964 /nfs/dbraw/zinc/64/09/64/1120640964.db2.gz ZFAANGQGCBWUSC-JTQLQIEISA-N 0 1 282.796 3.878 20 0 CHADMN FC(F)(F)c1ncccc1CN1CC[C@H](c2ccco2)C1 ZINC000625158687 1120640976 /nfs/dbraw/zinc/64/09/76/1120640976.db2.gz HJHWQUAGTUBGHP-NSHDSACASA-N 0 1 296.292 3.683 20 0 CHADMN COc1ccc([C@@H](NCc2nccs2)C2CCC2)cc1 ZINC000922890598 1120642315 /nfs/dbraw/zinc/64/23/15/1120642315.db2.gz HCIMTALFAGVXRJ-INIZCTEOSA-N 0 1 288.416 3.783 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)N(C)Cc1ccnn1C ZINC000511765145 1120642772 /nfs/dbraw/zinc/64/27/72/1120642772.db2.gz MTBKVCUIGZUEOI-AWEZNQCLSA-N 0 1 279.387 3.766 20 0 CHADMN Clc1cccnc1CN1C2CCCC1CCC2 ZINC000625188454 1120643329 /nfs/dbraw/zinc/64/33/29/1120643329.db2.gz AVEYOPHIXOVYGO-UHFFFAOYSA-N 0 1 250.773 3.642 20 0 CHADMN CC(C)Oc1ccc(-c2cccc([C@@H]3COCCN3)c2)cc1 ZINC000629733602 1128930558 /nfs/dbraw/zinc/93/05/58/1128930558.db2.gz ZWQKXQQJNHFHTC-IBGZPJMESA-N 0 1 297.398 3.802 20 0 CHADMN CCO[C@H](CN[C@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000625227582 1120651734 /nfs/dbraw/zinc/65/17/34/1120651734.db2.gz HZEOJNJZJCNJQV-RTBURBONSA-N 0 1 296.414 3.576 20 0 CHADMN Cn1nccc1[C@@H]1CCCCN1C/C=C/c1ccccc1 ZINC000500431852 1120653411 /nfs/dbraw/zinc/65/34/11/1120653411.db2.gz ZSRDYRXFUKKAGD-HKMNZKMDSA-N 0 1 281.403 3.661 20 0 CHADMN CO[C@@H](CN1CCCC[C@@H]1c1cc[nH]n1)C1CCCCC1 ZINC000660536064 1120653759 /nfs/dbraw/zinc/65/37/59/1120653759.db2.gz NVRAAVMPNJAVFW-SJORKVTESA-N 0 1 291.439 3.532 20 0 CHADMN CCc1nc([C@H](C)N2CC(C)(C)[C@@H]2c2cccs2)n[nH]1 ZINC000660556458 1120658284 /nfs/dbraw/zinc/65/82/84/1120658284.db2.gz GYLNGRGRRBQDLT-GWCFXTLKSA-N 0 1 290.436 3.573 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(-n3cccn3)cc2)oc1C ZINC000282436981 1120665133 /nfs/dbraw/zinc/66/51/33/1120665133.db2.gz ZFMQPOQCSLAVPD-AWEZNQCLSA-N 0 1 295.386 3.933 20 0 CHADMN Cc1nc(C)c(CN2Cc3ccccc3O[C@H](C)C2)s1 ZINC000429116619 1120667415 /nfs/dbraw/zinc/66/74/15/1120667415.db2.gz NIHKBTANVUMTNM-LLVKDONJSA-N 0 1 288.416 3.543 20 0 CHADMN Clc1ccc2nc(CN3CCC[C@H]4CCC[C@H]43)cn2c1 ZINC000511860041 1120671018 /nfs/dbraw/zinc/67/10/18/1120671018.db2.gz OWLDEEAEBINUBQ-IUODEOHRSA-N 0 1 289.810 3.752 20 0 CHADMN Cc1cnc2c(c1)CN([C@@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001168741811 1120672058 /nfs/dbraw/zinc/67/20/58/1120672058.db2.gz ARLBTFXZBKELCD-OAHLLOKOSA-N 0 1 298.817 3.569 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2N(C)C)Cc2ccccc2O1 ZINC000429148947 1120680175 /nfs/dbraw/zinc/68/01/75/1120680175.db2.gz JCFAKICDBYERLE-OAHLLOKOSA-N 0 1 296.414 3.536 20 0 CHADMN FC(F)(F)C1CCN(Cc2cc3cnccc3o2)CC1 ZINC000651611896 1120680913 /nfs/dbraw/zinc/68/09/13/1120680913.db2.gz RBBOTGJASVPXSG-UHFFFAOYSA-N 0 1 284.281 3.602 20 0 CHADMN c1ccc2c(c1)snc2CN1CCSC[C@H]1C1CC1 ZINC000660726594 1120682052 /nfs/dbraw/zinc/68/20/52/1120682052.db2.gz XEYPKECZTUFQFB-AWEZNQCLSA-N 0 1 290.457 3.624 20 0 CHADMN CCCC[C@@H](CC)C[NH2+]C(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000660752496 1120684660 /nfs/dbraw/zinc/68/46/60/1120684660.db2.gz VUDLERQFDVICGK-CYBMUJFWSA-N 0 1 279.428 3.532 20 0 CHADMN CN(CCC1=CCCCC1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660768888 1120686871 /nfs/dbraw/zinc/68/68/71/1120686871.db2.gz VJIODWSXXMGBRQ-QGZVFWFLSA-N 0 1 296.418 3.716 20 0 CHADMN Clc1ccc(CN[C@H]2CCCc3n[nH]cc32)c(Cl)c1 ZINC000334312869 1120691829 /nfs/dbraw/zinc/69/18/29/1120691829.db2.gz LDPWCFXVHAIMRX-ZDUSSCGKSA-N 0 1 296.201 3.884 20 0 CHADMN CCCc1cc(C(=O)N(C)[C@H]2CCCc3ccccc32)n[nH]1 ZINC000044249823 1120697318 /nfs/dbraw/zinc/69/73/18/1120697318.db2.gz KXSBCKKHNURZAI-KRWDZBQOSA-N 0 1 297.402 3.512 20 0 CHADMN O=C(CN1C[C@@H]2CCCC[C@@H]21)Nc1cccc2ccccc21 ZINC000660932980 1120705068 /nfs/dbraw/zinc/70/50/68/1120705068.db2.gz ZBIVICXACXFMOG-YJBOKZPZSA-N 0 1 294.398 3.653 20 0 CHADMN CCO[C@@H](C)c1nc(CN(CC)[C@H](C)CC)cs1 ZINC000661105173 1120719273 /nfs/dbraw/zinc/71/92/73/1120719273.db2.gz DMWOWSWGDVUZQU-NEPJUHHUSA-N 0 1 270.442 3.861 20 0 CHADMN CC(C)[C@@H](C)NC(=O)CN(Cc1ccsc1)C(C)(C)C ZINC000661137484 1120727143 /nfs/dbraw/zinc/72/71/43/1120727143.db2.gz QAFJYTOEEHPEAX-CYBMUJFWSA-N 0 1 296.480 3.509 20 0 CHADMN COCCSCCC[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000618751186 1128936771 /nfs/dbraw/zinc/93/67/71/1128936771.db2.gz PMFLEDYRWOZAJC-CYBMUJFWSA-N 0 1 297.439 3.515 20 0 CHADMN CCCn1c(C)nnc1CN1CCCC2(CCCC2)CC1 ZINC000661230657 1120740989 /nfs/dbraw/zinc/74/09/89/1120740989.db2.gz DJGROMCHNNJNLM-UHFFFAOYSA-N 0 1 290.455 3.543 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1noc(-c2ccccc2)n1 ZINC000661236113 1120742558 /nfs/dbraw/zinc/74/25/58/1120742558.db2.gz XMGBJDIRLHGBQN-LBPRGKRZSA-N 0 1 273.380 3.651 20 0 CHADMN CC[C@@]1(C)CCC[C@H]1NCc1nccc(C(F)(F)F)n1 ZINC000651830883 1120756065 /nfs/dbraw/zinc/75/60/65/1120756065.db2.gz TUCIOYLQFZDXOT-MFKMUULPSA-N 0 1 287.329 3.554 20 0 CHADMN Cc1ccccc1C1(NCc2cc3cnccc3o2)CC1 ZINC000651843180 1120762139 /nfs/dbraw/zinc/76/21/39/1120762139.db2.gz XQKVSLQKKQGTTR-UHFFFAOYSA-N 0 1 278.355 3.915 20 0 CHADMN CSc1ccccc1CN1CC2(CCC2)OC[C@@H]1C ZINC000661469977 1120769450 /nfs/dbraw/zinc/76/94/50/1120769450.db2.gz PVZQYYSYPINIRY-ZDUSSCGKSA-N 0 1 277.433 3.552 20 0 CHADMN C[C@H]1COC2(CCC2)CN1Cc1ccc(C(F)F)cc1 ZINC000661471053 1120769560 /nfs/dbraw/zinc/76/95/60/1120769560.db2.gz XEDVZEAPMSHPAQ-LBPRGKRZSA-N 0 1 281.346 3.768 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](c2ccccc2F)C(C)C)n[nH]1 ZINC000661485026 1120770025 /nfs/dbraw/zinc/77/00/25/1120770025.db2.gz NYMYUNVILMFBDJ-XHDPSFHLSA-N 0 1 290.386 3.554 20 0 CHADMN Cc1noc(C)c1CN[C@@H](c1ccccc1F)C(C)C ZINC000661482746 1120770100 /nfs/dbraw/zinc/77/01/00/1120770100.db2.gz CHBVPSQUUINKNZ-MRXNPFEDSA-N 0 1 276.355 3.917 20 0 CHADMN C[C@@H](O)[C@@H](NCc1cccc2c1CCC2)c1ccccc1F ZINC000651891993 1120771047 /nfs/dbraw/zinc/77/10/47/1120771047.db2.gz YHYXKIRFJNECOG-BFUOFWGJSA-N 0 1 299.389 3.526 20 0 CHADMN CC[C@H]1CN(Cc2ccc3cnccc3c2)[C@@H](CC)CO1 ZINC000651913527 1120777596 /nfs/dbraw/zinc/77/75/96/1120777596.db2.gz ZEVJFZPVZLQKLT-ROUUACIJSA-N 0 1 284.403 3.624 20 0 CHADMN CCCCc1cc(=O)n(Cc2ccc(Cl)cc2)[nH]1 ZINC000634606930 1128939805 /nfs/dbraw/zinc/93/98/05/1128939805.db2.gz GZGRWJXWDFCWQH-UHFFFAOYSA-N 0 1 264.756 3.619 20 0 CHADMN Cc1ccccc1C[N@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000661563484 1120779449 /nfs/dbraw/zinc/77/94/49/1120779449.db2.gz YFFCSZNALZJFGH-GOSISDBHSA-N 0 1 297.398 3.942 20 0 CHADMN Cc1ccccc1CN1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000661563484 1120779453 /nfs/dbraw/zinc/77/94/53/1120779453.db2.gz YFFCSZNALZJFGH-GOSISDBHSA-N 0 1 297.398 3.942 20 0 CHADMN Cc1ccc(CN2CC3(CCOCC3)[C@@H]2c2ccco2)cc1 ZINC000661562401 1120779545 /nfs/dbraw/zinc/77/95/45/1120779545.db2.gz RMIIBZFALCZIOO-SFHVURJKSA-N 0 1 297.398 3.942 20 0 CHADMN c1csc(C[N@H+]2CC[C@H](C3CCCCC3)C2)n1 ZINC000661577472 1120781128 /nfs/dbraw/zinc/78/11/28/1120781128.db2.gz BHGKQLCZCQETKQ-ZDUSSCGKSA-N 0 1 250.411 3.545 20 0 CHADMN c1csc(CN2CC[C@H](C3CCCCC3)C2)n1 ZINC000661577472 1120781133 /nfs/dbraw/zinc/78/11/33/1120781133.db2.gz BHGKQLCZCQETKQ-ZDUSSCGKSA-N 0 1 250.411 3.545 20 0 CHADMN c1nc(CN2CC[C@@H](C3CCCCC3)C2)oc1C1CC1 ZINC000661578683 1120781728 /nfs/dbraw/zinc/78/17/28/1120781728.db2.gz RONLABABUOOIAJ-OAHLLOKOSA-N 0 1 274.408 3.954 20 0 CHADMN C[C@@H](c1csnn1)N1CCC(C)(C)CC(C)(C)C1 ZINC000661627253 1120787244 /nfs/dbraw/zinc/78/72/44/1120787244.db2.gz OVIZXETZEDKDPT-NSHDSACASA-N 0 1 267.442 3.747 20 0 CHADMN CC1(C)CCN(Cc2nccn2C(F)F)CC(C)(C)C1 ZINC000661626779 1120787846 /nfs/dbraw/zinc/78/78/46/1120787846.db2.gz LVJRPWUZGOWCDQ-UHFFFAOYSA-N 0 1 285.382 3.926 20 0 CHADMN Cc1ccc2[nH]c(CN3CCOCC4(CCC4)C3)cc2c1C ZINC000473126114 1120788300 /nfs/dbraw/zinc/78/83/00/1120788300.db2.gz JQOWCXYNTSKQDB-UHFFFAOYSA-N 0 1 298.430 3.787 20 0 CHADMN CCc1nc(C(C)C)ccc1CN(C)CC1=CCCOC1 ZINC000661654051 1120790271 /nfs/dbraw/zinc/79/02/71/1120790271.db2.gz VOSMEBBFAVEZBC-UHFFFAOYSA-N 0 1 288.435 3.546 20 0 CHADMN FCC[C@H]1CCCN(Cc2ccsc2Cl)C1 ZINC000661689552 1120793911 /nfs/dbraw/zinc/79/39/11/1120793911.db2.gz STWDPYJHTHYPJK-SNVBAGLBSA-N 0 1 261.793 3.973 20 0 CHADMN FCC[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000661694024 1120794670 /nfs/dbraw/zinc/79/46/70/1120794670.db2.gz VJTWQFPGCXMFGF-LLVKDONJSA-N 0 1 257.299 3.536 20 0 CHADMN FCC[C@H]1CCCN(Cc2csc(-c3ccoc3)n2)C1 ZINC000661692584 1120796523 /nfs/dbraw/zinc/79/65/23/1120796523.db2.gz HERWQQMHGZYBDS-GFCCVEGCSA-N 0 1 294.395 3.975 20 0 CHADMN COc1cc(CN2CCC(C)(C)C2)cc(C(F)(F)F)c1 ZINC001143517482 1120812267 /nfs/dbraw/zinc/81/22/67/1120812267.db2.gz NHJBHCMCLDERDZ-UHFFFAOYSA-N 0 1 287.325 3.946 20 0 CHADMN CCCC[C@H](CC)CCCN(C)C(=O)c1cnccc1N ZINC000663001151 1120815342 /nfs/dbraw/zinc/81/53/42/1120815342.db2.gz PRGFJEGCUCUYMQ-AWEZNQCLSA-N 0 1 291.439 3.563 20 0 CHADMN C[C@@H](N[C@H](CO)CCF)c1cc(F)c(Cl)cc1Cl ZINC000652305930 1120815830 /nfs/dbraw/zinc/81/58/30/1120815830.db2.gz LUKGHCUUYXXKOS-SFYZADRCSA-N 0 1 298.160 3.504 20 0 CHADMN CN(Cc1cc2ccccc2[nH]1)Cc1ccc(F)cc1 ZINC000674506096 1120820782 /nfs/dbraw/zinc/82/07/82/1120820782.db2.gz ZXVDLRIMEXDRFJ-UHFFFAOYSA-N 0 1 268.335 3.939 20 0 CHADMN Clc1ccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)nc1 ZINC000661876276 1120832695 /nfs/dbraw/zinc/83/26/95/1120832695.db2.gz UPUHFVSQLCCADN-CJNGLKHVSA-N 0 1 294.826 3.516 20 0 CHADMN Cc1cccc([C@H]2CCN(Cc3nccn3C3CC3)C2)c1 ZINC000893530829 1120833628 /nfs/dbraw/zinc/83/36/28/1120833628.db2.gz CRZLFUDLUUHSTL-INIZCTEOSA-N 0 1 281.403 3.516 20 0 CHADMN Cc1cccc([C@@H]2CCN(Cc3nccn3C3CC3)C2)c1 ZINC000893530830 1120833707 /nfs/dbraw/zinc/83/37/07/1120833707.db2.gz CRZLFUDLUUHSTL-MRXNPFEDSA-N 0 1 281.403 3.516 20 0 CHADMN C[C@H]1CCC[C@H](C)N(Cc2cccc(Br)n2)C1 ZINC000779437671 1128943526 /nfs/dbraw/zinc/94/35/26/1128943526.db2.gz UHCNIILCGLAOLS-RYUDHWBXSA-N 0 1 297.240 3.855 20 0 CHADMN COc1cncc(CN2CCC[C@@H]2c2ccc(C)s2)c1 ZINC000343884908 1120846640 /nfs/dbraw/zinc/84/66/40/1120846640.db2.gz VWRCIRZACWYBIE-OAHLLOKOSA-N 0 1 288.416 3.797 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2cccc(Cl)n2)C1 ZINC000075739116 1120847391 /nfs/dbraw/zinc/84/73/91/1120847391.db2.gz DZDFNXZWMYCYGW-CYBMUJFWSA-N 0 1 284.856 3.843 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCC[C@H]2c2cccs2)cs1 ZINC000652377094 1120847843 /nfs/dbraw/zinc/84/78/43/1120847843.db2.gz WZZJPSJKFWKFKG-NSHDSACASA-N 0 1 293.413 3.845 20 0 CHADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000652390708 1120851605 /nfs/dbraw/zinc/85/16/05/1120851605.db2.gz AVZOLGABZXYXLE-SJLPKXTDSA-N 0 1 295.382 3.610 20 0 CHADMN C[C@@H]1COC2(CCCC2)CN1CCCCC(F)(F)F ZINC000661982170 1120852008 /nfs/dbraw/zinc/85/20/08/1120852008.db2.gz WARDPZNJCINEND-GFCCVEGCSA-N 0 1 279.346 3.753 20 0 CHADMN O=C([O-])C1(C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)CC1 ZINC000652409922 1120857805 /nfs/dbraw/zinc/85/78/05/1120857805.db2.gz BDZVUKBPYBCXMF-MRXNPFEDSA-N 0 1 298.386 3.560 20 0 CHADMN C[C@@]1(c2ccccc2)CCC[N@@H+](CCCCCC(=O)[O-])C1 ZINC000652414685 1120858909 /nfs/dbraw/zinc/85/89/09/1120858909.db2.gz ODCVTTIYIBDREE-GOSISDBHSA-N 0 1 289.419 3.685 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCCC[C@@H]2C2CCC2)cs1 ZINC000652415344 1120859341 /nfs/dbraw/zinc/85/93/41/1120859341.db2.gz LEDINXQJHKDJEZ-CYBMUJFWSA-N 0 1 279.405 3.601 20 0 CHADMN O=C([O-])c1ccccc1CC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000652415419 1120859481 /nfs/dbraw/zinc/85/94/81/1120859481.db2.gz QDMWUBWDIGFGRO-KRWDZBQOSA-N 0 1 287.403 3.582 20 0 CHADMN C[C@@H](NCc1ccccc1C1CC1)c1ccccn1 ZINC000094357525 1120862224 /nfs/dbraw/zinc/86/22/24/1120862224.db2.gz CBBROXMMLRGKHJ-CYBMUJFWSA-N 0 1 252.361 3.810 20 0 CHADMN C[C@@H]1CC[N@@H+](CCCCCC(=O)[O-])[C@@H](c2ccco2)C1 ZINC000652432549 1120862372 /nfs/dbraw/zinc/86/23/72/1120862372.db2.gz NUXATPVGTSKQMH-ZIAGYGMSSA-N 0 1 279.380 3.698 20 0 CHADMN Clc1ccc(CN2CCC(c3ccon3)CC2)cc1 ZINC000662043290 1120863500 /nfs/dbraw/zinc/86/35/00/1120863500.db2.gz JOXAOFXLGRZABE-UHFFFAOYSA-N 0 1 276.767 3.708 20 0 CHADMN CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000652450951 1120866047 /nfs/dbraw/zinc/86/60/47/1120866047.db2.gz MDVWEIZBMMDLGJ-DOMZBBRYSA-N 0 1 291.391 3.626 20 0 CHADMN Cc1cccc2nc(-c3cnn(Cc4ccccc4)c3)[nH]c21 ZINC000662066716 1120868451 /nfs/dbraw/zinc/86/84/51/1120868451.db2.gz APHQOEDLPISHIV-UHFFFAOYSA-N 0 1 288.354 3.783 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1oc2c(cccc2C)c1C ZINC000652510933 1120874318 /nfs/dbraw/zinc/87/43/18/1120874318.db2.gz MOIYTOXSZRUBHG-AWEZNQCLSA-N 0 1 289.375 3.735 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CCSC[C@H](C)C1 ZINC000249028608 1120879854 /nfs/dbraw/zinc/87/98/54/1120879854.db2.gz LSWIXIOPAMNFRJ-VXGBXAGGSA-N 0 1 282.453 3.718 20 0 CHADMN COc1c(F)cccc1CN1CC[C@@H](C)C(F)(F)CC1 ZINC001143521984 1120880546 /nfs/dbraw/zinc/88/05/46/1120880546.db2.gz NMEOEIGEOGGXEI-LLVKDONJSA-N 0 1 287.325 3.702 20 0 CHADMN Cc1c(Cl)cccc1-c1ccc([C@H]2COCCN2)cc1 ZINC000630060923 1128947096 /nfs/dbraw/zinc/94/70/96/1128947096.db2.gz SQAJOURHZYUQCZ-QGZVFWFLSA-N 0 1 287.790 3.976 20 0 CHADMN CC(C)n1ccc(CN(C)C[C@H]2CCc3ccccc32)n1 ZINC000662198734 1120896188 /nfs/dbraw/zinc/89/61/88/1120896188.db2.gz KOKBLMIIINSCNZ-MRXNPFEDSA-N 0 1 283.419 3.626 20 0 CHADMN CC(=O)c1cc(CN2CCC[C@@H](C3CCCCC3)C2)on1 ZINC000662200887 1120897519 /nfs/dbraw/zinc/89/75/19/1120897519.db2.gz IKEJAHIGKNASCR-OAHLLOKOSA-N 0 1 290.407 3.670 20 0 CHADMN CC1(C)CCCC[C@@H]1C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000662202905 1120898163 /nfs/dbraw/zinc/89/81/63/1120898163.db2.gz AHEULQRCDKSJQJ-JJXSEGSLSA-N 0 1 293.451 3.921 20 0 CHADMN CC[C@H]1CCC[C@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000388627172 1120899634 /nfs/dbraw/zinc/89/96/34/1120899634.db2.gz HNJDRHOZBLBHLX-CMPLNLGQSA-N 0 1 253.773 3.714 20 0 CHADMN CC(C)C[C@H](N)c1noc(C2CCC(C3CC3)CC2)n1 ZINC000663251702 1120900442 /nfs/dbraw/zinc/90/04/42/1120900442.db2.gz UDTKXNZYGCKCHZ-RUXDESIVSA-N 0 1 277.412 3.799 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)CN(CCc1cncs1)CC3 ZINC000663252639 1120901516 /nfs/dbraw/zinc/90/15/16/1120901516.db2.gz DQLAVKOBSKWSNU-UHFFFAOYSA-N 0 1 297.427 3.534 20 0 CHADMN c1[nH]nc2cc(NCc3ccccc3OCC3CC3)ccc12 ZINC000630069732 1128947852 /nfs/dbraw/zinc/94/78/52/1128947852.db2.gz WAAAONGGRPXOFE-UHFFFAOYSA-N 0 1 293.370 3.964 20 0 CHADMN CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C(=O)[O-])sc2C)C1 ZINC000302609839 1120902997 /nfs/dbraw/zinc/90/29/97/1120902997.db2.gz XVTVBFXJORHYJW-ZYHUDNBSSA-N 0 1 281.421 3.765 20 0 CHADMN COC[C@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 ZINC000093338099 1128948441 /nfs/dbraw/zinc/94/84/41/1128948441.db2.gz FOBQHXDGCLPLKQ-NSHDSACASA-N 0 1 288.218 3.852 20 0 CHADMN COc1cc(C)c(CNc2ccc3c[nH]nc3c2)cc1OC ZINC000630069688 1128948825 /nfs/dbraw/zinc/94/88/25/1128948825.db2.gz QEEAGFLABSUXEA-UHFFFAOYSA-N 0 1 297.358 3.501 20 0 CHADMN C[N@@H+](CC1=CCSC1)Cc1cccc2c1OC(C)(C)C2 ZINC000662264443 1120913963 /nfs/dbraw/zinc/91/39/63/1120913963.db2.gz RSSPRJRKAVQPGZ-UHFFFAOYSA-N 0 1 289.444 3.505 20 0 CHADMN CN(CC1=CCSC1)Cc1cccc2c1OC(C)(C)C2 ZINC000662264443 1120913966 /nfs/dbraw/zinc/91/39/66/1120913966.db2.gz RSSPRJRKAVQPGZ-UHFFFAOYSA-N 0 1 289.444 3.505 20 0 CHADMN Cc1cnc(C[N@H+]2CCCC[C@@H]2c2ccccc2)cn1 ZINC000336474540 1120917935 /nfs/dbraw/zinc/91/79/35/1120917935.db2.gz NDWQQGYMKFMWJW-QGZVFWFLSA-N 0 1 267.376 3.512 20 0 CHADMN Cc1cnc(CN2CCCC[C@@H]2c2ccccc2)cn1 ZINC000336474540 1120917938 /nfs/dbraw/zinc/91/79/38/1120917938.db2.gz NDWQQGYMKFMWJW-QGZVFWFLSA-N 0 1 267.376 3.512 20 0 CHADMN CS[C@H](CNCc1nc2cc(F)ccc2o1)C(C)(C)C ZINC000602014806 1120917991 /nfs/dbraw/zinc/91/79/91/1120917991.db2.gz GSEKRRUCNVLFAY-CYBMUJFWSA-N 0 1 296.411 3.834 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000062015260 1120919714 /nfs/dbraw/zinc/91/97/14/1120919714.db2.gz XQEILTOTVIEDCR-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000062015105 1120920092 /nfs/dbraw/zinc/92/00/92/1120920092.db2.gz OFZPKTYHGWMEIH-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN(CCOCC(F)F)C2CC2)o1 ZINC000188565846 1120923122 /nfs/dbraw/zinc/92/31/22/1120923122.db2.gz FJAVUEJQPNTVIC-FZMZJTMJSA-N 0 1 299.361 3.649 20 0 CHADMN C[N@H+](Cc1c(Cl)cccc1C(=O)[O-])C[C@@H]1CC1(C)C ZINC000663316847 1120923216 /nfs/dbraw/zinc/92/32/16/1120923216.db2.gz IFBUMKQWGXIMSX-JTQLQIEISA-N 0 1 281.783 3.516 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN(CCOCC(F)F)C2CC2)o1 ZINC000188565867 1120923514 /nfs/dbraw/zinc/92/35/14/1120923514.db2.gz FJAVUEJQPNTVIC-BXUZGUMPSA-N 0 1 299.361 3.649 20 0 CHADMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000062876886 1120925054 /nfs/dbraw/zinc/92/50/54/1120925054.db2.gz GFTCOVDQDMUBAQ-SFHVURJKSA-N 0 1 283.371 3.527 20 0 CHADMN CC(C)(C)c1ccc(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC000062875762 1120925179 /nfs/dbraw/zinc/92/51/79/1120925179.db2.gz PITDFTQSLMRTKM-SFHVURJKSA-N 0 1 289.419 3.671 20 0 CHADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000062876887 1120925440 /nfs/dbraw/zinc/92/54/40/1120925440.db2.gz GFTCOVDQDMUBAQ-GOSISDBHSA-N 0 1 283.371 3.527 20 0 CHADMN c1c(CN2CC3CC2(c2ccccc2)C3)onc1C1CC1 ZINC000662331665 1120926910 /nfs/dbraw/zinc/92/69/10/1120926910.db2.gz IXDMUQNMUCSCPP-UHFFFAOYSA-N 0 1 280.371 3.673 20 0 CHADMN CC(C)n1nccc1CN[C@@]1(c2ccccc2)CC1(C)C ZINC000662340401 1120928040 /nfs/dbraw/zinc/92/80/40/1120928040.db2.gz JJPFNQQLUDLKNS-GOSISDBHSA-N 0 1 283.419 3.879 20 0 CHADMN Oc1cccc2c1CCC[C@H]2NCc1ccc(Cl)nc1 ZINC000191662076 1128949906 /nfs/dbraw/zinc/94/99/06/1128949906.db2.gz REIXJHZZYTWGSH-CQSZACIVSA-N 0 1 288.778 3.608 20 0 CHADMN C[C@@H](c1nc(Cc2ccccc2)no1)N(C)C[C@H]1CC1(C)C ZINC000662344753 1120928971 /nfs/dbraw/zinc/92/89/71/1120928971.db2.gz DQJSVOYDLYEMOR-DZGCQCFKSA-N 0 1 299.418 3.699 20 0 CHADMN CN(Cc1csc(-c2ccccn2)n1)C[C@@H]1CC1(C)C ZINC000662347541 1120930002 /nfs/dbraw/zinc/93/00/02/1120930002.db2.gz LVQDOZKZLGTQBJ-LBPRGKRZSA-N 0 1 287.432 3.683 20 0 CHADMN CC(C)OCCCN1CC=C(c2c(F)cccc2F)CC1 ZINC000473177063 1120930669 /nfs/dbraw/zinc/93/06/69/1120930669.db2.gz MICWFOJNKSCFPS-UHFFFAOYSA-N 0 1 295.373 3.869 20 0 CHADMN C[C@@H](c1ncc(-c2ccccc2)o1)N1CC2CC1(C)C2 ZINC000662384453 1120932744 /nfs/dbraw/zinc/93/27/44/1120932744.db2.gz XROZZGUBQFKBNZ-POZPTJLLSA-N 0 1 268.360 3.887 20 0 CHADMN CC12CC(C1)CN2Cc1nc(-c2ccccc2)cs1 ZINC000662385501 1120933199 /nfs/dbraw/zinc/93/31/99/1120933199.db2.gz UTSHUKCRZJOTCP-UHFFFAOYSA-N 0 1 270.401 3.794 20 0 CHADMN CCOc1ccc(CN2C[C@H](C)C[C@@H]2c2cccnc2)o1 ZINC000893570816 1120934268 /nfs/dbraw/zinc/93/42/68/1120934268.db2.gz JBJRRFUIJDUSNV-CZUORRHYSA-N 0 1 286.375 3.656 20 0 CHADMN C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cccc3c2OCC3)C1 ZINC000893572780 1120936781 /nfs/dbraw/zinc/93/67/81/1120936781.db2.gz TYSFTGPRTNHFTG-KBXCAEBGSA-N 0 1 294.398 3.600 20 0 CHADMN C[C@@H]1C[C@@H](c2cccnc2)N(Cc2cnn(C3CCC3)c2)C1 ZINC000893572539 1120936929 /nfs/dbraw/zinc/93/69/29/1120936929.db2.gz RWYIFTGXFJJBOF-KDOFPFPSSA-N 0 1 296.418 3.586 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2cn(C3CC3)cn2)c1 ZINC001204658365 1120939471 /nfs/dbraw/zinc/93/94/71/1120939471.db2.gz TVXUWCZNCPTBNE-SFHVURJKSA-N 0 1 281.403 3.864 20 0 CHADMN Cc1cc(F)ccc1CNCc1cnccc1C(F)(F)F ZINC000663352979 1120943516 /nfs/dbraw/zinc/94/35/16/1120943516.db2.gz XTAQVMDMBFCHMH-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN c1c2ccccc2oc1CN1CCN(c2ccccc2)CC1 ZINC000196155912 1120946661 /nfs/dbraw/zinc/94/66/61/1120946661.db2.gz BMIRBYBDEZDBAD-UHFFFAOYSA-N 0 1 292.382 3.755 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H](C)C2CCCC2)c1 ZINC000643305150 1120948760 /nfs/dbraw/zinc/94/87/60/1120948760.db2.gz NIYPZCFUEHCQLU-NSHDSACASA-N 0 1 289.375 3.750 20 0 CHADMN CCc1noc(CN(C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)n1 ZINC000075886646 1120956881 /nfs/dbraw/zinc/95/68/81/1120956881.db2.gz NNNORHJQCGDAQM-CVEARBPZSA-N 0 1 299.418 3.709 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C3CCC3)cc2)C[C@H](C)O1 ZINC000350122235 1120961876 /nfs/dbraw/zinc/96/18/76/1120961876.db2.gz MAJJHRXULIUQSG-OKILXGFUSA-N 0 1 259.393 3.563 20 0 CHADMN COCc1cccc(CN[C@H](C)c2cccc(F)c2F)c1 ZINC000121879529 1120965699 /nfs/dbraw/zinc/96/56/99/1120965699.db2.gz TUJHHUQEFJNZDU-GFCCVEGCSA-N 0 1 291.341 3.962 20 0 CHADMN CC(C)C[C@@H]1CCCCCN1C(=O)c1cccc(F)c1O ZINC001126277551 1120967056 /nfs/dbraw/zinc/96/70/56/1120967056.db2.gz IDJQEHZOUPSWBW-ZDUSSCGKSA-N 0 1 293.382 3.962 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2cc(Cl)ccc2F)C1 ZINC000093419337 1128954064 /nfs/dbraw/zinc/95/40/64/1128954064.db2.gz PWXBSXVCJFTTQU-GFCCVEGCSA-N 0 1 285.790 3.728 20 0 CHADMN Cc1ccnc(NC[C@H](c2ccccc2)C2CC2)c1 ZINC000630343510 1128953544 /nfs/dbraw/zinc/95/35/44/1128953544.db2.gz PZXLHBMJPMNBSF-MRXNPFEDSA-N 0 1 252.361 3.996 20 0 CHADMN CCn1nccc1CN[C@@H](C)c1sc(C(C)C)nc1C ZINC000663467461 1120981801 /nfs/dbraw/zinc/98/18/01/1120981801.db2.gz JDKSDUPNJKOFJK-NSHDSACASA-N 0 1 292.452 3.642 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@]1(C)CC=C(C)CC1 ZINC000613917998 1120991437 /nfs/dbraw/zinc/99/14/37/1120991437.db2.gz KMOOQMZAQXHRQK-KRWDZBQOSA-N 0 1 283.375 3.946 20 0 CHADMN Cc1cccc([C@@H](C)NC(=O)c2n[nH]c3ccccc32)c1C ZINC000303605960 1120995463 /nfs/dbraw/zinc/99/54/63/1120995463.db2.gz BBXWVQFVRDLUHO-CYBMUJFWSA-N 0 1 293.370 3.671 20 0 CHADMN Cc1cc(CNCc2ccc(C)c(C)n2)c(C)s1 ZINC000314820002 1121007753 /nfs/dbraw/zinc/00/77/53/1121007753.db2.gz QRFZSILWGOUIHE-UHFFFAOYSA-N 0 1 260.406 3.667 20 0 CHADMN CCCN(CCc1cccs1)Cc1nccn1C1CC1 ZINC000893626708 1121009736 /nfs/dbraw/zinc/00/97/36/1121009736.db2.gz UUEYNYJVPQONRW-UHFFFAOYSA-N 0 1 289.448 3.734 20 0 CHADMN Cc1cccc(C)c1C[N@@H+](C)CCc1ccccc1C(=O)[O-] ZINC000317513140 1121012070 /nfs/dbraw/zinc/01/20/70/1121012070.db2.gz QMMBKGMLLZHSMP-UHFFFAOYSA-N 0 1 297.398 3.676 20 0 CHADMN CCCC[C@@H](CC)CNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000512027715 1121016283 /nfs/dbraw/zinc/01/62/83/1121016283.db2.gz WEDBLFLPVMFKJE-LLVKDONJSA-N 0 1 291.370 3.648 20 0 CHADMN CC(C)(C)c1nc(Nc2cncc(C(F)(F)F)c2)no1 ZINC001174740794 1121018929 /nfs/dbraw/zinc/01/89/29/1121018929.db2.gz QUSKRGICCJUBKX-UHFFFAOYSA-N 0 1 286.257 3.525 20 0 CHADMN COc1ccc2c(c1)CN(Cc1ccc(OC)c(C)c1)CC2 ZINC000512031607 1121023248 /nfs/dbraw/zinc/02/32/48/1121023248.db2.gz QQOAWKGOOIIIFT-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN FC(F)(F)C[C@@H]1CN(CC2CCCCCC2)CCO1 ZINC001174770840 1121025390 /nfs/dbraw/zinc/02/53/90/1121025390.db2.gz IOTXSJYGTSQMBJ-CYBMUJFWSA-N 0 1 279.346 3.610 20 0 CHADMN CCN(Cc1csc(C2CCCC2)n1)C[C@@H]1CCOC1 ZINC000058396357 1121028368 /nfs/dbraw/zinc/02/83/68/1121028368.db2.gz WXLBOEISNJGLOP-ZDUSSCGKSA-N 0 1 294.464 3.659 20 0 CHADMN CCc1ccc([C@H](C)NCc2nn(C)c3ccccc23)cc1 ZINC000316559211 1121030111 /nfs/dbraw/zinc/03/01/11/1121030111.db2.gz FFFDSSBCEYAQFR-AWEZNQCLSA-N 0 1 293.414 3.987 20 0 CHADMN CN(C)c1cccc(CN2CC[C@H]2c2cccc(F)c2)c1 ZINC000674009963 1121036375 /nfs/dbraw/zinc/03/63/75/1121036375.db2.gz NUFNJVJOONXGMZ-SFHVURJKSA-N 0 1 284.378 3.839 20 0 CHADMN CC(C)(C)[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2O)C1 ZINC001626093211 1121041874 /nfs/dbraw/zinc/04/18/74/1121041874.db2.gz SZYKELZPGSJJPU-JTQLQIEISA-N 0 1 297.345 3.569 20 0 CHADMN Cc1ccc(CN2CC3CC2(C)C3)cc1Br ZINC001174799089 1121053270 /nfs/dbraw/zinc/05/32/70/1121053270.db2.gz RILVFCXCCJRZTD-UHFFFAOYSA-N 0 1 280.209 3.742 20 0 CHADMN C[C@@H](c1ccc(Br)cc1)N1CC2CC1(C)C2 ZINC001174800546 1121053749 /nfs/dbraw/zinc/05/37/49/1121053749.db2.gz ZWOHNOIJQADNHP-IFQILLTASA-N 0 1 280.209 3.994 20 0 CHADMN COc1cncc(CN(Cc2ccc(C)cc2)C(C)(C)C)n1 ZINC000625696532 1121057997 /nfs/dbraw/zinc/05/79/97/1121057997.db2.gz DIHWRHCPHBKRLD-UHFFFAOYSA-N 0 1 299.418 3.594 20 0 CHADMN CC[C@H](CC1CCCC1)C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC001127683928 1128959816 /nfs/dbraw/zinc/95/98/16/1128959816.db2.gz PDCAPCDMEPKUER-ZMSDIMECSA-N 0 1 294.483 3.534 20 0 CHADMN O[C@@H](CN1CCCC2(CC2)C1)c1ccccc1C(F)(F)F ZINC000187010039 1121064952 /nfs/dbraw/zinc/06/49/52/1121064952.db2.gz JRHQISPWSHMTRI-AWEZNQCLSA-N 0 1 299.336 3.615 20 0 CHADMN CC[C@H](CN(C)Cc1cscn1)c1ccccc1 ZINC000512084212 1121067730 /nfs/dbraw/zinc/06/77/30/1121067730.db2.gz VEHGJWBRYQSCBN-CYBMUJFWSA-N 0 1 260.406 3.769 20 0 CHADMN CCCCOCCNC(C)(C)c1nc2ccccc2s1 ZINC000625721184 1121070676 /nfs/dbraw/zinc/07/06/76/1121070676.db2.gz SWXFPISLYVTYSI-UHFFFAOYSA-N 0 1 292.448 3.938 20 0 CHADMN Cc1nc(CN2CCC(Cc3ccccc3)CC2)oc1C ZINC000049982592 1121071036 /nfs/dbraw/zinc/07/10/36/1121071036.db2.gz VEZJWZKAKPPFJQ-UHFFFAOYSA-N 0 1 284.403 3.746 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC[C@H](C3CCCCC3)C2)[nH]1 ZINC001174863155 1121072240 /nfs/dbraw/zinc/07/22/40/1121072240.db2.gz HESXMJPKHMEBAI-HIFRSBDPSA-N 0 1 290.455 3.720 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3sccc31)CO2 ZINC000344092229 1121078052 /nfs/dbraw/zinc/07/80/52/1121078052.db2.gz BBUDHSRUUPCVAM-KGLIPLIRSA-N 0 1 289.375 3.988 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2sccc21)c1ccn(C)n1 ZINC000344097621 1121080141 /nfs/dbraw/zinc/08/01/41/1121080141.db2.gz CFJHZEQOOUSKFZ-OLZOCXBDSA-N 0 1 275.421 3.600 20 0 CHADMN COc1cc(Nc2cccc3ncccc32)ncc1C ZINC001174907637 1121087092 /nfs/dbraw/zinc/08/70/92/1121087092.db2.gz DZYVJVGINSPAMI-UHFFFAOYSA-N 0 1 265.316 3.690 20 0 CHADMN COCC(C)(C)NCc1csc(C2CCCCC2)n1 ZINC000171203609 1121102657 /nfs/dbraw/zinc/10/26/57/1121102657.db2.gz BQUSLHZZNUEIEN-UHFFFAOYSA-N 0 1 282.453 3.705 20 0 CHADMN CC[C@H](NCc1ccc(F)c(C#N)c1)c1ccccc1OC ZINC000318353633 1121102931 /nfs/dbraw/zinc/10/29/31/1121102931.db2.gz DTOZYDXNARYUBK-KRWDZBQOSA-N 0 1 298.361 3.947 20 0 CHADMN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)N(C)C ZINC000674264278 1121110142 /nfs/dbraw/zinc/11/01/42/1121110142.db2.gz TTWWCWKLTCVKQY-ZDUSSCGKSA-N 0 1 276.424 3.822 20 0 CHADMN CCCCN(C(=O)[C@H](C)N(C)C)[C@H](CC)c1ccccc1 ZINC000674289079 1121113267 /nfs/dbraw/zinc/11/32/67/1121113267.db2.gz ZTBQFUYSZOKWAN-DOTOQJQBSA-N 0 1 290.451 3.717 20 0 CHADMN Cc1[nH]c(S[C@@H]2CCCOC2)nc1Cc1ccccc1 ZINC000674304506 1121115472 /nfs/dbraw/zinc/11/54/72/1121115472.db2.gz RVZSEDABNCPSNR-CQSZACIVSA-N 0 1 288.416 3.580 20 0 CHADMN Fc1ccc(Nc2ccncc2)cc1OCc1ccccc1 ZINC001174989639 1121119804 /nfs/dbraw/zinc/11/98/04/1121119804.db2.gz JJYGUMFPNRFLON-UHFFFAOYSA-N 0 1 294.329 3.965 20 0 CHADMN CCCCc1noc(CN2CCCC[C@H]2[C@H](C)CC)n1 ZINC000606434066 1121120732 /nfs/dbraw/zinc/12/07/32/1121120732.db2.gz JGXRUDVETWTFAL-KGLIPLIRSA-N 0 1 279.428 3.813 20 0 CHADMN Cc1nn(-c2ccccc2)c(Cl)c1CN1CC[C@H](C)C1 ZINC000261385728 1121121067 /nfs/dbraw/zinc/12/10/67/1121121067.db2.gz LPKREUWYOIEREJ-LBPRGKRZSA-N 0 1 289.810 3.676 20 0 CHADMN CC[C@H](NCc1ccnc(Cl)c1)c1c(C)noc1C ZINC000182393459 1128963834 /nfs/dbraw/zinc/96/38/34/1128963834.db2.gz RZDCMGYEIUWUIO-LBPRGKRZSA-N 0 1 279.771 3.581 20 0 CHADMN c1cn(Cc2ccccc2)c(CN(C2CC2)C2CCCC2)n1 ZINC000171617052 1121123972 /nfs/dbraw/zinc/12/39/72/1121123972.db2.gz MZDKRITWDDOHID-UHFFFAOYSA-N 0 1 295.430 3.838 20 0 CHADMN CC[C@@]1(C)CCN(Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000344223542 1121125230 /nfs/dbraw/zinc/12/52/30/1121125230.db2.gz SXYXEZHICKZYNC-KRWDZBQOSA-N 0 1 285.391 3.667 20 0 CHADMN C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC2(CCC2)C1 ZINC000344229391 1121126420 /nfs/dbraw/zinc/12/64/20/1121126420.db2.gz GXUMBECDRQCHCY-GFCCVEGCSA-N 0 1 292.810 3.543 20 0 CHADMN Cc1cccc(C(=O)Nc2cccc(Cl)c2O)c1C ZINC000172109880 1121139465 /nfs/dbraw/zinc/13/94/65/1121139465.db2.gz ZLTCBJCOFCQYJP-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN O=C(CCc1ccc(F)cc1)Nc1cccc(Cl)c1O ZINC000172110342 1121140002 /nfs/dbraw/zinc/14/00/02/1121140002.db2.gz LEEMBTXJBLAYLS-UHFFFAOYSA-N 0 1 293.725 3.756 20 0 CHADMN Cc1ccc2nc(CN3C4CCCC3CCC4)cn2c1 ZINC000674494118 1121141041 /nfs/dbraw/zinc/14/10/41/1121141041.db2.gz SARVQNMVKBZSBB-UHFFFAOYSA-N 0 1 269.392 3.550 20 0 CHADMN Oc1ccc2c(c1)CN(CC[C@@H]1CCc3ccccc31)C2 ZINC000625728371 1121145482 /nfs/dbraw/zinc/14/54/82/1121145482.db2.gz LYGZYSDZKLRQRS-HNNXBMFYSA-N 0 1 279.383 3.828 20 0 CHADMN CC(C)N(Cc1c[nH]nn1)Cc1c(Cl)cccc1Cl ZINC001203211555 1121154127 /nfs/dbraw/zinc/15/41/27/1121154127.db2.gz HWUKQNLWMRLFCU-UHFFFAOYSA-N 0 1 299.205 3.522 20 0 CHADMN CCCCCCOc1ccc(-n2cncc2N)c(F)c1F ZINC001175046980 1121158700 /nfs/dbraw/zinc/15/87/00/1121158700.db2.gz BADSXAAIINOULS-UHFFFAOYSA-N 0 1 295.333 3.692 20 0 CHADMN N=CNc1cc(Cl)nc2ccc(C(F)(F)F)cc21 ZINC001167865586 1121168114 /nfs/dbraw/zinc/16/81/14/1121168114.db2.gz XGVVQFFOLOCQDU-UHFFFAOYSA-N 0 1 273.645 3.926 20 0 CHADMN Clc1cccc(Cl)c1CN1CC[C@H]2OCC[C@H]2C1 ZINC001203422751 1121168127 /nfs/dbraw/zinc/16/81/27/1121168127.db2.gz FRBJONNRZHMWIJ-IINYFYTJSA-N 0 1 286.202 3.604 20 0 CHADMN Clc1ccc(CNCc2cnc(-c3ccccc3)[nH]2)o1 ZINC000674718574 1121172869 /nfs/dbraw/zinc/17/28/69/1121172869.db2.gz UPQDEGGOABDDKA-UHFFFAOYSA-N 0 1 287.750 3.613 20 0 CHADMN Fc1ccccc1-c1nc(CN2CC[C@H]3C[C@H]3C2)cs1 ZINC000661971080 1121180202 /nfs/dbraw/zinc/18/02/02/1121180202.db2.gz HIKHRMIQZHTXMO-RYUDHWBXSA-N 0 1 288.391 3.791 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(F)c(F)c2)cn1 ZINC000062050974 1121185540 /nfs/dbraw/zinc/18/55/40/1121185540.db2.gz HZKHUNUFHPGRFH-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN Fc1cc(CN[C@@H]2CCOc3ccccc32)cc(F)c1F ZINC000062706954 1121189731 /nfs/dbraw/zinc/18/97/31/1121189731.db2.gz FGTHSGTWINAWPO-CQSZACIVSA-N 0 1 293.288 3.717 20 0 CHADMN Cc1ccc(CNCc2cn[nH]c2)c(Oc2ccccc2)c1 ZINC000674880944 1121191310 /nfs/dbraw/zinc/19/13/10/1121191310.db2.gz LGMJQZBEIORZQI-UHFFFAOYSA-N 0 1 293.370 3.800 20 0 CHADMN Brc1cscc1CNCC1=CCCC1 ZINC000702332049 1121192072 /nfs/dbraw/zinc/19/20/72/1121192072.db2.gz FMFPKRMRUQKLGL-UHFFFAOYSA-N 0 1 272.211 3.711 20 0 CHADMN Fc1ccccc1[C@@H](NCc1cn[nH]c1)C1CCCC1 ZINC000674882844 1121192207 /nfs/dbraw/zinc/19/22/07/1121192207.db2.gz CPAXXPVDACQVTJ-INIZCTEOSA-N 0 1 273.355 3.570 20 0 CHADMN FC(F)(F)CCNCc1sccc1Br ZINC000063099925 1121198045 /nfs/dbraw/zinc/19/80/45/1121198045.db2.gz QQOWRXWAJHDCLT-UHFFFAOYSA-N 0 1 288.132 3.553 20 0 CHADMN c1ccc([C@@H]2CCN2Cc2cccc3nsnc32)cc1 ZINC000766084362 1121201076 /nfs/dbraw/zinc/20/10/76/1121201076.db2.gz MVWGZPAOBMCVGE-HNNXBMFYSA-N 0 1 281.384 3.638 20 0 CHADMN Cc1cc(C)cc(CN[C@H](C)c2cn3ccccc3n2)c1 ZINC000658177242 1121205683 /nfs/dbraw/zinc/20/56/83/1121205683.db2.gz RIBFHFLABMEEEO-OAHLLOKOSA-N 0 1 279.387 3.802 20 0 CHADMN Fc1ccc(F)c(CNCc2ccc3cnccc3c2)c1 ZINC000236227258 1121214659 /nfs/dbraw/zinc/21/46/59/1121214659.db2.gz UUJDZSVCIBGIGR-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN CCOc1ccc(Nc2cc(OC)c(C)cn2)cc1C ZINC001175171495 1121215573 /nfs/dbraw/zinc/21/55/73/1121215573.db2.gz TUCAUFKHUUGWRY-UHFFFAOYSA-N 0 1 272.348 3.849 20 0 CHADMN Cc1cccc(CN[C@@H]2COc3c2cccc3Cl)c1 ZINC000675102895 1121216445 /nfs/dbraw/zinc/21/64/45/1121216445.db2.gz ADFXVORPVLLLQQ-OAHLLOKOSA-N 0 1 273.763 3.872 20 0 CHADMN Cc1ccsc1CN[C@H]1COc2c1cccc2Cl ZINC000675103021 1121216945 /nfs/dbraw/zinc/21/69/45/1121216945.db2.gz GAIZHNHQYXAVRZ-LBPRGKRZSA-N 0 1 279.792 3.933 20 0 CHADMN C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1cccs1 ZINC000429243080 1121220375 /nfs/dbraw/zinc/22/03/75/1121220375.db2.gz ZHRRPMAJZYGUSX-ZDUSSCGKSA-N 0 1 290.407 3.598 20 0 CHADMN C[C@H]1CN(c2cccc(F)c2)CCN1Cc1cccs1 ZINC000429243080 1121220384 /nfs/dbraw/zinc/22/03/84/1121220384.db2.gz ZHRRPMAJZYGUSX-ZDUSSCGKSA-N 0 1 290.407 3.598 20 0 CHADMN CCCCCNC(=O)CN([C@@H](C)c1ccccc1)C1CC1 ZINC000512243717 1121222645 /nfs/dbraw/zinc/22/26/45/1121222645.db2.gz KOLRZZNZNPUTON-HNNXBMFYSA-N 0 1 288.435 3.518 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1ccc(C)c(F)c1 ZINC000094838289 1121231471 /nfs/dbraw/zinc/23/14/71/1121231471.db2.gz MUAVKDYVLABWQU-SNVBAGLBSA-N 0 1 262.328 3.590 20 0 CHADMN Cc1cccc(CN[C@H](C)c2ccc(C)c(F)c2)n1 ZINC000094837863 1121231777 /nfs/dbraw/zinc/23/17/77/1121231777.db2.gz KKVHXWWEWHQCRJ-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)N(C)Cc1cnn(C)c1 ZINC000079387406 1121240316 /nfs/dbraw/zinc/24/03/16/1121240316.db2.gz SKFMUZAZVLJTJM-CQSZACIVSA-N 0 1 279.387 3.766 20 0 CHADMN Cc1nc2ccccn2c1CN1C2CCCC1CCC2 ZINC000675247771 1121240712 /nfs/dbraw/zinc/24/07/12/1121240712.db2.gz SYQXNJOQZYPLIS-UHFFFAOYSA-N 0 1 269.392 3.550 20 0 CHADMN CCOc1ccc(Nc2ccnn2-c2ccncc2)c(C)c1 ZINC001175243241 1121242983 /nfs/dbraw/zinc/24/29/83/1121242983.db2.gz VOYGYJCUULVTPY-UHFFFAOYSA-N 0 1 294.358 3.718 20 0 CHADMN Cn1cncc1Nc1c(F)cccc1OCc1ccccc1 ZINC001175279359 1121251208 /nfs/dbraw/zinc/25/12/08/1121251208.db2.gz YDVFUTNGCZSOAR-UHFFFAOYSA-N 0 1 297.333 3.882 20 0 CHADMN C[C@@H]1SCCN(Cc2cc(-c3ccccc3)no2)[C@H]1C ZINC000112645069 1121254783 /nfs/dbraw/zinc/25/47/83/1121254783.db2.gz QUKIIUUCZADTMF-STQMWFEESA-N 0 1 288.416 3.667 20 0 CHADMN C[C@@H]1[C@H](C)SCCN1Cc1cc(-c2ccccc2)no1 ZINC000112645067 1121254712 /nfs/dbraw/zinc/25/47/12/1121254712.db2.gz QUKIIUUCZADTMF-OLZOCXBDSA-N 0 1 288.416 3.667 20 0 CHADMN C[C@@H](O)C[C@H]1CCCCN1Cc1nc(C(C)(C)C)cs1 ZINC000123721542 1121271577 /nfs/dbraw/zinc/27/15/77/1121271577.db2.gz NTZYYPVLGADDRT-CHWSQXEVSA-N 0 1 296.480 3.566 20 0 CHADMN CCc1nocc1CN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000512339638 1121275044 /nfs/dbraw/zinc/27/50/44/1121275044.db2.gz XZBXZHLPTGCLDA-SXSDINLZSA-N 0 1 282.387 3.915 20 0 CHADMN c1cc(CN[C@@H](Cc2ccccn2)c2cccnc2)cs1 ZINC000338185676 1121275626 /nfs/dbraw/zinc/27/56/26/1121275626.db2.gz DMULDQVJXGMTIY-KRWDZBQOSA-N 0 1 295.411 3.612 20 0 CHADMN CC(C)[C@H](O)[C@H](N[C@@H](C)c1ccco1)c1ccccc1 ZINC000658289040 1121278075 /nfs/dbraw/zinc/27/80/75/1121278075.db2.gz VUROMOLJVUDNDY-XKQJLSEDSA-N 0 1 273.376 3.688 20 0 CHADMN CN(CCNc1ccnc2cc(F)ccc21)c1ccccc1 ZINC000500465282 1121282834 /nfs/dbraw/zinc/28/28/34/1121282834.db2.gz ISPMKYHJTUDVQG-UHFFFAOYSA-N 0 1 295.361 3.922 20 0 CHADMN Fc1cc(Nc2nonc2C2CC2)c(F)cc1Cl ZINC001213937200 1121283951 /nfs/dbraw/zinc/28/39/51/1121283951.db2.gz FOLUOLMBZWNOOH-UHFFFAOYSA-N 0 1 271.654 3.622 20 0 CHADMN CC(C)c1nc(CN2CCCCC[C@@H]2C[C@@H](C)O)cs1 ZINC000124204695 1121286840 /nfs/dbraw/zinc/28/68/40/1121286840.db2.gz AKLJGBRTWRMJRK-UKRRQHHQSA-N 0 1 296.480 3.782 20 0 CHADMN CC[C@@H]1C[C@@]1(NCc1cnc(C)cn1)c1cccc(C)c1 ZINC000500532882 1121298511 /nfs/dbraw/zinc/29/85/11/1121298511.db2.gz LWNVJUVICXDRHL-QAPCUYQASA-N 0 1 281.403 3.508 20 0 CHADMN CCc1ccc(C)nc1NCc1cccc(NC(C)=O)c1 ZINC000630954638 1128976277 /nfs/dbraw/zinc/97/62/77/1128976277.db2.gz OJFLQTOMDVFVDC-UHFFFAOYSA-N 0 1 283.375 3.523 20 0 CHADMN CCC(CC)(CC)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000675453519 1121304910 /nfs/dbraw/zinc/30/49/10/1121304910.db2.gz UKYDWBJHVLUTON-UHFFFAOYSA-N 0 1 286.379 3.627 20 0 CHADMN OCc1cc(Nc2cccc3ccsc32)ccn1 ZINC001175378211 1121307345 /nfs/dbraw/zinc/30/73/45/1121307345.db2.gz WINMZNCUMDIPEX-UHFFFAOYSA-N 0 1 256.330 3.532 20 0 CHADMN C[C@H](N[C@@H](CCO)c1cccs1)c1cc(F)ccc1F ZINC000766138875 1121307888 /nfs/dbraw/zinc/30/78/88/1121307888.db2.gz ZOQWQLSODJKKKA-HZMBPMFUSA-N 0 1 297.370 3.801 20 0 CHADMN COc1ncc(Nc2ccnc(C(C)(C)C)c2)s1 ZINC001175387688 1121310249 /nfs/dbraw/zinc/31/02/49/1121310249.db2.gz AHZMUUHDVJOXCV-UHFFFAOYSA-N 0 1 263.366 3.588 20 0 CHADMN Cc1cc(C2CC2)cc(F)c1Nc1ccnc(CO)c1 ZINC001213466772 1121312599 /nfs/dbraw/zinc/31/25/99/1121312599.db2.gz BMQBYRGVWYHYFX-UHFFFAOYSA-N 0 1 272.323 3.642 20 0 CHADMN CC(C)[C@@H](NCc1cc(Cl)ccc1F)c1cnn(C)c1 ZINC000922896441 1121319631 /nfs/dbraw/zinc/31/96/31/1121319631.db2.gz VJJQYAILNXBNAQ-OAHLLOKOSA-N 0 1 295.789 3.700 20 0 CHADMN O[C@H]1C[C@H](N[C@@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000658349569 1121319765 /nfs/dbraw/zinc/31/97/65/1121319765.db2.gz KJVSCSZXXLOLGE-ZXFLCMHBSA-N 0 1 292.231 3.545 20 0 CHADMN COc1cc([C@H](C)N[C@H](CC2CC2)c2ccccc2)on1 ZINC000925866877 1121320656 /nfs/dbraw/zinc/32/06/56/1121320656.db2.gz ZXKUVVPQAXOCNG-SWLSCSKDSA-N 0 1 286.375 3.875 20 0 CHADMN FC(F)(F)Cc1ccc(CNCc2ccco2)cc1 ZINC000631031838 1128980197 /nfs/dbraw/zinc/98/01/97/1128980197.db2.gz KOSMUPQALIZTSY-UHFFFAOYSA-N 0 1 269.266 3.674 20 0 CHADMN Fc1cccc(CN2CC[C@H]3CSC[C@@H]3C2)c1Cl ZINC001175444657 1121327354 /nfs/dbraw/zinc/32/73/54/1121327354.db2.gz MEBAGVFECDZRFS-RYUDHWBXSA-N 0 1 285.815 3.664 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2NCCC2CC2)C[C@@H](C)O1 ZINC000438292378 1121329594 /nfs/dbraw/zinc/32/95/94/1121329594.db2.gz ICPOGQGODFNESY-HUUCEWRRSA-N 0 1 288.435 3.508 20 0 CHADMN Cc1ncc(CNCc2ccc3nc(C)ccc3c2)s1 ZINC000097861520 1121330786 /nfs/dbraw/zinc/33/07/86/1121330786.db2.gz ZVZHERVROHACNX-UHFFFAOYSA-N 0 1 283.400 3.598 20 0 CHADMN Cc1cc2c(ccc(N)c2F)n1-c1ccc2n[nH]cc2c1C ZINC001175468429 1121332874 /nfs/dbraw/zinc/33/28/74/1121332874.db2.gz STMGGNZRSBSGIC-UHFFFAOYSA-N 0 1 294.333 3.845 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2c2ccc(O)cc2)sc1C ZINC000675644299 1121332876 /nfs/dbraw/zinc/33/28/76/1121332876.db2.gz QGFPNOMUPGTZRP-OAHLLOKOSA-N 0 1 288.416 3.803 20 0 CHADMN CCn1nccc1CN[C@H](C)c1cc2ccccc2o1 ZINC000125123974 1121339037 /nfs/dbraw/zinc/33/90/37/1121339037.db2.gz DTMQYFOYWQHELM-GFCCVEGCSA-N 0 1 269.348 3.500 20 0 CHADMN Fc1cccc(-c2cc(Nc3cncs3)on2)c1 ZINC001175496629 1121344696 /nfs/dbraw/zinc/34/46/96/1121344696.db2.gz FRDCWDRGSLGDSF-UHFFFAOYSA-N 0 1 261.281 3.681 20 0 CHADMN CCn1nccc1CN[C@H](C)c1cccc(OC(C)C)c1 ZINC000125205722 1121346475 /nfs/dbraw/zinc/34/64/75/1121346475.db2.gz RIVJCBWMOJPUES-CQSZACIVSA-N 0 1 287.407 3.541 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1CCSc1ccc(Cl)cc1 ZINC000675722257 1121348659 /nfs/dbraw/zinc/34/86/59/1121348659.db2.gz IOLIPTUTYCAIHM-GXTWGEPZSA-N 0 1 299.867 3.931 20 0 CHADMN C[C@H]1CC2(CCC2)CN1Cc1cnc2ccc(Cl)cn12 ZINC000432787315 1121353954 /nfs/dbraw/zinc/35/39/54/1121353954.db2.gz GDQCUAWYFMXZPF-LBPRGKRZSA-N 0 1 289.810 3.752 20 0 CHADMN CCCCC[C@H](C)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000236637984 1121361723 /nfs/dbraw/zinc/36/17/23/1121361723.db2.gz ZJLVULPGZDHXRR-NWDGAFQWSA-N 0 1 267.417 3.987 20 0 CHADMN CCn1cc([C@@H](C)N[C@H]2CSCc3ccccc32)cn1 ZINC000675782159 1121362101 /nfs/dbraw/zinc/36/21/01/1121362101.db2.gz CBYZAJVZSOJFMG-WBMJQRKESA-N 0 1 287.432 3.542 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(C(F)F)nc1 ZINC001175523869 1121362766 /nfs/dbraw/zinc/36/27/66/1121362766.db2.gz OZBRAPJIGCHLRW-UHFFFAOYSA-N 0 1 274.274 3.948 20 0 CHADMN COc1cc(Nc2c3cn[nH]c3ccc2C)cc(Cl)n1 ZINC001175524208 1121363945 /nfs/dbraw/zinc/36/39/45/1121363945.db2.gz QIDYXQBIRRCVMX-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@H]1CCc2c1cccc2C ZINC000675808151 1121364067 /nfs/dbraw/zinc/36/40/67/1121364067.db2.gz KSEWMPFESBGXJB-SFHVURJKSA-N 0 1 296.414 3.793 20 0 CHADMN COc1cccc(C)c1Nc1c2cn[nH]c2ccc1C ZINC001175525391 1121364626 /nfs/dbraw/zinc/36/46/26/1121364626.db2.gz DRZSLJJKLVDMNT-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN COc1cc(Nc2c3cn[nH]c3ccc2C)ccc1C ZINC001175525806 1121365636 /nfs/dbraw/zinc/36/56/36/1121365636.db2.gz GEJBYZQESDICNU-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccccc1N(C)C ZINC001175525372 1121365865 /nfs/dbraw/zinc/36/58/65/1121365865.db2.gz CUDZOKVHQNPQKT-UHFFFAOYSA-N 0 1 266.348 3.681 20 0 CHADMN COC(=O)c1cc(Nc2c3cn[nH]c3ccc2C)ccc1C ZINC001175525440 1121366028 /nfs/dbraw/zinc/36/60/28/1121366028.db2.gz CAVSFYRCSYXXSD-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1cc(C)c(Nc2c3cn[nH]c3ccc2C)cn1 ZINC001175524829 1121366551 /nfs/dbraw/zinc/36/65/51/1121366551.db2.gz YHSXAUFMQZLBEE-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1c(C)ccnc1Cl ZINC001175525515 1121366870 /nfs/dbraw/zinc/36/68/70/1121366870.db2.gz LCJKZBALEBCFPW-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(O)c(F)c1F ZINC001175526662 1121367731 /nfs/dbraw/zinc/36/77/31/1121367731.db2.gz YEXDJUZDKZSQOP-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(C2(C)COC2)cc1 ZINC001175527075 1121368531 /nfs/dbraw/zinc/36/85/31/1121368531.db2.gz DMAPHNBHPWNLFI-UHFFFAOYSA-N 0 1 293.370 3.903 20 0 CHADMN COCc1cccc(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175526955 1121369141 /nfs/dbraw/zinc/36/91/41/1121369141.db2.gz DFTPKAQGXLWURD-UHFFFAOYSA-N 0 1 267.332 3.761 20 0 CHADMN c1cc(CNCc2cc3ccccc3o2)n(CC2CCC2)n1 ZINC000631042330 1128981009 /nfs/dbraw/zinc/98/10/09/1128981009.db2.gz IOZNKIPVRJBSHT-UHFFFAOYSA-N 0 1 295.386 3.719 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2nn(C)cc2c1 ZINC001175526295 1121369563 /nfs/dbraw/zinc/36/95/63/1121369563.db2.gz RXTWBENPDCBORA-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2c1OCCC2 ZINC001175527413 1121369910 /nfs/dbraw/zinc/36/99/10/1121369910.db2.gz MDACRGITPBPWBW-UHFFFAOYSA-N 0 1 279.343 3.940 20 0 CHADMN COCOc1cccc(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175527838 1121370137 /nfs/dbraw/zinc/37/01/37/1121370137.db2.gz YFJNUGWGPOCCCB-UHFFFAOYSA-N 0 1 283.331 3.598 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2c1CCCO2 ZINC001175527355 1121370762 /nfs/dbraw/zinc/37/07/62/1121370762.db2.gz JKWAVXMDZBKHJT-UHFFFAOYSA-N 0 1 279.343 3.940 20 0 CHADMN COc1cc(Nc2c3cn[nH]c3ccc2C)cc(F)c1F ZINC001175527272 1121371769 /nfs/dbraw/zinc/37/17/69/1121371769.db2.gz FWWSIHLMNJVMSS-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN CCSc1ccccc1[C@@H](C)NCc1cc(C)n[nH]1 ZINC000675893751 1121376956 /nfs/dbraw/zinc/37/69/56/1121376956.db2.gz UKBLTXDRZUMTRR-GFCCVEGCSA-N 0 1 275.421 3.681 20 0 CHADMN CCSc1ccccc1[C@@H](C)NCc1cc(C)[nH]n1 ZINC000675893751 1121376965 /nfs/dbraw/zinc/37/69/65/1121376965.db2.gz UKBLTXDRZUMTRR-GFCCVEGCSA-N 0 1 275.421 3.681 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@@H]1CCc2ccc(Cl)nc21 ZINC000857911095 1121378735 /nfs/dbraw/zinc/37/87/35/1121378735.db2.gz WRGRQCIICDLIHY-VXNVDRBHSA-N 0 1 278.705 3.653 20 0 CHADMN Cc1cc(CN[C@@H]2CCCOc3c(F)cccc32)sn1 ZINC000638916506 1121381312 /nfs/dbraw/zinc/38/13/12/1121381312.db2.gz JWZUEPJRLZYXKY-CQSZACIVSA-N 0 1 292.379 3.594 20 0 CHADMN COc1nc(C)cc(C)c1CNCc1csc(C)c1C ZINC000631062414 1128981816 /nfs/dbraw/zinc/98/18/16/1128981816.db2.gz VHBGZTWGIBAARJ-UHFFFAOYSA-N 0 1 290.432 3.675 20 0 CHADMN C[C@H](N[C@@H](Cc1nccn1C)c1ccccc1)c1ccco1 ZINC000675920312 1121384384 /nfs/dbraw/zinc/38/43/84/1121384384.db2.gz JZFIKXROHMYBPW-HOCLYGCPSA-N 0 1 295.386 3.648 20 0 CHADMN CC(C)(C)OC1CC(N[C@@H](CF)c2ccc(F)cc2)C1 ZINC001175560596 1121386572 /nfs/dbraw/zinc/38/65/72/1121386572.db2.gz MSXZFIFVKYNYDB-NRXISQOPSA-N 0 1 283.362 3.772 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2NCc1ccc(C(F)F)nc1 ZINC000631054817 1128982238 /nfs/dbraw/zinc/98/22/38/1128982238.db2.gz WKUOMLRUKTZTNI-AWEZNQCLSA-N 0 1 292.304 3.935 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1Cc1nnc(C(C)(C)C)[nH]1 ZINC000432824117 1121392585 /nfs/dbraw/zinc/39/25/85/1121392585.db2.gz SAPZGUUBJXUXBE-OLZOCXBDSA-N 0 1 278.444 3.503 20 0 CHADMN CN1CCC=C(Nc2ccc(Oc3ccccc3)nc2)C1 ZINC001175575141 1121393254 /nfs/dbraw/zinc/39/32/54/1121393254.db2.gz MANMAUWBKQTTRP-UHFFFAOYSA-N 0 1 281.359 3.505 20 0 CHADMN COc1ccc(C(C)(C)C)cc1NC1=CCCN(C)C1 ZINC001175576798 1121394547 /nfs/dbraw/zinc/39/45/47/1121394547.db2.gz UCXKHSWJRONNOU-UHFFFAOYSA-N 0 1 274.408 3.624 20 0 CHADMN Cc1cc(Br)cc(C)c1NC1=CCCN(C)C1 ZINC001175576459 1121394752 /nfs/dbraw/zinc/39/47/52/1121394752.db2.gz KXUSJBJYBDSNLD-UHFFFAOYSA-N 0 1 295.224 3.697 20 0 CHADMN CN(CCOC(C)(C)C)c1ccnc2cc(F)ccc21 ZINC000676029919 1121396948 /nfs/dbraw/zinc/39/69/48/1121396948.db2.gz AOHRLLPJBUYJPN-UHFFFAOYSA-N 0 1 276.355 3.625 20 0 CHADMN CCc1noc(CN2CCC[C@H]2CCC2CCCC2)n1 ZINC000676041938 1121400541 /nfs/dbraw/zinc/40/05/41/1121400541.db2.gz QFXFHXUXIUACJZ-AWEZNQCLSA-N 0 1 277.412 3.567 20 0 CHADMN CCc1cnc(CN2CCC[C@@H](C3CCC3)CC2)o1 ZINC001175612122 1121411079 /nfs/dbraw/zinc/41/10/79/1121411079.db2.gz QNOYHGWOTXEQNV-CQSZACIVSA-N 0 1 262.397 3.639 20 0 CHADMN CCCN(C/C(Cl)=C/Cl)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000763559903 1128983779 /nfs/dbraw/zinc/98/37/79/1128983779.db2.gz IDRZWZBZSDKQAD-ZTUIHPJCSA-N 0 1 292.250 3.831 20 0 CHADMN COc1cncc(C[N@H+]2CCc3ccccc3[C@H]2C(C)C)c1 ZINC000676244687 1121415359 /nfs/dbraw/zinc/41/53/59/1121415359.db2.gz TYPBCRKXZZJYFK-LJQANCHMSA-N 0 1 296.414 3.846 20 0 CHADMN CC(C)c1ccc(C[N@@H+](C)CCC(=O)[O-])c(C(C)C)c1 ZINC000676231448 1121416245 /nfs/dbraw/zinc/41/62/45/1121416245.db2.gz HIPVUSRQPZFRBW-UHFFFAOYSA-N 0 1 277.408 3.840 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc(-n4ccnc4)c3)cc12 ZINC001175699157 1121416300 /nfs/dbraw/zinc/41/63/00/1121416300.db2.gz JWROBGQLPAWTAC-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cnccc3OC(F)F)cc12 ZINC001175698887 1121416594 /nfs/dbraw/zinc/41/65/94/1121416594.db2.gz JAWFCYQHNMYFPQ-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cnccc3Cl)cc12 ZINC001175695702 1121416703 /nfs/dbraw/zinc/41/67/03/1121416703.db2.gz MLMZRHJIBFPILF-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN COc1c(F)ccc(Nc2ccc3n[nH]c(C)c3c2)c1F ZINC001175699673 1121418168 /nfs/dbraw/zinc/41/81/68/1121418168.db2.gz ALMPJEPBMMUAIU-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(C)ccc3O)cc12 ZINC001175700767 1121419130 /nfs/dbraw/zinc/41/91/30/1121419130.db2.gz WSEFPXSGUTYZLW-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COc1cc(Nc2ccc3n[nH]c(C)c3c2)cc(F)c1F ZINC001175701838 1121419907 /nfs/dbraw/zinc/41/99/07/1121419907.db2.gz KODVHAWYGLSTFT-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(C4CC4)nc3)ccc21 ZINC001175657011 1121422018 /nfs/dbraw/zinc/42/20/18/1121422018.db2.gz NJFXHYPCSTZPOX-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1[nH]nc2cc(Nc3cnc(Cl)c(F)c3)ccc12 ZINC001175657704 1121423467 /nfs/dbraw/zinc/42/34/67/1121423467.db2.gz XGBWIBWXFQZREU-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1[nH]nc2cc(Nc3ncccc3C3CC3)ccc21 ZINC001175660489 1121424131 /nfs/dbraw/zinc/42/41/31/1121424131.db2.gz PUQUPPLRVZJHMV-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN CC(=O)c1sccc1Nc1ccc2c(C)[nH]nc2c1 ZINC001175660277 1121425054 /nfs/dbraw/zinc/42/50/54/1121425054.db2.gz OEQRXYJZYCPIBG-UHFFFAOYSA-N 0 1 271.345 3.879 20 0 CHADMN CCOC(=O)c1cccc(Nc2ccc3c(C)[nH]nc3c2)c1 ZINC001175662326 1121425655 /nfs/dbraw/zinc/42/56/55/1121425655.db2.gz GTQDYLCPCMHBSG-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN CCc1ncsc1Nc1ccc2c(C)[nH]nc2c1 ZINC001175661968 1121425762 /nfs/dbraw/zinc/42/57/62/1121425762.db2.gz XSZSYHCWGJJGAC-UHFFFAOYSA-N 0 1 258.350 3.634 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccccc3N(C)C)ccc21 ZINC001175661743 1121425996 /nfs/dbraw/zinc/42/59/96/1121425996.db2.gz PTXZZSLUWCVAIV-UHFFFAOYSA-N 0 1 266.348 3.681 20 0 CHADMN C[C@@H](CC(=O)Nc1ncc(C(F)(F)F)[nH]1)CC(C)(C)C ZINC000676346061 1121426113 /nfs/dbraw/zinc/42/61/13/1121426113.db2.gz DWPAGZCKCAUKKF-QMMMGPOBSA-N 0 1 291.317 3.829 20 0 CHADMN Cc1nc2c(Nc3ccc4c(c3)n[nH]c4C)cccn2c1C ZINC001175661791 1121426087 /nfs/dbraw/zinc/42/60/87/1121426087.db2.gz RRDONQMJRSDJCT-UHFFFAOYSA-N 0 1 291.358 3.879 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(O)c(C)c3)ccc12 ZINC001175661959 1121426303 /nfs/dbraw/zinc/42/63/03/1121426303.db2.gz XLDCWJCQMIJSQA-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COC(=O)c1cc(F)ccc1Nc1ccc2c(C)[nH]nc2c1 ZINC001175662398 1121426379 /nfs/dbraw/zinc/42/63/79/1121426379.db2.gz KINAGZDFACRRCK-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1[nH]nc2cc(Nc3c(Cl)cccc3CO)ccc12 ZINC001175662621 1121426417 /nfs/dbraw/zinc/42/64/17/1121426417.db2.gz VFRARDGFVJYODX-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4cn(C)nc4c3)ccc12 ZINC001175662597 1121426532 /nfs/dbraw/zinc/42/65/32/1121426532.db2.gz UDBDGWMKPWJYCY-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4snnc43)ccc21 ZINC001175664455 1121427639 /nfs/dbraw/zinc/42/76/39/1121427639.db2.gz AYZWHWYJDOHIEZ-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN COc1c(F)cc(Nc2ccc3c(C)[nH]nc3c2)cc1F ZINC001175662997 1121427925 /nfs/dbraw/zinc/42/79/25/1121427925.db2.gz NIWZKYPHPKYMAR-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4c(c3)[C@@H](O)CC4)ccc12 ZINC001175663317 1121427951 /nfs/dbraw/zinc/42/79/51/1121427951.db2.gz CJCHMMOTKXQKHR-KRWDZBQOSA-N 0 1 279.343 3.595 20 0 CHADMN COc1ccc(F)c(Nc2ccc3c(C)[nH]nc3c2)c1 ZINC001175663273 1121428074 /nfs/dbraw/zinc/42/80/74/1121428074.db2.gz WSMPNQUZZWGCOK-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN COc1cc(Nc2ccc3c(C)[nH]nc3c2)cc(F)c1F ZINC001175665423 1121428311 /nfs/dbraw/zinc/42/83/11/1121428311.db2.gz NVHGNYXOCDPVDR-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1[nH]nc2ccc(Nc3c(F)cc(O)cc3F)cc12 ZINC001175702983 1121429226 /nfs/dbraw/zinc/42/92/26/1121429226.db2.gz VVLJHOVOQASKFQ-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cnc3c(C)cccn23)c1 ZINC000432883817 1121430589 /nfs/dbraw/zinc/43/05/89/1121430589.db2.gz KSTKWPMXXKWTBT-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN Clc1nccc2cc(CN3CCCC3)sc21 ZINC000893870441 1121434333 /nfs/dbraw/zinc/43/43/33/1121434333.db2.gz CYXDBXDOBWSRFN-UHFFFAOYSA-N 0 1 252.770 3.546 20 0 CHADMN Cc1n[nH]c(CN(C)[C@@H]2CCCc3ccccc32)c1C ZINC000893906214 1121437621 /nfs/dbraw/zinc/43/76/21/1121437621.db2.gz WTJDADRFANUTJW-QGZVFWFLSA-N 0 1 269.392 3.536 20 0 CHADMN Cc1ccc(OC(F)F)c(CN2CCC(F)CC2)c1 ZINC001175733346 1121440327 /nfs/dbraw/zinc/44/03/27/1121440327.db2.gz MSMCUMMNNLPCSF-UHFFFAOYSA-N 0 1 273.298 3.530 20 0 CHADMN FC(F)(F)Cc1ccccc1CNCc1ccns1 ZINC000631181985 1128989543 /nfs/dbraw/zinc/98/95/43/1128989543.db2.gz SZYJLKMHAGSCNH-UHFFFAOYSA-N 0 1 286.322 3.538 20 0 CHADMN Cc1cc(C)cc(OCC[N@H+](C)Cc2cnccc2C)c1 ZINC000676539426 1121442200 /nfs/dbraw/zinc/44/22/00/1121442200.db2.gz PIRXORYVGDLUKJ-UHFFFAOYSA-N 0 1 284.403 3.518 20 0 CHADMN Cc1cc(C)cc(OCCN(C)Cc2cnccc2C)c1 ZINC000676539426 1121442206 /nfs/dbraw/zinc/44/22/06/1121442206.db2.gz PIRXORYVGDLUKJ-UHFFFAOYSA-N 0 1 284.403 3.518 20 0 CHADMN Cc1[nH]nc(CN(C)[C@H](C)c2ccccc2Cl)c1C ZINC000893931868 1121443484 /nfs/dbraw/zinc/44/34/84/1121443484.db2.gz UJYVYZPVTAGFBV-GFCCVEGCSA-N 0 1 277.799 3.873 20 0 CHADMN Cc1noc2ncc(CN(C)[C@H](C)c3cccs3)cc12 ZINC000893947499 1121444708 /nfs/dbraw/zinc/44/47/08/1121444708.db2.gz VWCUDLNDWKZYGD-LLVKDONJSA-N 0 1 287.388 3.786 20 0 CHADMN CCC[C@H]1CCCN(Cc2ccnc(Cl)c2)C1 ZINC000708502701 1121468702 /nfs/dbraw/zinc/46/87/02/1121468702.db2.gz MRZOGLOFTWJZSL-LBPRGKRZSA-N 0 1 252.789 3.747 20 0 CHADMN COc1cccc(CN(Cc2ocnc2C)CC(C)C)c1 ZINC000893958555 1121446864 /nfs/dbraw/zinc/44/68/64/1121446864.db2.gz PBJVAWCBKRAEGU-UHFFFAOYSA-N 0 1 288.391 3.650 20 0 CHADMN Cc1ccc(CN2CCS[C@@H](c3ccccc3)C2)nc1 ZINC000676605907 1121448538 /nfs/dbraw/zinc/44/85/38/1121448538.db2.gz SBFXYFRVARPSSE-QGZVFWFLSA-N 0 1 284.428 3.680 20 0 CHADMN Cc1ccc(C(C)(C)NCc2ccc(C(F)F)nc2)cn1 ZINC000631111906 1128985453 /nfs/dbraw/zinc/98/54/53/1128985453.db2.gz LKAKPXKOWCYODB-UHFFFAOYSA-N 0 1 291.345 3.748 20 0 CHADMN Cc1cc(CNC/C=C/c2cc(C)c(C)cc2C)ncn1 ZINC000631102021 1128985653 /nfs/dbraw/zinc/98/56/53/1128985653.db2.gz RRENPODXWGEINR-AATRIKPKSA-N 0 1 281.403 3.513 20 0 CHADMN COc1c(F)cc(F)cc1CN1[C@@H](C)CCC[C@@H]1C ZINC001143551434 1121466844 /nfs/dbraw/zinc/46/68/44/1121466844.db2.gz YCDZBWQFEGIWJO-QWRGUYRKSA-N 0 1 269.335 3.736 20 0 CHADMN COc1c(F)cc(F)cc1CN1CCC[C@@](C)(F)CC1 ZINC001143552131 1121467940 /nfs/dbraw/zinc/46/79/40/1121467940.db2.gz RSEMSWSKIVSQQL-OAHLLOKOSA-N 0 1 287.325 3.688 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(-c2ccccc2)nc1 ZINC001175832902 1121469064 /nfs/dbraw/zinc/46/90/64/1121469064.db2.gz FKPKVVYXTOWVDU-UHFFFAOYSA-N 0 1 264.332 3.534 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)N2CCC[C@H]2C)n1 ZINC000245498852 1121475371 /nfs/dbraw/zinc/47/53/71/1121475371.db2.gz XANWZYKMMCMRBP-CHWSQXEVSA-N 0 1 271.364 3.590 20 0 CHADMN CCc1cccc(NC(=O)c2cn[nH]c2-c2ccccc2)c1 ZINC000028954536 1121481499 /nfs/dbraw/zinc/48/14/99/1121481499.db2.gz LSEOVJCUHYLMNP-UHFFFAOYSA-N 0 1 291.354 3.891 20 0 CHADMN Fc1cccc2c1OCCN(c1ccnc3ccccc31)C2 ZINC000432942453 1121487464 /nfs/dbraw/zinc/48/74/64/1121487464.db2.gz AYDJKMWUFRXLDD-UHFFFAOYSA-N 0 1 294.329 3.773 20 0 CHADMN FC(F)Oc1ccccc1CN1CCCC(F)(F)CC1 ZINC000625765933 1121489070 /nfs/dbraw/zinc/48/90/70/1121489070.db2.gz BDUIQPAQMQEUIP-UHFFFAOYSA-N 0 1 291.288 3.909 20 0 CHADMN Fc1c(Cl)cccc1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000625779983 1121496309 /nfs/dbraw/zinc/49/63/09/1121496309.db2.gz XMPIVEPCXSBRQE-NEPJUHHUSA-N 0 1 285.815 3.949 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@@H](CSC)C2)cc1Cl ZINC000429272792 1121497801 /nfs/dbraw/zinc/49/78/01/1121497801.db2.gz KWUVIRCRZODIIG-CYBMUJFWSA-N 0 1 299.867 3.924 20 0 CHADMN Cc1cc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)C2(C)C)n[nH]1 ZINC000922965069 1121500920 /nfs/dbraw/zinc/50/09/20/1121500920.db2.gz USTBEWQSLIPGIU-UKRRQHHQSA-N 0 1 297.402 3.515 20 0 CHADMN CCc1onc(C)c1CNCc1ccc(C(F)F)cc1 ZINC000922982859 1121501090 /nfs/dbraw/zinc/50/10/90/1121501090.db2.gz FQZFJQLSWGFNGL-UHFFFAOYSA-N 0 1 280.318 3.773 20 0 CHADMN CCc1onc(C)c1CNCc1cc2c(cccc2C)[nH]1 ZINC000922982773 1121501738 /nfs/dbraw/zinc/50/17/38/1121501738.db2.gz UHWQYAKJTLFVMY-UHFFFAOYSA-N 0 1 283.375 3.625 20 0 CHADMN CCc1onc(C)c1CNCc1ccc2occc2c1 ZINC000922985294 1121503377 /nfs/dbraw/zinc/50/33/77/1121503377.db2.gz ZVULBFRPEKNKLY-UHFFFAOYSA-N 0 1 270.332 3.581 20 0 CHADMN CCc1onc(C)c1CNCc1cccc(C(F)(F)F)c1 ZINC000922988283 1121504683 /nfs/dbraw/zinc/50/46/83/1121504683.db2.gz QVDUGZRGLYYJOI-UHFFFAOYSA-N 0 1 298.308 3.854 20 0 CHADMN CCc1onc(C)c1CNCc1cc(C)c(C)cc1C ZINC000922987373 1121505320 /nfs/dbraw/zinc/50/53/20/1121505320.db2.gz HOWLBHANOPFAQY-UHFFFAOYSA-N 0 1 272.392 3.760 20 0 CHADMN O[C@@H]1CCc2ccccc2[C@@H]1NCc1cc2ccccc2o1 ZINC000922987087 1121505519 /nfs/dbraw/zinc/50/55/19/1121505519.db2.gz CGDINDKICPLBHG-MJGOQNOKSA-N 0 1 293.366 3.571 20 0 CHADMN Cc1ccc([C@@H](NCc2ccccc2CO)C2CCC2)o1 ZINC000543599856 1121506522 /nfs/dbraw/zinc/50/65/22/1121506522.db2.gz IDWGBUWRSYNKHC-SFHVURJKSA-N 0 1 285.387 3.711 20 0 CHADMN CC(C)[C@H]1COCCN1Cc1ccc(C(F)(F)F)cc1 ZINC001204164853 1121508182 /nfs/dbraw/zinc/50/81/82/1121508182.db2.gz ZJNLTHLULHMUHU-CQSZACIVSA-N 0 1 287.325 3.562 20 0 CHADMN CCc1noc([C@H](C)N2C[C@@H](c3ccccc3)C[C@H]2C)n1 ZINC000246739533 1121509699 /nfs/dbraw/zinc/50/96/99/1121509699.db2.gz IJINNIAHFSLOFV-IPYPFGDCSA-N 0 1 285.391 3.571 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNC2([C@@H]3CCCCO3)CC2)o1 ZINC000923027905 1121512813 /nfs/dbraw/zinc/51/28/13/1121512813.db2.gz REWQIHLRKNPJOY-INWMFGNUSA-N 0 1 275.392 3.594 20 0 CHADMN CC(C)(C)c1csc(CNC2([C@H]3CCCCO3)CC2)n1 ZINC000923027743 1121512834 /nfs/dbraw/zinc/51/28/34/1121512834.db2.gz IJHWNVNCWQGWTR-CYBMUJFWSA-N 0 1 294.464 3.632 20 0 CHADMN Cc1sccc1CN[C@@]1(C)CCOc2ccccc21 ZINC000923023935 1121513243 /nfs/dbraw/zinc/51/32/43/1121513243.db2.gz FFERVANENOGFQJ-INIZCTEOSA-N 0 1 273.401 3.844 20 0 CHADMN Cc1sccc1CN[C@]1(C)CCOc2ccccc21 ZINC000923023938 1121514023 /nfs/dbraw/zinc/51/40/23/1121514023.db2.gz FFERVANENOGFQJ-MRXNPFEDSA-N 0 1 273.401 3.844 20 0 CHADMN C[C@@H]1CCCC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000512658136 1121514815 /nfs/dbraw/zinc/51/48/15/1121514815.db2.gz OFKMXWZYQOSZII-LLVKDONJSA-N 0 1 253.773 3.668 20 0 CHADMN C[C@@]1(NCc2cccc(F)c2)CCOc2ccccc21 ZINC000923026187 1121516082 /nfs/dbraw/zinc/51/60/82/1121516082.db2.gz RZKMCYCXKDNSBA-QGZVFWFLSA-N 0 1 271.335 3.613 20 0 CHADMN COc1ccccc1[C@H]1CSCCCN1C/C=C/Cl ZINC001175947093 1121516458 /nfs/dbraw/zinc/51/64/58/1121516458.db2.gz PQHMLQYHEYKTJV-YOIVXCQUSA-N 0 1 297.851 3.928 20 0 CHADMN CC(C)(F)CNCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000631189628 1128990581 /nfs/dbraw/zinc/99/05/81/1128990581.db2.gz UKSXAVHMZUYPLS-UHFFFAOYSA-N 0 1 292.329 3.851 20 0 CHADMN Clc1ccc2ncc(Nc3ccc4nn[nH]c4c3)cc2c1 ZINC001176001443 1121518321 /nfs/dbraw/zinc/51/83/21/1121518321.db2.gz BOXSPIBCDCVQTH-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1ccc2ncc(Nc3ccc4n[nH]nc4c3)cc2c1 ZINC001176001443 1121518328 /nfs/dbraw/zinc/51/83/28/1121518328.db2.gz BOXSPIBCDCVQTH-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Cc1nc2ccccc2cc1Nc1ccc2nn[nH]c2c1 ZINC001175999164 1121519175 /nfs/dbraw/zinc/51/91/75/1121519175.db2.gz NYEDXLJTNJIQIY-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1nc2ccccc2cc1Nc1ccc2n[nH]nc2c1 ZINC001175999164 1121519176 /nfs/dbraw/zinc/51/91/76/1121519176.db2.gz NYEDXLJTNJIQIY-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1cc(C)c(Nc2ccc3nn[nH]c3c2)cc1C ZINC001176001774 1121519458 /nfs/dbraw/zinc/51/94/58/1121519458.db2.gz BBBYYDYQBNZGEJ-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN Cc1cc(C)c(Nc2ccc3n[nH]nc3c2)cc1C ZINC001176001774 1121519463 /nfs/dbraw/zinc/51/94/63/1121519463.db2.gz BBBYYDYQBNZGEJ-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN CSC[C@@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000429306782 1121519700 /nfs/dbraw/zinc/51/97/00/1121519700.db2.gz NZTXOCVRBQHFHN-LLVKDONJSA-N 0 1 271.376 3.540 20 0 CHADMN Cc1ccc(Cl)cc1Nc1ccc2nn[nH]c2c1 ZINC001176006194 1121520370 /nfs/dbraw/zinc/52/03/70/1121520370.db2.gz WOFIBLZADFNTDG-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1ccc(Cl)cc1Nc1ccc2n[nH]nc2c1 ZINC001176006194 1121520376 /nfs/dbraw/zinc/52/03/76/1121520376.db2.gz WOFIBLZADFNTDG-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Clc1ccnc2cc(Nc3ccc4nn[nH]c4c3)ccc12 ZINC001176003212 1121520673 /nfs/dbraw/zinc/52/06/73/1121520673.db2.gz OGVMNKUSIMICIK-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1ccnc2cc(Nc3ccc4n[nH]nc4c3)ccc12 ZINC001176003212 1121520680 /nfs/dbraw/zinc/52/06/80/1121520680.db2.gz OGVMNKUSIMICIK-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Cc1cccc(Nc2ccc3nn[nH]c3c2)c1Cl ZINC001176003197 1121520875 /nfs/dbraw/zinc/52/08/75/1121520875.db2.gz FSFVPRFKGUQFIG-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1cccc(Nc2ccc3n[nH]nc3c2)c1Cl ZINC001176003197 1121520880 /nfs/dbraw/zinc/52/08/80/1121520880.db2.gz FSFVPRFKGUQFIG-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN COc1cc(Nc2ccc3nn[nH]c3c2)c(Cl)cc1C ZINC001176004928 1121522523 /nfs/dbraw/zinc/52/25/23/1121522523.db2.gz NOXDOMPRBNMZNO-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN COc1cc(Nc2ccc3n[nH]nc3c2)c(Cl)cc1C ZINC001176004928 1121522527 /nfs/dbraw/zinc/52/25/27/1121522527.db2.gz NOXDOMPRBNMZNO-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Clc1cnc2ccc(Nc3ccc4nn[nH]c4c3)cc2c1 ZINC001176003594 1121522597 /nfs/dbraw/zinc/52/25/97/1121522597.db2.gz SJRNYYQZSFFWNU-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1cnc2ccc(Nc3ccc4n[nH]nc4c3)cc2c1 ZINC001176003594 1121522603 /nfs/dbraw/zinc/52/26/03/1121522603.db2.gz SJRNYYQZSFFWNU-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccc(F)c(F)c1 ZINC000433024539 1121523523 /nfs/dbraw/zinc/52/35/23/1121523523.db2.gz DFBCEGOXFAOPTA-NSHDSACASA-N 0 1 251.320 3.729 20 0 CHADMN C[C@H]1CC2(CCC2)C[N@H+]1Cc1c(F)cccc1F ZINC000433024979 1121524002 /nfs/dbraw/zinc/52/40/02/1121524002.db2.gz GGEFUQHBEKTCMV-NSHDSACASA-N 0 1 251.320 3.729 20 0 CHADMN C[C@H]1CC2(CCC2)CN1Cc1c(F)cccc1F ZINC000433024979 1121524007 /nfs/dbraw/zinc/52/40/07/1121524007.db2.gz GGEFUQHBEKTCMV-NSHDSACASA-N 0 1 251.320 3.729 20 0 CHADMN Cc1nc([C@H](C)N(C)Cc2csc3ccccc23)n[nH]1 ZINC000411165021 1121528517 /nfs/dbraw/zinc/52/85/17/1121528517.db2.gz JLMQTQUFWNNBDF-JTQLQIEISA-N 0 1 286.404 3.521 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1cc(C(=O)[O-])cs1)C(C)(C)C ZINC000711418271 1121529947 /nfs/dbraw/zinc/52/99/47/1121529947.db2.gz VLBHZYQEOSOFDO-SNVBAGLBSA-N 0 1 269.410 3.560 20 0 CHADMN CC[C@](C)(NCc1ccc(C)cn1)c1ccc(F)cc1 ZINC000631195602 1128991513 /nfs/dbraw/zinc/99/15/13/1128991513.db2.gz ZLYHRFRANYUYHC-KRWDZBQOSA-N 0 1 272.367 3.944 20 0 CHADMN CCN1CCC[C@H](Oc2cccc(Cl)c2Cl)C1 ZINC001225207009 1121532922 /nfs/dbraw/zinc/53/29/22/1121532922.db2.gz OCSJJMAZGJXISL-JTQLQIEISA-N 0 1 274.191 3.857 20 0 CHADMN Fc1cc(Cl)cc(Br)c1Nc1ncc[nH]1 ZINC001176082776 1121533022 /nfs/dbraw/zinc/53/30/22/1121533022.db2.gz LDOFWYURDDFJQN-UHFFFAOYSA-N 0 1 290.523 3.708 20 0 CHADMN CC(C)(C)c1csc(CNC[C@@H]2CCC3(CCC3)O2)n1 ZINC000711495223 1121542629 /nfs/dbraw/zinc/54/26/29/1121542629.db2.gz JGJNSXIMSAAQTB-LBPRGKRZSA-N 0 1 294.464 3.632 20 0 CHADMN CC(=O)c1ccc(OC[C@@H]2CCCC[N@@H+]2C(C)C)cc1F ZINC000663973809 1121553541 /nfs/dbraw/zinc/55/35/41/1121553541.db2.gz YXCQVYYRPLNPCT-AWEZNQCLSA-N 0 1 293.382 3.670 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000711624359 1121560821 /nfs/dbraw/zinc/56/08/21/1121560821.db2.gz NPPHWRIFPPNGKJ-DIOULYMOSA-N 0 1 293.794 3.730 20 0 CHADMN C[C@H](F)CCN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000509380515 1121560932 /nfs/dbraw/zinc/56/09/32/1121560932.db2.gz UAMDLRPDWLIWMZ-YOEHRIQHSA-N 0 1 272.367 3.641 20 0 CHADMN C/C=C\C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000625971587 1121562557 /nfs/dbraw/zinc/56/25/57/1121562557.db2.gz JWYZAZQTMTXAJB-SFAKSCPVSA-N 0 1 273.376 3.563 20 0 CHADMN CCOCCN(Cc1cccnc1)[C@H]1CCc2ccccc21 ZINC000625976511 1121564005 /nfs/dbraw/zinc/56/40/05/1121564005.db2.gz HFDRCKAYKOYNTM-IBGZPJMESA-N 0 1 296.414 3.608 20 0 CHADMN C(=CNc1snc2cccnc21)Cc1ccccc1 ZINC001176217722 1121575170 /nfs/dbraw/zinc/57/51/70/1121575170.db2.gz LNOQHVXURZKDAQ-NYYWCZLTSA-N 0 1 267.357 3.860 20 0 CHADMN CC[C@H]1c2ccsc2CCN1Cc1cnn2ccccc12 ZINC000509407924 1121576586 /nfs/dbraw/zinc/57/65/86/1121576586.db2.gz NGFGIJQLSMOMKC-HNNXBMFYSA-N 0 1 297.427 3.905 20 0 CHADMN Cc1ccc(CNCc2ccc(C)cc2-c2cnn(C)c2)o1 ZINC000631243202 1128994629 /nfs/dbraw/zinc/99/46/29/1128994629.db2.gz VXMAJPZVYGIMAT-UHFFFAOYSA-N 0 1 295.386 3.587 20 0 CHADMN CCc1ccccc1NC(=O)CN1CC[C@@H](CC(C)C)C1 ZINC000466728222 1121576813 /nfs/dbraw/zinc/57/68/13/1121576813.db2.gz HTGCXULHCPYCDX-HNNXBMFYSA-N 0 1 288.435 3.556 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(F)nc2C)cc1F ZINC000785483732 1121582759 /nfs/dbraw/zinc/58/27/59/1121582759.db2.gz BEBYAVSPMCZYQL-LLVKDONJSA-N 0 1 276.330 3.827 20 0 CHADMN Cc1cnc(CN[C@H]2C[C@H](Sc3ccccc3)C2)s1 ZINC000631251719 1128995084 /nfs/dbraw/zinc/99/50/84/1128995084.db2.gz FUECOZGKWYZSAG-MQMHXKEQSA-N 0 1 290.457 3.864 20 0 CHADMN C[C@H](N[C@@H](CO)CC(F)F)c1cccc(Cl)c1Cl ZINC000429455201 1121589641 /nfs/dbraw/zinc/58/96/41/1121589641.db2.gz PLNYPBQCQLXREK-JGVFFNPUSA-N 0 1 298.160 3.660 20 0 CHADMN CCc1ccc(CNC(C)(C)c2cccc(F)c2)nc1 ZINC000411473391 1121592211 /nfs/dbraw/zinc/59/22/11/1121592211.db2.gz VNJXIJRZCXISSK-UHFFFAOYSA-N 0 1 272.367 3.808 20 0 CHADMN CCCCc1noc([C@@H](C)N2CC[C@H](CC(C)C)C2)n1 ZINC000466744761 1121595753 /nfs/dbraw/zinc/59/57/53/1121595753.db2.gz VVCWNUOHUDRCRA-ZIAGYGMSSA-N 0 1 279.428 3.841 20 0 CHADMN Fc1cc(Cl)ccc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631259751 1128996082 /nfs/dbraw/zinc/99/60/82/1128996082.db2.gz CPBSOITYRPVKFK-PSASIEDQSA-N 0 1 267.653 3.520 20 0 CHADMN Clc1cccc2c1OC[C@@H]2NCc1ccccc1 ZINC000374548057 1121601747 /nfs/dbraw/zinc/60/17/47/1121601747.db2.gz JOAKJMASFUVBFJ-AWEZNQCLSA-N 0 1 259.736 3.563 20 0 CHADMN Cc1cnc(CN(C)C2CCC(C(C)C)CC2)o1 ZINC000433166470 1121602069 /nfs/dbraw/zinc/60/20/69/1121602069.db2.gz XREAPIMJVBCZNY-UHFFFAOYSA-N 0 1 250.386 3.630 20 0 CHADMN CCN(c1ccc(N[C@H](C)CCOC)cc1)C(C)C ZINC000182773136 1128996731 /nfs/dbraw/zinc/99/67/31/1128996731.db2.gz GBXUXXIVFWBZQW-CQSZACIVSA-N 0 1 264.413 3.758 20 0 CHADMN CCCc1ccc(CNCc2c(C)onc2CC)cc1 ZINC000645187801 1121610486 /nfs/dbraw/zinc/61/04/86/1121610486.db2.gz VFHVIXUYMSKKAL-UHFFFAOYSA-N 0 1 272.392 3.788 20 0 CHADMN CC(C)[C@@H]1C[C@@H](N[C@H](CF)c2ccc(F)cc2)CCO1 ZINC000631283723 1128997033 /nfs/dbraw/zinc/99/70/33/1128997033.db2.gz MASNZLGFHBPSER-XHSDSOJGSA-N 0 1 283.362 3.630 20 0 CHADMN CC[C@@H](C)[C@@H](O)CNCc1csc(Cl)c1Cl ZINC000336675626 1121611831 /nfs/dbraw/zinc/61/18/31/1121611831.db2.gz BNBOPZWQHQTMEE-APPZFPTMSA-N 0 1 282.236 3.552 20 0 CHADMN CC[C@@H](C)[C@H](O)CNCc1csc(Cl)c1Cl ZINC000336675632 1121612630 /nfs/dbraw/zinc/61/26/30/1121612630.db2.gz BNBOPZWQHQTMEE-VXNVDRBHSA-N 0 1 282.236 3.552 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2NCc1scnc1C1CC1 ZINC000486961553 1121615992 /nfs/dbraw/zinc/61/59/92/1121615992.db2.gz CLMCWJLLVICTBI-AWEZNQCLSA-N 0 1 288.391 3.937 20 0 CHADMN Cc1cc([C@H]2CCC[N@H+]2C/C=C/c2ccc(F)cc2)on1 ZINC000509809784 1121618060 /nfs/dbraw/zinc/61/80/60/1121618060.db2.gz FRVPZUDGYZCUQY-WPTTZPOMSA-N 0 1 286.350 3.972 20 0 CHADMN Cc1cc([C@H]2CCCN2C/C=C/c2ccc(F)cc2)on1 ZINC000509809784 1121618062 /nfs/dbraw/zinc/61/80/62/1121618062.db2.gz FRVPZUDGYZCUQY-WPTTZPOMSA-N 0 1 286.350 3.972 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CC[C@@H](COC(F)F)C1 ZINC000512840254 1121620111 /nfs/dbraw/zinc/62/01/11/1121620111.db2.gz MNRNHGPVXOLMMJ-NXEZZACHSA-N 0 1 291.288 3.587 20 0 CHADMN Cc1nc([C@@H](C)N2CC3(CCCC3)[C@H]2c2ccccc2)n[nH]1 ZINC000411812842 1121627584 /nfs/dbraw/zinc/62/75/84/1121627584.db2.gz AFLGKPGKSOHUOC-CZUORRHYSA-N 0 1 296.418 3.791 20 0 CHADMN C[C@H](NCC1(C)CCC1)c1nc(Cc2ccccc2)no1 ZINC000267658398 1121628964 /nfs/dbraw/zinc/62/89/64/1121628964.db2.gz MXOMNRUDUKODJK-ZDUSSCGKSA-N 0 1 285.391 3.501 20 0 CHADMN Fc1cc(Nc2ccc3nccn3c2)cc(N2CCCC2)c1 ZINC001176418145 1121629441 /nfs/dbraw/zinc/62/94/41/1121629441.db2.gz GJTKMBKQFGLYOW-UHFFFAOYSA-N 0 1 296.349 3.817 20 0 CHADMN Cc1cc([C@@H]2CCCCN2Cc2ccc3c(c2)CCC3)[nH]n1 ZINC001176485955 1121637118 /nfs/dbraw/zinc/63/71/18/1121637118.db2.gz QPDISWOEMURJGD-IBGZPJMESA-N 0 1 295.430 3.934 20 0 CHADMN C[C@@H](N[C@H]1CCCOc2ccccc21)c1ccns1 ZINC000924880866 1121641147 /nfs/dbraw/zinc/64/11/47/1121641147.db2.gz DFFOLGLYGUSLLL-YPMHNXCESA-N 0 1 274.389 3.708 20 0 CHADMN CCCCOc1ccc(Nc2nccn2C)c(F)c1F ZINC001176519511 1121642604 /nfs/dbraw/zinc/64/26/04/1121642604.db2.gz DVYGALWFCQJBNE-UHFFFAOYSA-N 0 1 281.306 3.621 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2NCc1ccc(-c2cc[nH]n2)o1 ZINC000433311306 1121644209 /nfs/dbraw/zinc/64/42/09/1121644209.db2.gz GRBOBYKVGJYAOT-HNNXBMFYSA-N 0 1 297.333 3.586 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000433308566 1121645812 /nfs/dbraw/zinc/64/58/12/1121645812.db2.gz ZANRVGNKQLVUQJ-LBPRGKRZSA-N 0 1 297.358 3.529 20 0 CHADMN c1cc(-c2ccc(CNC3(c4ccccc4)CCC3)o2)n[nH]1 ZINC000433310752 1121645872 /nfs/dbraw/zinc/64/58/72/1121645872.db2.gz DOOVFOOTSQRNCF-UHFFFAOYSA-N 0 1 293.370 3.839 20 0 CHADMN CCc1nocc1CN[C@H](CC1CC1)c1ccccc1 ZINC000660194701 1128999756 /nfs/dbraw/zinc/99/97/56/1128999756.db2.gz JCCLEFNYKWLFSC-QGZVFWFLSA-N 0 1 270.376 3.868 20 0 CHADMN Cc1cc(C)c(CNCc2ccc(-c3cc[nH]n3)o2)c(C)c1 ZINC000433315978 1121648360 /nfs/dbraw/zinc/64/83/60/1121648360.db2.gz ZYFBTEVDKLZIHS-UHFFFAOYSA-N 0 1 295.386 3.885 20 0 CHADMN Clc1ccccc1Nc1ccnn1-c1ccncc1 ZINC001176552446 1121653753 /nfs/dbraw/zinc/65/37/53/1121653753.db2.gz BJOMBRTXBYHMMP-UHFFFAOYSA-N 0 1 270.723 3.664 20 0 CHADMN CCc1cccc(NC(=O)CN2[C@H](C)CC[C@@H]2C)c1CC ZINC000490158307 1121655112 /nfs/dbraw/zinc/65/51/12/1121655112.db2.gz LNUFUTMXZYBJSZ-OKILXGFUSA-N 0 1 288.435 3.623 20 0 CHADMN C[C@]12CCN(Cc3cccc(Cl)c3)C[C@H]1C2(F)F ZINC000428747888 1121657305 /nfs/dbraw/zinc/65/73/05/1121657305.db2.gz YDHDRPXEZHNKIE-OLZOCXBDSA-N 0 1 271.738 3.817 20 0 CHADMN CCC(CC)n1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)n1 ZINC000428750254 1121657983 /nfs/dbraw/zinc/65/79/83/1121657983.db2.gz RSQRKYZPEGUMMY-CABCVRRESA-N 0 1 297.393 3.721 20 0 CHADMN CC[C@H](C(=O)OC)N1CCC(CC2CCCCC2)CC1 ZINC001176578517 1121659235 /nfs/dbraw/zinc/65/92/35/1121659235.db2.gz PBOKIBZSYGXONI-MRXNPFEDSA-N 0 1 281.440 3.620 20 0 CHADMN Cc1ncn(-c2cc(Cl)c(Cl)c(Cl)c2)c1N ZINC001176626584 1121665669 /nfs/dbraw/zinc/66/56/69/1121665669.db2.gz MHHFXVYQJJZMDI-UHFFFAOYSA-N 0 1 276.554 3.723 20 0 CHADMN CCOc1ccc(S[C@@H](C)c2n[nH]c(CC)n2)cc1 ZINC001118473125 1121667447 /nfs/dbraw/zinc/66/74/47/1121667447.db2.gz JWJXLCOJQVAZIO-JTQLQIEISA-N 0 1 277.393 3.619 20 0 CHADMN Fc1cccc(CN(Cc2cncnc2)C2CCCC2)c1 ZINC000271095211 1121668466 /nfs/dbraw/zinc/66/84/66/1121668466.db2.gz YYOXWPYKTKYNLS-UHFFFAOYSA-N 0 1 285.366 3.561 20 0 CHADMN Fc1ccccc1-c1ccc(C[N@H+]2CCCOCC2)s1 ZINC000510516692 1121668612 /nfs/dbraw/zinc/66/86/12/1121668612.db2.gz DQQBOHJUQFPEFL-UHFFFAOYSA-N 0 1 291.391 3.777 20 0 CHADMN OCc1cc(NC=Cc2ccc(C(F)(F)F)cc2)ccn1 ZINC001176661641 1121677393 /nfs/dbraw/zinc/67/73/93/1121677393.db2.gz XDQZBXOFTSYCHJ-FNORWQNLSA-N 0 1 294.276 3.676 20 0 CHADMN CCC1CCN([C@H](C)C(=O)Nc2c(C)cccc2C)CC1 ZINC000052280192 1121682586 /nfs/dbraw/zinc/68/25/86/1121682586.db2.gz XQIGQOFEJZAJJB-OAHLLOKOSA-N 0 1 288.435 3.752 20 0 CHADMN c1c(-c2ccccc2)n[nH]c1-c1nc([C@@H]2CCCS2)no1 ZINC000274050076 1121683752 /nfs/dbraw/zinc/68/37/52/1121683752.db2.gz CZPRCLYKGQXHBQ-ZDUSSCGKSA-N 0 1 298.371 3.695 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1CC(=O)Nc1ccccc1 ZINC000052212930 1121695583 /nfs/dbraw/zinc/69/55/83/1121695583.db2.gz NWKCVKHDHZWVDJ-SFHVURJKSA-N 0 1 294.398 3.771 20 0 CHADMN C#CCN(Cc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 ZINC000047406057 1121696506 /nfs/dbraw/zinc/69/65/06/1121696506.db2.gz LRHWBUIEWZMMFP-FQEVSTJZSA-N 0 1 286.378 3.681 20 0 CHADMN CCC1CCN([C@@H](C)C(=O)Nc2cc(F)ccc2C)CC1 ZINC000052280067 1121698788 /nfs/dbraw/zinc/69/87/88/1121698788.db2.gz ILCGRVPPJIFYCB-ZDUSSCGKSA-N 0 1 292.398 3.583 20 0 CHADMN Clc1cccc(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1Cl ZINC001204182374 1121702954 /nfs/dbraw/zinc/70/29/54/1121702954.db2.gz GZLTVGYBRUSUFU-VWUVDNNOSA-N 0 1 298.213 3.603 20 0 CHADMN COc1cccc(C[N@H+]2CC[C@@H](C)C[C@H]2C)c1Cl ZINC001237194807 1129003542 /nfs/dbraw/zinc/00/35/42/1129003542.db2.gz YBUILAXEZNBJSN-VXGBXAGGSA-N 0 1 267.800 3.969 20 0 CHADMN COc1nc2ccccc2cc1CNCc1cccs1 ZINC001177066317 1121709084 /nfs/dbraw/zinc/70/90/84/1121709084.db2.gz SCPCYHHGTIBVCA-UHFFFAOYSA-N 0 1 284.384 3.595 20 0 CHADMN Cc1ccsc1C=CC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC001177075777 1121710212 /nfs/dbraw/zinc/71/02/12/1121710212.db2.gz LLJZIRVZXKNGLN-AATRIKPKSA-N 0 1 297.383 3.893 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1CCC[C@@H](C)C1 ZINC000025498700 1121714801 /nfs/dbraw/zinc/71/48/01/1121714801.db2.gz NXABKNKZJNSPQT-YPMHNXCESA-N 0 1 294.826 3.707 20 0 CHADMN CCN(CC(=O)Nc1ccc2ccccc2c1)C(C)C ZINC000727434333 1121718778 /nfs/dbraw/zinc/71/87/78/1121718778.db2.gz JDHRWTZDXHHORQ-UHFFFAOYSA-N 0 1 270.376 3.509 20 0 CHADMN Cc1cccc(NCC2([C@@H]3CCCCO3)CCC2)n1 ZINC000631510171 1129004457 /nfs/dbraw/zinc/00/44/57/1129004457.db2.gz CFKWXIDAQUQABO-AWEZNQCLSA-N 0 1 260.381 3.541 20 0 CHADMN CC(=O)c1ccc(CN2CC[C@](C)(C(F)(F)F)C2)cc1 ZINC001119269215 1121732483 /nfs/dbraw/zinc/73/24/83/1121732483.db2.gz UPWJJIVOOXUGKM-AWEZNQCLSA-N 0 1 285.309 3.664 20 0 CHADMN CCSc1ccc([C@H](C)NC(=O)C(F)(F)F)cc1 ZINC000728975714 1121734444 /nfs/dbraw/zinc/73/44/44/1121734444.db2.gz LQKJVEWMCSLKSD-QMMMGPOBSA-N 0 1 277.311 3.538 20 0 CHADMN Cc1cccc2nc(NC(=O)[C@@H]3C[C@H]3c3cccs3)[nH]c21 ZINC001177531096 1121735963 /nfs/dbraw/zinc/73/59/63/1121735963.db2.gz SRJYFNFEDVHNDS-GHMZBOCLSA-N 0 1 297.383 3.675 20 0 CHADMN CCOC1(C)CCN(Cc2cnc(CC(C)C)s2)CC1 ZINC000430107875 1121736756 /nfs/dbraw/zinc/73/67/56/1121736756.db2.gz UXHKYFJQSJIPTA-UHFFFAOYSA-N 0 1 296.480 3.733 20 0 CHADMN Cc1ccc(CCN(C)Cc2cccc(F)c2F)cc1 ZINC001204198697 1121737754 /nfs/dbraw/zinc/73/77/54/1121737754.db2.gz ZSVRSCOAOKUTIE-UHFFFAOYSA-N 0 1 275.342 3.948 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCC(C)(C)C ZINC000729096573 1121753712 /nfs/dbraw/zinc/75/37/12/1121753712.db2.gz ONHROVBQPQLNHD-UHFFFAOYSA-N 0 1 272.348 3.588 20 0 CHADMN C[C@@H](N[C@H]1C=CCC1)c1sccc1Br ZINC000698325034 1121756335 /nfs/dbraw/zinc/75/63/35/1121756335.db2.gz AECNUPSDJVZHCX-BDAKNGLRSA-N 0 1 272.211 3.880 20 0 CHADMN Cc1cc([C@H](N[C@H](C)c2ncc[nH]2)C2CC2)ccc1F ZINC000285994875 1121765084 /nfs/dbraw/zinc/76/50/84/1121765084.db2.gz HFGGPRWDBNOXRH-IAQYHMDHSA-N 0 1 273.355 3.659 20 0 CHADMN Cc1cc([C@@H](N[C@H](C)c2ncc[nH]2)C2CC2)ccc1F ZINC000285994864 1121765756 /nfs/dbraw/zinc/76/57/56/1121765756.db2.gz HFGGPRWDBNOXRH-ABAIWWIYSA-N 0 1 273.355 3.659 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@@H]1CCc2c1cccc2C ZINC000168168625 1121769622 /nfs/dbraw/zinc/76/96/22/1121769622.db2.gz BCBSJHQWOZCQQV-MEDUHNTESA-N 0 1 270.376 3.938 20 0 CHADMN Cc1ccccc1[C@H](C)NCc1cc(C(C)C)no1 ZINC000169262016 1121773624 /nfs/dbraw/zinc/77/36/24/1121773624.db2.gz MCXDHAIXSPGUNF-ZDUSSCGKSA-N 0 1 258.365 3.957 20 0 CHADMN CSc1ccncc1NCc1cnc(-c2ccccc2)[nH]1 ZINC001178263810 1121778969 /nfs/dbraw/zinc/77/89/69/1121778969.db2.gz XKIBEJFCIHLQNZ-UHFFFAOYSA-N 0 1 296.399 3.806 20 0 CHADMN Fc1cccc2c1OCCC[C@H]2NCc1cccs1 ZINC001178346091 1121780481 /nfs/dbraw/zinc/78/04/81/1121780481.db2.gz GBNQEJDIHOSJHO-CQSZACIVSA-N 0 1 277.364 3.891 20 0 CHADMN COc1ccccc1[C@@H]1CCCCN1C/C=C/Cl ZINC000730062100 1121791259 /nfs/dbraw/zinc/79/12/59/1121791259.db2.gz IUAKTXDMFOIRCH-XYYIANASSA-N 0 1 265.784 3.975 20 0 CHADMN c1ccc2c(c1)SC[C@@H]2N[C@H]1CCCc2ncccc21 ZINC000631583147 1129009515 /nfs/dbraw/zinc/00/95/15/1129009515.db2.gz VIFYKLFGMHTVNU-HOTGVXAUSA-N 0 1 282.412 3.896 20 0 CHADMN COc1ccc(F)cc1CNCc1cc2ccccc2n1C ZINC001178542900 1121794339 /nfs/dbraw/zinc/79/43/39/1121794339.db2.gz UJUBOZIAFQLODT-UHFFFAOYSA-N 0 1 298.361 3.616 20 0 CHADMN COCC(C)(C)N(C)Cc1cnc(C2CCCC2)s1 ZINC000430151627 1121803244 /nfs/dbraw/zinc/80/32/44/1121803244.db2.gz SALGZSMSQDTQBW-UHFFFAOYSA-N 0 1 282.453 3.658 20 0 CHADMN C[C@H](C1CCCCC1)N(C)C(=O)c1[nH]nc2ccccc21 ZINC000513353126 1121805991 /nfs/dbraw/zinc/80/59/91/1121805991.db2.gz HRNGUSDEQSRYRH-GFCCVEGCSA-N 0 1 285.391 3.604 20 0 CHADMN CN(C/C=C/Cl)CCc1ccc(Br)cc1 ZINC000730378534 1121806241 /nfs/dbraw/zinc/80/62/41/1121806241.db2.gz QZIGOVHWKFVWKP-KRXBUXKQSA-N 0 1 288.616 3.676 20 0 CHADMN Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H](C(=O)[O-])C3)o2)cc1 ZINC000263447653 1121806401 /nfs/dbraw/zinc/80/64/01/1121806401.db2.gz YHSHRIXUYZXKEL-HNNXBMFYSA-N 0 1 299.370 3.552 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001178690059 1121807039 /nfs/dbraw/zinc/80/70/39/1121807039.db2.gz JTEOOLCDGBISON-BBRMVZONSA-N 0 1 274.408 3.623 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)[C@@H]2CCCCN2C)cc1 ZINC001178690059 1121807052 /nfs/dbraw/zinc/80/70/52/1121807052.db2.gz JTEOOLCDGBISON-BBRMVZONSA-N 0 1 274.408 3.623 20 0 CHADMN COc1cc2c(cc1CN[C@H](C)c1ccccc1)O[C@H](C)C2 ZINC000070982142 1121807643 /nfs/dbraw/zinc/80/76/43/1121807643.db2.gz SPFWCAOYUMLVIG-ZIAGYGMSSA-N 0 1 297.398 3.869 20 0 CHADMN c1c2ccccc2[nH]c1CNCc1cc2cccnc2o1 ZINC001178712935 1121809642 /nfs/dbraw/zinc/80/96/42/1121809642.db2.gz FFHAOKRWBMHPCW-UHFFFAOYSA-N 0 1 277.327 3.599 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnn(CC(F)F)c2)c(C)s1 ZINC000292581801 1121816341 /nfs/dbraw/zinc/81/63/41/1121816341.db2.gz AIVOVJBXLNIKHF-SNVBAGLBSA-N 0 1 299.390 3.677 20 0 CHADMN COc1ccc2c(c1)CC[C@@H]2N[C@H]1COc2ccc(C)cc21 ZINC000631600795 1129012416 /nfs/dbraw/zinc/01/24/16/1129012416.db2.gz SSRKVXYQHSBCKR-ROUUACIJSA-N 0 1 295.382 3.714 20 0 CHADMN Cn1c(CN[C@H]2C[C@]2(F)c2ccccc2)cc2ccccc21 ZINC001178998205 1121837876 /nfs/dbraw/zinc/83/78/76/1121837876.db2.gz GSTYKVPWGNKFQR-OALUTQOASA-N 0 1 294.373 3.905 20 0 CHADMN Fc1ccccc1C1(N[C@H]2CCCc3ncccc32)CC1 ZINC000631609562 1129013315 /nfs/dbraw/zinc/01/33/15/1129013315.db2.gz YNXUGTZDIVEYIX-KRWDZBQOSA-N 0 1 282.362 3.877 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC(n2cccn2)CC1 ZINC000731353814 1121864137 /nfs/dbraw/zinc/86/41/37/1121864137.db2.gz HRJGHDOWZUQLIZ-LBPRGKRZSA-N 0 1 291.345 3.559 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cccc3c2OCCO3)c2ccccc21 ZINC000731451157 1121867725 /nfs/dbraw/zinc/86/77/25/1121867725.db2.gz ZQSZOAPLZTWEHS-CXAGYDPISA-N 0 1 295.382 3.796 20 0 CHADMN CC1=C(C)C[C@@](C)(C(=O)Nc2ccc3cncn3c2)CC1 ZINC001179310018 1121868204 /nfs/dbraw/zinc/86/82/04/1121868204.db2.gz MDMKVPQCAJUPAD-KRWDZBQOSA-N 0 1 283.375 3.799 20 0 CHADMN C[C@@H](NCc1cccc(F)c1F)c1ccc2c(c1)CCO2 ZINC000731450125 1121868244 /nfs/dbraw/zinc/86/82/44/1121868244.db2.gz DKCZDOAFJAHXDQ-LLVKDONJSA-N 0 1 289.325 3.751 20 0 CHADMN Fc1cc(CN[C@@H]2CCCC[C@@H]2F)ccc1OC(F)F ZINC001179304913 1121869079 /nfs/dbraw/zinc/86/90/79/1121869079.db2.gz YDAGTCRSMQEPSZ-CMPLNLGQSA-N 0 1 291.288 3.797 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)CC1(C(F)(F)F)CC1 ZINC000345363896 1121875849 /nfs/dbraw/zinc/87/58/49/1121875849.db2.gz DSQAYULXZQSLEX-UHFFFAOYSA-N 0 1 297.280 3.542 20 0 CHADMN CCCCN(CCOC)Cn1c2ccccc2oc1=S ZINC000731660540 1121879375 /nfs/dbraw/zinc/87/93/75/1121879375.db2.gz AYPFSFFMSDJNSH-UHFFFAOYSA-N 0 1 294.420 3.670 20 0 CHADMN Oc1ccc(Cl)c(CNC/C=C/c2ccccc2)c1 ZINC001179458271 1121881746 /nfs/dbraw/zinc/88/17/46/1121881746.db2.gz QWVKKQDNERXDRU-QPJJXVBHSA-N 0 1 273.763 3.849 20 0 CHADMN Cc1cc(F)ncc1CNc1nc2ccc(Cl)cc2[nH]1 ZINC001179515882 1121884219 /nfs/dbraw/zinc/88/42/19/1121884219.db2.gz JORFHXKNICLHAP-UHFFFAOYSA-N 0 1 290.729 3.671 20 0 CHADMN F[C@@H]1COc2ccccc2[C@@H]1N[C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001179578923 1121889171 /nfs/dbraw/zinc/88/91/71/1121889171.db2.gz CWXWQJYMTKCVQY-KTHACSRUSA-N 0 1 275.367 3.627 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1ccc(F)cc1C ZINC000731867663 1121889695 /nfs/dbraw/zinc/88/96/95/1121889695.db2.gz ORZUKOPSZQNHEM-UHFFFAOYSA-N 0 1 280.387 3.585 20 0 CHADMN COc1ccccc1C1(N[C@H]2CCCc3ncccc32)CC1 ZINC000631642093 1129016597 /nfs/dbraw/zinc/01/65/97/1129016597.db2.gz IICAWJSKWRDZDI-KRWDZBQOSA-N 0 1 294.398 3.747 20 0 CHADMN CC[C@H](C)CN(C)Cn1c2ccccc2oc1=S ZINC000732182474 1121911220 /nfs/dbraw/zinc/91/12/20/1121911220.db2.gz CLYZWXFIONSWCY-NSHDSACASA-N 0 1 264.394 3.899 20 0 CHADMN CN(Cc1ccccc1)Cc1cccc2c1OC(F)(F)O2 ZINC001179845053 1121916430 /nfs/dbraw/zinc/91/64/30/1121916430.db2.gz IKXSFBLJBMGUEH-UHFFFAOYSA-N 0 1 291.297 3.640 20 0 CHADMN c1ccc([C@@H]2CCN2Cc2nccc3c2CCCC3)cc1 ZINC001179845303 1121917680 /nfs/dbraw/zinc/91/76/80/1121917680.db2.gz NYLJYGLGCRLEJA-IBGZPJMESA-N 0 1 278.399 3.907 20 0 CHADMN C[C@]1(CN2CCc3c(Cl)cccc3C2)CCCCO1 ZINC001179863020 1121920533 /nfs/dbraw/zinc/92/05/33/1121920533.db2.gz JMWGMPWXUVBCOV-MRXNPFEDSA-N 0 1 279.811 3.657 20 0 CHADMN CC=CC=CC(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732543681 1121924914 /nfs/dbraw/zinc/92/49/14/1121924914.db2.gz JLUCVDBRJQVVBJ-MGCXLJFFSA-N 0 1 289.766 3.526 20 0 CHADMN COC(C)(C)CCN(C)Cc1nc2ccccc2s1 ZINC000345869692 1121925007 /nfs/dbraw/zinc/92/50/07/1121925007.db2.gz WFTANDBVIAEHRR-UHFFFAOYSA-N 0 1 278.421 3.543 20 0 CHADMN CCC/C=C\C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732559850 1121925635 /nfs/dbraw/zinc/92/56/35/1121925635.db2.gz SBNDNCYPHAARJZ-OMMCCPJFSA-N 0 1 291.782 3.750 20 0 CHADMN CC[C@@H]1CCCC[C@H]1CN(C)[C@H](C)c1nc(C)no1 ZINC000628327676 1121926456 /nfs/dbraw/zinc/92/64/56/1121926456.db2.gz MCPHVJZGCTWVHR-BNOWGMLFSA-N 0 1 265.401 3.587 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2ccc(F)cn2)cc1 ZINC000345918283 1121926950 /nfs/dbraw/zinc/92/69/50/1121926950.db2.gz ZVUNCVPBYSSAKO-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@H](Nc1nccs1)c1nc2ccc(Cl)cc2[nH]1 ZINC000732568572 1121927970 /nfs/dbraw/zinc/92/79/70/1121927970.db2.gz BDCUZJDNQXOFES-ZETCQYMHSA-N 0 1 278.768 3.846 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCC(C)(C)F)CCS2 ZINC000631663766 1129018965 /nfs/dbraw/zinc/01/89/65/1129018965.db2.gz OXNWWFRQDCOILO-LBPRGKRZSA-N 0 1 269.385 3.570 20 0 CHADMN Clc1ccccc1-c1cc(-c2nc(C3CC3)no2)[nH]n1 ZINC000345953750 1121933171 /nfs/dbraw/zinc/93/31/71/1121933171.db2.gz PIUUVGNVQMNXPI-UHFFFAOYSA-N 0 1 286.722 3.658 20 0 CHADMN CC(C)N(CCc1ccccc1)Cc1cc(F)ncc1F ZINC001180153120 1121959152 /nfs/dbraw/zinc/95/91/52/1121959152.db2.gz GICAGQJQYCFRBJ-UHFFFAOYSA-N 0 1 290.357 3.813 20 0 CHADMN c1cc(NC[C@H]2CCCOC2)cc2nc3n(c12)CCCCC3 ZINC000419746070 1121964909 /nfs/dbraw/zinc/96/49/09/1121964909.db2.gz VLYQNYLVRPSAON-CQSZACIVSA-N 0 1 299.418 3.601 20 0 CHADMN COc1cc2ccccc2cc1CN1CCSC[C@@H]1C ZINC001180233763 1121966811 /nfs/dbraw/zinc/96/68/11/1121966811.db2.gz ICPWGCAKLNYNAH-ZDUSSCGKSA-N 0 1 287.428 3.786 20 0 CHADMN C[C@@H]1CCN(Cc2cn(C3CC3)cn2)[C@@H]2CCCC[C@H]12 ZINC001180275011 1121967227 /nfs/dbraw/zinc/96/72/27/1121967227.db2.gz DFFPGXYRJOFOAP-KBRIMQKVSA-N 0 1 273.424 3.619 20 0 CHADMN CCC[C@H](CC1CCCC1)C(=O)NCc1cc(CC)[nH]n1 ZINC000733260314 1121970543 /nfs/dbraw/zinc/97/05/43/1121970543.db2.gz DTWBDSSUFSAAMO-CQSZACIVSA-N 0 1 291.439 3.585 20 0 CHADMN Cc1[nH]ncc1CNc1cc(C)c(Br)c(F)c1 ZINC000419830195 1121971087 /nfs/dbraw/zinc/97/10/87/1121971087.db2.gz FVHLSNTVCFLIFH-UHFFFAOYSA-N 0 1 298.159 3.540 20 0 CHADMN CC[C@H]1CN(Cc2cc3ccccc3c(OC)c2)C[C@H](C)O1 ZINC001180281237 1121974618 /nfs/dbraw/zinc/97/46/18/1121974618.db2.gz ZMKOMCHLJYOJBH-YOEHRIQHSA-N 0 1 299.414 3.848 20 0 CHADMN CCCOc1ccc(CN2C[C@H](C)O[C@@H](CC)C2)c(C)c1 ZINC001180279945 1121975021 /nfs/dbraw/zinc/97/50/21/1121975021.db2.gz FARFOYNXUSGJGR-RDJZCZTQSA-N 0 1 291.435 3.783 20 0 CHADMN COc1nccc(CN2CCCC3(CCCCC3)C2)c1F ZINC001180296434 1121977596 /nfs/dbraw/zinc/97/75/96/1121977596.db2.gz HBIFRBCLIWUGDB-UHFFFAOYSA-N 0 1 292.398 3.776 20 0 CHADMN Cc1nn(-c2cccc(F)c2)cc1CN1CC2(C1)CCCC2 ZINC000414438134 1121980099 /nfs/dbraw/zinc/98/00/99/1121980099.db2.gz DAYKGAZUGDFINX-UHFFFAOYSA-N 0 1 299.393 3.696 20 0 CHADMN COc1cnc(F)c(C[N@H+]2CCCCC[C@@H]2C(C)C)c1 ZINC001180331651 1121980204 /nfs/dbraw/zinc/98/02/04/1121980204.db2.gz ITBDHSRNSYPWNY-OAHLLOKOSA-N 0 1 280.387 3.630 20 0 CHADMN CCc1ncc(CN2CCC[C@H]2/C=C\c2ccccc2)cn1 ZINC000414438480 1121981431 /nfs/dbraw/zinc/98/14/31/1121981431.db2.gz VHOXENLFWCEQSI-LENZSSGSSA-N 0 1 293.414 3.717 20 0 CHADMN CN(Cc1nc(-c2cccc(Cl)c2)no1)C1CCCC1 ZINC000501477184 1121982635 /nfs/dbraw/zinc/98/26/35/1121982635.db2.gz IGZFBLJAJHDMKC-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN CC[C@@H]1C[C@@H](N[C@@H](C)c2nc3ccccc3s2)CO1 ZINC000688522622 1129022801 /nfs/dbraw/zinc/02/28/01/1129022801.db2.gz GCLJDPKXJNYTLM-QJPTWQEYSA-N 0 1 276.405 3.514 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2CCCc3c(O)cccc32)s1 ZINC000631708452 1129022856 /nfs/dbraw/zinc/02/28/56/1129022856.db2.gz OGSKWZJOSBFTOE-QMTHXVAHSA-N 0 1 288.416 3.885 20 0 CHADMN CC(C)[C@H](C)[N@@H+](Cc1ccc([O-])c(F)c1F)C1CC1 ZINC001180488303 1121991406 /nfs/dbraw/zinc/99/14/06/1121991406.db2.gz IALOJYVMSSQMQA-JTQLQIEISA-N 0 1 269.335 3.679 20 0 CHADMN Cc1ccc(CN(C)[C@@H](c2ccc(F)cc2)C(C)C)nn1 ZINC000414450535 1122000571 /nfs/dbraw/zinc/00/05/71/1122000571.db2.gz XVRSVQXBNXAJKG-QGZVFWFLSA-N 0 1 287.382 3.753 20 0 CHADMN CC(C)n1cc([C@H](C)NCc2cccc3c2NCCC3)cn1 ZINC000894250023 1122000589 /nfs/dbraw/zinc/00/05/89/1122000589.db2.gz CPVFUAXBOSPGCY-AWEZNQCLSA-N 0 1 298.434 3.673 20 0 CHADMN COc1cc(CN2CC[C@@H](C)C(C)(C)C2)c(Cl)cc1O ZINC001180672452 1122004480 /nfs/dbraw/zinc/00/44/80/1122004480.db2.gz HTXKXCKBGQVYNK-LLVKDONJSA-N 0 1 297.826 3.922 20 0 CHADMN CCOC(=O)CCCCc1cc(Cl)c(O)c(Cl)c1 ZINC001249981037 1122005663 /nfs/dbraw/zinc/00/56/63/1122005663.db2.gz HHCPQISXJWGFIK-UHFFFAOYSA-N 0 1 291.174 3.975 20 0 CHADMN C[C@H]1CCN(Cc2coc(-c3ccc(F)cc3)n2)C[C@H]1C ZINC000501774855 1122008594 /nfs/dbraw/zinc/00/85/94/1122008594.db2.gz LAVFDQOKOWVERF-QWHCGFSZSA-N 0 1 288.366 3.959 20 0 CHADMN C[C@H]1CN(Cc2ccc(Oc3ccccc3)nn2)CC[C@@H]1C ZINC000501791893 1122009348 /nfs/dbraw/zinc/00/93/48/1122009348.db2.gz HQNRIIOTNDHYIO-GJZGRUSLSA-N 0 1 297.402 3.747 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Oc3ccccc3)nn2)C[C@H]1C ZINC000501791895 1122010360 /nfs/dbraw/zinc/01/03/60/1122010360.db2.gz HQNRIIOTNDHYIO-LSDHHAIUSA-N 0 1 297.402 3.747 20 0 CHADMN CCC(CC)n1ccc(CN2CC[C@H](C)[C@H](C)C2)n1 ZINC000501797117 1122010559 /nfs/dbraw/zinc/01/05/59/1122010559.db2.gz WEIMCSDFPPZZRJ-UONOGXRCSA-N 0 1 263.429 3.722 20 0 CHADMN Fc1ccc2c(c1)CCN(Cc1cccc3c1CCC3)C2 ZINC001180788352 1122013364 /nfs/dbraw/zinc/01/33/64/1122013364.db2.gz WUTBQVHDQWRRNU-UHFFFAOYSA-N 0 1 281.374 3.873 20 0 CHADMN Fc1ccc2c(c1)OCCC[C@@H]2N[C@@H]1C[C@H]1C(F)(F)F ZINC000631754214 1129027919 /nfs/dbraw/zinc/02/79/19/1129027919.db2.gz BKAZCTHYDKLJAZ-GRYCIOLGSA-N 0 1 289.272 3.580 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1ccc(C)o1)CCS2 ZINC000631729719 1129025199 /nfs/dbraw/zinc/02/51/99/1129025199.db2.gz HWJOOPWXYBUVAM-OAHLLOKOSA-N 0 1 289.400 3.923 20 0 CHADMN C[C@H]1CN(CCSC2CCCCC2)C[C@H](C2CC2)O1 ZINC000501876006 1122020945 /nfs/dbraw/zinc/02/09/45/1122020945.db2.gz LWJMIBLVFPRQIH-XJKSGUPXSA-N 0 1 283.481 3.552 20 0 CHADMN Cc1occc1CN1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000414461245 1122023229 /nfs/dbraw/zinc/02/32/29/1122023229.db2.gz DFKWBHGNVCGJBI-JOYOIKCWSA-N 0 1 261.287 3.751 20 0 CHADMN Cc1occc1CN1CC(Cc2ccc(F)c(F)c2)C1 ZINC000414461392 1122023242 /nfs/dbraw/zinc/02/32/42/1122023242.db2.gz ONLCSTOOAKBHHR-UHFFFAOYSA-N 0 1 277.314 3.541 20 0 CHADMN C[C@@H](CC1CCC1)N[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000631738048 1129025869 /nfs/dbraw/zinc/02/58/69/1129025869.db2.gz DJSNDLPRNQZFEJ-SCLBCKFNSA-N 0 1 299.393 3.873 20 0 CHADMN C[C@H](CC1CCC1)N[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000631738437 1129025939 /nfs/dbraw/zinc/02/59/39/1129025939.db2.gz METDIXVJAPXTMH-WBMJQRKESA-N 0 1 287.382 3.807 20 0 CHADMN CC[C@@]1(C)COCCN1C[C@@H](C)c1cccc(Cl)c1 ZINC001181065319 1122031115 /nfs/dbraw/zinc/03/11/15/1122031115.db2.gz JTJIPOWOFYZGFX-CJNGLKHVSA-N 0 1 281.827 3.944 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H]2C[C@H](Sc3ccccc3)C2)c2nccn21 ZINC000631739297 1129027088 /nfs/dbraw/zinc/02/70/88/1129027088.db2.gz LCUKPEQPUSGPMZ-RRCSTGOVSA-N 0 1 299.443 3.802 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CC[C@H](C2CCCC2)C1 ZINC000420961093 1122051448 /nfs/dbraw/zinc/05/14/48/1122051448.db2.gz IBFNHTWVOFJYSY-FZMZJTMJSA-N 0 1 275.396 3.520 20 0 CHADMN C[N@@H+](Cc1ccc(O)c(F)c1)[C@@H]1CCC(C)(C)C1 ZINC001181410936 1122052074 /nfs/dbraw/zinc/05/20/74/1122052074.db2.gz UMDATYVCUSRJAG-GFCCVEGCSA-N 0 1 251.345 3.542 20 0 CHADMN C[N@H+](Cc1ccc([O-])c(F)c1)[C@@H]1CCC(C)(C)C1 ZINC001181410936 1122052080 /nfs/dbraw/zinc/05/20/80/1122052080.db2.gz UMDATYVCUSRJAG-GFCCVEGCSA-N 0 1 251.345 3.542 20 0 CHADMN C[N@@H+](Cc1ccc([O-])c(F)c1)[C@@H]1CCC(C)(C)C1 ZINC001181410936 1122052083 /nfs/dbraw/zinc/05/20/83/1122052083.db2.gz UMDATYVCUSRJAG-GFCCVEGCSA-N 0 1 251.345 3.542 20 0 CHADMN COc1cccc(CNC(C)(C)c2ccc(F)cc2)c1F ZINC000192679087 1129028308 /nfs/dbraw/zinc/02/83/08/1129028308.db2.gz ZGPIUSGGOXBCPB-UHFFFAOYSA-N 0 1 291.341 3.998 20 0 CHADMN CC(C)c1noc(CN2CC[C@@H](c3ccccc3)C2(C)C)n1 ZINC000421008500 1122055585 /nfs/dbraw/zinc/05/55/85/1122055585.db2.gz AYASBNLFLLIYMG-HNNXBMFYSA-N 0 1 299.418 3.961 20 0 CHADMN Cc1cccnc1CN[C@@H](CC(F)F)c1ccccc1 ZINC000420996658 1122058982 /nfs/dbraw/zinc/05/89/82/1122058982.db2.gz QTLHCILQMOAZOA-AWEZNQCLSA-N 0 1 276.330 3.876 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631756885 1129028910 /nfs/dbraw/zinc/02/89/10/1129028910.db2.gz QRJVSLPHIRGPMR-YUSALJHKSA-N 0 1 273.298 3.605 20 0 CHADMN C[C@@H](CC12CC3CC(CC(C3)C1)C2)NCC(F)F ZINC001181590109 1122065102 /nfs/dbraw/zinc/06/51/02/1122065102.db2.gz NVSCAPOGKPTDRD-OWWVKFPZSA-N 0 1 257.368 3.836 20 0 CHADMN CCCCC[C@H](N[C@@H](C)c1cnnn1C)c1ccccc1 ZINC000924929387 1122066799 /nfs/dbraw/zinc/06/67/99/1122066799.db2.gz FWOFNBLQFOSXRX-HOCLYGCPSA-N 0 1 286.423 3.787 20 0 CHADMN Oc1ccc(CN2Cc3ccccc3C3(CCC3)C2)cc1F ZINC001181654556 1122068455 /nfs/dbraw/zinc/06/84/55/1122068455.db2.gz DEOVFMADMUURLK-UHFFFAOYSA-N 0 1 297.373 3.969 20 0 CHADMN COc1ccc(C)cc1CNCc1cnccc1C(C)(C)C ZINC000414495334 1122068829 /nfs/dbraw/zinc/06/88/29/1122068829.db2.gz GVGKOXZYUSPRGP-UHFFFAOYSA-N 0 1 298.430 3.986 20 0 CHADMN CCC[C@@H](CN1CC[C@H]1c1ccc(Cl)cc1)OC ZINC001181708595 1122070857 /nfs/dbraw/zinc/07/08/57/1122070857.db2.gz YDRSGMCKURJXAF-GJZGRUSLSA-N 0 1 267.800 3.902 20 0 CHADMN Cc1c(Cl)c(CN2CCCC23CCCCC3)nn1C ZINC000421325287 1122094598 /nfs/dbraw/zinc/09/45/98/1122094598.db2.gz ZCIHUEOCOOCZGD-UHFFFAOYSA-N 0 1 281.831 3.681 20 0 CHADMN COc1cnccc1CN1CCC[C@H]1c1ccc(C)cc1 ZINC001206473313 1122097894 /nfs/dbraw/zinc/09/78/94/1122097894.db2.gz IPXAWCZOEFBVMY-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN Cc1nn(C)c(CN2CCC3(CCCC3)CC2)c1Cl ZINC001181985939 1122100480 /nfs/dbraw/zinc/10/04/80/1122100480.db2.gz IOYXVDFOZRWOLP-UHFFFAOYSA-N 0 1 281.831 3.538 20 0 CHADMN Cc1cc(CN(C(C)C)[C@H](C)c2ccsc2)n(C)n1 ZINC000421378233 1122105078 /nfs/dbraw/zinc/10/50/78/1122105078.db2.gz UYMDBIJNDGYSQG-CYBMUJFWSA-N 0 1 277.437 3.762 20 0 CHADMN Cc1cc(CNCc2ccccc2OC(C)C)cc(C)n1 ZINC000421386002 1122108369 /nfs/dbraw/zinc/10/83/69/1122108369.db2.gz QUXDFYVRYFUOKO-UHFFFAOYSA-N 0 1 284.403 3.775 20 0 CHADMN C[C@@H]1[C@H](C(=O)[O-])CCC[N@H+]1Cc1cccc2ccccc21 ZINC000263084718 1129033146 /nfs/dbraw/zinc/03/31/46/1129033146.db2.gz SKFSWOPJLHTICT-CZUORRHYSA-N 0 1 283.371 3.525 20 0 CHADMN COc1cccc2cc([C@@H](C)N[C@H](C)c3ccnn3C)oc21 ZINC000774110085 1122128949 /nfs/dbraw/zinc/12/89/49/1122128949.db2.gz OATBVWSLNWKCND-VXGBXAGGSA-N 0 1 299.374 3.587 20 0 CHADMN Cc1cc(C(=O)CN(C)[C@@H]2CC[C@H](C)C2)c(C)n1C1CC1 ZINC000429591638 1122141670 /nfs/dbraw/zinc/14/16/70/1122141670.db2.gz OOCKGEJIXRGEPC-BLLLJJGKSA-N 0 1 288.435 3.743 20 0 CHADMN CSCC[C@H](C)N1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001258226905 1129034502 /nfs/dbraw/zinc/03/45/02/1129034502.db2.gz SIRYPSPCKYWOGG-XJKSGUPXSA-N 0 1 297.439 3.515 20 0 CHADMN CCc1nc(CN(C(CC)CC)C2CC2)cs1 ZINC000620119208 1129034949 /nfs/dbraw/zinc/03/49/49/1129034949.db2.gz KHAYZSLKMLEPEN-UHFFFAOYSA-N 0 1 252.427 3.859 20 0 CHADMN CCOc1cccc(CN2CCc3ccccc3[C@H]2C)n1 ZINC000353400336 1122156934 /nfs/dbraw/zinc/15/69/34/1122156934.db2.gz FFXBZIKSDSSDFY-CQSZACIVSA-N 0 1 282.387 3.600 20 0 CHADMN C[C@@H](CN[C@H](C)c1csnn1)CC1CCCCC1 ZINC000414555929 1122158322 /nfs/dbraw/zinc/15/83/22/1122158322.db2.gz XUWIIQCDMIAMTN-VXGBXAGGSA-N 0 1 267.442 3.795 20 0 CHADMN C[C@@H](CCC1CCCCC1)NCc1ncnn1C(C)(C)C ZINC000503115617 1122167336 /nfs/dbraw/zinc/16/73/36/1122167336.db2.gz DVZFROKTYHBYBG-AWEZNQCLSA-N 0 1 292.471 3.872 20 0 CHADMN CCCN[C@H](C)c1nc(C2CCCCCCC2)no1 ZINC000159154735 1122171734 /nfs/dbraw/zinc/17/17/34/1122171734.db2.gz KGHVTLYOYLRNDV-GFCCVEGCSA-N 0 1 265.401 3.958 20 0 CHADMN CC1(C)c2ccccc2CC[N@@H+]1C[C@@H]1CC1(Cl)Cl ZINC001182508356 1122172063 /nfs/dbraw/zinc/17/20/63/1122172063.db2.gz LTBXHUNVHCLDLP-LBPRGKRZSA-N 0 1 284.230 3.974 20 0 CHADMN Fc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCc2c[nH]nc21 ZINC000271747292 1122173933 /nfs/dbraw/zinc/17/39/33/1122173933.db2.gz WVJPIBGEPSGZKX-HOTGVXAUSA-N 0 1 285.366 3.593 20 0 CHADMN Fc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCc2c[nH]nc21 ZINC000271747287 1122174099 /nfs/dbraw/zinc/17/40/99/1122174099.db2.gz WVJPIBGEPSGZKX-CVEARBPZSA-N 0 1 285.366 3.593 20 0 CHADMN FC(F)(F)c1ccccc1CN[C@@H]1CCCc2c[nH]nc21 ZINC000271775353 1122174932 /nfs/dbraw/zinc/17/49/32/1122174932.db2.gz CNFMZULOXCMDOD-CYBMUJFWSA-N 0 1 295.308 3.596 20 0 CHADMN Cc1ccccc1[C@H](NCc1ccn(C)n1)C(C)(C)C ZINC000271767485 1122175520 /nfs/dbraw/zinc/17/55/20/1122175520.db2.gz AQCNOXVAJOEMDP-INIZCTEOSA-N 0 1 271.408 3.606 20 0 CHADMN C[C@H](NCc1cccc(N(C)C)c1)c1cccc(F)c1F ZINC000271795216 1122177086 /nfs/dbraw/zinc/17/70/86/1122177086.db2.gz NZFAQEXFHCATCQ-LBPRGKRZSA-N 0 1 290.357 3.882 20 0 CHADMN c1nc2c([nH]1)C1(CCC1)N(CCC1CCCCC1)CC2 ZINC001182595324 1122178361 /nfs/dbraw/zinc/17/83/61/1122178361.db2.gz RYOFRWMWHMXUOQ-UHFFFAOYSA-N 0 1 273.424 3.617 20 0 CHADMN Cc1ccsc1[C@@H](C)NCc1ccc(Cl)cn1 ZINC000271828600 1122178401 /nfs/dbraw/zinc/17/84/01/1122178401.db2.gz DJCOCTSWQSTJGF-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1oc2ccccc2c1CN[C@H]1CCCc2c[nH]nc21 ZINC000271873993 1122180239 /nfs/dbraw/zinc/18/02/39/1122180239.db2.gz YRDLTKXWACGEIU-HNNXBMFYSA-N 0 1 281.359 3.632 20 0 CHADMN C[C@@H](NCc1ccc(Cl)cn1)c1ccc2c(c1)COC2 ZINC000271891755 1122181072 /nfs/dbraw/zinc/18/10/72/1122181072.db2.gz SCVYMZWNJXAESR-LLVKDONJSA-N 0 1 288.778 3.616 20 0 CHADMN CO[C@@H](c1ccccc1F)[C@H](C)NCc1ccc(C)o1 ZINC000271948707 1122184072 /nfs/dbraw/zinc/18/40/72/1122184072.db2.gz CXKXHVSYTZBADA-BLLLJJGKSA-N 0 1 277.339 3.593 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cccc(Cl)c2)nc1 ZINC000272054294 1122189125 /nfs/dbraw/zinc/18/91/25/1122189125.db2.gz QWTWRERORLFYAK-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN CCCc1ccc(CN2C[C@H](C)OCC23CCC3)s1 ZINC001206543748 1122194687 /nfs/dbraw/zinc/19/46/87/1122194687.db2.gz DYWNNAYTKJWKDX-ZDUSSCGKSA-N 0 1 279.449 3.844 20 0 CHADMN Oc1ccc2c(c1)[C@H](NCc1coc3ccccc13)CC2 ZINC001182960486 1122197174 /nfs/dbraw/zinc/19/71/74/1122197174.db2.gz SECWQUYGSYKYGK-QGZVFWFLSA-N 0 1 279.339 3.916 20 0 CHADMN COc1c(O)cccc1CN(C)[C@@H](C)c1ccccc1 ZINC000272300439 1122197733 /nfs/dbraw/zinc/19/77/33/1122197733.db2.gz PQPHLXNNIZEHAV-ZDUSSCGKSA-N 0 1 271.360 3.594 20 0 CHADMN CCCCCC(C)(C)CNC(=O)[C@H]1CCCCN1CC ZINC001182932121 1122198565 /nfs/dbraw/zinc/19/85/65/1122198565.db2.gz WPPSAJNCTLXSQD-OAHLLOKOSA-N 0 1 282.472 3.584 20 0 CHADMN COCC[C@H](NCc1cc(F)ccc1C)c1ccc(C)o1 ZINC000272348748 1122198708 /nfs/dbraw/zinc/19/87/08/1122198708.db2.gz UTUYGCSUGAHQGJ-INIZCTEOSA-N 0 1 291.366 3.903 20 0 CHADMN COCC[C@@H](NCc1cc(F)ccc1C)c1ccc(C)o1 ZINC000272348751 1122198716 /nfs/dbraw/zinc/19/87/16/1122198716.db2.gz UTUYGCSUGAHQGJ-MRXNPFEDSA-N 0 1 291.366 3.903 20 0 CHADMN COc1cccc(C2(N[C@H](C)c3cnn(C(C)C)c3)CC2)c1 ZINC000272342746 1122198816 /nfs/dbraw/zinc/19/88/16/1122198816.db2.gz ZVJOJRKXIBPCKW-CQSZACIVSA-N 0 1 299.418 3.813 20 0 CHADMN CCOc1ccc(CN2CC(Cc3cccc(C)c3)C2)o1 ZINC001183024824 1122202493 /nfs/dbraw/zinc/20/24/93/1122202493.db2.gz PQJWNSFWYBJFEL-UHFFFAOYSA-N 0 1 285.387 3.661 20 0 CHADMN C[C@@H](NCc1ccnc(F)c1)c1nccc2ccccc21 ZINC001183144646 1122207349 /nfs/dbraw/zinc/20/73/49/1122207349.db2.gz AWIIWQGQMAYCQN-GFCCVEGCSA-N 0 1 281.334 3.620 20 0 CHADMN C/C=C\C[C@H]1CCCN(Cc2c(Cl)n[nH]c2CC)C1 ZINC001183171497 1122209688 /nfs/dbraw/zinc/20/96/88/1122209688.db2.gz VMQFVTSMACUXBW-FHMRSRPSSA-N 0 1 281.831 3.804 20 0 CHADMN CSC[C@H](C)C(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001183214765 1122211103 /nfs/dbraw/zinc/21/11/03/1122211103.db2.gz QZISNIRYVBQRMF-LURJTMIESA-N 0 1 294.203 3.637 20 0 CHADMN Cc1ccc(NC(=O)c2cn[nH]c2C(C)C)c(Cl)c1 ZINC000630408454 1122220544 /nfs/dbraw/zinc/22/05/44/1122220544.db2.gz NDJJOTCXZFEDGZ-UHFFFAOYSA-N 0 1 277.755 3.747 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1CN1CCO[C@@](C)(C(F)(F)F)C1 ZINC001183419050 1122222878 /nfs/dbraw/zinc/22/28/78/1122222878.db2.gz HEMRDNJGIPIJOR-BFHYXJOUSA-N 0 1 291.357 3.632 20 0 CHADMN Cc1cc(CN2CC([C@@H]3CCC[C@H](C)C3)C2)sn1 ZINC001183443306 1122223376 /nfs/dbraw/zinc/22/33/76/1122223376.db2.gz HYBABSVNQNTPFP-WCQYABFASA-N 0 1 264.438 3.710 20 0 CHADMN COc1cc(C)c([C@H](C)NCc2c(C)noc2C)cc1C ZINC000273210246 1122224821 /nfs/dbraw/zinc/22/48/21/1122224821.db2.gz SZEFOJUSHOUWAG-LBPRGKRZSA-N 0 1 288.391 3.768 20 0 CHADMN CCOc1c(Cl)cccc1CN1CC[C@H](CF)C1 ZINC001183520790 1122225816 /nfs/dbraw/zinc/22/58/16/1122225816.db2.gz RAPOPCYDABLLIB-LLVKDONJSA-N 0 1 271.763 3.530 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cncs2)ccc1Cl ZINC000273447973 1122232644 /nfs/dbraw/zinc/23/26/44/1122232644.db2.gz OAZYGRXBOGDSDB-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN Oc1cccc(CN2CCC[C@H]2c2cccc(F)c2)c1 ZINC000153510315 1129040722 /nfs/dbraw/zinc/04/07/22/1129040722.db2.gz ZIOMNZHYLHNQBE-KRWDZBQOSA-N 0 1 271.335 3.868 20 0 CHADMN O=C(Cc1cc(Cl)c(O)cc1F)c1ccc(F)cc1 ZINC001250136163 1122246527 /nfs/dbraw/zinc/24/65/27/1122246527.db2.gz AUMJKLNQRNIVSQ-UHFFFAOYSA-N 0 1 282.673 3.749 20 0 CHADMN CC(C)[C@H]1CN(Cc2ccc(Cl)c(F)c2)CCCO1 ZINC000645273106 1122257249 /nfs/dbraw/zinc/25/72/49/1122257249.db2.gz WWBPAFCHODFCCY-OAHLLOKOSA-N 0 1 285.790 3.726 20 0 CHADMN Fc1ccc(CCN2CC(Cc3ccoc3)C2)c(Cl)c1 ZINC001184197347 1122258850 /nfs/dbraw/zinc/25/88/50/1122258850.db2.gz NJVNKZMICIYBLO-UHFFFAOYSA-N 0 1 293.769 3.789 20 0 CHADMN CC[C@@H]1CN(CCCOc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000600696128 1122263740 /nfs/dbraw/zinc/26/37/40/1122263740.db2.gz OMRVBPBUAJDMIE-UKRRQHHQSA-N 0 1 297.826 3.608 20 0 CHADMN CN(Cc1cccnc1)Cc1ccc2c(c1)CCCC2 ZINC000430068852 1122275316 /nfs/dbraw/zinc/27/53/16/1122275316.db2.gz UGVZZMDSSIIEPB-UHFFFAOYSA-N 0 1 266.388 3.592 20 0 CHADMN CC1(C)CC[C@@H](CNCc2c(F)cccc2Cl)OC1 ZINC000711293455 1122280018 /nfs/dbraw/zinc/28/00/18/1122280018.db2.gz DPTYIRVJAFOLLI-NSHDSACASA-N 0 1 285.790 3.774 20 0 CHADMN COC1(C[C@@H](C)Nc2ccc(CN(C)C)c(F)c2)CCC1 ZINC000760018452 1122280925 /nfs/dbraw/zinc/28/09/25/1122280925.db2.gz VLXQSPQNCQHYMR-CYBMUJFWSA-N 0 1 294.414 3.647 20 0 CHADMN Cc1cccc2nc(NC(=O)[C@H]3CCC[C@@H](C)C3)[nH]c21 ZINC001184504115 1122281362 /nfs/dbraw/zinc/28/13/62/1122281362.db2.gz SNEAIMJKJOQKDL-PWSUYJOCSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1cccc2nc(NC(=O)[C@H]3CCC[C@H](C)C3)[nH]c21 ZINC001184504114 1122281673 /nfs/dbraw/zinc/28/16/73/1122281673.db2.gz SNEAIMJKJOQKDL-JQWIXIFHSA-N 0 1 271.364 3.636 20 0 CHADMN FC[C@@H]1CCCN(Cc2sccc2Br)C1 ZINC000711511101 1122298399 /nfs/dbraw/zinc/29/83/99/1122298399.db2.gz UTTSYQADPUNDCU-VIFPVBQESA-N 0 1 292.217 3.692 20 0 CHADMN c1ccc2c(c1)SC[C@@H]2NCc1cccc2c1NCCC2 ZINC000894280841 1122284694 /nfs/dbraw/zinc/28/46/94/1122284694.db2.gz PGOVQXKNKRPBFF-INIZCTEOSA-N 0 1 296.439 3.981 20 0 CHADMN COC(=O)c1csc(CN2CC=C(C(C)(C)C)CC2)c1 ZINC000711460819 1122294611 /nfs/dbraw/zinc/29/46/11/1122294611.db2.gz XFQILFIWJVTLNU-UHFFFAOYSA-N 0 1 293.432 3.713 20 0 CHADMN CO[C@H](CSc1nc2ccc(Cl)cc2[nH]1)C1CC1 ZINC000424062978 1122299894 /nfs/dbraw/zinc/29/98/94/1122299894.db2.gz IFUANLNNCHOULM-GFCCVEGCSA-N 0 1 282.796 3.733 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1C[C@H](C)C[C@H](C)C1 ZINC000075608106 1122305743 /nfs/dbraw/zinc/30/57/43/1122305743.db2.gz NOIUSTISXIXGAA-TUAOUCFPSA-N 0 1 291.420 3.837 20 0 CHADMN CC(C)c1nnc(CNCC(C)(C)c2ccccc2)s1 ZINC000774816484 1122313272 /nfs/dbraw/zinc/31/32/72/1122313272.db2.gz OLTSOOLRGPDPBR-UHFFFAOYSA-N 0 1 289.448 3.729 20 0 CHADMN O=C(Nc1ccc(F)c(F)c1)Nc1cccc(Cl)c1O ZINC001185090082 1122314692 /nfs/dbraw/zinc/31/46/92/1122314692.db2.gz SEOSPTZIRHXCKW-UHFFFAOYSA-N 0 1 298.676 3.968 20 0 CHADMN CCOc1cc(CN2CCC[C@@H](C)C2)cc(Cl)c1OC ZINC000505327204 1122355575 /nfs/dbraw/zinc/35/55/75/1122355575.db2.gz RPEGQIYFOCBHBM-GFCCVEGCSA-N 0 1 297.826 3.979 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@@H](C)C1CCCCC1 ZINC000620371981 1129054213 /nfs/dbraw/zinc/05/42/13/1129054213.db2.gz SAFAHOYIGNOVOG-GFCCVEGCSA-N 0 1 291.439 3.788 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)NC/C=C/Cl ZINC000774980813 1122378500 /nfs/dbraw/zinc/37/85/00/1122378500.db2.gz KKGCGZZUVDKBHR-LZGFCCKTSA-N 0 1 253.773 3.877 20 0 CHADMN C=Cc1ccc(C(=O)Nc2nc(Cl)cc3[nH]cnc32)cc1 ZINC001186499925 1122394585 /nfs/dbraw/zinc/39/45/85/1122394585.db2.gz TVCDVVHJHUFFPK-UHFFFAOYSA-N 0 1 298.733 3.507 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)N[C@@H]3C[C@H](C)[C@H]3C)n2)cc1 ZINC000430087875 1122397923 /nfs/dbraw/zinc/39/79/23/1122397923.db2.gz VIINELTVISDFPN-RSUWNVLCSA-N 0 1 299.418 3.994 20 0 CHADMN C[C@@]12CCN(Cc3cc4ccc(F)cc4[nH]3)C[C@@H]1C2(F)F ZINC000430093442 1122402080 /nfs/dbraw/zinc/40/20/80/1122402080.db2.gz FEMZMMGEUDDSFB-LSDHHAIUSA-N 0 1 294.320 3.784 20 0 CHADMN Cc1ccc2nc(CN3CC4(CCC4)[C@@H]3C(C)C)cn2c1 ZINC000430097032 1122403186 /nfs/dbraw/zinc/40/31/86/1122403186.db2.gz GIIVBTWYIROAJS-KRWDZBQOSA-N 0 1 283.419 3.653 20 0 CHADMN Cc1ccc2nc(CN3CC4(CCC4)[C@H]3C(C)C)cn2c1 ZINC000430097034 1122403588 /nfs/dbraw/zinc/40/35/88/1122403588.db2.gz GIIVBTWYIROAJS-QGZVFWFLSA-N 0 1 283.419 3.653 20 0 CHADMN Cc1ccc(CNCc2cc(C)cc(Cl)n2)cc1 ZINC000281977914 1122418875 /nfs/dbraw/zinc/41/88/75/1122418875.db2.gz KMFQNCBPAWUSJZ-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN c1cnc2c(c1)cccc2CSc1nc(C2CC2)n[nH]1 ZINC000141686318 1122422265 /nfs/dbraw/zinc/42/22/65/1122422265.db2.gz KWIMAQUXSKBPKJ-UHFFFAOYSA-N 0 1 282.372 3.523 20 0 CHADMN c1cnc2c(c1)cccc2CSc1n[nH]c(C2CC2)n1 ZINC000141686318 1122422270 /nfs/dbraw/zinc/42/22/70/1122422270.db2.gz KWIMAQUXSKBPKJ-UHFFFAOYSA-N 0 1 282.372 3.523 20 0 CHADMN Cc1ccc(CN(C)[C@H](C)C2(C)CC2)c(Cl)n1 ZINC000688613098 1129053639 /nfs/dbraw/zinc/05/36/39/1129053639.db2.gz TVTOEWCTYPNLHQ-LLVKDONJSA-N 0 1 252.789 3.664 20 0 CHADMN COc1cccc(CN2CC[C@H]2c2ccccc2)c1OC ZINC000434978159 1122425424 /nfs/dbraw/zinc/42/54/24/1122425424.db2.gz MFPIPRTYMFYQEC-INIZCTEOSA-N 0 1 283.371 3.651 20 0 CHADMN COCCOc1cccc(CN2CC[C@H]2c2ccccc2)c1 ZINC000434984414 1122425463 /nfs/dbraw/zinc/42/54/63/1122425463.db2.gz ADNPPVUNMUQYRC-IBGZPJMESA-N 0 1 297.398 3.659 20 0 CHADMN CCCCCCN[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000193118742 1129053725 /nfs/dbraw/zinc/05/37/25/1129053725.db2.gz XLDFXQBBMFSXIZ-NSHDSACASA-N 0 1 253.390 3.598 20 0 CHADMN COCCOc1ccc(CN2CC[C@@H]2c2ccccc2)cc1 ZINC000434987361 1122426090 /nfs/dbraw/zinc/42/60/90/1122426090.db2.gz TYSCDXBUCHTTEE-LJQANCHMSA-N 0 1 297.398 3.659 20 0 CHADMN c1ccc([C@@H]2CCN2CC2=Cc3ccccc3OC2)cc1 ZINC000434985304 1122426455 /nfs/dbraw/zinc/42/64/55/1122426455.db2.gz HVLKKOGHQOZANH-SFHVURJKSA-N 0 1 277.367 3.909 20 0 CHADMN Cc1ccccc1O[C@H]1CCCN(Cc2ccco2)C1 ZINC001203278378 1122426595 /nfs/dbraw/zinc/42/65/95/1122426595.db2.gz MGPCFZAWQCXGSU-INIZCTEOSA-N 0 1 271.360 3.631 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@H](C)C1CCCCC1 ZINC000620371982 1129054019 /nfs/dbraw/zinc/05/40/19/1129054019.db2.gz SAFAHOYIGNOVOG-LBPRGKRZSA-N 0 1 291.439 3.788 20 0 CHADMN CC(C)C(C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1)C(C)C ZINC000514612150 1122432056 /nfs/dbraw/zinc/43/20/56/1122432056.db2.gz UJAOCOYJOITZBE-GOSISDBHSA-N 0 1 291.435 3.694 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2cnc(C)cn2)cc1 ZINC000505605690 1122434760 /nfs/dbraw/zinc/43/47/60/1122434760.db2.gz DVAHUBGLCAHTGA-SFHVURJKSA-N 0 1 297.402 3.521 20 0 CHADMN C[C@@H]1CN(Cc2ccc(-c3cc[nH]n3)o2)[C@@H]1c1ccccc1 ZINC000435128219 1122437022 /nfs/dbraw/zinc/43/70/22/1122437022.db2.gz GCYJBSHSDDTHMM-ACJLOTCBSA-N 0 1 293.370 3.863 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc3c(C)cccn23)cc1 ZINC000505615817 1122438623 /nfs/dbraw/zinc/43/86/23/1122438623.db2.gz VJAPBQBQYBQCJR-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(C(F)(F)F)cc1 ZINC000505630715 1122444194 /nfs/dbraw/zinc/44/41/94/1122444194.db2.gz DUUUSNZMMSOXFC-BXUZGUMPSA-N 0 1 287.325 3.705 20 0 CHADMN Cc1ccccc1-c1cc(C(=O)N2CCCC[C@@H](C)C2)n[nH]1 ZINC001187970615 1122447903 /nfs/dbraw/zinc/44/79/03/1122447903.db2.gz QFMZLZMPEPJMOV-CYBMUJFWSA-N 0 1 297.402 3.647 20 0 CHADMN Cc1ccccc1-c1cc(C(=O)N(C)C[C@@H]2CC2(C)C)n[nH]1 ZINC001187971587 1122448188 /nfs/dbraw/zinc/44/81/88/1122448188.db2.gz LBDBFFIFJGXOHT-ZDUSSCGKSA-N 0 1 297.402 3.503 20 0 CHADMN C[C@@H]1CC[C@@H](CO)CN1Cc1c(Cl)cccc1Cl ZINC000135776236 1122451382 /nfs/dbraw/zinc/45/13/82/1122451382.db2.gz USHCIGFMUMLKGU-GHMZBOCLSA-N 0 1 288.218 3.586 20 0 CHADMN CC(C)c1cccc(CN2CCOC[C@@H]2C(C)C)c1 ZINC001237460313 1129055840 /nfs/dbraw/zinc/05/58/40/1129055840.db2.gz MZDFXBRHWSNQGR-QGZVFWFLSA-N 0 1 261.409 3.667 20 0 CHADMN CC(C)n1cncc1CN1CCCCC[C@H]1c1ccncc1 ZINC000425330784 1122454884 /nfs/dbraw/zinc/45/48/84/1122454884.db2.gz YJBDGQTXQMXLKA-SFHVURJKSA-N 0 1 298.434 3.976 20 0 CHADMN CCc1nc(CN(C)CC2Cc3ccccc3C2)cs1 ZINC000514897545 1122461442 /nfs/dbraw/zinc/46/14/42/1122461442.db2.gz WRKZIRQKJSXYLJ-UHFFFAOYSA-N 0 1 286.444 3.552 20 0 CHADMN Cc1nccc(N2CCC[C@@H]([C@@H]3CCCCO3)C2)c1Cl ZINC000664489983 1122470808 /nfs/dbraw/zinc/47/08/08/1122470808.db2.gz VAHFTZOJYBKMLO-HIFRSBDPSA-N 0 1 294.826 3.829 20 0 CHADMN CN(Cc1cccc(Cl)c1)Cc1cccc(F)c1N ZINC000156352637 1122472622 /nfs/dbraw/zinc/47/26/22/1122472622.db2.gz YTESDWNZGDUCBA-UHFFFAOYSA-N 0 1 278.758 3.693 20 0 CHADMN C[C@@H](SCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1 ZINC001188692506 1122473283 /nfs/dbraw/zinc/47/32/83/1122473283.db2.gz XHLAMGHDROKGRW-MGPQQGTHSA-N 0 1 297.439 3.729 20 0 CHADMN C[C@H](SCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC001188692507 1122473354 /nfs/dbraw/zinc/47/33/54/1122473354.db2.gz XHLAMGHDROKGRW-MJBXVCDLSA-N 0 1 297.439 3.729 20 0 CHADMN C[C@H](SCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC001188692507 1122473356 /nfs/dbraw/zinc/47/33/56/1122473356.db2.gz XHLAMGHDROKGRW-MJBXVCDLSA-N 0 1 297.439 3.729 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc2n[nH]cc2c1)c1ccoc1 ZINC000515079044 1122474774 /nfs/dbraw/zinc/47/47/74/1122474774.db2.gz PVDXIAZRFRBXDT-QWRGUYRKSA-N 0 1 255.321 3.568 20 0 CHADMN CC(C)[C@H]1CCC[C@@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC000505708427 1122477443 /nfs/dbraw/zinc/47/74/43/1122477443.db2.gz ZMPAFIYCAWKSAW-QWHCGFSZSA-N 0 1 285.391 3.508 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C[C@H]1C=CCCC1 ZINC000515194744 1122482562 /nfs/dbraw/zinc/48/25/62/1122482562.db2.gz VOCGPZUDFPAPMU-LBPRGKRZSA-N 0 1 269.348 3.556 20 0 CHADMN Cc1c(F)cccc1NC(=O)Nc1c(O)cc(F)cc1F ZINC001189052447 1122487300 /nfs/dbraw/zinc/48/73/00/1122487300.db2.gz ZBACSKBIDOUOOX-UHFFFAOYSA-N 0 1 296.248 3.762 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2c2ccc[nH]2)cc1F ZINC000435769315 1122488406 /nfs/dbraw/zinc/48/84/06/1122488406.db2.gz VPDJBIYDMLPNEG-INIZCTEOSA-N 0 1 258.340 3.799 20 0 CHADMN CCc1ccc(C[N@@H+]2CCCN(Cc3ccccc3)CC2)o1 ZINC000435774027 1122488610 /nfs/dbraw/zinc/48/86/10/1122488610.db2.gz OEQXDQOEGDIHRS-UHFFFAOYSA-N 0 1 298.430 3.550 20 0 CHADMN CCc1ccnc(CN[C@H](CC)c2ccccc2)c1 ZINC000435777470 1122489431 /nfs/dbraw/zinc/48/94/31/1122489431.db2.gz IRNXRSIYDWETPT-QGZVFWFLSA-N 0 1 254.377 3.885 20 0 CHADMN CCC1(c2nc(-c3ccn4cncc4c3)no2)CCCC1 ZINC000515340842 1122493449 /nfs/dbraw/zinc/49/34/49/1122493449.db2.gz OJPHQVHDIQUNFO-UHFFFAOYSA-N 0 1 282.347 3.606 20 0 CHADMN Fc1ccc(C2CC2)cc1CNCc1ccc2[nH]cnc2c1 ZINC000515420290 1122498411 /nfs/dbraw/zinc/49/84/11/1122498411.db2.gz AVMQKWPLOOEDKB-UHFFFAOYSA-N 0 1 295.361 3.869 20 0 CHADMN CC(C)C[C@@H](C(=O)NOC1CCCC1)c1ccccc1 ZINC000775274865 1122507924 /nfs/dbraw/zinc/50/79/24/1122507924.db2.gz BYZAGJAQACGJHZ-MRXNPFEDSA-N 0 1 275.392 3.807 20 0 CHADMN COC[C@@H](NCc1cc2c(cccc2F)[nH]1)c1ccccc1 ZINC000436246208 1122526135 /nfs/dbraw/zinc/52/61/35/1122526135.db2.gz YGTXLJDELXZXER-GOSISDBHSA-N 0 1 298.361 3.784 20 0 CHADMN Cc1cnc(CN(C)Cc2cccc3ccccc32)cn1 ZINC000505780603 1122527776 /nfs/dbraw/zinc/52/77/76/1122527776.db2.gz ARKVIPVYEZKTAM-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN CC1=CCCN([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000436263430 1122530042 /nfs/dbraw/zinc/53/00/42/1122530042.db2.gz SGRQPIQALJQOKP-HNNXBMFYSA-N 0 1 294.398 3.819 20 0 CHADMN Cc1cnc(CN[C@@H]2CCCC[C@H]2OCCC(C)C)s1 ZINC000436269988 1122532099 /nfs/dbraw/zinc/53/20/99/1122532099.db2.gz MODSGNWXLJNHJP-HUUCEWRRSA-N 0 1 296.480 3.915 20 0 CHADMN COC(=O)c1ccc(F)c(CN(CCC(C)C)C2CC2)c1 ZINC001190325970 1122533662 /nfs/dbraw/zinc/53/36/62/1122533662.db2.gz VPGHGRUCBVVJPI-UHFFFAOYSA-N 0 1 293.382 3.623 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](NCCF)CCCO2 ZINC000436294241 1122534265 /nfs/dbraw/zinc/53/42/65/1122534265.db2.gz FXRYAPYECVCHOH-CQSZACIVSA-N 0 1 251.345 3.583 20 0 CHADMN FCCN[C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000436300411 1122535008 /nfs/dbraw/zinc/53/50/08/1122535008.db2.gz UVIWAMPVTBPCBG-CQSZACIVSA-N 0 1 263.356 3.772 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccc(C)cc2)sn1 ZINC001190367423 1122536591 /nfs/dbraw/zinc/53/65/91/1122536591.db2.gz ZDGABFJMUIMPGT-CYBMUJFWSA-N 0 1 260.406 3.953 20 0 CHADMN CCCCN(C/C=C(/C)C(=O)OC)[C@@H](C)c1ccc(C)o1 ZINC001190589363 1122546044 /nfs/dbraw/zinc/54/60/44/1122546044.db2.gz OBPHDTMJPXLFKA-WVUXNXBLSA-N 0 1 293.407 3.870 20 0 CHADMN CCN(Cc1ccccc1F)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001190627569 1122548894 /nfs/dbraw/zinc/54/88/94/1122548894.db2.gz ISONTWWCAQJVBE-RDJZCZTQSA-N 0 1 277.383 3.605 20 0 CHADMN COc1ccc2c(c1)CN(Cc1csc(C)c1)CC2 ZINC001190707451 1122551471 /nfs/dbraw/zinc/55/14/71/1122551471.db2.gz IKXNNQCTHMWKJA-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN CN(Cc1ccn(-c2ccccc2)n1)CC1CC(C)(C)C1 ZINC001190699666 1122551841 /nfs/dbraw/zinc/55/18/41/1122551841.db2.gz LRXAFZXUXCKKRH-UHFFFAOYSA-N 0 1 283.419 3.740 20 0 CHADMN CC[C@H](C)[C@@H](C)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001190790822 1122555135 /nfs/dbraw/zinc/55/51/35/1122555135.db2.gz FFRQPPNLWIIQGF-WOSRLPQWSA-N 0 1 265.372 3.634 20 0 CHADMN CCCCN(CCOC)Cc1cccc(Cl)c1F ZINC001190846207 1122557367 /nfs/dbraw/zinc/55/73/67/1122557367.db2.gz JMYTYSKXPGVGOO-UHFFFAOYSA-N 0 1 273.779 3.728 20 0 CHADMN CC[C@H](C)C1CCC(NC(=O)c2ccn3cncc3c2)CC1 ZINC001151909160 1122563249 /nfs/dbraw/zinc/56/32/49/1122563249.db2.gz NAWCXWCAABJDGW-HLIUYOAVSA-N 0 1 299.418 3.669 20 0 CHADMN O=C(N[C@@H]1C=CCCC1)c1c(O)cc(Cl)cc1Cl ZINC000436582403 1122564040 /nfs/dbraw/zinc/56/40/40/1122564040.db2.gz HWRGMXOPPYARLX-SECBINFHSA-N 0 1 286.158 3.538 20 0 CHADMN Cc1cccc(Cl)c1CN1CCS[C@H](C)[C@@H]1C ZINC001191022246 1122565210 /nfs/dbraw/zinc/56/52/10/1122565210.db2.gz RSPLJRMXMMRLHE-NWDGAFQWSA-N 0 1 269.841 3.974 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C[C@H](C)C(C)C)c1 ZINC000436660070 1122570783 /nfs/dbraw/zinc/57/07/83/1122570783.db2.gz UDKLTBRJKBDAES-NSHDSACASA-N 0 1 277.364 3.606 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@H]2CC23CCCCC3)c1 ZINC000436682617 1122571350 /nfs/dbraw/zinc/57/13/50/1122571350.db2.gz VVQFZTSDEYZNPY-CYBMUJFWSA-N 0 1 287.359 3.504 20 0 CHADMN Cc1ccc(CN(C)C(C)C)c(Br)c1 ZINC000505866746 1122573581 /nfs/dbraw/zinc/57/35/81/1122573581.db2.gz ASKMZOUBYBJVAJ-UHFFFAOYSA-N 0 1 256.187 3.598 20 0 CHADMN CC[C@@H]1CCC[C@H](C)N1C(=O)c1cccc2[nH]c(C)nc21 ZINC000620577905 1129063880 /nfs/dbraw/zinc/06/38/80/1129063880.db2.gz QYOAOPNVXMEJSG-WCQYABFASA-N 0 1 285.391 3.665 20 0 CHADMN COc1cc(F)c(CNCc2cscc2C)cc1OC ZINC000516300808 1122585513 /nfs/dbraw/zinc/58/55/13/1122585513.db2.gz DIWUARUKWLTCPQ-UHFFFAOYSA-N 0 1 295.379 3.503 20 0 CHADMN C[C@H]1CN(C(=O)c2ccc(O)c(Cl)c2)CC(C)(C)C1 ZINC000436839320 1122588367 /nfs/dbraw/zinc/58/83/67/1122588367.db2.gz TZDKFGHDDHJJAN-SNVBAGLBSA-N 0 1 281.783 3.554 20 0 CHADMN Oc1cccnc1C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000516347269 1122591169 /nfs/dbraw/zinc/59/11/69/1122591169.db2.gz SBIZLIJHZDYYGM-GOSISDBHSA-N 0 1 294.398 3.829 20 0 CHADMN CCCCC[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000620566623 1129064865 /nfs/dbraw/zinc/06/48/65/1129064865.db2.gz LZVZWYDDYLTHRK-GOEBONIOSA-N 0 1 291.439 3.550 20 0 CHADMN O=C(Nc1ccccn1)Nc1cc(Cl)c(O)cc1Cl ZINC001191334731 1122594289 /nfs/dbraw/zinc/59/42/89/1122594289.db2.gz FJMZDCZZRCYZOH-UHFFFAOYSA-N 0 1 298.129 3.738 20 0 CHADMN Cc1ncoc1CN[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000894323324 1122595742 /nfs/dbraw/zinc/59/57/42/1122595742.db2.gz CYYITJUNOYFKMA-MGPLVRAMSA-N 0 1 274.339 3.535 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000436934847 1122597144 /nfs/dbraw/zinc/59/71/44/1122597144.db2.gz UMIMEICCYZQRPR-GFCCVEGCSA-N 0 1 295.810 3.944 20 0 CHADMN CC[C@H]1CCCN(Cc2c(F)ccc(C)c2F)C1 ZINC001191407834 1122597443 /nfs/dbraw/zinc/59/74/43/1122597443.db2.gz KGNBABJSVSALGS-LBPRGKRZSA-N 0 1 253.336 3.895 20 0 CHADMN Cc1ccccc1[C@H]1CCC[N@H+]1Cc1occc1C(=O)[O-] ZINC000516479849 1122603892 /nfs/dbraw/zinc/60/38/92/1122603892.db2.gz ZRARYKBDYNPGRX-OAHLLOKOSA-N 0 1 285.343 3.623 20 0 CHADMN CC(C)N(C)c1ccccc1CN[C@@H](C)c1ccco1 ZINC000437075252 1122609700 /nfs/dbraw/zinc/60/97/00/1122609700.db2.gz FZMQDKSIYUOFMD-AWEZNQCLSA-N 0 1 272.392 3.975 20 0 CHADMN CCN(Cc1cccc(F)c1Br)C(C)C ZINC000158017403 1122616981 /nfs/dbraw/zinc/61/69/81/1122616981.db2.gz UQEBHRYSYDDZIQ-UHFFFAOYSA-N 0 1 274.177 3.819 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(F)cc2C)cc1F ZINC000506008725 1122623612 /nfs/dbraw/zinc/62/36/12/1122623612.db2.gz FGIJRDAKSBVWPG-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN CCOc1cc(CN2CCC=C(C)C2)ccc1OC(F)F ZINC000437352091 1122629433 /nfs/dbraw/zinc/62/94/33/1122629433.db2.gz LNFBQLCNAAKZNH-UHFFFAOYSA-N 0 1 297.345 3.839 20 0 CHADMN CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(O)c(Cl)c1 ZINC000620575621 1129067198 /nfs/dbraw/zinc/06/71/98/1129067198.db2.gz DAUJSXVPIUXXJZ-CMPLNLGQSA-N 0 1 281.783 3.839 20 0 CHADMN c1ccc2c(c1)CC[C@]21C[N@@H+](CCC2CCCC2)CCO1 ZINC001192253418 1122634651 /nfs/dbraw/zinc/63/46/51/1122634651.db2.gz SRCYESVPWYLXTO-IBGZPJMESA-N 0 1 285.431 3.741 20 0 CHADMN Cc1cnccc1[NH+]=C([O-])Nc1ccccc1C(C)C ZINC001192218008 1122635983 /nfs/dbraw/zinc/63/59/83/1122635983.db2.gz UOEJOJWQNDEVQO-UHFFFAOYSA-N 0 1 269.348 3.579 20 0 CHADMN CCN(Cc1cnc2cc(C)ccn12)Cc1cccc(F)c1 ZINC000506055006 1122636541 /nfs/dbraw/zinc/63/65/41/1122636541.db2.gz GQBHOHUZLLMWEA-UHFFFAOYSA-N 0 1 297.377 3.804 20 0 CHADMN C[C@H]1CN(Cc2cccc(Cl)c2F)CC[C@@H]1C ZINC001192261836 1122637396 /nfs/dbraw/zinc/63/73/96/1122637396.db2.gz JRYIGJZEYBGSJH-QWRGUYRKSA-N 0 1 255.764 3.957 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(Cl)c2F)C[C@@H]1C ZINC001192261835 1122637558 /nfs/dbraw/zinc/63/75/58/1122637558.db2.gz JRYIGJZEYBGSJH-MNOVXSKESA-N 0 1 255.764 3.957 20 0 CHADMN CN1CC2(C1)CCCN(C(=O)CCCCCC(C)(C)C)C2 ZINC001270238085 1122644538 /nfs/dbraw/zinc/64/45/38/1122644538.db2.gz LDPINZRIZSWQKK-UHFFFAOYSA-N 0 1 294.483 3.537 20 0 CHADMN C[C@@H](CN1CCn2cccc2[C@H]1C)c1ccc(F)cc1 ZINC000437582052 1122643760 /nfs/dbraw/zinc/64/37/60/1122643760.db2.gz QMTOOKRIOJTSFX-UONOGXRCSA-N 0 1 272.367 3.808 20 0 CHADMN C[C@@H](c1ccc2c(c1)CCC2)N1CC[C@@H](C)[C@H](F)C1 ZINC001192545777 1122651818 /nfs/dbraw/zinc/65/18/18/1122651818.db2.gz GXCSJGYDSQWKJW-IIYDPXPESA-N 0 1 261.384 3.916 20 0 CHADMN CC(C)c1nc(CN[C@H](C)c2cc(Cl)ccc2F)n[nH]1 ZINC001192575624 1122651975 /nfs/dbraw/zinc/65/19/75/1122651975.db2.gz VHIPSSDOSDIGKC-SECBINFHSA-N 0 1 296.777 3.571 20 0 CHADMN CCO[C@@H](C)c1noc(C[N@H+]2CCCCC[C@H]2C(C)C)n1 ZINC001192654069 1122654026 /nfs/dbraw/zinc/65/40/26/1122654026.db2.gz UQDSSVQBLXEUNQ-KBPBESRZSA-N 0 1 295.427 3.568 20 0 CHADMN CCO[C@@H](C)c1noc(CN2CCCCC[C@H]2C(C)C)n1 ZINC001192654069 1122654029 /nfs/dbraw/zinc/65/40/29/1122654029.db2.gz UQDSSVQBLXEUNQ-KBPBESRZSA-N 0 1 295.427 3.568 20 0 CHADMN CC[C@H]1CC[C@H](C(=O)Nc2cccc(-c3nnc[nH]3)c2)CC1 ZINC000438020032 1122671993 /nfs/dbraw/zinc/67/19/93/1122671993.db2.gz BZGGNDUNOFLAHX-JOCQHMNTSA-N 0 1 298.390 3.627 20 0 CHADMN Cc1csc(CN[C@@H](CC(F)(F)F)C(C)C)n1 ZINC000438482069 1122702276 /nfs/dbraw/zinc/70/22/76/1122702276.db2.gz AAOFAIZMXANMSO-VIFPVBQESA-N 0 1 266.332 3.518 20 0 CHADMN C[C@@H]1CC[C@H]1N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000438073173 1122673604 /nfs/dbraw/zinc/67/36/04/1122673604.db2.gz KITUKFIKYDNWLJ-KCPJHIHWSA-N 0 1 289.810 3.551 20 0 CHADMN CC(C)CO[C@H]1CCN(Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438111921 1122679165 /nfs/dbraw/zinc/67/91/65/1122679165.db2.gz CQTLPHQVNMKTGW-AWEZNQCLSA-N 0 1 290.382 3.554 20 0 CHADMN CCCC[C@H](CC)CN(CC(=O)OCC)C1CCC1 ZINC001193188433 1122682279 /nfs/dbraw/zinc/68/22/79/1122682279.db2.gz KKPWILVTDWNZNC-AWEZNQCLSA-N 0 1 269.429 3.620 20 0 CHADMN OCC[C@H](NCc1ccc(Cl)s1)c1cccs1 ZINC001193240621 1122682315 /nfs/dbraw/zinc/68/23/15/1122682315.db2.gz VRDOIAMXSATQNO-JTQLQIEISA-N 0 1 287.837 3.676 20 0 CHADMN Brc1ccc2c(c1)CCN(CCC1CCC1)C2 ZINC001193346369 1122684934 /nfs/dbraw/zinc/68/49/34/1122684934.db2.gz RBGUUYLIOVYPIZ-UHFFFAOYSA-N 0 1 294.236 3.997 20 0 CHADMN CC(C)CCc1noc([C@@H]2CCCN2C2CCCC2)n1 ZINC000438245962 1122688117 /nfs/dbraw/zinc/68/81/17/1122688117.db2.gz XYDPNKOQAPWGCO-AWEZNQCLSA-N 0 1 277.412 3.738 20 0 CHADMN C[C@@H]1CN(Cc2cc3ccccc3s2)[C@H](C)[C@@H](C)O1 ZINC000438349940 1122692246 /nfs/dbraw/zinc/69/22/46/1122692246.db2.gz CQSUDGGCYUAFTR-JHJVBQTASA-N 0 1 275.417 3.899 20 0 CHADMN CN(Cc1ccc(-c2ccccc2)cc1F)CC1(CO)CC1 ZINC000438339625 1122692372 /nfs/dbraw/zinc/69/23/72/1122692372.db2.gz NNOBRBWBMSEGCC-UHFFFAOYSA-N 0 1 299.389 3.697 20 0 CHADMN COc1ncccc1-c1nc2cc(C)c(Cl)cc2[nH]1 ZINC001250516951 1122694053 /nfs/dbraw/zinc/69/40/53/1122694053.db2.gz CFHCRTHBNGCWTE-UHFFFAOYSA-N 0 1 273.723 3.595 20 0 CHADMN Cc1oc2ccccc2c1CN1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000438364673 1122694450 /nfs/dbraw/zinc/69/44/50/1122694450.db2.gz OPZHXQOXBGRLCN-XQQFMLRXSA-N 0 1 273.376 3.739 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)[C@H](C)[C@H](C)O1 ZINC000438367646 1122694700 /nfs/dbraw/zinc/69/47/00/1122694700.db2.gz OPDBHOWUJCHQDI-UTUOFQBUSA-N 0 1 287.325 3.703 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)[C@@H](C)[C@@H](C)O1 ZINC000438366497 1122695050 /nfs/dbraw/zinc/69/50/50/1122695050.db2.gz WTISRRIDWSOBOG-OWCLPIDISA-N 0 1 296.414 3.746 20 0 CHADMN Cc1cc(Br)c2c(c1)CN(CC1CC1)CC2 ZINC001193617070 1122701307 /nfs/dbraw/zinc/70/13/07/1122701307.db2.gz RDBNKOMGFYLLRW-UHFFFAOYSA-N 0 1 280.209 3.526 20 0 CHADMN CCCc1cccc(CN[C@H](C)c2ccncc2OC)c1 ZINC000438470688 1122702344 /nfs/dbraw/zinc/70/23/44/1122702344.db2.gz JOKDTFQQYMPXDX-CQSZACIVSA-N 0 1 284.403 3.894 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1cc2c(cccc2F)[nH]1 ZINC000438477223 1122703501 /nfs/dbraw/zinc/70/35/01/1122703501.db2.gz KVANYBCERLRATG-LLVKDONJSA-N 0 1 299.349 3.561 20 0 CHADMN CCc1nn(C)cc1CN[C@H](C)c1cc2ccc(C)cc2o1 ZINC000426064826 1122712142 /nfs/dbraw/zinc/71/21/42/1122712142.db2.gz WJUSCXVEQCMFKW-CYBMUJFWSA-N 0 1 297.402 3.888 20 0 CHADMN C[C@@H]1C[C@@H](NC(=O)c2ccc(F)c(O)c2F)CC(C)(C)C1 ZINC001193793248 1122716987 /nfs/dbraw/zinc/71/69/87/1122716987.db2.gz MJLIGOXBWHYOBU-NXEZZACHSA-N 0 1 297.345 3.615 20 0 CHADMN CCc1oc2ccccc2c1CN1CCO[C@@H](CC)C1 ZINC000506326744 1122718125 /nfs/dbraw/zinc/71/81/25/1122718125.db2.gz MQUWGSGDDVPGSY-ZDUSSCGKSA-N 0 1 273.376 3.606 20 0 CHADMN CC(C)(C)c1ccc(CN2CCSCC2)s1 ZINC000506343128 1122722262 /nfs/dbraw/zinc/72/22/62/1122722262.db2.gz PVOCHLUQWFPKEA-UHFFFAOYSA-N 0 1 255.452 3.594 20 0 CHADMN CN(CCN1CC[C@@](F)(c2ccccc2)C1)c1ccccc1 ZINC001193826587 1122722445 /nfs/dbraw/zinc/72/24/45/1122722445.db2.gz FMGHZBXILNSKPZ-IBGZPJMESA-N 0 1 298.405 3.694 20 0 CHADMN CC(C)=CCCN1CCC(C)=C(Br)C1 ZINC001193880150 1122723855 /nfs/dbraw/zinc/72/38/55/1122723855.db2.gz AGNZEADZBAVFKQ-UHFFFAOYSA-N 0 1 258.203 3.717 20 0 CHADMN Cc1nc2ccccn2c1CN1CCc2cccc(C)c2C1 ZINC000429601916 1122727010 /nfs/dbraw/zinc/72/70/10/1122727010.db2.gz XFEAATJWKYDVGJ-UHFFFAOYSA-N 0 1 291.398 3.509 20 0 CHADMN C[C@@H](C1CC1)N(Cc1ccccc1)Cn1cccnc1=S ZINC000193385927 1129073951 /nfs/dbraw/zinc/07/39/51/1129073951.db2.gz PQIVBOJPLFFTDZ-AWEZNQCLSA-N 0 1 299.443 3.871 20 0 CHADMN Cc1cc(C)cc(CN2CCO[C@@H](C(C)(C)C)C2)c1 ZINC001194010094 1122738264 /nfs/dbraw/zinc/73/82/64/1122738264.db2.gz SLNRNKIRPDTUMW-MRXNPFEDSA-N 0 1 261.409 3.550 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H](C)c1cn(C)cn1)C1CC1 ZINC000925043230 1122741337 /nfs/dbraw/zinc/74/13/37/1122741337.db2.gz BYGSJSNSMMQTOO-SUMWQHHRSA-N 0 1 269.392 3.530 20 0 CHADMN Cc1cccc(C)c1OCCCN1CC(C)(C)OC[C@@H]1C ZINC001194082428 1122746333 /nfs/dbraw/zinc/74/63/33/1122746333.db2.gz HZYAALYFEZRNFM-INIZCTEOSA-N 0 1 291.435 3.572 20 0 CHADMN Cc1nnsc1CN[C@H](c1ccc(F)c(F)c1)C(C)C ZINC000426300570 1122759406 /nfs/dbraw/zinc/75/94/06/1122759406.db2.gz HDDBSYDGOYUJFJ-AWEZNQCLSA-N 0 1 297.374 3.612 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1c(C)cccc1C ZINC000002008571 1122764308 /nfs/dbraw/zinc/76/43/08/1122764308.db2.gz OQUNZPJPAWEBDX-UHFFFAOYSA-N 0 1 276.424 3.754 20 0 CHADMN CCCc1nc(C)c(CN[C@H](c2cccnc2)C2CCC2)o1 ZINC000426328227 1122765253 /nfs/dbraw/zinc/76/52/53/1122765253.db2.gz BMOYPBKLEGDEQC-SFHVURJKSA-N 0 1 299.418 3.962 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1cn2ccccc2n1 ZINC000518562296 1122768167 /nfs/dbraw/zinc/76/81/67/1122768167.db2.gz FEZFJGWHXUANIJ-WMLDXEAASA-N 0 1 291.398 3.981 20 0 CHADMN CC(C)(C)COC(=O)Nc1cccc(Cl)c1O ZINC001194384099 1122769951 /nfs/dbraw/zinc/76/99/51/1122769951.db2.gz VOBIFTVBXUKJHL-UHFFFAOYSA-N 0 1 257.717 3.640 20 0 CHADMN Cc1ccnc(CN2CC[C@H](c3ccccc3)C[C@H]2C)n1 ZINC000439334838 1122770998 /nfs/dbraw/zinc/77/09/98/1122770998.db2.gz YMDCHJFMHKIWCN-WBVHZDCISA-N 0 1 281.403 3.553 20 0 CHADMN S=c1ncccn1CN1CCC[C@H]1CCc1ccccc1 ZINC000193425597 1129076827 /nfs/dbraw/zinc/07/68/27/1129076827.db2.gz DJXLQDUNHZILKT-INIZCTEOSA-N 0 1 299.443 3.667 20 0 CHADMN CCCc1csc(CN(CC)CCC2CC2)n1 ZINC000426357697 1122773458 /nfs/dbraw/zinc/77/34/58/1122773458.db2.gz RYQBYYCDGZJRAS-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN Cc1nc2ccc(CN(C)Cc3cccnc3)cc2s1 ZINC000426368527 1122775411 /nfs/dbraw/zinc/77/54/11/1122775411.db2.gz YZJRJVXBPNERGU-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN C[C@@H]1CCN(Cc2cc(F)cc(Cl)c2)CCS1 ZINC000426369406 1122776295 /nfs/dbraw/zinc/77/62/95/1122776295.db2.gz DYVKORXDJIAVHW-SNVBAGLBSA-N 0 1 273.804 3.807 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2)CCS1 ZINC000426369406 1122776294 /nfs/dbraw/zinc/77/62/94/1122776294.db2.gz DYVKORXDJIAVHW-SNVBAGLBSA-N 0 1 273.804 3.807 20 0 CHADMN C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000506562869 1122777148 /nfs/dbraw/zinc/77/71/48/1122777148.db2.gz QLMIJUTUNGMDCW-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)Cc1ccc2c(c1)CCO2 ZINC000506562869 1122777152 /nfs/dbraw/zinc/77/71/52/1122777152.db2.gz QLMIJUTUNGMDCW-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1cnn2ccccc12 ZINC000426377707 1122778138 /nfs/dbraw/zinc/77/81/38/1122778138.db2.gz NXQQGFAUCZKDNU-FOWTUZBSSA-N 0 1 291.398 3.870 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1cncs1 ZINC000426381559 1122778241 /nfs/dbraw/zinc/77/82/41/1122778241.db2.gz NTROUWZKBISPGN-MDWZMJQESA-N 0 1 258.390 3.678 20 0 CHADMN Cc1noc(C)c1CN[C@H]1C[C@H](C)c2ccccc21 ZINC000289102604 1129077360 /nfs/dbraw/zinc/07/73/60/1129077360.db2.gz CGGMZFGGIAVPHX-QFYYESIMSA-N 0 1 256.349 3.630 20 0 CHADMN C[C@@H]1CCc2nc(CN3CCS[C@@H](C)CC3)sc2C1 ZINC000426383217 1122780056 /nfs/dbraw/zinc/78/00/56/1122780056.db2.gz AFBXPKTVIFKRBZ-NEPJUHHUSA-N 0 1 296.505 3.595 20 0 CHADMN CC[C@H](C)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000153779057 1129077525 /nfs/dbraw/zinc/07/75/25/1129077525.db2.gz DBINMGKGTIODLB-ZETCQYMHSA-N 0 1 285.269 3.566 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H]1c2ccccc2CC[C@@H]1C ZINC000296989828 1122784853 /nfs/dbraw/zinc/78/48/53/1122784853.db2.gz SIIIRBWICMTOLL-ZQIUZPCESA-N 0 1 283.419 3.877 20 0 CHADMN CC(C)N(CCc1cc(Cl)cc(Cl)c1)C1COC1 ZINC001194598634 1122785368 /nfs/dbraw/zinc/78/53/68/1122785368.db2.gz CPEJUVMHYGCPIM-UHFFFAOYSA-N 0 1 288.218 3.645 20 0 CHADMN CSC[C@H]1CCCN(Cc2c(F)ccc(C)c2F)C1 ZINC001194650157 1122788241 /nfs/dbraw/zinc/78/82/41/1122788241.db2.gz WKDLVCWXUNHNOE-LBPRGKRZSA-N 0 1 285.403 3.848 20 0 CHADMN CSC[C@H]1CCC[N@@H+](Cc2c(F)ccc(C)c2F)C1 ZINC001194650157 1122788237 /nfs/dbraw/zinc/78/82/37/1122788237.db2.gz WKDLVCWXUNHNOE-LBPRGKRZSA-N 0 1 285.403 3.848 20 0 CHADMN Cc1nc2ccc(CN(C)Cc3cccc(C)n3)cc2s1 ZINC000426417727 1122788614 /nfs/dbraw/zinc/78/86/14/1122788614.db2.gz TZSMIOXELVAXAH-UHFFFAOYSA-N 0 1 297.427 3.940 20 0 CHADMN COCC(C)(C)CN(C)Cc1ccc(F)cc1Cl ZINC000426422546 1122791441 /nfs/dbraw/zinc/79/14/41/1122791441.db2.gz XAKCZVWDQOAMGC-UHFFFAOYSA-N 0 1 273.779 3.584 20 0 CHADMN CC(C)CCC[C@@H](C)N(CCC(C)C)Cc1ncnn1C ZINC000426448881 1122795307 /nfs/dbraw/zinc/79/53/07/1122795307.db2.gz DZEXJBBHRHCEAZ-MRXNPFEDSA-N 0 1 294.487 3.878 20 0 CHADMN FC(F)n1c2ccccc2nc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000426455225 1122796526 /nfs/dbraw/zinc/79/65/26/1122796526.db2.gz BSAVNRIVMFWSLL-AAEUAGOBSA-N 0 1 291.345 3.806 20 0 CHADMN CCCn1c(C)cc(C(=O)CN2CC[C@H]3CCC[C@@H]32)c1C ZINC000426463079 1122798665 /nfs/dbraw/zinc/79/86/65/1122798665.db2.gz UVLQCQPQZONEFR-WBVHZDCISA-N 0 1 288.435 3.572 20 0 CHADMN Fc1ccc(Br)cc1CN1CC[C@H]2CCC[C@H]21 ZINC000426462169 1122799748 /nfs/dbraw/zinc/79/97/48/1122799748.db2.gz UUNSQODBZAXYIF-QMTHXVAHSA-N 0 1 298.199 3.963 20 0 CHADMN CCn1nc(C)c(CN[C@@H](C)c2ccc(F)c(F)c2)c1C ZINC000307968452 1129079468 /nfs/dbraw/zinc/07/94/68/1129079468.db2.gz XAWIZUPEUHXYSR-JTQLQIEISA-N 0 1 293.361 3.649 20 0 CHADMN CN(Cc1cnc(C2CCC2)s1)[C@@H]1CC1(C)C ZINC000426536173 1122815108 /nfs/dbraw/zinc/81/51/08/1122815108.db2.gz ANSCWEGEXFYFNY-GFCCVEGCSA-N 0 1 250.411 3.641 20 0 CHADMN C=Cn1cc(CN(C)[C@H]2CCCc3cc(OC)ccc32)cn1 ZINC000426550997 1122819262 /nfs/dbraw/zinc/81/92/62/1122819262.db2.gz DMTDEAPWMFHSIN-SFHVURJKSA-N 0 1 297.402 3.502 20 0 CHADMN CN(Cc1c(F)cccc1N1CCCC1)[C@@H]1CC1(C)C ZINC000426558596 1122822232 /nfs/dbraw/zinc/82/22/32/1122822232.db2.gz VRHGONHPRNENAM-MRXNPFEDSA-N 0 1 276.399 3.656 20 0 CHADMN CCOc1cccc(CN(C)[C@@H]2CC2(C)C)c1OC(F)F ZINC000426564811 1122822440 /nfs/dbraw/zinc/82/24/40/1122822440.db2.gz IQTJLRXTWFRQNF-CYBMUJFWSA-N 0 1 299.361 3.917 20 0 CHADMN CN(Cc1ccc(C(F)(F)F)s1)[C@H]1CC1(C)C ZINC000426580263 1122827984 /nfs/dbraw/zinc/82/79/84/1122827984.db2.gz QBFNRLKWZVVKGF-VIFPVBQESA-N 0 1 263.328 3.997 20 0 CHADMN CN(Cc1c[nH]nc1C(C)(C)C)Cc1ccc(Cl)cc1 ZINC000506770898 1122828766 /nfs/dbraw/zinc/82/87/66/1122828766.db2.gz APKUAQRRPMOMCJ-UHFFFAOYSA-N 0 1 291.826 3.993 20 0 CHADMN C[C@@H]1C[C@@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC001250614795 1122836842 /nfs/dbraw/zinc/83/68/42/1122836842.db2.gz JVDLJAMODQSWBX-VDTYLAMSSA-N 0 1 258.218 3.844 20 0 CHADMN COc1cccc([C@H]2C[C@H](C)CN2Cc2[nH]nc(C)c2C)c1 ZINC000894446639 1122853334 /nfs/dbraw/zinc/85/33/34/1122853334.db2.gz XLOIUMXYOIGJSO-KPZWWZAWSA-N 0 1 299.418 3.618 20 0 CHADMN C[C@H]1[C@@H](C)N(Cc2c(Cl)cncc2Cl)C[C@H]1C ZINC001195289125 1122861477 /nfs/dbraw/zinc/86/14/77/1122861477.db2.gz JHAZZBQNROOVBV-OPRDCNLKSA-N 0 1 273.207 3.865 20 0 CHADMN Cn1ncc(CNCc2ccc3sccc3c2)c1C1CC1 ZINC000894531465 1122870083 /nfs/dbraw/zinc/87/00/83/1122870083.db2.gz HZXHKWJGSTTWKV-UHFFFAOYSA-N 0 1 297.427 3.802 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1ocnc1C ZINC000894563542 1122874745 /nfs/dbraw/zinc/87/47/45/1122874745.db2.gz RYFCTTLIMGMAAJ-UKTHLTGXSA-N 0 1 256.349 3.518 20 0 CHADMN COc1ncc(-c2nc3ccc(C(F)F)cc3[nH]2)s1 ZINC001250816907 1122883422 /nfs/dbraw/zinc/88/34/22/1122883422.db2.gz KCPJCQCPEYBJEH-UHFFFAOYSA-N 0 1 281.287 3.633 20 0 CHADMN CCC[C@H](NCc1cn(C)nc1C)c1ccc(F)cc1F ZINC000163225485 1129084242 /nfs/dbraw/zinc/08/42/42/1129084242.db2.gz JYLJXJQEWQERIP-INIZCTEOSA-N 0 1 293.361 3.638 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnn(C)c2C2CC2)ccc1F ZINC000894668119 1122887747 /nfs/dbraw/zinc/88/77/47/1122887747.db2.gz QNFSUPRTDGXFKU-GFCCVEGCSA-N 0 1 287.382 3.596 20 0 CHADMN C[C@H](c1ccc(F)cc1)[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC001195798499 1122889322 /nfs/dbraw/zinc/88/93/22/1122889322.db2.gz OTMNHFXBGWENCT-UONOGXRCSA-N 0 1 277.383 3.920 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1C[C@H](C)OC2(CCCC2)C1 ZINC001195798499 1122889326 /nfs/dbraw/zinc/88/93/26/1122889326.db2.gz OTMNHFXBGWENCT-UONOGXRCSA-N 0 1 277.383 3.920 20 0 CHADMN Cc1cc(CNCc2ccc(C(F)F)c(F)c2)ccn1 ZINC000894678366 1122890926 /nfs/dbraw/zinc/89/09/26/1122890926.db2.gz HHJRDMYLCNYXKE-UHFFFAOYSA-N 0 1 280.293 3.757 20 0 CHADMN CCOc1cc(F)c(CN(C)C(CC)CC)c(F)c1 ZINC001143575649 1122896172 /nfs/dbraw/zinc/89/61/72/1122896172.db2.gz GZXNABJHMXPMOB-UHFFFAOYSA-N 0 1 271.351 3.984 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2NCc1occc1C ZINC000266167932 1129085526 /nfs/dbraw/zinc/08/55/26/1129085526.db2.gz BAWUUUXUWWNYGL-INIZCTEOSA-N 0 1 271.360 3.764 20 0 CHADMN CC(C)Cc1ccc(CN2CCO[C@@](C)(C3CC3)C2)cc1 ZINC001196058360 1122902894 /nfs/dbraw/zinc/90/28/94/1122902894.db2.gz ZXMRYJYSMHVVDQ-LJQANCHMSA-N 0 1 287.447 3.886 20 0 CHADMN Cc1ncoc1CNC[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000894763312 1122903619 /nfs/dbraw/zinc/90/36/19/1122903619.db2.gz YJRYJAFYLYGSNV-ZDUSSCGKSA-N 0 1 288.391 3.664 20 0 CHADMN CC(C)N(C(=O)c1cc(-c2ccccc2)[nH]n1)C1CCCC1 ZINC000112289151 1122906941 /nfs/dbraw/zinc/90/69/41/1122906941.db2.gz HUKTXSACYYZZFN-UHFFFAOYSA-N 0 1 297.402 3.870 20 0 CHADMN CCN(Cc1ccccc1)Cc1cc(OC)ccc1F ZINC000506873208 1122910126 /nfs/dbraw/zinc/91/01/26/1122910126.db2.gz FDPYEIKMRWLULK-UHFFFAOYSA-N 0 1 273.351 3.856 20 0 CHADMN Cc1ccc(CCCN2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1 ZINC001196274288 1122914833 /nfs/dbraw/zinc/91/48/33/1122914833.db2.gz FBPAXLOQZZGJAS-WMLDXEAASA-N 0 1 297.389 3.672 20 0 CHADMN COC1CCC(CNc2ccnc3cc(F)ccc32)CC1 ZINC000426887721 1122921410 /nfs/dbraw/zinc/92/14/10/1122921410.db2.gz YXSWPYZANLXHJM-UHFFFAOYSA-N 0 1 288.366 3.991 20 0 CHADMN COc1nscc1CN1CCC[C@H](C2CCCCC2)C1 ZINC001196410147 1122922438 /nfs/dbraw/zinc/92/24/38/1122922438.db2.gz NMKBFFMROQFERO-AWEZNQCLSA-N 0 1 294.464 3.944 20 0 CHADMN Fc1ccc([C@@H](NCCc2ccco2)c2ccccc2)nc1 ZINC000154396738 1129086982 /nfs/dbraw/zinc/08/69/82/1129086982.db2.gz MWLSXIHOEQIYBP-SFHVURJKSA-N 0 1 296.345 3.735 20 0 CHADMN Clc1cccc(Cl)c1CN(Cc1cnc[nH]1)C1CC1 ZINC000507146448 1122929494 /nfs/dbraw/zinc/92/94/94/1122929494.db2.gz WOVGJCKGECGEQV-UHFFFAOYSA-N 0 1 296.201 3.881 20 0 CHADMN O=c1cc(N=C2CCC(C(F)(F)F)CC2)nc(C2CC2)[nH]1 ZINC001196769210 1122931760 /nfs/dbraw/zinc/93/17/60/1122931760.db2.gz ZUJCDYWLKPCABT-VIFPVBQESA-N 0 1 299.296 3.718 20 0 CHADMN Cc1c(C)c(C)c(CN2CCO[C@@H](CCF)C2)c(C)c1C ZINC001196888032 1122936257 /nfs/dbraw/zinc/93/62/57/1122936257.db2.gz LFPPHNPHYSSZSY-KRWDZBQOSA-N 0 1 293.426 3.789 20 0 CHADMN CCCn1cc(CN(Cc2cccc(F)c2)C(C)C)cn1 ZINC000507176106 1122936284 /nfs/dbraw/zinc/93/62/84/1122936284.db2.gz XJEFPLBIXDZSDC-UHFFFAOYSA-N 0 1 289.398 3.843 20 0 CHADMN CCOc1cccc(CN(C)[C@H](C)c2ccc(C)cc2)n1 ZINC000507199609 1122936566 /nfs/dbraw/zinc/93/65/66/1122936566.db2.gz AUZVRAZZTROVGV-OAHLLOKOSA-N 0 1 284.403 3.982 20 0 CHADMN COCc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1 ZINC000154644447 1129090205 /nfs/dbraw/zinc/09/02/05/1129090205.db2.gz FYHPAXZKBYZULN-UHFFFAOYSA-N 0 1 252.317 3.685 20 0 CHADMN Cc1ccc(C)c([C@H](C)[N@@H+](C)Cc2ccnc(C)n2)c1 ZINC000507189383 1122937369 /nfs/dbraw/zinc/93/73/69/1122937369.db2.gz ASTIUCWCFLQJSS-AWEZNQCLSA-N 0 1 269.392 3.595 20 0 CHADMN Cc1ccc(C)c([C@H](C)N(C)Cc2ccnc(C)n2)c1 ZINC000507189383 1122937371 /nfs/dbraw/zinc/93/73/71/1122937371.db2.gz ASTIUCWCFLQJSS-AWEZNQCLSA-N 0 1 269.392 3.595 20 0 CHADMN CC1=CC[C@@](C)(c2nc(-c3ccn4cncc4c3)no2)CC1 ZINC000664862292 1122941809 /nfs/dbraw/zinc/94/18/09/1122941809.db2.gz GPDPIVQEQHZSOB-QGZVFWFLSA-N 0 1 294.358 3.772 20 0 CHADMN COc1ccc([C@@H]2C[N@@H+](C[C@@H](C)CC(C)C)CCO2)cc1 ZINC001197012278 1122941959 /nfs/dbraw/zinc/94/19/59/1122941959.db2.gz BYIXOSJNAPNPQU-YJBOKZPZSA-N 0 1 291.435 3.751 20 0 CHADMN COc1ccc([C@@H]2CN(C[C@@H](C)CC(C)C)CCO2)cc1 ZINC001197012278 1122941963 /nfs/dbraw/zinc/94/19/63/1122941963.db2.gz BYIXOSJNAPNPQU-YJBOKZPZSA-N 0 1 291.435 3.751 20 0 CHADMN CCc1nocc1CN1CCC[C@H]1c1cccc(F)c1 ZINC000507233710 1122942558 /nfs/dbraw/zinc/94/25/58/1122942558.db2.gz VTZLLIANVMJRTR-INIZCTEOSA-N 0 1 274.339 3.713 20 0 CHADMN Cc1cncc([C@H]2CCCN2Cc2ccccc2F)c1 ZINC001197135347 1122945261 /nfs/dbraw/zinc/94/52/61/1122945261.db2.gz LAGVGLFNWHIVFO-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN COc1ccc(Cl)cc1CN1CC[C@H]1C(C)C ZINC000775762596 1122947177 /nfs/dbraw/zinc/94/71/77/1122947177.db2.gz BEJJLVUOCBTSFS-ZDUSSCGKSA-N 0 1 253.773 3.579 20 0 CHADMN CC(C)c1nn(-c2ccccc2)cc1C[N@@H+](C)C1CCC1 ZINC000353681198 1122954558 /nfs/dbraw/zinc/95/45/58/1122954558.db2.gz LLTVGSOJCPSMMG-UHFFFAOYSA-N 0 1 283.419 3.980 20 0 CHADMN CCc1nc(C)c(CN2CCC(c3cccs3)CC2)[nH]1 ZINC001203242461 1122959385 /nfs/dbraw/zinc/95/93/85/1122959385.db2.gz AWLABPZDPYKXQA-UHFFFAOYSA-N 0 1 289.448 3.722 20 0 CHADMN CCc1nocc1CN[C@@H](C)c1ccc(Cl)cc1 ZINC000647966624 1122966858 /nfs/dbraw/zinc/96/68/58/1122966858.db2.gz AMZVRTBNFCMNSP-JTQLQIEISA-N 0 1 264.756 3.741 20 0 CHADMN FC(F)(F)[C@@H]1C[N@@H+](CC23CCC(CC2)C3)CCS1 ZINC001197818924 1122970545 /nfs/dbraw/zinc/97/05/45/1122970545.db2.gz PXGXQDAWOIENSJ-CXQJBGSLSA-N 0 1 279.371 3.546 20 0 CHADMN Cc1noc([C@@H]2CCCCN2C[C@H]2CCCC(F)(F)C2)n1 ZINC000334265900 1122979161 /nfs/dbraw/zinc/97/91/61/1122979161.db2.gz MXJCHOCRDOIUQW-STQMWFEESA-N 0 1 299.365 3.731 20 0 CHADMN COc1cc(CN(C)CCC2CCCCCC2)sn1 ZINC001198122400 1122981960 /nfs/dbraw/zinc/98/19/60/1122981960.db2.gz IKUZXBLFYJSSJU-UHFFFAOYSA-N 0 1 282.453 3.944 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N[C@@H](C)C2(C)CC2)n1 ZINC001198406047 1122990753 /nfs/dbraw/zinc/99/07/53/1122990753.db2.gz DXZPKIGRLIBBDL-STQMWFEESA-N 0 1 285.391 3.884 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@H+]1C[C@H](O)c1c(F)cccc1F ZINC000729475463 1122992414 /nfs/dbraw/zinc/99/24/14/1122992414.db2.gz VFKNWKGIDLGRIW-UONOGXRCSA-N 0 1 283.362 3.509 20 0 CHADMN Cc1cc(CN2CCC(c3cc(C)cc(C)c3)CC2)nn1C ZINC001198467145 1122993375 /nfs/dbraw/zinc/99/33/75/1122993375.db2.gz ICQSNDNHJUUPNM-UHFFFAOYSA-N 0 1 297.446 3.725 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1cccc(C)c1F ZINC000775866064 1122996168 /nfs/dbraw/zinc/99/61/68/1122996168.db2.gz WFEMPCMCTUSHIC-UHFFFAOYSA-N 0 1 280.387 3.585 20 0 CHADMN CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000775869472 1122997438 /nfs/dbraw/zinc/99/74/38/1122997438.db2.gz VYVIZWAPEDYHHW-RHSMWYFYSA-N 0 1 292.398 3.508 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H]1CSc2ccccc21 ZINC000334372891 1122998796 /nfs/dbraw/zinc/99/87/96/1122998796.db2.gz SEUVJERPZFKIDT-IUODEOHRSA-N 0 1 270.401 3.888 20 0 CHADMN CCOc1ccccc1Cn1c(C)nc2c1CCCC2 ZINC000519783127 1123026246 /nfs/dbraw/zinc/02/62/46/1123026246.db2.gz WREXDVBDQNUVAW-UHFFFAOYSA-N 0 1 270.376 3.517 20 0 CHADMN CCN(Cc1ncc(C(C)(C)C)o1)[C@@H]1CCOC(C)(C)C1 ZINC000519853950 1123031189 /nfs/dbraw/zinc/03/11/89/1123031189.db2.gz ZOWLBINKAIOMLT-CYBMUJFWSA-N 0 1 294.439 3.752 20 0 CHADMN CC[C@H](F)CN(C)Cc1cccc(C(F)(F)F)c1 ZINC000440703223 1123031956 /nfs/dbraw/zinc/03/19/56/1123031956.db2.gz QNKUIOJGMVRBJX-LBPRGKRZSA-N 0 1 263.278 3.885 20 0 CHADMN CC[C@H](NCc1cnc2ccccn12)c1ccccc1OC ZINC000775970940 1123032316 /nfs/dbraw/zinc/03/23/16/1123032316.db2.gz DXGFCPMDALIGJR-INIZCTEOSA-N 0 1 295.386 3.584 20 0 CHADMN Fc1cccc([C@H]2CCN(Cc3ccnc(Cl)c3)C2)c1 ZINC000729481009 1123033395 /nfs/dbraw/zinc/03/33/95/1123033395.db2.gz BFHUAFJPUXYTRW-AWEZNQCLSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1cccc(-c2noc(CN3CCC[C@H](C)CC3)n2)c1 ZINC000519871531 1123033989 /nfs/dbraw/zinc/03/39/89/1123033989.db2.gz TYFMMYYPKQXQJL-ZDUSSCGKSA-N 0 1 285.391 3.667 20 0 CHADMN Clc1ccc(C2(CNCc3ccon3)CCCC2)cc1 ZINC001199689286 1123036165 /nfs/dbraw/zinc/03/61/65/1123036165.db2.gz QMZSRVJPOGSIHE-UHFFFAOYSA-N 0 1 290.794 3.930 20 0 CHADMN Cc1ncsc1CNCc1cccc(OCC(C)C)c1 ZINC001199688451 1123036790 /nfs/dbraw/zinc/03/67/90/1123036790.db2.gz DLFHAMHRNDBPPD-UHFFFAOYSA-N 0 1 290.432 3.776 20 0 CHADMN CC[C@H](F)CN1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000440775931 1123037054 /nfs/dbraw/zinc/03/70/54/1123037054.db2.gz BRBOSNSCTPCACL-GXTWGEPZSA-N 0 1 271.763 3.541 20 0 CHADMN CC[C@H](F)CN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000440781778 1123038688 /nfs/dbraw/zinc/03/86/88/1123038688.db2.gz IVYISBHKZGXQNY-RYUDHWBXSA-N 0 1 294.345 3.894 20 0 CHADMN CC[C@H](F)CN1C[C@H](CC)N(C[C@@H](F)CC)C[C@@H]1CC ZINC000440797391 1123038829 /nfs/dbraw/zinc/03/88/29/1123038829.db2.gz YHJAYDSTGPHERF-VGWMRTNUSA-N 0 1 290.442 3.657 20 0 CHADMN CCOc1ccc(C2=CCN(C[C@H](F)CC)CC2)cc1 ZINC000440783497 1123039909 /nfs/dbraw/zinc/03/99/09/1123039909.db2.gz MGOMDBAZTOKCFZ-MRXNPFEDSA-N 0 1 277.383 3.923 20 0 CHADMN Cc1nccc(N2CCC[C@@H]2c2cccnc2)c1Cl ZINC000334479440 1123041466 /nfs/dbraw/zinc/04/14/66/1123041466.db2.gz SVARHACEQVRYFT-CYBMUJFWSA-N 0 1 273.767 3.780 20 0 CHADMN COC(=O)c1cnc([C@@H](C)NCC2(C)CCCCC2)s1 ZINC000314609700 1123041477 /nfs/dbraw/zinc/04/14/77/1123041477.db2.gz DYNFDVVXBRJDBR-LLVKDONJSA-N 0 1 296.436 3.551 20 0 CHADMN Clc1ncccc1CN[C@@H](c1ccccc1)C1CC1 ZINC000105416250 1123051037 /nfs/dbraw/zinc/05/10/37/1123051037.db2.gz MNBYICNJUSLSIC-HNNXBMFYSA-N 0 1 272.779 3.976 20 0 CHADMN CC[C@@H](NCc1cccnc1Cl)c1ccccc1 ZINC000776115892 1123060888 /nfs/dbraw/zinc/06/08/88/1123060888.db2.gz XLJSMBIAJWBSEA-CQSZACIVSA-N 0 1 260.768 3.976 20 0 CHADMN CC(C)(C)c1nc(CNc2ccc3c[nH]nc3c2)cs1 ZINC000229245324 1123061432 /nfs/dbraw/zinc/06/14/32/1123061432.db2.gz XSIMYTLBIPKHKU-UHFFFAOYSA-N 0 1 286.404 3.929 20 0 CHADMN Fc1cccc(CNCCOc2cccc(Cl)c2)c1F ZINC000520205198 1123062741 /nfs/dbraw/zinc/06/27/41/1123062741.db2.gz BTQNSCDEKPUZCM-UHFFFAOYSA-N 0 1 297.732 3.787 20 0 CHADMN CC(C)OC(=O)CC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000441265939 1123073075 /nfs/dbraw/zinc/07/30/75/1123073075.db2.gz MXFPVVHDWBYZJO-OAHLLOKOSA-N 0 1 295.810 3.819 20 0 CHADMN CC(C)OC(=O)CCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000441265939 1123073078 /nfs/dbraw/zinc/07/30/78/1123073078.db2.gz MXFPVVHDWBYZJO-OAHLLOKOSA-N 0 1 295.810 3.819 20 0 CHADMN Clc1cccc2c1CCN(Cc1ccccc1)C2 ZINC000223864512 1123078526 /nfs/dbraw/zinc/07/85/26/1123078526.db2.gz DUNFKUVXUNZPCH-UHFFFAOYSA-N 0 1 257.764 3.898 20 0 CHADMN Fc1ccc2nc(-c3cc(F)c(F)c(F)c3)[nH]c2c1 ZINC000112478655 1123088881 /nfs/dbraw/zinc/08/88/81/1123088881.db2.gz HNXUAEREBPYJFB-UHFFFAOYSA-N 0 1 266.197 3.786 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000520428043 1123090943 /nfs/dbraw/zinc/09/09/43/1123090943.db2.gz JAHLUFHMIBFWCZ-PWSUYJOCSA-N 0 1 275.783 3.850 20 0 CHADMN Cc1[nH]nc(CN2CCC[C@H]2c2ccc(F)cc2F)c1C ZINC000894940798 1123091445 /nfs/dbraw/zinc/09/14/45/1123091445.db2.gz JXDZCXQHRKDJJR-INIZCTEOSA-N 0 1 291.345 3.642 20 0 CHADMN CC(C)Cc1ccc(CN[C@@H]2COCc3ccccc32)cn1 ZINC000894951731 1123092975 /nfs/dbraw/zinc/09/29/75/1123092975.db2.gz USOXCKFGONNRBI-LJQANCHMSA-N 0 1 296.414 3.641 20 0 CHADMN CCCCO[C@@H]1C[C@H](N[C@H](COC)c2ccco2)C1(C)C ZINC000776164279 1123097844 /nfs/dbraw/zinc/09/78/44/1123097844.db2.gz YRAGPGUYNYHAMU-VNQPRFMTSA-N 0 1 295.423 3.541 20 0 CHADMN O=C(Nc1cc(Cl)ccc1O)c1c(O)cccc1Cl ZINC000049094144 1123098857 /nfs/dbraw/zinc/09/88/57/1123098857.db2.gz QPANAZFPTPQJBY-UHFFFAOYSA-N 0 1 298.125 3.657 20 0 CHADMN FC(F)(F)c1nc(CNC[C@@H]2C[C@H]2C2CCC2)cs1 ZINC000895005840 1123098891 /nfs/dbraw/zinc/09/88/91/1123098891.db2.gz JFRJATDHKBJJCX-ONGXEEELSA-N 0 1 290.354 3.688 20 0 CHADMN CC(C)=CCC[C@H](C)CN(C)Cc1nccs1 ZINC001201495467 1123110187 /nfs/dbraw/zinc/11/01/87/1123110187.db2.gz CQWWJAYJRWYNHW-ZDUSSCGKSA-N 0 1 252.427 3.957 20 0 CHADMN CC(C)=CCC[C@@H](C)CN1CCO[C@H](c2ccccn2)C1 ZINC001201497975 1123111172 /nfs/dbraw/zinc/11/11/72/1123111172.db2.gz ZXHOJJOQLYHFMC-AEFFLSMTSA-N 0 1 288.435 3.837 20 0 CHADMN Cc1cc(C)c(Cl)c(-n2[nH]c(=O)c3cc(N)ccc32)c1 ZINC001201598125 1123123633 /nfs/dbraw/zinc/12/36/33/1123123633.db2.gz XPOKFMYBVSLXDJ-UHFFFAOYSA-N 0 1 287.750 3.584 20 0 CHADMN Cc1ccc(Cc2noc(CN3[C@H](C)CC[C@H]3C)n2)cc1C ZINC000665015531 1123125552 /nfs/dbraw/zinc/12/55/52/1123125552.db2.gz GJBPEQRAFOMBJJ-HUUCEWRRSA-N 0 1 299.418 3.650 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CCOC2(CCCCC2)C1 ZINC000441438980 1123126990 /nfs/dbraw/zinc/12/69/90/1123126990.db2.gz UTLPFFXKDXIJMX-CQSZACIVSA-N 0 1 277.383 3.922 20 0 CHADMN O=C(CN1CCC[C@@H]2CCC[C@H]21)Nc1cccc(Cl)c1 ZINC000441446221 1123128661 /nfs/dbraw/zinc/12/86/61/1123128661.db2.gz KGGPGVMJDMIVPE-SWLSCSKDSA-N 0 1 292.810 3.543 20 0 CHADMN Cc1cc(F)c(CNCCSC(C)(C)C)c(F)c1 ZINC001201595942 1123128944 /nfs/dbraw/zinc/12/89/44/1123128944.db2.gz XICQJUJRKPWZAV-UHFFFAOYSA-N 0 1 273.392 3.895 20 0 CHADMN Cc1nc2c(s1)[C@@H](NCc1cc(F)ccc1F)CCC2 ZINC001201616764 1123131711 /nfs/dbraw/zinc/13/17/11/1123131711.db2.gz AITRIGVSWCQUHO-ZDUSSCGKSA-N 0 1 294.370 3.897 20 0 CHADMN CC(C)CC[N@H+]1CCO[C@@](C)(c2ccc(Cl)cc2)C1 ZINC001201624015 1123132928 /nfs/dbraw/zinc/13/29/28/1123132928.db2.gz JYIUABJJSVDRTG-MRXNPFEDSA-N 0 1 281.827 3.934 20 0 CHADMN CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1nc(C(C)C)no1 ZINC000189258822 1123137215 /nfs/dbraw/zinc/13/72/15/1123137215.db2.gz KSGPWUKDGYLPCM-STQMWFEESA-N 0 1 265.401 3.594 20 0 CHADMN CC[C@H]1CCCC[C@@H]1N(C)Cc1nc(C(C)C)no1 ZINC000189258822 1123137216 /nfs/dbraw/zinc/13/72/16/1123137216.db2.gz KSGPWUKDGYLPCM-STQMWFEESA-N 0 1 265.401 3.594 20 0 CHADMN CCCCN1CCN(c2ccc(F)c(Cl)c2F)CC1 ZINC001201700257 1123137872 /nfs/dbraw/zinc/13/78/72/1123137872.db2.gz GXGNBCOKQKZFEZ-UHFFFAOYSA-N 0 1 288.769 3.540 20 0 CHADMN CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C2=CCCC[C@H]21 ZINC001201722953 1123140905 /nfs/dbraw/zinc/14/09/05/1123140905.db2.gz MDYNXJLVQLKZQJ-CQSZACIVSA-N 0 1 294.439 3.776 20 0 CHADMN CCCCN1CCN(C(=O)OC(C)(C)C)C2=CCCC[C@H]21 ZINC001201722953 1123140908 /nfs/dbraw/zinc/14/09/08/1123140908.db2.gz MDYNXJLVQLKZQJ-CQSZACIVSA-N 0 1 294.439 3.776 20 0 CHADMN CCCCCCN1Cc2cc(OC)c(OC)cc2C1 ZINC001201756319 1123146345 /nfs/dbraw/zinc/14/63/45/1123146345.db2.gz IYGDIHBJKJKZOO-UHFFFAOYSA-N 0 1 263.381 3.600 20 0 CHADMN CC(C)c1nc([C@H](C)NCc2cc3ccccc3o2)n[nH]1 ZINC001201850522 1123156268 /nfs/dbraw/zinc/15/62/68/1123156268.db2.gz GWDKNIHMYIZOFZ-NSHDSACASA-N 0 1 284.363 3.525 20 0 CHADMN CC[C@H](N[C@H](C)c1cnn(C(C)C)c1)c1c(C)noc1C ZINC000090887557 1123156876 /nfs/dbraw/zinc/15/68/76/1123156876.db2.gz KECDDBWALDEVMS-ABAIWWIYSA-N 0 1 290.411 3.871 20 0 CHADMN CCc1ccc2c(c1)[C@@H](NCc1ccc(C)nc1)CCO2 ZINC001201920779 1123158302 /nfs/dbraw/zinc/15/83/02/1123158302.db2.gz TWXRRJYORDBRHK-KRWDZBQOSA-N 0 1 282.387 3.566 20 0 CHADMN Clc1cccc([C@@H]2CSCCN2CC2CC2)c1 ZINC001201942920 1123160297 /nfs/dbraw/zinc/16/02/97/1123160297.db2.gz WGADNGJKDYEBNN-AWEZNQCLSA-N 0 1 267.825 3.840 20 0 CHADMN O=C(Nc1ccccc1)Nc1cnccc1N1CCCCC1 ZINC001201946303 1123161467 /nfs/dbraw/zinc/16/14/67/1123161467.db2.gz DGSNFLUQJSROHJ-UHFFFAOYSA-N 0 1 296.374 3.716 20 0 CHADMN Cc1cccc2c1CC[C@H]2N[C@H](C)c1ccccn1 ZINC000152325787 1123166181 /nfs/dbraw/zinc/16/61/81/1123166181.db2.gz YZWPSSBPNRVMDH-CXAGYDPISA-N 0 1 252.361 3.728 20 0 CHADMN CN(Cc1ccn(-c2ccc(F)cc2)n1)CC1CCCC1 ZINC000441523448 1123166803 /nfs/dbraw/zinc/16/68/03/1123166803.db2.gz LVVPOADSGZNDQO-UHFFFAOYSA-N 0 1 287.382 3.633 20 0 CHADMN CC(C)(C)CCN(Cc1cccnc1)Cc1cccnc1 ZINC001202079167 1123173869 /nfs/dbraw/zinc/17/38/69/1123173869.db2.gz XVSZFOKBPMXUHV-UHFFFAOYSA-N 0 1 283.419 3.915 20 0 CHADMN CCCC[C@@H](O)CN1CCC[C@@H]1c1ccc(F)cc1F ZINC001252098892 1123175432 /nfs/dbraw/zinc/17/54/32/1123175432.db2.gz XDYNCULMGVPPER-CZUORRHYSA-N 0 1 283.362 3.653 20 0 CHADMN CCCC[C@H](O)CN1CCC[C@H]1c1ccc(F)cc1F ZINC001252098890 1123175629 /nfs/dbraw/zinc/17/56/29/1123175629.db2.gz XDYNCULMGVPPER-BBRMVZONSA-N 0 1 283.362 3.653 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H](C)C1)c1nc(C2CCCCC2)no1 ZINC000191578416 1123176836 /nfs/dbraw/zinc/17/68/36/1123176836.db2.gz FSAPTHHQLNGPOX-DYEKYZERSA-N 0 1 277.412 3.957 20 0 CHADMN CC[C@H]1C[C@@H](C[N@H+]2CCc3c4ccccc4[nH]c3C2)CCO1 ZINC000507780755 1123178268 /nfs/dbraw/zinc/17/82/68/1123178268.db2.gz XICWDOHABOKAEC-GJZGRUSLSA-N 0 1 298.430 3.731 20 0 CHADMN CC[C@H]1C[C@@H](CN2CCc3c4ccccc4[nH]c3C2)CCO1 ZINC000507780755 1123178271 /nfs/dbraw/zinc/17/82/71/1123178271.db2.gz XICWDOHABOKAEC-GJZGRUSLSA-N 0 1 298.430 3.731 20 0 CHADMN OCc1cc(Nc2csc3ccccc23)ccn1 ZINC001202164927 1123180627 /nfs/dbraw/zinc/18/06/27/1123180627.db2.gz CJPQQMUIRKPLQE-UHFFFAOYSA-N 0 1 256.330 3.532 20 0 CHADMN CCC(CC)N(CC(C)C)C(=O)c1[nH]nc2ccccc21 ZINC000093326397 1123184279 /nfs/dbraw/zinc/18/42/79/1123184279.db2.gz BFSRQSUVULYGKN-UHFFFAOYSA-N 0 1 287.407 3.850 20 0 CHADMN CCCCC[C@@H](C)NC(=O)C[N@@H+](CC)Cc1ccccc1 ZINC000061758316 1123185253 /nfs/dbraw/zinc/18/52/53/1123185253.db2.gz DRLXUTBOLJCULU-MRXNPFEDSA-N 0 1 290.451 3.594 20 0 CHADMN CCCCC[C@@H](C)NC(=O)CN(CC)Cc1ccccc1 ZINC000061758316 1123185256 /nfs/dbraw/zinc/18/52/56/1123185256.db2.gz DRLXUTBOLJCULU-MRXNPFEDSA-N 0 1 290.451 3.594 20 0 CHADMN C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000507783117 1123185448 /nfs/dbraw/zinc/18/54/48/1123185448.db2.gz LIZMDPSTRGYRMV-LJQANCHMSA-N 0 1 299.389 3.840 20 0 CHADMN CC(C)CC[C@H]1CCCN1Cc1nc(-c2ccco2)no1 ZINC000135310972 1123188827 /nfs/dbraw/zinc/18/88/27/1123188827.db2.gz FWKMCZHSVAIFDR-CYBMUJFWSA-N 0 1 289.379 3.730 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@H]2COCc2ccccc2)c1 ZINC001143586782 1123190709 /nfs/dbraw/zinc/19/07/09/1123190709.db2.gz WNYBCPGZMUOKGV-IBGZPJMESA-N 0 1 299.389 3.925 20 0 CHADMN O=C(Nc1cccc(Cl)c1)Nc1c(O)cc(F)cc1F ZINC001202247326 1123192869 /nfs/dbraw/zinc/19/28/69/1123192869.db2.gz LKEOPDAJYRXOJM-UHFFFAOYSA-N 0 1 298.676 3.968 20 0 CHADMN FC(F)(F)CCN1CCC[C@H](Sc2ccncc2)C1 ZINC001202346093 1123197054 /nfs/dbraw/zinc/19/70/54/1123197054.db2.gz JIRJJEGVRFCCMG-LBPRGKRZSA-N 0 1 290.354 3.591 20 0 CHADMN FC(F)(F)CCN1CCSc2ccccc2C1 ZINC001202356071 1123200805 /nfs/dbraw/zinc/20/08/05/1123200805.db2.gz KPVYGQBECQQVRQ-UHFFFAOYSA-N 0 1 261.312 3.547 20 0 CHADMN CO[C@H]1CCCC[C@H]1NCc1csc(C2CCCC2)n1 ZINC000429498513 1123201980 /nfs/dbraw/zinc/20/19/80/1123201980.db2.gz QWHWZFXGNYDRSW-CABCVRRESA-N 0 1 294.464 3.848 20 0 CHADMN CCN(Cc1cccs1)Cc1c(C)nn(CC)c1C ZINC000119994032 1123202717 /nfs/dbraw/zinc/20/27/17/1123202717.db2.gz ASIUTRLBWONDNP-UHFFFAOYSA-N 0 1 277.437 3.603 20 0 CHADMN FC(F)(F)CCC[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001202424550 1123206202 /nfs/dbraw/zinc/20/62/02/1123206202.db2.gz JHOHVQWDBMHITF-GFCCVEGCSA-N 0 1 272.314 3.604 20 0 CHADMN CC(C)c1cccc(CNc2cccc3[nH]nnc32)c1 ZINC001202466741 1123209195 /nfs/dbraw/zinc/20/91/95/1123209195.db2.gz OEWJNKRWCYQWDN-UHFFFAOYSA-N 0 1 266.348 3.693 20 0 CHADMN CC(C)(C)[C@H]1CCCC[C@H]1NCc1nc(C2CC2)no1 ZINC000097324276 1123212220 /nfs/dbraw/zinc/21/22/20/1123212220.db2.gz LQIYSYWNYGPKER-QWHCGFSZSA-N 0 1 277.412 3.642 20 0 CHADMN Clc1c2ccccc2oc1CN1CC([C@@H]2CCOC2)C1 ZINC000639119573 1123217386 /nfs/dbraw/zinc/21/73/86/1123217386.db2.gz LPDTWEAZHWXTQW-LLVKDONJSA-N 0 1 291.778 3.555 20 0 CHADMN Cc1ccc(N2CCN([C@@H](C)c3cccnc3)CC2)cc1C ZINC000071711645 1129106937 /nfs/dbraw/zinc/10/69/37/1129106937.db2.gz WQDXFBNQMNLFKT-KRWDZBQOSA-N 0 1 295.430 3.582 20 0 CHADMN CCOc1cc(CN2CCC[C@H]2c2ccccn2)ccc1O ZINC000520750518 1123224347 /nfs/dbraw/zinc/22/43/47/1123224347.db2.gz QOYGIBFVHCZATD-INIZCTEOSA-N 0 1 298.386 3.523 20 0 CHADMN CN(C)Cc1cc(-c2ccc3c(c2)COC3)ccc1F ZINC000665199349 1123227451 /nfs/dbraw/zinc/22/74/51/1123227451.db2.gz DQJZMVCAYJHHAE-UHFFFAOYSA-N 0 1 271.335 3.585 20 0 CHADMN CN(C)Cc1cc(-c2cc(C(F)(F)F)ccn2)ccc1F ZINC000665199329 1123227604 /nfs/dbraw/zinc/22/76/04/1123227604.db2.gz CZGLQADGBHFOQK-UHFFFAOYSA-N 0 1 298.283 3.968 20 0 CHADMN CCn1cncc1CN1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000417795758 1123248198 /nfs/dbraw/zinc/24/81/98/1123248198.db2.gz RASYCNYXIDLBRP-CXAGYDPISA-N 0 1 287.382 3.625 20 0 CHADMN O=C(C[C@@H]1C=CCCC1)Nc1cc(F)cc(Cl)c1O ZINC000427805743 1123249582 /nfs/dbraw/zinc/24/95/82/1123249582.db2.gz JBCRZGQNTDAXRN-SECBINFHSA-N 0 1 283.730 3.870 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](C)c2ccc(Cl)cc2)cn1 ZINC000427825193 1123252991 /nfs/dbraw/zinc/25/29/91/1123252991.db2.gz KIMMTIDJKVAJKN-NEPJUHHUSA-N 0 1 275.783 3.850 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2cnc(C)cn2)cc1 ZINC000427849862 1123254955 /nfs/dbraw/zinc/25/49/55/1123254955.db2.gz GWJJAYIZBPEXSJ-KBPBESRZSA-N 0 1 255.365 3.505 20 0 CHADMN O[C@H]1C[C@@H](NCc2ccc(Cl)cc2)c2ccccc21 ZINC000850371172 1123258206 /nfs/dbraw/zinc/25/82/06/1123258206.db2.gz VIZAPEPPQKQGNE-CVEARBPZSA-N 0 1 273.763 3.608 20 0 CHADMN CCCOc1cccc(CN[C@@H]2C[C@@H](O)c3ccccc32)c1 ZINC000850370840 1123258611 /nfs/dbraw/zinc/25/86/11/1123258611.db2.gz FZVCVQVFMDBODT-RTBURBONSA-N 0 1 297.398 3.743 20 0 CHADMN C[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1ccccc1F ZINC000850373704 1123259707 /nfs/dbraw/zinc/25/97/07/1123259707.db2.gz IXQJVQMWZZXIHI-GOPGUHFVSA-N 0 1 271.335 3.655 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn2ccccc2n1)c1ccccc1 ZINC000671098263 1129109488 /nfs/dbraw/zinc/10/94/88/1129109488.db2.gz SEMDGNIHMJIXMD-KGLIPLIRSA-N 0 1 265.360 3.746 20 0 CHADMN C[C@@H](N[C@H]1CCCN(C)c2ccccc21)c1ccccn1 ZINC000334579818 1123263003 /nfs/dbraw/zinc/26/30/03/1123263003.db2.gz OIUZBGUERJKGBD-PBHICJAKSA-N 0 1 281.403 3.704 20 0 CHADMN CC(C)[C@H](C)[N@@H+](C)Cc1csc(Nc2ccccc2)n1 ZINC000520792638 1123266310 /nfs/dbraw/zinc/26/63/10/1123266310.db2.gz BAOOJRCVVGANRK-ZDUSSCGKSA-N 0 1 289.448 3.785 20 0 CHADMN CC(C)[C@H](C)N(C)Cc1csc(Nc2ccccc2)n1 ZINC000520792638 1123266316 /nfs/dbraw/zinc/26/63/16/1123266316.db2.gz BAOOJRCVVGANRK-ZDUSSCGKSA-N 0 1 289.448 3.785 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2ccc3c(c2)CCCO3)s1 ZINC000850431451 1123266437 /nfs/dbraw/zinc/26/64/37/1123266437.db2.gz DPDLRVUDGIFKBV-NSHDSACASA-N 0 1 288.416 3.627 20 0 CHADMN Cc1cc([C@@H](N[C@@H]2C=CCC2)c2cccnc2)ccc1F ZINC000850510379 1123278353 /nfs/dbraw/zinc/27/83/53/1123278353.db2.gz TZKDIELWKFAOAB-SJLPKXTDSA-N 0 1 282.362 3.927 20 0 CHADMN CC(C)[C@H](N[C@@H]1CCCc2n[nH]cc21)c1ccccc1F ZINC000850517189 1123279094 /nfs/dbraw/zinc/27/90/94/1123279094.db2.gz TVCFLMZNWIXKDK-WBVHZDCISA-N 0 1 287.382 3.913 20 0 CHADMN CC[C@@H]1CN(C[C@H](OC(C)C)c2ccccc2)C[C@@H](C)O1 ZINC000428224112 1123280462 /nfs/dbraw/zinc/28/04/62/1123280462.db2.gz LSZTWYXQNHMOMC-NXHRZFHOSA-N 0 1 291.435 3.652 20 0 CHADMN CCCc1nc(C)c(CN(C)[C@@H]2C[C@@H](OCC)C2(C)C)o1 ZINC000428224236 1123281201 /nfs/dbraw/zinc/28/12/01/1123281201.db2.gz ZESOPPXBWRIQKI-HUUCEWRRSA-N 0 1 294.439 3.571 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1ccnc(Cl)c1 ZINC000850526982 1123281610 /nfs/dbraw/zinc/28/16/10/1123281610.db2.gz DJXCQZXCRXTZGI-VQISRLSMSA-N 0 1 288.778 3.564 20 0 CHADMN O[C@@H]1C[C@H](N[C@H]2CCSc3ccccc32)c2ccccc21 ZINC000850527561 1123283203 /nfs/dbraw/zinc/28/32/03/1123283203.db2.gz ASKKLDJIAIMEOO-YESZJQIVSA-N 0 1 297.423 3.992 20 0 CHADMN C[C@@H](NCCC(C)(C)F)c1nc(Br)cs1 ZINC000850530734 1123284843 /nfs/dbraw/zinc/28/48/43/1123284843.db2.gz CFTBVMOFHBATFE-SSDOTTSWSA-N 0 1 295.221 3.694 20 0 CHADMN O[C@@H]1C[C@H](N[C@@H]2CCc3ccc(F)cc32)c2ccccc21 ZINC000850530467 1123284860 /nfs/dbraw/zinc/28/48/60/1123284860.db2.gz ZBWJMCZCAQLTML-FGTMMUONSA-N 0 1 283.346 3.581 20 0 CHADMN O[C@@H]1C[C@@H](N[C@@H]2CCc3ccc(F)cc32)c2ccccc21 ZINC000850530470 1123285217 /nfs/dbraw/zinc/28/52/17/1123285217.db2.gz ZBWJMCZCAQLTML-KZNAEPCWSA-N 0 1 283.346 3.581 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1cc(COC)cs1 ZINC000850531443 1123285331 /nfs/dbraw/zinc/28/53/31/1123285331.db2.gz DYGWYXZQQSHCEO-JTQLQIEISA-N 0 1 294.420 3.604 20 0 CHADMN C[C@H](N[C@H]1CCc2ccc(O)cc21)c1ccnc(Cl)c1 ZINC000850543536 1123288793 /nfs/dbraw/zinc/28/87/93/1123288793.db2.gz LTMPTOQJJNUHLG-BONVTDFDSA-N 0 1 288.778 3.779 20 0 CHADMN CCCCCC[N@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000071737699 1129111844 /nfs/dbraw/zinc/11/18/44/1129111844.db2.gz DVZBWLIFJZHNKZ-HNNXBMFYSA-N 0 1 277.408 3.790 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cc(N)ccc21)c1ccc(Cl)cn1 ZINC000665271114 1123297194 /nfs/dbraw/zinc/29/71/94/1123297194.db2.gz HDTPVRHNECVBSY-QLJPJBMISA-N 0 1 287.794 3.655 20 0 CHADMN C[C@H](NCc1ccncc1OCC(F)F)c1ccccc1 ZINC000442108040 1123302025 /nfs/dbraw/zinc/30/20/25/1123302025.db2.gz ACOZDUSMPCWMFI-LBPRGKRZSA-N 0 1 292.329 3.576 20 0 CHADMN C[C@@H](N[C@@H](c1nccn1C)C1CC1)c1cccc(Cl)c1 ZINC000353872504 1123303210 /nfs/dbraw/zinc/30/32/10/1123303210.db2.gz VVXYDXYFJHTAMV-IAQYHMDHSA-N 0 1 289.810 3.875 20 0 CHADMN Clc1ccc(CN2CCC(c3ccncc3)CC2)o1 ZINC000335144753 1123309971 /nfs/dbraw/zinc/30/99/71/1123309971.db2.gz OMDCWOXDAUFRHB-UHFFFAOYSA-N 0 1 276.767 3.708 20 0 CHADMN Cc1cc(CN[C@H]2CCCOc3ccc(F)cc32)ccn1 ZINC000335164118 1123317733 /nfs/dbraw/zinc/31/77/33/1123317733.db2.gz MPURRJRQHVLKNB-INIZCTEOSA-N 0 1 286.350 3.533 20 0 CHADMN Cc1ccc(CN2CCC(Nc3ccc(F)cc3)CC2)nc1 ZINC000156574602 1129113882 /nfs/dbraw/zinc/11/38/82/1129113882.db2.gz MMXWPORRLOIMHQ-UHFFFAOYSA-N 0 1 299.393 3.606 20 0 CHADMN CCO[C@H](C)c1nc(CN2CC[C@H](C3CCC3)C2)cs1 ZINC000665286711 1123324596 /nfs/dbraw/zinc/32/45/96/1123324596.db2.gz SDNUOFHDTVMLTD-OCCSQVGLSA-N 0 1 294.464 3.863 20 0 CHADMN Cc1cncc(CN(Cc2cccc(F)c2)C(C)C)c1 ZINC000442689859 1123333335 /nfs/dbraw/zinc/33/33/35/1123333335.db2.gz UZERURQTVJHWHK-UHFFFAOYSA-N 0 1 272.367 3.940 20 0 CHADMN Cc1cncc(CN2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000442686492 1123333392 /nfs/dbraw/zinc/33/33/92/1123333392.db2.gz YYWJQEVFZMBZGY-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](C)c2ccccc2SC)n[nH]1 ZINC000442865896 1123343501 /nfs/dbraw/zinc/34/35/01/1123343501.db2.gz JBOFPJWIAQGXQA-QWRGUYRKSA-N 0 1 290.436 3.501 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CC(C)(C)OC(C)(C)C1 ZINC000442877381 1123345573 /nfs/dbraw/zinc/34/55/73/1123345573.db2.gz TYSXBYFCEJCWSP-GFCCVEGCSA-N 0 1 265.372 3.776 20 0 CHADMN CC[C@]1(C)CN([C@H]2CCCc3ccc(F)cc32)CCO1 ZINC000442878566 1123346453 /nfs/dbraw/zinc/34/64/53/1123346453.db2.gz GLCDVHVXIUNKHG-DLBZAZTESA-N 0 1 277.383 3.704 20 0 CHADMN CC[C@@]1(C)CN(Cc2cc3ccccc3s2)CCO1 ZINC000442882693 1123347128 /nfs/dbraw/zinc/34/71/28/1123347128.db2.gz FKEDTQOZMLMGAQ-INIZCTEOSA-N 0 1 275.417 3.902 20 0 CHADMN Cc1ccc(C)c(Cc2noc(CN3[C@@H](C)CC[C@@H]3C)n2)c1 ZINC000443213331 1123364510 /nfs/dbraw/zinc/36/45/10/1123364510.db2.gz HEPDXAMCZUZPMX-GJZGRUSLSA-N 0 1 299.418 3.650 20 0 CHADMN Cc1ccccc1C[C@H](C)c1nc([C@H](N)CC(C)C)no1 ZINC000634555863 1129117087 /nfs/dbraw/zinc/11/70/87/1129117087.db2.gz XJLDVYYOBTZXAC-DZGCQCFKSA-N 0 1 287.407 3.770 20 0 CHADMN Cc1ccccc1NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000335370577 1123366402 /nfs/dbraw/zinc/36/64/02/1123366402.db2.gz BIDUBYIDHHLAET-ZDUSSCGKSA-N 0 1 297.402 3.585 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1cccc(F)n1 ZINC000851710016 1123372585 /nfs/dbraw/zinc/37/25/85/1123372585.db2.gz FXQMNHXJSGTNCB-NSHDSACASA-N 0 1 262.303 3.553 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cccc(F)n2)cc1 ZINC000851709928 1123372789 /nfs/dbraw/zinc/37/27/89/1123372789.db2.gz CUPXKHWZPYXPLK-INIZCTEOSA-N 0 1 270.351 3.866 20 0 CHADMN CCc1nc([C@@H](C)N2CC=C(c3ccc(C)cc3)CC2)n[nH]1 ZINC000851714422 1123374077 /nfs/dbraw/zinc/37/40/77/1123374077.db2.gz RBBCTLVTXQXUGF-CQSZACIVSA-N 0 1 296.418 3.526 20 0 CHADMN C[C@@H](N[C@H]1CCCc2cc(N)ccc21)c1ccncc1F ZINC000335481421 1123377039 /nfs/dbraw/zinc/37/70/39/1123377039.db2.gz RVNCKDGBEOHKPT-DIFFPNOSSA-N 0 1 285.366 3.531 20 0 CHADMN Fc1ccc(CN(Cc2cccc(F)n2)CC2CC2)cc1 ZINC000851773706 1123379464 /nfs/dbraw/zinc/37/94/64/1123379464.db2.gz AENYNRLTEZXHQT-UHFFFAOYSA-N 0 1 288.341 3.772 20 0 CHADMN CC1(C)OC[C@H](CCN2CC[C@H]2c2ccc(Cl)cc2)O1 ZINC000851799784 1123382418 /nfs/dbraw/zinc/38/24/18/1123382418.db2.gz FHBOTQYHKUCSIS-GJZGRUSLSA-N 0 1 295.810 3.628 20 0 CHADMN Cc1nn(C(C)C)cc1C[N@H+]1CCSC2(CCC2)CC1 ZINC000335641462 1123388746 /nfs/dbraw/zinc/38/87/46/1123388746.db2.gz FXBWMEYEZOSEJI-UHFFFAOYSA-N 0 1 293.480 3.634 20 0 CHADMN Cc1ccc(C(C)(C)NCC=C(Cl)Cl)cn1 ZINC000851935659 1123389787 /nfs/dbraw/zinc/38/97/87/1123389787.db2.gz FTHQUUQUFLEIHR-UHFFFAOYSA-N 0 1 259.180 3.534 20 0 CHADMN O=C1CC[C@H](CN2CCCC[C@@H]2c2cccc(Cl)c2)O1 ZINC000851989498 1123392446 /nfs/dbraw/zinc/39/24/46/1123392446.db2.gz JOKQBUDKYVZMPB-HUUCEWRRSA-N 0 1 293.794 3.573 20 0 CHADMN CCCc1cnc(NC(=O)c2c(O)cccc2Cl)s1 ZINC000776558806 1123393742 /nfs/dbraw/zinc/39/37/42/1123393742.db2.gz OJIHVCVQLDTFKX-UHFFFAOYSA-N 0 1 296.779 3.707 20 0 CHADMN COc1cc(CN2C[C@H](C)C[C@@H]2c2ccccc2)sn1 ZINC000852046130 1123394018 /nfs/dbraw/zinc/39/40/18/1123394018.db2.gz QPXUFXGGLKXFAY-IUODEOHRSA-N 0 1 288.416 3.735 20 0 CHADMN CC1(c2cc(=O)n(Cc3cccc(C(F)(F)F)c3)[nH]2)CC1 ZINC000634590939 1129118883 /nfs/dbraw/zinc/11/88/83/1129118883.db2.gz OBWJRJGIKJJBGF-UHFFFAOYSA-N 0 1 296.292 3.594 20 0 CHADMN O=C1CC[C@H](CN2CCCC[C@H]2c2ccc(Cl)cc2)O1 ZINC000852140345 1123398421 /nfs/dbraw/zinc/39/84/21/1123398421.db2.gz KCHZZTRROWWHME-CABCVRRESA-N 0 1 293.794 3.573 20 0 CHADMN CC(C)(C)O[C@@H]1C[C@@H](NCc2cc(C3CC3)no2)C1(C)C ZINC000852165094 1123399398 /nfs/dbraw/zinc/39/93/98/1123399398.db2.gz ZBIDMZNFMHPXBU-HUUCEWRRSA-N 0 1 292.423 3.624 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1nnc(-c2cccc(F)c2)o1 ZINC000852355371 1123404371 /nfs/dbraw/zinc/40/43/71/1123404371.db2.gz FLUBATIYYXKZAY-NSHDSACASA-N 0 1 291.370 3.790 20 0 CHADMN Cc1ccc2c(c1)CN(C[C@H]1CC1(Cl)Cl)CC2 ZINC000852406565 1123404661 /nfs/dbraw/zinc/40/46/61/1123404661.db2.gz QAAQPTQWJDSCBA-CYBMUJFWSA-N 0 1 270.203 3.547 20 0 CHADMN CCC(=O)CCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000852426687 1123405369 /nfs/dbraw/zinc/40/53/69/1123405369.db2.gz OFPQLJBCRXYGRU-OAHLLOKOSA-N 0 1 261.365 3.566 20 0 CHADMN CCCc1c(C)[nH]n(-c2ccc(SC)cc2)c1=O ZINC000634594113 1129119948 /nfs/dbraw/zinc/11/99/48/1129119948.db2.gz LLYRWUZKEVAUAV-CYBMUJFWSA-N 0 1 262.378 3.547 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1cnc(Cl)c(F)c1 ZINC000852700838 1123412707 /nfs/dbraw/zinc/41/27/07/1123412707.db2.gz SSRDVALUTCXBDR-CLYYMRHHSA-N 0 1 268.763 3.637 20 0 CHADMN Cc1ccc2cc[nH+]c(NCC3(C(=O)[O-])CCCC3)c2c1 ZINC000852909901 1123416753 /nfs/dbraw/zinc/41/67/53/1123416753.db2.gz FSKZIUXERYFDRN-UHFFFAOYSA-N 0 1 284.359 3.600 20 0 CHADMN Cc1ccc(CN2CCSC(C)(C)C2)cc1Cl ZINC001204769277 1123424051 /nfs/dbraw/zinc/42/40/51/1123424051.db2.gz QVAPRRKGVJBLGI-UHFFFAOYSA-N 0 1 269.841 3.976 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccccc1F)CC2 ZINC000113310419 1123424747 /nfs/dbraw/zinc/42/47/47/1123424747.db2.gz ATPKYYIHWMNNFN-QGZVFWFLSA-N 0 1 255.336 3.911 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)n1[nH]c(C2(C)CC2)cc1=O ZINC000634601133 1129120787 /nfs/dbraw/zinc/12/07/87/1129120787.db2.gz DBQSLUKGJLSFIM-SNVBAGLBSA-N 0 1 276.767 3.789 20 0 CHADMN COCC1(C2CCC2)CN(C/C=C/c2cccc(F)c2)C1 ZINC000895251725 1123427858 /nfs/dbraw/zinc/42/78/58/1123427858.db2.gz MLBWWESXKCFBCI-GQCTYLIASA-N 0 1 289.394 3.587 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000853240083 1123428839 /nfs/dbraw/zinc/42/88/39/1123428839.db2.gz FVVWSJAVDDDHOW-GXTWGEPZSA-N 0 1 297.402 3.522 20 0 CHADMN CC(C)(C)c1cc(CN2CC[C@H](c3ccccc3)C2)no1 ZINC000429681277 1123438945 /nfs/dbraw/zinc/43/89/45/1123438945.db2.gz VMCRIYYBJJVFFU-HNNXBMFYSA-N 0 1 284.403 3.962 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2nc(C)sc2C)C1 ZINC000443607929 1123443981 /nfs/dbraw/zinc/44/39/81/1123443981.db2.gz XKIHUBNHJDFGEW-AWEZNQCLSA-N 0 1 252.427 3.772 20 0 CHADMN CN(Cc1ccn(-c2c(F)cccc2F)n1)CC(C)(C)C ZINC000443611753 1123444070 /nfs/dbraw/zinc/44/40/70/1123444070.db2.gz ARLKXMMHLZBCAK-UHFFFAOYSA-N 0 1 293.361 3.628 20 0 CHADMN c1coc(C2CCN(Cc3cnn(C4CCC4)c3)CC2)c1 ZINC000895320742 1123454175 /nfs/dbraw/zinc/45/41/75/1123454175.db2.gz PJFXAADZXDMLHX-UHFFFAOYSA-N 0 1 285.391 3.581 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@@H](C)C[C@H](C)C2)n1 ZINC000443637235 1123456200 /nfs/dbraw/zinc/45/62/00/1123456200.db2.gz AQSAEXKOSZIALI-RDBSUJKOSA-N 0 1 279.428 3.841 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCOCC12CCC2 ZINC000443645429 1123461057 /nfs/dbraw/zinc/46/10/57/1123461057.db2.gz UWHGSJFIKRGBOH-UHFFFAOYSA-N 0 1 299.336 3.769 20 0 CHADMN COc1cccc(-c2csc(CN[C@@H]3C=CCC3)n2)c1 ZINC000895338385 1123461563 /nfs/dbraw/zinc/46/15/63/1123461563.db2.gz QWDOVURETCSHFC-CYBMUJFWSA-N 0 1 286.400 3.627 20 0 CHADMN C[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C[C@@H](C)C1 ZINC000443660298 1123465698 /nfs/dbraw/zinc/46/56/98/1123465698.db2.gz QZHUFIBNNDXRRY-KGLIPLIRSA-N 0 1 285.391 3.605 20 0 CHADMN Cn1ccnc1[C@@H]1N(C[C@H]2CCc3ccccc32)CC1(C)C ZINC000854026374 1123465794 /nfs/dbraw/zinc/46/57/94/1123465794.db2.gz AJVXSUWEAGOHEM-WBVHZDCISA-N 0 1 295.430 3.533 20 0 CHADMN CC1(C)CN(CC[C@H](O)c2ccccc2)[C@@H]1c1cccnc1 ZINC000854042014 1123467706 /nfs/dbraw/zinc/46/77/06/1123467706.db2.gz UTSUFIXMUUXMPV-ZWKOTPCHSA-N 0 1 296.414 3.588 20 0 CHADMN CC1(C)CN(CC[C@H](O)c2ccccc2)[C@H]1c1cccnc1 ZINC000854042013 1123467781 /nfs/dbraw/zinc/46/77/81/1123467781.db2.gz UTSUFIXMUUXMPV-ROUUACIJSA-N 0 1 296.414 3.588 20 0 CHADMN C[C@@H](OC(=O)C1CCC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000111988962 1123472740 /nfs/dbraw/zinc/47/27/40/1123472740.db2.gz SQGHROYMGNKQRM-MRVPVSSYSA-N 0 1 278.739 3.621 20 0 CHADMN C[C@H](OC(=O)C(C)(C)C)c1nc2ccc(Cl)cc2[nH]1 ZINC000111989675 1123472761 /nfs/dbraw/zinc/47/27/61/1123472761.db2.gz QIASKROQFGSUKZ-QMMMGPOBSA-N 0 1 280.755 3.867 20 0 CHADMN CCSc1ccc(CNCc2cnc(OC)s2)cc1 ZINC000895526710 1123488579 /nfs/dbraw/zinc/48/85/79/1123488579.db2.gz PMLQCWHGRQUFND-UHFFFAOYSA-N 0 1 294.445 3.554 20 0 CHADMN Cn1ccc(CN[C@H](c2ccccc2)C2CCCCC2)n1 ZINC000112343726 1123488907 /nfs/dbraw/zinc/48/89/07/1123488907.db2.gz GLVJTNGHRRLWAU-GOSISDBHSA-N 0 1 283.419 3.831 20 0 CHADMN FC1CCN(Cc2cnc(C3CCCC3)s2)CC1 ZINC000895547227 1123489553 /nfs/dbraw/zinc/48/95/53/1123489553.db2.gz QSSKGEISJBNJGM-UHFFFAOYSA-N 0 1 268.401 3.735 20 0 CHADMN FC[C@H]1CCCN(Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000895545325 1123491086 /nfs/dbraw/zinc/49/10/86/1123491086.db2.gz SFZPILRRLHBFQN-LLVKDONJSA-N 0 1 294.320 3.695 20 0 CHADMN Fc1ccccc1-c1ncc(CN2CCC(F)CC2)s1 ZINC000895547028 1123491157 /nfs/dbraw/zinc/49/11/57/1123491157.db2.gz IKSYHZCAPOHQHJ-UHFFFAOYSA-N 0 1 294.370 3.883 20 0 CHADMN CC(C)[C@H](c1ccccc1)N(C)CN1CCSC1=S ZINC000112694851 1123496575 /nfs/dbraw/zinc/49/65/75/1123496575.db2.gz XNRQLESFOACFBT-CQSZACIVSA-N 0 1 294.489 3.607 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)c1C ZINC000474282919 1123499714 /nfs/dbraw/zinc/49/97/14/1123499714.db2.gz LHEFURCQEUJUFP-ZIAGYGMSSA-N 0 1 291.439 3.751 20 0 CHADMN Oc1cccc(CN2CCC3(CCCCO3)CC2)c1Cl ZINC000895654764 1123501386 /nfs/dbraw/zinc/50/13/86/1123501386.db2.gz YCRFSARYENHCBB-UHFFFAOYSA-N 0 1 295.810 3.581 20 0 CHADMN CCCCc1nc(CN[C@@H]2CCCC[C@H]2OC)cs1 ZINC000429516298 1123502922 /nfs/dbraw/zinc/50/29/22/1123502922.db2.gz CZMPRDPHPLZSNA-ZIAGYGMSSA-N 0 1 282.453 3.533 20 0 CHADMN Cc1cccc(C[C@]2(C)CCC[N@H+]2CCCCC(=O)[O-])c1 ZINC000634697525 1129126008 /nfs/dbraw/zinc/12/60/08/1129126008.db2.gz LLOCQTAWTQTYRX-SFHVURJKSA-N 0 1 289.419 3.647 20 0 CHADMN CC(C)=CCC[C@@H](C)CCNCc1nc(C(F)F)no1 ZINC000895724149 1123508282 /nfs/dbraw/zinc/50/82/82/1123508282.db2.gz FLTOTCQUDZUSMI-LLVKDONJSA-N 0 1 287.354 3.869 20 0 CHADMN CC(C)(C)C1CCC(NCc2nc(C(F)F)no2)CC1 ZINC000895727912 1123509284 /nfs/dbraw/zinc/50/92/84/1123509284.db2.gz WAYWACBPOMATDY-UHFFFAOYSA-N 0 1 287.354 3.702 20 0 CHADMN CC(C)(C)[C@@H]1C[C@H](NCc2cc(C3CC3)no2)CS1 ZINC000895763728 1123511913 /nfs/dbraw/zinc/51/19/13/1123511913.db2.gz AUHBVRMVFWJRSX-FZMZJTMJSA-N 0 1 280.437 3.562 20 0 CHADMN Cc1cc(CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)sn1 ZINC000895788279 1123514334 /nfs/dbraw/zinc/51/43/34/1123514334.db2.gz NYXDVOHILZJYQM-JQWIXIFHSA-N 0 1 290.354 3.616 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc3cnccc3o2)cnc1F ZINC000895868325 1123525006 /nfs/dbraw/zinc/52/50/06/1123525006.db2.gz BOWZONMBFCFFLX-NSHDSACASA-N 0 1 285.322 3.521 20 0 CHADMN Fc1cc(CN[C@@H]2CCCn3nccc32)ccc1C(F)F ZINC000895881880 1123525399 /nfs/dbraw/zinc/52/53/99/1123525399.db2.gz QJBYPONFVJWVBJ-CYBMUJFWSA-N 0 1 295.308 3.585 20 0 CHADMN CCC[C@@H](C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474446794 1123531071 /nfs/dbraw/zinc/53/10/71/1123531071.db2.gz PLGBYMDHEAURIO-SSDOTTSWSA-N 0 1 259.708 3.559 20 0 CHADMN Cc1ccccc1-n1nccc1CNCc1cccc(F)c1 ZINC000474466906 1123535729 /nfs/dbraw/zinc/53/57/29/1123535729.db2.gz CHRAKPUWHFERRM-UHFFFAOYSA-N 0 1 295.361 3.610 20 0 CHADMN COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2ccc(C)cn2)c1 ZINC000544367013 1123553479 /nfs/dbraw/zinc/55/34/79/1123553479.db2.gz HLYXKVIKCYDIJM-HNAYVOBHSA-N 0 1 296.414 3.982 20 0 CHADMN CC[C@H](NCc1cn(C)nc1Cl)c1ccc(C)cc1 ZINC000856763942 1123566771 /nfs/dbraw/zinc/56/67/71/1123566771.db2.gz LKWUCEULRWJJQP-AWEZNQCLSA-N 0 1 277.799 3.623 20 0 CHADMN Cn1cc(CN[C@H](c2ccccc2)C2CCC2)c(Cl)n1 ZINC000856769236 1123567265 /nfs/dbraw/zinc/56/72/65/1123567265.db2.gz VCURHMQRVLXTKZ-OAHLLOKOSA-N 0 1 289.810 3.705 20 0 CHADMN C[C@H]1CC[C@@H](Sc2nc(-c3ccccc3F)n[nH]2)C1 ZINC000543710436 1123586800 /nfs/dbraw/zinc/58/68/00/1123586800.db2.gz XMBSHMKOTDKEDW-VHSXEESVSA-N 0 1 277.368 3.892 20 0 CHADMN CCCNC(=O)CN[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000102688274 1123592171 /nfs/dbraw/zinc/59/21/71/1123592171.db2.gz UUGBGQJEXYQIBL-HNNXBMFYSA-N 0 1 296.414 3.530 20 0 CHADMN Fc1ccc(CN2CCC[C@H]2c2cccnc2)cc1 ZINC000034543521 1123601647 /nfs/dbraw/zinc/60/16/47/1123601647.db2.gz PWMWCUWEJFKUKN-INIZCTEOSA-N 0 1 256.324 3.558 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC(C(C)(C)C)CC1 ZINC000179350946 1123601816 /nfs/dbraw/zinc/60/18/16/1123601816.db2.gz VQJORCFROLUFQZ-UHFFFAOYSA-N 0 1 291.439 3.740 20 0 CHADMN CCc1cccc(F)c1CNCc1ccccc1N(C)C ZINC000474866592 1123604907 /nfs/dbraw/zinc/60/49/07/1123604907.db2.gz FNEZNLHQINAPKY-UHFFFAOYSA-N 0 1 286.394 3.744 20 0 CHADMN CC(C)Cc1ccc(CN[C@H](c2ccccn2)C2CC2)cn1 ZINC000896610033 1123605800 /nfs/dbraw/zinc/60/58/00/1123605800.db2.gz SJHRBLRCNORSLB-IBGZPJMESA-N 0 1 295.430 3.916 20 0 CHADMN CCOc1ccc(CN(Cc2ccccn2)CC(C)C)o1 ZINC000896660992 1123609576 /nfs/dbraw/zinc/60/95/76/1123609576.db2.gz HRWSOSTUKRQMBV-UHFFFAOYSA-N 0 1 288.391 3.732 20 0 CHADMN CCc1cccc(F)c1CNCc1ccnc(SC)c1 ZINC000474938280 1123615470 /nfs/dbraw/zinc/61/54/70/1123615470.db2.gz IUBUXCXURGEELR-UHFFFAOYSA-N 0 1 290.407 3.795 20 0 CHADMN CCCCc1nc2ccc(NC(=O)C3=CCCCO3)cc2[nH]1 ZINC000081300511 1129133535 /nfs/dbraw/zinc/13/35/35/1129133535.db2.gz RJTYBUDMNQQJHW-UHFFFAOYSA-N 0 1 299.374 3.538 20 0 CHADMN Clc1csc(CN2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000194346829 1129133584 /nfs/dbraw/zinc/13/35/84/1129133584.db2.gz WIFCWSXCWUVMLI-SNVBAGLBSA-N 0 1 281.812 3.504 20 0 CHADMN FC(F)(F)C1CCC(CN2Cc3ccncc3C2)CC1 ZINC000857879599 1123623918 /nfs/dbraw/zinc/62/39/18/1123623918.db2.gz KLZQGLDGBOMUTO-UHFFFAOYSA-N 0 1 284.325 3.766 20 0 CHADMN Cc1cc(C)c(Cl)c(CN2CC3(C2)CCCOC3)c1 ZINC001237698861 1129134190 /nfs/dbraw/zinc/13/41/90/1129134190.db2.gz RRJRNHPSHBUTBG-UHFFFAOYSA-N 0 1 279.811 3.569 20 0 CHADMN Cc1ccsc1CN[C@@H]1CCc2ccc(Cl)nc21 ZINC000857902492 1123625515 /nfs/dbraw/zinc/62/55/15/1123625515.db2.gz SGXVNLPNZRTUBV-LLVKDONJSA-N 0 1 278.808 3.882 20 0 CHADMN Cc1csc(CN[C@@H]2CCc3ccc(Cl)nc32)c1 ZINC000857913793 1123625915 /nfs/dbraw/zinc/62/59/15/1123625915.db2.gz NTKRQWARDQYVIW-GFCCVEGCSA-N 0 1 278.808 3.882 20 0 CHADMN Cc1cc(C)c(CN[C@H]2CCc3ccc(Cl)nc32)cn1 ZINC000857914569 1123627054 /nfs/dbraw/zinc/62/70/54/1123627054.db2.gz WDTXIOCCWPSXPK-AWEZNQCLSA-N 0 1 287.794 3.524 20 0 CHADMN C[C@@H](NCc1ccnc(F)c1)c1ccc(Cl)s1 ZINC000858091898 1123629696 /nfs/dbraw/zinc/62/96/96/1123629696.db2.gz JJNXCLLRVOIHBO-MRVPVSSYSA-N 0 1 270.760 3.786 20 0 CHADMN CCn1cc(CN[C@@H](C)c2ccc(F)cc2C)c(C)n1 ZINC000896805657 1123630141 /nfs/dbraw/zinc/63/01/41/1123630141.db2.gz YFERTTLLMNHEJA-ZDUSSCGKSA-N 0 1 275.371 3.510 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnn1C)c1ccc(C(F)(F)F)cc1 ZINC000192249051 1123637268 /nfs/dbraw/zinc/63/72/68/1123637268.db2.gz IIUCXGASBTYPRL-MNOVXSKESA-N 0 1 297.324 3.851 20 0 CHADMN Cc1ccccc1C1(CNCc2cocn2)CCCCC1 ZINC000192303133 1123638877 /nfs/dbraw/zinc/63/88/77/1123638877.db2.gz SHIHABBIOFUYBG-UHFFFAOYSA-N 0 1 284.403 3.975 20 0 CHADMN C/C=C/CNCc1nc2ccc(Br)cc2s1 ZINC000858291174 1123642393 /nfs/dbraw/zinc/64/23/93/1123642393.db2.gz PLOJRKOPBXJHGR-NSCUHMNNSA-N 0 1 297.221 3.725 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)CCCC2)c1ccns1 ZINC000858318275 1123644078 /nfs/dbraw/zinc/64/40/78/1123644078.db2.gz NAQZQRYCGIZFOG-GFCCVEGCSA-N 0 1 272.417 3.873 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccns2)cc2cccnc12 ZINC000858316723 1123644110 /nfs/dbraw/zinc/64/41/10/1123644110.db2.gz JJAWNMYHOOMTER-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN COc1ccccc1/C=C/CN[C@H](C)c1ccns1 ZINC000858317038 1123644272 /nfs/dbraw/zinc/64/42/72/1123644272.db2.gz FJKYGRIKTFTLLJ-HOSRBBHYSA-N 0 1 274.389 3.516 20 0 CHADMN Cc1cccc2[nH]c(CN[C@@H](C)c3ccns3)cc21 ZINC000858317932 1123644335 /nfs/dbraw/zinc/64/43/35/1123644335.db2.gz ILPFIXLHYUFORD-NSHDSACASA-N 0 1 271.389 3.784 20 0 CHADMN COCc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)o1 ZINC000858320761 1123645261 /nfs/dbraw/zinc/64/52/61/1123645261.db2.gz HZEAZFCGKVLHOX-MRXNPFEDSA-N 0 1 291.778 3.857 20 0 CHADMN c1nc2c(s1)CCC[C@@H]2Nc1cc2c(cn1)CCCC2 ZINC000858419797 1123652044 /nfs/dbraw/zinc/65/20/44/1123652044.db2.gz DPHZUNWNKZGCJJ-ZDUSSCGKSA-N 0 1 285.416 3.906 20 0 CHADMN CCC[C@@H](CN[C@@H](C)c1cccnc1Cl)OCC ZINC000858450862 1123655224 /nfs/dbraw/zinc/65/52/24/1123655224.db2.gz KBCDZWRODMFWSV-RYUDHWBXSA-N 0 1 270.804 3.591 20 0 CHADMN CCCc1noc(CN[C@@H]2CCCCC23CCCC3)n1 ZINC000329831857 1123655959 /nfs/dbraw/zinc/65/59/59/1123655959.db2.gz SYPREBJLCDCPEK-CYBMUJFWSA-N 0 1 277.412 3.615 20 0 CHADMN Cc1cccc(CC(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000335913599 1123658323 /nfs/dbraw/zinc/65/83/23/1123658323.db2.gz CIXRNPRDQOTJKZ-UHFFFAOYSA-N 0 1 293.725 3.674 20 0 CHADMN C/C=C/CN[C@H](c1nc(Br)cs1)C1CC1 ZINC000858538982 1123661534 /nfs/dbraw/zinc/66/15/34/1123661534.db2.gz ZWBDAAHUSQGWMJ-PBKGFPTLSA-N 0 1 287.226 3.522 20 0 CHADMN CCCN(CCC[C@H](C)O)Cc1c(F)cccc1Cl ZINC000475048886 1123663494 /nfs/dbraw/zinc/66/34/94/1123663494.db2.gz QSFRBQDDRQUBJI-LBPRGKRZSA-N 0 1 287.806 3.852 20 0 CHADMN CCS[C@@H]1CCCC[N@@H+](Cc2ncc(CC)s2)C1 ZINC000346185136 1123668031 /nfs/dbraw/zinc/66/80/31/1123668031.db2.gz WXEBQWZWPMGFQO-CYBMUJFWSA-N 0 1 284.494 3.813 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2ncc(CC)s2)C1 ZINC000346185136 1123668035 /nfs/dbraw/zinc/66/80/35/1123668035.db2.gz WXEBQWZWPMGFQO-CYBMUJFWSA-N 0 1 284.494 3.813 20 0 CHADMN Cc1ncc(CN(C)Cc2cc(C)c3ncccc3c2)s1 ZINC000346169260 1123670054 /nfs/dbraw/zinc/67/00/54/1123670054.db2.gz ITBKFAAPLVXJRH-UHFFFAOYSA-N 0 1 297.427 3.940 20 0 CHADMN CCS[C@H]1CC[C@@H](N(C)Cc2ncc(CC)s2)C1 ZINC000346174122 1123670268 /nfs/dbraw/zinc/67/02/68/1123670268.db2.gz NMFMLWUDCLHZJY-YPMHNXCESA-N 0 1 284.494 3.812 20 0 CHADMN C[C@H]1CN(Cc2cnc([C@@H]3CCCO3)s2)CC(C)(C)C1 ZINC000346323413 1123679003 /nfs/dbraw/zinc/67/90/03/1123679003.db2.gz IMBSVXXTCYFQSU-OCCSQVGLSA-N 0 1 294.464 3.863 20 0 CHADMN CC[C@@H](OC(=O)Cc1n[nH]c2c1CCCC2)c1ccccc1 ZINC000777081486 1123680399 /nfs/dbraw/zinc/68/03/99/1123680399.db2.gz QNQBBAKZSJSXQT-QGZVFWFLSA-N 0 1 298.386 3.526 20 0 CHADMN FC1(F)CC[C@H](CN[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000281205539 1123687644 /nfs/dbraw/zinc/68/76/44/1123687644.db2.gz TXRWLXDQIOAVCO-JSGCOSHPSA-N 0 1 291.345 3.524 20 0 CHADMN Clc1cccnc1CN1CC[C@@H]1Cc1ccccc1 ZINC000859159180 1123687876 /nfs/dbraw/zinc/68/78/76/1123687876.db2.gz LICHSVVTINSDEL-CQSZACIVSA-N 0 1 272.779 3.552 20 0 CHADMN CC1CCC(N(C)Cc2csc(N(C)C3CC3)n2)CC1 ZINC000346476614 1123688966 /nfs/dbraw/zinc/68/89/66/1123688966.db2.gz TVAAQUVTNLNNOU-UHFFFAOYSA-N 0 1 293.480 3.752 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H](C)c1cccc(Cl)c1 ZINC000275621920 1129138938 /nfs/dbraw/zinc/13/89/38/1129138938.db2.gz IABBJPKLADXROO-CMPLNLGQSA-N 0 1 275.783 3.850 20 0 CHADMN CO[C@@H]1CCC[C@H](CC(=O)Nc2cccc(Cl)c2O)C1 ZINC000281273874 1123692301 /nfs/dbraw/zinc/69/23/01/1123692301.db2.gz RJWKUMXFZBHYEE-WDEREUQCSA-N 0 1 297.782 3.579 20 0 CHADMN Cc1cccc(C)c1[C@H](C)NCc1ccc(F)cn1 ZINC000346539993 1123693661 /nfs/dbraw/zinc/69/36/61/1123693661.db2.gz LVHZCZQARIWMLE-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN Brc1cccc(CN2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000379865392 1123695185 /nfs/dbraw/zinc/69/51/85/1123695185.db2.gz YHWGNFLIZHAUCY-AAEUAGOBSA-N 0 1 295.224 3.609 20 0 CHADMN Fc1ccc([C@H](NCCC(F)(F)F)c2cccnc2)cc1 ZINC000346556844 1123695196 /nfs/dbraw/zinc/69/51/96/1123695196.db2.gz KDQPSBKDFXITAQ-AWEZNQCLSA-N 0 1 298.283 3.852 20 0 CHADMN COc1cc2c(cc1F)CC[C@@H]2NCc1ccccc1F ZINC000281329284 1123696156 /nfs/dbraw/zinc/69/61/56/1123696156.db2.gz TXCQYTJYYGIMSL-INIZCTEOSA-N 0 1 289.325 3.751 20 0 CHADMN CCC1(CC)CCN(Cc2ccc(F)cn2)CC1 ZINC000346573537 1123696920 /nfs/dbraw/zinc/69/69/20/1123696920.db2.gz OSKDZJCWLKJCKL-UHFFFAOYSA-N 0 1 250.361 3.623 20 0 CHADMN CCc1cccc(CN[C@H](C)c2cncc(F)c2)c1 ZINC000346580897 1123697331 /nfs/dbraw/zinc/69/73/31/1123697331.db2.gz UPOYKTHFXAWDKG-GFCCVEGCSA-N 0 1 258.340 3.634 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(F)cn2)cc1F ZINC000346616374 1123698673 /nfs/dbraw/zinc/69/86/73/1123698673.db2.gz OWUFHHZDZUBYGG-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN COc1ccc2oc(CNc3ccc4nc[nH]c4c3)cc2c1 ZINC000346655751 1123705296 /nfs/dbraw/zinc/70/52/96/1123705296.db2.gz VESWPSOOSYSOEP-UHFFFAOYSA-N 0 1 293.326 3.930 20 0 CHADMN CCN(CC)C(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000346742236 1123710710 /nfs/dbraw/zinc/71/07/10/1123710710.db2.gz FOQMFGMECFYUMC-HNNXBMFYSA-N 0 1 298.430 3.529 20 0 CHADMN Cc1ncc([C@H](C)NC2(c3ccc(F)cc3)CC2)c(C)n1 ZINC000346798383 1123714320 /nfs/dbraw/zinc/71/43/20/1123714320.db2.gz UQMPILYZTVOTDT-LBPRGKRZSA-N 0 1 285.366 3.572 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NC1(c2ccc(Cl)cc2)CC1 ZINC000346801389 1123714618 /nfs/dbraw/zinc/71/46/18/1123714618.db2.gz SLCQVXVHPNRAND-LLVKDONJSA-N 0 1 289.810 3.722 20 0 CHADMN CCN(Cc1cncc(F)c1)[C@@H](C)c1ccc(F)cc1 ZINC000346822514 1123717705 /nfs/dbraw/zinc/71/77/05/1123717705.db2.gz KWNKFTYVNGTNQV-LBPRGKRZSA-N 0 1 276.330 3.943 20 0 CHADMN Cc1nc(-c2ccccc2)oc1CN1CCSC[C@@H]1C ZINC000639494964 1123751183 /nfs/dbraw/zinc/75/11/83/1123751183.db2.gz CYSKIHCSVPZCSL-LBPRGKRZSA-N 0 1 288.416 3.587 20 0 CHADMN CC(=O)c1ccc2c(c1)CN(c1ccnc(C)c1Cl)C2 ZINC000336279128 1123755843 /nfs/dbraw/zinc/75/58/43/1123755843.db2.gz GVYDKPPRGUUOOI-UHFFFAOYSA-N 0 1 286.762 3.766 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(Cl)ccc1C ZINC000336388642 1123767605 /nfs/dbraw/zinc/76/76/05/1123767605.db2.gz LAIXTKXTMNXNKW-UHFFFAOYSA-N 0 1 299.708 3.870 20 0 CHADMN CCN(CCOCC1CC1)Cc1ccc(Cl)s1 ZINC000158468742 1129144252 /nfs/dbraw/zinc/14/42/52/1129144252.db2.gz SFZVMMCWWIIMBK-UHFFFAOYSA-N 0 1 273.829 3.650 20 0 CHADMN Cc1ncc(CN2CCCC[C@@H]2c2ccccc2)o1 ZINC000862326742 1123800021 /nfs/dbraw/zinc/80/00/21/1123800021.db2.gz SPZWEWPEEXNCDX-MRXNPFEDSA-N 0 1 256.349 3.710 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2ccnc(F)c2C)c1 ZINC000862346244 1123801224 /nfs/dbraw/zinc/80/12/24/1123801224.db2.gz MYUIDJNPPFVNGA-UHFFFAOYSA-N 0 1 272.367 3.778 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1ccnc(F)c1C ZINC000862368560 1123804446 /nfs/dbraw/zinc/80/44/46/1123804446.db2.gz JCARUDVONGQUAF-HNNXBMFYSA-N 0 1 273.355 3.507 20 0 CHADMN Fc1ccc([C@@H]2CCCCN2C[C@@H]2CCCO2)c(F)c1 ZINC000339045064 1123831017 /nfs/dbraw/zinc/83/10/17/1123831017.db2.gz PIKCHAGKULHPRQ-BBRMVZONSA-N 0 1 281.346 3.671 20 0 CHADMN C[C@@H](NC[C@H](O)C1CCCCC1)c1c(F)cccc1F ZINC000475310440 1123838246 /nfs/dbraw/zinc/83/82/46/1123838246.db2.gz DJELLASJWZIADN-ABAIWWIYSA-N 0 1 283.362 3.557 20 0 CHADMN C[C@@H](NC[C@@H](O)CC1CCCC1)c1c(F)cccc1F ZINC000475312183 1123838732 /nfs/dbraw/zinc/83/87/32/1123838732.db2.gz KMTIBYAPNMKLSH-YPMHNXCESA-N 0 1 283.362 3.557 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2cncs2)c(C)o1 ZINC000119385144 1123858614 /nfs/dbraw/zinc/85/86/14/1123858614.db2.gz KXKFCISWKPBBRC-NXEZZACHSA-N 0 1 250.367 3.765 20 0 CHADMN Cc1ccccc1SC[C@@H](C)CSc1cn[nH]n1 ZINC000863308111 1123860149 /nfs/dbraw/zinc/86/01/49/1123860149.db2.gz CGIXMQMJJWBORH-SNVBAGLBSA-N 0 1 279.434 3.634 20 0 CHADMN C/C=C/C[C@@H]1CCCN(CN2C(=O)C[C@H]2c2ccccc2)C1 ZINC000863341964 1123862658 /nfs/dbraw/zinc/86/26/58/1123862658.db2.gz WMQOHYLBXJECPA-FFFWVMEBSA-N 0 1 298.430 3.596 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1ccnn1C)c1ccc(F)cc1F ZINC000192955377 1123867845 /nfs/dbraw/zinc/86/78/45/1123867845.db2.gz LBTFZLCYJDLIOB-MEDUHNTESA-N 0 1 293.361 3.746 20 0 CHADMN Cc1ccccc1CSc1nc(-c2ccccc2O)n[nH]1 ZINC000193045540 1123870364 /nfs/dbraw/zinc/87/03/64/1123870364.db2.gz LCWOCDKLBZHLHN-UHFFFAOYSA-N 0 1 297.383 3.778 20 0 CHADMN CN(C)[C@@H](CNc1ccc2ccccc2n1)c1ccco1 ZINC000301055520 1123870862 /nfs/dbraw/zinc/87/08/62/1123870862.db2.gz DYMWALWQGQRRGN-HNNXBMFYSA-N 0 1 281.359 3.543 20 0 CHADMN CCN[C@H](C)c1nc(-c2cccc(SCC)c2)no1 ZINC000863674446 1123888154 /nfs/dbraw/zinc/88/81/54/1123888154.db2.gz CKKOHSWTAMFYHR-SNVBAGLBSA-N 0 1 277.393 3.519 20 0 CHADMN Fc1cccc([C@H]2CCN(Cc3cncc(Cl)c3)C2)c1 ZINC000621254761 1129151888 /nfs/dbraw/zinc/15/18/88/1129151888.db2.gz JKQBVDCZVLVUPU-AWEZNQCLSA-N 0 1 290.769 3.864 20 0 CHADMN Fc1ccc2c(c1)nccc2N[C@@H]1CCCSC1 ZINC000301507357 1123906596 /nfs/dbraw/zinc/90/65/96/1123906596.db2.gz BUQAGEUKKMCTEF-LLVKDONJSA-N 0 1 262.353 3.681 20 0 CHADMN Fc1ccc2c(c1)nccc2N1C[C@@H]2CCC[C@H]2C1 ZINC000301589215 1123915279 /nfs/dbraw/zinc/91/52/79/1123915279.db2.gz CHZGNJUNFGWSMR-RYUDHWBXSA-N 0 1 256.324 3.610 20 0 CHADMN FC(F)(F)c1cnccc1N1CC[C@H]2CC[C@@H](C1)S2 ZINC000864089376 1123916520 /nfs/dbraw/zinc/91/65/20/1123916520.db2.gz RKJWKLSWNKBPDQ-ZJUUUORDSA-N 0 1 288.338 3.575 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](C)c1ccnc(Cl)c1 ZINC000119844380 1123917351 /nfs/dbraw/zinc/91/73/51/1123917351.db2.gz HUOVGFHECSPDOZ-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1ccnc(NCCOc2cccc(Cl)c2)c1 ZINC000301632506 1123919760 /nfs/dbraw/zinc/91/97/60/1123919760.db2.gz JSZDCRBDLVRMGW-UHFFFAOYSA-N 0 1 262.740 3.534 20 0 CHADMN Cc1cc(N2C[C@@H]3CCC[C@H]3C2)c2cc(F)ccc2n1 ZINC000301637263 1123919814 /nfs/dbraw/zinc/91/98/14/1123919814.db2.gz AHYMOFGAUSKWCA-STQMWFEESA-N 0 1 270.351 3.919 20 0 CHADMN Cc1cc(NC[C@](C)(O)C(C)C)c2cc(F)ccc2n1 ZINC000301661395 1123921756 /nfs/dbraw/zinc/92/17/56/1123921756.db2.gz JQSCYRRLPDXMHK-INIZCTEOSA-N 0 1 276.355 3.501 20 0 CHADMN Cc1cc(N[C@H]2CCC[C@@]2(C)CO)c2cc(F)ccc2n1 ZINC000301687642 1123924027 /nfs/dbraw/zinc/92/40/27/1123924027.db2.gz VFMJXXJNDYCKJW-IRXDYDNUSA-N 0 1 288.366 3.645 20 0 CHADMN CC1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000158850017 1129153725 /nfs/dbraw/zinc/15/37/25/1129153725.db2.gz HYTWXHRBIHMLTE-UHFFFAOYSA-N 0 1 291.345 3.587 20 0 CHADMN C[C@@H](OC(=O)C1(C)CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000120103067 1123934675 /nfs/dbraw/zinc/93/46/75/1123934675.db2.gz IVXDVFPAXLTHOD-MRVPVSSYSA-N 0 1 278.739 3.621 20 0 CHADMN CSc1cccc(NC(=O)c2c(C)n[nH]c2C(C)C)c1 ZINC000158887485 1129154859 /nfs/dbraw/zinc/15/48/59/1129154859.db2.gz BJUPIEBJGGKJLP-UHFFFAOYSA-N 0 1 289.404 3.816 20 0 CHADMN COc1ccc(C(C)(C)CNc2cccc(C)n2)cc1 ZINC000302232174 1123963209 /nfs/dbraw/zinc/96/32/09/1123963209.db2.gz DLAUESDYFULDPU-UHFFFAOYSA-N 0 1 270.376 3.788 20 0 CHADMN Cc1cccc(NCCCSc2ccccc2)n1 ZINC000302233154 1123963390 /nfs/dbraw/zinc/96/33/90/1123963390.db2.gz FOVVXJQZPDTNPV-UHFFFAOYSA-N 0 1 258.390 3.984 20 0 CHADMN Cc1cccc(NCCCc2nc3c(s2)CCCC3)n1 ZINC000302257820 1123965058 /nfs/dbraw/zinc/96/50/58/1123965058.db2.gz ZUIDRENHAQWJRG-UHFFFAOYSA-N 0 1 287.432 3.770 20 0 CHADMN OC[C@H](Nc1ccnc2cc(F)ccc21)c1ccsc1 ZINC000302304165 1123965875 /nfs/dbraw/zinc/96/58/75/1123965875.db2.gz ZCMXPJVFXLBUCI-HNNXBMFYSA-N 0 1 288.347 3.581 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H](c2ccccc2C)C2CC2)cn1 ZINC000428348877 1123978987 /nfs/dbraw/zinc/97/89/87/1123978987.db2.gz UVRIPHGERDPFAD-KBXCAEBGSA-N 0 1 281.403 3.895 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](c2ccccc2C)C2CC2)cn1 ZINC000428348884 1123979174 /nfs/dbraw/zinc/97/91/74/1123979174.db2.gz UVRIPHGERDPFAD-KSSFIOAISA-N 0 1 281.403 3.895 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1nc(C(C)C)ns1 ZINC000302723774 1123979930 /nfs/dbraw/zinc/97/99/30/1123979930.db2.gz NNIKPHURZMNGHE-UHFFFAOYSA-N 0 1 273.365 3.590 20 0 CHADMN Cc1csc(CCNCc2nc(C(C)(C)C)cs2)n1 ZINC000865412423 1123982140 /nfs/dbraw/zinc/98/21/40/1123982140.db2.gz NUNCDHVJPFDLSQ-UHFFFAOYSA-N 0 1 295.477 3.538 20 0 CHADMN c1nc(CNCc2cc3ccccc3s2)cn1C1CC1 ZINC000865430078 1123983377 /nfs/dbraw/zinc/98/33/77/1123983377.db2.gz BOBKLZWVAATAMZ-UHFFFAOYSA-N 0 1 283.400 3.723 20 0 CHADMN Cc1cc([C@H]2CCCN2c2ccncc2C(F)(F)F)no1 ZINC000865432435 1123984617 /nfs/dbraw/zinc/98/46/17/1123984617.db2.gz DRRTZSUCYRNVEW-CYBMUJFWSA-N 0 1 297.280 3.738 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1cn(C2CC2)cn1 ZINC000865485267 1123988038 /nfs/dbraw/zinc/98/80/38/1123988038.db2.gz TZDCXVYOUCXULF-XIKOKIGWSA-N 0 1 299.393 3.770 20 0 CHADMN Cc1c(Cl)cccc1CN[C@@H]1CCCc2c[nH]nc21 ZINC000865495864 1123989229 /nfs/dbraw/zinc/98/92/29/1123989229.db2.gz QUQHBUHNRQDUCC-CQSZACIVSA-N 0 1 275.783 3.539 20 0 CHADMN C[C@H](NCc1ccc(OC(F)F)cc1F)c1ccc[nH]1 ZINC000865512818 1123991604 /nfs/dbraw/zinc/99/16/04/1123991604.db2.gz JCWZUBZRYCSUBG-VIFPVBQESA-N 0 1 284.281 3.606 20 0 CHADMN Clc1cncc(Cl)c1CNC[C@@H]1CCCCS1 ZINC000865526699 1123992350 /nfs/dbraw/zinc/99/23/50/1123992350.db2.gz VHWHVTTYHHMWQM-VIFPVBQESA-N 0 1 291.247 3.764 20 0 CHADMN C[C@@H](CCC(F)(F)F)[NH2+]CCc1c(F)cc([O-])cc1F ZINC000897304965 1123994699 /nfs/dbraw/zinc/99/46/99/1123994699.db2.gz MKARCDOYOHXQSP-QMMMGPOBSA-N 0 1 297.267 3.534 20 0 CHADMN Cc1ccnc(CNC2(C3CCC3)CC2)c1Br ZINC000865615735 1123999448 /nfs/dbraw/zinc/99/94/48/1123999448.db2.gz AQHYOYAYLHHSBY-UHFFFAOYSA-N 0 1 295.224 3.575 20 0 CHADMN C[C@@H](CNCc1c(Cl)cncc1Cl)c1ccccn1 ZINC000865619951 1123999667 /nfs/dbraw/zinc/99/96/67/1123999667.db2.gz FYTYOIQLEJIHSU-JTQLQIEISA-N 0 1 296.201 3.677 20 0 CHADMN C[C@@H]1CCN(Cc2cncc(Cl)c2)CC12CCC2 ZINC000621272649 1129160045 /nfs/dbraw/zinc/16/00/45/1129160045.db2.gz YTDMNOJNCXQQRX-GFCCVEGCSA-N 0 1 264.800 3.747 20 0 CHADMN CC[C@](C)(NCc1cnn(C)c1Cl)c1ccc(F)cc1 ZINC000865660137 1124002754 /nfs/dbraw/zinc/00/27/54/1124002754.db2.gz JDJOSUHNHAPYJQ-HNNXBMFYSA-N 0 1 295.789 3.628 20 0 CHADMN CCCCCN(CC(=O)OCc1ccccc1)C(C)C ZINC000303411629 1124005090 /nfs/dbraw/zinc/00/50/90/1124005090.db2.gz UYPOAPAXGCEBJI-UHFFFAOYSA-N 0 1 277.408 3.630 20 0 CHADMN CCc1csc(N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)n1 ZINC000865724108 1124007994 /nfs/dbraw/zinc/00/79/94/1124007994.db2.gz HLMYZEWOVQZTOJ-BDAKNGLRSA-N 0 1 279.413 3.510 20 0 CHADMN c1nc(CN[C@@H]2C[C@@H](Sc3ccccc3)C2)cn1C1CC1 ZINC000865734504 1124009201 /nfs/dbraw/zinc/00/92/01/1124009201.db2.gz BNVPFZXSOXTMLV-WJYNOGRTSA-N 0 1 299.443 3.631 20 0 CHADMN CO[C@]1(C)CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000475558036 1124010550 /nfs/dbraw/zinc/01/05/50/1124010550.db2.gz GSTHIRDJSLKXKR-OAHLLOKOSA-N 0 1 285.790 3.870 20 0 CHADMN Cc1cnc(CN[C@H]2CCc3cccc(C)c32)s1 ZINC000925152101 1124014252 /nfs/dbraw/zinc/01/42/52/1124014252.db2.gz NEORDLPEAFWAJT-ZDUSSCGKSA-N 0 1 258.390 3.537 20 0 CHADMN COc1ccccc1[C@H](C)NCc1ccc2c(c1)COC2 ZINC000865821804 1124017985 /nfs/dbraw/zinc/01/79/85/1124017985.db2.gz QJXFSJMDIUNEHS-ZDUSSCGKSA-N 0 1 283.371 3.576 20 0 CHADMN C[C@@H](NCc1cccc(C2CCCC2)c1)c1ccnn1C ZINC000865837281 1124019491 /nfs/dbraw/zinc/01/94/91/1124019491.db2.gz BZZASKRRUADLHD-CQSZACIVSA-N 0 1 283.419 3.929 20 0 CHADMN Cc1ccsc1CN[C@H]1c2ccc(F)cc2O[C@H]1C ZINC000571678830 1124020370 /nfs/dbraw/zinc/02/03/70/1124020370.db2.gz ZDQMQZHGOYCFJT-ZUZCIYMTSA-N 0 1 277.364 3.807 20 0 CHADMN CCC(F)(F)c1ccccc1NCc1cn[nH]c1C ZINC000865841158 1124020975 /nfs/dbraw/zinc/02/09/75/1124020975.db2.gz TXJVNEYCVQNOHL-UHFFFAOYSA-N 0 1 265.307 3.832 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@H]1CCCn2ccnc21 ZINC000655720753 1124027254 /nfs/dbraw/zinc/02/72/54/1124027254.db2.gz FQMLPBMBSACVDR-OAUYIBNBSA-N 0 1 299.393 3.770 20 0 CHADMN Cc1cc2cc[nH]c2cc1NC(=O)c1cccc2cn[nH]c21 ZINC000444446555 1124027265 /nfs/dbraw/zinc/02/72/65/1124027265.db2.gz KDFYICYHXAFVAJ-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN C[C@H]1CCc2ccc(F)cc2[C@@H]1NCc1ccco1 ZINC000866215518 1124038837 /nfs/dbraw/zinc/03/88/37/1124038837.db2.gz ZIXJBPPOZWBRIY-MEDUHNTESA-N 0 1 259.324 3.832 20 0 CHADMN C[C@H]1CCc2ccc(F)cc2[C@H]1NCc1ccoc1 ZINC000866240340 1124041007 /nfs/dbraw/zinc/04/10/07/1124041007.db2.gz BTULYZMBYQIENQ-ZBEGNZNMSA-N 0 1 259.324 3.832 20 0 CHADMN Cc1cc(CN[C@@H]2c3cc(F)ccc3CC[C@@H]2C)on1 ZINC000866261906 1124042512 /nfs/dbraw/zinc/04/25/12/1124042512.db2.gz YCRMLMSKEDGCOA-QFYYESIMSA-N 0 1 274.339 3.535 20 0 CHADMN Cc1cc(CN[C@H]2c3cc(F)ccc3CC[C@H]2C)on1 ZINC000866261908 1124042580 /nfs/dbraw/zinc/04/25/80/1124042580.db2.gz YCRMLMSKEDGCOA-QLJPJBMISA-N 0 1 274.339 3.535 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2nncn2-c2ccccc2)CC1 ZINC000444636480 1124046618 /nfs/dbraw/zinc/04/66/18/1124046618.db2.gz DKJOOCVEDQQZBB-MRXNPFEDSA-N 0 1 298.434 3.525 20 0 CHADMN Cc1nccnc1CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000621327054 1129162790 /nfs/dbraw/zinc/16/27/90/1129162790.db2.gz AGYJRISZMQABLI-INIZCTEOSA-N 0 1 289.810 3.925 20 0 CHADMN CC[C@@H](NCc1nccnc1C)c1cccc(Cl)c1 ZINC000621329101 1129162814 /nfs/dbraw/zinc/16/28/14/1129162814.db2.gz PGLQRLAZQOUREJ-CQSZACIVSA-N 0 1 275.783 3.679 20 0 CHADMN OCC[C@H]1CCCN1Cc1nc(C2CCCCC2)cs1 ZINC000444686003 1124050831 /nfs/dbraw/zinc/05/08/31/1124050831.db2.gz BQMKUHFQSHUMKP-CQSZACIVSA-N 0 1 294.464 3.538 20 0 CHADMN CC[C@H]1CCCC[C@H]1N(C)Cc1nncn1-c1ccccc1 ZINC000444686162 1124050901 /nfs/dbraw/zinc/05/09/01/1124050901.db2.gz RRMIRBFQRWYIIG-DOTOQJQBSA-N 0 1 298.434 3.668 20 0 CHADMN CC(C)[C@H](N[C@H]1CN(C)Cc2ccccc21)c1ccccn1 ZINC000866311785 1124051284 /nfs/dbraw/zinc/05/12/84/1124051284.db2.gz KFXDRUMXWUAWGH-OALUTQOASA-N 0 1 295.430 3.555 20 0 CHADMN CCOc1ccccc1CN(C)[C@H](CCO)c1ccccc1 ZINC000353923350 1124059659 /nfs/dbraw/zinc/05/96/59/1124059659.db2.gz PQKUUYBHPPYAJP-GOSISDBHSA-N 0 1 299.414 3.641 20 0 CHADMN CCC[C@@]1(CO)CCCN1Cc1ccc(Cl)cc1F ZINC000444782134 1124060413 /nfs/dbraw/zinc/06/04/13/1124060413.db2.gz JLNIGHAELAVGJL-HNNXBMFYSA-N 0 1 285.790 3.606 20 0 CHADMN CCCCc1nc(CN2CCC[C@@]2(CO)CCC)cs1 ZINC000444767779 1124061083 /nfs/dbraw/zinc/06/10/83/1124061083.db2.gz ADWPWKCYAGRROR-MRXNPFEDSA-N 0 1 296.480 3.613 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCC[C@H](C(C)C)C2)n1 ZINC000444774125 1124062129 /nfs/dbraw/zinc/06/21/29/1124062129.db2.gz VBHHAFBEAAFEKQ-KGLIPLIRSA-N 0 1 279.428 3.841 20 0 CHADMN Cc1c([C@@H](C)NCC(C)(C)F)cnn1-c1ccccc1 ZINC000866408253 1124064436 /nfs/dbraw/zinc/06/44/36/1124064436.db2.gz IPMYYPWAIBWXOI-GFCCVEGCSA-N 0 1 275.371 3.579 20 0 CHADMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ccc2ccccc2n1 ZINC000444873589 1124068441 /nfs/dbraw/zinc/06/84/41/1124068441.db2.gz JSPFAIQLYKWDSI-UHFFFAOYSA-N 0 1 294.402 3.892 20 0 CHADMN CC[C@@H](c1ccccc1)N(Cc1nnc(C)[nH]1)CC(C)C ZINC000428380903 1124069139 /nfs/dbraw/zinc/06/91/39/1124069139.db2.gz ZXXYJYKOUASSIU-INIZCTEOSA-N 0 1 286.423 3.722 20 0 CHADMN CC[C@@H](NCc1ccnc(F)c1)c1cccc(F)c1 ZINC000866473832 1124069779 /nfs/dbraw/zinc/06/97/79/1124069779.db2.gz IJMDDGOSZHWCEE-CQSZACIVSA-N 0 1 262.303 3.601 20 0 CHADMN Cc1nccnc1CN[C@@H](c1ccccc1)C1CCCC1 ZINC000621331895 1129164274 /nfs/dbraw/zinc/16/42/74/1129164274.db2.gz SGCSMMHPJCNKFS-SFHVURJKSA-N 0 1 281.403 3.806 20 0 CHADMN Cc1nccnc1CN[C@H](CC(C)C)c1cccs1 ZINC000621330706 1129164374 /nfs/dbraw/zinc/16/43/74/1129164374.db2.gz YYHWYHIGKBKMLQ-CYBMUJFWSA-N 0 1 275.421 3.724 20 0 CHADMN Cc1ccccc1[C@@H](NCc1nccnc1C)C(C)C ZINC000621335308 1129164386 /nfs/dbraw/zinc/16/43/86/1129164386.db2.gz IXJLJZAJAFDAJU-KRWDZBQOSA-N 0 1 269.392 3.580 20 0 CHADMN CC(C)C[C@H]1CCN(Cc2c(F)ccc(O)c2F)C1 ZINC000508516364 1124072923 /nfs/dbraw/zinc/07/29/23/1124072923.db2.gz MIERVCCBKUYGFN-LLVKDONJSA-N 0 1 269.335 3.538 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccc(Cl)cc2)nc1 ZINC000088484496 1124074204 /nfs/dbraw/zinc/07/42/04/1124074204.db2.gz HQOQDRCTYAMTHS-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@H]1NCc1noc2ccc(F)cc12 ZINC000866511166 1124076812 /nfs/dbraw/zinc/07/68/12/1124076812.db2.gz NEWRGYATSJTRCA-ZMZPIMSZSA-N 0 1 296.345 3.990 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1Cl)N1CC[C@](C)(O)C1 ZINC000445381523 1124081889 /nfs/dbraw/zinc/08/18/89/1124081889.db2.gz YDNCCPAFCROIPF-KGLIPLIRSA-N 0 1 288.218 3.901 20 0 CHADMN CC(C)c1nc(CN(c2ccccc2)C2CCCC2)n[nH]1 ZINC000428402759 1124081932 /nfs/dbraw/zinc/08/19/32/1124081932.db2.gz SLZWCJTUCFTBIP-UHFFFAOYSA-N 0 1 284.407 3.877 20 0 CHADMN Cc1noc(C)c1[C@@H](C)CN[C@H]1CCCc2scnc21 ZINC000623923721 1124084045 /nfs/dbraw/zinc/08/40/45/1124084045.db2.gz JMJMPTILPGHYDD-CABZTGNLSA-N 0 1 291.420 3.519 20 0 CHADMN C[C@H](NCc1ccc(C(C)(C)C)o1)c1ccncc1 ZINC000866574423 1124085248 /nfs/dbraw/zinc/08/52/48/1124085248.db2.gz SZQHGRGIUAONEI-LBPRGKRZSA-N 0 1 258.365 3.823 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1ccnn1C)c1ccsc1 ZINC000866613869 1124088422 /nfs/dbraw/zinc/08/84/22/1124088422.db2.gz JRDFMJMGJYZHCS-WCQYABFASA-N 0 1 263.410 3.674 20 0 CHADMN Cc1nc(C(C)C)sc1[C@H](C)N[C@@H](C)c1ccnn1C ZINC000866612140 1124088629 /nfs/dbraw/zinc/08/86/29/1124088629.db2.gz CQVFMQVLTYQMRU-QWRGUYRKSA-N 0 1 292.452 3.720 20 0 CHADMN COc1cccc(C2(NCc3cc(C)oc3C)CC2)c1 ZINC000121763574 1124102625 /nfs/dbraw/zinc/10/26/25/1124102625.db2.gz VZJDIYFCJSMCLJ-UHFFFAOYSA-N 0 1 271.360 3.684 20 0 CHADMN CC(C)[C@@H](CC(F)(F)F)NCc1ccn(C(C)C)n1 ZINC000445878522 1124104935 /nfs/dbraw/zinc/10/49/35/1124104935.db2.gz TUVBSXILVSXXSS-GFCCVEGCSA-N 0 1 277.334 3.531 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CCCCC(C)(C)C2)n1 ZINC000446065805 1124108449 /nfs/dbraw/zinc/10/84/49/1124108449.db2.gz DDRMYWZDNHXKAP-GFCCVEGCSA-N 0 1 265.401 3.766 20 0 CHADMN CC1(C)CCCCN(Cc2nc(Cc3ccccc3)no2)C1 ZINC000446080532 1124109397 /nfs/dbraw/zinc/10/93/97/1124109397.db2.gz LWYUPHSZGXALPR-UHFFFAOYSA-N 0 1 299.418 3.673 20 0 CHADMN COc1cccc2cc(CNCc3ccc(F)cc3)oc21 ZINC000034995509 1124110187 /nfs/dbraw/zinc/11/01/87/1124110187.db2.gz CPBGSDDBIDXNIR-UHFFFAOYSA-N 0 1 285.318 3.870 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000086784627 1129166849 /nfs/dbraw/zinc/16/68/49/1129166849.db2.gz JUABXEUXTCONRZ-BLLLJJGKSA-N 0 1 295.810 3.978 20 0 CHADMN FC(F)(F)c1ccc([C@H]2C[C@H](NCc3ccon3)C2)cc1 ZINC000634980016 1129168449 /nfs/dbraw/zinc/16/84/49/1129168449.db2.gz UIOFVLFOTUKKFT-YEORSEQZSA-N 0 1 296.292 3.729 20 0 CHADMN CN(CCCCc1cccc(Cl)c1)Cc1c[nH]cn1 ZINC000621314453 1129167032 /nfs/dbraw/zinc/16/70/32/1129167032.db2.gz WVEWNGCUBGEDMA-UHFFFAOYSA-N 0 1 277.799 3.518 20 0 CHADMN CCC1(CC)CCN([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000446714594 1124119428 /nfs/dbraw/zinc/11/94/28/1124119428.db2.gz LASNRBZFMQCRPF-NSHDSACASA-N 0 1 263.385 3.520 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@H]2c2cccs2)o1 ZINC000428452166 1124120174 /nfs/dbraw/zinc/12/01/74/1124120174.db2.gz JWVOOLFGQOKBDI-LBPRGKRZSA-N 0 1 276.405 3.944 20 0 CHADMN C[C@@H](CC1CCCCC1)NC(=O)c1cccc2nc[nH]c21 ZINC000446727358 1124120265 /nfs/dbraw/zinc/12/02/65/1124120265.db2.gz VGVAPRCYHAORHX-LBPRGKRZSA-N 0 1 285.391 3.652 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H](c1cccs1)C1CC1 ZINC000446747413 1124120808 /nfs/dbraw/zinc/12/08/08/1124120808.db2.gz DGGPZNZSVCYZDU-NHYWBVRUSA-N 0 1 273.405 3.648 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1nc(CC(C)C)no1 ZINC000525328198 1124122585 /nfs/dbraw/zinc/12/25/85/1124122585.db2.gz CXYMTOBHMPZCRE-KGLIPLIRSA-N 0 1 279.428 3.669 20 0 CHADMN C[C@@H](CCNCc1ccon1)c1cccc(C(F)(F)F)c1 ZINC000634966336 1129167662 /nfs/dbraw/zinc/16/76/62/1129167662.db2.gz JSTVNQCISKQIAJ-NSHDSACASA-N 0 1 298.308 3.977 20 0 CHADMN CC(C)[C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)c2ccccc21 ZINC000446920344 1124128323 /nfs/dbraw/zinc/12/83/23/1124128323.db2.gz LSYVNEHVCACDMN-HNNXBMFYSA-N 0 1 295.386 3.687 20 0 CHADMN Clc1ccc(C2(CNCc3ccon3)CCC2)cc1 ZINC000634958292 1129167723 /nfs/dbraw/zinc/16/77/23/1129167723.db2.gz LSUSWZYYXJLQGJ-UHFFFAOYSA-N 0 1 276.767 3.540 20 0 CHADMN CC1(C)CC[C@@H](N[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000446926531 1124128648 /nfs/dbraw/zinc/12/86/48/1124128648.db2.gz YTHVLRKIVORQAO-HUUCEWRRSA-N 0 1 269.392 3.667 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@H]2CCc2ccccc2)[nH]1 ZINC000428465284 1124131616 /nfs/dbraw/zinc/13/16/16/1124131616.db2.gz WWLYPFJMEJSMCD-INIZCTEOSA-N 0 1 298.434 3.525 20 0 CHADMN CCOc1cncc(CNCc2ccc3[nH]c(C)cc3c2)c1 ZINC000621354553 1129171074 /nfs/dbraw/zinc/17/10/74/1129171074.db2.gz NEQXMAHTYFNNON-UHFFFAOYSA-N 0 1 295.386 3.560 20 0 CHADMN Cc1coc(CNCc2ccccc2C(F)(F)F)c1 ZINC000718095121 1129171114 /nfs/dbraw/zinc/17/11/14/1129171114.db2.gz SAKDXRAQNYHCDM-UHFFFAOYSA-N 0 1 269.266 3.897 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1cccc(-c2ccccc2)c1)C(=O)[O-] ZINC000414656430 1129171691 /nfs/dbraw/zinc/17/16/91/1129171691.db2.gz MULSUEGEKWAAAV-CQSZACIVSA-N 0 1 283.371 3.506 20 0 CHADMN FC(F)[C@H](NCCCc1ccncc1)C1CCCCC1 ZINC000621401849 1129173554 /nfs/dbraw/zinc/17/35/54/1129173554.db2.gz LNNXXNYDULNVCC-OAHLLOKOSA-N 0 1 282.378 3.818 20 0 CHADMN Cc1cc(F)cc(CN2CCCC23CC3)c1Cl ZINC001238777812 1131244973 /nfs/dbraw/zinc/24/49/73/1131244973.db2.gz RCGWEJOFQDNCKY-UHFFFAOYSA-N 0 1 253.748 3.916 20 0 CHADMN c1ccc(COc2ncccc2CN2CC3CC(C3)C2)cc1 ZINC001238782335 1131245777 /nfs/dbraw/zinc/24/57/77/1131245777.db2.gz RKUYYIPPEHHLAP-UHFFFAOYSA-N 0 1 294.398 3.502 20 0 CHADMN Cc1cc(F)cc(CN(C)CCc2ccncc2)c1Cl ZINC001238780002 1131245925 /nfs/dbraw/zinc/24/59/25/1131245925.db2.gz BXWVPVOOLUCXGZ-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN Cc1cc(F)cc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1Cl ZINC001238782309 1131246917 /nfs/dbraw/zinc/24/69/17/1131246917.db2.gz VUWYGGBRSSRGPM-INIZCTEOSA-N 0 1 297.801 3.790 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@]3(C2)CCCOC3)c1Cl ZINC001238782309 1131246920 /nfs/dbraw/zinc/24/69/20/1131246920.db2.gz VUWYGGBRSSRGPM-INIZCTEOSA-N 0 1 297.801 3.790 20 0 CHADMN COCC[N@@H+](Cc1cc(F)cc(C)c1Cl)C(C)C ZINC001238781213 1131246995 /nfs/dbraw/zinc/24/69/95/1131246995.db2.gz MLUJGIMXKSNXIQ-UHFFFAOYSA-N 0 1 273.779 3.644 20 0 CHADMN COCCN(Cc1cc(F)cc(C)c1Cl)C(C)C ZINC001238781213 1131246999 /nfs/dbraw/zinc/24/69/99/1131246999.db2.gz MLUJGIMXKSNXIQ-UHFFFAOYSA-N 0 1 273.779 3.644 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CCCOC(C)(C)C1 ZINC001238784644 1131247384 /nfs/dbraw/zinc/24/73/84/1131247384.db2.gz JPVGXGWMQXHEDZ-UHFFFAOYSA-N 0 1 285.790 3.788 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CC[C@H](OC(C)C)C1 ZINC001238786851 1131247993 /nfs/dbraw/zinc/24/79/93/1131247993.db2.gz HDJGTDZKYDXZQY-ZDUSSCGKSA-N 0 1 285.790 3.787 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@H](OC(C)C)C2)c1Cl ZINC001238783792 1131248302 /nfs/dbraw/zinc/24/83/02/1131248302.db2.gz JUSMIMROBPIRGV-AWEZNQCLSA-N 0 1 285.790 3.787 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(OC(C)C)ncc1F ZINC001238802662 1131248615 /nfs/dbraw/zinc/24/86/15/1131248615.db2.gz QUOLBBNNDOLNAD-CQSZACIVSA-N 0 1 280.387 3.772 20 0 CHADMN CC(C)Oc1cc(CN2CCC[C@@](C)(F)CC2)c(F)cn1 ZINC001238793839 1131249400 /nfs/dbraw/zinc/24/94/00/1131249400.db2.gz JFPBPWHMQAQLLV-MRXNPFEDSA-N 0 1 298.377 3.722 20 0 CHADMN CCCCCN(C)Cc1cc(OC(C)C)ncc1F ZINC001238794681 1131250167 /nfs/dbraw/zinc/25/01/67/1131250167.db2.gz RKVPKEPFNYZNCT-UHFFFAOYSA-N 0 1 268.376 3.630 20 0 CHADMN CC(C)Oc1cc(CN2CCCC[C@@H](C)C2)c(F)cn1 ZINC001238795041 1131250212 /nfs/dbraw/zinc/25/02/12/1131250212.db2.gz UHCZBAHATQGYRY-CYBMUJFWSA-N 0 1 280.387 3.630 20 0 CHADMN O=c1cc(CC2CCC2)[nH]n1-c1ccc(F)cc1Cl ZINC001245937002 1131255086 /nfs/dbraw/zinc/25/50/86/1131255086.db2.gz OAUUCBGBGOKNCT-UHFFFAOYSA-N 0 1 280.730 3.713 20 0 CHADMN c1cc(N2CCCC2)cc(-c2ccc(C3CC3)nc2)n1 ZINC001238850509 1131255782 /nfs/dbraw/zinc/25/57/82/1131255782.db2.gz TYINVHRMGBGOOR-UHFFFAOYSA-N 0 1 265.360 3.621 20 0 CHADMN CN(C)Cc1cccc(-c2ccc(C3CC3)nc2)c1F ZINC001238854508 1131257789 /nfs/dbraw/zinc/25/77/89/1131257789.db2.gz FHNCMWCHBBTNBZ-UHFFFAOYSA-N 0 1 270.351 3.827 20 0 CHADMN Cc1cc(Cl)ccc1-n1[nH]c(CC(F)(F)F)cc1=O ZINC001245951294 1131260410 /nfs/dbraw/zinc/26/04/10/1131260410.db2.gz AIYQORMQVQHNPV-UHFFFAOYSA-N 0 1 290.672 3.645 20 0 CHADMN CN(Cc1ccccc1)Cc1cncc(C(F)(F)F)c1 ZINC000361283093 1124466422 /nfs/dbraw/zinc/46/64/22/1124466422.db2.gz WXRMZZLGZMGBJY-UHFFFAOYSA-N 0 1 280.293 3.732 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@]12C[C@H]1CCCC2 ZINC000868332377 1124469039 /nfs/dbraw/zinc/46/90/39/1124469039.db2.gz JRFSUWBIVAKVFQ-XLKFXECMSA-N 0 1 283.730 3.704 20 0 CHADMN Cc1ccc2nc(CN[C@@H](CC(F)(F)F)C(C)C)cn2c1 ZINC000525836792 1124470383 /nfs/dbraw/zinc/47/03/83/1124470383.db2.gz TVKZMQWCMLCHAE-ZDUSSCGKSA-N 0 1 299.340 3.709 20 0 CHADMN CCCCn1cc(CN[C@@H]2CCCc3occc32)c(C)n1 ZINC000447574144 1124488202 /nfs/dbraw/zinc/48/82/02/1124488202.db2.gz LMGDWGWWDGVOOG-MRXNPFEDSA-N 0 1 287.407 3.752 20 0 CHADMN CCCN(Cc1cc[nH]n1)[C@H](CC)c1ccccc1 ZINC000508602523 1124489009 /nfs/dbraw/zinc/48/90/09/1124489009.db2.gz FHLPBDURFZVUJF-MRXNPFEDSA-N 0 1 257.381 3.773 20 0 CHADMN CCC[C@@H](C)N(C)Cc1cnc(C(F)(F)F)s1 ZINC000447740479 1124519773 /nfs/dbraw/zinc/51/97/73/1124519773.db2.gz ZZVFGUJSIGTOJE-MRVPVSSYSA-N 0 1 266.332 3.782 20 0 CHADMN [O-]c1cccc2c(NC[C@H]3CC3(Cl)Cl)cc[nH+]c12 ZINC000795067617 1124505717 /nfs/dbraw/zinc/50/57/17/1124505717.db2.gz KQEVWLOJMXIINH-MRVPVSSYSA-N 0 1 283.158 3.546 20 0 CHADMN C[C@H](CCN1CCOCC12CCCC2)c1ccccc1 ZINC000447727607 1124511778 /nfs/dbraw/zinc/51/17/78/1124511778.db2.gz CBBFSSNPQKEPAO-MRXNPFEDSA-N 0 1 273.420 3.825 20 0 CHADMN CSCc1ccc(CN(C)CCC(F)(F)F)cc1 ZINC001119935331 1131266846 /nfs/dbraw/zinc/26/68/46/1131266846.db2.gz CWPGKYHIEYEAJO-UHFFFAOYSA-N 0 1 277.355 3.934 20 0 CHADMN Cc1ccccc1[C@H](NCc1nccn1C1CC1)C1CC1 ZINC001119946964 1131266892 /nfs/dbraw/zinc/26/68/92/1131266892.db2.gz JBZIKBQVONUUOT-GOSISDBHSA-N 0 1 281.403 3.767 20 0 CHADMN CC[C@@H](Cc1nc(-c2ccn3cncc3c2)no1)C(C)C ZINC000447947218 1124544080 /nfs/dbraw/zinc/54/40/80/1124544080.db2.gz BTKAJGOEVFDHSE-LBPRGKRZSA-N 0 1 284.363 3.609 20 0 CHADMN CC1(C)C[C@H](c2ccccc2)N(CN2C(=O)CC23CCC3)C1 ZINC000819901065 1131267239 /nfs/dbraw/zinc/26/72/39/1131267239.db2.gz QJMYKSAUPFVIRC-MRXNPFEDSA-N 0 1 298.430 3.572 20 0 CHADMN CO[C@]1(C)C[C@H](NCc2ncc(C(C)(C)C)s2)C1(C)C ZINC000447942910 1124544846 /nfs/dbraw/zinc/54/48/46/1124544846.db2.gz IZJSVPKTCUKDOZ-MEDUHNTESA-N 0 1 296.480 3.734 20 0 CHADMN CCOC[C@@H](NCc1ncc(C(C)(C)C)s1)C(C)C ZINC000447899538 1124545339 /nfs/dbraw/zinc/54/53/39/1124545339.db2.gz UHARWTMDIZJOES-GFCCVEGCSA-N 0 1 284.469 3.591 20 0 CHADMN CCc1cnc(CN[C@@H]2CCC[C@H]2c2ccccc2)o1 ZINC000527078473 1124548893 /nfs/dbraw/zinc/54/88/93/1124548893.db2.gz VBRAJKJAFDURCA-JKSUJKDBSA-N 0 1 270.376 3.663 20 0 CHADMN CC(C)Oc1cnc(F)c(-c2cc3nc[nH]c3cc2F)c1 ZINC001238906858 1131268410 /nfs/dbraw/zinc/26/84/10/1131268410.db2.gz ICMUHYGZNIRGSA-UHFFFAOYSA-N 0 1 289.285 3.690 20 0 CHADMN CCS[C@@H]1CCC[C@@H](NCc2nnc(C3CC3)s2)C1 ZINC001119955060 1131268710 /nfs/dbraw/zinc/26/87/10/1131268710.db2.gz YWHHRPOHCHAEKL-VXGBXAGGSA-N 0 1 297.493 3.569 20 0 CHADMN CCc1ccc(CN(Cc2cnc(C)nc2)C2CC2)cc1 ZINC000339103741 1124571474 /nfs/dbraw/zinc/57/14/74/1124571474.db2.gz IKNZVZUVRORNJT-UHFFFAOYSA-N 0 1 281.403 3.512 20 0 CHADMN Cc1nc(C2(NCCCC(C)C)CCCCC2)no1 ZINC000527361364 1124573174 /nfs/dbraw/zinc/57/31/74/1124573174.db2.gz YNNXIMZVRVDANN-UHFFFAOYSA-N 0 1 265.401 3.563 20 0 CHADMN COCc1nc(CN2CC[C@@H](CC(C)(C)C)C2)cs1 ZINC000448553782 1124586560 /nfs/dbraw/zinc/58/65/60/1124586560.db2.gz FAQSTKZVUOIBNL-LBPRGKRZSA-N 0 1 282.453 3.548 20 0 CHADMN Cc1cc(-c2ccc3nc[nH]c3c2)cnc1OCC(C)C ZINC001238923740 1131271146 /nfs/dbraw/zinc/27/11/46/1131271146.db2.gz RTFVFWCZIOWWOT-UHFFFAOYSA-N 0 1 281.359 3.968 20 0 CHADMN Brc1cccc2c(CN3CCCC3)ccnc12 ZINC000449003436 1124631250 /nfs/dbraw/zinc/63/12/50/1124631250.db2.gz QURONJLNSLUJBI-UHFFFAOYSA-N 0 1 291.192 3.593 20 0 CHADMN Cc1cc(CN2CCO[C@@]3(CCc4ccccc43)C2)cs1 ZINC000449025490 1124632762 /nfs/dbraw/zinc/63/27/62/1124632762.db2.gz CFWHKBKYAXWBCM-SFHVURJKSA-N 0 1 299.439 3.730 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccncc1F ZINC000449028592 1124634829 /nfs/dbraw/zinc/63/48/29/1124634829.db2.gz LWJSZBKAXHPDJI-CJNGLKHVSA-N 0 1 270.351 3.599 20 0 CHADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccncc1F ZINC000449029179 1124635239 /nfs/dbraw/zinc/63/52/39/1124635239.db2.gz NQCHSOBHAKUJKJ-INIZCTEOSA-N 0 1 272.367 3.674 20 0 CHADMN C[N@@H+](CCc1cccs1)Cc1ccnn1C1CCCC1 ZINC000449031705 1124636368 /nfs/dbraw/zinc/63/63/68/1124636368.db2.gz VSDKWIVLMDDRQY-UHFFFAOYSA-N 0 1 289.448 3.734 20 0 CHADMN CN(CCc1cccs1)Cc1ccnn1C1CCCC1 ZINC000449031705 1124636372 /nfs/dbraw/zinc/63/63/72/1124636372.db2.gz VSDKWIVLMDDRQY-UHFFFAOYSA-N 0 1 289.448 3.734 20 0 CHADMN Fc1cnccc1C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449034027 1124636877 /nfs/dbraw/zinc/63/68/77/1124636877.db2.gz HNCUIESTRLKEBW-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN CN(CCC(F)(F)F)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001120390120 1131274268 /nfs/dbraw/zinc/27/42/68/1131274268.db2.gz KYRMFSYNUQOFCJ-NEPJUHHUSA-N 0 1 261.262 3.566 20 0 CHADMN CC(C)[C@H]1CN(Cc2ccnn2C2CCCC2)CCS1 ZINC000449051988 1124642890 /nfs/dbraw/zinc/64/28/90/1124642890.db2.gz YMUDVPHHPQUGLZ-MRXNPFEDSA-N 0 1 293.480 3.572 20 0 CHADMN C[C@H](NCc1ccncc1F)c1cccc(OC(F)F)c1 ZINC000449083835 1124643181 /nfs/dbraw/zinc/64/31/81/1124643181.db2.gz VSMJGDJKSHWZFE-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN C[C@H](Cc1ccoc1)NCc1coc(-c2cccs2)n1 ZINC000449098580 1124646638 /nfs/dbraw/zinc/64/66/38/1124646638.db2.gz JXYPBSUQXKFWDV-LLVKDONJSA-N 0 1 288.372 3.717 20 0 CHADMN Clc1ncccc1CNc1ccc2c(n1)CCCC2 ZINC000871865647 1124648739 /nfs/dbraw/zinc/64/87/39/1124648739.db2.gz NHHLSRRPXBKQSS-UHFFFAOYSA-N 0 1 273.767 3.621 20 0 CHADMN CC[C@@H](NCc1ccsc1)C(=O)Nc1ccc(C)cc1 ZINC000871869923 1124650327 /nfs/dbraw/zinc/65/03/27/1124650327.db2.gz BZPOXEVLAGPDKI-OAHLLOKOSA-N 0 1 288.416 3.563 20 0 CHADMN C[C@@H](NCc1ccnn1C1CCCC1)c1cccc(O)c1 ZINC000449129034 1124652738 /nfs/dbraw/zinc/65/27/38/1124652738.db2.gz BAFWDGBQDGYBPG-CYBMUJFWSA-N 0 1 285.391 3.555 20 0 CHADMN FC(F)c1cc(C2CC2)n(-c2ccc3n[nH]cc3c2)n1 ZINC000871958453 1124654584 /nfs/dbraw/zinc/65/45/84/1124654584.db2.gz XGIIPKHIMKHQBU-UHFFFAOYSA-N 0 1 274.274 3.564 20 0 CHADMN CCCCC1=NN([C@H]2CCOC3(CCCC3)C2)C(=O)[C@H]1C ZINC000871963698 1124655455 /nfs/dbraw/zinc/65/54/55/1124655455.db2.gz KTRGSXVTOCGNNJ-KBPBESRZSA-N 0 1 292.423 3.503 20 0 CHADMN CCCCc1[nH]n([C@H]2CCOC3(CCCC3)C2)c(=O)c1C ZINC000871963698 1124655457 /nfs/dbraw/zinc/65/54/57/1124655457.db2.gz KTRGSXVTOCGNNJ-KBPBESRZSA-N 0 1 292.423 3.503 20 0 CHADMN CC[C@H](NCc1c(C)nnn1CC)c1ccc(Cl)s1 ZINC000449138410 1124655569 /nfs/dbraw/zinc/65/55/69/1124655569.db2.gz BYRVNRNQOGTQFP-JTQLQIEISA-N 0 1 298.843 3.562 20 0 CHADMN Cc1ccccc1[C@@H](NCc1ccncc1F)C1CC1 ZINC000449142199 1124655837 /nfs/dbraw/zinc/65/58/37/1124655837.db2.gz SHOBPSHDYXURCF-KRWDZBQOSA-N 0 1 270.351 3.770 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccccc21)c1cc(O)ccc1F ZINC000872019738 1124658088 /nfs/dbraw/zinc/65/80/88/1124658088.db2.gz ZNHVAYVWSIVIRN-PIGZYNQJSA-N 0 1 271.335 3.869 20 0 CHADMN CCc1cc(CN[C@@H](c2ccc(F)cc2F)C(C)C)[nH]n1 ZINC000872033018 1124661825 /nfs/dbraw/zinc/66/18/25/1124661825.db2.gz APPAXGDLZRKRSL-MRXNPFEDSA-N 0 1 293.361 3.737 20 0 CHADMN CC[C@H](Nc1ccc(CN(C)C)c(F)c1)[C@H]1CCCOC1 ZINC000872060367 1124670039 /nfs/dbraw/zinc/67/00/39/1124670039.db2.gz PYOGUWYMUOTRMO-YOEHRIQHSA-N 0 1 294.414 3.504 20 0 CHADMN C[C@@H](NCC1(C(F)(F)F)CC1)c1cc(O)ccc1F ZINC000872071297 1124674548 /nfs/dbraw/zinc/67/45/48/1124674548.db2.gz NDAYZRWPOJFHSB-MRVPVSSYSA-N 0 1 277.261 3.524 20 0 CHADMN Fc1cnccc1CN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000449233149 1124675768 /nfs/dbraw/zinc/67/57/68/1124675768.db2.gz XLLXMOGDPFXKNK-KBOKABMXSA-N 0 1 282.362 3.899 20 0 CHADMN C[C@@H](N[C@H]1CCCCc2ccccc2C1)c1csnn1 ZINC000872081181 1124677565 /nfs/dbraw/zinc/67/75/65/1124677565.db2.gz WOHLUFVQQYTHDB-DOMZBBRYSA-N 0 1 287.432 3.526 20 0 CHADMN CN(Cc1ncccc1Cl)C1CCC(F)(F)CC1 ZINC000528501961 1124677807 /nfs/dbraw/zinc/67/78/07/1124677807.db2.gz HVRPBRUREQUEGG-UHFFFAOYSA-N 0 1 274.742 3.745 20 0 CHADMN C/C(Cl)=C/CN1C[C@@H](C)N(C/C=C(/C)Cl)[C@@H](C)C1 ZINC000528486243 1124679448 /nfs/dbraw/zinc/67/94/48/1124679448.db2.gz OJENQRQGAREMFO-RHJFQAKUSA-N 0 1 291.266 3.666 20 0 CHADMN FC(F)(F)c1ncccc1CN1CC[C@H](CC2CC2)C1 ZINC000528513203 1124680020 /nfs/dbraw/zinc/68/00/20/1124680020.db2.gz QOYMWOHBKWVPSB-GFCCVEGCSA-N 0 1 284.325 3.722 20 0 CHADMN COc1cccc(CN[C@H](C)c2cccc(O)c2F)c1C ZINC000872087862 1124681034 /nfs/dbraw/zinc/68/10/34/1124681034.db2.gz JFNNSZPXFRQOLX-GFCCVEGCSA-N 0 1 289.350 3.699 20 0 CHADMN Cc1cscc1CNCc1ccnn1C1CCCC1 ZINC000449288451 1124684754 /nfs/dbraw/zinc/68/47/54/1124684754.db2.gz NAHLWNZALFZWQJ-UHFFFAOYSA-N 0 1 275.421 3.658 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1ccc(C(C)(C)C)s1 ZINC000872106746 1124684779 /nfs/dbraw/zinc/68/47/79/1124684779.db2.gz LBHBXDFZYVYMPO-GFCCVEGCSA-N 0 1 289.448 3.995 20 0 CHADMN Cc1ncncc1[C@@H](C)NCc1ccc(C(C)(C)C)s1 ZINC000872107333 1124684990 /nfs/dbraw/zinc/68/49/90/1124684990.db2.gz PMTLEFSDHREDIK-LLVKDONJSA-N 0 1 289.448 3.995 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CCN1Cc1ccncc1F ZINC000449299661 1124686041 /nfs/dbraw/zinc/68/60/41/1124686041.db2.gz BKDYMWVNMKLSGB-HOCLYGCPSA-N 0 1 284.378 3.989 20 0 CHADMN C[C@H](CC(C)(C)C)NCc1noc(-c2ccccc2F)n1 ZINC000449292270 1124687835 /nfs/dbraw/zinc/68/78/35/1124687835.db2.gz PVTRMFMNPCRDLQ-LLVKDONJSA-N 0 1 291.370 3.790 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccc3oc(=O)[nH]c3c2)o1 ZINC000872123605 1124689487 /nfs/dbraw/zinc/68/94/87/1124689487.db2.gz SAHJXGGFUVPRHM-SNVBAGLBSA-N 0 1 286.331 3.540 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccc3oc(=O)[nH]c3c2)o1 ZINC000872123604 1124689648 /nfs/dbraw/zinc/68/96/48/1124689648.db2.gz SAHJXGGFUVPRHM-JTQLQIEISA-N 0 1 286.331 3.540 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1cc(F)cc(OC)c1 ZINC000449333503 1124691947 /nfs/dbraw/zinc/69/19/47/1124691947.db2.gz VODHXRZVGWCBHF-KRWDZBQOSA-N 0 1 288.366 3.812 20 0 CHADMN CC[C@@H]1CCN1Cc1cnc(-c2ccccc2F)s1 ZINC000449340704 1124693419 /nfs/dbraw/zinc/69/34/19/1124693419.db2.gz PVSHPFPBEQQZPL-LLVKDONJSA-N 0 1 276.380 3.934 20 0 CHADMN CC[C@H](N[C@@H](C)c1nccnc1C)c1cccc(C)c1 ZINC000872134618 1124693656 /nfs/dbraw/zinc/69/36/56/1124693656.db2.gz SQGLBIQTHBDTNY-HOCLYGCPSA-N 0 1 269.392 3.895 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872168186 1124696529 /nfs/dbraw/zinc/69/65/29/1124696529.db2.gz RACUHUZTCLWIGP-IJEWVQPXSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@H](Cc1cccc(C)c1)c1nc([C@H](N)C(C)C)no1 ZINC000872170222 1124698448 /nfs/dbraw/zinc/69/84/48/1124698448.db2.gz FPFRZPQMCCFWGW-HUUCEWRRSA-N 0 1 287.407 3.770 20 0 CHADMN C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1Cc1ccncc1F ZINC000449366358 1124701464 /nfs/dbraw/zinc/70/14/64/1124701464.db2.gz VXRXJHJOEPKPOP-HOSYDEDBSA-N 0 1 290.304 3.772 20 0 CHADMN CC[C@@H](N[C@@H](C)CCc1cccc(F)c1)C(F)F ZINC000449363305 1124711971 /nfs/dbraw/zinc/71/19/71/1124711971.db2.gz PHIUVBYHTAOLKQ-GXFFZTMASA-N 0 1 259.315 3.780 20 0 CHADMN CCCCOc1ncc(-c2cc3[nH]cnc3cn2)cc1C ZINC001238959772 1131278980 /nfs/dbraw/zinc/27/89/80/1131278980.db2.gz ISPRKIRXEXVYGB-UHFFFAOYSA-N 0 1 282.347 3.507 20 0 CHADMN C[C@@H](CN1CCOC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000449383307 1124718166 /nfs/dbraw/zinc/71/81/66/1124718166.db2.gz GKOJAXYBGTXUAR-RYUDHWBXSA-N 0 1 287.325 3.530 20 0 CHADMN FC1(F)CCC[N@@H+](Cc2ccc(N3CCCC3)o2)CC1 ZINC001137061316 1124723839 /nfs/dbraw/zinc/72/38/39/1124723839.db2.gz QGTWHYBJEDRUHB-UHFFFAOYSA-N 0 1 284.350 3.501 20 0 CHADMN FC1(F)CCCN(Cc2ccc(N3CCCC3)o2)CC1 ZINC001137061316 1124723846 /nfs/dbraw/zinc/72/38/46/1124723846.db2.gz QGTWHYBJEDRUHB-UHFFFAOYSA-N 0 1 284.350 3.501 20 0 CHADMN CCOC1CC2(C[C@H]2Nc2ccnc3cc(F)ccc32)C1 ZINC000872776739 1124728603 /nfs/dbraw/zinc/72/86/03/1124728603.db2.gz NRYLOIFRNNJBSK-PTXATLKXSA-N 0 1 286.350 3.743 20 0 CHADMN CC1=C[C@H](C)C[C@H](CN2CC(C)(C)[C@H]2c2nccn2C)C1 ZINC000449411240 1124729940 /nfs/dbraw/zinc/72/99/40/1124729940.db2.gz AQZYGRNGCRKURD-CWRNSKLLSA-N 0 1 287.451 3.795 20 0 CHADMN Cc1ccccc1CN(C)Cc1ccc(N2CCCC2)o1 ZINC001137066356 1124733984 /nfs/dbraw/zinc/73/39/84/1124733984.db2.gz NLVXMKMNAGDDDH-UHFFFAOYSA-N 0 1 284.403 3.820 20 0 CHADMN CSc1ccc(CN(C)[C@H](CO)c2ccccc2)s1 ZINC000449451409 1124742117 /nfs/dbraw/zinc/74/21/17/1124742117.db2.gz IPUQQQDUQXFLIC-CQSZACIVSA-N 0 1 293.457 3.635 20 0 CHADMN Fc1ccc([C@@H](NCc2cncnc2)C2CC2)cc1Cl ZINC000449449453 1124742427 /nfs/dbraw/zinc/74/24/27/1124742427.db2.gz LRHSNLWDEKCVTF-HNNXBMFYSA-N 0 1 291.757 3.510 20 0 CHADMN Cc1cc(CN(C)[C@@H](CO)c2ccc(Cl)cc2)cs1 ZINC000449452490 1124744090 /nfs/dbraw/zinc/74/40/90/1124744090.db2.gz KYQTVRYEWZYNEX-HNNXBMFYSA-N 0 1 295.835 3.875 20 0 CHADMN CC(C)OC1(CNCc2csc(C(C)(C)C)n2)CCC1 ZINC000873167372 1124744647 /nfs/dbraw/zinc/74/46/47/1124744647.db2.gz UNTNFMCWQBCAJI-UHFFFAOYSA-N 0 1 296.480 3.878 20 0 CHADMN CC(C)(C)c1ncc(CN2CCC(CF)CC2)s1 ZINC000449453234 1124745979 /nfs/dbraw/zinc/74/59/79/1124745979.db2.gz HRGXYIPKPSLCOG-UHFFFAOYSA-N 0 1 270.417 3.622 20 0 CHADMN C[C@@H]1C[C@H](C(F)(F)F)CCN1C/C=C/c1ccncc1 ZINC000449458442 1124747538 /nfs/dbraw/zinc/74/75/38/1124747538.db2.gz IDRXWNOKJQCPPW-SDEBIZQBSA-N 0 1 284.325 3.758 20 0 CHADMN CCc1ccc(CN2CC[C@H](C(F)(F)F)C[C@H]2C)cn1 ZINC000449460168 1124747905 /nfs/dbraw/zinc/74/79/05/1124747905.db2.gz MQRSYRGOMBBRNM-YPMHNXCESA-N 0 1 286.341 3.807 20 0 CHADMN Cc1cnccc1CN[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000873185944 1124748312 /nfs/dbraw/zinc/74/83/12/1124748312.db2.gz XYVZQHJOVSUZOZ-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN FCC1CCN(C/C=C/c2ccc(F)cc2F)CC1 ZINC000449460312 1124748351 /nfs/dbraw/zinc/74/83/51/1124748351.db2.gz RGWAUUUMNFFTGX-OWOJBTEDSA-N 0 1 269.310 3.660 20 0 CHADMN c1sc(C2CC2)nc1CNC1CC(Nc2ccccc2)C1 ZINC000873191892 1124748943 /nfs/dbraw/zinc/74/89/43/1124748943.db2.gz YSXNHPNNVWWXCP-UHFFFAOYSA-N 0 1 299.443 3.753 20 0 CHADMN CCO[C@@H]1CCN(Cc2ccc(OC)cc2Cl)C[C@H]1C ZINC000449490984 1124760600 /nfs/dbraw/zinc/76/06/00/1124760600.db2.gz DRHHQFITELNTNC-MLGOLLRUSA-N 0 1 297.826 3.596 20 0 CHADMN CO[C@H]1CCN(Cc2cccc(Cl)c2Cl)C[C@H]1C ZINC000449494822 1124761435 /nfs/dbraw/zinc/76/14/35/1124761435.db2.gz HBCXAHAGLHYNHV-MFKMUULPSA-N 0 1 288.218 3.850 20 0 CHADMN CC(C)(C)c1cnc(CNC[C@@H]2CCCC2(F)F)s1 ZINC000449494706 1124762637 /nfs/dbraw/zinc/76/26/37/1124762637.db2.gz NIZBLSXYWYTQHR-JTQLQIEISA-N 0 1 288.407 3.966 20 0 CHADMN CC1(C)Cc2occc2[C@@H](NCc2cc(N)cc(F)c2)C1 ZINC000873288544 1124762635 /nfs/dbraw/zinc/76/26/35/1124762635.db2.gz IDAZXHLIFBYBSF-HNNXBMFYSA-N 0 1 288.366 3.804 20 0 CHADMN Cc1csc(CNCc2ccnn2C2CCCC2)c1 ZINC000449482028 1124763742 /nfs/dbraw/zinc/76/37/42/1124763742.db2.gz XJWLTGHTGWLLAZ-UHFFFAOYSA-N 0 1 275.421 3.658 20 0 CHADMN CO[C@@H]1CCN(C/C=C/c2ccc(F)cc2F)CC1(C)C ZINC000449495723 1124770962 /nfs/dbraw/zinc/77/09/62/1124770962.db2.gz DVBGRWTZTLCNKN-DWTRPJMMSA-N 0 1 295.373 3.725 20 0 CHADMN CC(C)=CCC[C@@H](C)CC(=O)N1CCN(C(C)(C)C)CC1 ZINC001136344798 1131291112 /nfs/dbraw/zinc/29/11/12/1131291112.db2.gz VFUGNNUBOICFDW-MRXNPFEDSA-N 0 1 294.483 3.702 20 0 CHADMN CCn1ccnc1[C@H](C)NC/C=C\c1ccc(F)c(F)c1 ZINC000449567916 1124804942 /nfs/dbraw/zinc/80/49/42/1124804942.db2.gz ZJVRLXRYAWGNRR-RXNFCKPNSA-N 0 1 291.345 3.545 20 0 CHADMN CO[C@H]1C[C@H](N(C)Cc2cnc(C(C)C)s2)C12CCC2 ZINC000449630392 1124826527 /nfs/dbraw/zinc/82/65/27/1124826527.db2.gz HTYTYLVYZWMFSS-KBPBESRZSA-N 0 1 294.464 3.656 20 0 CHADMN CN(CC(=O)N(C)c1cccc2ccccc21)CC(C)(C)C ZINC001136407794 1131315740 /nfs/dbraw/zinc/31/57/40/1131315740.db2.gz QMFRUPLXKSEDJT-UHFFFAOYSA-N 0 1 298.430 3.781 20 0 CHADMN CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1ccc(O)c(F)c1 ZINC001204690211 1124843730 /nfs/dbraw/zinc/84/37/30/1124843730.db2.gz MPUXEHNUSOUWCD-SWLSCSKDSA-N 0 1 265.372 3.932 20 0 CHADMN CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1ccc([O-])c(F)c1 ZINC001204690211 1124843735 /nfs/dbraw/zinc/84/37/35/1124843735.db2.gz MPUXEHNUSOUWCD-SWLSCSKDSA-N 0 1 265.372 3.932 20 0 CHADMN CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1ccc([O-])c(F)c1 ZINC001204690211 1124843742 /nfs/dbraw/zinc/84/37/42/1124843742.db2.gz MPUXEHNUSOUWCD-SWLSCSKDSA-N 0 1 265.372 3.932 20 0 CHADMN Cc1cc(F)ccc1[C@@H]1CCCN1Cc1cncs1 ZINC000449731355 1124850415 /nfs/dbraw/zinc/85/04/15/1124850415.db2.gz IGLGZTKAYLHANR-HNNXBMFYSA-N 0 1 276.380 3.928 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C[C@H](C)c3ccco3)ccc12 ZINC000528949638 1124857688 /nfs/dbraw/zinc/85/76/88/1124857688.db2.gz VNTBMTYQEFELGA-JTQLQIEISA-N 0 1 283.331 3.597 20 0 CHADMN Cc1ccc([O-])c(C[NH2+][C@@](C)(Cc2ccccc2)C2CC2)n1 ZINC000449774867 1124867555 /nfs/dbraw/zinc/86/75/55/1124867555.db2.gz LHVQQKSSHFVWLJ-IBGZPJMESA-N 0 1 296.414 3.597 20 0 CHADMN CC(C)Oc1ncc(Cl)cc1-c1ccc2cncn2c1 ZINC001239319349 1131316687 /nfs/dbraw/zinc/31/66/87/1131316687.db2.gz QPEWNKXTUUCWKB-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN CC[N@@H+](Cc1ccsc1)Cc1ccc(OC)c(OC)c1 ZINC000120304486 1124919610 /nfs/dbraw/zinc/91/96/10/1124919610.db2.gz WIUJZRQYMPMPPH-UHFFFAOYSA-N 0 1 291.416 3.787 20 0 CHADMN CCN(Cc1ccsc1)Cc1ccc(OC)c(OC)c1 ZINC000120304486 1124919615 /nfs/dbraw/zinc/91/96/15/1124919615.db2.gz WIUJZRQYMPMPPH-UHFFFAOYSA-N 0 1 291.416 3.787 20 0 CHADMN CCCC[C@H](CCC)NC(=O)c1sccc1CN(C)C ZINC000450102142 1124930201 /nfs/dbraw/zinc/93/02/01/1124930201.db2.gz FSPCHQWRKQLTAL-AWEZNQCLSA-N 0 1 296.480 3.898 20 0 CHADMN CCC1(CC)[C@H](N[C@H](C)c2csc(C)n2)C[C@H]1OC ZINC000358287906 1124930887 /nfs/dbraw/zinc/93/08/87/1124930887.db2.gz MTIFCRRGTQEOMO-LERXQTSPSA-N 0 1 282.453 3.696 20 0 CHADMN C[C@@H](c1ccccc1)N(Cc1ccc(Cl)nn1)C1CC1 ZINC000876569260 1124961986 /nfs/dbraw/zinc/96/19/86/1124961986.db2.gz DOGHOHOIONTXOK-LBPRGKRZSA-N 0 1 287.794 3.856 20 0 CHADMN CC(C)CN(Cc1nnc(C(C)C)s1)C(C)C ZINC000450264989 1124964964 /nfs/dbraw/zinc/96/49/64/1124964964.db2.gz WBDRHKDIYBWAFD-UHFFFAOYSA-N 0 1 255.431 3.528 20 0 CHADMN CCOP(=O)(CCCN1Cc2ccccc2C1)OCC ZINC000876695964 1124971406 /nfs/dbraw/zinc/97/14/06/1124971406.db2.gz MQSGDEZGNQWMDL-UHFFFAOYSA-N 0 1 297.335 3.658 20 0 CHADMN CCC[C@@H](CC(C)C)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000450296027 1124974198 /nfs/dbraw/zinc/97/41/98/1124974198.db2.gz COOXYGNJXGEILA-OLZOCXBDSA-N 0 1 294.443 3.568 20 0 CHADMN CCC[C@@H]1CCC[C@H]1C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000450313698 1124977431 /nfs/dbraw/zinc/97/74/31/1124977431.db2.gz RMAVBYGTGVJFON-ZIAGYGMSSA-N 0 1 299.418 3.704 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1ccc(Cl)nn1 ZINC000876770964 1124977870 /nfs/dbraw/zinc/97/78/70/1124977870.db2.gz LDXHFRVWYGIWAW-WFASDCNBSA-N 0 1 287.794 3.508 20 0 CHADMN COC[C@H]1CCCN(Cc2ccsc2C(F)(F)F)C1 ZINC000529531071 1124981124 /nfs/dbraw/zinc/98/11/24/1124981124.db2.gz FKCFOTSIHKOWKY-JTQLQIEISA-N 0 1 293.354 3.625 20 0 CHADMN CC(C)[C@@H](NCc1ccc(Cl)nn1)c1ccc(F)cc1 ZINC000876901162 1124988916 /nfs/dbraw/zinc/98/89/16/1124988916.db2.gz AIYHCEVDZNZESY-OAHLLOKOSA-N 0 1 293.773 3.756 20 0 CHADMN Cc1ccccc1Cc1nnc(CN(C)C2CCCCC2)o1 ZINC000120846654 1124995272 /nfs/dbraw/zinc/99/52/72/1124995272.db2.gz JUPIIRLKXHMVLD-UHFFFAOYSA-N 0 1 299.418 3.733 20 0 CHADMN CC(C)[C@H]1N(Cc2ccncc2Cl)CC12CCC2 ZINC000529574225 1124998630 /nfs/dbraw/zinc/99/86/30/1124998630.db2.gz PHTCZMFNSRGBDH-CQSZACIVSA-N 0 1 264.800 3.746 20 0 CHADMN CC[C@H](CC(F)(F)F)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000450366349 1125002727 /nfs/dbraw/zinc/00/27/27/1125002727.db2.gz ULBMFZTWZNGFLZ-SECBINFHSA-N 0 1 299.296 3.788 20 0 CHADMN CCC(CC)c1cc(CNC[C@H]2CC2(Cl)Cl)on1 ZINC000877064110 1125004207 /nfs/dbraw/zinc/00/42/07/1125004207.db2.gz NEBMNHAATIKWHG-SNVBAGLBSA-N 0 1 291.222 3.862 20 0 CHADMN CC(C)N1CCC[C@H]1C(=O)Nc1ccccc1C(C)(F)F ZINC000821333019 1131324813 /nfs/dbraw/zinc/32/48/13/1131324813.db2.gz DVOGJGPCRCKLOY-AWEZNQCLSA-N 0 1 296.361 3.610 20 0 CHADMN CO[C@@H](CN[C@@H](c1cccc(C)c1)c1ccccn1)C(C)C ZINC000877124632 1125011255 /nfs/dbraw/zinc/01/12/55/1125011255.db2.gz YNLWGJZKRLEPBJ-OALUTQOASA-N 0 1 298.430 3.740 20 0 CHADMN CO[C@H](CN[C@H](c1cccc(C)c1)c1ccccn1)C(C)C ZINC000877124636 1125011481 /nfs/dbraw/zinc/01/14/81/1125011481.db2.gz YNLWGJZKRLEPBJ-RTBURBONSA-N 0 1 298.430 3.740 20 0 CHADMN CCC[C@@H](O)CN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000450405755 1125013916 /nfs/dbraw/zinc/01/39/16/1125013916.db2.gz FBBJLDOBKKHMNC-CABCVRRESA-N 0 1 299.867 3.591 20 0 CHADMN C[C@](N)(C(=O)Nc1ccc(C2CC2)cc1F)c1ccccc1 ZINC000877261944 1125020864 /nfs/dbraw/zinc/02/08/64/1125020864.db2.gz SYBXGDURCCJAFA-GOSISDBHSA-N 0 1 298.361 3.516 20 0 CHADMN CC[C@H]1CCCCCN1Cc1nnc(C2CC2)s1 ZINC000450430487 1125022539 /nfs/dbraw/zinc/02/25/39/1125022539.db2.gz SCLBGYJHXSMVBT-LBPRGKRZSA-N 0 1 265.426 3.570 20 0 CHADMN CCC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C(C)=O)ccc1O ZINC000450436176 1125023858 /nfs/dbraw/zinc/02/38/58/1125023858.db2.gz IUPPNWDATQKFIU-TZMCWYRMSA-N 0 1 289.375 3.750 20 0 CHADMN CC(C)c1nnc(CN2C[C@@H](C)CCC[C@@H]2C)s1 ZINC000450437743 1125025221 /nfs/dbraw/zinc/02/52/21/1125025221.db2.gz TYNJXIOWJZUVTG-RYUDHWBXSA-N 0 1 267.442 3.672 20 0 CHADMN CCCN(CCC)C(=O)CN1CCC[C@@H]1c1cccs1 ZINC000302749413 1125029223 /nfs/dbraw/zinc/02/92/23/1125029223.db2.gz UTQMYCHMRQNOMF-CQSZACIVSA-N 0 1 294.464 3.534 20 0 CHADMN Fc1ccc2oc(CN3CC(Cc4ccco4)C3)cc2c1 ZINC000529648715 1125029649 /nfs/dbraw/zinc/02/96/49/1125029649.db2.gz IAGALBQYJMMLJW-UHFFFAOYSA-N 0 1 285.318 3.839 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1ccc(Cl)nn1 ZINC000877476215 1125030938 /nfs/dbraw/zinc/03/09/38/1125030938.db2.gz YFOQDUCKGSXEPZ-JLHYYAGUSA-N 0 1 287.794 3.665 20 0 CHADMN C[C@H]1CC2(CCC2)CN1Cc1cccnc1Br ZINC000877478597 1125032103 /nfs/dbraw/zinc/03/21/03/1125032103.db2.gz OOVFBTGODUDUGX-NSHDSACASA-N 0 1 295.224 3.609 20 0 CHADMN CC[C@H](NCc1ccc(COC)cc1)c1c(C)noc1C ZINC000121229321 1125068804 /nfs/dbraw/zinc/06/88/04/1125068804.db2.gz DKPKAXAWJINUKI-INIZCTEOSA-N 0 1 288.391 3.679 20 0 CHADMN O[C@H]1C[C@@H](c2ccc(F)c(F)c2)N(CC2=CCCCC2)C1 ZINC000450627398 1125069770 /nfs/dbraw/zinc/06/97/70/1125069770.db2.gz YCSRBZYVSCVICU-YOEHRIQHSA-N 0 1 293.357 3.573 20 0 CHADMN CC(F)(F)C(C)(C)CNCc1nc2ccccc2o1 ZINC000877731103 1125070593 /nfs/dbraw/zinc/07/05/93/1125070593.db2.gz PMKODWTWHIHYOB-UHFFFAOYSA-N 0 1 268.307 3.599 20 0 CHADMN O=C(CCCN1CCc2ccsc2C1)c1ccccc1 ZINC000450636053 1125077359 /nfs/dbraw/zinc/07/73/59/1125077359.db2.gz LYIDLVPIKFRZGP-UHFFFAOYSA-N 0 1 285.412 3.769 20 0 CHADMN Cc1nc(CN2CC[C@]3(CCc4ccccc43)C2)cs1 ZINC000877810832 1125083120 /nfs/dbraw/zinc/08/31/20/1125083120.db2.gz PAQNWCAWLADCMY-QGZVFWFLSA-N 0 1 284.428 3.541 20 0 CHADMN CO[C@@H](C)[C@@H](C)NCc1c(Cl)cccc1Cl ZINC000390451293 1125088093 /nfs/dbraw/zinc/08/80/93/1125088093.db2.gz ZPWLMXGVMBJBAE-BDAKNGLRSA-N 0 1 262.180 3.506 20 0 CHADMN Clc1ncsc1CN1CC[C@@H](c2ccccc2)C1 ZINC000878014576 1125112037 /nfs/dbraw/zinc/11/20/37/1125112037.db2.gz OQRWTBPYVXZFKS-GFCCVEGCSA-N 0 1 278.808 3.786 20 0 CHADMN Cc1ccccc1[C@H]1CCN(Cc2nc3c(o2)CCCC3)C1 ZINC000878031358 1125113394 /nfs/dbraw/zinc/11/33/94/1125113394.db2.gz XOIMPHMPODAJML-HNNXBMFYSA-N 0 1 296.414 3.851 20 0 CHADMN CCS[C@H]1CCCCN(Cc2nc3c(o2)CCCC3)C1 ZINC000878098013 1125120485 /nfs/dbraw/zinc/12/04/85/1125120485.db2.gz RGBZPWSAKIZQCE-ZDUSSCGKSA-N 0 1 294.464 3.661 20 0 CHADMN Cc1conc1CN1CCC[C@](C)(c2ccccc2)C1 ZINC000878104850 1125120695 /nfs/dbraw/zinc/12/06/95/1125120695.db2.gz QUXDZVIDXXVIRF-KRWDZBQOSA-N 0 1 270.376 3.537 20 0 CHADMN Cc1conc1CN1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000878117229 1125120713 /nfs/dbraw/zinc/12/07/13/1125120713.db2.gz MEOYERBCJBIMDB-OCCSQVGLSA-N 0 1 274.339 3.500 20 0 CHADMN Cc1conc1CN1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000878117228 1125120873 /nfs/dbraw/zinc/12/08/73/1125120873.db2.gz MEOYERBCJBIMDB-JSGCOSHPSA-N 0 1 274.339 3.500 20 0 CHADMN Clc1ncsc1CN1C2CCCC1CCC2 ZINC000878133734 1125122096 /nfs/dbraw/zinc/12/20/96/1125122096.db2.gz LSMIUCHNJCNXQT-UHFFFAOYSA-N 0 1 256.802 3.704 20 0 CHADMN Fc1cccc([C@@H]2CCN2C[C@H]2CC3(CCC3)CO2)c1 ZINC000878165733 1125127771 /nfs/dbraw/zinc/12/77/71/1125127771.db2.gz DBTSAPLJSJBZKU-CVEARBPZSA-N 0 1 275.367 3.532 20 0 CHADMN CN(Cc1cccnc1)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878298566 1125138035 /nfs/dbraw/zinc/13/80/35/1125138035.db2.gz JBZWIWBZJPTRSJ-MOPGFXCFSA-N 0 1 296.414 3.824 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1nc(C(C)(C)C)cs1 ZINC000451128426 1125138130 /nfs/dbraw/zinc/13/81/30/1125138130.db2.gz XDGQTBWJQTXEMK-KXNHARMFSA-N 0 1 282.453 3.657 20 0 CHADMN C[C@@H]1CC[C@H](N[C@@H](CO)c2c(Cl)cccc2Cl)C1 ZINC000530281694 1125138226 /nfs/dbraw/zinc/13/82/26/1125138226.db2.gz MPXDASXILQOPCP-NRUUGDAUSA-N 0 1 288.218 3.805 20 0 CHADMN CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC000530336273 1125144259 /nfs/dbraw/zinc/14/42/59/1125144259.db2.gz AOBMVUJNTDAZFL-CABCVRRESA-N 0 1 285.790 3.605 20 0 CHADMN CC[C@H](O)[C@H]1CCCCN1Cc1ccc(F)c(Cl)c1 ZINC000530336273 1125144261 /nfs/dbraw/zinc/14/42/61/1125144261.db2.gz AOBMVUJNTDAZFL-CABCVRRESA-N 0 1 285.790 3.605 20 0 CHADMN CC1CCC(C)(CN[C@@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000530366110 1125145539 /nfs/dbraw/zinc/14/55/39/1125145539.db2.gz KNIKNCVXUHVLIQ-BFHRDPOASA-N 0 1 298.434 3.700 20 0 CHADMN c1ccc(C[C@@H](NCc2nc3c(o2)CCCC3)C2CC2)cc1 ZINC000878378938 1125147518 /nfs/dbraw/zinc/14/75/18/1125147518.db2.gz QTYKPSZFRKTQCG-QGZVFWFLSA-N 0 1 296.414 3.664 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2nc3c(o2)CCCC3)[C@@H]2CCCC[C@@H]21 ZINC000878399811 1125148726 /nfs/dbraw/zinc/14/87/26/1125148726.db2.gz QPDFUKDEIZWXCB-UMVBOHGHSA-N 0 1 274.408 3.564 20 0 CHADMN C[N@H+](Cc1scnc1Cl)C[C@@H]1CC=CCC1 ZINC000878403773 1125148766 /nfs/dbraw/zinc/14/87/66/1125148766.db2.gz IDSZBJUKURCPSP-SNVBAGLBSA-N 0 1 256.802 3.585 20 0 CHADMN CN(Cc1scnc1Cl)C[C@@H]1CC=CCC1 ZINC000878403773 1125148767 /nfs/dbraw/zinc/14/87/67/1125148767.db2.gz IDSZBJUKURCPSP-SNVBAGLBSA-N 0 1 256.802 3.585 20 0 CHADMN C=C/C=C/CCN[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000878424452 1125153054 /nfs/dbraw/zinc/15/30/54/1125153054.db2.gz RCMNTJTUYZSVGR-ITKZLYELSA-N 0 1 287.338 3.659 20 0 CHADMN CCS[C@H]1CCCC[C@H]1NCc1nc2c(o1)CCCC2 ZINC000878456014 1125155464 /nfs/dbraw/zinc/15/54/64/1125155464.db2.gz HEMAUNBWCPMKTC-HIFRSBDPSA-N 0 1 294.464 3.707 20 0 CHADMN Cc1ccncc1CN(C)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878540289 1125159891 /nfs/dbraw/zinc/15/98/91/1125159891.db2.gz LMXXVAMFILJRFJ-RBUKOAKNSA-N 0 1 296.414 3.742 20 0 CHADMN C=C/C=C/CCN1CCCC[C@H]1c1nccn1CC ZINC000878547540 1125161637 /nfs/dbraw/zinc/16/16/37/1125161637.db2.gz JTIYSNUUACSSJT-NFAHFFEMSA-N 0 1 259.397 3.562 20 0 CHADMN CS[C@@H]1CC[N@@H+](Cc2ccc3ccc(Cl)cc3n2)C1 ZINC000878665398 1125170589 /nfs/dbraw/zinc/17/05/89/1125170589.db2.gz HMAJNEPRTJQXND-CQSZACIVSA-N 0 1 292.835 3.826 20 0 CHADMN Cc1conc1CN1CCC2(CC1)c1ccccc1N=C2C ZINC000878797528 1125179304 /nfs/dbraw/zinc/17/93/04/1125179304.db2.gz LDHZHNIEWAVKLX-UHFFFAOYSA-N 0 1 295.386 3.623 20 0 CHADMN CN(CCC(C)(C)C)Cc1nc2c(s1)CCCC2 ZINC000530865825 1125184379 /nfs/dbraw/zinc/18/43/79/1125184379.db2.gz MNRDWWBTYRAFOM-UHFFFAOYSA-N 0 1 266.454 3.890 20 0 CHADMN CC[N@@H+](Cc1ccc(C)nc1)[C@H](C)c1cccc(OC)c1 ZINC000122326632 1125186632 /nfs/dbraw/zinc/18/66/32/1125186632.db2.gz ITQZFZFCCHRKHL-OAHLLOKOSA-N 0 1 284.403 3.982 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H]2c2cccc(C)c2C)no1 ZINC000122311010 1125186767 /nfs/dbraw/zinc/18/67/67/1125186767.db2.gz NSFMMAGTVLMNTB-QGZVFWFLSA-N 0 1 270.376 3.937 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2cccc(C)c2C)no1 ZINC000122311010 1125186771 /nfs/dbraw/zinc/18/67/71/1125186771.db2.gz NSFMMAGTVLMNTB-QGZVFWFLSA-N 0 1 270.376 3.937 20 0 CHADMN COC[C@H](NCc1ccc(C)cc1C)c1ccc(F)cc1 ZINC000530968199 1125189541 /nfs/dbraw/zinc/18/95/41/1125189541.db2.gz QAPBTSQQXQJLDE-SFHVURJKSA-N 0 1 287.378 3.920 20 0 CHADMN C(c1nc2c(o1)CCCC2)N1CCC[C@H](C2CCC2)C1 ZINC000878994268 1125189997 /nfs/dbraw/zinc/18/99/97/1125189997.db2.gz PUTJEMRVKITALI-AWEZNQCLSA-N 0 1 274.408 3.566 20 0 CHADMN CSCCNC(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879157638 1125199910 /nfs/dbraw/zinc/19/99/10/1125199910.db2.gz LHOLGDCXAOIABK-UHFFFAOYSA-N 0 1 284.812 3.669 20 0 CHADMN Cc1ccc(-c2ccc(CCN3CCOCC3)cc2)cc1 ZINC001239480251 1131338436 /nfs/dbraw/zinc/33/84/36/1131338436.db2.gz BULRXPYXDSROKY-UHFFFAOYSA-N 0 1 281.399 3.537 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1csc(-c2ccoc2)n1 ZINC000122947482 1125214198 /nfs/dbraw/zinc/21/41/98/1125214198.db2.gz RRAYUBZYTZTPFH-QWRGUYRKSA-N 0 1 262.378 3.776 20 0 CHADMN COc1ccc2oc(CNCc3cccs3)cc2c1 ZINC000122949531 1125215003 /nfs/dbraw/zinc/21/50/03/1125215003.db2.gz GUYOHHNEHVNZML-UHFFFAOYSA-N 0 1 273.357 3.793 20 0 CHADMN CC(C)(C)OC(=O)[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC000531402688 1125216690 /nfs/dbraw/zinc/21/66/90/1125216690.db2.gz DTPZBVJEALHDQJ-ZDUSSCGKSA-N 0 1 295.810 3.504 20 0 CHADMN COc1ccc([C@H](NCc2ccco2)C2CC2)cc1 ZINC000035047705 1125216709 /nfs/dbraw/zinc/21/67/09/1125216709.db2.gz YAXBWYCCVHRIEX-MRXNPFEDSA-N 0 1 257.333 3.529 20 0 CHADMN F[C@]1(c2ccccc2)CCCN(CCc2cncs2)C1 ZINC000879478116 1125216794 /nfs/dbraw/zinc/21/67/94/1125216794.db2.gz MZXLKLSUDYXULP-MRXNPFEDSA-N 0 1 290.407 3.646 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1csc(-c2ccccn2)n1 ZINC000123078500 1125222296 /nfs/dbraw/zinc/22/22/96/1125222296.db2.gz OEDNNTYBYPKQIQ-TXEJJXNPSA-N 0 1 273.405 3.578 20 0 CHADMN CC1(C)[C@H](c2ccccc2F)CCN1Cc1ccon1 ZINC000879638647 1125222502 /nfs/dbraw/zinc/22/25/02/1125222502.db2.gz ABMCENHWMAKRLR-AWEZNQCLSA-N 0 1 274.339 3.582 20 0 CHADMN CCC1(CO)CCN([C@@H](C)c2c(F)cccc2F)CC1 ZINC000305743090 1125222697 /nfs/dbraw/zinc/22/26/97/1125222697.db2.gz OGBHKYGHPCICHZ-LBPRGKRZSA-N 0 1 283.362 3.510 20 0 CHADMN FC[C@@H](NC[C@@H]1CCC2(CCC2)O1)c1ccc(F)cc1 ZINC000879662058 1125223731 /nfs/dbraw/zinc/22/37/31/1125223731.db2.gz PKPSAAIOTSLRGE-LSDHHAIUSA-N 0 1 281.346 3.528 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cccc(CO)c1)c1c(C)noc1C ZINC000305783507 1125224844 /nfs/dbraw/zinc/22/48/44/1125224844.db2.gz QJGIWHRCRIUCMJ-MEDUHNTESA-N 0 1 288.391 3.586 20 0 CHADMN CCCc1nc(CNC2([C@@H]3CCCCO3)CCC2)cs1 ZINC000879732275 1125228468 /nfs/dbraw/zinc/22/84/68/1125228468.db2.gz WTAKURURXZYCRD-AWEZNQCLSA-N 0 1 294.464 3.677 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1coc2ccccc12 ZINC000925248811 1125229313 /nfs/dbraw/zinc/22/93/13/1125229313.db2.gz SYNNGLKRPGHBGW-WILYLXEWSA-N 0 1 293.366 3.742 20 0 CHADMN C[C@@]1(C2CCCCC2)CCN1Cc1cnc(Cl)cn1 ZINC000879790030 1125234766 /nfs/dbraw/zinc/23/47/66/1125234766.db2.gz KNPVXOQJAWGQRF-HNNXBMFYSA-N 0 1 279.815 3.675 20 0 CHADMN Cc1cccc([C@@H](C)N2CCO[C@@H](C(F)(F)F)CC2)c1 ZINC000880047674 1125248765 /nfs/dbraw/zinc/24/87/65/1125248765.db2.gz WIJMCDUQLUVQPP-TZMCWYRMSA-N 0 1 287.325 3.709 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2NCc1ccc2c(c1)OCCCO2 ZINC000193702604 1125251815 /nfs/dbraw/zinc/25/18/15/1125251815.db2.gz RINITIJAFLDAEP-HNNXBMFYSA-N 0 1 299.370 3.608 20 0 CHADMN FC[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000880234641 1125258075 /nfs/dbraw/zinc/25/80/75/1125258075.db2.gz KKGGVKDVKQKIRX-GFCCVEGCSA-N 0 1 292.329 3.662 20 0 CHADMN FC[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000880233395 1125259015 /nfs/dbraw/zinc/25/90/15/1125259015.db2.gz CCELHGIWVQZZCN-GFCCVEGCSA-N 0 1 292.329 3.662 20 0 CHADMN FC[C@H]1CCCN(Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000880233395 1125259019 /nfs/dbraw/zinc/25/90/19/1125259019.db2.gz CCELHGIWVQZZCN-GFCCVEGCSA-N 0 1 292.329 3.662 20 0 CHADMN CC(C)N1CCC[C@@H](Oc2ccnc(Cl)c2Cl)C1 ZINC001228580475 1125265146 /nfs/dbraw/zinc/26/51/46/1125265146.db2.gz XRRIHVCUTUWFDC-SNVBAGLBSA-N 0 1 289.206 3.640 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1)n1c2ccccc2nc1CN ZINC001168148719 1125265329 /nfs/dbraw/zinc/26/53/29/1125265329.db2.gz HSRXFGADEQWZBK-LBPRGKRZSA-N 0 1 299.805 3.952 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cc(C)cs1)CC2 ZINC001137152156 1125267496 /nfs/dbraw/zinc/26/74/96/1125267496.db2.gz JKZXCIRVBRWPRZ-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN c1ncc(CN2CCCSC[C@@H]2c2ccccc2)s1 ZINC000880387473 1125270922 /nfs/dbraw/zinc/27/09/22/1125270922.db2.gz AHPALECEWBPROB-OAHLLOKOSA-N 0 1 290.457 3.823 20 0 CHADMN CCc1noc(C)c1CN1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880538903 1125278646 /nfs/dbraw/zinc/27/86/46/1125278646.db2.gz OURRESAITWZCRI-UGSOOPFHSA-N 0 1 282.387 3.980 20 0 CHADMN CCc1cccc(Cl)c1CN1CCCO[C@@H](C)C1 ZINC000475724435 1125280726 /nfs/dbraw/zinc/28/07/26/1125280726.db2.gz SSXBNIYGBRUFLE-LBPRGKRZSA-N 0 1 267.800 3.513 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000475733756 1125282632 /nfs/dbraw/zinc/28/26/32/1125282632.db2.gz VGBFSEXDUIKWQC-JHJVBQTASA-N 0 1 293.382 3.559 20 0 CHADMN C[C@H](NC1(c2ccc(F)cc2)CCCC1)c1ccn(C)n1 ZINC000666117878 1125290746 /nfs/dbraw/zinc/29/07/46/1125290746.db2.gz UFJUJDXERDWZLG-ZDUSSCGKSA-N 0 1 287.382 3.679 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)Nc2cccc(F)c2)o1 ZINC000055528503 1125292839 /nfs/dbraw/zinc/29/28/39/1125292839.db2.gz CHWCTMCGOMQXBU-UHFFFAOYSA-N 0 1 290.338 3.513 20 0 CHADMN CCC1(C)CCN(C(=O)c2ccc(Cl)c(O)c2)CC1 ZINC001136499897 1131345770 /nfs/dbraw/zinc/34/57/70/1131345770.db2.gz TZGWXDIEJHMIFU-UHFFFAOYSA-N 0 1 281.783 3.698 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)c1cccc(F)c1O ZINC001124383962 1131346038 /nfs/dbraw/zinc/34/60/38/1131346038.db2.gz OGAHNRKAMYOBPP-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN C[C@@H]1CC[C@@H](CSc2nnc(CCC3CCCC3)[nH]2)O1 ZINC000191059635 1125322486 /nfs/dbraw/zinc/32/24/86/1125322486.db2.gz SMHMRFSZPRGKMB-YPMHNXCESA-N 0 1 295.452 3.587 20 0 CHADMN C[C@@H]1CC[C@@H](CSc2nc(CCC3CCCC3)n[nH]2)O1 ZINC000191059635 1125322490 /nfs/dbraw/zinc/32/24/90/1125322490.db2.gz SMHMRFSZPRGKMB-YPMHNXCESA-N 0 1 295.452 3.587 20 0 CHADMN Cc1nc([C@@H](C)NCC(C)(C)OCC2CC2)c(C)s1 ZINC000666214275 1125324075 /nfs/dbraw/zinc/32/40/75/1125324075.db2.gz SYWSFVIQBRCZSC-SNVBAGLBSA-N 0 1 282.453 3.616 20 0 CHADMN CCN(Cc1ccc(OCC2CC2)cc1)Cc1ccccn1 ZINC000191352735 1125324173 /nfs/dbraw/zinc/32/41/73/1125324173.db2.gz DJEQVXNOPQOMIM-UHFFFAOYSA-N 0 1 296.414 3.893 20 0 CHADMN CCc1ccc(CN[C@H]2CCCc3c(O)cccc32)o1 ZINC000191654362 1125326147 /nfs/dbraw/zinc/32/61/47/1125326147.db2.gz SYXCSCQTQBEHED-INIZCTEOSA-N 0 1 271.360 3.715 20 0 CHADMN Cc1ncc(C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)s1 ZINC000191660609 1125326347 /nfs/dbraw/zinc/32/63/47/1125326347.db2.gz WVMNOANHGRPUME-NSHDSACASA-N 0 1 292.370 3.862 20 0 CHADMN Cc1ncc(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)s1 ZINC000191660609 1125326351 /nfs/dbraw/zinc/32/63/51/1125326351.db2.gz WVMNOANHGRPUME-NSHDSACASA-N 0 1 292.370 3.862 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1ncccn1 ZINC000192053650 1125330091 /nfs/dbraw/zinc/33/00/91/1125330091.db2.gz FPOVVXAWVONEGD-STQMWFEESA-N 0 1 289.810 3.754 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1ncccn1 ZINC000192053650 1125330094 /nfs/dbraw/zinc/33/00/94/1125330094.db2.gz FPOVVXAWVONEGD-STQMWFEESA-N 0 1 289.810 3.754 20 0 CHADMN C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)Cc1ncccn1 ZINC000192053634 1125330512 /nfs/dbraw/zinc/33/05/12/1125330512.db2.gz FPOVVXAWVONEGD-CHWSQXEVSA-N 0 1 289.810 3.754 20 0 CHADMN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)Cc1ncccn1 ZINC000192053634 1125330514 /nfs/dbraw/zinc/33/05/14/1125330514.db2.gz FPOVVXAWVONEGD-CHWSQXEVSA-N 0 1 289.810 3.754 20 0 CHADMN c1[nH]c2ccccc2c1C1=CCN(Cc2cccnc2)CC1 ZINC000192602659 1125335335 /nfs/dbraw/zinc/33/53/35/1125335335.db2.gz OEGOFKVVSZYUPS-UHFFFAOYSA-N 0 1 289.382 3.852 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)C1CCCCC1 ZINC000170186301 1125340652 /nfs/dbraw/zinc/34/06/52/1125340652.db2.gz XYHQTQBPQSLCLT-UHFFFAOYSA-N 0 1 271.719 3.704 20 0 CHADMN COc1ccc([C@@H](NCc2nc(C(C)C)c[nH]2)C2CC2)cc1 ZINC000882881434 1125359615 /nfs/dbraw/zinc/35/96/15/1125359615.db2.gz NCDZVHXNJXQJBP-SFHVURJKSA-N 0 1 299.418 3.783 20 0 CHADMN C[C@@H](N[C@H]1CCc2c1c(F)ccc2F)c1ccc[nH]1 ZINC000760250146 1125359759 /nfs/dbraw/zinc/35/97/59/1125359759.db2.gz QOFRWPJKNNBDAO-OTYXRUKQSA-N 0 1 262.303 3.631 20 0 CHADMN Cc1ccc(SCCNCc2nc(C(C)C)c[nH]2)cc1 ZINC000882880873 1125360125 /nfs/dbraw/zinc/36/01/25/1125360125.db2.gz MPAMULKSHNRQAJ-UHFFFAOYSA-N 0 1 289.448 3.723 20 0 CHADMN CCCCCc1cc(C(=O)N2CC[C@@H]2c2ccccc2)n[nH]1 ZINC000666400323 1125361181 /nfs/dbraw/zinc/36/11/81/1125361181.db2.gz HUNGAPVXCYGXHT-QGZVFWFLSA-N 0 1 297.402 3.730 20 0 CHADMN COCc1c(C)cc(C)c(CNCc2cccc(C)n2)c1C ZINC000882905540 1125361190 /nfs/dbraw/zinc/36/11/90/1125361190.db2.gz JMAIBDXUIZKFMT-UHFFFAOYSA-N 0 1 298.430 3.751 20 0 CHADMN Cc1cc(C[N@@H+](Cc2ccccc2)C(C)C)oc1C(=O)[O-] ZINC000036812769 1125362360 /nfs/dbraw/zinc/36/23/60/1125362360.db2.gz NQUAFJGKWSGBCX-UHFFFAOYSA-N 0 1 287.359 3.697 20 0 CHADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000263518882 1125367860 /nfs/dbraw/zinc/36/78/60/1125367860.db2.gz PYBPZYQJLCKTHQ-VXGBXAGGSA-N 0 1 295.448 3.731 20 0 CHADMN Cc1noc(C)c1CN(C)[C@@H]1CCCc2ccc(F)cc21 ZINC000130735984 1125368115 /nfs/dbraw/zinc/36/81/15/1125368115.db2.gz AOIHQMHIJBWAQK-QGZVFWFLSA-N 0 1 288.366 3.940 20 0 CHADMN CC(C)c1c[nH]c(CNC[C@H](C)Sc2ccccc2)n1 ZINC000883020296 1125368391 /nfs/dbraw/zinc/36/83/91/1125368391.db2.gz XUJJQRUVIMOJSC-ZDUSSCGKSA-N 0 1 289.448 3.804 20 0 CHADMN C[C@@H](NCc1c(F)cccc1Cl)[C@@H]1CC1(F)F ZINC000666445718 1125370207 /nfs/dbraw/zinc/37/02/07/1125370207.db2.gz XJICMUSYBFEFJH-APPZFPTMSA-N 0 1 263.690 3.612 20 0 CHADMN CC(C)c1c[nH]c(CN[C@@H](CC(F)(F)F)C(C)C)n1 ZINC000883099350 1125371616 /nfs/dbraw/zinc/37/16/16/1125371616.db2.gz RVDPJIUQKAJLTB-JTQLQIEISA-N 0 1 277.334 3.600 20 0 CHADMN C[C@H](NCc1cccc(Br)n1)c1ccccc1 ZINC000130987934 1125372318 /nfs/dbraw/zinc/37/23/18/1125372318.db2.gz DAWOJNATDHLNSH-NSHDSACASA-N 0 1 291.192 3.695 20 0 CHADMN C/C=C\C[C@H]1CCCN(Cc2nc(-c3ccco3)no2)C1 ZINC000626160182 1125376001 /nfs/dbraw/zinc/37/60/01/1125376001.db2.gz CAXWOESVBCWEOK-ZRMMWKCHSA-N 0 1 287.363 3.508 20 0 CHADMN C/C=C\C[C@@H]1CCCN([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000626161596 1125377048 /nfs/dbraw/zinc/37/70/48/1125377048.db2.gz GCMWMUWJLVOPTQ-RSNNXLNZSA-N 0 1 275.396 3.686 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N1CCC(C)(F)CC1 ZINC000640071881 1125377275 /nfs/dbraw/zinc/37/72/75/1125377275.db2.gz TYRNHHNSRAXIAP-LLVKDONJSA-N 0 1 262.328 3.713 20 0 CHADMN Clc1ccc2nc(NCc3cnc(C4CC4)o3)[nH]c2c1 ZINC000883204094 1125377337 /nfs/dbraw/zinc/37/73/37/1125377337.db2.gz SCRDZYRAOMOHLA-UHFFFAOYSA-N 0 1 288.738 3.694 20 0 CHADMN Fc1ncccc1CN[C@@H](c1ccccc1)C1CCC1 ZINC000883221252 1125379838 /nfs/dbraw/zinc/37/98/38/1125379838.db2.gz XECCJFYRJSLKOV-INIZCTEOSA-N 0 1 270.351 3.852 20 0 CHADMN CCSc1ccc(CN[C@H](C)c2nccnc2C)cc1 ZINC000883246015 1125383347 /nfs/dbraw/zinc/38/33/47/1125383347.db2.gz XWCVCMDAIYYRDK-CYBMUJFWSA-N 0 1 287.432 3.748 20 0 CHADMN CC(C)Oc1cc(Cl)ccc1CNCc1cccnc1 ZINC000883259257 1125386805 /nfs/dbraw/zinc/38/68/05/1125386805.db2.gz HTCMDGJHDHCNNM-UHFFFAOYSA-N 0 1 290.794 3.812 20 0 CHADMN CC[C@H](NCc1cc(C2CC2)ccc1OC)c1cnn(C)c1 ZINC000883265649 1125388604 /nfs/dbraw/zinc/38/86/04/1125388604.db2.gz HGPJNEWLYJKCBX-KRWDZBQOSA-N 0 1 299.418 3.547 20 0 CHADMN CCc1ccc(CN[C@@H]2COCc3ccccc32)s1 ZINC000225159580 1125389332 /nfs/dbraw/zinc/38/93/32/1125389332.db2.gz NTAVSYBGNRXVOE-MRXNPFEDSA-N 0 1 273.401 3.672 20 0 CHADMN Cc1cc(C)cc(CNCc2ccc(C)nc2Cl)c1 ZINC000883291475 1125391443 /nfs/dbraw/zinc/39/14/43/1125391443.db2.gz GNCHCLLMILAESV-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN CC(C)=CCC[C@@H](C)NC1(c2ncccn2)CCC1 ZINC000883313357 1125393729 /nfs/dbraw/zinc/39/37/29/1125393729.db2.gz BMSSBZGAZILQNU-CQSZACIVSA-N 0 1 259.397 3.580 20 0 CHADMN c1ccc([C@@H]2CC[C@@H](NC3(c4ncccn4)CCC3)C2)cc1 ZINC000883312281 1125393771 /nfs/dbraw/zinc/39/37/71/1125393771.db2.gz YWFWMPPXFRWZFC-IAGOWNOFSA-N 0 1 293.414 3.782 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H](C)[C@H](C)C2)c1F ZINC001168201667 1125394255 /nfs/dbraw/zinc/39/42/55/1125394255.db2.gz LHBQRMACJCDDJE-ZYHUDNBSSA-N 0 1 253.336 3.751 20 0 CHADMN CC(C)(C)c1nc(CN2CCCCC[C@H]2CCO)cs1 ZINC000342042536 1125395191 /nfs/dbraw/zinc/39/51/91/1125395191.db2.gz CYLJEVCTMDAOSU-AWEZNQCLSA-N 0 1 296.480 3.568 20 0 CHADMN Cc1ccc2nc(CN[C@@H](C)c3cccs3)cn2c1 ZINC000171111458 1125403906 /nfs/dbraw/zinc/40/39/06/1125403906.db2.gz OFBHZLLJLJUYKZ-LBPRGKRZSA-N 0 1 271.389 3.555 20 0 CHADMN F[C@H]1CCc2ccccc2[C@H]1NCc1ccc2nc[nH]c2c1 ZINC000883382176 1125406944 /nfs/dbraw/zinc/40/69/44/1125406944.db2.gz ASTIUFOQSNISLC-MAUKXSAKSA-N 0 1 295.361 3.678 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CC[C@H]1CCCC1(F)F ZINC000883407844 1125409435 /nfs/dbraw/zinc/40/94/35/1125409435.db2.gz GSHKWSUOZWRIGV-OLZOCXBDSA-N 0 1 289.366 3.531 20 0 CHADMN Cc1ccccc1[C@@H](CO)N[C@@H](C)c1cccc(F)c1 ZINC000532550486 1125411051 /nfs/dbraw/zinc/41/10/51/1125411051.db2.gz MWFIJOBBTSAHLE-SUMWQHHRSA-N 0 1 273.351 3.518 20 0 CHADMN CC1(C)Nc2ccccc2[C@H]1NCc1cccc(Cl)n1 ZINC000883463790 1125411399 /nfs/dbraw/zinc/41/13/99/1125411399.db2.gz YLJJUJMSFVSRFR-OAHLLOKOSA-N 0 1 287.794 3.770 20 0 CHADMN Fc1cccc(F)c1C1(NC[C@H]2CCCCO2)CCC1 ZINC000626177570 1125419804 /nfs/dbraw/zinc/41/98/04/1125419804.db2.gz QWQWWAVXQHJMBX-GFCCVEGCSA-N 0 1 281.346 3.503 20 0 CHADMN CCc1nocc1CN1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000508663728 1125420356 /nfs/dbraw/zinc/42/03/56/1125420356.db2.gz HQFQOFBSMRIQEU-PXAZEXFGSA-N 0 1 288.366 3.959 20 0 CHADMN Cc1nnc(CN2CCCCC[C@@H]2c2cccc(C)c2)n1C ZINC000117897820 1125424808 /nfs/dbraw/zinc/42/48/08/1125424808.db2.gz PVAAIVRTVUUXEG-QGZVFWFLSA-N 0 1 298.434 3.549 20 0 CHADMN C[C@@H]1CCCN(Cc2ncc(-c3cccs3)o2)C1 ZINC000041646323 1125434517 /nfs/dbraw/zinc/43/45/17/1125434517.db2.gz BUOJLZQNEGEPOZ-LLVKDONJSA-N 0 1 262.378 3.635 20 0 CHADMN C[C@H]1CCCN1Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000124328365 1125437976 /nfs/dbraw/zinc/43/79/76/1125437976.db2.gz XGDBBZJFXBROJO-JTQLQIEISA-N 0 1 297.324 3.576 20 0 CHADMN Cc1ccc(CNCc2cccc(Br)c2)o1 ZINC000042418752 1125442141 /nfs/dbraw/zinc/44/21/41/1125442141.db2.gz RDIKJHHZLNQMDY-UHFFFAOYSA-N 0 1 280.165 3.640 20 0 CHADMN Cc1nc(C[N@H+](C)CC2CCC(C)CC2)cs1 ZINC000125061166 1125444253 /nfs/dbraw/zinc/44/42/53/1125444253.db2.gz ZLEJZRRENATGLV-UHFFFAOYSA-N 0 1 252.427 3.710 20 0 CHADMN Cc1nc(CN(C)CC2CCC(C)CC2)cs1 ZINC000125061166 1125444256 /nfs/dbraw/zinc/44/42/56/1125444256.db2.gz ZLEJZRRENATGLV-UHFFFAOYSA-N 0 1 252.427 3.710 20 0 CHADMN Clc1cccc(Cl)c1CNC[C@@H]1CCC=CO1 ZINC000379970847 1125444631 /nfs/dbraw/zinc/44/46/31/1125444631.db2.gz MGAFUSYAELQNFK-JTQLQIEISA-N 0 1 272.175 3.776 20 0 CHADMN Cn1c2ccc(Cl)cc2nc1CN1CCCCCC1 ZINC000043272858 1125446282 /nfs/dbraw/zinc/44/62/82/1125446282.db2.gz UMVHVCWUOMKEMA-UHFFFAOYSA-N 0 1 277.799 3.603 20 0 CHADMN CCC[C@@H](NCc1cc(C)no1)c1ccc(OC)cc1 ZINC000125517616 1125448772 /nfs/dbraw/zinc/44/87/72/1125448772.db2.gz MSTCYMXNOMEZDO-MRXNPFEDSA-N 0 1 274.364 3.623 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000171227749 1125452207 /nfs/dbraw/zinc/45/22/07/1125452207.db2.gz GJEKMAFOBKXSEP-UHFFFAOYSA-N 0 1 289.404 3.861 20 0 CHADMN CCCCN(C)Cc1csc(-c2ccoc2)n1 ZINC000108355796 1125452694 /nfs/dbraw/zinc/45/26/94/1125452694.db2.gz PXHSKDFBJJFFPV-UHFFFAOYSA-N 0 1 250.367 3.635 20 0 CHADMN C[C@@H]1CCCN(Cc2csc(-c3ccoc3)n2)C1 ZINC000108355682 1125452921 /nfs/dbraw/zinc/45/29/21/1125452921.db2.gz HYVMRPKZSIEVBQ-LLVKDONJSA-N 0 1 262.378 3.635 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2cccc(F)c2F)CC1 ZINC000108395393 1125454458 /nfs/dbraw/zinc/45/44/58/1125454458.db2.gz PZBRDTNUMHWSGY-CQSZACIVSA-N 0 1 283.362 3.746 20 0 CHADMN CCc1ccc(CN[C@H]2CCCc3nc(C)sc32)o1 ZINC000779989531 1129180913 /nfs/dbraw/zinc/18/09/13/1129180913.db2.gz ZVSFMEQQFKBDCF-ZDUSSCGKSA-N 0 1 276.405 3.774 20 0 CHADMN CCOc1cncc(CN(C)[C@H]2CCc3ccccc32)c1 ZINC000621710440 1129182753 /nfs/dbraw/zinc/18/27/53/1129182753.db2.gz BAIQAIMSPSGPKB-SFHVURJKSA-N 0 1 282.387 3.600 20 0 CHADMN Cc1nccnc1CN1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000621718724 1129185205 /nfs/dbraw/zinc/18/52/05/1129185205.db2.gz RHZDRWKTPIULDP-PXAZEXFGSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1ccc([C@@H]2CCCCCN2Cc2nccnc2C)o1 ZINC000621717445 1129185366 /nfs/dbraw/zinc/18/53/66/1129185366.db2.gz DUELBOMJCXFOLE-INIZCTEOSA-N 0 1 285.391 3.804 20 0 CHADMN C[C@@H](c1ccco1)c1noc([C@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000621795205 1129196275 /nfs/dbraw/zinc/19/62/75/1129196275.db2.gz DESPBEOTMLLNTF-RNJOBUHISA-N 0 1 289.379 3.748 20 0 CHADMN CCCC[C@H](C(=O)N1CCC(c2cnc[nH]2)CC1)C(C)C ZINC000621904148 1129205268 /nfs/dbraw/zinc/20/52/68/1129205268.db2.gz CVFZNXZBKDIWFO-HNNXBMFYSA-N 0 1 291.439 3.578 20 0 CHADMN CCCC[C@@H](C(=O)N1CCC(c2cnc[nH]2)CC1)C(C)C ZINC000621904149 1129205757 /nfs/dbraw/zinc/20/57/57/1129205757.db2.gz CVFZNXZBKDIWFO-OAHLLOKOSA-N 0 1 291.439 3.578 20 0 CHADMN C[C@H](NCc1ccoc1)c1cccc(N2CCCC2)c1 ZINC000088764369 1129209493 /nfs/dbraw/zinc/20/94/93/1129209493.db2.gz TVQHWJPWIJROOP-AWEZNQCLSA-N 0 1 270.376 3.731 20 0 CHADMN C[C@@H]1C[C@H](NCc2cccc3ccccc32)c2nccn21 ZINC000294076373 1129213280 /nfs/dbraw/zinc/21/32/80/1129213280.db2.gz LEHUAFODDOUONN-DYVFJYSZSA-N 0 1 277.371 3.832 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnc(C)s2)cs1 ZINC000294101052 1129213525 /nfs/dbraw/zinc/21/35/25/1129213525.db2.gz BZLUECXHMNXWJK-SECBINFHSA-N 0 1 252.408 3.672 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccc3c2OCO3)cs1 ZINC000294234493 1129214198 /nfs/dbraw/zinc/21/41/98/1129214198.db2.gz OMPMIANXAHHYKZ-LLVKDONJSA-N 0 1 275.373 3.636 20 0 CHADMN COCc1ccccc1CNCc1cccc(C)c1F ZINC000294831313 1129216770 /nfs/dbraw/zinc/21/67/70/1129216770.db2.gz SGUKJEFHVGDPBB-UHFFFAOYSA-N 0 1 273.351 3.570 20 0 CHADMN CO[C@H]1CC=C(Nc2ccncc2Oc2ccccc2)CC1 ZINC001212872179 1129221068 /nfs/dbraw/zinc/22/10/68/1129221068.db2.gz PDRQCXVPZHVREP-HNNXBMFYSA-N 0 1 296.370 3.791 20 0 CHADMN C[C@H]1c2ccsc2CCN1Cc1ccc2nccnc2c1 ZINC000637876809 1129233510 /nfs/dbraw/zinc/23/35/10/1129233510.db2.gz UTKPUQSQMIPPEN-LBPRGKRZSA-N 0 1 295.411 3.811 20 0 CHADMN c1cc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)sn1 ZINC000637957156 1129237707 /nfs/dbraw/zinc/23/77/07/1129237707.db2.gz DAGNAHZMTOMVBL-INIZCTEOSA-N 0 1 270.401 3.795 20 0 CHADMN c1cc(CN(C2CC2)[C@H]2CCc3ccccc32)sn1 ZINC000637957156 1129237711 /nfs/dbraw/zinc/23/77/11/1129237711.db2.gz DAGNAHZMTOMVBL-INIZCTEOSA-N 0 1 270.401 3.795 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)N1CCN(C2CC2)CC1 ZINC000622260856 1129239667 /nfs/dbraw/zinc/23/96/67/1129239667.db2.gz GRONWCARCGMOEM-INIZCTEOSA-N 0 1 278.827 3.571 20 0 CHADMN Cc1ccc([C@H]2CCCN2[C@@H](C)c2cnc(C)nc2C)o1 ZINC000638086647 1129242753 /nfs/dbraw/zinc/24/27/53/1129242753.db2.gz HVYLKGSDHMFWTF-XJKSGUPXSA-N 0 1 285.391 3.893 20 0 CHADMN C[C@@H](NCc1coc(-c2cccs2)n1)[C@@H]1CC1(F)F ZINC000638433095 1129258475 /nfs/dbraw/zinc/25/84/75/1129258475.db2.gz WEACELJQODYXLS-SCZZXKLOSA-N 0 1 284.331 3.536 20 0 CHADMN CC[C@@H](C)[C@H](CNCc1coc(-c2cccs2)n1)OC ZINC000638431688 1129259021 /nfs/dbraw/zinc/25/90/21/1129259021.db2.gz LMQOPRBFDDOZKW-YPMHNXCESA-N 0 1 294.420 3.554 20 0 CHADMN C[C@H](C(=O)Nc1cc(F)cc(Cl)c1)N1CCCCCC1 ZINC000622444365 1129260672 /nfs/dbraw/zinc/26/06/72/1129260672.db2.gz FVWRDVSBPMOWNF-LLVKDONJSA-N 0 1 298.789 3.682 20 0 CHADMN Cc1cnc(CNCC(C)(C)c2ccccc2Cl)o1 ZINC000638505137 1129260780 /nfs/dbraw/zinc/26/07/80/1129260780.db2.gz JEDNXAWRUGUCQZ-UHFFFAOYSA-N 0 1 278.783 3.704 20 0 CHADMN Cn1ccnc1[C@H](N[C@@]1(C)CCCc2ccccc21)C1CC1 ZINC000638603313 1129263162 /nfs/dbraw/zinc/26/31/62/1129263162.db2.gz CMMWKSQBENVXCS-MJGOQNOKSA-N 0 1 295.430 3.713 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cc2ccccc2n1C ZINC000638638976 1129264047 /nfs/dbraw/zinc/26/40/47/1129264047.db2.gz MFSNQYPHKHSAHQ-LLVKDONJSA-N 0 1 283.375 3.634 20 0 CHADMN CCOC(CN1CCC[C@H]1c1ccccc1Cl)OCC ZINC000184950639 1129266527 /nfs/dbraw/zinc/26/65/27/1129266527.db2.gz VHXPEIDLUFXCSU-HNNXBMFYSA-N 0 1 297.826 3.876 20 0 CHADMN Cc1nc2ccccn2c1CN[C@H](C)c1ccccc1F ZINC000037764301 1129266724 /nfs/dbraw/zinc/26/67/24/1129266724.db2.gz FQYAVMROOYATOO-GFCCVEGCSA-N 0 1 283.350 3.633 20 0 CHADMN Cc1cscc1N[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000638782263 1129270667 /nfs/dbraw/zinc/27/06/67/1129270667.db2.gz QWRBPFSKMZDIHZ-CYBMUJFWSA-N 0 1 276.409 3.908 20 0 CHADMN C[C@@H]1CN(CCc2cccs2)C[C@@H](c2ccsc2)O1 ZINC000246352505 1129271723 /nfs/dbraw/zinc/27/17/23/1129271723.db2.gz FRUOSDQEWUZCLH-DOMZBBRYSA-N 0 1 293.457 3.814 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC[C@H](Cc3ccccc3)C2)o1 ZINC000348029318 1129275504 /nfs/dbraw/zinc/27/55/04/1129275504.db2.gz VZODKOVQUBAZEE-GDBMZVCRSA-N 0 1 299.418 3.648 20 0 CHADMN Cc1nc(CN2C[C@@H]3CCCC[C@@]32C)sc1C ZINC000626103659 1129280963 /nfs/dbraw/zinc/28/09/63/1129280963.db2.gz KMDYFTFKAAFSEW-JSGCOSHPSA-N 0 1 250.411 3.524 20 0 CHADMN CCO[C@H](CNCc1nc2ccccc2o1)c1ccccc1 ZINC000639109230 1129282663 /nfs/dbraw/zinc/28/26/63/1129282663.db2.gz STTAEMYYRKTFJY-QGZVFWFLSA-N 0 1 296.370 3.695 20 0 CHADMN COCCCC[C@H](NCc1ccns1)c1ccccc1 ZINC000639120285 1129283823 /nfs/dbraw/zinc/28/38/23/1129283823.db2.gz HDDZVXRENXGBLY-INIZCTEOSA-N 0 1 290.432 3.791 20 0 CHADMN CSc1ccccc1CN(C)Cc1cccc(F)c1N ZINC000639121551 1129283951 /nfs/dbraw/zinc/28/39/51/1129283951.db2.gz RNOLPXWMRKTQBC-UHFFFAOYSA-N 0 1 290.407 3.762 20 0 CHADMN CC[C@@H](NCc1cccc2c1OCO2)c1ccccc1OC ZINC000378891202 1129284208 /nfs/dbraw/zinc/28/42/08/1129284208.db2.gz SCPYQDKCELVHLX-OAHLLOKOSA-N 0 1 299.370 3.665 20 0 CHADMN C[C@H](C(=O)OCc1ccccc1Cl)N1CCCCCC1 ZINC000733908404 1129284938 /nfs/dbraw/zinc/28/49/38/1129284938.db2.gz CBQZZAOIHFIBPV-CYBMUJFWSA-N 0 1 295.810 3.648 20 0 CHADMN CCOC1CC(CNc2ccc(Cl)c(CN(C)C)c2)C1 ZINC000639134838 1129285949 /nfs/dbraw/zinc/28/59/49/1129285949.db2.gz QADNHWIBIXMMBK-UHFFFAOYSA-N 0 1 296.842 3.629 20 0 CHADMN COc1ncc(CNCc2ccc(C(C)(F)F)cc2)s1 ZINC000639207201 1129293045 /nfs/dbraw/zinc/29/30/45/1129293045.db2.gz MVFABWPPEQLQHD-UHFFFAOYSA-N 0 1 298.358 3.553 20 0 CHADMN COc1cc(CNCc2ccc(C(C)(F)F)cc2)sn1 ZINC000639206802 1129293352 /nfs/dbraw/zinc/29/33/52/1129293352.db2.gz KNCRCIFLQYWIIV-UHFFFAOYSA-N 0 1 298.358 3.553 20 0 CHADMN COc1ncc(CN[C@@H](C)c2cccc(C3CC3)c2)s1 ZINC000639215450 1129294419 /nfs/dbraw/zinc/29/44/19/1129294419.db2.gz BDISMKKBUNOLRD-NSHDSACASA-N 0 1 288.416 3.880 20 0 CHADMN Fc1ccc(CN2CC(C(F)F)C2)c2ccccc12 ZINC000639252952 1129297191 /nfs/dbraw/zinc/29/71/91/1129297191.db2.gz WWDMOPNIXGLIDN-UHFFFAOYSA-N 0 1 265.278 3.676 20 0 CHADMN Cc1cccc(CC2CN([C@@H](C)c3cnc(C)nc3C)C2)c1 ZINC000639249049 1129297427 /nfs/dbraw/zinc/29/74/27/1129297427.db2.gz CAGJSNDWKJBZCD-HNNXBMFYSA-N 0 1 295.430 3.637 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1ccc(C(F)F)nc1)CC2 ZINC000639307225 1129301699 /nfs/dbraw/zinc/30/16/99/1129301699.db2.gz REZXBOGHZJXWHX-UHFFFAOYSA-N 0 1 288.341 3.886 20 0 CHADMN CC1(C)C[C@@]1(NCc1cccc(F)c1N)c1ccccc1 ZINC000639336553 1129303820 /nfs/dbraw/zinc/30/38/20/1129303820.db2.gz CWWULOIYAZUPOK-GOSISDBHSA-N 0 1 284.378 3.823 20 0 CHADMN COc1ncc(CN[C@]2(c3ccccc3)CC2(C)C)s1 ZINC000639339127 1129303949 /nfs/dbraw/zinc/30/39/49/1129303949.db2.gz YXEXXSZGLXUKQN-INIZCTEOSA-N 0 1 288.416 3.567 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(F)F)nc2)C[C@H](C)C1(F)F ZINC000639346773 1129304552 /nfs/dbraw/zinc/30/45/52/1129304552.db2.gz SFLIQFOBTDEBHZ-AOOOYVTPSA-N 0 1 290.304 3.742 20 0 CHADMN FC(F)(F)[C@@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 ZINC000639387779 1129309386 /nfs/dbraw/zinc/30/93/86/1129309386.db2.gz HNMUTENJBABWSH-GFCCVEGCSA-N 0 1 282.309 3.942 20 0 CHADMN COc1cc(CN2CCC(C)(F)CC2)ccc1SC ZINC000639388486 1129309504 /nfs/dbraw/zinc/30/95/04/1129309504.db2.gz DELVALINPOXTDT-UHFFFAOYSA-N 0 1 283.412 3.741 20 0 CHADMN COc1cccc(-c2nc(C[N@@H+]3[C@H](C)CC[C@@H]3C)co2)c1 ZINC000639516498 1129320291 /nfs/dbraw/zinc/32/02/91/1129320291.db2.gz TULLEYHVNDLZFQ-BETUJISGSA-N 0 1 286.375 3.723 20 0 CHADMN Cc1cc(C)c(CN(C)[C@@H](C)c2ccncc2)c(C)n1 ZINC000639551197 1129322747 /nfs/dbraw/zinc/32/27/47/1129322747.db2.gz JOBJXMJWCVLGFM-HNNXBMFYSA-N 0 1 269.392 3.595 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1c(C)cc(C)nc1C ZINC000639551789 1129323152 /nfs/dbraw/zinc/32/31/52/1129323152.db2.gz OQDBZZYTZLMCGQ-GOSISDBHSA-N 0 1 283.419 3.985 20 0 CHADMN Fc1ccc([C@H]2CC[N@H+]2Cc2cccc3c2CCOC3)cc1 ZINC000639802677 1129335266 /nfs/dbraw/zinc/33/52/66/1129335266.db2.gz ZARUQUSGLADXQA-LJQANCHMSA-N 0 1 297.373 3.845 20 0 CHADMN Fc1ccc([C@H]2CCN2Cc2cccc3c2CCOC3)cc1 ZINC000639802677 1129335269 /nfs/dbraw/zinc/33/52/69/1129335269.db2.gz ZARUQUSGLADXQA-LJQANCHMSA-N 0 1 297.373 3.845 20 0 CHADMN Fc1ccc([C@@H]2CC[N@H+]2Cc2cccc3c2CCOC3)cc1 ZINC000639802658 1129335342 /nfs/dbraw/zinc/33/53/42/1129335342.db2.gz ZARUQUSGLADXQA-IBGZPJMESA-N 0 1 297.373 3.845 20 0 CHADMN Fc1ccc([C@@H]2CCN2Cc2cccc3c2CCOC3)cc1 ZINC000639802658 1129335346 /nfs/dbraw/zinc/33/53/46/1129335346.db2.gz ZARUQUSGLADXQA-IBGZPJMESA-N 0 1 297.373 3.845 20 0 CHADMN c1ccc([C@H]2CCC[C@H]2NCc2nc(C3CCC3)no2)cc1 ZINC000639904042 1129338489 /nfs/dbraw/zinc/33/84/89/1129338489.db2.gz FKUBISWFTPNSIM-HZPDHXFCSA-N 0 1 297.402 3.763 20 0 CHADMN Cc1cccc(F)c1CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000766213322 1129346042 /nfs/dbraw/zinc/34/60/42/1129346042.db2.gz OFWPTFNFAZPXLI-LBPRGKRZSA-N 0 1 287.334 3.714 20 0 CHADMN O=C(/C=C\C1CCCCC1)Nc1ccc2nc[nH]c2c1 ZINC000735466865 1129347719 /nfs/dbraw/zinc/34/77/19/1129347719.db2.gz ONRWTPRJSAJILN-TWGQIWQCSA-N 0 1 269.348 3.638 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@H](C3CCC3)CC2)s1 ZINC000640106410 1129348901 /nfs/dbraw/zinc/34/89/01/1129348901.db2.gz POPRCZGKVIKYDK-FZMZJTMJSA-N 0 1 279.453 3.810 20 0 CHADMN CC(C)(C)OCCCN[C@@H](CF)c1ccc(F)cc1 ZINC000640153365 1129351188 /nfs/dbraw/zinc/35/11/88/1129351188.db2.gz ONGXYUZDUKBJAA-AWEZNQCLSA-N 0 1 271.351 3.631 20 0 CHADMN CC(C)c1nnc(CN2CC[C@@]2(C)C2CCCCC2)o1 ZINC000640219891 1129352004 /nfs/dbraw/zinc/35/20/04/1129352004.db2.gz OEHLRNVVSXBURQ-INIZCTEOSA-N 0 1 277.412 3.738 20 0 CHADMN Cc1nc2cccc(-c3cncc(C(F)(F)F)c3)c2[nH]1 ZINC001240792017 1129357026 /nfs/dbraw/zinc/35/70/26/1129357026.db2.gz OPUKVSCJSKUFIY-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN C[C@@H]1SCCN(C/C=C\Cl)[C@H]1c1ccccc1 ZINC000735744636 1129357045 /nfs/dbraw/zinc/35/70/45/1129357045.db2.gz UZUZIGKUPRHLGC-IOXUZPACSA-N 0 1 267.825 3.918 20 0 CHADMN CCc1n[nH]cc1-c1nc(-c2cccc3ccccc32)no1 ZINC001212885516 1129357614 /nfs/dbraw/zinc/35/76/14/1129357614.db2.gz LCUAQFYZIIHGNH-UHFFFAOYSA-N 0 1 290.326 3.842 20 0 CHADMN C[C@H](N[C@@H]1CCCc2cccnc21)c1cccc(O)c1 ZINC000091661003 1129367977 /nfs/dbraw/zinc/36/79/77/1129367977.db2.gz HVCJEVJKCQEARL-BLLLJJGKSA-N 0 1 268.360 3.515 20 0 CHADMN CC1(C)CCC(Cn2cc([C@H](N)c3ccccc3)nn2)CC1 ZINC000641147953 1129374919 /nfs/dbraw/zinc/37/49/19/1129374919.db2.gz QFRDNHSPOPIDKO-QGZVFWFLSA-N 0 1 298.434 3.543 20 0 CHADMN CN(C)c1cccnc1CN[C@H](c1ccccc1)C1CCC1 ZINC000641779913 1129391593 /nfs/dbraw/zinc/39/15/93/1129391593.db2.gz SZYSCWYTHWKFDJ-LJQANCHMSA-N 0 1 295.430 3.779 20 0 CHADMN OCC[C@@H](N[C@H](c1ccccc1)C1CCC1)c1ccco1 ZINC000641781558 1129392318 /nfs/dbraw/zinc/39/23/18/1129392318.db2.gz VINQVXCFTUVIGA-SJLPKXTDSA-N 0 1 285.387 3.834 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cn(C)c2ccccc12 ZINC001239535776 1131371454 /nfs/dbraw/zinc/37/14/54/1131371454.db2.gz QNUHSIJTBLVQBZ-UHFFFAOYSA-N 0 1 277.327 3.730 20 0 CHADMN Cc1nc(-c2ccccc2O)nc(C)c1CC(C)C ZINC001241009421 1129402132 /nfs/dbraw/zinc/40/21/32/1129402132.db2.gz ZPBUFEFVVZRCDT-UHFFFAOYSA-N 0 1 256.349 3.665 20 0 CHADMN Cc1ccc(CCNCc2c(F)cccc2Cl)o1 ZINC000642342609 1129415040 /nfs/dbraw/zinc/41/50/40/1129415040.db2.gz PYBRWTMVBQSYQQ-UHFFFAOYSA-N 0 1 267.731 3.713 20 0 CHADMN C[C@@H](Cc1cccs1)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000642516142 1129418624 /nfs/dbraw/zinc/41/86/24/1129418624.db2.gz ONRUDCQRESFVQO-QWRGUYRKSA-N 0 1 293.436 3.710 20 0 CHADMN C[C@H]1CCCC[C@@H]1OCCN(C)Cc1ccsc1 ZINC000642524825 1129419862 /nfs/dbraw/zinc/41/98/62/1129419862.db2.gz XMZHOPDFWZPPMN-ZFWWWQNUSA-N 0 1 267.438 3.775 20 0 CHADMN Cc1nc2c(s1)[C@H](N(C)Cc1ccoc1)CCC2 ZINC000093365160 1129422267 /nfs/dbraw/zinc/42/22/67/1129422267.db2.gz NJQQJEADWVDOTD-CYBMUJFWSA-N 0 1 262.378 3.554 20 0 CHADMN O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccoc2)n[nH]1 ZINC000642641111 1129422915 /nfs/dbraw/zinc/42/29/15/1129422915.db2.gz DDRLMZMKRNDHPY-UHFFFAOYSA-N 0 1 287.706 3.575 20 0 CHADMN CCc1nnc(CN(C)[C@H]2CCC[C@H]2C(C)(C)C)s1 ZINC000642718861 1129424604 /nfs/dbraw/zinc/42/46/04/1129424604.db2.gz ZKQAVFOMKXJHEC-NEPJUHHUSA-N 0 1 281.469 3.747 20 0 CHADMN CCc1nnc(CN(C)[C@H]2CCC[C@@H]2C(C)(C)C)s1 ZINC000642718863 1129424890 /nfs/dbraw/zinc/42/48/90/1129424890.db2.gz ZKQAVFOMKXJHEC-RYUDHWBXSA-N 0 1 281.469 3.747 20 0 CHADMN C[C@H](OC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)c1cccc(F)c1 ZINC000741020658 1129426399 /nfs/dbraw/zinc/42/63/99/1129426399.db2.gz LKPUMRXCWIHGTM-XUXIUFHCSA-N 0 1 293.382 3.691 20 0 CHADMN CC(C)[C@H](C(=O)OCc1cccc(Cl)c1)N1CCCC1 ZINC000741013368 1129426956 /nfs/dbraw/zinc/42/69/56/1129426956.db2.gz IYORHHZPHMWHEM-OAHLLOKOSA-N 0 1 295.810 3.504 20 0 CHADMN Cc1n[nH]c(C2CC2)c1-c1nc(-c2cccc(C)c2C)no1 ZINC001212958686 1129427606 /nfs/dbraw/zinc/42/76/06/1129427606.db2.gz GSAMITURJOVBQM-UHFFFAOYSA-N 0 1 294.358 3.929 20 0 CHADMN CCCC[C@H](CC)CSc1nc(C2CC2)n[nH]1 ZINC000643095983 1129427876 /nfs/dbraw/zinc/42/78/76/1129427876.db2.gz KNYSLGSVXXPNBR-JTQLQIEISA-N 0 1 253.415 3.991 20 0 CHADMN CCCC[C@H](CC)CSc1n[nH]c(C2CC2)n1 ZINC000643095983 1129427877 /nfs/dbraw/zinc/42/78/77/1129427877.db2.gz KNYSLGSVXXPNBR-JTQLQIEISA-N 0 1 253.415 3.991 20 0 CHADMN CCc1nn(C)cc1CN1CCc2sccc2[C@H]1CC ZINC000179761178 1129433197 /nfs/dbraw/zinc/43/31/97/1129433197.db2.gz CDCKRAOGXWKMTK-OAHLLOKOSA-N 0 1 289.448 3.553 20 0 CHADMN CCCN(CCC)c1nccc2cc(OC)ccc21 ZINC001155179302 1129443005 /nfs/dbraw/zinc/44/30/05/1129443005.db2.gz MCLQBUSNKTWUEJ-UHFFFAOYSA-N 0 1 258.365 3.870 20 0 CHADMN CC(C)(C)OC(=O)Nc1ccc(NC(=N)C(C)(C)C)nc1 ZINC001155180001 1129444092 /nfs/dbraw/zinc/44/40/92/1129444092.db2.gz HGCVVUSQZJMOKQ-UHFFFAOYSA-N 0 1 292.383 3.864 20 0 CHADMN COc1ccc2ccnc(NC(=N)C(C)(C)C)c2c1 ZINC001155180360 1129444113 /nfs/dbraw/zinc/44/41/13/1129444113.db2.gz TWSHJFHZDUVRDS-UHFFFAOYSA-N 0 1 257.337 3.679 20 0 CHADMN CC(C)n1cncc1CN[C@@H]1CSCc2ccccc21 ZINC000643752700 1129448997 /nfs/dbraw/zinc/44/89/97/1129448997.db2.gz SMXSGLDIOKGNMR-MRXNPFEDSA-N 0 1 287.432 3.542 20 0 CHADMN CCC1(CC)CCN(Cc2cccnc2Cl)C1 ZINC000094801054 1129452620 /nfs/dbraw/zinc/45/26/20/1129452620.db2.gz PUXMSENKKHSRBV-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN C[C@H](c1ccccc1F)[N@@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000249715263 1129456497 /nfs/dbraw/zinc/45/64/97/1129456497.db2.gz HXMZOJIRMILCOU-SJKOYZFVSA-N 0 1 291.341 3.691 20 0 CHADMN C[C@H](c1ccccc1F)N(C)C[C@@H](O)c1ccc(F)cc1 ZINC000249715263 1129456499 /nfs/dbraw/zinc/45/64/99/1129456499.db2.gz HXMZOJIRMILCOU-SJKOYZFVSA-N 0 1 291.341 3.691 20 0 CHADMN CCCCCC[C@@H](C)C(=O)N1CCN(C2CCCC2)CC1 ZINC000742045639 1129465497 /nfs/dbraw/zinc/46/54/97/1129465497.db2.gz OURAEIWXCFGPCB-MRXNPFEDSA-N 0 1 294.483 3.680 20 0 CHADMN Fc1cccc(N[C@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000644541517 1129469707 /nfs/dbraw/zinc/46/97/07/1129469707.db2.gz YTGFKPXIQFTEEL-AWEZNQCLSA-N 0 1 274.343 3.677 20 0 CHADMN CCCc1nc(C)c(CN2CCC[C@H]2c2cccc(C)n2)o1 ZINC000644673623 1129474506 /nfs/dbraw/zinc/47/45/06/1129474506.db2.gz QELOCALGHQZZJU-INIZCTEOSA-N 0 1 299.418 3.976 20 0 CHADMN CCCCC[C@H](CCC)N1CCc2cnn(C)c2C1 ZINC001258673045 1129486703 /nfs/dbraw/zinc/48/67/03/1129486703.db2.gz HYEKMKOAFNDWSD-HNNXBMFYSA-N 0 1 263.429 3.527 20 0 CHADMN Cc1ccc2ccnc(NC[C@@H](c3ccco3)N(C)C)c2c1 ZINC000645096159 1129488043 /nfs/dbraw/zinc/48/80/43/1129488043.db2.gz NVKIWOCXVWSPMB-INIZCTEOSA-N 0 1 295.386 3.851 20 0 CHADMN [O-]c1cccc(C[NH2+]C2(Cc3ccccc3)CC2)c1Cl ZINC000645172408 1129490130 /nfs/dbraw/zinc/49/01/30/1129490130.db2.gz TZZODHJHEMCFSZ-UHFFFAOYSA-N 0 1 287.790 3.911 20 0 CHADMN C[C@@H]1CC(CC[NH2+]Cc2cccc([O-])c2Cl)C[C@@H](C)O1 ZINC000645178626 1129490440 /nfs/dbraw/zinc/49/04/40/1129490440.db2.gz JKMBPEKYMOQAPX-VXGBXAGGSA-N 0 1 297.826 3.729 20 0 CHADMN C1=C(CN[C@H](c2ccccc2)c2ccccn2)CCC1 ZINC000645817286 1129508161 /nfs/dbraw/zinc/50/81/61/1129508161.db2.gz AAYCEQWBSKOYHY-GOSISDBHSA-N 0 1 264.372 3.871 20 0 CHADMN Fc1cccc(F)c1CCN1CCC[C@H]1c1ccc[nH]1 ZINC000645819885 1129508687 /nfs/dbraw/zinc/50/86/87/1129508687.db2.gz NHFXNMWFYDHZSS-INIZCTEOSA-N 0 1 276.330 3.673 20 0 CHADMN Fc1cc(Cl)c2c(c1)CN(CCC[C@H]1CCOC1)CC2 ZINC000645924287 1129513069 /nfs/dbraw/zinc/51/30/69/1129513069.db2.gz SSMHVCDMIKQVGW-LBPRGKRZSA-N 0 1 297.801 3.654 20 0 CHADMN COc1ccc(OC)c(CNC2(c3ccccc3C)CC2)c1 ZINC000645979555 1129514999 /nfs/dbraw/zinc/51/49/99/1129514999.db2.gz TXGZJHAMXRRJEO-UHFFFAOYSA-N 0 1 297.398 3.791 20 0 CHADMN CCCN(Cc1csc(Br)n1)[C@H](C)CC ZINC001137577144 1131379253 /nfs/dbraw/zinc/37/92/53/1131379253.db2.gz OZSNMNWFYSAPGQ-SECBINFHSA-N 0 1 291.258 3.916 20 0 CHADMN COCc1ccc(CNC2(c3ccccc3OC)CC2)cc1 ZINC000646001600 1129515892 /nfs/dbraw/zinc/51/58/92/1129515892.db2.gz VLJWLFGDGVZJCA-UHFFFAOYSA-N 0 1 297.398 3.621 20 0 CHADMN Fc1cccc(C2(NCc3cncc(F)c3)CCC2)c1 ZINC000646001821 1129516046 /nfs/dbraw/zinc/51/60/46/1129516046.db2.gz PTBMXMVBKJLACU-UHFFFAOYSA-N 0 1 274.314 3.529 20 0 CHADMN Cc1ccc(CN(Cc2ccccc2F)CC2CC2)cn1 ZINC000646018677 1129516960 /nfs/dbraw/zinc/51/69/60/1129516960.db2.gz IZZDWYNRUUPKGP-UHFFFAOYSA-N 0 1 284.378 3.941 20 0 CHADMN C[C@@]1(Cc2ccccc2F)CCCN1Cc1cscn1 ZINC000646013608 1129517356 /nfs/dbraw/zinc/51/73/56/1129517356.db2.gz HJTKUZNSPZXAEJ-INIZCTEOSA-N 0 1 290.407 3.879 20 0 CHADMN Cc1ccnc(CNC2(c3cccc(F)c3)CCC2)c1 ZINC000646002213 1129517553 /nfs/dbraw/zinc/51/75/53/1129517553.db2.gz WNZCYJYUHHZJCX-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN C[C@@H](C(=O)c1c[nH]c2ncccc12)N(C)CCC(C)(C)C ZINC000646028676 1129519606 /nfs/dbraw/zinc/51/96/06/1129519606.db2.gz QDSKPGJWBZKBDB-LBPRGKRZSA-N 0 1 287.407 3.502 20 0 CHADMN CC(C)[C@H](C)N(C)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743354586 1129520453 /nfs/dbraw/zinc/52/04/53/1129520453.db2.gz QFTDVVNZQPOVRR-SWLSCSKDSA-N 0 1 294.826 3.547 20 0 CHADMN OCC[C@@H](NCc1cccc(Cl)c1)c1ccccc1F ZINC000646066495 1129520680 /nfs/dbraw/zinc/52/06/80/1129520680.db2.gz WEFWDWHAZXNGQV-MRXNPFEDSA-N 0 1 293.769 3.692 20 0 CHADMN Cc1cc(CN2CCOC[C@H]2C2CCC2)c2ccccc2n1 ZINC000646061117 1129520690 /nfs/dbraw/zinc/52/06/90/1129520690.db2.gz GXVSKPKMGGTERX-IBGZPJMESA-N 0 1 296.414 3.544 20 0 CHADMN CC(C)CCN(C)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743359631 1129520900 /nfs/dbraw/zinc/52/09/00/1129520900.db2.gz ZNWYMALIPJMSEN-OAHLLOKOSA-N 0 1 294.826 3.549 20 0 CHADMN C1=CCC2(CN(Cc3cccnc3)[C@H]2c2ccccc2)C1 ZINC000646116982 1129523836 /nfs/dbraw/zinc/52/38/36/1129523836.db2.gz MCJJATSKUWPUSF-SFHVURJKSA-N 0 1 276.383 3.975 20 0 CHADMN Cc1nc2c(s1)CN([C@H]1C[C@@H](C)CC(C)(C)C1)C2 ZINC001258700719 1129524567 /nfs/dbraw/zinc/52/45/67/1129524567.db2.gz BCZXFBVPGIXIQQ-PWSUYJOCSA-N 0 1 264.438 3.982 20 0 CHADMN CC[C@@H](NCc1cncc(F)c1)c1csc(C)c1 ZINC000646126648 1129524585 /nfs/dbraw/zinc/52/45/85/1129524585.db2.gz BXEUNCIBQZMVKB-CQSZACIVSA-N 0 1 264.369 3.832 20 0 CHADMN Nc1ncccc1CN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646118286 1129524722 /nfs/dbraw/zinc/52/47/22/1129524722.db2.gz HVNBUNGDUKHOIQ-QGZVFWFLSA-N 0 1 291.398 3.557 20 0 CHADMN COc1cc(C)nc(CNC2(c3ccc(C)cc3)CCC2)c1 ZINC000646130777 1129525275 /nfs/dbraw/zinc/52/52/75/1129525275.db2.gz HZLZVWGDABSMME-UHFFFAOYSA-N 0 1 296.414 3.876 20 0 CHADMN Cc1ccc(C2(NCc3ncccc3C)CCC2)cc1 ZINC000646130754 1129525743 /nfs/dbraw/zinc/52/57/43/1129525743.db2.gz GIRXWXUKRVCEHM-UHFFFAOYSA-N 0 1 266.388 3.867 20 0 CHADMN C(c1nnc(C2CC2)s1)N1CCCC[C@@H]1C1CCC1 ZINC000646140020 1129526267 /nfs/dbraw/zinc/52/62/67/1129526267.db2.gz OFJWPFGVMJCGHZ-CYBMUJFWSA-N 0 1 277.437 3.570 20 0 CHADMN Clc1cnccc1CN(CCc1ccccc1)C1CC1 ZINC000743843144 1129540846 /nfs/dbraw/zinc/54/08/46/1129540846.db2.gz RMWKRSSZBIQWIN-UHFFFAOYSA-N 0 1 286.806 3.942 20 0 CHADMN CCOC(=O)c1cc2[nH]c(-c3ccccc3F)ccc-2n1 ZINC001239550662 1131381176 /nfs/dbraw/zinc/38/11/76/1131381176.db2.gz VOQTUJQCWVUDKZ-UHFFFAOYSA-N 0 1 284.290 3.546 20 0 CHADMN CC(C)C[C@@H](N)c1noc(/C=C/c2cccc(Cl)c2)n1 ZINC000647130400 1129550978 /nfs/dbraw/zinc/55/09/78/1129550978.db2.gz YIHRILJOXHJSMT-KTRBRXNASA-N 0 1 291.782 3.939 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cc3cccc(F)c3o2)n1 ZINC000647133077 1129551362 /nfs/dbraw/zinc/55/13/62/1129551362.db2.gz XZDQHAFNYYMSHW-LLVKDONJSA-N 0 1 289.310 3.668 20 0 CHADMN Cc1cccc(C2(c3nc([C@H]4CCCN4)no3)CCCC2)c1 ZINC000647150341 1129553057 /nfs/dbraw/zinc/55/30/57/1129553057.db2.gz CZPZIKCNXAIPEK-OAHLLOKOSA-N 0 1 297.402 3.663 20 0 CHADMN CC(C)Cn1nccc1CNCc1ccc(Cl)s1 ZINC000647169181 1129553798 /nfs/dbraw/zinc/55/37/98/1129553798.db2.gz DFOJXKZXXOHZMY-UHFFFAOYSA-N 0 1 283.828 3.544 20 0 CHADMN C[C@@H]1C[C@@H](N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CO1 ZINC000647198515 1129555964 /nfs/dbraw/zinc/55/59/64/1129555964.db2.gz JQWUFVDBFVJRJG-WQAKAFBOSA-N 0 1 291.288 3.586 20 0 CHADMN Fc1ccccc1C1(NCc2ccc3[nH]cnc3c2)CCC1 ZINC000647237243 1129560054 /nfs/dbraw/zinc/56/00/54/1129560054.db2.gz MDFGLFUVMWONIO-UHFFFAOYSA-N 0 1 295.361 3.871 20 0 CHADMN C[C@H]1SCC[C@H]1NCc1csc(-c2ccsc2)n1 ZINC000647258190 1129562022 /nfs/dbraw/zinc/56/20/22/1129562022.db2.gz VGFZQBZOONLPNG-BXKDBHETSA-N 0 1 296.486 3.855 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccccc21)c1cc2n(n1)CCCC2 ZINC000647281520 1129563463 /nfs/dbraw/zinc/56/34/63/1129563463.db2.gz TWXMPQJEFKFVSN-CXAGYDPISA-N 0 1 281.403 3.558 20 0 CHADMN Cc1[nH]ncc1[C@H](C)Nc1cnn([C@H](C)c2ccccc2)c1 ZINC000647328660 1129569270 /nfs/dbraw/zinc/56/92/70/1129569270.db2.gz XAGYZXRTWFUPNA-GXTWGEPZSA-N 0 1 295.390 3.697 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccccc1F)c1cccc(F)c1 ZINC000647346245 1129571860 /nfs/dbraw/zinc/57/18/60/1129571860.db2.gz SVHCHYMOAVRMSN-SJKOYZFVSA-N 0 1 291.341 3.739 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccccc1F)c1ccccc1 ZINC000647344870 1129572002 /nfs/dbraw/zinc/57/20/02/1129572002.db2.gz AMEOIGJQGMHFMA-SUMWQHHRSA-N 0 1 273.351 3.600 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccccc1F)c1cccc(F)c1 ZINC000647346243 1129572348 /nfs/dbraw/zinc/57/23/48/1129572348.db2.gz SVHCHYMOAVRMSN-PXAZEXFGSA-N 0 1 291.341 3.739 20 0 CHADMN Cn1ccc2c1nccc2NCCC1=CCCCC1 ZINC001168773954 1129573265 /nfs/dbraw/zinc/57/32/65/1129573265.db2.gz BQUYGJRKURZPBL-UHFFFAOYSA-N 0 1 255.365 3.876 20 0 CHADMN Cc1cc(C)cc(NC(=O)CN2CCC3(CCCC3)C2)c1 ZINC000744422147 1129577030 /nfs/dbraw/zinc/57/70/30/1129577030.db2.gz UYALVECQDPWMEC-UHFFFAOYSA-N 0 1 286.419 3.508 20 0 CHADMN CCCCOC(=O)[C@@H](C)Sc1nc2ccc(C)cc2[nH]1 ZINC000303854293 1129577343 /nfs/dbraw/zinc/57/73/43/1129577343.db2.gz FDJXPXVNMPWXTC-LLVKDONJSA-N 0 1 292.404 3.695 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1Cn1ccn(C(C)C)c1=S ZINC000744442087 1129578298 /nfs/dbraw/zinc/57/82/98/1129578298.db2.gz WYKZVOHPWLOXNT-CHWSQXEVSA-N 0 1 267.442 3.678 20 0 CHADMN Cc1ccc(CNCc2nc3ccccc3nc2C)s1 ZINC000647925191 1129588409 /nfs/dbraw/zinc/58/84/09/1129588409.db2.gz UEPBEVLBEVYRQV-UHFFFAOYSA-N 0 1 283.400 3.598 20 0 CHADMN CC1(CC(F)F)CN(CCc2cccc(Cl)c2)C1 ZINC000648058961 1129593664 /nfs/dbraw/zinc/59/36/64/1129593664.db2.gz MRJDHBKAGWUWPP-UHFFFAOYSA-N 0 1 273.754 3.860 20 0 CHADMN COc1ccc(-c2ccc3c(C)[nH]nc3c2)c(C)c1 ZINC001241639665 1129594932 /nfs/dbraw/zinc/59/49/32/1129594932.db2.gz PKPFIDNBDYODEA-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN C[C@@H](N[C@@H]1CSCc2ccccc21)c1ccccn1 ZINC000037219060 1129597075 /nfs/dbraw/zinc/59/70/75/1129597075.db2.gz YQYXBUYRZHJBAR-MLGOLLRUSA-N 0 1 270.401 3.720 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H]2CCCC23CCC3)no1 ZINC000648527597 1129610933 /nfs/dbraw/zinc/61/09/33/1129610933.db2.gz SFMOCTGPMCUBIC-HNNXBMFYSA-N 0 1 297.402 3.857 20 0 CHADMN CCOC(=O)c1cc2[nH]c(-c3cscc3C)ccc-2n1 ZINC001241726750 1129611190 /nfs/dbraw/zinc/61/11/90/1129611190.db2.gz VKHQPFUGBCWYLS-UHFFFAOYSA-N 0 1 286.356 3.777 20 0 CHADMN COc1cc(-c2cccc3nc[nH]c32)ccc1Cl ZINC001241732345 1129613867 /nfs/dbraw/zinc/61/38/67/1129613867.db2.gz AZBUCRWAHIYSGV-UHFFFAOYSA-N 0 1 258.708 3.892 20 0 CHADMN CCOc1ccccc1-c1cccc(CN(C)C)c1F ZINC001239560456 1131386154 /nfs/dbraw/zinc/38/61/54/1131386154.db2.gz VCZSAZOYGWVHAT-UHFFFAOYSA-N 0 1 273.351 3.953 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(C)oc2C)cc1OC ZINC000746048280 1129623337 /nfs/dbraw/zinc/62/33/37/1129623337.db2.gz ZYTPXWKBBBQMAH-LBPRGKRZSA-N 0 1 289.375 3.764 20 0 CHADMN CC(C)CN(Cc1ccccc1)Cn1cc(Cl)cn1 ZINC000746061935 1129623521 /nfs/dbraw/zinc/62/35/21/1129623521.db2.gz OYSRNCMIUAZLIZ-UHFFFAOYSA-N 0 1 277.799 3.652 20 0 CHADMN Cc1csc(CNCc2nc3c(s2)CCCC3)c1 ZINC000648729022 1129623910 /nfs/dbraw/zinc/62/39/10/1129623910.db2.gz VGGJYZBYNHRPLM-UHFFFAOYSA-N 0 1 278.446 3.682 20 0 CHADMN CN(Cc1cc(Cl)cn1C)Cc1cccc2cnccc21 ZINC000183410130 1129624870 /nfs/dbraw/zinc/62/48/70/1129624870.db2.gz YNDWHIYMMUJDGO-UHFFFAOYSA-N 0 1 299.805 3.859 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)CN2CCC[C@H]2C)cc1 ZINC000746092602 1129625568 /nfs/dbraw/zinc/62/55/68/1129625568.db2.gz YPKXZNTWZGYQDN-ZIAGYGMSSA-N 0 1 274.408 3.623 20 0 CHADMN CCCN(CC)CC(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000746108154 1129626541 /nfs/dbraw/zinc/62/65/41/1129626541.db2.gz XJVIWJAPOWMORD-CQSZACIVSA-N 0 1 276.424 3.871 20 0 CHADMN C[C@@H](NC[C@](C)(O)c1cccs1)c1c(F)cccc1F ZINC000305155686 1129630407 /nfs/dbraw/zinc/63/04/07/1129630407.db2.gz VQINHCHFDOLSOD-BMIGLBTASA-N 0 1 297.370 3.585 20 0 CHADMN Cc1ccc(CN2Cc3ccccc3[C@@H](C)C2)nc1 ZINC000746310636 1129630462 /nfs/dbraw/zinc/63/04/62/1129630462.db2.gz UYPUBLYENZHMQM-AWEZNQCLSA-N 0 1 252.361 3.509 20 0 CHADMN Fc1cccc([C@H]2CCN2CC2CC(F)(F)C2)c1 ZINC000649338710 1129641671 /nfs/dbraw/zinc/64/16/71/1129641671.db2.gz IEZXNALZBUMDLT-CYBMUJFWSA-N 0 1 255.283 3.618 20 0 CHADMN COc1cc(CN[C@@H](C)c2cnccc2C)ccc1Cl ZINC000649421758 1129644414 /nfs/dbraw/zinc/64/44/14/1129644414.db2.gz DBOAHVWUNSBHJC-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@H]1CN(Cc2ccc3c(c2)OCCO3)Cc2ccccc21 ZINC000746385815 1129653531 /nfs/dbraw/zinc/65/35/31/1129653531.db2.gz BIOBYCCVESGBFV-AWEZNQCLSA-N 0 1 295.382 3.577 20 0 CHADMN Cc1nc2c(s1)CN(Cc1cccc3ncccc13)CC2 ZINC001137629352 1131388426 /nfs/dbraw/zinc/38/84/26/1131388426.db2.gz JJJYZZJWFBBABR-UHFFFAOYSA-N 0 1 295.411 3.558 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2cc3n(n2)CCCC3)c1 ZINC000649493365 1129654503 /nfs/dbraw/zinc/65/45/03/1129654503.db2.gz JSOGTPVVOSWZFA-IBGZPJMESA-N 0 1 295.430 3.865 20 0 CHADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc2n(n1)CCCC2 ZINC000649541184 1129655439 /nfs/dbraw/zinc/65/54/39/1129655439.db2.gz ULNRBUBVEBBVMI-SFHVURJKSA-N 0 1 297.446 3.673 20 0 CHADMN Cc1cccc([C@H]2CCC[N@H+]2Cc2cc3n(n2)CCC3)c1C ZINC000649539726 1129655621 /nfs/dbraw/zinc/65/56/21/1129655621.db2.gz DVUOLXNZYSDKRZ-LJQANCHMSA-N 0 1 295.430 3.783 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2cc3n(n2)CCC3)c1C ZINC000649539726 1129655624 /nfs/dbraw/zinc/65/56/24/1129655624.db2.gz DVUOLXNZYSDKRZ-LJQANCHMSA-N 0 1 295.430 3.783 20 0 CHADMN CCc1ccc([C@H]2CCCC[N@H+]2CCc2cncc(C)n2)o1 ZINC000649539750 1129655859 /nfs/dbraw/zinc/65/58/59/1129655859.db2.gz FTXQTPGJWNIQOK-QGZVFWFLSA-N 0 1 299.418 3.710 20 0 CHADMN CC[C@H](NCc1cnc(C(F)(F)F)nc1)c1ccccc1 ZINC000649573555 1129659380 /nfs/dbraw/zinc/65/93/80/1129659380.db2.gz HPHUDFCSBOVXBE-ZDUSSCGKSA-N 0 1 295.308 3.736 20 0 CHADMN Clc1ccccc1C1(NCc2cccnc2)CCC1 ZINC000649643564 1129664658 /nfs/dbraw/zinc/66/46/58/1129664658.db2.gz RVAGOIFOGFJKAK-UHFFFAOYSA-N 0 1 272.779 3.904 20 0 CHADMN FC(F)(F)[C@@H]1CC[N@@H+](Cc2ccccc2OC2CC2)C1 ZINC000828529903 1131389263 /nfs/dbraw/zinc/38/92/63/1131389263.db2.gz YHHGHUWLZYTQGK-GFCCVEGCSA-N 0 1 285.309 3.612 20 0 CHADMN FC(F)(F)[C@@H]1CCN(Cc2ccccc2OC2CC2)C1 ZINC000828529903 1131389265 /nfs/dbraw/zinc/38/92/65/1131389265.db2.gz YHHGHUWLZYTQGK-GFCCVEGCSA-N 0 1 285.309 3.612 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CCC12CCCC2 ZINC000649657805 1129666519 /nfs/dbraw/zinc/66/65/19/1129666519.db2.gz NMZJZKVEXFITDD-UHFFFAOYSA-N 0 1 287.382 3.714 20 0 CHADMN Fc1ccc(-c2nc(CN3CCC34CCCC4)co2)cc1 ZINC000649655749 1129666732 /nfs/dbraw/zinc/66/67/32/1129666732.db2.gz NQEPPINEMJGLPE-UHFFFAOYSA-N 0 1 286.350 3.999 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(F)F)cc2)C2(CCC2)CO1 ZINC000649822678 1129680249 /nfs/dbraw/zinc/68/02/49/1129680249.db2.gz MVZJDNIOCODOIH-GFCCVEGCSA-N 0 1 281.346 3.768 20 0 CHADMN CC(C)n1ccc(CN2CCc3ccccc3[C@H](C)C2)n1 ZINC000649834135 1129681543 /nfs/dbraw/zinc/68/15/43/1129681543.db2.gz DDQIGDNYUFLYPJ-OAHLLOKOSA-N 0 1 283.419 3.626 20 0 CHADMN CC(C)n1nccc1CN1CCc2ccccc2[C@H](C)C1 ZINC000649835904 1129681621 /nfs/dbraw/zinc/68/16/21/1129681621.db2.gz VTCZGGJQFRZNEB-OAHLLOKOSA-N 0 1 283.419 3.626 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2cc(C)ccc2C)nc1 ZINC001168926220 1129682940 /nfs/dbraw/zinc/68/29/40/1129682940.db2.gz YUHFDERVVYJPAU-OAHLLOKOSA-N 0 1 284.403 3.948 20 0 CHADMN Cc1nc(CN2CCc3ccc(F)cc3[C@@H](C)C2)cs1 ZINC000649893604 1129684384 /nfs/dbraw/zinc/68/43/84/1129684384.db2.gz LGEQWUXMVWHJFQ-NSHDSACASA-N 0 1 290.407 3.752 20 0 CHADMN Cc1ccc(CN(C)[C@H]2CCc3ccc(F)cc32)nc1 ZINC000649900581 1129684734 /nfs/dbraw/zinc/68/47/34/1129684734.db2.gz KNBDQSBNDVLUJI-KRWDZBQOSA-N 0 1 270.351 3.648 20 0 CHADMN CNC(C)(C)c1nc(-c2ccc(C)c3ccccc23)no1 ZINC001206000513 1129701965 /nfs/dbraw/zinc/70/19/65/1129701965.db2.gz RJJAHVVRNKOLPA-UHFFFAOYSA-N 0 1 281.359 3.653 20 0 CHADMN COC(=O)[C@@H]1CCCCCN1CC/C=C/c1ccccc1 ZINC001169153640 1129705583 /nfs/dbraw/zinc/70/55/83/1129705583.db2.gz QGHICDLWBRGRQS-CRVDFBCUSA-N 0 1 287.403 3.508 20 0 CHADMN Clc1cncc(Cl)c1CNc1cccn2cncc12 ZINC001169186906 1129706459 /nfs/dbraw/zinc/70/64/59/1129706459.db2.gz VPYZWABZFLDXML-UHFFFAOYSA-N 0 1 293.157 3.648 20 0 CHADMN COc1cccnc1CNc1nccc2cc(C)ccc21 ZINC001169203491 1129706889 /nfs/dbraw/zinc/70/68/89/1129706889.db2.gz ZTSOVLMUFGXOSW-UHFFFAOYSA-N 0 1 279.343 3.559 20 0 CHADMN FC1(F)CCC[C@@H](Nc2ccc3nc[nH]c3c2)C1 ZINC001169220150 1129709768 /nfs/dbraw/zinc/70/97/68/1129709768.db2.gz VVQCQXPTOHAYQT-SNVBAGLBSA-N 0 1 251.280 3.553 20 0 CHADMN Cn1ccc2c1nccc2N[C@@H](C1CCC1)C(F)(F)F ZINC001169287290 1129715701 /nfs/dbraw/zinc/71/57/01/1129715701.db2.gz IPFJTUGZDIIKNX-LBPRGKRZSA-N 0 1 283.297 3.716 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1ccc(CF)cc1)CCO2 ZINC000796432360 1129716624 /nfs/dbraw/zinc/71/66/24/1129716624.db2.gz WWIMALPRIFKQGG-UHFFFAOYSA-N 0 1 285.362 3.859 20 0 CHADMN CC1(C)CCCN(CC(=O)Nc2ccc3ccccc3c2)C1 ZINC001169300563 1129717829 /nfs/dbraw/zinc/71/78/29/1129717829.db2.gz NEEPQZRTRPJETC-UHFFFAOYSA-N 0 1 296.414 3.900 20 0 CHADMN CC1(NCc2ccc(F)cc2Cl)CC(F)(F)C1 ZINC000720922968 1129720055 /nfs/dbraw/zinc/72/00/55/1129720055.db2.gz MBWYJMDMZTUEHG-UHFFFAOYSA-N 0 1 263.690 3.757 20 0 CHADMN CC1(NCc2cscc2Br)CC(F)(F)C1 ZINC000720938414 1129720868 /nfs/dbraw/zinc/72/08/68/1129720868.db2.gz XNIRBGCNCJBUOQ-UHFFFAOYSA-N 0 1 296.180 3.788 20 0 CHADMN CCc1cnc(C[N@@H+](C)CC[C@H]2CC2(Cl)Cl)s1 ZINC000822664127 1131393312 /nfs/dbraw/zinc/39/33/12/1131393312.db2.gz KXLYPMHRTOXZBS-VIFPVBQESA-N 0 1 293.263 3.721 20 0 CHADMN CCc1cnc(CN(C)CC[C@H]2CC2(Cl)Cl)s1 ZINC000822664127 1131393317 /nfs/dbraw/zinc/39/33/17/1131393317.db2.gz KXLYPMHRTOXZBS-VIFPVBQESA-N 0 1 293.263 3.721 20 0 CHADMN CCCC(C)(C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000651044047 1129727846 /nfs/dbraw/zinc/72/78/46/1129727846.db2.gz ZJLDCIBCCMXGTC-UHFFFAOYSA-N 0 1 259.353 3.636 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)NC2(CC)CCCC2)o1 ZINC000651094592 1129728645 /nfs/dbraw/zinc/72/86/45/1129728645.db2.gz ONLSIDBKEUBZTQ-UHFFFAOYSA-N 0 1 292.423 3.574 20 0 CHADMN CC[C@@H]1CCN(Cc2csc(C3CC3)n2)[C@@H]1C ZINC001169494139 1129730712 /nfs/dbraw/zinc/73/07/12/1129730712.db2.gz DMVYJHALNBIUIJ-GHMZBOCLSA-N 0 1 250.411 3.641 20 0 CHADMN CC1(NCc2ccccc2Br)CC(F)(F)C1 ZINC000720967318 1129731082 /nfs/dbraw/zinc/73/10/82/1129731082.db2.gz PYDLXWJTYJEOPS-UHFFFAOYSA-N 0 1 290.151 3.727 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@@H](C)c1csc(C)c1 ZINC000651215838 1129733410 /nfs/dbraw/zinc/73/34/10/1129733410.db2.gz GGWQBKPTIWURBG-ZDUSSCGKSA-N 0 1 290.432 3.928 20 0 CHADMN CCc1cccc(CNCc2cccc(OC)c2OC)c1 ZINC000651682886 1129744283 /nfs/dbraw/zinc/74/42/83/1129744283.db2.gz KYVKMRUXYAQJQR-UHFFFAOYSA-N 0 1 285.387 3.556 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1cc2cnccc2o1 ZINC000651766853 1129747636 /nfs/dbraw/zinc/74/76/36/1129747636.db2.gz WYANXHWIBGHCSF-MFKMUULPSA-N 0 1 298.308 3.991 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2cccc3c2CCC3)n[nH]1 ZINC000651785511 1129747915 /nfs/dbraw/zinc/74/79/15/1129747915.db2.gz GFBXKHVUTTVPAY-CHWSQXEVSA-N 0 1 298.434 3.658 20 0 CHADMN F[C@]1(c2ccccc2)CCN(Cc2cc3cnccc3o2)C1 ZINC000651795521 1129748911 /nfs/dbraw/zinc/74/89/11/1129748911.db2.gz COYMIIIKXFMIHM-GOSISDBHSA-N 0 1 296.345 3.899 20 0 CHADMN CC[C@@H]1CN(Cc2ccnc3ccccc23)[C@@H](CC)CO1 ZINC000651912087 1129751273 /nfs/dbraw/zinc/75/12/73/1129751273.db2.gz KKZYQOIBEULEHN-JKSUJKDBSA-N 0 1 284.403 3.624 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3nc(C)ccc3c2)[C@H](C)CO1 ZINC000651932041 1129752258 /nfs/dbraw/zinc/75/22/58/1129752258.db2.gz JWTFLBHAXCBCCS-RHSMWYFYSA-N 0 1 284.403 3.543 20 0 CHADMN CCc1cccc(CNCc2cc(F)c(F)c(F)c2)c1 ZINC000652032891 1129755742 /nfs/dbraw/zinc/75/57/42/1129755742.db2.gz KGKBZPOJLWQJCS-UHFFFAOYSA-N 0 1 279.305 3.956 20 0 CHADMN Cc1c2nc[nH]c2ccc1N[C@@H]1C[C@H]1c1ccccc1 ZINC001169813190 1129758630 /nfs/dbraw/zinc/75/86/30/1129758630.db2.gz TZHZOZLBQPALLF-XJKSGUPXSA-N 0 1 263.344 3.839 20 0 CHADMN FC(F)Oc1ccnc(N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC001169815697 1129758968 /nfs/dbraw/zinc/75/89/68/1129758968.db2.gz CAPRESHISZBXQJ-QWHCGFSZSA-N 0 1 276.286 3.651 20 0 CHADMN CC(C)Cc1ccc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)cc1 ZINC001169890636 1129761801 /nfs/dbraw/zinc/76/18/01/1129761801.db2.gz PVGCXAWIOQGDFR-DNVCBOLYSA-N 0 1 287.447 3.884 20 0 CHADMN C[C@@H]1CCC[N@H+]1[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000652411246 1129764985 /nfs/dbraw/zinc/76/49/85/1129764985.db2.gz TYDMXVPLLQGPEQ-PELKAZGASA-N 0 1 288.174 3.603 20 0 CHADMN CC(C)(C)[C@H]1CN(CCSCc2ccccc2)CCO1 ZINC001169929245 1129765626 /nfs/dbraw/zinc/76/56/26/1129765626.db2.gz VTTNEWRGUNAQQE-MRXNPFEDSA-N 0 1 293.476 3.667 20 0 CHADMN c1ccc(CCCC2CCN(Cc3cncnc3)CC2)cc1 ZINC001137663830 1131396364 /nfs/dbraw/zinc/39/63/64/1131396364.db2.gz NJKYSZXVVVLEQJ-UHFFFAOYSA-N 0 1 295.430 3.712 20 0 CHADMN Cc1cc(CN[C@H](Cn2cccn2)c2ccccc2)c(C)o1 ZINC000767377412 1129790755 /nfs/dbraw/zinc/79/07/55/1129790755.db2.gz LQTUTYPZFVNVQK-GOSISDBHSA-N 0 1 295.386 3.624 20 0 CHADMN C[C@@H]1CN(CCCc2c(F)cccc2F)CCC1(F)F ZINC000653679271 1129791831 /nfs/dbraw/zinc/79/18/31/1129791831.db2.gz VUIBODQOTOQHBU-LLVKDONJSA-N 0 1 289.316 3.875 20 0 CHADMN C[C@@H](N[C@H]1CCC1(C)C)c1nnc(-c2cccs2)o1 ZINC000653746487 1129793906 /nfs/dbraw/zinc/79/39/06/1129793906.db2.gz WELAZGGCYXVNEA-KOLCDFICSA-N 0 1 277.393 3.637 20 0 CHADMN CC1=C(C)CN(C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000796590008 1129795448 /nfs/dbraw/zinc/79/54/48/1129795448.db2.gz QDYCSUSBUZBKDF-OAHLLOKOSA-N 0 1 283.774 3.555 20 0 CHADMN C[C@@H](c1ccncc1)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653906260 1129800836 /nfs/dbraw/zinc/80/08/36/1129800836.db2.gz RDJVFNASLZVYEC-CABCVRRESA-N 0 1 274.408 3.566 20 0 CHADMN C[C@H](c1ccncc1)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653906262 1129801465 /nfs/dbraw/zinc/80/14/65/1129801465.db2.gz RDJVFNASLZVYEC-HUUCEWRRSA-N 0 1 274.408 3.566 20 0 CHADMN CCOC(CN(CC)[C@H](C)c1ccccc1F)OCC ZINC000767774565 1129812592 /nfs/dbraw/zinc/81/25/92/1129812592.db2.gz OXEXWABXJSRTJK-CYBMUJFWSA-N 0 1 283.387 3.608 20 0 CHADMN CCOC(CN1[C@H](C)c2ccc(F)cc2C[C@@H]1C)OCC ZINC000767823004 1129816115 /nfs/dbraw/zinc/81/61/15/1129816115.db2.gz PVDRTLJJSPKQFY-QWHCGFSZSA-N 0 1 295.398 3.532 20 0 CHADMN Cc1cccc([C@@H](O)CN(CCF)Cc2ccccc2)c1 ZINC000767905410 1129820712 /nfs/dbraw/zinc/82/07/12/1129820712.db2.gz MPQLKJBPOXSYHX-SFHVURJKSA-N 0 1 287.378 3.500 20 0 CHADMN CCCCn1nc(C)c(CN2CCC[C@H](C)C2)c1Cl ZINC000768137558 1129834972 /nfs/dbraw/zinc/83/49/72/1129834972.db2.gz IMNFEJWUZQGUJT-LBPRGKRZSA-N 0 1 283.847 3.877 20 0 CHADMN Cc1cc(C[NH2+]Cc2ccc([O-])c(Cl)c2)cs1 ZINC000381257147 1129836056 /nfs/dbraw/zinc/83/60/56/1129836056.db2.gz ZRGREMDSCXUQRX-UHFFFAOYSA-N 0 1 267.781 3.705 20 0 CHADMN Cc1ccc(Br)cc1CNCc1ccoc1 ZINC000381422958 1129839230 /nfs/dbraw/zinc/83/92/30/1129839230.db2.gz XUJKBFHAKLBZRU-UHFFFAOYSA-N 0 1 280.165 3.640 20 0 CHADMN c1c2ccccc2sc1CN1CC(N2CCCCC2)C1 ZINC001137685340 1131400899 /nfs/dbraw/zinc/40/08/99/1131400899.db2.gz IENZDDKSHGYGIF-UHFFFAOYSA-N 0 1 286.444 3.571 20 0 CHADMN COc1ccc(CN2Cc3ccccc3[C@H](C)C2)cc1OC ZINC000768196687 1129842402 /nfs/dbraw/zinc/84/24/02/1129842402.db2.gz UFRLYVYENMAKSD-CQSZACIVSA-N 0 1 297.398 3.823 20 0 CHADMN COCc1ccc(CN2Cc3ccccc3[C@H](C)C2)o1 ZINC000768195037 1129842463 /nfs/dbraw/zinc/84/24/63/1129842463.db2.gz JIXJDXFMMKAKJB-CYBMUJFWSA-N 0 1 271.360 3.545 20 0 CHADMN CCOc1cccc(CN2Cc3ccccc3[C@H](C)C2)n1 ZINC000768197874 1129844452 /nfs/dbraw/zinc/84/44/52/1129844452.db2.gz YHTWURNFSIKQHY-CQSZACIVSA-N 0 1 282.387 3.600 20 0 CHADMN CCC(C)(C)c1ccccc1-c1nc([C@@H]2CCCN2)no1 ZINC000900008781 1129856459 /nfs/dbraw/zinc/85/64/59/1129856459.db2.gz AKZYXSBEDOYZQB-AWEZNQCLSA-N 0 1 285.391 3.849 20 0 CHADMN CC(C)OC[C@H](C)N[C@@H](C)c1nc2ccccc2s1 ZINC000800237431 1129857521 /nfs/dbraw/zinc/85/75/21/1129857521.db2.gz FVUQDWZVDQCKDS-RYUDHWBXSA-N 0 1 278.421 3.760 20 0 CHADMN CC(C)OC[C@@H](C)N[C@@H](C)c1nc2ccccc2s1 ZINC000800237429 1129857761 /nfs/dbraw/zinc/85/77/61/1129857761.db2.gz FVUQDWZVDQCKDS-NEPJUHHUSA-N 0 1 278.421 3.760 20 0 CHADMN Cc1cc(Cl)nc(CNCc2cccc3cccnc32)c1 ZINC000800285356 1129864012 /nfs/dbraw/zinc/86/40/12/1129864012.db2.gz IWOUJJDUXFXFAB-UHFFFAOYSA-N 0 1 297.789 3.881 20 0 CHADMN CC(Cl)=CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000900106739 1129865218 /nfs/dbraw/zinc/86/52/18/1129865218.db2.gz UBEWWSGYAUZHOI-QQBNSCQMSA-N 0 1 291.782 3.519 20 0 CHADMN CCCOc1ccc(NCc2ccc3nc[nH]c3c2)cc1 ZINC000768670700 1129868436 /nfs/dbraw/zinc/86/84/36/1129868436.db2.gz PWXVBEVPBOOHRA-UHFFFAOYSA-N 0 1 281.359 3.964 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2ccccc2OC2CCCC2)[nH]1 ZINC000900260369 1129873223 /nfs/dbraw/zinc/87/32/23/1129873223.db2.gz UHUPPSQYBUFGHX-UHFFFAOYSA-N 0 1 299.374 3.600 20 0 CHADMN CC[C@H]1CCCN(Cc2occc2Br)C1 ZINC000768844570 1129877385 /nfs/dbraw/zinc/87/73/85/1129877385.db2.gz BJRNGWHANJVMJM-JTQLQIEISA-N 0 1 272.186 3.664 20 0 CHADMN COCC[C@@H]1CCC[C@@H]1Nc1ccc(CN(C)C)c(F)c1 ZINC000800488770 1129879754 /nfs/dbraw/zinc/87/97/54/1129879754.db2.gz OOQJTJGDQUZSPW-GUYCJALGSA-N 0 1 294.414 3.504 20 0 CHADMN COc1cccc(CN2CC[C@@H]2Cc2ccccc2)c1F ZINC000800512536 1129881039 /nfs/dbraw/zinc/88/10/39/1129881039.db2.gz JEUOCRJGHQNRSS-MRXNPFEDSA-N 0 1 285.362 3.651 20 0 CHADMN CC(C)CN(C(=O)c1cc(C(F)F)n[nH]1)c1ccccc1 ZINC000900425474 1129883403 /nfs/dbraw/zinc/88/34/03/1129883403.db2.gz YCCRQEMPRAGMNL-UHFFFAOYSA-N 0 1 293.317 3.650 20 0 CHADMN C[C@H](c1ccncc1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000769227920 1129896882 /nfs/dbraw/zinc/89/68/82/1129896882.db2.gz KCSHGJYNRDBAHF-OCCSQVGLSA-N 0 1 288.341 3.910 20 0 CHADMN Fc1cccn2cc(CN3CCC4(CCCC4)CC3)nc12 ZINC000769331211 1129902955 /nfs/dbraw/zinc/90/29/55/1129902955.db2.gz DPJXSKNBXHPDIT-UHFFFAOYSA-N 0 1 287.382 3.630 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1coc(C2CC2)n1)C1CC1 ZINC000769338669 1129903752 /nfs/dbraw/zinc/90/37/52/1129903752.db2.gz NCQFVMVJEYJBAO-RYUDHWBXSA-N 0 1 262.397 3.951 20 0 CHADMN Fc1ccccc1C1CCN(Cc2ccoc2)CC1 ZINC000769465825 1129912173 /nfs/dbraw/zinc/91/21/73/1129912173.db2.gz JKIMHNYDZXLVCO-UHFFFAOYSA-N 0 1 259.324 3.798 20 0 CHADMN CCCCn1nc(C)c(CN2C[C@H](C)C[C@H]2C)c1Cl ZINC000769469827 1129912597 /nfs/dbraw/zinc/91/25/97/1129912597.db2.gz GNLMCDBARSPTPG-VXGBXAGGSA-N 0 1 283.847 3.875 20 0 CHADMN CCC[C@H]1CCCN(Cc2c(CC)nn(C)c2Cl)C1 ZINC000769504690 1129914132 /nfs/dbraw/zinc/91/41/32/1129914132.db2.gz XVVFAJAYXNLFHA-LBPRGKRZSA-N 0 1 283.847 3.648 20 0 CHADMN CCC[C@H](N)c1cc(-c2ccccc2OC(C)C)no1 ZINC000901397616 1129920629 /nfs/dbraw/zinc/92/06/29/1129920629.db2.gz AFUNHLUKKVXRAI-ZDUSSCGKSA-N 0 1 274.364 3.929 20 0 CHADMN Fc1cccc2c1CCN(C[C@@H]1CCC3(CCCC3)O1)C2 ZINC000801525159 1129924082 /nfs/dbraw/zinc/92/40/82/1129924082.db2.gz GCEMIIJMAAHXPL-HNNXBMFYSA-N 0 1 289.394 3.676 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@H]2N1CCO[C@H](C(F)F)C1 ZINC000801564228 1129927378 /nfs/dbraw/zinc/92/73/78/1129927378.db2.gz LVVJRZJCYRJWHT-CABCVRRESA-N 0 1 295.373 3.647 20 0 CHADMN CCc1noc(C)c1[C@H](C)NC/C=C/c1ccccc1 ZINC000769876652 1129930406 /nfs/dbraw/zinc/93/04/06/1129930406.db2.gz RXRLRWJIKHLCNY-YKWSONSWSA-N 0 1 270.376 3.909 20 0 CHADMN Cc1nn(C)c(Cl)c1CN(C)[C@H](C)C1CCCCC1 ZINC000801601390 1129932151 /nfs/dbraw/zinc/93/21/51/1129932151.db2.gz VTUSAXZMAXZYFC-GFCCVEGCSA-N 0 1 283.847 3.783 20 0 CHADMN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1CCC(=O)C1CC1 ZINC000769955393 1129932234 /nfs/dbraw/zinc/93/22/34/1129932234.db2.gz WZDWGPJSDXGEDI-NEPJUHHUSA-N 0 1 275.367 3.503 20 0 CHADMN Cc1nc2c(n1C[C@@H]1CCCC3(CCC3)O1)CCCC2 ZINC000901557848 1129936713 /nfs/dbraw/zinc/93/67/13/1129936713.db2.gz QASMSZBQMYLBPP-AWEZNQCLSA-N 0 1 274.408 3.562 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccc(C(C)(C)C)s1 ZINC000901591569 1129937915 /nfs/dbraw/zinc/93/79/15/1129937915.db2.gz DJWZWNWYCXSJRH-UHFFFAOYSA-N 0 1 297.464 3.978 20 0 CHADMN C[C@H](C[N@@H+](C)CC1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC000901598832 1129938470 /nfs/dbraw/zinc/93/84/70/1129938470.db2.gz ZBXYLJCKTDJSSK-CQSZACIVSA-N 0 1 281.440 3.780 20 0 CHADMN CC[C@@H]1CCC[C@H](C[N@@H+](CCC(=O)[O-])CC(C)C)C1 ZINC000901596765 1129938857 /nfs/dbraw/zinc/93/88/57/1129938857.db2.gz YRCLZVIPRDASNX-CABCVRRESA-N 0 1 269.429 3.636 20 0 CHADMN C[C@H]1CCCC[C@H]1C[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1 ZINC000901626647 1129939219 /nfs/dbraw/zinc/93/92/19/1129939219.db2.gz BVNIVVHZABCMAS-ZFWWWQNUSA-N 0 1 293.382 3.539 20 0 CHADMN CC(C)c1ccc(CC[N@@H+](CCC(=O)[O-])CC2CC2)cc1 ZINC000901613608 1129939302 /nfs/dbraw/zinc/93/93/02/1129939302.db2.gz DFYIWPYKMRVDAA-UHFFFAOYSA-N 0 1 289.419 3.539 20 0 CHADMN CC(C)[C@@H](C[N@@H+](CCC(=O)[O-])CC1CC1)c1ccccc1 ZINC000901615605 1129939605 /nfs/dbraw/zinc/93/96/05/1129939605.db2.gz XJEWSSPQIHSWEH-QGZVFWFLSA-N 0 1 289.419 3.613 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C=Cc3ccccc3F)ccc12 ZINC000770256319 1129943721 /nfs/dbraw/zinc/94/37/21/1129943721.db2.gz BZMNOAKUUJUZIT-TWGQIWQCSA-N 0 1 295.317 3.662 20 0 CHADMN Cc1ccc([C@@H](C)C(=O)Nc2ccc3c(C)[nH]nc3c2)o1 ZINC000770256293 1129943950 /nfs/dbraw/zinc/94/39/50/1129943950.db2.gz BOOQZJUFSRZNST-SNVBAGLBSA-N 0 1 283.331 3.515 20 0 CHADMN CCc1ccc([C@H](CC(C)C)NCc2cn(C)cn2)cc1 ZINC000901683558 1129944160 /nfs/dbraw/zinc/94/41/60/1129944160.db2.gz OFBVDIQQILDGCU-SFHVURJKSA-N 0 1 285.435 3.860 20 0 CHADMN C[C@@H]1CCN[C@@H](c2nc(-c3cccc(Cl)c3F)no2)C1 ZINC000823000451 1131409550 /nfs/dbraw/zinc/40/95/50/1131409550.db2.gz ATWZOIROIOZIEI-LDYMZIIASA-N 0 1 295.745 3.590 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000822991137 1131409687 /nfs/dbraw/zinc/40/96/87/1131409687.db2.gz OSPXVWNAHHTHMF-IWSPIJDZSA-N 0 1 290.156 3.843 20 0 CHADMN C[C@H]1CCC[C@H](C[N@H+]2CCc3cccc(C(=O)[O-])c3C2)C1 ZINC000901778058 1129951730 /nfs/dbraw/zinc/95/17/30/1129951730.db2.gz KWCLHKCSWMHQPE-KBPBESRZSA-N 0 1 287.403 3.569 20 0 CHADMN CC1=C[C@H](C)C[C@@H](C[N@H+]2CCc3cccc(C(=O)[O-])c3C2)C1 ZINC000901779921 1129952120 /nfs/dbraw/zinc/95/21/20/1129952120.db2.gz VNCOBPGPBYRNKJ-DZGCQCFKSA-N 0 1 299.414 3.735 20 0 CHADMN Cc1oncc1-c1ccc2c(c1)C(C(C)C)=NCC2 ZINC001242603032 1129953670 /nfs/dbraw/zinc/95/36/70/1129953670.db2.gz TZZRYHUUPSZQCL-UHFFFAOYSA-N 0 1 254.333 3.651 20 0 CHADMN COc1ccc(CN(C)CCSC(C)(C)C)c(OC)c1 ZINC000801910896 1129957436 /nfs/dbraw/zinc/95/74/36/1129957436.db2.gz DDCROMMUGJTWOS-UHFFFAOYSA-N 0 1 297.464 3.667 20 0 CHADMN CC(C)C[N@@H+](C/C=C\c1ccccc1)CC(C)(C)C(=O)[O-] ZINC000901840494 1129959434 /nfs/dbraw/zinc/95/94/34/1129959434.db2.gz KUXWYSJUTPSAJE-FLIBITNWSA-N 0 1 289.419 3.769 20 0 CHADMN C[C@@H]1CN(CCSC(C)(C)C)[C@H](c2ccccc2)CO1 ZINC000801925883 1129959899 /nfs/dbraw/zinc/95/98/99/1129959899.db2.gz SOSKAOCSGZHLLP-ZBFHGGJFSA-N 0 1 293.476 3.980 20 0 CHADMN Cc1sccc1C[NH2+][C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000901851918 1129960790 /nfs/dbraw/zinc/96/07/90/1129960790.db2.gz VOGWHJMJKZSOCC-OAHLLOKOSA-N 0 1 289.400 3.589 20 0 CHADMN Cc1csc(C2(NCCSC(C)(C)C)CCC2)n1 ZINC000801941598 1129962348 /nfs/dbraw/zinc/96/23/48/1129962348.db2.gz RJUXIMCOXDMIFA-UHFFFAOYSA-N 0 1 284.494 3.952 20 0 CHADMN CCCC[C@@H](CC)CC[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000901888940 1129964831 /nfs/dbraw/zinc/96/48/31/1129964831.db2.gz UGWQANMJPTWNEG-KFWWJZLASA-N 0 1 269.429 3.636 20 0 CHADMN CC1=CCC[C@@H](C)[C@@H]1C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000901916987 1129966064 /nfs/dbraw/zinc/96/60/64/1129966064.db2.gz DZEUALRZGPNCRD-HPFXQQBRSA-N 0 1 291.435 3.556 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cccc(CC2CCC2)c1 ZINC000901979575 1129969258 /nfs/dbraw/zinc/96/92/58/1129969258.db2.gz BNJPTVXOORYMHL-UHFFFAOYSA-N 0 1 289.419 3.714 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000902009464 1129971265 /nfs/dbraw/zinc/97/12/65/1129971265.db2.gz FVGLNARUKYRNGU-CABCVRRESA-N 0 1 267.413 3.698 20 0 CHADMN CNc1ccc(C)cc1CN[C@@H](C)c1ccccc1OC ZINC000902035452 1129973079 /nfs/dbraw/zinc/97/30/79/1129973079.db2.gz OKZOWJXCASUWRO-AWEZNQCLSA-N 0 1 284.403 3.896 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1C[C@@H]1CC=CCC1 ZINC000902045695 1129974172 /nfs/dbraw/zinc/97/41/72/1129974172.db2.gz INFUVLPGQKQFAF-OIISXLGYSA-N 0 1 291.435 3.698 20 0 CHADMN CC[C@@H](NCc1cn(CC)cn1)c1ccc(Cl)cc1 ZINC000902054145 1129974994 /nfs/dbraw/zinc/97/49/94/1129974994.db2.gz RWBBKBWFXWAWMY-OAHLLOKOSA-N 0 1 277.799 3.797 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CNc1nccn1CC(C)C ZINC000902083963 1129978371 /nfs/dbraw/zinc/97/83/71/1129978371.db2.gz YDKKTVTXLKPCLA-UHFFFAOYSA-N 0 1 289.427 3.545 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H](C)c1ccnc(Cl)c1 ZINC000771388677 1129979338 /nfs/dbraw/zinc/97/93/38/1129979338.db2.gz OYCZXYKSADVPKV-RYUDHWBXSA-N 0 1 275.783 3.850 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H]2CCCc3nc(C)ncc32)c(C)n1 ZINC000771391543 1129979435 /nfs/dbraw/zinc/97/94/35/1129979435.db2.gz RUWXYTAAEVJHCG-DYVFJYSZSA-N 0 1 296.418 3.525 20 0 CHADMN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(CCF)C1 ZINC000746506432 1129980673 /nfs/dbraw/zinc/98/06/73/1129980673.db2.gz UUVMDTJOAUVIAI-CQSZACIVSA-N 0 1 289.398 3.766 20 0 CHADMN CCc1cc(OC)ccc1-c1cccn2cncc12 ZINC001242699979 1129983578 /nfs/dbraw/zinc/98/35/78/1129983578.db2.gz HYYKWAGINIPJLS-UHFFFAOYSA-N 0 1 252.317 3.572 20 0 CHADMN CCCC(C)=CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000771661328 1129986943 /nfs/dbraw/zinc/98/69/43/1129986943.db2.gz ZOYPXTMVPCGEOZ-KTKRTIGZSA-N 0 1 287.363 3.971 20 0 CHADMN CCn1cnc(CN[C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000902195414 1129987390 /nfs/dbraw/zinc/98/73/90/1129987390.db2.gz OEYYYIYRTVAUQQ-QGZVFWFLSA-N 0 1 287.382 3.673 20 0 CHADMN CNc1ccccc1CN[C@@H]1COc2c1ccc(C)c2C ZINC000902204306 1129988301 /nfs/dbraw/zinc/98/83/01/1129988301.db2.gz HBCYFLFABKJECP-QGZVFWFLSA-N 0 1 282.387 3.568 20 0 CHADMN CNc1ccc(C)cc1CN[C@@H](COC)c1ccccc1 ZINC000902244078 1129993129 /nfs/dbraw/zinc/99/31/29/1129993129.db2.gz XQBXVTXVIYWOAR-SFHVURJKSA-N 0 1 284.403 3.514 20 0 CHADMN Cc1cc([C@](C)(O)CNCc2cscc2Cl)c(C)o1 ZINC000771959275 1129998529 /nfs/dbraw/zinc/99/85/29/1129998529.db2.gz NWEXROATCOGXJF-CQSZACIVSA-N 0 1 299.823 3.609 20 0 CHADMN CN(C(=O)c1c(O)cccc1F)C1CCCCCCC1 ZINC000771990288 1129999716 /nfs/dbraw/zinc/99/97/16/1129999716.db2.gz DEHPXECPCZVAQL-UHFFFAOYSA-N 0 1 279.355 3.716 20 0 CHADMN Cc1cn[nH]c1CS[C@@H](C)c1nc2ccccc2o1 ZINC000902355397 1130002839 /nfs/dbraw/zinc/00/28/39/1130002839.db2.gz SMHVHBKIBUOSDP-JTQLQIEISA-N 0 1 273.361 3.854 20 0 CHADMN CCc1oc(C[N@@H+](C)[C@H]2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000902511265 1130018852 /nfs/dbraw/zinc/01/88/52/1130018852.db2.gz ISJIZAKKWHFDNE-RISCZKNCSA-N 0 1 279.380 3.551 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])c(CC)o1 ZINC000902521468 1130019649 /nfs/dbraw/zinc/01/96/49/1130019649.db2.gz PKHJIPMJXPUDBG-IUODEOHRSA-N 0 1 293.407 3.941 20 0 CHADMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902518572 1130020268 /nfs/dbraw/zinc/02/02/68/1130020268.db2.gz NTPPZAXEWDNTLG-GXTWGEPZSA-N 0 1 298.386 3.553 20 0 CHADMN CCCC1CCC([N@@H+](C)Cc2ccoc2C(=O)[O-])CC1 ZINC000902534602 1130021086 /nfs/dbraw/zinc/02/10/86/1130021086.db2.gz CVIIUXGXUAHSFI-UHFFFAOYSA-N 0 1 279.380 3.769 20 0 CHADMN C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000902529585 1130021150 /nfs/dbraw/zinc/02/11/50/1130021150.db2.gz KJRIIFZXARJWSM-LBPRGKRZSA-N 0 1 285.343 3.629 20 0 CHADMN CC(C)c1ccc(-c2ccc(N3CCN(C)CC3)cn2)cc1 ZINC001239627832 1130021733 /nfs/dbraw/zinc/02/17/33/1130021733.db2.gz YRNLVRCPZROTLX-UHFFFAOYSA-N 0 1 295.430 3.624 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCCC12CCCCC2 ZINC000902543996 1130022284 /nfs/dbraw/zinc/02/22/84/1130022284.db2.gz YOYSYLWPDNYNON-UHFFFAOYSA-N 0 1 277.364 3.585 20 0 CHADMN CCNc1ccccc1CNCc1cccc(C)c1OC ZINC000902615592 1130030785 /nfs/dbraw/zinc/03/07/85/1130030785.db2.gz FVQCLKSZATURTP-UHFFFAOYSA-N 0 1 284.403 3.725 20 0 CHADMN C[C@@H](Nc1ccc(CN(C)C)c(F)c1)[C@H]1CC1(C)C ZINC000785497361 1130036504 /nfs/dbraw/zinc/03/65/04/1130036504.db2.gz SGCUSARIACPFIZ-BXUZGUMPSA-N 0 1 264.388 3.734 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1cc(Cl)cs1 ZINC000785508535 1130036991 /nfs/dbraw/zinc/03/69/91/1130036991.db2.gz SDBUCVIJPRKCKU-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN Cc1oc2ccccc2c1CNCc1ccc(F)nc1C ZINC000785512591 1130038553 /nfs/dbraw/zinc/03/85/53/1130038553.db2.gz CWLKCKCBMOCMMC-UHFFFAOYSA-N 0 1 284.334 3.874 20 0 CHADMN Cc1cscc1CNCc1cnc(Cl)c(C)c1 ZINC000785522621 1130039531 /nfs/dbraw/zinc/03/95/31/1130039531.db2.gz QNQTVSNWTKAXFN-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN C[C@@H](COC(=O)c1cccc2[nH]ncc21)c1ccccc1 ZINC000785588517 1130040416 /nfs/dbraw/zinc/04/04/16/1130040416.db2.gz FCYVFPVQCXZUTA-LBPRGKRZSA-N 0 1 280.327 3.523 20 0 CHADMN CCC[C@@H](NCc1cccc(F)n1)c1ccsc1 ZINC000785567738 1130042758 /nfs/dbraw/zinc/04/27/58/1130042758.db2.gz PCYDKTVQRJUOQJ-CYBMUJFWSA-N 0 1 264.369 3.913 20 0 CHADMN COC(=O)c1ccc([C@H](C)N[C@@H](C)c2ccccn2)c(C)c1 ZINC000902721014 1130044007 /nfs/dbraw/zinc/04/40/07/1130044007.db2.gz SFGLYZOCDGHSFY-KBPBESRZSA-N 0 1 298.386 3.588 20 0 CHADMN O=C(Oc1cccc2ccccc21)c1ccc2cncn2c1 ZINC000785727823 1130051309 /nfs/dbraw/zinc/05/13/09/1130051309.db2.gz BTHYJEIUYHVQEG-UHFFFAOYSA-N 0 1 288.306 3.707 20 0 CHADMN COC(=O)c1ccc([C@H](C)NCc2ccoc2C)c(C)c1 ZINC000902771818 1130055480 /nfs/dbraw/zinc/05/54/80/1130055480.db2.gz LFRVCHKKJFXJIH-LBPRGKRZSA-N 0 1 287.359 3.534 20 0 CHADMN [O-]c1ccc(C[NH2+]Cc2cccc3cc[nH]c32)cc1Cl ZINC000786160329 1130081524 /nfs/dbraw/zinc/08/15/24/1130081524.db2.gz IRELFXCYVPTUPX-UHFFFAOYSA-N 0 1 286.762 3.817 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)OC/C=C\c1ccccc1 ZINC000786342518 1130087795 /nfs/dbraw/zinc/08/77/95/1130087795.db2.gz QBQQEIGXHFUIJG-YFHOEESVSA-N 0 1 284.359 3.712 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCC1CC=CC1 ZINC000772683482 1130090150 /nfs/dbraw/zinc/09/01/50/1130090150.db2.gz HJIXEJPCTMYBQL-UHFFFAOYSA-N 0 1 296.370 3.817 20 0 CHADMN COc1cccc(-c2cc(F)c3c(c2)CN(C)CC3)c1F ZINC001239753792 1130092761 /nfs/dbraw/zinc/09/27/61/1130092761.db2.gz VTUXGQORMRIACL-UHFFFAOYSA-N 0 1 289.325 3.628 20 0 CHADMN C[C@H](N[C@@H]1CC(C)(C)CCc2ccccc21)c1cn(C)nn1 ZINC000902980749 1130094943 /nfs/dbraw/zinc/09/49/43/1130094943.db2.gz BXPSTOQTFUBRDK-XJKSGUPXSA-N 0 1 298.434 3.570 20 0 CHADMN CCc1nc(OC)ccc1-c1ccc(F)c(CN(C)C)c1 ZINC001239779827 1130104674 /nfs/dbraw/zinc/10/46/74/1130104674.db2.gz UDJHZCSLDCGHLB-UHFFFAOYSA-N 0 1 288.366 3.520 20 0 CHADMN CC(=O)Nc1ccccc1-c1cccc(CN(C)C)c1F ZINC001239782476 1130106565 /nfs/dbraw/zinc/10/65/65/1130106565.db2.gz RTNNKBAHEOORTQ-UHFFFAOYSA-N 0 1 286.350 3.513 20 0 CHADMN CC(=O)OCc1cccc([C@@H](C)N[C@@H](C)c2ccccn2)c1 ZINC000903056393 1130107159 /nfs/dbraw/zinc/10/71/59/1130107159.db2.gz UDQNKOQJEGRXKE-KGLIPLIRSA-N 0 1 298.386 3.557 20 0 CHADMN Cc1cccc2c1[C@H](N[C@@H](C)CCCC(C)C)C(=O)N2 ZINC001170061335 1130110617 /nfs/dbraw/zinc/11/06/17/1130110617.db2.gz LUMQTKHPBBSFRA-BBRMVZONSA-N 0 1 274.408 3.793 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc(C)cc1C ZINC001239811931 1130119756 /nfs/dbraw/zinc/11/97/56/1130119756.db2.gz IIYHPAIHLRHEEE-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN Cc1ccc(-c2ccc(CCN3CCOCC3)cc2)cc1F ZINC001239823171 1130125111 /nfs/dbraw/zinc/12/51/11/1130125111.db2.gz OWHBUNCANHHEOH-UHFFFAOYSA-N 0 1 299.389 3.676 20 0 CHADMN Cc1ccc(-c2ccc(N3CCN(C)CC3)cc2)cc1F ZINC001239823251 1130125490 /nfs/dbraw/zinc/12/54/90/1130125490.db2.gz CULNKRQEZMIXSQ-UHFFFAOYSA-N 0 1 284.378 3.553 20 0 CHADMN Nc1ccnc(-c2ccccc2OCc2ccccc2)c1 ZINC001239829249 1130128949 /nfs/dbraw/zinc/12/89/49/1130128949.db2.gz AAONWPCXRWZKMZ-UHFFFAOYSA-N 0 1 276.339 3.910 20 0 CHADMN COc1ccc(-c2cccc(CN(C)C)c2F)c(C)c1 ZINC001239829696 1130129643 /nfs/dbraw/zinc/12/96/43/1130129643.db2.gz NGTVHGMICOPFDV-UHFFFAOYSA-N 0 1 273.351 3.871 20 0 CHADMN Cc1ccc(-c2cnn(CN(C)CCC3CC3)c2)cc1 ZINC000746637944 1130131690 /nfs/dbraw/zinc/13/16/90/1130131690.db2.gz SNERERMEUBWHCX-UHFFFAOYSA-N 0 1 269.392 3.548 20 0 CHADMN c1ccc([C@@H](N[C@H]2CCCc3cccnc32)C2CC2)nc1 ZINC000903226343 1130132122 /nfs/dbraw/zinc/13/21/22/1130132122.db2.gz LAPFFBIDSZPYTD-WMZOPIPTSA-N 0 1 279.387 3.595 20 0 CHADMN c1nc2c(ccnc2-c2cccnc2-c2ccccc2)[nH]1 ZINC001239865302 1130140679 /nfs/dbraw/zinc/14/06/79/1130140679.db2.gz YOFYWGJELHXDCF-UHFFFAOYSA-N 0 1 272.311 3.687 20 0 CHADMN C[C@H](CCC(F)(F)F)N[C@@H]1c2ccccc2OC[C@@H]1F ZINC000903273131 1130142631 /nfs/dbraw/zinc/14/26/31/1130142631.db2.gz UCQXDYVMPFTSBS-SUZMYJTESA-N 0 1 291.288 3.779 20 0 CHADMN Cc1c([C@H](C)N[C@@H](C)c2cncs2)cnn1C(C)(C)C ZINC000903310453 1130150737 /nfs/dbraw/zinc/15/07/37/1130150737.db2.gz JIGWXSIXQHXWDB-QWRGUYRKSA-N 0 1 292.452 3.815 20 0 CHADMN COCc1cccc(-c2ccc(F)c(CN(C)C)c2)c1 ZINC001239937168 1130159886 /nfs/dbraw/zinc/15/98/86/1130159886.db2.gz BCKVDDZPALQZSF-UHFFFAOYSA-N 0 1 273.351 3.701 20 0 CHADMN Oc1cccc2c1CCC[C@@H]2N[C@@H](c1ccccn1)C1CC1 ZINC000903335312 1130160711 /nfs/dbraw/zinc/16/07/11/1130160711.db2.gz NQQRBNQNWHJLMR-QFBILLFUSA-N 0 1 294.398 3.906 20 0 CHADMN C[C@@H](N[C@@H](c1ccccn1)C1CC1)c1ccnc(Cl)c1 ZINC000903340600 1130162226 /nfs/dbraw/zinc/16/22/26/1130162226.db2.gz RSEYPUDDFSNVOV-BDJLRTHQSA-N 0 1 287.794 3.932 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H](c1ccccn1)C1CC1 ZINC000903341462 1130162819 /nfs/dbraw/zinc/16/28/19/1130162819.db2.gz YMBOMNCGCWGCIS-GUYCJALGSA-N 0 1 267.376 3.587 20 0 CHADMN C[C@@H](N[C@H](c1ccccn1)C1CC1)c1cccc(O)c1 ZINC000903341081 1130163394 /nfs/dbraw/zinc/16/33/94/1130163394.db2.gz VVCFHDOVQKBOLQ-PXAZEXFGSA-N 0 1 268.360 3.589 20 0 CHADMN Cn1ccc2cc(-c3cc(F)c4c(c3)CN(C)CC4)ccc21 ZINC001239943609 1130163958 /nfs/dbraw/zinc/16/39/58/1130163958.db2.gz MEWACFROLWRGGU-UHFFFAOYSA-N 0 1 294.373 3.972 20 0 CHADMN Cc1[nH]ncc1[C@H](C)Nc1ccc(Cl)c(N(C)C)c1 ZINC000903357013 1130166246 /nfs/dbraw/zinc/16/62/46/1130166246.db2.gz IYUYAXHZGPLFLP-VIFPVBQESA-N 0 1 278.787 3.611 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1cncc2ccccc21 ZINC001239949169 1130167407 /nfs/dbraw/zinc/16/74/07/1130167407.db2.gz XTKMQIYGQKHXMM-UHFFFAOYSA-N 0 1 263.275 3.917 20 0 CHADMN Cc1cc([C@H](C)NCc2c(C)nc3ccccn32)oc1C ZINC000903420854 1130174274 /nfs/dbraw/zinc/17/42/74/1130174274.db2.gz DHVWQYAWWSDJEF-ZDUSSCGKSA-N 0 1 283.375 3.703 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@@H](c1ccncc1)C1CC1 ZINC000903429509 1130176381 /nfs/dbraw/zinc/17/63/81/1130176381.db2.gz VDDQCEOPTKLAJG-SCLBCKFNSA-N 0 1 281.403 3.841 20 0 CHADMN Clc1ccnc2c1CC[C@H]2N[C@@H](c1ccncc1)C1CC1 ZINC000903430598 1130176599 /nfs/dbraw/zinc/17/65/99/1130176599.db2.gz YPHMDMFCQDYFCF-HZPDHXFCSA-N 0 1 299.805 3.858 20 0 CHADMN FC(F)(F)c1cnc2c(c1)[C@@H](NC/C=C/Cl)CCC2 ZINC000903445106 1130177230 /nfs/dbraw/zinc/17/72/30/1130177230.db2.gz RRJKSDUASQJQED-DGXRNCNBSA-N 0 1 290.716 3.820 20 0 CHADMN CCCOc1ccc(-c2ccc3[nH]nnc3c2)c(F)c1F ZINC001239971226 1130179005 /nfs/dbraw/zinc/17/90/05/1130179005.db2.gz WUOWOFDFBLNWET-UHFFFAOYSA-N 0 1 289.285 3.692 20 0 CHADMN CCCOc1ccc(-c2ccc3nn[nH]c3c2)c(F)c1F ZINC001239971226 1130179009 /nfs/dbraw/zinc/17/90/09/1130179009.db2.gz WUOWOFDFBLNWET-UHFFFAOYSA-N 0 1 289.285 3.692 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)Cc1csc2ccccc12 ZINC000903596268 1130183226 /nfs/dbraw/zinc/18/32/26/1130183226.db2.gz STKRVONHBLCWNN-NHYWBVRUSA-N 0 1 291.416 3.832 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000903598750 1130183249 /nfs/dbraw/zinc/18/32/49/1130183249.db2.gz XWYOPBHGYXQMKE-ZNMIVQPWSA-N 0 1 281.440 3.778 20 0 CHADMN CCC[N@@H+](CCc1cccs1)[C@H](C(=O)[O-])[C@H](C)CC ZINC000903593986 1130183564 /nfs/dbraw/zinc/18/35/64/1130183564.db2.gz ASIJGPSODFELHL-OCCSQVGLSA-N 0 1 283.437 3.502 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000903594045 1130183692 /nfs/dbraw/zinc/18/36/92/1130183692.db2.gz BOWUAZKOKFSYHN-XOSAIJSUSA-N 0 1 289.419 3.611 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000903594432 1130183797 /nfs/dbraw/zinc/18/37/97/1130183797.db2.gz CDWWMHQIENMZTR-XIRDDKMYSA-N 0 1 289.419 3.755 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000903608248 1130184409 /nfs/dbraw/zinc/18/44/09/1130184409.db2.gz XOAUMSCETQSUOJ-CWRNSKLLSA-N 0 1 281.440 3.778 20 0 CHADMN C/C(=C\C[N@H+](CCCC(C)C)Cc1ccc(C)o1)C(=O)[O-] ZINC000903625641 1130184531 /nfs/dbraw/zinc/18/45/31/1130184531.db2.gz OHUPYNGJVRHUJA-NTEUORMPSA-N 0 1 293.407 3.857 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1CCCC2(CCCC2)CC1 ZINC000903602023 1130184977 /nfs/dbraw/zinc/18/49/77/1130184977.db2.gz LWELCTHRBBOZKM-ZIAGYGMSSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)C[N@@H+](CCC1CCCC1)CC(C)(C)C(=O)[O-] ZINC000903620921 1130185062 /nfs/dbraw/zinc/18/50/62/1130185062.db2.gz JBHXKABOQHRAOC-UHFFFAOYSA-N 0 1 269.429 3.636 20 0 CHADMN C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000903631601 1130185720 /nfs/dbraw/zinc/18/57/20/1130185720.db2.gz OZCURKVUMXXLJS-ZBFHGGJFSA-N 0 1 287.403 3.509 20 0 CHADMN C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000903632374 1130185885 /nfs/dbraw/zinc/18/58/85/1130185885.db2.gz XRRHLTJZXXFZPO-BBRMVZONSA-N 0 1 299.370 3.746 20 0 CHADMN COc1cc(F)ccc1-c1cccc2nc(C)[nH]c21 ZINC001239998015 1130185978 /nfs/dbraw/zinc/18/59/78/1130185978.db2.gz DXOYJZGDHUZDBB-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2CCC2(C(=O)[O-])CCC2)c1 ZINC000903697398 1130190141 /nfs/dbraw/zinc/19/01/41/1130190141.db2.gz TWIDSUAVCHFUBJ-INIZCTEOSA-N 0 1 287.403 3.777 20 0 CHADMN Cc1ccc([C@H](C)[N@@H+](C)CCC2(C(=O)[O-])CCC2)c(C)c1 ZINC000903696699 1130190202 /nfs/dbraw/zinc/19/02/02/1130190202.db2.gz MJUZSSMHNNZQOU-HNNXBMFYSA-N 0 1 289.419 3.941 20 0 CHADMN Cc1ccccc1[C@@H]1CCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903696769 1130190569 /nfs/dbraw/zinc/19/05/69/1130190569.db2.gz OASVUUSTRJBBII-INIZCTEOSA-N 0 1 287.403 3.777 20 0 CHADMN C[C@@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)[C@@H]2CCCC[C@@H]12 ZINC000903696300 1130190664 /nfs/dbraw/zinc/19/06/64/1130190664.db2.gz DWUVKKLFKPEDBE-QLFBSQMISA-N 0 1 279.424 3.532 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903696476 1130190669 /nfs/dbraw/zinc/19/06/69/1130190669.db2.gz XSYZFPVMEJHIEW-GOEBONIOSA-N 0 1 287.403 3.509 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC000903697679 1130190835 /nfs/dbraw/zinc/19/08/35/1130190835.db2.gz WZZFRZWFICBOTL-GFCCVEGCSA-N 0 1 295.810 3.978 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2CCC2(C(=O)[O-])CCC2)cc1 ZINC000903697708 1130191015 /nfs/dbraw/zinc/19/10/15/1130191015.db2.gz XVVVFKSWCPVADH-MRXNPFEDSA-N 0 1 287.403 3.777 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1ccc(C(=O)NC(C)C)cc1 ZINC001240023178 1130196207 /nfs/dbraw/zinc/19/62/07/1130196207.db2.gz JEUDSYDGPPKSIX-UHFFFAOYSA-N 0 1 293.370 3.677 20 0 CHADMN CCN(CC)C(=O)c1cccc(-c2ccc3nc[nH]c3c2)c1 ZINC001240052504 1130205331 /nfs/dbraw/zinc/20/53/31/1130205331.db2.gz UGODWQQOZQZSSA-UHFFFAOYSA-N 0 1 293.370 3.712 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000903888307 1130208272 /nfs/dbraw/zinc/20/82/72/1130208272.db2.gz YIOVOFOZSXGOMA-QGTPRVQTSA-N 0 1 295.382 3.697 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2cncc(C(=O)[O-])c2)CC1 ZINC000903895507 1130208330 /nfs/dbraw/zinc/20/83/30/1130208330.db2.gz GZTVBSJGZZUQFX-UHFFFAOYSA-N 0 1 290.407 3.572 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](C[C@@H]1C[C@H]1C(=O)[O-])CC1CCC1 ZINC000903894457 1130208510 /nfs/dbraw/zinc/20/85/10/1130208510.db2.gz XDKZLNDKXQAORJ-RRQGHBQHSA-N 0 1 287.403 3.570 20 0 CHADMN C[C@H](N[C@@H]1COCc2ccccc21)c1ccnc(Cl)c1 ZINC000788805015 1130208811 /nfs/dbraw/zinc/20/88/11/1130208811.db2.gz ZVDQEQOLIWNERL-XHDPSFHLSA-N 0 1 288.778 3.657 20 0 CHADMN CCC[C@H]1CCC[N@H+]([C@@H](CCc2ccccc2)C(=O)[O-])C1 ZINC000903894360 1130208818 /nfs/dbraw/zinc/20/88/18/1130208818.db2.gz UUVPEYCMIZYURC-IRXDYDNUSA-N 0 1 289.419 3.585 20 0 CHADMN C[C@@H](NCc1cc(F)c(Cl)cc1F)c1cc[nH]c(=O)c1 ZINC000788798249 1130209435 /nfs/dbraw/zinc/20/94/35/1130209435.db2.gz OXOVSZLEVWKCEH-MRVPVSSYSA-N 0 1 298.720 3.570 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1C(C)C ZINC000903901368 1130209727 /nfs/dbraw/zinc/20/97/27/1130209727.db2.gz HKFMTUFTFBEYPD-INIZCTEOSA-N 0 1 277.408 3.741 20 0 CHADMN CC(C)NC(=O)c1cccc(-c2cc3nc[nH]c3cc2F)c1 ZINC001240082691 1130210029 /nfs/dbraw/zinc/21/00/29/1130210029.db2.gz FKVCLFAMFMMKSA-UHFFFAOYSA-N 0 1 297.333 3.507 20 0 CHADMN CC(C)c1ccccc1C[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000903905167 1130210580 /nfs/dbraw/zinc/21/05/80/1130210580.db2.gz YQOMFOCLLRTJBO-SFHVURJKSA-N 0 1 289.419 3.743 20 0 CHADMN CCOC[C@H](N[C@H]1COCc2cccc(Cl)c21)C(C)C ZINC000788776209 1130210565 /nfs/dbraw/zinc/21/05/65/1130210565.db2.gz KZOZZYKGCOUDSZ-GJZGRUSLSA-N 0 1 297.826 3.562 20 0 CHADMN CC(C)CNC(=O)c1cccc(-c2cccc3nc[nH]c32)c1 ZINC001240089620 1130211960 /nfs/dbraw/zinc/21/19/60/1130211960.db2.gz APBOEOIHIGFEGI-UHFFFAOYSA-N 0 1 293.370 3.616 20 0 CHADMN Cc1ccc(C[N@@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]2C)cc1C ZINC000903948504 1130212029 /nfs/dbraw/zinc/21/20/29/1130212029.db2.gz FRBQTMRXQQTXCZ-HWMZRRJGSA-N 0 1 289.419 3.623 20 0 CHADMN CCc1cccc(C[N@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]2C)c1 ZINC000903954883 1130213170 /nfs/dbraw/zinc/21/31/70/1130213170.db2.gz ZVHOZOGZMVRXNE-QDEZUTFSSA-N 0 1 289.419 3.569 20 0 CHADMN Cc1ccc(C)c(C[N@@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC000903951690 1130213376 /nfs/dbraw/zinc/21/33/76/1130213376.db2.gz UXKLLRMKDBFHQU-IVSAIRAKSA-N 0 1 289.419 3.623 20 0 CHADMN Cc1cc2[nH]cnc2cc1-c1cnccc1Br ZINC001243063344 1130219319 /nfs/dbraw/zinc/21/93/19/1130219319.db2.gz YZODPUFZFFHVTH-UHFFFAOYSA-N 0 1 288.148 3.696 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3c(c2)CCCC3)[C@H](CC)CO1 ZINC001206569608 1130219755 /nfs/dbraw/zinc/21/97/55/1130219755.db2.gz XCIRFAAZBZSPHN-RTBURBONSA-N 0 1 287.447 3.955 20 0 CHADMN O=C(c1ccccc1)c1ccc(-c2ccc3[nH]nnc3c2)cc1 ZINC001240136732 1130222246 /nfs/dbraw/zinc/22/22/46/1130222246.db2.gz RLJHVSQOROEYPQ-UHFFFAOYSA-N 0 1 299.333 3.856 20 0 CHADMN O=C(c1ccccc1)c1ccc(-c2ccc3nn[nH]c3c2)cc1 ZINC001240136732 1130222249 /nfs/dbraw/zinc/22/22/49/1130222249.db2.gz RLJHVSQOROEYPQ-UHFFFAOYSA-N 0 1 299.333 3.856 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(Cl)nc1)c1cncs1 ZINC000788983915 1130222255 /nfs/dbraw/zinc/22/22/55/1130222255.db2.gz ONZHXQGHPZKWJJ-DTWKUNHWSA-N 0 1 267.785 3.603 20 0 CHADMN CC[C@@H](C)CN(CC)Cn1ccn(C(C)C)c1=S ZINC000748260794 1130225089 /nfs/dbraw/zinc/22/50/89/1130225089.db2.gz BRXPFZSLXDSFFP-CYBMUJFWSA-N 0 1 269.458 3.925 20 0 CHADMN Cc1cc(CN[C@H]2CCc3ccc(F)cc32)c(C)o1 ZINC000748269391 1130226352 /nfs/dbraw/zinc/22/63/52/1130226352.db2.gz MOJYQFJKRAFJJJ-INIZCTEOSA-N 0 1 259.324 3.813 20 0 CHADMN c1nc2cnc(-c3cccc(N4CCCCC4)c3)cc2[nH]1 ZINC001240249833 1130247416 /nfs/dbraw/zinc/24/74/16/1130247416.db2.gz IUQRAEGXVOQSLY-UHFFFAOYSA-N 0 1 278.359 3.615 20 0 CHADMN Cc1ccc([C@@H](O)CN2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000748834880 1130250487 /nfs/dbraw/zinc/25/04/87/1130250487.db2.gz XPCMFCLCBKYWPI-MSOLQXFVSA-N 0 1 285.362 3.615 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc(C(F)(F)F)nc1 ZINC001240268843 1130252821 /nfs/dbraw/zinc/25/28/21/1130252821.db2.gz RDEOYZUBVIHCNP-UHFFFAOYSA-N 0 1 293.248 3.652 20 0 CHADMN Cn1ncc2ccc(-c3cc(N4CCCCC4)ccn3)cc21 ZINC001240307337 1130259905 /nfs/dbraw/zinc/25/99/05/1130259905.db2.gz MFSSICMFZFFTNX-UHFFFAOYSA-N 0 1 292.386 3.626 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2ccc(Cl)nc2)c1 ZINC000749156239 1130269074 /nfs/dbraw/zinc/26/90/74/1130269074.db2.gz VNUATWNNWLCYBY-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CN(C)Cc1ccc(NC(=O)CCC2CCCC2)cc1F ZINC000749152752 1130269857 /nfs/dbraw/zinc/26/98/57/1130269857.db2.gz FPPCXHIUZKOJIL-UHFFFAOYSA-N 0 1 292.398 3.796 20 0 CHADMN COc1ccc(Cl)c(CN2CCCCC23CC3)c1 ZINC001137265209 1130271206 /nfs/dbraw/zinc/27/12/06/1130271206.db2.gz SZULRFCSXPPFKN-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN CCn1cc(CN(C)[C@@H]2CCc3c2cccc3Cl)cn1 ZINC000676889917 1130275221 /nfs/dbraw/zinc/27/52/21/1130275221.db2.gz XVWKLSNORAUCRN-MRXNPFEDSA-N 0 1 289.810 3.676 20 0 CHADMN Cc1nc2cc(NC[C@@H]3CC=CCC3)ccc2n1C ZINC000676904725 1130276501 /nfs/dbraw/zinc/27/65/01/1130276501.db2.gz RNWFDQIKZQUBNG-CYBMUJFWSA-N 0 1 255.365 3.650 20 0 CHADMN Cc1c(CN2CC[C@@H](C)C(F)(F)CC2)nc2ccccn12 ZINC001137267470 1130277564 /nfs/dbraw/zinc/27/75/64/1130277564.db2.gz BDYHWFIJYGEMKG-GFCCVEGCSA-N 0 1 293.361 3.510 20 0 CHADMN CCc1ccc(NC(=O)c2cc(-c3ccoc3)n[nH]2)cc1F ZINC000676957133 1130278948 /nfs/dbraw/zinc/27/89/48/1130278948.db2.gz IISRXCVLYMJFLZ-UHFFFAOYSA-N 0 1 299.305 3.624 20 0 CHADMN CC(C)n1cnc2cc(-c3cc4[nH]nnc4cc3F)ccc21 ZINC001240370238 1130281529 /nfs/dbraw/zinc/28/15/29/1130281529.db2.gz VFYLVOYBFYITEO-UHFFFAOYSA-N 0 1 295.321 3.695 20 0 CHADMN Cc1csc(CN2CC[C@H]3CCCO[C@@H]3C2)c1Cl ZINC001137287250 1130291646 /nfs/dbraw/zinc/29/16/46/1130291646.db2.gz DNHYLKKZPDGMOF-VXGBXAGGSA-N 0 1 285.840 3.711 20 0 CHADMN COC[C@H]1CCCCN1Cc1scc(C)c1Cl ZINC001137287701 1130296477 /nfs/dbraw/zinc/29/64/77/1130296477.db2.gz UOIIXMIKKBTKSU-LLVKDONJSA-N 0 1 273.829 3.711 20 0 CHADMN CC(C)CCn1cc(-c2cc3nc[nH]c3cc2F)cn1 ZINC001240420996 1130302264 /nfs/dbraw/zinc/30/22/64/1130302264.db2.gz MGWZPSDLMMDDIZ-UHFFFAOYSA-N 0 1 272.327 3.612 20 0 CHADMN Cc1noc(C)c1CCN1CCc2cc(F)ccc2[C@@H]1C ZINC000677378368 1130308522 /nfs/dbraw/zinc/30/85/22/1130308522.db2.gz LPBKVLSNWPLMPA-LBPRGKRZSA-N 0 1 288.366 3.592 20 0 CHADMN CC(C)(C)OC(=O)c1ccc(-c2cc3[nH]cnc3cn2)cc1 ZINC001240437169 1130312621 /nfs/dbraw/zinc/31/26/21/1130312621.db2.gz AKOIZTJYLOHDET-UHFFFAOYSA-N 0 1 295.342 3.580 20 0 CHADMN COc1ccc(F)c(F)c1-c1ccc(F)c(CN(C)C)c1 ZINC001240437517 1130312736 /nfs/dbraw/zinc/31/27/36/1130312736.db2.gz CKEPAPCZZXYSQA-UHFFFAOYSA-N 0 1 295.304 3.841 20 0 CHADMN CC(C)(C)OC(=O)c1ccc(-c2nccc3[nH]cnc32)cc1 ZINC001240437782 1130313264 /nfs/dbraw/zinc/31/32/64/1130313264.db2.gz XDEVSFFIQLLQEX-UHFFFAOYSA-N 0 1 295.342 3.580 20 0 CHADMN CC(C)(C)OC(=O)c1ccc(-c2[nH]ccc3ncnc2-3)cc1 ZINC001240437782 1130313271 /nfs/dbraw/zinc/31/32/71/1130313271.db2.gz XDEVSFFIQLLQEX-UHFFFAOYSA-N 0 1 295.342 3.580 20 0 CHADMN CC(C)(C)c1cnc(CNCCNc2ccccc2)s1 ZINC000790472324 1130315597 /nfs/dbraw/zinc/31/55/97/1130315597.db2.gz NLGXGRODRXNVMB-UHFFFAOYSA-N 0 1 289.448 3.642 20 0 CHADMN Cc1ccc2nc(-c3cnc(Cl)s3)[nH]c2c1C ZINC000587023917 1130320228 /nfs/dbraw/zinc/32/02/28/1130320228.db2.gz WYJDQUYVDSTVDO-UHFFFAOYSA-N 0 1 263.753 3.957 20 0 CHADMN Fc1ccc(CC2CN(Cc3ccccc3F)C2)cc1 ZINC000677701100 1130321599 /nfs/dbraw/zinc/32/15/99/1130321599.db2.gz YYUJUMTZFXNLPU-UHFFFAOYSA-N 0 1 273.326 3.639 20 0 CHADMN CC[C@H](C)CC(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000790629646 1130322435 /nfs/dbraw/zinc/32/24/35/1130322435.db2.gz BUQHHHGZFMCXRL-UWVGGRQHSA-N 0 1 293.798 3.830 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC2(CC2)CC1 ZINC000677716474 1130322608 /nfs/dbraw/zinc/32/26/08/1130322608.db2.gz GSTVIWVVIVSDHB-NSHDSACASA-N 0 1 251.320 3.902 20 0 CHADMN CCN(Cc1cnc2ccc(C)cn12)Cc1ccc(F)cc1 ZINC001137310016 1130322718 /nfs/dbraw/zinc/32/27/18/1130322718.db2.gz DQRQIHVBFNUGGL-UHFFFAOYSA-N 0 1 297.377 3.804 20 0 CHADMN Fc1ccc(CC2CN(Cc3ccc(F)cc3)C2)cc1 ZINC000677700388 1130322999 /nfs/dbraw/zinc/32/29/99/1130322999.db2.gz OGRIQYZEUNNJBW-UHFFFAOYSA-N 0 1 273.326 3.639 20 0 CHADMN Cc1ccc2ncc(CN3CCC[C@H]4CCCC[C@@H]43)n2c1 ZINC001137310388 1130323036 /nfs/dbraw/zinc/32/30/36/1130323036.db2.gz VJPJJFFJPGLLPT-WBVHZDCISA-N 0 1 283.419 3.797 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC2(CC2)CC1 ZINC000677717545 1130323564 /nfs/dbraw/zinc/32/35/64/1130323564.db2.gz JADDUQYJSSJBPB-LLVKDONJSA-N 0 1 251.320 3.902 20 0 CHADMN Cc1cc2cc(-c3ccc4nc[nH]c4c3C)cnc2[nH]1 ZINC001240482606 1130324604 /nfs/dbraw/zinc/32/46/04/1130324604.db2.gz BAVZEGBCARDNSV-UHFFFAOYSA-N 0 1 262.316 3.723 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CC[C@H](C(F)F)C1 ZINC000677731236 1130325326 /nfs/dbraw/zinc/32/53/26/1130325326.db2.gz FWKBOWDXCIBGIW-WPRPVWTQSA-N 0 1 261.262 3.613 20 0 CHADMN C[C@@H](c1ncc(-c2ccccc2)o1)N1CC[C@H](C(F)F)C1 ZINC000677735617 1130325785 /nfs/dbraw/zinc/32/57/85/1130325785.db2.gz FHSNSDTUVCBEMU-AAEUAGOBSA-N 0 1 292.329 3.990 20 0 CHADMN COc1cccc([C@@H](C)N[C@@H](C)c2cnc(C)s2)c1 ZINC000677753315 1130328993 /nfs/dbraw/zinc/32/89/93/1130328993.db2.gz FZLOBNIDUBJKOT-MNOVXSKESA-N 0 1 276.405 3.872 20 0 CHADMN c1cc2c(s1)C[N@@H+](CCN1CCCc3ccccc31)CC2 ZINC000677765951 1130330969 /nfs/dbraw/zinc/33/09/69/1130330969.db2.gz XNILBHQMBRUJPC-UHFFFAOYSA-N 0 1 298.455 3.559 20 0 CHADMN Cc1ccc2c(n1)N(CC1CC1)CCN([C@H]1CC[C@H](C)C1)C2 ZINC001170144475 1130332265 /nfs/dbraw/zinc/33/22/65/1130332265.db2.gz KAAFUSAJMAWAMM-KSSFIOAISA-N 0 1 299.462 3.611 20 0 CHADMN Cc1nc(CCN2CCc3cc(F)ccc3[C@H]2C)cs1 ZINC000678076655 1130346896 /nfs/dbraw/zinc/34/68/96/1130346896.db2.gz ACEYMXWEPLBEIR-LLVKDONJSA-N 0 1 290.407 3.752 20 0 CHADMN Cc1occc1CNCc1ccc(C)c(Br)c1 ZINC000678073262 1130347085 /nfs/dbraw/zinc/34/70/85/1130347085.db2.gz OYRNKHOTFABDIT-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C=Cc1ccccc1 ZINC000791051255 1130348089 /nfs/dbraw/zinc/34/80/89/1130348089.db2.gz GJZUQQJKTDYXCA-FPLPWBNLSA-N 0 1 277.327 3.523 20 0 CHADMN Cc1cc(C)c(CN2CCC(C(=O)c3ccccc3)CC2)[nH]1 ZINC001137321458 1130350267 /nfs/dbraw/zinc/35/02/67/1130350267.db2.gz MXFQOTSQIPRETM-UHFFFAOYSA-N 0 1 296.414 3.726 20 0 CHADMN OCCN(Cc1cscc1Cl)C1CCCCC1 ZINC000678118840 1130351665 /nfs/dbraw/zinc/35/16/65/1130351665.db2.gz YILSYTWJJQZZLR-UHFFFAOYSA-N 0 1 273.829 3.529 20 0 CHADMN CC[N@H+](Cc1n[nH]c2ccccc21)Cc1ccccc1 ZINC000678121204 1130352070 /nfs/dbraw/zinc/35/20/70/1130352070.db2.gz WSYUEPFDNHDZIG-UHFFFAOYSA-N 0 1 265.360 3.585 20 0 CHADMN CC[N@@H+](Cc1n[nH]c2ccccc21)Cc1ccccc1 ZINC000678121204 1130352076 /nfs/dbraw/zinc/35/20/76/1130352076.db2.gz WSYUEPFDNHDZIG-UHFFFAOYSA-N 0 1 265.360 3.585 20 0 CHADMN c1[nH]nc2cc(-c3cc(N4CCCCC4)ccn3)ccc12 ZINC001240554050 1130354846 /nfs/dbraw/zinc/35/48/46/1130354846.db2.gz IQBXPCRTTASQDZ-UHFFFAOYSA-N 0 1 278.359 3.615 20 0 CHADMN CN(Cc1cn2cccc(F)c2n1)[C@H]1CCc2ccccc21 ZINC000678131842 1130354790 /nfs/dbraw/zinc/35/47/90/1130354790.db2.gz PVLZGPOWOVCSLP-KRWDZBQOSA-N 0 1 295.361 3.593 20 0 CHADMN C[C@H](OC(=O)c1c(F)cc(O)cc1F)c1cccc(F)c1 ZINC000746988648 1130357557 /nfs/dbraw/zinc/35/75/57/1130357557.db2.gz ZJBPMTWRUINAGL-QMMMGPOBSA-N 0 1 296.244 3.728 20 0 CHADMN Cn1ccc2c1ccnc2-c1cccc(-c2cc[nH]n2)c1 ZINC001240561039 1130359072 /nfs/dbraw/zinc/35/90/72/1130359072.db2.gz VHWWNOPDXBOSSX-UHFFFAOYSA-N 0 1 274.327 3.630 20 0 CHADMN C[C@@H]1c2ccccc2OCCN1Cc1ccc2[nH]cnc2c1 ZINC000678197144 1130368799 /nfs/dbraw/zinc/36/87/99/1130368799.db2.gz ULAUJVCGUJZWJD-CYBMUJFWSA-N 0 1 293.370 3.519 20 0 CHADMN C[C@@H]1c2ccccc2OCCN1Cc1ccc2nc[nH]c2c1 ZINC000678197144 1130368802 /nfs/dbraw/zinc/36/88/02/1130368802.db2.gz ULAUJVCGUJZWJD-CYBMUJFWSA-N 0 1 293.370 3.519 20 0 CHADMN CCN(C/C=C/c1ccc(F)cc1)Cc1ccoc1 ZINC000678234010 1130375451 /nfs/dbraw/zinc/37/54/51/1130375451.db2.gz NJSGYUKTDRUSLJ-ONEGZZNKSA-N 0 1 259.324 3.954 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cc(C)cc(F)c1 ZINC001240594220 1130378405 /nfs/dbraw/zinc/37/84/05/1130378405.db2.gz LHOJTNBVXNTGLR-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CCN(Cc1ccccn1)Cc1nccc2ccccc21 ZINC000678260384 1130380578 /nfs/dbraw/zinc/38/05/78/1130380578.db2.gz GEPHUEHZDWUIIW-UHFFFAOYSA-N 0 1 277.371 3.652 20 0 CHADMN CNc1ncc2cc(-c3cccc4nc(C)[nH]c43)ccc2n1 ZINC001240600302 1130381998 /nfs/dbraw/zinc/38/19/98/1130381998.db2.gz AVZFDAKRTYNYFU-UHFFFAOYSA-N 0 1 289.342 3.523 20 0 CHADMN C[C@H]1C[C@H](C)N1Cc1cc(Cl)nc2ccccc12 ZINC000791567799 1130385529 /nfs/dbraw/zinc/38/55/29/1130385529.db2.gz MCYSNKZJZRUBLP-QWRGUYRKSA-N 0 1 260.768 3.871 20 0 CHADMN CO[C@@H](C)CN(Cc1cscc1Cl)C(C)C ZINC000678277340 1130388657 /nfs/dbraw/zinc/38/86/57/1130388657.db2.gz SQCYUAAXEJIPCT-JTQLQIEISA-N 0 1 261.818 3.647 20 0 CHADMN CC[C@H](C[N@H+]1CCO[C@@H](c2ccco2)C1)c1ccccc1 ZINC000678294499 1130394029 /nfs/dbraw/zinc/39/40/29/1130394029.db2.gz JYBBGWRWBOXWID-CRAIPNDOSA-N 0 1 285.387 3.847 20 0 CHADMN CC[C@H](CN1CCO[C@@H](c2ccco2)C1)c1ccccc1 ZINC000678294499 1130394035 /nfs/dbraw/zinc/39/40/35/1130394035.db2.gz JYBBGWRWBOXWID-CRAIPNDOSA-N 0 1 285.387 3.847 20 0 CHADMN Cc1occc1CN[C@H](C)c1ccccc1N(C)C ZINC000678303988 1130395888 /nfs/dbraw/zinc/39/58/88/1130395888.db2.gz WIOKVNHVWJDEHA-GFCCVEGCSA-N 0 1 258.365 3.505 20 0 CHADMN c1nc(C2CCC2)sc1CN1[C@H]2C=CC[C@@H]1CC2 ZINC000678341931 1130402307 /nfs/dbraw/zinc/40/23/07/1130402307.db2.gz KTELPOZONHJYRO-QWHCGFSZSA-N 0 1 260.406 3.704 20 0 CHADMN CC(C)=C[C@H]1[C@@H](C(=O)Nc2c(C)n[nH]c2C(F)F)C1(C)C ZINC000678346442 1130403139 /nfs/dbraw/zinc/40/31/39/1130403139.db2.gz CZWRZDYOMUQDGS-UWVGGRQHSA-N 0 1 297.349 3.833 20 0 CHADMN CN(Cc1cnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000678349020 1130405139 /nfs/dbraw/zinc/40/51/39/1130405139.db2.gz GFXXRUUODHRQHS-UHFFFAOYSA-N 0 1 263.344 3.713 20 0 CHADMN COc1cc(-c2ccc3nc(C)[nH]c3c2)cc(F)c1F ZINC001240661772 1130407402 /nfs/dbraw/zinc/40/74/02/1130407402.db2.gz OLRXXROATUFLLG-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1c[nH]c(-c2ccccc2)n1 ZINC000678363024 1130408962 /nfs/dbraw/zinc/40/89/62/1130408962.db2.gz XBLUGZGKSBKVDY-AWEZNQCLSA-N 0 1 292.386 3.631 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1cnc(-c2ccccc2)[nH]1 ZINC000678363024 1130408969 /nfs/dbraw/zinc/40/89/69/1130408969.db2.gz XBLUGZGKSBKVDY-AWEZNQCLSA-N 0 1 292.386 3.631 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccccc2F)c(C)n1 ZINC000678411880 1130412326 /nfs/dbraw/zinc/41/23/26/1130412326.db2.gz MGOTYBHUXPZEFQ-LBPRGKRZSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc(F)c(F)c2)c(C)n1 ZINC000678414555 1130412890 /nfs/dbraw/zinc/41/28/90/1130412890.db2.gz UKYRGKAEJUTZAU-NSHDSACASA-N 0 1 276.330 3.827 20 0 CHADMN c1nn([C@@H]2CCCCO2)cc1-c1ccc(C2=NCCC2)cc1 ZINC001240677229 1130413938 /nfs/dbraw/zinc/41/39/38/1130413938.db2.gz YYPIAOMVQVABMK-SFHVURJKSA-N 0 1 295.386 3.832 20 0 CHADMN COc1cccc2c1OCC[C@H]2N[C@H](C)c1cnccc1C ZINC000678425856 1130415139 /nfs/dbraw/zinc/41/51/39/1130415139.db2.gz CWTXUCDDYNABQV-CZUORRHYSA-N 0 1 298.386 3.573 20 0 CHADMN Cc1cccn2cc(CN3CC[C@H](C)C4(CCC4)C3)nc12 ZINC000678469461 1130420003 /nfs/dbraw/zinc/42/00/03/1130420003.db2.gz ZMMRDCUMFYFLIF-HNNXBMFYSA-N 0 1 283.419 3.655 20 0 CHADMN CC(C)[C@@H]1C[C@@H](Nc2ccnc3cc(F)ccc32)CCO1 ZINC000678483927 1130420250 /nfs/dbraw/zinc/42/02/50/1130420250.db2.gz JGGTXCHTAXDIQN-GUYCJALGSA-N 0 1 288.366 3.989 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H](C)c1cccc(O)c1 ZINC000678543431 1130426175 /nfs/dbraw/zinc/42/61/75/1130426175.db2.gz CHOMSMSRNPXYOX-STQMWFEESA-N 0 1 256.349 3.507 20 0 CHADMN CCc1ccccc1NC(=O)CN[C@H](C)c1ccsc1 ZINC000678580972 1130431110 /nfs/dbraw/zinc/43/11/10/1130431110.db2.gz KLSPUGWFIRXVIX-GFCCVEGCSA-N 0 1 288.416 3.600 20 0 CHADMN c1cn(-c2ccccc2)c(CN2CCCCCCC2)n1 ZINC000792157350 1130433932 /nfs/dbraw/zinc/43/39/32/1130433932.db2.gz UWYHYUHNFKWWSF-UHFFFAOYSA-N 0 1 269.392 3.638 20 0 CHADMN c1oc(C2CC2)nc1CN1CC[C@H](C2CCCCC2)C1 ZINC000827125005 1130442281 /nfs/dbraw/zinc/44/22/81/1130442281.db2.gz GPNDURQJOJYVCO-HNNXBMFYSA-N 0 1 274.408 3.954 20 0 CHADMN Fc1ccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c(F)c1 ZINC000678637445 1130443152 /nfs/dbraw/zinc/44/31/52/1130443152.db2.gz IBLURMYHQNNJGU-KGLIPLIRSA-N 0 1 295.373 3.603 20 0 CHADMN Fc1ccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c(F)c1 ZINC000678637445 1130443157 /nfs/dbraw/zinc/44/31/57/1130443157.db2.gz IBLURMYHQNNJGU-KGLIPLIRSA-N 0 1 295.373 3.603 20 0 CHADMN CCOC(=O)c1nc2ccc(-c3cccc(F)c3C)cc2[nH]1 ZINC001240732170 1130444740 /nfs/dbraw/zinc/44/47/40/1130444740.db2.gz HDBIBKIMHMQBNP-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1NCc1cn2ccsc2n1 ZINC000678767457 1130451085 /nfs/dbraw/zinc/45/10/85/1130451085.db2.gz KKOLYYNULAJWFB-MLGOLLRUSA-N 0 1 297.427 3.809 20 0 CHADMN CC(C)n1ccc(CN[C@@H]2c3ccccc3CC[C@@H]2C)n1 ZINC000678771770 1130452150 /nfs/dbraw/zinc/45/21/50/1130452150.db2.gz YXWFGLVEUWLWRL-KSSFIOAISA-N 0 1 283.419 3.877 20 0 CHADMN CC[C@H]1C[C@@H](N2CCc3c4ccccc4oc3C2)CCO1 ZINC001170233550 1130462935 /nfs/dbraw/zinc/46/29/35/1130462935.db2.gz HBLDETMLZIOTNE-KBPBESRZSA-N 0 1 285.387 3.749 20 0 CHADMN C[C@H](CCc1ccccc1)CN1CCO[C@@H](c2ccco2)C1 ZINC000678839988 1130464186 /nfs/dbraw/zinc/46/41/86/1130464186.db2.gz JDVLEFLKFZDBJM-VQIMIIECSA-N 0 1 299.414 3.922 20 0 CHADMN Cn1cc(CN2C3CCCC2CCC3)c(C(C)(C)C)n1 ZINC000678837999 1130464437 /nfs/dbraw/zinc/46/44/37/1130464437.db2.gz OKEYJZJGGWETHW-UHFFFAOYSA-N 0 1 275.440 3.625 20 0 CHADMN CC[C@@H](NCc1nc(C(C)C)no1)C1CCCCC1 ZINC000678897022 1130469711 /nfs/dbraw/zinc/46/97/11/1130469711.db2.gz RJIUPCYDKHZNCB-CYBMUJFWSA-N 0 1 265.401 3.642 20 0 CHADMN C[C@H](Cc1ccccc1Cl)n1c2ccccc2nc1CN ZINC001170248504 1130473135 /nfs/dbraw/zinc/47/31/35/1130473135.db2.gz SJFZHALXPMPPCR-GFCCVEGCSA-N 0 1 299.805 3.952 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)N1CCc2occc2C1 ZINC001170286614 1130479217 /nfs/dbraw/zinc/47/92/17/1130479217.db2.gz CWYSQLFQGMMBNF-LBPRGKRZSA-N 0 1 275.779 3.922 20 0 CHADMN COc1ccc2c(c1)CN([C@@H]1CCc3ccccc31)CCO2 ZINC001170357818 1130484838 /nfs/dbraw/zinc/48/48/38/1130484838.db2.gz GCWSXPGDMAPGNZ-GOSISDBHSA-N 0 1 295.382 3.577 20 0 CHADMN CCn1cc([C@H](C)NC2(c3ccc(F)cc3)CCC2)cn1 ZINC000679016476 1130485233 /nfs/dbraw/zinc/48/52/33/1130485233.db2.gz OWRFMPATGUZORS-ZDUSSCGKSA-N 0 1 287.382 3.772 20 0 CHADMN COc1ccccc1C(C)(C)N[C@H](C)c1cnc(C)nc1C ZINC000679029004 1130486453 /nfs/dbraw/zinc/48/64/53/1130486453.db2.gz FQAPLCVLFMLYJM-CYBMUJFWSA-N 0 1 299.418 3.688 20 0 CHADMN C[C@@H](CC12CC3CC(CC(C3)C1)C2)NCc1cocn1 ZINC000679051036 1130487552 /nfs/dbraw/zinc/48/75/52/1130487552.db2.gz VHFWBULQZWDOSC-ORVZXPRGSA-N 0 1 274.408 3.759 20 0 CHADMN C[C@@H](CCc1ccc(Cl)s1)NCc1cocn1 ZINC000679051408 1130488533 /nfs/dbraw/zinc/48/85/33/1130488533.db2.gz WLQDDFUNXOUISB-VIFPVBQESA-N 0 1 270.785 3.500 20 0 CHADMN Cc1ccc(C)c(-c2ccc(N3CCN(C)CC3)cc2)c1 ZINC001240852039 1130493395 /nfs/dbraw/zinc/49/33/95/1130493395.db2.gz KDOGXAKUCOGBKB-UHFFFAOYSA-N 0 1 280.415 3.722 20 0 CHADMN CCC[C@@H](Nc1cnn(-c2ccncc2)c1)c1ccccn1 ZINC000679127287 1130495338 /nfs/dbraw/zinc/49/53/38/1130495338.db2.gz LCNCMYKLCWZKFH-QGZVFWFLSA-N 0 1 293.374 3.616 20 0 CHADMN CC(C)=CCC[C@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000679128797 1130496371 /nfs/dbraw/zinc/49/63/71/1130496371.db2.gz YMIYHHMOPQJMMS-AWEZNQCLSA-N 0 1 270.380 3.814 20 0 CHADMN O[C@@H](C[C@H]1CCCCC[N@H+]1CC1(F)CC1)c1cccs1 ZINC000792843388 1130502916 /nfs/dbraw/zinc/50/29/16/1130502916.db2.gz NCHQMZWQHXXPAN-KGLIPLIRSA-N 0 1 297.439 3.918 20 0 CHADMN CC(C)n1nccc1CNC(C)(C)c1ccc(F)cc1 ZINC000792955793 1130510177 /nfs/dbraw/zinc/51/01/77/1130510177.db2.gz IONGDLPXBPZSEP-UHFFFAOYSA-N 0 1 275.371 3.628 20 0 CHADMN FC(F)(F)c1cccc(CCCCNCc2ccon2)c1 ZINC000793001135 1130511678 /nfs/dbraw/zinc/51/16/78/1130511678.db2.gz NNGVWKTTYCKKSW-UHFFFAOYSA-N 0 1 298.308 3.806 20 0 CHADMN CC(C)[C@H]1N(C[C@H](O)c2c(F)cccc2F)CC12CCC2 ZINC000793005882 1130512435 /nfs/dbraw/zinc/51/24/35/1130512435.db2.gz ZWKVGMONPLNRMF-GOEBONIOSA-N 0 1 295.373 3.509 20 0 CHADMN Clc1cc2cccnc2c(CN2CC=CCC2)c1 ZINC000679322233 1130512715 /nfs/dbraw/zinc/51/27/15/1130512715.db2.gz WQVPKWNTAPRTEK-UHFFFAOYSA-N 0 1 258.752 3.650 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@@H](C)c1ccccc1OC(C)C ZINC000679334055 1130515424 /nfs/dbraw/zinc/51/54/24/1130515424.db2.gz GDYLKCNHQFTRGG-QWHCGFSZSA-N 0 1 287.407 3.917 20 0 CHADMN CC(C)(C)c1ccc(CN2CCc3ccccc3C2)[nH]1 ZINC001137370819 1130519851 /nfs/dbraw/zinc/51/98/51/1130519851.db2.gz QYISLZJVYCIVOO-UHFFFAOYSA-N 0 1 268.404 3.871 20 0 CHADMN CC(C)(C)c1ccc(CN2CC[C@H](F)C(F)(F)CC2)[nH]1 ZINC001137371003 1130522104 /nfs/dbraw/zinc/52/21/04/1130522104.db2.gz WKQWIZQTDGXBDX-LBPRGKRZSA-N 0 1 288.357 3.881 20 0 CHADMN Cc1ccccc1[C@@H]1CN(Cc2ccc(O)cc2)[C@H](C)CO1 ZINC000679393946 1130526342 /nfs/dbraw/zinc/52/63/42/1130526342.db2.gz YEAKNRQXJJXXSB-BEFAXECRSA-N 0 1 297.398 3.663 20 0 CHADMN Oc1ccc(CNCc2ccccc2OC2CCC2)cc1 ZINC000679394703 1130527202 /nfs/dbraw/zinc/52/72/02/1130527202.db2.gz OESWRMQSFABLJR-UHFFFAOYSA-N 0 1 283.371 3.613 20 0 CHADMN Cc1ccc([C@H]2CSCCN2Cc2ccc(O)cc2)cc1 ZINC000679394064 1130527766 /nfs/dbraw/zinc/52/77/66/1130527766.db2.gz ZGXGJURJYBJCPT-GOSISDBHSA-N 0 1 299.439 3.991 20 0 CHADMN COCc1ccc(-c2cc(F)c3c(c2)CN(C)CC3)cc1 ZINC001240954698 1130533742 /nfs/dbraw/zinc/53/37/42/1130533742.db2.gz RSKGJLOLFOJKNU-UHFFFAOYSA-N 0 1 285.362 3.627 20 0 CHADMN Cc1nc(C)c(CN2C[C@@H](C(F)(F)F)CC[C@H]2C)s1 ZINC000679543200 1130537807 /nfs/dbraw/zinc/53/78/07/1130537807.db2.gz UKMLAUOAMHCBEC-KCJUWKMLSA-N 0 1 292.370 3.923 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000679536933 1130537860 /nfs/dbraw/zinc/53/78/60/1130537860.db2.gz QWHWGJZYRSRABO-UONOGXRCSA-N 0 1 295.373 3.603 20 0 CHADMN Cc1cccc(CN2C[C@H](C(F)(F)F)CC[C@H]2C)n1 ZINC000679543864 1130538590 /nfs/dbraw/zinc/53/85/90/1130538590.db2.gz FQAJTNSVPGKDOB-VXGBXAGGSA-N 0 1 272.314 3.553 20 0 CHADMN COc1ccccc1CN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679584059 1130544565 /nfs/dbraw/zinc/54/45/65/1130544565.db2.gz KFFFRXGAUYLQCI-WCQYABFASA-N 0 1 287.325 3.858 20 0 CHADMN FC(F)COc1ccc(CN2CCC(F)(F)CC2)cc1 ZINC000793360455 1130544835 /nfs/dbraw/zinc/54/48/35/1130544835.db2.gz VKMXHLUREUPDOJ-UHFFFAOYSA-N 0 1 291.288 3.562 20 0 CHADMN Cc1cccc(-c2n[nH]cc2CN2CCC(F)(F)CC2)c1 ZINC000793358779 1130544910 /nfs/dbraw/zinc/54/49/10/1130544910.db2.gz ICBBUWKAKWXOGE-UHFFFAOYSA-N 0 1 291.345 3.616 20 0 CHADMN Fc1cc2cccnc2c(CN2CCC(F)(F)CC2)c1 ZINC000793362268 1130545791 /nfs/dbraw/zinc/54/57/91/1130545791.db2.gz PMXKUJIBAKSQPX-UHFFFAOYSA-N 0 1 280.293 3.605 20 0 CHADMN CCC[C@@H](NC1CSC1)c1ccc(F)cc1F ZINC000679627695 1130547736 /nfs/dbraw/zinc/54/77/36/1130547736.db2.gz SJDUUYDNYCXUIP-CYBMUJFWSA-N 0 1 257.349 3.511 20 0 CHADMN Fc1ccc([C@@H](CC(F)(F)F)NC2CSC2)cc1 ZINC000679626021 1130547811 /nfs/dbraw/zinc/54/78/11/1130547811.db2.gz LVRLZWXRXFKKBL-LLVKDONJSA-N 0 1 279.302 3.524 20 0 CHADMN Cc1ccc(Br)c(CN(C)C(C)(C)C)c1 ZINC001137384463 1130549744 /nfs/dbraw/zinc/54/97/44/1130549744.db2.gz FOVCPVPFYXTZKY-UHFFFAOYSA-N 0 1 270.214 3.988 20 0 CHADMN O[C@@H](CN(Cc1ccccc1)[C@@H]1C=CCCC1)C(F)(F)F ZINC000679675210 1130550892 /nfs/dbraw/zinc/55/08/92/1130550892.db2.gz HLSIAAKKEMOGBS-CABCVRRESA-N 0 1 299.336 3.521 20 0 CHADMN Cc1cc(-c2ccc(F)c(F)c2F)cc2nc[nH]c21 ZINC001240989530 1130554444 /nfs/dbraw/zinc/55/44/44/1130554444.db2.gz KNQSKJLGKNLXCE-UHFFFAOYSA-N 0 1 262.234 3.956 20 0 CHADMN Cc1ccc(CC2CN(Cc3ccc(F)nc3C)C2)cc1 ZINC000827321630 1130557360 /nfs/dbraw/zinc/55/73/60/1130557360.db2.gz QNCQGSOASIUSTQ-UHFFFAOYSA-N 0 1 284.378 3.512 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cc(C)nn1C)c1ccccc1OC ZINC000793528344 1130561428 /nfs/dbraw/zinc/56/14/28/1130561428.db2.gz XBSRPJUGKGDABB-DZGCQCFKSA-N 0 1 287.407 3.539 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(C(C)(C)C)cc2)n(C)n1 ZINC000793522162 1130561797 /nfs/dbraw/zinc/56/17/97/1130561797.db2.gz ABQPLOXFJYAAND-CQSZACIVSA-N 0 1 285.435 3.877 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(C(C)(C)C)cc2)n(C)n1 ZINC000793522160 1130562482 /nfs/dbraw/zinc/56/24/82/1130562482.db2.gz ABQPLOXFJYAAND-AWEZNQCLSA-N 0 1 285.435 3.877 20 0 CHADMN Cc1ccc(C(=O)[O-])cc1-c1ccc([C@H]2CC[N@H+](C)C2)cc1 ZINC001241005457 1130562499 /nfs/dbraw/zinc/56/24/99/1130562499.db2.gz ONICBFQPTRIXGW-KRWDZBQOSA-N 0 1 295.382 3.779 20 0 CHADMN CC(C)[C@H]1COCCN1Cc1cccc(-c2ccncc2)c1 ZINC001137393773 1130566641 /nfs/dbraw/zinc/56/66/41/1130566641.db2.gz IEWMEJSULMCIMH-LJQANCHMSA-N 0 1 296.414 3.605 20 0 CHADMN CC[C@H](OC(=O)[C@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000758138429 1130600840 /nfs/dbraw/zinc/60/08/40/1130600840.db2.gz OXZTVJXVMBPFNX-BBRMVZONSA-N 0 1 284.359 3.524 20 0 CHADMN CN(C)c1ccnc(Cl)c1CN1CCC2(CCCC2)C1 ZINC001234134702 1130611408 /nfs/dbraw/zinc/61/14/08/1130611408.db2.gz YUPDSWOPEVQZHD-UHFFFAOYSA-N 0 1 293.842 3.567 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1c(CC)nn(C)c1Cl ZINC000811520068 1130616002 /nfs/dbraw/zinc/61/60/02/1130616002.db2.gz JHEQZQBENXMGPR-LLVKDONJSA-N 0 1 271.836 3.646 20 0 CHADMN CCC(=CC(=O)Nc1ccc(CN(C)C)c(F)c1)CC ZINC000759242155 1130645736 /nfs/dbraw/zinc/64/57/36/1130645736.db2.gz XPAKSWRQCUHRGX-UHFFFAOYSA-N 0 1 278.371 3.572 20 0 CHADMN Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2c2ccccc2)[nH]1 ZINC001234602015 1130660487 /nfs/dbraw/zinc/66/04/87/1130660487.db2.gz VMIBISWZZQGIGY-QGZVFWFLSA-N 0 1 269.392 3.754 20 0 CHADMN COc1ccc(CN2CC[C@](C)(CF)C2)c(OC(C)C)c1 ZINC001234689115 1130672113 /nfs/dbraw/zinc/67/21/13/1130672113.db2.gz PEOWHHAMGLNIHC-QGZVFWFLSA-N 0 1 295.398 3.664 20 0 CHADMN C[C@@H](N[C@H]1CCc2cc(F)cc(F)c2C1)c1cscn1 ZINC001170666916 1130672828 /nfs/dbraw/zinc/67/28/28/1130672828.db2.gz RNHXIPOBBJILAS-SKDRFNHKSA-N 0 1 294.370 3.629 20 0 CHADMN CCOC(=O)c1cc(C[N@H+]2CCC[C@H]2c2ccccc2)c[nH]1 ZINC001234945523 1130695408 /nfs/dbraw/zinc/69/54/08/1130695408.db2.gz FFXREZDHJDWPKK-KRWDZBQOSA-N 0 1 298.386 3.529 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1cnc(Br)s1 ZINC001244907030 1130697459 /nfs/dbraw/zinc/69/74/59/1130697459.db2.gz BUEKFTXEAVQNFL-UHFFFAOYSA-N 0 1 298.140 3.588 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)/C=C2/CC[C@H](C)C2)c1 ZINC000812706733 1130707317 /nfs/dbraw/zinc/70/73/17/1130707317.db2.gz YEHBJNZEOJRJBV-AWPPVZKDSA-N 0 1 287.359 3.670 20 0 CHADMN CCc1noc(C)c1[C@@H](C)Nc1cc2c(cn1)CCCC2 ZINC000812741099 1130710273 /nfs/dbraw/zinc/71/02/73/1130710273.db2.gz QPTHKDVDXNABFB-LLVKDONJSA-N 0 1 285.391 3.992 20 0 CHADMN CC[C@H](C(=O)OCc1ccccc1SC)N(CC)CC ZINC000781243820 1130711600 /nfs/dbraw/zinc/71/16/00/1130711600.db2.gz MEBKRALIACXZHV-CQSZACIVSA-N 0 1 295.448 3.572 20 0 CHADMN CCC[C@@H](CNCc1nc2c(s1)C[C@H](C)CC2)OCC ZINC001331296119 1130715049 /nfs/dbraw/zinc/71/50/49/1130715049.db2.gz JBYCUWQBFMYRIQ-OLZOCXBDSA-N 0 1 296.480 3.563 20 0 CHADMN CCc1cccc(CN2CC[C@@H](Oc3ccccc3C)C2)n1 ZINC001235252726 1130727676 /nfs/dbraw/zinc/72/76/76/1130727676.db2.gz DEXZZCGTKAYURE-GOSISDBHSA-N 0 1 296.414 3.606 20 0 CHADMN Cc1cccc(CNCc2ccc(SC(F)F)cc2)n1 ZINC000781625842 1130732247 /nfs/dbraw/zinc/73/22/47/1130732247.db2.gz FQJOMTYCLXVASD-UHFFFAOYSA-N 0 1 294.370 3.995 20 0 CHADMN CCOc1cc(O)cc(CN(Cc2ccccc2)C2CC2)c1 ZINC001235409631 1130740441 /nfs/dbraw/zinc/74/04/41/1130740441.db2.gz MXEGDOIAMAVSGA-UHFFFAOYSA-N 0 1 297.398 3.956 20 0 CHADMN COc1cc(C[N@H+]2CCC[C@](C)(F)CC2)cc(F)c1F ZINC001235433864 1130744185 /nfs/dbraw/zinc/74/41/85/1130744185.db2.gz ANKFEBGECNKSRH-HNNXBMFYSA-N 0 1 287.325 3.688 20 0 CHADMN COc1cc(CN2CCC[C@](C)(F)CC2)cc(F)c1F ZINC001235433864 1130744187 /nfs/dbraw/zinc/74/41/87/1130744187.db2.gz ANKFEBGECNKSRH-HNNXBMFYSA-N 0 1 287.325 3.688 20 0 CHADMN COc1cncc(CN(C)C/C=C/c2ccccc2)c1C ZINC001235471547 1130747045 /nfs/dbraw/zinc/74/70/45/1130747045.db2.gz RZRDAMPTTOSAJB-JXMROGBWSA-N 0 1 282.387 3.544 20 0 CHADMN COC(C[N@H+]1CCCCC[C@H]1/C=C\c1cccs1)OC ZINC000781915601 1130747186 /nfs/dbraw/zinc/74/71/86/1130747186.db2.gz DJNNNLDUYIVEMD-CMUBDUJZSA-N 0 1 295.448 3.625 20 0 CHADMN C[C@H]1CC[C@@]2(CCN(Cc3ccc(Cl)nc3)C2)C1 ZINC000781928409 1130750439 /nfs/dbraw/zinc/75/04/39/1130750439.db2.gz LAOGLJGIFOLIEC-SWLSCSKDSA-N 0 1 264.800 3.747 20 0 CHADMN Cc1nonc1CN(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000747843623 1130752301 /nfs/dbraw/zinc/75/23/01/1130752301.db2.gz OTDYFVVINZFOGM-CMPLNLGQSA-N 0 1 293.798 3.655 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(C/C=C\Cl)[C@@H]2C ZINC000782096885 1130754180 /nfs/dbraw/zinc/75/41/80/1130754180.db2.gz GWAUGHQFQXZRJT-PRTUSXBOSA-N 0 1 265.784 3.755 20 0 CHADMN CCN(Cc1c(Cl)n(C)nc1C(F)(F)F)CC(C)C ZINC000782151460 1130756798 /nfs/dbraw/zinc/75/67/98/1130756798.db2.gz BTAHTSLRNVGMAR-UHFFFAOYSA-N 0 1 297.752 3.570 20 0 CHADMN C[C@H](C1CC1)N1CCc2c(Br)cccc2C1 ZINC000782183304 1130758748 /nfs/dbraw/zinc/75/87/48/1130758748.db2.gz KAGLRQCENHNJNE-SNVBAGLBSA-N 0 1 280.209 3.606 20 0 CHADMN Cc1cncc(Br)c1CN1[C@@H](C)CCC[C@@H]1C ZINC001235638020 1130758832 /nfs/dbraw/zinc/75/88/32/1130758832.db2.gz QJRSCRJOVMGDJO-RYUDHWBXSA-N 0 1 297.240 3.915 20 0 CHADMN C[C@@H]1CCN(Cc2cccn2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001235632457 1130759807 /nfs/dbraw/zinc/75/98/07/1130759807.db2.gz OZWVACHZLAYRCA-KGLIPLIRSA-N 0 1 292.423 3.892 20 0 CHADMN C[C@@H]1CCN(Cc2cccn2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001235632463 1130760481 /nfs/dbraw/zinc/76/04/81/1130760481.db2.gz OZWVACHZLAYRCA-ZIAGYGMSSA-N 0 1 292.423 3.892 20 0 CHADMN CC(C)(C)OC(=O)n1cccc1CN1CCC(C)(C)CC1 ZINC001235632434 1130760521 /nfs/dbraw/zinc/76/05/21/1130760521.db2.gz OGCGZQJVICSOLR-UHFFFAOYSA-N 0 1 292.423 3.893 20 0 CHADMN C[C@@H]1CCCN(Cc2cccn2C(=O)OC(C)(C)C)[C@@H]1C ZINC001235632833 1130761089 /nfs/dbraw/zinc/76/10/89/1130761089.db2.gz RRTDXGUVSYLPLI-ZIAGYGMSSA-N 0 1 292.423 3.892 20 0 CHADMN C[C@H](NC1(c2ccccc2)CCC1)c1cn2c(n1)CCCC2 ZINC000813327506 1130762456 /nfs/dbraw/zinc/76/24/56/1130762456.db2.gz FGKJWRGBSNGEGS-HNNXBMFYSA-N 0 1 295.430 3.949 20 0 CHADMN CCOc1cc(CN(CC)Cc2ccncc2)ccc1F ZINC001235796821 1130780261 /nfs/dbraw/zinc/78/02/61/1130780261.db2.gz WGLJBDIXGXFIDA-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN CC(C)c1ccccc1CNCc1nn(C)c2ccccc12 ZINC000782539489 1130783177 /nfs/dbraw/zinc/78/31/77/1130783177.db2.gz KERLYCJUFQGBHF-UHFFFAOYSA-N 0 1 293.414 3.987 20 0 CHADMN Cc1nc2cc(CN3CC4(C3)CCCC4)ccc2s1 ZINC001235849780 1130786654 /nfs/dbraw/zinc/78/66/54/1130786654.db2.gz GNCDLRJKCXGIQE-UHFFFAOYSA-N 0 1 272.417 3.981 20 0 CHADMN FC(F)(F)[C@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000782960597 1130792564 /nfs/dbraw/zinc/79/25/64/1130792564.db2.gz SNIKKCNMRQZTGS-NSHDSACASA-N 0 1 263.328 3.565 20 0 CHADMN CCCCC[C@H](C(=O)OCc1nc(C(C)C)n[nH]1)C(C)C ZINC000813898584 1130795692 /nfs/dbraw/zinc/79/56/92/1130795692.db2.gz KKJMFDDROVQCQJ-ZDUSSCGKSA-N 0 1 295.427 3.824 20 0 CHADMN CCCCC[C@H](C(=O)OCc1n[nH]c(C(C)C)n1)C(C)C ZINC000813898584 1130795699 /nfs/dbraw/zinc/79/56/99/1130795699.db2.gz KKJMFDDROVQCQJ-ZDUSSCGKSA-N 0 1 295.427 3.824 20 0 CHADMN CCCCC[C@@H](C(=O)OCc1nc(C(C)C)n[nH]1)C(C)C ZINC000813898583 1130795772 /nfs/dbraw/zinc/79/57/72/1130795772.db2.gz KKJMFDDROVQCQJ-CYBMUJFWSA-N 0 1 295.427 3.824 20 0 CHADMN CCCCC[C@@H](C(=O)OCc1n[nH]c(C(C)C)n1)C(C)C ZINC000813898583 1130795780 /nfs/dbraw/zinc/79/57/80/1130795780.db2.gz KKJMFDDROVQCQJ-CYBMUJFWSA-N 0 1 295.427 3.824 20 0 CHADMN CC(C)(C)Oc1ccc(-c2cccc3[nH]nnc32)cc1 ZINC001235926827 1130807774 /nfs/dbraw/zinc/80/77/74/1130807774.db2.gz CMAQBFOFIQNDLP-UHFFFAOYSA-N 0 1 267.332 3.802 20 0 CHADMN COC[C@@H](Nc1ccc(CN(C)C)c(F)c1)C1CCCC1 ZINC000783286927 1130812021 /nfs/dbraw/zinc/81/20/21/1130812021.db2.gz MKWNCXKGBUWFDF-QGZVFWFLSA-N 0 1 294.414 3.504 20 0 CHADMN Fc1ccc([C@H](NC[C@@H]2CCC=CO2)c2cccnc2)cc1 ZINC000783305598 1130814265 /nfs/dbraw/zinc/81/42/65/1130814265.db2.gz SWQILIYZOSLNKY-ROUUACIJSA-N 0 1 298.361 3.592 20 0 CHADMN CCN(Cc1ccc2c(c1)NCC2)Cc1ccccc1F ZINC001235960825 1130818614 /nfs/dbraw/zinc/81/86/14/1130818614.db2.gz PYTKJTCCJQLTHS-UHFFFAOYSA-N 0 1 284.378 3.816 20 0 CHADMN Cc1cc2cc[nH]c2c(-c2c(F)cc(F)c(O)c2F)n1 ZINC001235985190 1130822909 /nfs/dbraw/zinc/82/29/09/1130822909.db2.gz NVVCEAQLUZHMJA-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN Oc1c(F)cc(F)c(-c2cnc(-c3ccco3)cn2)c1F ZINC001235983530 1130823228 /nfs/dbraw/zinc/82/32/28/1130823228.db2.gz DLFDPBJWNRCSIO-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN CC(C)c1cccc(-c2c(F)cc(F)c(O)c2F)n1 ZINC001235986252 1130823419 /nfs/dbraw/zinc/82/34/19/1130823419.db2.gz UTOSHZGZCXJGJD-UHFFFAOYSA-N 0 1 267.250 3.995 20 0 CHADMN Cc1ccc2ncc(-c3c(F)cc(F)c(O)c3F)nc2c1 ZINC001235984795 1130823805 /nfs/dbraw/zinc/82/38/05/1130823805.db2.gz GLYILYHPSSHIOI-UHFFFAOYSA-N 0 1 290.244 3.728 20 0 CHADMN CSc1cnc(-c2c(F)cc(F)c(O)c2F)c(C)c1 ZINC001235991722 1130824191 /nfs/dbraw/zinc/82/41/91/1130824191.db2.gz XGYRLOIRKWEIPW-UHFFFAOYSA-N 0 1 285.290 3.902 20 0 CHADMN CC(=O)Nc1ccc(C)cc1-c1c(F)cc(F)c(O)c1F ZINC001235995366 1130824297 /nfs/dbraw/zinc/82/42/97/1130824297.db2.gz FBVGETGUSSLQGE-UHFFFAOYSA-N 0 1 295.260 3.743 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc(CF)cc2)c1F ZINC001235995958 1130825463 /nfs/dbraw/zinc/82/54/63/1130825463.db2.gz RNUIKHBUEJBJNY-UHFFFAOYSA-N 0 1 256.198 3.946 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc(-n3cccc3)cn2)c1F ZINC001235992498 1130826110 /nfs/dbraw/zinc/82/61/10/1130826110.db2.gz IHGYJKZIUDDNKD-UHFFFAOYSA-N 0 1 290.244 3.662 20 0 CHADMN C[C@@H]1C(=O)Nc2ccc(-c3c(F)cc(F)c(O)c3F)cc21 ZINC001235996535 1130826319 /nfs/dbraw/zinc/82/63/19/1130826319.db2.gz WAYRPRRSBWHCEW-LURJTMIESA-N 0 1 293.244 3.532 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc3ncoc3c2)c1F ZINC001235997379 1130826626 /nfs/dbraw/zinc/82/66/26/1130826626.db2.gz DAEPQDISSGQZDF-UHFFFAOYSA-N 0 1 265.190 3.618 20 0 CHADMN CC(=O)Nc1ccc(-c2c(F)cc(F)c(O)c2F)cc1C ZINC001235998039 1130827037 /nfs/dbraw/zinc/82/70/37/1130827037.db2.gz KMJWEADHQLOTHH-UHFFFAOYSA-N 0 1 295.260 3.743 20 0 CHADMN COC(=O)c1ccc(C)c(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235999125 1130827345 /nfs/dbraw/zinc/82/73/45/1130827345.db2.gz ZXUFOXNWPVWTHM-UHFFFAOYSA-N 0 1 296.244 3.572 20 0 CHADMN CSc1cnccc1-c1c(F)cc(F)c(O)c1F ZINC001235999325 1130827866 /nfs/dbraw/zinc/82/78/66/1130827866.db2.gz FBLRPILYVBQXGB-UHFFFAOYSA-N 0 1 271.263 3.593 20 0 CHADMN Cc1ncc2ccc(-c3c(F)cc(F)c(O)c3F)cc2n1 ZINC001235996952 1130828001 /nfs/dbraw/zinc/82/80/01/1130828001.db2.gz MWYOWUBRRGOYFD-UHFFFAOYSA-N 0 1 290.244 3.728 20 0 CHADMN CN(Cc1csc(N)n1)C1CCC(C(C)(C)C)CC1 ZINC001236009499 1130832196 /nfs/dbraw/zinc/83/21/96/1130832196.db2.gz UJOANIQPVHALSD-UHFFFAOYSA-N 0 1 281.469 3.762 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1ccnn1Cc1ccccc1 ZINC001236052397 1130840445 /nfs/dbraw/zinc/84/04/45/1130840445.db2.gz YISZOJMRKIASEP-UHFFFAOYSA-N 0 1 292.317 3.614 20 0 CHADMN Cc1cc(N2CCCCC2)[nH+]cc1-c1ccc(C(=O)[O-])cc1 ZINC001236059950 1130843202 /nfs/dbraw/zinc/84/32/02/1130843202.db2.gz CBZXBIVZMSZEJJ-UHFFFAOYSA-N 0 1 296.370 3.746 20 0 CHADMN CCC(F)(F)CNC1CCC(C(F)(F)F)CC1 ZINC000697568518 1130856664 /nfs/dbraw/zinc/85/66/64/1130856664.db2.gz AUJFOIPXQLSPCL-UHFFFAOYSA-N 0 1 259.262 3.742 20 0 CHADMN Cc1c(Cl)cnn1CN1CC[C@@H](c2cccc(C)c2)C1 ZINC000784025167 1130869575 /nfs/dbraw/zinc/86/95/75/1130869575.db2.gz JYFKMUZNSKBHBX-OAHLLOKOSA-N 0 1 289.810 3.600 20 0 CHADMN CC(C)(C)c1nnc(COC(=O)C2(C)CCCCCC2)[nH]1 ZINC000814464353 1130875997 /nfs/dbraw/zinc/87/59/97/1130875997.db2.gz RYERUVYYTLGMIT-UHFFFAOYSA-N 0 1 293.411 3.506 20 0 CHADMN CC(C)(C)c1nc(COC(=O)C2(C)CCCCCC2)n[nH]1 ZINC000814464353 1130876002 /nfs/dbraw/zinc/87/60/02/1130876002.db2.gz RYERUVYYTLGMIT-UHFFFAOYSA-N 0 1 293.411 3.506 20 0 CHADMN C[C@H](CCC(C)(C)C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814468739 1130878445 /nfs/dbraw/zinc/87/84/45/1130878445.db2.gz XTRRQULRDVPCKP-LLVKDONJSA-N 0 1 295.427 3.608 20 0 CHADMN C[C@H](CCC(C)(C)C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814468739 1130878448 /nfs/dbraw/zinc/87/84/48/1130878448.db2.gz XTRRQULRDVPCKP-LLVKDONJSA-N 0 1 295.427 3.608 20 0 CHADMN COc1cc(-c2cc3nc[nH]c3cc2F)cc(C)c1F ZINC001236195752 1130884412 /nfs/dbraw/zinc/88/44/12/1130884412.db2.gz TZBJWIBJXARODB-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN Clc1cnc(CN2CCC[C@H](c3ccccc3)C2)cn1 ZINC000814641272 1130893107 /nfs/dbraw/zinc/89/31/07/1130893107.db2.gz DMYOIARENSOGCW-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN CCN(Cc1ccncc1)Cc1cncc2ccccc21 ZINC000784248481 1130894220 /nfs/dbraw/zinc/89/42/20/1130894220.db2.gz JFNXSEKSCQAHRF-UHFFFAOYSA-N 0 1 277.371 3.652 20 0 CHADMN CCSCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000814738742 1130906547 /nfs/dbraw/zinc/90/65/47/1130906547.db2.gz LJFXDLUZRDWKEN-HJWRWDBZSA-N 0 1 277.418 3.778 20 0 CHADMN CC(C)c1cnc(CN[C@@H](C)Cc2ccco2)s1 ZINC000784496229 1130906616 /nfs/dbraw/zinc/90/66/16/1130906616.db2.gz SNMZKMRFSKJGGO-NSHDSACASA-N 0 1 264.394 3.580 20 0 CHADMN CC(C)C(=O)Nc1ccc(-c2cccc3nc[nH]c32)cc1 ZINC001236261716 1130909177 /nfs/dbraw/zinc/90/91/77/1130909177.db2.gz VOCKMMBUSGPGLK-UHFFFAOYSA-N 0 1 279.343 3.824 20 0 CHADMN Cc1ccc(F)c(-c2nncc3ccc(F)cc32)c1O ZINC001236393256 1130926222 /nfs/dbraw/zinc/92/62/22/1130926222.db2.gz QYAQRVUCGBUGQI-UHFFFAOYSA-N 0 1 272.254 3.589 20 0 CHADMN Cc1ccc(F)c(-c2cc3nc[nH]c3cc2C)c1O ZINC001236401717 1130928999 /nfs/dbraw/zinc/92/89/99/1130928999.db2.gz BGMLASPNKMWNIZ-UHFFFAOYSA-N 0 1 256.280 3.691 20 0 CHADMN Cc1ccc(F)c(-c2cc3nc[nH]c3cc2F)c1O ZINC001236414235 1130932843 /nfs/dbraw/zinc/93/28/43/1130932843.db2.gz HMMCALVXIQBNQN-UHFFFAOYSA-N 0 1 260.243 3.522 20 0 CHADMN c1n[nH]c2c1[C@H](Nc1cccc(COCC3CC3)c1)CCC2 ZINC000796872478 1130941409 /nfs/dbraw/zinc/94/14/09/1130941409.db2.gz JPDIJGNDKYXGBN-QGZVFWFLSA-N 0 1 297.402 3.826 20 0 CHADMN CC(C)Nc1ccc(-c2ccc3cncn3c2)cc1 ZINC001236482238 1130952053 /nfs/dbraw/zinc/95/20/53/1130952053.db2.gz GYTZNXNHUQTZHO-UHFFFAOYSA-N 0 1 251.333 3.822 20 0 CHADMN CC[C@H]1CCCN(Cc2ccnc(Br)c2)CC1 ZINC000815051820 1130952220 /nfs/dbraw/zinc/95/22/20/1130952220.db2.gz VDQFTJRTXMPUMC-LBPRGKRZSA-N 0 1 297.240 3.856 20 0 CHADMN COc1c(C)cccc1-c1cccc2nc(C)[nH]c21 ZINC001245363976 1130952823 /nfs/dbraw/zinc/95/28/23/1130952823.db2.gz SKOWIQPCBMUGJQ-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN CC[C@@H](C(=O)O[C@@H](C)c1c(F)cccc1F)N(CC)CC ZINC000797029608 1130954289 /nfs/dbraw/zinc/95/42/89/1130954289.db2.gz CTULWYQDNHBVHU-FZMZJTMJSA-N 0 1 299.361 3.689 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2ccnc(Br)c2)C1 ZINC000815091862 1130955195 /nfs/dbraw/zinc/95/51/95/1130955195.db2.gz SUIXMDIULGZDFZ-GFCCVEGCSA-N 0 1 297.240 3.712 20 0 CHADMN C[C@@H]1CCN(C[C@H](O)c2cccc3ccccc32)C[C@H]1F ZINC000815087841 1130957879 /nfs/dbraw/zinc/95/78/79/1130957879.db2.gz QCLNNMHRBGPZKG-XWIAVFTESA-N 0 1 287.378 3.553 20 0 CHADMN Cc1cc(Cl)cc(CNCc2ccc(Cl)nc2)c1 ZINC000815115013 1130958226 /nfs/dbraw/zinc/95/82/26/1130958226.db2.gz DENOKPLZWVXXOB-UHFFFAOYSA-N 0 1 281.186 3.987 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2ccnc(Br)c2)C1 ZINC000815099949 1130961319 /nfs/dbraw/zinc/96/13/19/1130961319.db2.gz IZPMDCSOFAWLRW-IJLUTSLNSA-N 0 1 297.240 3.711 20 0 CHADMN Cc1nc2cccc(-c3cncc(OC(C)C)c3)c2[nH]1 ZINC001236519959 1130962093 /nfs/dbraw/zinc/96/20/93/1130962093.db2.gz NMUOACQNZJIFSO-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN C[C@H](COC(=O)[C@@H]1CCCc2[nH]ncc21)C1CCCCC1 ZINC000815219654 1130970684 /nfs/dbraw/zinc/97/06/84/1130970684.db2.gz NXODYGNUXZKUJL-TZMCWYRMSA-N 0 1 290.407 3.589 20 0 CHADMN Cc1cc(C)c(Cl)c(-c2cc3[nH]cnc3cn2)c1 ZINC001236548582 1130972518 /nfs/dbraw/zinc/97/25/18/1130972518.db2.gz SULZRLCMATUAES-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN CC(C)Oc1cc(-c2cccc(CN(C)C)c2F)ccn1 ZINC001236571227 1130977871 /nfs/dbraw/zinc/97/78/71/1130977871.db2.gz XNCOTICLILLMPP-UHFFFAOYSA-N 0 1 288.366 3.737 20 0 CHADMN Cc1nc2ccc(-c3ccc(F)c(N)c3C)cc2[nH]1 ZINC001245459865 1130981869 /nfs/dbraw/zinc/98/18/69/1130981869.db2.gz BNZIMGVHGUVTEE-UHFFFAOYSA-N 0 1 255.296 3.568 20 0 CHADMN CNc1ccc(C[N@H+]2CCc3cc(C)ccc3C2)cc1 ZINC001236604039 1130982722 /nfs/dbraw/zinc/98/27/22/1130982722.db2.gz GWWXBSMMVPCDBL-UHFFFAOYSA-N 0 1 266.388 3.595 20 0 CHADMN Cc1cc(Cl)cc(CN2[C@H](C)CCC[C@H]2C)n1 ZINC001236632303 1130984962 /nfs/dbraw/zinc/98/49/62/1130984962.db2.gz BRZSCKIPDYNYOB-VXGBXAGGSA-N 0 1 252.789 3.806 20 0 CHADMN CSCC[N@@H+](C)Cc1cnc(Cl)c(C(F)(F)F)c1 ZINC001236627389 1130985841 /nfs/dbraw/zinc/98/58/41/1130985841.db2.gz AADLATNVWKQPCQ-UHFFFAOYSA-N 0 1 298.761 3.549 20 0 CHADMN CSCCN(C)Cc1cnc(Cl)c(C(F)(F)F)c1 ZINC001236627389 1130985842 /nfs/dbraw/zinc/98/58/42/1130985842.db2.gz AADLATNVWKQPCQ-UHFFFAOYSA-N 0 1 298.761 3.549 20 0 CHADMN CC1=C(Br)CN(CCc2cccs2)CC1 ZINC000797527755 1130991440 /nfs/dbraw/zinc/99/14/40/1130991440.db2.gz SYUHEYLJNULFNK-UHFFFAOYSA-N 0 1 286.238 3.665 20 0 CHADMN COC(=O)[C@H](C(C)C)N(C)Cc1cccc2sccc21 ZINC001236681998 1130992550 /nfs/dbraw/zinc/99/25/50/1130992550.db2.gz JQYCWPVOOVBEKD-HNNXBMFYSA-N 0 1 291.416 3.531 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1cccc2sccc21 ZINC001236690164 1130993816 /nfs/dbraw/zinc/99/38/16/1130993816.db2.gz QPHIMERIZXGRGM-HNNXBMFYSA-N 0 1 273.401 3.845 20 0 CHADMN C[C@H]1CCN(Cc2cccc3sccc32)CCC1=O ZINC001236685418 1130994524 /nfs/dbraw/zinc/99/45/24/1130994524.db2.gz BYXPEHHLZDSOJS-LBPRGKRZSA-N 0 1 273.401 3.702 20 0 CHADMN C[C@H]1CN(Cc2cccc3sccc32)C[C@H](C)O1 ZINC001236684154 1130994550 /nfs/dbraw/zinc/99/45/50/1130994550.db2.gz ZFJZFQAWAJKMKX-RYUDHWBXSA-N 0 1 261.390 3.511 20 0 CHADMN CCC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c([O-])c1 ZINC001236704449 1130995512 /nfs/dbraw/zinc/99/55/12/1130995512.db2.gz BEZTXRNHBRZDIZ-ZDUSSCGKSA-N 0 1 251.345 3.686 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1ccc(F)c([O-])c1 ZINC001236704449 1130995513 /nfs/dbraw/zinc/99/55/13/1130995513.db2.gz BEZTXRNHBRZDIZ-ZDUSSCGKSA-N 0 1 251.345 3.686 20 0 CHADMN CCC[NH+](CCC)Cc1ccc(Br)c([O-])c1 ZINC001236692410 1130995531 /nfs/dbraw/zinc/99/55/31/1130995531.db2.gz PCQMULGAXONZLK-UHFFFAOYSA-N 0 1 286.213 3.777 20 0 CHADMN COC[C@@H]1CCCCN1Cc1ccc(F)c(C)c1Cl ZINC001236708938 1130997423 /nfs/dbraw/zinc/99/74/23/1130997423.db2.gz UGOOBAHEFKJOKX-ZDUSSCGKSA-N 0 1 285.790 3.788 20 0 CHADMN Cc1c(F)ccc(CN2CCC3(CC3)C2)c1Cl ZINC001236707615 1130998272 /nfs/dbraw/zinc/99/82/72/1130998272.db2.gz FWHCTKASZYWDRE-UHFFFAOYSA-N 0 1 253.748 3.773 20 0 CHADMN C[C@H]1CC[C@H]([N@H+](C)Cc2ccc(F)c([O-])c2)CC1 ZINC001236715357 1130999101 /nfs/dbraw/zinc/99/91/01/1130999101.db2.gz XQEBHGRUNVWDNF-AULYBMBSSA-N 0 1 251.345 3.542 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(F)c([O-])c2)CC1 ZINC001236715357 1130999104 /nfs/dbraw/zinc/99/91/04/1130999104.db2.gz XQEBHGRUNVWDNF-AULYBMBSSA-N 0 1 251.345 3.542 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cccc3occc31)CC2 ZINC001236734807 1131001206 /nfs/dbraw/zinc/00/12/06/1131001206.db2.gz KKOWBFMGLLQEDU-UHFFFAOYSA-N 0 1 293.366 4.000 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2CCC23CCCC3)c1 ZINC001236768973 1131004738 /nfs/dbraw/zinc/00/47/38/1131004738.db2.gz JBKYWUNEULRPIN-UHFFFAOYSA-N 0 1 293.794 3.645 20 0 CHADMN CCOc1cncc(CN2CC=C(c3ccccc3)CC2)c1 ZINC001236845246 1131021965 /nfs/dbraw/zinc/02/19/65/1131021965.db2.gz HPMNJMORSHLLEY-UHFFFAOYSA-N 0 1 294.398 3.770 20 0 CHADMN CN(C)Cc1ccc(NC(=O)CC(C)(C)C2CC2)cc1F ZINC000815752983 1131022123 /nfs/dbraw/zinc/02/21/23/1131022123.db2.gz MKIJWNGYBBWZJN-UHFFFAOYSA-N 0 1 292.398 3.652 20 0 CHADMN C[C@@H]1CCN(Cc2cc3sccc3nc2Cl)C1 ZINC001236865422 1131024909 /nfs/dbraw/zinc/02/49/09/1131024909.db2.gz ADQMKKHYBAIXQD-SECBINFHSA-N 0 1 266.797 3.792 20 0 CHADMN CC(=CC(=O)Nc1ccccc1Nc1ccncc1)C1CC1 ZINC000798253855 1131032116 /nfs/dbraw/zinc/03/21/16/1131032116.db2.gz OOWBHSRBHCWEDY-OUKQBFOZSA-N 0 1 293.370 3.542 20 0 CHADMN CN(Cc1ccccc1OC(C)(C)C)C[C@H]1CCCCO1 ZINC001237030799 1131037758 /nfs/dbraw/zinc/03/77/58/1131037758.db2.gz HJQOBFLYTXQLPX-MRXNPFEDSA-N 0 1 291.435 3.865 20 0 CHADMN CC(C)(C)Oc1ccccc1CN1CCC[C@@]2(CCO2)C1 ZINC001237031163 1131037899 /nfs/dbraw/zinc/03/78/99/1131037899.db2.gz IVEGQDLNSBHJCL-GOSISDBHSA-N 0 1 289.419 3.619 20 0 CHADMN CC1CN(Cc2ccc(NC(=O)OC(C)(C)C)c(F)c2)C1 ZINC001237041677 1131038135 /nfs/dbraw/zinc/03/81/35/1131038135.db2.gz QAYROVARYKPKOD-UHFFFAOYSA-N 0 1 294.370 3.624 20 0 CHADMN CN(Cc1ccncc1)Cc1cc(O)cc2ccccc21 ZINC001237065542 1131045243 /nfs/dbraw/zinc/04/52/43/1131045243.db2.gz MMSGVPRLOYBTRQ-UHFFFAOYSA-N 0 1 278.355 3.572 20 0 CHADMN Cc1ccoc1COC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000816100870 1131053625 /nfs/dbraw/zinc/05/36/25/1131053625.db2.gz WZWAHWHDSAWEQV-UHFFFAOYSA-N 0 1 296.326 3.644 20 0 CHADMN CCN(Cc1cccnc1)Cc1ccc(F)c(F)c1C ZINC001237160948 1131061349 /nfs/dbraw/zinc/06/13/49/1131061349.db2.gz IQEDHIGUTAAGHU-UHFFFAOYSA-N 0 1 276.330 3.690 20 0 CHADMN Cc1c(F)c(F)ccc1CN(C)Cc1cccs1 ZINC001237157442 1131062154 /nfs/dbraw/zinc/06/21/54/1131062154.db2.gz FFWZRTAXEYBJQE-UHFFFAOYSA-N 0 1 267.344 3.967 20 0 CHADMN Cc1c(CN2CCC[C@@H](C(F)F)C2)ccc(F)c1F ZINC001237160871 1131062771 /nfs/dbraw/zinc/06/27/71/1131062771.db2.gz HPWZPFMCYLEXEP-LLVKDONJSA-N 0 1 275.289 3.750 20 0 CHADMN Clc1sccc1CN1CC[C@@H](c2ccccn2)C1 ZINC000798962721 1131064566 /nfs/dbraw/zinc/06/45/66/1131064566.db2.gz QCPIFTBRRFCDNK-LLVKDONJSA-N 0 1 278.808 3.786 20 0 CHADMN Fc1ccc(CN2CC[C@@H](c3ccccn3)C2)cc1Cl ZINC000798963856 1131066521 /nfs/dbraw/zinc/06/65/21/1131066521.db2.gz KDZYNLMMQPDKDR-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1ccc(CC[N@@H+](C)Cc2occc2[S-])cc1 ZINC001237193127 1131068406 /nfs/dbraw/zinc/06/84/06/1131068406.db2.gz YESJTBLOPSIDCC-UHFFFAOYSA-N 0 1 261.390 3.551 20 0 CHADMN Cc1ccc(CC[N@H+](C)Cc2occc2[S-])cc1 ZINC001237193127 1131068412 /nfs/dbraw/zinc/06/84/12/1131068412.db2.gz YESJTBLOPSIDCC-UHFFFAOYSA-N 0 1 261.390 3.551 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1cnc(Cl)cn1 ZINC000799125011 1131071010 /nfs/dbraw/zinc/07/10/10/1131071010.db2.gz YDMHLNYYTMTFAC-YPMHNXCESA-N 0 1 267.804 3.531 20 0 CHADMN Clc1cnc(CN[C@@H](c2ccccc2)C2CCC2)cn1 ZINC000799135320 1131072237 /nfs/dbraw/zinc/07/22/37/1131072237.db2.gz MWMZLNHKRYXSDA-INIZCTEOSA-N 0 1 287.794 3.761 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1cnc(Cl)cn1 ZINC000799128699 1131072996 /nfs/dbraw/zinc/07/29/96/1131072996.db2.gz SBSLLUNSFXTJDH-DOMZBBRYSA-N 0 1 287.794 3.508 20 0 CHADMN COc1nc(Cl)ccc1CN1CCC[C@H]2CCC[C@@H]21 ZINC001237242222 1131073044 /nfs/dbraw/zinc/07/30/44/1131073044.db2.gz CFUJKYBIUCMIKF-YPMHNXCESA-N 0 1 280.799 3.508 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1cc(O)cc(F)c1 ZINC001237280061 1131075729 /nfs/dbraw/zinc/07/57/29/1131075729.db2.gz DGRDNTRUCGDPHP-UHFFFAOYSA-N 0 1 289.350 3.562 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1cc(O)cc(F)c1 ZINC001237281173 1131076312 /nfs/dbraw/zinc/07/63/12/1131076312.db2.gz OWFOOFDMUWURCK-VMPITWQZSA-N 0 1 271.335 3.677 20 0 CHADMN FC(F)(F)c1cnccc1CN1CCC12CCCC2 ZINC001237284982 1131076614 /nfs/dbraw/zinc/07/66/14/1131076614.db2.gz IDUFNMFLAPKFIG-UHFFFAOYSA-N 0 1 270.298 3.619 20 0 CHADMN Cc1cc(F)cc(C)c1CN1CCC(F)(F)CC1 ZINC001237316175 1131081851 /nfs/dbraw/zinc/08/18/51/1131081851.db2.gz OUOXFNGUSIXJFS-UHFFFAOYSA-N 0 1 257.299 3.674 20 0 CHADMN CCc1cccc(C)c1CN1CCO[C@@H](c2ccccn2)C1 ZINC001237329003 1131085024 /nfs/dbraw/zinc/08/50/24/1131085024.db2.gz GUUPOVNYKPHFLK-LJQANCHMSA-N 0 1 296.414 3.526 20 0 CHADMN CCc1cccc(C)c1C[N@H+]1CCc2cnccc2C1 ZINC001237334507 1131086683 /nfs/dbraw/zinc/08/66/83/1131086683.db2.gz OXKLTZIQKZWHPN-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN C[C@@H]1CCCN(Cc2cnccc2Br)C[C@H]1C ZINC001237383763 1131093860 /nfs/dbraw/zinc/09/38/60/1131093860.db2.gz FCXMXZITHJPEKA-VXGBXAGGSA-N 0 1 297.240 3.712 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2cc3ccccn3n2)c1 ZINC001237441862 1131098824 /nfs/dbraw/zinc/09/88/24/1131098824.db2.gz NEYNSXDWJQMFCV-IBGZPJMESA-N 0 1 291.398 3.980 20 0 CHADMN Cn1ncc(CN2CCCC3(CCCCC3)C2)c1Cl ZINC000816510574 1131103488 /nfs/dbraw/zinc/10/34/88/1131103488.db2.gz ZRDPAGXZHHJKES-UHFFFAOYSA-N 0 1 281.831 3.620 20 0 CHADMN COc1cccc(CN(C)Cc2cccc(C)c2OC)c1 ZINC001237511180 1131107191 /nfs/dbraw/zinc/10/71/91/1131107191.db2.gz PSEUGMAISPXNNO-UHFFFAOYSA-N 0 1 285.387 3.644 20 0 CHADMN Fc1cccc2c(CN3CC(C(F)F)C3)cccc12 ZINC001237527721 1131110887 /nfs/dbraw/zinc/11/08/87/1131110887.db2.gz ZLZJTJDMDQGSCN-UHFFFAOYSA-N 0 1 265.278 3.676 20 0 CHADMN C[N@H+](Cc1cc(Cl)nc(Cl)c1[O-])C[C@H]1CC1(C)C ZINC001237537657 1131112728 /nfs/dbraw/zinc/11/27/28/1131112728.db2.gz KGHFEXHCAHMJTD-SECBINFHSA-N 0 1 289.206 3.572 20 0 CHADMN C[N@@H+](Cc1cc(Cl)nc(Cl)c1[O-])CC(C)(C)C ZINC001237536227 1131112751 /nfs/dbraw/zinc/11/27/51/1131112751.db2.gz ZPMNUDUJKHLJMB-UHFFFAOYSA-N 0 1 277.195 3.572 20 0 CHADMN CC[C@H]1CCCCN1Cc1c(F)c(OC)ccc1OC ZINC001237573548 1131114056 /nfs/dbraw/zinc/11/40/56/1131114056.db2.gz ANRAOPMWTKWBTN-LBPRGKRZSA-N 0 1 281.371 3.607 20 0 CHADMN Cc1ccnc2cccc(CN3CC[C@](C)(F)[C@H](F)C3)c12 ZINC001237627926 1131121185 /nfs/dbraw/zinc/12/11/85/1131121185.db2.gz WVGJEHJFMHBCCD-WBVHZDCISA-N 0 1 290.357 3.815 20 0 CHADMN Cc1ccc2nc(CN3CC[C@@H]4CCCC[C@H]4C3)cn2c1 ZINC001115858168 1131121544 /nfs/dbraw/zinc/12/15/44/1131121544.db2.gz IBKFIZPTUZOJEH-HOTGVXAUSA-N 0 1 283.419 3.655 20 0 CHADMN CCCc1[nH]ncc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC001115915878 1131123538 /nfs/dbraw/zinc/12/35/38/1131123538.db2.gz STSFEDQIWDTUKJ-UHFFFAOYSA-N 0 1 297.280 3.633 20 0 CHADMN CCc1[nH]ncc1C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001237660223 1131124913 /nfs/dbraw/zinc/12/49/13/1131124913.db2.gz XMSWQXLHSAJOLG-CYBMUJFWSA-N 0 1 289.810 3.615 20 0 CHADMN Cc1cc(C)c(Cl)c(CN2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001237698804 1131128263 /nfs/dbraw/zinc/12/82/63/1131128263.db2.gz QVSXXPFRMKVTKO-GOEBONIOSA-N 0 1 293.838 3.958 20 0 CHADMN Cc1cc(C)c(Cl)c(CN2CCCO[C@@H](C)C2)c1 ZINC001237697214 1131128662 /nfs/dbraw/zinc/12/86/62/1131128662.db2.gz JAPKPFHBPAZUBS-ZDUSSCGKSA-N 0 1 267.800 3.568 20 0 CHADMN CCCc1ccc(NC(=O)[C@H]2C[C@@H](C)Cc3cn[nH]c32)cc1 ZINC000816833205 1131128837 /nfs/dbraw/zinc/12/88/37/1131128837.db2.gz ARJCOVIQJJEUSG-LRDDRELGSA-N 0 1 297.402 3.667 20 0 CHADMN CCCc1ccc(NC(=O)[C@@H]2C[C@@H](C)Cc3cn[nH]c32)cc1 ZINC000816833204 1131128886 /nfs/dbraw/zinc/12/88/86/1131128886.db2.gz ARJCOVIQJJEUSG-BLLLJJGKSA-N 0 1 297.402 3.667 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(C(=O)c1cnc(C(C)C)[nH]1)C1CC1 ZINC001116117181 1131128879 /nfs/dbraw/zinc/12/88/79/1131128879.db2.gz DQTDWOMEDWKRHN-VXGBXAGGSA-N 0 1 277.412 3.572 20 0 CHADMN CC(C)c1ncc(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)[nH]1 ZINC001116126728 1131130279 /nfs/dbraw/zinc/13/02/79/1131130279.db2.gz UTUYRKYIODILNE-DZGCQCFKSA-N 0 1 297.402 3.551 20 0 CHADMN Cc1cc(CN2CCOC[C@@H]2C(C)C)ccc1OC(C)C ZINC001237728620 1131134005 /nfs/dbraw/zinc/13/40/05/1131134005.db2.gz UKYFXVWRPCZGGP-QGZVFWFLSA-N 0 1 291.435 3.639 20 0 CHADMN CCc1cc(CN2CC[C@@H]3CCO[C@H]3C2)ccc1Cl ZINC001237734534 1131134933 /nfs/dbraw/zinc/13/49/33/1131134933.db2.gz CLRDHFHCQZYRQK-ZBFHGGJFSA-N 0 1 279.811 3.513 20 0 CHADMN CC[C@H](C)CONC(=O)C(C)(C)c1ccccc1Cl ZINC000816978129 1131135177 /nfs/dbraw/zinc/13/51/77/1131135177.db2.gz NKIASBDHLPXVQG-NSHDSACASA-N 0 1 283.799 3.712 20 0 CHADMN CCc1cc(CN(C)Cc2ccncc2)ccc1Cl ZINC001237738832 1131136475 /nfs/dbraw/zinc/13/64/75/1131136475.db2.gz NUEBEZFBWFPMOV-UHFFFAOYSA-N 0 1 274.795 3.929 20 0 CHADMN Cc1ccc2nc(NC(=O)C=Cc3ccccc3)[nH]c2c1 ZINC000817017840 1131136949 /nfs/dbraw/zinc/13/69/49/1131136949.db2.gz DYAVQMRERLXUAE-NTMALXAHSA-N 0 1 277.327 3.523 20 0 CHADMN c1cc2c(c(CN3C4CCCC3CCC4)c1)OCC2 ZINC001237755805 1131139431 /nfs/dbraw/zinc/13/94/31/1131139431.db2.gz XDXFKYBJWZYKAQ-UHFFFAOYSA-N 0 1 257.377 3.529 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2ccc(F)c(C)n2)cc1 ZINC001237816694 1131142452 /nfs/dbraw/zinc/14/24/52/1131142452.db2.gz DXUNZZNSMWRLRE-CYBMUJFWSA-N 0 1 288.366 3.731 20 0 CHADMN CCc1ncc(C[N@H+](CC)Cc2ccc(F)cc2)s1 ZINC001237828347 1131143934 /nfs/dbraw/zinc/14/39/34/1131143934.db2.gz LMVZPKCGMASMRB-UHFFFAOYSA-N 0 1 278.396 3.867 20 0 CHADMN CCc1ncc(CN(CC)Cc2ccc(F)cc2)s1 ZINC001237828347 1131143937 /nfs/dbraw/zinc/14/39/37/1131143937.db2.gz LMVZPKCGMASMRB-UHFFFAOYSA-N 0 1 278.396 3.867 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2ccc(F)c(C)n2)cc1 ZINC001237821811 1131144366 /nfs/dbraw/zinc/14/43/66/1131144366.db2.gz QEHPOOBAUZLJQU-UHFFFAOYSA-N 0 1 272.367 3.724 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(F)c(C)n2)cc1 ZINC001237821811 1131144368 /nfs/dbraw/zinc/14/43/68/1131144368.db2.gz QEHPOOBAUZLJQU-UHFFFAOYSA-N 0 1 272.367 3.724 20 0 CHADMN c1ccc(-c2cccc(CN3CC4(C3)CCCCC4)n2)nc1 ZINC001237838699 1131146129 /nfs/dbraw/zinc/14/61/29/1131146129.db2.gz SSJWRGXOTJBLAW-UHFFFAOYSA-N 0 1 293.414 3.910 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@@H+](C)C1CCCCC1 ZINC001237874347 1131146608 /nfs/dbraw/zinc/14/66/08/1131146608.db2.gz UUNINPFEVHFSPC-UHFFFAOYSA-N 0 1 287.407 3.783 20 0 CHADMN COc1ccoc1CN(Cc1ccccc1)C1CCC1 ZINC001237871130 1131147065 /nfs/dbraw/zinc/14/70/65/1131147065.db2.gz RZANSIRHRPAVHM-UHFFFAOYSA-N 0 1 271.360 3.843 20 0 CHADMN COc1ccoc1C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001237874886 1131147250 /nfs/dbraw/zinc/14/72/50/1131147250.db2.gz PHDKFXWUZMEHEQ-ZDUSSCGKSA-N 0 1 291.778 3.931 20 0 CHADMN COc1ccoc1CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC001237874886 1131147253 /nfs/dbraw/zinc/14/72/53/1131147253.db2.gz PHDKFXWUZMEHEQ-ZDUSSCGKSA-N 0 1 291.778 3.931 20 0 CHADMN CC[C@H](C)[C@@H](C)N(C(=O)c1ccc2cncn2c1C)C1CC1 ZINC001116490104 1131149724 /nfs/dbraw/zinc/14/97/24/1131149724.db2.gz ZPJHPLWUNUYHJZ-QWHCGFSZSA-N 0 1 299.418 3.682 20 0 CHADMN CCCOc1cc(F)ccc1CN1CCC[C@H](OCC)C1 ZINC001237906720 1131149879 /nfs/dbraw/zinc/14/98/79/1131149879.db2.gz UTJSFJICIMESKJ-INIZCTEOSA-N 0 1 295.398 3.615 20 0 CHADMN CCCOc1cc(F)ccc1CN1CCCC[C@@H]1COC ZINC001237903035 1131150084 /nfs/dbraw/zinc/15/00/84/1131150084.db2.gz FKKWPZVBUBYEHA-MRXNPFEDSA-N 0 1 295.398 3.615 20 0 CHADMN CCOc1cc(F)cc(CN(CC)Cc2ccncc2)c1 ZINC001237914714 1131151548 /nfs/dbraw/zinc/15/15/48/1131151548.db2.gz QTDTWZGQAMDQLL-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN CC(C)c1cnc(CN2CC[C@H](C3CCCC3)C2)o1 ZINC000817282580 1131152023 /nfs/dbraw/zinc/15/20/23/1131152023.db2.gz HDGAYSUAPDBLGJ-AWEZNQCLSA-N 0 1 262.397 3.810 20 0 CHADMN Cc1cc([C@H]2CCCN2CCc2ccc(F)cc2F)on1 ZINC001116541502 1131153444 /nfs/dbraw/zinc/15/34/44/1131153444.db2.gz FHDXEHPAICILOP-OAHLLOKOSA-N 0 1 292.329 3.641 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H](C(F)F)C2)cc1F ZINC001237955139 1131154725 /nfs/dbraw/zinc/15/47/25/1131154725.db2.gz AMCYWWHTZCMDSA-GFCCVEGCSA-N 0 1 287.325 3.702 20 0 CHADMN C[C@@H](NCc1cc(OCC(F)F)ccn1)c1ccccc1 ZINC001116566783 1131155357 /nfs/dbraw/zinc/15/53/57/1131155357.db2.gz VDUTWGPDBBYXLC-GFCCVEGCSA-N 0 1 292.329 3.576 20 0 CHADMN Cc1sccc1C[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001237975296 1131156954 /nfs/dbraw/zinc/15/69/54/1131156954.db2.gz ZDMSTKLEFMQGMB-INIZCTEOSA-N 0 1 279.449 3.838 20 0 CHADMN Cc1sccc1CN1CCOC[C@H]1C1CCCCC1 ZINC001237975296 1131156955 /nfs/dbraw/zinc/15/69/55/1131156955.db2.gz ZDMSTKLEFMQGMB-INIZCTEOSA-N 0 1 279.449 3.838 20 0 CHADMN Oc1ccc(-c2nc(CN3C[C@H]4CC[C@@H]3C4)cs2)cc1 ZINC001237984605 1131158885 /nfs/dbraw/zinc/15/88/85/1131158885.db2.gz XLZXENNQASUOBW-SMDDNHRTSA-N 0 1 286.400 3.500 20 0 CHADMN C[N@H+](Cc1cc(F)c([O-])c(Cl)c1)CC1CCCC1 ZINC001237996726 1131159463 /nfs/dbraw/zinc/15/94/63/1131159463.db2.gz ICUYIOPGDYQQKV-UHFFFAOYSA-N 0 1 271.763 3.807 20 0 CHADMN C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc(F)c([O-])c(Cl)c1 ZINC001237994548 1131159502 /nfs/dbraw/zinc/15/95/02/1131159502.db2.gz FBGXVXMCNLWVIY-VHSXEESVSA-N 0 1 271.763 3.805 20 0 CHADMN Fc1cc(Cl)c(CN2CCCCCCC2)cn1 ZINC001238021762 1131162112 /nfs/dbraw/zinc/16/21/12/1131162112.db2.gz ZSFJYDJIISYPFP-UHFFFAOYSA-N 0 1 256.752 3.640 20 0 CHADMN CN(Cc1cncc(Cl)c1Cl)C[C@H]1CC1(C)C ZINC001238013723 1131162693 /nfs/dbraw/zinc/16/26/93/1131162693.db2.gz ZFKISVWZFSSHFM-SNVBAGLBSA-N 0 1 273.207 3.866 20 0 CHADMN Cc1nnc(SCc2nc(C3CCCCC3)cs2)[nH]1 ZINC001116797445 1131164200 /nfs/dbraw/zinc/16/42/00/1131164200.db2.gz GNRQMQKRWBYPDJ-UHFFFAOYSA-N 0 1 294.449 3.910 20 0 CHADMN Cc1n[nH]c(SCc2nc(C3CCCCC3)cs2)n1 ZINC001116797445 1131164204 /nfs/dbraw/zinc/16/42/04/1131164204.db2.gz GNRQMQKRWBYPDJ-UHFFFAOYSA-N 0 1 294.449 3.910 20 0 CHADMN Cc1cc(Oc2ccccc2)ccc1CN1CC(C)(CO)C1 ZINC001238059889 1131166388 /nfs/dbraw/zinc/16/63/88/1131166388.db2.gz GIYXPXFGILKOBT-UHFFFAOYSA-N 0 1 297.398 3.602 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3occc32)cc(Cl)n1 ZINC001116899079 1131169672 /nfs/dbraw/zinc/16/96/72/1131169672.db2.gz JTMXESOAXPZSQS-ZDUSSCGKSA-N 0 1 276.767 3.804 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@]23CCOC3)cc(C)c1Cl ZINC001238098392 1131171054 /nfs/dbraw/zinc/17/10/54/1131171054.db2.gz YIDAKDMLDFCDLW-MRXNPFEDSA-N 0 1 279.811 3.712 20 0 CHADMN Cc1ccc(O)cc1C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001238099270 1131171336 /nfs/dbraw/zinc/17/13/36/1131171336.db2.gz OKRSFFXHENHYON-IBGZPJMESA-N 0 1 297.398 3.744 20 0 CHADMN Cc1cc([C@H](C)NCc2cccc(C(F)F)c2)n(C)n1 ZINC001117077606 1131171776 /nfs/dbraw/zinc/17/17/76/1131171776.db2.gz ZEYOIDHRGPMMJT-NSHDSACASA-N 0 1 279.334 3.517 20 0 CHADMN Cc1ccc2c(c1)C[N@H+](Cc1ccc(C(=O)[O-])cc1C)CC2 ZINC001238135496 1131174333 /nfs/dbraw/zinc/17/43/33/1131174333.db2.gz UVJITKXBFQULTG-UHFFFAOYSA-N 0 1 295.382 3.560 20 0 CHADMN COC1([C@H](C)Nc2ccc(CN(C)C)c(F)c2)CCCC1 ZINC000817585836 1131174332 /nfs/dbraw/zinc/17/43/32/1131174332.db2.gz NDAJDEHLEYDECT-ZDUSSCGKSA-N 0 1 294.414 3.647 20 0 CHADMN CCN(Cc1ccncc1)Cc1cc(Cl)c(O)cc1F ZINC001238144614 1131174420 /nfs/dbraw/zinc/17/44/20/1131174420.db2.gz XDIIDAGXEYMNGU-UHFFFAOYSA-N 0 1 294.757 3.602 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c([O-])cc2F)C1 ZINC001238150454 1131174671 /nfs/dbraw/zinc/17/46/71/1131174671.db2.gz VBWIGZYEOYPCSX-SNVBAGLBSA-N 0 1 271.763 3.807 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@@H+](C)CCCc1ccccc1 ZINC001238139680 1131174808 /nfs/dbraw/zinc/17/48/08/1131174808.db2.gz OTFRKXQLOFUQGO-UHFFFAOYSA-N 0 1 297.398 3.758 20 0 CHADMN c1ccc([C@@H]2CCCN2Cc2cncc(C3CC3)c2)nc1 ZINC001238185670 1131177691 /nfs/dbraw/zinc/17/76/91/1131177691.db2.gz PQBFIJCSBPBOGC-SFHVURJKSA-N 0 1 279.387 3.691 20 0 CHADMN COc1ccc(CN(C)Cc2cncc(C3CC3)c2)cc1 ZINC001238184815 1131177878 /nfs/dbraw/zinc/17/78/78/1131177878.db2.gz NJEVHCYQYIQQOB-UHFFFAOYSA-N 0 1 282.387 3.600 20 0 CHADMN Cc1c(Cl)ccc(CN2CC3(C2)CCOCC3)c1C ZINC001238212808 1131182520 /nfs/dbraw/zinc/18/25/20/1131182520.db2.gz CRCHOKHGGDYDGY-UHFFFAOYSA-N 0 1 279.811 3.569 20 0 CHADMN CC(C)c1cc(CN2C[C@H](O)CC[C@H]2C)ccc1Cl ZINC001238217673 1131182979 /nfs/dbraw/zinc/18/29/79/1131182979.db2.gz JDUGSYFXFZXTIY-TZMCWYRMSA-N 0 1 281.827 3.809 20 0 CHADMN CO[C@@H]1CCN(Cc2ccc(Cl)c(C(C)C)c2)C1 ZINC001238219584 1131183159 /nfs/dbraw/zinc/18/31/59/1131183159.db2.gz QLRGTJARLKOOBW-CYBMUJFWSA-N 0 1 267.800 3.684 20 0 CHADMN CC(C)c1cc(CN2CC[C@H]3OCC[C@H]32)ccc1Cl ZINC001238221363 1131183820 /nfs/dbraw/zinc/18/38/20/1131183820.db2.gz FEGHYUQTJFESKM-HZPDHXFCSA-N 0 1 279.811 3.827 20 0 CHADMN Cc1cc(CN2CCC[C@@]3(CCOC3)C2)c(F)cc1Cl ZINC001238297863 1131188563 /nfs/dbraw/zinc/18/85/63/1131188563.db2.gz DLBVJGIFXPJSBD-MRXNPFEDSA-N 0 1 297.801 3.790 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CCC[C@H](F)CC1 ZINC001238317509 1131189827 /nfs/dbraw/zinc/18/98/27/1131189827.db2.gz CNTLPYSAZCZBAG-AWEZNQCLSA-N 0 1 283.362 3.937 20 0 CHADMN CC(C)c1nc(CNC[C@@H](CO)C2CCCCC2)cs1 ZINC001117706466 1131192914 /nfs/dbraw/zinc/19/29/14/1131192914.db2.gz HHFQDJXLZDBBMF-AWEZNQCLSA-N 0 1 296.480 3.545 20 0 CHADMN CC[C@H](C)N(C)Cc1ccnc(Br)c1Cl ZINC001238373669 1131194542 /nfs/dbraw/zinc/19/45/42/1131194542.db2.gz LUNFKISEBVAVIM-QMMMGPOBSA-N 0 1 291.620 3.728 20 0 CHADMN CC(C)Oc1cccc(CN2CCC3(CC3)C2)c1F ZINC001238423391 1131197562 /nfs/dbraw/zinc/19/75/62/1131197562.db2.gz JKPZRVORVWBDNI-UHFFFAOYSA-N 0 1 263.356 3.599 20 0 CHADMN Cc1cnc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(O)c1 ZINC001136103169 1131197739 /nfs/dbraw/zinc/19/77/39/1131197739.db2.gz UPRKGAWDKWZTBX-UHFFFAOYSA-N 0 1 297.141 3.655 20 0 CHADMN COC[C@H]1CCCCN1Cc1ccc(OC(C)C)cc1F ZINC001238444434 1131200696 /nfs/dbraw/zinc/20/06/96/1131200696.db2.gz LPDWVNAHCQLNCD-OAHLLOKOSA-N 0 1 295.398 3.614 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1ncc(C)cc1C ZINC001238435974 1131201296 /nfs/dbraw/zinc/20/12/96/1131201296.db2.gz ALUPZWYENSUOPG-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN CCCO[C@H]1CCN(Cc2ccc(OC(C)C)cc2F)C1 ZINC001238452410 1131201958 /nfs/dbraw/zinc/20/19/58/1131201958.db2.gz VXTQQGLAMOMEDX-INIZCTEOSA-N 0 1 295.398 3.614 20 0 CHADMN COC[C@H]1CCCCN1Cc1ccc(F)c(OC(C)C)c1 ZINC001238455565 1131202118 /nfs/dbraw/zinc/20/21/18/1131202118.db2.gz ZXMOAVVUJYRTGN-OAHLLOKOSA-N 0 1 295.398 3.614 20 0 CHADMN CC(C)Oc1cc(CN2CC[C@](C)(CF)C2)ccc1F ZINC001238455485 1131202744 /nfs/dbraw/zinc/20/27/44/1131202744.db2.gz YLUCCSWWBMCUIT-MRXNPFEDSA-N 0 1 283.362 3.794 20 0 CHADMN CC(C)Oc1cc(CN2CC3(C2)CCCC3)ccc1F ZINC001238455431 1131202799 /nfs/dbraw/zinc/20/27/99/1131202799.db2.gz WXJNBZHPUMRQNS-UHFFFAOYSA-N 0 1 277.383 3.989 20 0 CHADMN Cc1ccc(OC(C)C)cc1CN(C)Cc1ccncc1 ZINC001238477210 1131205365 /nfs/dbraw/zinc/20/53/65/1131205365.db2.gz MLQWGAWFGPPUKV-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN COc1c(CN2CCCC[C@@H](C)C2)ccc(F)c1F ZINC001238467812 1131205948 /nfs/dbraw/zinc/20/59/48/1131205948.db2.gz YQUUBRCJCMGNEE-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN COc1c(CN2CCC[C@H](C)CC2)ccc(F)c1F ZINC001238467648 1131206434 /nfs/dbraw/zinc/20/64/34/1131206434.db2.gz VQTACQMIADZOKC-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN COc1cnc(CN2[C@H](C)CCC[C@@H]2C)c(Cl)c1 ZINC001238481846 1131206943 /nfs/dbraw/zinc/20/69/43/1131206943.db2.gz GUZJUGMHNXJQKK-PHIMTYICSA-N 0 1 268.788 3.507 20 0 CHADMN Cc1ccc(OC(C)C)cc1CN1CCC[C@H](F)C1 ZINC001238484648 1131207234 /nfs/dbraw/zinc/20/72/34/1131207234.db2.gz FZUAICABQWUYJW-HNNXBMFYSA-N 0 1 265.372 3.716 20 0 CHADMN Cc1ccc(OC(C)C)cc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001238481373 1131207396 /nfs/dbraw/zinc/20/73/96/1131207396.db2.gz OCEMICOOPJQKAM-XIRDDKMYSA-N 0 1 277.383 3.572 20 0 CHADMN COc1cnc(CN2CCC3(C2)CCCCC3)c(Cl)c1 ZINC001238498892 1131209241 /nfs/dbraw/zinc/20/92/41/1131209241.db2.gz XWWQGGITADEAEF-UHFFFAOYSA-N 0 1 294.826 3.900 20 0 CHADMN Cc1c(Cl)ccc(CN2CC[C@H](C)[C@@](C)(O)CC2)c1F ZINC001238512808 1131211919 /nfs/dbraw/zinc/21/19/19/1131211919.db2.gz PGAROPVMAMWRKQ-ZBEGNZNMSA-N 0 1 299.817 3.770 20 0 CHADMN Cc1c(Cl)ccc(CN2CC[C@@H](C)[C@@](C)(O)CC2)c1F ZINC001238512804 1131212312 /nfs/dbraw/zinc/21/23/12/1131212312.db2.gz PGAROPVMAMWRKQ-BZNIZROVSA-N 0 1 299.817 3.770 20 0 CHADMN CC(C)Oc1c(F)ccc(CN2CCC[C@@H](C)C2)c1F ZINC001238530420 1131213198 /nfs/dbraw/zinc/21/31/98/1131213198.db2.gz XKHXTUYIQOAFNW-GFCCVEGCSA-N 0 1 283.362 3.984 20 0 CHADMN CC(C)Oc1ccc(-c2ccc(CN3CCC3)cn2)cc1 ZINC001238537584 1131213255 /nfs/dbraw/zinc/21/32/55/1131213255.db2.gz SFFVOASGMKRVGF-UHFFFAOYSA-N 0 1 282.387 3.742 20 0 CHADMN CC(=O)c1ccc(CN2CC[C@H](Oc3ccccc3)C2)cc1 ZINC001118198781 1131215672 /nfs/dbraw/zinc/21/56/72/1131215672.db2.gz ZTLLIDLADGGEPK-IBGZPJMESA-N 0 1 295.382 3.543 20 0 CHADMN COc1cc(C)cc(F)c1CN(C)C[C@@H]1CC1(C)C ZINC001238593530 1131219861 /nfs/dbraw/zinc/21/98/61/1131219861.db2.gz GEXBMAJGQKIGLV-LBPRGKRZSA-N 0 1 265.372 3.621 20 0 CHADMN CC[C@H]1CCCCN1Cc1cnc(F)c(OC(C)C)c1 ZINC001238596745 1131219904 /nfs/dbraw/zinc/21/99/04/1131219904.db2.gz XRTKZMLXOUVHDK-AWEZNQCLSA-N 0 1 280.387 3.772 20 0 CHADMN CC(C)Oc1cc(CN2C3CCCC2CCC3)cnc1F ZINC001238596722 1131220387 /nfs/dbraw/zinc/22/03/87/1131220387.db2.gz WUILEZOZJLLPSV-UHFFFAOYSA-N 0 1 292.398 3.915 20 0 CHADMN CC(C)Oc1cc(CN2CC[C@@H](C)C[C@@H]2C)cnc1F ZINC001238599864 1131220885 /nfs/dbraw/zinc/22/08/85/1131220885.db2.gz LZRJNBWDIPKMSX-OLZOCXBDSA-N 0 1 280.387 3.628 20 0 CHADMN Cc1cc(CN2CC[C@@H](F)C(F)(F)CC2)cnc1C1CC1 ZINC001238616166 1131223499 /nfs/dbraw/zinc/22/34/99/1131223499.db2.gz MEQDXUBXULYDST-CQSZACIVSA-N 0 1 298.352 3.837 20 0 CHADMN Cc1cnc(-c2ccccc2)c(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC001238620349 1131224711 /nfs/dbraw/zinc/22/47/11/1131224711.db2.gz WJOWNABCOUTINA-HZPDHXFCSA-N 0 1 296.414 3.666 20 0 CHADMN CCN(CC)Cc1cc(-c2ccccc2)cnc1F ZINC001238657797 1131227051 /nfs/dbraw/zinc/22/70/51/1131227051.db2.gz LAFLZVSWCVEICF-UHFFFAOYSA-N 0 1 258.340 3.730 20 0 CHADMN CO[C@H]1CCCN(Cc2cc(Cl)ccc2SC)C1 ZINC001238670501 1131228406 /nfs/dbraw/zinc/22/84/06/1131228406.db2.gz GTRFSQAPFNSWHJ-ZDUSSCGKSA-N 0 1 285.840 3.673 20 0 CHADMN Clc1ccc([C@@H]2CCCCCN2Cc2nnc[nH]2)cc1 ZINC001118494170 1131229739 /nfs/dbraw/zinc/22/97/39/1131229739.db2.gz BKVZKJANDGKRTO-AWEZNQCLSA-N 0 1 290.798 3.575 20 0 CHADMN Cc1ccc2oc(-c3noc([C@H]4C[C@H](C)CCN4)n3)cc2c1 ZINC000823135639 1131416496 /nfs/dbraw/zinc/41/64/96/1131416496.db2.gz UEQMVIXAZMTUQX-DGCLKSJQSA-N 0 1 297.358 3.852 20 0 CHADMN CCCCCC(CCCCC)NC(=O)[C@H]1CCCN1C ZINC001137821150 1131419673 /nfs/dbraw/zinc/41/96/73/1131419673.db2.gz YELAFYMDJHPMSG-MRXNPFEDSA-N 0 1 282.472 3.726 20 0 CHADMN FC1CC2(C1)CCC[N@@H+](Cc1scnc1Cl)CC2 ZINC001137823521 1131419688 /nfs/dbraw/zinc/41/96/88/1131419688.db2.gz JRSAJVQXWOEORA-UHFFFAOYSA-N 0 1 288.819 3.901 20 0 CHADMN FC1CC2(C1)CCCN(Cc1scnc1Cl)CC2 ZINC001137823521 1131419689 /nfs/dbraw/zinc/41/96/89/1131419689.db2.gz JRSAJVQXWOEORA-UHFFFAOYSA-N 0 1 288.819 3.901 20 0 CHADMN CC(F)(F)c1cccc(-c2noc([C@H]3CCCCN3)n2)c1 ZINC000823280176 1131420641 /nfs/dbraw/zinc/42/06/41/1131420641.db2.gz HQKQMMJPIVXMDL-GFCCVEGCSA-N 0 1 293.317 3.663 20 0 CHADMN CCC(CC)CN(CC)Cc1cc(F)ncc1F ZINC000823404039 1131425626 /nfs/dbraw/zinc/42/56/26/1131425626.db2.gz KAROYRBPRQUQPZ-UHFFFAOYSA-N 0 1 256.340 3.618 20 0 CHADMN CC(C)N(Cc1ccnc(Cl)c1F)C1CCC1 ZINC000823464697 1131427562 /nfs/dbraw/zinc/42/75/62/1131427562.db2.gz JSSCSKZOYNCLMI-UHFFFAOYSA-N 0 1 256.752 3.637 20 0 CHADMN Fc1c(CN2CCC[C@H]3CCC[C@@H]32)ccnc1Cl ZINC000823419308 1131428253 /nfs/dbraw/zinc/42/82/53/1131428253.db2.gz XYKSTQQIFKRYRB-PWSUYJOCSA-N 0 1 268.763 3.639 20 0 CHADMN C[C@H]1CCCCN(Cc2cc(F)c(F)cc2F)C1 ZINC001137885175 1131428625 /nfs/dbraw/zinc/42/86/25/1131428625.db2.gz AEADLNOKMSRWJU-JTQLQIEISA-N 0 1 257.299 3.726 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CCN1Cc1cc(F)ncc1F ZINC000823471259 1131429211 /nfs/dbraw/zinc/42/92/11/1131429211.db2.gz RYTAZLYTIYMFON-SWLSCSKDSA-N 0 1 288.341 3.738 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1cc(F)ncc1F ZINC000823471260 1131429338 /nfs/dbraw/zinc/42/93/38/1131429338.db2.gz RYTAZLYTIYMFON-WFASDCNBSA-N 0 1 288.341 3.738 20 0 CHADMN COc1ccccc1C1(NCc2ccc3c(c2)COC3)CC1 ZINC000829702565 1131429641 /nfs/dbraw/zinc/42/96/41/1131429641.db2.gz SUBFVWZXKRKMOX-UHFFFAOYSA-N 0 1 295.382 3.504 20 0 CHADMN CCCCCC[C@](C)(CC)C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC001137894406 1131431228 /nfs/dbraw/zinc/43/12/28/1131431228.db2.gz SUZHSKPECAPCMN-NUJGCVRESA-N 0 1 296.499 3.924 20 0 CHADMN CC(C)Oc1cccc(CNCc2cc3cccnc3o2)c1 ZINC000823671634 1131437023 /nfs/dbraw/zinc/43/70/23/1131437023.db2.gz REABHJSNNHNYIQ-UHFFFAOYSA-N 0 1 296.370 3.905 20 0 CHADMN Cc1cccc(C2(NCc3ccc(F)cn3)CCC2)c1 ZINC000829879238 1131438447 /nfs/dbraw/zinc/43/84/47/1131438447.db2.gz NOFYWTKZSQJAOZ-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN CN(CCc1cccc(F)c1)Cc1ccc(F)c(F)c1F ZINC001137941518 1131440334 /nfs/dbraw/zinc/44/03/34/1131440334.db2.gz URWZGZCACOMHLZ-UHFFFAOYSA-N 0 1 297.295 3.918 20 0 CHADMN Fc1c(Cl)cccc1CN1CCC12CCCC2 ZINC001137957909 1131441840 /nfs/dbraw/zinc/44/18/40/1131441840.db2.gz UMPYZMCFGGVXHJ-UHFFFAOYSA-N 0 1 253.748 3.998 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@@H]1NCc1ccnc(Cl)c1F ZINC000823790327 1131443475 /nfs/dbraw/zinc/44/34/75/1131443475.db2.gz YDDLEJQTOJBRSE-MEBBXXQBSA-N 0 1 290.769 3.897 20 0 CHADMN COc1cc(F)cc(CNCc2c(C)cccc2F)c1 ZINC000823949046 1131447240 /nfs/dbraw/zinc/44/72/40/1131447240.db2.gz ABEPPLYDZGKQMO-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN C[C@@H](NC(=O)c1cccc2nc(C(F)F)[nH]c21)C(C)(C)C ZINC000824082719 1131454258 /nfs/dbraw/zinc/45/42/58/1131454258.db2.gz NABVKCUCNYQLJB-MRVPVSSYSA-N 0 1 295.333 3.665 20 0 CHADMN Cc1nc2c(s1)[C@@H](NCc1cc3cccnc3o1)CCC2 ZINC000824136573 1131456279 /nfs/dbraw/zinc/45/62/79/1131456279.db2.gz XGNJERCXBBJIFJ-ZDUSSCGKSA-N 0 1 299.399 3.760 20 0 CHADMN Cc1nc2c(s1)[C@H](NCc1cc3cccnc3o1)CCC2 ZINC000824136566 1131456436 /nfs/dbraw/zinc/45/64/36/1131456436.db2.gz XGNJERCXBBJIFJ-CYBMUJFWSA-N 0 1 299.399 3.760 20 0 CHADMN Cc1cccc(CN2CCC(O)(c3ccccc3)CC2)c1F ZINC000824180998 1131457246 /nfs/dbraw/zinc/45/72/46/1131457246.db2.gz LHRAKCKRSVBVIH-UHFFFAOYSA-N 0 1 299.389 3.618 20 0 CHADMN C[C@@H]1c2cccn2CCN1Cc1ccc(O)c2ccccc12 ZINC001138061976 1131460224 /nfs/dbraw/zinc/46/02/24/1131460224.db2.gz ZONDYJGVZPDRSS-CQSZACIVSA-N 0 1 292.382 3.924 20 0 CHADMN CCOc1cccc(CN2CCc3cc(OC)ccc3C2)c1 ZINC001138096074 1131464197 /nfs/dbraw/zinc/46/41/97/1131464197.db2.gz SGRYVULMTBQMFX-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN Cc1ccc(F)c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1F ZINC001138115323 1131467916 /nfs/dbraw/zinc/46/79/16/1131467916.db2.gz IEDJQDSGKPFFQQ-OLZOCXBDSA-N 0 1 265.347 3.895 20 0 CHADMN Cc1ccc(F)c(CN2CCC23CCCC3)c1F ZINC001138114563 1131467985 /nfs/dbraw/zinc/46/79/85/1131467985.db2.gz ATQUKLDUNSISPN-UHFFFAOYSA-N 0 1 251.320 3.792 20 0 CHADMN CCN(Cc1cnc[nH]1)Cc1ccc(Cl)cc1Cl ZINC001136873216 1131468826 /nfs/dbraw/zinc/46/88/26/1131468826.db2.gz JOIXXGMGSXUSCL-UHFFFAOYSA-N 0 1 284.190 3.739 20 0 CHADMN C[C@]1(F)CCCN(Cc2cncc3ccccc32)C1 ZINC000824472245 1131469073 /nfs/dbraw/zinc/46/90/73/1131469073.db2.gz NWNLHGXCCREJGF-INIZCTEOSA-N 0 1 258.340 3.559 20 0 CHADMN Cc1ccc(F)c(CN(C)CC2CCCC2)c1F ZINC001138119583 1131469232 /nfs/dbraw/zinc/46/92/32/1131469232.db2.gz KAWLRDJDXBDLPM-UHFFFAOYSA-N 0 1 253.336 3.895 20 0 CHADMN C[C@@]1(F)CCCN(Cc2ccc3cnccc3c2)C1 ZINC000824472336 1131469665 /nfs/dbraw/zinc/46/96/65/1131469665.db2.gz QEYSTAVOMFCZCR-MRXNPFEDSA-N 0 1 258.340 3.559 20 0 CHADMN CC1(F)CCN(Cc2ccc(N3CCCCC3)o2)CC1 ZINC001138172261 1131474443 /nfs/dbraw/zinc/47/44/43/1131474443.db2.gz NMHFCECFWPIKKC-UHFFFAOYSA-N 0 1 280.387 3.594 20 0 CHADMN CC1(C)OCCC12CCN(Cc1ccc(Cl)cn1)CC2 ZINC001136932960 1131479695 /nfs/dbraw/zinc/47/96/95/1131479695.db2.gz ZJAYCECFKLPDMW-UHFFFAOYSA-N 0 1 294.826 3.516 20 0 CHADMN Cc1ccc(NC(=O)Nc2ncc(Cl)cc2O)cc1C ZINC001202816388 1131479806 /nfs/dbraw/zinc/47/98/06/1131479806.db2.gz IUYJZTQFIITHPV-UHFFFAOYSA-N 0 1 291.738 3.701 20 0 CHADMN COCc1csc(CN2CCc3c(C)cccc3C2)c1 ZINC000824721076 1131481019 /nfs/dbraw/zinc/48/10/19/1131481019.db2.gz ZUDARMWLJXRHSE-UHFFFAOYSA-N 0 1 287.428 3.761 20 0 CHADMN Clc1cc2c(cc1CN1CCC13CCCC3)OCO2 ZINC001138239694 1131481555 /nfs/dbraw/zinc/48/15/55/1131481555.db2.gz MYBSYGSTWZDCLW-UHFFFAOYSA-N 0 1 279.767 3.587 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1ccc(Cl)cn1 ZINC001136931604 1131481679 /nfs/dbraw/zinc/48/16/79/1131481679.db2.gz JWQVDUXBRFXUNY-VMPITWQZSA-N 0 1 272.779 3.880 20 0 CHADMN FC1CC2(C1)CCCN(Cc1ccc(Cl)cn1)CC2 ZINC001136931677 1131481991 /nfs/dbraw/zinc/48/19/91/1131481991.db2.gz OWCDSAMTHYZFAZ-UHFFFAOYSA-N 0 1 282.790 3.839 20 0 CHADMN CCN(c1ccc(N[C@H]2CO[C@H](C3CC3)C2)cc1)C(C)C ZINC000824963368 1131491798 /nfs/dbraw/zinc/49/17/98/1131491798.db2.gz QEDRBZZVVVMYFM-AEFFLSMTSA-N 0 1 288.435 3.901 20 0 CHADMN Cc1cccc(CN(Cc2cc(O)cc(O)c2)C2CC2)c1C ZINC001138333402 1131492014 /nfs/dbraw/zinc/49/20/14/1131492014.db2.gz AVEAPXZKLKTMQH-UHFFFAOYSA-N 0 1 297.398 3.879 20 0 CHADMN CCN(Cc1ccc(C)c(C)c1)Cc1cc(O)cc(O)c1 ZINC001138332863 1131492342 /nfs/dbraw/zinc/49/23/42/1131492342.db2.gz JZZWVXDDHUMPDF-UHFFFAOYSA-N 0 1 285.387 3.737 20 0 CHADMN CN(Cc1ccc2ccccc2c1)Cc1cc(O)cc(O)c1 ZINC001138332908 1131492456 /nfs/dbraw/zinc/49/24/56/1131492456.db2.gz LHXHLJRCVYVWIB-UHFFFAOYSA-N 0 1 293.366 3.883 20 0 CHADMN COc1c(F)ccc(CN2CCC[C@](C)(F)CC2)c1F ZINC001143321173 1131493178 /nfs/dbraw/zinc/49/31/78/1131493178.db2.gz WFPBFXZQEGLXJN-HNNXBMFYSA-N 0 1 287.325 3.688 20 0 CHADMN CN(Cc1c[nH]c2cccc(F)c12)Cc1cccc(O)c1 ZINC001136979784 1131494456 /nfs/dbraw/zinc/49/44/56/1131494456.db2.gz QRLSBEJVVZZJSW-UHFFFAOYSA-N 0 1 284.334 3.645 20 0 CHADMN CCc1cccc2c(CN3CC[C@@H](C)[C@H](F)C3)c[nH]c21 ZINC001138360358 1131494696 /nfs/dbraw/zinc/49/46/96/1131494696.db2.gz UNHGIAQHGCWZDI-MLGOLLRUSA-N 0 1 274.383 3.910 20 0 CHADMN COc1ccc(F)cc1CN1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001138376812 1131495969 /nfs/dbraw/zinc/49/59/69/1131495969.db2.gz UFYZQJJGLRVAMA-OKILXGFUSA-N 0 1 297.373 3.921 20 0 CHADMN COc1ccc(F)cc1CN1CCCc2ccccc2C1 ZINC001138373789 1131496037 /nfs/dbraw/zinc/49/60/37/1131496037.db2.gz WJQLCRYUCFTQEG-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN CCc1nc(CN[C@H](C)Cc2coc3ccccc23)co1 ZINC000825062220 1131496660 /nfs/dbraw/zinc/49/66/60/1131496660.db2.gz QKZXYZWRASUXAE-GFCCVEGCSA-N 0 1 284.359 3.704 20 0 CHADMN CCN(Cc1c[nH]c2cccc(F)c12)Cc1ccccn1 ZINC001136985735 1131497647 /nfs/dbraw/zinc/49/76/47/1131497647.db2.gz SYWMPAVABCBZFV-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN CCc1nc(CN[C@@H](C)Cc2coc3ccccc23)co1 ZINC000825062223 1131497877 /nfs/dbraw/zinc/49/78/77/1131497877.db2.gz QKZXYZWRASUXAE-LBPRGKRZSA-N 0 1 284.359 3.704 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001138396027 1131498016 /nfs/dbraw/zinc/49/80/16/1131498016.db2.gz GKYWOFQYNZCWGA-KRWDZBQOSA-N 0 1 296.414 3.632 20 0 CHADMN [O-]c1cccnc1C[N@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001138396027 1131498019 /nfs/dbraw/zinc/49/80/19/1131498019.db2.gz GKYWOFQYNZCWGA-KRWDZBQOSA-N 0 1 296.414 3.632 20 0 CHADMN Cc1ccc(CN(C)Cc2c[nH]c3cccc(F)c23)cn1 ZINC001136987303 1131498970 /nfs/dbraw/zinc/49/89/70/1131498970.db2.gz SBTBHZUVEAAEPP-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN Cc1c2cc(F)ccc2[nH]c1CN(C)Cc1cccc(O)c1 ZINC001138409691 1131499924 /nfs/dbraw/zinc/49/99/24/1131499924.db2.gz DALLIUHKGKUZMK-UHFFFAOYSA-N 0 1 298.361 3.953 20 0 CHADMN Cc1ccc2[nH]c(CN3CCC(F)(F)[C@H](C)C3)cc2c1 ZINC001138419233 1131503111 /nfs/dbraw/zinc/50/31/11/1131503111.db2.gz OATDAKBQSUSFFA-GFCCVEGCSA-N 0 1 278.346 3.953 20 0 CHADMN COc1c(F)cc(CN2CCC[C@@H]3CCC[C@@H]32)cc1F ZINC001138425518 1131503824 /nfs/dbraw/zinc/50/38/24/1131503824.db2.gz WDWFOILSNOLBBW-WFASDCNBSA-N 0 1 281.346 3.738 20 0 CHADMN FC(F)(F)c1cnc(CN2CCCCCCCC2)[nH]1 ZINC001137018861 1131506234 /nfs/dbraw/zinc/50/62/34/1131506234.db2.gz IJYTZXQXSBAQJJ-UHFFFAOYSA-N 0 1 275.318 3.585 20 0 CHADMN CN(Cc1ncc(C(F)(F)F)[nH]1)[C@@H]1CCc2ccccc21 ZINC001137022148 1131507280 /nfs/dbraw/zinc/50/72/80/1131507280.db2.gz SMTGMTLQJCYFCI-GFCCVEGCSA-N 0 1 295.308 3.548 20 0 CHADMN Cc1c2ccccc2sc1CN1CCc2ncn(C)c2C1 ZINC001138461309 1131508493 /nfs/dbraw/zinc/50/84/93/1131508493.db2.gz BEKPDYSBBJYTHU-UHFFFAOYSA-N 0 1 297.427 3.502 20 0 CHADMN COc1ccc(Cl)cc1CN1CC[C@@](C)(CF)C1 ZINC001138480111 1131511784 /nfs/dbraw/zinc/51/17/84/1131511784.db2.gz LPGLMCXDYLBXKB-AWEZNQCLSA-N 0 1 271.763 3.530 20 0 CHADMN COc1cncc(CN[C@@]2(c3ccccc3)CC2(C)C)c1C ZINC001203249412 1131514411 /nfs/dbraw/zinc/51/44/11/1131514411.db2.gz QQGMDLBDCKASHW-LJQANCHMSA-N 0 1 296.414 3.814 20 0 CHADMN COc1ccc(F)c(CN2C[C@H]3CCC[C@@H]3C2)c1Cl ZINC001143365336 1131516712 /nfs/dbraw/zinc/51/67/12/1131516712.db2.gz LJOKUPNAXXZBBZ-GHMZBOCLSA-N 0 1 283.774 3.720 20 0 CHADMN C/C=C(\CC)C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831892696 1131517889 /nfs/dbraw/zinc/51/78/89/1131517889.db2.gz PLUYZGPSMSWRAD-BRRGFWCPSA-N 0 1 289.423 3.595 20 0 CHADMN CC(C)=C(C)C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831905561 1131518329 /nfs/dbraw/zinc/51/83/29/1131518329.db2.gz WEFKBYIKTGPGKX-CQSZACIVSA-N 0 1 289.423 3.595 20 0 CHADMN COc1ccc(CN2CCC(C)CC2)cc1C(F)(F)F ZINC001143629036 1131519158 /nfs/dbraw/zinc/51/91/58/1131519158.db2.gz PKPMCGZVPQJXQX-UHFFFAOYSA-N 0 1 287.325 3.946 20 0 CHADMN CC(C)c1cc([C@H]2CCCN(C(=O)CC(C)(C)C)C2)n[nH]1 ZINC000831917845 1131520322 /nfs/dbraw/zinc/52/03/22/1131520322.db2.gz FOGMOZHXRLUKKO-ZDUSSCGKSA-N 0 1 291.439 3.675 20 0 CHADMN COc1ccc(CN2C[C@@H]3[C@H](C2)C3(C)C)cc1C(F)(F)F ZINC001143644787 1131521744 /nfs/dbraw/zinc/52/17/44/1131521744.db2.gz JTOTUBCQTJSKHW-BETUJISGSA-N 0 1 299.336 3.802 20 0 CHADMN Cc1nnc([C@H](C)N2CCCCCCCC2)s1 ZINC000831937534 1131522901 /nfs/dbraw/zinc/52/29/01/1131522901.db2.gz UFYYQLJEMJLDSA-NSHDSACASA-N 0 1 253.415 3.564 20 0 CHADMN CCOc1c(F)cc(CN2CCC[C@@H]2C)cc1Cl ZINC001143734507 1131526729 /nfs/dbraw/zinc/52/67/29/1131526729.db2.gz QNLCTYOBNDPPLB-JTQLQIEISA-N 0 1 271.763 3.862 20 0 CHADMN c1cc2c(s1)CN(Cc1ccccc1N1CCCC1)CC2 ZINC001138611788 1131527071 /nfs/dbraw/zinc/52/70/71/1131527071.db2.gz UDPNERNWMMXJTD-UHFFFAOYSA-N 0 1 298.455 3.907 20 0 CHADMN CCCONC(=O)C(C)(C)c1ccc2ccccc2c1 ZINC000844085870 1131531111 /nfs/dbraw/zinc/53/11/11/1131531111.db2.gz VCSPIBIYAUJJJU-UHFFFAOYSA-N 0 1 271.360 3.575 20 0 CHADMN CCSc1ncc(C[N@@H+](C)[C@H]2CCc3ccccc32)cn1 ZINC001138657915 1131533117 /nfs/dbraw/zinc/53/31/17/1131533117.db2.gz UDZJHHYTDQSXTJ-INIZCTEOSA-N 0 1 299.443 3.708 20 0 CHADMN CCSc1ncc(CN(C)[C@H]2CCc3ccccc32)cn1 ZINC001138657915 1131533123 /nfs/dbraw/zinc/53/31/23/1131533123.db2.gz UDZJHHYTDQSXTJ-INIZCTEOSA-N 0 1 299.443 3.708 20 0 CHADMN CSc1ncc(CN(Cc2ccccc2)C2CCC2)cn1 ZINC001138707166 1131539344 /nfs/dbraw/zinc/53/93/44/1131539344.db2.gz MNRLQMYTTKGQSU-UHFFFAOYSA-N 0 1 299.443 3.753 20 0 CHADMN COc1ccccc1CN(C)Cc1ccc2c(c1)CCCO2 ZINC001138715825 1131540719 /nfs/dbraw/zinc/54/07/19/1131540719.db2.gz UDOHINLSUJKGRW-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN COc1cc(C)c(CN(C)Cc2cccnc2)c(C)c1C ZINC001138723334 1131541062 /nfs/dbraw/zinc/54/10/62/1131541062.db2.gz OLRCYSVSAHPOIB-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN CCCC1CCN(Cc2ccnn2[C@H]2CCCCO2)CC1 ZINC001138780181 1131548222 /nfs/dbraw/zinc/54/82/22/1131548222.db2.gz QTUKDHSHDYZSDM-QGZVFWFLSA-N 0 1 291.439 3.594 20 0 CHADMN c1csc(C2CCN(Cc3cccc4ccnn43)CC2)c1 ZINC001138805573 1131551525 /nfs/dbraw/zinc/55/15/25/1131551525.db2.gz CSNNEVQUWPRHKY-UHFFFAOYSA-N 0 1 297.427 3.775 20 0 CHADMN CC(C)=CC(=O)Nc1cc(Cl)c(C)c(Cl)c1O ZINC001143926019 1131551957 /nfs/dbraw/zinc/55/19/57/1131551957.db2.gz JXWRUVDJLIOBTM-UHFFFAOYSA-N 0 1 274.147 3.912 20 0 CHADMN CC1(C)CN(Cc2ccc3occc3c2)CC(C)(C)O1 ZINC001138824866 1131553397 /nfs/dbraw/zinc/55/33/97/1131553397.db2.gz HILJUKHANDKAGO-UHFFFAOYSA-N 0 1 273.376 3.822 20 0 CHADMN COc1cccc2c1CCN(Cc1ccc3occc3c1)C2 ZINC001138825921 1131553408 /nfs/dbraw/zinc/55/34/08/1131553408.db2.gz ISPJICXGAQNZOH-UHFFFAOYSA-N 0 1 293.366 4.000 20 0 CHADMN CC(C)(C(=O)NOC1CCC1)c1cccc2ccccc21 ZINC000832332948 1131554539 /nfs/dbraw/zinc/55/45/39/1131554539.db2.gz PQFOCHTXFPKBEQ-UHFFFAOYSA-N 0 1 283.371 3.718 20 0 CHADMN CC(=O)C1CCN(Cc2c[nH]c3c2cccc3Cl)CC1 ZINC001138833674 1131554541 /nfs/dbraw/zinc/55/45/41/1131554541.db2.gz JKDUOYWWCFCGRT-UHFFFAOYSA-N 0 1 290.794 3.622 20 0 CHADMN Cc1c(CN2CCCO[C@@H](C)C2)cccc1C(F)(F)F ZINC001143922859 1131555190 /nfs/dbraw/zinc/55/51/90/1131555190.db2.gz ODAGMXZFLFUHLX-NSHDSACASA-N 0 1 287.325 3.625 20 0 CHADMN Cc1c(CN2CCCO[C@H](C)C2)cccc1C(F)(F)F ZINC001143922858 1131555335 /nfs/dbraw/zinc/55/53/35/1131555335.db2.gz ODAGMXZFLFUHLX-LLVKDONJSA-N 0 1 287.325 3.625 20 0 CHADMN CCOc1ccc(F)c(CN2CCC[C@H]2CC)c1F ZINC001143937229 1131556470 /nfs/dbraw/zinc/55/64/70/1131556470.db2.gz FHWXYHFPDJEADO-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN COC[C@@]12CCC[C@@H]1CN(Cc1csc(C(C)C)n1)C2 ZINC001138884007 1131557304 /nfs/dbraw/zinc/55/73/04/1131557304.db2.gz MEGRNAUCWPZCJY-CJNGLKHVSA-N 0 1 294.464 3.515 20 0 CHADMN Fc1ccc(Cl)c(CN2C[C@H]3CCC[C@@H]3C2)c1F ZINC001143946674 1131558077 /nfs/dbraw/zinc/55/80/77/1131558077.db2.gz UNOATSVQGGUNGX-NXEZZACHSA-N 0 1 271.738 3.850 20 0 CHADMN FC1(F)[C@H]2CN(CCSc3ccc(Cl)cc3)C[C@H]21 ZINC000844450581 1131561800 /nfs/dbraw/zinc/56/18/00/1131561800.db2.gz HNUNIRZBFQCNEG-TXEJJXNPSA-N 0 1 289.778 3.629 20 0 CHADMN FC1(F)C[C@]12CCCN(Cc1ccccc1Cl)C2 ZINC000844437175 1131564108 /nfs/dbraw/zinc/56/41/08/1131564108.db2.gz STXRZKPYNXYWBK-ZDUSSCGKSA-N 0 1 271.738 3.961 20 0 CHADMN CC(=O)c1cccc(CN2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844444287 1131566226 /nfs/dbraw/zinc/56/62/26/1131566226.db2.gz OUXJRWLKFWKQGV-OAHLLOKOSA-N 0 1 279.330 3.510 20 0 CHADMN C[C@@H]1CCC(C)(C)N1Cc1cccc(Br)n1 ZINC000832565570 1131568886 /nfs/dbraw/zinc/56/88/86/1131568886.db2.gz VJHMNZHRUFMCOR-SNVBAGLBSA-N 0 1 283.213 3.607 20 0 CHADMN CCOc1c(F)cc(CN2CC[C@@H](C)C[C@H]2C)cc1F ZINC001144030546 1131570917 /nfs/dbraw/zinc/57/09/17/1131570917.db2.gz CZZXPTKLWISOLF-VXGBXAGGSA-N 0 1 283.362 3.984 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CCC(OCC)CC1 ZINC001139009059 1131571338 /nfs/dbraw/zinc/57/13/38/1131571338.db2.gz CJSBIBHHZCELTJ-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN CCOc1c(F)cc(CN2CC[C@@H]3CCC[C@@H]3C2)cc1F ZINC001144018796 1131571401 /nfs/dbraw/zinc/57/14/01/1131571401.db2.gz SYFRCLNCLAHHHM-UONOGXRCSA-N 0 1 295.373 3.986 20 0 CHADMN FC(F)(F)c1ccc(CN2CC3(C2)CCCCC3)nc1 ZINC001139017240 1131572293 /nfs/dbraw/zinc/57/22/93/1131572293.db2.gz SIZWVNDNZFHDSA-UHFFFAOYSA-N 0 1 284.325 3.867 20 0 CHADMN FC(F)(F)c1ccc(CN2CC(c3ccccc3)C2)nc1 ZINC001139014996 1131572318 /nfs/dbraw/zinc/57/23/18/1131572318.db2.gz RDOSACQXHRQIFN-UHFFFAOYSA-N 0 1 292.304 3.700 20 0 CHADMN CCOc1c(F)cc(CN2CCC(CC)CC2)cc1F ZINC001144023107 1131573090 /nfs/dbraw/zinc/57/30/90/1131573090.db2.gz PJQORVNXKYKTDK-UHFFFAOYSA-N 0 1 283.362 3.986 20 0 CHADMN CCCC[C@@H](CC)CC(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC001144024697 1131573444 /nfs/dbraw/zinc/57/34/44/1131573444.db2.gz NETRVUMOWNFQRM-HZPDHXFCSA-N 0 1 296.499 3.782 20 0 CHADMN CCCC[C@@H](CC)CC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC001144024697 1131573446 /nfs/dbraw/zinc/57/34/46/1131573446.db2.gz NETRVUMOWNFQRM-HZPDHXFCSA-N 0 1 296.499 3.782 20 0 CHADMN C[C@H](CC(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1)CC(C)(C)C ZINC001144024328 1131573511 /nfs/dbraw/zinc/57/35/11/1131573511.db2.gz JUQMLHWEJSKFKO-HUUCEWRRSA-N 0 1 296.499 3.638 20 0 CHADMN C[C@H](CC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1)CC(C)(C)C ZINC001144024328 1131573513 /nfs/dbraw/zinc/57/35/13/1131573513.db2.gz JUQMLHWEJSKFKO-HUUCEWRRSA-N 0 1 296.499 3.638 20 0 CHADMN CN(CCF)Cc1cccc(-c2ccc(F)cc2)c1 ZINC001139069071 1131579329 /nfs/dbraw/zinc/57/93/29/1131579329.db2.gz DCWKMJVYBGUOOM-UHFFFAOYSA-N 0 1 261.315 3.894 20 0 CHADMN COc1ccc(CN(CC2CC2)C2CC2)c(Cl)c1OC ZINC001139118453 1131581985 /nfs/dbraw/zinc/58/19/85/1131581985.db2.gz BVPKERMNLBTAOJ-UHFFFAOYSA-N 0 1 295.810 3.732 20 0 CHADMN CCn1ccc2ccc(CN3CCc4occc4C3)cc21 ZINC001139124266 1131584827 /nfs/dbraw/zinc/58/48/27/1131584827.db2.gz MPMJFNVPRHYKOV-UHFFFAOYSA-N 0 1 280.371 3.813 20 0 CHADMN CN(CCc1ccccn1)Cc1cc(Cl)c(F)cc1F ZINC001144120253 1131588264 /nfs/dbraw/zinc/58/82/64/1131588264.db2.gz FRIYTIJIJXSESF-UHFFFAOYSA-N 0 1 296.748 3.688 20 0 CHADMN Clc1cc2c(cc1Cl)C[C@@H](NCc1cocn1)CC2 ZINC001171143869 1131589849 /nfs/dbraw/zinc/58/98/49/1131589849.db2.gz LCONIQIVYQUBFO-NSHDSACASA-N 0 1 297.185 3.629 20 0 CHADMN CCOc1ccc(CN[C@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC001202903699 1131589805 /nfs/dbraw/zinc/58/98/05/1131589805.db2.gz UFTOCIMVXAEUKR-ZWKOTPCHSA-N 0 1 285.362 3.812 20 0 CHADMN Cc1ccc(CN(C)Cc2c[nH]c3cccc(C)c23)cn1 ZINC001139199879 1131594950 /nfs/dbraw/zinc/59/49/50/1131594950.db2.gz TVVYVJHCCGGXPZ-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc3nsnc3c2)Cc2ccccc21 ZINC001139208016 1131597548 /nfs/dbraw/zinc/59/75/48/1131597548.db2.gz KVEILUJKJVDQGS-GFCCVEGCSA-N 0 1 295.411 3.811 20 0 CHADMN C[C@@H]1CN(Cc2ccc3nsnc3c2)Cc2ccccc21 ZINC001139208016 1131597552 /nfs/dbraw/zinc/59/75/52/1131597552.db2.gz KVEILUJKJVDQGS-GFCCVEGCSA-N 0 1 295.411 3.811 20 0 CHADMN CC1(C)CN(Cc2ccc3nonc3c2)Cc2ccccc21 ZINC001139222189 1131598406 /nfs/dbraw/zinc/59/84/06/1131598406.db2.gz GSRWSUVLFPBTTN-UHFFFAOYSA-N 0 1 293.370 3.516 20 0 CHADMN CN(Cc1ccc(-n2cccc2)cc1)Cc1cccnc1 ZINC001144238490 1131599843 /nfs/dbraw/zinc/59/98/43/1131599843.db2.gz REQORESJGHPRGD-UHFFFAOYSA-N 0 1 277.371 3.504 20 0 CHADMN CN(Cc1sccc1Br)C[C@@H]1CC1(C)C ZINC001139313566 1131601803 /nfs/dbraw/zinc/60/18/03/1131601803.db2.gz DMCZZPCCFZDFOI-VIFPVBQESA-N 0 1 288.254 3.989 20 0 CHADMN CC(C)[C@H](N)c1noc([C@H](C)c2ccc(Cl)cc2)n1 ZINC000844906476 1131606967 /nfs/dbraw/zinc/60/69/67/1131606967.db2.gz OTXHPSJVHOWEFH-SKDRFNHKSA-N 0 1 279.771 3.531 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccc(O)cn1 ZINC001144265565 1131607205 /nfs/dbraw/zinc/60/72/05/1131607205.db2.gz PQGJILXZQXUZDP-NSHDSACASA-N 0 1 276.767 3.634 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@]3(C)C[C@@H]4C=C[C@H]3C4)cc(F)c12 ZINC001144277326 1131609244 /nfs/dbraw/zinc/60/92/44/1131609244.db2.gz KKPKBKFXKROYPC-RLFDGXBXSA-N 0 1 299.349 3.551 20 0 CHADMN FC[C@H]1CCCN1Cc1ccc(-c2ccsc2)nc1 ZINC001139502863 1131611614 /nfs/dbraw/zinc/61/16/14/1131611614.db2.gz XHANFXAYNLRCCI-CQSZACIVSA-N 0 1 276.380 3.744 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1cccc(Cl)n1 ZINC001139552427 1131615546 /nfs/dbraw/zinc/61/55/46/1131615546.db2.gz XFNUKGCLNPNQHK-RMKNXTFCSA-N 0 1 272.779 3.880 20 0 CHADMN Fc1ccc([C@@H]2CCN(Cc3cc(Cl)ccn3)C2)cc1 ZINC001139566079 1131616460 /nfs/dbraw/zinc/61/64/60/1131616460.db2.gz PDIUXEHMJAOZDT-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN CCc1cccc(C[N@H+]2CCc3ncc(C)cc3C2)c1 ZINC001144326472 1131618447 /nfs/dbraw/zinc/61/84/47/1131618447.db2.gz BBTNEQIABLECCV-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN CCc1cccc(CN2CCc3ncc(C)cc3C2)c1 ZINC001144326472 1131618450 /nfs/dbraw/zinc/61/84/50/1131618450.db2.gz BBTNEQIABLECCV-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN CCc1cccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC001144326440 1131618693 /nfs/dbraw/zinc/61/86/93/1131618693.db2.gz AAKQZIRZNZNIGJ-UHFFFAOYSA-N 0 1 283.371 3.610 20 0 CHADMN CCOc1ccc(C)cc1CN(CC)Cc1ccncc1 ZINC001139602811 1131620325 /nfs/dbraw/zinc/62/03/25/1131620325.db2.gz WDKIYWSOFACGLU-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN COc1cc(CN2CCC(C)(F)CC2)ccc1Cl ZINC001139611739 1131621457 /nfs/dbraw/zinc/62/14/57/1131621457.db2.gz BTMDMYMBQJTQMH-UHFFFAOYSA-N 0 1 271.763 3.673 20 0 CHADMN COc1ccc(CN2CC(c3cccnc3)C2)cc1C(C)C ZINC001139622322 1131623649 /nfs/dbraw/zinc/62/36/49/1131623649.db2.gz WKCUUIHSOIKJLY-UHFFFAOYSA-N 0 1 296.414 3.813 20 0 CHADMN F[C@H]1CCCCN(Cc2c[nH]c3nc(Cl)ccc23)C1 ZINC001144410431 1131626222 /nfs/dbraw/zinc/62/62/22/1131626222.db2.gz OWGRLDWIDLEOFP-NSHDSACASA-N 0 1 281.762 3.540 20 0 CHADMN F[C@@H]1CCCCN(Cc2c[nH]c3nc(Cl)ccc23)C1 ZINC001144410430 1131626375 /nfs/dbraw/zinc/62/63/75/1131626375.db2.gz OWGRLDWIDLEOFP-LLVKDONJSA-N 0 1 281.762 3.540 20 0 CHADMN Cc1cccc(CCN(C)Cc2ccnc(Cl)c2F)c1 ZINC001139664594 1131626511 /nfs/dbraw/zinc/62/65/11/1131626511.db2.gz XRTVIOHHCJJUDO-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN C[C@@H]1CCCN(Cc2ccnc(Cl)c2F)C[C@H]1C ZINC001139660959 1131626577 /nfs/dbraw/zinc/62/65/77/1131626577.db2.gz JNECSKWFPJZYMZ-GHMZBOCLSA-N 0 1 270.779 3.742 20 0 CHADMN Cc1nc2cc(C)ccn2c1C[N@H+](C)Cc1ccc(F)cc1 ZINC001139674210 1131627531 /nfs/dbraw/zinc/62/75/31/1131627531.db2.gz PDXROMOLYOOWNO-UHFFFAOYSA-N 0 1 297.377 3.722 20 0 CHADMN Cc1nc2cc(C)ccn2c1CN(C)Cc1ccc(F)cc1 ZINC001139674210 1131627532 /nfs/dbraw/zinc/62/75/32/1131627532.db2.gz PDXROMOLYOOWNO-UHFFFAOYSA-N 0 1 297.377 3.722 20 0 CHADMN CCC1(C[N@H+]2CCC[C@H]2c2cc(F)ccc2F)COC1 ZINC001202958862 1131627843 /nfs/dbraw/zinc/62/78/43/1131627843.db2.gz XKFGUTGNSSGNFJ-HNNXBMFYSA-N 0 1 281.346 3.528 20 0 CHADMN Cc1nc2cc(C)ccn2c1C[N@H+](C)Cc1ccccc1 ZINC001139674622 1131627851 /nfs/dbraw/zinc/62/78/51/1131627851.db2.gz YKZPQOROBHCSOK-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN Cc1nc2cc(C)ccn2c1CN(C)Cc1ccccc1 ZINC001139674622 1131627853 /nfs/dbraw/zinc/62/78/53/1131627853.db2.gz YKZPQOROBHCSOK-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN Cc1nc2cc(C)ccn2c1CN(C)Cc1ccc(C)cc1 ZINC001139681501 1131627956 /nfs/dbraw/zinc/62/79/56/1131627956.db2.gz XYJKDSOILDYRJP-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN Cc1cc(O)cc(C)c1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC001139713792 1131631027 /nfs/dbraw/zinc/63/10/27/1131631027.db2.gz IWBVRVUOYALIGD-LJQANCHMSA-N 0 1 297.398 3.583 20 0 CHADMN Cc1cc(O)cc(C)c1CN1CCO[C@@H](c2ccccc2)C1 ZINC001139713792 1131631029 /nfs/dbraw/zinc/63/10/29/1131631029.db2.gz IWBVRVUOYALIGD-LJQANCHMSA-N 0 1 297.398 3.583 20 0 CHADMN CCc1ccc(CN(C)Cc2cnc3cccnc3c2)cc1 ZINC001139742432 1131633009 /nfs/dbraw/zinc/63/30/09/1131633009.db2.gz BSXWFIPVIDZSQT-UHFFFAOYSA-N 0 1 291.398 3.824 20 0 CHADMN Cc1ccc(CN2C[C@H]3CC[C@@H]2C3)cc1Br ZINC001139730115 1131633200 /nfs/dbraw/zinc/63/32/00/1131633200.db2.gz GFYMUBWLSXJSOG-WCQYABFASA-N 0 1 280.209 3.742 20 0 CHADMN CN(Cc1ccc(Cl)cc1)Cc1cnc2cccnc2c1 ZINC001139740496 1131633632 /nfs/dbraw/zinc/63/36/32/1131633632.db2.gz CODOMFWNLWHQLB-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN OC1CC2(C1)CN(Cc1ccc3oc4ccccc4c3c1)C2 ZINC001139751276 1131634112 /nfs/dbraw/zinc/63/41/12/1131634112.db2.gz IPQJTKQVJPAEON-UHFFFAOYSA-N 0 1 293.366 3.543 20 0 CHADMN COc1ncc(Cl)cc1CN1CCC[C@@H]2CCCC[C@H]21 ZINC001139749861 1131634996 /nfs/dbraw/zinc/63/49/96/1131634996.db2.gz MFWMXKSEKAIPSS-SWLSCSKDSA-N 0 1 294.826 3.898 20 0 CHADMN CCCN(Cc1cnc(OC)s1)Cc1ccccc1 ZINC001139817534 1131639346 /nfs/dbraw/zinc/63/93/46/1131639346.db2.gz WMSBDECOASGWNU-UHFFFAOYSA-N 0 1 276.405 3.564 20 0 CHADMN COCc1ccc(CN(C)Cc2cccc(F)c2)s1 ZINC001139823691 1131639408 /nfs/dbraw/zinc/63/94/08/1131639408.db2.gz CSSPJTAXEUSIFA-UHFFFAOYSA-N 0 1 279.380 3.666 20 0 CHADMN COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2C)c1 ZINC001144479186 1131641327 /nfs/dbraw/zinc/64/13/27/1131641327.db2.gz RLXPTMPIPIBUSP-LLVKDONJSA-N 0 1 253.773 3.723 20 0 CHADMN COc1cc(Cl)cc(CN2CCCC[C@H]2C)c1 ZINC001144479186 1131641330 /nfs/dbraw/zinc/64/13/30/1131641330.db2.gz RLXPTMPIPIBUSP-LLVKDONJSA-N 0 1 253.773 3.723 20 0 CHADMN C[C@H]1CCN(Cc2ccncc2Cl)CCC1(F)F ZINC001139845416 1131641490 /nfs/dbraw/zinc/64/14/90/1131641490.db2.gz ACYKCIXWUGHLPA-JTQLQIEISA-N 0 1 274.742 3.602 20 0 CHADMN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](F)CC2)c1 ZINC001144478086 1131641527 /nfs/dbraw/zinc/64/15/27/1131641527.db2.gz ANJLUTQWBWBBTE-CYBMUJFWSA-N 0 1 271.763 3.673 20 0 CHADMN COc1cc(Cl)cc(CN2CCC[C@@H](F)CC2)c1 ZINC001144478086 1131641528 /nfs/dbraw/zinc/64/15/28/1131641528.db2.gz ANJLUTQWBWBBTE-CYBMUJFWSA-N 0 1 271.763 3.673 20 0 CHADMN c1ccc2c(c1)oc1c2cccc1CN(C1CC1)C1COC1 ZINC001139858556 1131642725 /nfs/dbraw/zinc/64/27/25/1131642725.db2.gz MGNINDCIMVTUGZ-UHFFFAOYSA-N 0 1 293.366 3.949 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1CN1CCC(F)CC1 ZINC001139883758 1131646642 /nfs/dbraw/zinc/64/66/42/1131646642.db2.gz HCMZJBIPLSYFKW-UHFFFAOYSA-N 0 1 275.289 3.948 20 0 CHADMN c1ccc2c(c1)cncc2CN1CCCCC12CC2 ZINC001139896530 1131648704 /nfs/dbraw/zinc/64/87/04/1131648704.db2.gz DFIVAQLHFARTBP-UHFFFAOYSA-N 0 1 252.361 3.753 20 0 CHADMN Cc1ccc(CN2CCC[C@H](Sc3ccncc3)C2)cn1 ZINC001139932918 1131650788 /nfs/dbraw/zinc/65/07/88/1131650788.db2.gz ZAKTYQSJEPUJDQ-KRWDZBQOSA-N 0 1 299.443 3.542 20 0 CHADMN c1ccc2cc(CN3CCC[C@@H]3c3ccncc3)ncc2c1 ZINC001139997678 1131654811 /nfs/dbraw/zinc/65/48/11/1131654811.db2.gz IUMMAAXXNYDVHU-LJQANCHMSA-N 0 1 289.382 3.967 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC001140048956 1131658627 /nfs/dbraw/zinc/65/86/27/1131658627.db2.gz SHTPZVRINCDAEN-QGZVFWFLSA-N 0 1 271.335 3.868 20 0 CHADMN Oc1ccc(F)c(CN2CCC[C@@H]2c2ccccc2)c1 ZINC001140048956 1131658628 /nfs/dbraw/zinc/65/86/28/1131658628.db2.gz SHTPZVRINCDAEN-QGZVFWFLSA-N 0 1 271.335 3.868 20 0 CHADMN CCC(CC)[N@H+](CC)Cc1c(F)cc([O-])cc1F ZINC001144560259 1131658796 /nfs/dbraw/zinc/65/87/96/1131658796.db2.gz XUZHEQROEIMKSI-UHFFFAOYSA-N 0 1 257.324 3.681 20 0 CHADMN CCC(CC)[N@@H+](CC)Cc1c(F)cc([O-])cc1F ZINC001144560259 1131658799 /nfs/dbraw/zinc/65/87/99/1131658799.db2.gz XUZHEQROEIMKSI-UHFFFAOYSA-N 0 1 257.324 3.681 20 0 CHADMN [O-]c1cc(F)c(C[NH+]2CCCCCCCC2)c(F)c1 ZINC001144561662 1131659079 /nfs/dbraw/zinc/65/90/79/1131659079.db2.gz KUYNRRZREARSCQ-UHFFFAOYSA-N 0 1 269.335 3.827 20 0 CHADMN COc1c(Cl)cccc1C[N@H+]1CCCC[C@H](C)C1 ZINC001140056669 1131659614 /nfs/dbraw/zinc/65/96/14/1131659614.db2.gz GOKVBFSAHRHMDI-LBPRGKRZSA-N 0 1 267.800 3.971 20 0 CHADMN COc1ccc2n[nH]c(CN(C)Cc3cccc(C)c3)c2c1 ZINC001140065351 1131661857 /nfs/dbraw/zinc/66/18/57/1131661857.db2.gz FNOBPGZQYCYVPO-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(C(F)(F)F)ccn2)C1 ZINC001140108822 1131664531 /nfs/dbraw/zinc/66/45/31/1131664531.db2.gz PLXHNORRTMYTBD-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN Cc1ccc(CNCc2ccc([C@@H](C)O)cc2)c(Cl)c1 ZINC000845924703 1131670649 /nfs/dbraw/zinc/67/06/49/1131670649.db2.gz CJCGHLBEXSEBMW-CYBMUJFWSA-N 0 1 289.806 3.992 20 0 CHADMN F[C@H]1CN(Cc2ccc(-c3ccncc3)cc2)C[C@@H]2C[C@@H]21 ZINC001140168537 1131670993 /nfs/dbraw/zinc/67/09/93/1131670993.db2.gz GGPVANNBQMTVHU-BZSNNMDCSA-N 0 1 282.362 3.538 20 0 CHADMN Cc1ccc(CNCc2ccc([C@H](C)O)cc2)c(Cl)c1 ZINC000845924704 1131671034 /nfs/dbraw/zinc/67/10/34/1131671034.db2.gz CJCGHLBEXSEBMW-ZDUSSCGKSA-N 0 1 289.806 3.992 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(-c3ccncc3)cc2)CCC1=O ZINC001140168779 1131671164 /nfs/dbraw/zinc/67/11/64/1131671164.db2.gz LHUXWPQRBVKHQD-OAHLLOKOSA-N 0 1 294.398 3.550 20 0 CHADMN Cc1ccc(CN[C@@H](CCO)c2cccs2)c(Cl)c1 ZINC000845939874 1131671778 /nfs/dbraw/zinc/67/17/78/1131671778.db2.gz AHBTVRLEJYIYAK-AWEZNQCLSA-N 0 1 295.835 3.923 20 0 CHADMN Cc1nn(-c2cccc(C)c2)cc1CN[C@H](C)c1ccc[nH]1 ZINC000845947050 1131672551 /nfs/dbraw/zinc/67/25/51/1131672551.db2.gz JNKLTAGPVIMGFA-OAHLLOKOSA-N 0 1 294.402 3.668 20 0 CHADMN Cc1cc(Cl)nc(CNCc2cccc3c2CCC3)c1 ZINC000845968567 1131672736 /nfs/dbraw/zinc/67/27/36/1131672736.db2.gz JQRBFIYKDCIBSH-UHFFFAOYSA-N 0 1 286.806 3.822 20 0 CHADMN CCC[C@H]1CC[C@H](C(=O)NCc2[nH]nc3ccccc32)CC1 ZINC001144642229 1131675416 /nfs/dbraw/zinc/67/54/16/1131675416.db2.gz AEZMBYBZSSDTDR-HDJSIYSDSA-N 0 1 299.418 3.786 20 0 CHADMN C[C@H]1C[N@@H+](Cc2sccc2C(=O)[O-])Cc2ccccc21 ZINC001144666203 1131677137 /nfs/dbraw/zinc/67/71/37/1131677137.db2.gz WWBJPANJRPSUAP-NSHDSACASA-N 0 1 287.384 3.566 20 0 CHADMN CN(Cc1c[nH]c2cccc(O)c12)Cc1cccc(F)c1 ZINC001140230047 1131680107 /nfs/dbraw/zinc/68/01/07/1131680107.db2.gz MEBZRMJHODWGNT-UHFFFAOYSA-N 0 1 284.334 3.645 20 0 CHADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)CCCCCC(C)(C)C ZINC001144678669 1131680973 /nfs/dbraw/zinc/68/09/73/1131680973.db2.gz GTBXSPNYNCQGPM-LSDHHAIUSA-N 0 1 282.472 3.534 20 0 CHADMN CC(C)(C)CCCCCC(=O)N1CCN(C(C)(C)C)CC1 ZINC001144683121 1131682970 /nfs/dbraw/zinc/68/29/70/1131682970.db2.gz GDQQLPIVKYRNKM-UHFFFAOYSA-N 0 1 296.499 3.926 20 0 CHADMN O=C1CCN(Cc2ccc3c(c2)CCC3)[C@@H]2CCCC[C@H]12 ZINC001203019388 1131685361 /nfs/dbraw/zinc/68/53/61/1131685361.db2.gz PQMRPPXVKAHGPX-ZWKOTPCHSA-N 0 1 283.415 3.509 20 0 CHADMN O=C1CCN(Cc2cccc3cc[nH]c32)[C@@H]2CCCC[C@@H]12 ZINC001144705499 1131685657 /nfs/dbraw/zinc/68/56/57/1131685657.db2.gz NADHKNAEGKDFOW-HZPDHXFCSA-N 0 1 282.387 3.502 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)ccc1F ZINC000846110042 1131687659 /nfs/dbraw/zinc/68/76/59/1131687659.db2.gz YTDCSJGBACPRIQ-AWEZNQCLSA-N 0 1 269.310 3.755 20 0 CHADMN CCN(c1ccc(N[C@@H](C)Cc2cnccn2)cc1)C(C)C ZINC000834705075 1131696279 /nfs/dbraw/zinc/69/62/79/1131696279.db2.gz IEMCDVCLPNFUND-HNNXBMFYSA-N 0 1 298.434 3.754 20 0 CHADMN c1nc2cc(CN3CCc4ccccc4C3)ccc2s1 ZINC001144732526 1131696589 /nfs/dbraw/zinc/69/65/89/1131696589.db2.gz YXAPPUAHHIETSF-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN Cc1ccc2[nH]nc(CN(C)Cc3ccccc3)c2c1 ZINC001140327404 1131697561 /nfs/dbraw/zinc/69/75/61/1131697561.db2.gz AFBBZIJCGVYIRC-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN Cc1ccc2n[nH]c(CN(C)Cc3ccccc3)c2c1 ZINC001140327404 1131697563 /nfs/dbraw/zinc/69/75/63/1131697563.db2.gz AFBBZIJCGVYIRC-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN Cc1ccc2n[nH]c(CN(C)Cc3cccc(C)c3)c2c1 ZINC001140328014 1131698014 /nfs/dbraw/zinc/69/80/14/1131698014.db2.gz PRVFXTWADAJMHQ-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN Cc1ccc2[nH]nc(CN(C)Cc3cccc(C)c3)c2c1 ZINC001140328014 1131698016 /nfs/dbraw/zinc/69/80/16/1131698016.db2.gz PRVFXTWADAJMHQ-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN CC1(C)CN(Cc2ccc3scnc3c2)CC(C)(C)O1 ZINC001144744576 1131699383 /nfs/dbraw/zinc/69/93/83/1131699383.db2.gz ZWFHKDIPFQYCSH-UHFFFAOYSA-N 0 1 290.432 3.686 20 0 CHADMN Cc1ccc2[nH]nc(CN3CCC[C@@H]3c3ccccn3)c2c1 ZINC001140330448 1131700361 /nfs/dbraw/zinc/70/03/61/1131700361.db2.gz AOQWOBRGWARMAP-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCC[C@@H]3c3ccccn3)c2c1 ZINC001140330448 1131700364 /nfs/dbraw/zinc/70/03/64/1131700364.db2.gz AOQWOBRGWARMAP-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN C/C(=C\C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000846235416 1131701357 /nfs/dbraw/zinc/70/13/57/1131701357.db2.gz FJHJUTHZQDXDFP-HVJHFUJKSA-N 0 1 285.387 3.559 20 0 CHADMN C/C(=C\C[N@@H+](Cc1ccccc1)C1CCCCC1)C(=O)[O-] ZINC000846237940 1131703079 /nfs/dbraw/zinc/70/30/79/1131703079.db2.gz OAUTTYWKOWAKAM-NTCAYCPXSA-N 0 1 287.403 3.852 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCCCCCC1 ZINC001144755303 1131703523 /nfs/dbraw/zinc/70/35/23/1131703523.db2.gz WLACFYVNMZWFKW-UHFFFAOYSA-N 0 1 269.335 3.740 20 0 CHADMN C/C(=C/C[N@H+]1CCC[C@@H]1CCC1CCCCC1)C(=O)[O-] ZINC000846254596 1131703946 /nfs/dbraw/zinc/70/39/46/1131703946.db2.gz QVBHBFIAWIDFRL-SYCZXOQXSA-N 0 1 279.424 3.842 20 0 CHADMN C/C(=C\C[N@H+]1CCC[C@@H]1CCC1CCCCC1)C(=O)[O-] ZINC000846254604 1131703950 /nfs/dbraw/zinc/70/39/50/1131703950.db2.gz QVBHBFIAWIDFRL-WSYSLRRZSA-N 0 1 279.424 3.842 20 0 CHADMN O=C([O-])CC[N@H+](Cc1cc2ccccc2s1)CC1CC1 ZINC000846268180 1131705053 /nfs/dbraw/zinc/70/50/53/1131705053.db2.gz YJFBMSLMBRHUDU-UHFFFAOYSA-N 0 1 289.400 3.588 20 0 CHADMN C[C@H]1Cc2ccccc2[C@H]1NCc1cc(F)cnc1Cl ZINC000834839941 1131711248 /nfs/dbraw/zinc/71/12/48/1131711248.db2.gz FZAKJOCPJVMWCY-BONVTDFDSA-N 0 1 290.769 3.897 20 0 CHADMN C[N@@H+](CCC1CC1)Cc1cnc(-c2ccccc2F)nc1 ZINC001140405241 1131714036 /nfs/dbraw/zinc/71/40/36/1131714036.db2.gz MZXJWQBJTVBOAK-UHFFFAOYSA-N 0 1 285.366 3.515 20 0 CHADMN CCc1ccccc1O[C@@H]1CC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001227680659 1131722767 /nfs/dbraw/zinc/72/27/67/1131722767.db2.gz DRPGJIBOXDZROJ-DOTOQJQBSA-N 0 1 296.414 3.858 20 0 CHADMN CCc1ncc(CN[C@@H](c2ccccc2C)C2CC2)o1 ZINC000834898296 1131722957 /nfs/dbraw/zinc/72/29/57/1131722957.db2.gz BLVCUKFBCBHQPH-QGZVFWFLSA-N 0 1 270.376 3.786 20 0 CHADMN CCc1nc(CN[C@H](C)C(C)(C)c2ccccc2)co1 ZINC000834899087 1131724319 /nfs/dbraw/zinc/72/43/19/1131724319.db2.gz ONOMFSICNSHXQG-CYBMUJFWSA-N 0 1 272.392 3.693 20 0 CHADMN Cc1cccc(OCCCN[C@@H](C)c2cscn2)c1 ZINC000772952275 1131725014 /nfs/dbraw/zinc/72/50/14/1131725014.db2.gz QTSCULRSXOYKRO-ZDUSSCGKSA-N 0 1 276.405 3.571 20 0 CHADMN CC[C@H]1CCCCN1Cc1cnc2ccc(Cl)cn12 ZINC001140432155 1131735523 /nfs/dbraw/zinc/73/55/23/1131735523.db2.gz YRZPNNOTVIAQIM-ZDUSSCGKSA-N 0 1 277.799 3.752 20 0 CHADMN Clc1nc(CN2CCCSCC2)cc2ccccc21 ZINC000794563869 1131744686 /nfs/dbraw/zinc/74/46/86/1131744686.db2.gz YLMFXHOWOXWDNQ-UHFFFAOYSA-N 0 1 292.835 3.827 20 0 CHADMN Cc1cccc(Br)c1O[C@@H]1CCN(C(C)C)C1 ZINC001227806751 1131744851 /nfs/dbraw/zinc/74/48/51/1131744851.db2.gz YHDISPPZBQBFSY-GFCCVEGCSA-N 0 1 298.224 3.619 20 0 CHADMN CC(=O)C1CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000846946712 1131762111 /nfs/dbraw/zinc/76/21/11/1131762111.db2.gz LVEUGTLCHXTSHW-INIZCTEOSA-N 0 1 277.795 3.628 20 0 CHADMN CC(=O)C1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000846952691 1131763852 /nfs/dbraw/zinc/76/38/52/1131763852.db2.gz HSRFGXSRYHGUSL-NSHDSACASA-N 0 1 265.784 3.702 20 0 CHADMN CC[N@@H+](Cc1ccc(C)cc1)Cc1ccccc1C(=O)[O-] ZINC001140504400 1131771090 /nfs/dbraw/zinc/77/10/90/1131771090.db2.gz QVCAGRCFQAVJHS-UHFFFAOYSA-N 0 1 283.371 3.715 20 0 CHADMN CCc1csc(CC2CCN(C/C=C\Cl)CC2)n1 ZINC000847034240 1131771217 /nfs/dbraw/zinc/77/12/17/1131771217.db2.gz MVDORUVIRVLZEU-UTCJRWHESA-N 0 1 284.856 3.713 20 0 CHADMN CC[N@@H+](Cc1ccccc1F)Cc1ccccc1C(=O)[O-] ZINC001140504000 1131771210 /nfs/dbraw/zinc/77/12/10/1131771210.db2.gz SFOOTNSKFGZDNT-UHFFFAOYSA-N 0 1 287.334 3.546 20 0 CHADMN C[N@@H+](Cc1ccccc1C(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC001140506453 1131772107 /nfs/dbraw/zinc/77/21/07/1131772107.db2.gz LEVRWSVTVFEJFQ-UHFFFAOYSA-N 0 1 299.414 3.785 20 0 CHADMN CC(C)(C)c1cccc(NC(=O)c2[nH]nc3ncccc32)c1 ZINC001149400536 1131777036 /nfs/dbraw/zinc/77/70/36/1131777036.db2.gz CSHFPCCEXTWFDM-UHFFFAOYSA-N 0 1 294.358 3.508 20 0 CHADMN Fc1cc(Cl)cc(CN2CC[C@@H](c3ccncc3)C2)c1 ZINC001140538045 1131783711 /nfs/dbraw/zinc/78/37/11/1131783711.db2.gz CKVAYDGTXAWOJX-CQSZACIVSA-N 0 1 290.769 3.864 20 0 CHADMN OCCN(Cc1cccs1)Cc1cc(F)cc(Cl)c1 ZINC001140538875 1131783875 /nfs/dbraw/zinc/78/38/75/1131783875.db2.gz YAXKOBMPJNUDNG-UHFFFAOYSA-N 0 1 299.798 3.535 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3cc(F)cc(Cl)c3)C[C@@H]21 ZINC001140538577 1131783995 /nfs/dbraw/zinc/78/39/95/1131783995.db2.gz HGJKVRHEJAFELY-BETUJISGSA-N 0 1 253.748 3.567 20 0 CHADMN Cc1ccc(/C=C/CC(=O)NOc2ccc(F)cc2)cc1 ZINC001146552440 1131792872 /nfs/dbraw/zinc/79/28/72/1131792872.db2.gz SQLAKLGJPHMINY-NSCUHMNNSA-N 0 1 285.318 3.648 20 0 CHADMN Cc1ccc(F)cc1CN1CCCC[C@@](C)(F)C1 ZINC001140589396 1131813511 /nfs/dbraw/zinc/81/35/11/1131813511.db2.gz CWXIKULBIZDVLN-OAHLLOKOSA-N 0 1 253.336 3.848 20 0 CHADMN Cc1ccc(F)cc1CN1CC[C@@H]1COCc1ccccc1 ZINC001140593006 1131816359 /nfs/dbraw/zinc/81/63/59/1131816359.db2.gz MAFWLFZUOBRDBG-LJQANCHMSA-N 0 1 299.389 3.925 20 0 CHADMN CN1CCC[C@@H](Oc2ccc3ccccc3c2Cl)C1 ZINC001228251623 1131839871 /nfs/dbraw/zinc/83/98/71/1131839871.db2.gz PBAHWRYCOYOZLG-CYBMUJFWSA-N 0 1 275.779 3.966 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3ccc(C)cc3C)cc(F)c12 ZINC001148253178 1131847140 /nfs/dbraw/zinc/84/71/40/1131847140.db2.gz YEGWICUZUKDVTF-UHFFFAOYSA-N 0 1 297.333 3.880 20 0 CHADMN CC(C)c1ccc(C(=O)NCc2[nH]nc3ccccc32)cc1 ZINC001148322545 1131850579 /nfs/dbraw/zinc/85/05/79/1131850579.db2.gz IBDWMCHCOKSXMQ-UHFFFAOYSA-N 0 1 293.370 3.616 20 0 CHADMN COc1ccc(CN2CCc3ccc(F)cc3C2)c(C)c1 ZINC001140676777 1131857424 /nfs/dbraw/zinc/85/74/24/1131857424.db2.gz LMWXOYXAOQUVAL-UHFFFAOYSA-N 0 1 285.362 3.701 20 0 CHADMN Cc1nc2ccc(O[C@H]3CCCc4cccnc43)cc2[nH]1 ZINC001228326535 1131859808 /nfs/dbraw/zinc/85/98/08/1131859808.db2.gz ISUPVWNXXHSVOO-INIZCTEOSA-N 0 1 279.343 3.723 20 0 CHADMN CC[C@@H](C)CN(CC)C(=O)[C@H](c1ccccc1)N(C)CC ZINC001148850550 1131872674 /nfs/dbraw/zinc/87/26/74/1131872674.db2.gz GOZCAQZCXJLVQT-WBVHZDCISA-N 0 1 290.451 3.574 20 0 CHADMN COCC[C@H](N[C@@H](C)c1nc(C)cs1)c1ccccc1 ZINC000348097717 1131879790 /nfs/dbraw/zinc/87/97/90/1131879790.db2.gz QZWWAWHEOHSCAY-ZFWWWQNUSA-N 0 1 290.432 3.880 20 0 CHADMN CC(=O)c1cc(C)c(C)cc1OC1CCN(C2CC2)CC1 ZINC001228437931 1131883458 /nfs/dbraw/zinc/88/34/58/1131883458.db2.gz RWBVHKJKQUIQJA-UHFFFAOYSA-N 0 1 287.403 3.512 20 0 CHADMN Fc1ccccc1[C@@H]1CCCCN1Cc1cc[nH]c1 ZINC001140706141 1131885829 /nfs/dbraw/zinc/88/58/29/1131885829.db2.gz JTTPCALIWCBWNN-INIZCTEOSA-N 0 1 258.340 3.881 20 0 CHADMN Cc1cccc2c1CCN(Cc1cc(Cl)ccc1N)C2 ZINC001140716405 1131895144 /nfs/dbraw/zinc/89/51/44/1131895144.db2.gz MSDCYGNYCGGNAV-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN c1cn(-c2ccccc2)c(CN2CCCC3(CCC3)C2)n1 ZINC000348192600 1131897057 /nfs/dbraw/zinc/89/70/57/1131897057.db2.gz IEPAHSZNKQDVGM-UHFFFAOYSA-N 0 1 281.403 3.638 20 0 CHADMN Fc1cccc(F)c1CN1CCCC2(CCC2)C1 ZINC000348167594 1131898434 /nfs/dbraw/zinc/89/84/34/1131898434.db2.gz KMEOBSYZCYJYCQ-UHFFFAOYSA-N 0 1 251.320 3.731 20 0 CHADMN CC[C@@H](C)C[C@H](CC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228508302 1131900079 /nfs/dbraw/zinc/90/00/79/1131900079.db2.gz CDXXSDRITCQYHF-BDAKNGLRSA-N 0 1 282.775 3.600 20 0 CHADMN CCCC[C@@H](CCC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507386 1131900498 /nfs/dbraw/zinc/90/04/98/1131900498.db2.gz OBTSKDTVARIVDG-SECBINFHSA-N 0 1 282.775 3.744 20 0 CHADMN Cc1cc(Cl)nc(CN[C@H](C)c2cccs2)c1 ZINC000282791839 1131902187 /nfs/dbraw/zinc/90/21/87/1131902187.db2.gz QGWDNXDOMDMPGN-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1ccc(N2CCN(Cc3ccc(F)cc3C)CC2)cc1 ZINC001140778468 1131912123 /nfs/dbraw/zinc/91/21/23/1131912123.db2.gz VQSVQOPMVJPYRP-UHFFFAOYSA-N 0 1 298.405 3.765 20 0 CHADMN Oc1cc(Cl)cc(CN2CCCC3(CCC3)C2)c1 ZINC001140790991 1131920491 /nfs/dbraw/zinc/92/04/91/1131920491.db2.gz VCOYAUIFCCHADZ-UHFFFAOYSA-N 0 1 265.784 3.812 20 0 CHADMN Brc1cccc2nc(O[C@@H]3C[C@H]4C[C@H]4C3)[nH]c21 ZINC001228680696 1131932548 /nfs/dbraw/zinc/93/25/48/1131932548.db2.gz AQEMAWXIGAUMSC-AYMMMOKOSA-N 0 1 293.164 3.503 20 0 CHADMN COc1ccc(CN[C@H](C)c2cccnc2Cl)c(C)c1 ZINC000773061495 1131933163 /nfs/dbraw/zinc/93/31/63/1131933163.db2.gz YLEBDHJKWTUTDB-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CCc1ccc(OC2CN(C(C)(C)C)C2)c(-c2cc[nH]n2)c1 ZINC001228684686 1131933315 /nfs/dbraw/zinc/93/33/15/1131933315.db2.gz QGZOPBWVRDOMGL-UHFFFAOYSA-N 0 1 299.418 3.501 20 0 CHADMN c1cc2c(cccc2CNc2ccc3c(n2)NCCO3)s1 ZINC001171378619 1131935641 /nfs/dbraw/zinc/93/56/41/1131935641.db2.gz HQEMHIILDYSZQS-UHFFFAOYSA-N 0 1 297.383 3.713 20 0 CHADMN COc1cc(F)c(CN(C(C)C)C(C)C)c(F)c1 ZINC001140824082 1131935957 /nfs/dbraw/zinc/93/59/57/1131935957.db2.gz WSLQHDKMIKAIAO-UHFFFAOYSA-N 0 1 257.324 3.592 20 0 CHADMN COc1cc(F)c(CN2CC[C@H]3CCC[C@H]3C2)c(F)c1 ZINC001140824786 1131937036 /nfs/dbraw/zinc/93/70/36/1131937036.db2.gz IZJRBCPJSJGCRA-NEPJUHHUSA-N 0 1 281.346 3.595 20 0 CHADMN COc1cc(F)c(CN2CCC3(CCCC3)C2)c(F)c1 ZINC001140826695 1131938957 /nfs/dbraw/zinc/93/89/57/1131938957.db2.gz NSQKWAWSGNCBLT-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN CC[C@H]1CCCCN1Cc1c(F)cc(OC)cc1F ZINC001140827515 1131939113 /nfs/dbraw/zinc/93/91/13/1131939113.db2.gz CTFRDVYJBGQPRX-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN C[C@H]1CC[C@H](NCc2cccc(F)n2)c2ccccc21 ZINC000773084157 1131939683 /nfs/dbraw/zinc/93/96/83/1131939683.db2.gz BJVZQCMLSXJNFT-LRDDRELGSA-N 0 1 270.351 3.949 20 0 CHADMN [O-]c1c(Cl)cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc1Cl ZINC001140831388 1131942256 /nfs/dbraw/zinc/94/22/56/1131942256.db2.gz MRCPVYNSKJSGCJ-HOTUBEGUSA-N 0 1 290.165 3.631 20 0 CHADMN Fc1cccc(CN[C@@H]2CCc3ccc(Cl)cc32)n1 ZINC000773091370 1131942647 /nfs/dbraw/zinc/94/26/47/1131942647.db2.gz WOCBLNMCMLLTDL-CQSZACIVSA-N 0 1 276.742 3.651 20 0 CHADMN C[C@H](NCc1cccc(F)n1)c1ccc2c(c1)CCC2 ZINC000773091352 1131942709 /nfs/dbraw/zinc/94/27/09/1131942709.db2.gz WJJGQKSDUOTQKQ-LBPRGKRZSA-N 0 1 270.351 3.560 20 0 CHADMN Cc1cc(CN2CCC3(CCCc4ccccc43)CC2)[nH]n1 ZINC001203070524 1131943281 /nfs/dbraw/zinc/94/32/81/1131943281.db2.gz XLSSPSVRSQMXSV-UHFFFAOYSA-N 0 1 295.430 3.588 20 0 CHADMN Cc1cc(CN2CCC(CCCc3ccccc3)CC2)[nH]n1 ZINC001203070446 1131943308 /nfs/dbraw/zinc/94/33/08/1131943308.db2.gz UFCRZJBVWJPZGY-UHFFFAOYSA-N 0 1 297.446 3.953 20 0 CHADMN C[C@H](N[C@H](c1cccnc1)C1CC1)c1cccnc1Cl ZINC000773115427 1131947128 /nfs/dbraw/zinc/94/71/28/1131947128.db2.gz BNIZQXWUCLISLO-NHYWBVRUSA-N 0 1 287.794 3.932 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@@H](C)c1ccc[nH]1 ZINC000773117179 1131948687 /nfs/dbraw/zinc/94/86/87/1131948687.db2.gz KRGWXVJGADKMQN-STQMWFEESA-N 0 1 258.365 3.744 20 0 CHADMN Cc1c[nH]c(CN2CCSc3ccccc3C2)c1C ZINC001140864199 1131952512 /nfs/dbraw/zinc/95/25/12/1131952512.db2.gz LFHCLNAXODAHII-UHFFFAOYSA-N 0 1 272.417 3.739 20 0 CHADMN Nc1cccc(F)c1CN1CCC[C@@H]1c1cccc(F)c1 ZINC001140874975 1131954736 /nfs/dbraw/zinc/95/47/36/1131954736.db2.gz PZQOMDCTUHPYNR-QGZVFWFLSA-N 0 1 288.341 3.884 20 0 CHADMN Fc1cc(CN2CCC3(CC3)C2)cc(F)c1C(F)(F)F ZINC001140878926 1131956792 /nfs/dbraw/zinc/95/67/92/1131956792.db2.gz MKRZVBCQMAADID-UHFFFAOYSA-N 0 1 291.263 3.970 20 0 CHADMN C[N@H+](Cc1ccc([O-])c(F)c1F)CC1CCCCC1 ZINC001140893586 1131957822 /nfs/dbraw/zinc/95/78/22/1131957822.db2.gz UMHLDPZTTOXTCD-UHFFFAOYSA-N 0 1 269.335 3.683 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000773138467 1131958112 /nfs/dbraw/zinc/95/81/12/1131958112.db2.gz LEZOKTYADDTDOD-WFASDCNBSA-N 0 1 284.407 3.575 20 0 CHADMN CC(C)C1CCN(Cc2cnccc2C(F)(F)F)CC1 ZINC001140920107 1131963582 /nfs/dbraw/zinc/96/35/82/1131963582.db2.gz JYTQROCVJXYMMB-UHFFFAOYSA-N 0 1 286.341 3.968 20 0 CHADMN FC(F)(F)c1ccncc1CN1CCCCC12CC2 ZINC001140920581 1131964079 /nfs/dbraw/zinc/96/40/79/1131964079.db2.gz YJFVNKDKEBIBFV-UHFFFAOYSA-N 0 1 270.298 3.619 20 0 CHADMN Cc1cc(C)cc([C@@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])o2)c1 ZINC001140949097 1131968680 /nfs/dbraw/zinc/96/86/80/1131968680.db2.gz NQOXALNEQDWKIE-INIZCTEOSA-N 0 1 299.370 3.932 20 0 CHADMN CC(=O)[C@@H](N[C@@H]1CCc2c(F)cccc2C1)c1ccccc1 ZINC001171402732 1131969135 /nfs/dbraw/zinc/96/91/35/1131969135.db2.gz VEBWYOKZRPRXOU-VQIMIIECSA-N 0 1 297.373 3.603 20 0 CHADMN C[N@H+]1CCc2cc(O[C@H]3CCc4ccccc4C3)ccc2C1 ZINC001228944607 1131983001 /nfs/dbraw/zinc/98/30/01/1131983001.db2.gz PDRIVEWGLHSKNW-IBGZPJMESA-N 0 1 293.410 3.611 20 0 CHADMN c1coc(CN2CCC[C@@H](CCc3ccccc3)C2)n1 ZINC001141012410 1131984753 /nfs/dbraw/zinc/98/47/53/1131984753.db2.gz LDFMOFYJLLPLRL-INIZCTEOSA-N 0 1 270.376 3.519 20 0 CHADMN Cc1ccncc1CN1CCC(Oc2ccccc2C)CC1 ZINC001141031387 1131989324 /nfs/dbraw/zinc/98/93/24/1131989324.db2.gz LMRUBGYMAFSHIA-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccns2)c(C)s1 ZINC000715906801 1131994951 /nfs/dbraw/zinc/99/49/51/1131994951.db2.gz GBJRALRQHPHTKI-VIFPVBQESA-N 0 1 252.408 3.672 20 0 CHADMN CC[C@@H](Oc1nnc2c[nH]ccc1-2)c1ccccc1F ZINC001228994020 1131995313 /nfs/dbraw/zinc/99/53/13/1131995313.db2.gz ATZPJOUEOKNPAX-CQSZACIVSA-N 0 1 271.295 3.627 20 0 CHADMN Cc1ncoc1CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC001141053918 1131997202 /nfs/dbraw/zinc/99/72/02/1131997202.db2.gz SUMXMNHTBGQIIP-ZDUSSCGKSA-N 0 1 276.767 3.626 20 0 CHADMN Cc1ncoc1CN1CCC2(CC1)O[C@H](C)c1ccccc12 ZINC001141058395 1131998895 /nfs/dbraw/zinc/99/88/95/1131998895.db2.gz ZNKKUUFZCRSSPQ-CQSZACIVSA-N 0 1 298.386 3.566 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccns2)cc1 ZINC000715964772 1132000513 /nfs/dbraw/zinc/00/05/13/1132000513.db2.gz GADYCILFOGYZEV-QWRGUYRKSA-N 0 1 262.378 3.564 20 0 CHADMN C[C@H](NCc1cc(Cl)cs1)c1ccns1 ZINC000716028734 1132001353 /nfs/dbraw/zinc/00/13/53/1132001353.db2.gz FXMZRSYKOGPZAA-ZETCQYMHSA-N 0 1 258.799 3.709 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@@H](C)c1ccns1)CCC2 ZINC000716019026 1132001732 /nfs/dbraw/zinc/00/17/32/1132001732.db2.gz GPSNCNIASUXMKB-XHDPSFHLSA-N 0 1 288.416 3.880 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccns1)CCC2 ZINC000716019024 1132002237 /nfs/dbraw/zinc/00/22/37/1132002237.db2.gz GPSNCNIASUXMKB-NHYWBVRUSA-N 0 1 288.416 3.880 20 0 CHADMN CCCCc1ncc(CN2CCCC[C@H]2c2cccnc2)[nH]1 ZINC001141069801 1132002975 /nfs/dbraw/zinc/00/29/75/1132002975.db2.gz DRVSYHYIBXKOAW-KRWDZBQOSA-N 0 1 298.434 3.875 20 0 CHADMN CN(C)Cc1ccc(NC(=O)[C@H]2CCCC2(C)C)cc1F ZINC000773240460 1132011121 /nfs/dbraw/zinc/01/11/21/1132011121.db2.gz GKCMFAOMOXCFNU-CQSZACIVSA-N 0 1 292.398 3.652 20 0 CHADMN CCCN(Cc1ncc(Cl)nc1Cl)[C@H](C)CC ZINC001141131339 1132024484 /nfs/dbraw/zinc/02/44/84/1132024484.db2.gz DNKLHLCULWVWQF-SECBINFHSA-N 0 1 276.211 3.794 20 0 CHADMN Cc1[nH]nc(CNCc2cccc(Cl)c2Cl)c1C ZINC000716478090 1132027457 /nfs/dbraw/zinc/02/74/57/1132027457.db2.gz SRNZFZHGRVBULY-UHFFFAOYSA-N 0 1 284.190 3.623 20 0 CHADMN COc1ccc2cc(CN3CCCCC3)c(Cl)nc2c1 ZINC000037495047 1132031768 /nfs/dbraw/zinc/03/17/68/1132031768.db2.gz OEMNMZIXZZJQEC-UHFFFAOYSA-N 0 1 290.794 3.883 20 0 CHADMN CC1(C)CCc2cc(CN3CC4(CCC4)C3)ccc2O1 ZINC001141181591 1132035474 /nfs/dbraw/zinc/03/54/74/1132035474.db2.gz KWYKIQIMNPDLTG-UHFFFAOYSA-N 0 1 271.404 3.776 20 0 CHADMN Cc1ccc(CN2CCC[C@H](C(F)F)C2)c(F)c1 ZINC001141196897 1132041642 /nfs/dbraw/zinc/04/16/42/1132041642.db2.gz XAWSKNAYJRYUAB-LBPRGKRZSA-N 0 1 257.299 3.611 20 0 CHADMN C[C@@]1(F)CCCN([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171476653 1132043134 /nfs/dbraw/zinc/04/31/34/1132043134.db2.gz NEUGDDGBSIQFNP-CZUORRHYSA-N 0 1 283.337 3.646 20 0 CHADMN Fc1cc2c(cc1F)C[C@H](N1CC3(C1)CC(F)(F)C3)CC2 ZINC001171478421 1132043726 /nfs/dbraw/zinc/04/37/26/1132043726.db2.gz YNTIHDDNNKKZAB-GFCCVEGCSA-N 0 1 299.311 3.553 20 0 CHADMN CCOc1cccc(F)c1CN[C@H](CC)COCC1CC1 ZINC001203105149 1132045076 /nfs/dbraw/zinc/04/50/76/1132045076.db2.gz NOBVIBUZUDUHIL-CQSZACIVSA-N 0 1 295.398 3.519 20 0 CHADMN CCc1ccccc1CN1CC[C@@](C)(F)[C@H](F)C1 ZINC001141224109 1132047570 /nfs/dbraw/zinc/04/75/70/1132047570.db2.gz DTVUHZBBTLUPFX-HUUCEWRRSA-N 0 1 253.336 3.521 20 0 CHADMN Cc1cc(CN(C)Cc2cccnc2C)ccc1Cl ZINC001141237347 1132057114 /nfs/dbraw/zinc/05/71/14/1132057114.db2.gz OTKRITFLJJYTKP-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN COC(=O)c1cc(Nc2cc(C)cc(C)n2)ccc1C ZINC001212622466 1132059337 /nfs/dbraw/zinc/05/93/37/1132059337.db2.gz JDKBWYSXWWHTAR-UHFFFAOYSA-N 0 1 270.332 3.537 20 0 CHADMN Cc1ccc(CC[C@H](C)N2CCC(F)(F)[C@@H](F)C2)cc1 ZINC001171671377 1132073722 /nfs/dbraw/zinc/07/37/22/1132073722.db2.gz OYOZFHQVQSHEEU-ZFWWWQNUSA-N 0 1 285.353 3.995 20 0 CHADMN Cc1ccc(CC[C@@H](C)N2CCC(F)(F)[C@@H](F)C2)cc1 ZINC001171671137 1132073668 /nfs/dbraw/zinc/07/36/68/1132073668.db2.gz OYOZFHQVQSHEEU-HIFRSBDPSA-N 0 1 285.353 3.995 20 0 CHADMN Cc1ccc(CC[C@H](C)N(C)Cc2cscn2)cc1 ZINC001171678248 1132076042 /nfs/dbraw/zinc/07/60/42/1132076042.db2.gz CSHTXZQGVCKRPK-AWEZNQCLSA-N 0 1 274.433 3.905 20 0 CHADMN Cc1ccc(CC[C@H](C)N2CCn3cccc3C2)cc1 ZINC001171675489 1132076478 /nfs/dbraw/zinc/07/64/78/1132076478.db2.gz RHOFOTAXTKPMMW-INIZCTEOSA-N 0 1 268.404 3.633 20 0 CHADMN OC[C@@H]1CCCCCN1Cc1cc(Cl)cc(Cl)c1 ZINC001171642169 1132080263 /nfs/dbraw/zinc/08/02/63/1132080263.db2.gz RULVPCRDTRYETO-AWEZNQCLSA-N 0 1 288.218 3.730 20 0 CHADMN COc1ccsc1CN(C)Cc1cccc2cccnc21 ZINC001141326708 1132086302 /nfs/dbraw/zinc/08/63/02/1132086302.db2.gz JKTDBELPRYRFPL-UHFFFAOYSA-N 0 1 298.411 3.937 20 0 CHADMN CN(Cc1cccc(Cl)c1)C[C@@H]1CC1(Cl)Cl ZINC000838489021 1132137986 /nfs/dbraw/zinc/13/79/86/1132137986.db2.gz SBZVNSSHJCWXAT-JTQLQIEISA-N 0 1 278.610 3.966 20 0 CHADMN COc1cc(Cl)ncc1CN1CCC[C@@H](C)[C@H](C)C1 ZINC001141333408 1132089617 /nfs/dbraw/zinc/08/96/17/1132089617.db2.gz AWOYMIXBZXDHQJ-VXGBXAGGSA-N 0 1 282.815 3.612 20 0 CHADMN Fc1cccc2c1C[C@H](NCc1c(F)cccc1Cl)C2 ZINC001171772501 1132092587 /nfs/dbraw/zinc/09/25/87/1132092587.db2.gz CWILMOZXSSOAGV-LLVKDONJSA-N 0 1 293.744 3.875 20 0 CHADMN CC(C)CCCCCC(=O)NCc1ccc2cncn2c1 ZINC000837859510 1132105119 /nfs/dbraw/zinc/10/51/19/1132105119.db2.gz ROZPCXWBDIVOFO-UHFFFAOYSA-N 0 1 287.407 3.557 20 0 CHADMN CCc1ccc2ccccc2c1CN(C)Cc1c[nH]cn1 ZINC001171910956 1132108519 /nfs/dbraw/zinc/10/85/19/1132108519.db2.gz CQPCGALGVYOFBW-UHFFFAOYSA-N 0 1 279.387 3.757 20 0 CHADMN CCc1nnc(CN2CCC(C)(C)CC(C)(C)C2)s1 ZINC001171882390 1132108670 /nfs/dbraw/zinc/10/86/70/1132108670.db2.gz RESHIESRLHZLNP-UHFFFAOYSA-N 0 1 281.469 3.749 20 0 CHADMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)N1CCOC2(CC2)C1 ZINC001171967705 1132112781 /nfs/dbraw/zinc/11/27/81/1132112781.db2.gz SHAKTANLCVFSJJ-LBPRGKRZSA-N 0 1 299.336 3.501 20 0 CHADMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)N1CCOCC12CC2 ZINC001171967133 1132112860 /nfs/dbraw/zinc/11/28/60/1132112860.db2.gz RHLJGIUDPCYCDC-LBPRGKRZSA-N 0 1 299.336 3.501 20 0 CHADMN CCN(Cc1ccccc1)Cc1cnc(C(F)(F)F)nc1 ZINC001141451739 1132128875 /nfs/dbraw/zinc/12/88/75/1132128875.db2.gz VRGVRZPGDNUHQO-UHFFFAOYSA-N 0 1 295.308 3.518 20 0 CHADMN CC(C)c1cc(CN[C@H]2CSc3ccccc3C2)on1 ZINC001172187596 1132137426 /nfs/dbraw/zinc/13/74/26/1132137426.db2.gz NNAUKFZIZQJICZ-CYBMUJFWSA-N 0 1 288.416 3.605 20 0 CHADMN C[C@H]1c2ccsc2CCN1C[C@H]1CC1(Cl)Cl ZINC000838548018 1132141860 /nfs/dbraw/zinc/14/18/60/1132141860.db2.gz JEEYLCYYJXTLKG-DTWKUNHWSA-N 0 1 276.232 3.861 20 0 CHADMN c1ccc2c(c1)oc1c2CCN(C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172227141 1132144429 /nfs/dbraw/zinc/14/44/29/1132144429.db2.gz NIUZZDZKRFDWNA-AGUYFDCRSA-N 0 1 283.371 3.501 20 0 CHADMN Cc1ccc(CN2CCS[C@H]3CCCC[C@@H]32)c(Cl)n1 ZINC000838868718 1132152823 /nfs/dbraw/zinc/15/28/23/1132152823.db2.gz QVFDVVYYUZMKPA-KBPBESRZSA-N 0 1 296.867 3.903 20 0 CHADMN CC[C@@H](NCc1cnc(C2CC2)nc1)c1ccccc1OC ZINC000838897237 1132157007 /nfs/dbraw/zinc/15/70/07/1132157007.db2.gz CJFCGHLQMGVGDW-MRXNPFEDSA-N 0 1 297.402 3.604 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(C)nc2Cl)cc1 ZINC000838911951 1132157996 /nfs/dbraw/zinc/15/79/96/1132157996.db2.gz UGZFXGXYYXXSQH-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CC[C@H](C)OCC[C@H](C)N[C@@H]1CCCCC1(F)F ZINC001172325828 1132160888 /nfs/dbraw/zinc/16/08/88/1132160888.db2.gz XRYILTLVBSJJKH-RWMBFGLXSA-N 0 1 263.372 3.748 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@H](C)c1cnc2ccccn21 ZINC001230223045 1132162352 /nfs/dbraw/zinc/16/23/52/1132162352.db2.gz KUHUNULAUKFZNI-GFCCVEGCSA-N 0 1 292.342 3.659 20 0 CHADMN CCCCCC(C)(C)CNCc1cc(COC)on1 ZINC000838980085 1132163410 /nfs/dbraw/zinc/16/34/10/1132163410.db2.gz NXUHVWCSJKFWMJ-UHFFFAOYSA-N 0 1 268.401 3.517 20 0 CHADMN CC1(C)C[C@H](N2CCC[C@H]2c2c(F)cccc2F)CO1 ZINC001172293038 1132166316 /nfs/dbraw/zinc/16/63/16/1132166316.db2.gz PFZMYNPVWNENAC-FZMZJTMJSA-N 0 1 281.346 3.669 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)N(C)Cc1cnc(Cl)s1 ZINC001172339096 1132176685 /nfs/dbraw/zinc/17/66/85/1132176685.db2.gz NUIYSQQBNAIQKP-MNOVXSKESA-N 0 1 290.860 3.822 20 0 CHADMN FC(F)Sc1ccc(CN2CC3(C2)CCOCC3)cc1 ZINC000839141274 1132184214 /nfs/dbraw/zinc/18/42/14/1132184214.db2.gz NWXBPFFZDICCJS-UHFFFAOYSA-N 0 1 299.386 3.614 20 0 CHADMN Clc1ccc2c(CN3CCc4cnccc4C3)c[nH]c2c1 ZINC001141577434 1132187098 /nfs/dbraw/zinc/18/70/98/1132187098.db2.gz FDXPUGRDJRMORC-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN CCN(C)Cc1cc(Br)cc(Cl)c1F ZINC001141593190 1132196984 /nfs/dbraw/zinc/19/69/84/1132196984.db2.gz KSRUUWQIIQZNAA-UHFFFAOYSA-N 0 1 280.568 3.693 20 0 CHADMN COc1cc(C(F)(F)F)ccc1CN1CCC(F)CC1 ZINC001141602445 1132201317 /nfs/dbraw/zinc/20/13/17/1132201317.db2.gz AJBBXFOQWPTDPB-UHFFFAOYSA-N 0 1 291.288 3.648 20 0 CHADMN CC[C@@H](NCCOc1ccccc1C)c1nc(C)cs1 ZINC000839551180 1132223023 /nfs/dbraw/zinc/22/30/23/1132223023.db2.gz SMGQKROHCDSNHZ-CQSZACIVSA-N 0 1 290.432 3.880 20 0 CHADMN O=C(c1cccc(C[N@H+]2CCCC3(CC3)C2)c1)C(F)(F)F ZINC000839558979 1132223306 /nfs/dbraw/zinc/22/33/06/1132223306.db2.gz GZQLDCUOFXLLLR-UHFFFAOYSA-N 0 1 297.320 3.808 20 0 CHADMN O=C(c1cccc(CN2CCCC3(CC3)C2)c1)C(F)(F)F ZINC000839558979 1132223313 /nfs/dbraw/zinc/22/33/13/1132223313.db2.gz GZQLDCUOFXLLLR-UHFFFAOYSA-N 0 1 297.320 3.808 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H](C)c2csc3ccccc32)n[nH]1 ZINC000839554381 1132223744 /nfs/dbraw/zinc/22/37/44/1132223744.db2.gz YFKJVKCOELZDOF-VHSXEESVSA-N 0 1 286.404 3.740 20 0 CHADMN Cc1ccccc1OCC[N@H+]1CCC=C(c2cccnc2)C1 ZINC000839603459 1132224839 /nfs/dbraw/zinc/22/48/39/1132224839.db2.gz TYILSPZJLSYXOS-UHFFFAOYSA-N 0 1 294.398 3.558 20 0 CHADMN CC(C)COCC[C@H](C)N1CCc2cc(F)c(F)cc2C1 ZINC001172477589 1132227789 /nfs/dbraw/zinc/22/77/89/1132227789.db2.gz BNNQWDVPPQLWJV-ZDUSSCGKSA-N 0 1 297.389 3.774 20 0 CHADMN Cc1ccc(CN2CC(C)(C)C[C@H]2C)c(Cl)n1 ZINC000839657897 1132229032 /nfs/dbraw/zinc/22/90/32/1132229032.db2.gz GQACVBKSEREQBA-LLVKDONJSA-N 0 1 252.789 3.664 20 0 CHADMN C[C@H](Oc1cc2[nH]ncc2c(F)c1)c1ccc(F)cc1 ZINC001230931006 1132231098 /nfs/dbraw/zinc/23/10/98/1132231098.db2.gz KPGYDHZISUAVEV-VIFPVBQESA-N 0 1 274.270 3.981 20 0 CHADMN Cc1cnc(F)c([C@@H](C)Oc2cc3[nH]ncc3c(F)c2)c1 ZINC001230936246 1132231733 /nfs/dbraw/zinc/23/17/33/1132231733.db2.gz UIIPSTNMHPBENS-SECBINFHSA-N 0 1 289.285 3.685 20 0 CHADMN CC(C)COCC[C@@H](C)NCc1c(F)ccc(F)c1F ZINC001172458460 1132240510 /nfs/dbraw/zinc/24/05/10/1132240510.db2.gz ZATOEWYPBLGUSE-LLVKDONJSA-N 0 1 289.341 3.645 20 0 CHADMN CC(C)[C@H](C)Oc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC001231044647 1132246962 /nfs/dbraw/zinc/24/69/62/1132246962.db2.gz MVLLSXIGECFLKT-LURJTMIESA-N 0 1 274.151 3.688 20 0 CHADMN CCC[C@@H](Oc1nc(Cl)nc2[nH]ncc21)[C@H](C)CC ZINC001231046775 1132248157 /nfs/dbraw/zinc/24/81/57/1132248157.db2.gz DLNHZKJIRBLOGO-PSASIEDQSA-N 0 1 282.775 3.600 20 0 CHADMN Fc1ccc2occ(C[N@@H+]3C[C@H]4[C@H](CC4(F)F)C3)c2c1 ZINC001141849163 1132255871 /nfs/dbraw/zinc/25/58/71/1132255871.db2.gz WLCPPRAOPOSCMX-RNCFNFMXSA-N 0 1 281.277 3.659 20 0 CHADMN Fc1ccc2occ(CN3CC4(C3)CCCC4)c2c1 ZINC001141848945 1132256218 /nfs/dbraw/zinc/25/62/18/1132256218.db2.gz NOXQVTSJHWNGBM-UHFFFAOYSA-N 0 1 259.324 3.948 20 0 CHADMN CCCCCC[C@H](CCCC)Nc1nccnc1CN ZINC001172517994 1132261921 /nfs/dbraw/zinc/26/19/21/1132261921.db2.gz VOYKPKHQVMNNQE-AWEZNQCLSA-N 0 1 278.444 3.876 20 0 CHADMN c1ccc([C@@H]2CCC[C@@H](N3CCOC4(CC4)C3)C2)cc1 ZINC001172550483 1132263461 /nfs/dbraw/zinc/26/34/61/1132263461.db2.gz XANQWFVGPFVLAB-IAGOWNOFSA-N 0 1 271.404 3.578 20 0 CHADMN COc1ccc(C[N@@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000505764962 1132273553 /nfs/dbraw/zinc/27/35/53/1132273553.db2.gz APRPDHYXKIRMSH-UHFFFAOYSA-N 0 1 279.383 3.985 20 0 CHADMN c1ccc([C@@H]2CCC[C@@H](NCc3nc(C4CC4)no3)C2)cc1 ZINC001172541379 1132276920 /nfs/dbraw/zinc/27/69/20/1132276920.db2.gz XEDILXPXAWDBCL-HZPDHXFCSA-N 0 1 297.402 3.763 20 0 CHADMN Cc1onc(-c2ccccc2)c1CN1CCC(F)(F)CC1 ZINC001141979334 1132284103 /nfs/dbraw/zinc/28/41/03/1132284103.db2.gz REHAHBKKGNLASL-UHFFFAOYSA-N 0 1 292.329 3.881 20 0 CHADMN CC1(C)CC(N[C@H]2CCCC2(F)F)CC(C)(C)O1 ZINC001172650940 1132287867 /nfs/dbraw/zinc/28/78/67/1132287867.db2.gz TXQICFZPTWQMCX-NSHDSACASA-N 0 1 261.356 3.500 20 0 CHADMN c1cc(Oc2ccccc2)c(CN2CC=CC2)s1 ZINC001141994712 1132288701 /nfs/dbraw/zinc/28/87/01/1132288701.db2.gz WLSDMOIHDLBLMZ-UHFFFAOYSA-N 0 1 257.358 3.912 20 0 CHADMN c1cc(Oc2ccccc2)c(CN2CCCOCC2)s1 ZINC001141994795 1132288770 /nfs/dbraw/zinc/28/87/70/1132288770.db2.gz ZLCYIAWSUDAWQN-UHFFFAOYSA-N 0 1 289.400 3.763 20 0 CHADMN CC1(C)CC(N2CCC[C@H](F)C(F)(F)C2)CC(C)(C)O1 ZINC001172654876 1132289490 /nfs/dbraw/zinc/28/94/90/1132289490.db2.gz LDUGDMGNFLXPNW-LBPRGKRZSA-N 0 1 293.373 3.792 20 0 CHADMN Cc1cc2c(cn1)CN([C@@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172722186 1132295869 /nfs/dbraw/zinc/29/58/69/1132295869.db2.gz QCSVWHKDMXBYBE-QGZVFWFLSA-N 0 1 284.790 3.526 20 0 CHADMN CCC[N@@H+](Cc1cc(C(=O)[O-])ccc1F)[C@@H](C)CC ZINC001231455774 1132297057 /nfs/dbraw/zinc/29/70/57/1132297057.db2.gz DMRXMTDEOQGKHM-NSHDSACASA-N 0 1 267.344 3.534 20 0 CHADMN C[C@@H](NC1CCC2(CCCC2)CC1)c1ncc(F)cn1 ZINC001172724105 1132298313 /nfs/dbraw/zinc/29/83/13/1132298313.db2.gz MYELGXSAVJZFRL-GFCCVEGCSA-N 0 1 277.387 3.769 20 0 CHADMN C(NC1CCC2(CCCC2)CC1)c1nc(C2CC2)no1 ZINC001172726565 1132299619 /nfs/dbraw/zinc/29/96/19/1132299619.db2.gz XKQMYUNWUPEEAS-UHFFFAOYSA-N 0 1 275.396 3.540 20 0 CHADMN F[C@@H]1CCCC[C@H]1N[C@@H]1CCc2nc(Cl)ccc21 ZINC000840875958 1132300763 /nfs/dbraw/zinc/30/07/63/1132300763.db2.gz LNDWBOVGLRAMKN-NQBHXWOUSA-N 0 1 268.763 3.593 20 0 CHADMN c1cn(C2CC2)c(NCc2ccc(OCC3CC3)cc2)n1 ZINC000840886678 1132301757 /nfs/dbraw/zinc/30/17/57/1132301757.db2.gz LYMAHQNKNBEBNN-UHFFFAOYSA-N 0 1 283.375 3.619 20 0 CHADMN CCCn1c(CNc2nccn2C2CC2)nc2ccccc21 ZINC000840886789 1132302008 /nfs/dbraw/zinc/30/20/08/1132302008.db2.gz COTKLOZJPRLFBF-UHFFFAOYSA-N 0 1 295.390 3.590 20 0 CHADMN CSc1ccc(CNc2nccn2C2CC2)s1 ZINC000840886645 1132303181 /nfs/dbraw/zinc/30/31/81/1132303181.db2.gz KJWNLLKJAVHXFQ-UHFFFAOYSA-N 0 1 265.407 3.614 20 0 CHADMN COc1ccc2ccccc2c1CNc1nccn1C1CC1 ZINC000840886800 1132303308 /nfs/dbraw/zinc/30/33/08/1132303308.db2.gz DHMIFJCCGBMANI-UHFFFAOYSA-N 0 1 293.370 3.992 20 0 CHADMN Cc1cc(Cl)ccc1CNc1nccn1C1CC1 ZINC000840887392 1132304009 /nfs/dbraw/zinc/30/40/09/1132304009.db2.gz MUVOBUSUEIHGEI-UHFFFAOYSA-N 0 1 261.756 3.792 20 0 CHADMN Fc1cc(Cl)cc(CNc2nccn2C2CC2)c1 ZINC000840887251 1132305190 /nfs/dbraw/zinc/30/51/90/1132305190.db2.gz ULXJCACONJMPKC-UHFFFAOYSA-N 0 1 265.719 3.623 20 0 CHADMN Cc1c(C)c(C)c(CN2CCOC3(CC3)C2)c(C)c1C ZINC001231493840 1132306616 /nfs/dbraw/zinc/30/66/16/1132306616.db2.gz FCZXDFAIOODEMS-UHFFFAOYSA-N 0 1 273.420 3.594 20 0 CHADMN CCc1ccc(CN2CCc3c(cccc3OC)C2)s1 ZINC001231503113 1132308568 /nfs/dbraw/zinc/30/85/68/1132308568.db2.gz OWQICVIALHOIIA-UHFFFAOYSA-N 0 1 287.428 3.877 20 0 CHADMN CCc1ccc(CN(C)Cc2cccc3c2OCO3)s1 ZINC001231503662 1132308637 /nfs/dbraw/zinc/30/86/37/1132308637.db2.gz JSQTWUNSCVACQY-UHFFFAOYSA-N 0 1 289.400 3.671 20 0 CHADMN Cc1nc2cc(Nc3cccc4c3cc[nH]c4=O)ccc2[nH]1 ZINC001213074195 1132309527 /nfs/dbraw/zinc/30/95/27/1132309527.db2.gz IPMALLDACQFZKY-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN CC(C)OC(=O)CC[C@@H](C)N(C)Cc1cccc(F)c1F ZINC001172762418 1132312020 /nfs/dbraw/zinc/31/20/20/1132312020.db2.gz KOGBNGXVGRDUIX-GFCCVEGCSA-N 0 1 299.361 3.517 20 0 CHADMN Oc1ccc(CN2CCC23CCCC3)cc1C(F)(F)F ZINC001231523099 1132313262 /nfs/dbraw/zinc/31/32/62/1132313262.db2.gz OITRZCOVHLUUMR-UHFFFAOYSA-N 0 1 285.309 3.930 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(OC(C)C)nc2)c1 ZINC001231531800 1132313533 /nfs/dbraw/zinc/31/35/33/1132313533.db2.gz DOUWZJHOIVSCCH-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN Cc1nc2cc(Nc3ccc(Cl)cc3O)ccc2[nH]1 ZINC001213074128 1132314948 /nfs/dbraw/zinc/31/49/48/1132314948.db2.gz FLEMVSHCPREYDZ-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN O=C([O-])[C@H]1CCC[N@H+]1[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000840996238 1132317262 /nfs/dbraw/zinc/31/72/62/1132317262.db2.gz HBLYSJHVDQNPPU-NWANDNLSSA-N 0 1 293.794 3.525 20 0 CHADMN CN(Cc1ncccn1)C1CCC(Cc2ccccc2)CC1 ZINC001172820666 1132317714 /nfs/dbraw/zinc/31/77/14/1132317714.db2.gz AJJXQUAPWATXFF-UHFFFAOYSA-N 0 1 295.430 3.710 20 0 CHADMN Cc1ccc2c(c1)C[C@H](n1c3ccccc3nc1CN)CC2 ZINC001172823771 1132320150 /nfs/dbraw/zinc/32/01/50/1132320150.db2.gz JGNDEXQGKWJBBE-MRXNPFEDSA-N 0 1 291.398 3.533 20 0 CHADMN Cc1ccc(-c2ccc(CN3CC[C@@H](F)C3)cc2)o1 ZINC001231595952 1132321518 /nfs/dbraw/zinc/32/15/18/1132321518.db2.gz MIWKLCOVSHHBOE-OAHLLOKOSA-N 0 1 259.324 3.799 20 0 CHADMN Cc1ccc(-c2ccc(CN3CCOC[C@@H]3C3CC3)cc2)o1 ZINC001231599637 1132322663 /nfs/dbraw/zinc/32/26/63/1132322663.db2.gz KVPURSNAMHDENV-GOSISDBHSA-N 0 1 297.398 3.866 20 0 CHADMN Cc1ccc(-c2ccc(CN3CC(C(F)F)C3)cc2)o1 ZINC001231599608 1132324545 /nfs/dbraw/zinc/32/45/45/1132324545.db2.gz JSXFYWZBBOSUIB-UHFFFAOYSA-N 0 1 277.314 3.952 20 0 CHADMN Clc1ccccc1-c1ccc(CN2C[C@@H]3C[C@H]2CO3)cc1 ZINC001142102407 1132326457 /nfs/dbraw/zinc/32/64/57/1132326457.db2.gz UQGVENKHIIKOFW-HOTGVXAUSA-N 0 1 299.801 3.980 20 0 CHADMN Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@H](C)C2)c(Cl)n1 ZINC001142125135 1132329665 /nfs/dbraw/zinc/32/96/65/1132329665.db2.gz KNTPWEXUCURLNT-NWDGAFQWSA-N 0 1 266.816 3.911 20 0 CHADMN Clc1ccc(CN2CC[C@@H](OCC3CCC3)C2)cc1 ZINC001206177559 1132330564 /nfs/dbraw/zinc/33/05/64/1132330564.db2.gz RTTBRYQHLSMTLS-MRXNPFEDSA-N 0 1 279.811 3.731 20 0 CHADMN C[C@@H](Cc1ccc(F)cc1Cl)N1CCC[C@@H]1CF ZINC001172868954 1132332392 /nfs/dbraw/zinc/33/23/92/1132332392.db2.gz ANGGDCZBUGVNQN-GXFFZTMASA-N 0 1 273.754 3.844 20 0 CHADMN Cc1nc2c(s1)CN([C@@H]1CCc3ccc(C)cc3C1)C2 ZINC001172839829 1132332869 /nfs/dbraw/zinc/33/28/69/1132332869.db2.gz VKBVVUHTRPYQHO-OAHLLOKOSA-N 0 1 284.428 3.633 20 0 CHADMN CCOc1ccc(CN2Cc3ccccc3[C@H](C)C2)cn1 ZINC001231649813 1132336727 /nfs/dbraw/zinc/33/67/27/1132336727.db2.gz TUOKOVVKHVYWGE-CQSZACIVSA-N 0 1 282.387 3.600 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1cc2cc[nH]c2cn1 ZINC001231669833 1132343389 /nfs/dbraw/zinc/34/33/89/1132343389.db2.gz OUNVKBLVWWBFQB-CYBMUJFWSA-N 0 1 295.386 3.765 20 0 CHADMN COCc1ccc(CN(C)Cc2cccc3cccnc32)o1 ZINC001231692724 1132344869 /nfs/dbraw/zinc/34/48/69/1132344869.db2.gz JWSSPTPTINXRMX-UHFFFAOYSA-N 0 1 296.370 3.606 20 0 CHADMN C[N@H+](Cc1ccc(Cl)c(O)c1)C[C@@H]1CC1(C)C ZINC001231737235 1132349026 /nfs/dbraw/zinc/34/90/26/1132349026.db2.gz OKJUDFNKONGWEY-NSHDSACASA-N 0 1 253.773 3.524 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)c([O-])c1)C[C@@H]1CC1(C)C ZINC001231737235 1132349035 /nfs/dbraw/zinc/34/90/35/1132349035.db2.gz OKJUDFNKONGWEY-NSHDSACASA-N 0 1 253.773 3.524 20 0 CHADMN C[N@H+](Cc1ccc(Cl)c([O-])c1)C[C@@H]1CC1(C)C ZINC001231737235 1132349042 /nfs/dbraw/zinc/34/90/42/1132349042.db2.gz OKJUDFNKONGWEY-NSHDSACASA-N 0 1 253.773 3.524 20 0 CHADMN C[C@H]1CCCC[N@@H+](Cc2ccc(Cl)c([O-])c2)C1 ZINC001231733604 1132349073 /nfs/dbraw/zinc/34/90/73/1132349073.db2.gz ZXMXXBBHZLHYOF-NSHDSACASA-N 0 1 253.773 3.668 20 0 CHADMN CCC[N@H+](Cc1ccc(Cl)c(O)c1)CC(C)C ZINC001231735207 1132351417 /nfs/dbraw/zinc/35/14/17/1132351417.db2.gz LRFYVJWRVAUJOH-UHFFFAOYSA-N 0 1 255.789 3.914 20 0 CHADMN CCC[N@@H+](Cc1ccc(Cl)c([O-])c1)CC(C)C ZINC001231735207 1132351427 /nfs/dbraw/zinc/35/14/27/1132351427.db2.gz LRFYVJWRVAUJOH-UHFFFAOYSA-N 0 1 255.789 3.914 20 0 CHADMN CCC[N@H+](Cc1ccc(Cl)c([O-])c1)CC(C)C ZINC001231735207 1132351434 /nfs/dbraw/zinc/35/14/34/1132351434.db2.gz LRFYVJWRVAUJOH-UHFFFAOYSA-N 0 1 255.789 3.914 20 0 CHADMN COc1ncc(F)cc1CN1CC[C@H](C2CCCCC2)C1 ZINC001231746334 1132352963 /nfs/dbraw/zinc/35/29/63/1132352963.db2.gz DEFNSGMVHYXIGR-AWEZNQCLSA-N 0 1 292.398 3.632 20 0 CHADMN CC(C)Oc1ncccc1CN(C)CCc1cccs1 ZINC001231759940 1132354770 /nfs/dbraw/zinc/35/47/70/1132354770.db2.gz ZCJBESKNMPQODS-UHFFFAOYSA-N 0 1 290.432 3.605 20 0 CHADMN CC(=O)[C@@H]1CCCN1[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172885468 1132358528 /nfs/dbraw/zinc/35/85/28/1132358528.db2.gz OVOFEIHEPIFZPQ-NHYWBVRUSA-N 0 1 297.851 3.874 20 0 CHADMN C[C@@H](CSc1ccc(Cl)cc1)N(C)C1(C)COC1 ZINC001172881558 1132358767 /nfs/dbraw/zinc/35/87/67/1132358767.db2.gz IGMIZJMUPSHGNN-NSHDSACASA-N 0 1 285.840 3.541 20 0 CHADMN CN(C(=O)[C@@H]1CCN1C(C)(C)C)c1cccc2ccccc21 ZINC001142294383 1132361914 /nfs/dbraw/zinc/36/19/14/1132361914.db2.gz CBANGKPMXLULFA-KRWDZBQOSA-N 0 1 296.414 3.675 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1ccc(CC(C)C)cc1 ZINC001231787485 1132361878 /nfs/dbraw/zinc/36/18/78/1132361878.db2.gz CELXONWMDINXAL-GOSISDBHSA-N 0 1 273.420 3.829 20 0 CHADMN CN[C@H](c1nc(-c2cccc(C)c2Cl)no1)C(C)C ZINC001249000603 1132369289 /nfs/dbraw/zinc/36/92/89/1132369289.db2.gz ZFFFQUIHCASSMB-LBPRGKRZSA-N 0 1 279.771 3.615 20 0 CHADMN Cc1ccccc1-c1ccccc1CN1CCO[C@@H](C)C1 ZINC001231812749 1132370823 /nfs/dbraw/zinc/37/08/23/1132370823.db2.gz RREYWCLAKRFPAN-INIZCTEOSA-N 0 1 281.399 3.883 20 0 CHADMN Cc1nc2cc(Nc3cccc4c3cnn4C)ccc2[nH]1 ZINC001213074446 1132371564 /nfs/dbraw/zinc/37/15/64/1132371564.db2.gz UZDZSZOFEFLMFA-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN FC1(F)CCCC[C@@H]1NC1CCC2(CCOCC2)CC1 ZINC001173042599 1132378679 /nfs/dbraw/zinc/37/86/79/1132378679.db2.gz XTRKSEARPLTHBN-AWEZNQCLSA-N 0 1 287.394 3.893 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1ccsc1Cl ZINC001142428142 1132385531 /nfs/dbraw/zinc/38/55/31/1132385531.db2.gz CQUWEBWUOMROQS-UHFFFAOYSA-N 0 1 277.736 3.530 20 0 CHADMN CC(C)c1ccccc1CN1CCN(Cc2ccco2)CC1 ZINC001231876064 1132387697 /nfs/dbraw/zinc/38/76/97/1132387697.db2.gz FCJQMYPVDONEKQ-UHFFFAOYSA-N 0 1 298.430 3.721 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1cccc2c1OCCO2 ZINC001231885985 1132389200 /nfs/dbraw/zinc/38/92/00/1132389200.db2.gz ZCNAQCSLZZNUQO-RMKNXTFCSA-N 0 1 295.382 3.603 20 0 CHADMN CCCOC1CCC(N2Cc3cnc(Cl)cc3C2)CC1 ZINC001173105213 1132391812 /nfs/dbraw/zinc/39/18/12/1132391812.db2.gz HOLRWBYXALZSQA-UHFFFAOYSA-N 0 1 294.826 3.788 20 0 CHADMN FC(F)c1cc(CN2CCC23CCCCC3)ccn1 ZINC001231890932 1132394945 /nfs/dbraw/zinc/39/49/45/1132394945.db2.gz QARZBOLZNKJYFY-UHFFFAOYSA-N 0 1 266.335 3.928 20 0 CHADMN COc1cccc2c(CN3CCCC[C@@H](F)C3)c[nH]c21 ZINC001231895489 1132396078 /nfs/dbraw/zinc/39/60/78/1132396078.db2.gz OZPIHDWXAPKKDD-CYBMUJFWSA-N 0 1 276.355 3.501 20 0 CHADMN CN(Cc1ncc(Cl)n1C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000841892159 1132401655 /nfs/dbraw/zinc/40/16/55/1132401655.db2.gz SZXJDQSMIMAHAJ-RYUDHWBXSA-N 0 1 283.847 3.720 20 0 CHADMN COc1ccnc(CN(Cc2ccccc2)C2CCC2)c1 ZINC001231971503 1132403438 /nfs/dbraw/zinc/40/34/38/1132403438.db2.gz CDEXHDYWSMANKD-UHFFFAOYSA-N 0 1 282.387 3.645 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCCC(=O)[C@@H](C)C1 ZINC001232001447 1132408492 /nfs/dbraw/zinc/40/84/92/1132408492.db2.gz BSSRYCMHMRJWJQ-LBPRGKRZSA-N 0 1 299.336 3.815 20 0 CHADMN Cc1cc(CN(C)C/C=C/c2ccccc2)cc(C)n1 ZINC001232001230 1132409212 /nfs/dbraw/zinc/40/92/12/1132409212.db2.gz NZSMVENUKVKMSM-JXMROGBWSA-N 0 1 266.388 3.844 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cc(C)nc(C)c2)cn1 ZINC001232001675 1132409487 /nfs/dbraw/zinc/40/94/87/1132409487.db2.gz VMERHHSBCPDROM-GOSISDBHSA-N 0 1 281.403 3.739 20 0 CHADMN CCC(CC)N(C)Cc1ccnc(Br)c1F ZINC001232030913 1132412853 /nfs/dbraw/zinc/41/28/53/1132412853.db2.gz BRCLRJOCPDNWHO-UHFFFAOYSA-N 0 1 289.192 3.604 20 0 CHADMN FC(F)(F)c1cccc(CN2CCC3(CCC3)CC2)n1 ZINC001232069317 1132415997 /nfs/dbraw/zinc/41/59/97/1132415997.db2.gz NCEAUCJQMLASCT-UHFFFAOYSA-N 0 1 284.325 3.867 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1cccc(C(F)(F)F)n1 ZINC001232067765 1132416086 /nfs/dbraw/zinc/41/60/86/1132416086.db2.gz VLCKETHEHXTGFI-QWRGUYRKSA-N 0 1 272.314 3.863 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1cc2ncccc2[nH]1 ZINC001232066086 1132416433 /nfs/dbraw/zinc/41/64/33/1132416433.db2.gz MHSSEMLWILKMQK-CYBMUJFWSA-N 0 1 295.386 3.765 20 0 CHADMN C[C@@H]1CCCN(Cc2cccc(C(F)(F)F)n2)CC1 ZINC001232068898 1132416510 /nfs/dbraw/zinc/41/65/10/1132416510.db2.gz JQRGUBMHKFIKJE-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN CCN(Cc1cc2ncccc2[nH]1)Cc1cccs1 ZINC001232066271 1132416811 /nfs/dbraw/zinc/41/68/11/1132416811.db2.gz TZXIGTKSXXCHEX-UHFFFAOYSA-N 0 1 271.389 3.647 20 0 CHADMN CCC(C)(C)c1ccc(CN2C[C@@H](F)C[C@H](CO)C2)cc1 ZINC001232078582 1132418083 /nfs/dbraw/zinc/41/80/83/1132418083.db2.gz AZAXMRNOWCLPON-RDJZCZTQSA-N 0 1 293.426 3.527 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cccc(C(F)(F)F)n1 ZINC001232071645 1132419505 /nfs/dbraw/zinc/41/95/05/1132419505.db2.gz LMHUUOYVALCENE-GFCCVEGCSA-N 0 1 272.314 3.865 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2ccc(C)nc2C)cn1 ZINC001232085306 1132421192 /nfs/dbraw/zinc/42/11/92/1132421192.db2.gz PKIKMEBAIRZFAP-SFHVURJKSA-N 0 1 281.403 3.739 20 0 CHADMN c1c2ccncc2[nH]c1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC001232093586 1132421615 /nfs/dbraw/zinc/42/16/15/1132421615.db2.gz FAFLPAWAGQIGRY-GUYCJALGSA-N 0 1 269.392 3.718 20 0 CHADMN CCCC[C@H](CC(C)C)n1c(CN)nc2cnccc21 ZINC001173256256 1132423638 /nfs/dbraw/zinc/42/36/38/1132423638.db2.gz ITKPSCLFWUYLPX-CYBMUJFWSA-N 0 1 274.412 3.667 20 0 CHADMN CCCC[C@@H](CC(C)C)[NH2+]CC(=O)c1ccc([O-])cc1 ZINC001173257269 1132425116 /nfs/dbraw/zinc/42/51/16/1132425116.db2.gz RUJWHLWHPUYTRU-HNNXBMFYSA-N 0 1 277.408 3.769 20 0 CHADMN CCN(Cc1c(Br)[nH]c2ccccc21)C1CC1 ZINC001232140180 1132428539 /nfs/dbraw/zinc/42/85/39/1132428539.db2.gz QVCMSDALUGZTGF-UHFFFAOYSA-N 0 1 293.208 3.915 20 0 CHADMN C[C@@H]1CCCN(Cc2nc(Cl)ccc2F)C[C@@H]1C ZINC001232156182 1132429167 /nfs/dbraw/zinc/42/91/67/1132429167.db2.gz YAJBWINPTLDPPS-MNOVXSKESA-N 0 1 270.779 3.742 20 0 CHADMN CN(CCc1cccs1)Cc1nc(Cl)ccc1F ZINC001232160220 1132430115 /nfs/dbraw/zinc/43/01/15/1132430115.db2.gz KDFNRVSZNNDZQM-UHFFFAOYSA-N 0 1 284.787 3.610 20 0 CHADMN Cc1scnc1CN1CCC[C@@H](Cc2ccccc2)C1 ZINC001232203985 1132433788 /nfs/dbraw/zinc/43/37/88/1132433788.db2.gz NAEYIIVACRRENZ-INIZCTEOSA-N 0 1 286.444 3.906 20 0 CHADMN c1cc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)sn1 ZINC001232192687 1132433978 /nfs/dbraw/zinc/43/39/78/1132433978.db2.gz VQJLNVCWURCKGK-HNNXBMFYSA-N 0 1 272.417 3.913 20 0 CHADMN CCN(CCc1ccc(OC)cc1)Cc1ncsc1C ZINC001232204890 1132434940 /nfs/dbraw/zinc/43/49/40/1132434940.db2.gz BUCGFLVDRVUZOH-UHFFFAOYSA-N 0 1 290.432 3.525 20 0 CHADMN Cc1scnc1CN1CCCC2(CC(F)C2)CC1 ZINC001232212417 1132436745 /nfs/dbraw/zinc/43/67/45/1132436745.db2.gz QGGNHXNZCJNFGN-UHFFFAOYSA-N 0 1 268.401 3.556 20 0 CHADMN CCCCCC[C@H](C)c1nc(C2(N)CCCC2)no1 ZINC000842589331 1132444061 /nfs/dbraw/zinc/44/40/61/1132444061.db2.gz JEYIPFKWYDDHGS-LBPRGKRZSA-N 0 1 265.401 3.872 20 0 CHADMN CC(C)c1ccc2cc(-c3nc([C@H]4CCCN4)no3)[nH]c2c1 ZINC000842641680 1132446968 /nfs/dbraw/zinc/44/69/68/1132446968.db2.gz DSNOVLLFAVDWDQ-CYBMUJFWSA-N 0 1 296.374 3.766 20 0 CHADMN CCCCC[C@H](c1nc([C@@H]2CCCN2)no1)C(C)C ZINC000842641763 1132447615 /nfs/dbraw/zinc/44/76/15/1132447615.db2.gz GEWMJPNSKHZNPJ-STQMWFEESA-N 0 1 265.401 3.814 20 0 CHADMN CCOc1ncc(CN2CCc3ccc(C)cc3C2)cc1C ZINC001232303074 1132450346 /nfs/dbraw/zinc/45/03/46/1132450346.db2.gz SHVNKZLNIGVPCM-UHFFFAOYSA-N 0 1 296.414 3.655 20 0 CHADMN CCSC[C@H](C)N1CCc2cc(Cl)ccc2C1 ZINC001173310641 1132450463 /nfs/dbraw/zinc/45/04/63/1132450463.db2.gz GSANXAXJINZCES-NSHDSACASA-N 0 1 269.841 3.840 20 0 CHADMN Cc1sc(CN2CCC3(CC3)C2)cc1Br ZINC001232291787 1132451250 /nfs/dbraw/zinc/45/12/50/1132451250.db2.gz ODEYLUGEIGZXSV-UHFFFAOYSA-N 0 1 286.238 3.805 20 0 CHADMN Cc1nc(Br)ccc1CN1CCC[C@@H](C)[C@H]1C ZINC001232322512 1132454183 /nfs/dbraw/zinc/45/41/83/1132454183.db2.gz KDYGWFVISYSAPX-ZYHUDNBSSA-N 0 1 297.240 3.773 20 0 CHADMN CC[C@H]1CC[C@@H](N2CCOC[C@H]2c2ccc(F)cc2)C1 ZINC001173282472 1132454512 /nfs/dbraw/zinc/45/45/12/1132454512.db2.gz GNYYELBKJRXJQI-XKQJLSEDSA-N 0 1 277.383 3.778 20 0 CHADMN COc1ccc(CN(C)Cc2cccc(Cl)c2)c(C)n1 ZINC001232333907 1132456109 /nfs/dbraw/zinc/45/61/09/1132456109.db2.gz NYVDEDZXFZFKBP-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN CSc1ccc(CN2CCC(C(C)C)CC2)cn1 ZINC001232333736 1132457116 /nfs/dbraw/zinc/45/71/16/1132457116.db2.gz ZUTBDCPTNYRJPG-UHFFFAOYSA-N 0 1 264.438 3.672 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(OC)nc2C)cc1 ZINC001232335789 1132457191 /nfs/dbraw/zinc/45/71/91/1132457191.db2.gz FQOWHYKOLNOMEF-UHFFFAOYSA-N 0 1 284.403 3.593 20 0 CHADMN CSc1cc(C)c(CN2CCC(C(F)F)CC2)cn1 ZINC001232348016 1132457532 /nfs/dbraw/zinc/45/75/32/1132457532.db2.gz JJIWKCYIHJSVFG-UHFFFAOYSA-N 0 1 286.391 3.589 20 0 CHADMN CCOc1ccc(OC)cc1CN(C)Cc1ccccc1 ZINC001232383473 1132461621 /nfs/dbraw/zinc/46/16/21/1132461621.db2.gz XRVHLHCMPJJPJH-UHFFFAOYSA-N 0 1 285.387 3.726 20 0 CHADMN Cc1cccc(C[N@@H+](C)CCc2ccccn2)c1OC(C)C ZINC001232390481 1132463593 /nfs/dbraw/zinc/46/35/93/1132463593.db2.gz WRPVNCZQNXNSMD-UHFFFAOYSA-N 0 1 298.430 3.852 20 0 CHADMN Cc1ccc(OC(C)C)c(CN2CC3(CCC3)C2)c1 ZINC001232396447 1132465961 /nfs/dbraw/zinc/46/59/61/1132465961.db2.gz ZHPMRJLAEOOGNN-UHFFFAOYSA-N 0 1 259.393 3.768 20 0 CHADMN C[C@H]1CCCCN(Cc2ccc(C(F)(F)F)o2)C1 ZINC001232442029 1132471747 /nfs/dbraw/zinc/47/17/47/1132471747.db2.gz VQOPTRMOLGXFDF-JTQLQIEISA-N 0 1 261.287 3.920 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1ccc(C(F)(F)F)o1 ZINC001232443697 1132471911 /nfs/dbraw/zinc/47/19/11/1132471911.db2.gz BSUHLOHVBPBBPU-VHSXEESVSA-N 0 1 261.287 3.919 20 0 CHADMN Cc1nc(C[N@@H+](C)Cc2cccc3ccccc32)c[nH]1 ZINC001232463092 1132472688 /nfs/dbraw/zinc/47/26/88/1132472688.db2.gz ZXQITYNVZDQCDD-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN Cc1nc(C[N@H+](C)Cc2cccc3ccccc32)c[nH]1 ZINC001232463092 1132472693 /nfs/dbraw/zinc/47/26/93/1132472693.db2.gz ZXQITYNVZDQCDD-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN Cc1nc(CN(C)Cc2cccc3ccccc32)c[nH]1 ZINC001232463092 1132472698 /nfs/dbraw/zinc/47/26/98/1132472698.db2.gz ZXQITYNVZDQCDD-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN CCc1csc(CN2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC001232475495 1132475666 /nfs/dbraw/zinc/47/56/66/1132475666.db2.gz NTJZBHUZQJSFBF-ZDUSSCGKSA-N 0 1 290.407 3.834 20 0 CHADMN Fc1ccnc(CN2CCC(Cc3ccccc3)CC2)c1 ZINC001232491572 1132480519 /nfs/dbraw/zinc/48/05/19/1132480519.db2.gz QBBVURCWEALLQU-UHFFFAOYSA-N 0 1 284.378 3.675 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1cccc(Br)c1N ZINC001232525378 1132483020 /nfs/dbraw/zinc/48/30/20/1132483020.db2.gz JOPCEKXAHAUOKP-WDEREUQCSA-N 0 1 297.240 3.652 20 0 CHADMN Cc1c(Br)cncc1CN1[C@@H](C)CCC[C@@H]1C ZINC001232526931 1132484171 /nfs/dbraw/zinc/48/41/71/1132484171.db2.gz DTXJULQCWURBRS-QWRGUYRKSA-N 0 1 297.240 3.915 20 0 CHADMN CC(C)(C)CNCc1nc(-c2cccc(Cl)c2F)no1 ZINC001249188431 1132486268 /nfs/dbraw/zinc/48/62/68/1132486268.db2.gz ABOIETAPLMTBOH-UHFFFAOYSA-N 0 1 297.761 3.665 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1cc2ccoc2cn1 ZINC001232556834 1132488256 /nfs/dbraw/zinc/48/82/56/1132488256.db2.gz MVPAPBOHDRYECR-ZDUSSCGKSA-N 0 1 278.355 3.775 20 0 CHADMN CCOc1ccnc(CN(C)Cc2ccc(C)c(C)c2)c1 ZINC001232587884 1132489633 /nfs/dbraw/zinc/48/96/33/1132489633.db2.gz MWRYTWOSQAVZFV-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN CC1(C)OC[C@H]2C[C@]21NCc1cc(Cl)ccc1Cl ZINC001203127823 1132491567 /nfs/dbraw/zinc/49/15/67/1132491567.db2.gz OZQGFMOZBLBTKF-YGRLFVJLSA-N 0 1 286.202 3.651 20 0 CHADMN CCOC(=O)c1ccc(CN(CC)C2CC2)c(Cl)c1 ZINC001232592428 1132491892 /nfs/dbraw/zinc/49/18/92/1132491892.db2.gz QGFPQXMEKVXNOD-UHFFFAOYSA-N 0 1 281.783 3.501 20 0 CHADMN CC(C)CC[C@H](CO)NCc1c(Cl)cccc1Cl ZINC001203128726 1132492335 /nfs/dbraw/zinc/49/23/35/1132492335.db2.gz XYKNYEZHHJYSEZ-LLVKDONJSA-N 0 1 290.234 3.880 20 0 CHADMN Fc1ccc([C@H]2CCCN2Cc2ccc3nccn3c2)cc1 ZINC001143019061 1132494183 /nfs/dbraw/zinc/49/41/83/1132494183.db2.gz VCPUFUKYHZURTJ-QGZVFWFLSA-N 0 1 295.361 3.811 20 0 CHADMN COc1cccc(C)c1CN1CCOC2(CCCCC2)C1 ZINC001232625726 1132496287 /nfs/dbraw/zinc/49/62/87/1132496287.db2.gz RXQYGBOSUDWNFA-UHFFFAOYSA-N 0 1 289.419 3.539 20 0 CHADMN CC[C@H](C)[N@@H+](C)Cc1ccc(Cl)c([O-])c1Cl ZINC001232625638 1132496885 /nfs/dbraw/zinc/49/68/85/1132496885.db2.gz ODLQPGYVEDCYFU-QMMMGPOBSA-N 0 1 262.180 3.929 20 0 CHADMN CCCCc1ccc(-c2nc([C@@H](N)C(C)C)no2)cc1 ZINC000843148936 1132497756 /nfs/dbraw/zinc/49/77/56/1132497756.db2.gz ZYNKKNBTKWTKLY-AWEZNQCLSA-N 0 1 273.380 3.735 20 0 CHADMN CC[C@@H](CC1CCCC1)c1nc([C@H](N)C(C)C)no1 ZINC000843150367 1132498071 /nfs/dbraw/zinc/49/80/71/1132498071.db2.gz AFKOPLWIARHMMP-QWHCGFSZSA-N 0 1 265.401 3.799 20 0 CHADMN C/C(=C/c1nc([C@H](N)C(C)C)no1)c1ccccc1Cl ZINC000843149039 1132498377 /nfs/dbraw/zinc/49/83/77/1132498377.db2.gz IEZKFHHOFAOVSS-QQBNSCQMSA-N 0 1 291.782 3.939 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@@H]2CC[C@@H](C(C)C)CC2)n1 ZINC000843149422 1132498555 /nfs/dbraw/zinc/49/85/55/1132498555.db2.gz NBIDKJVWTJVZCE-JHJVBQTASA-N 0 1 265.401 3.655 20 0 CHADMN Cc1ccc2c(-c3nc([C@H](N)C(C)C)no3)csc2c1 ZINC000843155277 1132498584 /nfs/dbraw/zinc/49/85/84/1132498584.db2.gz UTCDFWSVRFIBIT-CYBMUJFWSA-N 0 1 287.388 3.916 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@H](C)Oc2ccccc2Cl)n1 ZINC000843151961 1132498747 /nfs/dbraw/zinc/49/87/47/1132498747.db2.gz IPFGDONZKPQLJG-JOYOIKCWSA-N 0 1 295.770 3.519 20 0 CHADMN CC(C)[C@H](N)c1noc(/C(F)=C/C2CCCCC2)n1 ZINC000843152215 1132499003 /nfs/dbraw/zinc/49/90/03/1132499003.db2.gz HWUQQZUNUADXMR-KGTBHZDVSA-N 0 1 267.348 3.616 20 0 CHADMN CCCCC[C@H](CC)c1nc([C@@H](N)C(C)C)no1 ZINC000843151409 1132499044 /nfs/dbraw/zinc/49/90/44/1132499044.db2.gz ZFCMDJBCNMGORE-RYUDHWBXSA-N 0 1 253.390 3.799 20 0 CHADMN CN(Cc1ccncc1)Cc1cccc2c1CCCC2 ZINC001232633498 1132499056 /nfs/dbraw/zinc/49/90/56/1132499056.db2.gz AODRLSPFGJGNPV-UHFFFAOYSA-N 0 1 266.388 3.592 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000843184964 1132500925 /nfs/dbraw/zinc/50/09/25/1132500925.db2.gz ZMTVZCATSRVHRR-AWEZNQCLSA-N 0 1 298.390 3.915 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(-c2cc(C)ccc2F)no1 ZINC000843216498 1132503314 /nfs/dbraw/zinc/50/33/14/1132503314.db2.gz JAESOIJDLKQRED-CYBMUJFWSA-N 0 1 291.370 3.881 20 0 CHADMN Brc1ccc(CN2CCC[C@@H]3CCCC[C@H]32)[nH]1 ZINC001232687206 1132504679 /nfs/dbraw/zinc/50/46/79/1132504679.db2.gz DVEOPKHHKPGMSR-WCQYABFASA-N 0 1 297.240 3.932 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2ccc(Cl)cc2F)no1 ZINC000843235782 1132506861 /nfs/dbraw/zinc/50/68/61/1132506861.db2.gz UOQNIWRMDXWJTO-QMMMGPOBSA-N 0 1 283.734 3.590 20 0 CHADMN CC(C)N(C)Cc1cc(F)c(Cl)cc1Cl ZINC001232697465 1132508072 /nfs/dbraw/zinc/50/80/72/1132508072.db2.gz AEXKECITGVPZAY-UHFFFAOYSA-N 0 1 250.144 3.973 20 0 CHADMN CN(Cc1ccc2ncsc2c1)C1CC(F)(F)C1 ZINC001232736682 1132512287 /nfs/dbraw/zinc/51/22/87/1132512287.db2.gz IXOKHCSDCCJEPV-UHFFFAOYSA-N 0 1 268.332 3.526 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1cc2cccnc2[nH]1 ZINC001143212685 1132519770 /nfs/dbraw/zinc/51/97/70/1132519770.db2.gz XQRMIBIIQKGQTG-ZDUSSCGKSA-N 0 1 277.371 3.682 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1cc2cccnc2[nH]1 ZINC001143221986 1132520187 /nfs/dbraw/zinc/52/01/87/1132520187.db2.gz UAHXWPNKKNGVAY-CYBMUJFWSA-N 0 1 295.386 3.765 20 0 CHADMN Cc1cc(CN2C[C@H]3[C@H](CCC3(F)F)C2)c(F)cc1F ZINC001232784495 1132520335 /nfs/dbraw/zinc/52/03/35/1132520335.db2.gz LVNAJDKOYLCEML-PWSUYJOCSA-N 0 1 287.300 3.750 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1ccc(C(F)F)cc1 ZINC001143251995 1132524005 /nfs/dbraw/zinc/52/40/05/1132524005.db2.gz JGEUKFBDMLQJQT-CQSZACIVSA-N 0 1 267.319 3.568 20 0 CHADMN CCCn1cnc(CN(Cc2ccccc2)CC(C)C)c1 ZINC001232796445 1132524436 /nfs/dbraw/zinc/52/44/36/1132524436.db2.gz YVMZAHJFEQZTPD-UHFFFAOYSA-N 0 1 285.435 3.951 20 0 CHADMN COc1cc(CN(C)Cc2cccc(C)c2)c(OC)cc1C ZINC001232832285 1132526230 /nfs/dbraw/zinc/52/62/30/1132526230.db2.gz BXFCDMWAJLUMPT-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN C[C@H]1CN(Cc2cc(Br)co2)CCC[C@@H]1C ZINC001232851178 1132529997 /nfs/dbraw/zinc/52/99/97/1132529997.db2.gz ABWPIYYOQAMYAR-QWRGUYRKSA-N 0 1 286.213 3.910 20 0 CHADMN C[C@H]1CCCN(Cc2cc(Br)co2)CC1 ZINC001232852061 1132530604 /nfs/dbraw/zinc/53/06/04/1132530604.db2.gz KZHHPLZCMJIJEL-JTQLQIEISA-N 0 1 272.186 3.664 20 0 CHADMN Cc1cccc(CN(C)Cc2cc(Br)co2)c1 ZINC001232850949 1132531767 /nfs/dbraw/zinc/53/17/67/1132531767.db2.gz XGLGMAZFUPGZDD-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN Fc1cc(CN2CCCC[C@H]2C2CCC2)c(F)cn1 ZINC000843437356 1132534172 /nfs/dbraw/zinc/53/41/72/1132534172.db2.gz DUXOYKJIIGUZID-AWEZNQCLSA-N 0 1 266.335 3.514 20 0 CHADMN COc1c(F)ccc(CN2CCC[C@H]3CCC[C@H]32)c1F ZINC001143321510 1132536039 /nfs/dbraw/zinc/53/60/39/1132536039.db2.gz JKTPPTUOZRAUQH-BXUZGUMPSA-N 0 1 281.346 3.738 20 0 CHADMN COc1cc(CN2CC3(CCC3)C2)ccc1C(F)(F)F ZINC001143344221 1132539073 /nfs/dbraw/zinc/53/90/73/1132539073.db2.gz SLDNFOMQTOUFAW-UHFFFAOYSA-N 0 1 285.309 3.700 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2ccc3ncoc3c2)cn1 ZINC001232943582 1132548186 /nfs/dbraw/zinc/54/81/86/1132548186.db2.gz FJUZIMRDGVAJMN-KRWDZBQOSA-N 0 1 293.370 3.868 20 0 CHADMN Cc1cc(N)c(Nc2ccc(Cl)c(O)c2F)cc1F ZINC001214801271 1132552828 /nfs/dbraw/zinc/55/28/28/1132552828.db2.gz HGLTZCBSQKKUMZ-UHFFFAOYSA-N 0 1 284.693 3.958 20 0 CHADMN O=C1CCN(Cc2ccc(C3CC3)cc2)[C@H]2CCCC[C@@H]12 ZINC001232985073 1132556545 /nfs/dbraw/zinc/55/65/45/1132556545.db2.gz VPIBGHYQNPAROY-MSOLQXFVSA-N 0 1 283.415 3.898 20 0 CHADMN Cc1ncc(F)cc1CN1CCC[C@@H]1c1cccs1 ZINC001232988729 1132558841 /nfs/dbraw/zinc/55/88/41/1132558841.db2.gz GMXDVIFSOKZRDL-CQSZACIVSA-N 0 1 276.380 3.928 20 0 CHADMN COc1cc(Cl)cc(F)c1CN(C)C1CCCC1 ZINC001233002642 1132560274 /nfs/dbraw/zinc/56/02/74/1132560274.db2.gz ADEPUTSRYGNBII-UHFFFAOYSA-N 0 1 271.763 3.862 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc(C)cc2C)cc1 ZINC001233007252 1132563033 /nfs/dbraw/zinc/56/30/33/1132563033.db2.gz UPUZDWGHECWAQE-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN CCOC(=O)c1ccsc1CN(C)C1CCCCC1 ZINC001233018190 1132563624 /nfs/dbraw/zinc/56/36/24/1132563624.db2.gz RWVLUBHIHOVWRL-UHFFFAOYSA-N 0 1 281.421 3.689 20 0 CHADMN Oc1cnc(Cl)cc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC001233035290 1132564595 /nfs/dbraw/zinc/56/45/95/1132564595.db2.gz CWWQSTOHOSNJHX-AWEZNQCLSA-N 0 1 288.778 3.778 20 0 CHADMN [O-]c1cnc(Cl)cc1C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC001233039131 1132564882 /nfs/dbraw/zinc/56/48/82/1132564882.db2.gz NHIRNUJJIQNEAQ-ZDUSSCGKSA-N 0 1 294.826 3.843 20 0 CHADMN [O-]c1cnc(Cl)cc1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001233039131 1132564890 /nfs/dbraw/zinc/56/48/90/1132564890.db2.gz NHIRNUJJIQNEAQ-ZDUSSCGKSA-N 0 1 294.826 3.843 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1F ZINC001233052733 1132567206 /nfs/dbraw/zinc/56/72/06/1132567206.db2.gz VCGRBMWOAZRDBU-OAHLLOKOSA-N 0 1 285.362 3.911 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1F ZINC001233052733 1132567212 /nfs/dbraw/zinc/56/72/12/1132567212.db2.gz VCGRBMWOAZRDBU-OAHLLOKOSA-N 0 1 285.362 3.911 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(O)c2F)CC1 ZINC001233055831 1132567484 /nfs/dbraw/zinc/56/74/84/1132567484.db2.gz UUSJQZGOQAENHB-AULYBMBSSA-N 0 1 251.345 3.542 20 0 CHADMN C[C@H]1CC[C@H]([N@H+](C)Cc2cccc([O-])c2F)CC1 ZINC001233055831 1132567489 /nfs/dbraw/zinc/56/74/89/1132567489.db2.gz UUSJQZGOQAENHB-AULYBMBSSA-N 0 1 251.345 3.542 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2cccc([O-])c2F)CC1 ZINC001233055831 1132567494 /nfs/dbraw/zinc/56/74/94/1132567494.db2.gz UUSJQZGOQAENHB-AULYBMBSSA-N 0 1 251.345 3.542 20 0 CHADMN CCc1ccc(Nc2ccnn2-c2ccncc2)cc1 ZINC001173868491 1132570311 /nfs/dbraw/zinc/57/03/11/1132570311.db2.gz LYGISDVYBQRFTB-UHFFFAOYSA-N 0 1 264.332 3.573 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2cc(O)ccc2Br)C1 ZINC000131827445 1132572414 /nfs/dbraw/zinc/57/24/14/1132572414.db2.gz GWDXGLWWNGMJIE-PHIMTYICSA-N 0 1 298.224 3.633 20 0 CHADMN Cc1cc(CN2Cc3ccccc3C[C@@H]2C)cnc1C ZINC001233161015 1132575185 /nfs/dbraw/zinc/57/51/85/1132575185.db2.gz OWTNHKLJCIIFKT-AWEZNQCLSA-N 0 1 266.388 3.645 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CC[C@@H]2CCC[C@H]2C1 ZINC001233168526 1132576964 /nfs/dbraw/zinc/57/69/64/1132576964.db2.gz ZBGUJFKLWKQEFI-STQMWFEESA-N 0 1 294.826 3.756 20 0 CHADMN Cc1cccc(C)c1Nc1ccc(N2CCN(C)CC2)cc1 ZINC001173873505 1132577490 /nfs/dbraw/zinc/57/74/90/1132577490.db2.gz FWMIVPJWDBSQHB-UHFFFAOYSA-N 0 1 295.430 3.799 20 0 CHADMN Cc1nnc(S[C@@H](C)c2cccc(Cl)c2)[nH]1 ZINC000048834391 1132586735 /nfs/dbraw/zinc/58/67/35/1132586735.db2.gz ZYXFFCXIBQFNQM-ZETCQYMHSA-N 0 1 253.758 3.620 20 0 CHADMN Cc1n[nH]c(S[C@@H](C)c2cccc(Cl)c2)n1 ZINC000048834391 1132586741 /nfs/dbraw/zinc/58/67/41/1132586741.db2.gz ZYXFFCXIBQFNQM-ZETCQYMHSA-N 0 1 253.758 3.620 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)c2cc3c[nH]cnc-3n2)cc1 ZINC001152986786 1132588079 /nfs/dbraw/zinc/58/80/79/1132588079.db2.gz ZQTVDEARGMDLEU-LLVKDONJSA-N 0 1 294.358 3.675 20 0 CHADMN CCO[C@@H](C(=O)Nc1cccc(Cl)c1O)C1CCCC1 ZINC001152996267 1132589483 /nfs/dbraw/zinc/58/94/83/1132589483.db2.gz YBGIUJWADXXNGP-CQSZACIVSA-N 0 1 297.782 3.579 20 0 CHADMN Cc1ccc(Cl)cc1CN(C)Cc1cccnc1 ZINC001233248115 1132589505 /nfs/dbraw/zinc/58/95/05/1132589505.db2.gz YLERSWVYOARTRZ-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1c[nH]cc1C1CC1 ZINC001152995132 1132589779 /nfs/dbraw/zinc/58/97/79/1132589779.db2.gz ITBCXQOVWXWPQR-UHFFFAOYSA-N 0 1 276.723 3.503 20 0 CHADMN Cc1csc(CN2CCC(c3cccc(O)c3)CC2)n1 ZINC001204381101 1132590300 /nfs/dbraw/zinc/59/03/00/1132590300.db2.gz VQOFJVCLNKRYNV-UHFFFAOYSA-N 0 1 288.416 3.537 20 0 CHADMN [S-]c1ccc(C[N@H+]2CC[C@@H]2COCc2ccccc2)cc1 ZINC001233261548 1132590368 /nfs/dbraw/zinc/59/03/68/1132590368.db2.gz SQESHFQPNJDXLS-QGZVFWFLSA-N 0 1 299.439 3.766 20 0 CHADMN Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc([S-])cc2)no1 ZINC001233258628 1132591030 /nfs/dbraw/zinc/59/10/30/1132591030.db2.gz MNSLOQSKHNARHM-HNNXBMFYSA-N 0 1 274.389 3.609 20 0 CHADMN Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc([S-])cc2)no1 ZINC001233258628 1132591034 /nfs/dbraw/zinc/59/10/34/1132591034.db2.gz MNSLOQSKHNARHM-HNNXBMFYSA-N 0 1 274.389 3.609 20 0 CHADMN Cc1cccc(CC[N@H+](C)Cc2ccc([S-])cc2)c1 ZINC001233261640 1132591178 /nfs/dbraw/zinc/59/11/78/1132591178.db2.gz XLRPHSJONRXMEV-UHFFFAOYSA-N 0 1 271.429 3.958 20 0 CHADMN [S-]c1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC001233262276 1132592900 /nfs/dbraw/zinc/59/29/00/1132592900.db2.gz ZBTBWMHMHARCKT-UHFFFAOYSA-N 0 1 277.433 3.510 20 0 CHADMN Cc1cc(CN2CCc3ccccc3[C@@H]2C)sn1 ZINC001233310083 1132597366 /nfs/dbraw/zinc/59/73/66/1132597366.db2.gz PXHBCERCDBTPGH-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN FC1(F)CCN(Cc2cc3cccnc3s2)CC1 ZINC001233345428 1132606619 /nfs/dbraw/zinc/60/66/19/1132606619.db2.gz TVCLUPAISKGNSB-UHFFFAOYSA-N 0 1 268.332 3.527 20 0 CHADMN Clc1cccc2ncc(C[N@H+]3CC[C@@H]4CCC[C@H]4C3)n21 ZINC001233356464 1132609279 /nfs/dbraw/zinc/60/92/79/1132609279.db2.gz MXPFXIAMNAUNML-STQMWFEESA-N 0 1 289.810 3.610 20 0 CHADMN Clc1cccc2ncc(CN3CC[C@@H]4CCC[C@H]4C3)n21 ZINC001233356464 1132609284 /nfs/dbraw/zinc/60/92/84/1132609284.db2.gz MXPFXIAMNAUNML-STQMWFEESA-N 0 1 289.810 3.610 20 0 CHADMN Nc1ccc(CN2CC3(C2)CCCCC3)c(Cl)c1 ZINC001233377225 1132612123 /nfs/dbraw/zinc/61/21/23/1132612123.db2.gz UUWAWPNQCJIGMB-UHFFFAOYSA-N 0 1 264.800 3.688 20 0 CHADMN O=c1ccn(-c2ccc(Nc3ccc(F)cc3F)cc2)[nH]1 ZINC001173927492 1132614031 /nfs/dbraw/zinc/61/40/31/1132614031.db2.gz CRSYBFKKCHZHSI-UHFFFAOYSA-N 0 1 287.269 3.600 20 0 CHADMN CCc1ccc(CN(C)Cc2cc(F)c(F)cc2N)cc1 ZINC001233381667 1132614569 /nfs/dbraw/zinc/61/45/69/1132614569.db2.gz NPXBJCCDFSKLQW-UHFFFAOYSA-N 0 1 290.357 3.741 20 0 CHADMN Clc1ccn2cc(CN3CC4CCC(CC4)C3)nc2c1 ZINC001233392450 1132616541 /nfs/dbraw/zinc/61/65/41/1132616541.db2.gz ZWYOOUVTCPQUDJ-UHFFFAOYSA-N 0 1 289.810 3.610 20 0 CHADMN COc1ccc(CN2CCC[C@H](C)[C@H]2C)c(Cl)c1O ZINC001233400383 1132616713 /nfs/dbraw/zinc/61/67/13/1132616713.db2.gz GSGMSJJNNRFELZ-WDEREUQCSA-N 0 1 283.799 3.675 20 0 CHADMN COc1ccc(CN2C[C@@H](C)C[C@H](C)C2)c(Cl)c1O ZINC001233400963 1132617295 /nfs/dbraw/zinc/61/72/95/1132617295.db2.gz GNWHGMPOOOLOMU-QWRGUYRKSA-N 0 1 283.799 3.532 20 0 CHADMN COc1ccnc(N[C@@H](c2ccccc2)C2CC2)c1 ZINC001154642688 1132619680 /nfs/dbraw/zinc/61/96/80/1132619680.db2.gz QVAABVVQEQSZOL-INIZCTEOSA-N 0 1 254.333 3.653 20 0 CHADMN Clc1cccn2cc(CN3CCC4(CCC4)CC3)nc12 ZINC001233420442 1132621619 /nfs/dbraw/zinc/62/16/19/1132621619.db2.gz LWNUDKRTIWUDEE-UHFFFAOYSA-N 0 1 289.810 3.754 20 0 CHADMN FC(F)(F)c1ccc(Nc2ccncc2)cc1Cl ZINC001173882390 1132623400 /nfs/dbraw/zinc/62/34/00/1132623400.db2.gz HIKPZMXSVUMLMR-UHFFFAOYSA-N 0 1 272.657 3.919 20 0 CHADMN CCc1ccc(Nc2ccncc2)c(Br)c1 ZINC001173884023 1132624703 /nfs/dbraw/zinc/62/47/03/1132624703.db2.gz CNRUSUMGHIELDC-UHFFFAOYSA-N 0 1 277.165 3.572 20 0 CHADMN Cc1cc(Nc2ccncc2)ccc1NC(=O)OC(C)(C)C ZINC001173884005 1132625187 /nfs/dbraw/zinc/62/51/87/1132625187.db2.gz BQYMVWRGZZTGKE-UHFFFAOYSA-N 0 1 299.374 3.903 20 0 CHADMN Cc1ccc(NC(=O)OC(C)(C)C)cc1Nc1ccncc1 ZINC001173884710 1132625212 /nfs/dbraw/zinc/62/52/12/1132625212.db2.gz XIWNEBYUBYZYCD-UHFFFAOYSA-N 0 1 299.374 3.903 20 0 CHADMN c1cc(Nc2ccc(OC3CCCCC3)cc2)ccn1 ZINC001173884791 1132625452 /nfs/dbraw/zinc/62/54/52/1132625452.db2.gz RENASLQNEZUBEO-UHFFFAOYSA-N 0 1 268.360 3.959 20 0 CHADMN CCC(CC)Oc1ccc(Nc2ccncc2)cc1 ZINC001173884083 1132625692 /nfs/dbraw/zinc/62/56/92/1132625692.db2.gz GJFLBHJCXKEFEF-UHFFFAOYSA-N 0 1 256.349 3.815 20 0 CHADMN Cn1ccc2cc(CNc3ccc4c(n3)CCC4)ccc21 ZINC001154803888 1132625735 /nfs/dbraw/zinc/62/57/35/1132625735.db2.gz GZUNBWBVIULRHT-UHFFFAOYSA-N 0 1 277.371 3.674 20 0 CHADMN FC(F)(F)c1cc(Nc2ccncc2)cc2ncccc21 ZINC001173884296 1132625885 /nfs/dbraw/zinc/62/58/85/1132625885.db2.gz LXXZHMHIDOUYJM-UHFFFAOYSA-N 0 1 289.260 3.814 20 0 CHADMN CC(C)N(Cc1ccccc1)Cc1cncc(Cl)n1 ZINC001233446092 1132626036 /nfs/dbraw/zinc/62/60/36/1132626036.db2.gz HYFPTKKAANLWBP-UHFFFAOYSA-N 0 1 275.783 3.541 20 0 CHADMN Cc1cc2ccccc2c(N[C@H]2CC[C@](C)(O)CC2)n1 ZINC001154954108 1132632651 /nfs/dbraw/zinc/63/26/51/1132632651.db2.gz JRJLFYBBFZZMLN-CZIWCDLHSA-N 0 1 270.376 3.649 20 0 CHADMN Clc1cccc2nc(CN3C[C@@H]4CCCC[C@@H]4C3)cn21 ZINC001233561944 1132637969 /nfs/dbraw/zinc/63/79/69/1132637969.db2.gz ATTCFJDURBYWQU-BETUJISGSA-N 0 1 289.810 3.610 20 0 CHADMN Clc1cccc2nc(CN3CC[C@H]4CCC[C@H]4C3)cn21 ZINC001233563813 1132638331 /nfs/dbraw/zinc/63/83/31/1132638331.db2.gz ROXCEGYKJYSOBH-OLZOCXBDSA-N 0 1 289.810 3.610 20 0 CHADMN COc1cc2ccnc(NC(=N)C(C)(C)C)c2cc1OC ZINC001155181194 1132646202 /nfs/dbraw/zinc/64/62/02/1132646202.db2.gz KWAIPIAHWUIMDJ-UHFFFAOYSA-N 0 1 287.363 3.687 20 0 CHADMN COCCN(C)Cc1ccc(C)cc1OCc1ccccc1 ZINC001233618627 1132649365 /nfs/dbraw/zinc/64/93/65/1132649365.db2.gz POLLPENDBNGKNJ-UHFFFAOYSA-N 0 1 299.414 3.652 20 0 CHADMN Cc1cccc2ncc(Nc3ccc4[nH]ccc4c3)n21 ZINC001173938370 1132649829 /nfs/dbraw/zinc/64/98/29/1132649829.db2.gz MGTBWLFMKAYQQU-UHFFFAOYSA-N 0 1 262.316 3.868 20 0 CHADMN Cc1cc(Nc2ccc3[nH]ccc3c2)n(-c2ccncc2)n1 ZINC001173940409 1132651807 /nfs/dbraw/zinc/65/18/07/1132651807.db2.gz POQHEVFFIBJYFT-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN CC(C)(C)c1ccc(-c2noc(-c3cnccc3N)n2)cc1 ZINC001212999160 1132666236 /nfs/dbraw/zinc/66/62/36/1132666236.db2.gz QLTRTLVDILFTCS-UHFFFAOYSA-N 0 1 294.358 3.509 20 0 CHADMN Cc1cc(CN2CCc3ncc(C)cc3C2)sc1C ZINC001233701008 1132666385 /nfs/dbraw/zinc/66/63/85/1132666385.db2.gz WCTCHFCNVXWVKW-UHFFFAOYSA-N 0 1 272.417 3.627 20 0 CHADMN Cc1cc(C[N@H+](C)Cc2cccc3c2OCO3)sc1C ZINC001233710248 1132667459 /nfs/dbraw/zinc/66/74/59/1132667459.db2.gz OTIKZOPOZFENRL-UHFFFAOYSA-N 0 1 289.400 3.726 20 0 CHADMN Cc1cc(CN(C)Cc2cccc3c2OCO3)sc1C ZINC001233710248 1132667464 /nfs/dbraw/zinc/66/74/64/1132667464.db2.gz OTIKZOPOZFENRL-UHFFFAOYSA-N 0 1 289.400 3.726 20 0 CHADMN Cc1cc(Br)nc(NC2=CCCC2)c1 ZINC001173997777 1132670134 /nfs/dbraw/zinc/67/01/34/1132670134.db2.gz UPJOWCJUIJEDIH-UHFFFAOYSA-N 0 1 253.143 3.632 20 0 CHADMN Cc1ccc(N(C)CC/C=C/c2cccnc2)nc1C ZINC001155970901 1132673458 /nfs/dbraw/zinc/67/34/58/1132673458.db2.gz LRUXGLLAQIOJLY-QPJJXVBHSA-N 0 1 267.376 3.633 20 0 CHADMN CC[C@@H]1CCCN1Cc1ccc(Br)c(F)c1 ZINC000722034670 1132681409 /nfs/dbraw/zinc/68/14/09/1132681409.db2.gz YFLORPQZBOHQST-LLVKDONJSA-N 0 1 286.188 3.963 20 0 CHADMN Nc1cn(-c2ccnc3ccccc32)c2nccc(Cl)c12 ZINC001174038418 1132701265 /nfs/dbraw/zinc/70/12/65/1132701265.db2.gz VAIFYHAFRMSKTC-UHFFFAOYSA-N 0 1 294.745 3.809 20 0 CHADMN CCCCCC[C@@](C)(CC)C(=O)NCc1cnc(CC)[nH]1 ZINC001156538606 1132703498 /nfs/dbraw/zinc/70/34/98/1132703498.db2.gz YBWNQFMAODYQQR-QGZVFWFLSA-N 0 1 293.455 3.975 20 0 CHADMN Nc1ccc(F)c2ccn(-c3ccnc4ccccc43)c21 ZINC001174038970 1132704103 /nfs/dbraw/zinc/70/41/03/1132704103.db2.gz HQFBHUFGLSYSHS-UHFFFAOYSA-N 0 1 277.302 3.900 20 0 CHADMN Cn1ccc2cc(Nc3ccnn3-c3ccncc3)ccc21 ZINC001174097772 1132714504 /nfs/dbraw/zinc/71/45/04/1132714504.db2.gz WELQRAXEAGHTDF-UHFFFAOYSA-N 0 1 289.342 3.503 20 0 CHADMN CCOc1ccc2cc(Nc3cncn3C)ccc2c1 ZINC001174107565 1132723572 /nfs/dbraw/zinc/72/35/72/1132723572.db2.gz WJJPAXBATGGVDP-UHFFFAOYSA-N 0 1 267.332 3.716 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)CC(C)(C)C2CC2)n[nH]1 ZINC001157199892 1132723851 /nfs/dbraw/zinc/72/38/51/1132723851.db2.gz KPKSZLKEJMRCSF-HNNXBMFYSA-N 0 1 289.423 3.598 20 0 CHADMN CC(C)N1CC(Nc2nc(Cl)cc3ccc(F)cc32)C1 ZINC001157525606 1132733821 /nfs/dbraw/zinc/73/38/21/1132733821.db2.gz FZPGFMFIUHSSNE-UHFFFAOYSA-N 0 1 293.773 3.532 20 0 CHADMN Cc1ccc(N2CCC(c3ccc(N)cc3)CC2)nc1C ZINC001157699753 1132739379 /nfs/dbraw/zinc/73/93/79/1132739379.db2.gz VYHWVZCWJWUSEK-UHFFFAOYSA-N 0 1 281.403 3.665 20 0 CHADMN CCOc1ccc(Nc2ccc3nccn3c2)cc1F ZINC001174279557 1132769355 /nfs/dbraw/zinc/76/93/55/1132769355.db2.gz AOJOAHOZGIMVSD-UHFFFAOYSA-N 0 1 271.295 3.616 20 0 CHADMN Oc1cccc(C(F)(F)F)c1Nc1ccc2nccn2c1 ZINC001174279935 1132769464 /nfs/dbraw/zinc/76/94/64/1132769464.db2.gz OPCOBLZFIFKEHA-UHFFFAOYSA-N 0 1 293.248 3.802 20 0 CHADMN COc1ccc(Nc2ccc3nccn3c2)c2ccncc12 ZINC001174279527 1132769673 /nfs/dbraw/zinc/76/96/73/1132769673.db2.gz DRKWTPYOFNETTB-UHFFFAOYSA-N 0 1 290.326 3.635 20 0 CHADMN CCc1ccc(OC)c(Nc2ccc3nccn3c2)c1 ZINC001174279860 1132769984 /nfs/dbraw/zinc/76/99/84/1132769984.db2.gz KUUSJZMNTFHUPP-UHFFFAOYSA-N 0 1 267.332 3.649 20 0 CHADMN Clc1cc2ncoc2cc1Nc1ccc2nccn2c1 ZINC001174279494 1132770338 /nfs/dbraw/zinc/77/03/38/1132770338.db2.gz BZOWMUZVOPAEPC-UHFFFAOYSA-N 0 1 284.706 3.873 20 0 CHADMN FC(F)(F)Oc1ccc(Nc2ccc3nccn3c2)cc1 ZINC001174276627 1132784331 /nfs/dbraw/zinc/78/43/31/1132784331.db2.gz KXERLLYBHNFINO-UHFFFAOYSA-N 0 1 293.248 3.977 20 0 CHADMN Clc1cnc(Cl)c(Nc2ccc3nccn3c2)c1 ZINC001174275560 1132784380 /nfs/dbraw/zinc/78/43/80/1132784380.db2.gz BFRZVBPFOITXMA-UHFFFAOYSA-N 0 1 279.130 3.780 20 0 CHADMN CCCOc1ccc(Nc2ccc3nccn3c2)cc1 ZINC001174276955 1132785143 /nfs/dbraw/zinc/78/51/43/1132785143.db2.gz ZIWCJYCUQZEUEQ-UHFFFAOYSA-N 0 1 267.332 3.867 20 0 CHADMN Cc1cc(C(F)(F)F)ncc1Nc1ccc2nccn2c1 ZINC001174277399 1132785281 /nfs/dbraw/zinc/78/52/81/1132785281.db2.gz SOGWVOIFPLLFSU-UHFFFAOYSA-N 0 1 292.264 3.800 20 0 CHADMN Cc1cc(Nc2ccc3nccn3c2)c2ccsc2n1 ZINC001174278624 1132785318 /nfs/dbraw/zinc/78/53/18/1132785318.db2.gz NZIXIDQOIBWTRB-UHFFFAOYSA-N 0 1 280.356 3.996 20 0 CHADMN Cn1cc(Nc2cc(Cl)c(Cl)c(Cl)c2O)cn1 ZINC001174331962 1132795255 /nfs/dbraw/zinc/79/52/55/1132795255.db2.gz HVICVKSMQLKZJR-UHFFFAOYSA-N 0 1 292.553 3.830 20 0 CHADMN CCOc1ccnc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC001158793748 1132794534 /nfs/dbraw/zinc/79/45/34/1132794534.db2.gz PDVKFICNRMFHOA-NVXWUHKLSA-N 0 1 298.386 3.813 20 0 CHADMN Cc1cnc(NCc2ccc(-c3ccccn3)cc2)c(N)c1 ZINC001158912024 1132798013 /nfs/dbraw/zinc/79/80/13/1132798013.db2.gz MPOUNRCYPBAPLM-UHFFFAOYSA-N 0 1 290.370 3.646 20 0 CHADMN Clc1ccc2nccc(Nc3cccc4[nH]ncc43)c2c1 ZINC001174343054 1132799142 /nfs/dbraw/zinc/79/91/42/1132799142.db2.gz OUCGBJLYKWWZNM-UHFFFAOYSA-N 0 1 294.745 3.930 20 0 CHADMN c1n[nH]c2cccc(Nc3ccc(N4CCCCC4)nc3)c12 ZINC001174342699 1132799232 /nfs/dbraw/zinc/79/92/32/1132799232.db2.gz LLDYQRHELBVCJP-UHFFFAOYSA-N 0 1 293.374 3.692 20 0 CHADMN c1n[nH]c2cccc(Nc3cnccc3C3CCC3)c12 ZINC001174342429 1132799342 /nfs/dbraw/zinc/79/93/42/1132799342.db2.gz AZPPDHWZTOLFFN-UHFFFAOYSA-N 0 1 264.332 3.969 20 0 CHADMN Oc1cccc2sc(Nc3cccc4[nH]ncc43)nc21 ZINC001174342642 1132799805 /nfs/dbraw/zinc/79/98/05/1132799805.db2.gz KQHHPMIRWXIJJU-UHFFFAOYSA-N 0 1 282.328 3.622 20 0 CHADMN Clc1cc(Nc2cccc3[nH]ncc32)cn2ccnc12 ZINC001174342415 1132800406 /nfs/dbraw/zinc/80/04/06/1132800406.db2.gz AKWVJBXYOJPNGP-UHFFFAOYSA-N 0 1 283.722 3.608 20 0 CHADMN COc1nc(Nc2cccc3[nH]ncc32)cc2ccccc21 ZINC001174344483 1132802317 /nfs/dbraw/zinc/80/23/17/1132802317.db2.gz COPDPUZFNJZVOW-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN c1n[nH]c2cccc(Nc3cc(C4CCCC4)no3)c12 ZINC001174343091 1132802723 /nfs/dbraw/zinc/80/27/23/1132802723.db2.gz POWNYNKDSGORMK-UHFFFAOYSA-N 0 1 268.320 3.952 20 0 CHADMN c1n[nH]c2cccc(Nc3ccc(-c4ccncn4)cc3)c12 ZINC001174345821 1132803225 /nfs/dbraw/zinc/80/32/25/1132803225.db2.gz VAWCIJBYQZZUSE-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN COc1cccc(Cl)c1Nc1cccc2[nH]ncc21 ZINC001174345365 1132803900 /nfs/dbraw/zinc/80/39/00/1132803900.db2.gz WTEBFFMIBGSNLO-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN Oc1cccc(Nc2cccc3[nH]ncc32)c1Cl ZINC001174345758 1132804205 /nfs/dbraw/zinc/80/42/05/1132804205.db2.gz QTAYASHMUKLLHC-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN CC(=O)c1ccc(C)cc1Nc1cccc2[nH]ncc21 ZINC001174345296 1132804294 /nfs/dbraw/zinc/80/42/94/1132804294.db2.gz RVDGWLJNIBCSRK-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN CO[C@@H]1CCOc2c(Nc3cccc4[nH]ncc43)cccc21 ZINC001174345386 1132804907 /nfs/dbraw/zinc/80/49/07/1132804907.db2.gz XPMMUSNFZAWAKV-MRXNPFEDSA-N 0 1 295.342 3.777 20 0 CHADMN FC(F)(F)Oc1cc(Nc2cccc3[nH]ncc32)ccn1 ZINC001174344691 1132804951 /nfs/dbraw/zinc/80/49/51/1132804951.db2.gz NVHLVRWZNIKULZ-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN Cc1nn(C)c2ccc(Nc3cccc4[nH]ncc43)cc12 ZINC001174345434 1132805079 /nfs/dbraw/zinc/80/50/79/1132805079.db2.gz ALYQMYHSWLEIMF-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN COc1ccc(Nc2cccc3[nH]ncc32)c(C(C)=O)c1 ZINC001174347011 1132805568 /nfs/dbraw/zinc/80/55/68/1132805568.db2.gz GHUHVRUAJFLCRA-UHFFFAOYSA-N 0 1 281.315 3.518 20 0 CHADMN Clc1ncnc2ccc(Nc3cccc4[nH]ncc43)cc12 ZINC001174346614 1132806098 /nfs/dbraw/zinc/80/60/98/1132806098.db2.gz AVRLVEGKBMLPSM-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN CCN(C)c1ccc(Nc2cccc3[nH]ncc32)cc1 ZINC001174346638 1132806276 /nfs/dbraw/zinc/80/62/76/1132806276.db2.gz BXDMDYZTZYSVGB-UHFFFAOYSA-N 0 1 266.348 3.763 20 0 CHADMN O=C1CCCc2cccc(Nc3cccc4[nH]ncc43)c21 ZINC001174348343 1132806778 /nfs/dbraw/zinc/80/67/78/1132806778.db2.gz ZDSKORUJRGWGNS-UHFFFAOYSA-N 0 1 277.327 3.826 20 0 CHADMN Cc1ccnc(F)c1NC1=CCCN(Cc2ccccc2)C1 ZINC001174392917 1132808177 /nfs/dbraw/zinc/80/81/77/1132808177.db2.gz MKUIPSAPWVFFRW-UHFFFAOYSA-N 0 1 297.377 3.731 20 0 CHADMN Cc1cc(Nc2cnc3[nH]ccc3c2)c2ccccc2n1 ZINC001174394383 1132811264 /nfs/dbraw/zinc/81/12/64/1132811264.db2.gz JRFJESZENDOKHO-UHFFFAOYSA-N 0 1 274.327 3.537 20 0 CHADMN Oc1ccc(F)c(NC2=CCCN(Cc3ccccc3)C2)c1 ZINC001174397397 1132811946 /nfs/dbraw/zinc/81/19/46/1132811946.db2.gz XSXRYXLANNKYDK-UHFFFAOYSA-N 0 1 298.361 3.733 20 0 CHADMN Cc1cccc(O)c1NC1=CCCN(Cc2ccccc2)C1 ZINC001174397084 1132812119 /nfs/dbraw/zinc/81/21/19/1132812119.db2.gz MQVGCVXRNIWXRD-UHFFFAOYSA-N 0 1 294.398 3.902 20 0 CHADMN CCCCC[C@@H](C)CC(=O)Nc1c2nn[nH]c2ccc1C ZINC001159305106 1132826517 /nfs/dbraw/zinc/82/65/17/1132826517.db2.gz WOBBQJUNQKJYDN-LLVKDONJSA-N 0 1 288.395 3.811 20 0 CHADMN Cc1ccc(F)c(Nc2cc([C@H]3CCCCN3)no2)c1 ZINC001159307832 1132827576 /nfs/dbraw/zinc/82/75/76/1132827576.db2.gz FDQGYSUWFTYRAO-GFCCVEGCSA-N 0 1 275.327 3.680 20 0 CHADMN Fc1ccc(Nc2cc([C@H]3CCCCN3)no2)c(F)c1 ZINC001159309246 1132828104 /nfs/dbraw/zinc/82/81/04/1132828104.db2.gz RRPYVRZUZFDCHH-GFCCVEGCSA-N 0 1 279.290 3.511 20 0 CHADMN Fc1ccc(Cl)c([N-]c2cc([C@@H]3CCC[NH2+]3)no2)c1F ZINC001159308121 1132828620 /nfs/dbraw/zinc/82/86/20/1132828620.db2.gz GUONNUUZAYKIJS-VIFPVBQESA-N 0 1 299.708 3.774 20 0 CHADMN Oc1ccc(Cl)cc1Nc1cc([C@H]2CCCCN2)no1 ZINC001159311090 1132829449 /nfs/dbraw/zinc/82/94/49/1132829449.db2.gz GHPQXBBZWDAAAB-SNVBAGLBSA-N 0 1 293.754 3.592 20 0 CHADMN FC1(F)CCC(=Nc2cc([C@H]3CCCCN3)no2)CC1 ZINC001159313287 1132830535 /nfs/dbraw/zinc/83/05/35/1132830535.db2.gz LEFVUJHRDBNEKA-LLVKDONJSA-N 0 1 283.322 3.604 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2c(c1)NCC2 ZINC001159431164 1132842812 /nfs/dbraw/zinc/84/28/12/1132842812.db2.gz WFYSBZFAPJTHFY-UHFFFAOYSA-N 0 1 264.332 3.583 20 0 CHADMN Cc1ccc(Nc2ccc3c(c2)NCC3)c2cn[nH]c21 ZINC001159432177 1132844050 /nfs/dbraw/zinc/84/40/50/1132844050.db2.gz VWMHZJNAPQGQBT-UHFFFAOYSA-N 0 1 264.332 3.583 20 0 CHADMN Clc1cc2[nH]ncc2c(Nc2cccc3c2NCC3)c1 ZINC001159457939 1132849109 /nfs/dbraw/zinc/84/91/09/1132849109.db2.gz NMSWJHXVNOUEQN-UHFFFAOYSA-N 0 1 284.750 3.928 20 0 CHADMN Cc1cc2ccccc2c(NCc2nccc(Cl)n2)n1 ZINC001159479477 1132852480 /nfs/dbraw/zinc/85/24/80/1132852480.db2.gz SOHJPIJMZOEKBC-UHFFFAOYSA-N 0 1 284.750 3.599 20 0 CHADMN Cn1ccc2c1cccc2Nc1cccc2[nH]ncc21 ZINC001159574270 1132864185 /nfs/dbraw/zinc/86/41/85/1132864185.db2.gz PFOOLJMUDWLHLP-UHFFFAOYSA-N 0 1 262.316 3.798 20 0 CHADMN CCOc1ccc(Nc2cccc3[nH]ncc32)cc1 ZINC001159574459 1132864420 /nfs/dbraw/zinc/86/44/20/1132864420.db2.gz SMRBBTJFJSTKDH-UHFFFAOYSA-N 0 1 253.305 3.705 20 0 CHADMN Clc1cccc2nc(Nc3ccc4cn[nH]c4c3)cn21 ZINC001174499308 1132865156 /nfs/dbraw/zinc/86/51/56/1132865156.db2.gz RZAQWBCXOPKRCT-UHFFFAOYSA-N 0 1 283.722 3.608 20 0 CHADMN Oc1ccc(Cl)c(Nc2cccc3[nH]ncc32)c1F ZINC001159575085 1132865644 /nfs/dbraw/zinc/86/56/44/1132865644.db2.gz SXFXVXDWDACQCC-UHFFFAOYSA-N 0 1 277.686 3.805 20 0 CHADMN c1[nH]nc2cc(Nc3cncc(N4CCCCC4)c3)ccc12 ZINC001174499537 1132866272 /nfs/dbraw/zinc/86/62/72/1132866272.db2.gz YPMIXQHDGCFUER-UHFFFAOYSA-N 0 1 293.374 3.692 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccsc1C ZINC001174460322 1132871421 /nfs/dbraw/zinc/87/14/21/1132871421.db2.gz OFWRMYYQEODJIG-UHFFFAOYSA-N 0 1 261.325 3.895 20 0 CHADMN Cc1cnccc1Nc1cc(-c2ccc(Cl)cc2)no1 ZINC001174537041 1132897966 /nfs/dbraw/zinc/89/79/66/1132897966.db2.gz TZWBJMCZBXCNHL-UHFFFAOYSA-N 0 1 285.734 3.864 20 0 CHADMN O[C@H]1CCCc2ccc(Nc3ccc4c[nH]nc4c3)cc21 ZINC001174501443 1132902830 /nfs/dbraw/zinc/90/28/30/1132902830.db2.gz SXZRCAWSIINDPH-KRWDZBQOSA-N 0 1 279.343 3.676 20 0 CHADMN c1[nH]nc2cc(Nc3ccc(-c4ccncn4)cc3)ccc12 ZINC001174501537 1132903047 /nfs/dbraw/zinc/90/30/47/1132903047.db2.gz XZQXBLGZKYSXDT-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN Nc1cc(F)cc(Nc2ccc3c[nH]nc3c2)c1Cl ZINC001174502392 1132904610 /nfs/dbraw/zinc/90/46/10/1132904610.db2.gz MUWDIKQGNGGYDX-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2nc(N)sc2c1 ZINC001159820640 1132911673 /nfs/dbraw/zinc/91/16/73/1132911673.db2.gz JSLUHRGHCVYOOS-UHFFFAOYSA-N 0 1 295.371 3.807 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(N)ccc1Cl ZINC001159876316 1132919234 /nfs/dbraw/zinc/91/92/34/1132919234.db2.gz PPVYNKUPUFFLOV-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Nc1cccc(F)c1NC1=CCCN(Cc2ccccc2)C1 ZINC001159901075 1132920396 /nfs/dbraw/zinc/92/03/96/1132920396.db2.gz SQRIIKRINGGZHI-UHFFFAOYSA-N 0 1 297.377 3.610 20 0 CHADMN Cc1cc(Nc2ccc(O)cc2C)c2ccccc2n1 ZINC001174559492 1132924044 /nfs/dbraw/zinc/92/40/44/1132924044.db2.gz MXZVNGHVFWBOLP-UHFFFAOYSA-N 0 1 264.328 3.723 20 0 CHADMN COc1cc(Nc2cnc(OC(C)C)c(C)c2)ncc1C ZINC001214940409 1132941619 /nfs/dbraw/zinc/94/16/19/1132941619.db2.gz KLIRSLFADFHKMT-UHFFFAOYSA-N 0 1 287.363 3.633 20 0 CHADMN COC(=O)[C@]1(NC[C@@H]2CC[C@H]3C[C@H]3C2)CCCC(C)(C)C1 ZINC001174680562 1132946532 /nfs/dbraw/zinc/94/65/32/1132946532.db2.gz JIQWXRMHJCEBIA-FSZRXZPDSA-N 0 1 293.451 3.524 20 0 CHADMN COc1cc(F)cc(CNc2cc(OC(C)C)ccn2)c1 ZINC001160215143 1132948939 /nfs/dbraw/zinc/94/89/39/1132948939.db2.gz XYFPWFFRQVJIIK-UHFFFAOYSA-N 0 1 290.338 3.629 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccc(C)c1N ZINC001160302861 1132959531 /nfs/dbraw/zinc/95/95/31/1132959531.db2.gz OMUBKEJUOGTRFF-UHFFFAOYSA-N 0 1 279.343 3.878 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(OC)c(N)c1 ZINC001160311456 1132959882 /nfs/dbraw/zinc/95/98/82/1132959882.db2.gz SETDLZQPTGUSSU-UHFFFAOYSA-N 0 1 295.342 3.578 20 0 CHADMN CC(C)(C)c1coc(CN2CCC[C@@H](C3CCC3)C2)n1 ZINC001174705596 1132960414 /nfs/dbraw/zinc/96/04/14/1132960414.db2.gz XBBBAQPYYFIWBV-CQSZACIVSA-N 0 1 276.424 3.984 20 0 CHADMN Cc1cccc([C@H](C)N2C[C@@H](C)O[C@](C)(C(F)F)C2)c1 ZINC001174723759 1132966172 /nfs/dbraw/zinc/96/61/72/1132966172.db2.gz FGILXBIHINKYGJ-WWGRRREGSA-N 0 1 283.362 3.801 20 0 CHADMN C[C@@H]1CN(CC[C@@H]2CCCC2(F)F)C[C@@](C)(C(F)F)O1 ZINC001174726024 1132966592 /nfs/dbraw/zinc/96/65/92/1132966592.db2.gz RYDPULFEBDRPNK-MDZLAQPJSA-N 0 1 297.336 3.556 20 0 CHADMN FC1(F)CC2(CC(Nc3ccc4c(n3)CCC4)C2)C1 ZINC001160588198 1132975688 /nfs/dbraw/zinc/97/56/88/1132975688.db2.gz QOIHIRUHFMYYMZ-UHFFFAOYSA-N 0 1 264.319 3.560 20 0 CHADMN COC1CCC(CCNc2ccc(C)c(C)n2)CC1 ZINC001160641763 1132976673 /nfs/dbraw/zinc/97/66/73/1132976673.db2.gz BCYVEXSKCHSNPY-UHFFFAOYSA-N 0 1 262.397 3.706 20 0 CHADMN COc1cc(C)c(CNc2ncc(C)cc2C)cc1C ZINC001160777108 1132981923 /nfs/dbraw/zinc/98/19/23/1132981923.db2.gz HQJMDAZQVWWJIX-UHFFFAOYSA-N 0 1 270.376 3.936 20 0 CHADMN CCN1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@H](C(C)C)CC1 ZINC001161190857 1132995815 /nfs/dbraw/zinc/99/58/15/1132995815.db2.gz CBOCFUTUGGUGEO-YESZJQIVSA-N 0 1 294.483 3.582 20 0 CHADMN CCC[C@H](NC(=O)c1ccc(Cl)c(O)c1)C1CCC1 ZINC001161466307 1133003661 /nfs/dbraw/zinc/00/36/61/1133003661.db2.gz VAHRGCHGMWRASY-ZDUSSCGKSA-N 0 1 281.783 3.744 20 0 CHADMN FC(F)CNc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC001161817281 1133031461 /nfs/dbraw/zinc/03/14/61/1133031461.db2.gz IWQMZHZEBGIFFH-UHFFFAOYSA-N 0 1 273.286 3.907 20 0 CHADMN CCOc1ccnc(N[C@H](c2ccnc(F)c2)C2CC2)c1 ZINC001161841610 1133035412 /nfs/dbraw/zinc/03/54/12/1133035412.db2.gz XFDKSSSELREIGR-INIZCTEOSA-N 0 1 287.338 3.578 20 0 CHADMN FC(F)Oc1cccc(CNc2ccc3nc[nH]c3c2)c1 ZINC001161991246 1133047373 /nfs/dbraw/zinc/04/73/73/1133047373.db2.gz UDNMOYZGHFCPGB-UHFFFAOYSA-N 0 1 289.285 3.776 20 0 CHADMN Cc1ncc(CNc2nccc3cc(C)ccc32)s1 ZINC001162155398 1133054692 /nfs/dbraw/zinc/05/46/92/1133054692.db2.gz SASUMBRKOTUKBS-UHFFFAOYSA-N 0 1 269.373 3.920 20 0 CHADMN FC(F)(F)c1ccncc1CNc1ccc2nc[nH]c2c1 ZINC001162293574 1133067002 /nfs/dbraw/zinc/06/70/02/1133067002.db2.gz OYOIASDSMOBHAC-UHFFFAOYSA-N 0 1 292.264 3.589 20 0 CHADMN Cc1cc2ccccc2c(N[C@H]2C[C@]23CCCOC3)n1 ZINC001162378275 1133074529 /nfs/dbraw/zinc/07/45/29/1133074529.db2.gz UEGJIPGOSAVNOT-RDJZCZTQSA-N 0 1 268.360 3.524 20 0 CHADMN C[C@H]1CCCC[C@@H]1CNc1ccnc2c1ccn2C ZINC001162531040 1133089421 /nfs/dbraw/zinc/08/94/21/1133089421.db2.gz QXXUKPWHXMZPBN-QWHCGFSZSA-N 0 1 257.381 3.812 20 0 CHADMN C[C@@H]1CCCC[C@@H]1CNc1ccnc2c1ccn2C ZINC001162531038 1133089449 /nfs/dbraw/zinc/08/94/49/1133089449.db2.gz QXXUKPWHXMZPBN-CHWSQXEVSA-N 0 1 257.381 3.812 20 0 CHADMN CC(C)CCCCNc1ccncc1C(F)(F)F ZINC001162584820 1133093385 /nfs/dbraw/zinc/09/33/85/1133093385.db2.gz OOIWXPFVNYZLSX-UHFFFAOYSA-N 0 1 260.303 3.761 20 0 CHADMN Cc1ccc(C)c(NCCc2ccc(C(F)(F)F)nc2)n1 ZINC001162610724 1133094728 /nfs/dbraw/zinc/09/47/28/1133094728.db2.gz XINHDYZZAGTGEL-UHFFFAOYSA-N 0 1 295.308 3.767 20 0 CHADMN FC1(F)CC[C@H](CNc2cc(OCC3CC3)ccn2)C1 ZINC001162648667 1133099877 /nfs/dbraw/zinc/09/98/77/1133099877.db2.gz SVTICYXCMUZYRJ-LBPRGKRZSA-N 0 1 282.334 3.718 20 0 CHADMN COc1cc(OC)c2ccnc(NC(=N)C(C)(C)C)c2c1 ZINC001162656665 1133101150 /nfs/dbraw/zinc/10/11/50/1133101150.db2.gz AMRZUTGNTUJERA-UHFFFAOYSA-N 0 1 287.363 3.687 20 0 CHADMN Cc1nc(NC(=N)C(C)(C)C)ccc1Br ZINC001162660828 1133102179 /nfs/dbraw/zinc/10/21/79/1133102179.db2.gz NPYUESARCNBWCE-UHFFFAOYSA-N 0 1 270.174 3.588 20 0 CHADMN Cc1cccc(C)c1CCNc1ccncc1C(F)(F)F ZINC001162762608 1133109708 /nfs/dbraw/zinc/10/97/08/1133109708.db2.gz KYGXPILFPDOPSD-UHFFFAOYSA-N 0 1 294.320 3.794 20 0 CHADMN Cc1ccc2c(c1)[C@@H](Nc1ccc3c(n1)CCC3)CC2 ZINC001162824148 1133114545 /nfs/dbraw/zinc/11/45/45/1133114545.db2.gz PLDATJCHYVNRSX-KRWDZBQOSA-N 0 1 264.372 3.978 20 0 CHADMN Cc1ccc(C)c(NCc2cn(C)c3ccccc23)n1 ZINC001162827548 1133115525 /nfs/dbraw/zinc/11/55/25/1133115525.db2.gz MODDOKODIMFFEG-UHFFFAOYSA-N 0 1 265.360 3.802 20 0 CHADMN C[C@H](NCC1CCCC1)c1nc(Cc2ccccc2)no1 ZINC000173898695 1133120360 /nfs/dbraw/zinc/12/03/60/1133120360.db2.gz IRFDOYQZQPRPDJ-ZDUSSCGKSA-N 0 1 285.391 3.501 20 0 CHADMN O=C(NC[C@H]1CC2CCC1CC2)c1ccc(Cl)c(O)c1 ZINC001162943783 1133123893 /nfs/dbraw/zinc/12/38/93/1133123893.db2.gz VQBHWOQDGASQJG-GCZXYKMCSA-N 0 1 293.794 3.602 20 0 CHADMN Cc1ccc([C@@H](CO)Nc2nc(C)cc3ccccc32)cc1 ZINC001162947243 1133124086 /nfs/dbraw/zinc/12/40/86/1133124086.db2.gz YABTUXAZEVRRLH-GOSISDBHSA-N 0 1 292.382 3.997 20 0 CHADMN Cc1cc(N2CCCC2)nc(N[C@@H]2CCCC23CCC3)n1 ZINC001163514026 1133154835 /nfs/dbraw/zinc/15/48/35/1133154835.db2.gz KHPISEFFYRWWRK-CQSZACIVSA-N 0 1 286.423 3.520 20 0 CHADMN Clc1cc(N[C@@H]2CCCC23CCC3)c2nc[nH]c2n1 ZINC001163519136 1133155771 /nfs/dbraw/zinc/15/57/71/1133155771.db2.gz XFWVNUYKLGFOQE-SNVBAGLBSA-N 0 1 276.771 3.746 20 0 CHADMN COc1ccccc1[C@H]1CCN(c2cc(C)c(C)cn2)C1 ZINC001163809051 1133176298 /nfs/dbraw/zinc/17/62/98/1133176298.db2.gz MPUMUOGWYITIPN-HNNXBMFYSA-N 0 1 282.387 3.701 20 0 CHADMN CC(C)c1ccc(CNc2cccc(CN(C)C)n2)cc1 ZINC001163820801 1133177444 /nfs/dbraw/zinc/17/74/44/1133177444.db2.gz NBCYJFYRGCCBQT-UHFFFAOYSA-N 0 1 283.419 3.879 20 0 CHADMN Cc1nc2ccc(NC(C)(C)Cc3ccc(F)cc3)nc2[nH]1 ZINC001163852854 1133179316 /nfs/dbraw/zinc/17/93/16/1133179316.db2.gz IVLWUBSCGNPYAM-UHFFFAOYSA-N 0 1 298.365 3.839 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC001163884074 1133182804 /nfs/dbraw/zinc/18/28/04/1133182804.db2.gz BIIOZDSJMHZNHW-YESZJQIVSA-N 0 1 296.499 3.924 20 0 CHADMN COc1ccc(CCCNc2cnc(N(C)C)cc2C)cc1 ZINC001164192563 1133205514 /nfs/dbraw/zinc/20/55/14/1133205514.db2.gz VHSXVSGMOWDIED-UHFFFAOYSA-N 0 1 299.418 3.509 20 0 CHADMN Cc1nc(N=C2CCCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001213052557 1133227292 /nfs/dbraw/zinc/22/72/92/1133227292.db2.gz FGWPNJZUGGYYCA-UHFFFAOYSA-N 0 1 295.408 3.736 20 0 CHADMN CCc1ccc(CN2CCN(Cc3ccccc3)[C@@H](C)C2)o1 ZINC001204395621 1133231912 /nfs/dbraw/zinc/23/19/12/1133231912.db2.gz VQGDENNSAZFUMQ-INIZCTEOSA-N 0 1 298.430 3.548 20 0 CHADMN Cc1cc2ccccc2c(N2CC[C@@H]3CCCO[C@@H]3C2)n1 ZINC001165330986 1133240135 /nfs/dbraw/zinc/24/01/35/1133240135.db2.gz CHRAXVONHCAINZ-WMLDXEAASA-N 0 1 282.387 3.549 20 0 CHADMN CC(C)(C)c1ccc(CN2CCc3cccnc3C2)cc1 ZINC001204398639 1133256417 /nfs/dbraw/zinc/25/64/17/1133256417.db2.gz KHIJUPGMXCOQOE-UHFFFAOYSA-N 0 1 280.415 3.937 20 0 CHADMN CSc1c(F)cccc1NC(=O)c1c(O)cccc1F ZINC001166347709 1133263698 /nfs/dbraw/zinc/26/36/98/1133263698.db2.gz AJBWZPPGMKOUOP-UHFFFAOYSA-N 0 1 295.310 3.645 20 0 CHADMN Cc1ccc(N2CCC(Sc3ccncc3)CC2)nc1C ZINC001166988150 1133296709 /nfs/dbraw/zinc/29/67/09/1133296709.db2.gz VALQLRTWJXMCEO-UHFFFAOYSA-N 0 1 299.443 3.855 20 0 CHADMN CCCc1ccc(CN2C[C@H](C)OC[C@@H]2CC)cc1 ZINC001167017126 1133300223 /nfs/dbraw/zinc/30/02/23/1133300223.db2.gz WKFFLPVCAYWZDH-YOEHRIQHSA-N 0 1 261.409 3.638 20 0 CHADMN CC(C)(C)OC(=O)C[C@H]1CCCN1Cc1ccccc1F ZINC001203357604 1133317300 /nfs/dbraw/zinc/31/73/00/1133317300.db2.gz RKTHYGOHDOFKMJ-CQSZACIVSA-N 0 1 293.382 3.522 20 0 CHADMN Clc1ccc(CN2CCC3(COC3)CC2)c(Cl)c1 ZINC001203388223 1133321681 /nfs/dbraw/zinc/32/16/81/1133321681.db2.gz OMAMKFZKBFIEKP-UHFFFAOYSA-N 0 1 286.202 3.606 20 0 CHADMN Cc1ccc2[nH]c(NCc3ccccc3N(C)C)nc2c1 ZINC001203470740 1133330697 /nfs/dbraw/zinc/33/06/97/1133330697.db2.gz IHABJLYWFFXPNN-UHFFFAOYSA-N 0 1 280.375 3.549 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(OC)nc1C ZINC001203519331 1133334688 /nfs/dbraw/zinc/33/46/88/1133334688.db2.gz FCWFGPYFFPLRKA-UHFFFAOYSA-N 0 1 295.342 3.699 20 0 CHADMN Cc1ccnc(CNCc2ccccc2N2CCCCC2)c1 ZINC001203522204 1133335388 /nfs/dbraw/zinc/33/53/88/1133335388.db2.gz QRRQAUDPSWJQQN-UHFFFAOYSA-N 0 1 295.430 3.670 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cnccc1C(C)=O ZINC001203521593 1133335401 /nfs/dbraw/zinc/33/54/01/1133335401.db2.gz CZEIPXXXCYTJJS-UHFFFAOYSA-N 0 1 293.326 3.585 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(OC)ncc1C ZINC001203524920 1133335637 /nfs/dbraw/zinc/33/56/37/1133335637.db2.gz HSZNPPVNDVJFGG-UHFFFAOYSA-N 0 1 295.342 3.699 20 0 CHADMN Cc1cc(CNc2ccc3c(n2)CCCC3)cnc1Cl ZINC001203566452 1133340050 /nfs/dbraw/zinc/34/00/50/1133340050.db2.gz SNVLURASUVOTKE-UHFFFAOYSA-N 0 1 287.794 3.929 20 0 CHADMN F[C@@H]1C[C@@H]2C[C@H]1CN2Cc1ccccc1C(F)(F)F ZINC001203690141 1133353327 /nfs/dbraw/zinc/35/33/27/1133353327.db2.gz IVCNZDQJAMDIKN-GMXVVIOVSA-N 0 1 273.273 3.638 20 0 CHADMN FC(F)(F)c1ccccc1CN1CC[C@@]2(C1)CCCCO2 ZINC001203687676 1133354146 /nfs/dbraw/zinc/35/41/46/1133354146.db2.gz TUFCXMSOAPAHLS-OAHLLOKOSA-N 0 1 299.336 3.850 20 0 CHADMN FC[C@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 ZINC001203693330 1133354800 /nfs/dbraw/zinc/35/48/00/1133354800.db2.gz WDZWZAVFWPREEJ-LLVKDONJSA-N 0 1 275.289 3.887 20 0 CHADMN COc1ccnc(Nc2ccc(N3CCCCC3)cc2)c1 ZINC001203712114 1133357794 /nfs/dbraw/zinc/35/77/94/1133357794.db2.gz DNLDFERCFJUJKF-UHFFFAOYSA-N 0 1 283.375 3.824 20 0 CHADMN Cc1ccc(CN2CCC(=O)[C@H]3CCCC[C@@H]32)c(C)c1 ZINC001203729543 1133359975 /nfs/dbraw/zinc/35/99/75/1133359975.db2.gz PBVXJGVZULFBKW-IRXDYDNUSA-N 0 1 271.404 3.637 20 0 CHADMN O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001203787761 1133368389 /nfs/dbraw/zinc/36/83/89/1133368389.db2.gz CVHVICLHAFXNQQ-MRXNPFEDSA-N 0 1 283.346 3.531 20 0 CHADMN O=C(c1ccccc1)[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001203787761 1133368391 /nfs/dbraw/zinc/36/83/91/1133368391.db2.gz CVHVICLHAFXNQQ-MRXNPFEDSA-N 0 1 283.346 3.531 20 0 CHADMN COc1ccc(C[N@H+]2CCC(F)(F)C(C)(C)C2)cc1F ZINC001203788016 1133368438 /nfs/dbraw/zinc/36/84/38/1133368438.db2.gz AZHKVENRUMLUKY-UHFFFAOYSA-N 0 1 287.325 3.702 20 0 CHADMN COc1ccc(CN2CCC(F)(F)C(C)(C)C2)cc1F ZINC001203788016 1133368442 /nfs/dbraw/zinc/36/84/42/1133368442.db2.gz AZHKVENRUMLUKY-UHFFFAOYSA-N 0 1 287.325 3.702 20 0 CHADMN C[C@@]1(O)CCCCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC001203808042 1133370561 /nfs/dbraw/zinc/37/05/61/1133370561.db2.gz BQWUHBFWSFHYAN-CQSZACIVSA-N 0 1 288.218 3.730 20 0 CHADMN C[C@@]1(O)CCCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001203803885 1133371671 /nfs/dbraw/zinc/37/16/71/1133371671.db2.gz IKLDSOOFXVGWQJ-CQSZACIVSA-N 0 1 288.218 3.730 20 0 CHADMN C[C@@]1(O)CCCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC001203803885 1133371675 /nfs/dbraw/zinc/37/16/75/1133371675.db2.gz IKLDSOOFXVGWQJ-CQSZACIVSA-N 0 1 288.218 3.730 20 0 CHADMN Cc1ccccc1OC1CCN(Cc2cccc(O)c2)CC1 ZINC001203859158 1133376467 /nfs/dbraw/zinc/37/64/67/1133376467.db2.gz GLZHKCWVRAFGCN-UHFFFAOYSA-N 0 1 297.398 3.744 20 0 CHADMN CC(C)c1nc(CNCC[C@H]2CCC(C)(C)CO2)cs1 ZINC001203865276 1133377433 /nfs/dbraw/zinc/37/74/33/1133377433.db2.gz VHFVYNLYHSIOAL-CQSZACIVSA-N 0 1 296.480 3.951 20 0 CHADMN FC(F)(F)c1cccc(CN2CC3CC(C3)C2)c1 ZINC001203886407 1133380491 /nfs/dbraw/zinc/38/04/91/1133380491.db2.gz AWNRJEBISCNNMO-UHFFFAOYSA-N 0 1 255.283 3.547 20 0 CHADMN Cc1cccc(CN2CCc3c(F)cccc3C2)c1 ZINC001203892453 1133382153 /nfs/dbraw/zinc/38/21/53/1133382153.db2.gz MLVPKRCZMJRIML-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN FC(F)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001203921555 1133385361 /nfs/dbraw/zinc/38/53/61/1133385361.db2.gz PVMLXGJIFSDLBN-LLVKDONJSA-N 0 1 259.727 3.817 20 0 CHADMN Cc1ccc(Cl)cc1CNCc1ccc(Cl)nc1 ZINC001203934917 1133385938 /nfs/dbraw/zinc/38/59/38/1133385938.db2.gz IBBDHFMJTKSMPY-UHFFFAOYSA-N 0 1 281.186 3.987 20 0 CHADMN c1ccc2cc(CN3CCC[C@H]3c3cnccn3)ccc2c1 ZINC001204000651 1133397828 /nfs/dbraw/zinc/39/78/28/1133397828.db2.gz LLZREADJQVWDOD-IBGZPJMESA-N 0 1 289.382 3.967 20 0 CHADMN Cc1ccc(N2CCN(Cc3cccs3)CC2)c(C)c1 ZINC001204015755 1133399096 /nfs/dbraw/zinc/39/90/96/1133399096.db2.gz MPOLIOPZTOKBGA-UHFFFAOYSA-N 0 1 286.444 3.687 20 0 CHADMN Fc1ccc2c(c1)CN(Cc1c[nH]c3ccccc13)CC2 ZINC001204048772 1133403835 /nfs/dbraw/zinc/40/38/35/1133403835.db2.gz QXHFYCLMOBRRHO-UHFFFAOYSA-N 0 1 280.346 3.865 20 0 CHADMN c1[nH]c2ccccc2c1C[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001204044592 1133404112 /nfs/dbraw/zinc/40/41/12/1133404112.db2.gz CDUSVJJIVIFDOT-IBGZPJMESA-N 0 1 298.430 3.949 20 0 CHADMN Cc1nc2c(s1)CN(Cc1ccnc3ccccc13)CC2 ZINC001204088630 1133406328 /nfs/dbraw/zinc/40/63/28/1133406328.db2.gz TYDIWHWGGZXIHN-UHFFFAOYSA-N 0 1 295.411 3.558 20 0 CHADMN CCOc1cc(CN2Cc3ccccc3C[C@H]2C)ccc1O ZINC001204133258 1133409390 /nfs/dbraw/zinc/40/93/90/1133409390.db2.gz OJEWZECNAWTPQH-CQSZACIVSA-N 0 1 297.398 3.738 20 0 CHADMN C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC001204157973 1133412169 /nfs/dbraw/zinc/41/21/69/1133412169.db2.gz IBNPBVCGGKEOSM-SKDRFNHKSA-N 0 1 261.262 3.638 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1ccc(C(F)(F)F)cc1 ZINC001204157973 1133412172 /nfs/dbraw/zinc/41/21/72/1133412172.db2.gz IBNPBVCGGKEOSM-SKDRFNHKSA-N 0 1 261.262 3.638 20 0 CHADMN Cc1ccc(CN2CCc3ccc(F)cc3C2)cc1 ZINC001204174297 1133414569 /nfs/dbraw/zinc/41/45/69/1133414569.db2.gz MTQPJKLVNCXUTL-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN Cc1cccc(CCN(C)Cc2cccc(F)c2F)c1 ZINC001204197770 1133417552 /nfs/dbraw/zinc/41/75/52/1133417552.db2.gz FIYJNRHFESZNRH-UHFFFAOYSA-N 0 1 275.342 3.948 20 0 CHADMN CC(C)C1CCN(Cc2c(F)cccc2F)CC1 ZINC001204205057 1133420011 /nfs/dbraw/zinc/42/00/11/1133420011.db2.gz FCMGBZULQZRTOR-UHFFFAOYSA-N 0 1 253.336 3.833 20 0 CHADMN Fc1cc(F)cc(CN2CCC3(CC(F)(F)C3)CC2)c1 ZINC001204228392 1133420724 /nfs/dbraw/zinc/42/07/24/1133420724.db2.gz OULBORJMKJMLBF-UHFFFAOYSA-N 0 1 287.300 3.976 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2cn(C)c3ccccc23)cn1 ZINC001204319216 1133436373 /nfs/dbraw/zinc/43/63/73/1133436373.db2.gz KPGBQFXHIHAMCL-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN Cc1ccc(CN(C)Cc2cn(C)c3ccccc23)cn1 ZINC001204319216 1133436375 /nfs/dbraw/zinc/43/63/75/1133436375.db2.gz KPGBQFXHIHAMCL-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN CCc1ccc(CN2CCN([C@H](C)c3ccccc3)CC2)o1 ZINC001204393385 1133441620 /nfs/dbraw/zinc/44/16/20/1133441620.db2.gz VCMADGDJMQIDGX-MRXNPFEDSA-N 0 1 298.430 3.721 20 0 CHADMN CCc1ccc(CN2CCCc3ccc(OC)cc3C2)o1 ZINC001204394758 1133442916 /nfs/dbraw/zinc/44/29/16/1133442916.db2.gz RSJAFYVFGCPWKS-UHFFFAOYSA-N 0 1 285.387 3.799 20 0 CHADMN Fc1ccc(CN2C[C@H]3[C@H](CCC3(F)F)C2)c(Cl)c1 ZINC001204434298 1133447681 /nfs/dbraw/zinc/44/76/81/1133447681.db2.gz HXBQDIWIPMXDPX-SKDRFNHKSA-N 0 1 289.728 3.956 20 0 CHADMN COc1ccc2c(c1)CCCN(Cc1cc(C)co1)C2 ZINC001204448922 1133448612 /nfs/dbraw/zinc/44/86/12/1133448612.db2.gz GJVHTCXKLLSRQY-UHFFFAOYSA-N 0 1 271.360 3.545 20 0 CHADMN Cc1nc2c(s1)CN(Cc1cc(C)cc(C)c1)CC2 ZINC001204525953 1133457587 /nfs/dbraw/zinc/45/75/87/1133457587.db2.gz JHPNXEVAQPQNEY-UHFFFAOYSA-N 0 1 272.417 3.627 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(F)c(F)c(F)c2)C1 ZINC001204529750 1133459704 /nfs/dbraw/zinc/45/97/04/1133459704.db2.gz NEBHJINFWHEAJH-JTQLQIEISA-N 0 1 257.299 3.726 20 0 CHADMN CCN(Cc1cc(C)c(C)o1)Cc1cccc(OC)c1 ZINC001204533830 1133459986 /nfs/dbraw/zinc/45/99/86/1133459986.db2.gz QYPXOZSRFRQWFW-UHFFFAOYSA-N 0 1 273.376 3.927 20 0 CHADMN c1csc(CN2CCC[C@H](CCc3ccccc3)C2)n1 ZINC001204548711 1133461721 /nfs/dbraw/zinc/46/17/21/1133461721.db2.gz ATRKOZISECRGBJ-MRXNPFEDSA-N 0 1 286.444 3.988 20 0 CHADMN CC(C)OC(=O)[C@@H](C)N(C)C[C@@H](C)CC1CCCCC1 ZINC001204592326 1133465712 /nfs/dbraw/zinc/46/57/12/1133465712.db2.gz LSBWDYPXBXXISU-LSDHHAIUSA-N 0 1 283.456 3.865 20 0 CHADMN C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001204645313 1133471132 /nfs/dbraw/zinc/47/11/32/1133471132.db2.gz RDIQXRXYLVIXEZ-FUHWJXTLSA-N 0 1 296.414 3.824 20 0 CHADMN C[C@H]1N(Cc2ccc3c(c2)CCCC3)CCOC1(C)C ZINC001204777219 1133483811 /nfs/dbraw/zinc/48/38/11/1133483811.db2.gz VDRFYRUGXZPIPB-CQSZACIVSA-N 0 1 273.420 3.565 20 0 CHADMN CN[C@H](c1nc(-c2cc(Cl)ccc2F)no1)C(C)(C)C ZINC001204888333 1133495765 /nfs/dbraw/zinc/49/57/65/1133495765.db2.gz HMVJDXKYLLWZOE-LLVKDONJSA-N 0 1 297.761 3.836 20 0 CHADMN CCC1CCC(N(Cc2nc(CO)cs2)C2CC2)CC1 ZINC001204891237 1133496450 /nfs/dbraw/zinc/49/64/50/1133496450.db2.gz QIDAYPWTGVUISJ-UHFFFAOYSA-N 0 1 294.464 3.569 20 0 CHADMN CC[C@@H]1CN(Cc2cc3c(cccc3O)s2)C[C@H](C)O1 ZINC001204900223 1133497576 /nfs/dbraw/zinc/49/75/76/1133497576.db2.gz YQZSVTHUKXXXPJ-NWDGAFQWSA-N 0 1 291.416 3.606 20 0 CHADMN COc1ccc(CN(C)Cc2ccccc2C)c(F)c1 ZINC001204923906 1133500361 /nfs/dbraw/zinc/50/03/61/1133500361.db2.gz YFPXSOUQSQLUHK-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN CC[C@H](C)[C@@H](CN(C)Cc1cc(F)c(F)c(F)c1)OC ZINC001204977326 1133511735 /nfs/dbraw/zinc/51/17/35/1133511735.db2.gz WABCOIVQVVCUDI-IINYFYTJSA-N 0 1 289.341 3.597 20 0 CHADMN CC[C@@H](C)[C@H](CN(C)Cc1cc(F)c(F)c(F)c1)OC ZINC001204977330 1133511973 /nfs/dbraw/zinc/51/19/73/1133511973.db2.gz WABCOIVQVVCUDI-YGRLFVJLSA-N 0 1 289.341 3.597 20 0 CHADMN C[C@H]1CCCN(Cc2cc3c(ccnc3Cl)o2)C1 ZINC001205045741 1133520299 /nfs/dbraw/zinc/52/02/99/1133520299.db2.gz CIVQROGUBMTENF-JTQLQIEISA-N 0 1 264.756 3.713 20 0 CHADMN Cc1cccc(CN2CCc3cc4c(cc3C2)OCO4)c1C ZINC001205067709 1133522716 /nfs/dbraw/zinc/52/27/16/1133522716.db2.gz YCZZAQVIIXNVKI-UHFFFAOYSA-N 0 1 295.382 3.590 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1ccc(N)c(F)c1 ZINC001205164704 1133539174 /nfs/dbraw/zinc/53/91/74/1133539174.db2.gz PDNYSGPRNLDFCJ-GFCCVEGCSA-N 0 1 270.351 3.527 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(F)cc2)cc1F ZINC001205205789 1133546092 /nfs/dbraw/zinc/54/60/92/1133546092.db2.gz IBJHGTDEURMIIN-UHFFFAOYSA-N 0 1 261.315 3.905 20 0 CHADMN Cc1ccc(CN2CCc3ccccc3C2)cc1F ZINC001205206351 1133546777 /nfs/dbraw/zinc/54/67/77/1133546777.db2.gz WFAXSZYJOMWLFX-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN Cc1ccc(CN2CC[C@H]2COCc2ccccc2)cc1F ZINC001205236655 1133548620 /nfs/dbraw/zinc/54/86/20/1133548620.db2.gz SPXLZPWQWCYBKO-SFHVURJKSA-N 0 1 299.389 3.925 20 0 CHADMN Cc1cnc([C@H](C)CNCc2c(Cl)ccnc2F)s1 ZINC001205299312 1133556674 /nfs/dbraw/zinc/55/66/74/1133556674.db2.gz NSHWOFMFVAGBQE-MRVPVSSYSA-N 0 1 299.802 3.532 20 0 CHADMN CCSCCO[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001205348246 1133566332 /nfs/dbraw/zinc/56/63/32/1133566332.db2.gz APUWCELSMSJEME-CQSZACIVSA-N 0 1 299.867 3.684 20 0 CHADMN Cc1ccc(SC[C@@H](C)NCc2ncccc2F)cc1 ZINC001205438952 1133576461 /nfs/dbraw/zinc/57/64/61/1133576461.db2.gz WBKRXWOQPWUIFF-CYBMUJFWSA-N 0 1 290.407 3.800 20 0 CHADMN COc1nsc(CN(CC2CCC2)C(C)C)c1Cl ZINC001205561257 1133588135 /nfs/dbraw/zinc/58/81/35/1133588135.db2.gz HSVMMRNJRMMPDM-UHFFFAOYSA-N 0 1 288.844 3.816 20 0 CHADMN COc1cccc(C[N@@H+](C)Cc2ccc3[nH]ccc3c2)c1 ZINC001205594585 1133592939 /nfs/dbraw/zinc/59/29/39/1133592939.db2.gz WCDXKWRADGEZOB-UHFFFAOYSA-N 0 1 280.371 3.809 20 0 CHADMN CC[C@@H]1CCCC[C@H]1N(C)Cc1c(Cl)c(C)nn1C ZINC001205702937 1133603691 /nfs/dbraw/zinc/60/36/91/1133603691.db2.gz RRHJFHIADXPPTH-CHWSQXEVSA-N 0 1 283.847 3.783 20 0 CHADMN c1nocc1CN1CCC(c2nc3ccccc3s2)CC1 ZINC001205696984 1133603961 /nfs/dbraw/zinc/60/39/61/1133603961.db2.gz LMMDEKRRXRNBTI-UHFFFAOYSA-N 0 1 299.399 3.664 20 0 CHADMN CCc1cc(-c2[nH]ccc3ncnc2-3)ccc1Cl ZINC001205794209 1133615027 /nfs/dbraw/zinc/61/50/27/1133615027.db2.gz ZDTYWCGXQJFQKD-UHFFFAOYSA-N 0 1 257.724 3.841 20 0 CHADMN CCc1cc(-c2nccc3[nH]cnc32)ccc1Cl ZINC001205794209 1133615029 /nfs/dbraw/zinc/61/50/29/1133615029.db2.gz ZDTYWCGXQJFQKD-UHFFFAOYSA-N 0 1 257.724 3.841 20 0 CHADMN Cc1cnc(-c2ccc(F)c(F)c2OC(C)C)cc1N ZINC001205843265 1133621473 /nfs/dbraw/zinc/62/14/73/1133621473.db2.gz DDVVSGKCSAKEKK-UHFFFAOYSA-N 0 1 278.302 3.705 20 0 CHADMN Fc1ccc(Cl)cc1CN1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001206006650 1133641210 /nfs/dbraw/zinc/64/12/10/1133641210.db2.gz BRJNIEFHJIORFC-PHIMTYICSA-N 0 1 289.728 3.956 20 0 CHADMN CSc1ccc(CN2CC(C)(C)[C@H]2C(C)C)o1 ZINC001206039806 1133646185 /nfs/dbraw/zinc/64/61/85/1133646185.db2.gz IOXBRJHAHMYWTH-CYBMUJFWSA-N 0 1 253.411 3.868 20 0 CHADMN Cc1nc(CN2CCC[C@@H](c3ccccc3)CC2)co1 ZINC001206073792 1133653923 /nfs/dbraw/zinc/65/39/23/1133653923.db2.gz DGIFOSBCKQOMSK-MRXNPFEDSA-N 0 1 270.376 3.753 20 0 CHADMN Cc1cccc2c1CN(Cc1ccc3c(c1)NCCC3)C2 ZINC001206081416 1133655018 /nfs/dbraw/zinc/65/50/18/1133655018.db2.gz LWOBZDBKPSFLIS-UHFFFAOYSA-N 0 1 278.399 3.869 20 0 CHADMN CC(C)Oc1cc(-c2cc3[nH]cnc3cn2)ccc1F ZINC001206163385 1133666309 /nfs/dbraw/zinc/66/63/09/1133666309.db2.gz RTVBUBGDGYEGMZ-UHFFFAOYSA-N 0 1 271.295 3.551 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@@]3(CCSC3)C2)c(F)c1 ZINC001206263636 1133678281 /nfs/dbraw/zinc/67/82/81/1133678281.db2.gz POHYWXLXXYOHIA-MRXNPFEDSA-N 0 1 297.414 3.992 20 0 CHADMN CCN(C)C(=O)c1cccc(-c2cccc3nc(C)[nH]c32)c1 ZINC001206504039 1133711682 /nfs/dbraw/zinc/71/16/82/1133711682.db2.gz AISZTLKQJVMXSH-UHFFFAOYSA-N 0 1 293.370 3.630 20 0 CHADMN C[C@@H]1CN(C[C@@H]2C[C@H]2c2ccccc2)CC2(CCCC2)O1 ZINC001206545521 1133716074 /nfs/dbraw/zinc/71/60/74/1133716074.db2.gz WVVBLKRAEQZRHY-NJAFHUGGSA-N 0 1 285.431 3.824 20 0 CHADMN CCC(F)(F)CN[C@@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001206691561 1133733725 /nfs/dbraw/zinc/73/37/25/1133733725.db2.gz JWUCUACQWRVGGB-GOEBONIOSA-N 0 1 296.405 3.674 20 0 CHADMN Cc1cccc2ncc(-c3cc(F)c(O)cc3F)nc12 ZINC001206755167 1133742006 /nfs/dbraw/zinc/74/20/06/1133742006.db2.gz GGFXYBROLCHEPJ-UHFFFAOYSA-N 0 1 272.254 3.589 20 0 CHADMN Oc1cc(F)c(-c2ncnc3c(F)c(F)ccc32)cc1F ZINC001206775751 1133747351 /nfs/dbraw/zinc/74/73/51/1133747351.db2.gz JGUJBZMDRZXRHN-UHFFFAOYSA-N 0 1 294.207 3.559 20 0 CHADMN CN(CCc1cccc(Cl)c1)Cc1ccncc1F ZINC001206786006 1133748255 /nfs/dbraw/zinc/74/82/55/1133748255.db2.gz PNTDLICXKYCXPY-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN COc1ccc(-c2cc(CN(C)CC(C)(C)C)no2)cc1 ZINC001206826941 1133752240 /nfs/dbraw/zinc/75/22/40/1133752240.db2.gz FNGJLVSEIWLXGJ-UHFFFAOYSA-N 0 1 288.391 3.828 20 0 CHADMN CCCN(CC)Cc1cc(-c2ccc(OC)cc2)on1 ZINC001206823902 1133752842 /nfs/dbraw/zinc/75/28/42/1133752842.db2.gz UHASECDMYFVPQP-UHFFFAOYSA-N 0 1 274.364 3.582 20 0 CHADMN Fc1ccc(-c2cc(CN3CCC34CCCC4)no2)cc1 ZINC001206830809 1133754703 /nfs/dbraw/zinc/75/47/03/1133754703.db2.gz GMYKRONDDOZLPH-UHFFFAOYSA-N 0 1 286.350 3.999 20 0 CHADMN Cc1ccnc(CN(C)C/C=C/c2ccccc2)c1 ZINC001206853175 1133755992 /nfs/dbraw/zinc/75/59/92/1133755992.db2.gz MOLKHPRQNJGDEX-RMKNXTFCSA-N 0 1 252.361 3.535 20 0 CHADMN Fc1cncc(F)c1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC001206861930 1133756899 /nfs/dbraw/zinc/75/68/99/1133756899.db2.gz CFNJUEGKJRVVDQ-NHYWBVRUSA-N 0 1 266.335 3.514 20 0 CHADMN Cc1ccnc(CN2CCCC[C@H]2c2cccnc2)c1 ZINC001206854597 1133756977 /nfs/dbraw/zinc/75/69/77/1133756977.db2.gz KHHYSOXLAXAWDB-KRWDZBQOSA-N 0 1 267.376 3.512 20 0 CHADMN CC(C)CN(Cc1ncc2ccccn21)Cc1ccccc1 ZINC001207049665 1133762982 /nfs/dbraw/zinc/76/29/82/1133762982.db2.gz ZQQJFZBUJYDSPT-UHFFFAOYSA-N 0 1 293.414 3.993 20 0 CHADMN CCc1nccc(CN2CCCC[C@H]2c2ccccc2)n1 ZINC001207082958 1133765215 /nfs/dbraw/zinc/76/52/15/1133765215.db2.gz RQTXDLZXDOSYOP-KRWDZBQOSA-N 0 1 281.403 3.766 20 0 CHADMN CSc1ccccc1[C@H]1CCCN1Cc1cnc(C)cn1 ZINC001207081383 1133765331 /nfs/dbraw/zinc/76/53/31/1133765331.db2.gz OLZNWNSRPUEIHK-MRXNPFEDSA-N 0 1 299.443 3.844 20 0 CHADMN CCc1nccc(CN2CCC(c3ccccc3F)CC2)n1 ZINC001207085848 1133765717 /nfs/dbraw/zinc/76/57/17/1133765717.db2.gz HGILYKDWCGYAPB-UHFFFAOYSA-N 0 1 299.393 3.558 20 0 CHADMN CCN(Cc1ncc(F)cc1F)C1CCCCC1 ZINC001207090151 1133766065 /nfs/dbraw/zinc/76/60/65/1133766065.db2.gz FEKGTVFRAMYNEA-UHFFFAOYSA-N 0 1 254.324 3.514 20 0 CHADMN Clc1ccc([C@@H]2C[C@@H]2CN2CCn3cccc3C2)cc1 ZINC001207188706 1133777276 /nfs/dbraw/zinc/77/72/76/1133777276.db2.gz VNAJFLHUFCNNBI-PBHICJAKSA-N 0 1 286.806 3.761 20 0 CHADMN Cc1cccc2c1CN(CCOCc1ccccc1)C2 ZINC001207227671 1133781500 /nfs/dbraw/zinc/78/15/00/1133781500.db2.gz BAHBHFOUSGIYTR-UHFFFAOYSA-N 0 1 267.372 3.527 20 0 CHADMN FC(F)(F)[C@@H]1CCN(CCc2cccc(Cl)c2)C1 ZINC001207422888 1133799737 /nfs/dbraw/zinc/79/97/37/1133799737.db2.gz LCGAIZMKAFSCCP-LLVKDONJSA-N 0 1 277.717 3.767 20 0 CHADMN COc1cccc(CCN(C)Cc2nc3ccccc3o2)c1 ZINC001207433815 1133802061 /nfs/dbraw/zinc/80/20/61/1133802061.db2.gz YLNMNBLXEKKCEF-UHFFFAOYSA-N 0 1 296.370 3.511 20 0 CHADMN O=C1CCN(CCCc2ccccc2F)[C@@H]2CCCC[C@@H]12 ZINC001207490616 1133807429 /nfs/dbraw/zinc/80/74/29/1133807429.db2.gz VCHOUJZYIFVDMD-NVXWUHKLSA-N 0 1 289.394 3.592 20 0 CHADMN CC(C)c1ccc(CCN2CCOCC23CCC3)cc1 ZINC001207522231 1133814135 /nfs/dbraw/zinc/81/41/35/1133814135.db2.gz BTIJYVJEGGRVRD-UHFFFAOYSA-N 0 1 273.420 3.607 20 0 CHADMN CC(C)c1ccc(CCN2CCC(=O)C(C)(C)C2)cc1 ZINC001207524635 1133815398 /nfs/dbraw/zinc/81/53/98/1133815398.db2.gz ZYVPLNGJKLXXJK-UHFFFAOYSA-N 0 1 273.420 3.654 20 0 CHADMN Cc1cccc(CC[N@H+]2Cc3ccc(F)cc3C2)c1 ZINC001207538290 1133817518 /nfs/dbraw/zinc/81/75/18/1133817518.db2.gz NVGZNZJKBLGGLK-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN Cc1cccc(CCN2Cc3ccc(F)cc3C2)c1 ZINC001207538290 1133817521 /nfs/dbraw/zinc/81/75/21/1133817521.db2.gz NVGZNZJKBLGGLK-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN Cc1cccc(CC[N@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC001207539192 1133818765 /nfs/dbraw/zinc/81/87/65/1133818765.db2.gz ZQAIACUHIORLJS-IBGZPJMESA-N 0 1 281.399 3.611 20 0 CHADMN Cc1cccc(CCN2CCO[C@H](c3ccccc3)C2)c1 ZINC001207539192 1133818772 /nfs/dbraw/zinc/81/87/72/1133818772.db2.gz ZQAIACUHIORLJS-IBGZPJMESA-N 0 1 281.399 3.611 20 0 CHADMN C[C@H](CCCC(C)(C)O)CCN1CCC(F)(F)[C@@H](F)C1 ZINC001207637053 1133835430 /nfs/dbraw/zinc/83/54/30/1133835430.db2.gz NVLOGPHNURBQOU-OLZOCXBDSA-N 0 1 295.389 3.633 20 0 CHADMN [O-]c1cc(F)c(CC[NH2+][C@H]2CCC[C@H](C3CC3)C2)c(F)c1 ZINC001207658685 1133836129 /nfs/dbraw/zinc/83/61/29/1133836129.db2.gz SNGUGCWSWWCTAE-STQMWFEESA-N 0 1 295.373 3.771 20 0 CHADMN [O-]c1cc(F)c(CC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c(F)c1 ZINC001207658684 1133836195 /nfs/dbraw/zinc/83/61/95/1133836195.db2.gz SNGUGCWSWWCTAE-QWHCGFSZSA-N 0 1 295.373 3.771 20 0 CHADMN CSc1ccc(CN(C)CCCC(=O)OC(C)(C)C)o1 ZINC001207732891 1133841842 /nfs/dbraw/zinc/84/18/42/1133841842.db2.gz QPUBPLWORXEFEW-UHFFFAOYSA-N 0 1 299.436 3.555 20 0 CHADMN CCn1ccc(CN2CCC(c3cc(C)ccc3C)CC2)n1 ZINC001207738580 1133844022 /nfs/dbraw/zinc/84/40/22/1133844022.db2.gz DKPZXULQJHGMIE-UHFFFAOYSA-N 0 1 297.446 3.899 20 0 CHADMN CC1(C)CCCC[C@H]1NCC(F)(F)C1(O)CCCCC1 ZINC001207768588 1133847010 /nfs/dbraw/zinc/84/70/10/1133847010.db2.gz JXKQSAHAJFYZLV-CYBMUJFWSA-N 0 1 289.410 3.875 20 0 CHADMN FC(F)(F)c1cccc(CCCN2C[C@H]3CC[C@@H]2CO3)c1 ZINC001207849249 1133855149 /nfs/dbraw/zinc/85/51/49/1133855149.db2.gz VEBQYUCDUSYJCH-HUUCEWRRSA-N 0 1 299.336 3.501 20 0 CHADMN c1ccc(CN(Cc2ccncc2)C[C@@H]2CCCCO2)cc1 ZINC001207955147 1133870153 /nfs/dbraw/zinc/87/01/53/1133870153.db2.gz ZBVAZPYEZHORJA-IBGZPJMESA-N 0 1 296.414 3.653 20 0 CHADMN c1ccc(CN(Cc2cccnc2)C[C@@H]2CCCCO2)cc1 ZINC001207959650 1133870734 /nfs/dbraw/zinc/87/07/34/1133870734.db2.gz XQPLUNLSQNYTHW-IBGZPJMESA-N 0 1 296.414 3.653 20 0 CHADMN CC/C=C\CCCN1Cc2cc(OC)c(OC)cc2C1 ZINC001208140725 1133884506 /nfs/dbraw/zinc/88/45/06/1133884506.db2.gz UYCYBXRLWKAWGX-WAYWQWQTSA-N 0 1 275.392 3.766 20 0 CHADMN CC1=C[C@H](C)[C@H](CN2CCC(F)(F)[C@@H](F)C2)CC1 ZINC001208158767 1133891221 /nfs/dbraw/zinc/89/12/21/1133891221.db2.gz BVWPWEWVGDKKPB-AVGNSLFASA-N 0 1 261.331 3.658 20 0 CHADMN Cc1ccc([C@H](C)CCN2CCn3cccc3[C@H]2C)o1 ZINC001208165817 1133893726 /nfs/dbraw/zinc/89/37/26/1133893726.db2.gz HBLCTSNIMWYVOY-UKRRQHHQSA-N 0 1 272.392 3.960 20 0 CHADMN CCCCOc1cccc(-n2c(N)nc3ccccc32)c1 ZINC001208621619 1133921485 /nfs/dbraw/zinc/92/14/85/1133921485.db2.gz RXQADQKQQQKBNR-UHFFFAOYSA-N 0 1 281.359 3.787 20 0 CHADMN C[C@@H](CN1CCOCC12CC2)c1cccc2ccccc21 ZINC001208709767 1133934820 /nfs/dbraw/zinc/93/48/20/1133934820.db2.gz OADZYNGEOBCPOL-HNNXBMFYSA-N 0 1 281.399 3.808 20 0 CHADMN c1ccc(C2(CN3Cc4cccnc4C3)CCCC2)cc1 ZINC001208772458 1133942253 /nfs/dbraw/zinc/94/22/53/1133942253.db2.gz ZGQBHMDACYQTQG-UHFFFAOYSA-N 0 1 278.399 3.909 20 0 CHADMN COc1ccccc1CCC[N@H+]1CCc2ccc(F)cc2C1 ZINC001208841213 1133949922 /nfs/dbraw/zinc/94/99/22/1133949922.db2.gz OLXZGMOGZCNXPL-UHFFFAOYSA-N 0 1 299.389 3.825 20 0 CHADMN Fc1ccc([C@@H]2CSCCN2C[C@@H]2CCC=CO2)cc1 ZINC001208880540 1133956671 /nfs/dbraw/zinc/95/66/71/1133956671.db2.gz NIMQAYFKDYOIHQ-HOTGVXAUSA-N 0 1 293.407 3.608 20 0 CHADMN c1nc2ccccn2c1NC1=CCN(c2ccccc2)CC1 ZINC001209009677 1133969579 /nfs/dbraw/zinc/96/95/79/1133969579.db2.gz QCVCONXJGCJIOC-UHFFFAOYSA-N 0 1 290.370 3.540 20 0 CHADMN CCOC(C)(C)CN1CCn2cccc2[C@H]1c1ccccc1 ZINC001209066397 1133972382 /nfs/dbraw/zinc/97/23/82/1133972382.db2.gz DTPDGYFGJKHPIB-GOSISDBHSA-N 0 1 298.430 3.708 20 0 CHADMN Fc1cc(F)cc(CC[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC001209140488 1133980552 /nfs/dbraw/zinc/98/05/52/1133980552.db2.gz JWNGQTVRSNTJTD-KRWDZBQOSA-N 0 1 273.326 3.954 20 0 CHADMN Fc1cc(F)cc(CCN2CC[C@H]2c2ccccc2)c1 ZINC001209140488 1133980556 /nfs/dbraw/zinc/98/05/56/1133980556.db2.gz JWNGQTVRSNTJTD-KRWDZBQOSA-N 0 1 273.326 3.954 20 0 CHADMN CCCn1cncc1CN[C@@H](C)c1ccc(Cl)cc1 ZINC000090203922 1133987438 /nfs/dbraw/zinc/98/74/38/1133987438.db2.gz JMKVBBHKJNYMDX-LBPRGKRZSA-N 0 1 277.799 3.797 20 0 CHADMN Cc1ccc2[nH]cc(CN3CC[C@](C)(F)[C@H](F)C3)c2c1 ZINC001209490851 1134027967 /nfs/dbraw/zinc/02/79/67/1134027967.db2.gz KDVAADKJIPRDGY-CVEARBPZSA-N 0 1 278.346 3.748 20 0 CHADMN COc1ccccc1CN(C)Cc1c(C)[nH]c2ncccc21 ZINC001209588233 1134039606 /nfs/dbraw/zinc/03/96/06/1134039606.db2.gz QJCLKFLNXSUICL-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN Cc1[nH]c2ncccc2c1C[N@H+]1CCC[C@H]1c1nccs1 ZINC001209591253 1134039981 /nfs/dbraw/zinc/03/99/81/1134039981.db2.gz RJULCGREMXRCGS-AWEZNQCLSA-N 0 1 298.415 3.665 20 0 CHADMN Cc1[nH]c2ncccc2c1CN1CCC[C@H]1c1nccs1 ZINC001209591253 1134039986 /nfs/dbraw/zinc/03/99/86/1134039986.db2.gz RJULCGREMXRCGS-AWEZNQCLSA-N 0 1 298.415 3.665 20 0 CHADMN Cc1cc(Cl)ncc1CN1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001209632197 1134044214 /nfs/dbraw/zinc/04/42/14/1134044214.db2.gz VIRGMRKCMYDXPV-PWSUYJOCSA-N 0 1 286.753 3.521 20 0 CHADMN Cc1nc2ccccn2c1CN1CCC[C@@H]2CCCC[C@H]21 ZINC001209651457 1134047102 /nfs/dbraw/zinc/04/71/02/1134047102.db2.gz VYVBYYZGJHAQEZ-JKSUJKDBSA-N 0 1 283.419 3.797 20 0 CHADMN CN(Cc1cccnc1)Cc1cccc2[nH]cc(Cl)c21 ZINC001209653117 1134047328 /nfs/dbraw/zinc/04/73/28/1134047328.db2.gz JBIDVUFEOVRLDC-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN COc1cc(CN(C)C2CC(C)C2)c(F)cc1Cl ZINC001209660558 1134048016 /nfs/dbraw/zinc/04/80/16/1134048016.db2.gz BJHSDQTUSKRYPP-UHFFFAOYSA-N 0 1 271.763 3.718 20 0 CHADMN FC1(F)CCCCN(Cc2[nH]nc3ccc(Cl)cc32)C1 ZINC001209750205 1134056831 /nfs/dbraw/zinc/05/68/31/1134056831.db2.gz FWLFAVPRKNNPLE-UHFFFAOYSA-N 0 1 299.752 3.838 20 0 CHADMN C[C@H]1CN(Cc2[nH]nc3ccc(Cl)cc32)CCC1(F)F ZINC001209750226 1134058583 /nfs/dbraw/zinc/05/85/83/1134058583.db2.gz GKGNJXFDBSFAPA-VIFPVBQESA-N 0 1 299.752 3.693 20 0 CHADMN Clc1ccc2n[nH]c(CN3CC(c4ccccc4)C3)c2c1 ZINC001209758014 1134060612 /nfs/dbraw/zinc/06/06/12/1134060612.db2.gz FEBUCKRSHFBDEK-UHFFFAOYSA-N 0 1 297.789 3.816 20 0 CHADMN CC[C@@H]1CCCN(Cc2n[nH]c3ccc(Cl)cc32)C1 ZINC001209759536 1134060952 /nfs/dbraw/zinc/06/09/52/1134060952.db2.gz POZPWZCXWRPSRA-LLVKDONJSA-N 0 1 277.799 3.838 20 0 CHADMN CC[C@@H]1CCCN(Cc2[nH]nc3ccc(Cl)cc32)C1 ZINC001209759536 1134060959 /nfs/dbraw/zinc/06/09/59/1134060959.db2.gz POZPWZCXWRPSRA-LLVKDONJSA-N 0 1 277.799 3.838 20 0 CHADMN Clc1ccc2[nH]nc(CN3CCC[C@@H]4CCC[C@@H]43)c2c1 ZINC001209756175 1134061750 /nfs/dbraw/zinc/06/17/50/1134061750.db2.gz VHPWTZKMMLZPQO-ZBEGNZNMSA-N 0 1 289.810 3.981 20 0 CHADMN Clc1ccc2n[nH]c(CN3CCC[C@@H]4CCC[C@@H]43)c2c1 ZINC001209756175 1134061757 /nfs/dbraw/zinc/06/17/57/1134061757.db2.gz VHPWTZKMMLZPQO-ZBEGNZNMSA-N 0 1 289.810 3.981 20 0 CHADMN Cc1cc(C)c(Nc2ccnn2-c2ccncc2)cc1C ZINC001209832031 1134072804 /nfs/dbraw/zinc/07/28/04/1134072804.db2.gz YWDUGQKQLARKMY-UHFFFAOYSA-N 0 1 278.359 3.936 20 0 CHADMN c1nc2ccc(Nc3cnc4c(c3)CCCC4)cc2[nH]1 ZINC001209844497 1134078869 /nfs/dbraw/zinc/07/88/69/1134078869.db2.gz OBUBYUPDMQYTFX-UHFFFAOYSA-N 0 1 264.332 3.580 20 0 CHADMN Nc1cc(Cl)nc(Cl)c1Nc1ccc2nc[nH]c2c1 ZINC001209843252 1134079336 /nfs/dbraw/zinc/07/93/36/1134079336.db2.gz VBQPTEQEIPFTBC-UHFFFAOYSA-N 0 1 294.145 3.591 20 0 CHADMN FC(F)(F)c1ccc(Nc2ccc3nc[nH]c3c2)cn1 ZINC001209842303 1134079564 /nfs/dbraw/zinc/07/95/64/1134079564.db2.gz HBVQYYRWQGNNBQ-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN Cn1nc(-c2ccccc2)cc1Nc1ccc2nc[nH]c2c1 ZINC001209842562 1134079850 /nfs/dbraw/zinc/07/98/50/1134079850.db2.gz MQDGKSGKBFFECW-UHFFFAOYSA-N 0 1 289.342 3.707 20 0 CHADMN Fc1cc(Nc2ccc3nc[nH]c3c2)c(F)c(F)c1F ZINC001209846715 1134081515 /nfs/dbraw/zinc/08/15/15/1134081515.db2.gz JJRUTDYLVNIZAT-UHFFFAOYSA-N 0 1 281.212 3.863 20 0 CHADMN O=c1cccc2[nH]cc(Nc3ccc4nc[nH]c4c3)cc1-2 ZINC001209849198 1134083803 /nfs/dbraw/zinc/08/38/03/1134083803.db2.gz VHFBPDYDZURRBU-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN CC(=O)c1cc(Nc2ccc3nc[nH]c3c2)cc(C(C)=O)c1 ZINC001209851091 1134084681 /nfs/dbraw/zinc/08/46/81/1134084681.db2.gz GXKPMPHEHOUERS-UHFFFAOYSA-N 0 1 293.326 3.712 20 0 CHADMN CCOC(=O)c1ccc(F)cc1Nc1ccc2nc[nH]c2c1 ZINC001209849442 1134085327 /nfs/dbraw/zinc/08/53/27/1134085327.db2.gz ZZESWBIFPQIUOS-UHFFFAOYSA-N 0 1 299.305 3.622 20 0 CHADMN CO[C@@H](C)c1cccc(Nc2ccnn2-c2ccncc2)c1 ZINC001209949040 1134107854 /nfs/dbraw/zinc/10/78/54/1134107854.db2.gz DGGHEZCKSQHDSY-ZDUSSCGKSA-N 0 1 294.358 3.718 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(Cl)c2cnccc12 ZINC001209968545 1134111059 /nfs/dbraw/zinc/11/10/59/1134111059.db2.gz CTRBSLWREKQYEZ-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(F)cc(Cl)c1 ZINC001209966931 1134111245 /nfs/dbraw/zinc/11/12/45/1134111245.db2.gz KCPHTSPUUKQTTL-UHFFFAOYSA-N 0 1 251.692 3.508 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(Oc2ccncc2)cc1 ZINC001209965730 1134111911 /nfs/dbraw/zinc/11/19/11/1134111911.db2.gz GTJQQVALEYXURI-UHFFFAOYSA-N 0 1 292.342 3.903 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc(-c2ccncc2)c1 ZINC001209969241 1134112425 /nfs/dbraw/zinc/11/24/25/1134112425.db2.gz JBJZUYGKBALAEO-UHFFFAOYSA-N 0 1 276.343 3.778 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(Cl)c2ncccc2c1 ZINC001209970888 1134112769 /nfs/dbraw/zinc/11/27/69/1134112769.db2.gz IJXCTECSLLJMPE-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN FCCCCO[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001209987598 1134116950 /nfs/dbraw/zinc/11/69/50/1134116950.db2.gz JMWDHHKAXOILAJ-HNNXBMFYSA-N 0 1 285.790 3.681 20 0 CHADMN COc1cc(Nc2ccc3cnccc3c2)ncc1C ZINC001210047099 1134134045 /nfs/dbraw/zinc/13/40/45/1134134045.db2.gz KKCFJXIJVAIYJC-UHFFFAOYSA-N 0 1 265.316 3.690 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cn(C2CCC2)cn1 ZINC001210101515 1134145439 /nfs/dbraw/zinc/14/54/39/1134145439.db2.gz GYULXNHXVWFNLD-UHFFFAOYSA-N 0 1 267.336 3.536 20 0 CHADMN CC(=O)Nc1ccc(Nc2cc3cn[nH]c3cc2C)cc1 ZINC001210101234 1134145543 /nfs/dbraw/zinc/14/55/43/1134145543.db2.gz CATLVQXTIHQSCL-UHFFFAOYSA-N 0 1 280.331 3.573 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(OC(C)C)nc1 ZINC001210101230 1134145651 /nfs/dbraw/zinc/14/56/51/1134145651.db2.gz FDAVVPXQYQSJQT-UHFFFAOYSA-N 0 1 282.347 3.797 20 0 CHADMN COc1ccc(Cl)c(Nc2cc3cn[nH]c3cc2C)n1 ZINC001210101513 1134146054 /nfs/dbraw/zinc/14/60/54/1134146054.db2.gz GXZLDKBORCXJFQ-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN CC(=O)c1ccc(Nc2cc3cn[nH]c3cc2C)cc1 ZINC001210101506 1134146100 /nfs/dbraw/zinc/14/61/00/1134146100.db2.gz GFPOKLCUNOAVGO-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(C2CC2)nc1 ZINC001210101641 1134146417 /nfs/dbraw/zinc/14/64/17/1134146417.db2.gz IVACLJWEQLARBC-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1cnn(CC2CC2)c1Nc1cc2cn[nH]c2cc1C ZINC001210102606 1134146740 /nfs/dbraw/zinc/14/67/40/1134146740.db2.gz POBFXTBDSKMXQM-UHFFFAOYSA-N 0 1 281.363 3.530 20 0 CHADMN COc1cccc(Nc2cc3cn[nH]c3cc2C)c1F ZINC001210103092 1134146788 /nfs/dbraw/zinc/14/67/88/1134146788.db2.gz VASFLULHFCDRNS-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2nsnc2c1 ZINC001210103237 1134146966 /nfs/dbraw/zinc/14/69/66/1134146966.db2.gz WQDINVFUBVVWNF-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccnc1OC(F)F ZINC001210102692 1134147294 /nfs/dbraw/zinc/14/72/94/1134147294.db2.gz QWKQBQIQBAVJSX-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cnc2ccc(O)cc2c1 ZINC001210102120 1134147343 /nfs/dbraw/zinc/14/73/43/1134147343.db2.gz LOMWKBFPPPWCFZ-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN COC(=O)c1cc(F)ccc1Nc1cc2cn[nH]c2cc1C ZINC001210104725 1134147825 /nfs/dbraw/zinc/14/78/25/1134147825.db2.gz BPUXEEPANLROKX-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN COc1cc(F)c(F)cc1Nc1cc2cn[nH]c2cc1C ZINC001210104840 1134147842 /nfs/dbraw/zinc/14/78/42/1134147842.db2.gz FDTRQYYFUUXINI-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN COc1cccc(C(C)=O)c1Nc1cc2cn[nH]c2cc1C ZINC001210104985 1134148164 /nfs/dbraw/zinc/14/81/64/1134148164.db2.gz HBVQKLOHFSNIIO-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN CC(=O)Oc1ccc(Nc2cc3cn[nH]c3cc2C)cc1 ZINC001210105760 1134148740 /nfs/dbraw/zinc/14/87/40/1134148740.db2.gz IREQBIBDLPAYEH-UHFFFAOYSA-N 0 1 281.315 3.540 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2c(c1)[C@@H](O)CCC2 ZINC001210106154 1134148890 /nfs/dbraw/zinc/14/88/90/1134148890.db2.gz QDHHJRAXILUEJH-SFHVURJKSA-N 0 1 293.370 3.985 20 0 CHADMN CCn1ncc2cc(Nc3cc4cn[nH]c4cc3C)ccc21 ZINC001210106540 1134149359 /nfs/dbraw/zinc/14/93/59/1134149359.db2.gz RYNRLDYMKGKAOX-UHFFFAOYSA-N 0 1 291.358 3.985 20 0 CHADMN Fc1cc(F)c(Nc2nonc2C2CC2)cc1Cl ZINC001210111560 1134151179 /nfs/dbraw/zinc/15/11/79/1134151179.db2.gz RSGVRQCHTSBWEZ-UHFFFAOYSA-N 0 1 271.654 3.622 20 0 CHADMN Cc1coc(Nc2cc(Cl)c(O)c(Cl)c2)n1 ZINC001210923146 1134327969 /nfs/dbraw/zinc/32/79/69/1134327969.db2.gz LKRZRINWSIWICA-UHFFFAOYSA-N 0 1 259.092 3.739 20 0 CHADMN Nc1cccc(O)c1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210931348 1134329765 /nfs/dbraw/zinc/32/97/65/1134329765.db2.gz UBEPZEHXFUGIDR-UHFFFAOYSA-N 0 1 285.130 3.730 20 0 CHADMN CC(=Nc1ccnn1-c1ccccc1)c1ccccc1 ZINC001210981854 1134341093 /nfs/dbraw/zinc/34/10/93/1134341093.db2.gz CBUFKYLDCXDFDI-UHFFFAOYSA-N 0 1 261.328 3.955 20 0 CHADMN CC(=Nc1ccc(OC(F)F)nc1)c1ccccc1 ZINC001210982922 1134341115 /nfs/dbraw/zinc/34/11/15/1134341115.db2.gz JOIKUBADDHSNQF-UHFFFAOYSA-N 0 1 262.259 3.766 20 0 CHADMN C=C(Nc1ccccc1N1CCN(C)CC1)c1ccccc1 ZINC001210984936 1134342497 /nfs/dbraw/zinc/34/24/97/1134342497.db2.gz GCJPVXUWJPAEEJ-UHFFFAOYSA-N 0 1 293.414 3.521 20 0 CHADMN Nc1nc2ccccc2n1-c1cncc(-c2ccccc2)c1 ZINC001211019743 1134349994 /nfs/dbraw/zinc/34/99/94/1134349994.db2.gz FGUXMVMTNJQUFO-UHFFFAOYSA-N 0 1 286.338 3.670 20 0 CHADMN Cc1ncn(C)c1Nc1cccc(-c2cccnc2)c1 ZINC001211143964 1134379929 /nfs/dbraw/zinc/37/99/29/1134379929.db2.gz KKLVTGPMPURFMK-UHFFFAOYSA-N 0 1 264.332 3.534 20 0 CHADMN COc1cccc(-c2cccc(Nc3cncn3C)c2)c1 ZINC001211249745 1134398363 /nfs/dbraw/zinc/39/83/63/1134398363.db2.gz ZYDAZRQBZUKTJQ-UHFFFAOYSA-N 0 1 279.343 3.839 20 0 CHADMN Cn1cncc1Nc1c(F)cccc1OCC(C)(C)C ZINC001211252302 1134400252 /nfs/dbraw/zinc/40/02/52/1134400252.db2.gz JDOVCGFJOOKAGG-UHFFFAOYSA-N 0 1 277.343 3.728 20 0 CHADMN COc1cnccc1Nc1cccc(C(F)F)c1Cl ZINC001211266045 1134400416 /nfs/dbraw/zinc/40/04/16/1134400416.db2.gz XULJBJRLQLTFRG-UHFFFAOYSA-N 0 1 284.693 3.847 20 0 CHADMN [O-]c1cc(F)c(-c2ccc([C@H]3CCC[NH2+]3)cc2)cc1F ZINC001211350227 1134411469 /nfs/dbraw/zinc/41/14/69/1134411469.db2.gz PBMXCXLBHBOURL-OAHLLOKOSA-N 0 1 275.298 3.762 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)ccc12 ZINC000091827442 1134418241 /nfs/dbraw/zinc/41/82/41/1134418241.db2.gz NNJOARFYBVZANV-HZPDHXFCSA-N 0 1 291.354 3.614 20 0 CHADMN COc1cc(C)cc(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213074261 1134420945 /nfs/dbraw/zinc/42/09/45/1134420945.db2.gz MEBMBHQRVPZAAV-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1nc2cc(Nc3ccnc(Cl)c3F)ccc2[nH]1 ZINC001213071528 1134421022 /nfs/dbraw/zinc/42/10/22/1134421022.db2.gz WHXRRBXSAAEJDU-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1nc2ccc(Nc3ccnc(Cl)c3F)cc2[nH]1 ZINC001213071528 1134421025 /nfs/dbraw/zinc/42/10/25/1134421025.db2.gz WHXRRBXSAAEJDU-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1nc2cc(Nc3ccc(-n4cccn4)cc3)ccc2[nH]1 ZINC001213073161 1134421937 /nfs/dbraw/zinc/42/19/37/1134421937.db2.gz HFCMYGDNFKXDKC-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1nc2cc(Nc3cccc4nnsc43)ccc2[nH]1 ZINC001213076078 1134423131 /nfs/dbraw/zinc/42/31/31/1134423131.db2.gz DCNIVXPIQQSOSA-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1nc2cc(Nc3cccc(Cl)c3CO)ccc2[nH]1 ZINC001213075410 1134423322 /nfs/dbraw/zinc/42/33/22/1134423322.db2.gz RQENQKKZAUBIIX-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1ccc(N)c2nn(-c3ccnc(C(C)(C)C)c3)cc21 ZINC001213166465 1134432748 /nfs/dbraw/zinc/43/27/48/1134432748.db2.gz CVXVLTYQNXHWRZ-UHFFFAOYSA-N 0 1 280.375 3.609 20 0 CHADMN CC(C)(C)c1cc(Nc2cc3ccccn3n2)ccn1 ZINC001213163906 1134433000 /nfs/dbraw/zinc/43/30/00/1134433000.db2.gz CBUDGAZCHMXMNH-UHFFFAOYSA-N 0 1 266.348 3.770 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(N2CCCCC2)cc1F ZINC001213840310 1134490403 /nfs/dbraw/zinc/49/04/03/1134490403.db2.gz ZQKOANXOPFYNEK-UHFFFAOYSA-N 0 1 288.370 3.602 20 0 CHADMN Cc1cc(F)cc(-n2c(N)nc3ccccc32)c1Cl ZINC001214072056 1134508811 /nfs/dbraw/zinc/50/88/11/1134508811.db2.gz ZRGWZXIFHYWHRU-UHFFFAOYSA-N 0 1 275.714 3.709 20 0 CHADMN OCc1cc(Nc2c(Cl)cc(F)cc2Cl)ccn1 ZINC001214475065 1134542340 /nfs/dbraw/zinc/54/23/40/1134542340.db2.gz FASRVBQXTMLDSP-UHFFFAOYSA-N 0 1 287.121 3.763 20 0 CHADMN CC(=O)c1cccc(Nc2cc(F)c(O)c(Cl)c2)c1O ZINC001214490390 1134545309 /nfs/dbraw/zinc/54/53/09/1134545309.db2.gz VOUDRHBDAAJBBD-UHFFFAOYSA-N 0 1 295.697 3.837 20 0 CHADMN Fc1ccc(Cl)c(Cl)c1Nc1noc2nccnc12 ZINC001214505507 1134546340 /nfs/dbraw/zinc/54/63/40/1134546340.db2.gz WLXCDESREINPMD-UHFFFAOYSA-N 0 1 299.092 3.807 20 0 CHADMN CC(C)n1cc(Nc2ccc(Cl)c(O)c2F)cn1 ZINC001214793951 1134573453 /nfs/dbraw/zinc/57/34/53/1134573453.db2.gz QGPCVTRUOCUWKM-UHFFFAOYSA-N 0 1 269.707 3.706 20 0 CHADMN COc1ncc(Nc2ccc(Cl)c(O)c2F)cc1C ZINC001214793825 1134573825 /nfs/dbraw/zinc/57/38/25/1134573825.db2.gz MSCTWMDUYAOYEH-UHFFFAOYSA-N 0 1 282.702 3.640 20 0 CHADMN Oc1ccc(Nc2ccc(Cl)c(O)c2F)cc1F ZINC001214799151 1134574710 /nfs/dbraw/zinc/57/47/10/1134574710.db2.gz NZQBQBBCMKSERJ-UHFFFAOYSA-N 0 1 271.650 3.773 20 0 CHADMN Cc1cccc(N)c1Nc1ccc(Cl)c(O)c1F ZINC001214802208 1134575734 /nfs/dbraw/zinc/57/57/34/1134575734.db2.gz XOUOGSNWXKVYOQ-UHFFFAOYSA-N 0 1 266.703 3.819 20 0 CHADMN COc1cc(N[C@@H]2CCCc3[nH]ncc32)ccc1Cl ZINC000401606529 1134617557 /nfs/dbraw/zinc/61/75/57/1134617557.db2.gz IZZOTRVOTJIGKG-GFCCVEGCSA-N 0 1 277.755 3.561 20 0 CHADMN COc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1Cl ZINC000401612006 1134618197 /nfs/dbraw/zinc/61/81/97/1134618197.db2.gz NQLPJMHNCOPUKS-GFCCVEGCSA-N 0 1 277.755 3.561 20 0 CHADMN COC(=O)c1ccc(CN[C@H](C)c2cccs2)c(F)c1 ZINC000182553785 1134619426 /nfs/dbraw/zinc/61/94/26/1134619426.db2.gz KATYKZXZBYARCD-SNVBAGLBSA-N 0 1 293.363 3.525 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(F)c2n[nH]cc21 ZINC001215373622 1134620246 /nfs/dbraw/zinc/62/02/46/1134620246.db2.gz VQSQZYDBMQGLRH-UHFFFAOYSA-N 0 1 299.284 3.541 20 0 CHADMN CCCCOc1ccc(Nc2ccncc2)c(F)c1 ZINC001215481310 1134631572 /nfs/dbraw/zinc/63/15/72/1134631572.db2.gz ATNAZUPTYAMDMJ-UHFFFAOYSA-N 0 1 260.312 3.565 20 0 CHADMN CCCCOc1ccc(Nc2c(C)ncn2C)c(F)c1 ZINC001215481800 1134631806 /nfs/dbraw/zinc/63/18/06/1134631806.db2.gz ZXYNGWOSOMNFDD-UHFFFAOYSA-N 0 1 277.343 3.790 20 0 CHADMN Fc1cc(Nc2cncc(C(F)(F)F)c2)cc2[nH]ncc21 ZINC001215553083 1134639345 /nfs/dbraw/zinc/63/93/45/1134639345.db2.gz OAWGWEVXOHFJFF-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Fc1cc(Nc2nccc3ccccc32)cc2[nH]ncc21 ZINC001215552583 1134639418 /nfs/dbraw/zinc/63/94/18/1134639418.db2.gz UBNXDZMQPDOCRO-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Fc1cc(Nc2ccc(OCC3CC3)nc2)cc2[nH]ncc21 ZINC001215555154 1134641076 /nfs/dbraw/zinc/64/10/76/1134641076.db2.gz KNFCWZZYVWTQPG-UHFFFAOYSA-N 0 1 298.321 3.629 20 0 CHADMN COc1cc(F)c(F)cc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215556932 1134641925 /nfs/dbraw/zinc/64/19/25/1134641925.db2.gz MSMIXYXVCALQCX-UHFFFAOYSA-N 0 1 293.248 3.732 20 0 CHADMN COc1ccc(Nc2cc3[nH]ncc3c(F)c2)cc1C ZINC001215556423 1134642048 /nfs/dbraw/zinc/64/20/48/1134642048.db2.gz FWMAPJSBEKNCPV-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1nn(C)c2cc(Nc3cc4[nH]ncc4c(F)c3)ccc12 ZINC001215556398 1134642054 /nfs/dbraw/zinc/64/20/54/1134642054.db2.gz DLVRYMNAEGTZCY-UHFFFAOYSA-N 0 1 295.321 3.641 20 0 CHADMN COc1ccc(F)c(Nc2cc3[nH]ncc3c(F)c2)c1F ZINC001215557116 1134642592 /nfs/dbraw/zinc/64/25/92/1134642592.db2.gz QTDRRCDALOPNBA-UHFFFAOYSA-N 0 1 293.248 3.732 20 0 CHADMN COc1cc(Cl)nc(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215756171 1134674307 /nfs/dbraw/zinc/67/43/07/1134674307.db2.gz LNPSIUSZXJIWAS-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1ccc(Nc2nsc3ncccc23)c2cn[nH]c21 ZINC001215756544 1134674342 /nfs/dbraw/zinc/67/43/42/1134674342.db2.gz UGVIHUBXBUGENJ-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1cc(Nc2ccc(C)c3[nH]ncc32)n(CC2CCC2)n1 ZINC001215756018 1134674867 /nfs/dbraw/zinc/67/48/67/1134674867.db2.gz IXCKCGFRGNVYDE-UHFFFAOYSA-N 0 1 295.390 3.920 20 0 CHADMN Cc1ccc(Nc2ccc(C)c3[nH]ncc32)c(O)c1 ZINC001215756860 1134675032 /nfs/dbraw/zinc/67/50/32/1134675032.db2.gz GKEKLYDGJVYNGS-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1ccc(Nc2ccccc2N(C)C)c2cn[nH]c21 ZINC001215756592 1134675201 /nfs/dbraw/zinc/67/52/01/1134675201.db2.gz CAHMFSOUNNYLLJ-UHFFFAOYSA-N 0 1 266.348 3.681 20 0 CHADMN COc1cc(C)c(Nc2ccc(C)c3[nH]ncc32)cc1OC ZINC001215757759 1134675696 /nfs/dbraw/zinc/67/56/96/1134675696.db2.gz ZRQRVQDIUQXRFL-UHFFFAOYSA-N 0 1 297.358 3.941 20 0 CHADMN COC(=O)c1cccc(F)c1Nc1ccc(C)c2[nH]ncc21 ZINC001215758357 1134675733 /nfs/dbraw/zinc/67/57/33/1134675733.db2.gz QTGNSOTZEXJXLV-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1ccc(Nc2cccc3c(=O)[nH]ccc23)c2cn[nH]c21 ZINC001215757964 1134675874 /nfs/dbraw/zinc/67/58/74/1134675874.db2.gz BDXYBVGSVLYVGR-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN COc1ccc(Nc2ccc(C)c3[nH]ncc32)cc1 ZINC001215757386 1134676027 /nfs/dbraw/zinc/67/60/27/1134676027.db2.gz RAIRIFBGPJCTEK-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cc1ccc(Nc2ccc([C@@H](C)O)cc2)c2cn[nH]c21 ZINC001215758325 1134676422 /nfs/dbraw/zinc/67/64/22/1134676422.db2.gz PRKYMADCWBRFLS-LLVKDONJSA-N 0 1 267.332 3.668 20 0 CHADMN COC(=O)c1cc(F)ccc1Nc1ccc(C)c2[nH]ncc21 ZINC001215758011 1134676645 /nfs/dbraw/zinc/67/66/45/1134676645.db2.gz DKLGRGBOQIHKCL-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1ccc(N2CCCc3cc(N)ccc32)c2cn[nH]c21 ZINC001215759959 1134676996 /nfs/dbraw/zinc/67/69/96/1134676996.db2.gz AITBPRBGOJUCCQ-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN Cc1ccc(Nc2ccc3oc(=O)ccc3c2)c2cn[nH]c21 ZINC001215760136 1134677251 /nfs/dbraw/zinc/67/72/51/1134677251.db2.gz HQRYJLUFUTXDEH-UHFFFAOYSA-N 0 1 291.310 3.721 20 0 CHADMN Cc1ccc(N2CCCc3c(N)cccc32)c2cn[nH]c21 ZINC001215759541 1134677312 /nfs/dbraw/zinc/67/73/12/1134677312.db2.gz NSUWTBTTZKVLLY-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN Cc1ccc(Nc2cc(O)ccc2Cl)c2cn[nH]c21 ZINC001215759669 1134677515 /nfs/dbraw/zinc/67/75/15/1134677515.db2.gz PKIOVLUFNSLUEA-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN CCc1ccc(Nc2ccc(C)c3[nH]ncc32)c(O)c1 ZINC001215759729 1134677517 /nfs/dbraw/zinc/67/75/17/1134677517.db2.gz SDHKTWSFLPUSGQ-UHFFFAOYSA-N 0 1 267.332 3.883 20 0 CHADMN COc1cccc(C(C)=O)c1Nc1ccc(C)c2[nH]ncc21 ZINC001215759839 1134677580 /nfs/dbraw/zinc/67/75/80/1134677580.db2.gz YIZCQTGQETZFLJ-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN CC(=O)c1ccc(F)c(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215759187 1134677672 /nfs/dbraw/zinc/67/76/72/1134677672.db2.gz IXJDMLSHQGGAPD-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN Cc1ccc(Nc2cccc3c2ncn3C)c2cn[nH]c21 ZINC001215760101 1134677691 /nfs/dbraw/zinc/67/76/91/1134677691.db2.gz GOWVNDZWEDGHTO-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1ccc(-c2noc(-c3ccc(O)c(F)c3)n2)cc1C ZINC001215792586 1134688134 /nfs/dbraw/zinc/68/81/34/1134688134.db2.gz XCDYHGGGGDHYRR-UHFFFAOYSA-N 0 1 284.290 3.865 20 0 CHADMN Nc1cc(F)c(F)cc1Nc1cc(Cl)cc2[nH]ncc21 ZINC001215859517 1134705663 /nfs/dbraw/zinc/70/56/63/1134705663.db2.gz MGONIBWKSXBZSN-UHFFFAOYSA-N 0 1 294.692 3.820 20 0 CHADMN OCc1ccc(F)cc1Nc1cc(Cl)cc2[nH]ncc21 ZINC001215861630 1134705905 /nfs/dbraw/zinc/70/59/05/1134705905.db2.gz JQQXNGYYLQIIKL-UHFFFAOYSA-N 0 1 291.713 3.591 20 0 CHADMN COc1ccc(Nc2ccc3nccn3c2)cc1SC ZINC001215932072 1134724066 /nfs/dbraw/zinc/72/40/66/1134724066.db2.gz RJIOUHJEXUOMAD-UHFFFAOYSA-N 0 1 285.372 3.808 20 0 CHADMN Cn1cncc1Nc1c(F)c(Cl)cc(Cl)c1F ZINC001215937579 1134726032 /nfs/dbraw/zinc/72/60/32/1134726032.db2.gz SBYOYLYBYYNYHY-UHFFFAOYSA-N 0 1 278.089 3.749 20 0 CHADMN CN(c1cc(N)ccn1)c1c(F)ccc(C2CC2)c1F ZINC001215993136 1134744399 /nfs/dbraw/zinc/74/43/99/1134744399.db2.gz NSMOTXGZTUPCPC-UHFFFAOYSA-N 0 1 275.302 3.587 20 0 CHADMN CC(C)c1cc(Nc2ccnn2-c2ccncc2)ccc1N ZINC001216044784 1134759483 /nfs/dbraw/zinc/75/94/83/1134759483.db2.gz DNAISBAXECGHID-UHFFFAOYSA-N 0 1 293.374 3.717 20 0 CHADMN Cc1ncn(-c2ccc(C)c(-c3ccccc3)c2)c1N ZINC001216147634 1134790161 /nfs/dbraw/zinc/79/01/61/1134790161.db2.gz CIFRLFNNPUOTSE-UHFFFAOYSA-N 0 1 263.344 3.738 20 0 CHADMN CCN(CC)c1cc(F)cc(-n2c(N)nc3ccccc32)c1 ZINC001216181407 1134798171 /nfs/dbraw/zinc/79/81/71/1134798171.db2.gz PPROHPDUAJRRIS-UHFFFAOYSA-N 0 1 298.365 3.593 20 0 CHADMN CCCc1ccnc(Nc2cccc(CN(C)C)c2F)c1 ZINC001216228604 1134812831 /nfs/dbraw/zinc/81/28/31/1134812831.db2.gz MWEZJPDEAZJNJW-UHFFFAOYSA-N 0 1 287.382 3.978 20 0 CHADMN CN(C)Cc1cccc(Nc2cnc3c(c2)CCCC3)c1F ZINC001216228242 1134813089 /nfs/dbraw/zinc/81/30/89/1134813089.db2.gz XHNAATMGFBSSBH-UHFFFAOYSA-N 0 1 299.393 3.905 20 0 CHADMN Cc1ccc(Nc2cccc(CN(C)C)c2F)cc1 ZINC001216231098 1134815942 /nfs/dbraw/zinc/81/59/42/1134815942.db2.gz ROHFFIPXNMBRFB-UHFFFAOYSA-N 0 1 258.340 3.939 20 0 CHADMN CN(C)Cc1cccc(N2CCCc3c(N)cccc32)c1F ZINC001216232788 1134817462 /nfs/dbraw/zinc/81/74/62/1134817462.db2.gz OSBMPECGSMNPSR-UHFFFAOYSA-N 0 1 299.393 3.554 20 0 CHADMN CCOc1ccc(C)c(Nc2ccnn2-c2ccncc2)c1 ZINC001216236673 1134818237 /nfs/dbraw/zinc/81/82/37/1134818237.db2.gz VUUHQSGKPOQFEE-UHFFFAOYSA-N 0 1 294.358 3.718 20 0 CHADMN Cc1ncn(-c2c(Cl)cc(Cl)cc2Cl)c1N ZINC001216299013 1134841331 /nfs/dbraw/zinc/84/13/31/1134841331.db2.gz RYUYBAHZQMDHHB-UHFFFAOYSA-N 0 1 276.554 3.723 20 0 CHADMN Fc1ccc(Cl)c(Nc2ccnn2-c2ccncc2)c1 ZINC001216478484 1134903265 /nfs/dbraw/zinc/90/32/65/1134903265.db2.gz STOQQGCZBPPAMM-UHFFFAOYSA-N 0 1 288.713 3.803 20 0 CHADMN Oc1cccc(Cl)c1-c1nc(-c2ccccc2)no1 ZINC001216522154 1134914123 /nfs/dbraw/zinc/91/41/23/1134914123.db2.gz ILCFZXMNHVEKDZ-UHFFFAOYSA-N 0 1 272.691 3.763 20 0 CHADMN CC(=O)c1ccc(Nc2cncn2Cc2ccccc2)cc1 ZINC001216552553 1134918054 /nfs/dbraw/zinc/91/80/54/1134918054.db2.gz SOJLGSDJXBRJBH-UHFFFAOYSA-N 0 1 291.354 3.878 20 0 CHADMN CCc1ccc(C)nc1Nc1cncn1Cc1ccccc1 ZINC001216549071 1134918099 /nfs/dbraw/zinc/91/80/99/1134918099.db2.gz OXTYGNCKUIYUPV-UHFFFAOYSA-N 0 1 292.386 3.941 20 0 CHADMN Fc1cc(F)cc(Nc2cncn2Cc2ccccc2)c1 ZINC001216552683 1134918129 /nfs/dbraw/zinc/91/81/29/1134918129.db2.gz XHXOASXBYHFDQW-UHFFFAOYSA-N 0 1 285.297 3.953 20 0 CHADMN CCc1cccc(O)c1Nc1cncn1Cc1ccccc1 ZINC001216555203 1134919644 /nfs/dbraw/zinc/91/96/44/1134919644.db2.gz YPRWVXLRWPYJPV-UHFFFAOYSA-N 0 1 293.370 3.943 20 0 CHADMN Cc1ccc(O)c(Nc2cncn2Cc2ccccc2)c1 ZINC001216553229 1134920256 /nfs/dbraw/zinc/92/02/56/1134920256.db2.gz KVNZBGAGRYWGCZ-UHFFFAOYSA-N 0 1 279.343 3.689 20 0 CHADMN Nc1cncn1-c1ccccc1OCc1cccc(Cl)c1 ZINC001216571066 1134921935 /nfs/dbraw/zinc/92/19/35/1134921935.db2.gz IENGPDBVUZTFOJ-UHFFFAOYSA-N 0 1 299.761 3.687 20 0 CHADMN C[C@@H](CN1CCC=C(Br)C1)c1ccccc1 ZINC000404188618 1134935675 /nfs/dbraw/zinc/93/56/75/1134935675.db2.gz FGXWEHHZVAMPNI-LBPRGKRZSA-N 0 1 280.209 3.775 20 0 CHADMN Oc1cccc(-c2nc(-c3ccc(F)cc3)no2)c1Cl ZINC001216789318 1134947867 /nfs/dbraw/zinc/94/78/67/1134947867.db2.gz QDEFJWIGZJIDKJ-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)CCc2ccccc21 ZINC000404792094 1134949546 /nfs/dbraw/zinc/94/95/46/1134949546.db2.gz HOGZSJZLMRMWPQ-CYBMUJFWSA-N 0 1 286.806 3.897 20 0 CHADMN CCc1cccc(-c2noc(-c3ccc4[nH]cnc4c3)n2)c1 ZINC001217130593 1134963048 /nfs/dbraw/zinc/96/30/48/1134963048.db2.gz AXVRRTHKBDRVLF-UHFFFAOYSA-N 0 1 290.326 3.842 20 0 CHADMN Cc1cc(F)cc(-c2noc(-c3ccc4[nH]cnc4c3)n2)c1 ZINC001217131428 1134964478 /nfs/dbraw/zinc/96/44/78/1134964478.db2.gz LRFCJSRSRYPKJW-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN CCc1ccc(-c2noc(-c3cnc4[nH]cccc3-4)n2)cc1 ZINC001217146035 1134965561 /nfs/dbraw/zinc/96/55/61/1134965561.db2.gz VXPSJUMTVMPWMO-UHFFFAOYSA-N 0 1 290.326 3.842 20 0 CHADMN Fc1cccc(-c2noc(-c3cc4cccnc4[nH]3)n2)c1F ZINC001217306628 1134971434 /nfs/dbraw/zinc/97/14/34/1134971434.db2.gz ZNYLIKMGPIEZJJ-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN Cc1ccc(F)c(-c2noc(-c3cc4cccnc4[nH]3)n2)c1 ZINC001217308387 1134971530 /nfs/dbraw/zinc/97/15/30/1134971530.db2.gz QXCGEGOPJQRAMF-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1cccc2nc(-c3nc(-c4ccccc4)no3)[nH]c21 ZINC001217336470 1134973225 /nfs/dbraw/zinc/97/32/25/1134973225.db2.gz YCCRYBQVHSVCBW-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN Cc1[nH]nc2cc(-c3nc(-c4ccccc4)no3)ccc12 ZINC001217576013 1134983498 /nfs/dbraw/zinc/98/34/98/1134983498.db2.gz HHXUTGOTFLELIK-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN CN[C@@H](C)c1nnc(-c2cccc(Oc3ccccc3)c2)o1 ZINC001217697050 1134988183 /nfs/dbraw/zinc/98/81/83/1134988183.db2.gz UBMLVTJGYOHZOQ-LBPRGKRZSA-N 0 1 295.342 3.809 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H]2c2nnc([C@H]3CC[C@@H](C)CN3)o2)cc1 ZINC001217701320 1134988356 /nfs/dbraw/zinc/98/83/56/1134988356.db2.gz DFTJNHLTPKUCOE-SYAUCNOPSA-N 0 1 297.402 3.710 20 0 CHADMN CC[C@H](C)[C@H](NC)c1nnc([C@H]2C[C@@H]2c2ccccc2)o1 ZINC001217722758 1134990069 /nfs/dbraw/zinc/99/00/69/1134990069.db2.gz FDFNGEQNCSWRJV-ATGSNQNLSA-N 0 1 285.391 3.647 20 0 CHADMN CCCCC[C@H](NC)c1nnc(Cc2ccccc2C)o1 ZINC001217756815 1134994627 /nfs/dbraw/zinc/99/46/27/1134994627.db2.gz WILQJHUHJNZOIR-HNNXBMFYSA-N 0 1 287.407 3.810 20 0 CHADMN C[NH2+][C@H]1CC[C@H](Oc2cc([O-])c(Cl)cc2Cl)CC1 ZINC001218189437 1135066397 /nfs/dbraw/zinc/06/63/97/1135066397.db2.gz UWDZCYKILJOCKQ-KYZUINATSA-N 0 1 290.190 3.608 20 0 CHADMN N[C@H](C(=O)Nc1ccc2cc(F)ccc2c1)c1ccccc1 ZINC001218982207 1135125003 /nfs/dbraw/zinc/12/50/03/1135125003.db2.gz OPPMKCUJSJJADX-KRWDZBQOSA-N 0 1 294.329 3.617 20 0 CHADMN CCOc1ccc(-c2cccc3nc(C)[nH]c32)c(C)n1 ZINC001222110315 1135193815 /nfs/dbraw/zinc/19/38/15/1135193815.db2.gz IFQXSVNMYYYKRP-UHFFFAOYSA-N 0 1 267.332 3.640 20 0 CHADMN CC(C)c1ccc(COC2CN(C(C)(C)C)C2)cc1 ZINC001222111906 1135193913 /nfs/dbraw/zinc/19/39/13/1135193913.db2.gz GRVHDXMMQXLJSV-UHFFFAOYSA-N 0 1 261.409 3.809 20 0 CHADMN Cc1cc2[nH]ccc2c(-c2cn(C)nc2-c2ccccc2)n1 ZINC001222517568 1135247594 /nfs/dbraw/zinc/24/75/94/1135247594.db2.gz ZZRXASBBVULZED-UHFFFAOYSA-N 0 1 288.354 3.939 20 0 CHADMN c1ncc(COC2c3ccccc3-c3ccccc32)[nH]1 ZINC001223000548 1135293379 /nfs/dbraw/zinc/29/33/79/1135293379.db2.gz PVVJCFBKVWHTRZ-UHFFFAOYSA-N 0 1 262.312 3.696 20 0 CHADMN Cc1cc(COCc2cnc[nH]2)cc(C)c1OC(C)C ZINC001223006524 1135294242 /nfs/dbraw/zinc/29/42/42/1135294242.db2.gz ADYAKVFFUNJMFA-UHFFFAOYSA-N 0 1 274.364 3.531 20 0 CHADMN CCCCc1ccc(COC2CCN(CCF)CC2)cc1 ZINC001223848200 1135390279 /nfs/dbraw/zinc/39/02/79/1135390279.db2.gz UJFBUSWKMNNHFC-UHFFFAOYSA-N 0 1 293.426 3.980 20 0 CHADMN Cc1ccc2cc(COC3CN(C(C)(C)C)C3)ccc2n1 ZINC001223985735 1135405382 /nfs/dbraw/zinc/40/53/82/1135405382.db2.gz MMYDGHNDBCKWQK-UHFFFAOYSA-N 0 1 284.403 3.543 20 0 CHADMN C[C@@H](Oc1[nH]c(=O)ncc1F)c1cc2ccccc2s1 ZINC001225881494 1135633326 /nfs/dbraw/zinc/63/33/26/1135633326.db2.gz JDTYTVOBMJWTFZ-MRVPVSSYSA-N 0 1 290.319 3.676 20 0 CHADMN CN1CCC[C@@H](Oc2cccc(C(F)(F)F)c2Cl)C1 ZINC001225888282 1135634294 /nfs/dbraw/zinc/63/42/94/1135634294.db2.gz KJTMDRAGMILREJ-SECBINFHSA-N 0 1 293.716 3.832 20 0 CHADMN C[C@H](Oc1cccc2[nH]nnc21)c1cccc(Cl)c1 ZINC001225990868 1135649097 /nfs/dbraw/zinc/64/90/97/1135649097.db2.gz LUZHJLOZWUKYHQ-VIFPVBQESA-N 0 1 273.723 3.751 20 0 CHADMN Cc1cc(COc2cccc3[nH]nnc32)ccc1OC(C)C ZINC001225991772 1135649729 /nfs/dbraw/zinc/64/97/29/1135649729.db2.gz JOUGYQZELXRBPE-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN Cc1cc(=O)[nH]c(OC2c3ccccc3-c3ccccc32)n1 ZINC001226155962 1135669061 /nfs/dbraw/zinc/66/90/61/1135669061.db2.gz JBBZFLBOSQGLLN-UHFFFAOYSA-N 0 1 290.322 3.639 20 0 CHADMN c1cnc2[nH]nc(O[C@@H]3CC[C@H]4CCCC[C@H]4C3)c2c1 ZINC001226301511 1135682035 /nfs/dbraw/zinc/68/20/35/1135682035.db2.gz BQHJWFODWUOGGH-FRRDWIJNSA-N 0 1 271.364 3.696 20 0 CHADMN CCC[C@H]1CCCC[C@H]1Oc1n[nH]c2ncccc12 ZINC001226306537 1135683739 /nfs/dbraw/zinc/68/37/39/1135683739.db2.gz UMSWBCVPUFZJRW-WCQYABFASA-N 0 1 259.353 3.696 20 0 CHADMN COc1cccc([C@H](C)Oc2cc(N)nc3ccccc32)c1 ZINC001226422222 1135694609 /nfs/dbraw/zinc/69/46/09/1135694609.db2.gz KVMNNTJFNDFNII-LBPRGKRZSA-N 0 1 294.354 3.966 20 0 CHADMN COc1ccc([C@@H](C)Oc2cc(N)nc3ccccc32)cc1 ZINC001226421872 1135695034 /nfs/dbraw/zinc/69/50/34/1135695034.db2.gz GBQPNNGDRNFPSF-GFCCVEGCSA-N 0 1 294.354 3.966 20 0 CHADMN Cc1ccc2nc(OC3CCC(F)(F)CC3)[nH]c2c1 ZINC001226506940 1135705863 /nfs/dbraw/zinc/70/58/63/1135705863.db2.gz UYYJEKLNKDZWJI-UHFFFAOYSA-N 0 1 266.291 3.828 20 0 CHADMN Cc1ccc2nc(O[C@H](C)COCc3ccccc3)[nH]c2c1 ZINC001226510470 1135705965 /nfs/dbraw/zinc/70/59/65/1135705965.db2.gz YRHUYYVJOFFVNU-CQSZACIVSA-N 0 1 296.370 3.855 20 0 CHADMN COc1ccc([C@H](C)Oc2nc3ccc(F)cc3[nH]2)cc1 ZINC001226701272 1135730457 /nfs/dbraw/zinc/73/04/57/1135730457.db2.gz NGOGNCFHKYFZIB-JTQLQIEISA-N 0 1 286.306 3.851 20 0 CHADMN C[C@H](Cc1ccccc1)Oc1ccc2nc[nH]c2c1 ZINC001226928257 1135761548 /nfs/dbraw/zinc/76/15/48/1135761548.db2.gz ITJFSTQDRMVVSE-GFCCVEGCSA-N 0 1 252.317 3.573 20 0 CHADMN Cc1ccccc1OC[C@@H](C)Oc1ccc2nc[nH]c2c1 ZINC001226930245 1135762609 /nfs/dbraw/zinc/76/26/09/1135762609.db2.gz QLQXPMPNLSVLAW-CYBMUJFWSA-N 0 1 282.343 3.718 20 0 CHADMN c1nc2ccc(OC3CC(OCc4ccccc4)C3)cc2[nH]1 ZINC001226929085 1135762840 /nfs/dbraw/zinc/76/28/40/1135762840.db2.gz YDMHVFHFRPXOSB-UHFFFAOYSA-N 0 1 294.354 3.690 20 0 CHADMN C[C@@H](COC(C)(C)C)Oc1nc2ccc(Cl)cc2[nH]1 ZINC001227262728 1135812156 /nfs/dbraw/zinc/81/21/56/1135812156.db2.gz VFPITHPRCTWWSJ-VIFPVBQESA-N 0 1 282.771 3.799 20 0 CHADMN C[C@H](Oc1nc2ccc(Cl)cc2[nH]1)c1ccncc1F ZINC001227265488 1135812207 /nfs/dbraw/zinc/81/22/07/1135812207.db2.gz CMEASFLVEUTKDA-QMMMGPOBSA-N 0 1 291.713 3.890 20 0 CHADMN C[C@H](Oc1nc2ccc(Cl)cc2[nH]1)c1cccnc1 ZINC001227262232 1135812779 /nfs/dbraw/zinc/81/27/79/1135812779.db2.gz KDYPLDIJKOJJIB-VIFPVBQESA-N 0 1 273.723 3.751 20 0 CHADMN CCCCOC[C@H](C)Oc1nc2ccc(Cl)cc2[nH]1 ZINC001227262553 1135812929 /nfs/dbraw/zinc/81/29/29/1135812929.db2.gz SEVMNOHVLRRYBB-JTQLQIEISA-N 0 1 282.771 3.800 20 0 CHADMN Clc1ccc2nc(O[C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1 ZINC001227262295 1135813047 /nfs/dbraw/zinc/81/30/47/1135813047.db2.gz MEMUBBNHFCOJJV-IGJMFERPSA-N 0 1 260.724 3.560 20 0 CHADMN CCC[C@@H](Oc1[nH]c(=O)nc2[nH]ccc21)c1ccccc1 ZINC001227273594 1135813654 /nfs/dbraw/zinc/81/36/54/1135813654.db2.gz JUHNZUMXUKVHBP-CYBMUJFWSA-N 0 1 283.331 3.584 20 0 CHADMN C[C@H](Oc1ncnc2nc[nH]c21)c1cc2ccccc2s1 ZINC001227530750 1135843437 /nfs/dbraw/zinc/84/34/37/1135843437.db2.gz AUUHERHMBRPEBT-VIFPVBQESA-N 0 1 296.355 3.708 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2ccccc2)c(OC)c1 ZINC000096954108 185140666 /nfs/dbraw/zinc/14/06/66/185140666.db2.gz BSHLGXARGMUVKL-AWEZNQCLSA-N 0 1 285.387 3.897 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@H](C)c1csc(C)n1 ZINC000354989073 529459420 /nfs/dbraw/zinc/45/94/20/529459420.db2.gz UZJJCWNQLALKCZ-APPZFPTMSA-N 0 1 266.332 3.833 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000353701271 529523943 /nfs/dbraw/zinc/52/39/43/529523943.db2.gz FPBPXELOFNHGDT-INIZCTEOSA-N 0 1 257.381 3.575 20 0 CHADMN CCc1ccc(CN2CC=C(C(C)(C)C)CC2)cn1 ZINC000347911179 529639608 /nfs/dbraw/zinc/63/96/08/529639608.db2.gz BTMKCUHEAXQSFS-UHFFFAOYSA-N 0 1 258.409 3.822 20 0 CHADMN CCc1ccc(CN(C)[C@H](C)c2cccc(O)c2)cn1 ZINC000347797521 529637555 /nfs/dbraw/zinc/63/75/55/529637555.db2.gz YYFXGPFZXLLJTE-CYBMUJFWSA-N 0 1 270.376 3.543 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000350464804 530011290 /nfs/dbraw/zinc/01/12/90/530011290.db2.gz XNAGAFFNCGCOLR-UHFFFAOYSA-N 0 1 296.414 3.817 20 0 CHADMN CN(Cc1ccoc1)Cc1cccc(-c2ccncc2)c1 ZINC000352649910 530012998 /nfs/dbraw/zinc/01/29/98/530012998.db2.gz RANMQWYXPCWZCC-UHFFFAOYSA-N 0 1 278.355 3.974 20 0 CHADMN CCCCCN[C@H](C)c1ncc(Br)s1 ZINC000126381293 260349780 /nfs/dbraw/zinc/34/97/80/260349780.db2.gz WYVJLPKTABZJJX-MRVPVSSYSA-N 0 1 277.231 3.746 20 0 CHADMN O[C@@H](CNCc1c(Cl)ccc(Cl)c1Cl)C1CC1 ZINC000109383616 186250893 /nfs/dbraw/zinc/25/08/93/186250893.db2.gz ZPKZTJSJMIJTBQ-NSHDSACASA-N 0 1 294.609 3.507 20 0 CHADMN Cc1ccc(CNCc2ccc3c(n2)CCCC3)c(C)c1 ZINC000444009463 370690867 /nfs/dbraw/zinc/69/08/67/370690867.db2.gz JQMKLWAWYXXOGN-UHFFFAOYSA-N 0 1 280.415 3.867 20 0 CHADMN Cc1cc(CNc2ccc3c(c2)nc(C)n3C)cs1 ZINC000574148200 334995696 /nfs/dbraw/zinc/99/56/96/334995696.db2.gz QTDCDKPQJIMMGT-UHFFFAOYSA-N 0 1 271.389 3.864 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cnn3ccccc23)C1 ZINC000574239907 335003416 /nfs/dbraw/zinc/00/34/16/335003416.db2.gz HEDTXEFPHOUUEW-HNAYVOBHSA-N 0 1 291.398 3.917 20 0 CHADMN Cc1ncsc1CN1CCC[C@H]1c1ccsc1 ZINC000153563156 261080311 /nfs/dbraw/zinc/08/03/11/261080311.db2.gz CGUBIXATHQMNMF-LBPRGKRZSA-N 0 1 264.419 3.850 20 0 CHADMN CC[C@H]1CCN(Cc2ncc(C(C)(C)C)s2)C1 ZINC000448336805 261118750 /nfs/dbraw/zinc/11/87/50/261118750.db2.gz IGSNKZWVMXMMGH-NSHDSACASA-N 0 1 252.427 3.673 20 0 CHADMN C[C@@H]1c2c(F)cccc2CCN1Cc1cccc(N)c1 ZINC000574324370 335010652 /nfs/dbraw/zinc/01/06/52/335010652.db2.gz IMVVFXISYWHFOZ-GFCCVEGCSA-N 0 1 270.351 3.527 20 0 CHADMN C[C@H]1CN(Cc2cccc3c2OC(C)(C)C3)CCC1(F)F ZINC000574368571 335013982 /nfs/dbraw/zinc/01/39/82/335013982.db2.gz MGLKBODAGSJOLE-LBPRGKRZSA-N 0 1 295.373 3.877 20 0 CHADMN Cc1cccc(CN[C@@H](c2ccccc2F)[C@H](C)O)c1C ZINC000574455496 335021123 /nfs/dbraw/zinc/02/11/23/335021123.db2.gz BNXAXXKTRAFCNG-KBXCAEBGSA-N 0 1 287.378 3.654 20 0 CHADMN Cc1ccc(CNCc2ccc(Br)cc2C)o1 ZINC000111388637 261507055 /nfs/dbraw/zinc/50/70/55/261507055.db2.gz FXVUKSLGRFVNPO-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN Fc1cc(Cl)ccc1CN1CC[C@@H](c2ccncc2)C1 ZINC000574711010 335041913 /nfs/dbraw/zinc/04/19/13/335041913.db2.gz BYPCRVFAWWXGII-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1ncc(CN2CCc3ccccc3C2(C)C)s1 ZINC000574744845 335044048 /nfs/dbraw/zinc/04/40/48/335044048.db2.gz NSGYKVXAPCIDRC-UHFFFAOYSA-N 0 1 272.417 3.745 20 0 CHADMN C[C@@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)C[C@]1(C)C(=O)[O-] ZINC000574764125 335045717 /nfs/dbraw/zinc/04/57/17/335045717.db2.gz SGGIPZOWLXZTEB-RMYJWEKJSA-N 0 1 295.467 3.882 20 0 CHADMN CC1(C)CN(Cc2nc(C3CCCC3)no2)[C@H]2CCC[C@@H]21 ZINC000574825187 335050979 /nfs/dbraw/zinc/05/09/79/335050979.db2.gz BUJNPUGZSGNDCB-KBPBESRZSA-N 0 1 289.423 3.738 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]1CCC(C)C ZINC000574883165 335055253 /nfs/dbraw/zinc/05/52/53/335055253.db2.gz BCHMDJFZRPWCDZ-CQSZACIVSA-N 0 1 293.407 3.941 20 0 CHADMN C[C@H](CCc1ccccc1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000519943701 260026392 /nfs/dbraw/zinc/02/63/92/260026392.db2.gz NWDIJQDSAQSZMC-HUUCEWRRSA-N 0 1 261.409 3.507 20 0 CHADMN Cc1nnsc1C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000575063391 335060896 /nfs/dbraw/zinc/06/08/96/335060896.db2.gz UKKZWNCNTBATRL-HNNXBMFYSA-N 0 1 287.432 3.964 20 0 CHADMN Cc1nnsc1CN1CCCCC[C@H]1c1ccccc1 ZINC000575063391 335060897 /nfs/dbraw/zinc/06/08/97/335060897.db2.gz UKKZWNCNTBATRL-HNNXBMFYSA-N 0 1 287.432 3.964 20 0 CHADMN COCc1ccccc1/C=C(\C)CN(C)Cc1ccoc1 ZINC000350661264 533254165 /nfs/dbraw/zinc/25/41/65/533254165.db2.gz OXFMFRCVHFDHEZ-XNTDXEJSSA-N 0 1 285.387 3.961 20 0 CHADMN CCn1c2cccc(F)c2nc1CN(C(C)C)C1CC1 ZINC000171376192 335063772 /nfs/dbraw/zinc/06/37/72/335063772.db2.gz BKAHWNVNVAAEPZ-UHFFFAOYSA-N 0 1 275.371 3.568 20 0 CHADMN COc1ccc2nc(CNCc3ccccc3)sc2c1 ZINC000353757166 533347748 /nfs/dbraw/zinc/34/77/48/533347748.db2.gz HOUQIYQVOLFVRY-UHFFFAOYSA-N 0 1 284.384 3.595 20 0 CHADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCCC2(CC2)C1 ZINC000352267993 533320721 /nfs/dbraw/zinc/32/07/21/533320721.db2.gz XDZMZQRYHPAELD-LBPRGKRZSA-N 0 1 292.810 3.543 20 0 CHADMN C[C@@H](NCc1cccc(F)c1F)c1ccc2n[nH]cc2c1 ZINC000353109390 533454523 /nfs/dbraw/zinc/45/45/23/533454523.db2.gz JSZBCPBUYDXFBK-SNVBAGLBSA-N 0 1 287.313 3.692 20 0 CHADMN COc1cccc(C2=CCN(Cc3ccc(C)o3)CC2)c1 ZINC000352946022 533439592 /nfs/dbraw/zinc/43/95/92/533439592.db2.gz LNDDNSARSBCVOG-UHFFFAOYSA-N 0 1 283.371 3.886 20 0 CHADMN C[C@@H](NCc1ccoc1)c1nccc2ccccc21 ZINC000353413058 533464669 /nfs/dbraw/zinc/46/46/69/533464669.db2.gz OCFMDMATIQVFQB-GFCCVEGCSA-N 0 1 252.317 3.679 20 0 CHADMN C[C@@H](NCc1cncs1)c1cc2cccc(F)c2o1 ZINC000353236079 533467117 /nfs/dbraw/zinc/46/71/17/533467117.db2.gz KSXIZUWYSUIWHB-SECBINFHSA-N 0 1 276.336 3.879 20 0 CHADMN C[C@@H](N[C@@H]1COc2ccc(F)cc21)c1cccs1 ZINC000336049036 533529151 /nfs/dbraw/zinc/52/91/51/533529151.db2.gz FKWQFGQBWDLCBI-BXKDBHETSA-N 0 1 263.337 3.672 20 0 CHADMN COc1ccc(CN2Cc3ccccc3C[C@H]2C)cc1OC ZINC000353665256 533574607 /nfs/dbraw/zinc/57/46/07/533574607.db2.gz JWYYKHYARQFZNS-CQSZACIVSA-N 0 1 297.398 3.651 20 0 CHADMN Cc1cc(CN2CCOC[C@H]2CC(C)C)c(C)s1 ZINC000353614954 533617877 /nfs/dbraw/zinc/61/78/77/533617877.db2.gz UYZLWDNFZHKHAZ-OAHLLOKOSA-N 0 1 267.438 3.612 20 0 CHADMN Clc1cccc2c1CC[C@@H]2NCc1cn2ccccc2n1 ZINC000171380164 335064029 /nfs/dbraw/zinc/06/40/29/335064029.db2.gz DQCUXKCMIXDVPX-INIZCTEOSA-N 0 1 297.789 3.765 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2Cc3ccccc3[C@@H]2C)c1 ZINC000341647199 129958348 /nfs/dbraw/zinc/95/83/48/129958348.db2.gz PINXGAQHXSQWSR-LBPRGKRZSA-N 0 1 291.354 3.588 20 0 CHADMN Cc1cnn(CCN(C)[C@@H](C)c2ccccc2Cl)c1 ZINC000341833073 130064125 /nfs/dbraw/zinc/06/41/25/130064125.db2.gz NYETYFUWTKDQHQ-ZDUSSCGKSA-N 0 1 277.799 3.538 20 0 CHADMN CCC1CCC(N(Cc2nccn2CC)C2CC2)CC1 ZINC000341807435 130069257 /nfs/dbraw/zinc/06/92/57/130069257.db2.gz JLQWRHVAYAJVLC-UHFFFAOYSA-N 0 1 275.440 3.836 20 0 CHADMN Fc1cc(CN2CCC[C@H]2[C@H]2CCCO2)ccc1Cl ZINC000342055912 130225082 /nfs/dbraw/zinc/22/50/82/130225082.db2.gz ZDMGXZVLEZVWJY-LSDHHAIUSA-N 0 1 283.774 3.623 20 0 CHADMN Cc1noc(CN(CC(C)C)[C@H](C)c2ccccc2C)n1 ZINC000342055992 130226470 /nfs/dbraw/zinc/22/64/70/130226470.db2.gz ZXKYHFVDXCQCEW-CQSZACIVSA-N 0 1 287.407 3.906 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000342073316 130237454 /nfs/dbraw/zinc/23/74/54/130237454.db2.gz OYCFSVOZMJEAFU-TXEJJXNPSA-N 0 1 270.376 3.532 20 0 CHADMN CC(C)C[C@H](N)c1noc(CC2CCCCCC2)n1 ZINC000342031207 130247961 /nfs/dbraw/zinc/24/79/61/130247961.db2.gz WHXNBOXONRYPKO-ZDUSSCGKSA-N 0 1 265.401 3.628 20 0 CHADMN CCOc1cc(CN[C@@H](C)CF)ccc1OCC(C)C ZINC000342196478 130331212 /nfs/dbraw/zinc/33/12/12/130331212.db2.gz GBIHELQOOCORLV-ZDUSSCGKSA-N 0 1 283.387 3.568 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N1CCC(C(F)F)CC1 ZINC000334198535 130599134 /nfs/dbraw/zinc/59/91/34/130599134.db2.gz MAWYEGWYKGERLF-SNVBAGLBSA-N 0 1 280.318 3.866 20 0 CHADMN Cc1ncc([C@@H](C)Nc2cc3c(cn2)CCCC3)c(C)n1 ZINC000575104407 335065542 /nfs/dbraw/zinc/06/55/42/335065542.db2.gz XDAWFOHQJNRFFP-GFCCVEGCSA-N 0 1 282.391 3.540 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C3(CC(C)C)CC3)ccc12 ZINC000442892242 533672460 /nfs/dbraw/zinc/67/24/60/533672460.db2.gz OZQDQVLQEXCGLD-UHFFFAOYSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H]3CCc4ccccc43)ccc12 ZINC000354998048 533672973 /nfs/dbraw/zinc/67/29/73/533672973.db2.gz VJSQCXTUFJQOLE-INIZCTEOSA-N 0 1 291.354 3.540 20 0 CHADMN CCCc1ccc(NS(=O)(=O)c2ccccc2F)cc1 ZINC000007055783 170264712 /nfs/dbraw/zinc/26/47/12/170264712.db2.gz VCWQTHPTFAPETE-UHFFFAOYSA-N 0 1 293.363 3.579 20 0 CHADMN Cc1ccc(NC(=O)CN2[C@@H](C)CCC[C@@H]2C)cc1C ZINC000009997871 170394423 /nfs/dbraw/zinc/39/44/23/170394423.db2.gz JOVAUKKLMHIUGH-GJZGRUSLSA-N 0 1 274.408 3.505 20 0 CHADMN Cc1ccc(F)cc1NC(=O)c1ccc(O)c(Cl)c1 ZINC000019839821 170888795 /nfs/dbraw/zinc/88/87/95/170888795.db2.gz XTBHLTZMTQWBLP-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)OCO2)c1ccc(F)cc1F ZINC000020124432 171007230 /nfs/dbraw/zinc/00/72/30/171007230.db2.gz PYKFABKHJVPTJP-SNVBAGLBSA-N 0 1 291.297 3.544 20 0 CHADMN C[C@@H](NCc1cc2ccccc2o1)c1cccnc1 ZINC000020127937 171013654 /nfs/dbraw/zinc/01/36/54/171013654.db2.gz QWXMTVXKTZUPAO-GFCCVEGCSA-N 0 1 252.317 3.679 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)c(F)c1)c1cccnc1 ZINC000020127742 171013738 /nfs/dbraw/zinc/01/37/38/171013738.db2.gz BGUZDIPVFIYRCB-QWRGUYRKSA-N 0 1 262.303 3.772 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccccc2Cl)cn1 ZINC000020186151 171049914 /nfs/dbraw/zinc/04/99/14/171049914.db2.gz QMXDINBUYXAIKN-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN Cc1cc(CNCc2ccccc2Cl)cc(C)c1O ZINC000020305192 171141999 /nfs/dbraw/zinc/14/19/99/171141999.db2.gz WMXNLOFLLFOAFY-UHFFFAOYSA-N 0 1 275.779 3.952 20 0 CHADMN CC1(C)CC[C@H](NCc2ccccn2)c2ccccc21 ZINC000034963770 171906846 /nfs/dbraw/zinc/90/68/46/171906846.db2.gz YDJBIPXURBYRRX-KRWDZBQOSA-N 0 1 266.388 3.984 20 0 CHADMN Fc1cccc(CN[C@@H]2CCc3ccccc32)c1F ZINC000035224439 172068626 /nfs/dbraw/zinc/06/86/26/172068626.db2.gz ZUFWPAJUKSNDCU-OAHLLOKOSA-N 0 1 259.299 3.742 20 0 CHADMN CSc1ccc([C@@H](C)NCc2c(C)noc2C)cc1 ZINC000035256548 172087129 /nfs/dbraw/zinc/08/71/29/172087129.db2.gz BMZYHXNKIYSAJC-SNVBAGLBSA-N 0 1 276.405 3.864 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccco2)cc1F ZINC000035738719 172392479 /nfs/dbraw/zinc/39/24/79/172392479.db2.gz KXZJXQGKWXSHLI-GHMZBOCLSA-N 0 1 263.312 3.839 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc2c(c1)CCO2)c1ccco1 ZINC000037260486 173070962 /nfs/dbraw/zinc/07/09/62/173070962.db2.gz HGTRWRADPVVZCX-VXGBXAGGSA-N 0 1 257.333 3.626 20 0 CHADMN Oc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000037442056 173211474 /nfs/dbraw/zinc/21/14/74/173211474.db2.gz SVFKAMFTYKXDLW-UHFFFAOYSA-N 0 1 289.132 3.698 20 0 CHADMN CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000038027522 174013824 /nfs/dbraw/zinc/01/38/24/174013824.db2.gz UFDSJJIQKOKACI-MRXNPFEDSA-N 0 1 289.419 3.813 20 0 CHADMN C[C@H]1CCCN(Cc2cc(Br)cs2)C1 ZINC000043686939 175094528 /nfs/dbraw/zinc/09/45/28/175094528.db2.gz OTKHUOSVCGYOIV-VIFPVBQESA-N 0 1 274.227 3.743 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cc3ccccc3s2)[C@H]1C(=O)[O-] ZINC000334578575 224943848 /nfs/dbraw/zinc/94/38/48/224943848.db2.gz KLWKCVUVTRZOEU-XHDPSFHLSA-N 0 1 289.400 3.586 20 0 CHADMN Cc1nocc1CN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000352869651 227378995 /nfs/dbraw/zinc/37/89/95/227378995.db2.gz XNDGAWIOBHGFPQ-OAGJVSPASA-N 0 1 268.360 3.661 20 0 CHADMN Cn1ccnc1CN[C@H](Cc1ccccc1)c1cccs1 ZINC000344337056 225033630 /nfs/dbraw/zinc/03/36/30/225033630.db2.gz CHRIMPARIMZERX-OAHLLOKOSA-N 0 1 297.427 3.555 20 0 CHADMN CO[C@@H](CNCc1nc(C)cs1)c1ccc(Cl)cc1 ZINC000344745187 225148642 /nfs/dbraw/zinc/14/86/42/225148642.db2.gz WIEJWKWPQBTBTI-ZDUSSCGKSA-N 0 1 296.823 3.582 20 0 CHADMN Cc1nc(C(C)C)oc1C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000344535840 225082187 /nfs/dbraw/zinc/08/21/87/225082187.db2.gz QCDYAYZGFAIFNL-UHFFFAOYSA-N 0 1 298.346 3.543 20 0 CHADMN Cc1scc(C(=O)Nc2nc3ccc(C)cc3[nH]2)c1C ZINC000344516474 225089905 /nfs/dbraw/zinc/08/99/05/225089905.db2.gz DAVCMJQZRIZEKR-UHFFFAOYSA-N 0 1 285.372 3.802 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2cncc(F)c2)c1 ZINC000344721922 225141988 /nfs/dbraw/zinc/14/19/88/225141988.db2.gz PMGIBPSKBWIRCK-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2cncc(F)c2)c1 ZINC000344721922 225141994 /nfs/dbraw/zinc/14/19/94/225141994.db2.gz PMGIBPSKBWIRCK-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](c3ccccc3C)C2)cn1 ZINC000334709025 225283154 /nfs/dbraw/zinc/28/31/54/225283154.db2.gz UDEUBIIGQXDQBH-HZPDHXFCSA-N 0 1 281.403 3.644 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC3(CCCC3)C2)cc1 ZINC000334713728 225284108 /nfs/dbraw/zinc/28/41/08/225284108.db2.gz APEUWALJHWDJJC-UHFFFAOYSA-N 0 1 273.376 3.541 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@@H]2CCCc3c(O)cccc32)c1 ZINC000334760499 225311632 /nfs/dbraw/zinc/31/16/32/225311632.db2.gz LPFMKSSXTRVLTC-CZUORRHYSA-N 0 1 282.387 3.824 20 0 CHADMN FC1(F)CC(c2noc([C@@H]3CCCN3C3CCCC3)n2)C1 ZINC000334913181 225363307 /nfs/dbraw/zinc/36/33/07/225363307.db2.gz XAPMQQOIOVDXCD-LBPRGKRZSA-N 0 1 297.349 3.662 20 0 CHADMN COc1cc([C@H](C)NCc2ccc(Cl)c(F)c2)ccn1 ZINC000347535194 226185243 /nfs/dbraw/zinc/18/52/43/226185243.db2.gz GRTHOTQBYSDCGN-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN CCc1oc2ccccc2c1CN1C[C@H](C)O[C@@H](C)C1 ZINC000347636347 226207311 /nfs/dbraw/zinc/20/73/11/226207311.db2.gz ZNCVPPONCSRKQX-STQMWFEESA-N 0 1 273.376 3.604 20 0 CHADMN CCN(Cc1cnn(C)c1)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000171654477 335073406 /nfs/dbraw/zinc/07/34/06/335073406.db2.gz PXVHXVFKBISWCX-NSHDSACASA-N 0 1 295.789 3.796 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000575188220 335077812 /nfs/dbraw/zinc/07/78/12/335077812.db2.gz OXEAETUHMRHQMH-CQSZACIVSA-N 0 1 299.370 3.530 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@H](Cc3ccccc3)[C@H]2C)o1 ZINC000350480232 227021570 /nfs/dbraw/zinc/02/15/70/227021570.db2.gz PYKWLVBPPAESFZ-IJEWVQPXSA-N 0 1 299.418 3.646 20 0 CHADMN O=C(CCCC1CCCC1)Nc1ccc2nc[nH]c2c1 ZINC000352627583 227119121 /nfs/dbraw/zinc/11/91/21/227119121.db2.gz WFZWMYZEZRQVQV-UHFFFAOYSA-N 0 1 271.364 3.862 20 0 CHADMN Clc1ccc([C@@H]2CCN2CCc2cccnc2)cc1 ZINC000352666984 227151802 /nfs/dbraw/zinc/15/18/02/227151802.db2.gz IWNVOYXJMYQSBX-INIZCTEOSA-N 0 1 272.779 3.725 20 0 CHADMN c1cc(CN(Cc2ccccc2)C[C@@H]2CCCO2)cs1 ZINC000352675003 227154918 /nfs/dbraw/zinc/15/49/18/227154918.db2.gz CLNSYQSLCXLNBZ-KRWDZBQOSA-N 0 1 287.428 3.929 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN(C[C@H]2CC[C@@H](C)O2)C2CC2)o1 ZINC000354873684 227189417 /nfs/dbraw/zinc/18/94/17/227189417.db2.gz DGCZBMDAWDBJEZ-SHFYGJNESA-N 0 1 289.419 3.935 20 0 CHADMN Cc1oc2ccccc2c1CN1C[C@H](C)OC(C)(C)C1 ZINC000352740848 227195260 /nfs/dbraw/zinc/19/52/60/227195260.db2.gz AUCYYKDYWLLMHP-LBPRGKRZSA-N 0 1 273.376 3.741 20 0 CHADMN Cc1cccc2nc(CNc3nc4ccccc4o3)[nH]c21 ZINC000301850877 227707894 /nfs/dbraw/zinc/70/78/94/227707894.db2.gz AHIWYFIHFHSGGW-UHFFFAOYSA-N 0 1 278.315 3.625 20 0 CHADMN C[C@H](Nc1ccc2nn[nH]c2c1)C1CCC(F)(F)CC1 ZINC000329971423 228002573 /nfs/dbraw/zinc/00/25/73/228002573.db2.gz VOSSPBSFQZFBHG-VIFPVBQESA-N 0 1 280.322 3.584 20 0 CHADMN C[C@H](Nc1ccc2n[nH]nc2c1)C1CCC(F)(F)CC1 ZINC000329971423 228002576 /nfs/dbraw/zinc/00/25/76/228002576.db2.gz VOSSPBSFQZFBHG-VIFPVBQESA-N 0 1 280.322 3.584 20 0 CHADMN Clc1ccc(CN2CCC(OC3CCC3)CC2)cc1 ZINC000418105242 228053415 /nfs/dbraw/zinc/05/34/15/228053415.db2.gz XVXVLXQZXBOJDO-UHFFFAOYSA-N 0 1 279.811 3.874 20 0 CHADMN c1nc2c(n1-c1ccccc1)CCN(C[C@H]1CC=CCC1)C2 ZINC000353176948 228066664 /nfs/dbraw/zinc/06/66/64/228066664.db2.gz WZQZEJVXWCXCFN-INIZCTEOSA-N 0 1 293.414 3.587 20 0 CHADMN CCn1nccc1CN[C@H](C)c1cc2cccc(F)c2o1 ZINC000353227588 228072019 /nfs/dbraw/zinc/07/20/19/228072019.db2.gz BHEWKJFYNDPYNA-LLVKDONJSA-N 0 1 287.338 3.639 20 0 CHADMN Cc1cc([C@H](C)NC[C@@H]2SCCc3ccccc32)no1 ZINC000353259827 228075408 /nfs/dbraw/zinc/07/54/08/228075408.db2.gz FBEFQAYLUOXHRD-LRDDRELGSA-N 0 1 288.416 3.664 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1ccc2cc[nH]c2n1 ZINC000353631414 228135632 /nfs/dbraw/zinc/13/56/32/228135632.db2.gz QCSXVHCFPSXCCH-ZDUSSCGKSA-N 0 1 295.386 3.812 20 0 CHADMN COCc1nc(CN[C@@H](C)CCCC(F)(F)F)cs1 ZINC000353654051 228140232 /nfs/dbraw/zinc/14/02/32/228140232.db2.gz ZPDSQNJOJYNLRU-VIFPVBQESA-N 0 1 296.358 3.500 20 0 CHADMN Fc1cccc(N2CCCC2)c1CN1CCC12CCC2 ZINC000353664651 228141456 /nfs/dbraw/zinc/14/14/56/228141456.db2.gz HTVZKCVBVVCLAI-UHFFFAOYSA-N 0 1 274.383 3.554 20 0 CHADMN Cc1ncsc1CN1Cc2ccccc2C(C)(C)C1 ZINC000353684801 228144771 /nfs/dbraw/zinc/14/47/71/228144771.db2.gz HLEBZWZNGKSEPU-UHFFFAOYSA-N 0 1 272.417 3.745 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000353798113 228154021 /nfs/dbraw/zinc/15/40/21/228154021.db2.gz UFKSAPVCSRQXJB-BIIVOSGPSA-N 0 1 264.316 3.611 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN1CCSC(C)(C)C1 ZINC000353884799 228162710 /nfs/dbraw/zinc/16/27/10/228162710.db2.gz XTIGNBHCMMWKSF-UHFFFAOYSA-N 0 1 295.496 3.582 20 0 CHADMN Fc1cc(CN2CCCC3(CC3)C2)ccc1Cl ZINC000351940561 228167859 /nfs/dbraw/zinc/16/78/59/228167859.db2.gz FRTVSNPTHRXXNK-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN OC[C@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccsc1 ZINC000351978830 228171107 /nfs/dbraw/zinc/17/11/07/228171107.db2.gz AVIVHMHFYZYYIK-CABCVRRESA-N 0 1 293.819 3.712 20 0 CHADMN FC(F)(F)c1ccccc1CN1CCOCC2(CCC2)C1 ZINC000351987356 228171154 /nfs/dbraw/zinc/17/11/54/228171154.db2.gz ULGCERZQJCBKIU-UHFFFAOYSA-N 0 1 299.336 3.708 20 0 CHADMN Cc1ccccc1[C@H]1CC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000352005109 228173899 /nfs/dbraw/zinc/17/38/99/228173899.db2.gz XXOHMZWJPLFTBK-HNNXBMFYSA-N 0 1 285.362 3.829 20 0 CHADMN Fc1cccc(F)c1C1=CCN(C[C@@H]2CCCCO2)CC1 ZINC000352021924 228174342 /nfs/dbraw/zinc/17/43/42/228174342.db2.gz NASOMRCPCMOVJM-AWEZNQCLSA-N 0 1 293.357 3.623 20 0 CHADMN FC1(F)CCC12CN(Cc1cc3ccccc3o1)C2 ZINC000336018046 228178033 /nfs/dbraw/zinc/17/80/33/228178033.db2.gz WRHKFBJMWPVVJC-UHFFFAOYSA-N 0 1 263.287 3.664 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@@H](C)C3(CCCCC3)C2)o1 ZINC000336029498 228179572 /nfs/dbraw/zinc/17/95/72/228179572.db2.gz CKNXPQQMQXGBNN-CHWSQXEVSA-N 0 1 277.412 3.731 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2cc(C)sc2C)on1 ZINC000352096787 228182214 /nfs/dbraw/zinc/18/22/14/228182214.db2.gz KAJQZNLAXCBNEC-AWEZNQCLSA-N 0 1 276.405 3.998 20 0 CHADMN Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2C)on1 ZINC000352097329 228182528 /nfs/dbraw/zinc/18/25/28/228182528.db2.gz RGWQCKDOCZUEDT-OAHLLOKOSA-N 0 1 274.339 3.768 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2ccc(F)cc2C)on1 ZINC000352097329 228182529 /nfs/dbraw/zinc/18/25/29/228182529.db2.gz RGWQCKDOCZUEDT-OAHLLOKOSA-N 0 1 274.339 3.768 20 0 CHADMN Cc1ncc(CN2CCC[C@@H](C(F)(F)F)[C@@H]2C)s1 ZINC000336083311 228185196 /nfs/dbraw/zinc/18/51/96/228185196.db2.gz LHTDROZHAHORTB-GZMMTYOYSA-N 0 1 278.343 3.614 20 0 CHADMN Cc1nnsc1CN[C@H]1CCCc2c(C)ccc(C)c21 ZINC000336106724 228187635 /nfs/dbraw/zinc/18/76/35/228187635.db2.gz ISEJVSXGYYXGQQ-AWEZNQCLSA-N 0 1 287.432 3.631 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccc(F)cn1)[C@H](C)C2 ZINC000336175404 228203692 /nfs/dbraw/zinc/20/36/92/228203692.db2.gz URPABAQIBWOSSS-PXAZEXFGSA-N 0 1 270.351 3.552 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccc(F)cn1)[C@@H](C)C2 ZINC000336175405 228203723 /nfs/dbraw/zinc/20/37/23/228203723.db2.gz URPABAQIBWOSSS-SJCJKPOMSA-N 0 1 270.351 3.552 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCCC2(CC2)C1 ZINC000352274465 228212283 /nfs/dbraw/zinc/21/22/83/228212283.db2.gz MEUNOIGRFNNYQS-LLVKDONJSA-N 0 1 251.320 3.902 20 0 CHADMN Cc1c([C@H](C)N[C@@H](C)c2ccc(F)c(Cl)c2)cnn1C ZINC000037167404 260071863 /nfs/dbraw/zinc/07/18/63/260071863.db2.gz WOFZYYPPQDJFSG-UWVGGRQHSA-N 0 1 295.789 3.933 20 0 CHADMN c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000179816734 260074375 /nfs/dbraw/zinc/07/43/75/260074375.db2.gz YFPJPBDZGXMFLQ-KRWDZBQOSA-N 0 1 281.403 3.841 20 0 CHADMN c1csc(CN(Cc2cnn3ccccc23)C2CC2)c1 ZINC000180035530 260090358 /nfs/dbraw/zinc/09/03/58/260090358.db2.gz AJJQAOCAOPMORR-UHFFFAOYSA-N 0 1 283.400 3.560 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2ccccc2OC(F)F)s1 ZINC000037505517 260113896 /nfs/dbraw/zinc/11/38/96/260113896.db2.gz SWBMHBKQPBYEMF-VIFPVBQESA-N 0 1 298.358 3.904 20 0 CHADMN COc1cccc([C@H](C)NCc2cc(F)ccc2F)c1 ZINC000037771585 260116251 /nfs/dbraw/zinc/11/62/51/260116251.db2.gz HYIXZJFOERJIHA-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN Cc1n[nH]cc1CNC(c1cccs1)c1cccs1 ZINC000038011514 260123561 /nfs/dbraw/zinc/12/35/61/260123561.db2.gz UHWPCDOWHZLRIP-UHFFFAOYSA-N 0 1 289.429 3.720 20 0 CHADMN c1nn2ccccc2c1CN[C@@H]1CCSc2ccccc21 ZINC000071373028 260161602 /nfs/dbraw/zinc/16/16/02/260161602.db2.gz KUWXGDTXJLQYMZ-OAHLLOKOSA-N 0 1 295.411 3.661 20 0 CHADMN CCCCOc1ccc(CN[C@@H](CO)c2ccccc2)cc1 ZINC000076943325 260166578 /nfs/dbraw/zinc/16/65/78/260166578.db2.gz CRFAOFYRCMSTRK-IBGZPJMESA-N 0 1 299.414 3.689 20 0 CHADMN CC(C)[C@@H](NCc1ccc(CO)o1)c1ccc(Cl)cc1 ZINC000077897826 260167341 /nfs/dbraw/zinc/16/73/41/260167341.db2.gz YFRMOXGBEFHXJW-MRXNPFEDSA-N 0 1 293.794 3.912 20 0 CHADMN OC1(CN[C@@H](c2ccco2)c2ccccc2)CCCCC1 ZINC000078514217 260167538 /nfs/dbraw/zinc/16/75/38/260167538.db2.gz USPGADPPVOFHHM-QGZVFWFLSA-N 0 1 285.387 3.654 20 0 CHADMN CCOC(C)(C)CNCc1csc(Cl)c1Cl ZINC000309464414 260170034 /nfs/dbraw/zinc/17/00/34/260170034.db2.gz OVWVDPPCARDKQD-UHFFFAOYSA-N 0 1 282.236 3.960 20 0 CHADMN CC(C)(C)c1cnc(CNCC2(O)CCCCCC2)s1 ZINC000447942345 260176067 /nfs/dbraw/zinc/17/60/67/260176067.db2.gz HQKZFIGZYSZNSS-UHFFFAOYSA-N 0 1 296.480 3.616 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(Cl)s1)c1cnn(C)c1 ZINC000044496909 260190201 /nfs/dbraw/zinc/19/02/01/260190201.db2.gz ITDQFAZWTKITFJ-IUCAKERBSA-N 0 1 269.801 3.547 20 0 CHADMN C[C@H]1CC[C@@H](CNCc2cc(Cl)sc2Cl)O1 ZINC000312769812 260200133 /nfs/dbraw/zinc/20/01/33/260200133.db2.gz QCDHWTQEFCUMEL-CBAPKCEASA-N 0 1 280.220 3.712 20 0 CHADMN CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809589 260209895 /nfs/dbraw/zinc/20/98/95/260209895.db2.gz QIPHBTLDERFNEZ-CZUORRHYSA-N 0 1 293.382 3.854 20 0 CHADMN Cc1cc(CNCc2ccco2)sc1Br ZINC000087018191 260211752 /nfs/dbraw/zinc/21/17/52/260211752.db2.gz RVYLNFVJWOQWHC-UHFFFAOYSA-N 0 1 286.194 3.702 20 0 CHADMN CCCCN(C)Cc1cc(OC)ccc1Br ZINC000087797788 260227849 /nfs/dbraw/zinc/22/78/49/260227849.db2.gz QVMBJGJWOFRWPG-UHFFFAOYSA-N 0 1 286.213 3.690 20 0 CHADMN COc1cc(C)nc(CN[C@@H](C)c2cccc(C)c2)c1 ZINC000214078327 260228467 /nfs/dbraw/zinc/22/84/67/260228467.db2.gz VRCWDPYPNREUHX-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN COC[C@H](N[C@@H](C)c1ccc(OC)cc1)c1ccccc1 ZINC000089668800 260237745 /nfs/dbraw/zinc/23/77/45/260237745.db2.gz GHPMALAPZPOJQH-KSSFIOAISA-N 0 1 285.387 3.734 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1ccc(F)cc1F)CC2 ZINC000092837126 260272515 /nfs/dbraw/zinc/27/25/15/260272515.db2.gz NWLIKVJUNKJMJJ-KRWDZBQOSA-N 0 1 289.325 3.751 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@H]2CCc3c2cccc3O)s1 ZINC000040518163 260290153 /nfs/dbraw/zinc/29/01/53/260290153.db2.gz PKJXBNJBIASEIL-HZMBPMFUSA-N 0 1 288.416 3.804 20 0 CHADMN Cc1cnc([C@H](C)NC[C@H](C)c2cc(F)cc(F)c2)o1 ZINC000449224122 260298763 /nfs/dbraw/zinc/29/87/63/260298763.db2.gz HKIGUZLAJGSLID-ONGXEEELSA-N 0 1 280.318 3.716 20 0 CHADMN CC[C@H](N[C@@H](C)c1nc(C(C)(C)C)no1)C(C)(C)C ZINC000517964921 260327829 /nfs/dbraw/zinc/32/78/29/260327829.db2.gz BCJAWLWWGLYRGH-QWRGUYRKSA-N 0 1 267.417 3.842 20 0 CHADMN CCCOc1ccc(CN[C@@H](C)c2cncnc2C)c(C)c1 ZINC000518215182 260358248 /nfs/dbraw/zinc/35/82/48/260358248.db2.gz OJKPMEYHUHRBMC-AWEZNQCLSA-N 0 1 299.418 3.733 20 0 CHADMN Cc1nc(CSc2n[nH]c(CCC3CCCC3)n2)co1 ZINC000521069559 260378789 /nfs/dbraw/zinc/37/87/89/260378789.db2.gz NAATUEDJCGKGQY-UHFFFAOYSA-N 0 1 292.408 3.516 20 0 CHADMN Cc1nc(CSc2nc(CCC3CCCC3)n[nH]2)co1 ZINC000521069559 260378790 /nfs/dbraw/zinc/37/87/90/260378790.db2.gz NAATUEDJCGKGQY-UHFFFAOYSA-N 0 1 292.408 3.516 20 0 CHADMN C[C@@H](CN[C@@H](C)c1nccs1)Oc1cccc(Cl)c1 ZINC000090115856 260455855 /nfs/dbraw/zinc/45/58/55/260455855.db2.gz GIAARLVREZUKJG-QWRGUYRKSA-N 0 1 296.823 3.915 20 0 CHADMN c1onc(Cc2ccccc2)c1CNCC1=CCCCC1 ZINC000449378135 260467205 /nfs/dbraw/zinc/46/72/05/260467205.db2.gz VWDPWKLSFPUYMA-UHFFFAOYSA-N 0 1 282.387 3.855 20 0 CHADMN C/C=C/C=C/C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000092406295 260493551 /nfs/dbraw/zinc/49/35/51/260493551.db2.gz NMOLLWBMOZXZMG-UMCKCUICSA-N 0 1 284.403 3.729 20 0 CHADMN C[C@@H](NCCSCc1ccccc1F)c1nccs1 ZINC000093369913 260516694 /nfs/dbraw/zinc/51/66/94/260516694.db2.gz MQCQGAJYKVSNDA-LLVKDONJSA-N 0 1 296.436 3.866 20 0 CHADMN Cc1ccc(C)c(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000050925724 260770483 /nfs/dbraw/zinc/77/04/83/260770483.db2.gz PGADXHXISYIUCM-MRXNPFEDSA-N 0 1 275.392 3.523 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC(C)(C3CC3)CC2)[nH]1 ZINC000427575153 260772540 /nfs/dbraw/zinc/77/25/40/260772540.db2.gz RDROJRUCBOFKHH-UHFFFAOYSA-N 0 1 297.402 3.524 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CC[C@@H]3C(C)C)n[nH]2)c(C)c1 ZINC000428017478 260908719 /nfs/dbraw/zinc/90/87/19/260908719.db2.gz NAMZQONDEPVOOS-QGZVFWFLSA-N 0 1 297.402 3.564 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccccc2-n2ccnc2)o1 ZINC000152271175 261062044 /nfs/dbraw/zinc/06/20/44/261062044.db2.gz DURRXYVUHXGGJG-AWEZNQCLSA-N 0 1 295.386 3.879 20 0 CHADMN C[C@H](N[C@@H]1CCOc2c(Cl)cccc21)c1ccncc1 ZINC000152500582 261064920 /nfs/dbraw/zinc/06/49/20/261064920.db2.gz DSKCIBHZYFQHLA-XHDPSFHLSA-N 0 1 288.778 3.909 20 0 CHADMN CC[C@@](C)(NCc1ccc(C)s1)c1nccs1 ZINC000152651587 261067284 /nfs/dbraw/zinc/06/72/84/261067284.db2.gz CFSXCMCDQQYHKL-CYBMUJFWSA-N 0 1 266.435 3.928 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccc(Cl)cc2)c(C)n1 ZINC000152912540 261071214 /nfs/dbraw/zinc/07/12/14/261071214.db2.gz PZVBSCKHMNUWOQ-SNVBAGLBSA-N 0 1 275.783 3.598 20 0 CHADMN C[C@H](NC[C@@H]1CCCO1)c1nc(-c2ccccc2)cs1 ZINC000153143067 261074263 /nfs/dbraw/zinc/07/42/63/261074263.db2.gz SMNRIPBFZWQFSO-JSGCOSHPSA-N 0 1 288.416 3.640 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2ccncc2F)cc1 ZINC000449008580 261082917 /nfs/dbraw/zinc/08/29/17/261082917.db2.gz KADRVUHIKGCGHT-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2ccncc2F)C1 ZINC000449030122 261113037 /nfs/dbraw/zinc/11/30/37/261113037.db2.gz QQNINXLSFBNNKD-HNNXBMFYSA-N 0 1 250.361 3.623 20 0 CHADMN Cc1cc(CN2CCO[C@@H](C(C)(C)C)C2)cc2cccnc12 ZINC000448361156 261126264 /nfs/dbraw/zinc/12/62/64/261126264.db2.gz VZHHGLGBMCILLM-QGZVFWFLSA-N 0 1 298.430 3.790 20 0 CHADMN COc1cc(CN(C)[C@H](C)c2ccccc2F)ccc1O ZINC000156845694 261134093 /nfs/dbraw/zinc/13/40/93/261134093.db2.gz SLUYCIPPDVUJDN-GFCCVEGCSA-N 0 1 289.350 3.733 20 0 CHADMN Cc1nc(CN[C@H](C)[C@H](C)c2ccccc2)oc1C ZINC000157135581 261140814 /nfs/dbraw/zinc/14/08/14/261140814.db2.gz ZCRZNEMDJCYCCD-NWDGAFQWSA-N 0 1 258.365 3.573 20 0 CHADMN Cc1cccc(NC[C@H]2CCCO[C@H]2c2ccccc2)n1 ZINC000157237001 261142774 /nfs/dbraw/zinc/14/27/74/261142774.db2.gz JXYTYFIAWXLEPN-AEFFLSMTSA-N 0 1 282.387 3.970 20 0 CHADMN Cc1cccc(NC[C@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC000157236697 261143130 /nfs/dbraw/zinc/14/31/30/261143130.db2.gz JXYTYFIAWXLEPN-SJLPKXTDSA-N 0 1 282.387 3.970 20 0 CHADMN CC(C)n1ccc(CN2CCC[C@H]3CCCC[C@@H]32)n1 ZINC000172334424 261154007 /nfs/dbraw/zinc/15/40/07/261154007.db2.gz BWOQOAPGBODSCG-ZBFHGGJFSA-N 0 1 261.413 3.619 20 0 CHADMN CC[C@@H](NCc1cccc(OC)n1)c1cccc(Cl)c1 ZINC000173389080 261162585 /nfs/dbraw/zinc/16/25/85/261162585.db2.gz PKMCULGCZNYVFE-OAHLLOKOSA-N 0 1 290.794 3.985 20 0 CHADMN CO[C@H](C)[C@@H](C)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000361214935 261176553 /nfs/dbraw/zinc/17/65/53/261176553.db2.gz HGEILAKYEMCTMX-OUAUKWLOSA-N 0 1 270.442 3.515 20 0 CHADMN CCS[C@H]1CC[C@@H](N(C)Cc2ccn(C(C)C)n2)C1 ZINC000174343444 261183422 /nfs/dbraw/zinc/18/34/22/261183422.db2.gz FEFCMDRBCSVELU-CABCVRRESA-N 0 1 281.469 3.570 20 0 CHADMN CC(C)(C)[C@@H]1CCCN1Cc1ccc(Br)cn1 ZINC000514082756 261199430 /nfs/dbraw/zinc/19/94/30/261199430.db2.gz IJMNIGNBVMFRJZ-ZDUSSCGKSA-N 0 1 297.240 3.855 20 0 CHADMN CCC(CC)N(CCOC)Cc1csc(C(C)C)n1 ZINC000102928585 261272728 /nfs/dbraw/zinc/27/27/28/261272728.db2.gz UTDSLMNPCFAMIR-UHFFFAOYSA-N 0 1 284.469 3.904 20 0 CHADMN C[C@@H](Sc1nc(-c2cccnc2)n[nH]1)c1ccccc1 ZINC000102828936 261273673 /nfs/dbraw/zinc/27/36/73/261273673.db2.gz VXNZPERQJWSHEZ-LLVKDONJSA-N 0 1 282.372 3.720 20 0 CHADMN CCN(Cc1cn2cc(C)ccc2n1)Cc1ccc(C)cc1 ZINC000521221395 261279634 /nfs/dbraw/zinc/27/96/34/261279634.db2.gz BUERPODPAUPTLC-UHFFFAOYSA-N 0 1 293.414 3.973 20 0 CHADMN Cc1noc(C)c1CN[C@H](c1cccs1)C1CC1 ZINC000106006182 261322213 /nfs/dbraw/zinc/32/22/13/261322213.db2.gz UQKOXFIYXXBFMW-AWEZNQCLSA-N 0 1 262.378 3.594 20 0 CHADMN COc1cccc(CN[C@@H](CC(C)C)c2ccccc2)n1 ZINC000177299236 261345176 /nfs/dbraw/zinc/34/51/76/261345176.db2.gz HUTTXRKVBQWPOP-KRWDZBQOSA-N 0 1 284.403 3.967 20 0 CHADMN C[C@@H](NCc1ccc(OC(F)F)cc1)c1cncc(F)c1 ZINC000178282452 261384911 /nfs/dbraw/zinc/38/49/11/261384911.db2.gz PXWDBDJORRRZLC-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN C[C@@H](NCc1cc(F)cc2cccnc21)c1cccc(O)c1 ZINC000181577438 261431697 /nfs/dbraw/zinc/43/16/97/261431697.db2.gz WOZRKHCPUJJAMZ-GFCCVEGCSA-N 0 1 296.345 3.930 20 0 CHADMN CC(C)c1noc(CN2C[C@@H](c3ccccc3)C[C@@H]2C)n1 ZINC000172307287 261497380 /nfs/dbraw/zinc/49/73/80/261497380.db2.gz ZTXGHMMGERAZKO-ZFWWWQNUSA-N 0 1 285.391 3.571 20 0 CHADMN COC[C@H](N[C@@H](C)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000180841892 261876269 /nfs/dbraw/zinc/87/62/69/261876269.db2.gz FXWYWUQAJZDERP-KSSFIOAISA-N 0 1 297.398 3.660 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000181590682 261903443 /nfs/dbraw/zinc/90/34/43/261903443.db2.gz QLVVGAMYBLDCRI-KRWDZBQOSA-N 0 1 289.419 3.729 20 0 CHADMN CC(C)OCCN[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000184519498 262022239 /nfs/dbraw/zinc/02/22/39/262022239.db2.gz KYZOPVVPTGYXTA-CYBMUJFWSA-N 0 1 290.432 3.886 20 0 CHADMN CCCN(CCc1cccs1)Cc1nnc(C(C)C)o1 ZINC000184513181 262022464 /nfs/dbraw/zinc/02/24/64/262022464.db2.gz UBPZRVPVZGTROM-UHFFFAOYSA-N 0 1 293.436 3.709 20 0 CHADMN CC(=CC(C)(C)C)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000185159689 262043681 /nfs/dbraw/zinc/04/36/81/262043681.db2.gz LXAHFNWOEGHANA-IIANPFDCSA-N 0 1 285.391 3.733 20 0 CHADMN Cc1cc(C)cc(CN2CCC(C(=O)C(F)(F)F)CC2)c1 ZINC000186034506 262076140 /nfs/dbraw/zinc/07/61/40/262076140.db2.gz GITOATQTDFWHSF-UHFFFAOYSA-N 0 1 299.336 3.647 20 0 CHADMN C[C@H](CN1CCC(C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000186058393 262077046 /nfs/dbraw/zinc/07/70/46/262077046.db2.gz XDFCBRQVLREPRA-GFCCVEGCSA-N 0 1 299.336 3.634 20 0 CHADMN COC[C@H](N[C@H](C)c1sccc1OC)c1ccccc1 ZINC000186211959 262084614 /nfs/dbraw/zinc/08/46/14/262084614.db2.gz NURNRIBJVGQDTJ-OCCSQVGLSA-N 0 1 291.416 3.795 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@H](CCO)c2ccco2)c1 ZINC000186525011 262097614 /nfs/dbraw/zinc/09/76/14/262097614.db2.gz HTZIENKQWPPDBC-GDBMZVCRSA-N 0 1 273.376 3.671 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H](CCO)c2ccco2)s1 ZINC000186548661 262097925 /nfs/dbraw/zinc/09/79/25/262097925.db2.gz KVYUNYANMOQTRP-DGCLKSJQSA-N 0 1 279.405 3.678 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccco1)c1ccc2c(c1)CCC2 ZINC000186562458 262099076 /nfs/dbraw/zinc/09/90/76/262099076.db2.gz YVQDVZLVLYXUPL-DYVFJYSZSA-N 0 1 285.387 3.543 20 0 CHADMN CO[C@@H]1C[C@H](N[C@@H](c2ccccc2)c2ccccn2)C1(C)C ZINC000318920254 262118019 /nfs/dbraw/zinc/11/80/19/262118019.db2.gz XGVPVQNCYWZISF-KSZLIROESA-N 0 1 296.414 3.574 20 0 CHADMN COCCCSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000187154840 262126718 /nfs/dbraw/zinc/12/67/18/262126718.db2.gz WCUCZOCDZVQKSS-UHFFFAOYSA-N 0 1 262.378 3.514 20 0 CHADMN CC(C)(C)[C@H]1CCCN1Cc1noc(-c2ccccc2)n1 ZINC000525785691 262235678 /nfs/dbraw/zinc/23/56/78/262235678.db2.gz GJMXRBIBPIUYKF-CQSZACIVSA-N 0 1 285.391 3.747 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@H]2CCCCC2(F)F)c1Cl ZINC000390716198 262244604 /nfs/dbraw/zinc/24/46/04/262244604.db2.gz YGJCKHCTOBBFIH-LLVKDONJSA-N 0 1 289.753 3.961 20 0 CHADMN C[C@@H](NCc1cc(O)cc(F)c1)c1ccc(F)c(F)c1 ZINC000184136444 262270905 /nfs/dbraw/zinc/27/09/05/262270905.db2.gz KPFYCCPVWALMGM-SECBINFHSA-N 0 1 281.277 3.660 20 0 CHADMN O[C@@H]1CCC[C@@H](CSc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000488230250 262299965 /nfs/dbraw/zinc/29/99/65/262299965.db2.gz KKLNJBXSNWNSLN-MWLCHTKSSA-N 0 1 296.823 3.860 20 0 CHADMN CC(C)[C@@H]1CCN([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000446729860 262380264 /nfs/dbraw/zinc/38/02/64/262380264.db2.gz XKGHNKJCRCLBJR-VXGBXAGGSA-N 0 1 291.420 3.837 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN(C)CC1CCC1 ZINC000061480151 262398257 /nfs/dbraw/zinc/39/82/57/262398257.db2.gz CIGCDOXFFOLSPA-UHFFFAOYSA-N 0 1 275.392 3.520 20 0 CHADMN Cc1cnc([C@@H](C)N[C@@H]2C[C@H]2c2cccc(F)c2)s1 ZINC000411544276 262698272 /nfs/dbraw/zinc/69/82/72/262698272.db2.gz UDPWEGSRWMBAAA-DDTOSNHZSA-N 0 1 276.380 3.797 20 0 CHADMN Cc1nnc(CN(C)[C@H]2CCCC[C@@H]2c2ccccc2)o1 ZINC000411998601 262713320 /nfs/dbraw/zinc/71/33/20/262713320.db2.gz NVVDWCWDPOQHSX-CVEARBPZSA-N 0 1 285.391 3.536 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)C(C)(C)C)c1ccn(C)n1 ZINC000414054376 262797879 /nfs/dbraw/zinc/79/78/79/262797879.db2.gz BKVZYPDSKHEUBZ-CJNGLKHVSA-N 0 1 271.408 3.858 20 0 CHADMN C[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccn(C)n1 ZINC000414066661 262800545 /nfs/dbraw/zinc/80/05/45/262800545.db2.gz HHECKGJDCGHVMQ-YVEFUNNKSA-N 0 1 287.382 3.751 20 0 CHADMN CC(C)O[C@H]1C[C@@H](N[C@H](C)c2csc(C(C)C)n2)C1 ZINC000414151314 262810903 /nfs/dbraw/zinc/81/09/03/262810903.db2.gz WFMFQKFPXALDLA-UPJWGTAASA-N 0 1 282.453 3.873 20 0 CHADMN CCC[C@@H](CCc1ccccc1)N[C@H](C)c1csnn1 ZINC000414308090 262840441 /nfs/dbraw/zinc/84/04/41/262840441.db2.gz SHTOBPCRTNMCPM-HIFRSBDPSA-N 0 1 289.448 3.990 20 0 CHADMN C/C=C(\C)C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000271144420 262993696 /nfs/dbraw/zinc/99/36/96/262993696.db2.gz QPPBJFYXKUNVAD-WLRTZDKTSA-N 0 1 272.392 3.563 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2CC[C@H](C)[C@@H](C)C2)n1 ZINC000414609754 263008915 /nfs/dbraw/zinc/00/89/15/263008915.db2.gz APSJLPAJPGLANT-RVMXOQNASA-N 0 1 265.401 3.655 20 0 CHADMN CC(C)C[C@H](N)c1noc(C2C[C@@H](C)C[C@H](C)C2)n1 ZINC000414613264 263009532 /nfs/dbraw/zinc/00/95/32/263009532.db2.gz FWTFBUQQCBNDQI-GVXVVHGQSA-N 0 1 265.401 3.655 20 0 CHADMN CC(C)C[C@H](N)c1noc(/C=C\c2ccc(F)c(F)c2)n1 ZINC000414615916 263011031 /nfs/dbraw/zinc/01/10/31/263011031.db2.gz JHOPGSUCRHVLJZ-AGLBCWCQSA-N 0 1 293.317 3.564 20 0 CHADMN Cc1ccc(-c2nc([C@H](N)CC(C)C)no2)c2c1CCC2 ZINC000414618557 263012024 /nfs/dbraw/zinc/01/20/24/263012024.db2.gz JWDIWUAWSKCHLB-OAHLLOKOSA-N 0 1 285.391 3.580 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cccc(C(F)F)c2)n1 ZINC000414622758 263014939 /nfs/dbraw/zinc/01/49/39/263014939.db2.gz SRXBBXDRLIUTDH-NSHDSACASA-N 0 1 281.306 3.720 20 0 CHADMN Cc1cc(/C=C/c2nc([C@H](N)CC(C)C)no2)ccc1F ZINC000414628851 263016997 /nfs/dbraw/zinc/01/69/97/263016997.db2.gz SPXFQONTEGJNFA-HZRUHFOJSA-N 0 1 289.354 3.733 20 0 CHADMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@H](C)CC1CCCCC1 ZINC000414678650 263031219 /nfs/dbraw/zinc/03/12/19/263031219.db2.gz JMXQVUPZOAYHOO-ZIAGYGMSSA-N 0 1 269.429 3.778 20 0 CHADMN Cc1c2ccccc2oc1CNCc1ccnn1C(C)C ZINC000281045078 263066058 /nfs/dbraw/zinc/06/60/58/263066058.db2.gz ZSVZXVOCOMSESF-UHFFFAOYSA-N 0 1 283.375 3.808 20 0 CHADMN C[C@H](NCCSC(C)(C)C)c1c(F)cncc1F ZINC000285499825 263093571 /nfs/dbraw/zinc/09/35/71/263093571.db2.gz CUNMDVFSEGTMNQ-VIFPVBQESA-N 0 1 274.380 3.542 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(F)cc1OC(C)(C)C ZINC000289567537 263110800 /nfs/dbraw/zinc/11/08/00/263110800.db2.gz RNZTYZIBLSTBDP-UHFFFAOYSA-N 0 1 277.343 3.647 20 0 CHADMN CCc1ccc(CN(CC)[C@@H](C)c2cccnc2)o1 ZINC000290447414 263116645 /nfs/dbraw/zinc/11/66/45/263116645.db2.gz MFBFTPSSWWAZJB-ZDUSSCGKSA-N 0 1 258.365 3.820 20 0 CHADMN CC[C@@H](C)C[C@H](CC)NCc1ncc(C(F)(F)F)cn1 ZINC000295068231 263171695 /nfs/dbraw/zinc/17/16/95/263171695.db2.gz QVAQBGJZQJLAIG-PWSUYJOCSA-N 0 1 289.345 3.800 20 0 CHADMN C[C@H](NC[C@@H]1CCCCC1(F)F)c1c(F)cncc1F ZINC000295360857 263176540 /nfs/dbraw/zinc/17/65/40/263176540.db2.gz RLROKNZOHFSYKM-UWVGGRQHSA-N 0 1 290.304 3.836 20 0 CHADMN CCn1cc([C@H](C)N[C@@H]2CC(C)(C)Cc3occc32)cn1 ZINC000296111967 263186228 /nfs/dbraw/zinc/18/62/28/263186228.db2.gz ZNKPIVKWWKUTAV-SWLSCSKDSA-N 0 1 287.407 3.860 20 0 CHADMN Cc1cnccc1CNc1ccc(CN(C)C)c(Cl)c1 ZINC000296953638 263198822 /nfs/dbraw/zinc/19/88/22/263198822.db2.gz UCWQBRWMZRQEDO-UHFFFAOYSA-N 0 1 289.810 3.717 20 0 CHADMN Clc1cccc(CCNCc2noc3c2CCCC3)c1 ZINC000297326423 263203291 /nfs/dbraw/zinc/20/32/91/263203291.db2.gz DADZOKNHTQCRIV-UHFFFAOYSA-N 0 1 290.794 3.539 20 0 CHADMN CCc1ncc(CN[C@H](C)c2cc(C)cc(C)c2)o1 ZINC000453367410 263254022 /nfs/dbraw/zinc/25/40/22/263254022.db2.gz MLQMGCRSIWLZOX-CYBMUJFWSA-N 0 1 258.365 3.705 20 0 CHADMN Cc1ccc(-c2ccc(C[N@@H+]3C[C@H](O)C[C@H]3C)s2)cc1 ZINC000471809046 263265682 /nfs/dbraw/zinc/26/56/82/263265682.db2.gz JLFGAWNTZDHHLS-UKRRQHHQSA-N 0 1 287.428 3.679 20 0 CHADMN COc1ccc([C@@H](N[C@@H](C)c2nccnc2C)C(C)C)cc1 ZINC000187711936 263267020 /nfs/dbraw/zinc/26/70/20/263267020.db2.gz CFFJGOPUTLGVKM-YOEHRIQHSA-N 0 1 299.418 3.842 20 0 CHADMN CC[C@H]1CN(Cc2cc(C)ccc2OC(F)F)CCCO1 ZINC000467561893 263268349 /nfs/dbraw/zinc/26/83/49/263268349.db2.gz HKASLVMMUKYGRL-AWEZNQCLSA-N 0 1 299.361 3.597 20 0 CHADMN CCc1occc1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000334169085 263491713 /nfs/dbraw/zinc/49/17/13/263491713.db2.gz AXBWAVXEPQDMKA-UHFFFAOYSA-N 0 1 283.686 3.592 20 0 CHADMN CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000342832092 263514470 /nfs/dbraw/zinc/51/44/70/263514470.db2.gz REBNUDOVIQNSSJ-ZDUSSCGKSA-N 0 1 297.402 3.728 20 0 CHADMN CCC(CC)c1cc(CN[C@@H]2CC[C@@H]2SC)on1 ZINC000425337640 264006382 /nfs/dbraw/zinc/00/63/82/264006382.db2.gz AGTHJJASIPZZRC-OCCSQVGLSA-N 0 1 268.426 3.562 20 0 CHADMN Cc1cc(F)c(CN(C)CCC2CCOCC2)c(F)c1 ZINC000425340082 264007666 /nfs/dbraw/zinc/00/76/66/264007666.db2.gz UYCBUIKVOJZZID-UHFFFAOYSA-N 0 1 283.362 3.522 20 0 CHADMN COc1cc(Cl)ccc1CN1CCCC[C@H]1CC(N)=O ZINC000331101184 264123320 /nfs/dbraw/zinc/12/33/20/264123320.db2.gz BWKIFTRBAZVCRQ-ZDUSSCGKSA-N 0 1 296.798 3.628 20 0 CHADMN CC(C)(C)c1cnc(CN2CCCC[C@@H]2CC(N)=O)s1 ZINC000331300478 264199462 /nfs/dbraw/zinc/19/94/62/264199462.db2.gz BWUADHNBRUAUPU-LLVKDONJSA-N 0 1 295.452 3.720 20 0 CHADMN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ncc(C(C)(C)C)s1 ZINC000331301875 264199940 /nfs/dbraw/zinc/19/99/40/264199940.db2.gz CJEAYLZMTQOIMU-MNOVXSKESA-N 0 1 295.452 3.576 20 0 CHADMN COc1cc(CN2CC(CC(F)F)C2)cc2ccccc21 ZINC000425364939 264211640 /nfs/dbraw/zinc/21/16/40/264211640.db2.gz HXYOUDCKWNYVCO-UHFFFAOYSA-N 0 1 291.341 3.935 20 0 CHADMN CCCCOc1ccccc1CN1CC(CC(F)F)C1 ZINC000425367016 264212073 /nfs/dbraw/zinc/21/20/73/264212073.db2.gz RLMVJWMMUHTNQU-UHFFFAOYSA-N 0 1 283.362 3.953 20 0 CHADMN CS[C@H]1CC[C@@H]1Nc1ccc(Cl)c(CN(C)C)c1 ZINC000425383014 264218688 /nfs/dbraw/zinc/21/86/88/264218688.db2.gz PCBMAKSWONQZMD-KBPBESRZSA-N 0 1 284.856 3.708 20 0 CHADMN C[C@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccccc1F ZINC000366806014 264235267 /nfs/dbraw/zinc/23/52/67/264235267.db2.gz SAJOHXSDVWPZQL-SCLBCKFNSA-N 0 1 284.378 3.663 20 0 CHADMN Clc1cc2c(s1)CCC[C@@H]2NCc1cccnc1 ZINC000127433246 264258666 /nfs/dbraw/zinc/25/86/66/264258666.db2.gz WXUCZECZTORFSH-LBPRGKRZSA-N 0 1 278.808 3.964 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@@H+](C)C[C@H](C)C(=O)[O-])cc1 ZINC000250584183 264260712 /nfs/dbraw/zinc/26/07/12/264260712.db2.gz YIQCYLAGMFDZKN-STQMWFEESA-N 0 1 263.381 3.524 20 0 CHADMN C[C@H](NCC1=CCCOC1)c1cc(Cl)ccc1Cl ZINC000189475248 264301800 /nfs/dbraw/zinc/30/18/00/264301800.db2.gz NPRIZPUPUJHWDJ-JTQLQIEISA-N 0 1 286.202 3.991 20 0 CHADMN CCc1nc([C@H](C)N[C@H](C)c2cc3ccc(C)cc3o2)n[nH]1 ZINC000426015105 264309027 /nfs/dbraw/zinc/30/90/27/264309027.db2.gz FJNHLKKJYPTXPW-NEPJUHHUSA-N 0 1 298.390 3.834 20 0 CHADMN CO[C@H](CN[C@H](C)c1nc(C(C)(C)C)cs1)C1CC1 ZINC000425431312 264321753 /nfs/dbraw/zinc/32/17/53/264321753.db2.gz HWAUDODLNKQNPK-ZYHUDNBSSA-N 0 1 282.453 3.516 20 0 CHADMN CC[C@H](CCO)CNc1cc(C)nc2ccc(F)cc21 ZINC000129470991 264324985 /nfs/dbraw/zinc/32/49/85/264324985.db2.gz YLWWYRPPGYRCHC-GFCCVEGCSA-N 0 1 276.355 3.503 20 0 CHADMN Cc1csc([C@@H](C)N[C@@H]2CCc3ccccc32)n1 ZINC000080270663 264392035 /nfs/dbraw/zinc/39/20/35/264392035.db2.gz ALVYGGRYYWKTDY-BXUZGUMPSA-N 0 1 258.390 3.790 20 0 CHADMN O=C(Nc1nc(C2CCC2)n[nH]1)c1ccc(C2CCC2)cc1 ZINC000190231066 264395586 /nfs/dbraw/zinc/39/55/86/264395586.db2.gz AGNSRSFKUZJRIP-UHFFFAOYSA-N 0 1 296.374 3.592 20 0 CHADMN O=C(Nc1n[nH]c(C2CCC2)n1)c1ccc(C2CCC2)cc1 ZINC000190231066 264395588 /nfs/dbraw/zinc/39/55/88/264395588.db2.gz AGNSRSFKUZJRIP-UHFFFAOYSA-N 0 1 296.374 3.592 20 0 CHADMN C[C@@H](NCC1(C)CC1)c1nc(C(F)(F)F)cs1 ZINC000343849622 265049331 /nfs/dbraw/zinc/04/93/31/265049331.db2.gz PPPIWFUJPRIQRE-SSDOTTSWSA-N 0 1 264.316 3.613 20 0 CHADMN Fc1ccccc1CN1CCC=C(c2ccccn2)C1 ZINC000518887427 265196176 /nfs/dbraw/zinc/19/61/76/265196176.db2.gz WTLAKFQWQPLSAG-UHFFFAOYSA-N 0 1 268.335 3.510 20 0 CHADMN C[C@@H]1C[C@H](C)N1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000335822480 265217154 /nfs/dbraw/zinc/21/71/54/265217154.db2.gz KCSXWQNCFNPDDH-OCAPTIKFSA-N 0 1 294.305 3.515 20 0 CHADMN C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)c1c(F)cccc1F ZINC000094423880 265242370 /nfs/dbraw/zinc/24/23/70/265242370.db2.gz GWJYMPUIKDHFCG-ZWNOBZJWSA-N 0 1 283.362 3.962 20 0 CHADMN CCCCN(CC)C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000519147970 265337807 /nfs/dbraw/zinc/33/78/07/265337807.db2.gz ZZDLOBZIQPFARL-QGZVFWFLSA-N 0 1 290.451 3.718 20 0 CHADMN Cc1cccc2c1CC[C@H]2N[C@H](C)c1cn2ccccc2n1 ZINC000519548230 265469779 /nfs/dbraw/zinc/46/97/79/265469779.db2.gz JDJRPZUIOQGDRF-RHSMWYFYSA-N 0 1 291.398 3.981 20 0 CHADMN FCC1(NCc2cnc(-c3ccsc3)s2)CCC1 ZINC000520405245 265800934 /nfs/dbraw/zinc/80/09/34/265800934.db2.gz AAABCESWBPWDEY-UHFFFAOYSA-N 0 1 282.409 3.853 20 0 CHADMN Cc1ccnc([C@H](C)NCc2cccc3cccnc32)c1 ZINC000353503331 266039204 /nfs/dbraw/zinc/03/92/04/266039204.db2.gz OLVVNXKAMHEPHV-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN c1nc(CSc2nc(-c3ccccc3)n[nH]2)c(C2CC2)o1 ZINC000356184476 266064566 /nfs/dbraw/zinc/06/45/66/266064566.db2.gz AKVBASQXWYOKMJ-UHFFFAOYSA-N 0 1 298.371 3.629 20 0 CHADMN CSc1ccc(CN2CCC[C@@H](n3cccn3)C2)s1 ZINC000356212484 266072929 /nfs/dbraw/zinc/07/29/29/266072929.db2.gz FRVLKVDCOGYBDC-GFCCVEGCSA-N 0 1 293.461 3.504 20 0 CHADMN CC(C)(O)C(C)(C)NCc1csc(C2CCCCC2)n1 ZINC000356289255 266088493 /nfs/dbraw/zinc/08/84/93/266088493.db2.gz VTVLGEJPRCMJIM-UHFFFAOYSA-N 0 1 296.480 3.830 20 0 CHADMN Cc1cn[nH]c1CN1CC[C@H](C)Sc2ccccc21 ZINC000356302054 266092194 /nfs/dbraw/zinc/09/21/94/266092194.db2.gz LQLAZIXEXYWUKS-LBPRGKRZSA-N 0 1 273.405 3.609 20 0 CHADMN Cc1cn[nH]c1CN1CC=C(c2ccccc2Cl)CC1 ZINC000356407484 266108771 /nfs/dbraw/zinc/10/87/71/266108771.db2.gz GYJNZPDZAWGLGQ-UHFFFAOYSA-N 0 1 287.794 3.661 20 0 CHADMN CC[C@@]1(CO)CCCN1Cc1cscc1C(F)(F)F ZINC000356412617 266109903 /nfs/dbraw/zinc/10/99/03/266109903.db2.gz ZBDLQSLMBUOCAX-LBPRGKRZSA-N 0 1 293.354 3.504 20 0 CHADMN Cc1cnn([C@H]2CCN(Cc3ccc(C)c(Cl)c3)C2)c1 ZINC000356529334 266131390 /nfs/dbraw/zinc/13/13/90/266131390.db2.gz QTXYVVWOSABEHW-HNNXBMFYSA-N 0 1 289.810 3.600 20 0 CHADMN CC(C)OC[C@H](C)N[C@@H](c1ccccc1)c1ccccn1 ZINC000367245385 266184419 /nfs/dbraw/zinc/18/44/19/266184419.db2.gz WZOAINLLPBHDTC-YJBOKZPZSA-N 0 1 284.403 3.574 20 0 CHADMN CC(C)OC[C@@H](C)N[C@H](c1ccccc1)c1ccccn1 ZINC000367245382 266184890 /nfs/dbraw/zinc/18/48/90/266184890.db2.gz WZOAINLLPBHDTC-CRAIPNDOSA-N 0 1 284.403 3.574 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@@H](c1cccnc1)C1CC1 ZINC000356852345 266191352 /nfs/dbraw/zinc/19/13/52/266191352.db2.gz RJPNYAGHXHWUAZ-SCLBCKFNSA-N 0 1 281.403 3.841 20 0 CHADMN CCn1cc(CN2CC=C(c3cc(C)cc(C)c3)CC2)cn1 ZINC000356936723 266214357 /nfs/dbraw/zinc/21/43/57/266214357.db2.gz MKTDSMGTTCGNTF-UHFFFAOYSA-N 0 1 295.430 3.809 20 0 CHADMN CC[C@@]1(C)C[C@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000356996530 266227155 /nfs/dbraw/zinc/22/71/55/266227155.db2.gz UEKXQXLODZNMGH-BONVTDFDSA-N 0 1 268.320 3.517 20 0 CHADMN Cc1cc(CN2CCC[C@H](n3cccn3)C2)ccc1Cl ZINC000356995328 266227307 /nfs/dbraw/zinc/22/73/07/266227307.db2.gz PFLREMFBNDJCGX-HNNXBMFYSA-N 0 1 289.810 3.682 20 0 CHADMN COc1cccc(CN2CC=C(c3cccc(C)c3)CC2)n1 ZINC000357027800 266235625 /nfs/dbraw/zinc/23/56/25/266235625.db2.gz STJPRDDXAVIBHJ-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN CCCN(Cc1ncc(C)s1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000357309236 266273125 /nfs/dbraw/zinc/27/31/25/266273125.db2.gz QAAUHMBCLSWPIK-ZIAGYGMSSA-N 0 1 296.480 3.867 20 0 CHADMN Cc1cnc(CN2CCC[C@H](Cc3ccccc3)C2)s1 ZINC000357304582 266273518 /nfs/dbraw/zinc/27/35/18/266273518.db2.gz KTEQUBAQWUPPTI-MRXNPFEDSA-N 0 1 286.444 3.906 20 0 CHADMN C[C@H]1CCCC[C@H]1OCCN(Cc1cccnc1)C1CC1 ZINC000357394519 266289743 /nfs/dbraw/zinc/28/97/43/266289743.db2.gz WHTQQNXULDREMU-MAUKXSAKSA-N 0 1 288.435 3.641 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2C[C@H](C)CCC[C@H]2C)c1 ZINC000357436003 266294979 /nfs/dbraw/zinc/29/49/79/266294979.db2.gz JEYZTGZOTUAHFV-DGCLKSJQSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@H]3CC34CCCCC4)cc2[nH]1 ZINC000357475717 266304668 /nfs/dbraw/zinc/30/46/68/266304668.db2.gz AVWSVRDTRGUACP-CYBMUJFWSA-N 0 1 283.375 3.780 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1nc([C@H](C)OCC(C)C)no1 ZINC000357552358 266321813 /nfs/dbraw/zinc/32/18/13/266321813.db2.gz MIAWWOCIKDWNEK-MELADBBJSA-N 0 1 295.427 3.566 20 0 CHADMN COc1c(C)cnc(CN2Cc3ccccc3C[C@@H]2C)c1C ZINC000357784853 266361595 /nfs/dbraw/zinc/36/15/95/266361595.db2.gz RFHSBMQOIRAFSO-AWEZNQCLSA-N 0 1 296.414 3.654 20 0 CHADMN Cc1ccccc1C[C@H](C)NCc1nnc(C(C)C)s1 ZINC000358280721 266448072 /nfs/dbraw/zinc/44/80/72/266448072.db2.gz BOJCQBWPFXOHOO-ZDUSSCGKSA-N 0 1 289.448 3.691 20 0 CHADMN C[C@H]1CN(Cc2csc(C3CCCC3)n2)C[C@@H]1C ZINC000362432278 266985195 /nfs/dbraw/zinc/98/51/95/266985195.db2.gz YSEHDPNFIQTFND-RYUDHWBXSA-N 0 1 264.438 3.889 20 0 CHADMN CCCc1nc(CN2C[C@@H](C)CC[C@@H]2C)cs1 ZINC000362439322 266986957 /nfs/dbraw/zinc/98/69/57/266986957.db2.gz ODBAEXZYIAULJQ-RYUDHWBXSA-N 0 1 252.427 3.716 20 0 CHADMN C[C@@H](NCc1ccco1)c1ccc2ncsc2c1 ZINC000362524902 267000905 /nfs/dbraw/zinc/00/09/05/267000905.db2.gz KDEAREQCPMESQN-SNVBAGLBSA-N 0 1 258.346 3.740 20 0 CHADMN OCC[C@H](NCc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000362529971 267002252 /nfs/dbraw/zinc/00/22/52/267002252.db2.gz UNYYLVQSJWMYIZ-INIZCTEOSA-N 0 1 293.769 3.692 20 0 CHADMN c1ccc2sc(CN3CC4CCC3CC4)nc2c1 ZINC000362624750 267025749 /nfs/dbraw/zinc/02/57/49/267025749.db2.gz XWUZARBRPJWXIV-UHFFFAOYSA-N 0 1 258.390 3.671 20 0 CHADMN Cc1nc(CN2CCCC3(CCCCC3)C2)oc1C ZINC000362773674 267044652 /nfs/dbraw/zinc/04/46/52/267044652.db2.gz GFTAOCGURYCWPB-UHFFFAOYSA-N 0 1 262.397 3.838 20 0 CHADMN CC(C)(C)c1nnc(CNC2CCC3(CC3)CC2)s1 ZINC000362921859 267061129 /nfs/dbraw/zinc/06/11/29/267061129.db2.gz KKMPLJGBWKGBIV-UHFFFAOYSA-N 0 1 279.453 3.648 20 0 CHADMN COc1ncccc1CN1CCC[C@H]1c1cccc(C)c1 ZINC000362954081 267065305 /nfs/dbraw/zinc/06/53/05/267065305.db2.gz GOOQJXNXXJOZGE-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H]2CCC2CCCC2)no1 ZINC000362963414 267068116 /nfs/dbraw/zinc/06/81/16/267068116.db2.gz MBLJZRMNZGSXRV-MRXNPFEDSA-N 0 1 262.397 3.918 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2CCC2CCCC2)no1 ZINC000362963414 267068119 /nfs/dbraw/zinc/06/81/19/267068119.db2.gz MBLJZRMNZGSXRV-MRXNPFEDSA-N 0 1 262.397 3.918 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCC=Cc2ccccc2)n[nH]1 ZINC000362996350 267071358 /nfs/dbraw/zinc/07/13/58/267071358.db2.gz JIZMKICFRRCXAP-OQXBOSRRSA-N 0 1 284.407 3.682 20 0 CHADMN O=C(C/C=C/c1cccc(F)c1)Nc1ccc2nc[nH]c2c1 ZINC000362995969 267071867 /nfs/dbraw/zinc/07/18/67/267071867.db2.gz GLHKXNNLEXCJBQ-DUXPYHPUSA-N 0 1 295.317 3.744 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000368584662 267188859 /nfs/dbraw/zinc/18/88/59/267188859.db2.gz NOIPHYHPZSYTMV-JKDFXYPNSA-N 0 1 286.350 3.702 20 0 CHADMN COC(=O)c1coc(CN[C@H](C)c2ccc(C3CC3)cc2)c1 ZINC000418117021 267204034 /nfs/dbraw/zinc/20/40/34/267204034.db2.gz SEUGRGSCYBCCLI-GFCCVEGCSA-N 0 1 299.370 3.794 20 0 CHADMN Cc1nc(CN2CC[C@@](C)(c3ccc(C)cc3)C2)oc1C ZINC000369382589 267239506 /nfs/dbraw/zinc/23/95/06/267239506.db2.gz CMFPIYNZQXDKOO-GOSISDBHSA-N 0 1 284.403 3.763 20 0 CHADMN C[C@@H]1CN(Cc2cnc(C(F)(F)F)s2)[C@@H](C)[C@H]1C ZINC000418119178 267261173 /nfs/dbraw/zinc/26/11/73/267261173.db2.gz GCOKBTQCFNLPKM-VGMNWLOBSA-N 0 1 278.343 3.638 20 0 CHADMN Cc1ncc(CN[C@H](C)c2ccc(C3CC3)cc2)cn1 ZINC000418119208 267265497 /nfs/dbraw/zinc/26/54/97/267265497.db2.gz UNYWFLQFDBCSMJ-GFCCVEGCSA-N 0 1 267.376 3.513 20 0 CHADMN CO[C@@H]1CCC[C@H]1N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000370316215 267308576 /nfs/dbraw/zinc/30/85/76/267308576.db2.gz RPPFSMWLEVXMNS-NWANDNLSSA-N 0 1 286.375 3.560 20 0 CHADMN Cc1nc(CN2CCC[C@@H](CC(C)C)C2)cs1 ZINC000119370365 267324942 /nfs/dbraw/zinc/32/49/42/267324942.db2.gz VXYDBGPDQNHKIM-ZDUSSCGKSA-N 0 1 252.427 3.710 20 0 CHADMN CC[C@@H]1C[C@@]1(NCc1cncn1CC)c1cccc(C)c1 ZINC000418143665 267365135 /nfs/dbraw/zinc/36/51/35/267365135.db2.gz MMQPIWXHSRWMBP-QAPCUYQASA-N 0 1 283.419 3.626 20 0 CHADMN Cc1nc([C@H](C)NCC2(c3ccccn3)CCC2)cs1 ZINC000376135838 267942469 /nfs/dbraw/zinc/94/24/69/267942469.db2.gz ZNRILJKMZYRCID-LBPRGKRZSA-N 0 1 287.432 3.619 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1coc(-c2cccs2)n1 ZINC000123466029 268054704 /nfs/dbraw/zinc/05/47/04/268054704.db2.gz FIKWNTVUGJRDBY-GHMZBOCLSA-N 0 1 262.378 3.776 20 0 CHADMN Brc1cscc1CN[C@H]1C=CCCC1 ZINC000306604021 268056040 /nfs/dbraw/zinc/05/60/40/268056040.db2.gz YHOSNZVQQMFDBB-JTQLQIEISA-N 0 1 272.211 3.709 20 0 CHADMN CC(C)(C)C1CCN(Cc2nc(-c3ccoc3)no2)CC1 ZINC000172032381 335090255 /nfs/dbraw/zinc/09/02/55/335090255.db2.gz LTEYNUCNKZJXIC-UHFFFAOYSA-N 0 1 289.379 3.588 20 0 CHADMN CCC1CCN(Cc2nc3ccccc3n2CC)CC1 ZINC000539828576 327694743 /nfs/dbraw/zinc/69/47/43/327694743.db2.gz APHYBSLCTFFJJW-UHFFFAOYSA-N 0 1 271.408 3.678 20 0 CHADMN Clc1ccc(CNCCOCC2CCC2)c(Cl)c1 ZINC000580141673 327707285 /nfs/dbraw/zinc/70/72/85/327707285.db2.gz RUPSLSXDOMFYKE-UHFFFAOYSA-N 0 1 288.218 3.900 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnn(C(C)C)c1)c1ccncc1 ZINC000163786698 327715467 /nfs/dbraw/zinc/71/54/67/327715467.db2.gz JGGNGPCHHSEBAF-CZUORRHYSA-N 0 1 272.396 3.661 20 0 CHADMN Cc1ncncc1[C@@H](C)NCc1ccc2sccc2c1 ZINC000580216294 327736412 /nfs/dbraw/zinc/73/64/12/327736412.db2.gz UFNGSDSSHVRKSR-LLVKDONJSA-N 0 1 283.400 3.851 20 0 CHADMN C[C@H](N[C@@H]1CCCOC1)c1cc(Cl)sc1Cl ZINC000167411471 327736979 /nfs/dbraw/zinc/73/69/79/327736979.db2.gz ITCFDJNHGXDKCP-JGVFFNPUSA-N 0 1 280.220 3.885 20 0 CHADMN Cc1nc(C2(NC[C@@H]3CCCC[C@H]3C)CCCC2)no1 ZINC000183668092 327763994 /nfs/dbraw/zinc/76/39/94/327763994.db2.gz CUZKRDFDTNACPG-OCCSQVGLSA-N 0 1 277.412 3.563 20 0 CHADMN CCCC[C@H](NCc1nc(C(C)C)no1)C1CCC1 ZINC000184866229 327834549 /nfs/dbraw/zinc/83/45/49/327834549.db2.gz MAACFJRPTFTKGB-ZDUSSCGKSA-N 0 1 265.401 3.642 20 0 CHADMN COC[C@@H](NCc1cc(C)cc(C)c1)c1ccc(F)cc1 ZINC000531206203 327889231 /nfs/dbraw/zinc/88/92/31/327889231.db2.gz BZBCIBRXXKNQAJ-GOSISDBHSA-N 0 1 287.378 3.920 20 0 CHADMN CCCCOCCNCc1cccc(Cl)c1Cl ZINC000040506594 327916402 /nfs/dbraw/zinc/91/64/02/327916402.db2.gz ICLBQQGOFJUPBZ-UHFFFAOYSA-N 0 1 276.207 3.900 20 0 CHADMN NC1(c2noc([C@H]3CCCc4ccccc43)n2)CCCCC1 ZINC000261934607 327925927 /nfs/dbraw/zinc/92/59/27/327925927.db2.gz KBZFPLIYBWDDFF-HNNXBMFYSA-N 0 1 297.402 3.656 20 0 CHADMN Cc1cc(C[N@H+](C)[C@@H](C)c2ccc(C)cc2)oc1C(=O)[O-] ZINC000563278817 328006875 /nfs/dbraw/zinc/00/68/75/328006875.db2.gz WCVFNRRGJKKZQR-ZDUSSCGKSA-N 0 1 287.359 3.788 20 0 CHADMN CCC[C@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000563279127 328007020 /nfs/dbraw/zinc/00/70/20/328007020.db2.gz PCCYZENQKTUWLN-JTQLQIEISA-N 0 1 269.772 3.659 20 0 CHADMN CCC[C@@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000563279130 328007158 /nfs/dbraw/zinc/00/71/58/328007158.db2.gz PCCYZENQKTUWLN-SNVBAGLBSA-N 0 1 269.772 3.659 20 0 CHADMN Cc1ccnc(CN2CCC[C@@H]2CCC2CCCC2)n1 ZINC000339662130 328012620 /nfs/dbraw/zinc/01/26/20/328012620.db2.gz HNJSHWPMLZCNKA-MRXNPFEDSA-N 0 1 273.424 3.720 20 0 CHADMN COC[C@H](CC(C)C)N[C@@H](c1ccccc1)c1ccccn1 ZINC000531692763 328024968 /nfs/dbraw/zinc/02/49/68/328024968.db2.gz ABERWIKGJDXJTM-HKUYNNGSSA-N 0 1 298.430 3.822 20 0 CHADMN COC[C@@H](CC(C)C)N[C@H](c1ccccc1)c1ccccn1 ZINC000531692764 328025016 /nfs/dbraw/zinc/02/50/16/328025016.db2.gz ABERWIKGJDXJTM-IEBWSBKVSA-N 0 1 298.430 3.822 20 0 CHADMN CCc1cc(CN[C@@H](C)c2ccc(C)cc2C)on1 ZINC000531720976 328028545 /nfs/dbraw/zinc/02/85/45/328028545.db2.gz IRZSLOVOELOOAC-ZDUSSCGKSA-N 0 1 258.365 3.705 20 0 CHADMN C[C@H](N[C@@H]1C[N@H+](C)C[C@H]1C)c1cccc(Cl)c1Cl ZINC000531712627 328027669 /nfs/dbraw/zinc/02/76/69/328027669.db2.gz RWYJFOMGQXTKBG-GBIKHYSHSA-N 0 1 287.234 3.594 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@@H](C)c2ccsc2)cn1 ZINC000531717398 328028264 /nfs/dbraw/zinc/02/82/64/328028264.db2.gz SQXRALGHANBVQT-NWDGAFQWSA-N 0 1 263.410 3.937 20 0 CHADMN COC(=O)c1sccc1CN1CCC[C@@H]1C(C)(C)C ZINC000531779858 328033323 /nfs/dbraw/zinc/03/33/23/328033323.db2.gz AOPCRWCPIIIZEM-GFCCVEGCSA-N 0 1 281.421 3.545 20 0 CHADMN c1sc(CN2C3CCC2CC3)nc1-c1ccccc1 ZINC000534331689 328046255 /nfs/dbraw/zinc/04/62/55/328046255.db2.gz TXQHLPIMVBCSMQ-UHFFFAOYSA-N 0 1 270.401 3.937 20 0 CHADMN C[C@H](O)CN(Cc1ccc([C@H]2C[C@H]2C)o1)Cc1ccccc1 ZINC000534345775 328047454 /nfs/dbraw/zinc/04/74/54/328047454.db2.gz JUERQOWCRASSAU-VKJFTORMSA-N 0 1 299.414 3.786 20 0 CHADMN C[C@@H]1C[C@H](C)N1Cc1ccc(OCc2ccccc2)nc1 ZINC000563350165 328056966 /nfs/dbraw/zinc/05/69/66/328056966.db2.gz ZYBUEUQJQYHFAP-GASCZTMLSA-N 0 1 282.387 3.643 20 0 CHADMN Cc1nsc(C)c1CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000563352917 328057491 /nfs/dbraw/zinc/05/74/91/328057491.db2.gz INOXEBFYVKIBIP-KCJUWKMLSA-N 0 1 278.343 3.533 20 0 CHADMN CCc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)s1 ZINC000563362124 328059058 /nfs/dbraw/zinc/05/90/58/328059058.db2.gz KCVQICNXJRNIOH-PBHICJAKSA-N 0 1 287.428 3.618 20 0 CHADMN C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1noc2ccccc12 ZINC000563419896 328063827 /nfs/dbraw/zinc/06/38/27/328063827.db2.gz ZXURIKOSWPFLER-ZMZPIMSZSA-N 0 1 296.345 3.990 20 0 CHADMN C[C@H]1Cc2ccc(F)cc2[C@H]1NCc1noc2ccccc12 ZINC000563419895 328063972 /nfs/dbraw/zinc/06/39/72/328063972.db2.gz ZXURIKOSWPFLER-VOJFVSQTSA-N 0 1 296.345 3.990 20 0 CHADMN CCO[C@@H]1C[C@H]1N[C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000563510322 328070843 /nfs/dbraw/zinc/07/08/43/328070843.db2.gz KLKMHYQXUQXXMW-MORSLUCNSA-N 0 1 298.386 3.702 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])c(C)o1 ZINC000563542050 328072524 /nfs/dbraw/zinc/07/25/24/328072524.db2.gz UZSPTFSSNCREDV-IAQYHMDHSA-N 0 1 279.380 3.687 20 0 CHADMN Fc1cc(CSCc2n[nH]c(C3CC3)n2)ccc1Cl ZINC000193729545 329061448 /nfs/dbraw/zinc/06/14/48/329061448.db2.gz UQXRHLORJRLLGZ-UHFFFAOYSA-N 0 1 297.786 3.908 20 0 CHADMN CC(C)c1nsc(NC[C@H]2CCCCC(F)(F)C2)n1 ZINC000571232433 328094127 /nfs/dbraw/zinc/09/41/27/328094127.db2.gz VUARGDKDUINEOV-JTQLQIEISA-N 0 1 289.395 3.711 20 0 CHADMN CCCC[C@@H](C)N(C)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000571253888 328094781 /nfs/dbraw/zinc/09/47/81/328094781.db2.gz SRYZAGKQAJZTCK-LLVKDONJSA-N 0 1 291.420 3.789 20 0 CHADMN CCN(Cc1nc(-c2ccccc2)no1)C1CC(C)(C)C1 ZINC000412033652 328101746 /nfs/dbraw/zinc/10/17/46/328101746.db2.gz IXXJNHBVYKRSDP-UHFFFAOYSA-N 0 1 285.391 3.747 20 0 CHADMN C[C@@H](CN=c1[nH]cc(C(F)(F)F)s1)CC(F)(F)F ZINC000413526077 328148430 /nfs/dbraw/zinc/14/84/30/328148430.db2.gz BEYBCMFBNLDGPA-RXMQYKEDSA-N 0 1 292.248 3.584 20 0 CHADMN CC[C@H](O)CCN[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414095866 328152360 /nfs/dbraw/zinc/15/23/60/328152360.db2.gz OEUYRWQKXGGPKF-JSGCOSHPSA-N 0 1 290.432 3.622 20 0 CHADMN Cc1occc1CN[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000414306237 328154167 /nfs/dbraw/zinc/15/41/67/328154167.db2.gz QXETVUYPYLDDQP-DLBZAZTESA-N 0 1 271.360 3.598 20 0 CHADMN CCn1ccnc1NCc1cc(F)cc(C(F)(F)F)c1 ZINC000414307023 328154449 /nfs/dbraw/zinc/15/44/49/328154449.db2.gz UPWZSDACJYHYFO-UHFFFAOYSA-N 0 1 287.260 3.673 20 0 CHADMN Cc1occc1CN[C@@H](c1ncccc1C)C(C)C ZINC000414397197 328163146 /nfs/dbraw/zinc/16/31/46/328163146.db2.gz SUWMOEDHEYSKNE-OAHLLOKOSA-N 0 1 258.365 3.778 20 0 CHADMN CCc1ncc(CN[C@H](C)c2cccc(C)c2C)cn1 ZINC000414390389 328161420 /nfs/dbraw/zinc/16/14/20/328161420.db2.gz ITAVOEIUTMYDRP-CQSZACIVSA-N 0 1 269.392 3.507 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@H]2CC(C)(C)C)cc1C(=O)[O-] ZINC000582671149 329122516 /nfs/dbraw/zinc/12/25/16/329122516.db2.gz HMVMPUCHCSBXTD-LBPRGKRZSA-N 0 1 279.380 3.687 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2cccc(C3CC3)c2)cn1 ZINC000414463514 328182348 /nfs/dbraw/zinc/18/23/48/328182348.db2.gz WAWZUOXUOLJHLQ-ZDUSSCGKSA-N 0 1 281.403 3.767 20 0 CHADMN Cc1ccncc1CN(C)Cc1ccc(Cl)cc1 ZINC000269453138 328190523 /nfs/dbraw/zinc/19/05/23/328190523.db2.gz BPWNEXBOTYWBMM-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN CC(C)c1cnc(CNCC(C)(C)OCC2CC2)s1 ZINC000414507303 328190668 /nfs/dbraw/zinc/19/06/68/328190668.db2.gz VZFSTLHPYFXJAH-UHFFFAOYSA-N 0 1 282.453 3.561 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H](C)c1sccc1C ZINC000437097775 328197839 /nfs/dbraw/zinc/19/78/39/328197839.db2.gz OTJBMWCVXGEIQN-NWDGAFQWSA-N 0 1 276.405 3.872 20 0 CHADMN CC(C)CCCNCc1ncc(C(F)(F)F)s1 ZINC000278583384 328227566 /nfs/dbraw/zinc/22/75/66/328227566.db2.gz GECAFTVMFFXDFU-UHFFFAOYSA-N 0 1 266.332 3.688 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1Cc1nc(C(C)C)no1 ZINC000178555824 329198172 /nfs/dbraw/zinc/19/81/72/329198172.db2.gz MSKHUCWVWUZUKT-CHWSQXEVSA-N 0 1 265.401 3.594 20 0 CHADMN Cc1cc(F)ccc1CCNCc1ncc(Cl)s1 ZINC000225365389 329251109 /nfs/dbraw/zinc/25/11/09/329251109.db2.gz PVUJVYWDDQUBDX-UHFFFAOYSA-N 0 1 284.787 3.576 20 0 CHADMN CCc1nc(C)c([C@H](C)N(C)CCC(=O)C(C)C)s1 ZINC000290207469 328258404 /nfs/dbraw/zinc/25/84/04/328258404.db2.gz HBYZWPSSFKHPPO-LBPRGKRZSA-N 0 1 282.453 3.622 20 0 CHADMN CC[C@H](C)CNc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000531931024 328319768 /nfs/dbraw/zinc/31/97/68/328319768.db2.gz BOBAKLLQWALYRW-JYJNAYRXSA-N 0 1 290.451 3.754 20 0 CHADMN CCc1ccc([C@@H](C)NCc2nc3ccccc3[nH]2)cc1 ZINC000048777311 328320449 /nfs/dbraw/zinc/32/04/49/328320449.db2.gz BAUFGNFCFRYMMQ-CYBMUJFWSA-N 0 1 279.387 3.976 20 0 CHADMN CC1(C)CN(CCCSc2ccccc2Cl)CCO1 ZINC000110919076 328321615 /nfs/dbraw/zinc/32/16/15/328321615.db2.gz KXSHGIAFPOJMGB-UHFFFAOYSA-N 0 1 299.867 3.933 20 0 CHADMN CN(CC(=O)Nc1cccc2ccccc21)CC1CCC1 ZINC000111299526 328345186 /nfs/dbraw/zinc/34/51/86/328345186.db2.gz MUYNVTRQHRYKJD-UHFFFAOYSA-N 0 1 282.387 3.510 20 0 CHADMN C[C@H](N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccoc1 ZINC000531962490 328347570 /nfs/dbraw/zinc/34/75/70/328347570.db2.gz OPVRJOSIWCAZHT-JCURWCKSSA-N 0 1 289.350 3.990 20 0 CHADMN CC(C)[C@H]1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000534726037 328359321 /nfs/dbraw/zinc/35/93/21/328359321.db2.gz RLJBIXBWLFIRFE-AWEZNQCLSA-N 0 1 289.423 3.576 20 0 CHADMN Cc1ccc(NC(=O)CN(C)CC2CCCC2)c(Cl)c1 ZINC000049492142 328364260 /nfs/dbraw/zinc/36/42/60/328364260.db2.gz JXYJFDJIFBSBLT-UHFFFAOYSA-N 0 1 294.826 3.709 20 0 CHADMN CN(CC(=O)Nc1ccc(F)cc1Cl)CC1CCCC1 ZINC000049492135 328364276 /nfs/dbraw/zinc/36/42/76/328364276.db2.gz UTMQNJWTMZFDDW-UHFFFAOYSA-N 0 1 298.789 3.540 20 0 CHADMN CCCN(C)[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000049480376 328364618 /nfs/dbraw/zinc/36/46/18/328364618.db2.gz BQRLGFAQJRATPP-SECBINFHSA-N 0 1 289.206 3.662 20 0 CHADMN CC[C@H](C)N(C)Cc1ccc(F)cc1Br ZINC000049595448 328374096 /nfs/dbraw/zinc/37/40/96/328374096.db2.gz RXLRXLQAXYDBGQ-VIFPVBQESA-N 0 1 274.177 3.819 20 0 CHADMN Oc1ccc(Cl)cc1-c1nc(-c2ccccc2F)no1 ZINC000111688238 328374978 /nfs/dbraw/zinc/37/49/78/328374978.db2.gz FGFXIDAEEJPTPE-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN FC(F)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000531983267 328377467 /nfs/dbraw/zinc/37/74/67/328377467.db2.gz SEVBZXJKRVDGNT-UHFFFAOYSA-N 0 1 259.727 3.817 20 0 CHADMN CC[C@@H](NCc1ccccc1CO)c1cc(F)ccc1F ZINC000305147149 328393059 /nfs/dbraw/zinc/39/30/59/328393059.db2.gz SBMZMIDWGBOAMC-QGZVFWFLSA-N 0 1 291.341 3.698 20 0 CHADMN CCCC1(c2noc(-c3ccc4cncn4c3)n2)CCC1 ZINC000563682675 328394310 /nfs/dbraw/zinc/39/43/10/328394310.db2.gz MKJZTBHZBOIDPX-UHFFFAOYSA-N 0 1 282.347 3.606 20 0 CHADMN CN(C(=O)c1ccc2cncn2c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416281876 328433980 /nfs/dbraw/zinc/43/39/80/328433980.db2.gz AZYLMNOCACCSNQ-HZPDHXFCSA-N 0 1 299.418 3.621 20 0 CHADMN CN(C(=O)c1ccc2cncn2c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416281875 328433985 /nfs/dbraw/zinc/43/39/85/328433985.db2.gz AZYLMNOCACCSNQ-HOTGVXAUSA-N 0 1 299.418 3.621 20 0 CHADMN Cc1ccc([O-])c(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)n1 ZINC000112716521 328446240 /nfs/dbraw/zinc/44/62/40/328446240.db2.gz ZPXVZPPDWQNVMP-KGLIPLIRSA-N 0 1 276.424 3.790 20 0 CHADMN C[C@H](C[C@@H]1CCCO1)Nc1ccnc2cc(F)ccc21 ZINC000113247270 328456888 /nfs/dbraw/zinc/45/68/88/328456888.db2.gz MCVHHICWTNVUKL-YPMHNXCESA-N 0 1 274.339 3.743 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1ccncc1F ZINC000334503209 328488850 /nfs/dbraw/zinc/48/88/50/328488850.db2.gz LGCPWFLDJWDIFH-QLJPJBMISA-N 0 1 274.314 3.698 20 0 CHADMN Cc1sc(CNC2CC(OC(C)C)C2)nc1C(C)C ZINC000428099872 328491390 /nfs/dbraw/zinc/49/13/90/328491390.db2.gz NTWOOFMDYBFQLK-UHFFFAOYSA-N 0 1 282.453 3.621 20 0 CHADMN C/C(Cl)=C\CN1CCC(OC2CCCC2)CC1 ZINC000528363855 328558924 /nfs/dbraw/zinc/55/89/24/328558924.db2.gz HCPHXVGPGXRVEN-WUXMJOGZSA-N 0 1 257.805 3.553 20 0 CHADMN C[C@@H]1C[C@@H](NCc2csnn2)C[C@@H](c2ccccc2)C1 ZINC000398361289 328591068 /nfs/dbraw/zinc/59/10/68/328591068.db2.gz FSODBVRTFYVVLP-AEGPPILISA-N 0 1 287.432 3.600 20 0 CHADMN C[C@H](N[C@@H]1CC[C@H]1C1CC1)c1nc(C2CCCCC2)no1 ZINC000583526692 328598392 /nfs/dbraw/zinc/59/83/92/328598392.db2.gz XBYLEEGIYCYWCT-TUKIKUTGSA-N 0 1 289.423 3.957 20 0 CHADMN C[C@H](NCc1ccc2c(c1)OCO2)c1ccc(Cl)s1 ZINC000035286070 326816354 /nfs/dbraw/zinc/81/63/54/326816354.db2.gz OYZNFROZKNOGLH-VIFPVBQESA-N 0 1 295.791 3.981 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N1CCC(C)CC1 ZINC000025545877 326870447 /nfs/dbraw/zinc/87/04/47/326870447.db2.gz LIRCSFLUKZWIBI-CYBMUJFWSA-N 0 1 294.826 3.707 20 0 CHADMN CCc1ccc([C@@H](CC)NCc2cnc(C)o2)cc1 ZINC000398071982 326870914 /nfs/dbraw/zinc/87/09/14/326870914.db2.gz OCWFPSDVHDBVOT-MRXNPFEDSA-N 0 1 258.365 3.786 20 0 CHADMN CC(C)C[C@@H]1CCC[C@H](N[C@H](C)c2csnn2)C1 ZINC000398251198 326876545 /nfs/dbraw/zinc/87/65/45/326876545.db2.gz ACSLJRUHLSMRJX-AGIUHOORSA-N 0 1 267.442 3.794 20 0 CHADMN CCCC1CCC(N[C@@H](C)c2csnn2)CC1 ZINC000398272300 326877129 /nfs/dbraw/zinc/87/71/29/326877129.db2.gz QRTIONPMTSVDPY-UNXYVOJBSA-N 0 1 253.415 3.548 20 0 CHADMN CC(C)=CCC[C@@H](C)CCNC(C)(C)c1nc(C)no1 ZINC000557367194 327003171 /nfs/dbraw/zinc/00/31/71/327003171.db2.gz HDFVJJDLBSIOBR-CYBMUJFWSA-N 0 1 279.428 3.975 20 0 CHADMN C[C@H](NCCCC1CCCCC1)c1csnn1 ZINC000398315407 327016641 /nfs/dbraw/zinc/01/66/41/327016641.db2.gz SRZYYQHNSCOZLB-NSHDSACASA-N 0 1 253.415 3.549 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263340489 327019258 /nfs/dbraw/zinc/01/92/58/327019258.db2.gz NGRPNGBAHRWBBE-UXIGCNINSA-N 0 1 295.810 3.834 20 0 CHADMN Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000261562485 327023569 /nfs/dbraw/zinc/02/35/69/327023569.db2.gz YQZBAIUEDOKAAK-CABCVRRESA-N 0 1 275.392 3.633 20 0 CHADMN Fc1cc(F)c(SCCN2CCCCC2)c(F)c1 ZINC000525520130 327024687 /nfs/dbraw/zinc/02/46/87/327024687.db2.gz OMMYTWRSMVIPTC-UHFFFAOYSA-N 0 1 275.339 3.682 20 0 CHADMN CCn1cncc1CN[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000090171391 327031534 /nfs/dbraw/zinc/03/15/34/327031534.db2.gz DBTFLQUJDKAEHO-LLVKDONJSA-N 0 1 297.324 3.773 20 0 CHADMN CCn1cncc1CN[C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000090171574 327031857 /nfs/dbraw/zinc/03/18/57/327031857.db2.gz ZIICDZLHNNYULV-HNNXBMFYSA-N 0 1 287.407 3.608 20 0 CHADMN CCCCN(C(=O)c1cc(CC)[nH]n1)C1CCCCC1 ZINC000557978757 327038967 /nfs/dbraw/zinc/03/89/67/327038967.db2.gz OEZGMNIQVNZGMX-UHFFFAOYSA-N 0 1 277.412 3.547 20 0 CHADMN CC(C)C1CCC(C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)CC1 ZINC000263491369 327046863 /nfs/dbraw/zinc/04/68/63/327046863.db2.gz IQIHPVYUENEJNO-PRLABOORSA-N 0 1 281.440 3.634 20 0 CHADMN COc1nc(C)cc(C)c1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000558087253 327064566 /nfs/dbraw/zinc/06/45/66/327064566.db2.gz KLJDYRVYMHFUAX-HNNXBMFYSA-N 0 1 284.403 3.900 20 0 CHADMN COc1nc(C)cc(C)c1CN(C)[C@@H](C)c1ccccc1 ZINC000558087253 327064568 /nfs/dbraw/zinc/06/45/68/327064568.db2.gz KLJDYRVYMHFUAX-HNNXBMFYSA-N 0 1 284.403 3.900 20 0 CHADMN CCC(C)(C)OCCN[C@@H](C)c1cc(F)ccc1F ZINC000308760135 332780712 /nfs/dbraw/zinc/78/07/12/332780712.db2.gz XNIGKKIKRYERQK-NSHDSACASA-N 0 1 271.351 3.821 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](C)c2ccc(C)cc2)c(F)cn1 ZINC000558224982 327079822 /nfs/dbraw/zinc/07/98/22/327079822.db2.gz BBTHFNXAGOAHRV-QWHCGFSZSA-N 0 1 288.366 3.950 20 0 CHADMN CC[C@@H]1CC[C@@H]1N[C@H](c1ccccn1)c1ccccc1OC ZINC000558253136 327082356 /nfs/dbraw/zinc/08/23/56/327082356.db2.gz WDYIHOGQNATONK-ALKREAHSSA-N 0 1 296.414 3.958 20 0 CHADMN Cc1cc(-c2noc(C(C)(C)C(C)C)n2)cc2nc[nH]c21 ZINC000558343636 327088343 /nfs/dbraw/zinc/08/83/43/327088343.db2.gz ZJPKBOBMYGLURF-UHFFFAOYSA-N 0 1 284.363 3.855 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2C[C@@H](C)n3ccnc32)s1 ZINC000345349395 327088923 /nfs/dbraw/zinc/08/89/23/327088923.db2.gz GJHZCUBOCQRANS-USWWRNFRSA-N 0 1 261.394 3.610 20 0 CHADMN FC1(CN(CCc2ccccc2)Cc2cccnc2)CC1 ZINC000558419565 327093559 /nfs/dbraw/zinc/09/35/59/327093559.db2.gz RFPOGFGCQLGMJA-UHFFFAOYSA-N 0 1 284.378 3.628 20 0 CHADMN CCc1ccc(CN(C)[C@H](C)c2cccnc2)s1 ZINC000558450755 327095340 /nfs/dbraw/zinc/09/53/40/327095340.db2.gz WCGSYDIWVVKVBP-GFCCVEGCSA-N 0 1 260.406 3.899 20 0 CHADMN C[C@H](N(C)Cc1cc(C(C)(C)C)on1)C(C)(C)C ZINC000558457479 327095694 /nfs/dbraw/zinc/09/56/94/327095694.db2.gz QHVYJFDZIKJEAO-NSHDSACASA-N 0 1 252.402 3.839 20 0 CHADMN Cc1cnc(CCN(C)Cc2nc3ccccc3o2)c(C)c1 ZINC000564913002 327138962 /nfs/dbraw/zinc/13/89/62/327138962.db2.gz VKHZNYMHQRDOJN-UHFFFAOYSA-N 0 1 295.386 3.514 20 0 CHADMN CCCCCOc1cc(CN2CC(C)C2)ccc1OC ZINC000559073209 327140315 /nfs/dbraw/zinc/14/03/15/327140315.db2.gz ZUSKNDVRZGIZBV-UHFFFAOYSA-N 0 1 277.408 3.716 20 0 CHADMN CCOc1cccc(CNCc2cc3ccccc3s2)n1 ZINC000559308128 327157492 /nfs/dbraw/zinc/15/74/92/327157492.db2.gz OYUAAEWGDHDGFD-UHFFFAOYSA-N 0 1 298.411 3.985 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000518547074 327173327 /nfs/dbraw/zinc/17/33/27/327173327.db2.gz UZRTVKDUBHDOAF-WCQYABFASA-N 0 1 281.421 3.847 20 0 CHADMN OC1CCC2(CC1)CCN(Cc1ccsc1Cl)CC2 ZINC000449370429 327177477 /nfs/dbraw/zinc/17/74/77/327177477.db2.gz YQHNQTPDDGHSDK-UHFFFAOYSA-N 0 1 299.867 3.919 20 0 CHADMN Cc1ccc([C@@H]2CCC[C@H]2NC(CF)CF)cc1 ZINC000449377466 327181952 /nfs/dbraw/zinc/18/19/52/327181952.db2.gz AIINNQVUPGFUQY-LSDHHAIUSA-N 0 1 253.336 3.528 20 0 CHADMN CC(C)[C@H]1CCC[C@H](NCc2ncn(-c3ccccc3)n2)C1 ZINC000559357466 327187499 /nfs/dbraw/zinc/18/74/99/327187499.db2.gz AYFAPSWHYDBMJM-HOTGVXAUSA-N 0 1 298.434 3.572 20 0 CHADMN CN(C/C=C/c1ccncc1)Cc1cc(F)c(F)c(F)c1 ZINC000426167781 327189762 /nfs/dbraw/zinc/18/97/62/327189762.db2.gz VLCFVGXNLZOZIK-NSCUHMNNSA-N 0 1 292.304 3.644 20 0 CHADMN CC(C)C[C@@H](C)C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000410407404 327191938 /nfs/dbraw/zinc/19/19/38/327191938.db2.gz KQJWQYVRMSOGQJ-UKRRQHHQSA-N 0 1 267.438 3.804 20 0 CHADMN CC(C)C[C@@H](C)CN1CCO[C@@H](c2ccsc2)C1 ZINC000410407404 327191940 /nfs/dbraw/zinc/19/19/40/327191940.db2.gz KQJWQYVRMSOGQJ-UKRRQHHQSA-N 0 1 267.438 3.804 20 0 CHADMN Cc1ccsc1[C@H](C)NCc1c(C)noc1C ZINC000092328874 327192337 /nfs/dbraw/zinc/19/23/37/327192337.db2.gz NKLUMZQLAZCSOO-JTQLQIEISA-N 0 1 250.367 3.512 20 0 CHADMN COc1cccc([C@@H]2CN(CCCC(C)(C)C)CCO2)c1 ZINC000410414895 327192774 /nfs/dbraw/zinc/19/27/74/327192774.db2.gz TVKORFBBJXDUJM-KRWDZBQOSA-N 0 1 291.435 3.895 20 0 CHADMN Cc1ccoc1CN(C)[C@H]1CCCc2nc(C)sc21 ZINC000093365125 327197462 /nfs/dbraw/zinc/19/74/62/327197462.db2.gz JAJGJRAOJRMZRV-ZDUSSCGKSA-N 0 1 276.405 3.862 20 0 CHADMN CC(C)CCC[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000569612092 327212745 /nfs/dbraw/zinc/21/27/45/327212745.db2.gz POMAHRZRKCZMKA-UHFFFAOYSA-N 0 1 299.361 3.678 20 0 CHADMN CC1(C)CC[C@H]1NCc1ncc(-c2ccc(F)cc2)o1 ZINC000584300660 327228843 /nfs/dbraw/zinc/22/88/43/327228843.db2.gz XIUUATPSBDSGAX-CQSZACIVSA-N 0 1 274.339 3.759 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1[nH]nc2ccccc21 ZINC000053374107 327235848 /nfs/dbraw/zinc/23/58/48/327235848.db2.gz KSSWMWJKNNHLQU-NSHDSACASA-N 0 1 297.333 3.535 20 0 CHADMN Cc1c(F)cccc1NC(=O)c1ccc(Cl)cc1O ZINC000043322344 327251533 /nfs/dbraw/zinc/25/15/33/327251533.db2.gz MPXPAHXKGWFEKW-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN CCc1ccc(NC(=O)c2ccc3cncn3c2)cc1CC ZINC000559618872 327255714 /nfs/dbraw/zinc/25/57/14/327255714.db2.gz JWPYFXQPJBMEOR-UHFFFAOYSA-N 0 1 293.370 3.711 20 0 CHADMN CC1(C)CCC[C@H](NC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000149996567 327258727 /nfs/dbraw/zinc/25/87/27/327258727.db2.gz XWQIDVVXZMPAON-NSHDSACASA-N 0 1 281.783 3.744 20 0 CHADMN CCn1cc([C@H](C)N[C@H](C)c2cc(C)ccc2OC)cn1 ZINC000044496647 327267316 /nfs/dbraw/zinc/26/73/16/327267316.db2.gz PPXVVMZPMRTISR-UONOGXRCSA-N 0 1 287.407 3.632 20 0 CHADMN CCn1cc([C@@H](C)N[C@H](C)c2ccc(F)c(F)c2)cn1 ZINC000044496434 327267420 /nfs/dbraw/zinc/26/74/20/327267420.db2.gz QUWKTPNMBLKIPQ-GHMZBOCLSA-N 0 1 279.334 3.593 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(C(F)(F)F)cc1)c1cnn(C)c1 ZINC000044497635 327267992 /nfs/dbraw/zinc/26/79/92/327267992.db2.gz HQSDPQKJIGZFIW-GHMZBOCLSA-N 0 1 297.324 3.851 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H]1F)c1cc(F)c(F)c(F)c1 ZINC000559914678 327270551 /nfs/dbraw/zinc/27/05/51/327270551.db2.gz HDWZJYPTLUPPBM-QOSJWCAFSA-N 0 1 261.262 3.645 20 0 CHADMN C[C@@H](N[C@H]1CCC[C@H]1F)c1nccc2ccccc21 ZINC000559918681 327271095 /nfs/dbraw/zinc/27/10/95/327271095.db2.gz VCUJIZKUTAUUQX-DFBGVHRSSA-N 0 1 258.340 3.776 20 0 CHADMN C[C@@H]1CCC[C@H](C)CN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000559981132 327275264 /nfs/dbraw/zinc/27/52/64/327275264.db2.gz FYPUVGMHIBVNLM-UONOGXRCSA-N 0 1 297.402 3.727 20 0 CHADMN CCn1c2ccccc2nc1CN1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000560133729 327285669 /nfs/dbraw/zinc/28/56/69/327285669.db2.gz WFJXUXXDUMAVBR-HNAYVOBHSA-N 0 1 295.430 3.677 20 0 CHADMN CC[C@@H]1CCC[C@@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000560341984 327301443 /nfs/dbraw/zinc/30/14/43/327301443.db2.gz NLRDJDNRKCFQHF-PWSUYJOCSA-N 0 1 282.347 3.907 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1c(C)cccc1C ZINC000560538717 327321300 /nfs/dbraw/zinc/32/13/00/327321300.db2.gz NONVEMAMDPMJDA-UHFFFAOYSA-N 0 1 272.392 3.933 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1cccc(C)n1 ZINC000560554243 327324192 /nfs/dbraw/zinc/32/41/92/327324192.db2.gz VNYMYDQJTHDPLM-NTCAYCPXSA-N 0 1 266.388 3.925 20 0 CHADMN CC(C)C(C)(C)[NH2+]Cc1cccc([O-])c1Br ZINC000560588348 327327341 /nfs/dbraw/zinc/32/73/41/327327341.db2.gz JHXBYQUWWUCIBF-UHFFFAOYSA-N 0 1 286.213 3.679 20 0 CHADMN FC[C@H]1CCCN1Cc1ccc(-c2ccccc2)o1 ZINC000560611109 327331241 /nfs/dbraw/zinc/33/12/41/327331241.db2.gz CRRXZNOVYNTGBH-CQSZACIVSA-N 0 1 259.324 3.881 20 0 CHADMN CCC[C@@]1(C)CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000566359989 327335621 /nfs/dbraw/zinc/33/56/21/327335621.db2.gz NKNLGEYVCXMNSV-WBVHZDCISA-N 0 1 293.382 3.854 20 0 CHADMN CC(C)CC[C@H]1CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000566362941 327337880 /nfs/dbraw/zinc/33/78/80/327337880.db2.gz XQOPMOOJHLSHLH-CYBMUJFWSA-N 0 1 281.421 3.847 20 0 CHADMN C[N@H+](Cc1ccc(Cl)cn1)C[C@H]1CC=CCC1 ZINC000583404547 327347405 /nfs/dbraw/zinc/34/74/05/327347405.db2.gz ZNGJBEURVQPHPM-LBPRGKRZSA-N 0 1 250.773 3.523 20 0 CHADMN Cc1ccc(C)c([C@@H](C)NCc2ncccc2N(C)C)c1 ZINC000583410936 327349770 /nfs/dbraw/zinc/34/97/70/327349770.db2.gz MOPSYZRBDREYHM-OAHLLOKOSA-N 0 1 283.419 3.615 20 0 CHADMN C[N@@H+](CC[C@@H](C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000574816322 327382272 /nfs/dbraw/zinc/38/22/72/327382272.db2.gz JPLFRKMOAUWBSG-MRXNPFEDSA-N 0 1 275.392 3.509 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCC(=O)[O-] ZINC000569622896 327382577 /nfs/dbraw/zinc/38/25/77/327382577.db2.gz LNMNXOQPJNBAEP-GFCCVEGCSA-N 0 1 290.190 3.851 20 0 CHADMN C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000569623319 327384063 /nfs/dbraw/zinc/38/40/63/327384063.db2.gz OPMWERMHRJVVMY-VXGBXAGGSA-N 0 1 279.355 3.534 20 0 CHADMN COC[C@H]1CCN1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000561322577 327385568 /nfs/dbraw/zinc/38/55/68/327385568.db2.gz XYGFPYHIUNJEKK-CQSZACIVSA-N 0 1 291.778 3.821 20 0 CHADMN COc1cc(CN[C@@H]2CSc3ccccc32)ccc1C ZINC000561327398 327386155 /nfs/dbraw/zinc/38/61/55/327386155.db2.gz KREBGOTVYUJKAN-OAHLLOKOSA-N 0 1 285.412 3.940 20 0 CHADMN C[C@@H](CNCc1cocn1)c1ccc(C(F)(F)F)cc1 ZINC000561953027 327433112 /nfs/dbraw/zinc/43/31/12/327433112.db2.gz AYTSZTFCWYQRQE-JTQLQIEISA-N 0 1 284.281 3.587 20 0 CHADMN Fc1ccc(/C=C/CN2CCC(C(F)F)CC2)cc1F ZINC000561948851 327433576 /nfs/dbraw/zinc/43/35/76/327433576.db2.gz IYNKHBSXLGVCSR-OWOJBTEDSA-N 0 1 287.300 3.955 20 0 CHADMN C[C@@H]1Oc2cc(F)ccc2[C@H]1N[C@@H]1CCc2ccccc21 ZINC000562060305 327445890 /nfs/dbraw/zinc/44/58/90/327445890.db2.gz WRPPQOHDJPTEOX-LSKLOWJMSA-N 0 1 283.346 3.925 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@H]2CC3CCC2CC3)n1 ZINC000562414268 327479744 /nfs/dbraw/zinc/47/97/44/327479744.db2.gz PKDSRQHSBXTKBT-XVSSEFHLSA-N 0 1 295.452 3.552 20 0 CHADMN CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1ccccc1 ZINC000294190561 327485470 /nfs/dbraw/zinc/48/54/70/327485470.db2.gz SKWZTWSXOBBDGE-AEGPPILISA-N 0 1 255.365 3.630 20 0 CHADMN CCc1cccnc1[C@@H](C)NC1(c2ccccc2)CC1 ZINC000507464057 332807261 /nfs/dbraw/zinc/80/72/61/332807261.db2.gz WHKBHBYUYDCKKZ-CQSZACIVSA-N 0 1 266.388 3.984 20 0 CHADMN Cc1cc(CN[C@@H]2CCSc3c(F)cccc32)ccn1 ZINC000336233763 327544279 /nfs/dbraw/zinc/54/42/79/327544279.db2.gz GYONHTWMVQBSBD-OAHLLOKOSA-N 0 1 288.391 3.856 20 0 CHADMN Fc1cccc(CNCc2cccc3cccnc32)c1F ZINC000113427561 328617113 /nfs/dbraw/zinc/61/71/13/328617113.db2.gz PMGLKZVJHCNHHC-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)C(C)(C)C)c1nccn1C ZINC000070444223 328649343 /nfs/dbraw/zinc/64/93/43/328649343.db2.gz ISHTVEMHBWRRGZ-HIFRSBDPSA-N 0 1 271.408 3.858 20 0 CHADMN CC1(C)CC(CN[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000527349847 328661848 /nfs/dbraw/zinc/66/18/48/328661848.db2.gz IEKGJVMXGKLIHP-HNNXBMFYSA-N 0 1 269.392 3.525 20 0 CHADMN C[C@H](NCCc1ccc(OC(F)F)cc1)c1cscn1 ZINC000536628435 328670851 /nfs/dbraw/zinc/67/08/51/328670851.db2.gz LRXDTPWZNHMEGK-JTQLQIEISA-N 0 1 298.358 3.638 20 0 CHADMN CC[C@@H](C(=O)Nc1cccc(Nc2ccccc2)c1)N(C)C ZINC000125205577 328693714 /nfs/dbraw/zinc/69/37/14/328693714.db2.gz ADMMWHFGMAKSAM-KRWDZBQOSA-N 0 1 297.402 3.709 20 0 CHADMN COCC1(NCc2ccc(-c3ccc(F)cc3C)o2)CC1 ZINC000532212787 328707951 /nfs/dbraw/zinc/70/79/51/328707951.db2.gz AKLJURJJUOQSPD-UHFFFAOYSA-N 0 1 289.350 3.663 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@@H](C)c2cnn(C(C)C)c2)cn1 ZINC000532229543 328708965 /nfs/dbraw/zinc/70/89/65/328708965.db2.gz SFFQASHDRVHKAK-OKILXGFUSA-N 0 1 289.427 3.653 20 0 CHADMN Fc1cc(CN2C[C@@H]3CCC[C@H]3C2)ccc1Br ZINC000532312955 328716103 /nfs/dbraw/zinc/71/61/03/328716103.db2.gz HIWLTCSMIVCVIB-RYUDHWBXSA-N 0 1 298.199 3.820 20 0 CHADMN CC(C)(CNC(=O)c1ccc(O)c(Cl)c1)C1CCC1 ZINC000395362621 328736587 /nfs/dbraw/zinc/73/65/87/328736587.db2.gz JPKJEZMMAOZTQW-UHFFFAOYSA-N 0 1 281.783 3.602 20 0 CHADMN Fc1cccc2c1OCC[C@H]2NCc1cccs1 ZINC000336405889 328752162 /nfs/dbraw/zinc/75/21/62/328752162.db2.gz NOCNLUVMSNDRRP-CYBMUJFWSA-N 0 1 263.337 3.501 20 0 CHADMN CCc1cc(CN[C@@H]2CC[C@H](C)c3ccccc32)on1 ZINC000532517042 328785983 /nfs/dbraw/zinc/78/59/83/328785983.db2.gz PZYMOSDEVKJNMS-YVEFUNNKSA-N 0 1 270.376 3.965 20 0 CHADMN CN(C)c1ccccc1CNC1(c2ccc(F)cc2)CC1 ZINC000532723783 328807437 /nfs/dbraw/zinc/80/74/37/328807437.db2.gz RSSMRCNENCNVNX-UHFFFAOYSA-N 0 1 284.378 3.671 20 0 CHADMN C[C@H](NCc1nc(C2CCCC2)no1)C1CCCCC1 ZINC000182689339 328822396 /nfs/dbraw/zinc/82/23/96/328822396.db2.gz JCVCYIJNYYPZFT-LBPRGKRZSA-N 0 1 277.412 3.786 20 0 CHADMN Cc1ccsc1[C@@H](CO)N[C@@H](C)c1cccc(F)c1 ZINC000358385057 328883468 /nfs/dbraw/zinc/88/34/68/328883468.db2.gz QQZUKCCRXXYODP-SMDDNHRTSA-N 0 1 279.380 3.580 20 0 CHADMN c1c2ccccc2[nH]c1CN1CCC[C@H]1c1ccncc1 ZINC000377701318 329025652 /nfs/dbraw/zinc/02/56/52/329025652.db2.gz SQFPOAPNCLHVBD-SFHVURJKSA-N 0 1 277.371 3.900 20 0 CHADMN Cc1ccc([C@@H]2CCN([C@@H](C)c3nc(C4CC4)no3)C2)cc1 ZINC000378650298 329058277 /nfs/dbraw/zinc/05/82/77/329058277.db2.gz LXEIYBSMECJCQA-XJKSGUPXSA-N 0 1 297.402 3.806 20 0 CHADMN C[C@H](SCc1n[nH]c(C2CC2)n1)c1ccc(F)c(F)c1 ZINC000193622361 329060230 /nfs/dbraw/zinc/06/02/30/329060230.db2.gz WKHBMJKTRRNLQH-QMMMGPOBSA-N 0 1 295.358 3.955 20 0 CHADMN Fc1cccc(CCCSCc2n[nH]c(C3CC3)n2)c1 ZINC000193713348 329061231 /nfs/dbraw/zinc/06/12/31/329061231.db2.gz WLTLWPWQAWCZOX-UHFFFAOYSA-N 0 1 291.395 3.687 20 0 CHADMN Fc1c(Cl)cccc1CSCc1n[nH]c(C2CC2)n1 ZINC000193730841 329061534 /nfs/dbraw/zinc/06/15/34/329061534.db2.gz FQDFMLJVEXTRKU-UHFFFAOYSA-N 0 1 297.786 3.908 20 0 CHADMN Fc1ccc(Cl)cc1CSCc1n[nH]c(C2CC2)n1 ZINC000193733509 329061588 /nfs/dbraw/zinc/06/15/88/329061588.db2.gz ZXZGSSOEBVZMOB-UHFFFAOYSA-N 0 1 297.786 3.908 20 0 CHADMN C=Cn1cc(CN(Cc2ccoc2)C2CCCCC2)cn1 ZINC000193988006 329064539 /nfs/dbraw/zinc/06/45/39/329064539.db2.gz HKUWSQQAMSRICL-UHFFFAOYSA-N 0 1 285.391 3.912 20 0 CHADMN c1cn2cc(CNC3(c4ccccc4)CCC3)nc2s1 ZINC000170907857 329072149 /nfs/dbraw/zinc/07/21/49/329072149.db2.gz SOJYTDMTSKMXLF-UHFFFAOYSA-N 0 1 283.400 3.565 20 0 CHADMN CCS[C@H]1CCCCN(Cc2ccn(C(C)C)n2)C1 ZINC000172015662 329083314 /nfs/dbraw/zinc/08/33/14/329083314.db2.gz LRMYWSSQTCPGNG-HNNXBMFYSA-N 0 1 281.469 3.572 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccc(C)cc2)nc1 ZINC000393286192 329085177 /nfs/dbraw/zinc/08/51/77/329085177.db2.gz JGHQSTUDBQDCCJ-AWEZNQCLSA-N 0 1 254.377 3.803 20 0 CHADMN C[C@@H]1CCCC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000582551503 329106259 /nfs/dbraw/zinc/10/62/59/329106259.db2.gz IUXKXKSAFHLMFQ-LLVKDONJSA-N 0 1 281.783 3.660 20 0 CHADMN Cc1ccc(C[N@@H+](CC2(CC(=O)[O-])CC2)C(C)C)s1 ZINC000582551740 329106450 /nfs/dbraw/zinc/10/64/50/329106450.db2.gz MWHOWFNZSQWOFE-UHFFFAOYSA-N 0 1 281.421 3.522 20 0 CHADMN CC1(C)CCC[C@H](C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)C1 ZINC000582533911 329108205 /nfs/dbraw/zinc/10/82/05/329108205.db2.gz IALFFNUNVKPYED-FZKCQIBNSA-N 0 1 293.451 3.921 20 0 CHADMN CC[C@@H](C)C[N@@H+](C)Cc1cccc(C(=O)[O-])c1Cl ZINC000394252044 329112169 /nfs/dbraw/zinc/11/21/69/329112169.db2.gz DIYLRCSRLSBJKH-SNVBAGLBSA-N 0 1 269.772 3.516 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCCCC(=O)[O-] ZINC000582730832 329132436 /nfs/dbraw/zinc/13/24/36/329132436.db2.gz VIBVUVSHCYJISX-HOCLYGCPSA-N 0 1 275.392 3.509 20 0 CHADMN Cc1oc2ccccc2c1CN[C@@H](C)c1cncnc1C ZINC000582736377 329133927 /nfs/dbraw/zinc/13/39/27/329133927.db2.gz YFARLBGFDRLAHF-NSHDSACASA-N 0 1 281.359 3.690 20 0 CHADMN CCn1ccnc1C[N@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000172549448 329137314 /nfs/dbraw/zinc/13/73/14/329137314.db2.gz BYWLCLZLTLSMOK-HOTGVXAUSA-N 0 1 283.419 3.589 20 0 CHADMN Cc1cnc(CN2CCC[C@H](c3nc4ccccc4o3)C2)o1 ZINC000173202992 329143782 /nfs/dbraw/zinc/14/37/82/329143782.db2.gz MJYCDLAYWYOLNG-ZDUSSCGKSA-N 0 1 297.358 3.504 20 0 CHADMN Cc1ccc(F)c(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000582757215 329147472 /nfs/dbraw/zinc/14/74/72/329147472.db2.gz BZTRZCRBHTVOGS-JKSUJKDBSA-N 0 1 277.383 3.524 20 0 CHADMN c1c(CN2CCCC3(C2)CCCCCC3)nc2ncccn12 ZINC000173765842 329152056 /nfs/dbraw/zinc/15/20/56/329152056.db2.gz HGZDZKOFHSIPJQ-UHFFFAOYSA-N 0 1 298.434 3.666 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2F)N(Cc2ccccn2)C1 ZINC000174041784 329153566 /nfs/dbraw/zinc/15/35/66/329153566.db2.gz STKOSUSAKXWLBR-SUMWQHHRSA-N 0 1 270.351 3.804 20 0 CHADMN CC(C)C[C@H]1CCN(Cc2cncc(Br)c2)C1 ZINC000307787193 329158507 /nfs/dbraw/zinc/15/85/07/329158507.db2.gz OBFJFFTZTPHEAW-GFCCVEGCSA-N 0 1 297.240 3.712 20 0 CHADMN CO[C@H](C)c1nc(CN(C)[C@H]2CCC[C@@H](C)C2)cs1 ZINC000175095722 329162788 /nfs/dbraw/zinc/16/27/88/329162788.db2.gz SIANJEIVHQHXMK-BZPMIXESSA-N 0 1 282.453 3.861 20 0 CHADMN CC[C@@H](C)CN(CC)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000177850079 329193126 /nfs/dbraw/zinc/19/31/26/329193126.db2.gz QVMTUEBWLODFMG-ZIAGYGMSSA-N 0 1 297.443 3.671 20 0 CHADMN CCOc1ccc2c(c1)[C@@H](NCc1ccccc1)CCO2 ZINC000178142982 329196798 /nfs/dbraw/zinc/19/67/98/329196798.db2.gz WAXUMAYQSICEGV-KRWDZBQOSA-N 0 1 283.371 3.699 20 0 CHADMN CCC(C)(C)[C@@H]1CCCN1Cc1nccn1C(F)F ZINC000178905433 329202972 /nfs/dbraw/zinc/20/29/72/329202972.db2.gz ZOEBDIWXBGJETF-NSHDSACASA-N 0 1 271.355 3.679 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC2(CC2)c2ccccc21 ZINC000179403221 329205306 /nfs/dbraw/zinc/20/53/06/329205306.db2.gz OEDIWAXKBRWMQF-UHFFFAOYSA-N 0 1 295.386 3.534 20 0 CHADMN C[C@H](c1cccc(Cl)c1)N(C)Cc1n[nH]c(C2CC2)n1 ZINC000180410742 329216032 /nfs/dbraw/zinc/21/60/32/329216032.db2.gz YXVQKNPXLRRUMA-SNVBAGLBSA-N 0 1 290.798 3.529 20 0 CHADMN Cc1cnc(CN2CCC[C@H]2Cc2cccc(F)c2)s1 ZINC000180438783 329217133 /nfs/dbraw/zinc/21/71/33/329217133.db2.gz MQMQWYMKFBZZML-HNNXBMFYSA-N 0 1 290.407 3.798 20 0 CHADMN Cc1cc(C)cc(C[N@@H+](Cc2cccnc2)C2CC2)c1 ZINC000180277987 329219394 /nfs/dbraw/zinc/21/93/94/329219394.db2.gz YDKPQBXQKSLIPN-UHFFFAOYSA-N 0 1 266.388 3.863 20 0 CHADMN Cc1cc(C)cc(CN(Cc2cccnc2)C2CC2)c1 ZINC000180277987 329219396 /nfs/dbraw/zinc/21/93/96/329219396.db2.gz YDKPQBXQKSLIPN-UHFFFAOYSA-N 0 1 266.388 3.863 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2cnn(C)c2)ccc1Cl ZINC000180659323 329221527 /nfs/dbraw/zinc/22/15/27/329221527.db2.gz FUPXUSKRNRJAJG-LBPRGKRZSA-N 0 1 277.799 3.575 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000181545125 329234323 /nfs/dbraw/zinc/23/43/23/329234323.db2.gz CWFMSAKCAQEFMY-AWEZNQCLSA-N 0 1 281.783 3.732 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000181575396 329234651 /nfs/dbraw/zinc/23/46/51/329234651.db2.gz YNCCQHMOUHGFES-UHFFFAOYSA-N 0 1 299.370 3.560 20 0 CHADMN CO[C@@H](C)CN(Cc1ccco1)Cc1ccc(C)s1 ZINC000182088561 329236650 /nfs/dbraw/zinc/23/66/50/329236650.db2.gz XWWYBCJWRGJIQX-LBPRGKRZSA-N 0 1 279.405 3.687 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000182066697 329239195 /nfs/dbraw/zinc/23/91/95/329239195.db2.gz CKFPRBGRGFTTQJ-AWEZNQCLSA-N 0 1 296.414 3.988 20 0 CHADMN Cc1cccc(C2=CC[N@@H+](Cc3ccc(CO)cc3)CC2)c1 ZINC000183014609 329246316 /nfs/dbraw/zinc/24/63/16/329246316.db2.gz PTVRGYPOVTXQEY-UHFFFAOYSA-N 0 1 293.410 3.777 20 0 CHADMN Cc1cc(CN(C)Cc2ccncc2)ccc1Cl ZINC000183739310 329249949 /nfs/dbraw/zinc/24/99/49/329249949.db2.gz LFPONALQNITILO-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN CCC[C@H](C(=O)Nc1nc(C2CCC2)n[nH]1)c1ccccc1 ZINC000184621606 329261197 /nfs/dbraw/zinc/26/11/97/329261197.db2.gz IZNKQQWTIGOTKA-AWEZNQCLSA-N 0 1 298.390 3.595 20 0 CHADMN CCC[C@H](C(=O)Nc1n[nH]c(C2CCC2)n1)c1ccccc1 ZINC000184621606 329261199 /nfs/dbraw/zinc/26/11/99/329261199.db2.gz IZNKQQWTIGOTKA-AWEZNQCLSA-N 0 1 298.390 3.595 20 0 CHADMN CCOC(C[N@H+]1CCCCC[C@@H]1c1ccco1)OCC ZINC000184972892 329266220 /nfs/dbraw/zinc/26/62/20/329266220.db2.gz SQEFPFDEXBYQHA-CQSZACIVSA-N 0 1 281.396 3.596 20 0 CHADMN CC(C)C[C@@H]1OCCC[C@H]1NCc1csc(C(C)C)n1 ZINC000185191990 329267284 /nfs/dbraw/zinc/26/72/84/329267284.db2.gz FNWQJYIBUUKNSZ-CABCVRRESA-N 0 1 296.480 3.950 20 0 CHADMN CC[C@@H](O)[C@@H]1CCCCN1Cc1ccc(F)c(Cl)c1 ZINC000530336284 329274541 /nfs/dbraw/zinc/27/45/41/329274541.db2.gz AOBMVUJNTDAZFL-LSDHHAIUSA-N 0 1 285.790 3.605 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccc3occc3c1)CO2 ZINC000582836410 329275899 /nfs/dbraw/zinc/27/58/99/329275899.db2.gz GMIWUQYEHMVDCC-MRXNPFEDSA-N 0 1 279.339 3.965 20 0 CHADMN COc1ccc(CNCc2ccc(SC)s2)cc1F ZINC000582933806 329286366 /nfs/dbraw/zinc/28/63/66/329286366.db2.gz PUMZXRDVSLRHEP-UHFFFAOYSA-N 0 1 297.420 3.908 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccsc2C(=O)[O-])[C@H]2CCCC[C@H]12 ZINC000582908859 329287016 /nfs/dbraw/zinc/28/70/16/329287016.db2.gz AHUVFNQAMXQITN-BNOWGMLFSA-N 0 1 293.432 3.847 20 0 CHADMN C[C@H]1CCC[N@H+]1[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000582909898 329287025 /nfs/dbraw/zinc/28/70/25/329287025.db2.gz ZPFWUNOLYVDLRW-QPUJVOFHSA-N 0 1 288.174 3.603 20 0 CHADMN COc1ccc(CNCc2ccc(F)c(F)c2)cc1Cl ZINC000086585786 332851014 /nfs/dbraw/zinc/85/10/14/332851014.db2.gz AKAFOHUEGQHWBO-UHFFFAOYSA-N 0 1 297.732 3.917 20 0 CHADMN CC1(C[N@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])CCC1 ZINC000583036234 329306166 /nfs/dbraw/zinc/30/61/66/329306166.db2.gz DYKLBLIKKAZBKK-GJZGRUSLSA-N 0 1 279.424 3.532 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000583148098 329322592 /nfs/dbraw/zinc/32/25/92/329322592.db2.gz VUUUWJYUWPDGGN-MNOVXSKESA-N 0 1 291.372 3.937 20 0 CHADMN CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(O)cc(F)c1 ZINC000186183277 329338958 /nfs/dbraw/zinc/33/89/58/329338958.db2.gz LBZLLNZNYUYDRR-UHFFFAOYSA-N 0 1 289.350 3.562 20 0 CHADMN FC(F)(F)COCCC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186177049 329339076 /nfs/dbraw/zinc/33/90/76/329339076.db2.gz HQCOMLXPFCYBMM-UHFFFAOYSA-N 0 1 299.336 3.503 20 0 CHADMN CCc1noc([C@@H](C)N2CCC(CC)(CC)CC2)n1 ZINC000186538267 329345115 /nfs/dbraw/zinc/34/51/15/329345115.db2.gz PCXSARCMHQBVOQ-GFCCVEGCSA-N 0 1 265.401 3.595 20 0 CHADMN Cc1ccc(C[N@@H+](C)Cc2cccc(Cl)c2)c(C)n1 ZINC000186574566 329345732 /nfs/dbraw/zinc/34/57/32/329345732.db2.gz YERBLEBYNZRXOP-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(Cl)c2)c(C)n1 ZINC000186574566 329345734 /nfs/dbraw/zinc/34/57/34/329345734.db2.gz YERBLEBYNZRXOP-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1ccc(CN(C)[C@H](C)c2cccs2)c(C)n1 ZINC000186681126 329347295 /nfs/dbraw/zinc/34/72/95/329347295.db2.gz NCQBQMFMDYRRSE-CYBMUJFWSA-N 0 1 260.406 3.953 20 0 CHADMN Fc1ccc(-c2cnc(CN3CCCC4(CC4)C3)o2)cc1 ZINC000186967546 329352557 /nfs/dbraw/zinc/35/25/57/329352557.db2.gz RIKGSTOVOBBVER-UHFFFAOYSA-N 0 1 286.350 3.857 20 0 CHADMN CCCc1cccc(CN(C)Cc2cccnc2)c1 ZINC000187366137 329355816 /nfs/dbraw/zinc/35/58/16/329355816.db2.gz HYYJOIOYGKIQIJ-UHFFFAOYSA-N 0 1 254.377 3.666 20 0 CHADMN Clc1ccc(NCc2n[nH]c(C3CC3)n2)cc1Cl ZINC000187398821 329357103 /nfs/dbraw/zinc/35/71/03/329357103.db2.gz NUYUVJDHHYFLPF-UHFFFAOYSA-N 0 1 283.162 3.601 20 0 CHADMN C[C@@H]1CCCCN(Cc2nccn2Cc2ccccc2)C1 ZINC000187932654 329361567 /nfs/dbraw/zinc/36/15/67/329361567.db2.gz LIGPXQZUYSMSMZ-MRXNPFEDSA-N 0 1 283.419 3.553 20 0 CHADMN CCO[C@H](C)c1nc(CN2CCCC[C@H](C)C2)cs1 ZINC000187978642 329364549 /nfs/dbraw/zinc/36/45/49/329364549.db2.gz VJTAXFBAHKGQTB-QWHCGFSZSA-N 0 1 282.453 3.863 20 0 CHADMN OC[C@H](NC1CCCCC1)c1c(Cl)cccc1Cl ZINC000038111293 329368490 /nfs/dbraw/zinc/36/84/90/329368490.db2.gz ZCQINANKQVWUNR-ZDUSSCGKSA-N 0 1 288.218 3.949 20 0 CHADMN Cn1ccnc1[C@H](NCc1ccc(C2CC2)cc1)C1CC1 ZINC000188725425 329370666 /nfs/dbraw/zinc/37/06/66/329370666.db2.gz XPSPZIFZUPKASS-QGZVFWFLSA-N 0 1 281.403 3.538 20 0 CHADMN Cc1cccc2c1OCC[C@H]2N[C@H](C)c1ccoc1 ZINC000189377632 329380378 /nfs/dbraw/zinc/38/03/78/329380378.db2.gz NZEJVVBFRQGTES-IUODEOHRSA-N 0 1 257.333 3.762 20 0 CHADMN COc1ccccc1CN[C@H]1CCCc2c(O)cccc21 ZINC000191657181 329416328 /nfs/dbraw/zinc/41/63/28/329416328.db2.gz VQCLKESOPAHUOZ-INIZCTEOSA-N 0 1 283.371 3.568 20 0 CHADMN CCN(CC)[C@H](C(=O)Nc1ccsc1)c1ccccc1 ZINC000125163417 329578461 /nfs/dbraw/zinc/57/84/61/329578461.db2.gz KFPJTSGNMLDQMK-HNNXBMFYSA-N 0 1 288.416 3.770 20 0 CHADMN C[C@@H](NCc1ccc(Cl)c(F)c1)c1cccnc1 ZINC000043388488 329581202 /nfs/dbraw/zinc/58/12/02/329581202.db2.gz MMSSWRPOSWHONF-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN CC[C@H](NCc1ccsc1)c1ccc(F)cn1 ZINC000131324081 329635076 /nfs/dbraw/zinc/63/50/76/329635076.db2.gz YTQKPYZJKKDTKB-LBPRGKRZSA-N 0 1 250.342 3.523 20 0 CHADMN Cc1[nH]c2ccc(CNCc3ccco3)cc2c1C ZINC000049155280 329635426 /nfs/dbraw/zinc/63/54/26/329635426.db2.gz DAWSXIUZADZOFK-UHFFFAOYSA-N 0 1 254.333 3.668 20 0 CHADMN [O-]c1cccc(C[NH2+]CC2CCCCC2)c1Cl ZINC000393241773 329686946 /nfs/dbraw/zinc/68/69/46/329686946.db2.gz OUIYYWUZQYICAG-UHFFFAOYSA-N 0 1 253.773 3.716 20 0 CHADMN OCc1cccc(CNCc2ccc(-c3ccccc3)o2)c1 ZINC000237988041 329695189 /nfs/dbraw/zinc/69/51/89/329695189.db2.gz LEDZIDFSFVULGE-UHFFFAOYSA-N 0 1 293.366 3.729 20 0 CHADMN Cc1cc(CN[C@H]2c3ccccc3O[C@H]2C)c(C)s1 ZINC000564123116 329697604 /nfs/dbraw/zinc/69/76/04/329697604.db2.gz DRFLCBZGNUPJRZ-MEDUHNTESA-N 0 1 273.401 3.977 20 0 CHADMN CC[C@@H](CN[C@@H](C)c1nc(C(C)(C)C)cs1)OC ZINC000419252538 329714565 /nfs/dbraw/zinc/71/45/65/329714565.db2.gz VPGFSCXDQSDUHC-QWRGUYRKSA-N 0 1 270.442 3.516 20 0 CHADMN FC1(F)CCC12CN(Cc1cccc(C3CC3)c1)C2 ZINC000421356260 329815737 /nfs/dbraw/zinc/81/57/37/329815737.db2.gz KTAQZHHXTWYOQF-UHFFFAOYSA-N 0 1 263.331 3.795 20 0 CHADMN CC(C)=CCC[C@@H](C)NCc1nn(C)c(C)c1Cl ZINC000421390078 329820011 /nfs/dbraw/zinc/82/00/11/329820011.db2.gz ZHZYAFDVRDRZFS-LLVKDONJSA-N 0 1 269.820 3.606 20 0 CHADMN Cc1c(Cl)c(CN[C@@H](C)CCC(C)(C)C)nn1C ZINC000421367297 329823964 /nfs/dbraw/zinc/82/39/64/329823964.db2.gz SLWIWWKALCYJTI-JTQLQIEISA-N 0 1 271.836 3.686 20 0 CHADMN C[C@@H]1[C@H](NCc2noc3c2CCCC3)C[C@H]1c1ccccc1 ZINC000571722756 329913311 /nfs/dbraw/zinc/91/33/11/329913311.db2.gz PWQYYUURYVGQCM-IAOVAPTHSA-N 0 1 296.414 3.835 20 0 CHADMN CCC[C@@H]1CCCC[C@@H]1NCc1nc(C(C)C)no1 ZINC000548160383 329940213 /nfs/dbraw/zinc/94/02/13/329940213.db2.gz DEQOKCMRTFVRGJ-OLZOCXBDSA-N 0 1 265.401 3.642 20 0 CHADMN CCc1cnc(CN[C@@H]2CCC[C@@H]2CCC(C)C)o1 ZINC000572184081 329953017 /nfs/dbraw/zinc/95/30/17/329953017.db2.gz XFPVZHNATGOSLZ-UKRRQHHQSA-N 0 1 264.413 3.932 20 0 CHADMN CCCc1cc(-c2nc(C3(N)CCCC3)no2)sc1C ZINC000261724783 329979796 /nfs/dbraw/zinc/97/97/96/329979796.db2.gz JSZXVSVOTOBQGB-UHFFFAOYSA-N 0 1 291.420 3.787 20 0 CHADMN CCC[N@@H+](CCCC(=O)[O-])[C@H](CC)c1ccccc1 ZINC000262285294 330004253 /nfs/dbraw/zinc/00/42/53/330004253.db2.gz WOUNQUOVFHDTLP-OAHLLOKOSA-N 0 1 263.381 3.715 20 0 CHADMN COc1cc(CNC2(CF)CCC2)cc2ccccc21 ZINC000572363215 330004278 /nfs/dbraw/zinc/00/42/78/330004278.db2.gz OLUYXGRPFGCELS-UHFFFAOYSA-N 0 1 273.351 3.830 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000262286070 330004336 /nfs/dbraw/zinc/00/43/36/330004336.db2.gz WSLFGVJJNIDFMB-OAHLLOKOSA-N 0 1 267.413 3.676 20 0 CHADMN CCC(C)(C)CC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000262466577 330015055 /nfs/dbraw/zinc/01/50/55/330015055.db2.gz GIFPMEBGGROZQX-MCIONIFRSA-N 0 1 267.413 3.530 20 0 CHADMN Cc1ccc([C@@H](N)C(=O)N(C)c2ccc(C(C)C)cc2)cc1 ZINC000262682367 330026673 /nfs/dbraw/zinc/02/66/73/330026673.db2.gz WOTLOTTUGNLBEM-GOSISDBHSA-N 0 1 296.414 3.781 20 0 CHADMN COCCOCCN([C@H](C)c1ccccc1Cl)C1CC1 ZINC000079400306 330033591 /nfs/dbraw/zinc/03/35/91/330033591.db2.gz BYAOEJNTIQZNMJ-CYBMUJFWSA-N 0 1 297.826 3.528 20 0 CHADMN CC1CCC(c2noc(-c3cc4cccnc4[nH]3)n2)CC1 ZINC000572384288 330038003 /nfs/dbraw/zinc/03/80/03/330038003.db2.gz PBVZAFNMZVEJTQ-UHFFFAOYSA-N 0 1 282.347 3.907 20 0 CHADMN C[C@@H](C[N@H+]1CCC[C@H](C(=O)[O-])[C@@H]1C)c1cccc(Cl)c1 ZINC000263058578 330041210 /nfs/dbraw/zinc/04/12/10/330041210.db2.gz MAWNECMOHOCDKO-HUBLWGQQSA-N 0 1 295.810 3.629 20 0 CHADMN CC[C@H](CC1CCCCC1)C(=O)N1CCN(C(C)C)CC1 ZINC000510091157 332891749 /nfs/dbraw/zinc/89/17/49/332891749.db2.gz WFYPVCMXINKATP-QGZVFWFLSA-N 0 1 294.483 3.536 20 0 CHADMN C[C@H](C[N@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C)c1cccc(Cl)c1 ZINC000263336204 330052460 /nfs/dbraw/zinc/05/24/60/330052460.db2.gz MMQORZJTMNHJJI-DYEKYZERSA-N 0 1 295.810 3.629 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000263446849 330056324 /nfs/dbraw/zinc/05/63/24/330056324.db2.gz GAWAUPXASFAVAV-SFHVURJKSA-N 0 1 285.387 3.707 20 0 CHADMN CC1CCC([N@@H+](Cc2cccc(C(=O)[O-])c2)C2CC2)CC1 ZINC000263444069 330056345 /nfs/dbraw/zinc/05/63/45/330056345.db2.gz FIZVABAUTPVYDS-UHFFFAOYSA-N 0 1 287.403 3.928 20 0 CHADMN CCCC1CCC(C[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1 ZINC000263456441 330056767 /nfs/dbraw/zinc/05/67/67/330056767.db2.gz AWAACBVHKZODCK-UNGSAITNSA-N 0 1 293.451 3.780 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC23CCCCC3)cc1 ZINC000263489716 330057677 /nfs/dbraw/zinc/05/76/77/330057677.db2.gz QRZDERXQOFEERS-UHFFFAOYSA-N 0 1 273.376 3.684 20 0 CHADMN CC(C)C[C@H](C[N@H+]1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000263512273 330058400 /nfs/dbraw/zinc/05/84/00/330058400.db2.gz NSOSREAHESFUPB-SJLPKXTDSA-N 0 1 289.419 3.613 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263531646 330059167 /nfs/dbraw/zinc/05/91/67/330059167.db2.gz WVFQFSQVUPPUDI-UWWQBHOKSA-N 0 1 293.451 3.780 20 0 CHADMN CC/C=C\CC[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000572414794 330065080 /nfs/dbraw/zinc/06/50/80/330065080.db2.gz MDGNHFRTNVJFPZ-ARJAWSKDSA-N 0 1 275.392 3.710 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)c1c(O)cccc1F ZINC000163622894 330066926 /nfs/dbraw/zinc/06/69/26/330066926.db2.gz TXWCZBMFSPWDGW-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN COc1cc(Cl)ccc1[C@@H](C)NCc1cncc(C)c1 ZINC000421830564 330084482 /nfs/dbraw/zinc/08/44/82/330084482.db2.gz CAXZXFDOXJPVQI-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@H](N[C@@H](c1cccnc1)C1CC1)c1ccncc1Cl ZINC000421833857 330091432 /nfs/dbraw/zinc/09/14/32/330091432.db2.gz JQUXNMVLVFQYDC-MEDUHNTESA-N 0 1 287.794 3.932 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cc(C)nc(C)c1 ZINC000421890576 330096763 /nfs/dbraw/zinc/09/67/63/330096763.db2.gz VLLDSVIOWNCDFE-OAHLLOKOSA-N 0 1 284.403 3.866 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(Cl)cn2)cc(C)n1 ZINC000421860467 330097888 /nfs/dbraw/zinc/09/78/88/330097888.db2.gz TZDAOEYRQZFKEV-GFCCVEGCSA-N 0 1 275.783 3.598 20 0 CHADMN CCCn1cc(CN2CCC[C@@H]2c2cccs2)cn1 ZINC000162698826 330108374 /nfs/dbraw/zinc/10/83/74/330108374.db2.gz UTEPJFVHEREPOA-CQSZACIVSA-N 0 1 275.421 3.692 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c(F)ccc([O-])c1F ZINC000510177429 332896009 /nfs/dbraw/zinc/89/60/09/332896009.db2.gz SYEZFSFCCSLJCX-GHMZBOCLSA-N 0 1 269.335 3.586 20 0 CHADMN CN(CCC1CC1)Cc1sccc1Br ZINC000379632577 330144490 /nfs/dbraw/zinc/14/44/90/330144490.db2.gz OYVCBWGRDFLIFL-UHFFFAOYSA-N 0 1 274.227 3.743 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000422637932 330150629 /nfs/dbraw/zinc/15/06/29/330150629.db2.gz SAJRDEINOCDKPZ-KKUMJFAQSA-N 0 1 269.429 3.636 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc3c2CCCN3)o1 ZINC000423414591 330197676 /nfs/dbraw/zinc/19/76/76/330197676.db2.gz NFWGTNXFVDRCLS-CYBMUJFWSA-N 0 1 270.376 3.797 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(C)cc(N)c2)c(F)c1 ZINC000423490655 330207198 /nfs/dbraw/zinc/20/71/98/330207198.db2.gz XWLZHXZLLHEHLX-LBPRGKRZSA-N 0 1 288.366 3.576 20 0 CHADMN CC(C)C[C@H]1CCCN1Cc1ccc(Br)cn1 ZINC000396802056 330226646 /nfs/dbraw/zinc/22/66/46/330226646.db2.gz AMHNRTJPJBJZAW-CQSZACIVSA-N 0 1 297.240 3.855 20 0 CHADMN COc1cc([C@@H](C)NCc2cnc(C)cc2C)ccc1F ZINC000397015490 330235404 /nfs/dbraw/zinc/23/54/04/330235404.db2.gz GJTWVUPXAKBHDA-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cnc(C)cc1C ZINC000397020827 330236323 /nfs/dbraw/zinc/23/63/23/330236323.db2.gz HRSYYSTXYOIXTA-OAHLLOKOSA-N 0 1 284.403 3.866 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnc(C)cc2C)c(C)o1 ZINC000397057455 330237348 /nfs/dbraw/zinc/23/73/48/330237348.db2.gz NOPQPNUGPLGIAU-CYBMUJFWSA-N 0 1 258.365 3.759 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2F)N(CC2(F)CC2)C1 ZINC000527219735 330237474 /nfs/dbraw/zinc/23/74/74/330237474.db2.gz AILQUXVQGOWXQI-SMDDNHRTSA-N 0 1 251.320 3.711 20 0 CHADMN CC1(C)C[C@@H](NCC2(F)CC2)c2ccc(F)cc2O1 ZINC000527238318 330240654 /nfs/dbraw/zinc/24/06/54/330240654.db2.gz UBDWOHFVWHGRKW-GFCCVEGCSA-N 0 1 267.319 3.520 20 0 CHADMN CC[C@H](CC(F)(F)F)NCc1ccncc1Cl ZINC000527690364 330279339 /nfs/dbraw/zinc/27/93/39/330279339.db2.gz DNVLWEDRGLTSEU-SECBINFHSA-N 0 1 266.694 3.556 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccc(F)cc2)ccn1 ZINC000527531889 330262430 /nfs/dbraw/zinc/26/24/30/330262430.db2.gz CDERQQQTRWGPJC-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cc(CN(CCC(F)(F)F)CC2CC2)ccn1 ZINC000527534341 330262930 /nfs/dbraw/zinc/26/29/30/330262930.db2.gz LZICCGOYVGLUAL-UHFFFAOYSA-N 0 1 272.314 3.554 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccc(F)c(F)c2)ccn1 ZINC000527535769 330263550 /nfs/dbraw/zinc/26/35/50/330263550.db2.gz VRNCLWPZEZGDHY-LBPRGKRZSA-N 0 1 276.330 3.861 20 0 CHADMN Cc1cc(CN(Cc2cccc(F)c2)C2CC2)ccn1 ZINC000527536022 330263598 /nfs/dbraw/zinc/26/35/98/330263598.db2.gz ZJXYXQQUSNEZKJ-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN Cc1cc(CN2CC=C(c3ccc(F)cc3)CC2)ccn1 ZINC000527536220 330263725 /nfs/dbraw/zinc/26/37/25/330263725.db2.gz YYBMWKLSXZMBMM-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN Cc1ccc(CN2CCC(F)(F)C[C@H]2C)cc1F ZINC000528767249 330264466 /nfs/dbraw/zinc/26/44/66/330264466.db2.gz FZSAEQGYNMILIR-LLVKDONJSA-N 0 1 257.299 3.754 20 0 CHADMN Clc1cnc(CNC2CCCC2)c(Br)c1 ZINC000527628508 330266708 /nfs/dbraw/zinc/26/67/08/330266708.db2.gz BRXMCFKHVVEJQC-UHFFFAOYSA-N 0 1 289.604 3.530 20 0 CHADMN Cc1cccc(OC[C@H](C)NCc2ccncc2Cl)c1 ZINC000527643260 330268834 /nfs/dbraw/zinc/26/88/34/330268834.db2.gz OKWCBPMFGDSVNQ-ZDUSSCGKSA-N 0 1 290.794 3.601 20 0 CHADMN Cc1ccc(CCNCc2c(F)ccc(F)c2Cl)cn1 ZINC000527658531 330273443 /nfs/dbraw/zinc/27/34/43/330273443.db2.gz WRKNWVQIQCLFDP-UHFFFAOYSA-N 0 1 296.748 3.654 20 0 CHADMN Cc1csc(C(C)(C)NCc2ccc3cc[nH]c3c2)n1 ZINC000527661086 330273537 /nfs/dbraw/zinc/27/35/37/330273537.db2.gz JYBNLYNGBHKVSS-UHFFFAOYSA-N 0 1 285.416 3.958 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)[C@@H]1C[C@H]1C1CC1)c1nc(C2CC2)no1 ZINC000527660048 330273649 /nfs/dbraw/zinc/27/36/49/330273649.db2.gz IKKMCHIYCFIMLV-FBUXBERBSA-N 0 1 289.423 3.668 20 0 CHADMN CC[C@@H](CC(F)(F)F)NCc1ccncc1Cl ZINC000527690368 330279308 /nfs/dbraw/zinc/27/93/08/330279308.db2.gz DNVLWEDRGLTSEU-VIFPVBQESA-N 0 1 266.694 3.556 20 0 CHADMN Cc1nc(CN[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cs1 ZINC000527752176 330281149 /nfs/dbraw/zinc/28/11/49/330281149.db2.gz ZHVBLAGFQAWMOK-QLFBSQMISA-N 0 1 290.819 3.533 20 0 CHADMN C[C@H]1CC(F)(F)CCN1CCCC(=O)c1ccccc1 ZINC000528772016 330281274 /nfs/dbraw/zinc/28/12/74/330281274.db2.gz JZONZHGZSTWFSV-ZDUSSCGKSA-N 0 1 281.346 3.769 20 0 CHADMN CCc1ccc(CN[C@@H](c2ccccn2)C2CCC2)cn1 ZINC000527772939 330282257 /nfs/dbraw/zinc/28/22/57/330282257.db2.gz QNLRKGRJUNMVBK-GOSISDBHSA-N 0 1 281.403 3.670 20 0 CHADMN Cc1nc(C)c(CN[C@H](c2ccccn2)C2CCC2)s1 ZINC000527775335 330282366 /nfs/dbraw/zinc/28/23/66/330282366.db2.gz ZQYWDFFAAXONBK-INIZCTEOSA-N 0 1 287.432 3.786 20 0 CHADMN CCc1cccc(Cl)c1CNCc1cccnc1C ZINC000527793173 330283579 /nfs/dbraw/zinc/28/35/79/330283579.db2.gz GTOQZZZMUQZLGP-UHFFFAOYSA-N 0 1 274.795 3.896 20 0 CHADMN Cc1nc(CN(C)C[C@H](C)C2CCCCC2)co1 ZINC000528774095 330284916 /nfs/dbraw/zinc/28/49/16/330284916.db2.gz PWFPGCHDHLVAHJ-LBPRGKRZSA-N 0 1 250.386 3.631 20 0 CHADMN Cc1cccc([C@@H](N[C@H]2CCn3ccnc32)C(C)C)c1 ZINC000527904443 330289719 /nfs/dbraw/zinc/28/97/19/330289719.db2.gz NWLBSMPWVHZHEE-HOTGVXAUSA-N 0 1 269.392 3.623 20 0 CHADMN COc1cccnc1CN[C@H](c1cccc(C)c1)C(C)C ZINC000527907912 330290564 /nfs/dbraw/zinc/29/05/64/330290564.db2.gz YWYFCRKFAMSULH-SFHVURJKSA-N 0 1 284.403 3.886 20 0 CHADMN COc1cccnc1CN[C@@H](c1cccc(C)c1)C(C)C ZINC000527907908 330290583 /nfs/dbraw/zinc/29/05/83/330290583.db2.gz YWYFCRKFAMSULH-GOSISDBHSA-N 0 1 284.403 3.886 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](C)c2cccc(C(C)C)c2)n[nH]1 ZINC000527875953 330291188 /nfs/dbraw/zinc/29/11/88/330291188.db2.gz HDXGXZYSGOCWDN-CHWSQXEVSA-N 0 1 286.423 3.902 20 0 CHADMN CCc1nc([C@H](C)N[C@H](C)c2cccc(C(C)C)c2)n[nH]1 ZINC000527875954 330291233 /nfs/dbraw/zinc/29/12/33/330291233.db2.gz HDXGXZYSGOCWDN-OLZOCXBDSA-N 0 1 286.423 3.902 20 0 CHADMN Cc1ccc(C(=O)CC[N@@H+]2CCC(F)(F)C[C@@H]2C)cc1 ZINC000528775799 330293113 /nfs/dbraw/zinc/29/31/13/330293113.db2.gz ZLQSPGULHWGYJM-ZDUSSCGKSA-N 0 1 281.346 3.687 20 0 CHADMN Cc1ccc(C(=O)CCN2CCC(F)(F)C[C@@H]2C)cc1 ZINC000528775799 330293114 /nfs/dbraw/zinc/29/31/14/330293114.db2.gz ZLQSPGULHWGYJM-ZDUSSCGKSA-N 0 1 281.346 3.687 20 0 CHADMN Cc1ncccc1CN[C@@H](C)c1cnc2ccsc2c1 ZINC000527987546 330298931 /nfs/dbraw/zinc/29/89/31/330298931.db2.gz PJHHDVQGCCVZRH-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN C[C@H](N[C@@H](c1ccccn1)C1CCC1)c1cncs1 ZINC000527961941 330300842 /nfs/dbraw/zinc/30/08/42/330300842.db2.gz CJVMKYMOVNGVHW-XHDPSFHLSA-N 0 1 273.405 3.730 20 0 CHADMN CCCCO[C@@H]1C[C@@H](N[C@@H](C)c2ncccc2F)C1(C)C ZINC000528036456 330302898 /nfs/dbraw/zinc/30/28/98/330302898.db2.gz SRSUHMKWUUNSCB-NWANDNLSSA-N 0 1 294.414 3.855 20 0 CHADMN CC(C)O[C@@]1(C)C[C@H]1N[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000528005524 330303299 /nfs/dbraw/zinc/30/32/99/330303299.db2.gz JWKZSYUXFJCEGJ-VYDXJSESSA-N 0 1 291.439 3.577 20 0 CHADMN C[C@@H](NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(F)cc1F ZINC000528007790 330303648 /nfs/dbraw/zinc/30/36/48/330303648.db2.gz CKCILYRZBGIKBS-DOMZBBRYSA-N 0 1 294.389 3.632 20 0 CHADMN c1nc2cc(-c3noc([C@H]4CCCC45CC5)n3)ccc2[nH]1 ZINC000528128353 330308673 /nfs/dbraw/zinc/30/86/73/330308673.db2.gz RSOZWLXTRPJNBD-LLVKDONJSA-N 0 1 280.331 3.661 20 0 CHADMN CC(C)n1cncc1CN[C@H]1CCCc2c(F)cccc21 ZINC000424168995 330310320 /nfs/dbraw/zinc/31/03/20/330310320.db2.gz GJXIEBGJXMFVPN-KRWDZBQOSA-N 0 1 287.382 3.770 20 0 CHADMN Cc1nc(C)c(CNCc2ccc(F)c(Cl)c2)s1 ZINC000076868333 330317746 /nfs/dbraw/zinc/31/77/46/330317746.db2.gz POEZOQDWNXGSIY-UHFFFAOYSA-N 0 1 284.787 3.842 20 0 CHADMN c1cc(-c2nc(CN[C@@H]3CC34CC4)cs2)cs1 ZINC000424181263 330319162 /nfs/dbraw/zinc/31/91/62/330319162.db2.gz BPAYCDBLPGCNLN-LLVKDONJSA-N 0 1 262.403 3.514 20 0 CHADMN Clc1ccc(CN[C@H]2CC23CC3)c(Br)c1 ZINC000424185954 330320735 /nfs/dbraw/zinc/32/07/35/330320735.db2.gz RLUXYBAFHBYEOA-NSHDSACASA-N 0 1 286.600 3.745 20 0 CHADMN Cc1[nH]c(SCC(F)F)nc1Cc1ccccc1 ZINC000106404820 330337637 /nfs/dbraw/zinc/33/76/37/330337637.db2.gz LGUAGAFZKQKNRO-UHFFFAOYSA-N 0 1 268.332 3.666 20 0 CHADMN Cc1cc([C@H](N[C@@H]2CC23CC3)c2cccnc2)ccc1F ZINC000424321931 330340281 /nfs/dbraw/zinc/34/02/81/330340281.db2.gz KMOXJVUSYWOSHM-SJORKVTESA-N 0 1 282.362 3.761 20 0 CHADMN CC[C@H](Cc1ccccc1C)c1nc(C2(N)CCCC2)no1 ZINC000424334788 330343225 /nfs/dbraw/zinc/34/32/25/330343225.db2.gz GEGSZBWSLIBZBW-CQSZACIVSA-N 0 1 299.418 3.842 20 0 CHADMN CN(Cc1c(Cl)cccc1Cl)C[C@@H]1CCCOC1 ZINC000107686840 330350357 /nfs/dbraw/zinc/35/03/57/330350357.db2.gz YRAUPLPNBIYNSJ-NSHDSACASA-N 0 1 288.218 3.852 20 0 CHADMN CC(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000533247349 330355291 /nfs/dbraw/zinc/35/52/91/330355291.db2.gz SLFWWEVOOJAPME-AWEZNQCLSA-N 0 1 284.403 3.755 20 0 CHADMN Cc1cccc(-c2noc(CN(C)[C@@H](C)C(C)(C)C)n2)c1 ZINC000533250352 330355315 /nfs/dbraw/zinc/35/53/15/330355315.db2.gz APUZJVZOENRHFV-ZDUSSCGKSA-N 0 1 287.407 3.911 20 0 CHADMN C[C@H](c1cccc2ccccc21)N(C)Cc1cc[nH]n1 ZINC000533297633 330357201 /nfs/dbraw/zinc/35/72/01/330357201.db2.gz ASWDQNFRJKWRRK-CYBMUJFWSA-N 0 1 265.360 3.756 20 0 CHADMN CCCCOc1ccc(CNCc2scnc2C)cc1 ZINC000071212613 330363233 /nfs/dbraw/zinc/36/32/33/330363233.db2.gz OPVGAELDUOVHAF-UHFFFAOYSA-N 0 1 290.432 3.920 20 0 CHADMN COc1cc(CN[C@H](C)c2ccc(Cl)c(F)c2)ccn1 ZINC000212737111 330367168 /nfs/dbraw/zinc/36/71/68/330367168.db2.gz XPCIWZXACFMDRH-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000212809752 330367380 /nfs/dbraw/zinc/36/73/80/330367380.db2.gz DEQVHYRPKZHONI-BDJLRTHQSA-N 0 1 293.769 3.863 20 0 CHADMN Cc1csc(C(C)(C)NCCO[C@@H]2CCCC[C@@H]2C)n1 ZINC000118849487 330368147 /nfs/dbraw/zinc/36/81/47/330368147.db2.gz LOZLEXWPZZYWRO-GXTWGEPZSA-N 0 1 296.480 3.872 20 0 CHADMN CCC(CC)(CC)NCc1nc(CCC(C)C)no1 ZINC000118997265 330368683 /nfs/dbraw/zinc/36/86/83/330368683.db2.gz BWNMDDKLOFZDNM-UHFFFAOYSA-N 0 1 267.417 3.717 20 0 CHADMN Cc1cnc(CN2CCC[C@]2(C)Cc2cccc(F)c2)nc1 ZINC000520805366 330369452 /nfs/dbraw/zinc/36/94/52/330369452.db2.gz ZGVDZJMKGWQDTI-GOSISDBHSA-N 0 1 299.393 3.521 20 0 CHADMN CSc1ccc(NC(=O)c2c(O)cccc2F)cc1 ZINC000119102644 330370265 /nfs/dbraw/zinc/37/02/65/330370265.db2.gz DTXBPCCCXVPKSG-UHFFFAOYSA-N 0 1 277.320 3.506 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000086778899 330370931 /nfs/dbraw/zinc/37/09/31/330370931.db2.gz MBSAAIRDUQUSOG-UKRRQHHQSA-N 0 1 281.783 3.588 20 0 CHADMN C[C@H](NCC(=O)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000057382209 330374654 /nfs/dbraw/zinc/37/46/54/330374654.db2.gz VSRIQFOQIHLILQ-LBPRGKRZSA-N 0 1 288.778 3.629 20 0 CHADMN C[C@@H]1CCCC[C@@H]1N(C)Cc1nc(C2CCCC2)no1 ZINC000119977922 330382537 /nfs/dbraw/zinc/38/25/37/330382537.db2.gz XSANKNCXGKIQFL-OCCSQVGLSA-N 0 1 277.412 3.738 20 0 CHADMN C[C@@H](NCc1ccoc1)c1ccc(Br)cc1 ZINC000062103332 330387263 /nfs/dbraw/zinc/38/72/63/330387263.db2.gz BMEREGXNHANKKU-SNVBAGLBSA-N 0 1 280.165 3.893 20 0 CHADMN CC[C@H](NCc1ccccc1OC1CCC1)c1cnn(C)c1 ZINC000090027921 330389924 /nfs/dbraw/zinc/38/99/24/330389924.db2.gz ZXYDGJODESNHFH-KRWDZBQOSA-N 0 1 299.418 3.592 20 0 CHADMN Clc1ccc(CNCc2ccco2)c2ncccc12 ZINC000122991123 330436869 /nfs/dbraw/zinc/43/68/69/330436869.db2.gz KWHFODSYIRBFPO-UHFFFAOYSA-N 0 1 272.735 3.771 20 0 CHADMN C[C@H](N[C@@H]1c2ccc(F)cc2O[C@H]1C)c1ccccc1 ZINC000514959110 330467988 /nfs/dbraw/zinc/46/79/88/330467988.db2.gz FTQJCFBHUHVYBK-PRXAMGSTSA-N 0 1 271.335 3.999 20 0 CHADMN CC(C)n1ccc(CNC/C=C\c2ccc(F)c(F)c2)n1 ZINC000515884310 330484206 /nfs/dbraw/zinc/48/42/06/330484206.db2.gz CJTPKKGISQGMOJ-ARJAWSKDSA-N 0 1 291.345 3.545 20 0 CHADMN Cc1ccc([C@@H]([NH2+]Cc2ccc(Cl)s2)C(=O)[O-])cc1 ZINC000426701121 330514037 /nfs/dbraw/zinc/51/40/37/330514037.db2.gz YCAGBWNDNGJGRG-CYBMUJFWSA-N 0 1 295.791 3.625 20 0 CHADMN COc1ccnc(NCc2ccc(C(F)(F)F)s2)c1 ZINC000428874663 330533741 /nfs/dbraw/zinc/53/37/41/330533741.db2.gz PHLXETMEFNTPFP-UHFFFAOYSA-N 0 1 288.294 3.783 20 0 CHADMN Cc1cnc([C@@H](C)N[C@@H](c2ccc(F)cc2)C(C)C)cn1 ZINC000428981146 330536054 /nfs/dbraw/zinc/53/60/54/330536054.db2.gz PGQUTNJZFIZIAJ-CXAGYDPISA-N 0 1 287.382 3.972 20 0 CHADMN CCCC[C@H](CC)CN[C@@](C)(c1noc(C)n1)C1CC1 ZINC000433308816 330624853 /nfs/dbraw/zinc/62/48/53/330624853.db2.gz VPGFHXSTQKTUJJ-XJKSGUPXSA-N 0 1 279.428 3.809 20 0 CHADMN CCOc1ccc(CN2CCC(C(F)(F)F)CC2)cc1 ZINC000174183156 332993629 /nfs/dbraw/zinc/99/36/29/332993629.db2.gz WHJQEPFIDVTYBI-UHFFFAOYSA-N 0 1 287.325 3.860 20 0 CHADMN C[C@H]1CCC[C@H]1NC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436482201 330678337 /nfs/dbraw/zinc/67/83/37/330678337.db2.gz HSANBUAECCASDD-OIBJUYFYSA-N 0 1 288.174 3.617 20 0 CHADMN CC1(CNC(=O)c2c(O)cc(Cl)cc2Cl)CCC1 ZINC000436591644 330680937 /nfs/dbraw/zinc/68/09/37/330680937.db2.gz XRAIHLDHLYEQOR-UHFFFAOYSA-N 0 1 288.174 3.619 20 0 CHADMN C[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2O)[C@H]1C ZINC000436624912 330681754 /nfs/dbraw/zinc/68/17/54/330681754.db2.gz BNYYREYPOLQXPL-ZJUUUORDSA-N 0 1 289.762 3.679 20 0 CHADMN C[C@@H]1CC[C@@]2(CCN(C(=O)c3ccc(O)c(Cl)c3)C2)C1 ZINC000436726142 330683621 /nfs/dbraw/zinc/68/36/21/330683621.db2.gz WMZYKHXPXZIEOS-BDJLRTHQSA-N 0 1 293.794 3.698 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)CCC2CCCCC2)c1 ZINC000436866824 330686995 /nfs/dbraw/zinc/68/69/95/330686995.db2.gz ACYZVJJSYTZTKM-UHFFFAOYSA-N 0 1 289.375 3.894 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)CCCC(C)(C)C)c1 ZINC000436875692 330687295 /nfs/dbraw/zinc/68/72/95/330687295.db2.gz DUXWBDBTLGEXIB-UHFFFAOYSA-N 0 1 277.364 3.750 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H](c2ccccc2)C1)c1ncn(C)n1 ZINC000438552769 330727125 /nfs/dbraw/zinc/72/71/25/330727125.db2.gz JCQFXCLKEYRRAO-BHYGNILZSA-N 0 1 298.434 3.582 20 0 CHADMN Cc1cnc(CN[C@@H]2CC(C)(C)CCc3ccccc32)cn1 ZINC000440607926 330752347 /nfs/dbraw/zinc/75/23/47/330752347.db2.gz GULUGGNDGMBXJY-GOSISDBHSA-N 0 1 295.430 3.978 20 0 CHADMN Cc1cc(CN[C@@H]2CC(C)(C)CCc3ccccc32)nn1C ZINC000440624963 330752793 /nfs/dbraw/zinc/75/27/93/330752793.db2.gz BSMDECYKEJUAFK-GOSISDBHSA-N 0 1 297.446 3.922 20 0 CHADMN CC[C@@](C)(NCCOc1ccc(F)cc1)c1nccs1 ZINC000440696632 330754547 /nfs/dbraw/zinc/75/45/47/330754547.db2.gz JPMUEJNPOFSGFB-OAHLLOKOSA-N 0 1 294.395 3.576 20 0 CHADMN CC[C@@H](F)CN[C@H](C)c1ccccc1OC(F)F ZINC000440786141 330756347 /nfs/dbraw/zinc/75/63/47/330756347.db2.gz YCIVNTXEJMZMKW-NXEZZACHSA-N 0 1 261.287 3.687 20 0 CHADMN COc1ccc(C2(N[C@H](C)c3cccc(O)c3)CC2)cc1 ZINC000442859551 330787846 /nfs/dbraw/zinc/78/78/46/330787846.db2.gz AMJDSHGRYWCXBN-CYBMUJFWSA-N 0 1 283.371 3.741 20 0 CHADMN C[C@H](NCc1ccnc(OC2CCC2)c1)c1cccc(O)c1 ZINC000442874827 330789590 /nfs/dbraw/zinc/78/95/90/330789590.db2.gz MQGHQFQWGBTQBR-ZDUSSCGKSA-N 0 1 298.386 3.569 20 0 CHADMN C[C@H](c1nc(-c2ccc(F)cc2)no1)N1CCCCCC1 ZINC000443100914 330794915 /nfs/dbraw/zinc/79/49/15/330794915.db2.gz BJDPJHDMWLCQIW-GFCCVEGCSA-N 0 1 289.354 3.813 20 0 CHADMN Cc1nn(C)cc1CN[C@H](C)c1ccccc1C(F)(F)F ZINC000157699716 330798159 /nfs/dbraw/zinc/79/81/59/330798159.db2.gz LGGKTUGBAFTSKQ-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN C=Cn1cc(CN[C@H](C)c2cc3ccccc3o2)cn1 ZINC000194347414 330841846 /nfs/dbraw/zinc/84/18/46/330841846.db2.gz KQZUWWFGIVFVOU-GFCCVEGCSA-N 0 1 267.332 3.581 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2CC(C)(C)C[C@@H]2C)no1 ZINC000446793422 330854198 /nfs/dbraw/zinc/85/41/98/330854198.db2.gz DQTQSJGCCGTJFC-DZGCQCFKSA-N 0 1 299.418 3.959 20 0 CHADMN Cc1ccccc1[C@@H](N[C@@H](C)c1nccnc1C)C1CC1 ZINC000446832572 330855599 /nfs/dbraw/zinc/85/55/99/330855599.db2.gz PCIFJUVNOQHOIP-KSSFIOAISA-N 0 1 281.403 3.895 20 0 CHADMN CC1(C)CC[C@H](N[C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000446924448 330857964 /nfs/dbraw/zinc/85/79/64/330857964.db2.gz GOUGHDYOPDPQTE-LSDHHAIUSA-N 0 1 287.382 3.807 20 0 CHADMN CC1(C)CC[C@H](N[C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000446924446 330857966 /nfs/dbraw/zinc/85/79/66/330857966.db2.gz GOUGHDYOPDPQTE-GJZGRUSLSA-N 0 1 287.382 3.807 20 0 CHADMN CC(C)c1nnc(CNC[C@H](C)c2ccccc2)s1 ZINC000447811194 330877434 /nfs/dbraw/zinc/87/74/34/330877434.db2.gz MSXBUZMJQNDVAV-LBPRGKRZSA-N 0 1 275.421 3.555 20 0 CHADMN COC1(CNCc2ncc(C(C)(C)C)s2)CCCCC1 ZINC000447894323 330879326 /nfs/dbraw/zinc/87/93/26/330879326.db2.gz SHTOSUDRKPWAPE-UHFFFAOYSA-N 0 1 296.480 3.880 20 0 CHADMN Fc1cc2c(c(F)c1F)[C@H](NCc1ccccc1)CC2 ZINC000449060926 330896236 /nfs/dbraw/zinc/89/62/36/330896236.db2.gz FHFILVALSDKHDD-CYBMUJFWSA-N 0 1 277.289 3.881 20 0 CHADMN C[C@H](CC(C)(C)C)NCc1nnc(C(C)(C)C)s1 ZINC000449195447 330905468 /nfs/dbraw/zinc/90/54/68/330905468.db2.gz WJKFEWVEOUBWKP-SNVBAGLBSA-N 0 1 269.458 3.750 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1ccc(C)cc1OC ZINC000449201799 330905936 /nfs/dbraw/zinc/90/59/36/330905936.db2.gz HLFOHEKQJGNJHR-AWEZNQCLSA-N 0 1 284.403 3.812 20 0 CHADMN C[C@H](Cc1ccoc1)N[C@@H]1COc2cccc(Cl)c21 ZINC000449328763 330914900 /nfs/dbraw/zinc/91/49/00/330914900.db2.gz KZWHZMHJZLLWCU-ZWNOBZJWSA-N 0 1 277.751 3.587 20 0 CHADMN CC[C@H](NC1CCC(C(F)(F)F)CC1)C(F)F ZINC000449361063 330918683 /nfs/dbraw/zinc/91/86/83/330918683.db2.gz KLLAMJCNCGZMBL-HACHORDNSA-N 0 1 259.262 3.741 20 0 CHADMN FC1(F)CCCC[C@@H]1CNCc1csc(C2CC2)n1 ZINC000449376320 330920516 /nfs/dbraw/zinc/92/05/16/330920516.db2.gz LKLUAHFTAXBYMF-LLVKDONJSA-N 0 1 286.391 3.936 20 0 CHADMN [O-]c1cccc(C[NH2+]C23CCC(CC2)CC3)c1Cl ZINC000449546022 330935251 /nfs/dbraw/zinc/93/52/51/330935251.db2.gz ZTAROAHBZXGGBW-UHFFFAOYSA-N 0 1 265.784 3.858 20 0 CHADMN CCCc1ncc(CNC/C(C)=C/c2ccccc2)o1 ZINC000449614798 330940030 /nfs/dbraw/zinc/94/00/30/330940030.db2.gz WVSCRHCDXADVSJ-GXDHUFHOSA-N 0 1 270.376 3.820 20 0 CHADMN Cc1cc(C)c(CNCc2cnc(CC(C)C)s2)cn1 ZINC000449735128 330946755 /nfs/dbraw/zinc/94/67/55/330946755.db2.gz PLQQRSRLXFMREY-UHFFFAOYSA-N 0 1 289.448 3.643 20 0 CHADMN CC(F)(F)CCN[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000450602616 330988747 /nfs/dbraw/zinc/98/87/47/330988747.db2.gz XAXVVCVFOJIPGG-HNNXBMFYSA-N 0 1 294.320 3.945 20 0 CHADMN C1=C(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)CCCC1 ZINC000450804759 331000441 /nfs/dbraw/zinc/00/04/41/331000441.db2.gz YYJZWOKHSUJQMM-KRWDZBQOSA-N 0 1 285.435 3.926 20 0 CHADMN Fc1ccc2c(c1)nccc2NCCC[C@H]1CCOC1 ZINC000450890686 331005169 /nfs/dbraw/zinc/00/51/69/331005169.db2.gz WKCBNUHPSULHDV-LBPRGKRZSA-N 0 1 274.339 3.603 20 0 CHADMN COc1cc(CN(C)Cc2cnccc2C)ccc1Cl ZINC000450895829 331005603 /nfs/dbraw/zinc/00/56/03/331005603.db2.gz YZBQBUFLQGZMHD-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN Cc1ccccc1[C@@]1(F)CCN(CCc2cscn2)C1 ZINC000450928995 331007688 /nfs/dbraw/zinc/00/76/88/331007688.db2.gz TVQTWDIPGSANPT-MRXNPFEDSA-N 0 1 290.407 3.565 20 0 CHADMN Cc1oncc1CN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451019383 331011993 /nfs/dbraw/zinc/01/19/93/331011993.db2.gz UXDSJKLWQRRUKP-MRXNPFEDSA-N 0 1 296.374 3.505 20 0 CHADMN Cc1nc(CN2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)oc1C ZINC000451146026 331017439 /nfs/dbraw/zinc/01/74/39/331017439.db2.gz LLVHYMMRIZYHNF-MKPLZMMCSA-N 0 1 290.329 3.843 20 0 CHADMN COC[C@@]1(C)CCN([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000451197563 331020018 /nfs/dbraw/zinc/02/00/18/331020018.db2.gz CTDIEEYUIKPTNV-ABAIWWIYSA-N 0 1 285.790 3.899 20 0 CHADMN CC1(C)OCC[C@@H]1NCc1nc(C2CCCCC2)cs1 ZINC000451245069 331021837 /nfs/dbraw/zinc/02/18/37/331021837.db2.gz SVOKNWWJGUBFMH-AWEZNQCLSA-N 0 1 294.464 3.848 20 0 CHADMN CCO[C@@H]1CCN(Cc2ccc(Cl)c(OC)c2)C[C@@H]1C ZINC000451523123 331032374 /nfs/dbraw/zinc/03/23/74/331032374.db2.gz CKENMJCGOWRMKT-SWLSCSKDSA-N 0 1 297.826 3.596 20 0 CHADMN CCO[C@H]1CCN(Cc2cc(F)ccc2Cl)C[C@H]1C ZINC000451538437 331033044 /nfs/dbraw/zinc/03/30/44/331033044.db2.gz JINIJKPLASRKGL-ABAIWWIYSA-N 0 1 285.790 3.726 20 0 CHADMN CO[C@H]1CCN(CCc2c(F)cccc2Cl)CC1(C)C ZINC000451552405 331033990 /nfs/dbraw/zinc/03/39/90/331033990.db2.gz MSEXSXUDDDBOAL-HNNXBMFYSA-N 0 1 299.817 3.769 20 0 CHADMN CCO[C@H]1CCN(Cc2ccc(Cl)cc2OC)C[C@H]1C ZINC000451551863 331034005 /nfs/dbraw/zinc/03/40/05/331034005.db2.gz YCXOBSGDPSZBSO-DOMZBBRYSA-N 0 1 297.826 3.596 20 0 CHADMN O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1cc(Cl)c(O)cc1F ZINC000451741399 331040836 /nfs/dbraw/zinc/04/08/36/331040836.db2.gz CDRQFFJSVMIRFI-XHNCKOQMSA-N 0 1 283.730 3.559 20 0 CHADMN CC1(C)CC[C@@H](CN2CC3(CCC3)[C@@H]2c2ccco2)O1 ZINC000451849302 331044806 /nfs/dbraw/zinc/04/48/06/331044806.db2.gz HGRRYDKLZBHADX-ZFWWWQNUSA-N 0 1 275.392 3.764 20 0 CHADMN Cc1noc(C)c1CCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451854535 331044836 /nfs/dbraw/zinc/04/48/36/331044836.db2.gz NLBJCQCBYZKOMV-INIZCTEOSA-N 0 1 286.375 3.654 20 0 CHADMN FCCCCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451858051 331045053 /nfs/dbraw/zinc/04/50/53/331045053.db2.gz RETCTDKTEOACGP-CQSZACIVSA-N 0 1 251.345 3.946 20 0 CHADMN CC(C)OCCN1CCC[C@@H]1c1ccc(F)cc1F ZINC000451978014 331049210 /nfs/dbraw/zinc/04/92/10/331049210.db2.gz NZPWUOOXXPBVCR-OAHLLOKOSA-N 0 1 269.335 3.527 20 0 CHADMN CO[C@H](C)c1nc(CN2[C@@H](C)CCC2(C)C)cs1 ZINC000452007150 331050375 /nfs/dbraw/zinc/05/03/75/331050375.db2.gz MTRLCKWSFPKADU-WDEREUQCSA-N 0 1 268.426 3.613 20 0 CHADMN CCc1nc(C)c(C[N@@H+](C)Cc2ccc(C)c(C)c2)o1 ZINC000452050901 331052157 /nfs/dbraw/zinc/05/21/57/331052157.db2.gz YGFKVNUEACZCIE-UHFFFAOYSA-N 0 1 272.392 3.794 20 0 CHADMN CCc1nc(C)c(CN(C)Cc2ccc(C)c(C)c2)o1 ZINC000452050901 331052158 /nfs/dbraw/zinc/05/21/58/331052158.db2.gz YGFKVNUEACZCIE-UHFFFAOYSA-N 0 1 272.392 3.794 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@]2(C)CC=CCC2)c1 ZINC000452194898 331057983 /nfs/dbraw/zinc/05/79/83/331057983.db2.gz MVYDYDVGLGINIL-KRWDZBQOSA-N 0 1 287.359 3.670 20 0 CHADMN CCC1(NC(=O)CCc2nc3cccc(C)c3[nH]2)CCCC1 ZINC000452969798 331082128 /nfs/dbraw/zinc/08/21/28/331082128.db2.gz FFYRZXIGTHCKPB-UHFFFAOYSA-N 0 1 299.418 3.643 20 0 CHADMN CC[C@@H](NCc1ccc(OC(C)C)nc1)c1ccncc1 ZINC000453073130 331086650 /nfs/dbraw/zinc/08/66/50/331086650.db2.gz ZLOHCPVTFJMANO-MRXNPFEDSA-N 0 1 285.391 3.505 20 0 CHADMN CC(C)C[C@@H](N[C@H](C)c1ccncn1)c1cccs1 ZINC000453100591 331089044 /nfs/dbraw/zinc/08/90/44/331089044.db2.gz ZUXFJGOHMNXIRO-TZMCWYRMSA-N 0 1 275.421 3.976 20 0 CHADMN COc1ncccc1CN[C@H]1CC[C@H](C)c2ccsc21 ZINC000453101875 331089251 /nfs/dbraw/zinc/08/92/51/331089251.db2.gz ZLADJIUEPVDQTO-FZMZJTMJSA-N 0 1 288.416 3.880 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccncn1)c1ccc(Cl)s1 ZINC000453132641 331092523 /nfs/dbraw/zinc/09/25/23/331092523.db2.gz WNCZNNHGMBJJDK-UWVGGRQHSA-N 0 1 281.812 3.993 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H]1C[C@H](C)c2ccccc21 ZINC000453156820 331095127 /nfs/dbraw/zinc/09/51/27/331095127.db2.gz HMZBEEWWIXXTLI-XEZPLFJOSA-N 0 1 269.392 3.802 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H]1CCc2ccc(C)cc21 ZINC000453161015 331095731 /nfs/dbraw/zinc/09/57/31/331095731.db2.gz PUUSRVNJPXGXJP-XJKSGUPXSA-N 0 1 269.392 3.550 20 0 CHADMN CC[C@H](NC1(c2ccc3c(c2)OCO3)CC1)c1ccncc1 ZINC000453177994 331097588 /nfs/dbraw/zinc/09/75/88/331097588.db2.gz UJGIFINJPINHLG-HNNXBMFYSA-N 0 1 296.370 3.540 20 0 CHADMN CC[C@H](N[C@H](CCOC)c1ccc(C)o1)c1ccncc1 ZINC000453192597 331099591 /nfs/dbraw/zinc/09/95/91/331099591.db2.gz BSYLHILWDBEWCQ-JKSUJKDBSA-N 0 1 288.391 3.802 20 0 CHADMN CC[C@@H](N[C@H]1CCOc2ccc(OC)cc21)c1ccncc1 ZINC000453196401 331100142 /nfs/dbraw/zinc/10/01/42/331100142.db2.gz LNVCRJQOXFFOCP-SJORKVTESA-N 0 1 298.386 3.655 20 0 CHADMN CC[C@@H](N[C@H](C)c1n[nH]c([C@@H](C)CC)n1)c1ccncc1 ZINC000453204180 331101068 /nfs/dbraw/zinc/10/10/68/331101068.db2.gz FQHSEDIQKNUZSN-OUCADQQQSA-N 0 1 287.411 3.515 20 0 CHADMN COc1cccc(C)c1NC(=O)c1cc(Cl)ccc1O ZINC000194980341 331102393 /nfs/dbraw/zinc/10/23/93/331102393.db2.gz RBNLBPIMBWGVPP-UHFFFAOYSA-N 0 1 291.734 3.615 20 0 CHADMN Cn1ccnc1[C@H](NCCCCF)c1ccc(Cl)cc1 ZINC000453227079 331103918 /nfs/dbraw/zinc/10/39/18/331103918.db2.gz CJNDCJWEDLIJGF-CQSZACIVSA-N 0 1 295.789 3.502 20 0 CHADMN CC[C@H](N[C@H]1CCOc2c(F)cccc21)c1ccncc1 ZINC000453232509 331104790 /nfs/dbraw/zinc/10/47/90/331104790.db2.gz VZRQZACSKMRWCY-HOTGVXAUSA-N 0 1 286.350 3.785 20 0 CHADMN COc1nccc(CN[C@H](C)c2cccc(CC(C)C)c2)n1 ZINC000453249809 331107439 /nfs/dbraw/zinc/10/74/39/331107439.db2.gz DJKCASVPCGSATD-CQSZACIVSA-N 0 1 299.418 3.535 20 0 CHADMN Cc1c([C@H](C)NCC2=CCCCC2)nnn1-c1ccccc1 ZINC000453261165 331108774 /nfs/dbraw/zinc/10/87/74/331108774.db2.gz YQZNLHAMZANCGW-AWEZNQCLSA-N 0 1 296.418 3.727 20 0 CHADMN C[C@H](NCC1=CCCCC1)c1nc2c(s1)CCC2 ZINC000453261889 331108840 /nfs/dbraw/zinc/10/88/40/331108840.db2.gz ZJVWOVMMKQMTSK-NSHDSACASA-N 0 1 262.422 3.783 20 0 CHADMN CC[C@H](C)[C@H](CN[C@H](C)c1csc(C(C)C)n1)OC ZINC000453267900 331109425 /nfs/dbraw/zinc/10/94/25/331109425.db2.gz NNFLJFPGHUDGQJ-SCRDCRAPSA-N 0 1 284.469 3.978 20 0 CHADMN Cc1cc(C)c([C@H](C)NCc2n[nH]c(C(C)C)n2)cc1C ZINC000453278369 331110317 /nfs/dbraw/zinc/11/03/17/331110317.db2.gz CTWUKDKEPDFUNJ-AWEZNQCLSA-N 0 1 286.423 3.704 20 0 CHADMN CC[C@@H](NCc1ccnc(C(F)(F)F)c1)c1ccncc1 ZINC000453288651 331111476 /nfs/dbraw/zinc/11/14/76/331111476.db2.gz PWESADAGNMZTOU-CYBMUJFWSA-N 0 1 295.308 3.736 20 0 CHADMN CC[C@@H](NCc1ccnc(C)c1)c1cc(C)ccc1OC ZINC000453289777 331111641 /nfs/dbraw/zinc/11/16/41/331111641.db2.gz MQONJFFCUMBSMS-QGZVFWFLSA-N 0 1 284.403 3.948 20 0 CHADMN CCc1ncc(CN[C@H](c2ccc(OC)cc2)C(C)C)o1 ZINC000453353802 331121125 /nfs/dbraw/zinc/12/11/25/331121125.db2.gz CUENMOSJVKBYQI-KRWDZBQOSA-N 0 1 288.391 3.733 20 0 CHADMN Cc1c([C@H](C)NCc2cnc(C)cc2C)cnn1C(C)C ZINC000453366283 331123311 /nfs/dbraw/zinc/12/33/11/331123311.db2.gz PMPDLHPIJJHHIR-AWEZNQCLSA-N 0 1 286.423 3.635 20 0 CHADMN CO[C@@H]([C@H](C)N[C@@H](C)c1csc(C(C)C)n1)C1CC1 ZINC000453378321 331125165 /nfs/dbraw/zinc/12/51/65/331125165.db2.gz QKDBUPXDXQMCBP-MJVIPROJSA-N 0 1 282.453 3.731 20 0 CHADMN COc1cccnc1CN[C@H]1CCCc2c(C)ccc(C)c21 ZINC000453380149 331125510 /nfs/dbraw/zinc/12/55/10/331125510.db2.gz XFHKJLNXHULCGA-INIZCTEOSA-N 0 1 296.414 3.874 20 0 CHADMN C[C@H](c1cccc(F)c1F)N1CCC[C@]2(CCOC2)C1 ZINC000453385193 331126317 /nfs/dbraw/zinc/12/63/17/331126317.db2.gz UEDYXOGLVSTUMN-WBMJQRKESA-N 0 1 281.346 3.528 20 0 CHADMN CCCc1ncc(CN[C@@H]2C[C@@H](C)c3ccccc32)o1 ZINC000453389116 331126954 /nfs/dbraw/zinc/12/69/54/331126954.db2.gz PNTHNKBDGHUWJM-MLGOLLRUSA-N 0 1 270.376 3.965 20 0 CHADMN CCCc1ncc(CN[C@@H]2c3ccccc3C[C@H]2C)o1 ZINC000453389922 331127100 /nfs/dbraw/zinc/12/71/00/331127100.db2.gz PXTGVMSZBIKEME-PXAZEXFGSA-N 0 1 270.376 3.650 20 0 CHADMN CCCc1ncc(CN[C@H](CC)c2cccs2)o1 ZINC000453396670 331128187 /nfs/dbraw/zinc/12/81/87/331128187.db2.gz VAWYHGPGWIISSN-GFCCVEGCSA-N 0 1 264.394 3.930 20 0 CHADMN CC[C@]1(C(C)C)C[C@H]1N[C@H](c1ccccc1)c1ccncn1 ZINC000453462891 331132535 /nfs/dbraw/zinc/13/25/35/331132535.db2.gz XNEZZELAAJYZMJ-GUDVDZBRSA-N 0 1 295.430 3.980 20 0 CHADMN Cc1cc(Br)c(CN(C)C(C)C)s1 ZINC000453568881 331134502 /nfs/dbraw/zinc/13/45/02/331134502.db2.gz YHHMZCYZCCSYID-UHFFFAOYSA-N 0 1 262.216 3.659 20 0 CHADMN CCc1nc(CN[C@H]2C[C@]2(CC)C(C)C)cs1 ZINC000453603866 331135965 /nfs/dbraw/zinc/13/59/65/331135965.db2.gz BCDADKRISJRKHB-GXTWGEPZSA-N 0 1 252.427 3.620 20 0 CHADMN CCC(C)(C)OCCNCc1ncc(C(C)(C)C)s1 ZINC000453607128 331136088 /nfs/dbraw/zinc/13/60/88/331136088.db2.gz AUOIULQXRAYHSK-UHFFFAOYSA-N 0 1 284.469 3.735 20 0 CHADMN CC(C)[C@@H]1C[C@H](Nc2ccc3cnccc3c2)CCO1 ZINC000453610413 331136345 /nfs/dbraw/zinc/13/63/45/331136345.db2.gz HEILIKIIXDETET-SJORKVTESA-N 0 1 270.376 3.850 20 0 CHADMN Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CCCC2)o1 ZINC000453611491 331136482 /nfs/dbraw/zinc/13/64/82/331136482.db2.gz IVFKHRZHSBBOQO-GOSISDBHSA-N 0 1 299.414 3.972 20 0 CHADMN Cc1ncc(CN2Cc3sccc3CC2(C)C)s1 ZINC000453623925 331137181 /nfs/dbraw/zinc/13/71/81/331137181.db2.gz PUSCVABTPLGBCQ-UHFFFAOYSA-N 0 1 278.446 3.850 20 0 CHADMN CCC[N@@H+](CCc1cccc(F)c1)Cc1cc(C)no1 ZINC000172080244 335093810 /nfs/dbraw/zinc/09/38/10/335093810.db2.gz SXBFMZWSYNCDCU-UHFFFAOYSA-N 0 1 276.355 3.577 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)[nH]1 ZINC000456352092 331190629 /nfs/dbraw/zinc/19/06/29/331190629.db2.gz UQHJPYAYWWMMPJ-RHSMWYFYSA-N 0 1 299.418 3.624 20 0 CHADMN CC(C)N(C(=O)c1cccc2[nH]cnc21)C1CC(C)(C)C1 ZINC000457072769 331211412 /nfs/dbraw/zinc/21/14/12/331211412.db2.gz LXLMPIJYHRVNIZ-UHFFFAOYSA-N 0 1 285.391 3.602 20 0 CHADMN CC(C)N(C(=O)c1[nH]nc2ccccc21)C1CC(C)(C)C1 ZINC000457079268 331211665 /nfs/dbraw/zinc/21/16/65/331211665.db2.gz FNWMJANABJLNHN-UHFFFAOYSA-N 0 1 285.391 3.602 20 0 CHADMN CC(C)CCCCC(=O)NC[C@H](c1cccs1)N(C)C ZINC000457383288 331220635 /nfs/dbraw/zinc/22/06/35/331220635.db2.gz FQAMBWIWOYEKCW-CQSZACIVSA-N 0 1 296.480 3.683 20 0 CHADMN CC(C)CCCCC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000457566712 331227172 /nfs/dbraw/zinc/22/71/72/331227172.db2.gz DTFANJNKIRSXCD-UHFFFAOYSA-N 0 1 286.379 3.627 20 0 CHADMN C[C@@H](Cc1cccc(C(F)(F)F)c1)N[C@@H](C)c1ccon1 ZINC000467393397 331236921 /nfs/dbraw/zinc/23/69/21/331236921.db2.gz ZYHOOPIEOFMEMC-QWRGUYRKSA-N 0 1 298.308 3.975 20 0 CHADMN Cc1cc(F)c(CN(C[C@H]2CCOC2)C2CC2)c(Cl)c1 ZINC000459320457 331276027 /nfs/dbraw/zinc/27/60/27/331276027.db2.gz YUJWIXQCKNIDRV-GFCCVEGCSA-N 0 1 297.801 3.788 20 0 CHADMN CCn1nncc1CN(CC1CCC1)[C@@H](C)c1ccccc1 ZINC000459341223 331276909 /nfs/dbraw/zinc/27/69/09/331276909.db2.gz NTGFLWGYINRIMX-HNNXBMFYSA-N 0 1 298.434 3.661 20 0 CHADMN FC(F)(F)CCN(Cc1cnc(C2CC2)nc1)CC1CC1 ZINC000459342591 331277114 /nfs/dbraw/zinc/27/71/14/331277114.db2.gz GCTSJPGDIPSIFT-UHFFFAOYSA-N 0 1 299.340 3.518 20 0 CHADMN CC(C)[N@H+](Cc1cc(=O)[n-]c(-c2ccccc2)n1)C1CCC1 ZINC000459368779 331278474 /nfs/dbraw/zinc/27/84/74/331278474.db2.gz DBINBSQNQWAVEF-UHFFFAOYSA-N 0 1 297.402 3.612 20 0 CHADMN CC(C)[N@@H+](Cc1cc(=O)[n-]c(-c2ccccc2)n1)C1CCC1 ZINC000459368779 331278475 /nfs/dbraw/zinc/27/84/75/331278475.db2.gz DBINBSQNQWAVEF-UHFFFAOYSA-N 0 1 297.402 3.612 20 0 CHADMN Cc1nc2scc(C3CC3)n2c1CN1CC[C@@H]1C(C)C ZINC000459368488 331278563 /nfs/dbraw/zinc/27/85/63/331278563.db2.gz YBLSIANVZGQYHF-CYBMUJFWSA-N 0 1 289.448 3.812 20 0 CHADMN C[C@H](NCc1cnc(C2CC2)nc1)c1ccc(Cl)s1 ZINC000459383620 331279439 /nfs/dbraw/zinc/27/94/39/331279439.db2.gz GQHDLACFIAGOJZ-VIFPVBQESA-N 0 1 293.823 3.920 20 0 CHADMN CC[C@@H](NCCOCC1CCCC1)c1nc(C)cs1 ZINC000459412350 331280338 /nfs/dbraw/zinc/28/03/38/331280338.db2.gz VKDSVRRRLMKPRU-CQSZACIVSA-N 0 1 282.453 3.699 20 0 CHADMN OC[C@H](NCc1ccc(C2CC2)cc1)c1ccc(F)cc1 ZINC000459413302 331280446 /nfs/dbraw/zinc/28/04/46/331280446.db2.gz OLWBVGWTQPZHGT-SFHVURJKSA-N 0 1 285.362 3.526 20 0 CHADMN Cc1cccnc1[C@@H](NCc1cnc(C2CC2)nc1)C(C)C ZINC000459421307 331280643 /nfs/dbraw/zinc/28/06/43/331280643.db2.gz YQYWVJOAXSTCHD-INIZCTEOSA-N 0 1 296.418 3.544 20 0 CHADMN CC1(C)[C@H](C(F)(F)F)CCN1Cc1cnc(C2CC2)nc1 ZINC000459497344 331284985 /nfs/dbraw/zinc/28/49/85/331284985.db2.gz RZNRLKDWESJIHQ-GFCCVEGCSA-N 0 1 299.340 3.517 20 0 CHADMN FC(F)CN[C@@H]1CCC[C@@H]1CCc1ccccc1 ZINC000459552503 331287460 /nfs/dbraw/zinc/28/74/60/331287460.db2.gz ZMUTVNAZLPKLOE-ZIAGYGMSSA-N 0 1 253.336 3.643 20 0 CHADMN c1cc(-c2n[nH]cc2CN2CC3(C2)CCCC3)cs1 ZINC000459555138 331287643 /nfs/dbraw/zinc/28/76/43/331287643.db2.gz BOFJKFMBPNAHIN-UHFFFAOYSA-N 0 1 273.405 3.514 20 0 CHADMN Clc1cccc2c1[C@H](NC1CC3(CCC3)C1)CO2 ZINC000459563212 331288189 /nfs/dbraw/zinc/28/81/89/331288189.db2.gz CAFRONNRFPGSGX-GFCCVEGCSA-N 0 1 263.768 3.696 20 0 CHADMN FC1(F)CCC12CN(CCc1ccc(Cl)cc1)C2 ZINC000459566848 331288199 /nfs/dbraw/zinc/28/81/99/331288199.db2.gz SVIXIDNTPYCARN-UHFFFAOYSA-N 0 1 271.738 3.614 20 0 CHADMN FC(F)COCCN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459568970 331288219 /nfs/dbraw/zinc/28/82/19/331288219.db2.gz CNQORFJDFPYFKD-MRXNPFEDSA-N 0 1 295.373 3.885 20 0 CHADMN CCc1nc(C)c(CN2Cc3sccc3CC2(C)C)o1 ZINC000459575812 331288793 /nfs/dbraw/zinc/28/87/93/331288793.db2.gz FJKCMAOPLJGMIT-UHFFFAOYSA-N 0 1 290.432 3.944 20 0 CHADMN c1nc(-c2ccccn2)sc1CN1CC2(C1)CCCCC2 ZINC000459576061 331288880 /nfs/dbraw/zinc/28/88/80/331288880.db2.gz DHJUCKBPNUZRQO-UHFFFAOYSA-N 0 1 299.443 3.971 20 0 CHADMN CO[C@@H]1CCN(Cc2c(F)cc(C)cc2Cl)C[C@H]1C ZINC000459587643 331289622 /nfs/dbraw/zinc/28/96/22/331289622.db2.gz WTLXVRVSNVWHIH-IAQYHMDHSA-N 0 1 285.790 3.644 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CC(c2nc(C)no2)C1 ZINC000459613142 331290584 /nfs/dbraw/zinc/29/05/84/331290584.db2.gz VOYMJKUMAXWBDX-ZDUSSCGKSA-N 0 1 277.412 3.550 20 0 CHADMN COCCC1(C)CN(Cc2ccc(-c3ccccc3)o2)C1 ZINC000459631919 331291113 /nfs/dbraw/zinc/29/11/13/331291113.db2.gz MEMRRFFBAMLFMZ-UHFFFAOYSA-N 0 1 285.387 3.805 20 0 CHADMN CCC1(C)CN(Cc2ccccc2OCc2ccncc2)C1 ZINC000459642179 331291727 /nfs/dbraw/zinc/29/17/27/331291727.db2.gz ZBBSMRAPBLPAOA-UHFFFAOYSA-N 0 1 296.414 3.893 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2csc(-c3ccsc3)n2)C1 ZINC000459651717 331292248 /nfs/dbraw/zinc/29/22/48/331292248.db2.gz VNKFVNSUMYIIPE-BJHJDKERSA-N 0 1 294.445 3.529 20 0 CHADMN CCc1nocc1CN[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000459666402 331293081 /nfs/dbraw/zinc/29/30/81/331293081.db2.gz MSYYSXXSXROIIJ-QMTHXVAHSA-N 0 1 294.757 3.675 20 0 CHADMN Cc1ccc(CNCc2cc(C)c3ncccc3c2)nc1C ZINC000459670317 331293399 /nfs/dbraw/zinc/29/33/99/331293399.db2.gz OMJFQOYGLFWNSH-UHFFFAOYSA-N 0 1 291.398 3.845 20 0 CHADMN CCOC[C@@H]1CCCCN1Cc1cnc(C(C)C)s1 ZINC000459673102 331293541 /nfs/dbraw/zinc/29/35/41/331293541.db2.gz IQAYQAQHINTMAD-ZDUSSCGKSA-N 0 1 282.453 3.658 20 0 CHADMN CCOC[C@@H]1CCCCN1Cc1cnc(C2CCC2)s1 ZINC000459675832 331293627 /nfs/dbraw/zinc/29/36/27/331293627.db2.gz NDZZZJRBDBXCQO-AWEZNQCLSA-N 0 1 294.464 3.802 20 0 CHADMN CCn1ccnc1CN(C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459687933 331294554 /nfs/dbraw/zinc/29/45/54/331294554.db2.gz XXJVYQROCHGPPL-SJORKVTESA-N 0 1 283.419 3.671 20 0 CHADMN CC(C)(C)c1nc(CNCc2ccc3ccccc3c2)n[nH]1 ZINC000459691929 331294726 /nfs/dbraw/zinc/29/47/26/331294726.db2.gz DRJQYGWFXFQMDS-UHFFFAOYSA-N 0 1 294.402 3.545 20 0 CHADMN Cc1cnc(CN(C)[C@H]2CCC[C@@H]2c2ccccc2)nc1 ZINC000459717759 331295619 /nfs/dbraw/zinc/29/56/19/331295619.db2.gz XBWDXPLBHMLCND-SJORKVTESA-N 0 1 281.403 3.553 20 0 CHADMN CN(Cc1ccn(C2CCCC2)n1)C1CC(C)(C)C1 ZINC000459740816 331297416 /nfs/dbraw/zinc/29/74/16/331297416.db2.gz MENYUCFJFZZOJY-UHFFFAOYSA-N 0 1 261.413 3.619 20 0 CHADMN Clc1ccc2cccnc2c1CN1C[C@@H]2C[C@H]1CS2 ZINC000459768994 331299608 /nfs/dbraw/zinc/29/96/08/331299608.db2.gz RAILPWRONQEYDZ-RYUDHWBXSA-N 0 1 290.819 3.578 20 0 CHADMN CC[C@H]1C[C@H](CN2Cc3ccc(Cl)cc3C2)CCO1 ZINC000459771693 331299897 /nfs/dbraw/zinc/29/98/97/331299897.db2.gz ZDBYYZFGIWUVJO-WBMJQRKESA-N 0 1 279.811 3.861 20 0 CHADMN CC[C@@H]1OCC[C@H]1NCc1nc(C2CCCCC2)cs1 ZINC000459773747 331300053 /nfs/dbraw/zinc/30/00/53/331300053.db2.gz KKXSTAFBKMPUKN-HIFRSBDPSA-N 0 1 294.464 3.848 20 0 CHADMN Cc1cnc(CN(C)[C@H](C)Cc2cccc(F)c2)s1 ZINC000459776363 331300393 /nfs/dbraw/zinc/30/03/93/331300393.db2.gz WKTJPRMJEOKOJX-LLVKDONJSA-N 0 1 278.396 3.654 20 0 CHADMN CCC[C@H](NCc1noc(-c2ccccc2)n1)C1CCC1 ZINC000459787107 331300924 /nfs/dbraw/zinc/30/09/24/331300924.db2.gz DJRXIVBCNITBKU-HNNXBMFYSA-N 0 1 285.391 3.795 20 0 CHADMN Cc1occc1-c1noc(-c2cc(Cl)ccc2O)n1 ZINC000165730502 331306379 /nfs/dbraw/zinc/30/63/79/331306379.db2.gz UXSGNTVIZDPSDX-UHFFFAOYSA-N 0 1 276.679 3.664 20 0 CHADMN CN(CCCc1ccncc1)Cc1ccc(F)cc1Cl ZINC000462309761 331318959 /nfs/dbraw/zinc/31/89/59/331318959.db2.gz DPOVCBZCRKPUKN-UHFFFAOYSA-N 0 1 292.785 3.939 20 0 CHADMN Cc1cc(C[N@@H+]2CC[C@@H](C)C3(CCCCC3)C2)no1 ZINC000462456471 331322380 /nfs/dbraw/zinc/32/23/80/331322380.db2.gz QJMCXSCCSLZNJK-CYBMUJFWSA-N 0 1 262.397 3.775 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)C3(CCCCC3)C2)no1 ZINC000462456471 331322381 /nfs/dbraw/zinc/32/23/81/331322381.db2.gz QJMCXSCCSLZNJK-CYBMUJFWSA-N 0 1 262.397 3.775 20 0 CHADMN CC(C)N(Cc1ccc(Cl)cc1Cl)[C@@H]1CCOC1 ZINC000462853825 331332801 /nfs/dbraw/zinc/33/28/01/331332801.db2.gz PYBRJJANMSSZMV-CYBMUJFWSA-N 0 1 288.218 3.993 20 0 CHADMN CCOC[C@H]1CCC[C@H]1Nc1cc2c(cn1)CCCC2 ZINC000462942925 331335549 /nfs/dbraw/zinc/33/55/49/331335549.db2.gz CUDQYCQJIIKKKD-HZPDHXFCSA-N 0 1 274.408 3.578 20 0 CHADMN Cc1ccnc([C@@H](C)Nc2cc3c(cn2)CCCC3)c1 ZINC000462947529 331335590 /nfs/dbraw/zinc/33/55/90/331335590.db2.gz WXCYFHAGRQXHRF-CYBMUJFWSA-N 0 1 267.376 3.837 20 0 CHADMN Cc1ccnc([C@H](C)Nc2cc3c(cn2)CCCC3)c1 ZINC000462947530 331335613 /nfs/dbraw/zinc/33/56/13/331335613.db2.gz WXCYFHAGRQXHRF-ZDUSSCGKSA-N 0 1 267.376 3.837 20 0 CHADMN COCC[C@@H]1CCC[C@H]1Nc1cc2c(cn1)CCCC2 ZINC000462958625 331335907 /nfs/dbraw/zinc/33/59/07/331335907.db2.gz QQEMDJYTZKPRSD-XJKSGUPXSA-N 0 1 274.408 3.578 20 0 CHADMN CC[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@H]1CCOC1 ZINC000463042840 331338391 /nfs/dbraw/zinc/33/83/91/331338391.db2.gz LVKZBSXTEOGMQV-INIZCTEOSA-N 0 1 261.409 3.595 20 0 CHADMN Cc1ccc(CN(C(C)C)[C@H]2CCOC2)c(Cl)c1 ZINC000463227222 331343102 /nfs/dbraw/zinc/34/31/02/331343102.db2.gz DNEGXNINIBDWNY-AWEZNQCLSA-N 0 1 267.800 3.648 20 0 CHADMN C(=Cc1ccccc1)c1n[nH]c(SCC2CCC2)n1 ZINC000463255679 331344507 /nfs/dbraw/zinc/34/45/07/331344507.db2.gz JADIISIVGVAKLV-MDZDMXLPSA-N 0 1 271.389 3.867 20 0 CHADMN CCN(Cc1csc(N(C)C2CC2)n1)CC(C)(C)C ZINC000463372576 331346899 /nfs/dbraw/zinc/34/68/99/331346899.db2.gz SVEDJYSQVMJAPX-UHFFFAOYSA-N 0 1 281.469 3.610 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000464196159 331357883 /nfs/dbraw/zinc/35/78/83/331357883.db2.gz BBOGBXWJJYMXOZ-BBRMVZONSA-N 0 1 299.418 3.912 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1nnc(-c2ccccc2)s1 ZINC000464504071 331361689 /nfs/dbraw/zinc/36/16/89/331361689.db2.gz ZKFYBWKCMFLGDS-GXTWGEPZSA-N 0 1 287.432 3.968 20 0 CHADMN C[C@@H]1CN(Cc2nnc(-c3ccccc3)s2)C(C)(C)C1 ZINC000464675560 331364596 /nfs/dbraw/zinc/36/45/96/331364596.db2.gz BCQFCYWEVUVNSK-LBPRGKRZSA-N 0 1 287.432 3.826 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1nc(CC(C)C)no1 ZINC000464727500 331365352 /nfs/dbraw/zinc/36/53/52/331365352.db2.gz BIZGSCLAKKTZDJ-UONOGXRCSA-N 0 1 279.428 3.669 20 0 CHADMN CC[C@]1(C)CCCN([C@H](C)C(=O)Nc2ccccc2C)C1 ZINC000464772557 331367173 /nfs/dbraw/zinc/36/71/73/331367173.db2.gz HLOCEZQXFGFVLH-CRAIPNDOSA-N 0 1 288.435 3.834 20 0 CHADMN CC(C)[C@@H]1CN(Cc2cccc(Cl)c2)CCS1 ZINC000464777309 331367471 /nfs/dbraw/zinc/36/74/71/331367471.db2.gz SOXRJDIIHMGMPY-AWEZNQCLSA-N 0 1 269.841 3.913 20 0 CHADMN CC[C@@]1(C)CCCN(CC(=O)Nc2ccc(C)cc2C)C1 ZINC000464781179 331367877 /nfs/dbraw/zinc/36/78/77/331367877.db2.gz SEJPMYGWODKDJL-SFHVURJKSA-N 0 1 288.435 3.754 20 0 CHADMN CC[C@H]1CN(CCOc2ccccc2Cl)CCS1 ZINC000464786311 331367998 /nfs/dbraw/zinc/36/79/98/331367998.db2.gz MTQNIRTTXUWTLM-LBPRGKRZSA-N 0 1 285.840 3.546 20 0 CHADMN C[C@@H]1CN([C@H]2C=CCCC2)[C@@H](c2ccccc2)CO1 ZINC000464848734 331371094 /nfs/dbraw/zinc/37/10/94/331371094.db2.gz XIDSCCUIFFURHV-HYVNUMGLSA-N 0 1 257.377 3.557 20 0 CHADMN C[C@@H]1CN([C@H]2C=CCCC2)[C@H](c2ccccc2)CO1 ZINC000464848739 331371142 /nfs/dbraw/zinc/37/11/42/331371142.db2.gz XIDSCCUIFFURHV-PVAVHDDUSA-N 0 1 257.377 3.557 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000466321397 331392857 /nfs/dbraw/zinc/39/28/57/331392857.db2.gz WKGQZMGYKVAKEN-HNNXBMFYSA-N 0 1 297.402 3.510 20 0 CHADMN CCC[C@H]1CCCN(Cc2nc(-c3cccs3)no2)C1 ZINC000466467221 331397818 /nfs/dbraw/zinc/39/78/18/331397818.db2.gz UCOVRPQXAUGWDB-LBPRGKRZSA-N 0 1 291.420 3.810 20 0 CHADMN CCC[C@@H]1CCCN(CC(=O)Nc2ccc(C)cc2C)C1 ZINC000466487831 331398285 /nfs/dbraw/zinc/39/82/85/331398285.db2.gz FSRMFSSMXHWLMK-MRXNPFEDSA-N 0 1 288.435 3.754 20 0 CHADMN Clc1cnc(CN[C@H]2C[C@@H]2C2CCCCC2)s1 ZINC000472047146 331526974 /nfs/dbraw/zinc/52/69/74/331526974.db2.gz DLTZGJOUSKORFS-MNOVXSKESA-N 0 1 270.829 3.855 20 0 CHADMN CCC(CC)CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000474450424 331587287 /nfs/dbraw/zinc/58/72/87/331587287.db2.gz XETSMXGLGJKZKA-UHFFFAOYSA-N 0 1 273.735 3.950 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1C[C@@H](C)[C@H](C)C1 ZINC000475368798 331629569 /nfs/dbraw/zinc/62/95/69/331629569.db2.gz FWXXIJQSJGNZKM-UTUOFQBUSA-N 0 1 250.386 3.621 20 0 CHADMN Cc1nccc(N[C@H]2CCc3cc(F)ccc32)c1Cl ZINC000478321931 331704019 /nfs/dbraw/zinc/70/40/19/331704019.db2.gz AMEUMGQYFAEPQS-ZDUSSCGKSA-N 0 1 276.742 3.704 20 0 CHADMN COC[C@@H](NCc1cc(F)ccc1C)c1ccc(F)cc1 ZINC000478330039 331704141 /nfs/dbraw/zinc/70/41/41/331704141.db2.gz XDPUBZDENWHXMH-QGZVFWFLSA-N 0 1 291.341 3.751 20 0 CHADMN [O-]c1ccc(F)c(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1F ZINC000511124642 332927477 /nfs/dbraw/zinc/92/74/77/332927477.db2.gz LLHYZURYTICHED-QJPTWQEYSA-N 0 1 281.346 3.729 20 0 CHADMN CCCC[C@H](COC)NCc1c(Cl)cccc1OC ZINC000479273980 331723258 /nfs/dbraw/zinc/72/32/58/331723258.db2.gz UFBYAFFJHBKOSU-GFCCVEGCSA-N 0 1 285.815 3.643 20 0 CHADMN COc1cc(C)nc(CNCc2cccc(C(C)C)c2)c1 ZINC000479402517 331727262 /nfs/dbraw/zinc/72/72/62/331727262.db2.gz PUNFXAHKQKGKEO-UHFFFAOYSA-N 0 1 284.403 3.812 20 0 CHADMN C[C@@H](Cc1ccncc1)Nc1ccnc2cc(F)ccc21 ZINC000487672238 331978665 /nfs/dbraw/zinc/97/86/65/331978665.db2.gz GVBBKMDRPKEAAY-LBPRGKRZSA-N 0 1 281.334 3.812 20 0 CHADMN CC(C)Cn1ccnc1CN[C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488578508 332018709 /nfs/dbraw/zinc/01/87/09/332018709.db2.gz YVJNSTWTHHWUHJ-KGLIPLIRSA-N 0 1 295.496 3.549 20 0 CHADMN Cc1ccoc1CN(C)c1ccnc(C)c1Cl ZINC000488722751 332022651 /nfs/dbraw/zinc/02/26/51/332022651.db2.gz PHSIQMWOGAHAHQ-UHFFFAOYSA-N 0 1 250.729 3.581 20 0 CHADMN C[C@H](CC(=O)Nc1nc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000488891487 332032392 /nfs/dbraw/zinc/03/23/92/332032392.db2.gz BFISDDKNRJFFEM-LLVKDONJSA-N 0 1 297.333 3.834 20 0 CHADMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1ccccc1Cl ZINC000488901400 332032760 /nfs/dbraw/zinc/03/27/60/332032760.db2.gz SWEPGVOGZPQLHB-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(C)(C)CC(C)C)n[nH]1 ZINC000489218380 332043591 /nfs/dbraw/zinc/04/35/91/332043591.db2.gz OBGBWBZNZICRRF-VXGBXAGGSA-N 0 1 294.443 3.568 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C[C@@H](C)C(C)(C)C)n[nH]1 ZINC000489253717 332044186 /nfs/dbraw/zinc/04/41/86/332044186.db2.gz PCLJWCNEHQGWFT-QJPTWQEYSA-N 0 1 294.443 3.568 20 0 CHADMN CCCCc1noc([C@H](C)N(CC)C[C@@H](C)CC)n1 ZINC000489351712 332048210 /nfs/dbraw/zinc/04/82/10/332048210.db2.gz CAXJLFAINZHQSI-STQMWFEESA-N 0 1 267.417 3.841 20 0 CHADMN COC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000490047250 332078364 /nfs/dbraw/zinc/07/83/64/332078364.db2.gz DZGAWMUZDQNEGV-GFCCVEGCSA-N 0 1 295.732 3.912 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)N(Cc3nc(C(C)C)no3)C2)cc1 ZINC000490091691 332081080 /nfs/dbraw/zinc/08/10/80/332081080.db2.gz MTIYMTJZWFNBOO-ZBFHGGJFSA-N 0 1 299.418 3.879 20 0 CHADMN CC(C)CCC(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000490298477 332086349 /nfs/dbraw/zinc/08/63/49/332086349.db2.gz FNQCWQKDUFBZEB-UHFFFAOYSA-N 0 1 299.296 3.956 20 0 CHADMN Cc1ccc2nc(S[C@@H]3Cc4ccccc4C3=O)[nH]c2c1 ZINC000491300259 332185221 /nfs/dbraw/zinc/18/52/21/332185221.db2.gz XRDPCRPUAUFFBH-OAHLLOKOSA-N 0 1 294.379 3.771 20 0 CHADMN Cn1ccnc1[C@@H](NCc1ccc2c(c1)CCCC2)C1CC1 ZINC000491377248 332200513 /nfs/dbraw/zinc/20/05/13/332200513.db2.gz VUBMWWATEGXBQQ-SFHVURJKSA-N 0 1 295.430 3.540 20 0 CHADMN Cc1ccc(CC(=O)Nc2cccc(Cl)c2O)s1 ZINC000172356052 335102538 /nfs/dbraw/zinc/10/25/38/335102538.db2.gz MIOOUVQVZAJPFW-UHFFFAOYSA-N 0 1 281.764 3.597 20 0 CHADMN CCCN1Cc2cccc(NC(=O)/C=C/C3CCC3)c2C1 ZINC000492069780 332381502 /nfs/dbraw/zinc/38/15/02/332381502.db2.gz UEKBAYCBDRXXBN-MDZDMXLPSA-N 0 1 284.403 3.707 20 0 CHADMN CCc1nnc([C@H](C)N[C@H]2CCC[C@H]2CCC(C)C)o1 ZINC000493570871 332445488 /nfs/dbraw/zinc/44/54/88/332445488.db2.gz CLHKXILQGOWQSN-IHRRRGAJSA-N 0 1 279.428 3.888 20 0 CHADMN CCCc1csc(CN[C@H]2C[C@H](OCC)C23CCC3)n1 ZINC000494104968 332463577 /nfs/dbraw/zinc/46/35/77/332463577.db2.gz GHXWDWQUQDMLME-KBPBESRZSA-N 0 1 294.464 3.533 20 0 CHADMN Cc1cscc1CN[C@@H](C)c1cnn(C(C)C)c1C ZINC000494480503 332475076 /nfs/dbraw/zinc/47/50/76/332475076.db2.gz ZSESNYGKVKGLPZ-LBPRGKRZSA-N 0 1 277.437 3.993 20 0 CHADMN CC(C)[C@H](NCC(=O)NC(C)(C)C)c1ccccc1Cl ZINC000091282049 334375221 /nfs/dbraw/zinc/37/52/21/334375221.db2.gz BBCHRYASCIXCAH-HNNXBMFYSA-N 0 1 296.842 3.541 20 0 CHADMN CC[C@@H]1C[C@@]1(NCc1cc(OC)ccn1)c1cccc(C)c1 ZINC000502566870 332665863 /nfs/dbraw/zinc/66/58/63/332665863.db2.gz SUGNZMDLAXYBOT-BEFAXECRSA-N 0 1 296.414 3.814 20 0 CHADMN CC[C@H](CNCc1nnc(C(C)C)s1)c1ccccc1 ZINC000503048464 332679260 /nfs/dbraw/zinc/67/92/60/332679260.db2.gz XFVAFVYRGXIFFF-CYBMUJFWSA-N 0 1 289.448 3.945 20 0 CHADMN CCCCCn1cc(CNCc2cccc(F)c2)c(C)n1 ZINC000503256923 332684852 /nfs/dbraw/zinc/68/48/52/332684852.db2.gz CCIIHDPAVKKVGO-UHFFFAOYSA-N 0 1 289.398 3.811 20 0 CHADMN C[C@@H]1CC[C@H]([NH2+]Cc2c(F)ccc([O-])c2F)C[C@@H]1C ZINC000512478714 332969987 /nfs/dbraw/zinc/96/99/87/332969987.db2.gz DHDKTZPOHSVOFU-VWYCJHECSA-N 0 1 269.335 3.585 20 0 CHADMN FC(F)(F)c1ccccc1CN1CC(C2CCC2)C1 ZINC000575785896 335115100 /nfs/dbraw/zinc/11/51/00/335115100.db2.gz ABTVVIALTVQIMM-UHFFFAOYSA-N 0 1 269.310 3.937 20 0 CHADMN CCc1ccc([C@@H]2CCCN(Cc3cc(C)on3)C2)cc1 ZINC000513374709 333016454 /nfs/dbraw/zinc/01/64/54/333016454.db2.gz CCLLDEQLMVOGKL-QGZVFWFLSA-N 0 1 284.403 3.925 20 0 CHADMN Fc1cccc(F)c1CNCCOc1cccc(Cl)c1 ZINC000513593763 333026057 /nfs/dbraw/zinc/02/60/57/333026057.db2.gz DCDOQHIYPFFYCC-UHFFFAOYSA-N 0 1 297.732 3.787 20 0 CHADMN CO[C@@H]1C[C@@H](N[C@H](C)c2c(F)cccc2F)C12CCC2 ZINC000308349659 333027982 /nfs/dbraw/zinc/02/79/82/333027982.db2.gz CBJXJYIKIXQTFI-LERXQTSPSA-N 0 1 281.346 3.573 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@H](C)c1cc(C)ccn1 ZINC000513660087 333030062 /nfs/dbraw/zinc/03/00/62/333030062.db2.gz FPHNZPNVRPYUSQ-CJNGLKHVSA-N 0 1 282.387 3.737 20 0 CHADMN Cc1cccn2c(CN3CCc4ccccc4[C@H]3C)cnc12 ZINC000513691182 333032765 /nfs/dbraw/zinc/03/27/65/333032765.db2.gz SCSSBBPLVSXUAM-OAHLLOKOSA-N 0 1 291.398 3.762 20 0 CHADMN C[C@@H](CF)NCc1ccc(Cl)c(Br)c1 ZINC000308575178 333035458 /nfs/dbraw/zinc/03/54/58/333035458.db2.gz MHMJUKANPTVHGJ-ZETCQYMHSA-N 0 1 280.568 3.550 20 0 CHADMN CCOc1cccc(-c2nc3ccc(F)cc3[nH]2)c1 ZINC000513868973 333044924 /nfs/dbraw/zinc/04/49/24/333044924.db2.gz DNUBGEMJQJXGQC-UHFFFAOYSA-N 0 1 256.280 3.768 20 0 CHADMN CO[C@@H](C[N@H+]1C[C@@H](C)OC(C)(C)C1)c1ccc(Cl)cc1 ZINC000513903609 333049756 /nfs/dbraw/zinc/04/97/56/333049756.db2.gz IJRPYSDINUDEPU-DOMZBBRYSA-N 0 1 297.826 3.527 20 0 CHADMN CO[C@@H](CN1C[C@@H](C)OC(C)(C)C1)c1ccc(Cl)cc1 ZINC000513903609 333049758 /nfs/dbraw/zinc/04/97/58/333049758.db2.gz IJRPYSDINUDEPU-DOMZBBRYSA-N 0 1 297.826 3.527 20 0 CHADMN COc1ccc(Cl)cc1CN(C)CCSC(C)C ZINC000513961518 333055252 /nfs/dbraw/zinc/05/52/52/333055252.db2.gz FQHIFHXPRODGFE-UHFFFAOYSA-N 0 1 287.856 3.922 20 0 CHADMN C[C@H]1c2cccn2CCN1C[C@@H]1CCCC(F)(F)C1 ZINC000513964817 333055766 /nfs/dbraw/zinc/05/57/66/333055766.db2.gz OSGHJEPABJJJBU-QWHCGFSZSA-N 0 1 268.351 3.690 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)C3=CCCC3)cc2[nH]1 ZINC000177794885 333063044 /nfs/dbraw/zinc/06/30/44/333063044.db2.gz MTWLEZXTMODWJP-UHFFFAOYSA-N 0 1 283.375 3.909 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCc2ccccc2C1 ZINC000514070119 333063934 /nfs/dbraw/zinc/06/39/34/333063934.db2.gz PBEAPCWHVWCWOF-CRAIPNDOSA-N 0 1 273.420 3.640 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000177944469 333065964 /nfs/dbraw/zinc/06/59/64/333065964.db2.gz LRSDZOIUNHUMSP-GASCZTMLSA-N 0 1 288.435 3.930 20 0 CHADMN CCC(C)(C)C(=O)CSc1nc2ccc(C)cc2[nH]1 ZINC000312063098 333076076 /nfs/dbraw/zinc/07/60/76/333076076.db2.gz JKUUXOMJMWIKSY-UHFFFAOYSA-N 0 1 276.405 3.969 20 0 CHADMN CCCC[C@@H](CC)Cc1nc(C2(N)CCCC2)no1 ZINC000516769466 333082173 /nfs/dbraw/zinc/08/21/73/333082173.db2.gz YMGNKYXWMHMQBA-GFCCVEGCSA-N 0 1 265.401 3.557 20 0 CHADMN Cc1ccc(CN[C@@H]2c3ccccc3O[C@H]2C)c(C)c1 ZINC000516890203 333085327 /nfs/dbraw/zinc/08/53/27/333085327.db2.gz SRDPEIHVWWLEPE-KSSFIOAISA-N 0 1 267.372 3.915 20 0 CHADMN CC(C)CCC[N@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000517042056 333090673 /nfs/dbraw/zinc/09/06/73/333090673.db2.gz KKXUQVYKEVDFJY-CVEARBPZSA-N 0 1 281.440 3.778 20 0 CHADMN Fc1cccc(CCC[N@H+]2CCCc3occc3C2)c1 ZINC000517054754 333091208 /nfs/dbraw/zinc/09/12/08/333091208.db2.gz VIOLDKNKBJPPAV-UHFFFAOYSA-N 0 1 273.351 3.800 20 0 CHADMN CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(C)c(C(=O)[O-])o1 ZINC000517380632 333098351 /nfs/dbraw/zinc/09/83/51/333098351.db2.gz CHVXGJYRTAGGNU-ZDUSSCGKSA-N 0 1 279.380 3.687 20 0 CHADMN COc1cc(C)ccc1CN1CCC[C@H]1c1ccccn1 ZINC000517500166 333100787 /nfs/dbraw/zinc/10/07/87/333100787.db2.gz DQOAOHFDAXAKMF-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2cccc3ccoc32)n[nH]1 ZINC000517680229 333105755 /nfs/dbraw/zinc/10/57/55/333105755.db2.gz WLDHHJLJDGTDAZ-NEPJUHHUSA-N 0 1 298.390 3.915 20 0 CHADMN CCCN(CCC)C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000520967973 333109080 /nfs/dbraw/zinc/10/90/80/333109080.db2.gz LNABKINMIYQRAA-KRWDZBQOSA-N 0 1 290.451 3.718 20 0 CHADMN Cc1ccc2oc(CN[C@@H](C)c3cncnc3C)cc2c1 ZINC000521069440 333110987 /nfs/dbraw/zinc/11/09/87/333110987.db2.gz JNAHBIBAPBATMA-LBPRGKRZSA-N 0 1 281.359 3.690 20 0 CHADMN Cc1ccc(-c2noc(CN3CCC[C@H](C)CC3)n2)cc1 ZINC000521091835 333111508 /nfs/dbraw/zinc/11/15/08/333111508.db2.gz MJEMDICYUABJDA-ZDUSSCGKSA-N 0 1 285.391 3.667 20 0 CHADMN CCCN(Cc1ncc(-c2ccccc2F)o1)C1CC1 ZINC000172780979 335122149 /nfs/dbraw/zinc/12/21/49/335122149.db2.gz DBTNVISSZLIUGH-UHFFFAOYSA-N 0 1 274.339 3.855 20 0 CHADMN CN(Cc1ccn(-c2ccc(Cl)cc2)n1)C1CCC1 ZINC000184580122 333130148 /nfs/dbraw/zinc/13/01/48/333130148.db2.gz PIRSPFNJRHLGGK-UHFFFAOYSA-N 0 1 275.783 3.510 20 0 CHADMN Cc1nc(CN2CCC[C@H](C)[C@@H]2C)nc2ccccc12 ZINC000172863852 335123844 /nfs/dbraw/zinc/12/38/44/335123844.db2.gz UAIMPPKFIFNZCH-JSGCOSHPSA-N 0 1 269.392 3.559 20 0 CHADMN CC[C@H]1[C@@H](C)CCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000185457696 333141156 /nfs/dbraw/zinc/14/11/56/333141156.db2.gz VIKNKKIOXCIOPR-LRDDRELGSA-N 0 1 289.423 3.718 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2nccnc2C)c(C)c1 ZINC000219103081 333141618 /nfs/dbraw/zinc/14/16/18/333141618.db2.gz UAYOTYTYHREWTM-ZFWWWQNUSA-N 0 1 269.392 3.814 20 0 CHADMN CC[C@@H]1[C@H](C)CCN1Cc1nnc(-c2ccccc2)s1 ZINC000185645276 333145694 /nfs/dbraw/zinc/14/56/94/333145694.db2.gz CXGIOBDTKNWQSC-TZMCWYRMSA-N 0 1 287.432 3.826 20 0 CHADMN C[C@H](CCC1CC1)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000186388234 333159982 /nfs/dbraw/zinc/15/99/82/333159982.db2.gz NHIGXURPQQYOAS-OLZOCXBDSA-N 0 1 285.391 3.966 20 0 CHADMN FC(F)COCCN1CCC[C@@H]1c1ccccc1Cl ZINC000188809518 333174081 /nfs/dbraw/zinc/17/40/81/333174081.db2.gz BYDRLZDHJXKOIO-CYBMUJFWSA-N 0 1 289.753 3.759 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C)C3)n[nH]2)c(C)c1 ZINC000188913370 333175837 /nfs/dbraw/zinc/17/58/37/333175837.db2.gz HDJBVHRPAMGKNM-CYBMUJFWSA-N 0 1 297.402 3.566 20 0 CHADMN CCCc1nc(C)c(CNCc2ccc3[nH]ccc3c2)o1 ZINC000521643347 333180884 /nfs/dbraw/zinc/18/08/84/333180884.db2.gz CRNISMSSTDDZIP-UHFFFAOYSA-N 0 1 283.375 3.707 20 0 CHADMN C[C@H](NCc1cccc2nccn21)c1cc2ccccc2o1 ZINC000189096493 333180928 /nfs/dbraw/zinc/18/09/28/333180928.db2.gz YGUNGCWIEIQVKZ-ZDUSSCGKSA-N 0 1 291.354 3.931 20 0 CHADMN CC(C)CCc1ccc(NC(=O)CN(C)C(C)C)cc1 ZINC000521741385 333186377 /nfs/dbraw/zinc/18/63/77/333186377.db2.gz FJCMBMJBEYIQKJ-UHFFFAOYSA-N 0 1 276.424 3.554 20 0 CHADMN CCC1(CC)CCCN(Cc2nc(C3CC3)no2)CC1 ZINC000190412741 333206527 /nfs/dbraw/zinc/20/65/27/333206527.db2.gz HSUVZLBZKJJRGM-UHFFFAOYSA-N 0 1 277.412 3.739 20 0 CHADMN CCCC[C@@H]1CCC[C@@H]1NCc1nc(C(C)C)no1 ZINC000191827360 333226143 /nfs/dbraw/zinc/22/61/43/333226143.db2.gz FDJPQUAIBDDYQS-OLZOCXBDSA-N 0 1 265.401 3.642 20 0 CHADMN COc1ccc(CNCc2cc(Cl)cs2)cc1F ZINC000192992817 333241192 /nfs/dbraw/zinc/24/11/92/333241192.db2.gz IQNUKAIXUGGQOX-UHFFFAOYSA-N 0 1 285.771 3.839 20 0 CHADMN CC(C)Oc1ccc(CNCc2cc(Cl)cs2)cn1 ZINC000193008405 333241374 /nfs/dbraw/zinc/24/13/74/333241374.db2.gz JIMLEMYYWVJVMB-UHFFFAOYSA-N 0 1 296.823 3.874 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2N[C@H]1COCc2ccccc21 ZINC000225981742 333244267 /nfs/dbraw/zinc/24/42/67/333244267.db2.gz NAHYLKCTINYDMH-HOTGVXAUSA-N 0 1 269.344 3.518 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2COCc3ccccc32)cc1 ZINC000225991436 333244582 /nfs/dbraw/zinc/24/45/82/333244582.db2.gz VEJQYJFRWGDDMF-KSSFIOAISA-N 0 1 267.372 3.917 20 0 CHADMN COc1ncccc1CNC(C)(C)c1cccc(Cl)c1 ZINC000193512524 333252088 /nfs/dbraw/zinc/25/20/88/333252088.db2.gz BJRIEKFIQGTESP-UHFFFAOYSA-N 0 1 290.794 3.769 20 0 CHADMN CCOCCN(CC)Cc1ccc(Cl)cc1Cl ZINC000195736682 333262778 /nfs/dbraw/zinc/26/27/78/333262778.db2.gz UBKYYXCEPGHACQ-UHFFFAOYSA-N 0 1 276.207 3.852 20 0 CHADMN CC(C)c1nc([C@H](C)NCCCOC(F)F)cs1 ZINC000194039094 333264181 /nfs/dbraw/zinc/26/41/81/333264181.db2.gz HTVGRTKIMOAKBS-VIFPVBQESA-N 0 1 278.368 3.546 20 0 CHADMN Cc1noc(C)c1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000194107193 333265598 /nfs/dbraw/zinc/26/55/98/333265598.db2.gz IHMHFZSAOAVJRM-UHFFFAOYSA-N 0 1 281.237 3.854 20 0 CHADMN CCCn1cc(CNCc2ccc(C(C)C)cc2)cn1 ZINC000227285380 333279684 /nfs/dbraw/zinc/27/96/84/333279684.db2.gz HPDCHCNJEYARLL-UHFFFAOYSA-N 0 1 271.408 3.706 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N(C)CCc1ccccn1 ZINC000194985984 333281089 /nfs/dbraw/zinc/28/10/89/333281089.db2.gz NNXMOZCUJGVNIO-GFCCVEGCSA-N 0 1 276.330 3.595 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227815752 333288703 /nfs/dbraw/zinc/28/87/03/333288703.db2.gz BEJZXOPWQKAIMI-XJKCOSOUSA-N 0 1 289.419 3.698 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227831288 333289077 /nfs/dbraw/zinc/28/90/77/333289077.db2.gz XUPOEBHQOBTSIK-NHYWBVRUSA-N 0 1 281.783 3.588 20 0 CHADMN Cc1cnccc1CNCc1ccccc1OC(F)(F)F ZINC000229659725 333307199 /nfs/dbraw/zinc/30/71/99/333307199.db2.gz DLNYYOZDPAXAOZ-UHFFFAOYSA-N 0 1 296.292 3.578 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c1cnn2C)c1csc(Cl)c1 ZINC000230407953 333317772 /nfs/dbraw/zinc/31/77/72/333317772.db2.gz AGJMJUTYZXMSCE-BXKDBHETSA-N 0 1 295.839 3.863 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccc(C(=O)OC)o1)c1cccs1 ZINC000230624620 333319170 /nfs/dbraw/zinc/31/91/70/333319170.db2.gz HRXFVOGTLNPISI-GHMZBOCLSA-N 0 1 293.388 3.930 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](CCc1ccc2ccccc2c1)C1CCC1 ZINC000575936460 335133854 /nfs/dbraw/zinc/13/38/54/335133854.db2.gz VDBOYDYLCCKXPO-AWEZNQCLSA-N 0 1 297.398 3.710 20 0 CHADMN CCC1CCC([N@@H+](C)Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000232921400 333345534 /nfs/dbraw/zinc/34/55/34/333345534.db2.gz GCJZJSGLRUMMHB-UHFFFAOYSA-N 0 1 293.382 3.925 20 0 CHADMN CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000523837459 333347249 /nfs/dbraw/zinc/34/72/49/333347249.db2.gz HBXVXSZZQBXUIH-JKSUJKDBSA-N 0 1 294.483 3.536 20 0 CHADMN C[C@H](c1ccc(OC(F)F)cc1)N1C[C@@H](C)OC(C)(C)C1 ZINC000524080934 333353046 /nfs/dbraw/zinc/35/30/46/333353046.db2.gz CHZNIBMBTLADRF-VXGBXAGGSA-N 0 1 299.361 3.848 20 0 CHADMN CC(C)C[C@@H]1COCCN1Cc1cccc(OC(F)F)c1 ZINC000524354092 333360637 /nfs/dbraw/zinc/36/06/37/333360637.db2.gz KCFUQMGNRCDVAO-CQSZACIVSA-N 0 1 299.361 3.535 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc2c(n1)CCC2 ZINC000575967638 335135881 /nfs/dbraw/zinc/13/58/81/335135881.db2.gz XCIWQWWRWMJOGO-RISCZKNCSA-N 0 1 298.352 3.733 20 0 CHADMN C[C@H](C(=O)OC(C)(C)C)N1CCC[C@@]2(CC=CCC2)C1 ZINC000524596437 333367957 /nfs/dbraw/zinc/36/79/57/333367957.db2.gz CWXUXYDZZQYCTO-PBHICJAKSA-N 0 1 279.424 3.539 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@H](C)[C@@H]3C)n[nH]2)cc1 ZINC000524654184 333370135 /nfs/dbraw/zinc/37/01/35/333370135.db2.gz SMRWESJFLMCQND-KBPBESRZSA-N 0 1 297.402 3.646 20 0 CHADMN Fc1ccc(-n2ccc(CN(C3CC3)C3CCCC3)n2)cc1 ZINC000524755831 333386608 /nfs/dbraw/zinc/38/66/08/333386608.db2.gz IBVGROABDKDWMD-UHFFFAOYSA-N 0 1 299.393 3.918 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1coc2ccccc12 ZINC000316331353 333388168 /nfs/dbraw/zinc/38/81/68/333388168.db2.gz OJXQMGJCXBSGIO-WQVCFCJDSA-N 0 1 299.370 3.651 20 0 CHADMN CCCCc1nc2ccc(NC(=O)C3CC=CC3)cc2[nH]1 ZINC000524819918 333389594 /nfs/dbraw/zinc/38/95/94/333389594.db2.gz DYQNMDOAHKSQRP-UHFFFAOYSA-N 0 1 283.375 3.810 20 0 CHADMN CC(C)C[C@@H]1CCCCCN1C(=O)c1cccc2n[nH]cc21 ZINC000524848398 333390595 /nfs/dbraw/zinc/39/05/95/333390595.db2.gz VKJZIXRDZORJGG-AWEZNQCLSA-N 0 1 299.418 3.994 20 0 CHADMN CC[C@@](C)(CN[C@H](c1ccccc1)c1ccccn1)OC ZINC000322507783 333413948 /nfs/dbraw/zinc/41/39/48/333413948.db2.gz HZOJEDBUSGNREU-MSOLQXFVSA-N 0 1 284.403 3.576 20 0 CHADMN C[C@@H]1C[C@H](N[C@H](c2ccccc2)c2ccccn2)CS1 ZINC000397824595 333429487 /nfs/dbraw/zinc/42/94/87/333429487.db2.gz LCRQSBBYFALSHJ-UKPHBRMFSA-N 0 1 284.428 3.655 20 0 CHADMN C/C(Cl)=C/CN1CCC(N(C)c2ccccc2)CC1 ZINC000528395790 333433723 /nfs/dbraw/zinc/43/37/23/333433723.db2.gz FGFXWATWVZNDOP-ZSOIEALJSA-N 0 1 278.827 3.730 20 0 CHADMN CC(C)[C@H](NCC1CC(C)(C)C1)c1nc(C2CC2)no1 ZINC000528436891 333437624 /nfs/dbraw/zinc/43/76/24/333437624.db2.gz DQQUXZIINBVORD-ZDUSSCGKSA-N 0 1 277.412 3.670 20 0 CHADMN C[C@@H](NCc1cc(CO)ccc1F)c1ccc(Cl)cc1 ZINC000528516787 333443516 /nfs/dbraw/zinc/44/35/16/333443516.db2.gz BQFYPMJFRFTZFN-LLVKDONJSA-N 0 1 293.769 3.822 20 0 CHADMN C[C@H](C[NH2+]Cc1cccc([O-])c1Cl)c1ccccc1 ZINC000328406012 333532321 /nfs/dbraw/zinc/53/23/21/333532321.db2.gz WTQHEJKXULJDPE-GFCCVEGCSA-N 0 1 275.779 3.939 20 0 CHADMN CC[C@H](C)[C@@H](C)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000124266408 333557706 /nfs/dbraw/zinc/55/77/06/333557706.db2.gz RYYWSLVKTAJGDA-XQQFMLRXSA-N 0 1 273.380 3.822 20 0 CHADMN COc1ncccc1CN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000124530217 333559605 /nfs/dbraw/zinc/55/96/05/333559605.db2.gz XZQUXGFXTSJGQS-CQSZACIVSA-N 0 1 296.414 3.820 20 0 CHADMN COc1cc(C)ccc1CN[C@H]1CCc2ccc(F)cc21 ZINC000124558695 333559784 /nfs/dbraw/zinc/55/97/84/333559784.db2.gz PSRWLORZUJPZLO-KRWDZBQOSA-N 0 1 285.362 3.920 20 0 CHADMN CC(C)=CCC[C@@H](C)N[C@H](CO)c1c(F)cccc1F ZINC000537988123 333569407 /nfs/dbraw/zinc/56/94/07/333569407.db2.gz QGCXBBXECZGFMT-IUODEOHRSA-N 0 1 283.362 3.723 20 0 CHADMN Cc1cnn(-c2ccncc2NC/C=C\c2ccccc2)c1 ZINC000538422278 333591598 /nfs/dbraw/zinc/59/15/98/333591598.db2.gz KBGMIJVSCPYZCE-YVMONPNESA-N 0 1 290.370 3.701 20 0 CHADMN CCc1nc2c(s1)[C@@H](NCc1cccc(C)n1)CCC2 ZINC000127264914 333625001 /nfs/dbraw/zinc/62/50/01/333625001.db2.gz ONNXOHWLUHSHGY-ZDUSSCGKSA-N 0 1 287.432 3.576 20 0 CHADMN CCSc1ccc([C@H](C)NCc2ccc(CO)o2)cc1 ZINC000174346719 335152948 /nfs/dbraw/zinc/15/29/48/335152948.db2.gz XDUAPTYHYGAXJJ-LBPRGKRZSA-N 0 1 291.416 3.735 20 0 CHADMN C[C@@H](N[C@@H]1CCCCc2ccccc21)c1nccn1C ZINC000539317833 333665721 /nfs/dbraw/zinc/66/57/21/333665721.db2.gz DIMIFNLGHRHUKU-CZUORRHYSA-N 0 1 269.392 3.538 20 0 CHADMN CCC[C@@H](NCc1nnc(C2CC2)o1)C1CCCCC1 ZINC000539490945 333673293 /nfs/dbraw/zinc/67/32/93/333673293.db2.gz JTKMEBBOBQOFJA-CQSZACIVSA-N 0 1 277.412 3.786 20 0 CHADMN COc1ccccc1CNCc1ccc(Cl)cc1C ZINC000128692305 333699814 /nfs/dbraw/zinc/69/98/14/333699814.db2.gz GLGIQNKXEMYSMP-UHFFFAOYSA-N 0 1 275.779 3.947 20 0 CHADMN Cc1ccsc1[C@@H](CO)N[C@H](C)c1ccc(F)cc1F ZINC000540155087 333714302 /nfs/dbraw/zinc/71/43/02/333714302.db2.gz IAMKLDKEWOQVPX-QMTHXVAHSA-N 0 1 297.370 3.719 20 0 CHADMN CCCCc1noc(CN[C@H](CCCC)C2CCC2)n1 ZINC000541596744 333783293 /nfs/dbraw/zinc/78/32/93/333783293.db2.gz JCUUOJZPHUPMBT-CQSZACIVSA-N 0 1 279.428 3.861 20 0 CHADMN CCCCN[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000541687428 333786978 /nfs/dbraw/zinc/78/69/78/333786978.db2.gz SXMVNFNTJGYJQU-NSHDSACASA-N 0 1 277.343 3.635 20 0 CHADMN C[C@@H]1CCN(C(=O)c2c(O)cccc2F)[C@@H]2CCCC[C@H]12 ZINC000541861828 333795196 /nfs/dbraw/zinc/79/51/96/333795196.db2.gz VTRHMWDAIWHHRL-YRGRVCCFSA-N 0 1 291.366 3.572 20 0 CHADMN CC(C)CCCN[C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000541916046 333800402 /nfs/dbraw/zinc/80/04/02/333800402.db2.gz LMSTVDHLZFQBKQ-QGZVFWFLSA-N 0 1 289.398 3.674 20 0 CHADMN C[C@@H]1CCC[C@H](CCNC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000070549580 333816603 /nfs/dbraw/zinc/81/66/03/333816603.db2.gz VRURECLHEGDDOL-VXGBXAGGSA-N 0 1 295.810 3.992 20 0 CHADMN Cc1ncsc1C[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000576151643 335161213 /nfs/dbraw/zinc/16/12/13/335161213.db2.gz GHMDLVKAEMOBGW-INIZCTEOSA-N 0 1 290.407 3.754 20 0 CHADMN Cc1ccc([C@@H](NCc2ccc(N(C)C)nc2)C2CCC2)o1 ZINC000543600059 333883435 /nfs/dbraw/zinc/88/34/35/333883435.db2.gz AGVVYDZRISTBAL-SFHVURJKSA-N 0 1 299.418 3.680 20 0 CHADMN COc1ccc([C@@H](C)NCc2cncc(C)c2)cc1Cl ZINC000131104177 333901993 /nfs/dbraw/zinc/90/19/93/333901993.db2.gz JJJUHRWAOJCEHI-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN COC[C@H](NCc1csc(C2CCCCC2)n1)C(C)C ZINC000544414386 333930336 /nfs/dbraw/zinc/93/03/36/333930336.db2.gz FJDXMEOIXMYSRY-HNNXBMFYSA-N 0 1 296.480 3.951 20 0 CHADMN CC[C@H](N[C@@H](C)c1cc(C)sc1C)c1ccn(C)n1 ZINC000544580356 333937791 /nfs/dbraw/zinc/93/77/91/333937791.db2.gz ROSBANJSHPXXFR-FZMZJTMJSA-N 0 1 277.437 3.900 20 0 CHADMN CCc1ccc(CNCc2cccc3cccnc32)o1 ZINC000131561197 333949774 /nfs/dbraw/zinc/94/97/74/333949774.db2.gz ADZNLXSXIJNDFF-UHFFFAOYSA-N 0 1 266.344 3.680 20 0 CHADMN CCC[C@H](C)N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000545159308 333965498 /nfs/dbraw/zinc/96/54/98/333965498.db2.gz CXCWGEWYJKFWDO-BLLLJJGKSA-N 0 1 291.826 3.941 20 0 CHADMN Cc1ccc(-c2nnc(CN3CC[C@@H](C)C(C)(C)C3)o2)cc1 ZINC000546126856 334016042 /nfs/dbraw/zinc/01/60/42/334016042.db2.gz LBXILGIPTFZUST-CQSZACIVSA-N 0 1 299.418 3.913 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)N2CCC(C)CC2)n1 ZINC000074981264 334021532 /nfs/dbraw/zinc/02/15/32/334021532.db2.gz BBQCGNZZASYTOW-CQSZACIVSA-N 0 1 285.391 3.838 20 0 CHADMN C(c1nc(C2CCCC2)no1)N1CCC[C@H]1C1CCCC1 ZINC000133432476 334040596 /nfs/dbraw/zinc/04/05/96/334040596.db2.gz XZEHIUTUOJZUEN-HNNXBMFYSA-N 0 1 289.423 3.882 20 0 CHADMN CSc1ccc(OCCN(C)Cc2ccco2)cc1 ZINC000075592679 334046275 /nfs/dbraw/zinc/04/62/75/334046275.db2.gz MTHARPKOSHDXDE-UHFFFAOYSA-N 0 1 277.389 3.512 20 0 CHADMN CCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C)CC1CC1 ZINC000075593678 334046416 /nfs/dbraw/zinc/04/64/16/334046416.db2.gz IUISSVXBZZZMJK-UHFFFAOYSA-N 0 1 294.464 3.734 20 0 CHADMN Cc1sc(NC(=O)CN(C)CC2CCCC2)c(C)c1C ZINC000075675146 334048663 /nfs/dbraw/zinc/04/86/63/334048663.db2.gz ZBRSYCHUYCNOMK-UHFFFAOYSA-N 0 1 294.464 3.734 20 0 CHADMN C[C@H](O)CCN(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000075777714 334050750 /nfs/dbraw/zinc/05/07/50/334050750.db2.gz QDBBRJMZGQOSCA-UWVGGRQHSA-N 0 1 276.207 3.757 20 0 CHADMN c1ccc2oc(C[N@H+]3CCC[C@H]4CCC[C@@H]43)nc2c1 ZINC000075768683 334050789 /nfs/dbraw/zinc/05/07/89/334050789.db2.gz IRZRECLKZDRLJP-OCCSQVGLSA-N 0 1 256.349 3.592 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN2CC[C@H](C)C(C)(C)C2)c1 ZINC000546833629 334051522 /nfs/dbraw/zinc/05/15/22/334051522.db2.gz ZCWRSNNMYJMHQY-HNNXBMFYSA-N 0 1 288.435 3.610 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC(C)(C)C1 ZINC000076015244 334066401 /nfs/dbraw/zinc/06/64/01/334066401.db2.gz HJKYTQARIIZQAS-AWEZNQCLSA-N 0 1 288.435 3.869 20 0 CHADMN OCC[C@H](N[C@H](CC1CC1)c1ccccc1)c1ccco1 ZINC000547400079 334085771 /nfs/dbraw/zinc/08/57/71/334085771.db2.gz OUXJQHNPYOHWEO-DLBZAZTESA-N 0 1 285.387 3.834 20 0 CHADMN Cc1nc(CN(C2CC2)C2CCC(C)CC2)cs1 ZINC000076720664 334087932 /nfs/dbraw/zinc/08/79/32/334087932.db2.gz KZMLCSMXCSGDQJ-UHFFFAOYSA-N 0 1 264.438 3.995 20 0 CHADMN Cc1cc(F)ccc1CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000547507429 334095967 /nfs/dbraw/zinc/09/59/67/334095967.db2.gz JFFBPTDABMEFSH-ZDUSSCGKSA-N 0 1 275.371 3.762 20 0 CHADMN Cc1ccc([C@@H]2[C@H](C)CCCN2Cc2ccon2)cc1 ZINC000077318466 334102366 /nfs/dbraw/zinc/10/23/66/334102366.db2.gz RVBFAYZRFXFUHC-PBHICJAKSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1cccnc1CN(C)CCOc1ccccc1Cl ZINC000547645433 334105304 /nfs/dbraw/zinc/10/53/04/334105304.db2.gz VRIASOPJPGRBEN-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN CCc1nnc(SCCCc2ccc(Cl)cc2)[nH]1 ZINC000077491030 334106439 /nfs/dbraw/zinc/10/64/39/334106439.db2.gz TXUVGXBMHVQPML-UHFFFAOYSA-N 0 1 281.812 3.745 20 0 CHADMN CCc1n[nH]c(SCCCc2ccc(Cl)cc2)n1 ZINC000077491030 334106440 /nfs/dbraw/zinc/10/64/40/334106440.db2.gz TXUVGXBMHVQPML-UHFFFAOYSA-N 0 1 281.812 3.745 20 0 CHADMN C[C@H](NC1(C2CC2)CC1)c1ncc(Br)cc1F ZINC000547654892 334106467 /nfs/dbraw/zinc/10/64/67/334106467.db2.gz YRRIHPAGXZTFPN-QMMMGPOBSA-N 0 1 299.187 3.576 20 0 CHADMN Cc1cnc([C@@H](C)NCc2cccc3[nH]ccc32)s1 ZINC000134909145 334107926 /nfs/dbraw/zinc/10/79/26/334107926.db2.gz DOBZBOWPJKVGFP-LLVKDONJSA-N 0 1 271.389 3.784 20 0 CHADMN CCc1ccccc1CNCc1cc(F)c(F)c(F)c1 ZINC000077901710 334118236 /nfs/dbraw/zinc/11/82/36/334118236.db2.gz GAVQZBBRNMGSNQ-UHFFFAOYSA-N 0 1 279.305 3.956 20 0 CHADMN CC[C@@H](C)Sc1nc(C=Cc2ccccc2)n[nH]1 ZINC000077928292 334119013 /nfs/dbraw/zinc/11/90/13/334119013.db2.gz MWWREEXSEXKFFI-PBQZMEPESA-N 0 1 259.378 3.866 20 0 CHADMN Cc1[nH]c(SCCCF)nc1Cc1ccccc1 ZINC000135201690 334119510 /nfs/dbraw/zinc/11/95/10/334119510.db2.gz MACLELJWIKJDNY-UHFFFAOYSA-N 0 1 264.369 3.761 20 0 CHADMN CC1(C)Cc2cccc(CNCc3cccc(F)c3)c2O1 ZINC000078005714 334120488 /nfs/dbraw/zinc/12/04/88/334120488.db2.gz ZKLVYJHTWMIVKF-UHFFFAOYSA-N 0 1 285.362 3.829 20 0 CHADMN CN(CCC1CC1)Cc1coc(-c2ccc(F)cc2)n1 ZINC000135249304 334121847 /nfs/dbraw/zinc/12/18/47/334121847.db2.gz DOSGRQUUKSOECV-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N(C)CCC1CC1 ZINC000135260621 334122560 /nfs/dbraw/zinc/12/25/60/334122560.db2.gz VBIJWTLWJQLEAM-JTQLQIEISA-N 0 1 277.393 3.591 20 0 CHADMN CC[C@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000079055447 334146729 /nfs/dbraw/zinc/14/67/29/334146729.db2.gz ULRMZXMONPCDCN-NSHDSACASA-N 0 1 281.783 3.698 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cc(C)ccc1F ZINC000136183100 334148998 /nfs/dbraw/zinc/14/89/98/334148998.db2.gz VXHNOCBUJGMHNE-UHFFFAOYSA-N 0 1 275.327 3.541 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cn3ccccc3n2)cc1 ZINC000079872733 334163550 /nfs/dbraw/zinc/16/35/50/334163550.db2.gz VCMGRIALCKAOLG-OAHLLOKOSA-N 0 1 279.387 3.836 20 0 CHADMN CCCC[C@@H](CC)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000080871688 334174894 /nfs/dbraw/zinc/17/48/94/334174894.db2.gz PJNNWZXHDCIQFV-LLVKDONJSA-N 0 1 291.370 3.535 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)c1cn[nH]c1C(C)(C)C ZINC000548987091 334181953 /nfs/dbraw/zinc/18/19/53/334181953.db2.gz JENKLQALXOAAAC-UHFFFAOYSA-N 0 1 291.782 3.921 20 0 CHADMN C[C@@H]1CN(Cc2sccc2Cl)C[C@@H](C)S1 ZINC000549348985 334190770 /nfs/dbraw/zinc/19/07/70/334190770.db2.gz NZUMVCHJQWTXDO-RKDXNWHRSA-N 0 1 261.843 3.727 20 0 CHADMN CC[C@H]1CN(Cc2nccn2CC)CC[C@H]1c1ccccc1 ZINC000245410688 334190923 /nfs/dbraw/zinc/19/09/23/334190923.db2.gz SINGWYLFZBMABJ-FUHWJXTLSA-N 0 1 297.446 3.919 20 0 CHADMN Fc1cccc(CN2CCC([C@H]3CCCO3)CC2)c1Cl ZINC000549612437 334199297 /nfs/dbraw/zinc/19/92/97/334199297.db2.gz QHXUCFZVAJIUQS-OAHLLOKOSA-N 0 1 297.801 3.870 20 0 CHADMN Fc1cccc(CN2CCC([C@@H]3CCCO3)CC2)c1Cl ZINC000549612436 334199732 /nfs/dbraw/zinc/19/97/32/334199732.db2.gz QHXUCFZVAJIUQS-HNNXBMFYSA-N 0 1 297.801 3.870 20 0 CHADMN CC1(C)C[N@H+]([C@@H]2C=CCCCCC2)[C@H]1[C@@H]1CCCO1 ZINC000549717952 334202845 /nfs/dbraw/zinc/20/28/45/334202845.db2.gz LZEJCRYCPPJESH-PMPSAXMXSA-N 0 1 263.425 3.765 20 0 CHADMN CC[C@H](C(=O)N(C)c1ccccc1)N(C)Cc1ccccc1 ZINC000549738149 334203393 /nfs/dbraw/zinc/20/33/93/334203393.db2.gz LWCHGFSWUZCWGC-GOSISDBHSA-N 0 1 296.414 3.560 20 0 CHADMN F[C@@]1(c2cccc(Cl)c2)CCN(C[C@@H]2CCSC2)C1 ZINC000549821281 334205921 /nfs/dbraw/zinc/20/59/21/334205921.db2.gz RLOXSAOIRZXKDM-WFASDCNBSA-N 0 1 299.842 3.964 20 0 CHADMN Cc1nc(CN(C)[C@@H]2CC[C@H](C)C2)nc2ccccc12 ZINC000549918425 334208643 /nfs/dbraw/zinc/20/86/43/334208643.db2.gz FARVXHMSPUGCCN-GXTWGEPZSA-N 0 1 269.392 3.559 20 0 CHADMN C[C@H]1CN(Cc2cc(-c3ccc(Cl)cc3)no2)[C@H]1C ZINC000549923227 334209088 /nfs/dbraw/zinc/20/90/88/334209088.db2.gz CUXLYFDPCOAYRB-QWRGUYRKSA-N 0 1 276.767 3.835 20 0 CHADMN C[C@H]1CCN(Cc2cccc(F)c2Cl)CCS1 ZINC000549997036 334210951 /nfs/dbraw/zinc/21/09/51/334210951.db2.gz UOMFVPUIKQUICF-JTQLQIEISA-N 0 1 273.804 3.807 20 0 CHADMN CC(C)(C)CCCNCc1c(F)ccc(O)c1F ZINC000552004328 334272954 /nfs/dbraw/zinc/27/29/54/334272954.db2.gz RSVREEAHBOXBMR-UHFFFAOYSA-N 0 1 257.324 3.586 20 0 CHADMN CC(C)(C)CCC[NH2+]Cc1c(F)ccc([O-])c1F ZINC000552004328 334272955 /nfs/dbraw/zinc/27/29/55/334272955.db2.gz RSVREEAHBOXBMR-UHFFFAOYSA-N 0 1 257.324 3.586 20 0 CHADMN CCCC[C@@H](C)N(CCCC)Cc1nnc2n1CCCC2 ZINC000550372202 334221114 /nfs/dbraw/zinc/22/11/14/334221114.db2.gz ONCDHSSGKZEZBX-OAHLLOKOSA-N 0 1 292.471 3.795 20 0 CHADMN C[C@@H]1CCN(Cc2coc(-c3ccccc3)n2)C[C@H]1C ZINC000245862736 334222058 /nfs/dbraw/zinc/22/20/58/334222058.db2.gz FQVGVVGZNMGUJB-ZIAGYGMSSA-N 0 1 270.376 3.820 20 0 CHADMN COCCN1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000550629133 334225619 /nfs/dbraw/zinc/22/56/19/334225619.db2.gz PZPBSCDRRSFNMH-AWEZNQCLSA-N 0 1 287.325 3.879 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@H]2N[C@@H]1CCC[C@@H]1F ZINC000550928807 334233681 /nfs/dbraw/zinc/23/36/81/334233681.db2.gz SGUWQZGWCJXBAK-RRFJBIMHSA-N 0 1 263.356 3.689 20 0 CHADMN COC[C@@H](N[C@H]1CCC[C@H]1F)c1ccc(Cl)cc1 ZINC000550928985 334233690 /nfs/dbraw/zinc/23/36/90/334233690.db2.gz UMZUAKCITGWOTD-HZSPNIEDSA-N 0 1 271.763 3.508 20 0 CHADMN COC[C@H](N[C@H]1CCC[C@H]1F)c1ccc(Cl)cc1 ZINC000550928986 334233760 /nfs/dbraw/zinc/23/37/60/334233760.db2.gz UMZUAKCITGWOTD-RDBSUJKOSA-N 0 1 271.763 3.508 20 0 CHADMN C[C@@H]1CN(C[C@H]2CCC(F)(F)C2)[C@@H](c2ccccc2)CO1 ZINC000551063533 334237760 /nfs/dbraw/zinc/23/77/60/334237760.db2.gz SVCSCAUCWGZMCH-IJEWVQPXSA-N 0 1 295.373 3.884 20 0 CHADMN C[C@@H]1CN(C[C@H]2CCC(F)(F)C2)C[C@H](c2ccccc2)O1 ZINC000551088729 334238286 /nfs/dbraw/zinc/23/82/86/334238286.db2.gz FUVLZDOLLAWBBX-IJEWVQPXSA-N 0 1 295.373 3.884 20 0 CHADMN CCCN1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000551119540 334238973 /nfs/dbraw/zinc/23/89/73/334238973.db2.gz HBNUUVPCJKCQMN-CYBMUJFWSA-N 0 1 293.317 3.562 20 0 CHADMN CC(F)(F)CN[C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000551263118 334243331 /nfs/dbraw/zinc/24/33/31/334243331.db2.gz MNPMZVMVJHFANW-CHWSQXEVSA-N 0 1 257.299 3.707 20 0 CHADMN Cc1nc(CN2CCS[C@@H]3CCCC[C@H]32)sc1C ZINC000246232933 334243940 /nfs/dbraw/zinc/24/39/40/334243940.db2.gz MXEHKTYCELXUTB-CHWSQXEVSA-N 0 1 282.478 3.620 20 0 CHADMN FCCCCCSc1nc(-c2ccccc2)n[nH]1 ZINC000551402832 334249334 /nfs/dbraw/zinc/24/93/34/334249334.db2.gz ACPLADKZTVCROO-UHFFFAOYSA-N 0 1 265.357 3.704 20 0 CHADMN CC[C@H]1CCN([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000246302269 334249812 /nfs/dbraw/zinc/24/98/12/334249812.db2.gz VJDZPIGRNWCDMX-NEPJUHHUSA-N 0 1 250.386 3.765 20 0 CHADMN C[C@H]1CN(CCc2ccccc2)C[C@@H](c2ccsc2)O1 ZINC000246315057 334250321 /nfs/dbraw/zinc/25/03/21/334250321.db2.gz CUMVMOFWACJGFI-YOEHRIQHSA-N 0 1 287.428 3.753 20 0 CHADMN CC(C)[C@H]1CCCN([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000246684986 334266975 /nfs/dbraw/zinc/26/69/75/334266975.db2.gz HRBZBVSYZIQOTA-OLZOCXBDSA-N 0 1 277.412 3.766 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc(C)ccn2)cc1Cl ZINC000552062732 334283735 /nfs/dbraw/zinc/28/37/35/334283735.db2.gz FAQDVJUYVLXUDH-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN c1csc(-c2noc(CN3CCC[C@@H]4CCC[C@H]43)n2)c1 ZINC000247531897 334284486 /nfs/dbraw/zinc/28/44/86/334284486.db2.gz OHHUPUYFCWBEHC-NWDGAFQWSA-N 0 1 289.404 3.563 20 0 CHADMN Cc1cc2cc(CN[C@@H](C)c3ccoc3)ccc2[nH]1 ZINC000552074969 334286404 /nfs/dbraw/zinc/28/64/04/334286404.db2.gz CERILFIOGOMVQG-LBPRGKRZSA-N 0 1 254.333 3.920 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCCC[C@@H](C)C2)n1 ZINC000248539367 334305536 /nfs/dbraw/zinc/30/55/36/334305536.db2.gz AQWRMOLNSTWXIF-CHWSQXEVSA-N 0 1 265.401 3.595 20 0 CHADMN FC(F)Oc1ccc(Cl)cc1CNCc1cc[nH]c1 ZINC000086255609 334306064 /nfs/dbraw/zinc/30/60/64/334306064.db2.gz WNUSKYXOTGNCRR-UHFFFAOYSA-N 0 1 286.709 3.559 20 0 CHADMN CC(C)[C@H]1N(Cc2cnc(C3CC3)s2)CC1(C)C ZINC000552292021 334313969 /nfs/dbraw/zinc/31/39/69/334313969.db2.gz BMRQZPNDXNQKNV-CYBMUJFWSA-N 0 1 264.438 3.887 20 0 CHADMN CCc1nocc1CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000552316770 334316344 /nfs/dbraw/zinc/31/63/44/334316344.db2.gz LNRLZBUZHNGNRC-ZDUSSCGKSA-N 0 1 290.794 3.880 20 0 CHADMN C[C@@H](NC1C[C@H](C)C[C@@H](C)C1)c1nc(C(C)(C)C)no1 ZINC000248844156 334319501 /nfs/dbraw/zinc/31/95/01/334319501.db2.gz MPHCQQHDROAPJE-IJLUTSLNSA-N 0 1 279.428 3.842 20 0 CHADMN CC(C)COc1ccc(CN2CCC[C@H]2CF)cc1 ZINC000552390915 334322960 /nfs/dbraw/zinc/32/29/60/334322960.db2.gz OQHYKJHFRJIKCH-HNNXBMFYSA-N 0 1 265.372 3.655 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1nccnc1C)[C@@H](C)C2 ZINC000249195486 334329852 /nfs/dbraw/zinc/32/98/52/334329852.db2.gz QKNNRRBVHVWWPP-DXCKQFNASA-N 0 1 281.403 3.678 20 0 CHADMN C[C@@H]1CC[C@H](N[C@H](c2ncc[nH]2)c2ccccc2)C[C@H]1C ZINC000249188610 334329861 /nfs/dbraw/zinc/32/98/61/334329861.db2.gz MLXZNSCYONFJGR-JHNDHUHGSA-N 0 1 283.419 3.913 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000249209489 334330209 /nfs/dbraw/zinc/33/02/09/334330209.db2.gz XPSMOQUIESMJHR-ZUCKAHLUSA-N 0 1 299.393 3.898 20 0 CHADMN CCCCCNC(=O)[C@H](C)N1CCC[C@H]1c1cccs1 ZINC000249317584 334331911 /nfs/dbraw/zinc/33/19/11/334331911.db2.gz KAAPIOBXBVMNQP-KBPBESRZSA-N 0 1 294.464 3.580 20 0 CHADMN CCO[C@H](C)c1noc(CN(CC)[C@@H]2CCCC[C@H]2C)n1 ZINC000249325052 334332141 /nfs/dbraw/zinc/33/21/41/334332141.db2.gz GSXSBMGYWCQHIO-MGPQQGTHSA-N 0 1 295.427 3.568 20 0 CHADMN CC[C@@H](COC)N[C@H](c1ccccc1)c1ccccc1OC ZINC000089554935 334346556 /nfs/dbraw/zinc/34/65/56/334346556.db2.gz HBSVOOPVLCTKTE-QFBILLFUSA-N 0 1 299.414 3.799 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)NCc1ccn(C)c1 ZINC000091008232 334370761 /nfs/dbraw/zinc/37/07/61/334370761.db2.gz MTEXKLIUIVTWEB-AWEZNQCLSA-N 0 1 272.392 3.663 20 0 CHADMN CCCN1CCc2cc(Br)cc(C)c2C1 ZINC000553404379 334382957 /nfs/dbraw/zinc/38/29/57/334382957.db2.gz ZDFWIZUTNWXOQE-UHFFFAOYSA-N 0 1 268.198 3.526 20 0 CHADMN CCc1ccsc1C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000553485371 334387900 /nfs/dbraw/zinc/38/79/00/334387900.db2.gz LPNHJFLENDTBEL-UHFFFAOYSA-N 0 1 285.372 3.748 20 0 CHADMN COc1ccc(CNCc2ccc(SC)cc2)c(F)c1 ZINC000553514970 334389393 /nfs/dbraw/zinc/38/93/93/334389393.db2.gz SXXHVSYMNVTBKC-UHFFFAOYSA-N 0 1 291.391 3.846 20 0 CHADMN Cc1ccc2nc(NC(=O)C3(C(F)F)CCCC3)[nH]c2c1 ZINC000553814617 334399651 /nfs/dbraw/zinc/39/96/51/334399651.db2.gz XUAMWDYQUPRZAK-UHFFFAOYSA-N 0 1 293.317 3.635 20 0 CHADMN Cc1ccoc1CN[C@H]1c2cc(F)ccc2C[C@H]1C ZINC000553898686 334402763 /nfs/dbraw/zinc/40/27/63/334402763.db2.gz OMTZKUXSFDDQPR-BDJLRTHQSA-N 0 1 259.324 3.750 20 0 CHADMN Cc1ccc(CN[C@@H]2c3ccc(F)cc3O[C@H]2C)s1 ZINC000554719652 334448249 /nfs/dbraw/zinc/44/82/49/334448249.db2.gz FVCRLMDEGKDSNY-BONVTDFDSA-N 0 1 277.364 3.807 20 0 CHADMN COc1ccc(F)c(CN[C@H]2CCc3ccc(F)cc32)c1 ZINC000555550696 334481191 /nfs/dbraw/zinc/48/11/91/334481191.db2.gz WNMYWNJPJUCEJI-KRWDZBQOSA-N 0 1 289.325 3.751 20 0 CHADMN CCCOCc1ccccc1CN[C@@H](C)c1cncnc1C ZINC000565216225 334545574 /nfs/dbraw/zinc/54/55/74/334545574.db2.gz JLGLUQOMNRHKJV-AWEZNQCLSA-N 0 1 299.418 3.562 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1cscn1 ZINC000565409120 334560395 /nfs/dbraw/zinc/56/03/95/334560395.db2.gz LYNLOOHZOBRAGC-CYZMBNFOSA-N 0 1 282.453 3.776 20 0 CHADMN COc1cccc(CN2CC(C3CCC3)C2)c1OC(C)C ZINC000565685460 334587481 /nfs/dbraw/zinc/58/74/81/334587481.db2.gz YILBJSGKDQLSSF-UHFFFAOYSA-N 0 1 289.419 3.714 20 0 CHADMN CC(C)(C)c1nc(CN[C@@H]2CC(C)(C)OC2(C)C)cs1 ZINC000153418347 334599465 /nfs/dbraw/zinc/59/94/65/334599465.db2.gz KQQHLBSCLKGQRZ-GFCCVEGCSA-N 0 1 296.480 3.876 20 0 CHADMN F[C@H]1CCC[C@H]1N[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000566394370 334645781 /nfs/dbraw/zinc/64/57/81/334645781.db2.gz QGBQRBLZGBNHBC-XYJFISCASA-N 0 1 299.393 3.730 20 0 CHADMN COC[C@@H](N[C@H](C)c1nc(C(C)(C)C)cs1)C1CC1 ZINC000154057435 334686571 /nfs/dbraw/zinc/68/65/71/334686571.db2.gz NDQATTJHFVXLBZ-ZYHUDNBSSA-N 0 1 282.453 3.516 20 0 CHADMN CCCOc1ncccc1CN[C@H]1CCc2ccccc21 ZINC000154694718 334701965 /nfs/dbraw/zinc/70/19/65/334701965.db2.gz VHPCZLBCQXQIAT-KRWDZBQOSA-N 0 1 282.387 3.648 20 0 CHADMN Cc1ncncc1[C@H](C)NC1(c2ccccc2)CCC1 ZINC000567520086 334727925 /nfs/dbraw/zinc/72/79/25/334727925.db2.gz ZCHXBVHNSGEERJ-AWEZNQCLSA-N 0 1 267.376 3.515 20 0 CHADMN CCn1ccnc1CN[C@H]1CC[C@H](C)c2ccccc21 ZINC000269816023 334729762 /nfs/dbraw/zinc/72/97/62/334729762.db2.gz NUKXEPWNLAIMAU-BBRMVZONSA-N 0 1 269.392 3.631 20 0 CHADMN C[C@H](N[C@@H]1c2cccc(F)c2CC[C@@H]1C)c1cnccn1 ZINC000163289299 334817533 /nfs/dbraw/zinc/81/75/33/334817533.db2.gz URIXDVJXPDDXQB-PRXAMGSTSA-N 0 1 285.366 3.590 20 0 CHADMN COc1ncc(CN2CCC(C)(C3CC3)CC2)cc1Cl ZINC000572685215 334871176 /nfs/dbraw/zinc/87/11/76/334871176.db2.gz IRIBTUDNLZRKPN-UHFFFAOYSA-N 0 1 294.826 3.756 20 0 CHADMN CC(C)[C@@H](NCC(F)(F)c1ccccc1)C1CC1 ZINC000323960778 334880632 /nfs/dbraw/zinc/88/06/32/334880632.db2.gz GNWVTDNQLLLRRV-CQSZACIVSA-N 0 1 253.336 3.803 20 0 CHADMN CC(C)n1ccc(CN[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)n1 ZINC000576445187 335204179 /nfs/dbraw/zinc/20/41/79/335204179.db2.gz YTINEGDUYDPNJB-LSDHHAIUSA-N 0 1 293.455 3.536 20 0 CHADMN Cc1ccc(CNCc2csc3ccccc23)nc1 ZINC000343629259 335212431 /nfs/dbraw/zinc/21/24/31/335212431.db2.gz RBBDSJYGROWNJV-UHFFFAOYSA-N 0 1 268.385 3.895 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](CCc1ccccc1C(=O)[O-])C1CC1 ZINC000576590167 335223534 /nfs/dbraw/zinc/22/35/34/335223534.db2.gz RNDZBSDRDMTPPN-ZDUSSCGKSA-N 0 1 299.370 3.746 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](CCc1ccccc1C(=O)[O-])C1CC1 ZINC000576590166 335223553 /nfs/dbraw/zinc/22/35/53/335223553.db2.gz RNDZBSDRDMTPPN-CYBMUJFWSA-N 0 1 299.370 3.746 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@H]1CCSc2ccccc21 ZINC000576766968 335245656 /nfs/dbraw/zinc/24/56/56/335245656.db2.gz CSJJQGXOFQUOMW-DOMZBBRYSA-N 0 1 285.416 3.673 20 0 CHADMN C[C@]1(c2ccccc2)CN(CCc2ccccc2F)CCO1 ZINC000576878499 335259435 /nfs/dbraw/zinc/25/94/35/335259435.db2.gz NKGDZYUTKOKTKM-LJQANCHMSA-N 0 1 299.389 3.616 20 0 CHADMN Cc1ccccc1CN[C@@H]1c2ccccc2O[C@@H]1C ZINC000576903051 335262371 /nfs/dbraw/zinc/26/23/71/335262371.db2.gz QLXVWTNDTQNQNM-DYVFJYSZSA-N 0 1 253.345 3.607 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2cc(C(C)=O)no2)CC1 ZINC000580566665 335283015 /nfs/dbraw/zinc/28/30/15/335283015.db2.gz AKKHAPJLHWJCLV-UHFFFAOYSA-N 0 1 278.396 3.670 20 0 CHADMN CCC1(CC)CCCN(Cc2cc(C(C)=O)no2)CC1 ZINC000580566665 335283016 /nfs/dbraw/zinc/28/30/16/335283016.db2.gz AKKHAPJLHWJCLV-UHFFFAOYSA-N 0 1 278.396 3.670 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000577125394 335305289 /nfs/dbraw/zinc/30/52/89/335305289.db2.gz BQVHNVPBDCBMNN-ZRLZJUFWSA-N 0 1 293.794 3.729 20 0 CHADMN C[C@@H]1CCC[C@H](c2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000580659791 335314922 /nfs/dbraw/zinc/31/49/22/335314922.db2.gz SDBMJCFAWYBRAB-PWSUYJOCSA-N 0 1 282.347 3.907 20 0 CHADMN Fc1cccc(C=C2CCN(CCOCC(F)F)CC2)c1 ZINC000577542395 335366610 /nfs/dbraw/zinc/36/66/10/335366610.db2.gz UJNBCQYZSQKYIE-UHFFFAOYSA-N 0 1 299.336 3.587 20 0 CHADMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc(C(=O)[O-])ccc1Cl ZINC000577642490 335385006 /nfs/dbraw/zinc/38/50/06/335385006.db2.gz IQTQLJADUIVOSC-MFKMUULPSA-N 0 1 281.783 3.659 20 0 CHADMN COc1cc(CN2CC(C)C2)ccc1OCc1ccccc1 ZINC000577891815 335418233 /nfs/dbraw/zinc/41/82/33/335418233.db2.gz QGMFJPFFKUGHKB-UHFFFAOYSA-N 0 1 297.398 3.726 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccsc1)c1ccc(OC)cc1 ZINC000349418669 335465849 /nfs/dbraw/zinc/46/58/49/335465849.db2.gz QBKBCNQYSZVAQP-HZPDHXFCSA-N 0 1 291.416 3.531 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1ccc2c(c1)COC2 ZINC000349422652 335466192 /nfs/dbraw/zinc/46/61/92/335466192.db2.gz SVXCVPOKFYABOP-LLVKDONJSA-N 0 1 289.400 3.638 20 0 CHADMN Cc1cccc([C@H](C)N[C@H](CO)c2ccsc2)c1C ZINC000349428329 335467278 /nfs/dbraw/zinc/46/72/78/335467278.db2.gz YTTBPSXCYNCWRF-XJKSGUPXSA-N 0 1 275.417 3.749 20 0 CHADMN COC(=O)CC[C@H](N[C@@H](C)c1ccoc1)c1ccccc1 ZINC000180671127 335616432 /nfs/dbraw/zinc/61/64/32/335616432.db2.gz QPWHNESBZAVCRF-BBRMVZONSA-N 0 1 287.359 3.625 20 0 CHADMN CSc1ccc(CN2C[C@H](C)S[C@@H](C)C2)s1 ZINC000578944280 335691604 /nfs/dbraw/zinc/69/16/04/335691604.db2.gz YPIJBDMVENSQHO-UWVGGRQHSA-N 0 1 273.492 3.796 20 0 CHADMN Cc1nsc(C)c1CN[C@H](c1ncccc1C)C(C)C ZINC000579579082 335810208 /nfs/dbraw/zinc/81/02/08/335810208.db2.gz DXMMUBCTGLSJLH-HNNXBMFYSA-N 0 1 289.448 3.950 20 0 CHADMN CO[C@]1(C)C[C@H](NCc2ncc(C(C)C)s2)C1(C)C ZINC000183832981 335908734 /nfs/dbraw/zinc/90/87/34/335908734.db2.gz NYNJREKOXQHJHV-SWLSCSKDSA-N 0 1 282.453 3.560 20 0 CHADMN CO[C@@]1(C)C[C@H](NCc2ncc(C(C)C)s2)C1(C)C ZINC000183833011 335908777 /nfs/dbraw/zinc/90/87/77/335908777.db2.gz NYNJREKOXQHJHV-WFASDCNBSA-N 0 1 282.453 3.560 20 0 CHADMN OC[C@@H](NCCC1CCCCC1)c1c(F)cccc1F ZINC000581079293 336005251 /nfs/dbraw/zinc/00/52/51/336005251.db2.gz XKUYSPUJDNLTSL-OAHLLOKOSA-N 0 1 283.362 3.558 20 0 CHADMN CCC(C)(C)C(=O)CSc1nc2ccc(OC)cc2[nH]1 ZINC000380822744 336033558 /nfs/dbraw/zinc/03/35/58/336033558.db2.gz QENYMPUJCWNZKW-UHFFFAOYSA-N 0 1 292.404 3.669 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000581276916 336035766 /nfs/dbraw/zinc/03/57/66/336035766.db2.gz FUQQEEVXIJHWHT-UHFFFAOYSA-N 0 1 274.408 3.724 20 0 CHADMN [O-]c1cccnc1C[N@H+]1CCCC2(C1)CCCCCC2 ZINC000581276916 336035768 /nfs/dbraw/zinc/03/57/68/336035768.db2.gz FUQQEEVXIJHWHT-UHFFFAOYSA-N 0 1 274.408 3.724 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2cccc(OC)c2)nc1 ZINC000380926110 336039715 /nfs/dbraw/zinc/03/97/15/336039715.db2.gz TVSBJRIXLVBMOC-ZDUSSCGKSA-N 0 1 270.376 3.503 20 0 CHADMN Clc1ccsc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000581298271 336040954 /nfs/dbraw/zinc/04/09/54/336040954.db2.gz TWTUZNCIHSALLH-RYUDHWBXSA-N 0 1 285.840 3.650 20 0 CHADMN CCCCOCCNCc1csc(Cl)c1Cl ZINC000381411392 336061986 /nfs/dbraw/zinc/06/19/86/336061986.db2.gz URCOUFXHJRIYHF-UHFFFAOYSA-N 0 1 282.236 3.961 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C[C@H]1C ZINC000381515844 336067269 /nfs/dbraw/zinc/06/72/69/336067269.db2.gz LRERSGIEQLFZOY-GHMZBOCLSA-N 0 1 281.783 3.516 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)CC1 ZINC000381546290 336067848 /nfs/dbraw/zinc/06/78/48/336067848.db2.gz SWSQJBORKIWHMW-NSHDSACASA-N 0 1 281.783 3.660 20 0 CHADMN CC1(C)[C@H](C(F)(F)F)CCN1Cc1cc(O)cc(F)c1 ZINC000381864405 336074731 /nfs/dbraw/zinc/07/47/31/336074731.db2.gz YSCAHMBGGUODMU-GFCCVEGCSA-N 0 1 291.288 3.694 20 0 CHADMN Brc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)o1 ZINC000382126592 336082255 /nfs/dbraw/zinc/08/22/55/336082255.db2.gz VJFHKBUFQSKLEP-JQWIXIFHSA-N 0 1 284.197 3.807 20 0 CHADMN CCC1([NH2+]Cc2cccc([O-])c2Cl)CCCC1 ZINC000382595898 336094770 /nfs/dbraw/zinc/09/47/70/336094770.db2.gz IDONAWIMCRIXJV-UHFFFAOYSA-N 0 1 253.773 3.858 20 0 CHADMN CCC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000581553959 336102124 /nfs/dbraw/zinc/10/21/24/336102124.db2.gz MCSXLYNPUSUWTD-GFCCVEGCSA-N 0 1 279.355 3.536 20 0 CHADMN CC(C)C[C@@H](C)CNCc1cc(COC(C)(C)C)on1 ZINC000581574856 336105000 /nfs/dbraw/zinc/10/50/00/336105000.db2.gz PQPSLBRRVCWEBP-CYBMUJFWSA-N 0 1 282.428 3.762 20 0 CHADMN Cc1nnsc1CNCc1ccc(-c2ccccc2)cc1 ZINC000384280591 336122969 /nfs/dbraw/zinc/12/29/69/336122969.db2.gz ULZUPTLZAHGYOE-UHFFFAOYSA-N 0 1 295.411 3.803 20 0 CHADMN CC(C)C[C@@H]1CCN(Cc2cc(C(C)(C)C)on2)C1 ZINC000581695324 336129206 /nfs/dbraw/zinc/12/92/06/336129206.db2.gz DDDQWAMBKBSCTE-ZDUSSCGKSA-N 0 1 264.413 3.840 20 0 CHADMN CC/C=C/CNCc1nc(-c2ccccc2)cs1 ZINC000385036034 336136308 /nfs/dbraw/zinc/13/63/08/336136308.db2.gz QORZDOQOSNECPX-XVNBXDOJSA-N 0 1 258.390 3.866 20 0 CHADMN C[C@H](O)[C@H](N[C@H]1CCc2ccccc21)c1ccccc1F ZINC000581730568 336139413 /nfs/dbraw/zinc/13/94/13/336139413.db2.gz MIJRARSYENENPE-IGNZVWTISA-N 0 1 285.362 3.525 20 0 CHADMN CC[C@H](C)Cc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000581909896 336164590 /nfs/dbraw/zinc/16/45/90/336164590.db2.gz YBLMFXPIWCQHKD-VIFPVBQESA-N 0 1 270.336 3.510 20 0 CHADMN CCC[C@H](OC)c1noc(-c2ccc(O)c(Cl)c2)n1 ZINC000157389315 521194074 /nfs/dbraw/zinc/19/40/74/521194074.db2.gz KNCQPDLFJAKLMD-NSHDSACASA-N 0 1 282.727 3.583 20 0 CHADMN CCOCCC1(C[NH2+]Cc2cccc([O-])c2Cl)CCC1 ZINC000293308946 521691063 /nfs/dbraw/zinc/69/10/63/521691063.db2.gz QAWWEMUTPFJVLY-UHFFFAOYSA-N 0 1 297.826 3.732 20 0 CHADMN COc1cccc([C@@H]2C[C@H](C)CN2Cc2conc2C)c1 ZINC000352859163 533741900 /nfs/dbraw/zinc/74/19/00/533741900.db2.gz RIZDOWTUTMKMBB-SJCJKPOMSA-N 0 1 286.375 3.575 20 0 CHADMN C[C@@H]1CCC[C@H](CC(=O)Nc2ccc3nc[nH]c3c2)C1 ZINC000352631567 533834689 /nfs/dbraw/zinc/83/46/89/533834689.db2.gz XOQZSBNGZKFMNQ-NEPJUHHUSA-N 0 1 271.364 3.718 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2c2ccc(F)cc2C)nn1 ZINC000334880828 533931019 /nfs/dbraw/zinc/93/10/19/533931019.db2.gz GLWKECIZSAKXGK-KRWDZBQOSA-N 0 1 285.366 3.570 20 0 CHADMN C[C@H](NCc1ccccc1F)c1ccc(-n2cccn2)cc1 ZINC000344581941 533934055 /nfs/dbraw/zinc/93/40/55/533934055.db2.gz QUZMFPMXBJFSPK-AWEZNQCLSA-N 0 1 295.361 3.862 20 0 CHADMN Cc1ccc(CN2CCc3cc(F)ccc3C2)s1 ZINC000354748840 533954972 /nfs/dbraw/zinc/95/49/72/533954972.db2.gz LBNFKWUZLQFDEM-UHFFFAOYSA-N 0 1 261.365 3.754 20 0 CHADMN C[C@H](N[C@@H](c1nccn1C)C1CC1)c1cccc(Cl)c1 ZINC000353872520 533980877 /nfs/dbraw/zinc/98/08/77/533980877.db2.gz VVXYDXYFJHTAMV-XHDPSFHLSA-N 0 1 289.810 3.875 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H]1C)c1nc(C2CCCCC2)no1 ZINC000330142060 533982185 /nfs/dbraw/zinc/98/21/85/533982185.db2.gz XZXMJDNNNHPRNU-SGMGOOAPSA-N 0 1 277.412 3.957 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC(c2c[nH]cn2)CC1 ZINC000336525543 534055572 /nfs/dbraw/zinc/05/55/72/534055572.db2.gz BXTQDVNZEVMTLY-NSHDSACASA-N 0 1 291.345 3.629 20 0 CHADMN C[C@H]1C[C@@H](CN(Cc2ccco2)Cc2ccco2)CCO1 ZINC000352743455 534079277 /nfs/dbraw/zinc/07/92/77/534079277.db2.gz IBSXTUXZOCOKSA-GJZGRUSLSA-N 0 1 289.375 3.690 20 0 CHADMN Cc1ccc(-c2ccc(CNCc3ccn(C)c3)o2)cc1 ZINC000344599378 534187603 /nfs/dbraw/zinc/18/76/03/534187603.db2.gz FJPAOZNOKSJZAZ-UHFFFAOYSA-N 0 1 280.371 3.883 20 0 CHADMN C[C@@H]1CC[C@@H]1N[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000353801695 534202000 /nfs/dbraw/zinc/20/20/00/534202000.db2.gz FWTVPZQMTIPZCQ-ZTFRIQLXSA-N 0 1 288.341 3.837 20 0 CHADMN CSc1ccc(CN2CCS[C@H](C)[C@H]2C)s1 ZINC000356122344 534206698 /nfs/dbraw/zinc/20/66/98/534206698.db2.gz GRHWOUSSSMYACO-NXEZZACHSA-N 0 1 273.492 3.796 20 0 CHADMN O=C(CCC1CCC1)Nc1cc(F)cc(Cl)c1O ZINC000353887089 534328428 /nfs/dbraw/zinc/32/84/28/534328428.db2.gz HZDZRTNCOCDOOQ-UHFFFAOYSA-N 0 1 271.719 3.704 20 0 CHADMN CO[C@@]1(C)C[C@H](NCc2nc(C(C)(C)C)cs2)C1(C)C ZINC000446964877 518115100 /nfs/dbraw/zinc/11/51/00/518115100.db2.gz DDWOMKBQZIJEMF-ZBEGNZNMSA-N 0 1 296.480 3.734 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(C2CC2)cc1)c1ccncn1 ZINC000417361903 518178464 /nfs/dbraw/zinc/17/84/64/518178464.db2.gz ZLOLVERYYGGUKE-QWHCGFSZSA-N 0 1 267.376 3.766 20 0 CHADMN Cc1ccn2c(CN[C@@H]3CSc4ccccc43)cnc2c1 ZINC000344432007 534348205 /nfs/dbraw/zinc/34/82/05/534348205.db2.gz DVBUUOAFCZTFRL-OAHLLOKOSA-N 0 1 295.411 3.579 20 0 CHADMN C(=Cc1ccccc1)c1n[nH]c(SCc2ccncc2)n1 ZINC000340931426 518371177 /nfs/dbraw/zinc/37/11/77/518371177.db2.gz CTHVDYGCMXDBRC-VOTSOKGWSA-N 0 1 294.383 3.662 20 0 CHADMN C/C(=C/c1nc([C@H](N)CC(C)C)no1)c1ccccc1 ZINC000339388096 518416888 /nfs/dbraw/zinc/41/68/88/518416888.db2.gz SURWSYVFFPRXLL-GAJOTYCWSA-N 0 1 271.364 3.676 20 0 CHADMN CC=C(C)C(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC000081621086 518479055 /nfs/dbraw/zinc/47/90/55/518479055.db2.gz BGPOIXUAXBDAAV-LGVHXXEASA-N 0 1 285.391 3.733 20 0 CHADMN COC(=O)c1occc1CN1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000353220020 534384579 /nfs/dbraw/zinc/38/45/79/534384579.db2.gz OTQKIWREPQISBC-BBRMVZONSA-N 0 1 299.370 3.649 20 0 CHADMN CC(C)(C)c1cnc(CN2CC[C@H](c3ccccc3)C2)o1 ZINC000299302898 519068309 /nfs/dbraw/zinc/06/83/09/519068309.db2.gz BWQVLSRTPHRSIE-HNNXBMFYSA-N 0 1 284.403 3.962 20 0 CHADMN Cc1ccnc(NCC2(c3ccc(F)cc3)CC2)c1 ZINC000301648126 534402237 /nfs/dbraw/zinc/40/22/37/534402237.db2.gz QLIRIYVOPGDACW-UHFFFAOYSA-N 0 1 256.324 3.673 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C(C)(C)c2cccc(F)c2)n1 ZINC000339389028 519230171 /nfs/dbraw/zinc/23/01/71/519230171.db2.gz CUOKAPJOUGONGZ-CYBMUJFWSA-N 0 1 291.370 3.581 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C(C)(C)Cc2ccccc2)n1 ZINC000339389176 519230578 /nfs/dbraw/zinc/23/05/78/519230578.db2.gz AGOHERXNBHVLCE-CQSZACIVSA-N 0 1 287.407 3.636 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C2(CC(C)C)CCC2)n1 ZINC000339398010 519230774 /nfs/dbraw/zinc/23/07/74/519230774.db2.gz UENWNAUEGQOCEZ-GFCCVEGCSA-N 0 1 265.401 3.583 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H](C)c2ccc(F)c(F)c2)n1 ZINC000339397884 519238603 /nfs/dbraw/zinc/23/86/03/519238603.db2.gz UCOGZMYTSNSKMJ-NOZJJQNGSA-N 0 1 295.333 3.546 20 0 CHADMN C=Cn1cc(CN[C@H](C)c2ccc(SC)cc2)cn1 ZINC000235075983 519327541 /nfs/dbraw/zinc/32/75/41/519327541.db2.gz ASEAABJROLRISB-GFCCVEGCSA-N 0 1 273.405 3.556 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2ccc(Cl)cc2F)n1 ZINC000339388882 519372574 /nfs/dbraw/zinc/37/25/74/519372574.db2.gz KOPGRNOKUYQNTB-NSHDSACASA-N 0 1 283.734 3.575 20 0 CHADMN CC(C)C[C@H](N)c1noc(CCc2cc3ccccc3o2)n1 ZINC000339397264 519376787 /nfs/dbraw/zinc/37/67/87/519376787.db2.gz RMELSYWVIHZTPE-AWEZNQCLSA-N 0 1 299.374 3.647 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H](C)Cc2cccc(F)c2)n1 ZINC000339392900 519378606 /nfs/dbraw/zinc/37/86/06/519378606.db2.gz GGDZXHNYNNWPSX-FZMZJTMJSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H]2C[C@@H]2C2CCCCC2)n1 ZINC000339388778 519379572 /nfs/dbraw/zinc/37/95/72/519379572.db2.gz ALWQMBXEVCDBSB-RDBSUJKOSA-N 0 1 277.412 3.799 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H]2C[C@@H]2c2ccc(F)cc2)n1 ZINC000339391152 519380362 /nfs/dbraw/zinc/38/03/62/519380362.db2.gz XFCNIIJLNUIRQF-RDBSUJKOSA-N 0 1 289.354 3.526 20 0 CHADMN CC(C)C[C@H](N[C@H]1CCC[C@@H]1F)c1ccccn1 ZINC000340524769 519400733 /nfs/dbraw/zinc/40/07/33/519400733.db2.gz SOOVXDHNTVFLKH-YDHLFZDLSA-N 0 1 250.361 3.649 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1CCCC1 ZINC000263581357 519653729 /nfs/dbraw/zinc/65/37/29/519653729.db2.gz XAWROMRKKNZRFZ-UHFFFAOYSA-N 0 1 261.365 3.538 20 0 CHADMN CC(C)CC[C@H]1CCCCN1C(=O)c1ccc2cncn2c1 ZINC000339906922 519693622 /nfs/dbraw/zinc/69/36/22/519693622.db2.gz BQANXVMVTMOKSQ-MRXNPFEDSA-N 0 1 299.418 3.765 20 0 CHADMN Fc1cc(CN[C@@H]2COCc3ccccc32)ccc1Cl ZINC000418093326 534440841 /nfs/dbraw/zinc/44/08/41/534440841.db2.gz BMDGOSFBLLYFNY-MRXNPFEDSA-N 0 1 291.753 3.840 20 0 CHADMN CC(=O)Nc1cccc(CN(Cc2ccco2)C(C)C)c1 ZINC000263744320 519738649 /nfs/dbraw/zinc/73/86/49/519738649.db2.gz RRVYMJVSBVUTEU-UHFFFAOYSA-N 0 1 286.375 3.649 20 0 CHADMN CC(C)Sc1cccc(Cl)c1CN[C@H]1CCOC1 ZINC000354482868 519788230 /nfs/dbraw/zinc/78/82/30/519788230.db2.gz VBULUXNRVGQKJS-NSHDSACASA-N 0 1 285.840 3.719 20 0 CHADMN CC(C)c1ccc(-c2nc(C3(N)CCCC3)no2)cc1 ZINC000041152879 519833878 /nfs/dbraw/zinc/83/38/78/519833878.db2.gz WKPCAVMZKKUINN-UHFFFAOYSA-N 0 1 271.364 3.588 20 0 CHADMN CC(C)c1ccc(NC(=O)[C@](C)(N)c2ccccc2)cc1 ZINC000052881095 519837734 /nfs/dbraw/zinc/83/77/34/519837734.db2.gz QNMKFLLFQUGVIR-GOSISDBHSA-N 0 1 282.387 3.623 20 0 CHADMN CC(C)c1nc(CN2CCCCC[C@H]2c2ccco2)n[nH]1 ZINC000292333711 519862736 /nfs/dbraw/zinc/86/27/36/519862736.db2.gz CGQJYENUUSLKEC-ZDUSSCGKSA-N 0 1 288.395 3.638 20 0 CHADMN CC(C)c1nnc(CN[C@@H](c2ccccc2)C2CCCC2)[nH]1 ZINC000293323805 519863868 /nfs/dbraw/zinc/86/38/68/519863868.db2.gz WHYHPJDMWZDTDU-KRWDZBQOSA-N 0 1 298.434 3.949 20 0 CHADMN CC(C)c1noc(CN[C@@H]2CCC[C@H]2c2ccccc2)n1 ZINC000275557232 519905195 /nfs/dbraw/zinc/90/51/95/519905195.db2.gz DCKAWEPLGAJSDY-LSDHHAIUSA-N 0 1 285.391 3.619 20 0 CHADMN CC(C)n1cc(CN[C@H](c2ccccc2)C2CCCC2)nn1 ZINC000289729248 519958681 /nfs/dbraw/zinc/95/86/81/519958681.db2.gz MLVFNIMBZFSOLK-GOSISDBHSA-N 0 1 298.434 3.880 20 0 CHADMN CC(C)n1nccc1CN(Cc1ccc(O)cc1)CC1CC1 ZINC000289496856 520098419 /nfs/dbraw/zinc/09/84/19/520098419.db2.gz SJARCWXESJTROO-UHFFFAOYSA-N 0 1 299.418 3.582 20 0 CHADMN CC(C)n1nccc1CN1CCC[C@H]1c1ccsc1 ZINC000279624552 520104674 /nfs/dbraw/zinc/10/46/74/520104674.db2.gz KHVCNMJEDUVRNO-HNNXBMFYSA-N 0 1 275.421 3.863 20 0 CHADMN CCCNc1ccc(CNCc2cccc3c2OCO3)cc1 ZINC000193150691 520159960 /nfs/dbraw/zinc/15/99/60/520159960.db2.gz RCSPGRHDWNWFRU-UHFFFAOYSA-N 0 1 298.386 3.527 20 0 CHADMN CCN(C)c1ccc(CNCc2coc3ccccc23)cn1 ZINC000339415044 520282179 /nfs/dbraw/zinc/28/21/79/520282179.db2.gz OOTJFDJUURSCHU-UHFFFAOYSA-N 0 1 295.386 3.574 20 0 CHADMN CCCOc1ccc([C@H](C)NCc2cnn(CC)c2)cc1 ZINC000264822645 520428405 /nfs/dbraw/zinc/42/84/05/520428405.db2.gz GLIZETQFFVHLFO-AWEZNQCLSA-N 0 1 287.407 3.543 20 0 CHADMN CCCOc1ccc([C@H](C)N[C@@H](C)c2nccnc2C)cc1 ZINC000275945806 520428852 /nfs/dbraw/zinc/42/88/52/520428852.db2.gz ZWUZUSYSCNSOTF-ZFWWWQNUSA-N 0 1 299.418 3.986 20 0 CHADMN CC1(C)C[C@@H]1N[C@H](c1ccccc1)c1ccccn1 ZINC000045115467 520542331 /nfs/dbraw/zinc/54/23/31/520542331.db2.gz PBCNEZNBEYYBEB-JKSUJKDBSA-N 0 1 252.361 3.559 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@@H]1CCCc3c[nH]nc31)CCC2 ZINC000344290312 534504058 /nfs/dbraw/zinc/50/40/58/534504058.db2.gz BTOQBLUYCCFWRN-HZPDHXFCSA-N 0 1 285.366 3.593 20 0 CHADMN CCOc1cc(C)ccc1CN[C@@H](C)c1ccncc1 ZINC000151719237 520681499 /nfs/dbraw/zinc/68/14/99/520681499.db2.gz OUQXEMVROGNURB-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN Fc1ccc2oc(CNCc3ccc4cc[nH]c4n3)cc2c1 ZINC000353216415 534511023 /nfs/dbraw/zinc/51/10/23/534511023.db2.gz XHMASWIUVUVGLJ-UHFFFAOYSA-N 0 1 295.317 3.738 20 0 CHADMN CCC[C@@H]1CCCN(Cc2csc(CC)n2)C1 ZINC000354116110 520824194 /nfs/dbraw/zinc/82/41/94/520824194.db2.gz JQQZVIMJSFRSBZ-GFCCVEGCSA-N 0 1 252.427 3.718 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000076145607 520953487 /nfs/dbraw/zinc/95/34/87/520953487.db2.gz WYLZONAJKRKLNE-INIZCTEOSA-N 0 1 289.379 3.732 20 0 CHADMN Cc1nc(SCCC[C@@H](C)O)[nH]c1-c1ccccc1 ZINC000355945511 534532337 /nfs/dbraw/zinc/53/23/37/534532337.db2.gz HDVDFATZORIISI-LLVKDONJSA-N 0 1 276.405 3.638 20 0 CHADMN CCC[C@H](C)N(C)Cc1csc(-c2ccccn2)n1 ZINC000264948338 521036530 /nfs/dbraw/zinc/03/65/30/521036530.db2.gz TUKSSGCYNAVOSD-LBPRGKRZSA-N 0 1 275.421 3.826 20 0 CHADMN CCC(=CC(=O)Nc1cc2cn[nH]c2cc1C)CC ZINC000276807924 521065292 /nfs/dbraw/zinc/06/52/92/521065292.db2.gz TVORJNJQFWAEAQ-UHFFFAOYSA-N 0 1 257.337 3.556 20 0 CHADMN CCN(CCc1cccs1)Cc1csc(C)n1 ZINC000265603307 521170598 /nfs/dbraw/zinc/17/05/98/521170598.db2.gz JWGCUOJMTXJADE-UHFFFAOYSA-N 0 1 266.435 3.578 20 0 CHADMN CCCC[C@H](NCc1n[nH]cc1C)c1ccc(OC)cc1 ZINC000289719063 521241533 /nfs/dbraw/zinc/24/15/33/521241533.db2.gz CUPGPHUONSWYOS-INIZCTEOSA-N 0 1 287.407 3.748 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000338570526 521260518 /nfs/dbraw/zinc/26/05/18/521260518.db2.gz DGZYONGHRFBPIK-LRDDRELGSA-N 0 1 299.418 3.912 20 0 CHADMN CCN(Cc1cccs1)Cc1ccc(OC)cc1OC ZINC000119988716 521408664 /nfs/dbraw/zinc/40/86/64/521408664.db2.gz MUVJTNRFZCMEFL-UHFFFAOYSA-N 0 1 291.416 3.787 20 0 CHADMN CCCc1ccc([C@@H](NCc2ncc[nH]2)C(C)C)cc1 ZINC000067667487 521416502 /nfs/dbraw/zinc/41/65/02/521416502.db2.gz OHAFDORLBQVZSV-KRWDZBQOSA-N 0 1 271.408 3.849 20 0 CHADMN CCN(Cc1ccncc1)[C@H](C)c1ccc(F)c(F)c1 ZINC000266010973 521425914 /nfs/dbraw/zinc/42/59/14/521425914.db2.gz LXYPRFLMBNMUSN-GFCCVEGCSA-N 0 1 276.330 3.943 20 0 CHADMN CCCc1cccc(CNCc2c(C)onc2CC)c1 ZINC000293085658 521431338 /nfs/dbraw/zinc/43/13/38/521431338.db2.gz WPPQOMYESASJFS-UHFFFAOYSA-N 0 1 272.392 3.788 20 0 CHADMN Cc1occc1CN(C)Cc1ccc2ncccc2c1 ZINC000352672350 534566625 /nfs/dbraw/zinc/56/66/25/534566625.db2.gz LNXACFHKDNRFPJ-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN CCCc1nc(C)c(CNCc2sccc2C)o1 ZINC000291666311 521497359 /nfs/dbraw/zinc/49/73/59/521497359.db2.gz FUTYXRZBYSXJBN-UHFFFAOYSA-N 0 1 264.394 3.595 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1scnc1C ZINC000071212391 521583849 /nfs/dbraw/zinc/58/38/49/521583849.db2.gz BQEFCXLKHSBSTE-NSHDSACASA-N 0 1 276.405 3.701 20 0 CHADMN CCOc1ncccc1CN[C@@H](C)c1ccc(C)cc1 ZINC000151217436 521620333 /nfs/dbraw/zinc/62/03/33/521620333.db2.gz RFJQJEYCYINFFN-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN CCSc1cccc(F)c1NC(=O)c1ncoc1CC ZINC000291783414 521763724 /nfs/dbraw/zinc/76/37/24/521763724.db2.gz VGOQCIFBTRVETG-UHFFFAOYSA-N 0 1 294.351 3.740 20 0 CHADMN COCCSc1ccc([C@@H](C)NCc2ccco2)cc1 ZINC000237088462 521781233 /nfs/dbraw/zinc/78/12/33/521781233.db2.gz KTRUICXIIFDTNO-CYBMUJFWSA-N 0 1 291.416 3.869 20 0 CHADMN COc1c(Cl)cc(Cl)cc1CNC1CC(F)(F)C1 ZINC000277370059 521839062 /nfs/dbraw/zinc/83/90/62/521839062.db2.gz BPSFVOACEOWGMN-UHFFFAOYSA-N 0 1 296.144 3.889 20 0 CHADMN C[NH+](C)Cc1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000293526455 521909644 /nfs/dbraw/zinc/90/96/44/521909644.db2.gz JAJCVZKZLVGUGO-UHFFFAOYSA-N 0 1 290.794 3.719 20 0 CHADMN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCCC1 ZINC000043304374 522044850 /nfs/dbraw/zinc/04/48/50/522044850.db2.gz XUXQDRYPQXUITI-UONOGXRCSA-N 0 1 274.408 3.623 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2sccc2Cl)n[nH]1 ZINC000278858418 522053469 /nfs/dbraw/zinc/05/34/69/522053469.db2.gz XQVFFUAFFZDKEJ-DTWKUNHWSA-N 0 1 298.843 3.884 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@@H]2CCc3ccc(C)cc32)n[nH]1 ZINC000277213055 522054095 /nfs/dbraw/zinc/05/40/95/522054095.db2.gz KLOKNXGDSIJLAI-WOSRLPQWSA-N 0 1 298.434 3.965 20 0 CHADMN CCc1nc(C)c(CN[C@H](C)c2ccccc2C)o1 ZINC000291892201 522209209 /nfs/dbraw/zinc/20/92/09/522209209.db2.gz KSONFWIUHFLUMJ-GFCCVEGCSA-N 0 1 258.365 3.705 20 0 CHADMN CCc1nc(C)c(CN[C@H]2c3cc(C)ccc3C[C@H]2C)o1 ZINC000291919702 522210346 /nfs/dbraw/zinc/21/03/46/522210346.db2.gz NRDNEYHFPOEKCC-KZULUSFZSA-N 0 1 284.403 3.877 20 0 CHADMN CCc1nc(C)c(CN[C@H]2c3ccccc3C[C@H]2C)o1 ZINC000291935262 522211893 /nfs/dbraw/zinc/21/18/93/522211893.db2.gz PFJOHGBGVUJQNA-PIGZYNQJSA-N 0 1 270.376 3.569 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2cc(C)cc(C)c2)n[nH]1 ZINC000277427549 522437851 /nfs/dbraw/zinc/43/78/51/522437851.db2.gz NDZPKYJTAOKMBD-KGLIPLIRSA-N 0 1 286.423 3.786 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2cc(C)ccc2C)n[nH]1 ZINC000277159069 522439945 /nfs/dbraw/zinc/43/99/45/522439945.db2.gz GNTWELWDRXRFQV-TZMCWYRMSA-N 0 1 286.423 3.786 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2sccc2C)n[nH]1 ZINC000277140278 522441327 /nfs/dbraw/zinc/44/13/27/522441327.db2.gz DPKMATZHQHPWOC-KOLCDFICSA-N 0 1 278.425 3.539 20 0 CHADMN COc1cc(CN[C@H](C)c2ccc(Cl)cn2)ccc1C ZINC000274953143 522484160 /nfs/dbraw/zinc/48/41/60/522484160.db2.gz VKLMNVGWUXVGFU-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN Clc1cccc(C2CCN(Cc3cnccn3)CC2)c1 ZINC000334646755 534641330 /nfs/dbraw/zinc/64/13/30/534641330.db2.gz MYPDWTJCHAOBMR-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN CC[C@H](N[C@H](C(=O)N(C)C)c1ccccc1)c1ccccc1 ZINC000265287832 522726447 /nfs/dbraw/zinc/72/64/47/522726447.db2.gz YQXFUPJGOIAZEU-ROUUACIJSA-N 0 1 296.414 3.557 20 0 CHADMN COC[C@H](N[C@H]1CCC[C@@H]1F)c1cccc(Cl)c1 ZINC000340524249 522767020 /nfs/dbraw/zinc/76/70/20/522767020.db2.gz DEIGHLKAUWRJPF-IHRRRGAJSA-N 0 1 271.763 3.508 20 0 CHADMN CCc1noc(C)c1CNC/C=C/c1ccc(F)c(F)c1 ZINC000293074058 522843527 /nfs/dbraw/zinc/84/35/27/522843527.db2.gz VQHYLKAIMDGTIE-SNAWJCMRSA-N 0 1 292.329 3.627 20 0 CHADMN CCc1noc(C)c1CNCc1ccc(OC(C)C)cc1 ZINC000339435278 522844844 /nfs/dbraw/zinc/84/48/44/522844844.db2.gz DAUXVFAPJRXIJU-UHFFFAOYSA-N 0 1 288.391 3.622 20 0 CHADMN CC[C@@H](NCc1ccc(C)s1)c1nccs1 ZINC000070717232 522874396 /nfs/dbraw/zinc/87/43/96/522874396.db2.gz QXNZYRNGSQIWFI-LLVKDONJSA-N 0 1 252.408 3.754 20 0 CHADMN CC[C@@H](NCc1cn2ccsc2n1)c1ccccc1 ZINC000211896149 522888907 /nfs/dbraw/zinc/88/89/07/522888907.db2.gz YPPUVAJMYFJPEU-CQSZACIVSA-N 0 1 271.389 3.637 20 0 CHADMN COc1cc([C@@H](C)N[C@H](C)c2ccc(F)c(F)c2)ccn1 ZINC000340523100 522910765 /nfs/dbraw/zinc/91/07/65/522910765.db2.gz DLBXDOUOQHROSY-GHMZBOCLSA-N 0 1 292.329 3.780 20 0 CHADMN CC[C@@H](N[C@H](C)c1nc(Cc2ccccc2)no1)C(C)C ZINC000237047386 522941472 /nfs/dbraw/zinc/94/14/72/522941472.db2.gz GUYBPHCYAOIEDX-UKRRQHHQSA-N 0 1 287.407 3.746 20 0 CHADMN CCc1nocc1CNCc1cc2ccccc2s1 ZINC000339201062 522950233 /nfs/dbraw/zinc/95/02/33/522950233.db2.gz IHYRXGPXGFMFMB-UHFFFAOYSA-N 0 1 272.373 3.742 20 0 CHADMN COCc1ccc(CNCc2ccc(C(C)(F)F)cc2)o1 ZINC000293097462 522988436 /nfs/dbraw/zinc/98/84/36/522988436.db2.gz XOFSMBLBFRNEAA-UHFFFAOYSA-N 0 1 295.329 3.828 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2ccc(SC)cc2)o1 ZINC000282236570 522989977 /nfs/dbraw/zinc/98/99/77/522989977.db2.gz NTTUVHLSAMYKDI-LBPRGKRZSA-N 0 1 291.416 3.999 20 0 CHADMN COCc1ccc(CN[C@@H]2CCCc3ccc(C)cc32)o1 ZINC000291745321 522994373 /nfs/dbraw/zinc/99/43/73/522994373.db2.gz POGIDAIFMFYTJH-GOSISDBHSA-N 0 1 285.387 3.902 20 0 CHADMN COCc1ccc(CN[C@H]2CCc3cc(Cl)ccc32)o1 ZINC000126238823 522996795 /nfs/dbraw/zinc/99/67/95/522996795.db2.gz ZQIGFBZPWYGKGT-INIZCTEOSA-N 0 1 291.778 3.857 20 0 CHADMN COCCC1(CN[C@H](C)c2ncc(C)o2)CCCCC1 ZINC000337212629 523064783 /nfs/dbraw/zinc/06/47/83/523064783.db2.gz BEPNHRHCGOVTGS-CQSZACIVSA-N 0 1 280.412 3.621 20 0 CHADMN CCc1sc(-c2nc([C@@H](N)CC(C)C)no2)cc1C ZINC000339393826 523064936 /nfs/dbraw/zinc/06/49/36/523064936.db2.gz HRLWSHXNHJZKDC-JTQLQIEISA-N 0 1 279.409 3.715 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1cnc2ccc(C)cn12 ZINC000290659918 523121277 /nfs/dbraw/zinc/12/12/77/523121277.db2.gz ZQRAYUNEFKTKGG-KRWDZBQOSA-N 0 1 294.402 3.621 20 0 CHADMN CC[C@@H](c1nc([C@H](N)CC(C)C)no1)c1ccccc1 ZINC000339389751 523127919 /nfs/dbraw/zinc/12/79/19/523127919.db2.gz SYXSLGNJFGNGKW-ZIAGYGMSSA-N 0 1 273.380 3.657 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1CCCCCCC1 ZINC000086725018 523217652 /nfs/dbraw/zinc/21/76/52/523217652.db2.gz MTDNEZJWUXAVMG-UHFFFAOYSA-N 0 1 275.392 3.930 20 0 CHADMN CCn1cc(CNCc2ccccc2C(F)(F)F)c(C)n1 ZINC000054976545 523384674 /nfs/dbraw/zinc/38/46/74/523384674.db2.gz SJSYYFQZTRTMEI-UHFFFAOYSA-N 0 1 297.324 3.520 20 0 CHADMN Cc1cccc(CN2CCSC[C@@H]2c2ccccc2)n1 ZINC000347351417 534710464 /nfs/dbraw/zinc/71/04/64/534710464.db2.gz BHFMIKFFNOXNHJ-QGZVFWFLSA-N 0 1 284.428 3.680 20 0 CHADMN CO[C@@H](CNCc1csc(C)n1)c1ccc(Cl)cc1 ZINC000266176882 523537751 /nfs/dbraw/zinc/53/77/51/523537751.db2.gz UAJCHMXXWSOIHW-AWEZNQCLSA-N 0 1 296.823 3.582 20 0 CHADMN CCn1ccnc1CN[C@H](CC(C)C)c1cccs1 ZINC000265667876 523539055 /nfs/dbraw/zinc/53/90/55/523539055.db2.gz UYSZGDIFKWROTN-CYBMUJFWSA-N 0 1 277.437 3.842 20 0 CHADMN CN(Cc1nnc(-c2ccc(Cl)cc2)o1)CC1CCC1 ZINC000111297272 523609168 /nfs/dbraw/zinc/60/91/68/523609168.db2.gz JQACHBGZKMKHPE-UHFFFAOYSA-N 0 1 291.782 3.622 20 0 CHADMN CC[C@H](C(=O)Nc1ccsc1)N(C)Cc1ccccc1 ZINC000339279370 523803776 /nfs/dbraw/zinc/80/37/76/523803776.db2.gz CNHAUTOAYNCORJ-OAHLLOKOSA-N 0 1 288.416 3.597 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1ccnn1C(C)C ZINC000280077968 523852057 /nfs/dbraw/zinc/85/20/57/523852057.db2.gz YDZQFZQMLMCXPX-CQSZACIVSA-N 0 1 287.407 3.632 20 0 CHADMN CO[C@H](C)[C@H](C)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000191657820 523898533 /nfs/dbraw/zinc/89/85/33/523898533.db2.gz AFJDJZJSCVACGI-YNEHKIRRSA-N 0 1 290.432 3.884 20 0 CHADMN CCc1ccc(CN2CCC[C@H]2c2c(C)n[nH]c2C)o1 ZINC000290498720 523926074 /nfs/dbraw/zinc/92/60/74/523926074.db2.gz PABAGMFZGNVGJB-HNNXBMFYSA-N 0 1 273.380 3.519 20 0 CHADMN CCc1ccc(CN[C@H]2CCc3c2cccc3F)o1 ZINC000131411599 523947961 /nfs/dbraw/zinc/94/79/61/523947961.db2.gz JBNCOAFHJIDJEQ-INIZCTEOSA-N 0 1 259.324 3.758 20 0 CHADMN Cc1ncc(CN[C@H]2C[C@@H](C)c3c2cccc3C)o1 ZINC000335276346 534745995 /nfs/dbraw/zinc/74/59/95/534745995.db2.gz HILJZLUCDPFZDH-ABAIWWIYSA-N 0 1 256.349 3.630 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)o1 ZINC000277188941 524047209 /nfs/dbraw/zinc/04/72/09/524047209.db2.gz IMJTXZDWISKFOC-SRVKXCTJSA-N 0 1 290.411 3.885 20 0 CHADMN COc1ccc(CNCc2ccccc2OC(F)F)cc1 ZINC000019909283 524073510 /nfs/dbraw/zinc/07/35/10/524073510.db2.gz CXKHTWRHPMTBDA-UHFFFAOYSA-N 0 1 293.313 3.586 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(Cl)cn2)cc1 ZINC000274929990 524089606 /nfs/dbraw/zinc/08/96/06/524089606.db2.gz QQXFLEYNRYJFKX-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN COc1cccc([C@@H](C)NCc2ccncc2Cl)c1 ZINC000148265903 524089854 /nfs/dbraw/zinc/08/98/54/524089854.db2.gz XGCUQTOIVJVFOT-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN Cc1cccc([C@H]2CCCN2C(=O)c2cnc(C3CC3)[nH]2)c1 ZINC000334832680 534764053 /nfs/dbraw/zinc/76/40/53/534764053.db2.gz WQJUXUDMNVTAFG-MRXNPFEDSA-N 0 1 295.386 3.573 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1nc2cc(F)ccc2o1 ZINC000151021282 524191810 /nfs/dbraw/zinc/19/18/10/524191810.db2.gz CSWHUTAVEYXAPR-QWRGUYRKSA-N 0 1 262.328 3.730 20 0 CHADMN Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000062133991 524198820 /nfs/dbraw/zinc/19/88/20/524198820.db2.gz HJQFEQPOLTZUGZ-CQSZACIVSA-N 0 1 289.419 3.507 20 0 CHADMN Cc1cccc(C)c1C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000228159689 524258524 /nfs/dbraw/zinc/25/85/24/524258524.db2.gz FGSPNSLWHIYEDR-XIRDDKMYSA-N 0 1 287.403 3.521 20 0 CHADMN C[C@@H]1CCCN1Cc1csc(-c2ccsc2)n1 ZINC000076116340 524260286 /nfs/dbraw/zinc/26/02/86/524260286.db2.gz OKDYHJANKVFJER-SNVBAGLBSA-N 0 1 264.419 3.856 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2ccccn2)cc1C ZINC000034992554 524273489 /nfs/dbraw/zinc/27/34/89/524273489.db2.gz IUIUBBKDVMGZMQ-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)N[C@@H](C)c1cccc(O)c1 ZINC000037089961 524330115 /nfs/dbraw/zinc/33/01/15/524330115.db2.gz PRXBJEPIWFTNMQ-NWDGAFQWSA-N 0 1 289.350 3.952 20 0 CHADMN COc1ccc(F)cc1[C@H](C)N[C@@H](C)c1cccnc1 ZINC000037089907 524332918 /nfs/dbraw/zinc/33/29/18/524332918.db2.gz SECXYQGBASDSCG-RYUDHWBXSA-N 0 1 274.339 3.641 20 0 CHADMN Cc1ccc(CC[C@@H](C)N[C@@H](C)c2cc(C)on2)o1 ZINC000340492327 524347675 /nfs/dbraw/zinc/34/76/75/524347675.db2.gz YWNOYHCNIXUBGC-MFKMUULPSA-N 0 1 262.353 3.556 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2ncccc2C)c1 ZINC000130558618 524462039 /nfs/dbraw/zinc/46/20/39/524462039.db2.gz RDFISFYBDZKABI-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN C[C@H](COCC(F)(F)F)N[C@@H](C)c1cc(F)ccc1F ZINC000264879966 524578575 /nfs/dbraw/zinc/57/85/75/524578575.db2.gz QVENRVJKWFOKGL-BDAKNGLRSA-N 0 1 297.267 3.583 20 0 CHADMN Cc1ccc(CNCc2ccc(OCC(F)(F)F)cc2)o1 ZINC000073450124 524583313 /nfs/dbraw/zinc/58/33/13/524583313.db2.gz XDSRMBPBHPKQLV-UHFFFAOYSA-N 0 1 299.292 3.819 20 0 CHADMN Cc1ccc(CNCc2cccc(OCC(F)(F)F)c2)o1 ZINC000067668564 524584867 /nfs/dbraw/zinc/58/48/67/524584867.db2.gz STZDOHFKEJJZNJ-UHFFFAOYSA-N 0 1 299.292 3.819 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2nc(Cc3ccccc3)no2)[C@@H](C)C1 ZINC000246687412 524617558 /nfs/dbraw/zinc/61/75/58/524617558.db2.gz WEGDPVRIDPHTIR-IJEWVQPXSA-N 0 1 299.418 3.575 20 0 CHADMN Cc1cc(CN(Cc2ccoc2)C2CCCCC2)on1 ZINC000265975932 524670235 /nfs/dbraw/zinc/67/02/35/524670235.db2.gz BWVGEVREXMFQTC-UHFFFAOYSA-N 0 1 274.364 3.911 20 0 CHADMN Cc1cccc(NCCCCOCc2ccccc2)n1 ZINC000157298761 524674270 /nfs/dbraw/zinc/67/42/70/524674270.db2.gz VAXCPTVTGRTRKT-UHFFFAOYSA-N 0 1 270.376 3.799 20 0 CHADMN Cc1cccc(N[C@@H](c2cccs2)c2nnc[nH]2)c1F ZINC000340337162 524695477 /nfs/dbraw/zinc/69/54/77/524695477.db2.gz LWEXEFOMTZFJDF-ZDUSSCGKSA-N 0 1 288.351 3.515 20 0 CHADMN Cc1cc(CNCc2cccc3c2OCCCO3)cs1 ZINC000294113446 524762119 /nfs/dbraw/zinc/76/21/19/524762119.db2.gz DAAQQMYEWRMERG-UHFFFAOYSA-N 0 1 289.400 3.508 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2)C(C)(C)C)ncn1 ZINC000292368986 524768180 /nfs/dbraw/zinc/76/81/80/524768180.db2.gz GKDOROZCTBCALI-INIZCTEOSA-N 0 1 269.392 3.662 20 0 CHADMN Cc1cc(CN[C@H](CC(C)C)c2ccccc2)on1 ZINC000044299636 524781491 /nfs/dbraw/zinc/78/14/91/524781491.db2.gz LRMPDJHKVFYDAC-MRXNPFEDSA-N 0 1 258.365 3.860 20 0 CHADMN C[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2cncs2)C1 ZINC000093531766 524827297 /nfs/dbraw/zinc/82/72/97/524827297.db2.gz BJABJYJPPNBNID-NHYWBVRUSA-N 0 1 276.380 3.865 20 0 CHADMN COc1ccc(OC)c([C@H](C)NCc2ccc(C)s2)c1 ZINC000035012358 524906793 /nfs/dbraw/zinc/90/67/93/524906793.db2.gz CETBSAXFZZPQKR-LBPRGKRZSA-N 0 1 291.416 3.925 20 0 CHADMN C[C@@H]1CN(Cc2ccc3ccccc3n2)CCC1(F)F ZINC000289816428 525000863 /nfs/dbraw/zinc/00/08/63/525000863.db2.gz NVFPGDFRDQYMEH-GFCCVEGCSA-N 0 1 276.330 3.712 20 0 CHADMN C[C@@H]1CSCCN(Cc2sccc2Cl)C1 ZINC000338539314 525166950 /nfs/dbraw/zinc/16/69/50/525166950.db2.gz FHGGIMILKYGMEG-VIFPVBQESA-N 0 1 261.843 3.586 20 0 CHADMN Cc1ccccc1CN[C@H](C)c1nc2ccccc2n1C ZINC000037718910 525168910 /nfs/dbraw/zinc/16/89/10/525168910.db2.gz ANWIJNHYMBVGRT-CQSZACIVSA-N 0 1 279.387 3.733 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H]2CCCc3c[nH]nc32)c2ccccc21 ZINC000290226745 525275188 /nfs/dbraw/zinc/27/51/88/525275188.db2.gz IJUSUANBJITTPU-XFBWCDHKSA-N 0 1 267.376 3.625 20 0 CHADMN C[C@H](NC1CC(F)(F)C1)c1ccc(F)cc1Cl ZINC000277044704 525288834 /nfs/dbraw/zinc/28/88/34/525288834.db2.gz GOKLXEWIGNHZOI-ZETCQYMHSA-N 0 1 263.690 3.927 20 0 CHADMN C[C@]1(NCc2csc(Cl)c2Cl)CCCOC1 ZINC000309500176 525299774 /nfs/dbraw/zinc/29/97/74/525299774.db2.gz USEABIIJCPIYTP-NSHDSACASA-N 0 1 280.220 3.714 20 0 CHADMN COc1ccc([C@H](C)NCc2ccsc2)c(F)c1 ZINC000063152448 525327437 /nfs/dbraw/zinc/32/74/37/525327437.db2.gz RHHISQKRYPWMCB-JTQLQIEISA-N 0 1 265.353 3.747 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCCc3[nH]c(=O)ccc32)o1 ZINC000299366674 525343842 /nfs/dbraw/zinc/34/38/42/525343842.db2.gz XINNFQCRYXXCDU-UGFHNGPFSA-N 0 1 298.386 3.671 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@H](C)c1nccnc1C ZINC000187685220 525362648 /nfs/dbraw/zinc/36/26/48/525362648.db2.gz WVHYJZKQPIQFHA-TZMCWYRMSA-N 0 1 255.365 3.505 20 0 CHADMN C[C@H](NCC[C@@H](O)c1ccccc1)c1c(F)cccc1F ZINC000299728972 525363522 /nfs/dbraw/zinc/36/35/22/525363522.db2.gz WAARYJASEIHQOO-BLLLJJGKSA-N 0 1 291.341 3.739 20 0 CHADMN Cc1n[nH]cc1CN(Cc1ccccc1F)CC(C)C ZINC000350700273 534852872 /nfs/dbraw/zinc/85/28/72/534852872.db2.gz MHODOBKQGYICPQ-UHFFFAOYSA-N 0 1 275.371 3.515 20 0 CHADMN Cc1nc(SCCC(C)(C)O)[nH]c1-c1ccccc1 ZINC000274999187 525413987 /nfs/dbraw/zinc/41/39/87/525413987.db2.gz JXVOWMMESMEWIH-UHFFFAOYSA-N 0 1 276.405 3.638 20 0 CHADMN C[C@H](NCc1cc(Cl)cs1)c1ccccn1 ZINC000086332191 525430489 /nfs/dbraw/zinc/43/04/89/525430489.db2.gz VLKQSTQEVCNIKT-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN C[C@H](NC[C@](C)(O)c1ccccc1)c1c(F)cccc1F ZINC000264899811 525423227 /nfs/dbraw/zinc/42/32/27/525423227.db2.gz VVGCFQYIUCROKL-SJCJKPOMSA-N 0 1 291.341 3.523 20 0 CHADMN C[C@@H](NCCOCc1ccccc1)c1ccc(Cl)cn1 ZINC000274970320 525454085 /nfs/dbraw/zinc/45/40/85/525454085.db2.gz XZKAHSYWFKRWFX-CYBMUJFWSA-N 0 1 290.794 3.602 20 0 CHADMN C[C@H](NCc1ccccc1OC(F)(F)F)c1cccnc1 ZINC000020127517 525462314 /nfs/dbraw/zinc/46/23/14/525462314.db2.gz ZRXFHIMSARPKGL-NSHDSACASA-N 0 1 296.292 3.831 20 0 CHADMN C[C@H](NCc1ccccn1)c1ccc(OC(F)(F)F)cc1 ZINC000019958075 525465158 /nfs/dbraw/zinc/46/51/58/525465158.db2.gz HJTPTDLQLWVDHV-NSHDSACASA-N 0 1 296.292 3.831 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(OC(C)C)nc2)c(C)o1 ZINC000278159236 525465909 /nfs/dbraw/zinc/46/59/09/525465909.db2.gz BDLZXUAHSYTWDH-CYBMUJFWSA-N 0 1 288.391 3.929 20 0 CHADMN Cc1cc([C@H](C)NC[C@@H](C)Oc2cccc(Cl)c2)no1 ZINC000290567732 525517748 /nfs/dbraw/zinc/51/77/48/525517748.db2.gz DZSRGBVEDJZUTD-NEPJUHHUSA-N 0 1 294.782 3.755 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2N[C@@H](C)c1nccnc1C ZINC000275660238 525518692 /nfs/dbraw/zinc/51/86/92/525518692.db2.gz BDCHUNZDGNICMX-GUYCJALGSA-N 0 1 297.402 3.522 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(OC(C)C)nc2)c(C)o1 ZINC000278159239 525520044 /nfs/dbraw/zinc/52/00/44/525520044.db2.gz BDLZXUAHSYTWDH-ZDUSSCGKSA-N 0 1 288.391 3.929 20 0 CHADMN C[C@@H](NCc1ccnc(N2CCCC2)c1)c1ccccc1F ZINC000131351563 525545218 /nfs/dbraw/zinc/54/52/18/525545218.db2.gz YKGJCTFNHYUSIQ-CQSZACIVSA-N 0 1 299.393 3.672 20 0 CHADMN Cc1cccnc1[C@@H](NCc1ccc(F)nc1C)C(C)C ZINC000278594455 525549111 /nfs/dbraw/zinc/54/91/11/525549111.db2.gz ZYYSDHKUOIZYBI-INIZCTEOSA-N 0 1 287.382 3.719 20 0 CHADMN CSCC[C@H](C)N(C)Cc1csc(-c2ccoc2)n1 ZINC000126308700 525564944 /nfs/dbraw/zinc/56/49/44/525564944.db2.gz XGZZDIPYEAAZEF-NSHDSACASA-N 0 1 296.461 3.977 20 0 CHADMN CSCC[C@H](C)N(C)Cc1csc(-c2ccco2)n1 ZINC000126632290 525566198 /nfs/dbraw/zinc/56/61/98/525566198.db2.gz SEQQQPBXCXHORA-NSHDSACASA-N 0 1 296.461 3.977 20 0 CHADMN C[C@H](N[C@@H]1COCc2ccccc21)c1cccs1 ZINC000225981075 525585183 /nfs/dbraw/zinc/58/51/83/525585183.db2.gz DTHSPOCXAYNRBW-SMDDNHRTSA-N 0 1 259.374 3.670 20 0 CHADMN C[C@H](N[C@@H]1CSc2ccccc21)c1cccnc1 ZINC000129737141 525586745 /nfs/dbraw/zinc/58/67/45/525586745.db2.gz RLHIHOYAVOQIQM-SMDDNHRTSA-N 0 1 256.374 3.579 20 0 CHADMN Cc1ccc(S(=O)(=O)Nc2c(C)c(C)ccc2Cl)o1 ZINC000334990822 525590618 /nfs/dbraw/zinc/59/06/18/525590618.db2.gz ZOCLPWHFOZQPJL-UHFFFAOYSA-N 0 1 299.779 3.659 20 0 CHADMN C[C@@H](N[C@@H](C)COCC(F)(F)F)c1cc(F)ccc1F ZINC000264879967 525600070 /nfs/dbraw/zinc/60/00/70/525600070.db2.gz QVENRVJKWFOKGL-DTWKUNHWSA-N 0 1 297.267 3.583 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(Cc2ccco2)C(C)C)c1 ZINC000263781943 525631042 /nfs/dbraw/zinc/63/10/42/525631042.db2.gz GZRGWABRHLLFDB-UHFFFAOYSA-N 0 1 297.358 3.515 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(Cl)cc1 ZINC000271539232 525680844 /nfs/dbraw/zinc/68/08/44/525680844.db2.gz SMIOCSKVMYDXRP-YGRLFVJLSA-N 0 1 275.783 3.791 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)n[nH]2)cc1 ZINC000054584729 525715992 /nfs/dbraw/zinc/71/59/92/525715992.db2.gz XEWYCJAXLZZBEC-UHFFFAOYSA-N 0 1 297.402 3.790 20 0 CHADMN Cc1ccncc1CCCN1CC=C(C(F)(F)F)CC1 ZINC000290159847 525730982 /nfs/dbraw/zinc/73/09/82/525730982.db2.gz XIHYXUYUPJQGHL-UHFFFAOYSA-N 0 1 284.325 3.517 20 0 CHADMN Cc1ccncc1CNC(C)(C)c1ccccc1F ZINC000291773997 525745428 /nfs/dbraw/zinc/74/54/28/525745428.db2.gz TYWMPJMCGZFTEG-UHFFFAOYSA-N 0 1 258.340 3.554 20 0 CHADMN Cc1ccc([C@@H](N[C@H]2CCSC2)c2ccccn2)cc1 ZINC000279681801 525774076 /nfs/dbraw/zinc/77/40/76/525774076.db2.gz OUOOVLIDEZKXBX-DOTOQJQBSA-N 0 1 284.428 3.575 20 0 CHADMN Cc1ccc([C@@H](NC[C@@H]2CCC=CO2)c2ccccn2)cc1 ZINC000279624734 525774407 /nfs/dbraw/zinc/77/44/07/525774407.db2.gz HGCXTPMWYIFAEA-PKOBYXMFSA-N 0 1 294.398 3.762 20 0 CHADMN Cc1ccc([C@@H](N[C@@H](C)c2ncc[nH]2)C2CC2)cc1 ZINC000139044741 525775845 /nfs/dbraw/zinc/77/58/45/525775845.db2.gz BGWIGFDISWPSLK-SWLSCSKDSA-N 0 1 255.365 3.520 20 0 CHADMN Cc1ccc([C@@H](O)CN2CC(C)(C)[C@H]2c2ccncc2)cc1 ZINC000292491256 525778956 /nfs/dbraw/zinc/77/89/56/525778956.db2.gz RRGMKBPJRBWUTH-ZWKOTPCHSA-N 0 1 296.414 3.507 20 0 CHADMN Cc1ccoc1CNCc1ccc(C)cc1-c1cnn(C)c1 ZINC000291687520 525805594 /nfs/dbraw/zinc/80/55/94/525805594.db2.gz IPBOMNHMQJAHSZ-UHFFFAOYSA-N 0 1 295.386 3.587 20 0 CHADMN Cc1ccoc1CN[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000266208232 525806330 /nfs/dbraw/zinc/80/63/30/525806330.db2.gz NGLDFMAYENKUIG-NVXWUHKLSA-N 0 1 271.360 3.598 20 0 CHADMN CSc1cc(C)ccc1CNCc1ccnn1C(C)C ZINC000280374366 525941159 /nfs/dbraw/zinc/94/11/59/525941159.db2.gz SWQRDMFQFBUEQD-UHFFFAOYSA-N 0 1 289.448 3.784 20 0 CHADMN Cc1ccc([C@H]2CCN(Cc3nnc(C(C)C)o3)C2)c(C)c1 ZINC000280497952 526018070 /nfs/dbraw/zinc/01/80/70/526018070.db2.gz QOJPPOYPFTXTHV-HNNXBMFYSA-N 0 1 299.418 3.799 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCCC2(CCOCC2)C1 ZINC000266026336 526028451 /nfs/dbraw/zinc/02/84/51/526028451.db2.gz QGLGPIVDWFQQHF-ZDUSSCGKSA-N 0 1 295.373 3.918 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)CC1CCC(=O)CC1 ZINC000289503919 526029873 /nfs/dbraw/zinc/02/98/73/526029873.db2.gz DTIJDHUEQLCPDI-NSHDSACASA-N 0 1 281.346 3.717 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccsc2)c1OC ZINC000061360710 526036645 /nfs/dbraw/zinc/03/66/45/526036645.db2.gz XSTLKGMPLNALOT-LLVKDONJSA-N 0 1 277.389 3.616 20 0 CHADMN Cc1cn[nH]c1CNc1ccccc1CCC(F)(F)F ZINC000289511439 526036963 /nfs/dbraw/zinc/03/69/63/526036963.db2.gz NCPMTAWMMJZXIU-UHFFFAOYSA-N 0 1 283.297 3.825 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)N(Cc3nnc(C(C)C)o3)C2)cc1 ZINC000278373563 526041334 /nfs/dbraw/zinc/04/13/34/526041334.db2.gz CCUMQZVTXJAQJP-HOCLYGCPSA-N 0 1 299.418 3.879 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC(n2cccn2)CC1 ZINC000365160812 526051574 /nfs/dbraw/zinc/05/15/74/526051574.db2.gz SKKFJSOIFFAZNN-LBPRGKRZSA-N 0 1 291.345 3.559 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226454738 526052331 /nfs/dbraw/zinc/05/23/31/526052331.db2.gz XOOLUAZJQRBKPQ-RYUDHWBXSA-N 0 1 297.345 3.603 20 0 CHADMN C[C@H](c1cccc(Cl)c1)N(C)Cc1cccnc1 ZINC000263722572 526077176 /nfs/dbraw/zinc/07/71/76/526077176.db2.gz FTVDLOOKEPYUAW-GFCCVEGCSA-N 0 1 260.768 3.928 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)CC1=CCCOC1 ZINC000130855929 526100475 /nfs/dbraw/zinc/10/04/75/526100475.db2.gz IBULFJXASALDLY-LBPRGKRZSA-N 0 1 265.784 3.680 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H](C)C(C)C)[nH]c2c1 ZINC000265052255 526103341 /nfs/dbraw/zinc/10/33/41/526103341.db2.gz QBMZKKODXXRZHX-CJNGLKHVSA-N 0 1 299.418 3.827 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3Cc3ccccn3)[nH]c2c1 ZINC000289478220 526106329 /nfs/dbraw/zinc/10/63/29/526106329.db2.gz ZQBHPGDBDQDYDX-KRWDZBQOSA-N 0 1 292.386 3.603 20 0 CHADMN CSc1cccc(NC(=O)c2cc(C)cc3cn[nH]c32)c1 ZINC000338640397 526134420 /nfs/dbraw/zinc/13/44/20/526134420.db2.gz KWRKXYUBRJZHND-UHFFFAOYSA-N 0 1 297.383 3.846 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N1C[C@H]2CCC[C@@H]2C1 ZINC000276567401 526193315 /nfs/dbraw/zinc/19/33/15/526193315.db2.gz MOGDLNCMRUNKME-BPLDGKMQSA-N 0 1 283.375 3.530 20 0 CHADMN Cc1ccc2nc(CNCc3ccc(C)c(C)c3)cn2c1 ZINC000264550109 526249529 /nfs/dbraw/zinc/24/95/29/526249529.db2.gz YUYAKPQGWSKXQC-UHFFFAOYSA-N 0 1 279.387 3.549 20 0 CHADMN C[C@H](CC(C)(C)C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000337263760 526255423 /nfs/dbraw/zinc/25/54/23/526255423.db2.gz ZHCQAKCULFNRCQ-TZMCWYRMSA-N 0 1 296.480 3.539 20 0 CHADMN Cc1cnn([C@@H]2CCN([C@@H](C)c3ccc(Cl)cc3)C2)c1 ZINC000290084776 526266884 /nfs/dbraw/zinc/26/68/84/526266884.db2.gz ZFZQKEYBYZXSBU-XJKSGUPXSA-N 0 1 289.810 3.853 20 0 CHADMN FC1(F)CC(NCc2nc(-c3ccccc3)cs2)C1 ZINC000277414641 526274708 /nfs/dbraw/zinc/27/47/08/526274708.db2.gz GBOLIRMKGOONHF-UHFFFAOYSA-N 0 1 280.343 3.697 20 0 CHADMN Fc1ccc(C2=CC[C@H](NCC(F)F)CC2)cc1 ZINC000291465520 526326607 /nfs/dbraw/zinc/32/66/07/526326607.db2.gz OGOLUBLSTZNSPW-ZDUSSCGKSA-N 0 1 255.283 3.616 20 0 CHADMN Fc1ccc(CN2CCC(c3ccncc3)CC2)c(F)c1 ZINC000191627860 526331742 /nfs/dbraw/zinc/33/17/42/526331742.db2.gz TVAXPTAYLNSCSX-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1csc(CNCc2cc3ccccc3s2)n1 ZINC000339416527 526358251 /nfs/dbraw/zinc/35/82/51/526358251.db2.gz LWEZOMKOOKBGAB-UHFFFAOYSA-N 0 1 274.414 3.956 20 0 CHADMN Cc1csc(CNCc2c(C)cc(C)cc2C)n1 ZINC000037988399 526358882 /nfs/dbraw/zinc/35/88/82/526358882.db2.gz KOIURWHPUPVLMT-UHFFFAOYSA-N 0 1 260.406 3.667 20 0 CHADMN Cc1csc(CN[C@H](C)c2cccc(C)c2C)n1 ZINC000117386500 526359821 /nfs/dbraw/zinc/35/98/21/526359821.db2.gz MUUFLNAXTDFSBL-CYBMUJFWSA-N 0 1 260.406 3.919 20 0 CHADMN Fc1cccc([C@H]2CCCN2Cc2ccccn2)c1 ZINC000104948261 526399235 /nfs/dbraw/zinc/39/92/35/526399235.db2.gz WBUWMQRYPQYHAY-MRXNPFEDSA-N 0 1 256.324 3.558 20 0 CHADMN c1cc(-c2nc(CN3CCC[C@@H]3C3CCC3)no2)cs1 ZINC000102950057 526413768 /nfs/dbraw/zinc/41/37/68/526413768.db2.gz DDAWABZPUQEKSX-CYBMUJFWSA-N 0 1 289.404 3.563 20 0 CHADMN Fc1ccccc1[C@@]1(F)CCN(CC[C@H]2CCCCO2)C1 ZINC000338592512 526416930 /nfs/dbraw/zinc/41/69/30/526416930.db2.gz GSMYJKFLCDVJHH-RHSMWYFYSA-N 0 1 295.373 3.655 20 0 CHADMN c1cc2ccc(CNCc3cc4ccccc4o3)nc2[nH]1 ZINC000353213781 526448017 /nfs/dbraw/zinc/44/80/17/526448017.db2.gz BBFVHMBNLKLTLF-UHFFFAOYSA-N 0 1 277.327 3.599 20 0 CHADMN c1cc2cccc(CNCc3ccc4c(n3)CCCC4)c2[nH]1 ZINC000277651190 526450286 /nfs/dbraw/zinc/45/02/86/526450286.db2.gz FOGDZNBZYKBYCW-UHFFFAOYSA-N 0 1 291.398 3.732 20 0 CHADMN c1ccc(-c2nnc(CN3CCC4(CCCC4)CC3)o2)cc1 ZINC000265678742 526455073 /nfs/dbraw/zinc/45/50/73/526455073.db2.gz ZCLIEFWBKCASQO-UHFFFAOYSA-N 0 1 297.402 3.893 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1cnc2ccccc2c1 ZINC000353122172 526475842 /nfs/dbraw/zinc/47/58/42/526475842.db2.gz FOWMLSKEWRYAMV-UHFFFAOYSA-N 0 1 295.386 3.865 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cccc(F)c1C ZINC000118946632 526483277 /nfs/dbraw/zinc/48/32/77/526483277.db2.gz NZUYXSLEYQFNOW-UHFFFAOYSA-N 0 1 275.327 3.541 20 0 CHADMN Cc1noc(C)c1CNCc1csc2ccccc12 ZINC000061047727 526514594 /nfs/dbraw/zinc/51/45/94/526514594.db2.gz GTWRYTRYWRRUKR-UHFFFAOYSA-N 0 1 272.373 3.796 20 0 CHADMN Cc1[nH]ncc1CNc1ccc(C)c(C(F)(F)F)c1 ZINC000044269888 526556755 /nfs/dbraw/zinc/55/67/55/526556755.db2.gz BVCCNUBADDLGEB-UHFFFAOYSA-N 0 1 269.270 3.657 20 0 CHADMN Cc1nc(-c2ccccc2F)sc1[C@@H](C)NCCF ZINC000280958149 526607715 /nfs/dbraw/zinc/60/77/15/526607715.db2.gz HMLIYYBEINRDBW-SECBINFHSA-N 0 1 282.359 3.878 20 0 CHADMN Brc1ccccc1CN1CCCC2(CC2)C1 ZINC000351915733 526647125 /nfs/dbraw/zinc/64/71/25/526647125.db2.gz RPTGAPRPSBMVGA-UHFFFAOYSA-N 0 1 280.209 3.825 20 0 CHADMN Cc1noc([C@H]2CCCCN2C[C@H](C)Cc2ccccc2)n1 ZINC000289743090 526666277 /nfs/dbraw/zinc/66/62/77/526666277.db2.gz IPFHWLUUOCQOKL-RHSMWYFYSA-N 0 1 299.418 3.784 20 0 CHADMN Cc1nc(C)c(CNC(C)(C)c2ccccc2F)s1 ZINC000291712249 526723417 /nfs/dbraw/zinc/72/34/17/526723417.db2.gz LLEVCFZXJDFREM-UHFFFAOYSA-N 0 1 278.396 3.924 20 0 CHADMN CC(C)(C)[C@H]1CN(C(=O)c2ncccc2O)c2ccccc21 ZINC000331882260 526736342 /nfs/dbraw/zinc/73/63/42/526736342.db2.gz CFGKPQLATXSQDJ-ZDUSSCGKSA-N 0 1 296.370 3.577 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CCC2(CCCCC2)CC1 ZINC000338691926 526784549 /nfs/dbraw/zinc/78/45/49/526784549.db2.gz QAFQYNVUKYFGIJ-UHFFFAOYSA-N 0 1 297.402 3.749 20 0 CHADMN Cc1nc(CN2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)no1 ZINC000274942586 526874902 /nfs/dbraw/zinc/87/49/02/526874902.db2.gz BVPWENXBCOZQAB-ZACQAIPSSA-N 0 1 297.402 3.536 20 0 CHADMN Cc1sccc1CNC(C)(C)c1nc2ccccc2n1C ZINC000339359942 526913197 /nfs/dbraw/zinc/91/31/97/526913197.db2.gz XLKGMLQYTVAKRN-UHFFFAOYSA-N 0 1 299.443 3.968 20 0 CHADMN Cc1sccc1CN[C@@H]1c2ccccc2O[C@H]1C ZINC000293027776 526918781 /nfs/dbraw/zinc/91/87/81/526918781.db2.gz RGYBCQPRLYYSRY-BONVTDFDSA-N 0 1 259.374 3.668 20 0 CHADMN Cc1sccc1CN[C@H]1COc2ccc(Cl)cc21 ZINC000339299111 526921389 /nfs/dbraw/zinc/92/13/89/526921389.db2.gz JXXFREMHNOAHEC-ZDUSSCGKSA-N 0 1 279.792 3.933 20 0 CHADMN Cc1nc(Cc2ccccc2)sc1[C@@H](C)NCCF ZINC000281026458 526928248 /nfs/dbraw/zinc/92/82/48/526928248.db2.gz MQJGKNNCYFXKQN-LLVKDONJSA-N 0 1 278.396 3.662 20 0 CHADMN Clc1ccc(-c2n[nH]cc2CNCc2ccoc2)cc1 ZINC000340426585 526933790 /nfs/dbraw/zinc/93/37/90/526933790.db2.gz GENAICNJPQAOFW-UHFFFAOYSA-N 0 1 287.750 3.613 20 0 CHADMN Clc1ccc(-c2noc([C@@H]3CCCN3C3CC3)n2)cc1 ZINC000279038181 526937639 /nfs/dbraw/zinc/93/76/39/526937639.db2.gz QIRNCTHSSWNIMI-ZDUSSCGKSA-N 0 1 289.766 3.689 20 0 CHADMN Cc1nc(F)ccc1CN(C)[C@H](C)c1ccccc1 ZINC000278530823 526945016 /nfs/dbraw/zinc/94/50/16/526945016.db2.gz ZRGKAIDDTIMXAV-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN Cc1nc(F)ccc1CN[C@H]1CCCOc2ccccc21 ZINC000278554993 526947330 /nfs/dbraw/zinc/94/73/30/526947330.db2.gz VOXZXGANEBOKRZ-HNNXBMFYSA-N 0 1 286.350 3.533 20 0 CHADMN Clc1ccc(N[C@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000340334778 526956621 /nfs/dbraw/zinc/95/66/21/526956621.db2.gz ZTYXSEDJOJMNME-GFCCVEGCSA-N 0 1 290.779 3.721 20 0 CHADMN Clc1ccc2c(c1)[C@H](NCc1cccnc1)CCCO2 ZINC000151077646 526967676 /nfs/dbraw/zinc/96/76/76/526967676.db2.gz PQJYOPCWWCLRLG-OAHLLOKOSA-N 0 1 288.778 3.739 20 0 CHADMN Clc1ccsc1CN1CCC[C@H](OCC2CC2)C1 ZINC000338563398 526994191 /nfs/dbraw/zinc/99/41/91/526994191.db2.gz LISREZCLYYLULF-LBPRGKRZSA-N 0 1 285.840 3.793 20 0 CHADMN Cc1nc([C@@H](C)NCCCOc2ccccc2)cs1 ZINC000052092068 527029838 /nfs/dbraw/zinc/02/98/38/527029838.db2.gz BQIRIHIJLDWPOO-GFCCVEGCSA-N 0 1 276.405 3.571 20 0 CHADMN Cc1nc([C@H](C)NCCCOc2ccccc2)cs1 ZINC000052092069 527062893 /nfs/dbraw/zinc/06/28/93/527062893.db2.gz BQIRIHIJLDWPOO-LBPRGKRZSA-N 0 1 276.405 3.571 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H]3CCCC(F)(F)C3)cc2[nH]1 ZINC000337276520 527145459 /nfs/dbraw/zinc/14/54/59/527145459.db2.gz FHYCMGPTKDNECN-SNVBAGLBSA-N 0 1 293.317 3.635 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)[nH]1 ZINC000338565760 527151477 /nfs/dbraw/zinc/15/14/77/527151477.db2.gz GRAMLUKYXXLJTH-XIKOKIGWSA-N 0 1 297.402 3.524 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@H]2CC(C)C)[nH]1 ZINC000338583408 527151687 /nfs/dbraw/zinc/15/16/87/527151687.db2.gz ZZOJQGFNMNJBDF-ZDUSSCGKSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1nc2cccc(C(=O)NC3CCC(C)(C)CC3)c2[nH]1 ZINC000338573306 527151984 /nfs/dbraw/zinc/15/19/84/527151984.db2.gz HGHCFZIUNKHOGW-UHFFFAOYSA-N 0 1 285.391 3.570 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)[nH]1 ZINC000338565746 527152213 /nfs/dbraw/zinc/15/22/13/527152213.db2.gz GRAMLUKYXXLJTH-KPZWWZAWSA-N 0 1 297.402 3.524 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3ccc(C)cc3F)c2[nH]1 ZINC000338504908 527155620 /nfs/dbraw/zinc/15/56/20/527155620.db2.gz HEXFPQYYUMFAPV-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3cccc4[nH]ccc43)c2[nH]1 ZINC000338541202 527157113 /nfs/dbraw/zinc/15/71/13/527157113.db2.gz VXXDHZXIGBVCCR-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN O=C(Nc1ccc(C2CCC2)cc1)[C@H]1CCCc2[nH]ncc21 ZINC000279269401 527165733 /nfs/dbraw/zinc/16/57/33/527165733.db2.gz YQWDVRBOOUURKH-HNNXBMFYSA-N 0 1 295.386 3.736 20 0 CHADMN Cn1cc(CNCc2ccc(Cl)cc2)c(C(C)(C)C)n1 ZINC000093946093 527217850 /nfs/dbraw/zinc/21/78/50/527217850.db2.gz UZSFEOLARUSWJT-UHFFFAOYSA-N 0 1 291.826 3.661 20 0 CHADMN Cc1ncc(CN(C)[C@@H](C)c2ccc(C)cc2)s1 ZINC000098133094 527251008 /nfs/dbraw/zinc/25/10/08/527251008.db2.gz UQMBEEQZBKRCCT-LBPRGKRZSA-N 0 1 260.406 3.953 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccco1 ZINC000299541222 527263775 /nfs/dbraw/zinc/26/37/75/527263775.db2.gz QNCAHUZEVICUOL-UHFFFAOYSA-N 0 1 281.315 3.676 20 0 CHADMN Cc1ncc(CNCc2ccccc2OC(C)C)s1 ZINC000040445456 527273936 /nfs/dbraw/zinc/27/39/36/527273936.db2.gz HZNSHRGOWNXMLR-UHFFFAOYSA-N 0 1 276.405 3.529 20 0 CHADMN Cc1ncc(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)cn1 ZINC000340415788 527275394 /nfs/dbraw/zinc/27/53/94/527275394.db2.gz RLSSXMVTDRNVLN-INIZCTEOSA-N 0 1 287.382 3.801 20 0 CHADMN Cc1ncc(CN[C@H]2CCSc3c(F)cccc32)s1 ZINC000040437481 527278407 /nfs/dbraw/zinc/27/84/07/527278407.db2.gz QMLUCTBIGAZKNC-ZDUSSCGKSA-N 0 1 294.420 3.917 20 0 CHADMN Cc1ncc(CN[C@H]2CCCc3c(F)cc(F)cc32)s1 ZINC000296091456 527279556 /nfs/dbraw/zinc/27/95/56/527279556.db2.gz RGEPVFSIIMBQFK-HNNXBMFYSA-N 0 1 294.370 3.897 20 0 CHADMN Cn1ccnc1[C@@H](N[C@H]1CCCc2sccc21)C1CC1 ZINC000129191928 527454036 /nfs/dbraw/zinc/45/40/36/527454036.db2.gz OMJFIALNRTYUER-ZFWWWQNUSA-N 0 1 287.432 3.600 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000187683029 527455020 /nfs/dbraw/zinc/45/50/20/527455020.db2.gz IZSXRFOFIYFPBD-CMPLNLGQSA-N 0 1 275.783 3.850 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000187683048 527458888 /nfs/dbraw/zinc/45/88/88/527458888.db2.gz IZSXRFOFIYFPBD-JQWIXIFHSA-N 0 1 275.783 3.850 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H]1CCSc2ccccc21 ZINC000187769568 527458966 /nfs/dbraw/zinc/45/89/66/527458966.db2.gz NMKVMMAUPFWNDY-GXTWGEPZSA-N 0 1 285.416 3.673 20 0 CHADMN C(c1nnc(C2CC2)[nH]1)N1CCC[C@H]1CC1CCCCC1 ZINC000355030718 527495138 /nfs/dbraw/zinc/49/51/38/527495138.db2.gz LPZLNZLWHSDKMI-HNNXBMFYSA-N 0 1 288.439 3.617 20 0 CHADMN Cc1ncsc1CN(C)Cc1ccc(OC(F)F)cc1 ZINC000066563024 527498952 /nfs/dbraw/zinc/49/89/52/527498952.db2.gz RWMHSBQZUBTDGA-UHFFFAOYSA-N 0 1 298.358 3.685 20 0 CHADMN Cc1ncsc1CN[C@@H]1CCSc2c(F)cccc21 ZINC000071212901 527512509 /nfs/dbraw/zinc/51/25/09/527512509.db2.gz IVXKDPGZLMHPFC-GFCCVEGCSA-N 0 1 294.420 3.917 20 0 CHADMN Cc1nn(C)c(C)c1CN(C)Cc1ccc2ccccc2c1 ZINC000299542187 527628116 /nfs/dbraw/zinc/62/81/16/527628116.db2.gz HJJZQURXVSHIAB-UHFFFAOYSA-N 0 1 293.414 3.822 20 0 CHADMN CC(C)(C)CN(Cc1n[nH]c(C2CC2)n1)Cc1ccccc1 ZINC000347404511 527684084 /nfs/dbraw/zinc/68/40/84/527684084.db2.gz XPJBWZZAVYSANP-UHFFFAOYSA-N 0 1 298.434 3.730 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(-c2ccccc2)o1 ZINC000237428104 527696781 /nfs/dbraw/zinc/69/67/81/527696781.db2.gz PKOMWRCOHHSPSD-CYBMUJFWSA-N 0 1 295.386 3.839 20 0 CHADMN FC(F)[C@H](CCc1ccccc1)NC[C@H]1CCSC1 ZINC000280079814 527698276 /nfs/dbraw/zinc/69/82/76/527698276.db2.gz MUPLBUXVZMBBOX-KGLIPLIRSA-N 0 1 285.403 3.596 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@H]1CCSc2ccccc21 ZINC000087408577 527700262 /nfs/dbraw/zinc/70/02/62/527700262.db2.gz SLLOBOINYPWSQX-NHYWBVRUSA-N 0 1 287.432 3.616 20 0 CHADMN CC1(C)Cc2occc2[C@H](NCc2cnn3ccccc23)C1 ZINC000353862373 527780272 /nfs/dbraw/zinc/78/02/72/527780272.db2.gz DAGRFDLPUMJWRD-OAHLLOKOSA-N 0 1 295.386 3.731 20 0 CHADMN CC(C)[C@H]1CCN1Cc1cscc1C(F)(F)F ZINC000356126009 527805151 /nfs/dbraw/zinc/80/51/51/527805151.db2.gz MGZSXGHSTFHYNV-LLVKDONJSA-N 0 1 263.328 3.997 20 0 CHADMN CCO[C@@H]1C[C@@H](NCc2csc(C(C)C)n2)C12CCC2 ZINC000344465320 527839632 /nfs/dbraw/zinc/83/96/32/527839632.db2.gz NXEOQGVJPAPXDW-ZIAGYGMSSA-N 0 1 294.464 3.704 20 0 CHADMN CCC1CCC(N(C)Cc2nc(-c3ccoc3)no2)CC1 ZINC000331951947 527842331 /nfs/dbraw/zinc/84/23/31/527842331.db2.gz OZYIOUGCWPGLNE-UHFFFAOYSA-N 0 1 289.379 3.730 20 0 CHADMN CCO[C@@H]1C[C@@H](NCc2nc(C)sc2C)C1(CC)CC ZINC000344296354 527842460 /nfs/dbraw/zinc/84/24/60/527842460.db2.gz LSERIKABMUDSQR-HUUCEWRRSA-N 0 1 296.480 3.833 20 0 CHADMN CCCC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000335885835 527900434 /nfs/dbraw/zinc/90/04/34/527900434.db2.gz PLIZMMKPIQRKOM-CYBMUJFWSA-N 0 1 291.782 3.680 20 0 CHADMN CCCN(Cc1cncc(F)c1)[C@@H]1CCCc2cccnc21 ZINC000347259318 528151409 /nfs/dbraw/zinc/15/14/09/528151409.db2.gz YPFZDMSOISGABA-QGZVFWFLSA-N 0 1 299.393 3.905 20 0 CHADMN CC(C)Oc1cccc(CN[C@@H]2COCc3ccccc32)c1 ZINC000418092425 528225911 /nfs/dbraw/zinc/22/59/11/528225911.db2.gz AFQRBZJHICDFKS-LJQANCHMSA-N 0 1 297.398 3.835 20 0 CHADMN CCCCN(C(=O)c1cccc2n[nH]cc21)[C@@H](C)CC ZINC000347451363 528312854 /nfs/dbraw/zinc/31/28/54/528312854.db2.gz SJIWNZQDBWSEMX-LBPRGKRZSA-N 0 1 273.380 3.604 20 0 CHADMN CCOC(=O)c1coc(CN(C)[C@H](C)c2ccccc2)c1 ZINC000353375405 528323429 /nfs/dbraw/zinc/32/34/29/528323429.db2.gz AOVNIRSQMKHDIT-CYBMUJFWSA-N 0 1 287.359 3.649 20 0 CHADMN CCN(CCC1CC1)CC(=O)c1c(C)[nH]c2ccccc21 ZINC000355057768 528424775 /nfs/dbraw/zinc/42/47/75/528424775.db2.gz LJCXNPFXLNFIFS-UHFFFAOYSA-N 0 1 284.403 3.781 20 0 CHADMN CCN(CCC1CC1)CC(=O)c1cc(C)n(C2CC2)c1C ZINC000355052865 528426013 /nfs/dbraw/zinc/42/60/13/528426013.db2.gz AFZPEDXQBUNYGY-UHFFFAOYSA-N 0 1 288.435 3.745 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@@H](c2nccn2C)C2CC2)cc1 ZINC000353882165 528596243 /nfs/dbraw/zinc/59/62/43/528596243.db2.gz QLUWDMKIFMTTHX-CXAGYDPISA-N 0 1 299.418 3.621 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@H](c2nccn2C)C2CC2)cc1 ZINC000353882166 528598661 /nfs/dbraw/zinc/59/86/61/528598661.db2.gz QLUWDMKIFMTTHX-DYVFJYSZSA-N 0 1 299.418 3.621 20 0 CHADMN CCN(Cc1c(F)cccc1F)C[C@H]1CCO[C@@H](C)C1 ZINC000352729747 528761034 /nfs/dbraw/zinc/76/10/34/528761034.db2.gz WLYDNONGPMWPDL-STQMWFEESA-N 0 1 283.362 3.602 20 0 CHADMN CCN(Cc1ccc(OC)c(OC)c1Cl)C1CCC1 ZINC000353825167 528789411 /nfs/dbraw/zinc/78/94/11/528789411.db2.gz XQPBBDYWIXNGCP-UHFFFAOYSA-N 0 1 283.799 3.732 20 0 CHADMN CCC(CC)[C@@H]1C[C@@H](N[C@H](C)c2cc(C)on2)CCO1 ZINC000353674515 528837768 /nfs/dbraw/zinc/83/77/68/528837768.db2.gz FIWJULQXGGAYMW-INWMFGNUSA-N 0 1 280.412 3.617 20 0 CHADMN CCN(Cc1cscc1Br)CC1CC1 ZINC000347884174 528880621 /nfs/dbraw/zinc/88/06/21/528880621.db2.gz RCUHGDCXTKULOS-UHFFFAOYSA-N 0 1 274.227 3.743 20 0 CHADMN CC1(C)C(C(=O)Nc2cccc(Cl)c2O)C1(C)C ZINC000347770937 528871140 /nfs/dbraw/zinc/87/11/40/528871140.db2.gz XLPPVXVRLDIPSD-UHFFFAOYSA-N 0 1 267.756 3.666 20 0 CHADMN CC1(C)CCN(Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000336528516 529011081 /nfs/dbraw/zinc/01/10/81/529011081.db2.gz XNQPXRGITGACAC-ZDUSSCGKSA-N 0 1 280.437 3.617 20 0 CHADMN CCOC[C@H]1CCN(Cc2cscc2C(F)(F)F)C1 ZINC000356126331 529031073 /nfs/dbraw/zinc/03/10/73/529031073.db2.gz UERUOGGJKFWJOL-JTQLQIEISA-N 0 1 293.354 3.625 20 0 CHADMN CCO[C@@H](C)c1nc(CN(C)[C@@H](C)C(C)C)cs1 ZINC000347052133 529102874 /nfs/dbraw/zinc/10/28/74/529102874.db2.gz OHEPHNFECINCCY-RYUDHWBXSA-N 0 1 270.442 3.717 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1Cc1csc(COC)n1 ZINC000353806005 529228954 /nfs/dbraw/zinc/22/89/54/529228954.db2.gz PDDPZXHMZBETMV-JSGCOSHPSA-N 0 1 282.453 3.690 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1cn(-c2ccccc2)nn1)C1CC1 ZINC000353307964 529238177 /nfs/dbraw/zinc/23/81/77/529238177.db2.gz MUBVGVYXHDCRIB-GJZGRUSLSA-N 0 1 298.434 3.666 20 0 CHADMN CCSc1ccc([C@@H](C)NCc2c(C)cnn2C)cc1 ZINC000352828192 529246902 /nfs/dbraw/zinc/24/69/02/529246902.db2.gz UJLXCUZSDHYRDH-CYBMUJFWSA-N 0 1 289.448 3.691 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@@H](C)c1csc(C)n1 ZINC000354989075 529317101 /nfs/dbraw/zinc/31/71/01/529317101.db2.gz UZJJCWNQLALKCZ-IONNQARKSA-N 0 1 266.332 3.833 20 0 CHADMN CCC[C@H]1CCC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000566363018 601966898 /nfs/dbraw/zinc/96/68/98/601966898.db2.gz YKHGOLLPZNTLGD-NEPJUHHUSA-N 0 1 265.353 3.551 20 0 CHADMN CC[N@@H+](Cc1cc(C(=O)[O-])co1)[C@H](C)c1ccc(F)cc1 ZINC000565780051 599848437 /nfs/dbraw/zinc/84/84/37/599848437.db2.gz NEXAYQCJRMKXTD-LLVKDONJSA-N 0 1 291.322 3.700 20 0 CHADMN CC(C)[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccc(F)cc1 ZINC000736471647 599848852 /nfs/dbraw/zinc/84/88/52/599848852.db2.gz JSUKIYBTLUAEOW-UHFFFAOYSA-N 0 1 291.322 3.528 20 0 CHADMN Cc1cc(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2)c(C)s1 ZINC000738378517 600213089 /nfs/dbraw/zinc/21/30/89/600213089.db2.gz IBZVGALUEOBNBF-OAHLLOKOSA-N 0 1 289.400 3.623 20 0 CHADMN Cc1cc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)c(C)s1 ZINC000738378517 600213090 /nfs/dbraw/zinc/21/30/90/600213090.db2.gz IBZVGALUEOBNBF-OAHLLOKOSA-N 0 1 289.400 3.623 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])c(C)o2)o1 ZINC000566358792 600217784 /nfs/dbraw/zinc/21/77/84/600217784.db2.gz MEKFMGHGCFWKHF-AWEZNQCLSA-N 0 1 289.331 3.525 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@@H]2c2ccco2)cc1 ZINC000740123260 600217823 /nfs/dbraw/zinc/21/78/23/600217823.db2.gz DKXCHSYHMQAHJB-OAHLLOKOSA-N 0 1 285.343 3.705 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)c2ccc(C(=O)[O-])o2)o1 ZINC000565104027 600217930 /nfs/dbraw/zinc/21/79/30/600217930.db2.gz MFEJOIBFNVBHGD-NEPJUHHUSA-N 0 1 289.331 3.777 20 0 CHADMN C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCCC(=O)[O-] ZINC000083662961 600226854 /nfs/dbraw/zinc/22/68/54/600226854.db2.gz OLCRDTGUDNEYGK-SNVBAGLBSA-N 0 1 289.297 3.563 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])c(C)o1 ZINC000736879491 600432334 /nfs/dbraw/zinc/43/23/34/600432334.db2.gz FCACEDWAXOARLF-ABAIWWIYSA-N 0 1 279.380 3.687 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1cc(C)c(C(=O)[O-])o1 ZINC000736880586 600433129 /nfs/dbraw/zinc/43/31/29/600433129.db2.gz SBAWTRXQIYXARR-RISCZKNCSA-N 0 1 279.380 3.687 20 0 CHADMN Cc1oc(C[N@@H+]2CCC[C@@H](C(C)C)CC2)cc1C(=O)[O-] ZINC000079349294 600509443 /nfs/dbraw/zinc/50/94/43/600509443.db2.gz GANPOBGJMMBQCL-CYBMUJFWSA-N 0 1 279.380 3.544 20 0 CHADMN CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000736393006 600540836 /nfs/dbraw/zinc/54/08/36/600540836.db2.gz ZLGNCXCVPMKYEI-INIZCTEOSA-N 0 1 287.359 3.807 20 0 CHADMN CCc1ccc(CC[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000659790553 600627115 /nfs/dbraw/zinc/62/71/15/600627115.db2.gz ACLQJJCDBVULEC-UHFFFAOYSA-N 0 1 295.382 3.506 20 0 CHADMN C[C@H]1C[N@H+]([C@H](C(=O)[O-])c2ccccc2F)Cc2ccccc21 ZINC000828410790 600982151 /nfs/dbraw/zinc/98/21/51/600982151.db2.gz CUIYCHYSVCBIEP-SJCJKPOMSA-N 0 1 299.345 3.571 20 0 CHADMN CC[C@@]1(C)CCC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000578660750 601036077 /nfs/dbraw/zinc/03/60/77/601036077.db2.gz TVRBFJYNFWJPMQ-NHYWBVRUSA-N 0 1 265.353 3.551 20 0 CHADMN C[C@H]1c2ccccc2C[N@H+]1[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000828527805 601117169 /nfs/dbraw/zinc/11/71/69/601117169.db2.gz PCWVAQHQAUEWFP-ZBEGNZNMSA-N 0 1 285.318 3.528 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc2ccccc2o1 ZINC000573808409 601118946 /nfs/dbraw/zinc/11/89/46/601118946.db2.gz KLPXPBGWWZTNFM-AWEZNQCLSA-N 0 1 275.348 3.508 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000828424701 601178971 /nfs/dbraw/zinc/17/89/71/601178971.db2.gz RXVKHLBIWSCLQJ-BFQNTYOBSA-N 0 1 285.343 3.732 20 0 CHADMN Cc1cc(C[N@@H+]2CC(C)(C)[C@H]2c2ccccc2)oc1C(=O)[O-] ZINC000832882957 601183310 /nfs/dbraw/zinc/18/33/10/601183310.db2.gz OFEFTUNXCHMKSC-MRXNPFEDSA-N 0 1 299.370 3.869 20 0 CHADMN Cc1cc(C[N@H+]2CC(C)(C)[C@H]2c2ccccc2)oc1C(=O)[O-] ZINC000832882957 601183312 /nfs/dbraw/zinc/18/33/12/601183312.db2.gz OFEFTUNXCHMKSC-MRXNPFEDSA-N 0 1 299.370 3.869 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000830355503 601411937 /nfs/dbraw/zinc/41/19/37/601411937.db2.gz OFRAFBIJMONSCY-OAHLLOKOSA-N 0 1 299.370 3.660 20 0 CHADMN C[C@H]([NH2+][C@@H](C(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000315454727 601457461 /nfs/dbraw/zinc/45/74/61/601457461.db2.gz OWOJCAVOSBVYBM-YVEFUNNKSA-N 0 1 295.338 3.909 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000568068221 601542151 /nfs/dbraw/zinc/54/21/51/601542151.db2.gz GSEGETNMBLVTDW-UGSOOPFHSA-N 0 1 299.370 3.702 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])sc1C ZINC000155953026 601612396 /nfs/dbraw/zinc/61/23/96/601612396.db2.gz ZGTKJFZGRRPCGB-GFCCVEGCSA-N 0 1 267.394 3.519 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000383573478 601614465 /nfs/dbraw/zinc/61/44/65/601614465.db2.gz FBRGEERWBABUIX-LBPRGKRZSA-N 0 1 287.334 3.717 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)Cc2ccccc21 ZINC000828455981 601614878 /nfs/dbraw/zinc/61/48/78/601614878.db2.gz HOBNBZPMTCKLIU-LBPRGKRZSA-N 0 1 299.345 3.643 20 0 CHADMN Cc1ccc(C[N@@H+](Cc2ccsc2C(=O)[O-])C2CC2)o1 ZINC000652387721 601807428 /nfs/dbraw/zinc/80/74/28/601807428.db2.gz NXPVWDZYMLODJJ-UHFFFAOYSA-N 0 1 291.372 3.512 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000227825895 601918599 /nfs/dbraw/zinc/91/85/99/601918599.db2.gz CRLCYULLFCMFEX-ACJLOTCBSA-N 0 1 283.371 3.697 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])s1)C1CCCCCC1 ZINC000109601640 601937639 /nfs/dbraw/zinc/93/76/39/601937639.db2.gz NIUAMZZKOZSCKM-UHFFFAOYSA-N 0 1 267.394 3.601 20 0 CHADMN C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000109602100 601938207 /nfs/dbraw/zinc/93/82/07/601938207.db2.gz NZKOHUQGVYSVRF-VIFPVBQESA-N 0 1 293.413 3.627 20 0 CHADMN O=C([O-])c1sc2ccccc2c1C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000706835956 602208276 /nfs/dbraw/zinc/20/82/76/602208276.db2.gz JZNKCVKREMVNHP-MFKMUULPSA-N 0 1 287.384 3.584 20 0 CHADMN C/C(=C\c1ccccc1)C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000833386818 604634212 /nfs/dbraw/zinc/63/42/12/604634212.db2.gz TYMPCRLPEMATSD-NTEUORMPSA-N 0 1 293.366 3.804 20 0 CHADMN CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833473272 604642196 /nfs/dbraw/zinc/64/21/96/604642196.db2.gz ZQAQEVVXTSQLAI-MRXNPFEDSA-N 0 1 286.375 3.542 20 0 CHADMN CC(C)(C)C1=CC[N@@H+](Cc2ccc(C(=O)[O-])s2)CC1 ZINC000382538438 604771326 /nfs/dbraw/zinc/77/13/26/604771326.db2.gz RJZRGPAQDHMBES-UHFFFAOYSA-N 0 1 279.405 3.625 20 0 CHADMN C[C@H](c1ccccc1F)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833550419 604847830 /nfs/dbraw/zinc/84/78/30/604847830.db2.gz VNCVTNDEUCGHQZ-GFCCVEGCSA-N 0 1 299.345 3.643 20 0 CHADMN C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000223491295 604936318 /nfs/dbraw/zinc/93/63/18/604936318.db2.gz BNIONYSARMKBGD-UKRRQHHQSA-N 0 1 275.392 3.570 20 0 CHADMN C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135045197 604936419 /nfs/dbraw/zinc/93/64/19/604936419.db2.gz BNIONYSARMKBGD-ZFWWWQNUSA-N 0 1 275.392 3.570 20 0 CHADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000313377687 604951451 /nfs/dbraw/zinc/95/14/51/604951451.db2.gz ZZVVDRFONZGZME-DIEDAUMRSA-N 0 1 287.403 3.523 20 0 CHADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000313377685 604951607 /nfs/dbraw/zinc/95/16/07/604951607.db2.gz ZZVVDRFONZGZME-CXSQMQJXSA-N 0 1 287.403 3.523 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000833545907 605058069 /nfs/dbraw/zinc/05/80/69/605058069.db2.gz BZYBQOKJOSBRDT-RYUDHWBXSA-N 0 1 277.364 3.551 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833550434 605104805 /nfs/dbraw/zinc/10/48/05/605104805.db2.gz WBCGVCUXSUUKAF-SNVBAGLBSA-N 0 1 292.766 3.559 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833550434 605104808 /nfs/dbraw/zinc/10/48/08/605104808.db2.gz WBCGVCUXSUUKAF-SNVBAGLBSA-N 0 1 292.766 3.559 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000572653405 605137956 /nfs/dbraw/zinc/13/79/56/605137956.db2.gz KSMHBXWBBNDWOO-XHBSWPGZSA-N 0 1 277.364 3.551 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000124454109 949253654 /nfs/dbraw/zinc/25/36/54/949253654.db2.gz GYRNSHJLSYWBBE-NSHDSACASA-N 0 1 299.773 3.556 20 0 CHADMN CC(C)CC[N@@H+](Cc1nc(C(=O)[O-])cs1)C1CCCC1 ZINC000378660514 971568790 /nfs/dbraw/zinc/56/87/90/971568790.db2.gz GSOJAJMQWJVYAR-UHFFFAOYSA-N 0 1 296.436 3.632 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000161389913 949384103 /nfs/dbraw/zinc/38/41/03/949384103.db2.gz UMIBUARZPNVJON-HNNXBMFYSA-N 0 1 299.773 3.556 20 0 CHADMN C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226454529 949585960 /nfs/dbraw/zinc/58/59/60/949585960.db2.gz CFIFOPTVROPXNE-RDJZCZTQSA-N 0 1 289.419 3.585 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(C)cc(Cl)c2)C1 ZINC000395185287 951462866 /nfs/dbraw/zinc/46/28/66/951462866.db2.gz XQUDUJHYAYMDRS-MRXNPFEDSA-N 0 1 295.810 3.725 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1c(C)c(C)c(C)c(C)c1C ZINC000583636318 953729113 /nfs/dbraw/zinc/72/91/13/953729113.db2.gz RGHPKZSANXRZEW-UHFFFAOYSA-N 0 1 277.408 3.525 20 0 CHADMN C[C@@H]1CCC[N@@H+](C/C=C\c2ccc(Cl)cc2)[C@@H]1C(=O)[O-] ZINC001589333906 953971659 /nfs/dbraw/zinc/97/16/59/953971659.db2.gz FSHGGOSWDJVXPJ-FWQWQBSGSA-N 0 1 293.794 3.538 20 0 CHADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC000385112259 971981208 /nfs/dbraw/zinc/98/12/08/971981208.db2.gz DEIPGFYCVVESFM-HNNXBMFYSA-N 0 1 279.424 3.700 20 0 CHADMN Cc1cc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)ccc1Cl ZINC000665351057 954543575 /nfs/dbraw/zinc/54/35/75/954543575.db2.gz OIDLYQDCZNMJAZ-UHFFFAOYSA-N 0 1 283.799 3.581 20 0 CHADMN Cc1ccn(-c2ccccc2CN[C@H](C)c2ccco2)n1 ZINC000127653614 1125462866 /nfs/dbraw/zinc/46/28/66/1125462866.db2.gz FAMZWJJMMWVNEG-CQSZACIVSA-N 0 1 281.359 3.625 20 0 CHADMN CC[C@H](C)[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)[O-])n1 ZINC000387262123 972114200 /nfs/dbraw/zinc/11/42/00/972114200.db2.gz RNIKJBNEWFJWTJ-AWEZNQCLSA-N 0 1 298.386 3.581 20 0 CHADMN C[N@@H+](Cc1cc2ccccc2o1)Cc1ccc(C(=O)[O-])cc1 ZINC000388016852 972152227 /nfs/dbraw/zinc/15/22/27/972152227.db2.gz IVPJTWQEZYYIQX-UHFFFAOYSA-N 0 1 295.338 3.763 20 0 CHADMN CC[C@@H](C)[C@H]1CCCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903695657 956881653 /nfs/dbraw/zinc/88/16/53/956881653.db2.gz FOARWNRRSWSIAW-ZIAGYGMSSA-N 0 1 267.413 3.532 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC001589257158 957009743 /nfs/dbraw/zinc/00/97/43/957009743.db2.gz YJSBRRNDDCGVGJ-ARFHVFGLSA-N 0 1 279.424 3.698 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC001589257159 957010337 /nfs/dbraw/zinc/01/03/37/957010337.db2.gz YJSBRRNDDCGVGJ-HRCADAONSA-N 0 1 279.424 3.698 20 0 CHADMN CC(C)C[N@@H+](C)Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000037108831 957262942 /nfs/dbraw/zinc/26/29/42/957262942.db2.gz AGQBMJQWMXNQBA-UHFFFAOYSA-N 0 1 295.379 3.826 20 0 CHADMN CC(C)c1ccc(CNc2cc(C(=O)[O-])cc[nH+]2)cc1 ZINC000045047176 957451133 /nfs/dbraw/zinc/45/11/33/957451133.db2.gz RTUZFKGWVCWQBY-UHFFFAOYSA-N 0 1 270.332 3.515 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000091781173 958153018 /nfs/dbraw/zinc/15/30/18/958153018.db2.gz NYBHNKUXOQBSDH-MRVPVSSYSA-N 0 1 299.779 3.886 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000091781173 958153022 /nfs/dbraw/zinc/15/30/22/958153022.db2.gz NYBHNKUXOQBSDH-MRVPVSSYSA-N 0 1 299.779 3.886 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])s1)C1CCC(C)(C)CC1 ZINC000094860019 958316647 /nfs/dbraw/zinc/31/66/47/958316647.db2.gz WBACCNZYAKYLCN-UHFFFAOYSA-N 0 1 281.421 3.847 20 0 CHADMN CC(C)c1ccc(C[N@@H+](CCCC(=O)[O-])C2CC2)cc1 ZINC000116339514 958459348 /nfs/dbraw/zinc/45/93/48/958459348.db2.gz CEHGTZXQAQXFJO-UHFFFAOYSA-N 0 1 275.392 3.639 20 0 CHADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CC1CCC(C(C)(C)C)CC1 ZINC000130304451 958728770 /nfs/dbraw/zinc/72/87/70/958728770.db2.gz WVSSQMXNPKXDDE-VXGQWTEUSA-N 0 1 281.440 3.634 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCCC(C)(C)CC1 ZINC000155987740 959045021 /nfs/dbraw/zinc/04/50/21/959045021.db2.gz GIDXSFMAWJFJDN-UHFFFAOYSA-N 0 1 281.421 3.767 20 0 CHADMN Fc1ccc([C@H](N[C@H]2C[C@H]2C(F)F)c2cccnc2)cc1 ZINC000348285866 1125470741 /nfs/dbraw/zinc/47/07/41/1125470741.db2.gz XIBCXHVRHQOGCT-ILXRZTDVSA-N 0 1 292.304 3.553 20 0 CHADMN Cc1c(C)c(C)c(C[N@@H+](C)CCCC(=O)[O-])c(C)c1C ZINC001594259460 959681995 /nfs/dbraw/zinc/68/19/95/959681995.db2.gz OFLPWJQLTFDGAB-UHFFFAOYSA-N 0 1 277.408 3.525 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227829390 959970890 /nfs/dbraw/zinc/97/08/90/959970890.db2.gz ZHLOONRCAKBZJS-ABAIWWIYSA-N 0 1 281.783 3.588 20 0 CHADMN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])co1)c1cc2ccccc2o1 ZINC000228162981 959997813 /nfs/dbraw/zinc/99/78/13/959997813.db2.gz JJRSYGOXZUQMHB-SNVBAGLBSA-N 0 1 285.299 3.575 20 0 CHADMN Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C(=O)[O-])o2)c(C)o1 ZINC000235226945 960401704 /nfs/dbraw/zinc/40/17/04/960401704.db2.gz COASHDALMSCAOR-NXEZZACHSA-N 0 1 277.320 3.599 20 0 CHADMN CN(CCc1c(F)cccc1Cl)CCC(F)(F)F ZINC000532662036 1125472943 /nfs/dbraw/zinc/47/29/43/1125472943.db2.gz AMDGNESLBLZXPT-UHFFFAOYSA-N 0 1 283.696 3.906 20 0 CHADMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC001204156409 960602406 /nfs/dbraw/zinc/60/24/06/960602406.db2.gz BOABWQMSGVEARQ-GOSISDBHSA-N 0 1 295.382 3.894 20 0 CHADMN Cc1cc(C)c2c(c1)CC[N@H+](Cc1cccc(C(=O)[O-])c1)C2 ZINC001574322517 960832844 /nfs/dbraw/zinc/83/28/44/960832844.db2.gz PYMXZMNJZNRLMV-UHFFFAOYSA-N 0 1 295.382 3.560 20 0 CHADMN COc1ccsc1[C@H](C)NCc1sc(C)nc1C ZINC000274617019 1117768295 /nfs/dbraw/zinc/76/82/95/1117768295.db2.gz VIVDAPNSWKSSMX-VIFPVBQESA-N 0 1 282.434 3.681 20 0 CHADMN CC(C)C[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001326546867 961107852 /nfs/dbraw/zinc/10/78/52/961107852.db2.gz HOURWFOKJCRCFZ-WFASDCNBSA-N 0 1 295.810 3.834 20 0 CHADMN CCCc1csc(CNCC2(OCC)CCCC2)n1 ZINC000339476839 1117803967 /nfs/dbraw/zinc/80/39/67/1117803967.db2.gz RBYVNOYNBXOKHV-UHFFFAOYSA-N 0 1 282.453 3.535 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000252557349 961274175 /nfs/dbraw/zinc/27/41/75/961274175.db2.gz UBWIIXLBEUZTCR-JHJVBQTASA-N 0 1 277.364 3.551 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC000252596971 961276302 /nfs/dbraw/zinc/27/63/02/961276302.db2.gz ITJHLGLZCJKFKB-DDTOSNHZSA-N 0 1 281.783 3.586 20 0 CHADMN CC[C@@H]1CCC[C@H](C[N@@H+](C)Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC001331923605 961409320 /nfs/dbraw/zinc/40/93/20/961409320.db2.gz BGWVLKJCLWGTIU-KGLIPLIRSA-N 0 1 293.407 3.934 20 0 CHADMN Cc1ccc(CNCc2cc(F)ccc2F)s1 ZINC000048326859 1125481968 /nfs/dbraw/zinc/48/19/68/1125481968.db2.gz SJRKZIFFXUZHIU-UHFFFAOYSA-N 0 1 253.317 3.625 20 0 CHADMN COc1ccccc1[C@H](C)N(C)C[C@H](C)C(F)(F)F ZINC001208906407 1117962252 /nfs/dbraw/zinc/96/22/52/1117962252.db2.gz WCHJEZNGDSGGGE-QWRGUYRKSA-N 0 1 275.314 3.886 20 0 CHADMN Cc1oc(C[N@H+](C)C[C@@H]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC001353899421 962668925 /nfs/dbraw/zinc/66/89/25/962668925.db2.gz MROWHVUTDDZYRR-DGCLKSJQSA-N 0 1 279.380 3.544 20 0 CHADMN Cc1cc(C(=O)Nc2ccc3nc(C)[nH]c3c2)sc1C ZINC000048433304 1125483887 /nfs/dbraw/zinc/48/38/87/1125483887.db2.gz QZKKZUFHFWCIEZ-UHFFFAOYSA-N 0 1 285.372 3.802 20 0 CHADMN Cc1ccc(C[N@H+](C)C2(C(=O)[O-])CCCCC2)cc1Cl ZINC000312889959 963603033 /nfs/dbraw/zinc/60/30/33/963603033.db2.gz HZSNPNLBWNQJMG-UHFFFAOYSA-N 0 1 295.810 3.868 20 0 CHADMN C[C@H](c1ccc(F)cc1)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000315853115 963943809 /nfs/dbraw/zinc/94/38/09/963943809.db2.gz HDWAHGUDDDAKNX-SJKOYZFVSA-N 0 1 299.345 3.571 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000315873601 963944800 /nfs/dbraw/zinc/94/48/00/963944800.db2.gz AOXDTZASGBKNLK-MLGOLLRUSA-N 0 1 299.370 3.733 20 0 CHADMN CS[C@H]1CCCCN(Cc2ncc(C(C)C)s2)C1 ZINC000183128019 1118038134 /nfs/dbraw/zinc/03/81/34/1118038134.db2.gz YZQCMSKBPCOAOB-LBPRGKRZSA-N 0 1 284.494 3.984 20 0 CHADMN CC[C@@H](CSC)N(C)Cn1ccc(-c2ccsc2)n1 ZINC000091024590 1118062815 /nfs/dbraw/zinc/06/28/15/1118062815.db2.gz ZQKZSUBMGQIQRA-ZDUSSCGKSA-N 0 1 295.477 3.643 20 0 CHADMN Cc1cc(Cl)ncc1CN(C)Cc1ccc(F)cc1 ZINC001209627918 1118082202 /nfs/dbraw/zinc/08/22/02/1118082202.db2.gz KXEUZPMCZIJIBP-UHFFFAOYSA-N 0 1 278.758 3.815 20 0 CHADMN CCCc1ccc(C[N@H+]2CCC[C@@](CC)(C(=O)[O-])C2)cc1 ZINC001350908900 969772619 /nfs/dbraw/zinc/77/26/19/969772619.db2.gz GJUAHTKTVJJWQQ-GOSISDBHSA-N 0 1 289.419 3.716 20 0 CHADMN Cc1ccc([C@@H](C)C[N@@H+](CC(=O)[O-])CC(C)(C)C)cc1 ZINC001594349071 970214374 /nfs/dbraw/zinc/21/43/74/970214374.db2.gz CSIWAWODRDKIIW-AWEZNQCLSA-N 0 1 277.408 3.531 20 0 CHADMN C[C@H](C[N@H+]1CCc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC000317329510 970348969 /nfs/dbraw/zinc/34/89/69/970348969.db2.gz DRDLRUQXDNEEHQ-CQSZACIVSA-N 0 1 295.382 3.547 20 0 CHADMN Fc1cccc(C(F)(F)F)c1CN1C[C@H]2CC[C@@H]1C2 ZINC001204465916 1118102555 /nfs/dbraw/zinc/10/25/55/1118102555.db2.gz LOQHELHCHBMGPR-VHSXEESVSA-N 0 1 273.273 3.829 20 0 CHADMN C[N@@H+](CCCC1CCCCC1)C1(C(=O)[O-])CCCC1 ZINC000395091464 972775592 /nfs/dbraw/zinc/77/55/92/972775592.db2.gz BYDHNTSKUOAOJZ-UHFFFAOYSA-N 0 1 267.413 3.676 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC001606094628 973263288 /nfs/dbraw/zinc/26/32/88/973263288.db2.gz DRKFTTAYBMFPCT-XYHHVPKHSA-N 0 1 293.794 3.540 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC001606094629 973263346 /nfs/dbraw/zinc/26/33/46/973263346.db2.gz DRKFTTAYBMFPCT-YOUVMVQBSA-N 0 1 293.794 3.540 20 0 CHADMN Cc1ccccc1SC[C@@H](C)C[N@@H+](C)CCCC(=O)[O-] ZINC001605357141 973275802 /nfs/dbraw/zinc/27/58/02/973275802.db2.gz XAOACTHPJNGCHJ-ZDUSSCGKSA-N 0 1 295.448 3.520 20 0 CHADMN O=C([O-])[C@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccsc1 ZINC000417566296 973962560 /nfs/dbraw/zinc/96/25/60/973962560.db2.gz RAWXFKGJKQEBLV-OAHLLOKOSA-N 0 1 287.384 3.541 20 0 CHADMN C[C@@H](NCc1ccc(Br)s1)c1ccoc1 ZINC000087289927 1118133783 /nfs/dbraw/zinc/13/37/83/1118133783.db2.gz GKMIULGWFYYMGS-MRVPVSSYSA-N 0 1 286.194 3.954 20 0 CHADMN Cc1cc([C@H](C)[N@H+]2CC[C@@H](c3ccccc3)C2)oc1C(=O)[O-] ZINC000515659061 974300573 /nfs/dbraw/zinc/30/05/73/974300573.db2.gz BWBBMNLPTJRVDX-DZGCQCFKSA-N 0 1 299.370 3.837 20 0 CHADMN C[N@@H+](CCC1CCCCC1)[C@H](C(=O)[O-])c1ccccc1F ZINC000520823378 974341229 /nfs/dbraw/zinc/34/12/29/974341229.db2.gz CHYYRHWDFDHKTR-INIZCTEOSA-N 0 1 293.382 3.854 20 0 CHADMN C[C@@H](C[N@H+](Cc1ccccc1)CC1CC(C)(C)C1)C(=O)[O-] ZINC000530164120 974359282 /nfs/dbraw/zinc/35/92/82/974359282.db2.gz TZXYDOQZAYGCPJ-AWEZNQCLSA-N 0 1 289.419 3.646 20 0 CHADMN C[C@@H]1CC(C(=O)[O-])C[C@H](C)[N@@H+]1CC/C=C/c1ccccc1 ZINC000530175882 974363697 /nfs/dbraw/zinc/36/36/97/974363697.db2.gz QNOXLNCHPVACEU-KHQKVZAHSA-N 0 1 287.403 3.664 20 0 CHADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)CC1CCC(F)(F)CC1 ZINC000564803485 974554333 /nfs/dbraw/zinc/55/43/33/974554333.db2.gz QZKRMWWKZKSEET-UHFFFAOYSA-N 0 1 297.345 3.642 20 0 CHADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000565102007 974569142 /nfs/dbraw/zinc/56/91/42/974569142.db2.gz CETULJJYYIHJOI-DOTOQJQBSA-N 0 1 289.419 3.879 20 0 CHADMN CCC[C@@]1(C)CCC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000565105639 974571628 /nfs/dbraw/zinc/57/16/28/974571628.db2.gz ULXSMIHVZRKKPB-WBMJQRKESA-N 0 1 279.380 3.941 20 0 CHADMN C[N@@H+](Cc1csc(C(=O)[O-])c1)C1CCC(C)(C)CC1 ZINC000566360236 974608439 /nfs/dbraw/zinc/60/84/39/974608439.db2.gz VNYDJRCTTVXXFK-UHFFFAOYSA-N 0 1 281.421 3.847 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2C2CCCCC2)o1 ZINC000567509332 974635893 /nfs/dbraw/zinc/63/58/93/974635893.db2.gz AAHDEUADTPKVHM-AWEZNQCLSA-N 0 1 277.364 3.523 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000569981687 974702805 /nfs/dbraw/zinc/70/28/05/974702805.db2.gz NQMCHCQRSIPZJJ-LSDHHAIUSA-N 0 1 281.440 3.922 20 0 CHADMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000570220550 974708072 /nfs/dbraw/zinc/70/80/72/974708072.db2.gz VIVSJKJCSNJBQO-JQWIXIFHSA-N 0 1 281.783 3.801 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CC1(C(=O)[O-])CC1 ZINC000571691992 974734395 /nfs/dbraw/zinc/73/43/95/974734395.db2.gz WGTILWGDJMVDIY-RYUDHWBXSA-N 0 1 295.810 3.629 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000572250119 974744415 /nfs/dbraw/zinc/74/44/15/974744415.db2.gz HEJCCKQKSOWMKA-CQSZACIVSA-N 0 1 297.398 3.833 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CCC[C@@H]1CCC(C)C ZINC000572728977 974752590 /nfs/dbraw/zinc/75/25/90/974752590.db2.gz JFPOLPBTYGQYHM-CQSZACIVSA-N 0 1 279.380 3.687 20 0 CHADMN CC(C)[N@@H+](Cc1c(Cl)cccc1C(=O)[O-])C1CCC1 ZINC000573213710 974761900 /nfs/dbraw/zinc/76/19/00/974761900.db2.gz PBUIIXRHQNARSQ-UHFFFAOYSA-N 0 1 281.783 3.801 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000574921692 974791078 /nfs/dbraw/zinc/79/10/78/974791078.db2.gz KFPCYRIKEFEKEZ-RAIGVLPGSA-N 0 1 279.405 3.599 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCCC2(C1)CCCCCC2 ZINC000578199468 974850511 /nfs/dbraw/zinc/85/05/11/974850511.db2.gz IPXFYOVYGWTFFK-OAHLLOKOSA-N 0 1 281.440 3.922 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000579720372 974880989 /nfs/dbraw/zinc/88/09/89/974880989.db2.gz ODQRBIXRMHGUBZ-LBPRGKRZSA-N 0 1 291.372 3.685 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](CCSC2CCCCC2)C1 ZINC000593751282 974987451 /nfs/dbraw/zinc/98/74/51/974987451.db2.gz GYHGYCMZURERIX-AWEZNQCLSA-N 0 1 299.480 3.629 20 0 CHADMN C/C=C/C[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])sc2C)C1 ZINC000629375910 975089738 /nfs/dbraw/zinc/08/97/38/975089738.db2.gz PEIKMSCXYMCVNN-OOPCZODUSA-N 0 1 293.432 3.933 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(F)cc1)C(C)(C)C ZINC000634697535 975275613 /nfs/dbraw/zinc/27/56/13/975275613.db2.gz LNSHFBDDDJIARX-SMDDNHRTSA-N 0 1 281.371 3.565 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000652367016 975515961 /nfs/dbraw/zinc/51/59/61/975515961.db2.gz DELSVUXLYDHNTE-PHIMTYICSA-N 0 1 281.783 3.801 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000652373639 975516331 /nfs/dbraw/zinc/51/63/31/975516331.db2.gz IMEIQEOPCRWXRQ-UHFFFAOYSA-N 0 1 293.750 3.572 20 0 CHADMN O=C([O-])c1sccc1C[N@@H+](CC1CCCCC1)C1CC1 ZINC000652398251 975520090 /nfs/dbraw/zinc/52/00/90/975520090.db2.gz KGPFMVYQYAHWRG-UHFFFAOYSA-N 0 1 293.432 3.991 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccsc2)CC1 ZINC000652415535 975526263 /nfs/dbraw/zinc/52/62/63/975526263.db2.gz YZRLZTDGWFDPLR-GXTWGEPZSA-N 0 1 281.421 3.632 20 0 CHADMN CC(C)(C)CCC[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000652482252 975549174 /nfs/dbraw/zinc/54/91/74/975549174.db2.gz UQDGJOBHFMYEOP-UHFFFAOYSA-N 0 1 255.402 3.532 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cc(C(C)C)ccc1OC ZINC000655925084 975638317 /nfs/dbraw/zinc/63/83/17/975638317.db2.gz WDJPPOLMTLBCCG-ZDUSSCGKSA-N 0 1 293.407 3.504 20 0 CHADMN C[C@@H](C[N@@H+](CCC1CCCCCC1)C1CC1)C(=O)[O-] ZINC000656191144 975644923 /nfs/dbraw/zinc/64/49/23/975644923.db2.gz NAJGITIOKOVSOR-ZDUSSCGKSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1oc(C[N@H+]2CC[C@H](C3CCCCC3)C2)cc1C(=O)[O-] ZINC000656761573 975688467 /nfs/dbraw/zinc/68/84/67/975688467.db2.gz RSWZENDTAMOWPL-AWEZNQCLSA-N 0 1 291.391 3.688 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC23CCC(CC2)C3)[C@@H]2CCCC[C@H]12 ZINC000656764737 975697087 /nfs/dbraw/zinc/69/70/87/975697087.db2.gz HEAWHCDEFCKNNT-DSZOFWSKSA-N 0 1 291.435 3.532 20 0 CHADMN O=C([O-])[C@]12C[N@@H+](CC3CCCCCC3)C[C@H]1CCCC2 ZINC000659799852 975890359 /nfs/dbraw/zinc/89/03/59/975890359.db2.gz OGFLIVDLBGDRON-NVXWUHKLSA-N 0 1 279.424 3.534 20 0 CHADMN CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1nc(C(C)(C)C)cs1 ZINC000120914678 1118145852 /nfs/dbraw/zinc/14/58/52/1118145852.db2.gz PTDOMCAYJXKFPA-OLZOCXBDSA-N 0 1 296.480 3.566 20 0 CHADMN CC[C@H](O)[C@H]1CCCCN1Cc1nc(C(C)(C)C)cs1 ZINC000120914678 1118145855 /nfs/dbraw/zinc/14/58/55/1118145855.db2.gz PTDOMCAYJXKFPA-OLZOCXBDSA-N 0 1 296.480 3.566 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1cscn1 ZINC000172307234 1118232226 /nfs/dbraw/zinc/23/22/26/1118232226.db2.gz SCTWUMIJQJGJOX-GXTWGEPZSA-N 0 1 258.390 3.521 20 0 CHADMN CCc1nc(C)c([C@H](C)N[C@@H]2CCC[C@@H]2F)s1 ZINC000340525042 1118316603 /nfs/dbraw/zinc/31/66/03/1118316603.db2.gz LHZMMEOMQTXAEW-INTQDDNPSA-N 0 1 256.390 3.555 20 0 CHADMN C/C(=C\C[N@H+]1CCC[C@@H]1CCCc1ccccc1)C(=O)[O-] ZINC000846255060 979426827 /nfs/dbraw/zinc/42/68/27/979426827.db2.gz SUSOOJGJGYKRDC-VMEIHUARSA-N 0 1 287.403 3.505 20 0 CHADMN CC[C@H](C[N@@H+](C)C1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC001595129491 979535683 /nfs/dbraw/zinc/53/56/83/979535683.db2.gz LAPGZEZITYFAOO-OAHLLOKOSA-N 0 1 289.419 3.900 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@H+]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000872156785 980038802 /nfs/dbraw/zinc/03/88/02/980038802.db2.gz DHZXSWQOYRRTII-GOSISDBHSA-N 0 1 297.398 3.896 20 0 CHADMN O=C([O-])c1csc(C[N@H+]2CCCC3(CCCCC3)C2)c1 ZINC000872159690 980045359 /nfs/dbraw/zinc/04/53/59/980045359.db2.gz XPCONMXUGZAXKX-UHFFFAOYSA-N 0 1 293.432 3.993 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC000872160497 980046702 /nfs/dbraw/zinc/04/67/02/980046702.db2.gz HKPIWTXPVQQILF-HOCLYGCPSA-N 0 1 297.398 3.752 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CCCC1CC1)CC(=O)[O-] ZINC000872162218 980051216 /nfs/dbraw/zinc/05/12/16/980051216.db2.gz MVUJPLMJWKSKHV-MRXNPFEDSA-N 0 1 275.392 3.715 20 0 CHADMN FC1(F)CC12CN(Cc1csc3ccccc13)C2 ZINC000656265494 1118486680 /nfs/dbraw/zinc/48/66/80/1118486680.db2.gz ADTATCPZCQVAPN-UHFFFAOYSA-N 0 1 265.328 3.742 20 0 CHADMN CC[C@]1(CCc2ccccc2)CCC[N@H+]1CCCC(=O)[O-] ZINC000880372049 980204445 /nfs/dbraw/zinc/20/44/45/980204445.db2.gz FAEYEVIXHURNPK-GOSISDBHSA-N 0 1 289.419 3.729 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](CCc1ccccc1)CCC(C)(C)C ZINC000883414998 980206666 /nfs/dbraw/zinc/20/66/66/980206666.db2.gz LDBFEWWLLCQKDK-MRXNPFEDSA-N 0 1 291.435 3.831 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC000901415828 980262198 /nfs/dbraw/zinc/26/21/98/980262198.db2.gz ABJXHIGHZQCLLC-ZDUSSCGKSA-N 0 1 299.370 3.877 20 0 CHADMN CC(C)C1(C[N@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])CC1 ZINC000901579129 980391162 /nfs/dbraw/zinc/39/11/62/980391162.db2.gz QHNTVVNWGVOCGO-OAHLLOKOSA-N 0 1 289.419 3.646 20 0 CHADMN CC1(C)CCC[C@H](C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000901646498 980423649 /nfs/dbraw/zinc/42/36/49/980423649.db2.gz PFMIGCXYFVMUPN-ZDUSSCGKSA-N 0 1 287.403 3.917 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000901744127 980473601 /nfs/dbraw/zinc/47/36/01/980473601.db2.gz BMTPZKWESBYAGE-KSSFIOAISA-N 0 1 299.414 3.735 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000901777613 980508547 /nfs/dbraw/zinc/50/85/47/980508547.db2.gz IQHFHVWNPJNUFR-UKRRQHHQSA-N 0 1 287.403 3.569 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](C)CC1CCC2(CCCCC2)CC1 ZINC000901980984 980659533 /nfs/dbraw/zinc/65/95/33/980659533.db2.gz UNTMUAFVLQYZJF-CYBMUJFWSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1cc(C)c(/C=C\C[N@H+](CCC(=O)[O-])C(C)C)cc1C ZINC000901980532 980659589 /nfs/dbraw/zinc/65/95/89/980659589.db2.gz NJZVARGVFSRXNO-SREVYHEPSA-N 0 1 289.419 3.810 20 0 CHADMN CC[C@H](C)[N@@H+](C/C=C\c1cc(C)c(C)cc1C)CC(=O)[O-] ZINC000901989060 980668705 /nfs/dbraw/zinc/66/87/05/980668705.db2.gz PLBMHKSDGVKMIS-PTZVLDCSSA-N 0 1 289.419 3.810 20 0 CHADMN C/C(=C/c1ccccc1)C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000902020332 980696690 /nfs/dbraw/zinc/69/66/90/980696690.db2.gz ZGPWFLAEZZRIHZ-QBOMHBFWSA-N 0 1 275.392 3.521 20 0 CHADMN C[N@@H+](CCC(C)(C)C(=O)[O-])Cc1ccc2ccccc2c1 ZINC000902073816 980721208 /nfs/dbraw/zinc/72/12/08/980721208.db2.gz FOFGFSALOYZFOI-UHFFFAOYSA-N 0 1 285.387 3.773 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1ccc(C)o1 ZINC001595362655 980773405 /nfs/dbraw/zinc/77/34/05/980773405.db2.gz MDFDLWDPLAJYRK-MRXNPFEDSA-N 0 1 287.359 3.626 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1ccc(C)o1 ZINC001595362655 980773409 /nfs/dbraw/zinc/77/34/09/980773409.db2.gz MDFDLWDPLAJYRK-MRXNPFEDSA-N 0 1 287.359 3.626 20 0 CHADMN Fc1cc(F)c(F)c(CNC2CC3(CCC3)C2)c1F ZINC000656504729 1118570344 /nfs/dbraw/zinc/57/03/44/1118570344.db2.gz YPMMWRUBTQKPEM-UHFFFAOYSA-N 0 1 273.273 3.665 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](Cc2cc(C(=O)[O-])c(CC)o2)C1 ZINC000902282103 980815370 /nfs/dbraw/zinc/81/53/70/980815370.db2.gz OSTPQMRNTMOJMD-KRWDZBQOSA-N 0 1 293.407 3.942 20 0 CHADMN Cc1ccc(C[N@H+](CCC(C)(C)C(=O)[O-])C(C)C)s1 ZINC000902515378 980916254 /nfs/dbraw/zinc/91/62/54/980916254.db2.gz VNPKDDYLICRMLZ-UHFFFAOYSA-N 0 1 283.437 3.768 20 0 CHADMN C[N@@H+](Cc1ccc(/C=C/C(=O)[O-])o1)C1CCCCCCC1 ZINC000902519521 980918330 /nfs/dbraw/zinc/91/83/30/980918330.db2.gz PIJVYURXGBQYRB-VAWYXSNFSA-N 0 1 291.391 3.922 20 0 CHADMN C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000902529593 980922567 /nfs/dbraw/zinc/92/25/67/980922567.db2.gz KMLGIOHTJZILCW-IUODEOHRSA-N 0 1 293.382 3.710 20 0 CHADMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000902545211 980927775 /nfs/dbraw/zinc/92/77/75/980927775.db2.gz GNYUJNQNIXEJKV-YGRLFVJLSA-N 0 1 281.783 3.659 20 0 CHADMN CCc1oc(C[N@@H+](C)[C@H]2CCC(C)(C)C2)cc1C(=O)[O-] ZINC000902552991 980930555 /nfs/dbraw/zinc/93/05/55/980930555.db2.gz BDWYZFUTEWSPMU-NSHDSACASA-N 0 1 279.380 3.551 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000902555737 980931492 /nfs/dbraw/zinc/93/14/92/980931492.db2.gz BAZKBSOMVONPQI-BZUAXINKSA-N 0 1 281.440 3.802 20 0 CHADMN C[C@@H](C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1)CC(C)(C)C ZINC000903616883 980994323 /nfs/dbraw/zinc/99/43/23/980994323.db2.gz MOYLMGLPGPQWHH-CYBMUJFWSA-N 0 1 289.419 3.815 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000903631320 981007561 /nfs/dbraw/zinc/00/75/61/981007561.db2.gz QAUKPAIOAPVGQK-HBUWYVDXSA-N 0 1 297.398 3.943 20 0 CHADMN CC1(C)C[C@@H](c2ccccc2)C[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000903935469 981055209 /nfs/dbraw/zinc/05/52/09/981055209.db2.gz ZQHNMAZBUDPQNV-OAHLLOKOSA-N 0 1 299.370 3.746 20 0 CHADMN CC[C@@H]1CCC[C@H](C[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2)C1 ZINC001595432244 981056636 /nfs/dbraw/zinc/05/66/36/981056636.db2.gz LYZGDOWKTUDAPK-VYDXJSESSA-N 0 1 289.419 3.961 20 0 CHADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1C/C=C\c1ccc(Cl)cc1 ZINC000903939243 981058177 /nfs/dbraw/zinc/05/81/77/981058177.db2.gz OKVKKRAOMJLJEX-BTBCPRSTSA-N 0 1 293.794 3.538 20 0 CHADMN CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(C)c(C(=O)[O-])o1 ZINC001595443780 981083176 /nfs/dbraw/zinc/08/31/76/981083176.db2.gz BHGUZGQFUGERFP-TZMCWYRMSA-N 0 1 279.380 3.687 20 0 CHADMN CC[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)[C@H]1C ZINC001595464706 981151734 /nfs/dbraw/zinc/15/17/34/981151734.db2.gz UVPBTYKSCSQAFU-CMPLNLGQSA-N 0 1 281.783 3.659 20 0 CHADMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(C)c(C(=O)[O-])[nH]1 ZINC001595505152 981281702 /nfs/dbraw/zinc/28/17/02/981281702.db2.gz YSDWCNZGAHGCIB-MRXNPFEDSA-N 0 1 298.386 3.531 20 0 CHADMN CCN(C/C=C\Cl)[C@H](C)c1cccc(OC)c1 ZINC000255363575 1118672817 /nfs/dbraw/zinc/67/28/17/1118672817.db2.gz YWNQXQRXJXKDQV-OJIASSBASA-N 0 1 253.773 3.831 20 0 CHADMN CC[C@](C)(C(=O)[O-])[N@@H+](CC1CC1)C[C@@H]1CC2CCC1CC2 ZINC001594784790 981799490 /nfs/dbraw/zinc/79/94/90/981799490.db2.gz HOQKQCJBSVGIQS-JMRUKAPWSA-N 0 1 293.451 3.778 20 0 CHADMN COc1cc(F)c(F)cc1C[N@H+]1CCC[C@H]1C(C)C ZINC001143400070 1118712881 /nfs/dbraw/zinc/71/28/81/1118712881.db2.gz LTADKVSSUSCXRE-AWEZNQCLSA-N 0 1 269.335 3.594 20 0 CHADMN CCCCC[C@H]1CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC001595690189 982192373 /nfs/dbraw/zinc/19/23/73/982192373.db2.gz KJFWVAFBTYPKNI-ZDUSSCGKSA-N 0 1 281.421 3.991 20 0 CHADMN CC1(C)C[C@@H](c2ccccc2)C[N@H+]1CCCCC(=O)[O-] ZINC000923272251 982854413 /nfs/dbraw/zinc/85/44/13/982854413.db2.gz FISRJFJBKVEWPR-OAHLLOKOSA-N 0 1 275.392 3.509 20 0 CHADMN CCC[N@H+](Cc1cc(C(=O)[O-])n(C)c1)CC1CCCCC1 ZINC001595885686 982907630 /nfs/dbraw/zinc/90/76/30/982907630.db2.gz AWYKUROVUXRGRH-UHFFFAOYSA-N 0 1 292.423 3.516 20 0 CHADMN O=C([O-])[C@H](c1ccccc1Cl)[N@H+]1CCC[C@H](CCF)C1 ZINC001118438145 982956637 /nfs/dbraw/zinc/95/66/37/982956637.db2.gz HSAWCYLVBZBWGN-RISCZKNCSA-N 0 1 299.773 3.537 20 0 CHADMN CC[C@@H](NCc1cccc2c1OCO2)c1cccc(OC)c1 ZINC000130847325 1125486515 /nfs/dbraw/zinc/48/65/15/1125486515.db2.gz OWJRUISSOKRJBW-MRXNPFEDSA-N 0 1 299.370 3.665 20 0 CHADMN CC[N@@H+](Cc1cc(C)c(C(=O)[O-])o1)Cc1ccc(C)cc1 ZINC001596359973 983837631 /nfs/dbraw/zinc/83/76/31/983837631.db2.gz UYNGVLXTQLCFHD-UHFFFAOYSA-N 0 1 287.359 3.617 20 0 CHADMN COc1ccc(C)cc1CN1CCC(C(F)(F)F)CC1 ZINC000075969483 1119181220 /nfs/dbraw/zinc/18/12/20/1119181220.db2.gz IXCIKJKQYWEYQE-UHFFFAOYSA-N 0 1 287.325 3.778 20 0 CHADMN CC(C)(C)c1cnc(CNC[C@@H]2C(C)(C)C2(F)F)s1 ZINC000657740010 1119312011 /nfs/dbraw/zinc/31/20/11/1119312011.db2.gz YQNJXMXVCLTUOB-SECBINFHSA-N 0 1 288.407 3.822 20 0 CHADMN Cc1nc(CN2CCC[C@@](C)(c3ccccc3)C2)oc1C ZINC000113265408 1125492757 /nfs/dbraw/zinc/49/27/57/1125492757.db2.gz AIGNGQGFGUGGLK-GOSISDBHSA-N 0 1 284.403 3.845 20 0 CHADMN C[C@@H]1[C@H](C)C[N@@H+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)[C@H]1C ZINC001594503448 985698815 /nfs/dbraw/zinc/69/88/15/985698815.db2.gz YRHIMRKYUHEQCO-RBQUTUCGSA-N 0 1 299.773 3.581 20 0 CHADMN C[C@@H]1COCCN1CCCSc1ccccc1Cl ZINC000343740837 1119499876 /nfs/dbraw/zinc/49/98/76/1119499876.db2.gz YPDDIOCYAZNVDH-GFCCVEGCSA-N 0 1 285.840 3.543 20 0 CHADMN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1cc(C(=O)[O-])ccc1Cl ZINC001594536447 986151955 /nfs/dbraw/zinc/15/19/55/986151955.db2.gz QLSQEKQORCRPJW-OUAUKWLOSA-N 0 1 281.783 3.515 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])cs2)Cc2ccccc21 ZINC001594537709 986162209 /nfs/dbraw/zinc/16/22/09/986162209.db2.gz XTFRMKSETOSTFW-NSHDSACASA-N 0 1 287.384 3.566 20 0 CHADMN CC(C)CO[C@@H]1CCN(Cc2cnc(C(C)C)s2)C1 ZINC000091964145 1119560409 /nfs/dbraw/zinc/56/04/09/1119560409.db2.gz HNSOBGKLKHGZMZ-CYBMUJFWSA-N 0 1 282.453 3.513 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@@H]2c2ccsc2)o1 ZINC000685561362 1119630298 /nfs/dbraw/zinc/63/02/98/1119630298.db2.gz AVSWHZOACOJXBY-CYBMUJFWSA-N 0 1 262.378 3.690 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1Nc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC001597258449 987268788 /nfs/dbraw/zinc/26/87/88/987268788.db2.gz MNKPERVJOPBGQD-QWHCGFSZSA-N 0 1 294.420 3.564 20 0 CHADMN CC(C)(C)[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccccc1 ZINC001589796329 988195253 /nfs/dbraw/zinc/19/52/53/988195253.db2.gz PXLGULIBWZCLSB-UHFFFAOYSA-N 0 1 287.359 3.779 20 0 CHADMN Brc1ccnc(CN2CCC[C@@H]3CCC[C@@H]32)c1 ZINC001140766072 1119841103 /nfs/dbraw/zinc/84/11/03/1119841103.db2.gz WYPUXDZVRWHHLS-FZMZJTMJSA-N 0 1 295.224 3.609 20 0 CHADMN Cc1cnc(CSc2nc3ccc(Cl)cc3[nH]2)o1 ZINC000132986657 1125507407 /nfs/dbraw/zinc/50/74/07/1125507407.db2.gz QYPBWXWYIWJPMU-UHFFFAOYSA-N 0 1 279.752 3.805 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccnn1C1CCC1 ZINC000926783869 1120019595 /nfs/dbraw/zinc/01/95/95/1120019595.db2.gz CBCXXNWFKUCDJP-KWCYVHTRSA-N 0 1 265.376 3.539 20 0 CHADMN COC[C@H](CC(C)(C)C)N[C@H](C)c1nc(C)sc1C ZINC000655831901 1120095197 /nfs/dbraw/zinc/09/51/97/1120095197.db2.gz OAUYACHXFVQVKD-MFKMUULPSA-N 0 1 284.469 3.862 20 0 CHADMN CC(C)c1nc(CN(CC2CC2)C(C)C)cs1 ZINC000613629322 1120133100 /nfs/dbraw/zinc/13/31/00/1120133100.db2.gz ZLKRGQQPUOZKMJ-UHFFFAOYSA-N 0 1 252.427 3.887 20 0 CHADMN Cc1ccc(CN(C)Cc2ccoc2)cc1Br ZINC000313762081 1120148906 /nfs/dbraw/zinc/14/89/06/1120148906.db2.gz RDLGYODUGHVMGO-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN CC(C)[C@@H]1C[N@@H+](Cc2csc(C(=O)[O-])c2)[C@@H]1C(C)C ZINC001591096742 991692609 /nfs/dbraw/zinc/69/26/09/991692609.db2.gz QYJBTHYFMNRZLU-GXTWGEPZSA-N 0 1 281.421 3.559 20 0 CHADMN C[N@@H+](CCC1C2CC3CC(C2)CC1C3)C(C)(C)CC(=O)[O-] ZINC001598470659 992020431 /nfs/dbraw/zinc/02/04/31/992020431.db2.gz PHDPINSKTDQBOF-UHFFFAOYSA-N 0 1 293.451 3.634 20 0 CHADMN C[N@@H+](CC/C=C\c1ccccc1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598471752 992036684 /nfs/dbraw/zinc/03/66/84/992036684.db2.gz FDXIIADHXFSNGB-QCSXQHJISA-N 0 1 295.382 3.848 20 0 CHADMN CC(C)C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC001591207565 992042821 /nfs/dbraw/zinc/04/28/21/992042821.db2.gz RBAAXRBSOUMMOY-LBPRGKRZSA-N 0 1 281.421 3.704 20 0 CHADMN CC(C)CC1CC[NH+]([C@@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001591210967 992048972 /nfs/dbraw/zinc/04/89/72/992048972.db2.gz JPUBCXDQPRYCNS-NSHDSACASA-N 0 1 296.436 3.660 20 0 CHADMN C[N@@H+](CCCCC(=O)[O-])[C@H]1CCCC[C@H]1c1ccccc1 ZINC001598475923 992076971 /nfs/dbraw/zinc/07/69/71/992076971.db2.gz QTMHRSZFVITSBR-IRXDYDNUSA-N 0 1 289.419 3.900 20 0 CHADMN C[N@H+](Cc1cscc1Cl)Cc1ccc(C(=O)[O-])cc1 ZINC001598514058 992600041 /nfs/dbraw/zinc/60/00/41/992600041.db2.gz WBZVKNYTUJSTJO-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN C[N@@H+](Cc1cscc1Cl)Cc1ccc(C(=O)[O-])cc1 ZINC001598514058 992600045 /nfs/dbraw/zinc/60/00/45/992600045.db2.gz WBZVKNYTUJSTJO-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1csc(Cl)c1Cl ZINC001591587005 992795180 /nfs/dbraw/zinc/79/51/80/992795180.db2.gz JZAWGIJLYDUJFT-UHFFFAOYSA-N 0 1 296.219 3.740 20 0 CHADMN Clc1ncsc1CN1CCC[C@H]2CCCC[C@H]21 ZINC001137823006 1120321139 /nfs/dbraw/zinc/32/11/39/1120321139.db2.gz NYVZDJWECAANRB-GHMZBOCLSA-N 0 1 270.829 3.951 20 0 CHADMN CCc1nocc1CNC(C)(C)c1ccc(Cl)cc1 ZINC000660065149 1120359520 /nfs/dbraw/zinc/35/95/20/1120359520.db2.gz OYNVYOAEBTXCQK-UHFFFAOYSA-N 0 1 278.783 3.915 20 0 CHADMN C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)o1)c1cc(C(=O)[O-])co1 ZINC001593295997 994693996 /nfs/dbraw/zinc/69/39/96/994693996.db2.gz JBQOPUNMIWQZLV-SNVBAGLBSA-N 0 1 291.347 3.719 20 0 CHADMN C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)c1cc(C(=O)[O-])co1 ZINC001593297908 994708846 /nfs/dbraw/zinc/70/88/46/994708846.db2.gz BZPLEPWPWXNTMT-MRVPVSSYSA-N 0 1 297.713 3.621 20 0 CHADMN CCCC1(C[NH2+]Cc2c(F)ccc([O-])c2F)CCC1 ZINC000511606840 1120408892 /nfs/dbraw/zinc/40/88/92/1120408892.db2.gz YDOGYPBMHIFZGM-UHFFFAOYSA-N 0 1 269.335 3.730 20 0 CHADMN Cc1ccc(Cl)c(CN2C3CCC2CC3)c1F ZINC001138034731 1131455626 /nfs/dbraw/zinc/45/56/26/1131455626.db2.gz RBYIXXGBCTXEJA-UHFFFAOYSA-N 0 1 253.748 3.914 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCCC2(CCCC2)C1 ZINC001593690141 996135323 /nfs/dbraw/zinc/13/53/23/996135323.db2.gz OBOJSQRWDBIIFZ-LBPRGKRZSA-N 0 1 277.364 3.695 20 0 CHADMN CC1(C)C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC001593863001 996661559 /nfs/dbraw/zinc/66/15/59/996661559.db2.gz AKRIMMLPTSZGHH-HNNXBMFYSA-N 0 1 299.370 3.951 20 0 CHADMN CC1(C)CCC(C)(C)[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001593873935 996686406 /nfs/dbraw/zinc/68/64/06/996686406.db2.gz GUWIELKCFSAVFR-UHFFFAOYSA-N 0 1 293.382 3.925 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC001593942327 996965690 /nfs/dbraw/zinc/96/56/90/996965690.db2.gz FHLOZEPEOABOOI-KRWDZBQOSA-N 0 1 295.382 3.968 20 0 CHADMN Cc1nnc([C@@H](C)N[C@@H]2CCCC23CCCCC3)o1 ZINC000661129775 1120725068 /nfs/dbraw/zinc/72/50/68/1120725068.db2.gz PZTUXCMOUYCPPL-DGCLKSJQSA-N 0 1 263.385 3.532 20 0 CHADMN CC(C)c1nnc(CN2CCC(C)(C)CC(C)(C)C2)o1 ZINC000661626782 1120787109 /nfs/dbraw/zinc/78/71/09/1120787109.db2.gz LXDWJAWFVKGLLM-UHFFFAOYSA-N 0 1 279.428 3.841 20 0 CHADMN CCN1CCC[C@@H](O[C@](F)(Cl)c2ccccc2)C1 ZINC001222957801 1120843140 /nfs/dbraw/zinc/84/31/40/1120843140.db2.gz OIRFIQLOTIIZBB-KGLIPLIRSA-N 0 1 271.763 3.506 20 0 CHADMN CCS[C@@H](C)c1noc(CN[C@H](C)C2CCCC2)n1 ZINC000184642114 1120898737 /nfs/dbraw/zinc/89/87/37/1120898737.db2.gz ZHJJYOGDVQEPAY-MNOVXSKESA-N 0 1 283.441 3.552 20 0 CHADMN CC[C@@H](C)N(C)Cc1csc(-c2ccc(C)o2)n1 ZINC000068451151 1121054213 /nfs/dbraw/zinc/05/42/13/1121054213.db2.gz KBLYLBTWFXQHAM-SNVBAGLBSA-N 0 1 264.394 3.942 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001594292759 999129435 /nfs/dbraw/zinc/12/94/35/999129435.db2.gz MRAARDNPFGLIQF-LEOABGAYSA-N 0 1 279.424 3.530 20 0 CHADMN C[C@@H]1CCC(C)(C)[N@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001594296579 999143216 /nfs/dbraw/zinc/14/32/16/999143216.db2.gz UUSHDBQQAYHVCP-GFCCVEGCSA-N 0 1 298.386 3.696 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@@H+](C)C2(C(=O)[O-])CCCC2)C1 ZINC001594344889 999304569 /nfs/dbraw/zinc/30/45/69/999304569.db2.gz JVNWDVMAEAPPOL-ZIAGYGMSSA-N 0 1 267.413 3.532 20 0 CHADMN CC1(C)CCN(Cc2nc3ccc(F)cc3s2)C1 ZINC000432742938 1121310442 /nfs/dbraw/zinc/31/04/42/1121310442.db2.gz REBBWUHHDFEKHZ-UHFFFAOYSA-N 0 1 264.369 3.667 20 0 CHADMN CCC1(CC)CCN(Cc2n[nH]c(C(C)(C)C)n2)CC1 ZINC000432787337 1121354579 /nfs/dbraw/zinc/35/45/79/1121354579.db2.gz RXDJHDQTXDEPAL-UHFFFAOYSA-N 0 1 278.444 3.504 20 0 CHADMN CCCc1nc(CN[C@@H]2C[C@H](OC)C2(CC)CC)cs1 ZINC000429291744 1121510683 /nfs/dbraw/zinc/51/06/83/1121510683.db2.gz JBLZNBPVWNDMRX-KGLIPLIRSA-N 0 1 296.480 3.779 20 0 CHADMN CCSc1ccccc1C[C@H](C)NCc1cscn1 ZINC000924871284 1121555609 /nfs/dbraw/zinc/55/56/09/1121555609.db2.gz IQQWBGJKMKWSNS-LBPRGKRZSA-N 0 1 292.473 3.976 20 0 CHADMN Fc1cccc(Br)c1CN[C@H]1CC[C@H](F)C1 ZINC000336698708 1121721226 /nfs/dbraw/zinc/72/12/26/1121721226.db2.gz MVUUNSRZSHNWHB-IUCAKERBSA-N 0 1 290.151 3.568 20 0 CHADMN Cc1ccnc(CN2CCC[C@@H](C)[C@H]2C)c1Br ZINC001179858976 1121918041 /nfs/dbraw/zinc/91/80/41/1121918041.db2.gz JLJBXMIXSSBQPO-ZYHUDNBSSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1cc(CN2CC[C@H](F)C2)ccc1C(F)(F)F ZINC000414457413 1122015833 /nfs/dbraw/zinc/01/58/33/1122015833.db2.gz KWAOAHCCXKPLNB-NSHDSACASA-N 0 1 261.262 3.558 20 0 CHADMN Cc1cccc(CN2CCC[C@H](CC(F)(F)F)C2)n1 ZINC000420949682 1122049198 /nfs/dbraw/zinc/04/91/98/1122049198.db2.gz OYYIMMVRSKXLKY-GFCCVEGCSA-N 0 1 272.314 3.554 20 0 CHADMN CC[C@H](NCc1c(F)c(F)c(F)c(F)c1F)C1CC1 ZINC000774509010 1122170683 /nfs/dbraw/zinc/17/06/83/1122170683.db2.gz QHGDZRWIOSSRQQ-QMMMGPOBSA-N 0 1 279.252 3.660 20 0 CHADMN COC(=O)[C@H](NC[C@@H]1CCC[C@H](C)C1)C1CCCCC1 ZINC001193167161 1122679965 /nfs/dbraw/zinc/67/99/65/1122679965.db2.gz WKSYNNSAGCTFNL-SQWLQELKSA-N 0 1 281.440 3.524 20 0 CHADMN Cc1nocc1CN(C)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000353569626 1122744097 /nfs/dbraw/zinc/74/40/97/1122744097.db2.gz OJHDNXOZMWQVLT-NWDGAFQWSA-N 0 1 276.302 3.536 20 0 CHADMN Cc1cc(CNC2(c3cccc(Cl)c3)CC2)sn1 ZINC000638663427 1122818233 /nfs/dbraw/zinc/81/82/33/1122818233.db2.gz HAIODBWLTARLQQ-UHFFFAOYSA-N 0 1 278.808 3.884 20 0 CHADMN CC(C)(C)OCCCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664826289 1122868459 /nfs/dbraw/zinc/86/84/59/1122868459.db2.gz PWBZZLAQGQCASZ-HNNXBMFYSA-N 0 1 276.424 3.670 20 0 CHADMN CC(C)C[C@H](C)N1CCc2cc(F)cc(F)c2C1 ZINC001198844081 1123012583 /nfs/dbraw/zinc/01/25/83/1123012583.db2.gz DQPFXLVJBYJMHF-NSHDSACASA-N 0 1 253.336 3.758 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1nnc(C(C)(C)C)o1)C1CC1 ZINC000104966480 1123028280 /nfs/dbraw/zinc/02/82/80/1123028280.db2.gz BZFOSWZNNAMFOB-VXGBXAGGSA-N 0 1 279.428 3.766 20 0 CHADMN CC(C)CN1Cc2cc(Br)ccc2C[C@@H]1C ZINC001201482976 1123115721 /nfs/dbraw/zinc/11/57/21/1123115721.db2.gz TWPKBLCKXROBHJ-NSHDSACASA-N 0 1 282.225 3.852 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H]2COC3(CCC3)C2)cs1 ZINC000850444621 1123267537 /nfs/dbraw/zinc/26/75/37/1123267537.db2.gz VBBSZUPVPAIVKU-NWDGAFQWSA-N 0 1 280.437 3.629 20 0 CHADMN CN(CCSCc1ccccc1)Cc1ccco1 ZINC000192526080 1123649518 /nfs/dbraw/zinc/64/95/18/1123649518.db2.gz CAPMLDMXDZNMPZ-UHFFFAOYSA-N 0 1 261.390 3.645 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1N[C@H](C)c1ncc(C)o1 ZINC000346583329 1123697427 /nfs/dbraw/zinc/69/74/27/1123697427.db2.gz VZBBECGYCBDMJZ-FRRDWIJNSA-N 0 1 268.426 3.698 20 0 CHADMN CCC[C@H](C(=O)NOC1CCC1)c1cccc(Cl)c1 ZINC000861881417 1123786497 /nfs/dbraw/zinc/78/64/97/1123786497.db2.gz VPTUOXCVMLNSHW-AWEZNQCLSA-N 0 1 281.783 3.824 20 0 CHADMN CC(C)OCC(C)(C)NCc1csc(C(C)(C)C)n1 ZINC000396373494 1123857298 /nfs/dbraw/zinc/85/72/98/1123857298.db2.gz RTWPVZGKXBRTFE-UHFFFAOYSA-N 0 1 284.469 3.734 20 0 CHADMN CCCOCSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000863323818 1123861546 /nfs/dbraw/zinc/86/15/46/1123861546.db2.gz KFDVATUBFVFADE-UHFFFAOYSA-N 0 1 262.378 3.861 20 0 CHADMN Cc1ccc(CSc2n[nH]c(C(C)(C)C)n2)nc1Cl ZINC000865350277 1123973116 /nfs/dbraw/zinc/97/31/16/1123973116.db2.gz KNWIVRCTXGSKKB-UHFFFAOYSA-N 0 1 296.827 3.751 20 0 CHADMN C[C@@H](NCCCc1c(F)cccc1Cl)c1ccon1 ZINC000446763030 1124122372 /nfs/dbraw/zinc/12/23/72/1124122372.db2.gz SVIDMGHAMTZLSV-SNVBAGLBSA-N 0 1 282.746 3.751 20 0 CHADMN CCc1cnc(C[N@@H+](C)CCc2cccc(C)c2)s1 ZINC000449035698 1124636723 /nfs/dbraw/zinc/63/67/23/1124636723.db2.gz HTUSEVWBADQFJW-UHFFFAOYSA-N 0 1 274.433 3.688 20 0 CHADMN CCc1cnc(CN(C)CCc2cccc(C)c2)s1 ZINC000449035698 1124636729 /nfs/dbraw/zinc/63/67/29/1124636729.db2.gz HTUSEVWBADQFJW-UHFFFAOYSA-N 0 1 274.433 3.688 20 0 CHADMN CC(C)CCc1cc(=O)n([C@@H](C)c2ccccc2)[nH]1 ZINC000871949274 1124654294 /nfs/dbraw/zinc/65/42/94/1124654294.db2.gz VKIBXZQFDBUCQE-ZDUSSCGKSA-N 0 1 258.365 3.772 20 0 CHADMN CC[C@H](N[C@H]1CCC[C@H](C(F)(F)F)C1)C(F)F ZINC000449363484 1124712487 /nfs/dbraw/zinc/71/24/87/1124712487.db2.gz PLLSWVCWBISGPK-CIUDSAMLSA-N 0 1 259.262 3.741 20 0 CHADMN CO[C@@H]1CCN(Cc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000449494821 1124762028 /nfs/dbraw/zinc/76/20/28/1124762028.db2.gz HBCXAHAGLHYNHV-GXFFZTMASA-N 0 1 288.218 3.850 20 0 CHADMN Fc1cc(F)cc(CN2CCC[C@]3(CCSC3)C2)c1 ZINC000449732682 1124853058 /nfs/dbraw/zinc/85/30/58/1124853058.db2.gz MEZSTIRMOFYDHC-HNNXBMFYSA-N 0 1 283.387 3.684 20 0 CHADMN CC(C)[C@@H]1CCCCN1Cc1nc2c(o1)CCCC2 ZINC000878111725 1125120515 /nfs/dbraw/zinc/12/05/15/1125120515.db2.gz CWDPNCJEXJWKBQ-AWEZNQCLSA-N 0 1 262.397 3.564 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)cc1)c1cncs1 ZINC000128454865 1125276563 /nfs/dbraw/zinc/27/65/63/1125276563.db2.gz CHJDYEHPJPFEFR-NXEZZACHSA-N 0 1 250.342 3.694 20 0 CHADMN C[C@H](c1nc(CCC(C)(C)C)no1)N1[C@H](C)CC[C@@H]1C ZINC000508640378 1125289933 /nfs/dbraw/zinc/28/99/33/1125289933.db2.gz ZXDAGAXJKFISKY-FRRDWIJNSA-N 0 1 279.428 3.982 20 0 CHADMN Cc1occc1CN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000666356074 1125357532 /nfs/dbraw/zinc/35/75/32/1125357532.db2.gz DVHSGDSLZSSCQI-CABZTGNLSA-N 0 1 261.287 3.751 20 0 CHADMN O=C([O-])CC[N@@H+](CCCC1CCCCC1)CC1CC1 ZINC000717152206 1125421902 /nfs/dbraw/zinc/42/19/02/1125421902.db2.gz SFVQLGDFBSCMIM-UHFFFAOYSA-N 0 1 267.413 3.534 20 0 CHADMN CC(C)c1nc(CN2CC3CCC(CC3)C2)cs1 ZINC001138887808 1131557850 /nfs/dbraw/zinc/55/78/50/1131557850.db2.gz BIFYOYWGYDDMMY-UHFFFAOYSA-N 0 1 264.438 3.889 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844452701 1131562618 /nfs/dbraw/zinc/56/26/18/1131562618.db2.gz MMGOXMQQKXLORR-KPXOXKRLSA-N 0 1 257.711 3.598 20 0 CHADMN Cc1ccc(CN(C)Cc2ccnc(Cl)c2)cc1C ZINC000832633477 1131573282 /nfs/dbraw/zinc/57/32/82/1131573282.db2.gz FVUBYFJXTGZEEQ-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CC[C@H]1CCCN1Cc1ccc(Br)c(OC)c1 ZINC001144232012 1131603849 /nfs/dbraw/zinc/60/38/49/1131603849.db2.gz DWJKYUGRLZCVQF-LBPRGKRZSA-N 0 1 298.224 3.832 20 0 CHADMN Cc1cnc(Cl)c(CN2CCC[C@@](C)(F)CC2)c1 ZINC001139588942 1131618755 /nfs/dbraw/zinc/61/87/55/1131618755.db2.gz BZCUIOJMVFFXOB-CQSZACIVSA-N 0 1 270.779 3.758 20 0 CHADMN Cc1nc([C@H](C)Sc2nc(C(C)C)cs2)n[nH]1 ZINC000845331188 1131626926 /nfs/dbraw/zinc/62/69/26/1131626926.db2.gz SDDNAPJVRUGYRO-ZETCQYMHSA-N 0 1 268.411 3.546 20 0 CHADMN CCCOC1CCN(Cc2cc(Cl)cc(OC)c2)CC1 ZINC001144487038 1131644110 /nfs/dbraw/zinc/64/41/10/1131644110.db2.gz AGBQUEPEANJHMK-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(C(F)(F)F)ccn1 ZINC001140108977 1131663663 /nfs/dbraw/zinc/66/36/63/1131663663.db2.gz VSKZGNWZJWBSIF-CYBMUJFWSA-N 0 1 272.314 3.865 20 0 CHADMN CCCCC[C@H](CC)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227709656 1131726846 /nfs/dbraw/zinc/72/68/46/1131726846.db2.gz FDMCIFKJBIROLB-QWRGUYRKSA-N 0 1 280.368 3.511 20 0 CHADMN Fc1ccccc1[C@@H]1CCN(CC2(Br)CC2)C1 ZINC000846802596 1131741632 /nfs/dbraw/zinc/74/16/32/1131741632.db2.gz IYNWCYRIDGIXFQ-LLVKDONJSA-N 0 1 298.199 3.543 20 0 CHADMN CN(CCC1CC1)Cc1cc(F)c(Cl)cc1F ZINC001140702805 1131884532 /nfs/dbraw/zinc/88/45/32/1131884532.db2.gz XCPKZQIDJZYITK-UHFFFAOYSA-N 0 1 259.727 3.850 20 0 CHADMN Clc1ncc2ccccc2c1CN1CCCCC1 ZINC001140720411 1131893445 /nfs/dbraw/zinc/89/34/45/1131893445.db2.gz PYDGDVZMCOOZBE-UHFFFAOYSA-N 0 1 260.768 3.874 20 0 CHADMN COCCC1CCN(Cc2c(Cl)cccc2OC)CC1 ZINC001140729991 1131901068 /nfs/dbraw/zinc/90/10/68/1131901068.db2.gz WKGYUAAZRAIRDI-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN CCC(CC)[C@@H](CC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228508361 1131899282 /nfs/dbraw/zinc/89/92/82/1131899282.db2.gz CKAXSNIVUIMDDU-SECBINFHSA-N 0 1 282.775 3.600 20 0 CHADMN CC[C@@H](NCc1cnn(C)c1Cl)c1ccc(C)cc1 ZINC000712402862 1131954645 /nfs/dbraw/zinc/95/46/45/1131954645.db2.gz SYJLDPRJEIIAER-CQSZACIVSA-N 0 1 277.799 3.623 20 0 CHADMN C[C@@H](NCc1ccc(F)c(Cl)c1)c1ccns1 ZINC000716055673 1132003057 /nfs/dbraw/zinc/00/30/57/1132003057.db2.gz OURIIKCSUMRXDI-MRVPVSSYSA-N 0 1 270.760 3.786 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccns2)ccc1Cl ZINC000715980193 1132007282 /nfs/dbraw/zinc/00/72/82/1132007282.db2.gz XHXYDSFLUVWVQE-VIFPVBQESA-N 0 1 282.796 3.656 20 0 CHADMN CC[C@H](C(=O)OC(C)(C)C)N(C)CCC1CCCC1 ZINC001171670978 1132074115 /nfs/dbraw/zinc/07/41/15/1132074115.db2.gz NHFNTJAHAWGUOK-CQSZACIVSA-N 0 1 269.429 3.619 20 0 CHADMN Clc1cccc(CN2CCSC3(CCC3)CC2)n1 ZINC000839626230 1132227313 /nfs/dbraw/zinc/22/73/13/1132227313.db2.gz QYIRZVCZKJIVJL-UHFFFAOYSA-N 0 1 282.840 3.597 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1cc(C)c(C)cc1C ZINC001231484946 1132300578 /nfs/dbraw/zinc/30/05/78/1132300578.db2.gz FKWWZELVNOIMGI-KRWDZBQOSA-N 0 1 259.393 3.555 20 0 CHADMN Cc1c(F)ccc(CN2CC3CCC2CC3)c1F ZINC001231478116 1132297836 /nfs/dbraw/zinc/29/78/36/1132297836.db2.gz WWPKUQVZHUWOQQ-UHFFFAOYSA-N 0 1 251.320 3.648 20 0 CHADMN Cc1c(C)c(C)c(CN2CCCC(=O)CC2)c(C)c1C ZINC001231492827 1132304042 /nfs/dbraw/zinc/30/40/42/1132304042.db2.gz NSYQKMUURSZLDT-UHFFFAOYSA-N 0 1 273.420 3.784 20 0 CHADMN COc1cc(C)c(CN2CC(C(F)F)C2)cc1C(C)C ZINC001231628034 1132331521 /nfs/dbraw/zinc/33/15/21/1132331521.db2.gz PDQRCDPPTNTVDF-UHFFFAOYSA-N 0 1 283.362 3.824 20 0 CHADMN CCCCN(C)Cc1c(Cl)cc(OC)cc1OC ZINC001231694696 1132346195 /nfs/dbraw/zinc/34/61/95/1132346195.db2.gz VTSOGWXSURXCMC-UHFFFAOYSA-N 0 1 271.788 3.589 20 0 CHADMN C[C@@]1(F)CCC[N@@H+](Cc2ccc(Cl)c(O)c2)CC1 ZINC001231733597 1132346667 /nfs/dbraw/zinc/34/66/67/1132346667.db2.gz ZQGGNGIOHCTICX-CQSZACIVSA-N 0 1 271.763 3.760 20 0 CHADMN C[C@@]1(F)CCC[N@H+](Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231733597 1132346675 /nfs/dbraw/zinc/34/66/75/1132346675.db2.gz ZQGGNGIOHCTICX-CQSZACIVSA-N 0 1 271.763 3.760 20 0 CHADMN C[C@@]1(F)CCC[N@@H+](Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231733597 1132346681 /nfs/dbraw/zinc/34/66/81/1132346681.db2.gz ZQGGNGIOHCTICX-CQSZACIVSA-N 0 1 271.763 3.760 20 0 CHADMN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(Cl)c([O-])c2)C1 ZINC001231736109 1132351540 /nfs/dbraw/zinc/35/15/40/1132351540.db2.gz DRJQDRWYLJJEQW-GHMZBOCLSA-N 0 1 253.773 3.524 20 0 CHADMN C[C@@H](CSc1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001172875052 1132353179 /nfs/dbraw/zinc/35/31/79/1132353179.db2.gz HIXAJXMYWYVSMQ-LBPRGKRZSA-N 0 1 299.867 3.931 20 0 CHADMN CC(C)N(Cc1cc(Br)ncc1F)C(C)C ZINC001231913192 1132400442 /nfs/dbraw/zinc/40/04/42/1132400442.db2.gz HNEFRSHPGHTAOO-UHFFFAOYSA-N 0 1 289.192 3.602 20 0 CHADMN CN(Cc1ncc(Cl)n1C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000841892161 1132401591 /nfs/dbraw/zinc/40/15/91/1132401591.db2.gz SZXJDQSMIMAHAJ-VXGBXAGGSA-N 0 1 283.847 3.720 20 0 CHADMN CCCCN(CC)Cc1c(Cl)n(C)nc1C(F)F ZINC001232052753 1132414726 /nfs/dbraw/zinc/41/47/26/1132414726.db2.gz VUBSPDQGTVDCNB-UHFFFAOYSA-N 0 1 279.762 3.633 20 0 CHADMN CC[C@H]1CCCN(Cc2cccc(C(F)(F)F)n2)C1 ZINC001232072040 1132419441 /nfs/dbraw/zinc/41/94/41/1132419441.db2.gz YEHVLXANQUFOPI-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C(=O)[O-])[C@@H](C)C1 ZINC001142660367 1132419542 /nfs/dbraw/zinc/41/95/42/1132419542.db2.gz PROZFJINCSNWNO-MNOVXSKESA-N 0 1 281.783 3.659 20 0 CHADMN COc1ccnc(Cl)c1CN(CC(C)C)CC(C)C ZINC001232152442 1132427154 /nfs/dbraw/zinc/42/71/54/1132427154.db2.gz QJBNPLZKBIPERV-UHFFFAOYSA-N 0 1 284.831 3.858 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1Cc1cnsc1 ZINC001232225732 1132438573 /nfs/dbraw/zinc/43/85/73/1132438573.db2.gz GDTWKYVTHIQKIJ-HNNXBMFYSA-N 0 1 258.390 3.789 20 0 CHADMN CCSC[C@@H](C)NCc1nccc(Cl)c1Cl ZINC001173298855 1132447343 /nfs/dbraw/zinc/44/73/43/1132447343.db2.gz OEUYHJJEYZZFCV-MRVPVSSYSA-N 0 1 279.236 3.620 20 0 CHADMN C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cccc([O-])c1Cl ZINC000328329830 1132524737 /nfs/dbraw/zinc/52/47/37/1132524737.db2.gz HWHCOTJUXKHDBI-GHMZBOCLSA-N 0 1 253.773 3.809 20 0 CHADMN CCOc1ccc(CN2CCC[C@H](C)CC2)c(F)c1F ZINC001143269059 1132526992 /nfs/dbraw/zinc/52/69/92/1132526992.db2.gz IQNSSYQLIATJIL-LBPRGKRZSA-N 0 1 283.362 3.986 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(O)cc(Br)c2)CC1 ZINC001232994833 1132559884 /nfs/dbraw/zinc/55/98/84/1132559884.db2.gz UXKATIDIBQCXLB-LLVKDONJSA-N 0 1 298.224 3.777 20 0 CHADMN CCc1ccc(Cl)c(O[C@H]2CCCN(CC)C2)c1 ZINC001233759662 1132674674 /nfs/dbraw/zinc/67/46/74/1132674674.db2.gz KAFBNXICTNIVCF-ZDUSSCGKSA-N 0 1 267.800 3.766 20 0 CHADMN C[C@]1(O)CCCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC001203388345 1133321108 /nfs/dbraw/zinc/32/11/08/1133321108.db2.gz CFKBYFUHOWWVHY-AWEZNQCLSA-N 0 1 288.218 3.730 20 0 CHADMN Fc1c(Br)cccc1CN1CCC[C@H]1C1CC1 ZINC001204449027 1133448831 /nfs/dbraw/zinc/44/88/31/1133448831.db2.gz HFQDJMBACCUHPD-ZDUSSCGKSA-N 0 1 298.199 3.963 20 0 CHADMN C[C@H]1CCCCCN1Cc1cc(F)c(F)c(F)c1 ZINC001204528353 1133460094 /nfs/dbraw/zinc/46/00/94/1133460094.db2.gz ZQJIWPGIVGGWLZ-JTQLQIEISA-N 0 1 257.299 3.868 20 0 CHADMN Fc1cnc(CN2CCCCCCCC2)c(F)c1 ZINC001207103438 1133766669 /nfs/dbraw/zinc/76/66/69/1133766669.db2.gz UKYAKNPABOIRFF-UHFFFAOYSA-N 0 1 254.324 3.516 20 0 CHADMN CC(C)c1nc(CN(C)CC2CCSCC2)cs1 ZINC001207751981 1133844669 /nfs/dbraw/zinc/84/46/69/1133844669.db2.gz SYJVYDBUTITSDC-UHFFFAOYSA-N 0 1 284.494 3.842 20 0 CHADMN Fc1ccc(CCN2CCC[C@H](C(F)F)C2)c(Cl)c1 ZINC001209112131 1133975827 /nfs/dbraw/zinc/97/58/27/1133975827.db2.gz IKOVTGWLJBORQM-NSHDSACASA-N 0 1 291.744 3.999 20 0 CHADMN C[C@@H]1C[C@H]1CN1CCO[C@@](C)(c2ccc(Cl)cc2)C1 ZINC001209420153 1134015770 /nfs/dbraw/zinc/01/57/70/1134015770.db2.gz BXBSCYSNCMXHND-DVOMOZLQSA-N 0 1 279.811 3.543 20 0 CHADMN Cc1nocc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210926837 1134329887 /nfs/dbraw/zinc/32/98/87/1134329887.db2.gz ORITVVSSKHLRGV-UHFFFAOYSA-N 0 1 259.092 3.739 20 0 CHADMN Cc1ncc(Nc2cc(Cl)c(O)c(Cl)c2)nc1C ZINC001210927612 1134330019 /nfs/dbraw/zinc/33/00/19/1134330019.db2.gz WZGQGEWNRPUGCB-UHFFFAOYSA-N 0 1 284.146 3.849 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccc(Cl)cn2)c1F ZINC001214791563 1134573673 /nfs/dbraw/zinc/57/36/73/1134573673.db2.gz XVPLNLTXBIXOCJ-UHFFFAOYSA-N 0 1 273.094 3.977 20 0 CHADMN COc1ccc(Nc2ccc(Cl)c(O)c2F)cc1O ZINC001214799072 1134574564 /nfs/dbraw/zinc/57/45/64/1134574564.db2.gz KNVLCQMJWWBFEB-UHFFFAOYSA-N 0 1 283.686 3.643 20 0 CHADMN CC[N@H+]1CCC[C@@H](Oc2cc(Cl)ccc2Cl)C1 ZINC001225204813 1135513614 /nfs/dbraw/zinc/51/36/14/1135513614.db2.gz XTAKZWSWAZXJEL-LLVKDONJSA-N 0 1 274.191 3.857 20 0 CHADMN CCN1CCC[C@@H](Oc2cc(Cl)ccc2Cl)C1 ZINC001225204813 1135513618 /nfs/dbraw/zinc/51/36/18/1135513618.db2.gz XTAKZWSWAZXJEL-LLVKDONJSA-N 0 1 274.191 3.857 20 0 CHADMN Cc1cccc(CN2C[C@H](C)[C@@H]2c2ccccc2)n1 ZINC000348305970 1125508448 /nfs/dbraw/zinc/50/84/48/1125508448.db2.gz LHFNJFGIHDTVQR-SUMWQHHRSA-N 0 1 252.361 3.583 20 0 CHADMN CCO[C@@H](CCN[C@@H](C)c1cscn1)C1CCCC1 ZINC000536625703 1125508607 /nfs/dbraw/zinc/50/86/07/1125508607.db2.gz MONFGOOEWXMWFY-WFASDCNBSA-N 0 1 282.453 3.779 20 0 CHADMN Cc1nc2ccc(N(c3ccc(N)cn3)C3CCC3)cc2[nH]1 ZINC001213072085 1125509874 /nfs/dbraw/zinc/50/98/74/1125509874.db2.gz AZHAJNLVEUMZIM-UHFFFAOYSA-N 0 1 293.374 3.539 20 0 CHADMN CCc1nnc(CN[C@@H]2CCCC[C@H]2Cc2ccccc2)o1 ZINC000119019895 1125527318 /nfs/dbraw/zinc/52/73/18/1125527318.db2.gz LPIJXBCAZOIRCS-JKSUJKDBSA-N 0 1 299.418 3.523 20 0 CHADMN CC[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(F)cc1F ZINC000348312037 1125524290 /nfs/dbraw/zinc/52/42/90/1125524290.db2.gz UKKCDBQYQJYOQB-DLOVCJGASA-N 0 1 261.262 3.659 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1Cc1nccn1C(F)F ZINC000135328689 1125524922 /nfs/dbraw/zinc/52/49/22/1125524922.db2.gz WBDYJHOQABAELO-VXGBXAGGSA-N 0 1 271.355 3.679 20 0 CHADMN Cc1nnsc1CN1CCC[C@@H]1c1cccc(C)c1C ZINC000567314990 1125529240 /nfs/dbraw/zinc/52/92/40/1125529240.db2.gz OYYMAFZUYWANET-OAHLLOKOSA-N 0 1 287.432 3.800 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccccc2Cn2cccn2)o1 ZINC000119293724 1125530297 /nfs/dbraw/zinc/53/02/97/1125530297.db2.gz KEKOAJCZZQNHGD-HNNXBMFYSA-N 0 1 295.386 3.684 20 0 CHADMN CCc1nnc([C@@H](C)N2CC[C@H](c3ccc(C)cc3C)C2)o1 ZINC000348315360 1125534013 /nfs/dbraw/zinc/53/40/13/1125534013.db2.gz IUCQIJJTILULRL-CABCVRRESA-N 0 1 299.418 3.799 20 0 CHADMN C(c1nc(C2CC2)no1)N1CCC[C@@H]1CC1CCCCC1 ZINC000057871638 1125540611 /nfs/dbraw/zinc/54/06/11/1125540611.db2.gz XTYGEJZUAWCHQC-OAHLLOKOSA-N 0 1 289.423 3.882 20 0 CHADMN Cc1oc(-c2ccccc2)nc1CN(C)[C@@H]1CCSC1 ZINC000119984679 1125541850 /nfs/dbraw/zinc/54/18/50/1125541850.db2.gz ZPYUYYXKKZWUCS-CQSZACIVSA-N 0 1 288.416 3.587 20 0 CHADMN CC(=O)Nc1nc(CN2CCC[C@@H]2CC(C)(C)C)cs1 ZINC000061039987 1125546238 /nfs/dbraw/zinc/54/62/38/1125546238.db2.gz OKCDXOGILWIJOW-CYBMUJFWSA-N 0 1 295.452 3.502 20 0 CHADMN c1cc(CNCc2ccc(OC3CCCC3)cc2)co1 ZINC000729684481 1125548359 /nfs/dbraw/zinc/54/83/59/1125548359.db2.gz VHFHMZPQVOQFOO-UHFFFAOYSA-N 0 1 271.360 3.891 20 0 CHADMN C[C@H](N[C@@H]1CC[C@H](F)C1)c1nc(C(F)(F)F)cs1 ZINC000348323485 1125554381 /nfs/dbraw/zinc/55/43/81/1125554381.db2.gz NJEQSBUKOPJDHW-BIIVOSGPSA-N 0 1 282.306 3.703 20 0 CHADMN CC[C@@H](NCc1ccc(C)nn1)c1ccc(Cl)cc1 ZINC000396648596 1125566981 /nfs/dbraw/zinc/56/69/81/1125566981.db2.gz RTTKHILSXOAGLB-OAHLLOKOSA-N 0 1 275.783 3.679 20 0 CHADMN Cc1ccc2nc(CN3CCCC[C@@H](F)C3)ccc2c1 ZINC001137210940 1125569068 /nfs/dbraw/zinc/56/90/68/1125569068.db2.gz HYOMBWKVIUBPFM-OAHLLOKOSA-N 0 1 272.367 3.867 20 0 CHADMN c1nc2ccc(CNc3ccc4ncccc4c3)cc2[nH]1 ZINC000532726787 1125576291 /nfs/dbraw/zinc/57/62/91/1125576291.db2.gz HUNWQCQEXPNSOQ-UHFFFAOYSA-N 0 1 274.327 3.723 20 0 CHADMN COc1ncc(CN(C)[C@@H](C)c2ccccc2)cc1Cl ZINC000532779596 1125579616 /nfs/dbraw/zinc/57/96/16/1125579616.db2.gz FVVIKNBIOZRBRP-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN Cc1ccc(CCN2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000532923161 1125589873 /nfs/dbraw/zinc/58/98/73/1125589873.db2.gz HIIPLEBBUSAVET-LJQANCHMSA-N 0 1 299.389 3.750 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)NOCC(C)C)c1ccccc1 ZINC000135344684 1125586245 /nfs/dbraw/zinc/58/62/45/1125586245.db2.gz DLJLCGGRVOYCKE-DZGCQCFKSA-N 0 1 263.381 3.520 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1Cc1nnc(C(C)(C)C)o1 ZINC000135342177 1125586394 /nfs/dbraw/zinc/58/63/94/1125586394.db2.gz CQWMGDIGBLAHMG-CHWSQXEVSA-N 0 1 279.428 3.768 20 0 CHADMN c1nc2ccc(CNc3ccc(-c4cnco4)cc3)cc2[nH]1 ZINC000532887259 1125587317 /nfs/dbraw/zinc/58/73/17/1125587317.db2.gz LEXOOWUQQTTYCI-UHFFFAOYSA-N 0 1 290.326 3.830 20 0 CHADMN c1ccc2cc(CNc3ccc4nn[nH]c4c3)ccc2c1 ZINC000139519312 1125592244 /nfs/dbraw/zinc/59/22/44/1125592244.db2.gz ARAFICDGRJWAIQ-UHFFFAOYSA-N 0 1 274.327 3.723 20 0 CHADMN c1ccc2cc(CNc3ccc4n[nH]nc4c3)ccc2c1 ZINC000139519312 1125592248 /nfs/dbraw/zinc/59/22/48/1125592248.db2.gz ARAFICDGRJWAIQ-UHFFFAOYSA-N 0 1 274.327 3.723 20 0 CHADMN CCCCCn1cc(CNCc2cccs2)c(C)n1 ZINC000348340969 1125596482 /nfs/dbraw/zinc/59/64/82/1125596482.db2.gz CFAMVXAACXNBHM-UHFFFAOYSA-N 0 1 277.437 3.733 20 0 CHADMN CCN(Cc1cccnc1)Cc1ccc2cc(C)ccc2n1 ZINC001137216085 1125597342 /nfs/dbraw/zinc/59/73/42/1125597342.db2.gz XWSSXULCNJSWGQ-UHFFFAOYSA-N 0 1 291.398 3.960 20 0 CHADMN COC(=O)[C@@H](c1ccccc1)N1CCC2(C1)CCCCC2 ZINC000533428401 1125606340 /nfs/dbraw/zinc/60/63/40/1125606340.db2.gz NJWRWLIOWWNLLM-MRXNPFEDSA-N 0 1 287.403 3.557 20 0 CHADMN Cc1cc(C)cc([C@H](C)NC(=O)c2cccc3nc[nH]c32)c1 ZINC000533463587 1125609510 /nfs/dbraw/zinc/60/95/10/1125609510.db2.gz NVHCYRQULMAFGP-ZDUSSCGKSA-N 0 1 293.370 3.671 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N(C)CCOCC1CC1 ZINC000533482169 1125610720 /nfs/dbraw/zinc/61/07/20/1125610720.db2.gz CEHRLPAXIRNFBU-MRXNPFEDSA-N 0 1 283.362 3.774 20 0 CHADMN CCCCCn1cc(CNCc2ccccc2)c(C)n1 ZINC000348353409 1125620789 /nfs/dbraw/zinc/62/07/89/1125620789.db2.gz SZJHSPMYIWRZRK-UHFFFAOYSA-N 0 1 271.408 3.672 20 0 CHADMN Fc1cccc(Cl)c1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000533670199 1125621757 /nfs/dbraw/zinc/62/17/57/1125621757.db2.gz DRBBZRRYCKLZOT-CYBMUJFWSA-N 0 1 297.801 3.728 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1nccn1Cc1ccccc1 ZINC000066531853 1125624617 /nfs/dbraw/zinc/62/46/17/1125624617.db2.gz VDOMBECHLORYGJ-HZPDHXFCSA-N 0 1 283.419 3.694 20 0 CHADMN CC[C@@H](C)N(C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000067117239 1125625531 /nfs/dbraw/zinc/62/55/31/1125625531.db2.gz PEXFCNUSYVBOMQ-SNVBAGLBSA-N 0 1 280.318 3.850 20 0 CHADMN Cc1coc(CNCc2ccc(OCC(F)(F)F)cc2)c1 ZINC000885910118 1125626205 /nfs/dbraw/zinc/62/62/05/1125626205.db2.gz FBQBYCTTWVXIHZ-UHFFFAOYSA-N 0 1 299.292 3.819 20 0 CHADMN CCCOc1ccc(CNCc2cc(C)co2)cc1OC ZINC000885920940 1125627385 /nfs/dbraw/zinc/62/73/85/1125627385.db2.gz MDKGFYVJIHJKLF-UHFFFAOYSA-N 0 1 289.375 3.675 20 0 CHADMN Cc1[nH]nc(CNc2cccc(OCC(C)C)c2)c1C ZINC000885933477 1125628603 /nfs/dbraw/zinc/62/86/03/1125628603.db2.gz VLNGUAWRLNNXRH-UHFFFAOYSA-N 0 1 273.380 3.673 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H](C)c1ccnn1C1CCC1 ZINC000925293629 1125628756 /nfs/dbraw/zinc/62/87/56/1125628756.db2.gz MQHPCWXHOOPNQY-KBPBESRZSA-N 0 1 284.407 3.723 20 0 CHADMN Cc1[nH]nc(CNc2cccc(OC3CCCC3)c2)c1C ZINC000885932783 1125629002 /nfs/dbraw/zinc/62/90/02/1125629002.db2.gz BOPHIQXEKFQAKG-UHFFFAOYSA-N 0 1 285.391 3.960 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1Cc1nnc(C(C)C)o1 ZINC000072776036 1125637116 /nfs/dbraw/zinc/63/71/16/1125637116.db2.gz SDAHGVKMHKYQCC-STQMWFEESA-N 0 1 265.401 3.594 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)Cc2nccn2Cc2ccccc2)C1 ZINC000073620138 1125638759 /nfs/dbraw/zinc/63/87/59/1125638759.db2.gz CIRNMTWZBOAGHH-FUHWJXTLSA-N 0 1 297.446 3.942 20 0 CHADMN COCC[C@@H](NC/C=C\c1cccc(F)c1)c1ccco1 ZINC000886059792 1125641932 /nfs/dbraw/zinc/64/19/32/1125641932.db2.gz LUAQOXSATZUISY-QQNRWZHASA-N 0 1 289.350 3.799 20 0 CHADMN Cc1cc([S-])ccc1OC1C[NH+](Cc2ccccc2)C1 ZINC001229634375 1125640251 /nfs/dbraw/zinc/64/02/51/1125640251.db2.gz HAZXKPKTXBDIRE-UHFFFAOYSA-N 0 1 285.412 3.547 20 0 CHADMN c1c[nH]c([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(CCC3)CO2)c1 ZINC000886049079 1125641210 /nfs/dbraw/zinc/64/12/10/1125641210.db2.gz FROHFUBTVGCFHW-HOCLYGCPSA-N 0 1 274.408 3.501 20 0 CHADMN CO[C@@H](c1ccccc1F)[C@@H](C)NCc1cc(C)co1 ZINC000886057594 1125642241 /nfs/dbraw/zinc/64/22/41/1125642241.db2.gz RFIWNUNZOKOZQF-MLGOLLRUSA-N 0 1 277.339 3.593 20 0 CHADMN CO[C@@H](c1ccccc1F)[C@H](C)NCc1cc(C)co1 ZINC000886057592 1125642325 /nfs/dbraw/zinc/64/23/25/1125642325.db2.gz RFIWNUNZOKOZQF-BLLLJJGKSA-N 0 1 277.339 3.593 20 0 CHADMN CCN(Cc1ccccc1)C(=O)c1cccc2[nH]c(C)nc21 ZINC000074732559 1125643083 /nfs/dbraw/zinc/64/30/83/1125643083.db2.gz ABOSRNKXGWYDNA-UHFFFAOYSA-N 0 1 293.370 3.534 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000246592194 1125645199 /nfs/dbraw/zinc/64/51/99/1125645199.db2.gz FWDOYOHFTVFFQG-ZFWWWQNUSA-N 0 1 297.402 3.573 20 0 CHADMN CC[C@](C)(NC[C@H]1CCC2(CCC2)CO1)c1nccs1 ZINC000886070948 1125645178 /nfs/dbraw/zinc/64/51/78/1125645178.db2.gz YEQSIJWNIRBQPQ-HIFRSBDPSA-N 0 1 294.464 3.707 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000246536739 1125646139 /nfs/dbraw/zinc/64/61/39/1125646139.db2.gz SINPKHQUOVSFFG-XJKCOSOUSA-N 0 1 297.402 3.886 20 0 CHADMN CCCNc1ccc(CNCc2cc(C)co2)cc1 ZINC000886092138 1125646541 /nfs/dbraw/zinc/64/65/41/1125646541.db2.gz OWSPSQBLNBWIOA-UHFFFAOYSA-N 0 1 258.365 3.700 20 0 CHADMN Cc1coc(CN[C@@H]2CCCN(C)c3ccccc32)c1 ZINC000886136127 1125655601 /nfs/dbraw/zinc/65/56/01/1125655601.db2.gz GPIAOQGFZUSTBA-MRXNPFEDSA-N 0 1 270.376 3.649 20 0 CHADMN Cc1coc(CN[C@@H](C)c2ccc3c(c2)CCCO3)c1 ZINC000886166489 1125659039 /nfs/dbraw/zinc/65/90/39/1125659039.db2.gz JMSCBGKXLAKIRB-ZDUSSCGKSA-N 0 1 271.360 3.764 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1ncco1 ZINC000886274354 1125665705 /nfs/dbraw/zinc/66/57/05/1125665705.db2.gz RDDVXILQBIUMPB-LNSITVRQSA-N 0 1 274.339 3.801 20 0 CHADMN CC(C)[C@@H](CN[C@H](C)c1ncco1)c1ccccc1 ZINC000886272611 1125666021 /nfs/dbraw/zinc/66/60/21/1125666021.db2.gz VZAYOBFXDCKTFJ-UKRRQHHQSA-N 0 1 258.365 3.765 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccccn2)o1 ZINC000076120322 1125668464 /nfs/dbraw/zinc/66/84/64/1125668464.db2.gz CPJCYNJCKSJRSD-CJNGLKHVSA-N 0 1 270.376 3.956 20 0 CHADMN C[C@]1(C(F)(F)F)CCN(CCSC(F)(F)F)C1 ZINC000886314324 1125668809 /nfs/dbraw/zinc/66/88/09/1125668809.db2.gz STYDJUQPWQYLBH-ZETCQYMHSA-N 0 1 281.265 3.514 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1cnc(C2CC2)s1 ZINC000886364070 1125672385 /nfs/dbraw/zinc/67/23/85/1125672385.db2.gz NWUWNGMGHVUTBV-OAHLLOKOSA-N 0 1 288.391 3.937 20 0 CHADMN Cc1ccc(CNC(C)(C)c2ccc(F)cc2F)cn1 ZINC000886350232 1125672474 /nfs/dbraw/zinc/67/24/74/1125672474.db2.gz NPSONYWSEBIDQP-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN Cc1cnccc1CNC(C)(C)c1ccc(F)cc1F ZINC000886350225 1125673267 /nfs/dbraw/zinc/67/32/67/1125673267.db2.gz NGAMGCXATUILSG-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN Cc1oncc1CN1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000249398647 1125680013 /nfs/dbraw/zinc/68/00/13/1125680013.db2.gz UGJCNBQNSANFJJ-ZBEGNZNMSA-N 0 1 274.339 3.705 20 0 CHADMN CCCCCCC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000886512154 1125681856 /nfs/dbraw/zinc/68/18/56/1125681856.db2.gz WTTBPCNHWZJQOT-UHFFFAOYSA-N 0 1 259.353 3.780 20 0 CHADMN C[C@@H]1CN(Cc2cccs2)C[C@@H](c2ccccc2)O1 ZINC000249947185 1125682842 /nfs/dbraw/zinc/68/28/42/1125682842.db2.gz ZDYYVBSXIAZAFH-CJNGLKHVSA-N 0 1 273.401 3.710 20 0 CHADMN CCCCc1ccc([C@H](C)NCc2cc(C)nn2C)cc1 ZINC000284198452 1125686927 /nfs/dbraw/zinc/68/69/27/1125686927.db2.gz GKMLZNCBBZZCEA-HNNXBMFYSA-N 0 1 285.435 3.922 20 0 CHADMN Cc1cc(CN2CC[C@H](C)[C@H]2c2ccccc2)no1 ZINC000886540996 1125687067 /nfs/dbraw/zinc/68/70/67/1125687067.db2.gz OHKFUGRKFNQVJJ-LRDDRELGSA-N 0 1 256.349 3.566 20 0 CHADMN CCCN1Cc2cccc(NC(=O)/C=C(\C)C3CC3)c2C1 ZINC000171309532 1125688927 /nfs/dbraw/zinc/68/89/27/1125688927.db2.gz ZXJWLVWWDYINFC-JLHYYAGUSA-N 0 1 284.403 3.707 20 0 CHADMN CCc1cccc2c1OCC[C@H]2N[C@@H]1CCc2cccnc21 ZINC000886544937 1125688947 /nfs/dbraw/zinc/68/89/47/1125688947.db2.gz CYKWVTUGCOJNPA-IAGOWNOFSA-N 0 1 294.398 3.745 20 0 CHADMN Fc1ccc(C2(N[C@@H]3CCc4cccnc43)CCC2)cc1 ZINC000886570280 1125691636 /nfs/dbraw/zinc/69/16/36/1125691636.db2.gz GFSXVZSPRMJZAI-MRXNPFEDSA-N 0 1 282.362 3.877 20 0 CHADMN CC(C)N(Cc1nc(-c2ccc(F)cc2)no1)C1CCC1 ZINC000077358023 1125692500 /nfs/dbraw/zinc/69/25/00/1125692500.db2.gz FZFQGVALZLXJPN-UHFFFAOYSA-N 0 1 289.354 3.639 20 0 CHADMN Fc1ccc2c(c1)OCCC[C@@H]2N[C@H]1CCc2cccnc21 ZINC000886580678 1125692536 /nfs/dbraw/zinc/69/25/36/1125692536.db2.gz USIHRISRWZOSRQ-HOTGVXAUSA-N 0 1 298.361 3.712 20 0 CHADMN CO[C@H]1CCC[C@H](Nc2ccc3c(c2)nc(C)n3C)CC1 ZINC000886585855 1125694222 /nfs/dbraw/zinc/69/42/22/1125694222.db2.gz GVUIMIXZLFZURX-ZFWWWQNUSA-N 0 1 287.407 3.641 20 0 CHADMN CCCNc1ccc(CN[C@H]2CCc3cccnc32)cc1 ZINC000886600736 1125695885 /nfs/dbraw/zinc/69/58/85/1125695885.db2.gz AGGVZSXOGDFEHU-KRWDZBQOSA-N 0 1 281.403 3.681 20 0 CHADMN CC[C@@H](C)C[C@H](CC)NCc1nccc(C(F)F)n1 ZINC000287195096 1125699852 /nfs/dbraw/zinc/69/98/52/1125699852.db2.gz WBBXWIREDLEZAI-MNOVXSKESA-N 0 1 271.355 3.719 20 0 CHADMN C[C@H](CSC(C)(C)C)NCc1cc(C2CC2)no1 ZINC000886682688 1125707519 /nfs/dbraw/zinc/70/75/19/1125707519.db2.gz NBFSSHQGPOYLDF-SNVBAGLBSA-N 0 1 268.426 3.562 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1ccc(C(F)(F)F)c(C)c1 ZINC000615013921 1125708570 /nfs/dbraw/zinc/70/85/70/1125708570.db2.gz ORFBKMXCIAQBBH-UHFFFAOYSA-N 0 1 297.280 3.552 20 0 CHADMN CCc1csc(CN2CCC(C(C)(C)C)CC2)n1 ZINC000202380966 1125708898 /nfs/dbraw/zinc/70/88/98/1125708898.db2.gz YXOCEUTWKTUUTA-UHFFFAOYSA-N 0 1 266.454 3.964 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1CCC[C@@H](C)C1 ZINC000253602026 1125719110 /nfs/dbraw/zinc/71/91/10/1125719110.db2.gz HHAILRQRTTVFJY-GHMZBOCLSA-N 0 1 277.393 3.591 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2cccc(OC(F)F)c2)s1 ZINC000037505627 1125719895 /nfs/dbraw/zinc/71/98/95/1125719895.db2.gz PXMUBBJKWXHQDY-VIFPVBQESA-N 0 1 298.358 3.904 20 0 CHADMN Clc1ccncc1CN1CCC12CCCCC2 ZINC001137231576 1125727448 /nfs/dbraw/zinc/72/74/48/1125727448.db2.gz PDUJLESHBFAEIC-UHFFFAOYSA-N 0 1 250.773 3.644 20 0 CHADMN Cc1cc(CN2CCC(C)(F)CC2)cc(F)c1F ZINC001143596999 1125727976 /nfs/dbraw/zinc/72/79/76/1125727976.db2.gz HUDWCSPMJGPGEF-UHFFFAOYSA-N 0 1 257.299 3.597 20 0 CHADMN CC(C)Cc1ccc(Cc2nc(C3(N)CCCC3)no2)cc1 ZINC000261652780 1125735891 /nfs/dbraw/zinc/73/58/91/1125735891.db2.gz DZVFPMBRBYDWSJ-UHFFFAOYSA-N 0 1 299.418 3.587 20 0 CHADMN CC[C@H](CN[C@H](C)c1nccs1)Oc1cccc(C)c1 ZINC000090218709 1125740834 /nfs/dbraw/zinc/74/08/34/1125740834.db2.gz WQWIFGKXQOEYNI-ZIAGYGMSSA-N 0 1 290.432 3.960 20 0 CHADMN NC1(c2noc(/C=C/c3ccccc3Cl)n2)CCCC1 ZINC000261795891 1125743947 /nfs/dbraw/zinc/74/39/47/1125743947.db2.gz OVCINCGKRFKKLK-BQYQJAHWSA-N 0 1 289.766 3.621 20 0 CHADMN CC(C)[C@@H](c1nc(C2(N)CCCC2)no1)c1ccccc1 ZINC000261833338 1125744065 /nfs/dbraw/zinc/74/40/65/1125744065.db2.gz RKQMJHLZRAXKBD-CQSZACIVSA-N 0 1 285.391 3.586 20 0 CHADMN NC1(c2noc(C3CCC(c4ccccc4)CC3)n2)CCC1 ZINC000261883126 1125746035 /nfs/dbraw/zinc/74/60/35/1125746035.db2.gz WPQKBOHMSPJIDU-UHFFFAOYSA-N 0 1 297.402 3.849 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cccc(N(C)C)n2)c1C ZINC000090852739 1125747364 /nfs/dbraw/zinc/74/73/64/1125747364.db2.gz OPDBXMQLQOTAGO-OAHLLOKOSA-N 0 1 283.419 3.615 20 0 CHADMN Cc1ccccc1[C@@H](NCc1ncc(Cl)n1C)C(C)C ZINC000091316818 1125749058 /nfs/dbraw/zinc/74/90/58/1125749058.db2.gz NBAXQFFMQGTGTP-INIZCTEOSA-N 0 1 291.826 3.869 20 0 CHADMN c1csc(-c2cnc(CNC3(C4CC4)CCC3)o2)c1 ZINC000887146222 1125753398 /nfs/dbraw/zinc/75/33/98/1125753398.db2.gz LVJUTHWJVCFJKD-UHFFFAOYSA-N 0 1 274.389 3.825 20 0 CHADMN Cc1cccc(C2=CCN(Cc3cccnc3)CC2)c1 ZINC000092822197 1125763025 /nfs/dbraw/zinc/76/30/25/1125763025.db2.gz PWMXKUKEWBWISN-UHFFFAOYSA-N 0 1 264.372 3.679 20 0 CHADMN CC[C@H](C)CN[C@H](c1ccccn1)c1ccccc1OC ZINC000093111440 1125764021 /nfs/dbraw/zinc/76/40/21/1125764021.db2.gz TURUWXZVOZDRCK-KSSFIOAISA-N 0 1 284.403 3.815 20 0 CHADMN COc1ccccc1CN(C)[C@@H](C)c1sc(C)nc1C ZINC000093275581 1125767431 /nfs/dbraw/zinc/76/74/31/1125767431.db2.gz XOOVWSHDZOGZNT-LBPRGKRZSA-N 0 1 290.432 3.962 20 0 CHADMN Cc1cc(Cl)nc(CNCc2ccc(F)c(C)c2)c1 ZINC000282063864 1125772658 /nfs/dbraw/zinc/77/26/58/1125772658.db2.gz PZGMVKHKBCEYNV-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN C[C@H](c1ncc(-c2ccccc2)o1)N1CCCCC1 ZINC000122379629 1125786628 /nfs/dbraw/zinc/78/66/28/1125786628.db2.gz XAKGZGANXBCIPC-CYBMUJFWSA-N 0 1 256.349 3.889 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CCC2(CC2)C1 ZINC001238696542 1131231937 /nfs/dbraw/zinc/23/19/37/1131231937.db2.gz XDWSCCARGGGARR-UHFFFAOYSA-N 0 1 263.356 3.599 20 0 CHADMN CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccc(C(F)F)nc2)C1(C)C ZINC000638159054 1129246152 /nfs/dbraw/zinc/24/61/52/1129246152.db2.gz NTNQZMSPYAMWDZ-XJKSGUPXSA-N 0 1 298.377 3.655 20 0 CHADMN CCOc1cccc(CN2CCCCC2)c1Br ZINC001238693116 1131232919 /nfs/dbraw/zinc/23/29/19/1131232919.db2.gz NQUZGKPCQCRMRH-UHFFFAOYSA-N 0 1 298.224 3.834 20 0 CHADMN CO[C@H]1CCN(Cc2ccc(F)cc2OC(C)C)[C@H](C)C1 ZINC001238698110 1131232932 /nfs/dbraw/zinc/23/29/32/1131232932.db2.gz DYUWQLHCPKFIHP-CJNGLKHVSA-N 0 1 295.398 3.612 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001238696768 1131233023 /nfs/dbraw/zinc/23/30/23/1131233023.db2.gz LCEDNARJPFDVHS-AEGPPILISA-N 0 1 281.346 3.545 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CCC[C@@H](F)CC1 ZINC001238696159 1131233129 /nfs/dbraw/zinc/23/31/29/1131233129.db2.gz VIZLJQMSWXZIJO-CQSZACIVSA-N 0 1 283.362 3.937 20 0 CHADMN COc1ncc(CN[C@@H]2CCc3c2cccc3Cl)s1 ZINC000638424396 1129257633 /nfs/dbraw/zinc/25/76/33/1129257633.db2.gz IGYYTCQRGJZTNW-CYBMUJFWSA-N 0 1 294.807 3.582 20 0 CHADMN COC1CCC(=Nc2cc(C(F)(F)F)cnc2F)CC1 ZINC001212877907 1129274905 /nfs/dbraw/zinc/27/49/05/1129274905.db2.gz AAWBITILYRYYDN-SNVBAGLBSA-N 0 1 290.260 3.734 20 0 CHADMN C[C@@H](CNCc1nccc(C(F)F)n1)C1CCCCC1 ZINC000639184463 1129290710 /nfs/dbraw/zinc/29/07/10/1129290710.db2.gz QALTYTCDUJKMDB-NSHDSACASA-N 0 1 283.366 3.720 20 0 CHADMN C[C@H]1CN(Cc2ccc(F)cc2Br)C2(CC2)C1 ZINC001137549867 1129456218 /nfs/dbraw/zinc/45/62/18/1129456218.db2.gz CMXYFTXBUGCFQT-SNVBAGLBSA-N 0 1 298.199 3.963 20 0 CHADMN CC1(C)CCN(Cn2c3ccccc3oc2=S)C1 ZINC000743390296 1129521660 /nfs/dbraw/zinc/52/16/60/1129521660.db2.gz ALCLSPOSIBPVIS-UHFFFAOYSA-N 0 1 262.378 3.653 20 0 CHADMN CC[C@@H](C)N1CCc2c(Br)cc(C)cc2C1 ZINC001169519913 1129732329 /nfs/dbraw/zinc/73/23/29/1129732329.db2.gz QQEZOSNHGBMHNS-LLVKDONJSA-N 0 1 282.225 3.914 20 0 CHADMN Cc1nc2ccc(CSC3=N[C@H](C)CS3)cc2[nH]1 ZINC000767394119 1129792117 /nfs/dbraw/zinc/79/21/17/1129792117.db2.gz KWWJXKABTCKGKS-MRVPVSSYSA-N 0 1 277.418 3.596 20 0 CHADMN CCS[C@H]1CC[C@H](N(C)Cc2coc(C3CC3)n2)C1 ZINC000769547985 1129917394 /nfs/dbraw/zinc/91/73/94/1129917394.db2.gz FTXHXYZHRLVOTK-KBPBESRZSA-N 0 1 280.437 3.658 20 0 CHADMN CSc1ncc(C)cc1CN1CCC[C@H]1c1ccccn1 ZINC001238717378 1131236379 /nfs/dbraw/zinc/23/63/79/1131236379.db2.gz SAOZLBLPDXHOFB-INIZCTEOSA-N 0 1 299.443 3.844 20 0 CHADMN CSc1ncc(C)cc1CN1CCC[C@H](C(F)F)C1 ZINC001238716653 1131236614 /nfs/dbraw/zinc/23/66/14/1131236614.db2.gz MPJZOTBWZCFXLM-NSHDSACASA-N 0 1 286.391 3.589 20 0 CHADMN Cc1cc(F)cc(NC(=O)c2c(O)cccc2Cl)c1 ZINC000771089291 1129971641 /nfs/dbraw/zinc/97/16/41/1129971641.db2.gz FSXFMZMXFUWWHF-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN CC(C)(C)c1coc(CN[C@H]2CCC[C@H]2CCCF)n1 ZINC000903313233 1130151675 /nfs/dbraw/zinc/15/16/75/1130151675.db2.gz LKDZZAYVWBNECB-STQMWFEESA-N 0 1 282.403 3.980 20 0 CHADMN CO[C@H](C)c1nc(CN[C@H]2CC[C@@H]2C2CCC2)cs1 ZINC000337986180 1126706004 /nfs/dbraw/zinc/70/60/04/1126706004.db2.gz BCRJQCFNCPVMSN-HONMWMINSA-N 0 1 280.437 3.519 20 0 CHADMN CC(C)CC[C@@H](O)CN(C)[C@H](C)c1cc(F)ccc1F ZINC000481723363 1126709000 /nfs/dbraw/zinc/70/90/00/1126709000.db2.gz APTBFOWADMATCW-TZMCWYRMSA-N 0 1 285.378 3.755 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccc1N(C)C)c1ccncc1F ZINC000338006378 1126709158 /nfs/dbraw/zinc/70/91/58/1126709158.db2.gz FWKIEUIMHHYJAA-OLZOCXBDSA-N 0 1 287.382 3.699 20 0 CHADMN CC(C)CC[C@H](O)CN(Cc1ccccc1F)C1CC1 ZINC000481728322 1126709633 /nfs/dbraw/zinc/70/96/33/1126709633.db2.gz SIYKHCLGHFUTLX-INIZCTEOSA-N 0 1 279.399 3.587 20 0 CHADMN CC[C@H](N[C@H]1CCCc2nn(C)cc21)c1ccccc1OC ZINC000338009983 1126710154 /nfs/dbraw/zinc/71/01/54/1126710154.db2.gz CAQVLJDOGJEGIH-HOTGVXAUSA-N 0 1 299.418 3.547 20 0 CHADMN CC(C)CC[C@@H](O)CN(C)Cc1ccccc1Cl ZINC000481741152 1126711099 /nfs/dbraw/zinc/71/10/99/1126711099.db2.gz JGOWFBYWUITEKB-CQSZACIVSA-N 0 1 269.816 3.569 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(F)cc1 ZINC000481742835 1126711872 /nfs/dbraw/zinc/71/18/72/1126711872.db2.gz WVNMNNXEJTWYGN-ZWNOBZJWSA-N 0 1 275.289 3.989 20 0 CHADMN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2cnc[nH]2)cc1 ZINC000338086233 1126717386 /nfs/dbraw/zinc/71/73/86/1126717386.db2.gz LPBQZLNVJHXMRA-INIZCTEOSA-N 0 1 297.402 3.685 20 0 CHADMN CC(C)(C)c1n[nH]c(SCCCc2ccccc2)n1 ZINC000192881706 1126717550 /nfs/dbraw/zinc/71/75/50/1126717550.db2.gz VUKNMDQOPONMQI-UHFFFAOYSA-N 0 1 275.421 3.827 20 0 CHADMN CC(C)(C)c1nc(SCCCc2ccccc2)n[nH]1 ZINC000192881706 1126717555 /nfs/dbraw/zinc/71/75/55/1126717555.db2.gz VUKNMDQOPONMQI-UHFFFAOYSA-N 0 1 275.421 3.827 20 0 CHADMN c1cc(-c2noc([C@@H]3NCC[C@@H]4CCCC[C@@H]34)n2)cs1 ZINC000899993688 1126720759 /nfs/dbraw/zinc/72/07/59/1126720759.db2.gz LPQIQVMNRQDARQ-CYZMBNFOSA-N 0 1 289.404 3.639 20 0 CHADMN C[C@H]1c2ccccc2OCCN1C[C@@H]1CC1(Cl)Cl ZINC000749060158 1130261681 /nfs/dbraw/zinc/26/16/81/1130261681.db2.gz IWMQYJKZJRQUBU-QWRGUYRKSA-N 0 1 286.202 3.636 20 0 CHADMN c1ccc(-c2noc([C@@H]3NCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000899993199 1126721784 /nfs/dbraw/zinc/72/17/84/1126721784.db2.gz DDRGECASPXXPNP-BPLDGKMQSA-N 0 1 283.375 3.577 20 0 CHADMN Cc1ccc(CN2CCC[C@H](CCF)C2)c(Cl)n1 ZINC000689490029 1130262971 /nfs/dbraw/zinc/26/29/71/1130262971.db2.gz GEUBHAMKZTWKAL-GFCCVEGCSA-N 0 1 270.779 3.615 20 0 CHADMN c1sc2ccccc2c1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000338208269 1126723742 /nfs/dbraw/zinc/72/37/42/1126723742.db2.gz UCNIZPLDGBLOAW-GJZGRUSLSA-N 0 1 273.401 3.655 20 0 CHADMN c1sc2ccccc2c1CN1CCO[C@H]2CCC[C@@H]21 ZINC000338208269 1126723746 /nfs/dbraw/zinc/72/37/46/1126723746.db2.gz UCNIZPLDGBLOAW-GJZGRUSLSA-N 0 1 273.401 3.655 20 0 CHADMN COC(=O)c1cc(-c2nc3ccc(Cl)cc3[nH]2)oc1C ZINC000338239112 1126726388 /nfs/dbraw/zinc/72/63/88/1126726388.db2.gz VLNWDUHKZPGREZ-UHFFFAOYSA-N 0 1 290.706 3.571 20 0 CHADMN CCCCCC[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000031095285 1126727420 /nfs/dbraw/zinc/72/74/20/1126727420.db2.gz CXNVPVWHGGMOEQ-LBPRGKRZSA-N 0 1 273.380 3.652 20 0 CHADMN CC(C)CC[C@@H]1CCCCN1Cc1ncnn1C(C)(C)C ZINC000338273403 1126729233 /nfs/dbraw/zinc/72/92/33/1126729233.db2.gz BNIZMCZMOPMWRN-HNNXBMFYSA-N 0 1 292.471 3.824 20 0 CHADMN COc1ccc(CN2CC=C(c3cccc(C)c3)CC2)nc1 ZINC000338280319 1126730685 /nfs/dbraw/zinc/73/06/85/1126730685.db2.gz MDMTXKKTDSISSM-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN Cc1csc(C2(NCCSC(C)C)CCC2)n1 ZINC000338295679 1126731702 /nfs/dbraw/zinc/73/17/02/1126731702.db2.gz JUWYOLKVYYDFHX-UHFFFAOYSA-N 0 1 270.467 3.562 20 0 CHADMN CCOC[C@@H](NCc1ncc(-c2cccs2)o1)C(C)C ZINC000348475199 1126732462 /nfs/dbraw/zinc/73/24/62/1126732462.db2.gz CTTXNWMHQNYHCS-GFCCVEGCSA-N 0 1 294.420 3.554 20 0 CHADMN Cc1nnc([C@H]2CCCCN2CCCc2cccc(C)c2)[nH]1 ZINC000338327868 1126734863 /nfs/dbraw/zinc/73/48/63/1126734863.db2.gz NXNNZFSNEURSRS-QGZVFWFLSA-N 0 1 298.434 3.581 20 0 CHADMN C[C@@H](C1CCCCC1)N(C)C(=O)c1cccc2n[nH]cc21 ZINC000338332762 1126735100 /nfs/dbraw/zinc/73/51/00/1126735100.db2.gz OKHLICDDJGKFJQ-LBPRGKRZSA-N 0 1 285.391 3.604 20 0 CHADMN CC1=C(c2ccco2)CN(Cc2ccnn2C(C)C)CC1 ZINC000338341767 1126735772 /nfs/dbraw/zinc/73/57/72/1126735772.db2.gz FZVFHQLHFCBCJH-UHFFFAOYSA-N 0 1 285.391 3.736 20 0 CHADMN COCc1nc(CN(C)[C@@H](C)C2CCCCC2)cs1 ZINC000338341580 1126736013 /nfs/dbraw/zinc/73/60/13/1126736013.db2.gz DUYAXYLESDAZQL-LBPRGKRZSA-N 0 1 282.453 3.690 20 0 CHADMN CCOc1cccc(CN2CCC(C)=C(c3ccco3)C2)n1 ZINC000338345595 1126736173 /nfs/dbraw/zinc/73/61/73/1126736173.db2.gz PABNQTYAXXNRSO-UHFFFAOYSA-N 0 1 298.386 3.753 20 0 CHADMN C[C@@H](Cc1ccccc1)CN1CCOCC12CCCC2 ZINC000481980294 1126738187 /nfs/dbraw/zinc/73/81/87/1126738187.db2.gz KTHMBBFUNCOEDN-INIZCTEOSA-N 0 1 273.420 3.510 20 0 CHADMN CC[C@@H]1CCC[N@H+]1Cc1cccc(Br)c1OC ZINC000481994816 1126738877 /nfs/dbraw/zinc/73/88/77/1126738877.db2.gz YBVHKXQYMYHBFT-GFCCVEGCSA-N 0 1 298.224 3.832 20 0 CHADMN CC[C@@H]1CCCN1Cc1cccc(Br)c1OC ZINC000481994816 1126738879 /nfs/dbraw/zinc/73/88/79/1126738879.db2.gz YBVHKXQYMYHBFT-GFCCVEGCSA-N 0 1 298.224 3.832 20 0 CHADMN CCCCc1nc(CN[C@H]2CC(C)(C)OC2(C)C)cs1 ZINC000482160525 1126744017 /nfs/dbraw/zinc/74/40/17/1126744017.db2.gz BCLAVEPYYQFHAD-ZDUSSCGKSA-N 0 1 296.480 3.921 20 0 CHADMN CCOc1cccc(CNC2(c3cccc(OC)c3)CC2)c1 ZINC000150905726 1126747615 /nfs/dbraw/zinc/74/76/15/1126747615.db2.gz XMMUTWYHIQZEKO-UHFFFAOYSA-N 0 1 297.398 3.873 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CC[C@@H](C(F)F)C1 ZINC000677732016 1130327701 /nfs/dbraw/zinc/32/77/01/1130327701.db2.gz WQYYVFFWSBPVOS-DTWKUNHWSA-N 0 1 261.262 3.613 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccc(N3CCCC3)nc2)o1 ZINC000151057901 1126750005 /nfs/dbraw/zinc/75/00/05/1126750005.db2.gz BSWCEMBSICXDMP-CQSZACIVSA-N 0 1 299.418 3.688 20 0 CHADMN C[C@@H]1CCCCN(Cc2cnc3ccc(Cl)cn23)C1 ZINC000482300522 1126749429 /nfs/dbraw/zinc/74/94/29/1126749429.db2.gz UBVOZJRGVQVYBL-GFCCVEGCSA-N 0 1 277.799 3.610 20 0 CHADMN Clc1cccc2c1OCCC[C@H]2NCc1cccnc1 ZINC000151081322 1126750921 /nfs/dbraw/zinc/75/09/21/1126750921.db2.gz IAWPTRGKRKBZMI-OAHLLOKOSA-N 0 1 288.778 3.739 20 0 CHADMN CCCn1nccc1CN1CCC(c2ccsc2)CC1 ZINC000668008339 1126751003 /nfs/dbraw/zinc/75/10/03/1126751003.db2.gz UIYWUDZFITUSMG-UHFFFAOYSA-N 0 1 289.448 3.734 20 0 CHADMN C[C@H](N[C@@H]1CCCC12CC2)c1nc(Cc2ccccc2)no1 ZINC000668051510 1126756903 /nfs/dbraw/zinc/75/69/03/1126756903.db2.gz RLKAIVSCALIPBX-DZGCQCFKSA-N 0 1 297.402 3.644 20 0 CHADMN CC[C@@](C)(NCc1cccc(C)c1)c1nccs1 ZINC000152613830 1126757386 /nfs/dbraw/zinc/75/73/86/1126757386.db2.gz LKCWNRICFCRVAX-OAHLLOKOSA-N 0 1 260.406 3.867 20 0 CHADMN CC1=C(C)CN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000482455226 1126757798 /nfs/dbraw/zinc/75/77/98/1126757798.db2.gz NQBQPCZZHGMKPA-UHFFFAOYSA-N 0 1 268.360 3.884 20 0 CHADMN COCC1=CCN(Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000482506712 1126761528 /nfs/dbraw/zinc/76/15/28/1126761528.db2.gz LVZXARYQJPHRPS-UHFFFAOYSA-N 0 1 284.403 3.563 20 0 CHADMN C[C@H](NC[C@@H]1CCCCO1)c1ncc(-c2ccccc2)o1 ZINC000174003006 1126765106 /nfs/dbraw/zinc/76/51/06/1126765106.db2.gz FGFKEGAOFFKSGG-ZFWWWQNUSA-N 0 1 286.375 3.561 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N(C)Cc1nc(C2CC2)no1 ZINC000173993344 1126765197 /nfs/dbraw/zinc/76/51/97/1126765197.db2.gz GTNFXBOPIZILTL-MRXNPFEDSA-N 0 1 299.418 3.709 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1csc(-c2ccccn2)n1 ZINC000174477032 1126770816 /nfs/dbraw/zinc/77/08/16/1126770816.db2.gz IUOVLESFNPVRGB-QWHCGFSZSA-N 0 1 287.432 3.826 20 0 CHADMN Cc1cc(C)cc([C@H]2CC[N@@H+](CCC(C)(C)C(=O)[O-])C2)c1 ZINC000902436730 1126765307 /nfs/dbraw/zinc/76/53/07/1126765307.db2.gz TZUOBFLOPQEBCI-HNNXBMFYSA-N 0 1 289.419 3.594 20 0 CHADMN C[C@@H](N[C@H]1CO[C@H](C2CC2)C1)c1ccc(F)cc1Cl ZINC000668199328 1126765975 /nfs/dbraw/zinc/76/59/75/1126765975.db2.gz QJZBPBSOFTVFOV-BCQZVRRWSA-N 0 1 283.774 3.697 20 0 CHADMN Fc1ccc2c(c1)[C@H](N1CCOC3(CCCCC3)C1)CC2 ZINC000483086867 1126767058 /nfs/dbraw/zinc/76/70/58/1126767058.db2.gz IRGQVZDFPLHDFB-QGZVFWFLSA-N 0 1 289.394 3.848 20 0 CHADMN Fc1ccc(Oc2ccc(CN3CC[C@H]3C3CC3)cn2)cc1 ZINC000668209110 1126768607 /nfs/dbraw/zinc/76/86/07/1126768607.db2.gz UGNOTUKEAMJPKI-KRWDZBQOSA-N 0 1 298.361 3.997 20 0 CHADMN Cc1[nH]ncc1CNc1ccc(OC(C)(C)C)cc1 ZINC000174474413 1126770981 /nfs/dbraw/zinc/77/09/81/1126770981.db2.gz KZYMJGGYBAZZNQ-UHFFFAOYSA-N 0 1 259.353 3.508 20 0 CHADMN CC(C)Oc1ccc(CN2CC[C@H](C)[C@H](F)C2)cc1 ZINC000679223902 1126778900 /nfs/dbraw/zinc/77/89/00/1126778900.db2.gz MJIFNTSQDDZHFE-XJKSGUPXSA-N 0 1 265.372 3.654 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N2CCC(C)=C(C)C2)c(C)c1 ZINC000483388549 1126785192 /nfs/dbraw/zinc/78/51/92/1126785192.db2.gz ZVPOMMLHQCJQOF-MRXNPFEDSA-N 0 1 286.419 3.673 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2ccsc2Cl)C[C@H]1O ZINC000483319079 1126781698 /nfs/dbraw/zinc/78/16/98/1126781698.db2.gz JLNKZFAWVOBEKI-NWDGAFQWSA-N 0 1 287.856 3.630 20 0 CHADMN CCC1(CC)CCCN(Cc2cn(C(C)(C)C)nn2)CC1 ZINC000483337405 1126781911 /nfs/dbraw/zinc/78/19/11/1126781911.db2.gz HKODFDKEZQKNOF-UHFFFAOYSA-N 0 1 292.471 3.825 20 0 CHADMN CC(C)[C@@H]1N(Cc2cc3n(n2)CCC3)CC12CCCCC2 ZINC000668236540 1126782163 /nfs/dbraw/zinc/78/21/63/1126782163.db2.gz NNYFJPMFVVYIPR-KRWDZBQOSA-N 0 1 287.451 3.620 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1cnc(Cl)s1 ZINC000175459141 1126782257 /nfs/dbraw/zinc/78/22/57/1126782257.db2.gz PKGVYYNOYPPFJS-SECBINFHSA-N 0 1 278.874 3.760 20 0 CHADMN Cc1noc([C@H](C)NC[C@H](C)CC2CCCCC2)n1 ZINC000483347328 1126782747 /nfs/dbraw/zinc/78/27/47/1126782747.db2.gz UYBVPPCXHMCZIC-NEPJUHHUSA-N 0 1 265.401 3.635 20 0 CHADMN CC(C)N(Cc1cnn2c1CCC2)[C@H](C)c1ccsc1 ZINC000668244966 1126785917 /nfs/dbraw/zinc/78/59/17/1126785917.db2.gz PABYWSRLYWHACS-CYBMUJFWSA-N 0 1 289.448 3.862 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2ccc(F)cc2F)n1 ZINC000176480071 1126791254 /nfs/dbraw/zinc/79/12/54/1126791254.db2.gz DYYIHYVVFZOTAM-UHFFFAOYSA-N 0 1 283.347 3.673 20 0 CHADMN CC(C)(C)c1nc(SCc2ccc(F)cc2F)n[nH]1 ZINC000176480071 1126791256 /nfs/dbraw/zinc/79/12/56/1126791256.db2.gz DYYIHYVVFZOTAM-UHFFFAOYSA-N 0 1 283.347 3.673 20 0 CHADMN C[C@H](NCC[S@](=O)C(C)(C)C)c1ccccc1Cl ZINC000177346912 1126800871 /nfs/dbraw/zinc/80/08/71/1126800871.db2.gz PRPZXDJSRCFKRJ-VOJFVSQTSA-N 0 1 287.856 3.538 20 0 CHADMN C[C@@H](CC1CCCC1)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000483655821 1126797085 /nfs/dbraw/zinc/79/70/85/1126797085.db2.gz QAKFGDTXCSTKNZ-RYUDHWBXSA-N 0 1 279.428 3.987 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H](c2ccco2)c2ccccc2)C[N@H+]1C1CC1 ZINC000163211439 1126799877 /nfs/dbraw/zinc/79/98/77/1126799877.db2.gz JZIPKTWBHNZMKQ-OGWOLHLISA-N 0 1 296.414 3.584 20 0 CHADMN Cc1ccc2[nH]c(CN[C@H]3CCc4cc(F)ccc43)nc2c1 ZINC000483859413 1126803491 /nfs/dbraw/zinc/80/34/91/1126803491.db2.gz MDBJXHRRZPAWHZ-HNNXBMFYSA-N 0 1 295.361 3.788 20 0 CHADMN Cc1ccc2nc(CN[C@H]3CCc4cc(F)ccc43)[nH]c2c1 ZINC000483859413 1126803496 /nfs/dbraw/zinc/80/34/96/1126803496.db2.gz MDBJXHRRZPAWHZ-HNNXBMFYSA-N 0 1 295.361 3.788 20 0 CHADMN Cc1ccc2[nH]c(CN[C@H]3CCc4c3cccc4C)nc2c1 ZINC000483874018 1126805162 /nfs/dbraw/zinc/80/51/62/1126805162.db2.gz TZCZMWBNVRORFD-INIZCTEOSA-N 0 1 291.398 3.957 20 0 CHADMN Cc1ccc2nc(CN[C@H]3CCc4c3cccc4C)[nH]c2c1 ZINC000483874018 1126805164 /nfs/dbraw/zinc/80/51/64/1126805164.db2.gz TZCZMWBNVRORFD-INIZCTEOSA-N 0 1 291.398 3.957 20 0 CHADMN C[C@H](NCc1ccc(N2CCCC2)nc1)c1ccsc1 ZINC000177886041 1126806549 /nfs/dbraw/zinc/80/65/49/1126806549.db2.gz ZXEHAFDEKUUPOH-ZDUSSCGKSA-N 0 1 287.432 3.594 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@@H]2CCc3cc(F)ccc32)cn1 ZINC000178089642 1126808619 /nfs/dbraw/zinc/80/86/19/1126808619.db2.gz ZAAXRAGMTGSXIW-YVEFUNNKSA-N 0 1 287.382 3.941 20 0 CHADMN c1nc(C2CCC2)sc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000668299723 1126808632 /nfs/dbraw/zinc/80/86/32/1126808632.db2.gz QKNKEPYYKPQKEX-JSGCOSHPSA-N 0 1 262.422 3.785 20 0 CHADMN CC[C@H](CSC)N(C)Cc1cc(OC)ccc1Cl ZINC000484067521 1126809822 /nfs/dbraw/zinc/80/98/22/1126809822.db2.gz KCMPLXQWHPCUAO-GFCCVEGCSA-N 0 1 287.856 3.922 20 0 CHADMN C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1cccc(F)c1 ZINC000679545142 1130539392 /nfs/dbraw/zinc/53/93/92/1130539392.db2.gz JLLFGQVUHLPQSK-CMPLNLGQSA-N 0 1 275.289 3.989 20 0 CHADMN Fc1ccc2oc(CN3CCC(F)(F)CC3)cc2c1 ZINC000793362047 1130544473 /nfs/dbraw/zinc/54/44/73/1130544473.db2.gz OUJGHVXELYWNPN-UHFFFAOYSA-N 0 1 269.266 3.803 20 0 CHADMN CCOc1ccccc1CN[C@@H](C)c1ccc2c(c1)CCO2 ZINC000178467228 1126814241 /nfs/dbraw/zinc/81/42/41/1126814241.db2.gz ISVGZSLSSNNKEW-AWEZNQCLSA-N 0 1 297.398 3.871 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccc(NC(C)=O)cc2)o1 ZINC000178487241 1126814252 /nfs/dbraw/zinc/81/42/52/1126814252.db2.gz WKDPJCLSKWCJLE-LBPRGKRZSA-N 0 1 286.375 3.651 20 0 CHADMN C[C@@H](O)c1ccc(CN[C@@H](C)c2cc(F)ccc2F)cc1 ZINC000178544624 1126815505 /nfs/dbraw/zinc/81/55/05/1126815505.db2.gz ZGFWZKWJWDPLHF-NWDGAFQWSA-N 0 1 291.341 3.869 20 0 CHADMN CO[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000679953815 1130564930 /nfs/dbraw/zinc/56/49/30/1130564930.db2.gz SUFIOQWHLMQYBR-LLVKDONJSA-N 0 1 288.218 3.994 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000178718531 1126819077 /nfs/dbraw/zinc/81/90/77/1126819077.db2.gz PBKGLDAWFQSYNZ-BDAKNGLRSA-N 0 1 297.324 3.558 20 0 CHADMN CC(C)[C@@H]([NH2+]Cc1c[nH]cn1)c1ccc(C(F)(F)F)cc1 ZINC000178755070 1126819100 /nfs/dbraw/zinc/81/91/00/1126819100.db2.gz QURAPNHUKVJHBA-CQSZACIVSA-N 0 1 297.324 3.915 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccnc1)c1ccc(Cl)nc1 ZINC000179096429 1126822914 /nfs/dbraw/zinc/82/29/14/1126822914.db2.gz PWQOHEHVHIOLDX-WDEREUQCSA-N 0 1 261.756 3.542 20 0 CHADMN Cc1ncc(CN(C)Cc2cccc(C)c2C)s1 ZINC000179382110 1126827438 /nfs/dbraw/zinc/82/74/38/1126827438.db2.gz VFYOKMAUJMVTDK-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(-c2cncc3ccccc32)no1 ZINC000904093316 1126830202 /nfs/dbraw/zinc/83/02/02/1126830202.db2.gz RPDXERSDPUTPJK-HNNXBMFYSA-N 0 1 296.374 3.591 20 0 CHADMN Cc1cccnc1CNC(C)(C)c1cccc(F)c1 ZINC000179577887 1126830673 /nfs/dbraw/zinc/83/06/73/1126830673.db2.gz OQKMFAAMTOBRMN-UHFFFAOYSA-N 0 1 258.340 3.554 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1ccccc1F ZINC000179705386 1126832579 /nfs/dbraw/zinc/83/25/79/1126832579.db2.gz RLURPHDHXMIPBY-INIZCTEOSA-N 0 1 258.340 3.804 20 0 CHADMN CC[C@H](c1ccccc1)[C@H]1CCCN1Cc1csnn1 ZINC000179695644 1126832780 /nfs/dbraw/zinc/83/27/80/1126832780.db2.gz CVIQXQYBXGZFBC-HZPDHXFCSA-N 0 1 287.432 3.696 20 0 CHADMN CC(C)[C@H](C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179844229 1126834542 /nfs/dbraw/zinc/83/45/42/1126834542.db2.gz DXHJWKMUECCWMZ-QMMMGPOBSA-N 0 1 281.306 3.731 20 0 CHADMN O=C(C[C@@H]1C=CCC1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179841224 1126834654 /nfs/dbraw/zinc/83/46/54/1126834654.db2.gz JTJFLOCKELZOPE-SECBINFHSA-N 0 1 291.301 3.795 20 0 CHADMN CC(C)n1cc(CN2C[C@H](C)[C@H]2c2ccccc2)cn1 ZINC000180222360 1126841364 /nfs/dbraw/zinc/84/13/64/1126841364.db2.gz IXASOAYTRGPUNH-YOEHRIQHSA-N 0 1 269.392 3.657 20 0 CHADMN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1ccccc1F ZINC000180521503 1126845087 /nfs/dbraw/zinc/84/50/87/1126845087.db2.gz KCWCATWRTZJFMW-HNNXBMFYSA-N 0 1 273.355 3.503 20 0 CHADMN CC(C)c1ccc([C@H]2CCCN2Cc2ccc(N)nn2)cc1 ZINC000904326995 1126846000 /nfs/dbraw/zinc/84/60/00/1126846000.db2.gz WBUYUYBCPFJYAU-QGZVFWFLSA-N 0 1 296.418 3.519 20 0 CHADMN Cc1cc(CN(Cc2ccncc2)C2CC2)c(C)s1 ZINC000180757236 1126847972 /nfs/dbraw/zinc/84/79/72/1126847972.db2.gz GLMIOWPGZMIJHR-UHFFFAOYSA-N 0 1 272.417 3.925 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(F)cn1 ZINC000484805497 1126848610 /nfs/dbraw/zinc/84/86/10/1126848610.db2.gz AICIBXIFRRDTRY-DIFFPNOSSA-N 0 1 288.341 3.773 20 0 CHADMN CC(C)(C)Oc1ccc(CNCc2cccc(F)c2)cn1 ZINC000180888646 1126849295 /nfs/dbraw/zinc/84/92/95/1126849295.db2.gz ZQHWJTUIIPXTGY-UHFFFAOYSA-N 0 1 288.366 3.688 20 0 CHADMN C[C@@H](O)CN[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000181048446 1126850821 /nfs/dbraw/zinc/85/08/21/1126850821.db2.gz JLKUTJBSNFHDKF-BDJLRTHQSA-N 0 1 293.769 3.539 20 0 CHADMN CCCOc1ccc(CN(CCC)CCF)cc1OC ZINC000759331130 1130652165 /nfs/dbraw/zinc/65/21/65/1130652165.db2.gz ASRFYKIAGSFTKP-UHFFFAOYSA-N 0 1 283.387 3.666 20 0 CHADMN C[N@@H+](CCCCC(=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC000181538816 1126857827 /nfs/dbraw/zinc/85/78/27/1126857827.db2.gz PLQQWHPGIHFQHM-UHFFFAOYSA-N 0 1 290.190 3.680 20 0 CHADMN CCc1nc(CSC2=Nc3ccccc3CS2)n[nH]1 ZINC000181742223 1126860865 /nfs/dbraw/zinc/86/08/65/1126860865.db2.gz GLHJAURXLFWFER-UHFFFAOYSA-N 0 1 290.417 3.535 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(Cl)cn1 ZINC000182128731 1126866084 /nfs/dbraw/zinc/86/60/84/1126866084.db2.gz GVWQWSXRSSVKPI-BDJLRTHQSA-N 0 1 272.779 3.758 20 0 CHADMN CC[C@H](NCc1n[nH]c(C2CC2)n1)c1cccc(Cl)c1 ZINC000182736807 1126876838 /nfs/dbraw/zinc/87/68/38/1126876838.db2.gz SBNDKKOHXRYIEL-ZDUSSCGKSA-N 0 1 290.798 3.576 20 0 CHADMN CCc1cccnc1-c1ccc(F)c(CN(C)C)c1 ZINC000904805426 1126877157 /nfs/dbraw/zinc/87/71/57/1126877157.db2.gz AEPUPWKGGALWBY-UHFFFAOYSA-N 0 1 258.340 3.512 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@@H](C)c1cncs1)CCC2 ZINC000780746422 1130688831 /nfs/dbraw/zinc/68/88/31/1130688831.db2.gz OFQMUWUMOVUIIP-WPRPVWTQSA-N 0 1 279.434 3.636 20 0 CHADMN C[C@@H](CCc1cccc(F)c1)N(C)Cc1nccs1 ZINC000183346724 1126885593 /nfs/dbraw/zinc/88/55/93/1126885593.db2.gz XVFIIZLYKPMIQD-LBPRGKRZSA-N 0 1 278.396 3.735 20 0 CHADMN C[C@H](NCc1nc(C(C)(C)C)no1)[C@@H](C)c1ccccc1 ZINC000183352006 1126886064 /nfs/dbraw/zinc/88/60/64/1126886064.db2.gz CEMVWRSUVQXTTQ-OLZOCXBDSA-N 0 1 287.407 3.649 20 0 CHADMN CC[C@H](N[C@H]1CCCc2ccc(C)cc21)c1nccn1C ZINC000183413150 1126886977 /nfs/dbraw/zinc/88/69/77/1126886977.db2.gz LJQZGJJSKZJUBD-IRXDYDNUSA-N 0 1 283.419 3.847 20 0 CHADMN CCC[C@@H](C)NC(=O)[C@@H](C)N(CC)Cc1ccccc1C ZINC000485123792 1126888037 /nfs/dbraw/zinc/88/80/37/1126888037.db2.gz RVFSXENOTHDVCL-HZPDHXFCSA-N 0 1 290.451 3.510 20 0 CHADMN Cc1cc(N2N=C3CCCC[C@H]3C2=O)ccc1Cl ZINC000905023448 1126888080 /nfs/dbraw/zinc/88/80/80/1126888080.db2.gz JQQBMPPAGJQRQY-LLVKDONJSA-N 0 1 262.740 3.541 20 0 CHADMN Cc1cc(-n2[nH]c3c(c2=O)CCCC3)ccc1Cl ZINC000905023448 1126888081 /nfs/dbraw/zinc/88/80/81/1126888081.db2.gz JQQBMPPAGJQRQY-LLVKDONJSA-N 0 1 262.740 3.541 20 0 CHADMN Brc1ccc([C@H](NC2CC2)c2ccco2)cc1 ZINC000183660888 1126889666 /nfs/dbraw/zinc/88/96/66/1126889666.db2.gz JJSBQAUNURJMMM-AWEZNQCLSA-N 0 1 292.176 3.884 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccccn2)ccc1F ZINC000183674854 1126890908 /nfs/dbraw/zinc/89/09/08/1126890908.db2.gz VFOBNQGJWRDMRJ-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN CCN[C@@H](C)c1nc(-c2ccc3ccccc3c2)no1 ZINC000109509778 1126907447 /nfs/dbraw/zinc/90/74/47/1126907447.db2.gz ONJUUYBWCKGUCL-NSHDSACASA-N 0 1 267.332 3.560 20 0 CHADMN CCCc1cccc(CN[C@@H](C)c2ccccn2)c1 ZINC000187092495 1126908247 /nfs/dbraw/zinc/90/82/47/1126908247.db2.gz YUXGZLGLWHJSLB-AWEZNQCLSA-N 0 1 254.377 3.885 20 0 CHADMN Fc1ccc([C@@H](NCCC2CCCC2)c2ncc[nH]2)cc1 ZINC000187723182 1126913862 /nfs/dbraw/zinc/91/38/62/1126913862.db2.gz KHXUHQMBKRYUSJ-MRXNPFEDSA-N 0 1 287.382 3.808 20 0 CHADMN Cc1ccncc1-n1[nH]c(-c2ccc(Cl)cc2)cc1=O ZINC001245911660 1131238605 /nfs/dbraw/zinc/23/86/05/1131238605.db2.gz CZKWZXGPKOYCMD-UHFFFAOYSA-N 0 1 285.734 3.602 20 0 CHADMN CC(C)NCc1cn([C@@H](C)c2ccc3ccccc3c2)nn1 ZINC000905799748 1126916334 /nfs/dbraw/zinc/91/63/34/1126916334.db2.gz XFMGZBFWOWOCBD-AWEZNQCLSA-N 0 1 294.402 3.539 20 0 CHADMN CC(C)NCc1cn([C@H](C)c2ccc(C(C)C)cc2)nn1 ZINC000905808643 1126916930 /nfs/dbraw/zinc/91/69/30/1126916930.db2.gz YTEFUDPZHSDLAL-CQSZACIVSA-N 0 1 286.423 3.509 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H](c1ccccc1)C1CCC1 ZINC000187951705 1126917420 /nfs/dbraw/zinc/91/74/20/1126917420.db2.gz FVZKSTGWEXAYSK-KSSFIOAISA-N 0 1 281.403 3.977 20 0 CHADMN Cc1ccnc(N[C@@H]2CCCSCC2)c1C1CC1 ZINC000668510828 1126925075 /nfs/dbraw/zinc/92/50/75/1126925075.db2.gz BOFRXOZFYHRSDA-CYBMUJFWSA-N 0 1 262.422 3.965 20 0 CHADMN CCCC1(CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000188233546 1126921403 /nfs/dbraw/zinc/92/14/03/1126921403.db2.gz VODFKOJQWWEPQG-HNNXBMFYSA-N 0 1 287.382 3.808 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H]1c2ccccc2CC[C@@H]1C ZINC000188285583 1126922284 /nfs/dbraw/zinc/92/22/84/1126922284.db2.gz IOCLDFXJKDVAOY-QEORTHHSSA-N 0 1 281.403 3.759 20 0 CHADMN CCCO[C@@H]1CCN(Cc2cc(C)cc(Cl)c2)C1 ZINC001235530168 1130751905 /nfs/dbraw/zinc/75/19/05/1130751905.db2.gz RVLNVQFYXMDAAN-OAHLLOKOSA-N 0 1 267.800 3.649 20 0 CHADMN COCC1(C2CCC2)CN(Cc2ccc(C)cc2Cl)C1 ZINC000668515275 1126926662 /nfs/dbraw/zinc/92/66/62/1126926662.db2.gz UFQPJGMTLLXYSV-UHFFFAOYSA-N 0 1 293.838 3.897 20 0 CHADMN Cc1ncn(C)c1CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001235554013 1130755031 /nfs/dbraw/zinc/75/50/31/1130755031.db2.gz WXVGFOCAZNXSSD-LBPRGKRZSA-N 0 1 277.799 3.575 20 0 CHADMN CN(CCc1ccncc1)Cc1cc(F)ccc1Cl ZINC000189309068 1126930382 /nfs/dbraw/zinc/93/03/82/1126930382.db2.gz WCSPNPBTOCCJBW-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN Cc1cncc(CN2CCSC[C@H]2c2ccccc2)c1 ZINC000189891673 1126935878 /nfs/dbraw/zinc/93/58/78/1126935878.db2.gz LVJGCGMJCRSKHU-KRWDZBQOSA-N 0 1 284.428 3.680 20 0 CHADMN Cc1nn(C)cc1[C@H](C)Nc1cc(C)nc2ccc(F)cc21 ZINC000189597624 1126933223 /nfs/dbraw/zinc/93/32/23/1126933223.db2.gz MQYXGUMTFVCROW-NSHDSACASA-N 0 1 298.365 3.897 20 0 CHADMN Cc1cncc(CN(C)[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000189759753 1126934947 /nfs/dbraw/zinc/93/49/47/1126934947.db2.gz KWRURYJODFISAH-LBPRGKRZSA-N 0 1 276.330 3.861 20 0 CHADMN Fc1cc(Cl)ccc1-c1cnc([C@H]2CCCCN2)nc1 ZINC000906205007 1126937836 /nfs/dbraw/zinc/93/78/36/1126937836.db2.gz BAPNGLKDQWSXTD-CQSZACIVSA-N 0 1 291.757 3.751 20 0 CHADMN CC[C@@H](C)Oc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1 ZINC000190189189 1126939953 /nfs/dbraw/zinc/93/99/53/1126939953.db2.gz DXJHPMUDTFDQMQ-LLVKDONJSA-N 0 1 299.374 3.717 20 0 CHADMN COC[C@H](NCc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000485693468 1126942275 /nfs/dbraw/zinc/94/22/75/1126942275.db2.gz IINZGCJYLRFPRN-INIZCTEOSA-N 0 1 293.769 3.956 20 0 CHADMN C[C@H]1CSCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000190427982 1126942282 /nfs/dbraw/zinc/94/22/82/1126942282.db2.gz SREUKYSKFFRBSF-CYBMUJFWSA-N 0 1 288.416 3.527 20 0 CHADMN Cc1c([C@@H](C)NCc2cccc(F)c2)cnn1C(C)(C)C ZINC000191146394 1126948226 /nfs/dbraw/zinc/94/82/26/1126948226.db2.gz HDLWSGZSAQEOGR-GFCCVEGCSA-N 0 1 289.398 3.936 20 0 CHADMN C[C@@H](c1nc(Cc2ccccc2)no1)N1[C@H](C)CC[C@@H]1C ZINC000191161942 1126949176 /nfs/dbraw/zinc/94/91/76/1126949176.db2.gz DWBILEQFSXZZNV-MJBXVCDLSA-N 0 1 285.391 3.594 20 0 CHADMN Cc1c2ccccc2oc1[C@H](C)NCC1(C)OCCCO1 ZINC000190669193 1126943781 /nfs/dbraw/zinc/94/37/81/1126943781.db2.gz LBOWOZMMEMCYPE-ZDUSSCGKSA-N 0 1 289.375 3.545 20 0 CHADMN CCn1cc(CNCc2ccc(C(F)(F)F)cc2C)cn1 ZINC000190993836 1126946540 /nfs/dbraw/zinc/94/65/40/1126946540.db2.gz XQNOFWMURGZXSN-UHFFFAOYSA-N 0 1 297.324 3.520 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1CN(C)Cc1nccn1C(F)F ZINC000191049666 1126947022 /nfs/dbraw/zinc/94/70/22/1126947022.db2.gz NNPGQPNBHUFWIO-STQMWFEESA-N 0 1 283.366 3.702 20 0 CHADMN CCCC[C@H](C)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000191602522 1126953496 /nfs/dbraw/zinc/95/34/96/1126953496.db2.gz MHJAXODJXWNELA-UONOGXRCSA-N 0 1 287.407 3.890 20 0 CHADMN CO[C@H](C)[C@H](C)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000191657789 1126953817 /nfs/dbraw/zinc/95/38/17/1126953817.db2.gz AFJDJZJSCVACGI-RWMBFGLXSA-N 0 1 290.432 3.884 20 0 CHADMN CCC(C)(C)CN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000191830523 1126956084 /nfs/dbraw/zinc/95/60/84/1126956084.db2.gz SPQCFHWPGPDESU-AWEZNQCLSA-N 0 1 275.371 3.664 20 0 CHADMN COC[C@H](N[C@H]1C[C@@H]1c1cccc(F)c1)c1ccc(C)o1 ZINC000906589903 1126959306 /nfs/dbraw/zinc/95/93/06/1126959306.db2.gz ZLNDWAWPULXUCK-PMPSAXMXSA-N 0 1 289.350 3.560 20 0 CHADMN Fc1cccc([C@H]2C[C@H]2N2CCC=C(c3ccccn3)C2)c1 ZINC000906589996 1126959529 /nfs/dbraw/zinc/95/95/29/1126959529.db2.gz MEYCSWQPMSYCEQ-IEBWSBKVSA-N 0 1 294.373 3.866 20 0 CHADMN Cc1cc(=O)[nH]c([C@H](C)N[C@H](c2ccccc2)C2CCC2)n1 ZINC000192665652 1126962994 /nfs/dbraw/zinc/96/29/94/1126962994.db2.gz SHGOLDCFZVDTAE-SUMWQHHRSA-N 0 1 297.402 3.683 20 0 CHADMN CCN(c1ccc(N[C@H](C)c2ccnn2C)cc1)C(C)C ZINC000193075472 1126965609 /nfs/dbraw/zinc/96/56/09/1126965609.db2.gz DEAALGTWVFFCLB-CQSZACIVSA-N 0 1 286.423 3.828 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN[C@@H](C)c1ccnn1C ZINC000193334980 1126968297 /nfs/dbraw/zinc/96/82/97/1126968297.db2.gz QVTBTXRRIFYMLG-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN COC[C@H](N[C@H](C)c1cccnc1)c1ccc(Cl)cc1 ZINC000193948221 1126972123 /nfs/dbraw/zinc/97/21/23/1126972123.db2.gz DCUORXJHNZCOIU-WBMJQRKESA-N 0 1 290.794 3.773 20 0 CHADMN Oc1cccc(C[N@H+]2CCC[C@@H](CCF)C2)c1Cl ZINC000668593231 1126973735 /nfs/dbraw/zinc/97/37/35/1126973735.db2.gz ZQPXQIQKXSAFLD-NSHDSACASA-N 0 1 271.763 3.617 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@@H](CCF)C2)c1Cl ZINC000668593231 1126973737 /nfs/dbraw/zinc/97/37/37/1126973737.db2.gz ZQPXQIQKXSAFLD-NSHDSACASA-N 0 1 271.763 3.617 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@@H](CCF)C2)c1Cl ZINC000668593231 1126973741 /nfs/dbraw/zinc/97/37/41/1126973741.db2.gz ZQPXQIQKXSAFLD-NSHDSACASA-N 0 1 271.763 3.617 20 0 CHADMN Oc1cccc(CN2CCC[C@@H](CCF)C2)c1Cl ZINC000668593231 1126973743 /nfs/dbraw/zinc/97/37/43/1126973743.db2.gz ZQPXQIQKXSAFLD-NSHDSACASA-N 0 1 271.763 3.617 20 0 CHADMN CC(C)C1CCC(N[C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000195063113 1126978719 /nfs/dbraw/zinc/97/87/19/1126978719.db2.gz IXVVNMSNLPPPKC-PREGVCBESA-N 0 1 298.434 3.699 20 0 CHADMN CC(C)c1nnc(CN2CC[C@@H](Cc3ccccc3)[C@@H]2C)o1 ZINC000266903243 1126990234 /nfs/dbraw/zinc/99/02/34/1126990234.db2.gz ADWHGUJFWMOWBJ-HOCLYGCPSA-N 0 1 299.418 3.646 20 0 CHADMN CC[C@](C)(NCCC(F)(F)F)c1nc(C)cs1 ZINC000266622442 1126986119 /nfs/dbraw/zinc/98/61/19/1126986119.db2.gz LSSZAQAVGMZGCL-JTQLQIEISA-N 0 1 266.332 3.619 20 0 CHADMN CC[C@H](C)CN(CC)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000267063778 1126992460 /nfs/dbraw/zinc/99/24/60/1126992460.db2.gz CDWRUNKQFTXFAR-ZDUSSCGKSA-N 0 1 285.391 3.585 20 0 CHADMN CC[C@@H](NCc1ccn(C)c1)c1ccc(F)cc1F ZINC000267033958 1126992468 /nfs/dbraw/zinc/99/24/68/1126992468.db2.gz BMZVMSLWKIJNMF-OAHLLOKOSA-N 0 1 264.319 3.544 20 0 CHADMN CC1(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)CCC1 ZINC000267371659 1126998933 /nfs/dbraw/zinc/99/89/33/1126998933.db2.gz QCPYMVGQBPKVRE-AWEZNQCLSA-N 0 1 299.374 3.543 20 0 CHADMN C[C@]1(Cc2ccccc2Cl)CCCN1Cc1cocn1 ZINC000668670690 1126996816 /nfs/dbraw/zinc/99/68/16/1126996816.db2.gz KSXFCTCXPIESKW-MRXNPFEDSA-N 0 1 290.794 3.925 20 0 CHADMN CC(C)(NCc1cnc(Cl)s1)c1ccccc1 ZINC000267530375 1127001595 /nfs/dbraw/zinc/00/15/95/1127001595.db2.gz ZNIXOFIRYKOLBY-UHFFFAOYSA-N 0 1 266.797 3.821 20 0 CHADMN C[C@@H](N[C@@H](C)C1CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000267616027 1127003083 /nfs/dbraw/zinc/00/30/83/1127003083.db2.gz STCLASDXSKKDGZ-VHSXEESVSA-N 0 1 291.782 3.839 20 0 CHADMN Clc1ncccc1CN1CCS[C@H]2CCCC[C@H]21 ZINC000267741894 1127005553 /nfs/dbraw/zinc/00/55/53/1127005553.db2.gz OIQQEAUWWKAUCC-OLZOCXBDSA-N 0 1 282.840 3.595 20 0 CHADMN C[C@H](c1ccco1)N(C[C@@H](O)c1ccccc1F)C1CC1 ZINC000267906148 1127008195 /nfs/dbraw/zinc/00/81/95/1127008195.db2.gz AWMYBMXSUMCGDH-MLGOLLRUSA-N 0 1 289.350 3.678 20 0 CHADMN c1cc(C2CCN(Cc3cc4ccccc4[nH]3)CC2)no1 ZINC000668718507 1127011716 /nfs/dbraw/zinc/01/17/16/1127011716.db2.gz OPZXNRJMWSJUEP-UHFFFAOYSA-N 0 1 281.359 3.536 20 0 CHADMN CCc1noc(C)c1CN(C)[C@@H](C)c1ccccc1 ZINC000268113563 1127012563 /nfs/dbraw/zinc/01/25/63/1127012563.db2.gz DBOMTFKRUZAACO-LBPRGKRZSA-N 0 1 258.365 3.738 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCC(c3ccon3)CC2)o1 ZINC000668713986 1127013063 /nfs/dbraw/zinc/01/30/63/1127013063.db2.gz GTYZGNMLYPXGIO-DOMZBBRYSA-N 0 1 286.375 3.771 20 0 CHADMN CC(C)c1cccc(N(C)C(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000268165479 1127013689 /nfs/dbraw/zinc/01/36/89/1127013689.db2.gz QYGJBCKRHWEPFO-HNNXBMFYSA-N 0 1 297.402 3.616 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)o1 ZINC000268447616 1127017884 /nfs/dbraw/zinc/01/78/84/1127017884.db2.gz FLBPJNHMIBJKSZ-LBPRGKRZSA-N 0 1 298.386 3.578 20 0 CHADMN Cc1cc(C[N@@H+](Cc2ccccc2)C(C)(C)C)on1 ZINC000268502802 1127018153 /nfs/dbraw/zinc/01/81/53/1127018153.db2.gz SYAMNYKUOURKHZ-UHFFFAOYSA-N 0 1 258.365 3.784 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccn1)c1ccc2c(c1)COC2 ZINC000268693687 1127020637 /nfs/dbraw/zinc/02/06/37/1127020637.db2.gz ACEBYCNEDLAYDT-CHWSQXEVSA-N 0 1 268.360 3.524 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H](C)c1cnn(C(C)C)c1 ZINC000268709240 1127021015 /nfs/dbraw/zinc/02/10/15/1127021015.db2.gz FZFYMLDGMQQIOX-KGLIPLIRSA-N 0 1 287.407 3.884 20 0 CHADMN CC(F)(F)CCNCc1nc(-c2ccccc2)cs1 ZINC000294233363 1129214124 /nfs/dbraw/zinc/21/41/24/1129214124.db2.gz OKIFIDWVWOCKEV-UHFFFAOYSA-N 0 1 282.359 3.945 20 0 CHADMN c1[nH]nc2c1CCC[C@@H]2NCc1ccc2ccccc2c1 ZINC000268817126 1127025266 /nfs/dbraw/zinc/02/52/66/1127025266.db2.gz GMRRHDHLOUEFHS-KRWDZBQOSA-N 0 1 277.371 3.730 20 0 CHADMN Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000268839883 1127026119 /nfs/dbraw/zinc/02/61/19/1127026119.db2.gz VIFUBIYOXWXHHB-CQSZACIVSA-N 0 1 295.386 3.802 20 0 CHADMN Cc1ccc2nc(CN[C@@H]3c4ccccc4C[C@H]3C)cn2c1 ZINC000268843824 1127026261 /nfs/dbraw/zinc/02/62/61/1127026261.db2.gz FVSLFHRVXQFNCF-KUHUBIRLSA-N 0 1 291.398 3.666 20 0 CHADMN C[C@@H](NC[C@@H](O)C(F)(F)F)c1ccc(-c2ccccc2)o1 ZINC000268858209 1127026605 /nfs/dbraw/zinc/02/66/05/1127026605.db2.gz RLTZQLWSXXIRKC-QMTHXVAHSA-N 0 1 299.292 3.520 20 0 CHADMN Cc1c(CN(C)[C@H](C)c2cccc(Cl)c2)cnn1C ZINC000268873837 1127026680 /nfs/dbraw/zinc/02/66/80/1127026680.db2.gz GPNAYVOIDRWTSJ-LLVKDONJSA-N 0 1 277.799 3.575 20 0 CHADMN Cc1ccn2cc(CN[C@@H](C)c3cccc(C)c3)nc2c1 ZINC000268960430 1127029665 /nfs/dbraw/zinc/02/96/65/1127029665.db2.gz ZYPLMAPFXXHQMT-HNNXBMFYSA-N 0 1 279.387 3.802 20 0 CHADMN C(=C\c1ccncc1)\CNCc1ncoc1-c1ccccc1 ZINC000487331054 1127033678 /nfs/dbraw/zinc/03/36/78/1127033678.db2.gz HDOSOZFYCLJJTM-PLNGDYQASA-N 0 1 291.354 3.540 20 0 CHADMN Cc1ccc([C@@H](O)CN[C@@H](C)c2ccc(F)cc2Cl)o1 ZINC000269072972 1127034533 /nfs/dbraw/zinc/03/45/33/1127034533.db2.gz XQSDCFRHAKUKSN-HZMBPMFUSA-N 0 1 297.757 3.765 20 0 CHADMN C[C@@H](NCc1cc(COC(C)(C)C)on1)[C@@H]1CC1(C)C ZINC000487547876 1127034999 /nfs/dbraw/zinc/03/49/99/1127034999.db2.gz ANEJYKFPVQBQMQ-RISCZKNCSA-N 0 1 280.412 3.514 20 0 CHADMN C[C@H]1C[C@H]1C(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1 ZINC000909708132 1127035053 /nfs/dbraw/zinc/03/50/53/1127035053.db2.gz GCAUHOFIMOJQET-TVQRCGJNSA-N 0 1 299.349 3.688 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccccc1)c1ccc(F)cc1F ZINC000268984237 1127030794 /nfs/dbraw/zinc/03/07/94/1127030794.db2.gz LCUFSSSWFJUMIQ-SJKOYZFVSA-N 0 1 291.341 3.739 20 0 CHADMN OC[C@@H](CNc1ccnc2cc(F)ccc21)c1ccccc1 ZINC000487662167 1127039210 /nfs/dbraw/zinc/03/92/10/1127039210.db2.gz QHUDIVCYUWCUSS-CQSZACIVSA-N 0 1 296.345 3.562 20 0 CHADMN Cc1nc([C@@H](C)N[C@H](C)COc2cccc(F)c2)cs1 ZINC000269423309 1127039615 /nfs/dbraw/zinc/03/96/15/1127039615.db2.gz MMSGXMFKGSTCAO-GHMZBOCLSA-N 0 1 294.395 3.709 20 0 CHADMN COc1cccc(C=C2CCN(Cc3ccncc3)CC2)c1 ZINC000269591248 1127042721 /nfs/dbraw/zinc/04/27/21/1127042721.db2.gz IERWTSWBGWLHPA-UHFFFAOYSA-N 0 1 294.398 3.770 20 0 CHADMN CCCOc1ccc(CNCc2ccoc2C)cc1OC ZINC000067217897 1127044017 /nfs/dbraw/zinc/04/40/17/1127044017.db2.gz JJLZLGRLCGYHTD-UHFFFAOYSA-N 0 1 289.375 3.675 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CC[C@@H](C(C)C)C3)n[nH]2)cc1 ZINC000487864903 1127045059 /nfs/dbraw/zinc/04/50/59/1127045059.db2.gz CALHUIWKAWVJEZ-OAHLLOKOSA-N 0 1 297.402 3.503 20 0 CHADMN C[C@H](NCc1cccc(OC2CCCC2)c1)c1cn[nH]c1 ZINC000270205891 1127051310 /nfs/dbraw/zinc/05/13/10/1127051310.db2.gz NERXSCLGZCYOES-ZDUSSCGKSA-N 0 1 285.391 3.582 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)C[C@H](O)c2cccs2)cs1 ZINC000270631599 1127058533 /nfs/dbraw/zinc/05/85/33/1127058533.db2.gz MINOHOWZHWRDIV-KWBADKCTSA-N 0 1 296.461 3.676 20 0 CHADMN C[C@@H](NCc1ccnc(N)c1)c1cc(Cl)ccc1Cl ZINC000488167729 1127060349 /nfs/dbraw/zinc/06/03/49/1127060349.db2.gz KQTXNEFHCRXOMX-SECBINFHSA-N 0 1 296.201 3.652 20 0 CHADMN CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)c1cccnc1 ZINC000270693935 1127061290 /nfs/dbraw/zinc/06/12/90/1127061290.db2.gz YQTPVDKEYROPAL-ZDUSSCGKSA-N 0 1 258.340 3.804 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc3cc[nH]c32)o1 ZINC000271001380 1127064170 /nfs/dbraw/zinc/06/41/70/1127064170.db2.gz KYRZLPPKHJAXHT-UHFFFAOYSA-N 0 1 254.333 3.701 20 0 CHADMN C[C@@H]1c2cccn2CCN1Cc1cccc2cc[nH]c21 ZINC000270995893 1127064939 /nfs/dbraw/zinc/06/49/39/1127064939.db2.gz JNUUACQSUDYXAS-CYBMUJFWSA-N 0 1 265.360 3.546 20 0 CHADMN Cc1ccc(C)c(CSCc2n[nH]c(C(C)C)n2)c1 ZINC000488235810 1127065504 /nfs/dbraw/zinc/06/55/04/1127065504.db2.gz VOLHTZOVZYFNGB-UHFFFAOYSA-N 0 1 275.421 3.978 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1cnc(N(C)C)s1 ZINC000271031270 1127065568 /nfs/dbraw/zinc/06/55/68/1127065568.db2.gz HIWWCHXKDIUIQQ-NSHDSACASA-N 0 1 293.411 3.541 20 0 CHADMN Cc1nc(CSc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000488245731 1127066780 /nfs/dbraw/zinc/06/67/80/1127066780.db2.gz GUMKGCLAGQTGAY-UHFFFAOYSA-N 0 1 274.176 3.712 20 0 CHADMN Cc1nc(CSCc2ccc(C(C)C)cc2)n[nH]1 ZINC000488268426 1127067459 /nfs/dbraw/zinc/06/74/59/1127067459.db2.gz WSPXFDANJRQGDY-UHFFFAOYSA-N 0 1 261.394 3.670 20 0 CHADMN C[C@H](COc1ccc(F)cc1F)N[C@H](C)c1cscn1 ZINC000271106575 1127068208 /nfs/dbraw/zinc/06/82/08/1127068208.db2.gz GHFHWSSQKIFAHH-NXEZZACHSA-N 0 1 298.358 3.539 20 0 CHADMN Cc1n[nH]c(C)c1CN1CCC[C@H]1c1cccc(F)c1 ZINC000271088237 1127068328 /nfs/dbraw/zinc/06/83/28/1127068328.db2.gz UTCPELDCXAYRJC-INIZCTEOSA-N 0 1 273.355 3.503 20 0 CHADMN c1ccc(-c2cccc(C[N@H+]3CCO[C@H]4CCC[C@@H]43)c2)nc1 ZINC000271129221 1127069277 /nfs/dbraw/zinc/06/92/77/1127069277.db2.gz OPPXUTKNSFDBKE-OALUTQOASA-N 0 1 294.398 3.502 20 0 CHADMN c1ccc(-c2cccc(CN3CCO[C@H]4CCC[C@@H]43)c2)nc1 ZINC000271129221 1127069282 /nfs/dbraw/zinc/06/92/82/1127069282.db2.gz OPPXUTKNSFDBKE-OALUTQOASA-N 0 1 294.398 3.502 20 0 CHADMN Cc1cccc(OC[C@H](C)N[C@H](C)c2cscn2)c1 ZINC000271119722 1127070150 /nfs/dbraw/zinc/07/01/50/1127070150.db2.gz JCIPVZWJCUGZRO-QWHCGFSZSA-N 0 1 276.405 3.570 20 0 CHADMN CCCc1ccc(C(=O)Nc2c(C)n[nH]c2C(F)F)cc1 ZINC000271237531 1127073560 /nfs/dbraw/zinc/07/35/60/1127073560.db2.gz CYBCSRBWTKFKFZ-UHFFFAOYSA-N 0 1 293.317 3.861 20 0 CHADMN Cc1nnc(CN2C[C@H](c3ccccc3C)C[C@@H]2C)s1 ZINC000271422621 1127079584 /nfs/dbraw/zinc/07/95/84/1127079584.db2.gz MLWQIOWVEBEUEK-GXTWGEPZSA-N 0 1 287.432 3.533 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](CC)c2cccc(Cl)c2)n[nH]1 ZINC000271422103 1127080008 /nfs/dbraw/zinc/08/00/08/1127080008.db2.gz BZDADOCKYMRRAB-ZWNOBZJWSA-N 0 1 292.814 3.822 20 0 CHADMN CC[C@@H](NCc1cc(C)ncn1)c1cccc(Cl)c1 ZINC000271417860 1127080034 /nfs/dbraw/zinc/08/00/34/1127080034.db2.gz BKTCSTMGNLPEQZ-OAHLLOKOSA-N 0 1 275.783 3.679 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@H](C)c2ccc(Cl)cc2)n[nH]1 ZINC000271434682 1127080348 /nfs/dbraw/zinc/08/03/48/1127080348.db2.gz DRBHLLDXMRIQMV-GHMZBOCLSA-N 0 1 292.814 3.993 20 0 CHADMN CCC[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(OC)cc1 ZINC000271429402 1127080546 /nfs/dbraw/zinc/08/05/46/1127080546.db2.gz AXGKPIJKSGCHIT-IRXDYDNUSA-N 0 1 299.418 3.927 20 0 CHADMN C[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(Cl)s1 ZINC000271425998 1127081008 /nfs/dbraw/zinc/08/10/08/1127081008.db2.gz AGEFDRVQQGQNKL-WPRPVWTQSA-N 0 1 281.812 3.853 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H]2CCCc3sccc32)n[nH]1 ZINC000271438091 1127081442 /nfs/dbraw/zinc/08/14/42/1127081442.db2.gz DWVLBBBLUWOQFO-JQWIXIFHSA-N 0 1 290.436 3.718 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(OC)cc1 ZINC000271446036 1127082091 /nfs/dbraw/zinc/08/20/91/1127082091.db2.gz CYJOSKOHLBQNMP-JKSUJKDBSA-N 0 1 285.391 3.537 20 0 CHADMN c1cc2c(s1)CCC[C@H]2N[C@@H]1CCCc2c[nH]nc21 ZINC000271457343 1127083635 /nfs/dbraw/zinc/08/36/35/1127083635.db2.gz FNIVIRHWGMXDJA-CHWSQXEVSA-N 0 1 273.405 3.516 20 0 CHADMN Cc1ncc([C@@H](C)NCc2coc3ccccc23)c(C)n1 ZINC000271462427 1127083983 /nfs/dbraw/zinc/08/39/83/1127083983.db2.gz KIGFEEZVFKZWQG-LLVKDONJSA-N 0 1 281.359 3.690 20 0 CHADMN c1cc2c(s1)CCC[C@@H]2N[C@H]1CCCc2c[nH]nc21 ZINC000271457355 1127083993 /nfs/dbraw/zinc/08/39/93/1127083993.db2.gz FNIVIRHWGMXDJA-STQMWFEESA-N 0 1 273.405 3.516 20 0 CHADMN COc1cc(CN2CCC(C)(C)CC2)c(F)cc1F ZINC001236823984 1131013911 /nfs/dbraw/zinc/01/39/11/1131013911.db2.gz LVHGOOIAFYLQOS-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN Cc1cc([C@H](N[C@@H](C)c2cnccn2)C2CC2)ccc1F ZINC000271502319 1127087729 /nfs/dbraw/zinc/08/77/29/1127087729.db2.gz MFSQZUBTUZWJFZ-YVEFUNNKSA-N 0 1 285.366 3.726 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1n[nH]c(CC)n1)c1ccccc1 ZINC000271497676 1127086614 /nfs/dbraw/zinc/08/66/14/1127086614.db2.gz LSHLIAZSTGKEIC-GXTWGEPZSA-N 0 1 272.396 3.559 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1noc(-c2ccsc2)n1 ZINC000271500361 1127087069 /nfs/dbraw/zinc/08/70/69/1127087069.db2.gz IZYKICBMWYMOBE-ZYHUDNBSSA-N 0 1 277.393 3.561 20 0 CHADMN CCc1cccc2c1OCC[C@H]2N[C@@H](C)c1cnn(CC)c1 ZINC000271507597 1127087961 /nfs/dbraw/zinc/08/79/61/1127087961.db2.gz RUCDKQCBYYCIOU-SUMWQHHRSA-N 0 1 299.418 3.640 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H]1CCOc2ccc(F)cc21 ZINC000271515024 1127088824 /nfs/dbraw/zinc/08/88/24/1127088824.db2.gz IOIDKUMFRMRBTR-MLGOLLRUSA-N 0 1 286.350 3.704 20 0 CHADMN CCCc1ccc([C@H](C)N[C@@H](C)c2n[nH]c(CC)n2)cc1 ZINC000271534207 1127089464 /nfs/dbraw/zinc/08/94/64/1127089464.db2.gz QAWMXVOXUATEJV-STQMWFEESA-N 0 1 286.423 3.731 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000271530475 1127089889 /nfs/dbraw/zinc/08/98/89/1127089889.db2.gz QUVLKQSSMGEWBB-HUUCEWRRSA-N 0 1 255.365 3.528 20 0 CHADMN COCCN(Cc1ncccc1C)[C@H](C)c1ccccc1 ZINC000271534004 1127090187 /nfs/dbraw/zinc/09/01/87/1127090187.db2.gz OOEIPNSDVDGMBS-MRXNPFEDSA-N 0 1 284.403 3.600 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H](C)c2ccc3c(c2)CCC3)n[nH]1 ZINC000271550802 1127090709 /nfs/dbraw/zinc/09/07/09/1127090709.db2.gz RZFVEFNCPVWQDT-STQMWFEESA-N 0 1 298.434 3.829 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H](C)c2cc(F)cc(F)c2)n[nH]1 ZINC000271553271 1127090891 /nfs/dbraw/zinc/09/08/91/1127090891.db2.gz SIDQUZCNTKPGCV-UWVGGRQHSA-N 0 1 294.349 3.618 20 0 CHADMN CCn1cc(CN[C@@H]2CCCOc3c(C)cc(C)cc32)cn1 ZINC000271558039 1127091639 /nfs/dbraw/zinc/09/16/39/1127091639.db2.gz XDBOETKXGYBYPN-QGZVFWFLSA-N 0 1 299.418 3.523 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1cccc2c1OCO2 ZINC000924844126 1127092607 /nfs/dbraw/zinc/09/26/07/1127092607.db2.gz QUOMXXGGNREFCM-BDJLRTHQSA-N 0 1 299.345 3.893 20 0 CHADMN CC[C@H](N[C@H](C)c1cn[nH]c1)c1cc(C)ccc1OC ZINC000271599087 1127093779 /nfs/dbraw/zinc/09/37/79/1127093779.db2.gz ZHPMAJWYJICWCP-DOMZBBRYSA-N 0 1 273.380 3.529 20 0 CHADMN CC[C@@H](NCc1ccc(C(C)C)cc1)c1nccn1C ZINC000271658682 1127095548 /nfs/dbraw/zinc/09/55/48/1127095548.db2.gz CUEAZFRBQIVDRA-MRXNPFEDSA-N 0 1 271.408 3.784 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN1CCN[C@H](C(F)(F)F)C1 ZINC001236981052 1131032524 /nfs/dbraw/zinc/03/25/24/1131032524.db2.gz KSRRGADWNVNGII-KGLIPLIRSA-N 0 1 292.389 3.595 20 0 CHADMN CC[C@@H](NCc1cc2ccccc2s1)c1nccn1C ZINC000271675443 1127096909 /nfs/dbraw/zinc/09/69/09/1127096909.db2.gz HFWXGOKNSXHCPQ-CQSZACIVSA-N 0 1 285.416 3.876 20 0 CHADMN CN(Cc1cccc2nc[nH]c21)[C@H](C1CCC1)C(F)(F)F ZINC001142693104 1127104549 /nfs/dbraw/zinc/10/45/49/1127104549.db2.gz UKEWPOGSXCQULB-CQSZACIVSA-N 0 1 297.324 3.726 20 0 CHADMN CC1(C)CC[C@@H]1NCc1ncc(-c2ccccc2)o1 ZINC000570462059 1127104596 /nfs/dbraw/zinc/10/45/96/1127104596.db2.gz YYLRDNQSFNIOOC-AWEZNQCLSA-N 0 1 256.349 3.620 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(F)cc2C)nc1 ZINC000339133994 1127115291 /nfs/dbraw/zinc/11/52/91/1127115291.db2.gz MZULJILFUGKTID-UHFFFAOYSA-N 0 1 272.367 3.724 20 0 CHADMN CC/C=C\CCN1CCCC[C@@H]1c1nccn1CC ZINC000339149427 1127115894 /nfs/dbraw/zinc/11/58/94/1127115894.db2.gz IPSSZZMUQUYFLB-IYKSTZQJSA-N 0 1 261.413 3.786 20 0 CHADMN Cc1cccc(C2(NCc3ncccc3C)CCC2)c1 ZINC000646021938 1127116559 /nfs/dbraw/zinc/11/65/59/1127116559.db2.gz NMGPGSGKQNWDCQ-UHFFFAOYSA-N 0 1 266.388 3.867 20 0 CHADMN COCC[C@H](N[C@H](C)c1cncc(C)c1)c1ccc(C)o1 ZINC000274390733 1127116905 /nfs/dbraw/zinc/11/69/05/1127116905.db2.gz OGTZBGZRCLGQFB-ZBFHGGJFSA-N 0 1 288.391 3.720 20 0 CHADMN Fc1cccc(CN2CCC3(CCOCC3)CC2)c1Cl ZINC000339174579 1127117657 /nfs/dbraw/zinc/11/76/57/1127117657.db2.gz OAXGHLFMRASSGY-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H]1CCc2c1cccc2O ZINC000274421785 1127118875 /nfs/dbraw/zinc/11/88/75/1127118875.db2.gz HKGQLBSVPGUPLR-GXFFZTMASA-N 0 1 289.400 3.800 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@H](CCO)c1ccccc1 ZINC000274421873 1127118995 /nfs/dbraw/zinc/11/89/95/1127118995.db2.gz HMXVQBTVHUZNAA-TZMCWYRMSA-N 0 1 291.416 3.531 20 0 CHADMN COc1ccc(CN[C@@H](c2cccc(C)c2)C(C)(C)C)nn1 ZINC000283175962 1127125426 /nfs/dbraw/zinc/12/54/26/1127125426.db2.gz PVCAHAPRHSORFT-KRWDZBQOSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1noc([C@@H]2CCCCN2C[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000348836987 1127130376 /nfs/dbraw/zinc/13/03/76/1127130376.db2.gz ZAGFYCIVLWVVBN-BBWFWOEESA-N 0 1 297.402 3.709 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cc(O)cc(F)c2)cc1 ZINC000924857300 1127131609 /nfs/dbraw/zinc/13/16/09/1127131609.db2.gz GURFIQMOTFXCEC-NEPJUHHUSA-N 0 1 289.350 3.952 20 0 CHADMN Cn1ccc(CN2CCC(=Cc3cccc(F)c3)CC2)c1 ZINC000349072459 1127138818 /nfs/dbraw/zinc/13/88/18/1127138818.db2.gz IQZPQUOWMNHJEW-UHFFFAOYSA-N 0 1 284.378 3.844 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC3(CCCC3)CC2)c1 ZINC000348955919 1127135714 /nfs/dbraw/zinc/13/57/14/1127135714.db2.gz DKLYCKJTTSHNGO-UHFFFAOYSA-N 0 1 297.402 3.668 20 0 CHADMN C[N@H+](Cc1sc(=O)[nH]c1Cl)CC1CCCCC1 ZINC001237166028 1131063311 /nfs/dbraw/zinc/06/33/11/1131063311.db2.gz RXQILSZBLIGTIJ-UHFFFAOYSA-N 0 1 274.817 3.514 20 0 CHADMN C[N@@H+](Cc1sc(=O)[n-]c1Cl)CC1CCCCC1 ZINC001237166028 1131063317 /nfs/dbraw/zinc/06/33/17/1131063317.db2.gz RXQILSZBLIGTIJ-UHFFFAOYSA-N 0 1 274.817 3.514 20 0 CHADMN C[N@H+](Cc1sc(=O)[n-]c1Cl)CC1CCCCC1 ZINC001237166028 1131063324 /nfs/dbraw/zinc/06/33/24/1131063324.db2.gz RXQILSZBLIGTIJ-UHFFFAOYSA-N 0 1 274.817 3.514 20 0 CHADMN C[C@H](NCCCSCc1ccccc1)c1ccon1 ZINC000349237459 1127144079 /nfs/dbraw/zinc/14/40/79/1127144079.db2.gz IVNLTGCSRFMTBS-ZDUSSCGKSA-N 0 1 276.405 3.649 20 0 CHADMN Fc1ccc(/C=C\CN(Cc2ccccn2)C2CC2)cc1 ZINC000349284913 1127146484 /nfs/dbraw/zinc/14/64/84/1127146484.db2.gz SJKUWEVQWIEBHW-ARJAWSKDSA-N 0 1 282.362 3.899 20 0 CHADMN Cn1ccc([C@@H](NCC2(C)CC2)c2ccc(Cl)cc2)n1 ZINC000349521617 1127152938 /nfs/dbraw/zinc/15/29/38/1127152938.db2.gz SUPRSUZPCCHAAJ-HNNXBMFYSA-N 0 1 289.810 3.553 20 0 CHADMN CC(C)n1ccc(CN[C@H](C)c2cc3c(s2)CCC3)n1 ZINC000570993919 1127153769 /nfs/dbraw/zinc/15/37/69/1127153769.db2.gz HBOHXKRBCIHNJE-GFCCVEGCSA-N 0 1 289.448 3.865 20 0 CHADMN Cc1ncc(CNCc2cc3c(ccc(C)c3C)[nH]2)s1 ZINC000349568526 1127154205 /nfs/dbraw/zinc/15/42/05/1127154205.db2.gz MEKYXOUAOAETEA-UHFFFAOYSA-N 0 1 285.416 3.839 20 0 CHADMN OC[C@H](NCc1ccc2ccccc2c1)c1ccsc1 ZINC000349562826 1127154426 /nfs/dbraw/zinc/15/44/26/1127154426.db2.gz FYZFEQBMSPJRKW-KRWDZBQOSA-N 0 1 283.396 3.725 20 0 CHADMN CCc1ccc(CN(CC)Cc2ccc3c(c2)OCO3)o1 ZINC000349561296 1127154825 /nfs/dbraw/zinc/15/48/25/1127154825.db2.gz HOLLQSWXQGRSKJ-UHFFFAOYSA-N 0 1 287.359 3.593 20 0 CHADMN CC[C@@H](NCc1ccc2[nH]c(C)c(C)c2c1)c1ccn(C)n1 ZINC000349456977 1127151533 /nfs/dbraw/zinc/15/15/33/1127151533.db2.gz SDLQSKJTKDCBOR-MRXNPFEDSA-N 0 1 296.418 3.759 20 0 CHADMN Cc1ccc(Cl)c(C[N@H+]2CCCC[C@@H](O)C2)c1Cl ZINC001237334453 1131087310 /nfs/dbraw/zinc/08/73/10/1131087310.db2.gz PSGOWNHDDLPCOE-LLVKDONJSA-N 0 1 288.218 3.649 20 0 CHADMN Cc1ccc(Cl)c(CN2CCCC[C@@H](O)C2)c1Cl ZINC001237334453 1131087314 /nfs/dbraw/zinc/08/73/14/1131087314.db2.gz PSGOWNHDDLPCOE-LLVKDONJSA-N 0 1 288.218 3.649 20 0 CHADMN Cc1ccccc1C1(CNCc2ncc(Cl)s2)CC1 ZINC000349646481 1127156579 /nfs/dbraw/zinc/15/65/79/1127156579.db2.gz PYUAWMRSQSWOID-UHFFFAOYSA-N 0 1 292.835 3.926 20 0 CHADMN CC(C)c1nnc(CN2CC[C@H]([C@@H]3CCCC3(C)C)C2)o1 ZINC000646049270 1127158669 /nfs/dbraw/zinc/15/86/69/1127158669.db2.gz BVZFXSAPXOTRGY-KBPBESRZSA-N 0 1 291.439 3.841 20 0 CHADMN Cc1c(CN(C)[C@H](C)c2cc3ccccc3o2)cnn1C ZINC000349789450 1127160793 /nfs/dbraw/zinc/16/07/93/1127160793.db2.gz CHPVCMIITZKPJT-CYBMUJFWSA-N 0 1 283.375 3.668 20 0 CHADMN Cc1ccc(-c2ncc(CNC(C)(C)CF)s2)o1 ZINC000349802735 1127162251 /nfs/dbraw/zinc/16/22/51/1127162251.db2.gz OQDACMBTZBNWID-UHFFFAOYSA-N 0 1 268.357 3.549 20 0 CHADMN CC[C@H]1CCCN(C(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC000283901908 1127163306 /nfs/dbraw/zinc/16/33/06/1127163306.db2.gz JDCBSAQPJRDXNN-ZDUSSCGKSA-N 0 1 285.391 3.524 20 0 CHADMN CCO[C@@H](CC)c1noc(-c2ccc(Cl)cc2O)n1 ZINC000157368823 1127164284 /nfs/dbraw/zinc/16/42/84/1127164284.db2.gz OVXBBHQHZVTUFT-NSHDSACASA-N 0 1 282.727 3.583 20 0 CHADMN CSc1ccccc1C[C@H](C)N[C@@H](C)c1ccon1 ZINC000349855412 1127164511 /nfs/dbraw/zinc/16/45/11/1127164511.db2.gz BIBYLMUHJYDGNO-RYUDHWBXSA-N 0 1 276.405 3.678 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN(Cc2ccn(C)c2)C2CC2)o1 ZINC000349916472 1127167692 /nfs/dbraw/zinc/16/76/92/1127167692.db2.gz SOXWVPLMJWHBSX-DYVFJYSZSA-N 0 1 284.403 3.906 20 0 CHADMN Fc1ccc([C@H]2CCCN2Cc2ccccn2)cc1 ZINC000349962750 1127168971 /nfs/dbraw/zinc/16/89/71/1127168971.db2.gz HIZJNLIGEPRBND-MRXNPFEDSA-N 0 1 256.324 3.558 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cccc3c2OCO3)cc1 ZINC000924858642 1127171372 /nfs/dbraw/zinc/17/13/72/1127171372.db2.gz PDLXDJUAQAWGRX-OLZOCXBDSA-N 0 1 299.370 3.836 20 0 CHADMN C[C@@H]1c2ccsc2CCN1Cc1ccc2c[nH]nc2c1 ZINC000350037796 1127171344 /nfs/dbraw/zinc/17/13/44/1127171344.db2.gz UFPWGCRHPOPZIS-LLVKDONJSA-N 0 1 283.400 3.744 20 0 CHADMN CCc1cccc(NC(=O)c2cc(C)cc3cn[nH]c32)c1 ZINC000588078516 1127173493 /nfs/dbraw/zinc/17/34/93/1127173493.db2.gz NQSTVPLGHRPALO-UHFFFAOYSA-N 0 1 279.343 3.686 20 0 CHADMN Clc1ccc(CCCCNCc2cocn2)s1 ZINC000284109255 1127174152 /nfs/dbraw/zinc/17/41/52/1127174152.db2.gz WSSMCSFEGQVHJH-UHFFFAOYSA-N 0 1 270.785 3.502 20 0 CHADMN COc1ccc(CN(C)c2ccnc(C)c2Cl)cc1 ZINC000350259117 1127176173 /nfs/dbraw/zinc/17/61/73/1127176173.db2.gz YHFYVIGMEYZZBS-UHFFFAOYSA-N 0 1 276.767 3.688 20 0 CHADMN Oc1cccc(CNC2(c3ccc(F)cc3)CCC2)c1 ZINC000588179167 1127181507 /nfs/dbraw/zinc/18/15/07/1127181507.db2.gz HZCWGKSAIFYVSB-UHFFFAOYSA-N 0 1 271.335 3.700 20 0 CHADMN C[C@@H]1CN(Cc2ccc(N(C)c3ccccc3)nc2)[C@@H]1C ZINC000816646888 1131119116 /nfs/dbraw/zinc/11/91/16/1131119116.db2.gz KENKKWJHZBRJDJ-HUUCEWRRSA-N 0 1 281.403 3.690 20 0 CHADMN CC(C)(C)c1ncc(CNC2(c3ccccc3)CC2)cn1 ZINC000284428672 1127183017 /nfs/dbraw/zinc/18/30/17/1127183017.db2.gz RTFOFUGXBIEXJS-UHFFFAOYSA-N 0 1 281.403 3.553 20 0 CHADMN CC(C)N(Cc1nc2ccc(Cl)cc2n1C)C1CC1 ZINC000350974033 1127183051 /nfs/dbraw/zinc/18/30/51/1127183051.db2.gz XRQBELYESWFTBI-UHFFFAOYSA-N 0 1 277.799 3.600 20 0 CHADMN COc1ccccc1[C@@H](N[C@H]1CCC1(C)C)c1ccccn1 ZINC000284511142 1127187401 /nfs/dbraw/zinc/18/74/01/1127187401.db2.gz WCKSWERMEOYZON-ZWKOTPCHSA-N 0 1 296.414 3.958 20 0 CHADMN Cc1ccccc1Cc1nnc(CN2C[C@@H](C)CC2(C)C)o1 ZINC000351328197 1127187849 /nfs/dbraw/zinc/18/78/49/1127187849.db2.gz MYNWEKMDDPHPBZ-ZDUSSCGKSA-N 0 1 299.418 3.589 20 0 CHADMN CC(C)c1ccccc1N(C)C(=O)c1cccc(F)c1O ZINC001274819329 1127189820 /nfs/dbraw/zinc/18/98/20/1127189820.db2.gz HFTSIXANVVGLKN-UHFFFAOYSA-N 0 1 287.334 3.931 20 0 CHADMN Cc1ccc(CNc2nccn2CC(C)C)cc1F ZINC000351550504 1127193185 /nfs/dbraw/zinc/19/31/85/1127193185.db2.gz MASCZEZNGMKTTQ-UHFFFAOYSA-N 0 1 261.344 3.599 20 0 CHADMN CCc1ccc(CNc2nccn2Cc2ccccc2)cn1 ZINC000351551338 1127193480 /nfs/dbraw/zinc/19/34/80/1127193480.db2.gz VORHGCOGIDPURQ-UHFFFAOYSA-N 0 1 292.386 3.501 20 0 CHADMN Cc1ccnc(NCCc2cn(C)c3cc(F)ccc23)c1 ZINC000351568241 1127194212 /nfs/dbraw/zinc/19/42/12/1127194212.db2.gz NZQYIRXSTAMADJ-UHFFFAOYSA-N 0 1 283.350 3.675 20 0 CHADMN Clc1cnc(CNc2nccn2-c2ccccc2)s1 ZINC000351566393 1127194506 /nfs/dbraw/zinc/19/45/06/1127194506.db2.gz CNRLVCIVBPHNAJ-UHFFFAOYSA-N 0 1 290.779 3.594 20 0 CHADMN COCCN(Cc1cccnc1C)[C@@H](C)c1ccccc1 ZINC000351582715 1127195008 /nfs/dbraw/zinc/19/50/08/1127195008.db2.gz MIOXTXWCFZEFHQ-INIZCTEOSA-N 0 1 284.403 3.600 20 0 CHADMN COCCN(Cc1ccccn1)Cc1c(C)cc(C)cc1C ZINC000351590182 1127196458 /nfs/dbraw/zinc/19/64/58/1127196458.db2.gz RKKDCZLEKLUZLI-UHFFFAOYSA-N 0 1 298.430 3.655 20 0 CHADMN CCN(Cc1c[nH]nc1C)Cc1ccc2ccccc2c1 ZINC000351621703 1127199260 /nfs/dbraw/zinc/19/92/60/1127199260.db2.gz ZQGULJYJCBELSP-UHFFFAOYSA-N 0 1 279.387 3.893 20 0 CHADMN Cc1sccc1CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000351657985 1127202534 /nfs/dbraw/zinc/20/25/34/1127202534.db2.gz FSGGYVLXZIWTPW-GOSISDBHSA-N 0 1 299.439 3.730 20 0 CHADMN Cc1ccccc1[C@@H](C)N(Cc1nccc(N)n1)CC(C)C ZINC000284757452 1127204335 /nfs/dbraw/zinc/20/43/35/1127204335.db2.gz LXIGJLOWKZDFMF-OAHLLOKOSA-N 0 1 298.434 3.586 20 0 CHADMN C[C@@H](F)CCN(Cc1ccc(F)cc1F)C1CC1 ZINC000351860527 1127211725 /nfs/dbraw/zinc/21/17/25/1127211725.db2.gz LYWZVCVXIOIMSP-SNVBAGLBSA-N 0 1 257.299 3.677 20 0 CHADMN FC(F)(F)c1ccccc1CN1CCC12CCC2 ZINC000351879977 1127212655 /nfs/dbraw/zinc/21/26/55/1127212655.db2.gz IUQZIKGJTSAUPB-UHFFFAOYSA-N 0 1 255.283 3.834 20 0 CHADMN C[C@@H](N[C@H]1CCCOc2cc(Cl)ccc21)c1cn[nH]c1 ZINC000285014292 1127214912 /nfs/dbraw/zinc/21/49/12/1127214912.db2.gz HFLKWDZDBGZBRA-YGRLFVJLSA-N 0 1 291.782 3.628 20 0 CHADMN CCc1cc(CN2CCC(C(C)=O)CC2)ccc1Cl ZINC001237740377 1131136599 /nfs/dbraw/zinc/13/65/99/1131136599.db2.gz UCKIFUWWEABKBL-UHFFFAOYSA-N 0 1 279.811 3.703 20 0 CHADMN CSc1ccc(CCN[C@H](C)c2cc(C)on2)cc1 ZINC000285159780 1127218341 /nfs/dbraw/zinc/21/83/41/1127218341.db2.gz MNSFAXYPZXGTEH-GFCCVEGCSA-N 0 1 276.405 3.598 20 0 CHADMN C[N@@H+](CCCCCC(=O)[O-])CC12CC3CC(CC(C3)C1)C2 ZINC000572728638 1127225204 /nfs/dbraw/zinc/22/52/04/1127225204.db2.gz ZEFCWOUPRHWHEP-UHFFFAOYSA-N 0 1 293.451 3.780 20 0 CHADMN C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1 ZINC000223496577 1127226398 /nfs/dbraw/zinc/22/63/98/1127226398.db2.gz RLRMFKJTZADDRM-QLFBSQMISA-N 0 1 281.440 3.636 20 0 CHADMN Cc1ccccc1NC(=O)CN(C)C[C@@H](C)c1ccccc1 ZINC000589606878 1127230336 /nfs/dbraw/zinc/23/03/36/1127230336.db2.gz WVSUHEJPQLAFJH-MRXNPFEDSA-N 0 1 296.414 3.669 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(Cl)cc2Cl)[nH]n1 ZINC000589635891 1127230713 /nfs/dbraw/zinc/23/07/13/1127230713.db2.gz AODJZJOOYFMXKV-VIFPVBQESA-N 0 1 284.190 3.876 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(C(C)C)cc2)[nH]n1 ZINC000589636118 1127230731 /nfs/dbraw/zinc/23/07/31/1127230731.db2.gz IHXHUZFRJQHBNC-ZDUSSCGKSA-N 0 1 257.381 3.692 20 0 CHADMN CC[C@H](NCc1cc(C)n[nH]1)c1ccc(Cl)cc1 ZINC000589639910 1127232145 /nfs/dbraw/zinc/23/21/45/1127232145.db2.gz JUCDAWOQLALREL-AWEZNQCLSA-N 0 1 263.772 3.612 20 0 CHADMN Cc1ccnc([C@@H](C)NCc2ccc(Cl)cc2)c1 ZINC000285482145 1127232332 /nfs/dbraw/zinc/23/23/32/1127232332.db2.gz BNYCXJAIRRNJJU-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN COc1ccc2cc([C@H](C)NCc3cc(C)n[nH]3)ccc2c1 ZINC000589646850 1127233132 /nfs/dbraw/zinc/23/31/32/1127233132.db2.gz CWAHODPRYRZOMH-ZDUSSCGKSA-N 0 1 295.386 3.731 20 0 CHADMN Clc1cccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000352448804 1127233789 /nfs/dbraw/zinc/23/37/89/1127233789.db2.gz VMQRFHNVPSERKK-HZPDHXFCSA-N 0 1 291.822 3.874 20 0 CHADMN Clc1cccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000352448802 1127234320 /nfs/dbraw/zinc/23/43/20/1127234320.db2.gz VMQRFHNVPSERKK-CVEARBPZSA-N 0 1 291.822 3.874 20 0 CHADMN c1cc2cc(CNCc3ccccn3)ccc2s1 ZINC000352472626 1127235615 /nfs/dbraw/zinc/23/56/15/1127235615.db2.gz HWZDFKMUWRSBKO-UHFFFAOYSA-N 0 1 254.358 3.586 20 0 CHADMN COc1ccc(CNCc2c(F)cccc2SC)cc1 ZINC000285748900 1127242721 /nfs/dbraw/zinc/24/27/21/1127242721.db2.gz YOYSVXFSPJTAOV-UHFFFAOYSA-N 0 1 291.391 3.846 20 0 CHADMN C[C@H](N[C@@H]1C=CCC1)c1ccccc1Br ZINC000698247218 1127238074 /nfs/dbraw/zinc/23/80/74/1127238074.db2.gz FRDNQUUSVKNJIN-WDEREUQCSA-N 0 1 266.182 3.818 20 0 CHADMN CCc1cc(C(=O)Nc2ccc3nc[nH]c3c2)sc1C ZINC000352628649 1127240704 /nfs/dbraw/zinc/24/07/04/1127240704.db2.gz BBNXAGQEXAPZAY-UHFFFAOYSA-N 0 1 285.372 3.748 20 0 CHADMN Oc1cccc(C[N@H+]2CC[C@H](c3ccco3)C2)c1Cl ZINC000646087485 1127241741 /nfs/dbraw/zinc/24/17/41/1127241741.db2.gz WXMJTSOSACYMKQ-NSHDSACASA-N 0 1 277.751 3.628 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CC[C@H](c3ccco3)C2)c1Cl ZINC000646087485 1127241744 /nfs/dbraw/zinc/24/17/44/1127241744.db2.gz WXMJTSOSACYMKQ-NSHDSACASA-N 0 1 277.751 3.628 20 0 CHADMN [O-]c1cccc(C[N@H+]2CC[C@H](c3ccco3)C2)c1Cl ZINC000646087485 1127241746 /nfs/dbraw/zinc/24/17/46/1127241746.db2.gz WXMJTSOSACYMKQ-NSHDSACASA-N 0 1 277.751 3.628 20 0 CHADMN CCc1nocc1C[N@H+]1CCc2ccccc2[C@@H]1CC ZINC000646087838 1127241920 /nfs/dbraw/zinc/24/19/20/1127241920.db2.gz OXFMSKGPDWZJJA-KRWDZBQOSA-N 0 1 270.376 3.746 20 0 CHADMN CCc1nocc1CN1CCc2ccccc2[C@@H]1CC ZINC000646087838 1127241922 /nfs/dbraw/zinc/24/19/22/1127241922.db2.gz OXFMSKGPDWZJJA-KRWDZBQOSA-N 0 1 270.376 3.746 20 0 CHADMN CCc1ccc([C@H](C)C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000589945734 1127242382 /nfs/dbraw/zinc/24/23/82/1127242382.db2.gz XDLZAWRSPTZIQB-LBPRGKRZSA-N 0 1 293.370 3.868 20 0 CHADMN Fc1ccc(CN[C@@H](c2ncc[nH]2)C2CCCCC2)cc1 ZINC000285760658 1127242435 /nfs/dbraw/zinc/24/24/35/1127242435.db2.gz SFMSJWHYKNECJN-MRXNPFEDSA-N 0 1 287.382 3.960 20 0 CHADMN Cc1ccnc([C@H](C)N[C@@H]2CCCc3occc32)c1 ZINC000285855769 1127245201 /nfs/dbraw/zinc/24/52/01/1127245201.db2.gz YDAMIUHCCJXBHA-GXTWGEPZSA-N 0 1 256.349 3.711 20 0 CHADMN CCn1cc(CN[C@H](CCC(C)C)c2ccoc2)cn1 ZINC000286007021 1127253163 /nfs/dbraw/zinc/25/31/63/1127253163.db2.gz HXTGCGHZRKPEJE-MRXNPFEDSA-N 0 1 275.396 3.763 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CCC[C@@H](F)CC2)cc1Cl ZINC001237985377 1131158836 /nfs/dbraw/zinc/15/88/36/1131158836.db2.gz WJJALRRYAMEJTR-SNVBAGLBSA-N 0 1 275.726 3.509 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2ccc3occc3c2)n[nH]1 ZINC000286017347 1127253476 /nfs/dbraw/zinc/25/34/76/1127253476.db2.gz PSLWFBMLHGOHIH-NWDGAFQWSA-N 0 1 298.390 3.915 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@@H]2CCc3c2cccc3F)c1 ZINC000286124060 1127259705 /nfs/dbraw/zinc/25/97/05/1127259705.db2.gz OFSDYSLRIMOLEU-MLGOLLRUSA-N 0 1 270.351 3.867 20 0 CHADMN COc1ccncc1CNCc1csc2ccccc12 ZINC000353610809 1127271385 /nfs/dbraw/zinc/27/13/85/1127271385.db2.gz AVJQYHIEMODLSI-UHFFFAOYSA-N 0 1 284.384 3.595 20 0 CHADMN Cc1noc([C@@H]2CCCCN2C[C@@H](C)CC(C)C)n1 ZINC000353553517 1127270027 /nfs/dbraw/zinc/27/00/27/1127270027.db2.gz FCAPPJGFFVIROK-JSGCOSHPSA-N 0 1 265.401 3.587 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](CN(C)C)c2ccc(F)cc2)o1 ZINC000286912779 1127275703 /nfs/dbraw/zinc/27/57/03/1127275703.db2.gz FCLXCLJWQJRRMZ-BBRMVZONSA-N 0 1 290.382 3.681 20 0 CHADMN Cc1cccc2ncc(CN3CCC[C@H]4CCCC[C@@H]43)n21 ZINC000353894588 1127276391 /nfs/dbraw/zinc/27/63/91/1127276391.db2.gz DSQVKGTURRXPNP-WBVHZDCISA-N 0 1 283.419 3.797 20 0 CHADMN Cc1ccccc1-n1nccc1CNCc1ccsc1 ZINC000353933131 1127280326 /nfs/dbraw/zinc/28/03/26/1127280326.db2.gz OHJIWPSEGYNLET-UHFFFAOYSA-N 0 1 283.400 3.532 20 0 CHADMN CC(C)n1ccnc1CN(C1CC1)C1CCCCC1 ZINC000590925234 1127278590 /nfs/dbraw/zinc/27/85/90/1127278590.db2.gz LLPDVKKILGQUFJ-UHFFFAOYSA-N 0 1 261.413 3.761 20 0 CHADMN CSCCN(C)Cc1cc(Cl)ccc1OC(F)F ZINC000353918127 1127278978 /nfs/dbraw/zinc/27/89/78/1127278978.db2.gz IPXDROUUMTZINB-UHFFFAOYSA-N 0 1 295.782 3.736 20 0 CHADMN CCOC(=O)c1coc(CN[C@@H]2CCCc3ccccc32)c1 ZINC000353940959 1127280393 /nfs/dbraw/zinc/28/03/93/1127280393.db2.gz DUJSTDBYFJMSCT-QGZVFWFLSA-N 0 1 299.370 3.624 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@@H](C)c2ccc3n[nH]cc3c2)c1 ZINC000353969607 1127282280 /nfs/dbraw/zinc/28/22/80/1127282280.db2.gz BMQTZCZGNDYWFL-QWHCGFSZSA-N 0 1 280.375 3.678 20 0 CHADMN CCCCc1ccc(NC(=O)[C@@H]2CCCCN2CC)cc1 ZINC000591093581 1127285500 /nfs/dbraw/zinc/28/55/00/1127285500.db2.gz DIVPCXWDTOZFHO-KRWDZBQOSA-N 0 1 288.435 3.842 20 0 CHADMN CCCCOC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000353997088 1127283899 /nfs/dbraw/zinc/28/38/99/1127283899.db2.gz IGZYVBBBLUBKNS-UHFFFAOYSA-N 0 1 283.362 3.746 20 0 CHADMN C[C@H](c1cn(-c2ccccc2)nn1)N1CCCCCCC1 ZINC000760806508 1127284702 /nfs/dbraw/zinc/28/47/02/1127284702.db2.gz JFNYFPSOAMTQIW-OAHLLOKOSA-N 0 1 284.407 3.594 20 0 CHADMN Cc1noc(C)c1C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000354010921 1127285145 /nfs/dbraw/zinc/28/51/45/1127285145.db2.gz PUPRIGLVYGYYAB-CQSZACIVSA-N 0 1 290.794 3.934 20 0 CHADMN Cc1nc(CN2CC[C@@H](C)C(C)(C)C2)c(C)s1 ZINC000354024422 1127285939 /nfs/dbraw/zinc/28/59/39/1127285939.db2.gz OSKXVZITZLAMOE-SNVBAGLBSA-N 0 1 252.427 3.628 20 0 CHADMN C[C@@H]1CN(Cc2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 ZINC000354025412 1127286390 /nfs/dbraw/zinc/28/63/90/1127286390.db2.gz DDVULOXLOVQFMD-KUHUBIRLSA-N 0 1 295.382 3.651 20 0 CHADMN COc1ccc2ccccc2c1CN(C)Cc1ccc[nH]1 ZINC000354033176 1127287471 /nfs/dbraw/zinc/28/74/71/1127287471.db2.gz IWOBVKUPWHWJIQ-UHFFFAOYSA-N 0 1 280.371 3.809 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccc(Cl)cc1)c1ccccn1 ZINC000287092887 1127288581 /nfs/dbraw/zinc/28/85/81/1127288581.db2.gz POABGRDLKBCRCJ-MLGOLLRUSA-N 0 1 290.794 3.509 20 0 CHADMN C[C@@H](CCc1ccccc1)NCc1nccc(C(F)F)n1 ZINC000287225019 1127297272 /nfs/dbraw/zinc/29/72/72/1127297272.db2.gz XUGYYFFHQPXTDA-LBPRGKRZSA-N 0 1 291.345 3.525 20 0 CHADMN COCc1cnc(CN2CC[C@@H](C(C)(C)C)C[C@@H]2C)s1 ZINC000573167693 1127298243 /nfs/dbraw/zinc/29/82/43/1127298243.db2.gz UTHZCKFAETUOEB-QWHCGFSZSA-N 0 1 296.480 3.936 20 0 CHADMN CC(C)(C)[C@@H]1CCCN1Cc1nc(-c2cccs2)no1 ZINC000591378046 1127300804 /nfs/dbraw/zinc/30/08/04/1127300804.db2.gz AUAUHUASSJKODU-LBPRGKRZSA-N 0 1 291.420 3.809 20 0 CHADMN FC(F)COCCN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646118227 1127303016 /nfs/dbraw/zinc/30/30/16/1127303016.db2.gz FSGGRAHAINRFGT-INIZCTEOSA-N 0 1 293.357 3.661 20 0 CHADMN Cc1nc([C@@H](C)N2CC3(CC=CC3)[C@H]2c2ccccc2)n[nH]1 ZINC000646118504 1127303617 /nfs/dbraw/zinc/30/36/17/1127303617.db2.gz LHGHDOKVXXVXEV-CZUORRHYSA-N 0 1 294.402 3.567 20 0 CHADMN CCC(CC)(CNCc1ncc(Cl)s1)SC ZINC000225360549 1127315685 /nfs/dbraw/zinc/31/56/85/1127315685.db2.gz GCMMMHWWEYKSKU-UHFFFAOYSA-N 0 1 278.874 3.808 20 0 CHADMN COC[C@H](NC[C@@H](C)SC)c1cccc(Cl)c1F ZINC000287673410 1127311853 /nfs/dbraw/zinc/31/18/53/1127311853.db2.gz MGEJJDIOPXUEEE-SKDRFNHKSA-N 0 1 291.819 3.508 20 0 CHADMN COc1ccncc1CN[C@@H](C)c1cccc(C)c1C ZINC000287973322 1127315059 /nfs/dbraw/zinc/31/50/59/1127315059.db2.gz ZNNHTZGNRQXVLP-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000573500308 1127316841 /nfs/dbraw/zinc/31/68/41/1127316841.db2.gz QMDOHZZSHVFOIM-DZGCQCFKSA-N 0 1 299.370 3.746 20 0 CHADMN Cc1nccc(N2CCc3cccc(F)c3C2)c1Cl ZINC000355103096 1127317235 /nfs/dbraw/zinc/31/72/35/1127317235.db2.gz VLUWNKZYAIPHAY-UHFFFAOYSA-N 0 1 276.742 3.745 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Br)cn2)C[C@@H](C)C1 ZINC000355114467 1127318085 /nfs/dbraw/zinc/31/80/85/1127318085.db2.gz PEMZVMPQDHVSNV-RYUDHWBXSA-N 0 1 297.240 3.712 20 0 CHADMN COc1c(CN2CCCCC[C@@H]2C)ccc(F)c1F ZINC001238476858 1131205151 /nfs/dbraw/zinc/20/51/51/1131205151.db2.gz ITTMMPDMUAZWBK-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN Cc1ccncc1CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000355125842 1127318956 /nfs/dbraw/zinc/31/89/56/1127318956.db2.gz QWMTYDJOWFLCPX-ZDUSSCGKSA-N 0 1 286.341 3.800 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000573571407 1127319357 /nfs/dbraw/zinc/31/93/57/1127319357.db2.gz ARLITBXIQHNBLQ-QGZVFWFLSA-N 0 1 293.382 3.926 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000573615819 1127320386 /nfs/dbraw/zinc/32/03/86/1127320386.db2.gz BNXHVWWMZZNACX-QGZVFWFLSA-N 0 1 285.387 3.915 20 0 CHADMN CCOc1cc(C[N@H+]2CC[C@H](C)C2)cc(C(F)(F)F)c1 ZINC001238501634 1131210374 /nfs/dbraw/zinc/21/03/74/1131210374.db2.gz PXHNYPMQALAZSY-NSHDSACASA-N 0 1 287.325 3.946 20 0 CHADMN CCOc1cc(CN2CC[C@H](C)C2)cc(C(F)(F)F)c1 ZINC001238501634 1131210377 /nfs/dbraw/zinc/21/03/77/1131210377.db2.gz PXHNYPMQALAZSY-NSHDSACASA-N 0 1 287.325 3.946 20 0 CHADMN Fc1ccccc1CN1CCCO[C@@H](c2ccccc2)C1 ZINC000591812021 1127322704 /nfs/dbraw/zinc/32/27/04/1127322704.db2.gz VXTGQQOMBHPUOO-GOSISDBHSA-N 0 1 285.362 3.789 20 0 CHADMN C[C@@H]1COC(C)(C)CN1Cc1ccc(C(F)F)cc1 ZINC000355185228 1127323489 /nfs/dbraw/zinc/32/34/89/1127323489.db2.gz XTRHEMBOQFMNQP-LLVKDONJSA-N 0 1 269.335 3.624 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@@H](n2ccnc2)C1 ZINC000591869428 1127324683 /nfs/dbraw/zinc/32/46/83/1127324683.db2.gz VUESOYCOFKBIGL-GXTWGEPZSA-N 0 1 291.345 3.559 20 0 CHADMN COc1ccsc1CN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000355211514 1127325327 /nfs/dbraw/zinc/32/53/27/1127325327.db2.gz COHUEFSVYBNTLR-IUCAKERBSA-N 0 1 279.327 3.529 20 0 CHADMN Cc1cc(C)n2c(CN3CC=C(C(C)(C)C)CC3)cnc2n1 ZINC000355204541 1127325354 /nfs/dbraw/zinc/32/53/54/1127325354.db2.gz ZRWDUUYBQIGUTI-UHFFFAOYSA-N 0 1 298.434 3.524 20 0 CHADMN Fc1ccccc1CO[C@@H]1CCCN(Cc2ccco2)C1 ZINC000355216103 1127325873 /nfs/dbraw/zinc/32/58/73/1127325873.db2.gz IYRDRSKKCDBKQQ-MRXNPFEDSA-N 0 1 289.350 3.600 20 0 CHADMN Cc1ccc2cc(CN3C[C@@H](C)O[C@@H](C4CC4)C3)ccc2n1 ZINC000355225063 1127326878 /nfs/dbraw/zinc/32/68/78/1127326878.db2.gz RHRNGFQMDHOJNA-AUUYWEPGSA-N 0 1 296.414 3.543 20 0 CHADMN Cc1ccc2cc(CN3C[C@@H](C4CC4)O[C@@H](C)C3)ccc2n1 ZINC000355225071 1127327129 /nfs/dbraw/zinc/32/71/29/1127327129.db2.gz RHRNGFQMDHOJNA-LIRRHRJNSA-N 0 1 296.414 3.543 20 0 CHADMN Cc1ccc2cc(CN3C[C@@H](C)O[C@H](C4CC4)C3)ccc2n1 ZINC000355225069 1127327154 /nfs/dbraw/zinc/32/71/54/1127327154.db2.gz RHRNGFQMDHOJNA-KUHUBIRLSA-N 0 1 296.414 3.543 20 0 CHADMN CCc1noc([C@@H](C)N2CCC[C@H](Cc3ccccc3)C2)n1 ZINC000592323116 1127341914 /nfs/dbraw/zinc/34/19/14/1127341914.db2.gz JTOAERKROGFSFP-GDBMZVCRSA-N 0 1 299.418 3.648 20 0 CHADMN C[C@@H]1CC[N@@H+](CCCCCC(=O)[O-])CC12CCCCC2 ZINC000573974913 1127347381 /nfs/dbraw/zinc/34/73/81/1127347381.db2.gz FLHBXJXGGQIMNX-OAHLLOKOSA-N 0 1 281.440 3.924 20 0 CHADMN C[C@H]1CCN(Cc2cnc([C@H]3CCCO3)s2)CC1(C)C ZINC000355526201 1127347592 /nfs/dbraw/zinc/34/75/92/1127347592.db2.gz GKWJCYCCWMPTAM-GXTWGEPZSA-N 0 1 294.464 3.863 20 0 CHADMN Cc1cc(CN(C)Cc2cnccc2C)c2ccccc2n1 ZINC000355584666 1127351679 /nfs/dbraw/zinc/35/16/79/1127351679.db2.gz NQUILCAZJOBSEX-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN CCC1(Cc2ccccc2)CCN(Cc2c[nH]cn2)CC1 ZINC000355604066 1127353537 /nfs/dbraw/zinc/35/35/37/1127353537.db2.gz ZAQISWJVAUISCJ-UHFFFAOYSA-N 0 1 283.419 3.645 20 0 CHADMN COCc1cnc(CN2CCC[C@H](C(C)(C)C)C2)s1 ZINC000355655251 1127356251 /nfs/dbraw/zinc/35/62/51/1127356251.db2.gz HRTOIYYZPCIAGM-LBPRGKRZSA-N 0 1 282.453 3.548 20 0 CHADMN COc1ccc(CN2CCCc3sccc3C2)cc1F ZINC000592981620 1127363781 /nfs/dbraw/zinc/36/37/81/1127363781.db2.gz ADQWLENDBBDIMP-UHFFFAOYSA-N 0 1 291.391 3.844 20 0 CHADMN Clc1cnc(CN(CC2CC2)C2CCC2)s1 ZINC000355733191 1127361262 /nfs/dbraw/zinc/36/12/62/1127361262.db2.gz PTNUQIIKOZJUOS-UHFFFAOYSA-N 0 1 256.802 3.561 20 0 CHADMN CCC[N@@H+](Cc1ccc(C)cc1)Cc1cc(OC)ccn1 ZINC000592889197 1127361833 /nfs/dbraw/zinc/36/18/33/1127361833.db2.gz VRFGKUQBXXAFLX-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN CC(C)(C)CN(CCO)Cc1ccc(Cl)cc1Cl ZINC000592894807 1127362937 /nfs/dbraw/zinc/36/29/37/1127362937.db2.gz JCJAHOBDNXWXQC-UHFFFAOYSA-N 0 1 290.234 3.834 20 0 CHADMN CN(Cc1ccccc1Oc1ccccc1)[C@@H]1CCOC1 ZINC000592895314 1127363243 /nfs/dbraw/zinc/36/32/43/1127363243.db2.gz TVVCMIMTEZMXGF-MRXNPFEDSA-N 0 1 283.371 3.700 20 0 CHADMN CCC[C@]1(CO)CCN([C@H](C)c2c(F)cccc2F)C1 ZINC000288944551 1127368154 /nfs/dbraw/zinc/36/81/54/1127368154.db2.gz XAQMFIVFMLBVNY-WBMJQRKESA-N 0 1 283.362 3.510 20 0 CHADMN COC[C@H](NCc1ccccc1OC1CC1)c1ccccc1 ZINC000289021442 1127370492 /nfs/dbraw/zinc/37/04/92/1127370492.db2.gz ARAYVZFWJVAXMR-SFHVURJKSA-N 0 1 297.398 3.705 20 0 CHADMN Cc1cnn(C)c1CN(C)[C@@H](C)c1ccc(C)cc1C ZINC000289120972 1127374370 /nfs/dbraw/zinc/37/43/70/1127374370.db2.gz NQIARPVHPWHGEJ-HNNXBMFYSA-N 0 1 271.408 3.538 20 0 CHADMN C[C@H]1C[C@@H](NCc2cn3ccsc3n2)c2ccccc21 ZINC000289163893 1127376133 /nfs/dbraw/zinc/37/61/33/1127376133.db2.gz HCTPBOWLEHFWJM-XHDPSFHLSA-N 0 1 283.400 3.734 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2c(C)cnn2C)o1 ZINC000289198619 1127376696 /nfs/dbraw/zinc/37/66/96/1127376696.db2.gz HLHJJGGNXRHBIF-SWLSCSKDSA-N 0 1 287.407 3.603 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2c(C)cnn2C)o1 ZINC000289198616 1127376896 /nfs/dbraw/zinc/37/68/96/1127376896.db2.gz HLHJJGGNXRHBIF-DOMZBBRYSA-N 0 1 287.407 3.603 20 0 CHADMN COc1ccc(CN2CCC=C(c3cccnc3)C2)cc1F ZINC000289255984 1127379213 /nfs/dbraw/zinc/37/92/13/1127379213.db2.gz CTBIPCWXHYDPDM-UHFFFAOYSA-N 0 1 298.361 3.519 20 0 CHADMN C[C@@H]1CCN(Cc2nc3ccccc3n2C)CC12CCC2 ZINC000357040806 1127386674 /nfs/dbraw/zinc/38/66/74/1127386674.db2.gz ORRQWBPJJAOAPC-CQSZACIVSA-N 0 1 283.419 3.585 20 0 CHADMN CCN(Cc1ccn(-c2ccc(Cl)cc2)n1)CC1CC1 ZINC000466826880 1127385681 /nfs/dbraw/zinc/38/56/81/1127385681.db2.gz BCEOJGWKNHXVSI-UHFFFAOYSA-N 0 1 289.810 3.758 20 0 CHADMN C[N@@H+](Cc1ccccc1CC(=O)[O-])C1CCC(C)(C)CC1 ZINC000167746356 1127389375 /nfs/dbraw/zinc/38/93/75/1127389375.db2.gz BPGYWQKXFAXKHW-UHFFFAOYSA-N 0 1 289.419 3.714 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C)CC2)c(F)c1 ZINC000357391370 1127390106 /nfs/dbraw/zinc/39/01/06/1127390106.db2.gz ORRZVSOUEPEZPX-GXTWGEPZSA-N 0 1 292.398 3.583 20 0 CHADMN CCc1ccc(C2=CCN(Cc3ccccn3)CC2)cc1 ZINC000357530311 1127391357 /nfs/dbraw/zinc/39/13/57/1127391357.db2.gz PQXLANKKUVBXON-UHFFFAOYSA-N 0 1 278.399 3.933 20 0 CHADMN c1ccc(CN(CC2=Cc3ccccc3OC2)C2CC2)nc1 ZINC000290625066 1127392643 /nfs/dbraw/zinc/39/26/43/1127392643.db2.gz XNXCMVBUWCGWTJ-UHFFFAOYSA-N 0 1 292.382 3.522 20 0 CHADMN CC(C)(C)OC(=O)c1ccc(CN2CCCCC2)s1 ZINC001308610438 1127395545 /nfs/dbraw/zinc/39/55/45/1127395545.db2.gz GDPJUBGBYXTVTI-UHFFFAOYSA-N 0 1 281.421 3.689 20 0 CHADMN CCN(Cc1ncc(-c2ccccc2F)o1)C1CCC1 ZINC000357893209 1127395991 /nfs/dbraw/zinc/39/59/91/1127395991.db2.gz JKRBHQOKDMNQGT-UHFFFAOYSA-N 0 1 274.339 3.855 20 0 CHADMN CC(=O)Nc1ccc(CN[C@H]2CSc3ccccc32)cc1 ZINC000358061704 1127400513 /nfs/dbraw/zinc/40/05/13/1127400513.db2.gz MRESUFNYLMFTGV-INIZCTEOSA-N 0 1 298.411 3.582 20 0 CHADMN N#CC(C(=O)C=Cc1ccco1)c1nc2ccccc2s1 ZINC000046439540 1127401045 /nfs/dbraw/zinc/40/10/45/1127401045.db2.gz UXFATUKOHPILOM-GUOLPTJISA-N 0 1 294.335 3.779 20 0 CHADMN N#CC(C(=O)C=Cc1ccco1)c1nc2ccccc2s1 ZINC000046439541 1127401109 /nfs/dbraw/zinc/40/11/09/1127401109.db2.gz UXFATUKOHPILOM-QDZRJHCZSA-N 0 1 294.335 3.779 20 0 CHADMN C[C@@H](CC[N@H+]1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000226455589 1127403464 /nfs/dbraw/zinc/40/34/64/1127403464.db2.gz DRRSEKUAJYXALP-HOTGVXAUSA-N 0 1 289.419 3.757 20 0 CHADMN CC(C)Oc1ccccc1CN1CC[C@@H](C(F)(F)F)C1 ZINC000761040649 1127399694 /nfs/dbraw/zinc/39/96/94/1127399694.db2.gz IRDYNLKZWKZAQP-CYBMUJFWSA-N 0 1 287.325 3.858 20 0 CHADMN Cc1cc(CNCc2cccc(F)c2F)cc(C)c1O ZINC000594051781 1127406876 /nfs/dbraw/zinc/40/68/76/1127406876.db2.gz RYDVHDDQVRVBBR-UHFFFAOYSA-N 0 1 277.314 3.577 20 0 CHADMN Fc1ccc2c(c1)nccc2NCCC1CCOCC1 ZINC000358212359 1127408525 /nfs/dbraw/zinc/40/85/25/1127408525.db2.gz NTFNBGVQGCOBGY-UHFFFAOYSA-N 0 1 274.339 3.603 20 0 CHADMN CC[C@H](N[C@H](C)c1n[nH]c(C(C)C)n1)c1ccc(F)cc1 ZINC000358271485 1127412177 /nfs/dbraw/zinc/41/21/77/1127412177.db2.gz YMSLASBSXNBQME-RISCZKNCSA-N 0 1 290.386 3.869 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1cccc(OC)c1 ZINC000358290174 1127413573 /nfs/dbraw/zinc/41/35/73/1127413573.db2.gz DKVQJURMDMQSRP-HZPDHXFCSA-N 0 1 285.391 3.537 20 0 CHADMN Cc1cccc(-c2nnc([C@H](C)N3CCC4(CC4)CC3)o2)c1 ZINC000761063445 1127416649 /nfs/dbraw/zinc/41/66/49/1127416649.db2.gz VCIVCHWQTSBWLS-AWEZNQCLSA-N 0 1 297.402 3.982 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](c2cccnc2)C2CC2)o1 ZINC000358367569 1127417779 /nfs/dbraw/zinc/41/77/79/1127417779.db2.gz MNSSZMVRQGHOFL-LRDDRELGSA-N 0 1 256.349 3.785 20 0 CHADMN CCOc1cc(CN2CCCC[C@@H]2C)cc(Cl)c1O ZINC001308652945 1127421427 /nfs/dbraw/zinc/42/14/27/1127421427.db2.gz HRFODEFJSBKIAA-NSHDSACASA-N 0 1 283.799 3.819 20 0 CHADMN C[C@H](c1cccnc1)N1CC(c2nc3ccccc3s2)C1 ZINC000358815431 1127434953 /nfs/dbraw/zinc/43/49/53/1127434953.db2.gz AAURKAKKFLLECA-GFCCVEGCSA-N 0 1 295.411 3.852 20 0 CHADMN Cc1nn(C)cc1CN1CCc2ccc(C(C)(C)C)cc2C1 ZINC000358837378 1127435730 /nfs/dbraw/zinc/43/57/30/1127435730.db2.gz ZCHBQRZIDMGPNQ-UHFFFAOYSA-N 0 1 297.446 3.584 20 0 CHADMN CC(C)=CCCN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000358910486 1127438473 /nfs/dbraw/zinc/43/84/73/1127438473.db2.gz WQKZXIYLBKYIDB-OAHLLOKOSA-N 0 1 273.355 3.584 20 0 CHADMN C[C@H]([NH2+]C/C=C/Cl)c1cc(Br)ccc1[O-] ZINC000903443709 1127447259 /nfs/dbraw/zinc/44/72/59/1127447259.db2.gz JFUTVUZGHIOXCN-NCJLJLRUSA-N 0 1 290.588 3.558 20 0 CHADMN CC[C@@H]1CO[C@@H](CC)CN1Cc1csc(C)c1C ZINC000630072858 1127456363 /nfs/dbraw/zinc/45/63/63/1127456363.db2.gz LAMZXNXFMJOLGA-CABCVRRESA-N 0 1 267.438 3.754 20 0 CHADMN Cc1cnc(=S)n(CN2CCC[C@@H](C(C)C)CC2)c1 ZINC000758330961 1127457588 /nfs/dbraw/zinc/45/75/88/1127457588.db2.gz DBBHOYRMMXUGHP-CQSZACIVSA-N 0 1 279.453 3.637 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@H](C)c1cncs1 ZINC000359340582 1127459544 /nfs/dbraw/zinc/45/95/44/1127459544.db2.gz LEIXBPIHRYFHTL-GHMZBOCLSA-N 0 1 261.394 3.512 20 0 CHADMN CC(C)C[C@H](C)CNCc1noc(-c2ccccc2F)n1 ZINC000575026839 1127461053 /nfs/dbraw/zinc/46/10/53/1127461053.db2.gz BPQXNOFYADDKKZ-LBPRGKRZSA-N 0 1 291.370 3.648 20 0 CHADMN Cc1nc(C)c(CNc2cc3c(cn2)CCCC3)s1 ZINC000359468443 1127464429 /nfs/dbraw/zinc/46/44/29/1127464429.db2.gz PMYGCLJVUBIJKB-UHFFFAOYSA-N 0 1 273.405 3.646 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1cccc(C)n1)[C@@H]2C ZINC000359544207 1127466789 /nfs/dbraw/zinc/46/67/89/1127466789.db2.gz VTLGQQCAFZYZRH-HUUCEWRRSA-N 0 1 296.414 3.906 20 0 CHADMN C[C@@H]1CC[C@]2(CCN(Cc3nc(-c4ccccc4)no3)C2)C1 ZINC000359552020 1127467134 /nfs/dbraw/zinc/46/71/34/1127467134.db2.gz FZRCZWCPFFOMRQ-KDOFPFPSSA-N 0 1 297.402 3.749 20 0 CHADMN COC(=O)c1sccc1CN1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359553356 1127467408 /nfs/dbraw/zinc/46/74/08/1127467408.db2.gz HJRVWITWCABXJJ-MLGOLLRUSA-N 0 1 293.432 3.547 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1cnccc1C)[C@@H]2C ZINC000359544789 1127467452 /nfs/dbraw/zinc/46/74/52/1127467452.db2.gz XANVIJXTPYTBMM-HUUCEWRRSA-N 0 1 296.414 3.906 20 0 CHADMN Cc1coc2ccc(NC(=O)CN3[C@H](C)CC[C@@H]3C)cc12 ZINC000359543794 1127467461 /nfs/dbraw/zinc/46/74/61/1127467461.db2.gz DPSTZRLWUYNRHO-BETUJISGSA-N 0 1 286.375 3.553 20 0 CHADMN COc1cccc(CN[C@@H]2CCC(C)(C)c3ccccc32)n1 ZINC000359740446 1127476066 /nfs/dbraw/zinc/47/60/66/1127476066.db2.gz RVMZTJPOZITVAJ-QGZVFWFLSA-N 0 1 296.414 3.993 20 0 CHADMN C[C@H]1COc2ccccc2CN1CCC(=O)c1ccccc1 ZINC000359862900 1127481069 /nfs/dbraw/zinc/48/10/69/1127481069.db2.gz RMHNJIWSIIKLTG-HNNXBMFYSA-N 0 1 295.382 3.543 20 0 CHADMN CC(C)(NCc1nccn1-c1ccccc1)c1ccccc1 ZINC000359971982 1127485214 /nfs/dbraw/zinc/48/52/14/1127485214.db2.gz SUIIWXYPSVYMLJ-UHFFFAOYSA-N 0 1 291.398 3.897 20 0 CHADMN Cc1ccc(CN(Cc2ccco2)C(C)C)c(C)n1 ZINC000360072725 1127488501 /nfs/dbraw/zinc/48/85/01/1127488501.db2.gz RLRVZTFIVHHRIH-UHFFFAOYSA-N 0 1 258.365 3.702 20 0 CHADMN CCC(CC)N(CC(C)C)C(=O)c1cccc2n[nH]cc21 ZINC000360364180 1127497301 /nfs/dbraw/zinc/49/73/01/1127497301.db2.gz TVQYAEBMQNVZEH-UHFFFAOYSA-N 0 1 287.407 3.850 20 0 CHADMN C/C=C/c1ccc(NC(=O)c2ccc3cncn3c2)cc1 ZINC000360326149 1127496195 /nfs/dbraw/zinc/49/61/95/1127496195.db2.gz RJNUGFQXPUTGRQ-NSCUHMNNSA-N 0 1 277.327 3.620 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc2c(c1)CCC2 ZINC000360433126 1127498745 /nfs/dbraw/zinc/49/87/45/1127498745.db2.gz GHSIISQFIAYLGN-UHFFFAOYSA-N 0 1 291.354 3.612 20 0 CHADMN CCn1ccnc1C[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000360609527 1127502983 /nfs/dbraw/zinc/50/29/83/1127502983.db2.gz DIJLQNKVSHNNLJ-OAHLLOKOSA-N 0 1 275.440 3.695 20 0 CHADMN CCn1ccnc1CN1CC[C@@H](C)C2(CCCCC2)C1 ZINC000360609527 1127502985 /nfs/dbraw/zinc/50/29/85/1127502985.db2.gz DIJLQNKVSHNNLJ-OAHLLOKOSA-N 0 1 275.440 3.695 20 0 CHADMN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc2c[nH]nc21 ZINC000360691854 1127505918 /nfs/dbraw/zinc/50/59/18/1127505918.db2.gz XXOWJBBBTWNCLL-GXTWGEPZSA-N 0 1 299.418 3.850 20 0 CHADMN CCn1cc([C@H](C)NCc2ccc(C(C)(F)F)cc2)cn1 ZINC000293575785 1127506983 /nfs/dbraw/zinc/50/69/83/1127506983.db2.gz BSKFBICQXIGMBO-LBPRGKRZSA-N 0 1 293.361 3.866 20 0 CHADMN Cc1nc2cc(Cl)c(NCc3cn[nH]c3C)cc2s1 ZINC000360774177 1127510675 /nfs/dbraw/zinc/51/06/75/1127510675.db2.gz XJHOZHVZSNOZEB-UHFFFAOYSA-N 0 1 292.795 3.902 20 0 CHADMN COc1ccc(F)c(CN[C@H]2CCc3c2cccc3F)c1 ZINC000293683087 1127513003 /nfs/dbraw/zinc/51/30/03/1127513003.db2.gz VTUCDNOZRZFBNF-KRWDZBQOSA-N 0 1 289.325 3.751 20 0 CHADMN Cc1nnsc1CN[C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000293718640 1127515084 /nfs/dbraw/zinc/51/50/84/1127515084.db2.gz PKXBFEWRIYGXTB-GJZGRUSLSA-N 0 1 287.432 3.821 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cccc3c1OCCO3)CC2 ZINC000596690718 1127515317 /nfs/dbraw/zinc/51/53/17/1127515317.db2.gz UHFBWFUCZNNEEK-QGZVFWFLSA-N 0 1 295.382 3.543 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CC3(CCC3)[C@H]2C(C)C)[nH]1 ZINC000293759752 1127517965 /nfs/dbraw/zinc/51/79/65/1127517965.db2.gz MVIFOHZZYMMMQN-MRXNPFEDSA-N 0 1 297.402 3.522 20 0 CHADMN Cc1ccoc1CN[C@@H](C)c1ccccc1N(C)C ZINC000293800318 1127521476 /nfs/dbraw/zinc/52/14/76/1127521476.db2.gz UWZAIKVULBBPMU-ZDUSSCGKSA-N 0 1 258.365 3.505 20 0 CHADMN CC(C)Oc1c(CN(C)C(C)C)ccc(F)c1F ZINC001238744185 1131239695 /nfs/dbraw/zinc/23/96/95/1131239695.db2.gz QBGGXMNNQJFSTB-UHFFFAOYSA-N 0 1 257.324 3.592 20 0 CHADMN Cc1cc([C@@H](C)NCc2cn(C)nc2C(F)F)c(C)s1 ZINC000360952629 1127523657 /nfs/dbraw/zinc/52/36/57/1127523657.db2.gz ACZDEHNEIJKGKQ-SECBINFHSA-N 0 1 299.390 3.887 20 0 CHADMN COc1cccc(C2=CCN(Cc3ccc(C)nc3)CC2)c1 ZINC000360963995 1127523755 /nfs/dbraw/zinc/52/37/55/1127523755.db2.gz KAJLEKYVNZFQDD-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN c1cc(CCCOc2ccccc2-c2nnc[nH]2)cs1 ZINC000360978889 1127525382 /nfs/dbraw/zinc/52/53/82/1127525382.db2.gz MLTDMWLPZFIDLI-UHFFFAOYSA-N 0 1 285.372 3.545 20 0 CHADMN COc1ccc(C)cc1CN[C@@H]1CCCc2c(O)cccc21 ZINC000360997850 1127527707 /nfs/dbraw/zinc/52/77/07/1127527707.db2.gz OEYXFTXTDWBLMY-QGZVFWFLSA-N 0 1 297.398 3.876 20 0 CHADMN FCCCCN[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000361001007 1127528550 /nfs/dbraw/zinc/52/85/50/1127528550.db2.gz DJGYQNFPHCPPSZ-INIZCTEOSA-N 0 1 294.320 3.789 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN[C@@H]1CCCc2c[nH]nc21 ZINC000361027630 1127531512 /nfs/dbraw/zinc/53/15/12/1127531512.db2.gz GDAYHVIGIWSBHE-OAHLLOKOSA-N 0 1 289.810 3.847 20 0 CHADMN CC(C)N(Cc1cnc(C2CCCC2)s1)[C@H]1CCOC1 ZINC000361056031 1127533908 /nfs/dbraw/zinc/53/39/08/1127533908.db2.gz YPJHEYLGLKXTAI-AWEZNQCLSA-N 0 1 294.464 3.800 20 0 CHADMN COc1ccc(F)cc1CN(C)Cc1cccc2[nH]ccc21 ZINC000361143621 1127541583 /nfs/dbraw/zinc/54/15/83/1127541583.db2.gz LBLURKMSUHHXSI-UHFFFAOYSA-N 0 1 298.361 3.948 20 0 CHADMN CC[C@H](N[C@H](C)c1cccc(O)c1)c1c(C)nn(C)c1C ZINC000361183979 1127545571 /nfs/dbraw/zinc/54/55/71/1127545571.db2.gz HWZYENMRUZITEI-BZNIZROVSA-N 0 1 287.407 3.544 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1ccc(C)nc1)[C@@H]2C ZINC000361274816 1127552091 /nfs/dbraw/zinc/55/20/91/1127552091.db2.gz BFKIHESEJWCWOA-HUUCEWRRSA-N 0 1 296.414 3.906 20 0 CHADMN CC[C@H]1CCCN(Cc2cncc(C(F)(F)F)c2)C1 ZINC000361287200 1127553042 /nfs/dbraw/zinc/55/30/42/1127553042.db2.gz ISAOGNWEULPXLG-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN COc1cc(Cl)ccc1CN1CCC[C@@H]1CSC ZINC000361297200 1127554834 /nfs/dbraw/zinc/55/48/34/1127554834.db2.gz ZFJWPYHYVJECAA-CYBMUJFWSA-N 0 1 285.840 3.676 20 0 CHADMN COc1cc(Cl)ccc1CN1CCS[C@H](C)CC1 ZINC000361336090 1127557522 /nfs/dbraw/zinc/55/75/22/1127557522.db2.gz MDNWSBXOPBRMIO-LLVKDONJSA-N 0 1 285.840 3.676 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCC3CCC3)n2)o1 ZINC000361450760 1127563817 /nfs/dbraw/zinc/56/38/17/1127563817.db2.gz XAJNNPBMTPRRQP-BQYQJAHWSA-N 0 1 275.377 3.769 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCC3CCC3)n2)o1 ZINC000361450761 1127564045 /nfs/dbraw/zinc/56/40/45/1127564045.db2.gz XAJNNPBMTPRRQP-FPLPWBNLSA-N 0 1 275.377 3.769 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000361547470 1127570813 /nfs/dbraw/zinc/57/08/13/1127570813.db2.gz GFXNDEKHRQCGPU-ZDUSSCGKSA-N 0 1 289.379 3.588 20 0 CHADMN CCCC[N@@H+](Cc1nccn1-c1ccccc1)C1CC1 ZINC000361508595 1127568136 /nfs/dbraw/zinc/56/81/36/1127568136.db2.gz NPBJTUSDELABLY-UHFFFAOYSA-N 0 1 269.392 3.637 20 0 CHADMN CCCCN(Cc1nccn1-c1ccccc1)C1CC1 ZINC000361508595 1127568139 /nfs/dbraw/zinc/56/81/39/1127568139.db2.gz NPBJTUSDELABLY-UHFFFAOYSA-N 0 1 269.392 3.637 20 0 CHADMN C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2nccn2-c2ccccc2)C1 ZINC000361509345 1127568263 /nfs/dbraw/zinc/56/82/63/1127568263.db2.gz UNXIPCKKUVYBHR-NVXWUHKLSA-N 0 1 283.419 3.883 20 0 CHADMN C[C@@H]1CCC[C@@H](N(C)Cc2nccn2-c2ccccc2)C1 ZINC000361509345 1127568266 /nfs/dbraw/zinc/56/82/66/1127568266.db2.gz UNXIPCKKUVYBHR-NVXWUHKLSA-N 0 1 283.419 3.883 20 0 CHADMN COc1ccncc1CN[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000294381275 1127568763 /nfs/dbraw/zinc/56/87/63/1127568763.db2.gz RLSLDPODFIOPPN-CZUORRHYSA-N 0 1 282.387 3.737 20 0 CHADMN CCCOc1ccc(C(C)(C)NCc2cnoc2C)cc1 ZINC000361557012 1127571701 /nfs/dbraw/zinc/57/17/01/1127571701.db2.gz NLKPSWAMLDOARA-UHFFFAOYSA-N 0 1 288.391 3.797 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1C[C@@H](F)C[C@H]1C ZINC001232001719 1127572745 /nfs/dbraw/zinc/57/27/45/1127572745.db2.gz GVSZSKNHKVDQFQ-MFKMUULPSA-N 0 1 275.289 3.946 20 0 CHADMN CCN(Cc1nc(-c2ccsc2)oc1C)C[C@H](C)OC ZINC000361575139 1127573695 /nfs/dbraw/zinc/57/36/95/1127573695.db2.gz BTOQEQMRLIZCAS-NSHDSACASA-N 0 1 294.420 3.568 20 0 CHADMN COc1ccc(C2(NCc3cccc(F)c3)CC2)cc1 ZINC000598038069 1127577119 /nfs/dbraw/zinc/57/71/19/1127577119.db2.gz WXECBPUHTHZJGF-UHFFFAOYSA-N 0 1 271.335 3.613 20 0 CHADMN C[C@H]1CCSCCN1Cc1cccc(Cl)c1F ZINC000361642104 1127578164 /nfs/dbraw/zinc/57/81/64/1127578164.db2.gz HCYBDXLPTSGHFZ-JTQLQIEISA-N 0 1 273.804 3.807 20 0 CHADMN C[C@@H]1CCSCCN1Cc1cc(F)cc(Cl)c1 ZINC000361643022 1127578490 /nfs/dbraw/zinc/57/84/90/1127578490.db2.gz LDLSDKXWWYVBHO-SNVBAGLBSA-N 0 1 273.804 3.807 20 0 CHADMN COCCN(Cc1ncc(C(C)C)s1)[C@@H]1CC[C@H](C)C1 ZINC000361638295 1127578512 /nfs/dbraw/zinc/57/85/12/1127578512.db2.gz BUFPCKCNPXFKGA-UONOGXRCSA-N 0 1 296.480 3.904 20 0 CHADMN C[C@@H]1CCSCCN1Cc1ccc(Cl)c(F)c1 ZINC000361646030 1127579517 /nfs/dbraw/zinc/57/95/17/1127579517.db2.gz UKKKXRDHFLTAAT-SNVBAGLBSA-N 0 1 273.804 3.807 20 0 CHADMN Cc1cnccc1CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000294547364 1127581848 /nfs/dbraw/zinc/58/18/48/1127581848.db2.gz KAKKTDUNYVYTBM-LBPRGKRZSA-N 0 1 276.330 3.861 20 0 CHADMN CC(C)=CCN1CCC(C(=O)c2cccs2)CC1 ZINC000361767873 1127586860 /nfs/dbraw/zinc/58/68/60/1127586860.db2.gz OHFZWVCGIUTTSO-UHFFFAOYSA-N 0 1 263.406 3.609 20 0 CHADMN CC[C@H](N[C@H]1CCOc2ccc(F)cc21)c1ccncc1 ZINC000361753612 1127586868 /nfs/dbraw/zinc/58/68/68/1127586868.db2.gz KWHVBTQKFYCNRR-HOTGVXAUSA-N 0 1 286.350 3.785 20 0 CHADMN CCn1cc([C@@H](C)NCc2ccc(Cl)c(F)c2)cn1 ZINC000294742503 1127595536 /nfs/dbraw/zinc/59/55/36/1127595536.db2.gz CMEBJVUJOWVYNJ-SNVBAGLBSA-N 0 1 281.762 3.546 20 0 CHADMN CCO[C@@H]1CCCN([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000602578884 1127595754 /nfs/dbraw/zinc/59/57/54/1127595754.db2.gz NZBCORXMRMSCCL-DGCLKSJQSA-N 0 1 269.335 3.527 20 0 CHADMN CC(C)O[C@H]1C[C@@H](NCc2ncc(C(C)C)s2)C1(C)C ZINC000361913683 1127598707 /nfs/dbraw/zinc/59/87/07/1127598707.db2.gz KTLUIXAFNHGXLF-KGLIPLIRSA-N 0 1 296.480 3.948 20 0 CHADMN Cc1cnccc1C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000294864605 1127604445 /nfs/dbraw/zinc/60/44/45/1127604445.db2.gz PSSVUSRIDVSTJR-CYBMUJFWSA-N 0 1 256.349 3.709 20 0 CHADMN Cc1cnccc1CN([C@H](C)c1ccco1)C1CC1 ZINC000294864605 1127604447 /nfs/dbraw/zinc/60/44/47/1127604447.db2.gz PSSVUSRIDVSTJR-CYBMUJFWSA-N 0 1 256.349 3.709 20 0 CHADMN C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)CC1CC(F)(F)C1 ZINC000294857139 1127604725 /nfs/dbraw/zinc/60/47/25/1127604725.db2.gz CTTVEHQHZBFPTK-UHFFFAOYSA-N 0 1 291.345 3.554 20 0 CHADMN CN(Cc1nc(-c2ccccc2)c[nH]1)CC1CC(F)(F)C1 ZINC000294857139 1127604727 /nfs/dbraw/zinc/60/47/27/1127604727.db2.gz CTTVEHQHZBFPTK-UHFFFAOYSA-N 0 1 291.345 3.554 20 0 CHADMN COCc1ccc(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)o1 ZINC000295002094 1127613495 /nfs/dbraw/zinc/61/34/95/1127613495.db2.gz LMPIBNPVYJVXCD-QWRGUYRKSA-N 0 1 291.313 3.589 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccc(F)cn2)s1 ZINC000362125091 1127613670 /nfs/dbraw/zinc/61/36/70/1127613670.db2.gz NJOBEBJDZMKUAA-SNVBAGLBSA-N 0 1 264.369 3.695 20 0 CHADMN CC(=O)c1cccc(CN2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000295075256 1127618980 /nfs/dbraw/zinc/61/89/80/1127618980.db2.gz QOSZRRFSDUIEEV-DLBZAZTESA-N 0 1 289.444 3.749 20 0 CHADMN CS[C@@H]1CCN(Cc2ccc(CSC(F)F)o2)C1 ZINC000295100813 1127620416 /nfs/dbraw/zinc/62/04/16/1127620416.db2.gz STOQACDASDQCBZ-LLVKDONJSA-N 0 1 293.404 3.673 20 0 CHADMN CC1=C[C@H](C)C[C@@H](CNCc2ncc(C(F)(F)F)cn2)C1 ZINC000295131243 1127622243 /nfs/dbraw/zinc/62/22/43/1127622243.db2.gz YLGBXOZAMWIBGN-CMPLNLGQSA-N 0 1 299.340 3.577 20 0 CHADMN CCCC[C@H](C)[C@H](C)NCc1ncc(C(F)(F)F)cn1 ZINC000295136526 1127622804 /nfs/dbraw/zinc/62/28/04/1127622804.db2.gz ZEEGRTOAOYEYED-QWRGUYRKSA-N 0 1 289.345 3.800 20 0 CHADMN C[C@@H](NCc1ccc(Cl)o1)c1ccc2c(c1)CCO2 ZINC000060950925 1127625796 /nfs/dbraw/zinc/62/57/96/1127625796.db2.gz ZTJCNLPLJYAHEQ-SNVBAGLBSA-N 0 1 277.751 3.719 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2N[C@@H]1C[C@H](C)n2ccnc21 ZINC000295259364 1127630724 /nfs/dbraw/zinc/63/07/24/1127630724.db2.gz RBPBHRICIZJBEP-AFAVFJNCSA-N 0 1 297.402 3.565 20 0 CHADMN CCS[C@H]1CCC[C@@H]1NCc1csc(Cl)n1 ZINC000295353421 1127636939 /nfs/dbraw/zinc/63/69/39/1127636939.db2.gz QZQZRUXLZCZLJB-UWVGGRQHSA-N 0 1 276.858 3.560 20 0 CHADMN COc1ccnc(CN[C@@H](C)c2cccc(C3CC3)c2)c1 ZINC000295390991 1127640487 /nfs/dbraw/zinc/64/04/87/1127640487.db2.gz LEARYXZGRKMYHH-ZDUSSCGKSA-N 0 1 282.387 3.818 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1cc(F)cc(Cl)c1 ZINC000362506131 1127640681 /nfs/dbraw/zinc/64/06/81/1127640681.db2.gz KSOSULJPWFGUNB-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN c1csc([C@@H]2CCCN2Cc2cnsc2)c1 ZINC001232227917 1127641387 /nfs/dbraw/zinc/64/13/87/1127641387.db2.gz VIQUEKWDGVPUAM-NSHDSACASA-N 0 1 250.392 3.542 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2ccc3ncsc3c2)s1 ZINC000362517955 1127641969 /nfs/dbraw/zinc/64/19/69/1127641969.db2.gz GGGOTSMPOOEJPZ-VIFPVBQESA-N 0 1 289.429 3.912 20 0 CHADMN CCCN(Cc1cnns1)[C@H](CC)c1ccccc1 ZINC000295446883 1127643498 /nfs/dbraw/zinc/64/34/98/1127643498.db2.gz GXOUHKYDYLVMFL-OAHLLOKOSA-N 0 1 275.421 3.901 20 0 CHADMN CCCN(Cc1cnns1)[C@@H](CC)c1ccccc1 ZINC000295446881 1127643617 /nfs/dbraw/zinc/64/36/17/1127643617.db2.gz GXOUHKYDYLVMFL-HNNXBMFYSA-N 0 1 275.421 3.901 20 0 CHADMN CC(=O)c1cccc(CN2CCC(OCC(C)C)CC2)c1 ZINC000295466077 1127643952 /nfs/dbraw/zinc/64/39/52/1127643952.db2.gz IFEVNALJLKHUPB-UHFFFAOYSA-N 0 1 289.419 3.526 20 0 CHADMN FC(F)Cn1cc(CN2CCC[C@H]2c2ccsc2)cn1 ZINC000295458130 1127644194 /nfs/dbraw/zinc/64/41/94/1127644194.db2.gz VRWLYYWAQBWEKT-ZDUSSCGKSA-N 0 1 297.374 3.547 20 0 CHADMN COc1cccc(CNCCO[C@@H]2CCCC[C@@H]2C)c1F ZINC000669679887 1127645925 /nfs/dbraw/zinc/64/59/25/1127645925.db2.gz QDOOFGADOHQMKB-DZGCQCFKSA-N 0 1 295.398 3.519 20 0 CHADMN COCC[C@@H](NCc1csc(C)c1)c1ccc(C)o1 ZINC000295545996 1127646014 /nfs/dbraw/zinc/64/60/14/1127646014.db2.gz XWENHPMTSUXGGJ-CQSZACIVSA-N 0 1 279.405 3.825 20 0 CHADMN CCCCN(CC)Cc1ncc(-c2ccccc2)o1 ZINC000052877774 1127647350 /nfs/dbraw/zinc/64/73/50/1127647350.db2.gz ZSQVUECDULTNFO-UHFFFAOYSA-N 0 1 258.365 3.964 20 0 CHADMN CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000295635690 1127649157 /nfs/dbraw/zinc/64/91/57/1127649157.db2.gz CZMXYOHZJPCHGZ-RKDXNWHRSA-N 0 1 285.746 3.950 20 0 CHADMN COc1cccc(CN[C@H]2CCc3c2cccc3F)c1F ZINC000669680843 1127650235 /nfs/dbraw/zinc/65/02/35/1127650235.db2.gz VUXCHKNRHSOFJO-HNNXBMFYSA-N 0 1 289.325 3.751 20 0 CHADMN COc1cccc(CNC2(c3ccccc3)CC2)c1F ZINC000669681801 1127651516 /nfs/dbraw/zinc/65/15/16/1127651516.db2.gz ARSHVCXDVSVZLT-UHFFFAOYSA-N 0 1 271.335 3.613 20 0 CHADMN Cc1ccc(SCCN[C@@H]2C[C@H](C)n3ccnc32)cc1 ZINC000295788028 1127652921 /nfs/dbraw/zinc/65/29/21/1127652921.db2.gz BJSOJDNJMJYXTK-DZGCQCFKSA-N 0 1 287.432 3.579 20 0 CHADMN CC1(C)C[C@H](NCc2cc(F)ncc2F)c2ccccc21 ZINC000295812920 1127653458 /nfs/dbraw/zinc/65/34/58/1127653458.db2.gz UFCLVIUIQYMEPF-HNNXBMFYSA-N 0 1 288.341 3.872 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(Cl)nc2)cs1 ZINC000295920684 1127657578 /nfs/dbraw/zinc/65/75/78/1127657578.db2.gz JTHPNGPNQACLEC-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN COC(=O)c1coc(CN[C@@H](C)c2cccc(C3CC3)c2)c1 ZINC000295955168 1127658112 /nfs/dbraw/zinc/65/81/12/1127658112.db2.gz HKTFZYPWOWBEAO-LBPRGKRZSA-N 0 1 299.370 3.794 20 0 CHADMN Brc1ccoc1CNCCC1=CCCC1 ZINC000229201680 1127660085 /nfs/dbraw/zinc/66/00/85/1127660085.db2.gz JIEZSHHORJOCNM-UHFFFAOYSA-N 0 1 270.170 3.632 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000296057521 1127661849 /nfs/dbraw/zinc/66/18/49/1127661849.db2.gz RNDTXKGMSPJOMF-CXAGYDPISA-N 0 1 299.418 3.714 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nccn1CC)c1ccc(OC)cc1 ZINC000296048583 1127661947 /nfs/dbraw/zinc/66/19/47/1127661947.db2.gz RANSJAVVYABCTM-XJKSGUPXSA-N 0 1 287.407 3.714 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H](C)c1ccccc1C ZINC000296170566 1127664604 /nfs/dbraw/zinc/66/46/04/1127664604.db2.gz XSLVEFRDTOZSKE-ZIAGYGMSSA-N 0 1 257.381 3.623 20 0 CHADMN C[C@H](NCc1cncc(F)c1)c1cccc(C2CC2)c1 ZINC000296196210 1127665282 /nfs/dbraw/zinc/66/52/82/1127665282.db2.gz YTPCAHKUBGLUGQ-LBPRGKRZSA-N 0 1 270.351 3.949 20 0 CHADMN CCS[C@H]1CCCC[N@@H+](Cc2ncccc2Cl)C1 ZINC000599291827 1127666967 /nfs/dbraw/zinc/66/69/67/1127666967.db2.gz RZINZNIJIAWQCL-LBPRGKRZSA-N 0 1 284.856 3.843 20 0 CHADMN CCS[C@H]1CCCCN(Cc2ncccc2Cl)C1 ZINC000599291827 1127666968 /nfs/dbraw/zinc/66/69/68/1127666968.db2.gz RZINZNIJIAWQCL-LBPRGKRZSA-N 0 1 284.856 3.843 20 0 CHADMN CCn1cc(CN(C)Cc2ccc(C(C)(C)C)cc2)cn1 ZINC000603713593 1127667225 /nfs/dbraw/zinc/66/72/25/1127667225.db2.gz GSTJJQAOVBDDAL-UHFFFAOYSA-N 0 1 285.435 3.833 20 0 CHADMN Cc1cccnc1CCN[C@@H](C)c1csc(C(C)C)n1 ZINC000296317015 1127668776 /nfs/dbraw/zinc/66/87/76/1127668776.db2.gz GRAAFLADOJLUME-ZDUSSCGKSA-N 0 1 289.448 3.863 20 0 CHADMN CC[C@H](N[C@H](C)c1ccc(F)cc1Cl)[C@@H](O)C(F)F ZINC000296325565 1127668845 /nfs/dbraw/zinc/66/88/45/1127668845.db2.gz GZOJUCKYYYBTKQ-VSYUYLJXSA-N 0 1 295.732 3.534 20 0 CHADMN CC(C)[C@@H]1CCc2ccccc2[C@H]1N[C@@H]1CCn2ccnc21 ZINC000296615169 1127678256 /nfs/dbraw/zinc/67/82/56/1127678256.db2.gz YTUKCAPUKIVJLW-JQHSSLGASA-N 0 1 295.430 3.877 20 0 CHADMN FC1(F)CC(CN(Cc2ccco2)Cc2ccco2)C1 ZINC000296614661 1127678765 /nfs/dbraw/zinc/67/87/65/1127678765.db2.gz UIXLGLBPULQPRY-UHFFFAOYSA-N 0 1 281.302 3.920 20 0 CHADMN CC[C@H](CN[C@@H]1C[C@@H](C)n2ccnc21)Oc1cccc(C)c1 ZINC000296690422 1127681920 /nfs/dbraw/zinc/68/19/20/1127681920.db2.gz HDDKNWTUZIALBY-BFYDXBDKSA-N 0 1 299.418 3.645 20 0 CHADMN CC(C)[C@@H](C)N(Cc1cccnc1Cl)C1CC1 ZINC000171077438 1127682988 /nfs/dbraw/zinc/68/29/88/1127682988.db2.gz QTPLJTIGKGZBHK-LLVKDONJSA-N 0 1 252.789 3.744 20 0 CHADMN CC(C)c1nnc(CN2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)o1 ZINC000296810553 1127683073 /nfs/dbraw/zinc/68/30/73/1127683073.db2.gz RKLXBFXOTGSIGX-IIAWOOMASA-N 0 1 299.418 3.960 20 0 CHADMN CC(C)n1ncnc1CN1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000296634308 1127679406 /nfs/dbraw/zinc/67/94/06/1127679406.db2.gz HXJJXVXIWDIQOR-INMHGKMJSA-N 0 1 298.434 3.626 20 0 CHADMN CC1(C)CC[C@H](N[C@H]2CCn3ccnc32)c2ccccc21 ZINC000296644189 1127679996 /nfs/dbraw/zinc/67/99/96/1127679996.db2.gz CYKOABGQEOIXTK-HOTGVXAUSA-N 0 1 281.403 3.730 20 0 CHADMN CC(C)(C)c1nc(CNc2ccc3cnccc3c2)no1 ZINC000296644243 1127680016 /nfs/dbraw/zinc/68/00/16/1127680016.db2.gz DACAKURYLFAAFP-UHFFFAOYSA-N 0 1 282.347 3.527 20 0 CHADMN CC[C@@H](NCc1cc(C)n[nH]1)c1ccc(Cl)s1 ZINC000603949222 1127684662 /nfs/dbraw/zinc/68/46/62/1127684662.db2.gz BGEVTCOJHUGPNU-SNVBAGLBSA-N 0 1 269.801 3.674 20 0 CHADMN C[C@H]1C[C@H](N2CCC(Cc3ccccc3)CC2)c2nccn21 ZINC000296865693 1127684748 /nfs/dbraw/zinc/68/47/48/1127684748.db2.gz NSNQLERIMLACNK-YJBOKZPZSA-N 0 1 295.430 3.844 20 0 CHADMN CCCC[C@H](C)N(CCCC)C(=O)NCc1cn[nH]c1C ZINC000297089633 1127688846 /nfs/dbraw/zinc/68/88/46/1127688846.db2.gz MRKOCXYLBKMTJF-ZDUSSCGKSA-N 0 1 294.443 3.609 20 0 CHADMN Cc1ccccc1[C@@H](N[C@H]1CCn2ccnc21)C(C)C ZINC000297495655 1127697469 /nfs/dbraw/zinc/69/74/69/1127697469.db2.gz BRLABNQJRFUKHW-HOTGVXAUSA-N 0 1 269.392 3.623 20 0 CHADMN C[C@H](CN[C@H]1C[C@@H](C)n2ccnc21)Sc1ccccc1 ZINC000297524151 1127698152 /nfs/dbraw/zinc/69/81/52/1127698152.db2.gz DFGKTBHRVZYDCW-NFAWXSAZSA-N 0 1 287.432 3.659 20 0 CHADMN Nc1cc(C[N@H+]2CCC[C@H]2c2ccccc2Cl)ccn1 ZINC000297747077 1127706541 /nfs/dbraw/zinc/70/65/41/1127706541.db2.gz CWNJMQMUDNXRKR-HNNXBMFYSA-N 0 1 287.794 3.654 20 0 CHADMN Nc1cc(CN2CCC[C@H]2c2ccccc2Cl)ccn1 ZINC000297747077 1127706544 /nfs/dbraw/zinc/70/65/44/1127706544.db2.gz CWNJMQMUDNXRKR-HNNXBMFYSA-N 0 1 287.794 3.654 20 0 CHADMN CCN(CCSC)[C@H](C)c1cc(F)ccc1F ZINC000604503451 1127708343 /nfs/dbraw/zinc/70/83/43/1127708343.db2.gz UCTRRCMWPXRIKP-SNVBAGLBSA-N 0 1 259.365 3.711 20 0 CHADMN C[C@@H]1C[C@H](NCC2(Sc3ccccc3)CC2)c2nccn21 ZINC000297826167 1127709546 /nfs/dbraw/zinc/70/95/46/1127709546.db2.gz RPGXSPVCSZHDHO-HIFRSBDPSA-N 0 1 299.443 3.803 20 0 CHADMN Oc1cccc(CN[C@@H]2CCCc3nc(Cl)ccc32)c1 ZINC000297839481 1127710405 /nfs/dbraw/zinc/71/04/05/1127710405.db2.gz SIRIPGGNIKWFDK-CQSZACIVSA-N 0 1 288.778 3.608 20 0 CHADMN CC[C@@H](N)c1cc(-c2ccccc2Br)no1 ZINC000229869717 1127711739 /nfs/dbraw/zinc/71/17/39/1127711739.db2.gz LOXWEZANMFVANY-SNVBAGLBSA-N 0 1 281.153 3.514 20 0 CHADMN CCC[C@@H](N)c1cc(-c2ccc(Br)cc2)no1 ZINC000229873484 1127711974 /nfs/dbraw/zinc/71/19/74/1127711974.db2.gz SHLYLEMUMNXWFG-LLVKDONJSA-N 0 1 295.180 3.904 20 0 CHADMN Cc1cc(F)ccc1C1CCN([C@H](C)c2cnccn2)CC1 ZINC000298231443 1127716989 /nfs/dbraw/zinc/71/69/89/1127716989.db2.gz HLWQUDJNYHXYLS-CQSZACIVSA-N 0 1 299.393 3.865 20 0 CHADMN CC(=O)Nc1cccc(CN2CCc3c(C)cccc3C2)c1 ZINC000171609395 1127717052 /nfs/dbraw/zinc/71/70/52/1127717052.db2.gz AVCKHICCGBVIEY-UHFFFAOYSA-N 0 1 294.398 3.512 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(OC)cc2OC)cc1 ZINC000604996900 1127723940 /nfs/dbraw/zinc/72/39/40/1127723940.db2.gz RBCNKNQPNFLTBL-UHFFFAOYSA-N 0 1 299.414 3.898 20 0 CHADMN Brc1ccc(CN2CC[C@@H](c3ccco3)C2)o1 ZINC000365270188 1127724810 /nfs/dbraw/zinc/72/48/10/1127724810.db2.gz ULPPPHMZBRCGGP-SNVBAGLBSA-N 0 1 296.164 3.625 20 0 CHADMN CC1(C)CN(CCc2c(F)cccc2Cl)CCCO1 ZINC000604999656 1127725091 /nfs/dbraw/zinc/72/50/91/1127725091.db2.gz GNGLWMUUPUXQPQ-UHFFFAOYSA-N 0 1 285.790 3.523 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCCOC(C)(C)C1 ZINC000604999328 1127725137 /nfs/dbraw/zinc/72/51/37/1127725137.db2.gz GJLHTTUCTLGZEP-NSHDSACASA-N 0 1 269.335 3.527 20 0 CHADMN CC1(C)CN(Cc2ccccc2C(F)(F)F)CCCO1 ZINC000605000175 1127726184 /nfs/dbraw/zinc/72/61/84/1127726184.db2.gz SZJPAQJAKRTQSZ-UHFFFAOYSA-N 0 1 287.325 3.706 20 0 CHADMN CC(C)[C@H](CN1CCC[C@H]1c1ncon1)c1ccccc1 ZINC000365427069 1127728871 /nfs/dbraw/zinc/72/88/71/1127728871.db2.gz ZFGXQBIEDJADLY-HOTGVXAUSA-N 0 1 285.391 3.646 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cc4occc4s3)cc2[nH]1 ZINC000605497449 1127741108 /nfs/dbraw/zinc/74/11/08/1127741108.db2.gz JTPAAAYWUBQZGJ-UHFFFAOYSA-N 0 1 297.339 3.931 20 0 CHADMN CCCC[C@@H](COC)Nc1ccnc2cc(F)ccc21 ZINC000605572085 1127743164 /nfs/dbraw/zinc/74/31/64/1127743164.db2.gz QDTJLBNPJPXXDO-ZDUSSCGKSA-N 0 1 276.355 3.991 20 0 CHADMN C[C@H]1CCCN(Cc2c(Cl)ccnc2F)C[C@H]1C ZINC001232614050 1127758830 /nfs/dbraw/zinc/75/88/30/1127758830.db2.gz AVQPOLKRHYBRHF-WDEREUQCSA-N 0 1 270.779 3.742 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N1C[C@H](C)OC(C)(C)C1 ZINC000606431950 1127761831 /nfs/dbraw/zinc/76/18/31/1127761831.db2.gz LFPKQWSARZYVAE-SWLSCSKDSA-N 0 1 265.372 3.776 20 0 CHADMN Cc1cccc(C)c1CN1CCn2cccc2[C@@H]1C ZINC000606431106 1127762023 /nfs/dbraw/zinc/76/20/23/1127762023.db2.gz VSMIZVPNDSCMGY-HNNXBMFYSA-N 0 1 254.377 3.682 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1Cc1nnc(C(C)C)o1 ZINC000606433940 1127762103 /nfs/dbraw/zinc/76/21/03/1127762103.db2.gz DATZQQSIWGGECG-STQMWFEESA-N 0 1 265.401 3.594 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000543808429 1127765123 /nfs/dbraw/zinc/76/51/23/1127765123.db2.gz OUASJFYHTMKXBJ-PBFPGSCMSA-N 0 1 291.439 3.940 20 0 CHADMN CC(C)CCOCCN1CCc2cccc(F)c2[C@H]1C ZINC000606540948 1127766703 /nfs/dbraw/zinc/76/67/03/1127766703.db2.gz RSHVNCXBMBUJSY-CQSZACIVSA-N 0 1 279.399 3.808 20 0 CHADMN COc1c(C)cnc(CN2C[C@H](C)[C@@H]2c2ccccc2)c1C ZINC000409447098 1127768610 /nfs/dbraw/zinc/76/86/10/1127768610.db2.gz QLIMMZWGLFYSQH-KBXCAEBGSA-N 0 1 296.414 3.900 20 0 CHADMN COC(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccc(C)s2)o1 ZINC000230635735 1127769636 /nfs/dbraw/zinc/76/96/36/1127769636.db2.gz ROXXCXXYFSGBPN-MNOVXSKESA-N 0 1 293.388 3.848 20 0 CHADMN CC(C)(C)c1cnc(CN2CCC[C@H]3CCC[C@H]32)o1 ZINC000409445733 1127769952 /nfs/dbraw/zinc/76/99/52/1127769952.db2.gz BTLNEAZKRGLKLI-CHWSQXEVSA-N 0 1 262.397 3.737 20 0 CHADMN CCCCc1noc(CN2CCCCC[C@H]2CC)n1 ZINC000409445933 1127770763 /nfs/dbraw/zinc/77/07/63/1127770763.db2.gz PUZXKVXFGMBXHW-CYBMUJFWSA-N 0 1 265.401 3.567 20 0 CHADMN CC[C@@H]1CCCCCN1Cc1nc(CCC(C)C)no1 ZINC000606936947 1127784019 /nfs/dbraw/zinc/78/40/19/1127784019.db2.gz SRSRIJCEIBIRAG-CQSZACIVSA-N 0 1 279.428 3.813 20 0 CHADMN Brc1ccc(CN2CCC[C@H]3CCC[C@H]32)[nH]1 ZINC001232688641 1127785587 /nfs/dbraw/zinc/78/55/87/1127785587.db2.gz XXZKNNQQEGGUOQ-ZYHUDNBSSA-N 0 1 283.213 3.542 20 0 CHADMN CCCc1cc(C(=O)N2CCCCC[C@@H]2CC(C)C)n[nH]1 ZINC000607129787 1127791655 /nfs/dbraw/zinc/79/16/55/1127791655.db2.gz RSZZZBHHYZNJOY-OAHLLOKOSA-N 0 1 291.439 3.793 20 0 CHADMN COCCN(CCC(F)(F)F)Cc1ccc(C)cc1C ZINC000607151374 1127792948 /nfs/dbraw/zinc/79/29/48/1127792948.db2.gz LPAAKLNFJBHADZ-UHFFFAOYSA-N 0 1 289.341 3.704 20 0 CHADMN c1cc(CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)no1 ZINC000607150870 1127793183 /nfs/dbraw/zinc/79/31/83/1127793183.db2.gz HCBWLGRURPCFNW-AWEZNQCLSA-N 0 1 281.359 3.536 20 0 CHADMN CC(C)CCc1nc(CN2C[C@@H](C)C[C@@H]2C)cs1 ZINC000607192845 1127796118 /nfs/dbraw/zinc/79/61/18/1127796118.db2.gz ZLAVVBBJDXWTME-STQMWFEESA-N 0 1 266.454 3.962 20 0 CHADMN CC(C)c1ccc(CN(C)C[C@](C)(O)C(F)(F)F)cc1 ZINC000410313213 1127803913 /nfs/dbraw/zinc/80/39/13/1127803913.db2.gz LLBXXFKPZQNNPD-AWEZNQCLSA-N 0 1 289.341 3.555 20 0 CHADMN Cc1oncc1CN1CCC(OC2CCC(C)CC2)CC1 ZINC000372595701 1127805868 /nfs/dbraw/zinc/80/58/68/1127805868.db2.gz QIXBYHCJDXOVAW-UHFFFAOYSA-N 0 1 292.423 3.543 20 0 CHADMN Cc1nc(C2(NC[C@@H](C)CC(C)C)CCCCC2)no1 ZINC000410427694 1127808976 /nfs/dbraw/zinc/80/89/76/1127808976.db2.gz XSHGILGOPJAXEH-ZDUSSCGKSA-N 0 1 279.428 3.809 20 0 CHADMN C[C@@H]1CCCN(Cc2ccn(-c3cccc(F)c3)n2)[C@H]1C ZINC000607740832 1127822107 /nfs/dbraw/zinc/82/21/07/1127822107.db2.gz YFNJULVKXZAGPI-KGLIPLIRSA-N 0 1 287.382 3.632 20 0 CHADMN CCCCCN1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000607746856 1127824048 /nfs/dbraw/zinc/82/40/48/1127824048.db2.gz VBAVOAXWOKUULZ-XJKSGUPXSA-N 0 1 265.372 3.778 20 0 CHADMN Clc1ccc2c(c1)OCCC[C@@H]2NCc1ccoc1 ZINC000373212418 1127828292 /nfs/dbraw/zinc/82/82/92/1127828292.db2.gz PXQNPFQLVINSJF-AWEZNQCLSA-N 0 1 277.751 3.937 20 0 CHADMN Cc1cccc(OCCN(C)Cc2cccc(Cl)n2)c1 ZINC000173481686 1127833017 /nfs/dbraw/zinc/83/30/17/1127833017.db2.gz UKLNICWPTYLPRJ-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN Cc1nc([C@@H](C)N(C)Cc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000411177292 1127844518 /nfs/dbraw/zinc/84/45/18/1127844518.db2.gz YMWRBIXUYHOIDY-MRVPVSSYSA-N 0 1 299.205 3.613 20 0 CHADMN Cc1ncsc1C[N@H+](C)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411272589 1127850961 /nfs/dbraw/zinc/85/09/61/1127850961.db2.gz IAZBGGBIJQDLAG-UONOGXRCSA-N 0 1 276.380 3.579 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2ccnc(C)n2)cc1 ZINC000373641169 1127855473 /nfs/dbraw/zinc/85/54/73/1127855473.db2.gz ARPGOMXXVILLAP-SFHVURJKSA-N 0 1 281.403 3.821 20 0 CHADMN CC(C)[C@@H](NCc1ccnc(N)c1)c1ccccc1Cl ZINC000411475491 1127861985 /nfs/dbraw/zinc/86/19/85/1127861985.db2.gz ZZCNRFSPRDWXNY-MRXNPFEDSA-N 0 1 289.810 3.634 20 0 CHADMN COC[C@@H](N[C@H]1C[C@H]1c1cccc(F)c1)c1ccc(C)o1 ZINC000411517083 1127862869 /nfs/dbraw/zinc/86/28/69/1127862869.db2.gz ZLNDWAWPULXUCK-HRCADAONSA-N 0 1 289.350 3.560 20 0 CHADMN COC[C@H](N[C@H]1C[C@H]1c1cccc(F)c1)c1ccc(C)o1 ZINC000411517085 1127863053 /nfs/dbraw/zinc/86/30/53/1127863053.db2.gz ZLNDWAWPULXUCK-JYJNAYRXSA-N 0 1 289.350 3.560 20 0 CHADMN CCc1ccc(CN2C[C@@H](C)C[C@H]2c2cccnc2)nc1 ZINC000411523579 1127863329 /nfs/dbraw/zinc/86/33/29/1127863329.db2.gz IOBALWSBKCMGJA-KSSFIOAISA-N 0 1 281.403 3.622 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCN1[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411656232 1127867464 /nfs/dbraw/zinc/86/74/64/1127867464.db2.gz ACQQEMPTVWENKI-PCDDKUFXSA-N 0 1 287.300 3.954 20 0 CHADMN CN(Cc1cc(C(C)(C)C)n[nH]1)[C@H]1C[C@@H]1c1ccccc1 ZINC000411653676 1127867676 /nfs/dbraw/zinc/86/76/76/1127867676.db2.gz WXBLLIOWOUBWRU-CVEARBPZSA-N 0 1 283.419 3.695 20 0 CHADMN CCc1ccc(CN[C@H]2CCCc3c(O)cccc32)nc1 ZINC000411623422 1127868217 /nfs/dbraw/zinc/86/82/17/1127868217.db2.gz RPIPHMYPWMYTPR-KRWDZBQOSA-N 0 1 282.387 3.517 20 0 CHADMN CC1(C)CN([C@@H]2C[C@H]2c2cccc(F)c2)[C@@H]1[C@@H]1CCCO1 ZINC000411750885 1127872686 /nfs/dbraw/zinc/87/26/86/1127872686.db2.gz NEAGXPQIMYSXIC-VVLHAWIVSA-N 0 1 289.394 3.571 20 0 CHADMN CC1(C)CN([C@@H]2C[C@H]2c2cccc(F)c2)[C@@H]1[C@H]1CCCO1 ZINC000411750887 1127873422 /nfs/dbraw/zinc/87/34/22/1127873422.db2.gz NEAGXPQIMYSXIC-YLFCFFPRSA-N 0 1 289.394 3.571 20 0 CHADMN Clc1cccc(CN2CCC(OCC3CC3)CC2)c1 ZINC000374143755 1127875877 /nfs/dbraw/zinc/87/58/77/1127875877.db2.gz UEMSHWQWSSBQCG-UHFFFAOYSA-N 0 1 279.811 3.731 20 0 CHADMN CCC(C)(C)CC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000608587222 1127879312 /nfs/dbraw/zinc/87/93/12/1127879312.db2.gz DEHUMOSFSQDFLL-UHFFFAOYSA-N 0 1 293.798 3.659 20 0 CHADMN C[C@@H](c1csnn1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411975687 1127882635 /nfs/dbraw/zinc/88/26/35/1127882635.db2.gz BYHUTEOVZGAATE-ZFWWWQNUSA-N 0 1 299.443 3.869 20 0 CHADMN Clc1ccc(CN2CCC3(CCCC3)C2)cn1 ZINC000174271014 1127884607 /nfs/dbraw/zinc/88/46/07/1127884607.db2.gz BHZQDTXZNZTXKI-UHFFFAOYSA-N 0 1 250.773 3.501 20 0 CHADMN Cc1ccccc1-c1noc(CN2CC[C@H](CC(C)C)C2)n1 ZINC000608746450 1127884825 /nfs/dbraw/zinc/88/48/25/1127884825.db2.gz USOXNYHRVWEUEP-OAHLLOKOSA-N 0 1 299.418 3.913 20 0 CHADMN Cc1ccc(NC(=O)CN2CCC3(CCCC3)C2)c(C)c1 ZINC000174276113 1127887241 /nfs/dbraw/zinc/88/72/41/1127887241.db2.gz AUDYELPSRYADIT-UHFFFAOYSA-N 0 1 286.419 3.508 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N(C)C[C@H]1CCCCO1 ZINC000608756671 1127887822 /nfs/dbraw/zinc/88/78/22/1127887822.db2.gz KVAGGRILIHIGOH-CJNGLKHVSA-N 0 1 283.362 3.917 20 0 CHADMN CCc1nc(C)c(C[N@H+](CC)C2CC(C)(C)C2)o1 ZINC000412032129 1127890147 /nfs/dbraw/zinc/89/01/47/1127890147.db2.gz GVVOOUGYTUAZNA-UHFFFAOYSA-N 0 1 250.386 3.556 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CC(C)(C)C[C@H]1C ZINC000412030506 1127891941 /nfs/dbraw/zinc/89/19/41/1127891941.db2.gz ZMWVYRRZBQMSHI-CQSZACIVSA-N 0 1 288.435 3.869 20 0 CHADMN COc1ccc(CN(C)Cc2cc(C)c(C)cc2OC)cc1 ZINC001238758429 1131241575 /nfs/dbraw/zinc/24/15/75/1131241575.db2.gz RMDFENABJRMJJJ-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN CCC(O)(CC)C[N@@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000626110230 1127898921 /nfs/dbraw/zinc/89/89/21/1127898921.db2.gz SYHWJWJUXUGKAY-NSHDSACASA-N 0 1 271.351 3.509 20 0 CHADMN Cc1ccc(C[C@H]2CCCN([C@H](C)c3ncccn3)C2)cc1 ZINC000929424700 1127900441 /nfs/dbraw/zinc/90/04/41/1127900441.db2.gz NGPBICYKBIVWHP-SJLPKXTDSA-N 0 1 295.430 3.801 20 0 CHADMN Cc1ncc(F)cc1CN(Cc1ccccc1)C1CC1 ZINC001232991020 1127906781 /nfs/dbraw/zinc/90/67/81/1127906781.db2.gz TVVAQZXYMONEHS-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN Fc1cc(Br)cc(CN2CC[C@@H](C3CC3)C2)c1 ZINC000400054292 1127915879 /nfs/dbraw/zinc/91/58/79/1127915879.db2.gz YLECDGQBGMBXDY-GFCCVEGCSA-N 0 1 298.199 3.820 20 0 CHADMN C[C@H]1CCCC[C@@H]1OCCN1CCc2ccsc2C1 ZINC000535575527 1127920619 /nfs/dbraw/zinc/92/06/19/1127920619.db2.gz HMNGRZWPQUNTDS-ZFWWWQNUSA-N 0 1 279.449 3.702 20 0 CHADMN C[N@H+](Cc1cccc(F)c1)C[C@@H](O)c1cccc(Cl)c1 ZINC000174654890 1127928004 /nfs/dbraw/zinc/92/80/04/1127928004.db2.gz ITGFAYKEIBVYPV-MRXNPFEDSA-N 0 1 293.769 3.645 20 0 CHADMN C[C@@H](N[C@H](C)c1ccsc1)C(=O)Nc1cccc(F)c1 ZINC000669829020 1127928255 /nfs/dbraw/zinc/92/82/55/1127928255.db2.gz XZSGIWLEDUTSDT-GHMZBOCLSA-N 0 1 292.379 3.565 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CCC[C@H]1C(C)(C)C ZINC000412831647 1127929899 /nfs/dbraw/zinc/92/98/99/1127929899.db2.gz WMWKYRRGPKUCSM-OLZOCXBDSA-N 0 1 291.439 3.786 20 0 CHADMN O=C(CCC1CCC1)Nc1cccc2c1CN(C1CC1)C2 ZINC000375237010 1127935933 /nfs/dbraw/zinc/93/59/33/1127935933.db2.gz LQTZBXFUANIIDT-UHFFFAOYSA-N 0 1 284.403 3.683 20 0 CHADMN COCC1(N[C@@H](C)c2ccc(-c3ccccc3)o2)CC1 ZINC000539651520 1127934426 /nfs/dbraw/zinc/93/44/26/1127934426.db2.gz OSYLSLCOFGTVBX-ZDUSSCGKSA-N 0 1 271.360 3.776 20 0 CHADMN Cc1ccc2nc(S[C@@H]3CCOC(C)(C)C3)[nH]c2c1 ZINC000412980381 1127934959 /nfs/dbraw/zinc/93/49/59/1127934959.db2.gz RZLVPJXGHYHCIW-LLVKDONJSA-N 0 1 276.405 3.921 20 0 CHADMN Cc1nc([C@@H](C)S[C@H]2CCCc3ccccc32)n[nH]1 ZINC000412992827 1127936363 /nfs/dbraw/zinc/93/63/63/1127936363.db2.gz NBCKIVBHRKKPNA-YGRLFVJLSA-N 0 1 273.405 3.985 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000380175799 1127936374 /nfs/dbraw/zinc/93/63/74/1127936374.db2.gz BZCFJAQHFDVQOR-TUKIKUTGSA-N 0 1 295.810 3.834 20 0 CHADMN CCC[C@H](O)CSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000413005962 1127938758 /nfs/dbraw/zinc/93/87/58/1127938758.db2.gz NPMRBSLVZTWGNW-ZDUSSCGKSA-N 0 1 276.405 3.638 20 0 CHADMN CCCC[C@H](CC)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000539780563 1127940091 /nfs/dbraw/zinc/94/00/91/1127940091.db2.gz CIZOLZGJSSQWFZ-AWEZNQCLSA-N 0 1 291.439 3.641 20 0 CHADMN C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc([S-])cc1 ZINC001233261702 1127941157 /nfs/dbraw/zinc/94/11/57/1127941157.db2.gz ACLBCTQXZAZBDO-ZDUSSCGKSA-N 0 1 269.413 3.922 20 0 CHADMN Fc1cc(F)cc(CN2CC[C@H]2Cc2ccccc2)c1 ZINC000539823820 1127941358 /nfs/dbraw/zinc/94/13/58/1127941358.db2.gz SIGBQEPFSXHUIL-KRWDZBQOSA-N 0 1 273.326 3.782 20 0 CHADMN Cc1nc([C@@H](C)SCc2cc(C)cc(C)c2)n[nH]1 ZINC000412994223 1127936206 /nfs/dbraw/zinc/93/62/06/1127936206.db2.gz ALOHEPBAQUDODG-LLVKDONJSA-N 0 1 261.394 3.724 20 0 CHADMN c1c[nH]c([C@@H]2CCC[N@@H+]2CCCCCOc2ccccc2)n1 ZINC000375345862 1127941837 /nfs/dbraw/zinc/94/18/37/1127941837.db2.gz SIUXFEFYRORMQO-KRWDZBQOSA-N 0 1 299.418 3.796 20 0 CHADMN c1c[nH]c([C@@H]2CCCN2CCCCCOc2ccccc2)n1 ZINC000375345862 1127941839 /nfs/dbraw/zinc/94/18/39/1127941839.db2.gz SIUXFEFYRORMQO-KRWDZBQOSA-N 0 1 299.418 3.796 20 0 CHADMN FC(F)Oc1ccc(CN2CCc3ccsc3C2)cc1 ZINC000539837261 1127946606 /nfs/dbraw/zinc/94/66/06/1127946606.db2.gz MOIHPZVTMCBRDU-UHFFFAOYSA-N 0 1 295.354 3.908 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1ncccc1C)[C@H]2C ZINC000543847148 1127949156 /nfs/dbraw/zinc/94/91/56/1127949156.db2.gz RXQJLASGQYGKIJ-GJZGRUSLSA-N 0 1 296.414 3.906 20 0 CHADMN COc1ccccc1CN1C[C@H](C)[C@H]1c1ccccc1 ZINC000539863541 1127949390 /nfs/dbraw/zinc/94/93/90/1127949390.db2.gz TUQAHCUFVLGCEP-KSSFIOAISA-N 0 1 267.372 3.888 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1ncccc1C)[C@@H]2C ZINC000543847149 1127949717 /nfs/dbraw/zinc/94/97/17/1127949717.db2.gz RXQJLASGQYGKIJ-HUUCEWRRSA-N 0 1 296.414 3.906 20 0 CHADMN CCc1ccc(NC(=O)c2cccc3cn[nH]c32)cc1C ZINC000539908907 1127953518 /nfs/dbraw/zinc/95/35/18/1127953518.db2.gz VMMBAAFNCKPAPU-UHFFFAOYSA-N 0 1 279.343 3.686 20 0 CHADMN Cc1ccoc1CN1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000539927161 1127953814 /nfs/dbraw/zinc/95/38/14/1127953814.db2.gz MASABJMLXATLFF-CQSZACIVSA-N 0 1 293.407 3.532 20 0 CHADMN C[C@]1(F)CCN(Cc2cccc(OC(F)(F)F)c2)C1 ZINC000539923984 1127954923 /nfs/dbraw/zinc/95/49/23/1127954923.db2.gz QNBKXIPDKGFRSO-LBPRGKRZSA-N 0 1 277.261 3.519 20 0 CHADMN CCc1oc2ccccc2c1CNCc1conc1C ZINC000397988420 1127962335 /nfs/dbraw/zinc/96/23/35/1127962335.db2.gz LFZGRQDNRRMCPU-UHFFFAOYSA-N 0 1 270.332 3.581 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](CO)c2cccc(F)c2)cc1 ZINC000540189745 1127967395 /nfs/dbraw/zinc/96/73/95/1127967395.db2.gz QZMPXWCIYWYXDF-SUMWQHHRSA-N 0 1 273.351 3.518 20 0 CHADMN C[C@@H](Cc1ccsc1)NCc1nnc(C(C)(C)C)s1 ZINC000540156930 1127964929 /nfs/dbraw/zinc/96/49/29/1127964929.db2.gz LSPJJMBECLMZKP-JTQLQIEISA-N 0 1 295.477 3.618 20 0 CHADMN CC[C@@H](N[C@H](CO)c1cccc(F)c1)c1cccs1 ZINC000540184979 1127968191 /nfs/dbraw/zinc/96/81/91/1127968191.db2.gz XVTCPRNKIZVLIV-ZIAGYGMSSA-N 0 1 279.380 3.662 20 0 CHADMN Cn1nccc1[C@H]1CCCCN1C/C=C\c1ccc(F)cc1 ZINC000467538645 1127972973 /nfs/dbraw/zinc/97/29/73/1127972973.db2.gz XOHXONBCLDWHQT-PYTPGESOSA-N 0 1 299.393 3.800 20 0 CHADMN CC(C)OC1CC(Nc2ccc(Cl)c(CN(C)C)c2)C1 ZINC000467549758 1127973313 /nfs/dbraw/zinc/97/33/13/1127973313.db2.gz CNOVKZCQCWECKC-UHFFFAOYSA-N 0 1 296.842 3.770 20 0 CHADMN CC[C@@H](N[C@H](C)c1cc(C)sc1C)c1ccn(C)n1 ZINC000544580355 1127977450 /nfs/dbraw/zinc/97/74/50/1127977450.db2.gz ROSBANJSHPXXFR-BXUZGUMPSA-N 0 1 277.437 3.900 20 0 CHADMN Cc1cc(CN[C@H](c2cccc(F)c2)C(C)(C)C)on1 ZINC000540427736 1127978719 /nfs/dbraw/zinc/97/87/19/1127978719.db2.gz BEXZFSSHBYGLJG-OAHLLOKOSA-N 0 1 276.355 3.999 20 0 CHADMN c1sc(CN2CCN(C3CC3)CC2)cc1-c1ccccc1 ZINC000506478210 1127978784 /nfs/dbraw/zinc/97/87/84/1127978784.db2.gz SMWOBUYGOKGOJS-UHFFFAOYSA-N 0 1 298.455 3.695 20 0 CHADMN CCC[C@@H](C)CN(Cc1cc[nH]n1)Cc1ccccc1 ZINC000540496310 1127980742 /nfs/dbraw/zinc/98/07/42/1127980742.db2.gz NHSDEPJNRPHYTI-OAHLLOKOSA-N 0 1 271.408 3.848 20 0 CHADMN CC(C)[C@H]1CCN1Cc1cnc(C(C)(C)C)s1 ZINC000540503277 1127982609 /nfs/dbraw/zinc/98/26/09/1127982609.db2.gz BWOWBVJVCXTKCR-GFCCVEGCSA-N 0 1 252.427 3.671 20 0 CHADMN CCS[C@H]1CCC[C@@H]1NCc1coc(C(C)(C)C)n1 ZINC000930437774 1127982745 /nfs/dbraw/zinc/98/27/45/1127982745.db2.gz BFLTYTAAAZJBNS-STQMWFEESA-N 0 1 282.453 3.736 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)N1CCOCC2(CCC2)C1 ZINC000544761914 1127983909 /nfs/dbraw/zinc/98/39/09/1127983909.db2.gz XSFFIWJNHHSQSQ-ZDUSSCGKSA-N 0 1 279.811 3.904 20 0 CHADMN COc1ccc(C[C@@H](C)CNc2cccc(C)n2)cc1F ZINC000545010186 1127996588 /nfs/dbraw/zinc/99/65/88/1127996588.db2.gz APGGUWYRJAKRAJ-GFCCVEGCSA-N 0 1 288.366 3.828 20 0 CHADMN C[C@H](c1ncccn1)N1CCC[C@](C)(c2ccccc2)C1 ZINC000929641077 1127999265 /nfs/dbraw/zinc/99/92/65/1127999265.db2.gz MJGFSEAQOFYZLH-QAPCUYQASA-N 0 1 281.403 3.591 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)NCc1ccc(CO)cc1 ZINC000540911764 1127999940 /nfs/dbraw/zinc/99/99/40/1127999940.db2.gz RGHZLZRGYIHXDV-OAHLLOKOSA-N 0 1 299.414 3.817 20 0 CHADMN CCN(C)c1ccccc1CN[C@@H](C)c1cnc(C)s1 ZINC000761441256 1127994994 /nfs/dbraw/zinc/99/49/94/1127994994.db2.gz WOELPSNFYJEFSM-LBPRGKRZSA-N 0 1 289.448 3.758 20 0 CHADMN CC(C)CN(Cc1cccn1C)Cc1ccccc1F ZINC000507767141 1128004498 /nfs/dbraw/zinc/00/44/98/1128004498.db2.gz AXGWGJVOJAATHE-UHFFFAOYSA-N 0 1 274.383 3.822 20 0 CHADMN C[C@@H]1CC[C@]2(CCN(Cc3ncc(C(C)(C)C)o3)C2)C1 ZINC000541019229 1128005600 /nfs/dbraw/zinc/00/56/00/1128005600.db2.gz CUAOLEKJMHEBSV-DYVFJYSZSA-N 0 1 276.424 3.984 20 0 CHADMN CC(C)=CCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000545277541 1128009025 /nfs/dbraw/zinc/00/90/25/1128009025.db2.gz VUIZVOBVLWDLGI-GFCCVEGCSA-N 0 1 251.320 3.720 20 0 CHADMN C[C@@H]1CN([C@H]2CCc3ccc(Cl)cc32)CCS1 ZINC000541348130 1128019702 /nfs/dbraw/zinc/01/97/02/1128019702.db2.gz LMDVQSQEXMEZMA-YGRLFVJLSA-N 0 1 267.825 3.765 20 0 CHADMN CCN(CCC1CC1)CC(=O)Nc1cccc2ccccc21 ZINC000545518938 1128018204 /nfs/dbraw/zinc/01/82/04/1128018204.db2.gz HWXUXGVUWUAUKZ-UHFFFAOYSA-N 0 1 296.414 3.900 20 0 CHADMN Fc1cccc(CC[N@H+]2CCc3ccsc3C2)c1F ZINC000541329495 1128018672 /nfs/dbraw/zinc/01/86/72/1128018672.db2.gz DIFROIGBSMQAAQ-UHFFFAOYSA-N 0 1 279.355 3.627 20 0 CHADMN Fc1cccc(CCN2CCc3ccsc3C2)c1F ZINC000541329495 1128018677 /nfs/dbraw/zinc/01/86/77/1128018677.db2.gz DIFROIGBSMQAAQ-UHFFFAOYSA-N 0 1 279.355 3.627 20 0 CHADMN CO[C@@H]1CCC[C@@H]1Sc1nc2ccc(C)cc2[nH]1 ZINC000541409571 1128022762 /nfs/dbraw/zinc/02/27/62/1128022762.db2.gz XVHSRWIQHBCHNS-OLZOCXBDSA-N 0 1 262.378 3.531 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)CCCC3)CO2 ZINC000491318655 1128021979 /nfs/dbraw/zinc/02/19/79/1128021979.db2.gz BDBSOAPQHDIJDF-SFHVURJKSA-N 0 1 297.373 3.928 20 0 CHADMN CC[C@H]1CCC[C@@H](CN(C)Cc2cscn2)C1 ZINC000541536457 1128026718 /nfs/dbraw/zinc/02/67/18/1128026718.db2.gz VGNJZHLVVKMEBR-QWHCGFSZSA-N 0 1 252.427 3.791 20 0 CHADMN CC(C)C[C@@H]1CCCN(Cc2ccn(C(C)C)n2)C1 ZINC000468873359 1128025766 /nfs/dbraw/zinc/02/57/66/1128025766.db2.gz HXSZJWWEOLHCHT-HNNXBMFYSA-N 0 1 263.429 3.722 20 0 CHADMN CC[C@H](NCCOC1CCCCCC1)c1nccs1 ZINC000541595297 1128029479 /nfs/dbraw/zinc/02/94/79/1128029479.db2.gz SOLOUGLSKLUMMA-AWEZNQCLSA-N 0 1 282.453 3.923 20 0 CHADMN CCCSCc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000545732972 1128030428 /nfs/dbraw/zinc/03/04/28/1128030428.db2.gz NUQVGLPOVHLVGW-UHFFFAOYSA-N 0 1 288.376 3.565 20 0 CHADMN CCC[C@@H]1CCCCN1CC(=O)Nc1ccc(C)cc1F ZINC000541694729 1128033174 /nfs/dbraw/zinc/03/31/74/1128033174.db2.gz JNOOCDQHAFRGOM-CQSZACIVSA-N 0 1 292.398 3.727 20 0 CHADMN COc1ccc2nc(SCC[C@@H]3CCCCO3)[nH]c2c1 ZINC000541784433 1128038467 /nfs/dbraw/zinc/03/84/67/1128038467.db2.gz LKSYHDLZCSWOBM-NSHDSACASA-N 0 1 292.404 3.623 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000302750356 1128041214 /nfs/dbraw/zinc/04/12/14/1128041214.db2.gz WFQMDONGENZZAU-ZDUSSCGKSA-N 0 1 295.810 3.876 20 0 CHADMN COc1cc(C)c(CN(C)[C@@H](C)c2cccs2)c(C)n1 ZINC000541926474 1128043160 /nfs/dbraw/zinc/04/31/60/1128043160.db2.gz PPHNREZUNCZULJ-ZDUSSCGKSA-N 0 1 290.432 3.962 20 0 CHADMN C[C@@H](N(Cc1ccn(C)n1)Cc1ccccc1)C(C)(C)C ZINC000469445720 1128043566 /nfs/dbraw/zinc/04/35/66/1128043566.db2.gz FZUUGOPEKHAAEX-OAHLLOKOSA-N 0 1 285.435 3.857 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@]3(CC[C@H](C)C3)C2)n1 ZINC000541948380 1128044586 /nfs/dbraw/zinc/04/45/86/1128044586.db2.gz HDJAQMWNRADNIP-ZQIUZPCESA-N 0 1 291.439 3.985 20 0 CHADMN Cc1cc(C)cc(C2=CCN(CCOCC(F)F)CC2)c1 ZINC000469773169 1128052740 /nfs/dbraw/zinc/05/27/40/1128052740.db2.gz VTGWBRNDYZSAED-UHFFFAOYSA-N 0 1 295.373 3.674 20 0 CHADMN Clc1ccccc1CCCN1CCOCC12CCC2 ZINC000542204233 1128056524 /nfs/dbraw/zinc/05/65/24/1128056524.db2.gz IBAXSQFRHDVNGT-UHFFFAOYSA-N 0 1 279.811 3.528 20 0 CHADMN CCN(Cc1ccoc1)C[C@@H]1CCC2(CCCC2)O1 ZINC000669928473 1128058052 /nfs/dbraw/zinc/05/80/52/1128058052.db2.gz KRPPEKHTSQSCAB-HNNXBMFYSA-N 0 1 263.381 3.593 20 0 CHADMN Cc1ccc([C@H]2CCN(Cc3cn4ccsc4n3)C2)cc1 ZINC000542318840 1128062862 /nfs/dbraw/zinc/06/28/62/1128062862.db2.gz HIGMYHMTAIQHLA-HNNXBMFYSA-N 0 1 297.427 3.694 20 0 CHADMN CO[C@H](C[N@@H+](C)CCOC(C)(C)C)c1ccc(Cl)cc1 ZINC000669931185 1128065369 /nfs/dbraw/zinc/06/53/69/1128065369.db2.gz UVCPYIAIKUCOIY-OAHLLOKOSA-N 0 1 299.842 3.774 20 0 CHADMN CC(C)CCC1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000470246700 1128067169 /nfs/dbraw/zinc/06/71/69/1128067169.db2.gz JGRNXPJJUFYGRD-UHFFFAOYSA-N 0 1 299.418 3.851 20 0 CHADMN CO[C@H](CN1CC[C@H](C)[C@H](F)C1)c1ccc(Cl)cc1 ZINC000669932898 1128068384 /nfs/dbraw/zinc/06/83/84/1128068384.db2.gz VNZUIJLFLNTDKH-NILFDRSVSA-N 0 1 285.790 3.707 20 0 CHADMN CCC[C@H](C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1)C(C)C ZINC000470313502 1128068622 /nfs/dbraw/zinc/06/86/22/1128068622.db2.gz MUFGTOVTKCBQJK-AWEZNQCLSA-N 0 1 293.455 3.738 20 0 CHADMN COc1cnccc1[C@H](C)NCc1ccc2c(c1)CCCC2 ZINC000491390210 1128068890 /nfs/dbraw/zinc/06/88/90/1128068890.db2.gz RYUIZBHCZMIAKZ-AWEZNQCLSA-N 0 1 296.414 3.820 20 0 CHADMN CC(C)C[C@@H](C)CC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000470330371 1128069243 /nfs/dbraw/zinc/06/92/43/1128069243.db2.gz LESYLIBURDNROW-CYBMUJFWSA-N 0 1 293.455 3.738 20 0 CHADMN CCC(CC)[C@@H](C)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000470339790 1128069376 /nfs/dbraw/zinc/06/93/76/1128069376.db2.gz DBTLMZAJJHPPDK-GFCCVEGCSA-N 0 1 293.455 3.738 20 0 CHADMN CC[C@@H](C)N(CC(=O)c1cccn1C)Cc1ccccc1 ZINC000172625795 1128073340 /nfs/dbraw/zinc/07/33/40/1128073340.db2.gz SZDMOFRJYRDOQH-OAHLLOKOSA-N 0 1 284.403 3.509 20 0 CHADMN Cc1nc(C)c(CN(C)CCOc2cccc(C)c2)s1 ZINC000172739119 1128075188 /nfs/dbraw/zinc/07/51/88/1128075188.db2.gz KALOIKDLUQACTO-UHFFFAOYSA-N 0 1 290.432 3.579 20 0 CHADMN CCC(F)(F)c1ccccc1NC(=O)CN(C)C1CCC1 ZINC000913769834 1128080172 /nfs/dbraw/zinc/08/01/72/1128080172.db2.gz PWUMDKZYKLAQFU-UHFFFAOYSA-N 0 1 296.361 3.611 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1ccccc1F ZINC000470950848 1128081252 /nfs/dbraw/zinc/08/12/52/1128081252.db2.gz SOWWPDAIHRLUFX-KOLCDFICSA-N 0 1 261.262 3.598 20 0 CHADMN CO[C@]1(C)CCCN(CCc2c(F)cccc2Cl)C1 ZINC000470909372 1128081292 /nfs/dbraw/zinc/08/12/92/1128081292.db2.gz QXMNDIIYYXDPJP-OAHLLOKOSA-N 0 1 285.790 3.523 20 0 CHADMN C[C@@H](c1ccncc1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000669942976 1128083860 /nfs/dbraw/zinc/08/38/60/1128083860.db2.gz DJBDWMHFZFBODF-YOEHRIQHSA-N 0 1 270.351 3.713 20 0 CHADMN CCc1noc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)n1 ZINC000669944741 1128084637 /nfs/dbraw/zinc/08/46/37/1128084637.db2.gz ULUIOFWOKZLIND-MUJYYYPQSA-N 0 1 297.402 3.543 20 0 CHADMN CCc1noc(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)n1 ZINC000669944741 1128084640 /nfs/dbraw/zinc/08/46/40/1128084640.db2.gz ULUIOFWOKZLIND-MUJYYYPQSA-N 0 1 297.402 3.543 20 0 CHADMN Fc1cncc(CN2CCCC[C@@H]2c2ccccc2)c1 ZINC000347078657 1128086192 /nfs/dbraw/zinc/08/61/92/1128086192.db2.gz HZXFCTFKDTZAPC-QGZVFWFLSA-N 0 1 270.351 3.948 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CCC[C@](C)(O)CC1 ZINC000471076474 1128086253 /nfs/dbraw/zinc/08/62/53/1128086253.db2.gz NKIFCFSCBMALKO-ABAIWWIYSA-N 0 1 285.790 3.777 20 0 CHADMN Cc1cc([C@H](C)NCc2sc(C)nc2C)oc1C ZINC000282099875 1128089614 /nfs/dbraw/zinc/08/96/14/1128089614.db2.gz IOWCKLCRFAYDMT-VIFPVBQESA-N 0 1 264.394 3.821 20 0 CHADMN C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](CO)C1 ZINC000304679333 1128090509 /nfs/dbraw/zinc/09/05/09/1128090509.db2.gz DQPDHSIVIGXGRP-WDEREUQCSA-N 0 1 288.218 3.759 20 0 CHADMN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCCCC1 ZINC000173864216 1128093929 /nfs/dbraw/zinc/09/39/29/1128093929.db2.gz XRMAOVFFBDCEGU-NSHDSACASA-N 0 1 291.782 3.937 20 0 CHADMN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@H]1C ZINC000173903229 1128094717 /nfs/dbraw/zinc/09/47/17/1128094717.db2.gz KKJIOIVJRBCPJK-MNOVXSKESA-N 0 1 291.782 3.935 20 0 CHADMN Cc1cc(CNc2nc3c(cc(C)cc3C)s2)n[nH]1 ZINC000777506645 1128095415 /nfs/dbraw/zinc/09/54/15/1128095415.db2.gz KJWYQCKVTLYKLE-UHFFFAOYSA-N 0 1 272.377 3.557 20 0 CHADMN CCC[C@H](CC)N(CC(=O)OCC)Cc1ccccc1 ZINC001257256127 1128099573 /nfs/dbraw/zinc/09/95/73/1128099573.db2.gz DJQXBBJBKPKZFK-INIZCTEOSA-N 0 1 277.408 3.630 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1nc(-c2cc3ccccc3[nH]2)no1 ZINC000924426164 1128100845 /nfs/dbraw/zinc/10/08/45/1128100845.db2.gz VXJSJKZKVMUXLV-VXGBXAGGSA-N 0 1 296.374 3.591 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1)c1cnnn1C ZINC000924541341 1128102573 /nfs/dbraw/zinc/10/25/73/1128102573.db2.gz MFPIBDJFBJOONC-RKDXNWHRSA-N 0 1 299.205 3.534 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnnn1C)c1ccc(Cl)c(Cl)c1 ZINC000924541338 1128102758 /nfs/dbraw/zinc/10/27/58/1128102758.db2.gz MFPIBDJFBJOONC-BDAKNGLRSA-N 0 1 299.205 3.534 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccn1)c1ccc(C(C)(C)O)cc1 ZINC000924544228 1128103600 /nfs/dbraw/zinc/10/36/00/1128103600.db2.gz VBTCIOKMGHBPDY-ZIAGYGMSSA-N 0 1 284.403 3.721 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccccc1)c1cccc(OC)n1 ZINC000924543178 1128103655 /nfs/dbraw/zinc/10/36/55/1128103655.db2.gz QEXYYYHPZAEHRW-ZFWWWQNUSA-N 0 1 270.376 3.892 20 0 CHADMN CC[C@@H](NCc1ccc(C)cc1)c1cccc(OC)n1 ZINC000924548919 1128104700 /nfs/dbraw/zinc/10/47/00/1128104700.db2.gz OSHKNUMQSXLSHO-OAHLLOKOSA-N 0 1 270.376 3.640 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1cn(C)cn1 ZINC000924571957 1128105412 /nfs/dbraw/zinc/10/54/12/1128105412.db2.gz JRYUKEUGCHJVTM-KBPBESRZSA-N 0 1 283.419 3.711 20 0 CHADMN COc1ccnc([C@@H](C)N[C@@H](c2ccccc2)C2CC2)c1 ZINC000924597336 1128106220 /nfs/dbraw/zinc/10/62/20/1128106220.db2.gz IRFMFADLEWRIGL-ACJLOTCBSA-N 0 1 282.387 3.892 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(O)cc(F)c2)cc1F ZINC000924605102 1128107035 /nfs/dbraw/zinc/10/70/35/1128107035.db2.gz AOPAJHBTEGCUAH-SNVBAGLBSA-N 0 1 293.313 3.530 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2ccnn2C2CCC2)cc1 ZINC000924608851 1128107361 /nfs/dbraw/zinc/10/73/61/1128107361.db2.gz DYSFJGZVODFHCP-AWEZNQCLSA-N 0 1 299.418 3.605 20 0 CHADMN CCOCc1ccccc1CN[C@@H](C)c1c(C)noc1C ZINC000924602773 1128107473 /nfs/dbraw/zinc/10/74/73/1128107473.db2.gz NXWDYVQGXLPRCD-LBPRGKRZSA-N 0 1 288.391 3.679 20 0 CHADMN C[C@H](N[C@@H]1CCCc2occc21)c1ccnn1C1CCC1 ZINC000924644942 1128108912 /nfs/dbraw/zinc/10/89/12/1128108912.db2.gz RYXXSCWZQCIBJF-SWLSCSKDSA-N 0 1 285.391 3.929 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H](C)c2ccc(C)cc2)c1 ZINC000924715438 1128110520 /nfs/dbraw/zinc/11/05/20/1128110520.db2.gz VBPXDSHROYFTQB-KBPBESRZSA-N 0 1 270.376 3.810 20 0 CHADMN C[C@H](NCc1ccc(Cl)s1)c1cccc2c1OCO2 ZINC000924814197 1128113791 /nfs/dbraw/zinc/11/37/91/1128113791.db2.gz PDVXLMXXAVYITQ-VIFPVBQESA-N 0 1 295.791 3.981 20 0 CHADMN C[C@@H](NCc1ccc(Cl)s1)c1cccc2c1OCO2 ZINC000924814194 1128113833 /nfs/dbraw/zinc/11/38/33/1128113833.db2.gz PDVXLMXXAVYITQ-SECBINFHSA-N 0 1 295.791 3.981 20 0 CHADMN COc1cc(CN[C@@H](C)c2cnn(C3CCC3)c2)ccc1C ZINC000924833058 1128114352 /nfs/dbraw/zinc/11/43/52/1128114352.db2.gz XEBJWZXBJWYOJB-AWEZNQCLSA-N 0 1 299.418 3.776 20 0 CHADMN Cc1ccc2nc(CN[C@@H]3CCc4cccc(C)c43)cn2c1 ZINC000924952801 1128117242 /nfs/dbraw/zinc/11/72/42/1128117242.db2.gz XKHFGAKFYCHUCJ-QGZVFWFLSA-N 0 1 291.398 3.728 20 0 CHADMN Cc1ccc(C[C@@H](C)N[C@@H](C)c2ncco2)c(C)c1 ZINC000925010563 1128118644 /nfs/dbraw/zinc/11/86/44/1128118644.db2.gz OMRRJSFLGBZFIV-KGLIPLIRSA-N 0 1 258.365 3.573 20 0 CHADMN C[C@@H](NC/C=C\c1ccccc1)c1cn2c(n1)CCCC2 ZINC000925050893 1128119933 /nfs/dbraw/zinc/11/99/33/1128119933.db2.gz JNKWHFPZTFNNJF-YYRKOSNBSA-N 0 1 281.403 3.583 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C=Cc1ccsc1 ZINC000493040876 1128120766 /nfs/dbraw/zinc/12/07/66/1128120766.db2.gz UXWSBGKWHLDRNT-IHWYPQMZSA-N 0 1 283.356 3.585 20 0 CHADMN COc1ccccc1CN(C)Cc1ccc(CF)cc1 ZINC000777545754 1128121472 /nfs/dbraw/zinc/12/14/72/1128121472.db2.gz WCAGTSLXQQDWQB-UHFFFAOYSA-N 0 1 273.351 3.797 20 0 CHADMN CCC(CC)c1cc(CN[C@H](C)C2(Cl)CC2)on1 ZINC000925152599 1128123405 /nfs/dbraw/zinc/12/34/05/1128123405.db2.gz BTWKYLPRQXGFHQ-SNVBAGLBSA-N 0 1 270.804 3.828 20 0 CHADMN COc1cc(CN[C@H](C)c2ccns2)c2ccccc2n1 ZINC000925157010 1128124547 /nfs/dbraw/zinc/12/45/47/1128124547.db2.gz RUKNFBFMWFXVPC-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN O=C1[C@@H]2CCCCCC2=NN1c1cccc(Cl)c1 ZINC000095082138 1128129602 /nfs/dbraw/zinc/12/96/02/1128129602.db2.gz KMBGETHUPBWTSZ-GFCCVEGCSA-N 0 1 262.740 3.623 20 0 CHADMN O=c1c2c([nH]n1-c1cccc(Cl)c1)CCCCC2 ZINC000095082138 1128129603 /nfs/dbraw/zinc/12/96/03/1128129603.db2.gz KMBGETHUPBWTSZ-GFCCVEGCSA-N 0 1 262.740 3.623 20 0 CHADMN C[C@H](c1ccccc1)N(Cc1ccccc1)CC1OCCO1 ZINC000777561084 1128128653 /nfs/dbraw/zinc/12/86/53/1128128653.db2.gz ABDGJTPNWHLWIM-MRXNPFEDSA-N 0 1 297.398 3.623 20 0 CHADMN C[C@@H](NC1CCC1)c1ncc(C(F)(F)F)cc1Cl ZINC000925375792 1128128937 /nfs/dbraw/zinc/12/89/37/1128128937.db2.gz HMYOTKHKPGZVCF-SSDOTTSWSA-N 0 1 278.705 3.957 20 0 CHADMN Cc1oc2ccccc2c1[C@@H](C)NCc1cc(C)ncn1 ZINC000925628148 1128135129 /nfs/dbraw/zinc/13/51/29/1128135129.db2.gz GHGLFNOXYVMCLW-GFCCVEGCSA-N 0 1 281.359 3.690 20 0 CHADMN Cc1oc2ccccc2c1[C@@H](C)N[C@H](C)c1cn[nH]c1 ZINC000925635921 1128135240 /nfs/dbraw/zinc/13/52/40/1128135240.db2.gz VBDXICFXBIXUPP-GHMZBOCLSA-N 0 1 269.348 3.876 20 0 CHADMN C[C@H](N[C@H]1CCCc2c[nH]nc21)c1coc2ccccc12 ZINC000925548759 1128132023 /nfs/dbraw/zinc/13/20/23/1128132023.db2.gz DIZJRZQDPVBNBG-NHYWBVRUSA-N 0 1 281.359 3.884 20 0 CHADMN COc1cc(C)cc(CN[C@H](C)c2cc(O)cc(F)c2)c1 ZINC000925603821 1128134515 /nfs/dbraw/zinc/13/45/15/1128134515.db2.gz RXWJEPWGDLOYLB-GFCCVEGCSA-N 0 1 289.350 3.699 20 0 CHADMN C[C@@H](N[C@@H](C)c1coc2ccccc21)c1cn[nH]c1 ZINC000925634863 1128134870 /nfs/dbraw/zinc/13/48/70/1128134870.db2.gz MCQCXVCLCASJPV-MNOVXSKESA-N 0 1 255.321 3.568 20 0 CHADMN CC[C@@H](O)CCCN[C@H](c1cccc(C)c1)c1ccccn1 ZINC000925459783 1128129884 /nfs/dbraw/zinc/12/98/84/1128129884.db2.gz OQAWNZMLBGFOGU-IEBWSBKVSA-N 0 1 298.430 3.620 20 0 CHADMN Cc1ccc([C@H](C)N2CCOc3ccc(N)cc3C2)s1 ZINC000925748741 1128140452 /nfs/dbraw/zinc/14/04/52/1128140452.db2.gz CEAGEIZYYWFVNX-LBPRGKRZSA-N 0 1 288.416 3.594 20 0 CHADMN COc1cc([C@H](C)N[C@H]2c3ccccc3CC[C@H]2C)on1 ZINC000925658819 1128136408 /nfs/dbraw/zinc/13/64/08/1128136408.db2.gz VPWAJTXXAQXUKZ-BWACUDIHSA-N 0 1 286.375 3.657 20 0 CHADMN C[C@H](NC1(c2ccccc2F)CC1)C1(Cl)CC1 ZINC000925883227 1128145348 /nfs/dbraw/zinc/14/53/48/1128145348.db2.gz HACPADYOOYPSQI-JTQLQIEISA-N 0 1 253.748 3.564 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@H]1NCc1nc(C(C)C)no1 ZINC000493680717 1128146959 /nfs/dbraw/zinc/14/69/59/1128146959.db2.gz NCGSHAYWHCODPX-UONOGXRCSA-N 0 1 279.428 3.888 20 0 CHADMN C[C@@H](c1ccccc1Cl)N1CCc2cc[nH]c(=O)c2C1 ZINC000494108847 1128157211 /nfs/dbraw/zinc/15/72/11/1128157211.db2.gz PVYXKRDKHVMQNY-NSHDSACASA-N 0 1 288.778 3.560 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000926185812 1128159182 /nfs/dbraw/zinc/15/91/82/1128159182.db2.gz KUGLQIRYCNDYEH-NWANDNLSSA-N 0 1 292.423 3.542 20 0 CHADMN Cc1oc2ccccc2c1CCN[C@@H](C)c1ncco1 ZINC000926190719 1128159414 /nfs/dbraw/zinc/15/94/14/1128159414.db2.gz ZCMMPDZYQCVMPU-NSHDSACASA-N 0 1 270.332 3.623 20 0 CHADMN Cc1ccc(SC[C@@H](C)N[C@H](C)c2cn(C)cn2)cc1 ZINC000926203885 1128160436 /nfs/dbraw/zinc/16/04/36/1128160436.db2.gz ZQPKBOIZYQFSHB-ZIAGYGMSSA-N 0 1 289.448 3.560 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccc(SC)cc2)n1 ZINC000219174001 1128163583 /nfs/dbraw/zinc/16/35/83/1128163583.db2.gz CMDODGZQGDQVQI-GFCCVEGCSA-N 0 1 288.416 3.663 20 0 CHADMN CCC[C@@H](NCCOC(F)(F)F)c1ncccc1Cl ZINC000926261542 1128163811 /nfs/dbraw/zinc/16/38/11/1128163811.db2.gz WGNAFIPLOVYQKJ-SNVBAGLBSA-N 0 1 296.720 3.702 20 0 CHADMN CCCNc1ccc(CN[C@@H](C)c2cc(OC)ccn2)cc1 ZINC000926288621 1128165199 /nfs/dbraw/zinc/16/51/99/1128165199.db2.gz RXKQUSXNTMPHRS-AWEZNQCLSA-N 0 1 299.418 3.763 20 0 CHADMN CCOc1ccc(O[C@H]2CCCN(CC)C2)c(Cl)c1 ZINC001234316848 1128166552 /nfs/dbraw/zinc/16/65/52/1128166552.db2.gz MRWKLMJZRLOJNC-ZDUSSCGKSA-N 0 1 283.799 3.602 20 0 CHADMN COC[C@@H](N[C@@H](C)c1cnn(C2CCC2)c1)c1ccccc1 ZINC000925409937 1128169764 /nfs/dbraw/zinc/16/97/64/1128169764.db2.gz YQGDKVBBAVIXAM-KBXCAEBGSA-N 0 1 299.418 3.646 20 0 CHADMN CC(C)CCSc1nc(-c2ccccc2F)n[nH]1 ZINC000494361180 1128170900 /nfs/dbraw/zinc/17/09/00/1128170900.db2.gz YVWRGXUUZUCOAU-UHFFFAOYSA-N 0 1 265.357 3.749 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)c2ccccc21)c1cnnn1C ZINC000926431557 1128171674 /nfs/dbraw/zinc/17/16/74/1128171674.db2.gz IOJDNGOGUYFGBV-RYUDHWBXSA-N 0 1 298.365 3.519 20 0 CHADMN CCC[C@H](NC[C@@H](CC)OC)c1ncccc1Cl ZINC000926462115 1128173422 /nfs/dbraw/zinc/17/34/22/1128173422.db2.gz UYEOMESPQOBUDR-YPMHNXCESA-N 0 1 270.804 3.591 20 0 CHADMN Cc1ccc(C2(CN[C@H](C)c3ncco3)CC2)c(C)c1 ZINC000926501570 1128176517 /nfs/dbraw/zinc/17/65/17/1128176517.db2.gz KAVLFMIKJVGDOO-CQSZACIVSA-N 0 1 270.376 3.674 20 0 CHADMN COc1ccc(CNCc2cc(C)ccc2F)cc1F ZINC000116912848 1128176710 /nfs/dbraw/zinc/17/67/10/1128176710.db2.gz BZNDSYFMPWDVMW-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1)c1cn[nH]c1 ZINC000222494646 1128178262 /nfs/dbraw/zinc/17/82/62/1128178262.db2.gz OFXDMNXKYKGFBB-NXEZZACHSA-N 0 1 283.297 3.840 20 0 CHADMN CCc1nc(CNC2CC(Sc3ccccc3)C2)co1 ZINC000926536830 1128179115 /nfs/dbraw/zinc/17/91/15/1128179115.db2.gz PHKOXBFZLCJCRZ-UHFFFAOYSA-N 0 1 288.416 3.650 20 0 CHADMN CC[C@@H](NCc1csc(C(C)(C)C)n1)[C@@H]1CCCCO1 ZINC000653880392 1128179558 /nfs/dbraw/zinc/17/95/58/1128179558.db2.gz KEHAQVFPRSMOPC-KGLIPLIRSA-N 0 1 296.480 3.878 20 0 CHADMN CC(C)(C)C1CCC(C[N@@H+](CCC(=O)[O-])C2CC2)CC1 ZINC000130288773 1128179905 /nfs/dbraw/zinc/17/99/05/1128179905.db2.gz ZZRHWYHPEUCRIX-UHFFFAOYSA-N 0 1 281.440 3.778 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1C[C@H]1c1ccccc1F ZINC000926569697 1128181467 /nfs/dbraw/zinc/18/14/67/1128181467.db2.gz SQJXIDUWHUZVKA-AEGPPILISA-N 0 1 286.350 3.645 20 0 CHADMN F[C@@H]1CCCC[C@H]1N[C@H](c1ccccn1)C1CCC1 ZINC000926587118 1128182724 /nfs/dbraw/zinc/18/27/24/1128182724.db2.gz HEFDCHPBJDUPMM-FMKPAKJESA-N 0 1 262.372 3.793 20 0 CHADMN COc1cccc2cc([C@H](C)N[C@H](C)c3cn[nH]c3)oc21 ZINC000224764068 1128182905 /nfs/dbraw/zinc/18/29/05/1128182905.db2.gz OKIVPZUNGBZQFL-MNOVXSKESA-N 0 1 285.347 3.576 20 0 CHADMN CC1(C)[C@H]2CCCC[C@H]2[C@@H]1NCc1nnc(C2CC2)s1 ZINC000926595734 1128183292 /nfs/dbraw/zinc/18/32/92/1128183292.db2.gz IBPBRUODOFWYNG-DYEKYZERSA-N 0 1 291.464 3.720 20 0 CHADMN CCSC1(CN[C@H]2COCc3cccc(Cl)c32)CC1 ZINC000926710276 1128189361 /nfs/dbraw/zinc/18/93/61/1128189361.db2.gz PIBXNJXZLBISGH-ZDUSSCGKSA-N 0 1 297.851 3.787 20 0 CHADMN CO[C@H](CN[C@@H]1CCCc2oc(C)nc21)C1CCCCC1 ZINC000926728787 1128190397 /nfs/dbraw/zinc/19/03/97/1128190397.db2.gz SKRYFLUEUSPVFF-GDBMZVCRSA-N 0 1 292.423 3.545 20 0 CHADMN CC(C)Cc1ccccc1CN[C@@H](C)c1ccnnc1 ZINC000926741477 1128191272 /nfs/dbraw/zinc/19/12/72/1128191272.db2.gz NSGKXOSOCBYKGS-AWEZNQCLSA-N 0 1 269.392 3.526 20 0 CHADMN CC(C)CCO[C@H]1CC[C@H](N[C@H](C)c2ncco2)CC1 ZINC000926758685 1128192217 /nfs/dbraw/zinc/19/22/17/1128192217.db2.gz PJYDZDJSEYLBAD-RBSFLKMASA-N 0 1 280.412 3.699 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](C)c2cnn(C3CCC3)c2)s1 ZINC000926786122 1128194277 /nfs/dbraw/zinc/19/42/77/1128194277.db2.gz LZWOLKOAVRWSSX-WDEREUQCSA-N 0 1 290.436 3.785 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnc(C)s1)c1cccc(OC)n1 ZINC000926787014 1128194460 /nfs/dbraw/zinc/19/44/60/1128194460.db2.gz RLPNFEDZINWYJI-CMPLNLGQSA-N 0 1 291.420 3.657 20 0 CHADMN CCC[C@@H](C)c1noc(-c2ccc(Cl)cc2O)n1 ZINC000761844784 1128245144 /nfs/dbraw/zinc/24/51/44/1128245144.db2.gz FCRAIRKMCNUMMR-MRVPVSSYSA-N 0 1 266.728 3.999 20 0 CHADMN CCC[C@H](C)c1noc(-c2cc(-c3ccc(C)o3)n[nH]2)n1 ZINC000761845166 1128245365 /nfs/dbraw/zinc/24/53/65/1128245365.db2.gz OPLRJLANJKAFEU-VIFPVBQESA-N 0 1 286.335 3.932 20 0 CHADMN CC[C@@]1(O)CCN([C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000495226930 1128246975 /nfs/dbraw/zinc/24/69/75/1128246975.db2.gz VWKIHSZFJHBYIT-IINYFYTJSA-N 0 1 288.218 3.901 20 0 CHADMN C[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1nccs1 ZINC000777703701 1128247391 /nfs/dbraw/zinc/24/73/91/1128247391.db2.gz YECKXAVVFGMULT-SNVBAGLBSA-N 0 1 279.384 3.517 20 0 CHADMN Clc1ccc([C@@H](NCc2ccccn2)C2CC2)cc1 ZINC000035011886 1128251785 /nfs/dbraw/zinc/25/17/85/1128251785.db2.gz RTOPSIALJWZIJB-INIZCTEOSA-N 0 1 272.779 3.976 20 0 CHADMN C[C@@H](NCC1OCCO1)c1ccccc1Oc1ccccc1 ZINC000777722519 1128254249 /nfs/dbraw/zinc/25/42/49/1128254249.db2.gz UKWWOOSWXYGCQJ-CQSZACIVSA-N 0 1 299.370 3.502 20 0 CHADMN CN(C(=O)c1ccc(CN2CCCCC2)o1)c1ccccc1 ZINC000929122856 1128258489 /nfs/dbraw/zinc/25/84/89/1128258489.db2.gz WJMJDKBNVFZCGV-UHFFFAOYSA-N 0 1 298.386 3.542 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1cccc2c1OCC2 ZINC001205129830 1128263225 /nfs/dbraw/zinc/26/32/25/1128263225.db2.gz BQDWEWSPCIPPMU-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN CCCn1cc(CNCc2ccc(C3CCC3)cc2)cn1 ZINC000494844025 1128205326 /nfs/dbraw/zinc/20/53/26/1128205326.db2.gz CUJQNKHGDIISRI-UHFFFAOYSA-N 0 1 283.419 3.850 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cc3nnc(C(C)(C)C)o3)C2)cc1 ZINC000784473952 1128205976 /nfs/dbraw/zinc/20/59/76/1128205976.db2.gz DNDVETDFPNIRDY-OAHLLOKOSA-N 0 1 299.418 3.665 20 0 CHADMN Cn1ccc([C@H](NCCC2CC=CC2)c2ccc(F)cc2)n1 ZINC000926951999 1128206171 /nfs/dbraw/zinc/20/61/71/1128206171.db2.gz IRPMELCOXLNYQB-GOSISDBHSA-N 0 1 299.393 3.595 20 0 CHADMN C[C@H](NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1cscn1 ZINC000926971994 1128206857 /nfs/dbraw/zinc/20/68/57/1128206857.db2.gz ASYDGMQFEHMJHR-ZKYQVNSYSA-N 0 1 294.370 3.843 20 0 CHADMN CCC[C@H](O)CCN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000927019239 1128208393 /nfs/dbraw/zinc/20/83/93/1128208393.db2.gz DJWDRAJUOFQAHM-PKOBYXMFSA-N 0 1 298.430 3.620 20 0 CHADMN C[C@]1(CN[C@@H](c2ccccc2)c2ccccn2)CCCCO1 ZINC000927023126 1128208817 /nfs/dbraw/zinc/20/88/17/1128208817.db2.gz UJDVOJODQZJVQB-RBUKOAKNSA-N 0 1 296.414 3.720 20 0 CHADMN Fc1cccc(F)c1-c1nc(CNC2(C3CC3)CC2)co1 ZINC000542523899 1128211939 /nfs/dbraw/zinc/21/19/39/1128211939.db2.gz AKNXQKOTFUBALB-UHFFFAOYSA-N 0 1 290.313 3.652 20 0 CHADMN Oc1ccc2c(c1)[C@@H](N[C@H]1CCCc3cccnc31)CCC2 ZINC000927063615 1128213039 /nfs/dbraw/zinc/21/30/39/1128213039.db2.gz HZWPFYXGGDZZTB-ROUUACIJSA-N 0 1 294.398 3.832 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H]2CCCc3cccnc32)c(C)n1 ZINC000927062498 1128213365 /nfs/dbraw/zinc/21/33/65/1128213365.db2.gz HVBKQEVLRYOWKJ-PBHICJAKSA-N 0 1 281.403 3.822 20 0 CHADMN CSc1ccc(CN[C@@H](C)c2c(C)noc2C)cc1 ZINC000073006779 1128213687 /nfs/dbraw/zinc/21/36/87/1128213687.db2.gz SJUOKAKYRSPPPH-JTQLQIEISA-N 0 1 276.405 3.864 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1ccncc1Cl)c1cnn(C)c1 ZINC000927067828 1128215050 /nfs/dbraw/zinc/21/50/50/1128215050.db2.gz HOMBIJSMWYRXGG-XHDPSFHLSA-N 0 1 292.814 3.516 20 0 CHADMN C[C@H](NCc1cccc2c1OCC2)c1ccccc1N(C)C ZINC000927089531 1128216172 /nfs/dbraw/zinc/21/61/72/1128216172.db2.gz CRZQERDFYNLHJZ-AWEZNQCLSA-N 0 1 296.414 3.538 20 0 CHADMN C[C@H](NCc1cccc2c1OCC2)c1cc(F)cc(F)c1 ZINC000927090257 1128216545 /nfs/dbraw/zinc/21/65/45/1128216545.db2.gz USWYDNFGYZRZQH-NSHDSACASA-N 0 1 289.325 3.751 20 0 CHADMN C[C@@H](NCc1cc(C2CC2)nn1C)c1cc2ccccc2[nH]1 ZINC000927098783 1128217532 /nfs/dbraw/zinc/21/75/32/1128217532.db2.gz MFEBYVOFUNFBEF-GFCCVEGCSA-N 0 1 294.402 3.630 20 0 CHADMN CCc1onc(C)c1CN[C@H]1CCCNc2ccccc21 ZINC000927134134 1128221306 /nfs/dbraw/zinc/22/13/06/1128221306.db2.gz HVTXDUAKSWYEBU-INIZCTEOSA-N 0 1 285.391 3.582 20 0 CHADMN CCc1onc(C)c1CN[C@H](c1ccccc1)C1CC1 ZINC000927137770 1128221349 /nfs/dbraw/zinc/22/13/49/1128221349.db2.gz BJUQAKUHWMSTPZ-QGZVFWFLSA-N 0 1 270.376 3.786 20 0 CHADMN CCc1onc(C)c1CN[C@H](C)c1ccc(OC)cc1C ZINC000927135031 1128221558 /nfs/dbraw/zinc/22/15/58/1128221558.db2.gz POFHWNXVDGCGQT-GFCCVEGCSA-N 0 1 288.391 3.713 20 0 CHADMN CC1(C)CN(Cc2sccc2Cl)CCS1 ZINC000494995029 1128221917 /nfs/dbraw/zinc/22/19/17/1128221917.db2.gz IXVHNZWXZNMTMI-UHFFFAOYSA-N 0 1 261.843 3.729 20 0 CHADMN CCc1onc(C)c1CN[C@H]1c2ccccc2C[C@H]1C ZINC000927141954 1128221946 /nfs/dbraw/zinc/22/19/46/1128221946.db2.gz ZYYFRFOEIVEQHU-PIGZYNQJSA-N 0 1 270.376 3.569 20 0 CHADMN CCc1cnc(CN[C@H](C)[C@H](C)c2ccccc2)o1 ZINC000542538956 1128234098 /nfs/dbraw/zinc/23/40/98/1128234098.db2.gz QJQVUQGWUZFGMH-QWHCGFSZSA-N 0 1 258.365 3.519 20 0 CHADMN Cc1ccc(CN(CCSc2ccncc2)C2CC2)o1 ZINC000929282932 1128267742 /nfs/dbraw/zinc/26/77/42/1128267742.db2.gz MUGOLFVRKUUREO-UHFFFAOYSA-N 0 1 288.416 3.740 20 0 CHADMN CCCCCCN(Cc1ccc(C)o1)C(=O)c1cnc[nH]1 ZINC000928485952 1128243019 /nfs/dbraw/zinc/24/30/19/1128243019.db2.gz PIKKWSOLIRLWCI-UHFFFAOYSA-N 0 1 289.379 3.534 20 0 CHADMN Cc1nnsc1[C@@H](C)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000929529651 1128276843 /nfs/dbraw/zinc/27/68/43/1128276843.db2.gz KTEZDTVMLQOLEA-DGCLKSJQSA-N 0 1 291.395 3.536 20 0 CHADMN C[C@@H](c1ncccn1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000929621405 1128279765 /nfs/dbraw/zinc/27/97/65/1128279765.db2.gz CGYJQELEUKHYCL-GXTWGEPZSA-N 0 1 287.794 3.681 20 0 CHADMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(C)nnc1C ZINC000929648934 1128280842 /nfs/dbraw/zinc/28/08/42/1128280842.db2.gz AWWKJOWOIMFTPX-GOSISDBHSA-N 0 1 281.403 3.603 20 0 CHADMN CN(C(=O)c1cccc2[nH]c(C(F)F)nc21)C1CCCC1 ZINC000929696783 1128282087 /nfs/dbraw/zinc/28/20/87/1128282087.db2.gz OUZXAXAJWBJQHP-UHFFFAOYSA-N 0 1 293.317 3.515 20 0 CHADMN CN(Cc1ccc(Cl)nc1)C[C@H]1CCCC2(CCC2)O1 ZINC000929787223 1128287626 /nfs/dbraw/zinc/28/76/26/1128287626.db2.gz JIOWHCPIKUXEDS-CQSZACIVSA-N 0 1 294.826 3.659 20 0 CHADMN Cc1cc(CN2CCCC[C@H]2c2ccc(F)cc2)c(C)nn1 ZINC000929786575 1128287769 /nfs/dbraw/zinc/28/77/69/1128287769.db2.gz CCJAPTJLELXJGH-SFHVURJKSA-N 0 1 299.393 3.960 20 0 CHADMN C[C@H]1N(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CCOC1(C)C ZINC000929842975 1128290025 /nfs/dbraw/zinc/29/00/25/1128290025.db2.gz UGKGXAMFMGGFDS-BPLDGKMQSA-N 0 1 295.373 3.535 20 0 CHADMN FC(F)(F)CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000495480634 1128288668 /nfs/dbraw/zinc/28/86/68/1128288668.db2.gz OOJQPESIPMLENB-SREVYHEPSA-N 0 1 285.294 3.630 20 0 CHADMN Cc1nc(C)c(CN2C[C@@H](C)C[C@@H]2c2ccccc2F)[nH]1 ZINC000929724610 1128284599 /nfs/dbraw/zinc/28/45/99/1128284599.db2.gz CIIADEHXDKHDPS-APPDUMDISA-N 0 1 287.382 3.749 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2[nH]c(C)nc2C)o1 ZINC000929760891 1128285652 /nfs/dbraw/zinc/28/56/52/1128285652.db2.gz YAFYZVAOBBNJBE-MEDUHNTESA-N 0 1 287.407 3.901 20 0 CHADMN FCc1ccccc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000929886159 1128292134 /nfs/dbraw/zinc/29/21/34/1128292134.db2.gz OTODJJCKGNZJPY-MRXNPFEDSA-N 0 1 258.340 3.821 20 0 CHADMN Cc1cn(C)nc1CN[C@H](c1ccccc1)C(C)(C)C ZINC000929890743 1128292429 /nfs/dbraw/zinc/29/24/29/1128292429.db2.gz HAYIQKKGOWIAGA-MRXNPFEDSA-N 0 1 271.408 3.606 20 0 CHADMN Cc1nc(C2(NCCCC(C)(F)F)CCCCC2)no1 ZINC000929891468 1128292994 /nfs/dbraw/zinc/29/29/94/1128292994.db2.gz NDMXAQDLEKXGRA-UHFFFAOYSA-N 0 1 287.354 3.562 20 0 CHADMN CC(C)N(Cc1c(F)cncc1F)C1CCCC1 ZINC000929956722 1128295869 /nfs/dbraw/zinc/29/58/69/1128295869.db2.gz LNUQUVBSEDZQJH-UHFFFAOYSA-N 0 1 254.324 3.513 20 0 CHADMN Cc1cc(C)nc(CN(C)[C@@H](C)c2cccc(O)c2)c1 ZINC000929972398 1128296072 /nfs/dbraw/zinc/29/60/72/1128296072.db2.gz QQWZIHJZUVRSDT-AWEZNQCLSA-N 0 1 270.376 3.597 20 0 CHADMN CC(C)[N@@H+](Cc1coc(C(C)(C)C)n1)C1CCC1 ZINC000929993353 1128297510 /nfs/dbraw/zinc/29/75/10/1128297510.db2.gz BZENVKJLSWUPEF-UHFFFAOYSA-N 0 1 250.386 3.735 20 0 CHADMN CC(C)N(Cc1coc(C(C)(C)C)n1)C1CCC1 ZINC000929993353 1128297512 /nfs/dbraw/zinc/29/75/12/1128297512.db2.gz BZENVKJLSWUPEF-UHFFFAOYSA-N 0 1 250.386 3.735 20 0 CHADMN O=C1[C@@H]2CCCCC[C@H]2N1CN1CCC[C@H]1c1ccccc1 ZINC000749936768 1128306417 /nfs/dbraw/zinc/30/64/17/1128306417.db2.gz HRZQYDGWGATGCS-FGTMMUONSA-N 0 1 298.430 3.572 20 0 CHADMN CCC(CC)[C@@H](NCc1nn(C)cc1C)c1ccccc1 ZINC000930204257 1128307493 /nfs/dbraw/zinc/30/74/93/1128307493.db2.gz NZIPACMRUWXVDU-GOSISDBHSA-N 0 1 285.435 3.996 20 0 CHADMN CC[C@@H](NCc1cc(C)no1)c1ccc2c(c1)CCCO2 ZINC000153605943 1128313423 /nfs/dbraw/zinc/31/34/23/1128313423.db2.gz OIXKVQHRSCWMEB-MRXNPFEDSA-N 0 1 286.375 3.549 20 0 CHADMN COC(C)(C)[C@H]1CCCN1Cc1c(F)cc(C)cc1F ZINC001235202965 1128314125 /nfs/dbraw/zinc/31/41/25/1128314125.db2.gz RJGMWOWNWDOSOE-OAHLLOKOSA-N 0 1 283.362 3.663 20 0 CHADMN CCc1cccc(CN2CCC(F)(F)C(C)(C)C2)n1 ZINC001235252849 1128316502 /nfs/dbraw/zinc/31/65/02/1128316502.db2.gz GIYIKTSOYPKBRP-UHFFFAOYSA-N 0 1 268.351 3.511 20 0 CHADMN Cc1cn(C)nc1CN[C@H](C)c1ccc(F)c2ccccc21 ZINC000930495976 1128322127 /nfs/dbraw/zinc/32/21/27/1128322127.db2.gz KQNDLRGOFOTOAS-CYBMUJFWSA-N 0 1 297.377 3.872 20 0 CHADMN CC[C@H]1CCCCN1Cc1ccc(Br)cc1N ZINC000094047210 1128321712 /nfs/dbraw/zinc/32/17/12/1128321712.db2.gz KRGSGEMBVOGAIX-ZDUSSCGKSA-N 0 1 297.240 3.796 20 0 CHADMN FC(F)(F)c1cccc(CNc2nccn2C2CC2)c1 ZINC000236155664 1128318113 /nfs/dbraw/zinc/31/81/13/1128318113.db2.gz BPEHSHJQERPGRN-UHFFFAOYSA-N 0 1 281.281 3.849 20 0 CHADMN COc1cccc(CNC(C)(C)c2c(C)noc2C)c1C ZINC000930475867 1128320950 /nfs/dbraw/zinc/32/09/50/1128320950.db2.gz HTWCPMXQBNHKSB-UHFFFAOYSA-N 0 1 288.391 3.633 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)O[C@H]1C=CCC1 ZINC000780588826 1128325140 /nfs/dbraw/zinc/32/51/40/1128325140.db2.gz YRYLOMDYEKLIBG-AWEZNQCLSA-N 0 1 282.343 3.569 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CCC[C@H](c2ccccn2)C1 ZINC000930571331 1128326114 /nfs/dbraw/zinc/32/61/14/1128326114.db2.gz UTDVBHNENAUUGZ-ZFWWWQNUSA-N 0 1 285.366 3.556 20 0 CHADMN CO[C@H]1CCN(Cc2nc(C)c(C(C)(C)C)s2)C[C@H]1C ZINC000930641955 1128328329 /nfs/dbraw/zinc/32/83/29/1128328329.db2.gz ZYRFQVLULJJDPL-YPMHNXCESA-N 0 1 296.480 3.606 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccc(F)cc2C)c(C)nn1 ZINC000930665037 1128330228 /nfs/dbraw/zinc/33/02/28/1128330228.db2.gz WZECGOOMSHADRD-SFHVURJKSA-N 0 1 299.393 3.878 20 0 CHADMN CCc1ncc(C[N@H+]2CC[C@](C)(c3cccc(F)c3)C2)o1 ZINC000930845765 1128337133 /nfs/dbraw/zinc/33/71/33/1128337133.db2.gz LGNAOXKFMNDZEU-KRWDZBQOSA-N 0 1 288.366 3.540 20 0 CHADMN CCc1ncc(CN2CC[C@](C)(c3cccc(F)c3)C2)o1 ZINC000930845765 1128337138 /nfs/dbraw/zinc/33/71/38/1128337138.db2.gz LGNAOXKFMNDZEU-KRWDZBQOSA-N 0 1 288.366 3.540 20 0 CHADMN C[C@@H]1CCC[C@H](C(=O)Nc2cc(Cl)c(O)cc2F)C1 ZINC000561652320 1128344091 /nfs/dbraw/zinc/34/40/91/1128344091.db2.gz XZEIYZBQGHUXSF-BDAKNGLRSA-N 0 1 285.746 3.950 20 0 CHADMN CC(C)OCCCN(C)c1ccnc2cc(F)ccc21 ZINC000354342747 1128348618 /nfs/dbraw/zinc/34/86/18/1128348618.db2.gz ZRWLAIWTRTWJOV-UHFFFAOYSA-N 0 1 276.355 3.625 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)c1cccc2nc[nH]c21 ZINC000074732452 1128355524 /nfs/dbraw/zinc/35/55/24/1128355524.db2.gz HSIRIXBGAKCZTQ-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN Cc1nnsc1[C@@H](C)N[C@@H](C)c1ccc(F)cc1C ZINC000932562214 1128414373 /nfs/dbraw/zinc/41/43/73/1128414373.db2.gz IREZHPLUJCKJEE-VHSXEESVSA-N 0 1 279.384 3.706 20 0 CHADMN Fc1ccc(CNc2cccn3cncc23)c(F)c1Cl ZINC001168504517 1128367761 /nfs/dbraw/zinc/36/77/61/1128367761.db2.gz BUPRZJKLSYSKNX-UHFFFAOYSA-N 0 1 293.704 3.878 20 0 CHADMN C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000194203334 1128368567 /nfs/dbraw/zinc/36/85/67/1128368567.db2.gz HQQRKYMTKCRACC-NEPJUHHUSA-N 0 1 291.345 3.629 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000194203334 1128368572 /nfs/dbraw/zinc/36/85/72/1128368572.db2.gz HQQRKYMTKCRACC-NEPJUHHUSA-N 0 1 291.345 3.629 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)nc1)c1cc2cnccc2o1 ZINC000931565991 1128369835 /nfs/dbraw/zinc/36/98/35/1128369835.db2.gz SZMVAJXKQQBVJY-GHMZBOCLSA-N 0 1 285.322 3.774 20 0 CHADMN Cc1cnc([C@@H](C)N[C@@H](C)c2ccc(F)cc2C)cn1 ZINC000932563065 1128415374 /nfs/dbraw/zinc/41/53/74/1128415374.db2.gz XMTVAQWOXVCNTG-QWHCGFSZSA-N 0 1 273.355 3.644 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1cc(-c2ccco2)on1 ZINC000562060311 1128374943 /nfs/dbraw/zinc/37/49/43/1128374943.db2.gz QLMKWJOBXRQHFG-GFCCVEGCSA-N 0 1 262.353 3.945 20 0 CHADMN C[C@@H](N[C@@H]1CCc2c1cccc2F)c1ccc(F)nc1 ZINC000931755897 1128380571 /nfs/dbraw/zinc/38/05/71/1128380571.db2.gz MKAMWVQYICLSDG-MEBBXXQBSA-N 0 1 274.314 3.698 20 0 CHADMN C[C@H](CN1CCSC[C@H]1c1nccs1)C(C)(C)C ZINC000670269323 1128380949 /nfs/dbraw/zinc/38/09/49/1128380949.db2.gz RQABHCPJFMXFIU-NEPJUHHUSA-N 0 1 284.494 3.915 20 0 CHADMN Cc1cc(CNC/C=C/c2c(C)cc(C)cc2C)on1 ZINC001649175839 1128381792 /nfs/dbraw/zinc/38/17/92/1128381792.db2.gz ROPLVNFYTIEEDK-AATRIKPKSA-N 0 1 270.376 3.711 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000763224090 1128383353 /nfs/dbraw/zinc/38/33/53/1128383353.db2.gz SQUFAVAACNWENQ-STQMWFEESA-N 0 1 294.443 3.541 20 0 CHADMN CCn1nc(CN2CC3(CCC3)[C@H]2C2CC2)c2ccccc21 ZINC000562204804 1128385336 /nfs/dbraw/zinc/38/53/36/1128385336.db2.gz KRJYGZTYNSNGJJ-GOSISDBHSA-N 0 1 295.430 3.821 20 0 CHADMN CCCc1cc(=O)n(Cc2ccc(Cl)cc2Cl)[nH]1 ZINC000614188514 1128387150 /nfs/dbraw/zinc/38/71/50/1128387150.db2.gz DKDSOBCHSOCODU-UHFFFAOYSA-N 0 1 285.174 3.882 20 0 CHADMN Clc1cnccc1CN1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931930762 1128388898 /nfs/dbraw/zinc/38/88/98/1128388898.db2.gz KECYLTLHNROWQU-DOTOQJQBSA-N 0 1 284.790 3.509 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2ccc(Cl)cn2)cc1 ZINC000562259048 1128390801 /nfs/dbraw/zinc/39/08/01/1128390801.db2.gz HBGYXLMJJNJZBO-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN CC(C)(C)OC[C@@H]1CCCN1Cc1ccnc(Cl)c1 ZINC000932172459 1128398392 /nfs/dbraw/zinc/39/83/92/1128398392.db2.gz RQTTWEFAMWDSHQ-ZDUSSCGKSA-N 0 1 282.815 3.515 20 0 CHADMN Cc1ccccc1NC(=O)CN(Cc1ccccc1)C(C)C ZINC000010928405 1128406801 /nfs/dbraw/zinc/40/68/01/1128406801.db2.gz VVWGEUWZPLGTCD-UHFFFAOYSA-N 0 1 296.414 3.844 20 0 CHADMN CC(C)CN(Cc1ccccn1)Cc1ccc(Cl)cn1 ZINC000932449146 1128410816 /nfs/dbraw/zinc/41/08/16/1128410816.db2.gz MIYBTGPXPTXVGZ-UHFFFAOYSA-N 0 1 289.810 3.788 20 0 CHADMN Cc1ccsc1CNCc1cccc(O)c1Cl ZINC000328268231 1128418807 /nfs/dbraw/zinc/41/88/07/1128418807.db2.gz WJKADUUXIFGFNP-UHFFFAOYSA-N 0 1 267.781 3.705 20 0 CHADMN CC[C@@H](C)N1CCO[C@](C)(c2ccc(Cl)cc2)C1 ZINC001257444152 1128419589 /nfs/dbraw/zinc/41/95/89/1128419589.db2.gz SNSOHTUWKQHEQA-DOMZBBRYSA-N 0 1 267.800 3.686 20 0 CHADMN CC(C)[C@H]1CC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328285781 1128420897 /nfs/dbraw/zinc/42/08/97/1128420897.db2.gz ZOVBNASQFRPWTR-NSHDSACASA-N 0 1 253.773 3.524 20 0 CHADMN CC(C)[C@H]1CC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328285781 1128420899 /nfs/dbraw/zinc/42/08/99/1128420899.db2.gz ZOVBNASQFRPWTR-NSHDSACASA-N 0 1 253.773 3.524 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCC(O)(C2CCC2)CC1 ZINC000932821541 1128422471 /nfs/dbraw/zinc/42/24/71/1128422471.db2.gz UBJWZIXDFJXMTF-GFCCVEGCSA-N 0 1 295.373 3.653 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000819352593 1131243132 /nfs/dbraw/zinc/24/31/32/1131243132.db2.gz PQKUCKVQPNPRQJ-DOMZBBRYSA-N 0 1 292.398 3.652 20 0 CHADMN CC(C)(C)c1n[nH]c(SCCOC2CCCCC2)n1 ZINC000916544723 1128423956 /nfs/dbraw/zinc/42/39/56/1128423956.db2.gz MQXUBHKBQPLLIU-UHFFFAOYSA-N 0 1 283.441 3.544 20 0 CHADMN CC(C)(C)c1nc(SCCOC2CCCCC2)n[nH]1 ZINC000916544723 1128423959 /nfs/dbraw/zinc/42/39/59/1128423959.db2.gz MQXUBHKBQPLLIU-UHFFFAOYSA-N 0 1 283.441 3.544 20 0 CHADMN CC[C@@H](C)N1CCc2c(cccc2C(F)(F)F)C1 ZINC001257447281 1128425222 /nfs/dbraw/zinc/42/52/22/1128425222.db2.gz YLCBYWDCKRCXGZ-SNVBAGLBSA-N 0 1 257.299 3.862 20 0 CHADMN C[C@@H]1CN(Cc2cccc(F)c2N)[C@H]1c1ccccc1 ZINC000638156070 1128427647 /nfs/dbraw/zinc/42/76/47/1128427647.db2.gz RHNJMJAUMWLSKY-SJKOYZFVSA-N 0 1 270.351 3.601 20 0 CHADMN CCN(CCC[NH+](CC)CC)Cc1cccc([O-])c1Cl ZINC000328434610 1128431361 /nfs/dbraw/zinc/43/13/61/1128431361.db2.gz BRPYNRIEHYUCKQ-UHFFFAOYSA-N 0 1 298.858 3.599 20 0 CHADMN C[C@H]1CC[C@H]([NH2+]Cc2cccc([O-])c2Cl)CC1 ZINC000328469150 1128432153 /nfs/dbraw/zinc/43/21/53/1128432153.db2.gz MNXZKUGDFRKISG-UMSPYCQHSA-N 0 1 253.773 3.714 20 0 CHADMN CCCCOCCN([C@H](C)c1ccco1)C1CC1 ZINC000124354536 1128444243 /nfs/dbraw/zinc/44/42/43/1128444243.db2.gz PNGJKHDJNSHXKA-CYBMUJFWSA-N 0 1 251.370 3.622 20 0 CHADMN Fc1cc(Cl)ccc1CNCc1cccs1 ZINC000037927611 1128437288 /nfs/dbraw/zinc/43/72/88/1128437288.db2.gz IVDNEWJTLSYSBM-UHFFFAOYSA-N 0 1 255.745 3.830 20 0 CHADMN C/C(=C\c1ccccc1C(F)(F)F)CNCc1ccno1 ZINC000563151454 1128452657 /nfs/dbraw/zinc/45/26/57/1128452657.db2.gz SMLNHGPBRWRCAA-DHZHZOJOSA-N 0 1 296.292 3.887 20 0 CHADMN CCC[C@](C)(NCc1nccs1)c1ccccc1 ZINC000934182106 1128453912 /nfs/dbraw/zinc/45/39/12/1128453912.db2.gz IMXLTAFCFWXSTA-HNNXBMFYSA-N 0 1 260.406 3.948 20 0 CHADMN CCc1cc(C(=O)N2CCC[C@H]2c2cccc(C)c2C)n[nH]1 ZINC000125505346 1128450950 /nfs/dbraw/zinc/45/09/50/1128450950.db2.gz VLSSJRBYLBMIOF-KRWDZBQOSA-N 0 1 297.402 3.566 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Oc1ccc(C)cc1 ZINC000916851415 1128457261 /nfs/dbraw/zinc/45/72/61/1128457261.db2.gz JYEZNCPYVCRZFR-UHFFFAOYSA-N 0 1 292.338 3.913 20 0 CHADMN FCCC1C[C@H]2CC[C@@H](C1)N2Cc1cccnc1Cl ZINC000934452575 1128460571 /nfs/dbraw/zinc/46/05/71/1128460571.db2.gz IPMDNXDPOYRYGX-QXMXGUDHSA-N 0 1 282.790 3.838 20 0 CHADMN CSCC[C@H](C)N(C)Cc1nc(C)c2ccccc2n1 ZINC000126381050 1128463220 /nfs/dbraw/zinc/46/32/20/1128463220.db2.gz JWJUGKJYJCWKGX-LBPRGKRZSA-N 0 1 289.448 3.512 20 0 CHADMN COc1cc([C@H](C)NCc2conc2C)cc2ccccc21 ZINC000934629338 1128464902 /nfs/dbraw/zinc/46/49/02/1128464902.db2.gz DIJOXFUWMWVJHN-LBPRGKRZSA-N 0 1 296.370 3.996 20 0 CHADMN CSCC(C)(C)NCc1cc(-c2cccs2)on1 ZINC000934678131 1128466009 /nfs/dbraw/zinc/46/60/09/1128466009.db2.gz NLIJJAMLNUZMGQ-UHFFFAOYSA-N 0 1 282.434 3.634 20 0 CHADMN CC(C)(CSc1nc(-c2ccccn2)n[nH]1)CC(F)F ZINC000917072203 1128475651 /nfs/dbraw/zinc/47/56/51/1128475651.db2.gz OOGAINKCHRAELF-UHFFFAOYSA-N 0 1 298.362 3.640 20 0 CHADMN CCCCOC(=O)CCN(C)[C@@H](C)c1ccccc1F ZINC000917064364 1128472901 /nfs/dbraw/zinc/47/29/01/1128472901.db2.gz QBCDRBODGHNCIE-ZDUSSCGKSA-N 0 1 281.371 3.552 20 0 CHADMN Fc1cccc(CN(C[C@@H]2CC2(Cl)Cl)C2CC2)c1 ZINC000917066366 1128473835 /nfs/dbraw/zinc/47/38/35/1128473835.db2.gz ANFXJOGUAIGZMI-NSHDSACASA-N 0 1 288.193 3.984 20 0 CHADMN Cc1cccc(CN[C@H](C)c2cc(C)c(F)c(C)c2)n1 ZINC000127330576 1128475750 /nfs/dbraw/zinc/47/57/50/1128475750.db2.gz IGETUQGZXPBINC-CQSZACIVSA-N 0 1 272.367 3.997 20 0 CHADMN c1ccc2c(c1)[nH]c1c2CN([C@H]2C=CCCC2)CC1 ZINC000066534715 1128474591 /nfs/dbraw/zinc/47/45/91/1128474591.db2.gz IKEJQIHLIBCKLW-ZDUSSCGKSA-N 0 1 252.361 3.635 20 0 CHADMN CO[C@H](C)c1nc(CN2CC[C@H](C)C[C@@H](C)C2)cs1 ZINC000127258078 1128474811 /nfs/dbraw/zinc/47/48/11/1128474811.db2.gz NCQNDTABDRESKG-YNEHKIRRSA-N 0 1 282.453 3.719 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000563892843 1128483601 /nfs/dbraw/zinc/48/36/01/1128483601.db2.gz VPAARBSHNHQZDN-QGZVFWFLSA-N 0 1 283.371 3.587 20 0 CHADMN CC1(C)CN(Cc2cccc(O)c2)Cc2ccccc2O1 ZINC000563916974 1128484927 /nfs/dbraw/zinc/48/49/27/1128484927.db2.gz XWEMSTCWSIZMNX-UHFFFAOYSA-N 0 1 283.371 3.565 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226421265 1128485303 /nfs/dbraw/zinc/48/53/03/1128485303.db2.gz LFXZWLKUJIWICJ-QWRGUYRKSA-N 0 1 299.773 3.727 20 0 CHADMN CCC[C@H](C)CC[C@@H](C)[N@H+]1CCn2c(cnc2C)C1 ZINC001257478009 1128488802 /nfs/dbraw/zinc/48/88/02/1128488802.db2.gz PYRVLPVFAQDPHZ-UONOGXRCSA-N 0 1 263.429 3.612 20 0 CHADMN Cc1cc(Cl)ccc1-n1[nH]c(-c2ccccc2)cc1=O ZINC000917345899 1128495111 /nfs/dbraw/zinc/49/51/11/1128495111.db2.gz PMABBMNWDHCOAU-UHFFFAOYSA-N 0 1 284.746 3.789 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000935614039 1128496052 /nfs/dbraw/zinc/49/60/52/1128496052.db2.gz PPEDQRUOKAVJBO-XYYAHUGASA-N 0 1 283.375 3.636 20 0 CHADMN CC(C)Cc1ncc(CN2CC(C)(C)[C@H]2C2CC2)s1 ZINC000564506777 1128511138 /nfs/dbraw/zinc/51/11/38/1128511138.db2.gz SXCPEUYBJKYUBY-OAHLLOKOSA-N 0 1 278.465 3.962 20 0 CHADMN CCCC[C@H](CC)CCN1CCOC[C@H]1CC(F)F ZINC000564757663 1128515106 /nfs/dbraw/zinc/51/51/06/1128515106.db2.gz VTIVGCHPSATMDN-UONOGXRCSA-N 0 1 277.399 3.949 20 0 CHADMN NC1(c2noc(Cc3coc4ccccc34)n2)CCCCC1 ZINC000564833833 1128516145 /nfs/dbraw/zinc/51/61/45/1128516145.db2.gz XEQIXJQXXULOIU-UHFFFAOYSA-N 0 1 297.358 3.525 20 0 CHADMN C[N@@H+](Cc1csc2ccccc12)CC1(CC(=O)[O-])CC1 ZINC000565101592 1128519460 /nfs/dbraw/zinc/51/94/60/1128519460.db2.gz QFLLIJMTICNKPB-UHFFFAOYSA-N 0 1 289.400 3.588 20 0 CHADMN Cc1cccc(CN[C@H](C)c2cnc3ccsc3c2)n1 ZINC000068691885 1128519713 /nfs/dbraw/zinc/51/97/13/1128519713.db2.gz ZRHXEKGVOOPQOR-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN C[C@H]1c2ccccc2CC[N@@H+]1CCc1ccccc1C(=O)[O-] ZINC000565106850 1128519965 /nfs/dbraw/zinc/51/99/65/1128519965.db2.gz MNVANTYFSJOJBI-AWEZNQCLSA-N 0 1 295.382 3.547 20 0 CHADMN C[C@@H](C[N@H+](Cc1ccccc1)CC1=CCCCC1)C(=O)[O-] ZINC000565103271 1128520090 /nfs/dbraw/zinc/52/00/90/1128520090.db2.gz DVVUULHVMFZQBC-HNNXBMFYSA-N 0 1 287.403 3.710 20 0 CHADMN CCOc1cccc(Cl)c1CN1CC[C@H](OC)C[C@H]1C ZINC000565162811 1128520899 /nfs/dbraw/zinc/52/08/99/1128520899.db2.gz IQPWCIAEGICNDL-OLZOCXBDSA-N 0 1 297.826 3.738 20 0 CHADMN Cc1nc(CN[C@@H]2c3cccc(F)c3CC[C@H]2C)[nH]c1C ZINC000565243397 1128522802 /nfs/dbraw/zinc/52/28/02/1128522802.db2.gz YDZLMGCLDRJFGD-QGHHPUGFSA-N 0 1 287.382 3.579 20 0 CHADMN CC/C=C/CC[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000565255087 1128523385 /nfs/dbraw/zinc/52/33/85/1128523385.db2.gz QFPLGZZHXXFEHN-PIGHNIFASA-N 0 1 273.376 3.633 20 0 CHADMN Cc1nc(C)c(CN2CC[C@](F)(c3ccccc3)C2)s1 ZINC000565493429 1128527733 /nfs/dbraw/zinc/52/77/33/1128527733.db2.gz WKUDECVMJATDFD-MRXNPFEDSA-N 0 1 290.407 3.831 20 0 CHADMN CCN(C(=O)c1ccc(O)c(Cl)c1)[C@@H](C)C(C)C ZINC000567178162 1128559869 /nfs/dbraw/zinc/55/98/69/1128559869.db2.gz YYIQTCPFFSOVTE-JTQLQIEISA-N 0 1 269.772 3.552 20 0 CHADMN O=C(Nc1nc2ccc(F)cc2[nH]1)C1(C2CCC2)CCC1 ZINC000566052832 1128537599 /nfs/dbraw/zinc/53/75/99/1128537599.db2.gz JJBUQDSAEODDPG-UHFFFAOYSA-N 0 1 287.338 3.611 20 0 CHADMN CCC[N@@H+](Cc1ccoc1C(=O)[O-])Cc1ccc(C)cc1 ZINC000566359237 1128542563 /nfs/dbraw/zinc/54/25/63/1128542563.db2.gz DUYFBWRTDCOAOL-UHFFFAOYSA-N 0 1 287.359 3.698 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)CC1(C)C ZINC000566361679 1128542595 /nfs/dbraw/zinc/54/25/95/1128542595.db2.gz MAMGOQVDFBUCKD-LLVKDONJSA-N 0 1 295.810 3.906 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000566363648 1128542947 /nfs/dbraw/zinc/54/29/47/1128542947.db2.gz QSPZSUHHDGQNOD-WMLDXEAASA-N 0 1 289.419 3.828 20 0 CHADMN C[C@H]1CC[C@]2(CCN(Cc3cc(C(C)(C)C)on3)C2)C1 ZINC000566554312 1128546326 /nfs/dbraw/zinc/54/63/26/1128546326.db2.gz UELHSMRAGDXUSR-GUYCJALGSA-N 0 1 276.424 3.984 20 0 CHADMN Cc1nsc(C)c1C[N@H+](C)C1CC(OC(C)(C)C)C1 ZINC000566628673 1128548480 /nfs/dbraw/zinc/54/84/80/1128548480.db2.gz RFMKUUUALDKIAB-UHFFFAOYSA-N 0 1 282.453 3.538 20 0 CHADMN Cc1nsc(C)c1CN(C)C1CC(OC(C)(C)C)C1 ZINC000566628673 1128548481 /nfs/dbraw/zinc/54/84/81/1128548481.db2.gz RFMKUUUALDKIAB-UHFFFAOYSA-N 0 1 282.453 3.538 20 0 CHADMN C[C@@H]1CN(Cc2ccc(OCc3ccccc3)nc2)[C@@H]1C ZINC000567286778 1128561721 /nfs/dbraw/zinc/56/17/21/1128561721.db2.gz WONSSVJJAIORKJ-HUUCEWRRSA-N 0 1 282.387 3.501 20 0 CHADMN CCCC[C@H](C)N(C)Cc1nc(-c2ccsc2)no1 ZINC000566826853 1128552117 /nfs/dbraw/zinc/55/21/17/1128552117.db2.gz VAGMPJQUHXOORO-NSHDSACASA-N 0 1 279.409 3.809 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@H](Cc3ccc(C)cc3)C2)o1 ZINC000566987963 1128555973 /nfs/dbraw/zinc/55/59/73/1128555973.db2.gz IRAUEALVLZEOIO-WMLDXEAASA-N 0 1 299.418 3.702 20 0 CHADMN CC(C)COCCN[C@H](C)c1ccc(F)cc1Cl ZINC000129798314 1128556246 /nfs/dbraw/zinc/55/62/46/1128556246.db2.gz TWGUSGWUYCIWGJ-LLVKDONJSA-N 0 1 273.779 3.802 20 0 CHADMN CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ncccc1[O-] ZINC000567026163 1128556825 /nfs/dbraw/zinc/55/68/25/1128556825.db2.gz VGOSFHGJTWIUBI-FUHWJXTLSA-N 0 1 296.414 3.945 20 0 CHADMN Cc1ncncc1[C@H](C)NCc1cccc(C(C)C)c1 ZINC000567290961 1128562544 /nfs/dbraw/zinc/56/25/44/1128562544.db2.gz QKWNFYHIQHOQKH-ZDUSSCGKSA-N 0 1 269.392 3.759 20 0 CHADMN CC1=CCCN(Cc2nc(C(C)C)n3ccccc23)C1 ZINC000567394983 1128563851 /nfs/dbraw/zinc/56/38/51/1128563851.db2.gz SKVXCAQNWFBNLB-UHFFFAOYSA-N 0 1 269.392 3.610 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CCSC(C)C)CC(=O)[O-] ZINC000567409085 1128564235 /nfs/dbraw/zinc/56/42/35/1128564235.db2.gz QHFJUPYHRCBXMI-HNNXBMFYSA-N 0 1 295.448 3.666 20 0 CHADMN CC(C)(C)C1CC(N[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000556223831 1128564985 /nfs/dbraw/zinc/56/49/85/1128564985.db2.gz ZLNPEGBPQQVBNB-UYSNPLJNSA-N 0 1 283.419 3.913 20 0 CHADMN CN(CCSc1ccc(Cl)cc1)Cc1cccnc1 ZINC000130092679 1128565612 /nfs/dbraw/zinc/56/56/12/1128565612.db2.gz BOLPUQZRZGSPRL-UHFFFAOYSA-N 0 1 292.835 3.959 20 0 CHADMN CCc1ccc(CN2C[C@@H](C)[C@H]2c2ccccc2)nc1 ZINC000567490761 1128565833 /nfs/dbraw/zinc/56/58/33/1128565833.db2.gz ZIUAXIZBNBMURI-KDOFPFPSSA-N 0 1 266.388 3.837 20 0 CHADMN CCc1cc(C(=O)N(CC)[C@H](CC)c2ccccc2)n[nH]1 ZINC000498812909 1128613465 /nfs/dbraw/zinc/61/34/65/1128613465.db2.gz ROMWDMKDCYWEFO-MRXNPFEDSA-N 0 1 285.391 3.586 20 0 CHADMN COC[C@@H](N[C@H]1CCC[C@H]1F)c1cccc(Cl)c1 ZINC000556257401 1128569177 /nfs/dbraw/zinc/56/91/77/1128569177.db2.gz DEIGHLKAUWRJPF-HZSPNIEDSA-N 0 1 271.763 3.508 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H]1C(C)(C)CC ZINC000569981767 1128613559 /nfs/dbraw/zinc/61/35/59/1128613559.db2.gz QQBQFIYQHDROES-HNNXBMFYSA-N 0 1 293.407 3.941 20 0 CHADMN CC[C@H](C(=O)O[C@@H](C)c1ccc(F)cc1)N(CC)CC ZINC000778618412 1128574683 /nfs/dbraw/zinc/57/46/83/1128574683.db2.gz SHWGVKRCNNJCNH-SWLSCSKDSA-N 0 1 281.371 3.550 20 0 CHADMN CCO[C@H]1C[C@H]1NC1c2ccccc2-c2ccccc21 ZINC000568021122 1128576008 /nfs/dbraw/zinc/57/60/08/1128576008.db2.gz TZVHOMRZOFYQDE-SJORKVTESA-N 0 1 265.356 3.523 20 0 CHADMN C[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1(C)C ZINC000568066341 1128576963 /nfs/dbraw/zinc/57/69/63/1128576963.db2.gz XQJBHITZEGROCE-FZMZJTMJSA-N 0 1 295.810 3.834 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000568058145 1128577262 /nfs/dbraw/zinc/57/72/62/1128577262.db2.gz CINXZGFDUYFSQS-HOCLYGCPSA-N 0 1 297.345 3.603 20 0 CHADMN COc1ccc([C@@H](C)NCc2c(C)nsc2C)cc1 ZINC000568167649 1128579788 /nfs/dbraw/zinc/57/97/88/1128579788.db2.gz KWHFOZWUFGQCFO-SNVBAGLBSA-N 0 1 276.405 3.619 20 0 CHADMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000568288666 1128582243 /nfs/dbraw/zinc/58/22/43/1128582243.db2.gz HDVLVULGMZZEBA-NWDGAFQWSA-N 0 1 293.382 3.923 20 0 CHADMN CC(C)N(Cc1ccc(CO)o1)[C@H](C)c1ccsc1 ZINC000568380353 1128583653 /nfs/dbraw/zinc/58/36/53/1128583653.db2.gz AEYWNIWXWGJJGH-GFCCVEGCSA-N 0 1 279.405 3.805 20 0 CHADMN COc1ccnc(CN2Cc3cc(C)ccc3CC2(C)C)c1 ZINC000568904500 1128594070 /nfs/dbraw/zinc/59/40/70/1128594070.db2.gz GUJXXWPLPHGNPO-UHFFFAOYSA-N 0 1 296.414 3.736 20 0 CHADMN CC1(C)CN(Cc2ccnn2-c2ccc(F)cc2)[C@H]1C1CC1 ZINC000568921262 1128594707 /nfs/dbraw/zinc/59/47/07/1128594707.db2.gz DAQISOAUTHQZTF-KRWDZBQOSA-N 0 1 299.393 3.632 20 0 CHADMN CC(C)C[C@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)on1 ZINC000569037425 1128596567 /nfs/dbraw/zinc/59/65/67/1128596567.db2.gz NEFNNBLCEWHOLA-CQSZACIVSA-N 0 1 264.413 3.983 20 0 CHADMN CC(C)C[C@H]1CCCN1Cc1cc(C(C)(C)C)on1 ZINC000569037425 1128596570 /nfs/dbraw/zinc/59/65/70/1128596570.db2.gz NEFNNBLCEWHOLA-CQSZACIVSA-N 0 1 264.413 3.983 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@H]2c2cccc(C)n2)o1 ZINC000569066091 1128597886 /nfs/dbraw/zinc/59/78/86/1128597886.db2.gz ZLNFNAVUNIOFCG-HNNXBMFYSA-N 0 1 285.391 3.586 20 0 CHADMN C/C=C\c1ccc(NC(=O)[C@H]2CCCCN2CC)cc1 ZINC000569143610 1128599129 /nfs/dbraw/zinc/59/91/29/1128599129.db2.gz HBBSZNXGAKSNRE-NKPXIPJASA-N 0 1 272.392 3.533 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N(C)Cc2cncs2)c1 ZINC000131359504 1128615975 /nfs/dbraw/zinc/61/59/75/1128615975.db2.gz TXLLEKVVESUWNN-CYBMUJFWSA-N 0 1 260.406 3.953 20 0 CHADMN O=C([O-])CCCC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000569793905 1128610008 /nfs/dbraw/zinc/61/00/08/1128610008.db2.gz ILJHXCJEZKTVPP-KRWDZBQOSA-N 0 1 287.403 3.783 20 0 CHADMN Cc1ccc(CN[C@@H]2c3ccccc3O[C@H]2C)cc1F ZINC000569883156 1128611544 /nfs/dbraw/zinc/61/15/44/1128611544.db2.gz DRZGTMJOTMSBOR-SJCJKPOMSA-N 0 1 271.335 3.746 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)N2CCCCCC2)n1 ZINC000072513255 1128619642 /nfs/dbraw/zinc/61/96/42/1128619642.db2.gz UBYWCEIZBHOHJQ-CQSZACIVSA-N 0 1 285.391 3.982 20 0 CHADMN CC[C@@H](C)[N@@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000072601552 1128624661 /nfs/dbraw/zinc/62/46/61/1128624661.db2.gz PWCFQBYYYDBBPV-SNVBAGLBSA-N 0 1 267.323 3.662 20 0 CHADMN CC[C@@H](C)N(C)Cc1nc2ccccc2n1C(F)F ZINC000072601552 1128624663 /nfs/dbraw/zinc/62/46/63/1128624663.db2.gz PWCFQBYYYDBBPV-SNVBAGLBSA-N 0 1 267.323 3.662 20 0 CHADMN C[C@H](F)CCN1CCCC[C@H]1c1nc2ccccc2n1C ZINC000556811940 1128626551 /nfs/dbraw/zinc/62/65/51/1128626551.db2.gz NULPPMYOJFDKET-BBRMVZONSA-N 0 1 289.398 3.848 20 0 CHADMN CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000131572248 1128628100 /nfs/dbraw/zinc/62/81/00/1128628100.db2.gz MIWPUQUBYOUASE-LLVKDONJSA-N 0 1 281.783 3.554 20 0 CHADMN O=C([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000570638084 1128628393 /nfs/dbraw/zinc/62/83/93/1128628393.db2.gz KLFLLQIWDUHXHP-IAQYHMDHSA-N 0 1 293.794 3.803 20 0 CHADMN COc1ccc(F)c(CN[C@@H]2c3ccccc3C[C@@H]2C)c1 ZINC000570701302 1128629854 /nfs/dbraw/zinc/62/98/54/1128629854.db2.gz JHIAGCUIWCMNTO-SGTLLEGYSA-N 0 1 285.362 3.857 20 0 CHADMN C[C@@H](Cc1ccsc1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000570717601 1128630475 /nfs/dbraw/zinc/63/04/75/1128630475.db2.gz HUGRIGATXMMALT-GXTWGEPZSA-N 0 1 275.421 3.629 20 0 CHADMN CO[C@H](c1ccccc1)[C@H](C)NCc1noc2ccccc12 ZINC000570941616 1128635514 /nfs/dbraw/zinc/63/55/14/1128635514.db2.gz PJGNZWYFNRKKSY-UGSOOPFHSA-N 0 1 296.370 3.694 20 0 CHADMN CCc1cnc(CN[C@@H](C)[C@H]2CCC[C@H](C)C2)o1 ZINC000570772397 1128632354 /nfs/dbraw/zinc/63/23/54/1128632354.db2.gz KWQDMKYKANFUNJ-AVGNSLFASA-N 0 1 250.386 3.541 20 0 CHADMN CC(C)[C@@H]1CC[C@H]1NCc1cc(COC(C)(C)C)on1 ZINC000556893563 1128637092 /nfs/dbraw/zinc/63/70/92/1128637092.db2.gz VTOAJRIXHLYEBB-LSDHHAIUSA-N 0 1 280.412 3.514 20 0 CHADMN CCOC[C@@H]1CCCN([C@@H](C)c2cc(F)ccc2F)C1 ZINC000072975815 1128637482 /nfs/dbraw/zinc/63/74/82/1128637482.db2.gz YTJFDVNEXVXCIC-QWHCGFSZSA-N 0 1 283.362 3.774 20 0 CHADMN Cc1c(F)cccc1NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000073392247 1128642870 /nfs/dbraw/zinc/64/28/70/1128642870.db2.gz JLNOFTBHTAFNGZ-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN CCCCc1ccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000132199738 1128645330 /nfs/dbraw/zinc/64/53/30/1128645330.db2.gz GVPFVYOGFVLXKK-OAHLLOKOSA-N 0 1 297.402 3.811 20 0 CHADMN C[C@H](NCc1ccc2c(c1)COC2)c1ccc(F)cc1F ZINC000763444419 1128649741 /nfs/dbraw/zinc/64/97/41/1128649741.db2.gz LBQKCVGOQZAXKQ-NSHDSACASA-N 0 1 289.325 3.846 20 0 CHADMN CCCN(C(=O)c1cc(CC)[nH]n1)[C@@H](CC)c1ccccc1 ZINC000499121275 1128650328 /nfs/dbraw/zinc/65/03/28/1128650328.db2.gz JXHCCCBJJLBHAH-KRWDZBQOSA-N 0 1 299.418 3.976 20 0 CHADMN C[C@@H](CC(C)(C)c1ccccc1)NCC(C)(F)F ZINC000572622868 1128646330 /nfs/dbraw/zinc/64/63/30/1128646330.db2.gz FLIFZFHKVMUBET-LBPRGKRZSA-N 0 1 255.352 3.988 20 0 CHADMN CN(CC1CC1)Cn1c2cc(Cl)ccc2oc1=S ZINC000919943982 1128652417 /nfs/dbraw/zinc/65/24/17/1128652417.db2.gz OBRRGGIUHQRCGF-UHFFFAOYSA-N 0 1 282.796 3.916 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccccc2)[C@@H](CC)C1 ZINC000573379832 1128653558 /nfs/dbraw/zinc/65/35/58/1128653558.db2.gz SVGPBGMMLOFBPM-USXIJHARSA-N 0 1 289.419 3.755 20 0 CHADMN CC[C@@H]1CCC[N@@H+](CC[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000573379499 1128653949 /nfs/dbraw/zinc/65/39/49/1128653949.db2.gz KAYUJWVSXDXFTN-NVXWUHKLSA-N 0 1 289.419 3.757 20 0 CHADMN Cc1ccccc1[C@H](C)N(C)Cc1cnc(Cl)cn1 ZINC000799116408 1128657663 /nfs/dbraw/zinc/65/76/63/1128657663.db2.gz KKUQZHRSUVRYLS-LBPRGKRZSA-N 0 1 275.783 3.631 20 0 CHADMN CC(C)[C@@H]1CCN(Cc2csc(-c3ccco3)n2)C1 ZINC000557009658 1128658428 /nfs/dbraw/zinc/65/84/28/1128658428.db2.gz XFCCIRAWLJJBLC-GFCCVEGCSA-N 0 1 276.405 3.881 20 0 CHADMN CN(Cc1cccc(Cl)c1Cl)C[C@H](O)C(C)(C)C ZINC000573955796 1128660679 /nfs/dbraw/zinc/66/06/79/1128660679.db2.gz KNZNDWYCRAPFTG-LBPRGKRZSA-N 0 1 290.234 3.832 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000574165189 1128662034 /nfs/dbraw/zinc/66/20/34/1128662034.db2.gz XFDWHOKFOSPJRR-KRWDZBQOSA-N 0 1 299.345 3.861 20 0 CHADMN COc1cccc(F)c1CN1CCCc2ccccc2C1 ZINC001138385678 1128664365 /nfs/dbraw/zinc/66/43/65/1128664365.db2.gz YFMZMOFGYMVEHS-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN CC(C)(C)c1nnc(CN(C2CC2)C2CCCCC2)o1 ZINC000047904158 1128674459 /nfs/dbraw/zinc/67/44/59/1128674459.db2.gz NOJQBJQQXZFLRM-UHFFFAOYSA-N 0 1 277.412 3.664 20 0 CHADMN C[C@H]1CN(C(=O)c2c(O)cccc2Cl)c2ccccc21 ZINC000920451311 1128682199 /nfs/dbraw/zinc/68/21/99/1128682199.db2.gz ARPZTPXVJOSSNS-JTQLQIEISA-N 0 1 287.746 3.810 20 0 CHADMN CC(C)[C@H]1CCCN1Cn1ccn(C(C)C)c1=S ZINC000920484987 1128684047 /nfs/dbraw/zinc/68/40/47/1128684047.db2.gz MUMKKOLWQFAONY-CYBMUJFWSA-N 0 1 267.442 3.678 20 0 CHADMN Clc1ccc(CNCc2ccnn2C2CCC2)cc1 ZINC000921476639 1128710425 /nfs/dbraw/zinc/71/04/25/1128710425.db2.gz JGWZLPIRTSOXOW-UHFFFAOYSA-N 0 1 275.783 3.551 20 0 CHADMN CCc1[nH]nc(Cl)c1CN[C@H]1CCCc2ccccc21 ZINC000921473418 1128710458 /nfs/dbraw/zinc/71/04/58/1128710458.db2.gz OXHUARHOMQTWPR-HNNXBMFYSA-N 0 1 289.810 3.793 20 0 CHADMN Cc1ccc2nc(CNC/C=C\c3ccc(F)cc3)cn2c1 ZINC000578254093 1128712784 /nfs/dbraw/zinc/71/27/84/1128712784.db2.gz HKBYULOKNYFNHE-IHWYPQMZSA-N 0 1 295.361 3.585 20 0 CHADMN CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000609635845 1128721540 /nfs/dbraw/zinc/72/15/40/1128721540.db2.gz SJECKPBRUIDEJL-RDJZCZTQSA-N 0 1 279.424 3.541 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1ccc(C(=O)OC)o1 ZINC000609625617 1128719789 /nfs/dbraw/zinc/71/97/89/1128719789.db2.gz BXQMRAYLXYSTAR-MRXNPFEDSA-N 0 1 299.370 3.576 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000578660430 1128725135 /nfs/dbraw/zinc/72/51/35/1128725135.db2.gz GTXADIPITYXHEQ-QGZVFWFLSA-N 0 1 289.419 3.729 20 0 CHADMN CC(C)C[C@H](C)C[C@@H](C)NCc1nccc(OC(C)C)n1 ZINC001258061928 1128725443 /nfs/dbraw/zinc/72/54/43/1128725443.db2.gz IODGEPJHJCJXAZ-LSDHHAIUSA-N 0 1 293.455 3.814 20 0 CHADMN CCCCC[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000578660366 1128725530 /nfs/dbraw/zinc/72/55/30/1128725530.db2.gz DGLKVKMJDAHOBE-UHFFFAOYSA-N 0 1 263.381 3.544 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1CCCCCC(=O)[O-] ZINC000578756411 1128728120 /nfs/dbraw/zinc/72/81/20/1128728120.db2.gz RRXXLYZOKPLJER-AWEZNQCLSA-N 0 1 255.402 3.532 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)[C@H]1CO ZINC000578820828 1128730393 /nfs/dbraw/zinc/73/03/93/1128730393.db2.gz PSODKWBZAOTRKS-YGRLFVJLSA-N 0 1 288.218 3.586 20 0 CHADMN Cc1cc(C)cc([C@H]2CC[N@@H+](Cc3occc3C(=O)[O-])C2)c1 ZINC000578874671 1128732019 /nfs/dbraw/zinc/73/20/19/1128732019.db2.gz CLUPOLJSECTRAI-AWEZNQCLSA-N 0 1 299.370 3.584 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CC[C@H](C)[S@](=O)CC1 ZINC000361115151 1117749133 /nfs/dbraw/zinc/74/91/33/1117749133.db2.gz WHXWPELTJFNDPD-TXPKVOOTSA-N 0 1 285.497 3.602 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)C(C1CC1)C1CC1 ZINC000274531387 1117751894 /nfs/dbraw/zinc/75/18/94/1117751894.db2.gz DELHVDRXQVPVQU-UHFFFAOYSA-N 0 1 283.730 3.559 20 0 CHADMN C[C@H](NCC(=O)Nc1ccccc1Cl)c1ccsc1 ZINC000061363354 1117753639 /nfs/dbraw/zinc/75/36/39/1117753639.db2.gz KRSHZNQYTIEMBI-JTQLQIEISA-N 0 1 294.807 3.691 20 0 CHADMN CC[C@H](C)N1CCN(C(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000622657552 1117753969 /nfs/dbraw/zinc/75/39/69/1117753969.db2.gz CWGCRDDFPOVELT-HOTGVXAUSA-N 0 1 294.483 3.536 20 0 CHADMN CCN(CCO[C@H]1CCCC[C@H]1C)Cc1ccoc1 ZINC000261409276 1117756917 /nfs/dbraw/zinc/75/69/17/1117756917.db2.gz OORCMANSEQCHNT-ZBFHGGJFSA-N 0 1 265.397 3.697 20 0 CHADMN C(=CC1CCCC1)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000579006743 1128735486 /nfs/dbraw/zinc/73/54/86/1128735486.db2.gz OCLDLPUTSFGCAV-VMPITWQZSA-N 0 1 280.331 3.816 20 0 CHADMN C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1cc(Cl)ccc1[O-] ZINC000185073969 1117759956 /nfs/dbraw/zinc/75/99/56/1117759956.db2.gz RHZKEMZXIINHCX-SECBINFHSA-N 0 1 297.185 3.945 20 0 CHADMN Clc1csc(CN2CCOC[C@@H](C3CCC3)C2)c1 ZINC000430142441 1117766847 /nfs/dbraw/zinc/76/68/47/1117766847.db2.gz CDMOHLIHPHLBOF-LBPRGKRZSA-N 0 1 285.840 3.650 20 0 CHADMN COc1ccsc1[C@H](C)NCc1ccccc1N(C)C ZINC000274602624 1117767270 /nfs/dbraw/zinc/76/72/70/1117767270.db2.gz QOOSIDGWEYJNNH-LBPRGKRZSA-N 0 1 290.432 3.674 20 0 CHADMN COCC1=CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000578952018 1128734589 /nfs/dbraw/zinc/73/45/89/1128734589.db2.gz XYZUKRPXIHTSOL-UHFFFAOYSA-N 0 1 297.801 3.690 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1nccs1 ZINC000336722017 1117779603 /nfs/dbraw/zinc/77/96/03/1117779603.db2.gz DRBMFLMVNHIFMU-YUMQZZPRSA-N 0 1 252.305 3.525 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N(C)CC1CCCC1 ZINC000671240497 1117783861 /nfs/dbraw/zinc/78/38/61/1117783861.db2.gz QCGSIUZBOBEQGU-CYBMUJFWSA-N 0 1 285.391 3.920 20 0 CHADMN CC[N@@H+](Cc1cccc(F)c1F)CC1(C)CCOCC1 ZINC001208077230 1117789736 /nfs/dbraw/zinc/78/97/36/1117789736.db2.gz BZOLZGQFAZWJPK-UHFFFAOYSA-N 0 1 283.362 3.603 20 0 CHADMN Oc1cc(F)c(CN(Cc2ccco2)C2CC2)cc1Cl ZINC001238148898 1117792780 /nfs/dbraw/zinc/79/27/80/1117792780.db2.gz DEQYDXHAKJGFDU-UHFFFAOYSA-N 0 1 295.741 3.942 20 0 CHADMN Clc1ccc2c(c1)[C@H](NCc1ccns1)CC2 ZINC000858451131 1117793860 /nfs/dbraw/zinc/79/38/60/1117793860.db2.gz RLAJTJJJVUPOOI-CYBMUJFWSA-N 0 1 264.781 3.574 20 0 CHADMN C[C@@H]1C[C@H](C)CCN(Cc2nc(C3CCCC3)no2)C1 ZINC000127081698 1117813030 /nfs/dbraw/zinc/81/30/30/1117813030.db2.gz LNUNAHNZUJIERV-CHWSQXEVSA-N 0 1 277.412 3.595 20 0 CHADMN Cc1nc([C@H]2CCCCN2C[C@@H](C)C(C)(C)C)no1 ZINC000670262760 1117813131 /nfs/dbraw/zinc/81/31/31/1117813131.db2.gz IRSMFBQCEKLCDE-DGCLKSJQSA-N 0 1 265.401 3.587 20 0 CHADMN CCc1cccc(OCCN(CC)CCC(F)(F)F)c1 ZINC000623120662 1117815947 /nfs/dbraw/zinc/81/59/47/1117815947.db2.gz GJUIWSXUFGWLOD-UHFFFAOYSA-N 0 1 289.341 3.902 20 0 CHADMN c1coc(CN(CCc2ccccc2)Cc2ccncc2)c1 ZINC000349041663 1117816662 /nfs/dbraw/zinc/81/66/62/1117816662.db2.gz WBKRXYIDLAZITE-UHFFFAOYSA-N 0 1 292.382 3.920 20 0 CHADMN Cc1ccc(CC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000185421625 1117822894 /nfs/dbraw/zinc/82/28/94/1117822894.db2.gz URGJYVFJLUWHNQ-GFCCVEGCSA-N 0 1 290.794 3.642 20 0 CHADMN CC(C)C(C[N@H+]1CCOC[C@H]1c1ccco1)C(C)C ZINC000671306077 1117824299 /nfs/dbraw/zinc/82/42/99/1117824299.db2.gz MVZXWEDWKCVIMQ-HNNXBMFYSA-N 0 1 265.397 3.581 20 0 CHADMN CC(C)C(CN1CCOC[C@H]1c1ccco1)C(C)C ZINC000671306077 1117824304 /nfs/dbraw/zinc/82/43/04/1117824304.db2.gz MVZXWEDWKCVIMQ-HNNXBMFYSA-N 0 1 265.397 3.581 20 0 CHADMN CCCc1csc(CN2CCC[C@@H](CSC)C2)n1 ZINC000430190957 1117830867 /nfs/dbraw/zinc/83/08/67/1117830867.db2.gz ILEOFQFMGBRCCE-GFCCVEGCSA-N 0 1 284.494 3.671 20 0 CHADMN Brc1ccc(CN2CCC[C@@H]2C2CCC2)o1 ZINC000361565069 1117832059 /nfs/dbraw/zinc/83/20/59/1117832059.db2.gz OQGMEKINKQJMTF-GFCCVEGCSA-N 0 1 284.197 3.807 20 0 CHADMN Cc1cc(CN2CCC(F)(F)[C@H](C)C2)cc(C)c1F ZINC001143373780 1117833320 /nfs/dbraw/zinc/83/33/20/1117833320.db2.gz ACZSRHYVNKTPLS-GFCCVEGCSA-N 0 1 271.326 3.920 20 0 CHADMN COCC[C@H](NCc1ccc(F)cc1C)c1ccc(C)o1 ZINC000579164062 1128740134 /nfs/dbraw/zinc/74/01/34/1128740134.db2.gz YVYDARMYIQHYLR-INIZCTEOSA-N 0 1 291.366 3.903 20 0 CHADMN C[C@@H]1CCc2nc(CNc3cc4c(cn3)CCC4)sc2C1 ZINC000339553967 1117850631 /nfs/dbraw/zinc/85/06/31/1117850631.db2.gz JQXUESBZDQOULK-LLVKDONJSA-N 0 1 299.443 3.764 20 0 CHADMN Fc1ccc(Cl)cc1CNc1cc2c(cn1)CCC2 ZINC000339555063 1117851667 /nfs/dbraw/zinc/85/16/67/1117851667.db2.gz GPHRYJKYLWYQPE-UHFFFAOYSA-N 0 1 276.742 3.975 20 0 CHADMN CC(C)CCc1noc(CN2CCCC(C)(C)CC2)n1 ZINC000607748539 1117856963 /nfs/dbraw/zinc/85/69/63/1117856963.db2.gz XEWGOTHGPIRXRG-UHFFFAOYSA-N 0 1 279.428 3.670 20 0 CHADMN CN(Cc1cc[nH]c1)Cc1cc(Cl)cc(Cl)c1 ZINC000091955962 1117861514 /nfs/dbraw/zinc/86/15/14/1117861514.db2.gz LWXBBKGPRDMAKC-UHFFFAOYSA-N 0 1 269.175 3.954 20 0 CHADMN CCC/C(C)=C\C(=O)Nc1[nH]nc(-c2ccncc2)c1CC ZINC000728190729 1117863596 /nfs/dbraw/zinc/86/35/96/1117863596.db2.gz QPZKFUVOVRLQAA-QXMHVHEDSA-N 0 1 298.390 3.719 20 0 CHADMN Cc1cc(C(C)(C)C)cc(C)c1CCNCc1cocn1 ZINC000683201584 1117866413 /nfs/dbraw/zinc/86/64/13/1117866413.db2.gz VDMWFEZGSQBYTJ-UHFFFAOYSA-N 0 1 286.419 3.921 20 0 CHADMN Cc1ccnc(NCc2ccncc2Cl)c1C1CC1 ZINC000623564288 1117873126 /nfs/dbraw/zinc/87/31/26/1117873126.db2.gz XRWHUFVSPJIKJJ-UHFFFAOYSA-N 0 1 273.767 3.928 20 0 CHADMN Cc1cnccc1CN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000648509875 1117879567 /nfs/dbraw/zinc/87/95/67/1117879567.db2.gz HGJOHUQPAKNSAZ-YPMHNXCESA-N 0 1 272.314 3.553 20 0 CHADMN Cc1ccc(C(C)(C)CNCc2ncc(Cl)s2)nc1 ZINC000623648272 1117882012 /nfs/dbraw/zinc/88/20/12/1117882012.db2.gz CEAGKFFUSMQIQV-UHFFFAOYSA-N 0 1 295.839 3.567 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccoc2)cc1OC ZINC000177990648 1117884296 /nfs/dbraw/zinc/88/42/96/1117884296.db2.gz LYINJLQXYFEMBE-GFCCVEGCSA-N 0 1 275.348 3.538 20 0 CHADMN CC[C@@H]1C[C@@H](NCc2c(Cl)oc3ccccc32)CO1 ZINC000623644928 1117884839 /nfs/dbraw/zinc/88/48/39/1117884839.db2.gz GYXOIYCJQQNRIE-GHMZBOCLSA-N 0 1 279.767 3.743 20 0 CHADMN CCCN(Cc1nccc(C)n1)[C@@H]1CCc2ccccc21 ZINC000339584880 1117888708 /nfs/dbraw/zinc/88/87/08/1117888708.db2.gz MBTKMMRIXPSZMY-QGZVFWFLSA-N 0 1 281.403 3.685 20 0 CHADMN CCC(F)(F)CN[C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000623679193 1117889312 /nfs/dbraw/zinc/88/93/12/1117889312.db2.gz LVLKDXFXJHZJKV-GXTWGEPZSA-N 0 1 268.351 3.743 20 0 CHADMN Cc1cccc(CN[C@@H]2CC(C)(C)c3ccccc32)n1 ZINC000178416902 1117891521 /nfs/dbraw/zinc/89/15/21/1117891521.db2.gz KFDMPIRFTVAVBE-QGZVFWFLSA-N 0 1 266.388 3.902 20 0 CHADMN Cc1ncccc1CNCc1ccsc1C(F)(F)F ZINC000623703676 1117895507 /nfs/dbraw/zinc/89/55/07/1117895507.db2.gz XOFMTJAMVZPGRZ-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1cc2ccccc2o1 ZINC000579254075 1128742381 /nfs/dbraw/zinc/74/23/81/1128742381.db2.gz ZJPJFKQTLMQQGQ-XUJVJEKNSA-N 0 1 287.359 3.506 20 0 CHADMN OC[C@H](N[C@H]1CCc2c1cccc2Cl)c1ccsc1 ZINC000349409570 1117898879 /nfs/dbraw/zinc/89/88/79/1117898879.db2.gz KUPRSZNOXJETSJ-GJZGRUSLSA-N 0 1 293.819 3.712 20 0 CHADMN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2c(C)nsc2C)C1 ZINC000579245938 1128742578 /nfs/dbraw/zinc/74/25/78/1128742578.db2.gz WJVYWVVBWSBDKZ-OLZOCXBDSA-N 0 1 284.494 3.866 20 0 CHADMN COC(=O)c1oc(CN[C@@H](c2ccccc2)C2CC2)cc1C ZINC000179104846 1117901084 /nfs/dbraw/zinc/90/10/84/1117901084.db2.gz KSQYAGSZRYLMRR-INIZCTEOSA-N 0 1 299.370 3.616 20 0 CHADMN CC[C@@H](C)C[N@@H+](C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430235079 1117903362 /nfs/dbraw/zinc/90/33/62/1117903362.db2.gz CFIQINZPLUOZAJ-CQSZACIVSA-N 0 1 299.418 3.630 20 0 CHADMN C/C=C\CNCc1csc(-c2ccsc2)n1 ZINC000623739260 1117908664 /nfs/dbraw/zinc/90/86/64/1117908664.db2.gz ORYWOVXQJYANQI-IHWYPQMZSA-N 0 1 250.392 3.537 20 0 CHADMN CC[C@@H](NCc1nc(C)c[nH]1)c1cc(C)ccc1C ZINC000623752276 1117919779 /nfs/dbraw/zinc/91/97/79/1117919779.db2.gz CMUCVPWZJKIPCS-OAHLLOKOSA-N 0 1 257.381 3.576 20 0 CHADMN Clc1cccc(CN(Cc2cccnc2)C2CC2)c1 ZINC000180267444 1117925788 /nfs/dbraw/zinc/92/57/88/1117925788.db2.gz STVDEMNPQQIMKK-UHFFFAOYSA-N 0 1 272.779 3.900 20 0 CHADMN CC(C)c1ccc(-c2noc(C3(N)CCCC3)n2)cc1 ZINC000041032695 1117930301 /nfs/dbraw/zinc/93/03/01/1117930301.db2.gz XNGAQWDYVLBHNV-UHFFFAOYSA-N 0 1 271.364 3.588 20 0 CHADMN C[C@@H]1CN(Cc2cn(C)nc2C(C)(C)C)[C@@H]1c1ccccc1 ZINC000180653935 1117936928 /nfs/dbraw/zinc/93/69/28/1117936928.db2.gz XGVZNLKVAUZWAU-PBHICJAKSA-N 0 1 297.446 3.911 20 0 CHADMN Cc1cccc(C[N@@H+](C)Cc2ccc3c(c2)CCCC3)n1 ZINC000430257269 1117941015 /nfs/dbraw/zinc/94/10/15/1117941015.db2.gz ZSHUETGHDBHGJF-UHFFFAOYSA-N 0 1 280.415 3.901 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc3c(c2)CCCC3)n1 ZINC000430257269 1117941017 /nfs/dbraw/zinc/94/10/17/1117941017.db2.gz ZSHUETGHDBHGJF-UHFFFAOYSA-N 0 1 280.415 3.901 20 0 CHADMN O=C(c1cccc2[nH]cnc21)N1CCC[C@H]1CC1CCCC1 ZINC000655364256 1117942881 /nfs/dbraw/zinc/94/28/81/1117942881.db2.gz JNCJRSDIIPVALO-AWEZNQCLSA-N 0 1 297.402 3.748 20 0 CHADMN CCCC[N@@H+](Cc1nnc(C)o1)[C@@H]1CCC[C@@H](C)C1 ZINC000339649295 1117946483 /nfs/dbraw/zinc/94/64/83/1117946483.db2.gz UEITYMJJWXDLKO-TZMCWYRMSA-N 0 1 265.401 3.559 20 0 CHADMN CC(C)COC[C@H](N[C@@H](C)[C@H]1CCCCO1)c1ccco1 ZINC000623882844 1117948198 /nfs/dbraw/zinc/94/81/98/1117948198.db2.gz KSIMYZWCMUHTLX-HRCADAONSA-N 0 1 295.423 3.541 20 0 CHADMN Cc1ccnc(CN2CC[C@@](C)(CCc3ccccc3)C2)n1 ZINC000339662856 1117949861 /nfs/dbraw/zinc/94/98/61/1117949861.db2.gz QBNGDVKDAYTVAJ-LJQANCHMSA-N 0 1 295.430 3.630 20 0 CHADMN Cc1ccnc(CN2CC[C@](C)(CCc3ccccc3)C2)n1 ZINC000339662855 1117950517 /nfs/dbraw/zinc/95/05/17/1117950517.db2.gz QBNGDVKDAYTVAJ-IBGZPJMESA-N 0 1 295.430 3.630 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1cnc(Cl)s1 ZINC000179510307 1128746147 /nfs/dbraw/zinc/74/61/47/1128746147.db2.gz WHOGFOZHNUSSNM-SNVBAGLBSA-N 0 1 258.818 3.951 20 0 CHADMN C[C@@H](N[C@@H]1CC1(C)C)c1cc(-c2ccccc2)n(C)n1 ZINC000623933217 1117955466 /nfs/dbraw/zinc/95/54/66/1117955466.db2.gz WJSDWZRVFLZZGU-MLGOLLRUSA-N 0 1 269.392 3.536 20 0 CHADMN CCN(Cc1ccccc1F)C[C@H](C)C(F)(F)F ZINC001208906423 1117961434 /nfs/dbraw/zinc/96/14/34/1117961434.db2.gz WLJJMXVBMDXGDW-JTQLQIEISA-N 0 1 263.278 3.846 20 0 CHADMN Cc1cccc([C@@H](N[C@@H](CCO)c2ccco2)C(C)C)c1 ZINC000623961871 1117962199 /nfs/dbraw/zinc/96/21/99/1117962199.db2.gz QNTKNBQQLUGGRR-WMZOPIPTSA-N 0 1 287.403 3.998 20 0 CHADMN CC(C)C[C@@H]1OCCC[C@@H]1N[C@H]1CCCc2scnc21 ZINC000623964053 1117963198 /nfs/dbraw/zinc/96/31/98/1117963198.db2.gz YBHKANYTXBSCPO-IHRRRGAJSA-N 0 1 294.464 3.704 20 0 CHADMN Cc1ccc(F)c(-c2ccc3nc[nH]c3c2C)c1O ZINC001236405671 1128747030 /nfs/dbraw/zinc/74/70/30/1128747030.db2.gz ZOCZYDZQPBUIQX-UHFFFAOYSA-N 0 1 256.280 3.691 20 0 CHADMN CCn1nccc1CN[C@H](C)c1cccc(C(C)C)c1 ZINC000624017409 1117971001 /nfs/dbraw/zinc/97/10/01/1117971001.db2.gz ZRPFPNWYXRRQKY-CQSZACIVSA-N 0 1 271.408 3.877 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc3ccccc32)ncn1 ZINC000339754303 1117972409 /nfs/dbraw/zinc/97/24/09/1117972409.db2.gz QIEJGUGBQKDYAQ-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN c1cnc2ccc(CN3CCOC[C@H]3CC3CCC3)cc2c1 ZINC000339776793 1117975850 /nfs/dbraw/zinc/97/58/50/1117975850.db2.gz MISPOECXKZXRTM-GOSISDBHSA-N 0 1 296.414 3.626 20 0 CHADMN FC(F)(F)CCCCN1CCOC[C@H]1CC1CCC1 ZINC000339776808 1117976004 /nfs/dbraw/zinc/97/60/04/1117976004.db2.gz MPMVCURIIWQONM-CYBMUJFWSA-N 0 1 279.346 3.610 20 0 CHADMN CCC[C@@H](CN[C@@H](C)c1nc(C)sc1C)OCC ZINC000624049232 1117976212 /nfs/dbraw/zinc/97/62/12/1117976212.db2.gz BXRPYTOKEBUFPH-GWCFXTLKSA-N 0 1 270.442 3.616 20 0 CHADMN CCC[C@H](CN[C@H](C)c1nc(C)sc1C)OCC ZINC000624049235 1117976560 /nfs/dbraw/zinc/97/65/60/1117976560.db2.gz BXRPYTOKEBUFPH-ZWNOBZJWSA-N 0 1 270.442 3.616 20 0 CHADMN CCN(C(=O)c1ccc2cncn2c1)c1cc(C)ccc1C ZINC000339812207 1117978748 /nfs/dbraw/zinc/97/87/48/1117978748.db2.gz BORAUBHKSGOEMD-UHFFFAOYSA-N 0 1 293.370 3.618 20 0 CHADMN COc1cc(C)nc(CN(Cc2ccccc2)C2CC2)c1 ZINC000339832267 1117982352 /nfs/dbraw/zinc/98/23/52/1117982352.db2.gz XGJMIZAFTRRCEB-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@H+]([C@@H](C)c2ccccc2Cl)C1 ZINC000232792883 1117987979 /nfs/dbraw/zinc/98/79/79/1117987979.db2.gz SSWRFEYXYQKZDP-BLLLJJGKSA-N 0 1 295.810 3.834 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000430280527 1117988773 /nfs/dbraw/zinc/98/87/73/1117988773.db2.gz PTHQFUPOTNMXEY-GFCCVEGCSA-N 0 1 286.350 3.879 20 0 CHADMN CCC(F)(F)CN[C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000624147498 1117988975 /nfs/dbraw/zinc/98/89/75/1117988975.db2.gz BXHISISJNJKEDW-NWDGAFQWSA-N 0 1 271.351 3.822 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000232782229 1117989710 /nfs/dbraw/zinc/98/97/10/1117989710.db2.gz HSWMAQQBUZIXJX-MRXNPFEDSA-N 0 1 297.345 3.557 20 0 CHADMN C[C@@H](N[C@@H](C)Cc1coc2ccccc12)c1csnn1 ZINC000579447860 1128748324 /nfs/dbraw/zinc/74/83/24/1128748324.db2.gz FKIFTXGIMSJFFP-WDEREUQCSA-N 0 1 287.388 3.566 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000579447909 1128748375 /nfs/dbraw/zinc/74/83/75/1128748375.db2.gz NCGGYFBOTQVFPY-MRXNPFEDSA-N 0 1 294.398 3.557 20 0 CHADMN [O-]c1cccnc1C[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000579447909 1128748377 /nfs/dbraw/zinc/74/83/77/1128748377.db2.gz NCGGYFBOTQVFPY-MRXNPFEDSA-N 0 1 294.398 3.557 20 0 CHADMN Cc1ncccc1CN[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000624164418 1117991689 /nfs/dbraw/zinc/99/16/89/1117991689.db2.gz KQDSYUGZWKRISC-CQSZACIVSA-N 0 1 290.769 3.960 20 0 CHADMN C[C@@H](Cc1ccco1)NCc1c(F)ccc(F)c1Cl ZINC000705538379 1117991723 /nfs/dbraw/zinc/99/17/23/1117991723.db2.gz JTVKXDQCXHEWEL-VIFPVBQESA-N 0 1 285.721 3.932 20 0 CHADMN Cc1ncccc1CN[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000624164417 1117992315 /nfs/dbraw/zinc/99/23/15/1117992315.db2.gz KQDSYUGZWKRISC-AWEZNQCLSA-N 0 1 290.769 3.960 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000579447908 1128748510 /nfs/dbraw/zinc/74/85/10/1128748510.db2.gz NCGGYFBOTQVFPY-INIZCTEOSA-N 0 1 294.398 3.557 20 0 CHADMN [O-]c1cccnc1C[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000579447908 1128748512 /nfs/dbraw/zinc/74/85/12/1128748512.db2.gz NCGGYFBOTQVFPY-INIZCTEOSA-N 0 1 294.398 3.557 20 0 CHADMN Fc1ccc(F)c(CNCCc2ccoc2)c1Cl ZINC000705556100 1117998391 /nfs/dbraw/zinc/99/83/91/1117998391.db2.gz RHYIHCILYXLVDZ-UHFFFAOYSA-N 0 1 271.694 3.544 20 0 CHADMN CCOC(=O)C1(C)CCN(Cc2ccccc2Cl)CC1 ZINC000092824271 1117998825 /nfs/dbraw/zinc/99/88/25/1117998825.db2.gz UPCZLFHXMIOOBO-UHFFFAOYSA-N 0 1 295.810 3.505 20 0 CHADMN Cc1nccnc1CN[C@H](c1ccccc1)C(C)(C)C ZINC000621328204 1118001831 /nfs/dbraw/zinc/00/18/31/1118001831.db2.gz KNESNCNTYSSNEI-MRXNPFEDSA-N 0 1 269.392 3.662 20 0 CHADMN Cc1ccc(CNCc2cccc(Br)c2C)o1 ZINC000579494665 1128750010 /nfs/dbraw/zinc/75/00/10/1128750010.db2.gz WFROLYFVNHHMDX-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN CN(Cc1ncc(Cl)cc1Cl)C1CCCC1 ZINC000181977892 1118010388 /nfs/dbraw/zinc/01/03/88/1118010388.db2.gz AAVWNIPBCKCICD-UHFFFAOYSA-N 0 1 259.180 3.763 20 0 CHADMN CC[C@H]1CN(CCCOc2cccc3ccccc32)CCO1 ZINC000615455184 1128749487 /nfs/dbraw/zinc/74/94/87/1128749487.db2.gz IFIODCDPCNWWQQ-KRWDZBQOSA-N 0 1 299.414 3.720 20 0 CHADMN CNc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000128751945 1118020021 /nfs/dbraw/zinc/02/00/21/1118020021.db2.gz LKAHSGOXBFRIED-UHFFFAOYSA-N 0 1 257.724 3.925 20 0 CHADMN CN(CCOC1CCCCCC1)Cc1ccc(Cl)nc1 ZINC000080909414 1118021196 /nfs/dbraw/zinc/02/11/96/1118021196.db2.gz ZKVMSGYQBVUISF-UHFFFAOYSA-N 0 1 296.842 3.906 20 0 CHADMN CC[C@H](NCc1cccnc1Cl)c1ccccc1 ZINC000083442512 1118023433 /nfs/dbraw/zinc/02/34/33/1118023433.db2.gz XLJSMBIAJWBSEA-AWEZNQCLSA-N 0 1 260.768 3.976 20 0 CHADMN CCCN1CCC[C@@H]1c1nc(-c2ccccc2C)no1 ZINC000443094192 1118025160 /nfs/dbraw/zinc/02/51/60/1118025160.db2.gz ORSXGKZEEKVHBE-CQSZACIVSA-N 0 1 271.364 3.592 20 0 CHADMN CC(C)Cn1cc(CN2CCC[C@H]2c2cccs2)cn1 ZINC000182980506 1118034313 /nfs/dbraw/zinc/03/43/13/1118034313.db2.gz YLYJLZNOMUNUJA-HNNXBMFYSA-N 0 1 289.448 3.938 20 0 CHADMN CC(C)c1cnc(CN(C)[C@H](C)C2(C)CC2)s1 ZINC000183122935 1118037999 /nfs/dbraw/zinc/03/79/99/1118037999.db2.gz BKULXMZSDYSMAX-LLVKDONJSA-N 0 1 252.427 3.887 20 0 CHADMN C[C@H](c1cccnc1)N1CCC(Oc2ccccc2)CC1 ZINC000064795120 1118039763 /nfs/dbraw/zinc/03/97/63/1118039763.db2.gz OYWCQTTZCJUNFA-OAHLLOKOSA-N 0 1 282.387 3.686 20 0 CHADMN CC[C@H](N[C@H]1COc2ccc(C)cc21)c1ccncc1 ZINC000579557154 1128751718 /nfs/dbraw/zinc/75/17/18/1128751718.db2.gz ZLZJHOCINHGAIG-HOTGVXAUSA-N 0 1 268.360 3.564 20 0 CHADMN C[C@H](N[C@H]1CCC(C)(C)c2ccccc21)c1nccn1C ZINC000183195142 1118040905 /nfs/dbraw/zinc/04/09/05/1118040905.db2.gz RIXLGDXJSVMSMZ-BBRMVZONSA-N 0 1 283.419 3.883 20 0 CHADMN Fc1ccc(CNCc2cccc(Cl)c2)cc1F ZINC000042209233 1118044965 /nfs/dbraw/zinc/04/49/65/1118044965.db2.gz OIPXNQGNZORIIP-UHFFFAOYSA-N 0 1 267.706 3.908 20 0 CHADMN CN(Cc1ccsc1)Cc1ccc2ncccc2c1 ZINC000120468439 1118051090 /nfs/dbraw/zinc/05/10/90/1118051090.db2.gz AVPUWRVUPMOXPP-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN Cc1csc([C@H](C)NCCOc2cc(C)ccc2C)n1 ZINC000184175983 1118052488 /nfs/dbraw/zinc/05/24/88/1118052488.db2.gz USXCSCPWKXRVGY-AWEZNQCLSA-N 0 1 290.432 3.798 20 0 CHADMN Cc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1Cl ZINC000184166255 1118053004 /nfs/dbraw/zinc/05/30/04/1118053004.db2.gz BCXAKLAKDJCWEK-UHFFFAOYSA-N 0 1 275.739 3.501 20 0 CHADMN CC[C@@H](NCCOc1ccc(F)cc1)c1nc(C)cs1 ZINC000184340294 1118053685 /nfs/dbraw/zinc/05/36/85/1118053685.db2.gz DCFPWNMZRLBECO-CQSZACIVSA-N 0 1 294.395 3.710 20 0 CHADMN CCN(Cc1c(F)cccc1Cl)C[C@@H]1C[C@@H]1C ZINC001209433036 1118054177 /nfs/dbraw/zinc/05/41/77/1118054177.db2.gz SOMLSUAJABHESC-QWRGUYRKSA-N 0 1 255.764 3.957 20 0 CHADMN CC[C@H](NCCOc1cccc(C)c1)c1nc(C)cs1 ZINC000184401884 1118054382 /nfs/dbraw/zinc/05/43/82/1118054382.db2.gz RUORYNAIUUYMCW-HNNXBMFYSA-N 0 1 290.432 3.880 20 0 CHADMN COC[C@H](NCCc1c(F)cccc1Cl)c1ccco1 ZINC000184517075 1118055714 /nfs/dbraw/zinc/05/57/14/1118055714.db2.gz KERIMMTVBPYMBB-AWEZNQCLSA-N 0 1 297.757 3.592 20 0 CHADMN Cc1ccc(C[N@H+]2[C@H](C)CC[C@H](C(=O)[O-])[C@@H]2C)c(Cl)c1 ZINC000579616330 1128752946 /nfs/dbraw/zinc/75/29/46/1128752946.db2.gz POPUBZNMLVZBLS-DYEKYZERSA-N 0 1 295.810 3.722 20 0 CHADMN CCCC[C@@H](N[C@@H](C)c1nc(CC)no1)C1CCC1 ZINC000184874910 1118058042 /nfs/dbraw/zinc/05/80/42/1118058042.db2.gz ZEPCGZXCJJUDAT-WCQYABFASA-N 0 1 265.401 3.642 20 0 CHADMN CCCC[C@@H](NCc1nc(C(C)(C)C)no1)C1CCC1 ZINC000184884356 1118058733 /nfs/dbraw/zinc/05/87/33/1118058733.db2.gz ROGZWIGEEJAQCU-CYBMUJFWSA-N 0 1 279.428 3.816 20 0 CHADMN C[C@@H](NCc1c(F)cccc1F)[C@@H]1COc2ccccc21 ZINC000185648729 1118063426 /nfs/dbraw/zinc/06/34/26/1118063426.db2.gz CWUVXKPKHIXJGL-RISCZKNCSA-N 0 1 289.325 3.619 20 0 CHADMN CO[C@@H]1CCCN(Cc2ccc(C(F)(F)F)s2)CC1 ZINC000683355585 1118067834 /nfs/dbraw/zinc/06/78/34/1118067834.db2.gz ZZTFHEKCYWYKHH-SNVBAGLBSA-N 0 1 293.354 3.768 20 0 CHADMN Cc1ccc(F)c(CN[C@@H](c2cccnc2)C2CC2)c1 ZINC000340108624 1118067854 /nfs/dbraw/zinc/06/78/54/1118067854.db2.gz JMORCQZXNSTLGA-QGZVFWFLSA-N 0 1 270.351 3.770 20 0 CHADMN CC(C)[C@@H](C)N(C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000654452553 1118071222 /nfs/dbraw/zinc/07/12/22/1118071222.db2.gz RCSPKMNZNOLCJP-SECBINFHSA-N 0 1 289.297 3.528 20 0 CHADMN CC(C)CCN(CCC(C)C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000654454624 1118071807 /nfs/dbraw/zinc/07/18/07/1118071807.db2.gz ADZFHHKAPJMSRK-OAHLLOKOSA-N 0 1 293.455 3.509 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCC[C@@H]1c1cccc(C)n1 ZINC000375607854 1118074047 /nfs/dbraw/zinc/07/40/47/1118074047.db2.gz OOAGVVSUOJJOPT-GOSISDBHSA-N 0 1 298.434 3.813 20 0 CHADMN CCOc1ccc(C)c(CN2CCC[C@](C)(F)C2)c1 ZINC001238704677 1118075094 /nfs/dbraw/zinc/07/50/94/1118075094.db2.gz KXZUXBLAPHSXHZ-INIZCTEOSA-N 0 1 265.372 3.718 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2noc(-c3ccsc3)n2)[C@H](C)C1 ZINC000119233054 1118086960 /nfs/dbraw/zinc/08/69/60/1118086960.db2.gz PDZINWVUDPHBGK-NQBHXWOUSA-N 0 1 291.420 3.712 20 0 CHADMN CCN(Cc1cnc(Br)cc1Cl)C(C)C ZINC001140074819 1118090088 /nfs/dbraw/zinc/09/00/88/1118090088.db2.gz UKADSAGVCSFXPB-UHFFFAOYSA-N 0 1 291.620 3.728 20 0 CHADMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1Cl)C1CCCCC1 ZINC000652366799 1118094558 /nfs/dbraw/zinc/09/45/58/1118094558.db2.gz QZFFVBBSOJLGCC-UHFFFAOYSA-N 0 1 281.783 3.803 20 0 CHADMN Cc1cccc(-c2noc(CN(C)C3CCCCC3)n2)c1 ZINC000042121791 1118102384 /nfs/dbraw/zinc/10/23/84/1118102384.db2.gz VFBTXEIKFXAYMZ-UHFFFAOYSA-N 0 1 285.391 3.810 20 0 CHADMN Clc1ccc(CNCc2cccc3cc[nH]c32)o1 ZINC000340206428 1118111344 /nfs/dbraw/zinc/11/13/44/1118111344.db2.gz MZYCTLQFCOKDKT-UHFFFAOYSA-N 0 1 260.724 3.704 20 0 CHADMN CO[C@@H](C)c1cccc(-n2c(N)nc3c2cccc3C)c1 ZINC001209945610 1118115426 /nfs/dbraw/zinc/11/54/26/1118115426.db2.gz FMARXIDAPRXUJA-LBPRGKRZSA-N 0 1 281.359 3.624 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](C)CCOC1CCCCC1 ZINC001167244610 1118117507 /nfs/dbraw/zinc/11/75/07/1118117507.db2.gz WBZWHXKKEZNUBC-ZDUSSCGKSA-N 0 1 251.370 3.622 20 0 CHADMN C[C@@H](c1ccco1)N(C)CCOC1CCCCC1 ZINC001167244610 1118117510 /nfs/dbraw/zinc/11/75/10/1118117510.db2.gz WBZWHXKKEZNUBC-ZDUSSCGKSA-N 0 1 251.370 3.622 20 0 CHADMN CC[C@H](COC)NCc1csc(-c2ccc(C)cc2)n1 ZINC000120220138 1118119102 /nfs/dbraw/zinc/11/91/02/1118119102.db2.gz ZMWISOZRVNERFA-CQSZACIVSA-N 0 1 290.432 3.633 20 0 CHADMN Cc1nsc(C)c1CN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000653610377 1118120099 /nfs/dbraw/zinc/12/00/99/1118120099.db2.gz FLFOJLGBPHYPDQ-KCJUWKMLSA-N 0 1 292.370 3.923 20 0 CHADMN CCOC(=O)CN(CC[C@H]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC001167267850 1118135128 /nfs/dbraw/zinc/13/51/28/1118135128.db2.gz LQONJLBFVNQLMU-ZSHCYNCHSA-N 0 1 283.456 3.722 20 0 CHADMN COc1ccc(CNCc2cc(F)ccc2F)c(C)c1 ZINC000765273362 1118141475 /nfs/dbraw/zinc/14/14/75/1118141475.db2.gz UKTTXBGLTNXTNK-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN C[C@@H](N[C@@H](C)CCc1ccco1)c1nc(C(C)(C)C)no1 ZINC000237361327 1118142176 /nfs/dbraw/zinc/14/21/76/1118142176.db2.gz ZJNCQZNTXFXMLO-NWDGAFQWSA-N 0 1 291.395 3.632 20 0 CHADMN Cc1occc1CN[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000765397898 1118148487 /nfs/dbraw/zinc/14/84/87/1118148487.db2.gz WCHRGADSIFMACH-CYBMUJFWSA-N 0 1 298.386 3.566 20 0 CHADMN Cc1cc(C)nc(Nc2cc3c[nH]nc3cc2C)c1 ZINC001210100195 1118152310 /nfs/dbraw/zinc/15/23/10/1118152310.db2.gz IUEUKRFYWKVSKC-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000124576799 1118154641 /nfs/dbraw/zinc/15/46/41/1118154641.db2.gz IEUJEVGLAKYUDD-AWEZNQCLSA-N 0 1 289.419 3.959 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)NCc1cccn1C ZINC000050595664 1118156929 /nfs/dbraw/zinc/15/69/29/1118156929.db2.gz PUXKHZIHPOJUDS-AWEZNQCLSA-N 0 1 272.392 3.663 20 0 CHADMN CC(C)Oc1ccc(CNCc2ccnn2C2CCC2)cc1 ZINC000921525431 1118157677 /nfs/dbraw/zinc/15/76/77/1118157677.db2.gz LXWMJXDZGMTBSO-UHFFFAOYSA-N 0 1 299.418 3.685 20 0 CHADMN CCC(CC)[C@H](NCc1cncc(OC)n1)c1ccccc1 ZINC000625286445 1118174307 /nfs/dbraw/zinc/17/43/07/1118174307.db2.gz LSWBIBJRDWFZFS-SFHVURJKSA-N 0 1 299.418 3.752 20 0 CHADMN Cc1ccc(CN2CC(C)(C)[C@H]2c2ccccc2)cn1 ZINC000765578670 1118175327 /nfs/dbraw/zinc/17/53/27/1118175327.db2.gz JAWBHRFFNNROMY-QGZVFWFLSA-N 0 1 266.388 3.973 20 0 CHADMN Cc1ccc(CN2CC(C)(C)[C@@H]2c2ccccc2)cn1 ZINC000765578667 1118175605 /nfs/dbraw/zinc/17/56/05/1118175605.db2.gz JAWBHRFFNNROMY-KRWDZBQOSA-N 0 1 266.388 3.973 20 0 CHADMN CCCC1CCC(NC(=O)c2cccc(F)c2O)CC1 ZINC001125373963 1118182269 /nfs/dbraw/zinc/18/22/69/1118182269.db2.gz BCASAEHVDASMMZ-UHFFFAOYSA-N 0 1 279.355 3.620 20 0 CHADMN C[C@@H](NCC1(C(F)(F)F)CCCC1)c1nccs1 ZINC000624272283 1118182642 /nfs/dbraw/zinc/18/26/42/1118182642.db2.gz AXPIXIYOMJEDAN-SECBINFHSA-N 0 1 278.343 3.916 20 0 CHADMN Cc1ccc([C@@H](N[C@@H]2CCCn3ccnc32)C2CC2)cc1 ZINC000655687345 1118182838 /nfs/dbraw/zinc/18/28/38/1118182838.db2.gz XZYFXZQVCSGWCD-IAGOWNOFSA-N 0 1 281.403 3.767 20 0 CHADMN CC[C@@H](NCC1(C(F)(F)F)CCCC1)c1nccn1C ZINC000624273044 1118184849 /nfs/dbraw/zinc/18/48/49/1118184849.db2.gz VRUOEJABFXPXFY-LLVKDONJSA-N 0 1 289.345 3.584 20 0 CHADMN Cc1ccccc1[C@H](N[C@H]1CCCn2ccnc21)C1CC1 ZINC000655711407 1118190184 /nfs/dbraw/zinc/19/01/84/1118190184.db2.gz JRRSXHUOLCHNGZ-DLBZAZTESA-N 0 1 281.403 3.767 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@H]2CCCn3ccnc32)c1 ZINC000655712464 1118190436 /nfs/dbraw/zinc/19/04/36/1118190436.db2.gz OBRDITMQRNMCAU-HOCLYGCPSA-N 0 1 269.392 3.686 20 0 CHADMN C[C@@H]1CCN(Cc2c(Cl)cccc2Br)C1 ZINC001137810053 1118193889 /nfs/dbraw/zinc/19/38/89/1118193889.db2.gz VGOCXHFBSAPORI-SECBINFHSA-N 0 1 288.616 3.944 20 0 CHADMN c1cc(CN[C@H]2CSCc3ccccc32)n(C2CCC2)n1 ZINC000921612029 1118205193 /nfs/dbraw/zinc/20/51/93/1118205193.db2.gz JHWRQXZHDRTXPE-KRWDZBQOSA-N 0 1 299.443 3.686 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1cccc2c1OCC2 ZINC000921612679 1118206328 /nfs/dbraw/zinc/20/63/28/1118206328.db2.gz CQHSSPUKHRWUQF-KRWDZBQOSA-N 0 1 283.346 3.538 20 0 CHADMN Cc1ccc(-c2noc(-c3cc(-c4ccccc4)n[nH]3)n2)o1 ZINC000683590549 1118206422 /nfs/dbraw/zinc/20/64/22/1118206422.db2.gz QECWFASZBLLPSF-UHFFFAOYSA-N 0 1 292.298 3.695 20 0 CHADMN CCC[C@@H](CC(C)C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615796680 1128762735 /nfs/dbraw/zinc/76/27/35/1128762735.db2.gz RDVQIZAPISNTHX-AWEZNQCLSA-N 0 1 287.407 3.642 20 0 CHADMN CO[C@]1(C)C[C@@H](N[C@H](C)c2nc(C)sc2C)C1(C)C ZINC000676493395 1118209481 /nfs/dbraw/zinc/20/94/81/1118209481.db2.gz XONYKLOVLMFJGS-DDHOLCJHSA-N 0 1 282.453 3.614 20 0 CHADMN CCc1ccccc1Cc1noc(CN2[C@H](C)CC[C@H]2C)n1 ZINC000683597465 1118211881 /nfs/dbraw/zinc/21/18/81/1118211881.db2.gz JYHLYCLNYVRADN-ZIAGYGMSSA-N 0 1 299.418 3.596 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCc3ccccc3NC2=O)oc1C ZINC000655792089 1118213689 /nfs/dbraw/zinc/21/36/89/1118213689.db2.gz VXHGFYNCNHMJAB-BLLLJJGKSA-N 0 1 298.386 3.501 20 0 CHADMN CC[C@H](N[C@H](C)c1cncnc1C)c1ccccc1F ZINC000655789949 1118213887 /nfs/dbraw/zinc/21/38/87/1118213887.db2.gz BWDDLMXDXQSVDF-WBMJQRKESA-N 0 1 273.355 3.726 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@H]1COc3ccc(F)cc31)CC2 ZINC000468037223 1118214528 /nfs/dbraw/zinc/21/45/28/1118214528.db2.gz HXPWPHYWFNAWRT-SJORKVTESA-N 0 1 299.345 3.545 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@@H]1COc3ccc(F)cc31)CC2 ZINC000468037219 1118214720 /nfs/dbraw/zinc/21/47/20/1118214720.db2.gz HXPWPHYWFNAWRT-IAGOWNOFSA-N 0 1 299.345 3.545 20 0 CHADMN COc1c(C)cccc1CN[C@H](C)c1cnccc1C ZINC000655812499 1118220053 /nfs/dbraw/zinc/22/00/53/1118220053.db2.gz PYFQPSQEJFOTEK-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1cn2ccc(C)cc2n1 ZINC000765757283 1118225687 /nfs/dbraw/zinc/22/56/87/1118225687.db2.gz GIEPJQXZTJJGHV-SFHVURJKSA-N 0 1 291.398 3.728 20 0 CHADMN COc1c(C)cccc1CNCc1scnc1C1CC1 ZINC000655833100 1118227826 /nfs/dbraw/zinc/22/78/26/1118227826.db2.gz JBJZUGIISZYMNK-UHFFFAOYSA-N 0 1 288.416 3.627 20 0 CHADMN Fc1ccc(CN2CCC(C3CCCC3)CC2)cn1 ZINC000779162132 1128763993 /nfs/dbraw/zinc/76/39/93/1128763993.db2.gz UKBCDEDCABYDRM-UHFFFAOYSA-N 0 1 262.372 3.623 20 0 CHADMN COC[C@@H](NCc1c(Cl)cccc1Cl)C1CC1 ZINC000121598312 1118231661 /nfs/dbraw/zinc/23/16/61/1118231661.db2.gz UHSRSSZFPDSGBJ-CYBMUJFWSA-N 0 1 274.191 3.508 20 0 CHADMN Cc1nc([C@@H](C)N[C@H]2C[C@H](OC(C)(C)C)C2)c(C)s1 ZINC000655838598 1118232321 /nfs/dbraw/zinc/23/23/21/1118232321.db2.gz DTEKNIHBJIDWCL-OASPWFOLSA-N 0 1 282.453 3.757 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000213488393 1118236438 /nfs/dbraw/zinc/23/64/38/1118236438.db2.gz MOKUHQKUMFYMKN-AWEZNQCLSA-N 0 1 261.365 3.539 20 0 CHADMN CC[C@H]1CCCCN1Cc1nnc(-c2cccc(F)c2)o1 ZINC000075616175 1128764431 /nfs/dbraw/zinc/76/44/31/1128764431.db2.gz WOMANGVTNDHXAK-AWEZNQCLSA-N 0 1 289.354 3.640 20 0 CHADMN CCCN(CC(=O)Nc1ccc(C)cc1)Cc1ccccc1 ZINC000104765309 1118237749 /nfs/dbraw/zinc/23/77/49/1118237749.db2.gz IMRPGCWNEMZURB-UHFFFAOYSA-N 0 1 296.414 3.846 20 0 CHADMN CC[C@H](NCc1ncc(C(C)C)s1)[C@@H]1CCCCO1 ZINC000655856928 1118246716 /nfs/dbraw/zinc/24/67/16/1118246716.db2.gz QXHRHDSDMRAKIP-STQMWFEESA-N 0 1 282.453 3.704 20 0 CHADMN CC(C)CC(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615813924 1128765143 /nfs/dbraw/zinc/76/51/43/1128765143.db2.gz PIUSKFKMTQFAMS-JTQLQIEISA-N 0 1 293.798 3.782 20 0 CHADMN Clc1cnccc1CN[C@@H]1CCCc2ccccc21 ZINC000088781184 1118249606 /nfs/dbraw/zinc/24/96/06/1118249606.db2.gz CXCFAIHTJGZQPR-MRXNPFEDSA-N 0 1 272.779 3.902 20 0 CHADMN CC[C@H](C)CN1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000409445374 1118251456 /nfs/dbraw/zinc/25/14/56/1118251456.db2.gz UPDLZYNVVOMDRX-SWLSCSKDSA-N 0 1 267.800 3.759 20 0 CHADMN Clc1ncccc1CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000075831042 1128766214 /nfs/dbraw/zinc/76/62/14/1128766214.db2.gz AJTSGWYJJAQIKY-HNNXBMFYSA-N 0 1 294.826 3.659 20 0 CHADMN COc1cc([C@H](C)NCc2cccc(Cl)c2)ccn1 ZINC000340461822 1118266134 /nfs/dbraw/zinc/26/61/34/1118266134.db2.gz IZAIPTOQGSOMMP-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN C=Cc1ccc(CNc2cncc3nc(C)[nH]c32)cc1 ZINC001168578523 1118266437 /nfs/dbraw/zinc/26/64/37/1118266437.db2.gz RJNCIIUVWJGYRD-UHFFFAOYSA-N 0 1 264.332 3.521 20 0 CHADMN COc1cc([C@H](C)N[C@H](C)c2sc(C)nc2C)ccn1 ZINC000348638090 1118274010 /nfs/dbraw/zinc/27/40/10/1118274010.db2.gz DGCYEIAXIKRUIL-VHSXEESVSA-N 0 1 291.420 3.575 20 0 CHADMN CC[C@H](NCc1nc(C(C)C)n2ccccc12)C(F)F ZINC000568033708 1118275349 /nfs/dbraw/zinc/27/53/49/1118275349.db2.gz XAYXOUSECHHQDM-NSHDSACASA-N 0 1 281.350 3.591 20 0 CHADMN Cc1cc(C(=O)CN(C)[C@H](C)Cc2ccccc2C)c(C)[nH]1 ZINC000683678135 1118276458 /nfs/dbraw/zinc/27/64/58/1118276458.db2.gz CQZRQMUPQWRFNH-OAHLLOKOSA-N 0 1 298.430 3.686 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1ncccc1C ZINC000282185965 1118279357 /nfs/dbraw/zinc/27/93/57/1118279357.db2.gz WFRFJCYYBNORIU-CYBMUJFWSA-N 0 1 272.417 3.963 20 0 CHADMN CC(C)OCCNCc1cc(Cl)sc1Cl ZINC000312593007 1118283445 /nfs/dbraw/zinc/28/34/45/1118283445.db2.gz AUFYUFYLHXYNGX-UHFFFAOYSA-N 0 1 268.209 3.570 20 0 CHADMN CCOc1ccccc1CNCc1cc2ccccc2[nH]1 ZINC000058474436 1118288773 /nfs/dbraw/zinc/28/87/73/1118288773.db2.gz CYMYIWHWAUNVHR-UHFFFAOYSA-N 0 1 280.371 3.856 20 0 CHADMN Cc1nc([C@@H](C)[NH2+]CCN2CCCC(C)(C)C2)c(C)s1 ZINC000683693483 1118289581 /nfs/dbraw/zinc/28/95/81/1118289581.db2.gz AFEAKOPPIFUKKJ-GFCCVEGCSA-N 0 1 295.496 3.533 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2cccc3cccnc32)no1 ZINC000027888811 1118295822 /nfs/dbraw/zinc/29/58/22/1118295822.db2.gz BJZLQADSRQCOIZ-KRWDZBQOSA-N 0 1 293.370 3.868 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1C[C@@H](C)C[C@H](C)C1 ZINC000060375382 1118298551 /nfs/dbraw/zinc/29/85/51/1118298551.db2.gz SPTDDERBANCRCP-STQMWFEESA-N 0 1 289.398 3.673 20 0 CHADMN C[C@@H](NCc1ccc(C2CC2)cc1)c1ccncc1F ZINC000340501452 1118308313 /nfs/dbraw/zinc/30/83/13/1118308313.db2.gz UWIVFHKBIZNCGM-GFCCVEGCSA-N 0 1 270.351 3.949 20 0 CHADMN C[C@H](NCc1ccc(C2CC2)cc1)c1ccncc1F ZINC000340501455 1118308841 /nfs/dbraw/zinc/30/88/41/1118308841.db2.gz UWIVFHKBIZNCGM-LBPRGKRZSA-N 0 1 270.351 3.949 20 0 CHADMN C[C@@H](Nc1ncnc2[nH]cnc21)c1cccc2ccccc21 ZINC000047509316 1118315307 /nfs/dbraw/zinc/31/53/07/1118315307.db2.gz NPQXVBRGVGUJHC-LLVKDONJSA-N 0 1 289.342 3.679 20 0 CHADMN COc1cc([C@H](C)N[C@H](C)c2ccc(F)c(F)c2)ccn1 ZINC000340523101 1118316114 /nfs/dbraw/zinc/31/61/14/1118316114.db2.gz DLBXDOUOQHROSY-MNOVXSKESA-N 0 1 292.329 3.780 20 0 CHADMN F[C@@H]1CCC[C@@H]1N[C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000340525034 1118317585 /nfs/dbraw/zinc/31/75/85/1118317585.db2.gz DLQHLPSEDLQKMK-IKGGRYGDSA-N 0 1 289.394 3.869 20 0 CHADMN C[C@@H]1CCCCN1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000063517216 1118317745 /nfs/dbraw/zinc/31/77/45/1118317745.db2.gz MTFJGRWPUWCZKN-OAHLLOKOSA-N 0 1 295.430 3.735 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000060479207 1118324103 /nfs/dbraw/zinc/32/41/03/1118324103.db2.gz LCWBMWYYVFHORV-DGCLKSJQSA-N 0 1 291.345 3.629 20 0 CHADMN Fc1cccnc1CN1CCC[C@H](Cc2ccccc2)C1 ZINC001207032153 1118326001 /nfs/dbraw/zinc/32/60/01/1118326001.db2.gz GFPGTRJVLRYBDR-MRXNPFEDSA-N 0 1 284.378 3.675 20 0 CHADMN CCOc1cccc2cc([C@H](C)N[C@H]3C[C@H]3OCC)oc21 ZINC000580033235 1118327312 /nfs/dbraw/zinc/32/73/12/1118327312.db2.gz FMTUBASZAHKONL-DETPVDSQSA-N 0 1 289.375 3.660 20 0 CHADMN Fc1cccc(-c2noc([C@H]3CCN3C3CCCC3)n2)c1 ZINC000923772151 1118329579 /nfs/dbraw/zinc/32/95/79/1118329579.db2.gz AROJHQIAFCQMED-CQSZACIVSA-N 0 1 287.338 3.565 20 0 CHADMN CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000042145573 1118330113 /nfs/dbraw/zinc/33/01/13/1118330113.db2.gz LDPIKUXWMOVHIQ-JKSUJKDBSA-N 0 1 288.435 3.752 20 0 CHADMN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(F)nc1 ZINC000189299660 1128770638 /nfs/dbraw/zinc/77/06/38/1128770638.db2.gz JUJWJOAWIKZPIY-UHFFFAOYSA-N 0 1 283.350 3.505 20 0 CHADMN CCC(O)(CC)CN(C)Cc1cccc(Cl)c1Cl ZINC000706399180 1118340363 /nfs/dbraw/zinc/34/03/63/1118340363.db2.gz WRPDXGVFLWIKCK-UHFFFAOYSA-N 0 1 290.234 3.976 20 0 CHADMN CC(C)O[C@H](CN[C@@H]1C[C@H](C)n2ccnc21)c1ccccc1 ZINC000639247311 1118349817 /nfs/dbraw/zinc/34/98/17/1118349817.db2.gz IIIBSHKFWIXIIR-USXIJHARSA-N 0 1 299.418 3.645 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cc(Cl)cs1)CO2 ZINC000683770865 1118352937 /nfs/dbraw/zinc/35/29/37/1118352937.db2.gz BQRNIBMVHPJCHP-CYBMUJFWSA-N 0 1 279.792 3.933 20 0 CHADMN COc1ccccc1C(C)(C)NCc1cc(C)nc(C)c1 ZINC001649101228 1118353905 /nfs/dbraw/zinc/35/39/05/1118353905.db2.gz FZHGTRRSMRSEAM-UHFFFAOYSA-N 0 1 284.403 3.732 20 0 CHADMN COc1ccc(F)cc1CNCc1ccc2cnccc2c1 ZINC000683775364 1118355064 /nfs/dbraw/zinc/35/50/64/1118355064.db2.gz AGZHKJDWPKGRQC-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN O=c1cc(C2CC2)[nH]n1-c1ccc(Cl)cc1Cl ZINC000116603092 1118357219 /nfs/dbraw/zinc/35/72/19/1118357219.db2.gz ZWJNWLAVGZEVQL-UHFFFAOYSA-N 0 1 269.131 3.762 20 0 CHADMN c1cn2cc(Nc3cnc4sccc4c3)ccc2n1 ZINC001210691828 1118364536 /nfs/dbraw/zinc/36/45/36/1118364536.db2.gz QUXPZJUBWSDWAV-UHFFFAOYSA-N 0 1 266.329 3.688 20 0 CHADMN COc1cc(CN[C@@H](C)c2cccnc2)ccc1SC ZINC000069159327 1118367489 /nfs/dbraw/zinc/36/74/89/1118367489.db2.gz WPKXOHRMAITLAT-LBPRGKRZSA-N 0 1 288.416 3.663 20 0 CHADMN CCOc1ncccc1CNCc1cccc2ccccc21 ZINC000128876835 1118369303 /nfs/dbraw/zinc/36/93/03/1118369303.db2.gz NLBHVRULSHEFIE-UHFFFAOYSA-N 0 1 292.382 3.923 20 0 CHADMN Cc1cc(C(=O)Nc2nc3ccc(F)cc3[nH]2)c(C)s1 ZINC000683789716 1118370638 /nfs/dbraw/zinc/37/06/38/1118370638.db2.gz IOWFMNKXXFIXJL-UHFFFAOYSA-N 0 1 289.335 3.633 20 0 CHADMN CCN(Cc1csc(-c2ccc(C)o2)n1)CC1CC1 ZINC000070012840 1118371979 /nfs/dbraw/zinc/37/19/79/1118371979.db2.gz ZZJGUAIMXQVNCD-UHFFFAOYSA-N 0 1 276.405 3.943 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2C[C@@H](C)[C@H](C)C2)c(Cl)c1 ZINC000072873375 1118376829 /nfs/dbraw/zinc/37/68/29/1118376829.db2.gz WNNUGAGXBKYPAF-UPJWGTAASA-N 0 1 294.826 3.563 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)N(Cc3nnc(C4CC4)o3)C2)cc1 ZINC000683799531 1118376901 /nfs/dbraw/zinc/37/69/01/1118376901.db2.gz CGEULUQNUQREND-XJKSGUPXSA-N 0 1 297.402 3.633 20 0 CHADMN COc1ccc([C@H]2CCCCCN2Cc2ccno2)cc1 ZINC000072879212 1118377278 /nfs/dbraw/zinc/37/72/78/1118377278.db2.gz MRYMLMNJTYNJCT-QGZVFWFLSA-N 0 1 286.375 3.801 20 0 CHADMN COc1ccccc1CN(C)Cc1ccc2cnccc2c1 ZINC000683823061 1118388794 /nfs/dbraw/zinc/38/87/94/1118388794.db2.gz RSTUZZLXULKORQ-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000111242582 1118389227 /nfs/dbraw/zinc/38/92/27/1118389227.db2.gz QYBXNUOSYRXQIG-WCQYABFASA-N 0 1 295.345 3.542 20 0 CHADMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)C12CC(C1)C2 ZINC000624431202 1118402349 /nfs/dbraw/zinc/40/23/49/1118402349.db2.gz QHKIUOJNRCDHGP-UHFFFAOYSA-N 0 1 293.326 3.562 20 0 CHADMN Nc1nc2ccccc2n1-c1cc(F)c(Cl)c(F)c1 ZINC001210841999 1118406675 /nfs/dbraw/zinc/40/66/75/1118406675.db2.gz YUJXWHJWAPRPII-UHFFFAOYSA-N 0 1 279.677 3.539 20 0 CHADMN C[C@H](N[C@H]1CCS[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000683849058 1118410227 /nfs/dbraw/zinc/41/02/27/1118410227.db2.gz YWJRNXJVPPNSKL-RNJXMRFFSA-N 0 1 296.383 3.707 20 0 CHADMN CC(C)c1cnc(CN2CC[C@@H](C)C[C@@H](C)C2)o1 ZINC001655625016 1118415528 /nfs/dbraw/zinc/41/55/28/1118415528.db2.gz NTCHONLDLUVPKV-CHWSQXEVSA-N 0 1 250.386 3.666 20 0 CHADMN C[C@H](CCC1CCCC1)NCc1nccc(C(F)F)n1 ZINC000348646666 1118420016 /nfs/dbraw/zinc/42/00/16/1118420016.db2.gz SWKIFRJOMVLBBR-LLVKDONJSA-N 0 1 283.366 3.863 20 0 CHADMN Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)c(O)c1 ZINC001210926163 1118423829 /nfs/dbraw/zinc/42/38/29/1118423829.db2.gz BFFKPIFSWZQNFZ-UHFFFAOYSA-N 0 1 286.114 3.854 20 0 CHADMN C[C@H](CNCc1ncccn1)Cc1ccc(C(C)(C)C)cc1 ZINC000580347233 1118431403 /nfs/dbraw/zinc/43/14/03/1118431403.db2.gz PNIYVYLQQZDENW-HNNXBMFYSA-N 0 1 297.446 3.743 20 0 CHADMN CC[N@@H+](Cc1oc(C)nc1C)[C@@H](C)c1cccc(O)c1 ZINC000683899177 1118432766 /nfs/dbraw/zinc/43/27/66/1118432766.db2.gz VYSMFXLMHIAJPT-LBPRGKRZSA-N 0 1 274.364 3.580 20 0 CHADMN CCN(Cc1oc(C)nc1C)[C@@H](C)c1cccc(O)c1 ZINC000683899177 1118432767 /nfs/dbraw/zinc/43/27/67/1118432767.db2.gz VYSMFXLMHIAJPT-LBPRGKRZSA-N 0 1 274.364 3.580 20 0 CHADMN COc1ccccc1-n1nccc1N=C(C)c1ccccc1 ZINC001210983646 1118434234 /nfs/dbraw/zinc/43/42/34/1118434234.db2.gz QKUNTUGIFWXCCN-UHFFFAOYSA-N 0 1 291.354 3.964 20 0 CHADMN Cc1ncc([C@H](C)N[C@H]2CCc3ccc(F)cc32)s1 ZINC000089552724 1118439826 /nfs/dbraw/zinc/43/98/26/1118439826.db2.gz QJPBSFAOAGDGER-XPTSAGLGSA-N 0 1 276.380 3.929 20 0 CHADMN CC[C@H](NCc1ccc[nH]c1=O)c1cccc(Cl)c1F ZINC000624259915 1118444769 /nfs/dbraw/zinc/44/47/69/1118444769.db2.gz ZQCFSKGUYRDQLT-ZDUSSCGKSA-N 0 1 294.757 3.821 20 0 CHADMN CCCCN(CC)Cc1nc(-c2ccccc2C)no1 ZINC000052889523 1118454954 /nfs/dbraw/zinc/45/49/54/1118454954.db2.gz SQMUWUYVEWQOPC-UHFFFAOYSA-N 0 1 273.380 3.667 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1 ZINC000263147838 1118474919 /nfs/dbraw/zinc/47/49/19/1118474919.db2.gz FCVPZNCPMMBFAV-JKIFEVAISA-N 0 1 289.419 3.914 20 0 CHADMN O=C(Nc1ccc(F)c(F)c1O)[C@H]1CCCC2(CC2)C1 ZINC000616195307 1128780641 /nfs/dbraw/zinc/78/06/41/1128780641.db2.gz VLYRDPUTCHBFQA-VIFPVBQESA-N 0 1 281.302 3.579 20 0 CHADMN Cc1ccc2nc(-c3c(C)cccc3O)[nH]c2c1C ZINC000706636667 1118482864 /nfs/dbraw/zinc/48/28/64/1118482864.db2.gz HQPQHEDRIYYTLA-UHFFFAOYSA-N 0 1 252.317 3.861 20 0 CHADMN CCN1CCCC[C@H]1C(=O)N1CCC(C)(C)CC(C)(C)C1 ZINC001648909719 1118483436 /nfs/dbraw/zinc/48/34/36/1118483436.db2.gz DZCCRJXUOOMFNO-HNNXBMFYSA-N 0 1 294.483 3.536 20 0 CHADMN COc1ccc(CN2CC3(CC3(F)F)C2)c2ccccc12 ZINC000656265931 1118486895 /nfs/dbraw/zinc/48/68/95/1118486895.db2.gz ONDYLTHZZKBOGH-UHFFFAOYSA-N 0 1 289.325 3.689 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CC2(CC2(F)F)C1 ZINC000656265171 1118487009 /nfs/dbraw/zinc/48/70/09/1118487009.db2.gz ATVROOHDIZEMAY-UHFFFAOYSA-N 0 1 291.263 3.855 20 0 CHADMN c1c2ccccc2[nH]c1CN1CCC[C@@H]2CCC[C@H]21 ZINC000684020051 1118488844 /nfs/dbraw/zinc/48/88/44/1118488844.db2.gz FYFHSBLTMTWOKC-SUMWQHHRSA-N 0 1 254.377 3.932 20 0 CHADMN [O-]c1cc(F)c(-c2cccc(C3CC[NH2+]CC3)c2)cc1F ZINC001211351777 1118506795 /nfs/dbraw/zinc/50/67/95/1118506795.db2.gz CDRNFJCWLBPCPE-UHFFFAOYSA-N 0 1 289.325 3.804 20 0 CHADMN CC(C)CCCN1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000060190439 1118512823 /nfs/dbraw/zinc/51/28/23/1118512823.db2.gz MIDCEUYKQJLYLT-QGZVFWFLSA-N 0 1 289.419 3.630 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@@H](c1ccccc1)[C@@H](C)O ZINC000658364084 1118518749 /nfs/dbraw/zinc/51/87/49/1118518749.db2.gz ZKBUIJHZSWSNHU-QMTMVMCOSA-N 0 1 299.414 3.858 20 0 CHADMN CC1(C)Cc2occc2[C@H](N[C@@H](CO)c2ccsc2)C1 ZINC000349356577 1118520409 /nfs/dbraw/zinc/52/04/09/1118520409.db2.gz QSOTZEHRWRAJRV-KGLIPLIRSA-N 0 1 291.416 3.678 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccccc1)c1ccc(Cl)s1 ZINC000062999828 1118530540 /nfs/dbraw/zinc/53/05/40/1118530540.db2.gz IDGLWIPLETZDCQ-PWSUYJOCSA-N 0 1 281.808 3.786 20 0 CHADMN COc1cc(F)c(F)cc1CN1CCC[C@H](C)CC1 ZINC001143387353 1118534880 /nfs/dbraw/zinc/53/48/80/1118534880.db2.gz FRAXGTFVLDUWMG-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CCCc1ccc(CCCc2nc(C3(N)CCC3)no2)cc1 ZINC000647141875 1118540171 /nfs/dbraw/zinc/54/01/71/1118540171.db2.gz WBCRZUWQGRVNOI-UHFFFAOYSA-N 0 1 299.418 3.535 20 0 CHADMN C[C@H](O)CCNCc1c(Cl)ccc(Cl)c1Cl ZINC000096593355 1118544588 /nfs/dbraw/zinc/54/45/88/1118544588.db2.gz QLTRGWXRZDFXIA-ZETCQYMHSA-N 0 1 282.598 3.507 20 0 CHADMN C[C@H](Cc1cccs1)N(C)Cc1ccc(F)cc1C#N ZINC000081573586 1118544924 /nfs/dbraw/zinc/54/49/24/1118544924.db2.gz XNIRPFWUTFYNHL-GFCCVEGCSA-N 0 1 288.391 3.822 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@@H](C)C3CC3)n[nH]2)cc1C ZINC000187977998 1118550512 /nfs/dbraw/zinc/55/05/12/1118550512.db2.gz CXDJECOJEIWFNK-ZDUSSCGKSA-N 0 1 297.402 3.564 20 0 CHADMN C[C@H]1CN(c2cc[nH+]c3c([O-])cccc23)C[C@H](C)C1(F)F ZINC000624445575 1118551433 /nfs/dbraw/zinc/55/14/33/1118551433.db2.gz MQLBOLTUJKFFTK-QWRGUYRKSA-N 0 1 292.329 3.668 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](CO)c2ccsc2)s1 ZINC000349376614 1118553170 /nfs/dbraw/zinc/55/31/70/1118553170.db2.gz GFXGGROQUMNVOG-MFKMUULPSA-N 0 1 281.446 3.756 20 0 CHADMN CC[C@H](CC1CCCCC1)c1nc([C@@H]2CCCN2)no1 ZINC000647149315 1118553568 /nfs/dbraw/zinc/55/35/68/1118553568.db2.gz JPHANWDDXWVMAE-KGLIPLIRSA-N 0 1 277.412 3.958 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cncc(C)c1 ZINC001207160340 1118554087 /nfs/dbraw/zinc/55/40/87/1118554087.db2.gz AFYAZIFGKDKICV-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN COC(=O)/C(C)=C\CN[C@@H](C)c1oc2ccccc2c1C ZINC000754633395 1118555487 /nfs/dbraw/zinc/55/54/87/1118555487.db2.gz TYEYIPIDOGTQJU-FUWURINLSA-N 0 1 287.359 3.511 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2cnc(C3CC3)nc2)cc1 ZINC000656471490 1118560583 /nfs/dbraw/zinc/56/05/83/1118560583.db2.gz SBQWSVWXFKXGCY-CYBMUJFWSA-N 0 1 297.402 3.604 20 0 CHADMN CCCCC[C@H](NC)c1nc(-c2ccc(OC)cc2)no1 ZINC001212281353 1128785585 /nfs/dbraw/zinc/78/55/85/1128785585.db2.gz UYXKYXMHBWMTRR-AWEZNQCLSA-N 0 1 289.379 3.586 20 0 CHADMN Cc1ccc(/C=C/c2nc([C@@H]3CCCN3)no2)cc1Cl ZINC000647154946 1118567216 /nfs/dbraw/zinc/56/72/16/1118567216.db2.gz NZMCFHBILOCOHG-YBJDMEARSA-N 0 1 289.766 3.626 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccc3c(n1)CCC3)CC2 ZINC000656497521 1118567754 /nfs/dbraw/zinc/56/77/54/1118567754.db2.gz FOLMZBXXIGNBMC-LJQANCHMSA-N 0 1 278.399 3.656 20 0 CHADMN FCC[C@@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000625538514 1118567972 /nfs/dbraw/zinc/56/79/72/1118567972.db2.gz KKMKNISWDCDFKV-NSHDSACASA-N 0 1 290.304 3.672 20 0 CHADMN FCC[C@@H]1CCCN(Cc2cccnc2C(F)(F)F)C1 ZINC000625538514 1118567974 /nfs/dbraw/zinc/56/79/74/1118567974.db2.gz KKMKNISWDCDFKV-NSHDSACASA-N 0 1 290.304 3.672 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000300288835 1118575930 /nfs/dbraw/zinc/57/59/30/1118575930.db2.gz UIUYPHIDPSVMIZ-YJBOKZPZSA-N 0 1 289.419 3.613 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1ccc(C(C)(C)C)cc1 ZINC000111692041 1118580516 /nfs/dbraw/zinc/58/05/16/1118580516.db2.gz WULWIBJFRWLABA-KRWDZBQOSA-N 0 1 273.420 3.928 20 0 CHADMN Cc1nccc(N2CCC[C@@H](C3CC3)C2)c1Cl ZINC000341026827 1118587390 /nfs/dbraw/zinc/58/73/90/1118587390.db2.gz BZKVWGZGERDGPX-GFCCVEGCSA-N 0 1 250.773 3.670 20 0 CHADMN C1CC([C@H]2CC[C@H](c3nc([C@@H]4CCCN4)no3)CC2)C1 ZINC000656560908 1118595235 /nfs/dbraw/zinc/59/52/35/1118595235.db2.gz LWCYAUKEEOCBMB-IHRRRGAJSA-N 0 1 275.396 3.568 20 0 CHADMN COc1ccc(CN2CCC[C@@H]2c2ccc(OC)cc2)o1 ZINC000891396884 1118595314 /nfs/dbraw/zinc/59/53/14/1118595314.db2.gz GGILUUDOMTVKQU-MRXNPFEDSA-N 0 1 287.359 3.634 20 0 CHADMN C/C=C/c1ccc(NS(=O)(=O)c2ccsc2)cc1 ZINC000341053705 1118599213 /nfs/dbraw/zinc/59/92/13/1118599213.db2.gz TWYOVCZZKVVTIJ-NSCUHMNNSA-N 0 1 279.386 3.582 20 0 CHADMN Cn1ccnc1Nc1cc(OCc2ccccc2)ccc1F ZINC001213272265 1128788435 /nfs/dbraw/zinc/78/84/35/1128788435.db2.gz CXHJFIXTFPEQDD-UHFFFAOYSA-N 0 1 297.333 3.882 20 0 CHADMN COc1cc(F)c(F)cc1CN1CC[C@H](C)C[C@@H]1C ZINC001143394647 1118606642 /nfs/dbraw/zinc/60/66/42/1118606642.db2.gz KLULAWLFFWQDEJ-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN COc1cc(F)c(F)cc1CN1CCC[C@H]2CCC[C@@H]21 ZINC001143394509 1118606659 /nfs/dbraw/zinc/60/66/59/1118606659.db2.gz FLIBAXWONXVLHU-ABAIWWIYSA-N 0 1 281.346 3.738 20 0 CHADMN c1c(CNc2ccc3cnccc3c2)onc1C1CC1 ZINC000656655036 1118622548 /nfs/dbraw/zinc/62/25/48/1118622548.db2.gz VJHBIFFHHAGSCX-UHFFFAOYSA-N 0 1 265.316 3.712 20 0 CHADMN CC[C@H](NCc1nc2cccnc2s1)c1ccccc1 ZINC000341214993 1118624184 /nfs/dbraw/zinc/62/41/84/1118624184.db2.gz BZAHJSPXBAXUKI-ZDUSSCGKSA-N 0 1 283.400 3.932 20 0 CHADMN Cc1cc(C)cc(CN2CC(CC(F)(F)F)C2)c1 ZINC000656686417 1118635830 /nfs/dbraw/zinc/63/58/30/1118635830.db2.gz JZRFRGOBDHBGHH-UHFFFAOYSA-N 0 1 257.299 3.688 20 0 CHADMN C[C@@H](NCc1c(C2CC2)cnn1C)c1cccc(Cl)c1 ZINC000656686995 1118636122 /nfs/dbraw/zinc/63/61/22/1118636122.db2.gz IRYGCJSMMBVKGT-LLVKDONJSA-N 0 1 289.810 3.802 20 0 CHADMN FC(F)(F)CC1CN(Cc2ccc3ncccc3c2)C1 ZINC000656685954 1118636375 /nfs/dbraw/zinc/63/63/75/1118636375.db2.gz FBEUUVJFHXPLGE-UHFFFAOYSA-N 0 1 280.293 3.619 20 0 CHADMN C[C@@H](Cc1ccsc1)N1CC(CC(F)(F)F)C1 ZINC000656688404 1118637107 /nfs/dbraw/zinc/63/71/07/1118637107.db2.gz NRDHZMCGQPAXMZ-VIFPVBQESA-N 0 1 263.328 3.563 20 0 CHADMN COc1ccc2cc(CN3CC(C(F)F)C3)ccc2c1 ZINC000656690610 1118638099 /nfs/dbraw/zinc/63/80/99/1118638099.db2.gz JUFIJBKNDJMQPD-UHFFFAOYSA-N 0 1 277.314 3.545 20 0 CHADMN Cc1cc(CN2CC3(CC(F)C3)C2)cc(C)c1OC(F)F ZINC000656694036 1118638530 /nfs/dbraw/zinc/63/85/30/1118638530.db2.gz ZJHUIXQIEKHIQA-UHFFFAOYSA-N 0 1 299.336 3.839 20 0 CHADMN COc1cc2ccccc2cc1CN1CC2(CC(F)C2)C1 ZINC000656693505 1118639921 /nfs/dbraw/zinc/63/99/21/1118639921.db2.gz HWBCTBLEERLLQZ-UHFFFAOYSA-N 0 1 285.362 3.782 20 0 CHADMN COCCC1CCN(Cc2cccc(OC)c2Cl)CC1 ZINC000625631786 1118643619 /nfs/dbraw/zinc/64/36/19/1118643619.db2.gz KPPSJULAIUFPRO-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN Cc1cnc([C@@H](C)CN[C@@H]2CCCc3oc(C)nc32)s1 ZINC000926160015 1118649283 /nfs/dbraw/zinc/64/92/83/1118649283.db2.gz WKWYEXQKHBHLSI-JOYOIKCWSA-N 0 1 291.420 3.519 20 0 CHADMN C[C@@]1(Cc2ccccc2Cl)CCC[N@H+]1CCCC(=O)[O-] ZINC000656757887 1118650390 /nfs/dbraw/zinc/65/03/90/1118650390.db2.gz CCZMOKJBHARUNG-INIZCTEOSA-N 0 1 295.810 3.602 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)s1 ZINC000656762005 1118650757 /nfs/dbraw/zinc/65/07/57/1118650757.db2.gz YVCNRGOKEOFJIM-CYBMUJFWSA-N 0 1 293.432 3.849 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCCC2CCC2)[C@H]2CCCC[C@@H]12 ZINC000656764000 1118651834 /nfs/dbraw/zinc/65/18/34/1118651834.db2.gz DTWZMKRLKYLFFE-XHSDSOJGSA-N 0 1 279.424 3.532 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)[C@@H]2CCCC[C@H]12 ZINC000656764956 1118652373 /nfs/dbraw/zinc/65/23/73/1118652373.db2.gz LWGXUNDHXRIRQC-FDTCJOIESA-N 0 1 299.414 3.665 20 0 CHADMN COc1ccccc1CNc1nccc(C)c1C1CC1 ZINC000656779929 1118654463 /nfs/dbraw/zinc/65/44/63/1118654463.db2.gz XPUXMSPXYXCXOC-UHFFFAOYSA-N 0 1 268.360 3.888 20 0 CHADMN CC(=O)Nc1ccccc1CNc1nccc(C)c1C1CC1 ZINC000656779836 1118655742 /nfs/dbraw/zinc/65/57/42/1118655742.db2.gz VLHRXEZFSXGUPN-UHFFFAOYSA-N 0 1 295.386 3.838 20 0 CHADMN CCc1ccc(C)nc1NCc1cnc2ccc(C)cn12 ZINC000656778098 1118655912 /nfs/dbraw/zinc/65/59/12/1118655912.db2.gz MLBSSHOCNROLMR-UHFFFAOYSA-N 0 1 280.375 3.521 20 0 CHADMN CCc1ccc(C)nc1NCc1cccc(COC)c1 ZINC000656778079 1118656147 /nfs/dbraw/zinc/65/61/47/1118656147.db2.gz LMMUJBIOBKJARF-UHFFFAOYSA-N 0 1 270.376 3.711 20 0 CHADMN Cc1ccnc(NCc2cnc3cccc(C)n23)c1C1CC1 ZINC000656779668 1118656254 /nfs/dbraw/zinc/65/62/54/1118656254.db2.gz UCEMDADNDBSLBR-UHFFFAOYSA-N 0 1 292.386 3.836 20 0 CHADMN COc1ccc(CCC[N@@H+](C)CCC(F)(F)F)cc1 ZINC000077269122 1118662220 /nfs/dbraw/zinc/66/22/20/1118662220.db2.gz CICLWJZUVAHRMA-UHFFFAOYSA-N 0 1 275.314 3.512 20 0 CHADMN FC1(F)CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000625767585 1118663309 /nfs/dbraw/zinc/66/33/09/1118663309.db2.gz MGLXSXGDJMVFPX-UHFFFAOYSA-N 0 1 259.727 3.961 20 0 CHADMN Cc1cnc(CN[C@@H]2CC(C)(C)CCc3ccccc32)n1C ZINC000341337213 1118667348 /nfs/dbraw/zinc/66/73/48/1118667348.db2.gz FUXSPJDDPHEYMS-QGZVFWFLSA-N 0 1 297.446 3.922 20 0 CHADMN CN(C)c1ccccc1CN[C@@]1(C)CCOc2ccccc21 ZINC000933373441 1118672969 /nfs/dbraw/zinc/67/29/69/1118672969.db2.gz XVSBEKZLBAWLLE-IBGZPJMESA-N 0 1 296.414 3.540 20 0 CHADMN CC(C)c1cc(=O)n(-c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000128913569 1118676110 /nfs/dbraw/zinc/67/61/10/1118676110.db2.gz HIEFKXZKQSANBZ-UHFFFAOYSA-N 0 1 270.254 3.720 20 0 CHADMN CN1Cc2ccc(NCc3ccc(Cl)s3)cc2C1 ZINC000121266913 1118678883 /nfs/dbraw/zinc/67/88/83/1118678883.db2.gz WYPVZQZPDFUVNC-UHFFFAOYSA-N 0 1 278.808 3.959 20 0 CHADMN CC(C)(C)c1ncc(CN2CCC(C3CCC3)CC2)cn1 ZINC000668494634 1118679802 /nfs/dbraw/zinc/67/98/02/1118679802.db2.gz WLVPFTRPXUDTCC-UHFFFAOYSA-N 0 1 287.451 3.786 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2cccnc2Cl)CC1 ZINC000079054321 1118682832 /nfs/dbraw/zinc/68/28/32/1118682832.db2.gz SYIQDZRNFFUNLA-LBPRGKRZSA-N 0 1 252.789 3.747 20 0 CHADMN CCOc1ccccc1CN[C@@H](C)c1cnc(C)s1 ZINC000090404065 1118685192 /nfs/dbraw/zinc/68/51/92/1118685192.db2.gz IKJMVXSTJWOJCU-NSHDSACASA-N 0 1 276.405 3.701 20 0 CHADMN Cc1ccc(NC(=O)CN2C[C@H](C)CC[C@@H]2C)cc1Cl ZINC001167482286 1118690208 /nfs/dbraw/zinc/69/02/08/1118690208.db2.gz IHMAIIYPRFBFEL-YPMHNXCESA-N 0 1 294.826 3.707 20 0 CHADMN Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)nc1Cl ZINC001167482372 1118692505 /nfs/dbraw/zinc/69/25/05/1118692505.db2.gz JUAWNIKZZPQXBF-JQWIXIFHSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1ccc(CN2CCC[C@H](C)[C@@H]2C)nc1Cl ZINC001167482372 1118692508 /nfs/dbraw/zinc/69/25/08/1118692508.db2.gz JUAWNIKZZPQXBF-JQWIXIFHSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2CCc3cc(F)ccc32)s1 ZINC000090405989 1118695149 /nfs/dbraw/zinc/69/51/49/1118695149.db2.gz BYWMGYWBRBXYIU-LKFCYVNXSA-N 0 1 276.380 3.929 20 0 CHADMN Cc1ccncc1CN(C)Cc1ccccc1C1CC1 ZINC000684425424 1118700726 /nfs/dbraw/zinc/70/07/26/1118700726.db2.gz OGKBZGOYUASKLB-UHFFFAOYSA-N 0 1 266.388 3.899 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2ccc(F)cc2)o1 ZINC000891535826 1118704108 /nfs/dbraw/zinc/70/41/08/1118704108.db2.gz GUCYVCBJIKMJFJ-LLVKDONJSA-N 0 1 263.312 3.620 20 0 CHADMN CC(C)COc1ccc(CN2CCC(F)(F)CC2)cc1 ZINC000684429200 1118704467 /nfs/dbraw/zinc/70/44/67/1118704467.db2.gz RAMQVEIAFMIHID-UHFFFAOYSA-N 0 1 283.362 3.953 20 0 CHADMN COc1ccc([C@@H](C)NCc2c(C)nsc2C)cc1C ZINC000933483624 1118704599 /nfs/dbraw/zinc/70/45/99/1118704599.db2.gz CMMAYJLXVDYXNM-LLVKDONJSA-N 0 1 290.432 3.928 20 0 CHADMN COc1ccc([C@@H](C)NCc2cn3ccccc3n2)cc1C ZINC000933490475 1118706025 /nfs/dbraw/zinc/70/60/25/1118706025.db2.gz XLUKGURMXBTFBI-CQSZACIVSA-N 0 1 295.386 3.502 20 0 CHADMN CSc1ncc(Nc2ccc3nccn3c2)cc1Cl ZINC001216026710 1118707225 /nfs/dbraw/zinc/70/72/25/1118707225.db2.gz RRPOUGGTYRVAJZ-UHFFFAOYSA-N 0 1 290.779 3.848 20 0 CHADMN Cn1ncc(CN2CCC[C@@H]2c2ccc(F)cc2)c1C1CC1 ZINC000891550157 1118707852 /nfs/dbraw/zinc/70/78/52/1118707852.db2.gz LTFFGSCZJUGPJZ-QGZVFWFLSA-N 0 1 299.393 3.774 20 0 CHADMN O=c1[nH]c2cccc(CN(Cc3ccccc3)C3CC3)c2o1 ZINC000891561109 1118710773 /nfs/dbraw/zinc/71/07/73/1118710773.db2.gz JADMPMKRDKFLPZ-UHFFFAOYSA-N 0 1 294.354 3.698 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1Oc1ccccc1 ZINC000650517441 1118722625 /nfs/dbraw/zinc/72/26/25/1118722625.db2.gz LMLCDYPBWKJKLD-MRXNPFEDSA-N 0 1 299.370 3.774 20 0 CHADMN c1ccc([C@H]2CCCN2Cc2nccc3c2CCCC3)nc1 ZINC000891629157 1118725482 /nfs/dbraw/zinc/72/54/82/1118725482.db2.gz BYAHGOYXBXMODM-LJQANCHMSA-N 0 1 293.414 3.693 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2cnc(C)s2)cc1F ZINC000090408631 1118725506 /nfs/dbraw/zinc/72/55/06/1118725506.db2.gz ASGQZCQTNJBVOI-JTQLQIEISA-N 0 1 294.395 3.840 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226419415 1118730081 /nfs/dbraw/zinc/73/00/81/1118730081.db2.gz UAYHFTQHPVJGLI-NEPJUHHUSA-N 0 1 281.783 3.588 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnc(C)s1)c1c(C)nn(C)c1C ZINC000090418379 1118734132 /nfs/dbraw/zinc/73/41/32/1118734132.db2.gz OCZDVROVZGFUOX-TVQRCGJNSA-N 0 1 292.452 3.604 20 0 CHADMN COc1ncncc1CN[C@@H](CC1CCC1)c1ccccc1 ZINC000647199900 1118740662 /nfs/dbraw/zinc/74/06/62/1118740662.db2.gz YDDJIQAFBRKERP-KRWDZBQOSA-N 0 1 297.402 3.506 20 0 CHADMN CC(C)C[C@@H]1CC[N@@H+](Cc2nc3cccnc3s2)C1 ZINC000341563974 1118741851 /nfs/dbraw/zinc/74/18/51/1118741851.db2.gz LEKMZQKPXQZWIY-LBPRGKRZSA-N 0 1 275.421 3.559 20 0 CHADMN Fc1ccc(C2CC(NCc3cocn3)C2)cc1Cl ZINC000341567239 1118742758 /nfs/dbraw/zinc/74/27/58/1118742758.db2.gz PRSNTWROTXDNND-UHFFFAOYSA-N 0 1 280.730 3.503 20 0 CHADMN Fc1cccc(Cl)c1[C@@H]1C[C@H]1NCc1nccs1 ZINC000657046352 1118744500 /nfs/dbraw/zinc/74/45/00/1118744500.db2.gz KJTIJDHMONCOFO-LDYMZIIASA-N 0 1 282.771 3.581 20 0 CHADMN CC(C)Cn1nccc1CNCc1ccc(C(F)F)cc1 ZINC000647202119 1118745521 /nfs/dbraw/zinc/74/55/21/1118745521.db2.gz MZVOTTDPHRJCRS-UHFFFAOYSA-N 0 1 293.361 3.767 20 0 CHADMN Cc1ccccc1Cc1noc(CN2C[C@H](C)CC2(C)C)n1 ZINC000430708156 1118761888 /nfs/dbraw/zinc/76/18/88/1118761888.db2.gz IHNXDMCLXBBNLN-CYBMUJFWSA-N 0 1 299.418 3.589 20 0 CHADMN Cc1ccccc1Cc1noc(CN2C[C@@H](C)CC2(C)C)n1 ZINC000430708158 1118762145 /nfs/dbraw/zinc/76/21/45/1118762145.db2.gz IHNXDMCLXBBNLN-ZDUSSCGKSA-N 0 1 299.418 3.589 20 0 CHADMN CN(Cc1ccco1)[C@@H]1CCCc2ccc(F)cc21 ZINC000510550046 1118768516 /nfs/dbraw/zinc/76/85/16/1118768516.db2.gz XTDKTYILXGWWCW-MRXNPFEDSA-N 0 1 259.324 3.928 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@@H](C)c2cncs2)s1 ZINC000129256591 1118772770 /nfs/dbraw/zinc/77/27/70/1118772770.db2.gz OCICUFFDEIVOOU-YUMQZZPRSA-N 0 1 267.423 3.628 20 0 CHADMN Cc1cc(F)ncc1CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000891797155 1118779198 /nfs/dbraw/zinc/77/91/98/1118779198.db2.gz TYGJFIVVOCQADH-MRXNPFEDSA-N 0 1 286.350 3.572 20 0 CHADMN COc1cc(C[N@@H+]2CC(C)=C[C@H](C)C2)ccc1OC(C)C ZINC000430872489 1118780770 /nfs/dbraw/zinc/78/07/70/1118780770.db2.gz JJNZQILPHMKNJZ-AWEZNQCLSA-N 0 1 289.419 3.880 20 0 CHADMN CC1=C[C@H](C)CN(Cc2cnc(C(C)(C)C)s2)C1 ZINC000430878605 1118782445 /nfs/dbraw/zinc/78/24/45/1118782445.db2.gz JKBYQYUKDJKAMG-NSHDSACASA-N 0 1 264.438 3.839 20 0 CHADMN COc1ccc(Cl)cc1CN(C)CCOCC1CCC1 ZINC000341674430 1118792361 /nfs/dbraw/zinc/79/23/61/1118792361.db2.gz ICIRKDXXIBFIII-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN C[C@@H](N[C@H]1CCCc2sc(Cl)cc21)c1cnn(C)c1 ZINC000293874795 1118796297 /nfs/dbraw/zinc/79/62/97/1118796297.db2.gz YLTOTYUAUFSUBO-SKDRFNHKSA-N 0 1 295.839 3.863 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2sc(Cl)cc21)c1cnn(C)c1 ZINC000293874791 1118796705 /nfs/dbraw/zinc/79/67/05/1118796705.db2.gz YLTOTYUAUFSUBO-BXKDBHETSA-N 0 1 295.839 3.863 20 0 CHADMN C[C@@]1(NCc2nccn2C(F)F)CCCc2ccccc21 ZINC000341688837 1118798426 /nfs/dbraw/zinc/79/84/26/1118798426.db2.gz GQRIGAPCJZRPFB-MRXNPFEDSA-N 0 1 291.345 3.620 20 0 CHADMN Cc1cnc(CN[C@@H]2c3ccccc3CC[C@H]2C)s1 ZINC000341695201 1118799417 /nfs/dbraw/zinc/79/94/17/1118799417.db2.gz JWYINZZEXBMWMX-BZNIZROVSA-N 0 1 272.417 3.865 20 0 CHADMN CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(COC)o1 ZINC000091897131 1118813103 /nfs/dbraw/zinc/81/31/03/1118813103.db2.gz YXEPGTVHRJUSTG-OAHLLOKOSA-N 0 1 291.416 3.997 20 0 CHADMN CC[C@@H]1c2ccsc2CCN1Cc1ccc(COC)o1 ZINC000091897131 1118813111 /nfs/dbraw/zinc/81/31/11/1118813111.db2.gz YXEPGTVHRJUSTG-OAHLLOKOSA-N 0 1 291.416 3.997 20 0 CHADMN Cc1ccccc1[C@@H]1CCN(Cc2nccn2C2CC2)C1 ZINC000891871534 1118815536 /nfs/dbraw/zinc/81/55/36/1118815536.db2.gz PHILNWGLGVJIKB-OAHLLOKOSA-N 0 1 281.403 3.516 20 0 CHADMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1nc(-c2cccc(C)c2)no1 ZINC000466904936 1118844624 /nfs/dbraw/zinc/84/46/24/1118844624.db2.gz PHPCBJLEMLLUDG-UKRRQHHQSA-N 0 1 285.391 3.665 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2cc(Cl)ccn2)cc1 ZINC000092407182 1118845042 /nfs/dbraw/zinc/84/50/42/1118845042.db2.gz INAXTDSARHCCLR-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(Cl)ccn2)cc1 ZINC000092407182 1118845048 /nfs/dbraw/zinc/84/50/48/1118845048.db2.gz INAXTDSARHCCLR-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccnn1C1CCC1)c1ccccc1 ZINC000891915703 1118845771 /nfs/dbraw/zinc/84/57/71/1118845771.db2.gz KHRXMBXCFDSVOM-OAHLLOKOSA-N 0 1 283.419 3.844 20 0 CHADMN CC[C@@H](C)CN(C)Cc1cc(O)ccc1Br ZINC000132589380 1118851964 /nfs/dbraw/zinc/85/19/64/1118851964.db2.gz FFQXYEIQZBLUTA-SNVBAGLBSA-N 0 1 286.213 3.633 20 0 CHADMN CCOc1ccc(CNc2cc[nH+]c3c([O-])cccc23)cc1 ZINC000684570566 1118853162 /nfs/dbraw/zinc/85/31/62/1118853162.db2.gz VRMVIOBIGUQSRZ-UHFFFAOYSA-N 0 1 294.354 3.951 20 0 CHADMN CCc1nc(CCNc2cc[nH+]c3c([O-])cccc23)cs1 ZINC000684572666 1118855043 /nfs/dbraw/zinc/85/50/43/1118855043.db2.gz VFKYTCGNHWHBDA-UHFFFAOYSA-N 0 1 299.399 3.614 20 0 CHADMN Cc1cccnc1CN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000093178773 1118858517 /nfs/dbraw/zinc/85/85/17/1118858517.db2.gz QWDBUURMZADVQY-WMLDXEAASA-N 0 1 252.361 3.583 20 0 CHADMN CCc1ccccc1CN[C@H](C)c1nc2ccccc2n1C ZINC000133094153 1118859397 /nfs/dbraw/zinc/85/93/97/1118859397.db2.gz KVVXSIAPCKUBSK-CQSZACIVSA-N 0 1 293.414 3.987 20 0 CHADMN CC[C@@H](NCc1c(C)nn(C)c1Cl)c1ccccc1 ZINC000133516433 1118865169 /nfs/dbraw/zinc/86/51/69/1118865169.db2.gz FOICOJNSNLXLCI-CQSZACIVSA-N 0 1 277.799 3.623 20 0 CHADMN C[C@@H]1CCC[C@@H](CN2CC(C)(C)[C@@H]2c2nccn2C)C1 ZINC000449415495 1118875825 /nfs/dbraw/zinc/87/58/25/1118875825.db2.gz PFKVNYXJEHMWHH-KFWWJZLASA-N 0 1 275.440 3.629 20 0 CHADMN Cc1cccc(CN[C@@H]2CCc3ccc(Cl)cc32)n1 ZINC000535710144 1118878104 /nfs/dbraw/zinc/87/81/04/1118878104.db2.gz GXGKPBSREKILCL-MRXNPFEDSA-N 0 1 272.779 3.821 20 0 CHADMN CC[C@H](C)N(CC)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000616984776 1128807117 /nfs/dbraw/zinc/80/71/17/1128807117.db2.gz NMMQTINIVBBHJE-ZDUSSCGKSA-N 0 1 285.391 3.646 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC000535776869 1118884190 /nfs/dbraw/zinc/88/41/90/1118884190.db2.gz GQWOSADSVJWFQV-ZJUUUORDSA-N 0 1 295.789 3.933 20 0 CHADMN COc1ccc(CCN[C@@H](C)c2cscn2)c(Cl)c1 ZINC000535777470 1118885034 /nfs/dbraw/zinc/88/50/34/1118885034.db2.gz INRYAFNNJGIROB-JTQLQIEISA-N 0 1 296.823 3.698 20 0 CHADMN C[C@@H](NCCc1ccc2ccccc2n1)c1cscn1 ZINC000535776961 1118884285 /nfs/dbraw/zinc/88/42/85/1118884285.db2.gz UJLRNUOIKDRIDO-GFCCVEGCSA-N 0 1 283.400 3.585 20 0 CHADMN CCCCN(Cc1nc2ccccc2n1CC)C1CC1 ZINC000535795541 1118888009 /nfs/dbraw/zinc/88/80/09/1118888009.db2.gz FTWAZCOEHYZFMX-UHFFFAOYSA-N 0 1 271.408 3.821 20 0 CHADMN CCc1cc(NC(=O)c2c(O)cccc2F)ccc1C ZINC000380442859 1118894219 /nfs/dbraw/zinc/89/42/19/1118894219.db2.gz OEUWVBHFYBUBCA-UHFFFAOYSA-N 0 1 273.307 3.654 20 0 CHADMN CCc1ccc(NC(=O)c2c(C)n[nH]c2C(C)C)cc1C ZINC000535820232 1118897288 /nfs/dbraw/zinc/89/72/88/1118897288.db2.gz IXWJAAQUCDTCID-UHFFFAOYSA-N 0 1 285.391 3.965 20 0 CHADMN CC[C@H](CC(=O)Nc1ccc2c(C)[nH]nc2c1)C(C)C ZINC000535820580 1118898245 /nfs/dbraw/zinc/89/82/45/1118898245.db2.gz DQDNNUCDWKHWMJ-GFCCVEGCSA-N 0 1 273.380 3.882 20 0 CHADMN C(=C/[C@H]1CCCCCN1Cc1cc[nH]n1)\c1ccccc1 ZINC000535825374 1118901581 /nfs/dbraw/zinc/90/15/81/1118901581.db2.gz XUGKPRXZGARFJY-DOJUMQAQSA-N 0 1 281.403 3.868 20 0 CHADMN CCN(Cc1nc(-c2ccc(C)cc2)no1)CC1CCC1 ZINC000684624298 1118910557 /nfs/dbraw/zinc/91/05/57/1118910557.db2.gz QZDRXSFJNHXACJ-UHFFFAOYSA-N 0 1 285.391 3.667 20 0 CHADMN CSc1ccc(OCCN2CCC(F)(F)CC2)cc1 ZINC000684625849 1118912227 /nfs/dbraw/zinc/91/22/27/1118912227.db2.gz KUFORYLZMGZAFX-UHFFFAOYSA-N 0 1 287.375 3.518 20 0 CHADMN CN(C)Cc1cccc(Nc2ccnc(Cl)c2F)c1F ZINC001216227748 1118913090 /nfs/dbraw/zinc/91/30/90/1118913090.db2.gz IHGBZBLEQULUPO-UHFFFAOYSA-N 0 1 297.736 3.818 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000684627762 1118913493 /nfs/dbraw/zinc/91/34/93/1118913493.db2.gz IZFOAGLTDPRJER-ZDUSSCGKSA-N 0 1 299.418 3.594 20 0 CHADMN CC(C)CC[C@@H](C)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000236606482 1118920658 /nfs/dbraw/zinc/92/06/58/1118920658.db2.gz DKSBQVPHKIVXIY-NEPJUHHUSA-N 0 1 267.417 3.842 20 0 CHADMN C[C@H](CCC1CC1)NCc1occc1Br ZINC000308825066 1118922797 /nfs/dbraw/zinc/92/27/97/1118922797.db2.gz DKBJRNYIMMGUHR-SECBINFHSA-N 0 1 272.186 3.710 20 0 CHADMN Clc1oc2ccccc2c1CN1CCC[C@@H]2COC[C@@H]21 ZINC000657215226 1118924626 /nfs/dbraw/zinc/92/46/26/1118924626.db2.gz NXQGABWYDMYEBW-RISCZKNCSA-N 0 1 291.778 3.697 20 0 CHADMN Cc1nc(CN[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)cs1 ZINC000657250297 1118935332 /nfs/dbraw/zinc/93/53/32/1118935332.db2.gz GDGQIVRQRRDWCJ-QWHCGFSZSA-N 0 1 282.453 3.523 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1ccc(O)cc1 ZINC000130294254 1118936509 /nfs/dbraw/zinc/93/65/09/1118936509.db2.gz VRXGYUXBSWTBKK-ZDUSSCGKSA-N 0 1 271.360 3.642 20 0 CHADMN CCc1nc([C@H](C)Sc2ncc(C(C)(C)C)o2)n[nH]1 ZINC000657252511 1118936683 /nfs/dbraw/zinc/93/66/83/1118936683.db2.gz NMUPXPAHMPAOGK-QMMMGPOBSA-N 0 1 280.397 3.506 20 0 CHADMN CC(C)(C)c1ccc(CN[C@@H](CO)c2ccsc2)cc1 ZINC000472045709 1118947805 /nfs/dbraw/zinc/94/78/05/1118947805.db2.gz VULQYUKFPCSVOG-INIZCTEOSA-N 0 1 289.444 3.869 20 0 CHADMN Cn1ccnc1CN[C@H](c1cccc(F)c1)C1CCCC1 ZINC000342234818 1118950646 /nfs/dbraw/zinc/95/06/46/1118950646.db2.gz ZCISQQNRUBHQFA-KRWDZBQOSA-N 0 1 287.382 3.580 20 0 CHADMN COc1cccc(-c2csc(CN(C)C3CCC3)n2)c1 ZINC000892059114 1118952051 /nfs/dbraw/zinc/95/20/51/1118952051.db2.gz VZNIVNHGHWQSHU-UHFFFAOYSA-N 0 1 288.416 3.803 20 0 CHADMN CCCN(Cc1c(F)cc(F)cc1F)CC1CC1 ZINC001140529767 1118952833 /nfs/dbraw/zinc/95/28/33/1118952833.db2.gz WDTBKXVNFHADMD-UHFFFAOYSA-N 0 1 257.299 3.726 20 0 CHADMN Fc1c(CNCc2ccccc2)cccc1OC1CC1 ZINC000657291057 1118959995 /nfs/dbraw/zinc/95/99/95/1118959995.db2.gz RQZVFEIFPPIPLR-UHFFFAOYSA-N 0 1 271.335 3.657 20 0 CHADMN Cc1ccccc1[C@H](C)NCc1cc(C(F)(F)F)nn1C ZINC000657290244 1118960794 /nfs/dbraw/zinc/96/07/94/1118960794.db2.gz LPMOGQMOQBHKEN-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN C[C@@H](NCc1ccnn1CC1CC1)c1cc2ccccc2o1 ZINC000657293324 1118962144 /nfs/dbraw/zinc/96/21/44/1118962144.db2.gz LURRXCNPGRCNHC-CYBMUJFWSA-N 0 1 295.386 3.890 20 0 CHADMN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1nccn1C1CC1 ZINC000892115213 1118971027 /nfs/dbraw/zinc/97/10/27/1118971027.db2.gz WCJUBEMOAVOAGR-MRXNPFEDSA-N 0 1 283.419 3.671 20 0 CHADMN CC[C@H](Cc1ccccc1)N(C)Cc1nccn1C1CC1 ZINC000892115213 1118971029 /nfs/dbraw/zinc/97/10/29/1118971029.db2.gz WCJUBEMOAVOAGR-MRXNPFEDSA-N 0 1 283.419 3.671 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)c2ccccc2)o1 ZINC000892117618 1118974266 /nfs/dbraw/zinc/97/42/66/1118974266.db2.gz OOJKBMODLRRMMK-OAHLLOKOSA-N 0 1 299.370 3.526 20 0 CHADMN COc1ccc(CN2CCC[C@@H]2CC(=O)c2ccccc2)o1 ZINC000892117618 1118974267 /nfs/dbraw/zinc/97/42/67/1118974267.db2.gz OOJKBMODLRRMMK-OAHLLOKOSA-N 0 1 299.370 3.526 20 0 CHADMN Cn1cc([C@@H](NCc2cccc(F)c2F)C(C)(C)C)cn1 ZINC000342328522 1118978468 /nfs/dbraw/zinc/97/84/68/1118978468.db2.gz UVWWVKYGPPSCGM-OAHLLOKOSA-N 0 1 293.361 3.575 20 0 CHADMN COCc1csc(CN[C@H]2CCCc3occc32)c1 ZINC000657307913 1118979478 /nfs/dbraw/zinc/97/94/78/1118979478.db2.gz VEIMFOWXNZABJG-AWEZNQCLSA-N 0 1 277.389 3.655 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1csc(Cc2ccccc2)n1 ZINC000071950754 1118980376 /nfs/dbraw/zinc/98/03/76/1118980376.db2.gz UPHJSIBDIIQOAK-CYBMUJFWSA-N 0 1 286.444 3.964 20 0 CHADMN Brc1cccc2c1CC[C@@H]2NCc1ccco1 ZINC000105491905 1118982477 /nfs/dbraw/zinc/98/24/77/1118982477.db2.gz FXGLWFAYWCRFPP-AWEZNQCLSA-N 0 1 292.176 3.819 20 0 CHADMN COc1cccc2c1CN(CCC1CCCCC1)C2 ZINC001207261463 1118982989 /nfs/dbraw/zinc/98/29/89/1118982989.db2.gz TXTHBGRUTHTZRB-UHFFFAOYSA-N 0 1 259.393 3.981 20 0 CHADMN C[C@@H](NCc1nc(C(C)(C)C)co1)C1CCCC1 ZINC000724432328 1119001854 /nfs/dbraw/zinc/00/18/54/1119001854.db2.gz IBRRHMZQPRINLF-LLVKDONJSA-N 0 1 250.386 3.640 20 0 CHADMN CSCC1CCC(NCc2nc(C(C)(C)C)co2)CC1 ZINC000724430676 1119002032 /nfs/dbraw/zinc/00/20/32/1119002032.db2.gz XGDHCAQWYGNGTB-UHFFFAOYSA-N 0 1 296.480 3.984 20 0 CHADMN CCOc1ccccc1CNCc1cc(COC)cs1 ZINC000657325392 1119002186 /nfs/dbraw/zinc/00/21/86/1119002186.db2.gz DMLAMPFWVXQMTJ-UHFFFAOYSA-N 0 1 291.416 3.583 20 0 CHADMN COc1ccc2nc(S[C@@H](C)c3ccncc3)[nH]c2c1 ZINC000072033828 1119003528 /nfs/dbraw/zinc/00/35/28/1119003528.db2.gz CVTCKZNLLYHUBM-JTQLQIEISA-N 0 1 285.372 3.820 20 0 CHADMN CC(C)(C)c1coc(CNC2CCC(F)(F)CC2)n1 ZINC000724436373 1119006032 /nfs/dbraw/zinc/00/60/32/1119006032.db2.gz BIUNJWVCNHPUIN-UHFFFAOYSA-N 0 1 272.339 3.640 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(F)c(F)c2F)cc1 ZINC000657335860 1119008350 /nfs/dbraw/zinc/00/83/50/1119008350.db2.gz JWDVVOBGOMFCHH-SNVBAGLBSA-N 0 1 295.304 3.963 20 0 CHADMN Cc1c[nH]c(CN[C@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000657335520 1119008716 /nfs/dbraw/zinc/00/87/16/1119008716.db2.gz LASQJVOXMYRPEN-KRWDZBQOSA-N 0 1 287.382 3.878 20 0 CHADMN Cc1ccc(CN[C@@H](c2ncccc2C)C(C)(C)C)cn1 ZINC000934288845 1119008831 /nfs/dbraw/zinc/00/88/31/1119008831.db2.gz ZHQFASIXVBYZAW-KRWDZBQOSA-N 0 1 283.419 3.970 20 0 CHADMN Cc1cccnc1[C@@H](NCc1cncs1)C(C)(C)C ZINC000934286465 1119009936 /nfs/dbraw/zinc/00/99/36/1119009936.db2.gz GMOHNTNMWMELFB-CQSZACIVSA-N 0 1 275.421 3.724 20 0 CHADMN C[C@H]1Oc2ccccc2[C@@H]1NCc1ccc2ncccc2c1 ZINC000342419856 1119013892 /nfs/dbraw/zinc/01/38/92/1119013892.db2.gz NMYWUPRIQHOLAA-BFUOFWGJSA-N 0 1 290.366 3.847 20 0 CHADMN Cn1cccc1[C@@H]1CCCCN1Cc1cnn(C2CCC2)c1 ZINC000892194784 1119017037 /nfs/dbraw/zinc/01/70/37/1119017037.db2.gz YBXBCFDFVCNFNG-SFHVURJKSA-N 0 1 298.434 3.674 20 0 CHADMN Cc1nsc(C)c1CN1CCC[C@H](CC(F)(F)F)C1 ZINC000582130988 1119017243 /nfs/dbraw/zinc/01/72/43/1119017243.db2.gz SWGNGHDXSVEIIZ-LLVKDONJSA-N 0 1 292.370 3.924 20 0 CHADMN CCC[C@H](NCc1cc(COC)cs1)c1ccccn1 ZINC000657345921 1119017365 /nfs/dbraw/zinc/01/73/65/1119017365.db2.gz AQBZZZZCZVMMPU-HNNXBMFYSA-N 0 1 290.432 3.921 20 0 CHADMN Cc1nsc(C)c1CN1CCCC[C@@H]1c1cccn1C ZINC000582130019 1119017620 /nfs/dbraw/zinc/01/76/20/1119017620.db2.gz NHXJTRVLPTVLFN-MRXNPFEDSA-N 0 1 289.448 3.826 20 0 CHADMN COc1ccc(CN2CC[C@H](CC(F)(F)F)C2)c(F)c1 ZINC000563257076 1119019950 /nfs/dbraw/zinc/01/99/50/1119019950.db2.gz HBWMHNIZYQEGPB-SNVBAGLBSA-N 0 1 291.288 3.609 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1ccnn1C1CCC1 ZINC000892203201 1119022633 /nfs/dbraw/zinc/02/26/33/1119022633.db2.gz RWEAUNDDMMLFFY-ZDUSSCGKSA-N 0 1 281.469 3.572 20 0 CHADMN Cc1cc(F)c(CN[C@H]2CCC(F)(F)C2)c(F)c1 ZINC000643767542 1119023576 /nfs/dbraw/zinc/02/35/76/1119023576.db2.gz OPDLGFCCSONSSG-VIFPVBQESA-N 0 1 261.262 3.551 20 0 CHADMN Cc1cc(CN(C)C[C@H](C)c2ccc(C)cc2)no1 ZINC000628140554 1128816555 /nfs/dbraw/zinc/81/65/55/1128816555.db2.gz OOBVUQQAMNONNE-ZDUSSCGKSA-N 0 1 258.365 3.527 20 0 CHADMN CCOc1ccc(CN(CCC(F)(F)F)CC2CC2)o1 ZINC000892218807 1119032154 /nfs/dbraw/zinc/03/21/54/1119032154.db2.gz LDPDVQVBQNRTFH-UHFFFAOYSA-N 0 1 291.313 3.843 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2c(C)noc2C)c(C)c1 ZINC000657366181 1119032410 /nfs/dbraw/zinc/03/24/10/1119032410.db2.gz IQZSJCOVWQRJNN-LBPRGKRZSA-N 0 1 288.391 3.849 20 0 CHADMN CC(C)(C)c1nc(CNC2CC(C(F)(F)F)C2)cs1 ZINC000582203955 1119034590 /nfs/dbraw/zinc/03/45/90/1119034590.db2.gz ZWWYZOUUFBIPPK-UHFFFAOYSA-N 0 1 292.370 3.871 20 0 CHADMN CSc1cccc(NC(=O)c2cccc3nc[nH]c32)c1C ZINC000342460805 1119037447 /nfs/dbraw/zinc/03/74/47/1119037447.db2.gz LSNYZHQKXMSENV-UHFFFAOYSA-N 0 1 297.383 3.846 20 0 CHADMN COCc1csc(CNCc2cccc(Cl)c2F)c1 ZINC000657377240 1119039212 /nfs/dbraw/zinc/03/92/12/1119039212.db2.gz BFJXBRGPFXHURS-UHFFFAOYSA-N 0 1 299.798 3.977 20 0 CHADMN CSc1cccc(NC(=O)CN2[C@H](C)CC[C@@H]2C)c1C ZINC000342467832 1119042083 /nfs/dbraw/zinc/04/20/83/1119042083.db2.gz SBCIBPIGZKKHCZ-TXEJJXNPSA-N 0 1 292.448 3.528 20 0 CHADMN CCc1ccc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)s1 ZINC000135027837 1119049193 /nfs/dbraw/zinc/04/91/93/1119049193.db2.gz PIYMMNFZONOSIX-GFCCVEGCSA-N 0 1 295.448 3.633 20 0 CHADMN CCc1ccc(CN2CC[C@@H](C(F)(F)F)C2(C)C)nc1 ZINC000582314178 1119049430 /nfs/dbraw/zinc/04/94/30/1119049430.db2.gz KWRRYPCOYTUFLO-CYBMUJFWSA-N 0 1 286.341 3.807 20 0 CHADMN CCCn1nccc1CNC(C)(C)c1ccc(F)c(F)c1 ZINC000657390952 1119050553 /nfs/dbraw/zinc/05/05/53/1119050553.db2.gz LGQCOZQRRHOPDE-UHFFFAOYSA-N 0 1 293.361 3.596 20 0 CHADMN CCN(Cc1csc(C(F)(F)F)c1)C[C@@H]1CCCO1 ZINC000628152995 1128818675 /nfs/dbraw/zinc/81/86/75/1128818675.db2.gz WJXWXYQKJCXGPU-NSHDSACASA-N 0 1 293.354 3.768 20 0 CHADMN C[C@@H](NCc1ccn(C)c1)c1ccc(F)cc1Cl ZINC000158486395 1119064739 /nfs/dbraw/zinc/06/47/39/1119064739.db2.gz YGFBIYYGBUWKIX-SNVBAGLBSA-N 0 1 266.747 3.668 20 0 CHADMN Cc1cccc2[nH]c(CN[C@@H](C)c3n[nH]c(C(C)C)n3)cc21 ZINC000657420493 1119073199 /nfs/dbraw/zinc/07/31/99/1119073199.db2.gz QQCSYNSQOJKIMS-LBPRGKRZSA-N 0 1 297.406 3.569 20 0 CHADMN CC[C@@H]1C[C@H](N[C@@H](c2cccc(C)c2)c2ccccn2)CO1 ZINC000657423116 1119075088 /nfs/dbraw/zinc/07/50/88/1119075088.db2.gz WSEHMLUATYEWGP-SCTDSRPQSA-N 0 1 296.414 3.637 20 0 CHADMN Fc1cccc([C@H]2CCN(Cc3cnc(C4CC4)o3)C2)c1 ZINC000628164625 1128820876 /nfs/dbraw/zinc/82/08/76/1128820876.db2.gz WPGCAZRYHJXXPV-AWEZNQCLSA-N 0 1 286.350 3.681 20 0 CHADMN CCCN(CCc1cccc(F)c1)Cc1nc(C)c(C)[nH]1 ZINC000628176420 1128821526 /nfs/dbraw/zinc/82/15/26/1128821526.db2.gz JNUHETYORQGAGP-UHFFFAOYSA-N 0 1 289.398 3.620 20 0 CHADMN CC[C@@H]1C[C@H](N[C@@H](c2ccc(C)cc2)c2ccccn2)CO1 ZINC000657452786 1119107055 /nfs/dbraw/zinc/10/70/55/1119107055.db2.gz JSMBERHRFQGQPZ-SCTDSRPQSA-N 0 1 296.414 3.637 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1nccn1C(C)C)CCC2 ZINC000657467084 1119113563 /nfs/dbraw/zinc/11/35/63/1119113563.db2.gz WPUSOFTYTOXKEC-KRWDZBQOSA-N 0 1 283.419 3.940 20 0 CHADMN CCc1noc(C)c1CN(CCC(F)(F)F)CC1CC1 ZINC000119900891 1119114018 /nfs/dbraw/zinc/11/40/18/1119114018.db2.gz XSDHDBSGTYSRSZ-UHFFFAOYSA-N 0 1 290.329 3.710 20 0 CHADMN CC(C)(C)C[C@@H](NCc1ncc[nH]1)c1ccccc1 ZINC000049715360 1119118822 /nfs/dbraw/zinc/11/88/22/1119118822.db2.gz OCXRXFXAURGMQQ-CQSZACIVSA-N 0 1 257.381 3.677 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c2ccccc2n1 ZINC000152754482 1119122733 /nfs/dbraw/zinc/12/27/33/1119122733.db2.gz JLCHBQBMBCVSFU-BEFAXECRSA-N 0 1 296.414 3.544 20 0 CHADMN Cc1cc2ncc(C)c(Nc3ccnc(C(C)(C)C)c3)n2n1 ZINC001213160903 1119124180 /nfs/dbraw/zinc/12/41/80/1119124180.db2.gz RDKJRZGVAGKLPZ-UHFFFAOYSA-N 0 1 295.390 3.782 20 0 CHADMN CC(C)(C)c1cc(Nc2cnc(Cl)cn2)ccn1 ZINC001213161048 1119126476 /nfs/dbraw/zinc/12/64/76/1119126476.db2.gz ZNKJJKRFEAFNAV-UHFFFAOYSA-N 0 1 262.744 3.566 20 0 CHADMN CC(C)c1nnc(CN[C@H](C)CCC(C)(C)C)s1 ZINC000342692131 1119127948 /nfs/dbraw/zinc/12/79/48/1119127948.db2.gz XVFLIFNLPGVTMQ-LLVKDONJSA-N 0 1 269.458 3.966 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cnn(CC3CCC3)c2)c(C)n1 ZINC000934559492 1119135043 /nfs/dbraw/zinc/13/50/43/1119135043.db2.gz NYYDYGAPYDFECG-AWEZNQCLSA-N 0 1 298.434 3.546 20 0 CHADMN Fc1ccc(CNC[C@@H]2CCC3(CCCC3)O2)c(F)c1F ZINC000657506556 1119139277 /nfs/dbraw/zinc/13/92/77/1119139277.db2.gz MKYIXUCGDZPUOT-LBPRGKRZSA-N 0 1 299.336 3.685 20 0 CHADMN Fc1cc(-c2ncco2)ccc1CN1CC[C@H](C(F)F)C1 ZINC000663463468 1119140836 /nfs/dbraw/zinc/14/08/36/1119140836.db2.gz DGAPFDJFIYJBBW-LBPRGKRZSA-N 0 1 296.292 3.568 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2cccnc21)c1ccncc1 ZINC000684956369 1119141538 /nfs/dbraw/zinc/14/15/38/1119141538.db2.gz BYLADXWKVAOSOZ-CVEARBPZSA-N 0 1 267.376 3.595 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@@H]1CCCc3cccnc31)CC2 ZINC000684958566 1119142692 /nfs/dbraw/zinc/14/26/92/1119142692.db2.gz PDGMINHBFSCUDF-IAGOWNOFSA-N 0 1 282.362 3.875 20 0 CHADMN COc1ccc(C2(N[C@H]3CCCc4cccnc43)CC2)cc1 ZINC000684961157 1119144254 /nfs/dbraw/zinc/14/42/54/1119144254.db2.gz OCJMSTIFMQWEKY-KRWDZBQOSA-N 0 1 294.398 3.747 20 0 CHADMN CO[C@@H]1CCC[C@H](Nc2ccc(Cl)c(CN(C)C)c2)C1 ZINC000684963062 1119144300 /nfs/dbraw/zinc/14/43/00/1119144300.db2.gz KMVOVLAISONULQ-DZGCQCFKSA-N 0 1 296.842 3.771 20 0 CHADMN CC(C)=CCN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117351801 1119162776 /nfs/dbraw/zinc/16/27/76/1119162776.db2.gz KTCJNESMMDESDW-UHFFFAOYSA-N 0 1 275.236 3.769 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]3C[C@@H]32)cc1OC(F)(F)F ZINC001143446578 1119165509 /nfs/dbraw/zinc/16/55/09/1119165509.db2.gz FDMOGLUCJHJYGD-PWSUYJOCSA-N 0 1 289.272 3.709 20 0 CHADMN C[C@@H]1CN(Cc2cc(-c3ccccc3)no2)C[C@@H](C)S1 ZINC000075894193 1119180768 /nfs/dbraw/zinc/18/07/68/1119180768.db2.gz QOXDEDBMOVGULL-CHWSQXEVSA-N 0 1 288.416 3.667 20 0 CHADMN CC(C)(C)c1cnc(CN2CCC[C@@H]3CCC[C@@H]32)o1 ZINC000075768969 1119181216 /nfs/dbraw/zinc/18/12/16/1119181216.db2.gz BTLNEAZKRGLKLI-STQMWFEESA-N 0 1 262.397 3.737 20 0 CHADMN C[C@@H]1CCCN1Cc1csc(-c2ccccc2)n1 ZINC000076116772 1119182948 /nfs/dbraw/zinc/18/29/48/1119182948.db2.gz BKYSMGIUDIGLHO-GFCCVEGCSA-N 0 1 258.390 3.794 20 0 CHADMN CSc1ccc(Cl)c(NCc2[nH]ncc2C)c1 ZINC000657563139 1119186275 /nfs/dbraw/zinc/18/62/75/1119186275.db2.gz GQVJUHATOFWNFS-UHFFFAOYSA-N 0 1 267.785 3.706 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccccc3C)C2)cs1 ZINC000076724812 1119189576 /nfs/dbraw/zinc/18/95/76/1119189576.db2.gz GYVTYFYYJBMOOC-AWEZNQCLSA-N 0 1 272.417 3.749 20 0 CHADMN CC(C)(C)c1cc(Nc2ncc(O)cc2Cl)ccn1 ZINC001213163995 1119194029 /nfs/dbraw/zinc/19/40/29/1119194029.db2.gz FUKARLBMEHRUTO-UHFFFAOYSA-N 0 1 277.755 3.877 20 0 CHADMN CC[C@H](C)CCNCc1c(F)cncc1Br ZINC000657587446 1119200363 /nfs/dbraw/zinc/20/03/63/1119200363.db2.gz VCARFSCOYRBZCP-VIFPVBQESA-N 0 1 289.192 3.509 20 0 CHADMN Cc1ncc(CN(C)CCCOc2cccc(Cl)c2)o1 ZINC000628149065 1119201595 /nfs/dbraw/zinc/20/15/95/1119201595.db2.gz LJIIRZZBVZUKFY-UHFFFAOYSA-N 0 1 294.782 3.537 20 0 CHADMN Cc1ncc(CN[C@@H](c2ccccc2)C2CCC2)o1 ZINC000628213268 1128828713 /nfs/dbraw/zinc/82/87/13/1128828713.db2.gz DXTNTCPZRGFHGL-INIZCTEOSA-N 0 1 256.349 3.614 20 0 CHADMN Cc1ccnc(NCc2ccncc2C)c1C1CC1 ZINC000657612234 1119206916 /nfs/dbraw/zinc/20/69/16/1119206916.db2.gz JPOZUOSEWMBUQJ-UHFFFAOYSA-N 0 1 253.349 3.583 20 0 CHADMN CCC[N@@H+](Cc1nc(C)c(C)[nH]1)[C@@H]1CCc2ccccc2C1 ZINC000628153378 1119207825 /nfs/dbraw/zinc/20/78/25/1119207825.db2.gz MXEGUQAXWHQWCJ-GOSISDBHSA-N 0 1 297.446 3.796 20 0 CHADMN CCCn1cc(CN[C@H](c2ccccc2F)C(C)C)cn1 ZINC000657615959 1119208241 /nfs/dbraw/zinc/20/82/41/1119208241.db2.gz UFLWCPHOMSJQBR-KRWDZBQOSA-N 0 1 289.398 3.919 20 0 CHADMN CC(C)[C@@H](NCc1cnc(C2CC2)nc1)c1ccccc1F ZINC000657615285 1119210047 /nfs/dbraw/zinc/21/00/47/1119210047.db2.gz ZNOSUAZCTNYINA-QGZVFWFLSA-N 0 1 299.393 3.980 20 0 CHADMN CCc1ccc(CN(Cc2ccccc2)CC2(CO)CC2)o1 ZINC000342857967 1119210718 /nfs/dbraw/zinc/21/07/18/1119210718.db2.gz GOVXCMKBJNVWAI-UHFFFAOYSA-N 0 1 299.414 3.617 20 0 CHADMN C[C@H]1Cc2ccccc2[C@H]1NCc1cnc2ccccc2n1 ZINC000628211995 1128829338 /nfs/dbraw/zinc/82/93/38/1128829338.db2.gz WLPKQALDWRDFFT-DJJJIMSYSA-N 0 1 289.382 3.653 20 0 CHADMN CC[C@@H](C)CN[C@@H](c1nccs1)c1ccccc1 ZINC000119409892 1119211212 /nfs/dbraw/zinc/21/12/12/1119211212.db2.gz UTYJRXUGXSIEDA-TZMCWYRMSA-N 0 1 260.406 3.868 20 0 CHADMN CCc1ccc(CN2CCC(F)(c3cccnc3)CC2)o1 ZINC000342866380 1119218963 /nfs/dbraw/zinc/21/89/63/1119218963.db2.gz ZOCSLZFSCMLRDM-UHFFFAOYSA-N 0 1 288.366 3.698 20 0 CHADMN CSCC(C)(C)NCc1nc(Cl)ccc1Cl ZINC000934665725 1119223601 /nfs/dbraw/zinc/22/36/01/1119223601.db2.gz AAFGQYXONUWSBF-UHFFFAOYSA-N 0 1 279.236 3.620 20 0 CHADMN CCN(Cc1ccoc1)[C@@H](C)c1cccc(OC)c1 ZINC000079756559 1119228534 /nfs/dbraw/zinc/22/85/34/1119228534.db2.gz YTWJKADZUVFHGY-ZDUSSCGKSA-N 0 1 259.349 3.871 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000153442155 1119229888 /nfs/dbraw/zinc/22/98/88/1119229888.db2.gz VIHSCUFWZWISNA-CYBMUJFWSA-N 0 1 299.418 3.949 20 0 CHADMN Cc1ccc(CNCc2c(C3CC3)cnn2C)cc1Cl ZINC000657662903 1119230154 /nfs/dbraw/zinc/23/01/54/1119230154.db2.gz DJQQUTNJWHONNK-UHFFFAOYSA-N 0 1 289.810 3.549 20 0 CHADMN Brc1cnc(CNCCCC2CCC2)s1 ZINC000657665667 1119232696 /nfs/dbraw/zinc/23/26/96/1119232696.db2.gz GAOLQTVNFMSBHQ-UHFFFAOYSA-N 0 1 289.242 3.576 20 0 CHADMN CC(C)(C)c1cc(Nc2cn(CC3CC3)cn2)ccn1 ZINC001213164533 1119239134 /nfs/dbraw/zinc/23/91/34/1119239134.db2.gz TVKOTGZNARGHLW-UHFFFAOYSA-N 0 1 270.380 3.729 20 0 CHADMN C[C@]1(CNCc2c(F)c(F)cc(F)c2F)CCCS1 ZINC000628227678 1128831660 /nfs/dbraw/zinc/83/16/60/1128831660.db2.gz OEHRMIOEUMHYRE-CYBMUJFWSA-N 0 1 293.329 3.618 20 0 CHADMN CCOc1cccc(CN[C@H]2c3cc(C)ccc3C[C@@H]2C)n1 ZINC000657697893 1119255813 /nfs/dbraw/zinc/25/58/13/1119255813.db2.gz WWROPNFMIZQZBM-IFXJQAMLSA-N 0 1 296.414 3.812 20 0 CHADMN C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc2c(c1)ncn2C ZINC000342938239 1119256181 /nfs/dbraw/zinc/25/61/81/1119256181.db2.gz KURCYNYIRKAKBJ-CQSZACIVSA-N 0 1 291.398 3.520 20 0 CHADMN Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CCCF ZINC000121996047 1119272297 /nfs/dbraw/zinc/27/22/97/1119272297.db2.gz QPPCVQVWCFOVKB-UHFFFAOYSA-N 0 1 289.398 3.589 20 0 CHADMN CCc1nnc(CN2CCC[C@H]2c2c(C)cccc2C)o1 ZINC000661133374 1119273145 /nfs/dbraw/zinc/27/31/45/1119273145.db2.gz HCCRCJUWBOHZCY-AWEZNQCLSA-N 0 1 285.391 3.586 20 0 CHADMN CC[C@H](C)[N@@H+](Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC000387391388 1128834104 /nfs/dbraw/zinc/83/41/04/1128834104.db2.gz OZTLQSDIVCMBGH-HNNXBMFYSA-N 0 1 279.387 3.754 20 0 CHADMN Cc1nc2ccccn2c1CN(Cc1ccccc1)C1CC1 ZINC000349817316 1119279436 /nfs/dbraw/zinc/27/94/36/1119279436.db2.gz VGUTUIJOTOEILN-UHFFFAOYSA-N 0 1 291.398 3.807 20 0 CHADMN Clc1cccc(CN[C@@H]2CCCc3cccnc32)c1 ZINC000091661544 1119280061 /nfs/dbraw/zinc/28/00/61/1119280061.db2.gz FYAUQONXZVFAOP-OAHLLOKOSA-N 0 1 272.779 3.902 20 0 CHADMN CC1(C)[C@H](C(F)(F)F)CCN1Cc1cnc(C2CC2)o1 ZINC000628247743 1128834709 /nfs/dbraw/zinc/83/47/09/1128834709.db2.gz OOHYNFNHXMMUKL-LLVKDONJSA-N 0 1 288.313 3.715 20 0 CHADMN Cc1ccc(C[N@H+](Cc2cccc(O)c2)CC2CC2)cn1 ZINC000153807774 1119289526 /nfs/dbraw/zinc/28/95/26/1119289526.db2.gz YGJNZODNOOYNPW-UHFFFAOYSA-N 0 1 282.387 3.508 20 0 CHADMN Cc1nc(C)c(CN[C@H]2CCCc3sccc32)o1 ZINC000385618207 1119299619 /nfs/dbraw/zinc/29/96/19/1119299619.db2.gz PMPGGLRGOYXVMH-LBPRGKRZSA-N 0 1 262.378 3.520 20 0 CHADMN Cc1cnc([C@H](C)NCc2c(C)cccc2C)s1 ZINC000123949425 1119306247 /nfs/dbraw/zinc/30/62/47/1119306247.db2.gz IATVXDHGOQJOII-ZDUSSCGKSA-N 0 1 260.406 3.919 20 0 CHADMN CCN(CCC(F)(F)F)Cc1ccc(C)s1 ZINC000092737691 1119346842 /nfs/dbraw/zinc/34/68/42/1119346842.db2.gz LJJGXHGAGUCYQZ-UHFFFAOYSA-N 0 1 251.317 3.831 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N(C)C[C@@H]1CCCO1 ZINC000154637740 1119315629 /nfs/dbraw/zinc/31/56/29/1119315629.db2.gz SSMGCIWYFSJAOO-WFASDCNBSA-N 0 1 269.335 3.527 20 0 CHADMN CCN(Cc1cc(C)ncn1)[C@@H](C)c1ccc(F)cc1 ZINC000428471997 1119318485 /nfs/dbraw/zinc/31/84/85/1119318485.db2.gz DHQGWHRNSQETDV-ZDUSSCGKSA-N 0 1 273.355 3.507 20 0 CHADMN Cc1cc(C)cc([C@H](C)NCc2cccnc2N(C)C)c1 ZINC000154711421 1119318752 /nfs/dbraw/zinc/31/87/52/1119318752.db2.gz OYCYRVMSFGHUGH-HNNXBMFYSA-N 0 1 283.419 3.615 20 0 CHADMN C[C@@H](NCc1cccnc1N(C)C)c1cccc(Cl)c1 ZINC000154767837 1119318856 /nfs/dbraw/zinc/31/88/56/1119318856.db2.gz JLVXVOOVVUNIKG-GFCCVEGCSA-N 0 1 289.810 3.652 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1c(O)cccc1F ZINC000124778031 1119320768 /nfs/dbraw/zinc/32/07/68/1119320768.db2.gz DAGSESIXFNEUGF-JSGCOSHPSA-N 0 1 299.345 3.550 20 0 CHADMN Cc1ncc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)o1 ZINC000628264153 1128838316 /nfs/dbraw/zinc/83/83/16/1128838316.db2.gz BKWXZIBUSGWBGK-GFCCVEGCSA-N 0 1 288.313 3.538 20 0 CHADMN CCc1nn(C)cc1CNC(C)(C)c1cccc(Cl)c1 ZINC000092395899 1119336536 /nfs/dbraw/zinc/33/65/36/1119336536.db2.gz MFEQVDIPILQQIK-UHFFFAOYSA-N 0 1 291.826 3.661 20 0 CHADMN CCc1ccc([C@H]2CCCN(Cc3nc(C)c[nH]3)C2)cc1 ZINC000628275468 1128840056 /nfs/dbraw/zinc/84/00/56/1128840056.db2.gz OKOLAYOFIAIGSU-KRWDZBQOSA-N 0 1 283.419 3.660 20 0 CHADMN CCCCCC[C@@H](CC)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161692644 1119353472 /nfs/dbraw/zinc/35/34/72/1119353472.db2.gz PWBDEQPXADDBCS-DZGCQCFKSA-N 0 1 293.455 3.762 20 0 CHADMN CC(C)(C)c1csc(CN2CC[C@@H]3CCC[C@H]32)n1 ZINC000426475709 1119354347 /nfs/dbraw/zinc/35/43/47/1119354347.db2.gz ZGZLYYJCXDLRMP-NWDGAFQWSA-N 0 1 264.438 3.815 20 0 CHADMN CCCCN(C)CC(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000301492805 1119355202 /nfs/dbraw/zinc/35/52/02/1119355202.db2.gz QVQOQGBJRVFIMN-CQSZACIVSA-N 0 1 276.424 3.871 20 0 CHADMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccc(C2CCCCC2)cc1 ZINC000098145134 1119361878 /nfs/dbraw/zinc/36/18/78/1119361878.db2.gz JDMWKTDXBGJWEV-KRWDZBQOSA-N 0 1 287.403 3.783 20 0 CHADMN CO[C@@H](CNCc1csc(C(C)(C)C)n1)C1CCCC1 ZINC000657765827 1119369744 /nfs/dbraw/zinc/36/97/44/1119369744.db2.gz FFYLCLUBUQEEBC-AWEZNQCLSA-N 0 1 296.480 3.735 20 0 CHADMN Cc1ccc(NC(=O)Cc2n[nH]c3ccccc32)c(Cl)c1 ZINC000128305095 1119377191 /nfs/dbraw/zinc/37/71/91/1119377191.db2.gz STDSZMCWIBDGCX-UHFFFAOYSA-N 0 1 299.761 3.706 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCCCCC(=O)[O-] ZINC000583569664 1119378272 /nfs/dbraw/zinc/37/82/72/1119378272.db2.gz IOVUBWGVVBMMLH-HOCLYGCPSA-N 0 1 275.392 3.509 20 0 CHADMN Clc1cc(CN2CCC[C@H]2C2CC2)cc(Cl)n1 ZINC000728571058 1119379967 /nfs/dbraw/zinc/37/99/67/1119379967.db2.gz AFIIXVPYTZSTMP-NSHDSACASA-N 0 1 271.191 3.763 20 0 CHADMN Cc1ncc(CNC[C@@H](C)Oc2ccc(C(C)C)cc2)o1 ZINC000628276485 1128842004 /nfs/dbraw/zinc/84/20/04/1128842004.db2.gz FJHWLAYKCLBMCP-CYBMUJFWSA-N 0 1 288.391 3.664 20 0 CHADMN COc1cccc(C2(NCc3ccccc3OC)CCC2)c1 ZINC000657783359 1119395933 /nfs/dbraw/zinc/39/59/33/1119395933.db2.gz UZYQDQZDMJPSDC-UHFFFAOYSA-N 0 1 297.398 3.873 20 0 CHADMN COc1cccc(C2(NCc3ccc(C)o3)CCC2)c1 ZINC000657783746 1119397478 /nfs/dbraw/zinc/39/74/78/1119397478.db2.gz WFTSTNXENVYYSV-UHFFFAOYSA-N 0 1 271.360 3.766 20 0 CHADMN C[C@@H](NCc1ccc(OC(F)F)cc1)c1ccc(F)cn1 ZINC000147620356 1119405799 /nfs/dbraw/zinc/40/57/99/1119405799.db2.gz MVMWZGMZHYQEQN-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN CCCC1CCC([N@@H+](C)Cc2ccc(C(=O)[O-])o2)CC1 ZINC000724896358 1119410873 /nfs/dbraw/zinc/41/08/73/1119410873.db2.gz UYNNERMEGFQWAE-UHFFFAOYSA-N 0 1 279.380 3.769 20 0 CHADMN CCc1cc(NS(=O)(=O)c2cc(C)oc2C)ccc1C ZINC000349939536 1119417203 /nfs/dbraw/zinc/41/72/03/1119417203.db2.gz SFGXLMVVKZTBCH-UHFFFAOYSA-N 0 1 293.388 3.568 20 0 CHADMN C[C@@H](NCC[C@H]1CCc2ccccc2N1)c1cscn1 ZINC000650759541 1119419435 /nfs/dbraw/zinc/41/94/35/1119419435.db2.gz LPZDMTXPRRARDB-TZMCWYRMSA-N 0 1 287.432 3.611 20 0 CHADMN CCOc1ncccc1CN[C@@H](C)c1cccc(C)c1C ZINC000151181402 1119426737 /nfs/dbraw/zinc/42/67/37/1119426737.db2.gz BTLRSKNNYZALPZ-HNNXBMFYSA-N 0 1 284.403 3.948 20 0 CHADMN Cc1cnc(CN2CCCC[C@@H]2CCC(C)C)o1 ZINC000158130789 1119433413 /nfs/dbraw/zinc/43/34/13/1119433413.db2.gz RTXCZFUSDCNACW-CQSZACIVSA-N 0 1 250.386 3.774 20 0 CHADMN CCCCc1noc([C@H](C)N2CCCC3(CC3)CC2)n1 ZINC000626113806 1119435283 /nfs/dbraw/zinc/43/52/83/1119435283.db2.gz HDSBAWVGVPJVJT-ZDUSSCGKSA-N 0 1 277.412 3.739 20 0 CHADMN CCOc1ncccc1CN[C@H]1C[C@@H](C)c2ccccc21 ZINC000343517111 1119439245 /nfs/dbraw/zinc/43/92/45/1119439245.db2.gz RLAREBVQKMRTLJ-DYVFJYSZSA-N 0 1 282.387 3.818 20 0 CHADMN CC1CCC(N(C)Cc2cccnc2Cl)CC1 ZINC000052709457 1119440814 /nfs/dbraw/zinc/44/08/14/1119440814.db2.gz VXDDKVNSECMVMX-UHFFFAOYSA-N 0 1 252.789 3.746 20 0 CHADMN Cn1cccc1C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000132210889 1119444655 /nfs/dbraw/zinc/44/46/55/1119444655.db2.gz FFEBAQANMCXOKA-UHFFFAOYSA-N 0 1 258.365 3.563 20 0 CHADMN CCCCOC1CCN(Cc2cn(C(C)C)nc2C)CC1 ZINC000343534904 1119446920 /nfs/dbraw/zinc/44/69/20/1119446920.db2.gz ODRYZKGCKBQRMZ-UHFFFAOYSA-N 0 1 293.455 3.554 20 0 CHADMN CCOc1cccc(CN(C)[C@@H]2CCc3ccccc32)n1 ZINC000349969178 1119449299 /nfs/dbraw/zinc/44/92/99/1119449299.db2.gz WCQMQWAREGDNHL-QGZVFWFLSA-N 0 1 282.387 3.600 20 0 CHADMN Cc1nn(C(C)C)cc1CN1Cc2ccccc2C[C@@H]1C ZINC000343553701 1119451559 /nfs/dbraw/zinc/45/15/59/1119451559.db2.gz PXGXPGHLYXVCIB-AWEZNQCLSA-N 0 1 283.419 3.719 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(C(F)F)nc1)c1ccccn1 ZINC000657818517 1119457932 /nfs/dbraw/zinc/45/79/32/1119457932.db2.gz UIPCTOYVZGJGHZ-WDEREUQCSA-N 0 1 277.318 3.826 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N1CCC[C@@H]1C1CCCCC1 ZINC000343587568 1119464380 /nfs/dbraw/zinc/46/43/80/1119464380.db2.gz RLACJHHVAJWOIS-QGZVFWFLSA-N 0 1 297.402 3.748 20 0 CHADMN CN(C/C=C/c1ccc(F)cc1F)Cc1ccco1 ZINC000349978844 1119464473 /nfs/dbraw/zinc/46/44/73/1119464473.db2.gz VEKNKBODXNKBGW-DUXPYHPUSA-N 0 1 263.287 3.703 20 0 CHADMN CCSCC[C@@H](C)[N@@H+](C)Cc1cn(C(C)C)nc1C ZINC000343600021 1119466699 /nfs/dbraw/zinc/46/66/99/1119466699.db2.gz LNOGLVWPOBDVLA-CYBMUJFWSA-N 0 1 283.485 3.736 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@@]12C[C@@H]1CCC2 ZINC000518751791 1119470277 /nfs/dbraw/zinc/47/02/77/1119470277.db2.gz GTBNALWUCATRGN-SGTLLEGYSA-N 0 1 295.386 3.959 20 0 CHADMN O=C(C[C@H]1CCCN1C/C=C\Cl)c1ccc(F)cc1 ZINC000255089219 1119472609 /nfs/dbraw/zinc/47/26/09/1119472609.db2.gz HBRNMDOJZSBODE-UCEWNTHNSA-N 0 1 281.758 3.615 20 0 CHADMN Cc1ccnc(NCc2cnc(C3CC3)o2)c1C1CC1 ZINC000628337351 1128848424 /nfs/dbraw/zinc/84/84/24/1128848424.db2.gz CVODFCUTKKAHQW-UHFFFAOYSA-N 0 1 269.348 3.745 20 0 CHADMN CC1(C)C[C@@H]1NCc1csc(-c2cccs2)n1 ZINC000343622532 1119473696 /nfs/dbraw/zinc/47/36/96/1119473696.db2.gz LOEVIOZKHVYOOF-NSHDSACASA-N 0 1 264.419 3.760 20 0 CHADMN CCCC(=O)Nc1ccc(CN[C@H](C)c2ccco2)cc1 ZINC000158913393 1119476619 /nfs/dbraw/zinc/47/66/19/1119476619.db2.gz XQANJAWHWISDSJ-CYBMUJFWSA-N 0 1 286.375 3.869 20 0 CHADMN Cc1occc1CNCc1ccc(Br)c(F)c1 ZINC000343640441 1119478243 /nfs/dbraw/zinc/47/82/43/1119478243.db2.gz NAGCPAISHYKKKQ-UHFFFAOYSA-N 0 1 298.155 3.779 20 0 CHADMN Cc1ccc(-c2ccc(C[N@H+](CC(=O)[O-])CC3CC3)o2)cc1 ZINC000650797296 1119479616 /nfs/dbraw/zinc/47/96/16/1119479616.db2.gz QRLUZSNKIVNHLM-UHFFFAOYSA-N 0 1 299.370 3.552 20 0 CHADMN CCCCOc1ccc(Nc2ccncc2)cc1F ZINC001211610365 1119480138 /nfs/dbraw/zinc/48/01/38/1119480138.db2.gz RTHQXKOQDVITMX-UHFFFAOYSA-N 0 1 260.312 3.565 20 0 CHADMN C[C@@H]1CSCCN1Cc1cc2cc(F)ccc2o1 ZINC000353516487 1119486686 /nfs/dbraw/zinc/48/66/86/1119486686.db2.gz YVOKUGSURCJZTA-SNVBAGLBSA-N 0 1 265.353 3.509 20 0 CHADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1nccs1 ZINC000135089838 1119493694 /nfs/dbraw/zinc/49/36/94/1119493694.db2.gz UCBQDHVQLJGXAT-DGCLKSJQSA-N 0 1 276.380 3.660 20 0 CHADMN FC(F)(F)[C@H]1CN([C@H]2C=CCCC2)C[C@H]1C(F)(F)F ZINC000076181163 1119497944 /nfs/dbraw/zinc/49/79/44/1119497944.db2.gz YTWDMIOWLSJGJW-LPEHRKFASA-N 0 1 287.247 3.768 20 0 CHADMN CCc1ccc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)o1 ZINC000628390276 1128852688 /nfs/dbraw/zinc/85/26/88/1128852688.db2.gz FYWDXQNEJGLNQE-PHIMTYICSA-N 0 1 257.324 3.565 20 0 CHADMN C[C@@H](C1CCC1)N(C)Cc1nc(C2CC2)cs1 ZINC000343762162 1119510206 /nfs/dbraw/zinc/51/02/06/1119510206.db2.gz KQJNJWQUGHWPRU-JTQLQIEISA-N 0 1 250.411 3.641 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCCC[C@@H]2C(C)C)c1 ZINC000343763084 1119511488 /nfs/dbraw/zinc/51/14/88/1119511488.db2.gz SRFNRKVMJZHMFU-OAHLLOKOSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1cc(CN2C[C@@H]3C[C@H]2C[C@H]3F)cc(C(F)(F)F)c1 ZINC001143454511 1119513963 /nfs/dbraw/zinc/51/39/63/1119513963.db2.gz DEOMIGCSKVCYPW-FPMFFAJLSA-N 0 1 287.300 3.946 20 0 CHADMN Cc1oc(-c2ccccc2)nc1CN1CCC12CCC2 ZINC000081563834 1119516770 /nfs/dbraw/zinc/51/67/70/1119516770.db2.gz ZLDQYXBIZWARLJ-UHFFFAOYSA-N 0 1 268.360 3.778 20 0 CHADMN Cn1c2ccccc2nc1[C@H]1CCCN1[C@H]1C=CCCC1 ZINC000084116716 1119525203 /nfs/dbraw/zinc/52/52/03/1119525203.db2.gz AYUQJPZODJSDMB-WMLDXEAASA-N 0 1 281.403 3.819 20 0 CHADMN Cn1cc2c(n1)CCC[C@H]2NC1(c2ccccc2F)CCC1 ZINC000647332693 1119526285 /nfs/dbraw/zinc/52/62/85/1119526285.db2.gz CKJQCHDSJAEFQE-MRXNPFEDSA-N 0 1 299.393 3.606 20 0 CHADMN c1nnc([C@@H](Nc2ccc3c(c2)CCN3)C2CCCCC2)[nH]1 ZINC000584404745 1119527186 /nfs/dbraw/zinc/52/71/86/1119527186.db2.gz SFRUJMISEALOKG-INIZCTEOSA-N 0 1 297.406 3.506 20 0 CHADMN O=C([O-])c1ccc(F)c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000250897116 1119536024 /nfs/dbraw/zinc/53/60/24/1119536024.db2.gz PUBLOSYKWWIMRN-OCCSQVGLSA-N 0 1 291.366 3.536 20 0 CHADMN COCC[C@H](C)Sc1nc2ccc(Cl)cc2[nH]1 ZINC000088484246 1119538959 /nfs/dbraw/zinc/53/89/59/1119538959.db2.gz HFISVGWFNBDBTJ-QMMMGPOBSA-N 0 1 270.785 3.733 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1cncc(F)c1 ZINC000089552362 1119542224 /nfs/dbraw/zinc/54/22/24/1119542224.db2.gz QPYKRRNCMYJYOB-QLJPJBMISA-N 0 1 274.314 3.698 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccc(F)cc21)c1cncc(F)c1 ZINC000089552361 1119542451 /nfs/dbraw/zinc/54/24/51/1119542451.db2.gz QPYKRRNCMYJYOB-MGPLVRAMSA-N 0 1 274.314 3.698 20 0 CHADMN COC[C@@H](N[C@@H](C)c1csc(C(C)C)n1)C(C)C ZINC000090049371 1119542951 /nfs/dbraw/zinc/54/29/51/1119542951.db2.gz PJVCUWNLFUALEH-NWDGAFQWSA-N 0 1 270.442 3.588 20 0 CHADMN COC[C@H](N[C@@H](C)c1csc(C(C)C)n1)C(C)C ZINC000090049367 1119543217 /nfs/dbraw/zinc/54/32/17/1119543217.db2.gz PJVCUWNLFUALEH-RYUDHWBXSA-N 0 1 270.442 3.588 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H]1CCc3ccccc31)CO2 ZINC000090452216 1119544590 /nfs/dbraw/zinc/54/45/90/1119544590.db2.gz JXLGEADZLLBDIS-IRXDYDNUSA-N 0 1 265.356 3.706 20 0 CHADMN CCc1ccc([C@H](CO)N[C@H](C)c2ccccc2OC)cc1 ZINC000090843735 1119549809 /nfs/dbraw/zinc/54/98/09/1119549809.db2.gz WIGTUYBAAWFFPD-KDOFPFPSSA-N 0 1 299.414 3.642 20 0 CHADMN Cc1ncc(CNC2(c3ccc(F)cc3)CCCC2)o1 ZINC000628211002 1119553978 /nfs/dbraw/zinc/55/39/78/1119553978.db2.gz RXIAWJFFTLKZEQ-UHFFFAOYSA-N 0 1 274.339 3.681 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000091743720 1119558366 /nfs/dbraw/zinc/55/83/66/1119558366.db2.gz FFKKERNSWHTPOB-ZBEGNZNMSA-N 0 1 293.769 3.863 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccoc2C)cc1OC ZINC000092451914 1119562269 /nfs/dbraw/zinc/56/22/69/1119562269.db2.gz BDJRHFOCQHRXKI-UHFFFAOYSA-N 0 1 289.375 3.627 20 0 CHADMN CCn1nc(C)c(CN[C@H](C)c2cc3cnccc3o2)c1C ZINC000657866702 1119563554 /nfs/dbraw/zinc/56/35/54/1119563554.db2.gz BDXIRVNPHCRTSC-GFCCVEGCSA-N 0 1 298.390 3.512 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(F)cn2)ccc1F ZINC000092720976 1119565108 /nfs/dbraw/zinc/56/51/08/1119565108.db2.gz HNAYMJPHWUNBHL-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN CCc1ncc(CN2CCCc3ccccc3C2)s1 ZINC000093085048 1119569883 /nfs/dbraw/zinc/56/98/83/1119569883.db2.gz DXQLRNGZTDYYOS-UHFFFAOYSA-N 0 1 272.417 3.654 20 0 CHADMN CCc1cnc(CN(C)C2CCC(C)CC2)s1 ZINC000093807571 1119571441 /nfs/dbraw/zinc/57/14/41/1119571441.db2.gz NZQWFSXGTCOCJP-UHFFFAOYSA-N 0 1 252.427 3.716 20 0 CHADMN CCc1ncc(CN2C[C@H](C)[C@@H]2c2ccccc2)s1 ZINC000093867406 1119572327 /nfs/dbraw/zinc/57/23/27/1119572327.db2.gz ADYKMJNHPKEQPO-BLLLJJGKSA-N 0 1 272.417 3.899 20 0 CHADMN Cc1ccc2c(c1)CN(CCCOc1ccccc1)C2 ZINC000144429149 1119582440 /nfs/dbraw/zinc/58/24/40/1119582440.db2.gz LPOXDPSTITVOLN-UHFFFAOYSA-N 0 1 267.372 3.780 20 0 CHADMN CSc1ccc(CNc2ccc3nc[nH]c3c2)cc1 ZINC000149629453 1119584394 /nfs/dbraw/zinc/58/43/94/1119584394.db2.gz VJMCERQFLWBOLZ-UHFFFAOYSA-N 0 1 269.373 3.897 20 0 CHADMN COc1cc([C@H](C)NCc2ccc(C)c3ccccc23)on1 ZINC000926576615 1119585555 /nfs/dbraw/zinc/58/55/55/1119585555.db2.gz FEQRIAWHDLOGCA-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN COc1ccc2sc(CN3C[C@@H](C)[C@@H](F)C3)cc2c1 ZINC001236656700 1128856356 /nfs/dbraw/zinc/85/63/56/1128856356.db2.gz VSPQRULJKUTJBX-YGRLFVJLSA-N 0 1 279.380 3.700 20 0 CHADMN CSc1ccc(NC(=O)c2cccc3nc[nH]c32)cc1 ZINC000157860841 1119595702 /nfs/dbraw/zinc/59/57/02/1119595702.db2.gz WERDJCUQRZQKGB-UHFFFAOYSA-N 0 1 283.356 3.537 20 0 CHADMN CCN(Cc1[nH]nc2ccccc21)[C@@H](C)c1cccnc1 ZINC000685469190 1119612716 /nfs/dbraw/zinc/61/27/16/1119612716.db2.gz SMGJEPLVWLUWQU-ZDUSSCGKSA-N 0 1 280.375 3.541 20 0 CHADMN CC(C)=CCC[C@H](C)CC(=O)NCCCc1cn[nH]c1C ZINC000400838529 1119616211 /nfs/dbraw/zinc/61/62/11/1119616211.db2.gz BGOILCHDKHPCBG-AWEZNQCLSA-N 0 1 291.439 3.540 20 0 CHADMN CCOc1ccccc1CN(C)CCOc1cccc(C)c1 ZINC000302876021 1119620247 /nfs/dbraw/zinc/62/02/47/1119620247.db2.gz MNMKDQBSKTZRRI-UHFFFAOYSA-N 0 1 299.414 3.905 20 0 CHADMN CC[C@H]1CC[C@H](C(=O)Nc2ccc3nc[nH]c3c2)CC1 ZINC000511296313 1119620889 /nfs/dbraw/zinc/62/08/89/1119620889.db2.gz ONXZJIAVCBLQIR-HAQNSBGRSA-N 0 1 271.364 3.718 20 0 CHADMN CCCc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000511300398 1119623208 /nfs/dbraw/zinc/62/32/08/1119623208.db2.gz LEJIPJUZIVHVPE-UHFFFAOYSA-N 0 1 279.343 3.768 20 0 CHADMN CN(C)c1ccc(CN(C)Cc2cc3ccccc3o2)cn1 ZINC000131299887 1119629268 /nfs/dbraw/zinc/62/92/68/1119629268.db2.gz SYXUSZJLMQQREY-UHFFFAOYSA-N 0 1 295.386 3.526 20 0 CHADMN Cc1nc(C)c(CN[C@H](C)c2ccc3ncsc3c2)o1 ZINC000685573134 1119632758 /nfs/dbraw/zinc/63/27/58/1119632758.db2.gz HMDNSVKRCVGTAJ-SECBINFHSA-N 0 1 287.388 3.752 20 0 CHADMN CCCN(Cc1oc(C)nc1C)[C@H]1CCCc2cccnc21 ZINC000685573198 1119632908 /nfs/dbraw/zinc/63/29/08/1119632908.db2.gz UQQOLXZHIJDTKW-INIZCTEOSA-N 0 1 299.418 3.976 20 0 CHADMN C[C@H]1CN(CCc2c(F)cccc2Cl)CCC1(F)F ZINC000685591103 1119635884 /nfs/dbraw/zinc/63/58/84/1119635884.db2.gz NMOGKCJQQWFJQH-JTQLQIEISA-N 0 1 291.744 3.999 20 0 CHADMN CC(C)(NC(=O)c1cccc(F)c1O)C1CCCCC1 ZINC001125766665 1119636394 /nfs/dbraw/zinc/63/63/94/1119636394.db2.gz VHWCBHKRVVGKIP-UHFFFAOYSA-N 0 1 279.355 3.620 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1noc2c1CCCC2 ZINC000685612163 1119637908 /nfs/dbraw/zinc/63/79/08/1119637908.db2.gz LBUHNSUUDIOKSZ-GFCCVEGCSA-N 0 1 250.386 3.564 20 0 CHADMN Cc1c[nH]nc1CNCc1cccc(-c2ccc(C)cc2)c1 ZINC000685618581 1119639287 /nfs/dbraw/zinc/63/92/87/1119639287.db2.gz ZNBHUQDZICICGG-UHFFFAOYSA-N 0 1 291.398 3.983 20 0 CHADMN Cc1cncc(CN[C@@H](C)c2ccc(C(F)F)nc2)c1 ZINC000657938052 1119647349 /nfs/dbraw/zinc/64/73/49/1119647349.db2.gz WQNWOMWMKBIFSW-NSHDSACASA-N 0 1 277.318 3.573 20 0 CHADMN Clc1cccc(C2(N[C@@H]3CCCn4nccc43)CC2)c1 ZINC000657949928 1119651166 /nfs/dbraw/zinc/65/11/66/1119651166.db2.gz QMCLCCVARQKGDF-CQSZACIVSA-N 0 1 287.794 3.650 20 0 CHADMN CC(C)[N@H+](Cc1cccc(C(=O)[O-])c1Cl)CC1CC1 ZINC000381459811 1119651985 /nfs/dbraw/zinc/65/19/85/1119651985.db2.gz AIHUXIGSZMFSCZ-UHFFFAOYSA-N 0 1 281.783 3.659 20 0 CHADMN CC1(C)[C@H]2CCC[C@H]2[C@@H]1Nc1cnn(-c2ccncc2)c1 ZINC000657954741 1119652703 /nfs/dbraw/zinc/65/27/03/1119652703.db2.gz BYSPKUFHBJZJMO-PMPSAXMXSA-N 0 1 282.391 3.504 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1cccc(Br)n1 ZINC000309735539 1119658866 /nfs/dbraw/zinc/65/88/66/1119658866.db2.gz GJNUHGSOXNLEES-ZYHUDNBSSA-N 0 1 283.213 3.607 20 0 CHADMN CCSc1cccc(CN[C@@H]2CCCn3nccc32)c1 ZINC000658021971 1119667659 /nfs/dbraw/zinc/66/76/59/1119667659.db2.gz XINFEXVZJSBXJO-OAHLLOKOSA-N 0 1 287.432 3.620 20 0 CHADMN COc1cc(C)c(C)cc1N[C@@H](C)c1cn[nH]c1C ZINC000658112961 1119684081 /nfs/dbraw/zinc/68/40/81/1119684081.db2.gz GCVBSKGCSAUBHU-NSHDSACASA-N 0 1 259.353 3.517 20 0 CHADMN Cc1ccc(C2CCN(Cc3cnc(C4CC4)o3)CC2)cn1 ZINC000628237008 1119686483 /nfs/dbraw/zinc/68/64/83/1119686483.db2.gz YFKOVMCLMLWMEM-UHFFFAOYSA-N 0 1 297.402 3.635 20 0 CHADMN OC/C=C/CN[C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000658134697 1119686988 /nfs/dbraw/zinc/68/69/88/1119686988.db2.gz RKUZABJHQXJBPF-GPYPMJJRSA-N 0 1 292.231 3.570 20 0 CHADMN CC[C@H](C)CCN[C@H](c1nccn1C)c1cccc(F)c1 ZINC000658120557 1119687728 /nfs/dbraw/zinc/68/77/28/1119687728.db2.gz KUCHAQGBXJGAPS-BBRMVZONSA-N 0 1 289.398 3.674 20 0 CHADMN COc1cccc(OC)c1CN[C@H]1c2ccccc2C[C@H]1C ZINC000658118454 1119687782 /nfs/dbraw/zinc/68/77/82/1119687782.db2.gz FZGSPFVXEZZLLI-BFUOFWGJSA-N 0 1 297.398 3.727 20 0 CHADMN COc1cccc(OC)c1CN[C@H](C)c1ccc(C)cc1 ZINC000658122921 1119688417 /nfs/dbraw/zinc/68/84/17/1119688417.db2.gz XVLYOBJUYDHICN-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc(Cl)sc1Cl)C1(CO)CC1 ZINC000658159844 1119693116 /nfs/dbraw/zinc/69/31/16/1119693116.db2.gz LDTQWUFCHJRLFH-JGVFFNPUSA-N 0 1 294.247 3.867 20 0 CHADMN CC[C@@H](NCc1cc(COC)cs1)c1ccc(F)cn1 ZINC000658209485 1119702837 /nfs/dbraw/zinc/70/28/37/1119702837.db2.gz FURLFEIFTNESDX-CQSZACIVSA-N 0 1 294.395 3.670 20 0 CHADMN Cc1c([C@H](C)N[C@H]2CCc3ccc(O)cc32)cnn1C(C)C ZINC000658239113 1119710211 /nfs/dbraw/zinc/71/02/11/1119710211.db2.gz UIPOXPOCIQAZLF-SGTLLEGYSA-N 0 1 299.418 3.816 20 0 CHADMN Cc1c([C@@H](C)N[C@H]2CCc3ccc(O)cc32)cnn1C(C)C ZINC000658239115 1119710457 /nfs/dbraw/zinc/71/04/57/1119710457.db2.gz UIPOXPOCIQAZLF-XIKOKIGWSA-N 0 1 299.418 3.816 20 0 CHADMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCCCCCC1 ZINC000077689720 1128863897 /nfs/dbraw/zinc/86/38/97/1128863897.db2.gz NTUYCMYREFKWHQ-UHFFFAOYSA-N 0 1 289.404 3.545 20 0 CHADMN Cc1noc([C@H](N[C@H](C)CCc2ccccc2)C(C)C)n1 ZINC000168046648 1119714517 /nfs/dbraw/zinc/71/45/17/1119714517.db2.gz BTGVBQNXVCVHEQ-CZUORRHYSA-N 0 1 287.407 3.686 20 0 CHADMN c1nc(C2CC2)c(CNc2cc3c(cn2)CCC3)s1 ZINC000339552586 1119714981 /nfs/dbraw/zinc/71/49/81/1119714981.db2.gz DALNCQJCZVBGBN-UHFFFAOYSA-N 0 1 271.389 3.516 20 0 CHADMN COc1cccc([C@@H](C)NCc2c(C3CCC3)cnn2C)c1 ZINC000658268367 1119715836 /nfs/dbraw/zinc/71/58/36/1119715836.db2.gz HMBYQRLAVFCTOX-CYBMUJFWSA-N 0 1 299.418 3.547 20 0 CHADMN CC(C)[C@@H](O)[C@@H](N[C@@H](C)c1ccoc1)c1ccccc1 ZINC000658288691 1119718880 /nfs/dbraw/zinc/71/88/80/1119718880.db2.gz QTQJQHCEVDBBSU-RRQGHBQHSA-N 0 1 273.376 3.688 20 0 CHADMN CO[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000658330908 1119721722 /nfs/dbraw/zinc/72/17/22/1119721722.db2.gz KUYTUJHGLJCSGH-XWIAVFTESA-N 0 1 298.386 3.702 20 0 CHADMN C[C@H](N[C@@H](C)c1nccn1C)c1cc2c(s1)CCCC2 ZINC000658335734 1119726728 /nfs/dbraw/zinc/72/67/28/1119726728.db2.gz FUHDNKYKZOFYHB-RYUDHWBXSA-N 0 1 289.448 3.772 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H]1CCCc2c(C)cccc21 ZINC000658337859 1119727685 /nfs/dbraw/zinc/72/76/85/1119727685.db2.gz AMDJWFDKVAMIFT-PBHICJAKSA-N 0 1 283.419 3.940 20 0 CHADMN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000658332258 1119728145 /nfs/dbraw/zinc/72/81/45/1119728145.db2.gz PZVBVGSRABVOMD-PEYYIBSZSA-N 0 1 288.416 3.638 20 0 CHADMN CC(C)(C)C(F)(F)CNC1CCC2(CCCO2)CC1 ZINC000658339318 1119728325 /nfs/dbraw/zinc/72/83/25/1119728325.db2.gz QOZPDLSMCVGYOK-UHFFFAOYSA-N 0 1 275.383 3.749 20 0 CHADMN CC(C)[C@@H]1C[C@@H](N[C@@H](C)c2nccn2C)c2ccccc21 ZINC000658339436 1119728371 /nfs/dbraw/zinc/72/83/71/1119728371.db2.gz SCFBVKOBUYVORJ-RRQGHBQHSA-N 0 1 283.419 3.955 20 0 CHADMN Fc1cc(Br)ccc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000148100564 1119732408 /nfs/dbraw/zinc/73/24/08/1119732408.db2.gz BGCODGVRIGGKRE-PHIMTYICSA-N 0 1 298.199 3.820 20 0 CHADMN Cc1cccc([C@@H](N[C@@H]2CC23CC3)c2ccccn2)c1 ZINC000926616858 1119733557 /nfs/dbraw/zinc/73/35/57/1119733557.db2.gz VFOICFUCDLGXPJ-IAGOWNOFSA-N 0 1 264.372 3.622 20 0 CHADMN COc1ccc(CN2CC(Cc3cccs3)C2)cc1F ZINC000628478513 1128865510 /nfs/dbraw/zinc/86/55/10/1128865510.db2.gz GGEKWZCDGXWWND-UHFFFAOYSA-N 0 1 291.391 3.570 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)c1ccnnc1 ZINC000924530558 1119739933 /nfs/dbraw/zinc/73/99/33/1119739933.db2.gz ICJIBKAKGSQGEE-WDEREUQCSA-N 0 1 295.308 3.907 20 0 CHADMN Fc1ccc(-c2cnc(CN3C4CCC3CC4)o2)cc1 ZINC000635904706 1119745407 /nfs/dbraw/zinc/74/54/07/1119745407.db2.gz VEZFBLVOQJHEHS-UHFFFAOYSA-N 0 1 272.323 3.608 20 0 CHADMN COc1ccc(CN[C@H](c2ccc(F)cc2)C(C)C)o1 ZINC000892468432 1119747953 /nfs/dbraw/zinc/74/79/53/1119747953.db2.gz TWVMPQYIYSBSFP-INIZCTEOSA-N 0 1 277.339 3.914 20 0 CHADMN CSc1ccc([C@H](C)NCc2ccns2)cc1 ZINC000404402996 1119752705 /nfs/dbraw/zinc/75/27/05/1119752705.db2.gz ASNSYLMIRGEMBO-JTQLQIEISA-N 0 1 264.419 3.716 20 0 CHADMN Cc1nc(CN2CC[C@H](c3cc(C)cc(C)c3)C2)[nH]c1C ZINC000628237154 1119757556 /nfs/dbraw/zinc/75/75/56/1119757556.db2.gz CWXUUSPQCQZRRR-INIZCTEOSA-N 0 1 283.419 3.633 20 0 CHADMN Cc1c[nH]c(CN2CC[C@H](C)C3(CCCCC3)C2)n1 ZINC000628239050 1119759369 /nfs/dbraw/zinc/75/93/69/1119759369.db2.gz AJQDIVQKNNQGOJ-ZDUSSCGKSA-N 0 1 261.413 3.510 20 0 CHADMN Cc1nn(C)c(CN[C@@H](c2ccccc2)C(C)C)c1Cl ZINC000892481131 1119767690 /nfs/dbraw/zinc/76/76/90/1119767690.db2.gz JJXVRFXEQTZIEJ-MRXNPFEDSA-N 0 1 291.826 3.869 20 0 CHADMN CC(C)Cc1ccc(CN[C@H](C)c2cccnc2)cn1 ZINC000892480880 1119768459 /nfs/dbraw/zinc/76/84/59/1119768459.db2.gz HNPYAELUWXBSDD-CQSZACIVSA-N 0 1 269.392 3.526 20 0 CHADMN CCC(C)(C)c1ccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000584474618 1119777060 /nfs/dbraw/zinc/77/70/60/1119777060.db2.gz AIFHNFXNQZMTQI-INIZCTEOSA-N 0 1 289.419 3.813 20 0 CHADMN CCCC[C@@H](C)N(CCCC)Cc1nc(C2CC2)nn1C ZINC000569966209 1119787320 /nfs/dbraw/zinc/78/73/20/1119787320.db2.gz LAYLJOYGHBCHLO-CQSZACIVSA-N 0 1 292.471 3.873 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NCC1(C)CCCCC1 ZINC000343823866 1119788256 /nfs/dbraw/zinc/78/82/56/1119788256.db2.gz CTPKOPKEUPBQQP-UHFFFAOYSA-N 0 1 277.412 3.542 20 0 CHADMN C/C=C\C[C@@H]1CCCN(Cc2nccn2C(C)C)C1 ZINC000626162223 1119794087 /nfs/dbraw/zinc/79/40/87/1119794087.db2.gz QREYYXUSUVGNIF-FOSCPCJNSA-N 0 1 261.413 3.642 20 0 CHADMN C[C@@H](NC1CSC1)c1cccc(Cl)c1Cl ZINC000308985198 1119796504 /nfs/dbraw/zinc/79/65/04/1119796504.db2.gz JLEUIGRWIZFHLT-SSDOTTSWSA-N 0 1 262.205 3.759 20 0 CHADMN Cc1cc(CN2CCC(c3cc4ccccc4[nH]3)CC2)no1 ZINC000065966752 1119796588 /nfs/dbraw/zinc/79/65/88/1119796588.db2.gz LTOWYMHVLOUNFF-UHFFFAOYSA-N 0 1 295.386 3.844 20 0 CHADMN CC[C@H]1CCCC[C@H]1CNCc1nccc(C(F)F)n1 ZINC000628281909 1119802295 /nfs/dbraw/zinc/80/22/95/1119802295.db2.gz FRHXUKUWFORGJW-RYUDHWBXSA-N 0 1 283.366 3.720 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1cc(F)c(F)cc1F ZINC000570248774 1119813646 /nfs/dbraw/zinc/81/36/46/1119813646.db2.gz QPAXSVCBTXEIEG-JTQLQIEISA-N 0 1 277.355 3.677 20 0 CHADMN Cc1ccc([C@H](N[C@H]2C=CCC2)c2cccnc2)cc1 ZINC000926691682 1119816429 /nfs/dbraw/zinc/81/64/29/1119816429.db2.gz UQWQMBREBXAIIG-ROUUACIJSA-N 0 1 264.372 3.788 20 0 CHADMN C[C@H](NCCCSc1ccccc1)c1ncco1 ZINC000924556042 1119820732 /nfs/dbraw/zinc/82/07/32/1119820732.db2.gz BYWUAQNOSGLQQM-LBPRGKRZSA-N 0 1 262.378 3.508 20 0 CHADMN Cc1cc(CN(C)C[C@H](C)C2CCCCC2)no1 ZINC000570413735 1119829336 /nfs/dbraw/zinc/82/93/36/1119829336.db2.gz GRUWKWCEPZYYLE-LBPRGKRZSA-N 0 1 250.386 3.631 20 0 CHADMN CC(C)[C@H]1N(Cc2ccncc2Cl)CC12CC=CC2 ZINC000628322941 1119830530 /nfs/dbraw/zinc/83/05/30/1119830530.db2.gz SYPNYENHZXTHER-OAHLLOKOSA-N 0 1 276.811 3.912 20 0 CHADMN CC[N@@H+](Cc1ccsc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000628324852 1119833236 /nfs/dbraw/zinc/83/32/36/1119833236.db2.gz LTIWDROXJROAFJ-LLVKDONJSA-N 0 1 293.354 3.768 20 0 CHADMN CCN(Cc1ccsc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000628324852 1119833239 /nfs/dbraw/zinc/83/32/39/1119833239.db2.gz LTIWDROXJROAFJ-LLVKDONJSA-N 0 1 293.354 3.768 20 0 CHADMN CCC[N@@H+](Cc1ccc(Br)c([O-])c1)CC1CC1 ZINC001236693069 1128872199 /nfs/dbraw/zinc/87/21/99/1128872199.db2.gz WCJJHLAASXMZOO-UHFFFAOYSA-N 0 1 298.224 3.777 20 0 CHADMN CCC[N@H+](Cc1ccc(Br)c([O-])c1)CC1CC1 ZINC001236693069 1128872203 /nfs/dbraw/zinc/87/22/03/1128872203.db2.gz WCJJHLAASXMZOO-UHFFFAOYSA-N 0 1 298.224 3.777 20 0 CHADMN Cc1ccc(-c2noc([C@H]3CCC[N@@H+]3C(C)C)n2)cc1 ZINC000923763847 1119841465 /nfs/dbraw/zinc/84/14/65/1119841465.db2.gz CWJJFSFYFWLWSN-CQSZACIVSA-N 0 1 271.364 3.590 20 0 CHADMN Cc1ccc(-c2noc([C@H]3CCCN3C(C)C)n2)cc1 ZINC000923763847 1119841469 /nfs/dbraw/zinc/84/14/69/1119841469.db2.gz CWJJFSFYFWLWSN-CQSZACIVSA-N 0 1 271.364 3.590 20 0 CHADMN COc1ccc2cc(CNCc3ccc(C)cn3)ccc2c1 ZINC000133699901 1119845971 /nfs/dbraw/zinc/84/59/71/1119845971.db2.gz APRLDAUSQYXUSQ-UHFFFAOYSA-N 0 1 292.382 3.842 20 0 CHADMN C[C@H](N[C@H]1CCOc2ccccc21)c1cc(O)cc(F)c1 ZINC000924563324 1119850490 /nfs/dbraw/zinc/85/04/90/1119850490.db2.gz JUCDRDLOZUQBOT-ZBEGNZNMSA-N 0 1 287.334 3.706 20 0 CHADMN Cc1cn[nH]c1CN1CC2(CCCC2)c2c1cccc2F ZINC000685843046 1119862528 /nfs/dbraw/zinc/86/25/28/1119862528.db2.gz WAXRBGRBDBFDBR-UHFFFAOYSA-N 0 1 285.366 3.689 20 0 CHADMN Cc1cn[nH]c1CN(Cc1ccccc1Cl)CC1CC1 ZINC000685847887 1119867220 /nfs/dbraw/zinc/86/72/20/1119867220.db2.gz VXVTZHRAMJRJBL-UHFFFAOYSA-N 0 1 289.810 3.784 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2ccc(Br)c(O)c2)C1 ZINC001236695988 1128874150 /nfs/dbraw/zinc/87/41/50/1128874150.db2.gz RBRFGOFQVVOQGT-PHIMTYICSA-N 0 1 298.224 3.633 20 0 CHADMN Cc1cn[nH]c1CN1CCCSc2ccc(Cl)cc21 ZINC000685848861 1119867797 /nfs/dbraw/zinc/86/77/97/1119867797.db2.gz GDVOUIYZBPPRDM-UHFFFAOYSA-N 0 1 293.823 3.874 20 0 CHADMN c1sc(-c2ccccn2)nc1CNCC1=CCCCC1 ZINC000295168006 1119868238 /nfs/dbraw/zinc/86/82/38/1119868238.db2.gz TVHYVZMUHMICKA-UHFFFAOYSA-N 0 1 285.416 3.795 20 0 CHADMN CC(C)(C)C(F)(F)CNC1CC2(C1)COC(C)(C)C2 ZINC000926728299 1119871138 /nfs/dbraw/zinc/87/11/38/1119871138.db2.gz RVTFLLOPERKPBG-UHFFFAOYSA-N 0 1 275.383 3.605 20 0 CHADMN C[C@H](N[C@H](c1ccc(F)cc1)C(C)(C)C)c1ccn(C)n1 ZINC000414081006 1119887884 /nfs/dbraw/zinc/88/78/84/1119887884.db2.gz UDARUZOBLRSIGR-BLLLJJGKSA-N 0 1 289.398 3.997 20 0 CHADMN Cc1cc([C@H](N[C@@H](C)c2ccn(C)n2)C2CC2)ccc1F ZINC000414099011 1119898360 /nfs/dbraw/zinc/89/83/60/1119898360.db2.gz KHAUNNVNPZFPFY-YVEFUNNKSA-N 0 1 287.382 3.670 20 0 CHADMN C[C@@H](c1ccccc1F)N1CCN(c2ccccc2)CC1 ZINC000613314163 1119901796 /nfs/dbraw/zinc/90/17/96/1119901796.db2.gz BBUYHNFTHOTWJG-HNNXBMFYSA-N 0 1 284.378 3.709 20 0 CHADMN C[C@@H](N[C@H]1CCCOC1)c1csc(-c2ccccc2)n1 ZINC000414111983 1119903335 /nfs/dbraw/zinc/90/33/35/1119903335.db2.gz JNCURTKGRZTHEQ-OCCSQVGLSA-N 0 1 288.416 3.640 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H]2CCC(F)(F)C2)c(C)s1 ZINC000310358929 1119911479 /nfs/dbraw/zinc/91/14/79/1119911479.db2.gz SUEFWXKKLTZUHT-GMSGAONNSA-N 0 1 260.353 3.598 20 0 CHADMN Cc1cnc(CN(C[C@@H]2CCCO2)C2CCC(C)CC2)o1 ZINC000173864205 1119917317 /nfs/dbraw/zinc/91/73/17/1119917317.db2.gz CNLTZKJNIRJKTR-BCLQGDPASA-N 0 1 292.423 3.543 20 0 CHADMN Cc1cc2nc(-c3cnn(C(C)(C)C)c3)[nH]c2cc1F ZINC000414149697 1119918062 /nfs/dbraw/zinc/91/80/62/1119918062.db2.gz TWXQWIJVTYEEAB-UHFFFAOYSA-N 0 1 272.327 3.629 20 0 CHADMN CCCCc1noc(CN2CC[C@H](C)[C@@H]3CCCC[C@H]32)n1 ZINC000613415293 1119919125 /nfs/dbraw/zinc/91/91/25/1119919125.db2.gz CWSCSMUVEOVEQS-SOUVJXGZSA-N 0 1 291.439 3.813 20 0 CHADMN Cc1ccc(CN[C@H](c2cccnc2)C2CCC2)nc1C ZINC000414160706 1119922406 /nfs/dbraw/zinc/92/24/06/1119922406.db2.gz DJGAWMXFDKRQHY-SFHVURJKSA-N 0 1 281.403 3.724 20 0 CHADMN O=C(CCc1ccccc1)Nc1cc(Cl)c(O)cc1F ZINC000170207809 1119927718 /nfs/dbraw/zinc/92/77/18/1119927718.db2.gz IYYWTZJIZVSMMI-UHFFFAOYSA-N 0 1 293.725 3.756 20 0 CHADMN Cc1ncc(CN[C@H]2C[C@@H](C(C)C)c3ccccc32)o1 ZINC000414177829 1119927982 /nfs/dbraw/zinc/92/79/82/1119927982.db2.gz JHRUWJDKPSYTBK-IRXDYDNUSA-N 0 1 270.376 3.957 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccn(C)n1)c1cccc(C)c1 ZINC000414183870 1119929301 /nfs/dbraw/zinc/92/93/01/1119929301.db2.gz NZDGRVHJZYKSRE-DZGCQCFKSA-N 0 1 257.381 3.530 20 0 CHADMN CC[C@H](CCc1ccccc1)N[C@@H](C)c1ncco1 ZINC000926749887 1119936247 /nfs/dbraw/zinc/93/62/47/1119936247.db2.gz DGCIAIXLOOIJGV-DZGCQCFKSA-N 0 1 258.365 3.737 20 0 CHADMN Fc1cccc(CN2CC[C@H](Nc3ccccc3)C2)c1F ZINC000170688790 1119941835 /nfs/dbraw/zinc/94/18/35/1119941835.db2.gz KNYKYROGRZUHNM-HNNXBMFYSA-N 0 1 288.341 3.651 20 0 CHADMN CC[C@H]1CCC[C@@H](NCc2nccc(C(F)(F)F)n2)C1 ZINC000414240541 1119952609 /nfs/dbraw/zinc/95/26/09/1119952609.db2.gz MBANRQZYMOBGSR-WDEREUQCSA-N 0 1 287.329 3.554 20 0 CHADMN C[C@H](NCc1cnccc1C(C)(C)C)c1cccnc1 ZINC000414238187 1119952895 /nfs/dbraw/zinc/95/28/95/1119952895.db2.gz XFHUTSZNFPKHNE-ZDUSSCGKSA-N 0 1 269.392 3.625 20 0 CHADMN CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)nc1 ZINC000083595929 1119962068 /nfs/dbraw/zinc/96/20/68/1119962068.db2.gz LUFSKDDTZNOZNM-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN CCOc1ccc(CN(C)[C@@H](C)c2ccc(F)cc2)nc1 ZINC000083595929 1119962072 /nfs/dbraw/zinc/96/20/72/1119962072.db2.gz LUFSKDDTZNOZNM-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN CCOc1ccc(C[N@@H+](C)[C@H]2CCc3ccccc32)nc1 ZINC000083596060 1119962241 /nfs/dbraw/zinc/96/22/41/1119962241.db2.gz AJSMSMODZLCZPL-SFHVURJKSA-N 0 1 282.387 3.600 20 0 CHADMN CCOc1cccc(CNCc2cc(O)cc(Cl)c2)c1 ZINC000892592214 1119963711 /nfs/dbraw/zinc/96/37/11/1119963711.db2.gz OWTJSACJRNLNGI-UHFFFAOYSA-N 0 1 291.778 3.734 20 0 CHADMN CCC[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccccn1 ZINC000414289437 1119968122 /nfs/dbraw/zinc/96/81/22/1119968122.db2.gz RQALRXRIRKUIEA-UMVBOHGHSA-N 0 1 250.361 3.793 20 0 CHADMN C[C@H](CCC1CCCC1)N[C@@H](C)c1csnn1 ZINC000414296177 1119970116 /nfs/dbraw/zinc/97/01/16/1119970116.db2.gz GAAMNDCGGSEEKX-MNOVXSKESA-N 0 1 253.415 3.548 20 0 CHADMN Cc1noc(C)c1CNCc1ccc(C(F)(F)F)c(C)c1 ZINC000414308415 1119975728 /nfs/dbraw/zinc/97/57/28/1119975728.db2.gz PYLJDKGOWTYGMH-UHFFFAOYSA-N 0 1 298.308 3.908 20 0 CHADMN C[C@@H]1CCC[C@@H](N(C)Cc2csc(Cl)n2)C1 ZINC000309397390 1119981355 /nfs/dbraw/zinc/98/13/55/1119981355.db2.gz GOIXCGABIMBFFV-MWLCHTKSSA-N 0 1 258.818 3.807 20 0 CHADMN c1ccc([C@H]2CC[C@H](NCc3nnc(C4CC4)s3)C2)cc1 ZINC000414322572 1119982520 /nfs/dbraw/zinc/98/25/20/1119982520.db2.gz HDSWXACNOFWBIT-GJZGRUSLSA-N 0 1 299.443 3.841 20 0 CHADMN C[C@H](NCc1nnc(C2CC2)s1)[C@@H]1C[C@H]1c1ccccc1 ZINC000414336330 1119987499 /nfs/dbraw/zinc/98/74/99/1119987499.db2.gz YYURHRTUXOGJQD-CQDKDKBSSA-N 0 1 299.443 3.697 20 0 CHADMN CCN(c1ccc(NCc2cccc(OC)n2)cc1)C(C)C ZINC000190814048 1128882634 /nfs/dbraw/zinc/88/26/34/1128882634.db2.gz XDKVRGKMSIOFAM-UHFFFAOYSA-N 0 1 299.418 3.937 20 0 CHADMN Fc1cc2c(c(F)c1F)[C@@H](N[C@@H]1C[C@H]1c1ccco1)CC2 ZINC000414347333 1119993908 /nfs/dbraw/zinc/99/39/08/1119993908.db2.gz NCAIXCXSOMKJSW-ADEWGFFLSA-N 0 1 293.288 3.830 20 0 CHADMN Cc1ccc(CN[C@H](c2ncccc2C)C(C)C)nc1 ZINC000134328874 1119994029 /nfs/dbraw/zinc/99/40/29/1119994029.db2.gz CIYBDHWUAKIUDS-INIZCTEOSA-N 0 1 269.392 3.580 20 0 CHADMN Cc1ccc(CN[C@H](CC(C)C)c2ccccc2C)nn1 ZINC000414352691 1119995258 /nfs/dbraw/zinc/99/52/58/1119995258.db2.gz QENCGBZAQHIDCG-GOSISDBHSA-N 0 1 283.419 3.970 20 0 CHADMN Cc1cc(N2CCC3(CC3)C2)c2cc(F)ccc2n1 ZINC000685918863 1119998264 /nfs/dbraw/zinc/99/82/64/1119998264.db2.gz RWPWRJNLCXUPLU-UHFFFAOYSA-N 0 1 256.324 3.673 20 0 CHADMN CCCCCn1cc(CNCc2ccoc2C)c(C)n1 ZINC000414371378 1120003981 /nfs/dbraw/zinc/00/39/81/1120003981.db2.gz YCZUVPSEEHFEAJ-UHFFFAOYSA-N 0 1 275.396 3.573 20 0 CHADMN CC(C)c1ccc(OCCNCc2nccn2C2CC2)cc1 ZINC000892646064 1120006364 /nfs/dbraw/zinc/00/63/64/1120006364.db2.gz QWSHHBMEBAKOOY-UHFFFAOYSA-N 0 1 299.418 3.510 20 0 CHADMN Cc1cc2nccn2cc1NCc1nccc2ccccc21 ZINC001167703051 1120010279 /nfs/dbraw/zinc/01/02/79/1120010279.db2.gz QAWNMSNGRUFCEJ-UHFFFAOYSA-N 0 1 288.354 3.803 20 0 CHADMN CC[C@H](C)N(C)Cc1coc(-c2cccc(F)c2)n1 ZINC000115540862 1120036653 /nfs/dbraw/zinc/03/66/53/1120036653.db2.gz UPHXIKNDXRRDJP-NSHDSACASA-N 0 1 262.328 3.711 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CNCc1ccc(F)c(F)c1 ZINC000892673291 1120042040 /nfs/dbraw/zinc/04/20/40/1120042040.db2.gz IQFFVNDBVRATRT-UHFFFAOYSA-N 0 1 293.361 3.649 20 0 CHADMN CCN(Cc1c(F)cccc1F)CC1(COC)CCC1 ZINC000361282544 1120053958 /nfs/dbraw/zinc/05/39/58/1120053958.db2.gz UTKRUDBCGAONTF-UHFFFAOYSA-N 0 1 283.362 3.603 20 0 CHADMN C(=C/c1ccccc1)\CN1CCOc2ccccc2C1 ZINC000613564977 1120062638 /nfs/dbraw/zinc/06/26/38/1120062638.db2.gz MGUURJNOJNBJHO-RMKNXTFCSA-N 0 1 265.356 3.594 20 0 CHADMN CC(C)SCCNCc1ccnc(Cl)c1Cl ZINC000291670909 1120075190 /nfs/dbraw/zinc/07/51/90/1120075190.db2.gz WHYJJFNFNKWHDB-UHFFFAOYSA-N 0 1 279.236 3.620 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000091780937 1120076396 /nfs/dbraw/zinc/07/63/96/1120076396.db2.gz CDCCQUCJNMYPFH-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN COCCN(Cc1ccncc1C)Cc1ccc(C)cc1C ZINC000648359732 1120082677 /nfs/dbraw/zinc/08/26/77/1120082677.db2.gz BYIBBSWNOJPZBS-UHFFFAOYSA-N 0 1 298.430 3.655 20 0 CHADMN CC(C)[C@@H](C)CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000188050164 1120082934 /nfs/dbraw/zinc/08/29/34/1120082934.db2.gz OKDRIRWSAIJFLI-SWLSCSKDSA-N 0 1 275.371 3.520 20 0 CHADMN COC(C)(C)[C@H](C)N[C@H](C)c1csc(C(C)C)n1 ZINC000903329322 1120083311 /nfs/dbraw/zinc/08/33/11/1120083311.db2.gz BQJGYOBSKPADKR-MNOVXSKESA-N 0 1 270.442 3.731 20 0 CHADMN Fc1ccc(CN(Cc2cnn3ccccc23)C2CC2)cc1 ZINC000178867089 1120086225 /nfs/dbraw/zinc/08/62/25/1120086225.db2.gz NUSJOKMOBLKCBX-UHFFFAOYSA-N 0 1 295.361 3.638 20 0 CHADMN CN(C(=O)c1c(O)cccc1F)C(C)(C)c1ccccc1 ZINC000671891751 1120087182 /nfs/dbraw/zinc/08/71/82/1120087182.db2.gz GEIGCXCCRYYTAZ-UHFFFAOYSA-N 0 1 287.334 3.539 20 0 CHADMN c1cc2cccc(CNCc3cc4n(n3)CCCC4)c2s1 ZINC000655800064 1120092188 /nfs/dbraw/zinc/09/21/88/1120092188.db2.gz WVVKFNNGDHBVJJ-UHFFFAOYSA-N 0 1 297.427 3.724 20 0 CHADMN CCC[C@H]1CCCCN1Cc1cnn(C)c1C(F)(F)F ZINC000179521622 1120093034 /nfs/dbraw/zinc/09/30/34/1120093034.db2.gz BPMJHCUHPZVJIJ-LBPRGKRZSA-N 0 1 289.345 3.594 20 0 CHADMN CCC1CCC(N(C)C(=O)c2cc(C(C)C)[nH]n2)CC1 ZINC000613594664 1120093989 /nfs/dbraw/zinc/09/39/89/1120093989.db2.gz DGAKPVLVBDDQCH-UHFFFAOYSA-N 0 1 277.412 3.574 20 0 CHADMN CC(C)(C)C[C@H](O)CN[C@H](c1ccccc1)c1ccccn1 ZINC000180566474 1120100220 /nfs/dbraw/zinc/10/02/20/1120100220.db2.gz PUXXXAXHAZJSFO-FUHWJXTLSA-N 0 1 298.430 3.558 20 0 CHADMN CC[C@@H](C)[N@@H+](CCCCC(=O)[O-])Cc1ccccc1 ZINC000181539953 1120104655 /nfs/dbraw/zinc/10/46/55/1120104655.db2.gz YPEMDUGWZCBKJH-CQSZACIVSA-N 0 1 263.381 3.542 20 0 CHADMN CCC[C@H](NCc1ccnn1C1CCC1)c1ccccn1 ZINC000921683952 1120107785 /nfs/dbraw/zinc/10/77/85/1120107785.db2.gz NGFFMZWSODKVHK-INIZCTEOSA-N 0 1 284.407 3.634 20 0 CHADMN COc1ccc(F)cc1CN[C@H](C)c1ccccc1C ZINC000181753692 1120108198 /nfs/dbraw/zinc/10/81/98/1120108198.db2.gz VPVQAEHQEPXLAH-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN CCCc1ccc(CNc2ccnc(NC(=O)CC)c2)cc1 ZINC001168635313 1120110721 /nfs/dbraw/zinc/11/07/21/1120110721.db2.gz GFUDJRKBMXFBML-UHFFFAOYSA-N 0 1 297.402 3.995 20 0 CHADMN CC[C@H](C)O[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001204630091 1120111958 /nfs/dbraw/zinc/11/19/58/1120111958.db2.gz OWVWMAOEBRQYCR-WFASDCNBSA-N 0 1 267.800 3.729 20 0 CHADMN CCCc1ccc(CNc2cc(C)c3nc[nH]c3n2)cc1 ZINC001168635443 1120112175 /nfs/dbraw/zinc/11/21/75/1120112175.db2.gz NNUINFZLVQWHBL-UHFFFAOYSA-N 0 1 280.375 3.831 20 0 CHADMN Cc1cccc(C(C)(C)NCc2nn(C)c3ccccc23)c1 ZINC000605594853 1120112346 /nfs/dbraw/zinc/11/23/46/1120112346.db2.gz AOYLPCXQAWMGAE-UHFFFAOYSA-N 0 1 293.414 3.907 20 0 CHADMN Cc1ccccc1[C@H](C)[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000659800371 1120113086 /nfs/dbraw/zinc/11/30/86/1120113086.db2.gz YQTPQHJCYPCHAM-MPGHIAIKSA-N 0 1 287.403 3.633 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000659800893 1120113560 /nfs/dbraw/zinc/11/35/60/1120113560.db2.gz CQKLTSVQCJDTNM-WCQYABFASA-N 0 1 277.364 3.551 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000659800965 1120113668 /nfs/dbraw/zinc/11/36/68/1120113668.db2.gz BZCFJAQHFDVQOR-UGFHNGPFSA-N 0 1 295.810 3.834 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000659803830 1120114409 /nfs/dbraw/zinc/11/44/09/1120114409.db2.gz OWTMEKFEDSMFMT-CYBMUJFWSA-N 0 1 277.364 3.523 20 0 CHADMN COc1cccc(SCCN(C)Cc2ccco2)c1 ZINC000659816629 1120115658 /nfs/dbraw/zinc/11/56/58/1120115658.db2.gz STGJNACAVSAQLR-UHFFFAOYSA-N 0 1 277.389 3.512 20 0 CHADMN CO[C@@H](CN(C)Cc1nc2ccccc2s1)C1CCC1 ZINC000659829757 1120122694 /nfs/dbraw/zinc/12/26/94/1120122694.db2.gz BISIFNFDCFGWSO-AWEZNQCLSA-N 0 1 290.432 3.543 20 0 CHADMN C[C@@H]1SCCN(C/C=C\c2ccc(F)cc2F)[C@H]1C ZINC000542702720 1120123007 /nfs/dbraw/zinc/12/30/07/1120123007.db2.gz RAQNKNQLTMWDFG-WGPFEIJOSA-N 0 1 283.387 3.804 20 0 CHADMN Cc1cc2cc[nH]c2c(N[C@H]2CCNc3ccccc32)n1 ZINC001168639988 1120126808 /nfs/dbraw/zinc/12/68/08/1120126808.db2.gz VCLBEMDORJNPSC-HNNXBMFYSA-N 0 1 278.359 3.840 20 0 CHADMN COc1ccc(CNCc2cccs2)c(Cl)c1OC ZINC000110820117 1120127964 /nfs/dbraw/zinc/12/79/64/1120127964.db2.gz MVUZBLPDWHHYDJ-UHFFFAOYSA-N 0 1 297.807 3.709 20 0 CHADMN CCOc1ccc(F)c(F)c1CN1CCCC1(C)C ZINC001143485643 1120129680 /nfs/dbraw/zinc/12/96/80/1120129680.db2.gz FMHMBEDSOJSHNF-UHFFFAOYSA-N 0 1 269.335 3.738 20 0 CHADMN CC[C@H](CN[C@@H](C)c1ncc[nH]1)Oc1ccccc1Cl ZINC000353519325 1120134184 /nfs/dbraw/zinc/13/41/84/1120134184.db2.gz MVKWYFWCAXMWSQ-NWDGAFQWSA-N 0 1 293.798 3.571 20 0 CHADMN Cc1nnc([C@H](C)N[C@H](C)C23CC4CC(CC(C4)C2)C3)o1 ZINC000183641832 1120138387 /nfs/dbraw/zinc/13/83/87/1120138387.db2.gz HCULHIJYTYTXLU-UQBAYUNRSA-N 0 1 289.423 3.634 20 0 CHADMN CCOC(=O)CCN[C@@H](C)c1cccc(Cl)c1Cl ZINC000183761166 1120140996 /nfs/dbraw/zinc/14/09/96/1120140996.db2.gz KUDNGMOCVUDKHG-VIFPVBQESA-N 0 1 290.190 3.597 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226419588 1120141481 /nfs/dbraw/zinc/14/14/81/1120141481.db2.gz YPUOIYDNIMNRQK-WFASDCNBSA-N 0 1 295.810 3.978 20 0 CHADMN Fc1cccc(F)c1C1(NCCc2cncs2)CCC1 ZINC000626178723 1120144500 /nfs/dbraw/zinc/14/45/00/1120144500.db2.gz FYYHCHFRKKLLOP-UHFFFAOYSA-N 0 1 294.370 3.633 20 0 CHADMN Cc1ccc(F)c(CN[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000378967854 1120151117 /nfs/dbraw/zinc/15/11/17/1120151117.db2.gz WPWYNXNCVORDHX-NSHDSACASA-N 0 1 299.349 3.567 20 0 CHADMN CCc1cc(O)ccc1NC(=O)c1cc(Cl)ccc1O ZINC000191040153 1128899371 /nfs/dbraw/zinc/89/93/71/1128899371.db2.gz RNENDKJOSKVMJC-UHFFFAOYSA-N 0 1 291.734 3.566 20 0 CHADMN CC(C)(C)CCCCNCc1nnc(C2CC2)s1 ZINC000892917934 1120161166 /nfs/dbraw/zinc/16/11/66/1120161166.db2.gz SKWRWRAPZDFKCF-UHFFFAOYSA-N 0 1 267.442 3.722 20 0 CHADMN CCOc1ccc(F)c(F)c1CN1CCC[C@@H]1CC ZINC001143495154 1120165330 /nfs/dbraw/zinc/16/53/30/1120165330.db2.gz DZMJNWPZSGSAOO-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN CCC(CC)[C@@H](NCc1cn(C)cn1)c1ccccc1 ZINC000312567857 1120168015 /nfs/dbraw/zinc/16/80/15/1120168015.db2.gz UKUFFSCOMPKPQE-QGZVFWFLSA-N 0 1 271.408 3.687 20 0 CHADMN COc1ccc(-c2cc3[nH]cnc3c(C)c2)c(C)c1 ZINC001239826108 1120169873 /nfs/dbraw/zinc/16/98/73/1120169873.db2.gz MRKLXEHGQWUIAV-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1nc(-c2ccc(F)cc2)no1 ZINC000108863942 1120172616 /nfs/dbraw/zinc/17/26/16/1120172616.db2.gz QIQASMVPOVXWOC-RYUDHWBXSA-N 0 1 289.354 3.639 20 0 CHADMN CC(C)C[C@@H](NCc1nnc2ccccn21)c1ccccc1 ZINC000314144481 1120172882 /nfs/dbraw/zinc/17/28/82/1120172882.db2.gz ULWKKAAWROFYNU-MRXNPFEDSA-N 0 1 294.402 3.606 20 0 CHADMN Cc1nn(C)c(CN[C@H](C)c2cccc(C)c2C)c1Cl ZINC000892949067 1120176217 /nfs/dbraw/zinc/17/62/17/1120176217.db2.gz JZDFVTJIUHIJMX-GFCCVEGCSA-N 0 1 291.826 3.850 20 0 CHADMN FCCN1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000783031765 1120177076 /nfs/dbraw/zinc/17/70/76/1120177076.db2.gz SPGKDIOGDBLJDR-SBDDDAINSA-N 0 1 253.386 3.975 20 0 CHADMN FCCN1CCCCC[C@H]1/C=C/c1cccs1 ZINC000783031758 1120177247 /nfs/dbraw/zinc/17/72/47/1120177247.db2.gz SPGKDIOGDBLJDR-GWJCSSMESA-N 0 1 253.386 3.975 20 0 CHADMN Cc1nccc(N2CCOc3cc(F)ccc3C2)c1Cl ZINC000624766743 1120178161 /nfs/dbraw/zinc/17/81/61/1120178161.db2.gz CEPGHMBCNFBNRS-UHFFFAOYSA-N 0 1 292.741 3.582 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NCc1cccc(C(F)(F)F)c1 ZINC000112837434 1120186713 /nfs/dbraw/zinc/18/67/13/1120186713.db2.gz DHVUCRXXTWKOLX-SNVBAGLBSA-N 0 1 297.324 3.598 20 0 CHADMN COc1cc(CN(C)[C@H](C)c2ccc(C)cc2C)sn1 ZINC000659854241 1120195111 /nfs/dbraw/zinc/19/51/11/1120195111.db2.gz YUJOJQMYTMSXQP-CYBMUJFWSA-N 0 1 290.432 3.962 20 0 CHADMN Cc1cccnc1[C@H](NCc1ccnn1C1CCC1)C(C)C ZINC000921746114 1120195385 /nfs/dbraw/zinc/19/53/85/1120195385.db2.gz WJONQJYJWIOPPT-QGZVFWFLSA-N 0 1 298.434 3.798 20 0 CHADMN CCC[C@H](CC1CCCC1)C(=O)N1CCN(C(C)C)CC1 ZINC000499431695 1120195399 /nfs/dbraw/zinc/19/53/99/1120195399.db2.gz LVPHTIOOBIMMRY-QGZVFWFLSA-N 0 1 294.483 3.536 20 0 CHADMN Clc1ccc(Cl)c(CN2CC[C@]3(CCOC3)C2)c1 ZINC000176294533 1120197380 /nfs/dbraw/zinc/19/73/80/1120197380.db2.gz YESULWCSRNWBEH-AWEZNQCLSA-N 0 1 286.202 3.606 20 0 CHADMN CC(C)CN(C)Cc1ncc(Br)cc1Cl ZINC000659857024 1120198408 /nfs/dbraw/zinc/19/84/08/1120198408.db2.gz JBLFHSUFIDOYQU-UHFFFAOYSA-N 0 1 291.620 3.585 20 0 CHADMN CC(C)[C@H](NCc1cnn(CC2CCC2)c1)c1ccccn1 ZINC000921760988 1120199953 /nfs/dbraw/zinc/19/99/53/1120199953.db2.gz LJDJNVFYRBNNBQ-SFHVURJKSA-N 0 1 298.434 3.565 20 0 CHADMN C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000060479218 1120200074 /nfs/dbraw/zinc/20/00/74/1120200074.db2.gz YXBZMFZZVJOHPX-VXGBXAGGSA-N 0 1 291.345 3.629 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000060479218 1120200077 /nfs/dbraw/zinc/20/00/77/1120200077.db2.gz YXBZMFZZVJOHPX-VXGBXAGGSA-N 0 1 291.345 3.629 20 0 CHADMN CN(CCSc1ccc(F)cc1)Cc1ccco1 ZINC000072803183 1120202001 /nfs/dbraw/zinc/20/20/01/1120202001.db2.gz CHJPZTJMTROAOY-UHFFFAOYSA-N 0 1 265.353 3.643 20 0 CHADMN COc1cnccc1[C@H](C)NCc1ccc(Cl)cc1 ZINC000189570974 1120205907 /nfs/dbraw/zinc/20/59/07/1120205907.db2.gz YPECQQXXXPJQOF-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN Fc1cccc(C2(NCc3cnn(C4CCC4)c3)CC2)c1 ZINC000921768689 1120206362 /nfs/dbraw/zinc/20/63/62/1120206362.db2.gz LBBDGLHVVRFADY-UHFFFAOYSA-N 0 1 285.366 3.526 20 0 CHADMN CCOc1cccc(CN[C@@H](COC)c2ccccc2)c1 ZINC000113355539 1120208028 /nfs/dbraw/zinc/20/80/28/1120208028.db2.gz ZZUMJYXNACRDFZ-SFHVURJKSA-N 0 1 285.387 3.563 20 0 CHADMN Cc1ccnc(CN[C@H](C)c2ccc(C)c(F)c2)c1 ZINC000394211292 1120215687 /nfs/dbraw/zinc/21/56/87/1120215687.db2.gz INASDPBNHYCWFB-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN O=C(c1c(O)cccc1F)N1CC[C@@H](C2CCCCC2)C1 ZINC000618186569 1128899206 /nfs/dbraw/zinc/89/92/06/1128899206.db2.gz OLLLCWHDCBDOQW-CYBMUJFWSA-N 0 1 291.366 3.574 20 0 CHADMN Clc1cccc2c1C[C@H](NCc1nc3ccccc3o1)C2 ZINC001168675519 1120227394 /nfs/dbraw/zinc/22/73/94/1120227394.db2.gz FJEPLLITDZLGQT-GFCCVEGCSA-N 0 1 298.773 3.738 20 0 CHADMN CCOc1ccccc1[C@H](CC)NCc1cncs1 ZINC000136003243 1120227447 /nfs/dbraw/zinc/22/74/47/1120227447.db2.gz CMHDHZBHDFBCFJ-AWEZNQCLSA-N 0 1 276.405 3.783 20 0 CHADMN CC=CC=CC(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000178629715 1120233041 /nfs/dbraw/zinc/23/30/41/1120233041.db2.gz IBZWXTYNJTVFLI-MQQKCMAXSA-N 0 1 295.264 3.653 20 0 CHADMN COc1ncccc1CN[C@@H]1CCC(C)(C)c2ccccc21 ZINC000314544305 1120233298 /nfs/dbraw/zinc/23/32/98/1120233298.db2.gz JLJHGMRDAFOYSP-QGZVFWFLSA-N 0 1 296.414 3.993 20 0 CHADMN CC[C@@H](Cc1nc([C@H](N)C(C)C)no1)c1ccc(C)cc1 ZINC000843148924 1120246427 /nfs/dbraw/zinc/24/64/27/1120246427.db2.gz FUZDKICBGKIKPW-XJKSGUPXSA-N 0 1 287.407 3.770 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@@H](c2ccccc2)C(C)C)n1 ZINC000843148168 1120251295 /nfs/dbraw/zinc/25/12/95/1120251295.db2.gz NRANKJCLGJYSHO-ZIAGYGMSSA-N 0 1 273.380 3.513 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCCC[C@H](C)C2)n1 ZINC000187942598 1120251467 /nfs/dbraw/zinc/25/14/67/1120251467.db2.gz AQWRMOLNSTWXIF-QWHCGFSZSA-N 0 1 265.401 3.595 20 0 CHADMN COCc1cnc(CN2CCC[C@H]2CC2CCCC2)s1 ZINC000656277686 1120253651 /nfs/dbraw/zinc/25/36/51/1120253651.db2.gz AKWWBLKLZDCJRU-AWEZNQCLSA-N 0 1 294.464 3.834 20 0 CHADMN CC(C)[C@H](N)c1noc(C(C)(C)c2ccccc2Cl)n1 ZINC000843150844 1120255091 /nfs/dbraw/zinc/25/50/91/1120255091.db2.gz VWXLCJFWANSEFS-LBPRGKRZSA-N 0 1 293.798 3.705 20 0 CHADMN Fc1ccc(C2(NC/C=C/Cl)CCC2)c(F)c1 ZINC000179993226 1120260779 /nfs/dbraw/zinc/26/07/79/1120260779.db2.gz YUTOBXXWRLSZOH-FARCUNLSSA-N 0 1 257.711 3.686 20 0 CHADMN CC(C)[C@@H](N)c1noc(CSc2ccccc2Cl)n1 ZINC000843153383 1120262629 /nfs/dbraw/zinc/26/26/29/1120262629.db2.gz UVKPVHWIDVSGHX-GFCCVEGCSA-N 0 1 297.811 3.671 20 0 CHADMN CCCC[C@@H]1CCC[C@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC000075708671 1120265027 /nfs/dbraw/zinc/26/50/27/1120265027.db2.gz VQIXQVIITYKEJC-UKRRQHHQSA-N 0 1 299.418 3.581 20 0 CHADMN CC[C@H](SCCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000542937136 1120267043 /nfs/dbraw/zinc/26/70/43/1120267043.db2.gz YJZJAVOWCMNXMB-BBWFWOEESA-N 0 1 291.460 3.734 20 0 CHADMN Cc1cccc(C)c1CCNCc1nnc(C(C)C)s1 ZINC000893171632 1120274718 /nfs/dbraw/zinc/27/47/18/1120274718.db2.gz PCKSSHSAUFRTJU-UHFFFAOYSA-N 0 1 289.448 3.611 20 0 CHADMN CC(C)C(NCc1noc(C2CCCCC2)n1)C(C)C ZINC000678899871 1120284601 /nfs/dbraw/zinc/28/46/01/1120284601.db2.gz SROKAXYEFSXPMH-UHFFFAOYSA-N 0 1 279.428 3.888 20 0 CHADMN CCC(CC)[C@H](NCc1cc(OC)no1)c1ccccc1 ZINC000660183016 1128904784 /nfs/dbraw/zinc/90/47/84/1128904784.db2.gz AQHPWZUJSJESRQ-KRWDZBQOSA-N 0 1 288.391 3.950 20 0 CHADMN CCN(C)[C@H](C(=O)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000107353521 1120291018 /nfs/dbraw/zinc/29/10/18/1120291018.db2.gz MYKLMGQJDKGEDD-QAPCUYQASA-N 0 1 296.414 3.557 20 0 CHADMN Fc1ccccc1C1(NCC2=Cc3ccccc3OC2)CC1 ZINC000076766773 1120295448 /nfs/dbraw/zinc/29/54/48/1120295448.db2.gz CMUYYYCVMFHEKT-UHFFFAOYSA-N 0 1 295.357 3.880 20 0 CHADMN Cc1nc(CN(C)[C@@H](C)Cc2ccc(C)cc2)c(C)o1 ZINC000659942446 1120299778 /nfs/dbraw/zinc/29/97/78/1120299778.db2.gz BEFYGHUZBCVDRV-ZDUSSCGKSA-N 0 1 272.392 3.663 20 0 CHADMN CN(Cc1csc2ccccc12)Cc1cccnc1 ZINC000339142807 1120299786 /nfs/dbraw/zinc/29/97/86/1120299786.db2.gz VHGDUPWBCLYWEC-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN COc1cccc(CN(C[C@H](C)OC)C(C)C)c1Cl ZINC000659949053 1120304683 /nfs/dbraw/zinc/30/46/83/1120304683.db2.gz RQFKFVKUIOZNRQ-LBPRGKRZSA-N 0 1 285.815 3.594 20 0 CHADMN Cc1ccc(CC(=O)Nc2cccc(Cl)c2O)cc1C ZINC000077012943 1120305869 /nfs/dbraw/zinc/30/58/69/1120305869.db2.gz GENNDWHRUNAEBH-UHFFFAOYSA-N 0 1 289.762 3.844 20 0 CHADMN COc1cc(C)sc1C(=O)Nc1cccc(Cl)c1O ZINC000077010698 1120306137 /nfs/dbraw/zinc/30/61/37/1120306137.db2.gz NUVYJNNZJBDETJ-UHFFFAOYSA-N 0 1 297.763 3.676 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000672486881 1120313514 /nfs/dbraw/zinc/31/35/14/1120313514.db2.gz SJRSXCPAEQKFII-UHFFFAOYSA-N 0 1 291.354 3.891 20 0 CHADMN Cc1cc(CN2CC[C@H](C)[C@@H]2c2cccc(F)c2)nc(C)n1 ZINC000659978462 1120319136 /nfs/dbraw/zinc/31/91/36/1120319136.db2.gz GDFLMVZXLJNDDO-KPZWWZAWSA-N 0 1 299.393 3.816 20 0 CHADMN Cc1csc([C@H](C)CNCc2nc(C(C)(C)C)co2)n1 ZINC000921990148 1120320958 /nfs/dbraw/zinc/32/09/58/1120320958.db2.gz NBORNHQJWCJTRU-SNVBAGLBSA-N 0 1 293.436 3.630 20 0 CHADMN C[C@H](C[N@@H+](C)CCCCCC(=O)[O-])C1CCCCC1 ZINC000629371854 1128908308 /nfs/dbraw/zinc/90/83/08/1128908308.db2.gz NBANWVGCJPHAKE-CQSZACIVSA-N 0 1 269.429 3.780 20 0 CHADMN CN(Cc1noc2c1CCCC2)C1CCC(F)(F)CC1 ZINC000672578150 1120327968 /nfs/dbraw/zinc/32/79/68/1120327968.db2.gz YGBVOFXVDTXIAH-UHFFFAOYSA-N 0 1 284.350 3.563 20 0 CHADMN c1cc2c(s1)CCC[C@H]2NCc1cnn(C2CCC2)c1 ZINC000922003561 1120328451 /nfs/dbraw/zinc/32/84/51/1120328451.db2.gz HOXKLCLLYGANQD-OAHLLOKOSA-N 0 1 287.432 3.837 20 0 CHADMN CCC[C@H](C)CCC[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000629375335 1128908884 /nfs/dbraw/zinc/90/88/84/1128908884.db2.gz DCSAKMBVESZSPX-XQLPTFJDSA-N 0 1 269.429 3.776 20 0 CHADMN CC(C)C[C@H](C)C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000499572588 1120333509 /nfs/dbraw/zinc/33/35/09/1120333509.db2.gz HPZCVMSZKWPXEH-NSHDSACASA-N 0 1 291.361 3.553 20 0 CHADMN CC(C)(C)[C@@H]1CC[C@@H]1Nc1cnn(-c2ccncc2)c1 ZINC000672607200 1120334493 /nfs/dbraw/zinc/33/44/93/1120334493.db2.gz UXLOOAIWUJCJHM-CABCVRRESA-N 0 1 270.380 3.504 20 0 CHADMN CCN(Cc1cccc(SC)c1)Cc1ccccn1 ZINC000659999949 1120335701 /nfs/dbraw/zinc/33/57/01/1120335701.db2.gz JIQUAGDJDYNRPN-UHFFFAOYSA-N 0 1 272.417 3.826 20 0 CHADMN Cc1cc([C@H](C)[N@H+]2CCCC3(CC3)CC2)oc1C(=O)[O-] ZINC000629377493 1128909027 /nfs/dbraw/zinc/90/90/27/1128909027.db2.gz IFFSPNVCARBHFA-LBPRGKRZSA-N 0 1 277.364 3.613 20 0 CHADMN COc1ccc([C@H](C)[C@@H](C)N[C@H]2CCCC2(F)F)cc1 ZINC000672622913 1120337417 /nfs/dbraw/zinc/33/74/17/1120337417.db2.gz YTKYOIZUCAQAKB-JMSVASOKSA-N 0 1 283.362 3.965 20 0 CHADMN CC(C)c1cnc(CN2CC[C@@H](c3ccco3)C2)s1 ZINC000363854729 1120338557 /nfs/dbraw/zinc/33/85/57/1120338557.db2.gz VSSPUCWRYMSJDN-GFCCVEGCSA-N 0 1 276.405 3.849 20 0 CHADMN O=C([O-])[C@H](c1cccc(Cl)c1)[N@H+]1CCCC2(CC2)CC1 ZINC000629378786 1128909296 /nfs/dbraw/zinc/90/92/96/1128909296.db2.gz UFVOODWDAUSTPN-AWEZNQCLSA-N 0 1 293.794 3.732 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000629374583 1128909362 /nfs/dbraw/zinc/90/93/62/1128909362.db2.gz XNDXKDKPHWCLLB-FZKCQIBNSA-N 0 1 281.440 3.778 20 0 CHADMN c1cc2cccc(CNCc3nccc4c3CCCC4)c2[nH]1 ZINC000922041700 1120346548 /nfs/dbraw/zinc/34/65/48/1120346548.db2.gz BEUNQHLXWBBPHW-UHFFFAOYSA-N 0 1 291.398 3.732 20 0 CHADMN COc1cncc(CN[C@@H](C)c2oc3ccccc3c2C)c1 ZINC000343855075 1120350204 /nfs/dbraw/zinc/35/02/04/1120350204.db2.gz VHDBJMGMCXASBL-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN CCc1nocc1CN[C@@]1(C)CCCc2ccccc21 ZINC000660068435 1120360924 /nfs/dbraw/zinc/36/09/24/1120360924.db2.gz IDRAFJVBKDPRTF-KRWDZBQOSA-N 0 1 270.376 3.578 20 0 CHADMN CCN(CCC=C(C)C)CC(=O)Nc1c(C)cccc1C ZINC000660085910 1120369406 /nfs/dbraw/zinc/36/94/06/1120369406.db2.gz ZBDUMIZEZLWPBO-UHFFFAOYSA-N 0 1 288.435 3.920 20 0 CHADMN CN(Cc1ccc(Br)o1)[C@H]1C=CCCC1 ZINC000066494190 1120396360 /nfs/dbraw/zinc/39/63/60/1120396360.db2.gz HATQBSAORUSFQC-JTQLQIEISA-N 0 1 270.170 3.583 20 0 CHADMN C[C@H](NCc1cccc(F)c1F)c1ccc(F)cc1 ZINC000042321097 1120375830 /nfs/dbraw/zinc/37/58/30/1120375830.db2.gz AXFRCOYIDKAFFL-JTQLQIEISA-N 0 1 265.278 3.955 20 0 CHADMN Cc1ccccc1-c1noc(CN2C[C@H](C)C[C@@H](C)C2)n1 ZINC000066406422 1120390266 /nfs/dbraw/zinc/39/02/66/1120390266.db2.gz PCDHYAFPHAZWTN-CHWSQXEVSA-N 0 1 285.391 3.523 20 0 CHADMN CSc1cccc(CN(C)[C@@H](C)c2cccnc2)c1 ZINC000660139752 1120394326 /nfs/dbraw/zinc/39/43/26/1120394326.db2.gz FVNNMCWJGSJEOE-ZDUSSCGKSA-N 0 1 272.417 3.997 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000584590324 1120395224 /nfs/dbraw/zinc/39/52/24/1120395224.db2.gz WWHMDPNOAWPTHQ-ZQIUZPCESA-N 0 1 289.419 3.914 20 0 CHADMN C[C@@H](N[C@H]1CCC[C@@H]1O)c1cc(Cl)sc1Cl ZINC000129892456 1120397321 /nfs/dbraw/zinc/39/73/21/1120397321.db2.gz WMTSZEIIOVGLTN-YEPSODPASA-N 0 1 280.220 3.619 20 0 CHADMN C[C@H](N[C@@H]1CCCCC[C@@H]1C)c1nc(C(C)(C)C)no1 ZINC000681411580 1120401776 /nfs/dbraw/zinc/40/17/76/1120401776.db2.gz HJFOJHRWIWEWFT-RWMBFGLXSA-N 0 1 279.428 3.987 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2nc(-c3ccoc3)no2)CC1 ZINC000114729686 1120401877 /nfs/dbraw/zinc/40/18/77/1120401877.db2.gz KCNHZCCMKFYYCS-CYBMUJFWSA-N 0 1 289.379 3.588 20 0 CHADMN Cc1sccc1CNCc1cc(F)ccc1F ZINC000310171661 1120403957 /nfs/dbraw/zinc/40/39/57/1120403957.db2.gz UCSYYPUQRXSYOH-UHFFFAOYSA-N 0 1 253.317 3.625 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cc(O)cc(Cl)c1 ZINC000893293466 1120405594 /nfs/dbraw/zinc/40/55/94/1120405594.db2.gz VLPSZWXBRDUYQW-LLVKDONJSA-N 0 1 290.794 3.854 20 0 CHADMN CSc1ccc(CNc2ccc3c(c2)nc(C)n3C)o1 ZINC000641742015 1120407720 /nfs/dbraw/zinc/40/77/20/1120407720.db2.gz MASBEXPSKSARDO-UHFFFAOYSA-N 0 1 287.388 3.809 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H](C)c1ccc(C)nc1C ZINC000682143638 1120411453 /nfs/dbraw/zinc/41/14/53/1120411453.db2.gz OVBADUYDJUYWBA-KGLIPLIRSA-N 0 1 285.391 3.514 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H](C)c1ccc(C)nc1C ZINC000682143640 1120411675 /nfs/dbraw/zinc/41/16/75/1120411675.db2.gz OVBADUYDJUYWBA-ZIAGYGMSSA-N 0 1 285.391 3.514 20 0 CHADMN CC[C@H](N[C@H](C)[C@@H]1C[C@H]1c1cccs1)C(F)F ZINC000417347083 1120431336 /nfs/dbraw/zinc/43/13/36/1120431336.db2.gz GJLRAIVSDAUESP-YTWAJWBKSA-N 0 1 259.365 3.873 20 0 CHADMN Clc1sccc1CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000682995880 1120433703 /nfs/dbraw/zinc/43/37/03/1120433703.db2.gz SOLWVRRNBUYFJG-JTQLQIEISA-N 0 1 281.812 3.504 20 0 CHADMN c1ccc2c(c1)COC[C@H]2N[C@H](c1cccnc1)C1CCC1 ZINC000417371141 1120439798 /nfs/dbraw/zinc/43/97/98/1120439798.db2.gz VDNKMHUMCOSWLQ-MOPGFXCFSA-N 0 1 294.398 3.784 20 0 CHADMN Cc1ccc(CCCN2CCn3cccc3[C@@H]2C)cc1 ZINC000543139029 1120441324 /nfs/dbraw/zinc/44/13/24/1120441324.db2.gz QEFJZYMYFAXTNH-INIZCTEOSA-N 0 1 268.404 3.806 20 0 CHADMN CC(C)C[C@@H](C)CC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000067900721 1120456388 /nfs/dbraw/zinc/45/63/88/1120456388.db2.gz ZOKYEAMOWIEIDX-KGLIPLIRSA-N 0 1 296.480 3.539 20 0 CHADMN COc1cc([C@H](C)N[C@@H]2CC[C@H](C)c3ccccc32)on1 ZINC000925611890 1120461493 /nfs/dbraw/zinc/46/14/93/1120461493.db2.gz PRYXHBCICPZACJ-SLEUVZQESA-N 0 1 286.375 3.972 20 0 CHADMN Cl/C=C/CN(CCc1ccccc1)Cc1cccnc1 ZINC000191353205 1128917883 /nfs/dbraw/zinc/91/78/83/1128917883.db2.gz AKDPRYGSDUIOCL-BJMVGYQFSA-N 0 1 286.806 3.879 20 0 CHADMN CCc1nnc([C@@H](C)[N@H+]2CC[C@H](c3cc(C)cc(C)c3)C2)[nH]1 ZINC000660249232 1120464923 /nfs/dbraw/zinc/46/49/23/1120464923.db2.gz OABYAGFBNNSBJX-CABCVRRESA-N 0 1 298.434 3.534 20 0 CHADMN CCc1nnc([C@@H](C)N2CC[C@H](c3cc(C)cc(C)c3)C2)[nH]1 ZINC000660249232 1120464924 /nfs/dbraw/zinc/46/49/24/1120464924.db2.gz OABYAGFBNNSBJX-CABCVRRESA-N 0 1 298.434 3.534 20 0 CHADMN CC[C@@H](NCCOCc1ccccc1)c1nc(C)cs1 ZINC000660252415 1120468007 /nfs/dbraw/zinc/46/80/07/1120468007.db2.gz IIJUPWOTBYCMQD-OAHLLOKOSA-N 0 1 290.432 3.709 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000080413332 1120468163 /nfs/dbraw/zinc/46/81/63/1120468163.db2.gz KVMHQRLJABSCAL-QGZVFWFLSA-N 0 1 297.402 3.819 20 0 CHADMN Cc1ccc([C@H](c2noc(CNCC3CC3)n2)C(C)C)cc1 ZINC000843231310 1120471163 /nfs/dbraw/zinc/47/11/63/1120471163.db2.gz ZHYKQEIFGOOWFT-QGZVFWFLSA-N 0 1 299.418 3.666 20 0 CHADMN CCn1cncc1CN(C)[C@H](C)c1ccc(C)cc1C ZINC000417696105 1120473980 /nfs/dbraw/zinc/47/39/80/1120473980.db2.gz BEGIEUKYESMYOA-OAHLLOKOSA-N 0 1 271.408 3.713 20 0 CHADMN CCn1cncc1CN(C)Cc1cccc2ccccc21 ZINC000417705710 1120475539 /nfs/dbraw/zinc/47/55/39/1120475539.db2.gz SNDWVZRIWNSUMY-UHFFFAOYSA-N 0 1 279.387 3.688 20 0 CHADMN CC[C@@H](NCc1ccnn1C1CCC1)c1ccccc1F ZINC000922222356 1120476432 /nfs/dbraw/zinc/47/64/32/1120476432.db2.gz OTUHHLQPAZUAMV-QGZVFWFLSA-N 0 1 287.382 3.988 20 0 CHADMN CCCn1cc(CN[C@H](C)c2ccc(OCC)cc2)cn1 ZINC000116912709 1120485505 /nfs/dbraw/zinc/48/55/05/1120485505.db2.gz STEWJKHAUPKZSM-CQSZACIVSA-N 0 1 287.407 3.543 20 0 CHADMN CC(C)(C)c1cccc(CN[C@H](CO)c2ccsc2)c1 ZINC000660303924 1120489641 /nfs/dbraw/zinc/48/96/41/1120489641.db2.gz ZKNVUMMAPHWHLF-MRXNPFEDSA-N 0 1 289.444 3.869 20 0 CHADMN COc1cccc(CNCc2cc(C)cnc2Cl)c1C ZINC000922265519 1120489811 /nfs/dbraw/zinc/48/98/11/1120489811.db2.gz FJXZLNLUBWNELV-UHFFFAOYSA-N 0 1 290.794 3.650 20 0 CHADMN c1csc([C@@H]2CSCCN2C[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000660308866 1120490592 /nfs/dbraw/zinc/49/05/92/1120490592.db2.gz ZLAMUHSDVLUACW-MQYQWHSLSA-N 0 1 294.489 3.669 20 0 CHADMN CC[C@@H]1CCCN(Cc2nc(Cc3ccccc3)no2)CC1 ZINC000117344595 1120496895 /nfs/dbraw/zinc/49/68/95/1120496895.db2.gz GVBNPIFTKYIPGH-OAHLLOKOSA-N 0 1 299.418 3.673 20 0 CHADMN Cc1ncc(C(=O)N(CC(C)C)[C@@H](C)c2ccccc2C)[nH]1 ZINC000673460360 1120497185 /nfs/dbraw/zinc/49/71/85/1120497185.db2.gz FVXLUZGJUNYZID-AWEZNQCLSA-N 0 1 299.418 3.886 20 0 CHADMN c1cc(CN[C@@H](c2ccccn2)C2CCC2)n(C2CCC2)n1 ZINC000922284729 1120497387 /nfs/dbraw/zinc/49/73/87/1120497387.db2.gz COYWFASTBDAJAI-GOSISDBHSA-N 0 1 296.418 3.634 20 0 CHADMN CC(C)[C@@H]1CCCCN1Cc1nc(Cc2ccccc2)no1 ZINC000117348795 1120498077 /nfs/dbraw/zinc/49/80/77/1120498077.db2.gz BOOLDXKRUJNZRB-INIZCTEOSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1cc(Cl)ccc1CN1CC[C@H]2CCCO[C@H]2C1 ZINC001141230662 1120498514 /nfs/dbraw/zinc/49/85/14/1120498514.db2.gz HVMQXRDBNKNMPH-CJNGLKHVSA-N 0 1 279.811 3.649 20 0 CHADMN Cc1cc(Cl)ccc1CN1CC[C@H]2CCCO[C@@H]2C1 ZINC001141230663 1120498528 /nfs/dbraw/zinc/49/85/28/1120498528.db2.gz HVMQXRDBNKNMPH-CZUORRHYSA-N 0 1 279.811 3.649 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc3ncsc3c2)nc(C)n1 ZINC000660321481 1120499574 /nfs/dbraw/zinc/49/95/74/1120499574.db2.gz GPFTUWJXPGAGOD-NSHDSACASA-N 0 1 298.415 3.554 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccc3c(c2)C[C@@H](C)O3)s1 ZINC000922305364 1120503881 /nfs/dbraw/zinc/50/38/81/1120503881.db2.gz FZVCDNGSPJENIB-GHMZBOCLSA-N 0 1 288.416 3.626 20 0 CHADMN C[C@H](C(=O)Nc1ccc(CN(C)C)c(F)c1)C1CCCC1 ZINC000086236858 1120506352 /nfs/dbraw/zinc/50/63/52/1120506352.db2.gz WPXJHTZZCMUTFY-LBPRGKRZSA-N 0 1 292.398 3.652 20 0 CHADMN CC(C)(C)c1coc(CNCCC[C@@H]2C=CCC2)n1 ZINC000922325184 1120513119 /nfs/dbraw/zinc/51/31/19/1120513119.db2.gz YYWQJYDBYMUBIW-CYBMUJFWSA-N 0 1 262.397 3.808 20 0 CHADMN Cc1c([C@H](C)N[C@H](C)c2csc(Cl)c2)cnn1C ZINC000191167617 1120515481 /nfs/dbraw/zinc/51/54/81/1120515481.db2.gz YCOVRDJFBOHJLR-BDAKNGLRSA-N 0 1 283.828 3.855 20 0 CHADMN COc1ccc(C2=CCN(Cc3cncc(C)c3)CC2)cc1 ZINC000364255787 1120518229 /nfs/dbraw/zinc/51/82/29/1120518229.db2.gz OHGCRJNPUJYKJA-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN c1csc([C@H](NCc2cnc(C3CC3)o2)C2CC2)c1 ZINC000651470802 1120518440 /nfs/dbraw/zinc/51/84/40/1120518440.db2.gz YPVHIFLNFPOBRQ-CQSZACIVSA-N 0 1 274.389 3.854 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1NCc1cnc(C2CC2)o1 ZINC000651470721 1120519152 /nfs/dbraw/zinc/51/91/52/1120519152.db2.gz CSPNMJDPVSDVLE-PXAZEXFGSA-N 0 1 282.387 3.965 20 0 CHADMN COC[C@@H]1CCCCN(Cc2csc(C(C)C)n2)C1 ZINC000364260256 1120521692 /nfs/dbraw/zinc/52/16/92/1120521692.db2.gz IYRCKLRANPUAQZ-CYBMUJFWSA-N 0 1 282.453 3.515 20 0 CHADMN CC(=O)Nc1cccc(CNCc2ccc(Cl)s2)c1 ZINC000069831417 1120522910 /nfs/dbraw/zinc/52/29/10/1120522910.db2.gz ALVJAFNSHVGTSC-UHFFFAOYSA-N 0 1 294.807 3.650 20 0 CHADMN CCOc1ccccc1NC(=O)c1ccc(Cl)cc1O ZINC000019838133 1120528870 /nfs/dbraw/zinc/52/88/70/1120528870.db2.gz RXIMHSHFVCZXEW-UHFFFAOYSA-N 0 1 291.734 3.697 20 0 CHADMN COc1ccc(C)cc1NC(=O)c1ccc(Cl)cc1O ZINC000019838666 1120529349 /nfs/dbraw/zinc/52/93/49/1120529349.db2.gz LVTXHAACWVBLEL-UHFFFAOYSA-N 0 1 291.734 3.615 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@@H]2c3ccccc3CC[C@@H]2C)nn1 ZINC000925658430 1120529430 /nfs/dbraw/zinc/52/94/30/1120529430.db2.gz UCIRXQSTTGKKQS-DEYYWGMASA-N 0 1 298.434 3.833 20 0 CHADMN C[C@@H](N[C@H]1CCCn2nccc21)c1cccc(Cl)c1 ZINC000657819741 1120529609 /nfs/dbraw/zinc/52/96/09/1120529609.db2.gz YOTXHTHHCAQREX-RISCZKNCSA-N 0 1 275.783 3.722 20 0 CHADMN CC=Cc1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)cc1 ZINC000360325592 1120536105 /nfs/dbraw/zinc/53/61/05/1120536105.db2.gz PIAUYPYMNTWNKS-NSCUHMNNSA-N 0 1 295.317 3.987 20 0 CHADMN CC[N@@H+](Cc1nc(C)oc1C)[C@@H]1CCCC[C@H]1C ZINC000660368670 1120540254 /nfs/dbraw/zinc/54/02/54/1120540254.db2.gz VGLDZRIAOPGGHD-IAQYHMDHSA-N 0 1 250.386 3.692 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccccc2F)cc1 ZINC000019909069 1120545020 /nfs/dbraw/zinc/54/50/20/1120545020.db2.gz USBGOCLDIWGAIE-LBPRGKRZSA-N 0 1 259.324 3.685 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc(C)ccc2OC)cc1 ZINC000019909247 1120545127 /nfs/dbraw/zinc/54/51/27/1120545127.db2.gz AMCOXWYJQOMIRK-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN Cc1ccc(CNCc2c(C)cc(CO)cc2C)c(F)c1 ZINC000922562533 1120551260 /nfs/dbraw/zinc/55/12/60/1120551260.db2.gz LSBQCLRVKKRAFB-UHFFFAOYSA-N 0 1 287.378 3.533 20 0 CHADMN Cc1cc(CO)cc(C)c1CNCc1cscc1Cl ZINC000922561028 1120551267 /nfs/dbraw/zinc/55/12/67/1120551267.db2.gz MLAUATLSPBDJHU-UHFFFAOYSA-N 0 1 295.835 3.800 20 0 CHADMN COc1ccc(OC)c([C@@H](C)NCc2ccc(F)cc2)c1 ZINC000019943820 1120552073 /nfs/dbraw/zinc/55/20/73/1120552073.db2.gz BSJNFSZJQABVEX-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN CC[C@@H]1CCCCCN1Cc1nc(Cc2ccccc2)no1 ZINC000150735661 1120552811 /nfs/dbraw/zinc/55/28/11/1120552811.db2.gz BSHMMMRNEXDFGE-MRXNPFEDSA-N 0 1 299.418 3.815 20 0 CHADMN COC(C)(C)[C@@H](C)NCc1csc(-c2ccsc2)n1 ZINC000922583060 1120555335 /nfs/dbraw/zinc/55/53/35/1120555335.db2.gz SRPIFJKVXDKABY-SNVBAGLBSA-N 0 1 296.461 3.775 20 0 CHADMN COc1cc(CN[C@H](c2ccccn2)C2CC2)ccc1C ZINC000922584412 1120555387 /nfs/dbraw/zinc/55/53/87/1120555387.db2.gz JWPMKMHISCWZHQ-SFHVURJKSA-N 0 1 282.387 3.640 20 0 CHADMN Cc1ccc(F)cc1CN[C@@H](c1ccccn1)C1CC1 ZINC000922584196 1120556628 /nfs/dbraw/zinc/55/66/28/1120556628.db2.gz DORGTECMEJFTPF-QGZVFWFLSA-N 0 1 270.351 3.770 20 0 CHADMN CCCn1nc(C)c(CNCc2c(C)cccc2F)c1C ZINC000759819828 1120556748 /nfs/dbraw/zinc/55/67/48/1120556748.db2.gz NURXKRIISVNQAT-UHFFFAOYSA-N 0 1 289.398 3.647 20 0 CHADMN C[C@H](CCN[C@H]1CCCC1(F)F)c1ccccc1 ZINC000398040714 1120559165 /nfs/dbraw/zinc/55/91/65/1120559165.db2.gz PBZJUULDFOLBPM-OCCSQVGLSA-N 0 1 253.336 3.958 20 0 CHADMN Clc1ccc2nc([C@H]3CCC[N@@H+]3CC3CC3)[nH]c2c1 ZINC000347724851 1120559400 /nfs/dbraw/zinc/55/94/00/1120559400.db2.gz VXSCGDGKFOQRKM-CQSZACIVSA-N 0 1 275.783 3.763 20 0 CHADMN Cc1ccc2c(c1)N(C(=O)c1ccc(O)c(Cl)c1)CC2 ZINC000124250225 1120562500 /nfs/dbraw/zinc/56/25/00/1120562500.db2.gz MJBJRPJZHFJHMZ-UHFFFAOYSA-N 0 1 287.746 3.557 20 0 CHADMN Cc1cc(NC(=O)c2c(O)cccc2Cl)cs1 ZINC001168729575 1120562567 /nfs/dbraw/zinc/56/25/67/1120562567.db2.gz IMZLWKWYAIHYAO-UHFFFAOYSA-N 0 1 267.737 3.668 20 0 CHADMN CCc1cc(CN[C@H](C)c2ccc(Cl)s2)[nH]n1 ZINC000765993184 1120563400 /nfs/dbraw/zinc/56/34/00/1120563400.db2.gz LPKNLROHUOMVAF-MRVPVSSYSA-N 0 1 269.801 3.538 20 0 CHADMN CCc1cc(CN[C@H](C)c2ccc(Cl)s2)n[nH]1 ZINC000765993184 1120563404 /nfs/dbraw/zinc/56/34/04/1120563404.db2.gz LPKNLROHUOMVAF-MRVPVSSYSA-N 0 1 269.801 3.538 20 0 CHADMN CC[C@@H](NCc1scnc1C)c1cc(F)ccc1OC ZINC000922621122 1120564172 /nfs/dbraw/zinc/56/41/72/1120564172.db2.gz IWJOQRFXMAAHSL-CYBMUJFWSA-N 0 1 294.395 3.840 20 0 CHADMN CC[C@@H](NCc1ccnc(C)c1)c1cc(F)ccc1OC ZINC000922618308 1120565120 /nfs/dbraw/zinc/56/51/20/1120565120.db2.gz KGRGXTYGSGWCAP-MRXNPFEDSA-N 0 1 288.366 3.779 20 0 CHADMN CCCCc1nc2ccc(NC(=O)CC(C)(F)F)cc2[nH]1 ZINC000428914567 1120565154 /nfs/dbraw/zinc/56/51/54/1120565154.db2.gz MOEWSOCMXABEFB-UHFFFAOYSA-N 0 1 295.333 3.889 20 0 CHADMN CCSc1ccccc1[C@H](C)NCc1cc(CC)n[nH]1 ZINC000765994710 1120566501 /nfs/dbraw/zinc/56/65/01/1120566501.db2.gz RBGRJZASDDLUAI-LBPRGKRZSA-N 0 1 289.448 3.935 20 0 CHADMN CCSc1ccccc1[C@H](C)NCc1cc(CC)[nH]n1 ZINC000765994710 1120566506 /nfs/dbraw/zinc/56/65/06/1120566506.db2.gz RBGRJZASDDLUAI-LBPRGKRZSA-N 0 1 289.448 3.935 20 0 CHADMN Cn1cnc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000673600749 1120569138 /nfs/dbraw/zinc/56/91/38/1120569138.db2.gz FSDWAMUVZCHODV-QGZVFWFLSA-N 0 1 287.382 3.580 20 0 CHADMN C[C@@H]1C[C@H]1[C@H](NCc1cn(C)cn1)c1ccc(Cl)cc1 ZINC000673602878 1120571958 /nfs/dbraw/zinc/57/19/58/1120571958.db2.gz FEYAHNHBSHOVRZ-HFBAOOFYSA-N 0 1 289.810 3.560 20 0 CHADMN Cc1noc(C)c1CN(C)[C@@H](C)c1ccccc1C ZINC000193426367 1120572253 /nfs/dbraw/zinc/57/22/53/1120572253.db2.gz VOBNQKLRFMRJED-ZDUSSCGKSA-N 0 1 258.365 3.793 20 0 CHADMN COCc1ccc(CN[C@H](C)c2ccc(F)cc2C)o1 ZINC000922665838 1120575666 /nfs/dbraw/zinc/57/56/66/1120575666.db2.gz AJGRDIATXWZBAU-GFCCVEGCSA-N 0 1 277.339 3.724 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1ccncc1F ZINC000922671274 1120576614 /nfs/dbraw/zinc/57/66/14/1120576614.db2.gz ZWLKROHLWXUAMR-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1ccnn1C(C)C ZINC000922669548 1120577071 /nfs/dbraw/zinc/57/70/71/1120577071.db2.gz OHIRVPDZLYUJRO-ZDUSSCGKSA-N 0 1 275.371 3.762 20 0 CHADMN COc1ccc([C@H](C)NCc2cnc(C3CC3)nc2)cc1C ZINC000922674529 1120579211 /nfs/dbraw/zinc/57/92/11/1120579211.db2.gz LHPNZFROFYZMNA-ZDUSSCGKSA-N 0 1 297.402 3.522 20 0 CHADMN COc1ccc([C@H](C)NCc2ccnn2C2CCC2)cc1C ZINC000922674025 1120579302 /nfs/dbraw/zinc/57/93/02/1120579302.db2.gz DUKJFHOGXCOKCF-AWEZNQCLSA-N 0 1 299.418 3.776 20 0 CHADMN C[C@@H](c1ccccn1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000182064183 1128927353 /nfs/dbraw/zinc/92/73/53/1128927353.db2.gz XDYNBVKUFHQFLR-NSHDSACASA-N 0 1 276.767 3.634 20 0 CHADMN CCc1cc(CN[C@@H](C)c2sc(C(C)C)nc2C)[nH]n1 ZINC000765996382 1120582552 /nfs/dbraw/zinc/58/25/52/1120582552.db2.gz ZTHBLNXZARATTQ-JTQLQIEISA-N 0 1 292.452 3.711 20 0 CHADMN CCc1cc(CN[C@@H](C)c2sc(C(C)C)nc2C)n[nH]1 ZINC000765996382 1120582555 /nfs/dbraw/zinc/58/25/55/1120582555.db2.gz ZTHBLNXZARATTQ-JTQLQIEISA-N 0 1 292.452 3.711 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H](C)c1ccncc1 ZINC000020096770 1120584495 /nfs/dbraw/zinc/58/44/95/1120584495.db2.gz LEEJEXADIKSKLW-OLZOCXBDSA-N 0 1 256.349 3.502 20 0 CHADMN Cc1ncccc1CN1CC(C)(C)[C@@H]1c1ccccc1 ZINC000678214528 1120584725 /nfs/dbraw/zinc/58/47/25/1120584725.db2.gz ZJYKDTKZYGNQKM-KRWDZBQOSA-N 0 1 266.388 3.973 20 0 CHADMN CCc1ccc2ccccc2c1CNCc1nc(C)c[nH]1 ZINC000922714906 1120586351 /nfs/dbraw/zinc/58/63/51/1120586351.db2.gz GFHFQSIXHAMSGJ-UHFFFAOYSA-N 0 1 279.387 3.724 20 0 CHADMN C[C@H]1Oc2cc(F)ccc2[C@H]1NCc1cccc2cc[nH]c21 ZINC000673614926 1120596841 /nfs/dbraw/zinc/59/68/41/1120596841.db2.gz NKGHGPYSVVQBSQ-DIFFPNOSSA-N 0 1 296.345 3.919 20 0 CHADMN CC(C)(NCc1ccccc1F)c1ccc(F)cc1 ZINC000236699184 1120598784 /nfs/dbraw/zinc/59/87/84/1120598784.db2.gz OKVASEAOMWIJDQ-UHFFFAOYSA-N 0 1 261.315 3.990 20 0 CHADMN COc1cccc(F)c1[C@H](C)NC/C=C/c1ccncc1 ZINC000487337889 1120599041 /nfs/dbraw/zinc/59/90/41/1120599041.db2.gz VFWHNOQIIUTTJO-IHVVCDCBSA-N 0 1 286.350 3.593 20 0 CHADMN C[C@H](CN[C@H]1CCCC1(F)F)c1ccc(F)cc1 ZINC000673618475 1120601220 /nfs/dbraw/zinc/60/12/20/1120601220.db2.gz IXMYWEZXJFNSKM-MFKMUULPSA-N 0 1 257.299 3.707 20 0 CHADMN C[C@H](CF)NCc1cccc(OCc2ccccc2)c1 ZINC000673619515 1120602493 /nfs/dbraw/zinc/60/24/93/1120602493.db2.gz XZOGWBXSEZTFMY-CQSZACIVSA-N 0 1 273.351 3.713 20 0 CHADMN CC(C)(C)c1coc(CN[C@@H]2CCSC3(CCC3)C2)n1 ZINC000922841266 1120608817 /nfs/dbraw/zinc/60/88/17/1120608817.db2.gz BOYSMGXXAHTCAV-GFCCVEGCSA-N 0 1 294.464 3.880 20 0 CHADMN [O-]c1cccc(C[NH2+][C@H]2CCSC3(CCC3)C2)c1Cl ZINC000922839293 1120611588 /nfs/dbraw/zinc/61/15/88/1120611588.db2.gz CWDVZACUTMZYBX-LBPRGKRZSA-N 0 1 297.851 3.954 20 0 CHADMN CCC[C@@H](C)N(C)Cc1nc(-c2ccc(CC)cc2)no1 ZINC000642253386 1120612830 /nfs/dbraw/zinc/61/28/30/1120612830.db2.gz HEUHZTDSMMLEAW-CYBMUJFWSA-N 0 1 287.407 3.919 20 0 CHADMN C=Cn1cc(CN[C@@H](C)c2ccccc2SC)cn1 ZINC000282397768 1120613865 /nfs/dbraw/zinc/61/38/65/1120613865.db2.gz PLYBSDLWTSAWAE-LBPRGKRZSA-N 0 1 273.405 3.556 20 0 CHADMN C[C@H]1Cc2cc(CN[C@@H]3CCCc4cccnc43)ccc2O1 ZINC000922877068 1120616086 /nfs/dbraw/zinc/61/60/86/1120616086.db2.gz CHWGDFFZFCOPTN-SUMWQHHRSA-N 0 1 294.398 3.572 20 0 CHADMN Cc1c(CN(C)Cc2cccc(C(C)(C)C)c2)cnn1C ZINC000660441446 1120616660 /nfs/dbraw/zinc/61/66/60/1120616660.db2.gz DNOCQXVXDQIMMM-UHFFFAOYSA-N 0 1 285.435 3.658 20 0 CHADMN c1ccc2c(c1)cncc2CN[C@H]1CCCc2cccnc21 ZINC000922882411 1120618596 /nfs/dbraw/zinc/61/85/96/1120618596.db2.gz RCCTVWWSCGFDTK-SFHVURJKSA-N 0 1 289.382 3.797 20 0 CHADMN Cc1nc(C[N@H+]2CC[C@@H](c3ccc(C)cc3C)C2)co1 ZINC000660450192 1120619813 /nfs/dbraw/zinc/61/98/13/1120619813.db2.gz XLGJJJWBPBDARJ-OAHLLOKOSA-N 0 1 270.376 3.589 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccc(C)cc3C)C2)co1 ZINC000660450192 1120619815 /nfs/dbraw/zinc/61/98/15/1120619815.db2.gz XLGJJJWBPBDARJ-OAHLLOKOSA-N 0 1 270.376 3.589 20 0 CHADMN Cc1ccc(C(C)(C)NCc2cnc(Cl)s2)cn1 ZINC000759911609 1120620843 /nfs/dbraw/zinc/62/08/43/1120620843.db2.gz QIEXMUOLDSCUGP-UHFFFAOYSA-N 0 1 281.812 3.525 20 0 CHADMN COc1cc(C)c(-c2cccc([C@@H]3COCCN3)c2)cc1C ZINC000629710258 1128928808 /nfs/dbraw/zinc/92/88/08/1128928808.db2.gz CPSWKXGNTUXALK-SFHVURJKSA-N 0 1 297.398 3.640 20 0 CHADMN Cc1ccc(CN2CCCC[C@H]2c2ccnn2C)cc1C ZINC000500424546 1120622314 /nfs/dbraw/zinc/62/23/14/1120622314.db2.gz LEJAVZNEPNEEQS-SFHVURJKSA-N 0 1 283.419 3.764 20 0 CHADMN CCOc1ccccc1[C@H](CC(C)C)NCc1cn[nH]c1 ZINC000673629814 1120624342 /nfs/dbraw/zinc/62/43/42/1120624342.db2.gz RBTUQPXROPUFBT-INIZCTEOSA-N 0 1 287.407 3.685 20 0 CHADMN CC[N@@H+](Cc1cccs1)Cc1ccc2c(c1)CCO2 ZINC000109828692 1120631026 /nfs/dbraw/zinc/63/10/26/1120631026.db2.gz QMXDWOHLDFOBGN-UHFFFAOYSA-N 0 1 273.401 3.705 20 0 CHADMN CCc1nocc1CN[C@H](C)c1ccc(SC)cc1 ZINC000660466196 1120631416 /nfs/dbraw/zinc/63/14/16/1120631416.db2.gz RMWSRAFCLKBFNH-LLVKDONJSA-N 0 1 276.405 3.810 20 0 CHADMN COc1cncc(CN2CCCCC[C@H]2c2ccccc2)n1 ZINC000625091596 1120632647 /nfs/dbraw/zinc/63/26/47/1120632647.db2.gz YLRODFXVSLMDAA-KRWDZBQOSA-N 0 1 297.402 3.603 20 0 CHADMN CC(C)CCCN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000429059851 1120634495 /nfs/dbraw/zinc/63/44/95/1120634495.db2.gz KQKIOYMVBSIIIM-INIZCTEOSA-N 0 1 265.372 3.635 20 0 CHADMN CC1(C)C[C@H](NC2(c3c(F)cccc3F)CCC2)CO1 ZINC000624345577 1120634509 /nfs/dbraw/zinc/63/45/09/1120634509.db2.gz MWMVLXNPNOGREI-NSHDSACASA-N 0 1 281.346 3.501 20 0 CHADMN CCc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc1 ZINC000473133702 1120635199 /nfs/dbraw/zinc/63/51/99/1120635199.db2.gz BMXBHKVNGSNIGC-UHFFFAOYSA-N 0 1 290.326 3.842 20 0 CHADMN C[C@@H](NC1(c2c(F)cccc2F)CCC1)[C@H]1CCCO1 ZINC000624345883 1120635480 /nfs/dbraw/zinc/63/54/80/1120635480.db2.gz ZIISIRMABMRGQQ-BXUZGUMPSA-N 0 1 281.346 3.501 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1cccnc1C(F)(F)F ZINC000625149924 1120639977 /nfs/dbraw/zinc/63/99/77/1120639977.db2.gz BXIYAJLYMRQUJV-QWRGUYRKSA-N 0 1 272.314 3.863 20 0 CHADMN COC(=O)c1cc([C@H](C)N[C@H](C)c2ccccc2)oc1C ZINC000292485000 1120644349 /nfs/dbraw/zinc/64/43/49/1120644349.db2.gz RAVMQVCEHNOAND-NEPJUHHUSA-N 0 1 287.359 3.786 20 0 CHADMN CCO[C@@H](CN1CC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000625213371 1120648737 /nfs/dbraw/zinc/64/87/37/1120648737.db2.gz SSCOYIAHMHELCF-CVEARBPZSA-N 0 1 279.811 3.902 20 0 CHADMN Fc1ccccc1-c1nc(CN2CCC3(CC3)CC2)co1 ZINC000625274448 1120659742 /nfs/dbraw/zinc/65/97/42/1120659742.db2.gz JBLIOOCPRUXVOM-UHFFFAOYSA-N 0 1 286.350 3.857 20 0 CHADMN c1c(CN2CCC[C@H]3CCC[C@@H]32)[nH]nc1-c1ccccc1 ZINC000511837643 1120659746 /nfs/dbraw/zinc/65/97/46/1120659746.db2.gz ICOBHZGPKFTXJV-QAPCUYQASA-N 0 1 281.403 3.841 20 0 CHADMN Cc1ccc(CN2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1 ZINC000511844729 1120661149 /nfs/dbraw/zinc/66/11/49/1120661149.db2.gz MYVKKMOYYYTBIX-LPHOPBHVSA-N 0 1 281.399 3.957 20 0 CHADMN CCc1cccc(NC(=O)c2c(C)n[nH]c2C(F)(F)F)c1 ZINC000673731665 1120665431 /nfs/dbraw/zinc/66/54/31/1120665431.db2.gz JJAMBQIBRMFZRQ-UHFFFAOYSA-N 0 1 297.280 3.552 20 0 CHADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1cc(C)cc(C)c1 ZINC000673731043 1120665540 /nfs/dbraw/zinc/66/55/40/1120665540.db2.gz MGNISHQOFPSQOL-UHFFFAOYSA-N 0 1 297.280 3.606 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1)c1c(O)cccc1F ZINC000230022107 1120665857 /nfs/dbraw/zinc/66/58/57/1120665857.db2.gz POFLTUSZIUNPTG-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN Cc1ccc2sc(C[N@H+]3CC[C@H]4CCC[C@@H]43)nc2c1 ZINC000625344164 1120670669 /nfs/dbraw/zinc/67/06/69/1120670669.db2.gz SFFKUSJHGGVHGH-OCCSQVGLSA-N 0 1 272.417 3.979 20 0 CHADMN Clc1ccc(CN2CCC[C@H](c3ccccn3)C2)nc1 ZINC000660627731 1120670891 /nfs/dbraw/zinc/67/08/91/1120670891.db2.gz WOAUNAXAKNXSPS-ZDUSSCGKSA-N 0 1 287.794 3.510 20 0 CHADMN CO[C@H]1CCC[C@@H](Nc2ccc3cnccc3c2)C1 ZINC000651604423 1120678951 /nfs/dbraw/zinc/67/89/51/1120678951.db2.gz JFSZBGJGROZTFV-ZBFHGGJFSA-N 0 1 256.349 3.604 20 0 CHADMN CCC[C@@H](C)CCCN1CCC[C@@H]1c1nc(C)no1 ZINC000625429235 1120679012 /nfs/dbraw/zinc/67/90/12/1120679012.db2.gz UBLRQACMHHEAEO-TZMCWYRMSA-N 0 1 265.401 3.731 20 0 CHADMN Fc1cc(CN2CCC[C@@H]3CCC[C@H]32)cc(F)c1F ZINC000511870067 1120680829 /nfs/dbraw/zinc/68/08/29/1120680829.db2.gz BUOURYPVWFMHBB-SMDDNHRTSA-N 0 1 269.310 3.868 20 0 CHADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]CC[C@H]2CCC[C@H](C)C2)n1 ZINC000660749582 1120684282 /nfs/dbraw/zinc/68/42/82/1120684282.db2.gz YMKIEHVEIKDFID-GXTWGEPZSA-N 0 1 291.439 3.532 20 0 CHADMN Cc1nc(CN(C)[C@H]2CCC[C@H]2c2ccccc2)co1 ZINC000660775314 1120687220 /nfs/dbraw/zinc/68/72/20/1120687220.db2.gz ICQZAJWOJVFBSZ-IRXDYDNUSA-N 0 1 270.376 3.751 20 0 CHADMN C[C@H](NCCSc1cccc(Cl)c1)c1ccn(C)n1 ZINC000660781564 1120688066 /nfs/dbraw/zinc/68/80/66/1120688066.db2.gz VAZWKFKGJMUSFC-NSHDSACASA-N 0 1 295.839 3.516 20 0 CHADMN Cc1cccc(C2(NCc3cc(CO)ccc3F)CCC2)c1 ZINC000625505884 1120694962 /nfs/dbraw/zinc/69/49/62/1120694962.db2.gz GUXOBJFXBRTULS-UHFFFAOYSA-N 0 1 299.389 3.795 20 0 CHADMN Cc1nc(CN2CC(C)(C)C[C@@H]2c2ccccc2)co1 ZINC000660865617 1120694959 /nfs/dbraw/zinc/69/49/59/1120694959.db2.gz YPJDUZLNMKRHRQ-MRXNPFEDSA-N 0 1 270.376 3.956 20 0 CHADMN C[C@H]1CN(CCC(=O)c2ccccc2)Cc2ccccc2O1 ZINC000429165226 1120694993 /nfs/dbraw/zinc/69/49/93/1120694993.db2.gz ZEFLOPJDCGMLQE-HNNXBMFYSA-N 0 1 295.382 3.543 20 0 CHADMN CC(C)c1cccc(CN2CCO[C@@]3(CCSC3)C2)c1 ZINC000660898916 1120698591 /nfs/dbraw/zinc/69/85/91/1120698591.db2.gz ONZDSXNMVTZIMI-KRWDZBQOSA-N 0 1 291.460 3.518 20 0 CHADMN CCc1ncc(CN(CC)[C@@H](C)c2cccc(OC)c2)o1 ZINC000929331144 1120698902 /nfs/dbraw/zinc/69/89/02/1120698902.db2.gz ORXGGVROKXZVOD-ZDUSSCGKSA-N 0 1 288.391 3.829 20 0 CHADMN FC(F)(F)[C@@H]1CCCC[C@@H]1NCc1cc(C2CC2)no1 ZINC000660907650 1120700618 /nfs/dbraw/zinc/70/06/18/1120700618.db2.gz GFLJDWABCHPNQW-NEPJUHHUSA-N 0 1 288.313 3.763 20 0 CHADMN COC(=O)c1cccc(Cl)c1CN1CC[C@H]2CCC[C@H]21 ZINC000509178872 1120701854 /nfs/dbraw/zinc/70/18/54/1120701854.db2.gz MOKHLJGMJVXLEE-IAQYHMDHSA-N 0 1 293.794 3.501 20 0 CHADMN Cc1cc(CN[C@@H]2c3ccccc3O[C@H]2C)ccc1F ZINC000673962318 1120703083 /nfs/dbraw/zinc/70/30/83/1120703083.db2.gz HNUZJMMDEDWWAB-SJCJKPOMSA-N 0 1 271.335 3.746 20 0 CHADMN Cc1occc1CNCc1nc(C(C)C)n2ccccc12 ZINC000651685485 1120709702 /nfs/dbraw/zinc/70/97/02/1120709702.db2.gz VEOGKKJYEOJLPE-UHFFFAOYSA-N 0 1 283.375 3.649 20 0 CHADMN C[C@H](c1ccncc1)[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000191477559 1128935130 /nfs/dbraw/zinc/93/51/30/1128935130.db2.gz BOEXGHQXJGZVIK-SNVBAGLBSA-N 0 1 294.757 3.773 20 0 CHADMN C[C@H](c1cccnc1)[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000191477862 1128935200 /nfs/dbraw/zinc/93/52/00/1128935200.db2.gz YGOUKAQNXCFWCB-SNVBAGLBSA-N 0 1 294.757 3.773 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1ccc2c(c1)CCCO2 ZINC000893421353 1120717103 /nfs/dbraw/zinc/71/71/03/1120717103.db2.gz RUTYQDMFLKTBJA-CQSZACIVSA-N 0 1 282.387 3.600 20 0 CHADMN CC[C@H](C)N(CC)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000661103377 1120717442 /nfs/dbraw/zinc/71/74/42/1120717442.db2.gz AFDPDRZURKSNRE-JTQLQIEISA-N 0 1 293.798 3.609 20 0 CHADMN CC[C@@H](C)N(CC)Cc1nnc(-c2ccccc2)s1 ZINC000661103172 1120718575 /nfs/dbraw/zinc/71/85/75/1120718575.db2.gz FEYRQUJMKMEKOD-GFCCVEGCSA-N 0 1 275.421 3.826 20 0 CHADMN c1coc(C2CCN(Cc3cnc4ccccc4n3)CC2)c1 ZINC000661160696 1120728671 /nfs/dbraw/zinc/72/86/71/1120728671.db2.gz ALJHKLRJJJVMHY-UHFFFAOYSA-N 0 1 293.370 3.602 20 0 CHADMN Cc1cccc2[nH]c(CNCc3cccc4c3CCC4)nc21 ZINC000651745219 1120733087 /nfs/dbraw/zinc/73/30/87/1120733087.db2.gz FJIQEPVMQCDBNT-UHFFFAOYSA-N 0 1 291.398 3.650 20 0 CHADMN Cc1noc(C)c1C[N@@H+]1CCc2ccc(C(C)C)cc2C1 ZINC000661375440 1120757360 /nfs/dbraw/zinc/75/73/60/1120757360.db2.gz MMLLOSKQPKYFKN-UHFFFAOYSA-N 0 1 284.403 3.973 20 0 CHADMN Cc1noc(C)c1CN1CCc2ccc(C(C)C)cc2C1 ZINC000661375440 1120757363 /nfs/dbraw/zinc/75/73/63/1120757363.db2.gz MMLLOSKQPKYFKN-UHFFFAOYSA-N 0 1 284.403 3.973 20 0 CHADMN COc1ccccc1C1(NCc2cccc3c2CCC3)CC1 ZINC000651844067 1120761642 /nfs/dbraw/zinc/76/16/42/1120761642.db2.gz YZYRYRNMYBDCLI-UHFFFAOYSA-N 0 1 293.410 3.963 20 0 CHADMN C[C@@H](NCC[C@H](C)OCc1ccccc1)c1cscn1 ZINC000661418076 1120763671 /nfs/dbraw/zinc/76/36/71/1120763671.db2.gz IOAMVYMNTQJUIX-UONOGXRCSA-N 0 1 290.432 3.789 20 0 CHADMN CSc1ccc(OCCN[C@H](C)c2cscn2)cc1 ZINC000661427145 1120764189 /nfs/dbraw/zinc/76/41/89/1120764189.db2.gz YTCBBOAOJJSDMV-LLVKDONJSA-N 0 1 294.445 3.595 20 0 CHADMN Cn1cccc1CNC1(c2ccccc2Cl)CCC1 ZINC000651860866 1120764612 /nfs/dbraw/zinc/76/46/12/1120764612.db2.gz BFKIAAUZHRFFQJ-UHFFFAOYSA-N 0 1 274.795 3.848 20 0 CHADMN C[C@@H](N[C@@H]1Cc2ccccc2[C@@H]1C)c1nc(C(C)(C)C)no1 ZINC000661520005 1120774052 /nfs/dbraw/zinc/77/40/52/1120774052.db2.gz FLISOIAEDPCNLO-YWPYICTPSA-N 0 1 299.418 3.746 20 0 CHADMN CC[C@H](OCCNCc1c(C)noc1C)c1ccccc1 ZINC000651907901 1120774576 /nfs/dbraw/zinc/77/45/76/1120774576.db2.gz KLEYZZYSUWAVLI-KRWDZBQOSA-N 0 1 288.391 3.549 20 0 CHADMN CN(Cc1ncccn1)C1CC(C)(C)CC(C)(C)C1 ZINC000661536542 1120777560 /nfs/dbraw/zinc/77/75/60/1120777560.db2.gz VXWRCKAKHOPPRN-UHFFFAOYSA-N 0 1 261.413 3.513 20 0 CHADMN CCc1cnc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)o1 ZINC000661578017 1120781279 /nfs/dbraw/zinc/78/12/79/1120781279.db2.gz HOABAGIXNAVBHB-CQSZACIVSA-N 0 1 262.397 3.639 20 0 CHADMN CCc1cnc(CN2CC[C@@H](C3CCCCC3)C2)o1 ZINC000661578017 1120781282 /nfs/dbraw/zinc/78/12/82/1120781282.db2.gz HOABAGIXNAVBHB-CQSZACIVSA-N 0 1 262.397 3.639 20 0 CHADMN CC[C@H](NCc1cncn1C(C)C)c1ccccc1F ZINC000651933763 1120785070 /nfs/dbraw/zinc/78/50/70/1120785070.db2.gz JUQSHZRTJTUVPM-INIZCTEOSA-N 0 1 275.371 3.844 20 0 CHADMN COc1ccc(CN[C@H]2c3cc(C)ccc3C[C@@H]2C)o1 ZINC000893472526 1120785077 /nfs/dbraw/zinc/78/50/77/1120785077.db2.gz VBYLLIJVOMLYCN-YVEFUNNKSA-N 0 1 271.360 3.620 20 0 CHADMN C/C=C\C[C@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000629876301 1128940362 /nfs/dbraw/zinc/94/03/62/1128940362.db2.gz GZBHCKPMWUXKBY-DLGQBQFBSA-N 0 1 293.794 3.864 20 0 CHADMN FCC[C@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000661691422 1120795460 /nfs/dbraw/zinc/79/54/60/1120795460.db2.gz VFEZPDHXPHKXPY-LLVKDONJSA-N 0 1 257.299 3.536 20 0 CHADMN CCc1ccc(CNCc2cccnc2OC(C)C)cc1 ZINC000048068461 1120800757 /nfs/dbraw/zinc/80/07/57/1120800757.db2.gz RMLNOFIKTVUNFZ-UHFFFAOYSA-N 0 1 284.403 3.721 20 0 CHADMN Cc1cc(C)cc(CONC(=O)C(C)(C)c2ccccc2)c1 ZINC000078502848 1128942638 /nfs/dbraw/zinc/94/26/38/1128942638.db2.gz NFAQYRQZGIKQSG-UHFFFAOYSA-N 0 1 297.398 3.829 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N(CC(=O)Nc2c(C)cccc2C)C1 ZINC000661860905 1120825917 /nfs/dbraw/zinc/82/59/17/1120825917.db2.gz JMJFPQOHZORQLQ-HZPDHXFCSA-N 0 1 288.435 3.752 20 0 CHADMN Fc1ccc(CN2CCC([C@H]3CCCCO3)CC2)cc1F ZINC000661867263 1120829023 /nfs/dbraw/zinc/82/90/23/1120829023.db2.gz GRYAZGMJVGRQRY-QGZVFWFLSA-N 0 1 295.373 3.746 20 0 CHADMN CCc1nc(=O)c2sc(-c3ccccc3Cl)cc2[nH]1 ZINC000048606648 1120835586 /nfs/dbraw/zinc/83/55/86/1120835586.db2.gz TWPCCUDARZXAFT-UHFFFAOYSA-N 0 1 290.775 3.867 20 0 CHADMN CCc1nc(=O)c2sc(-c3cccc(Cl)c3)cc2[nH]1 ZINC000048606642 1120835688 /nfs/dbraw/zinc/83/56/88/1120835688.db2.gz SWETURXELZEGLI-UHFFFAOYSA-N 0 1 290.775 3.867 20 0 CHADMN CC[N@H+](Cc1ccc(Cl)o1)C[C@@H](O)c1ccc(C)cc1 ZINC000093640749 1120835913 /nfs/dbraw/zinc/83/59/13/1120835913.db2.gz WDBMZIZFZHRLGL-OAHLLOKOSA-N 0 1 293.794 3.797 20 0 CHADMN Clc1scc(CNc2ccc3nn[nH]c3c2)c1Cl ZINC000432251595 1120844743 /nfs/dbraw/zinc/84/47/43/1120844743.db2.gz BPBDMVHPDZHMTM-UHFFFAOYSA-N 0 1 299.186 3.938 20 0 CHADMN Clc1scc(CNc2ccc3n[nH]nc3c2)c1Cl ZINC000432251595 1120844747 /nfs/dbraw/zinc/84/47/47/1120844747.db2.gz BPBDMVHPDZHMTM-UHFFFAOYSA-N 0 1 299.186 3.938 20 0 CHADMN Clc1ccc(-c2nc(CN3CC[C@H]4C[C@H]4C3)co2)cc1 ZINC000661974134 1120849839 /nfs/dbraw/zinc/84/98/39/1120849839.db2.gz OPAKMGZLXIEGKX-STQMWFEESA-N 0 1 288.778 3.837 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](C)CC[C@H](C(=O)[O-])c1ccccc1 ZINC000652389204 1120850547 /nfs/dbraw/zinc/85/05/47/1120850547.db2.gz CJJVCXDWTCHHIW-HIFRSBDPSA-N 0 1 287.359 3.531 20 0 CHADMN COCc1nc(CN2CCC[C@@H](C(C)C)CC2)cs1 ZINC000075744923 1120852222 /nfs/dbraw/zinc/85/22/22/1120852222.db2.gz YGJMVZJFAZMELA-CYBMUJFWSA-N 0 1 282.453 3.548 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000652405385 1120856891 /nfs/dbraw/zinc/85/68/91/1120856891.db2.gz IYKPCRLKLYXKSS-IAGOWNOFSA-N 0 1 289.419 3.503 20 0 CHADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000652415393 1120859738 /nfs/dbraw/zinc/85/97/38/1120859738.db2.gz NSDHCMJUYIZIQZ-MRXNPFEDSA-N 0 1 291.366 3.679 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCCC[C@H]1CC(C)C ZINC000652425814 1120860040 /nfs/dbraw/zinc/86/00/40/1120860040.db2.gz PDHFSWWKEFETLU-AWEZNQCLSA-N 0 1 293.407 3.941 20 0 CHADMN CCC(CC)CCC[N@@H+](C)[C@@H](C)c1cnc(C)cn1 ZINC000662039463 1120862319 /nfs/dbraw/zinc/86/23/19/1120862319.db2.gz VRJUYXRIRZQOPS-AWEZNQCLSA-N 0 1 263.429 3.994 20 0 CHADMN OC[C@@H](NCC1=CCCC1)c1cccc(Cl)c1Cl ZINC000662051876 1120864997 /nfs/dbraw/zinc/86/49/97/1120864997.db2.gz OIUDJYBJKCGZEX-CYBMUJFWSA-N 0 1 286.202 3.727 20 0 CHADMN OC[C@H](N[C@@H]1C=CCCC1)c1cccc(Cl)c1Cl ZINC000662049657 1120865373 /nfs/dbraw/zinc/86/53/73/1120865373.db2.gz BHUUDRJTBXFAHF-MFKMUULPSA-N 0 1 286.202 3.725 20 0 CHADMN CCO[C@H](C)c1nc(CNC2(CC(C)C)CC2)cs1 ZINC000662070117 1120869377 /nfs/dbraw/zinc/86/93/77/1120869377.db2.gz SOUDQGNQGIDORJ-GFCCVEGCSA-N 0 1 282.453 3.909 20 0 CHADMN CC1CCC(C[N@@H+](CC(=O)[O-])C2CCCCC2)CC1 ZINC000652482039 1120870473 /nfs/dbraw/zinc/87/04/73/1120870473.db2.gz KKUXMMYTQJUNST-UHFFFAOYSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000652484982 1120872276 /nfs/dbraw/zinc/87/22/76/1120872276.db2.gz IBYZLXUHPNABAJ-QGZVFWFLSA-N 0 1 289.419 3.885 20 0 CHADMN CC[C@@H]1CCCN([C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000246762805 1120874804 /nfs/dbraw/zinc/87/48/04/1120874804.db2.gz NUIDSKHWEDFQGC-HUUCEWRRSA-N 0 1 299.418 3.843 20 0 CHADMN CC[C@H](c1ccccc1)N(Cc1ncccn1)C(C)C ZINC000662105920 1120876780 /nfs/dbraw/zinc/87/67/80/1120876780.db2.gz XVUVZCYULCBXAJ-MRXNPFEDSA-N 0 1 269.392 3.838 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1ncccc1C(F)(F)F ZINC000662129437 1120882167 /nfs/dbraw/zinc/88/21/67/1120882167.db2.gz DNTNGOZWKYGRBD-YOGCLGLASA-N 0 1 284.325 3.863 20 0 CHADMN CCCCC[C@H]1CCCCN1Cc1coc(C)n1 ZINC000662155299 1120886441 /nfs/dbraw/zinc/88/64/41/1120886441.db2.gz LOXJPJFGGCKKJO-HNNXBMFYSA-N 0 1 250.386 3.918 20 0 CHADMN Fc1ccc(-c2ccc([C@@H]3COCCN3)cc2)c(Cl)c1 ZINC000630060023 1128946963 /nfs/dbraw/zinc/94/69/63/1128946963.db2.gz GJEKJPIIJIEJIH-INIZCTEOSA-N 0 1 291.753 3.807 20 0 CHADMN CC(C)c1nnc(CN2CCCC[C@@H]2CC2CCC2)o1 ZINC000662158853 1120888253 /nfs/dbraw/zinc/88/82/53/1120888253.db2.gz XZJODPHQAHKKOT-CQSZACIVSA-N 0 1 277.412 3.738 20 0 CHADMN C[C@H](c1ccco1)N(C(=O)c1cccc2c[nH]nc21)C1CC1 ZINC000056183743 1120890400 /nfs/dbraw/zinc/89/04/00/1120890400.db2.gz VJCIKPKWPSVYQQ-LLVKDONJSA-N 0 1 295.342 3.522 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@@H](C3CCCCC3)C2)o1 ZINC000662201237 1120898278 /nfs/dbraw/zinc/89/82/78/1120898278.db2.gz KWKYXXKOVLDWTL-SWLSCSKDSA-N 0 1 277.412 3.731 20 0 CHADMN Cc1cnc(CN2CCC[C@H](C3CCCCC3)C2)o1 ZINC000662203816 1120898415 /nfs/dbraw/zinc/89/84/15/1120898415.db2.gz ZDOLOXPVZYXVCF-HNNXBMFYSA-N 0 1 262.397 3.775 20 0 CHADMN CC1(C)C[C@@]1(c1nc(C2(N)CCCC2)no1)c1ccccc1 ZINC000663251924 1120900621 /nfs/dbraw/zinc/90/06/21/1120900621.db2.gz YIHAMUHUWCCTEQ-SFHVURJKSA-N 0 1 297.402 3.514 20 0 CHADMN CC(=O)Nc1cccc(CNc2ccc3cnccc3c2)c1 ZINC000630066069 1128947758 /nfs/dbraw/zinc/94/77/58/1128947758.db2.gz ZRKNVWPCAUIYTM-UHFFFAOYSA-N 0 1 291.354 3.805 20 0 CHADMN Cc1ccc(CSc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000012255931 1120920300 /nfs/dbraw/zinc/92/03/00/1120920300.db2.gz JSZQBTNPRHFXDQ-UHFFFAOYSA-N 0 1 261.394 3.703 20 0 CHADMN Cc1ccc(CSc2nc(C(C)(C)C)n[nH]2)cc1 ZINC000012255931 1120920298 /nfs/dbraw/zinc/92/02/98/1120920298.db2.gz JSZQBTNPRHFXDQ-UHFFFAOYSA-N 0 1 261.394 3.703 20 0 CHADMN Cc1nc(CN2CCC[C@H]2Cc2ccc(F)cc2)oc1C ZINC000140099013 1120925412 /nfs/dbraw/zinc/92/54/12/1120925412.db2.gz XKOGIFSBHUMKIL-INIZCTEOSA-N 0 1 288.366 3.638 20 0 CHADMN Cc1cccc(CN(C)Cc2n[nH]c3ccccc32)c1C ZINC000644834171 1120927381 /nfs/dbraw/zinc/92/73/81/1120927381.db2.gz GEPADSFGKINWQU-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN Cc1cncc(CN[C@@]2(c3ccccc3)CC2(C)C)c1 ZINC000662339988 1120927426 /nfs/dbraw/zinc/92/74/26/1120927426.db2.gz GMHUJLUQKVWUFV-GOSISDBHSA-N 0 1 266.388 3.805 20 0 CHADMN COCc1ccc(CN[C@]2(c3ccccc3)CC2(C)C)o1 ZINC000663337606 1120938525 /nfs/dbraw/zinc/93/85/25/1120938525.db2.gz AUPHQMDMBIWVIV-SFHVURJKSA-N 0 1 285.387 3.841 20 0 CHADMN CC1(C)C[C@]1(NCc1cnc(C2CC2)nc1)c1ccccc1 ZINC000663341243 1120939450 /nfs/dbraw/zinc/93/94/50/1120939450.db2.gz MYQAZBXBWZGMIC-IBGZPJMESA-N 0 1 293.414 3.769 20 0 CHADMN CC1(C)C[C@]1(NCc1ccnn1CC1CC1)c1ccccc1 ZINC000663341703 1120939909 /nfs/dbraw/zinc/93/99/09/1120939909.db2.gz RQBVFHHAMPWXGY-IBGZPJMESA-N 0 1 295.430 3.708 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1cc(F)ccc1Cl ZINC000235453770 1120940864 /nfs/dbraw/zinc/94/08/64/1120940864.db2.gz GCGJAMIGAMCZFT-SSDOTTSWSA-N 0 1 269.669 3.910 20 0 CHADMN CCc1ccc(NC(=O)c2c[nH]nc2-c2ccsc2)cc1 ZINC000187006215 1120943926 /nfs/dbraw/zinc/94/39/26/1120943926.db2.gz JQIZURNEEQKDHC-UHFFFAOYSA-N 0 1 297.383 3.953 20 0 CHADMN COc1ccsc1CN[C@@H](C)c1cc(C)oc1C ZINC000343901200 1120948702 /nfs/dbraw/zinc/94/87/02/1120948702.db2.gz QLELPVWCZWQLBE-JTQLQIEISA-N 0 1 265.378 3.817 20 0 CHADMN CCC(CC)[C@H](NCc1cc[nH]n1)c1cccs1 ZINC000066990765 1120952122 /nfs/dbraw/zinc/95/21/22/1120952122.db2.gz HQAQKGALDDCTQA-AWEZNQCLSA-N 0 1 263.410 3.738 20 0 CHADMN Cc1nc(C)c(CNCc2ccc(C(C)C)cc2)o1 ZINC000311669681 1120958612 /nfs/dbraw/zinc/95/86/12/1120958612.db2.gz IXYZJJCDMIAEAL-UHFFFAOYSA-N 0 1 258.365 3.705 20 0 CHADMN Fc1cc(-c2ccccc2)ccc1CNC1CSC1 ZINC000644838677 1120958772 /nfs/dbraw/zinc/95/87/72/1120958772.db2.gz SFOUAUHXBSBUFU-UHFFFAOYSA-N 0 1 273.376 3.698 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccoc2)cc1OC ZINC000094869111 1120967718 /nfs/dbraw/zinc/96/77/18/1120967718.db2.gz KDUURXVRAASUAF-VXGBXAGGSA-N 0 1 275.348 3.709 20 0 CHADMN CC(C)[C@@H]1C[N@H+]([C@H](C)c2cc(F)ccc2F)CCCO1 ZINC000564785890 1120972196 /nfs/dbraw/zinc/97/21/96/1120972196.db2.gz COHLSLIBPXMRAC-WBMJQRKESA-N 0 1 283.362 3.773 20 0 CHADMN CC(C)[C@@H]1CN([C@H](C)c2cc(F)ccc2F)CCCO1 ZINC000564785890 1120972200 /nfs/dbraw/zinc/97/22/00/1120972200.db2.gz COHLSLIBPXMRAC-WBMJQRKESA-N 0 1 283.362 3.773 20 0 CHADMN Cc1cccc(CN2CCc3ccc(F)cc3C2)c1 ZINC000630343345 1128953468 /nfs/dbraw/zinc/95/34/68/1128953468.db2.gz KRLFRJCNWMIDEX-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN C[C@H](NCCOCCF)c1cccc(Cl)c1Cl ZINC000663465009 1120979790 /nfs/dbraw/zinc/97/97/90/1120979790.db2.gz UCLUCAJSSAXXCK-VIFPVBQESA-N 0 1 280.170 3.630 20 0 CHADMN COc1ccc(Cl)cc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000302734282 1120984186 /nfs/dbraw/zinc/98/41/86/1120984186.db2.gz AGQVJLUZJXOZDN-TXEJJXNPSA-N 0 1 267.800 3.827 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2)CCN1Cc1cccc(F)c1 ZINC000303460545 1120994431 /nfs/dbraw/zinc/99/44/31/1120994431.db2.gz LJNWPVJKPYOTOY-MRXNPFEDSA-N 0 1 298.405 3.532 20 0 CHADMN CC[C@H]1COCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000604396402 1120995644 /nfs/dbraw/zinc/99/56/44/1120995644.db2.gz ALOUIDWVSGUZGI-IBGZPJMESA-N 0 1 281.399 3.964 20 0 CHADMN COc1cncc(CN(C)Cc2cccc3ccccc32)c1 ZINC000343963656 1121001509 /nfs/dbraw/zinc/00/15/09/1121001509.db2.gz DDRHOWQMTXEPGK-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN CC(C)c1ccc(CNCc2nn(C)c3ccccc23)cc1 ZINC000315700555 1121014672 /nfs/dbraw/zinc/01/46/72/1121014672.db2.gz AYJQFDUIMJHKCH-UHFFFAOYSA-N 0 1 293.414 3.987 20 0 CHADMN CC(C)(C)C(=O)CCN(Cc1cccs1)C1CC1 ZINC000054026742 1121018251 /nfs/dbraw/zinc/01/82/51/1121018251.db2.gz CTSGFKINQSKEGS-UHFFFAOYSA-N 0 1 265.422 3.718 20 0 CHADMN CCCCC[C@H]1CCCCN1[C@H](C)C(=O)OCCC ZINC001174780272 1121029205 /nfs/dbraw/zinc/02/92/05/1121029205.db2.gz OCAKCWTWOKKZGN-CABCVRRESA-N 0 1 269.429 3.763 20 0 CHADMN CC=Nc1oncc1-c1ccc(Br)cc1 ZINC001174780583 1121029282 /nfs/dbraw/zinc/02/92/82/1121029282.db2.gz FWOQSQFJMPQBBC-UHFFFAOYSA-N 0 1 265.110 3.660 20 0 CHADMN C[C@H](CC(=O)Nc1cc(CN(C)C)ccn1)CC(C)(C)C ZINC000674000139 1121033710 /nfs/dbraw/zinc/03/37/10/1121033710.db2.gz LPAYZDJTNZGAPC-CYBMUJFWSA-N 0 1 291.439 3.544 20 0 CHADMN Cc1cccc(OCCN2CC[C@@H]2c2cccc(F)c2)c1 ZINC000674013602 1121038474 /nfs/dbraw/zinc/03/84/74/1121038474.db2.gz PRCPTZYFLGBDNA-GOSISDBHSA-N 0 1 285.362 3.960 20 0 CHADMN Fc1ccc(OCCN2CC[C@H]2c2cccc(F)c2)cc1 ZINC000674010552 1121038501 /nfs/dbraw/zinc/03/85/01/1121038501.db2.gz QSZASUTZSKRUEI-KRWDZBQOSA-N 0 1 289.325 3.791 20 0 CHADMN Cc1ccccc1[C@H](C)[N@@H+](C)CCc1ccccc1C(=O)[O-] ZINC000317700757 1121044781 /nfs/dbraw/zinc/04/47/81/1121044781.db2.gz DCOFQTBZMYRJRB-HNNXBMFYSA-N 0 1 297.398 3.929 20 0 CHADMN CC(C)CCOCCN1CC[C@@H]1c1cccc(F)c1 ZINC000674047531 1121056916 /nfs/dbraw/zinc/05/69/16/1121056916.db2.gz LHUSZHUNXDMBKR-MRXNPFEDSA-N 0 1 265.372 3.635 20 0 CHADMN C[C@@H](C(=O)c1c[nH]c2ncccc12)N1C[C@@H](C)CC(C)(C)C1 ZINC000344026433 1121057903 /nfs/dbraw/zinc/05/79/03/1121057903.db2.gz JRMLKSFBOAPQMA-STQMWFEESA-N 0 1 299.418 3.502 20 0 CHADMN C[C@H]1COC2(CCCC2)CN1Cc1cc2ccccc2o1 ZINC001174854576 1121066019 /nfs/dbraw/zinc/06/60/19/1121066019.db2.gz SSYVHBSEPVENOE-AWEZNQCLSA-N 0 1 285.387 3.966 20 0 CHADMN C[C@@H]1c2ccccc2CN1C[C@@H]1CCC2(CCC2)CO1 ZINC001174852565 1121066501 /nfs/dbraw/zinc/06/65/01/1121066501.db2.gz DCRLXIPGRBAMSE-ZBFHGGJFSA-N 0 1 271.404 3.913 20 0 CHADMN CC(C)(C)OCCNC(C)(C)c1nc2ccccc2s1 ZINC000625720117 1121069412 /nfs/dbraw/zinc/06/94/12/1121069412.db2.gz VMXBWCUPUFGFQS-UHFFFAOYSA-N 0 1 292.448 3.936 20 0 CHADMN C[C@H]1CN(Cc2nc(-c3ccsc3)no2)CC(C)(C)C1 ZINC000344061897 1121070798 /nfs/dbraw/zinc/07/07/98/1121070798.db2.gz MZNLNPUDVIZEEA-LLVKDONJSA-N 0 1 291.420 3.666 20 0 CHADMN Cc1ccc(Nc2ccncc2Oc2ccccc2)cc1N ZINC001174929935 1121079554 /nfs/dbraw/zinc/07/95/54/1121079554.db2.gz OCELJUOWTRLIPP-UHFFFAOYSA-N 0 1 291.354 3.930 20 0 CHADMN CSc1cccc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000660563000 1121080920 /nfs/dbraw/zinc/08/09/20/1121080920.db2.gz JALLGDZUAFVERZ-JKSUJKDBSA-N 0 1 291.460 3.798 20 0 CHADMN CCCCCNC(=O)[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000037980648 1121091343 /nfs/dbraw/zinc/09/13/43/1121091343.db2.gz DWBGIVWUUONZIV-CHWSQXEVSA-N 0 1 296.842 3.686 20 0 CHADMN Cc1n[nH]cc1CN[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000038011290 1121094120 /nfs/dbraw/zinc/09/41/20/1121094120.db2.gz URKUVERLGOZPGE-CYBMUJFWSA-N 0 1 287.407 3.604 20 0 CHADMN COCc1ccc(Nc2c(C)nc3ccc(F)cn32)cc1 ZINC001174920064 1121094138 /nfs/dbraw/zinc/09/41/38/1121094138.db2.gz QFFXQBPAPNPOEN-UHFFFAOYSA-N 0 1 285.322 3.672 20 0 CHADMN O=C(CC1CCCCCC1)Nc1cccc(-c2nnc[nH]2)c1 ZINC000674242112 1121104375 /nfs/dbraw/zinc/10/43/75/1121104375.db2.gz LIGACIQMNFHFOV-UHFFFAOYSA-N 0 1 298.390 3.771 20 0 CHADMN CC(C)c1nc(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cs1 ZINC000344153139 1121105359 /nfs/dbraw/zinc/10/53/59/1121105359.db2.gz YOZOTJROWZJASF-MGPQQGTHSA-N 0 1 294.464 3.560 20 0 CHADMN Cc1cc(CN(C)C2CCC(C(F)(F)F)CC2)no1 ZINC000344161362 1121108646 /nfs/dbraw/zinc/10/86/46/1121108646.db2.gz XNTLMHLPOPEVNV-UHFFFAOYSA-N 0 1 276.302 3.536 20 0 CHADMN CC[C@H](c1ccncc1)[N@@H+](C)Cc1cncc(Cl)c1 ZINC000621271204 1121109722 /nfs/dbraw/zinc/10/97/22/1121109722.db2.gz ZNHHCDHSMWECTP-OAHLLOKOSA-N 0 1 275.783 3.713 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1cncc(Cl)c1 ZINC000621271204 1121109724 /nfs/dbraw/zinc/10/97/24/1121109724.db2.gz ZNHHCDHSMWECTP-OAHLLOKOSA-N 0 1 275.783 3.713 20 0 CHADMN CC(C)c1cc(C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)n[nH]1 ZINC000619054494 1128963267 /nfs/dbraw/zinc/96/32/67/1128963267.db2.gz BYAMALFOEFJXSH-INIZCTEOSA-N 0 1 297.402 3.756 20 0 CHADMN Cc1cc([C@@H](C)NCC2(Sc3ccccc3)CC2)no1 ZINC000344196484 1121115866 /nfs/dbraw/zinc/11/58/66/1121115866.db2.gz RPVQWOORADXNBP-CYBMUJFWSA-N 0 1 288.416 3.959 20 0 CHADMN Cc1[nH]ncc1CNC(=O)C/C=C/c1ccc(C(C)C)cc1 ZINC000344194166 1121117717 /nfs/dbraw/zinc/11/77/17/1121117717.db2.gz JSARFASNUDIVHT-SNAWJCMRSA-N 0 1 297.402 3.561 20 0 CHADMN C[C@H](CC(=O)OC(C)(C)C)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000344209567 1121120392 /nfs/dbraw/zinc/12/03/92/1121120392.db2.gz BCSFWFACVAVUGN-BZPMIXESSA-N 0 1 293.407 3.613 20 0 CHADMN Cc1nnc([C@H](C)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)o1 ZINC000282521406 1121121443 /nfs/dbraw/zinc/12/14/43/1121121443.db2.gz TYEOOKUIMRMQAJ-SJWGOKEGSA-N 0 1 297.402 3.850 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2cc3cnccc3o2)cn1 ZINC000658032119 1121122198 /nfs/dbraw/zinc/12/21/98/1121122198.db2.gz NHOSLUXJIZOIAN-ZDUSSCGKSA-N 0 1 281.359 3.690 20 0 CHADMN Cc1cc([C@H](C)NCc2nn(C)c3ccccc23)ccc1F ZINC000674375168 1121125368 /nfs/dbraw/zinc/12/53/68/1121125368.db2.gz FPIXNNSSTOXDPZ-ZDUSSCGKSA-N 0 1 297.377 3.872 20 0 CHADMN C[C@H]1CCCCCN1CC(=O)Nc1ccc(Cl)cc1 ZINC000512156400 1121128177 /nfs/dbraw/zinc/12/81/77/1121128177.db2.gz ZIJVJMUABBFLIJ-LBPRGKRZSA-N 0 1 280.799 3.543 20 0 CHADMN CN(Cc1noc2c1CCCC2)CC1CCCCC1 ZINC000171731482 1121128159 /nfs/dbraw/zinc/12/81/59/1121128159.db2.gz HHMYCDKIXKDGGH-UHFFFAOYSA-N 0 1 262.397 3.566 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2CCCCC[C@H]2C)c(C)c1 ZINC000512158814 1121128263 /nfs/dbraw/zinc/12/82/63/1121128263.db2.gz GHKFWZNXKHVIDA-MRXNPFEDSA-N 0 1 288.435 3.815 20 0 CHADMN CC(C)CC(=O)N1CCN(CCCC2CCCCC2)CC1 ZINC001207607762 1121132736 /nfs/dbraw/zinc/13/27/36/1121132736.db2.gz AIJUODCDXLLTQN-UHFFFAOYSA-N 0 1 294.483 3.537 20 0 CHADMN CC[C@H](C)CN(C)Cc1ncc(-c2ccccc2)o1 ZINC000171952409 1121135049 /nfs/dbraw/zinc/13/50/49/1121135049.db2.gz VSLSDPQJXYBNCQ-ZDUSSCGKSA-N 0 1 258.365 3.820 20 0 CHADMN C[C@H](c1cccnc1)N(C)Cc1cc2ccccc2[nH]1 ZINC000674506061 1121139910 /nfs/dbraw/zinc/13/99/10/1121139910.db2.gz YUISVWJRMXQWSA-CYBMUJFWSA-N 0 1 265.360 3.756 20 0 CHADMN CCCCS[C@@H](C)C(=O)Nc1cccc(Cl)c1O ZINC000172108898 1121139961 /nfs/dbraw/zinc/13/99/61/1121139961.db2.gz NJBUOYZDALSQPU-VIFPVBQESA-N 0 1 287.812 3.906 20 0 CHADMN CC(C)COc1cc(F)cc(-n2c(N)nc3ccccc32)c1 ZINC001175058539 1121144958 /nfs/dbraw/zinc/14/49/58/1121144958.db2.gz FUZNDRKNXGXGAB-UHFFFAOYSA-N 0 1 299.349 3.782 20 0 CHADMN CC(C)O[C@@H](CN1Cc2ccc(O)cc2C1)c1ccccc1 ZINC000625727935 1121150961 /nfs/dbraw/zinc/15/09/61/1121150961.db2.gz RGHGVRCHUPYBLP-IBGZPJMESA-N 0 1 297.398 3.874 20 0 CHADMN CC(C)[C@@H](NCc1ccsc1Cl)c1cnn(C)c1 ZINC000922893047 1121155740 /nfs/dbraw/zinc/15/57/40/1121155740.db2.gz HIYZTLRSBAVBPO-GFCCVEGCSA-N 0 1 283.828 3.622 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701562735 1121158960 /nfs/dbraw/zinc/15/89/60/1121158960.db2.gz KOBJLIHFBMFYGZ-WQGACYEGSA-N 0 1 293.794 3.588 20 0 CHADMN Cc1ccc(C[N@@H+](C)CC2CCCCC2)cc1C(=O)[O-] ZINC000701832405 1121170448 /nfs/dbraw/zinc/17/04/48/1121170448.db2.gz UDJKRXKFUUYYRY-UHFFFAOYSA-N 0 1 275.392 3.705 20 0 CHADMN CC(C)n1cc([C@H](C)NC2CC(C)(c3ccccc3)C2)nn1 ZINC000925827849 1121175428 /nfs/dbraw/zinc/17/54/28/1121175428.db2.gz USLILNYSIFQNMK-NXVRBGIVSA-N 0 1 298.434 3.630 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@H]2CCCC[C@H]2CC)n1 ZINC000163264562 1121176429 /nfs/dbraw/zinc/17/64/29/1121176429.db2.gz QTAMGWKWVXJWMD-UPJWGTAASA-N 0 1 297.468 3.942 20 0 CHADMN c1sc(-c2ccccc2)nc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000661972514 1121184547 /nfs/dbraw/zinc/18/45/47/1121184547.db2.gz FOQSIFGUJYCHRX-ZIAGYGMSSA-N 0 1 270.401 3.652 20 0 CHADMN FC(F)(F)c1cccc2c1CCN(CCC1CC1)C2 ZINC001175156724 1121188062 /nfs/dbraw/zinc/18/80/62/1121188062.db2.gz SERSCYBGHORIND-UHFFFAOYSA-N 0 1 269.310 3.864 20 0 CHADMN Cc1ncn(C)c1Nc1cccc(C(F)(F)F)c1F ZINC001175133888 1121196432 /nfs/dbraw/zinc/19/64/32/1121196432.db2.gz FKDVZGAHHQHPMH-UHFFFAOYSA-N 0 1 273.233 3.630 20 0 CHADMN C[C@@H]1CN(CCCOC(C)(C)C)[C@@H](c2ccccc2)CO1 ZINC000674908798 1121196877 /nfs/dbraw/zinc/19/68/77/1121196877.db2.gz BXUYSNKHVQJRBX-NVXWUHKLSA-N 0 1 291.435 3.654 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CCCCC[C@H]1C ZINC000512203972 1121198750 /nfs/dbraw/zinc/19/87/50/1121198750.db2.gz SLWHDFVPHZRDCG-CYBMUJFWSA-N 0 1 289.398 3.960 20 0 CHADMN FC(F)(F)c1n[nH]c2c1CCN(C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207632418 1121200389 /nfs/dbraw/zinc/20/03/89/1121200389.db2.gz ODTJNSYNBUKTPB-ICUOPCATSA-N 0 1 297.324 3.555 20 0 CHADMN Fc1ccc([C@H]2c3[nH]cnc3CCN2CC2CCCC2)cc1 ZINC001175164529 1121211184 /nfs/dbraw/zinc/21/11/84/1121211184.db2.gz LVEMATNFBLKDMP-SFHVURJKSA-N 0 1 299.393 3.687 20 0 CHADMN C[C@H](NCCC(C)(C)F)c1nc(C(F)(F)F)cs1 ZINC000658191427 1121211607 /nfs/dbraw/zinc/21/16/07/1121211607.db2.gz SAADDKPKRUOUAZ-ZETCQYMHSA-N 0 1 284.322 3.951 20 0 CHADMN CCOc1ccc(Nc2ccc3nccn3c2)cc1C ZINC001175165907 1121211823 /nfs/dbraw/zinc/21/18/23/1121211823.db2.gz CCFORRPURKCRPH-UHFFFAOYSA-N 0 1 267.332 3.785 20 0 CHADMN CC[C@@H]1CN(Cc2cccc(OC(C)(C)C)n2)CCS1 ZINC000351684098 1121214496 /nfs/dbraw/zinc/21/44/96/1121214496.db2.gz FDILAKMGTRFTAF-CQSZACIVSA-N 0 1 294.464 3.586 20 0 CHADMN Cn1ccnc1[C@@H]1CCCN(Cc2ccsc2Cl)C1 ZINC000446829956 1128970210 /nfs/dbraw/zinc/97/02/10/1128970210.db2.gz NCYGQULTIAQWQC-GFCCVEGCSA-N 0 1 295.839 3.515 20 0 CHADMN C[C@@H](N[C@H](C)c1csc(Cl)c1)c1cn[nH]c1 ZINC000230411080 1121220316 /nfs/dbraw/zinc/22/03/16/1121220316.db2.gz BHKAUPVLWWYCML-HTQZYQBOSA-N 0 1 255.774 3.536 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1Cc1nc2ccccc2c(=O)[nH]1 ZINC000675127286 1121221153 /nfs/dbraw/zinc/22/11/53/1121221153.db2.gz FKQWJBHGWHECHR-CQSZACIVSA-N 0 1 299.418 3.736 20 0 CHADMN CC(C)C[C@H]1CCCCN1Cc1nc2ccccc2c(=O)[nH]1 ZINC000675127286 1121221158 /nfs/dbraw/zinc/22/11/58/1121221158.db2.gz FKQWJBHGWHECHR-CQSZACIVSA-N 0 1 299.418 3.736 20 0 CHADMN Cn1cncc1Nc1ccc(-c2ccccc2)c(F)c1 ZINC001175207380 1121222807 /nfs/dbraw/zinc/22/28/07/1121222807.db2.gz JMRASCJPUGFNLA-UHFFFAOYSA-N 0 1 267.307 3.970 20 0 CHADMN C[C@@H](NCc1cncc(Cl)c1)c1ccc2c(c1)CCO2 ZINC000702966616 1121224255 /nfs/dbraw/zinc/22/42/55/1121224255.db2.gz OLKABTZUGIZRKC-LLVKDONJSA-N 0 1 288.778 3.521 20 0 CHADMN CC(C)[C@H](Cc1ccccc1)C(=O)NOc1ccccc1 ZINC000773474695 1121225153 /nfs/dbraw/zinc/22/51/53/1121225153.db2.gz WDRYHASVARTRAB-KRWDZBQOSA-N 0 1 283.371 3.612 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1cncc(Cl)c1 ZINC000703023670 1121225338 /nfs/dbraw/zinc/22/53/38/1121225338.db2.gz VNKZBZZSAADFDH-HNNXBMFYSA-N 0 1 276.742 3.651 20 0 CHADMN O=C([O-])c1cc(Nc2cccc3cc[nH+]cc32)ccc1F ZINC001175219642 1121227832 /nfs/dbraw/zinc/22/78/32/1121227832.db2.gz BUZLBFWXEDUWHW-UHFFFAOYSA-N 0 1 282.274 3.816 20 0 CHADMN CC(C)c1nc(CN2C[C@H](C)C[C@H](C)C2)cs1 ZINC000051157396 1121228629 /nfs/dbraw/zinc/22/86/29/1121228629.db2.gz FWFKKOHSDXIZTF-TXEJJXNPSA-N 0 1 252.427 3.744 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccccn2)cc1F ZINC000094836661 1121230986 /nfs/dbraw/zinc/23/09/86/1121230986.db2.gz VBVDWXMMLNPKOJ-OLZOCXBDSA-N 0 1 258.340 3.941 20 0 CHADMN C[C@@H](NCC[C@H](C)F)c1ncc(-c2ccccc2)o1 ZINC000351730475 1121233791 /nfs/dbraw/zinc/23/37/91/1121233791.db2.gz OTBZDXSIHZQJBQ-NWDGAFQWSA-N 0 1 262.328 3.740 20 0 CHADMN Cc1cc(Nc2cnc3cccc(C)n23)ccc1F ZINC001175253482 1121234880 /nfs/dbraw/zinc/23/48/80/1121234880.db2.gz RWSJEAUEVWMBDW-UHFFFAOYSA-N 0 1 255.296 3.834 20 0 CHADMN Cc1cscc1CNCc1cnn(-c2ccccc2)c1 ZINC000094877300 1121236488 /nfs/dbraw/zinc/23/64/88/1121236488.db2.gz VNISJRNGTSIYLY-UHFFFAOYSA-N 0 1 283.400 3.532 20 0 CHADMN CC(C)(C)CCC[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000261559067 1121237697 /nfs/dbraw/zinc/23/76/97/1121237697.db2.gz KLJIKHXDIXDIAR-MJBXVCDLSA-N 0 1 267.413 3.530 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2c(O)cccc2F)C1 ZINC000436704426 1121239500 /nfs/dbraw/zinc/23/95/00/1121239500.db2.gz LYVZZPFPPRHMDA-DOMZBBRYSA-N 0 1 299.345 3.755 20 0 CHADMN CCn1cc([C@H](C)N[C@@H](C)c2ccc(C)c(F)c2)cn1 ZINC000094953052 1121246856 /nfs/dbraw/zinc/24/68/56/1121246856.db2.gz DHBRNUOENWJFAO-STQMWFEESA-N 0 1 275.371 3.762 20 0 CHADMN CCOc1cc(F)ccc1Nc1ccnn1-c1ccncc1 ZINC001175290919 1121258508 /nfs/dbraw/zinc/25/85/08/1121258508.db2.gz IKKSJFBXNHANSM-UHFFFAOYSA-N 0 1 298.321 3.549 20 0 CHADMN Cc1cccc(F)c1CNCc1ccc2cnccc2c1 ZINC000785477514 1121269488 /nfs/dbraw/zinc/26/94/88/1121269488.db2.gz QIBPLUDXVYOFFL-UHFFFAOYSA-N 0 1 280.346 3.972 20 0 CHADMN CCSCCN(Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000338164327 1121272588 /nfs/dbraw/zinc/27/25/88/1121272588.db2.gz XAEAAVXLAZMTDY-UHFFFAOYSA-N 0 1 294.464 3.586 20 0 CHADMN CCc1nc(C2(NCC3CCCCC3)CCCC2)no1 ZINC000174237402 1121276688 /nfs/dbraw/zinc/27/66/88/1121276688.db2.gz HLVQZBVEIPVXBH-UHFFFAOYSA-N 0 1 277.412 3.571 20 0 CHADMN CN(CCOc1ccccc1)c1ccnc2cc(F)ccc21 ZINC000500466229 1121282300 /nfs/dbraw/zinc/28/23/00/1121282300.db2.gz RQAHNSOKKPUWGX-UHFFFAOYSA-N 0 1 296.345 3.889 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1CC(=O)c1cc(C)n(CC)c1C ZINC000124594224 1121306195 /nfs/dbraw/zinc/30/61/95/1121306195.db2.gz NPHLIEYFJSNGIT-SWLSCSKDSA-N 0 1 276.424 3.570 20 0 CHADMN CC[C@@H](NC[C@H](O)c1ccc(C)o1)c1cc(F)ccc1F ZINC000766136145 1121306586 /nfs/dbraw/zinc/30/65/86/1121306586.db2.gz BNPREEPCIWWPSZ-CABCVRRESA-N 0 1 295.329 3.641 20 0 CHADMN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000658330906 1121310563 /nfs/dbraw/zinc/31/05/63/1121310563.db2.gz KUYTUJHGLJCSGH-VHSSKADRSA-N 0 1 298.386 3.702 20 0 CHADMN CO[C@H](C)CN(Cc1nc2ccc(F)cc2s1)C(C)C ZINC000432751869 1121317524 /nfs/dbraw/zinc/31/75/24/1121317524.db2.gz FPYRQRQXWOZIMK-LLVKDONJSA-N 0 1 296.411 3.681 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2ccc(C(F)(F)F)s2)C1 ZINC000432752689 1121318551 /nfs/dbraw/zinc/31/85/51/1121318551.db2.gz OBCUSFUVSIKRLY-RKDXNWHRSA-N 0 1 263.328 3.997 20 0 CHADMN CC(C)[C@H](NCc1cc(Cl)ccc1F)c1cnn(C)c1 ZINC000922896439 1121321078 /nfs/dbraw/zinc/32/10/78/1121321078.db2.gz VJJQYAILNXBNAQ-HNNXBMFYSA-N 0 1 295.789 3.700 20 0 CHADMN FC1(F)CC[C@@H](NCc2coc(-c3ccccc3)n2)C1 ZINC000675646178 1121332931 /nfs/dbraw/zinc/33/29/31/1121332931.db2.gz ZFSXFXTWSOESPF-GFCCVEGCSA-N 0 1 278.302 3.619 20 0 CHADMN c1cn(C2CCCC2)nc1CN1C2CCCC1CCC2 ZINC000675639088 1121336627 /nfs/dbraw/zinc/33/66/27/1121336627.db2.gz BNJJFIPMJVDHQR-UHFFFAOYSA-N 0 1 273.424 3.905 20 0 CHADMN COc1ncc(CN2CCCC[C@@H]2c2ccccc2)s1 ZINC001139815111 1121343492 /nfs/dbraw/zinc/34/34/92/1121343492.db2.gz WFVWNBXVSNLKCS-OAHLLOKOSA-N 0 1 288.416 3.879 20 0 CHADMN Cc1cc(Nc2cnc3cccc(C)n23)cc2c[nH]nc21 ZINC001175517274 1121358890 /nfs/dbraw/zinc/35/88/90/1121358890.db2.gz HRMRCMMQGBYHBG-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN C[C@@H](N[C@@H]1CSCc2ccccc21)c1cncs1 ZINC000675782502 1121360860 /nfs/dbraw/zinc/36/08/60/1121360860.db2.gz HHOJMOHZZZPCFT-ZWNOBZJWSA-N 0 1 276.430 3.782 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(OC(F)F)nc1 ZINC001175523420 1121362247 /nfs/dbraw/zinc/36/22/47/1121362247.db2.gz FRXKETIVYVLHJP-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccnc(OC(F)F)c1 ZINC001175522962 1121362957 /nfs/dbraw/zinc/36/29/57/1121362957.db2.gz CCHWOVNEVYUICT-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1c(Cl)cnnc1Cl ZINC001175524309 1121363376 /nfs/dbraw/zinc/36/33/76/1121363376.db2.gz RGOIMKZMDQBLGS-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN COc1ncc(Nc2c3cn[nH]c3ccc2C)cc1Cl ZINC001175523241 1121363905 /nfs/dbraw/zinc/36/39/05/1121363905.db2.gz BQVGDPXNZZKSDM-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1cccc(Nc2c3cn[nH]c3ccc2C)c1O ZINC001175525346 1121364569 /nfs/dbraw/zinc/36/45/69/1121364569.db2.gz BYZXPPOEJZTJIZ-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cnc2cccc(O)c2c1 ZINC001175524968 1121364919 /nfs/dbraw/zinc/36/49/19/1121364919.db2.gz ZCFYQUHDVPOUKK-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2[nH]c(=O)sc2c1 ZINC001175525957 1121365029 /nfs/dbraw/zinc/36/50/29/1121365029.db2.gz LJEZAFHVSZHTLW-UHFFFAOYSA-N 0 1 296.355 3.930 20 0 CHADMN COc1ccc(Nc2c3cn[nH]c3ccc2C)cc1C ZINC001175525932 1121365158 /nfs/dbraw/zinc/36/51/58/1121365158.db2.gz KFPLSLYUYBQEDF-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1cc(N2CC=C(C)CC2)c2cc(F)ccc2n1 ZINC000339222185 1121365360 /nfs/dbraw/zinc/36/53/60/1121365360.db2.gz VWWLAEMBTNUTAH-UHFFFAOYSA-N 0 1 256.324 3.839 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1snc2cccnc21 ZINC001175524912 1121365694 /nfs/dbraw/zinc/36/56/94/1121365694.db2.gz WXSXOYKARMDWIR-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN CC(=O)c1ccccc1Nc1c2cn[nH]c2ccc1C ZINC001175525453 1121365753 /nfs/dbraw/zinc/36/57/53/1121365753.db2.gz CTXAJQNPWNMZMX-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(C(C)(C)C)no1 ZINC001175525908 1121366091 /nfs/dbraw/zinc/36/60/91/1121366091.db2.gz OWZACALPPWFWLV-UHFFFAOYSA-N 0 1 270.336 3.900 20 0 CHADMN FC(F)(F)c1ccc(-c2noc([C@@H]3CCCCN3)n2)cc1 ZINC000070458760 1128980880 /nfs/dbraw/zinc/98/08/80/1128980880.db2.gz QMQDKEMBZJOQPF-NSHDSACASA-N 0 1 297.280 3.570 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2c(c1)OCCCO2 ZINC001175526012 1121369034 /nfs/dbraw/zinc/36/90/34/1121369034.db2.gz MKWXLRBSFKWMIB-UHFFFAOYSA-N 0 1 295.342 3.776 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1c(N)cc(Cl)cc1F ZINC001175527656 1121370360 /nfs/dbraw/zinc/37/03/60/1121370360.db2.gz UHHZSGPTKRLDLJ-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1c(N)ccc(F)c1C ZINC001175527647 1121371140 /nfs/dbraw/zinc/37/11/40/1121371140.db2.gz TWHDTBCUHRTMSC-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN Cc1nnc(CN2CCC[C@@H](C3CCCCC3)C2)s1 ZINC000662201256 1121371153 /nfs/dbraw/zinc/37/11/53/1121371153.db2.gz LLOUVDDUOOPEKQ-CQSZACIVSA-N 0 1 279.453 3.639 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2cncnc2c1 ZINC001175527378 1121371897 /nfs/dbraw/zinc/37/18/97/1121371897.db2.gz KIGSGKCFFFZKGP-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1cccc(CNCc2ccc(CC(F)(F)F)cc2)n1 ZINC000631048422 1128981190 /nfs/dbraw/zinc/98/11/90/1128981190.db2.gz VVNGOERCHBWWKL-UHFFFAOYSA-N 0 1 294.320 3.785 20 0 CHADMN Cc1cc(CN[C@@H](C)c2sc(C(C)(C)C)nc2C)[nH]n1 ZINC000675893299 1121377457 /nfs/dbraw/zinc/37/74/57/1121377457.db2.gz HUWKOEQJQZMETD-JTQLQIEISA-N 0 1 292.452 3.631 20 0 CHADMN Cc1cc(CN[C@@H](C)c2sc(C(C)(C)C)nc2C)n[nH]1 ZINC000675893299 1121377466 /nfs/dbraw/zinc/37/74/66/1121377466.db2.gz HUWKOEQJQZMETD-JTQLQIEISA-N 0 1 292.452 3.631 20 0 CHADMN CCCOc1cccc(-n2c(N)nc3ccc(C)cc32)c1 ZINC001175598635 1121379945 /nfs/dbraw/zinc/37/99/45/1121379945.db2.gz OIDCMRUYBUWHGF-UHFFFAOYSA-N 0 1 281.359 3.705 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000051532604 1121380872 /nfs/dbraw/zinc/38/08/72/1121380872.db2.gz YKUVYTKXERJWAP-UONOGXRCSA-N 0 1 285.391 3.920 20 0 CHADMN c1cc(CNC2(c3ccccc3)CCC2)n(CC2CCC2)n1 ZINC000631057685 1128981966 /nfs/dbraw/zinc/98/19/66/1128981966.db2.gz ZPZMUPZBAFZXNP-UHFFFAOYSA-N 0 1 295.430 3.852 20 0 CHADMN Cc1ccc(-c2nnc(CN(C)[C@@H]3CC[C@H](C)C3)o2)cc1 ZINC000429585678 1121388472 /nfs/dbraw/zinc/38/84/72/1121388472.db2.gz SOAWNCKKDFLGAD-DZGCQCFKSA-N 0 1 285.391 3.665 20 0 CHADMN C[C@@H]1CC[C@@H]([N@@H+](C)Cc2csc(C3CC3)n2)C1 ZINC000429587949 1121389817 /nfs/dbraw/zinc/38/98/17/1121389817.db2.gz FWJWUQFONUBRGM-ZWNOBZJWSA-N 0 1 250.411 3.641 20 0 CHADMN C[C@@H]1CC[C@@H](N(C)Cc2csc(C3CC3)n2)C1 ZINC000429587949 1121389825 /nfs/dbraw/zinc/38/98/25/1121389825.db2.gz FWJWUQFONUBRGM-ZWNOBZJWSA-N 0 1 250.411 3.641 20 0 CHADMN CC(C)(C)CC=Nc1c(F)c(F)c(N)c(F)c1F ZINC001175571023 1121392085 /nfs/dbraw/zinc/39/20/85/1121392085.db2.gz KDSKPHCHJHRGNH-SNAWJCMRSA-N 0 1 262.250 3.797 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1Cc1nnc(C(C)(C)C)[nH]1 ZINC000432824120 1121392663 /nfs/dbraw/zinc/39/26/63/1121392663.db2.gz SAPZGUUBJXUXBE-QWHCGFSZSA-N 0 1 278.444 3.503 20 0 CHADMN CN1CCC=C(Nc2cc(Oc3ccccc3)ccc2N)C1 ZINC001175577960 1121394497 /nfs/dbraw/zinc/39/44/97/1121394497.db2.gz AWHWUPZYNRUMMG-UHFFFAOYSA-N 0 1 295.386 3.692 20 0 CHADMN Cc1ccc(Br)c(C)c1NC1=CCCN(C)C1 ZINC001175580333 1121394915 /nfs/dbraw/zinc/39/49/15/1121394915.db2.gz MEEJEXCCOGMVNC-UHFFFAOYSA-N 0 1 295.224 3.697 20 0 CHADMN C(=C\c1ccccc1)\CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000675976683 1121395347 /nfs/dbraw/zinc/39/53/47/1121395347.db2.gz QKTQWMXZYYPPSH-TWGQIWQCSA-N 0 1 289.382 3.676 20 0 CHADMN CCC[C@H](NCc1ccnn1CC1CCC1)c1ccccn1 ZINC000631066707 1128982607 /nfs/dbraw/zinc/98/26/07/1128982607.db2.gz LYRQJNMSRURXGW-KRWDZBQOSA-N 0 1 298.434 3.709 20 0 CHADMN CCOCCN(C)Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000500778065 1121398465 /nfs/dbraw/zinc/39/84/65/1121398465.db2.gz FTVBKHMLRYQIGK-UHFFFAOYSA-N 0 1 291.366 3.862 20 0 CHADMN CN(Cc1n[nH]c(C(C)(C)C)n1)c1ccc(F)c(Cl)c1 ZINC000432845060 1121404546 /nfs/dbraw/zinc/40/45/46/1121404546.db2.gz BNMQVTTYRAXUSI-UHFFFAOYSA-N 0 1 296.777 3.531 20 0 CHADMN CC[C@H](NCc1cccnc1C)c1ccccc1OC ZINC000705528720 1121406477 /nfs/dbraw/zinc/40/64/77/1121406477.db2.gz YGFAJIIVHVXPFE-INIZCTEOSA-N 0 1 270.376 3.640 20 0 CHADMN CC[C@@H](CN(Cc1ccco1)Cc1cccs1)OC ZINC000419183922 1121409289 /nfs/dbraw/zinc/40/92/89/1121409289.db2.gz CFDHGSSJJDQDNW-ZDUSSCGKSA-N 0 1 279.405 3.768 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cnc(Cl)c(C)c3)cc12 ZINC001175695508 1121414762 /nfs/dbraw/zinc/41/47/62/1121414762.db2.gz JMHBNMSXIDHZNZ-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN c1cc(C2CCCC2)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000676211657 1121414791 /nfs/dbraw/zinc/41/47/91/1121414791.db2.gz FXOBJEPFMHCITQ-HDICACEKSA-N 0 1 271.404 3.707 20 0 CHADMN c1cc(C2CCCC2)ccc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000676211657 1121414796 /nfs/dbraw/zinc/41/47/96/1121414796.db2.gz FXOBJEPFMHCITQ-HDICACEKSA-N 0 1 271.404 3.707 20 0 CHADMN Cc1nc(Nc2ccc3n[nH]c(C)c3c2)sc1C ZINC001175693090 1121415348 /nfs/dbraw/zinc/41/53/48/1121415348.db2.gz ZBIZUCWWNVVJFO-UHFFFAOYSA-N 0 1 258.350 3.688 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(C)nc3C)cc21 ZINC001175693022 1121415067 /nfs/dbraw/zinc/41/50/67/1121415067.db2.gz VRYGYTMZVNCBID-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN CC[C@@H](CNCc1cc(C)no1)Oc1ccccc1Cl ZINC000631084045 1128983847 /nfs/dbraw/zinc/98/38/47/1128983847.db2.gz QKQJBKWGGAZJIV-LBPRGKRZSA-N 0 1 294.782 3.584 20 0 CHADMN COc1nccc(Nc2ccc3n[nH]c(C)c3c2)c1Cl ZINC001175695086 1121415383 /nfs/dbraw/zinc/41/53/83/1121415383.db2.gz FOQUSGAJHXWENA-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cnc4occc4c3)cc12 ZINC001175699258 1121416355 /nfs/dbraw/zinc/41/63/55/1121416355.db2.gz OSEXXCFMAVMXAU-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1n[nH]c2ccc(Nc3c(C)nc4ccc(F)cn43)cc12 ZINC001175699257 1121416706 /nfs/dbraw/zinc/41/67/06/1121416706.db2.gz ORUMMBZNQCOATO-UHFFFAOYSA-N 0 1 295.321 3.710 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc2n[nH]c(C)c2c1 ZINC001175699257 1121416712 /nfs/dbraw/zinc/41/67/12/1121416712.db2.gz ORUMMBZNQCOATO-UHFFFAOYSA-N 0 1 295.321 3.710 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccccc3-n3ccnc3)cc12 ZINC001175699129 1121416906 /nfs/dbraw/zinc/41/69/06/1121416906.db2.gz IPDUEDFMOHLCFB-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(O)c(F)cc3F)cc12 ZINC001175699060 1121416983 /nfs/dbraw/zinc/41/69/83/1121416983.db2.gz HBGLOEXPUKTSDN-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1[nH]nc2ccc(Nc3c(C)ccnc3C)cc21 ZINC001175696150 1121417012 /nfs/dbraw/zinc/41/70/12/1121417012.db2.gz UUUXXTVAPYUFOQ-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN Cc1[nH]nc2ccc(N3c4ccc(N)cc4CC[C@H]3C)cc12 ZINC001175699728 1121417756 /nfs/dbraw/zinc/41/77/56/1121417756.db2.gz QFDNKRXMUDQBGI-LLVKDONJSA-N 0 1 292.386 3.926 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@H]1C(=O)[O-] ZINC000314160012 1121417757 /nfs/dbraw/zinc/41/77/57/1121417757.db2.gz OTSTUQDQHZONOO-CZUORRHYSA-N 0 1 289.419 3.527 20 0 CHADMN CC(=O)c1cc(Nc2ccc3n[nH]c(C)c3c2)ccc1O ZINC001175700529 1121418213 /nfs/dbraw/zinc/41/82/13/1121418213.db2.gz NJATUBKSQICHKC-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4c(c3)CCN4C)cc21 ZINC001175701781 1121419020 /nfs/dbraw/zinc/41/90/20/1121419020.db2.gz JXRQMYSMJCTDAS-UHFFFAOYSA-N 0 1 278.359 3.607 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(C)cc(Cl)n3)ccc12 ZINC001175657108 1121421972 /nfs/dbraw/zinc/42/19/72/1121421972.db2.gz PGZPUGRPXWUAEY-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN CCOc1ncc(Nc2ccc3c(C)[nH]nc3c2)cc1F ZINC001175656584 1121422174 /nfs/dbraw/zinc/42/21/74/1121422174.db2.gz JGZVAHVPFJGEAF-UHFFFAOYSA-N 0 1 286.310 3.548 20 0 CHADMN CCc1nc2cc(NCc3[nH]nc4ccccc43)ccc2o1 ZINC000676315359 1121422521 /nfs/dbraw/zinc/42/25/21/1121422521.db2.gz LVVKYFFVNLOHGC-UHFFFAOYSA-N 0 1 292.342 3.879 20 0 CHADMN CO[C@@H](C)c1cccc(NCc2ccc3nc[nH]c3c2)c1 ZINC000676322079 1121422786 /nfs/dbraw/zinc/42/27/86/1121422786.db2.gz POJASUCYBJBKCY-LBPRGKRZSA-N 0 1 281.359 3.882 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(F)nc(F)c3Cl)ccc12 ZINC001175657716 1121422791 /nfs/dbraw/zinc/42/27/91/1121422791.db2.gz XRGKJCLUFYVBEO-UHFFFAOYSA-N 0 1 294.692 3.942 20 0 CHADMN Cc1cc(F)cc(NCc2[nH]nc3ccccc32)c1 ZINC000676318237 1121422990 /nfs/dbraw/zinc/42/29/90/1121422990.db2.gz UGBJMZYBNIURQJ-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN COCc1ccccc1NCc1cnc(-c2ccccc2)[nH]1 ZINC000676318577 1121423054 /nfs/dbraw/zinc/42/30/54/1121423054.db2.gz GNDCHFRDMQBYEO-UHFFFAOYSA-N 0 1 293.370 3.835 20 0 CHADMN COc1nccc(Nc2ccc3c(C)[nH]nc3c2)c1Cl ZINC001175660458 1121424513 /nfs/dbraw/zinc/42/45/13/1121424513.db2.gz ZXJIIAYAJPCVIO-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1[nH]nc2cc(Nc3ncccc3N3CCCC3)ccc21 ZINC001175660637 1121424737 /nfs/dbraw/zinc/42/47/37/1121424737.db2.gz TWTYBZZPPSKUAV-UHFFFAOYSA-N 0 1 293.374 3.610 20 0 CHADMN Cc1[nH]nc2cc(Nc3cncc(OC(F)F)c3)ccc12 ZINC001175660246 1121424971 /nfs/dbraw/zinc/42/49/71/1121424971.db2.gz NPZFTKFSKNTRLR-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1cc(Nc2ccc3c(C)[nH]nc3c2)n(C(C)(C)C)n1 ZINC001175660384 1121425129 /nfs/dbraw/zinc/42/51/29/1121425129.db2.gz XZUFFBWAKYNBLH-UHFFFAOYSA-N 0 1 283.379 3.875 20 0 CHADMN CCN(Cc1cccs1)Cc1cccc(F)c1OC ZINC001143536755 1121426086 /nfs/dbraw/zinc/42/60/86/1121426086.db2.gz HPBZIVRCOZTCFU-UHFFFAOYSA-N 0 1 279.380 3.918 20 0 CHADMN CC(=O)c1ccccc1Nc1ccc2c(C)[nH]nc2c1 ZINC001175662334 1121426226 /nfs/dbraw/zinc/42/62/26/1121426226.db2.gz HIGAHGFKMBMZJY-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(C4OCCO4)cc3)ccc21 ZINC001175662595 1121426333 /nfs/dbraw/zinc/42/63/33/1121426333.db2.gz UCDDYTWFVYFTDY-UHFFFAOYSA-N 0 1 295.342 3.660 20 0 CHADMN CC(=O)c1c(F)cccc1Nc1ccc2c(C)[nH]nc2c1 ZINC001175662674 1121426398 /nfs/dbraw/zinc/42/63/98/1121426398.db2.gz ATYKMBYNBOAERD-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4ncn(C)c4c3)ccc12 ZINC001175662570 1121426534 /nfs/dbraw/zinc/42/65/34/1121426534.db2.gz SCUJBYJCRCLTKK-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(N)cc(Cl)c3)ccc12 ZINC001175665372 1121427520 /nfs/dbraw/zinc/42/75/20/1121427520.db2.gz LNHPZUIWBLOHGB-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN CNc1cccc(C)c1Nc1ccc2c(c1)n[nH]c2C ZINC001175664958 1121428232 /nfs/dbraw/zinc/42/82/32/1121428232.db2.gz JKYNZCXIXSBWKQ-UHFFFAOYSA-N 0 1 266.348 3.965 20 0 CHADMN c1ccc([C@H]2CCN2Cc2[nH]nc3ccccc32)cc1 ZINC000676414354 1121431506 /nfs/dbraw/zinc/43/15/06/1121431506.db2.gz WEXKDWDTORJHIZ-QGZVFWFLSA-N 0 1 263.344 3.510 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(C)cc(C)n3)cc21 ZINC001175692649 1121435328 /nfs/dbraw/zinc/43/53/28/1121435328.db2.gz CCYHWDGENURGEZ-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN CCc1nc(CCN[C@H](C)c2nc(C)sc2C)cs1 ZINC000676490743 1121435850 /nfs/dbraw/zinc/43/58/50/1121435850.db2.gz STHRAIKLUFLRGC-SECBINFHSA-N 0 1 295.477 3.672 20 0 CHADMN CO[C@H](CN[C@H](C)c1nc(C)sc1C)c1ccccc1 ZINC000676488825 1121439736 /nfs/dbraw/zinc/43/97/36/1121439736.db2.gz HDVJXQCIOCGLNT-IAQYHMDHSA-N 0 1 290.432 3.798 20 0 CHADMN Cc1noc2ncc(CN(C)[C@H](C)c3ccc(F)cc3)cc12 ZINC000893915179 1121439832 /nfs/dbraw/zinc/43/98/32/1121439832.db2.gz QKDCAUFFKWLPIY-GFCCVEGCSA-N 0 1 299.349 3.863 20 0 CHADMN Cc1[nH]nc(CN(C)[C@H](C)c2cc3ccccc3o2)c1C ZINC000893919211 1121439988 /nfs/dbraw/zinc/43/99/88/1121439988.db2.gz IZLZRLZQOSHMDD-CYBMUJFWSA-N 0 1 283.375 3.966 20 0 CHADMN C[C@H](c1ccco1)N(C)Cc1cccc2c1NCCC2 ZINC000893931687 1121441089 /nfs/dbraw/zinc/44/10/89/1121441089.db2.gz RFYAECSREJIKNO-CYBMUJFWSA-N 0 1 270.376 3.831 20 0 CHADMN Cc1[nH]nc(CN(C)[C@H](C)c2cccc(Cl)c2)c1C ZINC000893929453 1121441276 /nfs/dbraw/zinc/44/12/76/1121441276.db2.gz TZFXFLWSGXMNHA-GFCCVEGCSA-N 0 1 277.799 3.873 20 0 CHADMN Cc1ccc(CN(C)CCOc2cc(C)cc(C)c2)nc1 ZINC000676539066 1121441917 /nfs/dbraw/zinc/44/19/17/1121441917.db2.gz HCDNPSKHYTUTBF-UHFFFAOYSA-N 0 1 284.403 3.518 20 0 CHADMN Cc1cc(CN2CC[C@H](C(F)(F)F)C2(C)C)cnc1F ZINC000893942078 1121443201 /nfs/dbraw/zinc/44/32/01/1121443201.db2.gz YPNKYCYYGGLJKW-NSHDSACASA-N 0 1 290.304 3.692 20 0 CHADMN CCN(Cc1c(C)ccnc1N)[C@@H](C)c1cccc(OC)c1 ZINC000893951216 1121445925 /nfs/dbraw/zinc/44/59/25/1121445925.db2.gz DYZZLIUQXZJWCK-AWEZNQCLSA-N 0 1 299.418 3.564 20 0 CHADMN CO[C@@H]1CCCN(Cc2cc3ccnc(Cl)c3s2)C1 ZINC000893958452 1121446469 /nfs/dbraw/zinc/44/64/69/1121446469.db2.gz AUVLHNAKVUFDDX-LLVKDONJSA-N 0 1 296.823 3.561 20 0 CHADMN CCN(Cc1c(C)ccnc1N)[C@H](C)c1ccc(F)cc1 ZINC000893965849 1121447376 /nfs/dbraw/zinc/44/73/76/1121447376.db2.gz BKGKPORUVQFHOH-CYBMUJFWSA-N 0 1 287.382 3.694 20 0 CHADMN OCC[C@@H](NCc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000631190950 1128990250 /nfs/dbraw/zinc/99/02/50/1128990250.db2.gz KRIHISLRDKXCMV-MRXNPFEDSA-N 0 1 293.769 3.692 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1ccc(C(F)F)nc1 ZINC000631105764 1128985485 /nfs/dbraw/zinc/98/54/85/1128985485.db2.gz OINIZHZCJJTQQL-LLVKDONJSA-N 0 1 277.318 3.573 20 0 CHADMN COc1ccccc1[C@@H]1CCCCN1Cc1ocnc1C ZINC000894004514 1121454463 /nfs/dbraw/zinc/45/44/63/1121454463.db2.gz SKVKBAWSNUEOOX-HNNXBMFYSA-N 0 1 286.375 3.719 20 0 CHADMN Cc1ncoc1CN1CCC(c2ccccc2F)CC1 ZINC000894040383 1121459119 /nfs/dbraw/zinc/45/91/19/1121459119.db2.gz TXMVZSQFEVFUQT-UHFFFAOYSA-N 0 1 274.339 3.502 20 0 CHADMN CCO[C@@H](CNCc1nc(C)c(C)s1)c1ccccc1 ZINC000894066513 1121464442 /nfs/dbraw/zinc/46/44/42/1121464442.db2.gz DACDDLBGPFOFRZ-HNNXBMFYSA-N 0 1 290.432 3.627 20 0 CHADMN CCC[C@@H]1CCCN(Cc2ccc(Cl)nc2)C1 ZINC000708501767 1121468612 /nfs/dbraw/zinc/46/86/12/1121468612.db2.gz IOIWEXXMSWEWGD-GFCCVEGCSA-N 0 1 252.789 3.747 20 0 CHADMN CC[NH+](CC)c1ccc(Nc2cncc(C(=O)[O-])c2)c(C)c1 ZINC001175842632 1121470282 /nfs/dbraw/zinc/47/02/82/1121470282.db2.gz BLGJXROWESEECS-UHFFFAOYSA-N 0 1 299.374 3.678 20 0 CHADMN CCCC(CCC)C(=O)Nc1cc(C(C)=O)ccc1O ZINC000512549715 1121471189 /nfs/dbraw/zinc/47/11/89/1121471189.db2.gz VSJZXXUPRVQJRL-UHFFFAOYSA-N 0 1 277.364 3.750 20 0 CHADMN Cc1noc([C@H](N[C@H](C)CCCC(C)C)C(C)C)n1 ZINC000168059365 1121477177 /nfs/dbraw/zinc/47/71/77/1121477177.db2.gz KLOXAOMDPXQNHD-TZMCWYRMSA-N 0 1 267.417 3.880 20 0 CHADMN CCCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 ZINC000614111584 1121477324 /nfs/dbraw/zinc/47/73/24/1121477324.db2.gz GWDKGPLZYQZFPW-UHFFFAOYSA-N 0 1 288.347 3.743 20 0 CHADMN COCc1ccc(CN(C)Cc2cc(C)ccc2C)o1 ZINC000432910348 1121478183 /nfs/dbraw/zinc/47/81/83/1121478183.db2.gz MELISRFVUZPFLK-UHFFFAOYSA-N 0 1 273.376 3.675 20 0 CHADMN CC[C@@H]1CCC[C@H]1C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC001129273968 1121480835 /nfs/dbraw/zinc/48/08/35/1121480835.db2.gz HDEBBMGACZXQJS-VXGBXAGGSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)cc1C ZINC000028927379 1121481585 /nfs/dbraw/zinc/48/15/85/1121481585.db2.gz XQISZRWXJYOWQX-UHFFFAOYSA-N 0 1 291.354 3.946 20 0 CHADMN Cc1ccc(CNC(C)(C)c2ccccc2F)c(C)n1 ZINC000429263742 1121488303 /nfs/dbraw/zinc/48/83/03/1121488303.db2.gz KKWZWQJRPJIUQH-UHFFFAOYSA-N 0 1 272.367 3.862 20 0 CHADMN CCCc1ccc(CNCc2cc(C3CC3)nn2C)s1 ZINC000922947284 1121495358 /nfs/dbraw/zinc/49/53/58/1121495358.db2.gz KKMZQRIAEBBGDN-UHFFFAOYSA-N 0 1 289.448 3.601 20 0 CHADMN c1cc(Nc2ccc3scnc3c2)n(-c2ccncc2)n1 ZINC001175912585 1121496560 /nfs/dbraw/zinc/49/65/60/1121496560.db2.gz UGPVEHCALDOVGI-UHFFFAOYSA-N 0 1 293.355 3.621 20 0 CHADMN Cc1cc(N2c3ccc(N)cc3CC[C@H]2C)cc(C)c1N ZINC001175932660 1121500916 /nfs/dbraw/zinc/50/09/16/1121500916.db2.gz ZLGRQXLXRXOFSM-CYBMUJFWSA-N 0 1 281.403 3.941 20 0 CHADMN CCc1onc(C)c1CNCc1cc2ccc(C)cc2[nH]1 ZINC000922981010 1121504585 /nfs/dbraw/zinc/50/45/85/1121504585.db2.gz BZIAJMRGLKFJPD-UHFFFAOYSA-N 0 1 283.375 3.625 20 0 CHADMN [NH3+]Cc1ccc(Nc2cc(Cl)c([O-])cc2Cl)cc1 ZINC001175968468 1121507148 /nfs/dbraw/zinc/50/71/48/1121507148.db2.gz ISLPYHRAYYZBHS-UHFFFAOYSA-N 0 1 283.158 3.901 20 0 CHADMN CC[C@@H](N[C@@H](CC)c1ccn(C)n1)c1ccc(C)cc1 ZINC000543600995 1121509134 /nfs/dbraw/zinc/50/91/34/1121509134.db2.gz UOCGTOJWRAXCIW-CVEARBPZSA-N 0 1 271.408 3.921 20 0 CHADMN CSC[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000429286598 1121509599 /nfs/dbraw/zinc/50/95/99/1121509599.db2.gz SGGHLXCHITUVML-NSHDSACASA-N 0 1 271.376 3.540 20 0 CHADMN C[C@@H]1CCCN(Cc2nc3cc(Cl)ccc3n2C)[C@H]1C ZINC000512652073 1121510613 /nfs/dbraw/zinc/51/06/13/1121510613.db2.gz HVJBHDUAYWBVSC-NEPJUHHUSA-N 0 1 291.826 3.847 20 0 CHADMN CCC1(CC)[C@@H](NCc2ncc(C(C)(C)C)o2)C[C@@H]1OC ZINC000429290380 1121511204 /nfs/dbraw/zinc/51/12/04/1121511204.db2.gz ZNNOMJFECZLNRU-STQMWFEESA-N 0 1 294.439 3.655 20 0 CHADMN Cc1ccc(CN2N=C(c3ccc(Cl)cc3)CC2=O)cc1 ZINC000614186637 1121516438 /nfs/dbraw/zinc/51/64/38/1121516438.db2.gz IEYLUQAUJKTBDQ-UHFFFAOYSA-N 0 1 298.773 3.785 20 0 CHADMN c1ccc(-c2ccc(Nc3ccc4nn[nH]c4c3)nc2)cc1 ZINC001175995717 1121517307 /nfs/dbraw/zinc/51/73/07/1121517307.db2.gz HRDLPSAKJFRKHT-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1ccc(-c2ccc(Nc3ccc4n[nH]nc4c3)nc2)cc1 ZINC001175995717 1121517311 /nfs/dbraw/zinc/51/73/11/1121517311.db2.gz HRDLPSAKJFRKHT-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN COc1cc([C@@H](C)N[C@H](C)c2ccccn2)ccc1F ZINC000152554747 1121517831 /nfs/dbraw/zinc/51/78/31/1121517831.db2.gz JVNGXFRNKWKACS-VXGBXAGGSA-N 0 1 274.339 3.641 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(F)c2ccccc12 ZINC001175955622 1121517842 /nfs/dbraw/zinc/51/78/42/1121517842.db2.gz LNXKLOKYHJQZDH-UHFFFAOYSA-N 0 1 255.296 3.764 20 0 CHADMN Cc1nc(Nc2ccc3nn[nH]c3c2)c(Cl)cc1Cl ZINC001175998472 1121518200 /nfs/dbraw/zinc/51/82/00/1121518200.db2.gz ACABQILYDWHZCS-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1nc(Nc2ccc3n[nH]nc3c2)c(Cl)cc1Cl ZINC001175998472 1121518205 /nfs/dbraw/zinc/51/82/05/1121518205.db2.gz ACABQILYDWHZCS-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN O=C1CC(c2ccc(Cl)cc2)=NN1CCc1ccccc1 ZINC000614189634 1121518805 /nfs/dbraw/zinc/51/88/05/1121518805.db2.gz OFGSUJHXNQJQKN-UHFFFAOYSA-N 0 1 298.773 3.519 20 0 CHADMN c1ccc(-c2ccncc2Nc2ccc3nn[nH]c3c2)cc1 ZINC001175999508 1121519202 /nfs/dbraw/zinc/51/92/02/1121519202.db2.gz XOCGJXOAKQZKAO-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1ccc(-c2ccncc2Nc2ccc3n[nH]nc3c2)cc1 ZINC001175999508 1121519205 /nfs/dbraw/zinc/51/92/05/1121519205.db2.gz XOCGJXOAKQZKAO-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1ccc(-c2ccccc2Nc2ccc3nn[nH]c3c2)nc1 ZINC001176002270 1121519239 /nfs/dbraw/zinc/51/92/39/1121519239.db2.gz JTMJFJZFGWHQCI-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1ccc(-c2ccccc2Nc2ccc3n[nH]nc3c2)nc1 ZINC001176002270 1121519243 /nfs/dbraw/zinc/51/92/43/1121519243.db2.gz JTMJFJZFGWHQCI-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN CC(=O)c1ccc(Cl)c(Nc2ccc3nn[nH]c3c2)c1 ZINC001176002128 1121519658 /nfs/dbraw/zinc/51/96/58/1121519658.db2.gz HBHDTCLDCPYRRT-UHFFFAOYSA-N 0 1 286.722 3.558 20 0 CHADMN CC(=O)c1ccc(Cl)c(Nc2ccc3n[nH]nc3c2)c1 ZINC001176002128 1121519666 /nfs/dbraw/zinc/51/96/66/1121519666.db2.gz HBHDTCLDCPYRRT-UHFFFAOYSA-N 0 1 286.722 3.558 20 0 CHADMN Cc1cc(F)cc(Cl)c1Nc1ccc2nn[nH]c2c1 ZINC001176004900 1121520554 /nfs/dbraw/zinc/52/05/54/1121520554.db2.gz QLFZROLMWFKKGW-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1cc(F)cc(Cl)c1Nc1ccc2n[nH]nc2c1 ZINC001176004900 1121520563 /nfs/dbraw/zinc/52/05/63/1121520563.db2.gz QLFZROLMWFKKGW-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Clc1ccnc2c(Nc3ccc4nn[nH]c4c3)cccc12 ZINC001176003643 1121520579 /nfs/dbraw/zinc/52/05/79/1121520579.db2.gz UJUVZHWJJNPMLA-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1ccnc2c(Nc3ccc4n[nH]nc4c3)cccc12 ZINC001176003643 1121520581 /nfs/dbraw/zinc/52/05/81/1121520581.db2.gz UJUVZHWJJNPMLA-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN c1cc(Nc2ccc(C3CC3)cc2)cc2[nH]nnc12 ZINC001176004533 1121521479 /nfs/dbraw/zinc/52/14/79/1121521479.db2.gz OYSYVWLVMXVZLP-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN c1cc(Nc2ccc(C3CC3)cc2)cc2n[nH]nc12 ZINC001176004533 1121521485 /nfs/dbraw/zinc/52/14/85/1121521485.db2.gz OYSYVWLVMXVZLP-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN CC(=O)c1cccc(Cl)c1Nc1ccc2nn[nH]c2c1 ZINC001176004263 1121521523 /nfs/dbraw/zinc/52/15/23/1121521523.db2.gz HRZCQYPTABPJJL-UHFFFAOYSA-N 0 1 286.722 3.558 20 0 CHADMN CC(=O)c1cccc(Cl)c1Nc1ccc2n[nH]nc2c1 ZINC001176004263 1121521526 /nfs/dbraw/zinc/52/15/26/1121521526.db2.gz HRZCQYPTABPJJL-UHFFFAOYSA-N 0 1 286.722 3.558 20 0 CHADMN Clc1ccc(Nc2ccc3nn[nH]c3c2)c2ncccc12 ZINC001176003597 1121522540 /nfs/dbraw/zinc/52/25/40/1121522540.db2.gz SMMNOURSJZGWMC-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1ccc(Nc2ccc3n[nH]nc3c2)c2ncccc12 ZINC001176003597 1121522545 /nfs/dbraw/zinc/52/25/45/1121522545.db2.gz SMMNOURSJZGWMC-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN CCOc1cc(CNCC(C)(C)F)ccc1OC(F)F ZINC000631192489 1128991030 /nfs/dbraw/zinc/99/10/30/1128991030.db2.gz XQWKOUUQHBHLID-UHFFFAOYSA-N 0 1 291.313 3.524 20 0 CHADMN CC[C@H](NCc1ccc2nccnc2c1)c1nc(C)cs1 ZINC000634960010 1121527202 /nfs/dbraw/zinc/52/72/02/1121527202.db2.gz HXBBPNJDPBTPKU-ZDUSSCGKSA-N 0 1 298.415 3.636 20 0 CHADMN CC[C@](C)(NCc1conc1C)c1ccc(F)cc1 ZINC000631195191 1128991349 /nfs/dbraw/zinc/99/13/49/1128991349.db2.gz UKCWVHKZAXPFGH-HNNXBMFYSA-N 0 1 262.328 3.537 20 0 CHADMN CC[C@](C)(NCc1cn2ccccc2n1)c1ccc(F)cc1 ZINC000631193264 1128991518 /nfs/dbraw/zinc/99/15/18/1128991518.db2.gz CHSPDELCQYCXPR-SFHVURJKSA-N 0 1 297.377 3.888 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])cs2)CC1 ZINC000711457593 1121536966 /nfs/dbraw/zinc/53/69/66/1121536966.db2.gz OKRSZBUSFZDSAH-LBPRGKRZSA-N 0 1 281.421 3.704 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000711487098 1121541553 /nfs/dbraw/zinc/54/15/53/1121541553.db2.gz OIAVGGGCPOVQEM-GFCCVEGCSA-N 0 1 267.394 3.601 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H]1CC2CCC1CC2 ZINC000923230444 1121542446 /nfs/dbraw/zinc/54/24/46/1121542446.db2.gz KBFHETQSOCIJAS-FDWJRUBYSA-N 0 1 291.435 3.530 20 0 CHADMN CSCCSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000187126500 1121547090 /nfs/dbraw/zinc/54/70/90/1121547090.db2.gz BGXIPWJLXOOPNB-UHFFFAOYSA-N 0 1 264.419 3.840 20 0 CHADMN CC(C)CCCN1CCc2nc[nH]c2C12CCCCC2 ZINC001176113303 1121554797 /nfs/dbraw/zinc/55/47/97/1121554797.db2.gz JGOMFAWBMMRSGU-UHFFFAOYSA-N 0 1 275.440 3.863 20 0 CHADMN CC[C@H](CC(F)F)CN1CCS[C@@H](C(F)(F)F)C1 ZINC001176176688 1121563459 /nfs/dbraw/zinc/56/34/59/1121563459.db2.gz RYEOOGZLETXDGY-RKDXNWHRSA-N 0 1 291.329 3.648 20 0 CHADMN [O-]c1cccc(C[NH2+]CC2(c3ccccc3)CC2)c1Cl ZINC000645145281 1121567797 /nfs/dbraw/zinc/56/77/97/1121567797.db2.gz OPXBLEPCPULAAX-UHFFFAOYSA-N 0 1 287.790 3.867 20 0 CHADMN Clc1cscc1CNCc1cccc2c1CCOC2 ZINC000631243647 1128994304 /nfs/dbraw/zinc/99/43/04/1128994304.db2.gz CMUMTFNKQWSTFD-UHFFFAOYSA-N 0 1 293.819 3.764 20 0 CHADMN CC(=O)c1sccc1OC[C@H]1CCCCN1C(C)C ZINC000664009835 1121573334 /nfs/dbraw/zinc/57/33/34/1121573334.db2.gz ODMFRPSBYOOZHK-CYBMUJFWSA-N 0 1 281.421 3.592 20 0 CHADMN CC[C@@H](NC[C@@H](CC(C)C)OC)c1nc(C)cs1 ZINC000419241772 1121577960 /nfs/dbraw/zinc/57/79/60/1121577960.db2.gz HHNUEKRVBDPIKB-CHWSQXEVSA-N 0 1 270.442 3.553 20 0 CHADMN COc1cccc2c1CN(CCCCOC(C)(C)C)C2 ZINC000626022757 1121581764 /nfs/dbraw/zinc/58/17/64/1121581764.db2.gz IUKDWIXIVHEJAL-UHFFFAOYSA-N 0 1 277.408 3.606 20 0 CHADMN CCOC(=O)C1(C)CCN(Cc2cccc(Cl)c2)CC1 ZINC000092823596 1121585129 /nfs/dbraw/zinc/58/51/29/1121585129.db2.gz PZSZPONMRDSZES-UHFFFAOYSA-N 0 1 295.810 3.505 20 0 CHADMN CCCOc1cccc(F)c1Nc1nonc1C1CC1 ZINC001211785428 1121589321 /nfs/dbraw/zinc/58/93/21/1121589321.db2.gz AFYBGLOXFHJDEW-UHFFFAOYSA-N 0 1 277.299 3.619 20 0 CHADMN CCCn1c(C)nnc1CN(C)C1CCC(C(C)C)CC1 ZINC000433171411 1121605013 /nfs/dbraw/zinc/60/50/13/1121605013.db2.gz BFPXYPIOBPJLFT-UHFFFAOYSA-N 0 1 292.471 3.643 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(Oc2ccccc2)nc1 ZINC001176375934 1121618770 /nfs/dbraw/zinc/61/87/70/1121618770.db2.gz KFFKXIBSDLRZFT-UHFFFAOYSA-N 0 1 280.331 3.659 20 0 CHADMN COc1cc(C)ccc1CNCc1scnc1C1CC1 ZINC000487309907 1121619240 /nfs/dbraw/zinc/61/92/40/1121619240.db2.gz CUSIPQRVIRTAGL-UHFFFAOYSA-N 0 1 288.416 3.627 20 0 CHADMN CCCCn1ccnc1-c1cccc(NCc2cnc[nH]2)c1 ZINC000894131354 1121621003 /nfs/dbraw/zinc/62/10/03/1121621003.db2.gz NDEYLBLECTVPQN-UHFFFAOYSA-N 0 1 295.390 3.685 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnc(C)cn1)c1ccccc1 ZINC000411883066 1121629864 /nfs/dbraw/zinc/62/98/64/1121629864.db2.gz APCXHZMTFKPRIC-DZGCQCFKSA-N 0 1 255.365 3.587 20 0 CHADMN Cc1ccc(C=CNc2ccnn2-c2ccncc2)cc1 ZINC001176422785 1121630498 /nfs/dbraw/zinc/63/04/98/1121630498.db2.gz QWYKUICAKLOFLS-WUXMJOGZSA-N 0 1 276.343 3.659 20 0 CHADMN CCc1cccc(NC(=O)c2cccc3nc[nH]c32)c1CC ZINC000489514455 1121636215 /nfs/dbraw/zinc/63/62/15/1121636215.db2.gz ABNYTHMRSACBDR-UHFFFAOYSA-N 0 1 293.370 3.940 20 0 CHADMN CCN(Cc1occc1C)Cc1cccc(NC(C)=O)c1 ZINC000412027131 1121637147 /nfs/dbraw/zinc/63/71/47/1121637147.db2.gz OHDGCGPKITUSKL-UHFFFAOYSA-N 0 1 286.375 3.569 20 0 CHADMN Cc1csc(CN[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)n1 ZINC000412076199 1121641079 /nfs/dbraw/zinc/64/10/79/1121641079.db2.gz NPFXODQUFFHRLK-NEPJUHHUSA-N 0 1 282.453 3.523 20 0 CHADMN CCc1ccc(CN2CCC(=O)[C@@H]3CCCC[C@H]32)cc1 ZINC001204173848 1121641664 /nfs/dbraw/zinc/64/16/64/1121641664.db2.gz KPTOHASPQSBJOJ-IAGOWNOFSA-N 0 1 271.404 3.583 20 0 CHADMN CCc1ccc(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1 ZINC001204173851 1121641801 /nfs/dbraw/zinc/64/18/01/1121641801.db2.gz KPTOHASPQSBJOJ-SJORKVTESA-N 0 1 271.404 3.583 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(-c2cc[nH]n2)o1 ZINC000433320421 1121646101 /nfs/dbraw/zinc/64/61/01/1121646101.db2.gz UKLAWOJIBOWSGQ-INIZCTEOSA-N 0 1 293.370 3.755 20 0 CHADMN CCS[C@@H]1CC[C@H](N(C)Cc2nc3c(s2)CCC3)C1 ZINC000611416651 1121646168 /nfs/dbraw/zinc/64/61/68/1121646168.db2.gz PECYXNDBQSPUHV-NWDGAFQWSA-N 0 1 296.505 3.738 20 0 CHADMN Cc1ccc(CNCc2ccc(-c3cc[nH]n3)o2)c(C)c1 ZINC000433334279 1121649805 /nfs/dbraw/zinc/64/98/05/1121649805.db2.gz GXRNZSLTAPQURK-UHFFFAOYSA-N 0 1 281.359 3.576 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000433344609 1121651759 /nfs/dbraw/zinc/65/17/59/1121651759.db2.gz SMMJXWZGRFUCFV-ZDUSSCGKSA-N 0 1 281.359 3.829 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2)c(C)c1 ZINC000008142006 1121652719 /nfs/dbraw/zinc/65/27/19/1121652719.db2.gz JDTDIBAOEPTTNO-INIZCTEOSA-N 0 1 296.414 3.762 20 0 CHADMN CC[C@@H](NCc1noc(-c2ccsc2)n1)[C@@H]1CC1(C)C ZINC000419322348 1121654625 /nfs/dbraw/zinc/65/46/25/1121654625.db2.gz SFUBBVVANFCOPY-NWDGAFQWSA-N 0 1 291.420 3.712 20 0 CHADMN Oc1cccc(CN2CC[C@@H]2Cc2ccccc2)c1Cl ZINC000508811908 1121657553 /nfs/dbraw/zinc/65/75/53/1121657553.db2.gz MHQSDWCRSUGTHD-OAHLLOKOSA-N 0 1 287.790 3.863 20 0 CHADMN CC1(C)CN(CCCCC(F)(F)F)C(C)(C)CO1 ZINC000676888996 1121658526 /nfs/dbraw/zinc/65/85/26/1121658526.db2.gz NMTVALLVSLWADW-UHFFFAOYSA-N 0 1 267.335 3.608 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419328833 1121660429 /nfs/dbraw/zinc/66/04/29/1121660429.db2.gz AKSSTCWZGQEBSH-ZOBORPQBSA-N 0 1 285.391 3.774 20 0 CHADMN Cc1nnc(CN(C)[C@@H]2CCC[C@@H]2C(C)(C)C)n1C1CC1 ZINC000419331098 1121662873 /nfs/dbraw/zinc/66/28/73/1121662873.db2.gz IXSVTZNQFIELSD-LSDHHAIUSA-N 0 1 290.455 3.568 20 0 CHADMN CC(C)n1ncnc1CN(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419335196 1121664456 /nfs/dbraw/zinc/66/44/56/1121664456.db2.gz OCCIGZIOHSAQKK-UONOGXRCSA-N 0 1 278.444 3.506 20 0 CHADMN CSc1c(F)cccc1NC(=S)NCC1CCC1 ZINC001118437514 1121666056 /nfs/dbraw/zinc/66/60/56/1121666056.db2.gz JZMQROWSEBNWCH-UHFFFAOYSA-N 0 1 284.425 3.634 20 0 CHADMN C[NH+](C)Cc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176669833 1121672089 /nfs/dbraw/zinc/67/20/89/1121672089.db2.gz LPOTZFXUPFXPSA-UHFFFAOYSA-N 0 1 296.292 3.615 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)N(Cc2cn3ccsc3n2)C1 ZINC000513262104 1121676274 /nfs/dbraw/zinc/67/62/74/1121676274.db2.gz QWBSRYNQMLUCCR-XJKSGUPXSA-N 0 1 297.427 3.979 20 0 CHADMN CCN(C(=O)CN(C)CC1CC1)c1cccc2ccccc21 ZINC000052128278 1121677297 /nfs/dbraw/zinc/67/72/97/1121677297.db2.gz JEVNJNSEODCGPV-UHFFFAOYSA-N 0 1 296.414 3.535 20 0 CHADMN CC(C)c1noc(CN(C2CC2)C2CCC(C)CC2)n1 ZINC000052103875 1121679414 /nfs/dbraw/zinc/67/94/14/1121679414.db2.gz SFCXATGMBULDMT-UHFFFAOYSA-N 0 1 277.412 3.736 20 0 CHADMN CCC1CCN([C@H](C)C(=O)Nc2ccc(C)cc2C)CC1 ZINC000052280233 1121682374 /nfs/dbraw/zinc/68/23/74/1121682374.db2.gz IPTOCFFPLJBOSH-OAHLLOKOSA-N 0 1 288.435 3.752 20 0 CHADMN CN(Cc1ccoc1)Cc1cccc(C(F)(F)F)c1 ZINC000345088574 1121693698 /nfs/dbraw/zinc/69/36/98/1121693698.db2.gz DKKQGSTVWMATQX-UHFFFAOYSA-N 0 1 269.266 3.930 20 0 CHADMN CN(Cc1noc(-c2ccccc2)n1)C1CCCCCC1 ZINC000053906734 1121698989 /nfs/dbraw/zinc/69/89/89/1121698989.db2.gz OATKDXDNFOHTAG-UHFFFAOYSA-N 0 1 285.391 3.891 20 0 CHADMN C/C=C(/C)C(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000751364268 1121700304 /nfs/dbraw/zinc/70/03/04/1121700304.db2.gz PDCWFTVFVRFJGD-WDZFZDKYSA-N 0 1 298.390 3.674 20 0 CHADMN CC(C)C(C[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)C(C)C ZINC000261714963 1129003365 /nfs/dbraw/zinc/00/33/65/1129003365.db2.gz JTPLPYHWKCLDJO-KBMXLJTQSA-N 0 1 281.440 3.632 20 0 CHADMN CCO[C@H](C)c1nc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)cs1 ZINC000419369844 1121701836 /nfs/dbraw/zinc/70/18/36/1121701836.db2.gz IMAQZKKGVGVINT-QNWHQSFQSA-N 0 1 282.453 3.717 20 0 CHADMN C[C@H]1CCc2nc(CNC3(C)CC(F)(F)C3)sc2C1 ZINC001119090724 1121705333 /nfs/dbraw/zinc/70/53/33/1121705333.db2.gz LGYOSOFQOLTRHH-VIFPVBQESA-N 0 1 286.391 3.545 20 0 CHADMN C[C@@H](NCc1cnc2c(F)cccc2c1)c1ccccn1 ZINC001177081829 1121709549 /nfs/dbraw/zinc/70/95/49/1121709549.db2.gz RNXWKSJKRKYLBY-GFCCVEGCSA-N 0 1 281.334 3.620 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N1CCCCCC1 ZINC000025407648 1121709968 /nfs/dbraw/zinc/70/99/68/1121709968.db2.gz ZOAPYISPJVRTHQ-CYBMUJFWSA-N 0 1 294.826 3.851 20 0 CHADMN COc1cc([C@@H](C)NCc2ccoc2)ccc1OC(C)C ZINC000727465763 1121720414 /nfs/dbraw/zinc/72/04/14/1121720414.db2.gz RRQISGKOOOFBRA-CYBMUJFWSA-N 0 1 289.375 3.926 20 0 CHADMN C[C@@H](NCc1[nH]nc2ccccc21)c1c(F)cccc1F ZINC000727467043 1121720456 /nfs/dbraw/zinc/72/04/56/1121720456.db2.gz PRXJIRITPJXTJQ-SNVBAGLBSA-N 0 1 287.313 3.692 20 0 CHADMN COc1cc(C)c(CNCc2cc3ccccc3o2)c(C)n1 ZINC001177293853 1121720424 /nfs/dbraw/zinc/72/04/24/1121720424.db2.gz ADXWMRKHYXOIKM-UHFFFAOYSA-N 0 1 296.370 3.743 20 0 CHADMN C[C@H]1CC[C@@H](CNCc2csc(C(F)(F)F)n2)C1 ZINC000894175104 1121722656 /nfs/dbraw/zinc/72/26/56/1121722656.db2.gz VMQOFOJMMRJIHK-DTWKUNHWSA-N 0 1 278.343 3.688 20 0 CHADMN CC[C@H](CNCc1nc(C)cs1)Oc1cccc(C)c1 ZINC001177315137 1121724690 /nfs/dbraw/zinc/72/46/90/1121724690.db2.gz LGOJZCYLHTVKOO-CQSZACIVSA-N 0 1 290.432 3.707 20 0 CHADMN C[C@H](c1ccncc1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773661858 1121726897 /nfs/dbraw/zinc/72/68/97/1121726897.db2.gz CJWCUXGMEMXHMZ-CYBMUJFWSA-N 0 1 299.805 3.980 20 0 CHADMN C[C@H](c1nc([C@H]2Cc3ccccc32)no1)N1CCCCCC1 ZINC000527198200 1121729507 /nfs/dbraw/zinc/72/95/07/1121729507.db2.gz QJHCXOVMFAFREH-CJNGLKHVSA-N 0 1 297.402 3.695 20 0 CHADMN Cc1cccc(OC[C@@H](C)NCc2nc3ccccc3o2)c1 ZINC001177436621 1121729728 /nfs/dbraw/zinc/72/97/28/1121729728.db2.gz FOIFECOKWGQHBI-CQSZACIVSA-N 0 1 296.370 3.693 20 0 CHADMN COc1ccc(CN2CCC3(CC[C@@H](F)C3)CC2)c(F)c1 ZINC001204934126 1121733677 /nfs/dbraw/zinc/73/36/77/1121733677.db2.gz QKRMXAGZXANZRO-CQSZACIVSA-N 0 1 295.373 3.939 20 0 CHADMN COc1ccccc1CN(Cc1ccc(F)cc1)C1CC1 ZINC000057621274 1121737040 /nfs/dbraw/zinc/73/70/40/1121737040.db2.gz UJHQXEMYTPCZQH-UHFFFAOYSA-N 0 1 285.362 3.999 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H]3C[C@@H]3c3cccs3)ccc12 ZINC001177547662 1121739152 /nfs/dbraw/zinc/73/91/52/1121739152.db2.gz ZYLDOPHHEVIJSY-STQMWFEESA-N 0 1 297.383 3.675 20 0 CHADMN CCc1cccc2c1OCC[C@@H]2NCc1scnc1C ZINC001177757798 1121747660 /nfs/dbraw/zinc/74/76/60/1121747660.db2.gz DIUITBOOWWKREM-AWEZNQCLSA-N 0 1 288.416 3.627 20 0 CHADMN CCc1ncc(CN[C@@H]2CSCc3ccccc32)s1 ZINC001177779957 1121748914 /nfs/dbraw/zinc/74/89/14/1121748914.db2.gz SFFRWGAAYGEUPR-CQSZACIVSA-N 0 1 290.457 3.783 20 0 CHADMN CCc1cc(CNCc2ccc(-c3ccccc3)s2)[nH]n1 ZINC001177810147 1121753003 /nfs/dbraw/zinc/75/30/03/1121753003.db2.gz JDTSOBWFGZONLW-UHFFFAOYSA-N 0 1 297.427 3.990 20 0 CHADMN COc1ncc(CN(C)CCC(F)(F)F)c2ccccc21 ZINC001119306764 1121753660 /nfs/dbraw/zinc/75/36/60/1121753660.db2.gz UEWRGZVOHNYZEI-UHFFFAOYSA-N 0 1 298.308 3.628 20 0 CHADMN O=C(/C=C/c1ccc[nH]1)Nc1c(Cl)ccc(O)c1Cl ZINC001177935215 1121757961 /nfs/dbraw/zinc/75/79/61/1121757961.db2.gz LZZDYTKOAHJKSO-ZZXKWVIFSA-N 0 1 297.141 3.679 20 0 CHADMN CCO[C@H](CCNCc1csc(C(C)C)n1)C(C)C ZINC001177943235 1121759271 /nfs/dbraw/zinc/75/92/71/1121759271.db2.gz PSBBKSOKYJQZHI-CQSZACIVSA-N 0 1 284.469 3.807 20 0 CHADMN C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1ncc[nH]1 ZINC000285503967 1121761923 /nfs/dbraw/zinc/76/19/23/1121761923.db2.gz AHRNDUCLXSJIJW-ABAIWWIYSA-N 0 1 273.355 3.741 20 0 CHADMN CCSc1ccc(Cl)cc1NC(=S)NC1CC1 ZINC000729161719 1121762067 /nfs/dbraw/zinc/76/20/67/1121762067.db2.gz FTRRUGCMCPJLBS-UHFFFAOYSA-N 0 1 286.853 3.901 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@@H]2c2ccccc2)no1 ZINC000285615152 1121763174 /nfs/dbraw/zinc/76/31/74/1121763174.db2.gz KBZNDUPWGJGSHR-MLGOLLRUSA-N 0 1 256.349 3.566 20 0 CHADMN Cc1cnc(CN2C[C@@H](C)C[C@@H]2c2ccccc2)o1 ZINC000285580485 1121763476 /nfs/dbraw/zinc/76/34/76/1121763476.db2.gz IDYDTIZRSDRTJW-SWLSCSKDSA-N 0 1 256.349 3.566 20 0 CHADMN C[C@@H](NCCSc1ccc(Cl)cc1)c1ncc[nH]1 ZINC000285628265 1121763611 /nfs/dbraw/zinc/76/36/11/1121763611.db2.gz LEZSFDTXQPFGCN-SNVBAGLBSA-N 0 1 281.812 3.506 20 0 CHADMN Cc1cc(CN2C[C@@H](C)C[C@H]2c2ccccc2)no1 ZINC000285615151 1121764497 /nfs/dbraw/zinc/76/44/97/1121764497.db2.gz KBZNDUPWGJGSHR-LRDDRELGSA-N 0 1 256.349 3.566 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)C1CCCC1)c1ncc[nH]1 ZINC000285950034 1121765947 /nfs/dbraw/zinc/76/59/47/1121765947.db2.gz GDLQTQTUDBCQHY-CJNGLKHVSA-N 0 1 269.392 3.992 20 0 CHADMN Cc1ccc(SC[C@@H](C)N[C@@H](C)c2ncc[nH]2)cc1 ZINC000285977191 1121766236 /nfs/dbraw/zinc/76/62/36/1121766236.db2.gz GJRRWVXRLTUVGW-OLZOCXBDSA-N 0 1 275.421 3.550 20 0 CHADMN CC(C)c1ccc(O[C@H](C)CN[C@H](C)c2ncc[nH]2)cc1 ZINC000287202003 1121769407 /nfs/dbraw/zinc/76/94/07/1121769407.db2.gz WJPZMJIYHKTOMK-ZIAGYGMSSA-N 0 1 287.407 3.651 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](N[C@H](C)c1ncc[nH]1)CC2 ZINC000287311632 1121770137 /nfs/dbraw/zinc/77/01/37/1121770137.db2.gz FABZJZKEHDJMPO-MLGOLLRUSA-N 0 1 269.392 3.871 20 0 CHADMN Clc1ccc(-c2nc(CN3CCCC3)co2)cc1 ZINC000052796717 1121771756 /nfs/dbraw/zinc/77/17/56/1121771756.db2.gz FVOWCCQKLDFFHP-UHFFFAOYSA-N 0 1 262.740 3.591 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1cc(C(C)C)no1 ZINC000169261931 1121772840 /nfs/dbraw/zinc/77/28/40/1121772840.db2.gz MCXDHAIXSPGUNF-CYBMUJFWSA-N 0 1 258.365 3.957 20 0 CHADMN CC(C)c1cc(CN[C@@H]2c3ccccc3C[C@H]2C)on1 ZINC000169236548 1121772856 /nfs/dbraw/zinc/77/28/56/1121772856.db2.gz BOTFOOOQDSHBQL-PXAZEXFGSA-N 0 1 270.376 3.821 20 0 CHADMN O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)C(F)(F)F ZINC000729319169 1121775714 /nfs/dbraw/zinc/77/57/14/1121775714.db2.gz FAABNTGJXSDNTM-GFCCVEGCSA-N 0 1 289.272 3.736 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000261916820 1129008430 /nfs/dbraw/zinc/00/84/30/1129008430.db2.gz HCNNNWLXMSPCOK-HNNXBMFYSA-N 0 1 297.398 3.917 20 0 CHADMN CCOc1ccc(Cl)cc1CN[C@H](C)c1ccc[nH]1 ZINC001178398591 1121783421 /nfs/dbraw/zinc/78/34/21/1121783421.db2.gz SQICZHYBRFSVFM-LLVKDONJSA-N 0 1 278.783 3.918 20 0 CHADMN CCC/C=C/C(=O)Nc1cccc2c1CN(CCC)C2 ZINC000729366861 1121784120 /nfs/dbraw/zinc/78/41/20/1121784120.db2.gz FZXXYYLURBEONZ-UXBLZVDNSA-N 0 1 272.392 3.707 20 0 CHADMN Cc1ncc(CN[C@H](C)c2csc3ccccc32)cn1 ZINC000730020164 1121789421 /nfs/dbraw/zinc/78/94/21/1121789421.db2.gz ZJOMJTKRRBMDKI-LLVKDONJSA-N 0 1 283.400 3.851 20 0 CHADMN CC(C)COc1ccc(CNc2cccc3[nH]nnc32)cc1 ZINC001178748646 1121811610 /nfs/dbraw/zinc/81/16/10/1121811610.db2.gz VUDHEAPUDDOHBE-UHFFFAOYSA-N 0 1 296.374 3.605 20 0 CHADMN CN(C)c1ccc(F)cc1CNCc1coc2ccccc12 ZINC001178783311 1121815547 /nfs/dbraw/zinc/81/55/47/1121815547.db2.gz OWIMJLPCHXLUBS-UHFFFAOYSA-N 0 1 298.361 3.928 20 0 CHADMN Oc1cc(Cl)cc(CNc2cc3c(cn2)CCCC3)c1 ZINC001178801073 1121818221 /nfs/dbraw/zinc/81/82/21/1121818221.db2.gz RXWFFMZAZNZXQC-UHFFFAOYSA-N 0 1 288.778 3.932 20 0 CHADMN Cc1ccc2c(c1C)OC[C@H]2N[C@H]1CCCc2ncccc21 ZINC000631593474 1129011544 /nfs/dbraw/zinc/01/15/44/1129011544.db2.gz IIJAIFXFBQYSTN-ZWKOTPCHSA-N 0 1 294.398 3.799 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN[C@H]1CC1(C)C ZINC001178931517 1121827363 /nfs/dbraw/zinc/82/73/63/1121827363.db2.gz PEDHOOBKVRWXNE-LBPRGKRZSA-N 0 1 262.378 3.600 20 0 CHADMN Cc1ncc(CN[C@@H](c2ccc(C)cc2)C2CCC2)o1 ZINC000414164250 1121835125 /nfs/dbraw/zinc/83/51/25/1121835125.db2.gz ANSGQHULHKDJCZ-QGZVFWFLSA-N 0 1 270.376 3.922 20 0 CHADMN F[C@]1(c2ccccc2)C[C@H]1NCc1cccc2cnccc21 ZINC001178998918 1121838466 /nfs/dbraw/zinc/83/84/66/1121838466.db2.gz UCXNSFBUTPZVCO-MOPGFXCFSA-N 0 1 292.357 3.962 20 0 CHADMN CC(C)SCC[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000619779473 1129012821 /nfs/dbraw/zinc/01/28/21/1129012821.db2.gz XDKLAGUCSSULAU-GFCCVEGCSA-N 0 1 267.413 3.886 20 0 CHADMN COc1ccc2c(c1)CC[C@@H]2N[C@H]1COCc2ccccc21 ZINC000631640374 1129016784 /nfs/dbraw/zinc/01/67/84/1129016784.db2.gz APSFSACUIONDNN-OALUTQOASA-N 0 1 295.382 3.544 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(CC(=O)OCc1ccccc1)C1CC1 ZINC000731104286 1121846511 /nfs/dbraw/zinc/84/65/11/1121846511.db2.gz YDWRUXCSSRXWGO-HUUCEWRRSA-N 0 1 289.419 3.629 20 0 CHADMN CC(C)c1ncc(CNC(=O)c2ccccc2C2CCC2)[nH]1 ZINC001179096709 1121849637 /nfs/dbraw/zinc/84/96/37/1121849637.db2.gz ZVCYCHMDJHVTBO-UHFFFAOYSA-N 0 1 297.402 3.731 20 0 CHADMN CC(C)(C)C(=O)CC1=CCN(Cc2ccccc2)CC1 ZINC001249919674 1121852458 /nfs/dbraw/zinc/85/24/58/1121852458.db2.gz VGFGHZGTULUEHX-UHFFFAOYSA-N 0 1 271.404 3.824 20 0 CHADMN CCc1ccc(C)nc1NCc1cc2ccccc2[nH]c1=O ZINC001179140905 1121853309 /nfs/dbraw/zinc/85/33/09/1121853309.db2.gz UMCMITKTIDZSTB-UHFFFAOYSA-N 0 1 293.370 3.818 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCC(C)(C)C2)n[nH]1 ZINC001179151376 1121853784 /nfs/dbraw/zinc/85/37/84/1121853784.db2.gz AMKNSDMRFAYDQF-ZFWWWQNUSA-N 0 1 289.423 3.598 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)n[nH]1 ZINC001179160307 1121855661 /nfs/dbraw/zinc/85/56/61/1121855661.db2.gz MKVKJXVSZBDKQD-NOLJZWGESA-N 0 1 289.423 3.598 20 0 CHADMN CCOc1cccc(CNCc2ccccc2CC(C)C)n1 ZINC001179222709 1121859574 /nfs/dbraw/zinc/85/95/74/1121859574.db2.gz OCRYMRSQOJJSLN-UHFFFAOYSA-N 0 1 298.430 3.969 20 0 CHADMN CC1(C)CCC[C@@H]1CCNCc1cnn(-c2ccccc2)n1 ZINC001179216024 1121860632 /nfs/dbraw/zinc/86/06/32/1121860632.db2.gz IBXRTDXMJXRHLN-OAHLLOKOSA-N 0 1 298.434 3.573 20 0 CHADMN Cc1cc2cc(CNCc3ccnc(F)c3)oc2cc1C ZINC001179284838 1121865336 /nfs/dbraw/zinc/86/53/36/1121865336.db2.gz AANXYHCWBRHYOF-UHFFFAOYSA-N 0 1 284.334 3.874 20 0 CHADMN Cc1ccccc1-n1nccc1CN[C@@H]1CCCC[C@@H]1F ZINC001179303952 1121868971 /nfs/dbraw/zinc/86/89/71/1121868971.db2.gz FBOKXHBZTNEMTP-JKSUJKDBSA-N 0 1 287.382 3.551 20 0 CHADMN C[C@H](C1CC1)[N@@H+](CCCCC(=O)[O-])Cc1ccccc1 ZINC000262212754 1129015191 /nfs/dbraw/zinc/01/51/91/1129015191.db2.gz JEPIMRFTJQFDCM-CQSZACIVSA-N 0 1 275.392 3.542 20 0 CHADMN CC1(C)CCN(Cn2ccc(-c3cccs3)n2)CC1 ZINC000731660190 1121877333 /nfs/dbraw/zinc/87/73/33/1121877333.db2.gz QEBLSQPKIVTRON-UHFFFAOYSA-N 0 1 275.421 3.691 20 0 CHADMN CN(C)Cc1cccc(CCOc2ccccc2)c1F ZINC001249938619 1121887476 /nfs/dbraw/zinc/88/74/76/1121887476.db2.gz HOSWJRLPDFCFAS-UHFFFAOYSA-N 0 1 273.351 3.509 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000731864708 1121890718 /nfs/dbraw/zinc/89/07/18/1121890718.db2.gz DORIUWJCQUAQNN-UHFFFAOYSA-N 0 1 288.435 3.626 20 0 CHADMN CCOc1ccc(CNCc2cccc3c2OCC3)c(C)c1 ZINC001179658663 1121896090 /nfs/dbraw/zinc/89/60/90/1121896090.db2.gz JQFLPGPVVPOXNJ-UHFFFAOYSA-N 0 1 297.398 3.618 20 0 CHADMN CC(=CC(=O)Nc1ccc2nc[nH]c2c1)c1cccc(F)c1 ZINC000732064635 1121906652 /nfs/dbraw/zinc/90/66/52/1121906652.db2.gz XCOHSSUXFCOARY-XFFZJAGNSA-N 0 1 295.317 3.744 20 0 CHADMN C[C@H]1CC(C)(C)C[C@H]1NCc1nc(C(C)(C)C)co1 ZINC001179764394 1121909597 /nfs/dbraw/zinc/90/95/97/1121909597.db2.gz SYUPVOHKWUXNDK-NWDGAFQWSA-N 0 1 264.413 3.886 20 0 CHADMN CC(C)=CCN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000732210349 1121910508 /nfs/dbraw/zinc/91/05/08/1121910508.db2.gz RWXWWQCCOPVJST-INMHGKMJSA-N 0 1 259.393 3.803 20 0 CHADMN C[C@H](NC[C@@H]1CCc2ccccc21)c1nc(C(C)(C)C)no1 ZINC000732228346 1121912281 /nfs/dbraw/zinc/91/22/81/1121912281.db2.gz LVKVKPPXEHLIMX-JSGCOSHPSA-N 0 1 299.418 3.748 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccco3)C2)nc2ccccc12 ZINC000732205102 1121912866 /nfs/dbraw/zinc/91/28/66/1121912866.db2.gz ARUQDKDJAGPLKC-AWEZNQCLSA-N 0 1 293.370 3.521 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@H]2C[C@H]2C2CCCC2)c1Cl ZINC001179817957 1121913060 /nfs/dbraw/zinc/91/30/60/1121913060.db2.gz SVWGMUHDLUEVAF-KGLIPLIRSA-N 0 1 279.811 3.962 20 0 CHADMN C[C@H](NCC(C)(C)F)c1ccccc1OC(F)F ZINC000631657371 1129017944 /nfs/dbraw/zinc/01/79/44/1129017944.db2.gz CPPJLFYFYIHHSD-VIFPVBQESA-N 0 1 261.287 3.687 20 0 CHADMN COc1cccc2cc([C@@H](C)NCC(C)(C)F)oc21 ZINC000631657278 1129018153 /nfs/dbraw/zinc/01/81/53/1129018153.db2.gz ASQIYANBPWGNLB-SNVBAGLBSA-N 0 1 265.328 3.840 20 0 CHADMN COc1ccc(CN[C@H](c2ccccc2)C2CCC2)o1 ZINC001119942988 1121917636 /nfs/dbraw/zinc/91/76/36/1121917636.db2.gz IPDHSDNNVXGBDF-QGZVFWFLSA-N 0 1 271.360 3.919 20 0 CHADMN CC[C@@H](c1ccccc1)N1CCN(Cc2cc(C)co2)CC1 ZINC001179882052 1121922869 /nfs/dbraw/zinc/92/28/69/1121922869.db2.gz NEZIZIPZTJKAJI-IBGZPJMESA-N 0 1 298.430 3.857 20 0 CHADMN CC/C=C(\C)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732545249 1121923926 /nfs/dbraw/zinc/92/39/26/1121923926.db2.gz XMKOOPRKFQRWIX-CYNRKNSPSA-N 0 1 291.782 3.750 20 0 CHADMN CC(C)CCC(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732547727 1121925662 /nfs/dbraw/zinc/92/56/62/1121925662.db2.gz QQHZIJKCWBBNHJ-JTQLQIEISA-N 0 1 293.798 3.830 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cncc(OC)c1C ZINC001179930461 1121925876 /nfs/dbraw/zinc/92/58/76/1121925876.db2.gz BQCDRWRLSJHBHR-GOSISDBHSA-N 0 1 296.414 3.908 20 0 CHADMN C[C@H]1CCN[C@H](c2nc(-c3cccc4ccccc43)no2)C1 ZINC000262515446 1129018908 /nfs/dbraw/zinc/01/89/08/1129018908.db2.gz NMBIQOTYBOQJHY-LRDDRELGSA-N 0 1 293.370 3.950 20 0 CHADMN CCC/C=C/C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732559851 1121928350 /nfs/dbraw/zinc/92/83/50/1121928350.db2.gz SBNDNCYPHAARJZ-PORFMDCZSA-N 0 1 291.782 3.750 20 0 CHADMN C[C@H](Cc1cccs1)[N@@H+](C)Cc1ccc([O-])c(F)c1F ZINC001180057450 1121943367 /nfs/dbraw/zinc/94/33/67/1121943367.db2.gz FCYGRLGIHLKKJR-SNVBAGLBSA-N 0 1 297.370 3.795 20 0 CHADMN CSC(C)(C)CCN(CC(=O)OC(C)(C)C)C(C)C ZINC001180058476 1121943883 /nfs/dbraw/zinc/94/38/83/1121943883.db2.gz RXDHSKVCLIGHPP-UHFFFAOYSA-N 0 1 289.485 3.570 20 0 CHADMN CS[C@H]1CC[C@H](N(C)Cc2c(F)cc(C)cc2F)C1 ZINC001180071615 1121945571 /nfs/dbraw/zinc/94/55/71/1121945571.db2.gz DFIUCYLRVOEEQI-RYUDHWBXSA-N 0 1 285.403 3.989 20 0 CHADMN C[C@@H](CN1CCOC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000501087307 1121951675 /nfs/dbraw/zinc/95/16/75/1121951675.db2.gz GKOJAXYBGTXUAR-NWDGAFQWSA-N 0 1 287.325 3.530 20 0 CHADMN C[C@H]1c2cccn2CCN1CCSC1CCCCC1 ZINC000501144174 1121957706 /nfs/dbraw/zinc/95/77/06/1121957706.db2.gz UFCGZOHRQSZTSR-AWEZNQCLSA-N 0 1 278.465 3.931 20 0 CHADMN C[C@@H]1CCC[C@H](C)CN1Cc1cnc(Cl)s1 ZINC000079325585 1129021457 /nfs/dbraw/zinc/02/14/57/1129021457.db2.gz YSLYPVOTYIHTQM-VHSXEESVSA-N 0 1 258.818 3.807 20 0 CHADMN Cn1cc(CN[C@@H]2CCCC[C@H]2F)c(C2CCCCC2)n1 ZINC000419814289 1121969820 /nfs/dbraw/zinc/96/98/20/1121969820.db2.gz IECGPEJQWQAQDY-HZPDHXFCSA-N 0 1 293.430 3.838 20 0 CHADMN C[NH+](C)Cc1ccccc1Nc1cc([O-])c(F)c(F)c1F ZINC001249964640 1121979367 /nfs/dbraw/zinc/97/93/67/1121979367.db2.gz JTQMDQJHENYCBZ-UHFFFAOYSA-N 0 1 296.292 3.615 20 0 CHADMN COc1cnc(F)c(C[N@H+]2CCCCC[C@H]2C(C)C)c1 ZINC001180331650 1121980458 /nfs/dbraw/zinc/98/04/58/1121980458.db2.gz ITBDHSRNSYPWNY-HNNXBMFYSA-N 0 1 280.387 3.630 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(O)c2)cc(Cl)n1 ZINC000401811247 1121991986 /nfs/dbraw/zinc/99/19/86/1121991986.db2.gz DHTVHCUAFGQQBU-LLVKDONJSA-N 0 1 276.767 3.600 20 0 CHADMN Cc1ccc2ccccc2c1NC(=O)[C@@H](C)N1CCCC1 ZINC001180575549 1121996359 /nfs/dbraw/zinc/99/63/59/1121996359.db2.gz GJMYLULFBFJYED-CQSZACIVSA-N 0 1 282.387 3.571 20 0 CHADMN CCc1ncc(CN[C@]2(c3cccc(C)c3)C[C@H]2CC)cn1 ZINC000414451907 1122000123 /nfs/dbraw/zinc/00/01/23/1122000123.db2.gz OJYRLOZEODGAFS-VQIMIIECSA-N 0 1 295.430 3.762 20 0 CHADMN CCc1ncc(CN[C@H]2CCc3sc(Cl)cc32)cn1 ZINC000414452852 1122004688 /nfs/dbraw/zinc/00/46/88/1122004688.db2.gz MFVHWNKVVBUGCN-NSHDSACASA-N 0 1 293.823 3.531 20 0 CHADMN COc1cc(CN2CC[C@H](C)C(C)(C)C2)c(Cl)cc1O ZINC001180672454 1122005117 /nfs/dbraw/zinc/00/51/17/1122005117.db2.gz HTXKXCKBGQVYNK-NSHDSACASA-N 0 1 297.826 3.922 20 0 CHADMN CCCn1cc(CN2C[C@@H](C)C[C@H]2c2cccnc2)c(C)n1 ZINC001180666123 1122005612 /nfs/dbraw/zinc/00/56/12/1122005612.db2.gz QXKIHYXQHYJXKT-KSSFIOAISA-N 0 1 298.434 3.580 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccccc2N(C)C)o1 ZINC000631727464 1129024705 /nfs/dbraw/zinc/02/47/05/1129024705.db2.gz BCYQCIXOMSUHDS-CYBMUJFWSA-N 0 1 258.365 3.505 20 0 CHADMN C[C@@H]1CCN(Cc2nc3cc(Cl)ccc3n2C)C[C@@H]1C ZINC000501811666 1122010538 /nfs/dbraw/zinc/01/05/38/1122010538.db2.gz IGJTVMBEDQDRQN-NEPJUHHUSA-N 0 1 291.826 3.705 20 0 CHADMN C[C@H]1CCN(Cc2csc(C(C)(C)C)n2)C[C@H]1C ZINC000501794819 1122010910 /nfs/dbraw/zinc/01/09/10/1122010910.db2.gz XIUJPAOOFNMRNI-NWDGAFQWSA-N 0 1 266.454 3.919 20 0 CHADMN CC(C)C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccccn1 ZINC000631754729 1129027904 /nfs/dbraw/zinc/02/79/04/1129027904.db2.gz PDCVPPMLKDUYHT-RAIGVLPGSA-N 0 1 272.314 3.709 20 0 CHADMN COc1ccc2c(c1F)CC[C@H]2NCc1ccc(C)o1 ZINC000631730429 1129025093 /nfs/dbraw/zinc/02/50/93/1129025093.db2.gz UFACCDXSZRZFMS-CQSZACIVSA-N 0 1 275.323 3.513 20 0 CHADMN Cc1cccc(-c2noc(CN3CC[C@H](C)[C@@H](C)C3)n2)c1 ZINC000501815118 1122015403 /nfs/dbraw/zinc/01/54/03/1122015403.db2.gz MMDGCNKXTGKSDC-KBPBESRZSA-N 0 1 285.391 3.523 20 0 CHADMN COc1ccc2c(c1F)CC[C@@H]2NCc1ccc(C)o1 ZINC000631730428 1129025338 /nfs/dbraw/zinc/02/53/38/1129025338.db2.gz UFACCDXSZRZFMS-AWEZNQCLSA-N 0 1 275.323 3.513 20 0 CHADMN Clc1cccc(OCCN2CCc3sccc3C2)c1 ZINC000501870934 1122019739 /nfs/dbraw/zinc/01/97/39/1122019739.db2.gz NOYXHNLWQZBLJG-UHFFFAOYSA-N 0 1 293.819 3.839 20 0 CHADMN Cc1c(Cl)ccc(CN2CCC[C@]2(C)CO)c1Cl ZINC001180917272 1122022894 /nfs/dbraw/zinc/02/28/94/1122022894.db2.gz OUDMMAVMINNUFM-CQSZACIVSA-N 0 1 288.218 3.649 20 0 CHADMN C[C@H](CC1CCC1)N[C@H](c1ncc[nH]1)c1ccccc1 ZINC000631738576 1129026219 /nfs/dbraw/zinc/02/62/19/1129026219.db2.gz PSCWTQPEUMKRCM-CJNGLKHVSA-N 0 1 269.392 3.667 20 0 CHADMN Fc1cccc(CN2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420938210 1122046707 /nfs/dbraw/zinc/04/67/07/1122046707.db2.gz ALTXAUSCTMTDCD-LBPRGKRZSA-N 0 1 275.289 3.990 20 0 CHADMN FC(F)(F)[C@@H]1C[C@H]1N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000631754399 1129027998 /nfs/dbraw/zinc/02/79/98/1129027998.db2.gz HBRUSBZGGWATPP-JHJVBQTASA-N 0 1 297.320 3.973 20 0 CHADMN CC(C)[C@H](C)C(=O)N1CCC(c2n[nH]c3ccccc32)CC1 ZINC001181496511 1122058507 /nfs/dbraw/zinc/05/85/07/1122058507.db2.gz WDKYLXXDGSBCRT-ZDUSSCGKSA-N 0 1 299.418 3.561 20 0 CHADMN CCC(C)(C)NC(=O)CN(C(C)C)[C@@H](C)c1ccsc1 ZINC000420999091 1122059516 /nfs/dbraw/zinc/05/95/16/1122059516.db2.gz BZTZKLDFZIURHV-ZDUSSCGKSA-N 0 1 296.480 3.824 20 0 CHADMN Clc1ccc(CN2CC[C@@]23CCOC3)c2ccccc12 ZINC000421028208 1122060347 /nfs/dbraw/zinc/06/03/47/1122060347.db2.gz WHJAGJAROZPMDN-KRWDZBQOSA-N 0 1 287.790 3.858 20 0 CHADMN CC(C)[C@@H](C)NC(=O)CN(C(C)C)[C@@H](C)c1ccsc1 ZINC000421020069 1122064011 /nfs/dbraw/zinc/06/40/11/1122064011.db2.gz YQBHEPAPYIRLBC-KGLIPLIRSA-N 0 1 296.480 3.680 20 0 CHADMN CC(C)SCCNCc1cncc(Cl)c1Cl ZINC001181598835 1122065505 /nfs/dbraw/zinc/06/55/05/1122065505.db2.gz HFESEMAROBBCQB-UHFFFAOYSA-N 0 1 279.236 3.620 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NC1CCCCCCC1 ZINC000159057042 1122074777 /nfs/dbraw/zinc/07/47/77/1122074777.db2.gz LNWRVHCTYHKFOI-UHFFFAOYSA-N 0 1 277.412 3.684 20 0 CHADMN CO[C@@](C)([C@@H](C)NCc1ncc(C(C)(C)C)s1)C1CC1 ZINC000414502872 1122076326 /nfs/dbraw/zinc/07/63/26/1122076326.db2.gz PTTALFKQSAOVHF-BZNIZROVSA-N 0 1 296.480 3.734 20 0 CHADMN Cc1c(Cl)c(CN2CCC[C@H]2C2CCCC2)nn1C ZINC000421319185 1122092183 /nfs/dbraw/zinc/09/21/83/1122092183.db2.gz KXSCNPIYBYEMKE-AWEZNQCLSA-N 0 1 281.831 3.537 20 0 CHADMN Cc1c(Cl)c(CN2CCC[C@H]3CCCC[C@H]32)nn1C ZINC000421319436 1122092413 /nfs/dbraw/zinc/09/24/13/1122092413.db2.gz MWCQNNMIZSBCBZ-TZMCWYRMSA-N 0 1 281.831 3.537 20 0 CHADMN C[C@H](NCc1cccc(C2CC2)c1)c1cncc(F)c1 ZINC000421346957 1122098409 /nfs/dbraw/zinc/09/84/09/1122098409.db2.gz TXPPBBQQMVHZCN-LBPRGKRZSA-N 0 1 270.351 3.949 20 0 CHADMN CCc1noc(CC)c1CNCc1cccc(C2CC2)c1 ZINC000421345750 1122098423 /nfs/dbraw/zinc/09/84/23/1122098423.db2.gz XRMBTSQQTIQFSX-UHFFFAOYSA-N 0 1 284.403 3.967 20 0 CHADMN C[C@@H](N[C@@H]1CCCn2nccc21)c1csc(Cl)c1 ZINC000631810542 1129031365 /nfs/dbraw/zinc/03/13/65/1129031365.db2.gz VGPGSHOZAYDVAG-MWLCHTKSSA-N 0 1 281.812 3.784 20 0 CHADMN Cc1c(Cl)c(CN[C@H](C)CCCC(F)(F)F)nn1C ZINC000421401450 1122107047 /nfs/dbraw/zinc/10/70/47/1122107047.db2.gz VNRCUJYDMAVYER-MRVPVSSYSA-N 0 1 297.752 3.593 20 0 CHADMN Cc1nn(-c2ccccc2Cl)cc1CN1C[C@H](C)[C@H]1C ZINC001182061205 1122107771 /nfs/dbraw/zinc/10/77/71/1122107771.db2.gz CIYYTWHNLDJTQC-WCQYABFASA-N 0 1 289.810 3.674 20 0 CHADMN CC(C)[C@@H]1N(Cc2c(Cl)n[nH]c2C2CC2)CC12CCC2 ZINC001182101107 1122113431 /nfs/dbraw/zinc/11/34/31/1122113431.db2.gz YPSBDMQGBJZFRE-AWEZNQCLSA-N 0 1 293.842 3.951 20 0 CHADMN CC[N@H+]1CCC[C@@H](Nc2cc(C)c(OC)cc2Cl)C1 ZINC001182141616 1122114984 /nfs/dbraw/zinc/11/49/84/1122114984.db2.gz VSBWHPBGHRVWOR-GFCCVEGCSA-N 0 1 282.815 3.553 20 0 CHADMN CC(C)[C@@H]1N(Cc2ccc(F)c(F)c2)CC12CCOCC2 ZINC000414527197 1122132067 /nfs/dbraw/zinc/13/20/67/1122132067.db2.gz MKOJYAPBIRXWEJ-INIZCTEOSA-N 0 1 295.373 3.602 20 0 CHADMN CCCCN(CCCC)CC(=O)c1ccccc1F ZINC000034989448 1122139493 /nfs/dbraw/zinc/13/94/93/1122139493.db2.gz DQGIPKVCIFKSHG-UHFFFAOYSA-N 0 1 265.372 3.911 20 0 CHADMN CSCCCN1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000502874813 1122151708 /nfs/dbraw/zinc/15/17/08/1122151708.db2.gz JEVGQBFLDBDGQA-OAHLLOKOSA-N 0 1 285.403 3.758 20 0 CHADMN C[C@H](CCNCc1nnc(C2CC2)s1)c1ccccc1 ZINC000414557266 1122158031 /nfs/dbraw/zinc/15/80/31/1122158031.db2.gz PVJBERLVGQGTDU-GFCCVEGCSA-N 0 1 287.432 3.699 20 0 CHADMN CCCn1c(CN[C@@H]2C[C@H]2c2ccco2)nc2ccccc21 ZINC000414562495 1122162836 /nfs/dbraw/zinc/16/28/36/1122162836.db2.gz AZYJEUXSNRLIDS-UKRRQHHQSA-N 0 1 295.386 3.685 20 0 CHADMN Fc1ccc(Cl)cc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000414575022 1122169838 /nfs/dbraw/zinc/16/98/38/1122169838.db2.gz FAYCLOFGPRMLTH-DGCLKSJQSA-N 0 1 265.715 3.718 20 0 CHADMN CCc1noc(C)c1CN[C@@H](C)c1ccccc1C ZINC000271709897 1122171312 /nfs/dbraw/zinc/17/13/12/1122171312.db2.gz PEJKHTBRPVJMOH-LBPRGKRZSA-N 0 1 258.365 3.705 20 0 CHADMN CC1(C)CCC[C@H](C(=O)Nc2ccccc2-c2nnc[nH]2)C1 ZINC000271701368 1122171575 /nfs/dbraw/zinc/17/15/75/1122171575.db2.gz USIPRWMIXVDJBP-LBPRGKRZSA-N 0 1 298.390 3.627 20 0 CHADMN CC[C@H](C)CN[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000271722790 1122172952 /nfs/dbraw/zinc/17/29/52/1122172952.db2.gz UCRLZJDRYUKKLU-WFASDCNBSA-N 0 1 291.826 3.799 20 0 CHADMN Cc1noc(C)c1CN[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000271751620 1122173425 /nfs/dbraw/zinc/17/34/25/1122173425.db2.gz HPJRRWRNPXGMQU-QGZVFWFLSA-N 0 1 288.366 3.980 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cc(C)no2)cc1 ZINC000271755880 1122173690 /nfs/dbraw/zinc/17/36/90/1122173690.db2.gz UOGSDPIYJKDSOQ-UHFFFAOYSA-N 0 1 258.365 3.570 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2C)C(C)C)ncn1 ZINC000271791385 1122174954 /nfs/dbraw/zinc/17/49/54/1122174954.db2.gz WQUHBLFUPGKGKW-KRWDZBQOSA-N 0 1 269.392 3.580 20 0 CHADMN COC1(C)CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000271819046 1122176573 /nfs/dbraw/zinc/17/65/73/1122176573.db2.gz ZTSFPBXHTYHLAD-UHFFFAOYSA-N 0 1 287.325 3.706 20 0 CHADMN CC[C@H](NCc1cnccc1C)c1ccc(F)cc1F ZINC000271828206 1122177872 /nfs/dbraw/zinc/17/78/72/1122177872.db2.gz TUTWKAJGFJWCSZ-INIZCTEOSA-N 0 1 276.330 3.909 20 0 CHADMN CO[C@H](c1ccccc1F)[C@@H](C)N[C@H](C)c1ccco1 ZINC000271855847 1122179491 /nfs/dbraw/zinc/17/94/91/1122179491.db2.gz JJHSBQPKBJJGNQ-HSMVNMDESA-N 0 1 277.339 3.846 20 0 CHADMN CO[C@H](c1ccccc1F)[C@@H](C)NCc1ccc(C)o1 ZINC000271948737 1122183336 /nfs/dbraw/zinc/18/33/36/1122183336.db2.gz CXKXHVSYTZBADA-WBMJQRKESA-N 0 1 277.339 3.593 20 0 CHADMN CCOc1ccc(CN2C[C@@H](CC)OC[C@H]2CC)c(C)c1 ZINC001182756130 1122185238 /nfs/dbraw/zinc/18/52/38/1122185238.db2.gz WSDRWQIZOMUZPO-IAGOWNOFSA-N 0 1 291.435 3.783 20 0 CHADMN c1ccc(COC[C@@H](NC2CSC2)c2ccccc2)cc1 ZINC000679625624 1122185782 /nfs/dbraw/zinc/18/57/82/1122185782.db2.gz JAPNCCVYKKPVTF-GOSISDBHSA-N 0 1 299.439 3.650 20 0 CHADMN CCC[C@@H](CN1CCc2[nH]c3ccc(C)cc3c2C1)OC ZINC001182782323 1122189114 /nfs/dbraw/zinc/18/91/14/1122189114.db2.gz PLQAGYSEZYTHHZ-AWEZNQCLSA-N 0 1 286.419 3.650 20 0 CHADMN COCC[C@@H](NCc1ccc(F)c(F)c1)c1ccc(C)o1 ZINC000272318726 1122196903 /nfs/dbraw/zinc/19/69/03/1122196903.db2.gz PWKBPSKJJCSTPB-OAHLLOKOSA-N 0 1 295.329 3.734 20 0 CHADMN CC(C)[C@@H](CN1CCO[C@](C)(C(F)F)C1)c1ccccc1 ZINC001182990735 1122199294 /nfs/dbraw/zinc/19/92/94/1122199294.db2.gz RTDIVGXIMYPBMX-WBVHZDCISA-N 0 1 297.389 3.782 20 0 CHADMN Cc1ccccc1CNc1cc(OCC2CC2)ccn1 ZINC001161620868 1122202300 /nfs/dbraw/zinc/20/23/00/1122202300.db2.gz JNUURABLJXVAGX-UHFFFAOYSA-N 0 1 268.360 3.791 20 0 CHADMN Cc1ccc(CNCc2cc3c(cccc3O)s2)o1 ZINC001183122527 1122205380 /nfs/dbraw/zinc/20/53/80/1122205380.db2.gz KVFQHHYLPNGJLG-UHFFFAOYSA-N 0 1 273.357 3.798 20 0 CHADMN CCOc1ccc(CN[C@@H](CCOC)c2ccco2)cc1 ZINC000272609520 1122207698 /nfs/dbraw/zinc/20/76/98/1122207698.db2.gz UGFFQTDMGGIDEK-INIZCTEOSA-N 0 1 289.375 3.546 20 0 CHADMN COCC[C@H](NC/C=C/c1ccccc1)c1ccco1 ZINC000272633865 1122209407 /nfs/dbraw/zinc/20/94/07/1122209407.db2.gz YGDZMUGTODBXTM-RDTXFTJFSA-N 0 1 271.360 3.660 20 0 CHADMN CSc1ccccc1CN(C)[C@H](C)c1ccccn1 ZINC000272687457 1122210354 /nfs/dbraw/zinc/21/03/54/1122210354.db2.gz DJDFWZKNXVPGTQ-CYBMUJFWSA-N 0 1 272.417 3.997 20 0 CHADMN Cc1ccn2cc(CN[C@@H]3CCc4cccc(C)c43)nc2c1 ZINC000924947019 1122214152 /nfs/dbraw/zinc/21/41/52/1122214152.db2.gz AEERQHAEWDJGAB-QGZVFWFLSA-N 0 1 291.398 3.728 20 0 CHADMN CC1(C)CN(Cc2cc3nc(Cl)ccc3s2)C1 ZINC001183355867 1122218715 /nfs/dbraw/zinc/21/87/15/1122218715.db2.gz WWDUJZODEAFWQA-UHFFFAOYSA-N 0 1 266.797 3.792 20 0 CHADMN C[C@@H](NC1CCCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000273257338 1122225874 /nfs/dbraw/zinc/22/58/74/1122225874.db2.gz BODAROCMMZAQHZ-SNVBAGLBSA-N 0 1 291.782 3.983 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1coc2ccccc12 ZINC000924949451 1122229316 /nfs/dbraw/zinc/22/93/16/1122229316.db2.gz LFCGEKCXNBCDLI-RYUDHWBXSA-N 0 1 283.375 3.887 20 0 CHADMN C[C@@]1(c2ccccc2)CC[C@H](N2CCn3cccc3C2)C1 ZINC001183737542 1122237769 /nfs/dbraw/zinc/23/77/69/1122237769.db2.gz AEICAVBUGXCACW-PKOBYXMFSA-N 0 1 280.415 3.814 20 0 CHADMN COc1cccc(F)c1CNC[C@H](OC)C1CCCCC1 ZINC001184045278 1122253563 /nfs/dbraw/zinc/25/35/63/1122253563.db2.gz LNHNMJVQJNAGSN-KRWDZBQOSA-N 0 1 295.398 3.519 20 0 CHADMN C[C@@H](Nc1ccnc2cc(F)ccc21)[C@@H]1CCCOC1 ZINC000503295239 1122255737 /nfs/dbraw/zinc/25/57/37/1122255737.db2.gz HSTPLDDFBUATAH-VXGBXAGGSA-N 0 1 274.339 3.601 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@@H](C3CCC3)C2)c1 ZINC000620210343 1129042589 /nfs/dbraw/zinc/04/25/89/1129042589.db2.gz VBHIMTCZFMKMGS-CQSZACIVSA-N 0 1 297.402 3.524 20 0 CHADMN CC(C)OCCC[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000503645640 1122272570 /nfs/dbraw/zinc/27/25/70/1122272570.db2.gz CWZKAGYERRSQHP-UHFFFAOYSA-N 0 1 273.779 3.726 20 0 CHADMN CC(C)OCCCN(C)Cc1ccc(Cl)cc1F ZINC000503645640 1122272573 /nfs/dbraw/zinc/27/25/73/1122272573.db2.gz CWZKAGYERRSQHP-UHFFFAOYSA-N 0 1 273.779 3.726 20 0 CHADMN CCC1(CC)CN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000504043644 1122285135 /nfs/dbraw/zinc/28/51/35/1122285135.db2.gz RNYMSWSNWXEFBS-UHFFFAOYSA-N 0 1 289.423 3.720 20 0 CHADMN FC[C@@H]1CCCN(Cc2ccc(Br)cc2)C1 ZINC000711509484 1122296926 /nfs/dbraw/zinc/29/69/26/1122296926.db2.gz ALPIUNLESOPYID-LBPRGKRZSA-N 0 1 286.188 3.631 20 0 CHADMN CC(C)C[C@H](C)CN1CCO[C@H](c2cccc(F)c2)C1 ZINC001307452531 1122298247 /nfs/dbraw/zinc/29/82/47/1122298247.db2.gz GCGOCGQAHVKZCA-YOEHRIQHSA-N 0 1 279.399 3.881 20 0 CHADMN FC(F)(F)c1ccc(Cl)cc1CCN1CCCC1 ZINC001250168108 1122299041 /nfs/dbraw/zinc/29/90/41/1122299041.db2.gz LVGMBEBULUCOFP-UHFFFAOYSA-N 0 1 277.717 3.997 20 0 CHADMN C[C@@H](c1ccccc1)N(C)[C@H](c1nccn1C)C1CC1 ZINC000637870199 1122302199 /nfs/dbraw/zinc/30/21/99/1122302199.db2.gz COTYLSIDWQGTFS-BBRMVZONSA-N 0 1 269.392 3.564 20 0 CHADMN C[C@@H](NC(=O)Nc1ccc(F)c(F)c1O)c1ccccc1 ZINC001185022324 1122307237 /nfs/dbraw/zinc/30/72/37/1122307237.db2.gz UMHMTAKIQOLTGI-SECBINFHSA-N 0 1 292.285 3.553 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@H]1CCC[C@H](F)C1 ZINC000424747143 1122338460 /nfs/dbraw/zinc/33/84/60/1122338460.db2.gz FSBKNNMJHMFMNY-IUCAKERBSA-N 0 1 271.719 3.512 20 0 CHADMN CC[C@@H](C)CCC(=O)N(Cc1cnc[nH]1)Cc1ccccc1 ZINC001185569090 1122348426 /nfs/dbraw/zinc/34/84/26/1122348426.db2.gz HKFOHRAKRUHWDX-OAHLLOKOSA-N 0 1 299.418 3.765 20 0 CHADMN CCOc1cccc(CN2CCC[C@@H](C)C2)c1OC(F)F ZINC000505346121 1122359034 /nfs/dbraw/zinc/35/90/34/1122359034.db2.gz VQDFTVLCOCWPIS-GFCCVEGCSA-N 0 1 299.361 3.919 20 0 CHADMN C[N@@H+](Cc1ccnn1C1CCC1)C(C)(C)c1ccccc1 ZINC000894294800 1122362270 /nfs/dbraw/zinc/36/22/70/1122362270.db2.gz NSWHAVXLUHUWFP-UHFFFAOYSA-N 0 1 283.419 3.975 20 0 CHADMN CN(Cc1ccnn1C1CCC1)C(C)(C)c1ccccc1 ZINC000894294800 1122362276 /nfs/dbraw/zinc/36/22/76/1122362276.db2.gz NSWHAVXLUHUWFP-UHFFFAOYSA-N 0 1 283.419 3.975 20 0 CHADMN [O-]c1cccc2c(N3CCC[C@H](CCF)C3)cc[nH+]c12 ZINC000664413118 1122365611 /nfs/dbraw/zinc/36/56/11/1122365611.db2.gz BBZQSTUXAWWFOF-GFCCVEGCSA-N 0 1 274.339 3.516 20 0 CHADMN Fc1cc(Cc2cccc3nc[nH]c32)cc(F)c1F ZINC001250234844 1122381180 /nfs/dbraw/zinc/38/11/80/1122381180.db2.gz JEMHAVOUFDAZDL-UHFFFAOYSA-N 0 1 262.234 3.571 20 0 CHADMN CCOC1CC(CSc2nc3ccc(C)cc3[nH]2)C1 ZINC000505455258 1122389589 /nfs/dbraw/zinc/38/95/89/1122389589.db2.gz IXKWAOVDPDYMPY-UHFFFAOYSA-N 0 1 276.405 3.779 20 0 CHADMN COc1ccc(OC(F)F)c(CN2CCCCCC2)c1 ZINC000505462732 1122391241 /nfs/dbraw/zinc/39/12/41/1122391241.db2.gz UNGZXKFABFKRCH-UHFFFAOYSA-N 0 1 285.334 3.673 20 0 CHADMN CC1(C)CCN(Cc2cc(F)ccc2F)CCS1 ZINC000434686251 1122393779 /nfs/dbraw/zinc/39/37/79/1122393779.db2.gz RYKWJXRCTMKKBF-UHFFFAOYSA-N 0 1 271.376 3.682 20 0 CHADMN Fc1cccc(C(F)(F)F)c1CCN1CCCCC1 ZINC001250242496 1122394244 /nfs/dbraw/zinc/39/42/44/1122394244.db2.gz ZZCXJHNNXQIXJO-UHFFFAOYSA-N 0 1 275.289 3.873 20 0 CHADMN Fc1cncc([C@@H](NCc2ccccc2F)C2CC2)c1 ZINC000281151228 1122394566 /nfs/dbraw/zinc/39/45/66/1122394566.db2.gz GMYMEGIKUJZDCB-INIZCTEOSA-N 0 1 274.314 3.601 20 0 CHADMN CCOC1(C)CCN(Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000430089050 1122398062 /nfs/dbraw/zinc/39/80/62/1122398062.db2.gz MOBASWDBGYUKCL-UHFFFAOYSA-N 0 1 290.382 3.698 20 0 CHADMN CC1(C)CN(Cc2cccc3c[nH]nc32)[C@@H]1c1cccnc1 ZINC000430095062 1122403032 /nfs/dbraw/zinc/40/30/32/1122403032.db2.gz AFVXAZQUWPVHPU-QGZVFWFLSA-N 0 1 292.386 3.541 20 0 CHADMN CN(C)Cc1cccc(-c2ccc(F)c3n[nH]cc32)c1F ZINC001205371787 1122405869 /nfs/dbraw/zinc/40/58/69/1122405869.db2.gz XNXUQGOGMZTQDF-UHFFFAOYSA-N 0 1 287.313 3.570 20 0 CHADMN Cc1ccc([C@]2(C)CCN(Cc3nccs3)C2)cc1 ZINC000434750058 1122408909 /nfs/dbraw/zinc/40/89/09/1122408909.db2.gz UNEFRPGBMZEKEP-MRXNPFEDSA-N 0 1 272.417 3.615 20 0 CHADMN Cc1ccccc1[C@H]1CCC[N@H+]1CCOCC(F)(F)F ZINC000505521517 1122413063 /nfs/dbraw/zinc/41/30/63/1122413063.db2.gz WRRMBKHUINVPKU-CQSZACIVSA-N 0 1 287.325 3.711 20 0 CHADMN C[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434893222 1122418558 /nfs/dbraw/zinc/41/85/58/1122418558.db2.gz ACIYHBMKCMRHAA-SQWLQELKSA-N 0 1 289.419 3.595 20 0 CHADMN Cc1ccc(CN2CCN(C)C[C@H]2c2ccccc2)s1 ZINC000434989972 1122426144 /nfs/dbraw/zinc/42/61/44/1122426144.db2.gz DLTJLLRLKKLPJV-KRWDZBQOSA-N 0 1 286.444 3.545 20 0 CHADMN COc1ccc(CN2CC[C@H]2c2ccccc2)c(OC)c1 ZINC000434987923 1122426835 /nfs/dbraw/zinc/42/68/35/1122426835.db2.gz WKSMSLJJHXRACW-KRWDZBQOSA-N 0 1 283.371 3.651 20 0 CHADMN CCCC[C@@H](CC)NCc1noc(-c2ccccc2F)n1 ZINC000435033326 1122430423 /nfs/dbraw/zinc/43/04/23/1122430423.db2.gz JGPFGUYXRPCNGM-GFCCVEGCSA-N 0 1 291.370 3.934 20 0 CHADMN FC1(c2ccccc2)CCN(Cc2ccco2)CC1 ZINC000435059951 1122431163 /nfs/dbraw/zinc/43/11/63/1122431163.db2.gz ZDZGPSJLUBDLHL-UHFFFAOYSA-N 0 1 259.324 3.740 20 0 CHADMN CN(C)c1ccccc1CN(C)Cc1cccc(F)c1 ZINC000505614893 1122438394 /nfs/dbraw/zinc/43/83/94/1122438394.db2.gz ZAYQJTWRAJJWSU-UHFFFAOYSA-N 0 1 272.367 3.524 20 0 CHADMN CC[C@@H](NC(=O)c1n[nH]cc1Cl)c1ccc(C)cc1C ZINC001187849407 1122444083 /nfs/dbraw/zinc/44/40/83/1122444083.db2.gz SRUHDJBKHBRYMX-CYBMUJFWSA-N 0 1 291.782 3.561 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC000514736024 1122445493 /nfs/dbraw/zinc/44/54/93/1122445493.db2.gz ISFZPKHSMWTFQK-GOSISDBHSA-N 0 1 297.398 3.767 20 0 CHADMN Cc1nn(-c2ccccc2)cc1C[N@H+](C)Cc1ccccc1 ZINC000435233402 1122446390 /nfs/dbraw/zinc/44/63/90/1122446390.db2.gz UXGMCVYDDYCTAP-UHFFFAOYSA-N 0 1 291.398 3.813 20 0 CHADMN Cc1nn(-c2ccccc2)cc1CN(C)Cc1ccccc1 ZINC000435233402 1122446393 /nfs/dbraw/zinc/44/63/93/1122446393.db2.gz UXGMCVYDDYCTAP-UHFFFAOYSA-N 0 1 291.398 3.813 20 0 CHADMN COc1cccc([C@@H]2CCCN2Cc2cncn2C(C)C)c1 ZINC000425327996 1122456037 /nfs/dbraw/zinc/45/60/37/1122456037.db2.gz QKNSLTCZGCGSCA-SFHVURJKSA-N 0 1 299.418 3.810 20 0 CHADMN CC(C)n1cncc1CN1CCC[C@H]1c1cccs1 ZINC000425327025 1122456150 /nfs/dbraw/zinc/45/61/50/1122456150.db2.gz RALGUOYOFGAHBQ-AWEZNQCLSA-N 0 1 275.421 3.863 20 0 CHADMN Cc1cccc(CN2CCn3cccc3[C@H]2C)c1C ZINC000505684933 1122463382 /nfs/dbraw/zinc/46/33/82/1122463382.db2.gz TWBKLFBJJDUDCM-OAHLLOKOSA-N 0 1 254.377 3.682 20 0 CHADMN CCCOc1ccc2cc(CCN3CCOCC3)ccc2c1 ZINC001250276559 1122464358 /nfs/dbraw/zinc/46/43/58/1122464358.db2.gz IAZFZQOYGFXWOB-UHFFFAOYSA-N 0 1 299.414 3.503 20 0 CHADMN C[C@H]1CN(Cc2cc3ccccc3o2)CC2(CCC2)O1 ZINC000514936790 1122465796 /nfs/dbraw/zinc/46/57/96/1122465796.db2.gz QODSPVBNDHJOJJ-ZDUSSCGKSA-N 0 1 271.360 3.576 20 0 CHADMN CC[C@H](C)c1ccccc1NS(=O)(=O)c1ccoc1 ZINC001188569445 1122467796 /nfs/dbraw/zinc/46/77/96/1122467796.db2.gz KYESEGOZDBSRSS-NSHDSACASA-N 0 1 279.361 3.594 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2n[nH]cc2c1)c1ccoc1 ZINC000515079045 1122474698 /nfs/dbraw/zinc/47/46/98/1122474698.db2.gz PVDXIAZRFRBXDT-WDEREUQCSA-N 0 1 255.321 3.568 20 0 CHADMN CCOCC1CCN(Cc2cc(F)ccc2Cl)CC1 ZINC001138675172 1129057233 /nfs/dbraw/zinc/05/72/33/1129057233.db2.gz NQTPIIHGZSPRTF-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN CC[C@H](SCCN1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001188940069 1122480718 /nfs/dbraw/zinc/48/07/18/1122480718.db2.gz GQPQIIINDVYJEH-ZOBUZTSGSA-N 0 1 293.476 3.980 20 0 CHADMN CCC(C)(C)N(C)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000473568040 1122481463 /nfs/dbraw/zinc/48/14/63/1122481463.db2.gz ILYPAABYTHEGPJ-UHFFFAOYSA-N 0 1 299.418 3.954 20 0 CHADMN CSc1ccc2nc(-c3ccc(C)cn3)[nH]c2c1 ZINC000435682752 1122481622 /nfs/dbraw/zinc/48/16/22/1122481622.db2.gz FTZDNVJEVVPVEK-UHFFFAOYSA-N 0 1 255.346 3.655 20 0 CHADMN Cc1cnc([C@H](C)NCCSC(C)(C)C)s1 ZINC000284410473 1122482107 /nfs/dbraw/zinc/48/21/07/1122482107.db2.gz NVOQYRAHTLKMGB-JTQLQIEISA-N 0 1 258.456 3.634 20 0 CHADMN Fc1ccccc1[C@H]1C[C@H](NCc2ncc(Cl)s2)C1 ZINC000435779019 1122489313 /nfs/dbraw/zinc/48/93/13/1122489313.db2.gz OXCAQMMMHMUEDA-MGCOHNPYSA-N 0 1 296.798 3.971 20 0 CHADMN C[C@@H](NCCO[C@@H]1CC1(F)F)c1c(F)cccc1Cl ZINC000660200298 1129058049 /nfs/dbraw/zinc/05/80/49/1129058049.db2.gz IFNPFPBDDMVQOT-LDYMZIIASA-N 0 1 293.716 3.554 20 0 CHADMN C1=C[C@@H]2C[C@H]1C[C@H]2CSc1nc(Cc2ccccc2)n[nH]1 ZINC001189182673 1122490944 /nfs/dbraw/zinc/49/09/44/1122490944.db2.gz IZIJTAZHUBNHGQ-ZNMIVQPWSA-N 0 1 297.427 3.700 20 0 CHADMN C1=C[C@@H]2C[C@H]1C[C@H]2CSc1n[nH]c(Cc2ccccc2)n1 ZINC001189182673 1122490945 /nfs/dbraw/zinc/49/09/45/1122490945.db2.gz IZIJTAZHUBNHGQ-ZNMIVQPWSA-N 0 1 297.427 3.700 20 0 CHADMN FCC1(NCc2cc(F)cc(Br)c2)CCC1 ZINC000515383061 1122495904 /nfs/dbraw/zinc/49/59/04/1122495904.db2.gz PGPBBOGSXMLZOP-UHFFFAOYSA-N 0 1 290.151 3.570 20 0 CHADMN Cc1nc2ccc(CSCC(=O)c3ccccc3)cc2[nH]1 ZINC001189640359 1122506806 /nfs/dbraw/zinc/50/68/06/1122506806.db2.gz HTNSCIGNNOAJLR-UHFFFAOYSA-N 0 1 296.395 3.987 20 0 CHADMN CCC(CC)CN(CC)Cc1noc(-c2ccccc2)n1 ZINC000515546442 1122507510 /nfs/dbraw/zinc/50/75/10/1122507510.db2.gz UWJBYOGKNHPYPZ-UHFFFAOYSA-N 0 1 287.407 3.995 20 0 CHADMN C[C@@H](NC[C@H]1CCC2(CCCCC2)O1)c1cscn1 ZINC000515539753 1122508016 /nfs/dbraw/zinc/50/80/16/1122508016.db2.gz MEWISSCKODWFJX-CHWSQXEVSA-N 0 1 280.437 3.676 20 0 CHADMN CC(C)(C)[C@H]1CN(C([O-])=[NH+]c2ccncc2)c2ccccc21 ZINC000436107885 1122513649 /nfs/dbraw/zinc/51/36/49/1122513649.db2.gz HWHRNPVFDJDXER-HNNXBMFYSA-N 0 1 295.386 3.685 20 0 CHADMN CO[C@H](CN1CCCC[C@H]1c1nc2ccccc2[nH]1)C1CC1 ZINC000425470910 1122516045 /nfs/dbraw/zinc/51/60/45/1122516045.db2.gz FWHBDOVPBKSXMJ-DLBZAZTESA-N 0 1 299.418 3.515 20 0 CHADMN COc1ccc(CN2CCC=C(C)C2)cc1Cl ZINC000436252347 1122527452 /nfs/dbraw/zinc/52/74/52/1122527452.db2.gz IMTLBGUHIMPPHV-UHFFFAOYSA-N 0 1 251.757 3.501 20 0 CHADMN Cc1cnc(C(C)(C)NC[C@@]2(C)CC2(Cl)Cl)s1 ZINC000828816519 1122529373 /nfs/dbraw/zinc/52/93/73/1122529373.db2.gz YSSIXQPEMAIHKJ-LLVKDONJSA-N 0 1 293.263 3.860 20 0 CHADMN Fc1cccc2[nH]c(CN[C@H]3CCOc4ccccc43)cc21 ZINC000436277929 1122529746 /nfs/dbraw/zinc/52/97/46/1122529746.db2.gz AQCYMJYAGKABRT-INIZCTEOSA-N 0 1 296.345 3.920 20 0 CHADMN C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1cnn(C)c1 ZINC000505785906 1122533072 /nfs/dbraw/zinc/53/30/72/1122533072.db2.gz WUTRSSCNJMBDJI-NSHDSACASA-N 0 1 297.324 3.632 20 0 CHADMN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)Cc1cnn(C)c1 ZINC000505785906 1122533074 /nfs/dbraw/zinc/53/30/74/1122533074.db2.gz WUTRSSCNJMBDJI-NSHDSACASA-N 0 1 297.324 3.632 20 0 CHADMN CSC[C@H](NCCF)c1ccc(C(F)(F)F)cc1 ZINC000436318462 1122537692 /nfs/dbraw/zinc/53/76/92/1122537692.db2.gz YCACITSXGKTGCL-NSHDSACASA-N 0 1 281.318 3.669 20 0 CHADMN CO[C@H]1CC[C@H](N(C)Cc2c(Cl)cccc2Cl)C1 ZINC001190560949 1122542741 /nfs/dbraw/zinc/54/27/41/1122542741.db2.gz MXHFIMWGEPJWRP-QWRGUYRKSA-N 0 1 288.218 3.993 20 0 CHADMN C[C@@H]1COCCN1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001138681602 1129061644 /nfs/dbraw/zinc/06/16/44/1129061644.db2.gz FJJQCZXNCDMYGP-CQSZACIVSA-N 0 1 285.362 3.713 20 0 CHADMN CC(C)N(Cc1ccco1)C[C@H]1COC2(CCCCC2)O1 ZINC001190605523 1122547762 /nfs/dbraw/zinc/54/77/62/1122547762.db2.gz NRZNJYZRHHAAGL-INIZCTEOSA-N 0 1 293.407 3.566 20 0 CHADMN Cc1ccc2nc(NC(=O)CCCc3cccs3)[nH]c2c1 ZINC000515889877 1122549399 /nfs/dbraw/zinc/54/93/99/1122549399.db2.gz LPPFKGWRXCHHSR-UHFFFAOYSA-N 0 1 299.399 3.894 20 0 CHADMN Fc1ccc2c(c1)CCC[C@H]2NCc1cccc(F)n1 ZINC000775414467 1122557655 /nfs/dbraw/zinc/55/76/55/1122557655.db2.gz MKGZCLBMBCQEBW-OAHLLOKOSA-N 0 1 274.314 3.527 20 0 CHADMN C[N@@H+](Cc1cc([O-])c(Cl)c(F)c1F)CC(C)(C)C ZINC001250408409 1122561052 /nfs/dbraw/zinc/56/10/52/1122561052.db2.gz GQKSCOYBKAUJDZ-UHFFFAOYSA-N 0 1 277.742 3.802 20 0 CHADMN COc1c(F)cc(F)cc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001143561571 1122561736 /nfs/dbraw/zinc/56/17/36/1122561736.db2.gz URCQLAIOAMZOTP-NHYWBVRUSA-N 0 1 281.346 3.738 20 0 CHADMN FC1(F)CCC[C@H](Nc2ccc3c(n2)CCCC3)C1 ZINC000712347032 1122561807 /nfs/dbraw/zinc/56/18/07/1122561807.db2.gz QDVLJXJHJBSEJK-LBPRGKRZSA-N 0 1 266.335 3.950 20 0 CHADMN CCC1(CNC(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000436587070 1122564485 /nfs/dbraw/zinc/56/44/85/1122564485.db2.gz VGKCYOWWLSOECW-UHFFFAOYSA-N 0 1 288.174 3.619 20 0 CHADMN Cc1ccc2c(c1)CN(C(=O)c1ccc(O)c(Cl)c1)C2 ZINC000436600396 1122565708 /nfs/dbraw/zinc/56/57/08/1122565708.db2.gz HLLVCKBITVKASJ-UHFFFAOYSA-N 0 1 287.746 3.510 20 0 CHADMN c1cc(CN(Cc2ccccc2)C[C@@H]2CC[C@H]3C[C@H]3C2)n[nH]1 ZINC001191056791 1122567113 /nfs/dbraw/zinc/56/71/13/1122567113.db2.gz HKJKQOUZAKQWAP-FGTMMUONSA-N 0 1 295.430 3.848 20 0 CHADMN C[C@H]1CCN(Cc2cc(F)ccc2Br)[C@H]1C ZINC001191486252 1122602061 /nfs/dbraw/zinc/60/20/61/1122602061.db2.gz NSXKJOZNKKJGJS-UWVGGRQHSA-N 0 1 286.188 3.819 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)NC1CCCCCC1 ZINC001191269121 1122587905 /nfs/dbraw/zinc/58/79/05/1122587905.db2.gz YIDVFHVWVUANDJ-UHFFFAOYSA-N 0 1 282.771 3.890 20 0 CHADMN CCCCN(CCCC)Cc1nc2c(o1)CCCC2 ZINC001191297212 1122589565 /nfs/dbraw/zinc/58/95/65/1122589565.db2.gz BGDINWUIDNOICJ-UHFFFAOYSA-N 0 1 264.413 3.956 20 0 CHADMN Cc1ccccc1[C@H]1CN(CC2CC3(CCC3)C2)CCO1 ZINC001191344041 1122592031 /nfs/dbraw/zinc/59/20/31/1122592031.db2.gz UTQBGOAULAEEQQ-GOSISDBHSA-N 0 1 285.431 3.949 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CC2CC3(CCC3)C2)CCO1 ZINC001191344042 1122592131 /nfs/dbraw/zinc/59/21/31/1122592131.db2.gz UTQBGOAULAEEQQ-SFHVURJKSA-N 0 1 285.431 3.949 20 0 CHADMN CC(C)=CC[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC001191367706 1122596296 /nfs/dbraw/zinc/59/62/96/1122596296.db2.gz UCUHDLKENAALFI-KRWDZBQOSA-N 0 1 272.436 3.780 20 0 CHADMN CCCCC[C@H]1CCCN1C(=O)c1c(O)cccc1F ZINC000436990837 1122600968 /nfs/dbraw/zinc/60/09/68/1122600968.db2.gz SPBQNVDLOAQXPP-LBPRGKRZSA-N 0 1 279.355 3.716 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1C(=O)c1c(O)cccc1F ZINC000436992703 1122601378 /nfs/dbraw/zinc/60/13/78/1122601378.db2.gz WONOMNMBPHTDOR-WCQYABFASA-N 0 1 279.355 3.572 20 0 CHADMN CC[C@@H](C)[C@H](C)N(C(=O)c1c(O)cccc1F)C1CC1 ZINC000436988793 1122601610 /nfs/dbraw/zinc/60/16/10/1122601610.db2.gz MQTDMXOJAPDZNR-MNOVXSKESA-N 0 1 279.355 3.571 20 0 CHADMN c1cc(N2CCCC2)cc2nc(C3CCCC3)[nH]c12 ZINC001250428645 1122606871 /nfs/dbraw/zinc/60/68/71/1122606871.db2.gz KGELYVWVQMZFDB-UHFFFAOYSA-N 0 1 255.365 3.821 20 0 CHADMN c1cc(N2CCCC2)cc2[nH]c(C3CCCC3)nc12 ZINC001250428645 1122606873 /nfs/dbraw/zinc/60/68/73/1122606873.db2.gz KGELYVWVQMZFDB-UHFFFAOYSA-N 0 1 255.365 3.821 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(Cl)nc2)c(C)c1 ZINC000193299064 1129065843 /nfs/dbraw/zinc/06/58/43/1129065843.db2.gz MGHLUVJDWXAUKJ-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H]1CCCc2sccc21 ZINC000437084981 1122612862 /nfs/dbraw/zinc/61/28/62/1122612862.db2.gz YLSZJBGLQRMNHP-SMDDNHRTSA-N 0 1 288.416 3.880 20 0 CHADMN Cc1cc(NC(=O)Nc2ncc(F)cc2O)ccc1Cl ZINC001191740940 1122613816 /nfs/dbraw/zinc/61/38/16/1122613816.db2.gz YJAQCNQNGMJGBC-UHFFFAOYSA-N 0 1 295.701 3.532 20 0 CHADMN CCCc1cc(C(=O)N2CCCC[C@H]2CC2CCC2)n[nH]1 ZINC000620573771 1129066394 /nfs/dbraw/zinc/06/63/94/1129066394.db2.gz RJKRVZTVAXTPSH-HNNXBMFYSA-N 0 1 289.423 3.547 20 0 CHADMN FCCNCc1ccc(Oc2cccc(F)c2)cc1 ZINC000437262300 1122624000 /nfs/dbraw/zinc/62/40/00/1122624000.db2.gz XUSNRWRCPKEFHW-UHFFFAOYSA-N 0 1 263.287 3.677 20 0 CHADMN Fc1ccc(CN2CCC[C@H](c3ccncc3)C2)cc1F ZINC000289291961 1122625520 /nfs/dbraw/zinc/62/55/20/1122625520.db2.gz HGNYIPNSCVVBFX-HNNXBMFYSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1nc2c(s1)CN(Cc1cc(C)ccc1C)CC2 ZINC001203749612 1122626869 /nfs/dbraw/zinc/62/68/69/1122626869.db2.gz MVKDSXDBOMZISS-UHFFFAOYSA-N 0 1 272.417 3.627 20 0 CHADMN Cc1ccsc1C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000506045557 1122632203 /nfs/dbraw/zinc/63/22/03/1122632203.db2.gz GVJPECBSWIRWIB-UHFFFAOYSA-N 0 1 267.344 3.967 20 0 CHADMN Cc1ccsc1CN(C)Cc1cc(F)cc(F)c1 ZINC000506045557 1122632205 /nfs/dbraw/zinc/63/22/05/1122632205.db2.gz GVJPECBSWIRWIB-UHFFFAOYSA-N 0 1 267.344 3.967 20 0 CHADMN COC/C(C)=C\CN1CCC(=Cc2cccc(F)c2)CC1 ZINC001192379593 1122642850 /nfs/dbraw/zinc/64/28/50/1122642850.db2.gz HLANLTPVQZPZCA-UUASQNMZSA-N 0 1 289.394 3.898 20 0 CHADMN C[C@@H]1CCN(CCCc2ccccc2Cl)C[C@@H]1F ZINC001192546740 1122650726 /nfs/dbraw/zinc/65/07/26/1122650726.db2.gz NSRRRWMGVYVORB-DOMZBBRYSA-N 0 1 269.791 3.953 20 0 CHADMN Cc1cc(Br)ccc1CN(C)Cc1ccco1 ZINC000506115170 1122651637 /nfs/dbraw/zinc/65/16/37/1122651637.db2.gz GTHFZZJJMIWCJQ-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN CCC[C@H](NC/C=C(/C)C(=O)OC)c1ccc(F)cc1F ZINC000775543702 1122658025 /nfs/dbraw/zinc/65/80/25/1122658025.db2.gz WZTZOKYKQVKICU-QIENPNARSA-N 0 1 297.345 3.515 20 0 CHADMN CC[C@H](NCc1cncs1)c1ccc(C)c(F)c1 ZINC001192910450 1122662206 /nfs/dbraw/zinc/66/22/06/1122662206.db2.gz UDDKBPGWZPIRIB-AWEZNQCLSA-N 0 1 264.369 3.832 20 0 CHADMN CC(C)[C@H](NCc1ccnn1C)c1ccccc1Cl ZINC000080202767 1129074766 /nfs/dbraw/zinc/07/47/66/1129074766.db2.gz MOJFTGRUHJHGKC-HNNXBMFYSA-N 0 1 277.799 3.560 20 0 CHADMN CC[C@]1(C)COCCN1C[C@@H]1CCC2(CCCCCC2)O1 ZINC001192928179 1122666077 /nfs/dbraw/zinc/66/60/77/1122666077.db2.gz GZGJTSMXPPWLHP-DLBZAZTESA-N 0 1 295.467 3.759 20 0 CHADMN COc1ccnc(CN[C@H](C)c2cc(C)ccc2C)c1 ZINC001193012878 1122670107 /nfs/dbraw/zinc/67/01/07/1122670107.db2.gz VOARLBINVXPSCN-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN CCCC[C@H](C)NC(=O)Nc1cccc(Cl)c1O ZINC001193061959 1122671939 /nfs/dbraw/zinc/67/19/39/1122671939.db2.gz BXUNMXHQRMUVGT-VIFPVBQESA-N 0 1 270.760 3.746 20 0 CHADMN CCCC[C@@H](N[C@H](CC(C)C)C(=O)OC)C1CCC1 ZINC001193238144 1122681783 /nfs/dbraw/zinc/68/17/83/1122681783.db2.gz GQLBMOHMVVSRKO-HUUCEWRRSA-N 0 1 269.429 3.523 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000438120067 1122682814 /nfs/dbraw/zinc/68/28/14/1122682814.db2.gz KQGAUABGKADTBT-OCCSQVGLSA-N 0 1 297.801 3.728 20 0 CHADMN CC(C)=CCN1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001193309113 1122683970 /nfs/dbraw/zinc/68/39/70/1122683970.db2.gz KNVYPNUATMQXSL-UHFFFAOYSA-N 0 1 296.817 3.563 20 0 CHADMN Cc1cccc2c1CN([C@H](C)c1ccc(F)nc1)CC2 ZINC001193354871 1122686044 /nfs/dbraw/zinc/68/60/44/1122686044.db2.gz HVFFNPAYLFVHEQ-CYBMUJFWSA-N 0 1 270.351 3.648 20 0 CHADMN CCc1cccc2c(CCN[C@H](C)c3ncco3)c[nH]c21 ZINC000925030232 1122688725 /nfs/dbraw/zinc/68/87/25/1122688725.db2.gz GZZUDUAATSCVFM-GFCCVEGCSA-N 0 1 283.375 3.612 20 0 CHADMN C[C@@H]1CN(Cc2cc3ccccc3s2)[C@@H](C)[C@@H](C)O1 ZINC000438349939 1122692535 /nfs/dbraw/zinc/69/25/35/1122692535.db2.gz CQSUDGGCYUAFTR-FRRDWIJNSA-N 0 1 275.417 3.899 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3ccncc3)c2)[C@H](C)[C@H](C)O1 ZINC000438359199 1122693303 /nfs/dbraw/zinc/69/33/03/1122693303.db2.gz PMMTWYPKRNNEKZ-OAGGEKHMSA-N 0 1 296.414 3.746 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)[C@@H](C)[C@H](C)O1 ZINC000438360929 1122694527 /nfs/dbraw/zinc/69/45/27/1122694527.db2.gz DSAYAINDPFBVEB-PMPSAXMXSA-N 0 1 296.414 3.746 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)[C@H](C)[C@@H](C)O1 ZINC000438360926 1122694695 /nfs/dbraw/zinc/69/46/95/1122694695.db2.gz DSAYAINDPFBVEB-BZUAXINKSA-N 0 1 296.414 3.746 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)[C@@H](C)[C@H](C)O1 ZINC000438366498 1122694798 /nfs/dbraw/zinc/69/47/98/1122694798.db2.gz WTISRRIDWSOBOG-PMPSAXMXSA-N 0 1 296.414 3.746 20 0 CHADMN O=C(N=c1[nH]sc2ncccc21)OC1CCCCC1 ZINC001193609321 1122701549 /nfs/dbraw/zinc/70/15/49/1122701549.db2.gz WUXLMIUPZGUUOC-UHFFFAOYSA-N 0 1 277.349 3.573 20 0 CHADMN CC(C)[C@H](CC(F)(F)F)NCc1nc2ccccc2[nH]1 ZINC000438465112 1122701584 /nfs/dbraw/zinc/70/15/84/1122701584.db2.gz AATTWWFAWNAABI-LBPRGKRZSA-N 0 1 285.313 3.630 20 0 CHADMN CC(C)[C@H](CC(F)(F)F)NCc1nc2ccccc2n1C ZINC000438478069 1122702596 /nfs/dbraw/zinc/70/25/96/1122702596.db2.gz NFJWUFCTBQHBSK-LBPRGKRZSA-N 0 1 299.340 3.640 20 0 CHADMN CC[C@@H]1CCN(Cc2nc(C(C)(C)C)co2)[C@H]1C ZINC001193604371 1122704815 /nfs/dbraw/zinc/70/48/15/1122704815.db2.gz GNDNDMVOFZHZOZ-NWDGAFQWSA-N 0 1 250.386 3.593 20 0 CHADMN Cc1ccccc1OCCCN1CCOC[C@H]1CC(C)C ZINC000506266966 1122708403 /nfs/dbraw/zinc/70/84/03/1122708403.db2.gz GJJVXJRTGHXFKB-QGZVFWFLSA-N 0 1 291.435 3.511 20 0 CHADMN Cc1ccn2c(C[N@H+]3CCC[C@H]3c3ccccc3)cnc2c1 ZINC000506285169 1122711131 /nfs/dbraw/zinc/71/11/31/1122711131.db2.gz ZBUAPFFVAIXWEW-SFHVURJKSA-N 0 1 291.398 3.980 20 0 CHADMN CCc1nn(C)cc1CN[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426064827 1122712094 /nfs/dbraw/zinc/71/20/94/1122712094.db2.gz WJUSCXVEQCMFKW-ZDUSSCGKSA-N 0 1 297.402 3.888 20 0 CHADMN CC(C)(C)CC(C)(C)NC(=O)c1ccc(F)c(O)c1F ZINC001193793128 1122716938 /nfs/dbraw/zinc/71/69/38/1122716938.db2.gz JZIOJBBVSOBFHY-UHFFFAOYSA-N 0 1 285.334 3.615 20 0 CHADMN COc1ccsc1CN(C)[C@@H](C)c1ccc(OC)cc1 ZINC000506327498 1122719416 /nfs/dbraw/zinc/71/94/16/1122719416.db2.gz UGVXPQPHGJFPAO-LBPRGKRZSA-N 0 1 291.416 3.958 20 0 CHADMN COCC[N@@H+](C)Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000506353129 1122723037 /nfs/dbraw/zinc/72/30/37/1122723037.db2.gz MYUGLISTUNRSGW-UHFFFAOYSA-N 0 1 299.414 3.652 20 0 CHADMN Cc1nc(CN2CCC[C@H](C)C2)sc1C(C)(C)C ZINC001193889292 1122723825 /nfs/dbraw/zinc/72/38/25/1122723825.db2.gz PDIZQTTYTKZHAY-NSHDSACASA-N 0 1 266.454 3.981 20 0 CHADMN CC(C)COC(=O)Nc1cc(Cl)c(O)cc1Cl ZINC001193836229 1122724072 /nfs/dbraw/zinc/72/40/72/1122724072.db2.gz KAAQQMONFNHLNR-UHFFFAOYSA-N 0 1 278.135 3.904 20 0 CHADMN CCC(CC)n1ccc(CN(C)[C@H]2CC[C@H](C)C2)n1 ZINC000429595862 1122728905 /nfs/dbraw/zinc/72/89/05/1122728905.db2.gz XMNMAISQIZUSTR-BBRMVZONSA-N 0 1 263.429 3.865 20 0 CHADMN CCOc1cc(F)c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC001143564784 1122736638 /nfs/dbraw/zinc/73/66/38/1122736638.db2.gz LIDCBKUXIAKXRL-TXEJJXNPSA-N 0 1 281.346 3.595 20 0 CHADMN CCOc1cc(F)c(CN2C[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC001143564784 1122736644 /nfs/dbraw/zinc/73/66/44/1122736644.db2.gz LIDCBKUXIAKXRL-TXEJJXNPSA-N 0 1 281.346 3.595 20 0 CHADMN CC(C)CSCCC[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC001194019230 1122738882 /nfs/dbraw/zinc/73/88/82/1122738882.db2.gz BPKUMMFUSTWUDL-CQSZACIVSA-N 0 1 273.486 3.513 20 0 CHADMN CCC[C@@](C)(O)CN[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000925044466 1122745299 /nfs/dbraw/zinc/74/52/99/1122745299.db2.gz GTNZPYSDJCQMAR-RBUKOAKNSA-N 0 1 298.430 3.620 20 0 CHADMN CCCc1csc(CN2C[C@@H](C)CC[C@@H]2C)n1 ZINC000426423548 1122791544 /nfs/dbraw/zinc/79/15/44/1122791544.db2.gz YQXZHMCIWKECJC-RYUDHWBXSA-N 0 1 252.427 3.716 20 0 CHADMN Fc1cc2nc([C@@H]3CCCO3)[nH]c2c(C(F)(F)F)c1 ZINC001250560575 1122758963 /nfs/dbraw/zinc/75/89/63/1122758963.db2.gz CZKJYCSHAJPDAR-VIFPVBQESA-N 0 1 274.217 3.572 20 0 CHADMN Cc1nnsc1CN[C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000426300571 1122759644 /nfs/dbraw/zinc/75/96/44/1122759644.db2.gz HDDBSYDGOYUJFJ-CQSZACIVSA-N 0 1 297.374 3.612 20 0 CHADMN CCOc1cc(F)c(CN2C[C@@H]3CCCC[C@H]3C2)c(F)c1 ZINC001143565583 1122760941 /nfs/dbraw/zinc/76/09/41/1122760941.db2.gz ZMJGJLKWKWXJGX-STQMWFEESA-N 0 1 295.373 3.986 20 0 CHADMN COC[C@H](NCc1cc2ccccc2n1C)c1ccccc1 ZINC000638600399 1122761378 /nfs/dbraw/zinc/76/13/78/1122761378.db2.gz XMWLHOGASCPHBP-SFHVURJKSA-N 0 1 294.398 3.656 20 0 CHADMN C[C@@H]1CC(C)(C)CC[C@H]1NCc1ncn(-c2ccccc2)n1 ZINC000340524800 1122762717 /nfs/dbraw/zinc/76/27/17/1122762717.db2.gz KSQITGTYTZBGOV-GDBMZVCRSA-N 0 1 298.434 3.572 20 0 CHADMN CC[N@@H+](CC(C)C)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000153756944 1129076570 /nfs/dbraw/zinc/07/65/70/1129076570.db2.gz DGQQHHFHRFPWLR-CYBMUJFWSA-N 0 1 273.380 3.776 20 0 CHADMN CC[N@@H+](Cc1ccccc1C)Cc1cccnc1C ZINC000153743389 1129076705 /nfs/dbraw/zinc/07/67/05/1129076705.db2.gz FLLAHFHKULNKSH-UHFFFAOYSA-N 0 1 254.377 3.721 20 0 CHADMN Cc1cnc(CN2CC[C@@H](c3ccccc3)C[C@H]2C)nc1 ZINC000439314674 1122769993 /nfs/dbraw/zinc/76/99/93/1122769993.db2.gz HEFKSJPTLGRPSQ-NVXWUHKLSA-N 0 1 281.403 3.553 20 0 CHADMN C/C(=C\c1ccccc1)C[N@H+](C)Cc1cccc(O)c1 ZINC000426375552 1122776747 /nfs/dbraw/zinc/77/67/47/1122776747.db2.gz DXBCUPVITFCPOA-RVDMUPIBSA-N 0 1 267.372 3.928 20 0 CHADMN C[C@H]1CCN(Cc2ccsc2Cl)CCS1 ZINC000426388837 1122779739 /nfs/dbraw/zinc/77/97/39/1122779739.db2.gz IYSIBRHOKZRPDS-VIFPVBQESA-N 0 1 261.843 3.729 20 0 CHADMN CCCCN1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439479343 1122784437 /nfs/dbraw/zinc/78/44/37/1122784437.db2.gz TYSWQMFVZCVVCF-UHFFFAOYSA-N 0 1 260.356 3.855 20 0 CHADMN Cc1ccc(F)c(CN(C)C[C@H]2Cc3ccccc3O2)c1 ZINC001205670627 1122789187 /nfs/dbraw/zinc/78/91/87/1122789187.db2.gz RTLBZGTVZHWOKK-MRXNPFEDSA-N 0 1 285.362 3.570 20 0 CHADMN c1csc(-c2cc(CN3CC[C@@H]4CCC[C@@H]43)no2)c1 ZINC000426455996 1122798528 /nfs/dbraw/zinc/79/85/28/1122798528.db2.gz CIIGWBPKFUZVDA-AAEUAGOBSA-N 0 1 274.389 3.778 20 0 CHADMN c1sc(Nc2ccccc2)nc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000426467315 1122799129 /nfs/dbraw/zinc/79/91/29/1122799129.db2.gz ISXZEPQAUZHYBG-BBRMVZONSA-N 0 1 299.443 3.683 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CC[C@H]2CCC[C@@H]21 ZINC000426495194 1122805451 /nfs/dbraw/zinc/80/54/51/1122805451.db2.gz JYHKKJPAVCQTGG-OCCSQVGLSA-N 0 1 287.382 3.570 20 0 CHADMN Cc1noc(C)c1CN[C@H]1CC(C)(C)Cc2occc21 ZINC000153929327 1129079397 /nfs/dbraw/zinc/07/93/97/1129079397.db2.gz QEROQEKVRCBKQX-AWEZNQCLSA-N 0 1 274.364 3.688 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000153980517 1129080378 /nfs/dbraw/zinc/08/03/78/1129080378.db2.gz KTLUAMJBSBHHHC-LLVKDONJSA-N 0 1 276.355 3.898 20 0 CHADMN COc1ccccc1-c1cc(CNCc2ccccc2)on1 ZINC000633631414 1129080534 /nfs/dbraw/zinc/08/05/34/1129080534.db2.gz SWHKNEPQRNPABV-UHFFFAOYSA-N 0 1 294.354 3.640 20 0 CHADMN CC[C@H](NC[C@H](O)c1ccc(Cl)cc1)c1nccs1 ZINC000080280394 1129080714 /nfs/dbraw/zinc/08/07/14/1129080714.db2.gz UUTLWUNJPVWUPQ-STQMWFEESA-N 0 1 296.823 3.571 20 0 CHADMN CCC(CC)CN(C)CC(=O)Nc1ccccc1SC ZINC000506788015 1122829761 /nfs/dbraw/zinc/82/97/61/1122829761.db2.gz KNXCTVGVALQVGF-UHFFFAOYSA-N 0 1 294.464 3.715 20 0 CHADMN COc1cccc(CN(C)Cc2ccc(C)c(C)c2)c1OC ZINC000506790520 1122831066 /nfs/dbraw/zinc/83/10/66/1122831066.db2.gz NTCRHFKKCRGVGK-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN COc1ccc(C)cc1CN1CCC[C@H](C(F)(F)F)C1 ZINC000506790382 1122831805 /nfs/dbraw/zinc/83/18/05/1122831805.db2.gz ZYDDHNZLVIZPHT-ZDUSSCGKSA-N 0 1 287.325 3.778 20 0 CHADMN CC[N@@H+](Cc1cc(C)cc(C)c1)C1CCC(C(=O)[O-])CC1 ZINC000519426739 1122836643 /nfs/dbraw/zinc/83/66/43/1122836643.db2.gz NQUFAMCUNVPOJE-UHFFFAOYSA-N 0 1 289.419 3.769 20 0 CHADMN CC[C@H](COC)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000154034945 1129081702 /nfs/dbraw/zinc/08/17/02/1129081702.db2.gz HZYDGQOYMQNTBY-GHMZBOCLSA-N 0 1 270.442 3.516 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000394880664 1122845517 /nfs/dbraw/zinc/84/55/17/1122845517.db2.gz JHDXCPQNTCFXMJ-RBSFLKMASA-N 0 1 281.440 3.636 20 0 CHADMN CC(C)CNc1ccnc(C2(C(F)(F)F)CC2)c1 ZINC001161651032 1122848913 /nfs/dbraw/zinc/84/89/13/1122848913.db2.gz PNIFGGJWBBGDIQ-UHFFFAOYSA-N 0 1 258.287 3.743 20 0 CHADMN CC(C)N(C)CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000302831644 1122860584 /nfs/dbraw/zinc/86/05/84/1122860584.db2.gz CJAWXTPORKRPGM-UHFFFAOYSA-N 0 1 298.386 3.758 20 0 CHADMN CC[C@H](CSC)N(C)Cc1cc(C)cnc1Cl ZINC000894497519 1122863049 /nfs/dbraw/zinc/86/30/49/1122863049.db2.gz ZLYSCDYGOYSIJE-GFCCVEGCSA-N 0 1 272.845 3.617 20 0 CHADMN Clc1cncc(-c2nc3ccc(N4CCCC4)cc3[nH]2)c1 ZINC001250636323 1122866846 /nfs/dbraw/zinc/86/68/46/1122866846.db2.gz CELDVOZRYFZYJN-UHFFFAOYSA-N 0 1 298.777 3.879 20 0 CHADMN CC(C)c1nc(CN2CC(C)(C)C[C@@H]2c2ccccc2)n[nH]1 ZINC001195377553 1122867652 /nfs/dbraw/zinc/86/76/52/1122867652.db2.gz YECFAJSDMGWLNA-OAHLLOKOSA-N 0 1 298.434 3.901 20 0 CHADMN CC(C)n1cc(-c2nc3ccc(C(F)F)cc3[nH]2)cn1 ZINC001250641084 1122869356 /nfs/dbraw/zinc/86/93/56/1122869356.db2.gz IRKNMTVHSGEHDN-UHFFFAOYSA-N 0 1 276.290 3.945 20 0 CHADMN CC(C)c1ncc(CN(C)[C@@H](C)c2ccccc2)cn1 ZINC000440458728 1122873994 /nfs/dbraw/zinc/87/39/94/1122873994.db2.gz HHRSBAMJQQGNRI-AWEZNQCLSA-N 0 1 269.392 3.793 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1cnnn1C)c1ccccc1Cl ZINC000925075714 1122874624 /nfs/dbraw/zinc/87/46/24/1122874624.db2.gz LOBBBKYKPVFGBX-ABAIWWIYSA-N 0 1 292.814 3.516 20 0 CHADMN COCCCC[C@@H](NCc1ocnc1C)c1ccccc1 ZINC000894601266 1122878322 /nfs/dbraw/zinc/87/83/22/1122878322.db2.gz AOKRESNYTVUWIS-MRXNPFEDSA-N 0 1 288.391 3.631 20 0 CHADMN CCCN1C(=O)N=NC1S[C@H](C)c1ccccc1C ZINC000154120913 1129083903 /nfs/dbraw/zinc/08/39/03/1129083903.db2.gz GZKHCHXXGRRIGX-LLVKDONJSA-N 0 1 277.393 3.555 20 0 CHADMN CCn1cc(CNCc2ccc(C(C)(F)F)cc2)c(C)n1 ZINC000894609793 1122879252 /nfs/dbraw/zinc/87/92/52/1122879252.db2.gz GXHWTPIGVGGPGE-UHFFFAOYSA-N 0 1 293.361 3.613 20 0 CHADMN C[C@@H](NCc1c(F)c(F)c(F)c(F)c1F)C(C)(C)C ZINC001195713406 1122883841 /nfs/dbraw/zinc/88/38/41/1122883841.db2.gz VOBNQIZVTWHIJE-ZCFIWIBFSA-N 0 1 281.268 3.906 20 0 CHADMN Nc1nc2ccccc2n1C1=CC[C@@H](C(F)(F)F)CC1 ZINC001195833356 1122892651 /nfs/dbraw/zinc/89/26/51/1122892651.db2.gz DDWQSYZNIUQBQO-SECBINFHSA-N 0 1 281.281 3.822 20 0 CHADMN Cc1cc(F)ncc1CN[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000894689929 1122893017 /nfs/dbraw/zinc/89/30/17/1122893017.db2.gz OSJNRJCQKRMVCT-IUODEOHRSA-N 0 1 286.350 3.531 20 0 CHADMN COC(=O)CN(Cc1ccc(C)c(C)c1)C1CCCCC1 ZINC001195962897 1122898082 /nfs/dbraw/zinc/89/80/82/1122898082.db2.gz CALMPPRQRMWXBG-UHFFFAOYSA-N 0 1 289.419 3.611 20 0 CHADMN C[C@@H]1CC[C@@H](CSc2nc3ccc(Cl)cc3[nH]2)O1 ZINC000473795612 1122898927 /nfs/dbraw/zinc/89/89/27/1122898927.db2.gz KXJHDWJQYAZDEL-SCZZXKLOSA-N 0 1 282.796 3.876 20 0 CHADMN Cc1cccc2c1CCN(Cc1cn(C)nc1C(C)(C)C)C2 ZINC000775680398 1122900927 /nfs/dbraw/zinc/90/09/27/1122900927.db2.gz BVPYORMADSFNNP-UHFFFAOYSA-N 0 1 297.446 3.584 20 0 CHADMN Cc1nc2ccc(NC(=O)/C=C/C3CCCC3)cc2[nH]1 ZINC000843759320 1122902143 /nfs/dbraw/zinc/90/21/43/1122902143.db2.gz MBQXATNXQQADCN-RMKNXTFCSA-N 0 1 269.348 3.556 20 0 CHADMN Cc1ncoc1CNC[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC000894763311 1122903275 /nfs/dbraw/zinc/90/32/75/1122903275.db2.gz YJRYJAFYLYGSNV-CYBMUJFWSA-N 0 1 288.391 3.664 20 0 CHADMN CCc1onc(C)c1CN1CC(Cc2cccc(C)c2)C1 ZINC000894820829 1122907879 /nfs/dbraw/zinc/90/78/79/1122907879.db2.gz SGRRZFAKQSLRSK-UHFFFAOYSA-N 0 1 284.403 3.528 20 0 CHADMN COc1ccc2c(c1)CCN([C@H]1CCc3c1cccc3F)C2 ZINC001196168801 1122910323 /nfs/dbraw/zinc/91/03/23/1122910323.db2.gz XLTJJZGAOFXODJ-IBGZPJMESA-N 0 1 297.373 3.880 20 0 CHADMN Clc1ccc2nc(-c3ccc(N4CCCC4)nc3)[nH]c2c1 ZINC000154283608 1129086363 /nfs/dbraw/zinc/08/63/63/1129086363.db2.gz JBWWNWXKQYGDOQ-UHFFFAOYSA-N 0 1 298.777 3.879 20 0 CHADMN CC(C)C1(C)CCN(Cc2ccncc2Cl)CC1 ZINC000426746754 1122913991 /nfs/dbraw/zinc/91/39/91/1122913991.db2.gz ZPPRTHRDMKOTAP-UHFFFAOYSA-N 0 1 266.816 3.993 20 0 CHADMN Cc1ccc([C@H](CC(=O)[O-])[NH2+]Cc2ccccc2Cl)o1 ZINC000426793902 1122916034 /nfs/dbraw/zinc/91/60/34/1122916034.db2.gz RTIWHQSOBMVYKU-ZDUSSCGKSA-N 0 1 293.750 3.547 20 0 CHADMN C[C@H](N[C@@H]1CCC(C)(C)C1)c1nc(C(C)(C)C)no1 ZINC000506943949 1122916102 /nfs/dbraw/zinc/91/61/02/1122916102.db2.gz JQAKDNVJTFJZNF-WDEREUQCSA-N 0 1 265.401 3.596 20 0 CHADMN CCC[C@@H](C)N(C)Cc1c(C)nn(CC(C)C)c1OCC ZINC000507022502 1122920280 /nfs/dbraw/zinc/92/02/80/1122920280.db2.gz SLCZOZDMRDJHQE-CQSZACIVSA-N 0 1 295.471 3.867 20 0 CHADMN COc1cc(CN[C@@H]2CC(C)(C)c3ccccc32)sn1 ZINC000638761802 1122921286 /nfs/dbraw/zinc/92/12/86/1122921286.db2.gz KTQYNCYUFFKVDA-CQSZACIVSA-N 0 1 288.416 3.664 20 0 CHADMN Fc1cccc([C@@H](NCc2ncc[nH]2)C2CCCC2)c1 ZINC000154465581 1129086918 /nfs/dbraw/zinc/08/69/18/1129086918.db2.gz XRVHRQQNYJCLCE-INIZCTEOSA-N 0 1 273.355 3.570 20 0 CHADMN FC(F)(F)[C@@H]1CC=C(Nc2cnc3ccccn23)CC1 ZINC001196769164 1122931436 /nfs/dbraw/zinc/93/14/36/1122931436.db2.gz YOZMNJJLOOHWRN-SNVBAGLBSA-N 0 1 281.281 3.993 20 0 CHADMN CCCCc1noc([C@H](C)N2CCC(C)(CC)CC2)n1 ZINC000507161901 1122932052 /nfs/dbraw/zinc/93/20/52/1122932052.db2.gz BJYAWYPFFWPBKA-ZDUSSCGKSA-N 0 1 279.428 3.985 20 0 CHADMN Cc1ccc(-c2nc(CN3CC[C@H](C)C3)cs2)cc1 ZINC000507161758 1122932651 /nfs/dbraw/zinc/93/26/51/1122932651.db2.gz AXKDWKDSGFLLNL-ZDUSSCGKSA-N 0 1 272.417 3.960 20 0 CHADMN CC[C@@H](C)N1CCc2ccc(C(F)(F)F)cc2C1 ZINC001196850864 1122937354 /nfs/dbraw/zinc/93/73/54/1122937354.db2.gz MZNFVZIXOZFXKQ-SNVBAGLBSA-N 0 1 257.299 3.862 20 0 CHADMN CCCCc1noc(CN2CC[C@@H](c3ccccc3C)C2)n1 ZINC000507208507 1122939272 /nfs/dbraw/zinc/93/92/72/1122939272.db2.gz QUEDEGUPHPFEJG-OAHLLOKOSA-N 0 1 299.418 3.710 20 0 CHADMN Fc1cc2nc(-c3ccns3)[nH]c2c(C(F)(F)F)c1 ZINC001251076167 1122941042 /nfs/dbraw/zinc/94/10/42/1122941042.db2.gz PBGUJHYJXIZGLB-UHFFFAOYSA-N 0 1 287.241 3.844 20 0 CHADMN COc1ccc([C@@H]2C[N@@H+](C[C@H](C)CC(C)C)CCO2)cc1 ZINC001197012276 1122942368 /nfs/dbraw/zinc/94/23/68/1122942368.db2.gz BYIXOSJNAPNPQU-QAPCUYQASA-N 0 1 291.435 3.751 20 0 CHADMN COc1ccc([C@@H]2CN(C[C@H](C)CC(C)C)CCO2)cc1 ZINC001197012276 1122942370 /nfs/dbraw/zinc/94/23/70/1122942370.db2.gz BYIXOSJNAPNPQU-QAPCUYQASA-N 0 1 291.435 3.751 20 0 CHADMN CCCC[C@](C)(F)c1nc(-c2ccn3cncc3c2)no1 ZINC000664863239 1122943946 /nfs/dbraw/zinc/94/39/46/1122943946.db2.gz SRMJIERDWALSIY-HNNXBMFYSA-N 0 1 288.326 3.759 20 0 CHADMN CC1(C)Cc2n[nH]cc2CN([C@@H]2CCc3ccc(F)cc32)C1 ZINC000664867686 1122949312 /nfs/dbraw/zinc/94/93/12/1122949312.db2.gz JXCARJPBQUPOID-QGZVFWFLSA-N 0 1 299.393 3.621 20 0 CHADMN CCOc1ccc(CN(Cc2ccnc(C)n2)C(C)C)cc1 ZINC000507385522 1122952741 /nfs/dbraw/zinc/95/27/41/1122952741.db2.gz JCUZRMWUFHLXBG-UHFFFAOYSA-N 0 1 299.418 3.594 20 0 CHADMN C[C@H](c1cccc(Br)c1)N1CCC(F)CC1 ZINC001197336272 1122955465 /nfs/dbraw/zinc/95/54/65/1122955465.db2.gz XIMRMRVXEUFPGI-SNVBAGLBSA-N 0 1 286.188 3.944 20 0 CHADMN c1cc2cc(CNCc3cccc4c3OCO4)ccc2s1 ZINC000519606388 1122955855 /nfs/dbraw/zinc/95/58/55/1122955855.db2.gz FTBRQMQOYROLLT-UHFFFAOYSA-N 0 1 297.379 3.920 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccccc1N(C)C ZINC000507462268 1122956496 /nfs/dbraw/zinc/95/64/96/1122956496.db2.gz OOFHAMRXOIILHZ-CQSZACIVSA-N 0 1 283.419 3.561 20 0 CHADMN CC(C)c1cccc(CN2CCc3nc[nH]c3C23CCC3)c1 ZINC001197438370 1122956680 /nfs/dbraw/zinc/95/66/80/1122956680.db2.gz CHZQPDBXMPYDSG-UHFFFAOYSA-N 0 1 295.430 3.971 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000507472105 1122958028 /nfs/dbraw/zinc/95/80/28/1122958028.db2.gz QJXANRDIRRAKGH-OLZOCXBDSA-N 0 1 298.386 3.785 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1cccc(N(C)C)c1 ZINC000507505610 1122961308 /nfs/dbraw/zinc/96/13/08/1122961308.db2.gz FIBKBZPSADZGAI-AWEZNQCLSA-N 0 1 283.419 3.561 20 0 CHADMN COCC[N@@H+](Cc1ccc(C)c(C)c1)Cc1ccncc1C ZINC001197853731 1122970112 /nfs/dbraw/zinc/97/01/12/1122970112.db2.gz AGBLEFXZITUQNW-UHFFFAOYSA-N 0 1 298.430 3.655 20 0 CHADMN COCCN(Cc1ccc(C)c(C)c1)Cc1ccncc1C ZINC001197853731 1122970117 /nfs/dbraw/zinc/97/01/17/1122970117.db2.gz AGBLEFXZITUQNW-UHFFFAOYSA-N 0 1 298.430 3.655 20 0 CHADMN Cc1ccc(NC(=S)Nc2ncc(Cl)cc2O)cc1 ZINC001197900572 1122972399 /nfs/dbraw/zinc/97/23/99/1122972399.db2.gz ZMQGMQIBULCYFA-UHFFFAOYSA-N 0 1 293.779 3.558 20 0 CHADMN COCCNC(=S)Nc1ccccc1SC(C)(C)C ZINC001197868326 1122972902 /nfs/dbraw/zinc/97/29/02/1122972902.db2.gz VMYGWHOPZVPJSY-UHFFFAOYSA-N 0 1 298.477 3.510 20 0 CHADMN CSc1ccc2nc(-c3cc(O)ccc3C)[nH]c2c1 ZINC001251702667 1122978900 /nfs/dbraw/zinc/97/89/00/1122978900.db2.gz BTNMLUHOONVBBX-UHFFFAOYSA-N 0 1 270.357 3.966 20 0 CHADMN Cc1cc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)n[nH]1 ZINC000154696172 1129090739 /nfs/dbraw/zinc/09/07/39/1129090739.db2.gz QHTAAARGQKIQKL-OAHLLOKOSA-N 0 1 289.423 3.683 20 0 CHADMN CC(=O)N1CC[C@H](N[C@@H](C)c2ccc(C)o2)c2ccccc21 ZINC000334315057 1122985944 /nfs/dbraw/zinc/98/59/44/1122985944.db2.gz NAIUNPHFKAEEJW-BBRMVZONSA-N 0 1 298.386 3.737 20 0 CHADMN Cc1cccc2nc(-c3ccc(Cl)c(C)n3)[nH]c21 ZINC001251804531 1122990850 /nfs/dbraw/zinc/99/08/50/1122990850.db2.gz ADQFENZXCSPWPX-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN Cc1ccccc1NC(=S)Nc1cc(O)c(F)c(F)c1 ZINC001198428330 1122991723 /nfs/dbraw/zinc/99/17/23/1122991723.db2.gz BQVONOPNPGACJS-UHFFFAOYSA-N 0 1 294.326 3.788 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@H+]1C[C@H](O)c1c(F)cccc1F ZINC000729475461 1122992211 /nfs/dbraw/zinc/99/22/11/1122992211.db2.gz VFKNWKGIDLGRIW-KBPBESRZSA-N 0 1 283.362 3.509 20 0 CHADMN Cc1cnc(C(=O)N(c2ccccc2)[C@@H](C)C2CC2)c(O)c1 ZINC000633846308 1129091974 /nfs/dbraw/zinc/09/19/74/1129091974.db2.gz XJHRTYCZWRGREJ-ZDUSSCGKSA-N 0 1 296.370 3.541 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC(c3ccc(O)cc3)CC2)o1 ZINC000334366099 1122998039 /nfs/dbraw/zinc/99/80/39/1122998039.db2.gz PDSLWIYVCSTJTQ-CYBMUJFWSA-N 0 1 286.375 3.629 20 0 CHADMN CSc1ccc(C)c(NS(=O)(=O)c2ccsc2)c1 ZINC000334372288 1122998620 /nfs/dbraw/zinc/99/86/20/1122998620.db2.gz RFGQMAWIAMCFJV-UHFFFAOYSA-N 0 1 299.442 3.579 20 0 CHADMN C[C@@H]1CC=CC[C@H]1NCc1c(F)c(F)c(F)c(F)c1F ZINC001198604124 1123000814 /nfs/dbraw/zinc/00/08/14/1123000814.db2.gz IRZVDIGQPRFFMV-VXNVDRBHSA-N 0 1 291.263 3.826 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(Cl)s1 ZINC000334409427 1123007118 /nfs/dbraw/zinc/00/71/18/1123007118.db2.gz SKXSRLFZMDVNEA-UHFFFAOYSA-N 0 1 291.710 3.623 20 0 CHADMN CC(C)n1ccc(CN2CCC[C@H](C3CCCC3)C2)n1 ZINC001198705359 1123008825 /nfs/dbraw/zinc/00/88/25/1123008825.db2.gz IRZRENBJCQMHSF-INIZCTEOSA-N 0 1 275.440 3.866 20 0 CHADMN C[C@H]1c2ccc(Cl)n2CCN1CCCCCF ZINC000794433613 1123011679 /nfs/dbraw/zinc/01/16/79/1123011679.db2.gz CENBUIWSJGOHPB-NSHDSACASA-N 0 1 258.768 3.658 20 0 CHADMN CC[C@H](F)CN[C@@H](C)c1cc2cccc(F)c2o1 ZINC000440530557 1123011852 /nfs/dbraw/zinc/01/18/52/1123011852.db2.gz HUINBLFSDMBUMT-ONGXEEELSA-N 0 1 253.292 3.971 20 0 CHADMN CC[C@@H](F)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000440579222 1123015957 /nfs/dbraw/zinc/01/59/57/1123015957.db2.gz RHVOVLLKNRGZFV-LLVKDONJSA-N 0 1 265.357 3.620 20 0 CHADMN CC1(F)CCN(Cc2ccccc2Br)CC1 ZINC001203318480 1123019761 /nfs/dbraw/zinc/01/97/61/1123019761.db2.gz IGSOHULOKCSKNP-UHFFFAOYSA-N 0 1 286.188 3.773 20 0 CHADMN Cc1nn(-c2ccc(C)cc2)cc1CNCc1ccsc1 ZINC001199286319 1123026730 /nfs/dbraw/zinc/02/67/30/1123026730.db2.gz MKZVNWRBDOTTFU-UHFFFAOYSA-N 0 1 297.427 3.840 20 0 CHADMN COC(=O)CC1(CN(C)[C@H](C)c2ccccc2Cl)CC1 ZINC000440711542 1123032929 /nfs/dbraw/zinc/03/29/29/1123032929.db2.gz FTBZGUKJPNKVDW-GFCCVEGCSA-N 0 1 295.810 3.676 20 0 CHADMN CC[C@@H](F)CN1CCC(Oc2ccccc2Cl)CC1 ZINC000440771613 1123035874 /nfs/dbraw/zinc/03/58/74/1123035874.db2.gz RLZDRPRHJUKKHR-GFCCVEGCSA-N 0 1 285.790 3.931 20 0 CHADMN Fc1ccc(C2(CNCc3ccon3)CCCCC2)cc1 ZINC001199750461 1123039025 /nfs/dbraw/zinc/03/90/25/1123039025.db2.gz AMQLDDDCJADZIU-UHFFFAOYSA-N 0 1 288.366 3.805 20 0 CHADMN CCCCCC[C@@H](C)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000760029386 1123047133 /nfs/dbraw/zinc/04/71/33/1123047133.db2.gz DYNNFEIXCJXPFK-LLVKDONJSA-N 0 1 278.400 3.617 20 0 CHADMN CCCCCC[C@@H](C)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000760029386 1123047138 /nfs/dbraw/zinc/04/71/38/1123047138.db2.gz DYNNFEIXCJXPFK-LLVKDONJSA-N 0 1 278.400 3.617 20 0 CHADMN CCN(CCC(=O)OC(C)C)Cc1ccccc1Cl ZINC000441186559 1123067408 /nfs/dbraw/zinc/06/74/08/1123067408.db2.gz XBYZDLFJUMEYBU-UHFFFAOYSA-N 0 1 283.799 3.504 20 0 CHADMN Cc1cnc(CNCCc2ccc(-c3ccccc3)cc2)o1 ZINC001201017332 1123069222 /nfs/dbraw/zinc/06/92/22/1123069222.db2.gz DWCBFJOYDZHZEH-UHFFFAOYSA-N 0 1 292.382 3.982 20 0 CHADMN C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441236876 1123069493 /nfs/dbraw/zinc/06/94/93/1123069493.db2.gz RCRBKBUMVUWTEM-MCIONIFRSA-N 0 1 295.373 3.774 20 0 CHADMN CC[C@H](C)CN(C)C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000520368641 1123080720 /nfs/dbraw/zinc/08/07/20/1123080720.db2.gz DJTBNYLYERSMOF-RDJZCZTQSA-N 0 1 290.451 3.574 20 0 CHADMN Cc1ccc2c(ccnc2N(C(=N)N)c2ccc(F)cc2)c1 ZINC001167989718 1123086345 /nfs/dbraw/zinc/08/63/45/1123086345.db2.gz FGFXWODIDDPRRX-UHFFFAOYSA-N 0 1 294.333 3.714 20 0 CHADMN C[C@@H]1C[C@H](NCc2cc3c(cccc3O)s2)c2nccn21 ZINC000894911316 1123088166 /nfs/dbraw/zinc/08/81/66/1123088166.db2.gz GHOADHHCQKFSBV-MFKMUULPSA-N 0 1 299.399 3.599 20 0 CHADMN COc1ccc(F)c(NC2=CCSCC2)c1Cl ZINC001201341824 1123089966 /nfs/dbraw/zinc/08/99/66/1123089966.db2.gz FLMKBDBTSVLICV-UHFFFAOYSA-N 0 1 273.760 3.920 20 0 CHADMN C[C@@H](N[C@@H]1COCc2ccccc21)c1ccccc1N(C)C ZINC000417359522 1123090540 /nfs/dbraw/zinc/09/05/40/1123090540.db2.gz ISHVSOGQLGMMGI-RDTXWAMCSA-N 0 1 296.414 3.675 20 0 CHADMN Cc1n[nH]c(CN2CCC[C@H]2c2ccc(F)cc2C)c1C ZINC000894940442 1123091809 /nfs/dbraw/zinc/09/18/09/1123091809.db2.gz IBNBKELJWZMKDC-KRWDZBQOSA-N 0 1 287.382 3.811 20 0 CHADMN c1ccc(CN(Cc2ccccn2)C[C@@H]2CC=CCC2)nc1 ZINC001201407929 1123093711 /nfs/dbraw/zinc/09/37/11/1123093711.db2.gz XKGGWFFRJIQYNC-QGZVFWFLSA-N 0 1 293.414 3.835 20 0 CHADMN CCOc1cccc(NC(=O)c2c(O)cccc2Cl)c1 ZINC000049092503 1123096954 /nfs/dbraw/zinc/09/69/54/1123096954.db2.gz FUDCBZMYSAKAIV-UHFFFAOYSA-N 0 1 291.734 3.697 20 0 CHADMN Cc1cccc2nc(CNc3nc4cc(F)ccc4o3)[nH]c21 ZINC000123164751 1123097100 /nfs/dbraw/zinc/09/71/00/1123097100.db2.gz IYPGPODHJQTGOM-UHFFFAOYSA-N 0 1 296.305 3.764 20 0 CHADMN CCCOc1ccc(Cl)cc1Nc1cncn1C ZINC001201443513 1123105536 /nfs/dbraw/zinc/10/55/36/1123105536.db2.gz FYKUJMXMIUQAOH-UHFFFAOYSA-N 0 1 265.744 3.606 20 0 CHADMN COCc1noc2c1CN(C[C@H](C)CCC=C(C)C)CC2 ZINC001201485688 1123106430 /nfs/dbraw/zinc/10/64/30/1123106430.db2.gz BSPUGILLOYBMGL-CQSZACIVSA-N 0 1 292.423 3.562 20 0 CHADMN CC(C)[C@H](N[C@@H]1CCC12CCC2)c1nc(C2CC2)no1 ZINC000328640311 1123107891 /nfs/dbraw/zinc/10/78/91/1123107891.db2.gz CLVMRXUQQSDENR-OLZOCXBDSA-N 0 1 275.396 3.566 20 0 CHADMN CC(C)=CCC[C@H](C)CN1CCO[C@@H](c2ccccn2)C1 ZINC001201497976 1123111777 /nfs/dbraw/zinc/11/17/77/1123111777.db2.gz ZXHOJJOQLYHFMC-FUHWJXTLSA-N 0 1 288.435 3.837 20 0 CHADMN CCCCOc1ccc(-n2cnc(C)c2N)cc1Cl ZINC001201480183 1123114679 /nfs/dbraw/zinc/11/46/79/1123114679.db2.gz JXQGAAWSUOPIOD-UHFFFAOYSA-N 0 1 279.771 3.595 20 0 CHADMN CCC[C@@H](C)CN(Cc1cccnc1)Cc1cccnc1 ZINC001201551131 1123118704 /nfs/dbraw/zinc/11/87/04/1123118704.db2.gz PXQHKIHHHCOXES-MRXNPFEDSA-N 0 1 283.419 3.915 20 0 CHADMN CCCC[C@@H](CC)CN1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001201562577 1123124392 /nfs/dbraw/zinc/12/43/92/1123124392.db2.gz GGUODNPYVIVFKI-UPJWGTAASA-N 0 1 299.352 3.540 20 0 CHADMN Cc1cccc2nc(CNC(=O)C[C@@H](C)C(C)(C)C)[nH]c21 ZINC000155253505 1129100341 /nfs/dbraw/zinc/10/03/41/1129100341.db2.gz BSXPTJPBYQNJER-GFCCVEGCSA-N 0 1 287.407 3.560 20 0 CHADMN CCSCCN1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000441449412 1123128212 /nfs/dbraw/zinc/12/82/12/1123128212.db2.gz QQJFXAMAPULXMQ-DOTOQJQBSA-N 0 1 293.476 3.818 20 0 CHADMN CCO[C@H](CC)c1noc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000665041930 1123135445 /nfs/dbraw/zinc/13/54/45/1123135445.db2.gz YUPGSZQMZGCTDQ-UONOGXRCSA-N 0 1 293.411 3.637 20 0 CHADMN CCO[C@H](CC)c1noc([C@@H]2CCCN2C2CCCC2)n1 ZINC000665041930 1123135448 /nfs/dbraw/zinc/13/54/48/1123135448.db2.gz YUPGSZQMZGCTDQ-UONOGXRCSA-N 0 1 293.411 3.637 20 0 CHADMN CCCN1Cc2ccc(Br)cc2C[C@H]1C ZINC001201652533 1123135824 /nfs/dbraw/zinc/13/58/24/1123135824.db2.gz PBZRTMASMXYOPB-SNVBAGLBSA-N 0 1 268.198 3.606 20 0 CHADMN CSCCCN1CCc2c(cccc2C(F)(F)F)C1 ZINC001201696732 1123137984 /nfs/dbraw/zinc/13/79/84/1123137984.db2.gz PMUZHLABHDRWIC-UHFFFAOYSA-N 0 1 289.366 3.817 20 0 CHADMN Cc1ccccc1[C@@H]1CN([C@H]2C=CCCC2)[C@H](C)CO1 ZINC000441466409 1123139027 /nfs/dbraw/zinc/13/90/27/1123139027.db2.gz CGFRXLIDKCYNQO-RYRKJORJSA-N 0 1 271.404 3.866 20 0 CHADMN Cc1cncc(CN(C)CCOc2cccc(Cl)c2)c1 ZINC000189750601 1123142663 /nfs/dbraw/zinc/14/26/63/1123142663.db2.gz DAMSTFBRFBLHFP-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN Cc1ccc([C@H]2CSCCN2Cc2cncc(C)c2)cc1 ZINC000189892546 1123144539 /nfs/dbraw/zinc/14/45/39/1123144539.db2.gz KFJJVBBGKYBDPK-GOSISDBHSA-N 0 1 298.455 3.989 20 0 CHADMN CCCCCCN1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC001201753872 1123145767 /nfs/dbraw/zinc/14/57/67/1123145767.db2.gz DLURBVYOKLQMJJ-UHFFFAOYSA-N 0 1 288.435 3.592 20 0 CHADMN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccoc2)c(C)c1C ZINC001201792744 1123150376 /nfs/dbraw/zinc/15/03/76/1123150376.db2.gz QFISSNMMMUNVHX-UHFFFAOYSA-N 0 1 293.388 3.623 20 0 CHADMN CC[C@@H](C)Nc1ccnc(C2(C(F)(F)F)CC2)c1 ZINC001168001236 1123151629 /nfs/dbraw/zinc/15/16/29/1123151629.db2.gz WJJSHUJPYUFZGX-SECBINFHSA-N 0 1 258.287 3.886 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1nnc(-c2ccccc2)s1 ZINC000155339540 1129102251 /nfs/dbraw/zinc/10/22/51/1129102251.db2.gz KZQSXYNCQDJTBE-TXEJJXNPSA-N 0 1 273.405 3.578 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCO[C@@H](c2ccco2)C1 ZINC000133372526 1123161968 /nfs/dbraw/zinc/16/19/68/1123161968.db2.gz HHZUKNMOEZLHQO-QGZVFWFLSA-N 0 1 298.317 3.545 20 0 CHADMN C[C@@H](N(C)C(=O)c1cc(-c2cccs2)[nH]n1)C(C)(C)C ZINC000520508308 1123165203 /nfs/dbraw/zinc/16/52/03/1123165203.db2.gz PASNENOKIRFPMC-SNVBAGLBSA-N 0 1 291.420 3.645 20 0 CHADMN O=C(Nc1ccccc1Cl)Nc1ncc(Cl)cc1O ZINC001202053814 1123170122 /nfs/dbraw/zinc/17/01/22/1123170122.db2.gz NSWUUOWBBRBCOL-UHFFFAOYSA-N 0 1 298.129 3.738 20 0 CHADMN Cc1ncoc1CN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000895082873 1123175983 /nfs/dbraw/zinc/17/59/83/1123175983.db2.gz HWJYCSWZBLHDLC-QGZVFWFLSA-N 0 1 280.371 3.876 20 0 CHADMN CCCC[C@@H](CC)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000022261221 1123177130 /nfs/dbraw/zinc/17/71/30/1123177130.db2.gz STJPUBGMUWUMJI-CYBMUJFWSA-N 0 1 287.407 3.704 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccccn1)c1ccc2c(c1)OCCO2 ZINC000152346641 1123178162 /nfs/dbraw/zinc/17/81/62/1123178162.db2.gz PVGZXXAXHLMBHK-UKRRQHHQSA-N 0 1 298.386 3.655 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccccn1)c1ccc2c(c1)OCCO2 ZINC000152346370 1123178309 /nfs/dbraw/zinc/17/83/09/1123178309.db2.gz PVGZXXAXHLMBHK-ZFWWWQNUSA-N 0 1 298.386 3.655 20 0 CHADMN CC1(C)CCC[C@H]1NCc1nc(-c2ccccc2F)no1 ZINC000191865839 1123182210 /nfs/dbraw/zinc/18/22/10/1123182210.db2.gz OBZCBPGGMVFUIG-CYBMUJFWSA-N 0 1 289.354 3.544 20 0 CHADMN C[C@@H]1COCCN(Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000507784195 1123186139 /nfs/dbraw/zinc/18/61/39/1123186139.db2.gz QGRPTGHLXCLYNR-HNNXBMFYSA-N 0 1 299.389 3.961 20 0 CHADMN CC(C)Oc1ccc(CNCc2ccc(Cl)cn2)cc1 ZINC000776255343 1123188728 /nfs/dbraw/zinc/18/87/28/1123188728.db2.gz UPAOJTUUHASZLJ-UHFFFAOYSA-N 0 1 290.794 3.812 20 0 CHADMN Cc1cc([NH+]=C([O-])N(C)c2ccccc2)c2ccccc2n1 ZINC001202221654 1123189409 /nfs/dbraw/zinc/18/94/09/1123189409.db2.gz VMRQMSUHTDOCHR-UHFFFAOYSA-N 0 1 291.354 3.633 20 0 CHADMN Cn1cccc1C(=O)CN(Cc1ccccc1)CC(C)(C)C ZINC000507788168 1123190473 /nfs/dbraw/zinc/19/04/73/1123190473.db2.gz KJCKTVLRNSKJNC-UHFFFAOYSA-N 0 1 298.430 3.756 20 0 CHADMN CCC(C)(C)[C@H]1CCCN1CC(=O)Nc1ccccc1F ZINC000441663329 1123197461 /nfs/dbraw/zinc/19/74/61/1123197461.db2.gz OIPXZLDZFVMEGA-OAHLLOKOSA-N 0 1 292.398 3.665 20 0 CHADMN CCc1ccc(NCc2n[nH]c(C)c2C)cc1Cl ZINC001202321295 1123199520 /nfs/dbraw/zinc/19/95/20/1123199520.db2.gz HAFXIPYDHKEALU-UHFFFAOYSA-N 0 1 263.772 3.854 20 0 CHADMN CCc1nc(C)c(C[N@H+](CC)Cc2ccc(C)c(C)c2)[nH]1 ZINC001203247308 1123199815 /nfs/dbraw/zinc/19/98/15/1123199815.db2.gz BBEOAYRPMLOZEF-UHFFFAOYSA-N 0 1 285.435 3.919 20 0 CHADMN CCc1nc(C)c(CN(CC)Cc2ccc(C)c(C)c2)[nH]1 ZINC001203247308 1123199817 /nfs/dbraw/zinc/19/98/17/1123199817.db2.gz BBEOAYRPMLOZEF-UHFFFAOYSA-N 0 1 285.435 3.919 20 0 CHADMN COc1ccc2ccccc2c1CN1CCC(=O)[C@@H](C)CC1 ZINC001203987340 1123200568 /nfs/dbraw/zinc/20/05/68/1123200568.db2.gz USUWHHBWWPJNDV-AWEZNQCLSA-N 0 1 297.398 3.649 20 0 CHADMN CCN(Cc1cccs1)Cc1cnc2cc(C)ccn12 ZINC000119994419 1123202833 /nfs/dbraw/zinc/20/28/33/1123202833.db2.gz FVWVQMTUKSCNJV-UHFFFAOYSA-N 0 1 285.416 3.726 20 0 CHADMN Cc1cccc(CNc2ccc3c(n2)CCC3)c1F ZINC001202444596 1123208841 /nfs/dbraw/zinc/20/88/41/1123208841.db2.gz JBRXEUFPVGJUDB-UHFFFAOYSA-N 0 1 256.324 3.630 20 0 CHADMN Cc1c(Cl)cccc1CNc1cccc2[nH]nnc21 ZINC001202466771 1123209093 /nfs/dbraw/zinc/20/90/93/1123209093.db2.gz PBAMYOHFNHNWEI-UHFFFAOYSA-N 0 1 272.739 3.532 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H](C)C2CCCC2)no1 ZINC000184630487 1123209396 /nfs/dbraw/zinc/20/93/96/1123209396.db2.gz JKNDEOYVXYXNGW-ZDUSSCGKSA-N 0 1 285.391 3.713 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc(F)c1F)c1ccc[nH]1 ZINC000776310942 1123213511 /nfs/dbraw/zinc/21/35/11/1123213511.db2.gz VHELZSQLLMKDNZ-UWVGGRQHSA-N 0 1 250.292 3.705 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000155861193 1129106710 /nfs/dbraw/zinc/10/67/10/1129106710.db2.gz KQPCMSYXHWXTGC-IUODEOHRSA-N 0 1 277.412 3.574 20 0 CHADMN Cc1ccc2nc(SC[C@H]3CCC[C@@H](O)C3)[nH]c2c1 ZINC000388839633 1123220864 /nfs/dbraw/zinc/22/08/64/1123220864.db2.gz XXDDHSIXTLVIEF-NWDGAFQWSA-N 0 1 276.405 3.515 20 0 CHADMN CCOc1cc(CN2C3CCC2CC3)cc(Cl)c1O ZINC000520750462 1123224248 /nfs/dbraw/zinc/22/42/48/1123224248.db2.gz JDWYGAHUTPXKFY-UHFFFAOYSA-N 0 1 281.783 3.571 20 0 CHADMN CCn1cncc1CN1CCCCC[C@@H]1c1ccco1 ZINC000417775779 1123230132 /nfs/dbraw/zinc/23/01/32/1123230132.db2.gz OHIPWQSFBNTDSE-OAHLLOKOSA-N 0 1 273.380 3.613 20 0 CHADMN Fc1ccc([C@H](Sc2c[nH]nn2)c2ccccc2)cc1 ZINC000155959974 1129107779 /nfs/dbraw/zinc/10/77/79/1129107779.db2.gz WAYDBJKQKSVFOG-OAHLLOKOSA-N 0 1 285.347 3.826 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccncn1)CCC2 ZINC000334530252 1123243796 /nfs/dbraw/zinc/24/37/96/1123243796.db2.gz IRQXDGCZAUORSU-CXAGYDPISA-N 0 1 267.376 3.513 20 0 CHADMN COCc1csc(CNCc2c(C)cccc2F)c1 ZINC000850159714 1123244152 /nfs/dbraw/zinc/24/41/52/1123244152.db2.gz GPVWUHDHOFKJPF-UHFFFAOYSA-N 0 1 279.380 3.632 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2cnccn2)cc1 ZINC000334558155 1123252829 /nfs/dbraw/zinc/25/28/29/1123252829.db2.gz HMQCJUKLXOHOOE-KRWDZBQOSA-N 0 1 267.376 3.512 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1C(=O)c1[nH]nc2ccccc21 ZINC000156048341 1129109042 /nfs/dbraw/zinc/10/90/42/1129109042.db2.gz CHFPIZJVFAHAJI-SWLSCSKDSA-N 0 1 285.391 3.604 20 0 CHADMN CC[C@H]1C[C@H](CNc2nccc(C)c2C2CC2)CCO1 ZINC000850362352 1123256291 /nfs/dbraw/zinc/25/62/91/1123256291.db2.gz LHXWSRSLXIVBHG-HIFRSBDPSA-N 0 1 274.408 3.885 20 0 CHADMN C1=C[C@@H](NCc2ncc(-c3ccccc3)s2)CC1 ZINC000850359115 1123256374 /nfs/dbraw/zinc/25/63/74/1123256374.db2.gz WYUZSQRXQXYGKN-CYBMUJFWSA-N 0 1 256.374 3.618 20 0 CHADMN CC(C)c1ncc(CN[C@H]2C[C@@H](O)c3ccccc32)s1 ZINC000850372843 1123259140 /nfs/dbraw/zinc/25/91/40/1123259140.db2.gz ZZBFTNZTCXEAJO-LSDHHAIUSA-N 0 1 288.416 3.535 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cc3ccccc3s2)[C@@H]1C(=O)[O-] ZINC000334578568 1123262955 /nfs/dbraw/zinc/26/29/55/1123262955.db2.gz KLWKCVUVTRZOEU-NHYWBVRUSA-N 0 1 289.400 3.586 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccncc1)c1cc2cnccc2o1 ZINC000850419928 1123264494 /nfs/dbraw/zinc/26/44/94/1123264494.db2.gz GPZLZIPXHGUKGN-NWDGAFQWSA-N 0 1 267.332 3.635 20 0 CHADMN CC[C@@H](NC1(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000427987336 1123266871 /nfs/dbraw/zinc/26/68/71/1123266871.db2.gz KHBAXXWGZIZXRT-QGZVFWFLSA-N 0 1 294.398 3.899 20 0 CHADMN CC(C)(C)[C@H]1CCCN1Cc1c(F)ccc(O)c1F ZINC000508187893 1123269068 /nfs/dbraw/zinc/26/90/68/1123269068.db2.gz RXOQDGMEOSVNSH-CYBMUJFWSA-N 0 1 269.335 3.681 20 0 CHADMN Cc1cc(CN(C2CC2)[C@H]2CCCc3ccccc32)nn1C ZINC000487408915 1123273657 /nfs/dbraw/zinc/27/36/57/1123273657.db2.gz COJXOVKKZIYLCL-IBGZPJMESA-N 0 1 295.430 3.771 20 0 CHADMN Cc1[nH]c(SCC(F)(F)F)nc1Cc1ccccc1 ZINC000508272103 1123276333 /nfs/dbraw/zinc/27/63/33/1123276333.db2.gz GBIDLDKHZYRXSF-UHFFFAOYSA-N 0 1 286.322 3.963 20 0 CHADMN CC[C@@H]1CN(C[C@@H](OC(C)C)c2ccccc2)C[C@H](C)O1 ZINC000428224102 1123281163 /nfs/dbraw/zinc/28/11/63/1123281163.db2.gz LSZTWYXQNHMOMC-CGTJXYLNSA-N 0 1 291.435 3.652 20 0 CHADMN CCCc1nc(C)c(CN2CCS[C@@H](C(C)C)C2)o1 ZINC000428209196 1123281926 /nfs/dbraw/zinc/28/19/26/1123281926.db2.gz FOQNXGUJDUIATC-CQSZACIVSA-N 0 1 282.453 3.509 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2C[C@@H](O)c3ccccc32)c(C)o1 ZINC000850528632 1123283152 /nfs/dbraw/zinc/28/31/52/1123283152.db2.gz MFWGJFWKPCLJEG-YMRXKLBXSA-N 0 1 271.360 3.725 20 0 CHADMN C[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1ccc(Cl)nc1 ZINC000850528808 1123283293 /nfs/dbraw/zinc/28/32/93/1123283293.db2.gz NGFBOPUBOAVWNT-LKTVYLICSA-N 0 1 288.778 3.564 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(Cl)c(Cl)c2)n(C)n1 ZINC000850533326 1123286367 /nfs/dbraw/zinc/28/63/67/1123286367.db2.gz VWYKLUZWDSAKPO-JTQLQIEISA-N 0 1 298.217 3.886 20 0 CHADMN CC[C@H](OCCNCc1ccc(OC)o1)c1ccccc1 ZINC000895146002 1123288455 /nfs/dbraw/zinc/28/84/55/1123288455.db2.gz VUTOTNIPRPMKLT-INIZCTEOSA-N 0 1 289.375 3.546 20 0 CHADMN CC(C)(C)C(F)(F)CN[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000850572686 1123294960 /nfs/dbraw/zinc/29/49/60/1123294960.db2.gz NTGLJWQEMITUNP-MXWKQRLJSA-N 0 1 295.464 3.637 20 0 CHADMN Cc1nc([C@H](C)N[C@H]2CCc3cc(N)ccc32)c(C)s1 ZINC000665270254 1123294965 /nfs/dbraw/zinc/29/49/65/1123294965.db2.gz UVWRZZAZJZWMGN-VFZGTOFNSA-N 0 1 287.432 3.680 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2n[nH]c(C(C)C)n2)s1 ZINC000428240303 1123294978 /nfs/dbraw/zinc/29/49/78/1123294978.db2.gz IJUSGDDNLFZYJV-LBPRGKRZSA-N 0 1 290.436 3.635 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1cccc(OC)c1C ZINC000850577178 1123295879 /nfs/dbraw/zinc/29/58/79/1123295879.db2.gz BZJWSZMKWMUYOO-GFCCVEGCSA-N 0 1 288.391 3.713 20 0 CHADMN Cn1cncc1CN[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000113346057 1123298584 /nfs/dbraw/zinc/29/85/84/1123298584.db2.gz YVENHNACGMXQDV-ZDUSSCGKSA-N 0 1 296.201 3.504 20 0 CHADMN COc1ccc(CN[C@H](CCC(C)C)c2ccoc2)cn1 ZINC000428247851 1123311787 /nfs/dbraw/zinc/31/17/87/1123311787.db2.gz OQHYPTQFBLXHEM-MRXNPFEDSA-N 0 1 288.391 3.950 20 0 CHADMN Cc1cc(CN(Cc2ccccc2)CC2CCC2)nn1C ZINC000487415976 1123318059 /nfs/dbraw/zinc/31/80/59/1123318059.db2.gz SHVROTAJIYXIRN-UHFFFAOYSA-N 0 1 283.419 3.531 20 0 CHADMN CCn1ccnc1CN1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000366947837 1123318954 /nfs/dbraw/zinc/31/89/54/1123318954.db2.gz YXWRCKQXEKFPEI-RDJZCZTQSA-N 0 1 283.419 3.671 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@@H](C3CCC3)C2)n1 ZINC000665286103 1123319983 /nfs/dbraw/zinc/31/99/83/1123319983.db2.gz FGEDTKJDQXZGHT-GXTWGEPZSA-N 0 1 277.412 3.595 20 0 CHADMN C/C=C/c1ccc(NC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000335203843 1123321757 /nfs/dbraw/zinc/32/17/57/1123321757.db2.gz HGHGFALRTLOUJD-PMUGQKEBSA-N 0 1 281.359 3.501 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@H]1CCc2sc(Cl)cc21 ZINC000335183508 1123324216 /nfs/dbraw/zinc/32/42/16/1123324216.db2.gz YJUBRDVCCDXCHT-PELKAZGASA-N 0 1 295.839 3.782 20 0 CHADMN CC(C)c1cccc(NC(=O)CN(C(C)C)C2CC2)c1 ZINC000521427252 1123330148 /nfs/dbraw/zinc/33/01/48/1123330148.db2.gz JOSBNMUACAZAML-UHFFFAOYSA-N 0 1 274.408 3.621 20 0 CHADMN C[C@@H](c1noc(-c2ccccc2)n1)N1CC[C@@H](C2CCC2)C1 ZINC000665290347 1123333301 /nfs/dbraw/zinc/33/33/01/1123333301.db2.gz UYHHUUYJJQSNRN-XJKSGUPXSA-N 0 1 297.402 3.920 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](C)c2ccccc2SC)n[nH]1 ZINC000442865897 1123343932 /nfs/dbraw/zinc/34/39/32/1123343932.db2.gz JBOFPJWIAQGXQA-WDEREUQCSA-N 0 1 290.436 3.501 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N1CCO[C@](C)(CC)C1 ZINC000442888625 1123348401 /nfs/dbraw/zinc/34/84/01/1123348401.db2.gz GTKBBRBKPUBUJN-HZPDHXFCSA-N 0 1 265.372 3.778 20 0 CHADMN O=C(Nc1ccc2ccoc2c1)c1ccc(F)cc1O ZINC000442921756 1123348921 /nfs/dbraw/zinc/34/89/21/1123348921.db2.gz FTCZEDHLQJFZBF-UHFFFAOYSA-N 0 1 271.247 3.530 20 0 CHADMN O=C(Nc1ccc2ccoc2c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000442936485 1123350108 /nfs/dbraw/zinc/35/01/08/1123350108.db2.gz SYIZDBYAQSGMER-MRXNPFEDSA-N 0 1 298.386 3.778 20 0 CHADMN NC1(c2nc(-c3c(Cl)cccc3Cl)no2)CCCC1 ZINC000335348087 1123362168 /nfs/dbraw/zinc/36/21/68/1123362168.db2.gz PULGBLLPGQAEEC-UHFFFAOYSA-N 0 1 298.173 3.771 20 0 CHADMN Cc1ccccc1C[C@@H](C)c1nc([C@H](N)CC(C)C)no1 ZINC000634555865 1129116923 /nfs/dbraw/zinc/11/69/23/1129116923.db2.gz XJLDVYYOBTZXAC-UKRRQHHQSA-N 0 1 287.407 3.770 20 0 CHADMN Cc1cccc(Cc2noc([C@H](C)N3[C@H](C)CC[C@@H]3C)n2)c1 ZINC000443200056 1123363878 /nfs/dbraw/zinc/36/38/78/1123363878.db2.gz FHKHFFBXMMOQND-ZNMIVQPWSA-N 0 1 299.418 3.903 20 0 CHADMN CC(C)(C)OCCNCc1cc(Cl)sc1Cl ZINC000312597430 1129117269 /nfs/dbraw/zinc/11/72/69/1129117269.db2.gz HJMYVNXRGGMHTP-UHFFFAOYSA-N 0 1 282.236 3.960 20 0 CHADMN O=C([O-])C[N@@H+](Cc1cc2ccccc2s1)C1CCCC1 ZINC000851706654 1123372627 /nfs/dbraw/zinc/37/26/27/1123372627.db2.gz WWKJYMPAXDMKAR-UHFFFAOYSA-N 0 1 289.400 3.731 20 0 CHADMN CC(C)=CCCN(C)CC(=O)Nc1ccccc1Cl ZINC000851723473 1123375485 /nfs/dbraw/zinc/37/54/85/1123375485.db2.gz HUEJHRNTMCQTFY-UHFFFAOYSA-N 0 1 280.799 3.567 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2cccc(F)n2)c1 ZINC000851734629 1123375713 /nfs/dbraw/zinc/37/57/13/1123375713.db2.gz VPJWMOPCANVHTF-INIZCTEOSA-N 0 1 270.351 3.866 20 0 CHADMN CC(C)N(Cc1cccs1)Cc1cccc(F)n1 ZINC000851735604 1123375738 /nfs/dbraw/zinc/37/57/38/1123375738.db2.gz YQPDSSXQPGTSSK-UHFFFAOYSA-N 0 1 264.369 3.693 20 0 CHADMN CCc1c(C)[nH]n(-c2cc(C(F)(F)F)ccc2F)c1=O ZINC000634615580 1129121864 /nfs/dbraw/zinc/12/18/64/1129121864.db2.gz LFUNBFCVJCANHE-SECBINFHSA-N 0 1 288.244 3.593 20 0 CHADMN CN(C)c1cccc([C@H]2CCCN2Cc2cccc(F)n2)c1 ZINC000851786024 1123380683 /nfs/dbraw/zinc/38/06/83/1123380683.db2.gz VMZUPXBAHYZVLF-QGZVFWFLSA-N 0 1 299.393 3.624 20 0 CHADMN Fc1cccc(C2CCN(Cc3cccc(F)n3)CC2)c1 ZINC000851801548 1123381796 /nfs/dbraw/zinc/38/17/96/1123381796.db2.gz MKUNKAVMZNFFHX-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1cccc(C[N@@H+](CCOC(F)F)Cc2ccco2)c1 ZINC000851824592 1123383050 /nfs/dbraw/zinc/38/30/50/1123383050.db2.gz INNQNAMHGROAEL-UHFFFAOYSA-N 0 1 295.329 3.829 20 0 CHADMN Cc1cccc(CN(CCOC(F)F)Cc2ccco2)c1 ZINC000851824592 1123383053 /nfs/dbraw/zinc/38/30/53/1123383053.db2.gz INNQNAMHGROAEL-UHFFFAOYSA-N 0 1 295.329 3.829 20 0 CHADMN Fc1ccc([C@H](NCc2cccc(F)n2)C2CCC2)cc1 ZINC000851839001 1123385020 /nfs/dbraw/zinc/38/50/20/1123385020.db2.gz ASUGYIKOEAECRL-QGZVFWFLSA-N 0 1 288.341 3.991 20 0 CHADMN C[C@H](N[C@H]1COCc2ccccc21)c1cc(F)cc(F)c1 ZINC000335633056 1123386297 /nfs/dbraw/zinc/38/62/97/1123386297.db2.gz WHFMNFFAKPQJAX-GTNSWQLSSA-N 0 1 289.325 3.887 20 0 CHADMN C[C@H](NCc1cc(C2CC2)no1)c1ccc2c(c1)CCC2 ZINC000851898595 1123387069 /nfs/dbraw/zinc/38/70/69/1123387069.db2.gz VLGAGKSZMGGAPV-LBPRGKRZSA-N 0 1 282.387 3.892 20 0 CHADMN Cc1cccc(C(C)(C)NCc2cccc(F)n2)c1 ZINC000851904125 1123387751 /nfs/dbraw/zinc/38/77/51/1123387751.db2.gz VHYLIUJJFBKTDK-UHFFFAOYSA-N 0 1 258.340 3.554 20 0 CHADMN CC[C@@H](NCc1cc(C2CC2)no1)c1cccs1 ZINC000851923629 1123388602 /nfs/dbraw/zinc/38/86/02/1123388602.db2.gz FEGGKONUHBXHJI-GFCCVEGCSA-N 0 1 262.378 3.854 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cc(C3CC3)no2)s1 ZINC000851928583 1123389793 /nfs/dbraw/zinc/38/97/93/1123389793.db2.gz NTIKWUPNHHJPSF-SNVBAGLBSA-N 0 1 262.378 3.773 20 0 CHADMN FC(F)OCCN(CCC(F)(F)F)Cc1ccccc1 ZINC000851980300 1123392607 /nfs/dbraw/zinc/39/26/07/1123392607.db2.gz FAZACRAFFLKHKM-UHFFFAOYSA-N 0 1 297.267 3.680 20 0 CHADMN CN1Cc2ccc(NCc3ccsc3Cl)cc2C1 ZINC000335692723 1123396041 /nfs/dbraw/zinc/39/60/41/1123396041.db2.gz WTVMFGHOIPMIIM-UHFFFAOYSA-N 0 1 278.808 3.959 20 0 CHADMN C[C@@H](NCC=C(Cl)Cl)[C@H]1OCCc2sccc21 ZINC000852078965 1123396224 /nfs/dbraw/zinc/39/62/24/1123396224.db2.gz XICBBKLJXBZJPT-PRHODGIISA-N 0 1 292.231 3.659 20 0 CHADMN O=C1[C@@H]2CCCCCCC2=NN1c1nc2ccccc2s1 ZINC000634585939 1129119002 /nfs/dbraw/zinc/11/90/02/1129119002.db2.gz WZAYSPMVMLBMBZ-LLVKDONJSA-N 0 1 299.399 3.969 20 0 CHADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C/C=C\Cl ZINC000852128293 1123398044 /nfs/dbraw/zinc/39/80/44/1123398044.db2.gz KLBKHPJXSWYJGJ-RWIWAZIYSA-N 0 1 284.190 3.962 20 0 CHADMN CC[C@H]1C(=O)N(c2nc3ccccc3s2)N=C1C(C)C ZINC000634585854 1129119190 /nfs/dbraw/zinc/11/91/90/1129119190.db2.gz UHZCNCCQWKLYKQ-SNVBAGLBSA-N 0 1 287.388 3.681 20 0 CHADMN CCCCn1cc(CN[C@H](C)c2cccc(O)c2)c(C)n1 ZINC000442864279 1123400903 /nfs/dbraw/zinc/40/09/03/1123400903.db2.gz GABNXPQESPRRCB-CYBMUJFWSA-N 0 1 287.407 3.548 20 0 CHADMN Cc1oc(C(C)(C)C)cc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000895186217 1123401601 /nfs/dbraw/zinc/40/16/01/1123401601.db2.gz UYEGNQZEMMJWIA-TXEJJXNPSA-N 0 1 269.335 3.582 20 0 CHADMN CC(C)CCOc1ccc(NCc2cnc[nH]2)cc1F ZINC000895190299 1123402913 /nfs/dbraw/zinc/40/29/13/1123402913.db2.gz LKDAKIYJCNABCA-UHFFFAOYSA-N 0 1 277.343 3.586 20 0 CHADMN CCC(=O)CCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000852426686 1123405141 /nfs/dbraw/zinc/40/51/41/1123405141.db2.gz OFPQLJBCRXYGRU-HNNXBMFYSA-N 0 1 261.365 3.566 20 0 CHADMN CC(C)c1cnc(CN[C@@H]2Cc3ccccc3[C@@H]2C)o1 ZINC000852467306 1123405844 /nfs/dbraw/zinc/40/58/44/1123405844.db2.gz BXUCZHOIMJERLC-SWLSCSKDSA-N 0 1 270.376 3.616 20 0 CHADMN CC[C@@H](NCc1ccc(O)c(F)c1)c1ccccc1F ZINC000895199439 1123406640 /nfs/dbraw/zinc/40/66/40/1123406640.db2.gz JYIYXSNHQZHQAW-OAHLLOKOSA-N 0 1 277.314 3.911 20 0 CHADMN O=c1cc(C2CCC2)[nH]n1Cc1ccc(Cl)cc1Cl ZINC000634591716 1129119755 /nfs/dbraw/zinc/11/97/55/1129119755.db2.gz LLLGOXHVFMJKGC-UHFFFAOYSA-N 0 1 297.185 3.882 20 0 CHADMN COCCCC1(CN2Cc3ccc(OC)cc3C2)CCC1 ZINC000895216728 1123410381 /nfs/dbraw/zinc/41/03/81/1123410381.db2.gz ZQKGYPNMBCRTLQ-UHFFFAOYSA-N 0 1 289.419 3.608 20 0 CHADMN CSc1ccc(-n2[nH]c3c(c2=O)C[C@H](C)CC3)cc1 ZINC000634594375 1129119934 /nfs/dbraw/zinc/11/99/34/1129119934.db2.gz UHSMRYHDUYPBKH-ZWNOBZJWSA-N 0 1 274.389 3.547 20 0 CHADMN C[C@@H]1CC[C@H](NCc2ccc(F)cn2)c2ccccc21 ZINC000335715128 1123414678 /nfs/dbraw/zinc/41/46/78/1123414678.db2.gz PPWCACDHRFGQQW-PXAZEXFGSA-N 0 1 270.351 3.949 20 0 CHADMN Cc1cnc([C@@H](C)N[C@@H](C)c2ccc3c(c2)CCCO3)cn1 ZINC000852782920 1123415604 /nfs/dbraw/zinc/41/56/04/1123415604.db2.gz XCDQMSCFNWGRAC-UONOGXRCSA-N 0 1 297.402 3.522 20 0 CHADMN Cc1ccnc(CN[C@@H](C)c2ccc3c(c2)CCCO3)c1 ZINC000852783243 1123415699 /nfs/dbraw/zinc/41/56/99/1123415699.db2.gz ZEPHYWLYCRCFJX-AWEZNQCLSA-N 0 1 282.387 3.566 20 0 CHADMN Cc1nc(F)ccc1CN[C@@]1(c2ccccc2)CC1(C)C ZINC000853091851 1123423836 /nfs/dbraw/zinc/42/38/36/1123423836.db2.gz WEKWYVHXYUNBEF-GOSISDBHSA-N 0 1 284.378 3.944 20 0 CHADMN Cc1[nH]n(-c2ccc(Cl)c(C(F)(F)F)c2)c(=O)c1C ZINC000634614102 1129120781 /nfs/dbraw/zinc/12/07/81/1129120781.db2.gz RTLXOYIKZOKGCS-LURJTMIESA-N 0 1 290.672 3.717 20 0 CHADMN CCCc1[nH]n(-c2ccnc3ccccc32)c(=O)c1CC ZINC000634603299 1129120913 /nfs/dbraw/zinc/12/09/13/1129120913.db2.gz VPNYBAUQVDQKGU-GFCCVEGCSA-N 0 1 281.359 3.764 20 0 CHADMN O=C1[C@@H]2CCCCCC2=NN1c1ccnc2ccccc21 ZINC000634603162 1129120993 /nfs/dbraw/zinc/12/09/93/1129120993.db2.gz QQCBSTQSXBUZDE-CYBMUJFWSA-N 0 1 279.343 3.518 20 0 CHADMN O=c1c2c([nH]n1-c1ccnc3ccccc31)CCCCC2 ZINC000634603162 1129120994 /nfs/dbraw/zinc/12/09/94/1129120994.db2.gz QQCBSTQSXBUZDE-CYBMUJFWSA-N 0 1 279.343 3.518 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000853239416 1123429246 /nfs/dbraw/zinc/42/92/46/1123429246.db2.gz ASCLJBUHRKEOKW-JSGCOSHPSA-N 0 1 297.402 3.522 20 0 CHADMN CCN(C)[C@@H](C(=O)N(C)c1ccc(C)cc1)c1ccccc1 ZINC000111223992 1123432176 /nfs/dbraw/zinc/43/21/76/1123432176.db2.gz KTMPYICOTSXBBP-GOSISDBHSA-N 0 1 296.414 3.651 20 0 CHADMN CCC1(CC)[C@H](N(C)Cc2nc(C)sc2C)C[C@@H]1OC ZINC000443581470 1123437490 /nfs/dbraw/zinc/43/74/90/1123437490.db2.gz MLZAAZAUXMNPOV-CABCVRRESA-N 0 1 296.480 3.785 20 0 CHADMN Oc1ccc2c(c1)[C@@H](NCc1cccc3c1NCCC3)CC2 ZINC000895279526 1123438134 /nfs/dbraw/zinc/43/81/34/1123438134.db2.gz VGSDHBQLYQRBGG-SFHVURJKSA-N 0 1 294.398 3.527 20 0 CHADMN CC(C)c1cc(=O)n(Cc2cccc(Cl)c2Cl)[nH]1 ZINC000634624017 1129121762 /nfs/dbraw/zinc/12/17/62/1129121762.db2.gz VUXSPHQOSBHWBQ-UHFFFAOYSA-N 0 1 285.174 3.738 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000443614568 1123444538 /nfs/dbraw/zinc/44/45/38/1123444538.db2.gz DYKAKCJDQXJVMJ-QWRGUYRKSA-N 0 1 292.329 3.850 20 0 CHADMN CC[C@H]1CCCN1Cc1coc(-c2c(F)cccc2F)n1 ZINC000443614053 1123444639 /nfs/dbraw/zinc/44/46/39/1123444639.db2.gz KOXVVMUZMDUUQE-LBPRGKRZSA-N 0 1 292.329 3.994 20 0 CHADMN CC(C)[C@H](C)[N@@H+](C)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000443619296 1123448817 /nfs/dbraw/zinc/44/88/17/1123448817.db2.gz BEVUBUYPXUVCIN-LBPRGKRZSA-N 0 1 293.361 3.627 20 0 CHADMN Cc1cccc2c1CC[C@H]2NCc1ccc(Cl)cn1 ZINC000335869096 1123452628 /nfs/dbraw/zinc/45/26/28/1123452628.db2.gz UPKQJXIBOSDMCE-MRXNPFEDSA-N 0 1 272.779 3.821 20 0 CHADMN CCCC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000335885836 1123458907 /nfs/dbraw/zinc/45/89/07/1123458907.db2.gz PLIZMMKPIQRKOM-ZDUSSCGKSA-N 0 1 291.782 3.680 20 0 CHADMN CC(C)c1cnc(CN2CCC3(CCOCC3)CC2)s1 ZINC000335888934 1123459136 /nfs/dbraw/zinc/45/91/36/1123459136.db2.gz AQINCGOSURYDAQ-UHFFFAOYSA-N 0 1 294.464 3.659 20 0 CHADMN Cc1c(Cl)cccc1-c1noc([C@@H]2C[C@H](C)CCN2)n1 ZINC001211880549 1123467364 /nfs/dbraw/zinc/46/73/64/1123467364.db2.gz HZRXNCDCSCUCMT-RNCFNFMXSA-N 0 1 291.782 3.759 20 0 CHADMN Cc1cc(-c2noc([C@@H]3C[C@H](C)CCN3)n2)cc(C)c1F ZINC001211880882 1123470007 /nfs/dbraw/zinc/47/00/07/1123470007.db2.gz PTZFQAVHSQOOMB-RNCFNFMXSA-N 0 1 289.354 3.553 20 0 CHADMN CC[C@@H](O)c1cccc(-c2ccc(F)c(CN(C)C)c2)c1 ZINC000854197259 1123475023 /nfs/dbraw/zinc/47/50/23/1123475023.db2.gz DNNLIHHWMUMOFG-GOSISDBHSA-N 0 1 287.378 3.998 20 0 CHADMN CC(C)Cc1ccc(CN[C@H]2CCc3ccc(O)cc32)cn1 ZINC000895396840 1123476064 /nfs/dbraw/zinc/47/60/64/1123476064.db2.gz KSYLSHVUDHJYNS-IBGZPJMESA-N 0 1 296.414 3.763 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CCC[C@H]1c1ccncc1 ZINC000428289956 1123483048 /nfs/dbraw/zinc/48/30/48/1123483048.db2.gz VTXKTMJBGTWBSA-HNNXBMFYSA-N 0 1 285.391 3.839 20 0 CHADMN COc1ccc(CN[C@@H]2CCCc3c(C)cccc32)o1 ZINC000895463213 1123483210 /nfs/dbraw/zinc/48/32/10/1123483210.db2.gz MEKIPBNQBYLDFV-MRXNPFEDSA-N 0 1 271.360 3.764 20 0 CHADMN Cc1cc2c(c(C)c1)[C@H](NCc1cn3ccccc3n1)CC2 ZINC000655682254 1123485148 /nfs/dbraw/zinc/48/51/48/1123485148.db2.gz CKVBGCCJWUDKEN-QGZVFWFLSA-N 0 1 291.398 3.728 20 0 CHADMN Cn1ncc(CN[C@]2(c3ccccc3)CC2(C)C)c1C1CC1 ZINC000895480711 1123485184 /nfs/dbraw/zinc/48/51/84/1123485184.db2.gz HOBZUVYMGVFYMT-IBGZPJMESA-N 0 1 295.430 3.713 20 0 CHADMN CCN(Cc1cc(C)no1)[C@@H](C)c1cccc(OC)c1 ZINC000052706003 1123494025 /nfs/dbraw/zinc/49/40/25/1123494025.db2.gz GJGOKNONPQCITQ-ZDUSSCGKSA-N 0 1 274.364 3.575 20 0 CHADMN C[C@@]1(F)CCCN(Cc2c[nH]c3c2cccc3F)C1 ZINC001137051125 1123496690 /nfs/dbraw/zinc/49/66/90/1123496690.db2.gz FVLZSHPJWOABEN-OAHLLOKOSA-N 0 1 264.319 3.631 20 0 CHADMN C[C@@H](c1cccc2ccccc21)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000398936931 1123496807 /nfs/dbraw/zinc/49/68/07/1123496807.db2.gz UXTUGORXDMJYOK-IJEWVQPXSA-N 0 1 297.398 3.943 20 0 CHADMN COCCCC1(CN2Cc3cccc(OC)c3C2)CCC1 ZINC000895634405 1123498266 /nfs/dbraw/zinc/49/82/66/1123498266.db2.gz JMBJKSBTHGMMLP-UHFFFAOYSA-N 0 1 289.419 3.608 20 0 CHADMN CCC[C@@H]1CN(C[C@@H](OC(C)C)c2ccccc2)CCO1 ZINC000428293238 1123501443 /nfs/dbraw/zinc/50/14/43/1123501443.db2.gz HBIWSMQLYMGTHD-QZTJIDSGSA-N 0 1 291.435 3.654 20 0 CHADMN F[C@H](c1ccc(NCc2cnc[nH]2)cc1)C(F)(F)F ZINC000895680370 1123505195 /nfs/dbraw/zinc/50/51/95/1123505195.db2.gz KXQDVFDRQQPQHK-LLVKDONJSA-N 0 1 273.233 3.595 20 0 CHADMN CN(CCCF)Cc1ccc(CSC(F)F)o1 ZINC000895898506 1123527788 /nfs/dbraw/zinc/52/77/88/1123527788.db2.gz VJNOVPYTHVRHAF-UHFFFAOYSA-N 0 1 267.316 3.527 20 0 CHADMN CN(CCCF)Cc1cnc(-c2ccccc2F)s1 ZINC000895896660 1123530181 /nfs/dbraw/zinc/53/01/81/1123530181.db2.gz YHAMUFSGGFXJOC-UHFFFAOYSA-N 0 1 282.359 3.741 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3cccc4cccc2c43)nn1 ZINC000895933103 1123532051 /nfs/dbraw/zinc/53/20/51/1123532051.db2.gz AAFKFQGAEOEVIM-GOSISDBHSA-N 0 1 289.382 3.715 20 0 CHADMN C[C@@H](N[C@H]1CCc2cccc3cccc1c32)c1cnccn1 ZINC000895933148 1123532076 /nfs/dbraw/zinc/53/20/76/1123532076.db2.gz BCXQSKIPHNIZHD-DYVFJYSZSA-N 0 1 289.382 3.968 20 0 CHADMN Cc1cc(F)cc(C(=O)Nc2cc(F)cc(Cl)c2O)c1 ZINC000474450362 1123532465 /nfs/dbraw/zinc/53/24/65/1123532465.db2.gz XALBFSNIEXBUFO-UHFFFAOYSA-N 0 1 297.688 3.885 20 0 CHADMN CC[C@@H](NCc1ccnn1CC)c1sccc1Cl ZINC000883238010 1123538163 /nfs/dbraw/zinc/53/81/63/1123538163.db2.gz PHRPRZPITNCIHM-GFCCVEGCSA-N 0 1 283.828 3.859 20 0 CHADMN CCSc1ccc(CNCc2c(C)noc2CC)cc1 ZINC000895994116 1123540300 /nfs/dbraw/zinc/54/03/00/1123540300.db2.gz HCODQZOAYCRJCW-UHFFFAOYSA-N 0 1 290.432 3.947 20 0 CHADMN CCCCCC[C@@H](CC)CN(C)C(=O)c1cnc(C)[nH]1 ZINC000856299651 1123556340 /nfs/dbraw/zinc/55/63/40/1123556340.db2.gz BZQJUASJEDREHP-CQSZACIVSA-N 0 1 279.428 3.787 20 0 CHADMN CCCCCC[C@H](CC)CN(C)C(=O)c1cnc(C)[nH]1 ZINC000856299650 1123556420 /nfs/dbraw/zinc/55/64/20/1123556420.db2.gz BZQJUASJEDREHP-AWEZNQCLSA-N 0 1 279.428 3.787 20 0 CHADMN CCc1cccc(F)c1CNCc1ccc(C)c(OC)c1 ZINC000474616091 1123559842 /nfs/dbraw/zinc/55/98/42/1123559842.db2.gz AXNYSOQUNBRFQL-UHFFFAOYSA-N 0 1 287.378 3.995 20 0 CHADMN CCc1ccc(CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)o1 ZINC000896229082 1123563336 /nfs/dbraw/zinc/56/33/36/1123563336.db2.gz ZMASZNPUDQEDSR-GFCCVEGCSA-N 0 1 291.288 3.708 20 0 CHADMN CCC[C@@H](NCc1cn(C)nc1Cl)c1ccccc1 ZINC000856765021 1123567095 /nfs/dbraw/zinc/56/70/95/1123567095.db2.gz UBILMUYMXNTTNU-CQSZACIVSA-N 0 1 277.799 3.705 20 0 CHADMN CC[C@@H](NCc1cn(C)nc1Cl)c1ccc(C)cc1 ZINC000856763943 1123567174 /nfs/dbraw/zinc/56/71/74/1123567174.db2.gz LKWUCEULRWJJQP-CQSZACIVSA-N 0 1 277.799 3.623 20 0 CHADMN Cn1cc(CN[C@@H]2CC(C)(C)c3ccccc32)c(Cl)n1 ZINC000856773665 1123567955 /nfs/dbraw/zinc/56/79/55/1123567955.db2.gz OSEZVKOWPXZOOI-CQSZACIVSA-N 0 1 289.810 3.586 20 0 CHADMN Cn1cc(CN[C@H]2CC(C)(C)c3ccccc32)c(Cl)n1 ZINC000856773664 1123568416 /nfs/dbraw/zinc/56/84/16/1123568416.db2.gz OSEZVKOWPXZOOI-AWEZNQCLSA-N 0 1 289.810 3.586 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CCCCCCC1 ZINC000896302742 1123570322 /nfs/dbraw/zinc/57/03/22/1123570322.db2.gz XYRGJUDCIHNQIU-GFCCVEGCSA-N 0 1 265.401 3.694 20 0 CHADMN OCCCCCCCN[C@@H](C(F)F)C1CCCCC1 ZINC000856824310 1123571653 /nfs/dbraw/zinc/57/16/53/1123571653.db2.gz FJSGQBLNWLSYRE-CQSZACIVSA-N 0 1 277.399 3.733 20 0 CHADMN FCCN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000759331417 1123572677 /nfs/dbraw/zinc/57/26/77/1123572677.db2.gz CWTLZENLWYIPIU-QGZVFWFLSA-N 0 1 255.336 3.604 20 0 CHADMN Cc1nccnc1CN1CCCC[C@@H]1c1ccccc1 ZINC000857038951 1123580829 /nfs/dbraw/zinc/58/08/29/1123580829.db2.gz JFDREXFKKZBSCE-QGZVFWFLSA-N 0 1 267.376 3.512 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)N(Cc2cn(C)nc2Cl)C1 ZINC000857045942 1123581832 /nfs/dbraw/zinc/58/18/32/1123581832.db2.gz AZEMHGYNJUHGOT-WFASDCNBSA-N 0 1 289.810 3.657 20 0 CHADMN COc1cc(CN2CCC[C@@H](C)C2)cc(Cl)c1OC ZINC000157686982 1129132263 /nfs/dbraw/zinc/13/22/63/1129132263.db2.gz WFIYNQTWZSFXQF-LLVKDONJSA-N 0 1 283.799 3.589 20 0 CHADMN Cc1coc(CN(Cc2ccccn2)CC(C)C)c1 ZINC000896661859 1123610572 /nfs/dbraw/zinc/61/05/72/1123610572.db2.gz YTWXIYWHQGHFOF-UHFFFAOYSA-N 0 1 258.365 3.641 20 0 CHADMN Cc1noc(C)c1CN[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000289206710 1129133269 /nfs/dbraw/zinc/13/32/69/1129133269.db2.gz KCFAPVOAKIBPAF-KRWDZBQOSA-N 0 1 295.386 3.940 20 0 CHADMN COc1ccc([C@@H](N[C@H]2CCCc3c[nH]nc32)C2CC2)cc1 ZINC000857847234 1123621000 /nfs/dbraw/zinc/62/10/00/1123621000.db2.gz XMAKZCOEQFUDKH-IRXDYDNUSA-N 0 1 297.402 3.537 20 0 CHADMN c1n[nH]c2c1CCC[C@H]2Nc1ccc2oc(C3CC3)nc2c1 ZINC000857862075 1123623289 /nfs/dbraw/zinc/62/32/89/1123623289.db2.gz XWZAZHCMWRMDCA-CYBMUJFWSA-N 0 1 294.358 3.918 20 0 CHADMN CC[C@@H](OCCN[C@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000857872428 1123624746 /nfs/dbraw/zinc/62/47/46/1123624746.db2.gz MPMXQJHAEYOKCN-DLBZAZTESA-N 0 1 299.418 3.545 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H]1CCc2ccc(Cl)nc21 ZINC000857905319 1123624944 /nfs/dbraw/zinc/62/49/44/1123624944.db2.gz CWMJYAZBWPUMBD-BXUZGUMPSA-N 0 1 287.794 3.777 20 0 CHADMN Clc1ccc2c(n1)[C@@H](N[C@@H](c1cccnc1)C1CC1)CC2 ZINC000857906155 1123625529 /nfs/dbraw/zinc/62/55/29/1123625529.db2.gz BNEFKRPPIGDPOE-GOEBONIOSA-N 0 1 299.805 3.858 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccc(OC)c(C)c2)o1 ZINC000896802928 1123628316 /nfs/dbraw/zinc/62/83/16/1123628316.db2.gz HBRDHDMBTISFBI-ZDUSSCGKSA-N 0 1 289.375 3.846 20 0 CHADMN Cc1occc1CN1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858020532 1123628367 /nfs/dbraw/zinc/62/83/67/1123628367.db2.gz QQUYMGIKPMZJIW-KRWDZBQOSA-N 0 1 298.386 3.514 20 0 CHADMN C[C@H](NCc1ccnc(F)c1)c1ccc(OC(F)F)cc1 ZINC000858090561 1123630199 /nfs/dbraw/zinc/63/01/99/1123630199.db2.gz IVXKWAUQYGXRHZ-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN CC(C)Oc1cccc([C@H](C)NCc2ccnc(F)c2)c1 ZINC000858099194 1123631210 /nfs/dbraw/zinc/63/12/10/1123631210.db2.gz LBSVOTMPBNKRKW-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN CC(C)O[C@@H](CN1CCC[C@H]1c1ncc[nH]1)c1ccccc1 ZINC000428306166 1123631556 /nfs/dbraw/zinc/63/15/56/1123631556.db2.gz OAIXTLTWDRZNEI-IRXDYDNUSA-N 0 1 299.418 3.713 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@H](C)c1ccnn1C ZINC000192249304 1123637390 /nfs/dbraw/zinc/63/73/90/1123637390.db2.gz VAFNMXVEVSQDFN-TZMCWYRMSA-N 0 1 287.407 3.686 20 0 CHADMN Fc1ccc(C2(CNCc3cocn3)CCCCC2)cc1 ZINC000192295068 1123638751 /nfs/dbraw/zinc/63/87/51/1123638751.db2.gz ONYAOCRMJBCTRJ-UHFFFAOYSA-N 0 1 288.366 3.805 20 0 CHADMN Cc1cccc([C@H](NCc2cn(C)nc2Cl)C(C)C)c1 ZINC000858286637 1123641440 /nfs/dbraw/zinc/64/14/40/1123641440.db2.gz DYSYXEDEIDVQFC-OAHLLOKOSA-N 0 1 291.826 3.869 20 0 CHADMN C[C@@H](NC[C@@H]1CCC=CO1)c1c(F)cccc1Cl ZINC000194498614 1129135307 /nfs/dbraw/zinc/13/53/07/1129135307.db2.gz FAVJXSMXEMFYSG-MNOVXSKESA-N 0 1 269.747 3.822 20 0 CHADMN CCN(CC1CC1)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000157957177 1129135370 /nfs/dbraw/zinc/13/53/70/1129135370.db2.gz NGJVYLWTDVSLBO-LLVKDONJSA-N 0 1 250.386 3.765 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1cn3ccccc3n1)CC2 ZINC000671117680 1129135448 /nfs/dbraw/zinc/13/54/48/1129135448.db2.gz KXSIAVQKGWCBEQ-RHSMWYFYSA-N 0 1 291.398 3.981 20 0 CHADMN CSc1ccc(CN[C@H](C)c2ccns2)s1 ZINC000858316759 1123644246 /nfs/dbraw/zinc/64/42/46/1123644246.db2.gz KXPZPRFNTHFMAL-MRVPVSSYSA-N 0 1 270.448 3.777 20 0 CHADMN C[C@@H](NCC1(O)CCC1)c1cc(Cl)sc1Cl ZINC000167487037 1123649896 /nfs/dbraw/zinc/64/98/96/1123649896.db2.gz YTUSCXOVJRBCDW-SSDOTTSWSA-N 0 1 280.220 3.621 20 0 CHADMN C[C@@H]1C[C@@H](Nc2ncc(-c3ccccc3)s2)CC[N@H+]1C ZINC000475041358 1123654445 /nfs/dbraw/zinc/65/44/45/1123654445.db2.gz XPLROPMTVDCDAQ-OCCSQVGLSA-N 0 1 287.432 3.705 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@@H](C)c1ccns1)CCC2 ZINC000858576446 1123663686 /nfs/dbraw/zinc/66/36/86/1123663686.db2.gz KMXSVWBHZQDDNF-WCBMZHEXSA-N 0 1 279.434 3.636 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccns1)c1ccc(-n2cccn2)cc1 ZINC000858577561 1123664959 /nfs/dbraw/zinc/66/49/59/1123664959.db2.gz KZSFIGIAMZLQDL-OLZOCXBDSA-N 0 1 298.415 3.741 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](Cc2ncccc2Cl)CC1 ZINC001307479378 1123665418 /nfs/dbraw/zinc/66/54/18/1123665418.db2.gz URMNUVMPJBWHLE-CYBMUJFWSA-N 0 1 266.816 3.993 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1ccns1 ZINC000858578702 1123666016 /nfs/dbraw/zinc/66/60/16/1123666016.db2.gz QTOJZSJCLMONNF-RISCZKNCSA-N 0 1 258.390 3.790 20 0 CHADMN CCc1cnc(C[N@@H+](CC)CCc2ccccc2)s1 ZINC000346135999 1123668137 /nfs/dbraw/zinc/66/81/37/1123668137.db2.gz OZLOPMVHPRJFNK-UHFFFAOYSA-N 0 1 274.433 3.770 20 0 CHADMN CCc1cnc(CN(CC)CCc2ccccc2)s1 ZINC000346135999 1123668139 /nfs/dbraw/zinc/66/81/39/1123668139.db2.gz OZLOPMVHPRJFNK-UHFFFAOYSA-N 0 1 274.433 3.770 20 0 CHADMN CCc1cnc(C[N@H+]2CC[C@@H](C)C[C@H](C)C2)s1 ZINC000346184770 1123668534 /nfs/dbraw/zinc/66/85/34/1123668534.db2.gz XPAKMEUWUABFRS-NEPJUHHUSA-N 0 1 252.427 3.574 20 0 CHADMN CCc1cnc(CN2CC[C@H]2Cc2ccccc2)s1 ZINC000346172332 1123669749 /nfs/dbraw/zinc/66/97/49/1123669749.db2.gz OOVUOZYGMALUEA-AWEZNQCLSA-N 0 1 272.417 3.523 20 0 CHADMN CCc1cnc(CN2CCC3(C2)CCCCC3)s1 ZINC000346202381 1123672140 /nfs/dbraw/zinc/67/21/40/1123672140.db2.gz INOGMEGPJSQGPJ-UHFFFAOYSA-N 0 1 264.438 3.862 20 0 CHADMN Cc1ccccc1[C@H](C)N(C)Cc1ccnc(F)c1 ZINC000859088013 1123683474 /nfs/dbraw/zinc/68/34/74/1123683474.db2.gz GHXZAXYCGCXMOX-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN CCN(Cc1coc(-c2ccccc2F)n1)C(C)C ZINC000859087519 1123683572 /nfs/dbraw/zinc/68/35/72/1123683572.db2.gz KEZKSMOEHSHBIC-UHFFFAOYSA-N 0 1 262.328 3.711 20 0 CHADMN Cc1ccccc1C1CCN(Cc2ccnc(F)c2)CC1 ZINC000859131271 1123686245 /nfs/dbraw/zinc/68/62/45/1123686245.db2.gz NVJJQAZHSXPFOW-UHFFFAOYSA-N 0 1 284.378 3.909 20 0 CHADMN Fc1ccc([C@@H](NCC2CCC2)c2cccnc2)c(F)c1 ZINC000346480934 1123688991 /nfs/dbraw/zinc/68/89/91/1123688991.db2.gz GYHHNHPNLCVKNC-KRWDZBQOSA-N 0 1 288.341 3.839 20 0 CHADMN Clc1cccnc1CN1CCCC2(CCCC2)C1 ZINC000859270671 1123693218 /nfs/dbraw/zinc/69/32/18/1123693218.db2.gz VZTNHJCBPKVXMF-UHFFFAOYSA-N 0 1 264.800 3.891 20 0 CHADMN C[C@]1(c2ccc(F)cc2)CCN(Cc2ccnc(F)c2)C1 ZINC000859290838 1123693941 /nfs/dbraw/zinc/69/39/41/1123693941.db2.gz QAYWEIALEDMFGZ-KRWDZBQOSA-N 0 1 288.341 3.523 20 0 CHADMN CC(C)(C)c1nnc(CN[C@@H]2CCC(C)(C)C2)s1 ZINC000346619766 1123698653 /nfs/dbraw/zinc/69/86/53/1123698653.db2.gz HSOHYKMFFFLHTH-SNVBAGLBSA-N 0 1 267.442 3.504 20 0 CHADMN COc1ccc(CN2CCCC[C@@H]2C(C)=O)c2ccccc12 ZINC001203994228 1123699068 /nfs/dbraw/zinc/69/90/68/1123699068.db2.gz AEHKTLCCFYQMHQ-GOSISDBHSA-N 0 1 297.398 3.792 20 0 CHADMN Clc1ccccc1CNc1ccc2nc[nH]c2c1 ZINC000346655749 1123705377 /nfs/dbraw/zinc/70/53/77/1123705377.db2.gz VDQCYOHWNUDXCZ-UHFFFAOYSA-N 0 1 257.724 3.828 20 0 CHADMN Cc1nn(C(C)C)cc1CNCc1ccc(F)c(C)c1 ZINC000281398857 1123705578 /nfs/dbraw/zinc/70/55/78/1123705578.db2.gz PNAYQSPDHNWWBQ-UHFFFAOYSA-N 0 1 275.371 3.510 20 0 CHADMN CCc1nnc([C@@H](C)Sc2nc3ccc(C)cc3[nH]2)o1 ZINC000346668671 1123706154 /nfs/dbraw/zinc/70/61/54/1123706154.db2.gz FWSIAFYIHPADPU-SECBINFHSA-N 0 1 288.376 3.670 20 0 CHADMN CC(C)(CC[N@H+]1CCCC[C@@H]1Cc1ccccc1)C(=O)[O-] ZINC000859785750 1123709285 /nfs/dbraw/zinc/70/92/85/1123709285.db2.gz SXXINBKYQIFHQC-MRXNPFEDSA-N 0 1 289.419 3.585 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc3ccccc3n2)cn1 ZINC000346789869 1123712467 /nfs/dbraw/zinc/71/24/67/1123712467.db2.gz DWGKCTLVJWPULJ-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN COc1ccnc(NCc2ccc(C)c(Cl)c2)c1 ZINC000444001616 1123719428 /nfs/dbraw/zinc/71/94/28/1123719428.db2.gz IQZCJCGAFVVSLN-UHFFFAOYSA-N 0 1 262.740 3.664 20 0 CHADMN CN(Cc1nnc(-c2cccc3ccccc32)o1)CC1CC1 ZINC000639454464 1123720598 /nfs/dbraw/zinc/72/05/98/1123720598.db2.gz CGJYVRIPVYXERN-UHFFFAOYSA-N 0 1 293.370 3.732 20 0 CHADMN COc1ccncc1CN(Cc1ccc(C)s1)C(C)C ZINC000346843095 1123726418 /nfs/dbraw/zinc/72/64/18/1123726418.db2.gz WBSALICZHFAHMW-UHFFFAOYSA-N 0 1 290.432 3.871 20 0 CHADMN C[C@H](NCCOC1CCC1)c1ccc(F)cc1Cl ZINC000346907616 1123731773 /nfs/dbraw/zinc/73/17/73/1123731773.db2.gz OYQXJXGPUOSZSY-JTQLQIEISA-N 0 1 271.763 3.699 20 0 CHADMN COc1ccncc1CN[C@H]1c2ccccc2CCC1(C)C ZINC000346962058 1123735318 /nfs/dbraw/zinc/73/53/18/1123735318.db2.gz LVGLCMHNGMOVBI-SFHVURJKSA-N 0 1 296.414 3.894 20 0 CHADMN COc1ccncc1CN1CCC[C@H]1/C=C/c1ccccc1 ZINC000346954480 1123736069 /nfs/dbraw/zinc/73/60/69/1123736069.db2.gz GIZVZZKRBZGKDX-BBVFFXRHSA-N 0 1 294.398 3.768 20 0 CHADMN Fc1cccc(CCN2CCC[C@@H]2c2cccnc2)c1F ZINC000346991377 1123739646 /nfs/dbraw/zinc/73/96/46/1123739646.db2.gz IFRPCFAHKZTXAX-MRXNPFEDSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H](c2ccccc2)C2CC2)cn1 ZINC000428327307 1123749152 /nfs/dbraw/zinc/74/91/52/1123749152.db2.gz SJZHRRZRJQFARF-CXAGYDPISA-N 0 1 267.376 3.587 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N1CC[C@](C)(C(N)=O)C1 ZINC000336310937 1123759723 /nfs/dbraw/zinc/75/97/23/1123759723.db2.gz JIIDDQAZLCOSDZ-XPTSAGLGSA-N 0 1 284.762 3.787 20 0 CHADMN Cc1cncc([C@@H](C)N[C@@H]2CCOc3c(F)cccc32)c1 ZINC000336348472 1123763954 /nfs/dbraw/zinc/76/39/54/1123763954.db2.gz HFMIUTZQDLBBRU-MLGOLLRUSA-N 0 1 286.350 3.704 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C)c(Cl)c1 ZINC000336384720 1123767785 /nfs/dbraw/zinc/76/77/85/1123767785.db2.gz YCNUJBMJHCXAPL-UHFFFAOYSA-N 0 1 299.708 3.870 20 0 CHADMN Cc1noc(C)c1CN[C@H]1CCc2cc(C)cc(C)c21 ZINC000655700897 1123769318 /nfs/dbraw/zinc/76/93/18/1123769318.db2.gz QIGFVJWNTLOLAL-INIZCTEOSA-N 0 1 270.376 3.685 20 0 CHADMN Cc1cc(C)c([C@@H](C)[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)c(C)c1 ZINC000086782848 1123773822 /nfs/dbraw/zinc/77/38/22/1123773822.db2.gz KQAFVGULRHTTEJ-CRAIPNDOSA-N 0 1 289.419 3.860 20 0 CHADMN CCCC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000029871482 1123774727 /nfs/dbraw/zinc/77/47/27/1123774727.db2.gz DKHGRXGXHGABGU-UHFFFAOYSA-N 0 1 259.353 3.599 20 0 CHADMN Fc1ccc([C@@H]2C[N@@H+](CCCc3ccccc3)CCO2)cc1 ZINC000058666387 1123784345 /nfs/dbraw/zinc/78/43/45/1123784345.db2.gz OAQYSSWMGGBVNX-IBGZPJMESA-N 0 1 299.389 3.832 20 0 CHADMN Fc1ccc([C@@H]2CN(CCCc3ccccc3)CCO2)cc1 ZINC000058666387 1123784349 /nfs/dbraw/zinc/78/43/49/1123784349.db2.gz OAQYSSWMGGBVNX-IBGZPJMESA-N 0 1 299.389 3.832 20 0 CHADMN CCC[C@@H](C(=O)NOC1CCC1)c1cccc(Cl)c1 ZINC000861881418 1123786442 /nfs/dbraw/zinc/78/64/42/1123786442.db2.gz VPTUOXCVMLNSHW-CQSZACIVSA-N 0 1 281.783 3.824 20 0 CHADMN Cc1c(CN2CCC(OCCC(C)C)CC2)ccnc1F ZINC000862229197 1123794326 /nfs/dbraw/zinc/79/43/26/1123794326.db2.gz RRRIVOKGTHTKLU-UHFFFAOYSA-N 0 1 294.414 3.556 20 0 CHADMN CN(Cc1nc2ccccc2n1C)[C@H]1C=CCCCCC1 ZINC000670991349 1123798322 /nfs/dbraw/zinc/79/83/22/1123798322.db2.gz REVYTNAQUNKORS-HNNXBMFYSA-N 0 1 283.419 3.894 20 0 CHADMN COc1cc(OC)cc(-c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000043257989 1123798764 /nfs/dbraw/zinc/79/87/64/1123798764.db2.gz HEGTXMJNJVGDNG-UHFFFAOYSA-N 0 1 288.734 3.901 20 0 CHADMN Cc1c(F)nccc1CNCc1ccc(C(F)F)cc1 ZINC000862325916 1123799999 /nfs/dbraw/zinc/79/99/99/1123799999.db2.gz IBHBLYWOGGMRAU-UHFFFAOYSA-N 0 1 280.293 3.757 20 0 CHADMN C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCc1ccccc1 ZINC000532519402 1123800403 /nfs/dbraw/zinc/80/04/03/1123800403.db2.gz OYIUCCBHTWXAQJ-APWZRJJASA-N 0 1 281.399 3.691 20 0 CHADMN CC(C)C[C@@H](N[C@@H](C)c1ccncn1)c1ccccc1 ZINC000396015507 1123813947 /nfs/dbraw/zinc/81/39/47/1123813947.db2.gz JPHHYUUPDPPOSN-WMLDXEAASA-N 0 1 269.392 3.915 20 0 CHADMN C[C@@H](NC[C@@H](O)C1CCCCC1)c1c(F)cccc1F ZINC000475310441 1123839176 /nfs/dbraw/zinc/83/91/76/1123839176.db2.gz DJELLASJWZIADN-IAQYHMDHSA-N 0 1 283.362 3.557 20 0 CHADMN CCCC[N@@H+](CC)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000248177330 1123849690 /nfs/dbraw/zinc/84/96/90/1123849690.db2.gz ZQJXAJQBIFAERN-INIZCTEOSA-N 0 1 290.451 3.603 20 0 CHADMN CCCCCC[C@H](C)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227709819 1123857819 /nfs/dbraw/zinc/85/78/19/1123857819.db2.gz GWIAHVOJKPNUSK-WDEREUQCSA-N 0 1 280.368 3.511 20 0 CHADMN CCCn1c(C)nnc1CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000158663760 1129150082 /nfs/dbraw/zinc/15/00/82/1129150082.db2.gz PJFXDWGIGRDHLV-OAHLLOKOSA-N 0 1 292.471 3.645 20 0 CHADMN C/C=C/C[C@@H]1CCCN(Cn2cc(C)cnc2=S)C1 ZINC000863341599 1123862209 /nfs/dbraw/zinc/86/22/09/1123862209.db2.gz SWMDFPOSUVDFOC-RDFMZFSFSA-N 0 1 277.437 3.557 20 0 CHADMN CCC(C)(C)c1ccc(CN[C@@H](C)c2ccnn2C)cc1 ZINC000193043271 1123870085 /nfs/dbraw/zinc/87/00/85/1123870085.db2.gz POGZGMKIKHJCAT-AWEZNQCLSA-N 0 1 285.435 3.959 20 0 CHADMN CSc1ccc(/C=C/c2nc([C@H](N)C(C)C)no2)s1 ZINC000863657606 1123884595 /nfs/dbraw/zinc/88/45/95/1123884595.db2.gz VSOOQNFAAVUNDE-FVOPLDGLSA-N 0 1 295.433 3.679 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H]2CC[C@@H]2c2ccc(F)cc2)n1 ZINC000863658155 1123884695 /nfs/dbraw/zinc/88/46/95/1123884695.db2.gz ZBFHAJYWBYTCMM-MCIONIFRSA-N 0 1 289.354 3.526 20 0 CHADMN Cc1ccc([C@@H](O)CNc2ccnc3cc(F)ccc32)cc1 ZINC000301266079 1123885350 /nfs/dbraw/zinc/88/53/50/1123885350.db2.gz MHRUUSUTEYYIRJ-SFHVURJKSA-N 0 1 296.345 3.828 20 0 CHADMN CSc1ccc(/C=C\c2nc([C@@H](N)C(C)C)no2)s1 ZINC000863657807 1123885497 /nfs/dbraw/zinc/88/54/97/1123885497.db2.gz VSOOQNFAAVUNDE-RNZFLTOJSA-N 0 1 295.433 3.679 20 0 CHADMN CCN[C@H](C)c1nc(-c2ccc(C(C)(F)F)cc2)no1 ZINC000863675610 1123887706 /nfs/dbraw/zinc/88/77/06/1123887706.db2.gz WKJZGAYJMOUBEM-SECBINFHSA-N 0 1 281.306 3.519 20 0 CHADMN CCN[C@@H](C)c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC000863670727 1123887979 /nfs/dbraw/zinc/88/79/79/1123887979.db2.gz RVJFCNIYFQZYAN-ZETCQYMHSA-N 0 1 286.162 3.714 20 0 CHADMN Fc1cccc2c1CCC[C@H]2NCc1ccncc1F ZINC000335364390 1123889265 /nfs/dbraw/zinc/88/92/65/1123889265.db2.gz WUCVQRZDBWZHKI-MRXNPFEDSA-N 0 1 274.314 3.527 20 0 CHADMN C[C@H]1CN(c2ccnc3cc(F)ccc32)C[C@H](C)S1 ZINC000301450357 1123901235 /nfs/dbraw/zinc/90/12/35/1123901235.db2.gz FQRZAVFXODPELL-QWRGUYRKSA-N 0 1 276.380 3.704 20 0 CHADMN Cc1cc(CN2CCSC[C@H]2c2ccccc2)ccn1 ZINC000621257938 1129152633 /nfs/dbraw/zinc/15/26/33/1129152633.db2.gz QXOOTZRRHQLVFS-KRWDZBQOSA-N 0 1 284.428 3.680 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cc(C(F)F)ccc2F)n1 ZINC000621246099 1129152671 /nfs/dbraw/zinc/15/26/71/1129152671.db2.gz LJCQNQSNFDMUKY-NSHDSACASA-N 0 1 299.296 3.859 20 0 CHADMN Cc1ccc(OCCN(C)Cc2cncc(Cl)c2)cc1 ZINC000621245137 1129152872 /nfs/dbraw/zinc/15/28/72/1129152872.db2.gz QDCXLCNZQYJROK-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN COc1cncc(CN2CC([C@@H]3CCC[C@H](C)C3)C2)c1C ZINC000864055044 1123914178 /nfs/dbraw/zinc/91/41/78/1123914178.db2.gz HAIRPEPZUKDNFB-DZGCQCFKSA-N 0 1 288.435 3.657 20 0 CHADMN Fc1ccc2c(c1)nccc2N1C[C@@H]2CCC[C@@H]2C1 ZINC000301589216 1123915692 /nfs/dbraw/zinc/91/56/92/1123915692.db2.gz CHZGNJUNFGWSMR-TXEJJXNPSA-N 0 1 256.324 3.610 20 0 CHADMN C[C@]1(CCNc2ccncc2C(F)(F)F)C[C@@]1(F)Cl ZINC000864091809 1123916830 /nfs/dbraw/zinc/91/68/30/1123916830.db2.gz RGZFNIJYPREKOG-QWRGUYRKSA-N 0 1 296.695 3.639 20 0 CHADMN Cc1cc(CNCc2cccc(OCC(F)F)c2)c(C)o1 ZINC000119944683 1123919034 /nfs/dbraw/zinc/91/90/34/1123919034.db2.gz KZJTVHMVBFYTCU-UHFFFAOYSA-N 0 1 295.329 3.830 20 0 CHADMN Cc1ccnc(NCCc2coc(-c3ccc(F)cc3)n2)c1 ZINC000301652702 1123921401 /nfs/dbraw/zinc/92/14/01/1123921401.db2.gz QRGVICKTWKGEBP-UHFFFAOYSA-N 0 1 297.333 3.839 20 0 CHADMN C[C@@H]1CC([NH2+]Cc2ccc([O-])c(Cl)c2)C[C@@H](C)C1 ZINC000084461611 1129153450 /nfs/dbraw/zinc/15/34/50/1129153450.db2.gz MBDIACSBWBQBJD-QWRGUYRKSA-N 0 1 267.800 3.960 20 0 CHADMN Cc1ccc([C@H]2CSCCN2Cc2ccnc(C)c2)cc1 ZINC000621258266 1129155671 /nfs/dbraw/zinc/15/56/71/1129155671.db2.gz DMFBIVFLFQPPCY-GOSISDBHSA-N 0 1 298.455 3.989 20 0 CHADMN CCCO[C@H]1CCCN(Cc2cncc(Cl)c2)CC1 ZINC000621257471 1129155950 /nfs/dbraw/zinc/15/59/50/1129155950.db2.gz YUGVHNIMBIZPGQ-HNNXBMFYSA-N 0 1 282.815 3.516 20 0 CHADMN CCC[C@H](NCc1cccnc1F)c1ccsc1 ZINC000794828748 1123962515 /nfs/dbraw/zinc/96/25/15/1123962515.db2.gz NVXHVFIZKIHCOA-ZDUSSCGKSA-N 0 1 264.369 3.913 20 0 CHADMN Cc1cccc(NC[C@H](C)c2ccc(F)cc2F)n1 ZINC000302229634 1123963716 /nfs/dbraw/zinc/96/37/16/1123963716.db2.gz BDFKHWZVRMFGBX-JTQLQIEISA-N 0 1 262.303 3.884 20 0 CHADMN CC[C@@H](NCc1cccnc1F)c1cccc(F)c1 ZINC000794832800 1123967203 /nfs/dbraw/zinc/96/72/03/1123967203.db2.gz DKFQFXZATNAPOW-CQSZACIVSA-N 0 1 262.303 3.601 20 0 CHADMN Fc1ncccc1CN[C@@H]1CCc2ccc(Cl)cc21 ZINC000794836052 1123970491 /nfs/dbraw/zinc/97/04/91/1123970491.db2.gz NDQJKWPDKPHMOK-CQSZACIVSA-N 0 1 276.742 3.651 20 0 CHADMN Cc1cc([C@H](NCc2cccnc2F)C2CC2)ccc1F ZINC000794834585 1123970531 /nfs/dbraw/zinc/97/05/31/1123970531.db2.gz OAZSOUVGPIOGGG-MRXNPFEDSA-N 0 1 288.341 3.909 20 0 CHADMN Cc1ccnc(NCc2cc3c(cc[nH]c3=O)o2)c1C1CC1 ZINC000865293171 1123970702 /nfs/dbraw/zinc/97/07/02/1123970702.db2.gz CFFQOCBUFRJRHT-UHFFFAOYSA-N 0 1 295.342 3.726 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@@H]2NCc1cccnc1F ZINC000794836534 1123971573 /nfs/dbraw/zinc/97/15/73/1123971573.db2.gz QQTXWVVACMPLJG-DOMZBBRYSA-N 0 1 270.351 3.867 20 0 CHADMN Cc1ccc(CSc2nc(C(C)(C)C)n[nH]2)nc1Cl ZINC000865350277 1123973112 /nfs/dbraw/zinc/97/31/12/1123973112.db2.gz KNWIVRCTXGSKKB-UHFFFAOYSA-N 0 1 296.827 3.751 20 0 CHADMN CC(C)COCSc1nc(CCC2CCCC2)n[nH]1 ZINC000865351134 1123973231 /nfs/dbraw/zinc/97/32/31/1123973231.db2.gz XHCSEQSCIKKMAZ-UHFFFAOYSA-N 0 1 283.441 3.650 20 0 CHADMN CC(C)COCSc1n[nH]c(CCC2CCCC2)n1 ZINC000865351134 1123973235 /nfs/dbraw/zinc/97/32/35/1123973235.db2.gz XHCSEQSCIKKMAZ-UHFFFAOYSA-N 0 1 283.441 3.650 20 0 CHADMN CC(C)(C)Oc1cccc(CNCc2ccco2)c1 ZINC000865400896 1123980472 /nfs/dbraw/zinc/98/04/72/1123980472.db2.gz BYUKYSOBQNJPSZ-UHFFFAOYSA-N 0 1 259.349 3.747 20 0 CHADMN Cc1ccc(CNCc2ccc(C(F)F)nc2)cc1F ZINC000865404087 1123980758 /nfs/dbraw/zinc/98/07/58/1123980758.db2.gz AQUIHEOVTSEHTG-UHFFFAOYSA-N 0 1 280.293 3.757 20 0 CHADMN COc1ccccc1CN(C)Cc1cccc(C)c1 ZINC000302741949 1123981195 /nfs/dbraw/zinc/98/11/95/1123981195.db2.gz LTPZVCLQTDUUSH-UHFFFAOYSA-N 0 1 255.361 3.636 20 0 CHADMN CC(C)(C)Oc1cccc(CNCc2cccc(O)c2)c1 ZINC000865441619 1123984248 /nfs/dbraw/zinc/98/42/48/1123984248.db2.gz WONDMWKOZLABDQ-UHFFFAOYSA-N 0 1 285.387 3.859 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2NCc1cnc(Cl)c(F)c1 ZINC000865434277 1123984263 /nfs/dbraw/zinc/98/42/63/1123984263.db2.gz CYAAPFRPGHLFPP-CQSZACIVSA-N 0 1 294.732 3.790 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cncc(Cl)c1 ZINC000621273036 1129158933 /nfs/dbraw/zinc/15/89/33/1129158933.db2.gz KTNDIVDHHIYQSI-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cnc(Cl)c(F)c1)CC2 ZINC000865454517 1123986467 /nfs/dbraw/zinc/98/64/67/1123986467.db2.gz ASXMWXLZPUPBNI-OAHLLOKOSA-N 0 1 290.769 3.960 20 0 CHADMN Cc1c(Cl)cccc1CN[C@H](CO)c1cccc(F)c1 ZINC000865467708 1123987315 /nfs/dbraw/zinc/98/73/15/1123987315.db2.gz NZFAECSCRUOPMU-MRXNPFEDSA-N 0 1 293.769 3.611 20 0 CHADMN COc1cccc([C@@H](C)NCc2cncc(Cl)c2)c1 ZINC000621273233 1129159069 /nfs/dbraw/zinc/15/90/69/1129159069.db2.gz RGIZYQFSLGVVQS-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN COc1ccc([C@@H](C)NCc2cncc(Cl)c2)cc1F ZINC000621272907 1129159336 /nfs/dbraw/zinc/15/93/36/1129159336.db2.gz GDSISZHKUZCEPC-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN Cc1cc(C)c(/C=C/CN[C@H]2CCn3ccnc32)cc1C ZINC000865582416 1123997004 /nfs/dbraw/zinc/99/70/04/1123997004.db2.gz IZCQDUZJJPAIHW-BDUNBXCCSA-N 0 1 281.403 3.556 20 0 CHADMN CCn1cc([C@@H](C)NCc2cccc(Cl)c2C)cn1 ZINC000865594426 1123998507 /nfs/dbraw/zinc/99/85/07/1123998507.db2.gz PWKCUWWTRKZRFS-GFCCVEGCSA-N 0 1 277.799 3.716 20 0 CHADMN Cc1ccnc(CNC2(C3(C)CC3)CC2)c1Br ZINC000865594411 1123998521 /nfs/dbraw/zinc/99/85/21/1123998521.db2.gz PPPCXWYMBPOZHR-UHFFFAOYSA-N 0 1 295.224 3.575 20 0 CHADMN Cc1ccc(C2(NCc3cn(C4CC4)cn3)CCC2)cc1 ZINC000865614300 1123999380 /nfs/dbraw/zinc/99/93/80/1123999380.db2.gz CYXVWFFGVGAWCR-UHFFFAOYSA-N 0 1 281.403 3.695 20 0 CHADMN C[C@H]1CC[C@]2(CCN(Cc3cncc(Cl)c3)C2)C1 ZINC000621276316 1129159959 /nfs/dbraw/zinc/15/99/59/1129159959.db2.gz AWMMQVGWJLOZHB-WFASDCNBSA-N 0 1 264.800 3.747 20 0 CHADMN CC(C)(C)c1csc(CNC[C@@H]2C(C)(C)C2(F)F)n1 ZINC000865630665 1124000688 /nfs/dbraw/zinc/00/06/88/1124000688.db2.gz FUIXOQUHVAQMDP-SECBINFHSA-N 0 1 288.407 3.822 20 0 CHADMN CCC[C@@H](CNCc1c(Cl)cncc1Cl)OCC ZINC000865639114 1124002288 /nfs/dbraw/zinc/00/22/88/1124002288.db2.gz NXDUNLVFRQFLIK-JTQLQIEISA-N 0 1 291.222 3.683 20 0 CHADMN Fc1ccc(CNc2nccn2C2CC2)c2ncccc12 ZINC000840886967 1124002440 /nfs/dbraw/zinc/00/24/40/1124002440.db2.gz PHORBJYCVHYOKT-UHFFFAOYSA-N 0 1 282.322 3.517 20 0 CHADMN c1snnc1CN[C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000865678033 1124003864 /nfs/dbraw/zinc/00/38/64/1124003864.db2.gz SUXMTHQVTSPUMV-HUUCEWRRSA-N 0 1 287.432 3.744 20 0 CHADMN CC(C)(C)c1nc(CNC(C)(C)[C@@H]2CCCCO2)cs1 ZINC000865744746 1124010131 /nfs/dbraw/zinc/01/01/31/1124010131.db2.gz BITUBOWEFOUAAQ-ZDUSSCGKSA-N 0 1 296.480 3.878 20 0 CHADMN CC(C)(C)c1ccc(CNCc2ccc3[nH]cnc3c2)o1 ZINC000865814896 1124015882 /nfs/dbraw/zinc/01/58/82/1124015882.db2.gz QHNIOWLVIOMMGJ-UHFFFAOYSA-N 0 1 283.375 3.743 20 0 CHADMN CC(C)(C)c1ccc(CNCc2ccc3nc[nH]c3c2)o1 ZINC000865814896 1124015887 /nfs/dbraw/zinc/01/58/87/1124015887.db2.gz QHNIOWLVIOMMGJ-UHFFFAOYSA-N 0 1 283.375 3.743 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cnc2c(C)cccn12 ZINC000865821029 1124017891 /nfs/dbraw/zinc/01/78/91/1124017891.db2.gz LSHRXYRXIBYILR-CQSZACIVSA-N 0 1 295.386 3.502 20 0 CHADMN Cc1cc2cc(CN[C@@H](C)c3ccnn3C)oc2cc1C ZINC000865839647 1124020345 /nfs/dbraw/zinc/02/03/45/1124020345.db2.gz ZEGIAEAMCRPCRZ-ZDUSSCGKSA-N 0 1 283.375 3.634 20 0 CHADMN c1sc(C2CC2)nc1CNC1([C@@H]2CCCCO2)CCC1 ZINC000865857844 1124022484 /nfs/dbraw/zinc/02/24/84/1124022484.db2.gz XXGXSKMPAATOBZ-AWEZNQCLSA-N 0 1 292.448 3.602 20 0 CHADMN C[C@H](c1nc(CCc2ccccc2)no1)N1[C@H](C)CC[C@@H]1C ZINC000248917446 1124027732 /nfs/dbraw/zinc/02/77/32/1124027732.db2.gz KBUARMJOZWUVJX-QLFBSQMISA-N 0 1 299.418 3.789 20 0 CHADMN COc1ccc(CC[C@@H](C)N[C@H](C)C(C)(F)F)cc1 ZINC000389461638 1124029161 /nfs/dbraw/zinc/02/91/61/1124029161.db2.gz DJTHNYXPYHSGQR-VXGBXAGGSA-N 0 1 271.351 3.650 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cc2[nH]ccc2cc1C ZINC000444448489 1124032216 /nfs/dbraw/zinc/03/22/16/1124032216.db2.gz KBJUDYIMOJCYST-UHFFFAOYSA-N 0 1 296.374 3.884 20 0 CHADMN Cc1cccc(CN[C@@H]2c3cc(F)ccc3CC[C@H]2C)n1 ZINC000866237584 1124039213 /nfs/dbraw/zinc/03/92/13/1124039213.db2.gz FCOKNOOLYCDNSF-XIKOKIGWSA-N 0 1 284.378 3.942 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1NCc1ccncc1F ZINC000336222326 1124043645 /nfs/dbraw/zinc/04/36/45/1124043645.db2.gz WLSLTVHVFSUPQN-SJKOYZFVSA-N 0 1 270.351 3.634 20 0 CHADMN CCc1cc(CN[C@@H]2c3cc(F)ccc3CC[C@H]2C)on1 ZINC000866271470 1124045861 /nfs/dbraw/zinc/04/58/61/1124045861.db2.gz LTOZKUQULGGOOI-DIFFPNOSSA-N 0 1 288.366 3.789 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1nncn1-c1ccccc1)C1CC1 ZINC000444607726 1124046012 /nfs/dbraw/zinc/04/60/12/1124046012.db2.gz JHGVJQDHFPLOOB-CABCVRRESA-N 0 1 298.434 3.666 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2nncn2-c2ccccc2)CC1 ZINC000444636479 1124046249 /nfs/dbraw/zinc/04/62/49/1124046249.db2.gz DKJOOCVEDQQZBB-INIZCTEOSA-N 0 1 298.434 3.525 20 0 CHADMN CCc1ccc([C@@H](NCc2nccnc2C)C(C)C)cc1 ZINC000621326284 1129162866 /nfs/dbraw/zinc/16/28/66/1129162866.db2.gz DFFOALAAJWMMCI-SFHVURJKSA-N 0 1 283.419 3.834 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc2c(ccnc2Cl)o1)c1cn[nH]c1 ZINC000866310052 1124050130 /nfs/dbraw/zinc/05/01/30/1124050130.db2.gz CKGFYBBGVVWUGU-BDAKNGLRSA-N 0 1 290.754 3.616 20 0 CHADMN OCC[C@@H]1CCCN1Cc1nc(C2CCCCC2)cs1 ZINC000444686001 1124051037 /nfs/dbraw/zinc/05/10/37/1124051037.db2.gz BQMKUHFQSHUMKP-AWEZNQCLSA-N 0 1 294.464 3.538 20 0 CHADMN Cc1nccnc1CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000621326289 1129163196 /nfs/dbraw/zinc/16/31/96/1129163196.db2.gz DHPPLRFUCRFIBH-MRXNPFEDSA-N 0 1 287.794 3.679 20 0 CHADMN CCCc1nc(C)c(CN2CCC[C@@H]2c2cccn2C)o1 ZINC000428375475 1124056391 /nfs/dbraw/zinc/05/63/91/1124056391.db2.gz CQZVMFYLHVLVMH-OAHLLOKOSA-N 0 1 287.407 3.611 20 0 CHADMN CCc1nc(C)c(CN[C@H]2CCCc3c(F)cccc32)o1 ZINC000866365287 1124058283 /nfs/dbraw/zinc/05/82/83/1124058283.db2.gz UUSVKFDGBZIWCK-HNNXBMFYSA-N 0 1 288.366 3.852 20 0 CHADMN C[C@@H]1C[C@H](N[C@H]2c3cc(F)ccc3CC[C@H]2C)c2nccn21 ZINC000866367766 1124058446 /nfs/dbraw/zinc/05/84/46/1124058446.db2.gz OPXIHFKFIYHNBX-YQPCPPDFSA-N 0 1 299.393 3.941 20 0 CHADMN Cc1cc(CN[C@H](c2ccccn2)C(C)C)cc(C)n1 ZINC000866376362 1124059106 /nfs/dbraw/zinc/05/91/06/1124059106.db2.gz NCECXZNHSSCXHE-KRWDZBQOSA-N 0 1 269.392 3.580 20 0 CHADMN CC(C)[C@H](N[C@H]1COCc2ccccc21)c1ccccn1 ZINC000866375618 1124059549 /nfs/dbraw/zinc/05/95/49/1124059549.db2.gz DMZABFZGCZKWTG-ROUUACIJSA-N 0 1 282.387 3.640 20 0 CHADMN CCc1nc(CN[C@@H](C)CCc2c[nH]c3ccccc23)co1 ZINC000866370765 1124059608 /nfs/dbraw/zinc/05/96/08/1124059608.db2.gz CNZAAHLNKORBAY-ZDUSSCGKSA-N 0 1 297.402 3.829 20 0 CHADMN CCC[C@]1(CO)CCCN1Cc1nc(C(C)(C)C)cs1 ZINC000444765776 1124061301 /nfs/dbraw/zinc/06/13/01/1124061301.db2.gz JXTLANMPCJTFSQ-MRXNPFEDSA-N 0 1 296.480 3.568 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000444771810 1124062542 /nfs/dbraw/zinc/06/25/42/1124062542.db2.gz KQVNMAHHGUORAS-OAHLLOKOSA-N 0 1 275.440 3.866 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CCCC12CCC2 ZINC000444776726 1124064392 /nfs/dbraw/zinc/06/43/92/1124064392.db2.gz CTXWUSHTKFIWPW-UHFFFAOYSA-N 0 1 287.382 3.714 20 0 CHADMN C[C@H](NCC(C)(C)F)c1cc2c(ccnc2Cl)o1 ZINC000866409601 1124064635 /nfs/dbraw/zinc/06/46/35/1124064635.db2.gz OMWCQPKMWKOXFD-QMMMGPOBSA-N 0 1 270.735 3.880 20 0 CHADMN COCCOCCN1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444792485 1124065597 /nfs/dbraw/zinc/06/55/97/1124065597.db2.gz NMOBWNFKVOPLSX-INIZCTEOSA-N 0 1 297.826 3.530 20 0 CHADMN CSCCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000195548973 1124066686 /nfs/dbraw/zinc/06/66/86/1124066686.db2.gz KFIDKKUZLIMLBQ-SMDDNHRTSA-N 0 1 265.422 3.730 20 0 CHADMN Cc1cc(CN(Cc2ccc(F)cc2)C(C)(C)C)ncn1 ZINC000428382715 1124068737 /nfs/dbraw/zinc/06/87/37/1124068737.db2.gz PYVRIUIPPNJNJR-UHFFFAOYSA-N 0 1 287.382 3.725 20 0 CHADMN CC(C)[C@H](NCc1ccnc(F)c1)c1cc(F)ccc1F ZINC000866475436 1124070256 /nfs/dbraw/zinc/07/02/56/1124070256.db2.gz YXJQMGXBPBOJLZ-INIZCTEOSA-N 0 1 294.320 3.986 20 0 CHADMN C[C@H](N[C@H](CO)c1c(Cl)cccc1Cl)C1CCC1 ZINC000475622163 1124074855 /nfs/dbraw/zinc/07/48/55/1124074855.db2.gz GAXOYXDKIZIKBZ-TVQRCGJNSA-N 0 1 288.218 3.805 20 0 CHADMN CC(F)(F)C(C)(C)CN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000866544367 1124081393 /nfs/dbraw/zinc/08/13/93/1124081393.db2.gz PLMDBKJWTPWJPI-CYBMUJFWSA-N 0 1 293.361 3.770 20 0 CHADMN CC(C)CCN[C@H](CO)c1c(Cl)cccc1Cl ZINC000475627578 1124081603 /nfs/dbraw/zinc/08/16/03/1124081603.db2.gz PUVJRHQDSVBKDA-GFCCVEGCSA-N 0 1 276.207 3.663 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccnn1C)c1cc(C)ccc1OC ZINC000866614620 1124089079 /nfs/dbraw/zinc/08/90/79/1124089079.db2.gz OLRJXMFXMSWRCD-ZFWWWQNUSA-N 0 1 287.407 3.539 20 0 CHADMN C[C@@H](N[C@H]1C[C@H](C)Sc2sccc21)c1ccnn1C ZINC000866614102 1124089389 /nfs/dbraw/zinc/08/93/89/1124089389.db2.gz XZUUMUWTMLZOGW-UMNHJUIQSA-N 0 1 293.461 3.758 20 0 CHADMN Cc1nccnc1CN[C@H](CC1CCC1)c1ccccc1 ZINC000621343656 1129165759 /nfs/dbraw/zinc/16/57/59/1129165759.db2.gz MKWXGCVEBINODE-QGZVFWFLSA-N 0 1 281.403 3.806 20 0 CHADMN CC[C@@H](NCc1cc(C)co1)c1ccc(OC)cc1 ZINC000718070967 1129165774 /nfs/dbraw/zinc/16/57/74/1129165774.db2.gz TWJVUBPKFDLYEQ-MRXNPFEDSA-N 0 1 259.349 3.838 20 0 CHADMN CCSCCCc1noc(-c2ccc(O)c(Cl)c2)n1 ZINC000445764628 1124099494 /nfs/dbraw/zinc/09/94/94/1124099494.db2.gz IRKHVBGHEFCHTG-UHFFFAOYSA-N 0 1 298.795 3.781 20 0 CHADMN CC(C)(CNCc1ccon1)c1cccc(Cl)c1F ZINC000634975811 1129168438 /nfs/dbraw/zinc/16/84/38/1129168438.db2.gz IDGIEOFVIGYWLG-UHFFFAOYSA-N 0 1 282.746 3.535 20 0 CHADMN CCCC[C@H](CC)CN1CCOC[C@@H]1c1cccn1C ZINC000445790570 1124100538 /nfs/dbraw/zinc/10/05/38/1124100538.db2.gz NGAPBBAWHQOPSR-DOTOQJQBSA-N 0 1 278.440 3.615 20 0 CHADMN Cc1oncc1CN(C)[C@@H](C)c1cc(C)ccc1C ZINC000445799077 1124102756 /nfs/dbraw/zinc/10/27/56/1124102756.db2.gz LUVGFXZFDXLVLU-ZDUSSCGKSA-N 0 1 258.365 3.793 20 0 CHADMN CCc1ccc(CN[C@@H](CCOC)c2ccco2)s1 ZINC000543729383 1124103475 /nfs/dbraw/zinc/10/34/75/1124103475.db2.gz BUPGTNMHOBUIHI-AWEZNQCLSA-N 0 1 279.405 3.771 20 0 CHADMN COC(=O)c1sccc1CN1CCCC2(CCCC2)C1 ZINC000445847812 1124104994 /nfs/dbraw/zinc/10/49/94/1124104994.db2.gz SSZDNPNOMPZXCB-UHFFFAOYSA-N 0 1 293.432 3.691 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNCc2ccc3nccnc3c2)o1 ZINC000634954073 1129166574 /nfs/dbraw/zinc/16/65/74/1129166574.db2.gz SBXVHZXCMMZOGN-IUODEOHRSA-N 0 1 293.370 3.636 20 0 CHADMN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCCCC(C)(C)C1 ZINC000446064187 1124108544 /nfs/dbraw/zinc/10/85/44/1124108544.db2.gz XAGNXAYCYAMJOK-ZDUSSCGKSA-N 0 1 299.418 3.909 20 0 CHADMN CC(=CC(C)(C)C)C(=O)NCc1ccccc1-c1ncc[nH]1 ZINC000909633057 1124110263 /nfs/dbraw/zinc/11/02/63/1124110263.db2.gz LRXXNDSWOQCGMG-ACCUITESSA-N 0 1 297.402 3.685 20 0 CHADMN c1csc(C2(CNCc3ccon3)CCCCC2)c1 ZINC000634962926 1129167300 /nfs/dbraw/zinc/16/73/00/1129167300.db2.gz FTACLAVFCVBXGU-UHFFFAOYSA-N 0 1 276.405 3.728 20 0 CHADMN CCC1(CC)CCN(Cc2nc(-c3cccs3)no2)C1 ZINC000446710119 1124118189 /nfs/dbraw/zinc/11/81/89/1124118189.db2.gz DRKRQRCISGPBNN-UHFFFAOYSA-N 0 1 291.420 3.810 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@H]1COCc2ccccc21 ZINC000428451093 1124120063 /nfs/dbraw/zinc/12/00/63/1124120063.db2.gz YBQJDPAJXYTGPM-MSOLQXFVSA-N 0 1 295.382 3.544 20 0 CHADMN CC(C)c1noc([C@H](C)N2CC[C@](C)(c3ccccc3)C2)n1 ZINC000446738149 1124121665 /nfs/dbraw/zinc/12/16/65/1124121665.db2.gz FMTVADBZFANNSU-KSSFIOAISA-N 0 1 299.418 3.918 20 0 CHADMN Cc1ccccc1[C@@H](N[C@H](C)c1nccnc1C)C1CC1 ZINC000446832571 1124124625 /nfs/dbraw/zinc/12/46/25/1124124625.db2.gz PCIFJUVNOQHOIP-KDOFPFPSSA-N 0 1 281.403 3.895 20 0 CHADMN FC(F)(F)c1cccc(C2(CNCc3ccon3)CC2)c1 ZINC000634959204 1129167551 /nfs/dbraw/zinc/16/75/51/1129167551.db2.gz KPVNPXPZTFCMCE-UHFFFAOYSA-N 0 1 296.292 3.515 20 0 CHADMN Fc1ccc2oc(CN[C@@H]3CCCC(F)(F)C3)nc2c1 ZINC000634969327 1129167833 /nfs/dbraw/zinc/16/78/33/1129167833.db2.gz LKRZAORWYCNEGT-SNVBAGLBSA-N 0 1 284.281 3.634 20 0 CHADMN C[C@H]1CCC[C@H](CSCc2n[nH]c(C3CC3)n2)C1 ZINC000447026943 1124130139 /nfs/dbraw/zinc/13/01/39/1124130139.db2.gz BSSCUDLXLXBCKG-QWRGUYRKSA-N 0 1 265.426 3.742 20 0 CHADMN FC(F)[C@@H](NCCCc1ccncc1)C1CCCCC1 ZINC000621401848 1129173456 /nfs/dbraw/zinc/17/34/56/1129173456.db2.gz LNNXXNYDULNVCC-HNNXBMFYSA-N 0 1 282.378 3.818 20 0 CHADMN O=C(C=C1CCC1)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000087233497 1129177604 /nfs/dbraw/zinc/17/76/04/1129177604.db2.gz OIFHUMAFZDXREK-UHFFFAOYSA-N 0 1 281.359 3.879 20 0 CHADMN CN(CCC1CC1)Cc1cccnc1OCc1ccccc1 ZINC001238777411 1131244713 /nfs/dbraw/zinc/24/47/13/1131244713.db2.gz KQYYJQSWKGKWJT-UHFFFAOYSA-N 0 1 296.414 3.893 20 0 CHADMN Cc1cc(F)cc(CN2CCC[C@@](C)(O)CC2)c1Cl ZINC001238776051 1131245082 /nfs/dbraw/zinc/24/50/82/1131245082.db2.gz DTPGZWVIEBVSSN-OAHLLOKOSA-N 0 1 285.790 3.524 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@@]3(CCCO3)C2)c1Cl ZINC001238777138 1131245344 /nfs/dbraw/zinc/24/53/44/1131245344.db2.gz LQFAAWVAUYWVJN-HNNXBMFYSA-N 0 1 283.774 3.542 20 0 CHADMN Cc1cc(F)cc(CN2CCC(CF)CC2)c1Cl ZINC001238782097 1131246189 /nfs/dbraw/zinc/24/61/89/1131246189.db2.gz SDNCLKWEGFLZKA-UHFFFAOYSA-N 0 1 273.754 3.969 20 0 CHADMN CO[C@@H]1CCCN(Cc2cc(F)cc(C)c2Cl)CC1 ZINC001238780429 1131246934 /nfs/dbraw/zinc/24/69/34/1131246934.db2.gz FSRAZJOQWRJYAX-CQSZACIVSA-N 0 1 285.790 3.788 20 0 CHADMN CCC1(O)CCN(Cc2c(C)cc(F)cc2Cl)CC1 ZINC001238785331 1131248344 /nfs/dbraw/zinc/24/83/44/1131248344.db2.gz PIAYLPYPYYXLBV-UHFFFAOYSA-N 0 1 285.790 3.524 20 0 CHADMN c1ccc(Oc2cc(-c3cccc4[nH]nnc43)ccn2)cc1 ZINC001238848437 1131256039 /nfs/dbraw/zinc/25/60/39/1131256039.db2.gz YIFPTGSMKGYGGR-UHFFFAOYSA-N 0 1 288.310 3.812 20 0 CHADMN COc1cccc2cc(CN[C@H]3CCc4cccnc43)oc21 ZINC001119505768 1131256802 /nfs/dbraw/zinc/25/68/02/1131256802.db2.gz VQELLMPTNMBAQQ-HNNXBMFYSA-N 0 1 294.354 3.614 20 0 CHADMN Cc1cc(CNC(C)(C)c2ccc(C(F)(F)F)cc2)[nH]n1 ZINC001119505752 1131257198 /nfs/dbraw/zinc/25/71/98/1131257198.db2.gz VCNONJZXDOUYHJ-UHFFFAOYSA-N 0 1 297.324 3.762 20 0 CHADMN CC(C)[C@@H]1COCCN1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170934905 1131258352 /nfs/dbraw/zinc/25/83/52/1131258352.db2.gz NYLIHOMHZMDADO-PBHICJAKSA-N 0 1 293.838 3.554 20 0 CHADMN Cc1c(Cl)cc(NC(=O)NC(C)C)c(O)c1Cl ZINC001202527435 1124497078 /nfs/dbraw/zinc/49/70/78/1124497078.db2.gz XCEFRBFATZJHAO-UHFFFAOYSA-N 0 1 277.151 3.537 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1ccc(C2CC2)nc1 ZINC001238857037 1131259185 /nfs/dbraw/zinc/25/91/85/1131259185.db2.gz VZWKYGPTCJYMMJ-UHFFFAOYSA-N 0 1 253.280 3.641 20 0 CHADMN CC(C)c1nc(CN(C)c2cccc(C(C)C)c2)n[nH]1 ZINC000428472322 1124455282 /nfs/dbraw/zinc/45/52/82/1124455282.db2.gz HNNZXUOBBLDJBT-UHFFFAOYSA-N 0 1 272.396 3.688 20 0 CHADMN C[C@@H]1CCCN(Cc2cccc(Cl)c2Cl)[C@H]1CO ZINC000447311256 1124460772 /nfs/dbraw/zinc/46/07/72/1124460772.db2.gz GIRBJWDNYMCELA-MFKMUULPSA-N 0 1 288.218 3.586 20 0 CHADMN C[C@H]1CN(CCSc2ccccc2F)C[C@H](C)S1 ZINC000525785831 1124466711 /nfs/dbraw/zinc/46/67/11/1124466711.db2.gz CDEDKXLJKYCUBG-RYUDHWBXSA-N 0 1 285.453 3.744 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2snnc2C)s1 ZINC001119731551 1131262900 /nfs/dbraw/zinc/26/29/00/1131262900.db2.gz FHBOGBMKPOOHOV-BDAKNGLRSA-N 0 1 267.423 3.628 20 0 CHADMN FC(F)c1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000525996583 1124487949 /nfs/dbraw/zinc/48/79/49/1124487949.db2.gz IEJZDDSPYJQGFI-ZDUSSCGKSA-N 0 1 277.318 3.515 20 0 CHADMN CCCN(Cc1cc[nH]n1)[C@@H](CC)c1ccccc1 ZINC000508602521 1124488393 /nfs/dbraw/zinc/48/83/93/1124488393.db2.gz FHLPBDURFZVUJF-INIZCTEOSA-N 0 1 257.381 3.773 20 0 CHADMN Cc1cc(CN2CCC(F)(c3ccccc3)CC2)c(C)nn1 ZINC001119773371 1131263608 /nfs/dbraw/zinc/26/36/08/1131263608.db2.gz FUWDAXQLRYBANS-UHFFFAOYSA-N 0 1 299.393 3.554 20 0 CHADMN CN(C)Cc1cccc(-c2cc3ccccc3[nH]c2=O)c1F ZINC001238884091 1131264976 /nfs/dbraw/zinc/26/49/76/1131264976.db2.gz LKVQTGJOZWMUKB-UHFFFAOYSA-N 0 1 296.345 3.808 20 0 CHADMN CCN(Cc1cnc(C(F)(F)F)s1)C1CCC1 ZINC000447725540 1124511055 /nfs/dbraw/zinc/51/10/55/1124511055.db2.gz CNSDNNMPWLBUCZ-UHFFFAOYSA-N 0 1 264.316 3.536 20 0 CHADMN COCCN(CCC1CCCCC1)Cc1cncs1 ZINC000447842796 1124537047 /nfs/dbraw/zinc/53/70/47/1124537047.db2.gz DCAZZSHXMSEFQE-UHFFFAOYSA-N 0 1 282.453 3.562 20 0 CHADMN CC1CCC(Oc2cc(CNCC3(F)CC3)ccn2)CC1 ZINC000526983801 1124539386 /nfs/dbraw/zinc/53/93/86/1124539386.db2.gz VGFQRFBIXFFMLU-UHFFFAOYSA-N 0 1 292.398 3.631 20 0 CHADMN C[C@H](C1CC1)N(Cc1ccn(-c2ccccc2F)n1)C1CC1 ZINC000527075036 1124549721 /nfs/dbraw/zinc/54/97/21/1124549721.db2.gz WIGFMDRXJXTFOR-CYBMUJFWSA-N 0 1 299.393 3.774 20 0 CHADMN CC(=O)[C@@H]1CCCCN1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170940987 1131269013 /nfs/dbraw/zinc/26/90/13/1131269013.db2.gz BUGMVCAYCHQBKQ-PBHICJAKSA-N 0 1 291.822 3.641 20 0 CHADMN CCn1cc(C[N@@H+](C)C/C=C\c2ccc(Cl)cc2)cn1 ZINC000527296941 1124567299 /nfs/dbraw/zinc/56/72/99/1124567299.db2.gz HAVNDLWNPHXSSF-PLNGDYQASA-N 0 1 289.810 3.702 20 0 CHADMN CCn1cc(CN(C)C/C=C\c2ccc(Cl)cc2)cn1 ZINC000527296941 1124567307 /nfs/dbraw/zinc/56/73/07/1124567307.db2.gz HAVNDLWNPHXSSF-PLNGDYQASA-N 0 1 289.810 3.702 20 0 CHADMN Cc1ccc(CN(C)Cc2ccnn2-c2ccccc2)cc1 ZINC000448214074 1124569928 /nfs/dbraw/zinc/56/99/28/1124569928.db2.gz RCHCOEXQOIJFPI-UHFFFAOYSA-N 0 1 291.398 3.813 20 0 CHADMN CC(C)[C@@H](C)N(C)Cc1ncc(C(C)(C)C)s1 ZINC000448225685 1124574869 /nfs/dbraw/zinc/57/48/69/1124574869.db2.gz WVNOFFKTOVZFQQ-LLVKDONJSA-N 0 1 254.443 3.917 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)C1=CCCCC1 ZINC000527364433 1124575520 /nfs/dbraw/zinc/57/55/20/1124575520.db2.gz QVTYHUPBXDRCBK-UHFFFAOYSA-N 0 1 269.703 3.624 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CC[C@@H](CC(C)(C)C)C1 ZINC000448555015 1124585266 /nfs/dbraw/zinc/58/52/66/1124585266.db2.gz PFTDUSHNRLKAGU-NEPJUHHUSA-N 0 1 277.412 3.766 20 0 CHADMN Cc1ccoc1CN(C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000795152276 1124589747 /nfs/dbraw/zinc/58/97/47/1124589747.db2.gz QUBOGGKYZGXGAV-CQSZACIVSA-N 0 1 297.757 3.546 20 0 CHADMN C[C@H]1CN(CCCC(F)(F)F)Cc2ccccc2O1 ZINC001120043395 1131271205 /nfs/dbraw/zinc/27/12/05/1131271205.db2.gz KFGYQYHBMHGWGU-NSHDSACASA-N 0 1 273.298 3.612 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@]3(C)CC=CCC3)cc2[nH]1 ZINC000448625463 1124599964 /nfs/dbraw/zinc/59/99/64/1124599964.db2.gz OISVURYTAQKCSI-INIZCTEOSA-N 0 1 269.348 3.556 20 0 CHADMN CC[C@@H](NCc1cc(C)oc1C)c1c(C)noc1C ZINC000123536173 1124605107 /nfs/dbraw/zinc/60/51/07/1124605107.db2.gz TVXZEGSIEOSJGE-CQSZACIVSA-N 0 1 262.353 3.742 20 0 CHADMN CCN(CC)[C@@H](CNC(=O)CCCC(C)C)c1ccco1 ZINC000448807532 1124615415 /nfs/dbraw/zinc/61/54/15/1124615415.db2.gz ATRUTXRRSSTNGL-HNNXBMFYSA-N 0 1 294.439 3.605 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCCN1Cc1ccc(F)cc1Cl ZINC000123703024 1124619476 /nfs/dbraw/zinc/61/94/76/1124619476.db2.gz KHFWCDFGXWWOPO-RISCZKNCSA-N 0 1 285.790 3.605 20 0 CHADMN Fc1cccc(C[C@H]2CCCN2Cc2ccncc2F)c1 ZINC000449014515 1124629929 /nfs/dbraw/zinc/62/99/29/1124629929.db2.gz IKOHGOOIZNVEHT-MRXNPFEDSA-N 0 1 288.341 3.567 20 0 CHADMN CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2ccncc2F)c1 ZINC000449029018 1124634144 /nfs/dbraw/zinc/63/41/44/1124634144.db2.gz NHCMKDNEBFWFIO-GOSISDBHSA-N 0 1 299.393 3.624 20 0 CHADMN CN(C)c1cccc([C@H]2CCCN2Cc2ccncc2F)c1 ZINC000449029018 1124634146 /nfs/dbraw/zinc/63/41/46/1124634146.db2.gz NHCMKDNEBFWFIO-GOSISDBHSA-N 0 1 299.393 3.624 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2cccc(O)c2)cs1 ZINC000449028479 1124635129 /nfs/dbraw/zinc/63/51/29/1124635129.db2.gz ODYCQKFZYHJCNE-GFCCVEGCSA-N 0 1 261.390 3.955 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccncc1F ZINC000449028591 1124635229 /nfs/dbraw/zinc/63/52/29/1124635229.db2.gz LWJSZBKAXHPDJI-BBRMVZONSA-N 0 1 270.351 3.599 20 0 CHADMN CC(C)Oc1ccc([C@H](C)NCc2ccncc2F)cc1 ZINC000449085777 1124644608 /nfs/dbraw/zinc/64/46/08/1124644608.db2.gz ACEUBYYIBZUVJA-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN Clc1cccnc1CN1CCC2(C1)CCCCC2 ZINC000528388732 1124651393 /nfs/dbraw/zinc/65/13/93/1124651393.db2.gz JRGCJRHKSGKYHC-UHFFFAOYSA-N 0 1 264.800 3.891 20 0 CHADMN C[C@@H](NCc1ccc(C(C)(C)C)s1)c1cnccn1 ZINC000871932510 1124653567 /nfs/dbraw/zinc/65/35/67/1124653567.db2.gz XHNXCWUOTJZVDY-LLVKDONJSA-N 0 1 275.421 3.686 20 0 CHADMN C[C@H]1CCc2[nH]n(-c3cccc4ccccc43)c(=O)c21 ZINC000871946764 1124654562 /nfs/dbraw/zinc/65/45/62/1124654562.db2.gz IBCRXQDWGYRZLM-ZBEGNZNMSA-N 0 1 264.328 3.589 20 0 CHADMN CCCCCC[C@@H](C)n1[nH]c(C[C@H]2CCCO2)cc1=O ZINC000871960069 1124655653 /nfs/dbraw/zinc/65/56/53/1124655653.db2.gz ULAJZNDIJRNCIL-UKRRQHHQSA-N 0 1 280.412 3.503 20 0 CHADMN COc1ccc([C@H](C)NC/C=C(\C)Cl)cc1F ZINC000528428832 1124659634 /nfs/dbraw/zinc/65/96/34/1124659634.db2.gz BOEXZJFFGNEMSB-ZKXNXJMVSA-N 0 1 257.736 3.628 20 0 CHADMN CC[C@H](NCc1cccc(C)c1F)c1c(C)nn(C)c1C ZINC000449178771 1124664923 /nfs/dbraw/zinc/66/49/23/1124664923.db2.gz YBICWADUNNVRLX-HNNXBMFYSA-N 0 1 289.398 3.725 20 0 CHADMN Cc1cccc(C)c1CN[C@H](C)c1cccc(O)c1F ZINC000872050135 1124666046 /nfs/dbraw/zinc/66/60/46/1124666046.db2.gz YLYPOEQWYOLTJB-CYBMUJFWSA-N 0 1 273.351 3.999 20 0 CHADMN COc1cc(F)c([C@@H](C)NC/C=C(\C)Cl)cc1OC ZINC000528440407 1124666669 /nfs/dbraw/zinc/66/66/69/1124666669.db2.gz ZTVPLQFATAKBBT-NAZIUFLLSA-N 0 1 287.762 3.636 20 0 CHADMN C[C@@H]1CC[C@@]2(CCN(Cc3ncccc3Cl)C2)C1 ZINC000528439698 1124666815 /nfs/dbraw/zinc/66/68/15/1124666815.db2.gz FTKHIQJROYDISG-IUODEOHRSA-N 0 1 264.800 3.747 20 0 CHADMN COc1cccc(C2(NCc3csc(C)c3)CC2)c1 ZINC000449197133 1124670428 /nfs/dbraw/zinc/67/04/28/1124670428.db2.gz ZYLWCPDDKGEBGV-UHFFFAOYSA-N 0 1 273.401 3.844 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2ncccc2Cl)C1 ZINC000528474559 1124674989 /nfs/dbraw/zinc/67/49/89/1124674989.db2.gz PRJUCZHYGTXGKV-LBPRGKRZSA-N 0 1 252.789 3.603 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1cc(CO)ccc1F ZINC000528476748 1124675513 /nfs/dbraw/zinc/67/55/13/1124675513.db2.gz ODDNWFRNNUQLMD-XNTDXEJSSA-N 0 1 299.389 3.853 20 0 CHADMN C[C@H](N[C@@H]1CCCCc2ccccc2C1)c1csnn1 ZINC000872081183 1124677125 /nfs/dbraw/zinc/67/71/25/1124677125.db2.gz WOHLUFVQQYTHDB-SWLSCSKDSA-N 0 1 287.432 3.526 20 0 CHADMN CCO[C@@H]1C[C@@H](NCc2ncccc2Cl)C12CCCC2 ZINC000528502197 1124677875 /nfs/dbraw/zinc/67/78/75/1124677875.db2.gz GQEVGXNCQRNRAD-HUUCEWRRSA-N 0 1 294.826 3.562 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NC/C=C(/C)Cl ZINC000528520905 1124681452 /nfs/dbraw/zinc/68/14/52/1124681452.db2.gz OWTHURGLRJBVRS-RDQDRAATSA-N 0 1 253.773 3.797 20 0 CHADMN C[C@H](NCc1cc(CO)ccc1F)c1ccc(Cl)cc1 ZINC000528516788 1124681501 /nfs/dbraw/zinc/68/15/01/1124681501.db2.gz BQFYPMJFRFTZFN-NSHDSACASA-N 0 1 293.769 3.822 20 0 CHADMN C/C(Cl)=C\CN1CCC[C@H](CC(F)(F)F)C1 ZINC000528523474 1124683396 /nfs/dbraw/zinc/68/33/96/1124683396.db2.gz AOAPKEXMQISQEU-WXLQGSQKSA-N 0 1 255.711 3.793 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@@H]2C[C@H]3CCC[C@@H]3O2)cs1 ZINC000872110167 1124685846 /nfs/dbraw/zinc/68/58/46/1124685846.db2.gz WGFMWDZZIAIOLH-XFMPKHEZSA-N 0 1 294.464 3.875 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@@H]2C[C@H]3CCC[C@H]3O2)cs1 ZINC000872110165 1124686228 /nfs/dbraw/zinc/68/62/28/1124686228.db2.gz WGFMWDZZIAIOLH-SFDCQRBFSA-N 0 1 294.464 3.875 20 0 CHADMN C[C@H]1CSC[C@H]1Nc1ccc(Cl)c(CN(C)C)c1 ZINC000449302465 1124687097 /nfs/dbraw/zinc/68/70/97/1124687097.db2.gz KAJUZMGZMXJZSN-IINYFYTJSA-N 0 1 284.856 3.565 20 0 CHADMN C[C@H](CCc1ccsc1)NCc1ncc(Cl)s1 ZINC000872115222 1124687416 /nfs/dbraw/zinc/68/74/16/1124687416.db2.gz JONYKAZUEKRDPJ-SECBINFHSA-N 0 1 286.853 3.969 20 0 CHADMN C[C@H]([C@@H]1Cc2ccccc21)N(C)Cc1ncccc1Cl ZINC000528560348 1124689453 /nfs/dbraw/zinc/68/94/53/1124689453.db2.gz IPMHUMJMYPXNDT-DOMZBBRYSA-N 0 1 286.806 3.895 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2nccnc2C)c(C)c1 ZINC000872131100 1124691994 /nfs/dbraw/zinc/69/19/94/1124691994.db2.gz PMVBWZDGXKAFOX-JSGCOSHPSA-N 0 1 285.391 3.514 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nccnc1C)c1ccc2c(c1)CCO2 ZINC000872133819 1124692422 /nfs/dbraw/zinc/69/24/22/1124692422.db2.gz OTJXVEQENOHVSU-XJKSGUPXSA-N 0 1 297.402 3.522 20 0 CHADMN CCC[C@H](N[C@@H](C)c1nccnc1C)c1ccc(OC)cc1 ZINC000872135972 1124693434 /nfs/dbraw/zinc/69/34/34/1124693434.db2.gz ZBUGIFQZHDHPLR-YOEHRIQHSA-N 0 1 299.418 3.986 20 0 CHADMN CC1(C)[C@@H](c2cccc(Cl)c2)CC[N@H+]1CCCC(=O)[O-] ZINC000872168734 1124696569 /nfs/dbraw/zinc/69/65/69/1124696569.db2.gz XPNYBWOJGSFZBA-CQSZACIVSA-N 0 1 295.810 3.773 20 0 CHADMN Cc1ccc(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1C(=O)[O-] ZINC000872159136 1124696904 /nfs/dbraw/zinc/69/69/04/1124696904.db2.gz OKMAZNAKTSZDGR-UKPHBRMFSA-N 0 1 287.403 3.846 20 0 CHADMN C[C@@H](C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1)CC(C)(C)C ZINC000872159480 1124697058 /nfs/dbraw/zinc/69/70/58/1124697058.db2.gz IGDFFHGMXBNLNR-CZUORRHYSA-N 0 1 289.419 3.743 20 0 CHADMN CC1CCC([N@@H+](Cc2cc(C(=O)[O-])cs2)C2CC2)CC1 ZINC000872158086 1124697079 /nfs/dbraw/zinc/69/70/79/1124697079.db2.gz ZNXGOYIDEGPCIL-UHFFFAOYSA-N 0 1 293.432 3.989 20 0 CHADMN CC[C@@H](Cc1cccc(C)c1)c1nc([C@H](N)C(C)C)no1 ZINC000872170224 1124698320 /nfs/dbraw/zinc/69/83/20/1124698320.db2.gz FPFRZPQMCCFWGW-LSDHHAIUSA-N 0 1 287.407 3.770 20 0 CHADMN C[C@@H]1C[C@@H](NC(CF)CF)C[C@@H](c2ccccc2)C1 ZINC000449382486 1124717530 /nfs/dbraw/zinc/71/75/30/1124717530.db2.gz XDWFFSWSBDKIOZ-AEGPPILISA-N 0 1 267.363 3.856 20 0 CHADMN CCC[C@H](CCc1ccccc1)NC(CF)CF ZINC000449381043 1124717809 /nfs/dbraw/zinc/71/78/09/1124717809.db2.gz QHFLYSJBXOFKHZ-CQSZACIVSA-N 0 1 255.352 3.685 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H](c2ccccc2)C1)C(C)(F)F ZINC000449417812 1124723188 /nfs/dbraw/zinc/72/31/88/1124723188.db2.gz ZUOVJHWIXSJFFK-IACUBPJLSA-N 0 1 253.336 3.956 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H](C)C(C)(F)F)CC3 ZINC000449416888 1124726315 /nfs/dbraw/zinc/72/63/15/1124726315.db2.gz VZWGRDLCNWGMSQ-VXGBXAGGSA-N 0 1 292.373 3.967 20 0 CHADMN Cc1cc(CNCc2ccc(C(F)(F)F)s2)ccn1 ZINC000449403258 1124727389 /nfs/dbraw/zinc/72/73/89/1124727389.db2.gz PDNFRTMFOMWTHS-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN Cc1cc2[nH]c(C[N@H+]3CC[C@H]3C3CC3)cc2c(C)c1 ZINC000449425070 1124733431 /nfs/dbraw/zinc/73/34/31/1124733431.db2.gz GOWYLGUANOLPOC-KRWDZBQOSA-N 0 1 254.377 3.769 20 0 CHADMN CS[C@H]1CCN(Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000449444670 1124739760 /nfs/dbraw/zinc/73/97/60/1124739760.db2.gz CCLHJCACGCLCFT-HNNXBMFYSA-N 0 1 288.416 3.587 20 0 CHADMN c1cc(N2CCCC2)oc1CN1CCC[C@H]1c1ccccn1 ZINC001137068154 1124741907 /nfs/dbraw/zinc/74/19/07/1124741907.db2.gz YARWBGLQLNYLEI-KRWDZBQOSA-N 0 1 297.402 3.612 20 0 CHADMN Cn1ncc(CNCc2ccc(C(C)(C)C)s2)c1Cl ZINC000873153978 1124742490 /nfs/dbraw/zinc/74/24/90/1124742490.db2.gz OCFOOJDYLOFANN-UHFFFAOYSA-N 0 1 297.855 3.722 20 0 CHADMN C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1ccc(F)cc1 ZINC000449459752 1124747164 /nfs/dbraw/zinc/74/71/64/1124747164.db2.gz LTTUKSUCBIQHSG-CMPLNLGQSA-N 0 1 275.289 3.989 20 0 CHADMN C/C(=C/c1ccccc1)CN[C@@H](C)c1nccnc1C ZINC000873189033 1124748841 /nfs/dbraw/zinc/74/88/41/1124748841.db2.gz MKPQIQZFYISZRJ-HVCHUGMYSA-N 0 1 267.376 3.539 20 0 CHADMN C[C@H](CCC(C)(C)C)NCc1ncc(C(F)(F)F)cn1 ZINC000449471781 1124751303 /nfs/dbraw/zinc/75/13/03/1124751303.db2.gz NZLSQEYKTMFFTD-SNVBAGLBSA-N 0 1 289.345 3.800 20 0 CHADMN CC1(NCc2cscc2Cl)CC(F)(F)C1 ZINC000873197571 1124751272 /nfs/dbraw/zinc/75/12/72/1124751272.db2.gz HJXZHTNNKHTTGD-UHFFFAOYSA-N 0 1 251.729 3.679 20 0 CHADMN CC[C@H](CC(C)C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000449469872 1124751691 /nfs/dbraw/zinc/75/16/91/1124751691.db2.gz VMPFWTOZLURESE-HIFRSBDPSA-N 0 1 296.480 3.539 20 0 CHADMN CC[C@@](C)(CNCc1csc(-c2cccs2)n1)OC ZINC000449475523 1124752693 /nfs/dbraw/zinc/75/26/93/1124752693.db2.gz LAXPUCROWKAFAZ-AWEZNQCLSA-N 0 1 296.461 3.776 20 0 CHADMN CC[C@](C)(CNCc1csc(-c2ccccc2)n1)OC ZINC000449478597 1124754102 /nfs/dbraw/zinc/75/41/02/1124754102.db2.gz RXRQQXLAMOWJFR-MRXNPFEDSA-N 0 1 290.432 3.715 20 0 CHADMN CCOc1cc(C)c(-c2ccc3nc(C)[nH]c3c2)cn1 ZINC001238976052 1131282098 /nfs/dbraw/zinc/28/20/98/1131282098.db2.gz RPGRVEWPRCTLPT-UHFFFAOYSA-N 0 1 267.332 3.640 20 0 CHADMN CCO[C@@H]1CCN(Cc2cc(Cl)ccc2F)C[C@@H]1C ZINC000449491690 1124768799 /nfs/dbraw/zinc/76/87/99/1124768799.db2.gz ALDSIWSKQGCHNV-XHDPSFHLSA-N 0 1 285.790 3.726 20 0 CHADMN CO[C@H]1CCN(C/C=C\c2ccc(F)cc2F)CC1(C)C ZINC000449495722 1124770908 /nfs/dbraw/zinc/77/09/08/1124770908.db2.gz DVBGRWTZTLCNKN-AWFCHZOYSA-N 0 1 295.373 3.725 20 0 CHADMN CO[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)CC1(C)C ZINC000449500134 1124772542 /nfs/dbraw/zinc/77/25/42/1124772542.db2.gz NHHZQNZOGXDVKS-CQSZACIVSA-N 0 1 285.790 3.726 20 0 CHADMN CCOc1cc(C)c(-c2cc3nc[nH]c3c(C)c2)cn1 ZINC001238976527 1131283267 /nfs/dbraw/zinc/28/32/67/1131283267.db2.gz YYECFIWYMULTTE-UHFFFAOYSA-N 0 1 267.332 3.640 20 0 CHADMN COc1cc(SC)c(-c2cc3[nH]cnc3cc2C)cn1 ZINC001239062000 1131297254 /nfs/dbraw/zinc/29/72/54/1131297254.db2.gz ORYVJOQFRNXWAR-UHFFFAOYSA-N 0 1 285.372 3.664 20 0 CHADMN COc1cc(SC)c(-c2ccc3nc[nH]c3c2C)cn1 ZINC001239060136 1131297469 /nfs/dbraw/zinc/29/74/69/1131297469.db2.gz CSJREGUDJHGUQY-UHFFFAOYSA-N 0 1 285.372 3.664 20 0 CHADMN CCOC(=O)c1cc2ccc(-c3ccn(C(C)C)c3)[nH]c-2n1 ZINC001239067965 1131299682 /nfs/dbraw/zinc/29/96/82/1131299682.db2.gz POFDHJBYMCZFHK-UHFFFAOYSA-N 0 1 297.358 3.789 20 0 CHADMN C[C@H](NCCOc1cccc(Cl)c1)c1ncccc1F ZINC000528825933 1124814805 /nfs/dbraw/zinc/81/48/05/1124814805.db2.gz RFXOONDTEBNALJ-NSHDSACASA-N 0 1 294.757 3.604 20 0 CHADMN CN1CCC[C@@H](NCc2ccccc2F)c2ccccc21 ZINC000449650931 1124829181 /nfs/dbraw/zinc/82/91/81/1124829181.db2.gz MJTZUBPAGKDIOZ-QGZVFWFLSA-N 0 1 284.378 3.887 20 0 CHADMN CC1CC(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)C1 ZINC001168112263 1124840738 /nfs/dbraw/zinc/84/07/38/1124840738.db2.gz IBTDCIZJZSVWGH-CTBQFLBTSA-N 0 1 265.422 3.556 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@H]1CCCC12CC2 ZINC000528909961 1124841969 /nfs/dbraw/zinc/84/19/69/1124841969.db2.gz ZEHYYJCOASTALZ-SECBINFHSA-N 0 1 265.740 3.564 20 0 CHADMN CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1ccc(O)c(F)c1 ZINC001204690209 1124844340 /nfs/dbraw/zinc/84/43/40/1124844340.db2.gz MPUXEHNUSOUWCD-IUODEOHRSA-N 0 1 265.372 3.932 20 0 CHADMN CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1ccc([O-])c(F)c1 ZINC001204690209 1124844347 /nfs/dbraw/zinc/84/43/47/1124844347.db2.gz MPUXEHNUSOUWCD-IUODEOHRSA-N 0 1 265.372 3.932 20 0 CHADMN CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1ccc([O-])c(F)c1 ZINC001204690209 1124844353 /nfs/dbraw/zinc/84/43/53/1124844353.db2.gz MPUXEHNUSOUWCD-IUODEOHRSA-N 0 1 265.372 3.932 20 0 CHADMN CCn1nc(C)c(CN(C)Cc2ccc(C)c(C)c2)c1C ZINC000449762708 1124859034 /nfs/dbraw/zinc/85/90/34/1124859034.db2.gz KPTIUCDDHURKBB-UHFFFAOYSA-N 0 1 285.435 3.769 20 0 CHADMN COC[C@H]1CCCN(Cc2cc(Cl)ccc2F)CC1 ZINC000449780621 1124869703 /nfs/dbraw/zinc/86/97/03/1124869703.db2.gz VXMVZZWNFDDBOY-LBPRGKRZSA-N 0 1 285.790 3.728 20 0 CHADMN COC[C@@H]1CCCN(Cc2ccc(Cl)cc2F)CC1 ZINC000449781419 1124869785 /nfs/dbraw/zinc/86/97/85/1124869785.db2.gz XDPUSMLTELRHEN-GFCCVEGCSA-N 0 1 285.790 3.728 20 0 CHADMN C[C@H](Cc1ccc(O)cc1)N(C)Cc1cnc(Cl)s1 ZINC000125487251 1124896018 /nfs/dbraw/zinc/89/60/18/1124896018.db2.gz PYEMMHADZJMJTB-SNVBAGLBSA-N 0 1 296.823 3.565 20 0 CHADMN CC(=O)[C@@H](N[C@@H]1CCc2cccc(F)c2C1)c1ccccc1 ZINC001170958347 1131317901 /nfs/dbraw/zinc/31/79/01/1131317901.db2.gz VGXFYLJVKMLZGW-VQIMIIECSA-N 0 1 297.373 3.603 20 0 CHADMN Cc1ccc2nc(CNC(=O)[C@@H]3CC[C@H](C)[C@@H](C)C3)[nH]c2c1 ZINC000450011051 1124913971 /nfs/dbraw/zinc/91/39/71/1124913971.db2.gz UICVHPSXMHJYSL-MELADBBJSA-N 0 1 299.418 3.560 20 0 CHADMN Cc1cnccc1CNCc1ccc(F)cc1C(F)(F)F ZINC000228664015 1124938311 /nfs/dbraw/zinc/93/83/11/1124938311.db2.gz GMBKSBLKMWYQGN-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@@H]3C[C@H]3c3ccsc3)[nH]c2c1 ZINC000529416445 1124952152 /nfs/dbraw/zinc/95/21/52/1124952152.db2.gz CVPJZYQUNIUWHS-NWDGAFQWSA-N 0 1 297.383 3.675 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2ccc(Cl)nn2)cc1 ZINC000876571614 1124961641 /nfs/dbraw/zinc/96/16/41/1124961641.db2.gz ARSCNICWANLJQL-GFCCVEGCSA-N 0 1 275.783 3.631 20 0 CHADMN CC(=O)c1ccc(CN(C)Cc2cccc(C)c2)cc1 ZINC000450271676 1124965981 /nfs/dbraw/zinc/96/59/81/1124965981.db2.gz ZRJUPCJCLVZCCN-UHFFFAOYSA-N 0 1 267.372 3.830 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1Cc1ccc(Cl)nn1 ZINC000876756001 1124974810 /nfs/dbraw/zinc/97/48/10/1124974810.db2.gz OTSCHONAFBIOLD-AAEUAGOBSA-N 0 1 267.804 3.531 20 0 CHADMN Cc1cc(C)c(-c2cc(F)c(C(=O)[O-])c(F)c2)c(C)[nH+]1 ZINC001239367123 1131322770 /nfs/dbraw/zinc/32/27/70/1131322770.db2.gz WJPNPWKHGFDMTC-UHFFFAOYSA-N 0 1 277.270 3.650 20 0 CHADMN COCC1CCN(Cc2ccsc2C(F)(F)F)CC1 ZINC000529528677 1124981498 /nfs/dbraw/zinc/98/14/98/1124981498.db2.gz JPWHPXRPSYTURK-UHFFFAOYSA-N 0 1 293.354 3.625 20 0 CHADMN CC[C@H](NCc1cc(OC)cnc1F)c1ccc(C)cc1 ZINC000876891392 1124989142 /nfs/dbraw/zinc/98/91/42/1124989142.db2.gz XGEFNEVGWKUUMX-INIZCTEOSA-N 0 1 288.366 3.779 20 0 CHADMN C[C@H](Cc1ccsc1)NCc1nc(Cl)cs1 ZINC000876959224 1124993544 /nfs/dbraw/zinc/99/35/44/1124993544.db2.gz QHAXLTDIUCZODE-MRVPVSSYSA-N 0 1 272.826 3.579 20 0 CHADMN Clc1cccc2c1OC[C@@H]2NC[C@H]1CC1(Cl)Cl ZINC000877095517 1125010281 /nfs/dbraw/zinc/01/02/81/1125010281.db2.gz QQTSOGMNSSWFHE-XCBNKYQSSA-N 0 1 292.593 3.557 20 0 CHADMN CC[C@@H](NCc1c(F)ccc(F)c1Cl)[C@H](O)C(C)C ZINC000529606000 1125013201 /nfs/dbraw/zinc/01/32/01/1125013201.db2.gz HCFJKYFQIOWDHW-TZMCWYRMSA-N 0 1 291.769 3.503 20 0 CHADMN COCCC1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000529637578 1125024256 /nfs/dbraw/zinc/02/42/56/1125024256.db2.gz FZAFEPFIDUKQHO-UHFFFAOYSA-N 0 1 294.464 3.659 20 0 CHADMN Clc1ccc(CNCc2ccc(C3CCC3)cc2)nn1 ZINC000877475479 1125030885 /nfs/dbraw/zinc/03/08/85/1125030885.db2.gz IOQQUJQOJUGKSU-UHFFFAOYSA-N 0 1 287.794 3.687 20 0 CHADMN CCN(Cc1nc(Cl)cs1)[C@@H]1CCOC(C)(C)C1 ZINC000877540096 1125040471 /nfs/dbraw/zinc/04/04/71/1125040471.db2.gz RXSKAWIAEGTDAA-SNVBAGLBSA-N 0 1 288.844 3.576 20 0 CHADMN CCN(C[C@H]1CC1(Cl)Cl)[C@H](C)c1cccnc1 ZINC000877531747 1125040924 /nfs/dbraw/zinc/04/09/24/1125040924.db2.gz QXXQHSRVEFBXDK-ZYHUDNBSSA-N 0 1 273.207 3.658 20 0 CHADMN Cc1nc(CN(C)C[C@@H](C)C2CCCCC2)[nH]c1C ZINC000529678998 1125044055 /nfs/dbraw/zinc/04/40/55/1125044055.db2.gz ZKYKWQRUGRGBLP-GFCCVEGCSA-N 0 1 263.429 3.675 20 0 CHADMN Cc1c(Cl)cccc1CN1CC(CC(F)F)C1 ZINC000877599367 1125051844 /nfs/dbraw/zinc/05/18/44/1125051844.db2.gz XRJMVFVJPOVWQU-UHFFFAOYSA-N 0 1 259.727 3.735 20 0 CHADMN Clc1ccc(CN2CCCC3(CCCC3)CC2)nn1 ZINC000877623118 1125055335 /nfs/dbraw/zinc/05/53/35/1125055335.db2.gz IWYSOXKUCGFQRF-UHFFFAOYSA-N 0 1 279.815 3.676 20 0 CHADMN CCc1ccc(C)nc1NCc1nc(Cl)cs1 ZINC000877623731 1125055454 /nfs/dbraw/zinc/05/54/54/1125055454.db2.gz YROICKNUZGKRSX-UHFFFAOYSA-N 0 1 267.785 3.674 20 0 CHADMN Clc1nccc2oc(CN3CC(CC4CC4)C3)cc21 ZINC000877646094 1125057224 /nfs/dbraw/zinc/05/72/24/1125057224.db2.gz BJAGQLFKLLFNPX-UHFFFAOYSA-N 0 1 276.767 3.713 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccc(Cl)cc1C(C)C ZINC000529852572 1125082867 /nfs/dbraw/zinc/08/28/67/1125082867.db2.gz PXVINQIGURQECO-UHFFFAOYSA-N 0 1 277.755 3.747 20 0 CHADMN CCC(CC)[C@H](NCc1cnns1)c1cccs1 ZINC000450674120 1125083363 /nfs/dbraw/zinc/08/33/63/1125083363.db2.gz MMTKOTKDKOAYIE-ZDUSSCGKSA-N 0 1 281.450 3.867 20 0 CHADMN COc1ncc(CNCc2ccc(C(C)(C)C)s2)s1 ZINC000877806181 1125083516 /nfs/dbraw/zinc/08/35/16/1125083516.db2.gz VMFPMQIGFDFMEM-UHFFFAOYSA-N 0 1 296.461 3.801 20 0 CHADMN FCC1(CNc2ccnc3cc(F)ccc32)CCOCC1 ZINC000450733597 1125095816 /nfs/dbraw/zinc/09/58/16/1125095816.db2.gz RIAUJIPLZAVUQQ-UHFFFAOYSA-N 0 1 292.329 3.552 20 0 CHADMN CC(C)c1ccc(NC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)cc1 ZINC000877956117 1125105335 /nfs/dbraw/zinc/10/53/35/1125105335.db2.gz VAFYVSHUZVAFRR-SJCJKPOMSA-N 0 1 297.402 3.838 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000878064374 1125116983 /nfs/dbraw/zinc/11/69/83/1125116983.db2.gz RRZUQKXSLZWKKX-SJKOYZFVSA-N 0 1 297.402 3.838 20 0 CHADMN Clc1ncsc1C[N@H+]1CCC2(CCCC2)C1 ZINC000878149304 1125123435 /nfs/dbraw/zinc/12/34/35/1125123435.db2.gz NLMAWULYIIWYNR-UHFFFAOYSA-N 0 1 256.802 3.563 20 0 CHADMN Clc1ncsc1CN1CCC2(CCCC2)C1 ZINC000878149304 1125123436 /nfs/dbraw/zinc/12/34/36/1125123436.db2.gz NLMAWULYIIWYNR-UHFFFAOYSA-N 0 1 256.802 3.563 20 0 CHADMN C[C@@H]1c2ccccc2CN1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878158077 1125126095 /nfs/dbraw/zinc/12/60/95/1125126095.db2.gz SXZUONQTIMJUPP-RMRKRWHISA-N 0 1 257.377 3.521 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])CC1CC(C)(C)C1 ZINC000530167289 1125126676 /nfs/dbraw/zinc/12/66/76/1125126676.db2.gz YKWFDEBRYJXKES-MRXNPFEDSA-N 0 1 289.419 3.961 20 0 CHADMN CC(C)(C)CCC[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530169009 1125127693 /nfs/dbraw/zinc/12/76/93/1125127693.db2.gz PEQRSXDZFWFKSF-UHFFFAOYSA-N 0 1 293.382 3.708 20 0 CHADMN Fc1cccc([C@@H]2CCN2C[C@@H]2CC3(CCC3)CO2)c1 ZINC000878165734 1125127869 /nfs/dbraw/zinc/12/78/69/1125127869.db2.gz DBTSAPLJSJBZKU-HOTGVXAUSA-N 0 1 275.367 3.532 20 0 CHADMN CC[C@H](Cc1ccc(C(F)(F)F)cc1)NC(CF)CF ZINC000826029852 1125129308 /nfs/dbraw/zinc/12/93/08/1125129308.db2.gz KTHOPUXPOSWUOB-GFCCVEGCSA-N 0 1 295.295 3.924 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1ccccc1C1CC1 ZINC000530172208 1125130159 /nfs/dbraw/zinc/13/01/59/1125130159.db2.gz FPTMRYFAESWWDD-YWVIFJGQSA-N 0 1 287.403 3.638 20 0 CHADMN CC[C@@](C)(NC[C@H]1CCC(C)(C)CO1)c1nccs1 ZINC000878254468 1125135971 /nfs/dbraw/zinc/13/59/71/1125135971.db2.gz XHVDCDBNYDZQEV-IUODEOHRSA-N 0 1 282.453 3.563 20 0 CHADMN CC1(C)CCC[C@H](CN2CC=C(C(F)(F)F)CC2)O1 ZINC000878303337 1125138553 /nfs/dbraw/zinc/13/85/53/1125138553.db2.gz NZSTZKIBNPSNKY-GFCCVEGCSA-N 0 1 277.330 3.529 20 0 CHADMN C[C@@H]1CC[C@@H](N[C@H](CO)c2c(Cl)cccc2Cl)C1 ZINC000530281693 1125138645 /nfs/dbraw/zinc/13/86/45/1125138645.db2.gz MPXDASXILQOPCP-GIPNMCIBSA-N 0 1 288.218 3.805 20 0 CHADMN CCCCc1nc2ccc(NC(=O)Cc3ccco3)cc2[nH]1 ZINC000340622643 1125140163 /nfs/dbraw/zinc/14/01/63/1125140163.db2.gz UVESYIAYNRJQLN-UHFFFAOYSA-N 0 1 297.358 3.680 20 0 CHADMN COc1ccccc1-c1nc(CN2CCC3(CC3)CC2)co1 ZINC000878316193 1125140767 /nfs/dbraw/zinc/14/07/67/1125140767.db2.gz CJRCQLKWDFVDJU-UHFFFAOYSA-N 0 1 298.386 3.726 20 0 CHADMN FC1(F)CC2(CN(C[C@H]3CC[C@H](c4ccccc4)O3)C2)C1 ZINC000878321080 1125141707 /nfs/dbraw/zinc/14/17/07/1125141707.db2.gz MLDCHZPLZOOABM-HUUCEWRRSA-N 0 1 293.357 3.638 20 0 CHADMN C[C@H]1CC[C@]2(CC[N@@H+](Cc3nc4c(o3)CCCC4)C2)C1 ZINC000878400124 1125149184 /nfs/dbraw/zinc/14/91/84/1125149184.db2.gz XGCVUVCQVPAXNH-GUYCJALGSA-N 0 1 274.408 3.566 20 0 CHADMN C[C@H]1CC[C@]2(CCN(Cc3nc4c(o3)CCCC4)C2)C1 ZINC000878400124 1125149186 /nfs/dbraw/zinc/14/91/86/1125149186.db2.gz XGCVUVCQVPAXNH-GUYCJALGSA-N 0 1 274.408 3.566 20 0 CHADMN Cc1conc1CN1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000878406023 1125150388 /nfs/dbraw/zinc/15/03/88/1125150388.db2.gz XFUCSIQFRMJDRQ-HNNXBMFYSA-N 0 1 270.376 3.589 20 0 CHADMN CCc1nc([C@@H](C)NC[C@H]2CCCC(C)(C)O2)cs1 ZINC000878418943 1125152043 /nfs/dbraw/zinc/15/20/43/1125152043.db2.gz SVTLKYCJKQPQJL-VXGBXAGGSA-N 0 1 282.453 3.704 20 0 CHADMN COC[C@H]1CCCCN(Cc2cc(C(F)(F)F)co2)C1 ZINC000878442169 1125154916 /nfs/dbraw/zinc/15/49/16/1125154916.db2.gz WSHPIZLHKGAJNX-NSHDSACASA-N 0 1 291.313 3.547 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(C)nc2)cc1 ZINC000121804376 1125155696 /nfs/dbraw/zinc/15/56/96/1125155696.db2.gz NCPPROBDVDSCCV-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2cc[nH]n2)cc1C ZINC001137132027 1125156454 /nfs/dbraw/zinc/15/64/54/1125156454.db2.gz BGQORQIRGQQBCO-KRWDZBQOSA-N 0 1 269.392 3.754 20 0 CHADMN CC(C)[C@H](CC(F)(F)F)NCc1scnc1Cl ZINC000878481297 1125156603 /nfs/dbraw/zinc/15/66/03/1125156603.db2.gz NOYBPOXYJIKOEG-ZETCQYMHSA-N 0 1 286.750 3.863 20 0 CHADMN C[C@@H](C1CCCCC1)N(C)Cc1nccn1CC(F)F ZINC000878522282 1125157853 /nfs/dbraw/zinc/15/78/53/1125157853.db2.gz MYVYVCPSYKHDGW-LBPRGKRZSA-N 0 1 285.382 3.549 20 0 CHADMN C[N@@H+](Cc1nc2c(o1)CCCC2)C1CCC(F)(F)CC1 ZINC000878620271 1125166338 /nfs/dbraw/zinc/16/63/38/1125166338.db2.gz OSWRLLGFYWKSNU-UHFFFAOYSA-N 0 1 284.350 3.563 20 0 CHADMN CN(Cc1nc2c(o1)CCCC2)C1CCC(F)(F)CC1 ZINC000878620271 1125166342 /nfs/dbraw/zinc/16/63/42/1125166342.db2.gz OSWRLLGFYWKSNU-UHFFFAOYSA-N 0 1 284.350 3.563 20 0 CHADMN CO[C@@H]1CCN([C@H](C)c2cccc(Cl)c2F)C[C@H]1C ZINC000451575152 1125167412 /nfs/dbraw/zinc/16/74/12/1125167412.db2.gz SDGOUBXTNQQQBZ-JTNHKYCSSA-N 0 1 285.790 3.897 20 0 CHADMN CC(C)c1cccc2c1OCCC[C@H]2NCc1cnn(C)c1 ZINC000122016830 1125168362 /nfs/dbraw/zinc/16/83/62/1125168362.db2.gz AYVPCYZLRPXAAN-QGZVFWFLSA-N 0 1 299.418 3.547 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@@H]1CC12CCCC2 ZINC000530627286 1125168873 /nfs/dbraw/zinc/16/88/73/1125168873.db2.gz IYYSNXKSRQEGSN-VIFPVBQESA-N 0 1 265.740 3.564 20 0 CHADMN Cc1ccc(CN(C)C[C@H]2CC[C@@H](c3ccccc3)O2)nc1 ZINC000878669263 1125172003 /nfs/dbraw/zinc/17/20/03/1125172003.db2.gz XDOINPVWQMJRLP-MOPGFXCFSA-N 0 1 296.414 3.742 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccccc1)c1ccc(F)c(F)c1 ZINC000304432795 1125174467 /nfs/dbraw/zinc/17/44/67/1125174467.db2.gz BKDPBIXFZMBLMM-SJKOYZFVSA-N 0 1 291.341 3.739 20 0 CHADMN C[C@H]1CN(Cc2csc(-c3cccs3)n2)C[C@H]1C ZINC000530732610 1125175047 /nfs/dbraw/zinc/17/50/47/1125175047.db2.gz AMCVZVVSYYDWEO-PHIMTYICSA-N 0 1 278.446 3.959 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1CCC[C@@H](C)[C@H]1C ZINC000530863876 1125184419 /nfs/dbraw/zinc/18/44/19/1125184419.db2.gz MGYCJDDWALZMGK-DGCLKSJQSA-N 0 1 294.826 3.707 20 0 CHADMN C[C@@H](NCCCSC(C)(C)C)c1cscn1 ZINC000878915885 1125185844 /nfs/dbraw/zinc/18/58/44/1125185844.db2.gz ONWZANGXQDAKLU-SNVBAGLBSA-N 0 1 258.456 3.716 20 0 CHADMN CC1(C)C[N@@H+](C[C@@H]2CCCC(C)(C)O2)[C@H]1c1ccncc1 ZINC000879009773 1125191739 /nfs/dbraw/zinc/19/17/39/1125191739.db2.gz GWBCVSPSHABUEQ-HOTGVXAUSA-N 0 1 288.435 3.812 20 0 CHADMN CC1(C)CN(C[C@@H]2CCCC(C)(C)O2)[C@H]1c1ccncc1 ZINC000879009773 1125191741 /nfs/dbraw/zinc/19/17/41/1125191741.db2.gz GWBCVSPSHABUEQ-HOTGVXAUSA-N 0 1 288.435 3.812 20 0 CHADMN C[C@@H](C1CC1)N(Cc1csc(N(C)C2CC2)n1)C1CC1 ZINC000122684871 1125198070 /nfs/dbraw/zinc/19/80/70/1125198070.db2.gz PBFPLBOAHSOTTA-NSHDSACASA-N 0 1 291.464 3.505 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@H]2CSC[C@@H]2C1 ZINC000879559133 1125220138 /nfs/dbraw/zinc/22/01/38/1125220138.db2.gz NFRBTWYMXMFBCO-AGIUHOORSA-N 0 1 294.464 3.718 20 0 CHADMN CSCc1cc(F)ccc1CN[C@H](C)c1ccns1 ZINC000925250136 1125230505 /nfs/dbraw/zinc/23/05/05/1125230505.db2.gz RTPDEKSVVDBZPB-SNVBAGLBSA-N 0 1 296.436 3.996 20 0 CHADMN OCCC1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)ccc1F ZINC000879779186 1125233345 /nfs/dbraw/zinc/23/33/45/1125233345.db2.gz PBMSTXCCBGCPFA-PHTAMDTFSA-N 0 1 297.801 3.605 20 0 CHADMN Fc1ccc2nc(-c3cccc(-n4cccn4)c3)[nH]c2c1 ZINC000532109778 1125235534 /nfs/dbraw/zinc/23/55/34/1125235534.db2.gz ZAOWQYUPKUMUJQ-UHFFFAOYSA-N 0 1 278.290 3.555 20 0 CHADMN CN(CCOCc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000532312257 1125248411 /nfs/dbraw/zinc/24/84/11/1125248411.db2.gz APOJIFIYBHMEDJ-UHFFFAOYSA-N 0 1 291.341 3.613 20 0 CHADMN COC(=O)[C@@H](c1ccccc1)N1CCC[C@@H](CC(C)C)C1 ZINC001168144760 1125257485 /nfs/dbraw/zinc/25/74/85/1125257485.db2.gz HDUYVBXOYIGGFF-DOTOQJQBSA-N 0 1 289.419 3.659 20 0 CHADMN FC[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000880234060 1125258491 /nfs/dbraw/zinc/25/84/91/1125258491.db2.gz HGXSQZJRFSSSJQ-CYBMUJFWSA-N 0 1 274.339 3.523 20 0 CHADMN FC[C@H]1CCCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000880234060 1125258494 /nfs/dbraw/zinc/25/84/94/1125258494.db2.gz HGXSQZJRFSSSJQ-CYBMUJFWSA-N 0 1 274.339 3.523 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN1CC[C@H](CF)C1 ZINC000880293398 1125263003 /nfs/dbraw/zinc/26/30/03/1125263003.db2.gz JSUQXWDCCPDSGI-LLVKDONJSA-N 0 1 280.368 3.503 20 0 CHADMN FC[C@H]1CCN(Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000880300586 1125263071 /nfs/dbraw/zinc/26/30/71/1125263071.db2.gz UFXICXVEFHJHJW-LLVKDONJSA-N 0 1 294.757 3.786 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N1CC[C@H](c2nccs2)C1 ZINC000880319336 1125266223 /nfs/dbraw/zinc/26/62/23/1125266223.db2.gz FOPOKSZNFBAWRI-NEPJUHHUSA-N 0 1 299.399 3.835 20 0 CHADMN C[C@]1(c2ccccc2)CCCN1Cc1cscn1 ZINC000880370903 1125268742 /nfs/dbraw/zinc/26/87/42/1125268742.db2.gz WFCJFHGKXLOKCB-OAHLLOKOSA-N 0 1 258.390 3.654 20 0 CHADMN Cc1ccc(CN2CCC3(CCCCO3)CC2)nc1Cl ZINC000880458675 1125275695 /nfs/dbraw/zinc/27/56/95/1125275695.db2.gz HROFIBIGZBSMNT-UHFFFAOYSA-N 0 1 294.826 3.579 20 0 CHADMN Cc1cc(C)c([C@H](C)N2CCc3ncncc3C2)c(C)c1 ZINC000880596130 1125281594 /nfs/dbraw/zinc/28/15/94/1125281594.db2.gz CFRRYKYNZPCBMF-HNNXBMFYSA-N 0 1 281.403 3.521 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000475733757 1125282172 /nfs/dbraw/zinc/28/21/72/1125282172.db2.gz VGBFSEXDUIKWQC-UPJWGTAASA-N 0 1 293.382 3.559 20 0 CHADMN CCC(CC)[N@H+](Cc1cn[nH]n1)[C@H](C)c1ccccc1 ZINC001203213264 1125282367 /nfs/dbraw/zinc/28/23/67/1125282367.db2.gz NFPDRODZRYZTRU-CYBMUJFWSA-N 0 1 272.396 3.557 20 0 CHADMN Cc1ccc(C)c(NC(=O)C[N@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)c1 ZINC000475732221 1125282410 /nfs/dbraw/zinc/28/24/10/1125282410.db2.gz GHDIDGWDGIQAJH-FVQBIDKESA-N 0 1 288.435 3.608 20 0 CHADMN CCc1cccc2cc(CN(C)Cc3cccc(=O)[nH]3)oc21 ZINC000897391336 1125288044 /nfs/dbraw/zinc/28/80/44/1125288044.db2.gz MEBYIEUSBDHHHT-UHFFFAOYSA-N 0 1 296.370 3.728 20 0 CHADMN Cc1noc(C)c1[C@H](C)NC/C=C\c1ccccc1 ZINC000211151168 1125290685 /nfs/dbraw/zinc/29/06/85/1125290685.db2.gz FKQYJPBXSDKIES-UMAGTOLTSA-N 0 1 256.349 3.655 20 0 CHADMN Cc1ncc(CN[C@H](c2ccccc2C)C2CC2)o1 ZINC000666167145 1125304673 /nfs/dbraw/zinc/30/46/73/1125304673.db2.gz PXPIGHOMKCGRSJ-INIZCTEOSA-N 0 1 256.349 3.532 20 0 CHADMN Cc1cc(-c2nc3ccc(F)cc3[nH]2)cnc1Cl ZINC000760218772 1125305432 /nfs/dbraw/zinc/30/54/32/1125305432.db2.gz RHUDNVRNVSYCOI-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN COc1ccc([C@@H](C)NCc2cnc(C3CC3)nc2)cc1C ZINC000897414784 1125316190 /nfs/dbraw/zinc/31/61/90/1125316190.db2.gz LHPNZFROFYZMNA-CYBMUJFWSA-N 0 1 297.402 3.522 20 0 CHADMN CCN(C)c1ccc(CN[C@H](C)c2cc(C)oc2C)cn1 ZINC000190903170 1125320409 /nfs/dbraw/zinc/32/04/09/1125320409.db2.gz MKMMFCPKLNEUQN-CYBMUJFWSA-N 0 1 287.407 3.598 20 0 CHADMN CCNc1cc(C)ccc1NC(=O)c1cccc2cn[nH]c21 ZINC000191367165 1125323817 /nfs/dbraw/zinc/32/38/17/1125323817.db2.gz URGMXVIPKWAIEY-UHFFFAOYSA-N 0 1 294.358 3.555 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)Cc1ncccn1 ZINC000192053640 1125330586 /nfs/dbraw/zinc/33/05/86/1125330586.db2.gz FPOVVXAWVONEGD-QWHCGFSZSA-N 0 1 289.810 3.754 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1ncccn1 ZINC000192053640 1125330589 /nfs/dbraw/zinc/33/05/89/1125330589.db2.gz FPOVVXAWVONEGD-QWHCGFSZSA-N 0 1 289.810 3.754 20 0 CHADMN CC(C)OCCCN1CCc2cc(Cl)ccc2C1 ZINC000192244080 1125333201 /nfs/dbraw/zinc/33/32/01/1125333201.db2.gz VBVUSRGJKPUYFD-UHFFFAOYSA-N 0 1 267.800 3.513 20 0 CHADMN CCOC(=O)c1cc2[nH]c(-c3ccccc3C)ccc-2n1 ZINC001239499416 1131349033 /nfs/dbraw/zinc/34/90/33/1131349033.db2.gz NWJSORJPGTVTGI-UHFFFAOYSA-N 0 1 280.327 3.715 20 0 CHADMN CC[C@@H](NCc1cccc(C)n1)c1ccc(F)cc1 ZINC000051574199 1125360033 /nfs/dbraw/zinc/36/00/33/1125360033.db2.gz IJSVEUPRFHGERQ-MRXNPFEDSA-N 0 1 258.340 3.770 20 0 CHADMN CC(C)[C@H]1COCC[N@H+]1[C@H](C)Cc1ccc(Cl)cc1 ZINC001168189637 1125366490 /nfs/dbraw/zinc/36/64/90/1125366490.db2.gz UDMIXCAKGRPBKH-CZUORRHYSA-N 0 1 281.827 3.628 20 0 CHADMN CCCN(Cc1ccccc1)Cn1cc(C)cnc1=S ZINC000130732339 1125367819 /nfs/dbraw/zinc/36/78/19/1125367819.db2.gz NQHLEKBNCJOJCP-UHFFFAOYSA-N 0 1 287.432 3.791 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)N1CCC(=O)C(C)(C)C1 ZINC001168190095 1125368635 /nfs/dbraw/zinc/36/86/35/1125368635.db2.gz WPHPASUCFUSTHF-GFCCVEGCSA-N 0 1 279.811 3.572 20 0 CHADMN Fc1ccc([C@H](NCc2ccco2)C2CCOCC2)cc1 ZINC000883164579 1125374328 /nfs/dbraw/zinc/37/43/28/1125374328.db2.gz JRAOBBWDYISQCL-KRWDZBQOSA-N 0 1 289.350 3.676 20 0 CHADMN C/C=C\C[C@@H]1CCCN([C@H](C)c2nc(C3CC3)no2)C1 ZINC000626161594 1125377205 /nfs/dbraw/zinc/37/72/05/1125377205.db2.gz GCMWMUWJLVOPTQ-FGTRRKKMSA-N 0 1 275.396 3.686 20 0 CHADMN CCOC(=O)c1coc(CN[C@H](CC)c2cccs2)c1 ZINC000354133130 1125383218 /nfs/dbraw/zinc/38/32/18/1125383218.db2.gz AMJMHDWUYMYTAA-CYBMUJFWSA-N 0 1 293.388 3.759 20 0 CHADMN CC(C)(CN[C@@H]1c2ccccc2OC[C@H]1F)CC(F)F ZINC000883260546 1125387028 /nfs/dbraw/zinc/38/70/28/1125387028.db2.gz YVQFSSLCAQSBIH-BXUZGUMPSA-N 0 1 287.325 3.729 20 0 CHADMN CC(C)(CN[C@@H]1c2ccccc2OC[C@@H]1F)CC(F)F ZINC000883260549 1125387333 /nfs/dbraw/zinc/38/73/33/1125387333.db2.gz YVQFSSLCAQSBIH-SMDDNHRTSA-N 0 1 287.325 3.729 20 0 CHADMN Cc1noc(C)c1CN(C)Cc1c(C)oc2ccccc21 ZINC000131411473 1125391438 /nfs/dbraw/zinc/39/14/38/1125391438.db2.gz CQGOFJYHQVBKIS-UHFFFAOYSA-N 0 1 284.359 3.978 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)[C@@H]1CCCc2sccc21 ZINC000532458951 1125391765 /nfs/dbraw/zinc/39/17/65/1125391765.db2.gz IKAHMXXDBGXMQK-GFCCVEGCSA-N 0 1 297.383 3.683 20 0 CHADMN COc1ncccc1CN[C@H](CC1CC1)c1ccccc1 ZINC000532458787 1125391912 /nfs/dbraw/zinc/39/19/12/1125391912.db2.gz JKXPEXHCSQNOPB-QGZVFWFLSA-N 0 1 282.387 3.721 20 0 CHADMN C[C@H]1CN(Cc2c(F)cccc2Cl)CC[C@@H]1C ZINC001168200727 1125392505 /nfs/dbraw/zinc/39/25/05/1125392505.db2.gz IDSMFWQRAIAHSW-QWRGUYRKSA-N 0 1 255.764 3.957 20 0 CHADMN C[C@@H](CCc1ccsc1)NC1(c2ncccn2)CCC1 ZINC000883312021 1125393951 /nfs/dbraw/zinc/39/39/51/1125393951.db2.gz RAOPTVSGUOPNEY-ZDUSSCGKSA-N 0 1 287.432 3.528 20 0 CHADMN Cc1ccc(NC(=O)CN(CC(C)C)C2CC2)c(Cl)c1 ZINC000044898241 1125394359 /nfs/dbraw/zinc/39/43/59/1125394359.db2.gz RBHADJKMPLFHNQ-UHFFFAOYSA-N 0 1 294.826 3.707 20 0 CHADMN c1oc(-c2ccccc2)nc1CNC[C@@H]1CCC2(CCC2)O1 ZINC000883364687 1125402075 /nfs/dbraw/zinc/40/20/75/1125402075.db2.gz MLCDCTIXEWJODF-INIZCTEOSA-N 0 1 298.386 3.533 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccccc2N(C)C)o1 ZINC000171127129 1125403497 /nfs/dbraw/zinc/40/34/97/1125403497.db2.gz BXCSDHPYXYPPTJ-ZDUSSCGKSA-N 0 1 258.365 3.505 20 0 CHADMN F[C@@H]1CCc2ccccc2[C@@H]1NCc1cccc2n[nH]cc21 ZINC000883381496 1125406228 /nfs/dbraw/zinc/40/62/28/1125406228.db2.gz ODORLWHQOCGMOR-AEFFLSMTSA-N 0 1 295.361 3.678 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@@H](C)c2cnn(C(C)C)c2)s1 ZINC000532511578 1125409425 /nfs/dbraw/zinc/40/94/25/1125409425.db2.gz MBMGUPPPOQWEGT-WDEREUQCSA-N 0 1 292.452 3.949 20 0 CHADMN c1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)nc1 ZINC000029832961 1125417753 /nfs/dbraw/zinc/41/77/53/1125417753.db2.gz DSRKEYSRMQGELQ-CQSZACIVSA-N 0 1 293.370 3.602 20 0 CHADMN CCc1nocc1CN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000508663731 1125420486 /nfs/dbraw/zinc/42/04/86/1125420486.db2.gz HQFQOFBSMRIQEU-YVEFUNNKSA-N 0 1 288.366 3.959 20 0 CHADMN F[C@H]1C[C@H](CNc2ccc3c(c2)nc2cc[nH]cc3-2)C1 ZINC001168238784 1125423276 /nfs/dbraw/zinc/42/32/76/1125423276.db2.gz TVXNEJHQLUAMGS-XYPYZODXSA-N 0 1 269.323 3.876 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1Cc1nc(C(C)(C)C)no1 ZINC000532622730 1125429097 /nfs/dbraw/zinc/42/90/97/1125429097.db2.gz BVRMIUZLFCZCGY-STQMWFEESA-N 0 1 279.428 3.768 20 0 CHADMN CCN(Cc1ccc(Cl)cc1)Cc1ccccn1 ZINC000104948976 1125434153 /nfs/dbraw/zinc/43/41/53/1125434153.db2.gz OFAXEWYHTVDKAE-UHFFFAOYSA-N 0 1 260.768 3.757 20 0 CHADMN COCc1ccc(CN2CCC[C@H]2c2ccc(F)cc2)o1 ZINC000124063792 1125434493 /nfs/dbraw/zinc/43/44/93/1125434493.db2.gz XXNPWTWGEDWECV-KRWDZBQOSA-N 0 1 289.350 3.902 20 0 CHADMN C[C@H]1CCCN(Cc2ncc(-c3cccs3)o2)C1 ZINC000041646326 1125434539 /nfs/dbraw/zinc/43/45/39/1125434539.db2.gz BUOJLZQNEGEPOZ-NSHDSACASA-N 0 1 262.378 3.635 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNCc2cccc(N(C)C)c2)o1 ZINC000105434695 1125435639 /nfs/dbraw/zinc/43/56/39/1125435639.db2.gz HDCAEYSABMECIL-CXAGYDPISA-N 0 1 284.403 3.759 20 0 CHADMN Cc1csc(CN2CCC[C@@H](CC(C)C)C2)n1 ZINC000124331740 1125437682 /nfs/dbraw/zinc/43/76/82/1125437682.db2.gz HJUZHUUWWTUQSN-ZDUSSCGKSA-N 0 1 252.427 3.710 20 0 CHADMN Cc1csc(CN2CCC[C@H](CC(C)C)C2)n1 ZINC000124331519 1125437826 /nfs/dbraw/zinc/43/78/26/1125437826.db2.gz HJUZHUUWWTUQSN-CYBMUJFWSA-N 0 1 252.427 3.710 20 0 CHADMN C[C@@H]1CCCN1Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000124328097 1125438090 /nfs/dbraw/zinc/43/80/90/1125438090.db2.gz XGDBBZJFXBROJO-SNVBAGLBSA-N 0 1 297.324 3.576 20 0 CHADMN CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000042356117 1125440924 /nfs/dbraw/zinc/44/09/24/1125440924.db2.gz XQIULYIVUBFLIW-QWHCGFSZSA-N 0 1 294.464 3.578 20 0 CHADMN CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@@H]1c1cccs1 ZINC000042356117 1125440926 /nfs/dbraw/zinc/44/09/26/1125440926.db2.gz XQIULYIVUBFLIW-QWHCGFSZSA-N 0 1 294.464 3.578 20 0 CHADMN CCCNC(=O)Nc1cc(Cl)c(CC)c(Cl)c1O ZINC001202593808 1125441667 /nfs/dbraw/zinc/44/16/67/1125441667.db2.gz PAPVQNUMKUEYNE-UHFFFAOYSA-N 0 1 291.178 3.793 20 0 CHADMN CSCc1cc(F)ccc1CN[C@@H](C)c1cccnc1 ZINC000124888454 1125442546 /nfs/dbraw/zinc/44/25/46/1125442546.db2.gz JSLMINHGVSGIKA-LBPRGKRZSA-N 0 1 290.407 3.935 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2cc(C)c(C)o2)n[nH]1 ZINC000282860967 1125449856 /nfs/dbraw/zinc/44/98/56/1125449856.db2.gz UQEQHEUIPAVFCY-WCQGTBRESA-N 0 1 290.411 3.940 20 0 CHADMN CCN(Cc1cc(-c2ccccc2)on1)C1CCC1 ZINC000348267909 1125453663 /nfs/dbraw/zinc/45/36/63/1125453663.db2.gz AVRCOCOOBKPAJL-UHFFFAOYSA-N 0 1 256.349 3.716 20 0 CHADMN CCN(Cc1nccnc1C)[C@H](C)c1ccc(F)cc1 ZINC000621712782 1129184901 /nfs/dbraw/zinc/18/49/01/1129184901.db2.gz ORJMZJFAYROHPY-CYBMUJFWSA-N 0 1 273.355 3.507 20 0 CHADMN Cc1nccnc1C[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000621718488 1129186160 /nfs/dbraw/zinc/18/61/60/1129186160.db2.gz JUTGUZKCTJSORI-LJQANCHMSA-N 0 1 295.430 3.630 20 0 CHADMN CCCCC1CCC(NC(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC000621723680 1129187169 /nfs/dbraw/zinc/18/71/69/1129187169.db2.gz NXQGPDQKFUMTQG-UHFFFAOYSA-N 0 1 291.439 3.553 20 0 CHADMN Cc1nccnc1CN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000621732235 1129187887 /nfs/dbraw/zinc/18/78/87/1129187887.db2.gz UGLPRUMKUSDFAX-GOSISDBHSA-N 0 1 291.398 3.678 20 0 CHADMN CC1(c2ccccc2)CN(Cc2cc3cccnc3o2)C1 ZINC000621735443 1129188630 /nfs/dbraw/zinc/18/86/30/1129188630.db2.gz JKJBCJLIECPHHQ-UHFFFAOYSA-N 0 1 278.355 3.601 20 0 CHADMN CC(C)Cc1ncc(CN2CC(CC3CC3)C2)s1 ZINC000621740514 1129189373 /nfs/dbraw/zinc/18/93/73/1129189373.db2.gz UTHPTUUKAHLEPW-UHFFFAOYSA-N 0 1 264.438 3.574 20 0 CHADMN CO[C@H]1CC=C(Nc2scnc2C(C)C)CC1 ZINC001212878267 1129276577 /nfs/dbraw/zinc/27/65/77/1129276577.db2.gz IOSAPKKKYDHKNW-NSHDSACASA-N 0 1 252.383 3.761 20 0 CHADMN COc1nccc(CN[C@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000296482906 1129222553 /nfs/dbraw/zinc/22/25/53/1129222553.db2.gz QEIZDDUNTKNKNR-CYBMUJFWSA-N 0 1 299.418 3.634 20 0 CHADMN Cn1cccc1[C@H]1CCCN1Cc1ccc(C(F)F)nc1 ZINC000637871020 1129232912 /nfs/dbraw/zinc/23/29/12/1129232912.db2.gz YSTKHQNPKGBBOM-OAHLLOKOSA-N 0 1 291.345 3.695 20 0 CHADMN COc1cc(Cl)cc(C[N@H+]([C@@H](C)C2CC2)C2CC2)c1[O-] ZINC000184680781 1129235061 /nfs/dbraw/zinc/23/50/61/1129235061.db2.gz KMDPSWYPJVTODZ-JTQLQIEISA-N 0 1 295.810 3.817 20 0 CHADMN COc1cc(Cl)cc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)c1[O-] ZINC000184680781 1129235066 /nfs/dbraw/zinc/23/50/66/1129235066.db2.gz KMDPSWYPJVTODZ-JTQLQIEISA-N 0 1 295.810 3.817 20 0 CHADMN Cc1cc(CN)oc1C(=O)N[C@H](CCC(C)C)C(C)(C)C ZINC000637998014 1129240471 /nfs/dbraw/zinc/24/04/71/1129240471.db2.gz GRMCZNPAPAHUDD-CQSZACIVSA-N 0 1 294.439 3.627 20 0 CHADMN Cc1ccc([C@H](C)NCc2cnc3ccccc3c2)o1 ZINC000336826729 1129246053 /nfs/dbraw/zinc/24/60/53/1129246053.db2.gz UIDMATUPJIJSEY-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc(C)cc1F ZINC000638172741 1129247253 /nfs/dbraw/zinc/24/72/53/1129247253.db2.gz ZPPOHIPHIKLDHP-QGZVFWFLSA-N 0 1 287.382 3.513 20 0 CHADMN CC(C)C(C)(C)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000622351294 1129251869 /nfs/dbraw/zinc/25/18/69/1129251869.db2.gz LWZLTILETZJAJA-UHFFFAOYSA-N 0 1 289.297 3.575 20 0 CHADMN Fc1ncccc1CN1CCC[C@@H](Cc2ccccc2)C1 ZINC001138789311 1129254588 /nfs/dbraw/zinc/25/45/88/1129254588.db2.gz WGCHDMUIBGYQNT-INIZCTEOSA-N 0 1 284.378 3.675 20 0 CHADMN C[C@@H](NCc1cnc(Cl)s1)c1ccc2c(c1)CCO2 ZINC000718186361 1129256978 /nfs/dbraw/zinc/25/69/78/1129256978.db2.gz IRPDOQRTFHQCJE-SECBINFHSA-N 0 1 294.807 3.582 20 0 CHADMN COc1ncc(CN[C@H]2CCc3c2cccc3Cl)s1 ZINC000638424397 1129257677 /nfs/dbraw/zinc/25/76/77/1129257677.db2.gz IGYYTCQRGJZTNW-ZDUSSCGKSA-N 0 1 294.807 3.582 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1cnc(Cl)s1 ZINC000718187910 1129258015 /nfs/dbraw/zinc/25/80/15/1129258015.db2.gz SGYYNLWEEKRWMT-LBPRGKRZSA-N 0 1 282.771 3.713 20 0 CHADMN CCCOc1cccc(CNCc2cnc(Cl)s2)c1 ZINC000718190641 1129258023 /nfs/dbraw/zinc/25/80/23/1129258023.db2.gz UUVOROONQZAMQG-UHFFFAOYSA-N 0 1 296.823 3.875 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1cc(C2CC2)no1 ZINC000638426485 1129258325 /nfs/dbraw/zinc/25/83/25/1129258325.db2.gz UGDXNORPWOZXBP-INIZCTEOSA-N 0 1 268.360 3.638 20 0 CHADMN c1c(CNCc2cc(C3CC3)no2)sc2c1CCCC2 ZINC000638436838 1129258791 /nfs/dbraw/zinc/25/87/91/1129258791.db2.gz FRBKOUTZDYPXKL-UHFFFAOYSA-N 0 1 288.416 3.782 20 0 CHADMN Cc1cc(CN[C@H]2CCc3c2cccc3Cl)sn1 ZINC000638426487 1129258959 /nfs/dbraw/zinc/25/89/59/1129258959.db2.gz RPTXVLLMQVOOEJ-AWEZNQCLSA-N 0 1 278.808 3.882 20 0 CHADMN CCc1ccc(NC(=O)[C@H](C)N2CCCCCC2)cc1F ZINC000622460284 1129260011 /nfs/dbraw/zinc/26/00/11/1129260011.db2.gz MFBZLSPBKCUNNP-ZDUSSCGKSA-N 0 1 292.398 3.591 20 0 CHADMN Cc1cccnc1[C@H](NCc1cccc(F)c1N)C(C)C ZINC000638632708 1129264546 /nfs/dbraw/zinc/26/45/46/1129264546.db2.gz SDNRHQWXFSUWOU-MRXNPFEDSA-N 0 1 287.382 3.598 20 0 CHADMN C[N@@H+](Cc1cc2ccccc2nc1Cl)[C@H]1CCSC1 ZINC000037758331 1129265004 /nfs/dbraw/zinc/26/50/04/1129265004.db2.gz CXUMMPRLCRSPKT-ZDUSSCGKSA-N 0 1 292.835 3.826 20 0 CHADMN CN(Cc1cc2ccccc2nc1Cl)[C@H]1CCSC1 ZINC000037758331 1129265005 /nfs/dbraw/zinc/26/50/05/1129265005.db2.gz CXUMMPRLCRSPKT-ZDUSSCGKSA-N 0 1 292.835 3.826 20 0 CHADMN CCC(CC)c1cc(CN[C@H]2CS[C@@H](C)C2)on1 ZINC000638689590 1129266263 /nfs/dbraw/zinc/26/62/63/1129266263.db2.gz MHBMKWJYSJLGJG-CMPLNLGQSA-N 0 1 268.426 3.562 20 0 CHADMN C[C@H](NCc1c(F)cccc1OC(F)F)[C@H]1CC1(F)F ZINC000638699961 1129266971 /nfs/dbraw/zinc/26/69/71/1129266971.db2.gz DQACMYOOESJQDA-IONNQARKSA-N 0 1 295.251 3.560 20 0 CHADMN C[C@@H](N(C)Cc1ccn(-c2cccc(F)c2)n1)C(C)(C)C ZINC000622586276 1129267270 /nfs/dbraw/zinc/26/72/70/1129267270.db2.gz RYZFJJKFDNTKFS-CYBMUJFWSA-N 0 1 289.398 3.878 20 0 CHADMN C[C@@H](c1ccccn1)N(C)[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000638922938 1129274899 /nfs/dbraw/zinc/27/48/99/1129274899.db2.gz NFYNZIDZMRQOMD-BBRMVZONSA-N 0 1 299.422 3.514 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cc(C3CC3)no1)[C@@H](C)C2 ZINC000638965145 1129275966 /nfs/dbraw/zinc/27/59/66/1129275966.db2.gz SUINPGKORGLAAW-SGTLLEGYSA-N 0 1 282.387 3.884 20 0 CHADMN c1c(CNC[C@H]2CCC3(CCCCC3)O2)onc1C1CC1 ZINC000639097791 1129280860 /nfs/dbraw/zinc/28/08/60/1129280860.db2.gz DPNFYWYNQHCROV-CQSZACIVSA-N 0 1 290.407 3.524 20 0 CHADMN C[C@]12CCCC[C@H]1CN2Cc1nccn1-c1ccccc1 ZINC000626103727 1129280864 /nfs/dbraw/zinc/28/08/64/1129280864.db2.gz NEKXZUJMDWMJSY-YJBOKZPZSA-N 0 1 281.403 3.637 20 0 CHADMN C[C@]12CCCC[C@H]1CN2Cc1cccnc1C(F)(F)F ZINC000626103144 1129281018 /nfs/dbraw/zinc/28/10/18/1129281018.db2.gz NOTWJRSUTFRVJQ-JSGCOSHPSA-N 0 1 284.325 3.865 20 0 CHADMN Cc1cc(CN2CC[C@H](C(F)(F)F)C2(C)C)sn1 ZINC000639092832 1129281192 /nfs/dbraw/zinc/28/11/92/1129281192.db2.gz DIYUWPQJVGXSON-JTQLQIEISA-N 0 1 278.343 3.614 20 0 CHADMN C[C@H](OC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC000733912727 1129285557 /nfs/dbraw/zinc/28/55/57/1129285557.db2.gz ZAQWQCGTIAADEX-GJZGRUSLSA-N 0 1 275.392 3.555 20 0 CHADMN Cc1ncc([C@@H](C)N2CCC=C(c3ccco3)C2)c(C)n1 ZINC000639157725 1129287856 /nfs/dbraw/zinc/28/78/56/1129287856.db2.gz RSGRLBOSNUBBRZ-CYBMUJFWSA-N 0 1 283.375 3.537 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1ccc(C(F)F)nc1 ZINC000639179557 1129289245 /nfs/dbraw/zinc/28/92/45/1129289245.db2.gz UKTWTXWOVHZDNS-HNNXBMFYSA-N 0 1 291.345 3.997 20 0 CHADMN Cc1ncc([C@H](C)NC(C)(C)c2ccccc2F)c(C)n1 ZINC000639218128 1129294164 /nfs/dbraw/zinc/29/41/64/1129294164.db2.gz AQJSUPWOTHOUEU-LBPRGKRZSA-N 0 1 287.382 3.818 20 0 CHADMN COc1ccc(CNCc2cc(F)cc(F)c2)cc1Cl ZINC000718898238 1129295012 /nfs/dbraw/zinc/29/50/12/1129295012.db2.gz JRCFSJWISOMYNC-UHFFFAOYSA-N 0 1 297.732 3.917 20 0 CHADMN Cc1ccccc1C[C@@H]1CCCN1Cn1cc(Cl)cn1 ZINC000734146828 1129297472 /nfs/dbraw/zinc/29/74/72/1129297472.db2.gz QRARLOTVCWRJAE-INIZCTEOSA-N 0 1 289.810 3.510 20 0 CHADMN FC(F)(F)Cc1ccc(CN2CC3(CC3(F)F)C2)cc1 ZINC000639294136 1129301039 /nfs/dbraw/zinc/30/10/39/1129301039.db2.gz CRZNHDIGSHZBTA-UHFFFAOYSA-N 0 1 291.263 3.632 20 0 CHADMN Cc1ccnc(N[C@@H](C)c2cnc(C)nc2C)c1C1CC1 ZINC000639312340 1129301903 /nfs/dbraw/zinc/30/19/03/1129301903.db2.gz WIOABTZUIBIROX-LBPRGKRZSA-N 0 1 282.391 3.847 20 0 CHADMN Cc1ncc([C@H](C)N2CCC(c3ccco3)CC2)c(C)n1 ZINC000639306974 1129302072 /nfs/dbraw/zinc/30/20/72/1129302072.db2.gz YKGAXIQFCRNODJ-ZDUSSCGKSA-N 0 1 285.391 3.627 20 0 CHADMN Cc1cccc2c1CCC[C@H]2NCc1ccns1 ZINC000639326097 1129302605 /nfs/dbraw/zinc/30/26/05/1129302605.db2.gz DJDNBFSYVAZROS-OAHLLOKOSA-N 0 1 258.390 3.619 20 0 CHADMN FC(F)(F)c1cccc2c1CN(CCC[C@@H]1CCO1)CC2 ZINC000639353465 1129305169 /nfs/dbraw/zinc/30/51/69/1129305169.db2.gz UUNCMRCVKGCBPE-CYBMUJFWSA-N 0 1 299.336 3.633 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000639366799 1129307066 /nfs/dbraw/zinc/30/70/66/1129307066.db2.gz NOKMJERRBHNIKR-PKOBYXMFSA-N 0 1 299.389 3.832 20 0 CHADMN Cc1ccc(CN2CC[C@@H](O)C[C@@H]2c2ccccc2)cc1F ZINC000639366977 1129307943 /nfs/dbraw/zinc/30/79/43/1129307943.db2.gz OISSTIQSOHXOKY-IEBWSBKVSA-N 0 1 299.389 3.832 20 0 CHADMN CC(C)c1ccc(NC(=O)c2cc(C(F)F)n[nH]2)cc1 ZINC000639449501 1129316247 /nfs/dbraw/zinc/31/62/47/1129316247.db2.gz JENPNTJYRQEAMM-UHFFFAOYSA-N 0 1 279.290 3.723 20 0 CHADMN COC(C)(C)C[N@@H+](C)Cc1oc(-c2ccccc2)nc1C ZINC000639517654 1129321110 /nfs/dbraw/zinc/32/11/10/1129321110.db2.gz YIPUNKDTEFUSBR-UHFFFAOYSA-N 0 1 288.391 3.507 20 0 CHADMN Cc1cc(C)c(CNC2(c3ccc(F)cc3)CC2)c(C)n1 ZINC000639530021 1129321568 /nfs/dbraw/zinc/32/15/68/1129321568.db2.gz OJISETNXAZOZCI-UHFFFAOYSA-N 0 1 284.378 3.925 20 0 CHADMN CC(=O)CN[C@@H](CCc1ccccc1)c1ccccc1 ZINC000639562202 1129323744 /nfs/dbraw/zinc/32/37/44/1129323744.db2.gz SYSOPMHAVIQOSX-SFHVURJKSA-N 0 1 267.372 3.539 20 0 CHADMN C[C@H](NCc1nc(C2CCC2)no1)C(C)(C)c1ccccc1 ZINC000639576324 1129324779 /nfs/dbraw/zinc/32/47/79/1129324779.db2.gz CCLQTRPDZSMFDA-ZDUSSCGKSA-N 0 1 299.418 3.793 20 0 CHADMN CC(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000639577390 1129325311 /nfs/dbraw/zinc/32/53/11/1129325311.db2.gz HMLDXAASGOTAML-CYBMUJFWSA-N 0 1 273.298 3.581 20 0 CHADMN CSCC1CCN(Cc2cc(C)nc(Cl)c2)CC1 ZINC000719323241 1129327849 /nfs/dbraw/zinc/32/78/49/1129327849.db2.gz FCCOGVGCJJJBMM-UHFFFAOYSA-N 0 1 284.856 3.618 20 0 CHADMN Clc1cccnc1C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639694916 1129329964 /nfs/dbraw/zinc/32/99/64/1129329964.db2.gz OSVCQLKWKDPDIR-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN Clc1cccnc1CN1CCC[C@H](c2cccnc2)C1 ZINC000639694916 1129329967 /nfs/dbraw/zinc/32/99/67/1129329967.db2.gz OSVCQLKWKDPDIR-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639776526 1129332846 /nfs/dbraw/zinc/33/28/46/1129332846.db2.gz BLAPLSNYPLBDTR-KRWDZBQOSA-N 0 1 284.407 3.574 20 0 CHADMN Cc1nc(C(C)C)ccc1CN1CCC[C@H]1c1cn[nH]c1 ZINC000639776526 1129332850 /nfs/dbraw/zinc/33/28/50/1129332850.db2.gz BLAPLSNYPLBDTR-KRWDZBQOSA-N 0 1 284.407 3.574 20 0 CHADMN CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639777272 1129333056 /nfs/dbraw/zinc/33/30/56/1129333056.db2.gz KARSJQORZBBTCY-SFHVURJKSA-N 0 1 298.434 3.828 20 0 CHADMN CCc1nc(C(C)C)ccc1CN1CCC[C@H]1c1cn[nH]c1 ZINC000639777272 1129333060 /nfs/dbraw/zinc/33/30/60/1129333060.db2.gz KARSJQORZBBTCY-SFHVURJKSA-N 0 1 298.434 3.828 20 0 CHADMN CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639779846 1129333378 /nfs/dbraw/zinc/33/33/78/1129333378.db2.gz AEWWDKPFRMNDCH-MRXNPFEDSA-N 0 1 285.391 3.534 20 0 CHADMN CC(C)Oc1ccccc1CN1CCC[C@@H]1c1cn[nH]c1 ZINC000639779846 1129333383 /nfs/dbraw/zinc/33/33/83/1129333383.db2.gz AEWWDKPFRMNDCH-MRXNPFEDSA-N 0 1 285.391 3.534 20 0 CHADMN Cc1noc(C)c1CCN1CC(C)(C)[C@@H]1c1ccco1 ZINC000639927668 1129340353 /nfs/dbraw/zinc/34/03/53/1129340353.db2.gz GOOMKDBDGLBLCD-HNNXBMFYSA-N 0 1 274.364 3.510 20 0 CHADMN CCc1ccc(COC(=O)c2cc(-c3ccco3)n[nH]2)cc1 ZINC000735341780 1129340927 /nfs/dbraw/zinc/34/09/27/1129340927.db2.gz PBLAUDSAQGZUOS-UHFFFAOYSA-N 0 1 296.326 3.589 20 0 CHADMN Cc1nc(CNCc2ccc(C)cc2C)sc1C ZINC000719627950 1129347111 /nfs/dbraw/zinc/34/71/11/1129347111.db2.gz YKXLGWQWXUPZGE-UHFFFAOYSA-N 0 1 260.406 3.667 20 0 CHADMN Cc1nnc(CN[C@@H]2CCC(C)(C)C[C@H]2c2ccccc2)o1 ZINC000640106145 1129348661 /nfs/dbraw/zinc/34/86/61/1129348661.db2.gz FJFIDZSZCWUSMI-JKSUJKDBSA-N 0 1 299.418 3.830 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@@H](C3CCC3)CC2)s1 ZINC000640106408 1129349455 /nfs/dbraw/zinc/34/94/55/1129349455.db2.gz POPRCZGKVIKYDK-BXUZGUMPSA-N 0 1 279.453 3.810 20 0 CHADMN CCc1cc(CCCN[C@H](CF)c2ccc(F)cc2)on1 ZINC000640154675 1129350938 /nfs/dbraw/zinc/35/09/38/1129350938.db2.gz KJNKCKYWQZSDEV-MRXNPFEDSA-N 0 1 294.345 3.609 20 0 CHADMN CCCCC[C@H](CC)[NH2+]CC(=O)c1ccc([O-])cc1 ZINC001258437150 1129354312 /nfs/dbraw/zinc/35/43/12/1129354312.db2.gz WUFXMHBUOFWPRA-AWEZNQCLSA-N 0 1 263.381 3.523 20 0 CHADMN O=C(OCc1ccc(Cl)cc1)c1c(F)cc(O)cc1F ZINC000735949749 1129361026 /nfs/dbraw/zinc/36/10/26/1129361026.db2.gz GTPNYEFANOCNDJ-UHFFFAOYSA-N 0 1 298.672 3.681 20 0 CHADMN CC[C@@H](C(=O)O[C@@H](C)c1cccc(C)c1)N(CC)CC ZINC000736025401 1129367438 /nfs/dbraw/zinc/36/74/38/1129367438.db2.gz VUDGRYXHHCRKHG-HOCLYGCPSA-N 0 1 277.408 3.720 20 0 CHADMN Cc1cccc([C@H](C)OC(=O)[C@H](C)N2CCCCCC2)c1 ZINC000736027752 1129368110 /nfs/dbraw/zinc/36/81/10/1129368110.db2.gz CXLULQMHJNHKRA-HOTGVXAUSA-N 0 1 289.419 3.864 20 0 CHADMN CC[C@@H](NCc1cn2cc(C)ccc2n1)c1cccs1 ZINC000178725972 1129376157 /nfs/dbraw/zinc/37/61/57/1129376157.db2.gz NUBDJIPCIZRQAS-CQSZACIVSA-N 0 1 285.416 3.945 20 0 CHADMN O[C@@H](C[C@@H]1CCCN1Cc1ccc(Cl)o1)c1ccco1 ZINC000091957527 1129376459 /nfs/dbraw/zinc/37/64/59/1129376459.db2.gz PCEKOULADHXRFI-AAEUAGOBSA-N 0 1 295.766 3.614 20 0 CHADMN CSc1ccc(CN[C@H]2CCc3c2cccc3F)o1 ZINC000641715087 1129388299 /nfs/dbraw/zinc/38/82/99/1129388299.db2.gz SZHNDKZLZIUCJI-AWEZNQCLSA-N 0 1 277.364 3.918 20 0 CHADMN CCCNc1ccc(CNCc2cc(C)ns2)cc1 ZINC000641750820 1129389548 /nfs/dbraw/zinc/38/95/48/1129389548.db2.gz NSTTWTDZTDDVHM-UHFFFAOYSA-N 0 1 275.421 3.563 20 0 CHADMN CCc1ncc(CN[C@@H](c2ccccc2)C2CCC2)o1 ZINC000641778582 1129391177 /nfs/dbraw/zinc/39/11/77/1129391177.db2.gz AFRVJPKUVCRAQW-KRWDZBQOSA-N 0 1 270.376 3.868 20 0 CHADMN CCN(CC(=O)Nc1ccc2ccccc2c1)C1CCC1 ZINC000738312318 1129393308 /nfs/dbraw/zinc/39/33/08/1129393308.db2.gz MTBIQVMQAFUDML-UHFFFAOYSA-N 0 1 282.387 3.653 20 0 CHADMN C[C@@H]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000641849238 1129394635 /nfs/dbraw/zinc/39/46/35/1129394635.db2.gz UDHWTGCEQBTOKV-GFCCVEGCSA-N 0 1 274.339 3.713 20 0 CHADMN C[C@H]1CCCCN1Cc1coc(-c2ccc(F)cc2)n1 ZINC000641849466 1129394798 /nfs/dbraw/zinc/39/47/98/1129394798.db2.gz APMWZWPSEWTDFF-LBPRGKRZSA-N 0 1 274.339 3.855 20 0 CHADMN FC(F)(F)CCSc1nnc(CCC2CCCC2)[nH]1 ZINC000641904094 1129397398 /nfs/dbraw/zinc/39/73/98/1129397398.db2.gz IMZAXAQVWMRGSY-UHFFFAOYSA-N 0 1 293.358 3.972 20 0 CHADMN FC(F)(F)CCSc1nc(CCC2CCCC2)n[nH]1 ZINC000641904094 1129397401 /nfs/dbraw/zinc/39/74/01/1129397401.db2.gz IMZAXAQVWMRGSY-UHFFFAOYSA-N 0 1 293.358 3.972 20 0 CHADMN CC[C@@H]1CCN1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000795649732 1129406310 /nfs/dbraw/zinc/40/63/10/1129406310.db2.gz QIHCHBBCFZAMAW-ZWNOBZJWSA-N 0 1 274.191 3.511 20 0 CHADMN C[C@@H]1CCC[C@@H](N(C)Cc2ncc(C(C)(C)C)o2)C1 ZINC000642189883 1129409540 /nfs/dbraw/zinc/40/95/40/1129409540.db2.gz ACEZFGKREGBUBD-CHWSQXEVSA-N 0 1 264.413 3.983 20 0 CHADMN O=C(c1c(O)cccc1Cl)N1CC2(CC2)c2ccccc21 ZINC000740128653 1129411101 /nfs/dbraw/zinc/41/11/01/1129411101.db2.gz RTNSUDVQJAYJSB-UHFFFAOYSA-N 0 1 299.757 3.738 20 0 CHADMN C[C@@H](c1ccccc1)N(C)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000642652814 1129422762 /nfs/dbraw/zinc/42/27/62/1129422762.db2.gz UBCAOBBTWCBGKS-LBPRGKRZSA-N 0 1 295.342 3.503 20 0 CHADMN Cc1nonc1CN(CC1CCC1)[C@@H](C)c1ccccc1 ZINC000740888276 1129422847 /nfs/dbraw/zinc/42/28/47/1129422847.db2.gz FDQLGXYTTLQEKN-AWEZNQCLSA-N 0 1 285.391 3.741 20 0 CHADMN Cc1nonc1CN(CC1CCC1)[C@H](C)c1ccccc1 ZINC000740888317 1129422952 /nfs/dbraw/zinc/42/29/52/1129422952.db2.gz FDQLGXYTTLQEKN-CQSZACIVSA-N 0 1 285.391 3.741 20 0 CHADMN Cc1ccccc1COC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000741011026 1129426067 /nfs/dbraw/zinc/42/60/67/1129426067.db2.gz OZFLUWIASUZZAN-KRWDZBQOSA-N 0 1 289.419 3.549 20 0 CHADMN C[C@H](C(=O)O[C@@H](C)c1ccccc1)N1[C@H](C)CC[C@@H]1C ZINC000741021772 1129426642 /nfs/dbraw/zinc/42/66/42/1129426642.db2.gz PKYDQNOXVQRIRR-BARDWOONSA-N 0 1 275.392 3.552 20 0 CHADMN Cc1ccc(C)c(COC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)c1 ZINC000741023428 1129426935 /nfs/dbraw/zinc/42/69/35/1129426935.db2.gz MOBNDCVTNPKKGL-XHSDSOJGSA-N 0 1 289.419 3.608 20 0 CHADMN Cc1n[nH]c(C2CC2)c1-c1nc(-c2cc(C)cc(F)c2)no1 ZINC001212958858 1129430042 /nfs/dbraw/zinc/43/00/42/1129430042.db2.gz LJRKRRGIEWDXFG-UHFFFAOYSA-N 0 1 298.321 3.760 20 0 CHADMN Cc1n[nH]c(C2CC2)c1-c1nc(-c2ccc(C)cc2C)no1 ZINC001212959051 1129431454 /nfs/dbraw/zinc/43/14/54/1129431454.db2.gz PNRITFSEMRLEIE-UHFFFAOYSA-N 0 1 294.358 3.929 20 0 CHADMN CCc1ccc(-c2noc(-c3c(C)n[nH]c3C3CC3)n2)cc1 ZINC001212959593 1129434191 /nfs/dbraw/zinc/43/41/91/1129434191.db2.gz RXOHEPSDEJGICO-UHFFFAOYSA-N 0 1 294.358 3.875 20 0 CHADMN O=C(CCCC1CC1)Nc1cc(F)cc(Cl)c1O ZINC000643245003 1129434389 /nfs/dbraw/zinc/43/43/89/1129434389.db2.gz VZADWGRKERSYEI-UHFFFAOYSA-N 0 1 271.719 3.704 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3c2cc(F)cc3F)cc(C)n1 ZINC000643274069 1129434721 /nfs/dbraw/zinc/43/47/21/1129434721.db2.gz ZTYNHZOCOBAUBS-QGZVFWFLSA-N 0 1 288.341 3.754 20 0 CHADMN CO[C@]1(C(F)(F)F)CCCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000643378114 1129440771 /nfs/dbraw/zinc/44/07/71/1129440771.db2.gz JOUMKPYZTXVBHA-RBSFLKMASA-N 0 1 299.336 3.586 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000094525530 1129446848 /nfs/dbraw/zinc/44/68/48/1129446848.db2.gz NDTBVRPIBUHVDR-QGZVFWFLSA-N 0 1 287.403 3.783 20 0 CHADMN CN(CCC1CCCC1)CC(=O)Nc1ccccc1Cl ZINC000741775591 1129451849 /nfs/dbraw/zinc/45/18/49/1129451849.db2.gz UYCXLCJRCBWHQV-UHFFFAOYSA-N 0 1 294.826 3.791 20 0 CHADMN C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000795917994 1129456545 /nfs/dbraw/zinc/45/65/45/1129456545.db2.gz KIZZYEMMCCZDQW-RDTXWAMCSA-N 0 1 299.389 3.869 20 0 CHADMN COC(=O)c1ccc(Nc2ccc3[nH]c(C)nc3c2)c(C)c1 ZINC001213073088 1129461617 /nfs/dbraw/zinc/46/16/17/1129461617.db2.gz CZOPQNPLXWBMOA-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN COc1cccnc1CN(Cc1ccccc1)C(C)C ZINC001206611009 1129462871 /nfs/dbraw/zinc/46/28/71/1129462871.db2.gz PXBPRFQOZWVKCM-UHFFFAOYSA-N 0 1 270.376 3.501 20 0 CHADMN CCCCCC[C@H](C)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000742064004 1129467172 /nfs/dbraw/zinc/46/71/72/1129467172.db2.gz OXFBNJNOULEWMV-NSHDSACASA-N 0 1 290.367 3.610 20 0 CHADMN Cc1cccc(F)c1CNCc1ccc(-n2ccnc2)cc1 ZINC000742381611 1129472948 /nfs/dbraw/zinc/47/29/48/1129472948.db2.gz ZELXKJJVLNUMDO-UHFFFAOYSA-N 0 1 295.361 3.610 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@@H]2c2ccc(O)cc2)o1 ZINC000644673706 1129474442 /nfs/dbraw/zinc/47/44/42/1129474442.db2.gz NTZNYZFISIULIO-OAHLLOKOSA-N 0 1 286.375 3.588 20 0 CHADMN Fc1cccc(F)c1CN1CCC(C2CC2)CC1 ZINC000644719993 1129477453 /nfs/dbraw/zinc/47/74/53/1129477453.db2.gz JQGVHIHLAAJYTB-UHFFFAOYSA-N 0 1 251.320 3.587 20 0 CHADMN CCCCCOc1ccc(CN[C@@H](C)CF)cc1 ZINC000644891966 1129479493 /nfs/dbraw/zinc/47/94/93/1129479493.db2.gz MMJJRZDRHAMHPX-ZDUSSCGKSA-N 0 1 253.361 3.703 20 0 CHADMN Cc1nc(C(C)C)ccc1CN[C@](C)(CO)c1ccccc1 ZINC000645086001 1129487226 /nfs/dbraw/zinc/48/72/26/1129487226.db2.gz RZAWCONIUKKOCH-LJQANCHMSA-N 0 1 298.430 3.511 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1Cl)N1CCCOCC1 ZINC001258678826 1129495472 /nfs/dbraw/zinc/49/54/72/1129495472.db2.gz UCOHIGQNEVNJIL-LLVKDONJSA-N 0 1 288.218 3.647 20 0 CHADMN c1csc([C@@H](Nc2ccc(C3CC3)cc2)c2nnc[nH]2)c1 ZINC000645441585 1129498005 /nfs/dbraw/zinc/49/80/05/1129498005.db2.gz WYHFARXKGFETFP-OAHLLOKOSA-N 0 1 296.399 3.945 20 0 CHADMN Fc1cccc(F)c1CCN1CCC[C@@H]1c1ccc[nH]1 ZINC000645819886 1129508134 /nfs/dbraw/zinc/50/81/34/1129508134.db2.gz NHFXNMWFYDHZSS-MRXNPFEDSA-N 0 1 276.330 3.673 20 0 CHADMN COC(=O)c1cc2ccc(-c3c(C)cc(C)cc3C)[nH]c-2n1 ZINC001239547552 1131378739 /nfs/dbraw/zinc/37/87/39/1131378739.db2.gz KOLTYJWRJFGFJE-UHFFFAOYSA-N 0 1 294.354 3.942 20 0 CHADMN Cc1cc(CN2CCC[C@]2(C)Cc2ccccc2F)no1 ZINC000646013675 1129517510 /nfs/dbraw/zinc/51/75/10/1129517510.db2.gz NUCQANTVEYHSQI-QGZVFWFLSA-N 0 1 288.366 3.719 20 0 CHADMN Cc1ncsc1CNC1(c2ccccc2F)CCC1 ZINC000646024067 1129518142 /nfs/dbraw/zinc/51/81/42/1129518142.db2.gz PPAGDYXBOYHJNF-UHFFFAOYSA-N 0 1 276.380 3.760 20 0 CHADMN Cc1cccc(C)c1CN[C@@H](CCO)c1ccccc1F ZINC000646068120 1129520411 /nfs/dbraw/zinc/52/04/11/1129520411.db2.gz KHOIFEGPDBLLEF-SFHVURJKSA-N 0 1 287.378 3.656 20 0 CHADMN CCC[C@@]1(C)CCCN(Cn2cnc(-c3ccccc3)n2)C1 ZINC000743406522 1129522948 /nfs/dbraw/zinc/52/29/48/1129522948.db2.gz MJCJZXJONLOOJM-SFHVURJKSA-N 0 1 298.434 3.805 20 0 CHADMN Cc1ncc2c(n1)CCC[C@H]2N[C@@H](C)c1cccc(F)c1 ZINC000743477745 1129527176 /nfs/dbraw/zinc/52/71/76/1129527176.db2.gz UWCMHLNAWDXQIU-MEDUHNTESA-N 0 1 285.366 3.652 20 0 CHADMN COc1ccc(CN(C)Cc2cc(C)cc(Cl)c2)cn1 ZINC000646159747 1129527203 /nfs/dbraw/zinc/52/72/03/1129527203.db2.gz KTHXXLMSAGXAGB-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN CC(C)C1CN(Cc2ccc(Sc3ccccn3)o2)C1 ZINC000646182031 1129527823 /nfs/dbraw/zinc/52/78/23/1129527823.db2.gz YXRDWFRXHDKOHI-UHFFFAOYSA-N 0 1 288.416 3.914 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1Cl ZINC000646204571 1129528775 /nfs/dbraw/zinc/52/87/75/1129528775.db2.gz YRYSXUYCJIXBJG-GFCCVEGCSA-N 0 1 265.784 3.668 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@@H](C3CC3)C2)c1Cl ZINC000646204571 1129528778 /nfs/dbraw/zinc/52/87/78/1129528778.db2.gz YRYSXUYCJIXBJG-GFCCVEGCSA-N 0 1 265.784 3.668 20 0 CHADMN Clc1cscc1CN1CC2(CCOCC2)[C@H]1C1CC1 ZINC000646270301 1129530470 /nfs/dbraw/zinc/53/04/70/1129530470.db2.gz MCNKEAMSSOQSKU-CQSZACIVSA-N 0 1 297.851 3.793 20 0 CHADMN C[C@H](CN1C[C@@]2(CCCO2)[C@@H]1C1CC1)c1ccc(F)cc1 ZINC000646295660 1129531755 /nfs/dbraw/zinc/53/17/55/1129531755.db2.gz NSUZUKGEIUBPJY-BVGQSLNGSA-N 0 1 289.394 3.573 20 0 CHADMN CC(C)n1cncc1CN1Cc2ccccc2[C@H](C)C1 ZINC000822443176 1131380473 /nfs/dbraw/zinc/38/04/73/1131380473.db2.gz QPPSEKWAAGWZFM-CQSZACIVSA-N 0 1 269.392 3.583 20 0 CHADMN CC[C@]1(C)CCCN(C[C@H](O)c2cc(F)ccc2F)C1 ZINC000743860827 1129541277 /nfs/dbraw/zinc/54/12/77/1129541277.db2.gz WGLAUFOCDOQXCD-JKSUJKDBSA-N 0 1 283.362 3.510 20 0 CHADMN CCC[C@]1(C)CCCN(C[C@H](O)c2c(F)cccc2F)C1 ZINC000743872643 1129542534 /nfs/dbraw/zinc/54/25/34/1129542534.db2.gz WVDQNGCIIVHHHG-DOTOQJQBSA-N 0 1 297.389 3.900 20 0 CHADMN CCC[C@H](CC1CCCC1)c1nc([C@H]2CCCN2)no1 ZINC000647149938 1129551646 /nfs/dbraw/zinc/55/16/46/1129551646.db2.gz WGOUIFGJHWBPKK-ZIAGYGMSSA-N 0 1 277.412 3.958 20 0 CHADMN CCCc1ccc(CCCc2nc([C@@H]3CCCN3)no2)cc1 ZINC000647144361 1129551723 /nfs/dbraw/zinc/55/17/23/1129551723.db2.gz VIXDEJVWNSPNOE-INIZCTEOSA-N 0 1 299.418 3.622 20 0 CHADMN Cc1ccc(-c2nc([C@H]3CCCN3)no2)c(Cl)c1Cl ZINC000647144844 1129551819 /nfs/dbraw/zinc/55/18/19/1129551819.db2.gz HAKSZXSEIMRNGK-SECBINFHSA-N 0 1 298.173 3.776 20 0 CHADMN COc1c(F)ccc(-c2nccc3c2CCN3)c1Cl ZINC001241497671 1129554841 /nfs/dbraw/zinc/55/48/41/1129554841.db2.gz ACJWKVAERJSOPV-UHFFFAOYSA-N 0 1 278.714 3.518 20 0 CHADMN Cc1ccccc1C1(N[C@H](C)c2cncc(F)c2)CC1 ZINC000647224465 1129558213 /nfs/dbraw/zinc/55/82/13/1129558213.db2.gz JCJTVIDNLSTYKB-CYBMUJFWSA-N 0 1 270.351 3.869 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccccc21)c1cc2n(n1)CCCC2 ZINC000647281523 1129563228 /nfs/dbraw/zinc/56/32/28/1129563228.db2.gz TWXMPQJEFKFVSN-SUMWQHHRSA-N 0 1 281.403 3.558 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2cc3n(n2)CCCC3)cc1 ZINC000647283550 1129564048 /nfs/dbraw/zinc/56/40/48/1129564048.db2.gz DTNUEGGBHLEKOX-CABCVRRESA-N 0 1 283.419 3.940 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647299775 1129566391 /nfs/dbraw/zinc/56/63/91/1129566391.db2.gz DXLGSASDIAGFQD-QWRGUYRKSA-N 0 1 289.345 3.601 20 0 CHADMN Cc1[nH]ncc1[C@@H](C)Nc1cnn([C@@H](C)c2ccccc2)c1 ZINC000647328662 1129568697 /nfs/dbraw/zinc/56/86/97/1129568697.db2.gz XAGYZXRTWFUPNA-OCCSQVGLSA-N 0 1 295.390 3.697 20 0 CHADMN CC[C@H](C)C[C@@H](CO)N[C@@H](c1ccccc1)c1ccccn1 ZINC000647337996 1129571258 /nfs/dbraw/zinc/57/12/58/1129571258.db2.gz YMZKHXOBEYMCPB-IEZWGBDMSA-N 0 1 298.430 3.558 20 0 CHADMN OCC[C@@H](N[C@@H]1CCc2ccccc21)c1ccccc1F ZINC000647346572 1129572964 /nfs/dbraw/zinc/57/29/64/1129572964.db2.gz XWBHUFLTQINVNL-QZTJIDSGSA-N 0 1 285.362 3.526 20 0 CHADMN CCC(C)(C)CCOC(=O)c1cccc2[nH]ncc21 ZINC000744341879 1129573240 /nfs/dbraw/zinc/57/32/40/1129573240.db2.gz ZOTHRAYJIFNGGB-UHFFFAOYSA-N 0 1 260.337 3.546 20 0 CHADMN FC1CCC(CN[C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000647350020 1129573316 /nfs/dbraw/zinc/57/33/16/1129573316.db2.gz QUOCLDOIHWLZNI-AVVWSFFYSA-N 0 1 287.382 3.617 20 0 CHADMN C[C@H](N(C)Cc1nnc(-c2cccc(F)c2)o1)C(C)(C)C ZINC000744386128 1129576264 /nfs/dbraw/zinc/57/62/64/1129576264.db2.gz CKLJEJZNXMRHNQ-NSHDSACASA-N 0 1 291.370 3.742 20 0 CHADMN Cc1ccc(Cl)cc1N(C)C(=O)c1cccc2nc[nH]c21 ZINC000647424217 1129577058 /nfs/dbraw/zinc/57/70/58/1129577058.db2.gz KOHPLBMIMDZBHD-UHFFFAOYSA-N 0 1 299.761 3.801 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)CN(CC)C2CC2)cc1 ZINC000097205689 1129587906 /nfs/dbraw/zinc/58/79/06/1129587906.db2.gz DGAGZKXLRUIYCC-ZDUSSCGKSA-N 0 1 274.408 3.623 20 0 CHADMN Cc1nnsc1CNC(C)(C)c1cccc(Cl)c1 ZINC000647970235 1129590266 /nfs/dbraw/zinc/59/02/66/1129590266.db2.gz IDPOHMBLNXLHNE-UHFFFAOYSA-N 0 1 281.812 3.525 20 0 CHADMN Cc1nc2ccc(Nc3nccnc3C(C)C)cc2[nH]1 ZINC001213073141 1129590395 /nfs/dbraw/zinc/59/03/95/1129590395.db2.gz GJAKQXLURYMHNO-UHFFFAOYSA-N 0 1 267.336 3.528 20 0 CHADMN Cc1cc(C)c(-c2ccc(CN(C)C)cn2)cc1C ZINC001241626504 1129590938 /nfs/dbraw/zinc/59/09/38/1129590938.db2.gz UVWMPABJGDTZOW-UHFFFAOYSA-N 0 1 254.377 3.735 20 0 CHADMN CC(C)Cn1nccc1CN1CCC[C@@H]1c1ccccc1 ZINC000648000372 1129591025 /nfs/dbraw/zinc/59/10/25/1129591025.db2.gz FXBHKSNGEKOKQO-GOSISDBHSA-N 0 1 283.419 3.876 20 0 CHADMN CC1(CC(F)F)CN(Cc2cccc3cccnc32)C1 ZINC000648058521 1129595090 /nfs/dbraw/zinc/59/50/90/1129595090.db2.gz ONXBXJGYBFHLRV-UHFFFAOYSA-N 0 1 276.330 3.712 20 0 CHADMN CC(C)[C@@H]1N(Cc2nc3c(s2)CCC3)CC12CC=CC2 ZINC000648072529 1129595779 /nfs/dbraw/zinc/59/57/79/1129595779.db2.gz HLOPTUDTLSLQPR-INIZCTEOSA-N 0 1 288.460 3.808 20 0 CHADMN Cc1nn(C)cc1[C@H]1CCCN1Cc1cccc(C)c1F ZINC000648383690 1129604750 /nfs/dbraw/zinc/60/47/50/1129604750.db2.gz ZOWHPJBHYGODAE-MRXNPFEDSA-N 0 1 287.382 3.513 20 0 CHADMN CC(C)CCn1cccc1CNCc1ccc(Cl)cn1 ZINC000182687213 1129608705 /nfs/dbraw/zinc/60/87/05/1129608705.db2.gz SIIPPZXODYPWLC-UHFFFAOYSA-N 0 1 291.826 3.872 20 0 CHADMN CC(C)(N[C@H]1CCCc2ccccc2C1)C(F)F ZINC000648563114 1129614225 /nfs/dbraw/zinc/61/42/25/1129614225.db2.gz RPUATMVKYVRPMW-ZDUSSCGKSA-N 0 1 253.336 3.567 20 0 CHADMN Fc1ccc(C2CC2)cc1CNCc1cnc2ccccn12 ZINC000648635464 1129616865 /nfs/dbraw/zinc/61/68/65/1129616865.db2.gz SQIKKDXWGBWTHZ-UHFFFAOYSA-N 0 1 295.361 3.641 20 0 CHADMN CCC[C@H](OC)c1noc([C@@H]2CC[C@H]3CCCC[C@H]3N2)n1 ZINC000253170530 1129617123 /nfs/dbraw/zinc/61/71/23/1129617123.db2.gz GUWMDGVKVAZJMT-MQYQWHSLSA-N 0 1 293.411 3.541 20 0 CHADMN CCCCCN(CCCOC)Cc1noc2c1CCCC2 ZINC000183290406 1129622529 /nfs/dbraw/zinc/62/25/29/1129622529.db2.gz DIISMZZCSBUBAM-UHFFFAOYSA-N 0 1 294.439 3.582 20 0 CHADMN CC(C)CN(Cc1ccccc1)Cn1cccnc1=S ZINC000746062189 1129623622 /nfs/dbraw/zinc/62/36/22/1129623622.db2.gz WHKQHJLOCBCDON-UHFFFAOYSA-N 0 1 287.432 3.728 20 0 CHADMN Cc1ccoc1CNC[C@@H](O)c1cc2ccccc2s1 ZINC000305073740 1129625627 /nfs/dbraw/zinc/62/56/27/1129625627.db2.gz USCGPNBKCYLATE-CYBMUJFWSA-N 0 1 287.384 3.626 20 0 CHADMN CCCN(CC)CC(=O)Nc1ccc2ccccc2c1 ZINC000746107247 1129626207 /nfs/dbraw/zinc/62/62/07/1129626207.db2.gz BMGUVQPMGQFULV-UHFFFAOYSA-N 0 1 270.376 3.510 20 0 CHADMN CC(C)CC(=O)CCN1CCC(CC(F)(F)F)CC1 ZINC000828477665 1131386661 /nfs/dbraw/zinc/38/66/61/1131386661.db2.gz OQZGJXRSQDJMDC-UHFFFAOYSA-N 0 1 279.346 3.656 20 0 CHADMN CC(C)(c1ccccc1)C1(NCc2nccs2)CC1 ZINC000648835034 1129627099 /nfs/dbraw/zinc/62/70/99/1129627099.db2.gz YWLRZHSYAJNAQV-UHFFFAOYSA-N 0 1 272.417 3.743 20 0 CHADMN CCN(CCc1ccccn1)[C@H](C)c1c(F)cccc1F ZINC000746143146 1129627912 /nfs/dbraw/zinc/62/79/12/1129627912.db2.gz COULVDOCROAUBM-CYBMUJFWSA-N 0 1 290.357 3.985 20 0 CHADMN FC(F)(F)[C@@H]1CCCN(CC[C@H]2CC2(Cl)Cl)C1 ZINC000822564468 1131386866 /nfs/dbraw/zinc/38/68/66/1131386866.db2.gz FVBKMRROAQRINY-DTWKUNHWSA-N 0 1 290.156 3.845 20 0 CHADMN FC1(F)C[C@@]12CCN(Cc1sccc1Cl)C2 ZINC000649908227 1129686400 /nfs/dbraw/zinc/68/64/00/1129686400.db2.gz JZLDZLQCVKPSND-SNVBAGLBSA-N 0 1 263.740 3.633 20 0 CHADMN CN(CCC(C)(C)C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000649026078 1129632374 /nfs/dbraw/zinc/63/23/74/1129632374.db2.gz BWHQBEIJTBLFKD-UHFFFAOYSA-N 0 1 285.391 3.585 20 0 CHADMN C[C@@H](NCc1nc(C2CC2)no1)[C@@H](C)C1CCCCC1 ZINC000185501615 1129632785 /nfs/dbraw/zinc/63/27/85/1129632785.db2.gz QAYYSLDROCAUCI-VXGBXAGGSA-N 0 1 277.412 3.642 20 0 CHADMN Cc1cc(C)cc([C@H](O)CN(C)Cc2ccccc2F)c1 ZINC000097986997 1129634231 /nfs/dbraw/zinc/63/42/31/1129634231.db2.gz PWELPRRIHXOZQZ-GOSISDBHSA-N 0 1 287.378 3.608 20 0 CHADMN Fc1ccc(CN2CC[C@H]3CCC[C@@H]32)c(Br)c1 ZINC000378763018 1129634414 /nfs/dbraw/zinc/63/44/14/1129634414.db2.gz KJBWLVIJNGGMCD-YGRLFVJLSA-N 0 1 298.199 3.963 20 0 CHADMN CCSc1cc(CN[C@@H](C)c2cnc(C)s2)ccn1 ZINC000187798284 1129636765 /nfs/dbraw/zinc/63/67/65/1129636765.db2.gz HFAVPQGAPZBXQB-JTQLQIEISA-N 0 1 293.461 3.809 20 0 CHADMN CCC(=O)CCCN1CCS[C@@H](c2ccccc2)C1 ZINC000649317033 1129640915 /nfs/dbraw/zinc/64/09/15/1129640915.db2.gz XPESZGPHKQAAGC-MRXNPFEDSA-N 0 1 277.433 3.536 20 0 CHADMN CCCOc1cccc(CN2CC[C@@H](C(F)(F)F)C2)c1 ZINC000649399909 1129642843 /nfs/dbraw/zinc/64/28/43/1129642843.db2.gz PYPQQMYHGWNATR-CYBMUJFWSA-N 0 1 287.325 3.860 20 0 CHADMN CCOC1CCN(Cc2ccc(C)c(Cl)c2)CC1 ZINC000193718935 1129645571 /nfs/dbraw/zinc/64/55/71/1129645571.db2.gz MXURHMFKGXTEIL-UHFFFAOYSA-N 0 1 267.800 3.649 20 0 CHADMN CC(C)OCc1cccc(-c2ccc3nc(CO)[nH]c3c2)c1 ZINC000649434634 1129648115 /nfs/dbraw/zinc/64/81/15/1129648115.db2.gz SVDCZGKAMNVVBU-UHFFFAOYSA-N 0 1 296.370 3.647 20 0 CHADMN c1c(CN2CCCCC[C@H]2c2ccccc2)nn2c1CCC2 ZINC000649489894 1129653669 /nfs/dbraw/zinc/65/36/69/1129653669.db2.gz LGOFBXXAWNROEF-IBGZPJMESA-N 0 1 295.430 3.947 20 0 CHADMN CC(C)(C)CN(Cc1cc2n(n1)CCC2)Cc1ccccc1 ZINC000649509109 1129654809 /nfs/dbraw/zinc/65/48/09/1129654809.db2.gz ONZLECNDZSWWRZ-UHFFFAOYSA-N 0 1 297.446 3.878 20 0 CHADMN Cc1ccc(C)c([C@@H]2CCCN2Cc2cc3n(n2)CCC3)c1 ZINC000649552168 1129657371 /nfs/dbraw/zinc/65/73/71/1129657371.db2.gz ZGWYSKXJVDYDJT-IBGZPJMESA-N 0 1 295.430 3.783 20 0 CHADMN CC(C)(C)N(Cc1cc2n(n1)CCC2)Cc1ccccc1 ZINC000649552170 1129657415 /nfs/dbraw/zinc/65/74/15/1129657415.db2.gz ZGYXSXIFNJMPJU-UHFFFAOYSA-N 0 1 283.419 3.630 20 0 CHADMN C[C@H]1CC[C@H](c2ccccc2)N(Cc2cc3n(n2)CCC3)C1 ZINC000649610578 1129663321 /nfs/dbraw/zinc/66/33/21/1129663321.db2.gz VNIBTTZXCBCVMV-HNAYVOBHSA-N 0 1 295.430 3.803 20 0 CHADMN Fc1ccc(-n2ccc(CN3CCC34CCCC4)n2)cc1 ZINC000649656614 1129666909 /nfs/dbraw/zinc/66/69/09/1129666909.db2.gz VJSYDMTXDZRRCY-UHFFFAOYSA-N 0 1 285.366 3.530 20 0 CHADMN C[C@@]1(c2cccc(F)c2)CCN(Cc2cncc(F)c2)C1 ZINC000649662208 1129667556 /nfs/dbraw/zinc/66/75/56/1129667556.db2.gz ZJMOGPZAVYSOKS-QGZVFWFLSA-N 0 1 288.341 3.523 20 0 CHADMN Cc1ccc(C(C)(C)Nc2nc(C)cc(N(C)C)n2)cc1 ZINC001168800552 1129672957 /nfs/dbraw/zinc/67/29/57/1129672957.db2.gz VUNRIYVFXMJBSQ-UHFFFAOYSA-N 0 1 284.407 3.507 20 0 CHADMN CC[C@@H]1CO[C@@H](CC)CN1Cc1cnc2ccccc2c1 ZINC000649718665 1129673085 /nfs/dbraw/zinc/67/30/85/1129673085.db2.gz DIVWWJJYNQOERP-SJORKVTESA-N 0 1 284.403 3.624 20 0 CHADMN CC[C@@H]1COC(C)(C)CN1Cc1cnc2ccccc2c1 ZINC000649717278 1129673157 /nfs/dbraw/zinc/67/31/57/1129673157.db2.gz ASZIYKNLVPCBBV-MRXNPFEDSA-N 0 1 284.403 3.624 20 0 CHADMN Cc1ccc([C@@H](C)Nc2nc(C)cc3cc[nH]c32)nc1 ZINC001168849522 1129679611 /nfs/dbraw/zinc/67/96/11/1129679611.db2.gz ADDRLEBVEJQCJI-GFCCVEGCSA-N 0 1 266.348 3.748 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CCc3ccccc3[C@@H](C)C2)n1 ZINC000649833113 1129680494 /nfs/dbraw/zinc/68/04/94/1129680494.db2.gz FLFFDCIJGFRBQG-UONOGXRCSA-N 0 1 299.418 3.916 20 0 CHADMN CCc1nnc(CN2CCC[C@]2(C)CC(C)C)s1 ZINC000649829050 1129680770 /nfs/dbraw/zinc/68/07/70/1129680770.db2.gz FLOYAMISDAOGJV-CQSZACIVSA-N 0 1 267.442 3.501 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CCc2ccccc2[C@H](C)C1 ZINC000649832984 1129680956 /nfs/dbraw/zinc/68/09/56/1129680956.db2.gz AVPFSHOCQDMGKL-OLZOCXBDSA-N 0 1 297.402 3.670 20 0 CHADMN CCOc1ccc(-c2ccc(CN(C)C)c(F)c2)cc1 ZINC001239566331 1131390306 /nfs/dbraw/zinc/39/03/06/1131390306.db2.gz XDDRZIPHQIAMCK-UHFFFAOYSA-N 0 1 273.351 3.953 20 0 CHADMN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCCC1CCC1 ZINC001168919142 1129683575 /nfs/dbraw/zinc/68/35/75/1129683575.db2.gz WHJOKVVPOHRSJK-CQSZACIVSA-N 0 1 296.455 3.508 20 0 CHADMN Cc1cnc(CN2CCc3ccc(F)cc3[C@@H](C)C2)s1 ZINC000649894727 1129684429 /nfs/dbraw/zinc/68/44/29/1129684429.db2.gz SLKWLHPSUNBOIM-NSHDSACASA-N 0 1 290.407 3.752 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CC[C@]2(CC2(F)F)C1 ZINC000649903572 1129685077 /nfs/dbraw/zinc/68/50/77/1129685077.db2.gz QLXQDZRMKREWRF-RNCFNFMXSA-N 0 1 273.273 3.757 20 0 CHADMN CCCCOC(=O)[C@@H](C)N(CCC)CCc1cccs1 ZINC001169033142 1129690460 /nfs/dbraw/zinc/69/04/60/1129690460.db2.gz OZAFIYNHGNFLIR-CQSZACIVSA-N 0 1 297.464 3.734 20 0 CHADMN Cc1noc(C2(N[C@@H](Cc3ccccc3)CC(C)C)CC2)n1 ZINC001169068839 1129694719 /nfs/dbraw/zinc/69/47/19/1129694719.db2.gz XDDGJJAPAUQXII-MRXNPFEDSA-N 0 1 299.418 3.614 20 0 CHADMN COC(=O)[C@@H](c1ccccc1C)N1CC[C@H](C)C(C)(C)C1 ZINC001169092546 1129700391 /nfs/dbraw/zinc/70/03/91/1129700391.db2.gz UNEYDOATYDLAKP-GOEBONIOSA-N 0 1 289.419 3.577 20 0 CHADMN Cc1cc2cc[nH]c2c(N[C@H]2CCCC(F)(F)C2)n1 ZINC001169214360 1129708560 /nfs/dbraw/zinc/70/85/60/1129708560.db2.gz BDIWHPCWIHXVHY-NSHDSACASA-N 0 1 265.307 3.861 20 0 CHADMN Cc1ccnc(CCNc2nccc3cc(C)ccc32)c1 ZINC001169316091 1129716902 /nfs/dbraw/zinc/71/69/02/1129716902.db2.gz QCSAETAAZJYJJV-UHFFFAOYSA-N 0 1 277.371 3.901 20 0 CHADMN C[C@H]1C[C@H](Nc2ccc3nc[nH]c3n2)c2ccccc21 ZINC001169366998 1129720675 /nfs/dbraw/zinc/72/06/75/1129720675.db2.gz ZGMMSSSGRVOPCS-HZMBPMFUSA-N 0 1 264.332 3.618 20 0 CHADMN C[C@@H]1C[C@H](Nc2ccnc3[nH]cnc32)c2ccccc21 ZINC001169379903 1129723284 /nfs/dbraw/zinc/72/32/84/1129723284.db2.gz OMDOYKMIIAFDPA-YGRLFVJLSA-N 0 1 264.332 3.618 20 0 CHADMN C[C@@H]1CCCCN(CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC001169394900 1129725099 /nfs/dbraw/zinc/72/50/99/1129725099.db2.gz APAXCHMOBYCBMN-LLVKDONJSA-N 0 1 298.789 3.540 20 0 CHADMN CCCCCC[C@@H](CC)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000766694501 1129726105 /nfs/dbraw/zinc/72/61/05/1129726105.db2.gz YCHOOMJJHGSPJA-HIFRSBDPSA-N 0 1 291.439 3.900 20 0 CHADMN CCOC(=O)[C@@H](CC)N(CC)C[C@H](CC)c1ccccc1 ZINC001169483787 1129728551 /nfs/dbraw/zinc/72/85/51/1129728551.db2.gz VCMMOGQKCJKWJF-DOTOQJQBSA-N 0 1 291.435 3.844 20 0 CHADMN Cc1ccc2c(ccnc2N[C@@H](C)c2cnccn2)c1 ZINC001169512793 1129731642 /nfs/dbraw/zinc/73/16/42/1129731642.db2.gz BLJXWTAGAHFQIX-LBPRGKRZSA-N 0 1 264.332 3.506 20 0 CHADMN CCC(C)(C)[C@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000651303818 1129736933 /nfs/dbraw/zinc/73/69/33/1129736933.db2.gz IYURAKOOPZOAPS-LBPRGKRZSA-N 0 1 258.369 3.504 20 0 CHADMN c1nc2ccc(NCCc3coc4ccccc34)cc2[nH]1 ZINC001169598752 1129739596 /nfs/dbraw/zinc/73/95/96/1129739596.db2.gz UBVWBKJYUQLGGU-UHFFFAOYSA-N 0 1 277.327 3.964 20 0 CHADMN Cc1cc(C)nc(C[N@@H+](C)CCCOCc2ccccc2)c1 ZINC001169657885 1129745215 /nfs/dbraw/zinc/74/52/15/1129745215.db2.gz ZBANXYSTHWGYIH-UHFFFAOYSA-N 0 1 298.430 3.737 20 0 CHADMN COC[C@H](CC(C)(C)C)N[C@H](C)c1ncc(C)s1 ZINC000651729447 1129745995 /nfs/dbraw/zinc/74/59/95/1129745995.db2.gz FPPJODMTQBYTLF-NEPJUHHUSA-N 0 1 270.442 3.553 20 0 CHADMN COC[C@H](CC(C)(C)C)NCc1nc(C2CC2)cs1 ZINC000651739031 1129746733 /nfs/dbraw/zinc/74/67/33/1129746733.db2.gz HBBORFLKLXRGSW-LBPRGKRZSA-N 0 1 282.453 3.561 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cc2cnccc2o1 ZINC000651747663 1129746849 /nfs/dbraw/zinc/74/68/49/1129746849.db2.gz MQFCJRKVBOOLAG-LBPRGKRZSA-N 0 1 281.359 3.636 20 0 CHADMN C[C@H]1CCCCC[C@H]1NC1(c2noc(C(F)F)n2)CCC1 ZINC000651815857 1129749206 /nfs/dbraw/zinc/74/92/06/1129749206.db2.gz PMRDOLSYIIGQNR-WDEREUQCSA-N 0 1 299.365 3.945 20 0 CHADMN Cc1cc(CN[C@H]2CCc3ccc(F)c(Cl)c32)ccn1 ZINC000651819291 1129749735 /nfs/dbraw/zinc/74/97/35/1129749735.db2.gz VRHUOHKPTVTJSX-AWEZNQCLSA-N 0 1 290.769 3.960 20 0 CHADMN COc1cccc(CN2CCC23CCCC3)c1OC(F)F ZINC000651873953 1129750907 /nfs/dbraw/zinc/75/09/07/1129750907.db2.gz DJCISNHKJQCKDG-UHFFFAOYSA-N 0 1 297.345 3.815 20 0 CHADMN COc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)nc1 ZINC000766805275 1129753570 /nfs/dbraw/zinc/75/35/70/1129753570.db2.gz DSCQAJQHYKDMNU-MRXNPFEDSA-N 0 1 288.778 3.521 20 0 CHADMN C[C@H](COCC1CC1)NCc1cc(Cl)sc1Cl ZINC000651984235 1129755766 /nfs/dbraw/zinc/75/57/66/1129755766.db2.gz XINHXWHOAJBOHJ-MRVPVSSYSA-N 0 1 294.247 3.960 20 0 CHADMN Cc1cc2cc[nH]c2c(N[C@@H]2C[C@H]2c2ccccc2)n1 ZINC001169810505 1129757743 /nfs/dbraw/zinc/75/77/43/1129757743.db2.gz KDCBAULABXEKPX-LSDHHAIUSA-N 0 1 263.344 3.839 20 0 CHADMN CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC(C)=C(C)C1 ZINC001169834674 1129760010 /nfs/dbraw/zinc/76/00/10/1129760010.db2.gz YFCBCQCITCOSFY-QGZVFWFLSA-N 0 1 286.419 3.754 20 0 CHADMN CC[C@H](C(=O)Nc1ccc(C)cc1)N1CCC(C)=C(C)C1 ZINC001169834674 1129760013 /nfs/dbraw/zinc/76/00/13/1129760013.db2.gz YFCBCQCITCOSFY-QGZVFWFLSA-N 0 1 286.419 3.754 20 0 CHADMN CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC(C)=C(C)C1 ZINC001169834673 1129760224 /nfs/dbraw/zinc/76/02/24/1129760224.db2.gz YFCBCQCITCOSFY-KRWDZBQOSA-N 0 1 286.419 3.754 20 0 CHADMN CC[C@@H](C(=O)Nc1ccc(C)cc1)N1CCC(C)=C(C)C1 ZINC001169834673 1129760225 /nfs/dbraw/zinc/76/02/25/1129760225.db2.gz YFCBCQCITCOSFY-KRWDZBQOSA-N 0 1 286.419 3.754 20 0 CHADMN COc1ccc(-c2cc3[nH]ccc3c(C)n2)cc1F ZINC001239577407 1131395761 /nfs/dbraw/zinc/39/57/61/1131395761.db2.gz MBAXNYGASMNJBT-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN COc1cccc2c1CN(Cc1ccc(C)s1)CC2 ZINC001204029720 1129763630 /nfs/dbraw/zinc/76/36/30/1129763630.db2.gz DBWXBYUJRVJMTP-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000652389552 1129763831 /nfs/dbraw/zinc/76/38/31/1129763831.db2.gz LGHAJOROUUDMIT-QGZVFWFLSA-N 0 1 287.403 3.930 20 0 CHADMN Fc1ccc2c(c1)[C@H](N1CCC(F)(F)CC1)CC2 ZINC000796542782 1129777513 /nfs/dbraw/zinc/77/75/13/1129777513.db2.gz JOXWQKZUMBLINP-CYBMUJFWSA-N 0 1 255.283 3.544 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN(CCC(=O)C2CC2)C2CC2)o1 ZINC000767347005 1129787156 /nfs/dbraw/zinc/78/71/56/1129787156.db2.gz MWXWVLVFBQSTTP-BLLLJJGKSA-N 0 1 287.403 3.737 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(F)F)C2)c(Cl)c1 ZINC000653593453 1129787166 /nfs/dbraw/zinc/78/71/66/1129787166.db2.gz AXZZHNBOWWCTDN-NSHDSACASA-N 0 1 259.727 3.735 20 0 CHADMN Cc1cccc(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)c1F ZINC001137675957 1131397654 /nfs/dbraw/zinc/39/76/54/1131397654.db2.gz DDANHIMADYQONR-SFHVURJKSA-N 0 1 298.405 3.623 20 0 CHADMN Cc1cccc(CN2CCN(C)[C@H](c3ccccc3)C2)c1F ZINC001137675957 1131397661 /nfs/dbraw/zinc/39/76/61/1131397661.db2.gz DDANHIMADYQONR-SFHVURJKSA-N 0 1 298.405 3.623 20 0 CHADMN COc1cccc2c1OCC[C@@H]2NCc1cc(C)oc1C ZINC000767371056 1129789763 /nfs/dbraw/zinc/78/97/63/1129789763.db2.gz JIUINIKWZDHMPQ-HNNXBMFYSA-N 0 1 287.359 3.518 20 0 CHADMN Clc1ccsc1CN1CCC[C@H](OC2CCC2)C1 ZINC000653812880 1129796320 /nfs/dbraw/zinc/79/63/20/1129796320.db2.gz SFXBZSCRRPAURC-LBPRGKRZSA-N 0 1 285.840 3.935 20 0 CHADMN C[C@H](c1cccnc1)N1C[C@H](C)OC2(CCCCC2)C1 ZINC000653906238 1129801626 /nfs/dbraw/zinc/80/16/26/1129801626.db2.gz QNCLLNASQCEOEP-LSDHHAIUSA-N 0 1 274.408 3.566 20 0 CHADMN c1c2ccccc2sc1CN1CCc2cnccc2C1 ZINC001137681472 1131399645 /nfs/dbraw/zinc/39/96/45/1131399645.db2.gz YUPGHRSWHRNJPE-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN CC1(C)CC(N[C@H](CF)c2ccccc2)CC(C)(C)N1O ZINC001169978542 1129825630 /nfs/dbraw/zinc/82/56/30/1129825630.db2.gz WPPLCSBAMNUYTQ-OAHLLOKOSA-N 0 1 294.414 3.698 20 0 CHADMN c1cc2cc(-c3noc([C@H]4CCCCN4)n3)ccc2s1 ZINC000822808777 1131399954 /nfs/dbraw/zinc/39/99/54/1131399954.db2.gz YDLSYUWMAICBHE-GFCCVEGCSA-N 0 1 285.372 3.766 20 0 CHADMN COc1ccc([C@@H]2CCCN2Cc2ccoc2)c(OC)c1 ZINC000768206796 1129840707 /nfs/dbraw/zinc/84/07/07/1129840707.db2.gz HROXPEOMRROSRW-INIZCTEOSA-N 0 1 287.359 3.634 20 0 CHADMN CC(C)[C@H]1COCCN1Cc1cc2ccccc2s1 ZINC001137685598 1131401008 /nfs/dbraw/zinc/40/10/08/1131401008.db2.gz RQQOAEJXOIUOEV-OAHLLOKOSA-N 0 1 275.417 3.758 20 0 CHADMN C[C@H]1CN(Cc2nn(C)c3ccccc23)Cc2ccccc21 ZINC000768194892 1129842277 /nfs/dbraw/zinc/84/22/77/1129842277.db2.gz IBVYHYVQJASLRH-AWEZNQCLSA-N 0 1 291.398 3.693 20 0 CHADMN Cc1ccc(C2=CCN(Cc3ccoc3)CC2)cc1 ZINC000768213929 1129844773 /nfs/dbraw/zinc/84/47/73/1129844773.db2.gz BJDDGQDSHROHLR-UHFFFAOYSA-N 0 1 253.345 3.877 20 0 CHADMN COc1ccc([C@H]2CCCN2Cc2ccoc2)cc1OC ZINC000768227272 1129845131 /nfs/dbraw/zinc/84/51/31/1129845131.db2.gz FHUKWYRUIONVKP-OAHLLOKOSA-N 0 1 287.359 3.634 20 0 CHADMN CCC(C)(CC)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000768229485 1129845247 /nfs/dbraw/zinc/84/52/47/1129845247.db2.gz UYPCMDVVSWTCRL-UHFFFAOYSA-N 0 1 280.387 3.652 20 0 CHADMN CCC(C)(C)c1ccccc1-c1nc([C@H]2CCCN2)no1 ZINC000900008783 1129857290 /nfs/dbraw/zinc/85/72/90/1129857290.db2.gz AKZYXSBEDOYZQB-CQSZACIVSA-N 0 1 285.391 3.849 20 0 CHADMN COc1ccccc1[C@H](NC1CC(C)C1)c1ccccn1 ZINC000768513697 1129858663 /nfs/dbraw/zinc/85/86/63/1129858663.db2.gz MDULSGLRSUDCMC-JRSKDTKFSA-N 0 1 282.387 3.568 20 0 CHADMN Cc1cc(Cl)nc(CN[C@@H](C)c2ccc(C)nc2C)c1 ZINC000800493316 1129879109 /nfs/dbraw/zinc/87/91/09/1129879109.db2.gz VXGBACFMVUAGNS-LBPRGKRZSA-N 0 1 289.810 3.906 20 0 CHADMN COc1cccc([C@H](C)NCc2cc(C)cc(Cl)n2)c1 ZINC000800493333 1129879919 /nfs/dbraw/zinc/87/99/19/1129879919.db2.gz WPVHQRFNAMPAHO-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CCN(C(=O)c1cc(C(F)F)n[nH]1)c1cccc(C)c1C ZINC000900352243 1129881149 /nfs/dbraw/zinc/88/11/49/1129881149.db2.gz AFWGLPJVRGMJEP-UHFFFAOYSA-N 0 1 293.317 3.631 20 0 CHADMN CC(C)N(Cc1cn(C/C=C\c2ccccc2)nn1)C(C)C ZINC000900503023 1129884765 /nfs/dbraw/zinc/88/47/65/1129884765.db2.gz ROGBLIURNGUHHD-FLIBITNWSA-N 0 1 298.434 3.610 20 0 CHADMN Cc1ccc(C)c(OC2CCN(Cc3ccoc3)CC2)c1 ZINC000769025126 1129886161 /nfs/dbraw/zinc/88/61/61/1129886161.db2.gz VLLPYNCGYKSZMS-UHFFFAOYSA-N 0 1 285.387 3.940 20 0 CHADMN CCN(CCc1ccccn1)Cc1cscc1Cl ZINC000769033374 1129886358 /nfs/dbraw/zinc/88/63/58/1129886358.db2.gz KZKMIGJEGLFZIA-UHFFFAOYSA-N 0 1 280.824 3.861 20 0 CHADMN Clc1nc2ccccn2c1CN1CCC[C@H]2CCC[C@H]21 ZINC000769101762 1129889886 /nfs/dbraw/zinc/88/98/86/1129889886.db2.gz GTUVOFAFTLPASQ-CHWSQXEVSA-N 0 1 289.810 3.752 20 0 CHADMN Cc1cccc2c1CCN(Cc1cnc3cccc(C)n13)C2 ZINC000769338705 1129903414 /nfs/dbraw/zinc/90/34/14/1129903414.db2.gz OEQMMJUWTJHRTI-UHFFFAOYSA-N 0 1 291.398 3.509 20 0 CHADMN COc1ccc(CN2CCc3c(C)cccc3C2)cc1OC ZINC000769340792 1129903486 /nfs/dbraw/zinc/90/34/86/1129903486.db2.gz XYFWBBCQDXEPKJ-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2cccc(O)c2)cnc1Cl ZINC000769384274 1129905370 /nfs/dbraw/zinc/90/53/70/1129905370.db2.gz NBQGGBQVMFGSMH-GFCCVEGCSA-N 0 1 290.794 3.942 20 0 CHADMN Fc1cc(CN2CCC3(CCCC3)C2)cc(F)c1F ZINC000769402099 1129906402 /nfs/dbraw/zinc/90/64/02/1129906402.db2.gz AIAJQOXPHFWSKY-UHFFFAOYSA-N 0 1 269.310 3.870 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCc2ccccc2F)no1 ZINC000769436814 1129908709 /nfs/dbraw/zinc/90/87/09/1129908709.db2.gz QQHLJLCNPCMHPU-INIZCTEOSA-N 0 1 274.339 3.502 20 0 CHADMN Cc1ccc(Cl)c(NC(=O)[C@@H]2CC[C@H]3CCCCN32)c1 ZINC000901082502 1129909209 /nfs/dbraw/zinc/90/92/09/1129909209.db2.gz WMISCJLQBOALEG-DOMZBBRYSA-N 0 1 292.810 3.604 20 0 CHADMN Cc1cccc(CN(C)Cc2cncc3ccccc32)n1 ZINC000769482051 1129909923 /nfs/dbraw/zinc/90/99/23/1129909923.db2.gz YDEXXXSJZJELFP-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN CO[C@@H]1CCN(Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000769446923 1129910674 /nfs/dbraw/zinc/91/06/74/1129910674.db2.gz QJLDCSZRPHSZJU-CYBMUJFWSA-N 0 1 291.391 3.775 20 0 CHADMN Cc1cc(CN2CCS[C@@H]3CCCC[C@@H]32)cnc1Cl ZINC000769497959 1129913864 /nfs/dbraw/zinc/91/38/64/1129913864.db2.gz HWQPVCXZIXLPCQ-UONOGXRCSA-N 0 1 296.867 3.903 20 0 CHADMN Fc1cccc(F)c1[C@H]1CCN(Cc2ccoc2)C1 ZINC000769557866 1129917878 /nfs/dbraw/zinc/91/78/78/1129917878.db2.gz CHMBBLVSRRRKGR-LBPRGKRZSA-N 0 1 263.287 3.547 20 0 CHADMN c1c(CN[C@@H]2CCCc3ccccc32)onc1[C@H]1CCCO1 ZINC000901396876 1129920482 /nfs/dbraw/zinc/92/04/82/1129920482.db2.gz RAMIXDREENJADJ-SJLPKXTDSA-N 0 1 298.386 3.693 20 0 CHADMN CC[N@@H+](CC(=O)[O-])Cc1ccc(-c2cc(C)cc(C)c2)cc1 ZINC000901426946 1129924064 /nfs/dbraw/zinc/92/40/64/1129924064.db2.gz UCAJMKFPMJGERE-UHFFFAOYSA-N 0 1 297.398 3.877 20 0 CHADMN CCc1oc(C[N@@H+](C)C[C@H](C)C(C)(C)C)cc1C(=O)[O-] ZINC000901553829 1129935843 /nfs/dbraw/zinc/93/58/43/1129935843.db2.gz PVADERJJAJLQTD-NSHDSACASA-N 0 1 281.396 3.654 20 0 CHADMN CCCc1ccc(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)s1 ZINC000901551622 1129935878 /nfs/dbraw/zinc/93/58/78/1129935878.db2.gz HPBGWUAMNQRCQM-CYBMUJFWSA-N 0 1 295.448 3.777 20 0 CHADMN CC(C)C[N@@H+](CC(=O)[O-])[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000901591268 1129937834 /nfs/dbraw/zinc/93/78/34/1129937834.db2.gz ZFXNXBZQHPRVLV-WMZOPIPTSA-N 0 1 289.419 3.539 20 0 CHADMN CC(C)C[N@@H+](CC(=O)[O-])[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000901591266 1129938155 /nfs/dbraw/zinc/93/81/55/1129938155.db2.gz ZFXNXBZQHPRVLV-FUHWJXTLSA-N 0 1 289.419 3.539 20 0 CHADMN C[C@@H](Cc1ccccc1)C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000901591559 1129938279 /nfs/dbraw/zinc/93/82/79/1129938279.db2.gz DGPHMRNCPIQEQX-HNNXBMFYSA-N 0 1 297.398 3.695 20 0 CHADMN CC[N@H+](CCC(=O)[O-])CC[C@H](C)CCC=C(C)C ZINC000901605217 1129938624 /nfs/dbraw/zinc/93/86/24/1129938624.db2.gz OFLCTUFQZOCYJF-CQSZACIVSA-N 0 1 255.402 3.556 20 0 CHADMN CC(C)C(C[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1)C(C)C ZINC000901622620 1129939312 /nfs/dbraw/zinc/93/93/12/1129939312.db2.gz IDTYGOGPFUJEAI-UHFFFAOYSA-N 0 1 295.398 3.641 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000901627013 1129939579 /nfs/dbraw/zinc/93/95/79/1129939579.db2.gz FHYLYALBAHKTSE-JCGIZDLHSA-N 0 1 299.414 3.663 20 0 CHADMN CC1=C[C@@H](C)C[C@H](C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000901646776 1129940759 /nfs/dbraw/zinc/94/07/59/1129940759.db2.gz UUSJQAXWFWGBHG-OCCSQVGLSA-N 0 1 285.387 3.693 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000901745660 1129949215 /nfs/dbraw/zinc/94/92/15/1129949215.db2.gz BYAWUQJHVWTFAP-KSSFIOAISA-N 0 1 299.414 3.735 20 0 CHADMN CC1(C)Cc2cc(NCc3ccc4nc[nH]c4c3)ccc2O1 ZINC000770594051 1129952058 /nfs/dbraw/zinc/95/20/58/1129952058.db2.gz ZUQBCCCCDUGCTA-UHFFFAOYSA-N 0 1 293.370 3.889 20 0 CHADMN Cc1nc(COC(=O)c2ccc(C3CCCCC3)cc2)n[nH]1 ZINC000770640757 1129952984 /nfs/dbraw/zinc/95/29/84/1129952984.db2.gz URZYJKSNDRFIJT-UHFFFAOYSA-N 0 1 299.374 3.518 20 0 CHADMN Cc1cc(C[NH2+][C@H](C(=O)[O-])c2ccc(C)c(C)c2)cs1 ZINC000901844165 1129959365 /nfs/dbraw/zinc/95/93/65/1129959365.db2.gz MIZHYYYJQHUSBZ-HNNXBMFYSA-N 0 1 289.400 3.589 20 0 CHADMN Cc1cc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C)c(C)c2)cs1 ZINC000901844166 1129959380 /nfs/dbraw/zinc/95/93/80/1129959380.db2.gz MIZHYYYJQHUSBZ-OAHLLOKOSA-N 0 1 289.400 3.589 20 0 CHADMN Cc1cccc(NCC[C@@]2(C)CC2(Cl)Cl)n1 ZINC000829058413 1131410569 /nfs/dbraw/zinc/41/05/69/1131410569.db2.gz IDNBBSBBTWGJCV-NSHDSACASA-N 0 1 259.180 3.776 20 0 CHADMN Cc1cc(C)c(/C=C/C[N@H+]2CCCC[C@H]2C(=O)[O-])c(C)c1 ZINC000901967419 1129968605 /nfs/dbraw/zinc/96/86/05/1129968605.db2.gz JSCJDQSBUMXJBA-LXXRFIIISA-N 0 1 287.403 3.564 20 0 CHADMN CCc1ccc(C)nc1NCc1ccc(OC)cc1F ZINC001461628386 1129970781 /nfs/dbraw/zinc/97/07/81/1129970781.db2.gz DIZKUSSHJYXHAZ-UHFFFAOYSA-N 0 1 274.339 3.712 20 0 CHADMN CCC[C@H](C[N@H+]1CCC[C@@H]1CC(=O)[O-])c1ccccc1 ZINC000902007702 1129970963 /nfs/dbraw/zinc/97/09/63/1129970963.db2.gz OSRGZEPKFUYUET-HZPDHXFCSA-N 0 1 275.392 3.509 20 0 CHADMN Cc1ccc([C@@H](C)C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000902021121 1129971657 /nfs/dbraw/zinc/97/16/57/1129971657.db2.gz ZIAIUQZYIWMVSU-HOCLYGCPSA-N 0 1 277.408 3.530 20 0 CHADMN CCCc1ccc(C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-])s1 ZINC000902019890 1129972209 /nfs/dbraw/zinc/97/22/09/1129972209.db2.gz JZCRRQNHYRZYIF-AWEZNQCLSA-N 0 1 283.437 3.632 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000902038532 1129973089 /nfs/dbraw/zinc/97/30/89/1129973089.db2.gz IELZIZXYZDHORJ-AWEZNQCLSA-N 0 1 281.440 3.922 20 0 CHADMN CC[C@@H](C[N@@H+](CC(=O)[O-])C1CCCC1)c1ccccc1 ZINC000902040071 1129973296 /nfs/dbraw/zinc/97/32/96/1129973296.db2.gz WTPFSYLHCIUGAJ-AWEZNQCLSA-N 0 1 275.392 3.509 20 0 CHADMN Cc1cc(N2CCCC[C@@H]2c2cccc(C)c2C)nc(N)n1 ZINC000771140667 1129973428 /nfs/dbraw/zinc/97/34/28/1129973428.db2.gz BJNLLGNRCUGCCY-MRXNPFEDSA-N 0 1 296.418 3.716 20 0 CHADMN CNc1ccccc1CN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000902053553 1129974933 /nfs/dbraw/zinc/97/49/33/1129974933.db2.gz YRJSHCIWUCZLHY-CYBMUJFWSA-N 0 1 297.402 3.538 20 0 CHADMN CNc1ccccc1CN[C@H](C)c1cc(F)ccc1OC ZINC000902076893 1129977419 /nfs/dbraw/zinc/97/74/19/1129977419.db2.gz BRSXSVFIJKHOTD-GFCCVEGCSA-N 0 1 288.366 3.727 20 0 CHADMN C[C@@H]1CCC[C@H](CN(C)Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000771443099 1129981082 /nfs/dbraw/zinc/98/10/82/1129981082.db2.gz HXRDIVXDFTWPLE-KGLIPLIRSA-N 0 1 299.418 3.594 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Cl)nc2)CC12CCC2 ZINC000771462563 1129981216 /nfs/dbraw/zinc/98/12/16/1129981216.db2.gz IWSFFYADCBBTPT-LBPRGKRZSA-N 0 1 264.800 3.747 20 0 CHADMN CCc1oc(C[N@H+](CC)CC(CC)CC)cc1C(=O)[O-] ZINC000902130147 1129983180 /nfs/dbraw/zinc/98/31/80/1129983180.db2.gz CTOHGLUVJJIZPZ-UHFFFAOYSA-N 0 1 281.396 3.798 20 0 CHADMN CS/C=C/C(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000771600668 1129985869 /nfs/dbraw/zinc/98/58/69/1129985869.db2.gz BNXUPZNAIKXBNI-HQZHTGGTSA-N 0 1 296.779 3.697 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C=C3CC[C@@H](C)C3)c2C)o1 ZINC000771670257 1129987250 /nfs/dbraw/zinc/98/72/50/1129987250.db2.gz WGSPOZQVTGCXOV-PEHNMLCRSA-N 0 1 299.374 3.971 20 0 CHADMN CCc1oc(C[N@H+]2CCC[C@H](C(C)C)CC2)cc1C(=O)[O-] ZINC000902257600 1129994170 /nfs/dbraw/zinc/99/41/70/1129994170.db2.gz ADOUNPCHJJURNP-ZDUSSCGKSA-N 0 1 293.407 3.798 20 0 CHADMN C[N@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)C[C@H]1CC=CCC1 ZINC000902342076 1130001156 /nfs/dbraw/zinc/00/11/56/1130001156.db2.gz JGSQSCOGQRCBQQ-LBPRGKRZSA-N 0 1 293.794 3.826 20 0 CHADMN CCC(CC)n1ccc(CSCc2[nH]ncc2C)n1 ZINC000902346025 1130002240 /nfs/dbraw/zinc/00/22/40/1130002240.db2.gz SFLINKJZOCOVQE-UHFFFAOYSA-N 0 1 278.425 3.709 20 0 CHADMN c1cc(C2=NCCC2)cc(-c2ccc3c(c2)OCCO3)c1 ZINC001239605152 1130007918 /nfs/dbraw/zinc/00/79/18/1130007918.db2.gz QRUPAHWTKSZIAN-UHFFFAOYSA-N 0 1 279.339 3.708 20 0 CHADMN COc1ccc(-c2cccc3nc(C)[nH]c32)cc1OC ZINC001239616966 1130014201 /nfs/dbraw/zinc/01/42/01/1130014201.db2.gz KSSQINYJXKPHPU-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN CCc1oc(C[N@H+]2CCC[C@@H]2C2CCCC2)cc1C(=O)[O-] ZINC000902512018 1130017803 /nfs/dbraw/zinc/01/78/03/1130017803.db2.gz DEUJTIQMNMNZKX-OAHLLOKOSA-N 0 1 291.391 3.695 20 0 CHADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000902523431 1130019333 /nfs/dbraw/zinc/01/93/33/1130019333.db2.gz KCOVFYRHXYENOZ-TZMCWYRMSA-N 0 1 293.382 3.504 20 0 CHADMN CCc1oc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)cc1C(=O)[O-] ZINC000902517691 1130020054 /nfs/dbraw/zinc/02/00/54/1130020054.db2.gz HBSDFPKFGQQTAX-LALPHHSUSA-N 0 1 291.391 3.693 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000902523200 1130020351 /nfs/dbraw/zinc/02/03/51/1130020351.db2.gz GVJXIUPDRAQOGU-CQSZACIVSA-N 0 1 295.810 3.978 20 0 CHADMN CCc1oc(C[N@H+]2CCC[C@@H]2CC(C)C)cc1C(=O)[O-] ZINC000902546821 1130022372 /nfs/dbraw/zinc/02/23/72/1130022372.db2.gz HSDAOIQRYWGNGF-GFCCVEGCSA-N 0 1 279.380 3.551 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000902543246 1130022436 /nfs/dbraw/zinc/02/24/36/1130022436.db2.gz QZOMXCICQFRVOU-XNJGSVPQSA-N 0 1 299.370 3.744 20 0 CHADMN CC(=O)c1ccc(-c2cc(N3CCCCC3)ccn2)cc1 ZINC001239628674 1130022900 /nfs/dbraw/zinc/02/29/00/1130022900.db2.gz YGFNMTINIOHLTK-UHFFFAOYSA-N 0 1 280.371 3.942 20 0 CHADMN CCc1oc(C[N@H+](CC)C(CC)CC)cc1C(=O)[O-] ZINC000902548009 1130023886 /nfs/dbraw/zinc/02/38/86/1130023886.db2.gz WDQCXRYDNFVWMQ-UHFFFAOYSA-N 0 1 267.369 3.551 20 0 CHADMN CCCC1CCC(C[N@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)CC1 ZINC000902560219 1130024634 /nfs/dbraw/zinc/02/46/34/1130024634.db2.gz QXENGNSBJPMZSM-PRLABOORSA-N 0 1 281.440 3.636 20 0 CHADMN CC(=O)c1cccc(-c2ccc3nc(C)[nH]c3c2)c1 ZINC001239635417 1130026432 /nfs/dbraw/zinc/02/64/32/1130026432.db2.gz BEBHKLKCRXXDHN-UHFFFAOYSA-N 0 1 250.301 3.741 20 0 CHADMN CC(=O)c1cccc(-c2ccc(CN3CCC3)cc2)c1 ZINC001239639193 1130029946 /nfs/dbraw/zinc/02/99/46/1130029946.db2.gz VTIKMGJXHHRHOX-UHFFFAOYSA-N 0 1 265.356 3.762 20 0 CHADMN CCNc1ccccc1CNCc1cc(OC)ccc1F ZINC000902621222 1130031575 /nfs/dbraw/zinc/03/15/75/1130031575.db2.gz ACQPQSPNCANZAO-UHFFFAOYSA-N 0 1 288.366 3.556 20 0 CHADMN CCn1cnc(CN[C@@H]2C[C@H](C(C)C)c3ccccc32)c1 ZINC000902625954 1130032269 /nfs/dbraw/zinc/03/22/69/1130032269.db2.gz LANFZDBGLWEROU-QZTJIDSGSA-N 0 1 283.419 3.877 20 0 CHADMN C/C(=C/C(C)(C)C)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000772658634 1130035585 /nfs/dbraw/zinc/03/55/85/1130035585.db2.gz VOMPOWXFECLMSN-BENRWUELSA-N 0 1 291.439 3.658 20 0 CHADMN Cc1cscc1CNCc1c(Cl)nc2ccccn21 ZINC000785522100 1130038328 /nfs/dbraw/zinc/03/83/28/1130038328.db2.gz PUXLJUHHBRMLTJ-UHFFFAOYSA-N 0 1 291.807 3.647 20 0 CHADMN CCC[C@](C)(NCc1cn(CC)cn1)c1ccccc1 ZINC000902689583 1130039476 /nfs/dbraw/zinc/03/94/76/1130039476.db2.gz KDRRTFNWYMDHML-KRWDZBQOSA-N 0 1 271.408 3.708 20 0 CHADMN CCC[C@@](C)(NCc1cn(CC)cn1)c1ccccc1 ZINC000902689584 1130039910 /nfs/dbraw/zinc/03/99/10/1130039910.db2.gz KDRRTFNWYMDHML-QGZVFWFLSA-N 0 1 271.408 3.708 20 0 CHADMN COc1ccc2c(c1)nccc2-c1nccc2[nH]ccc21 ZINC001239666511 1130041898 /nfs/dbraw/zinc/04/18/98/1130041898.db2.gz RCTNAFMARWPBOO-UHFFFAOYSA-N 0 1 275.311 3.787 20 0 CHADMN C[C@@H](N[C@@H](CC(C)(C)C)c1ccccc1)c1cn(C)nn1 ZINC000902746555 1130049606 /nfs/dbraw/zinc/04/96/06/1130049606.db2.gz JZRCFSSHIIWTEV-HIFRSBDPSA-N 0 1 286.423 3.643 20 0 CHADMN CC[C@@](C)(NCc1cccnc1OC)c1ccccc1 ZINC000785785667 1130056089 /nfs/dbraw/zinc/05/60/89/1130056089.db2.gz IJPSSWLNQRNFOR-QGZVFWFLSA-N 0 1 270.376 3.505 20 0 CHADMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cc(Cl)cs1 ZINC000785876455 1130058270 /nfs/dbraw/zinc/05/82/70/1130058270.db2.gz OJPKBOADBBRKLY-UHFFFAOYSA-N 0 1 295.726 3.669 20 0 CHADMN CN(C)Cc1cccc(-c2cc(F)ccc2F)c1F ZINC001239711516 1130065922 /nfs/dbraw/zinc/06/59/22/1130065922.db2.gz DUGYWQASSWRICI-UHFFFAOYSA-N 0 1 265.278 3.833 20 0 CHADMN CCCCCCC(=O)COC(=O)c1c(C)n[nH]c1C(C)C ZINC000786341444 1130087056 /nfs/dbraw/zinc/08/70/56/1130087056.db2.gz BJPCYPWFDUBNBR-UHFFFAOYSA-N 0 1 294.395 3.538 20 0 CHADMN FC1(F)CCC[C@@H]1N[C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902989343 1130095730 /nfs/dbraw/zinc/09/57/30/1130095730.db2.gz BDFUUCBLNBULHW-KKUMJFAQSA-N 0 1 287.394 3.749 20 0 CHADMN COc1ccc(C)cc1-c1ccc2nc(C)[nH]c2c1 ZINC001239767998 1130099816 /nfs/dbraw/zinc/09/98/16/1130099816.db2.gz NKBXNJZPNYBPBA-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN CCOCc1ccccc1CN[C@@H](c1ccccn1)C1CC1 ZINC000903061340 1130106704 /nfs/dbraw/zinc/10/67/04/1130106704.db2.gz DPJIZVDMPMFHCK-LJQANCHMSA-N 0 1 296.414 3.859 20 0 CHADMN CCC[C@@H](N[C@@H](c1nncn1C)C(C)C)c1ccccc1 ZINC000903062860 1130107327 /nfs/dbraw/zinc/10/73/27/1130107327.db2.gz XYCRJOXSYRLMQB-HZPDHXFCSA-N 0 1 286.423 3.643 20 0 CHADMN CC(C)[C@@H](N[C@H]1CC[C@@H](C)c2ccccc21)c1nncn1C ZINC000903062528 1130108060 /nfs/dbraw/zinc/10/80/60/1130108060.db2.gz VQJZUAKQFFABHT-XOKHGSTOSA-N 0 1 298.434 3.740 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(O)c1)c1cnn(CC2CCC2)c1 ZINC000903091210 1130110675 /nfs/dbraw/zinc/11/06/75/1130110675.db2.gz PITNPXWPXQZFTL-UONOGXRCSA-N 0 1 299.418 3.801 20 0 CHADMN CCSc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000903088835 1130110745 /nfs/dbraw/zinc/11/07/45/1130110745.db2.gz UHWIYMMFPPZKCV-HNNXBMFYSA-N 0 1 287.432 3.689 20 0 CHADMN C[C@H](OC(=O)[C@H]1CCCN1C1CCCC1)c1ccccc1 ZINC000786882301 1130121544 /nfs/dbraw/zinc/12/15/44/1130121544.db2.gz NTQBVVRGJSBJBF-WMLDXEAASA-N 0 1 287.403 3.698 20 0 CHADMN c1c[nH]c([C@@H](NCC[C@@H]2CC[C@@H]3C[C@@H]32)c2ccccc2)n1 ZINC000903167113 1130123006 /nfs/dbraw/zinc/12/30/06/1130123006.db2.gz ZEUCKKNAMMUQQV-SVGFKBNWSA-N 0 1 281.403 3.525 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc(C)c(F)c1 ZINC001239824127 1130125228 /nfs/dbraw/zinc/12/52/28/1130125228.db2.gz SNDYFTMMUFPAJI-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN Cc1cncc([C@H](C)NCc2nccc3c2CCCC3)c1 ZINC000903182804 1130125877 /nfs/dbraw/zinc/12/58/77/1130125877.db2.gz VDXUZJYBIFRYQE-AWEZNQCLSA-N 0 1 281.403 3.515 20 0 CHADMN C[C@H]1CCc2ccccc2[C@@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000903201535 1130129406 /nfs/dbraw/zinc/12/94/06/1130129406.db2.gz IPKFYSSLSZCFAR-IFXJQAMLSA-N 0 1 295.430 3.561 20 0 CHADMN COc1ccc2cc(-c3ccc4[nH]nnc4c3)ccc2c1 ZINC001239840300 1130131394 /nfs/dbraw/zinc/13/13/94/1130131394.db2.gz MCOMKTIJIDKNOO-UHFFFAOYSA-N 0 1 275.311 3.787 20 0 CHADMN COc1ccc2cc(-c3ccc4nn[nH]c4c3)ccc2c1 ZINC001239840300 1130131395 /nfs/dbraw/zinc/13/13/95/1130131395.db2.gz MCOMKTIJIDKNOO-UHFFFAOYSA-N 0 1 275.311 3.787 20 0 CHADMN Cc1nc(F)ccc1CN1CCC[C@H]1c1ccc(O)cc1 ZINC000787130132 1130131770 /nfs/dbraw/zinc/13/17/70/1130131770.db2.gz PNHGHKDUDHSEAY-INIZCTEOSA-N 0 1 286.350 3.572 20 0 CHADMN Cc1nc(F)ccc1CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000787130133 1130132378 /nfs/dbraw/zinc/13/23/78/1130132378.db2.gz PNHGHKDUDHSEAY-MRXNPFEDSA-N 0 1 286.350 3.572 20 0 CHADMN CC[C@@H](NCc1cnn(CC2CCC2)c1)c1ccsc1 ZINC000903239954 1130133818 /nfs/dbraw/zinc/13/38/18/1130133818.db2.gz NQQXNTGMCHJYOH-MRXNPFEDSA-N 0 1 289.448 3.986 20 0 CHADMN COc1c(Cl)cccc1CN[C@@H](C)c1cncc(C)c1 ZINC000903247924 1130136522 /nfs/dbraw/zinc/13/65/22/1130136522.db2.gz ZDCSQVPDZNEGRE-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1cccnc1-c1ccccc1 ZINC001239875607 1130144322 /nfs/dbraw/zinc/14/43/22/1130144322.db2.gz ACRDRKYQHITUDN-UHFFFAOYSA-N 0 1 290.301 3.826 20 0 CHADMN COc1ccc(OC)c(-c2ccc3nc[nH]c3c2C)c1OC ZINC001239877953 1130145140 /nfs/dbraw/zinc/14/51/40/1130145140.db2.gz JBRQMQQOVLULPX-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN CCc1ccc([C@H](C)NCc2c(C)cc(CO)cc2C)o1 ZINC000903308146 1130149698 /nfs/dbraw/zinc/14/96/98/1130149698.db2.gz OBVQAPZIDCPKDE-AWEZNQCLSA-N 0 1 287.403 3.802 20 0 CHADMN Cc1cc([C@H](C)NCc2c(C)cc(CO)cc2C)oc1C ZINC000903303971 1130150093 /nfs/dbraw/zinc/15/00/93/1130150093.db2.gz XGNRYHBAKDLOCT-AWEZNQCLSA-N 0 1 287.403 3.856 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1c(C)cc(CO)cc1C ZINC000903308977 1130150907 /nfs/dbraw/zinc/15/09/07/1130150907.db2.gz SCNDEFKDAKANDE-HNNXBMFYSA-N 0 1 298.430 3.604 20 0 CHADMN COc1cc(C)ccc1[C@H](C)N[C@H](C)c1cncs1 ZINC000903309392 1130151140 /nfs/dbraw/zinc/15/11/40/1130151140.db2.gz FINVVDPHMAAQCD-NWDGAFQWSA-N 0 1 276.405 3.872 20 0 CHADMN Cc1ccc([C@H](NCc2ccc3nonc3c2)C2CCC2)o1 ZINC000903327101 1130155873 /nfs/dbraw/zinc/15/58/73/1130155873.db2.gz XETIKCLZCWJDQL-QGZVFWFLSA-N 0 1 297.358 3.755 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](c2ccccn2)C2CC2)c(C)n1 ZINC000903334585 1130159680 /nfs/dbraw/zinc/15/96/80/1130159680.db2.gz CTGHKDUXYYFBCI-KSSFIOAISA-N 0 1 281.403 3.895 20 0 CHADMN COCc1cccc(-c2ccc3nc[nH]c3c2C)c1 ZINC001239937351 1130159893 /nfs/dbraw/zinc/15/98/93/1130159893.db2.gz ZRXXHOMOIFLUFE-UHFFFAOYSA-N 0 1 252.317 3.685 20 0 CHADMN CC(C)c1ccc(N[C@@H](c2cccs2)c2nnc[nH]2)cn1 ZINC000903338966 1130161775 /nfs/dbraw/zinc/16/17/75/1130161775.db2.gz IBATVOTVQKVBLU-AWEZNQCLSA-N 0 1 299.403 3.586 20 0 CHADMN Cc1cncc([C@H](C)N[C@H](C)c2cnn(CC3CCC3)c2)c1 ZINC000903403643 1130171187 /nfs/dbraw/zinc/17/11/87/1130171187.db2.gz FDLFOTCRPSHMGR-LSDHHAIUSA-N 0 1 298.434 3.798 20 0 CHADMN CO[C@@H]1CC[C@@H](N[C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000788061911 1130171443 /nfs/dbraw/zinc/17/14/43/1130171443.db2.gz HJWBDKMZNQGPSR-BPLDGKMQSA-N 0 1 286.375 3.560 20 0 CHADMN Cc1ncccc1CCN[C@H](C)c1csc(C(C)C)n1 ZINC000903414514 1130172676 /nfs/dbraw/zinc/17/26/76/1130172676.db2.gz BLIMSIFPZHZWFD-CYBMUJFWSA-N 0 1 289.448 3.863 20 0 CHADMN CCCOc1ccc(-c2cc3nc[nH]c3cn2)c(F)c1F ZINC001239964630 1130174968 /nfs/dbraw/zinc/17/49/68/1130174968.db2.gz SJQZOGIMMKHPKG-UHFFFAOYSA-N 0 1 289.285 3.692 20 0 CHADMN C[C@H](N[C@@H](c1ccncc1)C1CC1)c1cc(O)ccc1F ZINC000903428453 1130175802 /nfs/dbraw/zinc/17/58/02/1130175802.db2.gz HJQQYPBJPJMLCE-APPDUMDISA-N 0 1 286.350 3.728 20 0 CHADMN C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1cc(O)ccc1F ZINC000903428456 1130175869 /nfs/dbraw/zinc/17/58/69/1130175869.db2.gz HJQQYPBJPJMLCE-PIGZYNQJSA-N 0 1 286.350 3.728 20 0 CHADMN C[C@H](N[C@@H](c1ccncc1)C1CC1)c1cn2ccccc2n1 ZINC000903428584 1130176135 /nfs/dbraw/zinc/17/61/35/1130176135.db2.gz PEDMJTYYUAVFNF-SCLBCKFNSA-N 0 1 292.386 3.531 20 0 CHADMN Nc1ccc(C(F)(F)F)cc1-c1cccc2cncn21 ZINC001243006066 1130176247 /nfs/dbraw/zinc/17/62/47/1130176247.db2.gz ZALNOKCIYMJXQU-UHFFFAOYSA-N 0 1 277.249 3.602 20 0 CHADMN Fc1ccc2c(c1)[C@H](NC/C=C/Cl)CCS2 ZINC000903442766 1130177244 /nfs/dbraw/zinc/17/72/44/1130177244.db2.gz TYXZSUZNJPAVOX-MOWVOVBGSA-N 0 1 257.761 3.705 20 0 CHADMN CC(C)Oc1cccc(-c2cccc3cncn32)c1 ZINC001239969233 1130178305 /nfs/dbraw/zinc/17/83/05/1130178305.db2.gz IXIFXVQMDANCBG-UHFFFAOYSA-N 0 1 252.317 3.789 20 0 CHADMN CC(C)[C@@H](C(=O)OCc1cc2ccccc2s1)N(C)C ZINC000803494452 1130179424 /nfs/dbraw/zinc/17/94/24/1130179424.db2.gz FQOSNRUNKWXSQS-HNNXBMFYSA-N 0 1 291.416 3.531 20 0 CHADMN Cc1ccncc1-c1cccc2nc(C(F)(F)F)[nH]c21 ZINC001239977362 1130180869 /nfs/dbraw/zinc/18/08/69/1130180869.db2.gz VSZYJYVOLPSGPD-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCCC2(C1)CCCCCC2 ZINC000903598352 1130183734 /nfs/dbraw/zinc/18/37/34/1130183734.db2.gz UXHNKQSWBCTFIK-GJZGRUSLSA-N 0 1 281.440 3.922 20 0 CHADMN C[N@@H+](CC[C@@H]1CCCC1(F)F)Cc1ccc(C(=O)[O-])cc1 ZINC000903595542 1130183756 /nfs/dbraw/zinc/18/37/56/1130183756.db2.gz FBHKTURAJPIEID-AWEZNQCLSA-N 0 1 297.345 3.642 20 0 CHADMN CCSc1ccccc1C[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000903609067 1130184826 /nfs/dbraw/zinc/18/48/26/1130184826.db2.gz SRXLULRAFQKQNC-LBPRGKRZSA-N 0 1 293.432 3.626 20 0 CHADMN C=C/C=C/CC[N@@H+](CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC000903607454 1130185079 /nfs/dbraw/zinc/18/50/79/1130185079.db2.gz BLHHTRJEAULTMI-SQRWCISFSA-N 0 1 273.376 3.657 20 0 CHADMN C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000903632376 1130185591 /nfs/dbraw/zinc/18/55/91/1130185591.db2.gz XRRHLTJZXXFZPO-CZUORRHYSA-N 0 1 299.370 3.746 20 0 CHADMN CC[C@H](OC(=O)[C@@H](C(C)C)N(C)C)c1ccc(F)cc1F ZINC000803700739 1130187520 /nfs/dbraw/zinc/18/75/20/1130187520.db2.gz HJPMKUZCHHZLQI-LSDHHAIUSA-N 0 1 299.361 3.545 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC000903696668 1130189949 /nfs/dbraw/zinc/18/99/49/1130189949.db2.gz LEVIYIWGGLUVKS-LBPRGKRZSA-N 0 1 295.810 3.978 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@@H]2c2ccc(F)cc2)CCC1 ZINC000903697008 1130190267 /nfs/dbraw/zinc/19/02/67/1130190267.db2.gz PDCYCAALFWFJLX-OAHLLOKOSA-N 0 1 291.366 3.608 20 0 CHADMN O=C([O-])C[N@H+](Cc1ccccc1)CC1CCC2(CC2)CC1 ZINC000903895508 1130209389 /nfs/dbraw/zinc/20/93/89/1130209389.db2.gz HBMKCSWDRAUZQS-UHFFFAOYSA-N 0 1 287.403 3.544 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000903911435 1130210179 /nfs/dbraw/zinc/21/01/79/1130210179.db2.gz GMXKOFXCVLJGLB-BZUAXINKSA-N 0 1 291.435 3.532 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1C(C)C ZINC000903901369 1130210376 /nfs/dbraw/zinc/21/03/76/1130210376.db2.gz HKFMTUFTFBEYPD-MRXNPFEDSA-N 0 1 277.408 3.741 20 0 CHADMN C[C@H](C[N@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]1C)c1ccccc1 ZINC000903951288 1130211711 /nfs/dbraw/zinc/21/17/11/1130211711.db2.gz TWNTZGOUFQVSRR-CLBVLKOUSA-N 0 1 289.419 3.610 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCCCC(F)(F)F)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903952916 1130213320 /nfs/dbraw/zinc/21/33/20/1130213320.db2.gz NCXSRLGEAMSANJ-RHYQMDGZSA-N 0 1 295.345 3.539 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2Cl)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903952138 1130213498 /nfs/dbraw/zinc/21/34/98/1130213498.db2.gz WLEDLVFADMTXHZ-NWJSVONSSA-N 0 1 295.810 3.660 20 0 CHADMN COc1ccc(F)c(-c2cccc(CN(C)C)c2F)c1 ZINC001240119895 1130216418 /nfs/dbraw/zinc/21/64/18/1130216418.db2.gz GAJIATUPUDNELB-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN COc1ccc2c(c1)c(CN1CCC[C@@](C)(F)C1)cn2C ZINC001139148297 1130218149 /nfs/dbraw/zinc/21/81/49/1130218149.db2.gz DVPHBTINDROWQO-QGZVFWFLSA-N 0 1 290.382 3.511 20 0 CHADMN c1ncn2cc(-c3cccc(N4CCCCC4)c3)ccc12 ZINC001240252013 1130248729 /nfs/dbraw/zinc/24/87/29/1130248729.db2.gz XMXVVFYWIOQGEQ-UHFFFAOYSA-N 0 1 277.371 3.992 20 0 CHADMN Cc1ccc([C@H](O)CN2CC[C@H]2c2cccc(F)c2)cc1 ZINC000748834890 1130250241 /nfs/dbraw/zinc/25/02/41/1130250241.db2.gz XPCMFCLCBKYWPI-ZWKOTPCHSA-N 0 1 285.362 3.615 20 0 CHADMN CCOC(CN1CCc2c(cccc2C(C)C)C1)OCC ZINC000789547944 1130259999 /nfs/dbraw/zinc/25/99/99/1130259999.db2.gz DDOBVPIHQCWVEG-UHFFFAOYSA-N 0 1 291.435 3.567 20 0 CHADMN CCCCO[C@@H]1C[C@H](NCc2coc(C3CC3)n2)C1(C)C ZINC000749110261 1130264579 /nfs/dbraw/zinc/26/45/79/1130264579.db2.gz CGFXIMKVGJLQHN-LSDHHAIUSA-N 0 1 292.423 3.625 20 0 CHADMN CCN(Cc1ccccc1)Cc1cnc(OC)c(Cl)c1 ZINC000676880916 1130274691 /nfs/dbraw/zinc/27/46/91/1130274691.db2.gz QMUIUHUXWFJGOH-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN c1ccc(CN2Cc3cccc(-c4cncnc4)c3C2)cc1 ZINC001240375423 1130283298 /nfs/dbraw/zinc/28/32/98/1130283298.db2.gz KFEFURGWAMAWFE-UHFFFAOYSA-N 0 1 287.366 3.659 20 0 CHADMN Cc1c(-c2ccc3nc(-c4ccccc4)[nH]c3c2)cnn1C ZINC001240384207 1130285653 /nfs/dbraw/zinc/28/56/53/1130285653.db2.gz ONRAFDCTFNZUJU-UHFFFAOYSA-N 0 1 288.354 3.939 20 0 CHADMN Cc1cnc(F)c(C2=CCCN(Cc3ccccc3)C2)c1 ZINC001240386923 1130286373 /nfs/dbraw/zinc/28/63/73/1130286373.db2.gz IUOCBEAZYXZXAO-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN CC[C@@H](NCc1ccnn1CC)c1ccc(Cl)s1 ZINC000677139782 1130294367 /nfs/dbraw/zinc/29/43/67/1130294367.db2.gz VTPKVOJFXJYYMA-LLVKDONJSA-N 0 1 283.828 3.859 20 0 CHADMN Cc1csc(CN2CC[C@@]3(C2)CCCCO3)c1Cl ZINC001137287845 1130296631 /nfs/dbraw/zinc/29/66/31/1130296631.db2.gz ZIZSNAMBRHQQHJ-CQSZACIVSA-N 0 1 285.840 3.855 20 0 CHADMN Cc1ccc(C[C@H]2CCCN(Cc3nccc(C)n3)C2)cc1 ZINC000677376936 1130307855 /nfs/dbraw/zinc/30/78/55/1130307855.db2.gz ATLKXZPMIXGTNB-GOSISDBHSA-N 0 1 295.430 3.548 20 0 CHADMN CC(C)N1CC(Nc2cc(Cl)nc3c(F)cccc23)C1 ZINC001157529878 1130314994 /nfs/dbraw/zinc/31/49/94/1130314994.db2.gz OLBFKRKKLOROAT-UHFFFAOYSA-N 0 1 293.773 3.532 20 0 CHADMN CSc1ccc(F)c(-c2ccc3nn[nH]c3c2)c1F ZINC001243205618 1130318939 /nfs/dbraw/zinc/31/89/39/1130318939.db2.gz OYZLJFZOCHAMFQ-UHFFFAOYSA-N 0 1 277.299 3.625 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3cc(Cl)cc(Cl)c32)[nH]n1 ZINC000677654866 1130321186 /nfs/dbraw/zinc/32/11/86/1130321186.db2.gz HOWGAQJBMYKICJ-CYBMUJFWSA-N 0 1 296.201 3.802 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC2(CC2)CC1 ZINC000677716473 1130322872 /nfs/dbraw/zinc/32/28/72/1130322872.db2.gz GSTVIWVVIVSDHB-LLVKDONJSA-N 0 1 251.320 3.902 20 0 CHADMN Fc1ccccc1CN1CC(Cc2ccccc2)C1 ZINC000677718159 1130323195 /nfs/dbraw/zinc/32/31/95/1130323195.db2.gz YGAGHCKBJCWIQZ-UHFFFAOYSA-N 0 1 255.336 3.500 20 0 CHADMN COc1ccc(F)cc1CN1CC(Cc2ccccc2)C1 ZINC000677717717 1130324202 /nfs/dbraw/zinc/32/42/02/1130324202.db2.gz RISSITQENURTNO-UHFFFAOYSA-N 0 1 285.362 3.509 20 0 CHADMN Fc1cccc(Cl)c1CCN1CC[C@@H](C(F)F)C1 ZINC000677731836 1130327606 /nfs/dbraw/zinc/32/76/06/1130327606.db2.gz OQVJFECZTWJLMV-SECBINFHSA-N 0 1 277.717 3.609 20 0 CHADMN Cc1cc(CN2CC3(C2)CC(F)(F)C3)c(C)s1 ZINC000677736776 1130327806 /nfs/dbraw/zinc/32/78/06/1130327806.db2.gz YWBPRUYZARIVCL-UHFFFAOYSA-N 0 1 257.349 3.596 20 0 CHADMN Cc1ccc2c(n1)N(CC1CC1)CCN([C@H]1CC[C@@H](C)C1)C2 ZINC001170144474 1130331703 /nfs/dbraw/zinc/33/17/03/1130331703.db2.gz KAAFUSAJMAWAMM-KDOFPFPSSA-N 0 1 299.462 3.611 20 0 CHADMN Cc1ccc(NCc2[nH]nc3ccccc32)c(F)c1 ZINC000677850544 1130334809 /nfs/dbraw/zinc/33/48/09/1130334809.db2.gz ORVCKESVUVJUCK-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN Cn1c2cc(Cl)ccc2nc1CN[C@@H]1CCC(F)(F)C1 ZINC000677851272 1130335280 /nfs/dbraw/zinc/33/52/80/1130335280.db2.gz WPLSVCCZAVZWJK-SNVBAGLBSA-N 0 1 299.752 3.504 20 0 CHADMN c1ccc2c(c1)n[nH]c2CNc1ccccc1N1CCCC1 ZINC000677848359 1130335705 /nfs/dbraw/zinc/33/57/05/1130335705.db2.gz BMJSSNUDYYIOCI-UHFFFAOYSA-N 0 1 292.386 3.775 20 0 CHADMN Cc1ccnc(NCc2cc(F)ncc2F)c1C1CC1 ZINC000827010876 1130337260 /nfs/dbraw/zinc/33/72/60/1130337260.db2.gz ACOZCHNNDLQACH-UHFFFAOYSA-N 0 1 275.302 3.553 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000677890696 1130338011 /nfs/dbraw/zinc/33/80/11/1130338011.db2.gz BWGBTEVFTTXQEO-CQSZACIVSA-N 0 1 291.439 3.740 20 0 CHADMN c1ccc(Oc2ccc(CN3CCC4(CC4)CC3)nn2)cc1 ZINC000677987433 1130340059 /nfs/dbraw/zinc/34/00/59/1130340059.db2.gz BVBVGQPECYAJRP-UHFFFAOYSA-N 0 1 295.386 3.645 20 0 CHADMN Cc1ccc(F)c([C@H](C)OC(=O)c2ccc3cncn3c2)c1 ZINC000790907836 1130340519 /nfs/dbraw/zinc/34/05/19/1130340519.db2.gz VKQJPYACWIVEPZ-LBPRGKRZSA-N 0 1 298.317 3.700 20 0 CHADMN Cc1cccc(OC(=O)c2ccc3cncn3c2)c1Cl ZINC000791034934 1130347235 /nfs/dbraw/zinc/34/72/35/1130347235.db2.gz NAWYORGNQDEFJE-UHFFFAOYSA-N 0 1 286.718 3.515 20 0 CHADMN Cc1nc(C2(NC[C@H]3C[C@@H]3c3ccccc3)CCCC2)no1 ZINC000678074495 1130347650 /nfs/dbraw/zinc/34/76/50/1130347650.db2.gz CWIHDDIVAOMEPF-HZPDHXFCSA-N 0 1 297.402 3.541 20 0 CHADMN CCCC(C)=CC(=O)Nc1cc2cn[nH]c2cc1C ZINC000791052497 1130349199 /nfs/dbraw/zinc/34/91/99/1130349199.db2.gz WEXVXBZMQDBWDW-POHAHGRESA-N 0 1 257.337 3.556 20 0 CHADMN COc1ccccc1C(C)(C)CN[C@@H](C)c1cscn1 ZINC000678114837 1130350420 /nfs/dbraw/zinc/35/04/20/1130350420.db2.gz OEYBEENZMUZZOK-LBPRGKRZSA-N 0 1 290.432 3.780 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cccc(N2CCCC2)c1 ZINC001240539997 1130350643 /nfs/dbraw/zinc/35/06/43/1130350643.db2.gz XMLSVWDUCMRCCA-UHFFFAOYSA-N 0 1 293.370 3.839 20 0 CHADMN COc1cc([C@@H](C)NCc2ccoc2C)ccc1F ZINC000678114579 1130350763 /nfs/dbraw/zinc/35/07/63/1130350763.db2.gz HWBJXVCVWJBKME-SNVBAGLBSA-N 0 1 263.312 3.587 20 0 CHADMN C[C@H](OC(=O)c1c(F)cc(O)cc1F)c1ccccc1 ZINC000746984755 1130353032 /nfs/dbraw/zinc/35/30/32/1130353032.db2.gz GZKBZJQYNOAICJ-VIFPVBQESA-N 0 1 278.254 3.588 20 0 CHADMN CC[C@H](OC(=O)c1c(F)cc(O)cc1F)c1ccccc1 ZINC000746984697 1130353238 /nfs/dbraw/zinc/35/32/38/1130353238.db2.gz GTQOHHYMELVPFT-AWEZNQCLSA-N 0 1 292.281 3.979 20 0 CHADMN CCn1nc(C)c(CN(C)[C@@H](C)c2ccccc2)c1C ZINC000678125763 1130354004 /nfs/dbraw/zinc/35/40/04/1130354004.db2.gz QPXAXRVYKAXTBR-AWEZNQCLSA-N 0 1 271.408 3.713 20 0 CHADMN Cc1cccc(CN(C)Cc2n[nH]c3ccccc32)c1 ZINC000678137945 1130357122 /nfs/dbraw/zinc/35/71/22/1130357122.db2.gz WISAKYLWUBNACZ-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN Cc1cccc(CN(C)Cc2[nH]nc3ccccc32)c1 ZINC000678137945 1130357134 /nfs/dbraw/zinc/35/71/34/1130357134.db2.gz WISAKYLWUBNACZ-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N(Cc1cn[nH]c1)C1CC1 ZINC000678135319 1130357460 /nfs/dbraw/zinc/35/74/60/1130357460.db2.gz LTLDRVOCIUJSBJ-NSHDSACASA-N 0 1 275.783 3.789 20 0 CHADMN C[C@H](c1cccc(C(F)(F)F)c1)N(C)Cc1cn[nH]c1 ZINC000678137900 1130357969 /nfs/dbraw/zinc/35/79/69/1130357969.db2.gz XKRDRLHKCMAQJN-SNVBAGLBSA-N 0 1 283.297 3.622 20 0 CHADMN Cn1nc(CN2CCC[C@@H]2c2ccsc2)c2ccccc21 ZINC000678140575 1130359416 /nfs/dbraw/zinc/35/94/16/1130359416.db2.gz OPUMPWJGWDEEAI-MRXNPFEDSA-N 0 1 297.427 3.972 20 0 CHADMN C[C@@H]1CC[C@H](N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC001170151244 1130359702 /nfs/dbraw/zinc/35/97/02/1130359702.db2.gz GFJPABGVNMAFLE-MFKMUULPSA-N 0 1 284.325 3.647 20 0 CHADMN Cc1nc2cccc(-c3cccc(-c4cc[nH]n4)c3)c2[nH]1 ZINC001240563208 1130361028 /nfs/dbraw/zinc/36/10/28/1130361028.db2.gz ZDWJDUAWWKCXMT-UHFFFAOYSA-N 0 1 274.327 3.928 20 0 CHADMN CCCCN(Cc1cn(C)nc1C)[C@H](C)c1ccc(C)o1 ZINC000678163042 1130362855 /nfs/dbraw/zinc/36/28/55/1130362855.db2.gz LFMFPOKTIVSDOS-OAHLLOKOSA-N 0 1 289.423 3.993 20 0 CHADMN COCCN(Cc1ccc(C)cc1C)Cc1cccnc1C ZINC000678155511 1130365104 /nfs/dbraw/zinc/36/51/04/1130365104.db2.gz URWFCNQYYYMALX-UHFFFAOYSA-N 0 1 298.430 3.655 20 0 CHADMN Cn1nc(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)c2ccccc21 ZINC000678210884 1130370924 /nfs/dbraw/zinc/37/09/24/1130370924.db2.gz AYBUIJNJALHBLB-PJPHBNEVSA-N 0 1 295.430 3.584 20 0 CHADMN CC(C)C[C@H]1CCN(Cc2ncccc2C(F)(F)F)C1 ZINC000678261111 1130380728 /nfs/dbraw/zinc/38/07/28/1130380728.db2.gz VHTFZNRFGCRZAR-GFCCVEGCSA-N 0 1 286.341 3.968 20 0 CHADMN CNc1ncc2cc(-c3cc4[nH]cnc4cc3C)ccc2n1 ZINC001240600200 1130382228 /nfs/dbraw/zinc/38/22/28/1130382228.db2.gz LWPYREJUCASHAF-UHFFFAOYSA-N 0 1 289.342 3.523 20 0 CHADMN CCCCCOc1ccc(CN(C)Cc2cn[nH]c2)cc1 ZINC000678266435 1130383528 /nfs/dbraw/zinc/38/35/28/1130383528.db2.gz PZTIAWFPEMYVMH-UHFFFAOYSA-N 0 1 287.407 3.611 20 0 CHADMN Cc1cnccc1-c1cc(F)c(CN2CCCC2)c(F)c1 ZINC001240610258 1130385273 /nfs/dbraw/zinc/38/52/73/1130385273.db2.gz JGPMYEJHNUKYJU-UHFFFAOYSA-N 0 1 288.341 3.931 20 0 CHADMN CCOC(=O)c1cccc(F)c1-c1ccc(O)c(F)c1F ZINC001243340688 1130385971 /nfs/dbraw/zinc/38/59/71/1130385971.db2.gz GLGJIJTZMJANHN-UHFFFAOYSA-N 0 1 296.244 3.653 20 0 CHADMN COc1cc(-c2ccc(C3=NCCC3)cc2)ccc1O ZINC001240615046 1130387507 /nfs/dbraw/zinc/38/75/07/1130387507.db2.gz APWVCTFOCSGLOH-UHFFFAOYSA-N 0 1 267.328 3.651 20 0 CHADMN CO[C@H](C)CN(Cc1cscc1Cl)C(C)C ZINC000678277341 1130388141 /nfs/dbraw/zinc/38/81/41/1130388141.db2.gz SQCYUAAXEJIPCT-SNVBAGLBSA-N 0 1 261.818 3.647 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1nn(C)c2ccccc12 ZINC000678279229 1130388233 /nfs/dbraw/zinc/38/82/33/1130388233.db2.gz PLAJCRMRKWOZBR-AWEZNQCLSA-N 0 1 291.398 3.520 20 0 CHADMN CN(Cc1ccsc1)Cc1cc2ccccc2[nH]1 ZINC000678279199 1130388711 /nfs/dbraw/zinc/38/87/11/1130388711.db2.gz LZIMJAVYIDBGEK-UHFFFAOYSA-N 0 1 256.374 3.861 20 0 CHADMN Cc1cc(C)c(CN2CCN(c3ccc(C)cc3C)CC2)[nH]1 ZINC001137329761 1130393917 /nfs/dbraw/zinc/39/39/17/1130393917.db2.gz NVXMLDNKXRXNCL-UHFFFAOYSA-N 0 1 297.446 3.571 20 0 CHADMN CC[C@H](C(=O)OCc1cccc(C(F)F)c1)N(CC)CC ZINC000791760994 1130400606 /nfs/dbraw/zinc/40/06/06/1130400606.db2.gz USFFOWPCNLTTOU-CQSZACIVSA-N 0 1 299.361 3.788 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1cc(-c2ccccc2)n[nH]1 ZINC000678362110 1130407992 /nfs/dbraw/zinc/40/79/92/1130407992.db2.gz RSCDTZAITORVKE-AWEZNQCLSA-N 0 1 292.386 3.631 20 0 CHADMN COc1cc(-c2ccc3nc[nH]c3c2)cc(F)c1F ZINC001240662063 1130408245 /nfs/dbraw/zinc/40/82/45/1130408245.db2.gz YGDITIPDZVIMKR-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cnccc2C)c(F)c1 ZINC000678425764 1130415252 /nfs/dbraw/zinc/41/52/52/1130415252.db2.gz CNALZMATRWPNSS-QWHCGFSZSA-N 0 1 288.366 3.950 20 0 CHADMN Cc1nc([C@@H]2CCCCN2C[C@H]2CCC[C@H](C)C2)no1 ZINC000678461803 1130419831 /nfs/dbraw/zinc/41/98/31/1130419831.db2.gz PNSHNUJIQSCYLM-QEJZJMRPSA-N 0 1 277.412 3.731 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1cccc(C(F)F)c1 ZINC001240691579 1130420645 /nfs/dbraw/zinc/42/06/45/1130420645.db2.gz PSORCLJIHRYNAQ-UHFFFAOYSA-N 0 1 263.222 3.702 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1nc3c(s1)CCC3)CC2 ZINC000678495905 1130422482 /nfs/dbraw/zinc/42/24/82/1130422482.db2.gz HDIDLKTYACLYAS-CQSZACIVSA-N 0 1 284.428 3.717 20 0 CHADMN Fc1cccc(CN2CCC[C@@H](c3cc[nH]n3)C2)c1Cl ZINC000678514538 1130423733 /nfs/dbraw/zinc/42/37/33/1130423733.db2.gz NMFXDZGWMKTOLF-LLVKDONJSA-N 0 1 293.773 3.582 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc(C)c(C)c1 ZINC001240701277 1130425989 /nfs/dbraw/zinc/42/59/89/1130425989.db2.gz UAXBXAYYCXJTHN-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN O=C(Nc1ccc(C2CC2)cc1)c1cc(F)cc2[nH]cnc21 ZINC000678572517 1130430879 /nfs/dbraw/zinc/43/08/79/1130430879.db2.gz BTESLUKSRCPQAD-UHFFFAOYSA-N 0 1 295.317 3.832 20 0 CHADMN Cc1cc(-c2noc([C@H](C)N[C@H]3CC[C@@H]3C)n2)ccc1F ZINC000792180084 1130436007 /nfs/dbraw/zinc/43/60/07/1130436007.db2.gz LFENCGVNOVAHEZ-CHIMOYNISA-N 0 1 289.354 3.633 20 0 CHADMN C[C@@H](NCCc1c(F)cccc1Cl)c1cscn1 ZINC000678599366 1130437093 /nfs/dbraw/zinc/43/70/93/1130437093.db2.gz ZENJJUIMYDLDLM-SECBINFHSA-N 0 1 284.787 3.829 20 0 CHADMN Cc1cc(CN[C@@H](c2cccs2)C2CCCC2)ncn1 ZINC000678604897 1130439295 /nfs/dbraw/zinc/43/92/95/1130439295.db2.gz NHHLCLVLIMYADL-MRXNPFEDSA-N 0 1 287.432 3.868 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H](C)c2c(C)noc2C)c(C)s1 ZINC000678603881 1130440164 /nfs/dbraw/zinc/44/01/64/1130440164.db2.gz NVHAZNQSOGHNTM-WCBMZHEXSA-N 0 1 293.436 3.819 20 0 CHADMN Cc1c(F)cccc1-c1cc(N2CCCC2)ccn1 ZINC001240729409 1130442738 /nfs/dbraw/zinc/44/27/38/1130442738.db2.gz PCLOWQSKWOTMEE-UHFFFAOYSA-N 0 1 256.324 3.796 20 0 CHADMN Fc1ccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(F)c1 ZINC000678637451 1130443496 /nfs/dbraw/zinc/44/34/96/1130443496.db2.gz IBLURMYHQNNJGU-ZIAGYGMSSA-N 0 1 295.373 3.603 20 0 CHADMN Fc1ccc(CN2CCC[C@H](C[C@H]3CCOC3)C2)c(F)c1 ZINC000678637451 1130443498 /nfs/dbraw/zinc/44/34/98/1130443498.db2.gz IBLURMYHQNNJGU-ZIAGYGMSSA-N 0 1 295.373 3.603 20 0 CHADMN CC1(C)CN(Cc2c[nH]c3ccc(F)cc23)CC(C)(C)O1 ZINC001137342899 1130444927 /nfs/dbraw/zinc/44/49/27/1130444927.db2.gz QZANAKKQIBZKRM-UHFFFAOYSA-N 0 1 290.382 3.696 20 0 CHADMN Cc1ccc([C@H](NCc2ccc(F)cn2)C2CC2)cc1 ZINC000678688668 1130445997 /nfs/dbraw/zinc/44/59/97/1130445997.db2.gz PWXIZIMBECENCF-KRWDZBQOSA-N 0 1 270.351 3.770 20 0 CHADMN F[C@H]1CCC2(C1)CCN(Cc1n[nH]c3ccccc31)CC2 ZINC001137351255 1130456999 /nfs/dbraw/zinc/45/69/99/1130456999.db2.gz VVLUPJCOKIQTJQ-ZDUSSCGKSA-N 0 1 287.382 3.667 20 0 CHADMN CN(CCCc1ccccc1)Cc1nc2c(s1)CCC2 ZINC000678815177 1130459452 /nfs/dbraw/zinc/45/94/52/1130459452.db2.gz SMFHWHNRWFPDSP-UHFFFAOYSA-N 0 1 286.444 3.696 20 0 CHADMN CCc1nn(C)cc1CN(CC)Cc1ccc(Cl)cc1 ZINC000678815205 1130459795 /nfs/dbraw/zinc/45/97/95/1130459795.db2.gz UCTJVHRMANJHIK-UHFFFAOYSA-N 0 1 291.826 3.658 20 0 CHADMN CCN(Cc1ccoc1)Cc1cn(C)nc1-c1ccccc1 ZINC000678822526 1130461779 /nfs/dbraw/zinc/46/17/79/1130461779.db2.gz GYUAXSQKLQKGJT-UHFFFAOYSA-N 0 1 295.386 3.702 20 0 CHADMN CC(C)CO[C@@H](C)c1noc(CNC(C(C)C)C(C)C)n1 ZINC000678900751 1130469189 /nfs/dbraw/zinc/46/91/89/1130469189.db2.gz XNBKMEHFCAXDDY-ZDUSSCGKSA-N 0 1 297.443 3.573 20 0 CHADMN C[C@H](Cc1ccccc1Cl)N1C[C@H](F)C[C@H]1C ZINC001170265238 1130469966 /nfs/dbraw/zinc/46/99/66/1130469966.db2.gz GIXRMNOBQNCIFN-NQBHXWOUSA-N 0 1 255.764 3.703 20 0 CHADMN C[C@H](Cc1ccccc1Cl)NCc1ncc(Cl)cn1 ZINC001170253644 1130474116 /nfs/dbraw/zinc/47/41/16/1130474116.db2.gz CAVLYCGVHHJCBX-SNVBAGLBSA-N 0 1 296.201 3.504 20 0 CHADMN CC(C)Oc1ccc(-c2cc(N3CCCCC3)ccn2)cn1 ZINC001240807310 1130481612 /nfs/dbraw/zinc/48/16/12/1130481612.db2.gz FGSMZKZGIKYRTO-UHFFFAOYSA-N 0 1 297.402 3.921 20 0 CHADMN CO[C@@H]1C[C@@H](N(C)Cc2cccc(Cl)c2F)C12CCC2 ZINC001170325204 1130482078 /nfs/dbraw/zinc/48/20/78/1130482078.db2.gz XXFDZEFFBSTBOM-ZIAGYGMSSA-N 0 1 297.801 3.869 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cc(C)cc(C)c1)CCO2 ZINC001170358124 1130484125 /nfs/dbraw/zinc/48/41/25/1130484125.db2.gz MLPHXEDYAVIEOL-UHFFFAOYSA-N 0 1 297.398 3.707 20 0 CHADMN COc1ccc2c(c1)C[C@H](Nc1nccc(C)c1C)CC2 ZINC001170408712 1130491573 /nfs/dbraw/zinc/49/15/73/1130491573.db2.gz JUEITPRKCVTXFF-MRXNPFEDSA-N 0 1 282.387 3.676 20 0 CHADMN COc1ccc2c(c1)C[C@@H](Nc1nccc(C)c1C)CC2 ZINC001170408711 1130491674 /nfs/dbraw/zinc/49/16/74/1130491674.db2.gz JUEITPRKCVTXFF-INIZCTEOSA-N 0 1 282.387 3.676 20 0 CHADMN CC(C)c1cccc(-c2ccc(N3CCN(C)CC3)cc2)n1 ZINC001240849451 1130493401 /nfs/dbraw/zinc/49/34/01/1130493401.db2.gz NMISUOIYBQNDLC-UHFFFAOYSA-N 0 1 295.430 3.624 20 0 CHADMN C=COc1ccc(-c2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001240854317 1130493412 /nfs/dbraw/zinc/49/34/12/1130493412.db2.gz GHXOZQHUZFOSKI-UHFFFAOYSA-N 0 1 294.398 3.628 20 0 CHADMN c1nc2ccc(CNc3nc4ccccc4s3)cc2[nH]1 ZINC000679117704 1130494563 /nfs/dbraw/zinc/49/45/63/1130494563.db2.gz PCZWBXLHAASLQL-UHFFFAOYSA-N 0 1 280.356 3.785 20 0 CHADMN CC[C@@H](Nc1cnn(-c2ccncc2)c1)c1ccccc1 ZINC000679126605 1130495321 /nfs/dbraw/zinc/49/53/21/1130495321.db2.gz XLUIZDDITCDLQH-QGZVFWFLSA-N 0 1 278.359 3.831 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2Nc1cnn(-c2ccncc2)c1 ZINC000679127282 1130495831 /nfs/dbraw/zinc/49/58/31/1130495831.db2.gz LCEGVGNCIBYKNE-KRWDZBQOSA-N 0 1 294.333 3.506 20 0 CHADMN COc1ccc(-c2cc3nc[nH]c3c(C)c2)cc1C ZINC001240864523 1130496621 /nfs/dbraw/zinc/49/66/21/1130496621.db2.gz YPJPZQUMMMOJFN-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN COc1ccc(-c2cccc3nc(C)[nH]c32)cc1C ZINC001240865103 1130496871 /nfs/dbraw/zinc/49/68/71/1130496871.db2.gz NUPDOERCKXIQFP-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN CC(C)n1nccc1CN1Cc2ccccc2[C@H](C)C1 ZINC000792778701 1130499350 /nfs/dbraw/zinc/49/93/50/1130499350.db2.gz ZJBOUXCDIJPXOI-CQSZACIVSA-N 0 1 269.392 3.583 20 0 CHADMN CC(C)Oc1cccc(CNCc2ccnn2C(C)C)c1 ZINC000792921997 1130507741 /nfs/dbraw/zinc/50/77/41/1130507741.db2.gz UJSALTILMFDUIN-UHFFFAOYSA-N 0 1 287.407 3.541 20 0 CHADMN CC[C@H](C)Oc1cc(CN2CC=CCC2)ccc1OC ZINC000679358640 1130519717 /nfs/dbraw/zinc/51/97/17/1130519717.db2.gz JUSWWFDOVGZYRZ-AWEZNQCLSA-N 0 1 275.392 3.634 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1ccc(OC(C)(C)C)cc1 ZINC000679361231 1130522629 /nfs/dbraw/zinc/52/26/29/1130522629.db2.gz MYMDMVQXXUITRU-GFCCVEGCSA-N 0 1 287.407 3.746 20 0 CHADMN Fc1ccc(C2=CC[C@@H](NCc3ccon3)CC2)cc1 ZINC000679388248 1130524848 /nfs/dbraw/zinc/52/48/48/1130524848.db2.gz NZNJKQWOTHMMGW-OAHLLOKOSA-N 0 1 272.323 3.539 20 0 CHADMN CC[C@](C)(NCc1ccc(O)cc1)c1nc(C)cs1 ZINC000679393605 1130526436 /nfs/dbraw/zinc/52/64/36/1130526436.db2.gz CJWAORNFSKBQKU-HNNXBMFYSA-N 0 1 276.405 3.572 20 0 CHADMN Cc1c[nH]c2ncc(-c3cc(N4CCCC4)ccn3)cc12 ZINC001240949133 1130530250 /nfs/dbraw/zinc/53/02/50/1130530250.db2.gz HQPGETKYGXQDAS-UHFFFAOYSA-N 0 1 278.359 3.534 20 0 CHADMN C[C@@H]1C[C@@H](NC(C)(C)C(F)F)CN(Cc2ccccc2)C1 ZINC000793253560 1130535850 /nfs/dbraw/zinc/53/58/50/1130535850.db2.gz ATOYFRHKFCIYAF-UKRRQHHQSA-N 0 1 296.405 3.530 20 0 CHADMN C[C@@H]1C[C@H](NC(C)(C)C(F)F)CN(Cc2ccccc2)C1 ZINC000793253557 1130536269 /nfs/dbraw/zinc/53/62/69/1130536269.db2.gz ATOYFRHKFCIYAF-HIFRSBDPSA-N 0 1 296.405 3.530 20 0 CHADMN Fc1ncccc1CNCc1cccc(-c2cccnc2)c1 ZINC000793289851 1130538235 /nfs/dbraw/zinc/53/82/35/1130538235.db2.gz PTHLKERDELFHPN-UHFFFAOYSA-N 0 1 293.345 3.573 20 0 CHADMN Cc1cccc(CN2C[C@@H](C(F)(F)F)CC[C@H]2C)n1 ZINC000679543856 1130538279 /nfs/dbraw/zinc/53/82/79/1130538279.db2.gz FQAJTNSVPGKDOB-NEPJUHHUSA-N 0 1 272.314 3.553 20 0 CHADMN CCN(C(=O)CCc1cnc[nH]1)c1ccc2ccccc2c1 ZINC000793298955 1130539018 /nfs/dbraw/zinc/53/90/18/1130539018.db2.gz ZTNWXQWLACNAAT-UHFFFAOYSA-N 0 1 293.370 3.549 20 0 CHADMN C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(F)cc1 ZINC000679547229 1130539934 /nfs/dbraw/zinc/53/99/34/1130539934.db2.gz ZZIJVFSBVFNENN-PWSUYJOCSA-N 0 1 275.289 3.989 20 0 CHADMN CCc1nn(C)c(Cl)c1CN(C)[C@H]1CCC(C)(C)C1 ZINC000793357001 1130545184 /nfs/dbraw/zinc/54/51/84/1130545184.db2.gz KGHNXRODWJBNMX-NSHDSACASA-N 0 1 283.847 3.646 20 0 CHADMN CSc1ccccc1CN1CC[C@H](C)[C@H](F)C1 ZINC000679674501 1130551112 /nfs/dbraw/zinc/55/11/12/1130551112.db2.gz UCKUWYVEULRCFO-WCQYABFASA-N 0 1 253.386 3.588 20 0 CHADMN Cc1ccc(Br)c(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c1 ZINC001137385821 1130552214 /nfs/dbraw/zinc/55/22/14/1130552214.db2.gz DPJSGHNUAAIMBM-OBJOEFQTSA-N 0 1 298.199 3.690 20 0 CHADMN c1ccc2oc(CNCCCOC3CCCCC3)nc2c1 ZINC000679763168 1130555834 /nfs/dbraw/zinc/55/58/34/1130555834.db2.gz BQEXTWDLZLSICQ-UHFFFAOYSA-N 0 1 288.391 3.657 20 0 CHADMN CN(C)Cc1cc(-c2ccc(F)c(F)c2F)ccc1F ZINC001240994178 1130557366 /nfs/dbraw/zinc/55/73/66/1130557366.db2.gz ZGUVLICEMWMGIE-UHFFFAOYSA-N 0 1 283.268 3.972 20 0 CHADMN C[C@H]1CC[C@@]2(CCN(Cc3noc4c3CCCC4)C2)C1 ZINC000679834157 1130558763 /nfs/dbraw/zinc/55/87/63/1130558763.db2.gz UBRYISAUJWHEDT-SUMWQHHRSA-N 0 1 274.408 3.566 20 0 CHADMN C[C@H]1CC[C@]2(CCN(Cc3noc4c3CCCC4)C2)C1 ZINC000679834156 1130559127 /nfs/dbraw/zinc/55/91/27/1130559127.db2.gz UBRYISAUJWHEDT-GUYCJALGSA-N 0 1 274.408 3.566 20 0 CHADMN C[C@H]1COc2ccccc2CN1Cc1cccc(N(C)C)c1 ZINC000679872818 1130560911 /nfs/dbraw/zinc/56/09/11/1130560911.db2.gz RPXFAJMCPVBHGD-HNNXBMFYSA-N 0 1 296.414 3.536 20 0 CHADMN COc1ccccc1-c1ccnc(-c2ccccc2O)n1 ZINC001241008684 1130562896 /nfs/dbraw/zinc/56/28/96/1130562896.db2.gz JOLQDMMBGUOSGV-UHFFFAOYSA-N 0 1 278.311 3.525 20 0 CHADMN CCCCC/C(=C\c1ccccc1)CNCc1cn(C)nn1 ZINC000679932411 1130563683 /nfs/dbraw/zinc/56/36/83/1130563683.db2.gz DGHJBIMMICTKMS-SFQUDFHCSA-N 0 1 298.434 3.569 20 0 CHADMN COc1c(C)cc(-c2cccc3nc[nH]c32)cc1C ZINC001241017212 1130569372 /nfs/dbraw/zinc/56/93/72/1130569372.db2.gz UOIZXCXMEBNFHH-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCCc3ccc(F)cc32)n(C)n1 ZINC000793567731 1130571255 /nfs/dbraw/zinc/57/12/55/1130571255.db2.gz PMEUBRDNAZVURY-BLLLJJGKSA-N 0 1 287.382 3.596 20 0 CHADMN O=C(c1cc(C2CCCCC2)[nH]n1)N1CCCCCCC1 ZINC000758166385 1130602358 /nfs/dbraw/zinc/60/23/58/1130602358.db2.gz VLQYPKYYAHCHKM-UHFFFAOYSA-N 0 1 289.423 3.864 20 0 CHADMN CN(C)c1ccnc(Cl)c1CN1CCC[C@@H]2CCC[C@H]21 ZINC001234143589 1130611478 /nfs/dbraw/zinc/61/14/78/1130611478.db2.gz TZVVVYZUGIQSFV-GXTWGEPZSA-N 0 1 293.842 3.566 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2c(Cl)nccc2N(C)C)CC1 ZINC001234157965 1130612749 /nfs/dbraw/zinc/61/27/49/1130612749.db2.gz LBUSNSNFQAVKLL-JOCQHMNTSA-N 0 1 295.858 3.812 20 0 CHADMN CC1=CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000759231792 1130646380 /nfs/dbraw/zinc/64/63/80/1130646380.db2.gz OJFZLBIIJKZEED-CQSZACIVSA-N 0 1 286.202 3.679 20 0 CHADMN Cc1nccc(N(C)[C@H](C)Cc2ccc(O)cc2)c1Cl ZINC000811814723 1130650650 /nfs/dbraw/zinc/65/06/50/1130650650.db2.gz ROSPQTKPKNIQFS-LLVKDONJSA-N 0 1 290.794 3.816 20 0 CHADMN CC(C)C[C@@H]1CCCN(Cc2cccc(Cl)n2)C1 ZINC000759390453 1130654441 /nfs/dbraw/zinc/65/44/41/1130654441.db2.gz DFJFHJBXTNABJU-ZDUSSCGKSA-N 0 1 266.816 3.993 20 0 CHADMN CCCCCC[C@H](O)CN[C@H](CC)c1nccs1 ZINC000759437832 1130658680 /nfs/dbraw/zinc/65/86/80/1130658680.db2.gz RIWVLBHDGWDPGX-QWHCGFSZSA-N 0 1 270.442 3.515 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)C(F)=C1CCCC1 ZINC000759714183 1130671999 /nfs/dbraw/zinc/67/19/99/1130671999.db2.gz WSGLKKJKARMEHU-UHFFFAOYSA-N 0 1 269.703 3.782 20 0 CHADMN CC/C=C(/C)C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001133189887 1130672115 /nfs/dbraw/zinc/67/21/15/1130672115.db2.gz HUYWKSGTEZRLKT-YWEYNIOJSA-N 0 1 263.728 3.511 20 0 CHADMN CC(C)(C)N1CC(Oc2cccc3cc(F)ccc32)C1 ZINC001234846652 1130680953 /nfs/dbraw/zinc/68/09/53/1130680953.db2.gz QTPDOYFUQYHMGJ-UHFFFAOYSA-N 0 1 273.351 3.840 20 0 CHADMN CCN1CCC[C@@H](Oc2cc(Cl)cc(Cl)c2F)C1 ZINC001234928733 1130692462 /nfs/dbraw/zinc/69/24/62/1130692462.db2.gz FMLXPSAVUHNURW-SNVBAGLBSA-N 0 1 292.181 3.996 20 0 CHADMN Cc1cc(Cl)ncc1-c1cc2nc[nH]c2cc1F ZINC001244916241 1130705741 /nfs/dbraw/zinc/70/57/41/1130705741.db2.gz KVRAAKDAAPRORA-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN CCC[C@@H](C)C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001133402854 1130707410 /nfs/dbraw/zinc/70/74/10/1130707410.db2.gz YPRUPZORYPWGMT-MRVPVSSYSA-N 0 1 265.744 3.591 20 0 CHADMN CCC/C(C)=C\C(=O)Nc1cc(C(=O)CC)ccc1O ZINC000812706609 1130707899 /nfs/dbraw/zinc/70/78/99/1130707899.db2.gz USPLEQDJMFAKAH-LUAWRHEFSA-N 0 1 275.348 3.670 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C(F)=C2CCCC2)c1 ZINC000812705986 1130708617 /nfs/dbraw/zinc/70/86/17/1130708617.db2.gz HGMDCZUTVGMZBK-UHFFFAOYSA-N 0 1 291.322 3.721 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1ccc(Oc2cccnc2)cc1 ZINC001235111384 1130712051 /nfs/dbraw/zinc/71/20/51/1130712051.db2.gz HRRVZIQESBNIQE-HIFRSBDPSA-N 0 1 286.350 3.806 20 0 CHADMN CC(C)[C@@H](C(=O)NOC1CCC1)c1cccc(Cl)c1 ZINC000812790768 1130714409 /nfs/dbraw/zinc/71/44/09/1130714409.db2.gz HGNUIOYOGRPYFY-CQSZACIVSA-N 0 1 281.783 3.680 20 0 CHADMN CN(C)c1ccnc(-c2ccc(F)c3ccoc32)c1 ZINC001244929622 1130715054 /nfs/dbraw/zinc/71/50/54/1130715054.db2.gz WIIVQNQDFMQMDW-UHFFFAOYSA-N 0 1 256.280 3.700 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@@](C)(F)CC2)c(F)c1 ZINC001235191990 1130722317 /nfs/dbraw/zinc/72/23/17/1130722317.db2.gz FAKOPBMSVLBRTJ-OAHLLOKOSA-N 0 1 271.326 3.987 20 0 CHADMN Cc1cc(F)c(CN(CC2CC2)C2CC2)c(F)c1 ZINC001235199056 1130723150 /nfs/dbraw/zinc/72/31/50/1130723150.db2.gz RTDYPZJPHIBFLH-UHFFFAOYSA-N 0 1 251.320 3.648 20 0 CHADMN COCC[C@@H]1CCCCN1Cc1c(F)cc(C)cc1F ZINC001235195926 1130723435 /nfs/dbraw/zinc/72/34/35/1130723435.db2.gz XXQIXXSYWYRCCY-ZDUSSCGKSA-N 0 1 283.362 3.664 20 0 CHADMN CN(C/C=C/Cl)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812882008 1130723443 /nfs/dbraw/zinc/72/34/43/1130723443.db2.gz JKWRYMKOSLFWDM-WQFVMHTJSA-N 0 1 255.711 3.792 20 0 CHADMN Cc1ccc(-c2cccc(CN3CCO[C@H](C)C3)c2)cc1 ZINC001235307551 1130732825 /nfs/dbraw/zinc/73/28/25/1130732825.db2.gz AWHNEFTUOSVEKU-MRXNPFEDSA-N 0 1 281.399 3.883 20 0 CHADMN Cc1cnc(F)c(CN2CCC(c3ccccc3)CC2)c1 ZINC001235329251 1130733487 /nfs/dbraw/zinc/73/34/87/1130733487.db2.gz QXWGHEIFQSTAKS-UHFFFAOYSA-N 0 1 284.378 3.909 20 0 CHADMN CC(C)Oc1ccnc(N(C)[C@H]2CCc3ccccc32)c1 ZINC001158920598 1130739954 /nfs/dbraw/zinc/73/99/54/1130739954.db2.gz DFQSSGASXFBBHZ-KRWDZBQOSA-N 0 1 282.387 3.993 20 0 CHADMN Cc1cc(OC(C)C)ncc1CN1CCC(C)(F)CC1 ZINC001235417886 1130740879 /nfs/dbraw/zinc/74/08/79/1130740879.db2.gz NTPHKHIMIUGHPV-UHFFFAOYSA-N 0 1 280.387 3.501 20 0 CHADMN COc1cc(C[N@H+]2CCC[C@H]2C(C)C)cc(F)c1F ZINC001235436115 1130744459 /nfs/dbraw/zinc/74/44/59/1130744459.db2.gz CBXKOVFIQADCMC-ZDUSSCGKSA-N 0 1 269.335 3.594 20 0 CHADMN COc1cc(CN2CCCCCCC2)cc(F)c1F ZINC001235452459 1130745275 /nfs/dbraw/zinc/74/52/75/1130745275.db2.gz VHOGYVLUQQYBAN-UHFFFAOYSA-N 0 1 269.335 3.740 20 0 CHADMN COc1cc(CN2CCC[C@@H]3CCC[C@H]32)cc(F)c1F ZINC001235450406 1130745963 /nfs/dbraw/zinc/74/59/63/1130745963.db2.gz FUTGIQDMPRFLPR-GXTWGEPZSA-N 0 1 281.346 3.738 20 0 CHADMN CCc1ccc(CN(C)Cc2cncc(OC)c2C)cc1 ZINC001235472126 1130746595 /nfs/dbraw/zinc/74/65/95/1130746595.db2.gz ZYLFNTDFNRXRTI-UHFFFAOYSA-N 0 1 284.403 3.593 20 0 CHADMN Clc1cc2c(CN3CCc4ccccc4C3)c[nH]c2cn1 ZINC001235501594 1130749037 /nfs/dbraw/zinc/74/90/37/1130749037.db2.gz CNINSVWYURAFCK-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN Clc1cc2c(CN3CC4(C3)CCCC4)c[nH]c2cn1 ZINC001235509349 1130750446 /nfs/dbraw/zinc/75/04/46/1130750446.db2.gz WUGAYPZFEXHIJY-UHFFFAOYSA-N 0 1 275.783 3.592 20 0 CHADMN CCC1CCN(Cc2nccc(C)c2Cl)CC1 ZINC001235577345 1130755271 /nfs/dbraw/zinc/75/52/71/1130755271.db2.gz QXMSQRWKTMNSAU-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN Cc1ccnc(CN2CCC23CCCC3)c1Cl ZINC001235575945 1130756553 /nfs/dbraw/zinc/75/65/53/1130756553.db2.gz HROINCMSJQCJSX-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN CCCN(C)Cc1cccc(Br)c1Cl ZINC001235595053 1130756996 /nfs/dbraw/zinc/75/69/96/1130756996.db2.gz WVPANMSWNQDURT-UHFFFAOYSA-N 0 1 276.605 3.944 20 0 CHADMN Cc1ccnc(CN2CC[C@H](C)C[C@H]2C)c1Cl ZINC001235587203 1130757660 /nfs/dbraw/zinc/75/76/60/1130757660.db2.gz ZVDYHYZJWMOCNT-CMPLNLGQSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1ccnc(CN2C3CCCC2CCC3)c1Cl ZINC001235595596 1130757761 /nfs/dbraw/zinc/75/77/61/1130757761.db2.gz OUOQXHKEZIUNIP-UHFFFAOYSA-N 0 1 264.800 3.950 20 0 CHADMN Cc1ccnc(CN2C[C@H](C)C[C@@H](C)C2)c1Cl ZINC001235589582 1130757859 /nfs/dbraw/zinc/75/78/59/1130757859.db2.gz WGUGJGHEGWADEG-GHMZBOCLSA-N 0 1 252.789 3.521 20 0 CHADMN C[C@@H]1CCCN(Cc2cccn2C(=O)OC(C)(C)C)C1 ZINC001235627306 1130760726 /nfs/dbraw/zinc/76/07/26/1130760726.db2.gz XTISNMVIENYZTM-CYBMUJFWSA-N 0 1 278.396 3.503 20 0 CHADMN Cc1cncc(Br)c1CN1CC[C@H](C)C[C@@H]1C ZINC001235647829 1130760834 /nfs/dbraw/zinc/76/08/34/1130760834.db2.gz SOXAOBYKPLHQPI-JQWIXIFHSA-N 0 1 297.240 3.773 20 0 CHADMN c1ccc(-c2ccncc2)c(CN2CCOCC23CCC3)c1 ZINC001235627948 1130761352 /nfs/dbraw/zinc/76/13/52/1130761352.db2.gz LHCQMSATFQCWRG-UHFFFAOYSA-N 0 1 294.398 3.504 20 0 CHADMN Fc1cc(Cl)c(-c2cccc3cncn32)cc1F ZINC001245017453 1130763558 /nfs/dbraw/zinc/76/35/58/1130763558.db2.gz BJAZJOOCECNZOH-UHFFFAOYSA-N 0 1 264.662 3.933 20 0 CHADMN COc1ccc(F)c(CN2CC[C@@H](C)C(F)(F)CC2)c1 ZINC001137991335 1130770176 /nfs/dbraw/zinc/77/01/76/1130770176.db2.gz GBALERQRVWOTRC-LLVKDONJSA-N 0 1 287.325 3.702 20 0 CHADMN Oc1ccc(Cl)cc1-c1ccc(-c2ccncc2)nn1 ZINC001245048832 1130772930 /nfs/dbraw/zinc/77/29/30/1130772930.db2.gz AVXIYWPLBOUSGU-UHFFFAOYSA-N 0 1 283.718 3.565 20 0 CHADMN C[C@@]1(CF)CCN(Cc2ccc(Cl)c(F)c2)C1 ZINC001137649526 1130780681 /nfs/dbraw/zinc/78/06/81/1130780681.db2.gz GRHPJGAPSUGKCP-ZDUSSCGKSA-N 0 1 259.727 3.661 20 0 CHADMN CCCOC1CCN(Cc2ccc(F)c(OCC)c2)CC1 ZINC001235800481 1130780182 /nfs/dbraw/zinc/78/01/82/1130780182.db2.gz NYMKZDUDSHGVJR-UHFFFAOYSA-N 0 1 295.398 3.615 20 0 CHADMN Cc1cc(CN2CCCC[C@@H](C)C2)cnc1Br ZINC001235818319 1130782732 /nfs/dbraw/zinc/78/27/32/1130782732.db2.gz FITAVBIGKADSEO-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN CC(C)c1ccccc1CNCc1cccc2c1OCO2 ZINC000782539065 1130782844 /nfs/dbraw/zinc/78/28/44/1130782844.db2.gz FOHAATVJWAQZOS-UHFFFAOYSA-N 0 1 283.371 3.829 20 0 CHADMN COc1nccc(CN2C3CCCC2CCC3)c1Cl ZINC001235837658 1130785806 /nfs/dbraw/zinc/78/58/06/1130785806.db2.gz KIZUKSNVQZLBQW-UHFFFAOYSA-N 0 1 280.799 3.651 20 0 CHADMN Cc1cc2[nH]ccc2c(-c2ccc(O)cc2Cl)n1 ZINC001245077973 1130788965 /nfs/dbraw/zinc/78/89/65/1130788965.db2.gz KOQLMCJQDUSBGY-UHFFFAOYSA-N 0 1 258.708 3.897 20 0 CHADMN COc1ccccc1[C@H](N[C@H]1CC[C@@H]1C)c1ccco1 ZINC000783255844 1130807733 /nfs/dbraw/zinc/80/77/33/1130807733.db2.gz YTVDAEAHMOZAHM-JDFRZJQESA-N 0 1 271.360 3.766 20 0 CHADMN COc1ccc(F)c(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235996096 1130824893 /nfs/dbraw/zinc/82/48/93/1130824893.db2.gz SSEUWMFNYRNZNM-UHFFFAOYSA-N 0 1 272.197 3.624 20 0 CHADMN Cc1cc2ncccc2nc1-c1c(F)cc(F)c(O)c1F ZINC001235995152 1130826044 /nfs/dbraw/zinc/82/60/44/1130826044.db2.gz XCPUQSNKZVRLQA-UHFFFAOYSA-N 0 1 290.244 3.728 20 0 CHADMN Cc1ccc(F)cc1-c1c(F)cc(F)c(O)c1F ZINC001235999088 1130826745 /nfs/dbraw/zinc/82/67/45/1130826745.db2.gz XNCYKVJQLRYFBF-UHFFFAOYSA-N 0 1 256.198 3.924 20 0 CHADMN Cc1cc2c(nccc2-c2c(F)cc(F)c(O)c2F)[nH]1 ZINC001235999075 1130827144 /nfs/dbraw/zinc/82/71/44/1130827144.db2.gz WWJFOUPVOPLZOI-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN COc1ccc(-c2c(F)cc(F)c(O)c2F)c(F)c1 ZINC001235998377 1130827671 /nfs/dbraw/zinc/82/76/71/1130827671.db2.gz MPWCNDGVUSEWPN-UHFFFAOYSA-N 0 1 272.197 3.624 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccnc(C3CC3)c2)c1F ZINC001236002361 1130829225 /nfs/dbraw/zinc/82/92/25/1130829225.db2.gz NHELUHFOMDNVJR-UHFFFAOYSA-N 0 1 265.234 3.749 20 0 CHADMN Fc1c(CN2CCCCC2)cccc1-c1nccs1 ZINC001236012141 1130831373 /nfs/dbraw/zinc/83/13/73/1130831373.db2.gz LEQQJLVQGZDUOB-UHFFFAOYSA-N 0 1 276.380 3.935 20 0 CHADMN CC(C)(C(=O)NOCCC1CCCC1)c1ccccc1 ZINC000783558450 1130838173 /nfs/dbraw/zinc/83/81/73/1130838173.db2.gz OWNNYFPLHNEPOQ-UHFFFAOYSA-N 0 1 275.392 3.592 20 0 CHADMN Cc1ccccc1[C@@H](C)OC(=O)c1c(F)cc(O)cc1F ZINC000783719270 1130851569 /nfs/dbraw/zinc/85/15/69/1130851569.db2.gz YOITXVFSOREOSQ-SNVBAGLBSA-N 0 1 292.281 3.897 20 0 CHADMN Cc1cc(CN2CCc3cc(N)ccc3C2)ccc1Cl ZINC001236106688 1130865947 /nfs/dbraw/zinc/86/59/47/1130865947.db2.gz VSCNAWDCIYPYOV-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN CC(C)(C)c1nnc(COC(=O)CCCC2CCCC2)[nH]1 ZINC000814458912 1130875254 /nfs/dbraw/zinc/87/52/54/1130875254.db2.gz XRNGMWDAHPMBFO-UHFFFAOYSA-N 0 1 293.411 3.506 20 0 CHADMN CC(C)(C)c1nc(COC(=O)CCCC2CCCC2)n[nH]1 ZINC000814458912 1130875260 /nfs/dbraw/zinc/87/52/60/1130875260.db2.gz XRNGMWDAHPMBFO-UHFFFAOYSA-N 0 1 293.411 3.506 20 0 CHADMN CN[C@H]1CCN1Cc1ccc(Oc2ccccc2)c(C)c1 ZINC001236167203 1130877829 /nfs/dbraw/zinc/87/78/29/1130877829.db2.gz MUIONHAYOCNDLN-GOSISDBHSA-N 0 1 282.387 3.539 20 0 CHADMN CN[C@H]1CCN1Cc1ccc(-c2ccccc2)cc1Cl ZINC001236167365 1130878084 /nfs/dbraw/zinc/87/80/84/1130878084.db2.gz NUUPWOPSSUZLFK-QGZVFWFLSA-N 0 1 286.806 3.758 20 0 CHADMN CN[C@H]1CCN1Cc1cccc(-c2c(C)cccc2C)c1 ZINC001236167371 1130878336 /nfs/dbraw/zinc/87/83/36/1130878336.db2.gz NXZQOMAYODLGAO-GOSISDBHSA-N 0 1 280.415 3.722 20 0 CHADMN COc1cc(-c2cccc3nc(C)[nH]c32)cc(C)c1F ZINC001236191980 1130883242 /nfs/dbraw/zinc/88/32/42/1130883242.db2.gz OXFKVORYONCGCA-UHFFFAOYSA-N 0 1 270.307 3.994 20 0 CHADMN C[C@@H](c1cccnc1)N(C)Cc1cncc2ccccc21 ZINC000784222570 1130891884 /nfs/dbraw/zinc/89/18/84/1130891884.db2.gz KWEAFHHETGOWNC-AWEZNQCLSA-N 0 1 277.371 3.823 20 0 CHADMN COc1cc(C)cc(F)c1-c1cccc2nc[nH]c21 ZINC001236223051 1130896612 /nfs/dbraw/zinc/89/66/12/1130896612.db2.gz RDRNTROCLKEOLJ-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Cl)nc2)CC(C)(C)C1 ZINC000784348161 1130899052 /nfs/dbraw/zinc/89/90/52/1130899052.db2.gz HDMXTKIWKAOTDX-NSHDSACASA-N 0 1 252.789 3.603 20 0 CHADMN CN(C)Cc1cccc(C2=CC[C@H](C(F)(F)F)CC2)n1 ZINC001236250464 1130906429 /nfs/dbraw/zinc/90/64/29/1130906429.db2.gz WXPDEHYYEASUEX-LBPRGKRZSA-N 0 1 284.325 3.889 20 0 CHADMN CC(C)C(=O)Nc1ccc(-c2cc3nc[nH]c3cc2F)cc1 ZINC001236270020 1130910022 /nfs/dbraw/zinc/91/00/22/1130910022.db2.gz WZFOPVVGZBATFY-UHFFFAOYSA-N 0 1 297.333 3.964 20 0 CHADMN COc1cc(OC(F)(F)F)ccc1-c1cc(N)c(C)cn1 ZINC001236380188 1130923635 /nfs/dbraw/zinc/92/36/35/1130923635.db2.gz GCOWMXYSYYDTMQ-UHFFFAOYSA-N 0 1 298.264 3.546 20 0 CHADMN Cc1c(-c2cc3nc[nH]c3cc2F)cnn1-c1ccccc1 ZINC001236403300 1130928450 /nfs/dbraw/zinc/92/84/50/1130928450.db2.gz DWBISKRSVPDIER-UHFFFAOYSA-N 0 1 292.317 3.863 20 0 CHADMN C[C@@H](N[C@@H](CC1CC1)c1ccccc1)c1ncc[nH]1 ZINC000796879538 1130942611 /nfs/dbraw/zinc/94/26/11/1130942611.db2.gz KUBUPQZGBWFDSX-DOMZBBRYSA-N 0 1 255.365 3.602 20 0 CHADMN Cc1nc(C(C)C)ccc1CN1CC[C@H](C(F)(F)F)C1 ZINC000815079037 1130956016 /nfs/dbraw/zinc/95/60/16/1130956016.db2.gz LHOIERIMAOBGAY-ZDUSSCGKSA-N 0 1 286.341 3.898 20 0 CHADMN C[C@@H](NCC1(C(F)(F)F)CC1)c1cccnc1Cl ZINC000797072597 1130958690 /nfs/dbraw/zinc/95/86/90/1130958690.db2.gz ZVIXSBJDXHVTEY-MRVPVSSYSA-N 0 1 278.705 3.728 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cnn(C)c1Cl)C(C)C ZINC000815123924 1130959861 /nfs/dbraw/zinc/95/98/61/1130959861.db2.gz KDPIHJCKYZEMEX-HNNXBMFYSA-N 0 1 291.826 3.869 20 0 CHADMN COC1(CNCc2c(F)cc(F)cc2F)CCCCC1 ZINC000815152690 1130962017 /nfs/dbraw/zinc/96/20/17/1130962017.db2.gz RSVFQBJYENRLSO-UHFFFAOYSA-N 0 1 287.325 3.543 20 0 CHADMN CCn1ccnc1[C@H]1CCCCN1CCSC(C)(C)C ZINC000815105719 1130962089 /nfs/dbraw/zinc/96/20/89/1130962089.db2.gz QYRHCGIBXJZTST-CQSZACIVSA-N 0 1 295.496 3.962 20 0 CHADMN C[C@H](CSC(C)(C)C)N[C@@H](C)c1c(F)cncc1F ZINC000797125673 1130964252 /nfs/dbraw/zinc/96/42/52/1130964252.db2.gz JYKHZXYRFOCELG-ZJUUUORDSA-N 0 1 288.407 3.931 20 0 CHADMN Cc1nc(C)c(C[N@@H+](Cc2ccccc2)C2CCC2)o1 ZINC001236597667 1130982418 /nfs/dbraw/zinc/98/24/18/1130982418.db2.gz RBODOJLLFWXEOX-UHFFFAOYSA-N 0 1 270.376 3.846 20 0 CHADMN Cc1nc(C)c(CN(Cc2ccccc2)C2CCC2)o1 ZINC001236597667 1130982424 /nfs/dbraw/zinc/98/24/24/1130982424.db2.gz RBODOJLLFWXEOX-UHFFFAOYSA-N 0 1 270.376 3.846 20 0 CHADMN Clc1nccnc1CN1CC[C@@H](C2CCCCC2)C1 ZINC001236621078 1130985950 /nfs/dbraw/zinc/98/59/50/1130985950.db2.gz NJUBNTILZKRRPF-CYBMUJFWSA-N 0 1 279.815 3.532 20 0 CHADMN Cc1cc(Cl)cc(CN2CC[C@H](C)C(F)(F)CC2)n1 ZINC001236637728 1130986713 /nfs/dbraw/zinc/98/67/13/1130986713.db2.gz APZPKYCYWQIHKF-JTQLQIEISA-N 0 1 288.769 3.911 20 0 CHADMN Cc1cc(Cl)cc(CN2CCC[C@](C)(F)CC2)n1 ZINC001236639726 1130986760 /nfs/dbraw/zinc/98/67/60/1130986760.db2.gz LVAVIMWTOBDZBO-AWEZNQCLSA-N 0 1 270.779 3.758 20 0 CHADMN Cc1cc(Cl)cc(CN2CCCC3(CCC3)C2)n1 ZINC001236651041 1130988451 /nfs/dbraw/zinc/98/84/51/1130988451.db2.gz LGZQHZJLLAYITR-UHFFFAOYSA-N 0 1 264.800 3.810 20 0 CHADMN CC1=C(Br)CN(CCc2ccccc2)CC1 ZINC000797528672 1130991496 /nfs/dbraw/zinc/99/14/96/1130991496.db2.gz XUGZQHFMXLAURJ-UHFFFAOYSA-N 0 1 280.209 3.604 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1cccc2sccc21 ZINC001236690166 1130994053 /nfs/dbraw/zinc/99/40/53/1130994053.db2.gz QPHIMERIZXGRGM-OAHLLOKOSA-N 0 1 273.401 3.845 20 0 CHADMN Oc1cc(CN2CCC[C@@H]2c2ccccc2)ccc1F ZINC001236706137 1130995344 /nfs/dbraw/zinc/99/53/44/1130995344.db2.gz TYBDZXRGHPUXLV-MRXNPFEDSA-N 0 1 271.335 3.868 20 0 CHADMN Cc1cc(CN2CC[C@@H]2Cc2ccccc2)cc(Cl)n1 ZINC000797592333 1130996623 /nfs/dbraw/zinc/99/66/23/1130996623.db2.gz VBSVHMYPBULWNG-MRXNPFEDSA-N 0 1 286.806 3.860 20 0 CHADMN CCCC[N@H+](CC)Cc1ccc(Br)c([O-])c1 ZINC001236692351 1130996864 /nfs/dbraw/zinc/99/68/64/1130996864.db2.gz ONELXJPLBBUBLU-UHFFFAOYSA-N 0 1 286.213 3.777 20 0 CHADMN CCCC[N@@H+](CC)Cc1ccc(Br)c([O-])c1 ZINC001236692351 1130996865 /nfs/dbraw/zinc/99/68/65/1130996865.db2.gz ONELXJPLBBUBLU-UHFFFAOYSA-N 0 1 286.213 3.777 20 0 CHADMN Cc1c(F)ccc(CN(C)CCc2ccccn2)c1Cl ZINC001236714575 1130997326 /nfs/dbraw/zinc/99/73/26/1130997326.db2.gz UXWTZGZPUZZEAI-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2ccc(F)cc2C)n1 ZINC000815561969 1130999970 /nfs/dbraw/zinc/99/99/70/1130999970.db2.gz UITFUOICKAMPKP-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN CSCCN(C)Cc1ccc(F)c(C)c1Cl ZINC001236716161 1131000077 /nfs/dbraw/zinc/00/00/77/1131000077.db2.gz RVJOYZIOVHVEFH-UHFFFAOYSA-N 0 1 261.793 3.582 20 0 CHADMN O=C1CCN(Cc2cccc3ccoc32)[C@@H]2CCCC[C@@H]12 ZINC001236733560 1131000231 /nfs/dbraw/zinc/00/02/31/1131000231.db2.gz UYHWWASWMOJFOX-HZPDHXFCSA-N 0 1 283.371 3.766 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000815599603 1131006936 /nfs/dbraw/zinc/00/69/36/1131006936.db2.gz WURQPLDPVFVJAE-RYUDHWBXSA-N 0 1 290.386 3.787 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(F)cc2C)cc1O ZINC000815573213 1131008658 /nfs/dbraw/zinc/00/86/58/1131008658.db2.gz BQPLPTMWVFYWNN-LBPRGKRZSA-N 0 1 289.350 3.699 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1cnc2n1CCCC2 ZINC000815623706 1131010461 /nfs/dbraw/zinc/01/04/61/1131010461.db2.gz FHYDLNCWPCGPMW-CYBMUJFWSA-N 0 1 287.382 3.518 20 0 CHADMN Cc1cc(Br)sc1CN1CCCC12CC2 ZINC001236828125 1131013395 /nfs/dbraw/zinc/01/33/95/1131013395.db2.gz DUYICHOEHHTKFC-UHFFFAOYSA-N 0 1 286.238 3.947 20 0 CHADMN COc1cc(CN2CCC[C@@H]3CCC[C@H]32)c(F)cc1F ZINC001236823519 1131013996 /nfs/dbraw/zinc/01/39/96/1131013996.db2.gz AMPULUAZIAFFOD-XHDPSFHLSA-N 0 1 281.346 3.738 20 0 CHADMN COc1cc(CN2CCCCC[C@H]2C)c(F)cc1F ZINC001236824634 1131014232 /nfs/dbraw/zinc/01/42/32/1131014232.db2.gz SLWIAIWKIXOLAN-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN Clc1nc2ccsc2cc1CN1C[C@H]2CC[C@@H]1C2 ZINC001236863397 1131025915 /nfs/dbraw/zinc/02/59/15/1131025915.db2.gz FPDGUVZLRVBRBE-GXSJLCMTSA-N 0 1 278.808 3.934 20 0 CHADMN Clc1nc2ccsc2cc1CN1CCC2(CC2)C1 ZINC001236870148 1131027954 /nfs/dbraw/zinc/02/79/54/1131027954.db2.gz OYOHSWHFUZYTDM-UHFFFAOYSA-N 0 1 278.808 3.936 20 0 CHADMN C[C@]1(F)CCCN(Cc2ccc(F)c3ccoc32)C1 ZINC001236891346 1131029767 /nfs/dbraw/zinc/02/97/67/1131029767.db2.gz SQSBMRYGXJHMBO-HNNXBMFYSA-N 0 1 265.303 3.896 20 0 CHADMN Clc1cc(CN2CCC[C@@H]3C[C@@H]32)ccc1-n1cccn1 ZINC001236902059 1131029885 /nfs/dbraw/zinc/02/98/85/1131029885.db2.gz AEXBBCFDUBUDAQ-CJNGLKHVSA-N 0 1 287.794 3.510 20 0 CHADMN Clc1cc(-n2ccnc2)ccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001236920651 1131030549 /nfs/dbraw/zinc/03/05/49/1131030549.db2.gz YJXTVQZSGFBWCH-WBMJQRKESA-N 0 1 287.794 3.510 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1 ZINC001236977566 1131033057 /nfs/dbraw/zinc/03/30/57/1131033057.db2.gz QEQPFIQVAZWRGN-UHFFFAOYSA-N 0 1 296.292 3.709 20 0 CHADMN Cc1cccc(-c2ccc(CN3CCCOCC3)cn2)c1C ZINC001236982590 1131033718 /nfs/dbraw/zinc/03/37/18/1131033718.db2.gz VVCRKZJGSBTEJR-UHFFFAOYSA-N 0 1 296.414 3.588 20 0 CHADMN CC(C)(C)Oc1ccccc1CN1CCC(F)CC1 ZINC001237022190 1131035667 /nfs/dbraw/zinc/03/56/67/1131035667.db2.gz FBWTUZQUXZMTOJ-UHFFFAOYSA-N 0 1 265.372 3.798 20 0 CHADMN Cc1nc2c(s1)[C@@H](Nc1ccnc(C)c1Cl)CCC2 ZINC000798397033 1131036238 /nfs/dbraw/zinc/03/62/38/1131036238.db2.gz QKONPMXHLFYCCT-LBPRGKRZSA-N 0 1 293.823 3.720 20 0 CHADMN CC(C)C[C@@H](C)COC(=O)c1c(F)cc(O)cc1F ZINC000798623397 1131044260 /nfs/dbraw/zinc/04/42/60/1131044260.db2.gz FHZCAYSSMAQJPQ-SECBINFHSA-N 0 1 272.291 3.509 20 0 CHADMN CN(Cc1cccnc1)Cc1cc(O)cc2ccccc21 ZINC001237065976 1131044871 /nfs/dbraw/zinc/04/48/71/1131044871.db2.gz QASUXPUROZQCPY-UHFFFAOYSA-N 0 1 278.355 3.572 20 0 CHADMN CC(C)(C)Oc1cccc(CN2CC3(CCC3)C2)c1 ZINC001237099016 1131049499 /nfs/dbraw/zinc/04/94/99/1131049499.db2.gz SMHBIEQHBBDKNJ-UHFFFAOYSA-N 0 1 259.393 3.850 20 0 CHADMN CC(C)[C@H](C(=O)O[C@@H](C)c1ccccc1Cl)N(C)C ZINC000798844444 1131052457 /nfs/dbraw/zinc/05/24/57/1131052457.db2.gz YRWINTLZXMPETF-SMDDNHRTSA-N 0 1 283.799 3.530 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H](C)[C@@H]2C[C@H]2c2ccccc2)o1 ZINC000638925290 1131064618 /nfs/dbraw/zinc/06/46/18/1131064618.db2.gz MIOJBKAQQUIDDU-VDERGJSUSA-N 0 1 270.376 3.826 20 0 CHADMN CC(C)c1cnc(CN2CC[C@H](c3ccccn3)C2)s1 ZINC000798963417 1131065128 /nfs/dbraw/zinc/06/51/28/1131065128.db2.gz DSVKYHCSFXRWDO-ZDUSSCGKSA-N 0 1 287.432 3.651 20 0 CHADMN CSCCCN(C)Cn1cc(-c2ccc(C)cc2)cn1 ZINC000799161463 1131072512 /nfs/dbraw/zinc/07/25/12/1131072512.db2.gz UZNGQUKTSGUOHL-UHFFFAOYSA-N 0 1 289.448 3.501 20 0 CHADMN Cc1cc(C)cc([C@H](C)NCc2cnc(Cl)cn2)c1 ZINC000799155990 1131073149 /nfs/dbraw/zinc/07/31/49/1131073149.db2.gz JXMXKTMQPZVKTM-LBPRGKRZSA-N 0 1 275.783 3.598 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CCN1Cc1cnc(Cl)cn1 ZINC000799128701 1131073412 /nfs/dbraw/zinc/07/34/12/1131073412.db2.gz SBSLLUNSFXTJDH-SWLSCSKDSA-N 0 1 287.794 3.508 20 0 CHADMN COc1nc(Cl)ccc1CN1CCC2(C1)CCCCC2 ZINC001237246363 1131073804 /nfs/dbraw/zinc/07/38/04/1131073804.db2.gz CWYPBXUULBCQIA-UHFFFAOYSA-N 0 1 294.826 3.900 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@H](c2ccccn2)C1 ZINC000799191262 1131074706 /nfs/dbraw/zinc/07/47/06/1131074706.db2.gz KVAMSTXMGSSQLC-KBPBESRZSA-N 0 1 299.418 3.918 20 0 CHADMN CCc1ccc(CN(C)Cc2cc(O)cc(F)c2)cc1 ZINC001237281957 1131076808 /nfs/dbraw/zinc/07/68/08/1131076808.db2.gz VPEVHPZSKHOFEM-UHFFFAOYSA-N 0 1 273.351 3.726 20 0 CHADMN Cc1cc(Br)c(CN(C)CC2CCC2)cc1O ZINC001237300471 1131079610 /nfs/dbraw/zinc/07/96/10/1131079610.db2.gz CGUZGXQLYXVOTA-UHFFFAOYSA-N 0 1 298.224 3.695 20 0 CHADMN BrC1=CCCN(C[C@@H]2CCc3ccccc32)C1 ZINC000799326431 1131079936 /nfs/dbraw/zinc/07/99/36/1131079936.db2.gz PERPDAFCFJPPBT-ZDUSSCGKSA-N 0 1 292.220 3.701 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@](C)(O)CC2)c1Cl ZINC001138022538 1131085096 /nfs/dbraw/zinc/08/50/96/1131085096.db2.gz CTINMUUWXWYNBI-HNNXBMFYSA-N 0 1 285.790 3.524 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@@](C)(O)[C@H](C)C2)c1Cl ZINC001138022897 1131085184 /nfs/dbraw/zinc/08/51/84/1131085184.db2.gz QSNYZHLUHNBRBU-MLGOLLRUSA-N 0 1 299.817 3.770 20 0 CHADMN CCCN(Cc1cnccc1Br)[C@H](C)CC ZINC001237381265 1131093368 /nfs/dbraw/zinc/09/33/68/1131093368.db2.gz ALHJSQIXSDHPMB-LLVKDONJSA-N 0 1 285.229 3.855 20 0 CHADMN CCC(CC)N(CC)Cc1cnccc1Br ZINC001237393604 1131093700 /nfs/dbraw/zinc/09/37/00/1131093700.db2.gz TZKVQHJNZYRJAF-UHFFFAOYSA-N 0 1 285.229 3.855 20 0 CHADMN Cc1nc(C2CC2)nc(-c2cc(O)c(F)c(F)c2F)c1F ZINC001245634984 1131097396 /nfs/dbraw/zinc/09/73/96/1131097396.db2.gz JPPNDKBCRHNBGP-UHFFFAOYSA-N 0 1 298.239 3.591 20 0 CHADMN CC1(F)CCN(Cc2c(Cl)[nH]c3cnccc32)CC1 ZINC001237448371 1131098256 /nfs/dbraw/zinc/09/82/56/1131098256.db2.gz GJCXZKZQUABEQQ-UHFFFAOYSA-N 0 1 281.762 3.540 20 0 CHADMN Clc1[nH]c2cnccc2c1CN1CC2(C1)CCCCC2 ZINC001237459067 1131101223 /nfs/dbraw/zinc/10/12/23/1131101223.db2.gz QDRXFSAKKCWOEI-UHFFFAOYSA-N 0 1 289.810 3.982 20 0 CHADMN Cc1ccc(NC2CCC(C(F)F)CC2)c(N(C)C)n1 ZINC000799722020 1131105064 /nfs/dbraw/zinc/10/50/64/1131105064.db2.gz FMMGIKDNFHJDTA-UHFFFAOYSA-N 0 1 283.366 3.692 20 0 CHADMN COc1cnc(-c2c(O)cccc2F)c2ccccc12 ZINC001245654705 1131108270 /nfs/dbraw/zinc/10/82/70/1131108270.db2.gz QWQRGUZORXXXSN-UHFFFAOYSA-N 0 1 269.275 3.755 20 0 CHADMN Fc1cccc2c(CN3CCc4ccncc4C3)cccc12 ZINC001237514061 1131108409 /nfs/dbraw/zinc/10/84/09/1131108409.db2.gz DBCFSCLNWNJMTA-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN CC(C)[N@H+](Cc1cc(Cl)nc(Cl)c1[O-])CC1CC1 ZINC001237534421 1131110896 /nfs/dbraw/zinc/11/08/96/1131110896.db2.gz JKVCDXFUEBLXQY-UHFFFAOYSA-N 0 1 289.206 3.714 20 0 CHADMN CCc1nn(C)c(Cl)c1CN1CC(C)(C)[C@@H]1C(C)C ZINC000816624806 1131112544 /nfs/dbraw/zinc/11/25/44/1131112544.db2.gz HXOUYHKQXAZXIG-ZDUSSCGKSA-N 0 1 283.847 3.502 20 0 CHADMN COCc1ccccc1/C=C(/C)CN1CCC(F)(F)CC1 ZINC000816596657 1131114939 /nfs/dbraw/zinc/11/49/39/1131114939.db2.gz KZMUHQQDVYOAJP-KAMYIIQDSA-N 0 1 295.373 3.967 20 0 CHADMN CCN(Cc1ccccc1)Cc1ccnc(OC(F)F)c1 ZINC001237610073 1131119633 /nfs/dbraw/zinc/11/96/33/1131119633.db2.gz HLDUNYPTPAPWBR-UHFFFAOYSA-N 0 1 292.329 3.705 20 0 CHADMN Cc1cc(CN2C[C@@H](C)[C@H]2C)c(OC(F)F)cc1C ZINC000816647804 1131121299 /nfs/dbraw/zinc/12/12/99/1131121299.db2.gz YKDAHFOWTFYTJY-VXGBXAGGSA-N 0 1 269.335 3.745 20 0 CHADMN CC(C)CCc1noc(CN2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC001115897208 1131122616 /nfs/dbraw/zinc/12/26/16/1131122616.db2.gz WKTKANXNZVBAHJ-HUUCEWRRSA-N 0 1 291.439 3.670 20 0 CHADMN CC(=O)Nc1ccccc1-c1cc(Cl)c(O)cc1F ZINC001245672189 1131123661 /nfs/dbraw/zinc/12/36/61/1131123661.db2.gz QSIUQSOEUDAIHH-UHFFFAOYSA-N 0 1 279.698 3.810 20 0 CHADMN C[C@H]1CN(Cc2ccc(-c3ccc(O)cc3)cc2)C[C@H](C)O1 ZINC001237661464 1131124634 /nfs/dbraw/zinc/12/46/34/1131124634.db2.gz IWWALWDRISKNPD-GJZGRUSLSA-N 0 1 297.398 3.668 20 0 CHADMN Cc1cc(CN2C[C@@H](C)C[C@H]2CO)c(Cl)cc1Cl ZINC001237695173 1131128475 /nfs/dbraw/zinc/12/84/75/1131128475.db2.gz CRUWHCHGRCUAHN-CABZTGNLSA-N 0 1 288.218 3.505 20 0 CHADMN CC[N@@H+](Cc1cc(C)cc(C)c1Cl)CC(C)(C)O ZINC001237701545 1131129314 /nfs/dbraw/zinc/12/93/14/1131129314.db2.gz LDOROHVUXPCMEV-UHFFFAOYSA-N 0 1 269.816 3.550 20 0 CHADMN Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@]23CCOC3)c1 ZINC001237700913 1131129816 /nfs/dbraw/zinc/12/98/16/1131129816.db2.gz GLLPAIAVYNDTAE-MRXNPFEDSA-N 0 1 279.811 3.712 20 0 CHADMN Cc1cc(CN2CCN(C3CC3)CC2)c(Cl)cc1Cl ZINC001237701480 1131130333 /nfs/dbraw/zinc/13/03/33/1131130333.db2.gz JSODIJZITBYQGG-UHFFFAOYSA-N 0 1 299.245 3.582 20 0 CHADMN COc1ccc(C)c(C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC001237711661 1131132510 /nfs/dbraw/zinc/13/25/10/1131132510.db2.gz SQFKLBHLLYTZKD-GOSISDBHSA-N 0 1 282.387 3.736 20 0 CHADMN CCCC1CCN(C(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC001116188535 1131132985 /nfs/dbraw/zinc/13/29/85/1131132985.db2.gz FGIBRYOBINIUAV-UHFFFAOYSA-N 0 1 285.391 3.524 20 0 CHADMN Cc1cc(CN2CCOC[C@H]2C(C)C)ccc1OC(C)C ZINC001237728615 1131133580 /nfs/dbraw/zinc/13/35/80/1131133580.db2.gz UKYFXVWRPCZGGP-KRWDZBQOSA-N 0 1 291.435 3.639 20 0 CHADMN Cc1cc(CN2C[C@@H](F)C[C@H]2C)ccc1OC(C)C ZINC001237719773 1131134302 /nfs/dbraw/zinc/13/43/02/1131134302.db2.gz XVSXZZQXMMICDF-HIFRSBDPSA-N 0 1 265.372 3.715 20 0 CHADMN Cc1c(Cl)cccc1CN1CC[C@H]2CCCO[C@H]2C1 ZINC001237733725 1131134723 /nfs/dbraw/zinc/13/47/23/1131134723.db2.gz GMAFBFBGUBHJAK-CJNGLKHVSA-N 0 1 279.811 3.649 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1cccc2c1OCC2 ZINC001237749608 1131137434 /nfs/dbraw/zinc/13/74/34/1131137434.db2.gz PKFBIVDSGJGWDQ-CQSZACIVSA-N 0 1 297.398 3.823 20 0 CHADMN c1cncc([C@@H]2CCCCN2Cc2cccc3c2OCC3)c1 ZINC001237750303 1131138213 /nfs/dbraw/zinc/13/82/13/1131138213.db2.gz JUQAUOPMPYXGLT-SFHVURJKSA-N 0 1 294.398 3.744 20 0 CHADMN COc1ccc(CN2CCC[C@H](C)[C@@H](C)C2)c(Cl)n1 ZINC001237792361 1131141423 /nfs/dbraw/zinc/14/14/23/1131141423.db2.gz PMSOUAGHAPFBRS-RYUDHWBXSA-N 0 1 282.815 3.612 20 0 CHADMN COc1ccoc1CN1CCC(c2ccccc2F)CC1 ZINC001237865813 1131145708 /nfs/dbraw/zinc/14/57/08/1131145708.db2.gz DTWRQLHLNBUFFI-UHFFFAOYSA-N 0 1 289.350 3.807 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CCC2(CCCC2)C1 ZINC001237875065 1131146846 /nfs/dbraw/zinc/14/68/46/1131146846.db2.gz LAPIJQYZVXYVOQ-UHFFFAOYSA-N 0 1 299.418 3.785 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2[nH]c(-c3ccc[nH]3)cc2OC)C1 ZINC001237880242 1131147213 /nfs/dbraw/zinc/14/72/13/1131147213.db2.gz CFHRKISPFMKYLM-ZDUSSCGKSA-N 0 1 287.407 3.640 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001237876088 1131147344 /nfs/dbraw/zinc/14/73/44/1131147344.db2.gz CQRVRZBFLGURBF-KGLIPLIRSA-N 0 1 299.418 3.640 20 0 CHADMN COc1ccoc1CN(C)CCc1cccc(Cl)c1 ZINC001237873616 1131147976 /nfs/dbraw/zinc/14/79/76/1131147976.db2.gz GTHNFHDNFDXNKO-UHFFFAOYSA-N 0 1 279.767 3.616 20 0 CHADMN COc1ccoc1CN1CC[C@@H](c2ccccc2Cl)C1 ZINC001237872974 1131147996 /nfs/dbraw/zinc/14/79/96/1131147996.db2.gz AQCZVHAMZKDXTB-GFCCVEGCSA-N 0 1 291.778 3.931 20 0 CHADMN Clc1ccc(CN2CC[C@@H]3CCCC[C@H]3C2)nc1 ZINC001116490293 1131150150 /nfs/dbraw/zinc/15/01/50/1131150150.db2.gz APZCJFQZOIAVIP-STQMWFEESA-N 0 1 264.800 3.747 20 0 CHADMN CCCOc1cc(F)ccc1CN1CCC[C@H](CF)C1 ZINC001237904162 1131150419 /nfs/dbraw/zinc/15/04/19/1131150419.db2.gz GRJFYELSATWHGP-CYBMUJFWSA-N 0 1 283.362 3.796 20 0 CHADMN CCOc1cc(F)cc(CN2CCCCC23CC3)c1 ZINC001237919782 1131151483 /nfs/dbraw/zinc/15/14/83/1131151483.db2.gz IXTQJIGYNODMGT-UHFFFAOYSA-N 0 1 263.356 3.743 20 0 CHADMN Cc1ccc(N(C)C(=O)c2ccc3cncn3c2C)cc1C ZINC001116548094 1131154945 /nfs/dbraw/zinc/15/49/45/1131154945.db2.gz RULXASLIRZCMKS-UHFFFAOYSA-N 0 1 293.370 3.536 20 0 CHADMN Cc1nc(CN2CCC[C@H]2c2cc(C)cc(C)c2)co1 ZINC001206087904 1131155447 /nfs/dbraw/zinc/15/54/47/1131155447.db2.gz YFCPQAZLVCLDHD-KRWDZBQOSA-N 0 1 270.376 3.937 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2csc(-c3cccc(F)c3)n2)C1 ZINC001237967721 1131157144 /nfs/dbraw/zinc/15/71/44/1131157144.db2.gz GUETVWVFKARKNR-LLVKDONJSA-N 0 1 276.380 3.791 20 0 CHADMN C[C@@H]1CCN(Cc2csc(-c3cccc(F)c3)n2)C1 ZINC001237967721 1131157148 /nfs/dbraw/zinc/15/71/48/1131157148.db2.gz GUETVWVFKARKNR-LLVKDONJSA-N 0 1 276.380 3.791 20 0 CHADMN FC1(F)CCCCN(Cc2n[nH]c3cc(Cl)ccc32)C1 ZINC001237992665 1131157924 /nfs/dbraw/zinc/15/79/24/1131157924.db2.gz IARPOAQYRYECBZ-UHFFFAOYSA-N 0 1 299.752 3.838 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(F)c([O-])c(Cl)c1 ZINC001237991175 1131158462 /nfs/dbraw/zinc/15/84/62/1131158462.db2.gz WPOUMRQNNIBDRT-AOOOYVTPSA-N 0 1 271.763 3.948 20 0 CHADMN Cc1cccc(NCCc2coc(-c3ccccc3)n2)n1 ZINC001116662563 1131159343 /nfs/dbraw/zinc/15/93/43/1131159343.db2.gz ZZZHQNZYNSQBBX-UHFFFAOYSA-N 0 1 279.343 3.700 20 0 CHADMN FC(F)[C@H]1CCCN(Cc2[nH]nc3cc(Cl)ccc32)C1 ZINC001238000780 1131160404 /nfs/dbraw/zinc/16/04/04/1131160404.db2.gz OUPWDJPRLGAWFP-VIFPVBQESA-N 0 1 299.752 3.693 20 0 CHADMN CC(C)c1nc(CNC[C@](C)(O)C2CCCCC2)cs1 ZINC001116763924 1131163167 /nfs/dbraw/zinc/16/31/67/1131163167.db2.gz SCEKQVONIQBJAL-INIZCTEOSA-N 0 1 296.480 3.687 20 0 CHADMN CCOc1cc(CN2CCCC[C@@H](F)C2)ccc1C ZINC001238066939 1131166453 /nfs/dbraw/zinc/16/64/53/1131166453.db2.gz FHFJBMWRVIMVTL-OAHLLOKOSA-N 0 1 265.372 3.718 20 0 CHADMN Cc1nc(F)ccc1C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001116841402 1131166492 /nfs/dbraw/zinc/16/64/92/1131166492.db2.gz IJPNCESURNRRKB-ZFWWWQNUSA-N 0 1 262.372 3.541 20 0 CHADMN Cc1cc(CN(C)Cc2ccccn2)cc(C)c1Cl ZINC001238088010 1131169597 /nfs/dbraw/zinc/16/95/97/1131169597.db2.gz AFFHDVKONULDGN-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CSc1cnc(F)c(Nc2ccc3c[nH]nc3c2)c1 ZINC001159663179 1131169866 /nfs/dbraw/zinc/16/98/66/1131169866.db2.gz TTZQHAGUEUBMDZ-UHFFFAOYSA-N 0 1 274.324 3.563 20 0 CHADMN COc1cnc(F)c(CN2CC[C@@H](C3CCCCC3)C2)c1 ZINC001238124133 1131171837 /nfs/dbraw/zinc/17/18/37/1131171837.db2.gz UCGMSEFQWRAQLS-CQSZACIVSA-N 0 1 292.398 3.632 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2ccc(Cl)c(F)c2)n(C)n1 ZINC001117076169 1131172045 /nfs/dbraw/zinc/17/20/45/1131172045.db2.gz PJHDAJLTFZKJQE-QWRGUYRKSA-N 0 1 295.789 3.933 20 0 CHADMN Oc1cc(F)c(CN2Cc3ccccc3C2)cc1Cl ZINC001238142201 1131173711 /nfs/dbraw/zinc/17/37/11/1131173711.db2.gz DAFFKCMBOSHQCC-UHFFFAOYSA-N 0 1 277.726 3.701 20 0 CHADMN Oc1cc(F)c(CN2CC(c3ccccc3)C2)cc1Cl ZINC001238150394 1131173975 /nfs/dbraw/zinc/17/39/75/1131173975.db2.gz TUNSJXJYGBDPKI-UHFFFAOYSA-N 0 1 291.753 3.784 20 0 CHADMN CC1(C)CCC[N@H+]1Cc1cc(Cl)c([O-])cc1F ZINC001238144625 1131174258 /nfs/dbraw/zinc/17/42/58/1131174258.db2.gz XMPRLRZXHSMHJD-UHFFFAOYSA-N 0 1 257.736 3.559 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@H+]1CCc2c(C)cccc2C1 ZINC001238135484 1131174647 /nfs/dbraw/zinc/17/46/47/1131174647.db2.gz UOBMSYZWBDVZJH-UHFFFAOYSA-N 0 1 295.382 3.560 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001238144622 1131174798 /nfs/dbraw/zinc/17/47/98/1131174798.db2.gz XLSGMGVZXBXJBI-GOSISDBHSA-N 0 1 295.382 3.813 20 0 CHADMN C[C@]1(F)CCCCN(Cc2cc(Cl)c(O)cc2F)C1 ZINC001238145761 1131174870 /nfs/dbraw/zinc/17/48/70/1131174870.db2.gz FRYVFQOLIMHJNL-AWEZNQCLSA-N 0 1 289.753 3.899 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1Cl ZINC001238150031 1131174889 /nfs/dbraw/zinc/17/48/89/1131174889.db2.gz PPYGSVYCBZBDCN-QMTHXVAHSA-N 0 1 283.774 3.949 20 0 CHADMN CC(C)[N@H+](Cc1cc(Cl)c([O-])cc1F)CC1CC1 ZINC001238147725 1131174973 /nfs/dbraw/zinc/17/49/73/1131174973.db2.gz ATHCUZUNEKTDKP-UHFFFAOYSA-N 0 1 271.763 3.805 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(Cl)c(O)cc2F)cn1 ZINC001238154402 1131176808 /nfs/dbraw/zinc/17/68/08/1131176808.db2.gz JKJGERHNSKOJFU-UHFFFAOYSA-N 0 1 294.757 3.520 20 0 CHADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(Cl)c([O-])cc1F ZINC001238153145 1131176946 /nfs/dbraw/zinc/17/69/46/1131176946.db2.gz XNJJMIGRZYSQGL-VHSXEESVSA-N 0 1 271.763 3.805 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1cncc(C3CC3)c1)CC2 ZINC001238182249 1131177526 /nfs/dbraw/zinc/17/75/26/1131177526.db2.gz RBTWEZVZMFDXHN-UHFFFAOYSA-N 0 1 278.399 3.826 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cncc(C3CC3)c2)cn1 ZINC001238195220 1131178752 /nfs/dbraw/zinc/17/87/52/1131178752.db2.gz XBLRCRZFIJFCDE-IBGZPJMESA-N 0 1 293.414 4.000 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1cncc(C2CC2)c1 ZINC001238192745 1131179926 /nfs/dbraw/zinc/17/99/26/1131179926.db2.gz HTFDLWWWRRBUGA-AWEZNQCLSA-N 0 1 278.399 3.906 20 0 CHADMN CC(C)N(Cc1nc(Br)cs1)C(C)C ZINC001137774056 1131415529 /nfs/dbraw/zinc/41/55/29/1131415529.db2.gz ODLDMCMIWHYBJD-UHFFFAOYSA-N 0 1 277.231 3.524 20 0 CHADMN CC(C)c1cc(CN2CC[C@@H](O)[C@@H](F)CC2)ccc1Cl ZINC001238220378 1131183427 /nfs/dbraw/zinc/18/34/27/1131183427.db2.gz UDTXJPMINIFUGQ-JKSUJKDBSA-N 0 1 299.817 3.758 20 0 CHADMN Clc1ncc(CN2CCC[C@H]3CCCC[C@H]32)s1 ZINC000226103630 1131186182 /nfs/dbraw/zinc/18/61/82/1131186182.db2.gz NFJIXXVADDNBQL-ZYHUDNBSSA-N 0 1 270.829 3.951 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CCC[C@@H](C)C1 ZINC001238322116 1131190802 /nfs/dbraw/zinc/19/08/02/1131190802.db2.gz HYGOLBFVBPJRRQ-CYBMUJFWSA-N 0 1 265.372 3.845 20 0 CHADMN Cc1nc(C)c(CN2Cc3ccccc3C3(CCC3)C2)o1 ZINC001117673252 1131191500 /nfs/dbraw/zinc/19/15/00/1131191500.db2.gz OYTACDNAWLQUQX-UHFFFAOYSA-N 0 1 282.387 3.729 20 0 CHADMN COc1ccc(CN2CCC(C(C)(C)C)CC2)c(F)c1O ZINC001238365482 1131192202 /nfs/dbraw/zinc/19/22/02/1131192202.db2.gz HSICKYOCAZPRPW-UHFFFAOYSA-N 0 1 295.398 3.798 20 0 CHADMN CC[C@@H]1CCCN1Cc1c(F)ccc(Cl)c1OC ZINC001238343538 1131192394 /nfs/dbraw/zinc/19/23/94/1131192394.db2.gz WDPQEBUDLIGMHQ-SNVBAGLBSA-N 0 1 271.763 3.862 20 0 CHADMN COc1c(Cl)ccc(F)c1CN(C)C1CCCC1 ZINC001238342797 1131193214 /nfs/dbraw/zinc/19/32/14/1131193214.db2.gz SSPLLYMXDXFRLZ-UHFFFAOYSA-N 0 1 271.763 3.862 20 0 CHADMN Clc1cccc(N2CCCC2)c1CNC/C=C/C1CC1 ZINC001117722155 1131193888 /nfs/dbraw/zinc/19/38/88/1131193888.db2.gz MDOLNHKUFZJLBC-SNAWJCMRSA-N 0 1 290.838 3.996 20 0 CHADMN CCOc1ccc(CN2CC[C@](C)(CF)C2)c(Cl)c1 ZINC001238394440 1131195897 /nfs/dbraw/zinc/19/58/97/1131195897.db2.gz JSMRPEPNWYLJKB-OAHLLOKOSA-N 0 1 285.790 3.920 20 0 CHADMN CCCO[C@H]1CCN(Cc2ccc(OCC)cc2Cl)C1 ZINC001238400935 1131195980 /nfs/dbraw/zinc/19/59/80/1131195980.db2.gz VDJSZNMWZOFFIM-HNNXBMFYSA-N 0 1 297.826 3.740 20 0 CHADMN CC(C)Oc1cccc(CN2C[C@H]3[C@H](CC3(F)F)C2)c1F ZINC001238425392 1131198899 /nfs/dbraw/zinc/19/88/99/1131198899.db2.gz WYDVGCUMHSLSHF-OLZOCXBDSA-N 0 1 299.336 3.700 20 0 CHADMN CC(C)Oc1cccc(CN2CCC[C@@H](CF)C2)c1F ZINC001238427769 1131199073 /nfs/dbraw/zinc/19/90/73/1131199073.db2.gz SVOLZQINFZNNAQ-ZDUSSCGKSA-N 0 1 283.362 3.794 20 0 CHADMN CCCO[C@@H]1CCN(Cc2cccc(OC(C)C)c2F)C1 ZINC001238428459 1131199323 /nfs/dbraw/zinc/19/93/23/1131199323.db2.gz XALZSENWSCFDSG-OAHLLOKOSA-N 0 1 295.398 3.614 20 0 CHADMN CC(C)Oc1cccc(CN2CC[C@@]3(CC3(F)F)C2)c1F ZINC001238426010 1131199409 /nfs/dbraw/zinc/19/94/09/1131199409.db2.gz DBWMQBUNQYJTQV-OAHLLOKOSA-N 0 1 299.336 3.844 20 0 CHADMN CC(C)Oc1ccc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c(F)c1 ZINC001238451491 1131202869 /nfs/dbraw/zinc/20/28/69/1131202869.db2.gz LOFKEUQIGOTDNO-KCQAQPDRSA-N 0 1 281.346 3.545 20 0 CHADMN C[C@@H](NC/C=C\C1CC1)c1ncc(-c2ccccc2)n1C ZINC001117831300 1131203635 /nfs/dbraw/zinc/20/36/35/1131203635.db2.gz MAXDQVBFENZKTE-LMVHVUTASA-N 0 1 281.403 3.704 20 0 CHADMN CC(C)Oc1cncc(CN2Cc3ccccc3C[C@H]2C)c1 ZINC001238472039 1131205457 /nfs/dbraw/zinc/20/54/57/1131205457.db2.gz SHEOWIHYQLOMIX-OAHLLOKOSA-N 0 1 296.414 3.816 20 0 CHADMN CC(C)(O)c1ccc(CN[C@H]2C[C@]2(F)c2ccccc2)cc1 ZINC000818231555 1131205641 /nfs/dbraw/zinc/20/56/41/1131205641.db2.gz YBTGWPSMAMKCCT-HKUYNNGSSA-N 0 1 299.389 3.641 20 0 CHADMN CCCCN(CCC)Cc1nc(Br)cs1 ZINC001137779365 1131416110 /nfs/dbraw/zinc/41/61/10/1131416110.db2.gz ITRZPKZSQKISEX-UHFFFAOYSA-N 0 1 291.258 3.918 20 0 CHADMN COc1cnc(CN2CCC[C@H]3CCC[C@H]32)c(Cl)c1 ZINC001238486865 1131207218 /nfs/dbraw/zinc/20/72/18/1131207218.db2.gz GUJZYLJDTYFQDB-IAQYHMDHSA-N 0 1 280.799 3.508 20 0 CHADMN COc1cnc(CN2CCC[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC001238486868 1131207561 /nfs/dbraw/zinc/20/75/61/1131207561.db2.gz GUJZYLJDTYFQDB-NHYWBVRUSA-N 0 1 280.799 3.508 20 0 CHADMN COc1cnc(CN2CCC[C@H](C)[C@@H](C)C2)c(Cl)c1 ZINC001238484359 1131207646 /nfs/dbraw/zinc/20/76/46/1131207646.db2.gz MQXBKKRCOKVPFZ-RYUDHWBXSA-N 0 1 282.815 3.612 20 0 CHADMN CCOc1cc(CN2CC[C@@H](C)C2)cc(C(F)(F)F)c1 ZINC001238499409 1131208605 /nfs/dbraw/zinc/20/86/05/1131208605.db2.gz PXHNYPMQALAZSY-LLVKDONJSA-N 0 1 287.325 3.946 20 0 CHADMN Fc1ccc(CN2CCC(F)CC2)cc1C1CC1 ZINC001238496934 1131209132 /nfs/dbraw/zinc/20/91/32/1131209132.db2.gz AAVIAFQUJOPAEJ-UHFFFAOYSA-N 0 1 251.320 3.637 20 0 CHADMN Cc1c(Cl)ccc(CN(C)CCc2ccccn2)c1F ZINC001238513098 1131211875 /nfs/dbraw/zinc/21/18/75/1131211875.db2.gz AZTHARGEYDZUDA-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN Cc1c(Cl)ccc(CN2C3CCC2CC3)c1F ZINC001238517852 1131212782 /nfs/dbraw/zinc/21/27/82/1131212782.db2.gz LJXIEOLUZLMSSP-UHFFFAOYSA-N 0 1 253.748 3.914 20 0 CHADMN CC(C)Oc1c(F)ccc(CN2C[C@@H]3CCC[C@@H]3C2)c1F ZINC001238527280 1131213501 /nfs/dbraw/zinc/21/35/01/1131213501.db2.gz JMAKBSSWDCGJMH-BETUJISGSA-N 0 1 295.373 3.984 20 0 CHADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1c(Cl)ccc(C)c1F ZINC001138035373 1131214570 /nfs/dbraw/zinc/21/45/70/1131214570.db2.gz OFXBMBNFQVZLLP-FUNVUKJBSA-N 0 1 297.801 3.929 20 0 CHADMN COCC1CN(Cc2ccc(F)c(-c3ccccc3)c2)C1 ZINC001238560471 1131215965 /nfs/dbraw/zinc/21/59/65/1131215965.db2.gz INWJORVMLQMBOZ-UHFFFAOYSA-N 0 1 285.362 3.571 20 0 CHADMN Cc1ccc(Cl)c(CN2CC[C@H]3CCCO[C@@H]3C2)c1 ZINC001238566015 1131217972 /nfs/dbraw/zinc/21/79/72/1131217972.db2.gz YRIZHBJJPXSCPY-CZUORRHYSA-N 0 1 279.811 3.649 20 0 CHADMN COc1cc(C)cc(F)c1CN1CCC(OC(C)C)CC1 ZINC001238592610 1131219596 /nfs/dbraw/zinc/21/95/96/1131219596.db2.gz VDNGEXGXGRDFMW-UHFFFAOYSA-N 0 1 295.398 3.532 20 0 CHADMN CC(C)Oc1cc(CN2CCC3(CCCC3)C2)cnc1F ZINC001238601184 1131221448 /nfs/dbraw/zinc/22/14/48/1131221448.db2.gz PZQTXWVWSKKKQA-UHFFFAOYSA-N 0 1 292.398 3.774 20 0 CHADMN Cc1cc(CN(C)CCOc2ccccc2)cnc1C1CC1 ZINC001238618582 1131222559 /nfs/dbraw/zinc/22/25/59/1131222559.db2.gz ULBANQGGFGXDQI-UHFFFAOYSA-N 0 1 296.414 3.778 20 0 CHADMN CC(C)(C)c1ccc(-c2noc(-c3coc(CN)c3)n2)cc1 ZINC000823153085 1131414192 /nfs/dbraw/zinc/41/41/92/1131414192.db2.gz UYROLXQBTIBKBD-UHFFFAOYSA-N 0 1 297.358 3.753 20 0 CHADMN Cc1cccc([C@H](C)NC(=O)c2cc(F)cc3nc[nH]c32)c1 ZINC001137764731 1131415022 /nfs/dbraw/zinc/41/50/22/1131415022.db2.gz ZUGJJPPRHOKFMI-NSHDSACASA-N 0 1 297.333 3.501 20 0 CHADMN CN(Cc1cncs1)Cc1ccc(O)c2ccccc12 ZINC001138062664 1131417086 /nfs/dbraw/zinc/41/70/86/1131417086.db2.gz VGVIOEYVMKZVPI-UHFFFAOYSA-N 0 1 284.384 3.634 20 0 CHADMN Fc1ccc([C@@H]2CC[N@@H+](Cc3scnc3Cl)C2)cc1 ZINC001137823715 1131419811 /nfs/dbraw/zinc/41/98/11/1131419811.db2.gz OHHPWLQHLQMZKJ-LLVKDONJSA-N 0 1 296.798 3.925 20 0 CHADMN Fc1ccc([C@@H]2CCN(Cc3scnc3Cl)C2)cc1 ZINC001137823715 1131419813 /nfs/dbraw/zinc/41/98/13/1131419813.db2.gz OHHPWLQHLQMZKJ-LLVKDONJSA-N 0 1 296.798 3.925 20 0 CHADMN Cc1cccc(C)c1CN1CCCC(F)(F)[C@H](F)C1 ZINC001137847981 1131422988 /nfs/dbraw/zinc/42/29/88/1131422988.db2.gz NRZKTMIXYODWKR-CQSZACIVSA-N 0 1 271.326 3.873 20 0 CHADMN Fc1cc(F)c(F)c(CN2CC[C@@H]3CCC[C@H]3C2)c1 ZINC001137868293 1131425742 /nfs/dbraw/zinc/42/57/42/1131425742.db2.gz HFXDWVPTNHOCCG-QWRGUYRKSA-N 0 1 269.310 3.726 20 0 CHADMN C[C@@]1(c2ccccc2)CCN(Cc2cc(F)ncc2F)C1 ZINC000823470071 1131428067 /nfs/dbraw/zinc/42/80/67/1131428067.db2.gz FYUOTCFBAIFVTH-QGZVFWFLSA-N 0 1 288.341 3.523 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1cc(F)ncc1F ZINC000823471258 1131428980 /nfs/dbraw/zinc/42/89/80/1131428980.db2.gz RYTAZLYTIYMFON-IUODEOHRSA-N 0 1 288.341 3.738 20 0 CHADMN Cc1ccnc(CN2CCC[C@@]2(C)Cc2ccccc2F)n1 ZINC000829764760 1131431839 /nfs/dbraw/zinc/43/18/39/1131431839.db2.gz WKDYYEITIQNUSD-SFHVURJKSA-N 0 1 299.393 3.521 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1c(F)ccc(F)c1F ZINC001137933659 1131438376 /nfs/dbraw/zinc/43/83/76/1131438376.db2.gz PDMDGRKPJLDXIM-CYBMUJFWSA-N 0 1 257.299 3.724 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1cc(C2CC2)nn1C ZINC000823737377 1131439224 /nfs/dbraw/zinc/43/92/24/1131439224.db2.gz XVKVQZYABRQTTO-ZDUSSCGKSA-N 0 1 299.418 3.547 20 0 CHADMN CN(C/C(Cl)=C\Cl)C1CCC(F)(F)CC1 ZINC000805838447 1131441752 /nfs/dbraw/zinc/44/17/52/1131441752.db2.gz BAQSEUJLNTZGFZ-SOFGYWHQSA-N 0 1 258.139 3.815 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccnc(Cl)c1F)CC2 ZINC000823807947 1131441892 /nfs/dbraw/zinc/44/18/92/1131441892.db2.gz UGGLPGRDYBXPKD-CQSZACIVSA-N 0 1 290.769 3.960 20 0 CHADMN Fc1c(Cl)cccc1CN1CCC2(CCCOC2)CC1 ZINC001137963352 1131442618 /nfs/dbraw/zinc/44/26/18/1131442618.db2.gz FAMFNJWKGGSFOV-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN Cc1ccc(CN2CCC3(CCC3)C2)c(F)c1F ZINC001137969965 1131443547 /nfs/dbraw/zinc/44/35/47/1131443547.db2.gz QEGRMHJAZFLDKY-UHFFFAOYSA-N 0 1 251.320 3.649 20 0 CHADMN FC1(F)CC2(CN([C@@H]3CCc4c(Cl)cccc4C3)C2)C1 ZINC001171035851 1131445621 /nfs/dbraw/zinc/44/56/21/1131445621.db2.gz ASJBVEKWIBVOQN-GFCCVEGCSA-N 0 1 297.776 3.928 20 0 CHADMN F[C@@H]1CN(Cc2cc3ccccc3nc2Cl)C[C@@H]2C[C@@H]21 ZINC001137973974 1131445917 /nfs/dbraw/zinc/44/59/17/1131445917.db2.gz ROMZPHMAKPLKME-FPMFFAJLSA-N 0 1 290.769 3.678 20 0 CHADMN CC[C@@H](C)c1ccc(C(=O)N(C)Cc2cn[nH]c2C)cc1 ZINC000824051489 1131451972 /nfs/dbraw/zinc/45/19/72/1131451972.db2.gz WWFCKPBTUKYUGU-GFCCVEGCSA-N 0 1 285.391 3.504 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H]3O[C@@H](C)C[C@H]3C2)c1Cl ZINC001138024544 1131453464 /nfs/dbraw/zinc/45/34/64/1131453464.db2.gz DOBDSSKXTWMRFT-SLEUVZQESA-N 0 1 297.801 3.787 20 0 CHADMN CC1(C)CCC(CNC(=O)c2cccc3nc[nH]c32)CC1 ZINC001138033893 1131455819 /nfs/dbraw/zinc/45/58/19/1131455819.db2.gz JTLQQUNIXIJIFO-UHFFFAOYSA-N 0 1 285.391 3.509 20 0 CHADMN Cc1cc(CNCc2cc(C3CC3)nn2C)ccc1Cl ZINC000824161286 1131456952 /nfs/dbraw/zinc/45/69/52/1131456952.db2.gz MOVPFQONBJMZCU-UHFFFAOYSA-N 0 1 289.810 3.549 20 0 CHADMN CN(Cc1nccs1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171051561 1131460882 /nfs/dbraw/zinc/46/08/82/1131460882.db2.gz WTEPOSGWVJJGBX-GFCCVEGCSA-N 0 1 292.835 3.786 20 0 CHADMN CC1(C)[C@@H]2C[N@H+](Cc3cc4c(cccc4Cl)[nH]3)C[C@@H]21 ZINC001136862482 1131465001 /nfs/dbraw/zinc/46/50/01/1131465001.db2.gz NLQSNAGJJBOBBL-BETUJISGSA-N 0 1 274.795 3.909 20 0 CHADMN CC(C)O[C@@H]1CCN(Cc2cc3c(cccc3Cl)[nH]2)C1 ZINC001136863702 1131465675 /nfs/dbraw/zinc/46/56/75/1131465675.db2.gz NPCJNZCHOVYKPJ-CYBMUJFWSA-N 0 1 292.810 3.821 20 0 CHADMN CN(Cc1cnc[nH]1)Cc1cccc(Oc2ccccc2)c1 ZINC001136873237 1131468837 /nfs/dbraw/zinc/46/88/37/1131468837.db2.gz KNRMVEDQUJGMEX-UHFFFAOYSA-N 0 1 293.370 3.834 20 0 CHADMN Clc1cccc2c1CC[C@@H](N1CCc3occc3C1)C2 ZINC001171055210 1131469177 /nfs/dbraw/zinc/46/91/77/1131469177.db2.gz DUEGQFWEHLJWDF-CQSZACIVSA-N 0 1 287.790 3.849 20 0 CHADMN Clc1ncc(CN2CCCC[C@@H]2C2CCC2)s1 ZINC000830989418 1131474928 /nfs/dbraw/zinc/47/49/28/1131474928.db2.gz UYOPFXVSVIUVGE-GFCCVEGCSA-N 0 1 270.829 3.951 20 0 CHADMN Cc1cc(CN(C)[C@H](CO)c2ccc(Cl)cc2)c(C)o1 ZINC000824690604 1131480024 /nfs/dbraw/zinc/48/00/24/1131480024.db2.gz IKGKZLQPBDQVMZ-MRXNPFEDSA-N 0 1 293.794 3.715 20 0 CHADMN Clc1ccc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)nc1 ZINC001136931750 1131481383 /nfs/dbraw/zinc/48/13/83/1131481383.db2.gz TUBOZTXYIMUZKN-BETUJISGSA-N 0 1 284.790 3.822 20 0 CHADMN C[C@@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)[C@H]1C ZINC001138244139 1131481508 /nfs/dbraw/zinc/48/15/08/1131481508.db2.gz XZNVMUABACCSBM-MNOVXSKESA-N 0 1 281.783 3.689 20 0 CHADMN CC(C)c1cnc(CNC[C@]2(C)CC2(Cl)Cl)s1 ZINC000824773933 1131483541 /nfs/dbraw/zinc/48/35/41/1131483541.db2.gz OSPNHEDETSOPLQ-NSHDSACASA-N 0 1 293.263 3.940 20 0 CHADMN C[C@@]1(CNCc2ccnc(Cl)c2F)CC1(Cl)Cl ZINC000824780346 1131483779 /nfs/dbraw/zinc/48/37/79/1131483779.db2.gz LOTFSZVAUZTTCM-JTQLQIEISA-N 0 1 297.588 3.548 20 0 CHADMN C[C@H](NC(=O)c1ccc(Cl)c(O)c1)c1cccs1 ZINC001138261442 1131484406 /nfs/dbraw/zinc/48/44/06/1131484406.db2.gz UOGOEZORQRBKBF-QMMMGPOBSA-N 0 1 281.764 3.598 20 0 CHADMN COc1c(F)ccc(CN2CCC3(CCC3)CC2)c1F ZINC001143321261 1131492877 /nfs/dbraw/zinc/49/28/77/1131492877.db2.gz ZXGCSXCQRBXSST-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN CCc1cccc2c(CN(C)Cc3cncs3)c[nH]c21 ZINC001138364956 1131495202 /nfs/dbraw/zinc/49/52/02/1131495202.db2.gz XMUIOGRPZIOBOQ-UHFFFAOYSA-N 0 1 285.416 3.819 20 0 CHADMN COc1c(F)ccc(CN2CC[C@H](C)C[C@@H]2C)c1F ZINC001143322084 1131495581 /nfs/dbraw/zinc/49/55/81/1131495581.db2.gz UGOOGQUNAXRMIQ-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN CCc1nc(CN[C@H](C)CCc2ccc(C)cc2)co1 ZINC000825055961 1131496099 /nfs/dbraw/zinc/49/60/99/1131496099.db2.gz CMYDUITXKQSLQE-CQSZACIVSA-N 0 1 272.392 3.656 20 0 CHADMN CCc1nc(CN[C@@H](C)CCc2ccc(C)cc2)co1 ZINC000825055958 1131496109 /nfs/dbraw/zinc/49/61/09/1131496109.db2.gz CMYDUITXKQSLQE-AWEZNQCLSA-N 0 1 272.392 3.656 20 0 CHADMN CCc1nc(CN[C@@H](C)C[C@@H](C)CC(C)C)co1 ZINC000825058168 1131497280 /nfs/dbraw/zinc/49/72/80/1131497280.db2.gz TWJWEOOSJHAABF-STQMWFEESA-N 0 1 252.402 3.787 20 0 CHADMN COc1ccccc1CN(C)Cc1c[nH]c2cccc(F)c12 ZINC001136984822 1131498156 /nfs/dbraw/zinc/49/81/56/1131498156.db2.gz SJBQUARWQASEFB-UHFFFAOYSA-N 0 1 298.361 3.948 20 0 CHADMN Cc1c2ccccc2[nH]c1CN1CCCC[C@H](F)C1 ZINC001138397195 1131498313 /nfs/dbraw/zinc/49/83/13/1131498313.db2.gz MFZAVXJAWMTLQX-ZDUSSCGKSA-N 0 1 260.356 3.800 20 0 CHADMN Brc1ccoc1CNc1ccc2c(n1)CCC2 ZINC000825124381 1131499715 /nfs/dbraw/zinc/49/97/15/1131499715.db2.gz OTCOBLAEVDHUGN-UHFFFAOYSA-N 0 1 293.164 3.538 20 0 CHADMN Cc1c2cc(F)ccc2[nH]c1CN1CCC(F)(F)CC1 ZINC001138412084 1131500394 /nfs/dbraw/zinc/50/03/94/1131500394.db2.gz XLUFLDLORGMUMF-UHFFFAOYSA-N 0 1 282.309 3.847 20 0 CHADMN Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCCC[C@@H](F)C1 ZINC001138410095 1131500452 /nfs/dbraw/zinc/50/04/52/1131500452.db2.gz SIEOCZNBCUQJPP-CYBMUJFWSA-N 0 1 278.346 3.939 20 0 CHADMN Cc1c2cc(F)ccc2[nH]c1CN1CCCC[C@@H](F)C1 ZINC001138410095 1131500454 /nfs/dbraw/zinc/50/04/54/1131500454.db2.gz SIEOCZNBCUQJPP-CYBMUJFWSA-N 0 1 278.346 3.939 20 0 CHADMN Cc1c2cc(F)ccc2[nH]c1CN(C)Cc1cccnc1C ZINC001138414563 1131501829 /nfs/dbraw/zinc/50/18/29/1131501829.db2.gz HCMMKJCWFDCIJM-UHFFFAOYSA-N 0 1 297.377 3.951 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cnc(OC)c(C)c1 ZINC001137007671 1131503186 /nfs/dbraw/zinc/50/31/86/1131503186.db2.gz IMMLVYRJAZYSJG-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN CCOc1ccc(CN(C)Cc2cccnc2C)c(C)c1 ZINC001138435199 1131504689 /nfs/dbraw/zinc/50/46/89/1131504689.db2.gz CDKWUXADCGORHU-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1ccc2c(c1)COC2 ZINC001137028612 1131509233 /nfs/dbraw/zinc/50/92/33/1131509233.db2.gz WBAWLGKDKVRFAV-AWEZNQCLSA-N 0 1 297.398 3.918 20 0 CHADMN COc1ccc(CN(C)C2CC(F)(F)C2)cc1Cl ZINC001138468198 1131509261 /nfs/dbraw/zinc/50/92/61/1131509261.db2.gz GYWIZRRFOFHBQL-UHFFFAOYSA-N 0 1 275.726 3.578 20 0 CHADMN COc1ccc(CN2CC[C@@](C)(CF)C2)cc1Cl ZINC001138469860 1131509439 /nfs/dbraw/zinc/50/94/39/1131509439.db2.gz HENKHDMMPCWZAS-AWEZNQCLSA-N 0 1 271.763 3.530 20 0 CHADMN c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)COC3)CCS2 ZINC001137029061 1131509449 /nfs/dbraw/zinc/50/94/49/1131509449.db2.gz OANQHSQRTMYVJZ-UHFFFAOYSA-N 0 1 297.423 3.825 20 0 CHADMN c1ccc2c(c1)CN(Cc1ccc3c(c1)COC3)CCS2 ZINC001137029061 1131509451 /nfs/dbraw/zinc/50/94/51/1131509451.db2.gz OANQHSQRTMYVJZ-UHFFFAOYSA-N 0 1 297.423 3.825 20 0 CHADMN COC(=O)c1ccc(Nc2ccc3[nH]c(C)nc3c2)cc1C ZINC001213073592 1131509688 /nfs/dbraw/zinc/50/96/88/1131509688.db2.gz SAAMOWDRMREJFB-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN CCN(Cc1cccnc1)Cc1ccc(OC)c(Cl)c1 ZINC001138474390 1131510520 /nfs/dbraw/zinc/51/05/20/1131510520.db2.gz MEWLSKHKJOKURQ-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN COc1ccc(CN2CCC[C@@H](C(F)F)C2)cc1Cl ZINC001138474397 1131510675 /nfs/dbraw/zinc/51/06/75/1131510675.db2.gz MMXQWNATNDWMRH-LLVKDONJSA-N 0 1 289.753 3.826 20 0 CHADMN COc1ccc(C)cc1CN1CCCC[C@@](C)(F)C1 ZINC001138485542 1131511772 /nfs/dbraw/zinc/51/17/72/1131511772.db2.gz ZXIPSXWZMBXFGY-MRXNPFEDSA-N 0 1 265.372 3.718 20 0 CHADMN CCC/C=C/C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831879906 1131517247 /nfs/dbraw/zinc/51/72/47/1131517247.db2.gz PPLGRBJBRXHMGD-VIIAAUOXSA-N 0 1 289.423 3.595 20 0 CHADMN CC(C)c1cc([C@@H]2CCCN(C(=O)[C@H](C)C(C)C)C2)n[nH]1 ZINC000831904589 1131518598 /nfs/dbraw/zinc/51/85/98/1131518598.db2.gz FMHISLHUFXZJSR-ZIAGYGMSSA-N 0 1 291.439 3.531 20 0 CHADMN CCC[C@@H](C)C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831904611 1131519180 /nfs/dbraw/zinc/51/91/80/1131519180.db2.gz FWLWPICUZPJCNZ-ZIAGYGMSSA-N 0 1 291.439 3.675 20 0 CHADMN C(c1nnc(C2CC2)n1C1CC1)N1CCCCCCCC1 ZINC000831936498 1131522124 /nfs/dbraw/zinc/52/21/24/1131522124.db2.gz CJLMVXJBGKCPEE-UHFFFAOYSA-N 0 1 288.439 3.647 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1ccccc1N1CCCCC1 ZINC001138605170 1131526055 /nfs/dbraw/zinc/52/60/55/1131526055.db2.gz NBTSYYUTXDGYLK-ZBFHGGJFSA-N 0 1 276.399 3.609 20 0 CHADMN CCN(C)Cc1ccc(C(F)(F)F)cc1Cl ZINC001143706927 1131526093 /nfs/dbraw/zinc/52/60/93/1131526093.db2.gz TWXVQIIVENVRJD-UHFFFAOYSA-N 0 1 251.679 3.811 20 0 CHADMN Fc1ccccc1-n1cccc1CN1CCC(F)CC1 ZINC001138632169 1131529063 /nfs/dbraw/zinc/52/90/63/1131529063.db2.gz OCNXODAQKVNYQR-UHFFFAOYSA-N 0 1 276.330 3.550 20 0 CHADMN Cc1c(F)cc(F)cc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001143761650 1131529469 /nfs/dbraw/zinc/52/94/69/1131529469.db2.gz PRAOENMMAOTUNH-STQMWFEESA-N 0 1 265.347 3.895 20 0 CHADMN Cc1c(F)cc(F)cc1C[N@@H+]1C[C@H](C)CC12CC2 ZINC001143768789 1131530542 /nfs/dbraw/zinc/53/05/42/1131530542.db2.gz BMVVZZMKMLZMBJ-SNVBAGLBSA-N 0 1 251.320 3.648 20 0 CHADMN COc1cc(C)c(CN2CCc3cnccc3C2)c(C)c1C ZINC001138723574 1131543071 /nfs/dbraw/zinc/54/30/71/1131543071.db2.gz UXEGLEPPHMKMST-UHFFFAOYSA-N 0 1 296.414 3.574 20 0 CHADMN C[C@H]1CN(Cc2ccnc(Br)c2)CCC[C@@H]1C ZINC001138731414 1131543740 /nfs/dbraw/zinc/54/37/40/1131543740.db2.gz RTYYAXQGSKXKJD-RYUDHWBXSA-N 0 1 297.240 3.712 20 0 CHADMN c1cc2cc(CN3CC[C@@H]3c3ccccc3)cnc2[nH]1 ZINC001138737203 1131543955 /nfs/dbraw/zinc/54/39/55/1131543955.db2.gz DVJWSJVAYSUBAV-MRXNPFEDSA-N 0 1 263.344 3.510 20 0 CHADMN COc1cc(Cl)cc(CN2C[C@H](C)CC23CC3)c1OC ZINC001138749940 1131546658 /nfs/dbraw/zinc/54/66/58/1131546658.db2.gz OEMZVOHVQITLLV-LLVKDONJSA-N 0 1 295.810 3.732 20 0 CHADMN c1csc([C@@H]2CCCN2Cc2cccc3ccnn32)c1 ZINC001138806459 1131550819 /nfs/dbraw/zinc/55/08/19/1131550819.db2.gz MNZBMVRWORZFDP-HNNXBMFYSA-N 0 1 283.400 3.733 20 0 CHADMN Cc1c(CN2CCC[C@]23CCOC3)cccc1C(F)(F)F ZINC001143929831 1131552354 /nfs/dbraw/zinc/55/23/54/1131552354.db2.gz BVJJGIBHDKVGSW-OAHLLOKOSA-N 0 1 299.336 3.769 20 0 CHADMN COc1ccc(CN2CC[C@H](C)C[C@@H]2C)c(F)c1F ZINC001143914643 1131554077 /nfs/dbraw/zinc/55/40/77/1131554077.db2.gz ASWQHTIVVJSUQT-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN COc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C)c(F)c1F ZINC001143914643 1131554074 /nfs/dbraw/zinc/55/40/74/1131554074.db2.gz ASWQHTIVVJSUQT-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN COC1CCN(Cc2cccc(C(F)(F)F)c2C)CC1 ZINC001143918218 1131554704 /nfs/dbraw/zinc/55/47/04/1131554704.db2.gz WCBHHNWXAKTYDU-UHFFFAOYSA-N 0 1 287.325 3.625 20 0 CHADMN O=C(c1cccc(CN2CCC23CCCC3)c1)C(F)(F)F ZINC000844361140 1131555101 /nfs/dbraw/zinc/55/51/01/1131555101.db2.gz WVDBCUNLCKVRMS-UHFFFAOYSA-N 0 1 297.320 3.950 20 0 CHADMN CCCN(Cc1cc(F)cnc1Cl)[C@@H](C)CC ZINC001138888531 1131558132 /nfs/dbraw/zinc/55/81/32/1131558132.db2.gz HTFUXLPSQIOAPO-JTQLQIEISA-N 0 1 258.768 3.885 20 0 CHADMN CC(=O)C1CCN(Cc2ccc(OCC(C)C)cc2)CC1 ZINC001138971241 1131567547 /nfs/dbraw/zinc/56/75/47/1131567547.db2.gz GHUWSZYHXAIBTG-UHFFFAOYSA-N 0 1 289.419 3.522 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CCC[C@@H]1C ZINC001139005613 1131571403 /nfs/dbraw/zinc/57/14/03/1131571403.db2.gz GGUWOGFTNWSDST-NSHDSACASA-N 0 1 253.773 3.723 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CC[C@@H](OC)C[C@@H]1C ZINC001139012394 1131572701 /nfs/dbraw/zinc/57/27/01/1131572701.db2.gz OMIKPYVNLCUDRS-SWLSCSKDSA-N 0 1 297.826 3.738 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3ccc(F)cc3)c2)CCO1 ZINC001139064723 1131578007 /nfs/dbraw/zinc/57/80/07/1131578007.db2.gz FPNWNDLASUZZDP-CQSZACIVSA-N 0 1 285.362 3.713 20 0 CHADMN c1c2ccccc2oc1CN1CCC[C@H]1c1cnccn1 ZINC001139065611 1131578808 /nfs/dbraw/zinc/57/88/08/1131578808.db2.gz HFOKCSBWZQXGJE-INIZCTEOSA-N 0 1 279.343 3.560 20 0 CHADMN Clc1ccc2c(c1)CC[C@H](N1CCc3ncccc3C1)C2 ZINC001171131302 1131579551 /nfs/dbraw/zinc/57/95/51/1131579551.db2.gz WKONKOHWGGNJMW-KRWDZBQOSA-N 0 1 298.817 3.651 20 0 CHADMN Cn1ccc2c1cccc2CN1CCC[C@@H]1c1nccs1 ZINC001139161037 1131589414 /nfs/dbraw/zinc/58/94/14/1131589414.db2.gz CVMCBDSGJDMODI-MRXNPFEDSA-N 0 1 297.427 3.972 20 0 CHADMN CCc1cc(CN2CCC(F)(F)CC2)cc(CC)c1O ZINC001144137518 1131589855 /nfs/dbraw/zinc/58/98/55/1131589855.db2.gz JGKOTHPGBWLOJS-UHFFFAOYSA-N 0 1 283.362 3.748 20 0 CHADMN Cn1ccc2cc(CN3CCC[C@](C)(F)C3)ccc21 ZINC001139188757 1131592291 /nfs/dbraw/zinc/59/22/91/1131592291.db2.gz NGZUSMVDONAKQL-INIZCTEOSA-N 0 1 260.356 3.502 20 0 CHADMN FC1(F)C[C@@]12CCN(Cn1c3ccccc3oc1=S)C2 ZINC000844759400 1131595429 /nfs/dbraw/zinc/59/54/29/1131595429.db2.gz LUEGENRWBOEHIZ-CYBMUJFWSA-N 0 1 296.342 3.652 20 0 CHADMN Fc1ccc2[nH]nc(CN3CCCc4ccccc4C3)c2c1 ZINC001144199592 1131596268 /nfs/dbraw/zinc/59/62/68/1131596268.db2.gz NYWXRKLEVVQUFC-UHFFFAOYSA-N 0 1 295.361 3.650 20 0 CHADMN Fc1ccc2n[nH]c(CN3CCCc4ccccc4C3)c2c1 ZINC001144199592 1131596270 /nfs/dbraw/zinc/59/62/70/1131596270.db2.gz NYWXRKLEVVQUFC-UHFFFAOYSA-N 0 1 295.361 3.650 20 0 CHADMN C[C@H]1CN(Cc2sccc2Br)C2(CC2)C1 ZINC001139314934 1131601448 /nfs/dbraw/zinc/60/14/48/1131601448.db2.gz VWIGPSVMLKNSMZ-SECBINFHSA-N 0 1 286.238 3.885 20 0 CHADMN CC1CC(N(C)Cc2sccc2Br)C1 ZINC001139309042 1131601385 /nfs/dbraw/zinc/60/13/85/1131601385.db2.gz BKNHYBSOGXVZDK-UHFFFAOYSA-N 0 1 274.227 3.741 20 0 CHADMN C[C@H]1c2cccn2CCN1Cc1ccc(-n2cccc2)cc1 ZINC001144245941 1131605517 /nfs/dbraw/zinc/60/55/17/1131605517.db2.gz MFQATZQAMOXAGZ-INIZCTEOSA-N 0 1 291.398 3.856 20 0 CHADMN Cc1cccc(C[N@@H+](Cc2ccc(O)cn2)C2CC2)c1C ZINC001144264093 1131607328 /nfs/dbraw/zinc/60/73/28/1131607328.db2.gz HWWDOWACZULVIS-UHFFFAOYSA-N 0 1 282.387 3.569 20 0 CHADMN Cc1cccc(CN(Cc2ccc(O)cn2)C2CC2)c1C ZINC001144264093 1131607331 /nfs/dbraw/zinc/60/73/31/1131607331.db2.gz HWWDOWACZULVIS-UHFFFAOYSA-N 0 1 282.387 3.569 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2ccc(-c3ccsc3)nc2)C1 ZINC001139501215 1131611805 /nfs/dbraw/zinc/61/18/05/1131611805.db2.gz PATZNFQJFJKBNP-WFASDCNBSA-N 0 1 290.407 3.990 20 0 CHADMN Cc1cc(CN2CC[C@H](C)C[C@H]2C)cnc1Cl ZINC001139545079 1131615491 /nfs/dbraw/zinc/61/54/91/1131615491.db2.gz QJIDVIRTUZNSKN-CMPLNLGQSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)C[C@@H]2C)cnc1Cl ZINC001139545081 1131615524 /nfs/dbraw/zinc/61/55/24/1131615524.db2.gz QJIDVIRTUZNSKN-PWSUYJOCSA-N 0 1 252.789 3.664 20 0 CHADMN CCc1cccc(C[N@@H+](C)Cc2ccc(C)nc2)c1 ZINC001144326612 1131618148 /nfs/dbraw/zinc/61/81/48/1131618148.db2.gz JCNHGWGHYHLKEU-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN CCc1cccc(CN(C)Cc2ccc(C)nc2)c1 ZINC001144326612 1131618150 /nfs/dbraw/zinc/61/81/50/1131618150.db2.gz JCNHGWGHYHLKEU-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN CCc1cccc(CN(C)Cc2cccnc2C)c1 ZINC001144326829 1131619314 /nfs/dbraw/zinc/61/93/14/1131619314.db2.gz VWUNAPAJDQCXSL-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN CCOc1ccc(CN2CCC[C@H](OCC)C2)cc1Cl ZINC001139595301 1131619306 /nfs/dbraw/zinc/61/93/06/1131619306.db2.gz HTICSXGOWJKLSG-AWEZNQCLSA-N 0 1 297.826 3.740 20 0 CHADMN Cc1cnc(Cl)c(CN2CCCC3(CCC3)C2)c1 ZINC001139592654 1131619742 /nfs/dbraw/zinc/61/97/42/1131619742.db2.gz WJCHQMINPBRJPA-UHFFFAOYSA-N 0 1 264.800 3.810 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(C)cnc2Cl)C1 ZINC001139595058 1131619806 /nfs/dbraw/zinc/61/98/06/1131619806.db2.gz IGMAWRVOKMRTFG-GFCCVEGCSA-N 0 1 252.789 3.665 20 0 CHADMN CCCO[C@H]1CCN(Cc2ccc(OCC)c(Cl)c2)C1 ZINC001139596062 1131619816 /nfs/dbraw/zinc/61/98/16/1131619816.db2.gz QQPOSNMASJASHT-AWEZNQCLSA-N 0 1 297.826 3.740 20 0 CHADMN COc1cc(C[N@@H+](C)C2CC(F)(F)C2)ccc1Cl ZINC001139611182 1131621630 /nfs/dbraw/zinc/62/16/30/1131621630.db2.gz LOJBCJHNYORRPJ-UHFFFAOYSA-N 0 1 275.726 3.578 20 0 CHADMN COc1cc(CN(C)C2CC(F)(F)C2)ccc1Cl ZINC001139611182 1131621632 /nfs/dbraw/zinc/62/16/32/1131621632.db2.gz LOJBCJHNYORRPJ-UHFFFAOYSA-N 0 1 275.726 3.578 20 0 CHADMN COc1cc(C[N@@H+](C)Cc2ccccc2)ccc1Cl ZINC001139610351 1131621853 /nfs/dbraw/zinc/62/18/53/1131621853.db2.gz DHBPMTJAJMAQFH-UHFFFAOYSA-N 0 1 275.779 3.981 20 0 CHADMN Oc1ccc(CN2CCCC23CC3)c(C(F)(F)F)c1 ZINC001144379749 1131623159 /nfs/dbraw/zinc/62/31/59/1131623159.db2.gz CFBZDCYUYHVCFL-UHFFFAOYSA-N 0 1 271.282 3.539 20 0 CHADMN Oc1ccc(CN2CCC3(CC3)CC2)c(C(F)(F)F)c1 ZINC001144380632 1131623419 /nfs/dbraw/zinc/62/34/19/1131623419.db2.gz KLKYQOFGUIOJBC-UHFFFAOYSA-N 0 1 285.309 3.787 20 0 CHADMN CCCCC1CCN(Cc2cnccc2OCC)CC1 ZINC001139626813 1131624432 /nfs/dbraw/zinc/62/44/32/1131624432.db2.gz WVLCDVSKYGENGI-UHFFFAOYSA-N 0 1 276.424 3.883 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc(C)nc2)cc1CC ZINC001139625197 1131624666 /nfs/dbraw/zinc/62/46/66/1131624666.db2.gz BSZKDOBXBRLYRZ-UHFFFAOYSA-N 0 1 298.430 3.983 20 0 CHADMN Cc1nc2cc(C)ccn2c1C[N@H+]1CCCC[C@@](C)(F)C1 ZINC001139675282 1131628068 /nfs/dbraw/zinc/62/80/68/1131628068.db2.gz PAPYTFPAFJTXQY-QGZVFWFLSA-N 0 1 289.398 3.665 20 0 CHADMN Cc1nc2cc(C)ccn2c1CN1CCCC[C@@](C)(F)C1 ZINC001139675282 1131628070 /nfs/dbraw/zinc/62/80/70/1131628070.db2.gz PAPYTFPAFJTXQY-QGZVFWFLSA-N 0 1 289.398 3.665 20 0 CHADMN COc1ncc(Cl)cc1CN1CCC[C@H]2CCCC[C@H]21 ZINC001139749860 1131634168 /nfs/dbraw/zinc/63/41/68/1131634168.db2.gz MFWMXKSEKAIPSS-IUODEOHRSA-N 0 1 294.826 3.898 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(Cl)cnc1OC ZINC001139749097 1131634462 /nfs/dbraw/zinc/63/44/62/1131634462.db2.gz LOSJZHQSKXOWNB-ZDUSSCGKSA-N 0 1 268.788 3.508 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2ccccc2C(F)F)C1 ZINC001139795802 1131636739 /nfs/dbraw/zinc/63/67/39/1131636739.db2.gz PMRNNCSQJZDTTJ-JQWIXIFHSA-N 0 1 257.299 3.804 20 0 CHADMN Cc1ccc([C@H](C)C(=O)Nc2nc3cccc(C)c3[nH]2)cc1 ZINC001144443161 1131636730 /nfs/dbraw/zinc/63/67/30/1131636730.db2.gz WHVSNFKHIBYFCO-ZDUSSCGKSA-N 0 1 293.370 3.922 20 0 CHADMN FC(F)c1ccccc1CN1CC(c2cccnc2)C1 ZINC001139798597 1131637338 /nfs/dbraw/zinc/63/73/38/1131637338.db2.gz AJCIZQZBCKBNHX-UHFFFAOYSA-N 0 1 274.314 3.619 20 0 CHADMN Cc1nc(-c2ccccc2)sc1CN1CC(C)(C)C1 ZINC001139820784 1131638990 /nfs/dbraw/zinc/63/89/90/1131638990.db2.gz KDKJLYUMZOQFKJ-UHFFFAOYSA-N 0 1 272.417 3.960 20 0 CHADMN COc1ncc(CN2CCC(c3ccccc3)CC2)s1 ZINC001139813589 1131639228 /nfs/dbraw/zinc/63/92/28/1131639228.db2.gz QXWRJBSIZQSKJG-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN Fc1cc(CN2CC[C@@H](c3ccccc3Cl)C2)ccn1 ZINC001139834005 1131640076 /nfs/dbraw/zinc/64/00/76/1131640076.db2.gz WYMHRUJBNFAKHC-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1cnc(OC)c(F)c1 ZINC001144467215 1131640471 /nfs/dbraw/zinc/64/04/71/1131640471.db2.gz AADLJXKPXYOIQI-INIZCTEOSA-N 0 1 288.366 3.812 20 0 CHADMN CN(Cc1cc2ccccc2n1C)Cc1cccc(F)c1 ZINC001139867504 1131642099 /nfs/dbraw/zinc/64/20/99/1131642099.db2.gz CZZFYWXFAWLOOO-UHFFFAOYSA-N 0 1 282.362 3.949 20 0 CHADMN Cn1c(CN2CCC[C@@H]3CCC[C@@H]32)cc2ccccc21 ZINC001139871622 1131644301 /nfs/dbraw/zinc/64/43/01/1131644301.db2.gz IMKQWBYXASBTNF-KSSFIOAISA-N 0 1 268.404 3.943 20 0 CHADMN COc1cc(Cl)cc(CN2CCC[C@H](C(F)F)C2)c1 ZINC001144488862 1131645147 /nfs/dbraw/zinc/64/51/47/1131645147.db2.gz WTKUFEQCXYRENI-NSHDSACASA-N 0 1 289.753 3.826 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1CN1CCC[C@@H]2C[C@@H]21 ZINC001139886715 1131646513 /nfs/dbraw/zinc/64/65/13/1131646513.db2.gz JTPVOPYWMPLIBO-RISCZKNCSA-N 0 1 269.310 3.998 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001139887312 1131646902 /nfs/dbraw/zinc/64/69/02/1131646902.db2.gz NTLKLVCAIAVJSE-UBHSHLNASA-N 0 1 287.300 3.946 20 0 CHADMN [O-]c1cc(F)c(C[N@@H+]2CC[C@H](c3ccccc3)C2)c(F)c1 ZINC001144541666 1131653658 /nfs/dbraw/zinc/65/36/58/1131653658.db2.gz JIHDZZDSLPMXCE-ZDUSSCGKSA-N 0 1 289.325 3.660 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CC[C@H](c3ccccc3)C2)c(F)c1 ZINC001144541666 1131653659 /nfs/dbraw/zinc/65/36/59/1131653659.db2.gz JIHDZZDSLPMXCE-ZDUSSCGKSA-N 0 1 289.325 3.660 20 0 CHADMN Clc1ncc(CN2CCC[C@@H](c3ccccc3)C2)cn1 ZINC001139990352 1131654979 /nfs/dbraw/zinc/65/49/79/1131654979.db2.gz PEZJXZGGXJHHOS-OAHLLOKOSA-N 0 1 287.794 3.510 20 0 CHADMN FC(F)[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cn2)C1 ZINC001139998830 1131655617 /nfs/dbraw/zinc/65/56/17/1131655617.db2.gz HQFNQFQGEYSZBM-CQSZACIVSA-N 0 1 276.330 3.712 20 0 CHADMN CC[C@@H](COC(=O)c1cc(-c2ccco2)n[nH]1)CC(F)F ZINC000845766153 1131658862 /nfs/dbraw/zinc/65/88/62/1131658862.db2.gz FFLSXZGPALHZGY-SECBINFHSA-N 0 1 298.289 3.508 20 0 CHADMN COc1c(Cl)cccc1C[N@H+]1CCCC[C@H]1C ZINC001140056450 1131659961 /nfs/dbraw/zinc/65/99/61/1131659961.db2.gz XKEXFTYEPXRYCA-LLVKDONJSA-N 0 1 253.773 3.723 20 0 CHADMN COc1c(Cl)cccc1CN1CCCC[C@H]1C ZINC001140056450 1131659962 /nfs/dbraw/zinc/65/99/62/1131659962.db2.gz XKEXFTYEPXRYCA-LLVKDONJSA-N 0 1 253.773 3.723 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CCC3(C2)CCCCC3)c1 ZINC001140052822 1131660200 /nfs/dbraw/zinc/66/02/00/1131660200.db2.gz CFOAAGLNOWHRFU-UHFFFAOYSA-N 0 1 263.356 3.688 20 0 CHADMN CCCN(CC)Cc1cnc(Br)cc1Cl ZINC001140074671 1131661496 /nfs/dbraw/zinc/66/14/96/1131661496.db2.gz PGSMTTRQAIVYHU-UHFFFAOYSA-N 0 1 291.620 3.729 20 0 CHADMN FC(F)(F)c1ccnc(CN2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC001140105172 1131664672 /nfs/dbraw/zinc/66/46/72/1131664672.db2.gz PPNMZLDBPCMJBZ-NWDGAFQWSA-N 0 1 284.325 3.722 20 0 CHADMN Oc1ccc(CN2CCC[C@@H]2c2cccs2)c(F)c1 ZINC001140127435 1131665548 /nfs/dbraw/zinc/66/55/48/1131665548.db2.gz UEWIEEVYWSDQAE-CQSZACIVSA-N 0 1 277.364 3.930 20 0 CHADMN CC(=O)n1cc(CN2CCC(F)(F)CC2)c2ccccc21 ZINC001204406982 1131665983 /nfs/dbraw/zinc/66/59/83/1131665983.db2.gz LGUVDCXSLAKKBO-UHFFFAOYSA-N 0 1 292.329 3.533 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(O)cc2F)cc1C ZINC001140129311 1131666280 /nfs/dbraw/zinc/66/62/80/1131666280.db2.gz ADWAYORBLBZCGR-UHFFFAOYSA-N 0 1 273.351 3.780 20 0 CHADMN CN(Cc1ccc(O)cc1F)Cc1cccc2cccnc21 ZINC001140128765 1131666413 /nfs/dbraw/zinc/66/64/13/1131666413.db2.gz BWGIMBWZVOEAOG-UHFFFAOYSA-N 0 1 296.345 3.712 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2ccc(O)cc2F)cc1 ZINC001140129236 1131666761 /nfs/dbraw/zinc/66/67/61/1131666761.db2.gz XTQIDODEHSYLNK-GFCCVEGCSA-N 0 1 289.350 3.733 20 0 CHADMN CC(C)N(Cc1ncn2ccccc12)Cc1ccccc1 ZINC001144610997 1131666811 /nfs/dbraw/zinc/66/68/11/1131666811.db2.gz HEOQUBZVSVPJCX-UHFFFAOYSA-N 0 1 279.387 3.745 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2ncn3ccccc23)cc1 ZINC001144622878 1131669457 /nfs/dbraw/zinc/66/94/57/1131669457.db2.gz OZFBJGPKLFKVDR-GOSISDBHSA-N 0 1 291.398 3.980 20 0 CHADMN COc1cc(CN(Cc2ccco2)C2CC2)ccc1C ZINC001140160247 1131670596 /nfs/dbraw/zinc/67/05/96/1131670596.db2.gz UNLLVKBKVYQQLB-UHFFFAOYSA-N 0 1 271.360 3.761 20 0 CHADMN c1cc2c(o1)CCN(Cc1ccc(-c3ccncc3)cc1)C2 ZINC001140171531 1131671276 /nfs/dbraw/zinc/67/12/76/1131671276.db2.gz QDPZRWJZQRMMKU-UHFFFAOYSA-N 0 1 290.366 3.900 20 0 CHADMN C[C@H]1CCN(Cc2ccc(-c3ccncc3)cc2)CCC1=O ZINC001140168778 1131671349 /nfs/dbraw/zinc/67/13/49/1131671349.db2.gz LHUXWPQRBVKHQD-HNNXBMFYSA-N 0 1 294.398 3.550 20 0 CHADMN CCN(C)c1ccccc1CNCc1cc2cnccc2o1 ZINC000845934125 1131671832 /nfs/dbraw/zinc/67/18/32/1131671832.db2.gz LNLCTGSZEJJQON-UHFFFAOYSA-N 0 1 295.386 3.574 20 0 CHADMN CCc1cccc(CNCc2cc(C)cc(Cl)n2)c1 ZINC000845969171 1131673402 /nfs/dbraw/zinc/67/34/02/1131673402.db2.gz MSUXPXCNKLROBQ-UHFFFAOYSA-N 0 1 274.795 3.896 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CC[C@H](c3ccccc3)C2)cc1F ZINC001144646774 1131673721 /nfs/dbraw/zinc/67/37/21/1131673721.db2.gz JRSCYOSIYCKXII-ZDUSSCGKSA-N 0 1 289.325 3.660 20 0 CHADMN Cc1cc(CN(Cc2ccco2)C2CC2)c(C)cc1O ZINC001140202637 1131675969 /nfs/dbraw/zinc/67/59/69/1131675969.db2.gz UQMRNFUDRGDZFE-UHFFFAOYSA-N 0 1 271.360 3.767 20 0 CHADMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1sccc1C(=O)[O-] ZINC001144665722 1131677219 /nfs/dbraw/zinc/67/72/19/1131677219.db2.gz SXSSZZJBYYATHJ-LLVKDONJSA-N 0 1 287.384 3.566 20 0 CHADMN CC(C)O[C@@H]1CCCN(Cc2cc(Cl)cs2)C1 ZINC000846013820 1131677926 /nfs/dbraw/zinc/67/79/26/1131677926.db2.gz DWZMURFUZWCCLB-GFCCVEGCSA-N 0 1 273.829 3.791 20 0 CHADMN Oc1cccc2[nH]cc(CN(Cc3ccco3)C3CC3)c21 ZINC001140235206 1131680044 /nfs/dbraw/zinc/68/00/44/1131680044.db2.gz TURJSGXYTNEERU-UHFFFAOYSA-N 0 1 282.343 3.631 20 0 CHADMN CCCN(CCC)c1ccc(NCc2ccn(C)n2)cc1 ZINC000846058308 1131680459 /nfs/dbraw/zinc/68/04/59/1131680459.db2.gz PSLFDNLBKXJXPX-UHFFFAOYSA-N 0 1 286.423 3.659 20 0 CHADMN COc1cc2ccccc2cc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000846113800 1131688138 /nfs/dbraw/zinc/68/81/38/1131688138.db2.gz QDUMADJONNKMCF-GASCZTMLSA-N 0 1 289.325 3.545 20 0 CHADMN CC[C@@H](NCc1cccc2c1OCCO2)c1ccsc1 ZINC000834650305 1131690167 /nfs/dbraw/zinc/69/01/67/1131690167.db2.gz IWSICMWFYPQXBS-CQSZACIVSA-N 0 1 289.400 3.760 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccc3c2OCCO3)cs1 ZINC000834650991 1131690753 /nfs/dbraw/zinc/69/07/53/1131690753.db2.gz SQLGWIFDFPVCMU-GFCCVEGCSA-N 0 1 289.400 3.679 20 0 CHADMN F[C@@H]1C[N@@H+](Cc2cccc3cc[nH]c32)CCCC1(F)F ZINC001144709838 1131691312 /nfs/dbraw/zinc/69/13/12/1131691312.db2.gz JDFPIEWPKMYCAZ-CYBMUJFWSA-N 0 1 282.309 3.737 20 0 CHADMN F[C@@H]1CN(Cc2cccc3cc[nH]c32)CCCC1(F)F ZINC001144709838 1131691313 /nfs/dbraw/zinc/69/13/13/1131691313.db2.gz JDFPIEWPKMYCAZ-CYBMUJFWSA-N 0 1 282.309 3.737 20 0 CHADMN CN(Cc1cc(F)c(F)cc1Cl)CC1CCC1 ZINC001144726141 1131692210 /nfs/dbraw/zinc/69/22/10/1131692210.db2.gz GMFNRYCICDQMEK-UHFFFAOYSA-N 0 1 259.727 3.850 20 0 CHADMN C[C@H]1CCN(Cc2ccccc2-c2cccnc2)CCC1=O ZINC001140314933 1131694999 /nfs/dbraw/zinc/69/49/99/1131694999.db2.gz DIHVLOIQPINUKW-HNNXBMFYSA-N 0 1 294.398 3.550 20 0 CHADMN CCN(Cc1cccs1)Cc1n[nH]c2ccc(C)cc21 ZINC001140333867 1131701500 /nfs/dbraw/zinc/70/15/00/1131701500.db2.gz UUBLDWCNVSBHTC-UHFFFAOYSA-N 0 1 285.416 3.955 20 0 CHADMN CCN(Cc1cccs1)Cc1[nH]nc2ccc(C)cc21 ZINC001140333867 1131701502 /nfs/dbraw/zinc/70/15/02/1131701502.db2.gz UUBLDWCNVSBHTC-UHFFFAOYSA-N 0 1 285.416 3.955 20 0 CHADMN CC[C@@H]1CCCCN1Cc1c(F)ccc(F)c1OC ZINC001144755593 1131702722 /nfs/dbraw/zinc/70/27/22/1131702722.db2.gz NAQCWBAPWFOTCD-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCC[C@@H]2CCC[C@H]21 ZINC001144755737 1131702880 /nfs/dbraw/zinc/70/28/80/1131702880.db2.gz UXJKQYPASQUNFX-XHDPSFHLSA-N 0 1 281.346 3.738 20 0 CHADMN CCc1ccc([C@H]2CCCCC[N@H+]2C/C=C(/C)C(=O)[O-])o1 ZINC000846249331 1131703880 /nfs/dbraw/zinc/70/38/80/1131703880.db2.gz MVPSPZXIOMCGCS-VSKPTYQZSA-N 0 1 291.391 3.790 20 0 CHADMN Cc1ccc([C@@H](N[C@H]2CCn3ccnc32)C2CCC2)cc1 ZINC000834832529 1131708389 /nfs/dbraw/zinc/70/83/89/1131708389.db2.gz PSNCRIYKFBDTNT-IRXDYDNUSA-N 0 1 281.403 3.767 20 0 CHADMN F[C@@H]1CN(Cc2ccc(-c3ccccn3)cc2)C[C@@H]2C[C@@H]21 ZINC001140379628 1131708994 /nfs/dbraw/zinc/70/89/94/1131708994.db2.gz VHJHNCDNMZFNSH-YESZJQIVSA-N 0 1 282.362 3.538 20 0 CHADMN CCc1ccccc1O[C@@H]1CC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001227680661 1131722748 /nfs/dbraw/zinc/72/27/48/1131722748.db2.gz DRPGJIBOXDZROJ-NVXWUHKLSA-N 0 1 296.414 3.858 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1cnc2ccc(Cl)cn12 ZINC001140426342 1131730450 /nfs/dbraw/zinc/73/04/50/1131730450.db2.gz IRQACIUBOQUFGX-TXEJJXNPSA-N 0 1 277.799 3.751 20 0 CHADMN Cc1ccc(Cl)nc1CN1CC[C@@H](C)C(F)(F)CC1 ZINC001140442047 1131739118 /nfs/dbraw/zinc/73/91/18/1131739118.db2.gz VSXKORVEXCZRIL-LLVKDONJSA-N 0 1 288.769 3.911 20 0 CHADMN Cc1ccc(Cl)nc1CN1CCCc2ccccc2C1 ZINC001140443822 1131739538 /nfs/dbraw/zinc/73/95/38/1131739538.db2.gz BFKFSQXSGIYKCU-UHFFFAOYSA-N 0 1 286.806 3.992 20 0 CHADMN C[C@H](NCC1(Br)CC1)c1cccc(F)c1F ZINC000846846130 1131750866 /nfs/dbraw/zinc/75/08/66/1131750866.db2.gz COJRZANCGREWGZ-QMMMGPOBSA-N 0 1 290.151 3.543 20 0 CHADMN CCOc1cc(F)c(O[C@H]2CCCN(C(C)C)C2)c(F)c1 ZINC001227850383 1131750899 /nfs/dbraw/zinc/75/08/99/1131750899.db2.gz PXKKFOSRCRWTTQ-LBPRGKRZSA-N 0 1 299.361 3.615 20 0 CHADMN ClC1(Cl)C[C@@H]1CCN1CCC=C(c2ccccn2)C1 ZINC000846926766 1131759511 /nfs/dbraw/zinc/75/95/11/1131759511.db2.gz ZUEAXPZYRORNGP-ZDUSSCGKSA-N 0 1 297.229 3.755 20 0 CHADMN Cc1cccc(-c2nnc([C@H](C)N[C@@H]3CCC3(C)C)o2)c1 ZINC000846958111 1131763284 /nfs/dbraw/zinc/76/32/84/1131763284.db2.gz CAGQCOLFBINJMZ-GXTWGEPZSA-N 0 1 285.391 3.884 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccccc2C(=O)[O-])Cc2ccccc21 ZINC001140503226 1131770883 /nfs/dbraw/zinc/77/08/83/1131770883.db2.gz PRGOGCQVBBZNBC-UHFFFAOYSA-N 0 1 295.382 3.678 20 0 CHADMN CCC[N@@H+](Cc1cc2c(C)nn(C)c2nc1Cl)C(C)C ZINC000847030675 1131771809 /nfs/dbraw/zinc/77/18/09/1131771809.db2.gz FWRIUHQVFKXMDQ-UHFFFAOYSA-N 0 1 294.830 3.551 20 0 CHADMN Fc1cc(Cl)cc(CN2CC[C@H](c3ccncc3)C2)c1 ZINC001140538044 1131783303 /nfs/dbraw/zinc/78/33/03/1131783303.db2.gz CKVAYDGTXAWOJX-AWEZNQCLSA-N 0 1 290.769 3.864 20 0 CHADMN CCCCC[C@H](NC(=O)[C@@H]1CCN1C(C)(C)C)C(C)(C)C ZINC001146539047 1131790467 /nfs/dbraw/zinc/79/04/67/1131790467.db2.gz NXVUDYKOYNSLED-GJZGRUSLSA-N 0 1 296.499 3.970 20 0 CHADMN Cc1c2nc[nH]c2ccc1N[C@@H]1COCc2ccccc21 ZINC001171294995 1131808233 /nfs/dbraw/zinc/80/82/33/1131808233.db2.gz QTQLKNBTJPKPLI-MRXNPFEDSA-N 0 1 279.343 3.555 20 0 CHADMN CCN1CCN(Cc2cc(Cl)sc2Cl)C[C@H]1C ZINC001140588198 1131811306 /nfs/dbraw/zinc/81/13/06/1131811306.db2.gz GKRJYOHKXWNAOW-SECBINFHSA-N 0 1 293.263 3.581 20 0 CHADMN Cc1ccc(F)cc1CN(Cc1ccco1)C1CC1 ZINC001140594782 1131817342 /nfs/dbraw/zinc/81/73/42/1131817342.db2.gz OCCIIPKDGIAYEO-UHFFFAOYSA-N 0 1 259.324 3.892 20 0 CHADMN CN(Cc1ccccc1)Cc1ccc(OC(F)F)c(O)c1 ZINC001140624080 1131833581 /nfs/dbraw/zinc/83/35/81/1131833581.db2.gz FLRYVHAVBKITDS-UHFFFAOYSA-N 0 1 293.313 3.626 20 0 CHADMN F[C@H]1CN(Cc2csc3ccccc23)C[C@@H]2C[C@@H]21 ZINC001140636063 1131835639 /nfs/dbraw/zinc/83/56/39/1131835639.db2.gz ZIMJWWDCIFMIHA-BPNCWPANSA-N 0 1 261.365 3.691 20 0 CHADMN F[C@@H]1CN(Cc2csc3ccccc23)C[C@@H]2C[C@@H]21 ZINC001140636064 1131836168 /nfs/dbraw/zinc/83/61/68/1131836168.db2.gz ZIMJWWDCIFMIHA-LEWSCRJBSA-N 0 1 261.365 3.691 20 0 CHADMN C[C@@]1(F)CCN(Cc2cccc3ccncc32)C[C@@H]1F ZINC001140640348 1131840955 /nfs/dbraw/zinc/84/09/55/1131840955.db2.gz MCAQPQSBBLBMIL-JKSUJKDBSA-N 0 1 276.330 3.507 20 0 CHADMN Cc1ccc(Br)cc1CN1CCCC12CC2 ZINC001140646073 1131845285 /nfs/dbraw/zinc/84/52/85/1131845285.db2.gz VGGQMKRIILECOL-UHFFFAOYSA-N 0 1 280.209 3.886 20 0 CHADMN CCCCCC[N@@H+](C)CC(=O)N1[C@H](CC)CCC[C@@H]1C ZINC001148511756 1131858560 /nfs/dbraw/zinc/85/85/60/1131858560.db2.gz AJIXOXFNGQGRBU-JKSUJKDBSA-N 0 1 282.472 3.678 20 0 CHADMN CN(C/C=C\c1ccc(F)c(F)c1)Cc1cccnc1 ZINC000348118304 1131883851 /nfs/dbraw/zinc/88/38/51/1131883851.db2.gz OYAFWXAFXRKKFJ-HYXAFXHYSA-N 0 1 274.314 3.505 20 0 CHADMN C[C@H](Oc1[nH]c(=O)ncc1Cl)c1csc(Cl)c1 ZINC001228479249 1131892443 /nfs/dbraw/zinc/89/24/43/1131892443.db2.gz CAUSUQAXIUHYQD-YFKPBYRVSA-N 0 1 291.159 3.691 20 0 CHADMN Fc1cccc(CN2CCCC3(CCC3)C2)c1F ZINC000348165952 1131893793 /nfs/dbraw/zinc/89/37/93/1131893793.db2.gz GFBLAQVXLPSNNW-UHFFFAOYSA-N 0 1 251.320 3.731 20 0 CHADMN CC[C@H](Oc1[nH]c(=O)ncc1Cl)c1cccc(F)c1C ZINC001228483816 1131893850 /nfs/dbraw/zinc/89/38/50/1131893850.db2.gz ZEPJXFBNZWNJRU-LBPRGKRZSA-N 0 1 296.729 3.813 20 0 CHADMN Cc1cccc(-c2noc(CN3CCCC4(CCC4)C3)n2)c1 ZINC000348164838 1131894426 /nfs/dbraw/zinc/89/44/26/1131894426.db2.gz CDTNAKZCLZVZKI-UHFFFAOYSA-N 0 1 297.402 3.811 20 0 CHADMN Cc1cc(C)c(CNc2cnccc2-n2cccn2)cc1C ZINC000348145002 1131894462 /nfs/dbraw/zinc/89/44/62/1131894462.db2.gz RREFJBCLRFDKMX-UHFFFAOYSA-N 0 1 292.386 3.805 20 0 CHADMN CCC1CCN(Cc2c(Cl)cccc2OC)CC1 ZINC001140725572 1131897703 /nfs/dbraw/zinc/89/77/03/1131897703.db2.gz CDEFPIPOCLNQCP-UHFFFAOYSA-N 0 1 267.800 3.971 20 0 CHADMN CC[C@H]1CCC[C@@H]1NCc1nnc(Cc2ccccc2C)o1 ZINC000348175644 1131900493 /nfs/dbraw/zinc/90/04/93/1131900493.db2.gz YSNDYPIDZJYSPH-HOCLYGCPSA-N 0 1 299.418 3.637 20 0 CHADMN CCCCC[C@H](CC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228509344 1131900483 /nfs/dbraw/zinc/90/04/83/1131900483.db2.gz NEFDZAZLLQJIIA-VIFPVBQESA-N 0 1 282.775 3.744 20 0 CHADMN CCc1ccc(CN2CCC[C@@H](C(F)(F)F)[C@H]2C)cn1 ZINC000348184515 1131902695 /nfs/dbraw/zinc/90/26/95/1131902695.db2.gz HNMARZYYPNTSMC-BXUZGUMPSA-N 0 1 286.341 3.807 20 0 CHADMN C[C@H]1CCCCCN1Cc1cc(Br)ccn1 ZINC001140764676 1131909833 /nfs/dbraw/zinc/90/98/33/1131909833.db2.gz HNYLHRSVCGQCBW-NSHDSACASA-N 0 1 283.213 3.609 20 0 CHADMN Fc1cc(F)c2c(c1)C[C@H](N1CCCC[C@@H](F)C1)CC2 ZINC001171367523 1131916665 /nfs/dbraw/zinc/91/66/65/1131916665.db2.gz WKXDQEDGPWHQTJ-TZMCWYRMSA-N 0 1 283.337 3.646 20 0 CHADMN CN(Cc1coc2ccccc12)Cc1cccc2c1OCO2 ZINC001140786509 1131917799 /nfs/dbraw/zinc/91/77/99/1131917799.db2.gz QOSDQHGMDNBOLV-UHFFFAOYSA-N 0 1 295.338 3.794 20 0 CHADMN Oc1cc(Cl)cc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1 ZINC001140787255 1131917983 /nfs/dbraw/zinc/91/79/83/1131917983.db2.gz CQSABKOATCJOHA-PHIMTYICSA-N 0 1 287.737 3.523 20 0 CHADMN CN(Cc1ccc(F)cc1)Cc1cc(O)cc(Cl)c1 ZINC001140786536 1131918132 /nfs/dbraw/zinc/91/81/32/1131918132.db2.gz RHGLUCABWMVWKR-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN Cc1cc(COc2ccc3[nH]nnc3c2)ccc1OC(C)C ZINC001228662419 1131929572 /nfs/dbraw/zinc/92/95/72/1131929572.db2.gz GZFLMVXNSDJRFN-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN CC[C@@H](Oc1ccc2[nH]nnc2c1)c1cccc(F)c1C ZINC001228663660 1131929964 /nfs/dbraw/zinc/92/99/64/1131929964.db2.gz GPAZCJXTYFKNIU-MRXNPFEDSA-N 0 1 285.322 3.936 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2CCCc3c[nH]nc32)cc1F ZINC000773063977 1131934061 /nfs/dbraw/zinc/93/40/61/1131934061.db2.gz KXTBLENAHRSUAY-XHDPSFHLSA-N 0 1 273.355 3.585 20 0 CHADMN COc1ccc(CN2CCC[C@H](CF)C2)c(Cl)c1 ZINC001140822485 1131936340 /nfs/dbraw/zinc/93/63/40/1131936340.db2.gz UBCRTTAVXJMKFS-LLVKDONJSA-N 0 1 271.763 3.530 20 0 CHADMN CC[C@H](NCc1cccc(F)n1)c1cccs1 ZINC000773084739 1131937984 /nfs/dbraw/zinc/93/79/84/1131937984.db2.gz FHOXUHUKWANYBW-NSHDSACASA-N 0 1 250.342 3.523 20 0 CHADMN COc1cc(F)c(CN(CC2CC2)C(C)C)c(F)c1 ZINC001140826879 1131938639 /nfs/dbraw/zinc/93/86/39/1131938639.db2.gz RBGWZRJDLCNRCW-UHFFFAOYSA-N 0 1 269.335 3.594 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc(F)n2)cc1C ZINC000773084534 1131939049 /nfs/dbraw/zinc/93/90/49/1131939049.db2.gz CGRLZNBKSVKASN-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN CCc1ccc([C@H](C)NCc2cccc(F)n2)s1 ZINC000773084006 1131939790 /nfs/dbraw/zinc/93/97/90/1131939790.db2.gz AONCYCBZBIQLOS-JTQLQIEISA-N 0 1 264.369 3.695 20 0 CHADMN COCC[N@@H+](Cc1cc(Cl)c([O-])c(Cl)c1)C(C)C ZINC001140834197 1131941928 /nfs/dbraw/zinc/94/19/28/1131941928.db2.gz KBGZUNISYPQTIG-UHFFFAOYSA-N 0 1 292.206 3.556 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc(F)n2)c(C)c1 ZINC000773086438 1131941959 /nfs/dbraw/zinc/94/19/59/1131941959.db2.gz JAPCWTWUANZSFD-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN Fc1cccc(CN[C@H]2CCc3ccc(Cl)cc32)n1 ZINC000773091369 1131942600 /nfs/dbraw/zinc/94/26/00/1131942600.db2.gz WOCBLNMCMLLTDL-AWEZNQCLSA-N 0 1 276.742 3.651 20 0 CHADMN COc1cc(C)ccc1[C@H](C)N[C@@H](C)c1ccc[nH]1 ZINC000773117296 1131949742 /nfs/dbraw/zinc/94/97/42/1131949742.db2.gz ICJMRMCNSIEDTP-STQMWFEESA-N 0 1 258.365 3.744 20 0 CHADMN Cc1c[nH]c(CN2CCC3(CC2)OCc2ccccc23)c1C ZINC001140859996 1131950658 /nfs/dbraw/zinc/95/06/58/1131950658.db2.gz JLDVCTCZMISOMF-UHFFFAOYSA-N 0 1 296.414 3.653 20 0 CHADMN [O-]c1ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c(F)c1F ZINC001140892184 1131958879 /nfs/dbraw/zinc/95/88/79/1131958879.db2.gz DIXJVGZOQAYZEZ-VXGBXAGGSA-N 0 1 281.346 3.683 20 0 CHADMN CCCCN(Cc1cc(C)n[nH]1)Cc1ccccc1 ZINC001203076213 1131961720 /nfs/dbraw/zinc/96/17/20/1131961720.db2.gz YPZVYYZMLSRAOO-UHFFFAOYSA-N 0 1 257.381 3.520 20 0 CHADMN CCCCN(Cc1ccccc1)Cc1nccnc1C ZINC001140937706 1131967971 /nfs/dbraw/zinc/96/79/71/1131967971.db2.gz VOVRCVLXJFWKSU-UHFFFAOYSA-N 0 1 269.392 3.587 20 0 CHADMN Cc1cc(C[N@H+]2CCc3ccc(Cl)cc3[C@@H](C)C2)[nH]n1 ZINC001203081816 1131976361 /nfs/dbraw/zinc/97/63/61/1131976361.db2.gz HLDMYZHXGTXZBM-NSHDSACASA-N 0 1 289.810 3.533 20 0 CHADMN Cc1cc(CN2CCc3ccc(Cl)cc3[C@@H](C)C2)[nH]n1 ZINC001203081816 1131976378 /nfs/dbraw/zinc/97/63/78/1131976378.db2.gz HLDMYZHXGTXZBM-NSHDSACASA-N 0 1 289.810 3.533 20 0 CHADMN CCCOC(=O)[C@@H](C)N1CC(C)(C)C[C@@H]1c1ccccc1 ZINC001171407602 1131976638 /nfs/dbraw/zinc/97/66/38/1131976638.db2.gz MLOGEVLUDHXKQB-GDBMZVCRSA-N 0 1 289.419 3.801 20 0 CHADMN C[N@@H+](CCCF)Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000714924241 1131977309 /nfs/dbraw/zinc/97/73/09/1131977309.db2.gz LNTYKHZCRDDEOC-UHFFFAOYSA-N 0 1 299.342 3.530 20 0 CHADMN C[C@H]1CC[C@@H](Oc2ccc3c(c2)CC[N@H+](C)C3)CC1 ZINC001228943743 1131983103 /nfs/dbraw/zinc/98/31/03/1131983103.db2.gz JEUZMOCAUKZHCF-AKAXFMLLSA-N 0 1 259.393 3.632 20 0 CHADMN C[C@H](COc1ccc2c(c1)CC[N@H+](C)C2)Oc1ccccc1 ZINC001228943379 1131983981 /nfs/dbraw/zinc/98/39/81/1131983981.db2.gz GZNKENQKSVGQTE-OAHLLOKOSA-N 0 1 297.398 3.521 20 0 CHADMN CC[N@@H+](Cc1ccccc1)Cc1ccc2cccc(O)c2n1 ZINC001141018725 1131985416 /nfs/dbraw/zinc/98/54/16/1131985416.db2.gz IJNKIMOUEJOVIQ-UHFFFAOYSA-N 0 1 292.382 3.963 20 0 CHADMN C[C@@]1(F)CCCC[N@@H+](Cc2ccc3cccc(O)c3n2)C1 ZINC001141019576 1131986169 /nfs/dbraw/zinc/98/61/69/1131986169.db2.gz JSSWWOMJOVDMJZ-QGZVFWFLSA-N 0 1 288.366 3.655 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2ccc3cccc(O)c3n2)C1 ZINC001141019576 1131986174 /nfs/dbraw/zinc/98/61/74/1131986174.db2.gz JSSWWOMJOVDMJZ-QGZVFWFLSA-N 0 1 288.366 3.655 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccns2)s1 ZINC000715912478 1131994384 /nfs/dbraw/zinc/99/43/84/1131994384.db2.gz UEIUPNFJVNBRPR-UWVGGRQHSA-N 0 1 252.408 3.925 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccns2)s1 ZINC000715911688 1131993763 /nfs/dbraw/zinc/99/37/63/1131993763.db2.gz SVODNCKUKAVTGY-VIFPVBQESA-N 0 1 252.408 3.618 20 0 CHADMN C[C@@H](NCc1ccc(Br)cc1)c1ccns1 ZINC000715919941 1131996339 /nfs/dbraw/zinc/99/63/39/1131996339.db2.gz KTIIPGZDQMCMHI-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN Cc1ncoc1CN(Cc1cccc(C)c1C)C1CC1 ZINC001141055041 1131999777 /nfs/dbraw/zinc/99/97/77/1131999777.db2.gz KXKAGLJMZKJWKQ-UHFFFAOYSA-N 0 1 270.376 3.764 20 0 CHADMN COc1ccc2nc(Cl)c(CN3CC[C@H](C)C3)cc2c1 ZINC001141062925 1132001160 /nfs/dbraw/zinc/00/11/60/1132001160.db2.gz YCZSKZKGWPIYJV-NSHDSACASA-N 0 1 290.794 3.739 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccns2)cc1Cl ZINC000716034230 1132002494 /nfs/dbraw/zinc/00/24/94/1132002494.db2.gz QIQWKSQWVIHROF-VIFPVBQESA-N 0 1 282.796 3.656 20 0 CHADMN CCCCc1nc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)c[nH]1 ZINC001141071227 1132002721 /nfs/dbraw/zinc/00/27/21/1132002721.db2.gz GWGOFXMQRUKBQN-GASCZTMLSA-N 0 1 295.430 3.839 20 0 CHADMN CCCCc1ncc(CN(CC)Cc2cccc(F)c2)[nH]1 ZINC001141071257 1132004347 /nfs/dbraw/zinc/00/43/47/1132004347.db2.gz HQESBGDGVJWXLL-UHFFFAOYSA-N 0 1 289.398 3.914 20 0 CHADMN CC(C)c1ccc(N(C)C(=O)CN(C)CC(C)(C)C)cc1 ZINC001149784983 1132007826 /nfs/dbraw/zinc/00/78/26/1132007826.db2.gz BUILNJZLDDQNIH-UHFFFAOYSA-N 0 1 290.451 3.751 20 0 CHADMN F[C@@H]1CCN(Cc2ccccc2-c2cccs2)C1 ZINC001141093778 1132013794 /nfs/dbraw/zinc/01/37/94/1132013794.db2.gz NLQKTSOQLOBKTH-CYBMUJFWSA-N 0 1 261.365 3.959 20 0 CHADMN CN(Cc1cncnc1)Cc1ccccc1-c1cccs1 ZINC001141097409 1132015273 /nfs/dbraw/zinc/01/52/73/1132015273.db2.gz LLLRCVLMPIXPSO-UHFFFAOYSA-N 0 1 295.411 3.837 20 0 CHADMN Cc1[nH]nc(CN[C@H](C)c2ccc(F)cc2Cl)c1C ZINC000716458739 1132025721 /nfs/dbraw/zinc/02/57/21/1132025721.db2.gz JTNKQVZTMWNTPK-SNVBAGLBSA-N 0 1 281.762 3.670 20 0 CHADMN Cc1ccc(C[N@H+]2CCCC(F)(F)CC2)c(F)c1 ZINC001141191752 1132040576 /nfs/dbraw/zinc/04/05/76/1132040576.db2.gz SZDDMVHQRSBYNQ-UHFFFAOYSA-N 0 1 257.299 3.755 20 0 CHADMN Cc1ccc(CN2CCCC(F)(F)CC2)c(F)c1 ZINC001141191752 1132040582 /nfs/dbraw/zinc/04/05/82/1132040582.db2.gz SZDDMVHQRSBYNQ-UHFFFAOYSA-N 0 1 257.299 3.755 20 0 CHADMN COc1ccc(C(F)(F)F)cc1CN1C2CCC1CC2 ZINC001141202644 1132042510 /nfs/dbraw/zinc/04/25/10/1132042510.db2.gz OONBDABCOGDNEI-UHFFFAOYSA-N 0 1 285.309 3.841 20 0 CHADMN Cc1cc(Cl)ccc1CN1CC[C@@H]2CCCO[C@H]2C1 ZINC001141230661 1132052823 /nfs/dbraw/zinc/05/28/23/1132052823.db2.gz HVMQXRDBNKNMPH-BBRMVZONSA-N 0 1 279.811 3.649 20 0 CHADMN Cc1cc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)ccc1Cl ZINC001141233355 1132055283 /nfs/dbraw/zinc/05/52/83/1132055283.db2.gz QZLSCRZNHNJHRZ-NEPJUHHUSA-N 0 1 271.738 3.735 20 0 CHADMN Cc1nc2c(s1)CN([C@@H]1CCc3c(C)cccc3C1)C2 ZINC001171580504 1132061592 /nfs/dbraw/zinc/06/15/92/1132061592.db2.gz VNQZDTQTQSPYTP-CQSZACIVSA-N 0 1 284.428 3.633 20 0 CHADMN FC(F)Cn1ccnc1CN1CCC[C@H]1CC1CCCC1 ZINC001171632368 1132063114 /nfs/dbraw/zinc/06/31/14/1132063114.db2.gz ZJWCBGRDRTWACL-AWEZNQCLSA-N 0 1 297.393 3.693 20 0 CHADMN Cc1cccc(CN2CCCC[C@H]2c2cccnc2)n1 ZINC001204069558 1132063623 /nfs/dbraw/zinc/06/36/23/1132063623.db2.gz SXVRZANSYXJZAB-KRWDZBQOSA-N 0 1 267.376 3.512 20 0 CHADMN COc1cc(F)c(CN2[C@H](C)CCC[C@@H]2C)cc1OC ZINC001141272461 1132066526 /nfs/dbraw/zinc/06/65/26/1132066526.db2.gz OQXOOJFPDFVANQ-TXEJJXNPSA-N 0 1 281.371 3.606 20 0 CHADMN CCCC1CCN(Cc2cc(OC)c(OC)cc2F)CC1 ZINC001141281525 1132070449 /nfs/dbraw/zinc/07/04/49/1132070449.db2.gz AYWHDWBNYGBUBU-UHFFFAOYSA-N 0 1 295.398 3.855 20 0 CHADMN COc1ccsc1CN(C)C/C=C/c1ccccc1 ZINC001141327030 1132087095 /nfs/dbraw/zinc/08/70/95/1132087095.db2.gz FURSCIPQGUXCHS-RMKNXTFCSA-N 0 1 273.401 3.902 20 0 CHADMN COc1ccsc1C[N@H+]1CCSc2ccccc2C1 ZINC001141329454 1132088594 /nfs/dbraw/zinc/08/85/94/1132088594.db2.gz XPKGLVNMWWQQLD-UHFFFAOYSA-N 0 1 291.441 3.865 20 0 CHADMN COc1ccsc1CN1CCSc2ccccc2C1 ZINC001141329454 1132088602 /nfs/dbraw/zinc/08/86/02/1132088602.db2.gz XPKGLVNMWWQQLD-UHFFFAOYSA-N 0 1 291.441 3.865 20 0 CHADMN CCCCCc1cc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)n[nH]1 ZINC001141344329 1132095316 /nfs/dbraw/zinc/09/53/16/1132095316.db2.gz VHUYVAXRVUBGGU-ZFWWWQNUSA-N 0 1 291.439 3.793 20 0 CHADMN COc1cc(Cl)ncc1CN1CCCCCCCC1 ZINC001141347155 1132096259 /nfs/dbraw/zinc/09/62/59/1132096259.db2.gz YZIHACGKOHFPHT-UHFFFAOYSA-N 0 1 282.815 3.900 20 0 CHADMN CC[C@H]1CN(Cc2cnc3ccc(C)cc3c2)[C@@H](CC)CO1 ZINC001171779534 1132097230 /nfs/dbraw/zinc/09/72/30/1132097230.db2.gz ZHCJCCOYDOGRQO-ROUUACIJSA-N 0 1 298.430 3.933 20 0 CHADMN CN(Cc1ccc(F)cc1F)[C@@H]1Cc2cccc(F)c2C1 ZINC001171807015 1132104013 /nfs/dbraw/zinc/10/40/13/1132104013.db2.gz NKWLAPUHJDZJIO-CQSZACIVSA-N 0 1 291.316 3.703 20 0 CHADMN CC(C)(C)c1csc(CC2CCN(CCF)CC2)n1 ZINC001171893755 1132108593 /nfs/dbraw/zinc/10/85/93/1132108593.db2.gz VARQYVCYVCBPCH-UHFFFAOYSA-N 0 1 284.444 3.665 20 0 CHADMN CCCCCC[C@@H](C)CC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC001171879409 1132109836 /nfs/dbraw/zinc/10/98/36/1132109836.db2.gz QMRGWRSDSVRBJO-IAGOWNOFSA-N 0 1 296.499 3.782 20 0 CHADMN COc1ccc2nc(O[C@H](C)c3ccccc3OC)[nH]c2c1 ZINC001229731156 1132112276 /nfs/dbraw/zinc/11/22/76/1132112276.db2.gz WZXHAGDBZJEXFJ-LLVKDONJSA-N 0 1 298.342 3.720 20 0 CHADMN CCN(CC(=O)NC1CCC(C(C)(C)CC)CC1)C1CC1 ZINC001141417498 1132118789 /nfs/dbraw/zinc/11/87/89/1132118789.db2.gz ZSLBVGQAIBPWJO-UHFFFAOYSA-N 0 1 294.483 3.582 20 0 CHADMN Cc1csc([C@@H](C)N[C@H]2CSc3ccccc3C2)n1 ZINC001172182976 1132135324 /nfs/dbraw/zinc/13/53/24/1132135324.db2.gz ASPRJQOXYAOTRC-DGCLKSJQSA-N 0 1 290.457 3.819 20 0 CHADMN CN(Cc1ccc(Cl)cc1)C[C@H]1CC1(Cl)Cl ZINC000838483917 1132138443 /nfs/dbraw/zinc/13/84/43/1132138443.db2.gz VWNSLDKJGLCTJP-SNVBAGLBSA-N 0 1 278.610 3.966 20 0 CHADMN CC(C)N(C)C(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1 ZINC001141504037 1132143941 /nfs/dbraw/zinc/14/39/41/1132143941.db2.gz KVMOGLOIMYXLLK-UHFFFAOYSA-N 0 1 293.370 3.710 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cnc(C3CC3)nc2)s1 ZINC000838911520 1132156644 /nfs/dbraw/zinc/15/66/44/1132156644.db2.gz CKPGIJLFDKQUDG-LLVKDONJSA-N 0 1 273.405 3.575 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)N[C@H](C(C)=O)c1ccccc1 ZINC001172320729 1132158319 /nfs/dbraw/zinc/15/83/19/1132158319.db2.gz ZYWOQRUJCQZENY-JKIFEVAISA-N 0 1 277.408 3.500 20 0 CHADMN Cc1cc2[nH]ncc2cc1OCc1cncc(OC(C)C)c1 ZINC001230224862 1132161870 /nfs/dbraw/zinc/16/18/70/1132161870.db2.gz AYKPUVBZDHHODV-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN CCCC(=O)[C@H](CCC)Oc1cc2cn[nH]c2cc1C ZINC001230223376 1132162275 /nfs/dbraw/zinc/16/22/75/1132162275.db2.gz PXOKAOQBGXSHKA-HNNXBMFYSA-N 0 1 274.364 3.788 20 0 CHADMN Cc1nc2c(s1)[C@@H](NCc1ccc3c(n1)CCC3)CCC2 ZINC000839005891 1132165367 /nfs/dbraw/zinc/16/53/67/1132165367.db2.gz QMYWXCHTOBEAGM-HNNXBMFYSA-N 0 1 299.443 3.502 20 0 CHADMN C[C@@H]1CC[C@@H](N(C)CC(=O)c2ccccc2)C[C@H]1C ZINC001172380559 1132170786 /nfs/dbraw/zinc/17/07/86/1132170786.db2.gz VBOHOCVWGDVHTK-IIAWOOMASA-N 0 1 259.393 3.626 20 0 CHADMN C[C@@H]1CC[C@H](N2CC[C@H]2N(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001172379881 1132171476 /nfs/dbraw/zinc/17/14/76/1132171476.db2.gz PVXGMEUPBYWWHO-QPSCCSFWSA-N 0 1 296.455 3.710 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)N1CCCC(F)(F)[C@H](F)C1 ZINC001172334034 1132173912 /nfs/dbraw/zinc/17/39/12/1132173912.db2.gz BGPVHWVNOKDJAF-FRRDWIJNSA-N 0 1 281.362 3.649 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)N1Cc2ccc(OC)cc2C1 ZINC001172344185 1132179412 /nfs/dbraw/zinc/17/94/12/1132179412.db2.gz XLPXXLABPHXYIN-KGLIPLIRSA-N 0 1 277.408 3.605 20 0 CHADMN COc1cc(C(F)(F)F)ccc1CN1CC(C)(C)C1 ZINC001141602632 1132201865 /nfs/dbraw/zinc/20/18/65/1132201865.db2.gz IFJCEELCDZKLFT-UHFFFAOYSA-N 0 1 273.298 3.556 20 0 CHADMN FC(F)(F)[C@@H]1CCN(CCOc2cccc(Cl)c2)C1 ZINC000839533888 1132221201 /nfs/dbraw/zinc/22/12/01/1132221201.db2.gz OMHZRHUBSHICNN-SNVBAGLBSA-N 0 1 293.716 3.603 20 0 CHADMN Cc1ccc2c(c1)nc(=O)[nH]c2O[C@@H](C)c1cccs1 ZINC001230886796 1132223592 /nfs/dbraw/zinc/22/35/92/1132223592.db2.gz SPFBQCYFNOQLLP-JTQLQIEISA-N 0 1 286.356 3.845 20 0 CHADMN CC(C)COCC[C@H](C)N1CCOC[C@@H]1c1ccccc1 ZINC001172475049 1132225718 /nfs/dbraw/zinc/22/57/18/1132225718.db2.gz ZUXZYUVVQRNSHA-FUHWJXTLSA-N 0 1 291.435 3.511 20 0 CHADMN FC(F)(F)c1cncc(CN2CC[C@@H](C3CCC3)C2)c1 ZINC000839679479 1132230209 /nfs/dbraw/zinc/23/02/09/1132230209.db2.gz HFIJNIDOOIPSHG-CYBMUJFWSA-N 0 1 284.325 3.722 20 0 CHADMN C[C@@H](Oc1cc2[nH]ncc2c(F)c1)c1ccccc1F ZINC001230931572 1132230354 /nfs/dbraw/zinc/23/03/54/1132230354.db2.gz PBPPJXRPAKCVAE-SECBINFHSA-N 0 1 274.270 3.981 20 0 CHADMN CN(C)Cc1c(Br)ccc2ccccc21 ZINC001141711604 1132237439 /nfs/dbraw/zinc/23/74/39/1132237439.db2.gz NTKGHTPRWRMMKN-UHFFFAOYSA-N 0 1 264.166 3.664 20 0 CHADMN C[C@H]1CN(Cc2ccc3c(c2)Cc2ccccc2-3)C[C@H](C)O1 ZINC001141735172 1132244181 /nfs/dbraw/zinc/24/41/81/1132244181.db2.gz XUVLIXAYIGCHMN-GJZGRUSLSA-N 0 1 293.410 3.867 20 0 CHADMN CCN(CN1C(=O)C2(CCC2)[C@H]1c1ccccc1)C1CCC1 ZINC000840001425 1132244236 /nfs/dbraw/zinc/24/42/36/1132244236.db2.gz YPYZMBUYAPIMES-QGZVFWFLSA-N 0 1 298.430 3.572 20 0 CHADMN CC(C)COCC[C@@H](C)N1CCO[C@@H](c2ccccc2)C1 ZINC001172467355 1132244333 /nfs/dbraw/zinc/24/43/33/1132244333.db2.gz FDOJKWQLPFNDPZ-SJLPKXTDSA-N 0 1 291.435 3.511 20 0 CHADMN Brc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000401818406 1132247360 /nfs/dbraw/zinc/24/73/60/1132247360.db2.gz YAIPQFWJNHNJIX-GFCCVEGCSA-N 0 1 292.180 3.662 20 0 CHADMN CC[C@@H](C)CC[C@H](C)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047350 1132247633 /nfs/dbraw/zinc/24/76/33/1132247633.db2.gz QDHOOZWEWQWSSB-BDAKNGLRSA-N 0 1 282.775 3.600 20 0 CHADMN Clc1cc2nc(OC(C3CC3)C3CC3)[nH]c2c(Cl)n1 ZINC001231050313 1132248282 /nfs/dbraw/zinc/24/82/82/1132248282.db2.gz RTJASPQXDRIXNW-UHFFFAOYSA-N 0 1 298.173 3.832 20 0 CHADMN CN(Cc1cc(Br)cc(F)c1F)C(C)(C)C ZINC001141802220 1132249030 /nfs/dbraw/zinc/24/90/30/1132249030.db2.gz WDHLRNJEQRESLS-UHFFFAOYSA-N 0 1 292.167 3.958 20 0 CHADMN O=C(Nc1ccc(F)c(F)c1O)c1cc(Cl)cs1 ZINC001141879963 1132260280 /nfs/dbraw/zinc/26/02/80/1132260280.db2.gz LJZVKRFXLXEGAP-UHFFFAOYSA-N 0 1 289.690 3.638 20 0 CHADMN Cc1nc[nH]c1-c1nc(-c2ccc(OC(C)(C)C)cc2)no1 ZINC001212668736 1132264929 /nfs/dbraw/zinc/26/49/29/1132264929.db2.gz NOQBVNSXTSMGNP-UHFFFAOYSA-N 0 1 298.346 3.612 20 0 CHADMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc2c1OCO2 ZINC001141948032 1132270474 /nfs/dbraw/zinc/27/04/74/1132270474.db2.gz KGUFRLPEJWFZEC-CYBMUJFWSA-N 0 1 281.355 3.535 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1cccc2c1OCO2 ZINC001141948032 1132270480 /nfs/dbraw/zinc/27/04/80/1132270480.db2.gz KGUFRLPEJWFZEC-CYBMUJFWSA-N 0 1 281.355 3.535 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1cccc2c1OCO2 ZINC001141960450 1132274401 /nfs/dbraw/zinc/27/44/01/1132274401.db2.gz PEGKPIQSZQHOQH-UHFFFAOYSA-N 0 1 283.371 3.746 20 0 CHADMN Cc1onc(-c2ccccc2)c1CN1C[C@@H](F)C[C@H]1C ZINC001141979113 1132283300 /nfs/dbraw/zinc/28/33/00/1132283300.db2.gz OMKDFGZFNGVBFS-RISCZKNCSA-N 0 1 274.339 3.582 20 0 CHADMN CN(CC(=O)c1ccccc1)C1CC(C)(C)OC(C)(C)C1 ZINC001172659789 1132291288 /nfs/dbraw/zinc/29/12/88/1132291288.db2.gz JMVKQDZNTVCJEQ-UHFFFAOYSA-N 0 1 289.419 3.537 20 0 CHADMN FC1(F)CCN([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172719876 1132295216 /nfs/dbraw/zinc/29/52/16/1132295216.db2.gz UEPNTENPARZCIB-ZDUSSCGKSA-N 0 1 271.738 3.538 20 0 CHADMN C[C@@H]1CN(Cc2ccc3cc(N(C)C)ccc3c2)[C@@H](C)CO1 ZINC001231443261 1132295749 /nfs/dbraw/zinc/29/57/49/1132295749.db2.gz HCIVHCLTGYQMFH-LSDHHAIUSA-N 0 1 298.430 3.515 20 0 CHADMN Clc1ccc2c(c1)C[C@H](N1CCOc3ccccc3C1)C2 ZINC001172720824 1132296730 /nfs/dbraw/zinc/29/67/30/1132296730.db2.gz YBBVMKOMXQYFCG-QGZVFWFLSA-N 0 1 299.801 3.702 20 0 CHADMN Cc1c(F)ccc(CN2CC[C@H](COCC3CC3)C2)c1F ZINC001231478288 1132299087 /nfs/dbraw/zinc/29/90/87/1132299087.db2.gz BPTXJEYCXAVSPR-AWEZNQCLSA-N 0 1 295.373 3.522 20 0 CHADMN Cc1ccc(CNc2nccn2C2CC2)cc1Cl ZINC000840886560 1132302552 /nfs/dbraw/zinc/30/25/52/1132302552.db2.gz GXLIWYOIUATYAT-UHFFFAOYSA-N 0 1 261.756 3.792 20 0 CHADMN Cc1cc(C)c(CNc2nccn2C2CC2)cc1C ZINC000840886294 1132303139 /nfs/dbraw/zinc/30/31/39/1132303139.db2.gz ARMGRNXDPJYUSY-UHFFFAOYSA-N 0 1 255.365 3.755 20 0 CHADMN Cc1c(C)c(C)c(CN2CCC(=O)C[C@H]2C)c(C)c1C ZINC001231491870 1132303628 /nfs/dbraw/zinc/30/36/28/1132303628.db2.gz APRCUWBSYARGGT-LLVKDONJSA-N 0 1 273.420 3.782 20 0 CHADMN CCc1ccc(CN2CCc3cccc(OC)c3C2)s1 ZINC001231499146 1132304835 /nfs/dbraw/zinc/30/48/35/1132304835.db2.gz HMGDZZQUZALWTJ-UHFFFAOYSA-N 0 1 287.428 3.877 20 0 CHADMN F[C@@H]1CCN(Cc2cccc(-c3ccccc3)c2)C1 ZINC001231507553 1132307986 /nfs/dbraw/zinc/30/79/86/1132307986.db2.gz DXOZPGSJYJUPDE-QGZVFWFLSA-N 0 1 255.336 3.897 20 0 CHADMN Clc1ccc2c(c1)C[C@@H](NCc1ncccc1Cl)C2 ZINC001172708923 1132308777 /nfs/dbraw/zinc/30/87/77/1132308777.db2.gz GXERSQMWHZAORD-ZDUSSCGKSA-N 0 1 293.197 3.645 20 0 CHADMN C[C@H]1CN(Cc2cc(Br)c[nH]2)CCC[C@@H]1C ZINC001231571682 1132315177 /nfs/dbraw/zinc/31/51/77/1132315177.db2.gz JNDCNJKIPWIRKB-QWRGUYRKSA-N 0 1 285.229 3.645 20 0 CHADMN Cc1ccc(-c2ccc(CN3CCOC[C@H]3C3CC3)cc2)o1 ZINC001231599638 1132322844 /nfs/dbraw/zinc/32/28/44/1132322844.db2.gz KVPURSNAMHDENV-SFHVURJKSA-N 0 1 297.398 3.866 20 0 CHADMN CCc1ccc(CN2CCc3ccc(C)cc3C2)nc1 ZINC001231637507 1132330339 /nfs/dbraw/zinc/33/03/39/1132330339.db2.gz HVYKEZRAFQCRPZ-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN CC1CC([N@@H+](C)Cc2coc(-c3ccccc3)n2)C1 ZINC001231630580 1132331768 /nfs/dbraw/zinc/33/17/68/1132331768.db2.gz QPQYRKQOEZCFEX-UHFFFAOYSA-N 0 1 256.349 3.572 20 0 CHADMN CC1CC(N(C)Cc2coc(-c3ccccc3)n2)C1 ZINC001231630580 1132331774 /nfs/dbraw/zinc/33/17/74/1132331774.db2.gz QPQYRKQOEZCFEX-UHFFFAOYSA-N 0 1 256.349 3.572 20 0 CHADMN CCc1ccc(CN(CC)Cc2cccc(OC)c2)nc1 ZINC001231642511 1132332086 /nfs/dbraw/zinc/33/20/86/1132332086.db2.gz ZUUWOADTVWDYNL-UHFFFAOYSA-N 0 1 284.403 3.675 20 0 CHADMN Cc1ccc2c(c1)C[C@@H](N1CCc3ncc(C)cc3C1)CC2 ZINC001172839834 1132333034 /nfs/dbraw/zinc/33/30/34/1132333034.db2.gz VMGVPDIDOHMKJE-IBGZPJMESA-N 0 1 292.426 3.614 20 0 CHADMN Cc1ccc(CN2[C@@H](C)CC[C@H]2CO)c(Cl)c1Cl ZINC001231661232 1132340148 /nfs/dbraw/zinc/34/01/48/1132340148.db2.gz PDOHHAXFBUUVAL-JQWIXIFHSA-N 0 1 288.218 3.647 20 0 CHADMN COc1cc(Cl)c(CN2C[C@@H](C)C[C@H](C)C2)c(OC)c1 ZINC001231699586 1132348119 /nfs/dbraw/zinc/34/81/19/1132348119.db2.gz PFMXHCRTALRCMZ-RYUDHWBXSA-N 0 1 297.826 3.835 20 0 CHADMN [O-]c1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)ccc1Cl ZINC001231732696 1132349201 /nfs/dbraw/zinc/34/92/01/1132349201.db2.gz CYWJGNSWFFRZLU-BETUJISGSA-N 0 1 265.784 3.668 20 0 CHADMN CC(C)(C)c1nc[nH]c1CN1CCC[C@@H]2CCCC[C@H]21 ZINC001142230079 1132349450 /nfs/dbraw/zinc/34/94/50/1132349450.db2.gz DLOMSHRBXXUOMV-DZGCQCFKSA-N 0 1 275.440 3.862 20 0 CHADMN C[C@@H](CSc1ccc(Cl)cc1)NCc1ccno1 ZINC001172870106 1132349873 /nfs/dbraw/zinc/34/98/73/1132349873.db2.gz IIFIPWBSBVRQQV-JTQLQIEISA-N 0 1 282.796 3.598 20 0 CHADMN Oc1cc(C[N@@H+](C2CCC2)C2CCOCC2)ccc1Cl ZINC001231735419 1132351001 /nfs/dbraw/zinc/35/10/01/1132351001.db2.gz OUJATRLDMPZTRJ-UHFFFAOYSA-N 0 1 295.810 3.579 20 0 CHADMN [O-]c1cc(C[N@H+](C2CCC2)C2CCOCC2)ccc1Cl ZINC001231735419 1132351010 /nfs/dbraw/zinc/35/10/10/1132351010.db2.gz OUJATRLDMPZTRJ-UHFFFAOYSA-N 0 1 295.810 3.579 20 0 CHADMN [O-]c1cc(C[N@@H+](C2CCC2)C2CCOCC2)ccc1Cl ZINC001231735419 1132351018 /nfs/dbraw/zinc/35/10/18/1132351018.db2.gz OUJATRLDMPZTRJ-UHFFFAOYSA-N 0 1 295.810 3.579 20 0 CHADMN C[C@H](CSc1ccc(Cl)cc1)N(C)Cc1ccno1 ZINC001172881384 1132357658 /nfs/dbraw/zinc/35/76/58/1132357658.db2.gz GDTSBOIRKNGVSH-LLVKDONJSA-N 0 1 296.823 3.941 20 0 CHADMN CC(C)Cc1ccc(CN2CCCCC23COC3)cc1 ZINC001231787470 1132362125 /nfs/dbraw/zinc/36/21/25/1132362125.db2.gz BIWPAOQSZWTWRP-UHFFFAOYSA-N 0 1 273.420 3.640 20 0 CHADMN Cc1ccc(-c2ccc(CN3CCOC[C@@H]3C)cc2)cc1 ZINC001142300231 1132362274 /nfs/dbraw/zinc/36/22/74/1132362274.db2.gz GYLNQWOSHUEGSW-INIZCTEOSA-N 0 1 281.399 3.883 20 0 CHADMN Cc1ccc(-c2ccc(CN3CCOC[C@H]3C)cc2)cc1 ZINC001142300232 1132362985 /nfs/dbraw/zinc/36/29/85/1132362985.db2.gz GYLNQWOSHUEGSW-MRXNPFEDSA-N 0 1 281.399 3.883 20 0 CHADMN CO[C@H]1CCC[C@@H](N(C)Cc2csc(C(C)C)n2)C1 ZINC001172941082 1132367087 /nfs/dbraw/zinc/36/70/87/1132367087.db2.gz DARQYWSQDIVEOP-KGLIPLIRSA-N 0 1 282.453 3.656 20 0 CHADMN O=C1CCCN(Cc2ccccc2-c2ccccc2)CC1 ZINC001142335114 1132371315 /nfs/dbraw/zinc/37/13/15/1132371315.db2.gz UJLRHGMNJVIMTC-UHFFFAOYSA-N 0 1 279.383 3.909 20 0 CHADMN c1cc(-c2ccccc2)oc1CN1CC(c2cccnc2)C1 ZINC001231812860 1132372020 /nfs/dbraw/zinc/37/20/20/1132372020.db2.gz KYXNYEZRGLCWBC-UHFFFAOYSA-N 0 1 290.366 3.941 20 0 CHADMN CCCc1ccc(CN(C)Cc2cnc3ccccn23)cc1 ZINC001142354196 1132372882 /nfs/dbraw/zinc/37/28/82/1132372882.db2.gz LACDKYOGKCHRGR-UHFFFAOYSA-N 0 1 293.414 3.919 20 0 CHADMN Fc1ccc(-c2ccccc2CN2C[C@H]3CC[C@@H]2CO3)cc1 ZINC001231826834 1132372839 /nfs/dbraw/zinc/37/28/39/1132372839.db2.gz KNKDEEQPQVDUGE-QZTJIDSGSA-N 0 1 297.373 3.856 20 0 CHADMN CCCc1ccc(CN(C)Cc2ccc(C)nc2)cc1 ZINC001142367244 1132374466 /nfs/dbraw/zinc/37/44/66/1132374466.db2.gz KFDDRMPZTPWQHD-UHFFFAOYSA-N 0 1 268.404 3.975 20 0 CHADMN CCCc1ccc(CN2CCc3ncc(C)cc3C2)cc1 ZINC001142366982 1132374565 /nfs/dbraw/zinc/37/45/65/1132374565.db2.gz AJVUMEKUJXWIHF-UHFFFAOYSA-N 0 1 280.415 3.901 20 0 CHADMN CC(C)c1cccc(C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC001142428411 1132386333 /nfs/dbraw/zinc/38/63/33/1132386333.db2.gz NTBKHTMWLUJLPH-UHFFFAOYSA-N 0 1 279.343 3.939 20 0 CHADMN CC(C)c1ccccc1CN1CCc2cnccc2C1 ZINC001231875112 1132388713 /nfs/dbraw/zinc/38/87/13/1132388713.db2.gz NTRBESZFJDWVHA-UHFFFAOYSA-N 0 1 266.388 3.763 20 0 CHADMN COc1cc2c(cn1)CCN(Cc1ccccc1C(C)C)C2 ZINC001231878809 1132392441 /nfs/dbraw/zinc/39/24/41/1132392441.db2.gz VBUOMYDYMUZVET-UHFFFAOYSA-N 0 1 296.414 3.772 20 0 CHADMN FC(F)c1cc(CN2CCCc3ccccc3C2)ccn1 ZINC001231889941 1132394629 /nfs/dbraw/zinc/39/46/29/1132394629.db2.gz PSDFEPRPAKMAQX-UHFFFAOYSA-N 0 1 288.341 3.968 20 0 CHADMN CC[N@@H+](Cc1c[nH]c2c1cccc2OC)Cc1cccnc1 ZINC001231900003 1132395844 /nfs/dbraw/zinc/39/58/44/1132395844.db2.gz BFCHTTCXVVTLHK-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN CN(Cc1cccc2nn(C)cc21)Cc1ccccc1Cl ZINC001142457031 1132398596 /nfs/dbraw/zinc/39/85/96/1132398596.db2.gz XVSLRHDNSGKNIS-UHFFFAOYSA-N 0 1 299.805 3.859 20 0 CHADMN CCN(c1ccc(NCc2cncn2CC)cc1)C(C)C ZINC000841848905 1132399109 /nfs/dbraw/zinc/39/91/09/1132399109.db2.gz JEEXRXIQOHLTON-UHFFFAOYSA-N 0 1 286.423 3.750 20 0 CHADMN CCN(Cc1cc(Cl)ncc1C(F)(F)F)C1CC1 ZINC001231928134 1132400999 /nfs/dbraw/zinc/40/09/99/1132400999.db2.gz GFUJPLLDZCIUCH-UHFFFAOYSA-N 0 1 278.705 3.738 20 0 CHADMN CC(C)N(Cc1nc(Br)ccc1F)C(C)C ZINC001231946083 1132401508 /nfs/dbraw/zinc/40/15/08/1132401508.db2.gz QHNJVUUONYZMCV-UHFFFAOYSA-N 0 1 289.192 3.602 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccccc2)cnc1F ZINC001231927049 1132401558 /nfs/dbraw/zinc/40/15/58/1132401558.db2.gz MARBVRFZJBPMSU-INIZCTEOSA-N 0 1 270.351 3.866 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cnc(F)cc1C ZINC001231984317 1132405293 /nfs/dbraw/zinc/40/52/93/1132405293.db2.gz VRDCADUWMVSZLH-UHFFFAOYSA-N 0 1 276.330 3.690 20 0 CHADMN COc1cccc2[nH]cc(CN(C)Cc3cccnc3C)c21 ZINC001232038972 1132415206 /nfs/dbraw/zinc/41/52/06/1132415206.db2.gz SSGNBOPRMYBJGO-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN c1c(CN2CCC[C@@H]3CCCC[C@@H]32)[nH]c2cccnc12 ZINC001232065193 1132416337 /nfs/dbraw/zinc/41/63/37/1132416337.db2.gz MZLZTFVCJGFGFF-GUYCJALGSA-N 0 1 269.392 3.718 20 0 CHADMN C[C@H]1CCCC[N@@H+](Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142646738 1132416660 /nfs/dbraw/zinc/41/66/60/1132416660.db2.gz BKUSRCQZKUNAQX-NSHDSACASA-N 0 1 281.783 3.660 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1cccc(C(F)(F)F)n1 ZINC001232072325 1132418328 /nfs/dbraw/zinc/41/83/28/1132418328.db2.gz LFZACUBETILJEU-WDEREUQCSA-N 0 1 272.314 3.721 20 0 CHADMN CC(C)/C=C/C(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001142660634 1132419041 /nfs/dbraw/zinc/41/90/41/1132419041.db2.gz ARZPHCSONLQAEQ-ZZXKWVIFSA-N 0 1 274.147 3.850 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1ccc(C)nc1C ZINC001232085441 1132421040 /nfs/dbraw/zinc/42/10/40/1132421040.db2.gz YYNJNWDLBSOAHK-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN CCc1ccc(C[C@H](C)N2CC[C@@](C)(F)[C@H](F)C2)cc1 ZINC001173251461 1132421741 /nfs/dbraw/zinc/42/17/41/1132421741.db2.gz BGGNBDNVDDPBNR-IAOVAPTHSA-N 0 1 281.390 3.952 20 0 CHADMN CCCC[C@H](CC(C)C)[NH2+]CC(=O)c1ccc([O-])cc1 ZINC001173257270 1132424746 /nfs/dbraw/zinc/42/47/46/1132424746.db2.gz RUJWHLWHPUYTRU-OAHLLOKOSA-N 0 1 277.408 3.769 20 0 CHADMN c1nc(-c2cccnc2)oc1CN1CC[C@H]1c1ccccc1 ZINC001232134181 1132426020 /nfs/dbraw/zinc/42/60/20/1132426020.db2.gz XGDQPTHTGJTOBV-KRWDZBQOSA-N 0 1 291.354 3.684 20 0 CHADMN Cc1sc(CN2CCCC23CC3)cc1Br ZINC001232290297 1132450082 /nfs/dbraw/zinc/45/00/82/1132450082.db2.gz SSZCAYCAGSHWDZ-UHFFFAOYSA-N 0 1 286.238 3.947 20 0 CHADMN Cc1cnc(CN(CC2CC2)C(C)C)c(Br)c1 ZINC001232176256 1132432429 /nfs/dbraw/zinc/43/24/29/1132432429.db2.gz OWOYDNUIBNMFAV-UHFFFAOYSA-N 0 1 297.240 3.773 20 0 CHADMN CC[N@@H+](Cc1ccns1)[C@H](C)Cc1ccc(OC)cc1 ZINC001232189835 1132433236 /nfs/dbraw/zinc/43/32/36/1132433236.db2.gz NRZIWXUVLHJNGT-CYBMUJFWSA-N 0 1 290.432 3.605 20 0 CHADMN CC(C)(C)c1cc(CN2CCCCC23CC3)ccn1 ZINC001232217446 1132438844 /nfs/dbraw/zinc/43/88/44/1132438844.db2.gz KAMFSYQMMKKVJC-UHFFFAOYSA-N 0 1 258.409 3.898 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2cnsc2)c1 ZINC001232225017 1132439138 /nfs/dbraw/zinc/43/91/38/1132439138.db2.gz UVWGXQZEXUEUOH-HNNXBMFYSA-N 0 1 258.390 3.789 20 0 CHADMN Fc1ccccc1CC1CCN(Cc2cnsc2)CC1 ZINC001232230291 1132440832 /nfs/dbraw/zinc/44/08/32/1132440832.db2.gz HIQRVCPZZSUNOZ-UHFFFAOYSA-N 0 1 290.407 3.737 20 0 CHADMN O=C(NCc1cccc(-c2ccc(F)cc2)c1)C(F)(F)F ZINC001142770882 1132444740 /nfs/dbraw/zinc/44/47/40/1132444740.db2.gz NEVHFDSWTPYEMY-UHFFFAOYSA-N 0 1 297.251 3.671 20 0 CHADMN c1ccc([C@@H]2CCC[C@H]2c2nc([C@H]3CCCN3)no2)cc1 ZINC000842636922 1132445384 /nfs/dbraw/zinc/44/53/84/1132445384.db2.gz OESNDPCQFRXTPE-RRFJBIMHSA-N 0 1 283.375 3.545 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H]2c2ccccn2)c(C)n1 ZINC001232309865 1132451793 /nfs/dbraw/zinc/45/17/93/1132451793.db2.gz HAAONGFUHRLHER-QGZVFWFLSA-N 0 1 297.402 3.521 20 0 CHADMN CCSC[C@@H](C)N1CCc2cccc(Cl)c2C1 ZINC001173313404 1132452468 /nfs/dbraw/zinc/45/24/68/1132452468.db2.gz BTVZYYBFFAJNDM-LLVKDONJSA-N 0 1 269.841 3.840 20 0 CHADMN CCOc1ccc(CN(C)Cc2cccc(C)c2)c(C)n1 ZINC001232308680 1132453085 /nfs/dbraw/zinc/45/30/85/1132453085.db2.gz UEGAXXWUDHDBDE-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN CCOc1ccc(CN(C)Cc2cccc(F)c2)c(C)n1 ZINC001232308710 1132453315 /nfs/dbraw/zinc/45/33/15/1132453315.db2.gz VHRAJGLCFKSMDF-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN Cc1nc(Br)ccc1CN1CCC[C@H]1C(C)C ZINC001232325530 1132453812 /nfs/dbraw/zinc/45/38/12/1132453812.db2.gz UDAWXOBTTCWKJI-ZDUSSCGKSA-N 0 1 297.240 3.773 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(-c3ccccn3)c2)CCC1=O ZINC001142828929 1132454527 /nfs/dbraw/zinc/45/45/27/1132454527.db2.gz OGNKOIBJHYROSG-OAHLLOKOSA-N 0 1 294.398 3.550 20 0 CHADMN CCN(Cc1ccc(SC)nc1)Cc1cccc(F)c1 ZINC001232333552 1132456631 /nfs/dbraw/zinc/45/66/31/1132456631.db2.gz UEEHDWQVFGWHPH-UHFFFAOYSA-N 0 1 290.407 3.965 20 0 CHADMN CCSC[C@@H](C)NCc1c(F)ccc(Cl)c1F ZINC001173288676 1132457411 /nfs/dbraw/zinc/45/74/11/1132457411.db2.gz YDBKWKDCAGTPDB-MRVPVSSYSA-N 0 1 279.783 3.849 20 0 CHADMN CC(C)=CCC[C@@H](C)CC(=O)OCc1nc(C(C)C)n[nH]1 ZINC000842802805 1132463892 /nfs/dbraw/zinc/46/38/92/1132463892.db2.gz IWZILEHXLHQGSJ-CYBMUJFWSA-N 0 1 293.411 3.744 20 0 CHADMN CC(C)=CCC[C@@H](C)CC(=O)OCc1n[nH]c(C(C)C)n1 ZINC000842802805 1132463897 /nfs/dbraw/zinc/46/38/97/1132463897.db2.gz IWZILEHXLHQGSJ-CYBMUJFWSA-N 0 1 293.411 3.744 20 0 CHADMN Fc1cnc(CN[C@H]2CCCC3(CCCCC3)C2)nc1 ZINC001173338458 1132465765 /nfs/dbraw/zinc/46/57/65/1132465765.db2.gz IFCMUNKXOUOFPK-AWEZNQCLSA-N 0 1 277.387 3.598 20 0 CHADMN CCCCC1CCN(Cc2cn3cc(F)ccc3n2)CC1 ZINC001232412122 1132467182 /nfs/dbraw/zinc/46/71/82/1132467182.db2.gz YBBCJBTUODOSFW-UHFFFAOYSA-N 0 1 289.398 3.876 20 0 CHADMN NCc1ncccc1N[C@H]1CCCC2(CCCCC2)C1 ZINC001173342138 1132468766 /nfs/dbraw/zinc/46/87/66/1132468766.db2.gz VLJYWTXKEZBQPW-AWEZNQCLSA-N 0 1 273.424 3.845 20 0 CHADMN Cc1c(F)cc(CN2CCC3(CCOCC3)CC2)cc1F ZINC001232422717 1132470038 /nfs/dbraw/zinc/47/00/38/1132470038.db2.gz FJDWZCBUYJSPGY-UHFFFAOYSA-N 0 1 295.373 3.666 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2ccc(C(F)(F)F)o2)C1 ZINC001232445609 1132471040 /nfs/dbraw/zinc/47/10/40/1132471040.db2.gz SLCDPHMHCXPYGL-UWVGGRQHSA-N 0 1 261.287 3.776 20 0 CHADMN CCCC[N@H+](Cc1c[nH]c(C)n1)Cc1ccccc1 ZINC001232462049 1132474433 /nfs/dbraw/zinc/47/44/33/1132474433.db2.gz IHRUAQHRTWGGFE-UHFFFAOYSA-N 0 1 257.381 3.520 20 0 CHADMN CCCCN(Cc1c[nH]c(C)n1)Cc1ccccc1 ZINC001232462049 1132474443 /nfs/dbraw/zinc/47/44/43/1132474443.db2.gz IHRUAQHRTWGGFE-UHFFFAOYSA-N 0 1 257.381 3.520 20 0 CHADMN CCc1csc(CN2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC001232475273 1132474860 /nfs/dbraw/zinc/47/48/60/1132474860.db2.gz LNMPYFQFJNYPPI-CYBMUJFWSA-N 0 1 290.407 3.834 20 0 CHADMN CCc1csc(CN(C)[C@H]2CC[C@H](C)CC2)n1 ZINC001232477788 1132475012 /nfs/dbraw/zinc/47/50/12/1132475012.db2.gz PVDXFKZRIMFURQ-AULYBMBSSA-N 0 1 252.427 3.716 20 0 CHADMN Cc1cc(Br)c(CN2CCC[C@@H]2C)cc1F ZINC001232468073 1132475276 /nfs/dbraw/zinc/47/52/76/1132475276.db2.gz KNXGCKDPJWFPJI-JTQLQIEISA-N 0 1 286.188 3.881 20 0 CHADMN Cc1cccc(F)c1CN1CC[C@H]1COCc1ccccc1 ZINC001232485050 1132477003 /nfs/dbraw/zinc/47/70/03/1132477003.db2.gz POEYQKVNJWBJTL-KRWDZBQOSA-N 0 1 299.389 3.925 20 0 CHADMN Fc1ccnc(CN2CCC[C@@H]2c2ccccc2)c1 ZINC001232493902 1132479949 /nfs/dbraw/zinc/47/99/49/1132479949.db2.gz HBZDUZDZEMWFIQ-MRXNPFEDSA-N 0 1 256.324 3.558 20 0 CHADMN Nc1ccc(F)cc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC001232511154 1132482026 /nfs/dbraw/zinc/48/20/26/1132482026.db2.gz VVHVLYFIQFFGAW-QGZVFWFLSA-N 0 1 288.341 3.884 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1cccc(CF)n1 ZINC001232532866 1132483744 /nfs/dbraw/zinc/48/37/44/1132483744.db2.gz BAMPMUXJRBOWQE-ZDUSSCGKSA-N 0 1 270.351 3.670 20 0 CHADMN C[C@@H]1CCN(Cc2cc3ccoc3cn2)CCC1(F)F ZINC001232549343 1132485592 /nfs/dbraw/zinc/48/55/92/1132485592.db2.gz GDVYBECNHAXVRY-LLVKDONJSA-N 0 1 280.318 3.695 20 0 CHADMN FC1(F)CC2(C1)CCN(Cc1cc3ccoc3cn1)CC2 ZINC001232552900 1132486117 /nfs/dbraw/zinc/48/61/17/1132486117.db2.gz TVOLXNGDCPVXDL-UHFFFAOYSA-N 0 1 292.329 3.839 20 0 CHADMN Cc1cccc2c1C[N@H+](C1Cc3cc(F)c(F)cc3C1)C2 ZINC001173481792 1132486571 /nfs/dbraw/zinc/48/65/71/1132486571.db2.gz XCDROMOKXCLJOX-UHFFFAOYSA-N 0 1 285.337 3.756 20 0 CHADMN c1csc([C@@H]2CCC[N@@H+]2Cc2cccn3ccnc23)c1 ZINC001142956576 1132488212 /nfs/dbraw/zinc/48/82/12/1132488212.db2.gz XCOPRQDCVZGKMN-AWEZNQCLSA-N 0 1 283.400 3.733 20 0 CHADMN c1ccc(COc2ccnc(CN3CCC4(CC4)C3)c2)cc1 ZINC001232587417 1132488666 /nfs/dbraw/zinc/48/86/66/1132488666.db2.gz OVAJYARMXOSBBC-UHFFFAOYSA-N 0 1 294.398 3.647 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1cnc2ccc(Cl)nn12 ZINC001142995453 1132491707 /nfs/dbraw/zinc/49/17/07/1132491707.db2.gz MJLOGUBLOJBXMN-GFCCVEGCSA-N 0 1 292.814 3.537 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Br)co2)C[C@H]1C ZINC001232851174 1132530069 /nfs/dbraw/zinc/53/00/69/1132530069.db2.gz ABWPIYYOQAMYAR-GHMZBOCLSA-N 0 1 286.213 3.910 20 0 CHADMN CN(Cc1cccc(Cl)c1)Cc1ccc2nccn2c1 ZINC001143028687 1132495051 /nfs/dbraw/zinc/49/50/51/1132495051.db2.gz GVHAMZUKDNZDNL-UHFFFAOYSA-N 0 1 285.778 3.620 20 0 CHADMN Fc1nccc(Cl)c1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001232616951 1132495305 /nfs/dbraw/zinc/49/53/05/1132495305.db2.gz AHGZWHAZWCVIOA-GWCFXTLKSA-N 0 1 268.763 3.639 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cc(Br)co1 ZINC001232855057 1132530726 /nfs/dbraw/zinc/53/07/26/1132530726.db2.gz VEKBYOCRWJPAHA-SNVBAGLBSA-N 0 1 272.186 3.807 20 0 CHADMN COc1cccc(C)c1CN(C)Cc1cccc(C)c1 ZINC001232622150 1132496794 /nfs/dbraw/zinc/49/67/94/1132496794.db2.gz PKEMCXYHVCTUSI-UHFFFAOYSA-N 0 1 269.388 3.944 20 0 CHADMN Cc1cc2occ(-c3nc([C@@H](N)C(C)C)no3)c2cc1C ZINC000843150604 1132497701 /nfs/dbraw/zinc/49/77/01/1132497701.db2.gz BGBYCFOEZUZXEU-AWEZNQCLSA-N 0 1 285.347 3.755 20 0 CHADMN Cc1cc2cc(-c3nc([C@@H](N)C(C)C)no3)oc2cc1C ZINC000843148879 1132497841 /nfs/dbraw/zinc/49/78/41/1132497841.db2.gz FJIWLPLHXLYLFM-AWEZNQCLSA-N 0 1 285.347 3.755 20 0 CHADMN CC1(C)CC[N@H+](Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232631685 1132497834 /nfs/dbraw/zinc/49/78/34/1132497834.db2.gz POYPWCYUSDZIJL-UHFFFAOYSA-N 0 1 274.191 3.931 20 0 CHADMN CC1(C)CC[N@@H+](Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232631685 1132497835 /nfs/dbraw/zinc/49/78/35/1132497835.db2.gz POYPWCYUSDZIJL-UHFFFAOYSA-N 0 1 274.191 3.931 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H](Cc2ccccc2)C(C)C)n1 ZINC000843150045 1132498113 /nfs/dbraw/zinc/49/81/13/1132498113.db2.gz RRUBIDXYINEXLD-GJZGRUSLSA-N 0 1 287.407 3.708 20 0 CHADMN Cc1cc2occ(Cc3nc([C@H](N)C(C)C)no3)c2cc1C ZINC000843150128 1132498220 /nfs/dbraw/zinc/49/82/20/1132498220.db2.gz GPXCLVXGHLVJME-MRXNPFEDSA-N 0 1 299.374 3.679 20 0 CHADMN C/C(=C\c1ccccc1Cl)c1nc([C@H](N)C(C)C)no1 ZINC000843150457 1132498353 /nfs/dbraw/zinc/49/83/53/1132498353.db2.gz UDHQAEMPXMPUDE-AORWBKJGSA-N 0 1 291.782 3.939 20 0 CHADMN CC[C@@H](Oc1cccc(C)c1)c1nc([C@@H](N)C(C)C)no1 ZINC000843154769 1132498731 /nfs/dbraw/zinc/49/87/31/1132498731.db2.gz ZVSCQLULBUKLOU-KGLIPLIRSA-N 0 1 289.379 3.564 20 0 CHADMN O=C1CCN(Cc2cccc3c2CCCC3)[C@@H]2CCCC[C@@H]12 ZINC001232633513 1132498827 /nfs/dbraw/zinc/49/88/27/1132498827.db2.gz AVTMFVITNKSRSG-RTBURBONSA-N 0 1 297.442 3.899 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2ccc(C(C)(C)C)s2)n1 ZINC000843150347 1132498954 /nfs/dbraw/zinc/49/89/54/1132498954.db2.gz STPKNDMVNIRFHY-LLVKDONJSA-N 0 1 279.409 3.751 20 0 CHADMN Clc1cccc2c1CCN(Cc1cccc3n[nH]cc31)C2 ZINC001143096905 1132500498 /nfs/dbraw/zinc/50/04/98/1132500498.db2.gz KJQUEXNSZUHELF-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN Cc1nc2c(s1)CN(Cc1cccc3c1CCCC3)CC2 ZINC001232637953 1132500738 /nfs/dbraw/zinc/50/07/38/1132500738.db2.gz DJYZBIXBBVBCGF-UHFFFAOYSA-N 0 1 298.455 3.889 20 0 CHADMN Cc1nc(CN2C[C@H](C)C[C@@H](C)C2)ccc1Br ZINC001232665694 1132502274 /nfs/dbraw/zinc/50/22/74/1132502274.db2.gz PMOQZWSIUSBSQL-GHMZBOCLSA-N 0 1 297.240 3.630 20 0 CHADMN CCCN[C@@H](C)c1nc(C(C)(C)Cc2ccccc2)no1 ZINC000843224618 1132506159 /nfs/dbraw/zinc/50/61/59/1132506159.db2.gz OYWJIVXPHBLFGB-ZDUSSCGKSA-N 0 1 287.407 3.651 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2cccc(C(C)(F)F)c2)no1 ZINC000843240764 1132507797 /nfs/dbraw/zinc/50/77/97/1132507797.db2.gz UQJXGJIKUXZAGM-JTQLQIEISA-N 0 1 295.333 3.909 20 0 CHADMN Cc1c(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)ccnc1Cl ZINC001232752288 1132517099 /nfs/dbraw/zinc/51/70/99/1132517099.db2.gz UPMNWHVIKLSHBZ-TXEJJXNPSA-N 0 1 286.753 3.521 20 0 CHADMN Cc1cc(CN2CC[C@H](COCC3CC3)C2)c(F)cc1F ZINC001232787433 1132522156 /nfs/dbraw/zinc/52/21/56/1132522156.db2.gz ZQYOEJCONIWYSH-AWEZNQCLSA-N 0 1 295.373 3.522 20 0 CHADMN CCCn1cnc(CN2CCC(C)(c3ccccc3)CC2)c1 ZINC001232800357 1132522923 /nfs/dbraw/zinc/52/29/23/1132522923.db2.gz PCJMIZSAWZLDRQ-UHFFFAOYSA-N 0 1 297.446 3.847 20 0 CHADMN CCCn1cnc(CN2CCC[C@@H]2c2ccccc2C)c1 ZINC001232798366 1132525063 /nfs/dbraw/zinc/52/50/63/1132525063.db2.gz ZOBIYSPULGVNAD-GOSISDBHSA-N 0 1 283.419 3.939 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(C(C)(C)O)nc2)cc1C ZINC001232827634 1132526339 /nfs/dbraw/zinc/52/63/39/1132526339.db2.gz KBYDJGMEAJWUPS-UHFFFAOYSA-N 0 1 298.430 3.558 20 0 CHADMN CC[C@H]1CCCN1Cc1ccc(F)c(F)c1Cl ZINC001232875990 1132533762 /nfs/dbraw/zinc/53/37/62/1132533762.db2.gz JHBNWZBHAGFQQY-JTQLQIEISA-N 0 1 259.727 3.993 20 0 CHADMN Cc1cc(O)cc(CN2CCCC[C@H]2c2cccnc2)c1 ZINC001232883143 1132534619 /nfs/dbraw/zinc/53/46/19/1132534619.db2.gz GPNUXACITSMXCE-SFHVURJKSA-N 0 1 282.387 3.823 20 0 CHADMN c1oc(C2CC2)nc1CN1CCCC[C@H]1C1CCC1 ZINC000843437373 1132534849 /nfs/dbraw/zinc/53/48/49/1132534849.db2.gz FMQJVWLYHZTQJY-HNNXBMFYSA-N 0 1 260.381 3.707 20 0 CHADMN Cc1cc(Nc2ccc(C)cc2)n(-c2ccncc2)n1 ZINC001173801770 1132536450 /nfs/dbraw/zinc/53/64/50/1132536450.db2.gz DGNBXQJOPYFCAJ-UHFFFAOYSA-N 0 1 264.332 3.628 20 0 CHADMN COc1c(F)ccc(CN2CC[C@@H]3CCC[C@H]3C2)c1F ZINC001143319843 1132536793 /nfs/dbraw/zinc/53/67/93/1132536793.db2.gz AQYHWFLGYVXZEA-RYUDHWBXSA-N 0 1 281.346 3.595 20 0 CHADMN CN(Cc1cncs1)Cc1ccccc1-n1cccc1 ZINC001232912881 1132542053 /nfs/dbraw/zinc/54/20/53/1132542053.db2.gz YNMSLIJSDHZRPR-UHFFFAOYSA-N 0 1 283.400 3.566 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(F)c([O-])c2F)CC1 ZINC001232938286 1132545187 /nfs/dbraw/zinc/54/51/87/1132545187.db2.gz DCUQHXCJFPJOGD-UMSPYCQHSA-N 0 1 269.335 3.681 20 0 CHADMN Oc1c(Cl)ccc(Nc2cccc3c2COC3)c1F ZINC001214804506 1132552552 /nfs/dbraw/zinc/55/25/52/1132552552.db2.gz UXVOIGYYHYELBL-UHFFFAOYSA-N 0 1 279.698 3.959 20 0 CHADMN CC(C)Cn1cnc(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214797934 1132553189 /nfs/dbraw/zinc/55/31/89/1132553189.db2.gz KNWUFGMDSPDMLV-UHFFFAOYSA-N 0 1 283.734 3.781 20 0 CHADMN Cc1ccc(Cl)c(NC(=O)CN(C)CC(C)(C)C)c1 ZINC001150437943 1132555033 /nfs/dbraw/zinc/55/50/33/1132555033.db2.gz BQBCRGZUNGZOBD-UHFFFAOYSA-N 0 1 282.815 3.565 20 0 CHADMN [O-]c1cc(C[N@@H+](Cc2ccccc2)C2CC2)cc(F)c1F ZINC001232976058 1132555329 /nfs/dbraw/zinc/55/53/29/1132555329.db2.gz UTQWZSBEAJCPOT-UHFFFAOYSA-N 0 1 289.325 3.835 20 0 CHADMN CC(C)(C)C1CC[NH+](Cc2cc(Cl)ncc2[O-])CC1 ZINC001233032418 1132564121 /nfs/dbraw/zinc/56/41/21/1132564121.db2.gz KDMPDKYYLPSSLU-UHFFFAOYSA-N 0 1 282.815 3.699 20 0 CHADMN CN(CCCc1ccccc1)Cc1cccc(O)c1F ZINC001233052844 1132567067 /nfs/dbraw/zinc/56/70/67/1132567067.db2.gz XYZHFSZLOZJDAO-UHFFFAOYSA-N 0 1 273.351 3.596 20 0 CHADMN CC(C)(C)C1CC[NH+](Cc2cccc([O-])c2F)CC1 ZINC001233051051 1132567564 /nfs/dbraw/zinc/56/75/64/1132567564.db2.gz ZICQDVBPGCIUHC-UHFFFAOYSA-N 0 1 265.372 3.789 20 0 CHADMN CC(C)N(Cc1ccccc1)Cc1cccc(O)c1F ZINC001233048314 1132568328 /nfs/dbraw/zinc/56/83/28/1132568328.db2.gz AZCMUFVFTOFSPR-UHFFFAOYSA-N 0 1 273.351 3.942 20 0 CHADMN Cc1ccc(CN(C)Cc2[nH]nc3cc(F)ccc32)cc1 ZINC001233124407 1132572213 /nfs/dbraw/zinc/57/22/13/1132572213.db2.gz LKZJQRRCQABUHW-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc(C)c(C)c2)cc1C ZINC001233161443 1132573567 /nfs/dbraw/zinc/57/35/67/1132573567.db2.gz CBIDXCICUVSNER-UHFFFAOYSA-N 0 1 268.404 3.947 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(Cl)c2)cc1O ZINC001233233820 1132587011 /nfs/dbraw/zinc/58/70/11/1132587011.db2.gz QTXFODOVOKIYRT-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1ccc(CF)cc1 ZINC001152994973 1132588864 /nfs/dbraw/zinc/58/88/64/1132588864.db2.gz DLLAJDRYARDECP-UHFFFAOYSA-N 0 1 279.698 3.767 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cccc2ccncc21 ZINC001152995447 1132589635 /nfs/dbraw/zinc/58/96/35/1132589635.db2.gz OUQNSDNOAMTCHO-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN C[N@@H+](Cc1ccc([S-])cc1)Cc1ccccc1F ZINC001233261143 1132591073 /nfs/dbraw/zinc/59/10/73/1132591073.db2.gz CWILOGPNTURJTF-UHFFFAOYSA-N 0 1 261.365 3.746 20 0 CHADMN CC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc([S-])cc1)CC2 ZINC001233262234 1132592381 /nfs/dbraw/zinc/59/23/81/1132592381.db2.gz XHGLRWIRGVMHII-UHFFFAOYSA-N 0 1 297.423 3.736 20 0 CHADMN CC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc([S-])cc1)CC2 ZINC001233262234 1132592387 /nfs/dbraw/zinc/59/23/87/1132592387.db2.gz XHGLRWIRGVMHII-UHFFFAOYSA-N 0 1 297.423 3.736 20 0 CHADMN C[N@@H+](CCC(=O)c1cccs1)Cc1ccc([S-])cc1 ZINC001233262221 1132592746 /nfs/dbraw/zinc/59/27/46/1132592746.db2.gz WPZRIUKJBIAYMR-UHFFFAOYSA-N 0 1 291.441 3.742 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1cccc2c1CCO2 ZINC001233277215 1132593373 /nfs/dbraw/zinc/59/33/73/1132593373.db2.gz SBSHAMZBRQTZCI-AWEZNQCLSA-N 0 1 297.398 3.823 20 0 CHADMN COc1ccc([C@H]2CC[N@@H+](Cc3ccc([S-])cc3)C2)cc1 ZINC001233262023 1132593758 /nfs/dbraw/zinc/59/37/58/1132593758.db2.gz NZGYHVXROHLEKJ-INIZCTEOSA-N 0 1 299.439 3.973 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cc(C)ns1 ZINC001233312742 1132596453 /nfs/dbraw/zinc/59/64/53/1132596453.db2.gz JFXUWDIZVCZVHQ-INIZCTEOSA-N 0 1 272.417 3.961 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3cccc(C(C)C)n3)c2[nH]1 ZINC001153603699 1132597440 /nfs/dbraw/zinc/59/74/40/1132597440.db2.gz DFUMJVSIGVCQLK-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN Clc1ccc(CN2CCC[C@H](c3ccccn3)C2)o1 ZINC001233316607 1132600433 /nfs/dbraw/zinc/60/04/33/1132600433.db2.gz RBVORVUTWKYCFR-LBPRGKRZSA-N 0 1 276.767 3.708 20 0 CHADMN c1ccc(Cc2ccc(CN3CCOC4(CC4)C3)cc2)cc1 ZINC001233331886 1132601727 /nfs/dbraw/zinc/60/17/27/1132601727.db2.gz OUZGPJQVEVKEAV-UHFFFAOYSA-N 0 1 293.410 3.642 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CC[C@H](c3ccccc3)C2)cc1F ZINC000133695258 1132603081 /nfs/dbraw/zinc/60/30/81/1132603081.db2.gz FFCFJAFKARLRFR-AWEZNQCLSA-N 0 1 289.325 3.660 20 0 CHADMN CC1(C)CCN(Cc2cc(O)ccc2Br)CC1 ZINC000133938853 1132607496 /nfs/dbraw/zinc/60/74/96/1132607496.db2.gz IFTYMRJMYDRPKL-UHFFFAOYSA-N 0 1 298.224 3.777 20 0 CHADMN CSc1cccc(Cl)c1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001233353033 1132609769 /nfs/dbraw/zinc/60/97/69/1132609769.db2.gz DKOZFMWPTXTFEZ-RISCZKNCSA-N 0 1 297.851 3.673 20 0 CHADMN CC[C@@H]1CCCN(Cc2cnc3cccc(Cl)n23)C1 ZINC001233359467 1132609896 /nfs/dbraw/zinc/60/98/96/1132609896.db2.gz XPJLXJGHKBIQCW-GFCCVEGCSA-N 0 1 277.799 3.610 20 0 CHADMN Clc1cccc2ncc(C[N@H+]3CC[C@@H]4CCC[C@@H]4C3)n21 ZINC001233356463 1132610147 /nfs/dbraw/zinc/61/01/47/1132610147.db2.gz MXPFXIAMNAUNML-QWHCGFSZSA-N 0 1 289.810 3.610 20 0 CHADMN Clc1cccc2ncc(CN3CC[C@@H]4CCC[C@@H]4C3)n21 ZINC001233356463 1132610155 /nfs/dbraw/zinc/61/01/55/1132610155.db2.gz MXPFXIAMNAUNML-QWHCGFSZSA-N 0 1 289.810 3.610 20 0 CHADMN CC/C=C/NC(=O)c1cccc2nc(-c3ccccc3)[nH]c21 ZINC001154490323 1132616324 /nfs/dbraw/zinc/61/63/24/1132616324.db2.gz YHNIFOVNWPJZQF-KGVSQERTSA-N 0 1 291.354 3.883 20 0 CHADMN C[C@@H]1CN(Cc2ccc3nc(Cl)ccc3c2)C[C@@H]1F ZINC001233442298 1132623016 /nfs/dbraw/zinc/62/30/16/1132623016.db2.gz NEUSAKZSZZRNJT-MFKMUULPSA-N 0 1 278.758 3.678 20 0 CHADMN c1cc(Nc2ccc(OC3CCCC3)cc2)ccn1 ZINC001173883249 1132623156 /nfs/dbraw/zinc/62/31/56/1132623156.db2.gz CXAOCHQYBRHHMZ-UHFFFAOYSA-N 0 1 254.333 3.569 20 0 CHADMN CCc1cc(Nc2ccncc2)ccc1Br ZINC001173882716 1132623256 /nfs/dbraw/zinc/62/32/56/1132623256.db2.gz PMCARLHNPULQJJ-UHFFFAOYSA-N 0 1 277.165 3.572 20 0 CHADMN CCc1cc(Br)ccc1Nc1ccncc1 ZINC001173882647 1132623359 /nfs/dbraw/zinc/62/33/59/1132623359.db2.gz NPWGCTUAEVVIIN-UHFFFAOYSA-N 0 1 277.165 3.572 20 0 CHADMN Cc1ccc(NC(=O)OC(C)(C)C)c(Nc2ccncc2)c1 ZINC001173885128 1132624763 /nfs/dbraw/zinc/62/47/63/1132624763.db2.gz KKBVEZMIKSQYRW-UHFFFAOYSA-N 0 1 299.374 3.903 20 0 CHADMN Fc1ccc(OCc2ccccc2)cc1Nc1ccncc1 ZINC001173884479 1132625443 /nfs/dbraw/zinc/62/54/43/1132625443.db2.gz PSDUMSYYWITIBT-UHFFFAOYSA-N 0 1 294.329 3.965 20 0 CHADMN CSc1ccc(Nc2ccncc2)cc1Br ZINC001173883978 1132625626 /nfs/dbraw/zinc/62/56/26/1132625626.db2.gz AHDAVKYOKFLGEP-UHFFFAOYSA-N 0 1 295.205 3.732 20 0 CHADMN CCc1ccccc1Nc1cc(C)nn1-c1ccncc1 ZINC001173969540 1132639247 /nfs/dbraw/zinc/63/92/47/1132639247.db2.gz LIVDWMKLAKFZBS-UHFFFAOYSA-N 0 1 278.359 3.882 20 0 CHADMN CCc1ccccc1Nc1ccc(N2CCN(C)CC2)cc1 ZINC001173970082 1132639919 /nfs/dbraw/zinc/63/99/19/1132639919.db2.gz ZVKBXBIFYJOABA-UHFFFAOYSA-N 0 1 295.430 3.744 20 0 CHADMN O=c1cc(Cl)c(O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)n[nH]1 ZINC001233585254 1132642193 /nfs/dbraw/zinc/64/21/93/1132642193.db2.gz BXCPVJZKNVESAJ-GMTAPVOTSA-N 0 1 282.771 3.573 20 0 CHADMN Cc1cnc(NCCc2ccc(C(F)(F)F)nc2)c(C)c1 ZINC001155139088 1132642326 /nfs/dbraw/zinc/64/23/26/1132642326.db2.gz SCQPWQMWMXCVDJ-UHFFFAOYSA-N 0 1 295.308 3.767 20 0 CHADMN Cc1ccc(NCCc2ccc(C(F)(F)F)nc2)nc1C ZINC001155138883 1132642797 /nfs/dbraw/zinc/64/27/97/1132642797.db2.gz HTYWTBBYIHYPHX-UHFFFAOYSA-N 0 1 295.308 3.767 20 0 CHADMN CC(=O)c1c(F)cccc1Nc1ccccc1CN(C)C ZINC001173932984 1132645697 /nfs/dbraw/zinc/64/56/97/1132645697.db2.gz WTDWSRLAGKYWLA-UHFFFAOYSA-N 0 1 286.350 3.834 20 0 CHADMN CC(C)(C)C(=N)Nc1cc(F)cc2ncnc(Cl)c21 ZINC001155180201 1132646364 /nfs/dbraw/zinc/64/63/64/1132646364.db2.gz LLQOYUDZRISXOR-UHFFFAOYSA-N 0 1 280.734 3.858 20 0 CHADMN Cc1ccc(NCc2cn(C)c3ccccc23)nc1C ZINC001155286063 1132651626 /nfs/dbraw/zinc/65/16/26/1132651626.db2.gz JXNGYQTYVOWTAS-UHFFFAOYSA-N 0 1 265.360 3.802 20 0 CHADMN CCc1cccc(CC)c1NC(=O)c1cccc2cncn21 ZINC001155798841 1132665092 /nfs/dbraw/zinc/66/50/92/1132665092.db2.gz RWTQQIOSCYTANU-UHFFFAOYSA-N 0 1 293.370 3.711 20 0 CHADMN COC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)(C)c1ccnc(Cl)c1 ZINC001155817488 1132667026 /nfs/dbraw/zinc/66/70/26/1132667026.db2.gz JDANPQMOUARGJV-PBWFPOADSA-N 0 1 294.826 3.612 20 0 CHADMN Brc1cc(N=C2CCCC2)c2nccn2c1 ZINC001173996822 1132668985 /nfs/dbraw/zinc/66/89/85/1132668985.db2.gz PGUGWVRLAXKTQY-UHFFFAOYSA-N 0 1 278.153 3.577 20 0 CHADMN Cc1cnc(N[C@H](c2cccnc2)C(F)(F)F)cc1C ZINC001156162852 1132684558 /nfs/dbraw/zinc/68/45/58/1132684558.db2.gz HEUWAUAZGGUOCX-CYBMUJFWSA-N 0 1 281.281 3.809 20 0 CHADMN CN1CCC[C@H](Oc2c(F)cccc2C(C)(C)C)C1 ZINC001233826534 1132685403 /nfs/dbraw/zinc/68/54/03/1132685403.db2.gz CYUWTMURORFHMZ-LBPRGKRZSA-N 0 1 265.372 3.596 20 0 CHADMN Cc1ccc(Nc2cccc(N3CCN(C)CC3)c2)cc1F ZINC001174020315 1132693238 /nfs/dbraw/zinc/69/32/38/1132693238.db2.gz GUKISSZGYULLJZ-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN Cc1cnc(N(C)Cc2ccc(-n3ccnc3)cc2)cc1C ZINC001156788397 1132710298 /nfs/dbraw/zinc/71/02/98/1132710298.db2.gz XDARCZAWNNNBRU-UHFFFAOYSA-N 0 1 292.386 3.521 20 0 CHADMN Cc1ccc2nc(N)n(-c3cccc(OC(C)C)c3)c2c1 ZINC001174112888 1132727939 /nfs/dbraw/zinc/72/79/39/1132727939.db2.gz SHIUMWGBJRWJGH-UHFFFAOYSA-N 0 1 281.359 3.703 20 0 CHADMN C/C(=C/C(=O)Nc1ccc2cncn2c1)c1ccc(F)cc1 ZINC001157389234 1132731724 /nfs/dbraw/zinc/73/17/24/1132731724.db2.gz UKQCRYBMCJLKDV-WQLSENKSSA-N 0 1 295.317 3.515 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H](N)c1ccc2ccccc2c1 ZINC001157450400 1132731820 /nfs/dbraw/zinc/73/18/20/1132731820.db2.gz AABADEKXAWAWQO-IYOUNJFTSA-N 0 1 296.414 3.629 20 0 CHADMN C=Cc1ccc(CNc2cc(Cl)nc3[nH]cnc32)cc1 ZINC001157771032 1132742036 /nfs/dbraw/zinc/74/20/36/1132742036.db2.gz BVGQUPJVFQPYOB-UHFFFAOYSA-N 0 1 284.750 3.866 20 0 CHADMN Cc1ccc(N[C@H]2CCCc3cccnc32)nc1C ZINC001157843412 1132748106 /nfs/dbraw/zinc/74/81/06/1132748106.db2.gz QBLVXSWJDJGFDI-AWEZNQCLSA-N 0 1 253.349 3.583 20 0 CHADMN COc1cccnc1CNc1nccc2cccc(C)c21 ZINC001158330733 1132769793 /nfs/dbraw/zinc/76/97/93/1132769793.db2.gz QRQPOPWEWGLBIK-UHFFFAOYSA-N 0 1 279.343 3.559 20 0 CHADMN O=C1CCCCc2c(Nc3ccc4nccn4c3)cccc21 ZINC001174280465 1132770069 /nfs/dbraw/zinc/77/00/69/1132770069.db2.gz XXNCKHRGBNWNSJ-UHFFFAOYSA-N 0 1 291.354 3.987 20 0 CHADMN CCN(C)c1cc(C)nc(N[C@@H]2C[C@@H](C)c3ccccc32)n1 ZINC001158466104 1132776904 /nfs/dbraw/zinc/77/69/04/1132776904.db2.gz CVQCFZMVMSORRN-MLGOLLRUSA-N 0 1 296.418 3.902 20 0 CHADMN Clc1ccc(Nc2ccc3nccn3c2)c(Cl)n1 ZINC001174275783 1132783836 /nfs/dbraw/zinc/78/38/36/1132783836.db2.gz IJWPWDGEEOAZCJ-UHFFFAOYSA-N 0 1 279.130 3.780 20 0 CHADMN Cc1cnc(NC[C@@H](C)c2ccc(O)cc2)c(C)c1 ZINC001158605705 1132783975 /nfs/dbraw/zinc/78/39/75/1132783975.db2.gz COCCUJIBSUQJCY-CYBMUJFWSA-N 0 1 256.349 3.620 20 0 CHADMN c1cn2cc(Nc3ccc4ncsc4c3)ccc2n1 ZINC001174276622 1132784849 /nfs/dbraw/zinc/78/48/49/1132784849.db2.gz KQZOFKAYVVGYGM-UHFFFAOYSA-N 0 1 266.329 3.688 20 0 CHADMN Cc1cnc(NC[C@H](C)c2ccc(O)cc2)cc1C ZINC001158607498 1132785146 /nfs/dbraw/zinc/78/51/46/1132785146.db2.gz NEWKPUCFSXDRFH-ZDUSSCGKSA-N 0 1 256.349 3.620 20 0 CHADMN Cc1noc2ccc(Nc3ccc4nccn4c3)cc12 ZINC001174277456 1132786304 /nfs/dbraw/zinc/78/63/04/1132786304.db2.gz FMWDNUJNYMYRKL-UHFFFAOYSA-N 0 1 264.288 3.528 20 0 CHADMN COc1ccc(Nc2ccc3nccn3c2)c2ncccc12 ZINC001174277271 1132786342 /nfs/dbraw/zinc/78/63/42/1132786342.db2.gz ADDOBDWKGITSTM-UHFFFAOYSA-N 0 1 290.326 3.635 20 0 CHADMN Nc1cc(Cl)cc2c1ccn2-c1ccc2nccn2c1 ZINC001174277645 1132786752 /nfs/dbraw/zinc/78/67/52/1132786752.db2.gz KLCNORSULRAACV-UHFFFAOYSA-N 0 1 282.734 3.514 20 0 CHADMN CCOc1ccccc1OCCNc1ccc(C)c(C)n1 ZINC001158820944 1132794182 /nfs/dbraw/zinc/79/41/82/1132794182.db2.gz QDYFHGJRQRFSEP-UHFFFAOYSA-N 0 1 286.375 3.588 20 0 CHADMN CC(C)Oc1ccnc(N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC001158840362 1132795244 /nfs/dbraw/zinc/79/52/44/1132795244.db2.gz KJJDYCOFOKWPPH-JKSUJKDBSA-N 0 1 268.360 3.837 20 0 CHADMN Clc1cc2nc[nH]c2nc1N[C@@H]1C[C@H]1c1ccccc1 ZINC001158840212 1132795455 /nfs/dbraw/zinc/79/54/55/1132795455.db2.gz BZFPTEJTUAXMCK-CMPLNLGQSA-N 0 1 284.750 3.579 20 0 CHADMN Cc1cc(Nc2ccc3cnn(C)c3c2)c2ccccc2n1 ZINC001174337291 1132797043 /nfs/dbraw/zinc/79/70/43/1132797043.db2.gz NCHWBDYJNQTBHM-UHFFFAOYSA-N 0 1 288.354 3.595 20 0 CHADMN Cc1cnc(N(C)[C@@H]2CCc3ccccc32)cc1C ZINC001158920319 1132797570 /nfs/dbraw/zinc/79/75/70/1132797570.db2.gz KOVVCWWOUYUKFD-MRXNPFEDSA-N 0 1 252.361 3.822 20 0 CHADMN Cc1ccc(N(C)[C@H]2CCc3ccccc32)nc1C ZINC001158923056 1132798855 /nfs/dbraw/zinc/79/88/55/1132798855.db2.gz ZAXYJUKDKNWDDU-INIZCTEOSA-N 0 1 252.361 3.822 20 0 CHADMN Cc1cc2c(ncnc2Nc2cccc3[nH]ncc32)s1 ZINC001174342159 1132799375 /nfs/dbraw/zinc/79/93/75/1132799375.db2.gz HPPUKMWMKAVBKT-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Fc1cc(C(F)(F)F)cnc1Nc1cccc2[nH]ncc21 ZINC001174342650 1132799399 /nfs/dbraw/zinc/79/93/99/1132799399.db2.gz KUMSQPHPODZBOA-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN COc1cccc(Nc2cccc3[nH]ncc32)c1Cl ZINC001174344388 1132801070 /nfs/dbraw/zinc/80/10/70/1132801070.db2.gz XVCBQLOSTMDJIM-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN c1n[nH]c2cccc(Nc3cncc(C4CC4)c3)c12 ZINC001174343759 1132801370 /nfs/dbraw/zinc/80/13/70/1132801370.db2.gz WZMKUZOCLHBIHK-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN c1n[nH]c2cccc(Nc3cnc4c(c3)CCCC4)c12 ZINC001174343185 1132802434 /nfs/dbraw/zinc/80/24/34/1132802434.db2.gz KVPIBMMOPFWUCP-UHFFFAOYSA-N 0 1 264.332 3.580 20 0 CHADMN Cc1cc(Nc2c(Cl)cccc2CO)c2ccccc2n1 ZINC001159105720 1132807777 /nfs/dbraw/zinc/80/77/77/1132807777.db2.gz ZTZKQIGSQROIMQ-UHFFFAOYSA-N 0 1 298.773 3.854 20 0 CHADMN Cc1ccc(Nc2cc([C@@H]3CCCCN3)no2)c(F)c1 ZINC001159307912 1132827386 /nfs/dbraw/zinc/82/73/86/1132827386.db2.gz FWRHYIGJUVGNHP-ZDUSSCGKSA-N 0 1 275.327 3.680 20 0 CHADMN CSc1ccc(Nc2cc([C@H]3CCCCN3)no2)cc1 ZINC001159309254 1132827634 /nfs/dbraw/zinc/82/76/34/1132827634.db2.gz RUZMPAGCJQXADL-CYBMUJFWSA-N 0 1 289.404 3.955 20 0 CHADMN CCc1ccc(Nc2cc([C@@H]3CCCCN3)no2)cc1 ZINC001159308513 1132828591 /nfs/dbraw/zinc/82/85/91/1132828591.db2.gz JMCKFONOAKLFAQ-AWEZNQCLSA-N 0 1 271.364 3.795 20 0 CHADMN Fc1cc(F)cc(Nc2cc([C@@H]3CCCCN3)no2)c1 ZINC001159308911 1132828704 /nfs/dbraw/zinc/82/87/04/1132828704.db2.gz OJJLSFYIUCNUSL-LBPRGKRZSA-N 0 1 279.290 3.511 20 0 CHADMN Cn1ccc2c1cccc2Nc1cc([C@H]2CCCCN2)no1 ZINC001159312942 1132829152 /nfs/dbraw/zinc/82/91/52/1132829152.db2.gz HJWYUUVKHBHNKR-CQSZACIVSA-N 0 1 296.374 3.725 20 0 CHADMN Cc1cc(F)cc(Nc2cc([C@@H]3CCCCN3)no2)c1 ZINC001159309895 1132829230 /nfs/dbraw/zinc/82/92/30/1132829230.db2.gz YZYVZYFDGQQSGX-ZDUSSCGKSA-N 0 1 275.327 3.680 20 0 CHADMN Cc1cnc(NC2CC(C)(C)OC(C)(C)C2)c(C)c1 ZINC001159319544 1132831543 /nfs/dbraw/zinc/83/15/43/1132831543.db2.gz UYWKIDMSPIEQKR-UHFFFAOYSA-N 0 1 262.397 3.847 20 0 CHADMN Cc1ccc(Nc2cccc3c2NCC3)c2cn[nH]c21 ZINC001159458627 1132848433 /nfs/dbraw/zinc/84/84/33/1132848433.db2.gz YKTSSXATLMNCDF-UHFFFAOYSA-N 0 1 264.332 3.583 20 0 CHADMN Cc1c[nH+]c(Nc2cccc(/C=C/C(=O)[O-])c2)c(C)c1 ZINC001174495847 1132860753 /nfs/dbraw/zinc/86/07/53/1132860753.db2.gz ZIEFMNOWVMSAIZ-VOTSOKGWSA-N 0 1 268.316 3.540 20 0 CHADMN c1nc2ccc(Nc3ccc4c[nH]nc4c3)cc2s1 ZINC001174500220 1132861188 /nfs/dbraw/zinc/86/11/88/1132861188.db2.gz LDAXGKOTZZXOSQ-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN CCc1nccc(C)c1Nc1ccc2c[nH]nc2c1 ZINC001174498730 1132863313 /nfs/dbraw/zinc/86/33/13/1132863313.db2.gz LIJIGRVPUAMRCI-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN COc1ccc2ncc(Nc3ccc4c[nH]nc4c3)cc2c1 ZINC001174497954 1132863723 /nfs/dbraw/zinc/86/37/23/1132863723.db2.gz DGHBNSLNQPJOSH-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN Cc1cnn(CC2CCC2)c1Nc1ccc2c[nH]nc2c1 ZINC001174499392 1132865669 /nfs/dbraw/zinc/86/56/69/1132865669.db2.gz UTFIPGMQUZIYKJ-UHFFFAOYSA-N 0 1 281.363 3.612 20 0 CHADMN Fc1cc(Nc2ccc3c[nH]nc3c2)cc(F)c1F ZINC001174499748 1132872159 /nfs/dbraw/zinc/87/21/59/1132872159.db2.gz AOHNNCZEGAZEJH-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN Cc1nc2cc(Nc3ccc4c(c3)NCCC4)ccc2[nH]1 ZINC001159604937 1132872405 /nfs/dbraw/zinc/87/24/05/1132872405.db2.gz WBXAZLNAABUSEL-UHFFFAOYSA-N 0 1 278.359 3.973 20 0 CHADMN Cc1ccc(Nc2ccc3c(c2)NCCC3)c2cn[nH]c21 ZINC001159608927 1132874238 /nfs/dbraw/zinc/87/42/38/1132874238.db2.gz HHZZEQDOVFWISI-UHFFFAOYSA-N 0 1 278.359 3.973 20 0 CHADMN Fc1ccc2[nH]ccc2c1Nc1ccc2c[nH]nc2c1 ZINC001159662909 1132888328 /nfs/dbraw/zinc/88/83/28/1132888328.db2.gz KZSOVLZWZGLTOP-UHFFFAOYSA-N 0 1 266.279 3.927 20 0 CHADMN Cc1ccc(-c2cc(Nc3ccncc3C)on2)cc1 ZINC001174536406 1132897802 /nfs/dbraw/zinc/89/78/02/1132897802.db2.gz DLPRJUQBUIZAMG-UHFFFAOYSA-N 0 1 265.316 3.519 20 0 CHADMN O=C1CCCc2ccc(Nc3ccc4c[nH]nc4c3)cc2N1 ZINC001174501650 1132902229 /nfs/dbraw/zinc/90/22/29/1132902229.db2.gz CUYMGRUNXIFXIW-UHFFFAOYSA-N 0 1 292.342 3.581 20 0 CHADMN COc1cc(Nc2ccc3c[nH]nc3c2)ccc1C ZINC001174501781 1132902332 /nfs/dbraw/zinc/90/23/32/1132902332.db2.gz FRZKUWQDQFDWRT-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN COc1cc(C)cc(Nc2ccc3c[nH]nc3c2)c1 ZINC001174501645 1132902691 /nfs/dbraw/zinc/90/26/91/1132902691.db2.gz CQCMDJPILSZKKI-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN COc1cc(C(C)=O)ccc1Nc1ccc2c[nH]nc2c1 ZINC001174501958 1132902873 /nfs/dbraw/zinc/90/28/73/1132902873.db2.gz PLPVUTVBOZWGSL-UHFFFAOYSA-N 0 1 281.315 3.518 20 0 CHADMN CCOC(=O)Nc1ccc(Nc2ccc3c[nH]nc3c2)cc1 ZINC001174500912 1132903200 /nfs/dbraw/zinc/90/32/00/1132903200.db2.gz BORPZDCRYJDQRS-UHFFFAOYSA-N 0 1 296.330 3.875 20 0 CHADMN Cc1cc(C)nc(Nc2ccc(N3CCCCC3)nc2)c1 ZINC001174521807 1132911647 /nfs/dbraw/zinc/91/16/47/1132911647.db2.gz QDDRCPJYIMHGMZ-UHFFFAOYSA-N 0 1 282.391 3.827 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc2c(Cl)[nH]ccc-2n1 ZINC001174556326 1132923022 /nfs/dbraw/zinc/92/30/22/1132923022.db2.gz RWIGYSRSSUGEED-NXEZZACHSA-N 0 1 291.782 3.619 20 0 CHADMN COc1ccc(Nc2cc(Cl)cc3[nH]ncc32)c(N)c1 ZINC001159909162 1132923054 /nfs/dbraw/zinc/92/30/54/1132923054.db2.gz GGLGZPSLGQDMPW-UHFFFAOYSA-N 0 1 288.738 3.551 20 0 CHADMN CC(=Nc1ccc2sc(N)nc2c1)c1ccccc1 ZINC001160006628 1132934503 /nfs/dbraw/zinc/93/45/03/1132934503.db2.gz WLYCEUIRORKPQZ-UHFFFAOYSA-N 0 1 267.357 3.961 20 0 CHADMN Cc1cc(Nc2cc(Cl)cc3[nH]ncc32)ccc1N ZINC001160212151 1132947318 /nfs/dbraw/zinc/94/73/18/1132947318.db2.gz MCGVMKXPAURINS-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1c(F)cccc1Nc1ccc(N2CCN(C)CC2)cc1 ZINC001174668153 1132957188 /nfs/dbraw/zinc/95/71/88/1132957188.db2.gz BMUCRHFQCYEZQG-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN Cc1cnc(NCCc2cc(F)cc(F)c2)cc1C ZINC001160574961 1132974425 /nfs/dbraw/zinc/97/44/25/1132974425.db2.gz NYAZPQBPBMAURS-UHFFFAOYSA-N 0 1 262.303 3.631 20 0 CHADMN CCc1ccc(CN2CCC(O)(c3ccc(C)cc3)CC2)o1 ZINC001204389444 1132974840 /nfs/dbraw/zinc/97/48/40/1132974840.db2.gz OVSXXGNQWJQCDL-UHFFFAOYSA-N 0 1 299.414 3.634 20 0 CHADMN Cc1cnc(NC2CC3(C2)CC(F)(F)C3)c(C)c1 ZINC001160587673 1132975396 /nfs/dbraw/zinc/97/53/96/1132975396.db2.gz AFLXTJOAMLWSGN-UHFFFAOYSA-N 0 1 252.308 3.688 20 0 CHADMN CCc1cccc(N(C)C(=O)c2ccc(Cl)c(O)c2)c1 ZINC001161100224 1132994258 /nfs/dbraw/zinc/99/42/58/1132994258.db2.gz PZNHSCPFSXHNAA-UHFFFAOYSA-N 0 1 289.762 3.885 20 0 CHADMN Cc1c(NC(=O)C(C)(C)C)ccnc1NCC(C)(C)C ZINC001161634730 1133011605 /nfs/dbraw/zinc/01/16/05/1133011605.db2.gz LLAFURLWUISWOW-UHFFFAOYSA-N 0 1 277.412 3.833 20 0 CHADMN CCC[C@H](C)Nc1cc2cc(OC)c(OC)cc2cn1 ZINC001161719381 1133020171 /nfs/dbraw/zinc/02/01/71/1133020171.db2.gz KBZWTHOSJNRFNQ-NSHDSACASA-N 0 1 274.364 3.853 20 0 CHADMN Cc1cnc(N[C@@H](c2ccnc(F)c2)C2CC2)c(C)c1 ZINC001161840805 1133033584 /nfs/dbraw/zinc/03/35/84/1133033584.db2.gz NATFTWFODYUILD-OAHLLOKOSA-N 0 1 271.339 3.796 20 0 CHADMN Fc1cc([C@H](Nc2ccc3c(n2)CCC3)C2CC2)ccn1 ZINC001161841483 1133034877 /nfs/dbraw/zinc/03/48/77/1133034877.db2.gz ULUWBCBMWOGNRJ-QGZVFWFLSA-N 0 1 283.350 3.668 20 0 CHADMN Clc1nc2[nH]cnc2c(NCC2CCCCCCC2)n1 ZINC001162211428 1133060085 /nfs/dbraw/zinc/06/00/85/1133060085.db2.gz WAJLWPQGMNDZQU-UHFFFAOYSA-N 0 1 293.802 3.730 20 0 CHADMN CC(C)(C)N1CC(Nc2nccc3cc(Cl)ccc32)C1 ZINC001162221076 1133060886 /nfs/dbraw/zinc/06/08/86/1133060886.db2.gz HABVXZCFAULBLQ-UHFFFAOYSA-N 0 1 289.810 3.783 20 0 CHADMN CC[C@@H](C)C[C@@H](C)Nc1ccncc1C(F)(F)F ZINC001162605408 1133094199 /nfs/dbraw/zinc/09/41/99/1133094199.db2.gz NCLNUWMLMBJGTA-NXEZZACHSA-N 0 1 260.303 3.759 20 0 CHADMN FC(F)Oc1ccnc(NC[C@@H]2CCC(F)(F)C2)c1 ZINC001162656041 1133101164 /nfs/dbraw/zinc/10/11/64/1133101164.db2.gz POZAVDDCCATNMK-MRVPVSSYSA-N 0 1 278.249 3.530 20 0 CHADMN CC(C)(C)C(=N)Nc1c(Cl)cnc2c(Cl)nccc21 ZINC001162661315 1133101608 /nfs/dbraw/zinc/10/16/08/1133101608.db2.gz DKZCINLTMKQZSZ-UHFFFAOYSA-N 0 1 297.189 3.794 20 0 CHADMN C/C=C\C(=O)Nc1cccc(Cc2nc3ccccc3[nH]2)c1 ZINC001162693070 1133103642 /nfs/dbraw/zinc/10/36/42/1133103642.db2.gz GXAHJFVJVHUNGC-KXFIGUGUSA-N 0 1 291.354 3.668 20 0 CHADMN CC(C)Oc1ccnc(NC2(Cc3ccc(O)cc3)CC2)c1 ZINC001162735195 1133106802 /nfs/dbraw/zinc/10/68/02/1133106802.db2.gz VGCOPMJBIBXNCP-UHFFFAOYSA-N 0 1 298.386 3.762 20 0 CHADMN Cc1cnc(NC2(Cc3ccc(O)cc3)CC2)c(C)c1 ZINC001162729058 1133107117 /nfs/dbraw/zinc/10/71/17/1133107117.db2.gz FGDXZXPLQSZBOJ-UHFFFAOYSA-N 0 1 268.360 3.591 20 0 CHADMN Cc1ccc2c(ccnc2NCc2ccc(C)nc2)c1 ZINC001162865428 1133117508 /nfs/dbraw/zinc/11/75/08/1133117508.db2.gz LQBLHSSDXVJIEJ-UHFFFAOYSA-N 0 1 263.344 3.859 20 0 CHADMN Cc1cnc(N[C@@H]2CCCc3ccncc32)cc1C ZINC001163174009 1133134303 /nfs/dbraw/zinc/13/43/03/1133134303.db2.gz VBOXZINTFITFHT-OAHLLOKOSA-N 0 1 253.349 3.583 20 0 CHADMN CC(C)Oc1ccnc(NC2(c3ccc(N)cc3)CC2)c1 ZINC001163201955 1133136074 /nfs/dbraw/zinc/13/60/74/1133136074.db2.gz YTNFYMDWWDLZPS-UHFFFAOYSA-N 0 1 283.375 3.552 20 0 CHADMN Cc1cc(N(C)C)nc(NCc2ccc(C(C)C)cc2)n1 ZINC001163820481 1133177457 /nfs/dbraw/zinc/17/74/57/1133177457.db2.gz KAIYOHXYGPPHSM-UHFFFAOYSA-N 0 1 284.407 3.587 20 0 CHADMN CC(C)(Cc1ccc(F)cc1)Nc1cccc2[nH]nnc21 ZINC001163853225 1133180424 /nfs/dbraw/zinc/18/04/24/1133180424.db2.gz RVPNOSOIMCRBBT-UHFFFAOYSA-N 0 1 284.338 3.530 20 0 CHADMN Cn1c(CNc2cc3nc[nH]c3cc2F)cc2ccccc21 ZINC001163951105 1133186990 /nfs/dbraw/zinc/18/69/90/1133186990.db2.gz WAZWZDZEUGEAHV-UHFFFAOYSA-N 0 1 294.333 3.806 20 0 CHADMN C[C@H]1c2ccccc2CCN1c1cc(Cl)nc2[nH]cnc21 ZINC001163955069 1133187434 /nfs/dbraw/zinc/18/74/34/1133187434.db2.gz KKEHRFAVWAPOLI-JTQLQIEISA-N 0 1 298.777 3.735 20 0 CHADMN COc1ccc(O[C@H](C)CNc2nc(C)ccc2C)cc1 ZINC001164041771 1133194429 /nfs/dbraw/zinc/19/44/29/1133194429.db2.gz NFOQVORUXUQYFX-CQSZACIVSA-N 0 1 286.375 3.586 20 0 CHADMN C[C@H](Nc1cccc(=O)n1C)c1ccc2ccccc2c1 ZINC001164142507 1133200596 /nfs/dbraw/zinc/20/05/96/1133200596.db2.gz GEEKAUNVTKDENM-ZDUSSCGKSA-N 0 1 278.355 3.712 20 0 CHADMN CCc1ccc(CN2Cc3ccccc3[C@@H](C)C2)o1 ZINC001204389886 1133217408 /nfs/dbraw/zinc/21/74/08/1133217408.db2.gz XXEVFHOCHKTGCX-ZDUSSCGKSA-N 0 1 255.361 3.961 20 0 CHADMN c1cc2nc3cc(NC[C@H]4CCCCO4)ccc3c-2c[nH]1 ZINC001165240500 1133232193 /nfs/dbraw/zinc/23/21/93/1133232193.db2.gz MZIQEBCTZNFXTK-CYBMUJFWSA-N 0 1 281.359 3.697 20 0 CHADMN Cc1nc2cncc(NC3CCC(C(F)(F)F)CC3)c2[nH]1 ZINC001165642293 1133247181 /nfs/dbraw/zinc/24/71/81/1133247181.db2.gz REKVFLPGHYCHBF-UHFFFAOYSA-N 0 1 298.312 3.799 20 0 CHADMN COC[C@@]12CCC[C@@H]1CN(c1nc(C)cc3ccccc31)C2 ZINC001165928168 1133256076 /nfs/dbraw/zinc/25/60/76/1133256076.db2.gz YXTPSVQCSCDYOM-APWZRJJASA-N 0 1 296.414 3.796 20 0 CHADMN Cc1cn[nH]c1CSCCCCc1ccccc1 ZINC001166005750 1133257095 /nfs/dbraw/zinc/25/70/95/1133257095.db2.gz UEUCXPJTADBPJB-UHFFFAOYSA-N 0 1 260.406 3.974 20 0 CHADMN CCOC(=O)[C@H]1CCCN(Cc2ccccc2Cl)[C@@H]1C ZINC001203382673 1133264824 /nfs/dbraw/zinc/26/48/24/1133264824.db2.gz BHSZBWUWUCNAFM-OCCSQVGLSA-N 0 1 295.810 3.504 20 0 CHADMN Cc1cc2ccccc2c(N2CC[C@H](c3ccncc3)C2)n1 ZINC001166568678 1133271767 /nfs/dbraw/zinc/27/17/67/1133271767.db2.gz KMZKPDRFDVLRSK-KRWDZBQOSA-N 0 1 289.382 3.932 20 0 CHADMN Cc1cc(C)nc(N(Cc2ccccc2)C2CCOCC2)c1 ZINC001166809560 1133289500 /nfs/dbraw/zinc/28/95/00/1133289500.db2.gz OGADEOGASNUCBY-UHFFFAOYSA-N 0 1 296.414 3.884 20 0 CHADMN CC(C)(O)C=CNc1cc(-c2ccc(Cl)s2)on1 ZINC001203216907 1133304762 /nfs/dbraw/zinc/30/47/62/1133304762.db2.gz VAIBTQWIUSTRRL-AATRIKPKSA-N 0 1 284.768 3.753 20 0 CHADMN CCCn1cc(CN[C@@H](c2ccccn2)C2CCC2)c(C)n1 ZINC001203181555 1133304963 /nfs/dbraw/zinc/30/49/63/1133304963.db2.gz YNNPSELYQMZUEU-GOSISDBHSA-N 0 1 298.434 3.628 20 0 CHADMN Cn1cccc1CN1CCC[C@@H]1c1ccccc1F ZINC001203263514 1133308750 /nfs/dbraw/zinc/30/87/50/1133308750.db2.gz GDYVFAPQIQMSDJ-MRXNPFEDSA-N 0 1 258.340 3.501 20 0 CHADMN C[C@@H]1OC2(CCN(Cc3cccn3C)CC2)c2ccccc21 ZINC001203270293 1133308892 /nfs/dbraw/zinc/30/88/92/1133308892.db2.gz HFSAMCFLYHCZES-HNNXBMFYSA-N 0 1 296.414 3.608 20 0 CHADMN COc1nsc(CN[C@H]2CC23CCCCC3)c1Cl ZINC001203263168 1133308981 /nfs/dbraw/zinc/30/89/81/1133308981.db2.gz GDZUDLXJGXOCEF-JTQLQIEISA-N 0 1 286.828 3.618 20 0 CHADMN CCOc1ccc(Cl)cc1CNCc1cccnc1C ZINC001203321336 1133315030 /nfs/dbraw/zinc/31/50/30/1133315030.db2.gz WMYNMKWXUQNASR-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN Clc1cccc(Cl)c1CN1CCC2(COC2)CC1 ZINC001203416467 1133325054 /nfs/dbraw/zinc/32/50/54/1133325054.db2.gz LYNOKHNKLQXQCR-UHFFFAOYSA-N 0 1 286.202 3.606 20 0 CHADMN O[C@@H](CCNCc1c(F)cccc1Cl)C1CCCC1 ZINC001203426870 1133327546 /nfs/dbraw/zinc/32/75/46/1133327546.db2.gz ARDSORBQHIUYCZ-HNNXBMFYSA-N 0 1 285.790 3.510 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1c(C)noc1C ZINC001203521619 1133334736 /nfs/dbraw/zinc/33/47/36/1133334736.db2.gz FATTXQWVTFNSRX-UHFFFAOYSA-N 0 1 269.304 3.592 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ncccc1C ZINC001203520392 1133335293 /nfs/dbraw/zinc/33/52/93/1133335293.db2.gz RTNALYUYVPSEEB-UHFFFAOYSA-N 0 1 265.316 3.690 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccn2nccc2c1 ZINC001203523660 1133335488 /nfs/dbraw/zinc/33/54/88/1133335488.db2.gz UELATTJCRSMIJR-UHFFFAOYSA-N 0 1 290.326 3.635 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cnc(F)c(F)c1 ZINC001203525144 1133335905 /nfs/dbraw/zinc/33/59/05/1133335905.db2.gz TXQQGEMBQPBOSR-UHFFFAOYSA-N 0 1 287.269 3.660 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(N)ccc1OC ZINC001203525701 1133337383 /nfs/dbraw/zinc/33/73/83/1133337383.db2.gz BOHVXQVEAOVIRH-UHFFFAOYSA-N 0 1 295.342 3.578 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc2c(c1)OCC2 ZINC001203528327 1133337783 /nfs/dbraw/zinc/33/77/83/1133337783.db2.gz LSNKEUVCKVYKEE-UHFFFAOYSA-N 0 1 292.338 3.922 20 0 CHADMN CCCO[C@@H]1CCN(Cc2ccccc2C(F)(F)F)C1 ZINC001203692884 1133354878 /nfs/dbraw/zinc/35/48/78/1133354878.db2.gz FJURGXIADDKUAO-CYBMUJFWSA-N 0 1 287.325 3.706 20 0 CHADMN Cc1cc(C)c(CN(C)Cc2cnc3ccccn23)c(C)c1 ZINC001203742159 1133361884 /nfs/dbraw/zinc/36/18/84/1133361884.db2.gz GCBXQCQWYCRNOA-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN COc1cc(C)c(CN2Cc3ccccc3C2)cc1C ZINC001203751777 1133365857 /nfs/dbraw/zinc/36/58/57/1133365857.db2.gz GNIJRSMKLATDBW-UHFFFAOYSA-N 0 1 267.372 3.828 20 0 CHADMN C[C@]1(CF)CCN(Cc2cccc(Br)c2)C1 ZINC001203767057 1133367437 /nfs/dbraw/zinc/36/74/37/1133367437.db2.gz PLUBSJJFZQFWAJ-CYBMUJFWSA-N 0 1 286.188 3.631 20 0 CHADMN COc1ccc(CN2CCC[C@H](F)C2)c2ccccc12 ZINC001203992356 1133394468 /nfs/dbraw/zinc/39/44/68/1133394468.db2.gz JAPSBAXRAMQEEJ-AWEZNQCLSA-N 0 1 273.351 3.782 20 0 CHADMN COc1ccc2ccccc2c1CN1CCc2occc2C1 ZINC001203991188 1133395201 /nfs/dbraw/zinc/39/52/01/1133395201.db2.gz NAEPRWCRDCWQMS-UHFFFAOYSA-N 0 1 293.366 4.000 20 0 CHADMN Fc1ccccc1[C@H]1CCCCN1Cc1ccc[nH]1 ZINC001204010763 1133398718 /nfs/dbraw/zinc/39/87/18/1133398718.db2.gz VFVRWGXQVJUOLF-MRXNPFEDSA-N 0 1 258.340 3.881 20 0 CHADMN Cc1ccc(CN2CCC(=O)[C@@H](C)C23CCCC3)s1 ZINC001204034223 1133401710 /nfs/dbraw/zinc/40/17/10/1133401710.db2.gz DFEZZXSSUJNYRN-CYBMUJFWSA-N 0 1 277.433 3.780 20 0 CHADMN C[C@H]1CN(Cc2cccc(Cl)c2Cl)CCC[C@@H]1O ZINC001204181288 1133416756 /nfs/dbraw/zinc/41/67/56/1133416756.db2.gz LTZGCVJWYVFERG-GWCFXTLKSA-N 0 1 288.218 3.586 20 0 CHADMN CCOc1cc(CN2CC(c3ccccc3)C2)ccc1OC ZINC001204190006 1133417603 /nfs/dbraw/zinc/41/76/03/1133417603.db2.gz KGNPGLDJFQXZSN-UHFFFAOYSA-N 0 1 297.398 3.693 20 0 CHADMN Fc1ccc(CN2CCCc3ccccc3C2)c(F)c1 ZINC001204211265 1133419607 /nfs/dbraw/zinc/41/96/07/1133419607.db2.gz WNQSKTGBSXSTDD-UHFFFAOYSA-N 0 1 273.326 3.913 20 0 CHADMN Fc1ccc(F)c(CN2CCC23CCCCC3)c1 ZINC001204217551 1133420973 /nfs/dbraw/zinc/42/09/73/1133420973.db2.gz UCYXZYILPZDPNV-UHFFFAOYSA-N 0 1 251.320 3.873 20 0 CHADMN CCCCN(CCCC)Cc1nc(Br)c[nH]1 ZINC001204251394 1133423594 /nfs/dbraw/zinc/42/35/94/1133423594.db2.gz YIMUSSLWTBJFRF-UHFFFAOYSA-N 0 1 288.233 3.574 20 0 CHADMN COc1cccc(OC)c1CN1CCCc2ccccc2C1 ZINC001204252529 1133425907 /nfs/dbraw/zinc/42/59/07/1133425907.db2.gz KONMQOCLKTZAON-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN COC1(CN(C)Cc2ccc(Cl)cc2Cl)CCC1 ZINC001204271212 1133426636 /nfs/dbraw/zinc/42/66/36/1133426636.db2.gz WXKDUWUIFXMEJY-UHFFFAOYSA-N 0 1 288.218 3.994 20 0 CHADMN Fc1ccc(CN2CCC3(CCCO3)CC2)cc1Cl ZINC001204284385 1133428185 /nfs/dbraw/zinc/42/81/85/1133428185.db2.gz NHJDQELYDSKYOU-UHFFFAOYSA-N 0 1 283.774 3.624 20 0 CHADMN CCCOc1ccc(CN2CC(C)(C)OC(C)(C)C2)cc1 ZINC001204309994 1133434086 /nfs/dbraw/zinc/43/40/86/1133434086.db2.gz HGSWQRCENWJTDV-UHFFFAOYSA-N 0 1 291.435 3.865 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2cn(C)c3ccccc23)no1 ZINC001204315953 1133435336 /nfs/dbraw/zinc/43/53/36/1133435336.db2.gz XBFDFYFGPNUQOD-GOSISDBHSA-N 0 1 295.386 3.812 20 0 CHADMN CCCCCCOc1ccc(CN2CC[C@H]2COC)cc1 ZINC001204368952 1133441162 /nfs/dbraw/zinc/44/11/62/1133441162.db2.gz KYKVBDGTQLFORP-KRWDZBQOSA-N 0 1 291.435 3.866 20 0 CHADMN FC(F)(F)Oc1ccccc1CN1CCCCCC1 ZINC001204423618 1133445824 /nfs/dbraw/zinc/44/58/24/1133445824.db2.gz KUTKYQDFXGEHRX-UHFFFAOYSA-N 0 1 273.298 3.961 20 0 CHADMN CC1(C)CCCN1Cc1ccccc1OC(F)(F)F ZINC001204423372 1133446008 /nfs/dbraw/zinc/44/60/08/1133446008.db2.gz BCCVPAFYSCZIOR-UHFFFAOYSA-N 0 1 273.298 3.960 20 0 CHADMN F[C@@H]1CCCCN(Cc2cccc(OC(F)(F)F)c2)C1 ZINC001204428731 1133446540 /nfs/dbraw/zinc/44/65/40/1133446540.db2.gz NKCLBIRZOJSOBL-GFCCVEGCSA-N 0 1 291.288 3.909 20 0 CHADMN Fc1ccc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(Cl)c1 ZINC001204434050 1133447610 /nfs/dbraw/zinc/44/76/10/1133447610.db2.gz DVJVXTUYNSETRW-PHIMTYICSA-N 0 1 289.728 3.956 20 0 CHADMN CC(C)Oc1ccc(CN2CC3(C2)C[C@@H](F)CS3)cc1 ZINC001204458258 1133449958 /nfs/dbraw/zinc/44/99/58/1133449958.db2.gz ZVAHFHSKBSGKKP-CQSZACIVSA-N 0 1 295.423 3.503 20 0 CHADMN Cc1cc(CN2CC[C@H]2COCc2ccccc2)oc1C ZINC001204535684 1133459282 /nfs/dbraw/zinc/45/92/82/1133459282.db2.gz XLURUFZEZBWKEV-KRWDZBQOSA-N 0 1 285.387 3.688 20 0 CHADMN CC(C)n1nccc1CN(C)[C@@H](C)Cc1ccsc1 ZINC001204550851 1133461714 /nfs/dbraw/zinc/46/17/14/1133461714.db2.gz JCCVSDYHGRQYEX-ZDUSSCGKSA-N 0 1 277.437 3.589 20 0 CHADMN COC(=O)c1occc1C[N@H+]1CCCC[C@@H]1CCC(C)C ZINC001204640620 1133470220 /nfs/dbraw/zinc/47/02/20/1133470220.db2.gz PNHIQDBGSBVEBS-OAHLLOKOSA-N 0 1 293.407 3.857 20 0 CHADMN COC(=O)c1occc1CN1CCCC[C@@H]1CCC(C)C ZINC001204640620 1133470224 /nfs/dbraw/zinc/47/02/24/1133470224.db2.gz PNHIQDBGSBVEBS-OAHLLOKOSA-N 0 1 293.407 3.857 20 0 CHADMN FC(F)Oc1cccc(CN2CCCC[C@@H](F)C2)c1 ZINC001204818192 1133489202 /nfs/dbraw/zinc/48/92/02/1133489202.db2.gz WMAIVISJRYFDRJ-GFCCVEGCSA-N 0 1 273.298 3.612 20 0 CHADMN CN[C@H](c1nc(-c2ccc3ncccc3c2)no1)C(C)(C)C ZINC001204887946 1133495917 /nfs/dbraw/zinc/49/59/17/1133495917.db2.gz DHDKEDARVPAJMP-CQSZACIVSA-N 0 1 296.374 3.591 20 0 CHADMN CN[C@H](c1nc(-c2cccc(Cl)c2)no1)C(C)(C)C ZINC001204895463 1133497401 /nfs/dbraw/zinc/49/74/01/1133497401.db2.gz PIGBBKVHLRVZIO-LLVKDONJSA-N 0 1 279.771 3.697 20 0 CHADMN Cc1cc2cc(Nc3c(C)nc4ccc(F)cn43)cnc2[nH]1 ZINC001204910829 1133498541 /nfs/dbraw/zinc/49/85/41/1133498541.db2.gz BOLICWJFHJSMHH-UHFFFAOYSA-N 0 1 295.321 3.710 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1ccc(CO)c(C)c1C ZINC001204969808 1133510389 /nfs/dbraw/zinc/51/03/89/1133510389.db2.gz ROPIWJMNKHNUBT-UHFFFAOYSA-N 0 1 266.344 3.647 20 0 CHADMN CCCOc1ccc(CN2CC[C@H](C)[C@H](F)C2)cc1C ZINC001204977777 1133511413 /nfs/dbraw/zinc/51/14/13/1133511413.db2.gz YXLKBUMNEKNDLU-XJKSGUPXSA-N 0 1 279.399 3.964 20 0 CHADMN Cc1cccc(CN2CC[C@@](C)(F)[C@@H](F)C2)c1C ZINC001205066964 1133522270 /nfs/dbraw/zinc/52/22/70/1133522270.db2.gz JMZPRYUBTYJNAK-LSDHHAIUSA-N 0 1 253.336 3.575 20 0 CHADMN Cc1cccc(CN2CC3(C2)CC(F)(F)CS3)c1C ZINC001205095314 1133528738 /nfs/dbraw/zinc/52/87/38/1133528738.db2.gz BZWWDDVDWOYVTB-UHFFFAOYSA-N 0 1 283.387 3.630 20 0 CHADMN COc1cc(Cl)cc(-c2ccc3nc[nH]c3c2)c1 ZINC001205129450 1133534663 /nfs/dbraw/zinc/53/46/63/1133534663.db2.gz HBVUGVWRTQVWSA-UHFFFAOYSA-N 0 1 258.708 3.892 20 0 CHADMN Cc1ccc(CN2CC[C@H](OCc3ccccc3)C2)cc1F ZINC001205228493 1133547319 /nfs/dbraw/zinc/54/73/19/1133547319.db2.gz WVLZAGYMNWYVNT-SFHVURJKSA-N 0 1 299.389 3.925 20 0 CHADMN CCSCCO[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001205350453 1133568023 /nfs/dbraw/zinc/56/80/23/1133568023.db2.gz UJMIGWCFXKPNOE-HNNXBMFYSA-N 0 1 299.867 3.684 20 0 CHADMN c1cc2cc(C[N@H+]3CCOc4ccccc4C3)ccc2[nH]1 ZINC001205594587 1133592201 /nfs/dbraw/zinc/59/22/01/1133592201.db2.gz WJBPPQQIDHJRFW-UHFFFAOYSA-N 0 1 278.355 3.563 20 0 CHADMN c1cc2cc(CN3CCOc4ccccc4C3)ccc2[nH]1 ZINC001205594587 1133592205 /nfs/dbraw/zinc/59/22/05/1133592205.db2.gz WJBPPQQIDHJRFW-UHFFFAOYSA-N 0 1 278.355 3.563 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3[nH]ccc3c2)cn1 ZINC001205606512 1133593810 /nfs/dbraw/zinc/59/38/10/1133593810.db2.gz WEDGFZWSAZWSRL-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN COc1nsc(CN(C)[C@H]2CCCC[C@H]2C)c1Cl ZINC001205741248 1133609450 /nfs/dbraw/zinc/60/94/50/1133609450.db2.gz WSPUPCXDFCOCPC-ZJUUUORDSA-N 0 1 288.844 3.816 20 0 CHADMN CC(C)C1(CN(C)Cc2nc(-c3cccs3)no2)CC1 ZINC001205765715 1133611619 /nfs/dbraw/zinc/61/16/19/1133611619.db2.gz DIVNCQPCMBWLTC-UHFFFAOYSA-N 0 1 291.420 3.666 20 0 CHADMN Oc1ccc2cc(-c3cc4[nH]nnc4cc3F)ccc2c1 ZINC001205771690 1133611651 /nfs/dbraw/zinc/61/16/51/1133611651.db2.gz FPLFKMKUMFNKCJ-UHFFFAOYSA-N 0 1 279.274 3.623 20 0 CHADMN Cc1cnccc1CN1CCC[C@@H]1c1ccccc1F ZINC001205857961 1133623579 /nfs/dbraw/zinc/62/35/79/1133623579.db2.gz TWYXZGCRMCVWCI-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN CCc1ncc(CN2Cc3cc(C)ccc3CC2(C)C)cn1 ZINC001205967034 1133634612 /nfs/dbraw/zinc/63/46/12/1133634612.db2.gz HNWVJAWRTBBWDN-UHFFFAOYSA-N 0 1 295.430 3.684 20 0 CHADMN Nc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)cc1F ZINC001206049667 1133649486 /nfs/dbraw/zinc/64/94/86/1133649486.db2.gz QLUDZSABAQVSKI-QGZVFWFLSA-N 0 1 288.341 3.884 20 0 CHADMN Cc1cccc(CN2CCCc3occc3C2)c1F ZINC001206078346 1133654022 /nfs/dbraw/zinc/65/40/22/1133654022.db2.gz UNZCFSLTIXYWBN-UHFFFAOYSA-N 0 1 259.324 3.676 20 0 CHADMN Cc1nc(CN2CCC[C@@H](CCc3ccccc3)C2)co1 ZINC001206087052 1133654592 /nfs/dbraw/zinc/65/45/92/1133654592.db2.gz MRVHEUUSCQINKI-KRWDZBQOSA-N 0 1 284.403 3.828 20 0 CHADMN CCOc1ccc(CN2CC(CC)(CC)C2)cc1OC ZINC001206174948 1133667323 /nfs/dbraw/zinc/66/73/23/1133667323.db2.gz WXSGLEIVWULMET-UHFFFAOYSA-N 0 1 277.408 3.716 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1ccc(-c3cc[nH]n3)o1)CC2 ZINC001206585247 1133722281 /nfs/dbraw/zinc/72/22/81/1133722281.db2.gz MSHDYZAAGSSOGU-UHFFFAOYSA-N 0 1 293.370 3.536 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1cccnc1OC ZINC001206589089 1133723274 /nfs/dbraw/zinc/72/32/74/1133723274.db2.gz FHVNVVCECLINEX-INIZCTEOSA-N 0 1 270.376 3.673 20 0 CHADMN CC(C)Oc1cc(-c2ccc3[nH]cnc3c2)c(F)cn1 ZINC001206629644 1133729823 /nfs/dbraw/zinc/72/98/23/1133729823.db2.gz GNEXBERGUCWVOD-UHFFFAOYSA-N 0 1 271.295 3.551 20 0 CHADMN Cc1cc2[nH]cnc2cc1-c1cc(OC(C)C)ncc1F ZINC001206629486 1133729876 /nfs/dbraw/zinc/72/98/76/1133729876.db2.gz COXFTSFHNFPWIZ-UHFFFAOYSA-N 0 1 285.322 3.860 20 0 CHADMN CCc1ccc(C)nc1N[C@@H]1CC[C@@H](C)SC1 ZINC001206661044 1133730957 /nfs/dbraw/zinc/73/09/57/1133730957.db2.gz NLWCZHGMRHCLJW-DGCLKSJQSA-N 0 1 250.411 3.648 20 0 CHADMN CCO[C@@H]1C[C@@H](Nc2nc(C)ccc2CC)C12CCC2 ZINC001206661111 1133731286 /nfs/dbraw/zinc/73/12/86/1133731286.db2.gz OPGIDOZIOQSNDE-HUUCEWRRSA-N 0 1 274.408 3.712 20 0 CHADMN CC1(C)C[C@]1(C)NCc1cncc(Cl)c1Cl ZINC001206742172 1133738668 /nfs/dbraw/zinc/73/86/68/1133738668.db2.gz KPLDPBSDBXCEMM-LBPRGKRZSA-N 0 1 259.180 3.667 20 0 CHADMN Cc1sc(CN2CC[C@H]3C[C@H]3C2)cc1Br ZINC001206753668 1133741846 /nfs/dbraw/zinc/74/18/46/1133741846.db2.gz NYPQPFPODSXMBT-UWVGGRQHSA-N 0 1 286.238 3.661 20 0 CHADMN Oc1cc(F)c(-c2cc3ccccc3cn2)cc1F ZINC001206755552 1133741867 /nfs/dbraw/zinc/74/18/67/1133741867.db2.gz MNJLAPDYFMYKHI-UHFFFAOYSA-N 0 1 257.239 3.886 20 0 CHADMN Cc1nc2cc(F)ccc2c(-c2cc(F)c(O)cc2F)n1 ZINC001206756285 1133742450 /nfs/dbraw/zinc/74/24/50/1133742450.db2.gz ZQIZZNVTJRCRLY-UHFFFAOYSA-N 0 1 290.244 3.728 20 0 CHADMN Oc1cc(F)c(-c2cc(C(F)(F)F)ccn2)cc1F ZINC001206756010 1133742700 /nfs/dbraw/zinc/74/27/00/1133742700.db2.gz UGEGBTPKWPRUQZ-UHFFFAOYSA-N 0 1 275.176 3.751 20 0 CHADMN Oc1cc(F)c(-c2nccc3c4c([nH]c32)CCC4)cc1F ZINC001206776005 1133747263 /nfs/dbraw/zinc/74/72/63/1133747263.db2.gz VJSKIXOYBBLPRH-UHFFFAOYSA-N 0 1 286.281 3.702 20 0 CHADMN COc1cccc2c1ccnc2-c1cc(F)c(O)cc1F ZINC001206775687 1133747412 /nfs/dbraw/zinc/74/74/12/1133747412.db2.gz GOWVJYGHEUVHPH-UHFFFAOYSA-N 0 1 287.265 3.894 20 0 CHADMN CSCc1ccnc(-c2cc(F)c(O)cc2F)c1 ZINC001206776067 1133747420 /nfs/dbraw/zinc/74/74/20/1133747420.db2.gz YULMMXDIDFJHBN-UHFFFAOYSA-N 0 1 267.300 3.595 20 0 CHADMN COc1cc(C)ccc1CN1CCc2cc(C)ccc2C1 ZINC001206781597 1133748270 /nfs/dbraw/zinc/74/82/70/1133748270.db2.gz BVADDCIUEIDGGP-UHFFFAOYSA-N 0 1 281.399 3.870 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1ccncc1F ZINC001206788897 1133748621 /nfs/dbraw/zinc/74/86/21/1133748621.db2.gz IVLICIFLNPYMQZ-INIZCTEOSA-N 0 1 258.340 3.804 20 0 CHADMN C[C@@]1(CF)CCN(Cc2cc(-c3ccc(F)cc3)on2)C1 ZINC001206831862 1133754030 /nfs/dbraw/zinc/75/40/30/1133754030.db2.gz SMLUHLDAILMERH-INIZCTEOSA-N 0 1 292.329 3.662 20 0 CHADMN Fc1ccc(-c2cc(CN3CCCCCC3)no2)cc1 ZINC001206830532 1133754523 /nfs/dbraw/zinc/75/45/23/1133754523.db2.gz ADIOJZFPSCZKFL-UHFFFAOYSA-N 0 1 274.339 3.857 20 0 CHADMN CN(Cc1cc(-c2ccc(F)cc2)on1)C[C@@H]1CC1(C)C ZINC001206836737 1133754591 /nfs/dbraw/zinc/75/45/91/1133754591.db2.gz QSVGFLNEFMIHDA-ZDUSSCGKSA-N 0 1 288.366 3.959 20 0 CHADMN c1c(CN2CCC3(CC3)CC2)noc1-c1ccccc1 ZINC001206842992 1133754731 /nfs/dbraw/zinc/75/47/31/1133754731.db2.gz RLXLALLYXQJRHV-UHFFFAOYSA-N 0 1 268.360 3.718 20 0 CHADMN c1c(CN2CCC3(CCC3)C2)noc1-c1ccccc1 ZINC001206846560 1133755787 /nfs/dbraw/zinc/75/57/87/1133755787.db2.gz RXCSXXBUOOFZCN-UHFFFAOYSA-N 0 1 268.360 3.718 20 0 CHADMN CCN(Cc1ccc(C)c(C)c1)Cc1cncc(OC)c1 ZINC001206997666 1133758221 /nfs/dbraw/zinc/75/82/21/1133758221.db2.gz JDXARSIDGTVBEK-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN CCN(Cc1scnc1C)Cc1ccc(F)cc1 ZINC001206987685 1133758379 /nfs/dbraw/zinc/75/83/79/1133758379.db2.gz TYNCWCOGBSRKRS-UHFFFAOYSA-N 0 1 264.369 3.613 20 0 CHADMN C[N@@H+](Cc1ncccc1F)C(C)(C)Cc1ccccc1 ZINC001207035296 1133761789 /nfs/dbraw/zinc/76/17/89/1133761789.db2.gz JNFSQXFGLRNOKZ-UHFFFAOYSA-N 0 1 272.367 3.674 20 0 CHADMN C[C@@H]1C[C@H]1C[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC001207044414 1133761866 /nfs/dbraw/zinc/76/18/66/1133761866.db2.gz NAIHNCWPUAEPTB-PWSUYJOCSA-N 0 1 269.310 3.720 20 0 CHADMN CCCCC1CCN(Cc2ccc(F)cn2)CC1 ZINC001207038169 1133762157 /nfs/dbraw/zinc/76/21/57/1133762157.db2.gz IBWZXCHOYVYDBP-UHFFFAOYSA-N 0 1 250.361 3.623 20 0 CHADMN Fc1cnc(CN2CC[C@@H](C3CCCCC3)C2)c(F)c1 ZINC001207099014 1133767350 /nfs/dbraw/zinc/76/73/50/1133767350.db2.gz LZWFUHZXFQFHTP-CYBMUJFWSA-N 0 1 280.362 3.762 20 0 CHADMN Cc1cccc(CN(Cc2ccnc(C)n2)C2CC2)c1C ZINC001207170706 1133773858 /nfs/dbraw/zinc/77/38/58/1133773858.db2.gz WRWUCEUFUFYJGF-UHFFFAOYSA-N 0 1 281.403 3.566 20 0 CHADMN CC1=CC[C@H](CC[N@H+]2CCc3cnccc3C2)C1(C)C ZINC001207269369 1133784287 /nfs/dbraw/zinc/78/42/87/1133784287.db2.gz RBRAWLWLUJGMFF-QGZVFWFLSA-N 0 1 270.420 3.822 20 0 CHADMN C[N@@H+](Cc1cn2ccnc2s1)Cc1ccc2cc[nH]c2c1 ZINC001207261523 1133784409 /nfs/dbraw/zinc/78/44/09/1133784409.db2.gz RGSNYDXSGBCENS-UHFFFAOYSA-N 0 1 296.399 3.509 20 0 CHADMN CN(Cc1cn2ccnc2s1)Cc1ccc2cc[nH]c2c1 ZINC001207261523 1133784415 /nfs/dbraw/zinc/78/44/15/1133784415.db2.gz RGSNYDXSGBCENS-UHFFFAOYSA-N 0 1 296.399 3.509 20 0 CHADMN COc1nc(CN2Cc3ccccc3[C@@H](C)C2)ccc1C ZINC001207449428 1133802673 /nfs/dbraw/zinc/80/26/73/1133802673.db2.gz ZMHPPPMSVSOLIN-AWEZNQCLSA-N 0 1 282.387 3.518 20 0 CHADMN COc1ccc(CCCN2Cc3cccc(OC)c3C2)cc1 ZINC001207584727 1133822040 /nfs/dbraw/zinc/82/20/40/1133822040.db2.gz HARQDICWJFPQSO-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN C[C@@H](CCCC(C)(C)O)CCN1CCC(F)(F)[C@@H](F)C1 ZINC001207637055 1133835737 /nfs/dbraw/zinc/83/57/37/1133835737.db2.gz NVLOGPHNURBQOU-STQMWFEESA-N 0 1 295.389 3.633 20 0 CHADMN Fc1ccc2c(c1)CN(CC1(c3ccccc3)CC1)C2 ZINC001207838599 1133850661 /nfs/dbraw/zinc/85/06/61/1133850661.db2.gz LETLLFSXHIXTCN-UHFFFAOYSA-N 0 1 267.347 3.873 20 0 CHADMN F[C@H]1CN(CC2(c3ccccc3)CC2)CCCC1(F)F ZINC001207832919 1133851740 /nfs/dbraw/zinc/85/17/40/1133851740.db2.gz GPJMMFZVJZXZEG-AWEZNQCLSA-N 0 1 283.337 3.787 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(C)ccc2OC)cc1 ZINC000088218650 1133856049 /nfs/dbraw/zinc/85/60/49/1133856049.db2.gz ALNWAGUNAKTZQV-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN CC(C)c1ccc(C[C@@H](C)CN2CCC(=O)[C@@H](C)C2)cc1 ZINC001207931827 1133864254 /nfs/dbraw/zinc/86/42/54/1133864254.db2.gz KAULUCIVUFCCGI-CVEARBPZSA-N 0 1 287.447 3.900 20 0 CHADMN Fc1ccc(F)c([C@H]2CCCN2C[C@H]2CCCCO2)c1 ZINC001207957748 1133871412 /nfs/dbraw/zinc/87/14/12/1133871412.db2.gz YVXOUAYFMUMQBA-CZUORRHYSA-N 0 1 281.346 3.671 20 0 CHADMN Cc1cnc(N2CCN(CCCC3CCCC3)CC2)s1 ZINC001208091645 1133875721 /nfs/dbraw/zinc/87/57/21/1133875721.db2.gz PMBZWOZCXPDTRB-UHFFFAOYSA-N 0 1 293.480 3.544 20 0 CHADMN CSc1ncc2c(n1)CN(CCCC1CCCC1)CC2 ZINC001208094261 1133877816 /nfs/dbraw/zinc/87/78/16/1133877816.db2.gz HKOQGYMFJILZTE-UHFFFAOYSA-N 0 1 291.464 3.527 20 0 CHADMN Cc1ccc([C@@H](C)CCN2CCc3nc(C)sc3C2)o1 ZINC001208154205 1133888745 /nfs/dbraw/zinc/88/87/45/1133888745.db2.gz DWWQVPHTMOMOCA-NSHDSACASA-N 0 1 290.432 3.905 20 0 CHADMN CC1=C[C@H](C)[C@H](CN(C)Cc2nccs2)CC1 ZINC001208179956 1133900420 /nfs/dbraw/zinc/90/04/20/1133900420.db2.gz COBMCTZPUDYHAC-STQMWFEESA-N 0 1 250.411 3.567 20 0 CHADMN C[C@H](CCN1CC2(C1)CCCCO2)CC(C)(C)C ZINC001208656373 1133921964 /nfs/dbraw/zinc/92/19/64/1133921964.db2.gz VRTWLYAPDNXFTL-CQSZACIVSA-N 0 1 253.430 3.704 20 0 CHADMN CCN(C[C@H](C)c1cccc2ccccc21)[C@@H](C)C(=O)OC ZINC001208713504 1133933993 /nfs/dbraw/zinc/93/39/93/1133933993.db2.gz YZEMNYPMWLNVSM-GJZGRUSLSA-N 0 1 299.414 3.827 20 0 CHADMN CC/C=C\CCN1CCO[C@@](C)(c2ccc(C)cc2)C1 ZINC001208730155 1133937837 /nfs/dbraw/zinc/93/78/37/1133937837.db2.gz RAZOECMUTHQOFL-OOFWQKGWSA-N 0 1 273.420 3.899 20 0 CHADMN CC(C)CCCN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001208736456 1133938826 /nfs/dbraw/zinc/93/88/26/1133938826.db2.gz GVGNYKAPYFVZPW-LBPRGKRZSA-N 0 1 275.318 3.779 20 0 CHADMN O=C1CCN(CCCc2ccc(F)cc2)[C@H]2CCCC[C@@H]12 ZINC001208767957 1133941419 /nfs/dbraw/zinc/94/14/19/1133941419.db2.gz ORWJUXGXLSXKQH-SJORKVTESA-N 0 1 289.394 3.592 20 0 CHADMN C[C@H]1c2cccn2CCN1CCCc1ccc(F)cc1 ZINC001208771203 1133941882 /nfs/dbraw/zinc/94/18/82/1133941882.db2.gz SLOVOTPVIJYGCS-AWEZNQCLSA-N 0 1 272.367 3.637 20 0 CHADMN C[C@@H]1CC(=O)CCN1CC1(c2ccccc2)CCCC1 ZINC001208771716 1133943176 /nfs/dbraw/zinc/94/31/76/1133943176.db2.gz HJJVWPVKQWWJQD-OAHLLOKOSA-N 0 1 271.404 3.552 20 0 CHADMN C[NH+]1CCC(=Nc2c(Cl)cc(Cl)nc2Cl)CC1 ZINC001208803459 1133947320 /nfs/dbraw/zinc/94/73/20/1133947320.db2.gz WVPWVNLNEGMBNK-UHFFFAOYSA-N 0 1 292.597 3.673 20 0 CHADMN CN1CC=C(Nc2c(Cl)cc(Cl)nc2Cl)CC1 ZINC001208803459 1133947326 /nfs/dbraw/zinc/94/73/26/1133947326.db2.gz WVPWVNLNEGMBNK-UHFFFAOYSA-N 0 1 292.597 3.673 20 0 CHADMN Fc1ccc([C@H]2CSCCN2C[C@@H]2CCC=CO2)cc1 ZINC001208880542 1133956114 /nfs/dbraw/zinc/95/61/14/1133956114.db2.gz NIMQAYFKDYOIHQ-JKSUJKDBSA-N 0 1 293.407 3.608 20 0 CHADMN CCOc1cccnc1NC1=CCN(c2ccccc2)CC1 ZINC001209000358 1133968873 /nfs/dbraw/zinc/96/88/73/1133968873.db2.gz DNONPYHSAXOANW-UHFFFAOYSA-N 0 1 295.386 3.686 20 0 CHADMN C[C@@H]1CN(CCc2ccc(C(F)(F)F)cc2)CCCC1=O ZINC001209123853 1133979760 /nfs/dbraw/zinc/97/97/60/1133979760.db2.gz KKPLPXRURVRXLC-GFCCVEGCSA-N 0 1 299.336 3.549 20 0 CHADMN CC1(C)CN(CCCCCc2ccccc2)CCC1=O ZINC001209235272 1133995146 /nfs/dbraw/zinc/99/51/46/1133995146.db2.gz NFAHYYUWLLVGPZ-UHFFFAOYSA-N 0 1 273.420 3.700 20 0 CHADMN CCC[C@@H](C(=O)c1ccccc1)N(C)CCC(C)(C)OC ZINC001209409502 1134012983 /nfs/dbraw/zinc/01/29/83/1134012983.db2.gz JXTPROREOREZMT-INIZCTEOSA-N 0 1 291.435 3.785 20 0 CHADMN Cc1cccc2c(CN3CCC[C@H]3c3cnccn3)c[nH]c21 ZINC001209487884 1134028675 /nfs/dbraw/zinc/02/86/75/1134028675.db2.gz RNQGHPSCFGSLBR-KRWDZBQOSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1ccc2[nH]cc(CN3CC4(C3)C[C@H](F)CS4)c2c1 ZINC001209494810 1134031027 /nfs/dbraw/zinc/03/10/27/1134031027.db2.gz PALBWZUAVMTPII-ZDUSSCGKSA-N 0 1 290.407 3.506 20 0 CHADMN CCCCC1CCN(Cc2cc(F)c(O)c(OC)c2)CC1 ZINC001209528082 1134033612 /nfs/dbraw/zinc/03/36/12/1134033612.db2.gz VFKYMFPHOGDWEH-UHFFFAOYSA-N 0 1 295.398 3.942 20 0 CHADMN Cc1cccc(CN(Cc2cncs2)C2CC2)c1C ZINC001209554058 1134036177 /nfs/dbraw/zinc/03/61/77/1134036177.db2.gz UXTKDOJMQCGDTN-UHFFFAOYSA-N 0 1 272.417 3.925 20 0 CHADMN COc1cccc([C@H]2CCCCN2Cc2cncs2)c1 ZINC001209550112 1134036194 /nfs/dbraw/zinc/03/61/94/1134036194.db2.gz LGUOJDJLSVSGCT-MRXNPFEDSA-N 0 1 288.416 3.879 20 0 CHADMN Cc1nc2ccccn2c1CN(C)Cc1ccc(C)c(C)c1 ZINC001209651536 1134047223 /nfs/dbraw/zinc/04/72/23/1134047223.db2.gz MUMFVSSGDSWUCB-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN CC(=O)[C@H]1CCCN(Cc2cc3cc(Cl)ccc3[nH]2)C1 ZINC001209721920 1134054078 /nfs/dbraw/zinc/05/40/78/1134054078.db2.gz UKHISHXRCQZSDO-LBPRGKRZSA-N 0 1 290.794 3.622 20 0 CHADMN CC(=O)[C@@H]1CCCN(Cc2cc3cc(Cl)ccc3[nH]2)C1 ZINC001209721919 1134054399 /nfs/dbraw/zinc/05/43/99/1134054399.db2.gz UKHISHXRCQZSDO-GFCCVEGCSA-N 0 1 290.794 3.622 20 0 CHADMN Clc1ccc2[nH]c(CN3CCC[C@@H]4C[C@@H]43)cc2c1 ZINC001209727138 1134056125 /nfs/dbraw/zinc/05/61/25/1134056125.db2.gz WVBJLOJPJSRFQU-BMIGLBTASA-N 0 1 260.768 3.806 20 0 CHADMN CN(Cc1cn(C)c2ncccc12)Cc1ccccc1Cl ZINC001209749471 1134056622 /nfs/dbraw/zinc/05/66/22/1134056622.db2.gz YUVZHXHSXJZIAH-UHFFFAOYSA-N 0 1 299.805 3.859 20 0 CHADMN F[C@@H]1CCCCN(Cc2[nH]nc3ccc(Cl)cc32)C1 ZINC001209751194 1134059009 /nfs/dbraw/zinc/05/90/09/1134059009.db2.gz NFEVFEJOEZRIMJ-LLVKDONJSA-N 0 1 281.762 3.540 20 0 CHADMN COc1ccc2oc(CN3CCc4ccccc4C3)cc2c1 ZINC001209766617 1134062202 /nfs/dbraw/zinc/06/22/02/1134062202.db2.gz LBSYVWWEUPLUEK-UHFFFAOYSA-N 0 1 293.366 4.000 20 0 CHADMN COc1ccc(C)c(Nc2c(C)nc3ccc(F)cn32)c1 ZINC001209840282 1134076834 /nfs/dbraw/zinc/07/68/34/1134076834.db2.gz KDBKKVRDSBOQOP-UHFFFAOYSA-N 0 1 285.322 3.842 20 0 CHADMN Cc1nc(Cl)ccc1Nc1ccc2nc[nH]c2c1 ZINC001209843537 1134078092 /nfs/dbraw/zinc/07/80/92/1134078092.db2.gz ZSSFMIVWMVBBQI-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN c1nc2ccc(Nc3cc(-c4ccccc4)no3)cc2[nH]1 ZINC001209841576 1134078422 /nfs/dbraw/zinc/07/84/22/1134078422.db2.gz VZAZQIXVUNTULL-UHFFFAOYSA-N 0 1 276.299 3.962 20 0 CHADMN COc1ccc(Nc2ccc3nc[nH]c3c2)cc1C ZINC001209847447 1134080185 /nfs/dbraw/zinc/08/01/85/1134080185.db2.gz AXVVNAXBNQXDQH-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cn1cc(-c2ccc(Nc3ccc4nc[nH]c4c3)cc2)cn1 ZINC001209848025 1134080869 /nfs/dbraw/zinc/08/08/69/1134080869.db2.gz GYGGUUWAPRDNIK-UHFFFAOYSA-N 0 1 289.342 3.707 20 0 CHADMN CP(C)(=O)c1ccccc1Nc1ccc2nc[nH]c2c1 ZINC001209847648 1134081344 /nfs/dbraw/zinc/08/13/44/1134081344.db2.gz CXGIODIMTZXWNA-UHFFFAOYSA-N 0 1 285.287 3.555 20 0 CHADMN Oc1cc(Cl)ccc1Nc1ccc2nc[nH]c2c1 ZINC001209846607 1134081927 /nfs/dbraw/zinc/08/19/27/1134081927.db2.gz HMFYSBGRCTXILR-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN c1nc2ccc(Nc3cncc(-c4ccccn4)c3)cc2[nH]1 ZINC001209847968 1134082039 /nfs/dbraw/zinc/08/20/39/1134082039.db2.gz GSXVSAZURMAGIY-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN Nc1cc(Nc2ccc3nc[nH]c3c2)cc(C(F)(F)F)c1 ZINC001209846462 1134082124 /nfs/dbraw/zinc/08/21/24/1134082124.db2.gz CJSABLJBRRBWSB-UHFFFAOYSA-N 0 1 292.264 3.908 20 0 CHADMN CC(C)c1cccnc1Nc1ccc2nc[nH]c2c1 ZINC001209848825 1134082785 /nfs/dbraw/zinc/08/27/85/1134082785.db2.gz RTQHFYWUCRVCCG-UHFFFAOYSA-N 0 1 252.321 3.825 20 0 CHADMN c1nc2ccc(Nc3cccc4c3OCCC4)cc2[nH]1 ZINC001209849330 1134083543 /nfs/dbraw/zinc/08/35/43/1134083543.db2.gz XDKXWYCKPZVYIO-UHFFFAOYSA-N 0 1 265.316 3.632 20 0 CHADMN COc1cccc2cc(Nc3ccc4nc[nH]c4c3)cnc21 ZINC001209849422 1134083842 /nfs/dbraw/zinc/08/38/42/1134083842.db2.gz YQQQDCSWQGCCGX-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN Cc1c(F)ccc(Nc2ccc3nc[nH]c3c2)c1F ZINC001209848985 1134083891 /nfs/dbraw/zinc/08/38/91/1134083891.db2.gz RBSUAQGKROLTMT-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN COc1cc(C)c(Nc2ccc3nc[nH]c3c2)c(C)c1 ZINC001209848972 1134084724 /nfs/dbraw/zinc/08/47/24/1134084724.db2.gz QSZAOEWLSZTXEZ-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN O=C(c1ccc(Nc2ccc3nc[nH]c3c2)cc1)C1CC1 ZINC001209850232 1134085495 /nfs/dbraw/zinc/08/54/95/1134085495.db2.gz IIHHVGJYQZNSTH-UHFFFAOYSA-N 0 1 277.327 3.899 20 0 CHADMN CCc1nccc(C)c1Nc1ccc2nc[nH]c2c1 ZINC001209849054 1134085638 /nfs/dbraw/zinc/08/56/38/1134085638.db2.gz UGSGYOUQEIVEAX-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN Cc1cc(=O)c2ccc(Nc3ccc4nc[nH]c4c3)cc2o1 ZINC001209851991 1134087134 /nfs/dbraw/zinc/08/71/34/1134087134.db2.gz PXTIEIJTEUCFPJ-UHFFFAOYSA-N 0 1 291.310 3.721 20 0 CHADMN COc1ccc(-n2c(N)nc3ccccc32)c2ccccc12 ZINC001209923247 1134102643 /nfs/dbraw/zinc/10/26/43/1134102643.db2.gz FEOKLLQWIJZFKE-UHFFFAOYSA-N 0 1 289.338 3.770 20 0 CHADMN Cc1cc(N)ncc1Nc1ccsc1Br ZINC001209966059 1134111357 /nfs/dbraw/zinc/11/13/57/1134111357.db2.gz QKTGKHHPKZIMPR-UHFFFAOYSA-N 0 1 284.182 3.540 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(Br)cc1F ZINC001209966478 1134111102 /nfs/dbraw/zinc/11/11/02/1134111102.db2.gz BPQJFFBGMJMXJH-UHFFFAOYSA-N 0 1 296.143 3.617 20 0 CHADMN Cc1cc(N)ncc1Nc1cnc2cc(F)c(F)cc2c1 ZINC001209967871 1134111187 /nfs/dbraw/zinc/11/11/87/1134111187.db2.gz UBSDPPFPJLGPFB-UHFFFAOYSA-N 0 1 286.285 3.542 20 0 CHADMN Cc1cc(N)ncc1Nc1cnccc1-c1ccccc1 ZINC001209966573 1134111322 /nfs/dbraw/zinc/11/13/22/1134111322.db2.gz ANENWNTTYGCAMD-UHFFFAOYSA-N 0 1 276.343 3.778 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(-c2cccc(F)c2)ccn1 ZINC001209967449 1134111468 /nfs/dbraw/zinc/11/14/68/1134111468.db2.gz JXRMUFVNCWJBTN-UHFFFAOYSA-N 0 1 294.333 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(F)cc1Cl ZINC001209966467 1134111698 /nfs/dbraw/zinc/11/16/98/1134111698.db2.gz BAKLUFNCTNKJKE-UHFFFAOYSA-N 0 1 251.692 3.508 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(Cl)c(Cl)cc1N ZINC001209968781 1134112350 /nfs/dbraw/zinc/11/23/50/1134112350.db2.gz BPTGYTSRMACNHD-UHFFFAOYSA-N 0 1 283.162 3.605 20 0 CHADMN Cc1cc(N)ncc1Nc1c(O)ccc2ccccc21 ZINC001209969156 1134112676 /nfs/dbraw/zinc/11/26/76/1134112676.db2.gz GNVVVHOSOACKGM-UHFFFAOYSA-N 0 1 265.316 3.575 20 0 CHADMN Cc1cc(N)ncc1Nc1c(F)cc(Cl)cc1F ZINC001209969240 1134112923 /nfs/dbraw/zinc/11/29/23/1134112923.db2.gz JAJBUSMUBPTMHT-UHFFFAOYSA-N 0 1 269.682 3.647 20 0 CHADMN CCCCOC(=O)c1ccc(Nc2cnc(N)cc2C)cc1 ZINC001209970083 1134112944 /nfs/dbraw/zinc/11/29/44/1134112944.db2.gz UAQTVBQVWUHEPL-UHFFFAOYSA-N 0 1 299.374 3.673 20 0 CHADMN COc1ccc(C(C)=O)cc1Nc1ccccc1CN(C)C ZINC001210080686 1134142813 /nfs/dbraw/zinc/14/28/13/1134142813.db2.gz ZJGHRTZFZBGKDM-UHFFFAOYSA-N 0 1 298.386 3.703 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1c(Cl)cnnc1Cl ZINC001210101251 1134145336 /nfs/dbraw/zinc/14/53/36/1134145336.db2.gz FSKWTXODYJIORR-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN COc1cc(C)cc(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210101808 1134145502 /nfs/dbraw/zinc/14/55/02/1134145502.db2.gz GBOXSDBXZUHTHW-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(CC(C)C)no1 ZINC001210100484 1134145729 /nfs/dbraw/zinc/14/57/29/1134145729.db2.gz WKSAKXMVPNLJON-UHFFFAOYSA-N 0 1 270.336 3.801 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2c(c1)CCO2 ZINC001210104842 1134147766 /nfs/dbraw/zinc/14/77/66/1134147766.db2.gz FERQIXAZQTXTFR-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(O)c(C)c1 ZINC001210103704 1134148071 /nfs/dbraw/zinc/14/80/71/1134148071.db2.gz ZTTJQSRFPXRDLK-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COc1cc(C(C)=O)ccc1Nc1cc2cn[nH]c2cc1C ZINC001210103624 1134148222 /nfs/dbraw/zinc/14/82/22/1134148222.db2.gz YJMSOOUKPJRULF-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2snnc21 ZINC001210107358 1134149381 /nfs/dbraw/zinc/14/93/81/1134149381.db2.gz ZMODIMSCYNRCJS-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1cc(Nc2ccc3ncncc3c2)c2ccccc2n1 ZINC001210454299 1134217817 /nfs/dbraw/zinc/21/78/17/1134217817.db2.gz RGUUNPYVVHSRBZ-UHFFFAOYSA-N 0 1 286.338 3.652 20 0 CHADMN Cc1ccc(-n2c(N)nc3ccccc32)c(C(F)(F)F)c1 ZINC001210523687 1134239083 /nfs/dbraw/zinc/23/90/83/1134239083.db2.gz FDQYOQNVCQVMGR-UHFFFAOYSA-N 0 1 291.276 3.935 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc([C@@H](C)O)cc1 ZINC001210644782 1134267503 /nfs/dbraw/zinc/26/75/03/1134267503.db2.gz AWURLLRTDUCDJM-LLVKDONJSA-N 0 1 285.322 3.579 20 0 CHADMN Cc1ccc(Nc2ccnc(CO)c2)cc1C(F)(F)F ZINC001210684912 1134274809 /nfs/dbraw/zinc/27/48/09/1134274809.db2.gz XITKVSWUNPDCFS-UHFFFAOYSA-N 0 1 282.265 3.645 20 0 CHADMN c1cc(Nc2cccc(OC3CC3)c2)n(-c2ccncc2)n1 ZINC001210860847 1134315532 /nfs/dbraw/zinc/31/55/32/1134315532.db2.gz DMCGNHDKDFEEHB-UHFFFAOYSA-N 0 1 292.342 3.552 20 0 CHADMN COc1cc(Nc2cccc(OC3CC3)c2)ncc1C ZINC001210860910 1134315556 /nfs/dbraw/zinc/31/55/56/1134315556.db2.gz HCBUJHOHAXHZFE-UHFFFAOYSA-N 0 1 270.332 3.683 20 0 CHADMN Nc1cc(F)cnc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210924658 1134328893 /nfs/dbraw/zinc/32/88/93/1134328893.db2.gz QJXGRQSAIRYDKQ-UHFFFAOYSA-N 0 1 288.109 3.559 20 0 CHADMN Nc1ccc(O)c(Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC001210928618 1134329091 /nfs/dbraw/zinc/32/90/91/1134329091.db2.gz DQQZEXOQXDGBHA-UHFFFAOYSA-N 0 1 285.130 3.730 20 0 CHADMN CC(=Nc1ccc2nc(C(C)C)nn2c1)c1ccccc1 ZINC001210985836 1134342423 /nfs/dbraw/zinc/34/24/23/1134342423.db2.gz YYWJFCKAUAEYOX-UHFFFAOYSA-N 0 1 278.359 3.936 20 0 CHADMN CC(=Nc1ccc2c(c1)C(C)(C)CNC2=O)c1ccccc1 ZINC001210986815 1134343007 /nfs/dbraw/zinc/34/30/07/1134343007.db2.gz DXOGNTLGSSCSAB-UHFFFAOYSA-N 0 1 292.382 3.790 20 0 CHADMN C=C(Nc1cc(C(N)=O)ccc1Cl)c1ccccc1 ZINC001210989592 1134343538 /nfs/dbraw/zinc/34/35/38/1134343538.db2.gz RTYDWZYNHSDRSX-UHFFFAOYSA-N 0 1 272.735 3.522 20 0 CHADMN CC(=Nc1ccc2c(cc[nH]c2=O)c1)c1ccccc1 ZINC001210987642 1134344170 /nfs/dbraw/zinc/34/41/70/1134344170.db2.gz QQCDKOTXGLOHOA-UHFFFAOYSA-N 0 1 262.312 3.611 20 0 CHADMN O=c1cc(Nc2cncc(-c3ccccc3)c2)nc(Cl)[nH]1 ZINC001211021555 1134350971 /nfs/dbraw/zinc/35/09/71/1134350971.db2.gz DFBJFEAQOHYQGF-UHFFFAOYSA-N 0 1 298.733 3.641 20 0 CHADMN Cn1cncc1Nc1ccc(C2(C(F)(F)F)CC2)cc1 ZINC001211249423 1134398834 /nfs/dbraw/zinc/39/88/34/1134398834.db2.gz QFSWRNRHUQCSMU-UHFFFAOYSA-N 0 1 281.281 3.758 20 0 CHADMN Cc1cc(Br)cc(C)c1Nc1cncn1C ZINC001211249167 1134398886 /nfs/dbraw/zinc/39/88/86/1134398886.db2.gz ZGKJTBGWLWDPQW-UHFFFAOYSA-N 0 1 280.169 3.543 20 0 CHADMN COc1ccc(Nc2cncn2C)cc1-c1ccccc1 ZINC001211250645 1134399359 /nfs/dbraw/zinc/39/93/59/1134399359.db2.gz PUNBKXYCXLNNLE-UHFFFAOYSA-N 0 1 279.343 3.839 20 0 CHADMN Cc1cc(Oc2ccc(Nc3cncn3C)cc2)ccn1 ZINC001211251315 1134400075 /nfs/dbraw/zinc/40/00/75/1134400075.db2.gz DUOWIXJMSMIZIT-UHFFFAOYSA-N 0 1 280.331 3.659 20 0 CHADMN Cn1cncc1Nc1cc(C2CCCCC2)ccc1O ZINC001211254223 1134400232 /nfs/dbraw/zinc/40/02/32/1134400232.db2.gz RKDWZSXXNVXHCA-UHFFFAOYSA-N 0 1 271.364 3.917 20 0 CHADMN CC(C)(C)OC(=O)N1CC=C(Nc2c(F)cccc2F)C1 ZINC001211313299 1134409141 /nfs/dbraw/zinc/40/91/41/1134409141.db2.gz KIZQYCRCNWZXFQ-UHFFFAOYSA-N 0 1 296.317 3.511 20 0 CHADMN Oc1cc(F)c(-c2cccnc2C(F)(F)F)cc1F ZINC001211338406 1134410096 /nfs/dbraw/zinc/41/00/96/1134410096.db2.gz FEQMOSSSCNEMRE-UHFFFAOYSA-N 0 1 275.176 3.751 20 0 CHADMN CC(C)Oc1ncccc1-c1cc(F)c(O)cc1F ZINC001211352718 1134411211 /nfs/dbraw/zinc/41/12/11/1134411211.db2.gz NZJWZTKVZZPVAQ-UHFFFAOYSA-N 0 1 265.259 3.520 20 0 CHADMN Cc1nc2cc(Nc3ccc(C4OCCO4)cc3)ccc2[nH]1 ZINC001213074170 1134420282 /nfs/dbraw/zinc/42/02/82/1134420282.db2.gz HEHZPNORWLPBJF-UHFFFAOYSA-N 0 1 295.342 3.660 20 0 CHADMN COc1cc(C(C)=O)ccc1Nc1ccc2[nH]c(C)nc2c1 ZINC001213074068 1134420492 /nfs/dbraw/zinc/42/04/92/1134420492.db2.gz BCQOYVJTFNRMFX-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN COC(=O)c1cccc(F)c1Nc1ccc2nc(C)[nH]c2c1 ZINC001213074523 1134421127 /nfs/dbraw/zinc/42/11/27/1134421127.db2.gz YZPWVLNXPBVSGS-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1nc2cc(Nc3cccc4cn(C)nc43)ccc2[nH]1 ZINC001213074346 1134421497 /nfs/dbraw/zinc/42/14/97/1134421497.db2.gz QBAXFQJWOUNXOL-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1nc2cc(Nc3ccccc3C(C)(C)O)ccc2[nH]1 ZINC001213074080 1134421640 /nfs/dbraw/zinc/42/16/40/1134421640.db2.gz BOGPSXHTOQKUQD-UHFFFAOYSA-N 0 1 281.359 3.842 20 0 CHADMN Cc1nc2cc(Nc3ccc4c(C)nn(C)c4c3)ccc2[nH]1 ZINC001213075231 1134422475 /nfs/dbraw/zinc/42/24/75/1134422475.db2.gz KFYLGMXCSJKWHY-UHFFFAOYSA-N 0 1 291.358 3.810 20 0 CHADMN CC(=O)c1ccc(F)cc1Nc1ccc2[nH]c(C)nc2c1 ZINC001213076419 1134422665 /nfs/dbraw/zinc/42/26/65/1134422665.db2.gz QMJKMDXPMZBXHQ-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN COc1c(F)ccc(Nc2ccc3[nH]c(C)nc3c2)c1F ZINC001213075637 1134423697 /nfs/dbraw/zinc/42/36/97/1134423697.db2.gz XSVZLDUJYGHBFU-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN COc1c(F)ccc(Nc2ccc3nc(C)[nH]c3c2)c1F ZINC001213075637 1134423699 /nfs/dbraw/zinc/42/36/99/1134423699.db2.gz XSVZLDUJYGHBFU-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1ccc(O)c(Nc2ccnc(C(C)(C)C)c2)n1 ZINC001213163086 1134433235 /nfs/dbraw/zinc/43/32/35/1134433235.db2.gz URWONCKTUAMFPO-UHFFFAOYSA-N 0 1 257.337 3.532 20 0 CHADMN Cc1cc(C2CC2)cc(F)c1-n1c(N)nc2ccccc21 ZINC001213464296 1134451011 /nfs/dbraw/zinc/45/10/11/1134451011.db2.gz GWCVYXHMLKSZET-UHFFFAOYSA-N 0 1 281.334 3.933 20 0 CHADMN Cc1ncc(C2CC2)cc1Nc1nnc(C(C)(C)C)o1 ZINC001213489949 1134453824 /nfs/dbraw/zinc/45/38/24/1134453824.db2.gz XKAYJVUROVYWFN-UHFFFAOYSA-N 0 1 272.352 3.692 20 0 CHADMN Cc1cc(-c2noc(-c3cc(Cl)[nH]n3)n2)cc(C)c1F ZINC001213500411 1134456614 /nfs/dbraw/zinc/45/66/14/1134456614.db2.gz HARYHBVMLSAZKG-UHFFFAOYSA-N 0 1 292.701 3.536 20 0 CHADMN Fc1cccc(-c2noc(-c3cc(Cl)[nH]n3)n2)c1Cl ZINC001213500220 1134456942 /nfs/dbraw/zinc/45/69/42/1134456942.db2.gz CHMSYQKFYPJLJT-UHFFFAOYSA-N 0 1 299.092 3.573 20 0 CHADMN COc1cccc(Nc2ccc3nccn3c2)c1C1CC1 ZINC001213800526 1134485345 /nfs/dbraw/zinc/48/53/45/1134485345.db2.gz ANRHWWWGJFVADQ-UHFFFAOYSA-N 0 1 279.343 3.964 20 0 CHADMN COc1cccc(C2CC2)c1-n1c(N)nc2c1cccc2C ZINC001213812340 1134487536 /nfs/dbraw/zinc/48/75/36/1134487536.db2.gz YHEYZQVIAATEON-UHFFFAOYSA-N 0 1 293.370 3.802 20 0 CHADMN Cc1ccc(Nc2ccncc2Oc2ccccc2)c(N)c1 ZINC001214175804 1134517271 /nfs/dbraw/zinc/51/72/71/1134517271.db2.gz JSSFENXRDIGDMD-UHFFFAOYSA-N 0 1 291.354 3.930 20 0 CHADMN CSc1cc(Nc2cncn2C)cc(C(F)(F)F)c1 ZINC001214501105 1134546140 /nfs/dbraw/zinc/54/61/40/1134546140.db2.gz ONDJQZBLNWMIMR-UHFFFAOYSA-N 0 1 287.310 3.904 20 0 CHADMN Cc1cc(C[C@H](C)Nc2ccc(Cl)c(O)c2F)on1 ZINC001214791570 1134573027 /nfs/dbraw/zinc/57/30/27/1134573027.db2.gz YCTRHOIMKMLYBW-ZETCQYMHSA-N 0 1 284.718 3.524 20 0 CHADMN Cc1cn2c(cccc2Nc2ccc(Cl)c(O)c2F)n1 ZINC001214791131 1134573934 /nfs/dbraw/zinc/57/39/34/1134573934.db2.gz MOXZOYJUHYLGKT-UHFFFAOYSA-N 0 1 291.713 3.884 20 0 CHADMN Oc1c(F)cc(Nc2ccc(Cl)c(O)c2F)cc1F ZINC001214801539 1134575212 /nfs/dbraw/zinc/57/52/12/1134575212.db2.gz OOTGKCRXLDQZTI-UHFFFAOYSA-N 0 1 289.640 3.912 20 0 CHADMN Cc1ccc(O)c(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214801173 1134575245 /nfs/dbraw/zinc/57/52/45/1134575245.db2.gz BZCDMISALCILQX-UHFFFAOYSA-N 0 1 267.687 3.942 20 0 CHADMN Oc1c(Cl)ccc(Nc2cn(CC3CCC3)cn2)c1F ZINC001214798468 1134575756 /nfs/dbraw/zinc/57/57/56/1134575756.db2.gz SZDIHHDXKMRXRL-UHFFFAOYSA-N 0 1 295.745 3.925 20 0 CHADMN Oc1cc(F)c(Nc2ccc(Cl)c(O)c2F)c(F)c1 ZINC001214806834 1134576533 /nfs/dbraw/zinc/57/65/33/1134576533.db2.gz MDSAAKGXWRWURD-UHFFFAOYSA-N 0 1 289.640 3.912 20 0 CHADMN Cc1cc(C)nc(Nc2ccc(CO)c(C)c2C)c1 ZINC001215233777 1134608034 /nfs/dbraw/zinc/60/80/34/1134608034.db2.gz MLBIOIDOJKOOAW-UHFFFAOYSA-N 0 1 256.349 3.551 20 0 CHADMN CC[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000401279708 1134608229 /nfs/dbraw/zinc/60/82/29/1134608229.db2.gz HJJDUTSLEYWEJK-XHSDSOJGSA-N 0 1 281.440 3.780 20 0 CHADMN c1n[nH]c2c1[C@@H](Nc1ccc3oc(C4CC4)nc3c1)CCC2 ZINC000401596715 1134616389 /nfs/dbraw/zinc/61/63/89/1134616389.db2.gz WMMLAPMROAYLNG-ZDUSSCGKSA-N 0 1 294.358 3.918 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)N[C@H]1CCCc2n[nH]cc21 ZINC000401626783 1134617980 /nfs/dbraw/zinc/61/79/80/1134617980.db2.gz AYWIFFQKQKVDHG-BBRMVZONSA-N 0 1 299.418 3.925 20 0 CHADMN CCCc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000401675320 1134618376 /nfs/dbraw/zinc/61/83/76/1134618376.db2.gz IKEBTKOTLKGGTK-OAHLLOKOSA-N 0 1 255.365 3.852 20 0 CHADMN CCCOc1ccccc1N[C@H]1CCCc2[nH]ncc21 ZINC000401701699 1134619016 /nfs/dbraw/zinc/61/90/16/1134619016.db2.gz ABAGDEOFXDPWFZ-ZDUSSCGKSA-N 0 1 271.364 3.688 20 0 CHADMN Brc1cccc(N[C@H]2CCCc3[nH]ncc32)c1 ZINC000401804301 1134622077 /nfs/dbraw/zinc/62/20/77/1134622077.db2.gz PNTVBULLGLURJV-LBPRGKRZSA-N 0 1 292.180 3.662 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccc(F)c(F)c1Cl ZINC001215400015 1134624281 /nfs/dbraw/zinc/62/42/81/1134624281.db2.gz ZLVHREUIPJKKTQ-UHFFFAOYSA-N 0 1 293.704 3.848 20 0 CHADMN CCOc1ccc(N[C@H]2CCCc3[nH]ncc32)c(C)c1 ZINC000401929849 1134626910 /nfs/dbraw/zinc/62/69/10/1134626910.db2.gz HNOOKYPNJBHHEH-HNNXBMFYSA-N 0 1 271.364 3.606 20 0 CHADMN O=c1cc(Nc2cc3[nH]ncc3c(F)c2)c2ccccc2[nH]1 ZINC001215553846 1134639490 /nfs/dbraw/zinc/63/94/90/1134639490.db2.gz KXRZRZBCGWFKFO-UHFFFAOYSA-N 0 1 294.289 3.699 20 0 CHADMN Fc1cc(Nc2ncccc2C(F)(F)F)cc2n[nH]cc21 ZINC001215552809 1134639514 /nfs/dbraw/zinc/63/95/14/1134639514.db2.gz FSTJPRTXWKSOKX-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Cc1ccc(Nc2cc3[nH]ncc3c(F)c2)c(Cl)n1 ZINC001215553752 1134639556 /nfs/dbraw/zinc/63/95/56/1134639556.db2.gz FQMWHQVOECPWMY-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cn1ccc2cc(Nc3cc4[nH]ncc4c(F)c3)ccc21 ZINC001215555668 1134640535 /nfs/dbraw/zinc/64/05/35/1134640535.db2.gz MKACEXFHWKZPGN-UHFFFAOYSA-N 0 1 280.306 3.937 20 0 CHADMN CC(=O)c1sccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215556098 1134641394 /nfs/dbraw/zinc/64/13/94/1134641394.db2.gz RZZWFBWBQFYLBR-UHFFFAOYSA-N 0 1 275.308 3.710 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cc2n[nH]cc2c(F)c1 ZINC001215555750 1134641459 /nfs/dbraw/zinc/64/14/59/1134641459.db2.gz NZBGUMQMLNFQLY-UHFFFAOYSA-N 0 1 299.284 3.541 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555750 1134641465 /nfs/dbraw/zinc/64/14/65/1134641465.db2.gz NZBGUMQMLNFQLY-UHFFFAOYSA-N 0 1 299.284 3.541 20 0 CHADMN Fc1cc(Nc2ccc3cnoc3c2)cc2[nH]ncc21 ZINC001215556532 1134642060 /nfs/dbraw/zinc/64/20/60/1134642060.db2.gz GFTUDCZADUKCQM-UHFFFAOYSA-N 0 1 268.251 3.587 20 0 CHADMN O=c1ccc2cc(Nc3cc4[nH]ncc4c(F)c3)c[nH]c-2c1 ZINC001215556661 1134642082 /nfs/dbraw/zinc/64/20/82/1134642082.db2.gz WWBBBSOHLBFYHH-UHFFFAOYSA-N 0 1 294.289 3.699 20 0 CHADMN Cc1cc2nsnc2cc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215557867 1134642162 /nfs/dbraw/zinc/64/21/62/1134642162.db2.gz CGYKYYWMGOIVLD-UHFFFAOYSA-N 0 1 299.334 3.759 20 0 CHADMN CC(=O)c1cc(F)ccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215557222 1134642686 /nfs/dbraw/zinc/64/26/86/1134642686.db2.gz WIVVFIFRMJRSNF-UHFFFAOYSA-N 0 1 287.269 3.787 20 0 CHADMN COc1cc(Nc2cc3[nH]ncc3c(F)c2)cnc1Cl ZINC001215556706 1134642725 /nfs/dbraw/zinc/64/27/25/1134642725.db2.gz XZOPFROJBIZHSS-UHFFFAOYSA-N 0 1 292.701 3.503 20 0 CHADMN CC(=O)c1cc(C)ccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215559759 1134643754 /nfs/dbraw/zinc/64/37/54/1134643754.db2.gz XEQBODBKDHXSFB-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN Cc1ccc(Nc2cc(-c3ccccn3)no2)c2cn[nH]c21 ZINC001215755491 1134675281 /nfs/dbraw/zinc/67/52/81/1134675281.db2.gz STNYZONIDAREOV-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(C)c2n[nH]cc21 ZINC001215756609 1134675394 /nfs/dbraw/zinc/67/53/94/1134675394.db2.gz CYCVNQMMTCEQGJ-UHFFFAOYSA-N 0 1 295.321 3.710 20 0 CHADMN Cc1ccc(Nc2ccc3c(c2)[C@H](O)CCC3)c2cn[nH]c21 ZINC001215758704 1134675883 /nfs/dbraw/zinc/67/58/83/1134675883.db2.gz CUQUZRMICVFJIP-QGZVFWFLSA-N 0 1 293.370 3.985 20 0 CHADMN CC(=O)c1cc(Nc2ccc(C)c3[nH]ncc32)ccc1O ZINC001215758200 1134675893 /nfs/dbraw/zinc/67/58/93/1134675893.db2.gz JSRNEQQFVCIIGR-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN Cc1ccc(Nc2cccc(C3CC3)n2)c2cn[nH]c21 ZINC001215757362 1134675953 /nfs/dbraw/zinc/67/59/53/1134675953.db2.gz PEROTXDWHRWXKX-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1ccc(Nc2c(N)cc(Cl)cc2F)c2cn[nH]c21 ZINC001215759826 1134677359 /nfs/dbraw/zinc/67/73/59/1134677359.db2.gz XTIMHTDRAYGQHU-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN Cc1cc(C)cc(-c2noc(-c3c(O)cccc3F)n2)c1 ZINC001215775860 1134684241 /nfs/dbraw/zinc/68/42/41/1134684241.db2.gz FVINDWLXVRHBNZ-UHFFFAOYSA-N 0 1 284.290 3.865 20 0 CHADMN Oc1cccc(F)c1-c1nc(-c2ccc(F)cc2F)no1 ZINC001215773634 1134684275 /nfs/dbraw/zinc/68/42/75/1134684275.db2.gz OYKLNLLPQWEPFQ-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN Cc1ccc(-c2noc(-c3ccc(O)c(F)c3)n2)c(C)c1 ZINC001215792472 1134687603 /nfs/dbraw/zinc/68/76/03/1134687603.db2.gz RZYZDXGJNZAEAZ-UHFFFAOYSA-N 0 1 284.290 3.865 20 0 CHADMN O=c1cc(Nc2cc(Cl)cc3[nH]ncc32)cc(Cl)[nH]1 ZINC001215859355 1134705084 /nfs/dbraw/zinc/70/50/84/1134705084.db2.gz YULBDLBMQRVSRO-UHFFFAOYSA-N 0 1 295.129 3.714 20 0 CHADMN Cn1cc2ccc(Nc3cc(Cl)cc4[nH]ncc43)cc2n1 ZINC001215859447 1134705345 /nfs/dbraw/zinc/70/53/45/1134705345.db2.gz LODRVSDRGOHLAX-UHFFFAOYSA-N 0 1 297.749 3.847 20 0 CHADMN Oc1cccc(Nc2cc(Cl)cc3[nH]ncc32)c1 ZINC001215859537 1134705415 /nfs/dbraw/zinc/70/54/15/1134705415.db2.gz MWCZXCDPLAHEKX-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN Cc1cccc(-c2noc(-c3cccc(F)c3O)n2)c1F ZINC001215863318 1134706735 /nfs/dbraw/zinc/70/67/35/1134706735.db2.gz VTONBAWTGKXEQJ-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Cc1ccc(Nc2cc(Cl)cc3[nH]ncc32)cc1CO ZINC001215862381 1134707096 /nfs/dbraw/zinc/70/70/96/1134707096.db2.gz UUJQHLIZMZWKBP-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN CN(C)Cc1cccc(Nc2nccc3cnccc32)c1F ZINC001216227594 1134812542 /nfs/dbraw/zinc/81/25/42/1134812542.db2.gz FOXRJGBTVFHYGT-UHFFFAOYSA-N 0 1 296.349 3.574 20 0 CHADMN CN(C)Cc1cccc(Nc2cnccc2C2CC2)c1F ZINC001216228123 1134812853 /nfs/dbraw/zinc/81/28/53/1134812853.db2.gz RFFVDBGALRDKAJ-UHFFFAOYSA-N 0 1 285.366 3.903 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc(C3CC3)nc2)c1F ZINC001216227776 1134813871 /nfs/dbraw/zinc/81/38/71/1134813871.db2.gz JVIAWGXQPNPJIG-UHFFFAOYSA-N 0 1 285.366 3.903 20 0 CHADMN CN(C)Cc1cccc(N2CCCc3cc(N)ccc32)c1F ZINC001216231610 1134816278 /nfs/dbraw/zinc/81/62/78/1134816278.db2.gz AMIUJVUSOMLHOI-UHFFFAOYSA-N 0 1 299.393 3.554 20 0 CHADMN Fc1ccc(Nc2ccc3nccn3c2)c2occc21 ZINC001216296038 1134840210 /nfs/dbraw/zinc/84/02/10/1134840210.db2.gz WTJWWBNLKRCKPQ-UHFFFAOYSA-N 0 1 267.263 3.963 20 0 CHADMN OCc1cc(Nc2cccc(C3CCCC3)c2)ccn1 ZINC001216345508 1134864652 /nfs/dbraw/zinc/86/46/52/1134864652.db2.gz DWUANNFESOQQSZ-UHFFFAOYSA-N 0 1 268.360 3.975 20 0 CHADMN Cc1cc(Nc2ccnc(CO)c2)cc(Cl)c1Cl ZINC001216388192 1134879184 /nfs/dbraw/zinc/87/91/84/1134879184.db2.gz IZYFIULDZJYARL-UHFFFAOYSA-N 0 1 283.158 3.933 20 0 CHADMN Cc1ncn(C)c1Nc1cccc(OC(F)(F)F)c1F ZINC001216522315 1134914939 /nfs/dbraw/zinc/91/49/39/1134914939.db2.gz AKTFCBAKMJSJKJ-UHFFFAOYSA-N 0 1 289.232 3.510 20 0 CHADMN Clc1cncc(Nc2cncn2Cc2ccccc2)c1 ZINC001216549968 1134918172 /nfs/dbraw/zinc/91/81/72/1134918172.db2.gz CKMVFZRBPJBBGI-UHFFFAOYSA-N 0 1 284.750 3.723 20 0 CHADMN CSc1cc(Nc2cncn2Cc2ccccc2)ccn1 ZINC001216552188 1134918395 /nfs/dbraw/zinc/91/83/95/1134918395.db2.gz LLTPRTWGAZKEPO-UHFFFAOYSA-N 0 1 296.399 3.792 20 0 CHADMN CCc1ncsc1Nc1cncn1Cc1ccccc1 ZINC001216552113 1134919201 /nfs/dbraw/zinc/91/92/01/1134919201.db2.gz IVCMFUZOYRIJOT-UHFFFAOYSA-N 0 1 284.388 3.694 20 0 CHADMN c1ncn(Cc2ccccc2)c1Nc1cccc2c1COC2 ZINC001216554236 1134920511 /nfs/dbraw/zinc/92/05/11/1134920511.db2.gz DWKOFJASNFQPAE-UHFFFAOYSA-N 0 1 291.354 3.705 20 0 CHADMN Nc1ccc(Nc2cncn2Cc2ccccc2)c(Cl)c1 ZINC001216553401 1134920746 /nfs/dbraw/zinc/92/07/46/1134920746.db2.gz MYRKSOPCEMHSNA-UHFFFAOYSA-N 0 1 298.777 3.911 20 0 CHADMN Cc1c(Nc2ccc3c[nH+]ccc3c2)cccc1C(=O)[O-] ZINC001216660643 1134941500 /nfs/dbraw/zinc/94/15/00/1134941500.db2.gz OEUWXUWZFLDEHF-UHFFFAOYSA-N 0 1 278.311 3.985 20 0 CHADMN Cc1ccc2nc(-c3nc(-c4ccccc4C)no3)[nH]c2c1 ZINC001217257445 1134968463 /nfs/dbraw/zinc/96/84/63/1134968463.db2.gz SSCBJBSXTAXVTM-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Cc1ccc2nc(-c3nc(-c4ccccc4)no3)[nH]c2c1 ZINC001217257029 1134968979 /nfs/dbraw/zinc/96/89/79/1134968979.db2.gz HSEAPHFXPKFPCR-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN Cc1cc(C)cc(-c2noc(-c3cc4cccnc4[nH]3)n2)c1 ZINC001217305948 1134971289 /nfs/dbraw/zinc/97/12/89/1134971289.db2.gz IWVXXDQFCIZQDA-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Cc1cccc2nc(-c3nc(-c4ccccc4F)no3)[nH]c21 ZINC001217336012 1134972981 /nfs/dbraw/zinc/97/29/81/1134972981.db2.gz ODDNLHHPRWVSSX-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Fc1ccc(-c2noc(-c3cnc4ccc[nH]c3-4)n2)cc1F ZINC001217398478 1134975153 /nfs/dbraw/zinc/97/51/53/1134975153.db2.gz DHQBVLAAPNRECJ-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN Cc1ccc(-c2noc(-c3cnc4ccc[nH]c3-4)n2)cc1F ZINC001217399324 1134976244 /nfs/dbraw/zinc/97/62/44/1134976244.db2.gz QFYRAAHXSGXTAD-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN CCc1cccc(-c2noc(-c3cnc4ccc[nH]c3-4)n2)c1 ZINC001217399168 1134976503 /nfs/dbraw/zinc/97/65/03/1134976503.db2.gz PSRSMMSUEDGPSB-UHFFFAOYSA-N 0 1 290.326 3.842 20 0 CHADMN Fc1cc(F)cc(-c2noc(-c3cnc4ccc[nH]c3-4)n2)c1 ZINC001217399908 1134976518 /nfs/dbraw/zinc/97/65/18/1134976518.db2.gz ZUINRZNJRZRBRD-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN Oc1c2ccoc2ccc1-c1nc(-c2ccc(F)cc2)no1 ZINC001217514935 1134981106 /nfs/dbraw/zinc/98/11/06/1134981106.db2.gz ZOLDFFNTDKQRCI-UHFFFAOYSA-N 0 1 296.257 3.995 20 0 CHADMN CN[C@H](c1nnc(-c2ccc(Cl)cc2)o1)C(C)(C)C ZINC001217736728 1134993460 /nfs/dbraw/zinc/99/34/60/1134993460.db2.gz MXRKVQRPFGTIPS-LLVKDONJSA-N 0 1 279.771 3.697 20 0 CHADMN C[C@@H]1CC[C@H](OCc2cccc3nc[nH]c32)C[C@H]1C ZINC001217871001 1135013200 /nfs/dbraw/zinc/01/32/00/1135013200.db2.gz PLNWTYCMSYJRFP-BZPMIXESSA-N 0 1 258.365 3.904 20 0 CHADMN CCCCCC1CCC(Oc2n[nH]c3c2CNCC3)CC1 ZINC001218216553 1135070359 /nfs/dbraw/zinc/07/03/59/1135070359.db2.gz NIRLFMMVZQOAKI-UHFFFAOYSA-N 0 1 291.439 3.573 20 0 CHADMN O=C(Nc1ccsc1)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001218534943 1135117993 /nfs/dbraw/zinc/11/79/93/1135117993.db2.gz FQKNIEBGOXLXHX-CABCVRRESA-N 0 1 286.400 3.570 20 0 CHADMN C[C@H]1CCN(Cc2cccc(O)c2Br)[C@@H](C)C1 ZINC000315816673 1135161614 /nfs/dbraw/zinc/16/16/14/1135161614.db2.gz JAPNBHTVPNXVAV-QWRGUYRKSA-N 0 1 298.224 3.775 20 0 CHADMN CC[C@@H]1CCCN(Cc2cccc(O)c2Br)C1 ZINC000315908837 1135162592 /nfs/dbraw/zinc/16/25/92/1135162592.db2.gz PYTNVTVUPDQZLJ-LLVKDONJSA-N 0 1 298.224 3.777 20 0 CHADMN Cc1cc(-c2ccc(CN(C)C)cn2)c(F)cc1Cl ZINC001222221041 1135210305 /nfs/dbraw/zinc/21/03/05/1135210305.db2.gz RFHJEQQPXPAXCU-UHFFFAOYSA-N 0 1 278.758 3.911 20 0 CHADMN COCc1ccc(Cl)c(-c2ccc3cncn3c2)c1 ZINC001222257391 1135215589 /nfs/dbraw/zinc/21/55/89/1135215589.db2.gz XOZIYSOWASGHAF-UHFFFAOYSA-N 0 1 272.735 3.801 20 0 CHADMN Clc1ccc(-c2ccc3[nH]nnc3c2)cc1Cl ZINC001222352609 1135230620 /nfs/dbraw/zinc/23/06/20/1135230620.db2.gz PQRUNYRXXQAIBK-UHFFFAOYSA-N 0 1 264.115 3.932 20 0 CHADMN Clc1ccc(-c2ccc3nn[nH]c3c2)cc1Cl ZINC001222352609 1135230625 /nfs/dbraw/zinc/23/06/25/1135230625.db2.gz PQRUNYRXXQAIBK-UHFFFAOYSA-N 0 1 264.115 3.932 20 0 CHADMN Cc1nc2cccc(-c3cn(C)nc3-c3ccccc3)c2[nH]1 ZINC001222540062 1135249694 /nfs/dbraw/zinc/24/96/94/1135249694.db2.gz AARYWUYPQRXIHJ-UHFFFAOYSA-N 0 1 288.354 3.939 20 0 CHADMN Cc1nc(-c2cc(Cl)cc(Cl)c2)nc2nc[nH]c21 ZINC001222582063 1135253138 /nfs/dbraw/zinc/25/31/38/1135253138.db2.gz FOGGBNPFYNWUAZ-UHFFFAOYSA-N 0 1 279.130 3.587 20 0 CHADMN C[C@H](OCc1cnc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC001223000070 1135293410 /nfs/dbraw/zinc/29/34/10/1135293410.db2.gz KMRYASDILVLEKW-QMMMGPOBSA-N 0 1 271.147 3.994 20 0 CHADMN CC(C)C[C@@H](Cc1ccccc1)OCc1cnc[nH]1 ZINC001223007651 1135293967 /nfs/dbraw/zinc/29/39/67/1135293967.db2.gz NCEOOWRRTUIBBT-INIZCTEOSA-N 0 1 258.365 3.584 20 0 CHADMN Clc1cc2c(cc1Cl)[C@H](OCc1cnc[nH]1)CC2 ZINC001223001088 1135294708 /nfs/dbraw/zinc/29/47/08/1135294708.db2.gz SZRBGLFIUHBWJF-CYBMUJFWSA-N 0 1 283.158 3.921 20 0 CHADMN Clc1ccc(CN2CC[C@@H](OCc3ccco3)C2)cc1 ZINC001223050420 1135299155 /nfs/dbraw/zinc/29/91/55/1135299155.db2.gz LVJJBWGMBKHHGO-OAHLLOKOSA-N 0 1 291.778 3.724 20 0 CHADMN CN1CC[C@H](OC(Cl)(Cl)c2ccc(Cl)cc2)C1 ZINC001223128050 1135308412 /nfs/dbraw/zinc/30/84/12/1135308412.db2.gz DJNCWUJDWCTZGK-NSHDSACASA-N 0 1 294.609 3.649 20 0 CHADMN CC(C)(C)N1CC(OCc2csc3ccccc23)C1 ZINC001223977396 1135404612 /nfs/dbraw/zinc/40/46/12/1135404612.db2.gz XJRQFGXSZCFNJM-UHFFFAOYSA-N 0 1 275.417 3.901 20 0 CHADMN Cc1ccc(Cl)c(O[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001225203932 1135512216 /nfs/dbraw/zinc/51/22/16/1135512216.db2.gz IGUPCOSRMWFBGZ-CYBMUJFWSA-N 0 1 267.800 3.900 20 0 CHADMN [S-]c1ccc(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)cc1 ZINC001225558016 1135586318 /nfs/dbraw/zinc/58/63/18/1135586318.db2.gz MTUHYBQTXHZISG-INIZCTEOSA-N 0 1 296.395 3.672 20 0 CHADMN Cc1cc(=O)[nH]c(O[C@@H](C)c2ccccc2C(F)(F)F)n1 ZINC001226157416 1135669129 /nfs/dbraw/zinc/66/91/29/1135669129.db2.gz YPYXCKJJZMTQTD-VIFPVBQESA-N 0 1 298.264 3.649 20 0 CHADMN C[C@@H](Oc1n[nH]c2ncccc12)c1ccccc1Cl ZINC001226300457 1135681932 /nfs/dbraw/zinc/68/19/32/1135681932.db2.gz OBBGTVXAVGTECL-SECBINFHSA-N 0 1 273.723 3.751 20 0 CHADMN Cc1cc(COc2n[nH]c3ncccc23)ccc1OC(C)C ZINC001226305833 1135682793 /nfs/dbraw/zinc/68/27/93/1135682793.db2.gz NLXPQTAUPZZWDR-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN Cc1ccc([C@@H](C)Oc2cc(N)nc3ccccc32)cn1 ZINC001226423362 1135695501 /nfs/dbraw/zinc/69/55/01/1135695501.db2.gz WFYKOQUMUDGKDD-GFCCVEGCSA-N 0 1 279.343 3.660 20 0 CHADMN Cc1nc(O[C@H](C)c2cc(Cl)ccc2C)c(F)c(=O)[nH]1 ZINC001226423792 1135696033 /nfs/dbraw/zinc/69/60/33/1135696033.db2.gz LQXRTAJCQOGRNZ-MRVPVSSYSA-N 0 1 296.729 3.732 20 0 CHADMN Cc1ccc2nc(O[C@@H]3CCCc4cccnc43)[nH]c2c1 ZINC001226506267 1135705204 /nfs/dbraw/zinc/70/52/04/1135705204.db2.gz NHGWQCPKWXRXQJ-OAHLLOKOSA-N 0 1 279.343 3.723 20 0 CHADMN Cc1ccc2nc(O[C@@H](C)c3ccncc3F)[nH]c2c1 ZINC001226510499 1135705624 /nfs/dbraw/zinc/70/56/24/1135705624.db2.gz ZCHVVTCIJIZCPX-JTQLQIEISA-N 0 1 271.295 3.545 20 0 CHADMN Cc1ccc2nc(O[C@H](C)c3ccc(C)nc3)[nH]c2c1 ZINC001226509619 1135705684 /nfs/dbraw/zinc/70/56/84/1135705684.db2.gz WDQKVFIRXRHGJA-GFCCVEGCSA-N 0 1 267.332 3.715 20 0 CHADMN Cc1ccc2nc(OCc3ccnc(OC(C)C)c3)[nH]c2c1 ZINC001226507879 1135706070 /nfs/dbraw/zinc/70/60/70/1135706070.db2.gz FKKNAAWNDNIQHT-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN Cc1cccc2c1[C@@H](Oc1ccc3nc[nH]c3c1)CC2 ZINC001226925521 1135761540 /nfs/dbraw/zinc/76/15/40/1135761540.db2.gz VGBSRZFUSPQBQZ-INIZCTEOSA-N 0 1 264.328 3.938 20 0 CHADMN COc1ccc([C@@H](C)Oc2ccc3nc[nH]c3c2)cc1 ZINC001226928067 1135761561 /nfs/dbraw/zinc/76/15/61/1135761561.db2.gz DSJUPHVWUAYJIQ-LLVKDONJSA-N 0 1 268.316 3.712 20 0 CHADMN Cc1cccc2c1CC[C@H]2Oc1ccc2nc[nH]c2c1 ZINC001226924816 1135761610 /nfs/dbraw/zinc/76/16/10/1135761610.db2.gz PCQCELPXLXBXOI-QGZVFWFLSA-N 0 1 264.328 3.938 20 0 CHADMN Cc1cccc2nc(O[C@@H](C)c3ccncc3F)[nH]c21 ZINC001227267291 1135811932 /nfs/dbraw/zinc/81/19/32/1135811932.db2.gz AVWXUUAGQWDLSS-JTQLQIEISA-N 0 1 271.295 3.545 20 0 CHADMN Cc1cccc2nc(OCc3cccnc3OC(C)C)[nH]c21 ZINC001227267501 1135812175 /nfs/dbraw/zinc/81/21/75/1135812175.db2.gz CYRNSALGPYUNGV-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN C[C@@H](Oc1nc2ccc(Cl)cc2[nH]1)c1cccnc1F ZINC001227266814 1135813239 /nfs/dbraw/zinc/81/32/39/1135813239.db2.gz QIWDCPWGXNQMCE-MRVPVSSYSA-N 0 1 291.713 3.890 20 0 CHADMN CCCC(=O)[C@H](CCC)Oc1nc2cccc(C)c2[nH]1 ZINC001227268970 1135814008 /nfs/dbraw/zinc/81/40/08/1135814008.db2.gz YDWSATWKQPAMQQ-AWEZNQCLSA-N 0 1 274.364 3.788 20 0 CHADMN Cc1cccc2nc(O[C@@H](C)c3cccnc3F)[nH]c21 ZINC001227268960 1135813922 /nfs/dbraw/zinc/81/39/22/1135813922.db2.gz YCNNJFRWGSDVBE-JTQLQIEISA-N 0 1 271.295 3.545 20 0 CHADMN CCC1(CC)CCCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000721238625 1135824737 /nfs/dbraw/zinc/82/47/37/1135824737.db2.gz BWKORYDNMJIRSZ-UHFFFAOYSA-N 0 1 281.783 3.840 20 0 CHADMN Cc1ccc(Cl)cc1[C@H](C)Oc1[nH]c(=S)nnc1C ZINC001227597343 1135849240 /nfs/dbraw/zinc/84/92/40/1135849240.db2.gz BDXCDSQHGQMEHS-VIFPVBQESA-N 0 1 295.795 3.571 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000517750999 260120491 /nfs/dbraw/zinc/12/04/91/260120491.db2.gz ZMGDTLXVRUPSJF-ZDUSSCGKSA-N 0 1 279.380 3.687 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2ccccc2)c(OC)c1 ZINC000096954109 185140807 /nfs/dbraw/zinc/14/08/07/185140807.db2.gz BSHLGXARGMUVKL-CQSZACIVSA-N 0 1 285.387 3.897 20 0 CHADMN CCn1ccnc1CN1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000347599833 529569439 /nfs/dbraw/zinc/56/94/39/529569439.db2.gz MKHRQEFPOHFZKS-ZIAGYGMSSA-N 0 1 263.429 3.550 20 0 CHADMN CC[C@H](NCc1ccc(Cl)cn1)c1cccc(OC)c1 ZINC000344328717 529626658 /nfs/dbraw/zinc/62/66/58/529626658.db2.gz MFGYSYFMXXROJO-INIZCTEOSA-N 0 1 290.794 3.985 20 0 CHADMN CC[C@H](NCc1ccccc1N(C)C)c1ccc(F)cn1 ZINC000352846635 529632031 /nfs/dbraw/zinc/63/20/31/529632031.db2.gz BTPBRPAVYUWKLA-HNNXBMFYSA-N 0 1 287.382 3.528 20 0 CHADMN CCc1ccc(C2=CCN(Cc3ccnc(C)n3)CC2)cc1 ZINC000352859552 529618218 /nfs/dbraw/zinc/61/82/18/529618218.db2.gz GBGCKRGZONHSLX-UHFFFAOYSA-N 0 1 293.414 3.637 20 0 CHADMN CCc1ccc(CN2CC[C@H]2c2ccccc2)cn1 ZINC000347676400 529642030 /nfs/dbraw/zinc/64/20/30/529642030.db2.gz QJJLDQLAYXXHEV-KRWDZBQOSA-N 0 1 252.361 3.591 20 0 CHADMN CCc1ccc(CN2CCS[C@H]3CCCC[C@@H]32)cn1 ZINC000347878947 529642101 /nfs/dbraw/zinc/64/21/01/529642101.db2.gz MJOCIUFUEQGIQO-HOTGVXAUSA-N 0 1 276.449 3.504 20 0 CHADMN CCc1ccc(CNCc2ccc(OC(C)(C)C)nc2)cn1 ZINC000352743218 529653392 /nfs/dbraw/zinc/65/33/92/529653392.db2.gz UIOPKPQSWCLXNW-UHFFFAOYSA-N 0 1 299.418 3.506 20 0 CHADMN CCc1ccc(CN[C@H](c2ccccc2)[C@H]2CCCO2)cn1 ZINC000352778149 529657491 /nfs/dbraw/zinc/65/74/91/529657491.db2.gz GBKQGRPGXZYBFU-RTBURBONSA-N 0 1 296.414 3.654 20 0 CHADMN CCc1ccc(CN[C@@H](c2ncccc2C)C(C)C)cn1 ZINC000352771310 529654889 /nfs/dbraw/zinc/65/48/89/529654889.db2.gz OIVQUXNPSJKXPS-QGZVFWFLSA-N 0 1 283.419 3.834 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccc(OC)c(F)c2)cn1 ZINC000352251143 529655534 /nfs/dbraw/zinc/65/55/34/529655534.db2.gz OLJQTUPAGBMGGX-LBPRGKRZSA-N 0 1 288.366 3.643 20 0 CHADMN CCc1ccc(CN(C)Cc2cnccc2C)cc1 ZINC000353361961 529636184 /nfs/dbraw/zinc/63/61/84/529636184.db2.gz DNDSKWUUIGUJFR-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN CCc1ccc(CN(Cc2ccc(OC)cc2)C2CC2)cn1 ZINC000347650283 529638047 /nfs/dbraw/zinc/63/80/47/529638047.db2.gz JLGKZCWJPILODV-UHFFFAOYSA-N 0 1 296.414 3.817 20 0 CHADMN CC[C@H](N[C@H](c1nccn1C)C1CC1)c1cccc(C)c1 ZINC000353861233 529669495 /nfs/dbraw/zinc/66/94/95/529669495.db2.gz AMUBEHJRWCFFNI-IRXDYDNUSA-N 0 1 283.419 3.921 20 0 CHADMN C[C@H]1CN(Cc2ccccc2NCC2(C)CC2)C[C@H](C)O1 ZINC000573422005 334936486 /nfs/dbraw/zinc/93/64/86/334936486.db2.gz VPMIPOZBVJMNNA-GJZGRUSLSA-N 0 1 288.435 3.508 20 0 CHADMN CCc1nc(CN2CCC[C@H](C)[C@H]2c2ccc(C)cc2)n[nH]1 ZINC000354837537 529736106 /nfs/dbraw/zinc/73/61/06/529736106.db2.gz OXCAHWJQUXBYHP-KSSFIOAISA-N 0 1 298.434 3.649 20 0 CHADMN CCc1nc(CN2CCC[C@H]2C(C)(C)C)cs1 ZINC000353436561 529736255 /nfs/dbraw/zinc/73/62/55/529736255.db2.gz CKOIPBXFBZZWOU-LBPRGKRZSA-N 0 1 252.427 3.716 20 0 CHADMN CCc1nc(CN2CCC[C@H]2c2ccc(C(C)C)cc2)n[nH]1 ZINC000355056843 529736376 /nfs/dbraw/zinc/73/63/76/529736376.db2.gz MQZYJJPUUHRYPD-INIZCTEOSA-N 0 1 298.434 3.828 20 0 CHADMN CCc1ncc(CN(C)Cc2cc(C)cc(C)c2)s1 ZINC000353590034 529752326 /nfs/dbraw/zinc/75/23/26/529752326.db2.gz AXHIXKJPSDOZGY-UHFFFAOYSA-N 0 1 274.433 3.954 20 0 CHADMN CN(Cc1ccc(Cl)o1)C[C@@H]1OCCc2ccccc21 ZINC000352681902 529985810 /nfs/dbraw/zinc/98/58/10/529985810.db2.gz NUSULZCNCVKCTF-HNNXBMFYSA-N 0 1 291.778 3.679 20 0 CHADMN CN(Cc1ccn(C)c1)Cc1cc(Cl)cc(Cl)c1 ZINC000351979533 530009986 /nfs/dbraw/zinc/00/99/86/530009986.db2.gz RHTSQWXMBKSSMZ-UHFFFAOYSA-N 0 1 283.202 3.964 20 0 CHADMN CN(Cc1nccs1)CC1CCC(C)(C)CC1 ZINC000353769361 530028859 /nfs/dbraw/zinc/02/88/59/530028859.db2.gz RNRFQIUHIDBTOX-UHFFFAOYSA-N 0 1 252.427 3.791 20 0 CHADMN CC1(C)COC[C@H]1NCc1cccc(Cl)c1Cl ZINC000313057286 260241639 /nfs/dbraw/zinc/24/16/39/260241639.db2.gz CCPBDGXGYYUXFA-LLVKDONJSA-N 0 1 274.191 3.508 20 0 CHADMN C[C@H](O)C[C@H]1CCCCN1Cc1cc(F)ccc1Cl ZINC000126467278 260352183 /nfs/dbraw/zinc/35/21/83/260352183.db2.gz YAENWYKNZHKIGE-SMDDNHRTSA-N 0 1 285.790 3.605 20 0 CHADMN Cc1ccoc1CNCc1cccc(OC(F)(F)F)c1 ZINC000336830805 334979052 /nfs/dbraw/zinc/97/90/52/334979052.db2.gz HECRFVLYRFPLIU-UHFFFAOYSA-N 0 1 285.265 3.776 20 0 CHADMN CSC[C@@H](C)NCc1csc(-c2ccc(F)cc2)n1 ZINC000130690328 260399083 /nfs/dbraw/zinc/39/90/83/260399083.db2.gz CNYAZUSLTVOLEC-SNVBAGLBSA-N 0 1 296.436 3.790 20 0 CHADMN Cc1cc(C)cc(CNCc2ccc3c(n2)CCCC3)c1 ZINC000444002414 370692293 /nfs/dbraw/zinc/69/22/93/370692293.db2.gz FQYVCPOCOSWXLW-UHFFFAOYSA-N 0 1 280.415 3.867 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2ncc(C(C)(C)C)s2)C1 ZINC000448336941 261118123 /nfs/dbraw/zinc/11/81/23/261118123.db2.gz JZMIBBUSYYFEPS-MNOVXSKESA-N 0 1 252.427 3.671 20 0 CHADMN CN(Cc1cnc(C2CCCCC2)s1)[C@H]1CCCOC1 ZINC000574365846 335013644 /nfs/dbraw/zinc/01/36/44/335013644.db2.gz ITHNPDCHSAECMR-AWEZNQCLSA-N 0 1 294.464 3.802 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000574524643 335026897 /nfs/dbraw/zinc/02/68/97/335026897.db2.gz DZKIMAFEPRPQSC-KRWDZBQOSA-N 0 1 299.345 3.861 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@H](C)C1CCCCC1 ZINC000574525556 335026911 /nfs/dbraw/zinc/02/69/11/335026911.db2.gz QYHXALOQLVIYER-AWEZNQCLSA-N 0 1 269.429 3.636 20 0 CHADMN Cc1csc(CN(C)CCCc2ccccc2)n1 ZINC000172403221 261499864 /nfs/dbraw/zinc/49/98/64/261499864.db2.gz UPZZBCYOFWRDBJ-UHFFFAOYSA-N 0 1 260.406 3.516 20 0 CHADMN Cc1ncc(CNC(C)(C)c2ccc(F)c(F)c2)s1 ZINC000175990271 335226567 /nfs/dbraw/zinc/22/65/67/335226567.db2.gz SEEPVJILXDAVAG-UHFFFAOYSA-N 0 1 282.359 3.755 20 0 CHADMN CC(C)[C@@H](NCc1noc2ccccc12)c1cccnc1 ZINC000574650476 335037215 /nfs/dbraw/zinc/03/72/15/335037215.db2.gz ATWGFUIUQGBITM-QGZVFWFLSA-N 0 1 281.359 3.710 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000574697659 335040586 /nfs/dbraw/zinc/04/05/86/335040586.db2.gz WWXZOGUMBIUBBE-INIZCTEOSA-N 0 1 287.359 3.869 20 0 CHADMN CSc1ccc(CN[C@@H](CO)c2sccc2C)s1 ZINC000352800380 532959763 /nfs/dbraw/zinc/95/97/63/532959763.db2.gz PKNPKFWZDZXFRN-NSHDSACASA-N 0 1 299.486 3.663 20 0 CHADMN FC(F)(F)c1ccc(CN2CC3(CCC3(F)F)C2)cc1 ZINC000574802073 335048270 /nfs/dbraw/zinc/04/82/70/335048270.db2.gz UNBBYOOSZCYNBA-UHFFFAOYSA-N 0 1 291.263 3.937 20 0 CHADMN Cc1cccc(C)c1[C@H](C)N[C@H](C)c1cnccn1 ZINC000355072953 227371197 /nfs/dbraw/zinc/37/11/97/227371197.db2.gz YSNQSCBMWQWJLN-KGLIPLIRSA-N 0 1 255.365 3.505 20 0 CHADMN C[C@H](NCc1ccc2occc2c1)c1ccncc1F ZINC000352869088 227375905 /nfs/dbraw/zinc/37/59/05/227375905.db2.gz NHWVOTPSFUPRKR-NSHDSACASA-N 0 1 270.307 3.818 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1scnc1C ZINC000179427899 260047562 /nfs/dbraw/zinc/04/75/62/260047562.db2.gz NCKVQYRAOILZIV-UKTHLTGXSA-N 0 1 272.417 3.987 20 0 CHADMN COc1cc(CNCc2ccsc2)cc(Cl)c1OC ZINC000061591100 262399509 /nfs/dbraw/zinc/39/95/09/262399509.db2.gz GJBDPFVQYGOBFV-UHFFFAOYSA-N 0 1 297.807 3.709 20 0 CHADMN C[C@@H](C1CCC1)[N@H+](C)Cc1cccc([O-])c1Cl ZINC000353520936 533385949 /nfs/dbraw/zinc/38/59/49/533385949.db2.gz QASLHQGKVDGKLV-JTQLQIEISA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H](C1CCC1)[N@@H+](C)Cc1cccc([O-])c1Cl ZINC000353520936 533385953 /nfs/dbraw/zinc/38/59/53/533385953.db2.gz QASLHQGKVDGKLV-JTQLQIEISA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H](NCCOC1CCC1)c1nc(C(C)(C)C)cs1 ZINC000347239542 533398133 /nfs/dbraw/zinc/39/81/33/533398133.db2.gz VSHFTVPCBCGULL-LLVKDONJSA-N 0 1 282.453 3.660 20 0 CHADMN C[C@@H](NCc1cccc(O)c1)c1nccc2ccccc21 ZINC000353250466 533456728 /nfs/dbraw/zinc/45/67/28/533456728.db2.gz FZFYZJGZLUQGQV-CYBMUJFWSA-N 0 1 278.355 3.791 20 0 CHADMN C[C@@H](NCc1ncccc1N(C)C)c1ccc(Cl)cc1 ZINC000353187756 533472011 /nfs/dbraw/zinc/47/20/11/533472011.db2.gz GEMTZGQKVRWWIX-GFCCVEGCSA-N 0 1 289.810 3.652 20 0 CHADMN CSC1(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)CCC1 ZINC000356120022 533483489 /nfs/dbraw/zinc/48/34/89/533483489.db2.gz DBRCIEZBUFLMSL-GXTWGEPZSA-N 0 1 297.489 3.796 20 0 CHADMN C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(Cl)c1 ZINC000166608171 533531184 /nfs/dbraw/zinc/53/11/84/533531184.db2.gz DBDRSUAOPNOTEO-ZTFRIQLXSA-N 0 1 287.790 3.649 20 0 CHADMN COc1ccc(CN2Cc3ccccc3C[C@@H]2C)cc1OC ZINC000353665255 533574665 /nfs/dbraw/zinc/57/46/65/533574665.db2.gz JWYYKHYARQFZNS-AWEZNQCLSA-N 0 1 297.398 3.651 20 0 CHADMN CSCCCN(C)Cc1nc2ccc(F)cc2s1 ZINC000343657816 533563067 /nfs/dbraw/zinc/56/30/67/533563067.db2.gz LUEXYGGZEXWNAB-UHFFFAOYSA-N 0 1 284.425 3.620 20 0 CHADMN Cc1occc1CN[C@H]1CCCc2cc(F)ccc21 ZINC000341763755 130029416 /nfs/dbraw/zinc/02/94/16/130029416.db2.gz YRXFZWUWJSMBBZ-INIZCTEOSA-N 0 1 259.324 3.894 20 0 CHADMN C[C@H](NCCc1cccc(F)c1F)c1c(F)cncc1F ZINC000353222017 130085965 /nfs/dbraw/zinc/08/59/65/130085965.db2.gz SNIMXTCHDIIRBG-VIFPVBQESA-N 0 1 298.283 3.531 20 0 CHADMN C[C@@H](NCCCCCF)c1nc(C2CCCCC2)no1 ZINC000341911350 130124617 /nfs/dbraw/zinc/12/46/17/130124617.db2.gz NKKZTVJPGUJYNF-GFCCVEGCSA-N 0 1 283.391 3.908 20 0 CHADMN C[C@@H]1CCCCC[N@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000341892414 130134988 /nfs/dbraw/zinc/13/49/88/130134988.db2.gz PTQJUSQPKKLCHF-LLVKDONJSA-N 0 1 272.314 3.865 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC2(CCOCC2)CC1 ZINC000341993628 130186039 /nfs/dbraw/zinc/18/60/39/130186039.db2.gz RLBNXGBDURETRN-ZDUSSCGKSA-N 0 1 295.373 3.918 20 0 CHADMN Fc1ccc(Cl)cc1CN1CCC[C@H]1[C@H]1CCCO1 ZINC000342023636 130204926 /nfs/dbraw/zinc/20/49/26/130204926.db2.gz RASCEJRMWYBZIV-LSDHHAIUSA-N 0 1 283.774 3.623 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCC[C@H]1[C@H]1CCCO1 ZINC000342022924 130204959 /nfs/dbraw/zinc/20/49/59/130204959.db2.gz QJSSXZADKKTYAC-LSDHHAIUSA-N 0 1 283.774 3.623 20 0 CHADMN Fc1cccc(Cl)c1CN1CCC[C@H]1[C@H]1CCCO1 ZINC000342056041 130226715 /nfs/dbraw/zinc/22/67/15/130226715.db2.gz GQGAZWIQYYTDOL-LSDHHAIUSA-N 0 1 283.774 3.623 20 0 CHADMN COc1ccc2nc(SCC(=O)CCC(C)C)[nH]c2c1 ZINC000342106437 130264469 /nfs/dbraw/zinc/26/44/69/130264469.db2.gz ZGCYMNNDMMHBQY-UHFFFAOYSA-N 0 1 292.404 3.669 20 0 CHADMN CCCN(Cc1nc([C@@H](C)OCC(C)C)no1)CC(C)C ZINC000342113356 130269562 /nfs/dbraw/zinc/26/95/62/130269562.db2.gz PMOXWDSWDYAEOJ-CQSZACIVSA-N 0 1 297.443 3.671 20 0 CHADMN Cc1ccc([C@H]2CCCN2[C@@H](C)c2cnccn2)s1 ZINC000342180297 130313814 /nfs/dbraw/zinc/31/38/14/130313814.db2.gz AINNQSMKUHXHHJ-GXTWGEPZSA-N 0 1 273.405 3.745 20 0 CHADMN CC(C)CCCNc1ccc(Cl)c(CN(C)CCO)c1 ZINC000342157741 130350258 /nfs/dbraw/zinc/35/02/58/130350258.db2.gz FGSDBGFUIMBOOZ-UHFFFAOYSA-N 0 1 298.858 3.612 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)CC3CC(C)(C)C3)ccc12 ZINC000344946705 533672375 /nfs/dbraw/zinc/67/23/75/533672375.db2.gz FNZIRIKKCPVZEE-UHFFFAOYSA-N 0 1 271.364 3.636 20 0 CHADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)c1ccccc1Cl ZINC000007139142 170268565 /nfs/dbraw/zinc/26/85/65/170268565.db2.gz MFHWFODXVYZEMO-SNVBAGLBSA-N 0 1 299.761 3.707 20 0 CHADMN Cc1cccc(C)c1NS(=O)(=O)c1ccccc1Cl ZINC000007409061 170283443 /nfs/dbraw/zinc/28/34/43/170283443.db2.gz AVYMFNILTIXEJO-UHFFFAOYSA-N 0 1 295.791 3.758 20 0 CHADMN Cc1cccc(NC(=O)CN2[C@H](C)CCC[C@@H]2C)c1C ZINC000009997766 170393941 /nfs/dbraw/zinc/39/39/41/170393941.db2.gz PUZIMFPWKOKUBM-OKILXGFUSA-N 0 1 274.408 3.505 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)cc1F)c1ccncc1 ZINC000020121418 171000274 /nfs/dbraw/zinc/00/02/74/171000274.db2.gz VLYITEYGYWXQKV-QWRGUYRKSA-N 0 1 262.303 3.772 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@H](C)c1cccnc1 ZINC000020127802 171013546 /nfs/dbraw/zinc/01/35/46/171013546.db2.gz FNWQUIINKLGAMF-KGLIPLIRSA-N 0 1 270.376 3.810 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)c(F)c1)c1cccnc1 ZINC000020127743 171013665 /nfs/dbraw/zinc/01/36/65/171013665.db2.gz BGUZDIPVFIYRCB-GHMZBOCLSA-N 0 1 262.303 3.772 20 0 CHADMN COc1ccc(OC)c([C@@H](C)NCc2cccs2)c1 ZINC000020139165 171026178 /nfs/dbraw/zinc/02/61/78/171026178.db2.gz MFIKJNJSOCNRBI-LLVKDONJSA-N 0 1 277.389 3.616 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc(F)c1)c1cccc(O)c1 ZINC000020147937 171035331 /nfs/dbraw/zinc/03/53/31/171035331.db2.gz AIOASTIPDLDQCQ-RYUDHWBXSA-N 0 1 259.324 3.943 20 0 CHADMN C[C@H](NCc1ccc(Br)o1)c1cccs1 ZINC000020148212 171035725 /nfs/dbraw/zinc/03/57/25/171035725.db2.gz RUISOIPBHCOVDE-QMMMGPOBSA-N 0 1 286.194 3.954 20 0 CHADMN COc1ccc(C)cc1CNCc1ccc(Cl)cc1 ZINC000035161705 172021283 /nfs/dbraw/zinc/02/12/83/172021283.db2.gz UUZBMTLCFPZZJD-UHFFFAOYSA-N 0 1 275.779 3.947 20 0 CHADMN Oc1cccc2c1CC[C@H]2NCc1ccccc1Cl ZINC000036851938 172749540 /nfs/dbraw/zinc/74/95/40/172749540.db2.gz BRALNBFMXRZGCT-OAHLLOKOSA-N 0 1 273.763 3.823 20 0 CHADMN O=C(Nc1cnc2ccccc2c1)c1cc(Cl)ccc1O ZINC000038781048 174155415 /nfs/dbraw/zinc/15/54/15/174155415.db2.gz FXPJSVHZQFHYAG-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN Cc1nc(C)c([C@H](C)NCc2ccc(F)cc2F)s1 ZINC000040445955 174265119 /nfs/dbraw/zinc/26/51/19/174265119.db2.gz HJIUVIQQBXFABS-QMMMGPOBSA-N 0 1 282.359 3.889 20 0 CHADMN CC[C@H](C)N(C)Cc1sccc1Br ZINC000043677638 175088692 /nfs/dbraw/zinc/08/86/92/175088692.db2.gz QIEHCQZORWTMTC-QMMMGPOBSA-N 0 1 262.216 3.741 20 0 CHADMN CC(C)CN(C)Cc1sccc1Br ZINC000043677680 175089163 /nfs/dbraw/zinc/08/91/63/175089163.db2.gz SAXPTLKULLTKRU-UHFFFAOYSA-N 0 1 262.216 3.598 20 0 CHADMN Brc1csc(CN2CCCCCC2)c1 ZINC000043686941 175094398 /nfs/dbraw/zinc/09/43/98/175094398.db2.gz KNCVBUQJPKSFAU-UHFFFAOYSA-N 0 1 274.227 3.887 20 0 CHADMN C[C@@H](NCc1nc(-c2ccccc2)c[nH]1)c1ccccc1 ZINC000045255038 175336950 /nfs/dbraw/zinc/33/69/50/175336950.db2.gz VVQQKZGLWTWCLF-CQSZACIVSA-N 0 1 277.371 3.928 20 0 CHADMN c1ccc2oc(CN3CCCc4ccccc4C3)nc2c1 ZINC000171595568 335072252 /nfs/dbraw/zinc/07/22/52/335072252.db2.gz KLVAWANJHMOYPJ-UHFFFAOYSA-N 0 1 278.355 3.776 20 0 CHADMN c1ccc2c(c1)OCCC[C@H]2NCc1ccc2c(n1)CCC2 ZINC000575147002 335072724 /nfs/dbraw/zinc/07/27/24/335072724.db2.gz NCZXKXPCFZINJI-GOSISDBHSA-N 0 1 294.398 3.574 20 0 CHADMN Cc1ncsc1CN[C@H](C)c1cccc(Cl)c1 ZINC000071212407 176084083 /nfs/dbraw/zinc/08/40/83/176084083.db2.gz APYPKZLHJNVRCN-SECBINFHSA-N 0 1 266.797 3.956 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@@H](C)c1cnn(C)c1C ZINC000037167535 260072876 /nfs/dbraw/zinc/07/28/76/260072876.db2.gz PPUMFIMOXBOHQZ-OLZOCXBDSA-N 0 1 287.407 3.539 20 0 CHADMN Cc1c([C@H](C)N[C@@H]2CCSc3ccccc32)cnn1C ZINC000037167520 260073094 /nfs/dbraw/zinc/07/30/94/260073094.db2.gz SZCNFCOPAPYSGY-XHDPSFHLSA-N 0 1 287.432 3.616 20 0 CHADMN Cc1ccc2nc(NC(=O)c3csc(Cl)c3)[nH]c2c1 ZINC000344483610 225072123 /nfs/dbraw/zinc/07/21/23/225072123.db2.gz LTRIPOUBVOEMNL-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000334610053 225108625 /nfs/dbraw/zinc/10/86/25/225108625.db2.gz QNRNASONTOONFF-ABAIWWIYSA-N 0 1 293.794 3.514 20 0 CHADMN Cc1ccc(-c2nc(CN[C@H](C)Cc3ccoc3)co2)cc1 ZINC000344909138 225199989 /nfs/dbraw/zinc/19/99/89/225199989.db2.gz ZMOWHYOHGFEGAT-CQSZACIVSA-N 0 1 296.370 3.964 20 0 CHADMN FC1(F)CC(CN2CC3(CCC3)[C@@H]2c2ccco2)C1 ZINC000334700086 225279091 /nfs/dbraw/zinc/27/90/91/225279091.db2.gz UOBDHQMEQDBSQH-ZDUSSCGKSA-N 0 1 267.319 3.852 20 0 CHADMN C[C@@H](c1ccncc1F)N1CCC[C@@]2(CCSC2)C1 ZINC000334672723 225243460 /nfs/dbraw/zinc/24/34/60/225243460.db2.gz WYSWXYKHLMMLNG-SWLSCSKDSA-N 0 1 280.412 3.501 20 0 CHADMN C[C@H](N[C@@H]1CCCN(C)c2ccccc21)c1ccco1 ZINC000334685764 225249860 /nfs/dbraw/zinc/24/98/60/225249860.db2.gz BUJQHJSBRFYKAX-DZGCQCFKSA-N 0 1 270.376 3.902 20 0 CHADMN Cc1sccc1CN[C@@H]1CCOc2c(F)cccc21 ZINC000334942608 225371969 /nfs/dbraw/zinc/37/19/69/225371969.db2.gz TXXCOLAGNWYDTA-CQSZACIVSA-N 0 1 277.364 3.809 20 0 CHADMN Cc1ccc([C@H]2CCCCCN2Cc2ccc(C)nn2)o1 ZINC000334881461 225372577 /nfs/dbraw/zinc/37/25/77/225372577.db2.gz XDGPTVYMUPRORY-MRXNPFEDSA-N 0 1 285.391 3.804 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3sc(Cl)cc32)n(C)n1 ZINC000334928029 225365674 /nfs/dbraw/zinc/36/56/74/225365674.db2.gz ZRIJETWGEAJSGD-LBPRGKRZSA-N 0 1 295.839 3.611 20 0 CHADMN C[C@H](c1c(F)cccc1F)N(C)CC[C@@H]1CCCCO1 ZINC000347387147 226142154 /nfs/dbraw/zinc/14/21/54/226142154.db2.gz RHJCCTJNCYHGOI-OLZOCXBDSA-N 0 1 283.362 3.917 20 0 CHADMN c1c2ccccc2n2c1CN(CC[C@@H]1CCCCO1)CCC2 ZINC000347513091 226171887 /nfs/dbraw/zinc/17/18/87/226171887.db2.gz HKWPVCKFXLIOMO-SFHVURJKSA-N 0 1 298.430 3.806 20 0 CHADMN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1nccs1 ZINC000347591382 226211043 /nfs/dbraw/zinc/21/10/43/226211043.db2.gz ZMRPNVVHXSCKRB-NEPJUHHUSA-N 0 1 252.427 3.790 20 0 CHADMN Cc1ccnc(NCCc2c[nH]c3cc(F)ccc23)c1 ZINC000347744667 226376895 /nfs/dbraw/zinc/37/68/95/226376895.db2.gz VYSKUNRSVGNUOQ-UHFFFAOYSA-N 0 1 269.323 3.665 20 0 CHADMN Cc1cc(C(=O)CN2CCC[C@@H]2c2cccc(C)c2)c(C)[nH]1 ZINC000347989358 226399109 /nfs/dbraw/zinc/39/91/09/226399109.db2.gz HCMDOTFKEJVFGY-GOSISDBHSA-N 0 1 296.414 3.960 20 0 CHADMN CCCN(Cc1nc(-c2ccc(Cl)cc2)no1)C1CC1 ZINC000171681447 335074308 /nfs/dbraw/zinc/07/43/08/335074308.db2.gz HZNUNODVTDCLMD-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN CSc1ccccc1C[C@@H](C)N[C@@H](C)c1ccon1 ZINC000349855057 226870750 /nfs/dbraw/zinc/87/07/50/226870750.db2.gz BIBYLMUHJYDGNO-NEPJUHHUSA-N 0 1 276.405 3.678 20 0 CHADMN CCc1nocc1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000350396901 227005091 /nfs/dbraw/zinc/00/50/91/227005091.db2.gz SQYLFQYXFHNISN-UHFFFAOYSA-N 0 1 286.350 3.665 20 0 CHADMN CCc1nocc1CN1CC=C(c2ccc(F)cc2)CC1 ZINC000350396901 227005095 /nfs/dbraw/zinc/00/50/95/227005095.db2.gz SQYLFQYXFHNISN-UHFFFAOYSA-N 0 1 286.350 3.665 20 0 CHADMN FC(F)(F)c1cc(CN2CCCC23CCCCC3)[nH]n1 ZINC000442887324 227035279 /nfs/dbraw/zinc/03/52/79/227035279.db2.gz XSOCQILBBWALAX-UHFFFAOYSA-N 0 1 287.329 3.727 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN(C[C@H]2CC[C@@H](C)O2)C2CC2)o1 ZINC000354873689 227190765 /nfs/dbraw/zinc/19/07/65/227190765.db2.gz DGCZBMDAWDBJEZ-TZDHZFECSA-N 0 1 289.419 3.935 20 0 CHADMN Cc1ncc(CN2CCC[C@@H]3CCC[C@H]32)n1-c1ccccc1 ZINC000352728594 227191342 /nfs/dbraw/zinc/19/13/42/227191342.db2.gz ZQYHPDOLIVETNF-QFBILLFUSA-N 0 1 295.430 3.945 20 0 CHADMN Cc1cccc2nc(CNCc3ccc4occc4c3)cn21 ZINC000352766137 227200303 /nfs/dbraw/zinc/20/03/03/227200303.db2.gz LGMBQTDYEWUPRW-UHFFFAOYSA-N 0 1 291.354 3.679 20 0 CHADMN COc1ccnc(CN(C)CCC2CCCCC2)c1OC ZINC000354892547 227210842 /nfs/dbraw/zinc/21/08/42/227210842.db2.gz MZSLYHVHPLSMBD-UHFFFAOYSA-N 0 1 292.423 3.501 20 0 CHADMN C[C@@H]1CC[C@@H](c2ccccc2)N(CC(=O)c2cccn2C)C1 ZINC000352797742 227233566 /nfs/dbraw/zinc/23/35/66/227233566.db2.gz BORXTWFYALASKJ-WBVHZDCISA-N 0 1 296.414 3.681 20 0 CHADMN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1conc1C ZINC000352820105 227256638 /nfs/dbraw/zinc/25/66/38/227256638.db2.gz YMRCVSQYHINEFV-NHYWBVRUSA-N 0 1 294.782 3.502 20 0 CHADMN C[C@H]1c2cc(Cl)c(Cl)cc2CCN1Cc1cnc[nH]1 ZINC000355027249 227325138 /nfs/dbraw/zinc/32/51/38/227325138.db2.gz ZMJFKBPLENRSIR-VIFPVBQESA-N 0 1 296.201 3.836 20 0 CHADMN Cc1ccccc1CN(C)Cc1cc(Cl)cn1C ZINC000355100457 227396659 /nfs/dbraw/zinc/39/66/59/227396659.db2.gz HKGSNZBJGVUKKC-UHFFFAOYSA-N 0 1 262.784 3.619 20 0 CHADMN Cc1cc(NCc2ccccn2)c2cc(F)ccc2n1 ZINC000301652828 227626944 /nfs/dbraw/zinc/62/69/44/227626944.db2.gz GVFYUQCFQHBBLS-UHFFFAOYSA-N 0 1 267.307 3.689 20 0 CHADMN Cc1oc(C(C)C)cc1-c1nc(C2(N)CCCCC2)no1 ZINC000331520085 228109829 /nfs/dbraw/zinc/10/98/29/228109829.db2.gz DZZKJYISWLPWOY-UHFFFAOYSA-N 0 1 289.379 3.880 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@H](CCC(C)C)c1ccoc1 ZINC000353500069 228111253 /nfs/dbraw/zinc/11/12/53/228111253.db2.gz WBSUQFOPLILQIJ-QGZVFWFLSA-N 0 1 289.423 3.897 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)CC1CCCCCC1 ZINC000331568228 228112183 /nfs/dbraw/zinc/11/21/83/228112183.db2.gz PPNHRLJRWCGEFM-UHFFFAOYSA-N 0 1 285.338 3.955 20 0 CHADMN CCc1nnc(CN[C@H](C)CCC2CCCCC2)s1 ZINC000353540963 228116951 /nfs/dbraw/zinc/11/69/51/228116951.db2.gz QRZYGJDKSMJJDN-GFCCVEGCSA-N 0 1 281.469 3.939 20 0 CHADMN Cc1sccc1CN(C)Cc1ccccc1N(C)C ZINC000353549958 228119069 /nfs/dbraw/zinc/11/90/69/228119069.db2.gz MAAOQQOKNGPOKI-UHFFFAOYSA-N 0 1 274.433 3.755 20 0 CHADMN Clc1cccc(CN2CCC(OC3CCC3)CC2)c1 ZINC000418102360 228044557 /nfs/dbraw/zinc/04/45/57/228044557.db2.gz UYEGHRDNIXJYQS-UHFFFAOYSA-N 0 1 279.811 3.874 20 0 CHADMN C[C@H]1CCC[C@H](CC(=O)Nc2cccc(-c3nnc[nH]3)c2)C1 ZINC000114393148 228045440 /nfs/dbraw/zinc/04/54/40/228045440.db2.gz NSGPPYKPQAMBCN-STQMWFEESA-N 0 1 298.390 3.627 20 0 CHADMN c1ccc(-c2noc(CN[C@H]3CCC[C@@H](C4CC4)C3)n2)cc1 ZINC000330129747 228045469 /nfs/dbraw/zinc/04/54/69/228045469.db2.gz ONHBTUXZNLXZKM-CVEARBPZSA-N 0 1 297.402 3.795 20 0 CHADMN Cc1[nH]ncc1CNc1cc(Cl)ccc1OC(C)C ZINC000353197854 228068209 /nfs/dbraw/zinc/06/82/09/228068209.db2.gz XTBZXFMKSIRIDD-UHFFFAOYSA-N 0 1 279.771 3.771 20 0 CHADMN CCn1nccc1CN[C@@H](C)c1cc2cccc(F)c2o1 ZINC000353227590 228071913 /nfs/dbraw/zinc/07/19/13/228071913.db2.gz BHEWKJFYNDPYNA-NSHDSACASA-N 0 1 287.338 3.639 20 0 CHADMN Cc1cnn([C@@H]2CCN(Cc3cc(C)cc(Cl)c3)C2)c1 ZINC000353557907 228120336 /nfs/dbraw/zinc/12/03/36/228120336.db2.gz CGBDZOBDCGCBLK-MRXNPFEDSA-N 0 1 289.810 3.600 20 0 CHADMN Cc1nccc(CN(C)[C@H](c2ccc(F)cc2)C(C)C)n1 ZINC000353298764 228081953 /nfs/dbraw/zinc/08/19/53/228081953.db2.gz FNCNMTQKVJSMHP-KRWDZBQOSA-N 0 1 287.382 3.753 20 0 CHADMN COc1cccc(CN(C)[C@H](C)c2ccccc2C)n1 ZINC000353304252 228082582 /nfs/dbraw/zinc/08/25/82/228082582.db2.gz ODZUXPUXNJWBEC-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN c1cc2ccc(CN[C@H]3CCCOc4ccccc43)nc2[nH]1 ZINC000353609214 228130687 /nfs/dbraw/zinc/13/06/87/228130687.db2.gz JPRGGWZIDCCEEF-INIZCTEOSA-N 0 1 293.370 3.566 20 0 CHADMN FC(F)C1CCN(Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000353673381 228143176 /nfs/dbraw/zinc/14/31/76/228143176.db2.gz PFFUIHKOBFBBSF-UHFFFAOYSA-N 0 1 291.345 3.554 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN1CCC(C(F)F)CC1 ZINC000353721567 228148007 /nfs/dbraw/zinc/14/80/07/228148007.db2.gz QTLWOLJLGNKTSW-UHFFFAOYSA-N 0 1 299.409 3.732 20 0 CHADMN Cc1cccc(CN(C)Cc2cc(F)cc3cccnc32)n1 ZINC000353744440 228149573 /nfs/dbraw/zinc/14/95/73/228149573.db2.gz FHWBTPQXZHGUNC-UHFFFAOYSA-N 0 1 295.361 3.709 20 0 CHADMN NC(=O)C1(NCc2cc3ccccc3o2)CCCCC1 ZINC000332150741 228150491 /nfs/dbraw/zinc/15/04/91/228150491.db2.gz IOEQNMIMYACVKW-UHFFFAOYSA-N 0 1 272.348 3.761 20 0 CHADMN Fc1ccc(CN2CCC[C@]3(CCCOC3)C2)c(Cl)c1 ZINC000353769368 228152153 /nfs/dbraw/zinc/15/21/53/228152153.db2.gz ROMQIFFQBQMMLA-INIZCTEOSA-N 0 1 297.801 3.872 20 0 CHADMN C[C@@H]1c2ccccc2CN1Cc1cccc2c[nH]nc21 ZINC000353874944 228161390 /nfs/dbraw/zinc/16/13/90/228161390.db2.gz YQUAAKMNHJFQEH-GFCCVEGCSA-N 0 1 263.344 3.640 20 0 CHADMN Cc1cc(CN2CCOC(C)(C)[C@H]2C)c2ccccc2n1 ZINC000353876921 228161829 /nfs/dbraw/zinc/16/18/29/228161829.db2.gz ACDPZGWYLMZXKL-CQSZACIVSA-N 0 1 284.403 3.543 20 0 CHADMN CCn1nc(CN2CCC(C(F)F)CC2)c2ccccc21 ZINC000351998119 228173426 /nfs/dbraw/zinc/17/34/26/228173426.db2.gz XJKDVADDPYLXEG-UHFFFAOYSA-N 0 1 293.361 3.533 20 0 CHADMN Cc1cncc([C@@H](C)N[C@H]2CSc3ccccc32)c1 ZINC000336048585 228182333 /nfs/dbraw/zinc/18/23/33/228182333.db2.gz SLSRWUZTWZKLKB-DOMZBBRYSA-N 0 1 270.401 3.888 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2ccc3c(c2)CCC3)on1 ZINC000352097219 228182526 /nfs/dbraw/zinc/18/25/26/228182526.db2.gz PHOOAAZVQSMAJX-KRWDZBQOSA-N 0 1 282.387 3.809 20 0 CHADMN Cc1ncc(CN2CCC[C@@H](C(F)(F)F)[C@H]2C)s1 ZINC000336083314 228185412 /nfs/dbraw/zinc/18/54/12/228185412.db2.gz LHTDROZHAHORTB-LDYMZIIASA-N 0 1 278.343 3.614 20 0 CHADMN Cc1cc([C@@H]2CCCN2CC2=Cc3ccccc3OC2)on1 ZINC000336114386 228189966 /nfs/dbraw/zinc/18/99/66/228189966.db2.gz AUQQMVIPRUYVET-INIZCTEOSA-N 0 1 296.370 3.596 20 0 CHADMN C[C@H](C(=O)Nc1ccccc1)N1CCC(C)(C2CC2)CC1 ZINC000352175938 228191936 /nfs/dbraw/zinc/19/19/36/228191936.db2.gz JRZYPJUABNCBDR-CQSZACIVSA-N 0 1 286.419 3.526 20 0 CHADMN NC1(c2noc([C@@H]3C[C@H]3C3CCCCC3)n2)CCCCC1 ZINC000333585903 228205565 /nfs/dbraw/zinc/20/55/65/228205565.db2.gz OMGVTMCQCSSVSH-UONOGXRCSA-N 0 1 289.423 3.872 20 0 CHADMN C[C@H](NCc1ccc2occc2c1)c1ccccn1 ZINC000352246778 228206404 /nfs/dbraw/zinc/20/64/04/228206404.db2.gz SESAOQKVQCJCJO-LBPRGKRZSA-N 0 1 252.317 3.679 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N2CCCC3(CC3)C2)cc1C ZINC000352273118 228212155 /nfs/dbraw/zinc/21/21/55/228212155.db2.gz GYDOCFRLENTJKD-OAHLLOKOSA-N 0 1 286.419 3.506 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCCC2(CC2)C1 ZINC000352279844 228212591 /nfs/dbraw/zinc/21/25/91/228212591.db2.gz MJPGYHIVMQXREO-LLVKDONJSA-N 0 1 251.320 3.902 20 0 CHADMN Cc1ncccc1CN1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000336228130 228218067 /nfs/dbraw/zinc/21/80/67/228218067.db2.gz QBOQMFYUVRUFTH-MFKMUULPSA-N 0 1 272.314 3.553 20 0 CHADMN CCn1c(C)cc(C(=O)CN(C)C2CCCCC2)c1C ZINC000035018583 260004235 /nfs/dbraw/zinc/00/42/35/260004235.db2.gz OUNWHNQDPYVYEV-UHFFFAOYSA-N 0 1 276.424 3.572 20 0 CHADMN CCc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000179568779 260056060 /nfs/dbraw/zinc/05/60/60/260056060.db2.gz ISDADDMGLOOOBJ-SFHVURJKSA-N 0 1 266.388 3.981 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@H](C)c1cnn(C)c1C ZINC000037167537 260072575 /nfs/dbraw/zinc/07/25/75/260072575.db2.gz PPUMFIMOXBOHQZ-CHWSQXEVSA-N 0 1 287.407 3.539 20 0 CHADMN Cc1c([C@H](C)N[C@@H](C)c2cc3ccccc3o2)cnn1C ZINC000037167576 260072711 /nfs/dbraw/zinc/07/27/11/260072711.db2.gz RACPCUWKLLXDNV-RYUDHWBXSA-N 0 1 283.375 3.887 20 0 CHADMN CCOc1ncccc1CN[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000180080649 260092075 /nfs/dbraw/zinc/09/20/75/260092075.db2.gz MGHPHWAGWJQXNR-KDOFPFPSSA-N 0 1 296.414 3.812 20 0 CHADMN CC[C@H](NCc1cccnc1OC)c1ccc(Cl)cc1 ZINC000037650376 260115247 /nfs/dbraw/zinc/11/52/47/260115247.db2.gz MTQOFIVFGUFQDP-HNNXBMFYSA-N 0 1 290.794 3.985 20 0 CHADMN CCc1ccc([C@H](CC)NCc2cccnc2OC)cc1 ZINC000037650294 260115544 /nfs/dbraw/zinc/11/55/44/260115544.db2.gz XWHXAWPFNBZEHV-KRWDZBQOSA-N 0 1 284.403 3.894 20 0 CHADMN CC(C)CCOCCNCc1ccc(Cl)cc1F ZINC000160805366 260130773 /nfs/dbraw/zinc/13/07/73/260130773.db2.gz AMNPBLQEKSPHER-UHFFFAOYSA-N 0 1 273.779 3.631 20 0 CHADMN Cc1cc(CN2CCO[C@@H](C(C)(C)C)C2)c(C)s1 ZINC000447832570 260137571 /nfs/dbraw/zinc/13/75/71/260137571.db2.gz GRQGSMCTMVMKBX-CQSZACIVSA-N 0 1 267.438 3.612 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccccc1)c1cnc2ccsc2c1 ZINC000068692028 260145979 /nfs/dbraw/zinc/14/59/79/260145979.db2.gz RQZDKWQENXUBRH-WBMJQRKESA-N 0 1 298.411 3.681 20 0 CHADMN CC(C)C[C@H](N[C@H](C)c1cnccn1)c1ccccc1 ZINC000070544231 260157464 /nfs/dbraw/zinc/15/74/64/260157464.db2.gz DRPRFZPVIRAJCE-ZBFHGGJFSA-N 0 1 269.392 3.915 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2ccccc2Cl)s1 ZINC000037505305 260160927 /nfs/dbraw/zinc/16/09/27/260160927.db2.gz IVPAOXYXODEZKU-VIFPVBQESA-N 0 1 266.797 3.956 20 0 CHADMN CC[C@H](NCc1ccc(CO)o1)c1ccc(Cl)cc1 ZINC000077897829 260167449 /nfs/dbraw/zinc/16/74/49/260167449.db2.gz FRAFKWNWNYHKIA-HNNXBMFYSA-N 0 1 279.767 3.666 20 0 CHADMN C[C@H](NCc1cccc2c1OC(C)(C)C2)c1cccnc1 ZINC000078005672 260168078 /nfs/dbraw/zinc/16/80/78/260168078.db2.gz FSBPTADYJGUFFT-ZDUSSCGKSA-N 0 1 282.387 3.646 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@@H](C)c2ccccn2)s1 ZINC000040517607 260176778 /nfs/dbraw/zinc/17/67/78/260176778.db2.gz GVXWWMQNBHQTAT-UWVGGRQHSA-N 0 1 261.394 3.567 20 0 CHADMN Cc1nc(C)c(CN[C@@H](C)c2cc(F)ccc2F)s1 ZINC000080693171 260181433 /nfs/dbraw/zinc/18/14/33/260181433.db2.gz BDFUWANDUJGPRE-QMMMGPOBSA-N 0 1 282.359 3.889 20 0 CHADMN CSC[C@@H](C)NCc1cc(Cl)sc1Cl ZINC000312610032 260181488 /nfs/dbraw/zinc/18/14/88/260181488.db2.gz HPHJZEOQHBSTLR-ZCFIWIBFSA-N 0 1 270.250 3.896 20 0 CHADMN CCc1ccc([C@H](C)NCc2nc(C)cs2)s1 ZINC000041632139 260184382 /nfs/dbraw/zinc/18/43/82/260184382.db2.gz RNPOHAZLKRNMDB-JTQLQIEISA-N 0 1 266.435 3.926 20 0 CHADMN C[C@@H](N[C@@H](C)C[NH+]1CCCCC1)c1csc(Cl)c1 ZINC000230407914 260184485 /nfs/dbraw/zinc/18/44/85/260184485.db2.gz KIZLKHIEKIUMHW-NWDGAFQWSA-N 0 1 286.872 3.927 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cc2ccccc2o1 ZINC000086755023 260209658 /nfs/dbraw/zinc/20/96/58/260209658.db2.gz YWJNKOMTHUMZQG-CQSZACIVSA-N 0 1 287.359 3.652 20 0 CHADMN CC[C@H](N[C@H](C)c1cn(C)nc1C)c1ccccc1OC ZINC000087407906 260213981 /nfs/dbraw/zinc/21/39/81/260213981.db2.gz DHPBIJSMIOFTEY-WBMJQRKESA-N 0 1 287.407 3.539 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@@H](C)c2c(F)cccc2F)C12CCC2 ZINC000087710275 260218133 /nfs/dbraw/zinc/21/81/33/260218133.db2.gz RCXSQGXNBZBMRN-NILFDRSVSA-N 0 1 295.373 3.963 20 0 CHADMN COc1ccc(Br)c(CN(C)[C@H](C)C2CC2)c1 ZINC000087797977 260227716 /nfs/dbraw/zinc/22/77/16/260227716.db2.gz NUVDXDOMVLZIQM-SNVBAGLBSA-N 0 1 298.224 3.688 20 0 CHADMN COc1cc(C)nc(CN[C@@H]2CCCc3sccc32)c1 ZINC000214143299 260241100 /nfs/dbraw/zinc/24/11/00/260241100.db2.gz WIDRMEJUHYRINY-OAHLLOKOSA-N 0 1 288.416 3.627 20 0 CHADMN CC1(C)COC[C@@H]1NCc1cc(Cl)sc1Cl ZINC000313120528 260250524 /nfs/dbraw/zinc/25/05/24/260250524.db2.gz KRIWJMRYAAGBRE-QMMMGPOBSA-N 0 1 280.220 3.570 20 0 CHADMN CCCOc1cccc(CNCc2cnc(C)s2)c1 ZINC000040443722 260255232 /nfs/dbraw/zinc/25/52/32/260255232.db2.gz SLBWVCRXCZLNJK-UHFFFAOYSA-N 0 1 276.405 3.530 20 0 CHADMN C[C@@H](NCc1cccc2cccnc21)c1ccc(F)cn1 ZINC000092196572 260268704 /nfs/dbraw/zinc/26/87/04/260268704.db2.gz MSCMBMMSPCJMGA-GFCCVEGCSA-N 0 1 281.334 3.620 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1ccc(C)c(C)c1 ZINC000092329099 260269502 /nfs/dbraw/zinc/26/95/02/260269502.db2.gz FOFIYAKIENJUDS-GFCCVEGCSA-N 0 1 258.365 3.759 20 0 CHADMN Clc1ccccc1CNCc1ccccc1-n1cccn1 ZINC000040495406 260281861 /nfs/dbraw/zinc/28/18/61/260281861.db2.gz CVXUKTJZSHPJSV-UHFFFAOYSA-N 0 1 297.789 3.816 20 0 CHADMN c1cc(-c2noc(CN3CCC[C@@H]4CCC[C@@H]43)n2)cs1 ZINC000075769041 260292157 /nfs/dbraw/zinc/29/21/57/260292157.db2.gz IDNCWUCDACKSSN-AAEUAGOBSA-N 0 1 289.404 3.563 20 0 CHADMN Clc1ccc2nc(SCc3nccs3)[nH]c2c1 ZINC000162357218 260293196 /nfs/dbraw/zinc/29/31/96/260293196.db2.gz LYVVNAOIXPDNPC-UHFFFAOYSA-N 0 1 281.793 3.965 20 0 CHADMN COCc1ccc(CN[C@H](C)c2ccc(C)cc2)o1 ZINC000125812786 260344171 /nfs/dbraw/zinc/34/41/71/260344171.db2.gz LAVWQXSKSDPPJF-CYBMUJFWSA-N 0 1 259.349 3.585 20 0 CHADMN C[C@@H](c1ccc(Br)cc1)N1CCCCC1 ZINC000083442670 260350690 /nfs/dbraw/zinc/35/06/90/260350690.db2.gz BDISBPIAIZBDKU-NSHDSACASA-N 0 1 268.198 3.996 20 0 CHADMN Cc1nccc(CN[C@H](C)c2cc3ccccc3s2)n1 ZINC000126496163 260352869 /nfs/dbraw/zinc/35/28/69/260352869.db2.gz URYGKUBFRLKIRN-LLVKDONJSA-N 0 1 283.400 3.851 20 0 CHADMN COc1ccc(CN2CCC[C@@H]2c2ccc(C)s2)cn1 ZINC000085819818 260379902 /nfs/dbraw/zinc/37/99/02/260379902.db2.gz CYCOVEGYVMCALW-CQSZACIVSA-N 0 1 288.416 3.797 20 0 CHADMN Cc1ccc(CNCc2ccc(F)cc2C(F)(F)F)cn1 ZINC000129449202 260387290 /nfs/dbraw/zinc/38/72/90/260387290.db2.gz WOQFNRDTSSSJQK-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN COC(=O)c1coc(CN[C@@H](C)c2cc(C)sc2C)c1 ZINC000130430160 260396274 /nfs/dbraw/zinc/39/62/74/260396274.db2.gz OFOKQDKBJBCZNG-JTQLQIEISA-N 0 1 293.388 3.595 20 0 CHADMN C[C@H](NCCOc1ccccc1C(C)(C)C)c1cnccn1 ZINC000089555327 260445378 /nfs/dbraw/zinc/44/53/78/260445378.db2.gz QMVCNRXBBQKXCX-AWEZNQCLSA-N 0 1 299.418 3.504 20 0 CHADMN Fc1cc([C@@H]2OCC[C@H]2NCc2ccco2)ccc1Cl ZINC000091068970 260472081 /nfs/dbraw/zinc/47/20/81/260472081.db2.gz VNFCGSLHNVTFGS-CABCVRRESA-N 0 1 295.741 3.692 20 0 CHADMN CC[C@H](NCc1cn2ccccc2n1)c1cccs1 ZINC000042322715 260614877 /nfs/dbraw/zinc/61/48/77/260614877.db2.gz QRKRAQMENGRGAP-ZDUSSCGKSA-N 0 1 271.389 3.637 20 0 CHADMN Cc1nc(CN2C[C@H](C(C)C)[C@@H]2C(C)C)cs1 ZINC000449551710 260725066 /nfs/dbraw/zinc/72/50/66/260725066.db2.gz HCXZJLGHEKLLAX-KGLIPLIRSA-N 0 1 252.427 3.564 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](C)c2cccc(OC(C)C)c2)cn1 ZINC000427824426 260848232 /nfs/dbraw/zinc/84/82/32/260848232.db2.gz IWIYQMOHDIEKFY-CABCVRRESA-N 0 1 299.418 3.984 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H](C)c2ccc(OC(C)C)cc2)cn1 ZINC000427835151 260853576 /nfs/dbraw/zinc/85/35/76/260853576.db2.gz LKYIHBSOPPBEDP-HUUCEWRRSA-N 0 1 299.418 3.984 20 0 CHADMN CCc1nc2c(s1)[C@H](N(C)Cc1ccccn1)CCC2 ZINC000152578644 261065871 /nfs/dbraw/zinc/06/58/71/261065871.db2.gz SKKHRXCQMLAFKW-CQSZACIVSA-N 0 1 287.432 3.610 20 0 CHADMN C[C@H](NC[C@H]1CCCO1)c1nc(-c2ccccc2)cs1 ZINC000153143270 261074013 /nfs/dbraw/zinc/07/40/13/261074013.db2.gz SMNRIPBFZWQFSO-GXTWGEPZSA-N 0 1 288.416 3.640 20 0 CHADMN C[C@@H](N[C@@H]1CCCOC1)c1nc(-c2ccccc2)cs1 ZINC000153472998 261078957 /nfs/dbraw/zinc/07/89/57/261078957.db2.gz HVSJEPXDTRSJPL-TZMCWYRMSA-N 0 1 288.416 3.640 20 0 CHADMN CCc1nc(C)c([C@@H](C)NCc2cccc(O)c2)s1 ZINC000154395930 261091225 /nfs/dbraw/zinc/09/12/25/261091225.db2.gz IPJRKLBFGKZDNR-SNVBAGLBSA-N 0 1 276.405 3.570 20 0 CHADMN C[C@@H](NCc1cc(N(C)C)nc2ccccc12)c1ccco1 ZINC000154478531 261092190 /nfs/dbraw/zinc/09/21/90/261092190.db2.gz NKRLATXUSMZTHT-CYBMUJFWSA-N 0 1 295.386 3.745 20 0 CHADMN CN(Cc1nnc(-c2ccccc2)s1)C1CCCCC1 ZINC000155089258 261097759 /nfs/dbraw/zinc/09/77/59/261097759.db2.gz FKZQCVIIMJUMFE-UHFFFAOYSA-N 0 1 287.432 3.970 20 0 CHADMN CC[C@H](c1ccccc1)N(CC)Cc1c(C)nnn1CC ZINC000449015926 261097912 /nfs/dbraw/zinc/09/79/12/261097912.db2.gz UJPBYLQTGJEEKD-MRXNPFEDSA-N 0 1 286.423 3.580 20 0 CHADMN CC(C)(C)c1cnc(CN2CC[C@H]3CCC[C@@H]32)s1 ZINC000448333494 261117368 /nfs/dbraw/zinc/11/73/68/261117368.db2.gz CDVBHAWEEZENOK-NEPJUHHUSA-N 0 1 264.438 3.815 20 0 CHADMN COC[C@@H](N[C@@H]1CCCc2ccccc21)c1ccc(C)o1 ZINC000156494305 261124559 /nfs/dbraw/zinc/12/45/59/261124559.db2.gz CQJZWXVIPCDKTO-IAGOWNOFSA-N 0 1 285.387 3.943 20 0 CHADMN C[C@H](N[C@@H]1CCCOc2ccccc21)c1ccncc1 ZINC000156552649 261125249 /nfs/dbraw/zinc/12/52/49/261125249.db2.gz HYUGJVLXEXBPEH-XJKSGUPXSA-N 0 1 268.360 3.646 20 0 CHADMN CCC[C@]1(CO)CCCN1Cc1ncc(C(C)(C)C)s1 ZINC000448365056 261129036 /nfs/dbraw/zinc/12/90/36/261129036.db2.gz WKHYMOAOIUSZEG-MRXNPFEDSA-N 0 1 296.480 3.568 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCCN1Cc1ncc(C(C)(C)C)s1 ZINC000448372789 261132108 /nfs/dbraw/zinc/13/21/08/261132108.db2.gz PHFCYALOJJWTHQ-OLZOCXBDSA-N 0 1 296.480 3.566 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@@H+](CCCC(=O)[O-])C1CC1 ZINC000157769080 261151562 /nfs/dbraw/zinc/15/15/62/261151562.db2.gz RMBDEIBDCUFNJL-LLVKDONJSA-N 0 1 281.783 3.730 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2cccs2)cc1O ZINC000157823876 261153039 /nfs/dbraw/zinc/15/30/39/261153039.db2.gz FLTQHUKCOUKDIO-LLVKDONJSA-N 0 1 277.389 3.655 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N(C)CCc1nccs1 ZINC000157817512 261153144 /nfs/dbraw/zinc/15/31/44/261153144.db2.gz YXBDUCVLCUWCNV-JTQLQIEISA-N 0 1 282.359 3.657 20 0 CHADMN COCc1cccc(CN[C@@H](C)c2cccnc2Cl)c1 ZINC000158526580 261166586 /nfs/dbraw/zinc/16/65/86/261166586.db2.gz MYYNULQPSZSNMF-LBPRGKRZSA-N 0 1 290.794 3.732 20 0 CHADMN Cc1cc([C@@H](NCc2ccccn2)C2CC2)ccc1F ZINC000158725901 261170187 /nfs/dbraw/zinc/17/01/87/261170187.db2.gz NLVCVBMXOGRNTM-KRWDZBQOSA-N 0 1 270.351 3.770 20 0 CHADMN Cn1ccnc1[C@@H](NCCC(C)(C)C)c1cccc(F)c1 ZINC000162353267 261278626 /nfs/dbraw/zinc/27/86/26/261278626.db2.gz LYVBSNVPAOFWNI-HNNXBMFYSA-N 0 1 289.398 3.674 20 0 CHADMN Cc1nccc(CN2CC[C@H](C)[C@@H]2c2cccc(F)c2)n1 ZINC000368448625 261283827 /nfs/dbraw/zinc/28/38/27/261283827.db2.gz CNORMIKAUBNAFY-YVEFUNNKSA-N 0 1 285.366 3.507 20 0 CHADMN CCc1noc(C)c1CN1CCC[C@@H]1c1ccsc1 ZINC000162851336 261296512 /nfs/dbraw/zinc/29/65/12/261296512.db2.gz RJLUCMGLLXGZIB-OAHLLOKOSA-N 0 1 276.405 3.944 20 0 CHADMN C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000176609751 261299688 /nfs/dbraw/zinc/29/96/88/261299688.db2.gz IWPOTENHXGHXIC-MNOVXSKESA-N 0 1 281.783 3.696 20 0 CHADMN COC(=O)c1ccccc1C[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000514083661 261322665 /nfs/dbraw/zinc/32/26/65/261322665.db2.gz MAJCNEPUZQLXQA-OAHLLOKOSA-N 0 1 297.398 3.709 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN(C)[C@H](C)C1(C)CC1 ZINC000177245550 261342041 /nfs/dbraw/zinc/34/20/41/261342041.db2.gz ZXAVZEUEXWJDNI-GFCCVEGCSA-N 0 1 294.826 3.707 20 0 CHADMN Cc1ncc(CN2CCC(OCC3CCCC3)CC2)s1 ZINC000177498718 261358270 /nfs/dbraw/zinc/35/82/70/261358270.db2.gz ITIRSYBDBNZWIO-UHFFFAOYSA-N 0 1 294.464 3.623 20 0 CHADMN CC(C)n1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000177553023 261361373 /nfs/dbraw/zinc/36/13/73/261361373.db2.gz IPYBVFFALACRDP-YJBOKZPZSA-N 0 1 283.419 3.842 20 0 CHADMN CC(C)n1ccc(C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)n1 ZINC000177552980 261361489 /nfs/dbraw/zinc/36/14/89/261361489.db2.gz IPYBVFFALACRDP-CRAIPNDOSA-N 0 1 283.419 3.842 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CC[C@@H](C)[C@@H]1C ZINC000177884083 261371554 /nfs/dbraw/zinc/37/15/54/261371554.db2.gz SKPWZRPJCFLMOX-OLZOCXBDSA-N 0 1 275.392 3.518 20 0 CHADMN C[C@@H](NCc1ccc(Cl)nc1)c1ccsc1 ZINC000166642217 261392273 /nfs/dbraw/zinc/39/22/73/261392273.db2.gz XCFKSCGBPHFXQP-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN CCc1noc(CC)c1CN[C@H]1c2ccccc2C[C@H]1C ZINC000166955072 261395877 /nfs/dbraw/zinc/39/58/77/261395877.db2.gz FBXNFISEAKRGRO-KZULUSFZSA-N 0 1 284.403 3.823 20 0 CHADMN C(c1nc(C2CCCC2)no1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000178578337 261398235 /nfs/dbraw/zinc/39/82/35/261398235.db2.gz PVTBHBUCMSUQNV-ZFWWWQNUSA-N 0 1 289.423 3.882 20 0 CHADMN Fc1ccc(/C=C/CN[C@@H]2COc3ccc(F)cc32)cc1 ZINC000466465130 261409336 /nfs/dbraw/zinc/40/93/36/261409336.db2.gz UCBGDBFPRQRBLQ-XGBNDESESA-N 0 1 287.309 3.701 20 0 CHADMN CC[C@@H](NCc1cccc(O)c1)c1ccccc1F ZINC000180389274 261422233 /nfs/dbraw/zinc/42/22/33/261422233.db2.gz QLVRPOBAWYNKDG-MRXNPFEDSA-N 0 1 259.324 3.772 20 0 CHADMN C[C@H](NCCOCc1ccc(Cl)cc1)c1ccco1 ZINC000087096914 261724815 /nfs/dbraw/zinc/72/48/15/261724815.db2.gz ZDMBDIMPEOTOOG-LBPRGKRZSA-N 0 1 279.767 3.800 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(Cn3cccn3)cc2)o1 ZINC000178506389 261746155 /nfs/dbraw/zinc/74/61/55/261746155.db2.gz JTTASWQVGABXPU-OAHLLOKOSA-N 0 1 295.386 3.684 20 0 CHADMN CCC[C@@H]([NH2+]Cc1csc(C2CCCCC2)n1)C(=O)[O-] ZINC000185055353 262039025 /nfs/dbraw/zinc/03/90/25/262039025.db2.gz HNHRKOAAROVYKO-CYBMUJFWSA-N 0 1 296.436 3.534 20 0 CHADMN CCC[C@@H](NCc1ccc(Cl)nc1)c1cccnc1 ZINC000185073930 262040063 /nfs/dbraw/zinc/04/00/63/262040063.db2.gz NXYLSSXJSSNOFK-CQSZACIVSA-N 0 1 275.783 3.761 20 0 CHADMN CCSc1cccc(CN[C@H]2c3ccccc3C[C@H]2O)c1 ZINC000185509862 262057917 /nfs/dbraw/zinc/05/79/17/262057917.db2.gz SHMGJSMEHZDNGC-MSOLQXFVSA-N 0 1 299.439 3.547 20 0 CHADMN CCOC(C)(C)CNCc1csc(-c2ccsc2)n1 ZINC000186541680 262097829 /nfs/dbraw/zinc/09/78/29/262097829.db2.gz BONPEBRGIKDOAT-UHFFFAOYSA-N 0 1 296.461 3.776 20 0 CHADMN Cc1ccc([C@@H](N[C@H](CCO)c2ccco2)C2CC2)cc1 ZINC000186549546 262098241 /nfs/dbraw/zinc/09/82/41/262098241.db2.gz NIQWTWPCCWMKRN-SJLPKXTDSA-N 0 1 285.387 3.752 20 0 CHADMN c1csc([C@@H]2CSCCN2C[C@H]2CC=CCC2)n1 ZINC000186652790 262104367 /nfs/dbraw/zinc/10/43/67/262104367.db2.gz OMOXWPLDIQHXJL-STQMWFEESA-N 0 1 280.462 3.589 20 0 CHADMN C[C@@H](c1nc(-c2ccccc2)no1)N1CCCC2(CC2)C1 ZINC000186978267 262119154 /nfs/dbraw/zinc/11/91/54/262119154.db2.gz BAZJBWYRIQIDFI-ZDUSSCGKSA-N 0 1 283.375 3.674 20 0 CHADMN Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CCCC(C)(C)C1 ZINC000497372551 262148735 /nfs/dbraw/zinc/14/87/35/262148735.db2.gz TYGYNLTXXADQJK-CYBMUJFWSA-N 0 1 292.398 3.583 20 0 CHADMN CCc1ccccc1NC(=O)[C@@H](C)N1CCCC(C)(C)C1 ZINC000497373650 262148899 /nfs/dbraw/zinc/14/88/99/262148899.db2.gz ZXAQXNAZVGCKFR-CQSZACIVSA-N 0 1 288.435 3.698 20 0 CHADMN CC1(C)CCCN(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000497424820 262159159 /nfs/dbraw/zinc/15/91/59/262159159.db2.gz DICNDBLCUKPKOK-UHFFFAOYSA-N 0 1 295.810 3.733 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1ccc(OC)cc1 ZINC000019909231 262204499 /nfs/dbraw/zinc/20/44/99/262204499.db2.gz XYUAUCNHLWYZAI-CQSZACIVSA-N 0 1 285.387 3.945 20 0 CHADMN Fc1ccc(CNCc2ccccc2OC(F)F)cc1 ZINC000019944029 262207553 /nfs/dbraw/zinc/20/75/53/262207553.db2.gz BHUYMUGRSKHNOL-UHFFFAOYSA-N 0 1 281.277 3.717 20 0 CHADMN C[C@@H](NCc1ccccc1OC(F)F)c1ccncc1 ZINC000020131634 262230347 /nfs/dbraw/zinc/23/03/47/262230347.db2.gz ZUPOLHIXMIFSSX-LLVKDONJSA-N 0 1 278.302 3.534 20 0 CHADMN Cc1ccc(CNCc2ccccc2OC(F)F)s1 ZINC000020131731 262230525 /nfs/dbraw/zinc/23/05/25/262230525.db2.gz FFAYCUBLPVBNGR-UHFFFAOYSA-N 0 1 283.343 3.948 20 0 CHADMN CN(CCCF)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000364459460 262244239 /nfs/dbraw/zinc/24/42/39/262244239.db2.gz RRKDRRCGCIWFCC-HNNXBMFYSA-N 0 1 293.773 3.511 20 0 CHADMN C[C@@H](NC1(c2cccc(F)c2)CC1)c1cccc(O)c1 ZINC000194947234 262244373 /nfs/dbraw/zinc/24/43/73/262244373.db2.gz WPOSQBCWWBDFGZ-GFCCVEGCSA-N 0 1 271.335 3.871 20 0 CHADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(F)c2)c1 ZINC000498009631 262246053 /nfs/dbraw/zinc/24/60/53/262246053.db2.gz UIZAZADSVZQVIF-UHFFFAOYSA-N 0 1 299.754 3.588 20 0 CHADMN c1ccc2c(c1)cccc2-c1noc([C@H]2CCCCN2)n1 ZINC000054438364 262269426 /nfs/dbraw/zinc/26/94/26/262269426.db2.gz PDYIGJZKYHIAJW-OAHLLOKOSA-N 0 1 279.343 3.704 20 0 CHADMN C[C@@H](NCc1nc(CCc2ccccc2)no1)C1CCCC1 ZINC000184663608 262290777 /nfs/dbraw/zinc/29/07/77/262290777.db2.gz BWBMKVXSNKDSRD-CQSZACIVSA-N 0 1 299.418 3.523 20 0 CHADMN O=C(Nc1ccc(F)cc1)c1c[nH]nc1-c1ccsc1 ZINC000186929489 262329601 /nfs/dbraw/zinc/32/96/01/262329601.db2.gz PBCAECYJALIVSB-UHFFFAOYSA-N 0 1 287.319 3.530 20 0 CHADMN COc1cc(CNCc2ccc(Cl)c(Cl)c2)ccn1 ZINC000057395056 262348913 /nfs/dbraw/zinc/34/89/13/262348913.db2.gz RBYFILKQONJVTE-UHFFFAOYSA-N 0 1 297.185 3.687 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H]1CCCc2ccccc21 ZINC000187100572 262379964 /nfs/dbraw/zinc/37/99/64/262379964.db2.gz KXAQLDVQNZDHLR-GUYCJALGSA-N 0 1 282.387 3.818 20 0 CHADMN CC(C)[C@@H]1CCN([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000446729858 262380238 /nfs/dbraw/zinc/38/02/38/262380238.db2.gz XKGHNKJCRCLBJR-NWDGAFQWSA-N 0 1 291.420 3.837 20 0 CHADMN CC(C)(C)CCN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000446756548 262389819 /nfs/dbraw/zinc/38/98/19/262389819.db2.gz JUTCPIDQSWVDEE-CQSZACIVSA-N 0 1 275.371 3.664 20 0 CHADMN CCC[C@@H]1CN(Cc2ccc3nc(C)ccc3c2)CCO1 ZINC000187318477 262399466 /nfs/dbraw/zinc/39/94/66/262399466.db2.gz XTVZCAGPXKOLBT-QGZVFWFLSA-N 0 1 284.403 3.544 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@@H](C)c1ccn(C)n1 ZINC000414175484 262814400 /nfs/dbraw/zinc/81/44/00/262814400.db2.gz IHQHTVWIXBXXDO-WWGRRREGSA-N 0 1 269.392 3.628 20 0 CHADMN CC[C@@H](NCc1cnc(C)o1)c1ccc(OC(F)F)cc1 ZINC000414177999 262814718 /nfs/dbraw/zinc/81/47/18/262814718.db2.gz JOXVOJGRMNVPQK-CQSZACIVSA-N 0 1 296.317 3.825 20 0 CHADMN Cc1ncc(CN[C@H](C)c2cccc(C3CC3)c2)o1 ZINC000414178456 262814728 /nfs/dbraw/zinc/81/47/28/262814728.db2.gz JWQAGNKRITVTPH-LLVKDONJSA-N 0 1 256.349 3.711 20 0 CHADMN CCc1ncc(CN[C@H](C)c2cccc(Cl)c2)cn1 ZINC000414275433 262834293 /nfs/dbraw/zinc/83/42/93/262834293.db2.gz TXLUMGBCIZSOTN-LLVKDONJSA-N 0 1 275.783 3.543 20 0 CHADMN CCCC1CCC(CN[C@H](C)c2csnn2)CC1 ZINC000414551985 262990791 /nfs/dbraw/zinc/99/07/91/262990791.db2.gz QLHIKVHONJKZBV-PNESKVBLSA-N 0 1 267.442 3.795 20 0 CHADMN O=C(CCN1CCC[C@@H]1c1ccc[nH]1)c1ccc(F)cc1 ZINC000272235210 263002785 /nfs/dbraw/zinc/00/27/85/263002785.db2.gz JHRKRGSXPLZIGU-MRXNPFEDSA-N 0 1 286.350 3.564 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN[C@@H]2C[C@H]2c2ccco2)o1 ZINC000414599139 263004636 /nfs/dbraw/zinc/00/46/36/263004636.db2.gz ZHJUTMBKPOYDLN-IGHBBLSQSA-N 0 1 257.333 3.642 20 0 CHADMN CC[C@H](N[C@H](CO)c1ccc(F)cc1)c1ccccc1F ZINC000272532965 263005821 /nfs/dbraw/zinc/00/58/21/263005821.db2.gz ZUOYLMUDEUWMEE-DLBZAZTESA-N 0 1 291.341 3.739 20 0 CHADMN C/C(=C\c1ccc(C)cc1)c1nc([C@@H](N)CC(C)C)no1 ZINC000414609990 263009116 /nfs/dbraw/zinc/00/91/16/263009116.db2.gz AINZWLSARHOPMQ-VOMSXAGXSA-N 0 1 285.391 3.984 20 0 CHADMN Cc1ccccc1C1(c2nc([C@H](N)CC(C)C)no2)CCC1 ZINC000414616894 263010608 /nfs/dbraw/zinc/01/06/08/263010608.db2.gz KULQNISYXUWOHJ-OAHLLOKOSA-N 0 1 299.418 3.894 20 0 CHADMN CC(C)C[C@H](N)c1noc(C2=CCC(C)(C)CC2)n1 ZINC000414617462 263012028 /nfs/dbraw/zinc/01/20/28/263012028.db2.gz ISUFBHUDSQHMPJ-LBPRGKRZSA-N 0 1 263.385 3.709 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H]2CC23CCCCC3)n1 ZINC000414621342 263013730 /nfs/dbraw/zinc/01/37/30/263013730.db2.gz MAXWXKZUTYNGKL-NWDGAFQWSA-N 0 1 263.385 3.553 20 0 CHADMN CC(C)C[C@H](N)c1noc(Cc2cccc(C(F)F)c2)n1 ZINC000414623000 263014988 /nfs/dbraw/zinc/01/49/88/263014988.db2.gz MXNIADHHWWDBQP-LBPRGKRZSA-N 0 1 295.333 3.644 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cccc(C(F)F)c2)n1 ZINC000414622756 263014992 /nfs/dbraw/zinc/01/49/92/263014992.db2.gz SRXBBXDRLIUTDH-LLVKDONJSA-N 0 1 281.306 3.720 20 0 CHADMN CCn1c(-c2nc([C@@H](N)CC(C)C)no2)cc2ccccc21 ZINC000414623780 263015116 /nfs/dbraw/zinc/01/51/16/263015116.db2.gz USLGMWXBECKGHC-ZDUSSCGKSA-N 0 1 298.390 3.757 20 0 CHADMN Cc1ccc(-c2nc([C@@H](N)CC(C)C)no2)c(Cl)c1 ZINC000414627703 263016752 /nfs/dbraw/zinc/01/67/52/263016752.db2.gz ZPHSKMHXUCTAKI-LBPRGKRZSA-N 0 1 279.771 3.744 20 0 CHADMN COc1ccc(-c2cnc(CN3CC(C)=C[C@H](C)C3)o2)cc1 ZINC000430267002 263016909 /nfs/dbraw/zinc/01/69/09/263016909.db2.gz ZNTICHCONQGDJB-ZDUSSCGKSA-N 0 1 298.386 3.748 20 0 CHADMN CCCCN(Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430281486 263027652 /nfs/dbraw/zinc/02/76/52/263027652.db2.gz SAVOJXKGYTXEGC-UHFFFAOYSA-N 0 1 291.826 3.876 20 0 CHADMN Fc1ccc(CN2CCC[C@H]2c2ccccc2)nc1 ZINC000276330553 263036234 /nfs/dbraw/zinc/03/62/34/263036234.db2.gz GRTXSJPJKBEJBE-INIZCTEOSA-N 0 1 256.324 3.558 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]2c2ccccc2)nc1 ZINC000276330555 263036370 /nfs/dbraw/zinc/03/63/70/263036370.db2.gz GRTXSJPJKBEJBE-MRXNPFEDSA-N 0 1 256.324 3.558 20 0 CHADMN Cc1noc(C)c1CNCc1ccc(C2CCC2)cc1 ZINC000276991020 263039158 /nfs/dbraw/zinc/03/91/58/263039158.db2.gz USLZEGSITFKQIO-UHFFFAOYSA-N 0 1 270.376 3.849 20 0 CHADMN Cc1nnc([C@H](C)N[C@@H](C)Cc2cccc(Cl)c2)s1 ZINC000282691895 263078011 /nfs/dbraw/zinc/07/80/11/263078011.db2.gz PJDSLOYNBMRFMT-UWVGGRQHSA-N 0 1 295.839 3.782 20 0 CHADMN Cc1cc([C@H](C)NCc2cnc([C@@H](C)O)s2)c(C)s1 ZINC000289308449 263108894 /nfs/dbraw/zinc/10/88/94/263108894.db2.gz RTRWCNXKSQTWIB-VHSXEESVSA-N 0 1 296.461 3.726 20 0 CHADMN CC[C@@H](N[C@H](CO)c1cccc(F)c1)c1ccsc1 ZINC000453144314 263195776 /nfs/dbraw/zinc/19/57/76/263195776.db2.gz MDDJBUUYWMHAGE-HUUCEWRRSA-N 0 1 279.380 3.662 20 0 CHADMN CCc1nc(C)c([C@@H](C)NCc2cnccc2C)s1 ZINC000453335329 263240182 /nfs/dbraw/zinc/24/01/82/263240182.db2.gz XYHCBEDDJBJSJS-LLVKDONJSA-N 0 1 275.421 3.568 20 0 CHADMN COc1ccc([C@H](N[C@@H](C)c2nccnc2C)C2CC2)cc1 ZINC000187717001 263267192 /nfs/dbraw/zinc/26/71/92/263267192.db2.gz XPTGZZIDUZRALY-SCLBCKFNSA-N 0 1 297.402 3.596 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@@H]2CCC(C)(C)O2)cs1 ZINC000187853269 263274086 /nfs/dbraw/zinc/27/40/86/263274086.db2.gz PAQSGSHJUFRWML-NEPJUHHUSA-N 0 1 282.453 3.875 20 0 CHADMN C[C@@H]1C[C@@H]1CN1CCC[C@@H]1c1ccc(Br)cn1 ZINC000453611479 263281732 /nfs/dbraw/zinc/28/17/32/263281732.db2.gz KSKFUZZUOLXADD-JTNHKYCSSA-N 0 1 295.224 3.637 20 0 CHADMN COc1cc(C)nc(CN2CCC=C(c3ccccc3)C2)c1 ZINC000341998643 263373522 /nfs/dbraw/zinc/37/35/22/263373522.db2.gz VHLGLFPJFPKZCL-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN Cn1ccc(CN[C@H](CC(F)(F)F)c2ccccc2)c1 ZINC000343063544 263586849 /nfs/dbraw/zinc/58/68/49/263586849.db2.gz IBGWIHSBKFMSMW-CQSZACIVSA-N 0 1 282.309 3.808 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2ccc(C)s2)on1 ZINC000334373675 263606202 /nfs/dbraw/zinc/60/62/02/263606202.db2.gz CKIUFTQNOJOOLA-CYBMUJFWSA-N 0 1 262.378 3.690 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2nccnc2C)cc1F ZINC000188136483 263681617 /nfs/dbraw/zinc/68/16/17/263681617.db2.gz LZEIVEWAMRDKBM-WCQYABFASA-N 0 1 273.355 3.644 20 0 CHADMN COC1CCC(N(C)Cc2c(F)cc(C)cc2F)CC1 ZINC000425334862 264011954 /nfs/dbraw/zinc/01/19/54/264011954.db2.gz HLSPKSNOADSARK-UHFFFAOYSA-N 0 1 283.362 3.663 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H](CC(N)=O)C2CCCCC2)o1 ZINC000330866191 264058148 /nfs/dbraw/zinc/05/81/48/264058148.db2.gz RTHXWSSGYDVYJF-AAEUAGOBSA-N 0 1 279.384 3.508 20 0 CHADMN C[C@@](NC[C@@H]1CCCCC1(F)F)(C(N)=O)c1ccccc1 ZINC000331340950 264195138 /nfs/dbraw/zinc/19/51/38/264195138.db2.gz SJGWZTSRWGWZBU-ZFWWWQNUSA-N 0 1 296.361 3.852 20 0 CHADMN CC(C)COc1ccc(CN2CC(CC(F)F)C2)cc1 ZINC000425369275 264213152 /nfs/dbraw/zinc/21/31/52/264213152.db2.gz ZWUZLFOVSQHEKI-UHFFFAOYSA-N 0 1 283.362 3.808 20 0 CHADMN CC(C)CCN(CCC(C)C)Cc1nc(C(F)F)no1 ZINC000425385034 264219859 /nfs/dbraw/zinc/21/98/59/264219859.db2.gz MZKFIDXGPBXINP-UHFFFAOYSA-N 0 1 289.370 3.901 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H](C)c1ccc2c(c1)CCC2 ZINC000188768848 264241155 /nfs/dbraw/zinc/24/11/55/264241155.db2.gz GHLBXIOTAOSCHY-ZIAGYGMSSA-N 0 1 296.414 3.991 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H](C)c1ccc(C)s1 ZINC000188777815 264242319 /nfs/dbraw/zinc/24/23/19/264242319.db2.gz SORGWUHZBZJQDY-NWDGAFQWSA-N 0 1 276.405 3.872 20 0 CHADMN CCn1c2ccccc2nc1[C@@H](C)NCc1cccs1 ZINC000127051769 264247224 /nfs/dbraw/zinc/24/72/24/264247224.db2.gz MNUZJCXICMMVJW-GFCCVEGCSA-N 0 1 285.416 3.969 20 0 CHADMN CC[C@H](C)N(C)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000188886518 264253982 /nfs/dbraw/zinc/25/39/82/264253982.db2.gz KWLUSJXDAAVRDD-ZDUSSCGKSA-N 0 1 285.391 3.564 20 0 CHADMN COc1cnccc1[C@H](C)NCc1ccc(C)cc1C ZINC000189571127 264305019 /nfs/dbraw/zinc/30/50/19/264305019.db2.gz YJXFXWMTXWSJJO-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN COc1cc(NCc2cnc(-c3ccccc3)[nH]2)ccc1F ZINC000189570328 264309505 /nfs/dbraw/zinc/30/95/05/264309505.db2.gz DPNHGQQLEZTNRB-UHFFFAOYSA-N 0 1 297.333 3.837 20 0 CHADMN CCOC[C@@H](N[C@@H](C)c1c(F)cccc1F)C(C)C ZINC000189803568 264326556 /nfs/dbraw/zinc/32/65/56/264326556.db2.gz GFGGETOHKQYXLC-SMDDNHRTSA-N 0 1 271.351 3.677 20 0 CHADMN CCOC[C@H](N[C@@H](C)c1c(F)cccc1F)C(C)C ZINC000189803554 264326715 /nfs/dbraw/zinc/32/67/15/264326715.db2.gz GFGGETOHKQYXLC-FZMZJTMJSA-N 0 1 271.351 3.677 20 0 CHADMN CC(C)O[C@@H](CN1CCOC(C)(C)[C@H]1C)c1ccccc1 ZINC000428393443 264369079 /nfs/dbraw/zinc/36/90/79/264369079.db2.gz OACOBIWOPLPIHX-WBVHZDCISA-N 0 1 291.435 3.652 20 0 CHADMN Cc1ccc2cc([C@@H](C)N[C@H](C)c3cnn(C)c3)oc2c1 ZINC000426053979 264897162 /nfs/dbraw/zinc/89/71/62/264897162.db2.gz ZMSLDVMVFFXSDW-CHWSQXEVSA-N 0 1 283.375 3.887 20 0 CHADMN Cc1nnc([C@@H](C)NCC/C=C/c2ccccc2)s1 ZINC000391986614 265037298 /nfs/dbraw/zinc/03/72/98/265037298.db2.gz WKVXLAZWTUXVJS-GCZGVDRJSA-N 0 1 273.405 3.601 20 0 CHADMN Cc1cccc2ncc(CNC3(c4cccc(F)c4)CC3)n21 ZINC000344482649 265060668 /nfs/dbraw/zinc/06/06/68/265060668.db2.gz VMZIGPPCXOSGSO-UHFFFAOYSA-N 0 1 295.361 3.561 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2cncc(F)c2)C1 ZINC000347049835 265123286 /nfs/dbraw/zinc/12/32/86/265123286.db2.gz JKALTOASPSLHMO-OAHLLOKOSA-N 0 1 250.361 3.623 20 0 CHADMN CN(Cc1nn(-c2ccccc2)c2c1CCC2)CC1CCC1 ZINC000348240449 265146970 /nfs/dbraw/zinc/14/69/70/265146970.db2.gz CTZXNHZLHGBLCO-UHFFFAOYSA-N 0 1 295.430 3.593 20 0 CHADMN CCCCN(C(=O)c1[nH]nc2ccccc21)[C@@H](C)CC ZINC000096477340 265368086 /nfs/dbraw/zinc/36/80/86/265368086.db2.gz LKODWMYUFVQDTB-LBPRGKRZSA-N 0 1 273.380 3.604 20 0 CHADMN CCCN(C)CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000519304582 265389325 /nfs/dbraw/zinc/38/93/25/265389325.db2.gz DGLDCKAHVQTYHT-UHFFFAOYSA-N 0 1 294.398 3.538 20 0 CHADMN COC(=O)c1cnc([C@@H](C)N[C@H](C)CCC(C)(C)C)s1 ZINC000314768507 266014291 /nfs/dbraw/zinc/01/42/91/266014291.db2.gz IBZJUPCWVQIYAK-GHMZBOCLSA-N 0 1 298.452 3.795 20 0 CHADMN COCC1CCN(Cc2cscc2C(F)(F)F)CC1 ZINC000356232859 266078655 /nfs/dbraw/zinc/07/86/55/266078655.db2.gz PGDDIYMWKCMYGV-UHFFFAOYSA-N 0 1 293.354 3.625 20 0 CHADMN O=C(CCCC(F)(F)F)Nc1cccc(Cl)c1O ZINC000356290573 266088994 /nfs/dbraw/zinc/08/89/94/266088994.db2.gz FWXGVYXOOCDLQA-UHFFFAOYSA-N 0 1 281.661 3.717 20 0 CHADMN CC(C)(O)[C@H]1CCCN1Cc1cscc1C(F)(F)F ZINC000356415090 266109750 /nfs/dbraw/zinc/10/97/50/266109750.db2.gz OSHJRUKYHBBGRQ-LLVKDONJSA-N 0 1 293.354 3.502 20 0 CHADMN CCC(CC)c1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000356525192 266130382 /nfs/dbraw/zinc/13/03/82/266130382.db2.gz LXYQXTAVZBKSJT-UHFFFAOYSA-N 0 1 272.308 3.623 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1ccc(F)cn1 ZINC000356669219 266157067 /nfs/dbraw/zinc/15/70/67/266157067.db2.gz CKNXDMVZIFCJLB-SJCJKPOMSA-N 0 1 270.351 3.867 20 0 CHADMN C[C@H](c1ccsc1)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000356979698 266224481 /nfs/dbraw/zinc/22/44/81/266224481.db2.gz FMMYOJPSOJBXBD-SECBINFHSA-N 0 1 296.355 3.826 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC[C@@H]2c2cccc(N(C)C)c2)o1 ZINC000356988506 266225928 /nfs/dbraw/zinc/22/59/28/266225928.db2.gz QZMMFWKEBZATFX-RHSMWYFYSA-N 0 1 299.418 3.947 20 0 CHADMN CCS[C@H]1CCCCN([C@H](C)c2ncc(C)o2)C1 ZINC000357005079 266229970 /nfs/dbraw/zinc/22/99/70/266229970.db2.gz QUESIGAWHZLAOI-OLZOCXBDSA-N 0 1 268.426 3.652 20 0 CHADMN C[C@H]1CCN(Cc2nc(-c3ccccc3)no2)CC12CCC2 ZINC000357036785 266236726 /nfs/dbraw/zinc/23/67/26/266236726.db2.gz JYSVJFOWNNRMJS-AWEZNQCLSA-N 0 1 297.402 3.749 20 0 CHADMN CCO[C@@H](C)c1nc(CN(C)[C@H](C)C2CCC2)cs1 ZINC000357045992 266238576 /nfs/dbraw/zinc/23/85/76/266238576.db2.gz XJOCUOOVFLVTHC-NEPJUHHUSA-N 0 1 282.453 3.861 20 0 CHADMN CC(C)CN(Cc1ccn(C2CCCC2)n1)C1CC1 ZINC000357155218 266255714 /nfs/dbraw/zinc/25/57/14/266255714.db2.gz PLBGNPKWEPRFHJ-UHFFFAOYSA-N 0 1 261.413 3.619 20 0 CHADMN Cc1cccc(C)c1OCCN(Cc1cccnc1)C1CC1 ZINC000357202512 266265315 /nfs/dbraw/zinc/26/53/15/266265315.db2.gz LEGMNMAFCXGATN-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2ncc(C)s2)C1 ZINC000357306745 266273240 /nfs/dbraw/zinc/27/32/40/266273240.db2.gz PKFASVFOSUZTQO-AWEZNQCLSA-N 0 1 252.427 3.854 20 0 CHADMN C[C@]1(NCc2csc(-c3cccs3)n2)CCCOC1 ZINC000357344445 266279849 /nfs/dbraw/zinc/27/98/49/266279849.db2.gz HEJVNDXXKSHOPP-AWEZNQCLSA-N 0 1 294.445 3.530 20 0 CHADMN CSc1cc(CNCc2ccc(F)c(Cl)c2)ccn1 ZINC000357352578 266281291 /nfs/dbraw/zinc/28/12/91/266281291.db2.gz FZQYEHXOHHECPF-UHFFFAOYSA-N 0 1 296.798 3.886 20 0 CHADMN CCCCc1nc(CN2CCCC[C@H]2[C@H](O)CC)cs1 ZINC000114458955 266287103 /nfs/dbraw/zinc/28/71/03/266287103.db2.gz OYZOPEQVALNHML-LSDHHAIUSA-N 0 1 296.480 3.611 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1nnc(Cc2ccccc2C)o1 ZINC000357556528 266324204 /nfs/dbraw/zinc/32/42/04/266324204.db2.gz UXXKVOZSYBAWFD-GDBMZVCRSA-N 0 1 299.418 3.732 20 0 CHADMN CCCc1nc(CN2CCC[C@H](C)[C@@H]2C)cs1 ZINC000357717323 266350814 /nfs/dbraw/zinc/35/08/14/266350814.db2.gz QFDOBMGLAFZZGY-RYUDHWBXSA-N 0 1 252.427 3.716 20 0 CHADMN CSc1cc(CN[C@H](C)c2ccccc2F)ccn1 ZINC000357852199 266376856 /nfs/dbraw/zinc/37/68/56/266376856.db2.gz NVSPQQYPMFJXRP-LLVKDONJSA-N 0 1 276.380 3.793 20 0 CHADMN Cc1cnc(CSc2nc(C=Cc3ccccc3)n[nH]2)o1 ZINC000357991220 266394829 /nfs/dbraw/zinc/39/48/29/266394829.db2.gz PPBWYTPSPOEIOG-FPLPWBNLSA-N 0 1 298.371 3.564 20 0 CHADMN C[C@@H](NCc1csc2ccccc12)c1cnccn1 ZINC000358010631 266396566 /nfs/dbraw/zinc/39/65/66/266396566.db2.gz YNKPZFBVURLRAX-LLVKDONJSA-N 0 1 269.373 3.542 20 0 CHADMN CCCCn1cc(CNCc2ccc(F)cc2C)c(C)n1 ZINC000358506285 266471470 /nfs/dbraw/zinc/47/14/70/266471470.db2.gz LPEOXDGAMGFHRY-UHFFFAOYSA-N 0 1 289.398 3.729 20 0 CHADMN Cc1c2ccccc2oc1CN[C@H]1CCCc2nn(C)cc21 ZINC000358753361 266492511 /nfs/dbraw/zinc/49/25/11/266492511.db2.gz LPKKSMREQUHBJH-HNNXBMFYSA-N 0 1 295.386 3.642 20 0 CHADMN CCOCCCCNc1ccnc2cc(F)c(OC)cc21 ZINC000358943505 266510140 /nfs/dbraw/zinc/51/01/40/266510140.db2.gz CUNXILQICNSJPX-UHFFFAOYSA-N 0 1 292.354 3.611 20 0 CHADMN CCCCN(C(=O)CCc1cnc[nH]1)[C@@H]1CCC[C@@H](C)C1 ZINC000359272450 266557792 /nfs/dbraw/zinc/55/77/92/266557792.db2.gz ZDBKMKFJSBURBF-GDBMZVCRSA-N 0 1 291.439 3.550 20 0 CHADMN Fc1cc(Cl)cc(CN2CCCC3(CCOCC3)C2)c1 ZINC000362527744 267000917 /nfs/dbraw/zinc/00/09/17/267000917.db2.gz FSHPRFGGTAKZIA-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN CC(C)OCCN1CCC(c2c(F)cccc2F)CC1 ZINC000362578769 267010427 /nfs/dbraw/zinc/01/04/27/267010427.db2.gz UPBGSTQUVSFJPO-UHFFFAOYSA-N 0 1 283.362 3.569 20 0 CHADMN CCC1(CC)CCN(Cc2cn3ccsc3n2)CC1 ZINC000362582522 267010682 /nfs/dbraw/zinc/01/06/82/267010682.db2.gz ZKCVJTPDJOGCOI-UHFFFAOYSA-N 0 1 277.437 3.798 20 0 CHADMN CCC1(CC)CCN(Cc2nc(-c3ccco3)no2)CC1 ZINC000362594381 267016296 /nfs/dbraw/zinc/01/62/96/267016296.db2.gz SJMVQIVPGPTULX-UHFFFAOYSA-N 0 1 289.379 3.732 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1nnc(C(C)C)o1 ZINC000362940033 267064355 /nfs/dbraw/zinc/06/43/55/267064355.db2.gz HDCVITXHUNZCSY-CYBMUJFWSA-N 0 1 265.401 3.738 20 0 CHADMN Cc1ccc2c(c1)[nH]cc2C1=CCN(Cc2ccno2)CC1 ZINC000363013223 267073082 /nfs/dbraw/zinc/07/30/82/267073082.db2.gz GELNXCBTQOBLGP-UHFFFAOYSA-N 0 1 293.370 3.754 20 0 CHADMN C[C@@H](NCc1cnc2n1CCCC2)c1cc2ccccc2o1 ZINC000367436452 267090255 /nfs/dbraw/zinc/09/02/55/267090255.db2.gz FXKJXOQQTQEBQN-CYBMUJFWSA-N 0 1 295.386 3.816 20 0 CHADMN c1coc(-c2ncc(CN3C[C@H]4CCCC[C@H]43)s2)c1 ZINC000367959623 267130874 /nfs/dbraw/zinc/13/08/74/267130874.db2.gz VIBDPSJSOFWJMI-DGCLKSJQSA-N 0 1 274.389 3.778 20 0 CHADMN C[C@@H](c1cccnc1)N1CC2(CCCC2)OC(C)(C)C1 ZINC000369052113 267219571 /nfs/dbraw/zinc/21/95/71/267219571.db2.gz SJRIMHBMMJRNAX-AWEZNQCLSA-N 0 1 274.408 3.566 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1cn2c(n1)CCCC2 ZINC000369366862 267238073 /nfs/dbraw/zinc/23/80/73/267238073.db2.gz SRUMRXQKCBDHEV-QGZVFWFLSA-N 0 1 283.419 3.803 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc2c(c1)CCC2 ZINC000370049857 267286079 /nfs/dbraw/zinc/28/60/79/267286079.db2.gz LKYZMVUPJDCUBA-YVEFUNNKSA-N 0 1 281.403 3.627 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2ccc(C)c(F)c2)c(C)n1 ZINC000168510254 267301216 /nfs/dbraw/zinc/30/12/16/267301216.db2.gz SDIQGWJUNRACKV-VXGBXAGGSA-N 0 1 287.382 3.953 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cccnc1C ZINC000120019875 267352457 /nfs/dbraw/zinc/35/24/57/267352457.db2.gz HYSXHTFFOQVHCG-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN CC(C)c1cnc(CN[C@H](CO)CC2CCCCC2)s1 ZINC000418129826 267357986 /nfs/dbraw/zinc/35/79/86/267357986.db2.gz TWNDQCSEPUHUDU-AWEZNQCLSA-N 0 1 296.480 3.687 20 0 CHADMN CC[C@@H]1C[C@]1(NCc1cncn1CC)c1cccc(C)c1 ZINC000418143663 267365370 /nfs/dbraw/zinc/36/53/70/267365370.db2.gz MMQPIWXHSRWMBP-CRAIPNDOSA-N 0 1 283.419 3.626 20 0 CHADMN Fc1ccc(-c2nc(CN3CC4CCC3CC4)co2)cc1 ZINC000371391116 267397241 /nfs/dbraw/zinc/39/72/41/267397241.db2.gz AFFAVDWUGCROPD-UHFFFAOYSA-N 0 1 286.350 3.855 20 0 CHADMN CC[C@H](N[C@@H](C)c1cccc(CO)c1)c1c(C)noc1C ZINC000305783508 267997804 /nfs/dbraw/zinc/99/78/04/267997804.db2.gz QJGIWHRCRIUCMJ-ZBEGNZNMSA-N 0 1 288.391 3.586 20 0 CHADMN Cc1ccncc1CN[C@@H](C)c1ccc(Cl)s1 ZINC000123227740 268017260 /nfs/dbraw/zinc/01/72/60/268017260.db2.gz HVPQXCHAWLCYNP-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1csc(C(C)(C)C)n1 ZINC000123223964 268017316 /nfs/dbraw/zinc/01/73/16/268017316.db2.gz CNDASXCRFYSCBY-QWRGUYRKSA-N 0 1 252.427 3.813 20 0 CHADMN COc1cc(C[N@H+]2CCC3(CCC3)C2)ccc1SC ZINC000123301265 268035137 /nfs/dbraw/zinc/03/51/37/268035137.db2.gz NSVFUDATEUQAIE-UHFFFAOYSA-N 0 1 277.433 3.793 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1cc(-c2cccs2)on1 ZINC000123353288 268038407 /nfs/dbraw/zinc/03/84/07/268038407.db2.gz NXHVSBOHCRFKSO-PHIMTYICSA-N 0 1 262.378 3.776 20 0 CHADMN c1csc(-c2cnc(CN3CCC4(CCC4)C3)o2)c1 ZINC000123387234 268041363 /nfs/dbraw/zinc/04/13/63/268041363.db2.gz MSRWEISQTAFEIX-UHFFFAOYSA-N 0 1 274.389 3.779 20 0 CHADMN Clc1ccc2nc(CNCC3=CCCCC3)cn2c1 ZINC000379783909 335088151 /nfs/dbraw/zinc/08/81/51/335088151.db2.gz YJQKVSNXDPCWNJ-UHFFFAOYSA-N 0 1 275.783 3.578 20 0 CHADMN CCc1cnc(CN[C@@H](C)[C@@H]2CCC[C@@H](C)C2)o1 ZINC000570772398 327617517 /nfs/dbraw/zinc/61/75/17/327617517.db2.gz KWQDMKYKANFUNJ-FRRDWIJNSA-N 0 1 250.386 3.541 20 0 CHADMN C[C@H](NCc1cc(F)cc(F)c1)c1ccsc1 ZINC000177720871 327727345 /nfs/dbraw/zinc/72/73/45/327727345.db2.gz UVFBRJSLRQSUON-VIFPVBQESA-N 0 1 253.317 3.877 20 0 CHADMN COc1ccc(CNC(C)(C)c2ccccc2)c(F)c1 ZINC000380236433 327813232 /nfs/dbraw/zinc/81/32/32/327813232.db2.gz MQCXCLKYJBKKBQ-UHFFFAOYSA-N 0 1 273.351 3.859 20 0 CHADMN Cc1cncc([C@@H](C)N[C@@H]2CCOc3ccc(F)cc32)c1 ZINC000184402506 327827968 /nfs/dbraw/zinc/82/79/68/327827968.db2.gz YPMCVUORSKZOQP-MLGOLLRUSA-N 0 1 286.350 3.704 20 0 CHADMN C/C(=C/c1ccc(Cl)cc1)CNCc1snnc1C ZINC000492418679 327878806 /nfs/dbraw/zinc/87/88/06/327878806.db2.gz SOVWLNDHSCJEHB-YFHOEESVSA-N 0 1 293.823 3.693 20 0 CHADMN Cc1cccnc1CNCc1cccc(C2CC2)c1 ZINC000094519853 327954888 /nfs/dbraw/zinc/95/48/88/327954888.db2.gz CRYQBSNGJSBGQB-UHFFFAOYSA-N 0 1 252.361 3.557 20 0 CHADMN Cc1ccc([C@H](N)C(=O)Nc2ccccc2C(C)(C)C)cc1 ZINC000262587268 327962403 /nfs/dbraw/zinc/96/24/03/327962403.db2.gz ZXOSNSQKEZOQIM-KRWDZBQOSA-N 0 1 296.414 3.931 20 0 CHADMN Cc1ccc([C@@H](N)C(=O)Nc2ccccc2C(C)(C)C)cc1 ZINC000262587276 327962459 /nfs/dbraw/zinc/96/24/59/327962459.db2.gz ZXOSNSQKEZOQIM-QGZVFWFLSA-N 0 1 296.414 3.931 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCCCC(=O)[O-] ZINC000563285125 328008669 /nfs/dbraw/zinc/00/86/69/328008669.db2.gz XTILKHXXCKNKAD-HOCLYGCPSA-N 0 1 275.392 3.509 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000563277449 328006726 /nfs/dbraw/zinc/00/67/26/328006726.db2.gz LTXZDHWGFMLGDQ-OAHLLOKOSA-N 0 1 299.370 3.748 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000563277448 328006742 /nfs/dbraw/zinc/00/67/42/328006742.db2.gz LTXZDHWGFMLGDQ-HNNXBMFYSA-N 0 1 299.370 3.748 20 0 CHADMN CC[N@H+](Cc1ccccc1C)[C@@H](C(=O)[O-])c1ccsc1 ZINC000563276863 328006883 /nfs/dbraw/zinc/00/68/83/328006883.db2.gz FKKDKDSZXGPPHC-OAHLLOKOSA-N 0 1 289.400 3.704 20 0 CHADMN CC[N@@H+](Cc1ccccc1C)[C@@H](C(=O)[O-])c1ccsc1 ZINC000563276863 328006885 /nfs/dbraw/zinc/00/68/85/328006885.db2.gz FKKDKDSZXGPPHC-OAHLLOKOSA-N 0 1 289.400 3.704 20 0 CHADMN CCC[C@@]1(C)CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2)C1 ZINC000563280092 328007268 /nfs/dbraw/zinc/00/72/68/328007268.db2.gz KDZSCWINZYZXPF-RDJZCZTQSA-N 0 1 275.392 3.715 20 0 CHADMN Cc1oc(C[N@@H+]2CCC[C@@H]2CCC(C)C)cc1C(=O)[O-] ZINC000563282839 328007703 /nfs/dbraw/zinc/00/77/03/328007703.db2.gz KKEIDVCFHDPYOQ-CYBMUJFWSA-N 0 1 279.380 3.687 20 0 CHADMN Cc1sccc1CNCc1cc(Cl)cc2c1OCC2 ZINC000339349141 328007860 /nfs/dbraw/zinc/00/78/60/328007860.db2.gz OMVFQEZMWJOEPK-UHFFFAOYSA-N 0 1 293.819 3.935 20 0 CHADMN c1csc(CN[C@H](CC2CC2)c2ccccc2)n1 ZINC000531684359 328021002 /nfs/dbraw/zinc/02/10/02/328021002.db2.gz UMETYRLTYHULIW-CQSZACIVSA-N 0 1 258.390 3.774 20 0 CHADMN CSc1ccc([C@@H](C)N[C@H](C)c2nccnc2C)cc1 ZINC000219115664 328025904 /nfs/dbraw/zinc/02/59/04/328025904.db2.gz JBVCLEFGHUIFPU-DGCLKSJQSA-N 0 1 287.432 3.919 20 0 CHADMN Cc1c(Br)cccc1CN1CCCCC1 ZINC000534135947 328035549 /nfs/dbraw/zinc/03/55/49/328035549.db2.gz LZFULEQJLYLHHW-UHFFFAOYSA-N 0 1 268.198 3.743 20 0 CHADMN CC[C@]1(C)COCCN1Cc1ccc(C(F)(F)F)cc1 ZINC000534117726 328036184 /nfs/dbraw/zinc/03/61/84/328036184.db2.gz JTUWBELLQUAOLB-CQSZACIVSA-N 0 1 287.325 3.706 20 0 CHADMN COC(C)(C)CN(C)Cc1cc(Cl)ccc1Cl ZINC000531829869 328041968 /nfs/dbraw/zinc/04/19/68/328041968.db2.gz WLDFVDGETJYCFM-UHFFFAOYSA-N 0 1 276.207 3.850 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@@H](C)c2cscn2)C1(CC)CC ZINC000534329141 328046536 /nfs/dbraw/zinc/04/65/36/328046536.db2.gz PKBSVRKSKBBJST-IACUBPJLSA-N 0 1 282.453 3.778 20 0 CHADMN Cc1ccc(CN(Cc2ccccc2C)C2CC2)nc1 ZINC000534333937 328048506 /nfs/dbraw/zinc/04/85/06/328048506.db2.gz QUJAARQVJUEDMR-UHFFFAOYSA-N 0 1 266.388 3.863 20 0 CHADMN O=C([O-])CC1(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000567395944 328069293 /nfs/dbraw/zinc/06/92/93/328069293.db2.gz LPTGLPQYHQPROW-AWEZNQCLSA-N 0 1 293.794 3.732 20 0 CHADMN Fc1ccccc1CN[C@H]1CSCCc2ccccc21 ZINC000153947140 328069945 /nfs/dbraw/zinc/06/99/45/328069945.db2.gz HIIJMWPSKPOZKV-KRWDZBQOSA-N 0 1 287.403 3.946 20 0 CHADMN C[C@H]1CCC[C@H](C)N(Cc2cc(C(C)(C)C)on2)C1 ZINC000571247064 328095104 /nfs/dbraw/zinc/09/51/04/328095104.db2.gz KUZVRQKWFWLUHJ-STQMWFEESA-N 0 1 264.413 3.983 20 0 CHADMN Cc1ccc(CCC[N@@H+](CC(=O)[O-])Cc2ccccc2)cc1 ZINC000571291154 328099779 /nfs/dbraw/zinc/09/97/79/328099779.db2.gz MGPQYSMQFTVESH-UHFFFAOYSA-N 0 1 297.398 3.514 20 0 CHADMN c1nc2ccc(NCc3cnc(C4CCC4)s3)cc2[nH]1 ZINC000571304781 328100978 /nfs/dbraw/zinc/10/09/78/328100978.db2.gz ABXQOZGEALDPHM-UHFFFAOYSA-N 0 1 284.388 3.899 20 0 CHADMN Cc1ccc2ncc(CN3CCC[C@@](C)(F)C3)cc2c1 ZINC000411769821 328099607 /nfs/dbraw/zinc/09/96/07/328099607.db2.gz KYFOWVRLFZEOSO-QGZVFWFLSA-N 0 1 272.367 3.867 20 0 CHADMN CC(C)C[C@H](N[C@H](C)c1ncc[nH]1)c1ccccc1 ZINC000139015059 328101493 /nfs/dbraw/zinc/10/14/93/328101493.db2.gz FQIQKCYPHCKEIG-HIFRSBDPSA-N 0 1 257.381 3.848 20 0 CHADMN C[C@H]1CC(C)(C)CN1Cc1ncc(C(C)(C)C)o1 ZINC000412043411 328102480 /nfs/dbraw/zinc/10/24/80/328102480.db2.gz NUKVOUQVVOJZGN-NSHDSACASA-N 0 1 250.386 3.593 20 0 CHADMN CC[C@H]1CC[C@H]1Nc1ccccc1CN1CCSCC1 ZINC000571311530 328104373 /nfs/dbraw/zinc/10/43/73/328104373.db2.gz LGRFCDHSRKDLKB-WMLDXEAASA-N 0 1 290.476 3.836 20 0 CHADMN CCn1nccc1CN(C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000435272025 328113324 /nfs/dbraw/zinc/11/33/24/328113324.db2.gz PWSAPLOTQHVUSR-QGZVFWFLSA-N 0 1 289.398 3.871 20 0 CHADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000571410352 328120150 /nfs/dbraw/zinc/12/01/50/328120150.db2.gz RXJMMGXIXUEJCU-MJGOQNOKSA-N 0 1 299.414 3.943 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(C(C)(C)C)cc2)n(C)n1 ZINC000283845342 328133679 /nfs/dbraw/zinc/13/36/79/328133679.db2.gz BVFJNINKHBCWII-CQSZACIVSA-N 0 1 285.435 3.877 20 0 CHADMN CC[C@]1(C)CCC[N@@H+](Cc2cc(C(=O)[O-])sc2C)C1 ZINC000571571655 328134496 /nfs/dbraw/zinc/13/44/96/328134496.db2.gz UHJDNZYVPHBSIZ-OAHLLOKOSA-N 0 1 281.421 3.767 20 0 CHADMN C[C@H](NCc1cnccc1C(C)(C)C)c1cccc(O)c1 ZINC000414220500 328153538 /nfs/dbraw/zinc/15/35/38/328153538.db2.gz CCGXUAVBJYIZRX-ZDUSSCGKSA-N 0 1 284.403 3.936 20 0 CHADMN Cc1c([C@H](C)N[C@@H]2CCCC[C@H]2F)cnn1C(C)C ZINC000414301813 328154181 /nfs/dbraw/zinc/15/41/81/328154181.db2.gz BWVATOAGBSDJFS-NILFDRSVSA-N 0 1 267.392 3.704 20 0 CHADMN CCCN(Cc1ccc(C)nn1)[C@@H](C)c1ccccc1OC ZINC000414368132 328156182 /nfs/dbraw/zinc/15/61/82/328156182.db2.gz GIZIORNXYVRODJ-HNNXBMFYSA-N 0 1 299.418 3.767 20 0 CHADMN CCc1ncc(CN[C@H]2CCc3ccc(C(C)C)cc32)cn1 ZINC000414432809 328169054 /nfs/dbraw/zinc/16/90/54/328169054.db2.gz MSTREYYGNBIXMX-SFHVURJKSA-N 0 1 295.430 3.940 20 0 CHADMN CCc1ncc(CN(C)C/C(C)=C/c2ccccc2)cn1 ZINC000414437713 328169852 /nfs/dbraw/zinc/16/98/52/328169852.db2.gz PZMUVAIIHRUJSF-XNTDXEJSSA-N 0 1 281.403 3.574 20 0 CHADMN Fc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)c(Cl)c1 ZINC000266939742 328170562 /nfs/dbraw/zinc/17/05/62/328170562.db2.gz QZEJERYVPNEBJA-LBPRGKRZSA-N 0 1 293.773 3.582 20 0 CHADMN CCc1ncc(CN2CCC[C@@H]2c2ccc(F)cc2C)cn1 ZINC000414465439 328183075 /nfs/dbraw/zinc/18/30/75/328183075.db2.gz XLQHXEKWHPHDHU-QGZVFWFLSA-N 0 1 299.393 3.824 20 0 CHADMN O[C@@H]1C[C@H](c2ccccc2)N(Cc2cc(Cl)cs2)C1 ZINC000414492502 328187309 /nfs/dbraw/zinc/18/73/09/328187309.db2.gz ZDSYCHHJHUTJSI-UKRRQHHQSA-N 0 1 293.819 3.709 20 0 CHADMN C[C@H]1C[C@@H](NCc2csc(-c3ccccc3)n2)CS1 ZINC000414502409 328190340 /nfs/dbraw/zinc/19/03/40/328190340.db2.gz PEQLPKNEEMYRMT-WCQYABFASA-N 0 1 290.457 3.794 20 0 CHADMN F[C@@H]1CCCC[C@H]1NCc1cnc(-c2ccncc2)s1 ZINC000414508235 328190526 /nfs/dbraw/zinc/19/05/26/328190526.db2.gz CGVGXOLKLPDLPA-ZIAGYGMSSA-N 0 1 291.395 3.575 20 0 CHADMN CCC[C@H](C)N(C)CC(=O)Nc1c(C)cccc1Cl ZINC000270308527 328193014 /nfs/dbraw/zinc/19/30/14/328193014.db2.gz PMTSWRKRDSDHGR-LBPRGKRZSA-N 0 1 282.815 3.707 20 0 CHADMN Cc1cc(C)c(Cc2nc([C@H](N)CC(C)C)no2)c(C)c1 ZINC000414616033 328202769 /nfs/dbraw/zinc/20/27/69/328202769.db2.gz JKSAAYORRGFJFR-OAHLLOKOSA-N 0 1 287.407 3.632 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@H]1CN(C)Cc2ccccc21 ZINC000366701263 328282664 /nfs/dbraw/zinc/28/26/64/328282664.db2.gz YONDLPXIXAHWHG-KDOFPFPSSA-N 0 1 296.414 3.533 20 0 CHADMN CC(C)N(Cc1coc(-c2ccccc2)n1)C1CC1 ZINC000298697260 328297187 /nfs/dbraw/zinc/29/71/87/328297187.db2.gz GKHVKVYCJPQPSR-UHFFFAOYSA-N 0 1 256.349 3.714 20 0 CHADMN COc1ccc(C)cc1-c1nc2ccc(F)cc2[nH]1 ZINC000069835942 328297801 /nfs/dbraw/zinc/29/78/01/328297801.db2.gz QZWNTACFYLREKU-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CCC[C@@H](C)N(C)CC(=O)c1c(C)[nH]c2ccccc21 ZINC000049237715 328352334 /nfs/dbraw/zinc/35/23/34/328352334.db2.gz GPRQITLVDPLFET-GFCCVEGCSA-N 0 1 272.392 3.779 20 0 CHADMN CCc1noc([C@@H](C)N2CCC[C@H](C(C)(C)C)CC2)n1 ZINC000303681288 328357601 /nfs/dbraw/zinc/35/76/01/328357601.db2.gz RXPLQMUQSYWLIF-OLZOCXBDSA-N 0 1 279.428 3.841 20 0 CHADMN Cc1ccc2nc(SCCOC(C)(C)C)[nH]c2c1 ZINC000049418325 328361566 /nfs/dbraw/zinc/36/15/66/328361566.db2.gz SFZCENLSACXGTC-UHFFFAOYSA-N 0 1 264.394 3.779 20 0 CHADMN CCCN(C)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000049480605 328364675 /nfs/dbraw/zinc/36/46/75/328364675.db2.gz KEWYDLPMFJUGPF-CYBMUJFWSA-N 0 1 270.376 3.509 20 0 CHADMN Cc1oncc1CNC1(c2ccccc2)CCCC1 ZINC000129865502 328367081 /nfs/dbraw/zinc/36/70/81/328367081.db2.gz FQDHVULKMWGMFH-UHFFFAOYSA-N 0 1 256.349 3.542 20 0 CHADMN CCOc1ccc2nc(SCCOC(C)(C)C)[nH]c2c1 ZINC000049517382 328367256 /nfs/dbraw/zinc/36/72/56/328367256.db2.gz DXVXNBOJXJHSTB-UHFFFAOYSA-N 0 1 294.420 3.869 20 0 CHADMN CCCN(CC)Cc1ccc(F)cc1Br ZINC000049595460 328373992 /nfs/dbraw/zinc/37/39/92/328373992.db2.gz KBYPOJUURHAEOK-UHFFFAOYSA-N 0 1 274.177 3.820 20 0 CHADMN C[C@H]1C[C@@H]1CN(C)Cc1ccc(F)cc1Br ZINC000111734779 328377826 /nfs/dbraw/zinc/37/78/26/328377826.db2.gz AGSZKAPJDFEQFK-GXSJLCMTSA-N 0 1 286.188 3.676 20 0 CHADMN C[C@H](NCc1ccccc1CO)c1ccc(Cl)s1 ZINC000305153633 328394557 /nfs/dbraw/zinc/39/45/57/328394557.db2.gz UZSGXDJVEYQPRQ-JTQLQIEISA-N 0 1 281.808 3.745 20 0 CHADMN CC(=O)c1ccc2c(c1)CCN(Cc1ccccc1F)CC2 ZINC000535209565 328394754 /nfs/dbraw/zinc/39/47/54/328394754.db2.gz CVRSGHVUYUSISO-UHFFFAOYSA-N 0 1 297.373 3.629 20 0 CHADMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1csc(C2CC2)n1 ZINC000185656054 329328631 /nfs/dbraw/zinc/32/86/31/329328631.db2.gz GRCNZSRVUQRUOB-MFKMUULPSA-N 0 1 250.411 3.641 20 0 CHADMN CC[C@H]1[C@H](C)CCN1Cc1csc(C2CC2)n1 ZINC000185656054 329328632 /nfs/dbraw/zinc/32/86/32/329328632.db2.gz GRCNZSRVUQRUOB-MFKMUULPSA-N 0 1 250.411 3.641 20 0 CHADMN COc1ccc([C@H](C)NCc2cccc(C)n2)cc1Cl ZINC000112532673 328440526 /nfs/dbraw/zinc/44/05/26/328440526.db2.gz KLPPDMMSLYPHSX-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@@H](N[C@H]1CSc2ccccc21)c1ccncc1 ZINC000123633192 328454848 /nfs/dbraw/zinc/45/48/48/328454848.db2.gz ZWQJZGCCCGNIMW-RISCZKNCSA-N 0 1 256.374 3.579 20 0 CHADMN Cc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2sccc2Cl)o1 ZINC000417578552 328510456 /nfs/dbraw/zinc/51/04/56/328510456.db2.gz YTNYOECHANWMGJ-SNVBAGLBSA-N 0 1 299.779 3.609 20 0 CHADMN Cc1cccc([C@@H](C)N[C@H](c2nccn2C)C2CC2)c1 ZINC000353873259 328567725 /nfs/dbraw/zinc/56/77/25/328567725.db2.gz WRUIVOVRTFYSKX-CJNGLKHVSA-N 0 1 269.392 3.530 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccccn1)c1ccccc1OC ZINC000036995053 326833263 /nfs/dbraw/zinc/83/32/63/326833263.db2.gz RHHNJFHDPHKUKO-ZFWWWQNUSA-N 0 1 270.376 3.892 20 0 CHADMN Cc1cc(C)c(CN[C@@H](CO)c2ccc(F)cc2)cc1C ZINC000584015531 326849292 /nfs/dbraw/zinc/84/92/92/326849292.db2.gz KQGOCTSFJXINEM-SFHVURJKSA-N 0 1 287.378 3.574 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cc(Cl)sc2Cl)[C@H](C)O1 ZINC000312600417 326925775 /nfs/dbraw/zinc/92/57/75/326925775.db2.gz KULFNXBXECWPGH-BKPPORCPSA-N 0 1 280.220 3.710 20 0 CHADMN CC(C)C(CN[C@@H](C)c1nc(C(C)(C)C)no1)C(C)C ZINC000556596312 326952894 /nfs/dbraw/zinc/95/28/94/326952894.db2.gz MXBKOPUGIVSQIQ-LBPRGKRZSA-N 0 1 281.444 3.946 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@@H]2CCc3ccc(F)cc32)c1 ZINC000556859360 326973584 /nfs/dbraw/zinc/97/35/84/326973584.db2.gz YRBXPZKHNLVPMQ-MLGOLLRUSA-N 0 1 270.351 3.867 20 0 CHADMN Cc1nc2cc(N[C@H]3CC[C@H]3C(C)C)ccc2n1C ZINC000556890888 326979496 /nfs/dbraw/zinc/97/94/96/326979496.db2.gz ZHPLCVYZZSJTMR-KBPBESRZSA-N 0 1 257.381 3.728 20 0 CHADMN CC(C)(C)CC[N@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000568654524 327008928 /nfs/dbraw/zinc/00/89/28/327008928.db2.gz KIUYAGPLADLQMK-LSDHHAIUSA-N 0 1 281.440 3.778 20 0 CHADMN Cc1ccc(C[C@H]2CCCN(Cc3cscn3)C2)cc1 ZINC000557696752 327021378 /nfs/dbraw/zinc/02/13/78/327021378.db2.gz ZLZBUJNVJXHJPF-MRXNPFEDSA-N 0 1 286.444 3.906 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cccc(C)c3C)[nH]c2c1 ZINC000557806800 327028367 /nfs/dbraw/zinc/02/83/67/327028367.db2.gz DQKDVLNDNUADKJ-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN CO[C@@H]1[C@@H](C)[C@H](NCc2csc(C(C)(C)C)n2)C1(C)C ZINC000557933216 327035722 /nfs/dbraw/zinc/03/57/22/327035722.db2.gz GVATZKLHMODHQZ-WCFLWFBJSA-N 0 1 296.480 3.590 20 0 CHADMN CC[C@@]1(C)C[C@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000557962074 327037966 /nfs/dbraw/zinc/03/79/66/327037966.db2.gz WIGKQCKKTDJCFU-CPFSXVBKSA-N 0 1 271.719 3.559 20 0 CHADMN CCc1ccc(/C=C\c2nc([C@H](N)CC(C)C)no2)cc1 ZINC000584112687 327040255 /nfs/dbraw/zinc/04/02/55/327040255.db2.gz CLFCMTUNLSCZSM-FJVVXJACSA-N 0 1 285.391 3.848 20 0 CHADMN C[C@@H]1C[C@H]1[C@@H](NCc1cnccn1)c1ccc(Cl)cc1 ZINC000584158486 327052712 /nfs/dbraw/zinc/05/27/12/327052712.db2.gz HUSNNQNZTJRBDW-LYRGGWFBSA-N 0 1 287.794 3.617 20 0 CHADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1ccc(SC(C)C)cc1 ZINC000584177989 327055074 /nfs/dbraw/zinc/05/50/74/327055074.db2.gz WJAPKCQVJPOULO-UHFFFAOYSA-N 0 1 295.448 3.730 20 0 CHADMN Cc1cccc(NC2CCN(Cc3ccccn3)CC2)c1F ZINC000558132466 327075376 /nfs/dbraw/zinc/07/53/76/327075376.db2.gz PDWMBTIGWPUOKC-UHFFFAOYSA-N 0 1 299.393 3.606 20 0 CHADMN Cc1ccc(CN2CCC3(C2)Oc2ccccc2O3)cc1C ZINC000558171698 327077625 /nfs/dbraw/zinc/07/76/25/327077625.db2.gz CMNRNSJIMSECJR-UHFFFAOYSA-N 0 1 295.382 3.677 20 0 CHADMN CC(C)[C@@H]1CC[C@H](NCc2nccc(C(F)F)n2)C[C@@H]1C ZINC000558292041 327085712 /nfs/dbraw/zinc/08/57/12/327085712.db2.gz CSNPSIPWGAHDSP-AVGNSLFASA-N 0 1 297.393 3.965 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2C[C@@H](C)n3ccnc32)s1 ZINC000345349392 327088772 /nfs/dbraw/zinc/08/87/72/327088772.db2.gz GJHZCUBOCQRANS-ADEWGFFLSA-N 0 1 261.394 3.610 20 0 CHADMN CC(C)(C)C1CCN(Cc2ccc(Cl)cn2)CC1 ZINC000558406354 327090839 /nfs/dbraw/zinc/09/08/39/327090839.db2.gz ZYFSNHPRBKZJPI-UHFFFAOYSA-N 0 1 266.816 3.993 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(Cl)cn1 ZINC000558410621 327092209 /nfs/dbraw/zinc/09/22/09/327092209.db2.gz ZZTSMCXHLBZPEV-XUJVJEKNSA-N 0 1 264.800 3.888 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])C[C@@H](C)CC ZINC000577232336 327104373 /nfs/dbraw/zinc/10/43/73/327104373.db2.gz AAMHZQWSROVWTA-DZGCQCFKSA-N 0 1 263.381 3.570 20 0 CHADMN CC(C)SCCN1CCc2cccc(F)c2[C@@H]1C ZINC000558726088 327117577 /nfs/dbraw/zinc/11/75/77/327117577.db2.gz VMNCTPKHRJGOOH-LBPRGKRZSA-N 0 1 267.413 3.886 20 0 CHADMN c1ccc2c(c1)cccc2CCCN1CCOCC12CC2 ZINC000558859579 327127494 /nfs/dbraw/zinc/12/74/94/327127494.db2.gz GULJNYFBOGKPGE-UHFFFAOYSA-N 0 1 281.399 3.637 20 0 CHADMN Cc1c(CN[C@H](C)c2ccc(C(F)(F)F)cc2)cnn1C ZINC000093649781 327132926 /nfs/dbraw/zinc/13/29/26/327132926.db2.gz GTSFKVSPHPZEOD-SNVBAGLBSA-N 0 1 297.324 3.598 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000262068255 327134015 /nfs/dbraw/zinc/13/40/15/327134015.db2.gz FUEAQLVHGUIEJP-AWEZNQCLSA-N 0 1 299.370 3.631 20 0 CHADMN C[C@H](CN1CCOC[C@H]1CC(F)F)C1CCCCC1 ZINC000559243388 327149400 /nfs/dbraw/zinc/14/94/00/327149400.db2.gz GUXRDBNBQCHOQG-TZMCWYRMSA-N 0 1 275.383 3.559 20 0 CHADMN c1nc(CNCC2(c3ccccc3)CCCCC2)co1 ZINC000559268582 327152313 /nfs/dbraw/zinc/15/23/13/327152313.db2.gz XERRMMMLDQHIHJ-UHFFFAOYSA-N 0 1 270.376 3.666 20 0 CHADMN CC1(C)CCN(Cc2ccc(Br)cc2)C1 ZINC000091439773 327170048 /nfs/dbraw/zinc/17/00/48/327170048.db2.gz CEHZHUNDCVSIAA-UHFFFAOYSA-N 0 1 268.198 3.681 20 0 CHADMN CSc1cc(C)ccc1CNCc1ccc2c(n1)CCC2 ZINC000569433242 327176270 /nfs/dbraw/zinc/17/62/70/327176270.db2.gz NKSJBBWPVBOCSF-UHFFFAOYSA-N 0 1 298.455 3.890 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2noc(-c3cccs3)n2)C[C@H]1C ZINC000569434577 327176885 /nfs/dbraw/zinc/17/68/85/327176885.db2.gz WYLDFXSBBIRUKF-IJLUTSLNSA-N 0 1 291.420 3.712 20 0 CHADMN C[C@H](NCCc1cc2ccccc2o1)c1nccs1 ZINC000090076593 327176977 /nfs/dbraw/zinc/17/69/77/327176977.db2.gz LUYYMEKLWWRPSA-NSHDSACASA-N 0 1 272.373 3.783 20 0 CHADMN Cc1cc(C[N@@H+](C)Cc2ccsc2C(=O)[O-])ccc1F ZINC000569462582 327181989 /nfs/dbraw/zinc/18/19/89/327181989.db2.gz FFVLRGPYCUJATA-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NCC[C@@H](C)c1ccccc1 ZINC000410210327 327182737 /nfs/dbraw/zinc/18/27/37/327182737.db2.gz LEMUPRRRBCLLPJ-CYBMUJFWSA-N 0 1 299.418 3.765 20 0 CHADMN c1cc([C@@H]2CN(CC3Cc4ccccc4C3)CCO2)cs1 ZINC000569516034 327188247 /nfs/dbraw/zinc/18/82/47/327188247.db2.gz XKLKXYCKUSOAIE-SFHVURJKSA-N 0 1 299.439 3.536 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)o1 ZINC000569583775 327201365 /nfs/dbraw/zinc/20/13/65/327201365.db2.gz YLRNLPRBIOPFSO-OAHLLOKOSA-N 0 1 299.370 3.748 20 0 CHADMN C[C@H]1CCCC[C@@H]1OCCN1CC=C(C(F)(F)F)CC1 ZINC000533833861 327220719 /nfs/dbraw/zinc/22/07/19/327220719.db2.gz GXNYACPBBYEZHT-JSGCOSHPSA-N 0 1 291.357 3.776 20 0 CHADMN C[C@H](NCc1cnc(C2CCCCC2)s1)c1cn[nH]c1 ZINC000533854697 327223873 /nfs/dbraw/zinc/22/38/73/327223873.db2.gz VSJPREWJPIFEON-NSHDSACASA-N 0 1 290.436 3.765 20 0 CHADMN C[C@@H]1CN(CCCc2ccccc2Br)[C@H]1C ZINC000584304890 327233525 /nfs/dbraw/zinc/23/35/25/327233525.db2.gz OYAZIXLYHIJNJM-NEPJUHHUSA-N 0 1 282.225 3.722 20 0 CHADMN CN(Cc1ccoc1)Cc1cccc(Br)c1 ZINC000042372362 327237490 /nfs/dbraw/zinc/23/74/90/327237490.db2.gz JTRBXNHRVBWXCS-UHFFFAOYSA-N 0 1 280.165 3.674 20 0 CHADMN Fc1ccc(Cl)c(CN2CC[C@@H](c3ccncc3)C2)c1 ZINC000559638692 327255841 /nfs/dbraw/zinc/25/58/41/327255841.db2.gz HWSHTLAHLIMQHZ-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN CC(C)C[C@@H]1COCCN1Cc1ccc2occc2c1 ZINC000573842562 327263066 /nfs/dbraw/zinc/26/30/66/327263066.db2.gz AETUPTQRDWEVHP-MRXNPFEDSA-N 0 1 273.376 3.680 20 0 CHADMN COc1ccncc1CN[C@@H]1CCc2c1cccc2Cl ZINC000559872848 327265896 /nfs/dbraw/zinc/26/58/96/327265896.db2.gz XSDJAQHDHACVGW-OAHLLOKOSA-N 0 1 288.778 3.521 20 0 CHADMN CCn1cc([C@@H](C)N[C@@H](C)c2cc(C)ccc2OC)cn1 ZINC000044496644 327267444 /nfs/dbraw/zinc/26/74/44/327267444.db2.gz PPXVVMZPMRTISR-KGLIPLIRSA-N 0 1 287.407 3.632 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])oc1C ZINC000573975305 327277871 /nfs/dbraw/zinc/27/78/71/327277871.db2.gz MNVAZWYUONIBDG-SMDDNHRTSA-N 0 1 279.380 3.687 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1ccncc1C ZINC000560102050 327284507 /nfs/dbraw/zinc/28/45/07/327284507.db2.gz UCGXTXYCJQXZMZ-IBGZPJMESA-N 0 1 296.414 3.908 20 0 CHADMN Cc1ccccc1[C@@]1(F)CCN(Cc2ccncc2C)C1 ZINC000560146035 327287031 /nfs/dbraw/zinc/28/70/31/327287031.db2.gz NGQVBHVXCVFNRK-GOSISDBHSA-N 0 1 284.378 3.769 20 0 CHADMN C[C@H](CCC(C)(C)C)N[C@@H](CO)c1c(F)cccc1F ZINC000560246927 327292907 /nfs/dbraw/zinc/29/29/07/327292907.db2.gz UKZJXTPFHKSRPR-RISCZKNCSA-N 0 1 285.378 3.803 20 0 CHADMN CC[C@H]1CCC[C@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000560341982 327301360 /nfs/dbraw/zinc/30/13/60/327301360.db2.gz NLRDJDNRKCFQHF-CMPLNLGQSA-N 0 1 282.347 3.907 20 0 CHADMN CN(CCc1cccc(Cl)c1)CCC(F)(F)F ZINC000459328477 331276308 /nfs/dbraw/zinc/27/63/08/331276308.db2.gz PYBAKVBYBOYPJV-UHFFFAOYSA-N 0 1 265.706 3.767 20 0 CHADMN c1ccc([C@@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000560543815 327321568 /nfs/dbraw/zinc/32/15/68/327321568.db2.gz GWPRWBGIAZNKIQ-MRXNPFEDSA-N 0 1 291.398 3.943 20 0 CHADMN COc1cc(CN2C[C@H](C)[C@@H]2c2ccccc2)cc(OC)c1 ZINC000560566002 327325271 /nfs/dbraw/zinc/32/52/71/327325271.db2.gz JLSXBVSHCQXJFD-IFXJQAMLSA-N 0 1 297.398 3.897 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccc2c(n1)CCC2)c1ccccc1 ZINC000560576380 327327242 /nfs/dbraw/zinc/32/72/42/327327242.db2.gz UOFSKHRXCOXPHL-HNNXBMFYSA-N 0 1 280.415 3.806 20 0 CHADMN Fc1cccc([C@@H]2CCN(Cc3nc4ccccc4o3)C2)c1 ZINC000560675482 327335951 /nfs/dbraw/zinc/33/59/51/327335951.db2.gz LYHDUEHQEJYGPP-CQSZACIVSA-N 0 1 296.345 3.956 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCCCCC(=O)[O-] ZINC000566360787 327336868 /nfs/dbraw/zinc/33/68/68/327336868.db2.gz BEXBMGKLNJULKA-QGZVFWFLSA-N 0 1 291.435 3.893 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1c(C)ccc2ccccc21 ZINC000566367346 327339637 /nfs/dbraw/zinc/33/96/37/327339637.db2.gz DKRGNNMDLGVQEN-CQSZACIVSA-N 0 1 285.387 3.833 20 0 CHADMN Cc1cnccc1CC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000574570287 327350433 /nfs/dbraw/zinc/35/04/33/327350433.db2.gz JNWYQFBDPYUPER-UHFFFAOYSA-N 0 1 286.806 3.644 20 0 CHADMN Cc1nsc(C)c1CN1CC[C@H](CC(F)(F)F)C1 ZINC000574581407 327352705 /nfs/dbraw/zinc/35/27/05/327352705.db2.gz JWOFOTFPHANEFX-SNVBAGLBSA-N 0 1 278.343 3.534 20 0 CHADMN CCOC(=O)[C@@H](CC)Sc1nc2ccc(Cl)cc2[nH]1 ZINC000560991078 327356955 /nfs/dbraw/zinc/35/69/55/327356955.db2.gz RVNQALOTMJWNRY-LLVKDONJSA-N 0 1 298.795 3.650 20 0 CHADMN CCCC(C)(C)CC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000427431909 327376023 /nfs/dbraw/zinc/37/60/23/327376023.db2.gz OOXWNXGRRGSEDJ-NEPJUHHUSA-N 0 1 294.443 3.712 20 0 CHADMN COC[C@@H]1CCN1Cc1cc(-c2ccccc2)ccc1OC ZINC000561314227 327385168 /nfs/dbraw/zinc/38/51/68/327385168.db2.gz BHGIFTKAFMFTPY-SFHVURJKSA-N 0 1 297.398 3.583 20 0 CHADMN C[C@@H](NC1CCC2(CCCC2)CC1)c1csnn1 ZINC000334847610 327395238 /nfs/dbraw/zinc/39/52/38/327395238.db2.gz OHQHVDCJSTXHHC-LLVKDONJSA-N 0 1 265.426 3.692 20 0 CHADMN Cc1ncc(CN[C@H]2CC[C@H](C)c3ccccc32)o1 ZINC000335282542 327408143 /nfs/dbraw/zinc/40/81/43/327408143.db2.gz ZHDRALPHJUGUIR-ZBEGNZNMSA-N 0 1 256.349 3.711 20 0 CHADMN Fc1cc(F)c(CN[C@@H]2CC[C@H]2C2CC2)c(F)c1F ZINC000562066092 327446263 /nfs/dbraw/zinc/44/62/63/327446263.db2.gz YPBGRVDTVJLYMP-QPUJVOFHSA-N 0 1 273.273 3.521 20 0 CHADMN CCOc1ncccc1CN[C@H](C)c1ccc(CC)s1 ZINC000151218615 327458740 /nfs/dbraw/zinc/45/87/40/327458740.db2.gz JUIWDNJFWMXGSF-GFCCVEGCSA-N 0 1 290.432 3.955 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1ccsc1C ZINC000294195996 327513128 /nfs/dbraw/zinc/51/31/28/327513128.db2.gz RFPGZODEFYZSEA-LLVKDONJSA-N 0 1 261.390 3.916 20 0 CHADMN Cc1ccc2oc(CN[C@H]3CCCc4nn(C)cc43)cc2c1 ZINC000570108128 327569994 /nfs/dbraw/zinc/56/99/94/327569994.db2.gz UMQUXQAEPMQKGL-INIZCTEOSA-N 0 1 295.386 3.642 20 0 CHADMN Cc1ccsc1CNCc1cccc(F)c1F ZINC000113427550 328616982 /nfs/dbraw/zinc/61/69/82/328616982.db2.gz OPCPPONOGABKRT-UHFFFAOYSA-N 0 1 253.317 3.625 20 0 CHADMN Cn1cccc1CN1CCC(=Cc2ccccc2F)CC1 ZINC000535819813 328639702 /nfs/dbraw/zinc/63/97/02/328639702.db2.gz KAUKRHCGTWLZCJ-UHFFFAOYSA-N 0 1 284.378 3.844 20 0 CHADMN CC[C@@H](COC)NCc1c(Cl)cccc1Cl ZINC000070658047 328715608 /nfs/dbraw/zinc/71/56/08/328715608.db2.gz PHGSKEBVRZFFCJ-VIFPVBQESA-N 0 1 262.180 3.508 20 0 CHADMN Fc1cccc(C2(CNCc3cocn3)CCCCC2)c1 ZINC000192296334 328727724 /nfs/dbraw/zinc/72/77/24/328727724.db2.gz TUHOKGIRDTVILM-UHFFFAOYSA-N 0 1 288.366 3.805 20 0 CHADMN COc1ccccc1C(C)(C)NCc1ccccc1N(C)C ZINC000103171852 328763679 /nfs/dbraw/zinc/76/36/79/328763679.db2.gz SLEIISXSRCMSSU-UHFFFAOYSA-N 0 1 298.430 3.786 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1ccncn1 ZINC000395879000 328771176 /nfs/dbraw/zinc/77/11/76/328771176.db2.gz GQWCCAQHKXEYHG-UONOGXRCSA-N 0 1 281.403 3.767 20 0 CHADMN C[C@H](N[C@@H](C)c1ccncn1)c1cccc(C(F)(F)F)c1 ZINC000395915707 328777275 /nfs/dbraw/zinc/77/72/75/328777275.db2.gz RDLOMFMDXKQXPJ-QWRGUYRKSA-N 0 1 295.308 3.907 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccncn1)c1cccc(Cl)c1 ZINC000395960653 328791215 /nfs/dbraw/zinc/79/12/15/328791215.db2.gz IRZTTYSPXNZVDJ-FZMZJTMJSA-N 0 1 275.783 3.932 20 0 CHADMN Cc1c2ccccc2oc1CN[C@H](C)c1cncnc1C ZINC000563974853 328842345 /nfs/dbraw/zinc/84/23/45/328842345.db2.gz ALLSSHFNQYENCV-GFCCVEGCSA-N 0 1 281.359 3.690 20 0 CHADMN Fc1cccc(CN[C@@H]2CCc3c2c(F)ccc3F)c1 ZINC000507829178 332826735 /nfs/dbraw/zinc/82/67/35/332826735.db2.gz IOWHVPMNOWULJR-OAHLLOKOSA-N 0 1 277.289 3.881 20 0 CHADMN CC[C@H](NCc1ccoc1C)c1ccc(OC)c(OC)c1 ZINC000358024653 328880979 /nfs/dbraw/zinc/88/09/79/328880979.db2.gz RXDBYDQQXQWJSA-HNNXBMFYSA-N 0 1 289.375 3.846 20 0 CHADMN CC(C)[C@@H](C)CN[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000507918315 332829787 /nfs/dbraw/zinc/82/97/87/332829787.db2.gz MIINKUCPPUSMAR-XJKSGUPXSA-N 0 1 289.398 3.530 20 0 CHADMN C[C@@H](c1cnccn1)N1CCC(c2ccc(F)cc2)CC1 ZINC000375106537 329000774 /nfs/dbraw/zinc/00/07/74/329000774.db2.gz VIINPFZFNKKVKC-ZDUSSCGKSA-N 0 1 285.366 3.556 20 0 CHADMN c1nc2n(c1CN[C@@H]1CCSc3ccccc31)CCCC2 ZINC000375270154 329002312 /nfs/dbraw/zinc/00/23/12/329002312.db2.gz UJJIUBWXKVRCIL-OAHLLOKOSA-N 0 1 299.443 3.546 20 0 CHADMN COc1ccc([C@H](C)NCc2csc(C)c2)c(OC)c1 ZINC000392791189 329014376 /nfs/dbraw/zinc/01/43/76/329014376.db2.gz GFZSUPQXZQOYGE-LBPRGKRZSA-N 0 1 291.416 3.925 20 0 CHADMN Fc1ccc(CN2CCC(c3cn[nH]c3)CC2)c(Cl)c1 ZINC000377499325 329016839 /nfs/dbraw/zinc/01/68/39/329016839.db2.gz YZSHFXVSRTTYJQ-UHFFFAOYSA-N 0 1 293.773 3.582 20 0 CHADMN c1coc(-c2nc(CN3CCC[C@H]3C3CC3)cs2)c1 ZINC000377533308 329017929 /nfs/dbraw/zinc/01/79/29/329017929.db2.gz HSULMADKMAFXMZ-ZDUSSCGKSA-N 0 1 274.389 3.778 20 0 CHADMN Cc1cc(CN[C@@H]2c3ccccc3O[C@@H]2C)cc(C)c1O ZINC000377921943 329034827 /nfs/dbraw/zinc/03/48/27/329034827.db2.gz TXNKDIACYJBAKZ-DYVFJYSZSA-N 0 1 283.371 3.621 20 0 CHADMN CC(C)(C)c1ncc(CN2CC3(CCC3)[C@H]2C2CC2)cn1 ZINC000378152456 329041454 /nfs/dbraw/zinc/04/14/54/329041454.db2.gz YSJUPFBJIHKEMI-OAHLLOKOSA-N 0 1 285.435 3.539 20 0 CHADMN C[C@H](c1cccnc1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000378396616 329048848 /nfs/dbraw/zinc/04/88/48/329048848.db2.gz OYHUCCYLMMBZNH-CYBMUJFWSA-N 0 1 299.805 3.980 20 0 CHADMN C=Cn1cc(CN2CCS[C@@H](C)[C@@H]2c2ccccc2)cn1 ZINC000193984349 329064674 /nfs/dbraw/zinc/06/46/74/329064674.db2.gz NXOAVVLKEDLSTA-WMLDXEAASA-N 0 1 299.443 3.662 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1cc(C)c(C(=O)[O-])o1 ZINC000583699032 329069471 /nfs/dbraw/zinc/06/94/71/329069471.db2.gz YUEYVUQTLQXRIL-RISCZKNCSA-N 0 1 279.380 3.687 20 0 CHADMN Cc1ccc(CNCc2nc(-c3ccccc3)c[nH]2)c(C)c1 ZINC000194242929 329074020 /nfs/dbraw/zinc/07/40/20/329074020.db2.gz PEJJEJWCUVLWLH-UHFFFAOYSA-N 0 1 291.398 3.983 20 0 CHADMN c1coc(-c2nnc(CN3CCC[C@]4(CC=CCC4)C3)o2)c1 ZINC000172283965 329084483 /nfs/dbraw/zinc/08/44/83/329084483.db2.gz AGWDFSVOMVWWHV-QGZVFWFLSA-N 0 1 299.374 3.652 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000582490661 329097448 /nfs/dbraw/zinc/09/74/48/329097448.db2.gz KIOOJOCGJQAHED-AWEZNQCLSA-N 0 1 287.384 3.783 20 0 CHADMN COCC1(CCN[C@H](CCc2ccccc2)C(F)F)CC1 ZINC000582545713 329105155 /nfs/dbraw/zinc/10/51/55/329105155.db2.gz CKEJGTUQLDDZOZ-OAHLLOKOSA-N 0 1 297.389 3.659 20 0 CHADMN Cc1nsc(C)c1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000582733873 329129741 /nfs/dbraw/zinc/12/97/41/329129741.db2.gz NNUVDOBZMSSENT-CYBMUJFWSA-N 0 1 290.407 3.889 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@H]2c2ccsc2)cc1C(=O)[O-] ZINC000582729884 329132027 /nfs/dbraw/zinc/13/20/27/329132027.db2.gz IREIEOHDMTXNIM-AWEZNQCLSA-N 0 1 291.372 3.685 20 0 CHADMN Cc1nnc(S[C@H](C)c2ncc(-c3ccccc3)o2)[nH]1 ZINC000172699540 329136679 /nfs/dbraw/zinc/13/66/79/329136679.db2.gz DVUSPBMHZQCHLJ-SECBINFHSA-N 0 1 286.360 3.621 20 0 CHADMN Cc1n[nH]c(S[C@H](C)c2ncc(-c3ccccc3)o2)n1 ZINC000172699540 329136680 /nfs/dbraw/zinc/13/66/80/329136680.db2.gz DVUSPBMHZQCHLJ-SECBINFHSA-N 0 1 286.360 3.621 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(-c3ccco3)on2)[C@@H]1C ZINC000172855551 329139511 /nfs/dbraw/zinc/13/95/11/329139511.db2.gz YNBXXZSIHJXREH-VXGBXAGGSA-N 0 1 260.337 3.555 20 0 CHADMN CC[C@@H](N[C@@H](CC)c1ccc(OC)cc1)c1ccn(C)n1 ZINC000542671242 329148526 /nfs/dbraw/zinc/14/85/26/329148526.db2.gz PSOZULZPLBEMGI-JKSUJKDBSA-N 0 1 287.407 3.621 20 0 CHADMN Cc1nc(CN2CCC3(CCCC3)C2)nc2ccccc12 ZINC000173827259 329152578 /nfs/dbraw/zinc/15/25/78/329152578.db2.gz PQIZHOIUCYDOTD-UHFFFAOYSA-N 0 1 281.403 3.704 20 0 CHADMN CC1CCC(N(Cc2cscn2)C[C@H]2CCCO2)CC1 ZINC000173865407 329152967 /nfs/dbraw/zinc/15/29/67/329152967.db2.gz UKZFNKPCGVUMET-AVVWSFFYSA-N 0 1 294.464 3.703 20 0 CHADMN CCn1cccc1CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000582765765 329154890 /nfs/dbraw/zinc/15/48/90/329154890.db2.gz MXUVGQUFIUVINN-DOMZBBRYSA-N 0 1 258.365 3.514 20 0 CHADMN CC(C)c1nc(CN(C)[C@@H](C)C2(C)CC2)cs1 ZINC000177230222 329182263 /nfs/dbraw/zinc/18/22/63/329182263.db2.gz IVJJTCUGWZEOHK-NSHDSACASA-N 0 1 252.427 3.887 20 0 CHADMN COc1cccc(CNCc2cccc(Cl)c2F)c1 ZINC000135235901 329161503 /nfs/dbraw/zinc/16/15/03/329161503.db2.gz MTISACHCDNXCBT-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN CCN(Cc1cc2ccccc2o1)Cc1ccccn1 ZINC000175173628 329165954 /nfs/dbraw/zinc/16/59/54/329165954.db2.gz WCVAAPMFIINZES-UHFFFAOYSA-N 0 1 266.344 3.850 20 0 CHADMN COc1ncccc1CN(Cc1ccccc1)C(C)C ZINC000176454293 329175768 /nfs/dbraw/zinc/17/57/68/329175768.db2.gz MAUSULQTDNOGTJ-UHFFFAOYSA-N 0 1 270.376 3.501 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccc1-n1cccn1)c1ccccn1 ZINC000177180263 329181490 /nfs/dbraw/zinc/18/14/90/329181490.db2.gz KMVBXQPIXSPTHO-HUUCEWRRSA-N 0 1 292.386 3.679 20 0 CHADMN CCO[C@@H](C)c1nc(CN2C[C@@H]3CCCC[C@@H]3C2)cs1 ZINC000177530589 329185270 /nfs/dbraw/zinc/18/52/70/329185270.db2.gz CEXWUSQJLFHIHT-MELADBBJSA-N 0 1 294.464 3.863 20 0 CHADMN COc1c(C)cc(CN(C)[C@H](C)c2ccccn2)cc1C ZINC000177274075 329185603 /nfs/dbraw/zinc/18/56/03/329185603.db2.gz NCKSKIJTLRAINZ-OAHLLOKOSA-N 0 1 284.403 3.900 20 0 CHADMN CO[C@H](C)c1nc(CN(C)[C@@H]2CCCC[C@H]2C)cs1 ZINC000177649338 329188759 /nfs/dbraw/zinc/18/87/59/329188759.db2.gz XGYXAYYMTPKCFB-YRGRVCCFSA-N 0 1 282.453 3.861 20 0 CHADMN CCO[C@H]1C[C@H](N(C)Cc2nc(C)c(C)s2)C12CCC2 ZINC000177673115 329189040 /nfs/dbraw/zinc/18/90/40/329189040.db2.gz BADCGLRWVYCOKW-KBPBESRZSA-N 0 1 294.464 3.539 20 0 CHADMN CCOc1ccc2c(c1)[C@H](N[C@@H](C)c1ccncc1)CCO2 ZINC000178129059 329196607 /nfs/dbraw/zinc/19/66/07/329196607.db2.gz BLGMWCPWXAMXLK-SUMWQHHRSA-N 0 1 298.386 3.655 20 0 CHADMN CCOc1ccc2c(c1)[C@@H](N[C@H](C)c1cccnc1)CCO2 ZINC000178313808 329198623 /nfs/dbraw/zinc/19/86/23/329198623.db2.gz RTAOMVSHSJAJPG-DYVFJYSZSA-N 0 1 298.386 3.655 20 0 CHADMN C[C@H](N[C@H](CO)c1ccccc1)c1ccc2ccccc2n1 ZINC000178351312 329199149 /nfs/dbraw/zinc/19/91/49/329199149.db2.gz IAIYUKUXLRHYPA-IFXJQAMLSA-N 0 1 292.382 3.619 20 0 CHADMN C[C@H](NCc1cccc(O)c1)c1ccc2ccccc2n1 ZINC000178406910 329199715 /nfs/dbraw/zinc/19/97/15/329199715.db2.gz SGRBARVTFLHWFZ-ZDUSSCGKSA-N 0 1 278.355 3.791 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1csc(C2CC2)n1 ZINC000179250614 329206808 /nfs/dbraw/zinc/20/68/08/329206808.db2.gz GNSGDFMSCNQNKW-WDEREUQCSA-N 0 1 250.411 3.641 20 0 CHADMN C[C@@H](N[C@H]1CCCOc2cc(F)ccc21)c1ccoc1 ZINC000179962006 329214007 /nfs/dbraw/zinc/21/40/07/329214007.db2.gz MIHKTIXMNRTIDH-ABAIWWIYSA-N 0 1 275.323 3.983 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000222058788 329220033 /nfs/dbraw/zinc/22/00/33/329220033.db2.gz HVMFRHLGLABJSY-IQJOONFLSA-N 0 1 261.287 3.834 20 0 CHADMN CCN(Cc1nnc(C2CC2)n1C1CC1)C1CCCCC1 ZINC000181097878 329225971 /nfs/dbraw/zinc/22/59/71/329225971.db2.gz BOKIIRAHBJVMFX-UHFFFAOYSA-N 0 1 288.439 3.645 20 0 CHADMN C[C@@H]1CCC[C@H](C)CN1Cc1nnc(C2CC2)n1C1CC1 ZINC000181377463 329232296 /nfs/dbraw/zinc/23/22/96/329232296.db2.gz PFOIGBJKPWKRDI-QWHCGFSZSA-N 0 1 288.439 3.501 20 0 CHADMN C[C@@H](CC1CCCCC1)CN1CCC[C@@H]1c1nncn1C ZINC000183382273 329247304 /nfs/dbraw/zinc/24/73/04/329247304.db2.gz JUBJMRYDVVHZEH-GOEBONIOSA-N 0 1 290.455 3.559 20 0 CHADMN CN(Cc1cc2ccccc2s1)Cc1ccncc1 ZINC000183740988 329249973 /nfs/dbraw/zinc/24/99/73/329249973.db2.gz UCHXZSOEIBPQJQ-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN Cc1ccccc1C[C@H](C)NCc1ncc(Cl)s1 ZINC000225316710 329250889 /nfs/dbraw/zinc/25/08/89/329250889.db2.gz MTARNCKDHFFAON-NSHDSACASA-N 0 1 280.824 3.826 20 0 CHADMN CC[C@@H](C)[C@H](C)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000184238145 329258146 /nfs/dbraw/zinc/25/81/46/329258146.db2.gz LFZQDENWZPCBQY-KOLCDFICSA-N 0 1 289.379 3.907 20 0 CHADMN CC(C)C[C@H]1OCCC[C@H]1NCc1csc(C2CC2)n1 ZINC000185193594 329267222 /nfs/dbraw/zinc/26/72/22/329267222.db2.gz SOPCAOOUUSYGBP-HUUCEWRRSA-N 0 1 294.464 3.704 20 0 CHADMN CC(C)C[C@H]1OCCC[C@H]1NCc1ncc(C(C)C)s1 ZINC000185200238 329267516 /nfs/dbraw/zinc/26/75/16/329267516.db2.gz DFFVDRMSQTUNMF-ZIAGYGMSSA-N 0 1 296.480 3.950 20 0 CHADMN CC(C)O[C@H]1C[C@H](NCc2nc(C3CC3)cs2)C1(C)C ZINC000185245671 329269381 /nfs/dbraw/zinc/26/93/81/329269381.db2.gz YCRHRYROVQGLGT-KBPBESRZSA-N 0 1 294.464 3.702 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2CCC[C@H]1C)c1nccn1C ZINC000185285329 329270173 /nfs/dbraw/zinc/27/01/73/329270173.db2.gz VLZOHRDEXMUCCK-KEYYUXOJSA-N 0 1 283.419 3.784 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H](C)c2oc3ccccc3c2C)n[nH]1 ZINC000392359787 329326778 /nfs/dbraw/zinc/32/67/78/329326778.db2.gz WTHAVIUJKJVNID-WDEREUQCSA-N 0 1 284.363 3.580 20 0 CHADMN CC[C@H]1[C@H](C)CCN1Cc1csc(C(C)C)n1 ZINC000185601456 329327857 /nfs/dbraw/zinc/32/78/57/329327857.db2.gz DCFAEVIHWFLPBI-YPMHNXCESA-N 0 1 252.427 3.887 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccsc1)c1cncc(F)c1 ZINC000227834661 329329417 /nfs/dbraw/zinc/32/94/17/329329417.db2.gz OXGVJKBHSKVWPQ-VHSXEESVSA-N 0 1 250.342 3.694 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000392451671 329341272 /nfs/dbraw/zinc/34/12/72/329341272.db2.gz HAGFOGQIKSJZGK-BDAKNGLRSA-N 0 1 298.312 3.544 20 0 CHADMN Cc1ccc(CN2CCCC[C@H]2c2cccn2C)c(C)n1 ZINC000187107881 329353236 /nfs/dbraw/zinc/35/32/36/329353236.db2.gz GGCDQJBTPKHKPU-SFHVURJKSA-N 0 1 283.419 3.764 20 0 CHADMN C[C@@H](c1cccc(Br)c1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000187804403 329360933 /nfs/dbraw/zinc/36/09/33/329360933.db2.gz YFPWFZFWBMYXDN-FZMZJTMJSA-N 0 1 298.224 3.621 20 0 CHADMN Fc1ccc(CNCCC(F)(F)F)c(Cl)c1 ZINC000063100040 329366133 /nfs/dbraw/zinc/36/61/33/329366133.db2.gz JYMURUFQFSYFJC-UHFFFAOYSA-N 0 1 255.642 3.521 20 0 CHADMN Cc1ncncc1[C@@H](C)NCc1ccc(C(C)(C)C)cc1 ZINC000583214908 329370428 /nfs/dbraw/zinc/37/04/28/329370428.db2.gz VOFYAHXHOCFKBJ-CYBMUJFWSA-N 0 1 283.419 3.933 20 0 CHADMN Cc1cccc2c1OCC[C@H]2NCc1ccc(F)c(F)c1 ZINC000188876669 329373997 /nfs/dbraw/zinc/37/39/97/329373997.db2.gz ANVSQDPAUDWGCL-MRXNPFEDSA-N 0 1 289.325 3.887 20 0 CHADMN CN(Cc1ncc(C(C)(C)C)o1)C1CCC(F)(F)CC1 ZINC000583222118 329378677 /nfs/dbraw/zinc/37/86/77/329378677.db2.gz ZSPQXGQIRJFOHH-UHFFFAOYSA-N 0 1 286.366 3.982 20 0 CHADMN C[C@H]1C[C@@H](c2cccnc2)N(Cc2cnn(C(C)(C)C)c2)C1 ZINC000190002044 329391747 /nfs/dbraw/zinc/39/17/47/329391747.db2.gz BPPVRGQYBLTZMD-YOEHRIQHSA-N 0 1 298.434 3.616 20 0 CHADMN Cc1nnc(CNC(C)(C)CC2CCCCCC2)o1 ZINC000190027771 329391933 /nfs/dbraw/zinc/39/19/33/329391933.db2.gz BDIZFNXAWHWXFR-UHFFFAOYSA-N 0 1 265.401 3.607 20 0 CHADMN Cc1ncc(CN[C@H]2CCCc3c4ccccc4[nH]c32)o1 ZINC000397963340 329425840 /nfs/dbraw/zinc/42/58/40/329425840.db2.gz WGDIAUPOQYGSRD-INIZCTEOSA-N 0 1 281.359 3.632 20 0 CHADMN C[C@@H](NCc1csc(Br)c1)c1ccncc1 ZINC000036867817 329548863 /nfs/dbraw/zinc/54/88/63/329548863.db2.gz XEXGZXCUUJCKST-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN CC[C@@H](NCc1cc(C)no1)c1ccc(OC(F)F)cc1 ZINC000125671300 329585914 /nfs/dbraw/zinc/58/59/14/329585914.db2.gz LEXOYPKXNBJBTP-CQSZACIVSA-N 0 1 296.317 3.825 20 0 CHADMN Cc1ccn(-c2ccccc2CN[C@@H](C)c2ccc(C)o2)n1 ZINC000127623279 329601303 /nfs/dbraw/zinc/60/13/03/329601303.db2.gz YFROXENVIHVWMQ-HNNXBMFYSA-N 0 1 295.386 3.933 20 0 CHADMN Cc1ccc(CNCc2cccc(-c3ccccn3)c2)o1 ZINC000130228157 329623734 /nfs/dbraw/zinc/62/37/34/329623734.db2.gz GMJWGBUUAGESDQ-UHFFFAOYSA-N 0 1 278.355 3.940 20 0 CHADMN CC1(C)CCC[C@H](CNCc2nccc(C(F)F)n2)C1 ZINC000564119444 329677502 /nfs/dbraw/zinc/67/75/02/329677502.db2.gz LHPQVPINJKQWSQ-NSHDSACASA-N 0 1 283.366 3.720 20 0 CHADMN COc1ccnc(CN[C@H](C)c2ccc(C3CC3)cc2)c1 ZINC000419351691 329719299 /nfs/dbraw/zinc/71/92/99/329719299.db2.gz JMIGDTIUBTTYIT-CYBMUJFWSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1ccc(-c2noc([C@@H](C)NCC[C@H](C)F)n2)cc1F ZINC000509604747 332875056 /nfs/dbraw/zinc/87/50/56/332875056.db2.gz NXTGFFSLWKGPKK-WDEREUQCSA-N 0 1 295.333 3.583 20 0 CHADMN COc1cncc(CN[C@@H](CC(F)F)c2ccccc2)c1 ZINC000420999419 329797304 /nfs/dbraw/zinc/79/73/04/329797304.db2.gz UUOCKPVDCLCJJP-HNNXBMFYSA-N 0 1 292.329 3.576 20 0 CHADMN OC[C@H](NCc1cccc(C2CC2)c1)c1cccc(F)c1 ZINC000421338197 329813607 /nfs/dbraw/zinc/81/36/07/329813607.db2.gz BUZPQNVSINNURF-SFHVURJKSA-N 0 1 285.362 3.526 20 0 CHADMN Cc1nc(C(C)(C)NCCOc2ccccc2)sc1C ZINC000072865480 329859625 /nfs/dbraw/zinc/85/96/25/329859625.db2.gz VJNKCSHCJFZJFH-UHFFFAOYSA-N 0 1 290.432 3.664 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1cccc(Cl)c1 ZINC000246872844 329871961 /nfs/dbraw/zinc/87/19/61/329871961.db2.gz DBDRSUAOPNOTEO-JECHBYEQSA-N 0 1 287.790 3.649 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cccc(O)c1 ZINC000249653424 329909012 /nfs/dbraw/zinc/90/90/12/329909012.db2.gz YVXUXJWGWLPXSD-KYNGSXCRSA-N 0 1 297.398 3.963 20 0 CHADMN Cc1ccsc1[C@H](Cc1ccccc1)NCc1ncc[nH]1 ZINC000076904037 329916188 /nfs/dbraw/zinc/91/61/88/329916188.db2.gz NHCLEYPEZYWJPQ-HNNXBMFYSA-N 0 1 297.427 3.853 20 0 CHADMN CC(C)CC1(C(=O)Nc2cc(Cl)c(O)cc2F)CC1 ZINC000571829504 329923799 /nfs/dbraw/zinc/92/37/99/329923799.db2.gz OTKGQVPOABQGTN-UHFFFAOYSA-N 0 1 285.746 3.950 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cscn1 ZINC000162349565 330001518 /nfs/dbraw/zinc/00/15/18/330001518.db2.gz LKWZIDKQSRLVFQ-LPEHRKFASA-N 0 1 278.343 3.915 20 0 CHADMN CCC(C)(C)CC[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000262466594 330015051 /nfs/dbraw/zinc/01/50/51/330015051.db2.gz GIFPMEBGGROZQX-MJBXVCDLSA-N 0 1 267.413 3.530 20 0 CHADMN CCCCN(CCCC)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432822224 330044785 /nfs/dbraw/zinc/04/47/85/330044785.db2.gz MBNSQCDXWITUHI-UHFFFAOYSA-N 0 1 266.433 3.504 20 0 CHADMN C[C@@H]1CCC[C@@H](CC[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)C1 ZINC000263176671 330047435 /nfs/dbraw/zinc/04/74/35/330047435.db2.gz SSMYGYRATQFMMC-PMPSAXMXSA-N 0 1 281.440 3.780 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cc2ccccc2s1 ZINC000263346889 330052643 /nfs/dbraw/zinc/05/26/43/330052643.db2.gz OVQSVHXEQLJXCC-YPMHNXCESA-N 0 1 289.400 3.586 20 0 CHADMN CC(C)[C@H]1[N@@H+](Cc2ccc(C(=O)[O-])cc2)CC12CCCC2 ZINC000263395934 330054194 /nfs/dbraw/zinc/05/41/94/330054194.db2.gz GNSMCMXOOSYQDS-MRXNPFEDSA-N 0 1 287.403 3.785 20 0 CHADMN CCC[N@H+](CC(=O)[O-])C[C@@H](CC(C)C)c1ccccc1 ZINC000263412946 330054675 /nfs/dbraw/zinc/05/46/75/330054675.db2.gz MATPRXYXBNONID-MRXNPFEDSA-N 0 1 277.408 3.613 20 0 CHADMN CC(C)C[C@@H](C[N@H+]1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000263418517 330054808 /nfs/dbraw/zinc/05/48/08/330054808.db2.gz OBGTZFMHWCUVTB-IRXDYDNUSA-N 0 1 289.419 3.755 20 0 CHADMN Cc1ccccc1-c1ccccc1C[N@H+](C)[C@H](C)C(=O)[O-] ZINC000263428455 330055242 /nfs/dbraw/zinc/05/52/42/330055242.db2.gz RISHZKWULXSBJJ-CQSZACIVSA-N 0 1 283.371 3.567 20 0 CHADMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CC1 ZINC000263444601 330056337 /nfs/dbraw/zinc/05/63/37/330056337.db2.gz FOMBCGZKMVDTLM-QWHCGFSZSA-N 0 1 275.392 3.784 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263499341 330057869 /nfs/dbraw/zinc/05/78/69/330057869.db2.gz UYHWVBIMVDVEJT-KBXCAEBGSA-N 0 1 295.382 3.763 20 0 CHADMN Clc1cc2c(c(CN3CC(C4CCC4)C3)c1)OCC2 ZINC000572408103 330064674 /nfs/dbraw/zinc/06/46/74/330064674.db2.gz MSTKDAOJIUQKAO-UHFFFAOYSA-N 0 1 277.795 3.507 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccncc2Cl)cc1 ZINC000421806593 330078564 /nfs/dbraw/zinc/07/85/64/330078564.db2.gz ZWFRSAHNKPWRBB-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccncc2Cl)cc1 ZINC000421803733 330080899 /nfs/dbraw/zinc/08/08/99/330080899.db2.gz RLFFBQQKNCZWFF-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN COc1ccc([C@@H](NCc2cccnc2)C(C)C)c(F)c1 ZINC000421804020 330080942 /nfs/dbraw/zinc/08/09/42/330080942.db2.gz SMAOPOHYGJBDLM-KRWDZBQOSA-N 0 1 288.366 3.716 20 0 CHADMN Cc1ccccc1CN[C@@H](C)c1ccncc1Cl ZINC000421813552 330085468 /nfs/dbraw/zinc/08/54/68/330085468.db2.gz GTKZZDNQIGMOJH-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN COc1cc(Cl)ccc1[C@H](C)N[C@@H]1CCC[C@@H]1F ZINC000421857594 330089602 /nfs/dbraw/zinc/08/96/02/330089602.db2.gz PJSKFGNLEXKPOM-TVYUQYBPSA-N 0 1 271.763 3.890 20 0 CHADMN Cc1nc([C@H](C)Sc2ccc3c(c2)CCCC3)n[nH]1 ZINC000421844767 330094855 /nfs/dbraw/zinc/09/48/55/330094855.db2.gz UQPUZUHGCNODRQ-JTQLQIEISA-N 0 1 273.405 3.845 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(C)nc(C)c2)c(F)c1 ZINC000421888578 330096671 /nfs/dbraw/zinc/09/66/71/330096671.db2.gz TYFFYVHRWARBPF-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN Cc1cc([C@H](C)NCc2cc(C)nc(C)c2)c(C)o1 ZINC000421880137 330102082 /nfs/dbraw/zinc/10/20/82/330102082.db2.gz OBEUTELEZJWXGZ-ZDUSSCGKSA-N 0 1 258.365 3.759 20 0 CHADMN CCCC[N@@H+](CC)Cc1nc2ccc(F)cc2o1 ZINC000162741413 330110866 /nfs/dbraw/zinc/11/08/66/330110866.db2.gz OKPZSCIXSPFNDF-UHFFFAOYSA-N 0 1 250.317 3.589 20 0 CHADMN COC(=O)c1coc(CN(C)[C@H](C)c2ccc(C)cc2)c1 ZINC000171032653 330127791 /nfs/dbraw/zinc/12/77/91/330127791.db2.gz SFHBZWKOBUSGTD-CYBMUJFWSA-N 0 1 287.359 3.568 20 0 CHADMN CCc1cnc(C[N@@H+](C)[C@H](C)Cc2cccc(F)c2)s1 ZINC000445410522 330140499 /nfs/dbraw/zinc/14/04/99/330140499.db2.gz FRPFPXAMXQVYSP-GFCCVEGCSA-N 0 1 292.423 3.908 20 0 CHADMN CCc1cnc(CN(C)[C@H](C)Cc2cccc(F)c2)s1 ZINC000445410522 330140500 /nfs/dbraw/zinc/14/05/00/330140500.db2.gz FRPFPXAMXQVYSP-GFCCVEGCSA-N 0 1 292.423 3.908 20 0 CHADMN C[C@H](c1ccc(Oc2ccccc2)cc1)[N@@H+](C)CCC(=O)[O-] ZINC000580467406 330143755 /nfs/dbraw/zinc/14/37/55/330143755.db2.gz XWWHBGPPHQYKER-CQSZACIVSA-N 0 1 299.370 3.946 20 0 CHADMN C[C@@H](N[C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccccn1 ZINC000423444894 330202014 /nfs/dbraw/zinc/20/20/14/330202014.db2.gz RNVBFIJGIXPRLW-WBMJQRKESA-N 0 1 297.402 3.617 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(C)cc(N)c2)c(F)c1 ZINC000423490654 330207177 /nfs/dbraw/zinc/20/71/77/330207177.db2.gz XWLZHXZLLHEHLX-GFCCVEGCSA-N 0 1 288.366 3.576 20 0 CHADMN CC1(C)C[C@H](NCc2cc(Cl)sc2Cl)CO1 ZINC000396815531 330227182 /nfs/dbraw/zinc/22/71/82/330227182.db2.gz SRGFZPQFAJVLJX-QMMMGPOBSA-N 0 1 280.220 3.712 20 0 CHADMN Cc1cc(C)c(CNCc2ccccc2OC(F)F)cn1 ZINC000397109114 330239002 /nfs/dbraw/zinc/23/90/02/330239002.db2.gz SEOQTMMKGQZNNF-UHFFFAOYSA-N 0 1 292.329 3.590 20 0 CHADMN C[C@@H]1C[C@H](C)N1CCCc1c(F)cccc1Cl ZINC000527238700 330240517 /nfs/dbraw/zinc/24/05/17/330240517.db2.gz PBXRVVAFGQLVJM-PHIMTYICSA-N 0 1 255.764 3.894 20 0 CHADMN CN[C@H](c1ccccc1Cl)c1ccc(OC)cc1OC ZINC000035488771 330247201 /nfs/dbraw/zinc/24/72/01/330247201.db2.gz VAIAIVLPHPJNKN-MRXNPFEDSA-N 0 1 291.778 3.666 20 0 CHADMN CC(C)CCc1nc(CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cs1 ZINC000528756048 330252468 /nfs/dbraw/zinc/25/24/68/330252468.db2.gz MNVUNLPCBHZFDQ-FOCJUVANSA-N 0 1 296.480 3.633 20 0 CHADMN CC(C)n1nccc1CNCc1cc2ccccc2o1 ZINC000527514293 330255919 /nfs/dbraw/zinc/25/59/19/330255919.db2.gz QAIQJBOVNFPMHG-UHFFFAOYSA-N 0 1 269.348 3.500 20 0 CHADMN CC[N@@H+](CCc1ccncc1C)Cc1c(F)cccc1F ZINC000520803512 330256024 /nfs/dbraw/zinc/25/60/24/330256024.db2.gz FKVGWUZTFSSIDQ-UHFFFAOYSA-N 0 1 290.357 3.733 20 0 CHADMN CCN(CCc1ccncc1C)Cc1c(F)cccc1F ZINC000520803512 330256026 /nfs/dbraw/zinc/25/60/26/330256026.db2.gz FKVGWUZTFSSIDQ-UHFFFAOYSA-N 0 1 290.357 3.733 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](CO)c2cccc(F)c2)cc1C ZINC000536867281 330258804 /nfs/dbraw/zinc/25/88/04/330258804.db2.gz CPYKXTLJDSPMKJ-KBXCAEBGSA-N 0 1 287.378 3.827 20 0 CHADMN Cc1cc(CN2CC[C@H](C(F)(F)F)C[C@H]2C)ccn1 ZINC000527540920 330261215 /nfs/dbraw/zinc/26/12/15/330261215.db2.gz YMOUIQWPJJIARJ-YPMHNXCESA-N 0 1 272.314 3.553 20 0 CHADMN COc1c(C)cc(CN(C)Cc2ccnc(C)c2)cc1C ZINC000527532465 330262403 /nfs/dbraw/zinc/26/24/03/330262403.db2.gz GKVAHOQFJBUDPG-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN CCCOc1ncccc1CNCc1ccc2cc[nH]c2c1 ZINC000527644055 330268826 /nfs/dbraw/zinc/26/88/26/330268826.db2.gz AQPCFGGFTLYGKW-UHFFFAOYSA-N 0 1 295.386 3.642 20 0 CHADMN CCc1noc(CC)c1CNCc1ccc2cc[nH]c2c1 ZINC000527675320 330270097 /nfs/dbraw/zinc/27/00/97/330270097.db2.gz STWFEIDROFQFPH-UHFFFAOYSA-N 0 1 283.375 3.571 20 0 CHADMN CC(C)[C@H](N[C@H](C)[C@@H]1C[C@H]1C1CC1)c1nc(C2CC2)no1 ZINC000527660050 330273699 /nfs/dbraw/zinc/27/36/99/330273699.db2.gz IKKMCHIYCFIMLV-KJEVXHAQSA-N 0 1 289.423 3.668 20 0 CHADMN COc1cc(C)nc(CNCc2ccccc2CC(C)C)c1 ZINC000527733362 330278303 /nfs/dbraw/zinc/27/83/03/330278303.db2.gz OYYHKLSOYCWJKW-UHFFFAOYSA-N 0 1 298.430 3.887 20 0 CHADMN Fc1ccc(F)c(CNCC[C@H]2CCCCO2)c1Cl ZINC000527692298 330279249 /nfs/dbraw/zinc/27/92/49/330279249.db2.gz RTXNFNLMWRCDIN-SNVBAGLBSA-N 0 1 289.753 3.667 20 0 CHADMN C[C@@H]1CC(F)(F)CCN1Cc1cc(-c2ccccc2)no1 ZINC000528771001 330279356 /nfs/dbraw/zinc/27/93/56/330279356.db2.gz VJBWXEONZXAFNT-GFCCVEGCSA-N 0 1 292.329 3.961 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccsc3)cc2[nH]1 ZINC000527760207 330281296 /nfs/dbraw/zinc/28/12/96/330281296.db2.gz ADKIWFIVDISUAI-QWHCGFSZSA-N 0 1 297.383 3.675 20 0 CHADMN Fc1cc2c(cc1Cl)[C@@H](NCc1cccnc1)CC2 ZINC000527846747 330287701 /nfs/dbraw/zinc/28/77/01/330287701.db2.gz YNLAUHOQZSXTIN-HNNXBMFYSA-N 0 1 276.742 3.651 20 0 CHADMN CC[C@@H](C)c1ccc([C@@H](C)NCc2ccnn2C)cc1 ZINC000527850098 330288112 /nfs/dbraw/zinc/28/81/12/330288112.db2.gz NHPQNXOSHBYNHH-ZIAGYGMSSA-N 0 1 271.408 3.784 20 0 CHADMN Cc1cncc(CN[C@@H]2CCc3cc(F)c(Cl)cc32)c1 ZINC000527875318 330291069 /nfs/dbraw/zinc/29/10/69/330291069.db2.gz BSMQOJNRUOWUGT-MRXNPFEDSA-N 0 1 290.769 3.960 20 0 CHADMN C[C@@H](NCCC(C)(F)F)c1cc(-c2ccccc2)n(C)n1 ZINC000527900597 330293333 /nfs/dbraw/zinc/29/33/33/330293333.db2.gz HQCFFDVKFAPDMX-GFCCVEGCSA-N 0 1 293.361 3.783 20 0 CHADMN COCCC1CCN([C@H](C)c2nc(C)sc2C)CC1 ZINC000527937470 330293687 /nfs/dbraw/zinc/29/36/87/330293687.db2.gz VAGZIVCHVOFZCH-LLVKDONJSA-N 0 1 282.453 3.569 20 0 CHADMN Cc1cccc([C@H](N[C@@H](C)c2nccn2C)C(C)C)c1 ZINC000527914985 330295046 /nfs/dbraw/zinc/29/50/46/330295046.db2.gz UOGVUWNXDHZGOF-GOEBONIOSA-N 0 1 271.408 3.776 20 0 CHADMN CC[C@@H](NCc1ccccc1CC(C)C)c1ccn(C)n1 ZINC000527918812 330295407 /nfs/dbraw/zinc/29/54/07/330295407.db2.gz HRQMQHRRQUTWQP-QGZVFWFLSA-N 0 1 285.435 3.860 20 0 CHADMN COCCC1CCN([C@H](C)c2ccc(Cl)cn2)CC1 ZINC000527935154 330297745 /nfs/dbraw/zinc/29/77/45/330297745.db2.gz KJJMUJPHYZIDHC-GFCCVEGCSA-N 0 1 282.815 3.545 20 0 CHADMN c1c[nH]c([C@H](NCC[C@H]2CC=CCC2)c2ccccc2)n1 ZINC000527983193 330298413 /nfs/dbraw/zinc/29/84/13/330298413.db2.gz VPOLMVIYWLMPKE-DOTOQJQBSA-N 0 1 281.403 3.835 20 0 CHADMN c1c[nH]c([C@@H](NCC[C@@H]2CC=CCC2)c2ccccc2)n1 ZINC000527983197 330298470 /nfs/dbraw/zinc/29/84/70/330298470.db2.gz VPOLMVIYWLMPKE-WBVHZDCISA-N 0 1 281.403 3.835 20 0 CHADMN CC[C@H](NCc1cccnc1C)c1cc(C)ccc1OC ZINC000527986247 330298729 /nfs/dbraw/zinc/29/87/29/330298729.db2.gz KPJHXLGAZGNDEB-KRWDZBQOSA-N 0 1 284.403 3.948 20 0 CHADMN C[C@@H](N[C@H](c1ccccn1)C1CCC1)c1cncs1 ZINC000527961938 330300716 /nfs/dbraw/zinc/30/07/16/330300716.db2.gz CJVMKYMOVNGVHW-ABAIWWIYSA-N 0 1 273.405 3.730 20 0 CHADMN CO[C@@H](c1ccccc1)[C@@H](C)N[C@@H](C)c1ncccc1F ZINC000528034660 330302360 /nfs/dbraw/zinc/30/23/60/330302360.db2.gz AMJOVJXAPUJPDU-OGHNNQOOSA-N 0 1 288.366 3.648 20 0 CHADMN CC1(C)CC(CN2CCO[C@@H](c3cccs3)C2)C1 ZINC000528403406 330303269 /nfs/dbraw/zinc/30/32/69/330303269.db2.gz LAPPWLTZXSTEHK-CYBMUJFWSA-N 0 1 265.422 3.558 20 0 CHADMN C/C(Cl)=C/CN1CCC([C@H](O)c2ccccc2C)CC1 ZINC000528501736 330318308 /nfs/dbraw/zinc/31/83/08/330318308.db2.gz DBZRTCKJBJJDLN-ROOCWEIGSA-N 0 1 293.838 3.883 20 0 CHADMN CN(Cc1cc(CO)ccc1F)[C@@H]1CCCc2ccccc21 ZINC000528340547 330319553 /nfs/dbraw/zinc/31/95/53/330319553.db2.gz RKYLZGADPIWPJF-LJQANCHMSA-N 0 1 299.389 3.827 20 0 CHADMN COc1ccc([C@@H](C)NC2CC(F)(F)C2)c(Cl)c1 ZINC000424288838 330334311 /nfs/dbraw/zinc/33/43/11/330334311.db2.gz ZQWMBZXELHRMEP-MRVPVSSYSA-N 0 1 275.726 3.797 20 0 CHADMN COc1ncc(CN(C)Cc2ccc(C)cc2)cc1Cl ZINC000533096678 330334476 /nfs/dbraw/zinc/33/44/76/330334476.db2.gz RSECDOBJZJIFFF-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN CCC(CC)N(Cc1nc(C2CCCC2)no1)C1CC1 ZINC000533100115 330335312 /nfs/dbraw/zinc/33/53/12/330335312.db2.gz BAITUNXNDXUEAX-UHFFFAOYSA-N 0 1 277.412 3.880 20 0 CHADMN CC(C)CCOCCN[C@@H](C)c1cc(F)ccc1F ZINC000045093877 330338459 /nfs/dbraw/zinc/33/84/59/330338459.db2.gz KIHPYWAUBPUQFB-LBPRGKRZSA-N 0 1 271.351 3.678 20 0 CHADMN C[C@@H](N[C@@H]1CC[C@H]1O)c1ccc(Cl)c(Cl)c1Cl ZINC000424314567 330339167 /nfs/dbraw/zinc/33/91/67/330339167.db2.gz KXJXSOHTTRMRMK-BDODKLCJSA-N 0 1 294.609 3.821 20 0 CHADMN C/C(=C/c1nc(C2(N)CCCCC2)no1)c1ccccc1 ZINC000424343025 330342724 /nfs/dbraw/zinc/34/27/24/330342724.db2.gz IUHMSVPDMDQVML-SEYXRHQNSA-N 0 1 283.375 3.748 20 0 CHADMN C[C@H](Cc1nc(C2(N)CCCCC2)no1)c1ccccc1 ZINC000424334789 330343195 /nfs/dbraw/zinc/34/31/95/330343195.db2.gz GEMKCTBMXVWIFE-CYBMUJFWSA-N 0 1 285.391 3.534 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H]2c2nc([C@H](N)CC(C)C)no2)cc1 ZINC000424337995 330343742 /nfs/dbraw/zinc/34/37/42/330343742.db2.gz MHQKNIYDPQGQJR-SOUVJXGZSA-N 0 1 285.391 3.695 20 0 CHADMN C[C@@H](Cc1ccccc1)c1nc(C2(N)CCCCC2)no1 ZINC000424345808 330344711 /nfs/dbraw/zinc/34/47/11/330344711.db2.gz NUOWEDFOHXDWAC-ZDUSSCGKSA-N 0 1 285.391 3.534 20 0 CHADMN C[C@H](C[N@H+]1CCC[C@H](C)[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000424417948 330350737 /nfs/dbraw/zinc/35/07/37/330350737.db2.gz MQXSNVWLGLRMLS-ZOWXZIJZSA-N 0 1 295.810 3.629 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)[C@@H]1C(=O)[O-] ZINC000424425863 330351664 /nfs/dbraw/zinc/35/16/64/330351664.db2.gz ZYNDUVZOXTZFPG-DYVFJYSZSA-N 0 1 299.370 3.632 20 0 CHADMN C[C@H]1C[N@@H+](CCc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000533246878 330355216 /nfs/dbraw/zinc/35/52/16/330355216.db2.gz ZPMMSRGATUMCBO-QFBILLFUSA-N 0 1 281.399 3.691 20 0 CHADMN CCN(Cc1ccno1)Cc1ccc2ccccc2c1 ZINC000533250267 330355404 /nfs/dbraw/zinc/35/54/04/330355404.db2.gz ONDFONTVIWLZAQ-UHFFFAOYSA-N 0 1 266.344 3.850 20 0 CHADMN Cc1ccc(Br)cc1CNCc1ccco1 ZINC000083688875 330358962 /nfs/dbraw/zinc/35/89/62/330358962.db2.gz LHUYBNLOLBIIMK-UHFFFAOYSA-N 0 1 280.165 3.640 20 0 CHADMN Fc1cccc(CN[C@H]2CSc3ccccc32)c1 ZINC000083748728 330359141 /nfs/dbraw/zinc/35/91/41/330359141.db2.gz HJKROAHXLRSPHM-AWEZNQCLSA-N 0 1 259.349 3.762 20 0 CHADMN C[C@@H]1CCN(Cc2cc(-c3ccco3)on2)[C@H](C)C1 ZINC000119186025 330371006 /nfs/dbraw/zinc/37/10/06/330371006.db2.gz XXEQIFCYAXMELK-VXGBXAGGSA-N 0 1 260.337 3.555 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000086807456 330371082 /nfs/dbraw/zinc/37/10/82/330371082.db2.gz MVWNLKDVRPNWJW-IUCAKERBSA-N 0 1 290.190 3.707 20 0 CHADMN Cc1csc(CN(C)[C@H](C)Cc2ccc(C)cc2)n1 ZINC000088600950 330377912 /nfs/dbraw/zinc/37/79/12/330377912.db2.gz FACQXUHQUUZLMM-CQSZACIVSA-N 0 1 274.433 3.823 20 0 CHADMN CSCc1cc(F)ccc1CNCc1ccc(C)o1 ZINC000088751866 330378694 /nfs/dbraw/zinc/37/86/94/330378694.db2.gz VCHRSIRAIBPWTG-UHFFFAOYSA-N 0 1 279.380 3.880 20 0 CHADMN CCN(Cc1cccs1)Cc1c[nH]nc1C(C)(C)C ZINC000119998312 330384418 /nfs/dbraw/zinc/38/44/18/330384418.db2.gz IOGMXTRFBRHVLS-UHFFFAOYSA-N 0 1 277.437 3.791 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1cc(Cl)cn1C ZINC000120021431 330384996 /nfs/dbraw/zinc/38/49/96/330384996.db2.gz QECKRQVDGCAZCR-LBPRGKRZSA-N 0 1 262.784 3.872 20 0 CHADMN CC[C@H](Cc1ccccc1)N(CC)Cc1nnc(C2CC2)o1 ZINC000120506353 330388934 /nfs/dbraw/zinc/38/89/34/330388934.db2.gz ATZBLZQBKLXLOH-MRXNPFEDSA-N 0 1 299.418 3.790 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2CCCc3occc32)s1 ZINC000090402470 330392367 /nfs/dbraw/zinc/39/23/67/330392367.db2.gz COEAVTLYZYMIMO-JOYOIKCWSA-N 0 1 262.378 3.773 20 0 CHADMN CC(C)Cc1noc(CN(C(C)C)C2CCCCC2)n1 ZINC000120838450 330392860 /nfs/dbraw/zinc/39/28/60/330392860.db2.gz PZZVMLPXDLKYRN-UHFFFAOYSA-N 0 1 279.428 3.811 20 0 CHADMN CN(CCc1ccccc1Cl)CCC(F)(F)F ZINC000058922443 330393311 /nfs/dbraw/zinc/39/33/11/330393311.db2.gz WFQMIWWMYQXSCK-UHFFFAOYSA-N 0 1 265.706 3.767 20 0 CHADMN Clc1sc(Cl)c2c1CCC[C@@H]2N[C@H]1CCOC1 ZINC000090774032 330395888 /nfs/dbraw/zinc/39/58/88/330395888.db2.gz KXZUFIYKMYWJOE-CBAPKCEASA-N 0 1 292.231 3.811 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1nc2cc(F)ccc2o1 ZINC000091099166 330398839 /nfs/dbraw/zinc/39/88/39/330398839.db2.gz PDXCDIIVNALLGC-NSHDSACASA-N 0 1 282.384 3.540 20 0 CHADMN C[C@H](CN[C@@H](C)c1cccc(F)c1F)C(F)(F)F ZINC000537132225 330402348 /nfs/dbraw/zinc/40/23/48/330402348.db2.gz VCPAPIBWQNOWSL-SFYZADRCSA-N 0 1 267.241 3.814 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000537546042 330440971 /nfs/dbraw/zinc/44/09/71/330440971.db2.gz MTNWAARMKKGSTD-UHFFFAOYSA-N 0 1 297.354 3.971 20 0 CHADMN Cc1nn(C)cc1CN[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000148851642 330570563 /nfs/dbraw/zinc/57/05/63/330570563.db2.gz VIIHJQNPTWYMGQ-JTQLQIEISA-N 0 1 297.324 3.598 20 0 CHADMN CC1CCN(Cc2nc3ccc(F)cc3s2)CC1 ZINC000432741692 330605187 /nfs/dbraw/zinc/60/51/87/330605187.db2.gz IYKAKSOEQYWPDK-UHFFFAOYSA-N 0 1 264.369 3.667 20 0 CHADMN Cc1cnn(CCN[C@@H](C)c2cc(Cl)ccc2Cl)c1 ZINC000152837016 330636996 /nfs/dbraw/zinc/63/69/96/330636996.db2.gz FGCSYZDWPGMRLQ-NSHDSACASA-N 0 1 298.217 3.849 20 0 CHADMN C[C@@H](N[C@@H](C)CC(F)(F)F)c1ccc(F)cc1F ZINC000153587786 330646138 /nfs/dbraw/zinc/64/61/38/330646138.db2.gz GRMRBHIKKZZXOM-JGVFFNPUSA-N 0 1 267.241 3.956 20 0 CHADMN C[C@H](NCCF)c1cccc(OCc2ccccc2)c1 ZINC000436302481 330674721 /nfs/dbraw/zinc/67/47/21/330674721.db2.gz ALRZJRBPNZKYCJ-AWEZNQCLSA-N 0 1 273.351 3.886 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H](C)c2ccccc2)c1 ZINC000436643484 330682114 /nfs/dbraw/zinc/68/21/14/330682114.db2.gz FDQNKFKVGNSMIF-GFCCVEGCSA-N 0 1 297.354 3.727 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H](C)CC(C)C)c1 ZINC000436648258 330682117 /nfs/dbraw/zinc/68/21/17/330682117.db2.gz SPDSHZASGDMNMG-LLVKDONJSA-N 0 1 277.364 3.606 20 0 CHADMN CCN(C(=O)c1c(O)cccc1F)c1cc(C)cc(C)c1 ZINC000436661725 330682422 /nfs/dbraw/zinc/68/24/22/330682422.db2.gz GKYIGLRGIUTMDZ-UHFFFAOYSA-N 0 1 287.334 3.815 20 0 CHADMN CC(C)CC1(C)CCN(C(=O)c2ccc(F)cc2O)CC1 ZINC000436923495 330688607 /nfs/dbraw/zinc/68/86/07/330688607.db2.gz TXBKKBMJAKVPED-UHFFFAOYSA-N 0 1 293.382 3.820 20 0 CHADMN CC[C@H](N[C@H](CO)c1ccsc1)c1cccc(F)c1 ZINC000437024977 330691341 /nfs/dbraw/zinc/69/13/41/330691341.db2.gz CVEOKEADHULODC-LSDHHAIUSA-N 0 1 279.380 3.662 20 0 CHADMN FCCNCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000437248300 330695975 /nfs/dbraw/zinc/69/59/75/330695975.db2.gz RGBACAOUYNDHCX-UHFFFAOYSA-N 0 1 295.361 3.598 20 0 CHADMN C[C@H](CN1CC(C)C1)c1cccc(Br)c1 ZINC000438863579 330730121 /nfs/dbraw/zinc/73/01/21/330730121.db2.gz ZTFAYOOJCHBAPO-LLVKDONJSA-N 0 1 268.198 3.504 20 0 CHADMN CCCc1noc(CN[C@H]2CCCC[C@@H]2C(C)(C)C)n1 ZINC000440049330 330745800 /nfs/dbraw/zinc/74/58/00/330745800.db2.gz FYMUOCZYIJTNPT-STQMWFEESA-N 0 1 279.428 3.717 20 0 CHADMN CC[C@H](F)CN1CCC(F)(c2cccc(OC)c2)CC1 ZINC000440513040 330749560 /nfs/dbraw/zinc/74/95/60/330749560.db2.gz VOXDXUVICXRRHJ-AWEZNQCLSA-N 0 1 283.362 3.704 20 0 CHADMN CC[C@](C)(NCCOc1ccc(F)cc1)c1nccs1 ZINC000440696631 330754417 /nfs/dbraw/zinc/75/44/17/330754417.db2.gz JPMUEJNPOFSGFB-HNNXBMFYSA-N 0 1 294.395 3.576 20 0 CHADMN Cc1cc(C)cc(Cc2noc(CN3[C@@H](C)CC[C@@H]3C)n2)c1 ZINC000443229872 330797626 /nfs/dbraw/zinc/79/76/26/330797626.db2.gz ZZAZWPFTGAZRJV-GJZGRUSLSA-N 0 1 299.418 3.650 20 0 CHADMN C=Cn1cc(CN[C@H](c2ccc(F)cc2F)C(C)C)cn1 ZINC000194365924 330842116 /nfs/dbraw/zinc/84/21/16/330842116.db2.gz UIXKANYJHBZITN-INIZCTEOSA-N 0 1 291.345 3.749 20 0 CHADMN CO[C@@H](C)CNC1(c2c(Cl)cccc2Cl)CCC1 ZINC000447389279 330865889 /nfs/dbraw/zinc/86/58/89/330865889.db2.gz ZQIXTZCTMSXDNI-JTQLQIEISA-N 0 1 288.218 3.997 20 0 CHADMN Fc1cnccc1CN1CCC(Cc2ccccc2)CC1 ZINC000449001968 330890633 /nfs/dbraw/zinc/89/06/33/330890633.db2.gz HSALFFUQZUDBTC-UHFFFAOYSA-N 0 1 284.378 3.675 20 0 CHADMN CC(C)COC[C@H](N[C@@H](C)Cc1ccoc1)c1ccco1 ZINC000449108553 330899407 /nfs/dbraw/zinc/89/94/07/330899407.db2.gz RTABUQSFVPRCJH-HOCLYGCPSA-N 0 1 291.391 3.807 20 0 CHADMN COc1cc(F)cc(CNC2(c3ccccc3)CC2)c1 ZINC000449126719 330900567 /nfs/dbraw/zinc/90/05/67/330900567.db2.gz VOBPGYISNUBOLY-UHFFFAOYSA-N 0 1 271.335 3.613 20 0 CHADMN Cc1cccc(CN[C@H](c2cccnc2)C2CC2)c1F ZINC000449212359 330906554 /nfs/dbraw/zinc/90/65/54/330906554.db2.gz UPLSHBPFULROKT-KRWDZBQOSA-N 0 1 270.351 3.770 20 0 CHADMN Cc1cnc([C@@H](C)NC[C@@H](C)c2cc(F)cc(F)c2)o1 ZINC000449224121 330907252 /nfs/dbraw/zinc/90/72/52/330907252.db2.gz HKIGUZLAJGSLID-MWLCHTKSSA-N 0 1 280.318 3.716 20 0 CHADMN C[C@@H](N[C@@H](C)CC(C)(C)C)c1nc(C(C)(C)C)no1 ZINC000449275889 330911257 /nfs/dbraw/zinc/91/12/57/330911257.db2.gz ABFJNJDVQCRYQD-WDEREUQCSA-N 0 1 267.417 3.842 20 0 CHADMN C[C@@H](CC(C)(C)C)NCc1noc(-c2ccccc2F)n1 ZINC000449292271 330912364 /nfs/dbraw/zinc/91/23/64/330912364.db2.gz PVTRMFMNPCRDLQ-NSHDSACASA-N 0 1 291.370 3.790 20 0 CHADMN CC(F)(F)CCNCc1csc(-c2ccccc2)n1 ZINC000449354514 330918171 /nfs/dbraw/zinc/91/81/71/330918171.db2.gz OJXDGMXCUMKMES-UHFFFAOYSA-N 0 1 282.359 3.945 20 0 CHADMN Cc1ccc(CNCc2cc(C3CC3)ccc2F)cn1 ZINC000449371990 330919697 /nfs/dbraw/zinc/91/96/97/330919697.db2.gz AUJIFTCEDOHEHW-UHFFFAOYSA-N 0 1 270.351 3.696 20 0 CHADMN CC(C)c1cnc(CNC[C@H]2CCCC2(F)F)s1 ZINC000449491519 330930813 /nfs/dbraw/zinc/93/08/13/330930813.db2.gz HGPFYEUSFFNJIT-SNVBAGLBSA-N 0 1 274.380 3.792 20 0 CHADMN CC1(C)COC[C@H]1NCc1ccc(F)c(Cl)c1Cl ZINC000449627096 330940881 /nfs/dbraw/zinc/94/08/81/330940881.db2.gz YIHUGZLZNGDKQZ-SNVBAGLBSA-N 0 1 292.181 3.647 20 0 CHADMN CC[C@@H](NCc1csc(-c2ccsc2)n1)[C@@H](O)CC ZINC000449640932 330941771 /nfs/dbraw/zinc/94/17/71/330941771.db2.gz TWNPUHQQKSDBQE-OLZOCXBDSA-N 0 1 296.461 3.511 20 0 CHADMN CCO[C@@H]1CCCC[C@H]1NCc1ncc(C(C)(C)C)s1 ZINC000449759986 330948318 /nfs/dbraw/zinc/94/83/18/330948318.db2.gz LCEHHLCPWUVOSB-CHWSQXEVSA-N 0 1 296.480 3.878 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@@H]1CCCCC1(F)F ZINC000449854889 330952327 /nfs/dbraw/zinc/95/23/27/330952327.db2.gz HXNKRIDMOWDUOD-QMMMGPOBSA-N 0 1 289.709 3.810 20 0 CHADMN CC[C@H](CC(C)C)C(=O)Nc1cc(C(C)=O)ccc1O ZINC000450433203 330979116 /nfs/dbraw/zinc/97/91/16/330979116.db2.gz DKEHWXHGOQKOEI-GFCCVEGCSA-N 0 1 277.364 3.606 20 0 CHADMN COc1cc(CN[C@@H](C)c2cccc(O)c2)ccc1Cl ZINC000450668379 330992193 /nfs/dbraw/zinc/99/21/93/330992193.db2.gz OJMVXVIOHSDZDX-NSHDSACASA-N 0 1 291.778 3.905 20 0 CHADMN Cc1cccc(C(C)(C)NCc2cccc(C)n2)c1 ZINC000450670095 330992329 /nfs/dbraw/zinc/99/23/29/330992329.db2.gz DOOOFBKEQCLUGU-UHFFFAOYSA-N 0 1 254.377 3.723 20 0 CHADMN Fc1cccc([C@@H](NCc2cnns2)C2CCCC2)c1 ZINC000450676987 330992904 /nfs/dbraw/zinc/99/29/04/330992904.db2.gz FGECQLLGWHNMIM-HNNXBMFYSA-N 0 1 291.395 3.698 20 0 CHADMN CCC[C@@H](NCC1=CCCCC1)c1nnc2ccccn21 ZINC000450730497 330996677 /nfs/dbraw/zinc/99/66/77/330996677.db2.gz WRIJWTRYLQJBSE-OAHLLOKOSA-N 0 1 284.407 3.661 20 0 CHADMN CCc1nc([C@H](C)NCC2=CCCCC2)cs1 ZINC000450730597 330996681 /nfs/dbraw/zinc/99/66/81/330996681.db2.gz UZHKCEVQKHSORI-NSHDSACASA-N 0 1 250.411 3.857 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@@H]1N[C@H](C)c1csnn1 ZINC000450821181 331001119 /nfs/dbraw/zinc/00/11/19/331001119.db2.gz QZTPPERUYLITTA-AGIUHOORSA-N 0 1 267.442 3.794 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)N([C@@H](C)c3csnn3)C2)cc1 ZINC000450873359 331004075 /nfs/dbraw/zinc/00/40/75/331004075.db2.gz JXWSSOVZDVMPRL-VNHYZAJKSA-N 0 1 287.432 3.786 20 0 CHADMN CCCCO[C@@H]1C[C@@H](NCc2nccn2C(C)C)C1(C)C ZINC000450968458 331009166 /nfs/dbraw/zinc/00/91/66/331009166.db2.gz KFGOPCZFEWHGCI-HUUCEWRRSA-N 0 1 293.455 3.537 20 0 CHADMN Cc1noc([C@H]2CCCN2CC/C=C\c2ccccc2)n1 ZINC000451008211 331011552 /nfs/dbraw/zinc/01/15/52/331011552.db2.gz LPAQTBXUFHDYFV-MGDKSHQASA-N 0 1 283.375 3.618 20 0 CHADMN CC(C)c1nc([C@@H]2CCCCN2CC2CC(F)(F)C2)n[nH]1 ZINC000451039344 331013105 /nfs/dbraw/zinc/01/31/05/331013105.db2.gz CTSPVIVRTLFKSZ-LBPRGKRZSA-N 0 1 298.381 3.500 20 0 CHADMN C[C@@]1(F)CCCN(CCCC(=O)c2ccc(F)cc2)C1 ZINC000451112253 331015871 /nfs/dbraw/zinc/01/58/71/331015871.db2.gz HWEDZJGQVMQNST-MRXNPFEDSA-N 0 1 281.346 3.613 20 0 CHADMN Cc1oncc1CN[C@H](C)c1cccc(C2CC2)c1 ZINC000451117009 331016242 /nfs/dbraw/zinc/01/62/42/331016242.db2.gz SCTKKAUBOCPXKR-LLVKDONJSA-N 0 1 256.349 3.711 20 0 CHADMN COCC[C@H](c1ccccc1)[N@H+]1CCC[C@](C)(F)C1 ZINC000451117323 331016292 /nfs/dbraw/zinc/01/62/92/331016292.db2.gz UVWBNXLXVNLILC-CVEARBPZSA-N 0 1 265.372 3.588 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC(CF)CC1 ZINC000451386792 331026886 /nfs/dbraw/zinc/02/68/86/331026886.db2.gz AYQWFQJYGUBYQV-JTQLQIEISA-N 0 1 257.299 3.707 20 0 CHADMN CC(C)O[C@@H]1C[C@H](NCc2cc(C(C)(C)C)on2)C1(C)C ZINC000451497558 331031534 /nfs/dbraw/zinc/03/15/34/331031534.db2.gz LGNHRHRTMYLAKZ-DZGCQCFKSA-N 0 1 294.439 3.654 20 0 CHADMN CO[C@H]1CCN(Cc2cc(F)ccc2Cl)CC1(C)C ZINC000451555665 331034195 /nfs/dbraw/zinc/03/41/95/331034195.db2.gz JQUKJHPWWVDQID-AWEZNQCLSA-N 0 1 285.790 3.726 20 0 CHADMN COc1cc(CN2CC[C@H](OC)C(C)(C)C2)ccc1Cl ZINC000451561839 331034470 /nfs/dbraw/zinc/03/44/70/331034470.db2.gz YKOLZSWZNZGLKB-HNNXBMFYSA-N 0 1 297.826 3.596 20 0 CHADMN Clc1ccc([C@@H]2CCCCN2CCn2cccn2)cc1 ZINC000451734645 331040540 /nfs/dbraw/zinc/04/05/40/331040540.db2.gz KNMRPAWYYPFJDS-INIZCTEOSA-N 0 1 289.810 3.764 20 0 CHADMN c1coc([C@H]2N(CCc3cscn3)CC23CCC3)c1 ZINC000451835730 331044214 /nfs/dbraw/zinc/04/42/14/331044214.db2.gz ABOVVIPNZTWLFJ-CQSZACIVSA-N 0 1 274.389 3.506 20 0 CHADMN CC(C)CCOCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451836878 331044248 /nfs/dbraw/zinc/04/42/48/331044248.db2.gz LONPBSGELFSJBO-INIZCTEOSA-N 0 1 277.408 3.869 20 0 CHADMN CC1(C)CC[C@H](CN2CC3(CCC3)[C@@H]2c2ccco2)O1 ZINC000451849300 331044781 /nfs/dbraw/zinc/04/47/81/331044781.db2.gz HGRRYDKLZBHADX-HIFRSBDPSA-N 0 1 275.392 3.764 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC[C@@]2(CCOC2)C1 ZINC000451910826 331046995 /nfs/dbraw/zinc/04/69/95/331046995.db2.gz ZAKLOBKEZDEPJQ-MLGOLLRUSA-N 0 1 281.346 3.528 20 0 CHADMN C[C@@H]1CC[C@H](CN2CCC[C@@H]2c2ccc(F)cc2F)O1 ZINC000451968777 331048916 /nfs/dbraw/zinc/04/89/16/331048916.db2.gz JKTHCEGZWNJCGJ-AXAPSJFSSA-N 0 1 281.346 3.669 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccc(F)cc2C)ncn1 ZINC000451992239 331049700 /nfs/dbraw/zinc/04/97/00/331049700.db2.gz NSZCZHSQTCQTLV-KRWDZBQOSA-N 0 1 285.366 3.570 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H](C)c2cnc(C)cn2)c1 ZINC000452074501 331053020 /nfs/dbraw/zinc/05/30/20/331053020.db2.gz AYPWXZUWQJUGPM-KBPBESRZSA-N 0 1 255.365 3.505 20 0 CHADMN CCCCc1noc(CN(C(C)C)C2CC(C)(C)C2)n1 ZINC000452102640 331054280 /nfs/dbraw/zinc/05/42/80/331054280.db2.gz IPKAWYUJRVWYCA-UHFFFAOYSA-N 0 1 279.428 3.811 20 0 CHADMN C[C@H](N[C@H]1CC(C)(C)C[C@H]1C)c1nc(C(C)(C)C)no1 ZINC000194859115 331066219 /nfs/dbraw/zinc/06/62/19/331066219.db2.gz VNMBGJQEFVQFLD-WOPDTQHZSA-N 0 1 279.428 3.842 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H](c1cccs1)C1CC1 ZINC000453065042 331085837 /nfs/dbraw/zinc/08/58/37/331085837.db2.gz HNEJLWOVCCZVHD-SMDDNHRTSA-N 0 1 275.421 3.766 20 0 CHADMN Cn1ccnc1[C@@H](NCC1CCC1)c1ccc(Cl)cc1 ZINC000453075855 331086828 /nfs/dbraw/zinc/08/68/28/331086828.db2.gz LNRYWPZQARKSJO-HNNXBMFYSA-N 0 1 289.810 3.553 20 0 CHADMN CC[C@@H](N[C@H](C)c1nccn1CC)c1cccs1 ZINC000453079053 331087177 /nfs/dbraw/zinc/08/71/77/331087177.db2.gz OEYKCUVEPMFUNU-VXGBXAGGSA-N 0 1 263.410 3.766 20 0 CHADMN Cc1cccc(C)c1OCCCN[C@@H]1C[C@H](C)n2ccnc21 ZINC000453082976 331087535 /nfs/dbraw/zinc/08/75/35/331087535.db2.gz JDJPLBZUWNWPQQ-JKSUJKDBSA-N 0 1 299.418 3.564 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)C1CCC1)c1ccncn1 ZINC000453104171 331089465 /nfs/dbraw/zinc/08/94/65/331089465.db2.gz DULCUXUHUSUBPT-SUMWQHHRSA-N 0 1 267.376 3.669 20 0 CHADMN Cc1ccccc1[C@@H](N[C@H](C)c1ccncn1)C1CC1 ZINC000453120658 331091281 /nfs/dbraw/zinc/09/12/81/331091281.db2.gz MWPRWPUXKGIMPV-DYVFJYSZSA-N 0 1 267.376 3.587 20 0 CHADMN CCCCO[C@@H]1C[C@H](N[C@@H](C)c2nccn2CC)C1(C)C ZINC000453129632 331092259 /nfs/dbraw/zinc/09/22/59/331092259.db2.gz KFFPTBOGPJBNEY-SOUVJXGZSA-N 0 1 293.455 3.537 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1cn[nH]c1)c1ccc(F)cc1F ZINC000453136822 331092983 /nfs/dbraw/zinc/09/29/83/331092983.db2.gz KSLQMLRZISBWEM-BMIGLBTASA-N 0 1 279.334 3.736 20 0 CHADMN CC[C@@H](NC1(c2ccccc2F)CC1)c1ccncc1 ZINC000453167749 331096367 /nfs/dbraw/zinc/09/63/67/331096367.db2.gz QATWEKISTOTLAJ-MRXNPFEDSA-N 0 1 270.351 3.951 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](N[C@@H](C)c1ccncn1)CC2 ZINC000453193501 331099799 /nfs/dbraw/zinc/09/97/99/331099799.db2.gz FHOJBZXGMVZLDD-UGSOOPFHSA-N 0 1 281.403 3.938 20 0 CHADMN CC[C@H](N[C@H](c1nccn1C)C1CC1)c1ccsc1 ZINC000453208649 331101665 /nfs/dbraw/zinc/10/16/65/331101665.db2.gz JLCCXQCJQQOYSG-KBPBESRZSA-N 0 1 275.421 3.674 20 0 CHADMN CC[C@H](N[C@H](C)c1ccncc1OC)c1ccsc1 ZINC000453213859 331102108 /nfs/dbraw/zinc/10/21/08/331102108.db2.gz HCCWVNYXZXARLT-RISCZKNCSA-N 0 1 276.405 3.954 20 0 CHADMN CC[C@H](N[C@H]1c2ccc(F)cc2O[C@H]1C)c1ccncc1 ZINC000453215385 331102357 /nfs/dbraw/zinc/10/23/57/331102357.db2.gz FQABMTDHQYKZMO-XNJJOIOASA-N 0 1 286.350 3.784 20 0 CHADMN C[C@H](N[C@H]1CCC[C@H]1F)c1cc(-c2ccccc2)nn1C ZINC000453231588 331104554 /nfs/dbraw/zinc/10/45/54/331104554.db2.gz SWDXJIUCAWMPIN-CFVMTHIKSA-N 0 1 287.382 3.628 20 0 CHADMN Cn1ccnc1[C@H](N[C@@H]1CCCc2c(F)cccc21)C1CC1 ZINC000453238473 331105493 /nfs/dbraw/zinc/10/54/93/331105493.db2.gz QGWRWMKIJSRLKL-IAGOWNOFSA-N 0 1 299.393 3.678 20 0 CHADMN Cn1ccnc1[C@@H](N[C@@H]1CCCc2c(F)cccc21)C1CC1 ZINC000453238475 331105495 /nfs/dbraw/zinc/10/54/95/331105495.db2.gz QGWRWMKIJSRLKL-SJORKVTESA-N 0 1 299.393 3.678 20 0 CHADMN CCC[C@@H](CN[C@H](C)c1csc(C(C)C)n1)OC ZINC000453252373 331107799 /nfs/dbraw/zinc/10/77/99/331107799.db2.gz OLRDOFIBIPRUIM-NEPJUHHUSA-N 0 1 270.442 3.732 20 0 CHADMN CC[C@H](C)[C@H](CN[C@H](C)c1nc2c(s1)CCCC2)OC ZINC000453266192 331109099 /nfs/dbraw/zinc/10/90/99/331109099.db2.gz KXNDRWVWGGMMQP-SCRDCRAPSA-N 0 1 296.480 3.734 20 0 CHADMN CC[C@H](NCc1ccnc(C(F)(F)F)c1)c1ccncc1 ZINC000453288653 331111460 /nfs/dbraw/zinc/11/14/60/331111460.db2.gz PWESADAGNMZTOU-ZDUSSCGKSA-N 0 1 295.308 3.736 20 0 CHADMN COC[C@H](NCc1ccnc(C)c1)c1cccc(Cl)c1 ZINC000453289041 331111678 /nfs/dbraw/zinc/11/16/78/331111678.db2.gz MADSLWISGHCGFL-INIZCTEOSA-N 0 1 290.794 3.521 20 0 CHADMN CCn1ccnc1CN[C@H]1CC[C@H](C)c2ccsc21 ZINC000453304415 331113741 /nfs/dbraw/zinc/11/37/41/331113741.db2.gz BDEHPAVKJUAFAR-AAEUAGOBSA-N 0 1 275.421 3.693 20 0 CHADMN CC/C=C\CN[C@H](C)c1nc2c(s1)CCCC2 ZINC000453311882 331114844 /nfs/dbraw/zinc/11/48/44/331114844.db2.gz GVMKPLZWPVFYGJ-MEQVVJDKSA-N 0 1 250.411 3.639 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2cnn(C3CCCC3)c2)cn1 ZINC000453337099 331118590 /nfs/dbraw/zinc/11/85/90/331118590.db2.gz AAUSVVBDPBXQAC-OAHLLOKOSA-N 0 1 298.434 3.861 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1cnc(C)cc1C ZINC000453345722 331119858 /nfs/dbraw/zinc/11/98/58/331119858.db2.gz FMWGOEPHSAKSFK-GFCCVEGCSA-N 0 1 276.405 3.619 20 0 CHADMN CCc1ncc(CN[C@@H](c2ccc(OC)cc2)C(C)C)o1 ZINC000453353804 331121122 /nfs/dbraw/zinc/12/11/22/331121122.db2.gz CUENMOSJVKBYQI-QGZVFWFLSA-N 0 1 288.391 3.733 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnc(C)cc2C)oc1C ZINC000453363389 331122902 /nfs/dbraw/zinc/12/29/02/331122902.db2.gz OERNLQVZDDSNQI-CYBMUJFWSA-N 0 1 258.365 3.759 20 0 CHADMN Cc1c([C@@H](C)NCc2cnc(C)cc2C)cnn1C(C)C ZINC000453366289 331123365 /nfs/dbraw/zinc/12/33/65/331123365.db2.gz PMPDLHPIJJHHIR-CQSZACIVSA-N 0 1 286.423 3.635 20 0 CHADMN CCc1ccc([C@H](C)NCc2cnc(CC)o2)s1 ZINC000453367337 331123384 /nfs/dbraw/zinc/12/33/84/331123384.db2.gz MEKXUVDHILKTBE-JTQLQIEISA-N 0 1 264.394 3.712 20 0 CHADMN CCc1ncc(CN[C@H](C)c2ccc(CC)cc2)o1 ZINC000453369085 331123837 /nfs/dbraw/zinc/12/38/37/331123837.db2.gz NAOAPIMDOMQWEO-GFCCVEGCSA-N 0 1 258.365 3.650 20 0 CHADMN COc1cc([C@H](C)N[C@H](C)c2cccc(C)c2)c(F)cn1 ZINC000453380558 331125702 /nfs/dbraw/zinc/12/57/02/331125702.db2.gz AWEDHIFAFNGJCH-OLZOCXBDSA-N 0 1 288.366 3.950 20 0 CHADMN CCc1ncc(CN[C@H](c2ccc(F)cc2)C2CC2)o1 ZINC000453382240 331125873 /nfs/dbraw/zinc/12/58/73/331125873.db2.gz LVJLJBBLZDFBJU-INIZCTEOSA-N 0 1 274.339 3.617 20 0 CHADMN CCc1ncc(CN[C@@H](c2ccc(F)c(C)c2)C2CC2)o1 ZINC000453387338 331126639 /nfs/dbraw/zinc/12/66/39/331126639.db2.gz OTBNFQVIQSYMJL-QGZVFWFLSA-N 0 1 288.366 3.925 20 0 CHADMN CCCc1ncc(CN[C@@H](CC)c2ccccc2)o1 ZINC000453399286 331128359 /nfs/dbraw/zinc/12/83/59/331128359.db2.gz XJWJORMCSUXXFZ-HNNXBMFYSA-N 0 1 258.365 3.868 20 0 CHADMN OCC1([C@H](NCc2ccco2)c2ccccc2)CCCC1 ZINC000453596441 331135474 /nfs/dbraw/zinc/13/54/74/331135474.db2.gz ARXUZQUDADGZOD-QGZVFWFLSA-N 0 1 285.387 3.663 20 0 CHADMN CCc1nc(CN[C@@H]2C[C@]2(CC)C(C)C)cs1 ZINC000453603869 331135978 /nfs/dbraw/zinc/13/59/78/331135978.db2.gz BCDADKRISJRKHB-TZMCWYRMSA-N 0 1 252.427 3.620 20 0 CHADMN CCc1cnc(CN[C@@H]2C[C@]2(CC)C(C)C)s1 ZINC000453613803 331136460 /nfs/dbraw/zinc/13/64/60/331136460.db2.gz OVNGYUKGHHMOSD-TZMCWYRMSA-N 0 1 252.427 3.620 20 0 CHADMN CC[C@]1(C(C)C)C[C@H]1NCc1csc(C2CC2)n1 ZINC000453621788 331136947 /nfs/dbraw/zinc/13/69/47/331136947.db2.gz YHNKGUQPLYQMOA-UKRRQHHQSA-N 0 1 264.438 3.935 20 0 CHADMN CC[C@@]1(C(C)C)C[C@H]1NCc1csc(C2CC2)n1 ZINC000453621785 331137007 /nfs/dbraw/zinc/13/70/07/331137007.db2.gz YHNKGUQPLYQMOA-HIFRSBDPSA-N 0 1 264.438 3.935 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)[nH]1 ZINC000456352090 331190649 /nfs/dbraw/zinc/19/06/49/331190649.db2.gz UQHJPYAYWWMMPJ-PBHICJAKSA-N 0 1 299.418 3.624 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C(C)C)C2CC(C)(C)C2)[nH]1 ZINC000457069442 331211371 /nfs/dbraw/zinc/21/13/71/331211371.db2.gz HBOCEWQSEYWNNQ-UHFFFAOYSA-N 0 1 299.418 3.911 20 0 CHADMN Cc1ccc2nc(CNC(=O)CCCCC(C)C)[nH]c2c1 ZINC000457591520 331228214 /nfs/dbraw/zinc/22/82/14/331228214.db2.gz CCWUSOHXHLJGMK-UHFFFAOYSA-N 0 1 287.407 3.704 20 0 CHADMN CC(C)CCCCC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000457606850 331228750 /nfs/dbraw/zinc/22/87/50/331228750.db2.gz ILAKCQHOHIDJMN-UHFFFAOYSA-N 0 1 291.370 3.535 20 0 CHADMN CC1(C)CCC[C@@H](CC(=O)NCc2ccc3cncn3c2)C1 ZINC000457973283 331238406 /nfs/dbraw/zinc/23/84/06/331238406.db2.gz HYKSNLCBLMNHEP-AWEZNQCLSA-N 0 1 299.418 3.557 20 0 CHADMN CC[C@@H](CC1CCCC1)C(=O)NCc1ccc2cncn2c1 ZINC000457977003 331238461 /nfs/dbraw/zinc/23/84/61/331238461.db2.gz QBKGONPLLDEZEY-INIZCTEOSA-N 0 1 299.418 3.557 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1cnc(C2CC2)nc1 ZINC000459308676 331275577 /nfs/dbraw/zinc/27/55/77/331275577.db2.gz OUWHLMZDIGDTNS-CYBMUJFWSA-N 0 1 267.376 3.547 20 0 CHADMN Cc1ncc(CN(C)Cc2ccc(C3CC3)cc2)s1 ZINC000459320587 331276115 /nfs/dbraw/zinc/27/61/15/331276115.db2.gz FFSFUEVAUOEPAL-UHFFFAOYSA-N 0 1 272.417 3.961 20 0 CHADMN Cc1cc(F)c(CN2CCC3(C2)CCOCC3)c(Cl)c1 ZINC000459343398 331277129 /nfs/dbraw/zinc/27/71/29/331277129.db2.gz HHMLTMZFCKUAMW-UHFFFAOYSA-N 0 1 297.801 3.790 20 0 CHADMN C[C@H](N(C)Cc1cccc(O)c1Br)C1(C)CC1 ZINC000459343293 331277208 /nfs/dbraw/zinc/27/72/08/331277208.db2.gz HATBNMGBNVUDSG-JTQLQIEISA-N 0 1 298.224 3.775 20 0 CHADMN CCOC[C@H]1CCN(Cc2c(F)cc(C)cc2Cl)C1 ZINC000459351831 331277535 /nfs/dbraw/zinc/27/75/35/331277535.db2.gz ZRPAZIIGNYRDDM-LBPRGKRZSA-N 0 1 285.790 3.646 20 0 CHADMN CCOc1cc(CN2CC[C@@H]2C(C)C)cc(Cl)c1O ZINC000459353379 331277732 /nfs/dbraw/zinc/27/77/32/331277732.db2.gz FRZUFALCXZINHI-CYBMUJFWSA-N 0 1 283.799 3.675 20 0 CHADMN CC(C)[N@H+](Cc1cc(=O)[n-]c(C2CC2)n1)C1CCCCC1 ZINC000459377803 331279165 /nfs/dbraw/zinc/27/91/65/331279165.db2.gz XUJAMKVPUYYTLL-UHFFFAOYSA-N 0 1 289.423 3.603 20 0 CHADMN CC(C)[N@@H+](Cc1cc(=O)[n-]c(C2CC2)n1)C1CCCCC1 ZINC000459377803 331279166 /nfs/dbraw/zinc/27/91/66/331279166.db2.gz XUJAMKVPUYYTLL-UHFFFAOYSA-N 0 1 289.423 3.603 20 0 CHADMN CC[C@](C)(NCCOCC1CCCC1)c1nc(C)cs1 ZINC000459384444 331279454 /nfs/dbraw/zinc/27/94/54/331279454.db2.gz HFGRFYWGICGSKU-INIZCTEOSA-N 0 1 296.480 3.873 20 0 CHADMN CC(C)c1nnc(CNCCc2ccc(Cl)cc2)s1 ZINC000459433473 331281092 /nfs/dbraw/zinc/28/10/92/331281092.db2.gz GPBQHOWFRNSTIZ-UHFFFAOYSA-N 0 1 295.839 3.647 20 0 CHADMN CC[C@@H](CNCc1cc(C)on1)Oc1cccc(Cl)c1 ZINC000459440840 331281425 /nfs/dbraw/zinc/28/14/25/331281425.db2.gz OJVXYJLQDVHMNG-AWEZNQCLSA-N 0 1 294.782 3.584 20 0 CHADMN C[C@@H](c1ccc2c(c1)CCC2)N1CCc2ncsc2C1 ZINC000459441657 331281483 /nfs/dbraw/zinc/28/14/83/331281483.db2.gz IBRCJMDKADNZBM-LBPRGKRZSA-N 0 1 284.428 3.751 20 0 CHADMN Cc1cc([C@H](C)NCc2cnc(C3CC3)nc2)ccc1F ZINC000459451933 331282051 /nfs/dbraw/zinc/28/20/51/331282051.db2.gz ZSZSUVNSUFXXIS-LBPRGKRZSA-N 0 1 285.366 3.652 20 0 CHADMN Cc1cc(CNCC2(c3ccc(F)cc3Cl)CC2)no1 ZINC000459467964 331283130 /nfs/dbraw/zinc/28/31/30/331283130.db2.gz ZVBIOHHTGBUHBB-UHFFFAOYSA-N 0 1 294.757 3.597 20 0 CHADMN COCc1cc(CNC2CCC3(CCCCC3)CC2)no1 ZINC000459495964 331284926 /nfs/dbraw/zinc/28/49/26/331284926.db2.gz NHINVKVMSNXQEC-UHFFFAOYSA-N 0 1 292.423 3.804 20 0 CHADMN Cc1cc(CN[C@@H](C)CSc2ccc(C)cc2)no1 ZINC000459522324 331285915 /nfs/dbraw/zinc/28/59/15/331285915.db2.gz HRLGFAXCTDRRAT-LBPRGKRZSA-N 0 1 276.405 3.562 20 0 CHADMN Cc1cc(CN[C@@H]2CC[C@@H](c3ccccc3F)C2)no1 ZINC000459524333 331285959 /nfs/dbraw/zinc/28/59/59/331285959.db2.gz ZNHORLVLCRKHIH-CHWSQXEVSA-N 0 1 274.339 3.548 20 0 CHADMN Cc1cc(F)c(CN2CC[C@@]3(C2)CCCOC3)c(Cl)c1 ZINC000459529865 331286192 /nfs/dbraw/zinc/28/61/92/331286192.db2.gz SVHCACZTBUVRQG-MRXNPFEDSA-N 0 1 297.801 3.790 20 0 CHADMN Cc1cc(CNC[C@@H](C)Oc2ccc(C(C)C)cc2)no1 ZINC000459554393 331287513 /nfs/dbraw/zinc/28/75/13/331287513.db2.gz CNANYYQXGKYHQC-CQSZACIVSA-N 0 1 288.391 3.664 20 0 CHADMN Clc1ccc(CCNCc2noc3c2CCCC3)cc1 ZINC000459567210 331288347 /nfs/dbraw/zinc/28/83/47/331288347.db2.gz JSSUOEJKYOKUNO-UHFFFAOYSA-N 0 1 290.794 3.539 20 0 CHADMN C[C@@H]1CCCC[C@]1(C)NCc1nc(C2CCCC2)no1 ZINC000459605973 331290347 /nfs/dbraw/zinc/29/03/47/331290347.db2.gz DSYSKZBMJLYMBF-WBMJQRKESA-N 0 1 277.412 3.786 20 0 CHADMN Fc1cccc(Cl)c1CCCN1CC2(C1)CCCOC2 ZINC000459604917 331290370 /nfs/dbraw/zinc/29/03/70/331290370.db2.gz KWOHOQGZAYPZRU-UHFFFAOYSA-N 0 1 297.801 3.524 20 0 CHADMN CSc1ccc(CNCc2ccc(C)c(C)n2)s1 ZINC000459668178 331293188 /nfs/dbraw/zinc/29/31/88/331293188.db2.gz MQTHFMCHVRWPMZ-UHFFFAOYSA-N 0 1 278.446 3.772 20 0 CHADMN C/C(=C\c1ccc(Cl)cc1)CNCc1cnc(C)o1 ZINC000459668989 331293277 /nfs/dbraw/zinc/29/32/77/331293277.db2.gz CMLXRUHSXAVMKY-YRNVUSSQSA-N 0 1 276.767 3.830 20 0 CHADMN C/C(=C/c1ccc(Cl)cc1)CNCc1cnc(C)o1 ZINC000459668988 331293310 /nfs/dbraw/zinc/29/33/10/331293310.db2.gz CMLXRUHSXAVMKY-XFFZJAGNSA-N 0 1 276.767 3.830 20 0 CHADMN Cc1occc1-c1noc(-c2ccc(O)c(Cl)c2)n1 ZINC000165728115 331306424 /nfs/dbraw/zinc/30/64/24/331306424.db2.gz JDQBEWAKKAIDLC-UHFFFAOYSA-N 0 1 276.679 3.664 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H](C)[C@H](C)CC)c1 ZINC000462921978 331335130 /nfs/dbraw/zinc/33/51/30/331335130.db2.gz LMMDJKMNTCICJT-GHMZBOCLSA-N 0 1 277.364 3.606 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)CC(CC)CC)c1 ZINC000462918874 331335161 /nfs/dbraw/zinc/33/51/61/331335161.db2.gz KSORLYKXGWKNIE-UHFFFAOYSA-N 0 1 277.364 3.750 20 0 CHADMN CC(C)[C@H]1CN(Cc2ccccc2Cl)CCS1 ZINC000464771483 331367129 /nfs/dbraw/zinc/36/71/29/331367129.db2.gz KPWKQFHCJFOGBN-CQSZACIVSA-N 0 1 269.841 3.913 20 0 CHADMN CC(C)n1ccc(C[C@@H](C)Nc2cc3c(cn2)CCCC3)n1 ZINC000462959162 331335986 /nfs/dbraw/zinc/33/59/86/331335986.db2.gz YLBHQWXSLAQFQH-CQSZACIVSA-N 0 1 298.434 3.781 20 0 CHADMN CC(C)O[C@@H]1C[C@@H](NCc2c(F)cccc2F)C1(C)C ZINC000463025828 331337411 /nfs/dbraw/zinc/33/74/11/331337411.db2.gz SOIANRJQMLGXHL-HUUCEWRRSA-N 0 1 283.362 3.647 20 0 CHADMN Cc1ccc(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)nc1 ZINC000463029246 331337599 /nfs/dbraw/zinc/33/75/99/331337599.db2.gz DBNUVSRWYCJTAH-KGLIPLIRSA-N 0 1 286.341 3.943 20 0 CHADMN CC(C)[C@@H]1CCN(Cc2cncc(C(F)(F)F)c2)C1 ZINC000463101853 331340203 /nfs/dbraw/zinc/34/02/03/331340203.db2.gz LZWPUAUGBCGWQU-GFCCVEGCSA-N 0 1 272.314 3.578 20 0 CHADMN C[C@@H](c1nc(CC2CC(C)(C)C2)no1)N1[C@H](C)CC[C@@H]1C ZINC000463172588 331341400 /nfs/dbraw/zinc/34/14/00/331341400.db2.gz MYFAMPCHNLUVLH-XQQFMLRXSA-N 0 1 291.439 3.982 20 0 CHADMN C[C@@H](c1nc(CC2CC(C)(C)C2)no1)N1CCCCCC1 ZINC000463174155 331341538 /nfs/dbraw/zinc/34/15/38/331341538.db2.gz RNTAQWSLRVDOHT-ZDUSSCGKSA-N 0 1 291.439 3.985 20 0 CHADMN Cc1cc(N[C@@H](C)CC(F)(F)F)c2cc(F)ccc2n1 ZINC000463747415 331351579 /nfs/dbraw/zinc/35/15/79/331351579.db2.gz BRGFWOAHOYWYDN-VIFPVBQESA-N 0 1 286.272 3.857 20 0 CHADMN CC[C@]1(C)CCCN(Cc2cn3cc(Cl)ccc3n2)C1 ZINC000464770231 331366948 /nfs/dbraw/zinc/36/69/48/331366948.db2.gz DIMUBDBXVBTSFK-MRXNPFEDSA-N 0 1 291.826 4.000 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2cn3cc(Cl)ccc3n2)C1 ZINC000464770230 331366977 /nfs/dbraw/zinc/36/69/77/331366977.db2.gz DIMUBDBXVBTSFK-INIZCTEOSA-N 0 1 291.826 4.000 20 0 CHADMN Cc1ccc2nc(CNC(=O)C[C@@H]3CCC[C@@H](C)C3)[nH]c2c1 ZINC000465201646 331380401 /nfs/dbraw/zinc/38/04/01/331380401.db2.gz YNEMXJZKGDLQNJ-TZMCWYRMSA-N 0 1 299.418 3.704 20 0 CHADMN CO[C@]1(C)C[C@@H](N[C@H](C)c2c(F)cccc2F)C1(C)C ZINC000465414341 331382799 /nfs/dbraw/zinc/38/27/99/331382799.db2.gz SRSLGPQQQFDVFO-CKUKBARFSA-N 0 1 283.362 3.819 20 0 CHADMN CC/C=C/CCN1[C@H](C)COC[C@H]1c1ccccc1 ZINC000466237246 331391432 /nfs/dbraw/zinc/39/14/32/331391432.db2.gz QDQDTEAWJKPCHB-LUJIMGINSA-N 0 1 259.393 3.805 20 0 CHADMN Cc1cc(C)cc(CN[C@@H]2COc3ccc(F)cc32)c1 ZINC000466446665 331397320 /nfs/dbraw/zinc/39/73/20/331397320.db2.gz REYQEHBWJRCVIA-MRXNPFEDSA-N 0 1 271.335 3.666 20 0 CHADMN CC[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C(C)=O)ccc1O ZINC000476587379 331666725 /nfs/dbraw/zinc/66/67/25/331666725.db2.gz IFZAQRFQPPSKAZ-JSGCOSHPSA-N 0 1 289.375 3.750 20 0 CHADMN CCCN1CCN(C(=O)[C@@H](CC)CC2CCCCC2)CC1 ZINC000511134408 332928112 /nfs/dbraw/zinc/92/81/12/332928112.db2.gz JIPJLTLPVLLDKW-KRWDZBQOSA-N 0 1 294.483 3.537 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CC[C@@H](C2CC2)C1 ZINC000480087962 331757639 /nfs/dbraw/zinc/75/76/39/331757639.db2.gz QKABYKSTYUHMKV-GFCCVEGCSA-N 0 1 286.350 3.619 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)no1 ZINC000481183575 331800255 /nfs/dbraw/zinc/80/02/55/331800255.db2.gz DCMAPOCPMHFTRX-IVMMDQJWSA-N 0 1 299.418 3.959 20 0 CHADMN Cc1noc([C@@H](C)N[C@@H](C)CC(C)(C)c2ccccc2)n1 ZINC000483340563 331870244 /nfs/dbraw/zinc/87/02/44/331870244.db2.gz KXMPDDRMHOSMTA-QWHCGFSZSA-N 0 1 287.407 3.785 20 0 CHADMN Fc1ccc2c(c1)nccc2N[C@H]1CCOC2(CCC2)C1 ZINC000486914807 331949370 /nfs/dbraw/zinc/94/93/70/331949370.db2.gz PFAOYDQMHWJUGB-ZDUSSCGKSA-N 0 1 286.350 3.888 20 0 CHADMN C[C@@H]1C[C@H]1CN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000488335574 332000562 /nfs/dbraw/zinc/00/05/62/332000562.db2.gz SHWZFWBUTJRQRK-OSAQELSMSA-N 0 1 299.336 3.735 20 0 CHADMN Fc1ccc2cc(CN3CCC(C(F)F)CC3)[nH]c2c1 ZINC000488339545 332000669 /nfs/dbraw/zinc/00/06/69/332000669.db2.gz NWLSJDVAUDDYBX-UHFFFAOYSA-N 0 1 282.309 3.784 20 0 CHADMN CCN(CCc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000488526183 332015779 /nfs/dbraw/zinc/01/57/79/332015779.db2.gz FJEJRXKEYHMIMB-INIZCTEOSA-N 0 1 296.414 3.578 20 0 CHADMN CCCNC(=O)[C@H](C)N(CC)Cc1ccc2ccccc2c1 ZINC000488764117 332024932 /nfs/dbraw/zinc/02/49/32/332024932.db2.gz UEJKCJZMMQSDIF-HNNXBMFYSA-N 0 1 298.430 3.576 20 0 CHADMN O=C(Nc1nc2ccc(F)cc2[nH]1)C1CCCCCC1 ZINC000488889075 332032324 /nfs/dbraw/zinc/03/23/24/332032324.db2.gz JLCTYRBHRHQXBS-UHFFFAOYSA-N 0 1 275.327 3.611 20 0 CHADMN CCC[C@H](C(=O)Nc1nc2ccc(F)cc2[nH]1)C(C)C ZINC000488941153 332034528 /nfs/dbraw/zinc/03/45/28/332034528.db2.gz AASZQOMAITVSQQ-NSHDSACASA-N 0 1 277.343 3.713 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(F)c(F)c2)cc1C ZINC000489073191 332040319 /nfs/dbraw/zinc/04/03/19/332040319.db2.gz PLKZVZCZVIBIBB-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H](C)CC(C)(C)C)n[nH]1 ZINC000489217887 332043695 /nfs/dbraw/zinc/04/36/95/332043695.db2.gz MUKHKCKYPJKXKV-SRVKXCTJSA-N 0 1 294.443 3.568 20 0 CHADMN CCN(CCCO)[C@H](C)c1cc(Cl)ccc1Cl ZINC000489249673 332044351 /nfs/dbraw/zinc/04/43/51/332044351.db2.gz AGCOQXYHYAYUFA-SNVBAGLBSA-N 0 1 276.207 3.759 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCCC2(CCOCC2)C1 ZINC000489519912 332058223 /nfs/dbraw/zinc/05/82/23/332058223.db2.gz VRTIQKQBAXZPBX-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN Cc1ccc2ccccc2c1CSc1cn[nH]n1 ZINC000489664322 332063765 /nfs/dbraw/zinc/06/37/65/332063765.db2.gz XNDQMMBLYVRTBF-UHFFFAOYSA-N 0 1 255.346 3.559 20 0 CHADMN CC[C@H](NCc1ccc(C)c(OC)c1)c1ccc(F)cn1 ZINC000490129633 332082350 /nfs/dbraw/zinc/08/23/50/332082350.db2.gz GHIUDSCIFBQOMH-HNNXBMFYSA-N 0 1 288.366 3.779 20 0 CHADMN CCC[N@@H+](CC)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000491074282 332147181 /nfs/dbraw/zinc/14/71/81/332147181.db2.gz IMLPLDJYPJVTNJ-UHFFFAOYSA-N 0 1 280.318 3.852 20 0 CHADMN CCCN(CC)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000491074282 332147182 /nfs/dbraw/zinc/14/71/82/332147182.db2.gz IMLPLDJYPJVTNJ-UHFFFAOYSA-N 0 1 280.318 3.852 20 0 CHADMN C[C@@H](c1ccccc1F)[N@@H+](C)C[C@H]1CCO[C@H](C)C1 ZINC000491169770 332160689 /nfs/dbraw/zinc/16/06/89/332160689.db2.gz XKKPSIMNVSHLII-RDBSUJKOSA-N 0 1 265.372 3.634 20 0 CHADMN C[C@@H](c1ccccc1F)[N@@H+](C)C[C@@H]1CCO[C@H](C)C1 ZINC000491169767 332160768 /nfs/dbraw/zinc/16/07/68/332160768.db2.gz XKKPSIMNVSHLII-HZSPNIEDSA-N 0 1 265.372 3.634 20 0 CHADMN CC=CC=CC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000491291386 332182670 /nfs/dbraw/zinc/18/26/70/332182670.db2.gz PCHDWUQXFBXZIL-YXRVFUNISA-N 0 1 295.386 3.667 20 0 CHADMN Cc1ccsc1C(=O)Nc1cccc(Cl)c1O ZINC000172112434 335095286 /nfs/dbraw/zinc/09/52/86/335095286.db2.gz XKFIHNFGJVZJPQ-UHFFFAOYSA-N 0 1 267.737 3.668 20 0 CHADMN CCn1cc(CN(C)Cc2ccc(C(C)C)cc2)cn1 ZINC000172161681 335096367 /nfs/dbraw/zinc/09/63/67/335096367.db2.gz VJICXCPLTGONQS-UHFFFAOYSA-N 0 1 271.408 3.658 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cccc(F)c1F ZINC000172355381 335102572 /nfs/dbraw/zinc/10/25/72/335102572.db2.gz UGONTNABBIUYLC-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN C[C@H]1CCCC[N@H+]1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000492219473 332387773 /nfs/dbraw/zinc/38/77/73/332387773.db2.gz GPJWKZBIJBTLJB-NSHDSACASA-N 0 1 292.329 3.994 20 0 CHADMN C[C@H]1CCCCN1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000492219473 332387775 /nfs/dbraw/zinc/38/77/75/332387775.db2.gz GPJWKZBIJBTLJB-NSHDSACASA-N 0 1 292.329 3.994 20 0 CHADMN CCCc1nc(C)c(CNCc2c(C)cccc2C)o1 ZINC000492269523 332389941 /nfs/dbraw/zinc/38/99/41/332389941.db2.gz BSAPPPUXLGGMSP-UHFFFAOYSA-N 0 1 272.392 3.842 20 0 CHADMN CC(C)(NCc1cccc(F)c1)c1ccccc1F ZINC000492418145 332396565 /nfs/dbraw/zinc/39/65/65/332396565.db2.gz RDYHYBKURMSJAH-UHFFFAOYSA-N 0 1 261.315 3.990 20 0 CHADMN Cc1ccn2c(CNC(C)(C)c3ccccc3F)cnc2c1 ZINC000492443251 332397676 /nfs/dbraw/zinc/39/76/76/332397676.db2.gz RJNJRBAAGBYGPC-UHFFFAOYSA-N 0 1 297.377 3.807 20 0 CHADMN CCC(CC)(CNCc1ncc(C(C)(C)C)s1)OC ZINC000492484957 332399687 /nfs/dbraw/zinc/39/96/87/332399687.db2.gz NOLAQDDLIUWVMA-UHFFFAOYSA-N 0 1 284.469 3.735 20 0 CHADMN c1nc(C2CCCC2)sc1CN1CCCCC1 ZINC000092107005 334396117 /nfs/dbraw/zinc/39/61/17/334396117.db2.gz XKZAMGSGRPHTRL-UHFFFAOYSA-N 0 1 250.411 3.787 20 0 CHADMN Cc1nccc(NC2CCC3(CCOCC3)CC2)c1Cl ZINC000499163108 332581353 /nfs/dbraw/zinc/58/13/53/332581353.db2.gz FEJVNVMGRIQKHU-UHFFFAOYSA-N 0 1 294.826 3.617 20 0 CHADMN CC[C@H]1C[C@@]1(NCc1cnn(CC)c1)c1cccc(C)c1 ZINC000500504665 332611641 /nfs/dbraw/zinc/61/16/41/332611641.db2.gz UGUKUSIMGZBGHI-WMZOPIPTSA-N 0 1 283.419 3.626 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2c(C)cccc2C)nn1C ZINC000502430178 332658840 /nfs/dbraw/zinc/65/88/40/332658840.db2.gz JZNSKLYYBWBQIZ-GJZGRUSLSA-N 0 1 271.408 3.757 20 0 CHADMN CCOC[C@@H](NCc1ncc(Cl)cc1Cl)C(C)C ZINC000503469597 332690401 /nfs/dbraw/zinc/69/04/01/332690401.db2.gz ZFPUIBSAXUDRBW-CYBMUJFWSA-N 0 1 291.222 3.539 20 0 CHADMN C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H]([C@H](C)O)C1 ZINC000305875687 333001609 /nfs/dbraw/zinc/00/16/09/333001609.db2.gz QJTLPJDRJSLZKU-SCVCMEIPSA-N 0 1 288.218 3.757 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1ccncc1Cl ZINC000174882729 333009924 /nfs/dbraw/zinc/00/99/24/333009924.db2.gz NEXWLJSPFFSADV-NSHDSACASA-N 0 1 272.845 3.699 20 0 CHADMN [O-]c1cccc(C[N@H+](CC2CC2)C2CCC2)c1Cl ZINC000513402048 333017656 /nfs/dbraw/zinc/01/76/56/333017656.db2.gz RWHBQEJNQIVXSQ-UHFFFAOYSA-N 0 1 265.784 3.810 20 0 CHADMN [O-]c1cccc(C[N@@H+](CC2CC2)C2CCC2)c1Cl ZINC000513402048 333017657 /nfs/dbraw/zinc/01/76/57/333017657.db2.gz RWHBQEJNQIVXSQ-UHFFFAOYSA-N 0 1 265.784 3.810 20 0 CHADMN CCc1ccc([C@H]2CCC[N@@H+](Cc3ccnc(C)n3)C2)cc1 ZINC000513418732 333018413 /nfs/dbraw/zinc/01/84/13/333018413.db2.gz CXLXHFNRDMWPKA-SFHVURJKSA-N 0 1 295.430 3.727 20 0 CHADMN Cc1nc2ccccn2c1CN1CCc2ccccc2[C@@H]1C ZINC000513703193 333034003 /nfs/dbraw/zinc/03/40/03/333034003.db2.gz RMVIHKAZSGYHKQ-HNNXBMFYSA-N 0 1 291.398 3.762 20 0 CHADMN C[C@@H]1CCC[N@H+]1[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000575809960 335117591 /nfs/dbraw/zinc/11/75/91/335117591.db2.gz GUHOLMOQGNOSBP-PELKAZGASA-N 0 1 288.174 3.603 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2cc(C)ccc2C)nc1 ZINC000513884814 333046662 /nfs/dbraw/zinc/04/66/62/333046662.db2.gz FORUSUWRUHSPMP-OAHLLOKOSA-N 0 1 284.403 3.900 20 0 CHADMN COc1cc(C[N@@H+](C)Cc2cc(C)sc2C)ccc1O ZINC000177056577 333052915 /nfs/dbraw/zinc/05/29/15/333052915.db2.gz IPQPEYDJTBDDSL-UHFFFAOYSA-N 0 1 291.416 3.711 20 0 CHADMN CC[C@@H](C)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000172693189 335119345 /nfs/dbraw/zinc/11/93/45/335119345.db2.gz LURBDBNCMGJCEZ-RISCZKNCSA-N 0 1 253.773 3.512 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(F)cc2)C(C)C)on1 ZINC000312125127 333077022 /nfs/dbraw/zinc/07/70/22/333077022.db2.gz YUGJLHSBYNNKIM-OAHLLOKOSA-N 0 1 262.328 3.609 20 0 CHADMN CC(C)(C)CC[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000516777510 333082423 /nfs/dbraw/zinc/08/24/23/333082423.db2.gz FZPZLXGJVRXLFT-UHFFFAOYSA-N 0 1 283.799 3.663 20 0 CHADMN CC(C)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000516977630 333088484 /nfs/dbraw/zinc/08/84/84/333088484.db2.gz BSQRVHMQYCJMRZ-ZDUSSCGKSA-N 0 1 275.289 3.984 20 0 CHADMN CCN(Cc1ccc(Cl)cc1Cl)C[C@H](C)OC ZINC000575828521 335120329 /nfs/dbraw/zinc/12/03/29/335120329.db2.gz RKMKPSDBFUTYBU-JTQLQIEISA-N 0 1 276.207 3.850 20 0 CHADMN CC(C)COc1cccc(CN2CC[C@H](OC(F)F)C2)c1 ZINC000517042934 333090663 /nfs/dbraw/zinc/09/06/63/333090663.db2.gz CZUYSLGEHSFBLC-HNNXBMFYSA-N 0 1 299.361 3.535 20 0 CHADMN C[C@@H](NCc1ccc(-c2ccc(F)cc2)o1)c1cnn(C)c1 ZINC000336869097 335122420 /nfs/dbraw/zinc/12/24/20/335122420.db2.gz ZVVUCJSZBOYMNQ-GFCCVEGCSA-N 0 1 299.349 3.670 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000520841605 333097782 /nfs/dbraw/zinc/09/77/82/333097782.db2.gz XMURZJGQVRLWEX-IAGOWNOFSA-N 0 1 289.419 3.682 20 0 CHADMN C[C@H]1CC[C@@H]([N@@H+](C)Cc2cnc(C3CC3)s2)C1 ZINC000517483162 333100356 /nfs/dbraw/zinc/10/03/56/333100356.db2.gz VHRFZUGWWUKRHQ-CMPLNLGQSA-N 0 1 250.411 3.641 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc3c[nH]nc3c2)o1 ZINC000517542829 333101788 /nfs/dbraw/zinc/10/17/88/333101788.db2.gz DPOWSKMPBWFDRG-ABAIWWIYSA-N 0 1 281.359 3.569 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])s1)[C@@H]1CCc2ccccc21 ZINC000517576284 333103042 /nfs/dbraw/zinc/10/30/42/333103042.db2.gz SZSWRFGKRJFSFO-CQSZACIVSA-N 0 1 287.384 3.566 20 0 CHADMN CC[C@H]1CO[C@H](C)CN1CCCOc1cccc(Cl)c1 ZINC000520845078 333105468 /nfs/dbraw/zinc/10/54/68/333105468.db2.gz BBKQVVYXTZPXSK-HIFRSBDPSA-N 0 1 297.826 3.608 20 0 CHADMN OCC[C@@H](NCc1ccc2ccccc2c1)c1ccco1 ZINC000184517235 333129618 /nfs/dbraw/zinc/12/96/18/333129618.db2.gz JRXDQXFCVLFPSG-QGZVFWFLSA-N 0 1 281.355 3.646 20 0 CHADMN Cc1ccc(CNC(C)(C)c2nc3ccccc3n2C)cc1 ZINC000185640835 333145631 /nfs/dbraw/zinc/14/56/31/333145631.db2.gz ALQSCWAAGNBXCS-UHFFFAOYSA-N 0 1 293.414 3.907 20 0 CHADMN COc1ccsc1[C@H](C)NCc1ccc(OC)cc1 ZINC000186074529 333154501 /nfs/dbraw/zinc/15/45/01/333154501.db2.gz OEOUQEVKVVYNRA-NSHDSACASA-N 0 1 277.389 3.616 20 0 CHADMN Clc1cccc(CN2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186452476 333161194 /nfs/dbraw/zinc/16/11/94/333161194.db2.gz HYWZLSVABSZTQG-SFHVURJKSA-N 0 1 299.801 3.971 20 0 CHADMN CC(C)[C@H](N[C@@H](CCO)c1ccco1)c1ccccc1 ZINC000186525211 333162402 /nfs/dbraw/zinc/16/24/02/333162402.db2.gz OLJOTWZCKULGRV-RDJZCZTQSA-N 0 1 273.376 3.690 20 0 CHADMN COc1ccc(F)cc1CN[C@H](C)c1cccc(C)c1 ZINC000187449972 333171198 /nfs/dbraw/zinc/17/11/98/333171198.db2.gz YEZAFRNXUDIFIP-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2CCOc3c(C)cccc32)s1 ZINC000188872715 333175386 /nfs/dbraw/zinc/17/53/86/333175386.db2.gz AHKGAMNZTHQJCZ-CQSZACIVSA-N 0 1 288.416 3.682 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(OC)cc2F)cc1 ZINC000222283971 333179649 /nfs/dbraw/zinc/17/96/49/333179649.db2.gz AQHZNMXJOKOBIX-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN COc1ccc(CN[C@@H](C)c2sc(C)nc2C)c(F)c1 ZINC000222280078 333179654 /nfs/dbraw/zinc/17/96/54/333179654.db2.gz FKYILGOGKJGLTG-VIFPVBQESA-N 0 1 294.395 3.758 20 0 CHADMN CCC[N@H+](Cc1noc(-c2ccsc2)n1)CC(C)C ZINC000521819968 333189881 /nfs/dbraw/zinc/18/98/81/333189881.db2.gz PCBJSHHMQAMSRI-UHFFFAOYSA-N 0 1 279.409 3.666 20 0 CHADMN CCCN(Cc1noc(-c2ccsc2)n1)CC(C)C ZINC000521819968 333189882 /nfs/dbraw/zinc/18/98/82/333189882.db2.gz PCBJSHHMQAMSRI-UHFFFAOYSA-N 0 1 279.409 3.666 20 0 CHADMN CC[C@H](C)N(C)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000189305341 333189914 /nfs/dbraw/zinc/18/99/14/333189914.db2.gz NILVYYPATSJAGN-ZDUSSCGKSA-N 0 1 285.391 3.564 20 0 CHADMN CC(C)N(CCOC(C)(C)C)Cc1ccccc1F ZINC000521821339 333190306 /nfs/dbraw/zinc/19/03/06/333190306.db2.gz FKPVRVBUQDNLRF-UHFFFAOYSA-N 0 1 267.388 3.851 20 0 CHADMN CCC1CCN(CC(=O)N(c2ccccc2)C(C)C)CC1 ZINC000521888700 333195847 /nfs/dbraw/zinc/19/58/47/333195847.db2.gz HNZJUXRYBIFPTB-UHFFFAOYSA-N 0 1 288.435 3.550 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CNCc1ccoc1 ZINC000190849011 333211566 /nfs/dbraw/zinc/21/15/66/333211566.db2.gz LTWOVSCRQYPFQF-UHFFFAOYSA-N 0 1 269.266 3.897 20 0 CHADMN CCCC[C@H](C)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000191575489 333221783 /nfs/dbraw/zinc/22/17/83/333221783.db2.gz ZXKRXXIZFXEQKK-QWRGUYRKSA-N 0 1 253.390 3.596 20 0 CHADMN Cc1cc(CN(C)Cc2ccc3c(n2)CCC3)ccc1F ZINC000521979525 333229152 /nfs/dbraw/zinc/22/91/52/333229152.db2.gz CTQSHLGCQMBOLB-UHFFFAOYSA-N 0 1 284.378 3.650 20 0 CHADMN C[C@H]1CCN(Cc2coc(-c3ccccc3)n2)CCS1 ZINC000192175594 333231614 /nfs/dbraw/zinc/23/16/14/333231614.db2.gz DPPURLFNQILUJR-ZDUSSCGKSA-N 0 1 288.416 3.669 20 0 CHADMN C[C@@H]1CCN(Cc2coc(-c3ccccc3)n2)CCS1 ZINC000192175588 333231619 /nfs/dbraw/zinc/23/16/19/333231619.db2.gz DPPURLFNQILUJR-CYBMUJFWSA-N 0 1 288.416 3.669 20 0 CHADMN Clc1cnc(CNCCC2CCCCC2)s1 ZINC000225306880 333234998 /nfs/dbraw/zinc/23/49/98/333234998.db2.gz FVUAQWRUADRWGZ-UHFFFAOYSA-N 0 1 258.818 3.857 20 0 CHADMN Oc1ccc(CNCc2cc(Cl)cs2)cc1F ZINC000193118627 333243003 /nfs/dbraw/zinc/24/30/03/333243003.db2.gz SKBQVVMEZHZIBT-UHFFFAOYSA-N 0 1 271.744 3.536 20 0 CHADMN CCCN(C)Cc1csc(-c2ccc(C)cc2)n1 ZINC000195017256 333243215 /nfs/dbraw/zinc/24/32/15/333243215.db2.gz XOHQSSGCKDBUQD-UHFFFAOYSA-N 0 1 260.406 3.960 20 0 CHADMN C[C@H](N[C@@H]1COCc2ccccc21)c1ccccc1 ZINC000225973849 333243848 /nfs/dbraw/zinc/24/38/48/333243848.db2.gz LVXNRBATFWXSAH-SUMWQHHRSA-N 0 1 253.345 3.609 20 0 CHADMN CCCn1cc(CN[C@@H](C)c2ccc(SC)cc2)cn1 ZINC000227282955 333279610 /nfs/dbraw/zinc/27/96/10/333279610.db2.gz MGQMSBPLOAHMEW-ZDUSSCGKSA-N 0 1 289.448 3.866 20 0 CHADMN C[C@@H](CCc1ccccc1)[N@@H+](C)Cc1nccn1C(F)F ZINC000194970429 333280272 /nfs/dbraw/zinc/28/02/72/333280272.db2.gz QRTKVKAXIOOSLR-ZDUSSCGKSA-N 0 1 293.361 3.731 20 0 CHADMN C[C@@H](CCc1ccccc1)N(C)Cc1nccn1C(F)F ZINC000194970429 333280273 /nfs/dbraw/zinc/28/02/73/333280273.db2.gz QRTKVKAXIOOSLR-ZDUSSCGKSA-N 0 1 293.361 3.731 20 0 CHADMN COc1cccc([C@H](C)N(C)Cc2cnc(C)s2)c1 ZINC000194983580 333280690 /nfs/dbraw/zinc/28/06/90/333280690.db2.gz BVTIXBBVIXCOIX-NSHDSACASA-N 0 1 276.405 3.653 20 0 CHADMN CC[C@H](NC(=O)c1[nH]nc(C)c1C)c1ccc(Cl)s1 ZINC000522353544 333284035 /nfs/dbraw/zinc/28/40/35/333284035.db2.gz CUUVPHXYZRNRDF-VIFPVBQESA-N 0 1 297.811 3.623 20 0 CHADMN CCCCN1C(=O)N=NC1SC[C@H](C)c1ccccc1 ZINC000522574167 333290645 /nfs/dbraw/zinc/29/06/45/333290645.db2.gz PHKWTHLJKAMNHG-LBPRGKRZSA-N 0 1 291.420 3.680 20 0 CHADMN C[C@H]1SCCN(CCOc2ccccc2Cl)[C@H]1C ZINC000522835376 333296439 /nfs/dbraw/zinc/29/64/39/333296439.db2.gz XRDWQASGPGXYTL-NWDGAFQWSA-N 0 1 285.840 3.545 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000229426565 333304849 /nfs/dbraw/zinc/30/48/49/333304849.db2.gz GDWJYKYVBREJMX-GMTAPVOTSA-N 0 1 281.783 3.552 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2ccc(Br)cn2)C1 ZINC000229491259 333305616 /nfs/dbraw/zinc/30/56/16/333305616.db2.gz IWSOUEIXUJDNJL-IJLUTSLNSA-N 0 1 297.240 3.711 20 0 CHADMN C[C@H](NCc1ccc(-c2ccccc2)cc1)c1cn[nH]c1 ZINC000229885001 333310667 /nfs/dbraw/zinc/31/06/67/333310667.db2.gz ZLRJTZMTOXDZPT-AWEZNQCLSA-N 0 1 277.371 3.928 20 0 CHADMN C[C@@H](NCc1ccc(-c2ccc(F)cc2)o1)c1cn[nH]c1 ZINC000229882763 333310853 /nfs/dbraw/zinc/31/08/53/333310853.db2.gz SOTNJDQRFJVKEA-LLVKDONJSA-N 0 1 285.322 3.660 20 0 CHADMN CC1CCC(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1 ZINC000230060690 333312678 /nfs/dbraw/zinc/31/26/78/333312678.db2.gz BSYWCXLKMKHDKY-XJCPWDRGSA-N 0 1 279.424 3.530 20 0 CHADMN CCC1(CC)CCN(C(=O)c2ccc(F)cc2O)CC1 ZINC000230234873 333316105 /nfs/dbraw/zinc/31/61/05/333316105.db2.gz QPUBSVBETYQLGQ-UHFFFAOYSA-N 0 1 279.355 3.574 20 0 CHADMN C[C@H](O)C[C@@H]1CCCCN1Cc1cc(Cl)ccc1F ZINC000231218783 333324380 /nfs/dbraw/zinc/32/43/80/333324380.db2.gz NIXARXLSLWGRFW-FZMZJTMJSA-N 0 1 285.790 3.605 20 0 CHADMN CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCC2(CCCCC2)C1 ZINC000523594479 333333618 /nfs/dbraw/zinc/33/36/18/333333618.db2.gz QKTNZQXXCXQCDD-HOTGVXAUSA-N 0 1 294.483 3.726 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000233009883 333347088 /nfs/dbraw/zinc/34/70/88/333347088.db2.gz JCIXKCRUOGQVPW-ZBFHGGJFSA-N 0 1 269.429 3.636 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2CCC(C)(C)CC2)c(C)c1 ZINC000524027801 333352143 /nfs/dbraw/zinc/35/21/43/333352143.db2.gz RHZNZRMTAZLZNF-HNNXBMFYSA-N 0 1 288.435 3.752 20 0 CHADMN CCCCOCCN1CCc2cccc(F)c2[C@@H]1C ZINC000524252119 333358005 /nfs/dbraw/zinc/35/80/05/333358005.db2.gz BJPNCLMDUVKSAJ-ZDUSSCGKSA-N 0 1 265.372 3.562 20 0 CHADMN CC(C)CN(C(=O)c1cccc2c[nH]nc21)c1ccccc1 ZINC000564196239 333363571 /nfs/dbraw/zinc/36/35/71/333363571.db2.gz NQNGEXLHYGOQMN-UHFFFAOYSA-N 0 1 293.370 3.866 20 0 CHADMN C[N@H+](C/C=C/c1ccccc1)CCCC(=O)OC(C)(C)C ZINC000524596470 333368005 /nfs/dbraw/zinc/36/80/05/333368005.db2.gz FOGCMGDCVNYXKT-XYOKQWHBSA-N 0 1 289.419 3.754 20 0 CHADMN CCCCCNC(=O)CN(C)[C@@H](C)c1cc(C)ccc1C ZINC000524595708 333368043 /nfs/dbraw/zinc/36/80/43/333368043.db2.gz SDRWGACASOMCPD-INIZCTEOSA-N 0 1 290.451 3.603 20 0 CHADMN CCCCCNC(=O)CN(C)[C@H](C)c1cc(C)ccc1C ZINC000524595709 333368049 /nfs/dbraw/zinc/36/80/49/333368049.db2.gz SDRWGACASOMCPD-MRXNPFEDSA-N 0 1 290.451 3.603 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cccc3ccccc32)[C@@H]1C(=O)[O-] ZINC000235393845 333368946 /nfs/dbraw/zinc/36/89/46/333368946.db2.gz OUZXAYMNIWBBJU-DYVFJYSZSA-N 0 1 283.371 3.525 20 0 CHADMN CC[C@@H](C)[N@@H+](CCSc1ccc(C)c(C)c1)CC(=O)[O-] ZINC000236867074 333375870 /nfs/dbraw/zinc/37/58/70/333375870.db2.gz BBRVLRCWTNHQJT-CQSZACIVSA-N 0 1 295.448 3.581 20 0 CHADMN [O-]c1cccc(C[NH2+]CCC2=CCCC2)c1Br ZINC000315730685 333383543 /nfs/dbraw/zinc/38/35/43/333383543.db2.gz OMABRRVPFOEPTP-UHFFFAOYSA-N 0 1 296.208 3.745 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1coc2ccccc12 ZINC000316331345 333388223 /nfs/dbraw/zinc/38/82/23/333388223.db2.gz OJXQMGJCXBSGIO-MAZHCROVSA-N 0 1 299.370 3.651 20 0 CHADMN CC[C@H]1CN(Cc2ccc3ccccc3c2)C[C@H](C)O1 ZINC000524811819 333388981 /nfs/dbraw/zinc/38/89/81/333388981.db2.gz RYZSOFNSMWMPNL-KSSFIOAISA-N 0 1 269.388 3.839 20 0 CHADMN Cc1ccc2nc(SCCCOC(C)C)[nH]c2c1 ZINC000525004470 333395202 /nfs/dbraw/zinc/39/52/02/333395202.db2.gz PCQPDEUSFYAAQB-UHFFFAOYSA-N 0 1 264.394 3.779 20 0 CHADMN COCCC1CCN(Cc2ccc(Cl)s2)CC1 ZINC000528572141 333446292 /nfs/dbraw/zinc/44/62/92/333446292.db2.gz AUUGUTCMERHENT-UHFFFAOYSA-N 0 1 273.829 3.650 20 0 CHADMN COCCC1CCN(Cc2ccsc2Cl)CC1 ZINC000528583194 333447253 /nfs/dbraw/zinc/44/72/53/333447253.db2.gz PXDNLPZNURIKSK-UHFFFAOYSA-N 0 1 273.829 3.650 20 0 CHADMN CCOc1ncccc1CN[C@@H](C)c1cccc(C)c1 ZINC000173887020 335142699 /nfs/dbraw/zinc/14/26/99/335142699.db2.gz UQRCNZCPBYDFMU-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN CC1([NH2+]Cc2cccc([O-])c2Cl)CCCCC1 ZINC000328249826 333489034 /nfs/dbraw/zinc/48/90/34/333489034.db2.gz SJSHIURUKBFUDX-UHFFFAOYSA-N 0 1 253.773 3.858 20 0 CHADMN Cc1nc(CN2C[C@H](C)CC[C@@H]2C)nc2ccccc12 ZINC000174013543 335146785 /nfs/dbraw/zinc/14/67/85/335146785.db2.gz HXHOUXVNWAPPOM-OLZOCXBDSA-N 0 1 269.392 3.559 20 0 CHADMN CCc1nc2c(s1)[C@H](NCc1cccc(C)n1)CCC2 ZINC000127264698 333625011 /nfs/dbraw/zinc/62/50/11/333625011.db2.gz ONNXOHWLUHSHGY-CYBMUJFWSA-N 0 1 287.432 3.576 20 0 CHADMN Cn1ccc(CN[C@@H]2CCCc3c4ccccc4sc32)n1 ZINC000539044299 333650694 /nfs/dbraw/zinc/65/06/94/333650694.db2.gz KKVGOFRGMKWFPC-OAHLLOKOSA-N 0 1 297.427 3.802 20 0 CHADMN Cn1ccc(CN[C@H]2CCCc3c4ccccc4sc32)n1 ZINC000539044287 333650840 /nfs/dbraw/zinc/65/08/40/333650840.db2.gz KKVGOFRGMKWFPC-HNNXBMFYSA-N 0 1 297.427 3.802 20 0 CHADMN CC[C@H](NCc1nnc(C2CC2)o1)C(C)(C)c1ccccc1 ZINC000540522725 333733821 /nfs/dbraw/zinc/73/38/21/333733821.db2.gz WHNZTZCOQYJODV-HNNXBMFYSA-N 0 1 299.418 3.793 20 0 CHADMN CC[C@H](NCc1cnoc1C)c1cccc(Cl)c1 ZINC000129734887 333793646 /nfs/dbraw/zinc/79/36/46/333793646.db2.gz HLFPFWYDCKWWKE-AWEZNQCLSA-N 0 1 264.756 3.877 20 0 CHADMN Cc1ccc(Cl)c(NC(=O)c2c(O)cccc2F)c1 ZINC000129792456 333795075 /nfs/dbraw/zinc/79/50/75/333795075.db2.gz QIJNUGWLRNHESF-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN CC[C@H]1CCC[C@H](CNC2(c3noc(C)n3)CCCC2)C1 ZINC000542247379 333818308 /nfs/dbraw/zinc/81/83/08/333818308.db2.gz JDOVIXFJSHNWKX-GJZGRUSLSA-N 0 1 291.439 3.953 20 0 CHADMN Fc1ccc([C@@H](NC[C@@H]2CC=CCC2)c2cnccn2)cc1 ZINC000542477023 333826668 /nfs/dbraw/zinc/82/66/68/333826668.db2.gz BBHXXGCFQDTWNN-RDTXWAMCSA-N 0 1 297.377 3.651 20 0 CHADMN CCCCN[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000542481283 333826797 /nfs/dbraw/zinc/82/67/97/333826797.db2.gz RWUXCWUXAKIAMO-MRXNPFEDSA-N 0 1 276.330 3.839 20 0 CHADMN CC[C@@H](N[C@@H](CC)c1ccn(C)n1)c1ccc(OC)cc1 ZINC000542671236 333835815 /nfs/dbraw/zinc/83/58/15/333835815.db2.gz PSOZULZPLBEMGI-CVEARBPZSA-N 0 1 287.407 3.621 20 0 CHADMN c1nc(C2CC2)sc1CNc1cc2c(cn1)CCCC2 ZINC000564262948 333851139 /nfs/dbraw/zinc/85/11/39/333851139.db2.gz SJRRALQMYHRFLP-UHFFFAOYSA-N 0 1 285.416 3.906 20 0 CHADMN CC(C)Cc1noc(CN[C@H](C)[C@H](C)C2CCCCC2)n1 ZINC000543461301 333876669 /nfs/dbraw/zinc/87/66/69/333876669.db2.gz YIXJWUWXNFCBPK-UONOGXRCSA-N 0 1 293.455 3.963 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](C)[C@H](C)c2ccccc2)o1 ZINC000543468353 333876906 /nfs/dbraw/zinc/87/69/06/333876906.db2.gz ARFOQGUUOIAPRJ-MJBXVCDLSA-N 0 1 258.365 3.826 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)NC3CCCC3)n2)cc1F ZINC000543542795 333879680 /nfs/dbraw/zinc/87/96/80/333879680.db2.gz LLJAWEXPUYVIOO-NSHDSACASA-N 0 1 289.354 3.777 20 0 CHADMN Cc1ccc(-c2noc([C@@H](C)NC3CCCC3)n2)cc1F ZINC000543542793 333879790 /nfs/dbraw/zinc/87/97/90/333879790.db2.gz LLJAWEXPUYVIOO-LLVKDONJSA-N 0 1 289.354 3.777 20 0 CHADMN CCN(CC)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000072513444 333939782 /nfs/dbraw/zinc/93/97/82/333939782.db2.gz HUTMJXRGELFLDV-JTQLQIEISA-N 0 1 279.771 3.793 20 0 CHADMN CC[C@H]1CN(Cc2nccn2CC)CC[C@@H]1c1ccccc1 ZINC000174885585 335168613 /nfs/dbraw/zinc/16/86/13/335168613.db2.gz SINGWYLFZBMABJ-WMZOPIPTSA-N 0 1 297.446 3.919 20 0 CHADMN CC(C)Oc1ccccc1NC(=O)c1cccc2nc[nH]c21 ZINC000074732465 334012794 /nfs/dbraw/zinc/01/27/94/334012794.db2.gz YGEDCLDANJHBTJ-UHFFFAOYSA-N 0 1 295.342 3.602 20 0 CHADMN Cc1nc2cc(NCc3ncc(Cl)s3)ccc2n1C ZINC000546022069 334013055 /nfs/dbraw/zinc/01/30/55/334013055.db2.gz ZFHJXOAHDDOMIP-UHFFFAOYSA-N 0 1 292.795 3.604 20 0 CHADMN CCN(CCC1CC1)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000546226788 334020495 /nfs/dbraw/zinc/02/04/95/334020495.db2.gz HTPCKNTWVBMLBL-NSHDSACASA-N 0 1 265.401 3.550 20 0 CHADMN Cc1c(F)cccc1NS(=O)(=O)c1ccccc1Cl ZINC000075082519 334027993 /nfs/dbraw/zinc/02/79/93/334027993.db2.gz KSOOHHFGBOKKBW-UHFFFAOYSA-N 0 1 299.754 3.588 20 0 CHADMN Cc1cc(-c2noc(C[C@H]3CC[C@H](C)C3)n2)cc2nc[nH]c21 ZINC000546439616 334032760 /nfs/dbraw/zinc/03/27/60/334032760.db2.gz XVBKQLLNVCUVDI-JQWIXIFHSA-N 0 1 296.374 3.900 20 0 CHADMN Cc1cc(CN[C@@H](C)Cc2cccc(C(F)(F)F)c2)no1 ZINC000546691228 334046026 /nfs/dbraw/zinc/04/60/26/334046026.db2.gz XGYOUAQGPROMGA-JTQLQIEISA-N 0 1 298.308 3.723 20 0 CHADMN CC(C)N(Cc1coc(-c2cccs2)n1)C1CC1 ZINC000075610042 334046814 /nfs/dbraw/zinc/04/68/14/334046814.db2.gz TWKGGMBABUDAJZ-UHFFFAOYSA-N 0 1 262.378 3.776 20 0 CHADMN c1csc([C@@H](NC2CCCC2)c2ccccc2)n1 ZINC000236575872 334055450 /nfs/dbraw/zinc/05/54/50/334055450.db2.gz YSWYJDZIDQSABT-AWEZNQCLSA-N 0 1 258.390 3.765 20 0 CHADMN CC(C)=C(F)c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000547162594 334070030 /nfs/dbraw/zinc/07/00/30/334070030.db2.gz BHZKKPQMVPHFJZ-UHFFFAOYSA-N 0 1 293.317 3.658 20 0 CHADMN Cc1ccc(CN2CCC(c3ccccc3F)CC2)cn1 ZINC000547320295 334078819 /nfs/dbraw/zinc/07/88/19/334078819.db2.gz ZZFCQVXQOQMKBG-UHFFFAOYSA-N 0 1 284.378 3.909 20 0 CHADMN C[C@H](NCc1ccoc1)c1ccc(F)c(Cl)c1 ZINC000134285072 334086834 /nfs/dbraw/zinc/08/68/34/334086834.db2.gz IBXXJQOVWGOVPJ-VIFPVBQESA-N 0 1 253.704 3.923 20 0 CHADMN CCCCc1noc(CN[C@H]2CCCC[C@@H]2CCC)n1 ZINC000547509498 334096364 /nfs/dbraw/zinc/09/63/64/334096364.db2.gz CYBXFGRAGZKMDK-KBPBESRZSA-N 0 1 279.428 3.861 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cnc2ccc(Cl)cn12 ZINC000547604764 334102336 /nfs/dbraw/zinc/10/23/36/334102336.db2.gz GCXKEQQAZSCPPG-GFCCVEGCSA-N 0 1 277.799 3.752 20 0 CHADMN COc1cccc(Cl)c1CNCCOCCC(C)C ZINC000134783086 334104073 /nfs/dbraw/zinc/10/40/73/334104073.db2.gz IDHGIDLJELRSSI-UHFFFAOYSA-N 0 1 285.815 3.501 20 0 CHADMN C[C@H](c1cccc(Br)c1)N1[C@H](C)C[C@@H]1C ZINC000547768769 334116075 /nfs/dbraw/zinc/11/60/75/334116075.db2.gz QYKGTYXINBVXPX-OUAUKWLOSA-N 0 1 268.198 3.993 20 0 CHADMN C[C@H](c1ccc(Br)cc1)N1[C@H](C)C[C@@H]1C ZINC000547769923 334116080 /nfs/dbraw/zinc/11/60/80/334116080.db2.gz CFMWEUWGAFQXND-OUAUKWLOSA-N 0 1 268.198 3.993 20 0 CHADMN C[C@H](c1cccc(Br)c1)N1[C@H](C)C[C@H]1C ZINC000547768767 334116112 /nfs/dbraw/zinc/11/61/12/334116112.db2.gz QYKGTYXINBVXPX-GMTAPVOTSA-N 0 1 268.198 3.993 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N(C)CCC1CC1 ZINC000135262165 334122434 /nfs/dbraw/zinc/12/24/34/334122434.db2.gz GJGOXNAUPCULJB-LLVKDONJSA-N 0 1 250.386 3.765 20 0 CHADMN CN(CCC1CC1)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000135309096 334124913 /nfs/dbraw/zinc/12/49/13/334124913.db2.gz HYLVKEFWDSBWEN-UHFFFAOYSA-N 0 1 291.782 3.622 20 0 CHADMN CCC[C@@H]1CCCC[C@H]1NCc1nc(C(C)(C)C)no1 ZINC000547832744 334125023 /nfs/dbraw/zinc/12/50/23/334125023.db2.gz UPXIGOLKHUKXRO-CHWSQXEVSA-N 0 1 279.428 3.816 20 0 CHADMN C[C@@H]1C[C@@H](c2cccnc2)N(Cc2cnc(C3CC3)s2)C1 ZINC000547997487 334134599 /nfs/dbraw/zinc/13/45/99/334134599.db2.gz XCMYAASUFPXOBI-WBMJQRKESA-N 0 1 299.443 3.999 20 0 CHADMN FC(F)(F)CSc1n[nH]c(CCC2CCCC2)n1 ZINC000079078285 334147395 /nfs/dbraw/zinc/14/73/95/334147395.db2.gz CBSTWXQFYCRCKN-UHFFFAOYSA-N 0 1 279.331 3.582 20 0 CHADMN FC(F)(F)CSc1nc(CCC2CCCC2)n[nH]1 ZINC000079078285 334147396 /nfs/dbraw/zinc/14/73/96/334147396.db2.gz CBSTWXQFYCRCKN-UHFFFAOYSA-N 0 1 279.331 3.582 20 0 CHADMN Cc1cc(Cl)ccc1CN1CCC[C@@H](n2cccn2)C1 ZINC000136183538 334149153 /nfs/dbraw/zinc/14/91/53/334149153.db2.gz RSADNVAXIDALQG-MRXNPFEDSA-N 0 1 289.810 3.682 20 0 CHADMN Cc1cc(Cl)ccc1CN(C)Cc1cccn1C ZINC000136205225 334149227 /nfs/dbraw/zinc/14/92/27/334149227.db2.gz XOTWGRLTXYYFGM-UHFFFAOYSA-N 0 1 262.784 3.619 20 0 CHADMN C[C@@H]1C[C@@H](C)N1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000548424996 334155681 /nfs/dbraw/zinc/15/56/81/334155681.db2.gz IEVSHRASCPSVFF-VXGBXAGGSA-N 0 1 295.810 3.527 20 0 CHADMN Cc1ccc(C[N@@H+](C)CCC(=O)Nc2ccccc2)s1 ZINC000080070130 334165613 /nfs/dbraw/zinc/16/56/13/334165613.db2.gz ULMUMWTVXYRJGP-UHFFFAOYSA-N 0 1 288.416 3.517 20 0 CHADMN Cc1nc2cc(N[C@@H]3CCCC34CCOCC4)ccc2n1C ZINC000548859321 334176753 /nfs/dbraw/zinc/17/67/53/334176753.db2.gz YRVSSQCSDVSUEQ-QGZVFWFLSA-N 0 1 299.418 3.643 20 0 CHADMN C[C@@H]1C[C@@H](Sc2nc(-c3ccccc3)n[nH]2)C[C@H](C)O1 ZINC000549011498 334182422 /nfs/dbraw/zinc/18/24/22/334182422.db2.gz BFPOMSGXDBJNSK-PTEHBNRSSA-N 0 1 289.404 3.520 20 0 CHADMN COc1ccc(-c2n[nH]c(S[C@@H]3CC[C@@H](C)C3)n2)cc1 ZINC000549011031 334182425 /nfs/dbraw/zinc/18/24/25/334182425.db2.gz UEZPCYYOAFGDFY-ZWNOBZJWSA-N 0 1 289.404 3.761 20 0 CHADMN Cc1cc(C(=O)N2CCCC[C@H]2c2cccc(C)c2C)n[nH]1 ZINC000081323469 334185293 /nfs/dbraw/zinc/18/52/93/334185293.db2.gz GCQMVBLBHRGKAE-KRWDZBQOSA-N 0 1 297.402 3.702 20 0 CHADMN Cc1cc(N2CC[C@H](OC(F)F)C2)c2cc(F)ccc2n1 ZINC000549259529 334188952 /nfs/dbraw/zinc/18/89/52/334188952.db2.gz CFBQDWWXGCNOKP-NSHDSACASA-N 0 1 296.292 3.500 20 0 CHADMN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@H]1C ZINC000245492895 334196918 /nfs/dbraw/zinc/19/69/18/334196918.db2.gz KKJIOIVJRBCPJK-GHMZBOCLSA-N 0 1 291.782 3.935 20 0 CHADMN CCOC1(C)CCN(Cc2cccc(F)c2Cl)CC1 ZINC000549717608 334202521 /nfs/dbraw/zinc/20/25/21/334202521.db2.gz GDZYBKUPQFWLCZ-UHFFFAOYSA-N 0 1 285.790 3.870 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2nc3ccccc3o2)CCS1 ZINC000245548204 334202711 /nfs/dbraw/zinc/20/27/11/334202711.db2.gz NIDYFEKGWBENAQ-VXGBXAGGSA-N 0 1 276.405 3.716 20 0 CHADMN CC1(C)C[N@H+]([C@@H]2C=CCCCCC2)[C@@H]1[C@H]1CCCO1 ZINC000549717949 334202750 /nfs/dbraw/zinc/20/27/50/334202750.db2.gz LZEJCRYCPPJESH-BZUAXINKSA-N 0 1 263.425 3.765 20 0 CHADMN c1[nH]c(-c2ccccc2)nc1CN1CCC[C@H]2CCC[C@H]21 ZINC000245550913 334203032 /nfs/dbraw/zinc/20/30/32/334203032.db2.gz APKNEWNCXLHJGH-RHSMWYFYSA-N 0 1 281.403 3.841 20 0 CHADMN CC[C@@H](C(=O)NC(C)(CC)CC)N(C)Cc1ccccc1 ZINC000549772307 334204471 /nfs/dbraw/zinc/20/44/71/334204471.db2.gz VRLXLNODXFMULW-INIZCTEOSA-N 0 1 290.451 3.592 20 0 CHADMN Cc1nc(CN(C)[C@H]2CC[C@H](C)C2)nc2ccccc12 ZINC000549918426 334208617 /nfs/dbraw/zinc/20/86/17/334208617.db2.gz FARVXHMSPUGCCN-JSGCOSHPSA-N 0 1 269.392 3.559 20 0 CHADMN CCCCN(Cc1ncnn1CCC)[C@@H]1CCC[C@H](C)C1 ZINC000549999725 334211314 /nfs/dbraw/zinc/21/13/14/334211314.db2.gz ANWVTSVOZDPVGM-JKSUJKDBSA-N 0 1 292.471 3.869 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1nc2ccccc2[nH]1 ZINC000550262666 334218096 /nfs/dbraw/zinc/21/80/96/334218096.db2.gz MWUHYZCFHGUVJM-UHFFFAOYSA-N 0 1 279.387 3.896 20 0 CHADMN c1nc(CNCCc2cc3ccccc3s2)cs1 ZINC000550271878 334218577 /nfs/dbraw/zinc/21/85/77/334218577.db2.gz ZSUIAYSLFPTHOE-UHFFFAOYSA-N 0 1 274.414 3.690 20 0 CHADMN CC(=O)c1c(C)cc(C)c(CN2C[C@H](C)[C@@H]2C)c1C ZINC000550306026 334219613 /nfs/dbraw/zinc/21/96/13/334219613.db2.gz OIBNANQOLJMBNV-JSGCOSHPSA-N 0 1 259.393 3.655 20 0 CHADMN C[C@H]1CN(Cc2ccc(Cl)c3cccnc23)[C@H]1C ZINC000550312502 334219803 /nfs/dbraw/zinc/21/98/03/334219803.db2.gz ZGPLCVURQCILKX-QWRGUYRKSA-N 0 1 260.768 3.728 20 0 CHADMN CC[C@H](F)CN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000550391331 334221674 /nfs/dbraw/zinc/22/16/74/334221674.db2.gz QMYJGDSAADRQFF-JSGCOSHPSA-N 0 1 271.763 3.541 20 0 CHADMN C[C@H]1CCN(Cc2coc(-c3ccccc3)n2)C[C@H]1C ZINC000245862729 334222035 /nfs/dbraw/zinc/22/20/35/334222035.db2.gz FQVGVVGZNMGUJB-UONOGXRCSA-N 0 1 270.376 3.820 20 0 CHADMN Cc1ccc([C@H]2CCC[C@@H]2NCC(C)(F)F)cc1 ZINC000550882656 334231721 /nfs/dbraw/zinc/23/17/21/334231721.db2.gz QMXCKZWTMZZISE-KGLIPLIRSA-N 0 1 253.336 3.876 20 0 CHADMN CC[C@H](NCc1ncn(-c2ccccc2)n1)C1CCCCC1 ZINC000550928142 334233638 /nfs/dbraw/zinc/23/36/38/334233638.db2.gz JDLMXWCHMDVABW-KRWDZBQOSA-N 0 1 298.434 3.716 20 0 CHADMN Cc1cccnc1[C@H]1CCC[C@@H](NCC(C)(F)F)C1 ZINC000551251843 334243019 /nfs/dbraw/zinc/24/30/19/334243019.db2.gz FHGNNICJCGROMB-QWHCGFSZSA-N 0 1 268.351 3.661 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccc2ccccc2n1 ZINC000551305495 334245790 /nfs/dbraw/zinc/24/57/90/334245790.db2.gz YEMGGEUKWRHKSI-PVXIVEMSSA-N 0 1 258.340 3.776 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCC[C@@H]1F)CCCO2 ZINC000551306082 334246037 /nfs/dbraw/zinc/24/60/37/334246037.db2.gz BBXIRHGNPGSUCH-SOUVJXGZSA-N 0 1 263.356 3.689 20 0 CHADMN CC1CN(Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000551583213 334255072 /nfs/dbraw/zinc/25/50/72/334255072.db2.gz JOFAENVFVOASLD-UHFFFAOYSA-N 0 1 278.808 3.915 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CC[C@@H](C)C[C@@H](C)C2)n1 ZINC000246599329 334265065 /nfs/dbraw/zinc/26/50/65/334265065.db2.gz HBWHFVXKXDNCJD-JHJVBQTASA-N 0 1 265.401 3.622 20 0 CHADMN CC(C)c1noc([C@H](C)N2CC[C@@H](C)C[C@H](C)C2)n1 ZINC000246599294 334265086 /nfs/dbraw/zinc/26/50/86/334265086.db2.gz HBWHFVXKXDNCJD-AGIUHOORSA-N 0 1 265.401 3.622 20 0 CHADMN CC(C)[C@@H]1CCCN([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000246684968 334267017 /nfs/dbraw/zinc/26/70/17/334267017.db2.gz HRBZBVSYZIQOTA-CHWSQXEVSA-N 0 1 277.412 3.766 20 0 CHADMN C(c1nc(C2CCCC2)no1)N1CCC[C@H]2CCCC[C@H]21 ZINC000246746336 334268834 /nfs/dbraw/zinc/26/88/34/334268834.db2.gz PVTBHBUCMSUQNV-UKRRQHHQSA-N 0 1 289.423 3.882 20 0 CHADMN Fc1ccccc1CN(CCC(F)(F)F)CC1CC1 ZINC000084138321 334270377 /nfs/dbraw/zinc/27/03/77/334270377.db2.gz FQKAPGCFFMKJIT-UHFFFAOYSA-N 0 1 275.289 3.990 20 0 CHADMN CC[C@H](C)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000247182269 334277124 /nfs/dbraw/zinc/27/71/24/334277124.db2.gz LURBDBNCMGJCEZ-SMDDNHRTSA-N 0 1 253.773 3.512 20 0 CHADMN c1ccc([C@H]2C[C@H]2CN2CCOC3(CCCCC3)C2)cc1 ZINC000552064054 334284245 /nfs/dbraw/zinc/28/42/45/334284245.db2.gz WGTOFELWHLFIBU-ZWKOTPCHSA-N 0 1 285.431 3.825 20 0 CHADMN CC(C)[C@@H]1CC[C@H]1NCc1ncc(-c2ccccc2)cn1 ZINC000552065750 334284514 /nfs/dbraw/zinc/28/45/14/334284514.db2.gz MOPJCYUADCTLAS-DLBZAZTESA-N 0 1 281.403 3.668 20 0 CHADMN Cc1ccccc1[C@H]1CN(CCCOC(C)C)[C@@H](C)CO1 ZINC000247544971 334285231 /nfs/dbraw/zinc/28/52/31/334285231.db2.gz PMJLIYIQRHQMEK-FUHWJXTLSA-N 0 1 291.435 3.572 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000086757490 334315653 /nfs/dbraw/zinc/31/56/53/334315653.db2.gz LFXZWLKUJIWICJ-GHMZBOCLSA-N 0 1 299.773 3.727 20 0 CHADMN C[C@@H](NC[C@@H]1CC[C@@H](C)O1)c1c(F)cccc1Cl ZINC000249063650 334326537 /nfs/dbraw/zinc/32/65/37/334326537.db2.gz JVJLPOPBOPVREU-MXWKQRLJSA-N 0 1 271.763 3.697 20 0 CHADMN CCN(Cc1nc(C(C)C)no1)[C@H]1CCCC[C@H]1C ZINC000249323775 334331979 /nfs/dbraw/zinc/33/19/79/334331979.db2.gz GNZHZYLTKRTDEW-OLZOCXBDSA-N 0 1 265.401 3.594 20 0 CHADMN CCN(Cc1nc(C(C)C)no1)[C@@H]1CCCC[C@H]1C ZINC000249323771 334332033 /nfs/dbraw/zinc/33/20/33/334332033.db2.gz GNZHZYLTKRTDEW-CHWSQXEVSA-N 0 1 265.401 3.594 20 0 CHADMN CCC(CC)NC(=O)[C@H](C)N1CCC[C@H]1c1cccs1 ZINC000249345063 334332410 /nfs/dbraw/zinc/33/24/10/334332410.db2.gz TZXNGFNIQBWLEF-JSGCOSHPSA-N 0 1 294.464 3.578 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CCC[C@H](C)CC1 ZINC000249814346 334340846 /nfs/dbraw/zinc/34/08/46/334340846.db2.gz AEEUKTPSFYOYDZ-NWDGAFQWSA-N 0 1 265.401 3.550 20 0 CHADMN CCOCc1ccccc1CNCc1ccncc1Cl ZINC000088781201 334341389 /nfs/dbraw/zinc/34/13/89/334341389.db2.gz DNVUNRVRBRXRGO-UHFFFAOYSA-N 0 1 290.794 3.561 20 0 CHADMN Cn1nccc1CN[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000089695936 334348863 /nfs/dbraw/zinc/34/88/63/334348863.db2.gz DTWQZTKLBDYQGY-AWEZNQCLSA-N 0 1 296.201 3.504 20 0 CHADMN COc1ccc(F)cc1CNC(C)(C)c1cccc(F)c1 ZINC000552978718 334354294 /nfs/dbraw/zinc/35/42/94/334354294.db2.gz SQLILHWBYFOEBK-UHFFFAOYSA-N 0 1 291.341 3.998 20 0 CHADMN COC[C@@H]1CN([C@H](C)c2ccc3ccccc3c2)C[C@@H](C)O1 ZINC000251779902 334369529 /nfs/dbraw/zinc/36/95/29/334369529.db2.gz LHUCSMFFNLGFDQ-CLCXKQKWSA-N 0 1 299.414 3.637 20 0 CHADMN Cn1ccnc1[C@H](NC1CCCC1)c1ccc(Cl)cc1 ZINC000553575939 334392418 /nfs/dbraw/zinc/39/24/18/334392418.db2.gz RFKZDYIAMGOLLN-OAHLLOKOSA-N 0 1 289.810 3.695 20 0 CHADMN CCc1ccccc1C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000553812346 334399632 /nfs/dbraw/zinc/39/96/32/334399632.db2.gz UWAZCCVKUMOMGI-UHFFFAOYSA-N 0 1 279.343 3.686 20 0 CHADMN F[C@H]1CCC[C@H]1N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000556259754 334504544 /nfs/dbraw/zinc/50/45/44/334504544.db2.gz LGDFJEJQETWCPZ-RRFJBIMHSA-N 0 1 275.367 3.913 20 0 CHADMN FCCCCCN1CCN(c2ccccc2Cl)CC1 ZINC000556288559 334506230 /nfs/dbraw/zinc/50/62/30/334506230.db2.gz VBDZEAWQJSFVFE-UHFFFAOYSA-N 0 1 284.806 3.602 20 0 CHADMN CC[C@H]1CC[C@H](c2nc(C3(N)CCCCC3)no2)CC1 ZINC000262121295 334531205 /nfs/dbraw/zinc/53/12/05/334531205.db2.gz CBBHNKJCMDYWDK-JOCQHMNTSA-N 0 1 277.412 3.872 20 0 CHADMN c1c[nH]c([C@H](NCC23CCC(CC2)C3)c2ccccc2)n1 ZINC000565637675 334582612 /nfs/dbraw/zinc/58/26/12/334582612.db2.gz ROLYUDRMEBOMBO-BFHRDPOASA-N 0 1 281.403 3.669 20 0 CHADMN COc1ccc(CN2CCC(OC(C)(C)C)CC2)c(F)c1 ZINC000565955462 334611952 /nfs/dbraw/zinc/61/19/52/334611952.db2.gz FYWAUKPNAMPPIZ-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN Cc1nc2c(n1CCOc1ccc(Cl)cc1)CCCC2 ZINC000567181090 334688200 /nfs/dbraw/zinc/68/82/00/334688200.db2.gz UPUMLJGDFQIFFO-UHFFFAOYSA-N 0 1 290.794 3.803 20 0 CHADMN CCCOc1ncccc1CN[C@@H]1CCc2c1cccc2C ZINC000154688791 334702057 /nfs/dbraw/zinc/70/20/57/334702057.db2.gz OUOXFNWSZDGWNC-GOSISDBHSA-N 0 1 296.414 3.956 20 0 CHADMN COc1cccc2cc([C@H](C)N[C@@H](C)c3cnn(C)c3)oc21 ZINC000268766920 334715703 /nfs/dbraw/zinc/71/57/03/334715703.db2.gz QSJXNTHRZYLZCV-RYUDHWBXSA-N 0 1 299.374 3.587 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccc1C(F)(F)F)c1cnn(C)c1 ZINC000268875604 334717822 /nfs/dbraw/zinc/71/78/22/334717822.db2.gz WMKXMVDUXGVMNM-QWRGUYRKSA-N 0 1 297.324 3.851 20 0 CHADMN Cc1nc(C2(NC[C@@H]3CC(C)=C[C@@H](C)C3)CCCC2)no1 ZINC000573169327 334914297 /nfs/dbraw/zinc/91/42/97/334914297.db2.gz APZNPNYDDICJFI-DOMZBBRYSA-N 0 1 289.423 3.729 20 0 CHADMN CC(C)c1cccc(N(C)C(=O)c2ccc3cncn3c2)c1 ZINC000573188752 334915787 /nfs/dbraw/zinc/91/57/87/334915787.db2.gz SVHBEMHDUONGKM-UHFFFAOYSA-N 0 1 293.370 3.734 20 0 CHADMN Cc1ccc(CC(=O)Nc2nc3ccc(F)cc3[nH]2)cc1C ZINC000576329889 335190243 /nfs/dbraw/zinc/19/02/43/335190243.db2.gz VTMWZDNWUYWSPE-UHFFFAOYSA-N 0 1 297.333 3.500 20 0 CHADMN CCCN(Cc1nccn1Cc1ccccc1)C(C)C ZINC000576358007 335194258 /nfs/dbraw/zinc/19/42/58/335194258.db2.gz VPTLGDVNYDAYSZ-UHFFFAOYSA-N 0 1 271.408 3.552 20 0 CHADMN CCCN(Cc1nc(-c2ccc(F)c(C)c2)no1)C(C)C ZINC000576408999 335200333 /nfs/dbraw/zinc/20/03/33/335200333.db2.gz JLSBJLZJYXZXIS-UHFFFAOYSA-N 0 1 291.370 3.805 20 0 CHADMN CN(Cc1cc(Cl)cn1C)C[C@H]1CCC2(CCCC2)O1 ZINC000576481704 335210596 /nfs/dbraw/zinc/21/05/96/335210596.db2.gz MBFZXVKHRCIWIV-OAHLLOKOSA-N 0 1 296.842 3.602 20 0 CHADMN CN(C)c1cccnc1CN[C@@H](CC1CC1)c1ccccc1 ZINC000576793634 335248228 /nfs/dbraw/zinc/24/82/28/335248228.db2.gz SNSFVJLVPWTLMR-KRWDZBQOSA-N 0 1 295.430 3.779 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccc2ccccc2c1 ZINC000576880887 335259731 /nfs/dbraw/zinc/25/97/31/335259731.db2.gz FOCVTEXQERIVBA-UHFFFAOYSA-N 0 1 285.387 3.773 20 0 CHADMN C[C@]1(Cc2cccc(F)c2)CCCN1Cc1nccs1 ZINC000576983326 335273335 /nfs/dbraw/zinc/27/33/35/335273335.db2.gz PABUVUHUAWWMDU-MRXNPFEDSA-N 0 1 290.407 3.879 20 0 CHADMN CC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1ccc(C)cc1 ZINC000345354344 335316747 /nfs/dbraw/zinc/31/67/47/335316747.db2.gz KUNDQQXITYGMPC-VNQPRFMTSA-N 0 1 269.392 3.938 20 0 CHADMN COc1ccccc1[C@H](CO)N[C@H]1C[C@@H](C)c2ccccc21 ZINC000577298487 335337109 /nfs/dbraw/zinc/33/71/09/335337109.db2.gz KFJITGZHMUUGBB-BVGQSLNGSA-N 0 1 297.398 3.567 20 0 CHADMN CC(C)(CC[N@@H+](Cc1ccc(F)cc1)C1CC1)CC(=O)[O-] ZINC000577404300 335349293 /nfs/dbraw/zinc/34/92/93/335349293.db2.gz IRKWSULRGNTWEB-UHFFFAOYSA-N 0 1 293.382 3.681 20 0 CHADMN C[C@@H](CC(=O)[O-])[N@@H+](C)Cc1ccccc1Oc1ccccc1 ZINC000577510353 335362664 /nfs/dbraw/zinc/36/26/64/335362664.db2.gz WUOBSZIGILRLAM-AWEZNQCLSA-N 0 1 299.370 3.774 20 0 CHADMN Cc1noc([C@H](C)[N@H+](C)C[C@H](C)CCc2ccccc2)n1 ZINC000577626787 335381749 /nfs/dbraw/zinc/38/17/49/335381749.db2.gz SPFKRAPWRSAQNF-KGLIPLIRSA-N 0 1 287.407 3.640 20 0 CHADMN Cc1noc([C@H](C)N(C)C[C@H](C)CCc2ccccc2)n1 ZINC000577626787 335381750 /nfs/dbraw/zinc/38/17/50/335381750.db2.gz SPFKRAPWRSAQNF-KGLIPLIRSA-N 0 1 287.407 3.640 20 0 CHADMN CC(C)c1nc([C@@H](C)NCc2cccc3ccoc32)n[nH]1 ZINC000577696183 335389661 /nfs/dbraw/zinc/38/96/61/335389661.db2.gz LNECISQKRSEGEP-LLVKDONJSA-N 0 1 284.363 3.525 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C ZINC000577732583 335393821 /nfs/dbraw/zinc/39/38/21/335393821.db2.gz KFYUKEMRWMTQRM-AAEUAGOBSA-N 0 1 291.439 3.786 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000577760498 335398431 /nfs/dbraw/zinc/39/84/31/335398431.db2.gz FOOMDRGSWTYQFT-MDZLAQPJSA-N 0 1 279.405 3.599 20 0 CHADMN Clc1cc2cccnc2c(CNCc2ccoc2)c1 ZINC000178319759 335425743 /nfs/dbraw/zinc/42/57/43/335425743.db2.gz FQDCKKVFABVTDO-UHFFFAOYSA-N 0 1 272.735 3.771 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000178590141 335439543 /nfs/dbraw/zinc/43/95/43/335439543.db2.gz PVMZPKSJKVFUOD-UWVGGRQHSA-N 0 1 295.789 3.933 20 0 CHADMN Cc1cncc([C@@H](C)NCc2cc3ccccc3o2)c1 ZINC000184293508 335922642 /nfs/dbraw/zinc/92/26/42/335922642.db2.gz KQSMJXHBAQZMTJ-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN CC[C@H](C)[C@H](CNCc1c(F)cccc1Cl)OC ZINC000381124772 336051083 /nfs/dbraw/zinc/05/10/83/336051083.db2.gz FXKSUSGQMHNFBQ-HZMBPMFUSA-N 0 1 273.779 3.630 20 0 CHADMN CCOCC[N@@H+](C)[C@@H](CC)c1ccc(Cl)cc1 ZINC000195736677 336059224 /nfs/dbraw/zinc/05/92/24/336059224.db2.gz VNCKFKHPAQPARM-AWEZNQCLSA-N 0 1 255.789 3.759 20 0 CHADMN Cc1ccsc1CNc1ccnc(C)c1Br ZINC000381395737 336061350 /nfs/dbraw/zinc/06/13/50/336061350.db2.gz ABWBZUZSAGWZJH-UHFFFAOYSA-N 0 1 297.221 3.556 20 0 CHADMN CCC[N@@H+](CC)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000581375124 336064269 /nfs/dbraw/zinc/06/42/69/336064269.db2.gz PNAQMVJYHSKPKH-LBPRGKRZSA-N 0 1 290.190 3.851 20 0 CHADMN COC(=O)c1cccc(CN2CC[C@@H](C)[C@@H](C)C2)c1Cl ZINC000381702756 336071201 /nfs/dbraw/zinc/07/12/01/336071201.db2.gz PBBZIHWPDMWMHW-NEPJUHHUSA-N 0 1 295.810 3.605 20 0 CHADMN CC[N@H+](Cc1cccc(C(=O)[O-])c1Cl)CC(C)C ZINC000382064266 336081169 /nfs/dbraw/zinc/08/11/69/336081169.db2.gz GQKGZEWVHXMUFU-UHFFFAOYSA-N 0 1 269.772 3.516 20 0 CHADMN C[C@H](C[N@@H+](Cc1ccc(C2CCC2)cc1)C1CC1)C(=O)[O-] ZINC000581494197 336089477 /nfs/dbraw/zinc/08/94/77/336089477.db2.gz ALGMHSNDCUIJRR-CYBMUJFWSA-N 0 1 287.403 3.639 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2cn3ccsc3n2)CC1 ZINC000581508029 336092059 /nfs/dbraw/zinc/09/20/59/336092059.db2.gz YNBOUUIKLXCUBP-CYBMUJFWSA-N 0 1 277.437 3.654 20 0 CHADMN COC(=O)c1ccc([C@H](C)N2CC=C(C(C)(C)C)CC2)o1 ZINC000382546993 336093198 /nfs/dbraw/zinc/09/31/98/336093198.db2.gz PKZJIFHSHZXPGJ-LBPRGKRZSA-N 0 1 291.391 3.805 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)[O-] ZINC000581547949 336100287 /nfs/dbraw/zinc/10/02/87/336100287.db2.gz HVVCSCPRXDGWBC-CZUORRHYSA-N 0 1 289.419 3.527 20 0 CHADMN Cc1cc(CN[C@H](Cc2ccncc2)c2cccs2)on1 ZINC000581602134 336109865 /nfs/dbraw/zinc/10/98/65/336109865.db2.gz FDOYBTOQXBTVHK-OAHLLOKOSA-N 0 1 299.399 3.513 20 0 CHADMN Cc1ccsc1C[N@H+](C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000383692728 336116466 /nfs/dbraw/zinc/11/64/66/336116466.db2.gz FNCUMGYPQWLMLV-JTQLQIEISA-N 0 1 279.361 3.541 20 0 CHADMN Fc1ccc(CN2CC[C@@H](c3ccncc3)C2)cc1Cl ZINC000581660509 336119553 /nfs/dbraw/zinc/11/95/53/336119553.db2.gz HPPVADPZWKMYGG-CQSZACIVSA-N 0 1 290.769 3.864 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H](c2ccco2)c2ccccc2)[C@@H](C)O1 ZINC000384859706 336132989 /nfs/dbraw/zinc/13/29/89/336132989.db2.gz GYAXDGQBDJDPHY-LNCBFAARSA-N 0 1 271.360 3.525 20 0 CHADMN C[C@@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1c(F)cccc1Cl ZINC000384880600 336133544 /nfs/dbraw/zinc/13/35/44/336133544.db2.gz JURANAMNWCQCGX-DNJQJEMRSA-N 0 1 271.763 3.696 20 0 CHADMN C[C@H](C1CC1)[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccccc1 ZINC000385194548 336141834 /nfs/dbraw/zinc/14/18/34/336141834.db2.gz OFNCAMBHJAQRMO-CYBMUJFWSA-N 0 1 299.370 3.779 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000581833191 336149801 /nfs/dbraw/zinc/14/98/01/336149801.db2.gz FXGWYDGQWQALST-ZDUSSCGKSA-N 0 1 285.391 3.659 20 0 CHADMN CC(C)CCN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000581838016 336150544 /nfs/dbraw/zinc/15/05/44/336150544.db2.gz SUEFDWQNKWHBBD-HNNXBMFYSA-N 0 1 267.800 3.759 20 0 CHADMN Cc1ccc(C)c([C@H]2CN(Cc3ccn(C)c3)[C@@H](C)CO2)c1 ZINC000353667733 533716146 /nfs/dbraw/zinc/71/61/46/533716146.db2.gz VMEVSHSFRGJUIK-QFBILLFUSA-N 0 1 298.430 3.604 20 0 CHADMN CCC[C@@](C)(O)CNCc1csc(-c2cccs2)n1 ZINC000264845095 520938223 /nfs/dbraw/zinc/93/82/23/520938223.db2.gz JTQTYWYULOTYOX-CQSZACIVSA-N 0 1 296.461 3.512 20 0 CHADMN CCOc1ncccc1CN[C@@H](CC)c1cccs1 ZINC000151191857 521620199 /nfs/dbraw/zinc/62/01/99/521620199.db2.gz BVSYTAATVYMIPG-ZDUSSCGKSA-N 0 1 276.405 3.783 20 0 CHADMN Cc1ccc(CC(=O)Nc2ccc3nc[nH]c3c2)c(Cl)c1 ZINC000354517095 533758445 /nfs/dbraw/zinc/75/84/45/533758445.db2.gz YWEHURPJJHAVTL-UHFFFAOYSA-N 0 1 299.761 3.706 20 0 CHADMN COc1ccc(F)c(CN2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000353554451 533901529 /nfs/dbraw/zinc/90/15/29/533901529.db2.gz KQVAKBILUHEJQK-INIZCTEOSA-N 0 1 275.367 3.599 20 0 CHADMN C[C@H](NCc1ccncc1)c1cc2cccc(F)c2o1 ZINC000353181033 533936404 /nfs/dbraw/zinc/93/64/04/533936404.db2.gz JFBCMYUZFQZGHY-NSHDSACASA-N 0 1 270.307 3.818 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)C2(C)C)nc1 ZINC000336563020 533942893 /nfs/dbraw/zinc/94/28/93/533942893.db2.gz OEOQSHGVHRQWJQ-GFCCVEGCSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1cn[nH]c1CN1CCc2c(Cl)cc(Cl)cc2C1 ZINC000356108569 533995822 /nfs/dbraw/zinc/99/58/22/533995822.db2.gz JLQRTUVKHXLKCV-UHFFFAOYSA-N 0 1 296.201 3.583 20 0 CHADMN C[C@H](N[C@H]1CCCc2c(O)cccc21)c1cncc(F)c1 ZINC000334603763 534002086 /nfs/dbraw/zinc/00/20/86/534002086.db2.gz AHZKKNVECZARIH-ZBEGNZNMSA-N 0 1 286.350 3.655 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccc3[nH]ccc3c2)c1 ZINC000353545293 534080932 /nfs/dbraw/zinc/08/09/32/534080932.db2.gz LMJLWKFEGHGRRA-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1CCCC[C@@H]1C ZINC000332643619 534128554 /nfs/dbraw/zinc/12/85/54/534128554.db2.gz MASMQNJIYOJBLE-GWCFXTLKSA-N 0 1 271.364 3.636 20 0 CHADMN C[C@@H]1CC[C@@H](C(=O)Nc2cc(Cl)c(O)cc2F)C1 ZINC000335955403 534135544 /nfs/dbraw/zinc/13/55/44/534135544.db2.gz KUNKTDYWYYPVKY-HTQZYQBOSA-N 0 1 271.719 3.559 20 0 CHADMN Cc1ccc(F)cc1CN1CCCc2occc2C1 ZINC000344237319 534157589 /nfs/dbraw/zinc/15/75/89/534157589.db2.gz NUBHCCRXCDDYHA-UHFFFAOYSA-N 0 1 259.324 3.676 20 0 CHADMN C[C@@H]1CC[C@@H]1N[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000353801693 534201459 /nfs/dbraw/zinc/20/14/59/534201459.db2.gz FWTVPZQMTIPZCQ-NVGVWMPQSA-N 0 1 288.341 3.837 20 0 CHADMN Cc1ccc(-c2ncc(CN3C[C@H]4CCC[C@@H]43)s2)o1 ZINC000353898762 534217044 /nfs/dbraw/zinc/21/70/44/534217044.db2.gz LGBCKINRXDAPGI-YPMHNXCESA-N 0 1 274.389 3.696 20 0 CHADMN C[C@@H]1CC[C@H]1N[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000353801485 534263502 /nfs/dbraw/zinc/26/35/02/534263502.db2.gz FWTVPZQMTIPZCQ-LQAWEQHXSA-N 0 1 288.341 3.837 20 0 CHADMN C[C@H](C(=O)Nc1cc(Cl)c(O)cc1F)c1ccsc1 ZINC000335957768 534296544 /nfs/dbraw/zinc/29/65/44/534296544.db2.gz SSYXFLUYMFOMSA-ZETCQYMHSA-N 0 1 299.754 3.988 20 0 CHADMN COC(=O)c1ccoc1CN1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000353223438 534300301 /nfs/dbraw/zinc/30/03/01/534300301.db2.gz AQSXWGCSYGLLFY-BBRMVZONSA-N 0 1 299.370 3.649 20 0 CHADMN C/C(=C/c1nc([C@@H](N)CC(C)C)no1)c1ccccc1 ZINC000339388098 518415856 /nfs/dbraw/zinc/41/58/56/518415856.db2.gz SURWSYVFFPRXLL-HCYCVZQXSA-N 0 1 271.364 3.676 20 0 CHADMN CC(C)(C)c1ncc(CNc2cc3c(cn2)CCC3)s1 ZINC000339553101 519114208 /nfs/dbraw/zinc/11/42/08/519114208.db2.gz DJMSCVFCTWXQAK-UHFFFAOYSA-N 0 1 287.432 3.936 20 0 CHADMN CC(C)(CO)[C@H](NCc1ccccc1F)c1cccs1 ZINC000289791234 519283219 /nfs/dbraw/zinc/28/32/19/519283219.db2.gz NGLSKHOXVWSVQY-OAHLLOKOSA-N 0 1 293.407 3.737 20 0 CHADMN C=Cn1cc(CN[C@]2(c3ccc(Cl)cc3)C[C@H]2C)cn1 ZINC000337257154 519326627 /nfs/dbraw/zinc/32/66/27/519326627.db2.gz NSYDVBAJMJMIAD-MLGOLLRUSA-N 0 1 287.794 3.662 20 0 CHADMN C=Cn1cc(CN[C@]2(c3ccc(Cl)cc3)C[C@@H]2C)cn1 ZINC000337257152 519326972 /nfs/dbraw/zinc/32/69/72/519326972.db2.gz NSYDVBAJMJMIAD-BLLLJJGKSA-N 0 1 287.794 3.662 20 0 CHADMN CC(C)C[C@H](N)c1noc(C(C)(C)c2ccccc2F)n1 ZINC000339389500 519373873 /nfs/dbraw/zinc/37/38/73/519373873.db2.gz CPRGCLNMWJYHHU-ZDUSSCGKSA-N 0 1 291.370 3.581 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H](C)Sc2ccccc2)n1 ZINC000339391158 519378161 /nfs/dbraw/zinc/37/81/61/519378161.db2.gz KZHIESHWLKGRON-YPMHNXCESA-N 0 1 291.420 3.969 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H](C)CC2CCCC2)n1 ZINC000339391191 519380664 /nfs/dbraw/zinc/38/06/64/519380664.db2.gz XLBJQCLDXCCZNI-YPMHNXCESA-N 0 1 265.401 3.799 20 0 CHADMN FC1(F)CC[C@H](c2noc(-c3cc4cccnc4[nH]3)n2)C1 ZINC000333633474 534424295 /nfs/dbraw/zinc/42/42/95/534424295.db2.gz BFBPDLSVFDTIFB-VIFPVBQESA-N 0 1 290.273 3.516 20 0 CHADMN CC(C)=CCC[C@@H](C)NCc1nccc(C(F)F)n1 ZINC000287002871 519420736 /nfs/dbraw/zinc/42/07/36/519420736.db2.gz KDRMPCGQGSWUSG-LLVKDONJSA-N 0 1 269.339 3.639 20 0 CHADMN CC(C)CCC[C@H](C)[N@@H+](CCC(C)C)CC(=O)[O-] ZINC000236705265 519646248 /nfs/dbraw/zinc/64/62/48/519646248.db2.gz WLOKXENRBWEFKD-AWEZNQCLSA-N 0 1 257.418 3.634 20 0 CHADMN Fc1cc(Cl)cc(CNCc2ccsc2)c1 ZINC000168259579 534442399 /nfs/dbraw/zinc/44/23/99/534442399.db2.gz ZONQTVYUSJTHAB-UHFFFAOYSA-N 0 1 255.745 3.830 20 0 CHADMN CC(C)CCN1Cc2cccc(NC(=O)c3ccco3)c2C1 ZINC000076171363 519654336 /nfs/dbraw/zinc/65/43/36/519654336.db2.gz RWQXUWXGMWFGGZ-UHFFFAOYSA-N 0 1 298.386 3.894 20 0 CHADMN Fc1cc(Cl)cc(CN[C@@H]2COCc3ccccc32)c1 ZINC000418106009 534443182 /nfs/dbraw/zinc/44/31/82/534443182.db2.gz MIMQDDCVZSLGOR-MRXNPFEDSA-N 0 1 291.753 3.840 20 0 CHADMN CC(C)C[C@@H](C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000286644512 519770766 /nfs/dbraw/zinc/77/07/66/519770766.db2.gz FGYOGJHLWVYZLF-MRVPVSSYSA-N 0 1 273.735 3.805 20 0 CHADMN CC(C)Oc1ccc(CN[C@@H](C)c2cn[nH]c2)cc1Cl ZINC000275235422 519779930 /nfs/dbraw/zinc/77/99/30/519779930.db2.gz WKORPHLRNMGWQF-NSHDSACASA-N 0 1 293.798 3.701 20 0 CHADMN CC(C)[C@@H](C)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000268734666 519792487 /nfs/dbraw/zinc/79/24/87/519792487.db2.gz DCCBHGQCSSPBAJ-DOMZBBRYSA-N 0 1 291.826 3.797 20 0 CHADMN CC(C)[C@@H](NCc1cc[nH]n1)c1ccc(Cl)cc1 ZINC000036975547 519799210 /nfs/dbraw/zinc/79/92/10/519799210.db2.gz MGXYXUKBRPNPEN-CQSZACIVSA-N 0 1 263.772 3.550 20 0 CHADMN CC(C)[C@H](NCc1cn2ccsc2n1)c1ccccc1 ZINC000299433658 519821074 /nfs/dbraw/zinc/82/10/74/519821074.db2.gz FUCBZOYZQJPZPZ-HNNXBMFYSA-N 0 1 285.416 3.883 20 0 CHADMN CC(C)[C@H](NCc1ncccc1N(C)C)c1ccccc1 ZINC000289785054 519821170 /nfs/dbraw/zinc/82/11/70/519821170.db2.gz MYHIVIXPQNGQRO-SFHVURJKSA-N 0 1 283.419 3.635 20 0 CHADMN CCC1(NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000297863244 519845481 /nfs/dbraw/zinc/84/54/81/519845481.db2.gz ULKHLFIRJTXHIT-UHFFFAOYSA-N 0 1 294.305 3.565 20 0 CHADMN CC(C)c1nc(CN[C@H](C)c2cc3ccccc3o2)n[nH]1 ZINC000292969657 519864256 /nfs/dbraw/zinc/86/42/56/519864256.db2.gz WOMWJZJQTJNVCF-LLVKDONJSA-N 0 1 284.363 3.525 20 0 CHADMN CC(C)c1nc([C@H](C)NCc2ccc(Cl)cc2F)n[nH]1 ZINC000275651259 519867601 /nfs/dbraw/zinc/86/76/01/519867601.db2.gz UEFICHYPHNWJSY-VIFPVBQESA-N 0 1 296.777 3.571 20 0 CHADMN CC(C)n1ccnc1CN(C)C[C@@H](C)c1ccccc1 ZINC000263891771 520024179 /nfs/dbraw/zinc/02/41/79/520024179.db2.gz TXJWVWGDEVCBNQ-OAHLLOKOSA-N 0 1 271.408 3.700 20 0 CHADMN Cc1ccc2cc(C(=O)Nc3ccc4nc[nH]c4c3)[nH]c2c1 ZINC000352619905 534467499 /nfs/dbraw/zinc/46/74/99/534467499.db2.gz XTYMDOBQYIKOLI-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN CC(C)n1nccc1CN[C@H]1CCSc2ccccc21 ZINC000279977767 520113299 /nfs/dbraw/zinc/11/32/99/520113299.db2.gz QGENENHNMYDTDX-HNNXBMFYSA-N 0 1 287.432 3.791 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1ncnn1-c1ccccc1 ZINC000337158848 520315783 /nfs/dbraw/zinc/31/57/83/520315783.db2.gz RHAXMRJIFSMKHW-INIZCTEOSA-N 0 1 298.434 3.812 20 0 CHADMN CC1(C)CCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000076012936 520380924 /nfs/dbraw/zinc/38/09/24/520380924.db2.gz TUQSROAUCRXRCR-UHFFFAOYSA-N 0 1 256.349 3.574 20 0 CHADMN CCCOc1cccc(CN[C@@H](C)c2ccccn2)c1 ZINC000037996732 520456113 /nfs/dbraw/zinc/45/61/13/520456113.db2.gz XPWQIMQXKZOIEJ-AWEZNQCLSA-N 0 1 270.376 3.721 20 0 CHADMN Fc1ccc([C@H](N[C@H]2CC[C@H](F)C2)c2ccccn2)cc1 ZINC000348436406 534497559 /nfs/dbraw/zinc/49/75/59/534497559.db2.gz XCPDJFGTRBNZOT-ZOBUZTSGSA-N 0 1 288.341 3.790 20 0 CHADMN CC1(C)C[C@H]1NCc1csc(COc2ccccc2)n1 ZINC000264937950 520571301 /nfs/dbraw/zinc/57/13/01/520571301.db2.gz DYFOCMUIHIWACN-CQSZACIVSA-N 0 1 288.416 3.610 20 0 CHADMN CCOc1cc(CN2CCC(F)(F)[C@@H](C)C2)ccc1OC ZINC000291662810 520696556 /nfs/dbraw/zinc/69/65/56/520696556.db2.gz VMWOYUUGZJMPDI-LBPRGKRZSA-N 0 1 299.361 3.571 20 0 CHADMN CC1=CC[C@@H](N[C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000294566477 520874949 /nfs/dbraw/zinc/87/49/49/520874949.db2.gz GDSZBUPMGBKPQV-GOEBONIOSA-N 0 1 297.402 3.810 20 0 CHADMN CCCCOc1ccc(CNCc2ccco2)cc1OC ZINC000032144449 520880801 /nfs/dbraw/zinc/88/08/01/520880801.db2.gz GMLIHTTXHNMAID-UHFFFAOYSA-N 0 1 289.375 3.757 20 0 CHADMN c1csc(CNC2(c3ccccc3)CCCC2)n1 ZINC000113958251 534523070 /nfs/dbraw/zinc/52/30/70/534523070.db2.gz UBWJELONGIMIPY-UHFFFAOYSA-N 0 1 258.390 3.702 20 0 CHADMN CCCC[C@@H](C)N(C)C(=O)c1c[nH]c2ccccc2c1=O ZINC000291390135 521002112 /nfs/dbraw/zinc/00/21/12/521002112.db2.gz XLAMERZPWMUCNV-GFCCVEGCSA-N 0 1 286.375 3.591 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccc(Cl)cn2)cc1 ZINC000274748552 521009364 /nfs/dbraw/zinc/00/93/64/521009364.db2.gz BFTXRAUGTNSAKM-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN Fc1cnccc1CN[C@H]1CCc2cc(Cl)ccc21 ZINC000336214463 534539965 /nfs/dbraw/zinc/53/99/65/534539965.db2.gz URZGTWKJLJZDSK-HNNXBMFYSA-N 0 1 276.742 3.651 20 0 CHADMN CCC[C@H](NCc1ccc2c(n1)CCCC2)c1cccnc1 ZINC000278170600 521164415 /nfs/dbraw/zinc/16/44/15/521164415.db2.gz AZUNVALWPGMWDC-SFHVURJKSA-N 0 1 295.430 3.986 20 0 CHADMN c1sc([C@H]2CN3CCC[C@@H]3CO2)nc1C1CCCCC1 ZINC000336632103 534545969 /nfs/dbraw/zinc/54/59/69/534545969.db2.gz HNXASRLBTIUUPQ-UKRRQHHQSA-N 0 1 292.448 3.727 20 0 CHADMN CCN(Cc1cc(O)cc(F)c1)[C@@H](C)c1cccnc1 ZINC000290375648 521292202 /nfs/dbraw/zinc/29/22/02/521292202.db2.gz HUDVCWIRBVZISS-LBPRGKRZSA-N 0 1 274.339 3.509 20 0 CHADMN CCN(Cc1cc(O)cc(F)c1)[C@H](C)c1cccnc1 ZINC000290375646 521293256 /nfs/dbraw/zinc/29/32/56/521293256.db2.gz HUDVCWIRBVZISS-GFCCVEGCSA-N 0 1 274.339 3.509 20 0 CHADMN CCCc1cccc(CN[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000274847642 521431078 /nfs/dbraw/zinc/43/10/78/521431078.db2.gz XKNHUZDUGAWPCZ-CYBMUJFWSA-N 0 1 286.423 3.731 20 0 CHADMN CCOc1ccccc1CN[C@H](C)c1ccccc1OC ZINC000020096587 521504638 /nfs/dbraw/zinc/50/46/38/521504638.db2.gz HZPTVMWYBIJWGC-CQSZACIVSA-N 0 1 285.387 3.945 20 0 CHADMN CCC(CC)N(CC)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000292036207 521549460 /nfs/dbraw/zinc/54/94/60/521549460.db2.gz DVYSLOONAHDFMI-UHFFFAOYSA-N 0 1 285.391 3.727 20 0 CHADMN CCC[N@H+](CC(=O)[O-])CC1CCC(c2ccccc2)CC1 ZINC000263561410 521559770 /nfs/dbraw/zinc/55/97/70/521559770.db2.gz CAACYNWPWFEGPT-UHFFFAOYSA-N 0 1 289.419 3.757 20 0 CHADMN CCOc1ncccc1CN[C@@H]1CCc2ccc(C)cc21 ZINC000151207334 521621423 /nfs/dbraw/zinc/62/14/23/521621423.db2.gz SBZFLBBQMWTZJB-QGZVFWFLSA-N 0 1 282.387 3.566 20 0 CHADMN CCCN(Cc1cc(C)ncn1)[C@H](C)c1ccccc1OC ZINC000292135908 521680984 /nfs/dbraw/zinc/68/09/84/521680984.db2.gz HJRVJBXIRGSCJS-OAHLLOKOSA-N 0 1 299.418 3.767 20 0 CHADMN CCCN(Cc1csc(C)n1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000340853397 521692843 /nfs/dbraw/zinc/69/28/43/521692843.db2.gz VSFPPZUYXJHMEH-LSDHHAIUSA-N 0 1 296.480 3.867 20 0 CHADMN CCSCCN(Cc1ccccc1F)C1CC1 ZINC000340757907 521706420 /nfs/dbraw/zinc/70/64/20/521706420.db2.gz FQDVJVQTGFIPSB-UHFFFAOYSA-N 0 1 253.386 3.543 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1nc2ccccc2n1C ZINC000072901081 521711777 /nfs/dbraw/zinc/71/17/77/521711777.db2.gz FZLWYYRNBLKBTK-CYBMUJFWSA-N 0 1 291.464 3.537 20 0 CHADMN CCS[C@@H]1CC[C@H](N(C)Cc2ncc(C3CC3)o2)C1 ZINC000340689909 521727900 /nfs/dbraw/zinc/72/79/00/521727900.db2.gz BRNTUSSNVFHSCW-QWHCGFSZSA-N 0 1 280.437 3.658 20 0 CHADMN CCSc1cccc(CN2CC=C(COC)CC2)c1 ZINC000274979022 521755514 /nfs/dbraw/zinc/75/55/14/521755514.db2.gz XGANLLHOLAUEHJ-UHFFFAOYSA-N 0 1 277.433 3.577 20 0 CHADMN COc1c(C)cc(CN(C)Cc2ccc(C)cn2)cc1C ZINC000158042650 521792597 /nfs/dbraw/zinc/79/25/97/521792597.db2.gz LLQINAQOUVKBCF-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN CCc1ccccc1CN[C@@H](CCOC)c1ccco1 ZINC000275580570 521843585 /nfs/dbraw/zinc/84/35/85/521843585.db2.gz HWUAJMJXXBBPQC-INIZCTEOSA-N 0 1 273.376 3.709 20 0 CHADMN COCC[C@H](N[C@H]1CCCc2occc21)c1ccc(C)o1 ZINC000278397524 521976524 /nfs/dbraw/zinc/97/65/24/521976524.db2.gz FHBVLAQYESHORQ-GJZGRUSLSA-N 0 1 289.375 3.926 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2ccc(C)c(C)c2)n[nH]1 ZINC000276768323 522051702 /nfs/dbraw/zinc/05/17/02/522051702.db2.gz AYSFTJDZGMYHRH-FZMZJTMJSA-N 0 1 286.423 3.786 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2ccc(C)o2)n[nH]1 ZINC000277072981 522052615 /nfs/dbraw/zinc/05/26/15/522052615.db2.gz FBOLZQCTBYNJMV-MVWJERBFSA-N 0 1 276.384 3.631 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2ccc(Cl)cc2)n[nH]1 ZINC000277438269 522054400 /nfs/dbraw/zinc/05/44/00/522054400.db2.gz ODNQNVGNRVAPFV-WDEREUQCSA-N 0 1 292.814 3.822 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@H]2CCCc3occc32)n[nH]1 ZINC000278812706 522057345 /nfs/dbraw/zinc/05/73/45/522057345.db2.gz RZOLHXDVVLTTLT-GVXVVHGQSA-N 0 1 288.395 3.639 20 0 CHADMN CCc1nc(C)c(CNCc2ccc(C(C)C)cc2)o1 ZINC000291660504 522206881 /nfs/dbraw/zinc/20/68/81/522206881.db2.gz DYKSRQKDUUUJDO-UHFFFAOYSA-N 0 1 272.392 3.959 20 0 CHADMN COc1cc(C)cc(CN[C@@H](C)c2ccc(Cl)cn2)c1 ZINC000274964392 522243271 /nfs/dbraw/zinc/24/32/71/522243271.db2.gz XBGVYTFVCAPQGP-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CN(C)c1cccc(CNCc2sccc2Cl)c1 ZINC000278290429 522275110 /nfs/dbraw/zinc/27/51/10/522275110.db2.gz BJUQCMLPKFIWSB-UHFFFAOYSA-N 0 1 280.824 3.757 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1ncnn1-c1ccccc1)C1CC1 ZINC000337142810 522287491 /nfs/dbraw/zinc/28/74/91/522287491.db2.gz UNPOCFPEMVVYLV-HUUCEWRRSA-N 0 1 298.434 3.666 20 0 CHADMN CCc1nc(CN[C@H]2C[C@H](OCC(C)C)C2(C)C)cs1 ZINC000336890692 522358883 /nfs/dbraw/zinc/35/88/83/522358883.db2.gz OBCVZCMDMLIJFP-KBPBESRZSA-N 0 1 296.480 3.635 20 0 CHADMN CC[C@@H](C)[C@H](C)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000128329662 522361982 /nfs/dbraw/zinc/36/19/82/522361982.db2.gz CHQIMZVXBALPCF-WWGRRREGSA-N 0 1 289.398 3.673 20 0 CHADMN COC[C@@H](NCc1ccsc1)c1ccc(Cl)cc1 ZINC000193276488 522368941 /nfs/dbraw/zinc/36/89/41/522368941.db2.gz QLVVNTBEFMFFGI-CQSZACIVSA-N 0 1 281.808 3.879 20 0 CHADMN COC(=O)c1coc(CN[C@@H]2CCCc3ccc(C)cc32)c1 ZINC000292759267 522369503 /nfs/dbraw/zinc/36/95/03/522369503.db2.gz JHUKSUNYMRCKBW-QGZVFWFLSA-N 0 1 299.370 3.542 20 0 CHADMN COC[C@@H](N[C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000291133367 522373490 /nfs/dbraw/zinc/37/34/90/522373490.db2.gz GZEBWNUGBBLQDV-RTBURBONSA-N 0 1 297.398 3.747 20 0 CHADMN COC(=O)c1coc([C@@H](C)N[C@@H]2CCc3cc(C)ccc32)c1 ZINC000278375186 522374987 /nfs/dbraw/zinc/37/49/87/522374987.db2.gz CNPRAAQDMRKBTC-MLGOLLRUSA-N 0 1 299.370 3.713 20 0 CHADMN CCc1nc([C@@H](C)NC2CC(OC(C)(C)C)C2)cs1 ZINC000156473173 522417708 /nfs/dbraw/zinc/41/77/08/522417708.db2.gz VGUOLKUPXJCWPV-VOMCLLRMSA-N 0 1 282.453 3.702 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCC=Cc2ccccc2)n[nH]1 ZINC000277388728 522438094 /nfs/dbraw/zinc/43/80/94/522438094.db2.gz JIZMKICFRRCXAP-DVFZLIDBSA-N 0 1 284.407 3.682 20 0 CHADMN Cc1nc2c(s1)[C@H](NCc1ccc(C)c(C)n1)CCC2 ZINC000334718314 534636112 /nfs/dbraw/zinc/63/61/12/534636112.db2.gz KECHPIYTCDNTRI-CQSZACIVSA-N 0 1 287.432 3.631 20 0 CHADMN CCc1nc([C@H](C)N[C@@H]2C[C@@H]2c2ccccc2)cs1 ZINC000278683395 522455025 /nfs/dbraw/zinc/45/50/25/522455025.db2.gz RTUOAXJAHSYRNI-IACUBPJLSA-N 0 1 272.417 3.912 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1ncc(C)cn1 ZINC000340839995 522623554 /nfs/dbraw/zinc/62/35/54/522623554.db2.gz BJQJYRUUANPGJW-KRWDZBQOSA-N 0 1 283.419 3.547 20 0 CHADMN CC[C@H](NCc1n[nH]c(C(C)C)n1)c1ccc(Cl)cc1 ZINC000293118176 522667143 /nfs/dbraw/zinc/66/71/43/522667143.db2.gz KGVDVNGFWWYGEL-ZDUSSCGKSA-N 0 1 292.814 3.822 20 0 CHADMN CC[C@H](NCc1ncccc1N(C)C)c1ccc(F)cc1 ZINC000289630135 522672090 /nfs/dbraw/zinc/67/20/90/522672090.db2.gz FDLMDZKPXTVMCZ-HNNXBMFYSA-N 0 1 287.382 3.528 20 0 CHADMN C[N@@H+](CCCCC(=O)[O-])Cc1cccc(Cl)c1Cl ZINC000262293019 522726249 /nfs/dbraw/zinc/72/62/49/522726249.db2.gz YBWZLXGYEUSAPD-UHFFFAOYSA-N 0 1 290.190 3.680 20 0 CHADMN COC[C@H](N[C@@H](c1ccc(C)cc1)c1ccccn1)C(C)C ZINC000279959605 522761667 /nfs/dbraw/zinc/76/16/67/522761667.db2.gz CGKMUNLCMJWAIS-OALUTQOASA-N 0 1 298.430 3.740 20 0 CHADMN COCC(C)(C)N(C)Cc1nc(-c2ccccc2)oc1C ZINC000292060653 522812519 /nfs/dbraw/zinc/81/25/19/522812519.db2.gz CLYUWJQJPBZRLX-UHFFFAOYSA-N 0 1 288.391 3.507 20 0 CHADMN CC[C@@H](NCc1cnn(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000041159249 522893195 /nfs/dbraw/zinc/89/31/95/522893195.db2.gz HJOANIBZIVAJQR-CQSZACIVSA-N 0 1 298.217 3.968 20 0 CHADMN CC[C@@H](NCc1noc(-c2ccccc2C)n1)C(C)C ZINC000276805887 522897450 /nfs/dbraw/zinc/89/74/50/522897450.db2.gz WPUQMUVKQYXGPT-CQSZACIVSA-N 0 1 273.380 3.569 20 0 CHADMN CN(CCSC1CCCCC1)Cc1ccoc1 ZINC000337331578 522926328 /nfs/dbraw/zinc/92/63/28/522926328.db2.gz ICJGFYXMMILKJP-UHFFFAOYSA-N 0 1 253.411 3.777 20 0 CHADMN CCc1nocc1CN(C)[C@H]1CCCc2ccccc21 ZINC000293537356 522933304 /nfs/dbraw/zinc/93/33/04/522933304.db2.gz XPSQKKFNBRBQRJ-KRWDZBQOSA-N 0 1 270.376 3.746 20 0 CHADMN COc1cc([C@H](C)NCc2ccco2)ccc1OC(C)C ZINC000069674814 522944415 /nfs/dbraw/zinc/94/44/15/522944415.db2.gz ZDAMTIDQUHDQCN-ZDUSSCGKSA-N 0 1 289.375 3.926 20 0 CHADMN CCc1nocc1CNCc1cccc(-c2ccccn2)c1 ZINC000339314960 522949597 /nfs/dbraw/zinc/94/95/97/522949597.db2.gz GDFVTUUHCJWFKU-UHFFFAOYSA-N 0 1 293.370 3.589 20 0 CHADMN CCc1nocc1CNCc1csc2ccccc12 ZINC000339189908 522953557 /nfs/dbraw/zinc/95/35/57/522953557.db2.gz PGTNAZWBKXEYMS-UHFFFAOYSA-N 0 1 272.373 3.742 20 0 CHADMN COCc1ccc(CN(C)[C@@H](C)c2ccco2)cc1 ZINC000131068398 522969278 /nfs/dbraw/zinc/96/92/78/522969278.db2.gz YMAXRJJCGABIAV-ZDUSSCGKSA-N 0 1 259.349 3.619 20 0 CHADMN COCc1ccc(CN(C)Cc2ccc(Cl)nc2)cc1 ZINC000125727100 522969871 /nfs/dbraw/zinc/96/98/71/522969871.db2.gz OCNRSLOXZLLPAQ-UHFFFAOYSA-N 0 1 290.794 3.513 20 0 CHADMN COCc1ccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)cc1 ZINC000078543882 522987638 /nfs/dbraw/zinc/98/76/38/522987638.db2.gz MLATXROJZUDLQR-CXAGYDPISA-N 0 1 285.387 3.839 20 0 CHADMN COCc1ccc([C@H]2CCCN2Cc2ccc(F)cc2)o1 ZINC000130760442 523021314 /nfs/dbraw/zinc/02/13/14/523021314.db2.gz OLXBJJFAOHJFHV-MRXNPFEDSA-N 0 1 289.350 3.902 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1ccc(OC)c(F)c1 ZINC000130298919 523121648 /nfs/dbraw/zinc/12/16/48/523121648.db2.gz BCJJUVHKLBSDSO-INIZCTEOSA-N 0 1 288.366 3.812 20 0 CHADMN CC[C@@H]1CCN(Cc2csc(-c3ccoc3)n2)C1 ZINC000125689348 523333368 /nfs/dbraw/zinc/33/33/68/523333368.db2.gz WPQRQWXEPJHPOI-LLVKDONJSA-N 0 1 262.378 3.635 20 0 CHADMN CC[C@H]1COCCN1Cc1csc2ccccc12 ZINC000115575012 523335379 /nfs/dbraw/zinc/33/53/79/523335379.db2.gz PEUOBGKFQIVHDD-ZDUSSCGKSA-N 0 1 261.390 3.512 20 0 CHADMN Cc1cccc(CN(C)[C@H](C)c2ccc(F)cc2)n1 ZINC000347360347 534703322 /nfs/dbraw/zinc/70/33/22/534703322.db2.gz JTGBORAILSAHMM-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN CN(Cc1ccccn1)[C@@H]1CCc2c1cccc2Cl ZINC000275721868 523397721 /nfs/dbraw/zinc/39/77/21/523397721.db2.gz SOPZRQHYGUUTRT-MRXNPFEDSA-N 0 1 272.779 3.854 20 0 CHADMN CC[C@H]1C[C@]1(NCc1cnc(C)nc1)c1cccc(C)c1 ZINC000337303201 523405957 /nfs/dbraw/zinc/40/59/57/523405957.db2.gz QIPDJGCSNWQSAG-FUHWJXTLSA-N 0 1 281.403 3.508 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1Cc1ccnn1C(C)C ZINC000337200258 523407680 /nfs/dbraw/zinc/40/76/80/523407680.db2.gz FDAISSJRXGBGFV-KRWDZBQOSA-N 0 1 283.419 3.801 20 0 CHADMN CN(Cc1cccnc1)[C@H]1CCc2c1cccc2Cl ZINC000132266296 523417103 /nfs/dbraw/zinc/41/71/03/523417103.db2.gz AVACDHQCVWTPDQ-INIZCTEOSA-N 0 1 272.779 3.854 20 0 CHADMN CCn1cc([C@H](C)NCc2ccc(C(F)(F)F)cc2)cn1 ZINC000061626472 523472724 /nfs/dbraw/zinc/47/27/24/523472724.db2.gz VJRIGLQFGPTGDD-NSHDSACASA-N 0 1 297.324 3.773 20 0 CHADMN CCn1cc([C@H](C)N[C@@H](C)c2ccc(Cl)cc2)cn1 ZINC000044494942 523475751 /nfs/dbraw/zinc/47/57/51/523475751.db2.gz GMFHLVQCFRCJRA-RYUDHWBXSA-N 0 1 277.799 3.968 20 0 CHADMN CN(Cc1nc(-c2ccccc2)cs1)[C@@H]1CCSC1 ZINC000130553815 523547323 /nfs/dbraw/zinc/54/73/23/523547323.db2.gz FCENRRRYUQZSSI-CYBMUJFWSA-N 0 1 290.457 3.747 20 0 CHADMN CO[C@H](CNCc1csc(C)n1)c1ccc(Cl)cc1 ZINC000266176884 523951086 /nfs/dbraw/zinc/95/10/86/523951086.db2.gz UAJCHMXXWSOIHW-CQSZACIVSA-N 0 1 296.823 3.582 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cc(OC)cc(C)n2)cc1 ZINC000213464045 524024903 /nfs/dbraw/zinc/02/49/03/524024903.db2.gz MTUIWCTWGKGWBB-CQSZACIVSA-N 0 1 284.403 3.812 20 0 CHADMN COc1ccc(CN2CCC(c3ccsc3)CC2)nc1 ZINC000274961278 524025313 /nfs/dbraw/zinc/02/53/13/524025313.db2.gz GLXXNUDMVHRPEI-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H]2CCc3c2cccc3O)o1 ZINC000130688993 524046954 /nfs/dbraw/zinc/04/69/54/524046954.db2.gz LOCAUURGFXJHEW-XHDPSFHLSA-N 0 1 271.360 3.886 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)o1 ZINC000277188929 524047756 /nfs/dbraw/zinc/04/77/56/524047756.db2.gz IMJTXZDWISKFOC-SDDRHHMPSA-N 0 1 290.411 3.885 20 0 CHADMN CCc1ccc([C@H]2CCN(Cc3ncc(C)o3)C2)cc1 ZINC000293293381 524055505 /nfs/dbraw/zinc/05/55/05/524055505.db2.gz KIPBYNQFLVXHNH-INIZCTEOSA-N 0 1 270.376 3.535 20 0 CHADMN CCc1ccc([C@H]2CCN(Cc3cc(C)on3)C2)cc1 ZINC000293226171 524055560 /nfs/dbraw/zinc/05/55/60/524055560.db2.gz GZSZBRJONYBXQD-INIZCTEOSA-N 0 1 270.376 3.535 20 0 CHADMN COc1ccc(CNC2(c3ccccc3F)CC2)cc1 ZINC000130527204 524069011 /nfs/dbraw/zinc/06/90/11/524069011.db2.gz WIYSVMHYYFQKIX-UHFFFAOYSA-N 0 1 271.335 3.613 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccccc2Cl)cn1 ZINC000020186149 524083673 /nfs/dbraw/zinc/08/36/73/524083673.db2.gz QMXDINBUYXAIKN-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN Cc1ccc2oc(-c3nc([C@@H](N)CC(C)C)no3)cc2c1 ZINC000339396621 524086966 /nfs/dbraw/zinc/08/69/66/524086966.db2.gz YCAQVJZWENZQRG-LBPRGKRZSA-N 0 1 285.347 3.837 20 0 CHADMN COc1cccc([C@@H]2CCCN2Cc2cnc(C)s2)c1 ZINC000098132205 524118635 /nfs/dbraw/zinc/11/86/35/524118635.db2.gz IRONDQGYFVBAIJ-INIZCTEOSA-N 0 1 288.416 3.797 20 0 CHADMN C[C@H]1CCC[C@H](CC(=O)Nc2ccccc2-c2nnc[nH]2)C1 ZINC000364816606 524193154 /nfs/dbraw/zinc/19/31/54/524193154.db2.gz WZUWZYJPZXKUEV-STQMWFEESA-N 0 1 298.390 3.627 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN[C@H](C)c1cn[nH]c1 ZINC000276261747 524202810 /nfs/dbraw/zinc/20/28/10/524202810.db2.gz YCRUTEORFVQPGI-SNVBAGLBSA-N 0 1 283.297 3.588 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN[C@H](C)c1cnn(C)c1 ZINC000190998301 524202868 /nfs/dbraw/zinc/20/28/68/524202868.db2.gz GQDKREMRUSGGPU-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN[C@@H](C)c1cn[nH]c1 ZINC000276261742 524202949 /nfs/dbraw/zinc/20/29/49/524202949.db2.gz YCRUTEORFVQPGI-JTQLQIEISA-N 0 1 283.297 3.588 20 0 CHADMN Cc1cc(C)c(C[N@H+]2CCC[C@@H](CC(=O)[O-])CC2)c(C)c1 ZINC000299746064 524261789 /nfs/dbraw/zinc/26/17/89/524261789.db2.gz VBHSUQDPQMGZHW-MRXNPFEDSA-N 0 1 289.419 3.689 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000042707133 524298343 /nfs/dbraw/zinc/29/83/43/524298343.db2.gz YIYQLTFPUKNPRR-CQSZACIVSA-N 0 1 283.371 3.506 20 0 CHADMN C[C@@H](CC(=O)Nc1cccc(Cl)c1O)c1cccnc1 ZINC000340320540 524386458 /nfs/dbraw/zinc/38/64/58/524386458.db2.gz VERGJFSJWKCHOD-JTQLQIEISA-N 0 1 290.750 3.573 20 0 CHADMN Cc1ccc(CN(C)CCO[C@H]2CCCC[C@H]2C)o1 ZINC000338404466 524392594 /nfs/dbraw/zinc/39/25/94/524392594.db2.gz BZOZSRXBBZQOBW-CJNGLKHVSA-N 0 1 265.397 3.615 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(Cl)nc2)s1 ZINC000076342401 524394352 /nfs/dbraw/zinc/39/43/52/524394352.db2.gz KHXJKBWFLYXZMB-UHFFFAOYSA-N 0 1 266.797 3.737 20 0 CHADMN Cc1ccc(CN(CCO)Cc2ccc(C)c(Cl)c2)o1 ZINC000355658278 524410791 /nfs/dbraw/zinc/41/07/91/524410791.db2.gz PDPPRKMCSZGAPV-UHFFFAOYSA-N 0 1 293.794 3.544 20 0 CHADMN Cc1ccc(CN(Cc2ccco2)C2CCCC2)cn1 ZINC000153739887 524420197 /nfs/dbraw/zinc/42/01/97/524420197.db2.gz HRQDBBDZWMPTMT-UHFFFAOYSA-N 0 1 270.376 3.928 20 0 CHADMN Cc1ccc(CNCc2cccn2C)c(OC(C)(C)C)c1 ZINC000084958698 524586611 /nfs/dbraw/zinc/58/66/11/524586611.db2.gz CAVKSTXHOFECKK-UHFFFAOYSA-N 0 1 286.419 3.801 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccccc2OC(F)F)cn1 ZINC000062050920 524592786 /nfs/dbraw/zinc/59/27/86/524592786.db2.gz UKVUGHIQHSUQIP-LBPRGKRZSA-N 0 1 292.329 3.842 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccccc2OC(F)F)cn1 ZINC000062050921 524604778 /nfs/dbraw/zinc/60/47/78/524604778.db2.gz UKVUGHIQHSUQIP-GFCCVEGCSA-N 0 1 292.329 3.842 20 0 CHADMN Cc1cc(CN[C@@H](c2nccn2C)C2CC2)ccc1Cl ZINC000129179374 524767940 /nfs/dbraw/zinc/76/79/40/524767940.db2.gz QZYNBFLTJOKWFY-OAHLLOKOSA-N 0 1 289.810 3.623 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2C)C(C)(C)C)ncn1 ZINC000293344949 524768890 /nfs/dbraw/zinc/76/88/90/524768890.db2.gz XOLVDWHTPGEWLK-KRWDZBQOSA-N 0 1 283.419 3.970 20 0 CHADMN Cc1cccc([C@@H](NCc2cc(C)ncn2)C(C)(C)C)c1 ZINC000293382639 524838715 /nfs/dbraw/zinc/83/87/15/524838715.db2.gz ZWLCUBXVMOJHMD-QGZVFWFLSA-N 0 1 283.419 3.970 20 0 CHADMN COc1ccncc1CN[C@@H](c1ccccc1)C(C)C ZINC000340403213 524858631 /nfs/dbraw/zinc/85/86/31/524858631.db2.gz AFSPJTDCOHMRRO-QGZVFWFLSA-N 0 1 270.376 3.577 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(F)cc2)o1 ZINC000019943505 524860803 /nfs/dbraw/zinc/86/08/03/524860803.db2.gz DPILMCNBWPUGPU-NHYWBVRUSA-N 0 1 259.324 3.832 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNCc2cccc(N(C)C)c2)o1 ZINC000105434692 524861554 /nfs/dbraw/zinc/86/15/54/524861554.db2.gz HDCAEYSABMECIL-GUYCJALGSA-N 0 1 284.403 3.759 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNc2cc3c(cn2)CCC3)o1 ZINC000339556819 524862755 /nfs/dbraw/zinc/86/27/55/524862755.db2.gz PDOZDAQSTLJTSP-NHYWBVRUSA-N 0 1 268.360 3.899 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2coc(-c3cccs3)n2)C1 ZINC000061757821 524883740 /nfs/dbraw/zinc/88/37/40/524883740.db2.gz ZVVGEADSQFKTHB-RYUDHWBXSA-N 0 1 276.405 3.881 20 0 CHADMN Cc1cc(F)ccc1CN[C@H]1CCOc2ccccc21 ZINC000050575780 524980661 /nfs/dbraw/zinc/98/06/61/524980661.db2.gz WGDGUPVPUWIBBP-INIZCTEOSA-N 0 1 271.335 3.748 20 0 CHADMN COc1ncc(CN(C)Cc2ccc(C(C)C)cc2)c(C)n1 ZINC000337143956 525004549 /nfs/dbraw/zinc/00/45/49/525004549.db2.gz ZCRCDUSZQPMVNE-UHFFFAOYSA-N 0 1 299.418 3.549 20 0 CHADMN COc1ncccc1CN[C@H]1CC[C@@H](C)c2ccccc21 ZINC000126527919 525061904 /nfs/dbraw/zinc/06/19/04/525061904.db2.gz SEYAVDAABRFEBU-DYVFJYSZSA-N 0 1 282.387 3.818 20 0 CHADMN COc1ncccc1CN[C@H](C)c1cc(C)cc(C)c1 ZINC000130304229 525061968 /nfs/dbraw/zinc/06/19/68/525061968.db2.gz REETVMCEPKXTCF-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(F)cc2F)cc1 ZINC000050198538 525154271 /nfs/dbraw/zinc/15/42/71/525154271.db2.gz HBJSKAFNBMMFGM-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccc(F)c2)c(OC)c1 ZINC000020473347 525154528 /nfs/dbraw/zinc/15/45/28/525154528.db2.gz BKCLJVWJJVDIFI-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc3c(n2)CCCC3)cc1 ZINC000278175412 525155672 /nfs/dbraw/zinc/15/56/72/525155672.db2.gz BGBDWYXHZQROSC-CQSZACIVSA-N 0 1 296.414 3.820 20 0 CHADMN C[C@](O)(CNCc1c(F)cccc1Cl)c1cccs1 ZINC000265793172 525176929 /nfs/dbraw/zinc/17/69/29/525176929.db2.gz RAPPKDJISPXVCT-AWEZNQCLSA-N 0 1 299.798 3.538 20 0 CHADMN COc1ccc([C@@H](NCc2ccc(C)o2)C2CC2)cc1 ZINC000049933443 525201512 /nfs/dbraw/zinc/20/15/12/525201512.db2.gz HZGZUOFPEYUTLA-KRWDZBQOSA-N 0 1 271.360 3.838 20 0 CHADMN COc1ccc([C@@H](NCc2c(C)noc2C)C(C)C)cc1 ZINC000102536106 525201814 /nfs/dbraw/zinc/20/18/14/525201814.db2.gz SFPWAHPUPNKPHC-KRWDZBQOSA-N 0 1 288.391 3.787 20 0 CHADMN C[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccsc1 ZINC000061367939 525216985 /nfs/dbraw/zinc/21/69/85/525216985.db2.gz IQSNZLFVXOITGV-QMMMGPOBSA-N 0 1 281.764 3.598 20 0 CHADMN C[C@H](NC(=O)c1cccc2nc[nH]c21)c1ccccc1Cl ZINC000157845441 525234067 /nfs/dbraw/zinc/23/40/67/525234067.db2.gz GCGYXIAYFDXPIY-JTQLQIEISA-N 0 1 299.761 3.707 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(Cl)cc2)cc1O ZINC000289558511 525323477 /nfs/dbraw/zinc/32/34/77/525323477.db2.gz COCHBSGPCZHUGR-NSHDSACASA-N 0 1 291.778 3.905 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(F)c(F)c2)c(F)c1 ZINC000049577493 525324158 /nfs/dbraw/zinc/32/41/58/525324158.db2.gz YTAFDQGGTRNGNO-JTQLQIEISA-N 0 1 295.304 3.963 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cccnc2)c(OC)c1 ZINC000020127830 525334050 /nfs/dbraw/zinc/33/40/50/525334050.db2.gz YMVBRFNUHHDODC-OLZOCXBDSA-N 0 1 286.375 3.511 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccccn2)cc1OC ZINC000020123680 525334231 /nfs/dbraw/zinc/33/42/31/525334231.db2.gz UQFGLDGHDZEPMG-QWHCGFSZSA-N 0 1 286.375 3.511 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cccnc2)cc1F ZINC000020127904 525334463 /nfs/dbraw/zinc/33/44/63/525334463.db2.gz JGGPDLZIADYOMV-NWDGAFQWSA-N 0 1 274.339 3.641 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)o1 ZINC000292756022 525342531 /nfs/dbraw/zinc/34/25/31/525342531.db2.gz IZWVXJMJHKESHK-BQPHKTIFSA-N 0 1 281.346 3.880 20 0 CHADMN Cc1ccc(O)c(CN[C@@H](C)c2ccccc2Cl)n1 ZINC000103340650 525352379 /nfs/dbraw/zinc/35/23/79/525352379.db2.gz GHTHXVUAMNNXIA-NSHDSACASA-N 0 1 276.767 3.600 20 0 CHADMN C[C@H](NCCc1ccc(Cl)s1)c1cscn1 ZINC000127833898 525365764 /nfs/dbraw/zinc/36/57/64/525365764.db2.gz JPZOHDMUKWZRJU-QMMMGPOBSA-N 0 1 272.826 3.751 20 0 CHADMN COc1ccc([C@H](NCc2ccn(C(C)C)n2)C2CC2)cc1 ZINC000265341144 525374224 /nfs/dbraw/zinc/37/42/24/525374224.db2.gz PURPBIPKLIHMNX-GOSISDBHSA-N 0 1 299.418 3.714 20 0 CHADMN C[C@@H](NCC1(C)CCC1)c1nc(-c2cccc(F)c2)no1 ZINC000274803449 525418805 /nfs/dbraw/zinc/41/88/05/525418805.db2.gz PLTXLCXDLBBFSN-LLVKDONJSA-N 0 1 289.354 3.717 20 0 CHADMN Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2cn(C(C)C)nn2)C1 ZINC000289494208 525445178 /nfs/dbraw/zinc/44/51/78/525445178.db2.gz CTINYTUGLBRHJX-CVEARBPZSA-N 0 1 298.434 3.545 20 0 CHADMN Cc1ccccc1[C@H]1C[C@H](C)N(Cc2ncnn2C(C)C)C1 ZINC000279960956 525445991 /nfs/dbraw/zinc/44/59/91/525445991.db2.gz IGYNCVAEYDJCHT-HOTGVXAUSA-N 0 1 298.434 3.545 20 0 CHADMN Cc1ccc(O[C@@H](C)c2nc([C@H](N)CC(C)C)no2)cc1 ZINC000339356854 525461467 /nfs/dbraw/zinc/46/14/67/525461467.db2.gz CIZJSNLJIRJAGM-GXTWGEPZSA-N 0 1 289.379 3.564 20 0 CHADMN C[C@@H](NCCc1ccccc1OC(F)F)c1cscn1 ZINC000276642932 525462602 /nfs/dbraw/zinc/46/26/02/525462602.db2.gz KYCYINLYGYKYJU-SNVBAGLBSA-N 0 1 298.358 3.638 20 0 CHADMN C[C@H](NCc1cccnc1)c1cccc(OC(F)F)c1 ZINC000020141312 525464353 /nfs/dbraw/zinc/46/43/53/525464353.db2.gz VPUKIXCLUXFAKM-NSHDSACASA-N 0 1 278.302 3.534 20 0 CHADMN C[C@H](NCc1cccnc1)c1ccccc1OC(F)F ZINC000020140953 525465099 /nfs/dbraw/zinc/46/50/99/525465099.db2.gz JOUVGNKESHCTIJ-NSHDSACASA-N 0 1 278.302 3.534 20 0 CHADMN C[C@H](NCc1cccs1)c1ccc(Br)cn1 ZINC000279666479 525469321 /nfs/dbraw/zinc/46/93/21/525469321.db2.gz HBKNFAUWGALJQP-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN C[C@H](NCc1cncc(F)c1)c1ccc2c(c1)CCCC2 ZINC000275232472 525477471 /nfs/dbraw/zinc/47/74/71/525477471.db2.gz VZAQSCZWGUKTFD-ZDUSSCGKSA-N 0 1 284.378 3.950 20 0 CHADMN C[C@@H](NC[C@@H]1CC=CCC1)c1nc(Cc2ccccc2)no1 ZINC000237433812 525477742 /nfs/dbraw/zinc/47/77/42/525477742.db2.gz NSGJNAQQCCITGI-GDBMZVCRSA-N 0 1 297.402 3.667 20 0 CHADMN COc1ccc2c(c1)C1(CC1)CN([C@@H](C)c1ccccn1)C2 ZINC000289419107 525508720 /nfs/dbraw/zinc/50/87/20/525508720.db2.gz BTAJDSZYOYZTBK-AWEZNQCLSA-N 0 1 294.398 3.699 20 0 CHADMN Cc1cc([C@H](C)NCc2cnn(-c3ccccc3)c2)c(C)o1 ZINC000069287124 525522063 /nfs/dbraw/zinc/52/20/63/525522063.db2.gz NENGQGVXJRYKMF-AWEZNQCLSA-N 0 1 295.386 3.933 20 0 CHADMN C[C@H](N[C@@H](C)[C@@H](O)c1ccccc1)c1cccnc1Cl ZINC000290280948 525523617 /nfs/dbraw/zinc/52/36/17/525523617.db2.gz MFSORKBWTZSMRS-SLEUVZQESA-N 0 1 290.794 3.508 20 0 CHADMN C[C@@H](NCc1ccc(N(C)C)nc1)c1csc(Cl)c1 ZINC000276444259 525526796 /nfs/dbraw/zinc/52/67/96/525526796.db2.gz YJUAFVPERWQYSC-SNVBAGLBSA-N 0 1 295.839 3.713 20 0 CHADMN C[C@@H](NCc1ccccc1F)c1ccccc1N(C)C ZINC000093941245 525538992 /nfs/dbraw/zinc/53/89/92/525538992.db2.gz FQVQDFBVZZTGDY-CYBMUJFWSA-N 0 1 272.367 3.743 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc2c(s1)CCC2 ZINC000276768790 525585255 /nfs/dbraw/zinc/58/52/55/525585255.db2.gz OJROOLBZLAZKOR-UHFFFAOYSA-N 0 1 297.383 3.674 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccoc1C(C)C ZINC000281001380 525585675 /nfs/dbraw/zinc/58/56/75/525585675.db2.gz OBIGMOABNMKOKN-UHFFFAOYSA-N 0 1 283.331 3.840 20 0 CHADMN C[C@H](N[C@H](CO)c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000062999745 525596500 /nfs/dbraw/zinc/59/65/00/525596500.db2.gz BSIRDUCEXAISSN-MEDUHNTESA-N 0 1 293.769 3.863 20 0 CHADMN Cc1nnc([C@@H](C)NCC[C@H]2C[C@H](C)C[C@H](C)C2)s1 ZINC000353579386 534870829 /nfs/dbraw/zinc/87/08/29/534870829.db2.gz FTZYYNTTYKSVIM-CZXHOFHRSA-N 0 1 281.469 3.960 20 0 CHADMN C[C@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(Cl)s1 ZINC000280177871 525613844 /nfs/dbraw/zinc/61/38/44/525613844.db2.gz RNATYROQNOBWHC-ONGXEEELSA-N 0 1 295.839 3.863 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccco1)[C@@H]1OCCc2sccc21 ZINC000292008320 525617530 /nfs/dbraw/zinc/61/75/30/525617530.db2.gz YJNSQGMFORHXJX-RWSFTLGLSA-N 0 1 277.389 3.694 20 0 CHADMN C[C@H](N[C@H]1CCOC1)c1cc(F)c(Cl)cc1Cl ZINC000131336214 525620370 /nfs/dbraw/zinc/62/03/70/525620370.db2.gz BJBYXTQHVSEDLN-YUMQZZPRSA-N 0 1 278.154 3.572 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(Cl)s1 ZINC000271488752 525626497 /nfs/dbraw/zinc/62/64/97/525626497.db2.gz ONWADLTXSWPLHZ-SKDRFNHKSA-N 0 1 299.798 3.925 20 0 CHADMN COc1cccc(-c2nc(CN(C)C3CCC3)cs2)c1 ZINC000075842232 525723058 /nfs/dbraw/zinc/72/30/58/525723058.db2.gz ZLECMVSAARIMNQ-UHFFFAOYSA-N 0 1 288.416 3.803 20 0 CHADMN Cc1ccncc1CN[C@H]1CCCOc2c(F)cccc21 ZINC000280272168 525750763 /nfs/dbraw/zinc/75/07/63/525750763.db2.gz MASDXTWWFQLCAA-INIZCTEOSA-N 0 1 286.350 3.533 20 0 CHADMN Cc1ccc([C@@H](NCc2nncn2C)C2CCCCC2)cc1 ZINC000276667785 525774189 /nfs/dbraw/zinc/77/41/89/525774189.db2.gz QNRRDXLJMWIRQF-SFHVURJKSA-N 0 1 298.434 3.535 20 0 CHADMN Cc1ccsc1CN(Cc1ccccn1)C1CC1 ZINC000290389000 525845558 /nfs/dbraw/zinc/84/55/58/525845558.db2.gz IQODONLZUBUMCB-UHFFFAOYSA-N 0 1 258.390 3.616 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2cc(C)ncn2)o1 ZINC000292326126 525846491 /nfs/dbraw/zinc/84/64/91/525846491.db2.gz BTQVHCOKWFEKFT-LRDDRELGSA-N 0 1 285.391 3.660 20 0 CHADMN C[C@@]1(NCc2csc(Cl)c2Cl)CCCOC1 ZINC000309500174 525875025 /nfs/dbraw/zinc/87/50/25/525875025.db2.gz USEABIIJCPIYTP-LLVKDONJSA-N 0 1 280.220 3.714 20 0 CHADMN Cc1c([C@@H](C)N[C@H]2CCc3c2cccc3O)cnn1C(C)C ZINC000276420306 525906456 /nfs/dbraw/zinc/90/64/56/525906456.db2.gz VQWGKUDNHSOROH-PXAZEXFGSA-N 0 1 299.418 3.816 20 0 CHADMN C[C@@]12CCN(C/C=C/c3ccc(F)c(F)c3)C[C@@H]1C2(F)F ZINC000292894082 525913194 /nfs/dbraw/zinc/91/31/94/525913194.db2.gz ZKGPEOAKGJOVCU-MQQKUOPWSA-N 0 1 299.311 3.955 20 0 CHADMN Cc1cnc(C(C)(C)NCc2ccccc2C)s1 ZINC000080346855 525981771 /nfs/dbraw/zinc/98/17/71/525981771.db2.gz UBWXXZNESZGARF-UHFFFAOYSA-N 0 1 260.406 3.785 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](C)NCc1cnc(C)nc1 ZINC000339282197 525987954 /nfs/dbraw/zinc/98/79/54/525987954.db2.gz KTBRUBQIPWOZMM-GFCCVEGCSA-N 0 1 281.359 3.690 20 0 CHADMN COc1cccc(CNC2(c3ccccc3F)CC2)c1 ZINC000130544771 526012046 /nfs/dbraw/zinc/01/20/46/526012046.db2.gz RIGRREJJPYZHQW-UHFFFAOYSA-N 0 1 271.335 3.613 20 0 CHADMN Cc1cn[nH]c1CN(C)Cc1cc(Cl)cc(Cl)c1 ZINC000290354368 526021241 /nfs/dbraw/zinc/02/12/41/526021241.db2.gz GANNKHOJMQLDTN-UHFFFAOYSA-N 0 1 284.190 3.657 20 0 CHADMN Cc1c[nH]nc1CNC1(c2ccc(Cl)cc2)CCCC1 ZINC000289437423 526029972 /nfs/dbraw/zinc/02/99/72/526029972.db2.gz FPBBDJHIHTWISV-UHFFFAOYSA-N 0 1 289.810 3.931 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccsc2)c1OC ZINC000061360709 526030573 /nfs/dbraw/zinc/03/05/73/526030573.db2.gz XSTLKGMPLNALOT-NSHDSACASA-N 0 1 277.389 3.616 20 0 CHADMN Cc1c[nH]nc1CN[C@H](CC1CCC1)c1ccccc1 ZINC000289410233 526033423 /nfs/dbraw/zinc/03/34/23/526033423.db2.gz BLMKWHDOYYUAHC-MRXNPFEDSA-N 0 1 269.392 3.739 20 0 CHADMN Cc1cn[nH]c1CNc1cc(Br)c(F)cc1C ZINC000289532912 526033542 /nfs/dbraw/zinc/03/35/42/526033542.db2.gz OSCMDKIVXPTSSP-UHFFFAOYSA-N 0 1 298.159 3.540 20 0 CHADMN Cc1cn[nH]c1CN[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000289572560 526034501 /nfs/dbraw/zinc/03/45/01/526034501.db2.gz RXZHGOBAKDWXRM-GFCCVEGCSA-N 0 1 298.415 3.692 20 0 CHADMN Cc1c[nH]nc1CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000289399364 526035232 /nfs/dbraw/zinc/03/52/32/526035232.db2.gz ABIULDYPBNPDOP-QSGSBWRWSA-N 0 1 289.810 3.858 20 0 CHADMN Cc1c[nH]nc1CN[C@H](c1cccc(C)c1)C(C)(C)C ZINC000289426919 526035416 /nfs/dbraw/zinc/03/54/16/526035416.db2.gz DFYCISHUKJELNI-MRXNPFEDSA-N 0 1 271.408 3.904 20 0 CHADMN Cc1cn[nH]c1CNc1cccc(OC2CCCC2)c1 ZINC000289411761 526037672 /nfs/dbraw/zinc/03/76/72/526037672.db2.gz AIDXJXZNRULOIW-UHFFFAOYSA-N 0 1 271.364 3.652 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(F)cn1 ZINC000276361883 526054731 /nfs/dbraw/zinc/05/47/31/526054731.db2.gz MMUGIFWMQJQPDS-NSHDSACASA-N 0 1 262.303 3.553 20 0 CHADMN C[C@H](c1cccnc1)N(C)Cc1cnc2ccccc2c1 ZINC000337194668 526130868 /nfs/dbraw/zinc/13/08/68/526130868.db2.gz WJKDEZCHJFNZEW-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N(C)CC1CC1 ZINC000080722731 526167351 /nfs/dbraw/zinc/16/73/51/526167351.db2.gz XGYIKTWPDBOHHR-SNVBAGLBSA-N 0 1 291.782 3.793 20 0 CHADMN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)CC1CCCC1 ZINC000299388801 526172878 /nfs/dbraw/zinc/17/28/78/526172878.db2.gz DWXCPBLURCJRFE-LBPRGKRZSA-N 0 1 285.391 3.518 20 0 CHADMN C[C@H](c1nc2ccccc2n1C(F)F)N1CC[C@H](C)C1 ZINC000299628916 526177346 /nfs/dbraw/zinc/17/73/46/526177346.db2.gz KUNZMRHVQYWWMP-WDEREUQCSA-N 0 1 279.334 3.834 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1n[nH]c(C(C)C)n1 ZINC000292836148 526192747 /nfs/dbraw/zinc/19/27/47/526192747.db2.gz MYAPNHSNLPTRQT-NSHDSACASA-N 0 1 290.436 3.501 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1ccc(C)nc1 ZINC000337305752 526192855 /nfs/dbraw/zinc/19/28/55/526192855.db2.gz RJJKMCSFSLOERU-ZDUSSCGKSA-N 0 1 272.417 3.963 20 0 CHADMN C[C@H](c1noc(-c2ccc(Cl)cc2O)n1)C1CC1 ZINC000273853098 526193074 /nfs/dbraw/zinc/19/30/74/526193074.db2.gz CJNIVNGJSNOBAB-ZETCQYMHSA-N 0 1 264.712 3.609 20 0 CHADMN Fc1ccc(CN2CCC(c3ncc[nH]3)CC2)c(Cl)c1 ZINC000265493000 526330863 /nfs/dbraw/zinc/33/08/63/526330863.db2.gz NQXCPQFWVSLFJN-UHFFFAOYSA-N 0 1 293.773 3.582 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2CCCCC2)cc1 ZINC000263570347 526365067 /nfs/dbraw/zinc/36/50/67/526365067.db2.gz ICNGOGSRPNOILR-QGZVFWFLSA-N 0 1 287.403 3.930 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000263578930 526365306 /nfs/dbraw/zinc/36/53/06/526365306.db2.gz TZBNONUIQQBTIG-SFHVURJKSA-N 0 1 295.382 3.592 20 0 CHADMN Fc1cccc([C@@H](NCC2=CCCOC2)c2ccccc2)c1 ZINC000127842729 526397225 /nfs/dbraw/zinc/39/72/25/526397225.db2.gz XPOBRVQBASHWBG-IBGZPJMESA-N 0 1 297.373 3.851 20 0 CHADMN Cc1csc([C@@H](C)NCc2ccc(C)s2)n1 ZINC000069168490 526413535 /nfs/dbraw/zinc/41/35/35/526413535.db2.gz DNQJUPVQSRABNS-SNVBAGLBSA-N 0 1 252.408 3.672 20 0 CHADMN O=C(CCCC1CCCC1)Nc1ccccc1-c1nnc[nH]1 ZINC000271492495 526417647 /nfs/dbraw/zinc/41/76/47/526417647.db2.gz GNIWXGUTPMDVCK-UHFFFAOYSA-N 0 1 298.390 3.771 20 0 CHADMN c1ccc(-c2noc(CN(C3CCC3)C3CCC3)n2)cc1 ZINC000292378386 526457418 /nfs/dbraw/zinc/45/74/18/526457418.db2.gz JJNXSNOADSIWNX-UHFFFAOYSA-N 0 1 283.375 3.644 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ncc(C(C)C)s1 ZINC000120762942 526483631 /nfs/dbraw/zinc/48/36/31/526483631.db2.gz ONNFHGVLMVFCTP-UHFFFAOYSA-N 0 1 292.408 3.674 20 0 CHADMN Cc1noc(C)c1CNCc1cc(C)c(C)cc1C ZINC000067977883 526515277 /nfs/dbraw/zinc/51/52/77/526515277.db2.gz DOOZPZGZZCFAPQ-UHFFFAOYSA-N 0 1 258.365 3.507 20 0 CHADMN c1cn(Cc2ccccc2)c(CN(C2CCC2)C2CCC2)n1 ZINC000292518597 526534369 /nfs/dbraw/zinc/53/43/69/526534369.db2.gz WDTPLDONMMWXJN-UHFFFAOYSA-N 0 1 295.430 3.838 20 0 CHADMN Cc1[nH]ncc1CNc1ccc2nc(C(F)F)sc2c1 ZINC000353103729 526556571 /nfs/dbraw/zinc/55/65/71/526556571.db2.gz SSMQTMPFVUPKGZ-UHFFFAOYSA-N 0 1 294.330 3.878 20 0 CHADMN Brc1cscc1CN1CC[C@H](C2CC2)C1 ZINC000347860903 526653210 /nfs/dbraw/zinc/65/32/10/526653210.db2.gz SKVCHCHYMZQNHL-JTQLQIEISA-N 0 1 286.238 3.743 20 0 CHADMN Cc1nc(C(C)C)ccc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000339345393 526666509 /nfs/dbraw/zinc/66/65/09/526666509.db2.gz QPMZUDGQCDJUBO-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN Cc1nc(C(C)C)ccc1CN(C)[C@@H](CO)c1ccccc1 ZINC000293155718 526666714 /nfs/dbraw/zinc/66/67/14/526666714.db2.gz RDAIJGRNAPULTK-IBGZPJMESA-N 0 1 298.430 3.679 20 0 CHADMN Cc1nocc1CN[C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000293301582 526697154 /nfs/dbraw/zinc/69/71/54/526697154.db2.gz PNTYYRKUVJEYBP-IAGOWNOFSA-N 0 1 270.376 3.957 20 0 CHADMN Cc1nc(C)c([C@H](C)NCc2ccccc2F)s1 ZINC000040445909 526754650 /nfs/dbraw/zinc/75/46/50/526754650.db2.gz GHTZKNQFIPITOK-VIFPVBQESA-N 0 1 264.369 3.750 20 0 CHADMN Cc1nc(CN2CCC3(CCCCC3)CC2)oc1C ZINC000363458316 526854015 /nfs/dbraw/zinc/85/40/15/526854015.db2.gz SSNIYYLQBQQRGM-UHFFFAOYSA-N 0 1 262.397 3.838 20 0 CHADMN Clc1ccc(CC2(NCc3cocn3)CCC2)cc1 ZINC000291822758 526941674 /nfs/dbraw/zinc/94/16/74/526941674.db2.gz ZJIQRHYFEISQPE-UHFFFAOYSA-N 0 1 276.767 3.583 20 0 CHADMN Cc1nc(F)ccc1CN[C@@H]1CCSc2ccccc21 ZINC000278441998 526946279 /nfs/dbraw/zinc/94/62/79/526946279.db2.gz UTFPSUDTNZUBCA-CQSZACIVSA-N 0 1 288.391 3.856 20 0 CHADMN Clc1nccc(CN2C[C@H]3CCC[C@@H]3C2)c1Cl ZINC000290380893 527008492 /nfs/dbraw/zinc/00/84/92/527008492.db2.gz IMEDNPGNUIXCGV-NXEZZACHSA-N 0 1 271.191 3.620 20 0 CHADMN Cc1nc([C@H](C)Sc2nc3ccc(Cl)cc3[nH]2)no1 ZINC000278683621 527068369 /nfs/dbraw/zinc/06/83/69/527068369.db2.gz YWZZJALXLVGSAV-LURJTMIESA-N 0 1 294.767 3.761 20 0 CHADMN Cn1c2ccccc2nc1[C@H](NCCCF)c1ccccc1 ZINC000126065849 527118786 /nfs/dbraw/zinc/11/87/86/527118786.db2.gz USXKCTURVPRDRY-QGZVFWFLSA-N 0 1 297.377 3.612 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(Cc2ccco2)C(C)C)[nH]1 ZINC000338582317 527149612 /nfs/dbraw/zinc/14/96/12/527149612.db2.gz SYNYTAFJNXUDDM-UHFFFAOYSA-N 0 1 297.358 3.515 20 0 CHADMN Cc1nc2cccc(C(=O)NC3(C)CCC(C)CC3)c2[nH]1 ZINC000338580026 527152547 /nfs/dbraw/zinc/15/25/47/527152547.db2.gz JVSQZLLWKAYOFL-UHFFFAOYSA-N 0 1 285.391 3.570 20 0 CHADMN Cc1nc2cccc(C(=O)NCC3(C)CCCCC3)c2[nH]1 ZINC000338575387 527152713 /nfs/dbraw/zinc/15/27/13/527152713.db2.gz ZKFUKOGZGFGSFI-UHFFFAOYSA-N 0 1 285.391 3.572 20 0 CHADMN Cc1nccc(CNC2(c3ccccc3)CCCCC2)n1 ZINC000339258462 527337359 /nfs/dbraw/zinc/33/73/59/527337359.db2.gz REUFZXFEPAWQNP-UHFFFAOYSA-N 0 1 281.403 3.734 20 0 CHADMN C/C(=C/c1ccc(Cl)cc1)c1nc(C2(N)CCC2)no1 ZINC000334855442 527500748 /nfs/dbraw/zinc/50/07/48/527500748.db2.gz XNWSAOPTRIEWRW-KTKRTIGZSA-N 0 1 289.766 3.621 20 0 CHADMN Cc1ncsc1CN[C@H](C)c1ccc(Cl)cc1 ZINC000071212366 527511834 /nfs/dbraw/zinc/51/18/34/527511834.db2.gz FYQUGCLGCVZFJS-SECBINFHSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1ncsc1CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000071212384 527512345 /nfs/dbraw/zinc/51/23/45/527512345.db2.gz HBHAFQLNPLCQFU-QMMMGPOBSA-N 0 1 268.332 3.581 20 0 CHADMN OC[C@H](N[C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000062999183 527610773 /nfs/dbraw/zinc/61/07/73/527610773.db2.gz YBFPFVQLAUDRRE-CVEARBPZSA-N 0 1 285.412 3.547 20 0 CHADMN Cc1nn(C)cc1CN[C@@H](C)c1oc2ccccc2c1C ZINC000157697208 527692765 /nfs/dbraw/zinc/69/27/65/527692765.db2.gz LRPXZQVHBDCGTQ-ZDUSSCGKSA-N 0 1 283.375 3.634 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1nccc2ccccc21 ZINC000289810083 527697104 /nfs/dbraw/zinc/69/71/04/527697104.db2.gz PJQRSDSTKOZURD-OCCSQVGLSA-N 0 1 294.402 3.689 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@H]1CCSc2ccccc21 ZINC000087408576 527697378 /nfs/dbraw/zinc/69/73/78/527697378.db2.gz SLLOBOINYPWSQX-ABAIWWIYSA-N 0 1 287.432 3.616 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NCc1ccc(-c2ccccc2)o1 ZINC000237576413 527699908 /nfs/dbraw/zinc/69/99/08/527699908.db2.gz PKOMWRCOHHSPSD-ZDUSSCGKSA-N 0 1 295.386 3.839 20 0 CHADMN CC(C)CC[C@H]1CCCCN1Cc1cn(C(C)C)nn1 ZINC000347926898 527853208 /nfs/dbraw/zinc/85/32/08/527853208.db2.gz ZCKJFXNXEXCYJZ-MRXNPFEDSA-N 0 1 278.444 3.650 20 0 CHADMN CC(C)CCn1cccc1CNCc1ccc2cc[nH]c2n1 ZINC000353216545 527885320 /nfs/dbraw/zinc/88/53/20/527885320.db2.gz GVBKFEMDAMNFAK-UHFFFAOYSA-N 0 1 296.418 3.700 20 0 CHADMN CC(C)OCCCN(C)Cc1cnc(C2CCC2)s1 ZINC000353704199 527935075 /nfs/dbraw/zinc/93/50/75/527935075.db2.gz ACTWTXRFGNQPBV-UHFFFAOYSA-N 0 1 282.453 3.658 20 0 CHADMN CC(C)c1cc(C(=O)Nc2cc(Cl)c(O)cc2F)no1 ZINC000336351243 528040014 /nfs/dbraw/zinc/04/00/14/528040014.db2.gz DBTIBAIGOXCOJY-UHFFFAOYSA-N 0 1 298.701 3.548 20 0 CHADMN CC1(c2ccccc2)CCN(Cc2cncc(F)c2)CC1 ZINC000346979418 528065475 /nfs/dbraw/zinc/06/54/75/528065475.db2.gz LLDDIAZGOGQNJU-UHFFFAOYSA-N 0 1 284.378 3.774 20 0 CHADMN CCC[C@H](NCc1ccc2cc[nH]c2n1)c1cccnc1 ZINC000353633372 528229069 /nfs/dbraw/zinc/22/90/69/528229069.db2.gz XBOBGDPFTBPURA-INIZCTEOSA-N 0 1 280.375 3.589 20 0 CHADMN CC(C)c1nc(CN(C[C@@H](C)O)C2CCCCC2)cs1 ZINC000353451075 528275972 /nfs/dbraw/zinc/27/59/72/528275972.db2.gz WBBNTSXYBWXJNK-CYBMUJFWSA-N 0 1 296.480 3.782 20 0 CHADMN CCC(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000352279984 528439244 /nfs/dbraw/zinc/43/92/44/528439244.db2.gz NVFKHNNHGSCLLN-UHFFFAOYSA-N 0 1 271.364 3.959 20 0 CHADMN CCCCN(Cc1n[nH]c(CC)n1)[C@H](C)c1ccccc1 ZINC000354796346 528446886 /nfs/dbraw/zinc/44/68/86/528446886.db2.gz VLDHIAUEIZRCNB-CQSZACIVSA-N 0 1 286.423 3.730 20 0 CHADMN CCOCCCCNc1ccnc2cc(F)ccc21 ZINC000113246957 528658150 /nfs/dbraw/zinc/65/81/50/528658150.db2.gz OILLHSYXZIWMLE-UHFFFAOYSA-N 0 1 262.328 3.603 20 0 CHADMN CC(c1nc(C2(N)CCCCC2)no1)=C1CCCC1 ZINC000333590814 528748965 /nfs/dbraw/zinc/74/89/65/528748965.db2.gz PARNPZOXQUYPIB-UHFFFAOYSA-N 0 1 261.369 3.535 20 0 CHADMN CCCOc1cccc(CN(C)Cc2ccoc2)c1 ZINC000352649630 528752622 /nfs/dbraw/zinc/75/26/22/528752622.db2.gz MGXYNNDLDKFYNB-UHFFFAOYSA-N 0 1 259.349 3.700 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cc(O)cc(F)c1 ZINC000352011174 528811029 /nfs/dbraw/zinc/81/10/29/528811029.db2.gz PQLDHTSEZWCDNP-UHFFFAOYSA-N 0 1 277.314 3.693 20 0 CHADMN CCCn1cc(CN2Cc3ccccc3C[C@H]2CC)cn1 ZINC000344875565 528843513 /nfs/dbraw/zinc/84/35/13/528843513.db2.gz CHZNGKNODTUEPH-GOSISDBHSA-N 0 1 283.419 3.630 20 0 CHADMN CCN(Cc1ncc(CSC)s1)CC(C)(C)C ZINC000353567780 528888940 /nfs/dbraw/zinc/88/89/40/528888940.db2.gz LAQDJZJAERGPDI-UHFFFAOYSA-N 0 1 272.483 3.874 20 0 CHADMN CCCC[C@H](NCc1ccnc(N(C)C)n1)c1ccccc1 ZINC000344292181 528993074 /nfs/dbraw/zinc/99/30/74/528993074.db2.gz FSYYFYPGGFPVBJ-KRWDZBQOSA-N 0 1 298.434 3.564 20 0 CHADMN CC1(C)CN(CCOC2CCC2)[C@@H]1c1cccs1 ZINC000347583626 529119562 /nfs/dbraw/zinc/11/95/62/529119562.db2.gz QGMMHEDOBOJAFB-CQSZACIVSA-N 0 1 265.422 3.700 20 0 CHADMN CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCC(=O)[O-] ZINC000116387987 529182767 /nfs/dbraw/zinc/18/27/67/529182767.db2.gz IOPBLMYLGAKICJ-CVEARBPZSA-N 0 1 275.392 3.509 20 0 CHADMN CC[C@H](c1ccccc1OC)N(C)Cc1ccncc1 ZINC000347521708 529184517 /nfs/dbraw/zinc/18/45/17/529184517.db2.gz AMLKSLYWVVBYIB-MRXNPFEDSA-N 0 1 270.376 3.673 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1cn(-c2ccccc2)nn1)C1CC1 ZINC000353307966 529202823 /nfs/dbraw/zinc/20/28/23/529202823.db2.gz MUBVGVYXHDCRIB-LSDHHAIUSA-N 0 1 298.434 3.666 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@H](C)c1csc(C)n1 ZINC000354989076 529317130 /nfs/dbraw/zinc/31/71/30/529317130.db2.gz UZJJCWNQLALKCZ-VXNVDRBHSA-N 0 1 266.332 3.833 20 0 CHADMN Cc1ccc([C@@H](C)[N@@H+](C)Cc2cc(C(=O)[O-])co2)c(C)c1 ZINC000738553727 599848464 /nfs/dbraw/zinc/84/84/64/599848464.db2.gz ZGWBMWOWSJFPDV-CYBMUJFWSA-N 0 1 287.359 3.788 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)[C@H]1CCCc2ccccc21 ZINC000316409316 599963073 /nfs/dbraw/zinc/96/30/73/599963073.db2.gz YXKWTJGFJKTVAX-SFHVURJKSA-N 0 1 295.382 3.894 20 0 CHADMN O=C([O-])c1occc1C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000566684235 600024873 /nfs/dbraw/zinc/02/48/73/600024873.db2.gz OPCDFZBZEDREMK-MRXNPFEDSA-N 0 1 299.370 3.575 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCCC[C@H]2Cc2ccccc2)c1 ZINC000566625353 600025007 /nfs/dbraw/zinc/02/50/07/600025007.db2.gz PAKKATVUYJVYCN-INIZCTEOSA-N 0 1 299.370 3.575 20 0 CHADMN O=C([O-])c1cc(F)ccc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000383631897 600083209 /nfs/dbraw/zinc/08/32/09/600083209.db2.gz JCGVUSWLVGFSOE-UHFFFAOYSA-N 0 1 299.345 3.689 20 0 CHADMN C[N@@H+](Cc1ccc(F)cc1C(=O)[O-])[C@H]1CCc2ccccc21 ZINC000568060298 600083525 /nfs/dbraw/zinc/08/35/25/600083525.db2.gz AFYHXOHEOKLGEJ-KRWDZBQOSA-N 0 1 299.345 3.643 20 0 CHADMN Cc1ccc([C@H]2CCC[N@@H+]2[C@H](C)c2ccc(C(=O)[O-])o2)o1 ZINC000565104039 600217844 /nfs/dbraw/zinc/21/78/44/600217844.db2.gz MFEJOIBFNVBHGD-VXGBXAGGSA-N 0 1 289.331 3.777 20 0 CHADMN O=C([O-])CCC[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC000116368952 600226251 /nfs/dbraw/zinc/22/62/51/600226251.db2.gz IGFNNBTVQAUJNT-UHFFFAOYSA-N 0 1 275.392 3.686 20 0 CHADMN C[C@@H](C[N@@H+](CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000659790893 600261004 /nfs/dbraw/zinc/26/10/04/600261004.db2.gz ZQXYWJCBQLIOMT-INIZCTEOSA-N 0 1 297.398 3.767 20 0 CHADMN C[C@H](C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000384320848 600261181 /nfs/dbraw/zinc/26/11/81/600261181.db2.gz OSFRIMJNVDHNLA-CYBMUJFWSA-N 0 1 281.355 3.504 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000091782731 600319044 /nfs/dbraw/zinc/31/90/44/600319044.db2.gz CJROSMOFTAITAT-NWDGAFQWSA-N 0 1 265.353 3.551 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCCC2(CCCCC2)C1 ZINC000583504902 600338053 /nfs/dbraw/zinc/33/80/53/600338053.db2.gz JSLIHNWLJJXMSH-UHFFFAOYSA-N 0 1 291.391 3.833 20 0 CHADMN C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000251100864 600364457 /nfs/dbraw/zinc/36/44/57/600364457.db2.gz MVWNLKDVRPNWJW-DTWKUNHWSA-N 0 1 290.190 3.707 20 0 CHADMN Cc1cccc([C@@H]2CCCCC[N@H+]2CCCC(=O)[O-])c1 ZINC000118006378 600411258 /nfs/dbraw/zinc/41/12/58/600411258.db2.gz XRESAXSFYZTJMP-INIZCTEOSA-N 0 1 275.392 3.777 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)[C@H](c2ccco2)C1 ZINC000578329854 600862101 /nfs/dbraw/zinc/86/21/01/600862101.db2.gz PZPDLXDCDBMVDJ-RISCZKNCSA-N 0 1 289.331 3.544 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC2(C1)CCCCC2 ZINC000312708479 600974856 /nfs/dbraw/zinc/97/48/56/600974856.db2.gz SMPGUMPKNGOMHH-GFCCVEGCSA-N 0 1 277.364 3.695 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000827928468 601119057 /nfs/dbraw/zinc/11/90/57/601119057.db2.gz GQIDPRZIQZKPGY-LLVKDONJSA-N 0 1 299.326 3.917 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@@H+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000659790646 601165091 /nfs/dbraw/zinc/16/50/91/601165091.db2.gz JEINDROAJGEBHG-QGZVFWFLSA-N 0 1 297.329 3.527 20 0 CHADMN CCC(CC)[N@H+](Cc1ccoc1C(=O)[O-])CC(C)C ZINC000093309288 601181080 /nfs/dbraw/zinc/18/10/80/601181080.db2.gz OQFBLNAAEBUPRR-UHFFFAOYSA-N 0 1 267.369 3.624 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000830368919 601412395 /nfs/dbraw/zinc/41/23/95/601412395.db2.gz FJVJTWYJBBWRSE-OAHLLOKOSA-N 0 1 299.370 3.877 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000568068218 601542352 /nfs/dbraw/zinc/54/23/52/601542352.db2.gz GSEGETNMBLVTDW-ACJLOTCBSA-N 0 1 299.370 3.702 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000578242291 601807545 /nfs/dbraw/zinc/80/75/45/601807545.db2.gz QZPYIJPQQPBYKK-GFCCVEGCSA-N 0 1 293.413 3.845 20 0 CHADMN C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC000109602273 601942410 /nfs/dbraw/zinc/94/24/10/601942410.db2.gz AEQKJULKXJMXBH-JTQLQIEISA-N 0 1 293.363 3.778 20 0 CHADMN Cc1ccc([C@H](C)[N@@H+](C)Cc2ccc(C(=O)[O-])s2)cc1 ZINC000832922423 601943370 /nfs/dbraw/zinc/94/33/70/601943370.db2.gz XONOPVYCAVTTON-LBPRGKRZSA-N 0 1 289.400 3.948 20 0 CHADMN CC[N@@H+](CCc1cccs1)Cc1ccc(C(=O)[O-])s1 ZINC000829713625 601947237 /nfs/dbraw/zinc/94/72/37/601947237.db2.gz LOEQBSUIPRKTRM-UHFFFAOYSA-N 0 1 295.429 3.572 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@H]2c2ccco2)s1 ZINC000833313079 601958414 /nfs/dbraw/zinc/95/84/14/601958414.db2.gz NZHLHFFIXSDSFB-LBPRGKRZSA-N 0 1 291.372 3.767 20 0 CHADMN C[C@@H]1c2ccccc2C[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000828527832 601962378 /nfs/dbraw/zinc/96/23/78/601962378.db2.gz PKVZBVBPUUJCJN-SNVBAGLBSA-N 0 1 273.357 3.523 20 0 CHADMN C[C@@H]1c2ccccc2C[N@@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000828527832 601962381 /nfs/dbraw/zinc/96/23/81/601962381.db2.gz PKVZBVBPUUJCJN-SNVBAGLBSA-N 0 1 273.357 3.523 20 0 CHADMN C[C@H](C1CC1)[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1 ZINC000833515267 604518182 /nfs/dbraw/zinc/51/81/82/604518182.db2.gz DKUCHTLXQOVBNK-CYBMUJFWSA-N 0 1 298.386 3.514 20 0 CHADMN CC(C)CC[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)C1CCCC1 ZINC000833483865 604557711 /nfs/dbraw/zinc/55/77/11/604557711.db2.gz RUKJDWLTJMVRPP-UHFFFAOYSA-N 0 1 278.396 3.504 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccc(-c2ccccc2)o1 ZINC000833496828 604641934 /nfs/dbraw/zinc/64/19/34/604641934.db2.gz HBXJYXYITPURJC-UHFFFAOYSA-N 0 1 287.359 3.632 20 0 CHADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000135033356 604941269 /nfs/dbraw/zinc/94/12/69/604941269.db2.gz SNCHXHRQAUBYST-CYBMUJFWSA-N 0 1 295.810 3.663 20 0 CHADMN C[C@@H](c1cccs1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000049727579 948912047 /nfs/dbraw/zinc/91/20/47/948912047.db2.gz HTYYPDKGLFZORQ-NSHDSACASA-N 0 1 275.373 3.639 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CCCCc2ccccc2)C1 ZINC000122137014 949238620 /nfs/dbraw/zinc/23/86/20/949238620.db2.gz GMMFMFUQPZXCOY-GOSISDBHSA-N 0 1 289.419 3.586 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1Cl ZINC000122800378 949245259 /nfs/dbraw/zinc/24/52/59/949245259.db2.gz PCUMVICCOGCDGU-GFCCVEGCSA-N 0 1 299.773 3.698 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC000125373122 949258530 /nfs/dbraw/zinc/25/85/30/949258530.db2.gz YVBFHPMBZXFRFZ-OAHLLOKOSA-N 0 1 267.413 3.676 20 0 CHADMN O=C([O-])c1ccc(C[NH2+][C@H](C(F)F)C2CCCCC2)cc1 ZINC001595230550 949342492 /nfs/dbraw/zinc/34/24/92/949342492.db2.gz IVCHYQFYRITGLR-AWEZNQCLSA-N 0 1 297.345 3.688 20 0 CHADMN CC[N@@H+](CCC1(C(=O)[O-])CCC1)[C@H](C)Cc1ccsc1 ZINC001589730470 950499005 /nfs/dbraw/zinc/49/90/05/950499005.db2.gz ILOLMJYGDCLOIG-CYBMUJFWSA-N 0 1 295.448 3.646 20 0 CHADMN CO[C@@H](C)C[N@@H+](Cc1cc(-c2ccccc2)on1)C(C)C ZINC000348272209 1125459283 /nfs/dbraw/zinc/45/92/83/1125459283.db2.gz QZKZYFBBYFTBKA-AWEZNQCLSA-N 0 1 288.391 3.587 20 0 CHADMN CO[C@@H](C)CN(Cc1cc(-c2ccccc2)on1)C(C)C ZINC000348272209 1125459285 /nfs/dbraw/zinc/45/92/85/1125459285.db2.gz QZKZYFBBYFTBKA-AWEZNQCLSA-N 0 1 288.391 3.587 20 0 CHADMN CC[C@H](C)[N@@H+](CC)Cc1cccc(C(=O)[O-])c1Cl ZINC000382233975 971804399 /nfs/dbraw/zinc/80/43/99/971804399.db2.gz VOJYFBLCBSERMO-JTQLQIEISA-N 0 1 269.772 3.659 20 0 CHADMN O=C([O-])c1ccc(F)c(C[N@@H+](Cc2ccccc2)C2CC2)c1 ZINC000383622585 971881958 /nfs/dbraw/zinc/88/19/58/971881958.db2.gz GVLBRWMBQYGUNQ-UHFFFAOYSA-N 0 1 299.345 3.689 20 0 CHADMN CC(C)[C@@H](C[N@H+]1CCC[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000563943416 953601340 /nfs/dbraw/zinc/60/13/40/953601340.db2.gz DTWZVXHHFJTOFS-NVXWUHKLSA-N 0 1 289.419 3.613 20 0 CHADMN CC(C)[C@@H](C[N@H+]1CCC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000563943415 953602340 /nfs/dbraw/zinc/60/23/40/953602340.db2.gz DTWZVXHHFJTOFS-DOTOQJQBSA-N 0 1 289.419 3.613 20 0 CHADMN C/C=C/C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000629375479 953823741 /nfs/dbraw/zinc/82/37/41/953823741.db2.gz GJVOHXSWXCQMDF-HSWBROFVSA-N 0 1 273.376 3.563 20 0 CHADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC000385112263 971981423 /nfs/dbraw/zinc/98/14/23/971981423.db2.gz DEIPGFYCVVESFM-OAHLLOKOSA-N 0 1 279.424 3.700 20 0 CHADMN O=C([O-])[C@@H]1C[N@@H+](CCCC2CCCC2)Cc2ccccc21 ZINC000652469985 954085572 /nfs/dbraw/zinc/08/55/72/954085572.db2.gz KKLKYLKMFGLGKV-QGZVFWFLSA-N 0 1 287.403 3.641 20 0 CHADMN C[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC001593721468 954257538 /nfs/dbraw/zinc/25/75/38/954257538.db2.gz SAIHWULKNQDBBB-UHFFFAOYSA-N 0 1 289.762 3.523 20 0 CHADMN CC[N@@H+](CCCc1cccc2ccccc21)[C@H](C)C(=O)[O-] ZINC000662214808 954383400 /nfs/dbraw/zinc/38/34/00/954383400.db2.gz GXXDKQMWLZTIAA-CQSZACIVSA-N 0 1 285.387 3.567 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C[C@@H]1C(=O)[O-] ZINC000662213199 954383616 /nfs/dbraw/zinc/38/36/16/954383616.db2.gz UDETVVDVYRNQAJ-CJNGLKHVSA-N 0 1 289.419 3.527 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)Cc2ccccc21 ZINC001589398564 954384163 /nfs/dbraw/zinc/38/41/63/954384163.db2.gz DXPDEEHVKSEMJH-ZDUSSCGKSA-N 0 1 281.355 3.504 20 0 CHADMN CCc1nnc(CN2CCC[C@H]2CC2CCCCC2)o1 ZINC000127726556 1125463043 /nfs/dbraw/zinc/46/30/43/1125463043.db2.gz HVYJHJILZOYCCZ-AWEZNQCLSA-N 0 1 277.412 3.567 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000846280377 955704207 /nfs/dbraw/zinc/70/42/07/955704207.db2.gz CUDUIJXNQOJAQV-ULQDDVLXSA-N 0 1 287.403 3.509 20 0 CHADMN Cc1c(Cl)cccc1C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000901551672 956336071 /nfs/dbraw/zinc/33/60/71/956336071.db2.gz IUBFAYWUGKJOBR-CYBMUJFWSA-N 0 1 295.810 3.725 20 0 CHADMN C[C@H](C1CCCCC1)[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC001603118462 972197426 /nfs/dbraw/zinc/19/74/26/972197426.db2.gz AMJOLVLKCIVJSX-CYBMUJFWSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1cc(C)c(/C=C/C[N@@H+](CC(=O)[O-])C2CCC2)c(C)c1 ZINC000902045044 956628703 /nfs/dbraw/zinc/62/87/03/956628703.db2.gz PYIJIWYYDCILSB-VMPITWQZSA-N 0 1 287.403 3.564 20 0 CHADMN CCc1ccc2ccccc2c1C[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000903404520 956831236 /nfs/dbraw/zinc/83/12/36/956831236.db2.gz IIYCREVLMNIQTJ-CYBMUJFWSA-N 0 1 285.387 3.555 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@H]2c2ccsc2)CCC1 ZINC000903696665 956885044 /nfs/dbraw/zinc/88/50/44/956885044.db2.gz LDPXETAFDDUWFF-ZDUSSCGKSA-N 0 1 279.405 3.530 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CC[C@@H](C3CCCCC3)C2)CCC1 ZINC000903707385 956902367 /nfs/dbraw/zinc/90/23/67/956902367.db2.gz WCMQYRSXWOAFPJ-OAHLLOKOSA-N 0 1 279.424 3.534 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CCCC2CCCC2)C1 ZINC000923471011 957120699 /nfs/dbraw/zinc/12/06/99/957120699.db2.gz PTPBZDJMZPTWQI-MRXNPFEDSA-N 0 1 267.413 3.534 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1Cl ZINC000037598691 957314297 /nfs/dbraw/zinc/31/42/97/957314297.db2.gz QRDHEGBIWZHMDM-VIFPVBQESA-N 0 1 290.190 3.679 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+](Cc1cccs1)C(C)C ZINC000051361595 957504944 /nfs/dbraw/zinc/50/49/44/957504944.db2.gz PTRBDAIHXCZNPT-UHFFFAOYSA-N 0 1 293.388 3.758 20 0 CHADMN CC[N@@H+](Cc1cccc2ccccc21)C(C)(C)C(=O)[O-] ZINC000061177324 957578029 /nfs/dbraw/zinc/57/80/29/957578029.db2.gz GFYQCKQJJZFPAQ-UHFFFAOYSA-N 0 1 271.360 3.525 20 0 CHADMN C[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000062754026 957608843 /nfs/dbraw/zinc/60/88/43/957608843.db2.gz WKXPCDAZYFQHSF-SMDDNHRTSA-N 0 1 279.355 3.534 20 0 CHADMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(C(=O)[O-])sc1C ZINC000136275823 958897403 /nfs/dbraw/zinc/89/74/03/958897403.db2.gz NJTBESJBBYZBIK-JOYOIKCWSA-N 0 1 267.394 3.518 20 0 CHADMN O=C([O-])CCCC[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000181543637 959438258 /nfs/dbraw/zinc/43/82/58/959438258.db2.gz AGVCBRCLRQJLMD-UHFFFAOYSA-N 0 1 281.783 3.559 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000181590667 959441384 /nfs/dbraw/zinc/44/13/84/959441384.db2.gz QLVVGAMYBLDCRI-QGZVFWFLSA-N 0 1 289.419 3.729 20 0 CHADMN C[C@H]1C[C@@H]([N@@H+](CC(=O)[O-])C2CCC2)c2ccsc2S1 ZINC001594245682 959565589 /nfs/dbraw/zinc/56/55/89/959565589.db2.gz ZMKICWWQLDREOC-JOYOIKCWSA-N 0 1 297.445 3.613 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000213434091 959722151 /nfs/dbraw/zinc/72/21/51/959722151.db2.gz RBZYMWFHEGABDN-LBPRGKRZSA-N 0 1 267.394 3.601 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000223490024 959836795 /nfs/dbraw/zinc/83/67/95/959836795.db2.gz JXOQCKABDACCRK-CVEARBPZSA-N 0 1 289.419 3.961 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000227407587 959948201 /nfs/dbraw/zinc/94/82/01/959948201.db2.gz VEPTZCWNMMWMIY-ZWNOBZJWSA-N 0 1 281.421 3.765 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000227583857 959962615 /nfs/dbraw/zinc/96/26/15/959962615.db2.gz VBBRDKXEWZEVCF-WWGRRREGSA-N 0 1 289.419 3.840 20 0 CHADMN Cc1cc([C@@H](C)[NH2+]Cc2cc(C(=O)[O-])ccc2F)c(C)o1 ZINC000231030661 960183191 /nfs/dbraw/zinc/18/31/91/960183191.db2.gz ZVOAZXBXDZTFCE-SNVBAGLBSA-N 0 1 291.322 3.585 20 0 CHADMN Cc1nc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)oc1C ZINC000129775763 1125478063 /nfs/dbraw/zinc/47/80/63/1125478063.db2.gz HDTCNARZAPKHSW-DYVFJYSZSA-N 0 1 284.403 3.917 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccccc3)[C@H](C)C2)oc1C ZINC000129775763 1125478066 /nfs/dbraw/zinc/47/80/66/1125478066.db2.gz HDTCNARZAPKHSW-DYVFJYSZSA-N 0 1 284.403 3.917 20 0 CHADMN CCc1oc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc1C(=O)[O-] ZINC001332432496 961574696 /nfs/dbraw/zinc/57/46/96/961574696.db2.gz DFZSOAMCGIWRLG-OLZOCXBDSA-N 0 1 291.391 3.552 20 0 CHADMN Cc1ccc(-c2noc(CN3CC[C@H](C)[C@@H](C)C3)n2)cc1 ZINC000536591190 1125479432 /nfs/dbraw/zinc/47/94/32/1125479432.db2.gz AYRHKXPSJJSTFM-KBPBESRZSA-N 0 1 285.391 3.523 20 0 CHADMN CC(C)Oc1ccc(CN2CCC(CF)CC2)c(F)c1 ZINC001238451722 1117949633 /nfs/dbraw/zinc/94/96/33/1117949633.db2.gz NJGZCYAPUMSMPV-UHFFFAOYSA-N 0 1 283.362 3.794 20 0 CHADMN Cc1cc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)no1 ZINC000111306490 1125482117 /nfs/dbraw/zinc/48/21/17/1125482117.db2.gz JLNWQSICPDBKHV-CYBMUJFWSA-N 0 1 276.767 3.626 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111319097 1125482263 /nfs/dbraw/zinc/48/22/63/1125482263.db2.gz APEDLSFWHFKKJQ-MDFVCYEDSA-N 0 1 283.774 3.528 20 0 CHADMN Cc1ccccc1Cc1noc(CN(CC2CC2)C(C)C)n1 ZINC000532668109 1125482813 /nfs/dbraw/zinc/48/28/13/1125482813.db2.gz CMEDCLDWFJCMES-UHFFFAOYSA-N 0 1 299.418 3.589 20 0 CHADMN Cc1oc(C[N@H+](C)C[C@H]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC001353899424 962668538 /nfs/dbraw/zinc/66/85/38/962668538.db2.gz MROWHVUTDDZYRR-YPMHNXCESA-N 0 1 279.380 3.544 20 0 CHADMN CC(C)(C)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000307792483 963224096 /nfs/dbraw/zinc/22/40/96/963224096.db2.gz AVOWFJZYSYISJY-LBPRGKRZSA-N 0 1 293.382 3.782 20 0 CHADMN CC[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000312310532 963553039 /nfs/dbraw/zinc/55/30/39/963553039.db2.gz ZKTBTXVDEGAPOG-NWDGAFQWSA-N 0 1 279.355 3.534 20 0 CHADMN C[N@@H+](Cc1ccc2ccccc2c1)C1(C(=O)[O-])CCCC1 ZINC000314989230 963838959 /nfs/dbraw/zinc/83/89/59/963838959.db2.gz RHDCKERCLJZFQK-UHFFFAOYSA-N 0 1 283.371 3.669 20 0 CHADMN C[C@H](c1ccccc1F)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000315954750 963957939 /nfs/dbraw/zinc/95/79/39/963957939.db2.gz IRVBPAJBZPEXKH-WBMJQRKESA-N 0 1 299.345 3.571 20 0 CHADMN CC[C@@H]1CO[C@](C)(CCC(C)C)N1CCCCOC ZINC001209218842 1118016759 /nfs/dbraw/zinc/01/67/59/1118016759.db2.gz PZQXNYGJKAKSOY-HZPDHXFCSA-N 0 1 271.445 3.676 20 0 CHADMN C[C@H]1CN(Cc2ccc(Cl)cc2Cl)CCC[C@@H]1O ZINC001203388371 1118075038 /nfs/dbraw/zinc/07/50/38/1118075038.db2.gz CVVAEEKBFGAWLC-HZMBPMFUSA-N 0 1 288.218 3.586 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000062877297 967552245 /nfs/dbraw/zinc/55/22/45/967552245.db2.gz MDMFQMSBBZLVHH-HNNXBMFYSA-N 0 1 299.773 3.556 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C)c(Cl)c2)C1 ZINC000233984698 967749483 /nfs/dbraw/zinc/74/94/83/967749483.db2.gz ROEOOYOAYCVZHC-MRXNPFEDSA-N 0 1 295.810 3.725 20 0 CHADMN CC1(C)CCC(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])CC1 ZINC000311903857 967953526 /nfs/dbraw/zinc/95/35/26/967953526.db2.gz CUZIUGCZJSTQNL-CQSZACIVSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1ccc(C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)cc1C ZINC000317482675 970364262 /nfs/dbraw/zinc/36/42/62/970364262.db2.gz LFYGBBAHSAYASA-UHFFFAOYSA-N 0 1 295.382 3.560 20 0 CHADMN Cc1ccccc1[C@H](C)[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000317855860 970391688 /nfs/dbraw/zinc/39/16/88/970391688.db2.gz OEGOCDDRPDQOJI-AWEZNQCLSA-N 0 1 295.382 3.813 20 0 CHADMN CC(C)CC[N@@H+](C)Cc1cccc(C(=O)[O-])c1Cl ZINC000394275592 972695584 /nfs/dbraw/zinc/69/55/84/972695584.db2.gz ZLLKFYKXHZKHOW-UHFFFAOYSA-N 0 1 269.772 3.516 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000401431946 973364873 /nfs/dbraw/zinc/36/48/73/973364873.db2.gz IJWVCQOURRUXIX-KFWWJZLASA-N 0 1 267.413 3.532 20 0 CHADMN CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1CCCCC(=O)[O-] ZINC000530173209 974363007 /nfs/dbraw/zinc/36/30/07/974363007.db2.gz NQRURGNVFHHDFG-OAHLLOKOSA-N 0 1 293.382 3.649 20 0 CHADMN C[C@@H]1CC(C(=O)[O-])C[C@H](C)[N@@H+]1CC/C=C\c1ccccc1 ZINC000530175884 974363616 /nfs/dbraw/zinc/36/36/16/974363616.db2.gz QNOXLNCHPVACEU-MMSCENGMSA-N 0 1 287.403 3.664 20 0 CHADMN CCc1ccccc1CC[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC001603976639 974475000 /nfs/dbraw/zinc/47/50/00/974475000.db2.gz SAPZHRJSUFWKNJ-KRWDZBQOSA-N 0 1 289.419 3.511 20 0 CHADMN CCC[N@@H+](CC)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000565103719 974570388 /nfs/dbraw/zinc/57/03/88/974570388.db2.gz OUEOSUKRCWHZOL-LBPRGKRZSA-N 0 1 290.190 3.851 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+](CC)C1CCCCC1 ZINC000566015100 974593524 /nfs/dbraw/zinc/59/35/24/974593524.db2.gz IPELKOOCLSVDIZ-UHFFFAOYSA-N 0 1 279.380 3.695 20 0 CHADMN Cc1cc(F)ccc1C[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC000566363541 974610823 /nfs/dbraw/zinc/61/08/23/974610823.db2.gz OASNDFVLGRQREL-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN CC/C=C/CC[N@@H+](CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000566748547 974620946 /nfs/dbraw/zinc/62/09/46/974620946.db2.gz MTRKVTQREXPPKF-JFDDCEBESA-N 0 1 275.392 3.881 20 0 CHADMN CC1CCC([N@@H+](Cc2ccc(C(=O)[O-])o2)C2CC2)CC1 ZINC000568060672 974657041 /nfs/dbraw/zinc/65/70/41/974657041.db2.gz KEOPNSPVMPNKPK-UHFFFAOYSA-N 0 1 277.364 3.521 20 0 CHADMN C[C@@H](C[N@@H+](C/C=C/c1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000568073579 974660409 /nfs/dbraw/zinc/66/04/09/974660409.db2.gz GAAWWSCDFVIJNY-JDGPPOGSSA-N 0 1 293.794 3.538 20 0 CHADMN CCC[N@@H+](CC1CCCCC1)[C@H](CC(C)C)C(=O)[O-] ZINC000568281310 974663914 /nfs/dbraw/zinc/66/39/14/974663914.db2.gz GXVFZEVGCWWBCN-OAHLLOKOSA-N 0 1 269.429 3.778 20 0 CHADMN Cc1ccc2ccccc2c1C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000568289210 974666279 /nfs/dbraw/zinc/66/62/79/974666279.db2.gz UZCBNNSWHVGTTC-UHFFFAOYSA-N 0 1 297.398 3.977 20 0 CHADMN Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])o2)c1 ZINC000570220397 974707744 /nfs/dbraw/zinc/70/77/44/974707744.db2.gz VKDIBPKPEOTQLV-OAHLLOKOSA-N 0 1 285.343 3.623 20 0 CHADMN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CC1CCCCC1 ZINC000570345612 974710136 /nfs/dbraw/zinc/71/01/36/974710136.db2.gz QTKMIJPYKDTSDC-IRXDYDNUSA-N 0 1 287.403 3.857 20 0 CHADMN C[C@H](C(=O)[O-])[N@H+](C[C@@H](C)C1CCCCC1)C1CCC1 ZINC000572618753 974751737 /nfs/dbraw/zinc/75/17/37/974751737.db2.gz IEQXPJRQNQDHFB-CHWSQXEVSA-N 0 1 267.413 3.530 20 0 CHADMN Cc1cc([C@H](C)[N@H+]2CC[C@H](C)C(C)(C)C2)oc1C(=O)[O-] ZINC000579248518 974871541 /nfs/dbraw/zinc/87/15/41/974871541.db2.gz OCQPKCYFOYPLIQ-RYUDHWBXSA-N 0 1 279.380 3.715 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@@H]2c2ccccc2C)cc1C(=O)[O-] ZINC000579961170 974885701 /nfs/dbraw/zinc/88/57/01/974885701.db2.gz AFNUBNGLERQHFA-QGZVFWFLSA-N 0 1 299.370 3.932 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000583636182 974943875 /nfs/dbraw/zinc/94/38/75/974943875.db2.gz LNHWJXWPUVXTFS-SJLPKXTDSA-N 0 1 289.419 3.539 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](C)C1CCCCC1 ZINC000629371899 975087922 /nfs/dbraw/zinc/08/79/22/975087922.db2.gz QXXHUAWYXHPCSP-ZFWWWQNUSA-N 0 1 269.429 3.778 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2C)C1 ZINC000629376224 975090211 /nfs/dbraw/zinc/09/02/11/975090211.db2.gz SASSSUMQODDKNW-JUPLKNRCSA-N 0 1 287.403 3.799 20 0 CHADMN CCC[N@@H+](Cc1ccc(F)cc1)[C@H](CC(C)C)C(=O)[O-] ZINC000629483641 975092693 /nfs/dbraw/zinc/09/26/93/975092693.db2.gz ISDCQNSUHHSDHD-OAHLLOKOSA-N 0 1 281.371 3.537 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000629484711 975093780 /nfs/dbraw/zinc/09/37/80/975093780.db2.gz MHJNCRZPQZKPNB-ZFWWWQNUSA-N 0 1 295.810 3.629 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000629484708 975093888 /nfs/dbraw/zinc/09/38/88/975093888.db2.gz MHJNCRZPQZKPNB-DZGCQCFKSA-N 0 1 295.810 3.629 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000634697723 975275286 /nfs/dbraw/zinc/27/52/86/975275286.db2.gz QAVRVHHAPXYHIR-JSGCOSHPSA-N 0 1 291.391 3.941 20 0 CHADMN CC[N@H+](Cc1ccc(Cl)s1)Cc1occc1C(=O)[O-] ZINC000652377027 975515678 /nfs/dbraw/zinc/51/56/78/975515678.db2.gz SFBACRSCHONISK-UHFFFAOYSA-N 0 1 299.779 3.715 20 0 CHADMN CC[N@@H+](Cc1ccc(Cl)s1)Cc1occc1C(=O)[O-] ZINC000652377027 975515686 /nfs/dbraw/zinc/51/56/86/975515686.db2.gz SFBACRSCHONISK-UHFFFAOYSA-N 0 1 299.779 3.715 20 0 CHADMN CCC[N@@H+](Cc1occc1C(=O)[O-])Cc1ccc(C)cc1 ZINC000652378547 975516964 /nfs/dbraw/zinc/51/69/64/975516964.db2.gz RDKNDZGMYRYMAE-UHFFFAOYSA-N 0 1 287.359 3.698 20 0 CHADMN C[C@H](c1ccco1)[N@H+](C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000652389240 975518191 /nfs/dbraw/zinc/51/81/91/975518191.db2.gz HAOSKLAMEXYUKC-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000652389240 975518196 /nfs/dbraw/zinc/51/81/96/975518196.db2.gz HAOSKLAMEXYUKC-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@H]2C2CCC2)c(F)c1 ZINC000652415471 975526574 /nfs/dbraw/zinc/52/65/74/975526574.db2.gz VOVYPHSAXLLPEI-INIZCTEOSA-N 0 1 291.366 3.679 20 0 CHADMN CCC[C@]1(C)CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000652419418 975528082 /nfs/dbraw/zinc/52/80/82/975528082.db2.gz UQFBZBQFVGGUCF-DOTOQJQBSA-N 0 1 293.382 3.854 20 0 CHADMN O=C([O-])C[C@H]1CCCC[N@H+]1C/C=C\c1ccc(Cl)cc1 ZINC000652463888 975541311 /nfs/dbraw/zinc/54/13/11/975541311.db2.gz ZKVPCJFPGPPSTC-ABCZVMIZSA-N 0 1 293.794 3.682 20 0 CHADMN C[C@@H](C[N@@H+](CC(=O)[O-])C1CCCCC1)C1CCCCC1 ZINC000652482180 975550513 /nfs/dbraw/zinc/55/05/13/975550513.db2.gz QVBTUGLPQBSXRV-AWEZNQCLSA-N 0 1 281.440 3.922 20 0 CHADMN O=C([O-])c1cccc2c1C[N@@H+](CCC1CCCCC1)CC2 ZINC000652487324 975555140 /nfs/dbraw/zinc/55/51/40/975555140.db2.gz ASRZGIJJGOLBEB-UHFFFAOYSA-N 0 1 287.403 3.713 20 0 CHADMN O=C([O-])C[N@@H+](CCCC1CCC1)Cc1ccc(Cl)cc1 ZINC000656756166 975684021 /nfs/dbraw/zinc/68/40/21/975684021.db2.gz HVFWQOCYQVVSER-UHFFFAOYSA-N 0 1 295.810 3.807 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)cc1 ZINC000656760578 975688516 /nfs/dbraw/zinc/68/85/16/975688516.db2.gz DUZAQOGWMYUUBZ-QGZVFWFLSA-N 0 1 287.403 3.787 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1cccc(C2CCCC2)c1 ZINC000665331455 975958041 /nfs/dbraw/zinc/95/80/41/975958041.db2.gz STBDGVJPJWJHAK-UHFFFAOYSA-N 0 1 275.392 3.641 20 0 CHADMN C[C@H](c1cccs1)[N@@H+](C)Cc1cc(C(=O)[O-])cs1 ZINC000711379410 977538770 /nfs/dbraw/zinc/53/87/70/977538770.db2.gz SZNSELCSMYHNMA-SECBINFHSA-N 0 1 281.402 3.701 20 0 CHADMN C[C@H]1CC[C@H](NCc2nc(C(C)(C)C)cs2)CS1 ZINC000655713349 1118190890 /nfs/dbraw/zinc/19/08/90/1118190890.db2.gz YYKWPMZRLLAGDQ-QWRGUYRKSA-N 0 1 284.494 3.814 20 0 CHADMN CCN(Cc1ccncc1)Cc1cccc(Cl)c1 ZINC000027461214 1118211172 /nfs/dbraw/zinc/21/11/72/1118211172.db2.gz JKTQEQSYNUDRFL-UHFFFAOYSA-N 0 1 260.768 3.757 20 0 CHADMN C[N@@H+](Cc1csc(C(=O)[O-])c1)C1CCCCCCC1 ZINC000846243115 979419850 /nfs/dbraw/zinc/41/98/50/979419850.db2.gz AYSNSFHMORNBRY-UHFFFAOYSA-N 0 1 281.421 3.991 20 0 CHADMN CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C/C=C(\C)C(=O)[O-] ZINC000846244004 979420871 /nfs/dbraw/zinc/42/08/71/979420871.db2.gz RTHKBQISRHJIJS-RVSUXWIQSA-N 0 1 287.403 3.676 20 0 CHADMN C/C(=C/C[N@H+]1CCCC[C@H]1c1cccc(C)c1C)C(=O)[O-] ZINC000846252029 979425692 /nfs/dbraw/zinc/42/56/92/979425692.db2.gz SJXRVBBPAVPRHB-QXSWTLKVSA-N 0 1 287.403 3.861 20 0 CHADMN C/C(=C\C[N@H+]1CCC[C@H]1CCCc1ccccc1)C(=O)[O-] ZINC000846255055 979427110 /nfs/dbraw/zinc/42/71/10/979427110.db2.gz SUSOOJGJGYKRDC-OKACTXMXSA-N 0 1 287.403 3.505 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccccc1CC(=O)[O-] ZINC000846255995 979427895 /nfs/dbraw/zinc/42/78/95/979427895.db2.gz WXNAPOJJVITZDJ-WMLDXEAASA-N 0 1 289.419 3.714 20 0 CHADMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cccc(C3CCCC3)c2)C1 ZINC000854238620 979606995 /nfs/dbraw/zinc/60/69/95/979606995.db2.gz FPCHJUQDHJJDPP-SFHVURJKSA-N 0 1 287.403 3.641 20 0 CHADMN Cc1nc(C)c(CN(C)[C@@H](C)c2ccc(C)cc2)o1 ZINC000683898144 1118433196 /nfs/dbraw/zinc/43/31/96/1118433196.db2.gz FPXPQKLMVZHSLF-ZDUSSCGKSA-N 0 1 258.365 3.793 20 0 CHADMN CC[N@@H+](CCc1ccccc1)Cc1ccc(C)c(C(=O)[O-])c1 ZINC000872157583 980040125 /nfs/dbraw/zinc/04/01/25/980040125.db2.gz SQUJYPPOYXLKQV-UHFFFAOYSA-N 0 1 297.398 3.758 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC000872159747 980045582 /nfs/dbraw/zinc/04/55/82/980045582.db2.gz ZEAQHLMPGUJGSR-OAHLLOKOSA-N 0 1 281.421 3.849 20 0 CHADMN C[C@H](C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1)CC(C)(C)C ZINC000872160636 980046960 /nfs/dbraw/zinc/04/69/60/980046960.db2.gz KBLUQVSICCYHMZ-ZDUSSCGKSA-N 0 1 289.419 3.815 20 0 CHADMN C[C@@H]1C[N@@H+](CCc2ccccc2C(=O)[O-])Cc2ccccc21 ZINC000872166429 980061576 /nfs/dbraw/zinc/06/15/76/980061576.db2.gz IFCQWJWPROPSBT-CQSZACIVSA-N 0 1 295.382 3.547 20 0 CHADMN CC[C@H]1CCCCC[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000901433036 980281172 /nfs/dbraw/zinc/28/11/72/980281172.db2.gz FWLQAILBVAKARM-XPSMFNQNSA-N 0 1 277.364 3.532 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)[C@@H]1C ZINC000901438807 980287596 /nfs/dbraw/zinc/28/75/96/980287596.db2.gz ZOPFTYVCWCAOAQ-CHWSQXEVSA-N 0 1 299.370 3.875 20 0 CHADMN CC(C)C1(C[N@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])CC1 ZINC000901579128 980390647 /nfs/dbraw/zinc/39/06/47/980390647.db2.gz QHNTVVNWGVOCGO-HNNXBMFYSA-N 0 1 289.419 3.646 20 0 CHADMN C[C@H]1CCC[C@H](C[N@H+]2CCc3cc(C(=O)[O-])ccc3C2)C1 ZINC000901668374 980435097 /nfs/dbraw/zinc/43/50/97/980435097.db2.gz DNKBPYFZYODBBC-KBPBESRZSA-N 0 1 287.403 3.569 20 0 CHADMN CC(C)(C)c1cnc(CN[C@@H]2CCC(F)(F)C2)s1 ZINC000684110497 1118522389 /nfs/dbraw/zinc/52/23/89/1118522389.db2.gz SQNBQJXFWJERTE-SECBINFHSA-N 0 1 274.380 3.718 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1cc(C)co1 ZINC001595362329 980770372 /nfs/dbraw/zinc/77/03/72/980770372.db2.gz BAEMYQCLYXIXNA-MRXNPFEDSA-N 0 1 287.359 3.626 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cc(C)co1 ZINC001595362329 980770375 /nfs/dbraw/zinc/77/03/75/980770375.db2.gz BAEMYQCLYXIXNA-MRXNPFEDSA-N 0 1 287.359 3.626 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CC)Cc1ccc(C(=O)[O-])o1 ZINC001595363317 980780942 /nfs/dbraw/zinc/78/09/42/980780942.db2.gz DXPCSOSJFKWYNS-OAHLLOKOSA-N 0 1 287.359 3.951 20 0 CHADMN C[C@H]1C[N@@H+](CCC(C)(C)C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000902321904 980830839 /nfs/dbraw/zinc/83/08/39/980830839.db2.gz NSUDESPSHSOCNC-GOEBONIOSA-N 0 1 289.419 3.613 20 0 CHADMN Cc1oc(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)cc1C(=O)[O-] ZINC000902327827 980834753 /nfs/dbraw/zinc/83/47/53/980834753.db2.gz XKJKNBSOVCOLSB-HNNXBMFYSA-N 0 1 299.370 3.584 20 0 CHADMN CCC1(CC)CC[N@@H+](Cc2ccc(C(=O)[O-])c(C)c2)C1 ZINC001595374914 980889615 /nfs/dbraw/zinc/88/96/15/980889615.db2.gz DFAOJUNJNUNNID-UHFFFAOYSA-N 0 1 275.392 3.705 20 0 CHADMN CCc1oc(C[N@H+]([C@H](C)[C@@H](C)CC)C2CC2)cc1C(=O)[O-] ZINC000902516491 980916429 /nfs/dbraw/zinc/91/64/29/980916429.db2.gz GHAPYKQUQMIQII-NWDGAFQWSA-N 0 1 293.407 3.939 20 0 CHADMN Cc1ccc(C[C@H]2CCC[N@H+]2CCC(C)(C)C(=O)[O-])cc1 ZINC000902516766 980916588 /nfs/dbraw/zinc/91/65/88/980916588.db2.gz KZHHJVVYMHRNHF-MRXNPFEDSA-N 0 1 289.419 3.503 20 0 CHADMN C[N@@H+](Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)C1CCC1 ZINC000902518644 980917413 /nfs/dbraw/zinc/91/74/13/980917413.db2.gz PGXLDAMGKKASHR-UHFFFAOYSA-N 0 1 285.343 3.629 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])c(CC)o1 ZINC000902532146 980924563 /nfs/dbraw/zinc/92/45/63/980924563.db2.gz XDRGTJAKEMCDFL-IUODEOHRSA-N 0 1 293.407 3.941 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])c(CC)o1 ZINC000902532148 980924688 /nfs/dbraw/zinc/92/46/88/980924688.db2.gz XDRGTJAKEMCDFL-SWLSCSKDSA-N 0 1 293.407 3.941 20 0 CHADMN CC[C@H](c1ccccc1OC)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000902542854 980927184 /nfs/dbraw/zinc/92/71/84/980927184.db2.gz JCKCSFMMNXXFAC-CQSZACIVSA-N 0 1 293.407 3.579 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3ccoc3C(=O)[O-])C2)cc1 ZINC000902545749 980928168 /nfs/dbraw/zinc/92/81/68/980928168.db2.gz KWVFBYWDKSWLFL-CZUORRHYSA-N 0 1 299.370 3.664 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@H+](CC1CCC3(CC3)CC1)CC2 ZINC000903901608 981028900 /nfs/dbraw/zinc/02/89/00/981028900.db2.gz LVKNOTMTIJGKBR-UHFFFAOYSA-N 0 1 299.414 3.713 20 0 CHADMN CC(C)c1ccccc1C[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000903906540 981031690 /nfs/dbraw/zinc/03/16/90/981031690.db2.gz CXKRIOVIRCJNDK-ZDUSSCGKSA-N 0 1 275.392 3.638 20 0 CHADMN CC[C@@H]1CCC[C@@H](C[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2)C1 ZINC001595432243 981056472 /nfs/dbraw/zinc/05/64/72/981056472.db2.gz LYZGDOWKTUDAPK-INMHGKMJSA-N 0 1 289.419 3.961 20 0 CHADMN CC[C@@H]1CCCC[C@H]1C[N@@H+](CCC(F)(F)F)CC(=O)[O-] ZINC001595440232 981076498 /nfs/dbraw/zinc/07/64/98/981076498.db2.gz IPUUOLWVTBZCGP-NEPJUHHUSA-N 0 1 295.345 3.542 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1csc(C(=O)[O-])c1 ZINC001595444811 981090917 /nfs/dbraw/zinc/09/09/17/981090917.db2.gz USMHUIFXVNXPAF-OLZOCXBDSA-N 0 1 281.421 3.847 20 0 CHADMN CCOC1CCC(Nc2nc(C)ccc2CC)CC1 ZINC000668477520 1118594512 /nfs/dbraw/zinc/59/45/12/1118594512.db2.gz BGVFOTKCWXPABO-UHFFFAOYSA-N 0 1 262.397 3.712 20 0 CHADMN CCCC1CCC([N@@H+](C)Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC001595620985 981694938 /nfs/dbraw/zinc/69/49/38/981694938.db2.gz ZLOWYUCILHYYGH-UHFFFAOYSA-N 0 1 278.396 3.504 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001595690174 982192631 /nfs/dbraw/zinc/19/26/31/982192631.db2.gz KBXQAWXHUDGGPM-XHSDSOJGSA-N 0 1 281.440 3.922 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC001595690707 982200262 /nfs/dbraw/zinc/20/02/62/982200262.db2.gz TXFHPUGIZOXKSJ-CYBMUJFWSA-N 0 1 281.421 3.991 20 0 CHADMN C[N@@H+](CCSCc1ccccc1)Cc1ccoc1 ZINC000430743788 1118765611 /nfs/dbraw/zinc/76/56/11/1118765611.db2.gz LINFGACHKRPVEE-UHFFFAOYSA-N 0 1 261.390 3.645 20 0 CHADMN CN(CCSCc1ccccc1)Cc1ccoc1 ZINC000430743788 1118765615 /nfs/dbraw/zinc/76/56/15/1118765615.db2.gz LINFGACHKRPVEE-UHFFFAOYSA-N 0 1 261.390 3.645 20 0 CHADMN CCCc1ccc(C[N@@H+](C2CC2)C2(C(=O)[O-])CCC2)cc1 ZINC001596062292 983371473 /nfs/dbraw/zinc/37/14/73/983371473.db2.gz DQIFXBJYJXDXFF-UHFFFAOYSA-N 0 1 287.403 3.611 20 0 CHADMN COC[C@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000119957215 1119028244 /nfs/dbraw/zinc/02/82/44/1119028244.db2.gz NFDVNVVSOHAAPX-NSHDSACASA-N 0 1 288.218 3.852 20 0 CHADMN Cc1nnc([C@H](C)NCC2(c3ccccc3)CCCC2)o1 ZINC000112519192 1125486762 /nfs/dbraw/zinc/48/67/62/1125486762.db2.gz BOJROGJVQULESK-ZDUSSCGKSA-N 0 1 285.391 3.541 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1ccccc1-c1ccccc1 ZINC001596314702 983744947 /nfs/dbraw/zinc/74/49/47/983744947.db2.gz CIBUPPQUQRBUNW-UHFFFAOYSA-N 0 1 283.371 3.650 20 0 CHADMN CC[N@@H+](CCC1CC1)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001596320608 983751195 /nfs/dbraw/zinc/75/11/95/983751195.db2.gz FDAUXZDRLIVSAB-AWEZNQCLSA-N 0 1 299.773 3.727 20 0 CHADMN COCc1cc(CN[C@H](C)c2ccccc2F)ccc1F ZINC000112545755 1125488311 /nfs/dbraw/zinc/48/83/11/1125488311.db2.gz FRGILXFMBOPOGT-GFCCVEGCSA-N 0 1 291.341 3.962 20 0 CHADMN CC[N@@H+](Cc1cc(C(C)C)ccc1OC)C(C)(C)C(=O)[O-] ZINC001596355736 983821144 /nfs/dbraw/zinc/82/11/44/983821144.db2.gz BIPROWSDORNLCZ-UHFFFAOYSA-N 0 1 293.407 3.504 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])s1)[C@H]1CCCC[C@H]1C ZINC001596357584 983828506 /nfs/dbraw/zinc/82/85/06/983828506.db2.gz JDGMLTPDZXKSJF-YPMHNXCESA-N 0 1 281.421 3.847 20 0 CHADMN FC1(F)C[C@H]1OCCNCc1cccc(Cl)c1Cl ZINC000657618051 1119209619 /nfs/dbraw/zinc/20/96/19/1119209619.db2.gz HTPZBQBQQKFXLE-SNVBAGLBSA-N 0 1 296.144 3.507 20 0 CHADMN CSc1ccc(Cl)cc1C[N@H+]1CCC[C@]12CCOC2 ZINC001238678187 1131230513 /nfs/dbraw/zinc/23/05/13/1131230513.db2.gz VPJQEZIJUQMBTQ-OAHLLOKOSA-N 0 1 297.851 3.817 20 0 CHADMN CSc1ccc(Cl)cc1CN1CCC[C@]12CCOC2 ZINC001238678187 1131230519 /nfs/dbraw/zinc/23/05/19/1131230519.db2.gz VPJQEZIJUQMBTQ-OAHLLOKOSA-N 0 1 297.851 3.817 20 0 CHADMN C[C@H]1C[C@H]([N@@H+](C)C(C)(C)CC(=O)[O-])c2ccsc2S1 ZINC001599905773 984921037 /nfs/dbraw/zinc/92/10/37/984921037.db2.gz VLHORRUDSNSHPU-ONGXEEELSA-N 0 1 299.461 3.859 20 0 CHADMN CC[C@@H](NCc1cscc1C)c1ccc(F)cn1 ZINC000131370587 1125492682 /nfs/dbraw/zinc/49/26/82/1125492682.db2.gz MNRPODOAFUGXMG-CYBMUJFWSA-N 0 1 264.369 3.832 20 0 CHADMN CCc1cnc(CN(C)C[C@H](C)CC2CCOCC2)s1 ZINC000349974085 1119457913 /nfs/dbraw/zinc/45/79/13/1119457913.db2.gz LNRONVQGFGTVAX-CYBMUJFWSA-N 0 1 296.480 3.590 20 0 CHADMN COc1ccc(CN2CCS[C@@H](C)[C@@H]2C)cc1Cl ZINC000343748249 1119501123 /nfs/dbraw/zinc/50/11/23/1119501123.db2.gz WADBRGFHQZXPIM-QWRGUYRKSA-N 0 1 285.840 3.674 20 0 CHADMN CN(Cc1ccsc1)Cc1cccc(OC(F)F)c1 ZINC000050958971 1119589795 /nfs/dbraw/zinc/58/97/95/1119589795.db2.gz JRFKBWAWZCBUMU-UHFFFAOYSA-N 0 1 283.343 3.982 20 0 CHADMN c1ccc2c(c1)oc1c2CCN(CCC2CCOCC2)C1 ZINC001202668845 1125496822 /nfs/dbraw/zinc/49/68/22/1125496822.db2.gz OZWKEUMKFQLVAR-UHFFFAOYSA-N 0 1 285.387 3.608 20 0 CHADMN CCc1[nH]c(C[N@H+]2CCC[C@H]2CCC(C)C)cc1C(=O)[O-] ZINC001597386750 987607492 /nfs/dbraw/zinc/60/74/92/987607492.db2.gz OEVIMRJTDQCELD-AWEZNQCLSA-N 0 1 292.423 3.676 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CCC[C@H](CO)CC1 ZINC000339751386 1119735078 /nfs/dbraw/zinc/73/50/78/1119735078.db2.gz TWHMLNPJQDQCEK-NEPJUHHUSA-N 0 1 285.790 3.635 20 0 CHADMN CC(C)(C)C1=CC[N@@H+]([C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC001589726531 987909266 /nfs/dbraw/zinc/90/92/66/987909266.db2.gz ISTRATCBCSQMIU-HNNXBMFYSA-N 0 1 291.366 3.630 20 0 CHADMN CC(C)(C)C1=CC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC001589726531 987909275 /nfs/dbraw/zinc/90/92/75/987909275.db2.gz ISTRATCBCSQMIU-HNNXBMFYSA-N 0 1 291.366 3.630 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc(C)sc2C)sn1 ZINC000404402287 1119752563 /nfs/dbraw/zinc/75/25/63/1119752563.db2.gz AABYACSBCDDZTJ-JTQLQIEISA-N 0 1 266.435 3.981 20 0 CHADMN CC(C)(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001589764365 988101469 /nfs/dbraw/zinc/10/14/69/988101469.db2.gz IHNKXHZVUNUYCW-RRFJBIMHSA-N 0 1 281.440 3.636 20 0 CHADMN CC(C)(C)[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)[O-])n1 ZINC001589796562 988196707 /nfs/dbraw/zinc/19/67/07/988196707.db2.gz STQSIGBFFSHSAS-UHFFFAOYSA-N 0 1 298.386 3.581 20 0 CHADMN CCc1ccccc1C[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC001597609513 988497052 /nfs/dbraw/zinc/49/70/52/988497052.db2.gz PPMQFLAYTZSGIY-QGZVFWFLSA-N 0 1 283.371 3.507 20 0 CHADMN CC(C)CCC1CCN(Cc2cccc(F)n2)CC1 ZINC001167691601 1119835667 /nfs/dbraw/zinc/83/56/67/1119835667.db2.gz ZARSQBDKJBZFNM-UHFFFAOYSA-N 0 1 264.388 3.869 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC001597761668 989191838 /nfs/dbraw/zinc/19/18/38/989191838.db2.gz QSSNSCBIIWHAQB-DGCLKSJQSA-N 0 1 279.380 3.551 20 0 CHADMN CCc1oc(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC001597792685 989334588 /nfs/dbraw/zinc/33/45/88/989334588.db2.gz FAKOLFXJPIFMCS-RYUDHWBXSA-N 0 1 279.380 3.551 20 0 CHADMN CCCCN1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000376524866 1120029213 /nfs/dbraw/zinc/02/92/13/1120029213.db2.gz AMVKQKJRSXKZAN-JTQLQIEISA-N 0 1 291.317 3.502 20 0 CHADMN CC(C)[C@@H]1[C@@H](C(C)C)C[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC001591096649 991691562 /nfs/dbraw/zinc/69/15/62/991691562.db2.gz NMNBLKLSEJFOLU-GDBMZVCRSA-N 0 1 293.382 3.636 20 0 CHADMN CC(C)C[C@@H]1CCC[N@H+]([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001591207618 992043166 /nfs/dbraw/zinc/04/31/66/992043166.db2.gz STJDKDMEFPPZKA-NEPJUHHUSA-N 0 1 296.436 3.660 20 0 CHADMN CC(C)CCCC[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC001591237194 992121898 /nfs/dbraw/zinc/12/18/98/992121898.db2.gz YMUMAJYIIIMZAQ-UHFFFAOYSA-N 0 1 271.445 3.882 20 0 CHADMN CC(C)C[N@@H+](C[C@@H]1CCCC[C@@H]1C(=O)[O-])C1CCCC1 ZINC001591322294 992293705 /nfs/dbraw/zinc/29/37/05/992293705.db2.gz WHENQZSJXQVQAM-HOCLYGCPSA-N 0 1 281.440 3.778 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CC[C@H](C(F)F)C1 ZINC000677732013 1120253335 /nfs/dbraw/zinc/25/33/35/1120253335.db2.gz WQYYVFFWSBPVOS-BDAKNGLRSA-N 0 1 261.262 3.613 20 0 CHADMN CCc1c(C)[nH]n(-c2ccc(Cl)cc2Cl)c1=O ZINC000103316175 1120249718 /nfs/dbraw/zinc/24/97/18/1120249718.db2.gz BAJNDNLQUVCZQK-SECBINFHSA-N 0 1 271.147 3.742 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])o1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001598516151 992619207 /nfs/dbraw/zinc/61/92/07/992619207.db2.gz DZGKVRGPRPINBB-CHWSQXEVSA-N 0 1 279.380 3.624 20 0 CHADMN Cc1ccc(CN[C@H](C)c2csc(Cl)c2)cn1 ZINC000230408134 1120271869 /nfs/dbraw/zinc/27/18/69/1120271869.db2.gz PQTMLDKYOJOKDG-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1scnc1C1CC1 ZINC000355190665 1120277330 /nfs/dbraw/zinc/27/73/30/1120277330.db2.gz AGMFOTCGIUEDAW-PSASIEDQSA-N 0 1 290.354 3.793 20 0 CHADMN CC(C)=CCCN(C)Cc1nc2c(s1)CCCC2 ZINC000659982306 1120323123 /nfs/dbraw/zinc/32/31/23/1120323123.db2.gz JSTQALCOXVQEEC-UHFFFAOYSA-N 0 1 264.438 3.810 20 0 CHADMN CC[C@@](C)(NC[C@@H](OC)C1CCCCC1)c1nccs1 ZINC000660080304 1120368362 /nfs/dbraw/zinc/36/83/62/1120368362.db2.gz ZZESBMIUIZXZIT-GDBMZVCRSA-N 0 1 296.480 3.953 20 0 CHADMN C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)c1ccc(C(=O)[O-])o1 ZINC001593354589 994994725 /nfs/dbraw/zinc/99/47/25/994994725.db2.gz UIIXLWOAXPTXBK-RKDXNWHRSA-N 0 1 295.285 3.668 20 0 CHADMN CO[C@@H](CN[C@H](C)c1csc(C(C)C)n1)CC(C)C ZINC000417380319 1120439860 /nfs/dbraw/zinc/43/98/60/1120439860.db2.gz UTMDWRKWZGTHHN-CHWSQXEVSA-N 0 1 284.469 3.978 20 0 CHADMN CO[C@@H](CN[C@H](C)c1nc(C)cs1)C1CCCCC1 ZINC000660266151 1120474578 /nfs/dbraw/zinc/47/45/78/1120474578.db2.gz NRTDGWSIFITTBP-OCCSQVGLSA-N 0 1 282.453 3.697 20 0 CHADMN CC(C)C[C@H](C)COc1ccccc1-c1nnc[nH]1 ZINC000499981875 1120568987 /nfs/dbraw/zinc/56/89/87/1120568987.db2.gz VIPWKHAOMPBYHG-LBPRGKRZSA-N 0 1 259.353 3.533 20 0 CHADMN C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1occc1C(=O)[O-] ZINC001593687284 996126594 /nfs/dbraw/zinc/12/65/94/996126594.db2.gz PPVUTIOMZYAIPT-NSHDSACASA-N 0 1 299.326 3.917 20 0 CHADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC001593732004 996306949 /nfs/dbraw/zinc/30/69/49/996306949.db2.gz LNLZGRGFXSRVNG-SNVBAGLBSA-N 0 1 294.420 3.581 20 0 CHADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC001593732004 996306953 /nfs/dbraw/zinc/30/69/53/996306953.db2.gz LNLZGRGFXSRVNG-SNVBAGLBSA-N 0 1 294.420 3.581 20 0 CHADMN CC1(C)C[N@H+](Cc2occc2C(=O)[O-])[C@H]1c1cccs1 ZINC001593945005 996984747 /nfs/dbraw/zinc/98/47/47/996984747.db2.gz LGECDSGKLYHTST-ZDUSSCGKSA-N 0 1 291.372 3.622 20 0 CHADMN CC1(C)C[N@@H+](Cc2occc2C(=O)[O-])[C@H]1c1cccs1 ZINC001593945005 996984756 /nfs/dbraw/zinc/98/47/56/996984756.db2.gz LGECDSGKLYHTST-ZDUSSCGKSA-N 0 1 291.372 3.622 20 0 CHADMN Cc1ccccc1C1(NCc2cncs2)CCC1 ZINC000651862595 1120764407 /nfs/dbraw/zinc/76/44/07/1120764407.db2.gz YWEGEZBQNRQUJN-UHFFFAOYSA-N 0 1 258.390 3.621 20 0 CHADMN COCc1nc(CN2CCC(C)(C)CC(C)(C)C2)cs1 ZINC000661627244 1120787491 /nfs/dbraw/zinc/78/74/91/1120787491.db2.gz ORZZTAMHGHFYGC-UHFFFAOYSA-N 0 1 296.480 3.938 20 0 CHADMN CC(C)[C@H](N)c1noc(C2CCCCCCC2)n1 ZINC000086581840 1120898104 /nfs/dbraw/zinc/89/81/04/1120898104.db2.gz LCJXFTSKPPUWMS-LBPRGKRZSA-N 0 1 251.374 3.553 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCCCCC(=O)[O-] ZINC000071286993 1120985828 /nfs/dbraw/zinc/98/58/28/1120985828.db2.gz GANXJBYHULMZKD-LBPRGKRZSA-N 0 1 283.799 3.978 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](C[C@@H](C)C2CCCCC2)C1 ZINC000313510619 1121003254 /nfs/dbraw/zinc/00/32/54/1121003254.db2.gz KARUDQUHDOUMLW-RHSMWYFYSA-N 0 1 281.440 3.636 20 0 CHADMN CCCCCC[C@@H](CC)CN(C)Cc1ncccn1 ZINC001174852596 1121065418 /nfs/dbraw/zinc/06/54/18/1121065418.db2.gz DMFHRVRCIZHQRT-OAHLLOKOSA-N 0 1 263.429 3.905 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCCCC(=O)[O-] ZINC001594270101 999043655 /nfs/dbraw/zinc/04/36/55/999043655.db2.gz PYZKDMFKHNNTJN-IJEWVQPXSA-N 0 1 275.392 3.508 20 0 CHADMN COCC1=CCN(Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000893681276 1121164119 /nfs/dbraw/zinc/16/41/19/1121164119.db2.gz HDFDUBMBMLYAMD-UHFFFAOYSA-N 0 1 285.309 3.542 20 0 CHADMN C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)C1 ZINC001594345378 999306810 /nfs/dbraw/zinc/30/68/10/999306810.db2.gz BAKABRXUAOLQDI-XAJHFOFHSA-N 0 1 293.451 3.778 20 0 CHADMN Cc1cccc(C(F)(F)F)c1NC1=CCCN(C)C1 ZINC001175580273 1121397886 /nfs/dbraw/zinc/39/78/86/1121397886.db2.gz XTAFZVZDFWVGKT-UHFFFAOYSA-N 0 1 270.298 3.645 20 0 CHADMN C[C@H](C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1)CC(C)(C)C ZINC000709275029 1121470382 /nfs/dbraw/zinc/47/03/82/1121470382.db2.gz COCLPVDQMXKERF-UONOGXRCSA-N 0 1 283.456 3.882 20 0 CHADMN FC(F)(F)c1ccc(CN2CCCC(F)(F)CC2)nc1 ZINC000625770231 1121491619 /nfs/dbraw/zinc/49/16/19/1121491619.db2.gz ILYQHQPSLYZJMP-UHFFFAOYSA-N 0 1 294.267 3.722 20 0 CHADMN Clc1cccc2c1OC[C@H]2NCc1ccccc1 ZINC000374548058 1121601643 /nfs/dbraw/zinc/60/16/43/1121601643.db2.gz JOAKJMASFUVBFJ-CQSZACIVSA-N 0 1 259.736 3.563 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H](CC)[C@@H]2CC2(C)C)n1 ZINC000419312038 1121640785 /nfs/dbraw/zinc/64/07/85/1121640785.db2.gz FDKJOXBLVHGCAS-WOPDTQHZSA-N 0 1 297.468 3.798 20 0 CHADMN Cc1oc(C[N@H+](C)Cc2cc(Cl)cs2)cc1C(=O)[O-] ZINC001119532053 1121797036 /nfs/dbraw/zinc/79/70/36/1121797036.db2.gz QNOOPRQEUUFDHE-UHFFFAOYSA-N 0 1 299.779 3.633 20 0 CHADMN COc1cc(C[N@H+]2CC[C@H]2C(C)C)cc(C(F)(F)F)c1 ZINC001180326614 1121979978 /nfs/dbraw/zinc/97/99/78/1121979978.db2.gz MXTXVZGTDYBWEG-AWEZNQCLSA-N 0 1 287.325 3.944 20 0 CHADMN COc1cc(CN2CC[C@H]2C(C)C)cc(C(F)(F)F)c1 ZINC001180326614 1121979985 /nfs/dbraw/zinc/97/99/85/1121979985.db2.gz MXTXVZGTDYBWEG-AWEZNQCLSA-N 0 1 287.325 3.944 20 0 CHADMN Cc1ncsc1CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420941955 1122042474 /nfs/dbraw/zinc/04/24/74/1122042474.db2.gz GMENPELHPWCQGN-JTQLQIEISA-N 0 1 278.343 3.616 20 0 CHADMN CO[C@@]1(C)C[C@@H](N(C)Cc2cc(F)ccc2F)C1(C)C ZINC001191202653 1122582495 /nfs/dbraw/zinc/58/24/95/1122582495.db2.gz HWDHGIXYCZIKLM-ZBFHGGJFSA-N 0 1 283.362 3.600 20 0 CHADMN C=C/C=C/CCN1CCn2c(Cl)ccc2[C@@H]1C ZINC001192947309 1122663857 /nfs/dbraw/zinc/66/38/57/1122663857.db2.gz NWVDMYWYMSNVMN-ITKZLYELSA-N 0 1 250.773 3.650 20 0 CHADMN COc1ccc(OC(F)F)c(CN(C)[C@@H]2CC2(C)C)c1 ZINC000426571022 1122824384 /nfs/dbraw/zinc/82/43/84/1122824384.db2.gz RBIGKSCTPJDYGP-CYBMUJFWSA-N 0 1 285.334 3.527 20 0 CHADMN CN(Cc1nc2ccc(F)cc2s1)[C@H]1CC1(C)C ZINC000426558538 1122821830 /nfs/dbraw/zinc/82/18/30/1122821830.db2.gz VJOPRPLUDYMDOH-LBPRGKRZSA-N 0 1 264.369 3.666 20 0 CHADMN CCCC[C@H](C)N(CCCC)C(=O)c1cc(CC)[nH]n1 ZINC000519457167 1122840306 /nfs/dbraw/zinc/84/03/06/1122840306.db2.gz MOTUYZOQMBLZPB-ZDUSSCGKSA-N 0 1 279.428 3.793 20 0 CHADMN Cc1coc(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)c1 ZINC000894888322 1123040855 /nfs/dbraw/zinc/04/08/55/1123040855.db2.gz MAOHJMIMVBGZNC-WDEREUQCSA-N 0 1 261.287 3.751 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC001152815164 1123061811 /nfs/dbraw/zinc/06/18/11/1123061811.db2.gz ITYWUYAIYCZILL-XHSDSOJGSA-N 0 1 282.472 3.534 20 0 CHADMN CC(C)Oc1cc(Nc2cncn2C)ccc1Cl ZINC001201382647 1123095705 /nfs/dbraw/zinc/09/57/05/1123095705.db2.gz LYQZQWUKDLYNRY-UHFFFAOYSA-N 0 1 265.744 3.604 20 0 CHADMN CC[C@H]1C[C@H](CN(CC(F)F)CC2CCC2)CCO1 ZINC000507809959 1123217917 /nfs/dbraw/zinc/21/79/17/1123217917.db2.gz GDJDRUSPIGYIOR-KGLIPLIRSA-N 0 1 275.383 3.559 20 0 CHADMN FC1CCC(CNCc2csc(C(F)(F)F)n2)CC1 ZINC000895122655 1123227018 /nfs/dbraw/zinc/22/70/18/1123227018.db2.gz RTMHSEWECBNDJE-UHFFFAOYSA-N 0 1 296.333 3.780 20 0 CHADMN O[C@@H]1C[C@@H](NCc2cc(Cl)cs2)c2ccccc21 ZINC000850376054 1123260494 /nfs/dbraw/zinc/26/04/94/1123260494.db2.gz WFGLCONEIWGMPK-ZIAGYGMSSA-N 0 1 279.792 3.670 20 0 CHADMN CN(CCCF)Cc1ccc(Sc2ccccn2)o1 ZINC000895896380 1123528801 /nfs/dbraw/zinc/52/88/01/1123528801.db2.gz SPBRAECMMXMEFE-UHFFFAOYSA-N 0 1 280.368 3.617 20 0 CHADMN Cc1ccc(CN2CCC[C@H](C(F)(F)F)[C@H]2C)cn1 ZINC000335870884 1123550927 /nfs/dbraw/zinc/55/09/27/1123550927.db2.gz XUJKOHHHBHMGMR-YPMHNXCESA-N 0 1 272.314 3.553 20 0 CHADMN CSc1ccc(CNCc2cc(C)oc2C)cc1 ZINC000114505094 1123564337 /nfs/dbraw/zinc/56/43/37/1123564337.db2.gz QIZULHSQIVPPSG-UHFFFAOYSA-N 0 1 261.390 3.908 20 0 CHADMN [O-]c1cccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c1Cl ZINC000856804249 1123568632 /nfs/dbraw/zinc/56/86/32/1123568632.db2.gz BEHUURIXHHTHSC-SECBINFHSA-N 0 1 294.609 3.719 20 0 CHADMN CO[C@@H](CN[C@H](C)c1ccc(Cl)c(F)c1)C(F)(F)F ZINC000777007936 1123637791 /nfs/dbraw/zinc/63/77/91/1123637791.db2.gz NQDVKXHZCCEVOP-HQJQHLMTSA-N 0 1 299.695 3.707 20 0 CHADMN CCCCCN(Cc1nnc(CC)[nH]1)[C@H](C)CCC ZINC000475019004 1123639725 /nfs/dbraw/zinc/63/97/25/1123639725.db2.gz QTJWILZOHFXRPT-CYBMUJFWSA-N 0 1 266.433 3.548 20 0 CHADMN CCS[C@H]1CCCC[C@@H]1NCc1ncc(C2CC2)o1 ZINC000346537610 1123693514 /nfs/dbraw/zinc/69/35/14/1123693514.db2.gz RVJFKAZCDVVPOP-JSGCOSHPSA-N 0 1 280.437 3.706 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnc(C)cn1)c1cccs1 ZINC000428342308 1123873838 /nfs/dbraw/zinc/87/38/38/1123873838.db2.gz ADKSAIMKVFQYGM-RYUDHWBXSA-N 0 1 261.394 3.648 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@H](C(F)(F)F)C1)C(C)(F)F ZINC000389458912 1124027468 /nfs/dbraw/zinc/02/74/68/1124027468.db2.gz DBZRNWBDDCPOLI-XHNCKOQMSA-N 0 1 259.262 3.741 20 0 CHADMN CC[C@H]1[C@@H](C)CCN1Cc1cnc(C(F)(F)F)s1 ZINC000446814053 1124123550 /nfs/dbraw/zinc/12/35/50/1124123550.db2.gz USNNEJBXFWLGFH-WPRPVWTQSA-N 0 1 278.343 3.782 20 0 CHADMN Cc1sccc1CN(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000449449062 1124742894 /nfs/dbraw/zinc/74/28/94/1124742894.db2.gz BOMBXETWRQLSFT-HNNXBMFYSA-N 0 1 295.835 3.875 20 0 CHADMN Cc1ccc(C[N@@H+](Cc2ccc(Cl)nn2)C(C)C)s1 ZINC000876640064 1124966403 /nfs/dbraw/zinc/96/64/03/1124966403.db2.gz ZYCYIIBMPBOISV-UHFFFAOYSA-N 0 1 295.839 3.911 20 0 CHADMN Cc1ccc(CN(Cc2ccc(Cl)nn2)C(C)C)s1 ZINC000876640064 1124966414 /nfs/dbraw/zinc/96/64/14/1124966414.db2.gz ZYCYIIBMPBOISV-UHFFFAOYSA-N 0 1 295.839 3.911 20 0 CHADMN CC(C)[C@H]1CCN1Cc1cc2c(ccnc2Cl)o1 ZINC000876878413 1124986260 /nfs/dbraw/zinc/98/62/60/1124986260.db2.gz BOIVOLUQJINWBQ-GFCCVEGCSA-N 0 1 264.756 3.712 20 0 CHADMN CN(CCc1cscn1)Cc1cc(Cl)ccc1F ZINC000450865513 1125114913 /nfs/dbraw/zinc/11/49/13/1125114913.db2.gz WRIYYITYLKXKNI-UHFFFAOYSA-N 0 1 284.787 3.610 20 0 CHADMN CCC1(CC)CCN(Cc2nc3c(o2)CCCC3)C1 ZINC000878183314 1125129059 /nfs/dbraw/zinc/12/90/59/1125129059.db2.gz FTDWJOFVEWYYTQ-UHFFFAOYSA-N 0 1 262.397 3.566 20 0 CHADMN CC[C@@H](NC[C@H]1CCC(C)(C)CO1)c1nc(C)cs1 ZINC000878409027 1125150416 /nfs/dbraw/zinc/15/04/16/1125150416.db2.gz XUSYXEXCIDCBRO-CHWSQXEVSA-N 0 1 282.453 3.697 20 0 CHADMN Cc1cc(CN2CCc3ccsc3[C@@H]2C)ccn1 ZINC000880376852 1125270098 /nfs/dbraw/zinc/27/00/98/1125270098.db2.gz VOOORGDHKSVMKL-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN CCc1cc(CN[C@@H](CC)c2sccc2Cl)[nH]n1 ZINC000883190274 1125375614 /nfs/dbraw/zinc/37/56/14/1125375614.db2.gz YWUMJARXZWMRCI-LBPRGKRZSA-N 0 1 283.828 3.928 20 0 CHADMN CC(C)C[C@H]1CCCCN1Cc1nnc(C(C)C)o1 ZINC000123630877 1125431893 /nfs/dbraw/zinc/43/18/93/1125431893.db2.gz WTXICMOPQWWJPL-CYBMUJFWSA-N 0 1 265.401 3.594 20 0 CHADMN C[C@H](c1cccc(Cl)c1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844452676 1131563034 /nfs/dbraw/zinc/56/30/34/1131563034.db2.gz MLPHCVAFRIXNCJ-FXAINCCUSA-N 0 1 257.711 3.598 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2cc(C(F)(F)F)ccn2)C1 ZINC001140108998 1131664428 /nfs/dbraw/zinc/66/44/28/1131664428.db2.gz WLISVUCHFZFJNY-GHMZBOCLSA-N 0 1 272.314 3.578 20 0 CHADMN CCC[N@H+](Cc1cc(F)c([O-])cc1F)CC(C)C ZINC001144659598 1131678947 /nfs/dbraw/zinc/67/89/47/1131678947.db2.gz MUWNMIJPOHBLGL-UHFFFAOYSA-N 0 1 257.324 3.538 20 0 CHADMN CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(O)c(Cl)c1 ZINC000042431704 1131735250 /nfs/dbraw/zinc/73/52/50/1131735250.db2.gz GUFVXLYHFMOULS-ZWNOBZJWSA-N 0 1 281.783 3.744 20 0 CHADMN C[C@@H](CN(C)Cc1cnc(Cl)c(F)c1)c1nccs1 ZINC000846852984 1131750424 /nfs/dbraw/zinc/75/04/24/1131750424.db2.gz NXHUMZDUERKCLD-VIFPVBQESA-N 0 1 299.802 3.566 20 0 CHADMN COc1ccc(CN2CCC[C@@H](CF)C2)c(Cl)c1 ZINC001140822486 1131935724 /nfs/dbraw/zinc/93/57/24/1131935724.db2.gz UBCRTTAVXJMKFS-NSHDSACASA-N 0 1 271.763 3.530 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1cnccc1C(F)(F)F ZINC001140914510 1131961834 /nfs/dbraw/zinc/96/18/34/1131961834.db2.gz LTWGGBXKXVRYFS-QWRGUYRKSA-N 0 1 272.314 3.863 20 0 CHADMN CC[C@@H]1CCCN(Cc2cnccc2C(F)(F)F)C1 ZINC001140919757 1131963484 /nfs/dbraw/zinc/96/34/84/1131963484.db2.gz BZQBOKQWIWXZKW-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccns1 ZINC000716012671 1132008569 /nfs/dbraw/zinc/00/85/69/1132008569.db2.gz DATJISCFUMVYJU-IUCAKERBSA-N 0 1 268.332 3.833 20 0 CHADMN CC[NH+](CC)C[C@H](C)Oc1cc([O-])c(Cl)cc1Cl ZINC001229410294 1132064327 /nfs/dbraw/zinc/06/43/27/1132064327.db2.gz JWDWKKCVLAHETQ-VIFPVBQESA-N 0 1 292.206 3.808 20 0 CHADMN C[C@H]1CC[C@@H](Oc2ccc(F)cc2CN(C)C)CC1 ZINC001229858720 1132125781 /nfs/dbraw/zinc/12/57/81/1132125781.db2.gz QXGIKDOVGLVILZ-JNSHFYNHSA-N 0 1 265.372 3.845 20 0 CHADMN CCCCCC[C@@H](CCC)n1c(C)cnc1CN ZINC001172391733 1132215780 /nfs/dbraw/zinc/21/57/80/1132215780.db2.gz SWXMKBIAWOXXPW-CQSZACIVSA-N 0 1 251.418 3.962 20 0 CHADMN CCCCCC[C@@H](CCC)[NH2+]CCCC[P@](=O)([O-])O ZINC001172391213 1132216597 /nfs/dbraw/zinc/21/65/97/1132216597.db2.gz PXVWMPCDUYUGSX-CQSZACIVSA-N 0 1 293.388 3.673 20 0 CHADMN Fc1cc(OC2CCC(F)(F)CC2)cc2[nH]ncc21 ZINC001230931177 1132230960 /nfs/dbraw/zinc/23/09/60/1132230960.db2.gz LVJTXOKOPYLPEQ-UHFFFAOYSA-N 0 1 270.254 3.659 20 0 CHADMN F[C@H]1CCCCN([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172718715 1132296491 /nfs/dbraw/zinc/29/64/91/1132296491.db2.gz KDCISJCNDPZYNM-LSDHHAIUSA-N 0 1 267.775 3.631 20 0 CHADMN Cc1ccc(CN2CCCCC23CC3)c(Cl)n1 ZINC001142140333 1132331760 /nfs/dbraw/zinc/33/17/60/1132331760.db2.gz YEPBFWLEZSIGRJ-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Cl)c(O)c2)CCC1(F)F ZINC001231733561 1132350454 /nfs/dbraw/zinc/35/04/54/1132350454.db2.gz YROYXYGDKLORMJ-JTQLQIEISA-N 0 1 289.753 3.913 20 0 CHADMN CC(C)(C)Oc1ccc(CN2CCC[C@@H]2CF)cc1 ZINC001231808838 1132367013 /nfs/dbraw/zinc/36/70/13/1132367013.db2.gz XFTPIVZXNBEXBK-CQSZACIVSA-N 0 1 265.372 3.798 20 0 CHADMN C[C@H]1CCCC[N@@H+](Cc2c(Cl)n(C)nc2C(F)F)C1 ZINC001232050062 1132414025 /nfs/dbraw/zinc/41/40/25/1132414025.db2.gz DMLKNBOERBMJRM-VIFPVBQESA-N 0 1 291.773 3.633 20 0 CHADMN C[C@H]1CCCCN(Cc2c(Cl)n(C)nc2C(F)F)C1 ZINC001232050062 1132414028 /nfs/dbraw/zinc/41/40/28/1132414028.db2.gz DMLKNBOERBMJRM-VIFPVBQESA-N 0 1 291.773 3.633 20 0 CHADMN CC[C@@H]1CC[C@H](NCc2nc(SC)ncc2Cl)C1 ZINC001173270927 1132435099 /nfs/dbraw/zinc/43/50/99/1132435099.db2.gz DGNLMORUNSVDGF-ZJUUUORDSA-N 0 1 285.844 3.520 20 0 CHADMN CCCCC[C@](C)(CC)c1nc([C@@H]2CCCN2)no1 ZINC000842637991 1132448094 /nfs/dbraw/zinc/44/80/94/1132448094.db2.gz UZHDGEDIZTUQBB-WFASDCNBSA-N 0 1 265.401 3.742 20 0 CHADMN Cc1c(F)cc(CN2CCC3(CC3)CC2)cc1F ZINC001232422274 1132467911 /nfs/dbraw/zinc/46/79/11/1132467911.db2.gz ZNCKKAHSHIIXNQ-UHFFFAOYSA-N 0 1 251.320 3.649 20 0 CHADMN CCCOC1CCN(Cc2cnc(SC)cc2C)CC1 ZINC001232346934 1132458593 /nfs/dbraw/zinc/45/85/93/1132458593.db2.gz NQKHYMONMHYVMH-UHFFFAOYSA-N 0 1 294.464 3.503 20 0 CHADMN Cc1c(Br)cncc1CN1[C@H](C)CCC[C@H]1C ZINC001232526925 1132482881 /nfs/dbraw/zinc/48/28/81/1132482881.db2.gz DTXJULQCWURBRS-GHMZBOCLSA-N 0 1 297.240 3.915 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccc([O-])c1Cl ZINC000328329831 1132523683 /nfs/dbraw/zinc/52/36/83/1132523683.db2.gz HWHCOTJUXKHDBI-PHIMTYICSA-N 0 1 253.773 3.809 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@H](C)C2)ncc1Br ZINC001232907899 1132542339 /nfs/dbraw/zinc/54/23/39/1132542339.db2.gz YVCXTDVQNNLBFB-PHIMTYICSA-N 0 1 297.240 3.630 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1cc(O)cc(Br)c1 ZINC001232997850 1132561164 /nfs/dbraw/zinc/56/11/64/1132561164.db2.gz YZCQYQCYGHGLCX-PHIMTYICSA-N 0 1 298.224 3.918 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CCC[C@H]1CC ZINC001233172625 1132575818 /nfs/dbraw/zinc/57/58/18/1132575818.db2.gz ZUTOPKFUTOAYIM-CYBMUJFWSA-N 0 1 268.788 3.508 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CCCCC[C@H]1C ZINC001233170794 1132575859 /nfs/dbraw/zinc/57/58/59/1132575859.db2.gz PXYXRFQAUXLFQZ-GFCCVEGCSA-N 0 1 282.815 3.898 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2cccs2)cc(C)n1 ZINC001204381275 1132590841 /nfs/dbraw/zinc/59/08/41/1132590841.db2.gz BOTMMUZWIYRWHO-CYBMUJFWSA-N 0 1 260.406 3.953 20 0 CHADMN FC1CC2(C1)CCN(Cc1ccc(Cl)o1)CC2 ZINC001233314262 1132599693 /nfs/dbraw/zinc/59/96/93/1132599693.db2.gz OSGCTPLQGFDXRD-UHFFFAOYSA-N 0 1 257.736 3.647 20 0 CHADMN Brc1cc(CN2CCC23CCCCC3)c[nH]1 ZINC001233434813 1132621951 /nfs/dbraw/zinc/62/19/51/1132621951.db2.gz CUGJPFLFIWILDH-UHFFFAOYSA-N 0 1 283.213 3.686 20 0 CHADMN Clc1cccc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c1Cl ZINC001204184055 1133416461 /nfs/dbraw/zinc/41/64/61/1133416461.db2.gz YYLHSOWPGGSKRL-ZWNOBZJWSA-N 0 1 286.202 3.604 20 0 CHADMN Clc1cccc(CN2CC[C@H]3OCC[C@@H]3C2)c1Cl ZINC001204184055 1133416463 /nfs/dbraw/zinc/41/64/63/1133416463.db2.gz YYLHSOWPGGSKRL-ZWNOBZJWSA-N 0 1 286.202 3.604 20 0 CHADMN Cc1cc(CN2CC[C@@](CF)(C(F)(F)F)C2)ccc1F ZINC001205162356 1133539239 /nfs/dbraw/zinc/53/92/39/1133539239.db2.gz QPVGWFVLCXDZBQ-ZDUSSCGKSA-N 0 1 293.279 3.858 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3cc(Cl)ccc3F)C[C@@H]21 ZINC001206028679 1133644062 /nfs/dbraw/zinc/64/40/62/1133644062.db2.gz YQWFTSYPOCKCGF-TXEJJXNPSA-N 0 1 253.748 3.567 20 0 CHADMN CC1(C)CN(CCCc2ccc(Cl)cc2)CCC1=O ZINC001207595867 1133825640 /nfs/dbraw/zinc/82/56/40/1133825640.db2.gz IMFJRYLIBIGJKO-UHFFFAOYSA-N 0 1 279.811 3.574 20 0 CHADMN COC(C)(C)CCC[C@@H](C)CCN1CC2(C1)CCCCO2 ZINC001208210211 1133908786 /nfs/dbraw/zinc/90/87/86/1133908786.db2.gz RNJGUZQSUSTCOY-MRXNPFEDSA-N 0 1 297.483 3.863 20 0 CHADMN COC[C@H]1CCCN1CCc1c(Cl)cccc1Cl ZINC001209104822 1133975869 /nfs/dbraw/zinc/97/58/69/1133975869.db2.gz HWNJYIMVYDMOBS-LLVKDONJSA-N 0 1 288.218 3.647 20 0 CHADMN C[C@@]1(F)CCCCN(CCc2ccc(F)c(F)c2)C1 ZINC001209240254 1133996552 /nfs/dbraw/zinc/99/65/52/1133996552.db2.gz TVWNPPCDOIKVBH-OAHLLOKOSA-N 0 1 271.326 3.721 20 0 CHADMN Oc1cc(Nc2ccc(Cl)c(O)c2F)cc(F)c1F ZINC001214802301 1134575007 /nfs/dbraw/zinc/57/50/07/1134575007.db2.gz ZURDCSSJXPNMDQ-UHFFFAOYSA-N 0 1 289.640 3.912 20 0 CHADMN Nc1c(Cl)cc(Cl)cc1CN1CC[C@@H](C2CC2)C1 ZINC000400038714 1134577208 /nfs/dbraw/zinc/57/72/08/1134577208.db2.gz MZPVIRZPEPQHTH-SNVBAGLBSA-N 0 1 285.218 3.808 20 0 CHADMN C[C@H](OC1CCN(CCF)CC1)c1ccc(Cl)cc1 ZINC001223958618 1135402673 /nfs/dbraw/zinc/40/26/73/1135402673.db2.gz QBBUVOVDWGDMPM-LBPRGKRZSA-N 0 1 285.790 3.852 20 0 CHADMN Cc1occc1CN(C)Cc1cccc(OC(F)F)c1 ZINC000050961368 1125507846 /nfs/dbraw/zinc/50/78/46/1125507846.db2.gz BRPXXUKXZLAKAO-UHFFFAOYSA-N 0 1 281.302 3.821 20 0 CHADMN COc1ccc(C2(NCc3ccco3)CCCC2)cc1 ZINC000116348026 1125508389 /nfs/dbraw/zinc/50/83/89/1125508389.db2.gz SUOHNOJRSGWPQS-UHFFFAOYSA-N 0 1 271.360 3.847 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NC1CC(c2ccccc2)C1 ZINC000133572040 1125510862 /nfs/dbraw/zinc/51/08/62/1125510862.db2.gz STZCZGGCLIWBAD-UHFFFAOYSA-N 0 1 297.402 3.518 20 0 CHADMN CS[C@H]1CCCCN(Cc2csc(C(C)C)n2)C1 ZINC000134580324 1125518410 /nfs/dbraw/zinc/51/84/10/1125518410.db2.gz QVNWGNMLOFIZEJ-ZDUSSCGKSA-N 0 1 284.494 3.984 20 0 CHADMN c1c[nH]c(CN2CCC[C@H](CCCc3ccccc3)C2)n1 ZINC000135551586 1125527453 /nfs/dbraw/zinc/52/74/53/1125527453.db2.gz XQPFCMAINVIQSF-KRWDZBQOSA-N 0 1 283.419 3.645 20 0 CHADMN CCc1nnc(CN[C@H]2CCCC[C@H]2Cc2ccccc2)o1 ZINC000119019987 1125527248 /nfs/dbraw/zinc/52/72/48/1125527248.db2.gz LPIJXBCAZOIRCS-HOTGVXAUSA-N 0 1 299.418 3.523 20 0 CHADMN CCO[C@@H](C)c1noc(CN2CCC[C@@H]2CCC(C)C)n1 ZINC000135302703 1125523321 /nfs/dbraw/zinc/52/33/21/1125523321.db2.gz LPZZWKWCKDJQFN-UONOGXRCSA-N 0 1 295.427 3.568 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1Cc1nnc(C(C)C)o1 ZINC000135335426 1125523563 /nfs/dbraw/zinc/52/35/63/1125523563.db2.gz QQVRBZOZCJUPSS-CHWSQXEVSA-N 0 1 265.401 3.594 20 0 CHADMN C[C@@H]1SCCN(Cc2ccccn2)[C@H]1c1ccccc1 ZINC000118534542 1125523656 /nfs/dbraw/zinc/52/36/56/1125523656.db2.gz PLXOKKNUNLVAJG-WMLDXEAASA-N 0 1 284.428 3.760 20 0 CHADMN Cc1cccc(NC(=O)Nc2ccc(F)c(F)c2O)c1C ZINC001202706224 1125524072 /nfs/dbraw/zinc/52/40/72/1125524072.db2.gz UAMSMINUYIAASV-UHFFFAOYSA-N 0 1 292.285 3.931 20 0 CHADMN Cc1ccccc1OCCCNC(C)(C)c1nccs1 ZINC000118848237 1125526311 /nfs/dbraw/zinc/52/63/11/1125526311.db2.gz SBWXUULDCKZSEB-UHFFFAOYSA-N 0 1 290.432 3.745 20 0 CHADMN CC(C)(NCc1ccccn1)c1cccc(Cl)c1 ZINC000119380238 1125532912 /nfs/dbraw/zinc/53/29/12/1125532912.db2.gz KIMJMYPNITVWHJ-UHFFFAOYSA-N 0 1 260.768 3.760 20 0 CHADMN Cc1ccoc1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000119716048 1125538520 /nfs/dbraw/zinc/53/85/20/1125538520.db2.gz BGEXRCHSVLILKV-UHFFFAOYSA-N 0 1 295.342 3.984 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccnc2Cl)s1 ZINC000729677799 1125540963 /nfs/dbraw/zinc/54/09/63/1125540963.db2.gz DZWZKAPDLRCYTF-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CC[C@H](c3ccccc3)C2)n1 ZINC000120140486 1125543049 /nfs/dbraw/zinc/54/30/49/1125543049.db2.gz CCSSQLINAAEJSZ-HIFRSBDPSA-N 0 1 285.391 3.744 20 0 CHADMN C[C@@H](c1c(F)cccc1F)[N@@H+](C)CCC1CCOCC1 ZINC000120627090 1125548927 /nfs/dbraw/zinc/54/89/27/1125548927.db2.gz QAZJBEMAQZLXLU-LBPRGKRZSA-N 0 1 283.362 3.774 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N(C)CCC1CCOCC1 ZINC000120627090 1125548932 /nfs/dbraw/zinc/54/89/32/1125548932.db2.gz QAZJBEMAQZLXLU-LBPRGKRZSA-N 0 1 283.362 3.774 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccsc1)CCCO2 ZINC000193693329 1125548969 /nfs/dbraw/zinc/54/89/69/1125548969.db2.gz FNKXHIZHFDAMFP-AWEZNQCLSA-N 0 1 277.364 3.891 20 0 CHADMN CCn1cc([C@H](C)N[C@H](c2ncccc2C)C(C)C)cn1 ZINC000120570224 1125549015 /nfs/dbraw/zinc/54/90/15/1125549015.db2.gz WKBMAORZGXMZMA-HOCLYGCPSA-N 0 1 286.423 3.654 20 0 CHADMN Clc1ccsc1CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000194346791 1125553910 /nfs/dbraw/zinc/55/39/10/1125553910.db2.gz PEEAVEKSORXKSE-SNVBAGLBSA-N 0 1 281.812 3.504 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H](F)C1)c1nc(C(F)(F)F)cs1 ZINC000348323488 1125554800 /nfs/dbraw/zinc/55/48/00/1125554800.db2.gz NJEQSBUKOPJDHW-RNJXMRFFSA-N 0 1 282.306 3.703 20 0 CHADMN C[C@@H](Nc1ccnc2cc(F)ccc21)c1ccc[nH]1 ZINC000760271669 1125559006 /nfs/dbraw/zinc/55/90/06/1125559006.db2.gz GRYVECIRDBLFQC-SNVBAGLBSA-N 0 1 255.296 3.875 20 0 CHADMN CCc1oc2ccccc2c1C[N@@H+](C)CC1=CCCOC1 ZINC000121331798 1125559099 /nfs/dbraw/zinc/55/90/99/1125559099.db2.gz YZACQOOGMWSTMC-UHFFFAOYSA-N 0 1 285.387 3.774 20 0 CHADMN Oc1ccc2c(c1)CN(CCSc1ccccc1)CC2 ZINC000532730337 1125576273 /nfs/dbraw/zinc/57/62/73/1125576273.db2.gz PUQOYEDLJHGCQE-UHFFFAOYSA-N 0 1 285.412 3.543 20 0 CHADMN CO[C@@H](C)c1nc(CN2CCC[C@H]2C2CCC2)cs1 ZINC000245468653 1125573286 /nfs/dbraw/zinc/57/32/86/1125573286.db2.gz KXVZIOHRVYPBJK-FZMZJTMJSA-N 0 1 280.437 3.615 20 0 CHADMN C[C@H]1CN(Cc2cc3ccccc3s2)[C@@H](C)CO1 ZINC000245512523 1125576698 /nfs/dbraw/zinc/57/66/98/1125576698.db2.gz ADJLOLMJPVCGRV-RYUDHWBXSA-N 0 1 261.390 3.511 20 0 CHADMN Cc1cccnc1CN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000245524127 1125578304 /nfs/dbraw/zinc/57/83/04/1125578304.db2.gz AAURUTLMXRZTKD-CJNGLKHVSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1nc2cc(NCc3cccc4cc[nH]c43)ccc2n1C ZINC000532896490 1125586666 /nfs/dbraw/zinc/58/66/66/1125586666.db2.gz FKZIKGIYANLREI-UHFFFAOYSA-N 0 1 290.370 3.975 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C2CCCCC2)cc1 ZINC000532881960 1125587596 /nfs/dbraw/zinc/58/75/96/1125587596.db2.gz YPJUBQNFPUDWCH-ZDUSSCGKSA-N 0 1 275.392 3.639 20 0 CHADMN CN(Cc1cc2cc(F)ccc2o1)Cc1cccc(O)c1 ZINC000532934345 1125591002 /nfs/dbraw/zinc/59/10/02/1125591002.db2.gz UJZWYCHEVASNFK-UHFFFAOYSA-N 0 1 285.318 3.910 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H]2CC[C@H](F)C2)cs1 ZINC000348333282 1125591535 /nfs/dbraw/zinc/59/15/35/1125591535.db2.gz YEEWJATYXSEJRN-DCAQKATOSA-N 0 1 256.390 3.808 20 0 CHADMN C[C@H](N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000245838061 1125594746 /nfs/dbraw/zinc/59/47/46/1125594746.db2.gz CZSGORJYMKJCLW-FSBGKCOPSA-N 0 1 293.313 3.739 20 0 CHADMN C[C@@H]1CN(Cc2cccc(O)c2)[C@H]1c1ccccc1 ZINC000245774802 1125595069 /nfs/dbraw/zinc/59/50/69/1125595069.db2.gz SMNFZSJBMCGCIG-CXAGYDPISA-N 0 1 253.345 3.585 20 0 CHADMN Cc1ccc2nc(CN3CC[C@@H](C(F)(F)F)C3)ccc2c1 ZINC001137215913 1125596094 /nfs/dbraw/zinc/59/60/94/1125596094.db2.gz QNWNXLPDEMHRTB-CYBMUJFWSA-N 0 1 294.320 3.927 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@@H](C)c2csc(CC)n2)C12CCC2 ZINC000245870485 1125597277 /nfs/dbraw/zinc/59/72/77/1125597277.db2.gz JIGDHNLJUKIYKC-FPMFFAJLSA-N 0 1 294.464 3.704 20 0 CHADMN CCCCc1noc([C@@H](C)N(C)CC2CCCC2)n1 ZINC000533397804 1125605062 /nfs/dbraw/zinc/60/50/62/1125605062.db2.gz OKJUBVCRFUSSKP-GFCCVEGCSA-N 0 1 265.401 3.595 20 0 CHADMN CCS[C@H](C)c1noc(CN(CC2CC2)C(C)C)n1 ZINC000533495241 1125610765 /nfs/dbraw/zinc/61/07/65/1125610765.db2.gz GOMIAIGMOYXKDB-LLVKDONJSA-N 0 1 283.441 3.504 20 0 CHADMN c1cc(CNC2(c3ccccc3)CCCCC2)on1 ZINC000533526873 1125613829 /nfs/dbraw/zinc/61/38/29/1125613829.db2.gz JSAVMHBCRWJCMW-UHFFFAOYSA-N 0 1 256.349 3.624 20 0 CHADMN CC1CCC(N(C(=O)c2[nH]nc3ccccc32)C2CC2)CC1 ZINC000068258808 1125627098 /nfs/dbraw/zinc/62/70/98/1125627098.db2.gz XIIMFIXSFTVLGF-UHFFFAOYSA-N 0 1 297.402 3.746 20 0 CHADMN CC[C@@H](C)N(C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000068450508 1125627865 /nfs/dbraw/zinc/62/78/65/1125627865.db2.gz IISQWVHYOATZQR-SNVBAGLBSA-N 0 1 279.771 3.620 20 0 CHADMN Cc1coc(CN[C@@H]2CCCOc3ccccc32)c1 ZINC000885958252 1125629850 /nfs/dbraw/zinc/62/98/50/1125629850.db2.gz FUIYZXWJIKVZAI-OAHLLOKOSA-N 0 1 257.333 3.592 20 0 CHADMN C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(C(F)F)nc1 ZINC000638064174 1129241182 /nfs/dbraw/zinc/24/11/82/1129241182.db2.gz JFVLOMOLWLIOTQ-NSHDSACASA-N 0 1 292.329 3.918 20 0 CHADMN CC(C)c1cc(CNC/C=C\c2cccc(F)c2)on1 ZINC000885985397 1125633179 /nfs/dbraw/zinc/63/31/79/1125633179.db2.gz HBFPDPKSCDUTOZ-XQRVVYSFSA-N 0 1 274.339 3.740 20 0 CHADMN Cc1cccc2nc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)cn21 ZINC000071950618 1125633834 /nfs/dbraw/zinc/63/38/34/1125633834.db2.gz XORJBAFAJPGSNG-WBVHZDCISA-N 0 1 283.419 3.797 20 0 CHADMN Cc1cccc2nc(CN3CCC[C@H]4CCCC[C@@H]43)cn21 ZINC000071950618 1125633837 /nfs/dbraw/zinc/63/38/37/1125633837.db2.gz XORJBAFAJPGSNG-WBVHZDCISA-N 0 1 283.419 3.797 20 0 CHADMN CSc1ccc(C)c(NCc2n[nH]c(C)c2C)c1 ZINC000886057699 1125642178 /nfs/dbraw/zinc/64/21/78/1125642178.db2.gz VSXYWEYCLXATQT-UHFFFAOYSA-N 0 1 261.394 3.669 20 0 CHADMN CC(C)(C)OC1CCN(CCSC(F)(F)F)CC1 ZINC000886040422 1125639764 /nfs/dbraw/zinc/63/97/64/1125639764.db2.gz YVGOGPNBWJEXMY-UHFFFAOYSA-N 0 1 285.375 3.519 20 0 CHADMN CO[C@H](c1ccccc1F)[C@H](C)NCc1cc(C)co1 ZINC000886057593 1125642350 /nfs/dbraw/zinc/64/23/50/1125642350.db2.gz RFIWNUNZOKOZQF-LRDDRELGSA-N 0 1 277.339 3.593 20 0 CHADMN CC[C@](C)(NC[C@@H]1CCC2(CCC2)CO1)c1nccs1 ZINC000886070950 1125644309 /nfs/dbraw/zinc/64/43/09/1125644309.db2.gz YEQSIJWNIRBQPQ-ZFWWWQNUSA-N 0 1 294.464 3.707 20 0 CHADMN CC[C@]1(C)Oc2ccc(NCc3n[nH]c(C)c3C)cc2O1 ZINC000886083952 1125645027 /nfs/dbraw/zinc/64/50/27/1125645027.db2.gz OKJDHWRODPDXJX-MRXNPFEDSA-N 0 1 287.363 3.536 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000246536727 1125645156 /nfs/dbraw/zinc/64/51/56/1125645156.db2.gz SINPKHQUOVSFFG-WOSRLPQWSA-N 0 1 297.402 3.886 20 0 CHADMN CSCc1ccc(CNCc2ccc(Cl)cn2)cc1 ZINC000886113873 1125651897 /nfs/dbraw/zinc/65/18/97/1125651897.db2.gz BQFUUIJBSMLBPO-UHFFFAOYSA-N 0 1 292.835 3.888 20 0 CHADMN Cc1csc(C2(NCCSC(F)(F)F)CCC2)n1 ZINC000886130128 1125654222 /nfs/dbraw/zinc/65/42/22/1125654222.db2.gz WQYPRAWNYHKGDU-UHFFFAOYSA-N 0 1 296.383 3.673 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000247107864 1125655175 /nfs/dbraw/zinc/65/51/75/1125655175.db2.gz QVMSYRRVBVVMMQ-JLTOFOAXSA-N 0 1 287.428 3.617 20 0 CHADMN C[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2ccccn2)C1 ZINC000075842887 1125657687 /nfs/dbraw/zinc/65/76/87/1125657687.db2.gz IHTYFAVBLWZZRR-GUYCJALGSA-N 0 1 270.351 3.804 20 0 CHADMN COc1cccc(C2(NCc3cc(C)co3)CCC2)c1 ZINC000886164482 1125657927 /nfs/dbraw/zinc/65/79/27/1125657927.db2.gz LXDJRKZHSAUSMJ-UHFFFAOYSA-N 0 1 271.360 3.766 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCN1CCSC(F)(F)F ZINC000886181536 1125659802 /nfs/dbraw/zinc/65/98/02/1125659802.db2.gz NTZIGRXFARPNBA-BQBZGAKWSA-N 0 1 281.265 3.512 20 0 CHADMN c1[nH]nc2cc(N[C@H]3CCOC4(CCCCC4)C3)ccc12 ZINC000886186294 1125660095 /nfs/dbraw/zinc/66/00/95/1125660095.db2.gz UVXWYZSQKSCJGI-HNNXBMFYSA-N 0 1 285.391 3.857 20 0 CHADMN FC(F)(F)SCCN1CCC[C@@H](c2ccncc2)C1 ZINC000886204823 1125661111 /nfs/dbraw/zinc/66/11/11/1125661111.db2.gz RCFRAENUVCJHGR-GFCCVEGCSA-N 0 1 290.354 3.514 20 0 CHADMN C[C@H](N[C@@H](CN(C)C)c1ccc(Cl)cc1)c1ccco1 ZINC000282953865 1125662903 /nfs/dbraw/zinc/66/29/03/1125662903.db2.gz CBPIIIWZLOTPHD-WFASDCNBSA-N 0 1 292.810 3.887 20 0 CHADMN C[C@H]1CCN(Cc2cc(-c3cccs3)on2)[C@H]1C ZINC000248356997 1125664066 /nfs/dbraw/zinc/66/40/66/1125664066.db2.gz OZWDZYXIVFNJCG-QWRGUYRKSA-N 0 1 262.378 3.633 20 0 CHADMN C[C@H]1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)[C@H]1C ZINC000248368129 1125664973 /nfs/dbraw/zinc/66/49/73/1125664973.db2.gz UVPMKDOHXFRBHX-QWRGUYRKSA-N 0 1 291.782 3.620 20 0 CHADMN CSc1cc(C)cc(CN2CCC(F)(F)CC2)c1 ZINC001238676645 1131231132 /nfs/dbraw/zinc/23/11/32/1131231132.db2.gz YWJPBKCMUMZXBR-UHFFFAOYSA-N 0 1 271.376 3.948 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1ncco1 ZINC000886272337 1125665793 /nfs/dbraw/zinc/66/57/93/1125665793.db2.gz NKRLRAXIYVRJQV-CWRNSKLLSA-N 0 1 270.376 3.737 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N1CC[C@@]2(CCOC2)C1 ZINC000248549327 1125667033 /nfs/dbraw/zinc/66/70/33/1125667033.db2.gz HHAIFEROGHDWDY-XHDPSFHLSA-N 0 1 283.774 3.653 20 0 CHADMN C[C@H]1CCCN1Cc1csc(Cc2ccccc2)n1 ZINC000076114633 1125669135 /nfs/dbraw/zinc/66/91/35/1125669135.db2.gz DBSZVDOIUCPSTK-ZDUSSCGKSA-N 0 1 272.417 3.718 20 0 CHADMN c1cc2n(c1)CCN(C[C@H]1CCC=CO1)[C@H]2c1ccccc1 ZINC000249056904 1125678617 /nfs/dbraw/zinc/67/86/17/1125678617.db2.gz YYIPXCXPUMXWFF-MJGOQNOKSA-N 0 1 294.398 3.586 20 0 CHADMN CCCOCc1ccccc1CN[C@H]1CCc2cccnc21 ZINC000886506101 1125681167 /nfs/dbraw/zinc/68/11/67/1125681167.db2.gz BRVUNIYZXYEEKV-SFHVURJKSA-N 0 1 296.414 3.785 20 0 CHADMN CSc1ccc(CN[C@@H]2CCc3cccnc32)cc1 ZINC000886511563 1125681571 /nfs/dbraw/zinc/68/15/71/1125681571.db2.gz XRICZQBYPABKSX-OAHLLOKOSA-N 0 1 270.401 3.581 20 0 CHADMN CCO[C@H](C)c1noc(CN([C@@H](C)[C@@H](C)CC)C2CC2)n1 ZINC000076727981 1125683775 /nfs/dbraw/zinc/68/37/75/1125683775.db2.gz IOYVGOSWTBSJTR-RWMBFGLXSA-N 0 1 295.427 3.566 20 0 CHADMN CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cccc([O-])c1Cl ZINC000393280614 1125684567 /nfs/dbraw/zinc/68/45/67/1125684567.db2.gz XMYDLGRUTHOZOK-JQWIXIFHSA-N 0 1 253.773 3.809 20 0 CHADMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1cccc([O-])c1Cl ZINC000393280614 1125684571 /nfs/dbraw/zinc/68/45/71/1125684571.db2.gz XMYDLGRUTHOZOK-JQWIXIFHSA-N 0 1 253.773 3.809 20 0 CHADMN CCO[C@H](C)c1noc(CN([C@H](C)[C@H](C)CC)C2CC2)n1 ZINC000076727973 1125684692 /nfs/dbraw/zinc/68/46/92/1125684692.db2.gz IOYVGOSWTBSJTR-JHJVBQTASA-N 0 1 295.427 3.566 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)C1 ZINC000629375789 1125686902 /nfs/dbraw/zinc/68/69/02/1125686902.db2.gz BAFIWVGQGKAZHS-OVYGPGRDSA-N 0 1 293.451 3.778 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1 ZINC000219861361 1125688326 /nfs/dbraw/zinc/68/83/26/1125688326.db2.gz CUXNUVIMYWZQJJ-UONOGXRCSA-N 0 1 291.354 3.614 20 0 CHADMN COc1ccc([C@@H](C)NCc2cnc(C(C)(C)C)nc2)cc1 ZINC000284325123 1125693131 /nfs/dbraw/zinc/69/31/31/1125693131.db2.gz KHYOULFBPVCJOH-CYBMUJFWSA-N 0 1 299.418 3.634 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@@H]1CCc3cccnc31)CCC2 ZINC000886587700 1125693662 /nfs/dbraw/zinc/69/36/62/1125693662.db2.gz DAOSONIURXWULZ-TZMCWYRMSA-N 0 1 285.416 3.501 20 0 CHADMN Cc1cccc2nc(CN3CCC[C@@H]4CCCC[C@H]43)cn21 ZINC000251185505 1125694232 /nfs/dbraw/zinc/69/42/32/1125694232.db2.gz XORJBAFAJPGSNG-DOTOQJQBSA-N 0 1 283.419 3.797 20 0 CHADMN CCCOc1ccc(CN[C@@H]2CCc3cccnc32)c(C)c1 ZINC000886599451 1125695319 /nfs/dbraw/zinc/69/53/19/1125695319.db2.gz ZGLBAMSQEYPNCS-GOSISDBHSA-N 0 1 296.414 3.956 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@H]1CCc3cccnc31)CCC2 ZINC000886605023 1125697084 /nfs/dbraw/zinc/69/70/84/1125697084.db2.gz ICIVVCJXWIQHPR-SJORKVTESA-N 0 1 282.362 3.875 20 0 CHADMN c1ccc([C@H](N[C@@H]2CCc3cccnc32)C2CCC2)nc1 ZINC000886641451 1125700677 /nfs/dbraw/zinc/70/06/77/1125700677.db2.gz JYIOEFOWNDKEOP-SJLPKXTDSA-N 0 1 279.387 3.595 20 0 CHADMN Clc1cscc1CN[C@@H]1CCCc2ncccc21 ZINC000886657714 1125703940 /nfs/dbraw/zinc/70/39/40/1125703940.db2.gz AMIAVJTVDQBIQJ-CQSZACIVSA-N 0 1 278.808 3.964 20 0 CHADMN Cc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000078328154 1125711105 /nfs/dbraw/zinc/71/11/05/1125711105.db2.gz OJAOJMFNCVBYSN-UHFFFAOYSA-N 0 1 291.354 3.946 20 0 CHADMN CCc1ccc(CN2CC3(CCCC3)OC(C)(C)C2)cn1 ZINC000348397640 1125722677 /nfs/dbraw/zinc/72/26/77/1125722677.db2.gz AEJHWSMSQWCOFA-UHFFFAOYSA-N 0 1 288.435 3.568 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N1CCc2cc[nH]c(=O)c2C1 ZINC000348402588 1125731493 /nfs/dbraw/zinc/73/14/93/1125731493.db2.gz HMEMHEVRMZWBKC-LLVKDONJSA-N 0 1 288.778 3.560 20 0 CHADMN C[C@@H](NCc1cccc(OCC(F)F)c1)c1ccccn1 ZINC000089543355 1125735665 /nfs/dbraw/zinc/73/56/65/1125735665.db2.gz BLZMYYNEFAFZLO-GFCCVEGCSA-N 0 1 292.329 3.576 20 0 CHADMN Cc1cc(CN2CCC[C@H](Nc3ccccc3)C2)sn1 ZINC000638121604 1129244450 /nfs/dbraw/zinc/24/44/50/1129244450.db2.gz HHIWQQILCRGIDJ-HNNXBMFYSA-N 0 1 287.432 3.528 20 0 CHADMN C[C@@H](N[C@@H]1CC(C)(C)c2ccccc21)c1cnccn1 ZINC000090576476 1125744523 /nfs/dbraw/zinc/74/45/23/1125744523.db2.gz WXIGJGDDNYYEIK-IUODEOHRSA-N 0 1 267.376 3.550 20 0 CHADMN Nc1ncc(CN2CCC[C@@H]2c2cccc(Cl)c2)s1 ZINC000261877489 1125745441 /nfs/dbraw/zinc/74/54/41/1125745441.db2.gz QHAYJFWLMITATD-CYBMUJFWSA-N 0 1 293.823 3.716 20 0 CHADMN COC[C@H](N[C@@H](c1cccc(C)c1)c1ccccn1)C(C)C ZINC000090946654 1125746297 /nfs/dbraw/zinc/74/62/97/1125746297.db2.gz XDLRSCYAIUMJOG-OALUTQOASA-N 0 1 298.430 3.740 20 0 CHADMN Cc1cccc([C@H](C)NCc2cccc(N(C)C)n2)c1C ZINC000090852742 1125746354 /nfs/dbraw/zinc/74/63/54/1125746354.db2.gz OPDBXMQLQOTAGO-HNNXBMFYSA-N 0 1 283.419 3.615 20 0 CHADMN Cc1c(CN[C@H](C)c2cc3cc(C)c(C)cc3o2)cnn1C ZINC000090888020 1125747605 /nfs/dbraw/zinc/74/76/05/1125747605.db2.gz DYSCKBAZGVVCMH-CYBMUJFWSA-N 0 1 297.402 3.942 20 0 CHADMN Cc1cccc(O[C@@H](C)CN[C@H](C)c2nccs2)c1 ZINC000091729458 1125752427 /nfs/dbraw/zinc/75/24/27/1125752427.db2.gz OLOUBLDYSBCCKY-QWHCGFSZSA-N 0 1 276.405 3.570 20 0 CHADMN c1c[nH]c([C@@H]2CCCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000092730010 1125761213 /nfs/dbraw/zinc/76/12/13/1125761213.db2.gz PJDOVQXBIQYYKO-INIZCTEOSA-N 0 1 280.375 3.618 20 0 CHADMN c1c[nH]c([C@@H]2CCCCN2Cc2cccc3[nH]ccc32)n1 ZINC000092730010 1125761219 /nfs/dbraw/zinc/76/12/19/1125761219.db2.gz PJDOVQXBIQYYKO-INIZCTEOSA-N 0 1 280.375 3.618 20 0 CHADMN CC[C@@H](C)CN[C@@H](c1ccccn1)c1ccccc1OC ZINC000093111442 1125765270 /nfs/dbraw/zinc/76/52/70/1125765270.db2.gz TURUWXZVOZDRCK-RDTXWAMCSA-N 0 1 284.403 3.815 20 0 CHADMN Cc1cccnc1CN1CCSC[C@H]1c1ccccc1 ZINC000093174400 1125767252 /nfs/dbraw/zinc/76/72/52/1125767252.db2.gz MNAZYGZGJPIJDT-KRWDZBQOSA-N 0 1 284.428 3.680 20 0 CHADMN Cc1cccc(NC2CCN(Cc3ccco3)CC2)c1 ZINC000093607693 1125769893 /nfs/dbraw/zinc/76/98/93/1125769893.db2.gz YVXPZUHTZRQKCQ-UHFFFAOYSA-N 0 1 270.376 3.665 20 0 CHADMN CCc1nc2c(s1)[C@H](N(C)Cc1cccn1C)CCC2 ZINC000093768068 1125772541 /nfs/dbraw/zinc/77/25/41/1125772541.db2.gz FFKBKTXLABNCNE-CQSZACIVSA-N 0 1 289.448 3.553 20 0 CHADMN O=C(C[C@H]1CCCN1Cc1ccco1)c1ccccc1 ZINC000093667645 1125773455 /nfs/dbraw/zinc/77/34/55/1125773455.db2.gz GKTBVEYWLFUWEF-OAHLLOKOSA-N 0 1 269.344 3.517 20 0 CHADMN CC(=O)c1c(C)cc(C)c(CN2CC=C(C)CC2)c1C ZINC000533763050 1125780452 /nfs/dbraw/zinc/78/04/52/1125780452.db2.gz WFGCTKZPBAOCEI-UHFFFAOYSA-N 0 1 271.404 3.966 20 0 CHADMN Cc1ccoc1CN[C@@H]1CCCc2cc(F)ccc21 ZINC000122381510 1125786189 /nfs/dbraw/zinc/78/61/89/1125786189.db2.gz VXGUXIZMWGTBGC-OAHLLOKOSA-N 0 1 259.324 3.894 20 0 CHADMN Oc1ccc(F)c(CN2CCC3(C2)CCCCC3)c1F ZINC000508758487 1125788950 /nfs/dbraw/zinc/78/89/50/1125788950.db2.gz RTJAJPZUZLGCIF-UHFFFAOYSA-N 0 1 281.346 3.827 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccccc2)c(Cl)cc1O ZINC000638293842 1129252948 /nfs/dbraw/zinc/25/29/48/1129252948.db2.gz LJEHFOFAYJPOTG-NSHDSACASA-N 0 1 291.778 3.905 20 0 CHADMN Fc1c2cc[nH]c2ccc1-c1ccc2cncn2c1 ZINC001245898288 1131234202 /nfs/dbraw/zinc/23/42/02/1131234202.db2.gz NRAOJISIQRPLTO-UHFFFAOYSA-N 0 1 251.264 3.622 20 0 CHADMN COc1cc(CN[C@@H](C)c2cnc(C)s2)ccc1C ZINC000179138237 1129390388 /nfs/dbraw/zinc/39/03/88/1129390388.db2.gz RIFKFHKOJVYUPZ-NSHDSACASA-N 0 1 276.405 3.619 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H]1CCC=CO1 ZINC000248879338 1129430186 /nfs/dbraw/zinc/43/01/86/1129430186.db2.gz KIBNXWZFYTYKSR-DGCLKSJQSA-N 0 1 267.319 3.650 20 0 CHADMN Cc1ccc(CN(Cc2nccnc2C)C2CC2)cc1C ZINC000621717436 1129186046 /nfs/dbraw/zinc/18/60/46/1129186046.db2.gz DHWXVLYEYYWUMB-UHFFFAOYSA-N 0 1 281.403 3.566 20 0 CHADMN CO[C@@H](C)c1cccc(N[C@H](C)c2cn[nH]c2C)c1 ZINC000181210372 1129542861 /nfs/dbraw/zinc/54/28/61/1129542861.db2.gz AHJNRFZAIUAOAX-PWSUYJOCSA-N 0 1 259.353 3.599 20 0 CHADMN COc1cc(CNCc2ccc(C)o2)ccc1Cl ZINC000648816902 1129626659 /nfs/dbraw/zinc/62/66/59/1129626659.db2.gz QCEOELJCGXMVOQ-UHFFFAOYSA-N 0 1 265.740 3.540 20 0 CHADMN CC[C@@H](NCc1oc(C)nc1C)c1ccc(C)cc1 ZINC000389348861 1129656896 /nfs/dbraw/zinc/65/68/96/1129656896.db2.gz YKSUNXYTLIUDLN-OAHLLOKOSA-N 0 1 258.365 3.841 20 0 CHADMN CCCCn1nc(C)c(CN(C)CC(C)C)c1Cl ZINC000768243049 1129850278 /nfs/dbraw/zinc/85/02/78/1129850278.db2.gz GSNRULCQTDLZQU-UHFFFAOYSA-N 0 1 271.836 3.733 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1ccccc1C ZINC000769858967 1129926635 /nfs/dbraw/zinc/92/66/35/1129926635.db2.gz FCONYKNRFFDPMA-GFCCVEGCSA-N 0 1 258.365 3.705 20 0 CHADMN CN(C)Cc1cccc(-c2cccc(F)c2F)c1F ZINC001239707604 1130064358 /nfs/dbraw/zinc/06/43/58/1130064358.db2.gz SRMNGLQKXWJQCN-UHFFFAOYSA-N 0 1 265.278 3.833 20 0 CHADMN CC(C)c1ccc(CN2CC[C@@H](C)C2)c(Cl)n1 ZINC001238721138 1131237025 /nfs/dbraw/zinc/23/70/25/1131237025.db2.gz FRUDGXVJGCLOIA-LLVKDONJSA-N 0 1 252.789 3.700 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](CC)Cc1ccccc1Cl ZINC000903596979 1130183405 /nfs/dbraw/zinc/18/34/05/1130183405.db2.gz YVOSJIAJGQWZRT-FZMZJTMJSA-N 0 1 283.799 3.661 20 0 CHADMN C[C@H](C1CCCCC1)[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC000903686407 1130189609 /nfs/dbraw/zinc/18/96/09/1130189609.db2.gz IJSVLPZHHLERKI-LLVKDONJSA-N 0 1 281.421 3.847 20 0 CHADMN Fc1ccccc1CN1CCC[C@]2(C1)OCc1ccccc12 ZINC000481700256 1126706687 /nfs/dbraw/zinc/70/66/87/1126706687.db2.gz AEUKAFLJGGJETH-LJQANCHMSA-N 0 1 297.373 3.847 20 0 CHADMN Clc1cc(CN[C@H]2CO[C@@H](C3CC3)C2)c(Cl)s1 ZINC000667921302 1126704426 /nfs/dbraw/zinc/70/44/26/1126704426.db2.gz AWAQSTISUFBUEU-NXEZZACHSA-N 0 1 292.231 3.712 20 0 CHADMN CCOc1cccc(CN(C)Cc2cccc(C)c2C)n1 ZINC000428720634 1126717298 /nfs/dbraw/zinc/71/72/98/1126717298.db2.gz LCSGIRHPVNRXLY-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@H](C)c1ccncc1F)CC2 ZINC000338026926 1126712799 /nfs/dbraw/zinc/71/27/99/1126712799.db2.gz LEWXCJQZDSOHSF-DIFFPNOSSA-N 0 1 286.350 3.567 20 0 CHADMN C(=C\[C@@H]1CCCN1Cc1cnc2n1CCC2)\c1ccccc1 ZINC000667960890 1126718684 /nfs/dbraw/zinc/71/86/84/1126718684.db2.gz ZAMUEBPHCBFRFB-MQNTZWLQSA-N 0 1 293.414 3.507 20 0 CHADMN Clc1ccc(CN2CCCC3(CCCC3)C2)nc1 ZINC000556019431 1126723701 /nfs/dbraw/zinc/72/37/01/1126723701.db2.gz SKKFPNBSNKMEMP-UHFFFAOYSA-N 0 1 264.800 3.891 20 0 CHADMN CC(C)(C)OCc1cccc(CNCc2cncs2)c1 ZINC000136009048 1126723276 /nfs/dbraw/zinc/72/32/76/1126723276.db2.gz KJQPFOMXLIJXEP-UHFFFAOYSA-N 0 1 290.432 3.748 20 0 CHADMN c1ccc([C@H]2CCC[N@@H+]2Cc2cccc3c2OCCO3)cc1 ZINC000338205888 1126723885 /nfs/dbraw/zinc/72/38/85/1126723885.db2.gz KRLBTXRBTBKXKE-QGZVFWFLSA-N 0 1 295.382 3.795 20 0 CHADMN Cc1ccoc1CN(C)CCSc1ccccc1 ZINC000338216979 1126724267 /nfs/dbraw/zinc/72/42/67/1126724267.db2.gz QLWFAUKWGNHHFB-UHFFFAOYSA-N 0 1 261.390 3.812 20 0 CHADMN CO[C@H](CN(C)Cc1ccoc1)c1ccc(Cl)cc1 ZINC000338240197 1126726700 /nfs/dbraw/zinc/72/67/00/1126726700.db2.gz SPUYXZDZHJUBTF-OAHLLOKOSA-N 0 1 279.767 3.753 20 0 CHADMN CN(C)c1cccc(CN(C)Cc2ccccc2F)c1 ZINC000338257053 1126728206 /nfs/dbraw/zinc/72/82/06/1126728206.db2.gz XZJHHXHIBKOSCB-UHFFFAOYSA-N 0 1 272.367 3.524 20 0 CHADMN COc1ccc(CN([C@H](C)c2ccccc2)C2CC2)nc1 ZINC000338278762 1126730432 /nfs/dbraw/zinc/73/04/32/1126730432.db2.gz OMROQYCWMHGFNT-CQSZACIVSA-N 0 1 282.387 3.816 20 0 CHADMN CC(C)SCCN1CCN([C@H](C)c2ccsc2)CC1 ZINC000338278278 1126730836 /nfs/dbraw/zinc/73/08/36/1126730836.db2.gz GVKROLWPBNAADS-CQSZACIVSA-N 0 1 298.521 3.568 20 0 CHADMN CSc1cccc(NC(=O)c2cccc3nc[nH]c32)c1 ZINC000157821569 1126733709 /nfs/dbraw/zinc/73/37/09/1126733709.db2.gz PGZCVCLQOZWTFX-UHFFFAOYSA-N 0 1 283.356 3.537 20 0 CHADMN CO[C@H](CN1C[C@H](C)O[C@@H](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000338345442 1126736265 /nfs/dbraw/zinc/73/62/65/1126736265.db2.gz AIHGYXDLZYCKDA-WFGGJUAMSA-N 0 1 297.826 3.525 20 0 CHADMN CO[C@H](CN1C[C@H](C)O[C@H](C)[C@H]1C)c1ccc(Cl)cc1 ZINC000338345438 1126736318 /nfs/dbraw/zinc/73/63/18/1126736318.db2.gz AIHGYXDLZYCKDA-VPWBDBDCSA-N 0 1 297.826 3.525 20 0 CHADMN COc1c(Br)cccc1CN1C[C@H](C)C[C@H]1C ZINC000481992150 1126737192 /nfs/dbraw/zinc/73/71/92/1126737192.db2.gz QBFZTSFWMYGBDB-GHMZBOCLSA-N 0 1 298.224 3.688 20 0 CHADMN C[C@H](NCCOc1ccc(Cl)cc1)c1ccncc1F ZINC000338352680 1126737311 /nfs/dbraw/zinc/73/73/11/1126737311.db2.gz YFILNFPOWRYEOM-NSHDSACASA-N 0 1 294.757 3.604 20 0 CHADMN Cc1cccc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)n1 ZINC000338350857 1126737486 /nfs/dbraw/zinc/73/74/86/1126737486.db2.gz KIEBDDQNWPRUAJ-AWEZNQCLSA-N 0 1 298.352 3.945 20 0 CHADMN CC(C)c1nnc(CN(C)[C@H](C)C2CCCCC2)o1 ZINC000338361559 1126737818 /nfs/dbraw/zinc/73/78/18/1126737818.db2.gz VEICUGBHTIBEIV-GFCCVEGCSA-N 0 1 265.401 3.594 20 0 CHADMN COc1c(Br)cccc1CN1CC[C@@H](C)[C@H]1C ZINC000481993268 1126737845 /nfs/dbraw/zinc/73/78/45/1126737845.db2.gz NQYYIMQGCVDHIJ-GHMZBOCLSA-N 0 1 298.224 3.688 20 0 CHADMN Cc1cc(F)cc(-c2noc([C@H]3CCCN3C(C)C)n2)c1 ZINC000923813898 1126744805 /nfs/dbraw/zinc/74/48/05/1126744805.db2.gz VXECIJFWTOPDCM-CQSZACIVSA-N 0 1 289.354 3.729 20 0 CHADMN C[N@@H+](CCCc1c(Cl)cccc1Cl)Cc1cc[nH]n1 ZINC000482157867 1126743555 /nfs/dbraw/zinc/74/35/55/1126743555.db2.gz OABOALQNVDQNSJ-UHFFFAOYSA-N 0 1 298.217 3.781 20 0 CHADMN CN(CCCc1c(Cl)cccc1Cl)Cc1cc[nH]n1 ZINC000482157867 1126743559 /nfs/dbraw/zinc/74/35/59/1126743559.db2.gz OABOALQNVDQNSJ-UHFFFAOYSA-N 0 1 298.217 3.781 20 0 CHADMN CCS[C@H]1CCC[C@H]1NCc1nc2ccccc2o1 ZINC000348483789 1126740263 /nfs/dbraw/zinc/74/02/63/1126740263.db2.gz ZZSGNCGUFWLOGK-OCCSQVGLSA-N 0 1 276.405 3.592 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cccc2n[nH]cc21 ZINC000348486370 1126740732 /nfs/dbraw/zinc/74/07/32/1126740732.db2.gz YMNGVISSAYJUKA-MLGOLLRUSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1nc(C2(NCC3CCCCCC3)CCCC2)no1 ZINC000155747458 1126752293 /nfs/dbraw/zinc/75/22/93/1126752293.db2.gz UDFWXEVOKZVIQN-UHFFFAOYSA-N 0 1 277.412 3.707 20 0 CHADMN C[C@H](c1ccc(Cl)cc1Cl)N(C)C[C@@H](O)C1CC1 ZINC000677892565 1130337561 /nfs/dbraw/zinc/33/75/61/1130337561.db2.gz AHUYJXRJZOVSMI-YMTOWFKASA-N 0 1 288.218 3.757 20 0 CHADMN CC[C@](C)(NCc1sccc1C)c1nccs1 ZINC000152641872 1126757486 /nfs/dbraw/zinc/75/74/86/1126757486.db2.gz XKBOVXPDMPRFFL-ZDUSSCGKSA-N 0 1 266.435 3.928 20 0 CHADMN CC[C@@H](Cc1ccc(Cl)cc1)N[C@H](C)c1nc(C)no1 ZINC000668050059 1126757609 /nfs/dbraw/zinc/75/76/09/1126757609.db2.gz FCVDRZKVGGDDTP-YGRLFVJLSA-N 0 1 293.798 3.703 20 0 CHADMN CN(CCOc1ccccc1C(C)(C)C)Cc1ccccn1 ZINC000482451646 1126757907 /nfs/dbraw/zinc/75/79/07/1126757907.db2.gz KUKZAQWDWKCUPK-UHFFFAOYSA-N 0 1 298.430 3.890 20 0 CHADMN COc1ccccc1CN1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000482480599 1126759443 /nfs/dbraw/zinc/75/94/43/1126759443.db2.gz BXSNEBPBXKJRGV-DGCLKSJQSA-N 0 1 287.325 3.858 20 0 CHADMN CC[C@H](NCc1cn2ccc(C)cc2n1)c1cccs1 ZINC000482515115 1126762778 /nfs/dbraw/zinc/76/27/78/1126762778.db2.gz WIPUDBLZEXQFMT-AWEZNQCLSA-N 0 1 285.416 3.945 20 0 CHADMN OCc1ccc(CNC2(c3ccc(Cl)cc3)CCC2)o1 ZINC000174325416 1126768587 /nfs/dbraw/zinc/76/85/87/1126768587.db2.gz YJSHJIXERSLDPN-UHFFFAOYSA-N 0 1 291.778 3.594 20 0 CHADMN Cc1nc([C@@H](C)N[C@H]2CCCC(F)(F)C2)c(C)s1 ZINC000678600107 1130437307 /nfs/dbraw/zinc/43/73/07/1130437307.db2.gz IVIVJTDYWIRUPF-KCJUWKMLSA-N 0 1 274.380 3.988 20 0 CHADMN CCC1CN(Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000668229225 1126779116 /nfs/dbraw/zinc/77/91/16/1126779116.db2.gz BEXFJJQYYRHAFE-UHFFFAOYSA-N 0 1 286.350 3.855 20 0 CHADMN CCc1cccc2cc(CN3CC(C)(CCOC)C3)oc21 ZINC000668233773 1126779519 /nfs/dbraw/zinc/77/95/19/1126779519.db2.gz LXKFMNSPITWQBH-UHFFFAOYSA-N 0 1 287.403 3.854 20 0 CHADMN CCc1nnc(S[C@H](C)Cc2ccc3ccccc3n2)[nH]1 ZINC000175246834 1126779612 /nfs/dbraw/zinc/77/96/12/1126779612.db2.gz ZZNNNRZIEBYEKC-LLVKDONJSA-N 0 1 298.415 3.639 20 0 CHADMN CCc1n[nH]c(S[C@H](C)Cc2ccc3ccccc3n2)n1 ZINC000175246834 1126779615 /nfs/dbraw/zinc/77/96/15/1126779615.db2.gz ZZNNNRZIEBYEKC-LLVKDONJSA-N 0 1 298.415 3.639 20 0 CHADMN CCOc1ccc(CN2CC(CC(F)(F)F)C2)c(C)c1 ZINC000668232250 1126780561 /nfs/dbraw/zinc/78/05/61/1126780561.db2.gz IYGKAORMNHRVHA-UHFFFAOYSA-N 0 1 287.325 3.778 20 0 CHADMN CC[C@H](NCc1noc(C(C)(C)C)n1)C1CCCCC1 ZINC000678895716 1130468097 /nfs/dbraw/zinc/46/80/97/1130468097.db2.gz SWMRXSFRFAENRW-ZDUSSCGKSA-N 0 1 279.428 3.816 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cc2cn(C(C)(C)C)nn2)CC1 ZINC000483271083 1126777330 /nfs/dbraw/zinc/77/73/30/1126777330.db2.gz RAFDMVZZKHFPKR-AWEZNQCLSA-N 0 1 292.471 3.681 20 0 CHADMN C[C@@H](N1CCN(CCC2CCCCC2)CC1)C(F)(F)F ZINC000483266897 1126777757 /nfs/dbraw/zinc/77/77/57/1126777757.db2.gz ILULSNNUCPZGIG-CYBMUJFWSA-N 0 1 292.389 3.525 20 0 CHADMN COc1ccc(Cl)c(CN2CCCC[C@H]2C)c1 ZINC000483513747 1126790880 /nfs/dbraw/zinc/79/08/80/1126790880.db2.gz GCDYFMIUSDWRSH-LLVKDONJSA-N 0 1 253.773 3.723 20 0 CHADMN COc1cc(C)cc(CN[C@H](c2ccccn2)C2CC2)c1 ZINC000903127569 1126794849 /nfs/dbraw/zinc/79/48/49/1126794849.db2.gz IUSQKTSDHSPKIA-SFHVURJKSA-N 0 1 282.387 3.640 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1ccc(-n2ccnc2)nc1 ZINC000177032227 1126796733 /nfs/dbraw/zinc/79/67/33/1126796733.db2.gz KPCCMACAEDJGJI-ZDUSSCGKSA-N 0 1 298.415 3.522 20 0 CHADMN C[C@@H](N[C@@H](C)CC1CCCC1)c1nc(C(C)(C)C)no1 ZINC000483655820 1126796992 /nfs/dbraw/zinc/79/69/92/1126796992.db2.gz QAKFGDTXCSTKNZ-NWDGAFQWSA-N 0 1 279.428 3.987 20 0 CHADMN CCc1ccc(-c2noc([C@@H](C)N[C@H](C)C3CC3)n2)cc1 ZINC000483654662 1126797156 /nfs/dbraw/zinc/79/71/56/1126797156.db2.gz OKNLROMLQXHIAB-VXGBXAGGSA-N 0 1 285.391 3.748 20 0 CHADMN CCCC[C@@H](COC)N[C@H](C)c1c(F)cccc1OC ZINC000483730075 1126798264 /nfs/dbraw/zinc/79/82/64/1126798264.db2.gz PONUDMOWBKUIBO-OLZOCXBDSA-N 0 1 283.387 3.690 20 0 CHADMN C[C@@H](N(C)CC(=O)Nc1ccc(F)cc1Cl)C1(C)CC1 ZINC000177240364 1126799640 /nfs/dbraw/zinc/79/96/40/1126799640.db2.gz VDUHKRLJCWJKJZ-SNVBAGLBSA-N 0 1 298.789 3.538 20 0 CHADMN Cc1cccnc1[C@H](N[C@@H](C)c1cnn(C)c1)C(C)(C)C ZINC000903327916 1126802031 /nfs/dbraw/zinc/80/20/31/1126802031.db2.gz BHXASYGSMRTMIU-BBRMVZONSA-N 0 1 286.423 3.562 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1cscn1 ZINC000177543256 1126802879 /nfs/dbraw/zinc/80/28/79/1126802879.db2.gz WOQOTCRAZCCEQC-DOMZBBRYSA-N 0 1 258.390 3.521 20 0 CHADMN CC1(C)CC[C@@H](CN2CCc3cc(Cl)ccc3C2)O1 ZINC000483975367 1126806992 /nfs/dbraw/zinc/80/69/92/1126806992.db2.gz FUOVLFAMFUDNNI-HNNXBMFYSA-N 0 1 279.811 3.656 20 0 CHADMN Cc1ccc2c(c1)CCN(CCC(=O)c1ccc(F)cc1)C2 ZINC000483978579 1126807837 /nfs/dbraw/zinc/80/78/37/1126807837.db2.gz PXMZLBNOEKMLHX-UHFFFAOYSA-N 0 1 297.373 3.765 20 0 CHADMN COc1ccc([C@@H](C)NCc2cn3c(cccc3C)n2)cc1 ZINC000178061230 1126808217 /nfs/dbraw/zinc/80/82/17/1126808217.db2.gz CNKIMVBTQOLHDK-CQSZACIVSA-N 0 1 295.386 3.502 20 0 CHADMN C[C@H](N[C@@H]1CCc2cc(F)ccc21)c1cncc(F)c1 ZINC000178089243 1126808625 /nfs/dbraw/zinc/80/86/25/1126808625.db2.gz DUSKUCZNYUHEAV-MGPLVRAMSA-N 0 1 274.314 3.698 20 0 CHADMN Cc1cccc2nc(CN[C@H]3c4ccccc4C[C@@H]3C)cn21 ZINC000178058262 1126808661 /nfs/dbraw/zinc/80/86/61/1126808661.db2.gz GAHVLFOIULDTSG-ORAYPTAESA-N 0 1 291.398 3.666 20 0 CHADMN C[C@@H](N[C@H]1CCc2cc(F)ccc21)c1cncc(F)c1 ZINC000178089283 1126808713 /nfs/dbraw/zinc/80/87/13/1126808713.db2.gz DUSKUCZNYUHEAV-HWPZZCPQSA-N 0 1 274.314 3.698 20 0 CHADMN COc1ccc(CN2C[C@@H]3CCCC[C@@H]32)c(OC(F)F)c1 ZINC000668299843 1126809065 /nfs/dbraw/zinc/80/90/65/1126809065.db2.gz VIKUEBPQEXZFFV-FZMZJTMJSA-N 0 1 297.345 3.671 20 0 CHADMN CC(C)Oc1ccc(CN[C@@H](C)c2ccsc2)cn1 ZINC000178129555 1126809510 /nfs/dbraw/zinc/80/95/10/1126809510.db2.gz ZGQBJIDHHHGPDR-LBPRGKRZSA-N 0 1 276.405 3.781 20 0 CHADMN CCc1nc(C)c([C@@H](C)NCc2ccc(Cl)nc2)s1 ZINC000178247018 1126810622 /nfs/dbraw/zinc/81/06/22/1126810622.db2.gz CSEIFQCMLOVULP-SECBINFHSA-N 0 1 295.839 3.913 20 0 CHADMN C[C@@H](N[C@H]1CCOc2c(Cl)cccc21)c1cccnc1 ZINC000178314081 1126811356 /nfs/dbraw/zinc/81/13/56/1126811356.db2.gz JDXTZMXDKGSFMW-ABAIWWIYSA-N 0 1 288.778 3.909 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](C)c1ccsc1 ZINC000178447076 1126813446 /nfs/dbraw/zinc/81/34/46/1126813446.db2.gz WUWHYEQDZTYRNG-LBPRGKRZSA-N 0 1 261.390 3.916 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc(F)cc(F)c2)cc1F ZINC000178530482 1126815153 /nfs/dbraw/zinc/81/51/53/1126815153.db2.gz UCECNJMKZDBCKF-JTQLQIEISA-N 0 1 295.304 3.963 20 0 CHADMN COc1cc(C)ccc1CN[C@H]1CCCc2ncccc21 ZINC000631591347 1126816961 /nfs/dbraw/zinc/81/69/61/1126816961.db2.gz USQXXZCWFDGJEJ-KRWDZBQOSA-N 0 1 282.387 3.566 20 0 CHADMN Oc1c(F)cccc1-c1nc([C@H]2CCCCS2)no1 ZINC000904029793 1126821866 /nfs/dbraw/zinc/82/18/66/1126821866.db2.gz RIUSUZIDKGQYKW-SNVBAGLBSA-N 0 1 280.324 3.540 20 0 CHADMN c1cc(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)co1 ZINC000179103891 1126823377 /nfs/dbraw/zinc/82/33/77/1126823377.db2.gz BHIQOGRLWZLFTG-QGZVFWFLSA-N 0 1 283.371 3.772 20 0 CHADMN Cc1cccc(C)c1OC[C@@H](C)N[C@H](C)c1nccs1 ZINC000179406719 1126826568 /nfs/dbraw/zinc/82/65/68/1126826568.db2.gz OEDZPDWTIMQDAZ-ZIAGYGMSSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1cccc(C)c1OC[C@@H](C)N[C@@H](C)c1nccs1 ZINC000179406697 1126827290 /nfs/dbraw/zinc/82/72/90/1126827290.db2.gz OEDZPDWTIMQDAZ-KGLIPLIRSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1ccc(-c2noc([C@@H]3CC[C@@H]4CCCC[C@H]4N3)n2)o1 ZINC000904108489 1126829028 /nfs/dbraw/zinc/82/90/28/1126829028.db2.gz VYFYGZNEZPDGIX-XQQFMLRXSA-N 0 1 287.363 3.621 20 0 CHADMN CN[C@@H](CC(C)C)c1nc([C@@H](C)C(C)(C)C)no1 ZINC000904093848 1126830062 /nfs/dbraw/zinc/83/00/62/1126830062.db2.gz DXQYRNXRSNNQOK-MNOVXSKESA-N 0 1 253.390 3.526 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(-c2occc2C(C)C)no1 ZINC000904121170 1126830801 /nfs/dbraw/zinc/83/08/01/1126830801.db2.gz KZGGHEQFEGDFEC-LBPRGKRZSA-N 0 1 277.368 3.760 20 0 CHADMN C[C@@H](c1ccco1)N(C)Cc1cn(C)nc1-c1ccccc1 ZINC000179682898 1126831665 /nfs/dbraw/zinc/83/16/65/1126831665.db2.gz XWPQJCBPLTTYFM-AWEZNQCLSA-N 0 1 295.386 3.873 20 0 CHADMN CC(C)n1cc(CN2CCC[C@H]2c2cccs2)cn1 ZINC000179692156 1126832932 /nfs/dbraw/zinc/83/29/32/1126832932.db2.gz RFPWBSSVHGRTOF-AWEZNQCLSA-N 0 1 275.421 3.863 20 0 CHADMN CCCCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179833857 1126834740 /nfs/dbraw/zinc/83/47/40/1126834740.db2.gz UMXRHPAPSNDNRV-UHFFFAOYSA-N 0 1 267.279 3.629 20 0 CHADMN CC(C)CCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179857354 1126835775 /nfs/dbraw/zinc/83/57/75/1126835775.db2.gz WZUOVVGERAOCQO-UHFFFAOYSA-N 0 1 281.306 3.875 20 0 CHADMN Cc1noc(C)c1CN[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000180233896 1126841389 /nfs/dbraw/zinc/84/13/89/1126841389.db2.gz POSPCQQSHXETLL-APPDUMDISA-N 0 1 270.376 3.623 20 0 CHADMN Fc1cccc(CCCSc2nc(C3CC3)n[nH]2)c1 ZINC000180024220 1126838577 /nfs/dbraw/zinc/83/85/77/1126838577.db2.gz HNXDPLSJCOPOON-UHFFFAOYSA-N 0 1 277.368 3.546 20 0 CHADMN Fc1cccc(CCCSc2n[nH]c(C3CC3)n2)c1 ZINC000180024220 1126838580 /nfs/dbraw/zinc/83/85/80/1126838580.db2.gz HNXDPLSJCOPOON-UHFFFAOYSA-N 0 1 277.368 3.546 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000180233912 1126841138 /nfs/dbraw/zinc/84/11/38/1126841138.db2.gz POSPCQQSHXETLL-GTNSWQLSSA-N 0 1 270.376 3.623 20 0 CHADMN COc1ccccc1OCCN1CC[C@H]1c1ccccc1 ZINC000348538968 1126842512 /nfs/dbraw/zinc/84/25/12/1126842512.db2.gz IPZLAQZHFDWYMB-INIZCTEOSA-N 0 1 283.371 3.521 20 0 CHADMN CC(C)N1CCC[C@H]1c1nc(-c2cc(F)cc(F)c2)no1 ZINC000923815981 1126850944 /nfs/dbraw/zinc/85/09/44/1126850944.db2.gz XRWLJFLQHUTERY-ZDUSSCGKSA-N 0 1 293.317 3.560 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000904399760 1126851973 /nfs/dbraw/zinc/85/19/73/1126851973.db2.gz AXBUKEVDNCWRGV-GOSISDBHSA-N 0 1 289.419 3.541 20 0 CHADMN C[C@H]1CCCN1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181092840 1126852229 /nfs/dbraw/zinc/85/22/29/1126852229.db2.gz IDXZPAITYKNTHC-QMMMGPOBSA-N 0 1 294.305 3.517 20 0 CHADMN Cc1ccc(F)c2oc(-c3nc([C@H](N)C(C)C)no3)cc21 ZINC000904500630 1126854555 /nfs/dbraw/zinc/85/45/55/1126854555.db2.gz NPPCYZULHVMRHK-GFCCVEGCSA-N 0 1 289.310 3.586 20 0 CHADMN Cc1ccc(C[N@H+](CCCCC(=O)[O-])C(C)C)s1 ZINC000181549807 1126858020 /nfs/dbraw/zinc/85/80/20/1126858020.db2.gz LQLMQADWQKEIAX-UHFFFAOYSA-N 0 1 269.410 3.522 20 0 CHADMN Cc1csc([C@@H](NCCOc2ccccc2)C2CC2)n1 ZINC000181617165 1126858325 /nfs/dbraw/zinc/85/83/25/1126858325.db2.gz KTZQKZGYXYNCAC-HNNXBMFYSA-N 0 1 288.416 3.571 20 0 CHADMN C[C@@H](NCc1cc(Cl)nc(Cl)c1)c1cccc(O)c1 ZINC000759677536 1130669243 /nfs/dbraw/zinc/66/92/43/1130669243.db2.gz XIEIQAUZSBZBBL-SECBINFHSA-N 0 1 297.185 3.945 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2NCc1ccc(Cl)cn1 ZINC000182112851 1126866348 /nfs/dbraw/zinc/86/63/48/1126866348.db2.gz DRCBYNLPXFUTMN-HNNXBMFYSA-N 0 1 276.742 3.651 20 0 CHADMN CCN(C(=O)c1cccc2n[nH]cc21)[C@@H]1CCCC[C@H]1C ZINC000066674869 1126862926 /nfs/dbraw/zinc/86/29/26/1126862926.db2.gz ORTZXNLFDFYCKG-MLGOLLRUSA-N 0 1 285.391 3.604 20 0 CHADMN CN(C)Cc1ccc(-c2ccncc2C2CC2)cc1F ZINC000904759194 1126869224 /nfs/dbraw/zinc/86/92/24/1126869224.db2.gz FMJKVBYPGKOFAQ-UHFFFAOYSA-N 0 1 270.351 3.827 20 0 CHADMN CCCC[N@@H+](CC)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000485015401 1126875804 /nfs/dbraw/zinc/87/58/04/1126875804.db2.gz SDAJAWRVQQIORP-HNNXBMFYSA-N 0 1 294.826 3.567 20 0 CHADMN CCCc1ccc(-c2cnc([C@H]3CCCCN3)nc2)cc1 ZINC000904887924 1126880473 /nfs/dbraw/zinc/88/04/73/1126880473.db2.gz GNBOBNMCFZGSRG-QGZVFWFLSA-N 0 1 281.403 3.911 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccccn2)ccc1F ZINC000183674872 1126891156 /nfs/dbraw/zinc/89/11/56/1126891156.db2.gz VFOBNQGJWRDMRJ-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN CC[C@@H](NCCOc1ccccc1)c1nc(C)cs1 ZINC000184401950 1126895210 /nfs/dbraw/zinc/89/52/10/1126895210.db2.gz ZATJRXYBOMZFFD-CQSZACIVSA-N 0 1 276.405 3.571 20 0 CHADMN Cc1cc(F)c(CN2CCC23CCCC3)c(F)c1 ZINC001235188824 1130721032 /nfs/dbraw/zinc/72/10/32/1130721032.db2.gz FAUIUGLEBYVQJR-UHFFFAOYSA-N 0 1 251.320 3.792 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1)CC(C)(C)C ZINC000905373483 1126899586 /nfs/dbraw/zinc/89/95/86/1126899586.db2.gz QPMCETZIPHUWFP-UKRRQHHQSA-N 0 1 277.408 3.816 20 0 CHADMN CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000185723982 1126901962 /nfs/dbraw/zinc/90/19/62/1126901962.db2.gz PLRVCGLWDLOVLB-NXEZZACHSA-N 0 1 293.317 3.731 20 0 CHADMN CCC[C@H](NCc1ccccc1F)c1cccnc1 ZINC000184855728 1126897133 /nfs/dbraw/zinc/89/71/33/1126897133.db2.gz VNTKEPABGOAYQS-INIZCTEOSA-N 0 1 258.340 3.852 20 0 CHADMN COCC1=CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000185811352 1126903155 /nfs/dbraw/zinc/90/31/55/1126903155.db2.gz UAKCIJFVMQFSSM-LBPRGKRZSA-N 0 1 265.784 3.680 20 0 CHADMN c1coc(C2CCN(Cc3cnc(C4CC4)s3)CC2)c1 ZINC000668462155 1126904755 /nfs/dbraw/zinc/90/47/55/1126904755.db2.gz LMGHARPUCULPHG-UHFFFAOYSA-N 0 1 288.416 3.993 20 0 CHADMN Cc1cn[nH]c1CN1CCc2ccc(Cl)c(Cl)c2C1 ZINC000668480737 1126912329 /nfs/dbraw/zinc/91/23/29/1126912329.db2.gz SGXPRSJFTSMBDZ-UHFFFAOYSA-N 0 1 296.201 3.583 20 0 CHADMN CCOc1cc(CN2CCC[C@H]3CCCC[C@@H]32)c(F)cn1 ZINC001238726083 1131238730 /nfs/dbraw/zinc/23/87/30/1131238730.db2.gz BJMPQKRPCAXGOM-CJNGLKHVSA-N 0 1 292.398 3.774 20 0 CHADMN Cc1ccnc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1C1CC1 ZINC000668511109 1126925069 /nfs/dbraw/zinc/92/50/69/1126925069.db2.gz FKICGHPJIMEREG-DABQJJPHSA-N 0 1 260.381 3.635 20 0 CHADMN c1cc(C2CCN(Cc3cncs3)CC2)cs1 ZINC000188695917 1126925096 /nfs/dbraw/zinc/92/50/96/1126925096.db2.gz DBXHLZAUCRYRDF-UHFFFAOYSA-N 0 1 264.419 3.584 20 0 CHADMN Cc1cccc([C@@H](O)CN2CC(C)(C)[C@@H]2c2ccncc2)c1 ZINC000905954375 1126923372 /nfs/dbraw/zinc/92/33/72/1126923372.db2.gz APSVGJXCDXGJIT-ROUUACIJSA-N 0 1 296.414 3.507 20 0 CHADMN CCc1nn(C)c(CC)c1CNc1nccc(C)c1C1CC1 ZINC000668512112 1126924090 /nfs/dbraw/zinc/92/40/90/1126924090.db2.gz JQMIIRXPKYRTFM-UHFFFAOYSA-N 0 1 298.434 3.738 20 0 CHADMN Fc1cccc([C@H](NC[C@@H]2CCC=CO2)c2ccccn2)c1 ZINC000188570264 1126924542 /nfs/dbraw/zinc/92/45/42/1126924542.db2.gz QRUKBYDKIFXZDS-WMZOPIPTSA-N 0 1 298.361 3.592 20 0 CHADMN CC(C)Oc1c(CN2CC[C@H](C)C2)ccc(F)c1F ZINC001238738223 1131238891 /nfs/dbraw/zinc/23/88/91/1131238891.db2.gz ADNAETUWRICSLS-NSHDSACASA-N 0 1 269.335 3.594 20 0 CHADMN CC1(CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)CCCC1 ZINC000188186538 1126920226 /nfs/dbraw/zinc/92/02/26/1126920226.db2.gz YGIJIKKEBBFCSM-HNNXBMFYSA-N 0 1 287.382 3.808 20 0 CHADMN COCC1(C2CCC2)CN(Cc2ccc(SC)cc2)C1 ZINC000668513741 1126925746 /nfs/dbraw/zinc/92/57/46/1126925746.db2.gz XBXUZQUMNSVQEF-UHFFFAOYSA-N 0 1 291.460 3.657 20 0 CHADMN CSc1ccc(NC(=O)c2cn[nH]c2C(C)C)cc1 ZINC000188930024 1126927042 /nfs/dbraw/zinc/92/70/42/1126927042.db2.gz ABWOLWNZXXTTHX-UHFFFAOYSA-N 0 1 275.377 3.507 20 0 CHADMN Fc1ccc(-c2cnc([C@@H]3CCCCN3)nc2)c(Cl)c1 ZINC000906182456 1126935346 /nfs/dbraw/zinc/93/53/46/1126935346.db2.gz NNSURDDQRCAUSA-AWEZNQCLSA-N 0 1 291.757 3.751 20 0 CHADMN FC(F)c1cscc1-c1cnc([C@H]2CCCCN2)nc1 ZINC000906193049 1126936562 /nfs/dbraw/zinc/93/65/62/1126936562.db2.gz DMCNSDIFYVGUFF-GFCCVEGCSA-N 0 1 295.358 3.957 20 0 CHADMN CC(C)Oc1ccc(-c2cnc([C@@H]3CCCCN3)nc2)cc1 ZINC000906170700 1126933602 /nfs/dbraw/zinc/93/36/02/1126933602.db2.gz IDIYPGAUQZMVTO-KRWDZBQOSA-N 0 1 297.402 3.745 20 0 CHADMN Cc1cncc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)c1 ZINC000189750773 1126933732 /nfs/dbraw/zinc/93/37/32/1126933732.db2.gz ROFCQHPYTXAVTE-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN Cc1cncc(CN(C)[C@H](C)c2ccc(F)cc2)c1 ZINC000189750773 1126933733 /nfs/dbraw/zinc/93/37/33/1126933733.db2.gz ROFCQHPYTXAVTE-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](NCc1ccccn1)CC2 ZINC000189620404 1126934355 /nfs/dbraw/zinc/93/43/55/1126934355.db2.gz JJVVICOAUHXXDX-GOSISDBHSA-N 0 1 266.388 3.982 20 0 CHADMN Fc1ccc(Cl)cc1-c1cnc([C@@H]2CCCCN2)nc1 ZINC000906207624 1126938550 /nfs/dbraw/zinc/93/85/50/1126938550.db2.gz YBINBCVEWSQMLZ-AWEZNQCLSA-N 0 1 291.757 3.751 20 0 CHADMN Cc1cc(NC(=O)c2cn[nH]c2C2CC2)ccc1OC(C)C ZINC000190496529 1126942170 /nfs/dbraw/zinc/94/21/70/1126942170.db2.gz WNIOFZPTOBEOBZ-UHFFFAOYSA-N 0 1 299.374 3.635 20 0 CHADMN Cc1c([C@H](C)N[C@@H](C)c2cccnc2)cnn1C(C)(C)C ZINC000191125633 1126947981 /nfs/dbraw/zinc/94/79/81/1126947981.db2.gz YNSDHQWROVCFEM-STQMWFEESA-N 0 1 286.423 3.753 20 0 CHADMN Cc1c([C@H](C)NCc2ccccc2F)cnn1C(C)C ZINC000191114843 1126948204 /nfs/dbraw/zinc/94/82/04/1126948204.db2.gz IWZKDOGUJKJHNB-LBPRGKRZSA-N 0 1 275.371 3.762 20 0 CHADMN Cc1ccc(CN[C@H]2CCOc3c(F)cccc32)s1 ZINC000191124978 1126948232 /nfs/dbraw/zinc/94/82/32/1126948232.db2.gz RXBMKULZTLENOV-AWEZNQCLSA-N 0 1 277.364 3.809 20 0 CHADMN C[C@H](NC[C@@H]1CC[C@H](C)O1)c1ncc(-c2ccccc2)o1 ZINC000191100933 1126948244 /nfs/dbraw/zinc/94/82/44/1126948244.db2.gz ZWAREVDEJPTZHN-YDHLFZDLSA-N 0 1 286.375 3.560 20 0 CHADMN Cc1c([C@H](C)N[C@H](C)c2cccnc2)cnn1C(C)C ZINC000191125590 1126948272 /nfs/dbraw/zinc/94/82/72/1126948272.db2.gz HHUQGFYKOXPFMI-OLZOCXBDSA-N 0 1 272.396 3.579 20 0 CHADMN C[C@@H](c1nc(-c2ccsc2)no1)N1CCCCCC1 ZINC000191160153 1126948693 /nfs/dbraw/zinc/94/86/93/1126948693.db2.gz YVZRPRXJPIXSBF-NSHDSACASA-N 0 1 277.393 3.735 20 0 CHADMN C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1csc(Cl)c1 ZINC000191204729 1126948756 /nfs/dbraw/zinc/94/87/56/1126948756.db2.gz KVIZCZLYHAPTQT-ZDBHGNHJSA-N 0 1 293.819 3.710 20 0 CHADMN C[C@@H](c1nc(Cc2ccccc2)no1)N1[C@@H](C)CC[C@@H]1C ZINC000191161962 1126948879 /nfs/dbraw/zinc/94/88/79/1126948879.db2.gz DWBILEQFSXZZNV-IHRRRGAJSA-N 0 1 285.391 3.594 20 0 CHADMN CC(C)=CCN[C@H](C)c1nc2c(s1)CCCC2 ZINC000191258653 1126949543 /nfs/dbraw/zinc/94/95/43/1126949543.db2.gz VTJAKAWKNAXHHI-LLVKDONJSA-N 0 1 250.411 3.639 20 0 CHADMN CCC(CC)[C@H](NCc1cn(C2CC2)nn1)c1ccccc1 ZINC000906288523 1126945334 /nfs/dbraw/zinc/94/53/34/1126945334.db2.gz YGBJHYHUNNGPEK-SFHVURJKSA-N 0 1 298.434 3.880 20 0 CHADMN FC(F)(F)[C@@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000782960594 1130793232 /nfs/dbraw/zinc/79/32/32/1130793232.db2.gz SNIKKCNMRQZTGS-LLVKDONJSA-N 0 1 263.328 3.565 20 0 CHADMN CC(C)c1nnc(CN[C@H]2CCC[C@@H]2Cc2ccccc2)o1 ZINC000191355703 1126951176 /nfs/dbraw/zinc/95/11/76/1126951176.db2.gz IXOOBRFHPRVDML-CVEARBPZSA-N 0 1 299.418 3.694 20 0 CHADMN Fc1cccc([C@@H]2C[C@@H]2N2CCC(c3ncco3)CC2)c1 ZINC000906591782 1126959209 /nfs/dbraw/zinc/95/92/09/1126959209.db2.gz XVNQVRJIEJBAEX-HOTGVXAUSA-N 0 1 286.350 3.549 20 0 CHADMN Fc1cccc([C@@H]2C[C@@H]2N2CC[C@@H](C(F)(F)F)C2)c1 ZINC000906585875 1126959675 /nfs/dbraw/zinc/95/96/75/1126959675.db2.gz BAOZRNSNVVAQKY-WXHSDQCUSA-N 0 1 273.273 3.566 20 0 CHADMN Cc1sc(NC(=O)CN2CCCCC[C@@H]2C)c(C)c1C ZINC000485898901 1126960976 /nfs/dbraw/zinc/96/09/76/1126960976.db2.gz LPFJJACZQHKOLV-NSHDSACASA-N 0 1 294.464 3.876 20 0 CHADMN Fc1ccccc1CN[C@H]1CCCNc2ccccc21 ZINC000192597877 1126962545 /nfs/dbraw/zinc/96/25/45/1126962545.db2.gz KMNVRMCZRCPAKZ-KRWDZBQOSA-N 0 1 270.351 3.862 20 0 CHADMN O=C(Nc1ccccc1-c1nnc[nH]1)[C@H]1CCC=CCCC1 ZINC000907116268 1126972826 /nfs/dbraw/zinc/97/28/26/1126972826.db2.gz XNEMHFNQBSOVDG-ZDUSSCGKSA-N 0 1 296.374 3.547 20 0 CHADMN C[C@H](c1ccncc1)N(C)Cc1cc(Cl)cs1 ZINC000194481004 1126974848 /nfs/dbraw/zinc/97/48/48/1126974848.db2.gz KXLYSMRPNNQLEE-SNVBAGLBSA-N 0 1 266.797 3.990 20 0 CHADMN COc1cc(C)ccc1CN[C@H](C)c1cccc(O)c1 ZINC000194913571 1126977380 /nfs/dbraw/zinc/97/73/80/1126977380.db2.gz KJOKHBMVNQMBJN-CYBMUJFWSA-N 0 1 271.360 3.560 20 0 CHADMN CCc1nc([C@@H](C)N(CC)Cc2cccc(Cl)c2)n[nH]1 ZINC000659843554 1126979850 /nfs/dbraw/zinc/97/98/50/1126979850.db2.gz WHNGNIASXLOOTH-LLVKDONJSA-N 0 1 292.814 3.604 20 0 CHADMN CCC(C)(C)N(C)Cc1csc(-c2ccccn2)n1 ZINC000266728939 1126987734 /nfs/dbraw/zinc/98/77/34/1126987734.db2.gz JVOCUPPBSYDVAC-UHFFFAOYSA-N 0 1 275.421 3.826 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)C1(C2CC2)CCC1 ZINC000908187448 1126995312 /nfs/dbraw/zinc/99/53/12/1126995312.db2.gz FELGMVFBAKYVEG-UHFFFAOYSA-N 0 1 283.730 3.704 20 0 CHADMN C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1Cl ZINC000267231323 1126995595 /nfs/dbraw/zinc/99/55/95/1126995595.db2.gz LBQIKTFXHOLFHG-ZTFRIQLXSA-N 0 1 287.790 3.649 20 0 CHADMN C[C@H](c1cccnc1)N1CCSC2(CCCCC2)C1 ZINC000267433453 1126999860 /nfs/dbraw/zinc/99/98/60/1126999860.db2.gz DYMGCHGZAUOLKJ-CQSZACIVSA-N 0 1 276.449 3.894 20 0 CHADMN Cc1ccc([C@@H](O)CN[C@H](C)c2ccccc2Cl)o1 ZINC000267285519 1126996431 /nfs/dbraw/zinc/99/64/31/1126996431.db2.gz WGNFNEXDVWVKRR-RISCZKNCSA-N 0 1 279.767 3.626 20 0 CHADMN C[C@@H]1CN(Cc2nc3ccccc3n2C(F)F)C[C@H]1C ZINC000267799920 1127006427 /nfs/dbraw/zinc/00/64/27/1127006427.db2.gz KSXINQGPMAGXHT-GHMZBOCLSA-N 0 1 279.334 3.519 20 0 CHADMN Cc1ncc(C(=O)N2CCCC[C@@H]2c2cccc(C)c2C)[nH]1 ZINC000267943792 1127008742 /nfs/dbraw/zinc/00/87/42/1127008742.db2.gz HVCFSSRZXWZXCM-QGZVFWFLSA-N 0 1 297.402 3.702 20 0 CHADMN CCC1(CC)CCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000268034324 1127010342 /nfs/dbraw/zinc/01/03/42/1127010342.db2.gz NEURPORILDFIQA-CYBMUJFWSA-N 0 1 299.418 3.909 20 0 CHADMN COc1ccc(F)cc1CN1CCC(OC(C)(C)C)CC1 ZINC000268295912 1127014938 /nfs/dbraw/zinc/01/49/38/1127014938.db2.gz LBIAHJUEAQCOHA-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN COCc1ccc(CN[C@@H](c2ccc(C)cc2)C2CC2)o1 ZINC000268768754 1127023820 /nfs/dbraw/zinc/02/38/20/1127023820.db2.gz CZBVNMCWJFXKLA-SFHVURJKSA-N 0 1 285.387 3.975 20 0 CHADMN Cc1ccc([C@H](C)NCc2cn3ccsc3n2)cc1C ZINC000268798882 1127024328 /nfs/dbraw/zinc/02/43/28/1127024328.db2.gz JOSLXGLXZAWFIJ-ZDUSSCGKSA-N 0 1 285.416 3.863 20 0 CHADMN CCC1(CNC(=O)c2sccc2CN(C)C)CCCC1 ZINC000268608229 1127020339 /nfs/dbraw/zinc/02/03/39/1127020339.db2.gz ZCTCPZFWUNOXNY-UHFFFAOYSA-N 0 1 294.464 3.510 20 0 CHADMN Cc1cscc1CNCc1cnc([C@H]2CCCO2)s1 ZINC000487183706 1127021933 /nfs/dbraw/zinc/02/19/33/1127021933.db2.gz DVAGWZJOBTYKHR-CYBMUJFWSA-N 0 1 294.445 3.654 20 0 CHADMN Cn1ncc2c1CCC[C@H]2N[C@@H]1CC(C)(C)Cc2occc21 ZINC000268831038 1127025384 /nfs/dbraw/zinc/02/53/84/1127025384.db2.gz QYKATVGONKGFMS-HUUCEWRRSA-N 0 1 299.418 3.694 20 0 CHADMN CC(C)c1cccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000268840420 1127026025 /nfs/dbraw/zinc/02/60/25/1127026025.db2.gz CMBCNOJVUHNLQU-HNNXBMFYSA-N 0 1 298.390 3.732 20 0 CHADMN Cc1ccn2cc(CN[C@@H]3CCCc4sccc43)nc2c1 ZINC000268944627 1127029630 /nfs/dbraw/zinc/02/96/30/1127029630.db2.gz WEMRCBLOONSNSN-OAHLLOKOSA-N 0 1 297.427 3.871 20 0 CHADMN Cc1ccc([C@@H](O)CN[C@H](C)c2ccc(F)cc2Cl)o1 ZINC000269074007 1127034680 /nfs/dbraw/zinc/03/46/80/1127034680.db2.gz XQSDCFRHAKUKSN-YGRLFVJLSA-N 0 1 297.757 3.765 20 0 CHADMN C[C@H]1C[C@@H]1C(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1 ZINC000909708133 1127034919 /nfs/dbraw/zinc/03/49/19/1127034919.db2.gz GCAUHOFIMOJQET-ZANVPECISA-N 0 1 299.349 3.688 20 0 CHADMN C[C@@H]1C[C@H]1C(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1 ZINC000909708130 1127034989 /nfs/dbraw/zinc/03/49/89/1127034989.db2.gz GCAUHOFIMOJQET-NOZJJQNGSA-N 0 1 299.349 3.688 20 0 CHADMN CCCCC[C@@H](C)CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268976789 1127031065 /nfs/dbraw/zinc/03/10/65/1127031065.db2.gz MPRNWNJSLKDJTM-TZMCWYRMSA-N 0 1 277.412 3.510 20 0 CHADMN Cc1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccsc1 ZINC000669828500 1127031246 /nfs/dbraw/zinc/03/12/46/1127031246.db2.gz OECWWWRSPPSQEW-OLZOCXBDSA-N 0 1 288.416 3.734 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H](C)Oc2ccc(F)cc2)cs1 ZINC000269396365 1127038489 /nfs/dbraw/zinc/03/84/89/1127038489.db2.gz DXMVIXHFDHBNPY-MNOVXSKESA-N 0 1 294.395 3.709 20 0 CHADMN CCOC1(C)CCN([C@H](C)c2cc(F)ccc2F)CC1 ZINC000428722064 1127038914 /nfs/dbraw/zinc/03/89/14/1127038914.db2.gz GPAOJYCHCFKLMI-GFCCVEGCSA-N 0 1 283.362 3.917 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H](C)COc2cccc(C)c2)cs1 ZINC000269456870 1127039739 /nfs/dbraw/zinc/03/97/39/1127039739.db2.gz XGDNHVRZTNRXEI-QWHCGFSZSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1occc1CNCc1cc(Br)cs1 ZINC000067217930 1127043366 /nfs/dbraw/zinc/04/33/66/1127043366.db2.gz BEKKKYUXWUBSHQ-UHFFFAOYSA-N 0 1 286.194 3.702 20 0 CHADMN COc1ccccc1[C@@H](NC[C@H](C)C1CC1)c1ccccn1 ZINC000924828212 1127043738 /nfs/dbraw/zinc/04/37/38/1127043738.db2.gz NDGTWAHUVCIUCZ-IFXJQAMLSA-N 0 1 296.414 3.815 20 0 CHADMN CCC(C)(C)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000269775073 1127046525 /nfs/dbraw/zinc/04/65/25/1127046525.db2.gz RGNWVSVSWAJLGQ-UHFFFAOYSA-N 0 1 266.332 3.782 20 0 CHADMN CC(=O)c1cc(CN(C)[C@@H]2CCC[C@@H]2C(C)(C)C)on1 ZINC000653766495 1127046677 /nfs/dbraw/zinc/04/66/77/1127046677.db2.gz FEBSHCLJDUWZDK-DZGCQCFKSA-N 0 1 278.396 3.524 20 0 CHADMN c1ccc2cc(CN3CCO[C@@]4(CCSC4)C3)ccc2c1 ZINC000645966387 1127052759 /nfs/dbraw/zinc/05/27/59/1127052759.db2.gz LYZHXXPAMFCNRG-SFHVURJKSA-N 0 1 299.439 3.548 20 0 CHADMN COc1ncccc1CN[C@H](C)c1ccc2ncsc2c1 ZINC000488062912 1127053556 /nfs/dbraw/zinc/05/35/56/1127053556.db2.gz ILOCOYCODLEJDN-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN COCCN(Cc1nc(C2CC2)cs1)[C@@H]1CCC[C@@H]1C ZINC000487964610 1127050783 /nfs/dbraw/zinc/05/07/83/1127050783.db2.gz PSPSIFGYASJEGB-SWLSCSKDSA-N 0 1 294.464 3.658 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(CO)c1)c1ccc(F)cc1F ZINC000270431857 1127054706 /nfs/dbraw/zinc/05/47/06/1127054706.db2.gz IHSZQSJNODIACD-NWDGAFQWSA-N 0 1 291.341 3.869 20 0 CHADMN C[C@@H](NCc1ccccc1Cl)c1cccc(CO)c1 ZINC000270538785 1127057346 /nfs/dbraw/zinc/05/73/46/1127057346.db2.gz WYDKQUFCGWKIIM-GFCCVEGCSA-N 0 1 275.779 3.683 20 0 CHADMN c1nc(CN2CC[C@H](Cc3ccccc3)C2)oc1C1CC1 ZINC000270598374 1127058660 /nfs/dbraw/zinc/05/86/60/1127058660.db2.gz LKKLHDUBATYYDN-OAHLLOKOSA-N 0 1 282.387 3.617 20 0 CHADMN C[C@H]1CSCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000488173260 1127061207 /nfs/dbraw/zinc/06/12/07/1127061207.db2.gz CZSGCKPRPDIGAK-SNVBAGLBSA-N 0 1 273.804 3.664 20 0 CHADMN C[C@@H]1CSCCN(Cc2cccc(Cl)c2F)C1 ZINC000488181601 1127061718 /nfs/dbraw/zinc/06/17/18/1127061718.db2.gz UZFDJFPMVYZUSQ-JTQLQIEISA-N 0 1 273.804 3.664 20 0 CHADMN Cc1nc(SCc2cnc(C)cn2)[nH]c1-c1ccccc1 ZINC000488234598 1127063857 /nfs/dbraw/zinc/06/38/57/1127063857.db2.gz NKRYZEINCLOISU-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN COc1ccc(C)cc1CSCc1n[nH]c(C(C)C)n1 ZINC000488247787 1127065204 /nfs/dbraw/zinc/06/52/04/1127065204.db2.gz KTRFWIQGMLOODP-UHFFFAOYSA-N 0 1 291.420 3.679 20 0 CHADMN CCn1nc(C)c(CN(Cc2ccco2)C(C)C)c1C ZINC000271049016 1127066464 /nfs/dbraw/zinc/06/64/64/1127066464.db2.gz NTTZETVVPHGNMQ-UHFFFAOYSA-N 0 1 275.396 3.523 20 0 CHADMN c1cncc(-c2cccc(CN3CCO[C@H]4CCC[C@H]43)c2)c1 ZINC000271133453 1127069949 /nfs/dbraw/zinc/06/99/49/1127069949.db2.gz RFUNHXOFAKUKNT-MOPGFXCFSA-N 0 1 294.398 3.502 20 0 CHADMN C[C@@H]1CCN(Cc2nnc(-c3ccccc3)o2)CC12CCC2 ZINC000271314672 1127075030 /nfs/dbraw/zinc/07/50/30/1127075030.db2.gz IUZFGFJIJVIFOV-CQSZACIVSA-N 0 1 297.402 3.749 20 0 CHADMN CC[C@@H](CN[C@@H](C)c1cscn1)Oc1ccccc1C ZINC000271425965 1127080770 /nfs/dbraw/zinc/08/07/70/1127080770.db2.gz BHHHJRUQOGWPJS-KBPBESRZSA-N 0 1 290.432 3.960 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(Cl)s1 ZINC000271425992 1127080823 /nfs/dbraw/zinc/08/08/23/1127080823.db2.gz AGEFDRVQQGQNKL-PSASIEDQSA-N 0 1 281.812 3.853 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000271486273 1127085391 /nfs/dbraw/zinc/08/53/91/1127085391.db2.gz KGVFGKFSKRTDGW-STQMWFEESA-N 0 1 272.396 3.648 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)CCC2 ZINC000271489521 1127085566 /nfs/dbraw/zinc/08/55/66/1127085566.db2.gz KQGDPWAEDIZULB-BBRMVZONSA-N 0 1 298.434 3.965 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCCc3c[nH]nc32)c(C)s1 ZINC000271486733 1127085895 /nfs/dbraw/zinc/08/58/95/1127085895.db2.gz JTAJDNBTUKUEDO-IINYFYTJSA-N 0 1 275.421 3.816 20 0 CHADMN O=C(C[C@H]1CCC(F)(F)C1)Nc1cccc(Cl)c1O ZINC000797959000 1131018089 /nfs/dbraw/zinc/01/80/89/1131018089.db2.gz BXZWTBZCKKCRFN-MRVPVSSYSA-N 0 1 289.709 3.810 20 0 CHADMN O=C(C[C@@H]1CCC(F)(F)C1)Nc1cccc(Cl)c1O ZINC000797959001 1131018263 /nfs/dbraw/zinc/01/82/63/1131018263.db2.gz BXZWTBZCKKCRFN-QMMMGPOBSA-N 0 1 289.709 3.810 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)CCC2 ZINC000271489537 1127086170 /nfs/dbraw/zinc/08/61/70/1127086170.db2.gz KQGDPWAEDIZULB-XJKSGUPXSA-N 0 1 298.434 3.965 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000271505465 1127087282 /nfs/dbraw/zinc/08/72/82/1127087282.db2.gz MTBRFNZBNSFWMQ-MLGOLLRUSA-N 0 1 285.391 3.537 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2CCCc3c[nH]nc32)cc1C ZINC000271513677 1127087552 /nfs/dbraw/zinc/08/75/52/1127087552.db2.gz OJNXWSRXWAHLEW-BBRMVZONSA-N 0 1 269.392 3.755 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](C)c2ccc(SC)cc2)n[nH]1 ZINC000271451596 1127082759 /nfs/dbraw/zinc/08/27/59/1127082759.db2.gz GEUNZMVDUZLYPP-WDEREUQCSA-N 0 1 290.436 3.501 20 0 CHADMN CCc1cccc2c1OCC[C@H]2N[C@@H](C)c1cncs1 ZINC000271502833 1127088041 /nfs/dbraw/zinc/08/80/41/1127088041.db2.gz QWEQZMJXVZJDCE-SMDDNHRTSA-N 0 1 288.416 3.880 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H]1CCOc2ccc(F)cc21 ZINC000271515022 1127088274 /nfs/dbraw/zinc/08/82/74/1127088274.db2.gz IOIDKUMFRMRBTR-BLLLJJGKSA-N 0 1 286.350 3.704 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@H](CO)c2ccc(F)cc2)c1 ZINC000271520884 1127089034 /nfs/dbraw/zinc/08/90/34/1127089034.db2.gz UVHHZMKECFXNMX-RDTXWAMCSA-N 0 1 287.378 3.827 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2C[C@H]2Cc2ccccc2)cs1 ZINC000271571313 1127092783 /nfs/dbraw/zinc/09/27/83/1127092783.db2.gz ZEGLUPBVPFIJHS-NILFDRSVSA-N 0 1 272.417 3.733 20 0 CHADMN C[C@H](N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cn[nH]c1 ZINC000271573630 1127092979 /nfs/dbraw/zinc/09/29/79/1127092979.db2.gz WBLKDFBMEYIWAN-BBRMVZONSA-N 0 1 297.402 3.897 20 0 CHADMN COc1cc([C@H](C)N[C@H](C)c2cn[nH]c2)ccc1SC ZINC000271597691 1127094275 /nfs/dbraw/zinc/09/42/75/1127094275.db2.gz ZDDSNPYXEZAZFC-WDEREUQCSA-N 0 1 291.420 3.552 20 0 CHADMN CCS[C@@H](C)c1noc(-c2ccc(Cl)cc2O)n1 ZINC000273811288 1127097685 /nfs/dbraw/zinc/09/76/85/1127097685.db2.gz CGRCRZSLGAVRSH-ZETCQYMHSA-N 0 1 284.768 3.910 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2cnccc2C)cc1F ZINC000271622967 1127095257 /nfs/dbraw/zinc/09/52/57/1127095257.db2.gz YSZCSJADQWFNTP-ZDUSSCGKSA-N 0 1 288.366 3.779 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cccc2F)c1cccc2c1OCO2 ZINC000924844580 1127095255 /nfs/dbraw/zinc/09/52/55/1127095255.db2.gz VUFQMNWDLXMMMP-MEDUHNTESA-N 0 1 299.345 3.893 20 0 CHADMN COC1(C)CCN([C@H](C)c2c(F)cccc2F)CC1 ZINC000271683294 1127097094 /nfs/dbraw/zinc/09/70/94/1127097094.db2.gz CYMIURISKCLUND-LLVKDONJSA-N 0 1 269.335 3.527 20 0 CHADMN CC(C)[C@H](C(=O)O[C@H](C)c1cccc(Cl)c1)N(C)C ZINC000798820173 1131052242 /nfs/dbraw/zinc/05/22/42/1131052242.db2.gz VNWBHWCVAPIQRB-BXUZGUMPSA-N 0 1 283.799 3.530 20 0 CHADMN CCSc1cccc(CNCc2scnc2C)c1 ZINC000274436153 1127119416 /nfs/dbraw/zinc/11/94/16/1127119416.db2.gz NMQLXSNBEOGUQX-UHFFFAOYSA-N 0 1 278.446 3.853 20 0 CHADMN Cc1cnc(CN2C[C@H](C)CC[C@@H]2c2ccccc2)n1C ZINC000348634401 1127123084 /nfs/dbraw/zinc/12/30/84/1127123084.db2.gz LTRSKIKGKZJDOK-RHSMWYFYSA-N 0 1 283.419 3.702 20 0 CHADMN CCCCCc1cc(C(=O)N(C(C)C)C2CCC2)n[nH]1 ZINC000669067804 1127123168 /nfs/dbraw/zinc/12/31/68/1127123168.db2.gz SUSWYNXNJJVLMY-UHFFFAOYSA-N 0 1 277.412 3.546 20 0 CHADMN Cc1cnc(CN2C[C@H](C)CC[C@H]2c2ccccc2)n1C ZINC000348634400 1127123345 /nfs/dbraw/zinc/12/33/45/1127123345.db2.gz LTRSKIKGKZJDOK-PBHICJAKSA-N 0 1 283.419 3.702 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@@H](c3ccc(F)cc3)C2)s1 ZINC000283256861 1127127346 /nfs/dbraw/zinc/12/73/46/1127127346.db2.gz VTEQSDMSIYUEEF-ZWNOBZJWSA-N 0 1 291.395 3.536 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1CCCC(F)(F)C1 ZINC000283281301 1127128251 /nfs/dbraw/zinc/12/82/51/1127128251.db2.gz MCKYPATXPPXEEL-JTQLQIEISA-N 0 1 293.317 3.635 20 0 CHADMN CCCCC[C@H](NC(=O)Cc1cc(C)n[nH]1)c1ccccc1 ZINC000151328213 1127132038 /nfs/dbraw/zinc/13/20/38/1127132038.db2.gz JBYRWCSJEMRVON-KRWDZBQOSA-N 0 1 299.418 3.698 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2cccnc2)ccc1F ZINC000348935949 1127135950 /nfs/dbraw/zinc/13/59/50/1127135950.db2.gz RFIXEPMBCCTINU-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN COc1ccc(CN2CC[C@@H]2c2ccccc2)c(C)c1OC ZINC000570886931 1127137223 /nfs/dbraw/zinc/13/72/23/1127137223.db2.gz PTIBKRRUZQUKJZ-QGZVFWFLSA-N 0 1 297.398 3.959 20 0 CHADMN CC(C)OCC[C@H](O)C[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000349218806 1127143334 /nfs/dbraw/zinc/14/33/34/1127143334.db2.gz PVUBNCOQRSNNSU-KBPBESRZSA-N 0 1 299.842 3.509 20 0 CHADMN COC(=O)c1cccc(Cl)c1CN1CCC[C@@H]1C1CC1 ZINC000586762787 1127139584 /nfs/dbraw/zinc/13/95/84/1127139584.db2.gz OMQZDRXZSYZUGZ-OAHLLOKOSA-N 0 1 293.794 3.501 20 0 CHADMN CCOC(=O)[C@H]1CC[C@H](NCc2ccco2)c2ccccc21 ZINC000283496069 1127140167 /nfs/dbraw/zinc/14/01/67/1127140167.db2.gz YKBYTIWKSQVSAH-IRXDYDNUSA-N 0 1 299.370 3.551 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@@H]2C2CCCC2)[nH]1 ZINC000283503582 1127141022 /nfs/dbraw/zinc/14/10/22/1127141022.db2.gz PBUBLGSXMNDLLD-MRXNPFEDSA-N 0 1 297.402 3.666 20 0 CHADMN C[C@]1(c2ccccc2)CN(C[C@@H]2CCC(F)(F)C2)CCO1 ZINC000571016637 1127152036 /nfs/dbraw/zinc/15/20/36/1127152036.db2.gz FHOWUVJZZPKFIM-GDBMZVCRSA-N 0 1 295.373 3.669 20 0 CHADMN Cc1nc(CN(C)C[C@@H](C)c2ccccc2)c(C)o1 ZINC000659873391 1127152094 /nfs/dbraw/zinc/15/20/94/1127152094.db2.gz HUWSXGLOPPJWNC-GFCCVEGCSA-N 0 1 258.365 3.527 20 0 CHADMN C[C@@]1(c2ccccc2)CN(C[C@H]2CCC(F)(F)C2)CCO1 ZINC000571016639 1127152427 /nfs/dbraw/zinc/15/24/27/1127152427.db2.gz FHOWUVJZZPKFIM-HOCLYGCPSA-N 0 1 295.373 3.669 20 0 CHADMN CCN(Cc1cnn(C(C)C)c1)Cc1cccc(F)c1 ZINC000349563374 1127154048 /nfs/dbraw/zinc/15/40/48/1127154048.db2.gz NMEAVZGZIHMTME-UHFFFAOYSA-N 0 1 275.371 3.625 20 0 CHADMN COc1cccc(CN(C)Cc2cccc(C)c2)c1OC ZINC000349697124 1127157365 /nfs/dbraw/zinc/15/73/65/1127157365.db2.gz CGMDWKWRPPYFIG-UHFFFAOYSA-N 0 1 285.387 3.644 20 0 CHADMN CC(C)[N@@H+](Cc1ccco1)Cc1cccc(-n2cccn2)c1 ZINC000349834901 1127163512 /nfs/dbraw/zinc/16/35/12/1127163512.db2.gz ZZAWJOCMTDEVBL-UHFFFAOYSA-N 0 1 295.386 3.876 20 0 CHADMN C[C@@H]1[C@H](NCc2noc3c2CCCC3)C[C@@H]1c1ccccc1 ZINC000571722758 1127165579 /nfs/dbraw/zinc/16/55/79/1127165579.db2.gz PWQYYUURYVGQCM-RRQGHBQHSA-N 0 1 296.414 3.835 20 0 CHADMN C[C@@H](c1noc(-c2ccccc2)n1)N1CC[C@@H](C)[C@H]1C ZINC000283963215 1127166847 /nfs/dbraw/zinc/16/68/47/1127166847.db2.gz DYDHUBONCSADRG-UPJWGTAASA-N 0 1 271.364 3.528 20 0 CHADMN FCCCCCN[C@@H](c1nccs1)c1ccccc1 ZINC000284063810 1127172055 /nfs/dbraw/zinc/17/20/55/1127172055.db2.gz JUXXOQFBBWUMHV-CQSZACIVSA-N 0 1 278.396 3.962 20 0 CHADMN CC(C)N(CCO)Cc1cc(C(F)(F)F)ccc1Cl ZINC000350079063 1127172074 /nfs/dbraw/zinc/17/20/74/1127172074.db2.gz URWNQGLSEYCDSF-UHFFFAOYSA-N 0 1 295.732 3.562 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(C(F)(F)F)c2)n(C)n1 ZINC000284113976 1127173626 /nfs/dbraw/zinc/17/36/26/1127173626.db2.gz CFNWDKZFLGHSSG-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN C[C@H]1CCCC[N@@H+](Cc2cc(Cl)nc(Cl)c2[O-])C1 ZINC001237524683 1131110257 /nfs/dbraw/zinc/11/02/57/1131110257.db2.gz FXHBZVCITIMASS-VIFPVBQESA-N 0 1 289.206 3.716 20 0 CHADMN FC[C@H]1CCCN1CCc1cccc(OC(F)(F)F)c1 ZINC000571780760 1127177160 /nfs/dbraw/zinc/17/71/60/1127177160.db2.gz CXQWMGVRQUQAEC-GFCCVEGCSA-N 0 1 291.288 3.562 20 0 CHADMN Cc1cc(CN(C)Cc2ccccn2)ccc1Cl ZINC000350353936 1127177366 /nfs/dbraw/zinc/17/73/66/1127177366.db2.gz KTJOCUDWPINMDH-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1cc(CN[C@@H](C)c2oc3ccccc3c2C)n(C)n1 ZINC000284225236 1127178356 /nfs/dbraw/zinc/17/83/56/1127178356.db2.gz HKCYSRDVBBJDJC-ZDUSSCGKSA-N 0 1 283.375 3.634 20 0 CHADMN CN(CCSC(C)(C)C)Cc1ccc(Cl)nc1 ZINC000284265270 1127179280 /nfs/dbraw/zinc/17/92/80/1127179280.db2.gz DNJFCPBHWOKSRI-UHFFFAOYSA-N 0 1 272.845 3.699 20 0 CHADMN C[C@@H](NCc1ccc(OC2CCCC2)cc1)c1cn[nH]c1 ZINC000284360366 1127180872 /nfs/dbraw/zinc/18/08/72/1127180872.db2.gz ZHBHEUQPTJEUGN-CYBMUJFWSA-N 0 1 285.391 3.582 20 0 CHADMN FC(F)(F)CO[C@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000588177926 1127181489 /nfs/dbraw/zinc/18/14/89/1127181489.db2.gz VLKDKWAWASOFHH-LWUPOJRFSA-N 0 1 299.336 3.743 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CC[C@H](C)C3(CCC3)C2)[nH]1 ZINC000284394631 1127182304 /nfs/dbraw/zinc/18/23/04/1127182304.db2.gz MYFOOSNLJXYBHO-LBPRGKRZSA-N 0 1 297.402 3.524 20 0 CHADMN Cc1cc(C)c(CN2CCC[C@H]2c2ncc[nH]2)c(C)c1 ZINC000351066242 1127184424 /nfs/dbraw/zinc/18/44/24/1127184424.db2.gz SKTVKJKULDLZOA-INIZCTEOSA-N 0 1 269.392 3.672 20 0 CHADMN Cc1cc(Cl)cc(CN2CCC[C@H](n3cccn3)C2)c1 ZINC000351262095 1127187431 /nfs/dbraw/zinc/18/74/31/1127187431.db2.gz OJMUHNMOVNQYOE-INIZCTEOSA-N 0 1 289.810 3.682 20 0 CHADMN CCc1c2ccccc2oc1[C@@H](C)NCc1cc(C)nn1C ZINC000284570003 1127189670 /nfs/dbraw/zinc/18/96/70/1127189670.db2.gz YTSGBTVOCWNQAT-CYBMUJFWSA-N 0 1 297.402 3.888 20 0 CHADMN CCCCc1nc(CN([C@H](C)CO)C2CCCC2)cs1 ZINC000351497008 1127190008 /nfs/dbraw/zinc/19/00/08/1127190008.db2.gz VIQLYFHIILEJFP-CYBMUJFWSA-N 0 1 296.480 3.611 20 0 CHADMN Clc1ccc(CNc2nccn2Cc2ccccc2)o1 ZINC000351549853 1127193258 /nfs/dbraw/zinc/19/32/58/1127193258.db2.gz FIRCWVNRAPXHPP-UHFFFAOYSA-N 0 1 287.750 3.790 20 0 CHADMN Cc1cccc(CNc2nccn2CC(C)C)c1C ZINC000351551586 1127193339 /nfs/dbraw/zinc/19/33/39/1127193339.db2.gz YAVCPVMALGWAFA-UHFFFAOYSA-N 0 1 257.381 3.768 20 0 CHADMN COc1ccc(CNc2nccn2Cc2ccccc2)cc1 ZINC000351550215 1127193440 /nfs/dbraw/zinc/19/34/40/1127193440.db2.gz ITTFQNCJHUBDJG-UHFFFAOYSA-N 0 1 293.370 3.552 20 0 CHADMN COc1ccccc1CNc1nccn1Cc1ccccc1 ZINC000351551356 1127193491 /nfs/dbraw/zinc/19/34/91/1127193491.db2.gz VTQVNPJLUXCDEP-UHFFFAOYSA-N 0 1 293.370 3.552 20 0 CHADMN CC(C)Cn1ccnc1NCc1cccc(OC(F)F)c1 ZINC000351566457 1127194330 /nfs/dbraw/zinc/19/43/30/1127194330.db2.gz CXIIRPMJMBQGDV-UHFFFAOYSA-N 0 1 295.333 3.753 20 0 CHADMN Cc1ccc(F)c(CNc2nccn2CC(C)C)c1 ZINC000351568783 1127194442 /nfs/dbraw/zinc/19/44/42/1127194442.db2.gz OZDKZBILKWGZIP-UHFFFAOYSA-N 0 1 261.344 3.599 20 0 CHADMN Cc1sccc1CN1CCc2ccc(F)cc2C1 ZINC000351590183 1127196327 /nfs/dbraw/zinc/19/63/27/1127196327.db2.gz RLFHOZRADAXAFD-UHFFFAOYSA-N 0 1 261.365 3.754 20 0 CHADMN Cc1ccccc1C1CC(N[C@@H](C)c2ccon2)C1 ZINC000351590990 1127196501 /nfs/dbraw/zinc/19/65/01/1127196501.db2.gz AGCDNWYGOWHCKH-HSBZDZAISA-N 0 1 256.349 3.580 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1c(C)nc2sc(C)nn12 ZINC000351599386 1127197035 /nfs/dbraw/zinc/19/70/35/1127197035.db2.gz XRYTXFFXVRJRMR-CYBMUJFWSA-N 0 1 292.452 3.562 20 0 CHADMN CSCc1cnc(CN(CC2CC2)CC2CC2)s1 ZINC000351618935 1127198154 /nfs/dbraw/zinc/19/81/54/1127198154.db2.gz DAOMNUTUNRKMAX-UHFFFAOYSA-N 0 1 282.478 3.628 20 0 CHADMN C[C@H](O)[C@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 ZINC000543748538 1127203725 /nfs/dbraw/zinc/20/37/25/1127203725.db2.gz XCUGCJKIQJAOTD-QWRGUYRKSA-N 0 1 288.218 3.586 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1CCC(C)(C)CC1 ZINC000588905076 1127204373 /nfs/dbraw/zinc/20/43/73/1127204373.db2.gz XHOATZBMPFFZRZ-NSHDSACASA-N 0 1 291.420 3.981 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1CCC(C)(C)CC1 ZINC000588904145 1127204658 /nfs/dbraw/zinc/20/46/58/1127204658.db2.gz RUOJNHIQSLCETM-UHFFFAOYSA-N 0 1 294.826 3.709 20 0 CHADMN Cc1ncc(CN[C@H](c2ccccc2F)C2CCCC2)cn1 ZINC000351760649 1127208186 /nfs/dbraw/zinc/20/81/86/1127208186.db2.gz VNDLAVUOKUTCOU-SFHVURJKSA-N 0 1 299.393 3.945 20 0 CHADMN CCO[C@H]1C[C@H](N(C)Cc2conc2CC)C1(CC)CC ZINC000351760527 1127208700 /nfs/dbraw/zinc/20/87/00/1127208700.db2.gz UXQBCLSXPDYQLJ-HOTGVXAUSA-N 0 1 294.439 3.653 20 0 CHADMN Cc1ccc(CN[C@@H](CCO)c2ccccc2F)cc1C ZINC000646070054 1127208701 /nfs/dbraw/zinc/20/87/01/1127208701.db2.gz HHFSSHUBKSIHRV-SFHVURJKSA-N 0 1 287.378 3.656 20 0 CHADMN C[C@@H](F)CCN1CCc2c(Br)cccc2C1 ZINC000351852576 1127211718 /nfs/dbraw/zinc/21/17/18/1127211718.db2.gz CBOPKXCBPLDITB-SNVBAGLBSA-N 0 1 286.188 3.555 20 0 CHADMN C[C@H]1CCN(Cc2cnc(C3CC3)s2)CCC1(F)F ZINC001237785771 1131139780 /nfs/dbraw/zinc/13/97/80/1131139780.db2.gz DFFBMNUSLHLPLZ-JTQLQIEISA-N 0 1 286.391 3.888 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCO[C@H](c3ccccc3)C2)no1 ZINC000284980531 1127213622 /nfs/dbraw/zinc/21/36/22/1127213622.db2.gz GCYPEKHEWXGGHT-LXZKKBNFSA-N 0 1 286.375 3.554 20 0 CHADMN CSC1(CN2CC[C@@](F)(c3ccccc3F)C2)CC1 ZINC000589178219 1127214007 /nfs/dbraw/zinc/21/40/07/1127214007.db2.gz MUZVFFQXWLLYTE-HNNXBMFYSA-N 0 1 283.387 3.592 20 0 CHADMN COC(=O)c1oc([C@@H](C)N2CC(C)(C)C2(C)C)cc1C ZINC001116466175 1131149312 /nfs/dbraw/zinc/14/93/12/1131149312.db2.gz VFYQPJYHAVXNHF-LLVKDONJSA-N 0 1 279.380 3.556 20 0 CHADMN Cc1ccc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(C(=O)[O-])cn2)c1 ZINC000572728999 1127224902 /nfs/dbraw/zinc/22/49/02/1127224902.db2.gz JZADKGDKCDGTQC-CQSZACIVSA-N 0 1 298.386 3.590 20 0 CHADMN Cc1cnn([C@@H]2CCN(Cc3ccc(C)cc3Cl)C2)c1 ZINC000352391250 1127228176 /nfs/dbraw/zinc/22/81/76/1127228176.db2.gz JOEQUVJTIUDXLT-OAHLLOKOSA-N 0 1 289.810 3.600 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1nccn1-c1ccccc1 ZINC000352409343 1127230412 /nfs/dbraw/zinc/23/04/12/1127230412.db2.gz KCEVZLNUPYTRGW-OAHLLOKOSA-N 0 1 271.408 3.883 20 0 CHADMN COc1ccccc1CNCc1ccc2cccnc2c1 ZINC000589633831 1127230816 /nfs/dbraw/zinc/23/08/16/1127230816.db2.gz SUIFHHVGLSIMRS-UHFFFAOYSA-N 0 1 278.355 3.533 20 0 CHADMN CCc1ccccc1CNC(C)(C)c1c(C)noc1C ZINC000285490024 1127231955 /nfs/dbraw/zinc/23/19/55/1127231955.db2.gz CBNDVJNIWRFANJ-UHFFFAOYSA-N 0 1 272.392 3.879 20 0 CHADMN CCCc1ccc([C@H](C)NCc2cc(C)n[nH]2)cc1 ZINC000589647168 1127233099 /nfs/dbraw/zinc/23/30/99/1127233099.db2.gz KDOPCAICCMXGNH-ZDUSSCGKSA-N 0 1 257.381 3.521 20 0 CHADMN CCc1c2ccccc2oc1[C@@H](C)NCc1cc(C)[nH]n1 ZINC000589649369 1127233310 /nfs/dbraw/zinc/23/33/10/1127233310.db2.gz JPGUNVQCPCMBRG-GFCCVEGCSA-N 0 1 283.375 3.878 20 0 CHADMN CCc1c2ccccc2oc1[C@@H](C)NCc1cc(C)n[nH]1 ZINC000589649369 1127233313 /nfs/dbraw/zinc/23/33/13/1127233313.db2.gz JPGUNVQCPCMBRG-GFCCVEGCSA-N 0 1 283.375 3.878 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNc2cnn(-c3ccncc3)c2)o1 ZINC000589650385 1127233391 /nfs/dbraw/zinc/23/33/91/1127233391.db2.gz NZCHWKNPNXOCLL-MLGOLLRUSA-N 0 1 294.358 3.596 20 0 CHADMN Cc1ccnc([C@@H](C)NCc2cccc(Cl)c2)c1 ZINC000285606666 1127238672 /nfs/dbraw/zinc/23/86/72/1127238672.db2.gz KAKXKXNELFIXLJ-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1cccc2cccnc21 ZINC000285621073 1127239174 /nfs/dbraw/zinc/23/91/74/1127239174.db2.gz YAZCULRORGWZHL-UHFFFAOYSA-N 0 1 295.386 3.865 20 0 CHADMN Cc1ccnc([C@H](C)N[C@@H]2CCc3ccccc32)c1 ZINC000285649187 1127240068 /nfs/dbraw/zinc/24/00/68/1127240068.db2.gz MECKMFXWCFGMFZ-XJKSGUPXSA-N 0 1 252.361 3.728 20 0 CHADMN Cc1cc(-c2noc([C@H](C)NCCCCF)n2)ccc1F ZINC000285728718 1127241673 /nfs/dbraw/zinc/24/16/73/1127241673.db2.gz UEZXXQTVARTNDJ-NSHDSACASA-N 0 1 295.333 3.584 20 0 CHADMN C[C@H](CCc1ccco1)N[C@H](C)c1c(F)cncc1F ZINC000285712134 1127241804 /nfs/dbraw/zinc/24/18/04/1127241804.db2.gz POYOPCFAPMUAJV-GHMZBOCLSA-N 0 1 280.318 3.625 20 0 CHADMN Cc1ccnc([C@H](C)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000285820314 1127244235 /nfs/dbraw/zinc/24/42/35/1127244235.db2.gz WHSKFKNXPXMLHZ-KBPBESRZSA-N 0 1 298.386 3.573 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2cc(C)ccn2)cc1F ZINC000285895674 1127246527 /nfs/dbraw/zinc/24/65/27/1127246527.db2.gz CLRKEKHNPPHWCU-ZDUSSCGKSA-N 0 1 288.366 3.779 20 0 CHADMN Cc1cc(Cl)cc(CN(C)Cc2ccncc2)c1 ZINC000352876265 1127247601 /nfs/dbraw/zinc/24/76/01/1127247601.db2.gz MSCVKKBUNJGLEZ-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN c1c[nH]c([C@@H]2CCCCN2C[C@H]2C[C@H]2c2ccccc2)n1 ZINC000352913971 1127250567 /nfs/dbraw/zinc/25/05/67/1127250567.db2.gz JINDJHZMLTYFMY-IKGGRYGDSA-N 0 1 281.403 3.740 20 0 CHADMN Cc1nocc1CN(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000352948461 1127252845 /nfs/dbraw/zinc/25/28/45/1127252845.db2.gz UEJVQMJCIXBLSA-KRWDZBQOSA-N 0 1 299.418 3.914 20 0 CHADMN COc1ccc2nc(S[C@H]3C=CCCC3)[nH]c2c1 ZINC000590385702 1127256290 /nfs/dbraw/zinc/25/62/90/1127256290.db2.gz RKAJQGTVAUXWBV-NSHDSACASA-N 0 1 260.362 3.772 20 0 CHADMN COC(=O)CCC[C@H]1CCC[C@H](NC(C)(C)C(F)F)C1 ZINC000590366773 1127257048 /nfs/dbraw/zinc/25/70/48/1127257048.db2.gz OTMCQUCKCMYFQV-NEPJUHHUSA-N 0 1 291.382 3.522 20 0 CHADMN CCOC[C@@H](NCc1coc(-c2cccs2)n1)C(C)C ZINC000286157395 1127261341 /nfs/dbraw/zinc/26/13/41/1127261341.db2.gz NWSCNFNZQHRKDN-CYBMUJFWSA-N 0 1 294.420 3.554 20 0 CHADMN O=C(CC1CCCC1)Nc1cc(Cl)c(O)cc1F ZINC000286663548 1127271260 /nfs/dbraw/zinc/27/12/60/1127271260.db2.gz GQMNCQZTEVJTTL-UHFFFAOYSA-N 0 1 271.719 3.704 20 0 CHADMN Cc1ccc([C@@H]2CCCCCN2Cc2cnc(C)cn2)o1 ZINC000353807867 1127275121 /nfs/dbraw/zinc/27/51/21/1127275121.db2.gz RZMNVMSYHNBEMU-INIZCTEOSA-N 0 1 285.391 3.804 20 0 CHADMN Cc1cccc2ncc(CN3Cc4ccccc4C[C@@H]3C)n21 ZINC000353663604 1127273015 /nfs/dbraw/zinc/27/30/15/1127273015.db2.gz DGQXRZKWBOWURQ-HNNXBMFYSA-N 0 1 291.398 3.590 20 0 CHADMN CC[C@H](N[C@@H]1CCc2sc(Cl)cc21)c1cnn(C)c1 ZINC000353563482 1127270157 /nfs/dbraw/zinc/27/01/57/1127270157.db2.gz FCNQGQWASJIBAX-NWDGAFQWSA-N 0 1 295.839 3.863 20 0 CHADMN COc1cc([C@H](C)N[C@@H](C)c2cccs2)c(F)cn1 ZINC000286903937 1127275974 /nfs/dbraw/zinc/27/59/74/1127275974.db2.gz JSOUKJWRIGJORF-UWVGGRQHSA-N 0 1 280.368 3.703 20 0 CHADMN c1ccc2[nH]c(CN3CCC[C@@]4(CC=CCC4)C3)nc2c1 ZINC000353898702 1127276325 /nfs/dbraw/zinc/27/63/25/1127276325.db2.gz KKQPJOSHLFDPKU-SFHVURJKSA-N 0 1 281.403 3.885 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@H](c1nccn1C)C1CC1 ZINC000353893247 1127276724 /nfs/dbraw/zinc/27/67/24/1127276724.db2.gz ZUJYEVHRJDOYQT-BBRMVZONSA-N 0 1 269.392 3.530 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)o1 ZINC000590886032 1127277584 /nfs/dbraw/zinc/27/75/84/1127277584.db2.gz OCTFGAGTGWJFBO-OKILXGFUSA-N 0 1 292.423 3.525 20 0 CHADMN CC[C@H](N[C@H](c1nccn1C)C1CC1)c1ccc(OC)cc1 ZINC000353918133 1127278693 /nfs/dbraw/zinc/27/86/93/1127278693.db2.gz IQOAIXBBRRFSNJ-IRXDYDNUSA-N 0 1 299.418 3.621 20 0 CHADMN C[C@@H](N[C@@H]1CC(C)(C)CCc2ccccc21)c1nncn1C ZINC000286980733 1127279608 /nfs/dbraw/zinc/27/96/08/1127279608.db2.gz PWBLSMDQNQNAKQ-CZUORRHYSA-N 0 1 298.434 3.570 20 0 CHADMN Cc1nsc(C)c1CNC(C)(C)c1ccccc1 ZINC000573015944 1127280394 /nfs/dbraw/zinc/28/03/94/1127280394.db2.gz CJKPECPWHAUEAC-UHFFFAOYSA-N 0 1 260.406 3.785 20 0 CHADMN CC(C)Cc1ncc(CN2CCS[C@@H](C(C)C)C2)s1 ZINC000353948207 1127280959 /nfs/dbraw/zinc/28/09/59/1127280959.db2.gz SEEQBRJQEILBNC-CQSZACIVSA-N 0 1 298.521 3.915 20 0 CHADMN CCOC(=O)c1coc(CN[C@H](C)c2ccccc2C)c1 ZINC000353942479 1127281046 /nfs/dbraw/zinc/28/10/46/1127281046.db2.gz GBJKGNKKWZOESD-CYBMUJFWSA-N 0 1 287.359 3.616 20 0 CHADMN CCSc1ccccc1[C@H](C)NCc1cnn(CC)c1 ZINC000353950531 1127281921 /nfs/dbraw/zinc/28/19/21/1127281921.db2.gz CMJXZSNEQBSDSU-ZDUSSCGKSA-N 0 1 289.448 3.866 20 0 CHADMN COC(CN(C)Cc1ccc(Cl)c(C(C)C)c1)OC ZINC001238227149 1131184422 /nfs/dbraw/zinc/18/44/22/1131184422.db2.gz FKURVVFWUNCPJM-UHFFFAOYSA-N 0 1 285.815 3.514 20 0 CHADMN CC(C)c1cc(CN2CC[C@@H](C)[C@@H](O)C2)ccc1Cl ZINC001238221279 1131183964 /nfs/dbraw/zinc/18/39/64/1131183964.db2.gz ZJHKNTGCRDOMEV-WBMJQRKESA-N 0 1 281.827 3.666 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C)C[C@H]2c2ccco2)nc1 ZINC000354012334 1127285187 /nfs/dbraw/zinc/28/51/87/1127285187.db2.gz YUJAIMLRASNLRK-CJNGLKHVSA-N 0 1 270.376 3.956 20 0 CHADMN CCc1nc(CN2CC[C@H](C)C(C)(C)C2)cs1 ZINC000354024801 1127285872 /nfs/dbraw/zinc/28/58/72/1127285872.db2.gz UNZDDANQWZDKRH-NSHDSACASA-N 0 1 252.427 3.574 20 0 CHADMN CN(Cc1ccc[nH]1)Cc1cc2cc(F)ccc2o1 ZINC000354026528 1127286117 /nfs/dbraw/zinc/28/61/17/1127286117.db2.gz VFHCMAQNSXIZLZ-UHFFFAOYSA-N 0 1 258.296 3.532 20 0 CHADMN CN(Cc1ccc[nH]1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000354026759 1127286438 /nfs/dbraw/zinc/28/64/38/1127286438.db2.gz YSNHTNMOJMOZLK-UHFFFAOYSA-N 0 1 298.308 3.588 20 0 CHADMN CC[C@H](CC(=O)NC[C@H](c1ccsc1)N(C)C)C(C)C ZINC000591126019 1127287873 /nfs/dbraw/zinc/28/78/73/1127287873.db2.gz RFQCUZCMQMGIGD-UKRRQHHQSA-N 0 1 296.480 3.539 20 0 CHADMN CCCCCC[C@@H](C)NCc1nccc(C(F)F)n1 ZINC000287104177 1127289134 /nfs/dbraw/zinc/28/91/34/1127289134.db2.gz QEYPZFVMIITQTI-LLVKDONJSA-N 0 1 271.355 3.863 20 0 CHADMN CCC[C@H](C)CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000287121509 1127289611 /nfs/dbraw/zinc/28/96/11/1127289611.db2.gz YVJZFMKYRVXBRJ-QMMMGPOBSA-N 0 1 273.735 3.950 20 0 CHADMN Cc1nccc(N2CCC(OC(C)(C)C)CC2)c1Cl ZINC000354155955 1127296453 /nfs/dbraw/zinc/29/64/53/1127296453.db2.gz SRSAAAVKRJRPTK-UHFFFAOYSA-N 0 1 282.815 3.827 20 0 CHADMN Cn1ccc(CN2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC000354312848 1127302430 /nfs/dbraw/zinc/30/24/30/1127302430.db2.gz UWZJGYBBZRKPHL-UHFFFAOYSA-N 0 1 292.382 3.843 20 0 CHADMN Cc1noc([C@H]2CCCN2CCC2CCCCCC2)n1 ZINC000573288071 1127304031 /nfs/dbraw/zinc/30/40/31/1127304031.db2.gz JMIRWRKIOWJVJK-OAHLLOKOSA-N 0 1 277.412 3.875 20 0 CHADMN CCOC(=O)c1coc(CNC(C)(C)c2cccs2)c1 ZINC000354349283 1127304060 /nfs/dbraw/zinc/30/40/60/1127304060.db2.gz SDAPVSYDUJWKPP-UHFFFAOYSA-N 0 1 293.388 3.543 20 0 CHADMN Cc1nsc(C)c1CN1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000573263152 1127305230 /nfs/dbraw/zinc/30/52/30/1127305230.db2.gz GSUUBEWISLYYGP-BDJLRTHQSA-N 0 1 287.432 3.738 20 0 CHADMN CCO[C@@H](c1noc(-c2ccc(O)c(Cl)c2)n1)C(C)C ZINC000157406028 1127308257 /nfs/dbraw/zinc/30/82/57/1127308257.db2.gz LWHWPJTZXKORRV-GFCCVEGCSA-N 0 1 296.754 3.829 20 0 CHADMN CCSc1cc(CN[C@H](C)c2cc(C)ccn2)ccn1 ZINC000287555799 1127309499 /nfs/dbraw/zinc/30/94/99/1127309499.db2.gz PZEMZHJXAYNOLS-CYBMUJFWSA-N 0 1 287.432 3.748 20 0 CHADMN CC[C@H](C)[C@H](C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000780961150 1127310363 /nfs/dbraw/zinc/31/03/63/1127310363.db2.gz WELHYQSTRSHCRJ-RYUDHWBXSA-N 0 1 280.387 3.508 20 0 CHADMN CCc1ccccc1CN[C@@H](C)c1cc(OC)ncc1F ZINC000287780274 1127313624 /nfs/dbraw/zinc/31/36/24/1127313624.db2.gz SCFXYBMYVFPGSO-LBPRGKRZSA-N 0 1 288.366 3.643 20 0 CHADMN CO[C@H](C)c1nc(CN(C)C[C@@H]2CC=CCC2)cs1 ZINC000355124232 1127318908 /nfs/dbraw/zinc/31/89/08/1127318908.db2.gz BTWRDGVUCXWCGA-CHWSQXEVSA-N 0 1 280.437 3.639 20 0 CHADMN COc1c(CN2[C@H](C)CCC[C@@H]2C)ccc(F)c1F ZINC001238472862 1131206164 /nfs/dbraw/zinc/20/61/64/1131206164.db2.gz CFVMSFICPPKFAE-PHIMTYICSA-N 0 1 269.335 3.736 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nc(C(C)C)no1)C(C)(C)C ZINC000591819128 1127320331 /nfs/dbraw/zinc/32/03/31/1127320331.db2.gz FETICXTZQFLOSC-WDEREUQCSA-N 0 1 253.390 3.668 20 0 CHADMN CC[C@H](C)[C@H](C)N(C(=O)c1cc(C)cc2c[nH]nc21)C1CC1 ZINC000355184885 1127322924 /nfs/dbraw/zinc/32/29/24/1127322924.db2.gz RBECWSDASOYOCQ-STQMWFEESA-N 0 1 299.418 3.911 20 0 CHADMN CCn1ccnc1CN1CCC[C@@H]1CCC1CCCC1 ZINC000355229017 1127327004 /nfs/dbraw/zinc/32/70/04/1127327004.db2.gz XVWMTTSUNZYMGH-MRXNPFEDSA-N 0 1 275.440 3.838 20 0 CHADMN C[C@@H]1CCCC[C@@]1(C)NCc1noc(-c2ccsc2)n1 ZINC000573806679 1127329179 /nfs/dbraw/zinc/32/91/79/1127329179.db2.gz FJLXTDROXFTOEK-IAQYHMDHSA-N 0 1 291.420 3.857 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(C(C)C)cn1 ZINC000355292864 1127331804 /nfs/dbraw/zinc/33/18/04/1127331804.db2.gz LYBNYSPDCMUJOO-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN C[C@@H]1CN(Cc2cc(Cl)cs2)C[C@H](C)S1 ZINC000573871694 1127332036 /nfs/dbraw/zinc/33/20/36/1127332036.db2.gz OFUMAJVRHDTKFR-DTORHVGOSA-N 0 1 261.843 3.727 20 0 CHADMN C[C@@H](CCN1CCC[C@H]1c1ncc[nH]1)OCc1ccccc1 ZINC000355302811 1127332655 /nfs/dbraw/zinc/33/26/55/1127332655.db2.gz CMTJYTQCHZQLFK-RDJZCZTQSA-N 0 1 299.418 3.542 20 0 CHADMN CO[C@@H](C)c1nc(CN2CCC[C@@H]2C(C)(C)C)cs1 ZINC000355331670 1127334010 /nfs/dbraw/zinc/33/40/10/1127334010.db2.gz MAZNYYGCEWKQPV-WCQYABFASA-N 0 1 282.453 3.861 20 0 CHADMN C[C@]1(F)CCN(Cc2cccc(-c3cccnc3)c2)C1 ZINC000355358690 1127335331 /nfs/dbraw/zinc/33/53/31/1127335331.db2.gz YYKJCTZBXKDVBF-KRWDZBQOSA-N 0 1 270.351 3.683 20 0 CHADMN C[C@@]1(F)CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000355357458 1127335444 /nfs/dbraw/zinc/33/54/44/1127335444.db2.gz VAVACWXRHKBKKI-OAHLLOKOSA-N 0 1 293.773 3.664 20 0 CHADMN COC(=O)c1coc(CNC2(c3cccc(C)c3)CCC2)c1 ZINC000592146412 1127337270 /nfs/dbraw/zinc/33/72/70/1127337270.db2.gz ORXUEOKPQMJIKG-UHFFFAOYSA-N 0 1 299.370 3.544 20 0 CHADMN COC(=O)c1ccc(CNC2(c3ccc(C)cc3)CCC2)o1 ZINC000592190095 1127338143 /nfs/dbraw/zinc/33/81/43/1127338143.db2.gz ZEZZUDMUPBSQEC-UHFFFAOYSA-N 0 1 299.370 3.544 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C[C@@H]2CCCC[C@@H]2C)c1 ZINC000543761248 1127338810 /nfs/dbraw/zinc/33/88/10/1127338810.db2.gz GJUHVEAWZIYLGK-AAEUAGOBSA-N 0 1 289.375 3.750 20 0 CHADMN C[C@@H]1CCN(Cc2cnc([C@H]3CCCO3)s2)CC1(C)C ZINC000355526208 1127347566 /nfs/dbraw/zinc/34/75/66/1127347566.db2.gz GKWJCYCCWMPTAM-TZMCWYRMSA-N 0 1 294.464 3.863 20 0 CHADMN COC[C@@H](NCc1cnccc1C)c1cccc(Cl)c1 ZINC000288570736 1127347775 /nfs/dbraw/zinc/34/77/75/1127347775.db2.gz NBNAQXWUIDVUMZ-MRXNPFEDSA-N 0 1 290.794 3.521 20 0 CHADMN C[C@H]1Oc2ccccc2[C@H]1NCc1ccc(F)c(F)c1 ZINC000288502510 1127344214 /nfs/dbraw/zinc/34/42/14/1127344214.db2.gz IDYKVFGNAQEQAD-HWPZZCPQSA-N 0 1 275.298 3.577 20 0 CHADMN Cc1ccc(CCC(=O)Nc2ccc3c(C)[nH]nc3c2)s1 ZINC000355530015 1127348293 /nfs/dbraw/zinc/34/82/93/1127348293.db2.gz LEGNZVVVOREDQG-UHFFFAOYSA-N 0 1 299.399 3.813 20 0 CHADMN Cc1ccncc1CN(C)Cc1ccc(OCC2CC2)cc1 ZINC000355578628 1127350273 /nfs/dbraw/zinc/35/02/73/1127350273.db2.gz FTFYSBOARMCDMF-UHFFFAOYSA-N 0 1 296.414 3.811 20 0 CHADMN Cc1nc2ccc(CN(C)Cc3cnccc3C)cc2s1 ZINC000355581148 1127350283 /nfs/dbraw/zinc/35/02/83/1127350283.db2.gz JRFYPCPKZBHLHO-UHFFFAOYSA-N 0 1 297.427 3.940 20 0 CHADMN Cc1ccoc1CNc1ccc(CN(C)C)c(Cl)c1 ZINC000355585412 1127351249 /nfs/dbraw/zinc/35/12/49/1127351249.db2.gz PQJBZKDMYJHERT-UHFFFAOYSA-N 0 1 278.783 3.915 20 0 CHADMN CC[N@@H+](CCSC)Cc1ccc(SC)s1 ZINC000592528392 1127353006 /nfs/dbraw/zinc/35/30/06/1127353006.db2.gz IODUPJMQILMLKJ-UHFFFAOYSA-N 0 1 261.481 3.655 20 0 CHADMN COc1ccc2nc(CN3CC[C@H]3C(C)C)sc2c1 ZINC000355627238 1127355176 /nfs/dbraw/zinc/35/51/76/1127355176.db2.gz XKVZSMHTUYUVTN-ZDUSSCGKSA-N 0 1 276.405 3.535 20 0 CHADMN Fc1cccc(CN2CCCc3sccc3C2)c1 ZINC000592982591 1127366394 /nfs/dbraw/zinc/36/63/94/1127366394.db2.gz OFWDCHZBSSWXJO-UHFFFAOYSA-N 0 1 261.365 3.836 20 0 CHADMN CC(C)C[C@H](C)N1CCO[C@@H](c2ccsc2)C1 ZINC000355906840 1127367224 /nfs/dbraw/zinc/36/72/24/1127367224.db2.gz NXMVJZATGVYWIW-GXTWGEPZSA-N 0 1 253.411 3.556 20 0 CHADMN CCC[C@]1(CO)CCN([C@@H](C)c2c(F)cccc2F)C1 ZINC000288944545 1127367836 /nfs/dbraw/zinc/36/78/36/1127367836.db2.gz XAQMFIVFMLBVNY-LRDDRELGSA-N 0 1 283.362 3.510 20 0 CHADMN CC(C)n1cc(CN(Cc2ccccc2)[C@@H](C)C2CC2)nn1 ZINC000289131737 1127374740 /nfs/dbraw/zinc/37/47/40/1127374740.db2.gz OQDJFKGHESJBGA-HNNXBMFYSA-N 0 1 298.434 3.660 20 0 CHADMN Cc1ccccc1C[N@@H+](CCCF)Cc1ccccn1 ZINC000574044618 1127370837 /nfs/dbraw/zinc/37/08/37/1127370837.db2.gz IRONOUBARPZNTG-UHFFFAOYSA-N 0 1 272.367 3.752 20 0 CHADMN Cc1ccccc1CN(CCCF)Cc1ccccn1 ZINC000574044618 1127370839 /nfs/dbraw/zinc/37/08/39/1127370839.db2.gz IRONOUBARPZNTG-UHFFFAOYSA-N 0 1 272.367 3.752 20 0 CHADMN Cc1ccc(C)c(OCCN(Cc2ccccn2)C2CC2)c1 ZINC000357193633 1127387555 /nfs/dbraw/zinc/38/75/55/1127387555.db2.gz VJSVKCRUSVURPE-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN Cc1ccc(C=Cc2nc(-c3ccc4[nH]cnc4c3)no2)o1 ZINC000356968431 1127385431 /nfs/dbraw/zinc/38/54/31/1127385431.db2.gz WWPHWMMAICQVEB-FNORWQNLSA-N 0 1 292.298 3.685 20 0 CHADMN CCc1ccc(C2=CCN(Cc3ccncc3)CC2)cc1 ZINC000357531354 1127391213 /nfs/dbraw/zinc/39/12/13/1127391213.db2.gz RKTHPJWASAKOCR-UHFFFAOYSA-N 0 1 278.399 3.933 20 0 CHADMN Cc1nc(CCNCc2nc(C(C)(C)C)cs2)cs1 ZINC000226386314 1127398010 /nfs/dbraw/zinc/39/80/10/1127398010.db2.gz SLKHTFISEIZMMI-UHFFFAOYSA-N 0 1 295.477 3.538 20 0 CHADMN CC(C)Oc1ccccc1CN1CC[C@H](C(F)(F)F)C1 ZINC000761040652 1127399155 /nfs/dbraw/zinc/39/91/55/1127399155.db2.gz IRDYNLKZWKZAQP-ZDUSSCGKSA-N 0 1 287.325 3.858 20 0 CHADMN COC[C@H](NCc1ccccc1SC)c1ccccc1 ZINC000358066997 1127400634 /nfs/dbraw/zinc/40/06/34/1127400634.db2.gz VEQHXZHEWBTDOJ-INIZCTEOSA-N 0 1 287.428 3.886 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](CO)c2cccc(F)c2)c(C)s1 ZINC000358154950 1127405230 /nfs/dbraw/zinc/40/52/30/1127405230.db2.gz IOLVMIBQUSMHLC-ZBEGNZNMSA-N 0 1 293.407 3.888 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)s1 ZINC000358238993 1127409931 /nfs/dbraw/zinc/40/99/31/1127409931.db2.gz GOFYNTVHFGXOLY-QWRGUYRKSA-N 0 1 292.452 3.964 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)s1 ZINC000358238994 1127410234 /nfs/dbraw/zinc/41/02/34/1127410234.db2.gz GOFYNTVHFGXOLY-WDEREUQCSA-N 0 1 292.452 3.964 20 0 CHADMN Cc1cccc2c1CC[C@H]2N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000358246112 1127410299 /nfs/dbraw/zinc/41/02/99/1127410299.db2.gz JKKSKOOIDZIPGS-SWLSCSKDSA-N 0 1 284.407 3.575 20 0 CHADMN CSc1ccc(CNCc2cc(C)cs2)o1 ZINC000641758110 1127413291 /nfs/dbraw/zinc/41/32/91/1127413291.db2.gz JBRRVQLDRNJCAN-UHFFFAOYSA-N 0 1 253.392 3.661 20 0 CHADMN CC(C)CCC[C@H](C)NCc1nnc(C(C)C)s1 ZINC000358306459 1127414672 /nfs/dbraw/zinc/41/46/72/1127414672.db2.gz VYQZCRGGIYLJNR-LBPRGKRZSA-N 0 1 269.458 3.966 20 0 CHADMN CC(C)c1ccc(NC(=O)CN2CCC3(CC3)CC2)cc1 ZINC000761062276 1127416025 /nfs/dbraw/zinc/41/60/25/1127416025.db2.gz LSNFZTLHJQZONE-UHFFFAOYSA-N 0 1 286.419 3.625 20 0 CHADMN c1nc(C2CCC2)sc1CNc1ccc2c[nH]nc2c1 ZINC000641782003 1127422997 /nfs/dbraw/zinc/42/29/97/1127422997.db2.gz HCAFMHFYYYVKCS-UHFFFAOYSA-N 0 1 284.388 3.899 20 0 CHADMN CCCCn1cc(CNCc2ccc(F)c(C)c2)c(C)n1 ZINC000358503842 1127424666 /nfs/dbraw/zinc/42/46/66/1127424666.db2.gz GZPYGGQDQNJAEN-UHFFFAOYSA-N 0 1 289.398 3.729 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)CC2CCC(C)CC2)c1 ZINC000358525658 1127425357 /nfs/dbraw/zinc/42/53/57/1127425357.db2.gz AIAQHDMXZBBJAK-UHFFFAOYSA-N 0 1 289.375 3.750 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000168292498 1127426904 /nfs/dbraw/zinc/42/69/04/1127426904.db2.gz JVSBJHJRHMLFJW-DGAVXFQQSA-N 0 1 277.412 3.799 20 0 CHADMN C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCN(C)[C@@H](C)C1 ZINC000761081482 1127434175 /nfs/dbraw/zinc/43/41/75/1127434175.db2.gz XBZVVGVZGJEORL-QWRGUYRKSA-N 0 1 287.234 3.690 20 0 CHADMN Cc1ncccc1CN[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000594784487 1127430371 /nfs/dbraw/zinc/43/03/71/1127430371.db2.gz NDYXZUMIFHXIOK-SNVBAGLBSA-N 0 1 280.293 3.658 20 0 CHADMN COc1cc2c(cc1F)nccc2NCC1CCC1 ZINC000358957435 1127440939 /nfs/dbraw/zinc/44/09/39/1127440939.db2.gz VCCSNUFLMUOOLT-UHFFFAOYSA-N 0 1 260.312 3.595 20 0 CHADMN COCCCC[C@H](N[C@H](C)c1cnccn1)c1ccccc1 ZINC000359036298 1127446097 /nfs/dbraw/zinc/44/60/97/1127446097.db2.gz OGUHVIOZYBSKEF-WBVHZDCISA-N 0 1 299.418 3.685 20 0 CHADMN C[C@@H]([NH2+]C/C=C/Cl)c1cc(Br)ccc1[O-] ZINC000903443708 1127447188 /nfs/dbraw/zinc/44/71/88/1127447188.db2.gz JFUTVUZGHIOXCN-IBDUZEINSA-N 0 1 290.588 3.558 20 0 CHADMN c1ccc([C@@H]2C[C@H]2CSc2nc(C3CC3)n[nH]2)cc1 ZINC000359163897 1127452203 /nfs/dbraw/zinc/45/22/03/1127452203.db2.gz XJHJWYHJZBMTKO-STQMWFEESA-N 0 1 271.389 3.578 20 0 CHADMN c1ccc([C@@H]2C[C@H]2CSc2n[nH]c(C3CC3)n2)cc1 ZINC000359163897 1127452204 /nfs/dbraw/zinc/45/22/04/1127452204.db2.gz XJHJWYHJZBMTKO-STQMWFEESA-N 0 1 271.389 3.578 20 0 CHADMN CCCc1noc(CN2CCC[C@H]2Cc2ccccc2C)n1 ZINC000359181643 1127453371 /nfs/dbraw/zinc/45/33/71/1127453371.db2.gz USKSLTALIVJLSS-INIZCTEOSA-N 0 1 299.418 3.538 20 0 CHADMN CCc1nc(C)c([C@H](C)N[C@H](C)c2cncc(F)c2)s1 ZINC000359251359 1127455335 /nfs/dbraw/zinc/45/53/35/1127455335.db2.gz XEIKYGOILVWIFY-ZJUUUORDSA-N 0 1 293.411 3.960 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1ccco1)[C@H]2C ZINC000359293078 1127456855 /nfs/dbraw/zinc/45/68/55/1127456855.db2.gz NDCUJJLQTWWMIT-STQMWFEESA-N 0 1 271.360 3.796 20 0 CHADMN CCCCn1cc(CN[C@H](C)c2cnccc2C)c(C)n1 ZINC000359317950 1127458709 /nfs/dbraw/zinc/45/87/09/1127458709.db2.gz UKHXGBBTALZERX-OAHLLOKOSA-N 0 1 286.423 3.546 20 0 CHADMN CCCCn1cc(CN[C@@H](C)c2cnccc2C)c(C)n1 ZINC000359317948 1127458835 /nfs/dbraw/zinc/45/88/35/1127458835.db2.gz UKHXGBBTALZERX-HNNXBMFYSA-N 0 1 286.423 3.546 20 0 CHADMN Cc1ccn2cc(CN[C@H](c3cccnc3)C(C)C)nc2c1 ZINC000359384101 1127461280 /nfs/dbraw/zinc/46/12/80/1127461280.db2.gz JHTRQUCFYMKEQF-SFHVURJKSA-N 0 1 294.402 3.525 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1cc(C2CC2)no1 ZINC000595376864 1127461619 /nfs/dbraw/zinc/46/16/19/1127461619.db2.gz KJKIALQIXJMSRR-NSHDSACASA-N 0 1 268.426 3.516 20 0 CHADMN COc1cc(C)c(CNc2cc3c(cn2)CCCC3)c(C)n1 ZINC000359468379 1127464116 /nfs/dbraw/zinc/46/41/16/1127464116.db2.gz OHCRIGXEGHQCQZ-UHFFFAOYSA-N 0 1 297.402 3.593 20 0 CHADMN CCc1ncc(CNc2cc3c(cn2)CCCC3)s1 ZINC000359466571 1127464442 /nfs/dbraw/zinc/46/44/42/1127464442.db2.gz JJFIEGAJBZKPGD-UHFFFAOYSA-N 0 1 273.405 3.591 20 0 CHADMN COc1cc2c(cc1F)nccc2NC[C@@H]1CCCS1 ZINC000359537564 1127466386 /nfs/dbraw/zinc/46/63/86/1127466386.db2.gz ZIKWCPVFIRERLQ-JTQLQIEISA-N 0 1 292.379 3.690 20 0 CHADMN COC(=O)c1sccc1CN1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359553357 1127467393 /nfs/dbraw/zinc/46/73/93/1127467393.db2.gz HJRVWITWCABXJJ-WBMJQRKESA-N 0 1 293.432 3.547 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(C(F)F)cc2)n1 ZINC000359575718 1127468599 /nfs/dbraw/zinc/46/85/99/1127468599.db2.gz DSDPGMOGBSKVGU-UHFFFAOYSA-N 0 1 276.330 3.960 20 0 CHADMN C[C@H](N[C@@H](c1cccnc1)C1CC1)c1ccc(Cl)cn1 ZINC000359627409 1127470237 /nfs/dbraw/zinc/47/02/37/1127470237.db2.gz CFNCWKHJGZGZJC-MEDUHNTESA-N 0 1 287.794 3.932 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CCCC2(CC2)C1 ZINC000359636969 1127470727 /nfs/dbraw/zinc/47/07/27/1127470727.db2.gz QWWIEWGPFQCRDT-UHFFFAOYSA-N 0 1 286.350 3.763 20 0 CHADMN C[C@H](NCCSC1CCCCC1)c1cscn1 ZINC000595668860 1127471958 /nfs/dbraw/zinc/47/19/58/1127471958.db2.gz PYNVTLYQKUGQOM-NSHDSACASA-N 0 1 270.467 3.860 20 0 CHADMN COC(=O)[C@@H]1CCN([C@H](C)c2ccc(Cl)cc2)C[C@@H]1C ZINC000595819294 1127476461 /nfs/dbraw/zinc/47/64/61/1127476461.db2.gz NSAQSHVIPOSZBB-YWPYICTPSA-N 0 1 295.810 3.532 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H](CC(C)C)c2cccs2)c1C ZINC000359923411 1127483736 /nfs/dbraw/zinc/48/37/36/1127483736.db2.gz WTFFVEDORARNQM-LBPRGKRZSA-N 0 1 291.420 3.605 20 0 CHADMN C[C@H](CN[C@H](C)c1ccc(Cl)cn1)C(F)(F)F ZINC000359972705 1127485060 /nfs/dbraw/zinc/48/50/60/1127485060.db2.gz XEEXEOQXZQOIKJ-HTQZYQBOSA-N 0 1 266.694 3.584 20 0 CHADMN CO[C@H](C)CN1CCC[C@H]1c1ccc(Br)cc1 ZINC000360004396 1127486348 /nfs/dbraw/zinc/48/63/48/1127486348.db2.gz OJPVZHFJCPJKTM-RISCZKNCSA-N 0 1 298.224 3.621 20 0 CHADMN CO[C@@H](C)CN1CCC[C@H]1c1ccc(Br)cc1 ZINC000360004394 1127486408 /nfs/dbraw/zinc/48/64/08/1127486408.db2.gz OJPVZHFJCPJKTM-FZMZJTMJSA-N 0 1 298.224 3.621 20 0 CHADMN CO[C@H](C)CN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000360027223 1127486711 /nfs/dbraw/zinc/48/67/11/1127486711.db2.gz GIBKXVHSWYLGBG-IAQYHMDHSA-N 0 1 269.335 3.527 20 0 CHADMN C[C@H]1C[C@H](C(C)(C)C)CC[N@H+]1Cc1cn(C)nc1Cl ZINC001308804373 1127487766 /nfs/dbraw/zinc/48/77/66/1127487766.db2.gz QQPCYLJHHCMHNQ-WCQYABFASA-N 0 1 283.847 3.720 20 0 CHADMN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1cn(C)nc1Cl ZINC001308804373 1127487768 /nfs/dbraw/zinc/48/77/68/1127487768.db2.gz QQPCYLJHHCMHNQ-WCQYABFASA-N 0 1 283.847 3.720 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2occc21)c1c(C)nn(C)c1C ZINC000360055598 1127488325 /nfs/dbraw/zinc/48/83/25/1127488325.db2.gz PEMQLAUBEBPGFA-CABCVRRESA-N 0 1 287.407 3.748 20 0 CHADMN Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCC1CC1 ZINC000360106662 1127489768 /nfs/dbraw/zinc/48/97/68/1127489768.db2.gz DIHIAFKISQRTIL-INIZCTEOSA-N 0 1 269.392 3.510 20 0 CHADMN Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCC1CC1 ZINC000360106663 1127490089 /nfs/dbraw/zinc/49/00/89/1127490089.db2.gz DIHIAFKISQRTIL-MRXNPFEDSA-N 0 1 269.392 3.510 20 0 CHADMN Cc1cccc(CN(CCC2CC2)Cc2cccc(C)n2)n1 ZINC000360152261 1127490802 /nfs/dbraw/zinc/49/08/02/1127490802.db2.gz YONWNGVHJDSPFD-UHFFFAOYSA-N 0 1 295.430 3.896 20 0 CHADMN CC1(C)CN(Cc2cc(O)cc(Cl)c2)[C@@H]1C1CC1 ZINC001308799913 1127486105 /nfs/dbraw/zinc/48/61/05/1127486105.db2.gz BVEGSCSNGRMXKZ-CQSZACIVSA-N 0 1 265.784 3.666 20 0 CHADMN COC1CCC(N(C)c2ccnc3cc(F)ccc32)CC1 ZINC000360342735 1127496641 /nfs/dbraw/zinc/49/66/41/1127496641.db2.gz NHLVKCSFVLRJSU-UHFFFAOYSA-N 0 1 288.366 3.768 20 0 CHADMN C[C@H](N[C@H](c1cnn(C)c1)c1ccccc1)c1ccccc1 ZINC000360365082 1127497608 /nfs/dbraw/zinc/49/76/08/1127497608.db2.gz GBQGULRAGVIQQC-KXBFYZLASA-N 0 1 291.398 3.860 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc2cc[nH]c2c1 ZINC000360446452 1127499694 /nfs/dbraw/zinc/49/96/94/1127499694.db2.gz VDSSWSYHGALGFK-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc2[nH]cnc21 ZINC000360692378 1127505903 /nfs/dbraw/zinc/50/59/03/1127505903.db2.gz ZMBJCAQUQPOARB-OLZOCXBDSA-N 0 1 299.418 3.850 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1 ZINC000360688672 1127506146 /nfs/dbraw/zinc/50/61/46/1127506146.db2.gz KFGDIOHNHYJYGF-NOLJZWGESA-N 0 1 297.402 3.522 20 0 CHADMN Fc1ccc([C@@H](C[C@@H]2CCOC2)NCc2ccco2)cc1 ZINC000293579489 1127507059 /nfs/dbraw/zinc/50/70/59/1127507059.db2.gz YKLALMSQGPVOMY-SUMWQHHRSA-N 0 1 289.350 3.676 20 0 CHADMN COc1cccc(CN2Cc3ccccc3C3(CC3)C2)c1 ZINC000360708710 1127507825 /nfs/dbraw/zinc/50/78/25/1127507825.db2.gz WRCNCWKIQBADHM-UHFFFAOYSA-N 0 1 279.383 3.743 20 0 CHADMN Cc1nocc1CNCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000293645127 1127510458 /nfs/dbraw/zinc/51/04/58/1127510458.db2.gz RYMOGEFDRQUQEY-UHFFFAOYSA-N 0 1 283.375 3.679 20 0 CHADMN COc1cc(C)ccc1CNCc1ccsc1C ZINC000293712142 1127514240 /nfs/dbraw/zinc/51/42/40/1127514240.db2.gz XXFQENMVVKWSTR-UHFFFAOYSA-N 0 1 261.390 3.663 20 0 CHADMN COc1cccc(C2(NCc3ccsc3C)CC2)c1 ZINC000293732138 1127516293 /nfs/dbraw/zinc/51/62/93/1127516293.db2.gz ZIEQRBKHQPDHNH-UHFFFAOYSA-N 0 1 273.401 3.844 20 0 CHADMN CCC[C@H](NCc1c(C)onc1CC)c1cccnc1 ZINC000293777315 1127520063 /nfs/dbraw/zinc/52/00/63/1127520063.db2.gz SQPLMUPXFGROBT-INIZCTEOSA-N 0 1 273.380 3.571 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CC[S@](=O)[C@H](C)[C@H]1C ZINC000360959653 1127523524 /nfs/dbraw/zinc/52/35/24/1127523524.db2.gz VEXDOTPVQNXTQY-MKSNKDDYSA-N 0 1 285.497 3.600 20 0 CHADMN CCc1noc(C)c1CN1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000360958412 1127524025 /nfs/dbraw/zinc/52/40/25/1127524025.db2.gz TVRHESNILZQZAJ-SJKOYZFVSA-N 0 1 285.391 3.524 20 0 CHADMN CSC[C@H]1CCC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000293886097 1127529547 /nfs/dbraw/zinc/52/95/47/1127529547.db2.gz JZXATUXWFORQQM-NSHDSACASA-N 0 1 285.840 3.621 20 0 CHADMN CSC[C@H]1CCC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000293886097 1127529550 /nfs/dbraw/zinc/52/95/50/1127529550.db2.gz JZXATUXWFORQQM-NSHDSACASA-N 0 1 285.840 3.621 20 0 CHADMN Cc1nc(SCc2ncc(C)cn2)[nH]c1-c1ccccc1 ZINC000361016535 1127530075 /nfs/dbraw/zinc/53/00/75/1127530075.db2.gz ZMSXJVAHEQBEFQ-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN CCc1cnc(CN(C)CCCc2ccsc2)s1 ZINC000360974129 1127525139 /nfs/dbraw/zinc/52/51/39/1127525139.db2.gz DZEMUHWHOLCSRQ-UHFFFAOYSA-N 0 1 280.462 3.832 20 0 CHADMN CCc1noc(C)c1CN[C@H]1CCCc2sccc21 ZINC000293852010 1127525995 /nfs/dbraw/zinc/52/59/95/1127525995.db2.gz YLROHMGIXJXHRF-AWEZNQCLSA-N 0 1 276.405 3.774 20 0 CHADMN c1csc(-c2cnc(CN3CCC[C@@H]3C3CC3)o2)c1 ZINC000597072264 1127527980 /nfs/dbraw/zinc/52/79/80/1127527980.db2.gz DSUONPZTNSGKCS-GFCCVEGCSA-N 0 1 274.389 3.778 20 0 CHADMN CCN(Cc1cc(C(F)(F)F)ccc1F)C[C@@H](C)OC ZINC000361021087 1127530904 /nfs/dbraw/zinc/53/09/04/1127530904.db2.gz DELLZNBWLQUXKA-SNVBAGLBSA-N 0 1 293.304 3.701 20 0 CHADMN CCCc1nc(C)c(CN[C@@H]2c3ccccc3C[C@@H]2C)o1 ZINC000293893881 1127530954 /nfs/dbraw/zinc/53/09/54/1127530954.db2.gz ZHXOITZKVPEPHV-SGTLLEGYSA-N 0 1 284.403 3.959 20 0 CHADMN COC(=O)c1ccc(CN[C@H]2CCCc3c(C)cccc32)o1 ZINC000597240800 1127535761 /nfs/dbraw/zinc/53/57/61/1127535761.db2.gz RCYXXQCEKDRTGW-INIZCTEOSA-N 0 1 299.370 3.542 20 0 CHADMN CCc1ncc(CN2CCC[C@@H](C(F)(F)F)[C@H]2C)s1 ZINC000361142534 1127541652 /nfs/dbraw/zinc/54/16/52/1127541652.db2.gz PVTCRXZTDKNPAK-MWLCHTKSSA-N 0 1 292.370 3.868 20 0 CHADMN Cc1ccc(CN2Cc3ccccc3C3(CC3)C2)o1 ZINC000361143890 1127541736 /nfs/dbraw/zinc/54/17/36/1127541736.db2.gz XXGZITGGWWZKJP-UHFFFAOYSA-N 0 1 253.345 3.635 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1cc(-n3ccnc3)cs1)C2 ZINC000361109538 1127538217 /nfs/dbraw/zinc/53/82/17/1127538217.db2.gz FMLHDWRSSLQYFQ-UHFFFAOYSA-N 0 1 295.411 3.758 20 0 CHADMN CC[C@H](N[C@@H](C)c1cccc(O)c1)c1c(C)nn(C)c1C ZINC000361183981 1127545681 /nfs/dbraw/zinc/54/56/81/1127545681.db2.gz HWZYENMRUZITEI-ZBEGNZNMSA-N 0 1 287.407 3.544 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cccc(O)c1)c1c(C)nn(C)c1C ZINC000361183980 1127545710 /nfs/dbraw/zinc/54/57/10/1127545710.db2.gz HWZYENMRUZITEI-MEDUHNTESA-N 0 1 287.407 3.544 20 0 CHADMN CCc1ccc(CN[C@H](c2ccccc2)C2(CO)CCC2)o1 ZINC000294069442 1127547023 /nfs/dbraw/zinc/54/70/23/1127547023.db2.gz YITUBCRJQWWEOS-GOSISDBHSA-N 0 1 299.414 3.836 20 0 CHADMN CC(C)O[C@H]1C[C@@H](NCc2csc(C3CC3)n2)C1(C)C ZINC000361228753 1127548372 /nfs/dbraw/zinc/54/83/72/1127548372.db2.gz NSGJLUXKHVDLTK-KGLIPLIRSA-N 0 1 294.464 3.702 20 0 CHADMN C=Cn1cc(CN(C)[C@@H]2CCCC[C@H]2C(F)(F)F)cn1 ZINC000361236016 1127549450 /nfs/dbraw/zinc/54/94/50/1127549450.db2.gz HDTKDDMWPAFVFG-CHWSQXEVSA-N 0 1 287.329 3.537 20 0 CHADMN FC[C@H]1CCC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000294114275 1127549768 /nfs/dbraw/zinc/54/97/68/1127549768.db2.gz SULMSZNWXUTNSW-QGZVFWFLSA-N 0 1 270.351 3.683 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1ccc(C)nc1)[C@@H]2C ZINC000361274817 1127552390 /nfs/dbraw/zinc/55/23/90/1127552390.db2.gz BFKIHESEJWCWOA-LSDHHAIUSA-N 0 1 296.414 3.906 20 0 CHADMN COc1cccc2c1OCC[C@@H]2N[C@H](C)c1cccs1 ZINC000361268155 1127552465 /nfs/dbraw/zinc/55/24/65/1127552465.db2.gz GBBDDWRLDHAQGA-YPMHNXCESA-N 0 1 289.400 3.931 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2cncc(C(F)(F)F)c2)C1 ZINC000361309992 1127555620 /nfs/dbraw/zinc/55/56/20/1127555620.db2.gz ROSQNOQCDLSTFM-QWRGUYRKSA-N 0 1 272.314 3.721 20 0 CHADMN CCC(C)=CC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000294328583 1127565488 /nfs/dbraw/zinc/56/54/88/1127565488.db2.gz HGOQDNGAORATIO-TYZQSYOASA-N 0 1 285.391 3.733 20 0 CHADMN Clc1sccc1CN1CCC[C@@]2(CCCOC2)C1 ZINC000361548794 1127570749 /nfs/dbraw/zinc/57/07/49/1127570749.db2.gz LFTVCJRQTZDDBK-CQSZACIVSA-N 0 1 285.840 3.794 20 0 CHADMN CCN(Cc1ccn(-c2ccc(F)cc2)n1)CC1CCC1 ZINC000361480625 1127566132 /nfs/dbraw/zinc/56/61/32/1127566132.db2.gz DDLLNQKGRNWPRB-UHFFFAOYSA-N 0 1 287.382 3.633 20 0 CHADMN CC1=CC[C@H](N[C@@H](c2nccn2C)c2cccc(F)c2)CC1 ZINC000294383584 1127568837 /nfs/dbraw/zinc/56/88/37/1127568837.db2.gz UZCUENUQISQRRU-DLBZAZTESA-N 0 1 299.393 3.737 20 0 CHADMN Cc1ccc2c(c1)CN(CCC(=O)Nc1ccccc1C)C2 ZINC000361585769 1127574283 /nfs/dbraw/zinc/57/42/83/1127574283.db2.gz KDXLXCVGTIPVOV-UHFFFAOYSA-N 0 1 294.398 3.648 20 0 CHADMN Cc1c2ccccc2oc1-c1nc(C2(N)CCCC2)no1 ZINC000361602115 1127576715 /nfs/dbraw/zinc/57/67/15/1127576715.db2.gz PNDBUHHHRVGOFM-UHFFFAOYSA-N 0 1 283.331 3.519 20 0 CHADMN CSCc1cc(F)ccc1CNCc1cc(C)ns1 ZINC000602497927 1127586454 /nfs/dbraw/zinc/58/64/54/1127586454.db2.gz BEELIKNVPBBOQM-UHFFFAOYSA-N 0 1 296.436 3.743 20 0 CHADMN CC[C@@H](N[C@H]1COc2ccc(Cl)cc21)c1ccncc1 ZINC000361762209 1127588138 /nfs/dbraw/zinc/58/81/38/1127588138.db2.gz AAKKQSPOLWPNSA-CABCVRRESA-N 0 1 288.778 3.909 20 0 CHADMN Cc1nc2c(s1)[C@H](N(C)Cc1ccncc1C)CCC2 ZINC000294685346 1127591109 /nfs/dbraw/zinc/59/11/09/1127591109.db2.gz DLIVPUJKCCDBOM-OAHLLOKOSA-N 0 1 287.432 3.664 20 0 CHADMN Cc1ccc(C(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000170184052 1127594868 /nfs/dbraw/zinc/59/48/68/1127594868.db2.gz GZZBRUZGYBEQKQ-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccccc1)c1cc(F)ccc1F ZINC000361884404 1127596320 /nfs/dbraw/zinc/59/63/20/1127596320.db2.gz CXYUVTJVJULHEE-PXAZEXFGSA-N 0 1 291.341 3.739 20 0 CHADMN CCO[C@@H]1CCCN([C@@H](C)c2cc(F)ccc2F)C1 ZINC000602578875 1127596392 /nfs/dbraw/zinc/59/63/92/1127596392.db2.gz MYFDEYNUUXDWDF-WCQYABFASA-N 0 1 269.335 3.527 20 0 CHADMN Cc1cccc(CNCc2cccc(C(F)(F)F)n2)c1 ZINC000294904356 1127606714 /nfs/dbraw/zinc/60/67/14/1127606714.db2.gz XOFZFBFMLUSKPR-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN Cc1cc(NCc2n[nH]c(C(C)C)n2)c2cccc(F)c2n1 ZINC000294843015 1127603704 /nfs/dbraw/zinc/60/37/04/1127603704.db2.gz ADKSTOINYQOHIO-UHFFFAOYSA-N 0 1 299.353 3.536 20 0 CHADMN CCn1cc([C@@H](C)NCc2ccc(C)c(Cl)c2)cn1 ZINC000294929664 1127609435 /nfs/dbraw/zinc/60/94/35/1127609435.db2.gz UJOMPQGCWUVPLB-GFCCVEGCSA-N 0 1 277.799 3.716 20 0 CHADMN C[C@H](CN(C)Cc1cc(F)ncc1F)c1ccccc1 ZINC000294967624 1127610847 /nfs/dbraw/zinc/61/08/47/1127610847.db2.gz WMEQWBMPJVLHGN-GFCCVEGCSA-N 0 1 276.330 3.595 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CC2CC(F)(F)C2)[C@H](C)CO1 ZINC000294964359 1127610884 /nfs/dbraw/zinc/61/08/84/1127610884.db2.gz LFLPWCUMOQPDDD-CJNGLKHVSA-N 0 1 295.373 3.802 20 0 CHADMN CN(Cc1cccs1)[C@H](CO)c1ccc(Cl)cc1 ZINC000295008353 1127614136 /nfs/dbraw/zinc/61/41/36/1127614136.db2.gz JDFJAHCFKRTTGI-CQSZACIVSA-N 0 1 281.808 3.567 20 0 CHADMN c1nnsc1CN[C@@H](c1ccccc1)C1CCCC1 ZINC000295031406 1127615044 /nfs/dbraw/zinc/61/50/44/1127615044.db2.gz WBLROKORNJTDSO-HNNXBMFYSA-N 0 1 273.405 3.559 20 0 CHADMN COc1ccc(Cl)c(CN2CCC(SC)CC2)c1 ZINC000602918538 1127621752 /nfs/dbraw/zinc/62/17/52/1127621752.db2.gz BEKDFBBTYKKDLW-UHFFFAOYSA-N 0 1 285.840 3.676 20 0 CHADMN FCC1CCN(Cc2cnc(-c3ccco3)s2)CC1 ZINC000295139014 1127622608 /nfs/dbraw/zinc/62/26/08/1127622608.db2.gz ZGFZVQLCWFHMNK-UHFFFAOYSA-N 0 1 280.368 3.585 20 0 CHADMN CC(C)CCC(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000362261430 1127623867 /nfs/dbraw/zinc/62/38/67/1127623867.db2.gz LPBDSDWTRNTAEA-UHFFFAOYSA-N 0 1 298.346 3.593 20 0 CHADMN Clc1ccc(CNCCOC2CCC2)c(Cl)c1 ZINC000690684480 1127626714 /nfs/dbraw/zinc/62/67/14/1127626714.db2.gz FWMFLNNZKYRUDJ-UHFFFAOYSA-N 0 1 274.191 3.652 20 0 CHADMN Cc1ccccc1[C@H](NCc1cc(F)ncc1F)C1CC1 ZINC000295198299 1127627042 /nfs/dbraw/zinc/62/70/42/1127627042.db2.gz OVBXHOQDVREBNX-QGZVFWFLSA-N 0 1 288.341 3.909 20 0 CHADMN Clc1cccc(CNCCOC2CCC2)c1Cl ZINC000690686582 1127628090 /nfs/dbraw/zinc/62/80/90/1127628090.db2.gz QFMQEVKOPVDZSB-UHFFFAOYSA-N 0 1 274.191 3.652 20 0 CHADMN CCn1ccnc1[C@H](C)NCc1cccc2ccccc21 ZINC000295217872 1127628670 /nfs/dbraw/zinc/62/86/70/1127628670.db2.gz MITBCTBTFGVISV-AWEZNQCLSA-N 0 1 279.387 3.907 20 0 CHADMN CCC1(C(=O)Nc2ccc3nc(C)[nH]c3c2)CCCC1 ZINC000362462070 1127637871 /nfs/dbraw/zinc/63/78/71/1127637871.db2.gz BROXNLRWENJNBV-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN C[C@@H]1CCCN(Cc2ccnc(C(F)(F)F)c2)[C@H]1C ZINC001232241062 1127644523 /nfs/dbraw/zinc/64/45/23/1127644523.db2.gz DCDQDUYAMXAJOK-MNOVXSKESA-N 0 1 272.314 3.721 20 0 CHADMN COc1cccc(CN[C@H]2c3ccccc3C[C@H]2C)c1F ZINC000669682024 1127650650 /nfs/dbraw/zinc/65/06/50/1127650650.db2.gz LOJWNVIVTLHYIK-KZULUSFZSA-N 0 1 285.362 3.857 20 0 CHADMN COc1cccc(CN[C@@H]2c3ccccc3C[C@H]2C)c1F ZINC000669682026 1127650960 /nfs/dbraw/zinc/65/09/60/1127650960.db2.gz LOJWNVIVTLHYIK-XIKOKIGWSA-N 0 1 285.362 3.857 20 0 CHADMN CC(C)c1ccc(OCCN[C@@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000295879806 1127656536 /nfs/dbraw/zinc/65/65/36/1127656536.db2.gz HOBBZNMZSAPOMK-RHSMWYFYSA-N 0 1 299.418 3.681 20 0 CHADMN CC(C)c1ccc(OCCN[C@@H]2C[C@H](C)n3ccnc32)cc1 ZINC000295879810 1127656831 /nfs/dbraw/zinc/65/68/31/1127656831.db2.gz HOBBZNMZSAPOMK-WMLDXEAASA-N 0 1 299.418 3.681 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000295950040 1127658130 /nfs/dbraw/zinc/65/81/30/1127658130.db2.gz LIVQPFZPSXWSHJ-CJNGLKHVSA-N 0 1 269.392 3.705 20 0 CHADMN COc1ccc([C@H](N[C@H]2C[C@H](C)n3ccnc32)C(C)C)cc1 ZINC000295972352 1127659039 /nfs/dbraw/zinc/65/90/39/1127659039.db2.gz MUALJEPPULCFJA-RRQGHBQHSA-N 0 1 299.418 3.884 20 0 CHADMN CC[C@H](N[C@@H](C)c1nccn1CC)c1ccc(OC)cc1 ZINC000296048569 1127662211 /nfs/dbraw/zinc/66/22/11/1127662211.db2.gz RANSJAVVYABCTM-BBRMVZONSA-N 0 1 287.407 3.714 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H](C)c1ccccc1C ZINC000296170561 1127664331 /nfs/dbraw/zinc/66/43/31/1127664331.db2.gz XSLVEFRDTOZSKE-KGLIPLIRSA-N 0 1 257.381 3.623 20 0 CHADMN CCCOc1ncccc1CNCc1csc(C)c1 ZINC000296252975 1127666498 /nfs/dbraw/zinc/66/64/98/1127666498.db2.gz CYSWWLOMPOBHNZ-UHFFFAOYSA-N 0 1 276.405 3.530 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2C[C@@H](C)Oc3ccccc32)c(C)n1 ZINC000296262025 1127667274 /nfs/dbraw/zinc/66/72/74/1127667274.db2.gz DHBWSKAHNUPUGM-BTJLNZGRSA-N 0 1 297.402 3.656 20 0 CHADMN Fc1ccc([C@@H](NCc2cnns2)C2CCCC2)cc1 ZINC000296321254 1127668924 /nfs/dbraw/zinc/66/89/24/1127668924.db2.gz OJIRSXQGNWBZLB-HNNXBMFYSA-N 0 1 291.395 3.698 20 0 CHADMN CC[C@H](NCc1cccnc1N)c1cccc(Cl)c1 ZINC000296382928 1127670356 /nfs/dbraw/zinc/67/03/56/1127670356.db2.gz UGEZNTMDJHXDNY-AWEZNQCLSA-N 0 1 275.783 3.558 20 0 CHADMN CC(C)c1nc(CN[C@H]2C[C@H](C(C)C)c3ccccc32)n[nH]1 ZINC000296393610 1127670601 /nfs/dbraw/zinc/67/06/01/1127670601.db2.gz KFCUQPOPMCYVGF-CVEARBPZSA-N 0 1 298.434 3.902 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2csc3ccccc23)[C@@H](C(=O)[O-])C1 ZINC000229305831 1127670753 /nfs/dbraw/zinc/67/07/53/1127670753.db2.gz CXHBDDUZZJBIEE-SMDDNHRTSA-N 0 1 289.400 3.586 20 0 CHADMN CSC[C@@H]1CCCN(Cc2cc(O)ccc2Cl)C1 ZINC000599426579 1127671395 /nfs/dbraw/zinc/67/13/95/1127671395.db2.gz JABAAXYITOQAAA-LLVKDONJSA-N 0 1 285.840 3.621 20 0 CHADMN c1ccc([C@@H]2CN(c3ccnc4ccccc43)CCO2)cc1 ZINC000599453358 1127672506 /nfs/dbraw/zinc/67/25/06/1127672506.db2.gz CEIJJZJTASWRSL-IBGZPJMESA-N 0 1 290.366 3.813 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](C)NCc1n[nH]c(C(C)C)n1 ZINC000296659146 1127681133 /nfs/dbraw/zinc/68/11/33/1127681133.db2.gz ZQNFCSFJCHGALA-GFCCVEGCSA-N 0 1 298.390 3.834 20 0 CHADMN C[C@@H]1C[C@H](N[C@H]2c3ccccc3CC[C@H]2C)c2nccn21 ZINC000296796501 1127683532 /nfs/dbraw/zinc/68/35/32/1127683532.db2.gz LGIBGYTTYOYWQC-UTJXIGIESA-N 0 1 281.403 3.802 20 0 CHADMN CC1(C)CC[C@@H](N[C@H]2CCn3ccnc32)c2ccccc21 ZINC000296644188 1127680068 /nfs/dbraw/zinc/68/00/68/1127680068.db2.gz CYKOABGQEOIXTK-CVEARBPZSA-N 0 1 281.403 3.730 20 0 CHADMN CC[C@H]1c2ccccc2CCN1CC(=O)Nc1ccccc1 ZINC000603944337 1127684728 /nfs/dbraw/zinc/68/47/28/1127684728.db2.gz LDUYSAOLGUOTTI-SFHVURJKSA-N 0 1 294.398 3.635 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2cccc(C)c2F)n[nH]1 ZINC000296966817 1127686571 /nfs/dbraw/zinc/68/65/71/1127686571.db2.gz URJCKSKBITVHIG-CMPLNLGQSA-N 0 1 290.386 3.617 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H]1c2ccccc2CC[C@@H]1C ZINC000296989810 1127687372 /nfs/dbraw/zinc/68/73/72/1127687372.db2.gz SIIIRBWICMTOLL-GRDNDAEWSA-N 0 1 283.419 3.877 20 0 CHADMN Cc1cc(C(C#N)C(=O)CCCC2CCCC2)nc(C)n1 ZINC000076822495 1127688920 /nfs/dbraw/zinc/68/89/20/1127688920.db2.gz SSEGAUZRNDLZAJ-OAHLLOKOSA-N 0 1 285.391 3.630 20 0 CHADMN CC(C)CC[N@@H+](C)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000604043281 1127690033 /nfs/dbraw/zinc/69/00/33/1127690033.db2.gz ZRTNILRFHVVYFO-ZDUSSCGKSA-N 0 1 273.380 3.776 20 0 CHADMN CC(C)CCN(C)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000604043281 1127690035 /nfs/dbraw/zinc/69/00/35/1127690035.db2.gz ZRTNILRFHVVYFO-ZDUSSCGKSA-N 0 1 273.380 3.776 20 0 CHADMN COc1cccc(CN2CCCc3ccccc3C2)c1F ZINC000669708130 1127691096 /nfs/dbraw/zinc/69/10/96/1127691096.db2.gz KUUOHASGPNRAHE-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN COc1cccc(CN2CCS[C@H]3CCCC[C@@H]32)c1F ZINC000669708931 1127691703 /nfs/dbraw/zinc/69/17/03/1127691703.db2.gz XHUJMWBHDTXKOG-ZFWWWQNUSA-N 0 1 295.423 3.694 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](Cc2cn3ccccc3n2)CC1 ZINC000604055139 1127691810 /nfs/dbraw/zinc/69/18/10/1127691810.db2.gz LMDNVDKLJGNHJT-HNNXBMFYSA-N 0 1 271.408 3.592 20 0 CHADMN CC(C)c1ccc(O[C@@H](C)CN[C@@H]2CCn3ccnc32)cc1 ZINC000297468881 1127696891 /nfs/dbraw/zinc/69/68/91/1127696891.db2.gz YLTAOXFHNWPNLD-WMLDXEAASA-N 0 1 299.418 3.508 20 0 CHADMN CC(C)n1cc(CN(C)[C@H]2CCC[C@@H]2c2ccccc2)nn1 ZINC000297595026 1127700613 /nfs/dbraw/zinc/70/06/13/1127700613.db2.gz TWSMKJYYHYULCI-MSOLQXFVSA-N 0 1 298.434 3.627 20 0 CHADMN Cc1nnc(CN2CCCC3(CCCCC3)CC2)s1 ZINC000364454029 1127700772 /nfs/dbraw/zinc/70/07/72/1127700772.db2.gz NJKKAXXOYXGLPW-UHFFFAOYSA-N 0 1 279.453 3.783 20 0 CHADMN CC(C)(N[C@@H]1CCC[C@H](c2cccnc2)C1)C(F)F ZINC000669713691 1127702153 /nfs/dbraw/zinc/70/21/53/1127702153.db2.gz VXAWMXHAQFXLAT-WCQYABFASA-N 0 1 268.351 3.741 20 0 CHADMN CN1CCC[C@H]1C(=O)N[C@H](CC1CCCCC1)C(C)(C)C ZINC000604371762 1127702656 /nfs/dbraw/zinc/70/26/56/1127702656.db2.gz JUVDAKWODFJXFT-JKSUJKDBSA-N 0 1 294.483 3.582 20 0 CHADMN CC[C@@H](C)CN(C)Cc1nc(Cl)ccc1Cl ZINC000061630401 1127707232 /nfs/dbraw/zinc/70/72/32/1127707232.db2.gz FMUYMWKURJEWGY-SECBINFHSA-N 0 1 261.196 3.866 20 0 CHADMN CC[C@H]1CCN1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000297820672 1127709412 /nfs/dbraw/zinc/70/94/12/1127709412.db2.gz QMJJDFNETDGCBU-VIFPVBQESA-N 0 1 294.305 3.517 20 0 CHADMN CCC[C@H](N)c1cc(-c2ccccc2Br)no1 ZINC000229873820 1127712281 /nfs/dbraw/zinc/71/22/81/1127712281.db2.gz ALEDXKGHUNLCLV-NSHDSACASA-N 0 1 295.180 3.904 20 0 CHADMN COCCCCCSc1nc2ccc(C)cc2[nH]1 ZINC000604839694 1127717426 /nfs/dbraw/zinc/71/74/26/1127717426.db2.gz WWVFSKCIJIODMT-UHFFFAOYSA-N 0 1 264.394 3.780 20 0 CHADMN C[C@@H](CSc1nc(-c2ccccn2)n[nH]1)c1ccccc1 ZINC000604933223 1127721189 /nfs/dbraw/zinc/72/11/89/1127721189.db2.gz NBGYNAZSJPBTEA-LBPRGKRZSA-N 0 1 296.399 3.763 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCCOC(C)(C)C1 ZINC000604999381 1127725672 /nfs/dbraw/zinc/72/56/72/1127725672.db2.gz LEOQQNREIVVAQO-LLVKDONJSA-N 0 1 269.335 3.527 20 0 CHADMN C[C@@H]1[C@H](C)SCCN1CCSc1ccccc1F ZINC000605317137 1127734490 /nfs/dbraw/zinc/73/44/90/1127734490.db2.gz WBZSAHHZPNXMIR-NEPJUHHUSA-N 0 1 285.453 3.744 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)N[C@H](C)C3CC3)n2)ccc1F ZINC000298857111 1127735052 /nfs/dbraw/zinc/73/50/52/1127735052.db2.gz FQVMYSSSPOENLM-GHMZBOCLSA-N 0 1 289.354 3.633 20 0 CHADMN C[C@]1(c2ccccc2)CCCN(Cn2cccnc2=S)C1 ZINC000172067904 1127744669 /nfs/dbraw/zinc/74/46/69/1127744669.db2.gz IJCFXWFBCNGZCC-KRWDZBQOSA-N 0 1 299.443 3.624 20 0 CHADMN Cc1cc(F)ccc1C1CCN(Cc2ccnc(C)n2)CC1 ZINC000366385963 1127745644 /nfs/dbraw/zinc/74/56/44/1127745644.db2.gz LUMZGELIPAYZBK-UHFFFAOYSA-N 0 1 299.393 3.612 20 0 CHADMN FC1(c2ccc(Cl)cc2)CCN(Cc2ccno2)CC1 ZINC000366907510 1127748404 /nfs/dbraw/zinc/74/84/04/1127748404.db2.gz BBGPQMBWZJGQCM-UHFFFAOYSA-N 0 1 294.757 3.789 20 0 CHADMN CC(C)OC[C@H](C)N[C@H](c1ccco1)c1ccccc1 ZINC000367042846 1127749388 /nfs/dbraw/zinc/74/93/88/1127749388.db2.gz KZTXMPXAGKHJEZ-YOEHRIQHSA-N 0 1 273.376 3.772 20 0 CHADMN COc1cccc(CN[C@H](c2ncc[nH]2)C2CCCCC2)c1 ZINC000367622678 1127754416 /nfs/dbraw/zinc/75/44/16/1127754416.db2.gz VAAYSHLBEWHETD-KRWDZBQOSA-N 0 1 299.418 3.830 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000606377475 1127760790 /nfs/dbraw/zinc/76/07/90/1127760790.db2.gz WUABPOVNARPOQA-SWLSCSKDSA-N 0 1 277.412 3.574 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1CC(=O)Nc1ccccc1F ZINC000606434217 1127761937 /nfs/dbraw/zinc/76/19/37/1127761937.db2.gz QKOWAZQBSLGQOC-BBRMVZONSA-N 0 1 292.398 3.665 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000615223485 1127765191 /nfs/dbraw/zinc/76/51/91/1127765191.db2.gz GPFOITFXMHQLIA-UHFFFAOYSA-N 0 1 284.146 3.531 20 0 CHADMN C([C@H]1CCC2(CCCCC2)O1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000409446850 1127768084 /nfs/dbraw/zinc/76/80/84/1127768084.db2.gz RABZJWUUBGZPEE-BRWVUGGUSA-N 0 1 293.451 3.512 20 0 CHADMN Fc1ccc(CN2CCC(c3ccccn3)CC2)c(F)c1 ZINC000372220113 1127792177 /nfs/dbraw/zinc/79/21/77/1127792177.db2.gz XXSKOGYJRNZBMV-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000607155115 1127792756 /nfs/dbraw/zinc/79/27/56/1127792756.db2.gz LOBGRRGFGMCLTB-WDEREUQCSA-N 0 1 291.782 3.620 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2cc(Br)ccc2F)C1 ZINC000607154811 1127789719 /nfs/dbraw/zinc/78/97/19/1127789719.db2.gz DBGLYCOFMXIBDP-NXEZZACHSA-N 0 1 286.188 3.819 20 0 CHADMN Fc1ccccc1[C@H](Cc1ccccc1)NCc1cn[nH]c1 ZINC000607168228 1127794141 /nfs/dbraw/zinc/79/41/41/1127794141.db2.gz SCWWVLZRDNRREH-SFHVURJKSA-N 0 1 295.361 3.622 20 0 CHADMN CCc1nc(CN[C@@H](C)Cc2ccccc2Cl)co1 ZINC001326623912 1127809176 /nfs/dbraw/zinc/80/91/76/1127809176.db2.gz VOOUTWGNODVCOX-NSHDSACASA-N 0 1 278.783 3.611 20 0 CHADMN Cc1cccc(-c2nnc([C@H](C)N(C)CCC3CC3)o2)c1 ZINC000372722805 1127809858 /nfs/dbraw/zinc/80/98/58/1127809858.db2.gz AUXUXVLIURQBCK-ZDUSSCGKSA-N 0 1 285.391 3.838 20 0 CHADMN CC[C@H](NC(=O)c1[nH]nc(C)c1C)C(C)(C)c1ccccc1 ZINC000607659973 1127818723 /nfs/dbraw/zinc/81/87/23/1127818723.db2.gz DPHDUZLTLMEQAN-HNNXBMFYSA-N 0 1 299.418 3.513 20 0 CHADMN Cc1cc(CN[C@@H]2CCOc3c(F)cccc32)ccc1F ZINC000372877450 1127817109 /nfs/dbraw/zinc/81/71/09/1127817109.db2.gz LGUCKTJYSUQJIB-MRXNPFEDSA-N 0 1 289.325 3.887 20 0 CHADMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cn1cc[nH]c1=S ZINC000173352235 1127819698 /nfs/dbraw/zinc/81/96/98/1127819698.db2.gz CKJBWNZERUQXSK-WCQYABFASA-N 0 1 291.395 3.520 20 0 CHADMN C[C@@H]1CCC[C@H](C)CN1Cc1ncc(C(C)(C)C)o1 ZINC000607742813 1127822515 /nfs/dbraw/zinc/82/25/15/1127822515.db2.gz PLQILJODORURJM-QWHCGFSZSA-N 0 1 264.413 3.983 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)CCOCC1CC1 ZINC000607727160 1127826217 /nfs/dbraw/zinc/82/62/17/1127826217.db2.gz KAKLFPSILMBQBO-GFCCVEGCSA-N 0 1 267.800 3.759 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)[C@H]1CCOC1)c1nccs1 ZINC000373163271 1127826322 /nfs/dbraw/zinc/82/63/22/1127826322.db2.gz HWMPSGNWVXIVPF-AEGPPILISA-N 0 1 288.416 3.572 20 0 CHADMN CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000373256935 1127830571 /nfs/dbraw/zinc/83/05/71/1127830571.db2.gz CKTHQYKOKSFLKJ-CHWSQXEVSA-N 0 1 286.419 3.785 20 0 CHADMN Fc1cccc([C@@H]2C[C@@H]2N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000411123756 1127841833 /nfs/dbraw/zinc/84/18/33/1127841833.db2.gz DXLUMDPUFBIHJU-XBFCOCLRSA-N 0 1 287.300 3.956 20 0 CHADMN COC(=O)c1cc(CN(C)[C@@H](C)c2ccccc2)cs1 ZINC000411141462 1127842874 /nfs/dbraw/zinc/84/28/74/1127842874.db2.gz YYSWTHCXGBEEJI-LBPRGKRZSA-N 0 1 289.400 3.728 20 0 CHADMN CCCN(CCC)[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000411169748 1127844452 /nfs/dbraw/zinc/84/44/52/1127844452.db2.gz URSXNXYYLOPEBS-ZDUSSCGKSA-N 0 1 273.380 3.920 20 0 CHADMN Cc1cc(CNCc2nn(C)c3ccccc23)c(C)s1 ZINC000608058503 1127846176 /nfs/dbraw/zinc/84/61/76/1127846176.db2.gz WDDXKFJFWZCCPZ-UHFFFAOYSA-N 0 1 285.416 3.541 20 0 CHADMN Fc1ccc(CN(CCc2cncs2)C2CC2)c(F)c1 ZINC000411168299 1127846212 /nfs/dbraw/zinc/84/62/12/1127846212.db2.gz AJKJVPMZPWYLMD-UHFFFAOYSA-N 0 1 294.370 3.628 20 0 CHADMN c1cncc(-c2n[nH]c(SCCC3CCCCC3)n2)c1 ZINC000608101954 1127849507 /nfs/dbraw/zinc/84/95/07/1127849507.db2.gz GQWJFERMPYPKKR-UHFFFAOYSA-N 0 1 288.420 3.929 20 0 CHADMN CCN(C)Cc1cc(Br)ccc1Cl ZINC000307616172 1127850384 /nfs/dbraw/zinc/85/03/84/1127850384.db2.gz NKFSZDBBQANUCJ-UHFFFAOYSA-N 0 1 262.578 3.554 20 0 CHADMN CCN(Cc1cnc2ccc(C)cc2c1)Cc1ccccn1 ZINC000411314927 1127853014 /nfs/dbraw/zinc/85/30/14/1127853014.db2.gz GDQPXWAXECAOPK-UHFFFAOYSA-N 0 1 291.398 3.960 20 0 CHADMN CC[C@H](N[C@H]1C[C@H]1c1cccc(F)c1)c1nccs1 ZINC000411518454 1127864243 /nfs/dbraw/zinc/86/42/43/1127864243.db2.gz PJFTVSXUFHTIJU-IHRRRGAJSA-N 0 1 276.380 3.879 20 0 CHADMN Cc1ccc(CN2CCC(n3cccn3)CC2)c(Cl)c1 ZINC000373909597 1127866725 /nfs/dbraw/zinc/86/67/25/1127866725.db2.gz LGDIPPZRIFRYJS-UHFFFAOYSA-N 0 1 289.810 3.682 20 0 CHADMN CCc1noc(C[N@@H+](C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)n1 ZINC000608501451 1127871293 /nfs/dbraw/zinc/87/12/93/1127871293.db2.gz NNNORHJQCGDAQM-JKSUJKDBSA-N 0 1 299.418 3.709 20 0 CHADMN CCc1noc(CN(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)n1 ZINC000608501451 1127871296 /nfs/dbraw/zinc/87/12/96/1127871296.db2.gz NNNORHJQCGDAQM-JKSUJKDBSA-N 0 1 299.418 3.709 20 0 CHADMN COc1ccc(C)cc1CN1C2CCCC1CCC2 ZINC000608498856 1127871483 /nfs/dbraw/zinc/87/14/83/1127871483.db2.gz DDIPVANJKCYCTB-UHFFFAOYSA-N 0 1 259.393 3.911 20 0 CHADMN Cc1cccc2nc(CN3C4CCCC3CCC4)cn21 ZINC000608499295 1127871755 /nfs/dbraw/zinc/87/17/55/1127871755.db2.gz FNERPSMUBQQPOV-UHFFFAOYSA-N 0 1 269.392 3.550 20 0 CHADMN C[C@]1(F)CCCN(Cc2c[nH]c3cc(Cl)ncc23)C1 ZINC001232819195 1127873507 /nfs/dbraw/zinc/87/35/07/1127873507.db2.gz UQNMVBSERDWILH-AWEZNQCLSA-N 0 1 281.762 3.540 20 0 CHADMN CCN(CCC(F)(F)F)Cc1ccccc1N(C)C ZINC000608561693 1127877959 /nfs/dbraw/zinc/87/79/59/1127877959.db2.gz MRLUKDPHAOWPLH-UHFFFAOYSA-N 0 1 274.330 3.527 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(Br)co2)cc1 ZINC001232854551 1127885467 /nfs/dbraw/zinc/88/54/67/1127885467.db2.gz MMMUXFWTHOMCBH-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN CCC(CC)n1ccc(CN[C@@H](C)[C@@](C)(OC)C2CC2)n1 ZINC000411968511 1127883975 /nfs/dbraw/zinc/88/39/75/1127883975.db2.gz JWNSJVQLCPJEME-SUMWQHHRSA-N 0 1 293.455 3.537 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCC3(CCCC3)C2)n1 ZINC000174268290 1127884737 /nfs/dbraw/zinc/88/47/37/1127884737.db2.gz MFZGLUFFYYRKPQ-CYBMUJFWSA-N 0 1 277.412 3.739 20 0 CHADMN C[C@@H]1CC(C)(C)CN1Cc1nc(C2CC2)cs1 ZINC000412039274 1127892494 /nfs/dbraw/zinc/89/24/94/1127892494.db2.gz JJAUILVPNYXNIG-SNVBAGLBSA-N 0 1 250.411 3.641 20 0 CHADMN C[C@H](c1nc(Cc2ccccc2)no1)N1CC(C)(C)C[C@@H]1C ZINC000412039982 1127893511 /nfs/dbraw/zinc/89/35/11/1127893511.db2.gz JXXOSJAIRKFGRZ-UONOGXRCSA-N 0 1 299.418 3.842 20 0 CHADMN Fc1ccc(CN2C[C@H]3CCC[C@@H]3C2)c(Cl)c1F ZINC001232874572 1127894851 /nfs/dbraw/zinc/89/48/51/1127894851.db2.gz WTDUPDLBCDDQEC-NXEZZACHSA-N 0 1 271.738 3.850 20 0 CHADMN CCOC1(C)CCN(Cc2cc(OC)ccc2Cl)CC1 ZINC000428759118 1127900951 /nfs/dbraw/zinc/90/09/51/1127900951.db2.gz NYRYPRIYZDISOQ-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN FC(F)(F)[C@H]1CC[N@@H+](C/C=C/Cl)CC12CCC2 ZINC000374571280 1127904565 /nfs/dbraw/zinc/90/45/65/1127904565.db2.gz PWCKNSHZVJJNSP-LFKJVQOCSA-N 0 1 267.722 3.793 20 0 CHADMN FC(F)(F)[C@H]1CCN(C/C=C/Cl)CC12CCC2 ZINC000374571280 1127904568 /nfs/dbraw/zinc/90/45/68/1127904568.db2.gz PWCKNSHZVJJNSP-LFKJVQOCSA-N 0 1 267.722 3.793 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C[C@@H]2C)cc1 ZINC000232649944 1127902867 /nfs/dbraw/zinc/90/28/67/1127902867.db2.gz JTGYQYRERXHERR-YOEHRIQHSA-N 0 1 289.419 3.570 20 0 CHADMN Cc1ccc(CN[C@H](c2cnn(C)c2)c2ccccc2)cc1 ZINC000374650768 1127908030 /nfs/dbraw/zinc/90/80/30/1127908030.db2.gz YJMQQECEWZRVCF-IBGZPJMESA-N 0 1 291.398 3.608 20 0 CHADMN CN(Cc1ccsc1Cl)CC1CC(F)(F)C1 ZINC001233058595 1127916189 /nfs/dbraw/zinc/91/61/89/1127916189.db2.gz POGPFLVNRFTJMY-UHFFFAOYSA-N 0 1 265.756 3.879 20 0 CHADMN C[C@@H](NCc1cnc(C2CC2)s1)c1ccsc1 ZINC000669830984 1127930385 /nfs/dbraw/zinc/93/03/85/1127930385.db2.gz HHYDBDPKJAMZQS-SECBINFHSA-N 0 1 264.419 3.933 20 0 CHADMN Cc1cccc2ncc(CN[C@@H](C)c3ccsc3)n21 ZINC000669830859 1127930790 /nfs/dbraw/zinc/93/07/90/1127930790.db2.gz SCVBTAJQJYOWAD-LBPRGKRZSA-N 0 1 271.389 3.555 20 0 CHADMN C[C@@H](NCc1cnc([C@H]2CCCO2)s1)c1ccsc1 ZINC000669830959 1127930818 /nfs/dbraw/zinc/93/08/18/1127930818.db2.gz FJGJBJGEFSQKFA-ZWNOBZJWSA-N 0 1 294.445 3.907 20 0 CHADMN Fc1cccc(F)c1[C@H]1CCN(CCC(F)(F)F)C1 ZINC000375094185 1127931340 /nfs/dbraw/zinc/93/13/40/1127931340.db2.gz LCPPTPRDEFMURX-VIFPVBQESA-N 0 1 279.252 3.707 20 0 CHADMN C[C@H]1CCCC[C@@]1(C)NCc1nc(Cc2ccccc2)no1 ZINC000308692362 1127931462 /nfs/dbraw/zinc/93/14/62/1127931462.db2.gz ASZFXOPHOFXBSS-KBXCAEBGSA-N 0 1 299.418 3.719 20 0 CHADMN Fc1cccc(C2CCN(Cc3ccccn3)CC2)c1F ZINC000375216915 1127934317 /nfs/dbraw/zinc/93/43/17/1127934317.db2.gz ACGWPVIPJFCBKA-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1cccc2sc(=NCc3ccc4nc[nH]c4c3)[nH]c21 ZINC000539708627 1127936898 /nfs/dbraw/zinc/93/68/98/1127936898.db2.gz LARILBAUFMRJGU-UHFFFAOYSA-N 0 1 294.383 3.515 20 0 CHADMN Cc1cccc2sc(NCc3ccc4[nH]cnc4c3)nc21 ZINC000539708627 1127936900 /nfs/dbraw/zinc/93/69/00/1127936900.db2.gz LARILBAUFMRJGU-UHFFFAOYSA-N 0 1 294.383 3.515 20 0 CHADMN Cc1nc([C@H](C)SC[C@@H](C)c2ccccc2)n[nH]1 ZINC000413008090 1127939267 /nfs/dbraw/zinc/93/92/67/1127939267.db2.gz WKSZAVXYSSNYFE-MNOVXSKESA-N 0 1 261.394 3.711 20 0 CHADMN CSc1ccccc1NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000413102085 1127942608 /nfs/dbraw/zinc/94/26/08/1127942608.db2.gz VACZBSHZYYBEDV-UPJWGTAASA-N 0 1 292.448 3.608 20 0 CHADMN CC[C@H]1C[N@@H+](Cc2ccc(OC(C)C)cc2)CCS1 ZINC000539828532 1127945516 /nfs/dbraw/zinc/94/55/16/1127945516.db2.gz QKVJHPKRBKATRU-INIZCTEOSA-N 0 1 279.449 3.801 20 0 CHADMN CC[C@@]1(C)CCN(Cc2cc(F)c(F)c(F)c2)C1 ZINC000539851980 1127949493 /nfs/dbraw/zinc/94/94/93/1127949493.db2.gz ZHFKGBZGEHVUND-AWEZNQCLSA-N 0 1 257.299 3.726 20 0 CHADMN CCC(C)(C)N(C)Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000466968743 1127952389 /nfs/dbraw/zinc/95/23/89/1127952389.db2.gz FWNBCIUXUFNJCC-UHFFFAOYSA-N 0 1 292.814 3.541 20 0 CHADMN FCCC[C@H]1CCC[C@@H]1Nc1cnn(-c2ccncc2)c1 ZINC000669849049 1127953263 /nfs/dbraw/zinc/95/32/63/1127953263.db2.gz GRZATVIZAZUGSQ-CJNGLKHVSA-N 0 1 288.370 3.598 20 0 CHADMN COC[C@H]1CCCC[N@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000467117875 1127955567 /nfs/dbraw/zinc/95/55/67/1127955567.db2.gz NEXGPSAIXRYSGK-STQMWFEESA-N 0 1 283.362 3.774 20 0 CHADMN Cc1ccc(C[N@@H+](CCO)Cc2ccc(Cl)s2)cc1 ZINC000544033607 1127955927 /nfs/dbraw/zinc/95/59/27/1127955927.db2.gz FRWGTHDCRUHTJK-UHFFFAOYSA-N 0 1 295.835 3.704 20 0 CHADMN Cc1ccc(CN(CCO)Cc2ccc(Cl)s2)cc1 ZINC000544033607 1127955930 /nfs/dbraw/zinc/95/59/30/1127955930.db2.gz FRWGTHDCRUHTJK-UHFFFAOYSA-N 0 1 295.835 3.704 20 0 CHADMN C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000539997463 1127957258 /nfs/dbraw/zinc/95/72/58/1127957258.db2.gz UARDJTHJWCYRIC-OLZOCXBDSA-N 0 1 298.390 3.627 20 0 CHADMN Cc1nc(CN(C)C[C@@H]2CC=CCC2)nc2ccccc12 ZINC000544118640 1127959315 /nfs/dbraw/zinc/95/93/15/1127959315.db2.gz ZVMAXAMTKLYHIX-OAHLLOKOSA-N 0 1 281.403 3.726 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c(C)c1 ZINC000540140418 1127962282 /nfs/dbraw/zinc/96/22/82/1127962282.db2.gz OZZQURURLMHAFT-KBPBESRZSA-N 0 1 286.423 3.957 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N(C)Cc2cnc(C)cn2)c1 ZINC000505790012 1127960766 /nfs/dbraw/zinc/96/07/66/1127960766.db2.gz JVSQJLBMTDZEJL-OAHLLOKOSA-N 0 1 269.392 3.595 20 0 CHADMN CCC[C@H](N[C@H](CO)c1ccccc1OC)c1ccccc1 ZINC000540190409 1127967315 /nfs/dbraw/zinc/96/73/15/1127967315.db2.gz UEOGYQUPWTXCEY-ZWKOTPCHSA-N 0 1 299.414 3.860 20 0 CHADMN CO[C@@H]1CN([C@H](C)c2cccc(Cl)c2F)CC[C@@H]1C ZINC000467297851 1127964164 /nfs/dbraw/zinc/96/41/64/1127964164.db2.gz KPDMRCJXPONRRY-MISXGVKJSA-N 0 1 285.790 3.897 20 0 CHADMN Cc1cc(COC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)c(C)s1 ZINC000741021438 1127968181 /nfs/dbraw/zinc/96/81/81/1127968181.db2.gz DZTHCTOCVMSONO-WZRBSPASSA-N 0 1 295.448 3.669 20 0 CHADMN CC(C)C[C@H]1COCCN1Cc1cccc(OC(C)C)c1 ZINC000506240383 1127974131 /nfs/dbraw/zinc/97/41/31/1127974131.db2.gz MFNZPOOHSHYYKV-KRWDZBQOSA-N 0 1 291.435 3.721 20 0 CHADMN COc1cc(CN[C@@H](c2ccc(C)o2)C2CCC2)ccn1 ZINC000544578897 1127977093 /nfs/dbraw/zinc/97/70/93/1127977093.db2.gz IDEWEYDWECCEBF-QGZVFWFLSA-N 0 1 286.375 3.623 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cc(C)sc1C)c1ccn(C)n1 ZINC000544580358 1127977655 /nfs/dbraw/zinc/97/76/55/1127977655.db2.gz ROSBANJSHPXXFR-SMDDNHRTSA-N 0 1 277.437 3.900 20 0 CHADMN CCC[C@H](C)CN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000540506355 1127981560 /nfs/dbraw/zinc/98/15/60/1127981560.db2.gz DTDRKUDWMPZCIH-XJKSGUPXSA-N 0 1 265.372 3.635 20 0 CHADMN CO[C@H](c1ccccc1F)[C@@H](C)NCc1ccc(Cl)o1 ZINC000540686807 1127990335 /nfs/dbraw/zinc/99/03/35/1127990335.db2.gz ARLWOQTUMMNQER-BMIGLBTASA-N 0 1 297.757 3.938 20 0 CHADMN CC(C)OCCCN1CCc2c(F)cc(F)cc2[C@H]1C ZINC000468112330 1127992530 /nfs/dbraw/zinc/99/25/30/1127992530.db2.gz CAXWUOPBGWMVPD-GFCCVEGCSA-N 0 1 283.362 3.699 20 0 CHADMN CC[C@@]1(C)CCN([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000468108679 1127992736 /nfs/dbraw/zinc/99/27/36/1127992736.db2.gz FYJNGFUBHZGCJI-GUYCJALGSA-N 0 1 285.391 3.920 20 0 CHADMN CC(C)OCCCN1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000468112331 1127993249 /nfs/dbraw/zinc/99/32/49/1127993249.db2.gz CAXWUOPBGWMVPD-LBPRGKRZSA-N 0 1 283.362 3.699 20 0 CHADMN COCC1(N[C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000540750264 1127993562 /nfs/dbraw/zinc/99/35/62/1127993562.db2.gz BVTMPUGNCOSWIJ-MRVPVSSYSA-N 0 1 292.181 3.962 20 0 CHADMN CC[C@]1(C)CCN(Cc2nc(-c3cccc(C)c3)no2)C1 ZINC000468145410 1127994681 /nfs/dbraw/zinc/99/46/81/1127994681.db2.gz MOMOGDJUGHSTEC-QGZVFWFLSA-N 0 1 285.391 3.667 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(O)cc2C(F)(F)F)nc1 ZINC001205080251 1128002757 /nfs/dbraw/zinc/00/27/57/1128002757.db2.gz QDBIRHHZXBVPES-UHFFFAOYSA-N 0 1 296.292 3.535 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2C[C@H](C)C[C@H]2C)s1 ZINC000545394754 1128013229 /nfs/dbraw/zinc/01/32/29/1128013229.db2.gz GYYBJBLMWHHZHF-HTQZYQBOSA-N 0 1 278.343 3.701 20 0 CHADMN Cc1ccc(NC(=O)CN2C[C@H](C)CC(C)(C)C2)c(C)c1 ZINC000541325135 1128018233 /nfs/dbraw/zinc/01/82/33/1128018233.db2.gz OPKFSRNESMLRGJ-CQSZACIVSA-N 0 1 288.435 3.610 20 0 CHADMN C[C@@H]1CN(Cc2ccn(C3CCCC3)n2)CC(C)(C)C1 ZINC000541323475 1128018338 /nfs/dbraw/zinc/01/83/38/1128018338.db2.gz DHMHDCQWNLXOCW-AWEZNQCLSA-N 0 1 275.440 3.866 20 0 CHADMN COc1ncccc1CN(C)[C@H]1CCCc2ccccc21 ZINC000516614300 1128023760 /nfs/dbraw/zinc/02/37/60/1128023760.db2.gz HJOCDMSRIGEBPS-KRWDZBQOSA-N 0 1 282.387 3.600 20 0 CHADMN Cc1cccc([C@H]2CCN(Cc3nc(C(C)(C)C)no3)C2)c1 ZINC000541393170 1128021940 /nfs/dbraw/zinc/02/19/40/1128021940.db2.gz NARMBSCCLCQQIP-HNNXBMFYSA-N 0 1 299.418 3.665 20 0 CHADMN CC(C)c1noc(CN[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1 ZINC000541611049 1128031132 /nfs/dbraw/zinc/03/11/32/1128031132.db2.gz FGZZXBHVUQRAHN-HZSPNIEDSA-N 0 1 279.428 3.743 20 0 CHADMN CC[C@H](Cc1ccccc1)N(CC)CC(=O)c1cccn1C ZINC000469121656 1128035600 /nfs/dbraw/zinc/03/56/00/1128035600.db2.gz WPCMDPFRYHJHMO-QGZVFWFLSA-N 0 1 298.430 3.551 20 0 CHADMN CC(C)c1nc([C@@H](C)NC(=O)[C@@H](C)CCC(C)(C)C)n[nH]1 ZINC000541722925 1128034888 /nfs/dbraw/zinc/03/48/88/1128034888.db2.gz REYAXKWHURIACU-NWDGAFQWSA-N 0 1 294.443 3.568 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(CCC(F)(F)F)[C@H]2C ZINC000541949553 1128044916 /nfs/dbraw/zinc/04/49/16/1128044916.db2.gz WDBIRJYYAXJDKM-MNOVXSKESA-N 0 1 287.325 3.955 20 0 CHADMN CC(C)CCN(CCC(C)C)C(=O)C(C)(C)c1c[nH]cn1 ZINC000469514681 1128045542 /nfs/dbraw/zinc/04/55/42/1128045542.db2.gz ACCMKPPXZHSUDH-UHFFFAOYSA-N 0 1 293.455 3.608 20 0 CHADMN Cc1ccccc1[C@H](CO)NCc1ccccc1OC(C)C ZINC000541984874 1128046424 /nfs/dbraw/zinc/04/64/24/1128046424.db2.gz YZISQZWCISJXPK-SFHVURJKSA-N 0 1 299.414 3.605 20 0 CHADMN COc1cccc2c1CC[N@H+]([C@H](C)c1cccc(F)c1)C2 ZINC000542014165 1128047770 /nfs/dbraw/zinc/04/77/70/1128047770.db2.gz ZKOUPHULRGSSFW-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN COc1cccc2c1CCN([C@H](C)c1cccc(F)c1)C2 ZINC000542014165 1128047773 /nfs/dbraw/zinc/04/77/73/1128047773.db2.gz ZKOUPHULRGSSFW-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN CCOc1cccc(CN2CCc3c(cccc3OC)C2)c1 ZINC000542172638 1128054808 /nfs/dbraw/zinc/05/48/08/1128054808.db2.gz IXYHRMPWIPXYKY-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN CCCCO[C@@H]1C[C@@H](N(C)Cc2ccc(F)cn2)C1(C)C ZINC000469716323 1128050795 /nfs/dbraw/zinc/05/07/95/1128050795.db2.gz HOLJCAYJGVJGOA-HZPDHXFCSA-N 0 1 294.414 3.636 20 0 CHADMN Fc1ccc([C@H]2CCCCN2CCOCC(F)F)cc1 ZINC000469727236 1128051125 /nfs/dbraw/zinc/05/11/25/1128051125.db2.gz DYYHIHOCOFMDGZ-CQSZACIVSA-N 0 1 287.325 3.634 20 0 CHADMN CO[C@@H]1[C@H](C)[C@@H](N[C@@H](C)c2csc(C(C)C)n2)C1(C)C ZINC000469783073 1128053361 /nfs/dbraw/zinc/05/33/61/1128053361.db2.gz JEVLWMIOJFWMCY-ZMJPVWNMSA-N 0 1 296.480 3.977 20 0 CHADMN CC[C@@H]1CN(C[C@@H](OC)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000669929821 1128059648 /nfs/dbraw/zinc/05/96/48/1128059648.db2.gz KDTGFVPAQCLZPA-APHBMKBZSA-N 0 1 297.826 3.527 20 0 CHADMN CC[C@@H]1CN(C[C@H](OC)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000669929823 1128059827 /nfs/dbraw/zinc/05/98/27/1128059827.db2.gz KDTGFVPAQCLZPA-MAZHCROVSA-N 0 1 297.826 3.527 20 0 CHADMN Cc1csc(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)n1 ZINC000542322184 1128063543 /nfs/dbraw/zinc/06/35/43/1128063543.db2.gz HVHCAUFFHXYEDD-HNNXBMFYSA-N 0 1 272.417 3.749 20 0 CHADMN [O-]c1cccc(C[NH+]2CCc3ccccc3CC2)c1Cl ZINC000328186729 1128065414 /nfs/dbraw/zinc/06/54/14/1128065414.db2.gz BXLVNANNXDHIMP-UHFFFAOYSA-N 0 1 287.790 3.646 20 0 CHADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)CC1CCCCC1 ZINC000470322324 1128068168 /nfs/dbraw/zinc/06/81/68/1128068168.db2.gz IOGITEADAHDAPO-UHFFFAOYSA-N 0 1 291.439 3.636 20 0 CHADMN CC(C)c1nc(CN(C)[C@@H]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001257099869 1128070257 /nfs/dbraw/zinc/07/02/57/1128070257.db2.gz UPGLRXMIJHBMMR-DABQJJPHSA-N 0 1 282.453 3.654 20 0 CHADMN CCc1ccc(NC(=O)CN[C@@H](C)c2ccsc2)cc1 ZINC000669939404 1128077635 /nfs/dbraw/zinc/07/76/35/1128077635.db2.gz WBYMSBBTTMVQTC-LBPRGKRZSA-N 0 1 288.416 3.600 20 0 CHADMN Cc1nc(C)c(CN(C)Cc2ccc(C)cc2)s1 ZINC000172731937 1128075076 /nfs/dbraw/zinc/07/50/76/1128075076.db2.gz HMSXUYCHRKYLNI-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN CC(C)CCC[C@H](C)NC(=O)CN[C@@H](C)c1ccsc1 ZINC000669937121 1128075580 /nfs/dbraw/zinc/07/55/80/1128075580.db2.gz JZBQCHWADYNKDG-KBPBESRZSA-N 0 1 296.480 3.730 20 0 CHADMN [O-]c1cccc(C[NH2+]CC(C2CC2)C2CC2)c1Cl ZINC000328348457 1128079417 /nfs/dbraw/zinc/07/94/17/1128079417.db2.gz MNDTXLSCIZOWTQ-UHFFFAOYSA-N 0 1 265.784 3.571 20 0 CHADMN C[C@@H]1CN([C@H]2CCCc3ccc(F)cc32)C[C@@H](C2CC2)O1 ZINC000470921389 1128081106 /nfs/dbraw/zinc/08/11/06/1128081106.db2.gz BMOXLEPAPFWFTG-UUWFMWQGSA-N 0 1 289.394 3.702 20 0 CHADMN C[C@H](C1CCCCC1)[N@@H+](C)Cc1noc2c1CCCC2 ZINC000669944757 1128084681 /nfs/dbraw/zinc/08/46/81/1128084681.db2.gz FBJQMZLISKEZTA-CYBMUJFWSA-N 0 1 276.424 3.954 20 0 CHADMN Cc1cc(CN2CCCC2)c(OC(F)F)cc1C ZINC000174252930 1128099493 /nfs/dbraw/zinc/09/94/93/1128099493.db2.gz RRAOMZSEPROCTG-UHFFFAOYSA-N 0 1 255.308 3.501 20 0 CHADMN COc1ccnc([C@@H](C)NCc2cccc(Cl)c2)c1 ZINC000924529664 1128101776 /nfs/dbraw/zinc/10/17/76/1128101776.db2.gz RVVINFUISCTBIO-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN C[C@H](NCc1ccccc1F)c1ccc(C(C)(C)O)cc1 ZINC000924553033 1128104866 /nfs/dbraw/zinc/10/48/66/1128104866.db2.gz QJOYZCHMDKVDHM-ZDUSSCGKSA-N 0 1 287.378 3.904 20 0 CHADMN COc1ccnc([C@@H](C)N[C@@H](c2cccs2)C2CC2)c1 ZINC000924593703 1128106368 /nfs/dbraw/zinc/10/63/68/1128106368.db2.gz XYKBGHGXNXQXDD-BDJLRTHQSA-N 0 1 288.416 3.954 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2cnn(C3CCC3)c2)cc1 ZINC000924608880 1128106900 /nfs/dbraw/zinc/10/69/00/1128106900.db2.gz FFXQVEWRBYJZFX-AWEZNQCLSA-N 0 1 299.418 3.605 20 0 CHADMN CCOCc1ccccc1CN[C@@H](C)c1ccns1 ZINC000924601380 1128107010 /nfs/dbraw/zinc/10/70/10/1128107010.db2.gz DKLTWOLVJSVNBQ-LBPRGKRZSA-N 0 1 276.405 3.530 20 0 CHADMN Fc1cccc(CN[C@H]2CCc3c2nccc3Cl)c1 ZINC000924610024 1128107301 /nfs/dbraw/zinc/10/73/01/1128107301.db2.gz ORIUFRKZBCCVRY-AWEZNQCLSA-N 0 1 276.742 3.651 20 0 CHADMN Clc1ccnc2c1CCC[C@H]2NCc1ccsc1 ZINC000924665112 1128108780 /nfs/dbraw/zinc/10/87/80/1128108780.db2.gz ICQDPERBGWWHHP-CYBMUJFWSA-N 0 1 278.808 3.964 20 0 CHADMN CC(C)Oc1ccc([C@H](C)N[C@@H](C)c2ccnnc2)cc1 ZINC000924701908 1128111055 /nfs/dbraw/zinc/11/10/55/1128111055.db2.gz SPWUEQICOMOQHJ-KBPBESRZSA-N 0 1 285.391 3.676 20 0 CHADMN COc1cccc([C@H](C)N[C@H](C)c2cccc3c2OCO3)c1 ZINC000924722571 1128111248 /nfs/dbraw/zinc/11/12/48/1128111248.db2.gz GUPFMIYQBYBGQZ-QWHCGFSZSA-N 0 1 299.370 3.836 20 0 CHADMN Cc1nc(CNC2CC(Sc3ccccc3)C2)cs1 ZINC000924721503 1128111282 /nfs/dbraw/zinc/11/12/82/1128111282.db2.gz GUGVLTYMYIZQFC-UHFFFAOYSA-N 0 1 290.457 3.864 20 0 CHADMN Cc1c2ccccc2oc1[C@H](C)N[C@H](C)c1ccnnc1 ZINC000924773597 1128112085 /nfs/dbraw/zinc/11/20/85/1128112085.db2.gz PKADEXWGKQGODA-OLZOCXBDSA-N 0 1 281.359 3.943 20 0 CHADMN CC(C)c1ccc([C@@H]2CCCN2CN2CCCC2=O)cc1 ZINC000152267480 1128112601 /nfs/dbraw/zinc/11/26/01/1128112601.db2.gz UZZBFCGWIXBZMQ-KRWDZBQOSA-N 0 1 286.419 3.527 20 0 CHADMN COc1ccnc([C@H](C)NCc2c(C)cc(C)cc2C)c1 ZINC000924857690 1128115123 /nfs/dbraw/zinc/11/51/23/1128115123.db2.gz GPXOKTZXYMMHSV-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN Cc1cccc2c1[C@H](NCc1cn3c(cccc3C)n1)CC2 ZINC000925017789 1128119568 /nfs/dbraw/zinc/11/95/68/1128119568.db2.gz AJEQOXZDBJMCAI-QGZVFWFLSA-N 0 1 291.398 3.728 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@@H](C)c2cc(O)cc(F)c2)cn1 ZINC000925048265 1128120099 /nfs/dbraw/zinc/12/00/99/1128120099.db2.gz BMMBVBWOYWMLKE-RYUDHWBXSA-N 0 1 291.370 3.721 20 0 CHADMN Cc1ccccc1[C@@H](N[C@H](C)c1cn(C)cn1)C(C)C ZINC000925046159 1128120145 /nfs/dbraw/zinc/12/01/45/1128120145.db2.gz TWKNCTCWPHFLLI-PBHICJAKSA-N 0 1 271.408 3.776 20 0 CHADMN Cc1oc2ccccc2c1[C@@H](C)N[C@@H](C)c1cnn(C)c1 ZINC000925133735 1128122938 /nfs/dbraw/zinc/12/29/38/1128122938.db2.gz YJFZZWAQLNRWMR-NWDGAFQWSA-N 0 1 283.375 3.887 20 0 CHADMN c1[nH]nnc1S[C@H](Cc1ccccc1)c1ccccc1 ZINC000176763892 1128124061 /nfs/dbraw/zinc/12/40/61/1128124061.db2.gz KQEVXCOMFMFXPY-OAHLLOKOSA-N 0 1 281.384 3.881 20 0 CHADMN COc1cc([C@H](C)NC[C@H](C)Sc2ccccc2)on1 ZINC000925164885 1128124593 /nfs/dbraw/zinc/12/45/93/1128124593.db2.gz XLQMDIMOHQDKCN-RYUDHWBXSA-N 0 1 292.404 3.515 20 0 CHADMN Cc1cccc([C@@H](NC[C@@]2(C)CCCO2)c2ccccn2)c1 ZINC000925250175 1128126898 /nfs/dbraw/zinc/12/68/98/1128126898.db2.gz SHOMSYKYRYRXNN-RTBURBONSA-N 0 1 296.414 3.638 20 0 CHADMN C[C@H](NCc1ccc(F)cc1)c1ccnn1-c1ccccc1 ZINC000467303804 1128127390 /nfs/dbraw/zinc/12/73/90/1128127390.db2.gz GFNQFTKLFMUCOJ-AWEZNQCLSA-N 0 1 295.361 3.862 20 0 CHADMN C[C@@H](NCC(C)(C)Cc1ccccc1)c1ncco1 ZINC000925426289 1128129435 /nfs/dbraw/zinc/12/94/35/1128129435.db2.gz MWQXKIZTBUFRBG-CYBMUJFWSA-N 0 1 258.365 3.594 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2N[C@@H]1CCCC(F)(F)C1 ZINC000925565051 1128132513 /nfs/dbraw/zinc/13/25/13/1128132513.db2.gz XSRLBICILYKLSN-GHMZBOCLSA-N 0 1 270.323 3.528 20 0 CHADMN COc1cc(C)cc(CN[C@H](C)c2ccnn2C2CCC2)c1 ZINC000925603087 1128133513 /nfs/dbraw/zinc/13/35/13/1128133513.db2.gz HFIZCHKLILIESU-CQSZACIVSA-N 0 1 299.418 3.776 20 0 CHADMN CS[C@@H](C)CN[C@H](c1cccc(C)c1)c1ccccn1 ZINC000925602899 1128133524 /nfs/dbraw/zinc/13/35/24/1128133524.db2.gz YOOUJCHQTUQNIM-WMLDXEAASA-N 0 1 286.444 3.821 20 0 CHADMN C[C@H](CSC(C)(C)C)Nc1cnn(-c2ccncc2)c1 ZINC000777567110 1128133761 /nfs/dbraw/zinc/13/37/61/1128133761.db2.gz DGGHJVSIDQJPLI-GFCCVEGCSA-N 0 1 290.436 3.599 20 0 CHADMN COc1cc(C)cc(CN[C@@H](C)c2cc(O)cc(F)c2)c1 ZINC000925603822 1128133996 /nfs/dbraw/zinc/13/39/96/1128133996.db2.gz RXWJEPWGDLOYLB-LBPRGKRZSA-N 0 1 289.350 3.699 20 0 CHADMN CCCN(CC)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000493246860 1128137446 /nfs/dbraw/zinc/13/74/46/1128137446.db2.gz JLZCTJMTEPJPNJ-UHFFFAOYSA-N 0 1 283.419 3.593 20 0 CHADMN COC[C@H](N[C@@H](C)c1ccnn1C1CCC1)c1ccccc1 ZINC000925406213 1128143097 /nfs/dbraw/zinc/14/30/97/1128143097.db2.gz CMDBGWVDZUIFMJ-YOEHRIQHSA-N 0 1 299.418 3.646 20 0 CHADMN C[C@H]1C[C@H](N[C@H]2c3ccccc3CCC[C@H]2C)c2ncnn21 ZINC000926178581 1128158720 /nfs/dbraw/zinc/15/87/20/1128158720.db2.gz QNILRDZAAKSQPM-OSRSDYAFSA-N 0 1 296.418 3.587 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccsc1)c1cc2ccccc2[nH]1 ZINC000926200551 1128159771 /nfs/dbraw/zinc/15/97/71/1128159771.db2.gz UIWUTVFOKMQGOU-ZBEGNZNMSA-N 0 1 286.400 3.614 20 0 CHADMN CCOC[C@H](C)NCc1csc(-c2ccc(C)cc2)n1 ZINC000494213597 1128159818 /nfs/dbraw/zinc/15/98/18/1128159818.db2.gz UUSNCSQZDPOUQX-ZDUSSCGKSA-N 0 1 290.432 3.633 20 0 CHADMN CCOC(C)(C)CN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000926231451 1128161746 /nfs/dbraw/zinc/16/17/46/1128161746.db2.gz FUOJDGPMMBDRJH-SFHVURJKSA-N 0 1 298.430 3.884 20 0 CHADMN C[C@@H](N[C@H](C)c1ccnnc1)c1cc2ccccc2o1 ZINC000926245147 1128163481 /nfs/dbraw/zinc/16/34/81/1128163481.db2.gz RXVPNBPBCTVQTJ-VXGBXAGGSA-N 0 1 267.332 3.635 20 0 CHADMN Cc1nonc1[C@H](C)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000926334996 1128167372 /nfs/dbraw/zinc/16/73/72/1128167372.db2.gz WMOCTFDISNRQBN-VZJVUDMVSA-N 0 1 289.354 3.504 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)[C@@H](C)c1cnccn1 ZINC000494274543 1128168135 /nfs/dbraw/zinc/16/81/35/1128168135.db2.gz QXHGIHNGOXJDSL-GOFCXVBSSA-N 0 1 267.376 3.573 20 0 CHADMN CSc1ccc([C@@H](C)N[C@H](C)c2ccnnc2)cc1 ZINC000926354334 1128168451 /nfs/dbraw/zinc/16/84/51/1128168451.db2.gz SHXWJFRPKBTAKM-VXGBXAGGSA-N 0 1 273.405 3.610 20 0 CHADMN Cc1cc(CN[C@H](C)c2c(C)oc3ccccc32)n(C)n1 ZINC000926377336 1128170070 /nfs/dbraw/zinc/17/00/70/1128170070.db2.gz OYOYEZFLIQJEGL-GFCCVEGCSA-N 0 1 283.375 3.634 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccsc1)c1cccc(OC)n1 ZINC000926368513 1128170267 /nfs/dbraw/zinc/17/02/67/1128170267.db2.gz DBCOHFIFNCOBKJ-DGCLKSJQSA-N 0 1 276.405 3.954 20 0 CHADMN C[C@H](N[C@@H](C)C1(Cl)CC1)c1nccn1-c1ccccc1 ZINC000926427829 1128171561 /nfs/dbraw/zinc/17/15/61/1128171561.db2.gz LOTOGAWCTMGFSZ-STQMWFEESA-N 0 1 289.810 3.683 20 0 CHADMN C[C@@H](NC[C@@H](c1ccccc1)C1CC1)c1ncco1 ZINC000926478334 1128174054 /nfs/dbraw/zinc/17/40/54/1128174054.db2.gz KAOJBHKGIKBKLS-DOMZBBRYSA-N 0 1 256.349 3.519 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(OC(F)(F)F)cc1)c1cn[nH]c1 ZINC000222462375 1128177278 /nfs/dbraw/zinc/17/72/78/1128177278.db2.gz RPZQLTPKGOVWTF-UWVGGRQHSA-N 0 1 299.296 3.720 20 0 CHADMN C[C@@H](N[C@@H]1CCSc2ccc(Cl)cc21)c1cn[nH]c1 ZINC000222506146 1128178461 /nfs/dbraw/zinc/17/84/61/1128178461.db2.gz PXFFICIYHUUROM-NOZJJQNGSA-N 0 1 293.823 3.951 20 0 CHADMN COC(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccc(C)cc2)o1 ZINC000223624117 1128180534 /nfs/dbraw/zinc/18/05/34/1128180534.db2.gz GJEHWUYTMCFRCO-QWHCGFSZSA-N 0 1 287.359 3.786 20 0 CHADMN Cc1cccc([C@@H](C)N[C@@H](C)c2cn3c(n2)CCCC3)c1 ZINC000926555318 1128180916 /nfs/dbraw/zinc/18/09/16/1128180916.db2.gz MSBNHKAZVFZJTD-CABCVRRESA-N 0 1 283.419 3.940 20 0 CHADMN C[C@@H](NCc1cnccc1C(C)(C)C)c1ccns1 ZINC000926581494 1128181844 /nfs/dbraw/zinc/18/18/44/1128181844.db2.gz PJWKDHRXQDYDJB-LLVKDONJSA-N 0 1 275.421 3.686 20 0 CHADMN Cc1ccc([C@H](N[C@@H]2CC23CC3)c2ccccn2)cc1 ZINC000926613729 1128183897 /nfs/dbraw/zinc/18/38/97/1128183897.db2.gz DXGKKHCWMDNPDZ-SJORKVTESA-N 0 1 264.372 3.622 20 0 CHADMN Clc1ccc([C@@H](N[C@H]2CC23CC3)c2ccccn2)cc1 ZINC000926616058 1128184141 /nfs/dbraw/zinc/18/41/41/1128184141.db2.gz RBPPHLBQASHIEC-JKSUJKDBSA-N 0 1 284.790 3.967 20 0 CHADMN CCc1ccc([C@H](N[C@@H]2CO[C@H](C)C2)c2cccnc2)cc1 ZINC000926639053 1128185207 /nfs/dbraw/zinc/18/52/07/1128185207.db2.gz NOZQRDHZKGLEOR-CCKFTAQKSA-N 0 1 296.414 3.500 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCC[C@@H](OCC2CC2)C1 ZINC000494706723 1128185713 /nfs/dbraw/zinc/18/57/13/1128185713.db2.gz GGNIKBIAWBDGNN-IUODEOHRSA-N 0 1 295.373 3.917 20 0 CHADMN C[C@H](N[C@H](CO)CCF)c1cc(Cl)cc(Cl)c1F ZINC000926654027 1128186219 /nfs/dbraw/zinc/18/62/19/1128186219.db2.gz ATKMOXMNYIJCGC-CBAPKCEASA-N 0 1 298.160 3.504 20 0 CHADMN CO[C@@H](CN[C@H]1CCCc2oc(C)nc21)C1CCCCC1 ZINC000926728789 1128190612 /nfs/dbraw/zinc/19/06/12/1128190612.db2.gz SKRYFLUEUSPVFF-HOCLYGCPSA-N 0 1 292.423 3.545 20 0 CHADMN COc1ccccc1[C@@H](NCC1CC(C)C1)c1ccccn1 ZINC000926736158 1128191125 /nfs/dbraw/zinc/19/11/25/1128191125.db2.gz DDQPGQVAZYWMRQ-JFIBYHEFSA-N 0 1 296.414 3.815 20 0 CHADMN C[C@H](c1ccccc1Cl)N1CCc2cc[nH]c(=O)c2C1 ZINC000494108846 1128156993 /nfs/dbraw/zinc/15/69/93/1128156993.db2.gz PVYXKRDKHVMQNY-LLVKDONJSA-N 0 1 288.778 3.560 20 0 CHADMN CC[C@]1(O)CCN([C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000495226929 1128246998 /nfs/dbraw/zinc/24/69/98/1128246998.db2.gz VWKIHSZFJHBYIT-HZMBPMFUSA-N 0 1 288.218 3.901 20 0 CHADMN CCCC[C@@H](COC)Nc1ccc(CN(C)C)c(F)c1 ZINC000777700158 1128247034 /nfs/dbraw/zinc/24/70/34/1128247034.db2.gz JSDOZLGYKFMOSU-HNNXBMFYSA-N 0 1 282.403 3.504 20 0 CHADMN CC[C@]1(O)CCN([C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000495227598 1128247428 /nfs/dbraw/zinc/24/74/28/1128247428.db2.gz YAUSERGVTSARKQ-YGRLFVJLSA-N 0 1 288.218 3.901 20 0 CHADMN CCc1ncc(CN2CCC[C@H]2c2ccccc2)o1 ZINC000929106509 1128257801 /nfs/dbraw/zinc/25/78/01/1128257801.db2.gz IJMQRBUBMBFFFM-HNNXBMFYSA-N 0 1 256.349 3.574 20 0 CHADMN COc1cc(CN[C@H](C)c2ccco2)ccc1OC(C)C ZINC000035137004 1128261095 /nfs/dbraw/zinc/26/10/95/1128261095.db2.gz SDBUVYGKINCDSA-CYBMUJFWSA-N 0 1 289.375 3.926 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccc(Cl)cc2)c(C)nn1 ZINC000929172704 1128261900 /nfs/dbraw/zinc/26/19/00/1128261900.db2.gz SHZUJLHVLLAGNI-ZDUSSCGKSA-N 0 1 289.810 3.940 20 0 CHADMN Cc1cc([C@H]2CCCN2CCc2cccc(F)c2)no1 ZINC000929184559 1128262585 /nfs/dbraw/zinc/26/25/85/1128262585.db2.gz BVSMPOMUESGBRD-MRXNPFEDSA-N 0 1 274.339 3.502 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCCC(C)(F)F)no1 ZINC000929184838 1128262681 /nfs/dbraw/zinc/26/26/81/1128262681.db2.gz DXKALDRPYPVTRW-LBPRGKRZSA-N 0 1 258.312 3.555 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cncs2)cc1C ZINC000926904146 1128201926 /nfs/dbraw/zinc/20/19/26/1128201926.db2.gz VARVQXLXQBGBPS-RYUDHWBXSA-N 0 1 276.405 3.872 20 0 CHADMN FC(F)(F)[C@H](Nc1ccc2nc[nH]c2c1)c1ccccn1 ZINC001168486048 1128265894 /nfs/dbraw/zinc/26/58/94/1128265894.db2.gz KEHBRTCWVSDIHK-CYBMUJFWSA-N 0 1 292.264 3.673 20 0 CHADMN C[C@@H]1C[C@H](N[C@H](c2nccs2)c2ccccc2)[C@@H]1C ZINC000494921230 1128212207 /nfs/dbraw/zinc/21/22/07/1128212207.db2.gz UZBPZEGAPJZDNT-UXOAXIEHSA-N 0 1 272.417 3.867 20 0 CHADMN CC[C@@H](NCc1cc(C2CC2)nn1C)c1ccsc1 ZINC000927101600 1128217210 /nfs/dbraw/zinc/21/72/10/1128217210.db2.gz TXKWWPWMXCIBFD-CQSZACIVSA-N 0 1 275.421 3.600 20 0 CHADMN CC[C@H]1CO[C@H](C)CN1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929270539 1128266506 /nfs/dbraw/zinc/26/65/06/1128266506.db2.gz OSMCJGDROYARKY-SLBVQIDZSA-N 0 1 295.373 3.535 20 0 CHADMN CC[C@@H](NCc1cc(C2CC2)n(C)n1)c1cccc(C)c1 ZINC000927107165 1128218604 /nfs/dbraw/zinc/21/86/04/1128218604.db2.gz HOPPHNIQMTYTQV-QGZVFWFLSA-N 0 1 283.419 3.847 20 0 CHADMN CCC[C@H](NCc1cc(C2CC2)n(C)n1)c1ccccc1 ZINC000927114344 1128219091 /nfs/dbraw/zinc/21/90/91/1128219091.db2.gz TWUXTZLECAIEKF-KRWDZBQOSA-N 0 1 283.419 3.929 20 0 CHADMN CCc1onc(C)c1CN[C@@H](c1ccccc1)C1CC1 ZINC000927137768 1128221292 /nfs/dbraw/zinc/22/12/92/1128221292.db2.gz BJUQAKUHWMSTPZ-KRWDZBQOSA-N 0 1 270.376 3.786 20 0 CHADMN CCOc1ccccc1C[N@@H+](C)C/C=C\c1ccncc1 ZINC000495060349 1128226519 /nfs/dbraw/zinc/22/65/19/1128226519.db2.gz RAUXIYRWDQUYOK-SREVYHEPSA-N 0 1 282.387 3.626 20 0 CHADMN CCOc1ccccc1CN(C)C/C=C\c1ccncc1 ZINC000495060349 1128226522 /nfs/dbraw/zinc/22/65/22/1128226522.db2.gz RAUXIYRWDQUYOK-SREVYHEPSA-N 0 1 282.387 3.626 20 0 CHADMN CCOc1ccc(CN(C)Cc2cccs2)cc1F ZINC000495069713 1128228133 /nfs/dbraw/zinc/22/81/33/1128228133.db2.gz MYQIZMYFXVOFBU-UHFFFAOYSA-N 0 1 279.380 3.918 20 0 CHADMN O=C(OCCC1CCCCCC1)[C@H]1CCCc2[nH]ncc21 ZINC000798875300 1128231077 /nfs/dbraw/zinc/23/10/77/1128231077.db2.gz GZNJCOFDYKNZFS-AWEZNQCLSA-N 0 1 290.407 3.733 20 0 CHADMN CCc1ccc(N(CC)C(=O)c2cccc3c[nH]nc32)cc1 ZINC000914759809 1128239322 /nfs/dbraw/zinc/23/93/22/1128239322.db2.gz XZKZRZCATYZIFB-UHFFFAOYSA-N 0 1 293.370 3.792 20 0 CHADMN CCN(C(=O)c1cccc2c[nH]nc21)c1ccc(Cl)cc1 ZINC000914761532 1128240850 /nfs/dbraw/zinc/24/08/50/1128240850.db2.gz XWWQREIXPFCPLW-UHFFFAOYSA-N 0 1 299.761 3.883 20 0 CHADMN CC(C)(C)SCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000762117944 1128269929 /nfs/dbraw/zinc/26/99/29/1128269929.db2.gz XVSXGFWUVFKUIE-UHFFFAOYSA-N 0 1 288.376 3.645 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccccc2C)c(C)nn1 ZINC000929326342 1128270467 /nfs/dbraw/zinc/27/04/67/1128270467.db2.gz RCTOAMUANQEHJP-OAHLLOKOSA-N 0 1 269.392 3.595 20 0 CHADMN C[C@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC(C)(C)O1 ZINC000929347672 1128270872 /nfs/dbraw/zinc/27/08/72/1128270872.db2.gz JKENCENPFFNDRF-NWANDNLSSA-N 0 1 295.373 3.535 20 0 CHADMN C[C@@H]1CN(CCCC(C)(F)F)C[C@H](c2ccccc2)O1 ZINC000929345775 1128271015 /nfs/dbraw/zinc/27/10/15/1128271015.db2.gz UHYJIQMQQNOQLA-UKRRQHHQSA-N 0 1 283.362 3.884 20 0 CHADMN Cc1cc(C)nc(C[N@H+](Cc2ccco2)C(C)C)c1 ZINC000929366614 1128272117 /nfs/dbraw/zinc/27/21/17/1128272117.db2.gz CIBLADVVZODYJW-UHFFFAOYSA-N 0 1 258.365 3.702 20 0 CHADMN Cc1cc(C)nc(CN(Cc2ccco2)C(C)C)c1 ZINC000929366614 1128272118 /nfs/dbraw/zinc/27/21/18/1128272118.db2.gz CIBLADVVZODYJW-UHFFFAOYSA-N 0 1 258.365 3.702 20 0 CHADMN CCCN(Cc1[nH]c(C)nc1C)Cc1ccc(F)cc1 ZINC000929382128 1128272177 /nfs/dbraw/zinc/27/21/77/1128272177.db2.gz VCFXRTUPTFKDPN-UHFFFAOYSA-N 0 1 275.371 3.578 20 0 CHADMN Cc1noc(C)c1CN(C)[C@H](C)c1ccc2c(c1)CCC2 ZINC000777798661 1128276591 /nfs/dbraw/zinc/27/65/91/1128276591.db2.gz LQLCTHPKHJAEGB-CYBMUJFWSA-N 0 1 284.403 3.973 20 0 CHADMN COC[C@@H]1CCCN(Cc2nc(C)c(C(C)(C)C)s2)C1 ZINC000929635096 1128280672 /nfs/dbraw/zinc/28/06/72/1128280672.db2.gz KBNFPJOZVQQGIH-CYBMUJFWSA-N 0 1 296.480 3.607 20 0 CHADMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(C)nnc1C ZINC000929648935 1128281013 /nfs/dbraw/zinc/28/10/13/1128281013.db2.gz AWWKJOWOIMFTPX-SFHVURJKSA-N 0 1 281.403 3.603 20 0 CHADMN Cc1nc(C)c(CN2C[C@@H](C)C[C@H]2c2cccc(F)c2)[nH]1 ZINC000929720919 1128283287 /nfs/dbraw/zinc/28/32/87/1128283287.db2.gz UGPPAELUHBGYCX-GTNSWQLSSA-N 0 1 287.382 3.749 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1Cc1coc(C(C)(C)C)n1 ZINC000929762589 1128285093 /nfs/dbraw/zinc/28/50/93/1128285093.db2.gz GHOLZTXFNXQECM-WCQYABFASA-N 0 1 250.386 3.593 20 0 CHADMN FC(F)(F)[C@@H]1CCC[C@H](CN2CC[C@H]2c2ccccc2)O1 ZINC000929789219 1128287178 /nfs/dbraw/zinc/28/71/78/1128287178.db2.gz QWFPMEMGHNNJAV-ILXRZTDVSA-N 0 1 299.336 3.933 20 0 CHADMN C[C@H]1CC/C(=C\C(=O)Nc2cccc(-c3cn[nH]c3)c2)C1 ZINC000762316640 1128290930 /nfs/dbraw/zinc/29/09/30/1128290930.db2.gz NEFRMGVFCIDSHM-OXBCTQFSSA-N 0 1 281.359 3.762 20 0 CHADMN CC(C)[C@H](C)N(C)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000929907558 1128293288 /nfs/dbraw/zinc/29/32/88/1128293288.db2.gz OIQMEXNLPHOWGU-VIFPVBQESA-N 0 1 295.333 3.617 20 0 CHADMN CC(F)(F)CCCN1CC=C(C(F)(F)F)CC1 ZINC000930100455 1128300190 /nfs/dbraw/zinc/30/01/90/1128300190.db2.gz WTLPFXONLWRYGT-UHFFFAOYSA-N 0 1 257.246 3.616 20 0 CHADMN COc1ccc(CN(Cc2ccncc2)C2CC2)cc1C ZINC000930112531 1128301321 /nfs/dbraw/zinc/30/13/21/1128301321.db2.gz WJJYLFVMSHEASK-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000930038365 1128298478 /nfs/dbraw/zinc/29/84/78/1128298478.db2.gz FIRBJHHCSWDJCQ-YOEHRIQHSA-N 0 1 299.393 3.858 20 0 CHADMN c1nc(-c2ccccc2)oc1CN1[C@H]2C=CC[C@@H]1CC2 ZINC000930077287 1128299536 /nfs/dbraw/zinc/29/95/36/1128299536.db2.gz PIOLSHCCOAVPBB-LSDHHAIUSA-N 0 1 266.344 3.635 20 0 CHADMN CC[C@@H](CSC)[N@@H+](C)Cc1cnc(-c2ccccc2)o1 ZINC000930178822 1128304202 /nfs/dbraw/zinc/30/42/02/1128304202.db2.gz BXWAKZPLTSGSRM-AWEZNQCLSA-N 0 1 290.432 3.915 20 0 CHADMN CC[C@@H](NCc1cc(C)cc(C)n1)c1ccccc1OC ZINC000930202617 1128306849 /nfs/dbraw/zinc/30/68/49/1128306849.db2.gz VFRREIHUTIMCJD-QGZVFWFLSA-N 0 1 284.403 3.948 20 0 CHADMN CCOc1ccccc1[C@H](CC)NCc1[nH]c(C)nc1C ZINC000930200352 1128306155 /nfs/dbraw/zinc/30/61/55/1128306155.db2.gz GSNYDIJAUAJNEU-HNNXBMFYSA-N 0 1 287.407 3.666 20 0 CHADMN CCOc1cccc([C@H](C)N[C@@H](C)c2snnc2C)c1 ZINC000930209350 1128307118 /nfs/dbraw/zinc/30/71/18/1128307118.db2.gz BAPLXZWHYYKBEH-QWRGUYRKSA-N 0 1 291.420 3.657 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@@H](C)c2snnc2C)c1 ZINC000930209349 1128307191 /nfs/dbraw/zinc/30/71/91/1128307191.db2.gz BAPLXZWHYYKBEH-MNOVXSKESA-N 0 1 291.420 3.657 20 0 CHADMN CC[C@@H](NCc1[nH]c(C)nc1C)c1ccc(F)cc1F ZINC000930223430 1128308429 /nfs/dbraw/zinc/30/84/29/1128308429.db2.gz WLAHUAPEPKYGOY-CQSZACIVSA-N 0 1 279.334 3.546 20 0 CHADMN C[C@H]1CCN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@H]1F ZINC000930245975 1128310023 /nfs/dbraw/zinc/31/00/23/1128310023.db2.gz XIGCCJWPLHMBIJ-ZGKBOVNRSA-N 0 1 283.337 3.715 20 0 CHADMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)C3CCC3)n2)cc1 ZINC000008115514 1128310437 /nfs/dbraw/zinc/31/04/37/1128310437.db2.gz DPDHFDTWCYAGKV-UHFFFAOYSA-N 0 1 298.390 3.508 20 0 CHADMN CC(C)C[C@H](C)CC(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000754873596 1128313514 /nfs/dbraw/zinc/31/35/14/1128313514.db2.gz VRAUDZJYWZRSKI-ZDUSSCGKSA-N 0 1 294.414 3.898 20 0 CHADMN Cc1cc(C)nc(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000930368850 1128316037 /nfs/dbraw/zinc/31/60/37/1128316037.db2.gz WYZWZGIBPQJXIL-UONOGXRCSA-N 0 1 299.245 3.714 20 0 CHADMN CC[C@H](c1cccc(OC)c1)N(C)Cc1[nH]c(C)nc1C ZINC000930497310 1128321916 /nfs/dbraw/zinc/32/19/16/1128321916.db2.gz YPRQWEVBKSQQIL-QGZVFWFLSA-N 0 1 287.407 3.618 20 0 CHADMN O=C(C=C1CCCCC1)Nc1cccc(Cl)c1O ZINC000762804138 1128318628 /nfs/dbraw/zinc/31/86/28/1128318628.db2.gz FYSNVMWTCOOACI-UHFFFAOYSA-N 0 1 265.740 3.875 20 0 CHADMN Cc1ccccc1CN(CCOC1CC1)Cc1ccccn1 ZINC000930615242 1128328155 /nfs/dbraw/zinc/32/81/55/1128328155.db2.gz OTKVSDBSCAJOCG-UHFFFAOYSA-N 0 1 296.414 3.571 20 0 CHADMN CCc1onc(C)c1CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000930751006 1128333378 /nfs/dbraw/zinc/33/33/78/1128333378.db2.gz WMOGGWIMZDNMNB-NSHDSACASA-N 0 1 290.329 3.710 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(F)c(F)c(OC)c2)C1 ZINC001235451165 1128333644 /nfs/dbraw/zinc/33/36/44/1128333644.db2.gz MZWORDUYAARJII-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CCc1onc(C)c1CNC1(c2ccccc2C)CC1 ZINC000930813578 1128336997 /nfs/dbraw/zinc/33/69/97/1128336997.db2.gz AIWYSSSVBMHOSV-UHFFFAOYSA-N 0 1 270.376 3.633 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CCC([C@H]2CCCCO2)CC1 ZINC000931025757 1128343638 /nfs/dbraw/zinc/34/36/38/1128343638.db2.gz LBAHJTLWBWOBDT-XJKSGUPXSA-N 0 1 292.398 3.563 20 0 CHADMN C[C@@H](C(=O)NOC1CCCCC1)c1ccc(Cl)s1 ZINC000777965397 1128351711 /nfs/dbraw/zinc/35/17/11/1128351711.db2.gz UBSQPXRZFNBQMW-SECBINFHSA-N 0 1 287.812 3.886 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(C)nc1F ZINC001203520295 1128352790 /nfs/dbraw/zinc/35/27/90/1128352790.db2.gz PMXWSRCUYIOYIZ-UHFFFAOYSA-N 0 1 283.306 3.830 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000074667337 1128355509 /nfs/dbraw/zinc/35/55/09/1128355509.db2.gz WDSSPDJJCFOVKA-UHFFFAOYSA-N 0 1 293.326 3.763 20 0 CHADMN Clc1cccc2c1CCN(CCOc1ccccc1)C2 ZINC000074448651 1128355808 /nfs/dbraw/zinc/35/58/08/1128355808.db2.gz FTIZMBWBPRLGHP-UHFFFAOYSA-N 0 1 287.790 3.777 20 0 CHADMN CCCN(Cc1ccc(C)cc1)Cc1cnccc1OC ZINC000561850193 1128356465 /nfs/dbraw/zinc/35/64/65/1128356465.db2.gz PRIGVXAJCANMCO-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN CCN(Cc1nc2ccccc2n1C(F)F)C(C)C ZINC000194095500 1128362530 /nfs/dbraw/zinc/36/25/30/1128362530.db2.gz VESVXFUMTGENRV-UHFFFAOYSA-N 0 1 267.323 3.662 20 0 CHADMN CCCc1csc(C[N@H+]2[C@@H](C)CC[C@@H]2CC)n1 ZINC000561982355 1128368314 /nfs/dbraw/zinc/36/83/14/1128368314.db2.gz MTEZSTSCENOBTP-AAEUAGOBSA-N 0 1 252.427 3.859 20 0 CHADMN Cc1ccc([C@@H]2COCCN2C[C@@H](C)C(C)(C)C)o1 ZINC000670264514 1128376616 /nfs/dbraw/zinc/37/66/16/1128376616.db2.gz PNTSIVMINWTPRY-OCCSQVGLSA-N 0 1 265.397 3.644 20 0 CHADMN Cc1nc(CN2CC[C@H](CF)C2)sc1C(C)(C)C ZINC000931689492 1128376716 /nfs/dbraw/zinc/37/67/16/1128376716.db2.gz YLAIKRJHVWPMGU-LLVKDONJSA-N 0 1 270.417 3.540 20 0 CHADMN CC(C)C(N)=NOCc1ccc(Cl)c(Cl)c1 ZINC000763206219 1128376911 /nfs/dbraw/zinc/37/69/11/1128376911.db2.gz UEFWNAIJSGBOPV-UHFFFAOYSA-N 0 1 261.152 3.648 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(C)ccn2)cc1C ZINC000932570293 1128416019 /nfs/dbraw/zinc/41/60/19/1128416019.db2.gz KWFHJQRYYHITJJ-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CC/C=C\CCN1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931795059 1128382144 /nfs/dbraw/zinc/38/21/44/1128382144.db2.gz FVCCLFCHDZSXFX-DDKKJVIOSA-N 0 1 281.403 3.714 20 0 CHADMN Fc1cccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c1F ZINC000562206424 1128386700 /nfs/dbraw/zinc/38/67/00/1128386700.db2.gz CFFOOMRQTRIBFR-OAHLLOKOSA-N 0 1 263.331 3.729 20 0 CHADMN Fc1cccc(CN2CC3(CCC3)[C@H]2C2CC2)c1F ZINC000562206424 1128386705 /nfs/dbraw/zinc/38/67/05/1128386705.db2.gz CFFOOMRQTRIBFR-OAHLLOKOSA-N 0 1 263.331 3.729 20 0 CHADMN C[C@H](c1ccncc1)[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931914086 1128387169 /nfs/dbraw/zinc/38/71/69/1128387169.db2.gz JELNQRHVIBKIHF-PWSUYJOCSA-N 0 1 288.288 3.509 20 0 CHADMN Cc1nc([C@@H]2CCN([C@@H](C)c3cccc(Cl)c3)C2)no1 ZINC000931945307 1128389045 /nfs/dbraw/zinc/38/90/45/1128389045.db2.gz ZJUAAFOSWGVAHR-GXFFZTMASA-N 0 1 291.782 3.582 20 0 CHADMN C[C@H](NCc1ccc2cnn(C)c2c1)c1ccccc1F ZINC000562266592 1128391440 /nfs/dbraw/zinc/39/14/40/1128391440.db2.gz OPOBQXQYTKANLI-LBPRGKRZSA-N 0 1 283.350 3.563 20 0 CHADMN FC(F)(F)Oc1ccc(-c2[nH]ccc3ncnc2-3)cc1 ZINC001235930882 1128397476 /nfs/dbraw/zinc/39/74/76/1128397476.db2.gz FQTATRZWGXHDBQ-UHFFFAOYSA-N 0 1 279.221 3.524 20 0 CHADMN FC(F)(F)Oc1ccc(-c2nccc3[nH]cnc32)cc1 ZINC001235930882 1128397480 /nfs/dbraw/zinc/39/74/80/1128397480.db2.gz FQTATRZWGXHDBQ-UHFFFAOYSA-N 0 1 279.221 3.524 20 0 CHADMN CC(C)(C)OC[C@@H]1CCCN1Cc1cccnc1Cl ZINC000932168997 1128398279 /nfs/dbraw/zinc/39/82/79/1128398279.db2.gz XYAOLNASEJGZMJ-ZDUSSCGKSA-N 0 1 282.815 3.515 20 0 CHADMN Cl/C=C/CN1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932193160 1128400123 /nfs/dbraw/zinc/40/01/23/1128400123.db2.gz DELBYXUZNLLWPZ-KTROKBFUSA-N 0 1 282.840 3.564 20 0 CHADMN C[C@@H](c1ccccc1)N1CCN(Cc2ccccc2F)CC1 ZINC000916369105 1128417587 /nfs/dbraw/zinc/41/75/87/1128417587.db2.gz OOOULHVMXWRFDC-INIZCTEOSA-N 0 1 298.405 3.705 20 0 CHADMN Cc1nsc(C)c1CN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000562442147 1128403444 /nfs/dbraw/zinc/40/34/44/1128403444.db2.gz KMEVXRZECNFWRZ-BZNIZROVSA-N 0 1 272.417 3.953 20 0 CHADMN C[C@H](c1cccc(Cl)c1)N1CCO[C@@H](C)CC1 ZINC000932344768 1128405214 /nfs/dbraw/zinc/40/52/14/1128405214.db2.gz CWXROCRHQKUOED-NWDGAFQWSA-N 0 1 253.773 3.512 20 0 CHADMN COC(C)(C)[C@@H](C)NCc1ncc(-c2ccccc2C)o1 ZINC000932368182 1128406623 /nfs/dbraw/zinc/40/66/23/1128406623.db2.gz DPVMPNRJGUMXTN-CYBMUJFWSA-N 0 1 288.391 3.553 20 0 CHADMN COc1ccc(CN2Cc3ccccc3[C@@H](C)C2)cc1F ZINC000916151160 1128409700 /nfs/dbraw/zinc/40/97/00/1128409700.db2.gz ASPPLZMYZPPFKE-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN CC(C)CN(Cc1ccc(Cl)nc1)Cc1ccccn1 ZINC000932441655 1128410303 /nfs/dbraw/zinc/41/03/03/1128410303.db2.gz AMOFFTUUOYCZIR-UHFFFAOYSA-N 0 1 289.810 3.788 20 0 CHADMN Cc1cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)ccc1F ZINC000562576510 1128411657 /nfs/dbraw/zinc/41/16/57/1128411657.db2.gz JGSWUGQNENAXPH-LLVKDONJSA-N 0 1 257.299 3.611 20 0 CHADMN Cc1cc(CN2CCC(F)(F)[C@H](C)C2)ccc1F ZINC000562576510 1128411661 /nfs/dbraw/zinc/41/16/61/1128411661.db2.gz JGSWUGQNENAXPH-LLVKDONJSA-N 0 1 257.299 3.611 20 0 CHADMN CCc1nnc(SCc2cccc(OC(C)(C)C)c2)[nH]1 ZINC000916515554 1128422603 /nfs/dbraw/zinc/42/26/03/1128422603.db2.gz RUTGCXAEUAGHSQ-UHFFFAOYSA-N 0 1 291.420 3.837 20 0 CHADMN CCc1n[nH]c(SCc2cccc(OC(C)(C)C)c2)n1 ZINC000916515554 1128422605 /nfs/dbraw/zinc/42/26/05/1128422605.db2.gz RUTGCXAEUAGHSQ-UHFFFAOYSA-N 0 1 291.420 3.837 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(F)cc2)c(F)c1 ZINC000037211096 1128422610 /nfs/dbraw/zinc/42/26/10/1128422610.db2.gz RJKVRGSVEFCSMB-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccc(C)c2)c(F)c1 ZINC000037230804 1128424908 /nfs/dbraw/zinc/42/49/08/1128424908.db2.gz NYSJPSNKTAVLKC-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN CC[C@@H]1CCCC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000328472696 1128432438 /nfs/dbraw/zinc/43/24/38/1128432438.db2.gz NFODNVDCZVYLPK-GFCCVEGCSA-N 0 1 253.773 3.810 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1Cc1cccc([O-])c1Cl ZINC000328472696 1128432440 /nfs/dbraw/zinc/43/24/40/1128432440.db2.gz NFODNVDCZVYLPK-GFCCVEGCSA-N 0 1 253.773 3.810 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)C[C@H](O)c2ccco2)c(C)s1 ZINC000763413578 1128433955 /nfs/dbraw/zinc/43/39/55/1128433955.db2.gz SEHJXTRPHGVQEC-KWBADKCTSA-N 0 1 294.420 3.516 20 0 CHADMN CN[C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000038078462 1128438032 /nfs/dbraw/zinc/43/80/32/1128438032.db2.gz BAAOLFWLFHMOJS-OAHLLOKOSA-N 0 1 261.752 3.657 20 0 CHADMN CC[C@@H]1CCCCN1Cc1csc(-c2ccccn2)n1 ZINC000124156065 1128442200 /nfs/dbraw/zinc/44/22/00/1128442200.db2.gz JAXRUALWZVTVNX-CQSZACIVSA-N 0 1 287.432 3.970 20 0 CHADMN Cc1cc(C)c(NC(=O)CN(C)CCC(C)(C)C)c(C)c1 ZINC000124671461 1128445668 /nfs/dbraw/zinc/44/56/68/1128445668.db2.gz HGKMVTSOCGOWBM-UHFFFAOYSA-N 0 1 290.451 3.918 20 0 CHADMN CN(Cc1coc(-c2cccs2)n1)C(C)(C)C ZINC000563081716 1128449212 /nfs/dbraw/zinc/44/92/12/1128449212.db2.gz QHYWGSLORJWJKM-UHFFFAOYSA-N 0 1 250.367 3.633 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1sccc1Br ZINC000125703754 1128451749 /nfs/dbraw/zinc/45/17/49/1128451749.db2.gz HCMIACFZWPDKGW-DTWKUNHWSA-N 0 1 274.227 3.741 20 0 CHADMN CC[C@@H](C(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000065006330 1128455379 /nfs/dbraw/zinc/45/53/79/1128455379.db2.gz HOOIUGORTJQIHQ-CQSZACIVSA-N 0 1 279.343 3.695 20 0 CHADMN Cc1cccnc1[C@H](NC/C=C/Cl)C(C)(C)C ZINC000934291400 1128456706 /nfs/dbraw/zinc/45/67/06/1128456706.db2.gz LPXDYVDRNNOXKB-CFNZNRNTSA-N 0 1 252.789 3.819 20 0 CHADMN Clc1ccc(CN2CC[C@@H](Cc3nccs3)C2)s1 ZINC000934333491 1128458713 /nfs/dbraw/zinc/45/87/13/1128458713.db2.gz PDDJMKUWYANETJ-JTQLQIEISA-N 0 1 298.864 3.923 20 0 CHADMN Cc1oncc1CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000126195440 1128461909 /nfs/dbraw/zinc/46/19/09/1128461909.db2.gz KQGBSDDWLLAJQY-BQYQJAHWSA-N 0 1 298.371 3.564 20 0 CHADMN Cc1ccccc1[C@H](C)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000126492578 1128464183 /nfs/dbraw/zinc/46/41/83/1128464183.db2.gz SMSPFIYRIQQBTE-KXBFYZLASA-N 0 1 297.398 3.835 20 0 CHADMN COc1cc([C@@H](C)NCc2conc2C)cc2ccccc21 ZINC000934629337 1128465091 /nfs/dbraw/zinc/46/50/91/1128465091.db2.gz DIJOXFUWMWVJHN-GFCCVEGCSA-N 0 1 296.370 3.996 20 0 CHADMN CC(C)(C)c1nnc(CNC2(C3CCCCC3)CC2)o1 ZINC000934788315 1128469176 /nfs/dbraw/zinc/46/91/76/1128469176.db2.gz NRGBCRPCXIOSAI-UHFFFAOYSA-N 0 1 277.412 3.570 20 0 CHADMN CCc1cccc(Cn2c(C)nc3c2CCCC3)c1 ZINC000563821387 1128480640 /nfs/dbraw/zinc/48/06/40/1128480640.db2.gz ICBXMQVPJKUIGE-UHFFFAOYSA-N 0 1 254.377 3.681 20 0 CHADMN CC(C)N1CCC[C@@H]1c1nc(-c2ccc(F)c(F)c2)no1 ZINC000924008022 1128477567 /nfs/dbraw/zinc/47/75/67/1128477567.db2.gz MBRWRWAKALDDEZ-CYBMUJFWSA-N 0 1 293.317 3.560 20 0 CHADMN C[C@@H](c1ccncc1)N(C)Cc1cc(F)cc2cccnc21 ZINC000127476640 1128478426 /nfs/dbraw/zinc/47/84/26/1128478426.db2.gz DZQHABGGFVHLQO-ZDUSSCGKSA-N 0 1 295.361 3.962 20 0 CHADMN C/C=C\c1ccc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000497408156 1128490048 /nfs/dbraw/zinc/49/00/48/1128490048.db2.gz WPFFKYZHCCCSSL-RXNFCKPNSA-N 0 1 298.390 3.504 20 0 CHADMN C/C=C/c1ccc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000497408154 1128490293 /nfs/dbraw/zinc/49/02/93/1128490293.db2.gz WPFFKYZHCCCSSL-ITKZLYELSA-N 0 1 298.390 3.504 20 0 CHADMN Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000567087443 1128557726 /nfs/dbraw/zinc/55/77/26/1128557726.db2.gz WGQSHQYSBKYZFL-CZUORRHYSA-N 0 1 289.810 3.853 20 0 CHADMN CCCCc1nc(CN(CC)CC2CC2)cs1 ZINC000070015535 1128557861 /nfs/dbraw/zinc/55/78/61/1128557861.db2.gz KGQCOHZYQNYUKU-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN O=C(C[C@@H]1CC=CCC1)Nc1cc(Cl)c(O)cc1F ZINC000935973402 1128506821 /nfs/dbraw/zinc/50/68/21/1128506821.db2.gz VUKFYBCJAPGUEW-SECBINFHSA-N 0 1 283.730 3.870 20 0 CHADMN CN(Cc1cc(C(C)(C)C)on1)CC1CCCCC1 ZINC000564612774 1128512477 /nfs/dbraw/zinc/51/24/77/1128512477.db2.gz AHDXKKNXCGSWED-UHFFFAOYSA-N 0 1 264.413 3.984 20 0 CHADMN CCc1ccc(CN[C@H]2c3ccccc3O[C@H]2C)cc1 ZINC000564680244 1128513983 /nfs/dbraw/zinc/51/39/83/1128513983.db2.gz TWAVLBXKCUSSLJ-SCLBCKFNSA-N 0 1 267.372 3.861 20 0 CHADMN CN(Cc1n[nH]c(C(C)(C)C)n1)[C@@H]1CCCc2ccccc21 ZINC000564770996 1128515797 /nfs/dbraw/zinc/51/57/97/1128515797.db2.gz CCVVDVRBKNXHPP-OAHLLOKOSA-N 0 1 298.434 3.612 20 0 CHADMN CCN(Cc1cncn1C(C)C)Cc1ccc(C)cc1 ZINC000564879534 1128517108 /nfs/dbraw/zinc/51/71/08/1128517108.db2.gz CIKDYHGKVHCYRW-UHFFFAOYSA-N 0 1 271.408 3.795 20 0 CHADMN CC1(C)CN(Cc2ccccc2OC(F)F)[C@H]1C1CC1 ZINC000565140884 1128520764 /nfs/dbraw/zinc/52/07/64/1128520764.db2.gz AQHVOWUGALDCDN-AWEZNQCLSA-N 0 1 281.346 3.908 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cccc(C2CC2)c1 ZINC000565188899 1128521565 /nfs/dbraw/zinc/52/15/65/1128521565.db2.gz DDLGIDYBFHFXLB-UHFFFAOYSA-N 0 1 291.301 3.785 20 0 CHADMN Cc1oncc1CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000129000836 1128525601 /nfs/dbraw/zinc/52/56/01/1128525601.db2.gz UYPJUIKOIXKTSY-QGZVFWFLSA-N 0 1 268.360 3.635 20 0 CHADMN C[C@H](NCc1ccccc1N(C)C)c1ccnn1C1CCC1 ZINC000925446545 1128531254 /nfs/dbraw/zinc/53/12/54/1128531254.db2.gz WNZCOEFDSVMMMH-AWEZNQCLSA-N 0 1 298.434 3.525 20 0 CHADMN COc1ccc(CNCc2coc3ccccc23)c(F)c1 ZINC000565734593 1128532369 /nfs/dbraw/zinc/53/23/69/1128532369.db2.gz YRMFVHILMDQGIU-UHFFFAOYSA-N 0 1 285.318 3.870 20 0 CHADMN Cc1ccccc1CN(Cc1cnn(C(C)C)c1)C1CC1 ZINC000565790365 1128532766 /nfs/dbraw/zinc/53/27/66/1128532766.db2.gz PZOMSHMGAVYMJB-UHFFFAOYSA-N 0 1 283.419 3.937 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2cccc3ccccc32)n1 ZINC000041123722 1128536674 /nfs/dbraw/zinc/53/66/74/1128536674.db2.gz WGJIBIOWRHBRBZ-CQSZACIVSA-N 0 1 267.332 3.546 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CC[C@@H](c2cccnc2)C1 ZINC000566177986 1128540052 /nfs/dbraw/zinc/54/00/52/1128540052.db2.gz VOWZOEFUIXGIQR-GXTWGEPZSA-N 0 1 288.341 3.910 20 0 CHADMN C[C@H]1C[N@H+](Cc2c(Cl)cccc2C(=O)[O-])CC[C@@H]1C ZINC000566360403 1128542889 /nfs/dbraw/zinc/54/28/89/1128542889.db2.gz YFNXCGQLJQVTCW-QWRGUYRKSA-N 0 1 281.783 3.516 20 0 CHADMN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC000566368812 1128543491 /nfs/dbraw/zinc/54/34/91/1128543491.db2.gz RZIPDVZVQVEDTL-SQNIBIBYSA-N 0 1 299.414 3.639 20 0 CHADMN COC1(CCSc2nc(-c3ccccc3)n[nH]2)CCC1 ZINC000567510248 1128546735 /nfs/dbraw/zinc/54/67/35/1128546735.db2.gz WSHDJZGCAKNSKD-UHFFFAOYSA-N 0 1 289.404 3.523 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1cc(C(C)(C)C)on1 ZINC000566589995 1128547041 /nfs/dbraw/zinc/54/70/41/1128547041.db2.gz QPANYRULOAUOPC-WCQYABFASA-N 0 1 250.386 3.735 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)CCOC1CCC1 ZINC000566637381 1128548419 /nfs/dbraw/zinc/54/84/19/1128548419.db2.gz HPNSQSNNDGVSNO-GFCCVEGCSA-N 0 1 267.800 3.902 20 0 CHADMN CC(C)(C)[C@@H]1CCC[C@H]1N[C@H](c1nc[nH]n1)c1ccccc1 ZINC000566725047 1128550619 /nfs/dbraw/zinc/55/06/19/1128550619.db2.gz KSCNMYAWHCUXHC-OAGGEKHMSA-N 0 1 298.434 3.699 20 0 CHADMN CCCC[C@@H](C)N(C)CC(=O)Nc1ccc(C)cc1F ZINC000567402290 1128563910 /nfs/dbraw/zinc/56/39/10/1128563910.db2.gz HIBDUXHKIRYHSI-CYBMUJFWSA-N 0 1 280.387 3.583 20 0 CHADMN C[C@@H]1CN(Cc2ccc3c(n2)CCC3)[C@H]1c1ccccc1 ZINC000567447715 1128564478 /nfs/dbraw/zinc/56/44/78/1128564478.db2.gz FHQJOUZZDHLATN-AUUYWEPGSA-N 0 1 278.399 3.763 20 0 CHADMN CC(C)CC[C@H]1CCC[C@H]1NCc1nnc(C2CC2)o1 ZINC000567666189 1128569237 /nfs/dbraw/zinc/56/92/37/1128569237.db2.gz JBZQXBRPQVADGE-TZMCWYRMSA-N 0 1 277.412 3.642 20 0 CHADMN CCCN(Cc1ncc(Cl)n1C)CC1CCCCC1 ZINC000918741727 1128570397 /nfs/dbraw/zinc/57/03/97/1128570397.db2.gz PFKNEUGPFFGKGI-UHFFFAOYSA-N 0 1 283.847 3.866 20 0 CHADMN CC(C)Oc1cccc(CN[C@@H](C)c2ccco2)c1 ZINC000042277074 1128571162 /nfs/dbraw/zinc/57/11/62/1128571162.db2.gz BGBPQRYYEYVKJB-ZDUSSCGKSA-N 0 1 259.349 3.918 20 0 CHADMN CC(C)CC[C@H]1CCCN1C(=O)c1c(O)cccc1F ZINC000130224112 1128573941 /nfs/dbraw/zinc/57/39/41/1128573941.db2.gz FNANQRQUXZMRDO-GFCCVEGCSA-N 0 1 279.355 3.572 20 0 CHADMN CN(Cc1csc2ccccc12)Cc1ccncc1 ZINC000130282455 1128576663 /nfs/dbraw/zinc/57/66/63/1128576663.db2.gz BBZAZZCPRSDDLQ-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H](c3ccncc3)C2)cs1 ZINC000568175888 1128579462 /nfs/dbraw/zinc/57/94/62/1128579462.db2.gz KPHAADGKIWSFMA-CQSZACIVSA-N 0 1 287.432 3.651 20 0 CHADMN Fc1ccccc1C1(NCc2ccc3c(c2)COC3)CC1 ZINC000763431444 1128580770 /nfs/dbraw/zinc/58/07/70/1128580770.db2.gz CLUMHBGNDHBIBU-UHFFFAOYSA-N 0 1 283.346 3.635 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(Cl)cccc1C(=O)[O-] ZINC000568291091 1128581705 /nfs/dbraw/zinc/58/17/05/1128581705.db2.gz ZDIBKFUGAPFMQS-YOGCLGLASA-N 0 1 293.794 3.801 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2csc3ccccc23)n1 ZINC000042892858 1128589122 /nfs/dbraw/zinc/58/91/22/1128589122.db2.gz UAQRBBCYEKDQPL-GFCCVEGCSA-N 0 1 273.361 3.607 20 0 CHADMN CC/C=C/CC[N@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000568648550 1128589370 /nfs/dbraw/zinc/58/93/70/1128589370.db2.gz HLMCYPHNFCFTHN-WNEUIUNWSA-N 0 1 279.424 3.698 20 0 CHADMN CCCN(C(=O)c1cc(CC)[nH]n1)[C@@H]1CCc2ccccc21 ZINC000498841215 1128615175 /nfs/dbraw/zinc/61/51/75/1128615175.db2.gz MDSMTKAHXRBNLW-QGZVFWFLSA-N 0 1 297.402 3.512 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2cc(C)sc2C)n[nH]1 ZINC000568945492 1128595083 /nfs/dbraw/zinc/59/50/83/1128595083.db2.gz PCKKPXJNGWUVGN-GXSJLCMTSA-N 0 1 292.452 3.847 20 0 CHADMN C[C@H]1CC[N@H+](Cc2ncccc2[O-])CC12CCCCC2 ZINC000569052225 1128597379 /nfs/dbraw/zinc/59/73/79/1128597379.db2.gz HVGNBROLAJMEFQ-AWEZNQCLSA-N 0 1 274.408 3.580 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ncccc2[O-])CC12CCCCC2 ZINC000569052225 1128597385 /nfs/dbraw/zinc/59/73/85/1128597385.db2.gz HVGNBROLAJMEFQ-AWEZNQCLSA-N 0 1 274.408 3.580 20 0 CHADMN C[C@H](O)C[C@H]1CCCN1Cc1csc(C2CCCC2)n1 ZINC000152622497 1128605133 /nfs/dbraw/zinc/60/51/33/1128605133.db2.gz BUEZBLMTYSSUPQ-SWLSCSKDSA-N 0 1 294.464 3.536 20 0 CHADMN Fc1cccc(CN2CCC=C(c3ccccn3)C2)c1 ZINC000569658171 1128607019 /nfs/dbraw/zinc/60/70/19/1128607019.db2.gz GQSATFFLKJPAMI-UHFFFAOYSA-N 0 1 268.335 3.510 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCCC[C@H]2C2CCC2)[nH]1 ZINC000649196430 1128607223 /nfs/dbraw/zinc/60/72/23/1128607223.db2.gz MHYUUJHMFFLPOE-INIZCTEOSA-N 0 1 297.402 3.666 20 0 CHADMN CN(Cc1cc(C(C)(C)C)on1)C1CCC(F)(F)CC1 ZINC000569860390 1128610493 /nfs/dbraw/zinc/61/04/93/1128610493.db2.gz YIQWQUWBWOXQNW-UHFFFAOYSA-N 0 1 286.366 3.982 20 0 CHADMN Cc1ccc([C@H](NCc2cnc3n2CCCC3)C2CCC2)o1 ZINC000556611329 1128610514 /nfs/dbraw/zinc/61/05/14/1128610514.db2.gz ZYXHVKDPIRJDMH-GOSISDBHSA-N 0 1 299.418 3.752 20 0 CHADMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1c(Cl)cccc1C(=O)[O-] ZINC000569856928 1128610707 /nfs/dbraw/zinc/61/07/07/1128610707.db2.gz MGDKAZBDYVDFLF-GHMZBOCLSA-N 0 1 281.783 3.659 20 0 CHADMN Fc1cccnc1CNC1CC(c2ccccc2Cl)C1 ZINC000556833862 1128628478 /nfs/dbraw/zinc/62/84/78/1128628478.db2.gz MMXJQUXNUQOLNU-UHFFFAOYSA-N 0 1 290.769 3.910 20 0 CHADMN CC1=CC[C@@H](N[C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000556845876 1128629667 /nfs/dbraw/zinc/62/96/67/1128629667.db2.gz BERDQWWFJNPXBV-NWDGAFQWSA-N 0 1 263.385 3.517 20 0 CHADMN Cc1ccsc1CNCc1nc2ccccc2nc1C ZINC000638446906 1128630028 /nfs/dbraw/zinc/63/00/28/1128630028.db2.gz VVUQPSZBZXWSPD-UHFFFAOYSA-N 0 1 283.400 3.598 20 0 CHADMN C[C@H](Cc1ccsc1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000570717604 1128630669 /nfs/dbraw/zinc/63/06/69/1128630669.db2.gz HUGRIGATXMMALT-TZMCWYRMSA-N 0 1 275.421 3.629 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@H]2CCc3ccc(F)cc32)c1 ZINC000556859362 1128631672 /nfs/dbraw/zinc/63/16/72/1128631672.db2.gz YRBXPZKHNLVPMQ-WBMJQRKESA-N 0 1 270.351 3.867 20 0 CHADMN Cc1cc(-c2noc(C3=CCCCC3)n2)cc2nc[nH]c21 ZINC000570789978 1128631924 /nfs/dbraw/zinc/63/19/24/1128631924.db2.gz IAECDHYKTNZDOY-UHFFFAOYSA-N 0 1 280.331 3.879 20 0 CHADMN CC(C)[C@H](NC1CC(C(C)C)C1)c1nc(C2CC2)no1 ZINC000570795910 1128632237 /nfs/dbraw/zinc/63/22/37/1128632237.db2.gz SLYAJMNIANKAAY-RUXDESIVSA-N 0 1 277.412 3.668 20 0 CHADMN Brc1cccc2c1CN([C@@H]1CCCSC1)C2 ZINC001257676446 1128633510 /nfs/dbraw/zinc/63/35/10/1128633510.db2.gz KPYSUZDMVUTTMT-LLVKDONJSA-N 0 1 298.249 3.660 20 0 CHADMN CCCCO[C@H]1C[C@@H](NCc2ccn(C(C)C)n2)C1(C)C ZINC000570915268 1128634116 /nfs/dbraw/zinc/63/41/16/1128634116.db2.gz RCPWXHQCVUGTBR-CVEARBPZSA-N 0 1 293.455 3.537 20 0 CHADMN COc1cncc(C[N@H+]2CC[C@@](C)(c3ccc(C)cc3)C2)c1 ZINC000570882444 1128634199 /nfs/dbraw/zinc/63/41/99/1128634199.db2.gz RTWIEFOHDOXVDU-LJQANCHMSA-N 0 1 296.414 3.562 20 0 CHADMN CC1(C)CCC[N@@H+](CC[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000571649652 1128638093 /nfs/dbraw/zinc/63/80/93/1128638093.db2.gz SYZKGYCRBYNSCK-MRXNPFEDSA-N 0 1 289.419 3.757 20 0 CHADMN CC[N@@H+](Cc1ccccc1Cl)[C@@H](CC(C)C)C(=O)[O-] ZINC000571810361 1128639040 /nfs/dbraw/zinc/63/90/40/1128639040.db2.gz CMYWSUAYLXLRHO-AWEZNQCLSA-N 0 1 283.799 3.661 20 0 CHADMN Cn1ccnc1[C@H](N[C@H]1CC(C)(C)c2ccccc21)C1CC1 ZINC000556911877 1128642284 /nfs/dbraw/zinc/64/22/84/1128642284.db2.gz JUGNXZUQUIBXCH-DLBZAZTESA-N 0 1 295.430 3.883 20 0 CHADMN CCCN(CC)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000499085541 1128645205 /nfs/dbraw/zinc/64/52/05/1128645205.db2.gz VHMPAXAXNHIBIJ-UHFFFAOYSA-N 0 1 291.782 3.602 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CCN1Cc1cncc(F)c1 ZINC000572909477 1128649553 /nfs/dbraw/zinc/64/95/53/1128649553.db2.gz USSHVKYOEOKRHR-PBHICJAKSA-N 0 1 284.378 3.989 20 0 CHADMN COCc1ccccc1/C=C(\C)CN1CCC[C@@H]1CF ZINC000556950545 1128650342 /nfs/dbraw/zinc/65/03/42/1128650342.db2.gz CQJRMZMCTZKNLZ-IDKBZEPQSA-N 0 1 277.383 3.670 20 0 CHADMN CC[C@H]1CCC[N@@H+](CC[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000573379500 1128653640 /nfs/dbraw/zinc/65/36/40/1128653640.db2.gz KAYUJWVSXDXFTN-RDJZCZTQSA-N 0 1 289.419 3.757 20 0 CHADMN C/C(=C/c1ccccc1)CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000556967766 1128653651 /nfs/dbraw/zinc/65/36/51/1128653651.db2.gz QJQXQZDHQXEHED-SZADQMHOSA-N 0 1 283.415 3.733 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccccc2)[C@H](CC)C1 ZINC000573379831 1128653740 /nfs/dbraw/zinc/65/37/40/1128653740.db2.gz SVGPBGMMLOFBPM-HYVNUMGLSA-N 0 1 289.419 3.755 20 0 CHADMN COc1ccc2ccccc2c1CN[C@@H]1CCC[C@@H]1F ZINC000573392736 1128654147 /nfs/dbraw/zinc/65/41/47/1128654147.db2.gz PDMONCVNCFVPSO-JKSUJKDBSA-N 0 1 273.351 3.829 20 0 CHADMN CC(C)N(Cc1cc(C(C)(C)C)on1)C1CCC1 ZINC000573607419 1128656287 /nfs/dbraw/zinc/65/62/87/1128656287.db2.gz PTZRQNPRXAAYBI-UHFFFAOYSA-N 0 1 250.386 3.735 20 0 CHADMN CCCOc1ccc(CN2CC3(CCC3(F)F)C2)cc1 ZINC000574007333 1128660489 /nfs/dbraw/zinc/66/04/89/1128660489.db2.gz FSTIRYCLLCFSIK-UHFFFAOYSA-N 0 1 281.346 3.707 20 0 CHADMN CC[C@H]1CCCC[C@@H]1N(C)Cc1ncc(COC)s1 ZINC000574121912 1128661940 /nfs/dbraw/zinc/66/19/40/1128661940.db2.gz XDKKMVLOXRXRKR-JSGCOSHPSA-N 0 1 282.453 3.690 20 0 CHADMN CC(C)C[C@H](C)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000557047753 1128663787 /nfs/dbraw/zinc/66/37/87/1128663787.db2.gz DVVAXJCLDAKWJV-XJKSGUPXSA-N 0 1 265.372 3.634 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N2CCCCCCC2)o1 ZINC000047221071 1128667980 /nfs/dbraw/zinc/66/79/80/1128667980.db2.gz SBUYZQMRDTXCNH-UHFFFAOYSA-N 0 1 292.423 3.528 20 0 CHADMN Cc1cccc(NCCCCC(=O)OCc2ccccc2)n1 ZINC000158425150 1128668145 /nfs/dbraw/zinc/66/81/45/1128668145.db2.gz OTFLCVKHZOHGPM-UHFFFAOYSA-N 0 1 298.386 3.716 20 0 CHADMN Cc1ncncc1[C@H](C)NCc1ccc(C(F)F)cc1 ZINC000577865922 1128695251 /nfs/dbraw/zinc/69/52/51/1128695251.db2.gz SHBRAOOXAOTONA-JTQLQIEISA-N 0 1 277.318 3.573 20 0 CHADMN Cc1cc(C[N@H+](C)[C@@H](C)c2ccc(C(=O)[O-])o2)ccc1F ZINC000577878410 1128695868 /nfs/dbraw/zinc/69/58/68/1128695868.db2.gz HVPMIOURFXBSIE-NSHDSACASA-N 0 1 291.322 3.618 20 0 CHADMN Cn1ccnc1[C@H](NC1CC(C(C)(C)C)C1)c1ccccc1 ZINC000577824885 1128691005 /nfs/dbraw/zinc/69/10/05/1128691005.db2.gz ZFRGWYUHQSIAAE-OFLPRAFFSA-N 0 1 297.446 3.924 20 0 CHADMN Cc1nc(C)c(CNC(C)(C)c2cccc(C)c2)o1 ZINC000683898985 1128708067 /nfs/dbraw/zinc/70/80/67/1128708067.db2.gz BCPLBIXNPJIEPA-UHFFFAOYSA-N 0 1 258.365 3.625 20 0 CHADMN CCc1ccc(CN(C)[C@@H](C)c2ccc(F)cc2)nc1 ZINC000578146284 1128709513 /nfs/dbraw/zinc/70/95/13/1128709513.db2.gz JQEONNCISPYYTC-ZDUSSCGKSA-N 0 1 272.367 3.976 20 0 CHADMN Clc1cccc(CNCc2nccc3c2CCCC3)c1 ZINC000921471968 1128710061 /nfs/dbraw/zinc/71/00/61/1128710061.db2.gz SVNHVEAWHZZTKF-UHFFFAOYSA-N 0 1 286.806 3.904 20 0 CHADMN Cc1cnc(Cl)c(CN[C@H](C)c2ccccc2)c1 ZINC000921476921 1128710344 /nfs/dbraw/zinc/71/03/44/1128710344.db2.gz RPUPLPZHRRARCQ-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN CC(C)C[C@@H](C)C[C@H](C)NCc1ncc(Cl)cn1 ZINC001258056497 1128714822 /nfs/dbraw/zinc/71/48/22/1128714822.db2.gz PVPJPUZMHLNBEW-NEPJUHHUSA-N 0 1 269.820 3.680 20 0 CHADMN C=CCNC(=S)Nc1cc(Cl)ccc1SC ZINC000064371862 1128714913 /nfs/dbraw/zinc/71/49/13/1128714913.db2.gz KVKIJUJXXDRLKD-UHFFFAOYSA-N 0 1 272.826 3.534 20 0 CHADMN CC[C@@H](Cc1nc(C2(N)CCCC2)no1)c1ccc(C)cc1 ZINC000578442449 1128717897 /nfs/dbraw/zinc/71/78/97/1128717897.db2.gz QZOSGHSYDSLDFZ-AWEZNQCLSA-N 0 1 299.418 3.842 20 0 CHADMN CCC[C@H](C(=O)OCC)N1CCC(c2ccccc2)CC1 ZINC000609635366 1128721163 /nfs/dbraw/zinc/72/11/63/1128721163.db2.gz OLYACTZEDRJKSK-QGZVFWFLSA-N 0 1 289.419 3.598 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2F)[C@@H](C)O)c(C)s1 ZINC000578514220 1128720265 /nfs/dbraw/zinc/72/02/65/1128720265.db2.gz GIDXOELPTNFOOD-BDJLRTHQSA-N 0 1 293.407 3.716 20 0 CHADMN CCN(Cc1ccc(Cl)nc1Cl)CC1CC1 ZINC000233460327 1128723950 /nfs/dbraw/zinc/72/39/50/1128723950.db2.gz ZZGCTZWXKJKBBC-UHFFFAOYSA-N 0 1 259.180 3.620 20 0 CHADMN C[C@H]1CCCCN1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000078967954 1128724816 /nfs/dbraw/zinc/72/48/16/1128724816.db2.gz SDPHKUAJXGTVSI-NSHDSACASA-N 0 1 291.782 3.764 20 0 CHADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000578660688 1128725541 /nfs/dbraw/zinc/72/55/41/1128725541.db2.gz QZNOCSVSDXDDCQ-MZMPZRCHSA-N 0 1 287.403 3.633 20 0 CHADMN FCC1(NCc2cnc(C3CCCC3)s2)CCC1 ZINC000578650932 1128725513 /nfs/dbraw/zinc/72/55/13/1128725513.db2.gz SMTQGYRKVVLRFO-UHFFFAOYSA-N 0 1 268.401 3.783 20 0 CHADMN CO[C@H](C)CN(C)Cc1cnc(C2CCCCC2)s1 ZINC000578819502 1128730311 /nfs/dbraw/zinc/73/03/11/1128730311.db2.gz SEEGUHOXXLYTQI-GFCCVEGCSA-N 0 1 282.453 3.658 20 0 CHADMN CCS[C@H]1CC[C@@H](N(C)Cc2cnc(Cl)s2)C1 ZINC000175457820 1128730570 /nfs/dbraw/zinc/73/05/70/1128730570.db2.gz NABDWLMLIGTJHB-ZJUUUORDSA-N 0 1 290.885 3.903 20 0 CHADMN c1ccc(CN(Cc2ccc3ncccc3c2)C2CC2)nc1 ZINC000274499780 1117746307 /nfs/dbraw/zinc/74/63/07/1117746307.db2.gz RKSAYJWQGBIEFR-UHFFFAOYSA-N 0 1 289.382 3.794 20 0 CHADMN COc1cccc(CN[C@H](C)c2cccc(C)c2C)n1 ZINC000178753930 1117752056 /nfs/dbraw/zinc/75/20/56/1117752056.db2.gz FTIJMNALICTLPM-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2cccc(Cl)c2)nc1 ZINC000683080054 1117753579 /nfs/dbraw/zinc/75/35/79/1117753579.db2.gz MHNFMXCDXCUEPN-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN CCN(CCO[C@@H]1CCCC[C@H]1C)Cc1ccoc1 ZINC000261409273 1117756750 /nfs/dbraw/zinc/75/67/50/1117756750.db2.gz OORCMANSEQCHNT-GDBMZVCRSA-N 0 1 265.397 3.697 20 0 CHADMN C[C@@H](NCc1ccc(O)cc1)c1ccc(F)cc1F ZINC000034993072 1117756882 /nfs/dbraw/zinc/75/68/82/1117756882.db2.gz NGQGHZHTGFZKKQ-SNVBAGLBSA-N 0 1 263.287 3.521 20 0 CHADMN CC[C@@H](NC[C@H](O)c1cc(C)cc(C)c1)c1nccs1 ZINC000185077353 1117759086 /nfs/dbraw/zinc/75/90/86/1117759086.db2.gz RYMXFKFMZTXOLT-CABCVRRESA-N 0 1 290.432 3.534 20 0 CHADMN C#CCN(Cc1ccc(CSC(F)F)o1)CC1CC1 ZINC000092099555 1117769402 /nfs/dbraw/zinc/76/94/02/1117769402.db2.gz VARXECOITNWTDO-UHFFFAOYSA-N 0 1 285.359 3.581 20 0 CHADMN CC(=O)[C@@H]1CCCN(Cc2cc(C)c(Cl)c(C)c2)C1 ZINC001238098294 1117776969 /nfs/dbraw/zinc/77/69/69/1117776969.db2.gz XMECOOMYMMVZCV-OAHLLOKOSA-N 0 1 279.811 3.758 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)CN(CCCCCF)CC3 ZINC000671242016 1117783330 /nfs/dbraw/zinc/78/33/30/1117783330.db2.gz FIGBLBCLSAGBQE-UHFFFAOYSA-N 0 1 274.383 3.974 20 0 CHADMN C[C@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CCC1(F)F ZINC000579766684 1117784419 /nfs/dbraw/zinc/78/44/19/1117784419.db2.gz CZLUMISFDMFKOL-IINYFYTJSA-N 0 1 269.310 3.790 20 0 CHADMN Cc1ccnc(CN2CCC(CC(F)(F)F)CC2)c1 ZINC000671253018 1117785325 /nfs/dbraw/zinc/78/53/25/1117785325.db2.gz QZSQZXDAWCJELI-UHFFFAOYSA-N 0 1 272.314 3.554 20 0 CHADMN CCc1noc(C)c1CNC/C=C\c1ccc(F)cc1F ZINC000339437805 1117787931 /nfs/dbraw/zinc/78/79/31/1117787931.db2.gz HGBXUYJQHYTHPS-PLNGDYQASA-N 0 1 292.329 3.627 20 0 CHADMN C[N@H+](Cc1cc(Cl)c([O-])cc1F)CC1CC(F)(F)C1 ZINC001238149102 1117793468 /nfs/dbraw/zinc/79/34/68/1117793468.db2.gz FVXZTJGOUMFGRH-UHFFFAOYSA-N 0 1 293.716 3.662 20 0 CHADMN Oc1cc(F)c(-c2ccc(-c3cccs3)nn2)cc1F ZINC001206761934 1117793700 /nfs/dbraw/zinc/79/37/00/1117793700.db2.gz PPDDNECYKQATMY-UHFFFAOYSA-N 0 1 290.294 3.856 20 0 CHADMN CCc1nn(C)cc1CN(C)C/C(C)=C/c1ccccc1 ZINC000683163428 1117818476 /nfs/dbraw/zinc/81/84/76/1117818476.db2.gz RUNDOLMWBVHHLW-RVDMUPIBSA-N 0 1 283.419 3.518 20 0 CHADMN C[C@H]1CCN(Cc2cscc2Cl)CCS1 ZINC000683164494 1117819609 /nfs/dbraw/zinc/81/96/09/1117819609.db2.gz GLUPJBMVDYKHKE-VIFPVBQESA-N 0 1 261.843 3.729 20 0 CHADMN C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2ccc(C3CC3)cc2)C1 ZINC000623207454 1117824169 /nfs/dbraw/zinc/82/41/69/1117824169.db2.gz UVCAYHRUZQRDJH-BZNIZROVSA-N 0 1 295.386 3.592 20 0 CHADMN c1[nH]nc2c1CN([C@@H]1CCCC[C@H](c3ccccc3)C1)CC2 ZINC000623238916 1117825358 /nfs/dbraw/zinc/82/53/58/1117825358.db2.gz XXMGVJHHHDYSTE-FUHWJXTLSA-N 0 1 295.430 3.884 20 0 CHADMN CC[C@@H]1CCN1Cc1ccc(C)cc1Br ZINC000430190226 1117826762 /nfs/dbraw/zinc/82/67/62/1117826762.db2.gz GZGYBTGSSCDUGF-GFCCVEGCSA-N 0 1 268.198 3.742 20 0 CHADMN CC(C)OCCCNCc1c(F)ccc(F)c1Cl ZINC000623338073 1117834507 /nfs/dbraw/zinc/83/45/07/1117834507.db2.gz JRMMASKHZMZRAI-UHFFFAOYSA-N 0 1 277.742 3.523 20 0 CHADMN CCOC(=O)CCCCN(C)[C@H](C)c1c(F)cccc1F ZINC000610080285 1128737707 /nfs/dbraw/zinc/73/77/07/1128737707.db2.gz PESFHTXVKNBOPD-GFCCVEGCSA-N 0 1 299.361 3.691 20 0 CHADMN Cc1cccc(CNCc2ccc(F)c(F)c2N(C)C)c1 ZINC000623346392 1117837069 /nfs/dbraw/zinc/83/70/69/1117837069.db2.gz PZUZPBDXUVRMRT-UHFFFAOYSA-N 0 1 290.357 3.629 20 0 CHADMN CCSc1ccc([C@H](C)NCc2ccnn2CC)cc1 ZINC000119062911 1117837459 /nfs/dbraw/zinc/83/74/59/1117837459.db2.gz KSBRMAOVXPOQCR-ZDUSSCGKSA-N 0 1 289.448 3.866 20 0 CHADMN Cc1ccc(CN[C@@H](C)[C@H](O)c2c(F)cccc2Cl)o1 ZINC000072923233 1117844741 /nfs/dbraw/zinc/84/47/41/1117844741.db2.gz NNBRQKJVONZVRA-BONVTDFDSA-N 0 1 297.757 3.592 20 0 CHADMN CCN(c1ccc(NCc2ccn(C)c2)cc1)C(C)C ZINC000763461334 1128738885 /nfs/dbraw/zinc/73/88/85/1128738885.db2.gz WULUPOOGEVUSQA-UHFFFAOYSA-N 0 1 271.408 3.872 20 0 CHADMN CCC[C@@H](CCO)CNCc1c(F)ccc(F)c1Cl ZINC000623436045 1117855567 /nfs/dbraw/zinc/85/55/67/1117855567.db2.gz BCSRNWBNKXTHJF-JTQLQIEISA-N 0 1 291.769 3.507 20 0 CHADMN Cc1cc(C)cc(CN2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000510089980 1117868561 /nfs/dbraw/zinc/86/85/61/1117868561.db2.gz XAAXNFLFCVYULC-KRWDZBQOSA-N 0 1 269.392 3.754 20 0 CHADMN Cc1nonc1CN1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC000763958493 1117870480 /nfs/dbraw/zinc/87/04/80/1117870480.db2.gz VWQHAUBIGIHJBJ-INIZCTEOSA-N 0 1 299.418 3.566 20 0 CHADMN Cc1ccc(CNCc2cnn(-c3ccccc3)c2)cc1F ZINC000073052893 1117876329 /nfs/dbraw/zinc/87/63/29/1117876329.db2.gz WKSYRFXCZKWQQN-UHFFFAOYSA-N 0 1 295.361 3.610 20 0 CHADMN CN(CCc1ccccc1)Cc1nc2c(s1)CCCC2 ZINC000177785273 1117880752 /nfs/dbraw/zinc/88/07/52/1117880752.db2.gz IDJSSKNOCPUZNL-UHFFFAOYSA-N 0 1 286.444 3.696 20 0 CHADMN CC[C@H](C(=O)Nc1cccc(-c2cccs2)c1)N(C)C ZINC000177875056 1117881706 /nfs/dbraw/zinc/88/17/06/1117881706.db2.gz AWVPIKIOGLWUJR-CQSZACIVSA-N 0 1 288.416 3.694 20 0 CHADMN F[C@@H]1CCC[C@@H]1NCc1cscc1C(F)(F)F ZINC000339585088 1117888475 /nfs/dbraw/zinc/88/84/75/1117888475.db2.gz SWVNMYIQCLBZFG-ZJUUUORDSA-N 0 1 267.291 3.747 20 0 CHADMN Cc1nnc([C@@H](C)NCCCC2CCCCC2)s1 ZINC000348260309 1117888468 /nfs/dbraw/zinc/88/84/68/1117888468.db2.gz IXMABFAXAFXNPR-LLVKDONJSA-N 0 1 267.442 3.858 20 0 CHADMN CCC(F)(F)CNCC1CCC(C(F)(F)F)CC1 ZINC000623679369 1117889283 /nfs/dbraw/zinc/88/92/83/1117889283.db2.gz SXQLYAYTYKQGLH-UHFFFAOYSA-N 0 1 273.289 3.990 20 0 CHADMN F[C@@H]1CCC[C@@H]1NCc1cnc(-c2ccsc2)s1 ZINC000339586891 1117891391 /nfs/dbraw/zinc/89/13/91/1117891391.db2.gz NGSKNRSQOVKLPS-NEPJUHHUSA-N 0 1 282.409 3.852 20 0 CHADMN Cc1ccc(-c2ncc(CN[C@@H]3CCC[C@@H]3F)s2)o1 ZINC000339590587 1117893027 /nfs/dbraw/zinc/89/30/27/1117893027.db2.gz QSYWVDLGYLPDCR-NWDGAFQWSA-N 0 1 280.368 3.692 20 0 CHADMN CCC(F)(F)C(C)(C)CNCc1nn(C)c(C)c1Cl ZINC000623697869 1117896299 /nfs/dbraw/zinc/89/62/99/1117896299.db2.gz AULXMWRMBGDUBQ-UHFFFAOYSA-N 0 1 293.789 3.543 20 0 CHADMN Cc1noc([C@@H]2CCCN2CC[C@@H](C)CC(C)(C)C)n1 ZINC001208664472 1117902125 /nfs/dbraw/zinc/90/21/25/1117902125.db2.gz MWKVFLRFRCEWRS-OCCSQVGLSA-N 0 1 279.428 3.977 20 0 CHADMN Cc1ccccc1[C@@H](CO)NCc1ccc(Cl)c(F)c1 ZINC001307680428 1117903146 /nfs/dbraw/zinc/90/31/46/1117903146.db2.gz SDEJFLJFTFFBIH-MRXNPFEDSA-N 0 1 293.769 3.611 20 0 CHADMN C[C@@H](c1cccnc1)N(C)C/C=C\c1ccccc1 ZINC000350349182 1117908644 /nfs/dbraw/zinc/90/86/44/1117908644.db2.gz CAIXJUWFLPEDOL-XMELGKRDSA-N 0 1 252.361 3.788 20 0 CHADMN CCC[C@H](CN(C)Cc1cc(C)on1)c1ccccc1 ZINC000179735234 1117911945 /nfs/dbraw/zinc/91/19/45/1117911945.db2.gz OTNRUGLYQQHCAN-MRXNPFEDSA-N 0 1 272.392 3.999 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1ccnn1C1CCC1 ZINC000921505451 1117920420 /nfs/dbraw/zinc/92/04/20/1117920420.db2.gz DMWHBZQSRLMRNF-CQSZACIVSA-N 0 1 299.418 3.776 20 0 CHADMN Cc1c[nH]nc1CN[C@H]1CCCc2ccc(Cl)cc21 ZINC000623751577 1117920539 /nfs/dbraw/zinc/92/05/39/1117920539.db2.gz DBYXQRSBCXNWSI-AWEZNQCLSA-N 0 1 275.783 3.539 20 0 CHADMN Clc1ccc(Cl)c(CN[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000623753840 1117921949 /nfs/dbraw/zinc/92/19/49/1117921949.db2.gz FFLRMYJUFWQUMC-GXTWGEPZSA-N 0 1 286.202 3.651 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cccc(OC)n2)cc1 ZINC000180095977 1117922352 /nfs/dbraw/zinc/92/23/52/1117922352.db2.gz LXRYMSXLCOFTRP-UHFFFAOYSA-N 0 1 284.403 3.678 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cnn(C2CCC2)c1 ZINC000921507504 1117923923 /nfs/dbraw/zinc/92/39/23/1117923923.db2.gz LEZDZRMKUVYBAN-CQSZACIVSA-N 0 1 299.418 3.776 20 0 CHADMN CC1CCC(Cc2nc(-c3ccn4cncc4c3)no2)CC1 ZINC000351085276 1117925889 /nfs/dbraw/zinc/92/58/89/1117925889.db2.gz KJSTXCXUSZBZMO-UHFFFAOYSA-N 0 1 296.374 3.753 20 0 CHADMN Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)Cc2ncccc2[O-])cc1 ZINC000579290128 1128744266 /nfs/dbraw/zinc/74/42/66/1128744266.db2.gz FIJXFVRYIUYBNC-SJLPKXTDSA-N 0 1 296.414 3.864 20 0 CHADMN CC1(C)C(C)(C)C1(C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC001625806814 1117927446 /nfs/dbraw/zinc/92/74/46/1117927446.db2.gz CWIACZQBISPYPW-UHFFFAOYSA-N 0 1 271.364 3.574 20 0 CHADMN F[C@@H]1CN(CCc2ccc(Cl)cc2)CCCC1(F)F ZINC001208737412 1117928222 /nfs/dbraw/zinc/92/82/22/1117928222.db2.gz XIATWDAEEZPANW-CYBMUJFWSA-N 0 1 291.744 3.952 20 0 CHADMN Cc1cccnc1CN1CC=C(c2ccc(F)cc2)CC1 ZINC000180412409 1117929705 /nfs/dbraw/zinc/92/97/05/1117929705.db2.gz WJQQGXIYIDZQEF-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cccc2c1OCC2 ZINC000921509762 1117929986 /nfs/dbraw/zinc/92/99/86/1117929986.db2.gz UNDOQWQTORKCNF-CQSZACIVSA-N 0 1 297.398 3.789 20 0 CHADMN c1c2ccccc2sc1CN1CCO[C@H]2CCC[C@H]21 ZINC000430256632 1117938989 /nfs/dbraw/zinc/93/89/89/1117938989.db2.gz JJKUQBHLXUQNQX-CABCVRRESA-N 0 1 273.401 3.655 20 0 CHADMN CCCc1cc(C(=O)N2CCC[C@H]2CC2CCCC2)n[nH]1 ZINC000655367659 1117944281 /nfs/dbraw/zinc/94/42/81/1117944281.db2.gz PECXHDZJOQNMOE-HNNXBMFYSA-N 0 1 289.423 3.547 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cccc(F)n1)[C@@H](C)C2 ZINC000779135180 1128745681 /nfs/dbraw/zinc/74/56/81/1128745681.db2.gz ACGYLBITEVNZET-YVEFUNNKSA-N 0 1 270.351 3.552 20 0 CHADMN CCCC[C@H](C)N(CCCC)Cc1nnc(C)o1 ZINC000339650860 1117947945 /nfs/dbraw/zinc/94/79/45/1117947945.db2.gz NIHHGXGWVOOAGJ-LBPRGKRZSA-N 0 1 253.390 3.559 20 0 CHADMN Cc1ccnc(CN(C)C2CCC(C(C)(C)C)CC2)n1 ZINC000339654439 1117948156 /nfs/dbraw/zinc/94/81/56/1117948156.db2.gz XEDDRLCMXQVTGC-UHFFFAOYSA-N 0 1 275.440 3.822 20 0 CHADMN Cc1ccnc(CN2CCCCC[C@H]2c2ccccc2)n1 ZINC000339652753 1117948271 /nfs/dbraw/zinc/94/82/71/1117948271.db2.gz QDYLDLNNAGHNBZ-KRWDZBQOSA-N 0 1 281.403 3.902 20 0 CHADMN Cc1csc([C@@H](C)NC[C@@H](C)Oc2ccc(F)cc2)n1 ZINC000623899993 1117950748 /nfs/dbraw/zinc/95/07/48/1117950748.db2.gz ZTBRQYZOCXYAPX-VXGBXAGGSA-N 0 1 294.395 3.709 20 0 CHADMN CCC(CC)c1cc(CN[C@@H](C)[C@H]2CCCCO2)on1 ZINC000623899884 1117951206 /nfs/dbraw/zinc/95/12/06/1117951206.db2.gz WLIFGAFLAGCWOP-BLLLJJGKSA-N 0 1 280.412 3.625 20 0 CHADMN c1sc(CN2CC[C@H](CC3CC3)C2)nc1C1CC1 ZINC000339676956 1117952750 /nfs/dbraw/zinc/95/27/50/1117952750.db2.gz JWHDYLGYDHGFMF-GFCCVEGCSA-N 0 1 262.422 3.643 20 0 CHADMN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@H](CC2CC2)C1 ZINC000339685783 1117953627 /nfs/dbraw/zinc/95/36/27/1117953627.db2.gz HKAWMCKQKIPXQX-GXTWGEPZSA-N 0 1 297.402 3.518 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2sccc2Br)C1 ZINC000430265023 1117958278 /nfs/dbraw/zinc/95/82/78/1117958278.db2.gz TYUYGNWDTRPIRA-SECBINFHSA-N 0 1 286.238 3.909 20 0 CHADMN CC(C)[C@]1(CO)CCCN([C@H](C)c2c(F)cccc2F)C1 ZINC000339701904 1117960778 /nfs/dbraw/zinc/96/07/78/1117960778.db2.gz OTUWOLPFKXLKCS-CXAGYDPISA-N 0 1 297.389 3.756 20 0 CHADMN CC(C)[C@@]1(CO)CCCN(Cc2c(F)cccc2Cl)C1 ZINC000339700662 1117960892 /nfs/dbraw/zinc/96/08/92/1117960892.db2.gz DCWUYFVUFAGLHM-INIZCTEOSA-N 0 1 299.817 3.710 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@@H]1CCCc2scnc21 ZINC000623960789 1117962046 /nfs/dbraw/zinc/96/20/46/1117962046.db2.gz HMOAJRVARZKWNO-RKDXNWHRSA-N 0 1 278.343 3.841 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@H](C)c1nc(C)cs1 ZINC000623960570 1117962422 /nfs/dbraw/zinc/96/24/22/1117962422.db2.gz AMBKQQXASDPNHY-RKDXNWHRSA-N 0 1 266.332 3.833 20 0 CHADMN CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C)CC1 ZINC000063302658 1117962980 /nfs/dbraw/zinc/96/29/80/1117962980.db2.gz IVGIQCDFCPUQPE-CABCVRRESA-N 0 1 288.435 3.698 20 0 CHADMN Cc1csc([C@H](C)N[C@@H]2C[C@H]2c2ccccc2F)n1 ZINC000623999578 1117967884 /nfs/dbraw/zinc/96/78/84/1117967884.db2.gz VFANBBGSQKBRLF-VHRBIJSZSA-N 0 1 276.380 3.797 20 0 CHADMN C[C@H](NCC1=CCCC1)c1cc(-c2ccccc2)n(C)n1 ZINC000624015529 1117970712 /nfs/dbraw/zinc/97/07/12/1117970712.db2.gz ZPTBUVJETYUNOD-AWEZNQCLSA-N 0 1 281.403 3.848 20 0 CHADMN CC[C@@H](C)Oc1cc(CNCc2ccoc2)ccc1OC ZINC000624019457 1117971418 /nfs/dbraw/zinc/97/14/18/1117971418.db2.gz RBWBVRXWKOGJEL-CYBMUJFWSA-N 0 1 289.375 3.755 20 0 CHADMN C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H](O)CC1 ZINC000339787454 1117974775 /nfs/dbraw/zinc/97/47/75/1117974775.db2.gz ORGHYDQRAVAKGX-JQWIXIFHSA-N 0 1 288.218 3.901 20 0 CHADMN C[C@H](NCc1ccns1)c1cccc(C2CC2)c1 ZINC000624046670 1117975550 /nfs/dbraw/zinc/97/55/50/1117975550.db2.gz GUOYQHLFKAYBTG-NSHDSACASA-N 0 1 258.390 3.871 20 0 CHADMN Cc1cccc([C@H](C)NCc2c(C(F)(F)F)cnn2C)c1 ZINC000624051634 1117976434 /nfs/dbraw/zinc/97/64/34/1117976434.db2.gz IZNIIVAAIVIHDY-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN Cc1cccc([C@@H](C)NCc2c(C(F)(F)F)cnn2C)c1 ZINC000624051633 1117976569 /nfs/dbraw/zinc/97/65/69/1117976569.db2.gz IZNIIVAAIVIHDY-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(Cl)cn2)cc1 ZINC000274974857 1117978706 /nfs/dbraw/zinc/97/87/06/1117978706.db2.gz YMQKHOLJFXWKPV-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1ccc(C[N@@H+]2CC[C@@](C(=O)[O-])(C(C)C)C2)c(Cl)c1 ZINC000232750305 1117988736 /nfs/dbraw/zinc/98/87/36/1117988736.db2.gz VNBIYEMLXKXXGV-INIZCTEOSA-N 0 1 295.810 3.581 20 0 CHADMN Cc1c(Cl)ccc(CN2CCC[C@H](CF)C2)c1F ZINC001238518571 1117997388 /nfs/dbraw/zinc/99/73/88/1117997388.db2.gz UNDLKODVJPGKCK-LLVKDONJSA-N 0 1 273.754 3.969 20 0 CHADMN Cc1cccnc1CN[C@@]1(c2ccccc2)CC1(C)C ZINC000662341545 1117999302 /nfs/dbraw/zinc/99/93/02/1117999302.db2.gz UWXAHTIAIYNIFS-GOSISDBHSA-N 0 1 266.388 3.805 20 0 CHADMN c1nc(-c2ccccc2)[nH]c1CNc1nc2ccccc2o1 ZINC000181504492 1118000909 /nfs/dbraw/zinc/00/09/09/1118000909.db2.gz CXNWTJAAEZEFSU-UHFFFAOYSA-N 0 1 290.326 3.830 20 0 CHADMN Cc1oncc1CN(Cc1ccc(F)cc1)CC1CC1 ZINC000181707015 1118004175 /nfs/dbraw/zinc/00/41/75/1118004175.db2.gz DQUHXCWEEGFTRN-UHFFFAOYSA-N 0 1 274.339 3.534 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CC[C@]2(CC2(F)F)C1 ZINC000649903728 1118011554 /nfs/dbraw/zinc/01/15/54/1118011554.db2.gz VBZMJYJCSRDHMH-ZANVPECISA-N 0 1 273.273 3.757 20 0 CHADMN CO[C@H](C)c1noc(CN(CC(C)(C)C)CC(C)(C)C)n1 ZINC000182079433 1118014107 /nfs/dbraw/zinc/01/41/07/1118014107.db2.gz MDZJXWRUIDBERX-GFCCVEGCSA-N 0 1 297.443 3.671 20 0 CHADMN Cc1nc([C@@H](C)NCCCOCc2ccccc2)cs1 ZINC000358089730 1118014678 /nfs/dbraw/zinc/01/46/78/1118014678.db2.gz RZQKTVQBCAHKFR-CYBMUJFWSA-N 0 1 290.432 3.709 20 0 CHADMN CCCCN(CCCO)[C@H](C)c1c(F)cccc1F ZINC000182162440 1118015514 /nfs/dbraw/zinc/01/55/14/1118015514.db2.gz CUNRIWDLNMZBRI-GFCCVEGCSA-N 0 1 271.351 3.510 20 0 CHADMN CC[C@@H](NCc1csc(C2CCCC2)n1)[C@H]1CCCO1 ZINC000182292896 1118019256 /nfs/dbraw/zinc/01/92/56/1118019256.db2.gz OZCAXKWKADCKKB-HUUCEWRRSA-N 0 1 294.464 3.848 20 0 CHADMN CSc1nccc(CN2CCC[C@@H]2c2ccccc2)n1 ZINC001140036801 1118028159 /nfs/dbraw/zinc/02/81/59/1118028159.db2.gz MBTCMAFQSWNPOC-OAHLLOKOSA-N 0 1 285.416 3.536 20 0 CHADMN C[C@H]1CCC[C@H](C)C1NCc1noc(-c2ccsc2)n1 ZINC000182716684 1118028229 /nfs/dbraw/zinc/02/82/29/1118028229.db2.gz QVCGDYRFOUDVRV-QWRGUYRKSA-N 0 1 291.420 3.712 20 0 CHADMN Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)c(C)o1 ZINC000182766228 1118028663 /nfs/dbraw/zinc/02/86/63/1118028663.db2.gz XANLRPCQUOGAIM-UHFFFAOYSA-N 0 1 299.779 3.659 20 0 CHADMN CCCCCNC(=O)CN(C)[C@@H](C)c1ccc(C)cc1C ZINC000615463673 1128750982 /nfs/dbraw/zinc/75/09/82/1128750982.db2.gz FZXSEFVMJNGITN-INIZCTEOSA-N 0 1 290.451 3.603 20 0 CHADMN C[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1nccn1C ZINC000182815708 1118030275 /nfs/dbraw/zinc/03/02/75/1118030275.db2.gz OVCAURNISPVINS-LRDDRELGSA-N 0 1 287.382 3.751 20 0 CHADMN Cc1ccc(CCCOc2ccccc2-c2nnc[nH]2)cc1 ZINC000182941794 1118033600 /nfs/dbraw/zinc/03/36/00/1118033600.db2.gz RBMVYWMORUTOTN-UHFFFAOYSA-N 0 1 293.370 3.792 20 0 CHADMN CC(C)c1cnc(C[N@H+]2CCC[C@H](C)[C@H]2C)s1 ZINC000183029764 1118035462 /nfs/dbraw/zinc/03/54/62/1118035462.db2.gz YBYZNIJLTGIQPJ-NWDGAFQWSA-N 0 1 252.427 3.887 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@H](C)[C@H]2C)s1 ZINC000183029764 1118035467 /nfs/dbraw/zinc/03/54/67/1118035467.db2.gz YBYZNIJLTGIQPJ-NWDGAFQWSA-N 0 1 252.427 3.887 20 0 CHADMN CCC(CC)[C@@H](C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000535634325 1118036326 /nfs/dbraw/zinc/03/63/26/1118036326.db2.gz RHFRCMIRCXTINR-SNVBAGLBSA-N 0 1 273.380 3.882 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccc(C)cc2)c1OC ZINC000037769953 1118037585 /nfs/dbraw/zinc/03/75/85/1118037585.db2.gz HPHCRNWMYRUSFG-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN CN(Cc1csc(Cl)c1Cl)C1CCOCC1 ZINC000579548144 1128751596 /nfs/dbraw/zinc/75/15/96/1128751596.db2.gz UVNCYXGDMGDXTB-UHFFFAOYSA-N 0 1 280.220 3.666 20 0 CHADMN C[C@@H](N[C@@H]1CCC(C)(C)c2ccccc21)c1nccn1C ZINC000183195126 1118040264 /nfs/dbraw/zinc/04/02/64/1118040264.db2.gz RIXLGDXJSVMSMZ-CZUORRHYSA-N 0 1 283.419 3.883 20 0 CHADMN Cc1nc2ccc(NC(=O)c3c(C)noc3C(C)C)cc2[nH]1 ZINC000042060170 1118040650 /nfs/dbraw/zinc/04/06/50/1118040650.db2.gz QQJLEOZXXCUQJS-UHFFFAOYSA-N 0 1 298.346 3.543 20 0 CHADMN CCc1noc([C@@H](C)N2CC[C@H](c3cc(C)cc(C)c3)C2)n1 ZINC000183480850 1118044294 /nfs/dbraw/zinc/04/42/94/1118044294.db2.gz JJWIEOIITQDGAY-CABCVRRESA-N 0 1 299.418 3.799 20 0 CHADMN CCN(Cc1cn(C)nc1C(C)(C)C)Cc1ccccc1 ZINC000183468716 1118044727 /nfs/dbraw/zinc/04/47/27/1118044727.db2.gz UNYBAIOILOLEOE-UHFFFAOYSA-N 0 1 285.435 3.740 20 0 CHADMN CCCNc1ccccc1NC(=O)c1cccc2cn[nH]c21 ZINC000183600231 1118046942 /nfs/dbraw/zinc/04/69/42/1118046942.db2.gz HOUXELQZNNGODT-UHFFFAOYSA-N 0 1 294.358 3.637 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)c1cccc(N(C)C)n1 ZINC001167129932 1118047617 /nfs/dbraw/zinc/04/76/17/1118047617.db2.gz QMYQBFAOROYLJM-HNNXBMFYSA-N 0 1 269.392 3.735 20 0 CHADMN CCOCC1CCN(Cc2ccc(Cl)s2)CC1 ZINC001204441898 1118055225 /nfs/dbraw/zinc/05/52/25/1118055225.db2.gz GWNZXQGMLFRCST-UHFFFAOYSA-N 0 1 273.829 3.650 20 0 CHADMN CC[C@@H](CC(=O)Nc1nc(C2CCC2)n[nH]1)c1ccccc1 ZINC000184645152 1118055445 /nfs/dbraw/zinc/05/54/45/1118055445.db2.gz HXHVVRMUESGVDR-LBPRGKRZSA-N 0 1 298.390 3.595 20 0 CHADMN CC[C@@H](CC(=O)Nc1n[nH]c(C2CCC2)n1)c1ccccc1 ZINC000184645152 1118055450 /nfs/dbraw/zinc/05/54/50/1118055450.db2.gz HXHVVRMUESGVDR-LBPRGKRZSA-N 0 1 298.390 3.595 20 0 CHADMN COC[C@H](NCCSc1ccccc1)c1ccc(C)o1 ZINC000184661656 1118055812 /nfs/dbraw/zinc/05/58/12/1118055812.db2.gz FOYLJCZNZUIAGM-HNNXBMFYSA-N 0 1 291.416 3.657 20 0 CHADMN CCC[C@H](NCc1cc(F)cc(F)c1)c1cccnc1 ZINC000184931658 1118058465 /nfs/dbraw/zinc/05/84/65/1118058465.db2.gz CFGAEWGWJNVHJN-INIZCTEOSA-N 0 1 276.330 3.991 20 0 CHADMN Cc1cnc([C@H](C)NCCCOc2ccccc2C)s1 ZINC000184976695 1118058981 /nfs/dbraw/zinc/05/89/81/1118058981.db2.gz OCQBFRXUISYDLS-AWEZNQCLSA-N 0 1 290.432 3.880 20 0 CHADMN C[C@H]1C[C@H](c2cccnc2)N(Cc2ccccc2F)C1 ZINC000185716659 1118063789 /nfs/dbraw/zinc/06/37/89/1118063789.db2.gz JXMKDDYLKVJEDS-SUMWQHHRSA-N 0 1 270.351 3.804 20 0 CHADMN CCCNc1ccc(CN[C@@H](C)c2ccccn2)cc1 ZINC000193363422 1118065865 /nfs/dbraw/zinc/06/58/65/1118065865.db2.gz OCUZONDMJISDAS-AWEZNQCLSA-N 0 1 269.392 3.754 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCC1(C)CCC1 ZINC000764098825 1118070174 /nfs/dbraw/zinc/07/01/74/1118070174.db2.gz HPZVAUABLZPBKZ-UHFFFAOYSA-N 0 1 284.359 3.732 20 0 CHADMN CCCC=CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000068079591 1128754337 /nfs/dbraw/zinc/75/43/37/1128754337.db2.gz AYDOGBZESYVCLU-HKUPYCBJSA-N 0 1 285.391 3.733 20 0 CHADMN C[C@@H]1CCN(Cc2c(F)cccc2C(F)(F)F)C1 ZINC001204460012 1118089623 /nfs/dbraw/zinc/08/96/23/1118089623.db2.gz HBINKEHWTNWMJF-SECBINFHSA-N 0 1 261.262 3.686 20 0 CHADMN CCOCc1ccccc1CN[C@H](C)c1ccncc1F ZINC000340170922 1118095819 /nfs/dbraw/zinc/09/58/19/1118095819.db2.gz AAOCXHBRBWXROD-CYBMUJFWSA-N 0 1 288.366 3.608 20 0 CHADMN Cc1cc(C[N@@H+](Cc2cccs2)C2CC2)oc1C(=O)[O-] ZINC000049024476 1118095891 /nfs/dbraw/zinc/09/58/91/1118095891.db2.gz CMFUJSYOXNEGCG-UHFFFAOYSA-N 0 1 291.372 3.512 20 0 CHADMN Clc1cc(CN2CC[C@@H](C3CC3)C2)cc(Cl)n1 ZINC000764485038 1118095966 /nfs/dbraw/zinc/09/59/66/1118095966.db2.gz LRAUTXLKIPEUAP-LLVKDONJSA-N 0 1 271.191 3.620 20 0 CHADMN C[C@H]1CCN(Cc2csc(C3CC3)n2)C[C@@H](C)C1 ZINC000340172542 1118097182 /nfs/dbraw/zinc/09/71/82/1118097182.db2.gz BKXPIYRDMYBRID-RYUDHWBXSA-N 0 1 264.438 3.889 20 0 CHADMN CCc1onc(C)c1CN(CC)Cc1ccc(C)cc1 ZINC001167205817 1118098368 /nfs/dbraw/zinc/09/83/68/1118098368.db2.gz IZLDJRGMOYPCBY-UHFFFAOYSA-N 0 1 272.392 3.876 20 0 CHADMN Fc1cc(F)c(F)c(Nc2ccc3nc[nH]c3c2)c1F ZINC001209847059 1118098638 /nfs/dbraw/zinc/09/86/38/1118098638.db2.gz NQDYBCXXRKRFGD-UHFFFAOYSA-N 0 1 281.212 3.863 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nc(-c2cccc(C)c2)no1 ZINC000042121785 1118102191 /nfs/dbraw/zinc/10/21/91/1118102191.db2.gz FOOCVCNYPQTYMK-OAHLLOKOSA-N 0 1 285.391 3.810 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC(CC(C)C)CC1 ZINC000764607839 1118102235 /nfs/dbraw/zinc/10/22/35/1118102235.db2.gz QRRIDSSLPBKRIW-UHFFFAOYSA-N 0 1 291.439 3.740 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1c(F)cc(F)c(F)c1F ZINC001205190098 1118107154 /nfs/dbraw/zinc/10/71/54/1118107154.db2.gz FHCZEAPRGNFKDR-UHFFFAOYSA-N 0 1 284.187 3.925 20 0 CHADMN Cc1cnn(-c2ccncc2NCc2ccc(C)cc2C)c1 ZINC000340193656 1118108336 /nfs/dbraw/zinc/10/83/36/1118108336.db2.gz BZNAXCZAWAHFTM-UHFFFAOYSA-N 0 1 292.386 3.805 20 0 CHADMN CC(C)CN(Cc1cc2n(n1)CCCC2)Cc1ccccc1 ZINC001167240363 1118114559 /nfs/dbraw/zinc/11/45/59/1118114559.db2.gz CQAZECRYUYMQPA-UHFFFAOYSA-N 0 1 297.446 3.878 20 0 CHADMN COC(=O)c1cc(CN(C)[C@H](C)c2ccccc2)c(C)o1 ZINC000143143966 1118123498 /nfs/dbraw/zinc/12/34/98/1118123498.db2.gz ZARXVLQVZJYZOO-GFCCVEGCSA-N 0 1 287.359 3.568 20 0 CHADMN C[C@H]1CCN(Cn2cccnc2=S)CC12CCCCC2 ZINC000764954389 1118127417 /nfs/dbraw/zinc/12/74/17/1118127417.db2.gz JZIYPYVOZCYNJJ-AWEZNQCLSA-N 0 1 291.464 3.862 20 0 CHADMN CN(Cc1nc(-c2ccccc2)c[nH]1)CC1(C)CCC1 ZINC000340278348 1118130791 /nfs/dbraw/zinc/13/07/91/1118130791.db2.gz GDQMYUWDTVVLPO-UHFFFAOYSA-N 0 1 269.392 3.699 20 0 CHADMN Cc1ccc2nc(CNc3nc(C)ccc3Cl)[nH]c2c1 ZINC000765044489 1118132165 /nfs/dbraw/zinc/13/21/65/1118132165.db2.gz RJHZVJBREUQMNZ-UHFFFAOYSA-N 0 1 286.766 3.840 20 0 CHADMN C[C@H]1C[N@@H+](CC2(C)CCC2)C[C@@H](c2ccsc2)O1 ZINC000340288080 1118132432 /nfs/dbraw/zinc/13/24/32/1118132432.db2.gz LLMAZJXMUOWFIC-JSGCOSHPSA-N 0 1 265.422 3.700 20 0 CHADMN C[C@H]1CN(CC2(C)CCC2)C[C@@H](c2ccsc2)O1 ZINC000340288080 1118132435 /nfs/dbraw/zinc/13/24/35/1118132435.db2.gz LLMAZJXMUOWFIC-JSGCOSHPSA-N 0 1 265.422 3.700 20 0 CHADMN c1coc(C[N@H+](CCc2cscn2)Cc2ccccc2)c1 ZINC000340289888 1118134244 /nfs/dbraw/zinc/13/42/44/1118134244.db2.gz VWYSGYUSSKAVPV-UHFFFAOYSA-N 0 1 298.411 3.981 20 0 CHADMN c1coc(CN(CCc2cscn2)Cc2ccccc2)c1 ZINC000340289888 1118134246 /nfs/dbraw/zinc/13/42/46/1118134246.db2.gz VWYSGYUSSKAVPV-UHFFFAOYSA-N 0 1 298.411 3.981 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2cccc3c2OCC3)cc1 ZINC000921512399 1118150089 /nfs/dbraw/zinc/15/00/89/1118150089.db2.gz IYGNIJJPQBTYJE-CQSZACIVSA-N 0 1 297.398 3.871 20 0 CHADMN Cc1nc2c(n1Cc1cc(F)ccc1C)CCCC2 ZINC000097856105 1118152525 /nfs/dbraw/zinc/15/25/25/1118152525.db2.gz IRZQPYYPRYOZSW-UHFFFAOYSA-N 0 1 258.340 3.566 20 0 CHADMN Cc1cc(NC[C@@H]2CC2(Cl)Cl)c2cc(F)ccc2n1 ZINC000765453013 1118153004 /nfs/dbraw/zinc/15/30/04/1118153004.db2.gz ITYOKRUWWMKYBE-VIFPVBQESA-N 0 1 299.176 3.710 20 0 CHADMN Cc1cc(NC[C@H]2CC2(Cl)Cl)c2cc(F)ccc2n1 ZINC000765453011 1118153204 /nfs/dbraw/zinc/15/32/04/1118153204.db2.gz ITYOKRUWWMKYBE-SECBINFHSA-N 0 1 299.176 3.710 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)CCO3)cn1 ZINC001204491961 1118153646 /nfs/dbraw/zinc/15/36/46/1118153646.db2.gz WFUAXBXPGHGPEW-SFHVURJKSA-N 0 1 294.398 3.662 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2ccc3c(c2)CCO3)cn1 ZINC001204491961 1118153650 /nfs/dbraw/zinc/15/36/50/1118153650.db2.gz WFUAXBXPGHGPEW-SFHVURJKSA-N 0 1 294.398 3.662 20 0 CHADMN CC[C@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000126349356 1118155842 /nfs/dbraw/zinc/15/58/42/1118155842.db2.gz ASMAYABBXCUDJN-AWEZNQCLSA-N 0 1 279.355 3.679 20 0 CHADMN CC(C)(C)c1coc(CNCC2(c3ccccc3)CC2)n1 ZINC000921520021 1118156869 /nfs/dbraw/zinc/15/68/69/1118156869.db2.gz JBDKFRBVOMTRMW-UHFFFAOYSA-N 0 1 284.403 3.794 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000164543656 1118160223 /nfs/dbraw/zinc/16/02/23/1118160223.db2.gz MMDWIOHWRMPRHT-MNOVXSKESA-N 0 1 289.400 3.830 20 0 CHADMN Cc1ccc(CNCc2cc(C#N)ccc2F)cc1C ZINC000083510146 1118160208 /nfs/dbraw/zinc/16/02/08/1118160208.db2.gz BVHDTNZFFFBQMF-UHFFFAOYSA-N 0 1 268.335 3.604 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](NCc1c[nH]cn1)C(C)C ZINC000171966315 1118163541 /nfs/dbraw/zinc/16/35/41/1118163541.db2.gz SQHTYDQAVCVZBB-INIZCTEOSA-N 0 1 283.375 3.951 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2CCc3ccc(F)cc32)c(C)n1 ZINC000089552408 1118163579 /nfs/dbraw/zinc/16/35/79/1118163579.db2.gz NXFUHJBCTQCFNN-APPDUMDISA-N 0 1 285.366 3.571 20 0 CHADMN Cc1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)c(F)c1 ZINC000015603241 1118166877 /nfs/dbraw/zinc/16/68/77/1118166877.db2.gz WKZBKSCWUGUMGH-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN CCc1ccc(CNCc2nccc3c2CCCC3)s1 ZINC000921532278 1118173110 /nfs/dbraw/zinc/17/31/10/1118173110.db2.gz BKOHVSBDRZVBAL-UHFFFAOYSA-N 0 1 286.444 3.874 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1nccs1 ZINC000683544136 1118173759 /nfs/dbraw/zinc/17/37/59/1118173759.db2.gz PXKDTBXIPNZCOK-UHFFFAOYSA-N 0 1 298.371 3.539 20 0 CHADMN c1cc(CNCc2cc3ccccc3o2)n(C2CCC2)n1 ZINC000921540409 1118177011 /nfs/dbraw/zinc/17/70/11/1118177011.db2.gz HDNSOELLGHOISR-UHFFFAOYSA-N 0 1 281.359 3.644 20 0 CHADMN CCOC(=O)[C@@H](CCc1ccccc1)N(C)CC(C)(C)C ZINC001167291219 1118178791 /nfs/dbraw/zinc/17/87/91/1118178791.db2.gz IZVBXZOJTFNFAT-MRXNPFEDSA-N 0 1 291.435 3.529 20 0 CHADMN CC(C)(C)c1ccccc1NC(=O)CN1CCCCCC1 ZINC000023693645 1118179939 /nfs/dbraw/zinc/17/99/39/1118179939.db2.gz BPWHFGWXJOFVSB-UHFFFAOYSA-N 0 1 288.435 3.799 20 0 CHADMN Cc1ccsc1[C@@H](CO)N[C@H](C)c1cc(F)cc(F)c1 ZINC000537954150 1118180987 /nfs/dbraw/zinc/18/09/87/1118180987.db2.gz VVIOJRRHDMNWGF-QMTHXVAHSA-N 0 1 297.370 3.719 20 0 CHADMN CC(C)[C@H](N[C@@H]1CCCn2ccnc21)c1ccc(F)cc1 ZINC000655692051 1118185371 /nfs/dbraw/zinc/18/53/71/1118185371.db2.gz CVCTZFYSJBYAOJ-CVEARBPZSA-N 0 1 287.382 3.844 20 0 CHADMN C[C@H]1CC[C@H](NCc2cc(-c3ccccc3)on2)CS1 ZINC000655704339 1118188135 /nfs/dbraw/zinc/18/81/35/1118188135.db2.gz BAQHDUNBMWRGCY-JSGCOSHPSA-N 0 1 288.416 3.715 20 0 CHADMN C[C@@H](Cc1ccc(F)cc1)NCc1nc(C(C)(C)C)co1 ZINC000921549420 1118190161 /nfs/dbraw/zinc/19/01/61/1118190161.db2.gz GMXUGJHOZZCRCY-LBPRGKRZSA-N 0 1 290.382 3.832 20 0 CHADMN Fc1ccc([C@@H](N[C@H]2CCCn3ccnc32)C2CCC2)cc1 ZINC000655708973 1118190303 /nfs/dbraw/zinc/19/03/03/1118190303.db2.gz QUDCQUOKRMRRLS-IRXDYDNUSA-N 0 1 299.393 3.988 20 0 CHADMN Fc1ccc([C@@H]2CCN(Cc3ccnc(Cl)c3)C2)cc1 ZINC000755994904 1118192997 /nfs/dbraw/zinc/19/29/97/1118192997.db2.gz JZTINNWNDUGOBR-CQSZACIVSA-N 0 1 290.769 3.864 20 0 CHADMN Clc1ncc(CN2CCC[C@@H](C3CCC3)C2)s1 ZINC000693096765 1118195927 /nfs/dbraw/zinc/19/59/27/1118195927.db2.gz JEWIPQMXYAPSPH-LLVKDONJSA-N 0 1 270.829 3.809 20 0 CHADMN CC1(C)C[C@@H](NCc2cc3n(n2)CCCC3)c2ccccc21 ZINC000655746467 1118200952 /nfs/dbraw/zinc/20/09/52/1118200952.db2.gz BPUHSICQZOSZTK-GOSISDBHSA-N 0 1 295.430 3.732 20 0 CHADMN C[C@H](C[N@@H+](C)[C@@H](C)c1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000399383189 1118202207 /nfs/dbraw/zinc/20/22/07/1118202207.db2.gz JRUUVCCKSQCAID-MNOVXSKESA-N 0 1 267.369 3.653 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1ccc(Cl)s1)C(F)(F)F ZINC000765734775 1118202422 /nfs/dbraw/zinc/20/24/22/1118202422.db2.gz JHBUVBVLLRHGCZ-XPUUQOCRSA-N 0 1 287.734 3.629 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccsc1C(=O)[O-])C(C)(C)C ZINC000399557061 1118206123 /nfs/dbraw/zinc/20/61/23/1118206123.db2.gz FFBWWGABVRZQLD-SNVBAGLBSA-N 0 1 269.410 3.560 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccc3c2OCC3)c(C)o1 ZINC000693113128 1118207933 /nfs/dbraw/zinc/20/79/33/1118207933.db2.gz RCGIWZKGRSMKHH-GFCCVEGCSA-N 0 1 271.360 3.682 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cc3n(n1)CCCC3)CCC2 ZINC000655776133 1118209111 /nfs/dbraw/zinc/20/91/11/1118209111.db2.gz IKHZXIUQMRPMIU-LJQANCHMSA-N 0 1 295.430 3.695 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@@H]1C)c1noc(-c2ccccc2)n1 ZINC000124418658 1118209769 /nfs/dbraw/zinc/20/97/69/1118209769.db2.gz BWLFTECTEZGATD-KCQAQPDRSA-N 0 1 285.391 3.966 20 0 CHADMN CCc1cccc(CN[C@H](C)c2cn3ccccc3n2)c1 ZINC000655780931 1118211518 /nfs/dbraw/zinc/21/15/18/1118211518.db2.gz RFYMPIQTYWVWBT-CQSZACIVSA-N 0 1 279.387 3.748 20 0 CHADMN CC(C)=CCC[C@@H](C)CC(=O)NCc1ccc2nc[nH]c2c1 ZINC000615795182 1128763063 /nfs/dbraw/zinc/76/30/63/1128763063.db2.gz ZIBRPLRPLWKXMX-CQSZACIVSA-N 0 1 299.418 3.952 20 0 CHADMN Cc1ccc2nc(SCc3nc(C(C)C)no3)[nH]c2c1 ZINC000029137785 1118213523 /nfs/dbraw/zinc/21/35/23/1118213523.db2.gz ZFGZQHDIESLCJD-UHFFFAOYSA-N 0 1 288.376 3.670 20 0 CHADMN CC(C)[C@H]1CC[C@H](C(=O)NCc2ccc3nc[nH]c3c2)CC1 ZINC000615793252 1128763118 /nfs/dbraw/zinc/76/31/18/1128763118.db2.gz WFCAEPHZEOPNEZ-SHTZXODSSA-N 0 1 299.418 3.642 20 0 CHADMN CCn1cc(CN(C)Cc2csc3ccccc23)cn1 ZINC000172161579 1118214233 /nfs/dbraw/zinc/21/42/33/1118214233.db2.gz PPCZZGFZUVXERB-UHFFFAOYSA-N 0 1 285.416 3.750 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@H]1COc3ccc(F)cc31)CC2 ZINC000468037221 1118214640 /nfs/dbraw/zinc/21/46/40/1118214640.db2.gz HXPWPHYWFNAWRT-IRXDYDNUSA-N 0 1 299.345 3.545 20 0 CHADMN COc1ccccc1[C@H](C)NCc1cccc(C)c1OC ZINC000655809611 1118219258 /nfs/dbraw/zinc/21/92/58/1118219258.db2.gz BMPCGUDXNCFURC-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN CCc1ccccc1CNCc1noc2cc(F)ccc12 ZINC001203458208 1118219425 /nfs/dbraw/zinc/21/94/25/1118219425.db2.gz YDXHWGSWMVKLKT-UHFFFAOYSA-N 0 1 284.334 3.819 20 0 CHADMN COc1cccc2c1CC[C@H]2NCc1cccc(C)c1OC ZINC000655812140 1118220082 /nfs/dbraw/zinc/22/00/82/1118220082.db2.gz ZZFZECUQFCFNAQ-QGZVFWFLSA-N 0 1 297.398 3.789 20 0 CHADMN CC(C)c1cnc(CN[C@H](C2CC2)[C@@H]2CCCCO2)s1 ZINC000655812337 1118220409 /nfs/dbraw/zinc/22/04/09/1118220409.db2.gz PDGVTCWFPUJIDG-XJKSGUPXSA-N 0 1 294.464 3.704 20 0 CHADMN CCc1cc(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000032194482 1118224017 /nfs/dbraw/zinc/22/40/17/1118224017.db2.gz WWESHIMLSCHLRA-UHFFFAOYSA-N 0 1 299.418 3.542 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1cn2ccc(C)cc2n1 ZINC000765757282 1118225425 /nfs/dbraw/zinc/22/54/25/1118225425.db2.gz GIEPJQXZTJJGHV-GOSISDBHSA-N 0 1 291.398 3.728 20 0 CHADMN Cc1ccc(-c2cnc(CN3CCCCC3)o2)cc1 ZINC000041362286 1118230092 /nfs/dbraw/zinc/23/00/92/1118230092.db2.gz AWYNKUIKGHJCDZ-UHFFFAOYSA-N 0 1 256.349 3.636 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1ccnn1C1CCC1 ZINC000921622239 1118230696 /nfs/dbraw/zinc/23/06/96/1118230696.db2.gz UQUFHPKDOLWVFQ-CQSZACIVSA-N 0 1 299.418 3.858 20 0 CHADMN C[C@@H]1CCCCN1Cc1ncc(-c2ccccc2)o1 ZINC000041362506 1118230730 /nfs/dbraw/zinc/23/07/30/1118230730.db2.gz JEDLIQNREHVSMC-CYBMUJFWSA-N 0 1 256.349 3.716 20 0 CHADMN O=C(Nc1ccc(O)c(Cl)c1)c1ccc(O)c(Cl)c1 ZINC000085204475 1118231510 /nfs/dbraw/zinc/23/15/10/1118231510.db2.gz MVPNDWQEOWKUKW-UHFFFAOYSA-N 0 1 298.125 3.657 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(C)cnc2Cl)cc1 ZINC000921623297 1118232283 /nfs/dbraw/zinc/23/22/83/1118232283.db2.gz VFJAIPRQRKGRHH-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1ccc2sc(CN3CCSCC[C@H]3C)nc2c1 ZINC000625368910 1118246886 /nfs/dbraw/zinc/24/68/86/1118246886.db2.gz ZVHCEPMZRXWQGW-GFCCVEGCSA-N 0 1 292.473 3.932 20 0 CHADMN CN(CCC(F)(F)F)C[C@@H]1CCC2(CCCCC2)O1 ZINC000409445981 1118248717 /nfs/dbraw/zinc/24/87/17/1118248717.db2.gz ONZWDSJXYZZKOO-LBPRGKRZSA-N 0 1 279.346 3.753 20 0 CHADMN CC(C)c1cnc(CNC[C@H]2CCC3(CCCC3)O2)s1 ZINC000655863087 1118249399 /nfs/dbraw/zinc/24/93/99/1118249399.db2.gz GZDGKQSXWMLRMW-CYBMUJFWSA-N 0 1 294.464 3.848 20 0 CHADMN Cc1noc([C@@H](C)N(C)CC23CC4CC(CC(C4)C2)C3)n1 ZINC000044586109 1118250144 /nfs/dbraw/zinc/25/01/44/1118250144.db2.gz HJRXTOGXJWFZLU-AVULXXCZSA-N 0 1 289.423 3.587 20 0 CHADMN CC[C@@H](C)CN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000409445372 1118251367 /nfs/dbraw/zinc/25/13/67/1118251367.db2.gz UPDLZYNVVOMDRX-DOMZBBRYSA-N 0 1 267.800 3.759 20 0 CHADMN CCCCN(CC(=O)Nc1cccc(Cl)c1C)C1CC1 ZINC000046602715 1118262856 /nfs/dbraw/zinc/26/28/56/1118262856.db2.gz XYMITGZOYDWLRR-UHFFFAOYSA-N 0 1 294.826 3.851 20 0 CHADMN CCCC[C@H](CC)CCN1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000472630762 1118262806 /nfs/dbraw/zinc/26/28/06/1118262806.db2.gz OPAYGPIRNZKEFW-YESZJQIVSA-N 0 1 295.467 3.663 20 0 CHADMN CSc1ccc(NCc2ccnn2-c2ccncc2)cc1 ZINC001648862081 1118266442 /nfs/dbraw/zinc/26/64/42/1118266442.db2.gz MBCJWOLFYUNSGU-UHFFFAOYSA-N 0 1 296.399 3.601 20 0 CHADMN Cc1ncc(CN(C)Cc2cccc3cccnc32)s1 ZINC000047258845 1118267923 /nfs/dbraw/zinc/26/79/23/1118267923.db2.gz IVBKWHBGQXADCZ-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN CCO[C@H]1CCCN(Cc2ccc(C)cc2Cl)C1 ZINC000683667797 1118270103 /nfs/dbraw/zinc/27/01/03/1118270103.db2.gz JIFCICIAGZPZGQ-AWEZNQCLSA-N 0 1 267.800 3.649 20 0 CHADMN c1ccc(-c2nc(CN3CCC[C@H]3C3CCCC3)no2)cc1 ZINC000056511937 1118273172 /nfs/dbraw/zinc/27/31/72/1118273172.db2.gz JHBFMCUWKCWONG-INIZCTEOSA-N 0 1 297.402 3.891 20 0 CHADMN CC(C)[C@H]1CCCCC[N@H+]1Cc1nnc(C2CC2)s1 ZINC001168581244 1118278297 /nfs/dbraw/zinc/27/82/97/1118278297.db2.gz SWYKFNGBOZZBHC-CYBMUJFWSA-N 0 1 279.453 3.816 20 0 CHADMN CC(C)[C@H]1CCCCCN1Cc1nnc(C2CC2)s1 ZINC001168581244 1118278301 /nfs/dbraw/zinc/27/83/01/1118278301.db2.gz SWYKFNGBOZZBHC-CYBMUJFWSA-N 0 1 279.453 3.816 20 0 CHADMN Oc1cccc(CNCc2ccc(OC(F)(F)F)cc2)c1 ZINC000073866431 1118280000 /nfs/dbraw/zinc/28/00/00/1118280000.db2.gz OVOPLUWUYLDOAW-UHFFFAOYSA-N 0 1 297.276 3.581 20 0 CHADMN C[C@@H]1CCCCN1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000057847390 1118285408 /nfs/dbraw/zinc/28/54/08/1118285408.db2.gz LIIHKJPVLURQHJ-LLVKDONJSA-N 0 1 291.782 3.764 20 0 CHADMN C[C@H](NCc1ccc2c[nH]nc2c1)c1cccc(F)c1F ZINC000121933262 1118285423 /nfs/dbraw/zinc/28/54/23/1118285423.db2.gz FWDLZOWSPBDOBX-JTQLQIEISA-N 0 1 287.313 3.692 20 0 CHADMN C[C@H](NCc1c(F)cccc1Cl)[C@@]1(C)CCCO1 ZINC000340475739 1118286670 /nfs/dbraw/zinc/28/66/70/1118286670.db2.gz XZIYARXQCNHLDO-IINYFYTJSA-N 0 1 271.763 3.526 20 0 CHADMN CCc1nnc(CN(CCc2ccccc2)C2CCCC2)o1 ZINC000058398006 1118286968 /nfs/dbraw/zinc/28/69/68/1118286968.db2.gz ZFCGJFXPXXJWHV-UHFFFAOYSA-N 0 1 299.418 3.619 20 0 CHADMN Cc1cc(CN2Cc3ccccc3C2)c(C)cc1O ZINC001140197810 1118287201 /nfs/dbraw/zinc/28/72/01/1118287201.db2.gz UVGKFAAOIBYWFX-UHFFFAOYSA-N 0 1 253.345 3.525 20 0 CHADMN Cc1cc(CN[C@H]2C[C@@H](C(C)C)c3ccccc32)ncn1 ZINC000683692496 1118288267 /nfs/dbraw/zinc/28/82/67/1118288267.db2.gz SZIBNTIJOLBFSE-ROUUACIJSA-N 0 1 281.403 3.759 20 0 CHADMN O=C(c1cccc2[nH]cnc21)N1CC[C@@H](C2CCCCC2)C1 ZINC000618184686 1118297978 /nfs/dbraw/zinc/29/79/78/1118297978.db2.gz CWKQPBNPAFKAJW-CQSZACIVSA-N 0 1 297.402 3.605 20 0 CHADMN CCc1ccc(N2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000076059946 1128768303 /nfs/dbraw/zinc/76/83/03/1128768303.db2.gz PBLCEYVKOWWUPW-INIZCTEOSA-N 0 1 295.430 3.527 20 0 CHADMN CSc1cc(C)ccc1CNCc1ccc(F)nc1 ZINC000189143686 1128768347 /nfs/dbraw/zinc/76/83/47/1128768347.db2.gz ZOHKMFPAXGQKSX-UHFFFAOYSA-N 0 1 276.380 3.541 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]1CN1c2cccc3cccc(c23)C1=O ZINC000139940047 1118300313 /nfs/dbraw/zinc/30/03/13/1118300313.db2.gz YZSKSTLKYPGIQL-MRXNPFEDSA-N 0 1 294.398 3.878 20 0 CHADMN CC(C)[C@H]1CCCN1CN1c2cccc3cccc(c23)C1=O ZINC000139940047 1118300315 /nfs/dbraw/zinc/30/03/15/1118300315.db2.gz YZSKSTLKYPGIQL-MRXNPFEDSA-N 0 1 294.398 3.878 20 0 CHADMN C[C@@H](CCNc1cnn(-c2ccncc2)c1)c1ccccc1 ZINC000683708526 1118301595 /nfs/dbraw/zinc/30/15/95/1118301595.db2.gz TXQJSYSEZXAHHJ-HNNXBMFYSA-N 0 1 292.386 3.873 20 0 CHADMN COc1ccc(Cl)cc1CN1CCCC[C@H]1C ZINC000061758354 1118308672 /nfs/dbraw/zinc/30/86/72/1118308672.db2.gz SJHOHQIXMFBBRT-LLVKDONJSA-N 0 1 253.773 3.723 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H]1CCCc2ccc(O)cc21 ZINC000340501331 1118308933 /nfs/dbraw/zinc/30/89/33/1118308933.db2.gz XHSIHPFQLLKIDG-SJKOYZFVSA-N 0 1 298.386 3.524 20 0 CHADMN Cc1ccc2c(c1C)OC[C@@H]2N[C@@H](C)c1cccc(O)c1 ZINC000282255976 1118311502 /nfs/dbraw/zinc/31/15/02/1118311502.db2.gz JTFGUNZNETWYAS-GUYCJALGSA-N 0 1 283.371 3.793 20 0 CHADMN Fc1cccc(CN2CCC3(CCC3)CC2)c1F ZINC000671729572 1118314063 /nfs/dbraw/zinc/31/40/63/1118314063.db2.gz RAISBTXYJBQRTN-UHFFFAOYSA-N 0 1 251.320 3.731 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](C)c2ccc(F)c(F)c2)ccn1 ZINC000340523103 1118316464 /nfs/dbraw/zinc/31/64/64/1118316464.db2.gz DLBXDOUOQHROSY-WDEREUQCSA-N 0 1 292.329 3.780 20 0 CHADMN CCc1nc(C)c([C@H](C)N[C@H]2CCC[C@@H]2F)s1 ZINC000340525048 1118317174 /nfs/dbraw/zinc/31/71/74/1118317174.db2.gz LHZMMEOMQTXAEW-LSJOCFKGSA-N 0 1 256.390 3.555 20 0 CHADMN F[C@@H]1CCC[C@H]1N[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000340531807 1118321806 /nfs/dbraw/zinc/32/18/06/1118321806.db2.gz QGBQRBLZGBNHBC-SOLBZPMBSA-N 0 1 299.393 3.730 20 0 CHADMN CCc1ccc([C@@H](CO)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000090844244 1118327002 /nfs/dbraw/zinc/32/70/02/1118327002.db2.gz BNXMRNPLEFXEAU-FZKQIMNGSA-N 0 1 287.378 3.772 20 0 CHADMN C[C@@H](NCc1ccccc1F)c1ccc2[nH]c(=O)oc2c1 ZINC000671739367 1118328181 /nfs/dbraw/zinc/32/81/81/1118328181.db2.gz FICXGAXKYMDBRZ-SNVBAGLBSA-N 0 1 286.306 3.523 20 0 CHADMN CC[C@@H](C)C[C@H](CC)NCc1ncn(-c2ccccc2)n1 ZINC000340537636 1118333710 /nfs/dbraw/zinc/33/37/10/1118333710.db2.gz VUROUFRASGDDFN-CABCVRRESA-N 0 1 286.423 3.572 20 0 CHADMN COc1cccc2c1CCN(Cc1cccc(F)c1C)C2 ZINC001204514351 1118335941 /nfs/dbraw/zinc/33/59/41/1118335941.db2.gz WBOQLOKICXABHQ-UHFFFAOYSA-N 0 1 285.362 3.701 20 0 CHADMN CC(C)CN(C)Cc1csc(-c2ccccc2)n1 ZINC000065962366 1118340533 /nfs/dbraw/zinc/34/05/33/1118340533.db2.gz LBQSLLRMMBXXHA-UHFFFAOYSA-N 0 1 260.406 3.898 20 0 CHADMN CCCCN1CCc2c(Br)cccc2C1 ZINC000624366649 1118343421 /nfs/dbraw/zinc/34/34/21/1118343421.db2.gz JMGPJVFNOOHAMI-UHFFFAOYSA-N 0 1 268.198 3.607 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(CC(C)C)c2)ncn1 ZINC000671754243 1118346596 /nfs/dbraw/zinc/34/65/96/1118346596.db2.gz LCBUEJCBXFPVKX-OAHLLOKOSA-N 0 1 283.419 3.834 20 0 CHADMN CCOc1ccccc1CNCc1ccc2cnccc2c1 ZINC000683766599 1118347471 /nfs/dbraw/zinc/34/74/71/1118347471.db2.gz GEQYGMFMFYQVAD-UHFFFAOYSA-N 0 1 292.382 3.923 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@H](c3ccccc3)CC2)o1 ZINC000067231012 1118351606 /nfs/dbraw/zinc/35/16/06/1118351606.db2.gz SZEISSAEQDUHRL-INIZCTEOSA-N 0 1 299.418 3.963 20 0 CHADMN COc1cccc(CN[C@@H]2CSc3ccccc32)c1 ZINC000083748672 1118359685 /nfs/dbraw/zinc/35/96/85/1118359685.db2.gz SXDUXCCPQQMGGQ-OAHLLOKOSA-N 0 1 271.385 3.632 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000129437374 1118364137 /nfs/dbraw/zinc/36/41/37/1118364137.db2.gz HPNQNVRSAXBPQW-BETUJISGSA-N 0 1 289.423 3.861 20 0 CHADMN c1coc(CNCc2cccc(COCc3ccco3)c2)c1 ZINC000069679454 1118369376 /nfs/dbraw/zinc/36/93/76/1118369376.db2.gz PVCWBMMRFBXUOM-UHFFFAOYSA-N 0 1 297.354 3.879 20 0 CHADMN CCc1ccc([C@@H](NCc2ccno2)C(C)C)cc1 ZINC000071122824 1118372947 /nfs/dbraw/zinc/37/29/47/1118372947.db2.gz XFLTXMCMJLRILX-INIZCTEOSA-N 0 1 258.365 3.724 20 0 CHADMN C=CC(C)=CCC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000684835285 1118376042 /nfs/dbraw/zinc/37/60/42/1118376042.db2.gz MPXIDNRXFXKDCD-UXBLZVDNSA-N 0 1 285.347 3.747 20 0 CHADMN Cc1noc([C@@H](C)[N@H+]2C[C@H](c3ccc(C)cc3)C[C@H]2C)n1 ZINC000683800882 1118377151 /nfs/dbraw/zinc/37/71/51/1118377151.db2.gz SMHHFVOBBPLQQJ-XJKCOSOUSA-N 0 1 285.391 3.625 20 0 CHADMN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCC1CCCCCC1 ZINC000394530530 1118380045 /nfs/dbraw/zinc/38/00/45/1118380045.db2.gz JNFSSJNYCGJLJC-JYJNAYRXSA-N 0 1 279.424 3.532 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCCCC(=O)[O-] ZINC000083679634 1118382155 /nfs/dbraw/zinc/38/21/55/1118382155.db2.gz GFKSUPSKOHMFIE-LBPRGKRZSA-N 0 1 283.799 3.978 20 0 CHADMN CCCCN(Cc1nnc(-c2ccccc2)o1)C1CC1 ZINC000046602857 1118391503 /nfs/dbraw/zinc/39/15/03/1118391503.db2.gz KHFAMPOJYCNSSZ-UHFFFAOYSA-N 0 1 271.364 3.501 20 0 CHADMN Cc1ncc(CN(C)Cc2ccc3cnccc3c2)s1 ZINC000683826350 1118391872 /nfs/dbraw/zinc/39/18/72/1118391872.db2.gz PMKFBIVKEOCJES-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000683836245 1118401317 /nfs/dbraw/zinc/40/13/17/1118401317.db2.gz FVFKNXDOTVIDDT-AWEZNQCLSA-N 0 1 277.371 3.823 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1ccc2cnccc2c1 ZINC000683836245 1118401321 /nfs/dbraw/zinc/40/13/21/1118401321.db2.gz FVFKNXDOTVIDDT-AWEZNQCLSA-N 0 1 277.371 3.823 20 0 CHADMN FC(F)(F)c1ccccc1-c1cccc2[nH]nnc21 ZINC001239548270 1118402257 /nfs/dbraw/zinc/40/22/57/1118402257.db2.gz YRBRHYCLGGOPBQ-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN C[C@H]1C[C@@H]1CC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000580261716 1118411139 /nfs/dbraw/zinc/41/11/39/1118411139.db2.gz UHEBZLICTGISIZ-WDEREUQCSA-N 0 1 285.391 3.845 20 0 CHADMN C[C@@H]1C[C@H]1CC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000580261714 1118411192 /nfs/dbraw/zinc/41/11/92/1118411192.db2.gz UHEBZLICTGISIZ-MNOVXSKESA-N 0 1 285.391 3.845 20 0 CHADMN CC(C)[N@H+](CCC(=O)[O-])CCC1CCCCCC1 ZINC000394542451 1118413815 /nfs/dbraw/zinc/41/38/15/1118413815.db2.gz VFBYCQRXDCSZAK-UHFFFAOYSA-N 0 1 255.402 3.532 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CCCC[C@@H]1CC ZINC000048418758 1118417093 /nfs/dbraw/zinc/41/70/93/1118417093.db2.gz UGFNGWPTEADNIB-INIZCTEOSA-N 0 1 288.435 3.760 20 0 CHADMN Cc1ncsc1CN(C)C/C=C\c1ccc(F)cc1 ZINC000255362976 1118418218 /nfs/dbraw/zinc/41/82/18/1118418218.db2.gz CFOGWWHYUWOFLP-ARJAWSKDSA-N 0 1 276.380 3.736 20 0 CHADMN O=C1Nc2ccc(F)cc2/C1=C/c1ccc(O)c(Cl)c1 ZINC000255196407 1118426275 /nfs/dbraw/zinc/42/62/75/1118426275.db2.gz WEOHEQYLBSXDSJ-WZUFQYTHSA-N 0 1 289.693 3.677 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000683887054 1118427910 /nfs/dbraw/zinc/42/79/10/1118427910.db2.gz GKNUEGMQYKIZBK-UHFFFAOYSA-N 0 1 299.305 3.624 20 0 CHADMN Cc1nc(C)c(C[N@@H+](C)CCCCc2ccccc2)o1 ZINC000683898888 1118432790 /nfs/dbraw/zinc/43/27/90/1118432790.db2.gz QDXIUOCNWKWPHZ-UHFFFAOYSA-N 0 1 272.392 3.746 20 0 CHADMN C=C(Nc1cc(OC)ccc1OC)c1ccccc1 ZINC001210985447 1118434038 /nfs/dbraw/zinc/43/40/38/1118434038.db2.gz OTKRKVABPGOXEP-UHFFFAOYSA-N 0 1 255.317 3.787 20 0 CHADMN C=C(Nc1cc(C(=O)OCC)cnc1C)c1ccccc1 ZINC001210983562 1118434471 /nfs/dbraw/zinc/43/44/71/1118434471.db2.gz ZGTGMYSMQDOFOE-UHFFFAOYSA-N 0 1 282.343 3.650 20 0 CHADMN Cc1cccc([C@@H](c2noc([C@H]3CC[N@@H+](C)C3)n2)C(C)C)c1 ZINC000580378456 1118440910 /nfs/dbraw/zinc/44/09/10/1118440910.db2.gz KVKBNXZYEMMDIM-HOTGVXAUSA-N 0 1 299.418 3.585 20 0 CHADMN COc1cc(CN2CCC[C@H]2c2ccccn2)ccc1C ZINC000580400291 1118445416 /nfs/dbraw/zinc/44/54/16/1118445416.db2.gz MZOAJFRHCXBPNY-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN COCC[C@@H](NCc1ccc(CF)cc1)c1ccco1 ZINC000754459966 1118446936 /nfs/dbraw/zinc/44/69/36/1118446936.db2.gz BIBXADVQGGWWPM-OAHLLOKOSA-N 0 1 277.339 3.617 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cc2ccccc2[nH]1 ZINC000683929547 1118448290 /nfs/dbraw/zinc/44/82/90/1118448290.db2.gz MSWCEIKBFHADHS-JTQLQIEISA-N 0 1 269.348 3.624 20 0 CHADMN CCc1noc(CC)c1CNCc1cc2ccccc2[nH]1 ZINC000683928995 1118448353 /nfs/dbraw/zinc/44/83/53/1118448353.db2.gz NBPVBGKDTSPQQL-UHFFFAOYSA-N 0 1 283.375 3.571 20 0 CHADMN CC1(C)CC(NCc2c(F)c(F)cc(F)c2F)C1 ZINC000683941035 1118457698 /nfs/dbraw/zinc/45/76/98/1118457698.db2.gz MGAQDKFNORGHIQ-UHFFFAOYSA-N 0 1 261.262 3.521 20 0 CHADMN Fc1ccc(CN2CCC(C3CCOCC3)CC2)cc1F ZINC000153367361 1118460264 /nfs/dbraw/zinc/46/02/64/1118460264.db2.gz LABYEQJBHAKQGY-UHFFFAOYSA-N 0 1 295.373 3.603 20 0 CHADMN Cc1ccc([C@@H]2COCCN2C[C@@H]2CCCC[C@H]2C)o1 ZINC001167412572 1118467815 /nfs/dbraw/zinc/46/78/15/1118467815.db2.gz NRIBRLQJYPOXKF-KBMXLJTQSA-N 0 1 277.408 3.788 20 0 CHADMN Fc1cccc(OC(F)F)c1CN1C[C@@H]2CCC[C@@H]2C1 ZINC001207111752 1118471874 /nfs/dbraw/zinc/47/18/74/1118471874.db2.gz PKSVLEREWJUVGI-PHIMTYICSA-N 0 1 285.309 3.659 20 0 CHADMN COC[C@@H]1CCCN1CCc1cccc(Cl)c1Cl ZINC000683994735 1118480899 /nfs/dbraw/zinc/48/08/99/1118480899.db2.gz GGWYZNUQDXEANJ-LBPRGKRZSA-N 0 1 288.218 3.647 20 0 CHADMN C[C@@H](NC(=O)c1cccc(F)c1O)c1ccc(Cl)s1 ZINC001266625567 1118481882 /nfs/dbraw/zinc/48/18/82/1118481882.db2.gz KBUXBIVHRDHZKW-SSDOTTSWSA-N 0 1 299.754 3.737 20 0 CHADMN CC[C@@H](CN(C)Cc1ncc(Cl)n1C)c1ccccc1 ZINC000779159957 1118484863 /nfs/dbraw/zinc/48/48/63/1118484863.db2.gz AAGKNAJFAPJEMM-ZDUSSCGKSA-N 0 1 291.826 3.699 20 0 CHADMN COc1cnccc1Nc1ccc(-c2csc(C)n2)cc1 ZINC001211259706 1118490662 /nfs/dbraw/zinc/49/06/62/1118490662.db2.gz DVUZIRLNTFKFGZ-UHFFFAOYSA-N 0 1 297.383 3.688 20 0 CHADMN COc1ccnc([C@H](C)N[C@H]2c3cc(C)ccc3C[C@H]2C)c1 ZINC000926117074 1118493020 /nfs/dbraw/zinc/49/30/20/1118493020.db2.gz NXVCNNZTMVUJOM-BIENJYKASA-N 0 1 296.414 3.983 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](CO)c2ccsc2)cc(C)c1F ZINC000471615831 1118496898 /nfs/dbraw/zinc/49/68/98/1118496898.db2.gz XYLKVEDZNINIEN-WFASDCNBSA-N 0 1 293.407 3.888 20 0 CHADMN CC[C@@H]1CCCN(Cc2nc(-c3ccc(C)cc3)no2)C1 ZINC000048058619 1118507173 /nfs/dbraw/zinc/50/71/73/1118507173.db2.gz KJXCJQUUEIKPRV-CQSZACIVSA-N 0 1 285.391 3.667 20 0 CHADMN Cc1cccc(-c2noc(CN3C[C@H](C)C[C@@H](C)C3)n2)c1 ZINC000048060653 1118507507 /nfs/dbraw/zinc/50/75/07/1118507507.db2.gz SNJZDFKWTQYDBP-ZIAGYGMSSA-N 0 1 285.391 3.523 20 0 CHADMN CCCOc1ccccc1-n1c(N)nc2ccc(C)cc21 ZINC001211378310 1118507703 /nfs/dbraw/zinc/50/77/03/1118507703.db2.gz LYEDKSPWMTWVJI-UHFFFAOYSA-N 0 1 281.359 3.705 20 0 CHADMN [O-]c1cc(F)c(-c2ccc(C[NH+]3CCC3)cc2)cc1F ZINC001211360876 1118508121 /nfs/dbraw/zinc/50/81/21/1118508121.db2.gz YRKBXGACVRERBT-UHFFFAOYSA-N 0 1 275.298 3.543 20 0 CHADMN Cc1ccccc1[C@@H]1C[N@@H+](CCC2CCC2)[C@H](C)CO1 ZINC001167437475 1118516736 /nfs/dbraw/zinc/51/67/36/1118516736.db2.gz GXRNOXCDBOOMGI-QAPCUYQASA-N 0 1 273.420 3.947 20 0 CHADMN C[C@@H]1CC[N@@H+](C/C=C/c2ccc(Cl)cc2)[C@@H](C(=O)[O-])C1 ZINC000580899018 1118518088 /nfs/dbraw/zinc/51/80/88/1118518088.db2.gz XSHYDKHISYIFMA-FKZRYSJHSA-N 0 1 293.794 3.538 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](CO)c2ccsc2)c(C)c1 ZINC000349356589 1118520480 /nfs/dbraw/zinc/52/04/80/1118520480.db2.gz QXJTZUKFQBBPSP-CJNGLKHVSA-N 0 1 275.417 3.749 20 0 CHADMN CC1CCC([N@@H+](C)CC[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000580955986 1118529616 /nfs/dbraw/zinc/52/96/16/1118529616.db2.gz TWILAMJSJGLOHP-PREGVCBESA-N 0 1 289.419 3.755 20 0 CHADMN CCc1nocc1CN1CCc2ccccc2C1(C)C ZINC000660170969 1128783823 /nfs/dbraw/zinc/78/38/23/1128783823.db2.gz HPZOTSFEFDTHMH-UHFFFAOYSA-N 0 1 270.376 3.530 20 0 CHADMN COc1cc(F)c(F)cc1CN1CCCC[C@@H](C)C1 ZINC001143387788 1118536198 /nfs/dbraw/zinc/53/61/98/1118536198.db2.gz SZXWWOSZZYKLEZ-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN c1cc(CN2C3CCCC2CCC3)n(-c2ccccc2)n1 ZINC000684143121 1118539341 /nfs/dbraw/zinc/53/93/41/1118539341.db2.gz GPHKCDWDFUWALN-UHFFFAOYSA-N 0 1 281.403 3.779 20 0 CHADMN Oc1ccc(Cl)c(C[N@H+]2CCSC3(CCC3)CC2)c1 ZINC000625469519 1118550294 /nfs/dbraw/zinc/55/02/94/1118550294.db2.gz SSPDGEAABNPJPF-UHFFFAOYSA-N 0 1 297.851 3.907 20 0 CHADMN Oc1ccc(Cl)c(CN2CCSC3(CCC3)CC2)c1 ZINC000625469519 1118550295 /nfs/dbraw/zinc/55/02/95/1118550295.db2.gz SSPDGEAABNPJPF-UHFFFAOYSA-N 0 1 297.851 3.907 20 0 CHADMN CCC(C)(C)c1ccc(-c2nc([C@H]3CCCN3)no2)cc1 ZINC000647147076 1118550349 /nfs/dbraw/zinc/55/03/49/1118550349.db2.gz JQUDEAGUYUCQDX-CQSZACIVSA-N 0 1 285.391 3.849 20 0 CHADMN CC(C)Cn1cc(CN2CCC[C@H]2c2ccsc2)cn1 ZINC000340909338 1118551193 /nfs/dbraw/zinc/55/11/93/1118551193.db2.gz FULIDBMLILELOT-INIZCTEOSA-N 0 1 289.448 3.938 20 0 CHADMN CN(Cc1cn(CC2CCCCC2)nn1)C1CCCCC1 ZINC000656445530 1118552092 /nfs/dbraw/zinc/55/20/92/1118552092.db2.gz LNOXWSNWYYXXIF-UHFFFAOYSA-N 0 1 290.455 3.623 20 0 CHADMN c1ccc(C2CCC(c3nc([C@@H]4CCCN4)no3)CC2)cc1 ZINC000647149148 1118554498 /nfs/dbraw/zinc/55/44/98/1118554498.db2.gz FTMHCCJHLIAWSW-GPANFISMSA-N 0 1 297.402 3.936 20 0 CHADMN CCCc1ccc([C@H](NCc2cnccn2)C(C)C)cc1 ZINC000656469585 1118559709 /nfs/dbraw/zinc/55/97/09/1118559709.db2.gz BEMWOMZQXIZFQG-GOSISDBHSA-N 0 1 283.419 3.916 20 0 CHADMN Fc1cc2[nH]c(-c3ccnn3CC3CC3)nc2cc1Cl ZINC000656485109 1118563894 /nfs/dbraw/zinc/56/38/94/1118563894.db2.gz KPIABVPPBYBABV-UHFFFAOYSA-N 0 1 290.729 3.629 20 0 CHADMN Cc1cc2[nH]c([C@H]3CCC(F)(F)C3)nc(=O)c2s1 ZINC000656492046 1118565446 /nfs/dbraw/zinc/56/54/46/1118565446.db2.gz ULHFEBWYNQWOMF-ZETCQYMHSA-N 0 1 270.304 3.608 20 0 CHADMN Cc1noc([C@H](C)N2CC[C@@H](c3ccc(C)cc3C)C2)n1 ZINC000684210683 1118569845 /nfs/dbraw/zinc/56/98/45/1118569845.db2.gz AIXUWPZMEQLQKE-DZGCQCFKSA-N 0 1 285.391 3.545 20 0 CHADMN CCCCc1nc2ccc(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)cc2[nH]1 ZINC001125494829 1118574442 /nfs/dbraw/zinc/57/44/42/1118574442.db2.gz VKTZHNIRWDHWJF-ITGUQSILSA-N 0 1 297.402 3.890 20 0 CHADMN CO[C@@H]1CCC[C@H]1CNc1ccnc2cc(F)ccc21 ZINC000340996633 1118575043 /nfs/dbraw/zinc/57/50/43/1118575043.db2.gz PJILPTWHAUIZSR-MEDUHNTESA-N 0 1 274.339 3.601 20 0 CHADMN Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2c2ccccc2)n[nH]1 ZINC000616328941 1128786389 /nfs/dbraw/zinc/78/63/89/1128786389.db2.gz QUBIUNLUOMYDIF-WBVHZDCISA-N 0 1 297.402 3.517 20 0 CHADMN Cc1cnc(C[N@H+]2CCCC[C@H]2CCc2ccccc2)nc1 ZINC000341003735 1118578585 /nfs/dbraw/zinc/57/85/85/1118578585.db2.gz AAPJMCFJQAIFON-SFHVURJKSA-N 0 1 295.430 3.772 20 0 CHADMN Cc1cnc(CN2CCCC[C@H]2CCc2ccccc2)nc1 ZINC000341003735 1118578587 /nfs/dbraw/zinc/57/85/87/1118578587.db2.gz AAPJMCFJQAIFON-SFHVURJKSA-N 0 1 295.430 3.772 20 0 CHADMN Cc1cnc(CN[C@H](CC(C)C)c2ccccc2C)n1C ZINC000341020416 1118587303 /nfs/dbraw/zinc/58/73/03/1118587303.db2.gz VXMAPOBBEHEIED-QGZVFWFLSA-N 0 1 285.435 3.914 20 0 CHADMN Cc1ncn(-c2ccc(OC(C)C)c(C(F)(F)F)c2)c1N ZINC001215802492 1118592148 /nfs/dbraw/zinc/59/21/48/1118592148.db2.gz YONHQARWAVMSIH-UHFFFAOYSA-N 0 1 299.296 3.569 20 0 CHADMN CC1=CC[C@](C)(c2nc([C@@H](N)CC(C)C)no2)CC1 ZINC000656560741 1118595191 /nfs/dbraw/zinc/59/51/91/1118595191.db2.gz HEFPMUCXSBHZEE-WFASDCNBSA-N 0 1 263.385 3.503 20 0 CHADMN C1CC([C@H]2CC[C@H](c3nc([C@H]4CCCN4)no3)CC2)C1 ZINC000656560909 1118595210 /nfs/dbraw/zinc/59/52/10/1118595210.db2.gz LWCYAUKEEOCBMB-MGPQQGTHSA-N 0 1 275.396 3.568 20 0 CHADMN CC[C@@H](NC)c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000656559845 1118595703 /nfs/dbraw/zinc/59/57/03/1118595703.db2.gz ZNXWZQLXMWEKNJ-SECBINFHSA-N 0 1 286.162 3.714 20 0 CHADMN CCc1ccc([C@@H](CC)NCc2nccn2CC)cc1 ZINC000296583757 1118596956 /nfs/dbraw/zinc/59/69/56/1118596956.db2.gz UNKPJLHLFDWQFJ-MRXNPFEDSA-N 0 1 271.408 3.706 20 0 CHADMN CCCCC[C@H](C(=O)N1C[C@@H](C)N(CC)C[C@H]1C)C(C)C ZINC001127595018 1128787998 /nfs/dbraw/zinc/78/79/98/1128787998.db2.gz OLPMGKYSPZMAPS-ZACQAIPSSA-N 0 1 296.499 3.780 20 0 CHADMN Cc1cnc(CN[C@H](c2ccccc2)C(C)(C)C)n1C ZINC000341095261 1118602006 /nfs/dbraw/zinc/60/20/06/1118602006.db2.gz SNQXAIJOGDSFTH-MRXNPFEDSA-N 0 1 271.408 3.606 20 0 CHADMN CN(Cc1ccn(-c2ccccc2)n1)C[C@@H]1CC=CCC1 ZINC000510428689 1118605154 /nfs/dbraw/zinc/60/51/54/1118605154.db2.gz KJAIOBQPOPWVEQ-MRXNPFEDSA-N 0 1 281.403 3.660 20 0 CHADMN COc1cc(F)c(F)cc1CN1CCCCCCC1 ZINC001143394548 1118606341 /nfs/dbraw/zinc/60/63/41/1118606341.db2.gz GXWFVGBZHZIBJE-UHFFFAOYSA-N 0 1 269.335 3.740 20 0 CHADMN COc1cc(F)c(F)cc1CN1CC[C@@H](C)C[C@H]1C ZINC001143394645 1118606638 /nfs/dbraw/zinc/60/66/38/1118606638.db2.gz KLULAWLFFWQDEJ-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN C[C@@H]1CCN(Cc2sccc2Br)C[C@H]1C ZINC000253084691 1118610304 /nfs/dbraw/zinc/61/03/04/1118610304.db2.gz YZDHYJDEGZKXDO-NXEZZACHSA-N 0 1 288.254 3.989 20 0 CHADMN CCN(Cc1ncc(Br)s1)[C@@H](C)C(C)C ZINC000341178804 1118611634 /nfs/dbraw/zinc/61/16/34/1118611634.db2.gz QWNMCSLCIYVFBA-VIFPVBQESA-N 0 1 291.258 3.772 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cc(OC)ccn1 ZINC000114563785 1118616654 /nfs/dbraw/zinc/61/66/54/1118616654.db2.gz HJXAJQZQIHICKN-GOSISDBHSA-N 0 1 282.387 3.600 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2ccccc2F)o1 ZINC000656647725 1118618793 /nfs/dbraw/zinc/61/87/93/1118618793.db2.gz BKZBTGNVBPHVSW-BETUJISGSA-N 0 1 299.345 3.782 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2ccc(F)cc2)o1 ZINC000656647833 1118618951 /nfs/dbraw/zinc/61/89/51/1118618951.db2.gz LFJVWMJAEXOQIC-GASCZTMLSA-N 0 1 299.345 3.782 20 0 CHADMN Brc1ccc(C[N@H+]2CCC23CCCC3)cc1 ZINC000707111923 1118629865 /nfs/dbraw/zinc/62/98/65/1118629865.db2.gz KCTPARKWINZVKL-UHFFFAOYSA-N 0 1 280.209 3.968 20 0 CHADMN Brc1ccc(CN2CCC23CCCC3)cc1 ZINC000707111923 1118629866 /nfs/dbraw/zinc/62/98/66/1118629866.db2.gz KCTPARKWINZVKL-UHFFFAOYSA-N 0 1 280.209 3.968 20 0 CHADMN CCn1cc(CNCc2cccc(C(F)(F)F)c2)c(C)n1 ZINC000002536072 1118637026 /nfs/dbraw/zinc/63/70/26/1118637026.db2.gz YDFQDCOWKGHUOG-UHFFFAOYSA-N 0 1 297.324 3.520 20 0 CHADMN CC(C)COc1ccc(CN2CC3(CC(F)C3)C2)cc1 ZINC000656694296 1118638430 /nfs/dbraw/zinc/63/84/30/1118638430.db2.gz OJLVFZBRBGWMQC-UHFFFAOYSA-N 0 1 277.383 3.655 20 0 CHADMN C[C@@H](NC(=O)CN(C)[C@@H](C)c1ccccc1)c1ccccc1 ZINC000023039432 1118641198 /nfs/dbraw/zinc/64/11/98/1118641198.db2.gz MVPWIFIKXMZGDH-CVEARBPZSA-N 0 1 296.414 3.557 20 0 CHADMN O=C(CCN1CC[C@H]1c1ccc(F)cc1)Nc1ccccc1 ZINC000656708685 1118641482 /nfs/dbraw/zinc/64/14/82/1118641482.db2.gz PBCBLDLYIDNGJF-KRWDZBQOSA-N 0 1 298.361 3.601 20 0 CHADMN Clc1ccnc(CN2CCC23CCCCC3)c1 ZINC000707139920 1118643542 /nfs/dbraw/zinc/64/35/42/1118643542.db2.gz PWHFQZJNHUNWDC-UHFFFAOYSA-N 0 1 250.773 3.644 20 0 CHADMN Cc1ncccc1CN[C@H](C)c1ccc(F)cc1F ZINC000341261823 1118643822 /nfs/dbraw/zinc/64/38/22/1118643822.db2.gz DPZIGLVHPLIALC-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN FC1(CN2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 ZINC000684356248 1118644841 /nfs/dbraw/zinc/64/48/41/1118644841.db2.gz VHTKNJWZZBVYNG-GFCCVEGCSA-N 0 1 274.339 3.509 20 0 CHADMN FC(F)Oc1cc(CNCc2cccc(Cl)c2)ccn1 ZINC000341278916 1118650222 /nfs/dbraw/zinc/65/02/22/1118650222.db2.gz UYZTVRLJDQKMNQ-UHFFFAOYSA-N 0 1 298.720 3.626 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656760917 1118650763 /nfs/dbraw/zinc/65/07/63/1118650763.db2.gz KAAYSIOUMVPHRE-HUUCEWRRSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1ccnc(NCc2cn(C)nc2C(F)F)c1C1CC1 ZINC000656779278 1118655657 /nfs/dbraw/zinc/65/56/57/1118655657.db2.gz KLYFIMPXMDYEMM-UHFFFAOYSA-N 0 1 292.333 3.551 20 0 CHADMN CCc1cnc(CN[C@@H]2CC23CCCCC3)s1 ZINC000395039792 1118656010 /nfs/dbraw/zinc/65/60/10/1118656010.db2.gz FFXLYAPYLUULMP-GFCCVEGCSA-N 0 1 250.411 3.518 20 0 CHADMN COc1ccc(CNc2nccc(C)c2C2CC2)cc1 ZINC000656778887 1118656079 /nfs/dbraw/zinc/65/60/79/1118656079.db2.gz FIBLUHPIHRCFHZ-UHFFFAOYSA-N 0 1 268.360 3.888 20 0 CHADMN COc1ccc(CNc2nccc(C)c2C2CC2)cc1O ZINC000656779236 1118656093 /nfs/dbraw/zinc/65/60/93/1118656093.db2.gz JVZXREYRYTVNAJ-UHFFFAOYSA-N 0 1 284.359 3.594 20 0 CHADMN CCn1cccc1CNc1nccc(C)c1C1CC1 ZINC000656779398 1118656201 /nfs/dbraw/zinc/65/62/01/1118656201.db2.gz NVHUBCXEACAIDC-UHFFFAOYSA-N 0 1 255.365 3.701 20 0 CHADMN Cc1nc(C)c(CN[C@H](c2ccccn2)C(C)C)s1 ZINC000076902736 1128792230 /nfs/dbraw/zinc/79/22/30/1128792230.db2.gz UGSPEZSCUWROOU-HNNXBMFYSA-N 0 1 275.421 3.642 20 0 CHADMN CSCc1ccc(CN[C@@H](C)c2cncc(F)c2)cc1 ZINC000285592965 1118668302 /nfs/dbraw/zinc/66/83/02/1118668302.db2.gz WBSFIIGCYGDSGF-LBPRGKRZSA-N 0 1 290.407 3.935 20 0 CHADMN CC[C@H](C)N(Cc1ccccc1)C(=O)c1cnc(C2CC2)[nH]1 ZINC000341353682 1118672244 /nfs/dbraw/zinc/67/22/44/1118672244.db2.gz CTQKCRUXWCNBEY-ZDUSSCGKSA-N 0 1 297.402 3.728 20 0 CHADMN CCc1cnc(CN[C@@H](C)C2CCC(F)(F)CC2)o1 ZINC000684395570 1118678451 /nfs/dbraw/zinc/67/84/51/1118678451.db2.gz VHCIMTIFCUGECS-JTQLQIEISA-N 0 1 272.339 3.541 20 0 CHADMN CC(C)Cc1ccc(CN(C)Cc2cccc(=O)[nH]2)cc1 ZINC000933397384 1118684460 /nfs/dbraw/zinc/68/44/60/1118684460.db2.gz CMQJWZBWBJOTTJ-UHFFFAOYSA-N 0 1 284.403 3.618 20 0 CHADMN CCCCCCOCC(=O)Nc1cccc(Cl)c1O ZINC000077013017 1128793886 /nfs/dbraw/zinc/79/38/86/1128793886.db2.gz WTZTWFLNTVEQKO-UHFFFAOYSA-N 0 1 285.771 3.581 20 0 CHADMN Clc1oc2ccccc2c1CN1CC([C@H]2CCOC2)C1 ZINC000684415130 1118688479 /nfs/dbraw/zinc/68/84/79/1118688479.db2.gz CNJQKRCAYWZLIA-NSHDSACASA-N 0 1 291.778 3.555 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@H]2c2cccs2)o1 ZINC000891497724 1118696027 /nfs/dbraw/zinc/69/60/27/1118696027.db2.gz GNQFPUQPVFZAAC-LBPRGKRZSA-N 0 1 263.362 3.687 20 0 CHADMN COc1ccc(CN2CCC[C@H]2c2cccs2)o1 ZINC000891497724 1118696029 /nfs/dbraw/zinc/69/60/29/1118696029.db2.gz GNQFPUQPVFZAAC-LBPRGKRZSA-N 0 1 263.362 3.687 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccccc2)cnc1F ZINC000891504132 1118697858 /nfs/dbraw/zinc/69/78/58/1118697858.db2.gz PPKBMCRBVJIWIW-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN c1nnc(-c2cccc(-c3nc(C4CCCCC4)no3)c2)[nH]1 ZINC000124263099 1118715422 /nfs/dbraw/zinc/71/54/22/1118715422.db2.gz MTOIGCNVBZUJHP-UHFFFAOYSA-N 0 1 295.346 3.569 20 0 CHADMN Cc1ncccc1CNc1ccc(Cl)c(CN(C)C)c1 ZINC000341496567 1118717403 /nfs/dbraw/zinc/71/74/03/1118717403.db2.gz ZOGRIBCUNOLQKQ-UHFFFAOYSA-N 0 1 289.810 3.717 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CC1CCC(c2ccccc2)CC1 ZINC000650517458 1118722946 /nfs/dbraw/zinc/72/29/46/1118722946.db2.gz MEPMFMYBPSFZKH-PREGVCBESA-N 0 1 289.419 3.755 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1cccc(C)c1C)CCO2 ZINC000341535151 1118725799 /nfs/dbraw/zinc/72/57/99/1118725799.db2.gz NOYCMERQIJTCGW-GOSISDBHSA-N 0 1 297.398 3.925 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1c1ccccn1 ZINC000891629129 1118725846 /nfs/dbraw/zinc/72/58/46/1118725846.db2.gz BFKBUKOHKOCNSA-GOSISDBHSA-N 0 1 298.434 3.813 20 0 CHADMN C[C@@H]1Cc2cc(CN3CCC[C@@H]3c3ccccn3)ccc2O1 ZINC000891631832 1118726837 /nfs/dbraw/zinc/72/68/37/1118726837.db2.gz ZLZYILNFWNMJAA-RDTXWAMCSA-N 0 1 294.398 3.742 20 0 CHADMN C[C@H](N(C)Cc1nc(C(C)(C)C)co1)C(C)(C)C ZINC000891670780 1118734504 /nfs/dbraw/zinc/73/45/04/1118734504.db2.gz JSQLJWXEGPHROP-NSHDSACASA-N 0 1 252.402 3.839 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](C)c1cnc(C)s1 ZINC000090419312 1118735811 /nfs/dbraw/zinc/73/58/11/1118735811.db2.gz XSROAGDEYUYWCH-NSHDSACASA-N 0 1 276.405 3.619 20 0 CHADMN Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000021919490 1118738883 /nfs/dbraw/zinc/73/88/83/1118738883.db2.gz XXPXUWQJUQQVEZ-INIZCTEOSA-N 0 1 296.414 3.762 20 0 CHADMN COc1ncncc1CN[C@H](CC1CCC1)c1ccccc1 ZINC000647199901 1118741525 /nfs/dbraw/zinc/74/15/25/1118741525.db2.gz YDDJIQAFBRKERP-QGZVFWFLSA-N 0 1 297.402 3.506 20 0 CHADMN CCC[C@H]1CCCN(Cc2nc3cccnc3s2)C1 ZINC000341575498 1118744259 /nfs/dbraw/zinc/74/42/59/1118744259.db2.gz NKKUNNIWCCWEMQ-LBPRGKRZSA-N 0 1 275.421 3.703 20 0 CHADMN Cc1nocc1CN[C@H](c1cccc(F)c1)C(C)(C)C ZINC000293468190 1118746125 /nfs/dbraw/zinc/74/61/25/1118746125.db2.gz DTHWKCJPSLKMFZ-OAHLLOKOSA-N 0 1 276.355 3.999 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CCCO[C@H]1CC(C)C ZINC000926213337 1118749822 /nfs/dbraw/zinc/74/98/22/1118749822.db2.gz PIAOWISFNIQINU-DZKIICNBSA-N 0 1 292.423 3.544 20 0 CHADMN Fc1ccc(C[C@H]2CCC[N@H+]2Cc2nccn2C2CC2)cc1 ZINC000891770447 1118763018 /nfs/dbraw/zinc/76/30/18/1118763018.db2.gz KMCWTTDPPKOBDM-QGZVFWFLSA-N 0 1 299.393 3.564 20 0 CHADMN Fc1ccc(C[C@H]2CCCN2Cc2nccn2C2CC2)cc1 ZINC000891770447 1118763022 /nfs/dbraw/zinc/76/30/22/1118763022.db2.gz KMCWTTDPPKOBDM-QGZVFWFLSA-N 0 1 299.393 3.564 20 0 CHADMN CN(Cc1nc(C(C)(C)C)co1)C1Cc2ccccc2C1 ZINC000891785667 1118773582 /nfs/dbraw/zinc/77/35/82/1118773582.db2.gz DEQCTZILGAULNK-UHFFFAOYSA-N 0 1 284.403 3.571 20 0 CHADMN C[C@H](NCc1cncs1)c1ccc(F)c(Cl)c1 ZINC000133066379 1118773819 /nfs/dbraw/zinc/77/38/19/1118773819.db2.gz ZKPRHLGCBFKAHH-QMMMGPOBSA-N 0 1 270.760 3.786 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](Cc1ccc(O)c(F)c1)C1CC1 ZINC000891800796 1118780407 /nfs/dbraw/zinc/78/04/07/1118780407.db2.gz GLOFDJUEURTKRI-LLVKDONJSA-N 0 1 275.323 3.850 20 0 CHADMN C[C@H](c1ccco1)N(Cc1ccc(O)c(F)c1)C1CC1 ZINC000891800796 1118780410 /nfs/dbraw/zinc/78/04/10/1118780410.db2.gz GLOFDJUEURTKRI-LLVKDONJSA-N 0 1 275.323 3.850 20 0 CHADMN Cn1nccc1-c1ccccc1-c1nc2ccc(F)cc2[nH]1 ZINC000430921969 1118787445 /nfs/dbraw/zinc/78/74/45/1118787445.db2.gz WEEDQOPKKWPQDB-UHFFFAOYSA-N 0 1 292.317 3.770 20 0 CHADMN C[C@H](CN1C[C@H](C(F)(F)F)O[C@@H](C)C1)CC(C)(C)C ZINC001167493487 1118799427 /nfs/dbraw/zinc/79/94/27/1118799427.db2.gz ZBHNCMLSBSYNER-SDDRHHMPSA-N 0 1 281.362 3.710 20 0 CHADMN C[C@@H](Sc1nc(Cc2ccccc2)n[nH]1)c1ccncc1 ZINC000684534361 1118801791 /nfs/dbraw/zinc/80/17/91/1118801791.db2.gz PGUMQSJVUFXVLA-GFCCVEGCSA-N 0 1 296.399 3.644 20 0 CHADMN CC(C)(C)c1nc(CSc2ccc(N)cc2Cl)n[nH]1 ZINC000430978585 1118804862 /nfs/dbraw/zinc/80/48/62/1118804862.db2.gz KDLNKWOVEJXLLD-UHFFFAOYSA-N 0 1 296.827 3.630 20 0 CHADMN c1[nH]nc2cc(NCc3cccc4cccnc43)ccc12 ZINC000037134124 1118812777 /nfs/dbraw/zinc/81/27/77/1118812777.db2.gz YONKXZCZTTXTOB-UHFFFAOYSA-N 0 1 274.327 3.723 20 0 CHADMN FC(F)Oc1ccc(CNc2ccc3c[nH]nc3c2)cc1 ZINC000037134170 1118813489 /nfs/dbraw/zinc/81/34/89/1118813489.db2.gz RXUUSASDPXLVSL-UHFFFAOYSA-N 0 1 289.285 3.776 20 0 CHADMN C[C@@H](CCC(C)(C)C)NCc1nccc(C(F)F)n1 ZINC000348704503 1118814500 /nfs/dbraw/zinc/81/45/00/1118814500.db2.gz RHUHSIAASHSQIL-JTQLQIEISA-N 0 1 271.355 3.719 20 0 CHADMN COc1ccc(CN(C)Cc2cnn(C3CCC3)c2)cc1C ZINC000891871323 1118816655 /nfs/dbraw/zinc/81/66/55/1118816655.db2.gz IIFJAKUKZCCULQ-UHFFFAOYSA-N 0 1 299.418 3.557 20 0 CHADMN C[C@@H](NCc1ccccn1)c1ccc(Cl)c(F)c1 ZINC000213687222 1118825558 /nfs/dbraw/zinc/82/55/58/1118825558.db2.gz PZOZFCROQIUUTG-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN Cc1nc([C@@H](C)NCC2=CCCCC2)c(C)s1 ZINC000379566057 1128803336 /nfs/dbraw/zinc/80/33/36/1128803336.db2.gz GZKGOULSGSBKRL-SNVBAGLBSA-N 0 1 250.411 3.911 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C/C=C\c1ccncc1 ZINC000426164826 1118835868 /nfs/dbraw/zinc/83/58/68/1118835868.db2.gz ZSAAXOXBHSYEIQ-OGBTUMDISA-N 0 1 284.325 3.758 20 0 CHADMN CCCOc1ccc([C@@H](C)NCc2cncs2)cc1 ZINC000133081467 1118858771 /nfs/dbraw/zinc/85/87/71/1118858771.db2.gz GOFUWKVEXNRSLG-GFCCVEGCSA-N 0 1 276.405 3.783 20 0 CHADMN [O-]c1cccc2c(N3CC[C@@H](c4ccco4)C3)cc[nH+]c12 ZINC000684573651 1118859424 /nfs/dbraw/zinc/85/94/24/1118859424.db2.gz VLVYLFNHKINFPJ-GFCCVEGCSA-N 0 1 280.327 3.527 20 0 CHADMN C[C@H](CNc1cc[nH+]c2c([O-])cccc12)c1ccncc1 ZINC000684577078 1118861714 /nfs/dbraw/zinc/86/17/14/1118861714.db2.gz UPSJKBOXCYMWAL-GFCCVEGCSA-N 0 1 279.343 3.551 20 0 CHADMN Cc1ccccc1C1(NCc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000647224525 1118867926 /nfs/dbraw/zinc/86/79/26/1118867926.db2.gz LTKWCHBGADIJBT-UHFFFAOYSA-N 0 1 293.370 3.757 20 0 CHADMN CC[C@@H](C)N(CC)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000616984775 1128806532 /nfs/dbraw/zinc/80/65/32/1128806532.db2.gz NMMQTINIVBBHJE-CYBMUJFWSA-N 0 1 285.391 3.646 20 0 CHADMN CO[C@@H](CN[C@H](C)c1nccs1)c1ccccc1Cl ZINC000090453470 1118900781 /nfs/dbraw/zinc/90/07/81/1118900781.db2.gz GDGYKBIJRLVWQV-MFKMUULPSA-N 0 1 296.823 3.835 20 0 CHADMN Clc1cccc(CN(Cc2ccccn2)C2CC2)c1 ZINC000181304485 1118911307 /nfs/dbraw/zinc/91/13/07/1118911307.db2.gz PRVAZZLQLRNGNK-UHFFFAOYSA-N 0 1 272.779 3.900 20 0 CHADMN Cc1nc([C@H](C)NCCCC(=O)OC(C)(C)C)c(C)s1 ZINC000611012550 1118921069 /nfs/dbraw/zinc/92/10/69/1118921069.db2.gz VXYRRVZGNYYUPU-JTQLQIEISA-N 0 1 298.452 3.532 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1cnc(C)s1 ZINC000040997466 1118929225 /nfs/dbraw/zinc/92/92/25/1118929225.db2.gz WYMHXJLLPZHHAW-NSHDSACASA-N 0 1 276.405 3.701 20 0 CHADMN Cc1cc(F)ncc1CN1CC[C@@H](c2ccccc2F)C1 ZINC000891994428 1118931597 /nfs/dbraw/zinc/93/15/97/1118931597.db2.gz APALVVIVLCDNND-CYBMUJFWSA-N 0 1 288.341 3.658 20 0 CHADMN CO[C@H](CSc1nc(C(C)(C)C)n[nH]1)C1CCCCC1 ZINC000657243341 1118931959 /nfs/dbraw/zinc/93/19/59/1118931959.db2.gz SSHVPBOVFFQHIQ-GFCCVEGCSA-N 0 1 297.468 3.790 20 0 CHADMN CO[C@H](CSc1n[nH]c(C(C)(C)C)n1)C1CCCCC1 ZINC000657243341 1118931963 /nfs/dbraw/zinc/93/19/63/1118931963.db2.gz SSHVPBOVFFQHIQ-GFCCVEGCSA-N 0 1 297.468 3.790 20 0 CHADMN CCc1nc([C@H](C)Sc2nc3cc(C)ccc3o2)n[nH]1 ZINC000657250152 1118934276 /nfs/dbraw/zinc/93/42/76/1118934276.db2.gz VCVZDUSTDWBFIE-VIFPVBQESA-N 0 1 288.376 3.670 20 0 CHADMN C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@H]1C[C@@]1(C)Br ZINC000892010242 1118936499 /nfs/dbraw/zinc/93/64/99/1118936499.db2.gz SCAQBRVIAUAMHX-MPKXVKKWSA-N 0 1 298.224 3.559 20 0 CHADMN C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc2c1OCC2 ZINC000892010583 1118936943 /nfs/dbraw/zinc/93/69/43/1118936943.db2.gz XLVCUHQULNTFCF-ZDUSSCGKSA-N 0 1 283.371 3.520 20 0 CHADMN C[C@@H](c1cccc(O)c1)N(C)Cc1cccc2c1OCC2 ZINC000892010583 1118936944 /nfs/dbraw/zinc/93/69/44/1118936944.db2.gz XLVCUHQULNTFCF-ZDUSSCGKSA-N 0 1 283.371 3.520 20 0 CHADMN COc1ccccc1C1(NCc2ccsc2C)CC1 ZINC000647232793 1118942640 /nfs/dbraw/zinc/94/26/40/1118942640.db2.gz CYPPXIYBTVWSTL-UHFFFAOYSA-N 0 1 273.401 3.844 20 0 CHADMN Cc1ncc(CN[C@H](C)c2cccc(C(F)(F)F)c2)n1C ZINC000657286388 1118956850 /nfs/dbraw/zinc/95/68/50/1118956850.db2.gz PMOKELKDWMYOIV-SNVBAGLBSA-N 0 1 297.324 3.598 20 0 CHADMN C[C@H](NCc1ccnn1CC1CC1)c1cc2ccccc2o1 ZINC000657293326 1118962082 /nfs/dbraw/zinc/96/20/82/1118962082.db2.gz LURRXCNPGRCNHC-ZDUSSCGKSA-N 0 1 295.386 3.890 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccccc2-n2cccn2)o1 ZINC000151846301 1118973172 /nfs/dbraw/zinc/97/31/72/1118973172.db2.gz MJTYUJWTKFFWFQ-AWEZNQCLSA-N 0 1 281.359 3.625 20 0 CHADMN Cc1c[nH]c(CN(Cc2ccccc2)[C@@H](C)C2CC2)n1 ZINC000628119238 1128813244 /nfs/dbraw/zinc/81/32/44/1128813244.db2.gz IJDRAXGLVSVXSK-AWEZNQCLSA-N 0 1 269.392 3.519 20 0 CHADMN Cc1ccccc1Cc1noc([C@@H]2CCCN2C(C)C)n1 ZINC000923773323 1118979494 /nfs/dbraw/zinc/97/94/94/1118979494.db2.gz JGMNOXPKLNWMOX-HNNXBMFYSA-N 0 1 285.391 3.514 20 0 CHADMN Clc1cccc(C2(NCc3cncnc3)CCCC2)c1 ZINC000130398429 1118979503 /nfs/dbraw/zinc/97/95/03/1118979503.db2.gz DOIDKNSMWYTJGH-UHFFFAOYSA-N 0 1 287.794 3.689 20 0 CHADMN CC(C)(C)c1coc(CNC[C@H]2CCCC23CC3)n1 ZINC000724380446 1118983485 /nfs/dbraw/zinc/98/34/85/1118983485.db2.gz CPLFDJIRZQWLKX-GFCCVEGCSA-N 0 1 262.397 3.642 20 0 CHADMN Cc1c[nH]c(CN[C@H](CC(C)(C)C)c2ccccc2)n1 ZINC000657310413 1118983568 /nfs/dbraw/zinc/98/35/68/1118983568.db2.gz MDMSRQMPGLCVIQ-OAHLLOKOSA-N 0 1 271.408 3.985 20 0 CHADMN Cc1nc([C@@H](C)N(C)Cc2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000582048762 1118994657 /nfs/dbraw/zinc/99/46/57/1118994657.db2.gz CPJFGYRFYNYSLR-GFCCVEGCSA-N 0 1 286.423 3.604 20 0 CHADMN CCC1(NCc2nc(C(C)(C)C)co2)CCCC1 ZINC000724424963 1118999353 /nfs/dbraw/zinc/99/93/53/1118999353.db2.gz RJMZBCNTUXNYAL-UHFFFAOYSA-N 0 1 250.386 3.785 20 0 CHADMN COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@H]2C2CC2)c1 ZINC000611573916 1119002628 /nfs/dbraw/zinc/00/26/28/1119002628.db2.gz DITBIYXVSVHUQU-HNNXBMFYSA-N 0 1 293.794 3.501 20 0 CHADMN COc1cc(CN[C@@H](c2ncccc2C)C(C)(C)C)ccn1 ZINC000934293077 1119011155 /nfs/dbraw/zinc/01/11/55/1119011155.db2.gz VFHBAQGEPGEIAQ-KRWDZBQOSA-N 0 1 299.418 3.671 20 0 CHADMN CC(C)c1cnc(CNC[C@H]2COc3ccccc32)s1 ZINC000342417266 1119012246 /nfs/dbraw/zinc/01/22/46/1119012246.db2.gz MWZUPWWQZTWVRT-LBPRGKRZSA-N 0 1 288.416 3.532 20 0 CHADMN C[C@H]1Oc2ccccc2[C@H]1NCc1ccc2ncccc2c1 ZINC000342420528 1119015072 /nfs/dbraw/zinc/01/50/72/1119015072.db2.gz NMYWUPRIQHOLAA-YJYMSZOUSA-N 0 1 290.366 3.847 20 0 CHADMN C[C@@H](N[C@H]1CCC[C@@H]2C[C@@H]21)c1noc(-c2ccccc2)n1 ZINC000657347946 1119016529 /nfs/dbraw/zinc/01/65/29/1119016529.db2.gz ZWQNDQMFBQMRKO-RZFFKMDDSA-N 0 1 283.375 3.576 20 0 CHADMN CC[C@@H]1CCCC[C@H]1CN(C)Cc1nccn1C(F)F ZINC000628136908 1128816050 /nfs/dbraw/zinc/81/60/50/1128816050.db2.gz QOOYHZANGXHEJQ-OLZOCXBDSA-N 0 1 285.382 3.926 20 0 CHADMN CC[C@H](NCc1cc(COC)cs1)c1nc(C)cs1 ZINC000657350869 1119020825 /nfs/dbraw/zinc/02/08/25/1119020825.db2.gz XBAAPVSLMRNKOC-ZDUSSCGKSA-N 0 1 296.461 3.900 20 0 CHADMN CCCN(Cc1csc(-c2ccoc2)n1)C1CC1 ZINC000108372758 1119025358 /nfs/dbraw/zinc/02/53/58/1119025358.db2.gz UIAUWDNEXLORPK-UHFFFAOYSA-N 0 1 262.378 3.778 20 0 CHADMN COc1ccccc1-c1nc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)co1 ZINC000934338682 1119030239 /nfs/dbraw/zinc/03/02/39/1119030239.db2.gz HKIMZZCQOWKIAQ-BBRMVZONSA-N 0 1 298.386 3.725 20 0 CHADMN Cc1cc(CN(C)C[C@@H](C)c2ccc(C)cc2)no1 ZINC000628140553 1128816919 /nfs/dbraw/zinc/81/69/19/1128816919.db2.gz OOBVUQQAMNONNE-CYBMUJFWSA-N 0 1 258.365 3.527 20 0 CHADMN C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ncccc2[O-])C1 ZINC000582208180 1119033895 /nfs/dbraw/zinc/03/38/95/1119033895.db2.gz KUIXJIUWNXVYLI-PBHICJAKSA-N 0 1 282.387 3.760 20 0 CHADMN C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ncccc2[O-])C1 ZINC000582208180 1119033899 /nfs/dbraw/zinc/03/38/99/1119033899.db2.gz KUIXJIUWNXVYLI-PBHICJAKSA-N 0 1 282.387 3.760 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cc2ccncc2s1 ZINC000657369059 1119035775 /nfs/dbraw/zinc/03/57/75/1119035775.db2.gz WWVOLDMZVBEIPQ-VIFPVBQESA-N 0 1 287.388 3.752 20 0 CHADMN CCC[C@@H](NCc1noc(-c2cccs2)n1)C1CCC1 ZINC000657372593 1119037653 /nfs/dbraw/zinc/03/76/53/1119037653.db2.gz ZTWYADMRFGPHEV-GFCCVEGCSA-N 0 1 291.420 3.857 20 0 CHADMN Cc1c[nH]c(CNC2(c3cccc(Cl)c3)CCCC2)n1 ZINC000657397551 1119056396 /nfs/dbraw/zinc/05/63/96/1119056396.db2.gz AOXNZLNJBRXNTF-UHFFFAOYSA-N 0 1 289.810 3.931 20 0 CHADMN CCC(CC)CC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000582351613 1119056693 /nfs/dbraw/zinc/05/66/93/1119056693.db2.gz FHDDEFFXGWQPPP-UHFFFAOYSA-N 0 1 259.353 3.636 20 0 CHADMN C[C@H](N[C@@H]1CCOC12CCCC2)c1c(F)cccc1F ZINC000934389649 1119057845 /nfs/dbraw/zinc/05/78/45/1119057845.db2.gz BKYOZEOZXQMXAV-SMDDNHRTSA-N 0 1 281.346 3.717 20 0 CHADMN CC1(C)CN(Cc2noc(-c3ccccc3)n2)[C@H]2CCC[C@H]21 ZINC000582374055 1119061203 /nfs/dbraw/zinc/06/12/03/1119061203.db2.gz YLJRMGVHVQBESF-CABCVRRESA-N 0 1 297.402 3.747 20 0 CHADMN COC(=O)c1ccc(Cl)c(CN2CCCC2(C)C)c1 ZINC000511107437 1119064338 /nfs/dbraw/zinc/06/43/38/1119064338.db2.gz FHOHEOYRFOUTMM-UHFFFAOYSA-N 0 1 281.783 3.501 20 0 CHADMN CCOc1ccc(NC(=O)c2cccc3nc[nH]c32)c(C)c1 ZINC000342538982 1119073787 /nfs/dbraw/zinc/07/37/87/1119073787.db2.gz PUCOBHSOCJGSHK-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN Clc1cccc(C2(NCc3cncs3)CCC2)c1 ZINC000647251868 1119092278 /nfs/dbraw/zinc/09/22/78/1119092278.db2.gz NHCYXVOFMCQLBE-UHFFFAOYSA-N 0 1 278.808 3.966 20 0 CHADMN Cc1nccc(N2CC[C@@H](c3ccco3)C2)c1Cl ZINC000684890070 1119094107 /nfs/dbraw/zinc/09/41/07/1119094107.db2.gz UZCMTMXSZHDPHX-LLVKDONJSA-N 0 1 262.740 3.630 20 0 CHADMN Cc1nccc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)c1Cl ZINC000684890860 1119095342 /nfs/dbraw/zinc/09/53/42/1119095342.db2.gz RQOCUHWTAXRGPT-KBPBESRZSA-N 0 1 294.826 3.686 20 0 CHADMN C[C@@H](O)C[C@H]1CCCN1Cc1csc(C(F)(F)F)c1 ZINC000628178335 1128821341 /nfs/dbraw/zinc/82/13/41/1128821341.db2.gz MIIGYBZYOLEGHT-MWLCHTKSSA-N 0 1 293.354 3.502 20 0 CHADMN Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)n1 ZINC000342612705 1119101361 /nfs/dbraw/zinc/10/13/61/1119101361.db2.gz YSSPHJSHSKZRPE-LJQANCHMSA-N 0 1 295.430 3.793 20 0 CHADMN C[C@@]1(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)CCCS1 ZINC000628172324 1128821771 /nfs/dbraw/zinc/82/17/71/1128821771.db2.gz DMDDTTFHEUGRDO-IRXDYDNUSA-N 0 1 291.460 3.520 20 0 CHADMN COc1ccc(F)cc1CNCc1ccc(C)cc1C ZINC000237172832 1119105706 /nfs/dbraw/zinc/10/57/06/1119105706.db2.gz PRGYXJLUFNHZQK-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN C[C@H](O)C[C@@H]1CCCN1Cc1csc(C(F)(F)F)c1 ZINC000628178336 1128822032 /nfs/dbraw/zinc/82/20/32/1128822032.db2.gz MIIGYBZYOLEGHT-ONGXEEELSA-N 0 1 293.354 3.502 20 0 CHADMN CC[C@@H]1C[C@H](NCc2ccc(-c3ccco3)cc2F)CO1 ZINC000657456526 1119109376 /nfs/dbraw/zinc/10/93/76/1119109376.db2.gz ZWCPOOXTUPSAHD-LSDHHAIUSA-N 0 1 289.350 3.743 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1[C@@H](C)CCC[C@@H]1C ZINC000342646999 1119111420 /nfs/dbraw/zinc/11/14/20/1119111420.db2.gz DOXJZLZBSHMERE-STQMWFEESA-N 0 1 289.398 3.958 20 0 CHADMN Cc1nc2ccc(CSc3ccncc3)cc2[nH]1 ZINC000342651718 1119113606 /nfs/dbraw/zinc/11/36/06/1119113606.db2.gz GYHPUUKIHKAMAJ-UHFFFAOYSA-N 0 1 255.346 3.559 20 0 CHADMN COc1cc(C)cc(CN[C@H](C)c2cc(C)ccn2)c1 ZINC000286002775 1119118160 /nfs/dbraw/zinc/11/81/60/1119118160.db2.gz HRPKYDRVEPSULF-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN CCCn1nccc1CN[C@@H]1CCCc2c(F)cccc21 ZINC000657476744 1119120124 /nfs/dbraw/zinc/12/01/24/1119120124.db2.gz LHDKERWBCRNTJN-QGZVFWFLSA-N 0 1 287.382 3.599 20 0 CHADMN CC[C@@H]1[C@H](C)CCN1Cc1ncc(CSC)s1 ZINC000352943386 1119123127 /nfs/dbraw/zinc/12/31/27/1119123127.db2.gz CLMQZEOTQRLBNX-ZYHUDNBSSA-N 0 1 270.467 3.627 20 0 CHADMN COc1ncnc(Cl)c1Nc1ccnc(C(C)(C)C)c1 ZINC001213160995 1119125673 /nfs/dbraw/zinc/12/56/73/1119125673.db2.gz XFMXONSYKSTODI-UHFFFAOYSA-N 0 1 292.770 3.575 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cc(C(F)(F)F)nn2C)c1 ZINC000657487323 1119126565 /nfs/dbraw/zinc/12/65/65/1119126565.db2.gz TTWRGBYCGDCLJM-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN CCc1cccc2cc(CNCc3ccc(CO)cc3)oc21 ZINC000657497990 1119132763 /nfs/dbraw/zinc/13/27/63/1119132763.db2.gz JBADLCIDQOIZME-UHFFFAOYSA-N 0 1 295.382 3.777 20 0 CHADMN CC[C@H]1CCCCN1CC(=O)Nc1cccc(Cl)c1C ZINC000023991213 1119133485 /nfs/dbraw/zinc/13/34/85/1119133485.db2.gz JKTYHCMPURVNFY-ZDUSSCGKSA-N 0 1 294.826 3.851 20 0 CHADMN C[C@H]1SCC[C@@H]1NCc1csc(-c2cccs2)n1 ZINC000647258081 1119137505 /nfs/dbraw/zinc/13/75/05/1119137505.db2.gz MSJAUJUQLXNXGQ-KOLCDFICSA-N 0 1 296.486 3.855 20 0 CHADMN c1c2ccccc2oc1CN[C@@H]1CCCc2cccnc21 ZINC000684953904 1119140845 /nfs/dbraw/zinc/14/08/45/1119140845.db2.gz VVAZANQSGPHBQB-MRXNPFEDSA-N 0 1 278.355 3.995 20 0 CHADMN Fc1ccc(C2(N[C@@H]3CCCc4cccnc43)CC2)cc1 ZINC000684960614 1119144109 /nfs/dbraw/zinc/14/41/09/1119144109.db2.gz JQEZHHPZZWMJMQ-MRXNPFEDSA-N 0 1 282.362 3.877 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@@H]1CCCc2cccnc21 ZINC000684960802 1119144356 /nfs/dbraw/zinc/14/43/56/1119144356.db2.gz TZEZEQIAOAXGHD-SUMWQHHRSA-N 0 1 281.403 3.767 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCCc2sccc2C1 ZINC000684964642 1119144872 /nfs/dbraw/zinc/14/48/72/1119144872.db2.gz OYCMSFRVUHMCOE-UHFFFAOYSA-N 0 1 289.448 3.782 20 0 CHADMN Fc1cncc([C@H](NCc2cc(F)cc(F)c2)C2CC2)c1 ZINC000342737130 1119149343 /nfs/dbraw/zinc/14/93/43/1119149343.db2.gz MXZNAFNYCSNVNK-MRXNPFEDSA-N 0 1 292.304 3.740 20 0 CHADMN c1csc(-c2cnc(CN3C[C@@H]4CCC[C@H]4C3)o2)c1 ZINC000153002493 1119151994 /nfs/dbraw/zinc/15/19/94/1119151994.db2.gz FETGOZAILIIINY-RYUDHWBXSA-N 0 1 274.389 3.635 20 0 CHADMN C[C@@H](N[C@H]1CCc2ccccc2C1)c1nc(C(C)(C)C)no1 ZINC000237368650 1119158046 /nfs/dbraw/zinc/15/80/46/1119158046.db2.gz WYTBIJQHYIHXBV-DOMZBBRYSA-N 0 1 299.418 3.575 20 0 CHADMN CC[C@@H](CN(CC)Cc1ncc(C)n1C)c1ccccc1 ZINC000342768967 1119159242 /nfs/dbraw/zinc/15/92/42/1119159242.db2.gz OUUYDONJKLYMMP-INIZCTEOSA-N 0 1 285.435 3.744 20 0 CHADMN Cc1ccc(CNCc2ccc(Br)o2)s1 ZINC000050225128 1119160465 /nfs/dbraw/zinc/16/04/65/1119160465.db2.gz UNWZLKRSVGQRQV-UHFFFAOYSA-N 0 1 286.194 3.702 20 0 CHADMN CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H](C)C1 ZINC001167603252 1119162060 /nfs/dbraw/zinc/16/20/60/1119162060.db2.gz VADIYOJNQXOKAG-LLVKDONJSA-N 0 1 253.773 3.581 20 0 CHADMN CCOc1cccc(Cl)c1CN1CC[C@@H](C)C1 ZINC001167603252 1119162062 /nfs/dbraw/zinc/16/20/62/1119162062.db2.gz VADIYOJNQXOKAG-LLVKDONJSA-N 0 1 253.773 3.581 20 0 CHADMN Cc1nc2ccc(NC(=O)C[C@@H](C)C(C)(C)C)cc2[nH]1 ZINC000342785867 1119166575 /nfs/dbraw/zinc/16/65/75/1119166575.db2.gz UCSRCANINBKTTE-SNVBAGLBSA-N 0 1 273.380 3.882 20 0 CHADMN CCc1cnc(CN([C@H](C)[C@@H](C)CC)C2CC2)o1 ZINC000075717347 1119176400 /nfs/dbraw/zinc/17/64/00/1119176400.db2.gz VAURGUFBRNPZFV-NWDGAFQWSA-N 0 1 250.386 3.636 20 0 CHADMN Cc1ccccc1-c1cnc(C[N@@H+](C)CC2CCC2)o1 ZINC000075738473 1119177196 /nfs/dbraw/zinc/17/71/96/1119177196.db2.gz BPPVTVFJNLRFAM-UHFFFAOYSA-N 0 1 270.376 3.882 20 0 CHADMN Cc1ccccc1-c1cnc(CN(C)CC2CCC2)o1 ZINC000075738473 1119177198 /nfs/dbraw/zinc/17/71/98/1119177198.db2.gz BPPVTVFJNLRFAM-UHFFFAOYSA-N 0 1 270.376 3.882 20 0 CHADMN C[C@@H]1CCCCCN1Cc1nc(CCc2ccccc2)no1 ZINC000075744586 1119177414 /nfs/dbraw/zinc/17/74/14/1119177414.db2.gz OXIDBLZYXDBWOT-OAHLLOKOSA-N 0 1 299.418 3.619 20 0 CHADMN CCc1cnc(CN(C2CC2)C2CCC(C)CC2)o1 ZINC000075641512 1119178691 /nfs/dbraw/zinc/17/86/91/1119178691.db2.gz DRFOEQXDTRUITM-UHFFFAOYSA-N 0 1 262.397 3.780 20 0 CHADMN CCC1(O)CCN([C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000075859737 1119179388 /nfs/dbraw/zinc/17/93/88/1119179388.db2.gz RTHXAFAMORJVTC-NSHDSACASA-N 0 1 285.790 3.777 20 0 CHADMN CCc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000075702392 1119179852 /nfs/dbraw/zinc/17/98/52/1119179852.db2.gz HKODJDVYCPPQTG-UHFFFAOYSA-N 0 1 266.388 3.809 20 0 CHADMN CCc1ccc(CN(Cc2cccnc2)C2CC2)cc1 ZINC000075702392 1119179854 /nfs/dbraw/zinc/17/98/54/1119179854.db2.gz HKODJDVYCPPQTG-UHFFFAOYSA-N 0 1 266.388 3.809 20 0 CHADMN CN(Cc1ccccc1Cl)[C@@H](CCO)c1ccccc1 ZINC000075899616 1119180453 /nfs/dbraw/zinc/18/04/53/1119180453.db2.gz TXZWMBXGJDUOPW-KRWDZBQOSA-N 0 1 289.806 3.896 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)N1CCC(C)(C)C1 ZINC000076015148 1119181272 /nfs/dbraw/zinc/18/12/72/1119181272.db2.gz SOEWDAKXWRTIBM-SNVBAGLBSA-N 0 1 277.393 3.591 20 0 CHADMN CC[C@@H](COCC1CC1)NCc1csc(C(C)(C)C)n1 ZINC000657560495 1119184492 /nfs/dbraw/zinc/18/44/92/1119184492.db2.gz IWXINTSDKBFUIG-ZDUSSCGKSA-N 0 1 296.480 3.735 20 0 CHADMN Cc1cnc(CN2CCC[C@H]2c2cccc(C)c2C)n1C ZINC000342810489 1119186548 /nfs/dbraw/zinc/18/65/48/1119186548.db2.gz WJXGYSMOTXYXIY-KRWDZBQOSA-N 0 1 283.419 3.682 20 0 CHADMN CCSc1ccccc1[C@@H](C)NCc1cc(C)nn1C ZINC000342811866 1119187517 /nfs/dbraw/zinc/18/75/17/1119187517.db2.gz WQIKATHXAOKSSZ-CYBMUJFWSA-N 0 1 289.448 3.691 20 0 CHADMN Cc1cc(CN[C@H](CC(C)C)c2ccccc2)nc(C)n1 ZINC000342811965 1119187824 /nfs/dbraw/zinc/18/78/24/1119187824.db2.gz IQYGYWINJIHZMX-GOSISDBHSA-N 0 1 283.419 3.970 20 0 CHADMN Cc1ccc(CNCc2cccnc2N2CCCC2)cc1C ZINC000657569793 1119188290 /nfs/dbraw/zinc/18/82/90/1119188290.db2.gz CIBDFEVPTFVBDD-UHFFFAOYSA-N 0 1 295.430 3.588 20 0 CHADMN CCc1c(NC(=O)CC2CCCC2)[nH]nc1-c1ccncc1 ZINC000076879653 1119188334 /nfs/dbraw/zinc/18/83/34/1119188334.db2.gz MDUMYGPONUXQHS-UHFFFAOYSA-N 0 1 298.390 3.553 20 0 CHADMN CCO[C@H](C)c1nc(CN2CCC[C@@H]2C(C)C)cs1 ZINC000076722575 1119189350 /nfs/dbraw/zinc/18/93/50/1119189350.db2.gz ULWIBOWMUQJZLN-TZMCWYRMSA-N 0 1 282.453 3.861 20 0 CHADMN Cc1ncc(C(=O)N(CC2CCC2)[C@H](C)c2ccccc2)[nH]1 ZINC000077648601 1119195299 /nfs/dbraw/zinc/19/52/99/1119195299.db2.gz UMSDDRQPCGJYTP-CYBMUJFWSA-N 0 1 297.402 3.722 20 0 CHADMN CC[C@@H](CNCc1cnc(C)o1)Oc1ccccc1Cl ZINC000628227536 1128831050 /nfs/dbraw/zinc/83/10/50/1128831050.db2.gz JRCJXSHRYGEDNR-LBPRGKRZSA-N 0 1 294.782 3.584 20 0 CHADMN CC(C)(NCCSc1ccccc1)c1nccs1 ZINC000118847736 1119196944 /nfs/dbraw/zinc/19/69/44/1119196944.db2.gz CAFWATQFKSRKFD-UHFFFAOYSA-N 0 1 278.446 3.760 20 0 CHADMN COc1cccc(OC)c1CNCc1cc(C)cc(C)c1 ZINC000657585629 1119200219 /nfs/dbraw/zinc/20/02/19/1119200219.db2.gz MNFKEQVUVBXLKW-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000342832091 1119200457 /nfs/dbraw/zinc/20/04/57/1119200457.db2.gz REBNUDOVIQNSSJ-CYBMUJFWSA-N 0 1 297.402 3.728 20 0 CHADMN COc1c(O)cccc1CN1CCC=C(c2ccccc2)C1 ZINC000342833920 1119201923 /nfs/dbraw/zinc/20/19/23/1119201923.db2.gz CJNJBFSQAUMZTB-UHFFFAOYSA-N 0 1 295.382 3.690 20 0 CHADMN Cc1nc2ccc(Nc3c(F)c(F)nc(F)c3F)cc2[nH]1 ZINC001213070361 1128828935 /nfs/dbraw/zinc/82/89/35/1128828935.db2.gz MEKVCXLZFLPJRK-UHFFFAOYSA-N 0 1 296.227 3.566 20 0 CHADMN COC[C@@H](NCc1ccc(C)c(C)c1)c1cccc(OC)c1 ZINC000657611813 1119206943 /nfs/dbraw/zinc/20/69/43/1119206943.db2.gz QMDVKBAXIKVYCC-LJQANCHMSA-N 0 1 299.414 3.789 20 0 CHADMN Oc1ccc([C@H]2CCCN2Cc2cnc(C3CC3)o2)cc1 ZINC000628154271 1119209002 /nfs/dbraw/zinc/20/90/02/1119209002.db2.gz SFSLSDIPKWYQMJ-MRXNPFEDSA-N 0 1 284.359 3.595 20 0 CHADMN FC1(F)C[C@H]1OCCNCc1c(Cl)cccc1Cl ZINC000657618445 1119210056 /nfs/dbraw/zinc/21/00/56/1119210056.db2.gz UFHKGNFYKZZSTD-LLVKDONJSA-N 0 1 296.144 3.507 20 0 CHADMN C[C@@H](O)CN(Cc1csc(C2CC2)n1)C1CCCCC1 ZINC000305619856 1119210247 /nfs/dbraw/zinc/21/02/47/1119210247.db2.gz HCRAPLUEAOHIOP-GFCCVEGCSA-N 0 1 294.464 3.536 20 0 CHADMN CCN(Cc1ccnc(OC)c1)[C@@H](C)c1ccc(F)cc1 ZINC000342857192 1119211471 /nfs/dbraw/zinc/21/14/71/1119211471.db2.gz JSIDFIIDIUQSEE-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN Cc1ncc(CN2CCC(OCC3CCCCC3)CC2)o1 ZINC000628158234 1119215936 /nfs/dbraw/zinc/21/59/36/1119215936.db2.gz INZZXKPLDSRCBF-UHFFFAOYSA-N 0 1 292.423 3.544 20 0 CHADMN CSCC(C)(C)NCc1coc(-c2ccccc2F)n1 ZINC000934665171 1119223799 /nfs/dbraw/zinc/22/37/99/1119223799.db2.gz XKQLVMUEGWOZFA-UHFFFAOYSA-N 0 1 294.395 3.712 20 0 CHADMN CCc1ccc([C@@H](C)NCc2sc(C)nc2C)o1 ZINC000119912514 1119225192 /nfs/dbraw/zinc/22/51/92/1119225192.db2.gz XDXMDDKKRYPUAC-SECBINFHSA-N 0 1 264.394 3.766 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cccc(N(C)C)c2)o1 ZINC000119945091 1119226327 /nfs/dbraw/zinc/22/63/27/1119226327.db2.gz DZMVFYMHKMSRPP-CYBMUJFWSA-N 0 1 272.392 3.759 20 0 CHADMN C[C@@H]1CCC[C@H](CNCc2c(F)cccc2Cl)O1 ZINC000657662370 1119228960 /nfs/dbraw/zinc/22/89/60/1119228960.db2.gz BDPZKXPLOYCBKT-GHMZBOCLSA-N 0 1 271.763 3.526 20 0 CHADMN COCc1csc(CNCc2cccc(C)c2F)c1 ZINC000657659727 1119229986 /nfs/dbraw/zinc/22/99/86/1119229986.db2.gz UDLMLYPLVFHFCK-UHFFFAOYSA-N 0 1 279.380 3.632 20 0 CHADMN c1ccc2c(c1)Oc1ccccc1C2N[C@@H]1CCSC1 ZINC000226619536 1119233171 /nfs/dbraw/zinc/23/31/71/1119233171.db2.gz WWHOIXVVFKLPBX-GFCCVEGCSA-N 0 1 283.396 3.977 20 0 CHADMN Cc1cc2cc(CN3CCSCC3)oc2cc1C ZINC000349790889 1119233824 /nfs/dbraw/zinc/23/38/24/1119233824.db2.gz ONDCSRHPJCVJTQ-UHFFFAOYSA-N 0 1 261.390 3.598 20 0 CHADMN Oc1ccc2c(c1)[C@H](NCc1ccc(Cl)s1)CC2 ZINC000657691348 1119248767 /nfs/dbraw/zinc/24/87/67/1119248767.db2.gz DKRAGESGCIRCIX-CYBMUJFWSA-N 0 1 279.792 3.884 20 0 CHADMN Oc1ccc2c(c1)[C@@H](NCc1scnc1C1CC1)CC2 ZINC000657692765 1119250000 /nfs/dbraw/zinc/25/00/00/1119250000.db2.gz DBTFJYIBOPCVLM-AWEZNQCLSA-N 0 1 286.400 3.503 20 0 CHADMN C[C@H](N[C@@H]1CCC(C)(C)c2ccccc21)c1ncc[nH]1 ZINC000138964170 1119252330 /nfs/dbraw/zinc/25/23/30/1119252330.db2.gz NEWYQGXJMWQCLP-SWLSCSKDSA-N 0 1 269.392 3.873 20 0 CHADMN C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc2c(c1)ncn2C ZINC000342938238 1119256084 /nfs/dbraw/zinc/25/60/84/1119256084.db2.gz KURCYNYIRKAKBJ-AWEZNQCLSA-N 0 1 291.398 3.520 20 0 CHADMN CN(Cc1cc(Cl)ncc1F)CC1CCCCC1 ZINC001140608640 1119265952 /nfs/dbraw/zinc/26/59/52/1119265952.db2.gz FQBMNVDAQASTFO-UHFFFAOYSA-N 0 1 270.779 3.886 20 0 CHADMN Cc1nc(CN2CC[C@@](C)(CCc3ccccc3)C2)[nH]c1C ZINC000628186233 1119269200 /nfs/dbraw/zinc/26/92/00/1119269200.db2.gz CIWCGXDCZMPDPA-LJQANCHMSA-N 0 1 297.446 3.871 20 0 CHADMN CO[C@@H]1CCCN(Cc2cc(C)cc(C(F)(F)F)c2)C1 ZINC001143448622 1119274882 /nfs/dbraw/zinc/27/48/82/1119274882.db2.gz QHIQFKHIYCJNJA-CQSZACIVSA-N 0 1 287.325 3.625 20 0 CHADMN O=C(c1cc(C(F)F)[nH]n1)N1CCC[C@H]1CC1CCCC1 ZINC000640636812 1119279240 /nfs/dbraw/zinc/27/92/40/1119279240.db2.gz ASXJINKVMTWOQN-NSHDSACASA-N 0 1 297.349 3.532 20 0 CHADMN CCCN(Cc1nc2sc(C)c(C)c2c(N)n1)C(C)C ZINC000050813135 1119279393 /nfs/dbraw/zinc/27/93/93/1119279393.db2.gz KNHPMWPHBAVKPU-UHFFFAOYSA-N 0 1 292.452 3.511 20 0 CHADMN COc1cccc([C@H]2C[C@H](C)CN2Cc2cnc(C)o2)c1 ZINC000628237096 1128834519 /nfs/dbraw/zinc/83/45/19/1128834519.db2.gz ASLDDZFNIJMZGT-YVEFUNNKSA-N 0 1 286.375 3.575 20 0 CHADMN Clc1cccc(CN[C@H]2CCCc3cccnc32)c1 ZINC000091661545 1119280310 /nfs/dbraw/zinc/28/03/10/1119280310.db2.gz FYAUQONXZVFAOP-HNNXBMFYSA-N 0 1 272.779 3.902 20 0 CHADMN C[C@H](c1ccccn1)N(C)CCOC1CCCCCC1 ZINC000091703580 1119283372 /nfs/dbraw/zinc/28/33/72/1119283372.db2.gz APQVJYZFYIEJKW-OAHLLOKOSA-N 0 1 276.424 3.814 20 0 CHADMN CCc1nc([C@@H](C)NCCc2ccccc2F)cs1 ZINC000122640500 1119284000 /nfs/dbraw/zinc/28/40/00/1119284000.db2.gz NGEOXHZXZLTFOU-LLVKDONJSA-N 0 1 278.396 3.738 20 0 CHADMN Cc1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)cn1 ZINC000153790747 1119287747 /nfs/dbraw/zinc/28/77/47/1119287747.db2.gz CBYZJHIXKYUKRB-LJQANCHMSA-N 0 1 296.414 3.571 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@@H](C)N1CC[C@H](C)[C@H](C)C1 ZINC000123047397 1119290243 /nfs/dbraw/zinc/29/02/43/1119290243.db2.gz VJJYFLBXBJNCCH-APHBMKBZSA-N 0 1 288.435 3.608 20 0 CHADMN Cc1nc2ccc(NC(=O)CC3CC(C)(C)C3)cc2[nH]1 ZINC000343064089 1119295373 /nfs/dbraw/zinc/29/53/73/1119295373.db2.gz JNUPRJZSZXLVOZ-UHFFFAOYSA-N 0 1 271.364 3.636 20 0 CHADMN Cn1ccc(CN[C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000343063542 1119295410 /nfs/dbraw/zinc/29/54/10/1119295410.db2.gz IBGWIHSBKFMSMW-AWEZNQCLSA-N 0 1 282.309 3.808 20 0 CHADMN CCC(CC)CN1CCO[C@H](c2ccsc2)C1 ZINC000153922210 1119297025 /nfs/dbraw/zinc/29/70/25/1119297025.db2.gz IVZUUUHKAUPVDN-AWEZNQCLSA-N 0 1 253.411 3.558 20 0 CHADMN Cc1ccc(CN2CCSC3(CCCCC3)C2)cn1 ZINC000153965274 1119298121 /nfs/dbraw/zinc/29/81/21/1119298121.db2.gz ASXNAFULENXYCJ-UHFFFAOYSA-N 0 1 276.449 3.642 20 0 CHADMN CCc1ccc(CN(C)C(=O)c2c(C)n[nH]c2C(C)C)cc1 ZINC000343092995 1119307972 /nfs/dbraw/zinc/30/79/72/1119307972.db2.gz VBFFQRLITGOGEV-UHFFFAOYSA-N 0 1 299.418 3.676 20 0 CHADMN CC(C)c1cccc(CN2CCOC(C)(C)[C@@H]2C)c1 ZINC001167657999 1119310621 /nfs/dbraw/zinc/31/06/21/1119310621.db2.gz BDZMWLDTYDARSA-AWEZNQCLSA-N 0 1 261.409 3.809 20 0 CHADMN O=C(Nc1cccc(F)c1F)c1cn[nH]c1-c1ccccc1 ZINC000079778900 1119310970 /nfs/dbraw/zinc/31/09/70/1119310970.db2.gz TWIQRKNYFCUPJE-UHFFFAOYSA-N 0 1 299.280 3.607 20 0 CHADMN CCCCC[C@H](C(=O)N[C@H](C)Cc1cc(C)[nH]n1)C(C)C ZINC000161579214 1119311338 /nfs/dbraw/zinc/31/13/38/1119311338.db2.gz PVGDJDBIZNFVMH-CJNGLKHVSA-N 0 1 293.455 3.618 20 0 CHADMN C[C@@H](c1cccnc1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000079877611 1119317889 /nfs/dbraw/zinc/31/78/89/1119317889.db2.gz AXIIILDRUWAMSJ-AWEZNQCLSA-N 0 1 280.371 3.638 20 0 CHADMN Cc1c2cn(-c3ccnc(C(C)(C)C)c3)nc2ccc1N ZINC001213166781 1119321044 /nfs/dbraw/zinc/32/10/44/1119321044.db2.gz PWCWQDDKCUJWAK-UHFFFAOYSA-N 0 1 280.375 3.609 20 0 CHADMN COc1cc(CN[C@@H](CC(C)C)c2ccccc2)on1 ZINC000660175021 1128838314 /nfs/dbraw/zinc/83/83/14/1128838314.db2.gz VPKDBFYXSWLCKW-HNNXBMFYSA-N 0 1 274.364 3.560 20 0 CHADMN CCC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@@H]1c1ccsc1 ZINC000079989356 1119329310 /nfs/dbraw/zinc/32/93/10/1119329310.db2.gz HQIDZESLEUXMGP-GZBFAFLISA-N 0 1 294.464 3.578 20 0 CHADMN c1cc(-c2ccccc2)oc1CN[C@H]1CCCc2n[nH]cc21 ZINC000353453884 1128838401 /nfs/dbraw/zinc/83/84/01/1128838401.db2.gz GUYYZUCIWSQVBN-INIZCTEOSA-N 0 1 293.370 3.837 20 0 CHADMN CC(C)C[N@@H+](CC[C@H](C(=O)[O-])c1ccccc1)C(C)C ZINC000583327376 1119341130 /nfs/dbraw/zinc/34/11/30/1119341130.db2.gz LSBRHQGYGFSPML-INIZCTEOSA-N 0 1 277.408 3.611 20 0 CHADMN c1ccc([C@@H]2CN([C@H]3C=CCCCCC3)CCO2)cc1 ZINC000583329029 1119341538 /nfs/dbraw/zinc/34/15/38/1119341538.db2.gz UUCQSCQRBRVNPQ-ROUUACIJSA-N 0 1 271.404 3.949 20 0 CHADMN CN(Cc1cnc(C2CC2)o1)C(C)(C)c1ccccc1 ZINC000628265345 1128839220 /nfs/dbraw/zinc/83/92/20/1128839220.db2.gz APOJZKGAEBXBRW-UHFFFAOYSA-N 0 1 270.376 3.919 20 0 CHADMN Cn1ccc(CN[C@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000343186981 1119342320 /nfs/dbraw/zinc/34/23/20/1119342320.db2.gz ZMJBLOUYNVPDCF-LBPRGKRZSA-N 0 1 297.185 3.555 20 0 CHADMN COc1cc(C)ccc1CNCc1cccc(Cl)c1 ZINC000151026687 1119370472 /nfs/dbraw/zinc/37/04/72/1119370472.db2.gz CTEXVGZJMDHABZ-UHFFFAOYSA-N 0 1 275.779 3.947 20 0 CHADMN CN(C)c1ccc(CN2CCCCC[C@H]2c2ccco2)cn1 ZINC000126853483 1119377270 /nfs/dbraw/zinc/37/72/70/1119377270.db2.gz MIMZRDSMMFUILV-INIZCTEOSA-N 0 1 299.418 3.858 20 0 CHADMN CCCCOc1ccccc1CNCc1ccccc1CO ZINC000129145693 1119390167 /nfs/dbraw/zinc/39/01/67/1119390167.db2.gz MHRYDPKCFDNEGX-UHFFFAOYSA-N 0 1 299.414 3.648 20 0 CHADMN c1sc(-c2ccccn2)nc1CN1CCC2(CCC2)CC1 ZINC000375740916 1119390388 /nfs/dbraw/zinc/39/03/88/1119390388.db2.gz HDMOQPJDNRNSMO-UHFFFAOYSA-N 0 1 299.443 3.971 20 0 CHADMN Cc1ccoc1CN(C)Cc1ccc2[nH]ccc2c1 ZINC000628292014 1128843069 /nfs/dbraw/zinc/84/30/69/1128843069.db2.gz HPGQXXKSOBRYNU-UHFFFAOYSA-N 0 1 254.333 3.701 20 0 CHADMN Cc1ccccc1NC(=O)[C@H](C)N1CC[C@H](C)C(C)(C)C1 ZINC000583685978 1119394482 /nfs/dbraw/zinc/39/44/82/1119394482.db2.gz HCGHUSQITPDMGJ-GJZGRUSLSA-N 0 1 288.435 3.690 20 0 CHADMN CN1CCCC[C@H]1C(=O)Nc1ccccc1-c1ccccc1 ZINC000635148562 1119397020 /nfs/dbraw/zinc/39/70/20/1119397020.db2.gz XRNQVKPRVDLJQW-SFHVURJKSA-N 0 1 294.398 3.776 20 0 CHADMN Fc1ccc2c(c1)C[C@@H]1[C@@H](NCc3c(F)cccc3F)[C@H]21 ZINC000657785812 1119402255 /nfs/dbraw/zinc/40/22/55/1119402255.db2.gz HWSRBJGHRZUKND-JCURWCKSSA-N 0 1 289.300 3.532 20 0 CHADMN Clc1cccc([C@@H]2CC[C@H](NCc3csnn3)C2)c1 ZINC000449770800 1119403560 /nfs/dbraw/zinc/40/35/60/1119403560.db2.gz JBHHJXSEUOQBME-YPMHNXCESA-N 0 1 293.823 3.617 20 0 CHADMN c1nc(C2CC2)oc1CN1CCC[C@H]1c1ccccc1 ZINC000628126674 1119410579 /nfs/dbraw/zinc/41/05/79/1119410579.db2.gz BQYYCDLQDQOFFV-INIZCTEOSA-N 0 1 268.360 3.889 20 0 CHADMN CC(C)(C)C(F)(F)CNCc1cnc(-c2ccccc2)[nH]1 ZINC000657794080 1119414935 /nfs/dbraw/zinc/41/49/35/1119414935.db2.gz SLRNFNUKBKWVIG-UHFFFAOYSA-N 0 1 293.361 3.848 20 0 CHADMN Cc1ccc([C@H](C)CN2CC(C)(C)[C@@H]2c2nccn2C)cc1 ZINC000628298209 1128844539 /nfs/dbraw/zinc/84/45/39/1128844539.db2.gz XQCIOWQOTSHQQK-WBVHZDCISA-N 0 1 297.446 3.915 20 0 CHADMN CS[C@H]1CCCCN(Cc2nc(C3CC3)cs2)C1 ZINC000343424305 1119415726 /nfs/dbraw/zinc/41/57/26/1119415726.db2.gz XQPZIVWSQNHMAL-LBPRGKRZSA-N 0 1 282.478 3.738 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000583817932 1119417671 /nfs/dbraw/zinc/41/76/71/1119417671.db2.gz HSMVGYWZYYMLIN-WBMJQRKESA-N 0 1 293.382 3.925 20 0 CHADMN CCc1nocc1CN[C@@H]1CCCc2c(C)cccc21 ZINC000657797292 1119419579 /nfs/dbraw/zinc/41/95/79/1119419579.db2.gz KMWUUKQQVKKJKK-QGZVFWFLSA-N 0 1 270.376 3.713 20 0 CHADMN CC[C@H](C(=O)N(CC)c1cccc2ccccc21)N(C)C ZINC000583858727 1119424968 /nfs/dbraw/zinc/42/49/68/1119424968.db2.gz GPPMNBLQZJHPCI-MRXNPFEDSA-N 0 1 284.403 3.533 20 0 CHADMN COCc1ccc([C@H]2CCCN2[C@H](C)c2ccccn2)o1 ZINC000131467945 1119430175 /nfs/dbraw/zinc/43/01/75/1119430175.db2.gz JDULUKNTIQSDBR-CZUORRHYSA-N 0 1 286.375 3.719 20 0 CHADMN Cc1ccc(Nc2ccc3c[nH+]ccc3c2)cc1C(=O)[O-] ZINC001211601659 1119430212 /nfs/dbraw/zinc/43/02/12/1119430212.db2.gz DGFPVTPNUIUUIA-UHFFFAOYSA-N 0 1 278.311 3.985 20 0 CHADMN CCCN(Cc1nc(C)c[nH]1)[C@@H]1CCc2ccccc21 ZINC000628139846 1119434873 /nfs/dbraw/zinc/43/48/73/1119434873.db2.gz RPJKUWQNAZOIQG-MRXNPFEDSA-N 0 1 269.392 3.618 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCC(C(F)(F)F)CC1 ZINC000343511629 1119438245 /nfs/dbraw/zinc/43/82/45/1119438245.db2.gz LVOAJDOKAKJLPH-UHFFFAOYSA-N 0 1 289.345 3.547 20 0 CHADMN COc1ccccc1OC[C@@H](C)CNc1cccc(C)n1 ZINC000158279093 1119440373 /nfs/dbraw/zinc/44/03/73/1119440373.db2.gz XHRHALKSKUQDHD-ZDUSSCGKSA-N 0 1 286.375 3.526 20 0 CHADMN C[C@@H]1CCC[C@H](C)CN1Cc1cncc(Br)c1 ZINC000343529841 1119443396 /nfs/dbraw/zinc/44/33/96/1119443396.db2.gz BHMKOFONFBTVIX-NWDGAFQWSA-N 0 1 297.240 3.855 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCCC2(CCCC2)CC1 ZINC000617563638 1128846681 /nfs/dbraw/zinc/84/66/81/1128846681.db2.gz XRIPRLHYNGHRMI-UHFFFAOYSA-N 0 1 291.366 3.718 20 0 CHADMN c1ccc([C@H](NCc2nc3cccnc3s2)C2CC2)cc1 ZINC000343567670 1119457766 /nfs/dbraw/zinc/45/77/66/1119457766.db2.gz WHRCJGXFEUKIOE-INIZCTEOSA-N 0 1 295.411 3.932 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161985431 1119459111 /nfs/dbraw/zinc/45/91/11/1119459111.db2.gz BCAZAHMBOFCGII-UONOGXRCSA-N 0 1 293.455 3.762 20 0 CHADMN CSc1ccc(CN[C@@H](c2ccccc2)[C@H](C)O)s1 ZINC000657819376 1119461955 /nfs/dbraw/zinc/46/19/55/1119461955.db2.gz RFCXYCOISDSTSA-XHDPSFHLSA-N 0 1 293.457 3.682 20 0 CHADMN COc1c(C)cc(CN2CC3(CCC3(F)F)C2)cc1C ZINC000584025494 1119462187 /nfs/dbraw/zinc/46/21/87/1119462187.db2.gz KXUWYYOJUJXHMI-UHFFFAOYSA-N 0 1 281.346 3.543 20 0 CHADMN CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343590419 1119463455 /nfs/dbraw/zinc/46/34/55/1119463455.db2.gz BIDVJEQSPJOPDE-INIZCTEOSA-N 0 1 297.402 3.756 20 0 CHADMN CCOC(=O)CCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000343600404 1119467097 /nfs/dbraw/zinc/46/70/97/1119467097.db2.gz GBJKJDROEIEVEG-INIZCTEOSA-N 0 1 293.382 3.696 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CCC[C@H]1C1CCCCC1 ZINC000343599311 1119467482 /nfs/dbraw/zinc/46/74/82/1119467482.db2.gz YPEGCJLFARHQMV-INIZCTEOSA-N 0 1 297.402 3.748 20 0 CHADMN CC[C@@H](C)[C@H](C)[N@@H+](CCc1ccccc1C(=O)[O-])C1CC1 ZINC000565101200 1119468764 /nfs/dbraw/zinc/46/87/64/1119468764.db2.gz AWXDOAKRYWOQIX-KGLIPLIRSA-N 0 1 289.419 3.826 20 0 CHADMN c1nc(C2CC2)oc1CN1CCC(C2CCC2)CC1 ZINC000628337393 1128848340 /nfs/dbraw/zinc/84/83/40/1128848340.db2.gz FEWQYDANQIQQAR-UHFFFAOYSA-N 0 1 260.381 3.564 20 0 CHADMN C[C@H](N[C@H]1CCC[C@@H]1c1ccccc1)c1nc(C2CC2)no1 ZINC000133704479 1119474746 /nfs/dbraw/zinc/47/47/46/1119474746.db2.gz YMEWTXFVQQWOBO-MAZHCROVSA-N 0 1 297.402 3.934 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(C(=O)c2cnc(C3CC3)[nH]2)CC1 ZINC000343624948 1119474759 /nfs/dbraw/zinc/47/47/59/1119474759.db2.gz NXPPFZPMESWGOK-CYBMUJFWSA-N 0 1 289.423 3.576 20 0 CHADMN Cn1nccc1[C@H]1CCCCN1Cc1coc2ccccc12 ZINC000343651222 1119480145 /nfs/dbraw/zinc/48/01/45/1119480145.db2.gz AZABCAIMEVOFBK-QGZVFWFLSA-N 0 1 295.386 3.894 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1CN(C)[C@H](C)c1nc(C)no1 ZINC000628327678 1128849095 /nfs/dbraw/zinc/84/90/95/1128849095.db2.gz MCPHVJZGCTWVHR-MRVWCRGKSA-N 0 1 265.401 3.587 20 0 CHADMN CSCCCN(C)Cc1cccc(Cl)c1F ZINC000343679066 1119486257 /nfs/dbraw/zinc/48/62/57/1119486257.db2.gz NIFGUBZJTRBMSX-UHFFFAOYSA-N 0 1 261.793 3.664 20 0 CHADMN Cc1nc(CN2CCC[C@@](C)(c3ccccc3)C2)[nH]c1C ZINC000628176629 1119486927 /nfs/dbraw/zinc/48/69/27/1119486927.db2.gz RLONJBPFMQMFSN-GOSISDBHSA-N 0 1 283.419 3.580 20 0 CHADMN COc1cncc(CNC2(c3ccc(Cl)cc3)CC2)c1 ZINC000343714916 1119492820 /nfs/dbraw/zinc/49/28/20/1119492820.db2.gz QLDNIOSRSALOFO-UHFFFAOYSA-N 0 1 288.778 3.523 20 0 CHADMN FC(F)(F)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000076181455 1119498051 /nfs/dbraw/zinc/49/80/51/1119498051.db2.gz WEBXHYSVIAWQQN-QWRGUYRKSA-N 0 1 297.242 3.859 20 0 CHADMN CC(C)=CCN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000076182187 1119498481 /nfs/dbraw/zinc/49/84/81/1119498481.db2.gz BGVJOCVSKDVDKQ-IUCAKERBSA-N 0 1 275.236 3.625 20 0 CHADMN CCc1nnc(CN2CCC[C@H]2CCCc2ccccc2)o1 ZINC000135366166 1119498524 /nfs/dbraw/zinc/49/85/24/1119498524.db2.gz JNXYJGOITYTBIL-MRXNPFEDSA-N 0 1 299.418 3.619 20 0 CHADMN CSC[C@H]1CCCN1Cc1csc(-c2ccoc2)n1 ZINC000135484837 1119500632 /nfs/dbraw/zinc/50/06/32/1119500632.db2.gz UCLUEZCKONWWGW-CYBMUJFWSA-N 0 1 294.445 3.731 20 0 CHADMN Cc1ccc([C@@H](C)CN2CCO[C@H](c3ccco3)C2)cc1 ZINC000628188419 1119501950 /nfs/dbraw/zinc/50/19/50/1119501950.db2.gz ZYURQMPWFDPDHD-YJBOKZPZSA-N 0 1 285.387 3.765 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCCC[C@H]2C(C)C)c1 ZINC000343763081 1119511378 /nfs/dbraw/zinc/51/13/78/1119511378.db2.gz SRFNRKVMJZHMFU-HNNXBMFYSA-N 0 1 285.391 3.522 20 0 CHADMN Clc1ccc([C@@H]2CCN2CCc2ccncc2)cc1 ZINC000081604821 1119518686 /nfs/dbraw/zinc/51/86/86/1119518686.db2.gz SZPHKXAFRAEHBM-INIZCTEOSA-N 0 1 272.779 3.725 20 0 CHADMN COCCCCN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000081605185 1119518947 /nfs/dbraw/zinc/51/89/47/1119518947.db2.gz PUIWLWSPOBLQNL-CQSZACIVSA-N 0 1 253.773 3.513 20 0 CHADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]CCCC2CCCCC2)n1 ZINC000628374810 1128851765 /nfs/dbraw/zinc/85/17/65/1128851765.db2.gz DMVQCVHXVJQSAS-UHFFFAOYSA-N 0 1 291.439 3.676 20 0 CHADMN C(CC1CCCCC1)c1nnc([C@H]2CCCCCN2)o1 ZINC001217728231 1119526616 /nfs/dbraw/zinc/52/66/16/1119526616.db2.gz JEYFZSRYKXLZEL-CQSZACIVSA-N 0 1 277.412 3.787 20 0 CHADMN CC[C@]1(C)CC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000584416344 1119533950 /nfs/dbraw/zinc/53/39/50/1119533950.db2.gz YYJFDJFDJTYNKP-OAHLLOKOSA-N 0 1 281.783 3.660 20 0 CHADMN CCc1ccc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)o1 ZINC000628390277 1128853197 /nfs/dbraw/zinc/85/31/97/1128853197.db2.gz FYWDXQNEJGLNQE-QWRGUYRKSA-N 0 1 257.324 3.565 20 0 CHADMN CCc1ccc([C@@H](CO)N[C@H](C)c2ccccc2OC)cc1 ZINC000090843734 1119549550 /nfs/dbraw/zinc/54/95/50/1119549550.db2.gz WIGTUYBAAWFFPD-RDTXWAMCSA-N 0 1 299.414 3.642 20 0 CHADMN Cc1ccc(-c2ncc(CN3CCCCC3)s2)o1 ZINC000092107419 1119561965 /nfs/dbraw/zinc/56/19/65/1119561965.db2.gz MGDYJVIODANQDP-UHFFFAOYSA-N 0 1 262.378 3.697 20 0 CHADMN COc1c(C)cc(CN(C)Cc2ccoc2)cc1C ZINC000092403651 1119562354 /nfs/dbraw/zinc/56/23/54/1119562354.db2.gz KRFGVFMQTDATTK-UHFFFAOYSA-N 0 1 259.349 3.537 20 0 CHADMN CCC[C@@H]1CCCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000343797831 1119567926 /nfs/dbraw/zinc/56/79/26/1119567926.db2.gz OPHLHGQISDGLGF-CYBMUJFWSA-N 0 1 285.391 3.524 20 0 CHADMN c1nc(C2CC2)sc1CN1CCCc2ccccc2C1 ZINC000093085212 1119570090 /nfs/dbraw/zinc/57/00/90/1119570090.db2.gz SPQGSTNQUDNNRQ-UHFFFAOYSA-N 0 1 284.428 3.969 20 0 CHADMN Cc1cc(C)cc(CNCc2cccc3c2OCCCO3)c1 ZINC000128525864 1119570705 /nfs/dbraw/zinc/57/07/05/1119570705.db2.gz MTSGBSHSHNYQEE-UHFFFAOYSA-N 0 1 297.398 3.755 20 0 CHADMN CSC[C@H]1CCCN1Cc1nc2c(s1)C[C@H](C)CC2 ZINC000093761159 1119571279 /nfs/dbraw/zinc/57/12/79/1119571279.db2.gz KKHGSSICRFLINE-VXGBXAGGSA-N 0 1 296.505 3.595 20 0 CHADMN c1ccc([C@@H](NCCOC2CCCC2)c2ccccn2)cc1 ZINC000170999469 1119575131 /nfs/dbraw/zinc/57/51/31/1119575131.db2.gz DFEZJRYJCMWTAV-LJQANCHMSA-N 0 1 296.414 3.720 20 0 CHADMN Cc1cccc(C)c1CN1CCc2nc(C3CC3)ncc2C1 ZINC000143226080 1119581291 /nfs/dbraw/zinc/58/12/91/1119581291.db2.gz BIZYYUXRNHJMNO-UHFFFAOYSA-N 0 1 293.414 3.529 20 0 CHADMN CSc1cc(Br)ccc1CN1C[C@@H]2C[C@@H]2C1 ZINC000628408648 1128856754 /nfs/dbraw/zinc/85/67/54/1128856754.db2.gz DYSVYAHCXYLGJJ-PHIMTYICSA-N 0 1 298.249 3.623 20 0 CHADMN Cc1ccc(F)cc1CNCc1cccnc1OC(C)C ZINC000129030317 1119599039 /nfs/dbraw/zinc/59/90/39/1119599039.db2.gz IBKAZKHGSMWUKO-UHFFFAOYSA-N 0 1 288.366 3.606 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000685415040 1119603749 /nfs/dbraw/zinc/60/37/49/1119603749.db2.gz MTECUEGFVGEBJZ-INIZCTEOSA-N 0 1 282.387 3.557 20 0 CHADMN [O-]c1cccnc1C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000685415040 1119603750 /nfs/dbraw/zinc/60/37/50/1119603750.db2.gz MTECUEGFVGEBJZ-INIZCTEOSA-N 0 1 282.387 3.557 20 0 CHADMN c1cc2cc(CN3CCN(c4ccccc4)CC3)ccc2o1 ZINC000685407255 1119604016 /nfs/dbraw/zinc/60/40/16/1119604016.db2.gz VAWHHGLZIKZUEP-UHFFFAOYSA-N 0 1 292.382 3.755 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccc2occc2c1 ZINC000617624290 1128857185 /nfs/dbraw/zinc/85/71/85/1128857185.db2.gz DHZUOJDCJXUJBL-UHFFFAOYSA-N 0 1 297.358 3.518 20 0 CHADMN CCC[C@H](C)CN(C)Cc1nc(-c2cccs2)no1 ZINC000685436269 1119607027 /nfs/dbraw/zinc/60/70/27/1119607027.db2.gz FUXIBJZSPZFAND-NSHDSACASA-N 0 1 279.409 3.666 20 0 CHADMN CCCCCN(CCCCC)Cc1nccn1C ZINC000302834060 1119608002 /nfs/dbraw/zinc/60/80/02/1119608002.db2.gz SCCYODUJGRRXSS-UHFFFAOYSA-N 0 1 251.418 3.603 20 0 CHADMN Fc1ccc(/C=C/CN2CC(C3CCC3)C2)c(F)c1 ZINC000685438887 1119608647 /nfs/dbraw/zinc/60/86/47/1119608647.db2.gz RKVTWVOGVGIRCB-GORDUTHDSA-N 0 1 263.331 3.710 20 0 CHADMN CC(C)CCn1cccc1CN(C)Cc1ccc(O)cc1 ZINC000685462443 1119610498 /nfs/dbraw/zinc/61/04/98/1119610498.db2.gz PGPHPRALISVJGE-UHFFFAOYSA-N 0 1 286.419 3.872 20 0 CHADMN Clc1ccc2ncc(CN3CCC[C@@H](C4CC4)C3)n2c1 ZINC000685476419 1119613947 /nfs/dbraw/zinc/61/39/47/1119613947.db2.gz PRRKSUSAXFKRMM-CYBMUJFWSA-N 0 1 289.810 3.610 20 0 CHADMN CSc1cc(C)ccc1CN[C@@H]1CCCn2nccc21 ZINC000657903190 1119621386 /nfs/dbraw/zinc/62/13/86/1119621386.db2.gz FLJUTJWVWYGWSO-CQSZACIVSA-N 0 1 287.432 3.538 20 0 CHADMN Cc1cccc(CN[C@H](C)c2cccc(OC(F)F)c2)n1 ZINC000051574958 1119622973 /nfs/dbraw/zinc/62/29/73/1119622973.db2.gz XDRWFSZGXGQTDY-GFCCVEGCSA-N 0 1 292.329 3.842 20 0 CHADMN FC(F)(F)c1nc(CNC2CCCCC2)cs1 ZINC000892401344 1119624918 /nfs/dbraw/zinc/62/49/18/1119624918.db2.gz CRAAJOVUIFYSID-UHFFFAOYSA-N 0 1 264.316 3.584 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H](c2ccccc2)C2CC2)c2nccn21 ZINC000294261900 1119625432 /nfs/dbraw/zinc/62/54/32/1119625432.db2.gz XJPFLXQMGDQDCH-KCXAZCMYSA-N 0 1 267.376 3.630 20 0 CHADMN Cc1cccc(C)c1CN1CCc2nc(C(C)C)ncc2C1 ZINC000143223162 1119628289 /nfs/dbraw/zinc/62/82/89/1119628289.db2.gz SLKRMMIBOIQOLZ-UHFFFAOYSA-N 0 1 295.430 3.775 20 0 CHADMN CCCN(Cc1oc(C)nc1C)Cc1ccc(OC)cc1 ZINC000685561967 1119630727 /nfs/dbraw/zinc/63/07/27/1119630727.db2.gz FXNCFQWIMYFDTA-UHFFFAOYSA-N 0 1 288.391 3.712 20 0 CHADMN Cc1nc(C)c(CN[C@H](c2ccc(F)c(C)c2)C2CC2)o1 ZINC000685573690 1119633901 /nfs/dbraw/zinc/63/39/01/1119633901.db2.gz IFXOALGPBAUTED-KRWDZBQOSA-N 0 1 288.366 3.980 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cc(C(C)(C)C)on2)C1 ZINC000685574992 1119634486 /nfs/dbraw/zinc/63/44/86/1119634486.db2.gz WQWOBTRQUDWRNX-JHJVBQTASA-N 0 1 264.413 3.839 20 0 CHADMN CC[C@@H](C)c1cccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)c1 ZINC000628431045 1128859258 /nfs/dbraw/zinc/85/92/58/1128859258.db2.gz MXKCYTPXEJJVPZ-OCCSQVGLSA-N 0 1 297.402 3.667 20 0 CHADMN C[C@@H](N[C@H]1CCCC12CCCCC2)c1csnn1 ZINC000398303355 1119637127 /nfs/dbraw/zinc/63/71/27/1119637127.db2.gz NYNBCAVNDQHJAI-YPMHNXCESA-N 0 1 265.426 3.692 20 0 CHADMN COc1cc(CN[C@H](C)c2cc(C)sc2C)sn1 ZINC000399152672 1119644561 /nfs/dbraw/zinc/64/45/61/1119644561.db2.gz JVGZYNHXCYOFLS-SECBINFHSA-N 0 1 282.434 3.681 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccsc2)cc1O ZINC000685654511 1119645909 /nfs/dbraw/zinc/64/59/09/1119645909.db2.gz KPGXYGFBTZUSON-GHMZBOCLSA-N 0 1 277.389 3.874 20 0 CHADMN C[C@H](NCc1ccccn1)c1ccc(-c2ccncc2)cc1 ZINC000081196546 1119653264 /nfs/dbraw/zinc/65/32/64/1119653264.db2.gz QFXBOUUTNSWISO-HNNXBMFYSA-N 0 1 289.382 3.994 20 0 CHADMN CC(=O)Nc1cccc(C[N@H+](C)[C@@H](C)c2ccccc2)c1 ZINC000101543435 1119656246 /nfs/dbraw/zinc/65/62/46/1119656246.db2.gz NYZCZGZICYBCPZ-AWEZNQCLSA-N 0 1 282.387 3.838 20 0 CHADMN CCN1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000101556850 1119659006 /nfs/dbraw/zinc/65/90/06/1119659006.db2.gz FZBNSOHNHIYHDI-GFCCVEGCSA-N 0 1 284.197 3.615 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccnc2N2CCCC2)c(C)o1 ZINC000658104613 1119686045 /nfs/dbraw/zinc/68/60/45/1119686045.db2.gz YAQMIDPRPHHWTO-CQSZACIVSA-N 0 1 299.418 3.742 20 0 CHADMN Cc1ccc(CN(CCCC(=O)OC(C)(C)C)C2CC2)o1 ZINC000612059239 1119687599 /nfs/dbraw/zinc/68/75/99/1119687599.db2.gz NCEUUZRBWBFATN-UHFFFAOYSA-N 0 1 293.407 3.674 20 0 CHADMN COc1cccc(OC)c1CN[C@H](C)c1ccc(C)s1 ZINC000658120987 1119687695 /nfs/dbraw/zinc/68/76/95/1119687695.db2.gz MMJKCKNFWOLGHC-GFCCVEGCSA-N 0 1 291.416 3.925 20 0 CHADMN CC[C@H](C)CCN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000658121798 1119688500 /nfs/dbraw/zinc/68/85/00/1119688500.db2.gz QARZEIOSWZSROW-DZGCQCFKSA-N 0 1 257.381 3.525 20 0 CHADMN COc1cccc(OC)c1CN[C@H](C)c1sccc1C ZINC000658122889 1119688728 /nfs/dbraw/zinc/68/87/28/1119688728.db2.gz XEOCDSDCRAGDKN-GFCCVEGCSA-N 0 1 291.416 3.925 20 0 CHADMN CC(C)c1cccc(C(=O)N2CCC(c3cnc[nH]3)CC2)c1 ZINC000612063878 1119689277 /nfs/dbraw/zinc/68/92/77/1119689277.db2.gz LKEGVKQISKIRDY-UHFFFAOYSA-N 0 1 297.402 3.553 20 0 CHADMN CCOc1ccc(CN[C@H]2CCCc3ccccc32)o1 ZINC000892423277 1119692315 /nfs/dbraw/zinc/69/23/15/1119692315.db2.gz NVOZXKGMYSIGLY-INIZCTEOSA-N 0 1 271.360 3.846 20 0 CHADMN COC[C@H](N[C@H](C)c1ccccc1)c1cccc(OC)c1 ZINC000658167985 1119695473 /nfs/dbraw/zinc/69/54/73/1119695473.db2.gz ZTSKLPHQBLJEKV-KDOFPFPSSA-N 0 1 285.387 3.734 20 0 CHADMN C[C@H](NCCO[C@H]1CC1(F)F)c1ccc(F)cc1Cl ZINC000658168569 1119695924 /nfs/dbraw/zinc/69/59/24/1119695924.db2.gz YXPSPQZNXGAHCL-UFBFGSQYSA-N 0 1 293.716 3.554 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@H](c1ccccc1F)C(C)C ZINC000658169117 1119696174 /nfs/dbraw/zinc/69/61/74/1119696174.db2.gz ZMAOPDQPCGQSLY-GUYCJALGSA-N 0 1 287.382 3.972 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccccc21)c1cn2ccccc2n1 ZINC000658186153 1119697182 /nfs/dbraw/zinc/69/71/82/1119697182.db2.gz BWRWLHSWNCXQDK-CZUORRHYSA-N 0 1 277.371 3.672 20 0 CHADMN CC(C)(C)CCC[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000647370771 1119698671 /nfs/dbraw/zinc/69/86/71/1119698671.db2.gz BLRUSMUUIQDCRC-CVEARBPZSA-N 0 1 289.419 3.613 20 0 CHADMN COC[C@H](NCCc1ccoc1)c1cccc(Cl)c1F ZINC000658201358 1119701262 /nfs/dbraw/zinc/70/12/62/1119701262.db2.gz RVRFDKNYRFRSDE-AWEZNQCLSA-N 0 1 297.757 3.592 20 0 CHADMN c1c[nH]c([C@@H](NC[C@@H]2CCC[C@H]3C[C@H]32)c2ccccc2)n1 ZINC000658205283 1119701360 /nfs/dbraw/zinc/70/13/60/1119701360.db2.gz HBDGJBZYUNLVAR-NXOAAHMSSA-N 0 1 281.403 3.525 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1cc2cc(C)ccc2o1 ZINC000658203798 1119701408 /nfs/dbraw/zinc/70/14/08/1119701408.db2.gz ZYGAOIYDSGDQMR-NSHDSACASA-N 0 1 269.348 3.624 20 0 CHADMN CC(C)(CNCc1csnn1)c1ccc2ccccc2c1 ZINC000628477071 1128863781 /nfs/dbraw/zinc/86/37/81/1128863781.db2.gz FYBYEUQQZITMRO-UHFFFAOYSA-N 0 1 297.427 3.759 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H]1C[C@@H](C)n3ccnc31)[C@H](C)C2 ZINC000658244931 1119710997 /nfs/dbraw/zinc/71/09/97/1119710997.db2.gz NYDHZUCUBOSVBX-OMNBBPDLSA-N 0 1 281.403 3.720 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@H]2C2CCC2)cc1 ZINC000647377282 1119711909 /nfs/dbraw/zinc/71/19/09/1119711909.db2.gz ACVXKPUOIJZOPV-INIZCTEOSA-N 0 1 273.376 3.539 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@@H]1CCc2ccc(O)cc21 ZINC000658234986 1119712460 /nfs/dbraw/zinc/71/24/60/1119712460.db2.gz BTJNUPVZYOUOFV-QMTHXVAHSA-N 0 1 289.400 3.800 20 0 CHADMN Cn1ncc(C2CCC2)c1CN[C@H]1CCc2cc(F)ccc21 ZINC000658268002 1119713667 /nfs/dbraw/zinc/71/36/67/1119713667.db2.gz JYZMSHAWDSINKA-KRWDZBQOSA-N 0 1 299.393 3.604 20 0 CHADMN Cc1cc([C@@H](C)NCc2c(C3CCC3)cnn2C)c(C)o1 ZINC000658269270 1119715675 /nfs/dbraw/zinc/71/56/75/1119715675.db2.gz VPXMKOXGDBVBLJ-GFCCVEGCSA-N 0 1 287.407 3.748 20 0 CHADMN CCn1cc([C@H](C)NC2(c3cccc(OC)c3)CCC2)cn1 ZINC000658323858 1119723386 /nfs/dbraw/zinc/72/33/86/1119723386.db2.gz RUTFXQXQDPNFQN-AWEZNQCLSA-N 0 1 299.418 3.642 20 0 CHADMN CCC[C@H](N[C@@H](C)c1nccn1C)c1ccc(OC)cc1 ZINC000658335333 1119726796 /nfs/dbraw/zinc/72/67/96/1119726796.db2.gz SJUWDWFOEZYJAR-BBRMVZONSA-N 0 1 287.407 3.621 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@H]2N[C@H](C)c1nccn1C ZINC000658335850 1119726830 /nfs/dbraw/zinc/72/68/30/1119726830.db2.gz HYUBRIWFMYKLBZ-UMVBOHGHSA-N 0 1 269.392 3.628 20 0 CHADMN C[C@@H](NCC(F)(F)C(C)(C)C)C(C)(C)C(F)F ZINC000658337837 1119727609 /nfs/dbraw/zinc/72/76/09/1119727609.db2.gz HGWYIGDBQZZUAP-MRVPVSSYSA-N 0 1 257.315 3.937 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2c(C)cccc21)c1nccn1C ZINC000658338542 1119728018 /nfs/dbraw/zinc/72/80/18/1119728018.db2.gz LKKHIYZHCOUMEY-IAGOWNOFSA-N 0 1 283.419 3.847 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccc(C)o2)c1C ZINC000658351323 1119729967 /nfs/dbraw/zinc/72/99/67/1119729967.db2.gz BQMNTOFYETYQIB-ZDUSSCGKSA-N 0 1 259.349 3.756 20 0 CHADMN COc1cc(C)ccc1[C@H](C)N[C@@H](c1ccccc1)[C@H](C)O ZINC000658359695 1119731258 /nfs/dbraw/zinc/73/12/58/1119731258.db2.gz DYYRNOCWYMWBMF-YZVOILCLSA-N 0 1 299.414 3.776 20 0 CHADMN COc1cccc(CN[C@@H]2CCCc3cccnc32)c1C ZINC000658347034 1119732368 /nfs/dbraw/zinc/73/23/68/1119732368.db2.gz WIZJBIIFURVNAU-MRXNPFEDSA-N 0 1 282.387 3.566 20 0 CHADMN Cc1cccc([C@@H](N[C@H]2CC23CC3)c2ccccn2)c1 ZINC000926616857 1119733511 /nfs/dbraw/zinc/73/35/11/1119733511.db2.gz VFOICFUCDLGXPJ-DLBZAZTESA-N 0 1 264.372 3.622 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CCC[C@@H](CO)CC1 ZINC000339751769 1119735199 /nfs/dbraw/zinc/73/51/99/1119735199.db2.gz TWHMLNPJQDQCEK-VXGBXAGGSA-N 0 1 285.790 3.635 20 0 CHADMN CCCC[C@H](C)N(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000290886186 1119742973 /nfs/dbraw/zinc/74/29/73/1119742973.db2.gz AHJZHSLBUBFYHS-JTQLQIEISA-N 0 1 269.772 3.696 20 0 CHADMN COc1ccc([C@@H](C)NCc2cnc(F)c(C)c2)cc1F ZINC000892462459 1119745438 /nfs/dbraw/zinc/74/54/38/1119745438.db2.gz PGRBJUKPRAOUEZ-LLVKDONJSA-N 0 1 292.329 3.528 20 0 CHADMN COc1ccc(CN[C@H](c2ccc(OC)cc2)C(C)C)o1 ZINC000892468056 1119746877 /nfs/dbraw/zinc/74/68/77/1119746877.db2.gz NZOAQRKPXAOBJR-KRWDZBQOSA-N 0 1 289.375 3.784 20 0 CHADMN CCOc1ccc([C@H](C)NCc2cc(C)ns2)cc1 ZINC000404474205 1119754980 /nfs/dbraw/zinc/75/49/80/1119754980.db2.gz OUIUPULLYKTGDC-LBPRGKRZSA-N 0 1 276.405 3.701 20 0 CHADMN Cc1ncc(CN[C@H]2c3ccccc3CCC[C@H]2C)o1 ZINC000628239602 1119760067 /nfs/dbraw/zinc/76/00/67/1119760067.db2.gz XSBXTDRLLWRKHU-SJKOYZFVSA-N 0 1 270.376 3.786 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2cnn(C)c2C2CC2)cc1 ZINC000892479509 1119763561 /nfs/dbraw/zinc/76/35/61/1119763561.db2.gz FKLKKAVKAVEBES-CYBMUJFWSA-N 0 1 299.418 3.547 20 0 CHADMN CCn1ccnc1CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000051921932 1119763633 /nfs/dbraw/zinc/76/36/33/1119763633.db2.gz GDORLGRWIKGATL-MRXNPFEDSA-N 0 1 275.371 3.529 20 0 CHADMN CC[C@@H](CC(C)C)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000413666350 1119774265 /nfs/dbraw/zinc/77/42/65/1119774265.db2.gz JTDMGSSNRKGVDY-VIFPVBQESA-N 0 1 273.327 3.667 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1cscc1Cl ZINC000308897335 1119782531 /nfs/dbraw/zinc/78/25/31/1119782531.db2.gz ARNWJXHCIFZXDI-ZCFIWIBFSA-N 0 1 257.708 3.832 20 0 CHADMN c1cc2c(cccc2CN2CCc3ncsc3C2)s1 ZINC001236691089 1128869454 /nfs/dbraw/zinc/86/94/54/1128869454.db2.gz XTNZZBKHEJWWAI-UHFFFAOYSA-N 0 1 286.425 3.916 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)c2C1 ZINC000612710368 1119816390 /nfs/dbraw/zinc/81/63/90/1119816390.db2.gz CBSPLTXUTKSIKK-ZSHCYNCHSA-N 0 1 298.430 3.643 20 0 CHADMN Cc1c[nH]nc1CN(Cc1cccc(F)c1)C1CCCC1 ZINC000685834139 1119853001 /nfs/dbraw/zinc/85/30/01/1119853001.db2.gz VOVYBVNBPNGSCX-UHFFFAOYSA-N 0 1 287.382 3.802 20 0 CHADMN Cc1cn[nH]c1C[N@H+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC000685838306 1119857255 /nfs/dbraw/zinc/85/72/55/1119857255.db2.gz BOMIOVIJRAZYQQ-GOSISDBHSA-N 0 1 297.446 3.953 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1ccn(C)n1)c1ccc(F)cc1 ZINC000414054038 1119868219 /nfs/dbraw/zinc/86/82/19/1119868219.db2.gz BHUKIRJFZFXWSQ-WBMJQRKESA-N 0 1 275.371 3.607 20 0 CHADMN CN(Cc1ccc(Cl)s1)C[C@H](O)c1ccc(F)cc1 ZINC000066346941 1119868296 /nfs/dbraw/zinc/86/82/96/1119868296.db2.gz PNHMWFINYFLKBU-ZDUSSCGKSA-N 0 1 299.798 3.706 20 0 CHADMN CCOc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)cc1F ZINC000685850087 1119872629 /nfs/dbraw/zinc/87/26/29/1119872629.db2.gz VWDSJOSDULGUEK-KRWDZBQOSA-N 0 1 289.394 3.989 20 0 CHADMN C[C@@H](N[C@@H](c1cccs1)C1CC1)c1cc2n(n1)CCC2 ZINC000414061295 1119874391 /nfs/dbraw/zinc/87/43/91/1119874391.db2.gz KIZMRLUNWJZSPU-BDJLRTHQSA-N 0 1 287.432 3.693 20 0 CHADMN COc1ccc([C@@H](C)NCc2cn3ccccc3n2)c(C)c1 ZINC000414066639 1119877882 /nfs/dbraw/zinc/87/78/82/1119877882.db2.gz PTIJTPWZZVJKST-CQSZACIVSA-N 0 1 295.386 3.502 20 0 CHADMN Cc1cc([C@@H](N[C@H](C)c2ccn(C)n2)C2CC2)ccc1F ZINC000414099008 1119898457 /nfs/dbraw/zinc/89/84/57/1119898457.db2.gz KHAUNNVNPZFPFY-PXAZEXFGSA-N 0 1 287.382 3.670 20 0 CHADMN CC[C@H](N[C@H](C)c1noc(-c2ccccc2)n1)[C@@H]1C[C@H]1C ZINC000414109957 1119902502 /nfs/dbraw/zinc/90/25/02/1119902502.db2.gz LFYBXDSGHXFJSR-GBOPCIDUSA-N 0 1 285.391 3.822 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1cc3n(n1)CCC3)CCC2 ZINC000414119855 1119905270 /nfs/dbraw/zinc/90/52/70/1119905270.db2.gz DTQZQCVCASMDNB-RDTXWAMCSA-N 0 1 295.430 3.866 20 0 CHADMN COCCN(C/C=C/c1ccccc1)Cc1cccs1 ZINC000613344817 1119906859 /nfs/dbraw/zinc/90/68/59/1119906859.db2.gz REAZPZIHUKNOQE-WEVVVXLNSA-N 0 1 287.428 3.910 20 0 CHADMN CCCCc1noc(CN(CC)CC(CC)CC)n1 ZINC000613423146 1119922011 /nfs/dbraw/zinc/92/20/11/1119922011.db2.gz QMKQWHOLRBKHDI-UHFFFAOYSA-N 0 1 267.417 3.670 20 0 CHADMN C[C@@H](N[C@H](C)c1cc2c(s1)CCCC2)c1ccn(C)n1 ZINC000414169188 1119925294 /nfs/dbraw/zinc/92/52/94/1119925294.db2.gz ASVVZTQWRPOERS-VXGBXAGGSA-N 0 1 289.448 3.772 20 0 CHADMN Cc1cc([C@H]2CCCN2C/C=C\c2ccccc2)on1 ZINC000613456530 1119930064 /nfs/dbraw/zinc/93/00/64/1119930064.db2.gz KGVFYFPJKJAULA-MEMKZHQFSA-N 0 1 268.360 3.833 20 0 CHADMN CCn1ccc(CN[C@H](c2ccccc2)C2CCCC2)n1 ZINC000414203659 1119937532 /nfs/dbraw/zinc/93/75/32/1119937532.db2.gz FEQOVTNZHVYIJL-GOSISDBHSA-N 0 1 283.419 3.924 20 0 CHADMN CCn1ccc(CN[C@@H](C)c2cccc3ccccc32)n1 ZINC000414201065 1119937801 /nfs/dbraw/zinc/93/78/01/1119937801.db2.gz BSJDHBNCDIQHAA-AWEZNQCLSA-N 0 1 279.387 3.907 20 0 CHADMN c1c[nH]c([C@@H](NC[C@H]2CCC[C@H]2C2CC2)c2ccccc2)n1 ZINC000414206394 1119939759 /nfs/dbraw/zinc/93/97/59/1119939759.db2.gz YLHGHCMHNOBHAQ-SQNIBIBYSA-N 0 1 295.430 3.915 20 0 CHADMN CC1(C)CCC[C@@H](NCc2nccc(C(F)(F)F)n2)C1 ZINC000414230186 1119948372 /nfs/dbraw/zinc/94/83/72/1119948372.db2.gz ANMORYRSYZJYJH-SNVBAGLBSA-N 0 1 287.329 3.554 20 0 CHADMN C[C@@H](NCc1nccc(C(F)(F)F)n1)C1CCCCC1 ZINC000414231407 1119949174 /nfs/dbraw/zinc/94/91/74/1119949174.db2.gz BXSJCTCZGLVJHS-SNVBAGLBSA-N 0 1 287.329 3.554 20 0 CHADMN COc1ccc(F)c(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000628392472 1119953554 /nfs/dbraw/zinc/95/35/54/1119953554.db2.gz QPUCOYILEZYFAR-QWRGUYRKSA-N 0 1 287.325 3.557 20 0 CHADMN C[C@@H]1C[C@H](CN[C@H](CCc2ccccc2)C(F)F)[C@@H](C)O1 ZINC000414249386 1119956031 /nfs/dbraw/zinc/95/60/31/1119956031.db2.gz FGHJJVFVOOKFCL-RRCSTGOVSA-N 0 1 297.389 3.656 20 0 CHADMN COc1ccccc1[C@@H](NCCC(C)C)c1ccccn1 ZINC000190792961 1128880150 /nfs/dbraw/zinc/88/01/50/1128880150.db2.gz AIPQOYSRIDHILZ-GOSISDBHSA-N 0 1 284.403 3.815 20 0 CHADMN COc1ccc(CN[C@H](C)c2cccc(OC(F)F)c2)o1 ZINC000892582712 1119957532 /nfs/dbraw/zinc/95/75/32/1119957532.db2.gz JWNJGYHENXTNGM-SNVBAGLBSA-N 0 1 297.301 3.740 20 0 CHADMN CCCN(Cc1coc(-c2cccc(F)c2)n1)C1CC1 ZINC000170900937 1119966790 /nfs/dbraw/zinc/96/67/90/1119966790.db2.gz AWXZGMFXXTTZMS-UHFFFAOYSA-N 0 1 274.339 3.855 20 0 CHADMN CCC1(C)CCC(N[C@H](C)c2csnn2)CC1 ZINC000414296261 1119969993 /nfs/dbraw/zinc/96/99/93/1119969993.db2.gz GJPXGZUZHDMIBA-XSRFYTQQSA-N 0 1 253.415 3.548 20 0 CHADMN C[C@@H](CCC1CCCC1)N[C@@H](C)c1csnn1 ZINC000414296178 1119970275 /nfs/dbraw/zinc/97/02/75/1119970275.db2.gz GAAMNDCGGSEEKX-QWRGUYRKSA-N 0 1 253.415 3.548 20 0 CHADMN CC(C)[C@@H]1CC[C@@H](N[C@@H](C)c2csnn2)C[C@H]1C ZINC000414297323 1119971331 /nfs/dbraw/zinc/97/13/31/1119971331.db2.gz HFMLCWAHDFGEQI-XQHKEYJVSA-N 0 1 267.442 3.650 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H](c2ccccc2)C1)c1csnn1 ZINC000414296819 1119971530 /nfs/dbraw/zinc/97/15/30/1119971530.db2.gz GXDQPQTUQQEIFV-YUTCNCBUSA-N 0 1 273.405 3.525 20 0 CHADMN CCn1ccnc1NCc1ccc(Cl)c(Cl)c1 ZINC000414301399 1119972329 /nfs/dbraw/zinc/97/23/29/1119972329.db2.gz MVPQZLXLXQEHQB-UHFFFAOYSA-N 0 1 270.163 3.822 20 0 CHADMN Cc1occc1CNCc1ccc(N2CCC(C)CC2)nc1 ZINC000414312654 1119979404 /nfs/dbraw/zinc/97/94/04/1119979404.db2.gz NXUBKKBXJSDKQF-UHFFFAOYSA-N 0 1 299.418 3.509 20 0 CHADMN CC(C)c1nc(CN2CCCC23CCC3)cs1 ZINC000368437241 1119982058 /nfs/dbraw/zinc/98/20/58/1119982058.db2.gz DPBGPZDRFAWHAH-UHFFFAOYSA-N 0 1 250.411 3.785 20 0 CHADMN COc1ccccc1CNCc1cnc(CC(C)C)s1 ZINC000161939380 1119985776 /nfs/dbraw/zinc/98/57/76/1119985776.db2.gz PTWBSKPDADYGSE-UHFFFAOYSA-N 0 1 290.432 3.640 20 0 CHADMN CC(C)=CCC[C@@H](C)NCc1nnc(C2CC2)s1 ZINC000414330046 1119986137 /nfs/dbraw/zinc/98/61/37/1119986137.db2.gz RHFYFZPPFAVQRI-LLVKDONJSA-N 0 1 265.426 3.640 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1nccs1 ZINC000414340527 1119990321 /nfs/dbraw/zinc/99/03/21/1119990321.db2.gz UOMRGMNVDVSXAZ-UTUOFQBUSA-N 0 1 282.453 3.776 20 0 CHADMN Cc1cc(N2CC[C@H](C(F)F)C2)c2cc(F)ccc2n1 ZINC000685919657 1119998509 /nfs/dbraw/zinc/99/85/09/1119998509.db2.gz PPYSOTVVAGGZGI-JTQLQIEISA-N 0 1 280.293 3.774 20 0 CHADMN CCc1ncc(CN(Cc2cccs2)C(C)C)cn1 ZINC000414372221 1120003572 /nfs/dbraw/zinc/00/35/72/1120003572.db2.gz PDTVDAKFPWSOLP-UHFFFAOYSA-N 0 1 275.421 3.511 20 0 CHADMN Cc1cccc(-c2nnc([C@@H](C)N3CCCCC3)o2)c1 ZINC000376476162 1120005465 /nfs/dbraw/zinc/00/54/65/1120005465.db2.gz GANRFWXDGFBMBL-CYBMUJFWSA-N 0 1 271.364 3.592 20 0 CHADMN Cc1cc(CNCc2ccccc2OC(C)C)cnc1F ZINC000892650319 1120010801 /nfs/dbraw/zinc/01/08/01/1120010801.db2.gz GUFXBOFRQVYNJX-UHFFFAOYSA-N 0 1 288.366 3.606 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2c[nH]nc21)c1cccs1 ZINC000376490902 1120012548 /nfs/dbraw/zinc/01/25/48/1120012548.db2.gz IRVLJHNOHFNAGY-NWDGAFQWSA-N 0 1 261.394 3.590 20 0 CHADMN CC[C@H](C)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000068449900 1120013877 /nfs/dbraw/zinc/01/38/77/1120013877.db2.gz YWDUUYCMESFYAX-VIFPVBQESA-N 0 1 289.206 3.662 20 0 CHADMN COc1ccc(CNCc2ccc(F)c(Cl)c2)cc1F ZINC000053155519 1120014940 /nfs/dbraw/zinc/01/49/40/1120014940.db2.gz LKQAJDMCIJPHLT-UHFFFAOYSA-N 0 1 297.732 3.917 20 0 CHADMN Cc1csc(CN(CCc2ccccc2)C2CC2)n1 ZINC000756033756 1120019250 /nfs/dbraw/zinc/01/92/50/1120019250.db2.gz CIHQLQUYMSMOSC-UHFFFAOYSA-N 0 1 272.417 3.659 20 0 CHADMN Cc1scc(CN[C@@H](C)c2ccc(F)cn2)c1C ZINC000399909052 1120022669 /nfs/dbraw/zinc/02/26/69/1120022669.db2.gz WAPUYLJCOHKEHO-JTQLQIEISA-N 0 1 264.369 3.750 20 0 CHADMN CN(C(=O)c1cccc(F)c1O)c1ccc(F)c(Cl)c1 ZINC001127631569 1128885860 /nfs/dbraw/zinc/88/58/60/1128885860.db2.gz READHBLHFFAZRF-UHFFFAOYSA-N 0 1 297.688 3.600 20 0 CHADMN Oc1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1Cl ZINC000628422899 1120048542 /nfs/dbraw/zinc/04/85/42/1120048542.db2.gz QSEVQTXOMXEZMT-NEPJUHHUSA-N 0 1 283.824 3.516 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1Cl ZINC000628422899 1120048546 /nfs/dbraw/zinc/04/85/46/1120048546.db2.gz QSEVQTXOMXEZMT-NEPJUHHUSA-N 0 1 283.824 3.516 20 0 CHADMN [O-]c1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1Cl ZINC000628422899 1120048549 /nfs/dbraw/zinc/04/85/49/1120048549.db2.gz QSEVQTXOMXEZMT-NEPJUHHUSA-N 0 1 283.824 3.516 20 0 CHADMN Cc1nc(CN2CCC[C@@H](C(C)C)CC2)oc1C ZINC000114729492 1120050264 /nfs/dbraw/zinc/05/02/64/1120050264.db2.gz AYYUCZWRBMBHML-CQSZACIVSA-N 0 1 250.386 3.550 20 0 CHADMN Cc1ccc2nc(N)n(-c3cc(Cl)ccc3F)c2c1 ZINC000094660768 1120053286 /nfs/dbraw/zinc/05/32/86/1120053286.db2.gz NKMGXSYVZATKHK-UHFFFAOYSA-N 0 1 275.714 3.709 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc(C)cc3C)c2c1 ZINC000094660696 1120053322 /nfs/dbraw/zinc/05/33/22/1120053322.db2.gz NFNVPOUMGNDIEN-UHFFFAOYSA-N 0 1 251.333 3.533 20 0 CHADMN CCC(C)=CC(=O)Nc1ccc(-c2nc(C)c(C)[nH]2)cc1 ZINC000921656876 1120056758 /nfs/dbraw/zinc/05/67/58/1120056758.db2.gz POXVSYYBIHJTPI-KHPPLWFESA-N 0 1 283.375 3.988 20 0 CHADMN CC(=O)c1cc(CN2CC[C@@H](C)C3(CCCCC3)C2)on1 ZINC000580208383 1120066363 /nfs/dbraw/zinc/06/63/63/1120066363.db2.gz BDQDIGGLMJLACW-CYBMUJFWSA-N 0 1 290.407 3.670 20 0 CHADMN O=C(CCc1cnc[nH]1)Nc1cccc(-c2cccs2)c1 ZINC000352810782 1120067326 /nfs/dbraw/zinc/06/73/26/1120067326.db2.gz PIGRNJQQFGTMRK-UHFFFAOYSA-N 0 1 297.383 3.710 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnn1C)c1coc2ccccc12 ZINC000926813880 1120069397 /nfs/dbraw/zinc/06/93/97/1120069397.db2.gz VNKQVUSLBGGHDA-NEPJUHHUSA-N 0 1 269.348 3.578 20 0 CHADMN Clc1ncsc1C[N@H+]1CCCC2(CCCC2)C1 ZINC001137817597 1120079613 /nfs/dbraw/zinc/07/96/13/1120079613.db2.gz YRMOONBBIBLAKA-UHFFFAOYSA-N 0 1 270.829 3.953 20 0 CHADMN Clc1ncsc1CN1CCCC2(CCCC2)C1 ZINC001137817597 1120079616 /nfs/dbraw/zinc/07/96/16/1120079616.db2.gz YRMOONBBIBLAKA-UHFFFAOYSA-N 0 1 270.829 3.953 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2cccc3ccccc32)no1 ZINC000109510178 1120081073 /nfs/dbraw/zinc/08/10/73/1120081073.db2.gz BCVLHRVPMUJJLW-LBPRGKRZSA-N 0 1 281.359 3.950 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cncs2)c(C)c1 ZINC000903311373 1120081453 /nfs/dbraw/zinc/08/14/53/1120081453.db2.gz OUTGCBFIFXKPEQ-NWDGAFQWSA-N 0 1 276.405 3.872 20 0 CHADMN COc1cc([C@H](C)N[C@@H](c2cccs2)C2CC2)on1 ZINC000924593022 1120082917 /nfs/dbraw/zinc/08/29/17/1120082917.db2.gz UVLOPQSTYOHZQA-LKFCYVNXSA-N 0 1 278.377 3.547 20 0 CHADMN Cc1nc(F)ccc1CNCc1ccc(F)c(Cl)c1 ZINC000785445510 1120087135 /nfs/dbraw/zinc/08/71/35/1120087135.db2.gz HLAVBUYCPKTSFE-UHFFFAOYSA-N 0 1 282.721 3.611 20 0 CHADMN C[C@H](NCc1cn(C)cn1)c1ccc(C2CCC2)cc1 ZINC000903351394 1120087570 /nfs/dbraw/zinc/08/75/70/1120087570.db2.gz KQXKBYNOVJJSTI-ZDUSSCGKSA-N 0 1 269.392 3.538 20 0 CHADMN Cc1cnc(CN[C@H](C)c2sccc2C)s1 ZINC000168354024 1120090819 /nfs/dbraw/zinc/09/08/19/1120090819.db2.gz JEGDZDPRIZEMKJ-SNVBAGLBSA-N 0 1 252.408 3.672 20 0 CHADMN C[C@H](NC[C@H]1CCCCO1)c1c(F)cccc1Cl ZINC000181731619 1120106404 /nfs/dbraw/zinc/10/64/04/1120106404.db2.gz IFYFKQKLOUTYBV-WDEREUQCSA-N 0 1 271.763 3.699 20 0 CHADMN CCN(C)[C@H](C(=O)NC1CCCCCC1)c1ccccc1 ZINC000589991059 1120107196 /nfs/dbraw/zinc/10/71/96/1120107196.db2.gz DDUGSLQGAMLXIT-KRWDZBQOSA-N 0 1 288.435 3.518 20 0 CHADMN N#C[C@@H](C(=O)CCC1CCCC1)c1cnc2ccccc2n1 ZINC000190910731 1128890960 /nfs/dbraw/zinc/89/09/60/1128890960.db2.gz BDAXTIMYMZQZLM-CQSZACIVSA-N 0 1 293.370 3.776 20 0 CHADMN O=C([O-])[C@@H]1C[N@H+]([C@H]2C=CCCCCC2)C[C@H]1c1ccccc1 ZINC000659797699 1120111726 /nfs/dbraw/zinc/11/17/26/1120111726.db2.gz VTUWWRWPUWSBLI-OKZBNKHCSA-N 0 1 299.414 3.676 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1CCCC1CCCC1 ZINC000659798317 1120112357 /nfs/dbraw/zinc/11/23/57/1120112357.db2.gz SXFPQZJCPNFIMI-IPYPFGDCSA-N 0 1 267.413 3.530 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000659802937 1120113048 /nfs/dbraw/zinc/11/30/48/1120113048.db2.gz AIJYWQWUCZDHBZ-JSGCOSHPSA-N 0 1 299.370 3.701 20 0 CHADMN CCCCC[C@H]1CCCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000659803061 1120113377 /nfs/dbraw/zinc/11/33/77/1120113377.db2.gz AWOVXVMTTKPFKP-AWEZNQCLSA-N 0 1 279.380 3.913 20 0 CHADMN CC[C@H](C)O[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001204630775 1120114810 /nfs/dbraw/zinc/11/48/10/1120114810.db2.gz UVUCXGHZKUICCS-JSGCOSHPSA-N 0 1 267.800 3.729 20 0 CHADMN CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000659804091 1120114855 /nfs/dbraw/zinc/11/48/55/1120114855.db2.gz SSDKNEFTBVFKEZ-SMDDNHRTSA-N 0 1 279.355 3.677 20 0 CHADMN COc1cc(CN2CCC[C@@H]2c2ccc(C)cc2)sn1 ZINC000659810289 1120115704 /nfs/dbraw/zinc/11/57/04/1120115704.db2.gz KNDFUPNBKSCYQW-OAHLLOKOSA-N 0 1 288.416 3.797 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccc(F)cc2)nc(C)n1 ZINC000659820892 1120117377 /nfs/dbraw/zinc/11/73/77/1120117377.db2.gz VVKAMDRRAPCXOE-KRWDZBQOSA-N 0 1 285.366 3.570 20 0 CHADMN c1ccc2c(c1)NCC[C@H]2Nc1cc(OCC2CC2)ccn1 ZINC001168639265 1120125723 /nfs/dbraw/zinc/12/57/23/1120125723.db2.gz BMIRXGHIUJLSDY-QGZVFWFLSA-N 0 1 295.386 3.839 20 0 CHADMN COc1ccc(CNCc2ccsc2)c(Cl)c1OC ZINC000110823395 1120129064 /nfs/dbraw/zinc/12/90/64/1120129064.db2.gz JLSJVBMGGZNVLF-UHFFFAOYSA-N 0 1 297.807 3.709 20 0 CHADMN CCc1onc(C)c1CNCc1ccc2[nH]c(C)c(C)c2c1 ZINC000892730360 1120130055 /nfs/dbraw/zinc/13/00/55/1120130055.db2.gz HBTFXQOSZHYGEM-UHFFFAOYSA-N 0 1 297.402 3.933 20 0 CHADMN C[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1c(F)cccc1Cl ZINC000903694176 1120131627 /nfs/dbraw/zinc/13/16/27/1120131627.db2.gz YNWDZTJLKXSNSM-UHFFFAOYSA-N 0 1 299.773 3.556 20 0 CHADMN CSc1cccc(CN2CC[C@H](C(F)(F)F)C2)c1 ZINC000851876274 1120134763 /nfs/dbraw/zinc/13/47/63/1120134763.db2.gz WICGHSPIZKFHID-NSHDSACASA-N 0 1 275.339 3.793 20 0 CHADMN CC(C)c1nnc(CNC[C@@H](C)c2cccc(F)c2)s1 ZINC000892745564 1120134919 /nfs/dbraw/zinc/13/49/19/1120134919.db2.gz RZHURDGOYPVRAK-LLVKDONJSA-N 0 1 293.411 3.694 20 0 CHADMN CCc1cc(CN2CCC[C@@H]2c2ccc(OC)cc2)on1 ZINC001203221511 1120137579 /nfs/dbraw/zinc/13/75/79/1120137579.db2.gz XXAYPEZUJKNUMK-QGZVFWFLSA-N 0 1 286.375 3.583 20 0 CHADMN C[C@H](O)CC(C)(C)CN[C@H](c1ccco1)c1ccccc1 ZINC000183778849 1120140954 /nfs/dbraw/zinc/14/09/54/1120140954.db2.gz MNJKRRDKHSWTSD-YOEHRIQHSA-N 0 1 287.403 3.756 20 0 CHADMN CCc1nc([C@H](C)N(CC)Cc2ccccc2Cl)n[nH]1 ZINC000659837330 1120144308 /nfs/dbraw/zinc/14/43/08/1120144308.db2.gz ZRHCLDAHIUDUJD-NSHDSACASA-N 0 1 292.814 3.604 20 0 CHADMN CC[C@@H](NCc1ccccc1CO)c1ccccc1F ZINC000542774621 1120145160 /nfs/dbraw/zinc/14/51/60/1120145160.db2.gz UPQVOBHYJJJLQE-QGZVFWFLSA-N 0 1 273.351 3.559 20 0 CHADMN Fc1cccc(F)c1C1(NCCOC2CCC2)CCC1 ZINC000626178884 1120145903 /nfs/dbraw/zinc/14/59/03/1120145903.db2.gz MZROPMUZZSOTFG-UHFFFAOYSA-N 0 1 281.346 3.503 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3csc(-c4cccs4)n3)C[C@@H]21 ZINC000172972752 1120148560 /nfs/dbraw/zinc/14/85/60/1120148560.db2.gz RYHPSPFYAGYERA-TXEJJXNPSA-N 0 1 290.457 3.959 20 0 CHADMN Cc1nc2cc(N[C@@H]3CCNc4ccccc43)ccc2[nH]1 ZINC001168645521 1120149339 /nfs/dbraw/zinc/14/93/39/1120149339.db2.gz LPWGUQVPHXIHOJ-OAHLLOKOSA-N 0 1 278.359 3.840 20 0 CHADMN Cc1cc(C)c(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)c(C)c1 ZINC000053300556 1120150065 /nfs/dbraw/zinc/15/00/65/1120150065.db2.gz OHKZBCGSPRCLDP-INIZCTEOSA-N 0 1 289.419 3.689 20 0 CHADMN Cc1ncsc1CN(C)CCCC(=O)c1ccccc1 ZINC000111671527 1120155229 /nfs/dbraw/zinc/15/52/29/1120155229.db2.gz XWSNKZNZVYXTCD-UHFFFAOYSA-N 0 1 288.416 3.546 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)CCS2 ZINC000631756005 1128895022 /nfs/dbraw/zinc/89/50/22/1128895022.db2.gz HNFQSUBZWMVEJZ-OUAUKWLOSA-N 0 1 291.313 3.903 20 0 CHADMN CCOc1ccc(CN[C@H]2CCc3ccc(F)cc32)o1 ZINC000892920043 1120161983 /nfs/dbraw/zinc/16/19/83/1120161983.db2.gz GQYNJWQKYHAJKV-HNNXBMFYSA-N 0 1 275.323 3.595 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1cn2c(cccc2C)n1 ZINC000765900711 1120162608 /nfs/dbraw/zinc/16/26/08/1120162608.db2.gz RVZFNFRAVKKTOU-SFHVURJKSA-N 0 1 291.398 3.728 20 0 CHADMN CC1(c2noc(-c3cc(-c4ccoc4)n[nH]3)n2)CCCC1 ZINC000624756281 1120163009 /nfs/dbraw/zinc/16/30/09/1120163009.db2.gz XZCAWXAQIMAJQR-UHFFFAOYSA-N 0 1 284.319 3.551 20 0 CHADMN COc1cncc(CN(Cc2ccc(C)c(C)c2)C2CC2)c1 ZINC000343843411 1120164768 /nfs/dbraw/zinc/16/47/68/1120164768.db2.gz FVJWZBYJAMFLSS-UHFFFAOYSA-N 0 1 296.414 3.872 20 0 CHADMN Cc1cc2cc[nH]c2c(N[C@@H]2CCCc3cccnc32)n1 ZINC001168650979 1120166560 /nfs/dbraw/zinc/16/65/60/1120166560.db2.gz ODINDEQMLKXYMU-CQSZACIVSA-N 0 1 278.359 3.756 20 0 CHADMN Cc1cc2cc[nH]c2c(N[C@H]2CCCc3cccnc32)n1 ZINC001168650978 1120166782 /nfs/dbraw/zinc/16/67/82/1120166782.db2.gz ODINDEQMLKXYMU-AWEZNQCLSA-N 0 1 278.359 3.756 20 0 CHADMN C[N@@H+](CCC(F)(F)F)Cc1cccc(Br)c1 ZINC000112033123 1120168370 /nfs/dbraw/zinc/16/83/70/1120168370.db2.gz UHXCZAJZWKFURY-UHFFFAOYSA-N 0 1 296.130 3.833 20 0 CHADMN CN(CCC(F)(F)F)Cc1cccc(Br)c1 ZINC000112033123 1120168372 /nfs/dbraw/zinc/16/83/72/1120168372.db2.gz UHXCZAJZWKFURY-UHFFFAOYSA-N 0 1 296.130 3.833 20 0 CHADMN CCC[C@@H](CC)NCc1csc(C(F)(F)F)n1 ZINC000892942000 1120169640 /nfs/dbraw/zinc/16/96/40/1120169640.db2.gz PKWKRJWVQOWTPA-MRVPVSSYSA-N 0 1 266.332 3.830 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1nc(-c2ccc(F)cc2)no1 ZINC000108863945 1120173017 /nfs/dbraw/zinc/17/30/17/1120173017.db2.gz QIQASMVPOVXWOC-VXGBXAGGSA-N 0 1 289.354 3.639 20 0 CHADMN c1ccc([C@H]2CCCN2Cc2noc3c2CCCC3)cc1 ZINC000108851623 1120173142 /nfs/dbraw/zinc/17/31/42/1120173142.db2.gz FIMNDNWONQPKBF-QGZVFWFLSA-N 0 1 282.387 3.891 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1cnc2ccccc2n1 ZINC000659847274 1120182162 /nfs/dbraw/zinc/18/21/62/1120182162.db2.gz ZVZGDAWWVKSYOH-LBPRGKRZSA-N 0 1 283.400 3.884 20 0 CHADMN COc1ccc(CN[C@@H](CC2CC2)c2ccccc2)o1 ZINC000892964220 1120183036 /nfs/dbraw/zinc/18/30/36/1120183036.db2.gz ZXAFXGJGDONEMJ-INIZCTEOSA-N 0 1 271.360 3.919 20 0 CHADMN O=C(CCc1cnc[nH]1)Nc1ccccc1-c1cccs1 ZINC000354114379 1120184879 /nfs/dbraw/zinc/18/48/79/1120184879.db2.gz GRRFRZXXWLEPQT-UHFFFAOYSA-N 0 1 297.383 3.710 20 0 CHADMN Cc1ccc(-c2ccc3[nH]c(N)[nH+]c3c2)c(Cl)c1 ZINC001239863679 1120186381 /nfs/dbraw/zinc/18/63/81/1120186381.db2.gz ZHDDYAIAMSSDFA-UHFFFAOYSA-N 0 1 257.724 3.774 20 0 CHADMN COc1cccc([C@@H](C)NCc2ccc(C)c(C)n2)c1 ZINC000314341697 1120187726 /nfs/dbraw/zinc/18/77/26/1120187726.db2.gz VBKAXZPMVYAWBA-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN CCSc1cccc(CN[C@H](C)c2c[nH]nc2C)c1 ZINC000644555792 1120188649 /nfs/dbraw/zinc/18/86/49/1120188649.db2.gz VJLXWESIWXSCQN-LLVKDONJSA-N 0 1 275.421 3.681 20 0 CHADMN Oc1cc(Cl)cc(CNC2(c3cccc(F)c3)CC2)c1 ZINC000892990158 1120190708 /nfs/dbraw/zinc/19/07/08/1120190708.db2.gz XXZDAFZFZQXKNW-UHFFFAOYSA-N 0 1 291.753 3.964 20 0 CHADMN CC(C)(C)c1ncc(CNC(C)(C)c2ccccc2)cn1 ZINC000314382890 1120190802 /nfs/dbraw/zinc/19/08/02/1120190802.db2.gz TZIPVVPSVILMNP-UHFFFAOYSA-N 0 1 283.419 3.799 20 0 CHADMN Cc1ccc(C[C@@H](C)NCc2nnc(C(C)C)s2)s1 ZINC000893004996 1120195119 /nfs/dbraw/zinc/19/51/19/1120195119.db2.gz NZRAOOHLLJKAQG-SNVBAGLBSA-N 0 1 295.477 3.752 20 0 CHADMN CC(C)(NCc1cnn(C2CCC2)c1)c1cccc(F)c1 ZINC000921759935 1120200028 /nfs/dbraw/zinc/20/00/28/1120200028.db2.gz CDXBWVSAZOFKOJ-UHFFFAOYSA-N 0 1 287.382 3.772 20 0 CHADMN CCOC1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000060493360 1120200478 /nfs/dbraw/zinc/20/04/78/1120200478.db2.gz ITDQEQSDQQBDLZ-UHFFFAOYSA-N 0 1 287.325 3.706 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H](C)COc2ccc(C)cc2)cs1 ZINC000040499593 1120203014 /nfs/dbraw/zinc/20/30/14/1120203014.db2.gz KHMMGIRMAHHXSC-QWHCGFSZSA-N 0 1 290.432 3.878 20 0 CHADMN c1coc(CN2CCC[C@H](CCc3ccccc3)C2)n1 ZINC001141012411 1120204805 /nfs/dbraw/zinc/20/48/05/1120204805.db2.gz LDFMOFYJLLPLRL-MRXNPFEDSA-N 0 1 270.376 3.519 20 0 CHADMN CC[C@@H](C(=O)O[C@@H](C)c1ccc(F)cc1F)N(CC)CC ZINC000745093867 1120206496 /nfs/dbraw/zinc/20/64/96/1120206496.db2.gz IXKZRXXBPRRTFD-NHYWBVRUSA-N 0 1 299.361 3.689 20 0 CHADMN CCOc1cccc(CN[C@H](COC)c2ccccc2)c1 ZINC000113355542 1120208053 /nfs/dbraw/zinc/20/80/53/1120208053.db2.gz ZZUMJYXNACRDFZ-GOSISDBHSA-N 0 1 285.387 3.563 20 0 CHADMN CCC(C)(C)CC(=O)Nc1cccc(Cl)c1O ZINC000073144151 1120209471 /nfs/dbraw/zinc/20/94/71/1120209471.db2.gz WOQQPPTZGDGCGU-UHFFFAOYSA-N 0 1 255.745 3.810 20 0 CHADMN Cc1ccc(CC[C@H](C)NCc2nc(C(C)(C)C)co2)o1 ZINC000921789209 1120212691 /nfs/dbraw/zinc/21/26/91/1120212691.db2.gz NVXLAARSKKYKMB-LBPRGKRZSA-N 0 1 290.407 3.984 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)N1CCC[C@H](n2cccn2)C1 ZINC000338724749 1120213125 /nfs/dbraw/zinc/21/31/25/1120213125.db2.gz JYJRBHOSXKMBHH-BBRMVZONSA-N 0 1 289.810 3.935 20 0 CHADMN c1cc(CN2CCCCC[C@@H]2c2ccccc2)no1 ZINC000172651371 1120216587 /nfs/dbraw/zinc/21/65/87/1120216587.db2.gz IGNIUBGRBYHTSA-MRXNPFEDSA-N 0 1 256.349 3.792 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CNCc1c(C)cccc1F ZINC000893085602 1120217657 /nfs/dbraw/zinc/21/76/57/1120217657.db2.gz JAXNWAGLYRRGRB-UHFFFAOYSA-N 0 1 289.398 3.818 20 0 CHADMN COC(=O)c1coc(CN2CCC[C@H]2c2cccc(C)c2)c1 ZINC000338728792 1120217925 /nfs/dbraw/zinc/21/79/25/1120217925.db2.gz UAUQHVNMOORNEJ-KRWDZBQOSA-N 0 1 299.370 3.712 20 0 CHADMN CC(C)n1ccnc1C[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000177541704 1120218938 /nfs/dbraw/zinc/21/89/38/1120218938.db2.gz XUIBIQLIZQHJBP-RDJZCZTQSA-N 0 1 283.419 3.842 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 ZINC000061804479 1120231329 /nfs/dbraw/zinc/23/13/29/1120231329.db2.gz KUQDZYWSPYCXRH-HNNXBMFYSA-N 0 1 284.378 3.709 20 0 CHADMN CCCSC[C@@H](C)NCc1ccn(C2CCCC2)n1 ZINC000893142911 1120236576 /nfs/dbraw/zinc/23/65/76/1120236576.db2.gz HGHLYRPSJWGKHB-CYBMUJFWSA-N 0 1 281.469 3.620 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2cc3c(s2)CC[C@@H](C)C3)n1 ZINC000843148087 1120243256 /nfs/dbraw/zinc/24/32/56/1120243256.db2.gz MJGSDKHITNNOEX-RNCFNFMXSA-N 0 1 291.420 3.579 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2cc3c(cccc3F)s2)n1 ZINC000843148112 1120243751 /nfs/dbraw/zinc/24/37/51/1120243751.db2.gz NCTCFADABKRGHP-GFCCVEGCSA-N 0 1 291.351 3.746 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2ccc(-c3ccccc3)o2)n1 ZINC000843148733 1120247729 /nfs/dbraw/zinc/24/77/29/1120247729.db2.gz WHTKTEJJGUJXON-AWEZNQCLSA-N 0 1 283.331 3.652 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@H](C)c2cccc(Cl)c2)n1 ZINC000843149816 1120252828 /nfs/dbraw/zinc/25/28/28/1120252828.db2.gz QRPSWKQBZBSZPB-BXKDBHETSA-N 0 1 279.771 3.531 20 0 CHADMN Cc1cc(Cl)c(-c2nc([C@@H](N)C(C)C)no2)cc1C ZINC000843149272 1120254066 /nfs/dbraw/zinc/25/40/66/1120254066.db2.gz LKLSTHWJGWLAMV-LBPRGKRZSA-N 0 1 279.771 3.663 20 0 CHADMN Cc1ccc2c(c1C)OC[C@H]2N[C@H](C)c1cnccc1C ZINC000271492445 1120254831 /nfs/dbraw/zinc/25/48/31/1120254831.db2.gz PBWYXKZKQFDMNX-RHSMWYFYSA-N 0 1 282.387 3.791 20 0 CHADMN CC(C)[C@H]1N(Cc2ccncc2F)CC12CCCC2 ZINC000449791058 1128902805 /nfs/dbraw/zinc/90/28/05/1128902805.db2.gz NLFUWAODHXVESI-OAHLLOKOSA-N 0 1 262.372 3.621 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000180127723 1120266785 /nfs/dbraw/zinc/26/67/85/1120266785.db2.gz QVAIMJJBDAGPLY-VHSXEESVSA-N 0 1 295.333 3.731 20 0 CHADMN CC1(C)CCN(C(=O)c2ccc3cncn3c2)CC(C)(C)C1 ZINC000618281912 1128903442 /nfs/dbraw/zinc/90/34/42/1128903442.db2.gz XSHCVUIRCLJYPB-UHFFFAOYSA-N 0 1 299.418 3.623 20 0 CHADMN CC(=O)[C@@H](N[C@@H]1Cc2cccc(Cl)c2C1)c1ccccc1 ZINC001168693511 1120271107 /nfs/dbraw/zinc/27/11/07/1120271107.db2.gz SFVVOTGSFWCDQW-CRAIPNDOSA-N 0 1 299.801 3.727 20 0 CHADMN Cc1ccc2oc(NCCc3ccc4cn[nH]c4c3)nc2c1 ZINC000672294771 1120277733 /nfs/dbraw/zinc/27/77/33/1120277733.db2.gz MQYARVXFOYQEPE-UHFFFAOYSA-N 0 1 292.342 3.667 20 0 CHADMN CCN(Cc1nnc(-c2cccc(Cl)c2)o1)C(C)C ZINC000106860320 1120280224 /nfs/dbraw/zinc/28/02/24/1120280224.db2.gz AZBWTYDXYRRABV-UHFFFAOYSA-N 0 1 279.771 3.620 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2CCCC(F)(F)C2)c(C)s1 ZINC000678600103 1120280616 /nfs/dbraw/zinc/28/06/16/1120280616.db2.gz IVIVJTDYWIRUPF-GZMMTYOYSA-N 0 1 274.380 3.988 20 0 CHADMN CC(C)C[C@@H]1CCCCCN1C(=O)c1cccc2c[nH]nc21 ZINC000499518377 1120283230 /nfs/dbraw/zinc/28/32/30/1120283230.db2.gz IJJBVZKSCZPXGI-HNNXBMFYSA-N 0 1 299.418 3.994 20 0 CHADMN Cc1cc(C)c(Cn2cnc3cc(F)c(F)cc32)c(C)n1 ZINC000631009239 1120288886 /nfs/dbraw/zinc/28/88/86/1120288886.db2.gz SXHIRUOLSQTUKZ-UHFFFAOYSA-N 0 1 287.313 3.683 20 0 CHADMN C[C@@H]1SCC[C@@H]1N[C@H](c1ccccc1)c1ccccn1 ZINC000313284158 1120293938 /nfs/dbraw/zinc/29/39/38/1120293938.db2.gz DOACKJJBTWOHSK-JLJPHGGASA-N 0 1 284.428 3.655 20 0 CHADMN CC[C@@H]([NH2+]Cc1nc(C)ccc1[O-])C1CCCCC1 ZINC000112716946 1120294083 /nfs/dbraw/zinc/29/40/83/1120294083.db2.gz VMOFCSUHCFMPSR-CQSZACIVSA-N 0 1 262.397 3.544 20 0 CHADMN CCc1nnc([C@H](C)N2C[C@@H](c3ccccc3C)C[C@H]2C)[nH]1 ZINC000659940953 1120297404 /nfs/dbraw/zinc/29/74/04/1120297404.db2.gz RHCOKVAVZBELKO-ILXRZTDVSA-N 0 1 298.434 3.615 20 0 CHADMN CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@H]1c1ccsc1 ZINC000339140253 1120297952 /nfs/dbraw/zinc/29/79/52/1120297952.db2.gz HQIDZESLEUXMGP-YDHLFZDLSA-N 0 1 294.464 3.578 20 0 CHADMN Cc1csc(C2(NCc3ccc(O)cc3)CCCC2)n1 ZINC000679394197 1120304350 /nfs/dbraw/zinc/30/43/50/1120304350.db2.gz IFUMBUYGBLWBHH-UHFFFAOYSA-N 0 1 288.416 3.716 20 0 CHADMN Cc1ccc(F)cc1C(=O)Nc1cccc(Cl)c1O ZINC000077010646 1120305664 /nfs/dbraw/zinc/30/56/64/1120305664.db2.gz AFZHQHQTIXHXDO-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN CN(C(=O)c1cc(C2CC2)[nH]n1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416305540 1120306627 /nfs/dbraw/zinc/30/66/27/1120306627.db2.gz IYQUPAJZEJMNPO-IUODEOHRSA-N 0 1 289.423 3.574 20 0 CHADMN CCCN[C@H](C)c1nc(Cc2ccc(C(C)C)cc2)no1 ZINC000843177008 1120306956 /nfs/dbraw/zinc/30/69/56/1120306956.db2.gz ZZSUESPWYSOHLL-CYBMUJFWSA-N 0 1 287.407 3.844 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(C)Cc1nc(C)oc1C ZINC000659954830 1120308428 /nfs/dbraw/zinc/30/84/28/1120308428.db2.gz LUYMAJRGMFVTBI-INIZCTEOSA-N 0 1 272.392 3.745 20 0 CHADMN Cc1nc(CN2CCCC3(C2)CCCCCC3)co1 ZINC000659958238 1120308701 /nfs/dbraw/zinc/30/87/01/1120308701.db2.gz CFXUNGQHGCSLHB-UHFFFAOYSA-N 0 1 262.397 3.919 20 0 CHADMN CC(C)Oc1ccc(NC(=O)c2ccc(F)cc2O)cc1 ZINC000228308287 1120312161 /nfs/dbraw/zinc/31/21/61/1120312161.db2.gz XFWGOWUVBDIVAV-UHFFFAOYSA-N 0 1 289.306 3.571 20 0 CHADMN Brc1ccc([C@@H]2CCCN2CC2CCC2)nc1 ZINC000339167106 1120312222 /nfs/dbraw/zinc/31/22/22/1120312222.db2.gz TXBQIMDIFLZXSV-AWEZNQCLSA-N 0 1 295.224 3.781 20 0 CHADMN Brc1ccc([C@H]2CCCN2CCC2CC2)nc1 ZINC000339167200 1120312275 /nfs/dbraw/zinc/31/22/75/1120312275.db2.gz UTZCVTMQNRRVAB-CQSZACIVSA-N 0 1 295.224 3.781 20 0 CHADMN Cc1cc(C(=O)Nc2cc(Cl)c(O)cc2F)cs1 ZINC000672486520 1120313549 /nfs/dbraw/zinc/31/35/49/1120313549.db2.gz RARZKGJMFASMIH-UHFFFAOYSA-N 0 1 285.727 3.807 20 0 CHADMN CCC[N@@H+](CC1OCCO1)[C@@H](C)c1cc2ccccc2o1 ZINC000182076942 1120313628 /nfs/dbraw/zinc/31/36/28/1120313628.db2.gz QJDDIZRBYOUSOW-ZDUSSCGKSA-N 0 1 289.375 3.579 20 0 CHADMN CCCN(CC1OCCO1)[C@@H](C)c1cc2ccccc2o1 ZINC000182076942 1120313631 /nfs/dbraw/zinc/31/36/31/1120313631.db2.gz QJDDIZRBYOUSOW-ZDUSSCGKSA-N 0 1 289.375 3.579 20 0 CHADMN CCCO[C@H]1CCCN(Cc2cc(F)ccc2F)CC1 ZINC000108391671 1120314473 /nfs/dbraw/zinc/31/44/73/1120314473.db2.gz MELYNSAHQONAGD-HNNXBMFYSA-N 0 1 283.362 3.746 20 0 CHADMN COc1ccc2c(c1)OCC[C@H]2N[C@H](C)c1cncc(C)c1 ZINC000363809323 1120317185 /nfs/dbraw/zinc/31/71/85/1120317185.db2.gz BHNKRNBRYQKVKA-CXAGYDPISA-N 0 1 298.386 3.573 20 0 CHADMN CC1(C)CC[C@@H](NCc2csc(C(F)(F)F)n2)C1 ZINC000893221286 1120317454 /nfs/dbraw/zinc/31/74/54/1120317454.db2.gz OBOBRUUBYAQLPO-MRVPVSSYSA-N 0 1 278.343 3.830 20 0 CHADMN CC[C@@H](N[C@H](C)c1cc(C)n(C)n1)c1ccccc1 ZINC000282322496 1120319834 /nfs/dbraw/zinc/31/98/34/1120319834.db2.gz UKBPXUKDXTWNKY-UKRRQHHQSA-N 0 1 257.381 3.530 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000629364782 1128907938 /nfs/dbraw/zinc/90/79/38/1128907938.db2.gz SWHLVZZVHTUNEX-DGCLKSJQSA-N 0 1 295.345 3.542 20 0 CHADMN Clc1scc(CNC[C@H]2CCCCO2)c1Cl ZINC000309545720 1120321569 /nfs/dbraw/zinc/32/15/69/1120321569.db2.gz ZSYZYZWVQBYDHO-SECBINFHSA-N 0 1 280.220 3.714 20 0 CHADMN CSc1cccc(CN(C)Cc2cccc(O)c2)c1 ZINC000659983478 1120321864 /nfs/dbraw/zinc/32/18/64/1120321864.db2.gz NFFJAZMYOPNRQO-UHFFFAOYSA-N 0 1 273.401 3.746 20 0 CHADMN CCc1cnc(CN(C)C[C@@H]2CC[C@H]3C[C@H]3C2)s1 ZINC000659982137 1120323486 /nfs/dbraw/zinc/32/34/86/1120323486.db2.gz GGVQGHQCTBPETQ-FRRDWIJNSA-N 0 1 264.438 3.574 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000629363022 1128908102 /nfs/dbraw/zinc/90/81/02/1128908102.db2.gz FKBXHXHMISOORG-LSDHHAIUSA-N 0 1 269.429 3.780 20 0 CHADMN COc1nc(C)cc(C)c1CN(C)[C@H]1C[C@@H]1c1ccccc1 ZINC000672551728 1120324736 /nfs/dbraw/zinc/32/47/36/1120324736.db2.gz IRZMMXDAYMESGS-AEFFLSMTSA-N 0 1 296.414 3.695 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000629360237 1128908245 /nfs/dbraw/zinc/90/82/45/1128908245.db2.gz NVUUHBZJNRETET-JONQDZQNSA-N 0 1 281.440 3.921 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1cc(C2CC2)ccc1F ZINC000651377115 1120325730 /nfs/dbraw/zinc/32/57/30/1120325730.db2.gz FECBYPZFTLCWEX-SNVBAGLBSA-N 0 1 273.355 3.585 20 0 CHADMN CCSc1cccc(CN2CC3(CC(F)C3)C2)c1 ZINC000656695581 1120328646 /nfs/dbraw/zinc/32/86/46/1120328646.db2.gz NGVJVMBQKPHBQE-UHFFFAOYSA-N 0 1 265.397 3.733 20 0 CHADMN c1coc([C@H]2CN(CC[C@@H]3CCc4ccccc43)CCO2)c1 ZINC000659994331 1120330063 /nfs/dbraw/zinc/33/00/63/1120330063.db2.gz QRCMRMJPQOXRQB-QFBILLFUSA-N 0 1 297.398 3.773 20 0 CHADMN CN(CCCOc1ccccc1)Cc1nc2ccccc2o1 ZINC000042133283 1120334913 /nfs/dbraw/zinc/33/49/13/1120334913.db2.gz TVUUPFBBVJNMPL-UHFFFAOYSA-N 0 1 296.370 3.729 20 0 CHADMN CC[C@@H](Cc1ccccc1)[N@@H+](CC)Cc1coc(C)n1 ZINC000660002088 1120336266 /nfs/dbraw/zinc/33/62/66/1120336266.db2.gz DCICIALOSMISPH-KRWDZBQOSA-N 0 1 272.392 3.826 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCCC3(CC3)CC2)c1Cl ZINC000629378044 1128909057 /nfs/dbraw/zinc/90/90/57/1128909057.db2.gz MBFYDQDJRZMFIM-UHFFFAOYSA-N 0 1 293.794 3.804 20 0 CHADMN CC[C@@H](Cc1cccs1)N[C@@H]1CCCC1(F)F ZINC000672622632 1120337532 /nfs/dbraw/zinc/33/75/32/1120337532.db2.gz ONBMMDHFGZWJHI-CMPLNLGQSA-N 0 1 259.365 3.847 20 0 CHADMN COc1ccc([C@H](C)[C@H](C)N[C@@H]2CCCC2(F)F)cc1 ZINC000672622915 1120337547 /nfs/dbraw/zinc/33/75/47/1120337547.db2.gz YTKYOIZUCAQAKB-TYNCELHUSA-N 0 1 283.362 3.965 20 0 CHADMN C[C@@H]1CN(Cc2nccn2Cc2ccccc2)CC(C)(C)C1 ZINC000544112359 1120346906 /nfs/dbraw/zinc/34/69/06/1120346906.db2.gz BZYSSHJYXKGUSO-INIZCTEOSA-N 0 1 297.446 3.799 20 0 CHADMN COc1ccc(F)cc1[C@H](C)N[C@H](C)C1(Cl)CC1 ZINC000695646748 1120348813 /nfs/dbraw/zinc/34/88/13/1120348813.db2.gz GWGDWPKLOMJQJK-VHSXEESVSA-N 0 1 271.763 3.645 20 0 CHADMN Cc1ccc(F)c(CN[C@@H](C)c2cccc(O)c2)c1 ZINC000116916530 1120348893 /nfs/dbraw/zinc/34/88/93/1120348893.db2.gz COUUGHBZNXFZLX-LBPRGKRZSA-N 0 1 259.324 3.691 20 0 CHADMN CCCn1cc(CN[C@H](C)c2ccc(Cl)cc2)cn1 ZINC000116912095 1120349337 /nfs/dbraw/zinc/34/93/37/1120349337.db2.gz ZRTYSYCTOSNGTO-GFCCVEGCSA-N 0 1 277.799 3.797 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccnn1C1CCC1)CCC2 ZINC000922078669 1120357276 /nfs/dbraw/zinc/35/72/76/1120357276.db2.gz CDXCIAKTWMNNJY-SFHVURJKSA-N 0 1 299.393 3.914 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cnn(C3CCC3)c1)CCC2 ZINC000922079595 1120358881 /nfs/dbraw/zinc/35/88/81/1120358881.db2.gz PNOADGMPGXSTNJ-GOSISDBHSA-N 0 1 299.393 3.914 20 0 CHADMN CO[C@H](CNC(C)(C)c1nc(C)cs1)C1CCCCC1 ZINC000660078918 1120366695 /nfs/dbraw/zinc/36/66/95/1120366695.db2.gz XGRSYUUUQFDNAB-CQSZACIVSA-N 0 1 296.480 3.872 20 0 CHADMN CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H](CC(C)C)C(=O)[O-] ZINC000629483643 1128912199 /nfs/dbraw/zinc/91/21/99/1128912199.db2.gz IUCHAJLAKQPIAN-AWEZNQCLSA-N 0 1 283.799 3.661 20 0 CHADMN CCCCc1noc([C@@H](C)N(C)C[C@H]2CC=CCC2)n1 ZINC000544116953 1120386810 /nfs/dbraw/zinc/38/68/10/1120386810.db2.gz KWZQLCCVIFLUNJ-KGLIPLIRSA-N 0 1 277.412 3.761 20 0 CHADMN CCOc1ncccc1CN[C@@H]1CCCNc2ccccc21 ZINC000186405512 1120397948 /nfs/dbraw/zinc/39/79/48/1120397948.db2.gz PJZLAODADLEBBJ-QGZVFWFLSA-N 0 1 297.402 3.517 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@H](C)c1ccc(F)cc1 ZINC000078679013 1120399835 /nfs/dbraw/zinc/39/98/35/1120399835.db2.gz WACYMGUGPXGHKC-NXEZZACHSA-N 0 1 262.328 3.842 20 0 CHADMN CC(C)[C@@H]1CCN1Cc1cc(Cl)cc2c1OCC2 ZINC000543072376 1120400362 /nfs/dbraw/zinc/40/03/62/1120400362.db2.gz LKQXPAKCCJSBMZ-AWEZNQCLSA-N 0 1 265.784 3.505 20 0 CHADMN C[C@H](N[C@H]1CCCCC[C@H]1C)c1nc(C(C)(C)C)no1 ZINC000681411577 1120401340 /nfs/dbraw/zinc/40/13/40/1120401340.db2.gz HJFOJHRWIWEWFT-AGIUHOORSA-N 0 1 279.428 3.987 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(-c2ccc(Cl)o2)no1 ZINC000843224026 1120403045 /nfs/dbraw/zinc/40/30/45/1120403045.db2.gz ZJLHGSZBZCQDOO-MRVPVSSYSA-N 0 1 283.759 3.680 20 0 CHADMN Fc1cc(F)c(CN[C@@H]2CCCC23CC3)c(F)c1F ZINC000584666569 1120404240 /nfs/dbraw/zinc/40/42/40/1120404240.db2.gz ZEILPEPDKUOOJP-LLVKDONJSA-N 0 1 273.273 3.665 20 0 CHADMN c1ccc(C[C@H]2C[N@H+]([C@H]3CCc4ccccc43)CCO2)cc1 ZINC000682074580 1120406689 /nfs/dbraw/zinc/40/66/89/1120406689.db2.gz DAEKGEZLOCCDDI-ICSRJNTNSA-N 0 1 293.410 3.617 20 0 CHADMN c1ccc(C[C@H]2CN([C@H]3CCc4ccccc43)CCO2)cc1 ZINC000682074580 1120406693 /nfs/dbraw/zinc/40/66/93/1120406693.db2.gz DAEKGEZLOCCDDI-ICSRJNTNSA-N 0 1 293.410 3.617 20 0 CHADMN COc1ccc(C[N@@H+](C)[C@H](C)c2ccc3c(c2)CCC3)cn1 ZINC000682073770 1120407199 /nfs/dbraw/zinc/40/71/99/1120407199.db2.gz BRMXBKLTDYDKJK-CQSZACIVSA-N 0 1 296.414 3.772 20 0 CHADMN CCc1nc([C@H](C)N2CC=C(c3cccc(C)c3)CC2)n[nH]1 ZINC000660165369 1120408236 /nfs/dbraw/zinc/40/82/36/1120408236.db2.gz CRGGMNFULXXHFB-AWEZNQCLSA-N 0 1 296.418 3.526 20 0 CHADMN CC1(C)c2ccccc2CCN1Cc1cc(C2CC2)no1 ZINC000660173338 1120416328 /nfs/dbraw/zinc/41/63/28/1120416328.db2.gz XJDGLBKVVSFYGN-UHFFFAOYSA-N 0 1 282.387 3.845 20 0 CHADMN CCc1noc([C@H](C)[N@H+]2CCC[C@H](c3ccccc3)CC2)n1 ZINC000066898095 1120416989 /nfs/dbraw/zinc/41/69/89/1120416989.db2.gz WKDYAPYYQJZLIG-HOCLYGCPSA-N 0 1 299.418 3.963 20 0 CHADMN CCc1noc([C@H](C)N2CCC[C@H](c3ccccc3)CC2)n1 ZINC000066898095 1120416990 /nfs/dbraw/zinc/41/69/90/1120416990.db2.gz WKDYAPYYQJZLIG-HOCLYGCPSA-N 0 1 299.418 3.963 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])sc1C ZINC000213476733 1120422520 /nfs/dbraw/zinc/42/25/20/1120422520.db2.gz LYQPYCAYFYRLFV-ZDUSSCGKSA-N 0 1 281.421 3.909 20 0 CHADMN COc1cc(CN[C@@H](CC(C)(C)C)c2ccccc2)on1 ZINC000660184872 1120422768 /nfs/dbraw/zinc/42/27/68/1120422768.db2.gz OEJABSYNGAWDQG-HNNXBMFYSA-N 0 1 288.391 3.950 20 0 CHADMN CC(C)(O)C=CNc1ncc(-c2ccccc2)s1 ZINC001203209579 1120426563 /nfs/dbraw/zinc/42/65/63/1120426563.db2.gz KNZWNIUHJRQLPQ-CMDGGOBGSA-N 0 1 260.362 3.507 20 0 CHADMN FC(F)[C@H](CCc1ccccc1)NC[C@@H]1CC12CC2 ZINC000417340722 1120427644 /nfs/dbraw/zinc/42/76/44/1120427644.db2.gz PTGQREWLIVCXTO-KBPBESRZSA-N 0 1 265.347 3.643 20 0 CHADMN COC[C@H](NCc1cccc(SC)c1)c1ccccc1 ZINC000660194854 1120428551 /nfs/dbraw/zinc/42/85/51/1120428551.db2.gz XJEVATCVNJTOCN-KRWDZBQOSA-N 0 1 287.428 3.886 20 0 CHADMN Cc1cccc(C(C)(C)NCc2cnc3ccccc3n2)c1 ZINC000660197931 1120430629 /nfs/dbraw/zinc/43/06/29/1120430629.db2.gz VEYHFTWZJLIDPR-UHFFFAOYSA-N 0 1 291.398 3.963 20 0 CHADMN Cc1ccnc(CN2CCS[C@H](c3ccccc3)C2)c1 ZINC000683010068 1120433159 /nfs/dbraw/zinc/43/31/59/1120433159.db2.gz VUTSCEXCNQVRHL-KRWDZBQOSA-N 0 1 284.428 3.680 20 0 CHADMN Cc1ccnc(CN(C)[C@@H](C)c2ccc(F)cc2)c1 ZINC000683000660 1120433390 /nfs/dbraw/zinc/43/33/90/1120433390.db2.gz DFMHVISZFCFEKE-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN Fc1ccc(CNCCOC2CCCCC2)c(F)c1F ZINC000657333931 1120436370 /nfs/dbraw/zinc/43/63/70/1120436370.db2.gz FFUOZOVOOGXQJS-UHFFFAOYSA-N 0 1 287.325 3.543 20 0 CHADMN COc1cc(CCNc2cccc(C)n2)ccc1Cl ZINC000338814571 1120438029 /nfs/dbraw/zinc/43/80/29/1120438029.db2.gz PWWACZXDIKTUFT-UHFFFAOYSA-N 0 1 276.767 3.707 20 0 CHADMN C[C@@H](NCCO[C@H]1CC1(F)F)c1c(F)cccc1Cl ZINC000660200296 1120438803 /nfs/dbraw/zinc/43/88/03/1120438803.db2.gz IFNPFPBDDMVQOT-KCJUWKMLSA-N 0 1 293.716 3.554 20 0 CHADMN c1ccc2c(c1)COC[C@@H]2N[C@@H](c1cccnc1)C1CCC1 ZINC000417371143 1120439572 /nfs/dbraw/zinc/43/95/72/1120439572.db2.gz VDNKMHUMCOSWLQ-RBUKOAKNSA-N 0 1 294.398 3.784 20 0 CHADMN Cc1ccc(OC[C@H](C)N[C@H](C)c2cscn2)cc1 ZINC000162397226 1120439735 /nfs/dbraw/zinc/43/97/35/1120439735.db2.gz LEMLCKTUDYJIOA-QWHCGFSZSA-N 0 1 276.405 3.570 20 0 CHADMN CC(C)(C)c1ccncc1CNCc1cnn(C2CCC2)c1 ZINC000922181822 1120449838 /nfs/dbraw/zinc/44/98/38/1120449838.db2.gz AECTVFMKHAAUOT-UHFFFAOYSA-N 0 1 298.434 3.590 20 0 CHADMN C[C@@H](NCC1CCC(C(F)(F)F)CC1)C(F)F ZINC000641793899 1120452093 /nfs/dbraw/zinc/45/20/93/1120452093.db2.gz NWGOFOXEEUOIAU-AFPNSQJFSA-N 0 1 259.262 3.598 20 0 CHADMN CC1(c2cc(=O)n(-c3ccc(Cl)c(Cl)c3)[nH]2)CC1 ZINC000634585754 1128917424 /nfs/dbraw/zinc/91/74/24/1128917424.db2.gz QPVQIFZMMPDRHB-UHFFFAOYSA-N 0 1 283.158 3.886 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(Cc2ccc(C)s2)no1 ZINC000843232095 1120464884 /nfs/dbraw/zinc/46/48/84/1120464884.db2.gz LMFUOIFQYXAKJN-LBPRGKRZSA-N 0 1 293.436 3.727 20 0 CHADMN CCCOc1cc(C)ccc1CN[C@H](C)c1cncnc1C ZINC000584850620 1120466351 /nfs/dbraw/zinc/46/63/51/1120466351.db2.gz PPJHARDSMHRFSC-CQSZACIVSA-N 0 1 299.418 3.733 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3cc(C)cc(C)c3)C2)co1 ZINC000660249572 1120466925 /nfs/dbraw/zinc/46/69/25/1120466925.db2.gz RVGCFGZORHCLAI-OAHLLOKOSA-N 0 1 270.376 3.589 20 0 CHADMN CCN(C(=O)c1ccc(O)c(Cl)c1)c1ccccc1 ZINC000019839395 1120471659 /nfs/dbraw/zinc/47/16/59/1120471659.db2.gz YNACMVMVNUUQGY-UHFFFAOYSA-N 0 1 275.735 3.712 20 0 CHADMN CC(C)(C)c1coc(CNCC[C@@]2(C)C[C@@]2(F)Cl)n1 ZINC000922216785 1120473276 /nfs/dbraw/zinc/47/32/76/1120473276.db2.gz WWHBSAHCHZBMQB-KBPBESRZSA-N 0 1 288.794 3.766 20 0 CHADMN CC[C@H](NCc1cnn(C2CCC2)c1)c1ccccc1F ZINC000922217930 1120474482 /nfs/dbraw/zinc/47/44/82/1120474482.db2.gz VCLZDMDOEYHXJD-KRWDZBQOSA-N 0 1 287.382 3.988 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1Cc1csc(C(C)C)n1 ZINC000080660885 1120474764 /nfs/dbraw/zinc/47/47/64/1120474764.db2.gz OBKHTDDCJRLELY-DGCLKSJQSA-N 0 1 252.427 3.887 20 0 CHADMN C[C@H](NCC1CC=CC1)c1nc(C2CCCCC2)no1 ZINC000660274899 1120477897 /nfs/dbraw/zinc/47/78/97/1120477897.db2.gz WTGVOMLYUOTMHJ-LBPRGKRZSA-N 0 1 275.396 3.734 20 0 CHADMN Cc1cc(CN(Cc2ccc(F)cc2)C(C)(C)C)n(C)n1 ZINC000417751555 1120478725 /nfs/dbraw/zinc/47/87/25/1120478725.db2.gz PJPLEFHPCAPNJI-UHFFFAOYSA-N 0 1 289.398 3.668 20 0 CHADMN CCn1cncc1CN1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000417776702 1120479609 /nfs/dbraw/zinc/47/96/09/1120479609.db2.gz BFMIPDSFUDRWLR-XJKSGUPXSA-N 0 1 287.407 3.778 20 0 CHADMN Cc1cc(CN(Cc2ccc(C)s2)C(C)C)n(C)n1 ZINC000417764189 1120479614 /nfs/dbraw/zinc/47/96/14/1120479614.db2.gz WPDWKTKKEDAORV-UHFFFAOYSA-N 0 1 277.437 3.509 20 0 CHADMN CC[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(C2CC2)no1 ZINC000660289245 1120485210 /nfs/dbraw/zinc/48/52/10/1120485210.db2.gz GFCGSJIPARHDFD-INIZCTEOSA-N 0 1 282.387 3.889 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1Cc1cc(C2CC2)no1 ZINC000660289245 1120485211 /nfs/dbraw/zinc/48/52/11/1120485211.db2.gz GFCGSJIPARHDFD-INIZCTEOSA-N 0 1 282.387 3.889 20 0 CHADMN Cc1cc(NC(=O)c2cc(-c3ccccc3)n[nH]2)cs1 ZINC001168717114 1120486523 /nfs/dbraw/zinc/48/65/23/1120486523.db2.gz UNAUIWRQDYOTPS-UHFFFAOYSA-N 0 1 283.356 3.699 20 0 CHADMN CCc1ccccc1CN1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001141224046 1120489679 /nfs/dbraw/zinc/48/96/79/1120489679.db2.gz AFOSOMQTWNBHLK-SJORKVTESA-N 0 1 271.404 3.583 20 0 CHADMN CCC[C@@H](NCc1cncn1CC)c1ccc(F)cc1F ZINC000417946461 1120494861 /nfs/dbraw/zinc/49/48/61/1120494861.db2.gz RLYMCYKGZVUKHK-MRXNPFEDSA-N 0 1 293.361 3.812 20 0 CHADMN FC1(F)CC2(CN([C@@H]3Cc4cccc(Cl)c4C3)C2)C1 ZINC001168718412 1120494940 /nfs/dbraw/zinc/49/49/40/1120494940.db2.gz OTOYVDDODHPMBJ-LLVKDONJSA-N 0 1 283.749 3.538 20 0 CHADMN c1nn(C2CCC2)cc1CN[C@H](c1ccccn1)C1CCC1 ZINC000922286014 1120499219 /nfs/dbraw/zinc/49/92/19/1120499219.db2.gz SDACAHRQEHGBHR-SFHVURJKSA-N 0 1 296.418 3.634 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2cc(C)c3ccccc3n2)no1 ZINC000319193880 1120501865 /nfs/dbraw/zinc/50/18/65/1120501865.db2.gz JJCHUWTYKYRBAB-LBPRGKRZSA-N 0 1 296.374 3.654 20 0 CHADMN CC(C)[C@@H](NCc1cnc2ccccn12)c1ccccc1F ZINC000657616566 1120501814 /nfs/dbraw/zinc/50/18/14/1120501814.db2.gz YXHNAEJZDKUNNJ-GOSISDBHSA-N 0 1 297.377 3.960 20 0 CHADMN Cc1cc(CN2CC(c3cccnc3)C2)ccc1Cl ZINC001141236244 1120506454 /nfs/dbraw/zinc/50/64/54/1120506454.db2.gz PFXLNZCNFJAYRG-UHFFFAOYSA-N 0 1 272.779 3.643 20 0 CHADMN C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1ccccc1F ZINC000657694848 1120509425 /nfs/dbraw/zinc/50/94/25/1120509425.db2.gz WPTUVDVJITUPKZ-DIFFPNOSSA-N 0 1 271.335 3.869 20 0 CHADMN CC(C)(C)c1coc(CNCC(C)(C)CC(F)F)n1 ZINC000922329174 1120514473 /nfs/dbraw/zinc/51/44/73/1120514473.db2.gz DCASGPCRURRPHO-UHFFFAOYSA-N 0 1 274.355 3.743 20 0 CHADMN C[C@H](N[C@H](CO)c1ccccc1)c1csc(Cl)c1 ZINC000191291986 1120517917 /nfs/dbraw/zinc/51/79/17/1120517917.db2.gz CZTSEUUAUPINRG-GXFFZTMASA-N 0 1 281.808 3.786 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H](C)Cc2ccc(C(C)C)cc2)c1C ZINC000500151177 1120521455 /nfs/dbraw/zinc/52/14/55/1120521455.db2.gz TXVPOGXVQZGKIC-LBPRGKRZSA-N 0 1 299.418 3.511 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H](C)c1ccc2c(c1)CCC2 ZINC000783227147 1120523868 /nfs/dbraw/zinc/52/38/68/1120523868.db2.gz TXZIXVWYWSGNEO-OCCSQVGLSA-N 0 1 281.403 3.686 20 0 CHADMN C[C@H](c1ccccc1)[C@H](C)NCc1ncc(C2CC2)o1 ZINC000543468933 1120528650 /nfs/dbraw/zinc/52/86/50/1120528650.db2.gz FMJAIPHAHGTMBV-STQMWFEESA-N 0 1 270.376 3.834 20 0 CHADMN Cc1ccc(F)cc1NC(=O)c1ccc(Cl)cc1O ZINC000019839825 1120529390 /nfs/dbraw/zinc/52/93/90/1120529390.db2.gz QHQHDWAMZVJPFE-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN CSc1ccc(CN[C@H](c2ccccc2)[C@@H](C)O)s1 ZINC000657819335 1120530081 /nfs/dbraw/zinc/53/00/81/1120530081.db2.gz RFCXYCOISDSTSA-ABAIWWIYSA-N 0 1 293.457 3.682 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000543476106 1120530972 /nfs/dbraw/zinc/53/09/72/1120530972.db2.gz ZQZZJWNCMZNLSK-PVXIVEMSSA-N 0 1 297.389 3.755 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1nc2ccc(F)cc2s1 ZINC000428855392 1120539958 /nfs/dbraw/zinc/53/99/58/1120539958.db2.gz IFASSIRIBIUVQR-SSDOTTSWSA-N 0 1 292.301 3.866 20 0 CHADMN CC[C@H](CSc1ccc(C)c(C)c1)NCc1cocn1 ZINC000428861172 1120541072 /nfs/dbraw/zinc/54/10/72/1120541072.db2.gz JHQTXQZYIREVSC-CQSZACIVSA-N 0 1 290.432 3.952 20 0 CHADMN Cc1nc2c(n1C/C=C/c1ccccc1)CCCC2 ZINC000130522679 1120543964 /nfs/dbraw/zinc/54/39/64/1120543964.db2.gz GJATWUHWMPBGRL-JXMROGBWSA-N 0 1 252.361 3.784 20 0 CHADMN C[C@@H](NCc1ccc(-c2ccccc2)cc1)c1ccnn1C ZINC000447543944 1120546999 /nfs/dbraw/zinc/54/69/99/1120546999.db2.gz SHSYVMYTDCYXGU-OAHLLOKOSA-N 0 1 291.398 3.938 20 0 CHADMN Cc1occc1CN[C@@H](C)c1cc2cnccc2o1 ZINC000657857208 1120547160 /nfs/dbraw/zinc/54/71/60/1120547160.db2.gz SBOZKVKLBGSXOQ-JTQLQIEISA-N 0 1 256.305 3.580 20 0 CHADMN CC[C@@H](NCc1cccnc1C)c1cc(F)ccc1F ZINC000123921682 1120548384 /nfs/dbraw/zinc/54/83/84/1120548384.db2.gz ASNPMVUZIXQKHU-MRXNPFEDSA-N 0 1 276.330 3.909 20 0 CHADMN C[C@@H]1CC(C)(C)c2cccc(NCc3cnc[nH]3)c21 ZINC000922582885 1120556003 /nfs/dbraw/zinc/55/60/03/1120556003.db2.gz OJPHXVGPYSQXDG-LLVKDONJSA-N 0 1 255.365 3.807 20 0 CHADMN Clc1ccc2nc([C@@H]3CCC[N@@H+]3CC3CC3)[nH]c2c1 ZINC000347724849 1120559455 /nfs/dbraw/zinc/55/94/55/1120559455.db2.gz VXSCGDGKFOQRKM-AWEZNQCLSA-N 0 1 275.783 3.763 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H]1C[C@H](C)c2ccccc21 ZINC000783245240 1120559567 /nfs/dbraw/zinc/55/95/67/1120559567.db2.gz ROKFZGOJCPWRAT-DETPVDSQSA-N 0 1 267.376 3.684 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H]1C[C@@H](C)c2ccccc21 ZINC000783245242 1120559943 /nfs/dbraw/zinc/55/99/43/1120559943.db2.gz ROKFZGOJCPWRAT-FFSVYQOJSA-N 0 1 267.376 3.684 20 0 CHADMN CCC(=O)CCCN(C)Cc1cc(Cl)ccc1OC ZINC000347725816 1120563245 /nfs/dbraw/zinc/56/32/45/1120563245.db2.gz XWRUTRGEZPOPGO-UHFFFAOYSA-N 0 1 283.799 3.540 20 0 CHADMN Brc1ccc2c(c1)[C@@H](NCc1ccoc1)CC2 ZINC000193163678 1120565327 /nfs/dbraw/zinc/56/53/27/1120565327.db2.gz TYCOMQXVFOCGGC-AWEZNQCLSA-N 0 1 292.176 3.819 20 0 CHADMN CC(C)Cc1ccc([C@H](NCc2cn(C)cn2)C2CC2)cc1 ZINC000673601049 1120567582 /nfs/dbraw/zinc/56/75/82/1120567582.db2.gz RTEUUTIYNGPANO-IBGZPJMESA-N 0 1 297.446 3.860 20 0 CHADMN Cn1cnc(CN[C@H](CC(C)(C)C)c2ccc(F)cc2)c1 ZINC000673600227 1120569033 /nfs/dbraw/zinc/56/90/33/1120569033.db2.gz XPLXJZDQIQGROO-MRXNPFEDSA-N 0 1 289.398 3.826 20 0 CHADMN CCCC(C)(C)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000931226364 1120570913 /nfs/dbraw/zinc/57/09/13/1120570913.db2.gz ZSMYKAPBOBSZID-UHFFFAOYSA-N 0 1 292.423 3.574 20 0 CHADMN CC(C)C[C@@H](NCc1cn(C)cn1)c1ccc(Cl)cc1 ZINC000673602732 1120571691 /nfs/dbraw/zinc/57/16/91/1120571691.db2.gz RTGULBHEAFLFIR-MRXNPFEDSA-N 0 1 291.826 3.951 20 0 CHADMN CC(C)(/C=C\Cl)[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000922649812 1120572339 /nfs/dbraw/zinc/57/23/39/1120572339.db2.gz YNIWYVJCUQKZOB-HJWRWDBZSA-N 0 1 275.783 3.697 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccnc(Cl)c1 ZINC000781926792 1120574291 /nfs/dbraw/zinc/57/42/91/1120574291.db2.gz YYQWNQHGHCKABC-ZJUUUORDSA-N 0 1 279.746 3.681 20 0 CHADMN C[C@@H](CCc1ccc2c(c1)OCO2)N[C@H]1CCCC1(F)F ZINC000398144431 1120574362 /nfs/dbraw/zinc/57/43/62/1120574362.db2.gz XBPBHKMSAZGYNU-NHYWBVRUSA-N 0 1 297.345 3.514 20 0 CHADMN CCCN1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428933978 1120574628 /nfs/dbraw/zinc/57/46/28/1120574628.db2.gz VPJRLWOZFSSPRM-BXUZGUMPSA-N 0 1 287.325 3.877 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1cn(C)nc1C(F)F ZINC000922667684 1120574882 /nfs/dbraw/zinc/57/48/82/1120574882.db2.gz RSROYHZVODJTSP-SNVBAGLBSA-N 0 1 297.324 3.656 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccc(F)cc2C)nc1 ZINC000922668129 1120575023 /nfs/dbraw/zinc/57/50/23/1120575023.db2.gz ZVDWYLZFPUDFNH-CYBMUJFWSA-N 0 1 288.366 3.779 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(F)cc2C)nc1 ZINC000922667713 1120575763 /nfs/dbraw/zinc/57/57/63/1120575763.db2.gz RUVFGWJBXWHOPU-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1nc(C)c(CN[C@@H](C)c2ccc(F)cc2C)o1 ZINC000922668612 1120575910 /nfs/dbraw/zinc/57/59/10/1120575910.db2.gz GVBRWJYJMXGDQW-JTQLQIEISA-N 0 1 262.328 3.590 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CCC=C(c2ccncc2)C1 ZINC000428940388 1120577181 /nfs/dbraw/zinc/57/71/81/1120577181.db2.gz PSWMDXFAERJALX-UHFFFAOYSA-N 0 1 297.402 3.791 20 0 CHADMN CCc1cc(CN[C@H](C)c2ccccc2C(F)(F)F)[nH]n1 ZINC000765995377 1120578502 /nfs/dbraw/zinc/57/85/02/1120578502.db2.gz VOYMXPQROKFCQD-SNVBAGLBSA-N 0 1 297.324 3.842 20 0 CHADMN CCc1cc(CN[C@H]2C[C@H](C)Sc3sccc32)n[nH]1 ZINC000765996331 1120581984 /nfs/dbraw/zinc/58/19/84/1120581984.db2.gz YZNJWLMCWVBTBI-ZANVPECISA-N 0 1 293.461 3.749 20 0 CHADMN CCc1cc(CN[C@H]2C[C@H](C)Sc3sccc32)[nH]n1 ZINC000765996331 1120581989 /nfs/dbraw/zinc/58/19/89/1120581989.db2.gz YZNJWLMCWVBTBI-ZANVPECISA-N 0 1 293.461 3.749 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1ccc(F)c(F)c1 ZINC000020096609 1120584081 /nfs/dbraw/zinc/58/40/81/1120584081.db2.gz LUTOVEQKTPFWIQ-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN CCc1ccc2ccccc2c1CNCc1ccc(CO)o1 ZINC000922721329 1120588962 /nfs/dbraw/zinc/58/89/62/1120588962.db2.gz WINBNGPNUGLRIF-UHFFFAOYSA-N 0 1 295.382 3.777 20 0 CHADMN c1c(CN[C@@H](c2ccccc2)C2CCCC2)nn2c1CCC2 ZINC000649559557 1128926608 /nfs/dbraw/zinc/92/66/08/1128926608.db2.gz HDHXTEIVLFWTRB-IBGZPJMESA-N 0 1 295.430 3.850 20 0 CHADMN CC(C)c1nc(CN2C[C@@H](C)CC[C@@H]2c2ccccc2)n[nH]1 ZINC000428977186 1120594399 /nfs/dbraw/zinc/59/43/99/1120594399.db2.gz MSQDPWNRKNLDOJ-GOEBONIOSA-N 0 1 298.434 3.901 20 0 CHADMN CC(C)CCc1ccc(NC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001626085159 1120597871 /nfs/dbraw/zinc/59/78/71/1120597871.db2.gz ARRDJWKNHXUKSM-OAHLLOKOSA-N 0 1 288.435 3.556 20 0 CHADMN COC[C@@H](N[C@H](C)c1cncc(C)c1)c1ccc(F)cc1 ZINC000343868080 1120608070 /nfs/dbraw/zinc/60/80/70/1120608070.db2.gz VTSOEFZVSVTUKT-CXAGYDPISA-N 0 1 288.366 3.567 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](c2ccccc2)C2CCC2)nn1C ZINC000282398606 1120614064 /nfs/dbraw/zinc/61/40/64/1120614064.db2.gz XTBXZGNWSKRKOO-RDTXWAMCSA-N 0 1 283.419 3.921 20 0 CHADMN Cc1cc(F)c(-c2ccc([C@@H]3COCCN3)cc2)c(F)c1 ZINC000629739880 1128932615 /nfs/dbraw/zinc/93/26/15/1128932615.db2.gz MZKXDVVULTVXCK-INIZCTEOSA-N 0 1 289.325 3.601 20 0 CHADMN CCc1cc(CN[C@@H](C)c2ccc(OC(C)C)cc2)[nH]n1 ZINC000766003102 1120616377 /nfs/dbraw/zinc/61/63/77/1120616377.db2.gz OTRISVISYOKEBP-ZDUSSCGKSA-N 0 1 287.407 3.610 20 0 CHADMN c1ccc2c(c1)ccnc2CN[C@H]1CCCc2cccnc21 ZINC000922882216 1120618422 /nfs/dbraw/zinc/61/84/22/1120618422.db2.gz VORBQZIPRWODDY-KRWDZBQOSA-N 0 1 289.382 3.797 20 0 CHADMN Cc1cc(F)ccc1CN[C@@H]1CCCc2cccnc21 ZINC000922882235 1120618624 /nfs/dbraw/zinc/61/86/24/1120618624.db2.gz LWUSEZITELEAJA-MRXNPFEDSA-N 0 1 270.351 3.696 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000509057210 1120620028 /nfs/dbraw/zinc/62/00/28/1120620028.db2.gz MUZCDRXDMBFQKY-LBPRGKRZSA-N 0 1 267.800 3.971 20 0 CHADMN C[C@H](CN(C)Cc1cccnc1Cl)c1ccccc1 ZINC000066853400 1120626977 /nfs/dbraw/zinc/62/69/77/1120626977.db2.gz HRSGZEYLQCJSBT-CYBMUJFWSA-N 0 1 274.795 3.971 20 0 CHADMN CC[C@H](CC(F)F)C[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000660463939 1120631567 /nfs/dbraw/zinc/63/15/67/1120631567.db2.gz JVVZXNCMOVDULX-OCCSQVGLSA-N 0 1 285.382 3.629 20 0 CHADMN CC(C)CCCN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000429059852 1120633959 /nfs/dbraw/zinc/63/39/59/1120633959.db2.gz KQKIOYMVBSIIIM-MRXNPFEDSA-N 0 1 265.372 3.635 20 0 CHADMN CC(C)(C)[C@@H]1CCCN1Cc1ccncc1Br ZINC000625139142 1120638917 /nfs/dbraw/zinc/63/89/17/1120638917.db2.gz MPPCNBGBUIXOPU-ZDUSSCGKSA-N 0 1 297.240 3.855 20 0 CHADMN CCCO[C@H]1CCCN(Cc2cc(O)ccc2Cl)CC1 ZINC000625154582 1120640001 /nfs/dbraw/zinc/64/00/01/1120640001.db2.gz YEGQTARZHBFZJY-HNNXBMFYSA-N 0 1 297.826 3.827 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1cccnc1C(F)(F)F ZINC000625149888 1120640382 /nfs/dbraw/zinc/64/03/82/1120640382.db2.gz BXIYAJLYMRQUJV-GHMZBOCLSA-N 0 1 272.314 3.863 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N[C@@H](C)CCC(C)C)o1 ZINC000047220951 1120642128 /nfs/dbraw/zinc/64/21/28/1120642128.db2.gz SSGAVQXQSHULFG-AWEZNQCLSA-N 0 1 294.439 3.676 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc(F)c(F)c2)cc1 ZINC000096953981 1120642131 /nfs/dbraw/zinc/64/21/31/1120642131.db2.gz KKOFJJVGAAFYIC-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN CCN(Cc1coc(-c2ccccc2F)n1)C1CCC1 ZINC000625181920 1120643498 /nfs/dbraw/zinc/64/34/98/1120643498.db2.gz WPWBTXSUPOTKMC-UHFFFAOYSA-N 0 1 274.339 3.855 20 0 CHADMN CN(Cc1ccco1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000047264867 1120644793 /nfs/dbraw/zinc/64/47/93/1120644793.db2.gz LFQDHEGYBRHCCL-UHFFFAOYSA-N 0 1 299.292 3.853 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000660536037 1120653398 /nfs/dbraw/zinc/65/33/98/1120653398.db2.gz NJPWYCJWGFNOKW-WCQYABFASA-N 0 1 271.355 3.618 20 0 CHADMN CC(C)c1ccc(CN(C)Cc2cccc(C(N)=O)c2)cc1 ZINC000047461503 1120654346 /nfs/dbraw/zinc/65/43/46/1120654346.db2.gz NFEDBXYCCPFMNC-UHFFFAOYSA-N 0 1 296.414 3.541 20 0 CHADMN CCc1ccc([C@H]2CCCN(Cc3coc(C)n3)C2)cc1 ZINC000660545123 1120654430 /nfs/dbraw/zinc/65/44/30/1120654430.db2.gz CZCVPPIWKHZWIJ-KRWDZBQOSA-N 0 1 284.403 3.925 20 0 CHADMN CCCC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000161961606 1120657021 /nfs/dbraw/zinc/65/70/21/1120657021.db2.gz FRFRUVZRKAQLGL-UHFFFAOYSA-N 0 1 257.337 3.569 20 0 CHADMN CC[C@@H]1CN(C/C(C)=C/c2ccccc2)C[C@@H](C)O1 ZINC000511827378 1120657757 /nfs/dbraw/zinc/65/77/57/1120657757.db2.gz AYJICARTURAENC-SOOMZGJCSA-N 0 1 259.393 3.589 20 0 CHADMN CCc1nc([C@H](C)N2CC(C)(C)[C@H]2c2cccs2)n[nH]1 ZINC000660556567 1120658023 /nfs/dbraw/zinc/65/80/23/1120658023.db2.gz GYLNGRGRRBQDLT-GXFFZTMASA-N 0 1 290.436 3.573 20 0 CHADMN CCCC[C@@H](CC)CCN[C@H](C)c1nc(C)no1 ZINC000483348002 1120662129 /nfs/dbraw/zinc/66/21/29/1120662129.db2.gz DGVJROJMOWODGC-DGCLKSJQSA-N 0 1 253.390 3.635 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1ccncc1Br ZINC000625285482 1120664082 /nfs/dbraw/zinc/66/40/82/1120664082.db2.gz VTKKIPRNQFXZPM-PWSUYJOCSA-N 0 1 283.213 3.607 20 0 CHADMN CCCCc1ccc(NC(=O)[C@H]2CCCCN2CC)cc1 ZINC000591093582 1120665816 /nfs/dbraw/zinc/66/58/16/1120665816.db2.gz DIVPCXWDTOZFHO-QGZVFWFLSA-N 0 1 288.435 3.842 20 0 CHADMN CC[C@H](C)n1cc(-c2ccc(F)c(CN(C)C)c2)cn1 ZINC000629737896 1128931892 /nfs/dbraw/zinc/93/18/92/1128931892.db2.gz BWFKOJIURGYKMJ-LBPRGKRZSA-N 0 1 275.371 3.722 20 0 CHADMN CC(C)[C@@H]1CCCC[C@@H]1NCc1noc(C2CCC2)n1 ZINC000625320628 1120667654 /nfs/dbraw/zinc/66/76/54/1120667654.db2.gz CIMDTEGKVWHRPK-KBPBESRZSA-N 0 1 277.412 3.642 20 0 CHADMN CCOCCNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000092820693 1128932738 /nfs/dbraw/zinc/93/27/38/1128932738.db2.gz OBVFIWTZOYONNV-UHFFFAOYSA-N 0 1 291.341 3.680 20 0 CHADMN Clc1ccc2nc(CN3CCC[C@H]4CCC[C@@H]43)cn2c1 ZINC000511860039 1120670651 /nfs/dbraw/zinc/67/06/51/1120670651.db2.gz OWLDEEAEBINUBQ-DOMZBBRYSA-N 0 1 289.810 3.752 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1cnc2ccccc2n1 ZINC000660640609 1120672454 /nfs/dbraw/zinc/67/24/54/1120672454.db2.gz QMMORPGNDGBITR-UHFFFAOYSA-N 0 1 291.398 3.963 20 0 CHADMN CC(C)[C@H]1CN(Cc2nsc3ccccc32)CCCO1 ZINC000660648583 1120672546 /nfs/dbraw/zinc/67/25/46/1120672546.db2.gz ZXIOUFJYUIKZSA-OAHLLOKOSA-N 0 1 290.432 3.543 20 0 CHADMN C[C@H](CC1CCCCC1)NC(=O)c1cccc(F)c1O ZINC001128543209 1120674673 /nfs/dbraw/zinc/67/46/73/1120674673.db2.gz UAWUJOXLZUAMBQ-LLVKDONJSA-N 0 1 279.355 3.620 20 0 CHADMN CCc1nnc(SCc2cccc(C(F)(F)F)c2)[nH]1 ZINC000198748557 1120675955 /nfs/dbraw/zinc/67/59/55/1120675955.db2.gz BNNVTBKTEBLOEY-UHFFFAOYSA-N 0 1 287.310 3.678 20 0 CHADMN CCc1n[nH]c(SCc2cccc(C(F)(F)F)c2)n1 ZINC000198748557 1120675959 /nfs/dbraw/zinc/67/59/59/1120675959.db2.gz BNNVTBKTEBLOEY-UHFFFAOYSA-N 0 1 287.310 3.678 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cccc(O)c2Cl)CC1 ZINC000383087699 1120679017 /nfs/dbraw/zinc/67/90/17/1120679017.db2.gz VZNNMBVSMJTLLY-LLVKDONJSA-N 0 1 253.773 3.668 20 0 CHADMN C[C@@H]1CCC[N@H+](Cc2cccc([O-])c2Cl)CC1 ZINC000383087699 1120679019 /nfs/dbraw/zinc/67/90/19/1120679019.db2.gz VZNNMBVSMJTLLY-LLVKDONJSA-N 0 1 253.773 3.668 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cccc([O-])c2Cl)CC1 ZINC000383087699 1120679020 /nfs/dbraw/zinc/67/90/20/1120679020.db2.gz VZNNMBVSMJTLLY-LLVKDONJSA-N 0 1 253.773 3.668 20 0 CHADMN CO[C@H]1CCC[C@H](Nc2ccc3cnccc3c2)C1 ZINC000651604422 1120679076 /nfs/dbraw/zinc/67/90/76/1120679076.db2.gz JFSZBGJGROZTFV-HOCLYGCPSA-N 0 1 256.349 3.604 20 0 CHADMN CCC(CC)N(CC)Cc1ccncc1Br ZINC000625432256 1120679475 /nfs/dbraw/zinc/67/94/75/1120679475.db2.gz OEGNCBNKQYGXJB-UHFFFAOYSA-N 0 1 285.229 3.855 20 0 CHADMN C[C@H](c1ccco1)N(C)Cc1cc2cnccc2o1 ZINC000651613558 1120681971 /nfs/dbraw/zinc/68/19/71/1120681971.db2.gz HCKYCXIQWVEYAM-LLVKDONJSA-N 0 1 256.305 3.614 20 0 CHADMN CCCC[C@H](CC)C[NH2+]C(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000660752498 1120684089 /nfs/dbraw/zinc/68/40/89/1120684089.db2.gz VUDLERQFDVICGK-ZDUSSCGKSA-N 0 1 279.428 3.532 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccc(F)cc2C)nc(C)n1 ZINC000660753750 1120684467 /nfs/dbraw/zinc/68/44/67/1120684467.db2.gz KOTDMBAVHQBYIP-SFHVURJKSA-N 0 1 299.393 3.878 20 0 CHADMN C[C@H](NCc1ccccn1)c1ccc(-c2cccnc2)cc1 ZINC000673886358 1120688086 /nfs/dbraw/zinc/68/80/86/1120688086.db2.gz MXOLTRGOTMVTHV-HNNXBMFYSA-N 0 1 289.382 3.994 20 0 CHADMN C[C@@H](NCc1ccccn1)c1ccc(-c2cccnc2)cc1 ZINC000673886359 1120688257 /nfs/dbraw/zinc/68/82/57/1120688257.db2.gz MXOLTRGOTMVTHV-OAHLLOKOSA-N 0 1 289.382 3.994 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)N(C)Cc1cn[nH]c1 ZINC000673927013 1120694883 /nfs/dbraw/zinc/69/48/83/1120694883.db2.gz HAFFMNCLOGPKRG-ZDUSSCGKSA-N 0 1 265.360 3.756 20 0 CHADMN Cc1nc(CN2CCC[C@]2(C)Cc2cccc(F)c2)co1 ZINC000660897657 1120699718 /nfs/dbraw/zinc/69/97/18/1120699718.db2.gz CUTWYZKNXZNIOA-QGZVFWFLSA-N 0 1 288.366 3.719 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cc2cnccc2o1 ZINC000651669467 1120701501 /nfs/dbraw/zinc/70/15/01/1120701501.db2.gz VXEDSVZHIUXJLD-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN CC(C)=CCCN[C@H](Cc1ccccc1)c1ncco1 ZINC000660926079 1120703427 /nfs/dbraw/zinc/70/34/27/1120703427.db2.gz LEMHGUGQAKGMPR-MRXNPFEDSA-N 0 1 270.376 3.904 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000253551558 1128934863 /nfs/dbraw/zinc/93/48/63/1128934863.db2.gz AIXNQORBNGJNOY-RDBSUJKOSA-N 0 1 297.402 3.518 20 0 CHADMN CC[C@H](C)N(CC)Cc1nccn1Cc1ccccc1 ZINC000661106442 1120717181 /nfs/dbraw/zinc/71/71/81/1120717181.db2.gz JTNSUDZRQXYECA-HNNXBMFYSA-N 0 1 271.408 3.552 20 0 CHADMN CC[C@H](C)N(CC)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000661107815 1120717767 /nfs/dbraw/zinc/71/77/67/1120717767.db2.gz NOKQIOFMFCFVSK-LBPRGKRZSA-N 0 1 291.370 3.805 20 0 CHADMN CC(C)c1nnc(CN[C@@H]2CCCC23CCCCC3)o1 ZINC000661127355 1120724240 /nfs/dbraw/zinc/72/42/40/1120724240.db2.gz FJPLRCNBSMCZJW-CYBMUJFWSA-N 0 1 277.412 3.786 20 0 CHADMN Cc1nnc([C@H](C)N[C@H]2CCCC23CCCCC3)o1 ZINC000661129774 1120725652 /nfs/dbraw/zinc/72/56/52/1120725652.db2.gz PZTUXCMOUYCPPL-AAEUAGOBSA-N 0 1 263.385 3.532 20 0 CHADMN CC(C)(C)c1noc(CN[C@@H]2CCCC23CCCCC3)n1 ZINC000661128160 1120725760 /nfs/dbraw/zinc/72/57/60/1120725760.db2.gz IIUHOVRHJOPFTN-CYBMUJFWSA-N 0 1 291.439 3.960 20 0 CHADMN Cc1ccc(NC(=O)CN(CCC(C)C)C2CC2)c(C)c1 ZINC000044898431 1120737512 /nfs/dbraw/zinc/73/75/12/1120737512.db2.gz STAKNFQPBOYCBN-UHFFFAOYSA-N 0 1 288.435 3.752 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1nnc(-c2ccc(C)cc2)o1 ZINC000661233721 1120742664 /nfs/dbraw/zinc/74/26/64/1120742664.db2.gz IACYUUGEBYIWHS-CYBMUJFWSA-N 0 1 287.407 3.959 20 0 CHADMN CC[C@]1(C)CCC[C@@H]1NCc1nccc(C(F)(F)F)n1 ZINC000651830882 1120756151 /nfs/dbraw/zinc/75/61/51/1120756151.db2.gz TUCIOYLQFZDXOT-GXFFZTMASA-N 0 1 287.329 3.554 20 0 CHADMN Cc1ccc2c(c1)C[N@@H+]([C@H](C)c1cccnc1)CC2 ZINC000661374653 1120757716 /nfs/dbraw/zinc/75/77/16/1120757716.db2.gz CTUMFTHIOSGCOJ-CQSZACIVSA-N 0 1 252.361 3.509 20 0 CHADMN Cc1ccc2c(c1)CN([C@H](C)c1cccnc1)CC2 ZINC000661374653 1120757722 /nfs/dbraw/zinc/75/77/22/1120757722.db2.gz CTUMFTHIOSGCOJ-CQSZACIVSA-N 0 1 252.361 3.509 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)c1C ZINC000408175480 1120765425 /nfs/dbraw/zinc/76/54/25/1120765425.db2.gz ZODRDNXXCGFLSB-OAHLLOKOSA-N 0 1 297.402 3.569 20 0 CHADMN Cc1cncc(CCN2CC3(CCCC3)[C@H]2c2ccco2)n1 ZINC000661434607 1120766308 /nfs/dbraw/zinc/76/63/08/1120766308.db2.gz LJNWPXIKMFSWRV-QGZVFWFLSA-N 0 1 297.402 3.538 20 0 CHADMN CCc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)CC(C)C ZINC000045769840 1120768518 /nfs/dbraw/zinc/76/85/18/1120768518.db2.gz YFZKZABKUXEFFX-CQSZACIVSA-N 0 1 276.424 3.554 20 0 CHADMN Cc1ccc2ncc(CN3CC4(CCC4)OC[C@@H]3C)cc2c1 ZINC000661463112 1120769140 /nfs/dbraw/zinc/76/91/40/1120769140.db2.gz NJIFRUZUBZWCME-HNNXBMFYSA-N 0 1 296.414 3.687 20 0 CHADMN C[C@@H]1COC2(CCC2)CN1Cc1ccc(C(F)F)cc1 ZINC000661471051 1120769324 /nfs/dbraw/zinc/76/93/24/1120769324.db2.gz XEDVZEAPMSHPAQ-GFCCVEGCSA-N 0 1 281.346 3.768 20 0 CHADMN CC(C)c1nc(CN[C@H](c2ccccc2F)C(C)C)n[nH]1 ZINC000661482801 1120769897 /nfs/dbraw/zinc/76/98/97/1120769897.db2.gz DMAOMQCDQHBTNV-HNNXBMFYSA-N 0 1 290.386 3.554 20 0 CHADMN CCc1nc([C@H](C)N[C@H](c2ccccc2F)C(C)C)n[nH]1 ZINC000661485023 1120769949 /nfs/dbraw/zinc/76/99/49/1120769949.db2.gz NYMYUNVILMFBDJ-NHYWBVRUSA-N 0 1 290.386 3.554 20 0 CHADMN CC(C)c1noc(CN2CC[C@@H](C3CCCCC3)C2)n1 ZINC000661586514 1120782196 /nfs/dbraw/zinc/78/21/96/1120782196.db2.gz QNFMBQJPHCQIAI-CQSZACIVSA-N 0 1 277.412 3.595 20 0 CHADMN CC[C@H](NCc1cnc(N(C)C)s1)c1ccccc1F ZINC000651932194 1120784055 /nfs/dbraw/zinc/78/40/55/1120784055.db2.gz NOJPHPWWZQYTRP-AWEZNQCLSA-N 0 1 293.411 3.589 20 0 CHADMN C[C@@H]1CN(Cc2cncs2)CCc2ccc(Cl)cc21 ZINC000651938293 1120786602 /nfs/dbraw/zinc/78/66/02/1120786602.db2.gz UOPRBVXXAXWMIL-LLVKDONJSA-N 0 1 292.835 3.958 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CCC[C@](O)(C2CC2)C1 ZINC000661627441 1120787282 /nfs/dbraw/zinc/78/72/82/1120787282.db2.gz RDKWAHWFFGOGLE-BDJLRTHQSA-N 0 1 297.801 3.777 20 0 CHADMN Cc1ccc2[nH]c(CN3CCS[C@@H](C)C3)cc2c1C ZINC000473133802 1120796043 /nfs/dbraw/zinc/79/60/43/1120796043.db2.gz UCAHBKYCPDYNJI-LBPRGKRZSA-N 0 1 274.433 3.722 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000661698646 1120797591 /nfs/dbraw/zinc/79/75/91/1120797591.db2.gz GOUSVGGFOVWJIJ-IXPVHAAZSA-N 0 1 283.774 3.508 20 0 CHADMN CC[C@H]1CCCN(Cc2nc(-c3ccccc3C)no2)C1 ZINC000048058601 1120800486 /nfs/dbraw/zinc/80/04/86/1120800486.db2.gz LLQPLIJBXPDFML-AWEZNQCLSA-N 0 1 285.391 3.667 20 0 CHADMN CCC[C@@H](C)N(C)Cc1nc(-c2ccccc2C)no1 ZINC000048071029 1120800795 /nfs/dbraw/zinc/80/07/95/1120800795.db2.gz PUGZNCFABPLVTF-CYBMUJFWSA-N 0 1 273.380 3.665 20 0 CHADMN CC(C)Cc1noc(CN(C2CC2)C2CCCCC2)n1 ZINC000048009062 1120801134 /nfs/dbraw/zinc/80/11/34/1120801134.db2.gz TZJFYLDIFILRHJ-UHFFFAOYSA-N 0 1 277.412 3.565 20 0 CHADMN CC(C)(C)C[C@@H]1C[C@H]1N[C@@H](c1ccccc1)c1cncnc1 ZINC000652240641 1120803469 /nfs/dbraw/zinc/80/34/69/1120803469.db2.gz JWWWEUSAFLURCR-JQHSSLGASA-N 0 1 295.430 3.980 20 0 CHADMN COc1ccc2c(c1)CCN(CCCCC(F)(F)F)C2 ZINC000661739448 1120804133 /nfs/dbraw/zinc/80/41/33/1120804133.db2.gz DNJGIUOUXHHJBJ-UHFFFAOYSA-N 0 1 287.325 3.786 20 0 CHADMN CCCC[C@@H](CC)CCCN(C)C(=O)c1ccc(CN)o1 ZINC000663001410 1120814422 /nfs/dbraw/zinc/81/44/22/1120814422.db2.gz TUEVQGWEPYDDLV-CQSZACIVSA-N 0 1 294.439 3.807 20 0 CHADMN CCn1nc(CN2CCC[C@@H]3CCC[C@H]32)c2ccccc21 ZINC000473146536 1120815572 /nfs/dbraw/zinc/81/55/72/1120815572.db2.gz AIGPJMBNOYEBMI-WMLDXEAASA-N 0 1 283.419 3.821 20 0 CHADMN Cc1nccc(CN[C@@H](c2ccccc2)C(C)(C)C)n1 ZINC000054790374 1120817680 /nfs/dbraw/zinc/81/76/80/1120817680.db2.gz PWSOHJPKXMMFJR-INIZCTEOSA-N 0 1 269.392 3.662 20 0 CHADMN CS[C@H](CNCc1nnc(C(C)C)s1)C(C)(C)C ZINC000893519937 1120819193 /nfs/dbraw/zinc/81/91/93/1120819193.db2.gz PDPRUAYXMXLFKS-SNVBAGLBSA-N 0 1 287.498 3.529 20 0 CHADMN C[N@@H+](Cc1cn([C@H]2CCC(C)(C)C2)nn1)C1CCCCC1 ZINC000629942114 1128942935 /nfs/dbraw/zinc/94/29/35/1128942935.db2.gz GHIMEBREHDCWJA-INIZCTEOSA-N 0 1 290.455 3.794 20 0 CHADMN CN(Cc1cn([C@H]2CCC(C)(C)C2)nn1)C1CCCCC1 ZINC000629942114 1128942938 /nfs/dbraw/zinc/94/29/38/1128942938.db2.gz GHIMEBREHDCWJA-INIZCTEOSA-N 0 1 290.455 3.794 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661873237 1120830560 /nfs/dbraw/zinc/83/05/60/1120830560.db2.gz DNWRIJUKZQWQGF-DYVFJYSZSA-N 0 1 295.373 3.746 20 0 CHADMN CC(C)(C)C[C@@H](O)CNCc1csc(Cl)c1Cl ZINC000432253439 1120845626 /nfs/dbraw/zinc/84/56/26/1120845626.db2.gz NJSLLWPCPUWAJY-SECBINFHSA-N 0 1 296.263 3.942 20 0 CHADMN CCC(CC)[C@H](O)CNCc1csc(Cl)c1Cl ZINC000432253965 1120846184 /nfs/dbraw/zinc/84/61/84/1120846184.db2.gz QIFCGLRHMUTRJY-SNVBAGLBSA-N 0 1 296.263 3.942 20 0 CHADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000652390707 1120851848 /nfs/dbraw/zinc/85/18/48/1120851848.db2.gz AVZOLGABZXYXLE-FUHWJXTLSA-N 0 1 295.382 3.610 20 0 CHADMN C[C@@H](N[C@H](C)C1CCC(F)CC1)c1nc(C(C)(C)C)no1 ZINC000662000985 1120856379 /nfs/dbraw/zinc/85/63/79/1120856379.db2.gz QSEYUQMGUWZAIK-OKZRHMCRSA-N 0 1 297.418 3.935 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000652405384 1120857059 /nfs/dbraw/zinc/85/70/59/1120857059.db2.gz IYKPCRLKLYXKSS-DLBZAZTESA-N 0 1 289.419 3.503 20 0 CHADMN O=C([O-])C1(C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)CC1 ZINC000652409921 1120857600 /nfs/dbraw/zinc/85/76/00/1120857600.db2.gz BDZVUKBPYBCXMF-INIZCTEOSA-N 0 1 298.386 3.560 20 0 CHADMN C[C@@H](c1cccnc1)N(C)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000893541903 1120857903 /nfs/dbraw/zinc/85/79/03/1120857903.db2.gz ZQPOOOJXVCRGRJ-KGLIPLIRSA-N 0 1 282.387 3.598 20 0 CHADMN CCCCc1nc2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2[nH]1 ZINC000049428890 1120858921 /nfs/dbraw/zinc/85/89/21/1120858921.db2.gz RJCKPSBUYLUMGA-JQWIXIFHSA-N 0 1 271.364 3.500 20 0 CHADMN C[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000652428355 1120860267 /nfs/dbraw/zinc/86/02/67/1120860267.db2.gz FSUUZFWMRSASGM-LJQANCHMSA-N 0 1 295.382 3.548 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCCCCC(=O)[O-])C1 ZINC000652421005 1120860523 /nfs/dbraw/zinc/86/05/23/1120860523.db2.gz VBDSKTXRGMJIBX-CZUORRHYSA-N 0 1 293.382 3.854 20 0 CHADMN CC[C@H]1CCCCC[N@H+]1CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000652420981 1120860598 /nfs/dbraw/zinc/86/05/98/1120860598.db2.gz SSUASHQMMSPSMZ-DLBZAZTESA-N 0 1 289.419 3.900 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2C)CC1 ZINC000652421208 1120860606 /nfs/dbraw/zinc/86/06/06/1120860606.db2.gz GGHWDINRKIYORC-ZBFHGGJFSA-N 0 1 275.392 3.633 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CCC[C@H](C2CCC2)C1 ZINC000662042077 1120863473 /nfs/dbraw/zinc/86/34/73/1120863473.db2.gz AXRNTTFGJSVBFW-FZMZJTMJSA-N 0 1 275.396 3.520 20 0 CHADMN COc1ccc2nc(-c3cc(Cl)ccc3O)[nH]c2c1 ZINC000086576338 1120865261 /nfs/dbraw/zinc/86/52/61/1120865261.db2.gz OJXGLKLFKDBBJB-UHFFFAOYSA-N 0 1 274.707 3.598 20 0 CHADMN O=C([O-])CC[N@@H+](CCc1ccc2ccccc2c1)CC1CC1 ZINC000652467647 1120868874 /nfs/dbraw/zinc/86/88/74/1120868874.db2.gz GQKFXXOMXHACOG-UHFFFAOYSA-N 0 1 297.398 3.569 20 0 CHADMN CO[C@@H](C)c1nc(CNC2(CC(C)C)CC2)cs1 ZINC000662071033 1120869024 /nfs/dbraw/zinc/86/90/24/1120869024.db2.gz XXXNVIKZZFJDME-NSHDSACASA-N 0 1 268.426 3.519 20 0 CHADMN CC(C)(C)C[C@H](NCc1cnccn1)c1ccccc1 ZINC000054766319 1120870068 /nfs/dbraw/zinc/87/00/68/1120870068.db2.gz WJUVSDFDIMLWKS-INIZCTEOSA-N 0 1 269.392 3.744 20 0 CHADMN CC(C)[C@@H](NCc1cnccn1)c1ccc(Cl)cc1 ZINC000054765981 1120870180 /nfs/dbraw/zinc/87/01/80/1120870180.db2.gz ABERSEJFLCSBIV-OAHLLOKOSA-N 0 1 275.783 3.617 20 0 CHADMN O=C([O-])C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C1CCCCC1 ZINC000652482036 1120870687 /nfs/dbraw/zinc/87/06/87/1120870687.db2.gz KDVNKZWVYBDQAV-RDJZCZTQSA-N 0 1 287.403 3.509 20 0 CHADMN CC[C@H](C)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000247290519 1120875750 /nfs/dbraw/zinc/87/57/50/1120875750.db2.gz UJDXSVUMVKAUFC-SMDDNHRTSA-N 0 1 298.224 3.621 20 0 CHADMN CC[C@@H](c1ccccc1)N(Cc1nccn1C)C(C)C ZINC000662105255 1120877037 /nfs/dbraw/zinc/87/70/37/1120877037.db2.gz NRIOTDHTEBOJCQ-INIZCTEOSA-N 0 1 271.408 3.782 20 0 CHADMN CCc1nnc(CN2CCCC[C@@H]2CC2CCC2)s1 ZINC000662154457 1120886181 /nfs/dbraw/zinc/88/61/81/1120886181.db2.gz AKJGAHBKOPYKAC-CYBMUJFWSA-N 0 1 279.453 3.645 20 0 CHADMN CC[C@@H]1CCC[C@H](C)N1Cc1nc(C2CCCC2)no1 ZINC000662160292 1120887510 /nfs/dbraw/zinc/88/75/10/1120887510.db2.gz IIYHPDHNTWJOQD-GXTWGEPZSA-N 0 1 277.412 3.880 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccc(F)cc1F)c1ccccc1 ZINC000662163600 1120889446 /nfs/dbraw/zinc/88/94/46/1120889446.db2.gz XPYJHCNZHBZWJU-IAGOWNOFSA-N 0 1 291.341 3.739 20 0 CHADMN CC[C@H](N[C@H](CO)c1ccc(F)cc1F)c1ccccc1 ZINC000662163599 1120889712 /nfs/dbraw/zinc/88/97/12/1120889712.db2.gz XPYJHCNZHBZWJU-DLBZAZTESA-N 0 1 291.341 3.739 20 0 CHADMN CC(C)c1noc([C@H](C)N(CCC2CC2)CC2CC2)n1 ZINC000662179646 1120891326 /nfs/dbraw/zinc/89/13/26/1120891326.db2.gz RSOQYFDDFKRSLE-LBPRGKRZSA-N 0 1 277.412 3.766 20 0 CHADMN CO[C@H](C)c1nc(CN(CCC2CC2)CC2CC2)cs1 ZINC000662178804 1120891841 /nfs/dbraw/zinc/89/18/41/1120891841.db2.gz HJODNXATLZWXCM-GFCCVEGCSA-N 0 1 294.464 3.863 20 0 CHADMN CC(C)c1noc([C@H](C)N(C)C[C@@H]2CCc3ccccc32)n1 ZINC000662199364 1120896075 /nfs/dbraw/zinc/89/60/75/1120896075.db2.gz ONCFHPXEOBJYKH-ZFWWWQNUSA-N 0 1 299.418 3.916 20 0 CHADMN CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000388627183 1120899405 /nfs/dbraw/zinc/89/94/05/1120899405.db2.gz HNJDRHOZBLBHLX-ZYHUDNBSSA-N 0 1 253.773 3.714 20 0 CHADMN Cc1ccc2cc(CNc3nccn3CC(C)C)[nH]c2c1 ZINC000663257552 1120903417 /nfs/dbraw/zinc/90/34/17/1120903417.db2.gz MMVPFOPRLFLHCV-UHFFFAOYSA-N 0 1 282.391 3.941 20 0 CHADMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cccc2ccccc21 ZINC000662223155 1120905652 /nfs/dbraw/zinc/90/56/52/1120905652.db2.gz MKAQLFDFWWLYFK-UHFFFAOYSA-N 0 1 285.387 3.773 20 0 CHADMN CC(C)O[C@H](C[N@@H+](C)CC1=CCSC1)c1ccccc1 ZINC000662267046 1120913320 /nfs/dbraw/zinc/91/33/20/1120913320.db2.gz QABFMCRFGLZUPA-QGZVFWFLSA-N 0 1 291.460 3.758 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2Cc2ccc(F)cc2)oc1C ZINC000140098865 1120924798 /nfs/dbraw/zinc/92/47/98/1120924798.db2.gz XKOGIFSBHUMKIL-MRXNPFEDSA-N 0 1 288.366 3.638 20 0 CHADMN CC(C)(C)n1cc(CN2CC3CC2(c2ccccc2)C3)cn1 ZINC000662333049 1120926981 /nfs/dbraw/zinc/92/69/81/1120926981.db2.gz SSSIQQJUMJRIND-UHFFFAOYSA-N 0 1 295.430 3.759 20 0 CHADMN COc1ncccc1CN[C@@]1(c2ccccc2)CC1(C)C ZINC000662339642 1120928268 /nfs/dbraw/zinc/92/82/68/1120928268.db2.gz BELFAESEJVGDMT-GOSISDBHSA-N 0 1 282.387 3.505 20 0 CHADMN CC1(C)C[C@]1(NCc1cncc(F)c1)c1ccccc1 ZINC000662340432 1120928282 /nfs/dbraw/zinc/92/82/82/1120928282.db2.gz JRRJMNGHNIRBRH-KRWDZBQOSA-N 0 1 270.351 3.636 20 0 CHADMN Cc1ccnc(CN[C@]2(c3ccccc3)CC2(C)C)c1 ZINC000662341500 1120928641 /nfs/dbraw/zinc/92/86/41/1120928641.db2.gz UAOATZYWQAWIGD-SFHVURJKSA-N 0 1 266.388 3.805 20 0 CHADMN Cc1ccc(CN[C@@]2(c3ccccc3)CC2(C)C)cn1 ZINC000662341228 1120928679 /nfs/dbraw/zinc/92/86/79/1120928679.db2.gz RFQHFNPLYDFDOQ-GOSISDBHSA-N 0 1 266.388 3.805 20 0 CHADMN Cc1cc(C)c(NC(=O)CN(C)C[C@H]2CC2(C)C)c(C)c1 ZINC000662345617 1120929109 /nfs/dbraw/zinc/92/91/09/1120929109.db2.gz KEQXCRWVKRGGDA-OAHLLOKOSA-N 0 1 288.435 3.528 20 0 CHADMN CN(Cc1ncc(-c2cccs2)o1)C[C@@H]1CC1(C)C ZINC000662346055 1120929158 /nfs/dbraw/zinc/92/91/58/1120929158.db2.gz NZTVSGOBFSMURB-NSHDSACASA-N 0 1 276.405 3.881 20 0 CHADMN Cc1ccncc1CN[C@@]1(c2ccccc2)CC1(C)C ZINC000662343406 1120929664 /nfs/dbraw/zinc/92/96/64/1120929664.db2.gz PTVLXHDOYVLKJO-GOSISDBHSA-N 0 1 266.388 3.805 20 0 CHADMN CC12CC(C1)CN2Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000662380583 1120932034 /nfs/dbraw/zinc/93/20/34/1120932034.db2.gz HULUJFDAYMJMQV-UHFFFAOYSA-N 0 1 288.778 3.979 20 0 CHADMN c1sc(C2CC2)nc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000162034473 1120934506 /nfs/dbraw/zinc/93/45/06/1120934506.db2.gz AAEYZMYXAQDFFR-FZMZJTMJSA-N 0 1 262.422 3.785 20 0 CHADMN CCC=C(C)C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000213810835 1120933748 /nfs/dbraw/zinc/93/37/48/1120933748.db2.gz CLGMOPCYQWEIGZ-INDWDQIESA-N 0 1 285.391 3.733 20 0 CHADMN Clc1ccc(CN[C@@H]2COCc3ccccc32)cc1 ZINC000225981828 1120936458 /nfs/dbraw/zinc/93/64/58/1120936458.db2.gz RRAGPONTZCONHK-MRXNPFEDSA-N 0 1 273.763 3.701 20 0 CHADMN CCCC[C@@H](COC)N[C@H](C)c1csc(CC)n1 ZINC000162368724 1120940565 /nfs/dbraw/zinc/94/05/65/1120940565.db2.gz TUQFZFGHPVHZLZ-NEPJUHHUSA-N 0 1 270.442 3.561 20 0 CHADMN Clc1cccc(Cl)c1CNCC1SCCS1 ZINC000692884275 1120942577 /nfs/dbraw/zinc/94/25/77/1120942577.db2.gz HCBOGEGIHOQJSK-UHFFFAOYSA-N 0 1 294.272 3.889 20 0 CHADMN CCc1cccc(NC(=O)c2c[nH]nc2-c2ccsc2)c1 ZINC000187032985 1120959707 /nfs/dbraw/zinc/95/97/07/1120959707.db2.gz RFERRAKFUZCNSP-UHFFFAOYSA-N 0 1 297.383 3.953 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1Cc1coc(-c2cccs2)n1 ZINC000177907403 1120959950 /nfs/dbraw/zinc/95/99/50/1120959950.db2.gz LBHVBWWMCXOQLI-WDEREUQCSA-N 0 1 262.378 3.633 20 0 CHADMN Cc1ccoc1CN(C)Cc1ccc2cnccc2c1 ZINC000644840816 1120967026 /nfs/dbraw/zinc/96/70/26/1120967026.db2.gz KKFWBSKIKJQRDW-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN C[C@H](O)[C@H]1CCCN1Cc1nc(C2CCCCC2)cs1 ZINC000661766343 1120976406 /nfs/dbraw/zinc/97/64/06/1120976406.db2.gz WTFPNYNDVAHWLN-SWLSCSKDSA-N 0 1 294.464 3.536 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000302735311 1120983766 /nfs/dbraw/zinc/98/37/66/1120983766.db2.gz GMMRDYXFQDGAAK-CQSZACIVSA-N 0 1 277.799 3.752 20 0 CHADMN CC(=O)c1ccccc1OCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC000302735259 1120984232 /nfs/dbraw/zinc/98/42/32/1120984232.db2.gz GGCSHISCTVEBLD-HNNXBMFYSA-N 0 1 297.398 3.961 20 0 CHADMN CC[C@H](F)C(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC001342588482 1120984243 /nfs/dbraw/zinc/98/42/43/1120984243.db2.gz CIKMJXYEROUKKU-APPZFPTMSA-N 0 1 284.718 3.569 20 0 CHADMN COc1c(C)cnc(CN(C)Cc2ccc(C)cc2)c1C ZINC000303160258 1120991167 /nfs/dbraw/zinc/99/11/67/1120991167.db2.gz HLTINTBMDWYQIE-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2[nH]1 ZINC000055551604 1120994871 /nfs/dbraw/zinc/99/48/71/1120994871.db2.gz XHENOBXUTHAGEJ-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN Cc1ccc(C[N@H+](C/C=C/c2ccccc2)CCO)cc1 ZINC000221060254 1121012807 /nfs/dbraw/zinc/01/28/07/1121012807.db2.gz XNWPMRQKMBCELW-VMPITWQZSA-N 0 1 281.399 3.503 20 0 CHADMN C[C@@H]([NH2+]Cc1cccc([O-])c1Br)C(C)(C)C ZINC000315445905 1121014251 /nfs/dbraw/zinc/01/42/51/1121014251.db2.gz QAOFWURVMLSNDG-SECBINFHSA-N 0 1 286.213 3.679 20 0 CHADMN CC(C)(C)c1nc[nH]c1C(=O)Nc1ccccc1Cl ZINC000630396236 1128956547 /nfs/dbraw/zinc/95/65/47/1128956547.db2.gz DIDAOXXZOMZEAA-UHFFFAOYSA-N 0 1 277.755 3.613 20 0 CHADMN CCCCC[C@H](CC)C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC001127683004 1128957759 /nfs/dbraw/zinc/95/77/59/1128957759.db2.gz HDPGXKMFOQTTQU-XHSDSOJGSA-N 0 1 282.472 3.534 20 0 CHADMN CCn1ccnc1CN1CCC(C)(CC(C)C)CC1 ZINC000343990039 1121044263 /nfs/dbraw/zinc/04/42/63/1121044263.db2.gz JSQHNESRQFWKOL-UHFFFAOYSA-N 0 1 263.429 3.551 20 0 CHADMN C[C@@H]1CN(CCc2cccc(F)c2F)C[C@H](C)C1(F)F ZINC000625654810 1121046075 /nfs/dbraw/zinc/04/60/75/1121046075.db2.gz QYVWVHRQFBLMSE-PHIMTYICSA-N 0 1 289.316 3.730 20 0 CHADMN C[C@H](N[C@H]1CCCc2nn(C)cc21)c1csc(Cl)c1 ZINC000282508970 1121052729 /nfs/dbraw/zinc/05/27/29/1121052729.db2.gz SPKLPANDNDHCAC-CABZTGNLSA-N 0 1 295.839 3.863 20 0 CHADMN CC(C)c1noc([C@H](C)N2CCCCCCC2)n1 ZINC000074071192 1121054687 /nfs/dbraw/zinc/05/46/87/1121054687.db2.gz VJVDUQNVJQXZFR-LBPRGKRZSA-N 0 1 251.374 3.520 20 0 CHADMN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)C[C@H]1CC=CCC1 ZINC000344050614 1121066498 /nfs/dbraw/zinc/06/64/98/1121066498.db2.gz HRPQUSLRINQISR-KBPBESRZSA-N 0 1 297.402 3.685 20 0 CHADMN CC[C@H](CC1CCCC1)C(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001127683926 1128959960 /nfs/dbraw/zinc/95/99/60/1128959960.db2.gz PDCAPCDMEPKUER-HLLBOEOZSA-N 0 1 294.483 3.534 20 0 CHADMN C[C@H](c1ccccn1)N1Cc2ccccc2OC(C)(C)C1 ZINC000344104510 1121085340 /nfs/dbraw/zinc/08/53/40/1121085340.db2.gz FZNCPYDLGQENFX-CQSZACIVSA-N 0 1 282.387 3.816 20 0 CHADMN C[C@H](NCCF)c1ccc(Br)c(Cl)c1 ZINC000658003737 1121094389 /nfs/dbraw/zinc/09/43/89/1121094389.db2.gz PHEWRNGMFZTLTE-ZETCQYMHSA-N 0 1 280.568 3.723 20 0 CHADMN COCc1cccc(CN[C@H](C)c2ccc(F)cc2F)c1 ZINC000038010504 1121094499 /nfs/dbraw/zinc/09/44/99/1121094499.db2.gz LHZBSDPYDIBTQA-GFCCVEGCSA-N 0 1 291.341 3.962 20 0 CHADMN COCc1cccc(CN[C@@H](C)c2ccc(F)cc2F)c1 ZINC000038010503 1121094967 /nfs/dbraw/zinc/09/49/67/1121094967.db2.gz LHZBSDPYDIBTQA-LBPRGKRZSA-N 0 1 291.341 3.962 20 0 CHADMN CC[N@@H+](CC(=O)[O-])Cc1c(C)cc(C(C)(C)C)cc1C ZINC000038017657 1121097976 /nfs/dbraw/zinc/09/79/76/1121097976.db2.gz OTTOXFIRHOYAMT-UHFFFAOYSA-N 0 1 277.408 3.507 20 0 CHADMN CC[NH+](CC)c1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001174952034 1121108045 /nfs/dbraw/zinc/10/80/45/1121108045.db2.gz KNPZAEAEAPCZQU-UHFFFAOYSA-N 0 1 298.386 3.904 20 0 CHADMN CCc1nnc([C@@H](C)N2CC[C@H](c3cc(C)cc(C)c3)C2)o1 ZINC000344166679 1121108516 /nfs/dbraw/zinc/10/85/16/1121108516.db2.gz NDUMVDJVABIUJT-CABCVRRESA-N 0 1 299.418 3.799 20 0 CHADMN CCN(C(=O)CN(C)[C@H](C)c1ccccc1)c1ccccc1 ZINC000050275347 1121110138 /nfs/dbraw/zinc/11/01/38/1121110138.db2.gz BFWVDMXQJQKCAD-MRXNPFEDSA-N 0 1 296.414 3.733 20 0 CHADMN CCN(CC)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000000246239 1121112524 /nfs/dbraw/zinc/11/25/24/1121112524.db2.gz VRJNSXAFQXXENL-QGZVFWFLSA-N 0 1 288.435 3.518 20 0 CHADMN CCOc1ccc(CN[C@H]2CCCc3sccc32)o1 ZINC000893641822 1121117892 /nfs/dbraw/zinc/11/78/92/1121117892.db2.gz ZTDMRNDYLQOYLD-ZDUSSCGKSA-N 0 1 277.389 3.907 20 0 CHADMN COc1c(C)cc(-n2c(N)nc3c2cccc3C)cc1C ZINC001174995991 1121123595 /nfs/dbraw/zinc/12/35/95/1121123595.db2.gz CMIDDBXVKJFBLL-UHFFFAOYSA-N 0 1 281.359 3.542 20 0 CHADMN CCOc1ccc(CSc2nc3ccc(C)cc3[nH]2)nc1 ZINC000674370228 1121125354 /nfs/dbraw/zinc/12/53/54/1121125354.db2.gz BBNWCYFHRRBPRY-UHFFFAOYSA-N 0 1 299.399 3.957 20 0 CHADMN Cc1ccccc1-c1noc(CN(C)[C@@H](C)C2(C)CC2)n1 ZINC000674506267 1121139371 /nfs/dbraw/zinc/13/93/71/1121139371.db2.gz DTEJJOUYYRLMOH-ZDUSSCGKSA-N 0 1 285.391 3.665 20 0 CHADMN Cc1ccccc1CC(=O)Nc1cccc(Cl)c1O ZINC000172112252 1121139832 /nfs/dbraw/zinc/13/98/32/1121139832.db2.gz OCTRZOSZYTUDQA-UHFFFAOYSA-N 0 1 275.735 3.535 20 0 CHADMN C[C@@H](CO)N(Cc1nc(C(C)(C)C)cs1)C1CCCC1 ZINC000351520119 1121142011 /nfs/dbraw/zinc/14/20/11/1121142011.db2.gz DUSOQIVGZMOCGP-LBPRGKRZSA-N 0 1 296.480 3.566 20 0 CHADMN CCOc1cc(F)c(Nc2nnc(C(C)C)o2)cc1F ZINC001175057794 1121143252 /nfs/dbraw/zinc/14/32/52/1121143252.db2.gz RZWFGMZDXSSSCR-UHFFFAOYSA-N 0 1 283.278 3.614 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)C1(c2ccccc2)CC1 ZINC000172357761 1121146907 /nfs/dbraw/zinc/14/69/07/1121146907.db2.gz UQJCNVSSCHDKNY-UHFFFAOYSA-N 0 1 287.746 3.716 20 0 CHADMN Oc1ccc2c(c1)CN(CCc1ccc(Cl)cc1)C2 ZINC000625728248 1121147186 /nfs/dbraw/zinc/14/71/86/1121147186.db2.gz CDXLDTKTRLOSMR-UHFFFAOYSA-N 0 1 273.763 3.604 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2nc3ccccc3n2C)cc1 ZINC000172390011 1121148892 /nfs/dbraw/zinc/14/88/92/1121148892.db2.gz AJTFXCBOQBVEEB-AWEZNQCLSA-N 0 1 293.414 3.987 20 0 CHADMN C[C@@H](NC1(c2ccccc2)CC1)c1ccnn1C1CCC1 ZINC000925825655 1121151784 /nfs/dbraw/zinc/15/17/84/1121151784.db2.gz HKAINDVRWGFCOZ-CQSZACIVSA-N 0 1 281.403 3.948 20 0 CHADMN O=C1Oc2ccccc2/C1=C/c1ccc(O)c(Cl)c1 ZINC000067006267 1121153925 /nfs/dbraw/zinc/15/39/25/1121153925.db2.gz WQPSBUFTZHQACS-XFFZJAGNSA-N 0 1 272.687 3.505 20 0 CHADMN Cc1ccc(-c2cc(CN3CCSC[C@@H]3C)on2)cc1 ZINC000172591186 1121156071 /nfs/dbraw/zinc/15/60/71/1121156071.db2.gz KZKVXNREOWPWDX-ZDUSSCGKSA-N 0 1 288.416 3.587 20 0 CHADMN C[C@H](NC1(c2ccccc2)CC1)c1cccc2c1OCO2 ZINC000925826299 1121158506 /nfs/dbraw/zinc/15/85/06/1121158506.db2.gz LNJJMFXRUBGTFO-ZDUSSCGKSA-N 0 1 281.355 3.755 20 0 CHADMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1nc(C(C)(C)C)co1 ZINC000893677977 1121161026 /nfs/dbraw/zinc/16/10/26/1121161026.db2.gz YZIJCIPMXUCTBO-NWDGAFQWSA-N 0 1 250.386 3.593 20 0 CHADMN CC[C@@H]1[C@@H](C)CCN1Cc1nc(C(C)(C)C)co1 ZINC000893677977 1121161029 /nfs/dbraw/zinc/16/10/29/1121161029.db2.gz YZIJCIPMXUCTBO-NWDGAFQWSA-N 0 1 250.386 3.593 20 0 CHADMN COC(=O)c1cc(C(C)(C)C)sc1N=CCC(C)(C)O ZINC001203211666 1121162826 /nfs/dbraw/zinc/16/28/26/1121162826.db2.gz XRGLKEMGPVIGHQ-BQYQJAHWSA-N 0 1 297.420 3.529 20 0 CHADMN Cc1ccncc1CCN[C@@H](C)c1csc(C(C)C)n1 ZINC000658122591 1121167444 /nfs/dbraw/zinc/16/74/44/1121167444.db2.gz GEQPWBGSUFYXKD-ZDUSSCGKSA-N 0 1 289.448 3.863 20 0 CHADMN Cc1ccc(C[N@@H+](C)CCC(C)(C)C)cc1C(=O)[O-] ZINC000701828861 1121170213 /nfs/dbraw/zinc/17/02/13/1121170213.db2.gz CAXPNVHDRARESJ-UHFFFAOYSA-N 0 1 263.381 3.561 20 0 CHADMN Cc1cc(F)ccc1NCc1[nH]nc2ccccc21 ZINC000674718233 1121173047 /nfs/dbraw/zinc/17/30/47/1121173047.db2.gz ZNZAANHIQARZHG-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN COc1ccc2cc(Br)ccc2c1NC=N ZINC001167867561 1121175104 /nfs/dbraw/zinc/17/51/04/1121175104.db2.gz LLIWRGGQJDHDAR-UHFFFAOYSA-N 0 1 279.137 3.630 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1ccc(OC)nc1 ZINC000674758460 1121176353 /nfs/dbraw/zinc/17/63/53/1121176353.db2.gz MUNMPYFAWZSJJJ-KRWDZBQOSA-N 0 1 282.387 3.600 20 0 CHADMN CCOc1cccc(Nc2cc(C)nn2-c2ccncc2)c1 ZINC001175092460 1121181855 /nfs/dbraw/zinc/18/18/55/1121181855.db2.gz UWQKIMCTADFKRJ-UHFFFAOYSA-N 0 1 294.358 3.718 20 0 CHADMN Cc1cccc2ncc(CN[C@H]3CSc4ccccc43)n21 ZINC000344432498 1121185602 /nfs/dbraw/zinc/18/56/02/1121185602.db2.gz GHRATKVQMIIOEG-HNNXBMFYSA-N 0 1 295.411 3.579 20 0 CHADMN C[C@@H](NCCC1CCC1)c1nc(Cc2ccccc2)no1 ZINC000674868873 1121189601 /nfs/dbraw/zinc/18/96/01/1121189601.db2.gz XKIXYZZFZLVPIY-CYBMUJFWSA-N 0 1 285.391 3.501 20 0 CHADMN Fc1ccc(CNCc2cc(F)c(F)c(F)c2)cc1F ZINC000062708525 1121189766 /nfs/dbraw/zinc/18/97/66/1121189766.db2.gz DDNDMCYAAJPUEB-UHFFFAOYSA-N 0 1 287.231 3.672 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2F)C2CCCC2)[nH]n1 ZINC000674883112 1121191647 /nfs/dbraw/zinc/19/16/47/1121191647.db2.gz SLHZHIMPCSPGCR-QGZVFWFLSA-N 0 1 287.382 3.878 20 0 CHADMN COC[C@@H](N[C@H]1CCc2ccccc21)c1cccc(OC)c1 ZINC000658162084 1121194137 /nfs/dbraw/zinc/19/41/37/1121194137.db2.gz BMRJDONJNYLQPT-RBUKOAKNSA-N 0 1 297.398 3.660 20 0 CHADMN COC[C@@H](N[C@@H]1CCc2ccccc21)c1cccc(OC)c1 ZINC000658162086 1121194275 /nfs/dbraw/zinc/19/42/75/1121194275.db2.gz BMRJDONJNYLQPT-RTBURBONSA-N 0 1 297.398 3.660 20 0 CHADMN C[C@H]1c2c(F)cccc2CCN1CCCOC(C)(C)C ZINC000674909748 1121196202 /nfs/dbraw/zinc/19/62/02/1121196202.db2.gz TWLJZTFKXJHDQZ-ZDUSSCGKSA-N 0 1 279.399 3.950 20 0 CHADMN C[C@H]1CN(CCCOC(C)(C)C)[C@H](c2ccccc2)CO1 ZINC000674908799 1121197011 /nfs/dbraw/zinc/19/70/11/1121197011.db2.gz BXUYSNKHVQJRBX-RDJZCZTQSA-N 0 1 291.435 3.654 20 0 CHADMN CCOc1cc(C)ccc1CNCc1n[nH]c2ccccc12 ZINC000674911479 1121197173 /nfs/dbraw/zinc/19/71/73/1121197173.db2.gz GFDNSLQYYBHMBQ-UHFFFAOYSA-N 0 1 295.386 3.560 20 0 CHADMN CCOc1cc(C)ccc1CNCc1[nH]nc2ccccc21 ZINC000674911479 1121197177 /nfs/dbraw/zinc/19/71/77/1121197177.db2.gz GFDNSLQYYBHMBQ-UHFFFAOYSA-N 0 1 295.386 3.560 20 0 CHADMN Oc1cccc(CNc2ccc3c[nH]nc3c2)c1Cl ZINC000380754386 1121203089 /nfs/dbraw/zinc/20/30/89/1121203089.db2.gz BTTHFOFZZKMENB-UHFFFAOYSA-N 0 1 273.723 3.534 20 0 CHADMN CC(C)C1CCC(N(C)C(=O)c2cccc3n[nH]cc32)CC1 ZINC000432553977 1121206246 /nfs/dbraw/zinc/20/62/46/1121206246.db2.gz RFGWUZHGQBFIAL-UHFFFAOYSA-N 0 1 299.418 3.850 20 0 CHADMN Cc1ncccc1CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000675103936 1121216334 /nfs/dbraw/zinc/21/63/34/1121216334.db2.gz IZVGURCQIAALKQ-KRWDZBQOSA-N 0 1 294.398 3.926 20 0 CHADMN CCCCN(C(=O)Cc1ccn[nH]1)[C@H](CC)c1ccccc1 ZINC000173596311 1121218420 /nfs/dbraw/zinc/21/84/20/1121218420.db2.gz FKGISHZMOYBYOX-QGZVFWFLSA-N 0 1 299.418 3.732 20 0 CHADMN C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1cccs1 ZINC000429243079 1121221010 /nfs/dbraw/zinc/22/10/10/1121221010.db2.gz ZHRRPMAJZYGUSX-CYBMUJFWSA-N 0 1 290.407 3.598 20 0 CHADMN C[C@@H]1CN(c2cccc(F)c2)CCN1Cc1cccs1 ZINC000429243079 1121221018 /nfs/dbraw/zinc/22/10/18/1121221018.db2.gz ZHRRPMAJZYGUSX-CYBMUJFWSA-N 0 1 290.407 3.598 20 0 CHADMN C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)c1ccc2c(c1)OCO2 ZINC000261600018 1121241658 /nfs/dbraw/zinc/24/16/58/1121241658.db2.gz BIBIHGIDJVKBOE-TYNCELHUSA-N 0 1 299.370 3.983 20 0 CHADMN CCOc1ccc(-n2c(N)nc3c2cccc3C)c(C)c1 ZINC001175243292 1121243384 /nfs/dbraw/zinc/24/33/84/1121243384.db2.gz YUTHEIWUSUIRLR-UHFFFAOYSA-N 0 1 281.359 3.623 20 0 CHADMN CCn1cc([C@H](C)N[C@H](C)c2ccc(C)c(F)c2)cn1 ZINC000094953054 1121247715 /nfs/dbraw/zinc/24/77/15/1121247715.db2.gz DHBRNUOENWJFAO-OLZOCXBDSA-N 0 1 275.371 3.762 20 0 CHADMN COCCC[N@@H+](C)Cc1ccccc1OCc1ccccc1 ZINC000512286527 1121249279 /nfs/dbraw/zinc/24/92/79/1121249279.db2.gz OWOUBSFJPCEELL-UHFFFAOYSA-N 0 1 299.414 3.734 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2csc(CC)n2)C1 ZINC000112089621 1121250689 /nfs/dbraw/zinc/25/06/89/1121250689.db2.gz OAIFQAUMKIHERO-CYBMUJFWSA-N 0 1 284.494 3.813 20 0 CHADMN Cc1cncc(CNCc2cccc(C(F)(F)F)c2)c1 ZINC000122902961 1121251469 /nfs/dbraw/zinc/25/14/69/1121251469.db2.gz MLOAOMZMGUGUFC-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN CCCCC[C@@H](NCc1ccc(OC)nn1)c1ccccc1 ZINC000283102658 1121263121 /nfs/dbraw/zinc/26/31/21/1121263121.db2.gz LWCSBXCPOPJYDC-QGZVFWFLSA-N 0 1 299.418 3.896 20 0 CHADMN CCc1nocc1CN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000512339637 1121275640 /nfs/dbraw/zinc/27/56/40/1121275640.db2.gz XZBXZHLPTGCLDA-QXPKXGMISA-N 0 1 282.387 3.915 20 0 CHADMN C[C@H]1C[C@]1(NCc1ccccn1)c1ccc(Cl)cc1 ZINC000500461379 1121280844 /nfs/dbraw/zinc/28/08/44/1121280844.db2.gz JBPPHIHDVAYRKM-BLLLJJGKSA-N 0 1 272.779 3.760 20 0 CHADMN CC[C@@H]1C[C@@]1(NCc1cnn(CC)c1)c1cccc(C)c1 ZINC000500504662 1121290172 /nfs/dbraw/zinc/29/01/72/1121290172.db2.gz UGUKUSIMGZBGHI-AEFFLSMTSA-N 0 1 283.419 3.626 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1cccs1)c1ccccc1F ZINC000766127175 1121290202 /nfs/dbraw/zinc/29/02/02/1121290202.db2.gz AXORMFZQLMSXPV-RISCZKNCSA-N 0 1 279.380 3.662 20 0 CHADMN CSC[C@@H]1CCCN1Cc1nc2ccc(F)cc2s1 ZINC000432723496 1121299183 /nfs/dbraw/zinc/29/91/83/1121299183.db2.gz BBZITGZTDFJYIN-NSHDSACASA-N 0 1 296.436 3.763 20 0 CHADMN COCC1CCN(Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432752378 1121317259 /nfs/dbraw/zinc/31/72/59/1121317259.db2.gz LLSFWUVZPYGBCL-UHFFFAOYSA-N 0 1 293.354 3.625 20 0 CHADMN C[C@H]1CN(Cc2ccccc2NCCC2CC2)C[C@H](C)O1 ZINC000438292377 1121330249 /nfs/dbraw/zinc/33/02/49/1121330249.db2.gz ICPOGQGODFNESY-GJZGRUSLSA-N 0 1 288.435 3.508 20 0 CHADMN Cc1ccc2oc(CN[C@H](C)c3cccnc3)cc2c1 ZINC000152033134 1121346085 /nfs/dbraw/zinc/34/60/85/1121346085.db2.gz GASKRJMTLKYUFE-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN CCc1cccc(OCCN(C)Cc2ccc(C)o2)c1 ZINC000675740074 1121346523 /nfs/dbraw/zinc/34/65/23/1121346523.db2.gz HSJPIKCKXADDEZ-UHFFFAOYSA-N 0 1 273.376 3.661 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)o1 ZINC000675730718 1121349465 /nfs/dbraw/zinc/34/94/65/1121349465.db2.gz ZCBHVJRSAZHLGN-QWHCGFSZSA-N 0 1 298.386 3.885 20 0 CHADMN Cc1occc1CN[C@H](CC(C)C)c1ccccn1 ZINC000675779707 1121354884 /nfs/dbraw/zinc/35/48/84/1121354884.db2.gz OZLJETGRCWADEO-MRXNPFEDSA-N 0 1 258.365 3.860 20 0 CHADMN CCc1nc2c(s1)[C@H](NCc1ccoc1C)CCC2 ZINC000675778916 1121355523 /nfs/dbraw/zinc/35/55/23/1121355523.db2.gz BDTOULWRBSSVNC-GFCCVEGCSA-N 0 1 276.405 3.774 20 0 CHADMN CCCc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000675768494 1121357654 /nfs/dbraw/zinc/35/76/54/1121357654.db2.gz YVZWEGJFGZFKQF-MRXNPFEDSA-N 0 1 269.392 3.529 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(N2CCCC2)nc1 ZINC001175523082 1121361983 /nfs/dbraw/zinc/36/19/83/1121361983.db2.gz FIJDKHNJJKVJEQ-UHFFFAOYSA-N 0 1 293.374 3.610 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(C2CCC2)nn1C ZINC001175523116 1121362380 /nfs/dbraw/zinc/36/23/80/1121362380.db2.gz FTHUFQKKPDDPCB-UHFFFAOYSA-N 0 1 281.363 3.616 20 0 CHADMN C[C@H]1CC2(CCC2)CN1Cc1ccc(Br)o1 ZINC000432816184 1121381568 /nfs/dbraw/zinc/38/15/68/1121381568.db2.gz NQQZHZYUYPOMEQ-JTQLQIEISA-N 0 1 284.197 3.807 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(-c2ccccn2)no1 ZINC001175524202 1121362785 /nfs/dbraw/zinc/36/27/85/1121362785.db2.gz PMAXERYPBACGHQ-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(C)c(N)cc1C ZINC001175525813 1121365143 /nfs/dbraw/zinc/36/51/43/1121365143.db2.gz GNYIQFFPZSLUDS-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@@H]1CCc2ccc(C)cc21 ZINC000675807731 1121365316 /nfs/dbraw/zinc/36/53/16/1121365316.db2.gz CSKWLXBWFIAEJU-GOSISDBHSA-N 0 1 296.414 3.793 20 0 CHADMN CCCCC[C@@H](C)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000236808422 1121366154 /nfs/dbraw/zinc/36/61/54/1121366154.db2.gz ZJLVULPGZDHXRR-VXGBXAGGSA-N 0 1 267.417 3.987 20 0 CHADMN CC(=O)Nc1cccc(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175525879 1121366346 /nfs/dbraw/zinc/36/63/46/1121366346.db2.gz JZDKJJJQYONLBU-UHFFFAOYSA-N 0 1 280.331 3.573 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(Cl)c(CO)c1 ZINC001175526960 1121367526 /nfs/dbraw/zinc/36/75/26/1121367526.db2.gz DKXKLGDKKFCJAY-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN COc1ccc(OC)c(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175526611 1121368127 /nfs/dbraw/zinc/36/81/27/1121368127.db2.gz VHJPFRRFANTRAD-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(Cl)cc(CO)c1 ZINC001175526926 1121369397 /nfs/dbraw/zinc/36/93/97/1121369397.db2.gz BOIBROHWIOIASD-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2snnc21 ZINC001175527607 1121370091 /nfs/dbraw/zinc/37/00/91/1121370091.db2.gz RDXBOUGCCJDXFJ-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(F)cc(N)c1Cl ZINC001175527515 1121370107 /nfs/dbraw/zinc/37/01/07/1121370107.db2.gz MDGOOUKUUQVUIT-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN Cc1occc1CNCc1ccc(CC(F)(F)F)cc1 ZINC000631049171 1128981105 /nfs/dbraw/zinc/98/11/05/1128981105.db2.gz FIUSBUNDMQSWOV-UHFFFAOYSA-N 0 1 283.293 3.983 20 0 CHADMN COc1ccc(Nc2c3cn[nH]c3ccc2C)c(C(C)=O)c1 ZINC001175527295 1121371359 /nfs/dbraw/zinc/37/13/59/1121371359.db2.gz GSQKEZMMGICWPX-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN CCCCc1ccc([C@@H](C)NCc2cc(C)n[nH]2)cc1 ZINC000675892177 1121376982 /nfs/dbraw/zinc/37/69/82/1121376982.db2.gz LSQXOXXASUJENU-CQSZACIVSA-N 0 1 271.408 3.912 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(-c3ccccc3)o2)[nH]n1 ZINC000675893499 1121377011 /nfs/dbraw/zinc/37/70/11/1121377011.db2.gz MSSWCOGDGNIABV-ZDUSSCGKSA-N 0 1 281.359 3.829 20 0 CHADMN Cc1ncsc1CCCN[C@H](CF)c1ccc(F)cc1 ZINC001175560885 1121386554 /nfs/dbraw/zinc/38/65/54/1121386554.db2.gz QBBBJINCKUIXHA-CQSZACIVSA-N 0 1 296.386 3.824 20 0 CHADMN FC[C@@H](NCCc1c(F)cccc1F)c1ccc(F)cc1 ZINC001175561429 1121386646 /nfs/dbraw/zinc/38/66/46/1121386646.db2.gz SRPDCQVLGJEIFL-MRXNPFEDSA-N 0 1 297.295 3.947 20 0 CHADMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)C1CC1 ZINC000432821021 1121387116 /nfs/dbraw/zinc/38/71/16/1121387116.db2.gz VJOAWFQSMXYUQI-NEPJUHHUSA-N 0 1 278.444 3.501 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1nnc(C(C)(C)C)[nH]1)C1CC1 ZINC000432821021 1121387124 /nfs/dbraw/zinc/38/71/24/1121387124.db2.gz VJOAWFQSMXYUQI-NEPJUHHUSA-N 0 1 278.444 3.501 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1Cc1nnc(C(C)(C)C)[nH]1 ZINC000432821407 1121390037 /nfs/dbraw/zinc/39/00/37/1121390037.db2.gz JLELRJKWEUJYGT-STQMWFEESA-N 0 1 278.444 3.503 20 0 CHADMN CCc1c(C)sc(NC=CC(C)(C)C)c1C(N)=O ZINC001175569774 1121391542 /nfs/dbraw/zinc/39/15/42/1121391542.db2.gz XJNMWFZSLVDFEM-BQYQJAHWSA-N 0 1 266.410 3.690 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1csc(C)c1C ZINC000631072788 1128982787 /nfs/dbraw/zinc/98/27/87/1128982787.db2.gz YEVDARHXNZLZBQ-VIFPVBQESA-N 0 1 264.394 3.821 20 0 CHADMN CN(CCOC(C)(C)C)Cc1ccccc1OC(F)F ZINC000676041536 1121400554 /nfs/dbraw/zinc/40/05/54/1121400554.db2.gz KPXDERCSMGQBQD-UHFFFAOYSA-N 0 1 287.350 3.535 20 0 CHADMN CC[C@@H](NCc1ccc(C)cc1F)c1ccncc1 ZINC000631080681 1128983471 /nfs/dbraw/zinc/98/34/71/1128983471.db2.gz VBOFESSWYADBMI-MRXNPFEDSA-N 0 1 258.340 3.770 20 0 CHADMN C[C@H](CC(=O)Nc1cccc(Cl)c1O)c1ccncc1 ZINC000676147955 1121409258 /nfs/dbraw/zinc/40/92/58/1121409258.db2.gz OFNAKZNMDMRICS-SNVBAGLBSA-N 0 1 290.750 3.573 20 0 CHADMN Cc1cc(Nc2ccc3nn(C)cc3c2)c2ccccc2n1 ZINC001175618433 1121413626 /nfs/dbraw/zinc/41/36/26/1121413626.db2.gz WPSMLZBATACHFX-UHFFFAOYSA-N 0 1 288.354 3.595 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccnc3C3CC3)cc21 ZINC001175693770 1121414362 /nfs/dbraw/zinc/41/43/62/1121414362.db2.gz JUFDYKLQDRNJIW-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cnc4ccccc4n3)cc21 ZINC001175694115 1121414826 /nfs/dbraw/zinc/41/48/26/1121414826.db2.gz NPRKWPBGUMUVRL-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4ocnc4c3)cc12 ZINC001175698668 1121416050 /nfs/dbraw/zinc/41/60/50/1121416050.db2.gz ABQPVKLCIABWIL-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cn4c(cccc4Cl)n3)cc12 ZINC001175698804 1121416344 /nfs/dbraw/zinc/41/63/44/1121416344.db2.gz FVLVSZBIRINRES-UHFFFAOYSA-N 0 1 297.749 3.916 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(C)cc3O)cc12 ZINC001175699375 1121416396 /nfs/dbraw/zinc/41/63/96/1121416396.db2.gz OXSYYTVHOYUUNR-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COc1ccc(Nc2ccc3n[nH]c(C)c3c2)cc1 ZINC001175699164 1121416769 /nfs/dbraw/zinc/41/67/69/1121416769.db2.gz KDVKNAVXVADNQF-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccnc(Cl)c3)cc12 ZINC001175695728 1121416865 /nfs/dbraw/zinc/41/68/65/1121416865.db2.gz MXZNEDRHXIGXMD-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(C)c(O)cc3C)cc12 ZINC001175700225 1121418089 /nfs/dbraw/zinc/41/80/89/1121418089.db2.gz XCSSURUYOBBZQK-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc(N(C)C)c3)cc21 ZINC001175701442 1121419084 /nfs/dbraw/zinc/41/90/84/1121419084.db2.gz DDYBNBHDTVKMQB-UHFFFAOYSA-N 0 1 266.348 3.681 20 0 CHADMN CCn1ncc2cc(Nc3ccc4n[nH]c(C)c4c3)ccc21 ZINC001175701366 1121419234 /nfs/dbraw/zinc/41/92/34/1121419234.db2.gz AIMCRBPAJZWVAA-UHFFFAOYSA-N 0 1 291.358 3.985 20 0 CHADMN Cc1[nH]nc2ccc(N(C)c3cc(C)ccc3N)cc12 ZINC001175701406 1121419708 /nfs/dbraw/zinc/41/97/08/1121419708.db2.gz BKFVYZUEBNSKDE-UHFFFAOYSA-N 0 1 266.348 3.530 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccccc3C3OCCO3)cc21 ZINC001175701747 1121419931 /nfs/dbraw/zinc/41/99/31/1121419931.db2.gz JHJAWTMKWXPFEY-UHFFFAOYSA-N 0 1 295.342 3.660 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(Cl)ccc3CO)cc12 ZINC001175702134 1121420418 /nfs/dbraw/zinc/42/04/18/1121420418.db2.gz LQHWTPUEJHQEFT-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN COCc1ccc(Nc2ccc3n[nH]c(C)c3c2)cc1 ZINC001175702216 1121421078 /nfs/dbraw/zinc/42/10/78/1121421078.db2.gz OWGJQAZWTDLOAY-UHFFFAOYSA-N 0 1 267.332 3.761 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(Cl)ncc3C)ccc12 ZINC001175656230 1121421993 /nfs/dbraw/zinc/42/19/93/1121421993.db2.gz BGFKZJSZBRMQGU-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1[nH]nc2cc(Nc3cnc4ccc(O)cc4c3)ccc12 ZINC001175656983 1121422035 /nfs/dbraw/zinc/42/20/35/1121422035.db2.gz NBPRHAFVDLZAOF-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccnc(Cl)c3F)ccc12 ZINC001175656242 1121422107 /nfs/dbraw/zinc/42/21/07/1121422107.db2.gz BVPDBRUKHFOJJD-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(Cl)ncc3F)ccc12 ZINC001175656976 1121422374 /nfs/dbraw/zinc/42/23/74/1121422374.db2.gz NBMJYUXBRYQXDR-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN COc1ccc(Cl)cc1NCc1ccc2nc[nH]c2c1 ZINC000676316118 1121422488 /nfs/dbraw/zinc/42/24/88/1121422488.db2.gz ACZDJAHUNFCXGG-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN Cc1[nH]nc2cc(Nc3cnc(C)cc3C)ccc21 ZINC001175657817 1121423328 /nfs/dbraw/zinc/42/33/28/1121423328.db2.gz ZSWDIQVFTWKELO-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN c1ncc(-c2ccc(NCc3[nH]nc4ccccc43)cc2)o1 ZINC000676318667 1121423356 /nfs/dbraw/zinc/42/33/56/1121423356.db2.gz LYDCNXNDZKOTJQ-UHFFFAOYSA-N 0 1 290.326 3.830 20 0 CHADMN Cc1nc2ccccn2c1Nc1ccc2c(c1)n[nH]c2C ZINC001175657695 1121423686 /nfs/dbraw/zinc/42/36/86/1121423686.db2.gz WXGBSWRVHNYRFC-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN FCCOc1cccc(NCc2[nH]nc3ccccc32)c1 ZINC000676325314 1121424057 /nfs/dbraw/zinc/42/40/57/1121424057.db2.gz BDHHDPBNUWSNIM-UHFFFAOYSA-N 0 1 285.322 3.523 20 0 CHADMN COc1cc(Cl)nc(Nc2ccc3c(C)[nH]nc3c2)c1 ZINC001175659817 1121424697 /nfs/dbraw/zinc/42/46/97/1121424697.db2.gz IVSVSPJWCCRRIF-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4nn(C)cc4c3)ccc12 ZINC001175661539 1121424803 /nfs/dbraw/zinc/42/48/03/1121424803.db2.gz LYFJDWGHPZKFKF-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc(F)c3F)ccc12 ZINC001175661424 1121424935 /nfs/dbraw/zinc/42/49/35/1121424935.db2.gz LGVFWCYGPJPIDV-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1cc2c(ncnc2Nc2ccc3c(C)[nH]nc3c2)s1 ZINC001175659844 1121424979 /nfs/dbraw/zinc/42/49/79/1121424979.db2.gz PJVQRWCVIBBILW-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(C)cc(C)c3O)ccc12 ZINC001175661595 1121425050 /nfs/dbraw/zinc/42/50/50/1121425050.db2.gz OCNKGOYBWUVUCW-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN Cc1[nH]nc2cc(Nc3snc4cccnc43)ccc21 ZINC001175661215 1121425075 /nfs/dbraw/zinc/42/50/75/1121425075.db2.gz FNGOBAFCWWXDGL-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN C[C@@H]1CCCC[C@H]1CC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000676346050 1121425452 /nfs/dbraw/zinc/42/54/52/1121425452.db2.gz CZQCBDJDKREHII-BDAKNGLRSA-N 0 1 289.301 3.583 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4c(c3)C(=O)CC4)ccc12 ZINC001175662018 1121426412 /nfs/dbraw/zinc/42/64/12/1121426412.db2.gz YZUMNHXYTWYJJN-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4c(c3)OCC4)ccc21 ZINC001175662670 1121426467 /nfs/dbraw/zinc/42/64/67/1121426467.db2.gz ASGJUTCXZIVHGA-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143538696 1121427443 /nfs/dbraw/zinc/42/74/43/1121427443.db2.gz PIRGYFFXADLUFU-SNVBAGLBSA-N 0 1 291.288 3.956 20 0 CHADMN COc1ccc(F)c(Nc2ccc3c(C)[nH]nc3c2)c1F ZINC001175662810 1121427578 /nfs/dbraw/zinc/42/75/78/1121427578.db2.gz DRXVWCRPKVGQBN-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4c(c3)CCC4=O)ccc12 ZINC001175662956 1121427711 /nfs/dbraw/zinc/42/77/11/1121427711.db2.gz LLIKEFOMDUHXMI-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(Cl)c(CO)c3)ccc12 ZINC001175662770 1121428179 /nfs/dbraw/zinc/42/81/79/1121428179.db2.gz CMFDNAIAWLAUBL-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN c1ccc2sc([C@@H]3CCCN3[C@H]3CCCOC3)nc2c1 ZINC000676369148 1121428402 /nfs/dbraw/zinc/42/84/02/1121428402.db2.gz BXOBWRSULZQHIY-JSGCOSHPSA-N 0 1 288.416 3.612 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccccc3[C@H](C)O)cc12 ZINC001175702991 1121428751 /nfs/dbraw/zinc/42/87/51/1121428751.db2.gz VZVGAYPUMNAZBN-NSHDSACASA-N 0 1 267.332 3.668 20 0 CHADMN O=c1ccc2c([nH]1)CCC[C@H]2NCc1cscc1Cl ZINC000676415698 1121433285 /nfs/dbraw/zinc/43/32/85/1121433285.db2.gz HEGVCQFOYRDKAT-GFCCVEGCSA-N 0 1 294.807 3.669 20 0 CHADMN Cc1[nH]nc(CN(C)Cc2ccc(C(F)(F)F)cc2)c1C ZINC000893863164 1121433358 /nfs/dbraw/zinc/43/33/58/1121433358.db2.gz CVTLNNMWVBQFFQ-UHFFFAOYSA-N 0 1 297.324 3.677 20 0 CHADMN CO[C@]1(C)C[C@H](N[C@@H](C)c2nc(C)sc2C)C1(C)C ZINC000676493397 1121435776 /nfs/dbraw/zinc/43/57/76/1121435776.db2.gz XONYKLOVLMFJGS-ONENECBXSA-N 0 1 282.453 3.614 20 0 CHADMN Cc1nc([C@@H](C)NC[C@](C)(O)CCC(C)C)c(C)s1 ZINC000676493306 1121436391 /nfs/dbraw/zinc/43/63/91/1121436391.db2.gz VKUDRZVLCWMQHO-IAQYHMDHSA-N 0 1 284.469 3.598 20 0 CHADMN FC1CCN(CCc2c(Cl)cccc2Cl)CC1 ZINC001175733906 1121441861 /nfs/dbraw/zinc/44/18/61/1121441861.db2.gz QZWBCFKQZKIZIA-UHFFFAOYSA-N 0 1 276.182 3.970 20 0 CHADMN Cc1ccnc(N)c1CN(Cc1cccc(F)c1)C(C)C ZINC000893943667 1121442897 /nfs/dbraw/zinc/44/28/97/1121442897.db2.gz BPOCBCHOHFTLCC-UHFFFAOYSA-N 0 1 287.382 3.522 20 0 CHADMN C[C@H](NCc1cnn(C)c1C1CC1)c1cc2ccccc2o1 ZINC000893933930 1121443057 /nfs/dbraw/zinc/44/30/57/1121443057.db2.gz SVQHYOMKPDHUEJ-LBPRGKRZSA-N 0 1 295.386 3.895 20 0 CHADMN Cc1ncoc1CN(Cc1ccc(F)cc1)C(C)C ZINC000893944096 1121444642 /nfs/dbraw/zinc/44/46/42/1121444642.db2.gz PJDGGENXRPTDFU-UHFFFAOYSA-N 0 1 262.328 3.533 20 0 CHADMN Cc1cc(C)c(/C=C\CN[C@H](C)c2nccn2C)cc1C ZINC000631177666 1128989672 /nfs/dbraw/zinc/98/96/72/1128989672.db2.gz QBLSSKXPTIVJBH-MWWKQMNYSA-N 0 1 283.419 3.709 20 0 CHADMN CC(C)CC[C@@H]1CCCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000473402974 1121449312 /nfs/dbraw/zinc/44/93/12/1121449312.db2.gz CBMTXANNWIGTKD-AWEZNQCLSA-N 0 1 291.439 3.964 20 0 CHADMN CC1CN(CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000549810088 1121450811 /nfs/dbraw/zinc/45/08/11/1121450811.db2.gz MRAXHUKWJPTJRS-UHFFFAOYSA-N 0 1 284.186 3.721 20 0 CHADMN COc1ccc([C@@H]2CCN(Cc3nc(C(C)C)c[nH]3)C2)cc1 ZINC000893986135 1121451117 /nfs/dbraw/zinc/45/11/17/1121451117.db2.gz KOQJTYDJDNHJHS-OAHLLOKOSA-N 0 1 299.418 3.531 20 0 CHADMN Cc1cc(CN2C[C@@H]3CCCC[C@@]32C)cc(Cl)n1 ZINC000707195068 1121451664 /nfs/dbraw/zinc/45/16/64/1121451664.db2.gz SEDKMKBBPUCWGH-ZFWWWQNUSA-N 0 1 264.800 3.808 20 0 CHADMN Fc1ccc(N=C2CCCCC2)c(Br)n1 ZINC001175753221 1121452662 /nfs/dbraw/zinc/45/26/62/1121452662.db2.gz UCCWIEXKXMUOHU-UHFFFAOYSA-N 0 1 271.133 3.853 20 0 CHADMN COc1ccccc1[C@H]1CCCC[N@H+]1Cc1[nH]nc(C)c1C ZINC000894004311 1121454242 /nfs/dbraw/zinc/45/42/42/1121454242.db2.gz MTBRJDHGJUWVRD-QGZVFWFLSA-N 0 1 299.418 3.762 20 0 CHADMN COc1ccccc1[C@H]1CCCCN1Cc1[nH]nc(C)c1C ZINC000894004311 1121454244 /nfs/dbraw/zinc/45/42/44/1121454244.db2.gz MTBRJDHGJUWVRD-QGZVFWFLSA-N 0 1 299.418 3.762 20 0 CHADMN COc1ccccc1[C@H]1CCCCN1Cc1n[nH]c(C)c1C ZINC000894004311 1121454246 /nfs/dbraw/zinc/45/42/46/1121454246.db2.gz MTBRJDHGJUWVRD-QGZVFWFLSA-N 0 1 299.418 3.762 20 0 CHADMN CCc1ccc(-c2ccc(-n3cnc(C)c3N)cc2)cc1 ZINC001175763095 1121457258 /nfs/dbraw/zinc/45/72/58/1121457258.db2.gz VEVHBLXKFUAHEV-UHFFFAOYSA-N 0 1 277.371 3.992 20 0 CHADMN CCCOc1ccc2c(c1)CCN([C@H](C)c1ccncc1)C2 ZINC000676710289 1121458429 /nfs/dbraw/zinc/45/84/29/1121458429.db2.gz AQNFNZASTQMVDY-OAHLLOKOSA-N 0 1 296.414 3.990 20 0 CHADMN CSC1CC(N[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000708320213 1121464823 /nfs/dbraw/zinc/46/48/23/1121464823.db2.gz KHUVZBQCDYHYCF-DQPZFDDXSA-N 0 1 284.428 3.655 20 0 CHADMN Cc1cc(CN[C@@H](C)CSc2ccc(C)cc2)on1 ZINC000631114790 1128986143 /nfs/dbraw/zinc/98/61/43/1128986143.db2.gz ZQMLQTNZLILJDV-ZDUSSCGKSA-N 0 1 276.405 3.562 20 0 CHADMN Cc1cscc1CNCc1ccc(C(F)F)nc1 ZINC000631119899 1128986257 /nfs/dbraw/zinc/98/62/57/1128986257.db2.gz DOMQDRXTJLDTLU-UHFFFAOYSA-N 0 1 268.332 3.679 20 0 CHADMN Cc1coc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000894087945 1121467722 /nfs/dbraw/zinc/46/77/22/1121467722.db2.gz IAUNSHCRSGKPSQ-ZFWWWQNUSA-N 0 1 291.416 3.738 20 0 CHADMN CC1(C)C[C@H](C[NH2+]Cc2cccc([O-])c2Cl)C(C)(C)O1 ZINC000709708008 1121469784 /nfs/dbraw/zinc/46/97/84/1121469784.db2.gz VLXDAGZWCGAOKH-GFCCVEGCSA-N 0 1 297.826 3.729 20 0 CHADMN CC(C)(C)SCCSc1nc(C(C)(C)C)n[nH]1 ZINC000801656446 1128986565 /nfs/dbraw/zinc/98/65/65/1128986565.db2.gz HAOIPNKFHRZFQX-UHFFFAOYSA-N 0 1 273.471 3.726 20 0 CHADMN CC(C)(C)SCCSc1n[nH]c(C(C)(C)C)n1 ZINC000801656446 1128986567 /nfs/dbraw/zinc/98/65/67/1128986567.db2.gz HAOIPNKFHRZFQX-UHFFFAOYSA-N 0 1 273.471 3.726 20 0 CHADMN COc1ccccc1OCC[N@@H+](C)Cc1ccsc1C ZINC000507523021 1121474596 /nfs/dbraw/zinc/47/45/96/1121474596.db2.gz APWQVUFRYDFZJE-UHFFFAOYSA-N 0 1 291.416 3.576 20 0 CHADMN COc1cccc(Nc2noc(C(C)(C)C)n2)c1Cl ZINC001175893609 1121479055 /nfs/dbraw/zinc/47/90/55/1121479055.db2.gz HLGLWYNXHRAMLB-UHFFFAOYSA-N 0 1 281.743 3.773 20 0 CHADMN C[C@@H]1CN(C)[C@@H](C)CN1Cc1csc(Cl)c1Cl ZINC000432922647 1121481482 /nfs/dbraw/zinc/48/14/82/1121481482.db2.gz AWEMYSRNHLFOLO-DTWKUNHWSA-N 0 1 293.263 3.579 20 0 CHADMN FC(F)(F)c1cccc([C@@H]2CCN(Cc3cocn3)C2)c1 ZINC000432916248 1121481509 /nfs/dbraw/zinc/48/15/09/1121481509.db2.gz HAOZEWZPHWIJNT-GFCCVEGCSA-N 0 1 296.292 3.683 20 0 CHADMN COc1cc(CN2CCC[C@@H](C)[C@@H]2C)cc(Cl)c1OC ZINC000512583538 1121483435 /nfs/dbraw/zinc/48/34/35/1121483435.db2.gz SWULXMOWGSXJBM-NEPJUHHUSA-N 0 1 297.826 3.978 20 0 CHADMN CO[C@@H](CC(C)C)CN1CCc2[nH]c3ccccc3c2C1 ZINC000419217034 1121489885 /nfs/dbraw/zinc/48/98/85/1121489885.db2.gz COATYSMWRRONIZ-AWEZNQCLSA-N 0 1 286.419 3.587 20 0 CHADMN CC(=O)c1cccc(CN2CCCC(F)(F)CC2)c1 ZINC000625773460 1121490792 /nfs/dbraw/zinc/49/07/92/1121490792.db2.gz WMMPPVABWPZHQH-UHFFFAOYSA-N 0 1 267.319 3.510 20 0 CHADMN COCC[C@@H]1CCCC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000512609587 1121491733 /nfs/dbraw/zinc/49/17/33/1121491733.db2.gz NSHUGXDNEMWRTI-ZDUSSCGKSA-N 0 1 297.826 3.684 20 0 CHADMN Cc1ccc(CNCc2cc(C3CC3)nn2C)cc1Cl ZINC000922948358 1121496389 /nfs/dbraw/zinc/49/63/89/1121496389.db2.gz OYDWORDJMDIIQB-UHFFFAOYSA-N 0 1 289.810 3.549 20 0 CHADMN Cc1ncc(CNC/C=C/c2cc(C)c(C)cc2C)o1 ZINC000631156774 1128988400 /nfs/dbraw/zinc/98/84/00/1128988400.db2.gz DCWKVYYDQLQQRX-AATRIKPKSA-N 0 1 270.376 3.711 20 0 CHADMN CCc1onc(C)c1CNCc1cccc(C2CC2)c1 ZINC000922983285 1121503897 /nfs/dbraw/zinc/50/38/97/1121503897.db2.gz IONUBSPCTAQVNA-UHFFFAOYSA-N 0 1 270.376 3.713 20 0 CHADMN Cc1scc(CN[C@@H](c2ccccc2F)[C@H](C)O)c1C ZINC000631167686 1128988661 /nfs/dbraw/zinc/98/86/61/1128988661.db2.gz QBBYQTMFIYVMKG-MEDUHNTESA-N 0 1 293.407 3.716 20 0 CHADMN CCCc1nc(CN2CCC[C@H](CSC)C2)cs1 ZINC000429289506 1121511861 /nfs/dbraw/zinc/51/18/61/1121511861.db2.gz QLKFAWLQGNZRHV-LBPRGKRZSA-N 0 1 284.494 3.671 20 0 CHADMN CC(C)(C)c1csc(CNC2([C@@H]3CCCCO3)CC2)n1 ZINC000923027744 1121511985 /nfs/dbraw/zinc/51/19/85/1121511985.db2.gz IJHWNVNCWQGWTR-ZDUSSCGKSA-N 0 1 294.464 3.632 20 0 CHADMN CCCc1nc(CN2CCC[C@@H](CSC)C2)cs1 ZINC000429289505 1121512009 /nfs/dbraw/zinc/51/20/09/1121512009.db2.gz QLKFAWLQGNZRHV-GFCCVEGCSA-N 0 1 284.494 3.671 20 0 CHADMN CC[C@H](CN(Cc1cccc(C)c1)Cc1ccccn1)OC ZINC000419226624 1121512713 /nfs/dbraw/zinc/51/27/13/1121512713.db2.gz RDYSBFMIDIHEEM-LJQANCHMSA-N 0 1 298.430 3.817 20 0 CHADMN Cc1cc(Nc2ccc3nn[nH]c3c2)c2ccsc2n1 ZINC001176002630 1121518136 /nfs/dbraw/zinc/51/81/36/1121518136.db2.gz ZZAOYQXGDMKOLX-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1cc(Nc2ccc3n[nH]nc3c2)c2ccsc2n1 ZINC001176002630 1121518139 /nfs/dbraw/zinc/51/81/39/1121518139.db2.gz ZZAOYQXGDMKOLX-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1cc(Nc2ccc3nn[nH]c3c2)ccc1Cl ZINC001176002219 1121519129 /nfs/dbraw/zinc/51/91/29/1121519129.db2.gz IVXMHGLHBPRKHZ-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1cc(Nc2ccc3n[nH]nc3c2)ccc1Cl ZINC001176002219 1121519133 /nfs/dbraw/zinc/51/91/33/1121519133.db2.gz IVXMHGLHBPRKHZ-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN COc1cnccc1[C@H](C)NCc1ccc(C)c(C)c1 ZINC000429309059 1121519580 /nfs/dbraw/zinc/51/95/80/1121519580.db2.gz MKYJKIIAKHAKNS-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN Fc1ccc(Cl)c(F)c1Nc1ccc2nn[nH]c2c1 ZINC001176004013 1121520460 /nfs/dbraw/zinc/52/04/60/1121520460.db2.gz LRVIPFVDVWBLHC-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN Fc1ccc(Cl)c(F)c1Nc1ccc2n[nH]nc2c1 ZINC001176004013 1121520466 /nfs/dbraw/zinc/52/04/66/1121520466.db2.gz LRVIPFVDVWBLHC-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN CCN(CC)c1ccc(Nc2ccc3nn[nH]c3c2)cc1 ZINC001176006254 1121520893 /nfs/dbraw/zinc/52/08/93/1121520893.db2.gz YYRCLTFDDJFRME-UHFFFAOYSA-N 0 1 281.363 3.548 20 0 CHADMN Fc1c(Cl)cc(Nc2ncc[nH]2)c(F)c1Cl ZINC001176084951 1121534895 /nfs/dbraw/zinc/53/48/95/1121534895.db2.gz YBRUGLBQJXOUJJ-UHFFFAOYSA-N 0 1 264.062 3.738 20 0 CHADMN Clc1ccc2cccnc2c1Nc1ccc2nn[nH]c2c1 ZINC001176005417 1121520928 /nfs/dbraw/zinc/52/09/28/1121520928.db2.gz YUHWEBDQBPKVAH-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1ccc2cccnc2c1Nc1ccc2n[nH]nc2c1 ZINC001176005417 1121520932 /nfs/dbraw/zinc/52/09/32/1121520932.db2.gz YUHWEBDQBPKVAH-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN CC(C)Oc1cc(F)ccc1Nc1ccc2nn[nH]c2c1 ZINC001176004053 1121521494 /nfs/dbraw/zinc/52/14/94/1121521494.db2.gz ZBCHKQDDSGGIHZ-UHFFFAOYSA-N 0 1 286.310 3.628 20 0 CHADMN CC(C)Oc1cc(F)ccc1Nc1ccc2n[nH]nc2c1 ZINC001176004053 1121521498 /nfs/dbraw/zinc/52/14/98/1121521498.db2.gz ZBCHKQDDSGGIHZ-UHFFFAOYSA-N 0 1 286.310 3.628 20 0 CHADMN Nc1cc(Cl)cc(Cl)c1Nc1ccc2nn[nH]c2c1 ZINC001176003365 1121522792 /nfs/dbraw/zinc/52/27/92/1121522792.db2.gz BGGMPNXCAYMMFU-UHFFFAOYSA-N 0 1 294.145 3.591 20 0 CHADMN Nc1cc(Cl)cc(Cl)c1Nc1ccc2n[nH]nc2c1 ZINC001176003365 1121522796 /nfs/dbraw/zinc/52/27/96/1121522796.db2.gz BGGMPNXCAYMMFU-UHFFFAOYSA-N 0 1 294.145 3.591 20 0 CHADMN Cc1nn(C)c(Cl)c1CN1CC2(CC=CC2)[C@H]1C(C)C ZINC000843431336 1121523243 /nfs/dbraw/zinc/52/32/43/1121523243.db2.gz BVADOAZJHYXHQF-CQSZACIVSA-N 0 1 293.842 3.559 20 0 CHADMN C[C@H](Cc1ccsc1)NCc1nc2cc(F)ccc2o1 ZINC000634955183 1121525040 /nfs/dbraw/zinc/52/50/40/1121525040.db2.gz AEYOYUGGXSUABN-SNVBAGLBSA-N 0 1 290.363 3.749 20 0 CHADMN C[C@@H]1CC[C@@H](N(C)Cc2cc(O)ccc2Br)C1 ZINC000433041243 1121530566 /nfs/dbraw/zinc/53/05/66/1121530566.db2.gz BUKVBQZAIOZGHP-ZYHUDNBSSA-N 0 1 298.224 3.775 20 0 CHADMN COc1ccsc1CN1CCc2cccc(C)c2C1 ZINC000433047014 1121532041 /nfs/dbraw/zinc/53/20/41/1121532041.db2.gz IZCRNKJSSCXZFB-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN C[C@H](NC[C@@H]1CCC2(CCC2)O1)c1c(F)cccc1F ZINC000711470609 1121537480 /nfs/dbraw/zinc/53/74/80/1121537480.db2.gz BHCPVSKLZAPTKI-RYUDHWBXSA-N 0 1 281.346 3.717 20 0 CHADMN CC(C)c1cnc(CN(C)[C@H]2CC[C@H](C)C2)s1 ZINC000433052125 1121539654 /nfs/dbraw/zinc/53/96/54/1121539654.db2.gz KYBIPNGLFKKWGW-RYUDHWBXSA-N 0 1 252.427 3.887 20 0 CHADMN Cc1cccn2c(CN3CCc4cccc(C)c4C3)cnc12 ZINC000433053194 1121540032 /nfs/dbraw/zinc/54/00/32/1121540032.db2.gz PHRUHLUVJCWZQJ-UHFFFAOYSA-N 0 1 291.398 3.509 20 0 CHADMN C[C@@H]1C[C@@H](NCc2csc(-c3ccsc3)n2)[C@H](C)O1 ZINC000631220389 1128992408 /nfs/dbraw/zinc/99/24/08/1128992408.db2.gz SFXVXBBOXMINCR-GBIKHYSHSA-N 0 1 294.445 3.527 20 0 CHADMN COc1ccc(CN(C)Cc2occc2C)cc1Cl ZINC000429361391 1121541954 /nfs/dbraw/zinc/54/19/54/1121541954.db2.gz KIDNGHPHAJKTFV-UHFFFAOYSA-N 0 1 279.767 3.882 20 0 CHADMN COc1cccc2[nH]c(Nc3cc(OC)c(C)cn3)cc21 ZINC001176062344 1121544145 /nfs/dbraw/zinc/54/41/45/1121544145.db2.gz UMELFZVSXPVGIQ-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN CCc1noc([C@@H](C)N2CCC[C@H](c3ccccc3)C2)n1 ZINC000433066232 1121547073 /nfs/dbraw/zinc/54/70/73/1121547073.db2.gz IOFZGDCWQICFAN-HIFRSBDPSA-N 0 1 285.391 3.573 20 0 CHADMN CCC(CC)Sc1nc(-c2ccccc2F)n[nH]1 ZINC000543641822 1121548765 /nfs/dbraw/zinc/54/87/65/1121548765.db2.gz KXENVMOEFCUYGS-UHFFFAOYSA-N 0 1 265.357 3.892 20 0 CHADMN CCCN(Cc1nc(Br)cs1)[C@H](C)CC ZINC001137773530 1121551550 /nfs/dbraw/zinc/55/15/50/1121551550.db2.gz BSECUALLQKLKMX-SECBINFHSA-N 0 1 291.258 3.916 20 0 CHADMN C[C@H](F)CCN1CCn2cccc2[C@H]1c1ccccc1 ZINC000509380513 1121560533 /nfs/dbraw/zinc/56/05/33/1121560533.db2.gz UAMDLRPDWLIWMZ-WMLDXEAASA-N 0 1 272.367 3.641 20 0 CHADMN Cc1noc(C)c1Nc1ccncc1Oc1ccccc1 ZINC001176177656 1121562829 /nfs/dbraw/zinc/56/28/29/1121562829.db2.gz UHBSLKUXWNWEQV-UHFFFAOYSA-N 0 1 281.315 3.644 20 0 CHADMN Cc1noc(C)c1Nc1cc(-c2ccc(F)cc2)no1 ZINC001176179007 1121564767 /nfs/dbraw/zinc/56/47/67/1121564767.db2.gz NAQWNNKHRNYWEF-UHFFFAOYSA-N 0 1 273.267 3.829 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCCNCc1cccc(O)c1Cl ZINC000645145928 1121566875 /nfs/dbraw/zinc/56/68/75/1121566875.db2.gz IHYDFJYDOASSGR-DOMZBBRYSA-N 0 1 297.826 3.731 20 0 CHADMN Clc1cc(NCc2cnc[nH]2)ccc1N1CCCCC1 ZINC000894120157 1121567582 /nfs/dbraw/zinc/56/75/82/1121567582.db2.gz KXFRSWVVIAYHEM-UHFFFAOYSA-N 0 1 290.798 3.666 20 0 CHADMN C[C@H](NCc1ccc(Cl)cc1)c1cncc(F)c1 ZINC000152930587 1121570550 /nfs/dbraw/zinc/57/05/50/1121570550.db2.gz GCWUXZAETUSCDI-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN CC(C)Oc1ccc(Nc2ccncc2)c(Cl)c1 ZINC001176156219 1121571514 /nfs/dbraw/zinc/57/15/14/1121571514.db2.gz OSAQQACQZHTOJR-UHFFFAOYSA-N 0 1 262.740 3.688 20 0 CHADMN CCC(C)(C)CN[C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000429418820 1121571971 /nfs/dbraw/zinc/57/19/71/1121571971.db2.gz RKHFYTPILRXIPF-INIZCTEOSA-N 0 1 289.398 3.674 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)N1CCO[C@@H](CCF)C1 ZINC000626002836 1121572441 /nfs/dbraw/zinc/57/24/41/1121572441.db2.gz VPJFHSFPSPMQQV-KDOFPFPSSA-N 0 1 287.378 3.961 20 0 CHADMN Cc1cccc2c1nc(N)n2/C=C/Cc1ccccc1 ZINC001176215212 1121575678 /nfs/dbraw/zinc/57/56/78/1121575678.db2.gz BCIWRCIDEFNHTB-WUXMJOGZSA-N 0 1 263.344 3.640 20 0 CHADMN CC1(C)C[C@@H](N2CCc3cccc(C(F)(F)F)c3C2)CO1 ZINC000626009152 1121575700 /nfs/dbraw/zinc/57/57/00/1121575700.db2.gz ZNCSEGSQQNBOSU-GFCCVEGCSA-N 0 1 299.336 3.631 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC[C@@H]2CCC[C@H](C)C2)C1 ZINC000923470292 1121575812 /nfs/dbraw/zinc/57/58/12/1121575812.db2.gz LSJBIEVJTUTDSZ-ZOBUZTSGSA-N 0 1 281.440 3.780 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000923469503 1121577161 /nfs/dbraw/zinc/57/71/61/1121577161.db2.gz KPVBKRCELLOVBG-GDBMZVCRSA-N 0 1 269.429 3.780 20 0 CHADMN COc1cc([C@H](C)NCc2ccccc2F)ccc1F ZINC000213415370 1121577337 /nfs/dbraw/zinc/57/73/37/1121577337.db2.gz HMCLURJHCXPDBF-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN CC[C@@H]1c2ccsc2CCN1Cc1cccc(O)c1 ZINC000509408650 1121578825 /nfs/dbraw/zinc/57/88/25/1121578825.db2.gz SQNHIQHIRIHTQJ-OAHLLOKOSA-N 0 1 273.401 3.963 20 0 CHADMN CCCc1nc(CN2CC[C@@H](CC(C)C)C2)cs1 ZINC000466730427 1121581590 /nfs/dbraw/zinc/58/15/90/1121581590.db2.gz FICXXCAOABTBHI-ZDUSSCGKSA-N 0 1 266.454 3.964 20 0 CHADMN COCC[N@@H+](CC=C(C)C)Cc1ccc(C)c(C)c1 ZINC001176200380 1121586225 /nfs/dbraw/zinc/58/62/25/1121586225.db2.gz AEQBMJHIQPDRTO-UHFFFAOYSA-N 0 1 261.409 3.718 20 0 CHADMN Cc1cccc(NC(=O)CN2CC[C@@H](CC(C)C)C2)c1C ZINC000466736190 1121588623 /nfs/dbraw/zinc/58/86/23/1121588623.db2.gz UMFFJALMFNDZOZ-INIZCTEOSA-N 0 1 288.435 3.610 20 0 CHADMN C[C@@H](N[C@@H](CO)CC(F)F)c1cccc(Cl)c1Cl ZINC000429455200 1121588802 /nfs/dbraw/zinc/58/88/02/1121588802.db2.gz PLNYPBQCQLXREK-HTQZYQBOSA-N 0 1 298.160 3.660 20 0 CHADMN CC(C)(O)C(C)(C)CNc1ccnc2cc(F)ccc21 ZINC000450896181 1121594564 /nfs/dbraw/zinc/59/45/64/1121594564.db2.gz LSMHKGTWMKPYAG-UHFFFAOYSA-N 0 1 276.355 3.583 20 0 CHADMN Cc1cc(CN2CC[C@@H](C3CCCCC3)C2)ns1 ZINC001249589071 1121599443 /nfs/dbraw/zinc/59/94/43/1121599443.db2.gz RKZHUEBHUSFSBM-CQSZACIVSA-N 0 1 264.438 3.854 20 0 CHADMN CC[C@H](NCCOc1cccc(Cl)c1)c1nccs1 ZINC000411514989 1121600327 /nfs/dbraw/zinc/60/03/27/1121600327.db2.gz HCSZBFDOLFJGAO-ZDUSSCGKSA-N 0 1 296.823 3.916 20 0 CHADMN COc1cc2c(cc1CNCc1cccc(C)c1)O[C@@H](C)C2 ZINC000074230371 1121604505 /nfs/dbraw/zinc/60/45/05/1121604505.db2.gz AUOJEBCBYASUDF-AWEZNQCLSA-N 0 1 297.398 3.617 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000221394872 1121605644 /nfs/dbraw/zinc/60/56/44/1121605644.db2.gz SKUPWHDYUGXPGC-GJZGRUSLSA-N 0 1 269.429 3.780 20 0 CHADMN CCCOc1ccc(CNCc2ccc(C)o2)cc1OC ZINC000075772587 1121607360 /nfs/dbraw/zinc/60/73/60/1121607360.db2.gz MSJGAWFZHKBUNA-UHFFFAOYSA-N 0 1 289.375 3.675 20 0 CHADMN Cc1nc2c(n1CCCN(C)c1ccccc1)CCCC2 ZINC000664048261 1121607328 /nfs/dbraw/zinc/60/73/28/1121607328.db2.gz FCKQHWKIPJYBKP-UHFFFAOYSA-N 0 1 283.419 3.597 20 0 CHADMN Cc1ccc(CNCc2ccccc2COC(C)C)o1 ZINC000078357852 1121611931 /nfs/dbraw/zinc/61/19/31/1121611931.db2.gz IURFENSLPJZZBQ-UHFFFAOYSA-N 0 1 273.376 3.803 20 0 CHADMN COc1ccccc1[C@H](C)NCc1scnc1C1CC1 ZINC000486943560 1121616159 /nfs/dbraw/zinc/61/61/59/1121616159.db2.gz VMEGMTUSQNKZDR-NSHDSACASA-N 0 1 288.416 3.880 20 0 CHADMN Fc1ccc(CNCc2scnc2C2CC2)cc1F ZINC000486964190 1121616200 /nfs/dbraw/zinc/61/62/00/1121616200.db2.gz HFBUJUAXOGIMFT-UHFFFAOYSA-N 0 1 280.343 3.589 20 0 CHADMN c1nc(C2CC2)c(CNCc2cc3ccccc3[nH]2)s1 ZINC000486974635 1121617182 /nfs/dbraw/zinc/61/71/82/1121617182.db2.gz SFRILCBLJWVWBT-UHFFFAOYSA-N 0 1 283.400 3.792 20 0 CHADMN Cc1cc([C@@H]2CCC[N@H+]2C/C=C\c2ccc(F)cc2)on1 ZINC000509809782 1121618502 /nfs/dbraw/zinc/61/85/02/1121618502.db2.gz FRVPZUDGYZCUQY-OUMXJLHTSA-N 0 1 286.350 3.972 20 0 CHADMN Cc1cc([C@@H]2CCCN2C/C=C\c2ccc(F)cc2)on1 ZINC000509809782 1121618505 /nfs/dbraw/zinc/61/85/05/1121618505.db2.gz FRVPZUDGYZCUQY-OUMXJLHTSA-N 0 1 286.350 3.972 20 0 CHADMN Fc1cccc(C2(NCc3scnc3C3CC3)CC2)c1 ZINC000487309910 1121619708 /nfs/dbraw/zinc/61/97/08/1121619708.db2.gz CVWZPROOOCILDT-UHFFFAOYSA-N 0 1 288.391 3.939 20 0 CHADMN CCC(C)(C)NC(=O)CN(C)Cc1cccc2ccccc21 ZINC000051992879 1121625855 /nfs/dbraw/zinc/62/58/55/1121625855.db2.gz LSZDBKDMXCHHMH-UHFFFAOYSA-N 0 1 298.430 3.576 20 0 CHADMN N#C[C@@H](C(=O)C[C@H]1C=CCCC1)c1cnc2ccccc2n1 ZINC000190911600 1121626059 /nfs/dbraw/zinc/62/60/59/1121626059.db2.gz YYBRFEZPISUGQQ-UONOGXRCSA-N 0 1 291.354 3.552 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1N[C@H]1CCO[C@@H]1C ZINC000512874690 1121629716 /nfs/dbraw/zinc/62/97/16/1121629716.db2.gz RPHZFURWFNZJND-QAPCUYQASA-N 0 1 288.435 3.965 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)[C@@H]3CC=CCC3)c2C1 ZINC000158284664 1121631297 /nfs/dbraw/zinc/63/12/97/1121631297.db2.gz QFFBOJPYZVIKHF-OAHLLOKOSA-N 0 1 298.430 3.953 20 0 CHADMN C[C@@H]1CC2(CCC2)CN1Cc1nc(C2CC2)cs1 ZINC000433262515 1121631834 /nfs/dbraw/zinc/63/18/34/1121631834.db2.gz QXNYBORMJJHENU-LLVKDONJSA-N 0 1 262.422 3.785 20 0 CHADMN CCc1ccc(CN2CCC(=O)[C@H]3CCCC[C@H]32)cc1 ZINC001204173847 1121640956 /nfs/dbraw/zinc/64/09/56/1121640956.db2.gz KPTOHASPQSBJOJ-DLBZAZTESA-N 0 1 271.404 3.583 20 0 CHADMN COC(=O)c1coc(CN[C@@H](CC2CC2)c2ccccc2)c1 ZINC000611395343 1121643978 /nfs/dbraw/zinc/64/39/78/1121643978.db2.gz GQRBKRTYNRYLEA-KRWDZBQOSA-N 0 1 299.370 3.697 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1nc2c(s1)CCC2 ZINC000611416804 1121646089 /nfs/dbraw/zinc/64/60/89/1121646089.db2.gz WPBIZPVJJKADPB-LLVKDONJSA-N 0 1 284.494 3.595 20 0 CHADMN FC(F)(F)c1cnc(CNC[C@H]2CCCCS2)s1 ZINC000433321115 1121646900 /nfs/dbraw/zinc/64/69/00/1121646900.db2.gz MWRQOJONMSCALU-MRVPVSSYSA-N 0 1 296.383 3.537 20 0 CHADMN CCc1ccc(CNCc2ccc(-c3cc[nH]n3)o2)s1 ZINC000433320578 1121647248 /nfs/dbraw/zinc/64/72/48/1121647248.db2.gz LUICGTDBRIWZIW-UHFFFAOYSA-N 0 1 287.388 3.583 20 0 CHADMN CCc1ccc(C)[nH+]c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176582963 1121647459 /nfs/dbraw/zinc/64/74/59/1121647459.db2.gz SCUMAHWWFAJWLU-UHFFFAOYSA-N 0 1 296.370 3.812 20 0 CHADMN Cc1cc(-c2nnc(CN(C(C)C)C3CCC3)o2)c(C)o1 ZINC000162009441 1121660114 /nfs/dbraw/zinc/66/01/14/1121660114.db2.gz JANOIQLHGIANNX-UHFFFAOYSA-N 0 1 289.379 3.709 20 0 CHADMN Cc1nnc(CN(C)[C@@H]2CCC[C@H]2C(C)(C)C)n1C1CC1 ZINC000419331097 1121662899 /nfs/dbraw/zinc/66/28/99/1121662899.db2.gz IXSVTZNQFIELSD-HUUCEWRRSA-N 0 1 290.455 3.568 20 0 CHADMN CC(C)Oc1ccc(Cl)cc1Nc1nccn1C ZINC001176643759 1121667783 /nfs/dbraw/zinc/66/77/83/1121667783.db2.gz GDMIMCALKCDQFW-UHFFFAOYSA-N 0 1 265.744 3.604 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000162622395 1121668194 /nfs/dbraw/zinc/66/81/94/1121668194.db2.gz WHHCQGKSFOPQOV-CYBMUJFWSA-N 0 1 299.418 3.683 20 0 CHADMN c1ncc(CN2CCCC[C@H]2c2ccccc2)s1 ZINC000273865197 1121680798 /nfs/dbraw/zinc/68/07/98/1121680798.db2.gz NFBUGNPTGFYWOA-HNNXBMFYSA-N 0 1 258.390 3.870 20 0 CHADMN CCO[C@H]1CCN(Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC001176728115 1121681995 /nfs/dbraw/zinc/68/19/95/1121681995.db2.gz NTEJLHGNEWNFIT-AWEZNQCLSA-N 0 1 297.826 3.738 20 0 CHADMN CCc1ccccc1NC(=O)[C@H](C)N1CCC(CC)CC1 ZINC000052280077 1121682119 /nfs/dbraw/zinc/68/21/19/1121682119.db2.gz BYYRLJJFFMBWKD-AWEZNQCLSA-N 0 1 288.435 3.698 20 0 CHADMN Cc1cc(CN(C)CCCOc2ccc(Cl)cc2)on1 ZINC000052451125 1121688355 /nfs/dbraw/zinc/68/83/55/1121688355.db2.gz XPQQVYCNELMTMC-UHFFFAOYSA-N 0 1 294.782 3.537 20 0 CHADMN COC1CC(CCNc2ccnc3cc(F)ccc32)C1 ZINC000664142766 1121693812 /nfs/dbraw/zinc/69/38/12/1121693812.db2.gz KILJWIHHZJBQCX-UHFFFAOYSA-N 0 1 274.339 3.601 20 0 CHADMN C[C@@H](NCc1nccc(Cl)c1Cl)C1(C)CC1 ZINC001176767313 1121694483 /nfs/dbraw/zinc/69/44/83/1121694483.db2.gz FJEVBDNLUJFVMJ-MRVPVSSYSA-N 0 1 259.180 3.667 20 0 CHADMN c1ccc2oc(CN3CCSC[C@H]3C3CCC3)nc2c1 ZINC000419364332 1121699602 /nfs/dbraw/zinc/69/96/02/1121699602.db2.gz PXDUWCQOOLYLTC-AWEZNQCLSA-N 0 1 288.416 3.545 20 0 CHADMN C[C@H](c1ccccc1)n1[nH]c(C2CCCCC2)cc1=O ZINC001119002529 1121702162 /nfs/dbraw/zinc/70/21/62/1121702162.db2.gz QTBIQKJHUHSEPE-CYBMUJFWSA-N 0 1 270.376 3.916 20 0 CHADMN COc1cccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C)c1Cl ZINC001237194796 1129003682 /nfs/dbraw/zinc/00/36/82/1129003682.db2.gz YBUILAXEZNBJSN-NEPJUHHUSA-N 0 1 267.800 3.969 20 0 CHADMN Cc1nn(-c2ccc(C)cc2)cc1CNCc1cccs1 ZINC001177065689 1121708939 /nfs/dbraw/zinc/70/89/39/1121708939.db2.gz DLNGANJPFSKZJT-UHFFFAOYSA-N 0 1 297.427 3.840 20 0 CHADMN C[C@H](N[C@H]1CCCC(C)(C)CC1)c1csnn1 ZINC000398336004 1121720107 /nfs/dbraw/zinc/72/01/07/1121720107.db2.gz PDEYBGFRXDOXRU-QWRGUYRKSA-N 0 1 253.415 3.548 20 0 CHADMN c1ncc(CNc2ccccc2COCc2ccccc2)[nH]1 ZINC001177420402 1121728586 /nfs/dbraw/zinc/72/85/86/1121728586.db2.gz AWNYNRIJZSVRSR-UHFFFAOYSA-N 0 1 293.370 3.739 20 0 CHADMN Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@](C)(C(=O)[O-])C2)c(C)c1 ZINC000227830010 1121730955 /nfs/dbraw/zinc/73/09/55/1121730955.db2.gz KQAFVGULRHTTEJ-YJBOKZPZSA-N 0 1 289.419 3.860 20 0 CHADMN C[C@@]1(c2ccc(F)cc2)CCN(Cc2nccn2C2CC2)C1 ZINC000894198102 1121731684 /nfs/dbraw/zinc/73/16/84/1121731684.db2.gz UQZHQXFPTWFENE-GOSISDBHSA-N 0 1 299.393 3.521 20 0 CHADMN CC(=O)c1ccc(CN2CC[C@@](C)(C(F)(F)F)C2)cc1 ZINC001119269216 1121731772 /nfs/dbraw/zinc/73/17/72/1121731772.db2.gz UPWJJIVOOXUGKM-CQSZACIVSA-N 0 1 285.309 3.664 20 0 CHADMN C[C@H](c1nc(-c2ccccc2)no1)N1CCC(C)CC1 ZINC000052635677 1121733540 /nfs/dbraw/zinc/73/35/40/1121733540.db2.gz JGDYMNOZFOFYJC-CYBMUJFWSA-N 0 1 271.364 3.530 20 0 CHADMN C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[C@@H](C)C1 ZINC000052635187 1121734327 /nfs/dbraw/zinc/73/43/27/1121734327.db2.gz HWFMUHCTDIGDRO-OLZOCXBDSA-N 0 1 271.364 3.530 20 0 CHADMN Cc1cccc2nc(NC(=O)[C@H]3C[C@@H]3c3cccs3)[nH]c21 ZINC001177531098 1121736243 /nfs/dbraw/zinc/73/62/43/1121736243.db2.gz SRJYFNFEDVHNDS-QWRGUYRKSA-N 0 1 297.383 3.675 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H]3C[C@H]3c3cccs3)ccc12 ZINC001177547660 1121738903 /nfs/dbraw/zinc/73/89/03/1121738903.db2.gz ZYLDOPHHEVIJSY-OLZOCXBDSA-N 0 1 297.383 3.675 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H](C)CC(C)C ZINC000729080774 1121748276 /nfs/dbraw/zinc/74/82/76/1121748276.db2.gz SBUNHBNNDXDVHL-GFCCVEGCSA-N 0 1 286.375 3.977 20 0 CHADMN CNC(=S)Nc1cc(Cl)ccc1SC(C)C ZINC000729162232 1121761615 /nfs/dbraw/zinc/76/16/15/1121761615.db2.gz JMNRCLACMKGKAR-UHFFFAOYSA-N 0 1 274.842 3.757 20 0 CHADMN Cc1ccccc1[C@H](CO)NCc1cc2cc(F)ccc2o1 ZINC001177972506 1121762408 /nfs/dbraw/zinc/76/24/08/1121762408.db2.gz NSEQJGSYCVPCFA-KRWDZBQOSA-N 0 1 299.345 3.704 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN[C@@H]1CCC(F)(F)C1 ZINC001177995494 1121763545 /nfs/dbraw/zinc/76/35/45/1121763545.db2.gz KDFYZOOXSRZEBZ-SNVBAGLBSA-N 0 1 298.358 3.989 20 0 CHADMN C[C@@H](N[C@@H](CC1CCC1)c1ccccc1)c1ncc[nH]1 ZINC000285996739 1121766188 /nfs/dbraw/zinc/76/61/88/1121766188.db2.gz HHDDWYBTOINDPB-CJNGLKHVSA-N 0 1 269.392 3.992 20 0 CHADMN CN1Cc2ccc(NCc3ccc4scnc4c3)cc2C1 ZINC001178094700 1121766810 /nfs/dbraw/zinc/76/68/10/1121766810.db2.gz PDECADULCCKHFH-UHFFFAOYSA-N 0 1 295.411 3.854 20 0 CHADMN Cc1ccccc1[C@@H](N[C@@H](C)c1ncc[nH]1)C1CC1 ZINC000286244495 1121767246 /nfs/dbraw/zinc/76/72/46/1121767246.db2.gz UCZCFLPWRNLHIP-WFASDCNBSA-N 0 1 255.365 3.520 20 0 CHADMN CCc1ccc(NCc2ccnn2-c2ccncc2)cc1C ZINC001178208676 1121772417 /nfs/dbraw/zinc/77/24/17/1121772417.db2.gz QISBPOKYJVCGAJ-UHFFFAOYSA-N 0 1 292.386 3.750 20 0 CHADMN CCN1CCCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000729283957 1121772599 /nfs/dbraw/zinc/77/25/99/1121772599.db2.gz YWXJOQHASADGSQ-MRXNPFEDSA-N 0 1 288.435 3.797 20 0 CHADMN Cc1cccc(NC(=O)CN(Cc2ccccc2)C(C)C)c1 ZINC000028842860 1121777590 /nfs/dbraw/zinc/77/75/90/1121777590.db2.gz XEENLKZRXJBPJY-UHFFFAOYSA-N 0 1 296.414 3.844 20 0 CHADMN CCC[C@H](N[C@H]1CCCc2ncccc21)c1ccccn1 ZINC000631574919 1129008973 /nfs/dbraw/zinc/00/89/73/1129008973.db2.gz GSRMETQNKPMSSQ-WMZOPIPTSA-N 0 1 281.403 3.985 20 0 CHADMN CCOc1cc(-c2nc3cccc(C)c3[nH]2)ccc1OC ZINC000261367433 1121790951 /nfs/dbraw/zinc/79/09/51/1121790951.db2.gz SDVUFEAXBKOTBV-UHFFFAOYSA-N 0 1 282.343 3.946 20 0 CHADMN COc1ccccc1-c1ncc(C[N@H+]2CCCC[C@@H]2C)cn1 ZINC000430014323 1121795905 /nfs/dbraw/zinc/79/59/05/1121795905.db2.gz UZZVVJXKQUOCFI-AWEZNQCLSA-N 0 1 297.402 3.527 20 0 CHADMN Cc1oc(C[N@@H+](C)Cc2cc(Cl)cs2)cc1C(=O)[O-] ZINC001119532053 1121797030 /nfs/dbraw/zinc/79/70/30/1121797030.db2.gz QNOOPRQEUUFDHE-UHFFFAOYSA-N 0 1 299.779 3.633 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001178690060 1121806847 /nfs/dbraw/zinc/80/68/47/1121806847.db2.gz JTEOOLCDGBISON-CJNGLKHVSA-N 0 1 274.408 3.623 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)[C@@H]2CCCCN2C)cc1 ZINC001178690060 1121806859 /nfs/dbraw/zinc/80/68/59/1121806859.db2.gz JTEOOLCDGBISON-CJNGLKHVSA-N 0 1 274.408 3.623 20 0 CHADMN Fc1ccccc1[C@@H]1CCN(Cc2ccnc(Cl)c2)C1 ZINC000730432798 1121810463 /nfs/dbraw/zinc/81/04/63/1121810463.db2.gz SHWWBEOHSQXKBT-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN CC1=CCC[C@@H](C)[C@H]1CNc1ccc2c(n1)CCC2 ZINC001178743055 1121810682 /nfs/dbraw/zinc/81/06/82/1121810682.db2.gz ZTTSUKPKGVRUNZ-HIFRSBDPSA-N 0 1 256.393 3.975 20 0 CHADMN Cc1ccc(F)c(CNc2ccc3c(n2)CCC3)c1 ZINC001178742747 1121810938 /nfs/dbraw/zinc/81/09/38/1121810938.db2.gz WAWBOWOCIMXKQC-UHFFFAOYSA-N 0 1 256.324 3.630 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1CNc1ccc2c(n1)CCC2 ZINC001178743054 1121812186 /nfs/dbraw/zinc/81/21/86/1121812186.db2.gz ZTTSUKPKGVRUNZ-DZGCQCFKSA-N 0 1 256.393 3.975 20 0 CHADMN CC(C)O[C@H]1CCCN(Cc2ccc(Cl)s2)C1 ZINC000649697449 1129011458 /nfs/dbraw/zinc/01/14/58/1129011458.db2.gz IMXFMFFASOLYIR-NSHDSACASA-N 0 1 273.829 3.791 20 0 CHADMN C[C@@H](NCc1cnc(Cl)c(F)c1)c1ccccc1 ZINC001168765189 1121829444 /nfs/dbraw/zinc/82/94/44/1121829444.db2.gz HPLARJXZNFSIRD-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN CCC1(C(=O)N(Cc2cnc[nH]2)Cc2ccccc2)CCC1 ZINC001179024068 1121836539 /nfs/dbraw/zinc/83/65/39/1121836539.db2.gz VNETUPKWHFQUIZ-UHFFFAOYSA-N 0 1 297.402 3.519 20 0 CHADMN Cc1cnc(CNC(C)(C)c2ccc(C(C)C)cc2)cn1 ZINC000730934514 1121836752 /nfs/dbraw/zinc/83/67/52/1121836752.db2.gz WABSHJQEBHIOJA-UHFFFAOYSA-N 0 1 283.419 3.933 20 0 CHADMN Cc1ccc(CC[C@H](C)N[C@H](C)c2csnn2)cc1 ZINC000414297385 1121838935 /nfs/dbraw/zinc/83/89/35/1121838935.db2.gz HKPAHNDDEWXQLZ-QWHCGFSZSA-N 0 1 275.421 3.518 20 0 CHADMN Fc1ccc(C2(N[C@H]3CCCc4ncccc43)CC2)cc1 ZINC000631610133 1129013535 /nfs/dbraw/zinc/01/35/35/1129013535.db2.gz RMZAMASAMQGDFZ-KRWDZBQOSA-N 0 1 282.362 3.877 20 0 CHADMN C[C@H]1C[C@H](NCc2cccc3c2OCCO3)c2ccccc21 ZINC000731451159 1121867563 /nfs/dbraw/zinc/86/75/63/1121867563.db2.gz ZQSZOAPLZTWEHS-GUYCJALGSA-N 0 1 295.382 3.796 20 0 CHADMN c1[nH]nc2cc(NCc3cc4ccccc4[nH]3)ccc12 ZINC001179443947 1121877023 /nfs/dbraw/zinc/87/70/23/1121877023.db2.gz XJLAVLDPJMWRHS-UHFFFAOYSA-N 0 1 262.316 3.656 20 0 CHADMN Clc1cnc(CNc2nc3ccc(Cl)cc3[nH]2)s1 ZINC001179515984 1121882570 /nfs/dbraw/zinc/88/25/70/1121882570.db2.gz NXXIIYUMIUCCCO-UHFFFAOYSA-N 0 1 299.186 3.938 20 0 CHADMN CCC[C@@H](NCc1cnccc1C)c1cc(C)ccn1 ZINC000631633664 1129015965 /nfs/dbraw/zinc/01/59/65/1129015965.db2.gz WVQVJTMYQOESKR-MRXNPFEDSA-N 0 1 269.392 3.724 20 0 CHADMN F[C@@H]1COc2ccccc2[C@H]1N[C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001179578925 1121889519 /nfs/dbraw/zinc/88/95/19/1121889519.db2.gz CWXWQJYMTKCVQY-UYGGMMBNSA-N 0 1 275.367 3.627 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1ccc(C)cc1C ZINC000731891695 1121891233 /nfs/dbraw/zinc/89/12/33/1121891233.db2.gz CFTCZPOSLVYLKP-UHFFFAOYSA-N 0 1 276.424 3.754 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@H](CC(C)C)C2)c1 ZINC000345541232 1121894082 /nfs/dbraw/zinc/89/40/82/1121894082.db2.gz LAIXXUNTFGYJAE-CQSZACIVSA-N 0 1 299.418 3.770 20 0 CHADMN Fc1ccc(CNC[C@@H]2CCCC3(CCC3)O2)c(F)c1F ZINC001179699765 1121900059 /nfs/dbraw/zinc/90/00/59/1121900059.db2.gz IKSZSBHEJCLJOC-LBPRGKRZSA-N 0 1 299.336 3.685 20 0 CHADMN Cc1cc(CN2CC[C@H](C(C)C)C2)ncc1Br ZINC001179973467 1121931949 /nfs/dbraw/zinc/93/19/49/1121931949.db2.gz ANRCTJFRQJFDFL-LBPRGKRZSA-N 0 1 297.240 3.630 20 0 CHADMN Cc1csc([C@@H](C)N[C@@H]2CCO[C@H]2c2ccccc2)n1 ZINC000631653439 1129017470 /nfs/dbraw/zinc/01/74/70/1129017470.db2.gz IJZOABRNPIBRAG-YUELXQCFSA-N 0 1 288.416 3.632 20 0 CHADMN c1coc([C@@H]2CCN(Cn3ccc(-c4cccs4)n3)C2)c1 ZINC000732182401 1121910131 /nfs/dbraw/zinc/91/01/31/1121910131.db2.gz SNFIWJPEODKNJT-CYBMUJFWSA-N 0 1 299.399 3.652 20 0 CHADMN CC[C@@H](C)CN(C)CC(=O)Nc1ccc2ccccc2c1 ZINC000732206191 1121910416 /nfs/dbraw/zinc/91/04/16/1121910416.db2.gz RZUWUMTZTLGLPJ-CQSZACIVSA-N 0 1 284.403 3.756 20 0 CHADMN COc1cncc(CN2CCc3ccccc3[C@H]2C)c1C ZINC001179855587 1121916706 /nfs/dbraw/zinc/91/67/06/1121916706.db2.gz WOKKRTBKRFLZQH-CQSZACIVSA-N 0 1 282.387 3.518 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2csc(C(F)(F)F)c2)C1 ZINC001179898577 1121918473 /nfs/dbraw/zinc/91/84/73/1121918473.db2.gz PZVWUTLROJBCBC-IUCAKERBSA-N 0 1 263.328 3.997 20 0 CHADMN Cc1sccc1CC(=O)Nc1cccc(Cl)c1O ZINC000345855928 1121921097 /nfs/dbraw/zinc/92/10/97/1121921097.db2.gz MMYFYGZHXOFMML-UHFFFAOYSA-N 0 1 281.764 3.597 20 0 CHADMN CN(Cc1nccn1C1CC1)C1CCCCCCC1 ZINC001179859750 1121921216 /nfs/dbraw/zinc/92/12/16/1121921216.db2.gz UKIIOBMMQBMMMZ-UHFFFAOYSA-N 0 1 261.413 3.763 20 0 CHADMN Fc1ccc([C@H](N[C@@H]2CCCC23CC3)c2ncc[nH]2)cc1 ZINC000631663010 1129018935 /nfs/dbraw/zinc/01/89/35/1129018935.db2.gz HKTYPORYFMUDEY-CABCVRRESA-N 0 1 285.366 3.561 20 0 CHADMN CCC[C@@H](C)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000501009151 1121936829 /nfs/dbraw/zinc/93/68/29/1121936829.db2.gz XFPSCVZMCNAQPG-CJNGLKHVSA-N 0 1 265.372 3.696 20 0 CHADMN NC1(c2noc(-c3ccc(F)c4ccccc34)n2)CCCC1 ZINC000262562271 1129019610 /nfs/dbraw/zinc/01/96/10/1129019610.db2.gz VSYFERPAMMQXAX-UHFFFAOYSA-N 0 1 297.333 3.757 20 0 CHADMN C[C@@H]1COC[C@H](c2ccccc2)N1[C@H]1C=CCCC1 ZINC000501067427 1121950355 /nfs/dbraw/zinc/95/03/55/1121950355.db2.gz IVLGUXPWRLTKPL-HYVNUMGLSA-N 0 1 257.377 3.557 20 0 CHADMN C1=C(CCSCc2n[nH]c(C3CC3)n2)CCCC1 ZINC000419535768 1121953417 /nfs/dbraw/zinc/95/34/17/1121953417.db2.gz AATGZPFZUGUVHK-UHFFFAOYSA-N 0 1 263.410 3.806 20 0 CHADMN C[C@@H](NC[C@]1(O)CCCC(C)(C)CC1)c1cscn1 ZINC000631679601 1129021209 /nfs/dbraw/zinc/02/12/09/1129021209.db2.gz KSTDXXOLJPMMGY-DOMZBBRYSA-N 0 1 282.453 3.515 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CNc1ccc2nc[nH]c2c1 ZINC000419730267 1121964487 /nfs/dbraw/zinc/96/44/87/1121964487.db2.gz PCHVBOJRHVXVLQ-UHFFFAOYSA-N 0 1 297.406 3.743 20 0 CHADMN C[C@@H]1CCN(Cc2cn(C3CC3)cn2)[C@@H]2CCCC[C@@H]12 ZINC001180275012 1121966727 /nfs/dbraw/zinc/96/67/27/1121966727.db2.gz DFFPGXYRJOFOAP-XOKHGSTOSA-N 0 1 273.424 3.619 20 0 CHADMN CCN(C/C=C\c1cccc(F)c1)Cc1ccccn1 ZINC001180271285 1121972627 /nfs/dbraw/zinc/97/26/27/1121972627.db2.gz GWNBCHOUNZUYSN-VURMDHGXSA-N 0 1 270.351 3.756 20 0 CHADMN COc1ccsc1[C@H](C)N[C@H](C)c1cnc(C)s1 ZINC000631707835 1129022275 /nfs/dbraw/zinc/02/22/75/1129022275.db2.gz KSACPQZWQBGETI-BDAKNGLRSA-N 0 1 282.434 3.933 20 0 CHADMN c1ccc(CCCN=c2nc(-c3ccccc3)[nH]s2)cc1 ZINC000501537218 1121985509 /nfs/dbraw/zinc/98/55/09/1121985509.db2.gz BYGMMYCKRJRBQL-UHFFFAOYSA-N 0 1 295.411 3.672 20 0 CHADMN COc1cncc(CN(C)[C@@H](C)c2ccc(F)cc2)c1C ZINC001180463114 1121993044 /nfs/dbraw/zinc/99/30/44/1121993044.db2.gz ZBPDILAKFRCXEN-ZDUSSCGKSA-N 0 1 288.366 3.731 20 0 CHADMN CN(Cc1cc2cccnc2o1)Cc1cccc(F)c1 ZINC001180497833 1121996140 /nfs/dbraw/zinc/99/61/40/1121996140.db2.gz VTPFCKRLTNXXNK-UHFFFAOYSA-N 0 1 270.307 3.599 20 0 CHADMN C[C@H](NCc1cccc(F)c1F)c1ccccc1N(C)C ZINC000631725948 1129024457 /nfs/dbraw/zinc/02/44/57/1129024457.db2.gz LHRXBQFEEXDOJQ-LBPRGKRZSA-N 0 1 290.357 3.882 20 0 CHADMN C[C@@H](NCc1cccc(F)c1F)c1ccc2c(c1)COC2 ZINC000631726205 1129024644 /nfs/dbraw/zinc/02/46/44/1129024644.db2.gz OZEMBSLNYQFVSC-LLVKDONJSA-N 0 1 289.325 3.846 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](C)C2)c(C)c1 ZINC000501784462 1122008605 /nfs/dbraw/zinc/00/86/05/1122008605.db2.gz GNGGJOUPABXFHH-BPUTZDHNSA-N 0 1 288.435 3.608 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CC[C@@H](C)[C@@H](C)C1 ZINC000501806638 1122009374 /nfs/dbraw/zinc/00/93/74/1122009374.db2.gz SZEXYWOPRDKEIA-OLZOCXBDSA-N 0 1 289.398 3.673 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1CC[C@H](C)[C@H](C)C1 ZINC000501818139 1122012889 /nfs/dbraw/zinc/01/28/89/1122012889.db2.gz VWOFRCMGXBPFKG-NWDGAFQWSA-N 0 1 294.826 3.565 20 0 CHADMN Cc1cc([C@H](C)NCc2cccc3c2CCOC3)oc1C ZINC000631732400 1129025059 /nfs/dbraw/zinc/02/50/59/1129025059.db2.gz IQKGJOTVIAZDAT-ZDUSSCGKSA-N 0 1 285.387 3.820 20 0 CHADMN Cc1cc(CN2CC[C@@H](F)C2)ccc1C(F)(F)F ZINC000414457412 1122015629 /nfs/dbraw/zinc/01/56/29/1122015629.db2.gz KWAOAHCCXKPLNB-LLVKDONJSA-N 0 1 261.262 3.558 20 0 CHADMN CC[C@]1(C)CN(C[C@@H](C)c2cccc(Cl)c2)CCO1 ZINC001180933973 1122023320 /nfs/dbraw/zinc/02/33/20/1122023320.db2.gz DZQQMUOCTNJWME-CZUORRHYSA-N 0 1 281.827 3.944 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3C(C)C)n[nH]2)cc1 ZINC000502057925 1122032403 /nfs/dbraw/zinc/03/24/03/1122032403.db2.gz VEKHXPGNMFVKML-KRWDZBQOSA-N 0 1 297.402 3.646 20 0 CHADMN Cc1cncc([C@H](C)N[C@@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000631736883 1129026398 /nfs/dbraw/zinc/02/63/98/1129026398.db2.gz AMGLVPUZCZNDNQ-RYUDHWBXSA-N 0 1 297.358 3.649 20 0 CHADMN CC[C@@H]1CN(CCCCC(F)(F)F)C[C@@H](CC)O1 ZINC000420960130 1122051490 /nfs/dbraw/zinc/05/14/90/1122051490.db2.gz REGDSGWUJQWIGZ-VXGBXAGGSA-N 0 1 267.335 3.608 20 0 CHADMN CC[C@@H]1CN(Cc2cnc3ccccc3c2)C[C@@H](CC)O1 ZINC000420964975 1122053425 /nfs/dbraw/zinc/05/34/25/1122053425.db2.gz XQRZBCHNBGEXSI-IAGOWNOFSA-N 0 1 284.403 3.624 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cc(F)c(F)c(F)c1 ZINC000631755911 1129028297 /nfs/dbraw/zinc/02/82/97/1129028297.db2.gz GTHBMJFCHJUUTI-VISXPRAWSA-N 0 1 283.215 3.705 20 0 CHADMN Cc1ccc(CN[C@H](CC(F)F)c2ccccc2)nc1 ZINC000420991267 1122056539 /nfs/dbraw/zinc/05/65/39/1122056539.db2.gz ILMKWPGOBBDCIP-OAHLLOKOSA-N 0 1 276.330 3.876 20 0 CHADMN COc1ccc(CN(C(C)C)[C@@H](C)c2ccsc2)nn1 ZINC000421006474 1122060094 /nfs/dbraw/zinc/06/00/94/1122060094.db2.gz KALOHHLFXLGFBA-LBPRGKRZSA-N 0 1 291.420 3.518 20 0 CHADMN CC(C)[C@@H]1C[N@H+](Cc2ccc([O-])c(F)c2F)[C@@H]1C(C)C ZINC001181752726 1122073563 /nfs/dbraw/zinc/07/35/63/1122073563.db2.gz JUCOJSISBMXSHN-BLLLJJGKSA-N 0 1 283.362 3.783 20 0 CHADMN CC(C)[C@@H]1C[N@@H+](Cc2ccc([O-])c(F)c2F)[C@@H]1C(C)C ZINC001181752726 1122073567 /nfs/dbraw/zinc/07/35/67/1122073567.db2.gz JUCOJSISBMXSHN-BLLLJJGKSA-N 0 1 283.362 3.783 20 0 CHADMN c1oc2ccccc2c1CNc1ccc2c(n1)CCC2 ZINC001181828083 1122082479 /nfs/dbraw/zinc/08/24/79/1122082479.db2.gz QOOQVLVADLKILI-UHFFFAOYSA-N 0 1 264.328 3.929 20 0 CHADMN CCC1(CC)C[C@@H]1C(=O)Nc1nc2cccc(C)c2[nH]1 ZINC001181878682 1122087804 /nfs/dbraw/zinc/08/78/04/1122087804.db2.gz MNSHCKNDYPKNTN-LLVKDONJSA-N 0 1 271.364 3.636 20 0 CHADMN CC1=CCC[C@@H](C)[C@H]1CNCc1nccc(C(F)(F)F)n1 ZINC000414509874 1122090119 /nfs/dbraw/zinc/09/01/19/1122090119.db2.gz STBJMJSGCIPQCV-NEPJUHHUSA-N 0 1 299.340 3.577 20 0 CHADMN C[C@H](c1ccccc1)[N@H+]1CCc2cccc(F)c2C1 ZINC000502510123 1122095071 /nfs/dbraw/zinc/09/50/71/1122095071.db2.gz ZHQAVWIMFSZQCM-CYBMUJFWSA-N 0 1 255.336 3.945 20 0 CHADMN C[C@H](c1ccccc1)N1CCc2cccc(F)c2C1 ZINC000502510123 1122095076 /nfs/dbraw/zinc/09/50/76/1122095076.db2.gz ZHQAVWIMFSZQCM-CYBMUJFWSA-N 0 1 255.336 3.945 20 0 CHADMN F[C@@H]1CCCC[C@H]1NCc1cnc(-c2ccccn2)s1 ZINC000414511690 1122098992 /nfs/dbraw/zinc/09/89/92/1122098992.db2.gz LLJQDCMYRJWBLN-CHWSQXEVSA-N 0 1 291.395 3.575 20 0 CHADMN C[C@@H](N[C@@H]1CCCn2nccc21)c1ccc2ccccc2n1 ZINC000631810057 1129031120 /nfs/dbraw/zinc/03/11/20/1129031120.db2.gz VZJDWCVDBDOPEX-CXAGYDPISA-N 0 1 292.386 3.617 20 0 CHADMN Cc1c(Cl)c(CNC[C@@H](C)c2cccc(C)c2)nn1C ZINC000421360555 1122101275 /nfs/dbraw/zinc/10/12/75/1122101275.db2.gz FCCQEEWHQHGRIY-GFCCVEGCSA-N 0 1 291.826 3.584 20 0 CHADMN CCc1ccc(CN2CCC[C@@H](CC(F)(F)F)C2)cn1 ZINC000421360570 1122101397 /nfs/dbraw/zinc/10/13/97/1122101397.db2.gz IZNOYDYNFUNJKP-LBPRGKRZSA-N 0 1 286.341 3.808 20 0 CHADMN CCN1CCCC[C@@H]1C(=O)N[C@H]1CC[C@@H](C(C)(C)C)CC1 ZINC001182002701 1122101969 /nfs/dbraw/zinc/10/19/69/1122101969.db2.gz WVUVYQKSUZAVSR-OWCLPIDISA-N 0 1 294.483 3.582 20 0 CHADMN Cc1csc(CNCCc2c(F)cccc2Cl)n1 ZINC000151990181 1122102206 /nfs/dbraw/zinc/10/22/06/1122102206.db2.gz BADXXBVPVCGCHQ-UHFFFAOYSA-N 0 1 284.787 3.576 20 0 CHADMN CCN1CCCC[C@H]1C(=O)N[C@H]1CC[C@@H](C(C)(C)C)CC1 ZINC001182002702 1122102443 /nfs/dbraw/zinc/10/24/43/1122102443.db2.gz WVUVYQKSUZAVSR-XHSDSOJGSA-N 0 1 294.483 3.582 20 0 CHADMN CC1(C)CN(CCC2CCCCC2)C[C@H](C(F)(F)F)O1 ZINC001181972564 1122103348 /nfs/dbraw/zinc/10/33/48/1122103348.db2.gz RVOBVFGBLXFVIW-CYBMUJFWSA-N 0 1 293.373 3.999 20 0 CHADMN CSC1(CN2CCc3c(Cl)cc(F)cc3C2)CC1 ZINC001182115381 1122110266 /nfs/dbraw/zinc/11/02/66/1122110266.db2.gz HVXNDILCCZZHMJ-UHFFFAOYSA-N 0 1 285.815 3.733 20 0 CHADMN CCOc1cccc(CN2Cc3ccccc3O[C@H](C)C2)c1 ZINC001182125730 1122112321 /nfs/dbraw/zinc/11/23/21/1122112321.db2.gz CRSMKMDNWZNZFJ-OAHLLOKOSA-N 0 1 297.398 3.868 20 0 CHADMN Cn1cc(CN2CCOc3ccccc3C2)c2ccccc21 ZINC001204323265 1122113199 /nfs/dbraw/zinc/11/31/99/1122113199.db2.gz ZZRNPAJCZPQMRD-UHFFFAOYSA-N 0 1 292.382 3.573 20 0 CHADMN Oc1cccc(CN2CC(C3CCCC3)C2)c1Cl ZINC001182228260 1122122066 /nfs/dbraw/zinc/12/20/66/1122122066.db2.gz WMECDBSKHKEBMQ-UHFFFAOYSA-N 0 1 265.784 3.668 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2NCc1nccc2ccccc21 ZINC000774141708 1122129618 /nfs/dbraw/zinc/12/96/18/1122129618.db2.gz KNOSLJHKRZNCFT-INIZCTEOSA-N 0 1 278.355 3.995 20 0 CHADMN CCN(CC)C(=O)CN(C)[C@@H](C)c1cccc2ccccc21 ZINC000620109123 1129034377 /nfs/dbraw/zinc/03/43/77/1129034377.db2.gz XTSOMAXQOKDTSN-HNNXBMFYSA-N 0 1 298.430 3.701 20 0 CHADMN CC(C)[C@H]1N(Cc2cc(F)cc(F)c2)CC12CCOCC2 ZINC000414538397 1122147142 /nfs/dbraw/zinc/14/71/42/1122147142.db2.gz MDWPPRBOMMUHPV-MRXNPFEDSA-N 0 1 295.373 3.602 20 0 CHADMN CCN(Cc1occc1C)Cc1ccc(N2CCCC2)nc1 ZINC000414547961 1122150313 /nfs/dbraw/zinc/15/03/13/1122150313.db2.gz IYOAVIMKFZLXKL-UHFFFAOYSA-N 0 1 299.418 3.605 20 0 CHADMN C[C@@H](CN[C@@H](C)c1csnn1)CC1CCCCC1 ZINC000414555912 1122158432 /nfs/dbraw/zinc/15/84/32/1122158432.db2.gz XUWIIQCDMIAMTN-NEPJUHHUSA-N 0 1 267.442 3.795 20 0 CHADMN C[C@H](NC[C@@H]1C[C@H]1c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000503001707 1122161107 /nfs/dbraw/zinc/16/11/07/1122161107.db2.gz AMLFLDGIUSWLPF-QEJZJMRPSA-N 0 1 299.418 3.821 20 0 CHADMN CCNc1ccccc1CN1C[C@H](CC)O[C@@H](CC)C1 ZINC001182464231 1122166994 /nfs/dbraw/zinc/16/69/94/1122166994.db2.gz YWGJFCWHUGAXFR-HOTGVXAUSA-N 0 1 276.424 3.508 20 0 CHADMN CCc1noc(C)c1CN[C@H](C)c1ccccc1C ZINC000271709896 1122171769 /nfs/dbraw/zinc/17/17/69/1122171769.db2.gz PEJKHTBRPVJMOH-GFCCVEGCSA-N 0 1 258.365 3.705 20 0 CHADMN C[C@H](c1ccco1)N(Cc1ccc2c(c1)ncn2C)C1CC1 ZINC000271735361 1122172365 /nfs/dbraw/zinc/17/23/65/1122172365.db2.gz OLOWQLPYTFGQAL-CYBMUJFWSA-N 0 1 295.386 3.892 20 0 CHADMN CCOc1cccc([C@H](C)NCc2c(C)onc2CC)c1 ZINC000271731152 1122173037 /nfs/dbraw/zinc/17/30/37/1122173037.db2.gz YVSFWUQBENCQAI-LBPRGKRZSA-N 0 1 288.391 3.795 20 0 CHADMN Cc1noc(C)c1CN[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000271751619 1122173401 /nfs/dbraw/zinc/17/34/01/1122173401.db2.gz HPJRRWRNPXGMQU-KRWDZBQOSA-N 0 1 288.366 3.980 20 0 CHADMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(C)nc1Cl ZINC000688554952 1129036375 /nfs/dbraw/zinc/03/63/75/1129036375.db2.gz FLBDPWBDMOMZJY-AAEUAGOBSA-N 0 1 252.789 3.806 20 0 CHADMN C[C@H](CC[N@H+]1C[C@@H](C)OC2(CCC2)C1)c1ccccc1 ZINC001182703518 1122183391 /nfs/dbraw/zinc/18/33/91/1122183391.db2.gz JDBRUGZZYSYWSV-HZPDHXFCSA-N 0 1 273.420 3.824 20 0 CHADMN CO[C@H](c1ccccc1F)[C@H](C)NCc1ccc(C)o1 ZINC000271948716 1122183580 /nfs/dbraw/zinc/18/35/80/1122183580.db2.gz CXKXHVSYTZBADA-LRDDRELGSA-N 0 1 277.339 3.593 20 0 CHADMN Cc1ccc(CN2CCC3(CC3(F)F)CC2)c(F)c1 ZINC001182755487 1122185162 /nfs/dbraw/zinc/18/51/62/1122185162.db2.gz RPHPMGSLMQHKEH-UHFFFAOYSA-N 0 1 269.310 3.755 20 0 CHADMN Cc1ccncc1[C@H](C)NC1(c2cccc(F)c2)CC1 ZINC000272252367 1122195753 /nfs/dbraw/zinc/19/57/53/1122195753.db2.gz ZTDWXCBODOYCAK-ZDUSSCGKSA-N 0 1 270.351 3.869 20 0 CHADMN Cc1ccncc1[C@@H](C)NC1(c2cccc(F)c2)CC1 ZINC000272252365 1122196228 /nfs/dbraw/zinc/19/62/28/1122196228.db2.gz ZTDWXCBODOYCAK-CYBMUJFWSA-N 0 1 270.351 3.869 20 0 CHADMN COCC[C@H](NCc1cccc(C)c1)c1ccc(C)o1 ZINC000272300702 1122196823 /nfs/dbraw/zinc/19/68/23/1122196823.db2.gz NMXFEPFELDAHFT-INIZCTEOSA-N 0 1 273.376 3.764 20 0 CHADMN COc1c(O)cccc1CN(C)[C@@H]1CCc2ccccc21 ZINC000272329359 1122197806 /nfs/dbraw/zinc/19/78/06/1122197806.db2.gz VUWLZPHLFQZWCC-MRXNPFEDSA-N 0 1 283.371 3.520 20 0 CHADMN Cc1ccc(CCN2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1C ZINC001182971224 1122198176 /nfs/dbraw/zinc/19/81/76/1122198176.db2.gz YUQMJYPLKNZIIK-RHSMWYFYSA-N 0 1 297.389 3.590 20 0 CHADMN Cc1ccc(CC2CN(Cc3cnc(F)cc3C)C2)cc1 ZINC001182929538 1122198392 /nfs/dbraw/zinc/19/83/92/1122198392.db2.gz AWWKTNIWOGFCBX-UHFFFAOYSA-N 0 1 284.378 3.512 20 0 CHADMN COCC[C@@H](NCc1ccsc1)c1ccc(C)o1 ZINC000272363282 1122199926 /nfs/dbraw/zinc/19/99/26/1122199926.db2.gz WMEJCYGSPYUQEM-CYBMUJFWSA-N 0 1 265.378 3.517 20 0 CHADMN OCc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000272375501 1122200024 /nfs/dbraw/zinc/20/00/24/1122200024.db2.gz VGBSYCUBWUBHFB-GOSISDBHSA-N 0 1 285.362 3.655 20 0 CHADMN COCC[C@@H](NCc1cccc2[nH]ccc21)c1ccco1 ZINC000272417036 1122200920 /nfs/dbraw/zinc/20/09/20/1122200920.db2.gz CTVNVGUAXUOUGE-MRXNPFEDSA-N 0 1 284.359 3.628 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C[C@@H](C)CC(C)C ZINC000272410583 1122201300 /nfs/dbraw/zinc/20/13/00/1122201300.db2.gz FKWILVOMNNOHEK-QMMMGPOBSA-N 0 1 273.327 3.667 20 0 CHADMN COCC[C@@H](NCc1ccc(C)s1)c1ccco1 ZINC000272423547 1122202583 /nfs/dbraw/zinc/20/25/83/1122202583.db2.gz DQIQMUNYROLMIZ-CYBMUJFWSA-N 0 1 265.378 3.517 20 0 CHADMN CCC[C@H](CNCc1c(Cl)ccnc1Cl)OCC ZINC001183065283 1122204589 /nfs/dbraw/zinc/20/45/89/1122204589.db2.gz KBZTVROUMONOJN-SNVBAGLBSA-N 0 1 291.222 3.683 20 0 CHADMN COCC[C@H](N[C@@H](C)c1cccs1)c1ccco1 ZINC000272582656 1122206347 /nfs/dbraw/zinc/20/63/47/1122206347.db2.gz QQARKGHWXLFPGF-RYUDHWBXSA-N 0 1 265.378 3.770 20 0 CHADMN CCCCCCC(=O)Nc1cc(C(C)=O)ccc1O ZINC000272686651 1122209776 /nfs/dbraw/zinc/20/97/76/1122209776.db2.gz OJUHPIUCYYWXHT-UHFFFAOYSA-N 0 1 263.337 3.504 20 0 CHADMN C[C@@H](NC(=O)c1ccc(F)cc1O)c1cc2ccccc2o1 ZINC001183193510 1122210458 /nfs/dbraw/zinc/21/04/58/1122210458.db2.gz MYEUUNJOVDUJBN-SNVBAGLBSA-N 0 1 299.301 3.769 20 0 CHADMN COc1ccnc(CN[C@H](C)c2cccc(Cl)c2)c1 ZINC000273118113 1122220323 /nfs/dbraw/zinc/22/03/23/1122220323.db2.gz HCOPHQZXJHNNSN-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN COc1ccc([C@H](C)NCc2cccc3c2OCO3)cc1C ZINC000273128405 1122221922 /nfs/dbraw/zinc/22/19/22/1122221922.db2.gz ZHVZDMFPAYMRMI-ZDUSSCGKSA-N 0 1 299.370 3.583 20 0 CHADMN C[C@@H](NCc1n[nH]c(C2CC2)n1)c1cc2ccccc2s1 ZINC000273246957 1122225463 /nfs/dbraw/zinc/22/54/63/1122225463.db2.gz CNUVZNCOVDTDST-SNVBAGLBSA-N 0 1 298.415 3.748 20 0 CHADMN CC1(C)C[C@@H]1N[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000273385539 1122230492 /nfs/dbraw/zinc/23/04/92/1122230492.db2.gz RSQXRFKEIBNNPA-JKSUJKDBSA-N 0 1 270.351 3.698 20 0 CHADMN CN(C(=O)c1cccc2[nH]c(-c3cccs3)nc21)C1CC1 ZINC000273442409 1122232508 /nfs/dbraw/zinc/23/25/08/1122232508.db2.gz BHDVBJXUOKXRRR-UHFFFAOYSA-N 0 1 297.383 3.526 20 0 CHADMN CC[C@H](NCc1n[nH]c(C2CC2)n1)c1ccc(Cl)s1 ZINC000273505311 1122236617 /nfs/dbraw/zinc/23/66/17/1122236617.db2.gz NJENTMYSNZMUHH-VIFPVBQESA-N 0 1 296.827 3.638 20 0 CHADMN Cc1ccc(CN[C@H](c2cncc(F)c2)C2CC2)cc1F ZINC000467308532 1122246845 /nfs/dbraw/zinc/24/68/45/1122246845.db2.gz LHJMBNPPCZHQBV-KRWDZBQOSA-N 0 1 288.341 3.909 20 0 CHADMN C[C@@H]1CC[C@@H]([NH2+]CCc2c(F)cc([O-])cc2F)[C@H](C)C1 ZINC001183972614 1122249491 /nfs/dbraw/zinc/24/94/91/1122249491.db2.gz VWRVHJINURBFDH-GLKRBJQHSA-N 0 1 283.362 3.627 20 0 CHADMN CC[C@@H]1CCCC[C@H]1CN(C)Cc1csnc1OC ZINC001183991914 1122251938 /nfs/dbraw/zinc/25/19/38/1122251938.db2.gz OSUZHHSVSXGDNJ-OLZOCXBDSA-N 0 1 282.453 3.800 20 0 CHADMN Cc1ccc(CNCc2cc(F)cc3cccnc32)o1 ZINC001203270869 1122255761 /nfs/dbraw/zinc/25/57/61/1122255761.db2.gz PNHVFPLUKMRVED-UHFFFAOYSA-N 0 1 270.307 3.565 20 0 CHADMN c1cc(CC2CN(Cc3ccc(OCC4CC4)cc3)C2)co1 ZINC001184197457 1122259107 /nfs/dbraw/zinc/25/91/07/1122259107.db2.gz PLAZBSBNJXVRGT-UHFFFAOYSA-N 0 1 297.398 3.743 20 0 CHADMN CC(C)OCCCN(C)Cc1ccc(F)cc1Cl ZINC000503615871 1122271707 /nfs/dbraw/zinc/27/17/07/1122271707.db2.gz HTWOFJKRELIDEB-UHFFFAOYSA-N 0 1 273.779 3.726 20 0 CHADMN CCc1ccc2c(c1)CN(Cc1cn(C(C)C)nc1C)CC2 ZINC001184418404 1122275744 /nfs/dbraw/zinc/27/57/44/1122275744.db2.gz NUUHGYSRSAOELK-UHFFFAOYSA-N 0 1 297.446 3.893 20 0 CHADMN Cc1cc(C)c2c(c1)CCN(Cc1ccc3c(n1)CCC3)C2 ZINC001184417498 1122276138 /nfs/dbraw/zinc/27/61/38/1122276138.db2.gz DGYVMYWEZQHJLR-UHFFFAOYSA-N 0 1 292.426 3.745 20 0 CHADMN Brc1cccc2c1CCN([C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167951577 1122276629 /nfs/dbraw/zinc/27/66/29/1122276629.db2.gz KOQREPYHJGXDPI-CLLJXQQHSA-N 0 1 292.220 3.606 20 0 CHADMN CCC[C@@H]([NH2+]Cc1nc(C)ccc1[O-])C1CCCCC1 ZINC000504095726 1122285662 /nfs/dbraw/zinc/28/56/62/1122285662.db2.gz HIDUPRLRMUDOCG-OAHLLOKOSA-N 0 1 276.424 3.934 20 0 CHADMN CCN(Cc1cc(C(=O)OC)cs1)Cc1ccccc1 ZINC000711397160 1122288355 /nfs/dbraw/zinc/28/83/55/1122288355.db2.gz TUZSXDSHHWGBQA-UHFFFAOYSA-N 0 1 289.400 3.557 20 0 CHADMN Oc1ccc(CN2CCC[C@@H](CF)C2)cc1C(F)(F)F ZINC000711499044 1122297206 /nfs/dbraw/zinc/29/72/06/1122297206.db2.gz REHUQJJFGGIADR-NSHDSACASA-N 0 1 291.288 3.593 20 0 CHADMN CCc1nocc1CN[C@H](C)c1cc(C)cc(C)c1 ZINC000660198334 1129045186 /nfs/dbraw/zinc/04/51/86/1129045186.db2.gz WBESXYWQMHFZQK-CYBMUJFWSA-N 0 1 258.365 3.705 20 0 CHADMN CCC1(C)CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000504945492 1122313473 /nfs/dbraw/zinc/31/34/73/1122313473.db2.gz SIYBAZDGADISGG-UHFFFAOYSA-N 0 1 297.402 3.729 20 0 CHADMN Cc1ccc(CN2CCC3(CCCC3)C2)c(Cl)n1 ZINC000688568315 1129046427 /nfs/dbraw/zinc/04/64/27/1129046427.db2.gz LBDCFUGBXQESGX-UHFFFAOYSA-N 0 1 264.800 3.810 20 0 CHADMN CCCCc1ccccc1NS(=O)(=O)c1ccsc1 ZINC001185390269 1122336171 /nfs/dbraw/zinc/33/61/71/1122336171.db2.gz BQONHWIWGCYPCT-UHFFFAOYSA-N 0 1 295.429 3.892 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@@H]1CCC[C@@H](F)C1 ZINC000424777441 1122342087 /nfs/dbraw/zinc/34/20/87/1122342087.db2.gz JYJTWZBVUISJEC-HTQZYQBOSA-N 0 1 289.709 3.652 20 0 CHADMN Cc1cnc(CN(C)[C@H](c2ccc(F)cc2)C(C)C)cn1 ZINC000434617824 1122384220 /nfs/dbraw/zinc/38/42/20/1122384220.db2.gz WSIWQCPFRKEVCT-KRWDZBQOSA-N 0 1 287.382 3.753 20 0 CHADMN CC1(C)CCN(Cc2c(F)cccc2F)CCS1 ZINC000434661897 1122391302 /nfs/dbraw/zinc/39/13/02/1122391302.db2.gz AMXQAURFMJLQRZ-UHFFFAOYSA-N 0 1 271.376 3.682 20 0 CHADMN OCc1cc(Cl)c(CCN2CCCCC2)c(Cl)c1 ZINC001250242112 1122393934 /nfs/dbraw/zinc/39/39/34/1122393934.db2.gz ODXKXODRKADFPY-UHFFFAOYSA-N 0 1 288.218 3.514 20 0 CHADMN CC[C@H]1CCCC[C@@H]1CNc1nc(Cl)nc2[nH]cnc21 ZINC001186585880 1122398130 /nfs/dbraw/zinc/39/81/30/1122398130.db2.gz SXVYFCPPMJPPIH-VHSXEESVSA-N 0 1 293.802 3.586 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)N[C@@H]3C[C@@H](C)[C@H]3C)n2)cc1 ZINC000430087874 1122398381 /nfs/dbraw/zinc/39/83/81/1122398381.db2.gz VIINELTVISDFPN-NFFDBFGFSA-N 0 1 299.418 3.994 20 0 CHADMN FC(F)(F)c1ccc(CN2CCCC(F)(F)CC2)cn1 ZINC001205359350 1122401125 /nfs/dbraw/zinc/40/11/25/1122401125.db2.gz UBPZBLKEUNVCAE-UHFFFAOYSA-N 0 1 294.267 3.722 20 0 CHADMN CCc1nn(C)c(CC)c1CN(C)Cc1cccc(C)c1C ZINC000430105242 1122402433 /nfs/dbraw/zinc/40/24/33/1122402433.db2.gz OUHVJOAGYZAPPX-UHFFFAOYSA-N 0 1 299.462 3.794 20 0 CHADMN Cc1ccc(CC2CCN(Cc3cncnc3)CC2)cc1C ZINC000430098485 1122403481 /nfs/dbraw/zinc/40/34/81/1122403481.db2.gz DBZBVRUERXYGRH-UHFFFAOYSA-N 0 1 295.430 3.548 20 0 CHADMN CCc1nnc([C@@H](C)N2CC[C@](C)(c3ccc(C)cc3)C2)o1 ZINC000434749562 1122408759 /nfs/dbraw/zinc/40/87/59/1122408759.db2.gz VZKFWYADRXPNDT-KDOFPFPSSA-N 0 1 299.418 3.665 20 0 CHADMN CCOc1ccc(CNCc2cc(C)cc(Cl)n2)cc1 ZINC000282094292 1122420765 /nfs/dbraw/zinc/42/07/65/1122420765.db2.gz SBFALPHWGIWYJO-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN C[C@@H]1CCCC[C@H]1NCc1noc(-c2ccccc2F)n1 ZINC000435023443 1122428985 /nfs/dbraw/zinc/42/89/85/1122428985.db2.gz KIIVMAAJEDCDJN-BXUZGUMPSA-N 0 1 289.354 3.544 20 0 CHADMN Cc1[nH]nc(CNc2nc3c(cccc3C)s2)c1C ZINC001187504732 1122430411 /nfs/dbraw/zinc/43/04/11/1122430411.db2.gz ZPFSWSKHWXIXMT-UHFFFAOYSA-N 0 1 272.377 3.557 20 0 CHADMN C[C@H](c1cccc(O)c1)N(C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435134106 1122436742 /nfs/dbraw/zinc/43/67/42/1122436742.db2.gz GFYHWPZRENYOIQ-GFCCVEGCSA-N 0 1 297.358 3.568 20 0 CHADMN C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435134107 1122437277 /nfs/dbraw/zinc/43/72/77/1122437277.db2.gz GFYHWPZRENYOIQ-LBPRGKRZSA-N 0 1 297.358 3.568 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc3ccc(Cl)cn23)cc1 ZINC000505616996 1122438330 /nfs/dbraw/zinc/43/83/30/1122438330.db2.gz XYTBKLQBSKPBQR-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN Cc1ccc(CN2Cc3ccccc3O[C@@H](C)C2)s1 ZINC000430133500 1122439916 /nfs/dbraw/zinc/43/99/16/1122439916.db2.gz FFHHCIKNJRFYRO-LBPRGKRZSA-N 0 1 273.401 3.840 20 0 CHADMN CCOc1cccc(CN(C)Cc2occc2C)c1 ZINC000430128722 1122441496 /nfs/dbraw/zinc/44/14/96/1122441496.db2.gz TWJNXOQSHABHOU-UHFFFAOYSA-N 0 1 259.349 3.619 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1cccc(F)c1 ZINC000514728392 1122443828 /nfs/dbraw/zinc/44/38/28/1122443828.db2.gz DMKTUGDEAGXVJM-UHFFFAOYSA-N 0 1 293.363 3.608 20 0 CHADMN Cc1ccccc1-c1cc(C(=O)N2CCC23CCCC3)n[nH]1 ZINC001187970713 1122448348 /nfs/dbraw/zinc/44/83/48/1122448348.db2.gz RNAXLTHUGSLPHC-UHFFFAOYSA-N 0 1 295.386 3.544 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](C)C1CCCCC1 ZINC000514791288 1122451060 /nfs/dbraw/zinc/45/10/60/1122451060.db2.gz LYBNZHWRWRXTGN-ZFWWWQNUSA-N 0 1 269.429 3.634 20 0 CHADMN CC(C)n1cncc1CN(C)[C@H]1CCc2ccccc21 ZINC000425324252 1122453409 /nfs/dbraw/zinc/45/34/09/1122453409.db2.gz KDMRFGJNDJMIKW-KRWDZBQOSA-N 0 1 269.392 3.583 20 0 CHADMN CCN(Cc1cncn1C(C)C)Cc1ccccc1C ZINC000425326548 1122453451 /nfs/dbraw/zinc/45/34/51/1122453451.db2.gz OEMPASCRUKJDKR-UHFFFAOYSA-N 0 1 271.408 3.795 20 0 CHADMN COc1cccc(Cc2cc(F)c(O)c(Cl)c2)c1 ZINC001250265942 1122454661 /nfs/dbraw/zinc/45/46/61/1122454661.db2.gz SAUYGDSFPKHKFA-UHFFFAOYSA-N 0 1 266.699 3.784 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1conc1C ZINC000353199399 1122454776 /nfs/dbraw/zinc/45/47/76/1122454776.db2.gz FEFZOVGHYISUFT-UKTHLTGXSA-N 0 1 256.349 3.518 20 0 CHADMN CC(C)n1cncc1CN1CC[C@H](C(F)(F)F)C1(C)C ZINC000425331009 1122454995 /nfs/dbraw/zinc/45/49/95/1122454995.db2.gz BKDBTMSPGMJFPU-LBPRGKRZSA-N 0 1 289.345 3.627 20 0 CHADMN CCc1ccc(N(CC)Cc2n[nH]c(C(C)C)n2)cc1 ZINC000794413280 1122466807 /nfs/dbraw/zinc/46/68/07/1122466807.db2.gz MBHHPHPVJMIRKW-UHFFFAOYSA-N 0 1 272.396 3.517 20 0 CHADMN C[C@H](N[C@@H]1c2ccc(F)cc2O[C@@H]1C)c1ccccc1 ZINC000514959101 1122467524 /nfs/dbraw/zinc/46/75/24/1122467524.db2.gz FTQJCFBHUHVYBK-JKDFXYPNSA-N 0 1 271.335 3.999 20 0 CHADMN CCc1nnc(SC[C@H]2[C@H](c3ccccc3)C2(F)F)[nH]1 ZINC001188574669 1122468607 /nfs/dbraw/zinc/46/86/07/1122468607.db2.gz KHEIXCZDNJGFAO-JQWIXIFHSA-N 0 1 295.358 3.508 20 0 CHADMN CCc1n[nH]c(SC[C@H]2[C@H](c3ccccc3)C2(F)F)n1 ZINC001188574669 1122468612 /nfs/dbraw/zinc/46/86/12/1122468612.db2.gz KHEIXCZDNJGFAO-JQWIXIFHSA-N 0 1 295.358 3.508 20 0 CHADMN Cc1ccc(CN2CCn3cccc3[C@H]2C)cc1C ZINC000505700362 1122470655 /nfs/dbraw/zinc/47/06/55/1122470655.db2.gz OMZZTWQYGRCTHN-OAHLLOKOSA-N 0 1 254.377 3.682 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CCC=C(C)C1 ZINC000435584242 1122476554 /nfs/dbraw/zinc/47/65/54/1122476554.db2.gz NKSMHXZVDXELRR-UHFFFAOYSA-N 0 1 272.323 3.539 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@H](C)N1C2CCC1CC2 ZINC000515121711 1122478709 /nfs/dbraw/zinc/47/87/09/1122478709.db2.gz RKBIQYBSNQTGNL-NFOMZHRRSA-N 0 1 286.419 3.764 20 0 CHADMN C[C@@H](CSC1CCC(C)(C)CC1)CN1CCOCC1 ZINC001189146671 1122490161 /nfs/dbraw/zinc/49/01/61/1122490161.db2.gz XOKJVBDMROARQC-CQSZACIVSA-N 0 1 285.497 3.657 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3c(C)cc(F)cc3C)ccc12 ZINC001189286171 1122494197 /nfs/dbraw/zinc/49/41/97/1122494197.db2.gz JCIBZLOSMNBPKR-UHFFFAOYSA-N 0 1 297.333 3.880 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1ccc2c(n1)CCCC2 ZINC000435884126 1122494380 /nfs/dbraw/zinc/49/43/80/1122494380.db2.gz OGJUDWFHWSWVTM-IBGZPJMESA-N 0 1 296.389 3.877 20 0 CHADMN COc1ccc(F)c(Nc2ccc3cncn3c2)c1Cl ZINC001250331034 1122501864 /nfs/dbraw/zinc/50/18/64/1122501864.db2.gz GAHHMZJCXMWKCG-UHFFFAOYSA-N 0 1 291.713 3.879 20 0 CHADMN CCCCCN(CCCCC)C(=O)c1cc(CC)[nH]n1 ZINC000515558002 1122511370 /nfs/dbraw/zinc/51/13/70/1122511370.db2.gz ROMYAMCDVGPPDR-UHFFFAOYSA-N 0 1 279.428 3.795 20 0 CHADMN Cc1cnc(CN2CCC[C@@H]2c2ccc(C)c(C)c2)cn1 ZINC000505789221 1122534847 /nfs/dbraw/zinc/53/48/47/1122534847.db2.gz DRZSXDBLLBJXOI-GOSISDBHSA-N 0 1 281.403 3.739 20 0 CHADMN C[C@H](Nc1ccc2c(n1)CCCC2)c1cccc(N)c1 ZINC000712329291 1122541905 /nfs/dbraw/zinc/54/19/05/1122541905.db2.gz XTEUTNKDLXCXRQ-LBPRGKRZSA-N 0 1 267.376 3.716 20 0 CHADMN CC1(C)C[C@H](c2ccccc2)N(Cc2ccon2)C1 ZINC000425538725 1122544007 /nfs/dbraw/zinc/54/40/07/1122544007.db2.gz IZHDDRQSAAZDRV-OAHLLOKOSA-N 0 1 256.349 3.648 20 0 CHADMN CCN(Cc1nc(C(C)(C)C)co1)[C@H](C)C(C)C ZINC001190616416 1122545573 /nfs/dbraw/zinc/54/55/73/1122545573.db2.gz OBJICAFCJDXNRU-GFCCVEGCSA-N 0 1 252.402 3.839 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(F)cc(F)c1OC ZINC001143561341 1122553981 /nfs/dbraw/zinc/55/39/81/1122553981.db2.gz OJFHTHRAJIWHCK-CYBMUJFWSA-N 0 1 269.335 3.738 20 0 CHADMN O[C@@H]1CCCC[C@@H]1CSc1nc2ccc(Cl)cc2[nH]1 ZINC000436475858 1122554676 /nfs/dbraw/zinc/55/46/76/1122554676.db2.gz WWXBSFJFESRTMJ-NOZJJQNGSA-N 0 1 296.823 3.860 20 0 CHADMN CC(C)C[C@H](C)CSc1nc(-c2ccccc2O)n[nH]1 ZINC000436511749 1122556294 /nfs/dbraw/zinc/55/62/94/1122556294.db2.gz JHPDYQXSTRRJEF-NSHDSACASA-N 0 1 291.420 3.952 20 0 CHADMN COc1cccc(Cl)c1CN1CCC(C)CC1 ZINC000505842689 1122556372 /nfs/dbraw/zinc/55/63/72/1122556372.db2.gz OLMHAOUGFCUJEQ-UHFFFAOYSA-N 0 1 253.773 3.581 20 0 CHADMN C[C@H]1CCc2ccccc2[C@@H]1NCc1cccc(F)n1 ZINC000775416210 1122557269 /nfs/dbraw/zinc/55/72/69/1122557269.db2.gz WSPADDAOFYHIRO-YVEFUNNKSA-N 0 1 270.351 3.634 20 0 CHADMN CCn1cc(CN(C)Cc2cccc(C(C)(C)C)c2)cn1 ZINC001191068148 1122568331 /nfs/dbraw/zinc/56/83/31/1122568331.db2.gz BDDZKVUBUSAHBK-UHFFFAOYSA-N 0 1 285.435 3.833 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)c2ccoc2C2CC2)c1 ZINC000436645667 1122568841 /nfs/dbraw/zinc/56/88/41/1122568841.db2.gz DTQZXGPCMRSGQP-UHFFFAOYSA-N 0 1 299.326 3.708 20 0 CHADMN CC(C)(C)CCCCNC(=O)c1ccc(O)c(Cl)c1 ZINC000436676358 1122571385 /nfs/dbraw/zinc/57/13/85/1122571385.db2.gz OSOFVMNVIPZTFD-UHFFFAOYSA-N 0 1 283.799 3.992 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2cnn(-c3ccccc3)n2)CC1 ZINC001191049211 1122571650 /nfs/dbraw/zinc/57/16/50/1122571650.db2.gz ZWSMGTNKXPJHCJ-MRXNPFEDSA-N 0 1 298.434 3.525 20 0 CHADMN COCCN(Cc1cc(C(C)(C)C)on1)[C@H]1CC[C@@H](C)C1 ZINC000516216796 1122579724 /nfs/dbraw/zinc/57/97/24/1122579724.db2.gz SOPNVDBIOGLCPH-HIFRSBDPSA-N 0 1 294.439 3.609 20 0 CHADMN CC(C)[C@H]1CN(C(=O)c2c(O)cccc2F)c2ccccc21 ZINC000436816005 1122586009 /nfs/dbraw/zinc/58/60/09/1122586009.db2.gz RJWQYJZXRIMPDR-CYBMUJFWSA-N 0 1 299.345 3.931 20 0 CHADMN CCOC(=O)CN1CCC[C@H]1c1cccc2ccccc21 ZINC000516308179 1122588222 /nfs/dbraw/zinc/58/82/22/1122588222.db2.gz OIXHZVYYNUZDBT-KRWDZBQOSA-N 0 1 283.371 3.540 20 0 CHADMN CCCOc1cccc(NC(=O)c2c(O)cccc2F)c1 ZINC000436860942 1122589096 /nfs/dbraw/zinc/58/90/96/1122589096.db2.gz RGFIGIUDODGNNU-UHFFFAOYSA-N 0 1 289.306 3.572 20 0 CHADMN CC[C@@H]1CCN1C(=O)c1cc(Cl)c2ccccc2c1O ZINC000436858479 1122589315 /nfs/dbraw/zinc/58/93/15/1122589315.db2.gz FRAGJQITSJYAGV-SNVBAGLBSA-N 0 1 289.762 3.823 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1nnc(C2CC2)o1 ZINC000516394931 1122595864 /nfs/dbraw/zinc/59/58/64/1122595864.db2.gz QSTQYULELOTONL-IOASZLSFSA-N 0 1 297.402 3.714 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1Cc1nnc(C2CC2)o1 ZINC000516394931 1122595867 /nfs/dbraw/zinc/59/58/67/1122595867.db2.gz QSTQYULELOTONL-IOASZLSFSA-N 0 1 297.402 3.714 20 0 CHADMN CCC1CCC(N(C)Cc2cn(-c3ccccc3)nn2)CC1 ZINC001191409174 1122597264 /nfs/dbraw/zinc/59/72/64/1122597264.db2.gz SDAZWPAWJYEGJK-UHFFFAOYSA-N 0 1 298.434 3.668 20 0 CHADMN CC[C@H]1CCCN(Cc2ccn(CCc3ccccc3)n2)C1 ZINC001191409664 1122597453 /nfs/dbraw/zinc/59/74/53/1122597453.db2.gz WAKDTNHAEHKOMF-KRWDZBQOSA-N 0 1 297.446 3.748 20 0 CHADMN CCN(C(=O)c1c(O)cccc1F)[C@@H]1CCCC[C@H]1C ZINC000436982763 1122600385 /nfs/dbraw/zinc/60/03/85/1122600385.db2.gz YOYIUIOZNCMMLD-DGCLKSJQSA-N 0 1 279.355 3.572 20 0 CHADMN C[C@@H]1CCN(Cc2cc(F)ccc2Br)[C@@H]1C ZINC001191486251 1122601997 /nfs/dbraw/zinc/60/19/97/1122601997.db2.gz NSXKJOZNKKJGJS-NXEZZACHSA-N 0 1 286.188 3.819 20 0 CHADMN COc1cc(F)c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1OC ZINC000516479320 1122603565 /nfs/dbraw/zinc/60/35/65/1122603565.db2.gz VHBJFAHOMMWXRZ-DOMZBBRYSA-N 0 1 293.382 3.607 20 0 CHADMN CC(C)N(C)c1ccccc1CN[C@H](C)c1ccco1 ZINC000437075256 1122609422 /nfs/dbraw/zinc/60/94/22/1122609422.db2.gz FZMQDKSIYUOFMD-CQSZACIVSA-N 0 1 272.392 3.975 20 0 CHADMN CC(C)(C)c1nc[nH]c1C(=O)Nc1ccc(C2CCC2)cn1 ZINC000633214402 1129066270 /nfs/dbraw/zinc/06/62/70/1129066270.db2.gz LTYWMDFMBFYGOL-UHFFFAOYSA-N 0 1 298.390 3.622 20 0 CHADMN Nc1ncccc1CN1CC=C(c2ccc(Cl)cc2)CC1 ZINC001191822084 1122617399 /nfs/dbraw/zinc/61/73/99/1122617399.db2.gz SNSJHOACOLKUJH-UHFFFAOYSA-N 0 1 299.805 3.607 20 0 CHADMN COC(=O)c1ccoc1CN1CCCC[C@@H]1CCC(C)C ZINC001191920610 1122620399 /nfs/dbraw/zinc/62/03/99/1122620399.db2.gz JRSOCMFLCMRNGZ-CQSZACIVSA-N 0 1 293.407 3.857 20 0 CHADMN c1ccc(CN2CC[C@@H]2CNc2nc3ccccc3o2)cc1 ZINC000664632309 1122633718 /nfs/dbraw/zinc/63/37/18/1122633718.db2.gz QGDRJKJDLPPFOQ-OAHLLOKOSA-N 0 1 293.370 3.514 20 0 CHADMN CC[N@@H+](Cc1cccc(F)c1)Cc1cccc(COC)c1 ZINC000506052180 1122635270 /nfs/dbraw/zinc/63/52/70/1122635270.db2.gz VPFYWQHCGVFIFM-UHFFFAOYSA-N 0 1 287.378 3.994 20 0 CHADMN C[C@H](N(C)CC(=O)Nc1ccc(F)c(Cl)c1)C1(C)CC1 ZINC000437532003 1122639470 /nfs/dbraw/zinc/63/94/70/1122639470.db2.gz BQHLHDDXDSNFKZ-JTQLQIEISA-N 0 1 298.789 3.538 20 0 CHADMN Fc1ccc2c(c1)CN(C[C@H]1CCCC3(CCC3)O1)CC2 ZINC001192350030 1122640748 /nfs/dbraw/zinc/64/07/48/1122640748.db2.gz YTSKMEPWZPCLHJ-QGZVFWFLSA-N 0 1 289.394 3.676 20 0 CHADMN CC[C@H]1CO[C@H](C)CN1Cc1ccc2nc(C)ccc2c1 ZINC000437583874 1122643782 /nfs/dbraw/zinc/64/37/82/1122643782.db2.gz UMILSTDOBMBXLX-PBHICJAKSA-N 0 1 284.403 3.543 20 0 CHADMN Cc1cc(NC(=O)Nc2cc(O)c(F)c(F)c2)ccc1F ZINC001192391510 1122644670 /nfs/dbraw/zinc/64/46/70/1122644670.db2.gz JNYJZJRSTJFPBN-UHFFFAOYSA-N 0 1 296.248 3.762 20 0 CHADMN c1ccc2[nH]c(CN3CCC[C@@H]4CCCC[C@@H]43)nc2c1 ZINC000506112089 1122651239 /nfs/dbraw/zinc/65/12/39/1122651239.db2.gz IXZJYNPAOPUXPZ-BBRMVZONSA-N 0 1 269.392 3.718 20 0 CHADMN CCC[C@H](NC/C=C(\C)C(=O)OC)c1ccc(F)cc1F ZINC000775543703 1122657744 /nfs/dbraw/zinc/65/77/44/1122657744.db2.gz WZTZOKYKQVKICU-SHQCLWGWSA-N 0 1 297.345 3.515 20 0 CHADMN C[C@H](NC[C@H]1CC1(Cl)Cl)c1cccc(F)c1F ZINC000775551591 1122661270 /nfs/dbraw/zinc/66/12/70/1122661270.db2.gz ZXHBUJXUBXWVCC-JGVFFNPUSA-N 0 1 280.145 3.809 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2cccc(F)c2Cl)C[C@@H]1O ZINC001192946814 1122663718 /nfs/dbraw/zinc/66/37/18/1122663718.db2.gz LQEJIWHCAJRYSO-OCCSQVGLSA-N 0 1 299.817 3.708 20 0 CHADMN Cc1cc(C)c(CN2CCC[C@H]2c2ncc[nH]2)cc1C ZINC000437956304 1122667715 /nfs/dbraw/zinc/66/77/15/1122667715.db2.gz OTAXTZRKKTYGFL-INIZCTEOSA-N 0 1 269.392 3.672 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(CCC2CC2)CC2CC2)[nH]1 ZINC000620631885 1129070428 /nfs/dbraw/zinc/07/04/28/1129070428.db2.gz KYDWXVCIGQFPMM-UHFFFAOYSA-N 0 1 297.402 3.524 20 0 CHADMN Cn1ncc(Cl)c1CN1CCCC2(CCCCC2)C1 ZINC000438090677 1122674363 /nfs/dbraw/zinc/67/43/63/1122674363.db2.gz BTKOMXHRZYGVSC-UHFFFAOYSA-N 0 1 281.831 3.620 20 0 CHADMN C[C@@H]1CCN(Cc2cc(Cl)cs2)CCS1 ZINC000425972785 1122689081 /nfs/dbraw/zinc/68/90/81/1122689081.db2.gz CHTNCMNHPNLFCQ-SECBINFHSA-N 0 1 261.843 3.729 20 0 CHADMN Cc1ncccc1CNCc1ccccc1N(C)C(C)C ZINC000438334380 1122691013 /nfs/dbraw/zinc/69/10/13/1122691013.db2.gz KTVRRGLZPRWXNE-UHFFFAOYSA-N 0 1 283.419 3.524 20 0 CHADMN CCc1nc(CN2CCC[C@@H](C(C)C)C2)cs1 ZINC000438326273 1122691260 /nfs/dbraw/zinc/69/12/60/1122691260.db2.gz OTDJGPZITWZWOI-GFCCVEGCSA-N 0 1 252.427 3.574 20 0 CHADMN CCc1cnc(CN2CCCC3(CCCC3)C2)s1 ZINC000438350929 1122692053 /nfs/dbraw/zinc/69/20/53/1122692053.db2.gz YVWOYTHGOFJIET-UHFFFAOYSA-N 0 1 264.438 3.862 20 0 CHADMN CC(C)OC(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001193486268 1122692608 /nfs/dbraw/zinc/69/26/08/1122692608.db2.gz CJUSKKIZPGNFQO-UHFFFAOYSA-N 0 1 264.108 3.656 20 0 CHADMN CC(C)N(C)c1ccccc1CNCc1cccc(O)c1 ZINC000438345925 1122693591 /nfs/dbraw/zinc/69/35/91/1122693591.db2.gz OJPUCEPMLMZVEF-UHFFFAOYSA-N 0 1 284.403 3.527 20 0 CHADMN O=C(N=c1cc2[nH]snc-2cc1Cl)OC1CCCC1 ZINC001193567907 1122698587 /nfs/dbraw/zinc/69/85/87/1122698587.db2.gz ZBKSSPDTVDCIDD-UHFFFAOYSA-N 0 1 297.767 3.836 20 0 CHADMN CC(C)[C@@H](CC(F)(F)F)NCc1ncc(Cl)s1 ZINC000438476663 1122703343 /nfs/dbraw/zinc/70/33/43/1122703343.db2.gz GKFXPHJROGQBHH-SSDOTTSWSA-N 0 1 286.750 3.863 20 0 CHADMN CC(C)[C@H](CC(F)(F)F)NCc1ncc(Cl)s1 ZINC000438476664 1122703713 /nfs/dbraw/zinc/70/37/13/1122703713.db2.gz GKFXPHJROGQBHH-ZETCQYMHSA-N 0 1 286.750 3.863 20 0 CHADMN CCc1nc([C@H](C)NC2CC3(C2)COC(C)(C)C3)cs1 ZINC000925033582 1122707271 /nfs/dbraw/zinc/70/72/71/1122707271.db2.gz MLXMBIIBPCFTGJ-FZWSLVFFSA-N 0 1 294.464 3.704 20 0 CHADMN Cc1ccc2cc([C@H](C)N[C@H](C)c3cnn(C)c3)oc2c1 ZINC000426053980 1122709046 /nfs/dbraw/zinc/70/90/46/1122709046.db2.gz ZMSLDVMVFFXSDW-OLZOCXBDSA-N 0 1 283.375 3.887 20 0 CHADMN CC(C)CCC[C@@H](C)NC(=O)c1cccc2nc[nH]c21 ZINC000438574239 1122710855 /nfs/dbraw/zinc/71/08/55/1122710855.db2.gz SHBVTERBRACBIK-GFCCVEGCSA-N 0 1 273.380 3.508 20 0 CHADMN CC(C)CCC[C@@H](C)NC(=O)c1ccc(F)c(O)c1F ZINC001193794146 1122717274 /nfs/dbraw/zinc/71/72/74/1122717274.db2.gz YZPZBFRNCQGFFM-SNVBAGLBSA-N 0 1 285.334 3.615 20 0 CHADMN C[C@H]1C[C@@H](NC(=O)c2ccc(F)c(O)c2F)CC(C)(C)C1 ZINC001193793253 1122717450 /nfs/dbraw/zinc/71/74/50/1122717450.db2.gz MJLIGOXBWHYOBU-VHSXEESVSA-N 0 1 297.345 3.615 20 0 CHADMN Cc1c(F)c(F)ccc1NC(=O)c1[nH]cnc1C(C)(C)C ZINC000633440936 1129073278 /nfs/dbraw/zinc/07/32/78/1129073278.db2.gz CWBHLVCWCKDRNJ-UHFFFAOYSA-N 0 1 293.317 3.546 20 0 CHADMN CC[N@H+](CC(=O)Nc1ccc(Cl)c(F)c1)CC1CCC1 ZINC001193762569 1122718477 /nfs/dbraw/zinc/71/84/77/1122718477.db2.gz QYGHLTLIPVMEBC-UHFFFAOYSA-N 0 1 298.789 3.540 20 0 CHADMN Cc1cccc(CN2CCO[C@@H](c3ccccc3)C2)c1C ZINC000506327866 1122718660 /nfs/dbraw/zinc/71/86/60/1122718660.db2.gz VJUAHXNOYSUMFF-LJQANCHMSA-N 0 1 281.399 3.877 20 0 CHADMN CN(CCN1CC[C@](F)(c2ccccc2)C1)c1ccccc1 ZINC001193826588 1122723071 /nfs/dbraw/zinc/72/30/71/1122723071.db2.gz FMGHZBXILNSKPZ-LJQANCHMSA-N 0 1 298.405 3.694 20 0 CHADMN CCc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000506357922 1122723761 /nfs/dbraw/zinc/72/37/61/1122723761.db2.gz VPHNMIJLNWPNPO-IBGZPJMESA-N 0 1 281.399 3.823 20 0 CHADMN CCc1ccc(CN2CCO[C@H](c3ccccc3)C2)cc1 ZINC000506357922 1122723764 /nfs/dbraw/zinc/72/37/64/1122723764.db2.gz VPHNMIJLNWPNPO-IBGZPJMESA-N 0 1 281.399 3.823 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2cc(Cl)cs2)C[C@@H]1O ZINC000426166096 1122725293 /nfs/dbraw/zinc/72/52/93/1122725293.db2.gz BWNVWNGLJIDGGP-STQMWFEESA-N 0 1 287.856 3.630 20 0 CHADMN C(=C\c1ccncc1)\CN1Cc2ccccc2C2(CC2)C1 ZINC000426160415 1122725645 /nfs/dbraw/zinc/72/56/45/1122725645.db2.gz KTKYPQZYOCQCRB-ARJAWSKDSA-N 0 1 276.383 3.642 20 0 CHADMN CC[C@H]1CCCN(Cc2cnc3ccc(Cl)cn23)C1 ZINC000509549416 1122726706 /nfs/dbraw/zinc/72/67/06/1122726706.db2.gz OCRKVEFWQIATBY-LBPRGKRZSA-N 0 1 277.799 3.610 20 0 CHADMN Cc1ccc(F)c(CN(C)Cc2cccc(N(C)C)c2)c1 ZINC001193906944 1122729076 /nfs/dbraw/zinc/72/90/76/1122729076.db2.gz OGXIRHKHEXYXNX-UHFFFAOYSA-N 0 1 286.394 3.832 20 0 CHADMN CC1(C)CCN(Cc2cc(O)ccc2Cl)CCS1 ZINC001193953553 1122730688 /nfs/dbraw/zinc/73/06/88/1122730688.db2.gz GJRLCSDMKHBPKC-UHFFFAOYSA-N 0 1 285.840 3.763 20 0 CHADMN CC/C=C/CC[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC001194019758 1122738711 /nfs/dbraw/zinc/73/87/11/1122738711.db2.gz DDIQSARSWYTYQI-RGDDUWESSA-N 0 1 276.399 3.693 20 0 CHADMN COc1ccc(CNc2nccn2-c2ccccc2)cc1F ZINC000438934135 1122741439 /nfs/dbraw/zinc/74/14/39/1122741439.db2.gz VASQCSGRSOEOBE-UHFFFAOYSA-N 0 1 297.333 3.632 20 0 CHADMN C[C@@H](O)CC[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000438993936 1122746555 /nfs/dbraw/zinc/74/65/55/1122746555.db2.gz XNWJKWOHIDZFPW-YGRLFVJLSA-N 0 1 288.218 3.901 20 0 CHADMN C[C@@H](O)CCN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000438993936 1122746558 /nfs/dbraw/zinc/74/65/58/1122746558.db2.gz XNWJKWOHIDZFPW-YGRLFVJLSA-N 0 1 288.218 3.901 20 0 CHADMN CCCOC(=O)Nc1cc(Cl)c(O)cc1Cl ZINC001194122316 1122748251 /nfs/dbraw/zinc/74/82/51/1122748251.db2.gz HNFDFJOIPIVXGO-UHFFFAOYSA-N 0 1 264.108 3.658 20 0 CHADMN CCCN(Cc1c(F)cc(OCC)cc1F)CC1CC1 ZINC001143565489 1122759741 /nfs/dbraw/zinc/75/97/41/1122759741.db2.gz XZFAGXMDHUFVMS-UHFFFAOYSA-N 0 1 283.362 3.986 20 0 CHADMN Cc1ccnc(CN2CC[C@@H](c3ccccc3)C[C@@H]2C)n1 ZINC000439334833 1122771439 /nfs/dbraw/zinc/77/14/39/1122771439.db2.gz YMDCHJFMHKIWCN-DOTOQJQBSA-N 0 1 281.403 3.553 20 0 CHADMN c1cc2cc(N[C@H]3CCCC34CCOCC4)ccc2cn1 ZINC000296682386 1122777055 /nfs/dbraw/zinc/77/70/55/1122777055.db2.gz ZUBIWKPHJDVVCF-KRWDZBQOSA-N 0 1 282.387 3.996 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CCCO[C@H](CC)C1 ZINC000439473383 1122782535 /nfs/dbraw/zinc/78/25/35/1122782535.db2.gz LPYQAGUOLCFXGO-CZUORRHYSA-N 0 1 283.362 3.917 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@]12C[C@H]1CCC2 ZINC000518751790 1122785756 /nfs/dbraw/zinc/78/57/56/1122785756.db2.gz GTBNALWUCATRGN-KZULUSFZSA-N 0 1 295.386 3.959 20 0 CHADMN CCCc1csc(CN2CC[C@@H]2Cc2ccccc2)n1 ZINC000426408275 1122786432 /nfs/dbraw/zinc/78/64/32/1122786432.db2.gz BWZQABSCJDBOLD-MRXNPFEDSA-N 0 1 286.444 3.913 20 0 CHADMN CCCO[C@H]1CCCN(Cc2nc(CCC)cs2)CC1 ZINC000426408618 1122786912 /nfs/dbraw/zinc/78/69/12/1122786912.db2.gz DSRNXVFQNYTYGU-HNNXBMFYSA-N 0 1 296.480 3.877 20 0 CHADMN CN(Cc1ccccn1)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001194641383 1122787434 /nfs/dbraw/zinc/78/74/34/1122787434.db2.gz XJUQHEJCSLJNJB-HOTGVXAUSA-N 0 1 288.341 3.562 20 0 CHADMN Cc1cc(CN(C)Cc2cccc(C)c2C)sn1 ZINC001194616385 1122788337 /nfs/dbraw/zinc/78/83/37/1122788337.db2.gz XFQOETKIRLOGOK-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN c1csc(-c2nc(CNC3CCC3)cs2)c1 ZINC000264563323 1129078002 /nfs/dbraw/zinc/07/80/02/1129078002.db2.gz VGVKKJBFSLKZQT-UHFFFAOYSA-N 0 1 250.392 3.514 20 0 CHADMN CCCc1csc(CN2CC[C@H](C)[C@H](C)C2)n1 ZINC000426419550 1122789760 /nfs/dbraw/zinc/78/97/60/1122789760.db2.gz LXYYRJYHKBSBHV-NWDGAFQWSA-N 0 1 252.427 3.574 20 0 CHADMN CCCc1csc(CN2CC[C@@H](C)[C@H](C)C2)n1 ZINC000426419552 1122790220 /nfs/dbraw/zinc/79/02/20/1122790220.db2.gz LXYYRJYHKBSBHV-VXGBXAGGSA-N 0 1 252.427 3.574 20 0 CHADMN CCC(CC)COC(=O)N=c1[nH]sc2ncccc21 ZINC001194684560 1122791884 /nfs/dbraw/zinc/79/18/84/1122791884.db2.gz BEURKLASFOABIV-UHFFFAOYSA-N 0 1 279.365 3.676 20 0 CHADMN Clc1cccc(CN2CC[C@@H](Oc3ccccc3)C2)c1 ZINC001203800610 1122792322 /nfs/dbraw/zinc/79/23/22/1122792322.db2.gz YHEUUQIKSVZITA-QGZVFWFLSA-N 0 1 287.790 3.993 20 0 CHADMN CCC(CC)CN(CC)[C@H](C)c1nc(C2CC2)no1 ZINC000153843303 1129078569 /nfs/dbraw/zinc/07/85/69/1129078569.db2.gz DDLWBPMFZXBEMY-LLVKDONJSA-N 0 1 265.401 3.766 20 0 CHADMN Fc1ccc(Br)c(CN2CC[C@H]3CCC[C@@H]32)c1 ZINC000426461489 1122798679 /nfs/dbraw/zinc/79/86/79/1122798679.db2.gz SPQGDCSMUAECNE-YGRLFVJLSA-N 0 1 298.199 3.963 20 0 CHADMN Brc1cc(CN2CC[C@@H]3CCC[C@@H]32)cs1 ZINC000426464315 1122798789 /nfs/dbraw/zinc/79/87/89/1122798789.db2.gz WKLMIHOUYUDMPS-QWRGUYRKSA-N 0 1 286.238 3.885 20 0 CHADMN CC[C@@H](C[C@H](C)CO)Nc1ccnc2cc(F)ccc21 ZINC000439711184 1122799293 /nfs/dbraw/zinc/79/92/93/1122799293.db2.gz TXLTUROYPLIYAC-AAEUAGOBSA-N 0 1 276.355 3.583 20 0 CHADMN CCCCc1nc(CN2CC[C@@H]3CCC[C@@H]32)cs1 ZINC000426467192 1122801399 /nfs/dbraw/zinc/80/13/99/1122801399.db2.gz BLLDRCFKWRDWTG-JSGCOSHPSA-N 0 1 264.438 3.860 20 0 CHADMN C(=C/c1ccccc1)\CN1CCc2sccc2C1 ZINC000506674259 1122803833 /nfs/dbraw/zinc/80/38/33/1122803833.db2.gz KCYJPSKSJWPKNO-QPJJXVBHSA-N 0 1 255.386 3.820 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CC[C@H]2CCC[C@H]21 ZINC000426495195 1122805408 /nfs/dbraw/zinc/80/54/08/1122805408.db2.gz JYHKKJPAVCQTGG-TZMCWYRMSA-N 0 1 287.382 3.570 20 0 CHADMN C[C@@H](NCc1ccccc1F)c1ccc(F)cc1N(C)C ZINC000153946165 1129079364 /nfs/dbraw/zinc/07/93/64/1129079364.db2.gz SXEPUNJOMYFZOQ-GFCCVEGCSA-N 0 1 290.357 3.882 20 0 CHADMN c1coc(C2=CCCN(Cc3cnn(CC4CCC4)c3)C2)c1 ZINC000894390311 1122810977 /nfs/dbraw/zinc/81/09/77/1122810977.db2.gz BKDPEQFPQBLYRE-UHFFFAOYSA-N 0 1 297.402 3.566 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2c(C)noc2C)c1 ZINC000153937227 1129079502 /nfs/dbraw/zinc/07/95/02/1129079502.db2.gz NAOZRDNFGGTLNV-LLVKDONJSA-N 0 1 274.364 3.541 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1CC(C)(C)Cc2occc21 ZINC000153929220 1129079767 /nfs/dbraw/zinc/07/97/67/1129079767.db2.gz QEROQEKVRCBKQX-CQSZACIVSA-N 0 1 274.364 3.688 20 0 CHADMN CCCCCCN[C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000775622730 1122827264 /nfs/dbraw/zinc/82/72/64/1122827264.db2.gz GQJCMURZHXUIEW-KRWDZBQOSA-N 0 1 289.398 3.819 20 0 CHADMN Cc1cnc(CN2CCC[C@]3(CCCc4ccccc43)C2)o1 ZINC000440320456 1122838398 /nfs/dbraw/zinc/83/83/98/1122838398.db2.gz XZGRPOSGXRFWQB-LJQANCHMSA-N 0 1 296.414 3.853 20 0 CHADMN C[C@@H](NC[C@@H](O)c1ccc2ccccc2c1)c1nccs1 ZINC000080305390 1129082579 /nfs/dbraw/zinc/08/25/79/1129082579.db2.gz WNFOADYWXNYZFG-MLGOLLRUSA-N 0 1 298.411 3.681 20 0 CHADMN COc1ccccc1OC(=O)Nc1cccc(Cl)c1O ZINC001195262365 1122857468 /nfs/dbraw/zinc/85/74/68/1122857468.db2.gz TZEYFZHBENDJOT-UHFFFAOYSA-N 0 1 293.706 3.665 20 0 CHADMN Cc1ccc(OC[C@H](C)NCc2cccnc2Cl)cc1 ZINC001648955844 1122864778 /nfs/dbraw/zinc/86/47/78/1122864778.db2.gz IADRQBDXECTOIT-ZDUSSCGKSA-N 0 1 290.794 3.601 20 0 CHADMN COc1ccc(CN[C@H]2CCCc3ccc(C)cc32)nc1 ZINC000894518679 1122867251 /nfs/dbraw/zinc/86/72/51/1122867251.db2.gz KOWVMVCZVDZQII-SFHVURJKSA-N 0 1 282.387 3.566 20 0 CHADMN CCn1cc(CNCc2ccc3sccc3c2)c(C)n1 ZINC000894533412 1122869457 /nfs/dbraw/zinc/86/94/57/1122869457.db2.gz ZYFCPFUAAUHGOJ-UHFFFAOYSA-N 0 1 285.416 3.716 20 0 CHADMN CCCCC[C@H](CC)C(=O)N1CCN(C2CCCC2)CC1 ZINC000775657186 1122871011 /nfs/dbraw/zinc/87/10/11/1122871011.db2.gz XLQVPEMMLXENJD-INIZCTEOSA-N 0 1 294.483 3.680 20 0 CHADMN Cc1cccc(OCCN2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000664829520 1122871131 /nfs/dbraw/zinc/87/11/31/1122871131.db2.gz PDUIGLFFSURACH-GOSISDBHSA-N 0 1 296.414 3.852 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1c(C)ccnc1N ZINC000894564057 1122873514 /nfs/dbraw/zinc/87/35/14/1122873514.db2.gz ZVAHUYLYAMWTLD-SDNWHVSQSA-N 0 1 281.403 3.508 20 0 CHADMN Cc1nc([C@@](C)(NC[C@@H](C)C2CCCCC2)C2CC2)no1 ZINC000550139061 1122875693 /nfs/dbraw/zinc/87/56/93/1122875693.db2.gz QEODBUJCNHCTIV-PXAZEXFGSA-N 0 1 291.439 3.809 20 0 CHADMN CN(CCN1CC(C)(C)[C@H]1c1ccncc1)c1ccccc1 ZINC000664833090 1122876141 /nfs/dbraw/zinc/87/61/41/1122876141.db2.gz IXKDEDNSUCGUSH-GOSISDBHSA-N 0 1 295.430 3.601 20 0 CHADMN Cc1ncoc1CN1CC=C(c2cccc(Cl)c2)CC1 ZINC000894614755 1122880489 /nfs/dbraw/zinc/88/04/89/1122880489.db2.gz XPNHACUUUGZZSE-UHFFFAOYSA-N 0 1 288.778 3.926 20 0 CHADMN Cc1cc(-c2nc3ccc(F)cc3[nH]2)ccc1N(C)C ZINC001250797564 1122883700 /nfs/dbraw/zinc/88/37/00/1122883700.db2.gz MCFTVTQXJVQKEE-UHFFFAOYSA-N 0 1 269.323 3.743 20 0 CHADMN CC[N@@H+](Cc1c(C)n[nH]c1C)Cc1cccc(Cl)c1 ZINC000154166996 1129084479 /nfs/dbraw/zinc/08/44/79/1129084479.db2.gz HRKHRAUFWQWPDY-UHFFFAOYSA-N 0 1 277.799 3.702 20 0 CHADMN CCN(Cc1c(C)n[nH]c1C)Cc1cccc(Cl)c1 ZINC000154166996 1129084481 /nfs/dbraw/zinc/08/44/81/1129084481.db2.gz HRKHRAUFWQWPDY-UHFFFAOYSA-N 0 1 277.799 3.702 20 0 CHADMN CC1=CC(=O)CN=C1NC1=CC[C@H](C(F)(F)F)CC1 ZINC001195836223 1122893222 /nfs/dbraw/zinc/89/32/22/1122893222.db2.gz YGPUQLIGZWUVHX-VIFPVBQESA-N 0 1 272.270 3.754 20 0 CHADMN Cc1nccnc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC001250921070 1122894695 /nfs/dbraw/zinc/89/46/95/1122894695.db2.gz ZRWXAYFLVCPXPM-UHFFFAOYSA-N 0 1 266.348 3.626 20 0 CHADMN COC/C(C)=C\CN1CCc2oc(-c3ccccc3)cc2C1 ZINC001195876063 1122896007 /nfs/dbraw/zinc/89/60/07/1122896007.db2.gz FUHGWOOQROUWFH-NVNXTCNLSA-N 0 1 297.398 3.897 20 0 CHADMN COC(=O)[C@@]1(NC[C@H]2CCCC[C@H]2C)CC[C@@H](C)CC1 ZINC001195970383 1122898428 /nfs/dbraw/zinc/89/84/28/1122898428.db2.gz MCNDHNSMRKNOHJ-KCYZZUKISA-N 0 1 281.440 3.524 20 0 CHADMN Clc1n[nH]c(C2CC2)c1CN1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000894735358 1122900481 /nfs/dbraw/zinc/90/04/81/1122900481.db2.gz IARDMGIXXQOWEY-IUODEOHRSA-N 0 1 291.826 3.561 20 0 CHADMN CCC[C@H]1CCCC[C@H]1NCc1nnc(C(C)(C)C)o1 ZINC000775677707 1122901049 /nfs/dbraw/zinc/90/10/49/1122901049.db2.gz IGRVBOLJMYXTAN-QWHCGFSZSA-N 0 1 279.428 3.816 20 0 CHADMN CC(C)c1cnc(CN[C@H]2CCCCC2(C)C)o1 ZINC000775681597 1122902132 /nfs/dbraw/zinc/90/21/32/1122902132.db2.gz CRLZJHBYBYGBHA-ZDUSSCGKSA-N 0 1 250.386 3.856 20 0 CHADMN Cc1cnc(Cl)c(CN2CCC[C@@]3(CCSC3)C2)c1 ZINC000894772514 1122903168 /nfs/dbraw/zinc/90/31/68/1122903168.db2.gz JFRDMOZESBAJOZ-OAHLLOKOSA-N 0 1 296.867 3.763 20 0 CHADMN c1ccc(CN(Cc2nccc3ccccc32)C2CC2)nc1 ZINC000894778981 1122904718 /nfs/dbraw/zinc/90/47/18/1122904718.db2.gz BBMYJDJALCJUPC-UHFFFAOYSA-N 0 1 289.382 3.794 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC(C)CC1 ZINC000008318292 1122904862 /nfs/dbraw/zinc/90/48/62/1122904862.db2.gz QCRIXPCNYWUTAC-CYBMUJFWSA-N 0 1 294.826 3.707 20 0 CHADMN Cc1ccc2nc(-c3cccc4[nH]cnc43)[nH]c2c1C ZINC001250967266 1122905166 /nfs/dbraw/zinc/90/51/66/1122905166.db2.gz XMTVIRSDCVCUCY-UHFFFAOYSA-N 0 1 262.316 3.723 20 0 CHADMN CC1(C)CCC[N@@H+](Cc2nc(C3CCCC3)no2)CC1 ZINC000154307428 1129085885 /nfs/dbraw/zinc/08/58/85/1129085885.db2.gz KMLFLLJLAXDXAG-UHFFFAOYSA-N 0 1 277.412 3.739 20 0 CHADMN CC1(C)CCCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000154307428 1129085889 /nfs/dbraw/zinc/08/58/89/1129085889.db2.gz KMLFLLJLAXDXAG-UHFFFAOYSA-N 0 1 277.412 3.739 20 0 CHADMN C[C@H]1CC2(CC(Nc3ccc4cnccc4c3)C2)CO1 ZINC000894807256 1122907018 /nfs/dbraw/zinc/90/70/18/1122907018.db2.gz GAEAXCRSNPDEMQ-CDEQTRAXSA-N 0 1 268.360 3.604 20 0 CHADMN Cc1ccccc1CC1CN(Cc2cnn(C3CCC3)c2)C1 ZINC000894820658 1122908325 /nfs/dbraw/zinc/90/83/25/1122908325.db2.gz QUOQMTYCNKNMEE-UHFFFAOYSA-N 0 1 295.430 3.591 20 0 CHADMN COc1ccc2c(c1)CCN([C@H](C)c1cccc(F)c1)C2 ZINC001196169072 1122909840 /nfs/dbraw/zinc/90/98/40/1122909840.db2.gz ZPKGXPFTJGXZIT-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC(C)(C(C)C)CC2)o1 ZINC000426746704 1122913684 /nfs/dbraw/zinc/91/36/84/1122913684.db2.gz ZJBNRBIFFLPABR-CYBMUJFWSA-N 0 1 250.386 3.802 20 0 CHADMN Cc1ccc(CCCN2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1 ZINC001196274284 1122915595 /nfs/dbraw/zinc/91/55/95/1122915595.db2.gz FBPAXLOQZZGJAS-PBHICJAKSA-N 0 1 297.389 3.672 20 0 CHADMN Cc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2ccccc2Cl)o1 ZINC000426793901 1122915824 /nfs/dbraw/zinc/91/58/24/1122915824.db2.gz RTIWHQSOBMVYKU-CYBMUJFWSA-N 0 1 293.750 3.547 20 0 CHADMN C[C@H]1CC(C)(C)CC[C@@H]1NCc1nnc(C(C)(C)C)o1 ZINC000775707486 1122916518 /nfs/dbraw/zinc/91/65/18/1122916518.db2.gz KWBAJMVFUZJBHI-RYUDHWBXSA-N 0 1 279.428 3.672 20 0 CHADMN Cc1cc(C[NH2+][C@@H](C(=O)[O-])c2cccs2)ccc1Cl ZINC000426823868 1122917884 /nfs/dbraw/zinc/91/78/84/1122917884.db2.gz FHXHYQJILDAWRO-CYBMUJFWSA-N 0 1 295.791 3.625 20 0 CHADMN CC(C)c1ccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1 ZINC000507022196 1122919839 /nfs/dbraw/zinc/91/98/39/1122919839.db2.gz NUKUSZNHBHPLKA-UHFFFAOYSA-N 0 1 297.280 3.804 20 0 CHADMN Cc1sccc1CN1CCN(c2cccc(C)c2)CC1 ZINC000507047203 1122921553 /nfs/dbraw/zinc/92/15/53/1122921553.db2.gz DFLJCNWKWACAFY-UHFFFAOYSA-N 0 1 286.444 3.687 20 0 CHADMN CCc1nocc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000507077761 1122923096 /nfs/dbraw/zinc/92/30/96/1122923096.db2.gz NAMUDNHUDXXYQG-MRXNPFEDSA-N 0 1 274.339 3.713 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)c(F)cc1O ZINC001196453872 1122923778 /nfs/dbraw/zinc/92/37/78/1122923778.db2.gz PFSWPOICRFJRGX-DTORHVGOSA-N 0 1 285.746 3.588 20 0 CHADMN CCC(CC)CCCN(C)[C@H](C)C(=O)OC(C)(C)C ZINC001196506195 1122924192 /nfs/dbraw/zinc/92/41/92/1122924192.db2.gz MWBIKXMQQVYKDB-CYBMUJFWSA-N 0 1 271.445 3.865 20 0 CHADMN COC[C@@]1(C)CN([C@H](C)c2ccc(C(C)C)cc2)CCO1 ZINC001196622681 1122928979 /nfs/dbraw/zinc/92/89/79/1122928979.db2.gz JYBXDTKQFFHLNP-CRAIPNDOSA-N 0 1 291.435 3.608 20 0 CHADMN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CC[C@@H](C)C1 ZINC000507162782 1122932005 /nfs/dbraw/zinc/93/20/05/1122932005.db2.gz DUJOXVNJZPKDPO-QLFBSQMISA-N 0 1 288.435 3.869 20 0 CHADMN CC(C)N(C)CC(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000102648884 1122934513 /nfs/dbraw/zinc/93/45/13/1122934513.db2.gz MZLZIOFBCILIFR-UHFFFAOYSA-N 0 1 294.464 3.856 20 0 CHADMN Cc1[nH]nc2ncc(C[N@H+](C)[C@H](C)c3ccccc3C)cc12 ZINC000507194149 1122938047 /nfs/dbraw/zinc/93/80/47/1122938047.db2.gz QDRLXWJQWCJAIM-CQSZACIVSA-N 0 1 294.402 3.768 20 0 CHADMN O[C@@H]1CCC[C@H]1NCc1c(Cl)ccc(Cl)c1Cl ZINC000323199913 1122938587 /nfs/dbraw/zinc/93/85/87/1122938587.db2.gz UCHIWLQWOSBTDG-GHMZBOCLSA-N 0 1 294.609 3.650 20 0 CHADMN Cc1n[nH]cc1CN(Cc1cccc(Cl)c1)C(C)C ZINC000154472875 1129088075 /nfs/dbraw/zinc/08/80/75/1129088075.db2.gz CWEKTMBPPOLGNK-UHFFFAOYSA-N 0 1 277.799 3.782 20 0 CHADMN CCCC(C)(C)CC(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000427078221 1122941204 /nfs/dbraw/zinc/94/12/04/1122941204.db2.gz SYBYLYBLKWMBMH-UHFFFAOYSA-N 0 1 291.439 3.641 20 0 CHADMN CCCCCC[N@H+]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001197012835 1122942490 /nfs/dbraw/zinc/94/24/90/1122942490.db2.gz IWXVCQHHZZEPPA-KRWDZBQOSA-N 0 1 277.408 3.649 20 0 CHADMN CCCCCCN1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001197012835 1122942493 /nfs/dbraw/zinc/94/24/93/1122942493.db2.gz IWXVCQHHZZEPPA-KRWDZBQOSA-N 0 1 277.408 3.649 20 0 CHADMN CCCN(Cc1ccnc(C)n1)[C@@H](C)c1ccccc1OC ZINC000507312149 1122946130 /nfs/dbraw/zinc/94/61/30/1122946130.db2.gz QZCFLHJSFARFET-AWEZNQCLSA-N 0 1 299.418 3.767 20 0 CHADMN Cc1ncc(CN2C[C@H](C)C[C@H](C)C2)cc1Br ZINC001237557162 1129088406 /nfs/dbraw/zinc/08/84/06/1129088406.db2.gz LJKPCJSAANAHFJ-PHIMTYICSA-N 0 1 297.240 3.630 20 0 CHADMN Cc1noc(CN[C@H]2CCC(C)(C)C[C@H]2c2ccccc2)n1 ZINC001197204193 1122948172 /nfs/dbraw/zinc/94/81/72/1122948172.db2.gz XLBHYEPQJVLOTP-HOTGVXAUSA-N 0 1 299.418 3.830 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCCC[C@@H]2C(F)(F)F)nn1C ZINC000519600630 1122950123 /nfs/dbraw/zinc/95/01/23/1122950123.db2.gz NZDSUDDGXRSISG-SDDRHHMPSA-N 0 1 289.345 3.500 20 0 CHADMN C[C@@H]1CO[C@@H](C)CN1Cc1ccc(C2CCC2)cc1 ZINC000507371325 1122950965 /nfs/dbraw/zinc/95/09/65/1122950965.db2.gz ZQRYUPPPDFLYDX-KGLIPLIRSA-N 0 1 259.393 3.563 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1cc(F)ccc1Br ZINC000507431045 1122954548 /nfs/dbraw/zinc/95/45/48/1122954548.db2.gz DCOPNTXHONFZSM-VIFPVBQESA-N 0 1 286.188 3.819 20 0 CHADMN COc1cccc(Cl)c1CN(C)[C@H](C)C1CC1 ZINC000507452157 1122955699 /nfs/dbraw/zinc/95/56/99/1122955699.db2.gz UBAHZCQETPOOKU-SNVBAGLBSA-N 0 1 253.773 3.579 20 0 CHADMN Oc1cc(NC(=S)Nc2cccc(F)c2)cc(F)c1F ZINC001197644359 1122962834 /nfs/dbraw/zinc/96/28/34/1122962834.db2.gz LHQBNEANJWPHMI-UHFFFAOYSA-N 0 1 298.289 3.618 20 0 CHADMN COc1cc(CN2CC[C@@H](C)[C@@H]2c2ccccc2)sn1 ZINC001197657208 1122963586 /nfs/dbraw/zinc/96/35/86/1122963586.db2.gz AAIOZRWTEKQSJL-MLGOLLRUSA-N 0 1 288.416 3.735 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)N1Cc2c[nH]nc2C[C@H](C)C1 ZINC001197785896 1122969433 /nfs/dbraw/zinc/96/94/33/1122969433.db2.gz LHUOVKRNNLLPSP-RYUDHWBXSA-N 0 1 289.810 3.819 20 0 CHADMN CSc1cccc(C)c1NS(=O)(=O)c1ccsc1 ZINC000334211411 1122970608 /nfs/dbraw/zinc/97/06/08/1122970608.db2.gz YWALQWLYPFUALU-UHFFFAOYSA-N 0 1 299.442 3.579 20 0 CHADMN Cc1cc(CN2CC(C)(C)C[C@H]2C)cnc1Cl ZINC000840970169 1122974424 /nfs/dbraw/zinc/97/44/24/1122974424.db2.gz QURLQZGZPTUXKU-LLVKDONJSA-N 0 1 252.789 3.664 20 0 CHADMN CCCCC[C@H](CC)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000775806277 1122977547 /nfs/dbraw/zinc/97/75/47/1122977547.db2.gz YQALCGDNDLZJTD-OLZOCXBDSA-N 0 1 294.443 3.712 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C(C)(C)C1 ZINC000334277807 1122980574 /nfs/dbraw/zinc/98/05/74/1122980574.db2.gz DPBDJAJAOPLDCD-AAEUAGOBSA-N 0 1 280.437 3.615 20 0 CHADMN CCC[C@H](C[N@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000519614138 1122981638 /nfs/dbraw/zinc/98/16/38/1122981638.db2.gz XCRNWFSETQZFSO-USXIJHARSA-N 0 1 289.419 3.613 20 0 CHADMN Cc1cccnc1[C@@H](C)NCc1ccc(Cl)s1 ZINC001198641370 1123003720 /nfs/dbraw/zinc/00/37/20/1123003720.db2.gz PZTFJSLBZRHCRB-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1ccc(F)c(CN2CCCC[C@@H]2[C@@H]2CCCO2)c1F ZINC001198684691 1123006604 /nfs/dbraw/zinc/00/66/04/1123006604.db2.gz CXVMALSVSMTADM-CVEARBPZSA-N 0 1 295.373 3.807 20 0 CHADMN c1csc(CN2CCC[C@H](C3CCCC3)C2)n1 ZINC001198705563 1123008877 /nfs/dbraw/zinc/00/88/77/1123008877.db2.gz LHMXBWHUKPAGHE-ZDUSSCGKSA-N 0 1 250.411 3.545 20 0 CHADMN CC[C@@H](F)CN(CCc1ccccc1)Cc1cccnc1 ZINC000440517905 1123009853 /nfs/dbraw/zinc/00/98/53/1123009853.db2.gz JEJVHEFUEHNOPT-GOSISDBHSA-N 0 1 286.394 3.874 20 0 CHADMN CCc1ccc(CN2CCc3cc(C)cc(C)c3C2)nc1 ZINC001198850711 1123012112 /nfs/dbraw/zinc/01/21/12/1123012112.db2.gz CITTWZZKBDSNTD-UHFFFAOYSA-N 0 1 280.415 3.819 20 0 CHADMN CCc1ccc(CN2CCc3ccc(CC)cc3C2)nc1 ZINC001198853251 1123012574 /nfs/dbraw/zinc/01/25/74/1123012574.db2.gz VRTXOBLIVNRCSJ-UHFFFAOYSA-N 0 1 280.415 3.765 20 0 CHADMN Cc1nccc(N2CC(C)(C)O[C@@H]3CCC[C@H]32)c1Cl ZINC000440533590 1123013138 /nfs/dbraw/zinc/01/31/38/1123013138.db2.gz CJDILGUVWRCLAH-DGCLKSJQSA-N 0 1 280.799 3.580 20 0 CHADMN Fc1cc(CNCc2ccc(Cl)cc2)cnc1Cl ZINC001199059921 1123019436 /nfs/dbraw/zinc/01/94/36/1123019436.db2.gz JSKIKSNEMKPBTG-UHFFFAOYSA-N 0 1 285.149 3.817 20 0 CHADMN c1nc(CN2CCC[C@@H]3CCCC[C@@H]32)oc1C1CC1 ZINC000334459115 1123022843 /nfs/dbraw/zinc/02/28/43/1123022843.db2.gz LCUNWMCSVDNBCZ-JSGCOSHPSA-N 0 1 260.381 3.707 20 0 CHADMN Cc1cccc(C2=CC[N@@H+]([C@H](CC(C)C)C(=O)[O-])CC2)c1 ZINC000519759150 1123024424 /nfs/dbraw/zinc/02/44/24/1123024424.db2.gz MHDVZEMKEIDSHR-QGZVFWFLSA-N 0 1 287.403 3.583 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1nnc(C(C)(C)C)o1)C1CC1 ZINC000104966483 1123027708 /nfs/dbraw/zinc/02/77/08/1123027708.db2.gz BZFOSWZNNAMFOB-NEPJUHHUSA-N 0 1 279.428 3.766 20 0 CHADMN COc1cc(CNCc2cc3ccccc3o2)ccc1F ZINC001199329528 1123027810 /nfs/dbraw/zinc/02/78/10/1123027810.db2.gz VUBMNKHDPNSXOJ-UHFFFAOYSA-N 0 1 285.318 3.870 20 0 CHADMN CC[C@@H](F)CN1CCSC[C@@H]1c1ccc(C)cc1 ZINC000440700018 1123029624 /nfs/dbraw/zinc/02/96/24/1123029624.db2.gz FDNXDIPOHGDOTN-HUUCEWRRSA-N 0 1 267.413 3.833 20 0 CHADMN CC[C@H](F)CN1CC=C(c2cccc(OC)c2)CC1 ZINC000440696673 1123030166 /nfs/dbraw/zinc/03/01/66/1123030166.db2.gz JXNPDCQXKVMGTE-HNNXBMFYSA-N 0 1 263.356 3.532 20 0 CHADMN CCc1ncc(CN[C@H]2CCc3cc(F)ccc32)s1 ZINC000084018422 1123030340 /nfs/dbraw/zinc/03/03/40/1123030340.db2.gz MAANMWWJGRMZTI-AWEZNQCLSA-N 0 1 276.380 3.622 20 0 CHADMN CC[C@](C)(NCCO[C@@H]1CCCC[C@H]1C)c1nccs1 ZINC000440700009 1123030660 /nfs/dbraw/zinc/03/06/60/1123030660.db2.gz VNHWKUHEMAWUHJ-FMKPAKJESA-N 0 1 296.480 3.953 20 0 CHADMN CCCN[C@H](C)c1nc(-c2cccc(Cl)c2F)no1 ZINC000843208860 1123030710 /nfs/dbraw/zinc/03/07/10/1123030710.db2.gz HEHORHMZBKQXGR-MRVPVSSYSA-N 0 1 283.734 3.590 20 0 CHADMN CC[C@H](F)CN(C)Cc1cccc(Br)c1 ZINC000440703256 1123030896 /nfs/dbraw/zinc/03/08/96/1123030896.db2.gz QYNIMSHBOBTUPV-LBPRGKRZSA-N 0 1 274.177 3.629 20 0 CHADMN C[C@H]1CCN(Cc2ncc(C3CC3)o2)CC12CCC2 ZINC000334468173 1123032218 /nfs/dbraw/zinc/03/22/18/1123032218.db2.gz XOUKXMKXMDNXPP-LBPRGKRZSA-N 0 1 260.381 3.564 20 0 CHADMN CSc1ccc(CNCCOc2cccc(Cl)c2)o1 ZINC001199570893 1123032826 /nfs/dbraw/zinc/03/28/26/1123032826.db2.gz BJFCDUWVXHQTME-UHFFFAOYSA-N 0 1 297.807 3.824 20 0 CHADMN CCOc1ccccc1CNCc1cc2cccnc2o1 ZINC001199640824 1123035508 /nfs/dbraw/zinc/03/55/08/1123035508.db2.gz YYZVJKSPQVAXNM-UHFFFAOYSA-N 0 1 282.343 3.516 20 0 CHADMN CC[C@H](F)CN1CCC(=Cc2cccc(OC)c2)CC1 ZINC000440777860 1123037248 /nfs/dbraw/zinc/03/72/48/1123037248.db2.gz IGOFOUQATUQFDD-INIZCTEOSA-N 0 1 277.383 3.923 20 0 CHADMN Clc1cc2c(s1)CC[C@H]2NCc1cncs1 ZINC000164656744 1123043770 /nfs/dbraw/zinc/04/37/70/1123043770.db2.gz HTPZCABYPSZTJU-SECBINFHSA-N 0 1 270.810 3.635 20 0 CHADMN CC[C@@H](NCc1nccn1CC(C)C)c1ccccc1 ZINC000164773608 1123050150 /nfs/dbraw/zinc/05/01/50/1123050150.db2.gz RWLZBNVADXAIBM-MRXNPFEDSA-N 0 1 271.408 3.780 20 0 CHADMN CC[C@H](NCc1cccnc1Cl)c1ccc(OC)cc1 ZINC000105415433 1123051746 /nfs/dbraw/zinc/05/17/46/1123051746.db2.gz VIPDYUIESKRELR-HNNXBMFYSA-N 0 1 290.794 3.985 20 0 CHADMN Cc1cc(F)cc(CN2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC001143580295 1123052219 /nfs/dbraw/zinc/05/22/19/1123052219.db2.gz DFJQOMIXLLISNV-LJQANCHMSA-N 0 1 298.405 3.623 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC001152815156 1123061957 /nfs/dbraw/zinc/06/19/57/1123061957.db2.gz ITYWUYAIYCZILL-OAGGEKHMSA-N 0 1 282.472 3.534 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@@H]1CCCCCC(=O)C1 ZINC000520306620 1123074314 /nfs/dbraw/zinc/07/43/14/1123074314.db2.gz PBDOSVSJBKEMBA-SNVBAGLBSA-N 0 1 295.766 3.524 20 0 CHADMN Cc1cc(C)cc(NC(=O)c2c(O)cccc2Cl)c1 ZINC000049084884 1123089769 /nfs/dbraw/zinc/08/97/69/1123089769.db2.gz SLAXMHPRJJEKLS-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN Brc1cc(CN2C[C@@H]3CCC[C@@H]3C2)cs1 ZINC000532058172 1123090743 /nfs/dbraw/zinc/09/07/43/1123090743.db2.gz HPZNZOSYQTWBFA-PHIMTYICSA-N 0 1 286.238 3.743 20 0 CHADMN Cc1ccc(-c2nc(CN(C)C(C)C)cs2)cc1 ZINC000152289247 1123090936 /nfs/dbraw/zinc/09/09/36/1123090936.db2.gz YITIICKUSRNXIO-UHFFFAOYSA-N 0 1 260.406 3.959 20 0 CHADMN CCn1cc(CN2CC3(CC(F)C3)C2)c(-c2ccccc2)n1 ZINC000894976067 1123096962 /nfs/dbraw/zinc/09/69/62/1123096962.db2.gz IVKQPZQEUIPLOL-UHFFFAOYSA-N 0 1 299.393 3.504 20 0 CHADMN COC[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000112986239 1123100075 /nfs/dbraw/zinc/10/00/75/1123100075.db2.gz TYXLIULMCYIBDW-NSHDSACASA-N 0 1 288.218 3.852 20 0 CHADMN C[C@@H](N[C@@H]1CSc2ccccc21)c1ccncc1 ZINC000123632999 1123101950 /nfs/dbraw/zinc/10/19/50/1123101950.db2.gz ZWQJZGCCCGNIMW-BXUZGUMPSA-N 0 1 256.374 3.579 20 0 CHADMN CC(C)(C)CN1CCN(c2ccccc2Cl)CC1 ZINC001201440565 1123105018 /nfs/dbraw/zinc/10/50/18/1123105018.db2.gz SNJAVPYLIVSMGG-UHFFFAOYSA-N 0 1 266.816 3.508 20 0 CHADMN C[C@H]1CCN(C/C(Br)=C/c2ccccc2)C1 ZINC001201450832 1123106991 /nfs/dbraw/zinc/10/69/91/1123106991.db2.gz LCISZLFBRDPOOS-CJAAZZPWSA-N 0 1 280.209 3.764 20 0 CHADMN CC[C@H](C)CN(Cc1ccccn1)Cc1ccccn1 ZINC001201499781 1123112527 /nfs/dbraw/zinc/11/25/27/1123112527.db2.gz QZSKPGWDRFTZQM-HNNXBMFYSA-N 0 1 269.392 3.525 20 0 CHADMN CC[C@H](C)CN(Cc1cccnc1)Cc1cccnc1 ZINC001201511102 1123114011 /nfs/dbraw/zinc/11/40/11/1123114011.db2.gz FLJGCUVPJHTSIR-HNNXBMFYSA-N 0 1 269.392 3.525 20 0 CHADMN NC1(c2noc(-c3ccc(Cl)s3)n2)CCCCC1 ZINC000051173373 1123120553 /nfs/dbraw/zinc/12/05/53/1123120553.db2.gz RBZFAPLTMUMTAZ-UHFFFAOYSA-N 0 1 283.784 3.570 20 0 CHADMN CCCC[C@H](CC)CN1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001201562576 1123124079 /nfs/dbraw/zinc/12/40/79/1123124079.db2.gz GGUODNPYVIVFKI-AVGNSLFASA-N 0 1 299.352 3.540 20 0 CHADMN CS[C@H](C)CNCc1nc(-c2cccs2)oc1C ZINC001201608955 1123130804 /nfs/dbraw/zinc/13/08/04/1123130804.db2.gz SSBMQLSTABJSDY-SECBINFHSA-N 0 1 282.434 3.553 20 0 CHADMN c1cc(Nc2ccc(C3CC3)cc2)n(-c2ccncc2)n1 ZINC001201674431 1123133897 /nfs/dbraw/zinc/13/38/97/1123133897.db2.gz FBUYXZPHECLSSQ-UHFFFAOYSA-N 0 1 276.343 3.888 20 0 CHADMN CSCCCN(Cc1cc(C)no1)Cc1ccccc1 ZINC001201696427 1123137775 /nfs/dbraw/zinc/13/77/75/1123137775.db2.gz LUQMBYBLLWYBEN-UHFFFAOYSA-N 0 1 290.432 3.738 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1NCc1cnsc1 ZINC001201685927 1123142409 /nfs/dbraw/zinc/14/24/09/1123142409.db2.gz YFEZYSCFZONRLB-IAQYHMDHSA-N 0 1 258.390 3.556 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1NCc1cnsc1 ZINC001201685924 1123142775 /nfs/dbraw/zinc/14/27/75/1123142775.db2.gz YFEZYSCFZONRLB-ABAIWWIYSA-N 0 1 258.390 3.556 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000076146057 1123145198 /nfs/dbraw/zinc/14/51/98/1123145198.db2.gz UPWVIZRZCXKKNJ-MRXNPFEDSA-N 0 1 289.379 3.732 20 0 CHADMN CN(CCc1ccccc1)CC(=O)c1c[nH]c2ccccc12 ZINC000053048087 1123145853 /nfs/dbraw/zinc/14/58/53/1123145853.db2.gz RRIJAWJMZKXGNZ-UHFFFAOYSA-N 0 1 292.382 3.525 20 0 CHADMN CCCCCc1cc(C(=O)N2CCCC[C@@H]2CC)n[nH]1 ZINC000665068917 1123146438 /nfs/dbraw/zinc/14/64/38/1123146438.db2.gz ITOMUENDZQTICX-AWEZNQCLSA-N 0 1 277.412 3.547 20 0 CHADMN OCC[C@H](NCc1nccc2ccccc21)c1cccs1 ZINC000776208816 1123147207 /nfs/dbraw/zinc/14/72/07/1123147207.db2.gz LFMWMVXOANWQNE-HNNXBMFYSA-N 0 1 298.411 3.510 20 0 CHADMN CC[C@@H](C)Nc1nccc(NC(=O)C(C)(C)C)c1C ZINC001168000236 1123147790 /nfs/dbraw/zinc/14/77/90/1123147790.db2.gz RXLCRUAPRPXTPL-SNVBAGLBSA-N 0 1 263.385 3.585 20 0 CHADMN CC[C@@H]1CCN(Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000155397623 1129102049 /nfs/dbraw/zinc/10/20/49/1129102049.db2.gz JGRSCQRORJYTIR-LLVKDONJSA-N 0 1 292.329 3.852 20 0 CHADMN CCOC(=O)[C@@H](CC)N1CCC[C@H](c2ccccc2)CC1 ZINC000441491826 1123150260 /nfs/dbraw/zinc/15/02/60/1123150260.db2.gz OAEXCYVPPDZZFN-DLBZAZTESA-N 0 1 289.419 3.598 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnn(C(C)C)c1)c1c(C)noc1C ZINC000090887558 1123156378 /nfs/dbraw/zinc/15/63/78/1123156378.db2.gz KECDDBWALDEVMS-IAQYHMDHSA-N 0 1 290.411 3.871 20 0 CHADMN Cc1coc(CN(Cc2ccc(C)nc2)CC2CC2)c1 ZINC000895077403 1123163515 /nfs/dbraw/zinc/16/35/15/1123163515.db2.gz DYMOVODKIAWTSF-UHFFFAOYSA-N 0 1 270.376 3.704 20 0 CHADMN CC[C@H]1C[C@H](C[N@H+]2CCc3c4ccccc4[nH]c3C2)CCO1 ZINC000507780754 1123178331 /nfs/dbraw/zinc/17/83/31/1123178331.db2.gz XICWDOHABOKAEC-CABCVRRESA-N 0 1 298.430 3.731 20 0 CHADMN CC[C@H]1C[C@H](CN2CCc3c4ccccc4[nH]c3C2)CCO1 ZINC000507780754 1123178334 /nfs/dbraw/zinc/17/83/34/1123178334.db2.gz XICWDOHABOKAEC-CABCVRRESA-N 0 1 298.430 3.731 20 0 CHADMN Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CNC1CC1 ZINC000061003422 1123179242 /nfs/dbraw/zinc/17/92/42/1123179242.db2.gz RIEADWZCVZWHQK-UHFFFAOYSA-N 0 1 289.810 3.703 20 0 CHADMN CCOc1ccc(-c2nc3cccc(C)c3[nH]2)cc1 ZINC000070238338 1123179960 /nfs/dbraw/zinc/17/99/60/1123179960.db2.gz QZVKLABFKZCKKP-UHFFFAOYSA-N 0 1 252.317 3.937 20 0 CHADMN CC[C@@H](C)N(C)Cc1csc(-c2ccoc2)n1 ZINC000170986132 1123179978 /nfs/dbraw/zinc/17/99/78/1123179978.db2.gz WWXAHLAHFHAOHV-SNVBAGLBSA-N 0 1 250.367 3.633 20 0 CHADMN Cc1cc(CN(Cc2ccccc2)[C@@H](C)C2CC2)no1 ZINC000053064774 1123180295 /nfs/dbraw/zinc/18/02/95/1123180295.db2.gz BNTIRZJPBHCVDE-AWEZNQCLSA-N 0 1 270.376 3.784 20 0 CHADMN C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000507783116 1123184862 /nfs/dbraw/zinc/18/48/62/1123184862.db2.gz LIZMDPSTRGYRMV-IBGZPJMESA-N 0 1 299.389 3.840 20 0 CHADMN Cc1cccc(C)c1NC(=O)Nc1c(O)cc(F)cc1F ZINC001202208747 1123187694 /nfs/dbraw/zinc/18/76/94/1123187694.db2.gz XMQDBSPYUJOOFE-UHFFFAOYSA-N 0 1 292.285 3.931 20 0 CHADMN Cc1cc2ccccc2c(N[C@H]2CCO[C@@H](C)C2)n1 ZINC001161691441 1123190654 /nfs/dbraw/zinc/19/06/54/1123190654.db2.gz DUPZQNYVTXHBJS-JSGCOSHPSA-N 0 1 256.349 3.523 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(Cl)nc2)cc1F ZINC000749323155 1123192973 /nfs/dbraw/zinc/19/29/73/1123192973.db2.gz NRIUDSXNPQGGHD-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN Cn1cncc1CN[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000334593956 1123193610 /nfs/dbraw/zinc/19/36/10/1123193610.db2.gz TWJBWURZHYPXCR-AWEZNQCLSA-N 0 1 296.201 3.504 20 0 CHADMN COCCC1(CNc2ccc3c(n2)CCC3)CCCCC1 ZINC001202445186 1123208969 /nfs/dbraw/zinc/20/89/69/1123208969.db2.gz QSVOLYNBZWPXSY-UHFFFAOYSA-N 0 1 288.435 3.969 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1c(OC)ccc3ccccc31)C2 ZINC001203991312 1123209321 /nfs/dbraw/zinc/20/93/21/1123209321.db2.gz OZZAEWIGQVGYEZ-KXBFYZLASA-N 0 1 297.398 3.602 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2cnccn2)c1 ZINC000155890651 1129106754 /nfs/dbraw/zinc/10/67/54/1129106754.db2.gz OZBMHMDJXIMJLD-KGLIPLIRSA-N 0 1 255.365 3.505 20 0 CHADMN C[C@H](Sc1c[nH]nn1)c1ccc2ccccc2c1 ZINC000155874962 1129107082 /nfs/dbraw/zinc/10/70/82/1129107082.db2.gz MMPIIDCTIOJNQB-JTQLQIEISA-N 0 1 255.346 3.811 20 0 CHADMN CC[C@H](O)CNCc1c(Cl)ccc(Cl)c1Cl ZINC000229969841 1123226967 /nfs/dbraw/zinc/22/69/67/1123226967.db2.gz CYYURYXQQCXINJ-ZETCQYMHSA-N 0 1 282.598 3.507 20 0 CHADMN COc1ccc(-c2ccc(F)c(CN(C)C)c2)cc1OC ZINC000665199327 1123227470 /nfs/dbraw/zinc/22/74/70/1123227470.db2.gz CYLSGHYITGHRGZ-UHFFFAOYSA-N 0 1 289.350 3.572 20 0 CHADMN CCn1nc(C)cc1-c1ccc2nc(C(F)F)[nH]c2c1 ZINC000665214386 1123231945 /nfs/dbraw/zinc/23/19/45/1123231945.db2.gz WOLYAQDJMNRENV-UHFFFAOYSA-N 0 1 276.290 3.692 20 0 CHADMN CCCn1nccc1CNCc1ccc2ccccc2c1 ZINC000850078162 1123241216 /nfs/dbraw/zinc/24/12/16/1123241216.db2.gz HUCMBPDAMMHCLG-UHFFFAOYSA-N 0 1 279.387 3.736 20 0 CHADMN CN(Cc1ncc(-c2ccccc2)s1)CC1CC1 ZINC000156232580 1129111089 /nfs/dbraw/zinc/11/10/89/1129111089.db2.gz DZCCGUOFRPKGRW-UHFFFAOYSA-N 0 1 258.390 3.652 20 0 CHADMN Cn1cccc1C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000507873630 1123243969 /nfs/dbraw/zinc/24/39/69/1123243969.db2.gz HLQNQAFLVLYBBX-WFTPILKQSA-N 0 1 266.388 3.703 20 0 CHADMN CCn1nccc1CN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000507881708 1123244504 /nfs/dbraw/zinc/24/45/04/1123244504.db2.gz HSGSBQIUGWEQAA-QXPKXGMISA-N 0 1 281.403 3.581 20 0 CHADMN Cc1ncoc1CN(C)[C@@H](C)CSc1ccccc1 ZINC000895133011 1123245579 /nfs/dbraw/zinc/24/55/79/1123245579.db2.gz ASSOIEKZMRULRM-LBPRGKRZSA-N 0 1 276.405 3.596 20 0 CHADMN CC(C)(C)OC(=O)CN1CCCCC[C@H]1c1ccccc1 ZINC000520787604 1123250925 /nfs/dbraw/zinc/25/09/25/1123250925.db2.gz SRTYOSMDNQLGIJ-INIZCTEOSA-N 0 1 289.419 3.945 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H](C)c2ccc(Cl)cc2)cn1 ZINC000427825195 1123252791 /nfs/dbraw/zinc/25/27/91/1123252791.db2.gz KIMMTIDJKVAJKN-RYUDHWBXSA-N 0 1 275.783 3.850 20 0 CHADMN Cc1cc(CNCc2ccc3[nH]c(C)cc3c2)sn1 ZINC000639166591 1123254224 /nfs/dbraw/zinc/25/42/24/1123254224.db2.gz NWIQTCIHRVYSAX-UHFFFAOYSA-N 0 1 271.389 3.531 20 0 CHADMN C1=C[C@H](NCc2ncc(-c3ccccc3)s2)CC1 ZINC000850359116 1123256540 /nfs/dbraw/zinc/25/65/40/1123256540.db2.gz WYUZSQRXQXYGKN-ZDUSSCGKSA-N 0 1 256.374 3.618 20 0 CHADMN CCCOc1cccc(CN[C@H]2C[C@H](O)c3ccccc32)c1 ZINC000850370727 1123258679 /nfs/dbraw/zinc/25/86/79/1123258679.db2.gz FZVCVQVFMDBODT-OALUTQOASA-N 0 1 297.398 3.743 20 0 CHADMN Cc1cc(Cl)cc(CN[C@H]2C[C@@H](O)c3ccccc32)c1 ZINC000850373614 1123259418 /nfs/dbraw/zinc/25/94/18/1123259418.db2.gz ICUNHEWVHXVCHY-DLBZAZTESA-N 0 1 287.790 3.916 20 0 CHADMN O[C@@H]1C[C@H](NCc2cc(Cl)cs2)c2ccccc21 ZINC000850376052 1123260090 /nfs/dbraw/zinc/26/00/90/1123260090.db2.gz WFGLCONEIWGMPK-UONOGXRCSA-N 0 1 279.792 3.670 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2)[C@@H](O)C(C)C)c(C)o1 ZINC000850394715 1123262055 /nfs/dbraw/zinc/26/20/55/1123262055.db2.gz AICDFKGFTUBFDG-ROUUACIJSA-N 0 1 287.403 3.744 20 0 CHADMN c1cnc(CNC2CCC(C3CCCCC3)CC2)nc1 ZINC000850393318 1123262149 /nfs/dbraw/zinc/26/21/49/1123262149.db2.gz ARBQHGIJJOTRGX-UHFFFAOYSA-N 0 1 273.424 3.705 20 0 CHADMN C[C@@H](N[C@@H]1CCCN(C)c2ccccc21)c1ccccn1 ZINC000334579860 1123262818 /nfs/dbraw/zinc/26/28/18/1123262818.db2.gz OIUZBGUERJKGBD-RHSMWYFYSA-N 0 1 281.403 3.704 20 0 CHADMN C[C@H](CSCCF)N[C@@H](C)c1c(F)cccc1F ZINC000850426551 1123265145 /nfs/dbraw/zinc/26/51/45/1123265145.db2.gz WHRVLOSHKMTKBZ-ZJUUUORDSA-N 0 1 277.355 3.707 20 0 CHADMN C[C@H](NCc1ccc(Cl)nc1)c1ccc(C(F)F)nc1 ZINC000850424891 1123265690 /nfs/dbraw/zinc/26/56/90/1123265690.db2.gz NMCVHAOQLQGRTF-VIFPVBQESA-N 0 1 297.736 3.918 20 0 CHADMN CC[C@H](C)CCCCC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000680212411 1123275898 /nfs/dbraw/zinc/27/58/98/1123275898.db2.gz PLWSJTZEXOKJBH-JSGCOSHPSA-N 0 1 277.412 3.510 20 0 CHADMN Oc1ccc2c(c1)[C@H](N[C@@H]1C[C@H](O)c3ccccc31)CCC2 ZINC000850524235 1123280617 /nfs/dbraw/zinc/28/06/17/1123280617.db2.gz BAOOKEGTWSJBIX-QRVBRYPASA-N 0 1 295.382 3.538 20 0 CHADMN CCC1CCC([N@@H+](C)Cc2csc(C(=O)[O-])c2)CC1 ZINC000520823488 1123286118 /nfs/dbraw/zinc/28/61/18/1123286118.db2.gz HZQXRJRWCCQJOY-UHFFFAOYSA-N 0 1 281.421 3.847 20 0 CHADMN CCCN[C@H](C)c1nc(-c2ccc(C(C)C)cc2)no1 ZINC000109506131 1123297850 /nfs/dbraw/zinc/29/78/50/1123297850.db2.gz BJJNGOIQJWPKHK-GFCCVEGCSA-N 0 1 273.380 3.921 20 0 CHADMN Cc1n[nH]cc1CN[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000113346078 1123298563 /nfs/dbraw/zinc/29/85/63/1123298563.db2.gz JUTPJWJJFOUYCN-CYBMUJFWSA-N 0 1 296.201 3.802 20 0 CHADMN CCc1cccc(CNCc2cnc(Cl)s2)c1 ZINC000895152761 1123304630 /nfs/dbraw/zinc/30/46/30/1123304630.db2.gz VIDNFKIMCAEYOJ-UHFFFAOYSA-N 0 1 266.797 3.649 20 0 CHADMN Cc1nnc([C@H](C)N2CCC3(C2)CCCCC3)s1 ZINC000335143765 1123310094 /nfs/dbraw/zinc/31/00/94/1123310094.db2.gz SWLANTYZCRARGK-NSHDSACASA-N 0 1 265.426 3.564 20 0 CHADMN c1cc(-c2ncc(CN3C[C@@H]4C[C@H]3CS4)s2)cs1 ZINC000335156100 1123311376 /nfs/dbraw/zinc/31/13/76/1123311376.db2.gz JOPGTZOUGJVMFS-QWRGUYRKSA-N 0 1 294.470 3.561 20 0 CHADMN CCc1nc(C)c(CN2CCc3ccccc3[C@H]2C)o1 ZINC000428247829 1123312006 /nfs/dbraw/zinc/31/20/06/1123312006.db2.gz OKRVXHPZZKNHHZ-CYBMUJFWSA-N 0 1 270.376 3.665 20 0 CHADMN COc1ccc(CN2Cc3ccccc3[C@H]2C)cc1 ZINC000353882041 1123312902 /nfs/dbraw/zinc/31/29/02/1123312902.db2.gz OYKPYXCOTVXSIX-CYBMUJFWSA-N 0 1 253.345 3.772 20 0 CHADMN COC[C@@H](N[C@H](C)c1c[nH]c2ncccc12)c1ccc(C)o1 ZINC000156443687 1129113219 /nfs/dbraw/zinc/11/32/19/1129113219.db2.gz APTOQUPBYRHRPA-IUODEOHRSA-N 0 1 299.374 3.503 20 0 CHADMN CCCc1nc(CN2CC[C@@H](C3CCC3)C2)cs1 ZINC000665284208 1123318006 /nfs/dbraw/zinc/31/80/06/1123318006.db2.gz FJBQPUWQLUOHOU-CYBMUJFWSA-N 0 1 264.438 3.718 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CC[C@H](C2CCC2)C1 ZINC000665286346 1123327048 /nfs/dbraw/zinc/32/70/48/1123327048.db2.gz JOBPHCIFTSBHDN-YPMHNXCESA-N 0 1 277.412 3.550 20 0 CHADMN C[C@@H](NC1(c2ccc(F)cc2)CC1)c1cncc(F)c1 ZINC000346793771 1123327370 /nfs/dbraw/zinc/32/73/70/1123327370.db2.gz JYMILFCSSCZPKZ-LLVKDONJSA-N 0 1 274.314 3.700 20 0 CHADMN C[C@@H](c1noc(-c2ccccc2)n1)N1CC[C@H](C2CCC2)C1 ZINC000665290344 1123333902 /nfs/dbraw/zinc/33/39/02/1123333902.db2.gz UYHHUUYJJQSNRN-BBRMVZONSA-N 0 1 297.402 3.920 20 0 CHADMN CCCOc1ccc(CN[C@H](C)c2cccc(F)c2)cn1 ZINC000156699224 1129115349 /nfs/dbraw/zinc/11/53/49/1129115349.db2.gz OSMRMSZPKPSZPK-CYBMUJFWSA-N 0 1 288.366 3.860 20 0 CHADMN O=C(Nc1ccc2ccoc2c1)c1cccc2nc[nH]c21 ZINC000442922296 1123349106 /nfs/dbraw/zinc/34/91/06/1123349106.db2.gz GJZIQJXRYXQVIE-UHFFFAOYSA-N 0 1 277.283 3.561 20 0 CHADMN CCCN1CCC[C@@H]1c1nc(-c2ccccc2Cl)no1 ZINC000443098312 1123358084 /nfs/dbraw/zinc/35/80/84/1123358084.db2.gz ZJTCWPWLZPFFJI-CYBMUJFWSA-N 0 1 291.782 3.937 20 0 CHADMN Cc1cc(F)cc(-c2noc(CN3[C@H](C)CC[C@H]3C)n2)c1 ZINC000443228627 1123365096 /nfs/dbraw/zinc/36/50/96/1123365096.db2.gz VSPBBEUZTGZEOT-VXGBXAGGSA-N 0 1 289.354 3.557 20 0 CHADMN CC1=C(C)C[C@@H](C(=O)Nc2ccccc2-c2nnc[nH]2)CC1 ZINC000335488586 1123373058 /nfs/dbraw/zinc/37/30/58/1123373058.db2.gz VZARLZUKOUGYNV-ZDUSSCGKSA-N 0 1 296.374 3.547 20 0 CHADMN Fc1cccc(CN2CCC[C@@H]2c2ccccc2)n1 ZINC000851710412 1123374071 /nfs/dbraw/zinc/37/40/71/1123374071.db2.gz LRRLVAUBNTYBIW-OAHLLOKOSA-N 0 1 256.324 3.558 20 0 CHADMN c1nonc1CN1CCC[C@@H]1c1cccc2ccccc21 ZINC000851734888 1123375184 /nfs/dbraw/zinc/37/51/84/1123375184.db2.gz ADTXXCBPDHUFFZ-QGZVFWFLSA-N 0 1 279.343 3.560 20 0 CHADMN Fc1cccc(C[C@@H]2CCCN2Cc2cccc(F)n2)c1 ZINC000851728248 1123375468 /nfs/dbraw/zinc/37/54/68/1123375468.db2.gz JVNLUXQMDJQZHE-INIZCTEOSA-N 0 1 288.341 3.567 20 0 CHADMN CCN(Cc1cccc(F)n1)[C@H](C)c1cccc(OC)c1 ZINC000851737077 1123377361 /nfs/dbraw/zinc/37/73/61/1123377361.db2.gz ZPISDKGZGJEAQI-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN Cc1ccccc1C1CCN(Cc2cccc(F)n2)CC1 ZINC000851762738 1123378927 /nfs/dbraw/zinc/37/89/27/1123378927.db2.gz XGCXXTDFOYFSMB-UHFFFAOYSA-N 0 1 284.378 3.909 20 0 CHADMN C[C@H](NCc1ccc2c(c1)OCO2)c1csc(Cl)c1 ZINC000191108433 1123379211 /nfs/dbraw/zinc/37/92/11/1123379211.db2.gz VQPQZFCHCKBHQJ-VIFPVBQESA-N 0 1 295.791 3.981 20 0 CHADMN CS[C@H]1CCCCN(CC=C(Cl)Cl)C1 ZINC000851859363 1123385268 /nfs/dbraw/zinc/38/52/68/1123385268.db2.gz PPYBXKXWCBNAHU-VIFPVBQESA-N 0 1 254.226 3.523 20 0 CHADMN Clc1cnn(C[N@H+]2CCCC[C@H]2Cc2ccccc2)c1 ZINC000110268456 1123385637 /nfs/dbraw/zinc/38/56/37/1123385637.db2.gz BTEMPVPZFHTXRC-INIZCTEOSA-N 0 1 289.810 3.591 20 0 CHADMN Clc1cnn(CN2CCCC[C@H]2Cc2ccccc2)c1 ZINC000110268456 1123385640 /nfs/dbraw/zinc/38/56/40/1123385640.db2.gz BTEMPVPZFHTXRC-INIZCTEOSA-N 0 1 289.810 3.591 20 0 CHADMN Cc1cc(-c2nnc(CN(C)[C@H](C)C(C)(C)C)o2)c(C)o1 ZINC000535562100 1123386825 /nfs/dbraw/zinc/38/68/25/1123386825.db2.gz MXANFLYBBSLBNZ-GFCCVEGCSA-N 0 1 291.395 3.813 20 0 CHADMN Fc1ccccc1C1(NCCOCc2ccccc2)CC1 ZINC000851904301 1123387756 /nfs/dbraw/zinc/38/77/56/1123387756.db2.gz WMQIFQXZNNACRG-UHFFFAOYSA-N 0 1 285.362 3.621 20 0 CHADMN CCc1nocc1CN[C@](C)(CC)c1ccccc1 ZINC000851900251 1123387920 /nfs/dbraw/zinc/38/79/20/1123387920.db2.gz BNSGJZDZZNPODJ-MRXNPFEDSA-N 0 1 258.365 3.652 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1Cc1cccc(F)n1 ZINC000851941084 1123391228 /nfs/dbraw/zinc/39/12/28/1123391228.db2.gz WQTNPPHRJOBTQB-INIZCTEOSA-N 0 1 270.351 3.558 20 0 CHADMN C[C@]1(c2ccc(F)cc2)CCN(Cc2cccc(F)n2)C1 ZINC000852006776 1123393275 /nfs/dbraw/zinc/39/32/75/1123393275.db2.gz TULRGMDRRZANBR-KRWDZBQOSA-N 0 1 288.341 3.523 20 0 CHADMN CC(C)(CO)[C@H](NCC=C(Cl)Cl)c1cccs1 ZINC000852050971 1123394978 /nfs/dbraw/zinc/39/49/78/1123394978.db2.gz AJZKPUXWOQALCI-LLVKDONJSA-N 0 1 294.247 3.716 20 0 CHADMN C[C@H](NCC=C(Cl)Cl)[C@H]1OCCc2sccc21 ZINC000852078967 1123395519 /nfs/dbraw/zinc/39/55/19/1123395519.db2.gz XICBBKLJXBZJPT-QPUJVOFHSA-N 0 1 292.231 3.659 20 0 CHADMN Fc1cncc(CN[C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000335694457 1123396176 /nfs/dbraw/zinc/39/61/76/1123396176.db2.gz BHSROHRIWKRQJS-OAHLLOKOSA-N 0 1 276.742 3.651 20 0 CHADMN CC1=C(C)C[N@@H+]([C@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000335699607 1123397323 /nfs/dbraw/zinc/39/73/23/1123397323.db2.gz JSJNTPKMMUCASJ-CQSZACIVSA-N 0 1 283.375 3.840 20 0 CHADMN CC1=C(C)CN([C@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000335699607 1123397326 /nfs/dbraw/zinc/39/73/26/1123397326.db2.gz JSJNTPKMMUCASJ-CQSZACIVSA-N 0 1 283.375 3.840 20 0 CHADMN O=C(c1cccc(CN2C[C@@H]3CCCC[C@@H]32)c1)C(F)(F)F ZINC000852219464 1123400750 /nfs/dbraw/zinc/40/07/50/1123400750.db2.gz OMEBZYDMAAOHCX-KBPBESRZSA-N 0 1 297.320 3.806 20 0 CHADMN C[C@@]1(c2cccc(F)c2)CCN(Cc2cccc(F)n2)C1 ZINC000852208829 1123400762 /nfs/dbraw/zinc/40/07/62/1123400762.db2.gz JHQDTKIFPFKRMU-QGZVFWFLSA-N 0 1 288.341 3.523 20 0 CHADMN O=c1cc(C2CCC2)[nH]n1Cc1ccc(C(F)(F)F)cc1 ZINC000634591195 1129119329 /nfs/dbraw/zinc/11/93/29/1129119329.db2.gz WDJXXBWXKLCQPH-UHFFFAOYSA-N 0 1 296.292 3.594 20 0 CHADMN CSc1ccc(CN2CCC[C@@H](OC3CCC3)C2)o1 ZINC000895185612 1123401721 /nfs/dbraw/zinc/40/17/21/1123401721.db2.gz BGXPCIWYTACJCF-CYBMUJFWSA-N 0 1 281.421 3.535 20 0 CHADMN Fc1cc(CN2CC[C@]3(CC3(F)F)C2)ccc1C(F)F ZINC000895188464 1123401928 /nfs/dbraw/zinc/40/19/28/1123401928.db2.gz LFMOHUNSBKHFTQ-ZDUSSCGKSA-N 0 1 291.263 3.994 20 0 CHADMN Cc1oncc1CN(Cc1ccsc1)C(C)(C)C ZINC000852312122 1123402334 /nfs/dbraw/zinc/40/23/34/1123402334.db2.gz WBRIMFZEWABFLD-UHFFFAOYSA-N 0 1 264.394 3.845 20 0 CHADMN CCCC1=NN(c2nc3ccccc3s2)C(=O)[C@H]1CC ZINC000634585823 1129119395 /nfs/dbraw/zinc/11/93/95/1129119395.db2.gz TVMOZTDQJZHIQW-JTQLQIEISA-N 0 1 287.388 3.825 20 0 CHADMN CC[C@@H](NCc1cn2ccnc2s1)c1ccccc1F ZINC000895201125 1123406646 /nfs/dbraw/zinc/40/66/46/1123406646.db2.gz XYTSAPFQPDNIRA-CQSZACIVSA-N 0 1 289.379 3.776 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)o1 ZINC000852596556 1123409784 /nfs/dbraw/zinc/40/97/84/1123409784.db2.gz MKNPARFTJFMTMT-HUUCEWRRSA-N 0 1 292.423 3.579 20 0 CHADMN CCCCC[C@@H]1CCCCN1Cc1nccc(C)n1 ZINC000852711559 1123412804 /nfs/dbraw/zinc/41/28/04/1123412804.db2.gz GEHMCCJUOLWHOY-OAHLLOKOSA-N 0 1 261.413 3.720 20 0 CHADMN CC[C@@H]1CCC[C@H](C)N1Cc1ncc(C(C)C)o1 ZINC000852712902 1123413850 /nfs/dbraw/zinc/41/38/50/1123413850.db2.gz ZCCCRWHMOBXDEX-QWHCGFSZSA-N 0 1 250.386 3.951 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc3c(c2)CCCO3)nc1 ZINC000852781839 1123414846 /nfs/dbraw/zinc/41/48/46/1123414846.db2.gz RNGYQRGVHNSRIK-CQSZACIVSA-N 0 1 282.387 3.566 20 0 CHADMN Cc1ccc(N2CCN([C@H](C)c3ccncc3)CC2)c(C)c1 ZINC000852743032 1123415097 /nfs/dbraw/zinc/41/50/97/1123415097.db2.gz RFHGQRAAHIODKP-QGZVFWFLSA-N 0 1 295.430 3.582 20 0 CHADMN CC12CC(C1)CN2Cc1cc2ccccc2c(Cl)n1 ZINC000852785861 1123416135 /nfs/dbraw/zinc/41/61/35/1123416135.db2.gz IBYAFEZSQDQARN-UHFFFAOYSA-N 0 1 272.779 3.873 20 0 CHADMN Oc1cccc2c1CC[C@@H]2NCc1sccc1Cl ZINC000335727990 1123418081 /nfs/dbraw/zinc/41/80/81/1123418081.db2.gz QKXZWAXWEHRXIH-LBPRGKRZSA-N 0 1 279.792 3.884 20 0 CHADMN CCCCCC[C@@](C)(CC)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853220346 1123428099 /nfs/dbraw/zinc/42/80/99/1123428099.db2.gz LADWURJIYWPZTJ-SWLSCSKDSA-N 0 1 281.400 3.796 20 0 CHADMN CCC[C@@H](CC1CCCCC1)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853220732 1123428382 /nfs/dbraw/zinc/42/83/82/1123428382.db2.gz PDFBQCNEESAHBL-JSGCOSHPSA-N 0 1 293.411 3.796 20 0 CHADMN Fc1ccc(/C=C/CNCc2ccc(F)cc2F)cc1 ZINC001648959712 1123434442 /nfs/dbraw/zinc/43/44/42/1123434442.db2.gz FJCYNNOBEOJIHV-OWOJBTEDSA-N 0 1 277.289 3.907 20 0 CHADMN Cc1cc2ccccc2nc1N1N=C2CC[C@@H](C)C[C@@H]2C1=O ZINC000634615799 1129121438 /nfs/dbraw/zinc/12/14/38/1129121438.db2.gz RMTXQRLUDBMRGJ-RISCZKNCSA-N 0 1 293.370 3.682 20 0 CHADMN Cc1nc2c(s1)[C@@H](N(C)Cc1cccc(C)n1)CCC2 ZINC000335800678 1123435813 /nfs/dbraw/zinc/43/58/13/1123435813.db2.gz STCGADCQPVICRJ-HNNXBMFYSA-N 0 1 287.432 3.664 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)Nc1cccc(C)c1 ZINC000335814634 1123436066 /nfs/dbraw/zinc/43/60/66/1123436066.db2.gz PPLQCYDWCSCTDX-UHFFFAOYSA-N 0 1 280.278 3.608 20 0 CHADMN O=C1[C@H]2CCCCCCC2=NN1c1cccc2cnccc21 ZINC000634623020 1129121631 /nfs/dbraw/zinc/12/16/31/1129121631.db2.gz VKXNQHGDMJALNK-HNNXBMFYSA-N 0 1 293.370 3.908 20 0 CHADMN O=c1c2c([nH]n1-c1cccc3cnccc31)CCCCCC2 ZINC000634623020 1129121632 /nfs/dbraw/zinc/12/16/32/1129121632.db2.gz VKXNQHGDMJALNK-HNNXBMFYSA-N 0 1 293.370 3.908 20 0 CHADMN CC(C)CCN(Cc1cccnc1Cl)C1CC1 ZINC000111478509 1123444884 /nfs/dbraw/zinc/44/48/84/1123444884.db2.gz AWRBUMFUCZCISJ-UHFFFAOYSA-N 0 1 252.789 3.746 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000443612402 1123445169 /nfs/dbraw/zinc/44/51/69/1123445169.db2.gz FLYYRDDRFUWQCH-CQSZACIVSA-N 0 1 291.439 3.985 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000443636858 1123453877 /nfs/dbraw/zinc/45/38/77/1123453877.db2.gz DJRZUNBNLISXJK-UPJWGTAASA-N 0 1 279.428 3.796 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000443636857 1123454223 /nfs/dbraw/zinc/45/42/23/1123454223.db2.gz DJRZUNBNLISXJK-JHJVBQTASA-N 0 1 279.428 3.796 20 0 CHADMN CCOc1ccc(CN2CCC(c3ccco3)CC2)o1 ZINC000895318908 1123454272 /nfs/dbraw/zinc/45/42/72/1123454272.db2.gz IFNJNCSYAHPLIR-UHFFFAOYSA-N 0 1 275.348 3.651 20 0 CHADMN Clc1nccc2cc(CN3CC[C@@H]4C[C@@H]4C3)sc21 ZINC000895326790 1123456360 /nfs/dbraw/zinc/45/63/60/1123456360.db2.gz GSCOIVVUYIZABB-MWLCHTKSSA-N 0 1 278.808 3.792 20 0 CHADMN CC(C)CCc1noc(CN2CC[C@H](C)C[C@H](C)C2)n1 ZINC000443637825 1123456418 /nfs/dbraw/zinc/45/64/18/1123456418.db2.gz HFSWXSWDSCHSJL-KBPBESRZSA-N 0 1 279.428 3.526 20 0 CHADMN C[C@@]1(C(N)=O)CCCC[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000335888314 1123459209 /nfs/dbraw/zinc/45/92/09/1123459209.db2.gz AIHCHEVHJOFIJI-YPMHNXCESA-N 0 1 274.355 3.592 20 0 CHADMN C[C@]1(C(N)=O)CCCC[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000335888313 1123459232 /nfs/dbraw/zinc/45/92/32/1123459232.db2.gz AIHCHEVHJOFIJI-WCQYABFASA-N 0 1 274.355 3.592 20 0 CHADMN Clc1ccccc1O[C@@H]1CCN([C@H]2C=CCCC2)C1 ZINC000443654691 1123462356 /nfs/dbraw/zinc/46/23/56/1123462356.db2.gz XURDMGSHUKIPPS-UONOGXRCSA-N 0 1 277.795 3.902 20 0 CHADMN Cc1ccnc(NCc2nnc(C3CC3)s2)c1C1CC1 ZINC000895347267 1123463015 /nfs/dbraw/zinc/46/30/15/1123463015.db2.gz DWLLQOMYRDBXMB-UHFFFAOYSA-N 0 1 286.404 3.608 20 0 CHADMN [O-]c1cccc2c(NCCC3SCCS3)cc[nH+]c12 ZINC000853961274 1123463588 /nfs/dbraw/zinc/46/35/88/1123463588.db2.gz VITGJWPYXLQMQL-UHFFFAOYSA-N 0 1 292.429 3.549 20 0 CHADMN Cc1ccnc(NCc2cnc(F)c(C)c2)c1C1CC1 ZINC000895348011 1123463689 /nfs/dbraw/zinc/46/36/89/1123463689.db2.gz YTTGFFPQKNLLNR-UHFFFAOYSA-N 0 1 271.339 3.722 20 0 CHADMN C[C@@H]1CCN[C@H](c2nc(-c3ccc4occc4c3)no2)C1 ZINC001211880297 1123465300 /nfs/dbraw/zinc/46/53/00/1123465300.db2.gz CROBZORIWSIRGY-MFKMUULPSA-N 0 1 283.331 3.543 20 0 CHADMN C[C@H]1CCN(Cc2noc(-c3ccccc3)n2)C[C@H](C)C1 ZINC000443660299 1123466255 /nfs/dbraw/zinc/46/62/55/1123466255.db2.gz QZHUFIBNNDXRRY-UONOGXRCSA-N 0 1 285.391 3.605 20 0 CHADMN CCOc1ccc(CNCc2cc(C)cc(C)c2)o1 ZINC000895358332 1123466874 /nfs/dbraw/zinc/46/68/74/1123466874.db2.gz RXADCCYONJPGOM-UHFFFAOYSA-N 0 1 259.349 3.585 20 0 CHADMN CC[C@@H](NC)c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000854154017 1123470976 /nfs/dbraw/zinc/47/09/76/1123470976.db2.gz BYAPIRWVGYKGMN-CYBMUJFWSA-N 0 1 273.380 3.705 20 0 CHADMN FC(F)(F)c1nc(CNCCCC2CCC2)cs1 ZINC000895381126 1123472545 /nfs/dbraw/zinc/47/25/45/1123472545.db2.gz RAOWWYMBLVLPMP-UHFFFAOYSA-N 0 1 278.343 3.832 20 0 CHADMN CSCCC(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000111991025 1123472786 /nfs/dbraw/zinc/47/27/86/1123472786.db2.gz NEEDJXXNVNNCSO-QMMMGPOBSA-N 0 1 298.795 3.574 20 0 CHADMN CCN(C(=O)c1ccc(Cl)cc1O)c1ccc(F)cc1 ZINC000052077021 1123477056 /nfs/dbraw/zinc/47/70/56/1123477056.db2.gz QHKKFYRJWGLGTR-UHFFFAOYSA-N 0 1 293.725 3.851 20 0 CHADMN CCC[C@@](C)(CC)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000474196987 1123485874 /nfs/dbraw/zinc/48/58/74/1123485874.db2.gz JXUFIJZSWRPENU-XJKSGUPXSA-N 0 1 296.480 3.683 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnn(C2CCC2)c1)c1ccncc1 ZINC000925128722 1123488356 /nfs/dbraw/zinc/48/83/56/1123488356.db2.gz GGDXLSHYFDZQIV-SUMWQHHRSA-N 0 1 284.407 3.805 20 0 CHADMN COc1ccccc1CN(Cc1ccccn1)CC(C)C ZINC000729542858 1123489205 /nfs/dbraw/zinc/48/92/05/1123489205.db2.gz YPPMOFFZYTWPLI-UHFFFAOYSA-N 0 1 284.403 3.748 20 0 CHADMN Fc1cccc2c(CN3CCCC[C@H](F)C3)c[nH]c21 ZINC001137051058 1123489647 /nfs/dbraw/zinc/48/96/47/1123489647.db2.gz CWXHFGYSGICAEI-LBPRGKRZSA-N 0 1 264.319 3.631 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)C(C)(C)C)c1nccn1C ZINC000070444222 1123492664 /nfs/dbraw/zinc/49/26/64/1123492664.db2.gz ISHTVEMHBWRRGZ-ZFWWWQNUSA-N 0 1 271.408 3.858 20 0 CHADMN FC[C@H]1CCN(Cc2ccsc2C(F)(F)F)C1 ZINC000895568303 1123493121 /nfs/dbraw/zinc/49/31/21/1123493121.db2.gz NYWTZLUJAOSCSE-MRVPVSSYSA-N 0 1 267.291 3.558 20 0 CHADMN Clc1cscc1CN1CC[C@H](c2nccs2)C1 ZINC000895580660 1123495444 /nfs/dbraw/zinc/49/54/44/1123495444.db2.gz IIQVADIECUNPCF-VIFPVBQESA-N 0 1 284.837 3.848 20 0 CHADMN CC[C@@](C)(NCc1ccc(OC)o1)c1ccc(F)cc1 ZINC000895694419 1123505569 /nfs/dbraw/zinc/50/55/69/1123505569.db2.gz UTDHJGCNPNXURH-MRXNPFEDSA-N 0 1 277.339 3.842 20 0 CHADMN C[C@H]1CCCC[C@H]1N(C)Cc1noc(-c2ccccc2)n1 ZINC000114713664 1123506385 /nfs/dbraw/zinc/50/63/85/1123506385.db2.gz YXFCEUZBORNODZ-DZGCQCFKSA-N 0 1 285.391 3.747 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)c1 ZINC000634697336 1129125991 /nfs/dbraw/zinc/12/59/91/1129125991.db2.gz HAGPNIHMKACKGM-MRXNPFEDSA-N 0 1 287.403 3.787 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H](C3CCC3)CC2)oc1C(=O)[O-] ZINC000634697886 1129126104 /nfs/dbraw/zinc/12/61/04/1129126104.db2.gz VJOCQNDDZDXBQI-AWEZNQCLSA-N 0 1 291.391 3.688 20 0 CHADMN C[C@@H](NC1CCC(c2ccc(O)cc2)CC1)C(F)F ZINC000895730334 1123508984 /nfs/dbraw/zinc/50/89/84/1123508984.db2.gz QFELGUCSBZEXFZ-XSRFYTQQSA-N 0 1 269.335 3.662 20 0 CHADMN CSc1ccc(CNCc2cccc(F)c2F)cc1 ZINC000237327448 1123509251 /nfs/dbraw/zinc/50/92/51/1123509251.db2.gz SHFCUMSIKMGBIK-UHFFFAOYSA-N 0 1 279.355 3.977 20 0 CHADMN CC(C)c1ccc(CCN[C@@H](C)c2ncco2)cc1 ZINC000895766303 1123510627 /nfs/dbraw/zinc/51/06/27/1123510627.db2.gz RKSCMVRZOKFYRC-ZDUSSCGKSA-N 0 1 258.365 3.691 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)N1CCO[C@H](C(F)F)CC1 ZINC000634754332 1129126659 /nfs/dbraw/zinc/12/66/59/1129126659.db2.gz ZLHJWYHEQDVPQD-KBPBESRZSA-N 0 1 287.325 3.633 20 0 CHADMN CN(CC1CC1)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000053184728 1123525332 /nfs/dbraw/zinc/52/53/32/1123525332.db2.gz UBPUGNWZHSFQFJ-SFHVURJKSA-N 0 1 294.398 3.708 20 0 CHADMN CN(CCCF)Cc1cc(C(F)(F)F)ccc1F ZINC000895897555 1123526855 /nfs/dbraw/zinc/52/68/55/1123526855.db2.gz BRYNLKWEVPVMFE-UHFFFAOYSA-N 0 1 267.241 3.636 20 0 CHADMN Fc1ccc2occ(CN3CC[C@@H](C(F)(F)F)C3)c2c1 ZINC001141854665 1123529737 /nfs/dbraw/zinc/52/97/37/1123529737.db2.gz LBKAPHWSASMKJA-SNVBAGLBSA-N 0 1 287.256 3.956 20 0 CHADMN Cc1ccsc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474444217 1123530933 /nfs/dbraw/zinc/53/09/33/1123530933.db2.gz GTMSZYIFSASDCS-UHFFFAOYSA-N 0 1 285.727 3.807 20 0 CHADMN Cc1c[nH]c(CN[C@H]2CCc3cccc4cccc2c43)n1 ZINC000895933151 1123532038 /nfs/dbraw/zinc/53/20/38/1123532038.db2.gz BETAQPODIIGUER-INIZCTEOSA-N 0 1 277.371 3.648 20 0 CHADMN C[C@H](N[C@@H]1CCc2cccc3cccc1c32)c1cnccn1 ZINC000895933150 1123532504 /nfs/dbraw/zinc/53/25/04/1123532504.db2.gz BCXQSKIPHNIZHD-SUMWQHHRSA-N 0 1 289.382 3.968 20 0 CHADMN CC(C)c1nnc(CNCC[C@H]2CCCC2(F)F)s1 ZINC000895999211 1123539480 /nfs/dbraw/zinc/53/94/80/1123539480.db2.gz HPXSXRIZLOIJKA-SNVBAGLBSA-N 0 1 289.395 3.577 20 0 CHADMN CC(C)(C)c1nc(CN[C@@]23C[C@@H]2CCCC3)cs1 ZINC000631224897 1123558577 /nfs/dbraw/zinc/55/85/77/1123558577.db2.gz FZGLYBRKYYNUMA-NHYWBVRUSA-N 0 1 264.438 3.863 20 0 CHADMN CN(Cc1noc2c1CCCC2)[C@@H]1CCc2ccccc2C1 ZINC000114489817 1123565080 /nfs/dbraw/zinc/56/50/80/1123565080.db2.gz KJAUURMHOLKJRB-MRXNPFEDSA-N 0 1 296.414 3.543 20 0 CHADMN CC(C)[C@H](NCc1cn(C)nc1Cl)c1ccccc1 ZINC000856764851 1123567365 /nfs/dbraw/zinc/56/73/65/1123567365.db2.gz PRYQBCWMTHOSRG-AWEZNQCLSA-N 0 1 277.799 3.560 20 0 CHADMN CC[C@H](Cc1ccccc1)N(C)Cc1cn(C)nc1Cl ZINC000857024747 1123578913 /nfs/dbraw/zinc/57/89/13/1123578913.db2.gz ROWJUBNKVVAYSP-OAHLLOKOSA-N 0 1 291.826 3.527 20 0 CHADMN CCN(Cc1cn(C)nc1Cl)[C@@H](C)Cc1ccsc1 ZINC000857041278 1123580442 /nfs/dbraw/zinc/58/04/42/1123580442.db2.gz OMXQMBMVUOKATR-NSHDSACASA-N 0 1 297.855 3.588 20 0 CHADMN Cn1ccc(C2CCN(Cc3cc(Cl)cs3)CC2)n1 ZINC000896495055 1123589841 /nfs/dbraw/zinc/58/98/41/1123589841.db2.gz LQNNBEJEBDFLMR-UHFFFAOYSA-N 0 1 295.839 3.515 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cnc3ccccn23)cc1 ZINC000157695316 1129132089 /nfs/dbraw/zinc/13/20/89/1129132089.db2.gz BJSKOWJEIJBMHS-OAHLLOKOSA-N 0 1 279.387 3.836 20 0 CHADMN CC[C@@H]1c2ccsc2CCN1Cc1cnc2ccccn12 ZINC000157676623 1129132252 /nfs/dbraw/zinc/13/22/52/1129132252.db2.gz POBPOIUCXAZFDO-OAHLLOKOSA-N 0 1 297.427 3.905 20 0 CHADMN COc1cc(CN2CCC[C@H](C)C2)cc(Cl)c1OC ZINC000157687140 1129132396 /nfs/dbraw/zinc/13/23/96/1129132396.db2.gz WFIYNQTWZSFXQF-NSHDSACASA-N 0 1 283.799 3.589 20 0 CHADMN Cc1cccc(CN2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000613267627 1123604837 /nfs/dbraw/zinc/60/48/37/1123604837.db2.gz XQXVZVCODYBHQT-CQSZACIVSA-N 0 1 287.325 3.538 20 0 CHADMN CC(C(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1)=C1CCC1 ZINC000857685993 1123616172 /nfs/dbraw/zinc/61/61/72/1123616172.db2.gz ORKLVAUJOCWMND-UHFFFAOYSA-N 0 1 293.729 3.794 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1nnc(C(C)(C)C)o1 ZINC000115551794 1123618673 /nfs/dbraw/zinc/61/86/73/1123618673.db2.gz WQBRURADIPRJCC-HIFRSBDPSA-N 0 1 299.418 3.745 20 0 CHADMN CC(C)[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(F)cc1 ZINC000857845790 1123621045 /nfs/dbraw/zinc/62/10/45/1123621045.db2.gz BWZFRTKZHAWYDE-JKSUJKDBSA-N 0 1 287.382 3.913 20 0 CHADMN CCCOCc1ccccc1CN[C@H]1CCCc2c[nH]nc21 ZINC000857848371 1123621896 /nfs/dbraw/zinc/62/18/96/1123621896.db2.gz IFSNYQVGKYLDTH-KRWDZBQOSA-N 0 1 299.418 3.504 20 0 CHADMN CCCOCc1ccccc1CN[C@@H]1CCCc2c[nH]nc21 ZINC000857848372 1123621997 /nfs/dbraw/zinc/62/19/97/1123621997.db2.gz IFSNYQVGKYLDTH-QGZVFWFLSA-N 0 1 299.418 3.504 20 0 CHADMN Clc1cccc(Cl)c1CN[C@H]1CCCc2cn[nH]c21 ZINC000857851777 1123622083 /nfs/dbraw/zinc/62/20/83/1123622083.db2.gz QUPBCHFTOJUGCM-ZDUSSCGKSA-N 0 1 296.201 3.884 20 0 CHADMN c1n[nH]c2c1CCC[C@@H]2Nc1ccc2oc(C3CC3)nc2c1 ZINC000857862076 1123623448 /nfs/dbraw/zinc/62/34/48/1123623448.db2.gz XWZAZHCMWRMDCA-ZDUSSCGKSA-N 0 1 294.358 3.918 20 0 CHADMN Fc1ccc(C2(N[C@@H]3CCCc4c[nH]nc43)CCC2)cc1 ZINC000857862129 1123623516 /nfs/dbraw/zinc/62/35/16/1123623516.db2.gz YRJMXHYEYZPPGK-OAHLLOKOSA-N 0 1 285.366 3.595 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCO[C@H]2CCCC[C@H]2C)on1 ZINC000339008694 1123624219 /nfs/dbraw/zinc/62/42/19/1123624219.db2.gz LPUOEUVXKFFHIE-KBMXLJTQSA-N 0 1 292.423 3.715 20 0 CHADMN Cc1ccc(C2(N[C@H]3CCCc4c[nH]nc43)CCC2)cc1 ZINC000857873322 1123624405 /nfs/dbraw/zinc/62/44/05/1123624405.db2.gz WRMHNVZMCAXPQO-INIZCTEOSA-N 0 1 281.403 3.765 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H]1CCc2ccc(Cl)nc21 ZINC000857905322 1123625086 /nfs/dbraw/zinc/62/50/86/1123625086.db2.gz CWMJYAZBWPUMBD-SMDDNHRTSA-N 0 1 287.794 3.777 20 0 CHADMN CN(Cc1cc(Cl)cs1)[C@@H]1CCCc2c1cnn2C ZINC000194427817 1129134565 /nfs/dbraw/zinc/13/45/65/1129134565.db2.gz SBNJYJNDTJIEAG-CYBMUJFWSA-N 0 1 295.839 3.644 20 0 CHADMN C[C@@H](NCc1ccnc(F)c1)c1cccc(OC(F)F)c1 ZINC000858098306 1123631045 /nfs/dbraw/zinc/63/10/45/1123631045.db2.gz KHZIEEJAVYXDMP-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN O=C(Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1)C1CC1 ZINC000520689918 1123634158 /nfs/dbraw/zinc/63/41/58/1123634158.db2.gz FLHBTGJCLKSECR-UHFFFAOYSA-N 0 1 295.317 3.718 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccnc(F)c2)cc1F ZINC000858171328 1123635577 /nfs/dbraw/zinc/63/55/77/1123635577.db2.gz VAALGYODEYXSDK-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN C[C@H](N[C@@H](C)c1ccnn1C)c1cc2ccccc2o1 ZINC000192248749 1123637659 /nfs/dbraw/zinc/63/76/59/1123637659.db2.gz DMAMRAXXYMPFJB-RYUDHWBXSA-N 0 1 269.348 3.578 20 0 CHADMN CC(C)(C)C(C)(C)CNC(=O)c1ccc(O)c(Cl)c1 ZINC000389350918 1123638555 /nfs/dbraw/zinc/63/85/55/1123638555.db2.gz YVSRHGNZSCYGBY-UHFFFAOYSA-N 0 1 283.799 3.848 20 0 CHADMN COc1cncc(CN[C@H]2CCc3ccc(Cl)cc32)c1 ZINC000858321159 1123645226 /nfs/dbraw/zinc/64/52/26/1123645226.db2.gz UPUAGYSVNWDGJU-INIZCTEOSA-N 0 1 288.778 3.521 20 0 CHADMN Cc1csc([C@H](C)N[C@@H](C)[C@@H](O)c2ccc(C)cc2)n1 ZINC000858416170 1123652081 /nfs/dbraw/zinc/65/20/81/1123652081.db2.gz KCSZYCKRGSPEGZ-KCQAQPDRSA-N 0 1 290.432 3.533 20 0 CHADMN CC[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000522677328 1123660947 /nfs/dbraw/zinc/66/09/47/1123660947.db2.gz MXTWLVZQCDUCNN-AWEZNQCLSA-N 0 1 297.402 3.729 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccns2)c(C)c1 ZINC000858576090 1123663606 /nfs/dbraw/zinc/66/36/06/1123663606.db2.gz HUZKPWIRSXLSSP-VXGBXAGGSA-N 0 1 276.405 3.872 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccc(F)cc21)c1ccns1 ZINC000858577256 1123664670 /nfs/dbraw/zinc/66/46/70/1123664670.db2.gz JSUWNHJSOWELJL-TVQRCGJNSA-N 0 1 262.353 3.620 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cc(F)cc2F)c1ccns1 ZINC000858578307 1123665043 /nfs/dbraw/zinc/66/50/43/1123665043.db2.gz UNDWWTXKPYYJOL-ISVAXAHUSA-N 0 1 280.343 3.759 20 0 CHADMN C[C@H](N[C@H]1CCc2c1cc(F)cc2F)c1ccns1 ZINC000858578311 1123665092 /nfs/dbraw/zinc/66/50/92/1123665092.db2.gz UNDWWTXKPYYJOL-SDBXPKJASA-N 0 1 280.343 3.759 20 0 CHADMN CCCCCCN(CC)CC(=O)Nc1cccc(OC)c1 ZINC000071809491 1129137487 /nfs/dbraw/zinc/13/74/87/1129137487.db2.gz FLMSBXAJASQGKQ-UHFFFAOYSA-N 0 1 292.423 3.536 20 0 CHADMN Cn1cc(CN2CCC23CCC3)c(C2CCCCC2)n1 ZINC000346173403 1123669419 /nfs/dbraw/zinc/66/94/19/1123669419.db2.gz PMQRFBUJIBFGKR-UHFFFAOYSA-N 0 1 273.424 3.596 20 0 CHADMN CCc1cnc(CN(C)[C@@H]2CCc3ccccc3C2)s1 ZINC000346232751 1123673156 /nfs/dbraw/zinc/67/31/56/1123673156.db2.gz YPNVQLLYASPOBW-OAHLLOKOSA-N 0 1 286.444 3.695 20 0 CHADMN COCC1(C)CCN(Cc2ncc(C(C)C)s2)CC1 ZINC000346350214 1123680715 /nfs/dbraw/zinc/68/07/15/1123680715.db2.gz JOAYXIDJNPPODA-UHFFFAOYSA-N 0 1 282.453 3.515 20 0 CHADMN Clc1cccnc1CN(CCc1ccccc1)C1CC1 ZINC000859096417 1123684583 /nfs/dbraw/zinc/68/45/83/1123684583.db2.gz PEHHHILTALTNFA-UHFFFAOYSA-N 0 1 286.806 3.942 20 0 CHADMN CC(C)n1ccnc1CN[C@@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000348533396 1123686335 /nfs/dbraw/zinc/68/63/35/1123686335.db2.gz SPFBEAASFXRZRY-GLJUWKHASA-N 0 1 299.418 3.507 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2ccc(F)c(F)c2)CCCO1 ZINC000281212832 1123689700 /nfs/dbraw/zinc/68/97/00/1123689700.db2.gz BDLITHPBVZTLGF-WCQYABFASA-N 0 1 269.335 3.527 20 0 CHADMN CO[C@H]1CCC[C@H](CC(=O)Nc2cccc(Cl)c2O)C1 ZINC000281273868 1123692543 /nfs/dbraw/zinc/69/25/43/1123692543.db2.gz RJWKUMXFZBHYEE-QWRGUYRKSA-N 0 1 297.782 3.579 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cc(CO)ccc2F)s1 ZINC000859249158 1123692856 /nfs/dbraw/zinc/69/28/56/1123692856.db2.gz UFURUFHLTDYSBV-LLVKDONJSA-N 0 1 279.380 3.539 20 0 CHADMN CC[C@H](C)[C@](C)(O)CN[C@H](C)c1csc(C(C)C)n1 ZINC000346614227 1123698733 /nfs/dbraw/zinc/69/87/33/1123698733.db2.gz NCRUKKARRLUCGE-YWPYICTPSA-N 0 1 284.469 3.714 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H]1CCCc2c(O)cccc21 ZINC000671120912 1129139722 /nfs/dbraw/zinc/13/97/22/1129139722.db2.gz DMFBZMFBFXHLQY-WBMJQRKESA-N 0 1 298.386 3.524 20 0 CHADMN Cc1ccc(OC2CCN(Cc3cccc(C)n3)CC2)cc1 ZINC000346641435 1123703798 /nfs/dbraw/zinc/70/37/98/1123703798.db2.gz KUJQJZLZXFLZNB-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccccc2C(F)(F)F)n(C)n1 ZINC000284185299 1123710532 /nfs/dbraw/zinc/71/05/32/1123710532.db2.gz FYLURHHTFOYWRA-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN COc1cccc(C2CCN(C/C=C/Cl)CC2)c1 ZINC000194959491 1129140238 /nfs/dbraw/zinc/14/02/38/1129140238.db2.gz AAILBWOTXUBKND-FPYGCLRLSA-N 0 1 265.784 3.627 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NC1(c2ccc(Cl)cc2)CC1 ZINC000346801390 1123714047 /nfs/dbraw/zinc/71/40/47/1123714047.db2.gz SLCQVXVHPNRAND-NSHDSACASA-N 0 1 289.810 3.722 20 0 CHADMN C[C@H]1C[C@H](CCNCc2cocn2)CC(C)(C)C1 ZINC000443998170 1123719968 /nfs/dbraw/zinc/71/99/68/1123719968.db2.gz SXYYAAMHUYHDEP-STQMWFEESA-N 0 1 250.386 3.617 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cncc(F)c2)cc1 ZINC000346871880 1123728721 /nfs/dbraw/zinc/72/87/21/1123728721.db2.gz PAVRNUBBHQXZEL-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@@H](NCCOC1CCC1)c1c(F)cccc1Cl ZINC000346951498 1123735786 /nfs/dbraw/zinc/73/57/86/1123735786.db2.gz CKRRFZZZDPSLDA-SNVBAGLBSA-N 0 1 271.763 3.699 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1c(C)cc(C)nc1OC ZINC000346970797 1123737619 /nfs/dbraw/zinc/73/76/19/1123737619.db2.gz RIKBDTUBZMYQNR-AWEZNQCLSA-N 0 1 299.418 3.515 20 0 CHADMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cncc(F)c2)C1(CC)CC ZINC000346982730 1123738660 /nfs/dbraw/zinc/73/86/60/1123738660.db2.gz NYQBZRUEDZDCMS-HZPDHXFCSA-N 0 1 294.414 3.636 20 0 CHADMN CCN(Cc1c[nH]c2ccccc12)Cc1ccc(F)cn1 ZINC000346988340 1123739667 /nfs/dbraw/zinc/73/96/67/1123739667.db2.gz QTQORCHQIBINFS-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN COc1cccc(-c2nc(C[N@H+]3C[C@@H](C)C[C@H]3C)co2)c1 ZINC000639493776 1123750489 /nfs/dbraw/zinc/75/04/89/1123750489.db2.gz CSCMWZRPYPPFQW-QWHCGFSZSA-N 0 1 286.375 3.581 20 0 CHADMN O=C(CC1CC(F)(F)C1)Nc1cc(F)cc(Cl)c1O ZINC000336265437 1123755047 /nfs/dbraw/zinc/75/50/47/1123755047.db2.gz VSKWHEGIGVVBJW-UHFFFAOYSA-N 0 1 293.672 3.559 20 0 CHADMN Cc1ccoc1CN[C@H]1CCCOc2ccccc21 ZINC000336348197 1123764198 /nfs/dbraw/zinc/76/41/98/1123764198.db2.gz KKJGEYKJNYGPPE-AWEZNQCLSA-N 0 1 257.333 3.592 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCC(C)(F)F ZINC000861225259 1123772062 /nfs/dbraw/zinc/77/20/62/1123772062.db2.gz VKSPVSRYVYVARA-UHFFFAOYSA-N 0 1 294.301 3.506 20 0 CHADMN CSc1cccc(NC(=O)CN2CCCCCCC2)c1 ZINC000007486840 1123774850 /nfs/dbraw/zinc/77/48/50/1123774850.db2.gz UDBGTCOSMZYEAO-UHFFFAOYSA-N 0 1 292.448 3.613 20 0 CHADMN COc1cccc(-c2nc(CN(C)CCC3CC3)co2)c1 ZINC000639543787 1123777606 /nfs/dbraw/zinc/77/76/06/1123777606.db2.gz QCCCXOXOPJCQPE-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN CC(C)Oc1ccc([C@H](C)N[C@@H](C)c2ccncn2)cc1 ZINC000395786376 1123778100 /nfs/dbraw/zinc/77/81/00/1123778100.db2.gz HYPVETQPZGRISQ-KBPBESRZSA-N 0 1 285.391 3.676 20 0 CHADMN Cc1onc(-c2ccccc2)c1CN(C)Cc1ccncc1 ZINC001141979395 1123778205 /nfs/dbraw/zinc/77/82/05/1123778205.db2.gz SFROKQYWUMERAE-UHFFFAOYSA-N 0 1 293.370 3.677 20 0 CHADMN CN(C)[C@@H](CNC(=O)CCCC(C)(C)C)c1cccs1 ZINC000103427763 1123785922 /nfs/dbraw/zinc/78/59/22/1123785922.db2.gz ZRNNTMYFMCYLCS-ZDUSSCGKSA-N 0 1 296.480 3.683 20 0 CHADMN Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+](C)CCCC(=O)[O-] ZINC000042718056 1123787497 /nfs/dbraw/zinc/78/74/97/1123787497.db2.gz UPBANSQUFNUJOP-UHFFFAOYSA-N 0 1 291.435 3.898 20 0 CHADMN CSCC1CCN(Cc2ccc(SC)o2)CC1 ZINC000896940611 1123789880 /nfs/dbraw/zinc/78/98/80/1123789880.db2.gz IGGHJNWDAOYXPD-UHFFFAOYSA-N 0 1 271.451 3.577 20 0 CHADMN Cc1c(CN2CC=C(C(C)(C)C)CC2)ccnc1F ZINC000862254358 1123795481 /nfs/dbraw/zinc/79/54/81/1123795481.db2.gz YEBLRUWHROXMRV-UHFFFAOYSA-N 0 1 262.372 3.707 20 0 CHADMN Cc1nc(CN2C[C@@H](C)C[C@@H]2c2ccccc2)[nH]c1C ZINC000862365542 1123803129 /nfs/dbraw/zinc/80/31/29/1123803129.db2.gz BHFMBVBMNXBJQL-BLLLJJGKSA-N 0 1 269.392 3.610 20 0 CHADMN Cc1csc(CNCc2ccccc2OC(F)F)c1 ZINC000379251816 1123816325 /nfs/dbraw/zinc/81/63/25/1123816325.db2.gz CLXCLEQBBCLSCX-UHFFFAOYSA-N 0 1 283.343 3.948 20 0 CHADMN CC/C=C/CCN1CCn2c(Cl)ccc2[C@@H]1C ZINC000794446926 1123827706 /nfs/dbraw/zinc/82/77/06/1123827706.db2.gz UNGCBDOBFVPHDZ-ITKZLYELSA-N 0 1 252.789 3.874 20 0 CHADMN C[C@@H]1c2ccc(Cl)n2CCN1CCCC1CCOCC1 ZINC000794445071 1123828974 /nfs/dbraw/zinc/82/89/74/1123828974.db2.gz PEYLYTWBGQYWOU-CYBMUJFWSA-N 0 1 296.842 3.725 20 0 CHADMN C[N@@H+](Cc1cnc2ccccn12)[C@H]1CCCc2ccccc21 ZINC000532753793 1123829610 /nfs/dbraw/zinc/82/96/10/1123829610.db2.gz VFMKVWAEPWAVIR-SFHVURJKSA-N 0 1 291.398 3.844 20 0 CHADMN Cc1cc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)ccc1F ZINC000475279999 1123832529 /nfs/dbraw/zinc/83/25/29/1123832529.db2.gz LXSDJOSBCPVBNZ-ZYHUDNBSSA-N 0 1 275.289 3.907 20 0 CHADMN CC(C)(C)c1coc(CNc2nc(-c3ccccc3)no2)n1 ZINC000897176499 1123835132 /nfs/dbraw/zinc/83/51/32/1123835132.db2.gz YISAOKFDXGATRQ-UHFFFAOYSA-N 0 1 298.346 3.634 20 0 CHADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000475375353 1123853124 /nfs/dbraw/zinc/85/31/24/1123853124.db2.gz PROLZYFUILTESC-VXGBXAGGSA-N 0 1 274.339 3.711 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCCCO2)c1ccccn1 ZINC000192917326 1123866351 /nfs/dbraw/zinc/86/63/51/1123866351.db2.gz ULLNWRLXLKTOJN-UONOGXRCSA-N 0 1 298.386 3.655 20 0 CHADMN CSc1cccc(NC(=O)CN2[C@H](C)CCC[C@H]2C)c1 ZINC000009997564 1123867435 /nfs/dbraw/zinc/86/74/35/1123867435.db2.gz MWVCKORTAYOIIM-CHWSQXEVSA-N 0 1 292.448 3.610 20 0 CHADMN CCOC[C@@H]1CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000301298953 1123889918 /nfs/dbraw/zinc/88/99/18/1123889918.db2.gz TYTHGTQDPRQOCG-CYBMUJFWSA-N 0 1 288.366 3.627 20 0 CHADMN COc1cccc2c1CN(c1ccnc3cc(F)ccc31)C2 ZINC000864021955 1123910467 /nfs/dbraw/zinc/91/04/67/1123910467.db2.gz HYHIWFATVZZBHM-UHFFFAOYSA-N 0 1 294.329 3.903 20 0 CHADMN Fc1ccc2c(c1)nccc2NCc1cccc2c1OCC2 ZINC000864022153 1123910552 /nfs/dbraw/zinc/91/05/52/1123910552.db2.gz AAPLYTXWIBESIA-UHFFFAOYSA-N 0 1 294.329 3.921 20 0 CHADMN CCc1[nH]nc(Cl)c1CN1CC2(CC=CC2)[C@H]1C(C)C ZINC000864050429 1123914487 /nfs/dbraw/zinc/91/44/87/1123914487.db2.gz HJOFEFSYYSCZLD-CQSZACIVSA-N 0 1 293.842 3.802 20 0 CHADMN C[C@@H](NCc1cccc(N(C)C)c1)c1cccnc1Cl ZINC000119861512 1123917754 /nfs/dbraw/zinc/91/77/54/1123917754.db2.gz LUGCBJOOAZIUOH-GFCCVEGCSA-N 0 1 289.810 3.652 20 0 CHADMN CCOCCN(CC)c1cc(C)nc2ccc(F)cc21 ZINC000301654380 1123921133 /nfs/dbraw/zinc/92/11/33/1123921133.db2.gz HLAVRKMDFWVJLC-UHFFFAOYSA-N 0 1 276.355 3.545 20 0 CHADMN CC[C@H](C)[C@H](O)CNc1cc(C)nc2ccc(F)cc21 ZINC000301655411 1123921219 /nfs/dbraw/zinc/92/12/19/1123921219.db2.gz HOJLZLSMKQHQQG-MGPLVRAMSA-N 0 1 276.355 3.501 20 0 CHADMN Cc1cc(NC[C@@]2(C)CCCO2)c2cc(F)ccc2n1 ZINC000301672202 1123922209 /nfs/dbraw/zinc/92/22/09/1123922209.db2.gz OJWNNBPNLPUAMP-MRXNPFEDSA-N 0 1 274.339 3.663 20 0 CHADMN Cc1cc(N[C@@H](C)c2cnn(C)c2)c2cc(F)ccc2n1 ZINC000301683757 1123923496 /nfs/dbraw/zinc/92/34/96/1123923496.db2.gz SVSQQNZYNHPMCJ-NSHDSACASA-N 0 1 284.338 3.589 20 0 CHADMN Cc1sc(C)c2c1[nH]c([C@@H]1CCCS1)nc2=O ZINC000864354333 1123924386 /nfs/dbraw/zinc/92/43/86/1123924386.db2.gz DZRIRDAWDDLBNH-QMMMGPOBSA-N 0 1 266.391 3.582 20 0 CHADMN Cc1cc(NCC(C)(C)CCO)c2cc(F)ccc2n1 ZINC000301687020 1123924716 /nfs/dbraw/zinc/92/47/16/1123924716.db2.gz UXJZYDZSOWZUTC-UHFFFAOYSA-N 0 1 276.355 3.503 20 0 CHADMN Cc1sc(C)c2c1[nH]c(-c1ccc(C)c(C)n1)nc2=O ZINC000864356668 1123925077 /nfs/dbraw/zinc/92/50/77/1123925077.db2.gz XBVTVTUTZCCLCR-UHFFFAOYSA-N 0 1 285.372 3.693 20 0 CHADMN CCN(CC1CCC1)CN1c2cccc3cccc(c23)C1=O ZINC000794686493 1123928602 /nfs/dbraw/zinc/92/86/02/1123928602.db2.gz AMEKSXKUJZOHSV-UHFFFAOYSA-N 0 1 294.398 3.880 20 0 CHADMN Cc1cnc(=S)n(CN2CCC[C@H](C(C)(C)C)C2)c1 ZINC000794707635 1123939639 /nfs/dbraw/zinc/93/96/39/1123939639.db2.gz VWPARUKRQXMNCL-ZDUSSCGKSA-N 0 1 279.453 3.637 20 0 CHADMN CC[C@@H](CSC)N(C)c1ccnc2cc(F)ccc21 ZINC000301948315 1123945938 /nfs/dbraw/zinc/94/59/38/1123945938.db2.gz BJVXAEHRTLQYBB-LBPRGKRZSA-N 0 1 278.396 3.952 20 0 CHADMN Cc1ccnc(NC[C@@H](Nc2ccccc2)C(C)C)c1 ZINC000301994154 1123948954 /nfs/dbraw/zinc/94/89/54/1123948954.db2.gz RRYTZEOSYOQUQS-MRXNPFEDSA-N 0 1 269.392 3.939 20 0 CHADMN Cc1cc(CN[C@H](C)c2cnn(C(C)C)c2)c(C)o1 ZINC000120345228 1123955643 /nfs/dbraw/zinc/95/56/43/1123955643.db2.gz IKCLMZCSEPDNCL-GFCCVEGCSA-N 0 1 261.369 3.525 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(C(F)(F)F)s2)[nH]n1 ZINC000717925561 1129155883 /nfs/dbraw/zinc/15/58/83/1129155883.db2.gz XTQOBFRNSXYWBK-MRVPVSSYSA-N 0 1 289.326 3.649 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(C(F)(F)F)s2)n[nH]1 ZINC000717925561 1129155886 /nfs/dbraw/zinc/15/58/86/1129155886.db2.gz XTQOBFRNSXYWBK-MRVPVSSYSA-N 0 1 289.326 3.649 20 0 CHADMN C[C@@H](NCc1cccnc1F)c1ccc2c(c1)CCCC2 ZINC000794831377 1123962270 /nfs/dbraw/zinc/96/22/70/1123962270.db2.gz DBXGVZBKHUYILF-CYBMUJFWSA-N 0 1 284.378 3.950 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cccnc1F)CCC2 ZINC000794829212 1123962589 /nfs/dbraw/zinc/96/25/89/1123962589.db2.gz POROKCMWJNSRLJ-HNNXBMFYSA-N 0 1 274.314 3.527 20 0 CHADMN CCC[C@@H](NCc1cccnc1F)c1ccccc1 ZINC000794831001 1123963421 /nfs/dbraw/zinc/96/34/21/1123963421.db2.gz BDLYLXGIWXBBAB-OAHLLOKOSA-N 0 1 258.340 3.852 20 0 CHADMN COc1ccc(C[C@H](C)CNc2cccc(C)n2)cc1 ZINC000302241463 1123964581 /nfs/dbraw/zinc/96/45/81/1123964581.db2.gz NYBGGWUUWFLFIM-ZDUSSCGKSA-N 0 1 270.376 3.689 20 0 CHADMN CC(C)(C)c1csc(CNc2nccn2C2CC2)n1 ZINC000865293840 1123970602 /nfs/dbraw/zinc/97/06/02/1123970602.db2.gz YKPWECSXDPXVJZ-UHFFFAOYSA-N 0 1 276.409 3.584 20 0 CHADMN CC(=O)Nc1cccc(CNc2cc3c(cn2)CCCC3)c1 ZINC000865293098 1123970647 /nfs/dbraw/zinc/97/06/47/1123970647.db2.gz YNBXHFNHRUJYES-UHFFFAOYSA-N 0 1 295.386 3.531 20 0 CHADMN Cc1cc(N[C@@H]2C[C@@H]3OCCC[C@H]23)c2cc(F)ccc2n1 ZINC000302537119 1123972143 /nfs/dbraw/zinc/97/21/43/1123972143.db2.gz GTORXCRJDLCRCS-JLZZUVOBSA-N 0 1 286.350 3.662 20 0 CHADMN CN(C)[C@H](CNc1ccnc2c(F)cccc12)c1ccco1 ZINC000302680729 1123977594 /nfs/dbraw/zinc/97/75/94/1123977594.db2.gz OWDRRXAYSBSFCV-OAHLLOKOSA-N 0 1 299.349 3.682 20 0 CHADMN Cc1noc([C@H](C)NCCCCc2cccc(Cl)c2)n1 ZINC000621278335 1129157256 /nfs/dbraw/zinc/15/72/56/1129157256.db2.gz LCNFCXVDLAQGIV-NSHDSACASA-N 0 1 293.798 3.705 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(C(C)(C)O)cc2)c(C)o1 ZINC000278156337 1129158784 /nfs/dbraw/zinc/15/87/84/1129158784.db2.gz AMABIDCRUUQDKF-CYBMUJFWSA-N 0 1 287.403 3.975 20 0 CHADMN CC(C)(C)Oc1cccc(CN[C@H](CO)c2ccccc2)c1 ZINC000865465978 1123987220 /nfs/dbraw/zinc/98/72/20/1123987220.db2.gz NGRWYWMHJPPEKL-GOSISDBHSA-N 0 1 299.414 3.687 20 0 CHADMN COc1ncc(C[N@H+]2CCCC[C@H]2c2ccccc2)c(C)n1 ZINC000337213000 1123987259 /nfs/dbraw/zinc/98/72/59/1123987259.db2.gz WAJVVIVDHDWJOQ-KRWDZBQOSA-N 0 1 297.402 3.521 20 0 CHADMN COc1ncc(CN2CCCC[C@H]2c2ccccc2)c(C)n1 ZINC000337213000 1123987268 /nfs/dbraw/zinc/98/72/68/1123987268.db2.gz WAJVVIVDHDWJOQ-KRWDZBQOSA-N 0 1 297.402 3.521 20 0 CHADMN C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1cn(C2CC2)cn1 ZINC000865485264 1123988019 /nfs/dbraw/zinc/98/80/19/1123988019.db2.gz TZDCXVYOUCXULF-KPZWWZAWSA-N 0 1 299.393 3.770 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc3c(c2)CCCC3)nn1 ZINC000396608691 1123990259 /nfs/dbraw/zinc/99/02/59/1123990259.db2.gz DBUIUGOGESPMHF-CQSZACIVSA-N 0 1 281.403 3.515 20 0 CHADMN CC(C)[C@@H](O)C(C)(C)CNCc1nc(C(C)(C)C)cs1 ZINC000865508343 1123990368 /nfs/dbraw/zinc/99/03/68/1123990368.db2.gz DNFBGOYENXNGLC-CQSZACIVSA-N 0 1 298.496 3.573 20 0 CHADMN COc1cc(Cl)c(CN[C@@H](C)c2ccc[nH]2)cc1OC ZINC000865513687 1123991510 /nfs/dbraw/zinc/99/15/10/1123991510.db2.gz UBMDQDITUKGHCB-JTQLQIEISA-N 0 1 294.782 3.536 20 0 CHADMN Cc1cscc1CNCc1cnc(Cl)c(F)c1 ZINC000865546434 1123994102 /nfs/dbraw/zinc/99/41/02/1123994102.db2.gz ZLMIZOPVTNSZMN-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN CC(C)CN(C(=O)CN(C)C(C)C)c1ccc(Cl)cc1 ZINC000475493998 1123995048 /nfs/dbraw/zinc/99/50/48/1123995048.db2.gz HUGULMXQRCWQOW-UHFFFAOYSA-N 0 1 296.842 3.669 20 0 CHADMN CC[C@H](C)[C@@H](CNCc1c(Cl)cncc1Cl)OC ZINC000865584645 1123996691 /nfs/dbraw/zinc/99/66/91/1123996691.db2.gz ZEWHAZDYFFRFQU-TVQRCGJNSA-N 0 1 291.222 3.539 20 0 CHADMN Clc1csc(CNc2nccn2C2CC2)c1 ZINC000840886607 1123996737 /nfs/dbraw/zinc/99/67/37/1123996737.db2.gz IWLYMDXJIVINPJ-UHFFFAOYSA-N 0 1 253.758 3.545 20 0 CHADMN CC[C@@H](C)[C@@H](CNCc1c(Cl)cncc1Cl)OC ZINC000865584643 1123996852 /nfs/dbraw/zinc/99/68/52/1123996852.db2.gz ZEWHAZDYFFRFQU-NOZJJQNGSA-N 0 1 291.222 3.539 20 0 CHADMN COc1ccc([C@H](C)NCc2cncc(Cl)c2)cc1 ZINC000621272790 1129159981 /nfs/dbraw/zinc/15/99/81/1129159981.db2.gz CDGMPCWZKWMNMT-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN Cc1ccnc(CN[C@H]2CCCC23CC3)c1Br ZINC000865657745 1124002959 /nfs/dbraw/zinc/00/29/59/1124002959.db2.gz POVWMAWRFNLBQC-LBPRGKRZSA-N 0 1 295.224 3.575 20 0 CHADMN C[C@@H]1CC[C@@]2(CCN(Cc3cncc(Cl)c3)C2)C1 ZINC000621276314 1129160278 /nfs/dbraw/zinc/16/02/78/1129160278.db2.gz AWMMQVGWJLOZHB-IUODEOHRSA-N 0 1 264.800 3.747 20 0 CHADMN FC(F)(F)c1cnc(CNCC[C@H]2CCCS2)s1 ZINC000865725163 1124007667 /nfs/dbraw/zinc/00/76/67/1124007667.db2.gz UGCQANBLEHYHRL-MRVPVSSYSA-N 0 1 296.383 3.537 20 0 CHADMN CCc1csc(N[C@H](C)c2n[nH]c([C@H](C)CC)n2)n1 ZINC000865724111 1124008015 /nfs/dbraw/zinc/00/80/15/1124008015.db2.gz HLMYZEWOVQZTOJ-RKDXNWHRSA-N 0 1 279.413 3.510 20 0 CHADMN Cc1cc(CNCc2ccnc(F)c2)ccc1C(F)(F)F ZINC000865722197 1124008269 /nfs/dbraw/zinc/00/82/69/1124008269.db2.gz GMQVDFQUBBJFFC-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN COc1ccc2c(c1)C[N@@H+]([C@H](C)c1ccccc1)CC2 ZINC000261394292 1124009638 /nfs/dbraw/zinc/00/96/38/1124009638.db2.gz TVZGHQDNSSNXAR-CQSZACIVSA-N 0 1 267.372 3.815 20 0 CHADMN Cc1cc(CNCc2cnn3ccccc23)ccc1Cl ZINC000353041923 1124015076 /nfs/dbraw/zinc/01/50/76/1124015076.db2.gz YXKAAMHSDCIPKS-UHFFFAOYSA-N 0 1 285.778 3.586 20 0 CHADMN Cc1nc(C)c(CNCc2ccc(C(C)(C)C)o2)s1 ZINC000865814632 1124016331 /nfs/dbraw/zinc/01/63/31/1124016331.db2.gz MVNRPDIPFBMQFL-UHFFFAOYSA-N 0 1 278.421 3.940 20 0 CHADMN CC(C)Cn1nccc1CN[C@H](C)c1cc2cnccc2o1 ZINC000865854586 1124021481 /nfs/dbraw/zinc/02/14/81/1124021481.db2.gz QRDVMIFDSZTTMZ-CYBMUJFWSA-N 0 1 298.390 3.531 20 0 CHADMN COc1ccsc1CN[C@@H](C)c1cc2cnccc2o1 ZINC000865854004 1124021791 /nfs/dbraw/zinc/02/17/91/1124021791.db2.gz LLHSKLKRVHNFBZ-JTQLQIEISA-N 0 1 288.372 3.749 20 0 CHADMN COc1ccc(C)cc1NC(=O)c1ccc(O)c(Cl)c1 ZINC000019838664 1124040254 /nfs/dbraw/zinc/04/02/54/1124040254.db2.gz NIYXFOAHIVVDTG-UHFFFAOYSA-N 0 1 291.734 3.615 20 0 CHADMN C[C@@H]1CCc2ccc(F)cc2[C@H]1NCc1ccoc1 ZINC000866240338 1124040639 /nfs/dbraw/zinc/04/06/39/1124040639.db2.gz BTULYZMBYQIENQ-BZNIZROVSA-N 0 1 259.324 3.832 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3cccc4cccc2c43)on1 ZINC000866260528 1124042682 /nfs/dbraw/zinc/04/26/82/1124042682.db2.gz LLRXGGHTTWOJQF-QGZVFWFLSA-N 0 1 278.355 3.913 20 0 CHADMN C[C@H]1CCCCCN1Cc1nc(-c2ccccc2F)no1 ZINC000444626182 1124047112 /nfs/dbraw/zinc/04/71/12/1124047112.db2.gz RWTNMXAJOSJKMA-LBPRGKRZSA-N 0 1 289.354 3.640 20 0 CHADMN Cc1nccnc1CN[C@@H](CC(C)C)c1ccccc1 ZINC000621326659 1129162848 /nfs/dbraw/zinc/16/28/48/1129162848.db2.gz PVNQSWQWCDJZKJ-INIZCTEOSA-N 0 1 269.392 3.662 20 0 CHADMN CCc1cnc(CN(C)CCc2ccccc2CC)s1 ZINC000444649056 1124048225 /nfs/dbraw/zinc/04/82/25/1124048225.db2.gz KWLGETNZJRKERC-UHFFFAOYSA-N 0 1 288.460 3.942 20 0 CHADMN CN(Cc1nc(C2CCCCC2)cs1)C[C@@H]1CCOC1 ZINC000444649034 1124048409 /nfs/dbraw/zinc/04/84/09/1124048409.db2.gz KPEMUEJNOUVBPY-ZDUSSCGKSA-N 0 1 294.464 3.659 20 0 CHADMN C[C@H]1CCCC[C@@H]1N(C)Cc1ncc(Cl)s1 ZINC000444661880 1124049822 /nfs/dbraw/zinc/04/98/22/1124049822.db2.gz BFIDMGKYIMNURU-UWVGGRQHSA-N 0 1 258.818 3.807 20 0 CHADMN CSc1ccccc1[C@H](N[C@@H]1CCOC1)c1ccccc1 ZINC000866311396 1124049999 /nfs/dbraw/zinc/04/99/99/1124049999.db2.gz ZVQYCCDTFMESHH-CRAIPNDOSA-N 0 1 299.439 3.876 20 0 CHADMN F[C@@H]1COc2ccccc2[C@@H]1NC1CCC(F)(F)CC1 ZINC000866313135 1124050953 /nfs/dbraw/zinc/05/09/53/1124050953.db2.gz WUQHKQXYLTXCDX-OCCSQVGLSA-N 0 1 285.309 3.626 20 0 CHADMN CC[C@@H]1CCCC[C@H]1N(C)Cc1nc(CC(C)C)no1 ZINC000444664973 1124051197 /nfs/dbraw/zinc/05/11/97/1124051197.db2.gz SJLGZSFYETXQEG-ZIAGYGMSSA-N 0 1 279.428 3.669 20 0 CHADMN C[C@H](NCc1ccc(-c2ccsc2)cc1)c1cn[nH]c1 ZINC000444675706 1124052124 /nfs/dbraw/zinc/05/21/24/1124052124.db2.gz OJBDFKXTYCYJDW-LBPRGKRZSA-N 0 1 283.400 3.989 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1Cc1nncn1-c1ccccc1 ZINC000444668986 1124052757 /nfs/dbraw/zinc/05/27/57/1124052757.db2.gz VFYPDKNXNBIRIE-RDJZCZTQSA-N 0 1 298.434 3.668 20 0 CHADMN OCC[C@H](N[C@@H]1CCCc2c(F)cccc21)c1ccco1 ZINC000866342583 1124054788 /nfs/dbraw/zinc/05/47/88/1124054788.db2.gz WWQHNXUMKAOZTJ-CVEARBPZSA-N 0 1 289.350 3.509 20 0 CHADMN Cc1cncc(CN(C)Cc2cc(C)cc(C)c2)c1 ZINC000444692277 1124055442 /nfs/dbraw/zinc/05/54/42/1124055442.db2.gz BMRZOQOTEPEQRB-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN CC(C)Cn1ccnc1NCc1ccccc1OCC1CC1 ZINC000508507066 1124059154 /nfs/dbraw/zinc/05/91/54/1124059154.db2.gz TVDHEMZGTNZDDX-UHFFFAOYSA-N 0 1 299.418 3.940 20 0 CHADMN CC(C)[C@H](N[C@@H]1COCc2ccccc21)c1ccccn1 ZINC000866375614 1124059216 /nfs/dbraw/zinc/05/92/16/1124059216.db2.gz DMZABFZGCZKWTG-MSOLQXFVSA-N 0 1 282.387 3.640 20 0 CHADMN CC(C)c1noc([C@H](C)N2CCC[C@H](C(C)C)C2)n1 ZINC000444753441 1124060329 /nfs/dbraw/zinc/06/03/29/1124060329.db2.gz NNIUCTPKZCUXFQ-STQMWFEESA-N 0 1 265.401 3.622 20 0 CHADMN COc1ccc2c(c1)CC[C@@H]2NCc1noc2ccccc12 ZINC000866387917 1124061003 /nfs/dbraw/zinc/06/10/03/1124061003.db2.gz YQCAUZUABMMLQG-INIZCTEOSA-N 0 1 294.354 3.614 20 0 CHADMN CC(C)[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1ccccn1 ZINC000866389867 1124061138 /nfs/dbraw/zinc/06/11/38/1124061138.db2.gz PUJZWUYLJKAZML-BZSNNMDCSA-N 0 1 282.387 3.547 20 0 CHADMN Cc1cc(C(=O)CN2CCCC23CCC3)c(C)n1C1CC1 ZINC000444774801 1124062200 /nfs/dbraw/zinc/06/22/00/1124062200.db2.gz KIAYTRMFMIPSQS-UHFFFAOYSA-N 0 1 286.419 3.641 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2CCc3nc(Cl)ccc32)s1 ZINC000866456322 1124068202 /nfs/dbraw/zinc/06/82/02/1124068202.db2.gz XZYJHULRLFOLRU-LDYMZIIASA-N 0 1 293.823 3.838 20 0 CHADMN CCC[C@@H](NCc1ccnc(F)c1)c1ccsc1 ZINC000866473537 1124069643 /nfs/dbraw/zinc/06/96/43/1124069643.db2.gz FXMSZXXAYHHVFG-CYBMUJFWSA-N 0 1 264.369 3.913 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@H](OCC3CC3)C2)o1 ZINC000428385983 1124072656 /nfs/dbraw/zinc/07/26/56/1124072656.db2.gz CJPIAWAZNMYKKO-KMFMINBZSA-N 0 1 289.419 3.794 20 0 CHADMN CC[C@H](C)CN[C@@H](CO)c1c(Cl)cccc1Cl ZINC000475622761 1124073741 /nfs/dbraw/zinc/07/37/41/1124073741.db2.gz GESYIGAXTKAYMZ-CABZTGNLSA-N 0 1 276.207 3.663 20 0 CHADMN CCc1ccc(NC(=O)c2cn[nH]c2C(C)C)cc1C ZINC000445140085 1124074338 /nfs/dbraw/zinc/07/43/38/1124074338.db2.gz XRSSLJDYEYITBD-UHFFFAOYSA-N 0 1 271.364 3.656 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@H](C)c1cnc(C)s1 ZINC000631709827 1124075628 /nfs/dbraw/zinc/07/56/28/1124075628.db2.gz VWIWQGMWGFROSJ-MNOVXSKESA-N 0 1 275.421 3.821 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@@H]1NCc1noc2ccc(F)cc12 ZINC000866511154 1124076439 /nfs/dbraw/zinc/07/64/39/1124076439.db2.gz NEWRGYATSJTRCA-ADLMAVQZSA-N 0 1 296.345 3.990 20 0 CHADMN CCCCC[C@H]1CCC[N@H+]1Cc1ccc([S@](C)=O)cc1 ZINC000355229075 1124077501 /nfs/dbraw/zinc/07/75/01/1124077501.db2.gz YDLANDRGSKORLU-JXFKEZNVSA-N 0 1 293.476 3.969 20 0 CHADMN CCc1nc(CN2CCC[C@@H](C(C)(C)C)C2)cs1 ZINC000475626771 1124080100 /nfs/dbraw/zinc/08/01/00/1124080100.db2.gz RJTHDIRTRORIBS-GFCCVEGCSA-N 0 1 266.454 3.964 20 0 CHADMN CC(F)(F)C(C)(C)CN[C@@H]1c2ccccc2OC[C@@H]1F ZINC000866545360 1124081297 /nfs/dbraw/zinc/08/12/97/1124081297.db2.gz FTLKISINUNWHHF-WCQYABFASA-N 0 1 287.325 3.729 20 0 CHADMN Fc1ccc(-c2cc(-c3nc(-c4ccoc4)no3)[nH]n2)cc1 ZINC000445460128 1124085795 /nfs/dbraw/zinc/08/57/95/1124085795.db2.gz NHIUZYUTIQYGTD-UHFFFAOYSA-N 0 1 296.261 3.526 20 0 CHADMN Cc1ccc2cc([C@H](C)N[C@H](C)c3ccnn3C)oc2c1 ZINC000866613084 1124088287 /nfs/dbraw/zinc/08/82/87/1124088287.db2.gz FOMBPKBWQUYHOE-OLZOCXBDSA-N 0 1 283.375 3.887 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](C)c2cc3cnccc3o2)c(C)n1 ZINC000866621215 1124090336 /nfs/dbraw/zinc/09/03/36/1124090336.db2.gz PJCKBDJGSVQLAP-PWSUYJOCSA-N 0 1 296.374 3.646 20 0 CHADMN CCCc1ccc(CN[C@H](CO)c2ccsc2)s1 ZINC000621345187 1129166012 /nfs/dbraw/zinc/16/60/12/1129166012.db2.gz FQMSPCLFICWXAK-CQSZACIVSA-N 0 1 281.446 3.585 20 0 CHADMN CCCC[C@H](CC)CN1CCOC[C@H]1c1cccn1C ZINC000445790572 1124100140 /nfs/dbraw/zinc/10/01/40/1124100140.db2.gz NGAPBBAWHQOPSR-RDJZCZTQSA-N 0 1 278.440 3.615 20 0 CHADMN CN(Cc1ccn(-c2ccccc2F)n1)CC1CCCC1 ZINC000445804039 1124101019 /nfs/dbraw/zinc/10/10/19/1124101019.db2.gz XKCWZYYFVMAYFJ-UHFFFAOYSA-N 0 1 287.382 3.633 20 0 CHADMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1cnoc1C ZINC000445814156 1124101682 /nfs/dbraw/zinc/10/16/82/1124101682.db2.gz SADWAYBFXBTILK-BMIGLBTASA-N 0 1 294.782 3.502 20 0 CHADMN Cc1nc(CN[C@@H](CC(F)(F)F)C(C)C)c(C)s1 ZINC000445894379 1124106500 /nfs/dbraw/zinc/10/65/00/1124106500.db2.gz AYSHCIUPEGHUNM-JTQLQIEISA-N 0 1 280.359 3.827 20 0 CHADMN Cc1nc(CN[C@@H](CC(F)(F)F)C(C)C)sc1C ZINC000445896540 1124106262 /nfs/dbraw/zinc/10/62/62/1124106262.db2.gz JAGWRFKICSCSCW-JTQLQIEISA-N 0 1 280.359 3.827 20 0 CHADMN C[C@H](Cc1ccoc1)N[C@@H](CF)c1ccc(F)cc1 ZINC000631798315 1124106779 /nfs/dbraw/zinc/10/67/79/1124106779.db2.gz QQYZHHLHUCMAND-ABAIWWIYSA-N 0 1 265.303 3.650 20 0 CHADMN COCC[C@H](NCc1cccc2ncccc12)c1ccco1 ZINC000634974902 1129168440 /nfs/dbraw/zinc/16/84/40/1129168440.db2.gz MWMLFVHLMCFWJO-KRWDZBQOSA-N 0 1 296.370 3.695 20 0 CHADMN Cc1nc(CN(c2ccccc2)[C@@H](C)c2ccccc2)n[nH]1 ZINC000428430551 1124108678 /nfs/dbraw/zinc/10/86/78/1124108678.db2.gz NKQRNJZJQADPAF-AWEZNQCLSA-N 0 1 292.386 3.881 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCCCC(C)(C)C2)n1 ZINC000446068991 1124108821 /nfs/dbraw/zinc/10/88/21/1124108821.db2.gz JHONYRHKNRJWSB-CYBMUJFWSA-N 0 1 279.428 3.985 20 0 CHADMN Cc1ccc(NC(=O)CN2CCCCC(C)(C)C2)c(C)c1 ZINC000446085169 1124108902 /nfs/dbraw/zinc/10/89/02/1124108902.db2.gz VQZCCOMFAIGAQJ-UHFFFAOYSA-N 0 1 288.435 3.754 20 0 CHADMN CN(c1nc(CN2CCCCC(C)(C)C2)cs1)C1CC1 ZINC000446077226 1124109437 /nfs/dbraw/zinc/10/94/37/1124109437.db2.gz JIWBHXDMCVDNCH-UHFFFAOYSA-N 0 1 293.480 3.754 20 0 CHADMN FC(F)(F)c1cc2nc(-c3ccsc3)[nH]c2cn1 ZINC000446144253 1124110095 /nfs/dbraw/zinc/11/00/95/1124110095.db2.gz HGQQBKWOMCJYAS-UHFFFAOYSA-N 0 1 269.251 3.705 20 0 CHADMN COc1cc2[nH]c(-c3ccc(NC(C)=O)cc3)nc2cc1C ZINC000446155605 1124110134 /nfs/dbraw/zinc/11/01/34/1124110134.db2.gz GAELHGRECGINAX-UHFFFAOYSA-N 0 1 295.342 3.505 20 0 CHADMN Fc1cc(F)cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000446144051 1124110256 /nfs/dbraw/zinc/11/02/56/1124110256.db2.gz KOHCFWCLSGLWKY-UHFFFAOYSA-N 0 1 299.202 3.922 20 0 CHADMN CC(C)Oc1ccc(CC[C@@H](C)NCc2ccon2)cc1 ZINC000634954305 1129166769 /nfs/dbraw/zinc/16/67/69/1129166769.db2.gz ZUOPBPXTZQWEFN-CQSZACIVSA-N 0 1 288.391 3.573 20 0 CHADMN Cc1ccccc1C[C@H](C)N(C)C(=O)c1cc(C(C)C)[nH]n1 ZINC000446375971 1124113325 /nfs/dbraw/zinc/11/33/25/1124113325.db2.gz DFAGRINATJERTR-AWEZNQCLSA-N 0 1 299.418 3.545 20 0 CHADMN CC(C)c1nc(CN(C)[C@H](C)c2cc3ccccc3o2)n[nH]1 ZINC000428441119 1124113842 /nfs/dbraw/zinc/11/38/42/1124113842.db2.gz GTWCAVRLJGZBAX-GFCCVEGCSA-N 0 1 298.390 3.867 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2)C[C@H](c2ccc(F)cc2)O1 ZINC000525123820 1124115734 /nfs/dbraw/zinc/11/57/34/1124115734.db2.gz BWNMKJLQTSRLCM-RDTXWAMCSA-N 0 1 285.362 3.788 20 0 CHADMN C[C@H](NCc1ccc(CO)o1)c1ccccc1C(F)(F)F ZINC000525195093 1124117794 /nfs/dbraw/zinc/11/77/94/1124117794.db2.gz OGVNCLAKUWQOKM-JTQLQIEISA-N 0 1 299.292 3.642 20 0 CHADMN CCCc1nc(CN2CC[C@@H](C(C)C)C2)cs1 ZINC000446732636 1124119157 /nfs/dbraw/zinc/11/91/57/1124119157.db2.gz UMICNDPYVXYURF-GFCCVEGCSA-N 0 1 252.427 3.574 20 0 CHADMN CC(C)[C@H]1CCN(Cc2coc(-c3cccs3)n2)C1 ZINC000446724110 1124120237 /nfs/dbraw/zinc/12/02/37/1124120237.db2.gz BJBZUYKTCXCVQY-LBPRGKRZSA-N 0 1 276.405 3.881 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1csc2ccccc12 ZINC000446750570 1124120781 /nfs/dbraw/zinc/12/07/81/1124120781.db2.gz HSAWUJHHZZMLLV-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1[nH]c2ccc(CN[C@@H](C)c3nccnc3C)cc2c1C ZINC000446741733 1124121011 /nfs/dbraw/zinc/12/10/11/1124121011.db2.gz BXDHXCVBUFYZPJ-AWEZNQCLSA-N 0 1 294.402 3.734 20 0 CHADMN CCC1(CC)CCN(Cc2cc(-c3ccco3)on2)C1 ZINC000446735226 1124121516 /nfs/dbraw/zinc/12/15/16/1124121516.db2.gz OCOBRBAQTXFPMK-UHFFFAOYSA-N 0 1 274.364 3.947 20 0 CHADMN CC(C)CCc1noc(CN(CC2CCC2)C(C)C)n1 ZINC000193213079 1124124060 /nfs/dbraw/zinc/12/40/60/1124124060.db2.gz AFUKFVUURAFAAF-UHFFFAOYSA-N 0 1 279.428 3.669 20 0 CHADMN Clc1ccc(CCCNCc2ccon2)c(Cl)c1 ZINC000634966795 1129167537 /nfs/dbraw/zinc/16/75/37/1129167537.db2.gz YWIUOWTXBRQPJA-UHFFFAOYSA-N 0 1 285.174 3.704 20 0 CHADMN COc1ccc(F)cc1CN[C@@H]1CCc2ccccc21 ZINC000193339631 1124126231 /nfs/dbraw/zinc/12/62/31/1124126231.db2.gz MFFJGUQLPHTARJ-MRXNPFEDSA-N 0 1 271.335 3.611 20 0 CHADMN Cc1cnc([C@@H](C)N(C)CCCOc2ccccc2C)cn1 ZINC000428459638 1124129069 /nfs/dbraw/zinc/12/90/69/1124129069.db2.gz FSILEJGMUZDUDK-MRXNPFEDSA-N 0 1 299.418 3.555 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@H]2c2ccsc2)o1 ZINC000428459736 1124129392 /nfs/dbraw/zinc/12/93/92/1124129392.db2.gz MIBAATYFDVFHQK-ZDUSSCGKSA-N 0 1 276.405 3.944 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cnn(C(C)C)c2)c1 ZINC000446972917 1124130244 /nfs/dbraw/zinc/13/02/44/1124130244.db2.gz BEKIYVPFCZRZTH-UHFFFAOYSA-N 0 1 271.408 3.713 20 0 CHADMN C[C@@H](N[C@@H](c1cnn(C)c1)c1ccccc1)c1ccccc1 ZINC000360365080 1124130341 /nfs/dbraw/zinc/13/03/41/1124130341.db2.gz GBQGULRAGVIQQC-DNVCBOLYSA-N 0 1 291.398 3.860 20 0 CHADMN CC(C)c1nc(CN(C)Cc2ccc3ccccc3c2)n[nH]1 ZINC000428465204 1124131342 /nfs/dbraw/zinc/13/13/42/1124131342.db2.gz SNZCAORWZCVAPN-UHFFFAOYSA-N 0 1 294.402 3.713 20 0 CHADMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1cc(F)ccc1F ZINC000447095212 1124132797 /nfs/dbraw/zinc/13/27/97/1124132797.db2.gz BVZBHJUIMNFAKJ-UHFFFAOYSA-N 0 1 293.361 3.617 20 0 CHADMN CCc1ccc(CN[C@H](c2ccccc2)C(C)(C)CO)o1 ZINC000428469123 1124133716 /nfs/dbraw/zinc/13/37/16/1124133716.db2.gz IPRKXIUHNHEBHI-QGZVFWFLSA-N 0 1 287.403 3.691 20 0 CHADMN Fc1ccc2oc(CNC3(Cc4ccccc4)CC3)nc2c1 ZINC000634976177 1129168548 /nfs/dbraw/zinc/16/85/48/1129168548.db2.gz PLXOAFDPSGCXGM-UHFFFAOYSA-N 0 1 296.345 3.832 20 0 CHADMN Cc1coc(CNCc2ccc(C(F)(F)F)cc2)c1 ZINC000718091202 1129171202 /nfs/dbraw/zinc/17/12/02/1129171202.db2.gz COGBISBWGKANEQ-UHFFFAOYSA-N 0 1 269.266 3.897 20 0 CHADMN FC(F)(F)c1ccc(C2(NCc3cn[nH]c3)CCC2)cc1 ZINC000621351507 1129171314 /nfs/dbraw/zinc/17/13/14/1129171314.db2.gz VFMRKTHUDGZJSV-UHFFFAOYSA-N 0 1 295.308 3.598 20 0 CHADMN Cc1cc(F)cc(CN2C[C@H]3[C@H](CC3(F)F)C2)c1Cl ZINC001238775657 1131244803 /nfs/dbraw/zinc/24/48/03/1131244803.db2.gz CMHBITVULMBPRG-PWSUYJOCSA-N 0 1 289.728 3.875 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC001238782037 1131246709 /nfs/dbraw/zinc/24/67/09/1131246709.db2.gz ZTOZOJOOASUUEU-JOCQHMNTSA-N 0 1 285.790 3.523 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CC[C@]2(C1)CCCCO2 ZINC001238780078 1131246814 /nfs/dbraw/zinc/24/68/14/1131246814.db2.gz FCVIDTFGBIUDQY-INIZCTEOSA-N 0 1 297.801 3.933 20 0 CHADMN Cc1cc(F)cc(C[N@H+]2CCC[C@]23CCOC3)c1Cl ZINC001238781142 1131246880 /nfs/dbraw/zinc/24/68/80/1131246880.db2.gz KYJJYLIPHQPYHO-OAHLLOKOSA-N 0 1 283.774 3.542 20 0 CHADMN Cc1cc(F)cc(CN2CCC[C@]23CCOC3)c1Cl ZINC001238781142 1131246884 /nfs/dbraw/zinc/24/68/84/1131246884.db2.gz KYJJYLIPHQPYHO-OAHLLOKOSA-N 0 1 283.774 3.542 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001238786586 1131247255 /nfs/dbraw/zinc/24/72/55/1131247255.db2.gz HHPPKGZVPDVZBP-FZMZJTMJSA-N 0 1 295.785 3.589 20 0 CHADMN CCCCc1cc(=O)n(Cc2ccc(C(F)(F)F)cc2)[nH]1 ZINC001245926687 1131252118 /nfs/dbraw/zinc/25/21/18/1131252118.db2.gz DUMBMEFDDXNSTH-UHFFFAOYSA-N 0 1 298.308 3.998 20 0 CHADMN COc1cc(OC)cc([C@H](C)Nc2nccc(C)c2C)c1 ZINC001170931297 1131256587 /nfs/dbraw/zinc/25/65/87/1131256587.db2.gz SFUNJRDFJAEOOE-ZDUSSCGKSA-N 0 1 286.375 3.889 20 0 CHADMN Cc1cc(C)cc(C2=NN([C@H](C)C(F)(F)F)C(=O)C2)c1 ZINC001245949435 1131259388 /nfs/dbraw/zinc/25/93/88/1131259388.db2.gz PHDIQHDIGVKGMP-SNVBAGLBSA-N 0 1 284.281 3.996 20 0 CHADMN CCC(CC)c1cc(CNCc2ccc3nc[nH]c3c2)on1 ZINC000525708286 1124459526 /nfs/dbraw/zinc/45/95/26/1124459526.db2.gz COZZMIIIROHPQO-UHFFFAOYSA-N 0 1 298.390 3.744 20 0 CHADMN Cc1ccc(CN2CCC[C@H](n3cccn3)C2)c(Cl)c1 ZINC000447349715 1124466309 /nfs/dbraw/zinc/46/63/09/1124466309.db2.gz GPASJFQJDVJLGE-HNNXBMFYSA-N 0 1 289.810 3.682 20 0 CHADMN C[C@@H]1CN(CCSc2ccccc2F)C[C@@H](C)S1 ZINC000525785833 1124467004 /nfs/dbraw/zinc/46/70/04/1124467004.db2.gz CDEDKXLJKYCUBG-VXGBXAGGSA-N 0 1 285.453 3.744 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2snnc2C)s1 ZINC001119731554 1131263132 /nfs/dbraw/zinc/26/31/32/1131263132.db2.gz FHBOGBMKPOOHOV-RKDXNWHRSA-N 0 1 267.423 3.628 20 0 CHADMN CC(C)c1nc([C@H](C)NCc2ccc(C(F)F)cc2)n[nH]1 ZINC000525991383 1124492331 /nfs/dbraw/zinc/49/23/31/1124492331.db2.gz BLZAQAVXAIYTSP-JTQLQIEISA-N 0 1 294.349 3.717 20 0 CHADMN Cc1cc([C@@H](C)NCc2nc3ccc(C)cc3[nH]2)c(C)o1 ZINC000447564073 1124492800 /nfs/dbraw/zinc/49/28/00/1124492800.db2.gz UQVQEWWFOBKHCK-GFCCVEGCSA-N 0 1 283.375 3.932 20 0 CHADMN CC(C)c1ccccc1CN[C@H](CO)c1ccsc1 ZINC001119819648 1131264986 /nfs/dbraw/zinc/26/49/86/1131264986.db2.gz SCAOFNIAJPODFC-MRXNPFEDSA-N 0 1 275.417 3.695 20 0 CHADMN CN(Cc1cnc(C(F)(F)F)s1)CC(C)(C)C ZINC000447731601 1124513573 /nfs/dbraw/zinc/51/35/73/1124513573.db2.gz NGTAOXFMCZFZQV-UHFFFAOYSA-N 0 1 266.332 3.640 20 0 CHADMN C[C@@H](C1CC1)N(Cc1cnc(C(F)(F)F)s1)C1CC1 ZINC000447735517 1124516617 /nfs/dbraw/zinc/51/66/17/1124516617.db2.gz FGOCNUABQLTYME-QMMMGPOBSA-N 0 1 290.354 3.925 20 0 CHADMN CC[C@@H](C)CN(C)Cc1cnc(C(F)(F)F)s1 ZINC000447734863 1124517161 /nfs/dbraw/zinc/51/71/61/1124517161.db2.gz ZTIRWTGRXDXTKX-MRVPVSSYSA-N 0 1 266.332 3.640 20 0 CHADMN C=Cn1cc(CN(CCC)Cc2ccc(F)cc2)cn1 ZINC000447748601 1124521377 /nfs/dbraw/zinc/52/13/77/1124521377.db2.gz XFSKSQOWBHFNEX-UHFFFAOYSA-N 0 1 273.355 3.535 20 0 CHADMN Cc1ccccc1Cc1noc([C@@H](C)N2CCCCCC2)n1 ZINC000526954282 1124528819 /nfs/dbraw/zinc/52/88/19/1124528819.db2.gz KROVIEXHINNFAG-OAHLLOKOSA-N 0 1 299.418 3.906 20 0 CHADMN CCCCc1nc(CN2CCCC[C@@H]2C[C@H](C)O)cs1 ZINC000447846462 1124532243 /nfs/dbraw/zinc/53/22/43/1124532243.db2.gz WPIIRRDZTGOQCR-DZGCQCFKSA-N 0 1 296.480 3.611 20 0 CHADMN c1[nH]c(CNCCOC2CCCCC2)nc1-c1ccccc1 ZINC000447831826 1124533456 /nfs/dbraw/zinc/53/34/56/1124533456.db2.gz OTUYHYNHQGGUSE-UHFFFAOYSA-N 0 1 299.418 3.516 20 0 CHADMN FC1(CN2CCC[C@H]2Cc2ccccc2Cl)CC1 ZINC000526969266 1124534951 /nfs/dbraw/zinc/53/49/51/1124534951.db2.gz CNCPLXMYYFFYOK-ZDUSSCGKSA-N 0 1 267.775 3.849 20 0 CHADMN Cc1ccc(C)c(-c2nc(-c3ccn4cncc4c3)no2)c1 ZINC000447963824 1124548815 /nfs/dbraw/zinc/54/88/15/1124548815.db2.gz LDFRFLOBZORSNV-UHFFFAOYSA-N 0 1 290.326 3.668 20 0 CHADMN c1ncn2ccc(-c3noc(CCC4CCCCC4)n3)cc12 ZINC000447959974 1124549048 /nfs/dbraw/zinc/54/90/48/1124549048.db2.gz VCWLCHGHZBWJMX-UHFFFAOYSA-N 0 1 296.374 3.897 20 0 CHADMN CCN(C)c1ccc(CNCc2cc3ccccc3o2)cn1 ZINC000190773906 1124564966 /nfs/dbraw/zinc/56/49/66/1124564966.db2.gz RHGFMSCQDMSJRK-UHFFFAOYSA-N 0 1 295.386 3.574 20 0 CHADMN CCCCNc1cc(C)nc(N[C@@H](C)c2cncs2)n1 ZINC001119983822 1131269723 /nfs/dbraw/zinc/26/97/23/1131269723.db2.gz RCXLTBRRMVIGID-NSHDSACASA-N 0 1 291.424 3.627 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@]3(C)CC=CCC3)cc2[nH]1 ZINC000448625464 1124599191 /nfs/dbraw/zinc/59/91/91/1124599191.db2.gz OISVURYTAQKCSI-MRXNPFEDSA-N 0 1 269.348 3.556 20 0 CHADMN CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000448622695 1124599798 /nfs/dbraw/zinc/59/97/98/1124599798.db2.gz AWSAWZIKWDKVKZ-YPMHNXCESA-N 0 1 271.364 3.636 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2scnc2Cl)n1 ZINC000871644507 1124622332 /nfs/dbraw/zinc/62/23/32/1124622332.db2.gz IDPZEGWDJUNCIA-UHFFFAOYSA-N 0 1 288.829 3.504 20 0 CHADMN CC(C)(C)c1nc(SCc2scnc2Cl)n[nH]1 ZINC000871644507 1124622333 /nfs/dbraw/zinc/62/23/33/1124622333.db2.gz IDPZEGWDJUNCIA-UHFFFAOYSA-N 0 1 288.829 3.504 20 0 CHADMN COc1nccnc1CN1CCCCC[C@H]1c1ccccc1 ZINC000449012963 1124628440 /nfs/dbraw/zinc/62/84/40/1124628440.db2.gz AABADOIIWRQBGF-KRWDZBQOSA-N 0 1 297.402 3.603 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1Cc1ccncc1F ZINC000449010121 1124632894 /nfs/dbraw/zinc/63/28/94/1124632894.db2.gz KISOESKSDLAYIH-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN COc1cc(C)ccc1C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000449029095 1124635205 /nfs/dbraw/zinc/63/52/05/1124635205.db2.gz PSAYIVHVRLKQCV-CQSZACIVSA-N 0 1 285.387 3.902 20 0 CHADMN COc1cc(C)ccc1CN(C)[C@H](C)c1cccc(O)c1 ZINC000449029095 1124635207 /nfs/dbraw/zinc/63/52/07/1124635207.db2.gz PSAYIVHVRLKQCV-CQSZACIVSA-N 0 1 285.387 3.902 20 0 CHADMN CC[C@H](Cc1cccc(C)c1)c1nc([C@@H]2CCCN2)no1 ZINC000871788293 1124637395 /nfs/dbraw/zinc/63/73/95/1124637395.db2.gz LGDUEKKMBFXVCZ-CABCVRRESA-N 0 1 285.391 3.539 20 0 CHADMN Cc1cc(CN[C@H]2COc3c2ccc(C)c3C)cs1 ZINC000449058700 1124639519 /nfs/dbraw/zinc/63/95/19/1124639519.db2.gz LJEPCZCYIUMZBR-HNNXBMFYSA-N 0 1 273.401 3.897 20 0 CHADMN CN(Cc1cc(Cl)sc1Cl)C[C@@H]1CCCOC1 ZINC000449020803 1124639685 /nfs/dbraw/zinc/63/96/85/1124639685.db2.gz AWVRMUUWRDVLRP-VIFPVBQESA-N 0 1 294.247 3.913 20 0 CHADMN CN(CCc1ccc(Cl)cc1)Cc1ccncc1F ZINC000449020627 1124639897 /nfs/dbraw/zinc/63/98/97/1124639897.db2.gz WJBBWRLBPGYFBL-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN c1cc(CN[C@@H]2CCOc3ccccc32)n(C2CCCC2)n1 ZINC000449061951 1124640821 /nfs/dbraw/zinc/64/08/21/1124640821.db2.gz XLDRWUSDRPNFIN-QGZVFWFLSA-N 0 1 297.402 3.612 20 0 CHADMN Cc1cnc(CN[C@H](C)COc2c(C)cccc2C)s1 ZINC000449098705 1124646513 /nfs/dbraw/zinc/64/65/13/1124646513.db2.gz QREWLNMDNUCEHU-CYBMUJFWSA-N 0 1 290.432 3.625 20 0 CHADMN c1cnc2cc(CNc3cc4c(cn3)CCCC4)ccc2n1 ZINC000871863753 1124648792 /nfs/dbraw/zinc/64/87/92/1124648792.db2.gz AXSJPIBOXSMNIB-UHFFFAOYSA-N 0 1 290.370 3.516 20 0 CHADMN Fc1cnccc1CN[C@H](c1ccccc1)C1CCC1 ZINC000449122611 1124652112 /nfs/dbraw/zinc/65/21/12/1124652112.db2.gz MEJNIBCTEFMLIQ-QGZVFWFLSA-N 0 1 270.351 3.852 20 0 CHADMN CC[C@H](C)[C@H](O)CNCc1cc(Cl)sc1Cl ZINC000449149941 1124656981 /nfs/dbraw/zinc/65/69/81/1124656981.db2.gz YBWPLJKRWKIMNN-IONNQARKSA-N 0 1 282.236 3.552 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2cc(O)ccc2F)c1 ZINC000872018727 1124658299 /nfs/dbraw/zinc/65/82/99/1124658299.db2.gz PLQCZTHBNNSUIS-LBPRGKRZSA-N 0 1 259.324 3.691 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cc(O)ccc2F)cc1 ZINC000872029207 1124660683 /nfs/dbraw/zinc/66/06/83/1124660683.db2.gz PAMANTOGKUCDBT-NEPJUHHUSA-N 0 1 289.350 3.952 20 0 CHADMN CC[C@@H](NCC1CCC(C(F)(F)F)CC1)C(F)F ZINC000449365382 1124701377 /nfs/dbraw/zinc/70/13/77/1124701377.db2.gz VQPVSNKTCNLGFI-UDNWOFFPSA-N 0 1 273.289 3.988 20 0 CHADMN COc1cc([C@H](C)NC/C=C(/C)Cl)cc(OC)c1OC ZINC000528435997 1124666028 /nfs/dbraw/zinc/66/60/28/1124666028.db2.gz XFBPQKUQJCILHG-YAEJEKNGSA-N 0 1 299.798 3.506 20 0 CHADMN COc1cccc2c1CC[C@@H]2NCc1cc2cccnc2o1 ZINC000449186308 1124667074 /nfs/dbraw/zinc/66/70/74/1124667074.db2.gz KNPQKALITYHYNU-INIZCTEOSA-N 0 1 294.354 3.614 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cc(F)cc(OC)c1 ZINC000449201354 1124672090 /nfs/dbraw/zinc/67/20/90/1124672090.db2.gz GRBPRZVBLJNJBX-LBPRGKRZSA-N 0 1 288.366 3.643 20 0 CHADMN C[C@@H](NCC1(C(F)(F)F)CC1)c1cccc(O)c1F ZINC000872071311 1124674417 /nfs/dbraw/zinc/67/44/17/1124674417.db2.gz NKCCLMPFCOCRLL-MRVPVSSYSA-N 0 1 277.261 3.524 20 0 CHADMN C/C(Cl)=C/CN1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000528521372 1124681332 /nfs/dbraw/zinc/68/13/32/1124681332.db2.gz QNXKHAMTNZNDOV-IVIAJXKQSA-N 0 1 255.711 3.792 20 0 CHADMN C/C(Cl)=C\CN1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000528521374 1124681467 /nfs/dbraw/zinc/68/14/67/1124681467.db2.gz QNXKHAMTNZNDOV-JQYSZMLTSA-N 0 1 255.711 3.792 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nc(Cc2ccccc2)no1)C1CCC1 ZINC000449278685 1124681774 /nfs/dbraw/zinc/68/17/74/1124681774.db2.gz LIBMULDBTWCWMZ-XJKSGUPXSA-N 0 1 299.418 3.890 20 0 CHADMN CC[C@@H]1CC[C@H](C)N(Cc2nc(C3CCCC3)no2)C1 ZINC000449272509 1124682137 /nfs/dbraw/zinc/68/21/37/1124682137.db2.gz VBZDSTIZDQSGSA-QWHCGFSZSA-N 0 1 277.412 3.738 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1cc3cccnc3o1)C2 ZINC000449276462 1124682205 /nfs/dbraw/zinc/68/22/05/1124682205.db2.gz BSIYJXISUBFREM-UHFFFAOYSA-N 0 1 278.355 3.695 20 0 CHADMN C[C@@H](CF)NCc1cnc(-c2c(F)cccc2F)s1 ZINC000449328340 1124689213 /nfs/dbraw/zinc/68/92/13/1124689213.db2.gz FEPUXTGUZTXCPH-QMMMGPOBSA-N 0 1 286.322 3.536 20 0 CHADMN Cc1cc2c(c(C)c1)[C@@H](N[C@@H](C)c1nccnc1C)CC2 ZINC000872129758 1124690189 /nfs/dbraw/zinc/69/01/89/1124690189.db2.gz BJGFKGPIFYULLJ-HOCLYGCPSA-N 0 1 281.403 3.740 20 0 CHADMN Cc1cc2c(c(C)c1)[C@H](N[C@@H](C)c1nccnc1C)CC2 ZINC000872129757 1124690630 /nfs/dbraw/zinc/69/06/30/1124690630.db2.gz BJGFKGPIFYULLJ-GOEBONIOSA-N 0 1 281.403 3.740 20 0 CHADMN Cc1cc(CN[C@@H]2c3ccc(F)cc3O[C@H]2C)cs1 ZINC000449332341 1124690973 /nfs/dbraw/zinc/69/09/73/1124690973.db2.gz RFEGOWFVYXKBRX-BONVTDFDSA-N 0 1 277.364 3.807 20 0 CHADMN C[N@@H+](CCC1CCCCC1)Cc1cc(C(=O)[O-])cs1 ZINC000872156861 1124695994 /nfs/dbraw/zinc/69/59/94/1124695994.db2.gz HTMMKOVEXHWSBQ-UHFFFAOYSA-N 0 1 281.421 3.849 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872169027 1124696397 /nfs/dbraw/zinc/69/63/97/1124696397.db2.gz FSCKMWSGXIIMDW-HZUKXOBISA-N 0 1 293.794 3.730 20 0 CHADMN CCS[C@@H]1CCCC[N@@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC000872158577 1124696652 /nfs/dbraw/zinc/69/66/52/1124696652.db2.gz GPKYEMQLJRMCIM-GFCCVEGCSA-N 0 1 299.461 3.554 20 0 CHADMN Oc1cc(F)cc(CN[C@@H]2CCCc3c(F)cccc32)c1 ZINC000449350487 1124696670 /nfs/dbraw/zinc/69/66/70/1124696670.db2.gz MAVBSMDDOOGHJJ-QGZVFWFLSA-N 0 1 289.325 3.838 20 0 CHADMN CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872169387 1124696880 /nfs/dbraw/zinc/69/68/80/1124696880.db2.gz NNSSWLXVQXIUPW-HLLBOEOZSA-N 0 1 291.366 3.606 20 0 CHADMN Cc1cc(CN2Cc3ccc(O)cc3C3(CC3)C2)cs1 ZINC000449334616 1124698080 /nfs/dbraw/zinc/69/80/80/1124698080.db2.gz FVPIPHRLXUCZEY-UHFFFAOYSA-N 0 1 285.412 3.810 20 0 CHADMN c1oc(-c2ccccc2)nc1CNCC1=CCCCC1 ZINC000449375288 1124706944 /nfs/dbraw/zinc/70/69/44/1124706944.db2.gz GCFAPKWFPDWGHU-UHFFFAOYSA-N 0 1 268.360 3.932 20 0 CHADMN COC[C@]1(C)CCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000449392864 1124713833 /nfs/dbraw/zinc/71/38/33/1124713833.db2.gz LHZRATYVVWAZQI-CQSZACIVSA-N 0 1 288.218 3.852 20 0 CHADMN FCC(CF)NCC1CCC(c2ccccc2)CC1 ZINC000449377643 1124715912 /nfs/dbraw/zinc/71/59/12/1124715912.db2.gz BBQZDZBWMYDJEL-UHFFFAOYSA-N 0 1 267.363 3.858 20 0 CHADMN CC1(C)CN(Cc2ccc(N3CCCC3)o2)CCC1(F)F ZINC001137060967 1124720542 /nfs/dbraw/zinc/72/05/42/1124720542.db2.gz KCDAXNGRSRENPI-UHFFFAOYSA-N 0 1 298.377 3.747 20 0 CHADMN C[C@@]1(C(F)(F)F)CCN(c2ccncc2C(F)(F)F)C1 ZINC000872728630 1124726868 /nfs/dbraw/zinc/72/68/68/1124726868.db2.gz SCJPCNZCASFHGK-SNVBAGLBSA-N 0 1 298.230 3.879 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1CN1CC(C)(C)[C@H]1c1nccn1C ZINC000449412491 1124730887 /nfs/dbraw/zinc/73/08/87/1124730887.db2.gz FSPUQGLWSBOWAW-HRCADAONSA-N 0 1 287.451 3.795 20 0 CHADMN Cc1ccc(CN[C@H](c2ccccn2)C2CCC2)c(C)n1 ZINC000528658162 1124732537 /nfs/dbraw/zinc/73/25/37/1124732537.db2.gz LUNJRZLAWHTDOT-SFHVURJKSA-N 0 1 281.403 3.724 20 0 CHADMN CCOc1cccc(F)c1CNCc1sccc1C ZINC000873024638 1124734060 /nfs/dbraw/zinc/73/40/60/1124734060.db2.gz XICFHPKFQOLFGV-UHFFFAOYSA-N 0 1 279.380 3.884 20 0 CHADMN Cc1nsc(C)c1CN[C@@H](c1ccccn1)C1CCC1 ZINC000528660166 1124735587 /nfs/dbraw/zinc/73/55/87/1124735587.db2.gz QCUDVNPKDFTDLV-MRXNPFEDSA-N 0 1 287.432 3.786 20 0 CHADMN CCn1cncc1CNCc1ccc(C(C)(C)C)s1 ZINC000873153692 1124742937 /nfs/dbraw/zinc/74/29/37/1124742937.db2.gz DGBZWDNMQZSSBQ-UHFFFAOYSA-N 0 1 277.437 3.552 20 0 CHADMN C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1cccc(F)c1 ZINC000449463591 1124759297 /nfs/dbraw/zinc/75/92/97/1124759297.db2.gz WJUHWFBNTXLCQR-PWSUYJOCSA-N 0 1 275.289 3.989 20 0 CHADMN CC1(C)C[C@H]1C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC001136325048 1131281948 /nfs/dbraw/zinc/28/19/48/1131281948.db2.gz GYAFMYVDRCJIDB-NSHDSACASA-N 0 1 295.342 3.808 20 0 CHADMN CCO[C@H]1CCN(Cc2ccc(OC)cc2Cl)C[C@@H]1C ZINC000449490983 1124761901 /nfs/dbraw/zinc/76/19/01/1124761901.db2.gz DRHHQFITELNTNC-LRDDRELGSA-N 0 1 297.826 3.596 20 0 CHADMN CCO[C@H]1CCN(Cc2c(Cl)cccc2OC)C[C@@H]1C ZINC000449492902 1124761981 /nfs/dbraw/zinc/76/19/81/1124761981.db2.gz KJERZRHFHOHPKN-WFASDCNBSA-N 0 1 297.826 3.596 20 0 CHADMN CCO[C@@H]1CCN(Cc2cc(Cl)ccc2F)C[C@H]1C ZINC000449491688 1124767741 /nfs/dbraw/zinc/76/77/41/1124767741.db2.gz ALDSIWSKQGCHNV-IAQYHMDHSA-N 0 1 285.790 3.726 20 0 CHADMN COc1ccc(CN2CC[C@H](OC)C(C)(C)C2)c(Cl)c1 ZINC000449498845 1124773117 /nfs/dbraw/zinc/77/31/17/1124773117.db2.gz LGDFRZILNBDYIU-HNNXBMFYSA-N 0 1 297.826 3.596 20 0 CHADMN CC(C)n1ccc(-c2cc(F)c3c(c2)CN(C)CC3)c1 ZINC001239079123 1131301574 /nfs/dbraw/zinc/30/15/74/1131301574.db2.gz REBCAQJLQKUOAU-UHFFFAOYSA-N 0 1 272.367 3.863 20 0 CHADMN CCCc1ncc(CNCc2c(C)cc(C)cc2C)o1 ZINC000449613718 1124817000 /nfs/dbraw/zinc/81/70/00/1124817000.db2.gz SSCAWWLBNAGSTR-UHFFFAOYSA-N 0 1 272.392 3.842 20 0 CHADMN CCCC1CCC(NC(=O)c2cc(F)cc(F)c2O)CC1 ZINC001136399112 1131312194 /nfs/dbraw/zinc/31/21/94/1131312194.db2.gz JFRJKXNUWLJRLZ-UHFFFAOYSA-N 0 1 297.345 3.759 20 0 CHADMN CCN(Cc1cnn(C(C)C)c1)Cc1ccc(F)cc1 ZINC001137080358 1124832141 /nfs/dbraw/zinc/83/21/41/1124832141.db2.gz DXRRGGLLDMMYEW-UHFFFAOYSA-N 0 1 275.371 3.625 20 0 CHADMN CC1CC(CN2C[C@@H](C)O[C@@H](c3ccsc3)C2)C1 ZINC001168112265 1124840380 /nfs/dbraw/zinc/84/03/80/1124840380.db2.gz IBTDCIZJZSVWGH-HNQLUHSGSA-N 0 1 265.422 3.556 20 0 CHADMN COc1ccc(-c2cnc(CN3CCCCCC3)o2)cc1 ZINC000041363163 1124855159 /nfs/dbraw/zinc/85/51/59/1124855159.db2.gz NDUUJQVLFKJZMP-UHFFFAOYSA-N 0 1 286.375 3.726 20 0 CHADMN COC[C@@H]1CCCN(Cc2cc(Cl)ccc2F)CC1 ZINC000449780620 1124869489 /nfs/dbraw/zinc/86/94/89/1124869489.db2.gz VXMVZZWNFDDBOY-GFCCVEGCSA-N 0 1 285.790 3.728 20 0 CHADMN Cc1nc(CN2CC3(CCCC3)[C@@H]2C(C)C)cs1 ZINC000449791141 1124873399 /nfs/dbraw/zinc/87/33/99/1124873399.db2.gz NSYBSYVKFIKGNF-AWEZNQCLSA-N 0 1 264.438 3.852 20 0 CHADMN CC(C)[C@H]1[N@@H+](Cc2cnn(C(C)C)c2)CC12CCCC2 ZINC000449794143 1124876216 /nfs/dbraw/zinc/87/62/16/1124876216.db2.gz ZXYVSCATWIGSHV-MRXNPFEDSA-N 0 1 275.440 3.865 20 0 CHADMN CCN(Cc1ccc2nccnc2c1)Cc1ccccc1F ZINC001137090196 1124891333 /nfs/dbraw/zinc/89/13/33/1124891333.db2.gz WHCHWEOOIHICFZ-UHFFFAOYSA-N 0 1 295.361 3.791 20 0 CHADMN CC(C)Oc1ncc(Cl)cc1-c1cccc2cncn21 ZINC001239324627 1131317534 /nfs/dbraw/zinc/31/75/34/1131317534.db2.gz WPGCROJTCVUNFV-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN Clc1ccc(CN(C2CC2)[C@H]2CCc3ccccc32)nn1 ZINC000876628056 1124965816 /nfs/dbraw/zinc/96/58/16/1124965816.db2.gz WUESPMYAJPCJFC-INIZCTEOSA-N 0 1 299.805 3.782 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1cccc(C(C)=O)c1 ZINC000450270576 1124966072 /nfs/dbraw/zinc/96/60/72/1124966072.db2.gz NHNNQBDUYOBCGK-UHFFFAOYSA-N 0 1 297.398 3.920 20 0 CHADMN C[C@@H](c1ccccc1)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000210488263 1131322118 /nfs/dbraw/zinc/32/21/18/1131322118.db2.gz NJUJCVISMXJRKY-KXBFYZLASA-N 0 1 292.382 3.693 20 0 CHADMN Cc1cccc2nc(CNC(=O)[C@@H]3CC[C@H](C)[C@H](C)C3)[nH]c21 ZINC000450312948 1124977878 /nfs/dbraw/zinc/97/78/78/1124977878.db2.gz ONXPPCOAGRLSNJ-IACUBPJLSA-N 0 1 299.418 3.560 20 0 CHADMN CCN(Cc1ccsc1C(F)(F)F)C[C@H]1CCCO1 ZINC000529527052 1124986266 /nfs/dbraw/zinc/98/62/66/1124986266.db2.gz QTWLRHXQXAJBJF-LLVKDONJSA-N 0 1 293.354 3.768 20 0 CHADMN COc1cnc(F)c(CN[C@@H](c2cccs2)C2CC2)c1 ZINC000876908578 1124989918 /nfs/dbraw/zinc/98/99/18/1124989918.db2.gz OJIKEWLINREPAZ-CQSZACIVSA-N 0 1 292.379 3.532 20 0 CHADMN CCC[C@H]1CCCN([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000120881692 1124998740 /nfs/dbraw/zinc/99/87/40/1124998740.db2.gz DCJNCTCIHISEQN-RYUDHWBXSA-N 0 1 263.385 3.520 20 0 CHADMN C[C@H]1C[C@H](NCc2cc(C3CC3)no2)c2ccccc21 ZINC000877025666 1125000639 /nfs/dbraw/zinc/00/06/39/1125000639.db2.gz RFDBICDZNUIVMM-GTNSWQLSSA-N 0 1 268.360 3.890 20 0 CHADMN CCCN(CCc1ccccn1)Cc1ccncc1Cl ZINC000529567558 1125004376 /nfs/dbraw/zinc/00/43/76/1125004376.db2.gz XLCLSWCAJVFKQM-UHFFFAOYSA-N 0 1 289.810 3.585 20 0 CHADMN CCOc1cccc(CCNCc2nc(Cl)cs2)c1 ZINC000877117001 1125012087 /nfs/dbraw/zinc/01/20/87/1125012087.db2.gz FVHXPEZKTOBHMR-UHFFFAOYSA-N 0 1 296.823 3.528 20 0 CHADMN COc1cccc(C)c1CNc1ccc2c(c1)CN(C)C2 ZINC000877160834 1125017419 /nfs/dbraw/zinc/01/74/19/1125017419.db2.gz ZJQKGWNOLAOMRD-UHFFFAOYSA-N 0 1 282.387 3.561 20 0 CHADMN CCCC1CCN(C(=O)c2ccc(Cl)c(O)c2)CC1 ZINC001137117098 1125020876 /nfs/dbraw/zinc/02/08/76/1125020876.db2.gz BJIWHERGSPSYRH-UHFFFAOYSA-N 0 1 281.783 3.698 20 0 CHADMN COCCC1CCN(Cc2cnc(C(C)(C)C)s2)CC1 ZINC000529637385 1125024146 /nfs/dbraw/zinc/02/41/46/1125024146.db2.gz RMFRBBKHVBUBMX-UHFFFAOYSA-N 0 1 296.480 3.689 20 0 CHADMN C[C@@H]1CCN(Cc2cc3c(ccnc3Cl)o2)CCS1 ZINC000877475682 1125031126 /nfs/dbraw/zinc/03/11/26/1125031126.db2.gz MBKGAXRFDMTYGT-SNVBAGLBSA-N 0 1 296.823 3.809 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccncc1)CCS2 ZINC000035043658 1125031233 /nfs/dbraw/zinc/03/12/33/1125031233.db2.gz WMFNDWRNSFHSEA-AWEZNQCLSA-N 0 1 274.364 3.547 20 0 CHADMN C[C@H]1CCN(Cc2cc3c(ccnc3Cl)o2)CCS1 ZINC000877475681 1125031410 /nfs/dbraw/zinc/03/14/10/1125031410.db2.gz MBKGAXRFDMTYGT-JTQLQIEISA-N 0 1 296.823 3.809 20 0 CHADMN FC1(F)CCCC[C@H]1CN1CCOC[C@H]1c1ccccc1 ZINC000450451185 1125032973 /nfs/dbraw/zinc/03/29/73/1125032973.db2.gz FDFPPNAAWXOBSU-HOTGVXAUSA-N 0 1 295.373 3.885 20 0 CHADMN CCN(C(=O)[C@H](C)N(C)Cc1ccccc1)c1ccccc1 ZINC000302812540 1125033414 /nfs/dbraw/zinc/03/34/14/1125033414.db2.gz PEMWWKSSWUSOGD-INIZCTEOSA-N 0 1 296.414 3.560 20 0 CHADMN CSC(C)(C)CCNC1(C(F)F)CCCC1 ZINC000877536669 1125040435 /nfs/dbraw/zinc/04/04/35/1125040435.db2.gz YSCLBYLJUAZBGM-UHFFFAOYSA-N 0 1 251.386 3.686 20 0 CHADMN CCC1(NCc2nc(Cl)ccc2Br)CC1 ZINC000877560198 1125045066 /nfs/dbraw/zinc/04/50/66/1125045066.db2.gz JZUFRNMQQZUFLG-UHFFFAOYSA-N 0 1 289.604 3.530 20 0 CHADMN CCc1nc(CNC[C@@]2(C)C[C@@H]2c2ccccc2)co1 ZINC000877571433 1125046276 /nfs/dbraw/zinc/04/62/76/1125046276.db2.gz YUZWCQHKXKTADF-NVXWUHKLSA-N 0 1 270.376 3.520 20 0 CHADMN Brc1ncccc1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000877603469 1125051503 /nfs/dbraw/zinc/05/15/03/1125051503.db2.gz NOQUHRRJZSSRLO-AAEUAGOBSA-N 0 1 295.224 3.609 20 0 CHADMN CC(=O)c1cccc(CN2CC[C@H](Nc3ccccc3)C2)c1 ZINC000450548488 1125054578 /nfs/dbraw/zinc/05/45/78/1125054578.db2.gz IDDACNWVZULZRV-IBGZPJMESA-N 0 1 294.398 3.576 20 0 CHADMN CCO[P@@](C)(=O)CC[C@@H](C)NCC(F)(F)C(C)(C)C ZINC000877639809 1125057459 /nfs/dbraw/zinc/05/74/59/1125057459.db2.gz GJTZXQCVTJRZDK-NSPYISDASA-N 0 1 299.342 3.980 20 0 CHADMN Fc1cccc2cc(CN3CC(Cc4ccco4)C3)cnc12 ZINC000877654556 1125059359 /nfs/dbraw/zinc/05/93/59/1125059359.db2.gz QJOHUNINAIVFTN-UHFFFAOYSA-N 0 1 296.345 3.641 20 0 CHADMN C[C@@H]1CCC[C@@H](C2CN(Cc3cn(C)nc3C(F)F)C2)C1 ZINC000877763826 1125076431 /nfs/dbraw/zinc/07/64/31/1125076431.db2.gz KQXGHYRAWUYDIF-VXGBXAGGSA-N 0 1 297.393 3.616 20 0 CHADMN C[C@@]1(C(F)(F)F)CCN(Cc2cnc(C3CC3)s2)C1 ZINC000877812790 1125085531 /nfs/dbraw/zinc/08/55/31/1125085531.db2.gz SREPCGDPLIIREA-GFCCVEGCSA-N 0 1 290.354 3.795 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN[C@H](C)c1nccnc1C ZINC000877828721 1125087528 /nfs/dbraw/zinc/08/75/28/1125087528.db2.gz PJVGBCPPKIAOIP-CYBMUJFWSA-N 0 1 289.810 3.906 20 0 CHADMN Cc1cc(CN2CC[C@@H](C(F)(F)F)O[C@H](C)C2)cs1 ZINC000877820415 1125087570 /nfs/dbraw/zinc/08/75/70/1125087570.db2.gz IWXIHHDFFSKACG-SKDRFNHKSA-N 0 1 293.354 3.598 20 0 CHADMN CCC[C@H](CC)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC001136455854 1131331711 /nfs/dbraw/zinc/33/17/11/1131331711.db2.gz PCMYWAFFPVYRLP-LSDHHAIUSA-N 0 1 294.439 3.605 20 0 CHADMN CN(Cc1ccco1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000877905850 1125100226 /nfs/dbraw/zinc/10/02/26/1125100226.db2.gz CLWBUETVBQHDGE-DLBZAZTESA-N 0 1 271.360 3.632 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1NCc1nnc(C2CC2)s1 ZINC000450753316 1125102201 /nfs/dbraw/zinc/10/22/01/1125102201.db2.gz BPJMXEAMQNZDRN-NWDGAFQWSA-N 0 1 297.493 3.569 20 0 CHADMN COc1ccccc1-c1nc(C[N@H+]2CCCC[C@@H]2C)co1 ZINC000877936543 1125103941 /nfs/dbraw/zinc/10/39/41/1125103941.db2.gz XPDGXQVTUJURAJ-ZDUSSCGKSA-N 0 1 286.375 3.725 20 0 CHADMN COc1ccccc1-c1nc(CN2CCCC[C@@H]2C)co1 ZINC000877936543 1125103945 /nfs/dbraw/zinc/10/39/45/1125103945.db2.gz XPDGXQVTUJURAJ-ZDUSSCGKSA-N 0 1 286.375 3.725 20 0 CHADMN CC(C)(C)c1n[nH]c(SCC2=CCCCC2)n1 ZINC000450756287 1125104075 /nfs/dbraw/zinc/10/40/75/1125104075.db2.gz GHZCPUZOOFWJHZ-UHFFFAOYSA-N 0 1 251.399 3.695 20 0 CHADMN CC(C)(C)c1nc(SCC2=CCCCC2)n[nH]1 ZINC000450756287 1125104079 /nfs/dbraw/zinc/10/40/79/1125104079.db2.gz GHZCPUZOOFWJHZ-UHFFFAOYSA-N 0 1 251.399 3.695 20 0 CHADMN CC[C@H](CN(CC)Cc1cnns1)c1ccccc1 ZINC000450760623 1125104284 /nfs/dbraw/zinc/10/42/84/1125104284.db2.gz RGIQJORVYUQMGY-CYBMUJFWSA-N 0 1 275.421 3.554 20 0 CHADMN C[C@H]1CCC[C@H](N(C)Cc2nc3c(o2)CCCC3)C1 ZINC000877966491 1125107126 /nfs/dbraw/zinc/10/71/26/1125107126.db2.gz MTNYWDVQXYJWPC-STQMWFEESA-N 0 1 262.397 3.564 20 0 CHADMN Cc1conc1CN1CCC[C@@H]1c1ccccc1C ZINC000877977505 1125109038 /nfs/dbraw/zinc/10/90/38/1125109038.db2.gz YSGSGNIAEJRAQU-MRXNPFEDSA-N 0 1 256.349 3.629 20 0 CHADMN C(c1nc2c(o1)CCCC2)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000877986287 1125110574 /nfs/dbraw/zinc/11/05/74/1125110574.db2.gz MVWYXGNFXPFEOX-OAHLLOKOSA-N 0 1 274.408 3.708 20 0 CHADMN c1ccc([C@@H]2CC[C@H](CN3Cc4ccccc4C3)O2)cc1 ZINC000878079310 1125117131 /nfs/dbraw/zinc/11/71/31/1125117131.db2.gz UOLMDFDJAINALU-MOPGFXCFSA-N 0 1 279.383 3.923 20 0 CHADMN Cc1ccc(CN2CC[C@H](c3ccco3)C2)nc1Cl ZINC000878092941 1125118250 /nfs/dbraw/zinc/11/82/50/1125118250.db2.gz CNGFKQCFKVTRBY-LBPRGKRZSA-N 0 1 276.767 3.626 20 0 CHADMN Cc1conc1CN1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000878135976 1125122147 /nfs/dbraw/zinc/12/21/47/1125122147.db2.gz SXZQYTMJJLGVPA-CZUORRHYSA-N 0 1 270.376 3.609 20 0 CHADMN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC000878152197 1125123785 /nfs/dbraw/zinc/12/37/85/1125123785.db2.gz WBLYABAWFSKMGJ-OLZOCXBDSA-N 0 1 294.464 3.659 20 0 CHADMN CCS[C@H]1CC[C@@H](N(C)Cc2nc3c(o2)CCCC3)C1 ZINC000878152197 1125123789 /nfs/dbraw/zinc/12/37/89/1125123789.db2.gz WBLYABAWFSKMGJ-OLZOCXBDSA-N 0 1 294.464 3.659 20 0 CHADMN COc1ccccc1-c1nc(C[N@H+]2CC[C@H](C)[C@@H]2C)co1 ZINC000878164101 1125125787 /nfs/dbraw/zinc/12/57/87/1125125787.db2.gz GJKWDXKTIWBOCT-STQMWFEESA-N 0 1 286.375 3.581 20 0 CHADMN CCn1cnc(Cl)c1CNC(C)(C)c1ccccc1C ZINC001202546813 1125127579 /nfs/dbraw/zinc/12/75/79/1125127579.db2.gz PTVOZDZUSMZCRY-UHFFFAOYSA-N 0 1 291.826 3.890 20 0 CHADMN CC1(C)CC(C[N@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])C1 ZINC000530165955 1125127745 /nfs/dbraw/zinc/12/77/45/1125127745.db2.gz LDIFWHJGKWNIAV-JKSUJKDBSA-N 0 1 293.451 3.778 20 0 CHADMN Clc1ccc(OCC2CC2)c(CSc2cn[nH]n2)c1 ZINC000530283523 1125137156 /nfs/dbraw/zinc/13/71/56/1125137156.db2.gz POOKAOCVYOLPFN-UHFFFAOYSA-N 0 1 295.795 3.539 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccccc2)nc1Cl ZINC000878345795 1125142922 /nfs/dbraw/zinc/14/29/22/1125142922.db2.gz XDBLAWQRVJOTHU-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN C[C@H](NCc1nc2c(o1)CCCC2)C1CCCCC1 ZINC000878348046 1125143322 /nfs/dbraw/zinc/14/33/22/1125143322.db2.gz CFRAIAPTDZRERZ-LBPRGKRZSA-N 0 1 262.397 3.612 20 0 CHADMN C[C@H]1CC[C@@]2(CC[N@@H+](Cc3nc4c(o3)CCCC4)C2)C1 ZINC000878400125 1125149016 /nfs/dbraw/zinc/14/90/16/1125149016.db2.gz XGCVUVCQVPAXNH-SUMWQHHRSA-N 0 1 274.408 3.566 20 0 CHADMN C[C@H]1CC[C@@]2(CCN(Cc3nc4c(o3)CCCC4)C2)C1 ZINC000878400125 1125149020 /nfs/dbraw/zinc/14/90/20/1125149020.db2.gz XGCVUVCQVPAXNH-SUMWQHHRSA-N 0 1 274.408 3.566 20 0 CHADMN Cc1cccc([C@@H]2CCN(Cc3nc4c(o3)CCCC4)C2)c1 ZINC000878405280 1125150330 /nfs/dbraw/zinc/15/03/30/1125150330.db2.gz DPBIMBCEJYGIBY-MRXNPFEDSA-N 0 1 296.414 3.851 20 0 CHADMN FC(F)(F)CCN[C@@H]1CCCc2c(Cl)ccnc21 ZINC000925234192 1125154070 /nfs/dbraw/zinc/15/40/70/1125154070.db2.gz BRVLYWXFRFXKSB-SNVBAGLBSA-N 0 1 278.705 3.654 20 0 CHADMN COc1ccccc1-c1nc(CN2CCCC3(CC3)C2)co1 ZINC000878444905 1125155276 /nfs/dbraw/zinc/15/52/76/1125155276.db2.gz PXXVPMJUSCLATI-UHFFFAOYSA-N 0 1 298.386 3.726 20 0 CHADMN CC(C)Oc1ccccc1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001137134375 1125162878 /nfs/dbraw/zinc/16/28/78/1125162878.db2.gz QSUQZPHTEFXJFH-GASCZTMLSA-N 0 1 295.373 3.951 20 0 CHADMN CCOC[C@H](NCc1c(Cl)cncc1Cl)C(C)C ZINC000878598193 1125164081 /nfs/dbraw/zinc/16/40/81/1125164081.db2.gz ZLYPSGSYWVHOMQ-ZDUSSCGKSA-N 0 1 291.222 3.539 20 0 CHADMN Cc1noc([C@@H]2CCC[N@@H+]2C[C@@H](C)CC(C)(C)C)n1 ZINC000878613962 1125165718 /nfs/dbraw/zinc/16/57/18/1125165718.db2.gz APCCZNAPNZRGAN-AAEUAGOBSA-N 0 1 265.401 3.587 20 0 CHADMN CC(C)c1cccc2c1OCCC[C@@H]2NCc1cnn(C)c1 ZINC000122016579 1125168161 /nfs/dbraw/zinc/16/81/61/1125168161.db2.gz AYVPCYZLRPXAAN-KRWDZBQOSA-N 0 1 299.418 3.547 20 0 CHADMN CCc1nocc1CN(C)CCCSC(C)(C)C ZINC000878651843 1125170991 /nfs/dbraw/zinc/17/09/91/1125170991.db2.gz GOXWPFMCLGHRLR-UHFFFAOYSA-N 0 1 270.442 3.591 20 0 CHADMN COC[C@H](NCc1ccc(C)c(C)c1)c1ccc(F)cc1 ZINC000530729344 1125174757 /nfs/dbraw/zinc/17/47/57/1125174757.db2.gz SMAXJKHLWFRCJY-SFHVURJKSA-N 0 1 287.378 3.920 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1CCC[C@H](C)CC1 ZINC000530867479 1125184151 /nfs/dbraw/zinc/18/41/51/1125184151.db2.gz XIWATKCRCZBUNL-LBPRGKRZSA-N 0 1 294.826 3.709 20 0 CHADMN C[C@H]1CN(Cc2csc(Br)c2)C[C@H]1C ZINC000530971291 1125189285 /nfs/dbraw/zinc/18/92/85/1125189285.db2.gz UKDSQLODDRJBCF-DTORHVGOSA-N 0 1 274.227 3.598 20 0 CHADMN CC1(C)C[N@@H+](C[C@@H]2CCCC(C)(C)O2)[C@@H]1c1cccnc1 ZINC000879010284 1125191023 /nfs/dbraw/zinc/19/10/23/1125191023.db2.gz UFIXUGMFJZCUGG-JKSUJKDBSA-N 0 1 288.435 3.812 20 0 CHADMN CC1(C)CN(C[C@@H]2CCCC(C)(C)O2)[C@@H]1c1cccnc1 ZINC000879010284 1125191026 /nfs/dbraw/zinc/19/10/26/1125191026.db2.gz UFIXUGMFJZCUGG-JKSUJKDBSA-N 0 1 288.435 3.812 20 0 CHADMN CCN(Cc1ccnn1CC)[C@@H](C)c1ccc(F)cc1 ZINC000122427978 1125191612 /nfs/dbraw/zinc/19/16/12/1125191612.db2.gz IWPDIADETYCEHK-ZDUSSCGKSA-N 0 1 275.371 3.625 20 0 CHADMN CC1(C)C[N@@H+](C[C@H]2CCC(C)(C)CO2)[C@@H]1c1cccnc1 ZINC000879010708 1125191835 /nfs/dbraw/zinc/19/18/35/1125191835.db2.gz ZKSLNCUXENCMNV-HZPDHXFCSA-N 0 1 288.435 3.670 20 0 CHADMN CC1(C)CN(C[C@H]2CCC(C)(C)CO2)[C@@H]1c1cccnc1 ZINC000879010708 1125191836 /nfs/dbraw/zinc/19/18/36/1125191836.db2.gz ZKSLNCUXENCMNV-HZPDHXFCSA-N 0 1 288.435 3.670 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(F)cc2)c(OC)c1 ZINC000019944003 1125193346 /nfs/dbraw/zinc/19/33/46/1125193346.db2.gz IKNQUANJZADZBT-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN Cc1ccc(-c2nnc(CN3CC[C@H](C)[C@H](C)C3)o2)cc1 ZINC000122637559 1125196989 /nfs/dbraw/zinc/19/69/89/1125196989.db2.gz VJJMHGITPYLHFW-UONOGXRCSA-N 0 1 285.391 3.523 20 0 CHADMN CO[C@H]1CC[C@@H](N2CCc3ccc(C(F)(F)F)cc3C2)C1 ZINC000879103745 1125197909 /nfs/dbraw/zinc/19/79/09/1125197909.db2.gz DFYWTSPBHTVADL-CABCVRRESA-N 0 1 299.336 3.631 20 0 CHADMN CC(C)(C)OC(=O)[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000531164637 1125198593 /nfs/dbraw/zinc/19/85/93/1125198593.db2.gz PHLVPBIDMXSBHH-ZDUSSCGKSA-N 0 1 295.810 3.504 20 0 CHADMN Cc1csc([C@H](C)NC/C=C/c2ccc(F)cc2)n1 ZINC000127579163 1125202682 /nfs/dbraw/zinc/20/26/82/1125202682.db2.gz UXVBFBRZEZXSFC-PCAWENJQSA-N 0 1 276.380 3.955 20 0 CHADMN CC(C)c1cnc(CN[C@H](C)[C@@]23C[C@@H]2CCCC3)o1 ZINC000879262831 1125205096 /nfs/dbraw/zinc/20/50/96/1125205096.db2.gz FGMAFPKPBUKDQS-DVOMOZLQSA-N 0 1 262.397 3.856 20 0 CHADMN COc1ccc2oc(CN[C@@H](C)c3cccnc3)cc2c1 ZINC000122963507 1125215461 /nfs/dbraw/zinc/21/54/61/1125215461.db2.gz AHLRZMZIXSXSHY-LBPRGKRZSA-N 0 1 282.343 3.687 20 0 CHADMN CCCCc1nc(CN2CC[C@H]3CSC[C@H]3C2)cs1 ZINC000879559995 1125220126 /nfs/dbraw/zinc/22/01/26/1125220126.db2.gz VAEDKYPXAWWLRY-QWHCGFSZSA-N 0 1 296.505 3.671 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC(C(C)(C)O)CC1 ZINC000879626403 1125220826 /nfs/dbraw/zinc/22/08/26/1125220826.db2.gz WDIQPNDJAHSANI-NSHDSACASA-N 0 1 283.362 3.509 20 0 CHADMN Fc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1F ZINC000531470601 1125223095 /nfs/dbraw/zinc/22/30/95/1125223095.db2.gz NQHMDJYQEBNHMX-GJZGRUSLSA-N 0 1 283.387 3.825 20 0 CHADMN Fc1ccc(CN2CCS[C@H]3CCCC[C@@H]32)cc1F ZINC000531470601 1125223098 /nfs/dbraw/zinc/22/30/98/1125223098.db2.gz NQHMDJYQEBNHMX-GJZGRUSLSA-N 0 1 283.387 3.825 20 0 CHADMN COC(=O)c1sc2ccccc2c1C[N@H+]1CC[C@@H](C)C1 ZINC000531470021 1125223750 /nfs/dbraw/zinc/22/37/50/1125223750.db2.gz DMYKOVLEMMLSGD-LLVKDONJSA-N 0 1 289.400 3.530 20 0 CHADMN Cc1nc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)sc1C ZINC000879669639 1125224418 /nfs/dbraw/zinc/22/44/18/1125224418.db2.gz SZBVQRNECBCGHF-GHMZBOCLSA-N 0 1 290.354 3.747 20 0 CHADMN CC(C)c1ccc(-c2noc([C@H]3C[C@H](C)CCN3)n2)cc1 ZINC000127938243 1125225407 /nfs/dbraw/zinc/22/54/07/1125225407.db2.gz XJKVVQPRHABIGN-IUODEOHRSA-N 0 1 285.391 3.921 20 0 CHADMN CC(C)c1ccc(-c2noc([C@@H]3C[C@@H](C)CCN3)n2)cc1 ZINC000127938016 1125225606 /nfs/dbraw/zinc/22/56/06/1125225606.db2.gz XJKVVQPRHABIGN-WFASDCNBSA-N 0 1 285.391 3.921 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1coc2ccccc12 ZINC000925248809 1125229633 /nfs/dbraw/zinc/22/96/33/1125229633.db2.gz SYNNGLKRPGHBGW-OEPMTFCVSA-N 0 1 293.366 3.742 20 0 CHADMN Cc1cncc([C@H]2CCCN2Cc2ccsc2)c1 ZINC000879750871 1125231328 /nfs/dbraw/zinc/23/13/28/1125231328.db2.gz ADIRTFDIYIHNDE-OAHLLOKOSA-N 0 1 258.390 3.789 20 0 CHADMN COc1ccc(CC[C@H](C)Nc2cc(OC)ccn2)cc1 ZINC000777279840 1125232886 /nfs/dbraw/zinc/23/28/86/1125232886.db2.gz UKJMTUHAQACOHJ-ZDUSSCGKSA-N 0 1 286.375 3.532 20 0 CHADMN Cc1ccccc1[C@H](CO)N[C@@H]1CCSc2ccccc21 ZINC000532248494 1125243540 /nfs/dbraw/zinc/24/35/40/1125243540.db2.gz QAZFPMDEZOJODB-SJORKVTESA-N 0 1 299.439 3.855 20 0 CHADMN c1nc(CN2CC[C@]3(CCc4ccccc43)C2)oc1C1CC1 ZINC000879997993 1125243762 /nfs/dbraw/zinc/24/37/62/1125243762.db2.gz ZYIWCKYCARJDMS-LJQANCHMSA-N 0 1 294.398 3.642 20 0 CHADMN Cc1csc([C@H]2CCN(Cc3nc(C)c(C)s3)C2)n1 ZINC000880009101 1125245292 /nfs/dbraw/zinc/24/52/92/1125245292.db2.gz ZNUQALPQBSUCNK-LBPRGKRZSA-N 0 1 293.461 3.514 20 0 CHADMN COC1CCC(N(C)Cc2nc(C(C)(C)C)cs2)CC1 ZINC000532291461 1125246153 /nfs/dbraw/zinc/24/61/53/1125246153.db2.gz DBZFWKQXNAUFIG-UHFFFAOYSA-N 0 1 296.480 3.830 20 0 CHADMN CC[N@@H+](Cc1cccs1)Cc1[nH]nc2c1cccc2C ZINC001137149246 1125247114 /nfs/dbraw/zinc/24/71/14/1125247114.db2.gz LRGYFUFNTOBEMB-UHFFFAOYSA-N 0 1 285.416 3.955 20 0 CHADMN CCN(Cc1cccs1)Cc1[nH]nc2c1cccc2C ZINC001137149246 1125247120 /nfs/dbraw/zinc/24/71/20/1125247120.db2.gz LRGYFUFNTOBEMB-UHFFFAOYSA-N 0 1 285.416 3.955 20 0 CHADMN C[C@@H](Sc1c[nH]nn1)c1cccc2ccccc21 ZINC000532323894 1125249006 /nfs/dbraw/zinc/24/90/06/1125249006.db2.gz BSLYXPPGNJGKNC-SNVBAGLBSA-N 0 1 255.346 3.811 20 0 CHADMN Cc1cncc(CN[C@@H](C)c2ccc(C(F)(F)F)nc2)c1 ZINC000880103724 1125250617 /nfs/dbraw/zinc/25/06/17/1125250617.db2.gz ZEIFZOUFVIDLFE-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN C[C@@H]1CN(CCC(C)(C)C)C[C@H](c2ccsc2)O1 ZINC000532351693 1125251325 /nfs/dbraw/zinc/25/13/25/1125251325.db2.gz MCQMJKMROAUZKT-TZMCWYRMSA-N 0 1 267.438 3.946 20 0 CHADMN Cc1ccc(-c2cnc(C[N@H+]3CCC[C@H](CF)C3)o2)cc1 ZINC000880233556 1125258149 /nfs/dbraw/zinc/25/81/49/1125258149.db2.gz XSZAIWYMRACDBT-CQSZACIVSA-N 0 1 288.366 3.832 20 0 CHADMN Cc1ccc(-c2cnc(CN3CCC[C@H](CF)C3)o2)cc1 ZINC000880233556 1125258155 /nfs/dbraw/zinc/25/81/55/1125258155.db2.gz XSZAIWYMRACDBT-CQSZACIVSA-N 0 1 288.366 3.832 20 0 CHADMN Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@H](CF)C2)o1 ZINC000880232945 1125258584 /nfs/dbraw/zinc/25/85/84/1125258584.db2.gz RYLRFXXEVOIAAR-CQSZACIVSA-N 0 1 288.366 3.832 20 0 CHADMN Cc1ccccc1-c1cnc(CN2CCC[C@H](CF)C2)o1 ZINC000880232945 1125258588 /nfs/dbraw/zinc/25/85/88/1125258588.db2.gz RYLRFXXEVOIAAR-CQSZACIVSA-N 0 1 288.366 3.832 20 0 CHADMN Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@H](CF)C1 ZINC000880292599 1125263019 /nfs/dbraw/zinc/26/30/19/1125263019.db2.gz RTEYVXKSSAQUFZ-NSHDSACASA-N 0 1 280.368 3.503 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1CC[C@@H](CF)C1 ZINC000880292599 1125263021 /nfs/dbraw/zinc/26/30/21/1125263021.db2.gz RTEYVXKSSAQUFZ-NSHDSACASA-N 0 1 280.368 3.503 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)N1CC[C@@H](c2nccs2)C1 ZINC000880319338 1125265461 /nfs/dbraw/zinc/26/54/61/1125265461.db2.gz FOPOKSZNFBAWRI-NWDGAFQWSA-N 0 1 299.399 3.835 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)N1CC[C@H](c2nccs2)C1 ZINC000880319339 1125266085 /nfs/dbraw/zinc/26/60/85/1125266085.db2.gz FOPOKSZNFBAWRI-RYUDHWBXSA-N 0 1 299.399 3.835 20 0 CHADMN Clc1ccsc1CN1CC[C@@H](c2nccs2)C1 ZINC000880320963 1125266201 /nfs/dbraw/zinc/26/62/01/1125266201.db2.gz KTDJZLSCEOVYIO-SECBINFHSA-N 0 1 284.837 3.848 20 0 CHADMN c1ccc(CN2C[C@@H]3CC[C@H]2c2ccccc23)nc1 ZINC000880535997 1125279018 /nfs/dbraw/zinc/27/90/18/1125279018.db2.gz CSAWNMVQROFYNF-GUYCJALGSA-N 0 1 250.345 3.516 20 0 CHADMN COc1ccc(CN(C)Cc2cc(C)cs2)c(OC)c1 ZINC001137158439 1125285886 /nfs/dbraw/zinc/28/58/86/1125285886.db2.gz SJPWVGSWERGNQI-UHFFFAOYSA-N 0 1 291.416 3.706 20 0 CHADMN Cc1ccsc1[C@@H](C)N[C@@H](C)c1nccnc1C ZINC000872131850 1125286509 /nfs/dbraw/zinc/28/65/09/1125286509.db2.gz AKMXIDYWWVMQIX-NWDGAFQWSA-N 0 1 261.394 3.567 20 0 CHADMN COc1cccc2c1CCN(Cc1cc(C)cs1)C2 ZINC001137159913 1125292756 /nfs/dbraw/zinc/29/27/56/1125292756.db2.gz NAFBPEXVIYQYHI-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN CO[C@H](CN[C@H](c1ccc(C)cc1)c1ccccn1)C(C)C ZINC000828450489 1125306500 /nfs/dbraw/zinc/30/65/00/1125306500.db2.gz KPDXKEVLWSAWBF-RTBURBONSA-N 0 1 298.430 3.740 20 0 CHADMN C[C@H](c1ccccn1)N(C)C/C=C\c1ccc(F)cc1 ZINC000508646959 1125314278 /nfs/dbraw/zinc/31/42/78/1125314278.db2.gz HBCBBPPPONCJEV-GEXIGZQTSA-N 0 1 270.351 3.927 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)N1CCC(=O)[C@@H](C)CC1 ZINC001168171895 1125318794 /nfs/dbraw/zinc/31/87/94/1125318794.db2.gz YITKVNYUPIPFSQ-QWHCGFSZSA-N 0 1 279.811 3.572 20 0 CHADMN CC(C)N(C)c1ccc(CN[C@@H]2CCCc3occc32)cn1 ZINC000190753931 1125319726 /nfs/dbraw/zinc/31/97/26/1125319726.db2.gz IRLORMVYGHAPFY-MRXNPFEDSA-N 0 1 299.418 3.686 20 0 CHADMN Cc1ncsc1CN(C)C[C@H]1CCC2(CCCCC2)O1 ZINC000190967069 1125320502 /nfs/dbraw/zinc/32/05/02/1125320502.db2.gz DULAPXINLFJUPD-CQSZACIVSA-N 0 1 294.464 3.765 20 0 CHADMN COCc1cc(CN[C@@H]2CCCc3occc32)ccc1F ZINC000190939628 1125320823 /nfs/dbraw/zinc/32/08/23/1125320823.db2.gz VUYCBUMYFNGRJP-MRXNPFEDSA-N 0 1 289.350 3.732 20 0 CHADMN CN(Cc1nccn1-c1ccccc1)C1CCCCC1 ZINC000191159557 1125321375 /nfs/dbraw/zinc/32/13/75/1125321375.db2.gz FMNOJEZZEKLAIY-UHFFFAOYSA-N 0 1 269.392 3.637 20 0 CHADMN Cc1ccccc1CN[C@H]1CCOc2c(F)cccc21 ZINC000191126414 1125323567 /nfs/dbraw/zinc/32/35/67/1125323567.db2.gz KULQYYLZWOCFMN-INIZCTEOSA-N 0 1 271.335 3.748 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1ncccn1 ZINC000192053644 1125330445 /nfs/dbraw/zinc/33/04/45/1125330445.db2.gz FPOVVXAWVONEGD-OLZOCXBDSA-N 0 1 289.810 3.754 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1ncccn1 ZINC000192053644 1125330447 /nfs/dbraw/zinc/33/04/47/1125330447.db2.gz FPOVVXAWVONEGD-OLZOCXBDSA-N 0 1 289.810 3.754 20 0 CHADMN C[C@]1(F)CCN(Cc2cccc3cccnc32)C[C@H]1F ZINC001137171980 1125331407 /nfs/dbraw/zinc/33/14/07/1125331407.db2.gz MHWWEFLUQKAZDS-ZBFHGGJFSA-N 0 1 276.330 3.507 20 0 CHADMN COC[C@@H](NCc1cccnc1C)c1ccc(Cl)cc1 ZINC000193278740 1125338050 /nfs/dbraw/zinc/33/80/50/1125338050.db2.gz SGVPIBXACVEKIM-MRXNPFEDSA-N 0 1 290.794 3.521 20 0 CHADMN Cc1nc2c(n1C[C@H]1CC[C@H](c3ccccc3)O1)CCCC2 ZINC000882174710 1125338689 /nfs/dbraw/zinc/33/86/89/1125338689.db2.gz XFJVDERKECWCGZ-VQIMIIECSA-N 0 1 296.414 3.991 20 0 CHADMN FC(F)(F)c1cnccc1N1CC[C@@H](c2nccs2)C1 ZINC000882855892 1125358534 /nfs/dbraw/zinc/35/85/34/1125358534.db2.gz WPNSDFQVDAMROI-SECBINFHSA-N 0 1 299.321 3.551 20 0 CHADMN CCOC(=O)c1cc2ccc(-c3ccccc3C)[nH]c-2n1 ZINC001239500625 1131350199 /nfs/dbraw/zinc/35/01/99/1131350199.db2.gz CPHXTRGANOILSI-UHFFFAOYSA-N 0 1 280.327 3.715 20 0 CHADMN CCCN(CC(=O)OCC)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001168187135 1125360504 /nfs/dbraw/zinc/36/05/04/1125360504.db2.gz FOSSXGZZGAOLFF-ZDUSSCGKSA-N 0 1 297.826 3.546 20 0 CHADMN CC(C)(C)c1ccncc1CNCc1n[nH]c2ccccc12 ZINC000666417211 1125364653 /nfs/dbraw/zinc/36/46/53/1125364653.db2.gz KTYQBGXHNUPNPR-UHFFFAOYSA-N 0 1 294.402 3.545 20 0 CHADMN CC(C)(C)c1ccncc1CNCc1[nH]nc2ccccc21 ZINC000666417211 1125364655 /nfs/dbraw/zinc/36/46/55/1125364655.db2.gz KTYQBGXHNUPNPR-UHFFFAOYSA-N 0 1 294.402 3.545 20 0 CHADMN CC[C@@H](NCc1cccc(Cl)c1N)c1c(C)noc1C ZINC000883076675 1125370673 /nfs/dbraw/zinc/37/06/73/1125370673.db2.gz JXZCJKWTWIHAQG-CYBMUJFWSA-N 0 1 293.798 3.768 20 0 CHADMN C[C@@H](NCc1csc(-c2ccccc2)n1)[C@H]1CC1(F)F ZINC000666445055 1125371002 /nfs/dbraw/zinc/37/10/02/1125371002.db2.gz OLUMSMOYXYRCTB-ZWNOBZJWSA-N 0 1 294.370 3.943 20 0 CHADMN OC[C@H](NCc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000038110960 1125371799 /nfs/dbraw/zinc/37/17/99/1125371799.db2.gz ZOBRWAVXYGKQMI-HNNXBMFYSA-N 0 1 295.304 3.529 20 0 CHADMN c1ncn2ccc(-c3noc(C4(C5CCC5)CCC4)n3)cc12 ZINC000351115884 1125375910 /nfs/dbraw/zinc/37/59/10/1125375910.db2.gz NPJBQVQFQPCLGR-UHFFFAOYSA-N 0 1 294.358 3.606 20 0 CHADMN Cc1cc(-c2noc([C@H](C)CC(F)F)n2)cc2nc[nH]c21 ZINC000351203434 1125376782 /nfs/dbraw/zinc/37/67/82/1125376782.db2.gz CWRHNKQZXBPHIP-MRVPVSSYSA-N 0 1 292.289 3.680 20 0 CHADMN CCC(CC)CN(CC)Cn1cc(C)cnc1=S ZINC000131229190 1125377847 /nfs/dbraw/zinc/37/78/47/1125377847.db2.gz QRUPLWGUKUSAMP-UHFFFAOYSA-N 0 1 267.442 3.637 20 0 CHADMN CC[C@@H](NCc1n[nH]c(C(C)C)n1)c1sccc1Cl ZINC000883225289 1125379782 /nfs/dbraw/zinc/37/97/82/1125379782.db2.gz CZGNMLZYPDEYPX-SNVBAGLBSA-N 0 1 298.843 3.884 20 0 CHADMN CC[C@H](NCc1n[nH]c(C2CC2)n1)c1sccc1Cl ZINC000883225885 1125380184 /nfs/dbraw/zinc/38/01/84/1125380184.db2.gz OHFJHZGFGVEDIP-JTQLQIEISA-N 0 1 296.827 3.638 20 0 CHADMN C/C=C/C[C@@H]1CCCN(Cc2noc3c2CCCC3)C1 ZINC000626162376 1125380606 /nfs/dbraw/zinc/38/06/06/1125380606.db2.gz TUXCDWQIXDMUOV-BAABZTOOSA-N 0 1 274.408 3.732 20 0 CHADMN CCSc1ccc(CNCc2ccc(C)o2)cc1 ZINC000883236498 1125382052 /nfs/dbraw/zinc/38/20/52/1125382052.db2.gz CIZCPZIADAUCOU-UHFFFAOYSA-N 0 1 261.390 3.990 20 0 CHADMN CCSc1ccc(CNCc2cncs2)cc1 ZINC000883235407 1125382261 /nfs/dbraw/zinc/38/22/61/1125382261.db2.gz BSRZRTXXIDPAPI-UHFFFAOYSA-N 0 1 264.419 3.545 20 0 CHADMN CCSc1ccc(CN[C@@H](C)c2cn(C)nc2C)cc1 ZINC000883244748 1125382690 /nfs/dbraw/zinc/38/26/90/1125382690.db2.gz VYHBZHNJEFBTRH-LBPRGKRZSA-N 0 1 289.448 3.691 20 0 CHADMN CCSc1ccc(CN[C@H](C)c2cnn(CC)c2)cc1 ZINC000883244731 1125382923 /nfs/dbraw/zinc/38/29/23/1125382923.db2.gz VNHCJEXRUHZPGF-CYBMUJFWSA-N 0 1 289.448 3.866 20 0 CHADMN c1cc(CN[C@H](c2ccccc2)C2CCCCC2)n[nH]1 ZINC000041014762 1125387926 /nfs/dbraw/zinc/38/79/26/1125387926.db2.gz VELJKBDJWJKYAN-QGZVFWFLSA-N 0 1 269.392 3.821 20 0 CHADMN Cc1ccsc1CNCc1ccc(C)nc1Cl ZINC000883291754 1125391418 /nfs/dbraw/zinc/39/14/18/1125391418.db2.gz QSVVWHSWYKKSPS-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3ccccc32)c(Cl)n1 ZINC000883300908 1125392240 /nfs/dbraw/zinc/39/22/40/1125392240.db2.gz LFXRGFCRORDIDK-OAHLLOKOSA-N 0 1 272.779 3.821 20 0 CHADMN C[C@@H](N(C)CC(=O)c1c[nH]c2ccccc12)C(C)(C)C ZINC000042773701 1125392948 /nfs/dbraw/zinc/39/29/48/1125392948.db2.gz XNEXMMZJNLQYBO-GFCCVEGCSA-N 0 1 272.392 3.717 20 0 CHADMN C[C@H](CCc1ccsc1)NC1(c2ncccn2)CCC1 ZINC000883312020 1125393914 /nfs/dbraw/zinc/39/39/14/1125393914.db2.gz RAOPTVSGUOPNEY-CYBMUJFWSA-N 0 1 287.432 3.528 20 0 CHADMN Cc1nc2c(n1C[C@@H]1CCC3(CCCCC3)O1)CCCC2 ZINC000229439014 1125394969 /nfs/dbraw/zinc/39/49/69/1125394969.db2.gz SVHFDROFXOAJMY-HNNXBMFYSA-N 0 1 288.435 3.952 20 0 CHADMN Cc1cnc([C@@H](C)NC[C@@H]2CCC3(CCCC3)O2)s1 ZINC000229305823 1125395289 /nfs/dbraw/zinc/39/52/89/1125395289.db2.gz JXYHBUQMFSKNAK-OLZOCXBDSA-N 0 1 280.437 3.594 20 0 CHADMN CCN(Cc1ccccn1)[C@H](C)c1ccc(F)c(F)c1 ZINC000170929136 1125396573 /nfs/dbraw/zinc/39/65/73/1125396573.db2.gz ZCJXYKOUIYEMHP-GFCCVEGCSA-N 0 1 276.330 3.943 20 0 CHADMN CCN(Cc1ccccn1)[C@@H](C)c1ccc(F)c(F)c1 ZINC000170929133 1125396651 /nfs/dbraw/zinc/39/66/51/1125396651.db2.gz ZCJXYKOUIYEMHP-LBPRGKRZSA-N 0 1 276.330 3.943 20 0 CHADMN CCN(CCOC1CCCCCC1)Cc1ccccn1 ZINC000342352299 1125401466 /nfs/dbraw/zinc/40/14/66/1125401466.db2.gz HWSDQQGFGYOJQK-UHFFFAOYSA-N 0 1 276.424 3.643 20 0 CHADMN F[C@@H]1CCc2ccccc2[C@@H]1NCc1[nH]nc2ccccc21 ZINC000883382807 1125406591 /nfs/dbraw/zinc/40/65/91/1125406591.db2.gz NORLDTMYQRLEAZ-QAPCUYQASA-N 0 1 295.361 3.678 20 0 CHADMN Cc1ccc2[nH]c(NCc3cccc4c3CCOC4)nc2c1 ZINC000883409193 1125409637 /nfs/dbraw/zinc/40/96/37/1125409637.db2.gz QXZAPTONJNQKBP-UHFFFAOYSA-N 0 1 293.370 3.556 20 0 CHADMN Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C ZINC000532549393 1125410154 /nfs/dbraw/zinc/41/01/54/1125410154.db2.gz AWSCYKXUKYVQPE-HUUCEWRRSA-N 0 1 290.451 3.539 20 0 CHADMN CC1(C)CCCC[C@@H]1CC(=O)Nc1ccc2[nH]nnc2c1 ZINC001137189313 1125410230 /nfs/dbraw/zinc/41/02/30/1125410230.db2.gz NIJURNCXJNXZLH-LLVKDONJSA-N 0 1 286.379 3.503 20 0 CHADMN CC1(C)CCCC[C@H]1CC(=O)Nc1ccc2[nH]nnc2c1 ZINC001137189314 1125410342 /nfs/dbraw/zinc/41/03/42/1125410342.db2.gz NIJURNCXJNXZLH-NSHDSACASA-N 0 1 286.379 3.503 20 0 CHADMN CCOc1ccc(CN[C@H]2c3ccccc3NC2(C)C)nc1 ZINC000883464783 1125411919 /nfs/dbraw/zinc/41/19/19/1125411919.db2.gz WHCLKALBBOLTOF-KRWDZBQOSA-N 0 1 297.402 3.515 20 0 CHADMN CC(C)COc1ccc(NCc2ccc3nc[nH]c3c2)cn1 ZINC000532565758 1125415153 /nfs/dbraw/zinc/41/51/53/1125415153.db2.gz KCIBZOZNXMNBQH-UHFFFAOYSA-N 0 1 296.374 3.605 20 0 CHADMN CCc1ccc([C@H]2CCCCCN2Cc2ccno2)o1 ZINC000532573270 1125415224 /nfs/dbraw/zinc/41/52/24/1125415224.db2.gz DMOUPUUKPFMYSN-OAHLLOKOSA-N 0 1 274.364 3.947 20 0 CHADMN CC1CCC([N@H+]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001168218638 1125417483 /nfs/dbraw/zinc/41/74/83/1125417483.db2.gz ZTQZHVWTJUREDI-PREGVCBESA-N 0 1 259.393 3.639 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000119620816 1125427292 /nfs/dbraw/zinc/42/72/92/1125427292.db2.gz IKUQQFDISNVKAI-UONOGXRCSA-N 0 1 289.423 3.540 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1Cc1nc(C(C)(C)C)no1 ZINC000532622728 1125428811 /nfs/dbraw/zinc/42/88/11/1125428811.db2.gz BVRMIUZLFCZCGY-OLZOCXBDSA-N 0 1 279.428 3.768 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1Cc1nc(C(C)(C)C)no1 ZINC000532622725 1125428961 /nfs/dbraw/zinc/42/89/61/1125428961.db2.gz BVRMIUZLFCZCGY-CHWSQXEVSA-N 0 1 279.428 3.768 20 0 CHADMN Fc1cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc1Cl ZINC000121285911 1125429236 /nfs/dbraw/zinc/42/92/36/1125429236.db2.gz XXLPNHNFDJWEMP-GFCCVEGCSA-N 0 1 293.773 3.582 20 0 CHADMN Fc1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)ccc1Cl ZINC000121285911 1125429239 /nfs/dbraw/zinc/42/92/39/1125429239.db2.gz XXLPNHNFDJWEMP-GFCCVEGCSA-N 0 1 293.773 3.582 20 0 CHADMN Cc1cc(NCCc2nccs2)c2cc(F)ccc2n1 ZINC000123547167 1125431490 /nfs/dbraw/zinc/43/14/90/1125431490.db2.gz RPRMWOXZRQKXAC-UHFFFAOYSA-N 0 1 287.363 3.793 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1Cc1nnc(C(C)C)o1 ZINC000123630877 1125431889 /nfs/dbraw/zinc/43/18/89/1125431889.db2.gz WTXICMOPQWWJPL-CYBMUJFWSA-N 0 1 265.401 3.594 20 0 CHADMN Cc1cc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)c2ccccc2n1 ZINC000348248965 1125431973 /nfs/dbraw/zinc/43/19/73/1125431973.db2.gz XDSSHGQBPFWADD-LIRRHRJNSA-N 0 1 296.414 3.543 20 0 CHADMN CCN(Cc1ccccn1)[C@H](C)c1cccc(OC)c1 ZINC000104948335 1125434173 /nfs/dbraw/zinc/43/41/73/1125434173.db2.gz ZVAHCBBNNMCZJW-CQSZACIVSA-N 0 1 270.376 3.673 20 0 CHADMN CCOc1cccc(CN2CCC[C@H]2C)c1OC(F)F ZINC000124303063 1125435674 /nfs/dbraw/zinc/43/56/74/1125435674.db2.gz GBXFZPRLLLLWNU-LLVKDONJSA-N 0 1 285.334 3.671 20 0 CHADMN Oc1cccc2c1CC[C@H]2NCc1cc(F)c(F)c(F)c1 ZINC000105486229 1125436443 /nfs/dbraw/zinc/43/64/43/1125436443.db2.gz RMNTWJNHZLANJG-CQSZACIVSA-N 0 1 293.288 3.587 20 0 CHADMN Oc1cccc2c1CC[C@@H]2NCc1ccc(Cl)c(F)c1 ZINC000105486760 1125436984 /nfs/dbraw/zinc/43/69/84/1125436984.db2.gz VTZMFEGUFLNHQD-HNNXBMFYSA-N 0 1 291.753 3.962 20 0 CHADMN CCc1noc(CC)c1CN[C@H](C)c1ccccc1 ZINC000124814211 1125442633 /nfs/dbraw/zinc/44/26/33/1125442633.db2.gz BNNLQZCZJHEPCC-GFCCVEGCSA-N 0 1 258.365 3.650 20 0 CHADMN CCN[C@@H](C)c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000133368997 1125450782 /nfs/dbraw/zinc/45/07/82/1125450782.db2.gz SRLIZFSMONMWFN-ZETCQYMHSA-N 0 1 286.162 3.714 20 0 CHADMN C[C@H]1CCCCN1Cc1csc(-c2ccoc2)n1 ZINC000108355980 1125452493 /nfs/dbraw/zinc/45/24/93/1125452493.db2.gz QRSNKNVTPPJCDF-NSHDSACASA-N 0 1 262.378 3.778 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](NCc1ccnn1C)CCCO2 ZINC000126532217 1125455418 /nfs/dbraw/zinc/45/54/18/1125455418.db2.gz FUPLYRQUBGXUEG-QGZVFWFLSA-N 0 1 299.418 3.547 20 0 CHADMN COc1ncc(CN[C@@H](C)c2cc(C)sc2C)s1 ZINC000385919459 1129181641 /nfs/dbraw/zinc/18/16/41/1129181641.db2.gz JFPCIWCZDBTYMP-VIFPVBQESA-N 0 1 282.434 3.681 20 0 CHADMN CC(C)CCc1ccc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1 ZINC000635445063 1129181883 /nfs/dbraw/zinc/18/18/83/1129181883.db2.gz AIYHSMWYVKSBBC-HZPDHXFCSA-N 0 1 297.402 3.741 20 0 CHADMN Cc1cc(Oc2ccccc2)ccc1NC(=O)[C@@H](C)N(C)C ZINC000635542816 1129184505 /nfs/dbraw/zinc/18/45/05/1129184505.db2.gz HFLPVPWDNMDDIM-CQSZACIVSA-N 0 1 298.386 3.676 20 0 CHADMN CCN(Cc1ccc2ccccc2c1)Cc1nccnc1C ZINC000621712111 1129184870 /nfs/dbraw/zinc/18/48/70/1129184870.db2.gz SRMUXTZQGLJKHV-UHFFFAOYSA-N 0 1 291.398 3.960 20 0 CHADMN Cc1nc[nH]c1C(=O)N(CC(C)C)c1ccc(Cl)cc1 ZINC000635689604 1129188595 /nfs/dbraw/zinc/18/85/95/1129188595.db2.gz MEFFAUDQUWPNEH-UHFFFAOYSA-N 0 1 291.782 3.674 20 0 CHADMN c1nc(C2CCC2)sc1CN1CC(CC2CC2)C1 ZINC000621740604 1129189462 /nfs/dbraw/zinc/18/94/62/1129189462.db2.gz ZAEQHWACBRSDOJ-UHFFFAOYSA-N 0 1 262.422 3.643 20 0 CHADMN c1cn2c(CN3CC(CC4CC4)C3)c(C3CC3)nc2s1 ZINC000621740426 1129189489 /nfs/dbraw/zinc/18/94/89/1129189489.db2.gz PNUQXZNIBSHLEL-UHFFFAOYSA-N 0 1 287.432 3.505 20 0 CHADMN CSC(C)(C)C[C@@H](C)n1c(CN)nc2ccccc21 ZINC001258320499 1129193625 /nfs/dbraw/zinc/19/36/25/1129193625.db2.gz SJDIDEGKBUEJAM-LLVKDONJSA-N 0 1 277.437 3.588 20 0 CHADMN Cc1nc2c[nH]cc(-c3cccc(C(F)(F)F)c3)c-2n1 ZINC001239516092 1131357388 /nfs/dbraw/zinc/35/73/88/1131357388.db2.gz WDLNXTMIPFOQOK-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN Cc1nc2c(cncc2-c2cccc(C(F)(F)F)c2)[nH]1 ZINC001239516092 1131357394 /nfs/dbraw/zinc/35/73/94/1131357394.db2.gz WDLNXTMIPFOQOK-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN CCCC[C@@H](C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1)C(C)C ZINC000621935798 1129207419 /nfs/dbraw/zinc/20/74/19/1129207419.db2.gz JHDHLLPLNFQSLU-QWHCGFSZSA-N 0 1 294.443 3.568 20 0 CHADMN Cn1nccc1CN[C@@H](c1ccccc1F)C1CCCC1 ZINC000088765242 1129209698 /nfs/dbraw/zinc/20/96/98/1129209698.db2.gz WXMSGRWSJDJRIQ-QGZVFWFLSA-N 0 1 287.382 3.580 20 0 CHADMN CSC(C)(C)C[C@H](C)N1CCC(F)(F)[C@@H](F)C1 ZINC001258335776 1129212655 /nfs/dbraw/zinc/21/26/55/1129212655.db2.gz PFVYBCAKQZWMLZ-UWVGGRQHSA-N 0 1 269.376 3.586 20 0 CHADMN CC(C)C[C@H](N[C@@H]1CCn2ccnc21)c1ccccc1 ZINC000294274420 1129214607 /nfs/dbraw/zinc/21/46/07/1129214607.db2.gz YBPSNYSEUVBBBG-CVEARBPZSA-N 0 1 269.392 3.705 20 0 CHADMN CO[C@H]1CC=C(Nc2ncccc2C(F)(F)F)CC1 ZINC001212873171 1129230662 /nfs/dbraw/zinc/23/06/62/1129230662.db2.gz DQPFNRTUILTTMC-JTQLQIEISA-N 0 1 272.270 3.595 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2csc(C)c2C)on1 ZINC000637949837 1129238297 /nfs/dbraw/zinc/23/82/97/1129238297.db2.gz YBFFBBGEIIKQDF-CQSZACIVSA-N 0 1 276.405 3.998 20 0 CHADMN Cc1ncc([C@@H](C)N2CCC[C@H]2c2ccc(O)cc2)c(C)n1 ZINC000637970675 1129238883 /nfs/dbraw/zinc/23/88/83/1129238883.db2.gz HLSORMODXRADDT-ACJLOTCBSA-N 0 1 297.402 3.697 20 0 CHADMN Cc1ncc([C@@H](C)N2Cc3ccccc3C[C@@H]2C)c(C)n1 ZINC000638114970 1129243291 /nfs/dbraw/zinc/24/32/91/1129243291.db2.gz DKOCKKOIPDPCOD-GXTWGEPZSA-N 0 1 281.403 3.601 20 0 CHADMN CCOCc1ccccc1CNCc1c(C)cccc1OC ZINC000638329961 1129254417 /nfs/dbraw/zinc/25/44/17/1129254417.db2.gz YGVRTKYNICTNJL-UHFFFAOYSA-N 0 1 299.414 3.830 20 0 CHADMN COc1cc(CNCc2sccc2C)c(Cl)cc1O ZINC000638445771 1129259268 /nfs/dbraw/zinc/25/92/68/1129259268.db2.gz IYUJANGIIXTZKX-UHFFFAOYSA-N 0 1 297.807 3.714 20 0 CHADMN Cn1ccnc1[C@@H](N[C@@H]1CCCCc2ccccc21)C1CC1 ZINC000638475182 1129260201 /nfs/dbraw/zinc/26/02/01/1129260201.db2.gz VQCNTWHLNAXGDB-MSOLQXFVSA-N 0 1 295.430 3.929 20 0 CHADMN Cc1cccc2c1CC[C@H]2NCc1cc(C2CC2)no1 ZINC000638544148 1129261746 /nfs/dbraw/zinc/26/17/46/1129261746.db2.gz IMAQFNBIQXRJFA-MRXNPFEDSA-N 0 1 268.360 3.638 20 0 CHADMN C/C=C(/C)C(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000089970460 1129262570 /nfs/dbraw/zinc/26/25/70/1129262570.db2.gz UPGGBNPEDIVHEN-OTOXVQDCSA-N 0 1 278.739 3.787 20 0 CHADMN CCc1cc(NC(=O)c2cc(C)cc3cn[nH]c32)ccc1C ZINC000622493040 1129262656 /nfs/dbraw/zinc/26/26/56/1129262656.db2.gz LJLOZDZGEGBOSE-UHFFFAOYSA-N 0 1 293.370 3.994 20 0 CHADMN CC(C)(NCc1cccc(F)c1N)c1cccc(F)c1 ZINC000638626084 1129264157 /nfs/dbraw/zinc/26/41/57/1129264157.db2.gz JLRWILCMHJKBDZ-UHFFFAOYSA-N 0 1 276.330 3.572 20 0 CHADMN CC[C@@H](NCc1cccc(F)c1N)c1ccc(F)cc1F ZINC000638658293 1129265103 /nfs/dbraw/zinc/26/51/03/1129265103.db2.gz WEXVDLDFBCIIGL-OAHLLOKOSA-N 0 1 294.320 3.927 20 0 CHADMN Cc1cc(CNC(C)(C)c2ccc(F)c(F)c2)sn1 ZINC000638721187 1129267618 /nfs/dbraw/zinc/26/76/18/1129267618.db2.gz JPXMVKCVWGTIFP-UHFFFAOYSA-N 0 1 282.359 3.755 20 0 CHADMN CCc1ccc(C(C)(C)N[C@@H](c2nccn2C)C2CC2)cc1 ZINC000638732278 1129268086 /nfs/dbraw/zinc/26/80/86/1129268086.db2.gz NCDSPDREQQRXKT-QGZVFWFLSA-N 0 1 297.446 3.959 20 0 CHADMN CO[C@H](CNCc1nc(C(C)C)cs1)C1CCCC1 ZINC000638763143 1129269531 /nfs/dbraw/zinc/26/95/31/1129269531.db2.gz SYXQRBFAZHALMP-CQSZACIVSA-N 0 1 282.453 3.561 20 0 CHADMN CCC(N)=NOCc1ccc(Cl)cc1Br ZINC000733792351 1129270279 /nfs/dbraw/zinc/27/02/79/1129270279.db2.gz GOINFLJWKYJBLP-UHFFFAOYSA-N 0 1 291.576 3.511 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1N[C@@H](c1nccn1C)C1CC1 ZINC000638821854 1129271395 /nfs/dbraw/zinc/27/13/95/1129271395.db2.gz BSHFPYROHSSXSW-JEBQAFNWSA-N 0 1 295.430 3.784 20 0 CHADMN Cc1scc(CN(C)[C@@H](C)c2ccccn2)c1C ZINC000638923548 1129275059 /nfs/dbraw/zinc/27/50/59/1129275059.db2.gz WWMORQFBEBXXGO-LBPRGKRZSA-N 0 1 260.406 3.953 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@H](c3cccc(C)c3)C2)s1 ZINC000282645988 1129275339 /nfs/dbraw/zinc/27/53/39/1129275339.db2.gz CARPGCJPZDNMEF-DOMZBBRYSA-N 0 1 287.432 3.705 20 0 CHADMN OC[C@@H](NCc1cccc(C(F)F)c1)c1cccc(F)c1 ZINC000348036725 1129275886 /nfs/dbraw/zinc/27/58/86/1129275886.db2.gz QFZHZRWIQGGVJV-OAHLLOKOSA-N 0 1 295.304 3.587 20 0 CHADMN COCC[C@H](NCc1cc2ccccc2n1C)c1ccco1 ZINC000638968815 1129275880 /nfs/dbraw/zinc/27/58/80/1129275880.db2.gz NQQKRPWOPWZBFY-INIZCTEOSA-N 0 1 298.386 3.639 20 0 CHADMN CC(C)c1nnc(CN[C@H]2CC[C@@H]2C(C)(C)C)s1 ZINC000348073304 1129277005 /nfs/dbraw/zinc/27/70/05/1129277005.db2.gz KZARTRPRRXTCAW-QWRGUYRKSA-N 0 1 267.442 3.576 20 0 CHADMN C[C@@H](c1cccnc1)N(C)[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000639041116 1129278016 /nfs/dbraw/zinc/27/80/16/1129278016.db2.gz RVOAICBESXCLEC-XJKSGUPXSA-N 0 1 299.422 3.514 20 0 CHADMN Cc1cc([C@H](C)NC2CC(c3ccccc3)C2)no1 ZINC000282680189 1129279037 /nfs/dbraw/zinc/27/90/37/1129279037.db2.gz JQIAUFOSPKYQLP-GRTSSRMGSA-N 0 1 256.349 3.580 20 0 CHADMN CCN(Cc1ccncc1)Cc1cccc(OC(C)C)c1 ZINC000348082463 1129279841 /nfs/dbraw/zinc/27/98/41/1129279841.db2.gz WYZONYMRKAHFAP-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN Cc1ccc(-c2noc(CN3C[C@@H]4CCCC[C@@]43C)n2)cc1 ZINC000626106473 1129281816 /nfs/dbraw/zinc/28/18/16/1129281816.db2.gz RTMCOZPJGDLHIS-YJBOKZPZSA-N 0 1 297.402 3.810 20 0 CHADMN CCO[C@@H](CNCc1nc2ccccc2o1)c1ccccc1 ZINC000639109229 1129282705 /nfs/dbraw/zinc/28/27/05/1129282705.db2.gz STTAEMYYRKTFJY-KRWDZBQOSA-N 0 1 296.370 3.695 20 0 CHADMN COC(C)(C)[C@H](C)NCc1cc(Cl)sc1Cl ZINC000378693562 1129283465 /nfs/dbraw/zinc/28/34/65/1129283465.db2.gz JXZPFIMWUBNUAQ-ZETCQYMHSA-N 0 1 282.236 3.958 20 0 CHADMN Cn1ccnc1[C@@H](C1CC1)[N@@H+](C)C(C)(C)c1ccccc1 ZINC000639147690 1129286224 /nfs/dbraw/zinc/28/62/24/1129286224.db2.gz VEXDDHSRKSQEFW-MRXNPFEDSA-N 0 1 283.419 3.738 20 0 CHADMN CN([C@@H](c1nccn1C)C1CC1)C(C)(C)c1ccccc1 ZINC000639147690 1129286227 /nfs/dbraw/zinc/28/62/27/1129286227.db2.gz VEXDDHSRKSQEFW-MRXNPFEDSA-N 0 1 283.419 3.738 20 0 CHADMN CC[C@H](c1ccncc1)N(C)[C@H](C)c1cnc(C)nc1C ZINC000639178541 1129289263 /nfs/dbraw/zinc/28/92/63/1129289263.db2.gz LRXNBFYOQSNKBV-CXAGYDPISA-N 0 1 284.407 3.633 20 0 CHADMN COc1cc(C)c(NCc2[nH]nc3ccccc32)cc1OC ZINC000734158354 1129297264 /nfs/dbraw/zinc/29/72/64/1129297264.db2.gz MZKDFKFJLRLTBO-UHFFFAOYSA-N 0 1 297.358 3.501 20 0 CHADMN CC1=C(C)C[C@H]([C@@H](C)N[C@H](C)c2csnn2)CC1 ZINC000639266992 1129297932 /nfs/dbraw/zinc/29/79/32/1129297932.db2.gz VEUUDRQCDVEWJR-JHJVBQTASA-N 0 1 265.426 3.714 20 0 CHADMN Cn1c(CN2CC(C)(CC(F)F)C2)cc2ccccc21 ZINC000639282686 1129299234 /nfs/dbraw/zinc/29/92/34/1129299234.db2.gz DZYNHEXXDUQQJR-UHFFFAOYSA-N 0 1 278.346 3.655 20 0 CHADMN COc1ncc(CNC2(c3cccc(C)c3)CCC2)s1 ZINC000639283787 1129299683 /nfs/dbraw/zinc/29/96/83/1129299683.db2.gz NNEAKMXCJDFJHR-UHFFFAOYSA-N 0 1 288.416 3.629 20 0 CHADMN COCCC1CN(Cc2oc3ccccc3c2Cl)C1 ZINC000639306795 1129301578 /nfs/dbraw/zinc/30/15/78/1129301578.db2.gz VNYHYHRBHGPIDF-UHFFFAOYSA-N 0 1 279.767 3.555 20 0 CHADMN Cc1ccc2c(c1)CN([C@H](C)c1cnc(C)nc1C)CC2 ZINC000639307443 1129301681 /nfs/dbraw/zinc/30/16/81/1129301681.db2.gz YGEZTLUBDBOASR-CQSZACIVSA-N 0 1 281.403 3.521 20 0 CHADMN COc1cc(CN[C@H]2CCCc3c(C)cccc32)sn1 ZINC000639327173 1129302410 /nfs/dbraw/zinc/30/24/10/1129302410.db2.gz LENLJACABQEUOX-HNNXBMFYSA-N 0 1 288.416 3.627 20 0 CHADMN COc1ncc(CN[C@H]2CCCc3c(C)cccc32)s1 ZINC000639326962 1129302619 /nfs/dbraw/zinc/30/26/19/1129302619.db2.gz JZNBHYFQANWQEY-HNNXBMFYSA-N 0 1 288.416 3.627 20 0 CHADMN C[C@H](Cc1ccc(O)cc1)N(C)Cc1cccnc1Cl ZINC000766210468 1129305874 /nfs/dbraw/zinc/30/58/74/1129305874.db2.gz YHYVZEGWUSNSGH-GFCCVEGCSA-N 0 1 290.794 3.504 20 0 CHADMN O[C@@H]1CCN(Cc2cccc(F)c2)[C@@H](c2ccccc2)C1 ZINC000639367632 1129307141 /nfs/dbraw/zinc/30/71/41/1129307141.db2.gz SWBOPVLOXJVLGO-QZTJIDSGSA-N 0 1 285.362 3.524 20 0 CHADMN O[C@H]1CCN(Cc2cccc(F)c2)[C@@H](c2ccccc2)C1 ZINC000639367639 1129307378 /nfs/dbraw/zinc/30/73/78/1129307378.db2.gz SWBOPVLOXJVLGO-ZWKOTPCHSA-N 0 1 285.362 3.524 20 0 CHADMN Cc1n[nH]c(C(=O)NC[C@@H]2CCCC[C@H]2C(C)(C)C)c1C ZINC000734427957 1129308244 /nfs/dbraw/zinc/30/82/44/1129308244.db2.gz HPIDIGDDXWHAME-UONOGXRCSA-N 0 1 291.439 3.609 20 0 CHADMN Cc1n[nH]c(C(=O)NC[C@H]2CCCC[C@H]2C(C)(C)C)c1C ZINC000734427958 1129308333 /nfs/dbraw/zinc/30/83/33/1129308333.db2.gz HPIDIGDDXWHAME-ZIAGYGMSSA-N 0 1 291.439 3.609 20 0 CHADMN CCCCC[C@H](NC(=O)c1[nH]nc(C)c1C)C(C)(C)C ZINC000734447774 1129308660 /nfs/dbraw/zinc/30/86/60/1129308660.db2.gz FPMNRHUYIWYBNK-ZDUSSCGKSA-N 0 1 279.428 3.751 20 0 CHADMN Nc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000639392347 1129310048 /nfs/dbraw/zinc/31/00/48/1129310048.db2.gz SDZZHPYVFAFJEN-VXNVDRBHSA-N 0 1 299.123 3.616 20 0 CHADMN C[C@@H]1CCN(Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000639468532 1129318903 /nfs/dbraw/zinc/31/89/03/1129318903.db2.gz DWHFMWRIRMGJTF-CYBMUJFWSA-N 0 1 293.370 3.732 20 0 CHADMN Cc1nc(-c2ccccc2)oc1CN1CCSC[C@H]1C ZINC000639494962 1129319274 /nfs/dbraw/zinc/31/92/74/1129319274.db2.gz CYSKIHCSVPZCSL-GFCCVEGCSA-N 0 1 288.416 3.587 20 0 CHADMN CC(=O)CN[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000639569626 1129324105 /nfs/dbraw/zinc/32/41/05/1129324105.db2.gz OHYUIUXIPYRWQK-ZDUSSCGKSA-N 0 1 273.298 3.581 20 0 CHADMN O=C(CN[C@H](c1ccccc1)C1CC1)c1ccccc1F ZINC000639567562 1129324352 /nfs/dbraw/zinc/32/43/52/1129324352.db2.gz AGKFITBVPMPVPL-GOSISDBHSA-N 0 1 283.346 3.749 20 0 CHADMN CCCCCC[C@@H](CC)C(=O)N1CCN(C2CCC2)CC1 ZINC000735056231 1129329734 /nfs/dbraw/zinc/32/97/34/1129329734.db2.gz YFTXENLUEYJEPM-MRXNPFEDSA-N 0 1 294.483 3.680 20 0 CHADMN Clc1cnc(CN[C@@H]2Cc3ccc(Cl)cc3C2)s1 ZINC000719402276 1129333575 /nfs/dbraw/zinc/33/35/75/1129333575.db2.gz MVOXISLBIUCLHO-LLVKDONJSA-N 0 1 299.226 3.707 20 0 CHADMN c1cnc([C@H]2CCCN2CCCC2CCCC2)nc1 ZINC000639844599 1129335720 /nfs/dbraw/zinc/33/57/20/1129335720.db2.gz FDQGBMMHMBSKFI-OAHLLOKOSA-N 0 1 259.397 3.584 20 0 CHADMN C[C@@H](N)c1nc(-c2nc(C3CCCCCC3)no2)cs1 ZINC000090939327 1129337478 /nfs/dbraw/zinc/33/74/78/1129337478.db2.gz AZSHGJWOVDFFHG-SECBINFHSA-N 0 1 292.408 3.651 20 0 CHADMN Cc1ccsc1[C@H](C)NCc1nc2c(s1)CCC2 ZINC000719610455 1129348496 /nfs/dbraw/zinc/34/84/96/1129348496.db2.gz HAPDVINZAYLTDI-JTQLQIEISA-N 0 1 278.446 3.853 20 0 CHADMN CC[C@@H](C)CCCCC(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795524920 1129352622 /nfs/dbraw/zinc/35/26/22/1129352622.db2.gz GNTZHXVLOUXDTC-GFCCVEGCSA-N 0 1 281.400 3.578 20 0 CHADMN CC[C@@H](C)CCCCC(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795524920 1129352626 /nfs/dbraw/zinc/35/26/26/1129352626.db2.gz GNTZHXVLOUXDTC-GFCCVEGCSA-N 0 1 281.400 3.578 20 0 CHADMN CC(C)(C)C1CCN(Cc2cccc(Cl)n2)CC1 ZINC000091439611 1129361538 /nfs/dbraw/zinc/36/15/38/1129361538.db2.gz FGNKCZIEWAYNPE-UHFFFAOYSA-N 0 1 266.816 3.993 20 0 CHADMN C[C@H](N[C@@H]1CCCc2cccnc21)c1ccc(F)cc1 ZINC000091660251 1129366883 /nfs/dbraw/zinc/36/68/83/1129366883.db2.gz ZQVXMFWBGYJJPI-BLLLJJGKSA-N 0 1 270.351 3.949 20 0 CHADMN c1cc(CN2CCC(Oc3ccccc3)CC2)cs1 ZINC000091682783 1129368291 /nfs/dbraw/zinc/36/82/91/1129368291.db2.gz GDLRSORQTVTDEG-UHFFFAOYSA-N 0 1 273.401 3.792 20 0 CHADMN C[C@H](CC1CC1)n1c2cc(Cl)ccc2nc1CN ZINC001258447897 1129369519 /nfs/dbraw/zinc/36/95/19/1129369519.db2.gz YFGHOLZLWXMMTN-SECBINFHSA-N 0 1 263.772 3.510 20 0 CHADMN O[C@H](C[C@H]1CCCN1Cc1ccc(Cl)o1)c1ccco1 ZINC000091957528 1129375675 /nfs/dbraw/zinc/37/56/75/1129375675.db2.gz PCEKOULADHXRFI-DGCLKSJQSA-N 0 1 295.766 3.614 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(SC)o2)cc1 ZINC000641712617 1129388272 /nfs/dbraw/zinc/38/82/72/1129388272.db2.gz MEELGSAXIUVDDP-LLVKDONJSA-N 0 1 277.389 3.861 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1ccc(SC)o1 ZINC000641746087 1129389595 /nfs/dbraw/zinc/38/95/95/1129389595.db2.gz MOSZAQXTLHOXQU-LLVKDONJSA-N 0 1 276.405 3.810 20 0 CHADMN CC(C)n1ccn(CN2CCCCC[C@@H]2C)c1=S ZINC000738225621 1129390452 /nfs/dbraw/zinc/39/04/52/1129390452.db2.gz IDKHHDNVRGUABW-ZDUSSCGKSA-N 0 1 267.442 3.822 20 0 CHADMN COc1cccnc1CN[C@H](c1ccccc1)C1CCC1 ZINC000641779940 1129391328 /nfs/dbraw/zinc/39/13/28/1129391328.db2.gz TYWPMRBQIDRZNN-GOSISDBHSA-N 0 1 282.387 3.721 20 0 CHADMN COc1cccc(CNCc2ccc(SC)o2)c1C ZINC000641774291 1129391462 /nfs/dbraw/zinc/39/14/62/1129391462.db2.gz MDTDAUTXSHJNOQ-UHFFFAOYSA-N 0 1 277.389 3.608 20 0 CHADMN c1ccc2oc(CN[C@@H]3CC34CCCCC4)nc2c1 ZINC000641789433 1129392540 /nfs/dbraw/zinc/39/25/40/1129392540.db2.gz PLFDCFRPVIMJOW-CQSZACIVSA-N 0 1 256.349 3.640 20 0 CHADMN C[C@H]1c2ccc(F)cc2CCN1C[C@@H]1CC1(Cl)Cl ZINC000738882748 1129398834 /nfs/dbraw/zinc/39/88/34/1129398834.db2.gz UMWCHISDUYMVOZ-ONGXEEELSA-N 0 1 288.193 3.939 20 0 CHADMN Cc1noc([C@H](C)NCC2(c3ccccc3)CCCC2)n1 ZINC000642194497 1129409391 /nfs/dbraw/zinc/40/93/91/1129409391.db2.gz SMNDHCULZIEQDT-ZDUSSCGKSA-N 0 1 285.391 3.541 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCC[C@@H](CC)C2)n1 ZINC000642330232 1129414305 /nfs/dbraw/zinc/41/43/05/1129414305.db2.gz CNTHBEOCTCUQRZ-CHWSQXEVSA-N 0 1 265.401 3.595 20 0 CHADMN CC[C@@H]1CCCN([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000642330225 1129414444 /nfs/dbraw/zinc/41/44/44/1129414444.db2.gz BBVZPBTYAQDDCG-NWDGAFQWSA-N 0 1 291.420 3.981 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1c(F)ccc(F)c1F ZINC001241047572 1129416983 /nfs/dbraw/zinc/41/69/83/1129416983.db2.gz DUOAKBABERCQQJ-UHFFFAOYSA-N 0 1 278.233 3.656 20 0 CHADMN CCCCCC(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000642588543 1129421246 /nfs/dbraw/zinc/42/12/46/1129421246.db2.gz GUZIDTCZRNNUCL-UHFFFAOYSA-N 0 1 292.770 3.644 20 0 CHADMN CCCCCC[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000740874536 1129421985 /nfs/dbraw/zinc/42/19/85/1129421985.db2.gz NFIJTKQQLUNFIL-UHFFFAOYSA-N 0 1 289.419 3.867 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])C1 ZINC000248561539 1129422367 /nfs/dbraw/zinc/42/23/67/1129422367.db2.gz NNQBDYVUCRKSIU-HHARLNAUSA-N 0 1 293.451 3.921 20 0 CHADMN C[C@H](C(=O)OC/C=C\c1ccccc1)N1CCCCCC1 ZINC000741033302 1129426410 /nfs/dbraw/zinc/42/64/10/1129426410.db2.gz PDVQKHFVJPSWCB-HMWXGYMHSA-N 0 1 287.403 3.508 20 0 CHADMN Cc1cc(C)cc(COC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)c1 ZINC000741017693 1129426501 /nfs/dbraw/zinc/42/65/01/1129426501.db2.gz QIQSVYUSUXOWMH-JYJNAYRXSA-N 0 1 289.419 3.608 20 0 CHADMN C[C@@H](OC(=O)[C@@H](C)N1CCCCCC1)c1ccc(F)cc1 ZINC000741030502 1129426803 /nfs/dbraw/zinc/42/68/03/1129426803.db2.gz WXDOUEJMCNMSJH-ZIAGYGMSSA-N 0 1 293.382 3.694 20 0 CHADMN C[C@H](COC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)c1ccccc1 ZINC000741018677 1129426822 /nfs/dbraw/zinc/42/68/22/1129426822.db2.gz UOGULGKRXVXPNB-UGUYLWEFSA-N 0 1 289.419 3.595 20 0 CHADMN CC[C@H](OC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC000741030173 1129426910 /nfs/dbraw/zinc/42/69/10/1129426910.db2.gz DOHYPVTVKMMRET-RDJZCZTQSA-N 0 1 289.419 3.945 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)C[C@H]1CCC=CO1 ZINC000248823599 1129427805 /nfs/dbraw/zinc/42/78/05/1129427805.db2.gz FREIGENSKIMPOB-WCQYABFASA-N 0 1 267.319 3.650 20 0 CHADMN CCc1nn(C)cc1CN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000179665416 1129431008 /nfs/dbraw/zinc/43/10/08/1129431008.db2.gz BFEPFUFWUPJBJO-ZDUSSCGKSA-N 0 1 297.402 3.922 20 0 CHADMN CCc1nn(C)cc1CN(CC)Cc1cccc(Cl)c1 ZINC000179693135 1129431788 /nfs/dbraw/zinc/43/17/88/1129431788.db2.gz NTTDEADEEMWZBR-UHFFFAOYSA-N 0 1 291.826 3.658 20 0 CHADMN C[C@@H]1CC[C@@H](c2ccccc2)N(Cn2cc[nH]c2=S)C1 ZINC000795704220 1129431932 /nfs/dbraw/zinc/43/19/32/1129431932.db2.gz OKKJOUWFXFYAJB-HIFRSBDPSA-N 0 1 287.432 3.603 20 0 CHADMN Fc1c(Cl)cccc1CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000179856334 1129434243 /nfs/dbraw/zinc/43/42/43/1129434243.db2.gz LIGAJZZOSUGFRF-NSHDSACASA-N 0 1 293.773 3.582 20 0 CHADMN Fc1ccc2[nH]c3c(c2c1)CN(C1CCCC1)CC3 ZINC000179948153 1129437758 /nfs/dbraw/zinc/43/77/58/1129437758.db2.gz XQDHHESVTBAHJN-UHFFFAOYSA-N 0 1 258.340 3.608 20 0 CHADMN CCCOC(=O)[C@@H](C)Sc1nc2ccc(Cl)cc2[nH]1 ZINC000741736459 1129449803 /nfs/dbraw/zinc/44/98/03/1129449803.db2.gz RMTUGNCIFACQHW-MRVPVSSYSA-N 0 1 298.795 3.650 20 0 CHADMN Cc1cc(C(C)C)nc(-c2c(F)cc(O)cc2F)n1 ZINC001241118857 1129457501 /nfs/dbraw/zinc/45/75/01/1129457501.db2.gz HOMASEJGMVAQDV-UHFFFAOYSA-N 0 1 264.275 3.559 20 0 CHADMN Cc1nc2ccc(Nc3ccc(C(F)F)cn3)cc2[nH]1 ZINC001213073124 1129466084 /nfs/dbraw/zinc/46/60/84/1129466084.db2.gz FMKCMSJDDJJEGB-UHFFFAOYSA-N 0 1 274.274 3.948 20 0 CHADMN O=C(NOCc1ccccc1)[C@@H]1CCSc2ccccc21 ZINC000742037163 1129466188 /nfs/dbraw/zinc/46/61/88/1129466188.db2.gz VCAHOXQSLVACCS-OAHLLOKOSA-N 0 1 299.395 3.514 20 0 CHADMN CC(C)(NCc1n[nH]c2ccccc12)c1ccccc1F ZINC000644440701 1129466218 /nfs/dbraw/zinc/46/62/18/1129466218.db2.gz ORXLYTXBGFKKBG-UHFFFAOYSA-N 0 1 283.350 3.727 20 0 CHADMN CC(C)(NCc1[nH]nc2ccccc21)c1ccccc1F ZINC000644440701 1129466221 /nfs/dbraw/zinc/46/62/21/1129466221.db2.gz ORXLYTXBGFKKBG-UHFFFAOYSA-N 0 1 283.350 3.727 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@H]1CCSc2ccc(F)cc21 ZINC000180279328 1129466546 /nfs/dbraw/zinc/46/65/46/1129466546.db2.gz VKZVJCQAZYGBSI-OTYXRUKQSA-N 0 1 291.395 3.745 20 0 CHADMN FCCN1CCC([C@H](F)c2ccccc2F)CC1 ZINC000796131135 1129467415 /nfs/dbraw/zinc/46/74/15/1129467415.db2.gz ADLDFRHNCWASKO-AWEZNQCLSA-N 0 1 257.299 3.518 20 0 CHADMN CCCCC[C@@H](CCC)N[C@H](C(=O)OC)C(C)C ZINC001258661406 1129468683 /nfs/dbraw/zinc/46/86/83/1129468683.db2.gz FQTCRLCTXFHVOA-KGLIPLIRSA-N 0 1 257.418 3.523 20 0 CHADMN CCOc1ccc(CNCc2c(C)cccc2F)cc1 ZINC000742381018 1129472996 /nfs/dbraw/zinc/47/29/96/1129472996.db2.gz NACNUAZCSQPSOX-UHFFFAOYSA-N 0 1 273.351 3.823 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CNCc2c(C)cccc2F)o1 ZINC000742381431 1129473134 /nfs/dbraw/zinc/47/31/34/1129473134.db2.gz SWISGVZCMGRRBM-UHFFFAOYSA-N 0 1 299.349 3.715 20 0 CHADMN Cc1cnc([C@@H](C)N2CCS[C@H](c3ccccc3)C2)cn1 ZINC000644668659 1129473692 /nfs/dbraw/zinc/47/36/92/1129473692.db2.gz GNGSAXFDTHGXSE-PBHICJAKSA-N 0 1 299.443 3.636 20 0 CHADMN Fc1cccc(CN2CCC(C3CC3)CC2)c1F ZINC000644718743 1129476575 /nfs/dbraw/zinc/47/65/75/1129476575.db2.gz CRKUXPOSHHWXID-UHFFFAOYSA-N 0 1 251.320 3.587 20 0 CHADMN CC(C)(C)c1nc(CN2CCC(C3CCCC3)CC2)n[nH]1 ZINC000644995076 1129483428 /nfs/dbraw/zinc/48/34/28/1129483428.db2.gz XWWAVQNNWJHJKA-UHFFFAOYSA-N 0 1 290.455 3.504 20 0 CHADMN CCc1ccc(CN2C[C@@H](C(F)(F)F)CC[C@H]2C)nc1 ZINC000645113689 1129487897 /nfs/dbraw/zinc/48/78/97/1129487897.db2.gz BIVWBPIAZGKNCZ-YPMHNXCESA-N 0 1 286.341 3.807 20 0 CHADMN COc1ccc(F)c(CN[C@H](C)c2ccccc2C)c1 ZINC000645143512 1129488835 /nfs/dbraw/zinc/48/88/35/1129488835.db2.gz CMSDPSVILNTRLJ-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN CCCCc1nc2ccc(NC(=O)/C=C\C3CC3)cc2[nH]1 ZINC000742589531 1129488964 /nfs/dbraw/zinc/48/89/64/1129488964.db2.gz ADPSMLXYQGWWPH-YFHOEESVSA-N 0 1 283.375 3.810 20 0 CHADMN CC(C)C([NH2+]Cc1cccc([O-])c1Cl)C(C)C ZINC000645166248 1129490152 /nfs/dbraw/zinc/49/01/52/1129490152.db2.gz FGYMDYFUUJRKMN-UHFFFAOYSA-N 0 1 255.789 3.816 20 0 CHADMN COc1ccc(F)c(CN[C@@H](C)c2ccsc2)c1 ZINC000645178458 1129490447 /nfs/dbraw/zinc/49/04/47/1129490447.db2.gz HYCWDZPVXHZVMG-JTQLQIEISA-N 0 1 265.353 3.747 20 0 CHADMN CCCCCC[C@@](C)(CC)C(=O)N[C@H]1CCCN(C)C1 ZINC000742641061 1129492769 /nfs/dbraw/zinc/49/27/69/1129492769.db2.gz ZICBXPPIKDOVGF-DOTOQJQBSA-N 0 1 282.472 3.584 20 0 CHADMN c1ccc(-c2noc([C@@H]3CC[C@H]4CCCC[C@H]4N3)n2)cc1 ZINC000250861129 1129501375 /nfs/dbraw/zinc/50/13/75/1129501375.db2.gz SMYYADUJVYYQIS-YUELXQCFSA-N 0 1 283.375 3.720 20 0 CHADMN C[C@H]1CO[C@H](c2ccccc2)CN1CC1=CCCC1 ZINC000645791136 1129506910 /nfs/dbraw/zinc/50/69/10/1129506910.db2.gz NBSHCDVRMLOXCL-YOEHRIQHSA-N 0 1 257.377 3.559 20 0 CHADMN Clc1ccc(CNCc2ccc3occc3c2)cn1 ZINC000796270492 1129507442 /nfs/dbraw/zinc/50/74/42/1129507442.db2.gz HTKGTFAWZBSLIL-UHFFFAOYSA-N 0 1 272.735 3.771 20 0 CHADMN FC(F)(F)C1(C(F)(F)F)CCN(CC2=CCCC2)C1 ZINC000645805187 1129507772 /nfs/dbraw/zinc/50/77/72/1129507772.db2.gz WILOUXIWAQOLJG-UHFFFAOYSA-N 0 1 287.247 3.913 20 0 CHADMN Cc1nc(C(C)(C)NCC2=CCCC2)sc1C ZINC000645833082 1129508483 /nfs/dbraw/zinc/50/84/83/1129508483.db2.gz ZHBGUGNJLCEUGY-UHFFFAOYSA-N 0 1 250.411 3.695 20 0 CHADMN C1=C(CN[C@@H](c2ccccc2)c2ccccn2)CCC1 ZINC000645817287 1129508705 /nfs/dbraw/zinc/50/87/05/1129508705.db2.gz AAYCEQWBSKOYHY-SFHVURJKSA-N 0 1 264.372 3.871 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1ccc(C)cc1OCC1CC1 ZINC000180739416 1129510735 /nfs/dbraw/zinc/51/07/35/1129510735.db2.gz XRJRJYAOCCPWPX-ZDUSSCGKSA-N 0 1 299.418 3.666 20 0 CHADMN CCCN(Cc1csc(Br)n1)CC1CC1 ZINC001137577046 1131378979 /nfs/dbraw/zinc/37/89/79/1131378979.db2.gz KRNDKXWMNWPQPA-UHFFFAOYSA-N 0 1 289.242 3.528 20 0 CHADMN CSc1cccc(-c2c[nH]cc3nc(C)nc2-3)c1 ZINC001241316493 1129515598 /nfs/dbraw/zinc/51/55/98/1129515598.db2.gz XWWJZMCQDOVYNE-UHFFFAOYSA-N 0 1 255.346 3.655 20 0 CHADMN CSc1cccc(-c2cncc3[nH]c(C)nc32)c1 ZINC001241316493 1129515600 /nfs/dbraw/zinc/51/56/00/1129515600.db2.gz XWWJZMCQDOVYNE-UHFFFAOYSA-N 0 1 255.346 3.655 20 0 CHADMN Cc1cc(C)c(-c2ccc(CN(C)C)cn2)c(C)c1 ZINC001239548212 1131379275 /nfs/dbraw/zinc/37/92/75/1131379275.db2.gz SZXDVGMMHDEBHC-UHFFFAOYSA-N 0 1 254.377 3.735 20 0 CHADMN COc1ccncc1CNC1(c2cccc(C)c2)CCC1 ZINC000646022575 1129518459 /nfs/dbraw/zinc/51/84/59/1129518459.db2.gz RTICBWMDZKGQLW-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN Cc1cc(C)cc(CN[C@@H](CCO)c2ccccc2F)c1 ZINC000646067473 1129519994 /nfs/dbraw/zinc/51/99/94/1129519994.db2.gz ZMUCSGAYFFGIEC-SFHVURJKSA-N 0 1 287.378 3.656 20 0 CHADMN CC(C)(C)CN(Cc1ccccc1)Cn1cc[nH]c1=S ZINC000743363170 1129520621 /nfs/dbraw/zinc/52/06/21/1129520621.db2.gz SPLUZKFJBDQVEQ-UHFFFAOYSA-N 0 1 289.448 3.678 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000251292524 1129521587 /nfs/dbraw/zinc/52/15/87/1129521587.db2.gz RWBFPIWQDHLOSP-YJBOKZPZSA-N 0 1 289.419 3.757 20 0 CHADMN C[C@H](N(C)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1)C(C)(C)C ZINC000743347642 1129521993 /nfs/dbraw/zinc/52/19/93/1129521993.db2.gz DXHXQKRDFJJCIJ-DZKIICNBSA-N 0 1 288.435 3.530 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)CC2(CCCC2)O1 ZINC000646135360 1129525210 /nfs/dbraw/zinc/52/52/10/1129525210.db2.gz KGNWYOFIRPPDQA-OAHLLOKOSA-N 0 1 296.414 3.768 20 0 CHADMN CCCCc1noc(CN2CCCC[C@@H]2C2CCC2)n1 ZINC000646137443 1129526193 /nfs/dbraw/zinc/52/61/93/1129526193.db2.gz GTGHUERTFLAOMO-CQSZACIVSA-N 0 1 277.412 3.567 20 0 CHADMN C1CCC(c2noc([C@@H]3CC[C@@H]4CCCC[C@H]4N3)n2)C1 ZINC000251386452 1129527626 /nfs/dbraw/zinc/52/76/26/1129527626.db2.gz QQAJMKXDEODAFA-YUTCNCBUSA-N 0 1 275.396 3.711 20 0 CHADMN C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccc([O-])c1Cl ZINC000646193752 1129529030 /nfs/dbraw/zinc/52/90/30/1129529030.db2.gz DZEOYRZQIWHTQN-GXTWGEPZSA-N 0 1 297.826 3.561 20 0 CHADMN C[C@@H]1CCC[C@H](C(=O)Nc2c(=O)[nH][nH]c2-c2ccccc2)C1 ZINC000646465019 1129537966 /nfs/dbraw/zinc/53/79/66/1129537966.db2.gz GBMRYROSBXYNFM-YPMHNXCESA-N 0 1 299.374 3.547 20 0 CHADMN Cc1ccc(-c2noc(CN3CCC4(CCCC4)C3)n2)cc1 ZINC000743864952 1129542443 /nfs/dbraw/zinc/54/24/43/1129542443.db2.gz XPICNDGJHCNJIH-UHFFFAOYSA-N 0 1 297.402 3.811 20 0 CHADMN CO[C@H](C)c1cccc(N[C@@H](C)c2cn[nH]c2C)c1 ZINC000181210352 1129542820 /nfs/dbraw/zinc/54/28/20/1129542820.db2.gz AHJNRFZAIUAOAX-CMPLNLGQSA-N 0 1 259.353 3.599 20 0 CHADMN Fc1ccc(-n2ccc(CN3CCC4(CCCC4)C3)n2)cc1 ZINC000743863585 1129543451 /nfs/dbraw/zinc/54/34/51/1129543451.db2.gz KCUGGXFXJSYAAY-UHFFFAOYSA-N 0 1 299.393 3.778 20 0 CHADMN O=C(/C=C/Sc1ccccc1)Nc1ccc2nc[nH]c2c1 ZINC000743941759 1129544188 /nfs/dbraw/zinc/54/41/88/1129544188.db2.gz ZYQNUENHYQIXIE-CMDGGOBGSA-N 0 1 295.367 3.807 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cc3occc3s2)n1 ZINC000647132578 1129551446 /nfs/dbraw/zinc/55/14/46/1129551446.db2.gz DGBCNMAJFPDYNH-QMMMGPOBSA-N 0 1 277.349 3.590 20 0 CHADMN C/C(=C\c1cccc(Cl)c1)c1nc([C@H]2CCCN2)no1 ZINC000647147636 1129551703 /nfs/dbraw/zinc/55/17/03/1129551703.db2.gz WQKLLLNROJNTIX-AORWBKJGSA-N 0 1 289.766 3.708 20 0 CHADMN c1ccc([C@H]2CCCC[C@H]2c2nc([C@@H]3CCCN3)no2)cc1 ZINC000647145313 1129551884 /nfs/dbraw/zinc/55/18/84/1129551884.db2.gz SHLMIDBKYHUTSJ-OAGGEKHMSA-N 0 1 297.402 3.936 20 0 CHADMN CC(C)(CCCc1ccccc1)c1nc([C@H]2CCCN2)no1 ZINC000647148991 1129552051 /nfs/dbraw/zinc/55/20/51/1129552051.db2.gz AYVSQZVICFAITJ-OAHLLOKOSA-N 0 1 299.418 3.795 20 0 CHADMN c1ccc([C@H]2CCCC[C@H]2c2nc([C@H]3CCCN3)no2)cc1 ZINC000647145312 1129552087 /nfs/dbraw/zinc/55/20/87/1129552087.db2.gz SHLMIDBKYHUTSJ-BZUAXINKSA-N 0 1 297.402 3.936 20 0 CHADMN Cc1ccc(C2(c3nc([C@@H](N)CC(C)C)no3)CCC2)cc1 ZINC000647135018 1129552140 /nfs/dbraw/zinc/55/21/40/1129552140.db2.gz XWWDYRVZPUAGGI-HNNXBMFYSA-N 0 1 299.418 3.894 20 0 CHADMN CC/C(=C/c1nc([C@H]2CCCN2)no1)c1ccc(C)cc1 ZINC000647149242 1129552695 /nfs/dbraw/zinc/55/26/95/1129552695.db2.gz HOAYVFKRVMNJKJ-BMOGTNHUSA-N 0 1 283.375 3.753 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1N[C@@H]1CO[C@@H](C)C1 ZINC000647210684 1129556688 /nfs/dbraw/zinc/55/66/88/1129556688.db2.gz UJVUXUBLXFZRDP-HOTGVXAUSA-N 0 1 288.435 3.965 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2ccccc21)c1cc2n(n1)CCCC2 ZINC000647279908 1129563524 /nfs/dbraw/zinc/56/35/24/1129563524.db2.gz FLFSYSGCTUDFFB-RDTXWAMCSA-N 0 1 295.430 3.948 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2C[C@@H]1C)c1cc2n(n1)CCCC2 ZINC000647292718 1129565069 /nfs/dbraw/zinc/56/50/69/1129565069.db2.gz CBMUWXQWSRJMPP-CKFHNAJUSA-N 0 1 295.430 3.804 20 0 CHADMN Cc1ccc(CN[C@@H](CC(C)C)c2ccncc2)nc1C ZINC000647307234 1129567219 /nfs/dbraw/zinc/56/72/19/1129567219.db2.gz WOZLMJKPGVEUIY-SFHVURJKSA-N 0 1 283.419 3.970 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NC1(c2ccccc2F)CCC1 ZINC000647332567 1129570699 /nfs/dbraw/zinc/57/06/99/1129570699.db2.gz AMNKAQRTIVHCET-GFCCVEGCSA-N 0 1 287.382 3.598 20 0 CHADMN CCC(C)(C)COC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000744330636 1129571371 /nfs/dbraw/zinc/57/13/71/1129571371.db2.gz XPIIAYWYTUUHFU-UHFFFAOYSA-N 0 1 286.375 3.978 20 0 CHADMN COc1cc(F)c(C(C)C)cc1C1=CCCN(C)C1 ZINC001241570290 1129584587 /nfs/dbraw/zinc/58/45/87/1129584587.db2.gz GMACLZAIDDSUJS-UHFFFAOYSA-N 0 1 263.356 3.677 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2c2ccccc2C)co1 ZINC000647959754 1129588544 /nfs/dbraw/zinc/58/85/44/1129588544.db2.gz JUZZWWUBFMDINF-MRXNPFEDSA-N 0 1 256.349 3.629 20 0 CHADMN C[C@@H](NCc1cccc(N)c1)c1ccccc1Cl ZINC000647967134 1129589704 /nfs/dbraw/zinc/58/97/04/1129589704.db2.gz UASVPOSHFFAKOY-LLVKDONJSA-N 0 1 260.768 3.773 20 0 CHADMN Cc1n[nH]cc1CN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000648074285 1129596713 /nfs/dbraw/zinc/59/67/13/1129596713.db2.gz LHHATDAMEQIICK-KRWDZBQOSA-N 0 1 279.387 3.611 20 0 CHADMN CC(C)[C@H]1N(Cc2cn(C)nc2C(F)F)CC12CC=CC2 ZINC000648073029 1129596999 /nfs/dbraw/zinc/59/69/99/1129596999.db2.gz ZPFCNXHHWBURFB-CQSZACIVSA-N 0 1 295.377 3.534 20 0 CHADMN C[C@@]1(CN2CCc3ccc(F)cc3C2)CC1(Cl)Cl ZINC000828391786 1131384429 /nfs/dbraw/zinc/38/44/29/1131384429.db2.gz AMYBCIRISWJPDZ-ZDUSSCGKSA-N 0 1 288.193 3.768 20 0 CHADMN CC[C@H](CC1CCCCC1)C(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC001137610894 1131385310 /nfs/dbraw/zinc/38/53/10/1131385310.db2.gz JJZMWUMYMCWGBP-HLLBOEOZSA-N 0 1 294.483 3.534 20 0 CHADMN Cc1cc(CN2CCC[C@@H](OCC(F)(F)F)C2)cs1 ZINC000648360199 1129604084 /nfs/dbraw/zinc/60/40/84/1129604084.db2.gz CGXVBYOPGNMWTP-GFCCVEGCSA-N 0 1 293.354 3.600 20 0 CHADMN COc1ncccc1CN[C@H](c1ccc(C)cc1)C1CC1 ZINC000037650221 1129605903 /nfs/dbraw/zinc/60/59/03/1129605903.db2.gz VNISKQOIMIUBJQ-QGZVFWFLSA-N 0 1 282.387 3.640 20 0 CHADMN C[C@H]1c2cccn2CCN1Cc1cccc2cnccc21 ZINC000182960129 1129615801 /nfs/dbraw/zinc/61/58/01/1129615801.db2.gz OENJFUFEONVCFN-AWEZNQCLSA-N 0 1 277.371 3.613 20 0 CHADMN CCC[C@@H](CNCc1coc(-c2ccc(C)cc2)n1)OC ZINC000648633974 1129617030 /nfs/dbraw/zinc/61/70/30/1129617030.db2.gz XUPZONCBUJLUKK-INIZCTEOSA-N 0 1 288.391 3.555 20 0 CHADMN CN(Cc1cscc1Cl)C[C@@](C)(O)c1ccccc1 ZINC000822516032 1131385972 /nfs/dbraw/zinc/38/59/72/1131385972.db2.gz HTCQPQMESVEITD-OAHLLOKOSA-N 0 1 295.835 3.741 20 0 CHADMN CC[C@@H](C)[C@@H](CNCc1csc(-c2ccco2)n1)OC ZINC000648658397 1129618699 /nfs/dbraw/zinc/61/86/99/1129618699.db2.gz DLDZQVJGMYWRKM-BXUZGUMPSA-N 0 1 294.420 3.554 20 0 CHADMN C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1n[nH]c2ccccc21 ZINC000648719253 1129623961 /nfs/dbraw/zinc/62/39/61/1129623961.db2.gz PZTKTDHGTQMMAZ-WDEREUQCSA-N 0 1 297.324 3.726 20 0 CHADMN C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1[nH]nc2ccccc21 ZINC000648719253 1129623965 /nfs/dbraw/zinc/62/39/65/1129623965.db2.gz PZTKTDHGTQMMAZ-WDEREUQCSA-N 0 1 297.324 3.726 20 0 CHADMN CO[C@H]1CCN(Cc2cscc2Cl)CC1(C)C ZINC000648742469 1129624401 /nfs/dbraw/zinc/62/44/01/1129624401.db2.gz FEXUAROLMPQZMJ-LBPRGKRZSA-N 0 1 273.829 3.648 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccccc1)c1ccnc(Cl)c1 ZINC000305106600 1129628376 /nfs/dbraw/zinc/62/83/76/1129628376.db2.gz BOBGBKZKZWYQGI-IUODEOHRSA-N 0 1 290.794 3.509 20 0 CHADMN CN(Cc1ccn(-c2cccc(F)c2)n1)C1CC(C)(C)C1 ZINC001170991053 1131386942 /nfs/dbraw/zinc/38/69/42/1131386942.db2.gz RCLCLOZBWMGJKZ-UHFFFAOYSA-N 0 1 287.382 3.632 20 0 CHADMN FC(F)(F)[C@@H]1CCCN(CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822564470 1131387550 /nfs/dbraw/zinc/38/75/50/1131387550.db2.gz FVBKMRROAQRINY-RKDXNWHRSA-N 0 1 290.156 3.845 20 0 CHADMN CSc1ccc([C@@H](C)NCc2cc(C)ccn2)cc1 ZINC000380958732 1129642520 /nfs/dbraw/zinc/64/25/20/1129642520.db2.gz VYKCFUNGDBXEJL-CYBMUJFWSA-N 0 1 272.417 3.963 20 0 CHADMN COc1cc(CN[C@@H](C)c2c(C)noc2C)ccc1Cl ZINC000649410993 1129644118 /nfs/dbraw/zinc/64/41/18/1129644118.db2.gz XSFMYGMJRYUACL-VIFPVBQESA-N 0 1 294.782 3.804 20 0 CHADMN c1nc2ccc(-c3cccc(CO[C@H]4CCOC4)c3)cc2[nH]1 ZINC000649442381 1129649965 /nfs/dbraw/zinc/64/99/65/1129649965.db2.gz MATRSWAZMNFVQB-INIZCTEOSA-N 0 1 294.354 3.535 20 0 CHADMN COc1cccc2c1CN(c1ccnc(C)c1Cl)CC2 ZINC000649468888 1129651213 /nfs/dbraw/zinc/65/12/13/1129651213.db2.gz JUKHTGYNXNYHGF-UHFFFAOYSA-N 0 1 288.778 3.615 20 0 CHADMN Cc1cccc(CN[C@@H]2C[C@H](C)c3ccccc32)n1 ZINC000388645391 1129656005 /nfs/dbraw/zinc/65/60/05/1129656005.db2.gz YMFJBGAQPLYHRI-YVEFUNNKSA-N 0 1 252.361 3.728 20 0 CHADMN Cc1ccc([C@H](C)NCc2cnc(C(F)(F)F)nc2)cc1 ZINC000649573609 1129659458 /nfs/dbraw/zinc/65/94/58/1129659458.db2.gz JSEJLJNZSXPQCI-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN CC(C)n1ccn(CN2CC[C@H](C)[C@H](C)C2)c1=S ZINC000766379227 1129660982 /nfs/dbraw/zinc/66/09/82/1129660982.db2.gz BNJZRUQPFBIVQY-QWHCGFSZSA-N 0 1 267.442 3.535 20 0 CHADMN CC[C@H](OCCN(C)Cc1ccccn1)c1ccccc1 ZINC000649620073 1129663993 /nfs/dbraw/zinc/66/39/93/1129663993.db2.gz LITUTWXYVNAEHU-SFHVURJKSA-N 0 1 284.403 3.681 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CCC12CCCC2 ZINC000649655917 1129666556 /nfs/dbraw/zinc/66/65/56/1129666556.db2.gz WBJWVPBEIBKXHM-UHFFFAOYSA-N 0 1 286.419 3.767 20 0 CHADMN c1nc(CN2CCC23CCCC3)oc1-c1ccccc1 ZINC000649656010 1129667020 /nfs/dbraw/zinc/66/70/20/1129667020.db2.gz YSWLJMBFFPZEHR-UHFFFAOYSA-N 0 1 268.360 3.860 20 0 CHADMN C[C@@H](CSc1ccccc1)N(C)Cc1cncc(F)c1 ZINC000649665500 1129668493 /nfs/dbraw/zinc/66/84/93/1129668493.db2.gz MZASHCHHWVNKHP-ZDUSSCGKSA-N 0 1 290.407 3.833 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CCC(C2(O)CC2)CC1 ZINC000649671149 1129669650 /nfs/dbraw/zinc/66/96/50/1129669650.db2.gz KVIPHQLKCHSQCU-LLVKDONJSA-N 0 1 297.801 3.777 20 0 CHADMN CSc1cc(C)ccc1NC(=O)[C@H]1CCCN1C(C)C ZINC000822624356 1131389681 /nfs/dbraw/zinc/38/96/81/1131389681.db2.gz BFJJDJHCNVPGFY-CQSZACIVSA-N 0 1 292.448 3.528 20 0 CHADMN Cc1nc2cc(N[C@H](C)c3ccc(C)cn3)ccc2[nH]1 ZINC001168852605 1129676585 /nfs/dbraw/zinc/67/65/85/1129676585.db2.gz AHSGGYXDLKXVAG-LLVKDONJSA-N 0 1 266.348 3.748 20 0 CHADMN Cc1ccc([C@H](C)Nc2cn3ccnc3cc2C)nc1 ZINC001168854682 1129677290 /nfs/dbraw/zinc/67/72/90/1129677290.db2.gz OQIJVQLZKCCVEI-ZDUSSCGKSA-N 0 1 266.348 3.519 20 0 CHADMN Cc1ccc([C@H](C)Nc2cc3nc[nH]c3cc2F)nc1 ZINC001168861413 1129677901 /nfs/dbraw/zinc/67/79/01/1129677901.db2.gz VYVBLXZUGAUWDA-JTQLQIEISA-N 0 1 270.311 3.579 20 0 CHADMN C[C@H](NC1(C2CCC2)CC1)c1nc(-c2ccccc2)no1 ZINC000649806972 1129678366 /nfs/dbraw/zinc/67/83/66/1129678366.db2.gz HOWBOSDEACQWEI-LBPRGKRZSA-N 0 1 283.375 3.720 20 0 CHADMN C[C@H](CO)C1CCN([C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000649803868 1129678573 /nfs/dbraw/zinc/67/85/73/1129678573.db2.gz RNFLHFRPPIIZKB-NEPJUHHUSA-N 0 1 299.817 3.881 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CCc2ccccc2[C@H](C)C1 ZINC000649832983 1129680483 /nfs/dbraw/zinc/68/04/83/1129680483.db2.gz AVPFSHOCQDMGKL-CHWSQXEVSA-N 0 1 297.402 3.670 20 0 CHADMN CC(C)C[C@]1(C)CCCN1Cc1nc2ccccc2c(=O)[nH]1 ZINC000649828308 1129680542 /nfs/dbraw/zinc/68/05/42/1129680542.db2.gz MJPHOUYYYHAZSP-SFHVURJKSA-N 0 1 299.418 3.736 20 0 CHADMN Cc1nnc([C@@H](C)N2CCc3ccccc3[C@H](C)C2)s1 ZINC000649835584 1129681837 /nfs/dbraw/zinc/68/18/37/1129681837.db2.gz LUOPOIOYBNHAES-VXGBXAGGSA-N 0 1 287.432 3.569 20 0 CHADMN Cc1ccc(CN(C)C[C@@H](OC(C)C)c2ccccc2)nc1 ZINC000649904309 1129685233 /nfs/dbraw/zinc/68/52/33/1129685233.db2.gz SJUJGBWHBBGVJF-LJQANCHMSA-N 0 1 298.430 3.988 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(C(F)F)c2)nc1 ZINC000649904208 1129685741 /nfs/dbraw/zinc/68/57/41/1129685741.db2.gz OSVIFBYAVKITKK-UHFFFAOYSA-N 0 1 276.330 3.960 20 0 CHADMN FC1(F)C[C@@]12CCN(Cc1nc3ccccc3s1)C2 ZINC000649901504 1129685830 /nfs/dbraw/zinc/68/58/30/1129685830.db2.gz NJZCKFOTMYHTCQ-CYBMUJFWSA-N 0 1 280.343 3.527 20 0 CHADMN Oc1cc(F)ccc1-c1ccc2cccc(F)c2n1 ZINC001242217924 1129688454 /nfs/dbraw/zinc/68/84/54/1129688454.db2.gz NIZNOOXBIQIFJN-UHFFFAOYSA-N 0 1 257.239 3.886 20 0 CHADMN Cc1ccnc(CN(C)Cc2ccc(C)c(C)c2)c1 ZINC000650311645 1129703503 /nfs/dbraw/zinc/70/35/03/1129703503.db2.gz VPQCRFGIJTWSDB-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN Cc1cc(C)c(CN2Cc3ccccc3OC[C@@H]2C)c(C)n1 ZINC001169188029 1129706787 /nfs/dbraw/zinc/70/67/87/1129706787.db2.gz OBWKIQNSAIKUON-HNNXBMFYSA-N 0 1 296.414 3.790 20 0 CHADMN Cc1cc2nccn2cc1N[C@@H]1CCCC(F)(F)C1 ZINC001169216739 1129709296 /nfs/dbraw/zinc/70/92/96/1129709296.db2.gz AIDNZMGKORBQCM-LLVKDONJSA-N 0 1 265.307 3.633 20 0 CHADMN FC(F)Oc1ccnc(N[C@H]2CCCC(F)(F)C2)c1 ZINC001169219178 1129709798 /nfs/dbraw/zinc/70/97/98/1129709798.db2.gz OMFNJCJNABGBNB-QMMMGPOBSA-N 0 1 278.249 3.673 20 0 CHADMN c1nc2cc(-c3noc([C@H]4C[C@@H]4C4CCCC4)n3)ccc2[nH]1 ZINC000650558024 1129713485 /nfs/dbraw/zinc/71/34/85/1129713485.db2.gz AFDUYAAVUBDLAK-OLZOCXBDSA-N 0 1 294.358 3.907 20 0 CHADMN CCc1ccc([C@@H]2CN(CCC3CCC3)CCO2)cc1 ZINC001169285170 1129715092 /nfs/dbraw/zinc/71/50/92/1129715092.db2.gz UIJSCKLZMKFKEZ-SFHVURJKSA-N 0 1 273.420 3.813 20 0 CHADMN COc1cccc(CN2CCCC(C)(C)C2)c1Cl ZINC001169301811 1129717381 /nfs/dbraw/zinc/71/73/81/1129717381.db2.gz YTGLCKQVOXTJDF-UHFFFAOYSA-N 0 1 267.800 3.971 20 0 CHADMN Cc1cc(N[C@H]2C[C@@H](C)c3ccccc32)nc2[nH]cnc21 ZINC001169367056 1129720705 /nfs/dbraw/zinc/72/07/05/1129720705.db2.gz RITKTTCYLSGLOY-YGRLFVJLSA-N 0 1 278.359 3.927 20 0 CHADMN C[C@@]1(CN2CCc3cc(F)ccc3C2)CC1(Cl)Cl ZINC000828603597 1131393227 /nfs/dbraw/zinc/39/32/27/1131393227.db2.gz GJQIQJIRVXHAHO-ZDUSSCGKSA-N 0 1 288.193 3.768 20 0 CHADMN C[C@H]1C[C@H](Nc2cccc(CN(C)C)n2)c2ccccc21 ZINC001169379638 1129723076 /nfs/dbraw/zinc/72/30/76/1129723076.db2.gz XRTKNYUDPZPJFH-GUYCJALGSA-N 0 1 281.403 3.804 20 0 CHADMN CCCCCC[C@@H](C)CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000766691890 1129725770 /nfs/dbraw/zinc/72/57/70/1129725770.db2.gz NFUXBBRFVXAGKS-HIFRSBDPSA-N 0 1 291.439 3.900 20 0 CHADMN CCC(=O)CCCN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000828619845 1131393814 /nfs/dbraw/zinc/39/38/14/1131393814.db2.gz MUEVGIWRRYVWDV-UHFFFAOYSA-N 0 1 292.810 3.583 20 0 CHADMN C[C@@H](CNc1cc(OCC2CC2)ccn1)c1ccc(O)cc1 ZINC001169534021 1129733743 /nfs/dbraw/zinc/73/37/43/1129733743.db2.gz FVDVPQBBXBSARL-ZDUSSCGKSA-N 0 1 298.386 3.792 20 0 CHADMN c1ncn2cccc(NCCc3coc4ccccc34)c12 ZINC001169598959 1129739492 /nfs/dbraw/zinc/73/94/92/1129739492.db2.gz WSHDVXSDJPFBCL-UHFFFAOYSA-N 0 1 277.327 3.735 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1NCc1cnc(C2CC2)o1 ZINC000651470723 1129740130 /nfs/dbraw/zinc/74/01/30/1129740130.db2.gz CSPNMJDPVSDVLE-SJKOYZFVSA-N 0 1 282.387 3.965 20 0 CHADMN CC(C)c1nc(CN(C)Cc2ccco2)c2ccccn21 ZINC000651608344 1129742659 /nfs/dbraw/zinc/74/26/59/1129742659.db2.gz VTABXYIGEPYAHZ-UHFFFAOYSA-N 0 1 283.375 3.683 20 0 CHADMN CC[C@H](C[C@@H](C)CC)NC(CC)(CC)C(=O)OC ZINC001258787024 1129744597 /nfs/dbraw/zinc/74/45/97/1129744597.db2.gz DLEBVLJHRFXAIU-QWHCGFSZSA-N 0 1 257.418 3.523 20 0 CHADMN Cc1ccccc1[C@]1(F)CCN(C[C@H](O)CCC(C)C)C1 ZINC001169715659 1129750223 /nfs/dbraw/zinc/75/02/23/1129750223.db2.gz MYBCQVKZRLZJCY-AEFFLSMTSA-N 0 1 293.426 3.663 20 0 CHADMN Cc1cc(F)c(CN2CCC([C@@H](C)CO)CC2)c(Cl)c1 ZINC000651957673 1129753243 /nfs/dbraw/zinc/75/32/43/1129753243.db2.gz HKIBBWVKFQJBOB-LBPRGKRZSA-N 0 1 299.817 3.628 20 0 CHADMN Fc1ccc(/C=C\C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000652063059 1129757023 /nfs/dbraw/zinc/75/70/23/1129757023.db2.gz CKWIMUGSUVYITN-BOPNBLERSA-N 0 1 267.294 3.570 20 0 CHADMN Fc1ccc(/C=C\C[N@H+]2CC[C@]3(CC3(F)F)C2)c(F)c1 ZINC000652063454 1129757458 /nfs/dbraw/zinc/75/74/58/1129757458.db2.gz MUNQZRPDSIMBEC-BOPNBLERSA-N 0 1 285.284 3.709 20 0 CHADMN Fc1ccc(/C=C\CN2CC[C@]3(CC3(F)F)C2)c(F)c1 ZINC000652063454 1129757462 /nfs/dbraw/zinc/75/74/62/1129757462.db2.gz MUNQZRPDSIMBEC-BOPNBLERSA-N 0 1 285.284 3.709 20 0 CHADMN Fc1ccc(/C=C\C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1F ZINC000652064537 1129757522 /nfs/dbraw/zinc/75/75/22/1129757522.db2.gz RJOCZBMWJKJAFR-DDGIKZQJSA-N 0 1 285.284 3.709 20 0 CHADMN FC1(F)C[C@]12CC[N@@H+](Cc1ccccc1OCC1CC1)C2 ZINC000652063269 1129757696 /nfs/dbraw/zinc/75/76/96/1129757696.db2.gz HRQJWCRMNLCUMC-INIZCTEOSA-N 0 1 293.357 3.707 20 0 CHADMN Cc1cccc2c1CC[C@@H]2N[C@@H](c1ccccc1F)[C@H](C)O ZINC000652230505 1129760879 /nfs/dbraw/zinc/76/08/79/1129760879.db2.gz NEXMHYQVFHDCRF-FASAQXTFSA-N 0 1 299.389 3.833 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccccc2C(=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000652396223 1129764189 /nfs/dbraw/zinc/76/41/89/1129764189.db2.gz FXYMLCRDPSJBQE-FRFSOERESA-N 0 1 287.403 3.785 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000652415546 1129764998 /nfs/dbraw/zinc/76/49/98/1129764998.db2.gz ZPVCSPJTARGTDE-CQSZACIVSA-N 0 1 291.391 3.695 20 0 CHADMN Cc1c(C)c(C)c(C[N@H+](CCC(=O)[O-])C(C)C)c(C)c1C ZINC000652478413 1129765909 /nfs/dbraw/zinc/76/59/09/1129765909.db2.gz BMSOKBSMJRXZAC-UHFFFAOYSA-N 0 1 291.435 3.914 20 0 CHADMN Cc1cc2ccccc2c(N2C[C@H](C)CC23CC3)n1 ZINC001156420856 1129771710 /nfs/dbraw/zinc/77/17/10/1129771710.db2.gz WLCCOUNMGGSORK-GFCCVEGCSA-N 0 1 252.361 3.922 20 0 CHADMN CC(C)c1cccnc1NCc1[nH]nc2ccccc21 ZINC000767292948 1129785117 /nfs/dbraw/zinc/78/51/17/1129785117.db2.gz ZBXAJMHKOKDJFP-UHFFFAOYSA-N 0 1 266.348 3.693 20 0 CHADMN CN(CCC(=O)C1CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000767354191 1129788366 /nfs/dbraw/zinc/78/83/66/1129788366.db2.gz FPBDORIDRYVJEA-UHFFFAOYSA-N 0 1 286.202 3.794 20 0 CHADMN CC(C)(C)c1nc2nc[nH]c2c(-c2ccc(F)c(F)c2)n1 ZINC001239582989 1131398104 /nfs/dbraw/zinc/39/81/04/1131398104.db2.gz YOZFJRMJDRYVOJ-UHFFFAOYSA-N 0 1 288.301 3.547 20 0 CHADMN CC1=C(C)CN(C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000796594591 1129801377 /nfs/dbraw/zinc/80/13/77/1129801377.db2.gz VEZBWIKQGBYSPT-OAHLLOKOSA-N 0 1 299.336 3.781 20 0 CHADMN CCc1cc(CN[C@@H](C)c2ccc(Cl)c(F)c2)[nH]n1 ZINC000768106079 1129832469 /nfs/dbraw/zinc/83/24/69/1129832469.db2.gz QPCJCYYGDCFNNF-VIFPVBQESA-N 0 1 281.762 3.615 20 0 CHADMN CCc1cc(CN[C@@H](C)c2ccc(Cl)c(F)c2)n[nH]1 ZINC000768106079 1129832476 /nfs/dbraw/zinc/83/24/76/1129832476.db2.gz QPCJCYYGDCFNNF-VIFPVBQESA-N 0 1 281.762 3.615 20 0 CHADMN CC1CCN(Cc2ccc(CSC(F)F)o2)CC1 ZINC000768142935 1129833141 /nfs/dbraw/zinc/83/31/41/1129833141.db2.gz IXPOFOKVLOXJQD-UHFFFAOYSA-N 0 1 275.364 3.967 20 0 CHADMN Cc1ccc(CN(C)Cc2cncc3ccccc32)o1 ZINC000768169174 1129838021 /nfs/dbraw/zinc/83/80/21/1129838021.db2.gz QZNFBAZEQBJGOH-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN CCCCCC[C@@H](C)NCc1n[nH]cc1Br ZINC000381397964 1129838060 /nfs/dbraw/zinc/83/80/60/1129838060.db2.gz QCTNYHWFLCGRKY-SNVBAGLBSA-N 0 1 288.233 3.621 20 0 CHADMN COc1ccc(CN2Cc3ccccc3[C@@H](C)C2)cc1O ZINC000768198022 1129839656 /nfs/dbraw/zinc/83/96/56/1129839656.db2.gz ZFKWJZUQNNSOFS-ZDUSSCGKSA-N 0 1 283.371 3.520 20 0 CHADMN C[C@H](NCc1cccc(Cl)n1)c1ccsc1 ZINC000381511901 1129840756 /nfs/dbraw/zinc/84/07/56/1129840756.db2.gz RHPOODBGKOIBNW-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN Cc1cncc([C@@H](C)NCc2c(C)cccc2F)c1 ZINC000768222364 1129844292 /nfs/dbraw/zinc/84/42/92/1129844292.db2.gz VCYOKMAPTNDDNR-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN CC(C)(O)[C@@H]1CCN(Cc2c(Cl)cccc2Cl)C1 ZINC000721869118 1129849631 /nfs/dbraw/zinc/84/96/31/1129849631.db2.gz JRIPFQKUROUFQD-SNVBAGLBSA-N 0 1 288.218 3.586 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1nc(C(C)(C)C)co1 ZINC000724364144 1129852190 /nfs/dbraw/zinc/85/21/90/1129852190.db2.gz MALDVVATRDQWJQ-NSHDSACASA-N 0 1 252.402 3.886 20 0 CHADMN CC(C)OC[C@@H](C)N[C@H](C)c1nc2ccccc2s1 ZINC000800237432 1129858128 /nfs/dbraw/zinc/85/81/28/1129858128.db2.gz FVUQDWZVDQCKDS-VXGBXAGGSA-N 0 1 278.421 3.760 20 0 CHADMN CCc1ccc(-c2nc[nH]c3nc(=S)sc2-3)cc1 ZINC001239589082 1131402347 /nfs/dbraw/zinc/40/23/47/1131402347.db2.gz XIMFJMNTRIPJTR-UHFFFAOYSA-N 0 1 273.386 3.930 20 0 CHADMN CCc1ccc(-c2cc3nc[nH]c3cc2OC)cc1 ZINC001239588704 1131402613 /nfs/dbraw/zinc/40/26/13/1131402613.db2.gz NUTXFBRVUCVCIS-UHFFFAOYSA-N 0 1 252.317 3.801 20 0 CHADMN C[C@H](N(C)Cc1occc1Br)C(C)(C)C ZINC000768542806 1129862182 /nfs/dbraw/zinc/86/21/82/1129862182.db2.gz HQBIAIORSVSPRZ-VIFPVBQESA-N 0 1 274.202 3.909 20 0 CHADMN COCCN(Cc1ccoc1)Cc1ccc(C)cc1C ZINC000768564919 1129863667 /nfs/dbraw/zinc/86/36/67/1129863667.db2.gz OPZODJARQYXYLM-UHFFFAOYSA-N 0 1 273.376 3.545 20 0 CHADMN Cc1cc(Cl)nc(CNCc2cccc(Cl)c2)c1 ZINC000800284285 1129863744 /nfs/dbraw/zinc/86/37/44/1129863744.db2.gz BVSQDFOQOAASQK-UHFFFAOYSA-N 0 1 281.186 3.987 20 0 CHADMN Cc1cnc([C@H](C)NC[C@@]2(C)CC2(Cl)Cl)s1 ZINC000828852833 1131402870 /nfs/dbraw/zinc/40/28/70/1131402870.db2.gz SSWJKKLKKCSCRX-WCBMZHEXSA-N 0 1 279.236 3.686 20 0 CHADMN c1ncc(CN2CCC(C3CCCCC3)CC2)s1 ZINC000768770323 1129871244 /nfs/dbraw/zinc/87/12/44/1129871244.db2.gz HYGWBBVNXXXPQU-UHFFFAOYSA-N 0 1 264.438 3.935 20 0 CHADMN CCc1cccc(C)c1NC(=O)[C@H]1C[C@H](C)Cc2cn[nH]c21 ZINC000900305579 1129876534 /nfs/dbraw/zinc/87/65/34/1129876534.db2.gz QBYJTPNUVQMTLD-ABAIWWIYSA-N 0 1 297.402 3.585 20 0 CHADMN C[C@@H]1CCCN(Cc2c(Cl)nc3ccccn32)CC1 ZINC000769147329 1129892605 /nfs/dbraw/zinc/89/26/05/1129892605.db2.gz FMGAIWCIUZFHLN-GFCCVEGCSA-N 0 1 277.799 3.610 20 0 CHADMN CC(=O)Nc1ccccc1CN1CCc2c(C)cccc2C1 ZINC000769336953 1129901942 /nfs/dbraw/zinc/90/19/42/1129901942.db2.gz AEJKQKAMNJIKHO-UHFFFAOYSA-N 0 1 294.398 3.512 20 0 CHADMN CCCn1nc(C)c(CN2CCc3c(C)cccc3C2)c1C ZINC000769338614 1129903559 /nfs/dbraw/zinc/90/35/59/1129903559.db2.gz MNEVRQZIZUTJQV-UHFFFAOYSA-N 0 1 297.446 3.777 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1coc(C2CC2)n1)C1CC1 ZINC000769338670 1129903911 /nfs/dbraw/zinc/90/39/11/1129903911.db2.gz NCQFVMVJEYJBAO-VXGBXAGGSA-N 0 1 262.397 3.951 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2occc2Br)C1 ZINC000769445188 1129905966 /nfs/dbraw/zinc/90/59/66/1129905966.db2.gz FVQOGFMVPHLWNL-ZJUUUORDSA-N 0 1 272.186 3.663 20 0 CHADMN CC(C)Sc1ccccc1NC(=O)CN(C)C1CCC1 ZINC000901060236 1129908431 /nfs/dbraw/zinc/90/84/31/1129908431.db2.gz GTKIJYAMMXBLHY-UHFFFAOYSA-N 0 1 292.448 3.610 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1Cc1occc1Br ZINC000769447771 1129910905 /nfs/dbraw/zinc/91/09/05/1129910905.db2.gz LAXYEHHMHROYPJ-ZJUUUORDSA-N 0 1 272.186 3.663 20 0 CHADMN CC1(C)CN(Cc2nccc3ccccc32)C(C)(C)CO1 ZINC000769447532 1129911277 /nfs/dbraw/zinc/91/12/77/1129911277.db2.gz XKIRRWPKBAYNQG-UHFFFAOYSA-N 0 1 284.403 3.624 20 0 CHADMN C[C@H]1CN(Cc2occc2Br)CC[C@@H]1C ZINC000769452412 1129911377 /nfs/dbraw/zinc/91/13/77/1129911377.db2.gz QIYXDNPYKVWYIT-UWVGGRQHSA-N 0 1 272.186 3.520 20 0 CHADMN c1ccc2c(c1)cncc2CN1CCOC2(CCCCC2)C1 ZINC000769492484 1129913517 /nfs/dbraw/zinc/91/35/17/1129913517.db2.gz KYZYOAZNHKPXFA-UHFFFAOYSA-N 0 1 296.414 3.770 20 0 CHADMN Clc1nn(CN2CCC[C@@H]2C2CC2)c2ccccc12 ZINC000769648739 1129920455 /nfs/dbraw/zinc/92/04/55/1129920455.db2.gz ILKVARWDLKNRMV-CYBMUJFWSA-N 0 1 275.783 3.522 20 0 CHADMN CCN(C(=O)c1c(O)cccc1Cl)c1ccccc1 ZINC000769676871 1129921123 /nfs/dbraw/zinc/92/11/23/1129921123.db2.gz BXIDTQHHIQHUBS-UHFFFAOYSA-N 0 1 275.735 3.712 20 0 CHADMN CN(Cc1cc(Cl)ccc1F)C[C@@H](O)c1ccccc1 ZINC000769856324 1129926911 /nfs/dbraw/zinc/92/69/11/1129926911.db2.gz VVUINFJUYHMLJT-MRXNPFEDSA-N 0 1 293.769 3.645 20 0 CHADMN C[C@@H](CNCc1ncc(Cl)s1)c1cccc(F)c1 ZINC000769910072 1129929236 /nfs/dbraw/zinc/92/92/36/1129929236.db2.gz RNOOOQNUAOLMAM-VIFPVBQESA-N 0 1 284.787 3.829 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCCO[C@H]1CCCC[C@H]1C ZINC000769876665 1129930136 /nfs/dbraw/zinc/93/01/36/1129930136.db2.gz UBWYIVYTPLOUIT-WWGRRREGSA-N 0 1 294.439 3.791 20 0 CHADMN CCSc1cccc(CNCc2cccc(F)n2)c1 ZINC000769921101 1129930235 /nfs/dbraw/zinc/93/02/35/1129930235.db2.gz VZUAVSJAVCDACX-UHFFFAOYSA-N 0 1 276.380 3.623 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2c(C)onc2CC)c1 ZINC000769875322 1129930389 /nfs/dbraw/zinc/93/03/89/1129930389.db2.gz OIITXZJEJWSFMB-GFCCVEGCSA-N 0 1 288.391 3.795 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCCOC1CCCCCC1 ZINC000769871024 1129930554 /nfs/dbraw/zinc/93/05/54/1129930554.db2.gz CDODBNFOIVZQAG-ZDUSSCGKSA-N 0 1 294.439 3.935 20 0 CHADMN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1CCC(=O)C1CC1 ZINC000769955396 1129932079 /nfs/dbraw/zinc/93/20/79/1129932079.db2.gz WZDWGPJSDXGEDI-VXGBXAGGSA-N 0 1 275.367 3.503 20 0 CHADMN CC[C@H](c1ccncc1)N(C)C[C@H]1CC1(Cl)Cl ZINC000769936407 1129933150 /nfs/dbraw/zinc/93/31/50/1129933150.db2.gz FKLKDBAULVDIDM-VXGBXAGGSA-N 0 1 273.207 3.658 20 0 CHADMN CCc1oc(C[N@@H+](C)C[C@@H](C)C(C)(C)C)cc1C(=O)[O-] ZINC000901553828 1129936100 /nfs/dbraw/zinc/93/61/00/1129936100.db2.gz PVADERJJAJLQTD-LLVKDONJSA-N 0 1 281.396 3.654 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1C[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000901569195 1129936919 /nfs/dbraw/zinc/93/69/19/1129936919.db2.gz JSUROWDCBDNAEX-DOTOQJQBSA-N 0 1 287.403 3.566 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)CC(C)(C)c1ccccc1 ZINC000901591455 1129937886 /nfs/dbraw/zinc/93/78/86/1129937886.db2.gz ZLDWGPITISJFDV-UHFFFAOYSA-N 0 1 297.398 3.794 20 0 CHADMN Cc1cc(C)c(C[N@H+](CCC(=O)[O-])CC(C)C)cc1C ZINC000901596061 1129938684 /nfs/dbraw/zinc/93/86/84/1129938684.db2.gz UDJPKQALOUYYEM-UHFFFAOYSA-N 0 1 277.408 3.545 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@@H](C)c1cccc(Cl)c1 ZINC000901596416 1129938853 /nfs/dbraw/zinc/93/88/53/1129938853.db2.gz VKINXINVMPZVNM-CYBMUJFWSA-N 0 1 297.826 3.876 20 0 CHADMN C[C@H]1CN(Cc2cccc(F)c2Br)C2(CC2)C1 ZINC001137722555 1131409059 /nfs/dbraw/zinc/40/90/59/1131409059.db2.gz WIENOLKJFZGXHK-SNVBAGLBSA-N 0 1 298.199 3.963 20 0 CHADMN C[C@H]1CCC[C@@H](C[N@@H+](CC(=O)[O-])Cc2ccc(F)cc2)C1 ZINC000901624425 1129939165 /nfs/dbraw/zinc/93/91/65/1129939165.db2.gz TZFKNLRNMVJLOV-DZGCQCFKSA-N 0 1 293.382 3.539 20 0 CHADMN CCC[C@H](C[N@@H+](CCC(=O)[O-])CC1CC1)c1ccccc1 ZINC000901612651 1129939484 /nfs/dbraw/zinc/93/94/84/1129939484.db2.gz INBKPAWXSZOWDT-QGZVFWFLSA-N 0 1 289.419 3.757 20 0 CHADMN CC[C@@H]1CCC[C@H](C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000901645842 1129940776 /nfs/dbraw/zinc/94/07/76/1129940776.db2.gz DSGPOBWRXUHWKH-KGLIPLIRSA-N 0 1 287.403 3.917 20 0 CHADMN CC1CCC(C[N@H+]2CCc3cc(C(=O)[O-])ccc3C2)CC1 ZINC000901674770 1129943776 /nfs/dbraw/zinc/94/37/76/1129943776.db2.gz KQFOPTVMCVFYSB-UHFFFAOYSA-N 0 1 287.403 3.569 20 0 CHADMN CCCCn1nc(C)c(CN2CC[C@@H](CC)C2)c1Cl ZINC000770302704 1129944129 /nfs/dbraw/zinc/94/41/29/1129944129.db2.gz BPRXDFOKWAOKAS-CYBMUJFWSA-N 0 1 283.847 3.877 20 0 CHADMN Fc1cccc2c1C[C@H]([N@H+]1CC[C@@H](C(F)(F)F)C1)CC2 ZINC001170999791 1131409559 /nfs/dbraw/zinc/40/95/59/1131409559.db2.gz DCSXEXRMBFIOOB-VXGBXAGGSA-N 0 1 287.300 3.567 20 0 CHADMN Cc1[nH]c2ccccc2c1C1CCN(CCF)CC1 ZINC000746503868 1129946884 /nfs/dbraw/zinc/94/68/84/1129946884.db2.gz OGRMCIJIUAPASL-UHFFFAOYSA-N 0 1 260.356 3.625 20 0 CHADMN CCCCC[C@@H]([NH2+]Cc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000901728437 1129947268 /nfs/dbraw/zinc/94/72/68/1129947268.db2.gz YEUZJCJDJDUFBM-GFCCVEGCSA-N 0 1 298.452 3.564 20 0 CHADMN Cc1ccc([C@@H](C)NC(=O)c2cccc3nc(C)[nH]c32)s1 ZINC000801836848 1129949236 /nfs/dbraw/zinc/94/92/36/1129949236.db2.gz SQUKCXSKPOSVPI-SNVBAGLBSA-N 0 1 299.399 3.732 20 0 CHADMN CC1=C[C@@H](C)C[C@@H](C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000901745237 1129949509 /nfs/dbraw/zinc/94/95/09/1129949509.db2.gz SOHNBXRZGAWXIL-UKRRQHHQSA-N 0 1 299.414 3.735 20 0 CHADMN C[C@@H]1CCN[C@H](c2nc(-c3cccc(Cl)c3F)no2)C1 ZINC000823000449 1131410026 /nfs/dbraw/zinc/41/00/26/1131410026.db2.gz ATWZOIROIOZIEI-KCJUWKMLSA-N 0 1 295.745 3.590 20 0 CHADMN CCC[C@H](C)C[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000901805014 1129955256 /nfs/dbraw/zinc/95/52/56/1129955256.db2.gz XGAGXOHWCGJYMU-HNNXBMFYSA-N 0 1 277.408 3.790 20 0 CHADMN COc1ccccc1CN(C)CCSC(C)(C)C ZINC000801910868 1129957312 /nfs/dbraw/zinc/95/73/12/1129957312.db2.gz CICLMPDYZWUXGF-UHFFFAOYSA-N 0 1 267.438 3.659 20 0 CHADMN CCc1ccc(C[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-])s1 ZINC000901837564 1129958739 /nfs/dbraw/zinc/95/87/39/1129958739.db2.gz DRBPWEWBCWWSKH-UHFFFAOYSA-N 0 1 297.464 3.879 20 0 CHADMN CC(C)C[N@@H+](C[C@H]1CCCC[C@H]1C)CC(C)(C)C(=O)[O-] ZINC000901840895 1129959219 /nfs/dbraw/zinc/95/92/19/1129959219.db2.gz QIPAINAYFNXHTM-HUUCEWRRSA-N 0 1 283.456 3.882 20 0 CHADMN CN(CCSC(C)(C)C)Cc1cc(Cl)cn1C ZINC000801927595 1129960183 /nfs/dbraw/zinc/96/01/83/1129960183.db2.gz WBIWAZOMMHXCHN-UHFFFAOYSA-N 0 1 274.861 3.642 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000901913276 1129965293 /nfs/dbraw/zinc/96/52/93/1129965293.db2.gz GSNNWBIEKBPLCY-CBZIJGRNSA-N 0 1 293.451 3.780 20 0 CHADMN O=C([O-])CC[N@@H+](Cc1ccc(C2CCCC2)cc1)C1CC1 ZINC000901970247 1129968653 /nfs/dbraw/zinc/96/86/53/1129968653.db2.gz KDPYBJBBKDKIFJ-UHFFFAOYSA-N 0 1 287.403 3.783 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000902016482 1129971858 /nfs/dbraw/zinc/97/18/58/1129971858.db2.gz LEMNLCBYSXPPKH-BMIGLBTASA-N 0 1 295.810 3.642 20 0 CHADMN C[C@H](C[N@H+]1CCCCC[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000902039502 1129973146 /nfs/dbraw/zinc/97/31/46/1129973146.db2.gz WTLQCIZBTYEGGL-IUODEOHRSA-N 0 1 295.810 3.773 20 0 CHADMN Clc1ccc2c(n1)[C@@H](NCc1ccccc1)CC2 ZINC000771177575 1129974169 /nfs/dbraw/zinc/97/41/69/1129974169.db2.gz OKRZNKIVOAABRJ-ZDUSSCGKSA-N 0 1 258.752 3.512 20 0 CHADMN CCn1cnc(CN[C@H](c2ccccc2)C(C)(C)C)c1 ZINC000902056128 1129975523 /nfs/dbraw/zinc/97/55/23/1129975523.db2.gz WJCVNSCRIFRMAK-MRXNPFEDSA-N 0 1 271.408 3.780 20 0 CHADMN CCN(c1ccc(NCc2cn(CC)cn2)cc1)C(C)C ZINC000902082031 1129978457 /nfs/dbraw/zinc/97/84/57/1129978457.db2.gz FTAMXCOMXLLTLG-UHFFFAOYSA-N 0 1 286.423 3.750 20 0 CHADMN CCCCCCN(C)Cc1nc(-c2ccc(Cl)o2)no1 ZINC000771422903 1129978594 /nfs/dbraw/zinc/97/85/94/1129978594.db2.gz ZASSZTOQOYQAAX-UHFFFAOYSA-N 0 1 297.786 3.995 20 0 CHADMN CCOc1ccccc1CNCc1cc(C)ccc1NC ZINC000902090611 1129978949 /nfs/dbraw/zinc/97/89/49/1129978949.db2.gz WHRXZCIPLBCYER-UHFFFAOYSA-N 0 1 284.403 3.725 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H](C)c1ccnc(Cl)c1 ZINC000771388673 1129979185 /nfs/dbraw/zinc/97/91/85/1129979185.db2.gz OYCZXYKSADVPKV-NWDGAFQWSA-N 0 1 275.783 3.850 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H](C)c1ccc(Cl)nc1 ZINC000771390182 1129979522 /nfs/dbraw/zinc/97/95/22/1129979522.db2.gz WPRADSNQAACKCM-NEPJUHHUSA-N 0 1 275.783 3.850 20 0 CHADMN C[C@H]1CCN(Cc2cccnc2Cl)CC12CCC2 ZINC000771462606 1129980863 /nfs/dbraw/zinc/98/08/63/1129980863.db2.gz JLZXTWRQIDEFPH-LBPRGKRZSA-N 0 1 264.800 3.747 20 0 CHADMN C[C@H]1CCC[C@H](CN(C)Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000771443097 1129981203 /nfs/dbraw/zinc/98/12/03/1129981203.db2.gz HXRDIVXDFTWPLE-KBPBESRZSA-N 0 1 299.418 3.594 20 0 CHADMN CCC/C(C)=C/C(=O)Nc1cc(F)cc(Cl)c1O ZINC000771514373 1129983034 /nfs/dbraw/zinc/98/30/34/1129983034.db2.gz SZSHXVCCXUHEGD-VMPITWQZSA-N 0 1 271.719 3.870 20 0 CHADMN CC(C)(C)/C=C\C(=O)Nc1cc(F)cc(Cl)c1O ZINC000771504094 1129983170 /nfs/dbraw/zinc/98/31/70/1129983170.db2.gz JJXUTEURLOJGII-PLNGDYQASA-N 0 1 271.719 3.726 20 0 CHADMN CCCCCC[N@@H+](C)Cc1nc(-c2cc(C)oc2C)no1 ZINC000771617007 1129985439 /nfs/dbraw/zinc/98/54/39/1129985439.db2.gz YGRMUYRIBWNZRX-UHFFFAOYSA-N 0 1 291.395 3.959 20 0 CHADMN CCCCCCN(C)Cc1nc(-c2cc(C)oc2C)no1 ZINC000771617007 1129985442 /nfs/dbraw/zinc/98/54/42/1129985442.db2.gz YGRMUYRIBWNZRX-UHFFFAOYSA-N 0 1 291.395 3.959 20 0 CHADMN CCn1cnc(CN[C@H]2CCC(C)(C)c3ccccc32)c1 ZINC000902199629 1129987777 /nfs/dbraw/zinc/98/77/77/1129987777.db2.gz VLLOWWBDXAMFPS-KRWDZBQOSA-N 0 1 283.419 3.805 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@@H](c2ccccc2)CC1)C(=O)[O-] ZINC000902217154 1129990384 /nfs/dbraw/zinc/99/03/84/1129990384.db2.gz CCMQJWIFYSNLEX-MRXNPFEDSA-N 0 1 289.419 3.757 20 0 CHADMN Cc1cn[nH]c1CSCc1ccccc1OC(F)F ZINC000902287008 1129996682 /nfs/dbraw/zinc/99/66/82/1129996682.db2.gz QPFNIIRFAGKIHD-UHFFFAOYSA-N 0 1 284.331 3.753 20 0 CHADMN Cc1cn[nH]c1CS[C@@H](C)c1ccccc1F ZINC000902305396 1129998628 /nfs/dbraw/zinc/99/86/28/1129998628.db2.gz ORQZQEBDNODNJE-JTQLQIEISA-N 0 1 250.342 3.852 20 0 CHADMN C[C@H](NCc1cscc1Cl)[C@H](O)c1cccc(F)c1 ZINC000771967921 1129999132 /nfs/dbraw/zinc/99/91/32/1129999132.db2.gz GJRILHRVSHHEEL-XPTSAGLGSA-N 0 1 299.798 3.752 20 0 CHADMN C[C@H](NCc1cscc1Cl)[C@@H](O)c1cccc(F)c1 ZINC000771967918 1129999274 /nfs/dbraw/zinc/99/92/74/1129999274.db2.gz GJRILHRVSHHEEL-LKFCYVNXSA-N 0 1 299.798 3.752 20 0 CHADMN CC[C@H](C)[C@H](C)[N@@H+](Cc1ccc(/C=C/C(=O)[O-])o1)C1CC1 ZINC000902516885 1130018372 /nfs/dbraw/zinc/01/83/72/1130018372.db2.gz MWMMRTGVYWBXTB-MZWKFTRPSA-N 0 1 291.391 3.776 20 0 CHADMN CCc1oc(C[N@@H+](C)[C@@H](C)c2cccs2)cc1C(=O)[O-] ZINC000902512508 1130018601 /nfs/dbraw/zinc/01/86/01/1130018601.db2.gz UTKLHIVEMJQVBC-JTQLQIEISA-N 0 1 293.388 3.795 20 0 CHADMN Cc1ccc([C@H](NCc2csc(N)n2)C2CCC2)cc1 ZINC000902497839 1130018815 /nfs/dbraw/zinc/01/88/15/1130018815.db2.gz ABWSAVOIOSLQIL-OAHLLOKOSA-N 0 1 287.432 3.665 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902523440 1130019405 /nfs/dbraw/zinc/01/94/05/1130019405.db2.gz KIDHZTPLXRNSPT-VFNNOXKTSA-N 0 1 291.391 3.778 20 0 CHADMN CCCNc1ccc(CNCc2c(C)noc2CC)cc1 ZINC000902526864 1130019562 /nfs/dbraw/zinc/01/95/62/1130019562.db2.gz BECZUADRAICKSM-UHFFFAOYSA-N 0 1 287.407 3.657 20 0 CHADMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902518574 1130019954 /nfs/dbraw/zinc/01/99/54/1130019954.db2.gz NTPPZAXEWDNTLG-OCCSQVGLSA-N 0 1 298.386 3.553 20 0 CHADMN CCCC1CCC([N@@H+](C)CCC(C)(C)C(=O)[O-])CC1 ZINC000902534917 1130021206 /nfs/dbraw/zinc/02/12/06/1130021206.db2.gz GRUUFECVERUUBQ-UHFFFAOYSA-N 0 1 269.429 3.778 20 0 CHADMN CC(=O)c1ccc(-c2nc[nH]c3nc(=S)sc2-3)cc1 ZINC001239627528 1130021810 /nfs/dbraw/zinc/02/18/10/1130021810.db2.gz DNDSSZWWLFGUBN-UHFFFAOYSA-N 0 1 287.369 3.570 20 0 CHADMN CC(=O)c1ccc(-c2cc(CN3CCCCC3)ccn2)cc1 ZINC001239627404 1130021864 /nfs/dbraw/zinc/02/18/64/1130021864.db2.gz ARFBLOZUZZRWGW-UHFFFAOYSA-N 0 1 294.398 3.937 20 0 CHADMN CC(=O)c1ccc(-c2cc3nc[nH]c3c(C)c2)cc1 ZINC001239629431 1130023101 /nfs/dbraw/zinc/02/31/01/1130023101.db2.gz GIJLFPVMKQXAOB-UHFFFAOYSA-N 0 1 250.301 3.741 20 0 CHADMN CSc1cc(CN[C@H](C)c2ccnc(Cl)c2)ccn1 ZINC000772467588 1130023681 /nfs/dbraw/zinc/02/36/81/1130023681.db2.gz AHJNAISOSRQTPS-SNVBAGLBSA-N 0 1 293.823 3.703 20 0 CHADMN CNc1ccc(C)cc1CN[C@H]1c2ccccc2O[C@H]1C ZINC000902562398 1130024774 /nfs/dbraw/zinc/02/47/74/1130024774.db2.gz MMXKNHXRFYUZIP-SCLBCKFNSA-N 0 1 282.387 3.649 20 0 CHADMN CCC[C@H](CN1CCO[C@H](C(F)F)C1)c1ccccc1 ZINC000802654092 1130026548 /nfs/dbraw/zinc/02/65/48/1130026548.db2.gz VMYFBDDOJLFGAA-CABCVRRESA-N 0 1 283.362 3.536 20 0 CHADMN CC(=O)c1cccc(-c2cncc(CN3CCCC3)c2)c1 ZINC001239639150 1130029611 /nfs/dbraw/zinc/02/96/11/1130029611.db2.gz SNRAEOKDBLCGTG-UHFFFAOYSA-N 0 1 280.371 3.547 20 0 CHADMN CCCN(CCC)c1ccc(NC[C@H](O)C(C)C)cc1 ZINC001253772075 1130033401 /nfs/dbraw/zinc/03/34/01/1130033401.db2.gz ZPNWLMXSSGTLHR-KRWDZBQOSA-N 0 1 278.440 3.742 20 0 CHADMN CCNc1ccccc1CN[C@@H]1CCCc2cccnc21 ZINC000902657366 1130035405 /nfs/dbraw/zinc/03/54/05/1130035405.db2.gz XQKCFJNMQHUXJB-QGZVFWFLSA-N 0 1 281.403 3.681 20 0 CHADMN COc1ccc(C(C)C)cc1-c1cncc2nc[nH]c21 ZINC001239660029 1130038219 /nfs/dbraw/zinc/03/82/19/1130038219.db2.gz PYUCRKIBGVZWMT-UHFFFAOYSA-N 0 1 267.332 3.757 20 0 CHADMN CC[C@](C)(NCc1cccnc1OC)c1ccccc1 ZINC000785785665 1130055928 /nfs/dbraw/zinc/05/59/28/1130055928.db2.gz IJPSSWLNQRNFOR-KRWDZBQOSA-N 0 1 270.376 3.505 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@@H]1C[C@H]1c1ccccc1 ZINC000802891560 1130058958 /nfs/dbraw/zinc/05/89/58/1130058958.db2.gz SXRIYCGDNXAQGD-NWDGAFQWSA-N 0 1 287.746 3.788 20 0 CHADMN CN1CCc2c(F)cc(-c3cc(F)ccc3F)cc2C1 ZINC001239711550 1130065838 /nfs/dbraw/zinc/06/58/38/1130065838.db2.gz GHDKCAJRTPGDDN-UHFFFAOYSA-N 0 1 277.289 3.759 20 0 CHADMN Cc1cccc(-c2ccc(CCN3CCOCC3)cc2)c1C ZINC001239716088 1130070814 /nfs/dbraw/zinc/07/08/14/1130070814.db2.gz FSZDZJIZFHEJNL-UHFFFAOYSA-N 0 1 295.426 3.845 20 0 CHADMN F[C@@H]1CCCN(C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000902991327 1130097433 /nfs/dbraw/zinc/09/74/33/1130097433.db2.gz OKXUOZULZUUWQV-ZACQAIPSSA-N 0 1 277.383 3.731 20 0 CHADMN COC(=O)c1ccc([C@@H](C)NCc2occc2C)c(C)c1 ZINC000902999372 1130098136 /nfs/dbraw/zinc/09/81/36/1130098136.db2.gz NWKKBEZNGFVERN-CYBMUJFWSA-N 0 1 287.359 3.534 20 0 CHADMN CC/C=C\CN[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903007064 1130099222 /nfs/dbraw/zinc/09/92/22/1130099222.db2.gz UYVNDNUQFCPXFX-LWTINBJPSA-N 0 1 258.287 3.717 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1cnc2ccccc2c1 ZINC001239796363 1130111824 /nfs/dbraw/zinc/11/18/24/1130111824.db2.gz LGWJGVMLIQXGKP-UHFFFAOYSA-N 0 1 263.275 3.917 20 0 CHADMN CC(C)[C@H](Nc1cc(N)c(F)cn1)c1ccc(F)cc1 ZINC001170063633 1130113212 /nfs/dbraw/zinc/11/32/12/1130113212.db2.gz UBCUHSRMTUNCRA-HNNXBMFYSA-N 0 1 277.318 3.751 20 0 CHADMN CC(C)[C@@H](Nc1cc(N)c(F)cn1)c1ccc(F)cc1 ZINC001170063634 1130113693 /nfs/dbraw/zinc/11/36/93/1130113693.db2.gz UBCUHSRMTUNCRA-OAHLLOKOSA-N 0 1 277.318 3.751 20 0 CHADMN CCC(N)=NOCc1ccc(Br)c(Cl)c1 ZINC000786743085 1130114340 /nfs/dbraw/zinc/11/43/40/1130114340.db2.gz WOAPCFJCQHMTOT-UHFFFAOYSA-N 0 1 291.576 3.511 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnn(CC2CCC2)c1)c1ccoc1 ZINC000903124303 1130116722 /nfs/dbraw/zinc/11/67/22/1130116722.db2.gz FFTXOSDPWLJVEG-OLZOCXBDSA-N 0 1 273.380 3.688 20 0 CHADMN Cc1cscc1CN[C@@H](C)c1ccc(Cl)nc1 ZINC000786924266 1130123008 /nfs/dbraw/zinc/12/30/08/1130123008.db2.gz ADRRYOYAOPGWFG-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN Fc1ccc([C@H](NCC[C@@H]2CC[C@H]3C[C@H]32)c2ncc[nH]2)cc1 ZINC000903166168 1130123025 /nfs/dbraw/zinc/12/30/25/1130123025.db2.gz OJYPGEMRIJEMQA-CSFVBSKPSA-N 0 1 299.393 3.664 20 0 CHADMN C[C@@H](NCc1nccc2c1CCCC2)c1cccc(F)c1 ZINC000903185708 1130125858 /nfs/dbraw/zinc/12/58/58/1130125858.db2.gz VWBRZQZJAWLQOA-CYBMUJFWSA-N 0 1 284.378 3.950 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1nccc2c1CCCC2 ZINC000903185239 1130126144 /nfs/dbraw/zinc/12/61/44/1130126144.db2.gz RWNLGISPAUPRAR-CQSZACIVSA-N 0 1 281.403 3.515 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000903201536 1130129062 /nfs/dbraw/zinc/12/90/62/1130129062.db2.gz IPKFYSSLSZCFAR-KUHUBIRLSA-N 0 1 295.430 3.561 20 0 CHADMN Cc1nc(F)ccc1CN1CCC(OCCC(C)C)CC1 ZINC000787118323 1130130584 /nfs/dbraw/zinc/13/05/84/1130130584.db2.gz SWAGMTHXNTVJEY-UHFFFAOYSA-N 0 1 294.414 3.556 20 0 CHADMN COc1ccc2cc(-c3cc4[nH]cnc4cn3)ccc2c1 ZINC001239839643 1130131344 /nfs/dbraw/zinc/13/13/44/1130131344.db2.gz JJDSFTWVVBCJIW-UHFFFAOYSA-N 0 1 275.311 3.787 20 0 CHADMN COc1c(Cl)cccc1CN[C@H](C)c1cncc(C)c1 ZINC000903247922 1130136737 /nfs/dbraw/zinc/13/67/37/1130136737.db2.gz ZDCSQVPDZNEGRE-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN c1nc2c(s1)CCC[C@@H]2N[C@@H]1CCOC12CCCCC2 ZINC000903267973 1130140341 /nfs/dbraw/zinc/14/03/41/1130140341.db2.gz JCEYQIIGZCYVIB-GXTWGEPZSA-N 0 1 292.448 3.602 20 0 CHADMN Cc1nc([C@H](C)N[C@H]2CCOC23CCCCC3)cs1 ZINC000903267471 1130140521 /nfs/dbraw/zinc/14/05/21/1130140521.db2.gz DESMJTOTHSJQOB-FZMZJTMJSA-N 0 1 280.437 3.594 20 0 CHADMN c1nc2cnc(-c3cccnc3-c3ccccc3)cc2[nH]1 ZINC001239868918 1130142569 /nfs/dbraw/zinc/14/25/69/1130142569.db2.gz QXVQYJJJNOWZJE-UHFFFAOYSA-N 0 1 272.311 3.687 20 0 CHADMN CC[C@](C)(NCc1ccc(F)cn1)c1ccccc1 ZINC000787279948 1130142899 /nfs/dbraw/zinc/14/28/99/1130142899.db2.gz OPECZULLFQXMSJ-INIZCTEOSA-N 0 1 258.340 3.636 20 0 CHADMN c1ccc(-c2ncccc2-c2cccc3[nH]nnc32)cc1 ZINC001239875942 1130143840 /nfs/dbraw/zinc/14/38/40/1130143840.db2.gz HCFIARQUTIUVJG-UHFFFAOYSA-N 0 1 272.311 3.687 20 0 CHADMN c1nc2cncc(-c3cccnc3-c3ccccc3)c2[nH]1 ZINC001239875623 1130143897 /nfs/dbraw/zinc/14/38/97/1130143897.db2.gz ARCCBFWYXYPIGL-UHFFFAOYSA-N 0 1 272.311 3.687 20 0 CHADMN COc1cccc(C2(N[C@@H](C)CCCC(C)C)COC2)c1 ZINC001170072051 1130145583 /nfs/dbraw/zinc/14/55/83/1130145583.db2.gz XGSAJYVNDCEBKK-HNNXBMFYSA-N 0 1 291.435 3.725 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1NCc1ncc(C(C)C)o1 ZINC000787306203 1130145919 /nfs/dbraw/zinc/14/59/19/1130145919.db2.gz KUBBUVLBACEONW-TZMCWYRMSA-N 0 1 282.453 3.952 20 0 CHADMN CCN(CC)C(=O)c1ccc(-c2ccc3nc[nH]c3c2)cc1 ZINC001239889966 1130147720 /nfs/dbraw/zinc/14/77/20/1130147720.db2.gz WWRYMCYSEKFLGH-UHFFFAOYSA-N 0 1 293.370 3.712 20 0 CHADMN Cc1cc([C@@H](C)NCc2c(C)cc(CO)cc2C)oc1C ZINC000903303972 1130149915 /nfs/dbraw/zinc/14/99/15/1130149915.db2.gz XGNRYHBAKDLOCT-CQSZACIVSA-N 0 1 287.403 3.856 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1c(C)cc(CO)cc1C ZINC000903308978 1130150902 /nfs/dbraw/zinc/15/09/02/1130150902.db2.gz SCNDEFKDAKANDE-OAHLLOKOSA-N 0 1 298.430 3.604 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2cncs2)c(C)n1 ZINC000903310512 1130151123 /nfs/dbraw/zinc/15/11/23/1130151123.db2.gz KCOJHQGXDKBFAZ-RYUDHWBXSA-N 0 1 261.394 3.567 20 0 CHADMN Cc1cccnc1[C@H](N[C@@H]1CCCc2n[nH]cc21)C(C)(C)C ZINC000903327851 1130156217 /nfs/dbraw/zinc/15/62/17/1130156217.db2.gz ADKSYIOIGZUARY-PBHICJAKSA-N 0 1 298.434 3.868 20 0 CHADMN COc1cncc(-c2cccc3nc(C(F)(F)F)[nH]c32)c1 ZINC001239932748 1130157232 /nfs/dbraw/zinc/15/72/32/1130157232.db2.gz RGGOYUAHLQREFG-UHFFFAOYSA-N 0 1 293.248 3.652 20 0 CHADMN Cc1cccnc1[C@@H](N[C@H](C)c1ccnn1C)C(C)(C)C ZINC000903331612 1130158939 /nfs/dbraw/zinc/15/89/39/1130158939.db2.gz ZKUTUJNFTXYLBS-CZUORRHYSA-N 0 1 286.423 3.562 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](c2ccccn2)C2CC2)cc1O ZINC000903334810 1130160362 /nfs/dbraw/zinc/16/03/62/1130160362.db2.gz GRUXZDZBYHIJFS-KPZWWZAWSA-N 0 1 298.386 3.598 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H](c1ccccn1)C1CC1 ZINC000903337804 1130161229 /nfs/dbraw/zinc/16/12/29/1130161229.db2.gz FQBFTRKULMGAMO-UGSOOPFHSA-N 0 1 282.387 3.892 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@H](c2ccccn2)C2CC2)cn1 ZINC000903340712 1130162598 /nfs/dbraw/zinc/16/25/98/1130162598.db2.gz SLHUYZXEZCIHNN-GUYCJALGSA-N 0 1 284.407 3.661 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2N[C@H](c1ccccn1)C1CC1 ZINC000903341076 1130162825 /nfs/dbraw/zinc/16/28/25/1130162825.db2.gz VUFIOHHXUBOVRP-WMZOPIPTSA-N 0 1 282.362 3.949 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2N[C@@H](c1ccccn1)C1CC1 ZINC000903341074 1130163251 /nfs/dbraw/zinc/16/32/51/1130163251.db2.gz VUFIOHHXUBOVRP-FUHWJXTLSA-N 0 1 282.362 3.949 20 0 CHADMN COCc1ccccc1-c1cc(N2CCCCC2)ccn1 ZINC001239949285 1130167297 /nfs/dbraw/zinc/16/72/97/1130167297.db2.gz CIRZGYFIVDQFNQ-UHFFFAOYSA-N 0 1 282.387 3.885 20 0 CHADMN CC(C)(C)c1cc(CN2CCCCCCC2)no1 ZINC000788009946 1130168873 /nfs/dbraw/zinc/16/88/73/1130168873.db2.gz PTRSISJYJKCMMI-UHFFFAOYSA-N 0 1 250.386 3.738 20 0 CHADMN COC1(CN[C@H](C)c2csc(C)n2)CCCCCC1 ZINC000903417582 1130173096 /nfs/dbraw/zinc/17/30/96/1130173096.db2.gz CRIYNSVZQZYTPT-GFCCVEGCSA-N 0 1 282.453 3.842 20 0 CHADMN C[C@H](N[C@@H](c1ccncc1)C1CC1)c1ccc(Cl)cn1 ZINC000903426136 1130174922 /nfs/dbraw/zinc/17/49/22/1130174922.db2.gz AIKNDMRQTUUHML-MEDUHNTESA-N 0 1 287.794 3.932 20 0 CHADMN C[C@@H](N[C@H](c1ccncc1)C1CC1)c1cn2ccccc2n1 ZINC000903428582 1130176144 /nfs/dbraw/zinc/17/61/44/1130176144.db2.gz PEDMJTYYUAVFNF-ACJLOTCBSA-N 0 1 292.386 3.531 20 0 CHADMN C[C@@H](NC/C=C/Cl)c1cnc2ccsc2c1 ZINC000903443258 1130177545 /nfs/dbraw/zinc/17/75/45/1130177545.db2.gz DZHNEDLUIMNBSN-HDMKULJXSA-N 0 1 252.770 3.699 20 0 CHADMN FC(F)(F)c1cnc2c(c1)[C@@H](NC/C=C\Cl)CCC2 ZINC000903445109 1130177960 /nfs/dbraw/zinc/17/79/60/1130177960.db2.gz RRJKSDUASQJQED-SROOVFNMSA-N 0 1 290.716 3.820 20 0 CHADMN c1cc(N2CCCCC2)cc(-c2ccc3cncnc3c2)n1 ZINC001239978889 1130181055 /nfs/dbraw/zinc/18/10/55/1130181055.db2.gz ADMHIBTULLTUPI-UHFFFAOYSA-N 0 1 290.370 3.682 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000903590834 1130182429 /nfs/dbraw/zinc/18/24/29/1130182429.db2.gz AQGWBAZLKWEHAF-CQJJVWNLSA-N 0 1 293.382 3.503 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC000903608337 1130184452 /nfs/dbraw/zinc/18/44/52/1130184452.db2.gz VHUWINQIBMQOMH-MEBBXXQBSA-N 0 1 295.810 3.506 20 0 CHADMN CC(C)C[N@@H+](CCCc1ccsc1)CC(C)(C)C(=O)[O-] ZINC000903623160 1130184654 /nfs/dbraw/zinc/18/46/54/1130184654.db2.gz UGJGHKYZGTWTGZ-UHFFFAOYSA-N 0 1 297.464 3.750 20 0 CHADMN Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)oc1C(=O)[O-] ZINC000903620545 1130185116 /nfs/dbraw/zinc/18/51/16/1130185116.db2.gz AOJAZUKYXFPXDP-LRDDRELGSA-N 0 1 297.354 3.721 20 0 CHADMN Cc1oc(C[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)cc1C(=O)[O-] ZINC000903620802 1130185162 /nfs/dbraw/zinc/18/51/62/1130185162.db2.gz FARUWFLLXIHCII-SJCJKPOMSA-N 0 1 297.354 3.721 20 0 CHADMN C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000903631141 1130185922 /nfs/dbraw/zinc/18/59/22/1130185922.db2.gz KMCHTAYVFMPYFF-BBRMVZONSA-N 0 1 299.370 3.746 20 0 CHADMN CC(C)C[N@@H+](CCC1(C(=O)[O-])CCC1)C1CCCC1 ZINC000903697087 1130190300 /nfs/dbraw/zinc/19/03/00/1130190300.db2.gz QPBZTARZDVYUTC-UHFFFAOYSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1ccccc1F ZINC000903696368 1130190476 /nfs/dbraw/zinc/19/04/76/1130190476.db2.gz GVBQOHNTTKMESU-UHFFFAOYSA-N 0 1 293.382 3.681 20 0 CHADMN CC[N@@H+](CCC1(C(=O)[O-])CCC1)[C@H](C)c1ccc(F)cc1 ZINC000903696513 1130190645 /nfs/dbraw/zinc/19/06/45/1130190645.db2.gz IESKFOUXTCYDHB-CYBMUJFWSA-N 0 1 293.382 3.854 20 0 CHADMN CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC000903695652 1130190689 /nfs/dbraw/zinc/19/06/89/1130190689.db2.gz FNTMEFVQRIIKBK-INIZCTEOSA-N 0 1 289.419 3.961 20 0 CHADMN C[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1ccc(Cl)c(F)c1 ZINC000903700866 1130191429 /nfs/dbraw/zinc/19/14/29/1130191429.db2.gz INLZZSZTDWHVMH-UHFFFAOYSA-N 0 1 299.773 3.556 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3ccc(Cl)nc32)cc1F ZINC000788508900 1130191595 /nfs/dbraw/zinc/19/15/95/1130191595.db2.gz WBCYQJDWPUXWCL-AWEZNQCLSA-N 0 1 290.769 3.960 20 0 CHADMN CC(C)c1ccccc1C[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C ZINC000903706341 1130192502 /nfs/dbraw/zinc/19/25/02/1130192502.db2.gz HOBGIXFZKCHNGE-JJRVBVJISA-N 0 1 289.419 3.884 20 0 CHADMN C[C@@H](N[C@@H](C)c1c(F)cccc1Cl)c1cc[nH]c(=O)c1 ZINC000788669416 1130202156 /nfs/dbraw/zinc/20/21/56/1130202156.db2.gz ZSZDETDPDFOGJX-ZJUUUORDSA-N 0 1 294.757 3.992 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@@H+](C[C@@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC000903886148 1130208175 /nfs/dbraw/zinc/20/81/75/1130208175.db2.gz AOQSNRLAZJKGFL-UHIISALHSA-N 0 1 293.794 3.586 20 0 CHADMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903894295 1130208846 /nfs/dbraw/zinc/20/88/46/1130208846.db2.gz SKNCUHFAHLETNU-OCCSQVGLSA-N 0 1 298.386 3.553 20 0 CHADMN C[C@]1(Cc2cccs2)CCC[N@H+]1CCCCCC(=O)[O-] ZINC000903934161 1130210443 /nfs/dbraw/zinc/21/04/43/1130210443.db2.gz KTVXLELSJVOWFQ-MRXNPFEDSA-N 0 1 295.448 3.790 20 0 CHADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000903901354 1130210515 /nfs/dbraw/zinc/21/05/15/1130210515.db2.gz GZSAGRMPHUMGSU-QDIHITRGSA-N 0 1 293.451 3.636 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(Cl)c2)[C@H](C)[C@H]1C(=O)[O-] ZINC000903947889 1130211174 /nfs/dbraw/zinc/21/11/74/1130211174.db2.gz ANHTVXLGQJPWET-ZAZJYDDPSA-N 0 1 295.810 3.660 20 0 CHADMN CCCCNC(=O)c1cccc(-c2cccc3cncn32)c1 ZINC001240088095 1130211529 /nfs/dbraw/zinc/21/15/29/1130211529.db2.gz WGLMZFDQZDJQOZ-UHFFFAOYSA-N 0 1 293.370 3.531 20 0 CHADMN C[C@H](C[N@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]1C)CC(C)(C)C ZINC000903952810 1130212662 /nfs/dbraw/zinc/21/26/62/1130212662.db2.gz WNLHJCCFVSOAMT-RMEBNNNOSA-N 0 1 283.456 3.878 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC3CCC2CC3)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903951892 1130213117 /nfs/dbraw/zinc/21/31/17/1130213117.db2.gz IOPPDNNHDBGIIL-DDXAEROLSA-N 0 1 293.451 3.632 20 0 CHADMN CCc1cccc(Cl)c1CNC[C@H](OC)C(F)(F)F ZINC000788965006 1130220316 /nfs/dbraw/zinc/22/03/16/1130220316.db2.gz SGGKUWDECLXVLX-LBPRGKRZSA-N 0 1 295.732 3.569 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(Cl)nc1)c1cncs1 ZINC000788983916 1130222548 /nfs/dbraw/zinc/22/25/48/1130222548.db2.gz ONZHXQGHPZKWJJ-IUCAKERBSA-N 0 1 267.785 3.603 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3ccc(F)cc32)c(C)o1 ZINC000748269392 1130225953 /nfs/dbraw/zinc/22/59/53/1130225953.db2.gz MOJYQFJKRAFJJJ-MRXNPFEDSA-N 0 1 259.324 3.813 20 0 CHADMN Fc1cncc(-c2cccc3nc(C(F)(F)F)[nH]c32)c1 ZINC001240237370 1130243253 /nfs/dbraw/zinc/24/32/53/1130243253.db2.gz IIQYMKWQRUOLMI-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN CN(C)Cc1ccc(-c2cccc(-n3cccn3)c2)cc1F ZINC001240249186 1130246772 /nfs/dbraw/zinc/24/67/72/1130246772.db2.gz AAAHNGKHWUZROF-UHFFFAOYSA-N 0 1 295.361 3.740 20 0 CHADMN CCc1ccc(CN(C)Cc2ccnc(Cl)c2)cc1 ZINC000748798456 1130247268 /nfs/dbraw/zinc/24/72/68/1130247268.db2.gz MUMHKFVBGHCNJL-UHFFFAOYSA-N 0 1 274.795 3.929 20 0 CHADMN CCCCO[C@@H]1C[C@@H](NCc2coc(C3CC3)n2)C1(C)C ZINC000749110259 1130264304 /nfs/dbraw/zinc/26/43/04/1130264304.db2.gz CGFXIMKVGJLQHN-HUUCEWRRSA-N 0 1 292.423 3.625 20 0 CHADMN CN(C)Cc1cc(-c2ccnc(C(F)(F)F)c2)ccc1F ZINC001240340837 1130270367 /nfs/dbraw/zinc/27/03/67/1130270367.db2.gz HECPUFNGVFYSNE-UHFFFAOYSA-N 0 1 298.283 3.968 20 0 CHADMN c1nc2ccc(-c3ccc4cncn4c3)cc2s1 ZINC001240345075 1130273067 /nfs/dbraw/zinc/27/30/67/1130273067.db2.gz YIBGTJVUMCHUMX-UHFFFAOYSA-N 0 1 251.314 3.611 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(F)c3ccccc32)nn1C ZINC000676842374 1130273029 /nfs/dbraw/zinc/27/30/29/1130273029.db2.gz YEOUDUVQBGYPHI-ZDUSSCGKSA-N 0 1 297.377 3.872 20 0 CHADMN Cc1nccc(NCc2ccccc2-c2cccnc2)c1F ZINC001170116379 1130273331 /nfs/dbraw/zinc/27/33/31/1130273331.db2.gz PHHKCTGJGQRNGG-UHFFFAOYSA-N 0 1 293.345 3.625 20 0 CHADMN Cc1nc([C@H](C)NCCOc2cccc(F)c2)c(C)s1 ZINC000676840246 1130273583 /nfs/dbraw/zinc/27/35/83/1130273583.db2.gz XLFNAERSIRUQJJ-JTQLQIEISA-N 0 1 294.395 3.629 20 0 CHADMN CCN(Cc1nc2ccccn2c1C)Cc1ccccc1 ZINC001137267051 1130275061 /nfs/dbraw/zinc/27/50/61/1130275061.db2.gz KKGZDSSBPFJHIO-UHFFFAOYSA-N 0 1 279.387 3.665 20 0 CHADMN FC1(c2ccccc2)CCN(Cc2ccoc2)CC1 ZINC000789758997 1130275289 /nfs/dbraw/zinc/27/52/89/1130275289.db2.gz WTZKVJHWRNOZBI-UHFFFAOYSA-N 0 1 259.324 3.740 20 0 CHADMN CC(C)(C)c1cnc(CN2CCC[C@@H](C3CC3)C2)o1 ZINC000677051464 1130284562 /nfs/dbraw/zinc/28/45/62/1130284562.db2.gz MLUGXOLTXDNBLY-CYBMUJFWSA-N 0 1 262.397 3.594 20 0 CHADMN Fc1ccncc1C1=CCCN(Cc2ccccc2)C1 ZINC001240388529 1130286170 /nfs/dbraw/zinc/28/61/70/1130286170.db2.gz OJMWZDPMKVAWIV-UHFFFAOYSA-N 0 1 268.335 3.510 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N1CCC[C@H](C2CC2)C1 ZINC000677061524 1130286772 /nfs/dbraw/zinc/28/67/72/1130286772.db2.gz CNINIDDAPJKLQX-CJNGLKHVSA-N 0 1 297.402 3.920 20 0 CHADMN Cc1nc(C)c(F)c(C2=CCCN(Cc3ccccc3)C2)n1 ZINC001240387210 1130287289 /nfs/dbraw/zinc/28/72/89/1130287289.db2.gz YPZPTXZTSJBBMD-UHFFFAOYSA-N 0 1 297.377 3.522 20 0 CHADMN Cc1cc(C2=CCCN(Cc3ccccc3)C2)c(F)cn1 ZINC001240388268 1130287353 /nfs/dbraw/zinc/28/73/53/1130287353.db2.gz GIYZAXJSPMZCOF-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN Fc1cc(C2=CCCN(Cc3ccccc3)C2)cc(F)n1 ZINC001240389064 1130287812 /nfs/dbraw/zinc/28/78/12/1130287812.db2.gz ZZRBXMRMQNGRJG-UHFFFAOYSA-N 0 1 286.325 3.649 20 0 CHADMN CCCCN1CCN(Cc2scc(C)c2Cl)CC1 ZINC001137291017 1130306681 /nfs/dbraw/zinc/30/66/81/1130306681.db2.gz ARCHCUVZDCLTTK-UHFFFAOYSA-N 0 1 286.872 3.628 20 0 CHADMN COCCN(Cc1scc(C)c1Cl)C(C)C ZINC001137291380 1130306721 /nfs/dbraw/zinc/30/67/21/1130306721.db2.gz QGSWKRHTMKBGFG-UHFFFAOYSA-N 0 1 261.818 3.567 20 0 CHADMN CCO[C@H]1CCCN(Cc2scc(C)c2Cl)C1 ZINC001137291015 1130307079 /nfs/dbraw/zinc/30/70/79/1130307079.db2.gz APWFBSHNYNIHHM-NSHDSACASA-N 0 1 273.829 3.711 20 0 CHADMN Cc1cccc2nc(CN3CC[C@H](C)C(F)(F)CC3)cn21 ZINC001137295189 1130309314 /nfs/dbraw/zinc/30/93/14/1130309314.db2.gz BYISZDPUMDZUKL-LBPRGKRZSA-N 0 1 293.361 3.510 20 0 CHADMN C[C@H](c1ccncc1)N1Cc2ccccc2OC(C)(C)C1 ZINC000677514876 1130315266 /nfs/dbraw/zinc/31/52/66/1130315266.db2.gz SRMRNKHNCBYOEX-CQSZACIVSA-N 0 1 282.387 3.816 20 0 CHADMN Cc1cc(C)c(-c2ccc(C)c(C(=O)[O-])c2)c(C)[nH+]1 ZINC001243198876 1130315923 /nfs/dbraw/zinc/31/59/23/1130315923.db2.gz MJVNHXNLNAJGLN-UHFFFAOYSA-N 0 1 255.317 3.680 20 0 CHADMN O=c1[nH]c(CN2CCCC23CCCCC3)nc2ccccc21 ZINC000677568708 1130316534 /nfs/dbraw/zinc/31/65/34/1130316534.db2.gz CNHDVCHXNMBQFE-UHFFFAOYSA-N 0 1 297.402 3.634 20 0 CHADMN Cc1cc(C)c(-c2ccc(C(=O)[O-])c(C)c2)c(C)[nH+]1 ZINC001243218756 1130323097 /nfs/dbraw/zinc/32/30/97/1130323097.db2.gz UQHZMASPRXZILJ-UHFFFAOYSA-N 0 1 255.317 3.680 20 0 CHADMN Cc1cc2cc(-c3cc4nc[nH]c4c(C)c3)cnc2[nH]1 ZINC001240481651 1130323492 /nfs/dbraw/zinc/32/34/92/1130323492.db2.gz CPTFMSURKZBNEV-UHFFFAOYSA-N 0 1 262.316 3.723 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CCC2(CCOC2)CC1 ZINC000677720134 1130323688 /nfs/dbraw/zinc/32/36/88/1130323688.db2.gz NQCFFVKEMDAYIS-CYBMUJFWSA-N 0 1 292.423 3.536 20 0 CHADMN Brc1ccc(CN2CCC3(CC3)CC2)cc1 ZINC000677717333 1130324148 /nfs/dbraw/zinc/32/41/48/1130324148.db2.gz IHTKGVLXTKPOQC-UHFFFAOYSA-N 0 1 280.209 3.825 20 0 CHADMN Cc1cc2cc(-c3cc4nc[nH]c4cc3F)cnc2[nH]1 ZINC001240490525 1130325935 /nfs/dbraw/zinc/32/59/35/1130325935.db2.gz YLEAAULYEBEZPA-UHFFFAOYSA-N 0 1 266.279 3.554 20 0 CHADMN C[C@@H]1C[C@H](C)N1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000791566571 1130385916 /nfs/dbraw/zinc/38/59/16/1130385916.db2.gz OUZZMJLNTBTHCJ-RWEMILLDSA-N 0 1 274.191 3.510 20 0 CHADMN Cc1cc(C)cc(CN2CC3(C2)CC(F)(F)C3)c1 ZINC000677735837 1130327829 /nfs/dbraw/zinc/32/78/29/1130327829.db2.gz HZTBSEYLRHUXNN-UHFFFAOYSA-N 0 1 251.320 3.535 20 0 CHADMN Cc1sccc1-c1cc(F)c2c(c1)CN(C)CC2 ZINC001240503239 1130333048 /nfs/dbraw/zinc/33/30/48/1130333048.db2.gz HEBMWZHAPHJSOO-UHFFFAOYSA-N 0 1 261.365 3.851 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CCc2ccc(C)cc21 ZINC000677882067 1130336308 /nfs/dbraw/zinc/33/63/08/1130336308.db2.gz BORHPIPYZWTFLJ-HNNXBMFYSA-N 0 1 297.402 3.567 20 0 CHADMN C[C@H](O)c1ccc(CNCc2ccsc2Cl)cc1 ZINC000790956918 1130340802 /nfs/dbraw/zinc/34/08/02/1130340802.db2.gz XJRXWFRWHHNZGW-JTQLQIEISA-N 0 1 281.808 3.745 20 0 CHADMN Cc1cc([C@](C)(O)CNCc2ccsc2Cl)c(C)o1 ZINC000790970726 1130341511 /nfs/dbraw/zinc/34/15/11/1130341511.db2.gz DMVWUDBUIBEEAE-CQSZACIVSA-N 0 1 299.823 3.609 20 0 CHADMN CC(C)=CCNCc1c(C)nn(-c2ccccc2)c1Cl ZINC000790995019 1130342747 /nfs/dbraw/zinc/34/27/47/1130342747.db2.gz DWNPTCRQYWSFNC-UHFFFAOYSA-N 0 1 289.810 3.890 20 0 CHADMN Nc1ccc(-c2ccc3nc(C(F)(F)F)[nH]c3c2)c(F)c1 ZINC001240526699 1130343268 /nfs/dbraw/zinc/34/32/68/1130343268.db2.gz NWCVCNNXSSISHX-UHFFFAOYSA-N 0 1 295.239 3.970 20 0 CHADMN C[C@H](NCCSc1ccccc1F)c1cscn1 ZINC000678114297 1130350162 /nfs/dbraw/zinc/35/01/62/1130350162.db2.gz ADBCPYSUZAPLFE-JTQLQIEISA-N 0 1 282.409 3.725 20 0 CHADMN Cn1nc(CN2CCC[C@H]2c2cccs2)c2ccccc21 ZINC000678125528 1130353599 /nfs/dbraw/zinc/35/35/99/1130353599.db2.gz WIDCKOPNWFHLQQ-INIZCTEOSA-N 0 1 297.427 3.972 20 0 CHADMN CCOC(=[NH2+])c1ccc(-c2cccc(/C=C/C(=O)[O-])c2)cc1 ZINC001240550692 1130353665 /nfs/dbraw/zinc/35/36/65/1130353665.db2.gz JZXOSJONETWAIH-QXHYAXBYSA-N 0 1 295.338 3.813 20 0 CHADMN FC1(F)Oc2ccc(-c3nccc4[nH]ccc43)cc2O1 ZINC001240555861 1130354447 /nfs/dbraw/zinc/35/44/47/1130354447.db2.gz VNIISIJQLNFYFR-UHFFFAOYSA-N 0 1 274.226 3.551 20 0 CHADMN Cc1cccc(C)c1COC(=O)c1c(F)cc(O)cc1F ZINC000746986755 1130356485 /nfs/dbraw/zinc/35/64/85/1130356485.db2.gz MSRLGUKXIOQEOH-UHFFFAOYSA-N 0 1 292.281 3.644 20 0 CHADMN C[C@@H](OC(=O)c1c(F)cc(O)cc1F)c1cccc(F)c1 ZINC000746988647 1130357149 /nfs/dbraw/zinc/35/71/49/1130357149.db2.gz ZJBPMTWRUINAGL-MRVPVSSYSA-N 0 1 296.244 3.728 20 0 CHADMN CCCCN(Cc1[nH]nc2ccccc21)CC(F)(F)F ZINC000678180558 1130367419 /nfs/dbraw/zinc/36/74/19/1130367419.db2.gz YXQYKOJWVMXUOW-UHFFFAOYSA-N 0 1 285.313 3.727 20 0 CHADMN COc1ccccc1CN1CCOc2ccccc2[C@@H]1C ZINC000678196858 1130368441 /nfs/dbraw/zinc/36/84/41/1130368441.db2.gz KMLSSQOFUXULFN-AWEZNQCLSA-N 0 1 283.371 3.651 20 0 CHADMN C[C@@H]1Cc2ccccc2N1C1CCN(Cc2ccco2)CC1 ZINC000678220262 1130372647 /nfs/dbraw/zinc/37/26/47/1130372647.db2.gz UNEAXVUTYRRFMY-OAHLLOKOSA-N 0 1 296.414 3.695 20 0 CHADMN Cc1csc([C@H]2CCCN2Cc2ccc3nc[nH]c3c2)n1 ZINC000678227689 1130374744 /nfs/dbraw/zinc/37/47/44/1130374744.db2.gz OMCMXRILGAFUPT-OAHLLOKOSA-N 0 1 298.415 3.665 20 0 CHADMN CCOC(=O)c1nc2ccc(-c3cc(C)cc(F)c3)cc2[nH]1 ZINC001240595380 1130378578 /nfs/dbraw/zinc/37/85/78/1130378578.db2.gz JSBBTWAHYUJXNY-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN CC[C@@H](CN1CCOC[C@@H]1c1ccco1)c1ccccc1 ZINC000678264068 1130382006 /nfs/dbraw/zinc/38/20/06/1130382006.db2.gz JUWBSQSDAOMQKG-DOTOQJQBSA-N 0 1 285.387 3.847 20 0 CHADMN CCC[C@@H]1CN(Cc2ccccc2C2CC2)CCO1 ZINC000678270406 1130384306 /nfs/dbraw/zinc/38/43/06/1130384306.db2.gz ADYRVVVTZNBNBQ-MRXNPFEDSA-N 0 1 259.393 3.565 20 0 CHADMN CCCCCOc1ccc(CN2CCc3cn[nH]c3C2)cc1 ZINC000678276079 1130385807 /nfs/dbraw/zinc/38/58/07/1130385807.db2.gz VDRGYRNLAXIUTF-UHFFFAOYSA-N 0 1 299.418 3.537 20 0 CHADMN C[C@@H]1c2ccc(F)cc2CCN1Cc1ccc2c[nH]nc2c1 ZINC000678275811 1130386353 /nfs/dbraw/zinc/38/63/53/1130386353.db2.gz CZVCNRFJYKMJTD-GFCCVEGCSA-N 0 1 295.361 3.821 20 0 CHADMN CSc1ccccc1CN(C)CCC(=O)C(C)(C)C ZINC000791598099 1130388090 /nfs/dbraw/zinc/38/80/90/1130388090.db2.gz FWENFVLEKZJHCB-UHFFFAOYSA-N 0 1 279.449 3.846 20 0 CHADMN c1nc(-c2ccccc2)[nH]c1C[NH+]1C2CCCC1CCC2 ZINC000678279028 1130389450 /nfs/dbraw/zinc/38/94/50/1130389450.db2.gz KNVPVQLOSYWNBJ-UHFFFAOYSA-N 0 1 281.403 3.984 20 0 CHADMN c1[nH]c(-c2ccccc2)nc1CN1C2CCCC1CCC2 ZINC000678279028 1130389454 /nfs/dbraw/zinc/38/94/54/1130389454.db2.gz KNVPVQLOSYWNBJ-UHFFFAOYSA-N 0 1 281.403 3.984 20 0 CHADMN C/C=C/CN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000791636536 1130389944 /nfs/dbraw/zinc/38/99/44/1130389944.db2.gz DHYZJTVRLLKUIJ-IDOMTICXSA-N 0 1 252.361 3.645 20 0 CHADMN CC(=O)CCN(C)[C@@H](c1ccccc1Cl)C(C)C ZINC000772779780 1130393296 /nfs/dbraw/zinc/39/32/96/1130393296.db2.gz YHSDBTKOHHAFME-OAHLLOKOSA-N 0 1 267.800 3.948 20 0 CHADMN CCc1ccc(CN2CC(c3nc4ccccc4[nH]3)C2)s1 ZINC000678314528 1130398207 /nfs/dbraw/zinc/39/82/07/1130398207.db2.gz IAHIJJPNZGQAKF-UHFFFAOYSA-N 0 1 297.427 3.786 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1cnc(C2CC2)s1 ZINC000678362665 1130409723 /nfs/dbraw/zinc/40/97/23/1130409723.db2.gz KRAHOSTVPIKCRP-NSHDSACASA-N 0 1 273.405 3.575 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(F)c(F)c2)c(C)n1 ZINC000678414554 1130413099 /nfs/dbraw/zinc/41/30/99/1130413099.db2.gz UKYRGKAEJUTZAU-LLVKDONJSA-N 0 1 276.330 3.827 20 0 CHADMN CCC[C@@H](N[C@H](C)c1cccnc1)c1ccccn1 ZINC000678424101 1130415594 /nfs/dbraw/zinc/41/55/94/1130415594.db2.gz NUCWIDKYGRJIOS-CZUORRHYSA-N 0 1 255.365 3.669 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H](C)c1ccccc1F ZINC000678427814 1130416084 /nfs/dbraw/zinc/41/60/84/1130416084.db2.gz PFTSRSAXVOZUQR-CHWSQXEVSA-N 0 1 258.340 3.941 20 0 CHADMN CCc1noc(CC)c1CN[C@@H](C)c1ccc(C)nc1C ZINC000678427480 1130416119 /nfs/dbraw/zinc/41/61/19/1130416119.db2.gz KMRJAIMWRAQLGH-LBPRGKRZSA-N 0 1 287.407 3.662 20 0 CHADMN Cc1nc([C@@H]2CCCCN2C[C@H]2CCC[C@@H](C)C2)no1 ZINC000678461804 1130419476 /nfs/dbraw/zinc/41/94/76/1130419476.db2.gz PNSHNUJIQSCYLM-SNPRPXQTSA-N 0 1 277.412 3.731 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H](C)c1cccc(O)c1 ZINC000678543430 1130426201 /nfs/dbraw/zinc/42/62/01/1130426201.db2.gz CHOMSMSRNPXYOX-QWHCGFSZSA-N 0 1 256.349 3.507 20 0 CHADMN CC(C)(C)c1nc2nc[nH]c2c(-c2cccc3[nH]ccc32)n1 ZINC001240710364 1130431877 /nfs/dbraw/zinc/43/18/77/1130431877.db2.gz QIPLFVZQXWOXOH-UHFFFAOYSA-N 0 1 291.358 3.750 20 0 CHADMN CCCc1ccc([C@H](C)NCc2cc(C)ncn2)cc1 ZINC000678604450 1130439278 /nfs/dbraw/zinc/43/92/78/1130439278.db2.gz FQNCEYHWKZVZBA-AWEZNQCLSA-N 0 1 269.392 3.588 20 0 CHADMN c1oc(C2CC2)nc1CN1CC[C@@H](C2CCCCC2)C1 ZINC000827125008 1130441967 /nfs/dbraw/zinc/44/19/67/1130441967.db2.gz GPNDURQJOJYVCO-OAHLLOKOSA-N 0 1 274.408 3.954 20 0 CHADMN CCOC(=O)c1cc2[nH]c(-c3cccc(F)c3C)ccc-2n1 ZINC001240727580 1130442483 /nfs/dbraw/zinc/44/24/83/1130442483.db2.gz UECMJIUKRVEVOB-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN Fc1ccc(F)c(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000678639280 1130443735 /nfs/dbraw/zinc/44/37/35/1130443735.db2.gz OVBHBMHADCZGBW-KBPBESRZSA-N 0 1 295.373 3.603 20 0 CHADMN Fc1ccc(F)c(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000678639280 1130443740 /nfs/dbraw/zinc/44/37/40/1130443740.db2.gz OVBHBMHADCZGBW-KBPBESRZSA-N 0 1 295.373 3.603 20 0 CHADMN Cc1c(F)cccc1-c1ccc(N2CCN(C)CC2)cc1 ZINC001240731074 1130443969 /nfs/dbraw/zinc/44/39/69/1130443969.db2.gz BFPNKUYZOOLDMS-UHFFFAOYSA-N 0 1 284.378 3.553 20 0 CHADMN Cc1ccc2c(c1)CCN(C[C@H]1CC1(Cl)Cl)C2 ZINC000792310751 1130444040 /nfs/dbraw/zinc/44/40/40/1130444040.db2.gz CSISRISGKAZTDF-CYBMUJFWSA-N 0 1 270.203 3.547 20 0 CHADMN COc1ccc(C)cc1CN[C@@H](c1cccnc1)C(C)C ZINC000678688374 1130446243 /nfs/dbraw/zinc/44/62/43/1130446243.db2.gz MFNUESCUQGSZHA-GOSISDBHSA-N 0 1 284.403 3.886 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2ccncc2Cl)cc1 ZINC000678734207 1130448349 /nfs/dbraw/zinc/44/83/49/1130448349.db2.gz BJNMNBVOZSFKCB-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN CCC(CC)[C@@H](NCc1cc(C)n(C)n1)c1ccccc1 ZINC000678750294 1130449072 /nfs/dbraw/zinc/44/90/72/1130449072.db2.gz XDJWGECVXGVXHY-GOSISDBHSA-N 0 1 285.435 3.996 20 0 CHADMN CCOc1cc(C)ccc1-c1ccc2cncn2c1 ZINC001243404816 1130449423 /nfs/dbraw/zinc/44/94/23/1130449423.db2.gz DIXLYJMVGFUHSB-UHFFFAOYSA-N 0 1 252.317 3.708 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1n[nH]c2ccccc21 ZINC001137350894 1130460125 /nfs/dbraw/zinc/46/01/25/1130460125.db2.gz KAAQSKMAFINPMT-JXMROGBWSA-N 0 1 277.371 3.708 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1[nH]nc2ccccc21 ZINC001137350894 1130460130 /nfs/dbraw/zinc/46/01/30/1130460130.db2.gz KAAQSKMAFINPMT-JXMROGBWSA-N 0 1 277.371 3.708 20 0 CHADMN CC[C@H]1C[C@H](N2CCc3c4ccccc4oc3C2)CCO1 ZINC001170233551 1130465029 /nfs/dbraw/zinc/46/50/29/1130465029.db2.gz HBLDETMLZIOTNE-KGLIPLIRSA-N 0 1 285.387 3.749 20 0 CHADMN Cc1cccc(CN[C@H]2CCCc3ccc(F)cc32)n1 ZINC000678924368 1130471910 /nfs/dbraw/zinc/47/19/10/1130471910.db2.gz MPCWZUCLOKZFNH-KRWDZBQOSA-N 0 1 270.351 3.696 20 0 CHADMN Cc1nccc(NCc2nc(-c3ccccc3)cs2)c1F ZINC001170247139 1130472613 /nfs/dbraw/zinc/47/26/13/1130472613.db2.gz AKEYFDDYQJHVBJ-UHFFFAOYSA-N 0 1 299.374 3.687 20 0 CHADMN CN(C)Cc1ccc(-c2cncc(C(F)(F)F)c2)cc1F ZINC001240794624 1130475956 /nfs/dbraw/zinc/47/59/56/1130475956.db2.gz ZFFABNHWZXOFND-UHFFFAOYSA-N 0 1 298.283 3.968 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nc2c(s1)CCCC2 ZINC000678940368 1130476128 /nfs/dbraw/zinc/47/61/28/1130476128.db2.gz IBUSFOZPCFOOOL-GFCCVEGCSA-N 0 1 264.438 3.786 20 0 CHADMN CC(C)[C@H](NCc1ccc(Cl)o1)c1cccnc1 ZINC000678998156 1130481950 /nfs/dbraw/zinc/48/19/50/1130481950.db2.gz ROCIVRRCIKJLQT-AWEZNQCLSA-N 0 1 264.756 3.815 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1ccc(OC(C)C)nc1 ZINC001240810566 1130483313 /nfs/dbraw/zinc/48/33/13/1130483313.db2.gz DZLLRSBLSLGIHB-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN COc1ccc2c(c1)CN(Cc1c(C)cccc1C)CCO2 ZINC001170357582 1130484084 /nfs/dbraw/zinc/48/40/84/1130484084.db2.gz AGVDXYACFOAXRX-UHFFFAOYSA-N 0 1 297.398 3.707 20 0 CHADMN COc1ccc(C2(N[C@H](C)c3cnc(C)s3)CC2)cc1 ZINC000679030406 1130486266 /nfs/dbraw/zinc/48/62/66/1130486266.db2.gz SMUQCYWUEWUWJL-LLVKDONJSA-N 0 1 288.416 3.800 20 0 CHADMN COc1ccc(C(F)(F)F)cc1-c1ccc2[nH]nnc2c1 ZINC001240824898 1130486868 /nfs/dbraw/zinc/48/68/68/1130486868.db2.gz SNBAVAJGXBSEFW-UHFFFAOYSA-N 0 1 293.248 3.652 20 0 CHADMN COc1ccc(C(F)(F)F)cc1-c1ccc2nn[nH]c2c1 ZINC001240824898 1130486872 /nfs/dbraw/zinc/48/68/72/1130486872.db2.gz SNBAVAJGXBSEFW-UHFFFAOYSA-N 0 1 293.248 3.652 20 0 CHADMN C[C@H](CC12CC3CC(CC(C3)C1)C2)NCc1cocn1 ZINC000679051035 1130487824 /nfs/dbraw/zinc/48/78/24/1130487824.db2.gz VHFWBULQZWDOSC-JISDDCRVSA-N 0 1 274.408 3.759 20 0 CHADMN Cc1cccc(-c2ccc(N3CCN(C)CC3)cc2)c1F ZINC001240852640 1130492988 /nfs/dbraw/zinc/49/29/88/1130492988.db2.gz ZIURPVUZVVCEIB-UHFFFAOYSA-N 0 1 284.378 3.553 20 0 CHADMN CN1CCN(c2ccc(-c3ccc(C4CC4)cc3)cc2)CC1 ZINC001240852290 1130493061 /nfs/dbraw/zinc/49/30/61/1130493061.db2.gz QNUPGKFAXXTJSZ-UHFFFAOYSA-N 0 1 292.426 3.983 20 0 CHADMN Cc1cccc([C@@H](C)Nc2cnn(-c3ccncc3)c2)c1 ZINC000679127383 1130495402 /nfs/dbraw/zinc/49/54/02/1130495402.db2.gz MHPPUHNRQWPNOA-CQSZACIVSA-N 0 1 278.359 3.749 20 0 CHADMN C[C@@H](Nc1cnn(-c2ccncc2)c1)c1ccccc1F ZINC000679127312 1130495914 /nfs/dbraw/zinc/49/59/14/1130495914.db2.gz LPHRLNXWFMJJCL-GFCCVEGCSA-N 0 1 282.322 3.580 20 0 CHADMN CC[C@@H](C(=O)Nc1ccc(-c2ccccc2)c(C)c1)N(C)C ZINC000792834156 1130501193 /nfs/dbraw/zinc/50/11/93/1130501193.db2.gz CYKRWKGKYDGXEM-SFHVURJKSA-N 0 1 296.414 3.941 20 0 CHADMN Cc1cc(N2CC[C@H](C)[C@H](F)C2)c2cc(F)ccc2n1 ZINC000679190818 1130501206 /nfs/dbraw/zinc/50/12/06/1130501206.db2.gz MPZGZYYRWBWDPC-IINYFYTJSA-N 0 1 276.330 3.867 20 0 CHADMN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1CCCCCF ZINC000792867183 1130502364 /nfs/dbraw/zinc/50/23/64/1130502364.db2.gz LXXIHPBOEYZHAA-VYDXJSESSA-N 0 1 279.399 3.977 20 0 CHADMN O[C@@H](C[C@@H]1CCCCC[N@H+]1CC1(F)CC1)c1cccs1 ZINC000792843387 1130503372 /nfs/dbraw/zinc/50/33/72/1130503372.db2.gz NCHQMZWQHXXPAN-KBPBESRZSA-N 0 1 297.439 3.918 20 0 CHADMN FC(F)(F)CC1CCN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000792933102 1130508897 /nfs/dbraw/zinc/50/88/97/1130508897.db2.gz HGSDVYYOHIMXRQ-VIFPVBQESA-N 0 1 290.156 3.845 20 0 CHADMN FC(F)(F)CC1CCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000792933100 1130509131 /nfs/dbraw/zinc/50/91/31/1130509131.db2.gz HGSDVYYOHIMXRQ-SECBINFHSA-N 0 1 290.156 3.845 20 0 CHADMN Brc1cccc(CN2CCC3(CC3)CC2)c1 ZINC000679318959 1130512919 /nfs/dbraw/zinc/51/29/19/1130512919.db2.gz OFMVQQPSEGPLGH-UHFFFAOYSA-N 0 1 280.209 3.825 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1ccc(N(C)C)cc1 ZINC001240914079 1130514480 /nfs/dbraw/zinc/51/44/80/1130514480.db2.gz VIDPSUMZEVCEPM-UHFFFAOYSA-N 0 1 251.333 3.604 20 0 CHADMN Cc1ccc(F)cc1-c1cc(N2CCCC2)ccn1 ZINC001240918315 1130516341 /nfs/dbraw/zinc/51/63/41/1130516341.db2.gz RDRCJUFUBFULST-UHFFFAOYSA-N 0 1 256.324 3.796 20 0 CHADMN COc1ccc(-c2cc3nc[nH]c3c(C)c2)c(OC)c1OC ZINC001240930709 1130521313 /nfs/dbraw/zinc/52/13/13/1130521313.db2.gz KYMWDELDCPPTOD-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(O)cc2)s1 ZINC000679392104 1130526545 /nfs/dbraw/zinc/52/65/45/1130526545.db2.gz GPMZDUDOTDCDNW-LLVKDONJSA-N 0 1 276.405 3.659 20 0 CHADMN Cc1ccc([C@@H]2CSCCN2Cc2ccc(O)cc2)cc1 ZINC000679394072 1130527681 /nfs/dbraw/zinc/52/76/81/1130527681.db2.gz ZGXGJURJYBJCPT-SFHVURJKSA-N 0 1 299.439 3.991 20 0 CHADMN COCc1ccc(-c2cccc3nc(C)[nH]c32)cc1 ZINC001240952107 1130532579 /nfs/dbraw/zinc/53/25/79/1130532579.db2.gz KERMMJRRACUJGH-UHFFFAOYSA-N 0 1 252.317 3.685 20 0 CHADMN CC(C)(C)c1ccc(CN2CC[C@@]3(CC3(F)F)C2)[nH]1 ZINC001137376627 1130534425 /nfs/dbraw/zinc/53/44/25/1130534425.db2.gz KPQQDVDECXCPLS-CQSZACIVSA-N 0 1 268.351 3.543 20 0 CHADMN COc1cc(F)c(-c2ccc3[nH]c(C)nc3c2)cc1F ZINC001240956028 1130534782 /nfs/dbraw/zinc/53/47/82/1130534782.db2.gz JEWMDYRTMNKGGY-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN CC(C)(NC1CCC(C(F)(F)F)CC1)C(F)F ZINC000793253719 1130536171 /nfs/dbraw/zinc/53/61/71/1130536171.db2.gz GBAAQPSVPLWRQZ-UHFFFAOYSA-N 0 1 259.262 3.741 20 0 CHADMN Cc1nc(CN(C)C[C@@H]2CCc3ccccc32)cs1 ZINC000679535824 1130536381 /nfs/dbraw/zinc/53/63/81/1130536381.db2.gz ZZUPHWZRHOFDHH-AWEZNQCLSA-N 0 1 272.417 3.613 20 0 CHADMN C[C@H]1CC[C@@H](C(F)(F)F)CN1CCC(F)(F)F ZINC000679544883 1130538062 /nfs/dbraw/zinc/53/80/62/1130538062.db2.gz IOLOYRRSRSGJLO-JGVFFNPUSA-N 0 1 263.225 3.602 20 0 CHADMN Cc1nc(C)c(CN2C[C@H](C(F)(F)F)CC[C@H]2C)s1 ZINC000679543203 1130538578 /nfs/dbraw/zinc/53/85/78/1130538578.db2.gz UKMLAUOAMHCBEC-LDYMZIIASA-N 0 1 292.370 3.923 20 0 CHADMN COc1ccc(CNCc2cccnc2F)c2ccccc12 ZINC000793289963 1130538994 /nfs/dbraw/zinc/53/89/94/1130538994.db2.gz QLKFCQNZJXGMDN-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@H](C)c1cnccc1C ZINC000679575761 1130540481 /nfs/dbraw/zinc/54/04/81/1130540481.db2.gz SZRAOCWUSMXLIT-KGLIPLIRSA-N 0 1 269.392 3.759 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H]2CCCc3nc(C)sc32)s1 ZINC000679574625 1130540682 /nfs/dbraw/zinc/54/06/82/1130540682.db2.gz BIEVDBBWQNUDFI-KCJUWKMLSA-N 0 1 293.461 3.945 20 0 CHADMN C(=C\[C@H]1CCCN1Cc1cncs1)\c1ccccc1 ZINC000679583094 1130543251 /nfs/dbraw/zinc/54/32/51/1130543251.db2.gz OXWLLALRBYRDTB-WHLNPGIBSA-N 0 1 270.401 3.821 20 0 CHADMN C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1n[nH]c2ccccc21 ZINC000679584096 1130543596 /nfs/dbraw/zinc/54/35/96/1130543596.db2.gz KSUHVUPRCQTJJT-MNOVXSKESA-N 0 1 297.324 3.726 20 0 CHADMN C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1[nH]nc2ccccc21 ZINC000679584096 1130543610 /nfs/dbraw/zinc/54/36/10/1130543610.db2.gz KSUHVUPRCQTJJT-MNOVXSKESA-N 0 1 297.324 3.726 20 0 CHADMN C[C@@H]1C[N@@H+](CCSc2ccc(Cl)cc2)CCS1 ZINC000590944223 1130545767 /nfs/dbraw/zinc/54/57/67/1130545767.db2.gz UQMHLQAFPDUHPD-LLVKDONJSA-N 0 1 287.881 3.869 20 0 CHADMN C[C@H](c1ccccc1F)N1CCC[C@H](OC(F)F)C1 ZINC000679681686 1130551367 /nfs/dbraw/zinc/55/13/67/1130551367.db2.gz JRWSHCYAVHRQQP-MNOVXSKESA-N 0 1 273.298 3.590 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCC[C@H](OC(F)F)C1 ZINC000679710724 1130553620 /nfs/dbraw/zinc/55/36/20/1130553620.db2.gz PNZRITWTQWHYSB-NSHDSACASA-N 0 1 296.292 3.582 20 0 CHADMN C[C@@H](NCc1ccc2cccnc2c1)c1cncc(F)c1 ZINC000679750736 1130554398 /nfs/dbraw/zinc/55/43/98/1130554398.db2.gz KSKTXAGQCYLPLI-GFCCVEGCSA-N 0 1 281.334 3.620 20 0 CHADMN CN(C)c1cccc(-c2cc(F)c3c(c2)CN(C)CC3)c1 ZINC001240988958 1130554594 /nfs/dbraw/zinc/55/45/94/1130554594.db2.gz VLYQMOVTZHLNHD-UHFFFAOYSA-N 0 1 284.378 3.547 20 0 CHADMN C[C@@H](CC(F)(F)F)NCc1ccnc(Cl)c1Cl ZINC000811489969 1130612879 /nfs/dbraw/zinc/61/28/79/1130612879.db2.gz KCQBRFQDIZPAAJ-LURJTMIESA-N 0 1 287.112 3.819 20 0 CHADMN CC(C)[C@@H](NCc1ccc(F)cn1)c1ccc(F)c(F)c1 ZINC000679771455 1130557432 /nfs/dbraw/zinc/55/74/32/1130557432.db2.gz RVMHMXDTFHBCPT-MRXNPFEDSA-N 0 1 294.320 3.986 20 0 CHADMN CN(Cc1ccsc1)C[C@]1(C)CC1(Cl)Cl ZINC000827332977 1130558969 /nfs/dbraw/zinc/55/89/69/1130558969.db2.gz WEUORTQUKDJSTL-JTQLQIEISA-N 0 1 264.221 3.764 20 0 CHADMN CC[C@H](N[C@H](C)c1cc(C)nn1C)c1ccccc1OC ZINC000793528346 1130561051 /nfs/dbraw/zinc/56/10/51/1130561051.db2.gz XBSRPJUGKGDABB-HIFRSBDPSA-N 0 1 287.407 3.539 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccc(C(F)(F)F)c2)n(C)n1 ZINC000793520662 1130562548 /nfs/dbraw/zinc/56/25/48/1130562548.db2.gz VBZKFFHPJBYQSN-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN CO[C@H]1CCCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000679953816 1130564698 /nfs/dbraw/zinc/56/46/98/1130564698.db2.gz SUFIOQWHLMQYBR-NSHDSACASA-N 0 1 288.218 3.994 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1cccc(-c3ccncc3)c1)C2 ZINC001137393874 1130567104 /nfs/dbraw/zinc/56/71/04/1130567104.db2.gz MYCDQLCCSAMYIF-OALUTQOASA-N 0 1 294.398 3.502 20 0 CHADMN Cc1cc(Br)ccc1CN(C)C/C=C\Cl ZINC000769856913 1130588329 /nfs/dbraw/zinc/58/83/29/1130588329.db2.gz YKUSVCBNIOECSI-UTCJRWHESA-N 0 1 288.616 3.942 20 0 CHADMN O=c1[nH]cc(CN2CC[C@@H]2c2ccccc2)c2ccccc21 ZINC001234008480 1130597489 /nfs/dbraw/zinc/59/74/89/1130597489.db2.gz YPJONHVXDSVFLZ-GOSISDBHSA-N 0 1 290.366 3.887 20 0 CHADMN Cc1cc(N2CCC[C@@H]2c2ccc(C(C)C)cc2)nc(N)n1 ZINC000758277046 1130604004 /nfs/dbraw/zinc/60/40/04/1130604004.db2.gz OWSAXDGDLCEEKL-MRXNPFEDSA-N 0 1 296.418 3.832 20 0 CHADMN CCN(Cc1ccnc(Cl)c1Cl)CC(C)C ZINC000811455477 1130610489 /nfs/dbraw/zinc/61/04/89/1130610489.db2.gz IKEYLVCCOZOVEU-UHFFFAOYSA-N 0 1 261.196 3.866 20 0 CHADMN Fc1ccc2nc(-c3cncc4ccccc43)[nH]c2c1 ZINC000758454590 1130613373 /nfs/dbraw/zinc/61/33/73/1130613373.db2.gz MVMUGANPRPQSEM-UHFFFAOYSA-N 0 1 263.275 3.917 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1ccnc(Cl)c1Cl ZINC000811489970 1130613581 /nfs/dbraw/zinc/61/35/81/1130613581.db2.gz KCQBRFQDIZPAAJ-ZCFIWIBFSA-N 0 1 287.112 3.819 20 0 CHADMN C[C@H](C[N@H+]1CCc2ccccc2[C@@H]1C)C(F)(F)F ZINC000441157208 1130635619 /nfs/dbraw/zinc/63/56/19/1130635619.db2.gz OYMXADIKTJHHKE-MNOVXSKESA-N 0 1 257.299 3.804 20 0 CHADMN COCCN(CCF)[C@H](C)c1cccc2ccccc21 ZINC000759330724 1130652261 /nfs/dbraw/zinc/65/22/61/1130652261.db2.gz QIMADEPRUOFQSS-CQSZACIVSA-N 0 1 275.367 3.819 20 0 CHADMN CC(C)C[C@@H]1CCCN(Cc2cccnc2Cl)C1 ZINC000759391147 1130653913 /nfs/dbraw/zinc/65/39/13/1130653913.db2.gz JPSHLBLTSLCKQP-ZDUSSCGKSA-N 0 1 266.816 3.993 20 0 CHADMN COc1ccc(CN2CC[C@@](C)(CF)C2)c(OC(C)C)c1 ZINC001234689113 1130672154 /nfs/dbraw/zinc/67/21/54/1130672154.db2.gz PEOWHHAMGLNIHC-KRWDZBQOSA-N 0 1 295.398 3.664 20 0 CHADMN O=C(Nc1nc2ccc(Cl)cc2[nH]1)[C@H]1CCC[C@H](F)C1 ZINC001133191213 1130673223 /nfs/dbraw/zinc/67/32/23/1130673223.db2.gz YLJXFGUUQDWOGM-WPRPVWTQSA-N 0 1 295.745 3.683 20 0 CHADMN CCC[C@H](CC1CCCC1)C(=O)N1CCN(C)C(C)(C)C1 ZINC001133207474 1130677969 /nfs/dbraw/zinc/67/79/69/1130677969.db2.gz GIJCPJOFKJHQRS-MRXNPFEDSA-N 0 1 294.483 3.536 20 0 CHADMN Clc1ccc(CNc2cc3c(cn2)CCCC3)cn1 ZINC000812345886 1130685811 /nfs/dbraw/zinc/68/58/11/1130685811.db2.gz UGPSEMVEFSRAOF-UHFFFAOYSA-N 0 1 273.767 3.621 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccc(Cl)nc1 ZINC000780718395 1130687938 /nfs/dbraw/zinc/68/79/38/1130687938.db2.gz YJFQGEPGYOMOSA-LLVKDONJSA-N 0 1 275.783 3.543 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccccc1N(C)CC ZINC000780722598 1130688547 /nfs/dbraw/zinc/68/85/47/1130688547.db2.gz CFKBUGQFSMYNEL-OAHLLOKOSA-N 0 1 297.446 3.951 20 0 CHADMN CC[N@H+]1CCC[C@H](Oc2cc(F)c(SC)cc2F)C1 ZINC001234926731 1130692489 /nfs/dbraw/zinc/69/24/89/1130692489.db2.gz HQJCJUJVNDXXGU-JTQLQIEISA-N 0 1 287.375 3.550 20 0 CHADMN CCN1CCC[C@H](Oc2cc(F)c(SC)cc2F)C1 ZINC001234926731 1130692491 /nfs/dbraw/zinc/69/24/91/1130692491.db2.gz HQJCJUJVNDXXGU-JTQLQIEISA-N 0 1 287.375 3.550 20 0 CHADMN CCCCC[C@@](C)(CC)C(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000780973231 1130696915 /nfs/dbraw/zinc/69/69/15/1130696915.db2.gz XWSMOCANRKSPJF-BLLLJJGKSA-N 0 1 294.443 3.541 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000780973232 1130697220 /nfs/dbraw/zinc/69/72/20/1130697220.db2.gz XWSMOCANRKSPJF-LRDDRELGSA-N 0 1 294.443 3.541 20 0 CHADMN C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)c2cccc(F)c2O)C1 ZINC001133381586 1130703179 /nfs/dbraw/zinc/70/31/79/1130703179.db2.gz NCLHGOLQAYFNLS-PIGZYNQJSA-N 0 1 293.382 3.866 20 0 CHADMN CCC(N)=NOCc1cccc(SC(F)(F)F)c1 ZINC000781153990 1130705990 /nfs/dbraw/zinc/70/59/90/1130705990.db2.gz DMFZCUSFPXNJGL-UHFFFAOYSA-N 0 1 278.299 3.707 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)/C=C(\C)C(C)(C)C)c1 ZINC000781430469 1130717390 /nfs/dbraw/zinc/71/73/90/1130717390.db2.gz GNGONCCDQZPLFR-CSKARUKUSA-N 0 1 275.348 3.526 20 0 CHADMN Cc1cc(Cl)c(CN2CC[C@@H](CO)[C@H]2C)c(Cl)c1 ZINC001235173349 1130718182 /nfs/dbraw/zinc/71/81/82/1130718182.db2.gz GVGBDXDLWAFKCB-MNOVXSKESA-N 0 1 288.218 3.505 20 0 CHADMN Cc1cc(F)c(CN2CC[C@@H](c3ccncc3)C2)c(F)c1 ZINC001235195233 1130723096 /nfs/dbraw/zinc/72/30/96/1130723096.db2.gz PRQFJPMXUZFMAV-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN Fc1cc(F)c2c(c1)CC[C@@H](N1CCCC[C@H](F)C1)C2 ZINC001170690148 1130724217 /nfs/dbraw/zinc/72/42/17/1130724217.db2.gz PELMIXCHMBNAKD-GXTWGEPZSA-N 0 1 283.337 3.646 20 0 CHADMN Cc1ccnc(NCCCCC(=O)OCc2ccccc2)c1 ZINC000781680806 1130734316 /nfs/dbraw/zinc/73/43/16/1130734316.db2.gz DNXWPROPAPVGHH-UHFFFAOYSA-N 0 1 298.386 3.716 20 0 CHADMN Cc1ccnc(CN2CC[C@@H](C)C[C@@H]2C)c1Cl ZINC001235587206 1130757701 /nfs/dbraw/zinc/75/77/01/1130757701.db2.gz ZVDYHYZJWMOCNT-PWSUYJOCSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1cnc(F)c(CN2CC[C@@H](c3ccccc3F)C2)c1 ZINC001235333901 1130734804 /nfs/dbraw/zinc/73/48/04/1130734804.db2.gz JBMRWDZSTXXAEY-CYBMUJFWSA-N 0 1 288.341 3.658 20 0 CHADMN Clc1cnc(CN2CCC[C@H]2C2CCCCC2)nc1 ZINC001235413120 1130740663 /nfs/dbraw/zinc/74/06/63/1130740663.db2.gz BFRNCCVRSYJAIJ-AWEZNQCLSA-N 0 1 279.815 3.675 20 0 CHADMN Cc1cc(F)c(CN2CC[C@@H](C)C2)c(Br)c1 ZINC001235455624 1130744818 /nfs/dbraw/zinc/74/48/18/1130744818.db2.gz CYZZQKXDMDLKET-SECBINFHSA-N 0 1 286.188 3.738 20 0 CHADMN COc1cc(CN2CCC(C(C)C)CC2)cc(F)c1F ZINC001235451346 1130745513 /nfs/dbraw/zinc/74/55/13/1130745513.db2.gz PEPNRQXSFHLGDN-UHFFFAOYSA-N 0 1 283.362 3.841 20 0 CHADMN COc1cc(CN2CC[C@@H](C)C[C@H]2C)cc(F)c1F ZINC001235451912 1130745642 /nfs/dbraw/zinc/74/56/42/1130745642.db2.gz UHNLOXKXSFZWJL-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN CCCCN(Cc1ccccc1Cl)CC(OC)OC ZINC000781882961 1130746240 /nfs/dbraw/zinc/74/62/40/1130746240.db2.gz JYCAUTWXLDKUBV-UHFFFAOYSA-N 0 1 285.815 3.561 20 0 CHADMN OCC[C@H](NCc1ccc(Cl)cc1F)c1cccs1 ZINC000781916873 1130747125 /nfs/dbraw/zinc/74/71/25/1130747125.db2.gz KQONJMDLKZERQT-ZDUSSCGKSA-N 0 1 299.798 3.754 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cncc(OC)c1C ZINC001235471609 1130748061 /nfs/dbraw/zinc/74/80/61/1130748061.db2.gz VSMTVNIJYFJTDY-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN CCCO[C@H]1CCN(Cc2cc(C)cc(Cl)c2)C1 ZINC001235530167 1130752609 /nfs/dbraw/zinc/75/26/09/1130752609.db2.gz RVLNVQFYXMDAAN-HNNXBMFYSA-N 0 1 267.800 3.649 20 0 CHADMN Cc1cc(Cl)cc(CN2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001235535016 1130754072 /nfs/dbraw/zinc/75/40/72/1130754072.db2.gz OPHPDATZUIKOSD-GOEBONIOSA-N 0 1 279.811 3.649 20 0 CHADMN Cc1ccnc(CN2CCC[C@@](C)(F)CC2)c1Cl ZINC001235576019 1130756024 /nfs/dbraw/zinc/75/60/24/1130756024.db2.gz JWNLXPTYCNXOLF-CQSZACIVSA-N 0 1 270.779 3.758 20 0 CHADMN C[C@H](N[C@@H]1CCCc2ccccc21)c1cn2c(n1)CCCC2 ZINC000813323919 1130759424 /nfs/dbraw/zinc/75/94/24/1130759424.db2.gz WXLOPEFTDKVSNC-WMLDXEAASA-N 0 1 295.430 3.948 20 0 CHADMN C[C@H]1CCCN(Cc2cccn2C(=O)OC(C)(C)C)[C@H]1C ZINC001235632830 1130760222 /nfs/dbraw/zinc/76/02/22/1130760222.db2.gz RRTDXGUVSYLPLI-KBPBESRZSA-N 0 1 292.423 3.892 20 0 CHADMN CCC1CCN(Cc2cccn2C(=O)OC(C)(C)C)CC1 ZINC001235627992 1130760389 /nfs/dbraw/zinc/76/03/89/1130760389.db2.gz MTWPLRFZFKWNJK-UHFFFAOYSA-N 0 1 292.423 3.893 20 0 CHADMN CC[C@@H]1CCCCN1Cc1c(C)cncc1Br ZINC001235643366 1130760643 /nfs/dbraw/zinc/76/06/43/1130760643.db2.gz TYBLQRYFJDCTPH-GFCCVEGCSA-N 0 1 297.240 3.917 20 0 CHADMN Cc1cncc(Br)c1CN(C(C)C)C(C)C ZINC001235637207 1130761071 /nfs/dbraw/zinc/76/10/71/1130761071.db2.gz MVHCDCNKXYBMBG-UHFFFAOYSA-N 0 1 285.229 3.771 20 0 CHADMN CC(C)(C)OC(=O)n1cccc1CN1CCC2(CCC2)C1 ZINC001235641109 1130761454 /nfs/dbraw/zinc/76/14/54/1130761454.db2.gz HTIGKLDWMYMGRW-UHFFFAOYSA-N 0 1 290.407 3.647 20 0 CHADMN Cc1cc(Br)cc(CN2CC[C@@H](C)C2)c1F ZINC001235720621 1130773606 /nfs/dbraw/zinc/77/36/06/1130773606.db2.gz XNYXUJPSHQMQKH-SECBINFHSA-N 0 1 286.188 3.738 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@@H]2C)c1Br ZINC001235762213 1130777119 /nfs/dbraw/zinc/77/71/19/1130777119.db2.gz NUMRFNNNNWFRRQ-JTQLQIEISA-N 0 1 286.188 3.881 20 0 CHADMN COc1ccccc1[C@H]1CCCCN1Cc1cnoc1C ZINC000782496402 1130779902 /nfs/dbraw/zinc/77/99/02/1130779902.db2.gz NXVULABWZNOSTD-MRXNPFEDSA-N 0 1 286.375 3.719 20 0 CHADMN CN(Cc1ccncc1)Cc1ccccc1N1CCCCC1 ZINC000782495409 1130780488 /nfs/dbraw/zinc/78/04/88/1130780488.db2.gz CHMWYXSHTZXCJS-UHFFFAOYSA-N 0 1 295.430 3.704 20 0 CHADMN C[C@@H](NCc1ccc(Cl)cc1F)c1ccc[nH]1 ZINC000782532773 1130782707 /nfs/dbraw/zinc/78/27/07/1130782707.db2.gz OJDFLGXUCCUYTP-SECBINFHSA-N 0 1 252.720 3.658 20 0 CHADMN COc1nccc(CN(C)CC2CCCCC2)c1Cl ZINC001235837475 1130785053 /nfs/dbraw/zinc/78/50/53/1130785053.db2.gz GTGVJIBZLRSFIX-UHFFFAOYSA-N 0 1 282.815 3.756 20 0 CHADMN CC(C)c1cnc(CN2CCCC3(CCCC3)C2)o1 ZINC000782636075 1130785123 /nfs/dbraw/zinc/78/51/23/1130785123.db2.gz BXRORCDMTOWOFO-UHFFFAOYSA-N 0 1 262.397 3.954 20 0 CHADMN Oc1c(F)cc(F)c(-c2ncnc3ccc(F)cc32)c1F ZINC001235987845 1130823434 /nfs/dbraw/zinc/82/34/34/1130823434.db2.gz ZATPSUMXOVYGHX-UHFFFAOYSA-N 0 1 294.207 3.559 20 0 CHADMN CC(=O)Nc1ccc(-c2c(F)cc(F)c(O)c2F)c(F)c1 ZINC001235995188 1130824738 /nfs/dbraw/zinc/82/47/38/1130824738.db2.gz AWARTBQPIDEGNP-UHFFFAOYSA-N 0 1 299.223 3.574 20 0 CHADMN CC(C)(C)c1ccc(-c2c(F)cc(F)c(O)c2F)nn1 ZINC001235993803 1130824754 /nfs/dbraw/zinc/82/47/54/1130824754.db2.gz PEJUEFJFUCOLFO-UHFFFAOYSA-N 0 1 282.265 3.564 20 0 CHADMN Oc1c(F)cc(F)c(-c2c(F)cc(F)cc2F)c1F ZINC001235993928 1130824989 /nfs/dbraw/zinc/82/49/89/1130824989.db2.gz HQEXVAKKOVJNCO-UHFFFAOYSA-N 0 1 278.151 3.894 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc(F)c(F)c2F)c1F ZINC001235996153 1130825564 /nfs/dbraw/zinc/82/55/64/1130825564.db2.gz JZJRKBCWHZXQNS-UHFFFAOYSA-N 0 1 278.151 3.894 20 0 CHADMN C[C@H]1Cc2cc(-c3c(F)cc(F)c(O)c3F)ccc2O1 ZINC001235996827 1130827022 /nfs/dbraw/zinc/82/70/22/1130827022.db2.gz YXTUSPFAJRSQSK-ZETCQYMHSA-N 0 1 280.245 3.800 20 0 CHADMN COc1cccc(-c2c(F)cc(F)c(O)c2F)c1C ZINC001235999103 1130827044 /nfs/dbraw/zinc/82/70/44/1130827044.db2.gz YENFHLLRENGRMB-UHFFFAOYSA-N 0 1 268.234 3.794 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc(F)cc2F)c1F ZINC001235997595 1130827909 /nfs/dbraw/zinc/82/79/09/1130827909.db2.gz QPYSGYZLRUHGRG-UHFFFAOYSA-N 0 1 260.161 3.755 20 0 CHADMN Cc1cc2cc[nH]c2c(N[C@@H](C)c2cccc(N)c2)n1 ZINC001170729341 1130830728 /nfs/dbraw/zinc/83/07/28/1130830728.db2.gz MMSABLUCNIKNNR-NSHDSACASA-N 0 1 266.348 3.627 20 0 CHADMN c1oc(C2CC2)nc1CN1CCCC2(CCCC2)C1 ZINC000783746415 1130852432 /nfs/dbraw/zinc/85/24/32/1130852432.db2.gz WNTMNQUZNPSFRR-UHFFFAOYSA-N 0 1 260.381 3.708 20 0 CHADMN C(c1nc2c(s1)CCC2)N1CCCC2(CCCC2)C1 ZINC000783745775 1130852630 /nfs/dbraw/zinc/85/26/30/1130852630.db2.gz QKBSAYRQIIHERB-UHFFFAOYSA-N 0 1 276.449 3.788 20 0 CHADMN CC(C)c1ccc(CNCc2cccc(F)n2)cc1 ZINC000747936627 1130866536 /nfs/dbraw/zinc/86/65/36/1130866536.db2.gz XTBNXZNIPORWMA-UHFFFAOYSA-N 0 1 258.340 3.634 20 0 CHADMN Fc1cccc(CNCc2cccc(-c3ccccn3)c2)n1 ZINC000747936204 1130867238 /nfs/dbraw/zinc/86/72/38/1130867238.db2.gz REZXYGLOPCZOQW-UHFFFAOYSA-N 0 1 293.345 3.573 20 0 CHADMN CC(C)C[C@H](C(=O)NOC1CCCC1)c1ccccc1 ZINC000775274864 1130869865 /nfs/dbraw/zinc/86/98/65/1130869865.db2.gz BYZAGJAQACGJHZ-INIZCTEOSA-N 0 1 275.392 3.807 20 0 CHADMN Cc1cc2[nH]ccc2c(-c2cccnc2N2CCCC2)n1 ZINC001236125545 1130871574 /nfs/dbraw/zinc/87/15/74/1130871574.db2.gz VXFWUVGONCDHAO-UHFFFAOYSA-N 0 1 278.359 3.534 20 0 CHADMN CN(C)Cc1cc(-c2cccnc2N2CCCC2)ccc1F ZINC001236133893 1130872582 /nfs/dbraw/zinc/87/25/82/1130872582.db2.gz KHTKKDXFTXTXAB-UHFFFAOYSA-N 0 1 299.393 3.550 20 0 CHADMN CCN(Cc1csc(C2CC2)n1)CC1CCC1 ZINC000336724087 1130876664 /nfs/dbraw/zinc/87/66/64/1130876664.db2.gz HHTXHINZPDKZMM-UHFFFAOYSA-N 0 1 250.411 3.643 20 0 CHADMN CN[C@@H]1CCN1Cc1ccccc1-c1ccc(Cl)cc1 ZINC001236166247 1130878130 /nfs/dbraw/zinc/87/81/30/1130878130.db2.gz CRKFXLMJPVZCGU-KRWDZBQOSA-N 0 1 286.806 3.758 20 0 CHADMN Cc1cc(Cl)ccc1CN1CCc2ccc(N)cc2C1 ZINC001236230534 1130899362 /nfs/dbraw/zinc/89/93/62/1130899362.db2.gz COUMTPCRNAUDLR-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN CC(C)Oc1ccccc1CN1CCc2ccc(N)cc2C1 ZINC001236233362 1130900090 /nfs/dbraw/zinc/90/00/90/1130900090.db2.gz RQOBTJQPYYRWHI-UHFFFAOYSA-N 0 1 296.414 3.614 20 0 CHADMN CC(C)C(=O)Nc1ccc(-c2nccc3c2ccn3C)cc1 ZINC001236258782 1130908322 /nfs/dbraw/zinc/90/83/22/1130908322.db2.gz ZJJFHTILJHRIIZ-UHFFFAOYSA-N 0 1 293.370 3.835 20 0 CHADMN COc1cc(F)c(-c2cccc3nc(C)[nH]c32)cc1OC ZINC001236307807 1130912740 /nfs/dbraw/zinc/91/27/40/1130912740.db2.gz QCHFKNRVMJYHOU-UHFFFAOYSA-N 0 1 286.306 3.695 20 0 CHADMN Cc1cc(CN2CCc3c(N)cccc3C2)ccc1Cl ZINC001236362131 1130919669 /nfs/dbraw/zinc/91/96/69/1130919669.db2.gz DLSVWORLXCQFHU-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN COc1nc(C(C)C)ccc1-c1cccc2nc[nH]c21 ZINC001236442598 1130942672 /nfs/dbraw/zinc/94/26/72/1130942672.db2.gz GOSQIRUTPNFTRI-UHFFFAOYSA-N 0 1 267.332 3.757 20 0 CHADMN CC(C)n1ncc2cc(N[C@H]3CCCc4[nH]ncc43)ccc21 ZINC000796926981 1130946560 /nfs/dbraw/zinc/94/65/60/1130946560.db2.gz RDEFYMYNTOSEDR-HNNXBMFYSA-N 0 1 295.390 3.830 20 0 CHADMN Cc1cc(Cl)nc(Cl)c1C[N@H+](C)CC(C)C ZINC001236599463 1130982487 /nfs/dbraw/zinc/98/24/87/1130982487.db2.gz OSYINERHWVOEKJ-UHFFFAOYSA-N 0 1 261.196 3.785 20 0 CHADMN Cc1cc(Cl)nc(Cl)c1CN(C)CC(C)C ZINC001236599463 1130982489 /nfs/dbraw/zinc/98/24/89/1130982489.db2.gz OSYINERHWVOEKJ-UHFFFAOYSA-N 0 1 261.196 3.785 20 0 CHADMN C[C@@H]1CCCCCN1Cc1ccnc(Br)c1 ZINC000815047204 1130952523 /nfs/dbraw/zinc/95/25/23/1130952523.db2.gz BZLCNIXKCYPLCT-LLVKDONJSA-N 0 1 283.213 3.609 20 0 CHADMN CC(C)Oc1cncc(-c2cc3nc[nH]c3cc2F)c1 ZINC001236520607 1130963153 /nfs/dbraw/zinc/96/31/53/1130963153.db2.gz AZNALAJLZRYPSD-UHFFFAOYSA-N 0 1 271.295 3.551 20 0 CHADMN Brc1ccoc1CNc1cc2c(cn1)CCC2 ZINC000815159756 1130964037 /nfs/dbraw/zinc/96/40/37/1130964037.db2.gz YYAJUYGGYJXMRH-UHFFFAOYSA-N 0 1 293.164 3.538 20 0 CHADMN Cc1sccc1CNc1ccc(CN(C)C)c(F)c1 ZINC000815132393 1130965235 /nfs/dbraw/zinc/96/52/35/1130965235.db2.gz VUCNWAYZKHADTG-UHFFFAOYSA-N 0 1 278.396 3.869 20 0 CHADMN Cc1cc(Cl)nc(Cl)c1CN(C)CC1CC1 ZINC001236599966 1130982048 /nfs/dbraw/zinc/98/20/48/1130982048.db2.gz SKLDSXAVBUHLRR-UHFFFAOYSA-N 0 1 259.180 3.539 20 0 CHADMN Cc1cc(Cl)nc(Cl)c1C[N@@H+](C)CC1CC1 ZINC001236599966 1130982046 /nfs/dbraw/zinc/98/20/46/1130982046.db2.gz SKLDSXAVBUHLRR-UHFFFAOYSA-N 0 1 259.180 3.539 20 0 CHADMN Fc1cc(CN2CCC(C(F)F)CC2)c2c(c1)CCCO2 ZINC001236630466 1130984855 /nfs/dbraw/zinc/98/48/55/1130984855.db2.gz RIJKTFFZAAVVFU-UHFFFAOYSA-N 0 1 299.336 3.628 20 0 CHADMN Cc1cc(Cl)cc(CN2CC[C@@H](C)C[C@@H]2C)n1 ZINC001236642389 1130988925 /nfs/dbraw/zinc/98/89/25/1130988925.db2.gz FOMKGBHQROXBHA-PWSUYJOCSA-N 0 1 252.789 3.664 20 0 CHADMN COc1cc2ccccc2cc1CN1C[C@@H](C)[C@@H](F)C1 ZINC001236678172 1130992170 /nfs/dbraw/zinc/99/21/70/1130992170.db2.gz UJVPRXULKNZMIL-WBMJQRKESA-N 0 1 273.351 3.638 20 0 CHADMN C[C@H]1CCCN(Cc2ccc(Br)c(O)c2)[C@H]1C ZINC001236688232 1130993865 /nfs/dbraw/zinc/99/38/65/1130993865.db2.gz UFWYXNUCDUGTIU-QWRGUYRKSA-N 0 1 298.224 3.775 20 0 CHADMN Oc1cc(C[N@H+]2CCCC3(CC(F)C3)CC2)ccc1F ZINC001236710214 1130997582 /nfs/dbraw/zinc/99/75/82/1130997582.db2.gz KXRDNBUNZSEJIE-UHFFFAOYSA-N 0 1 281.346 3.636 20 0 CHADMN [O-]c1cc(C[N@@H+]2CCCC3(CC(F)C3)CC2)ccc1F ZINC001236710214 1130997586 /nfs/dbraw/zinc/99/75/86/1130997586.db2.gz KXRDNBUNZSEJIE-UHFFFAOYSA-N 0 1 281.346 3.636 20 0 CHADMN [O-]c1cc(C[N@H+]2CCCC3(CC(F)C3)CC2)ccc1F ZINC001236710214 1130997588 /nfs/dbraw/zinc/99/75/88/1130997588.db2.gz KXRDNBUNZSEJIE-UHFFFAOYSA-N 0 1 281.346 3.636 20 0 CHADMN c1cc2c(cccc2CN2CCOC3(CCCCC3)C2)o1 ZINC001236739156 1131001964 /nfs/dbraw/zinc/00/19/64/1131001964.db2.gz LDUZXCCEABNAOQ-UHFFFAOYSA-N 0 1 285.387 3.968 20 0 CHADMN Cc1cnc2c(c1)CN(Cc1cccc3ccoc31)CC2 ZINC001236744056 1131004971 /nfs/dbraw/zinc/00/49/71/1131004971.db2.gz XLPINMLFPSZUCU-UHFFFAOYSA-N 0 1 278.355 3.695 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)N[C@@H](CO)c1ccsc1 ZINC000815617905 1131010142 /nfs/dbraw/zinc/01/01/42/1131010142.db2.gz XYACLFRYJFHNNR-NHYWBVRUSA-N 0 1 279.380 3.580 20 0 CHADMN CN(Cc1cccnc1)Cc1ccc(F)c2ccoc21 ZINC001236892124 1131029083 /nfs/dbraw/zinc/02/90/83/1131029083.db2.gz ZRZRSRFRMMZMQF-UHFFFAOYSA-N 0 1 270.307 3.599 20 0 CHADMN CCOCC1CCN(Cc2ccc(F)c(F)c2C)CC1 ZINC001237161974 1131061275 /nfs/dbraw/zinc/06/12/75/1131061275.db2.gz NAPCQAMQEAUACF-UHFFFAOYSA-N 0 1 283.362 3.522 20 0 CHADMN Fc1cc(Cl)cc(CN2CC[C@@H](c3ccccn3)C2)c1 ZINC000798962816 1131064420 /nfs/dbraw/zinc/06/44/20/1131064420.db2.gz QLUCSDSXHMEJQJ-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1cnc([C@@H](C)N[C@@H](C)[C@@H]2C[C@H]2c2ccccc2)o1 ZINC000638925292 1131064874 /nfs/dbraw/zinc/06/48/74/1131064874.db2.gz MIOJBKAQQUIDDU-XRGAULLZSA-N 0 1 270.376 3.826 20 0 CHADMN COc1cccc(CN2CCC23CCCC3)c1Cl ZINC001237186149 1131067213 /nfs/dbraw/zinc/06/72/13/1131067213.db2.gz YKFVNSWNDYAHLG-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN COc1nc(Cl)ccc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001237242211 1131071913 /nfs/dbraw/zinc/07/19/13/1131071913.db2.gz CFUJKYBIUCMIKF-AAEUAGOBSA-N 0 1 280.799 3.508 20 0 CHADMN CC(C)CC[C@@H]1CCCCN1Cc1cnc(Cl)cn1 ZINC000799142471 1131072963 /nfs/dbraw/zinc/07/29/63/1131072963.db2.gz UAYPEMKGPXVLHS-AWEZNQCLSA-N 0 1 281.831 3.921 20 0 CHADMN Clc1cnc(CN[C@H](CC2CC2)c2ccccc2)cn1 ZINC000799155118 1131073160 /nfs/dbraw/zinc/07/31/60/1131073160.db2.gz QRYLLTJDTOUPHS-OAHLLOKOSA-N 0 1 287.794 3.761 20 0 CHADMN CCc1cccc(C)c1CN(C)Cc1cnc2ccccn12 ZINC001237325822 1131084170 /nfs/dbraw/zinc/08/41/70/1131084170.db2.gz ZRNLQDYDNGEYTC-UHFFFAOYSA-N 0 1 293.414 3.837 20 0 CHADMN CCCCC[C@H](C)CC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000816407553 1131086035 /nfs/dbraw/zinc/08/60/35/1131086035.db2.gz HOTDGUIXSWIZMS-LBPRGKRZSA-N 0 1 295.427 3.752 20 0 CHADMN CCCCC[C@H](C)CC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000816407553 1131086042 /nfs/dbraw/zinc/08/60/42/1131086042.db2.gz HOTDGUIXSWIZMS-LBPRGKRZSA-N 0 1 295.427 3.752 20 0 CHADMN COC[C@@H]1CC[N@@H+](Cc2c(Cl)ccc(C)c2Cl)C1 ZINC001237335012 1131087450 /nfs/dbraw/zinc/08/74/50/1131087450.db2.gz RPWXXKSQADQMOW-LLVKDONJSA-N 0 1 288.218 3.770 20 0 CHADMN COC[C@@H]1CCN(Cc2c(Cl)ccc(C)c2Cl)C1 ZINC001237335012 1131087452 /nfs/dbraw/zinc/08/74/52/1131087452.db2.gz RPWXXKSQADQMOW-LLVKDONJSA-N 0 1 288.218 3.770 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN1CC2(CSC2)C1 ZINC001237352523 1131088010 /nfs/dbraw/zinc/08/80/10/1131088010.db2.gz HDPDVJLKMOKNHZ-UHFFFAOYSA-N 0 1 267.825 3.506 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)c1cc(C(F)F)n[nH]1 ZINC001135566113 1131091487 /nfs/dbraw/zinc/09/14/87/1131091487.db2.gz QZLIRECMGSDVNA-UHFFFAOYSA-N 0 1 285.681 3.561 20 0 CHADMN CC(C)c1cccc(C[N@@H+]2CCC(=O)[C@H](C)CC2)c1 ZINC001237455662 1131099532 /nfs/dbraw/zinc/09/95/32/1131099532.db2.gz BFYLYNQTXKKWIS-CQSZACIVSA-N 0 1 259.393 3.611 20 0 CHADMN CC(C)c1cccc(CN2CCC(=O)[C@H](C)CC2)c1 ZINC001237455662 1131099537 /nfs/dbraw/zinc/09/95/37/1131099537.db2.gz BFYLYNQTXKKWIS-CQSZACIVSA-N 0 1 259.393 3.611 20 0 CHADMN Cc1nc2c(cccc2-c2cc(O)c(F)c(F)c2F)[nH]1 ZINC001245638153 1131102028 /nfs/dbraw/zinc/10/20/28/1131102028.db2.gz BLRYYDHJWAYDHG-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN Cc1cc(-c2c(O)cccc2F)nc(C(F)(F)F)c1 ZINC001245653054 1131103291 /nfs/dbraw/zinc/10/32/91/1131103291.db2.gz GCIGLFZJNMTFNA-UHFFFAOYSA-N 0 1 271.213 3.921 20 0 CHADMN Cc1cc(CN2CCC[C@H]2C)c(Br)cc1F ZINC001237505211 1131105681 /nfs/dbraw/zinc/10/56/81/1131105681.db2.gz DWJNTFGXXOCAAX-SNVBAGLBSA-N 0 1 286.188 3.881 20 0 CHADMN Cc1cc(CN(C)Cc2cccc3c(F)cccc23)n(C)n1 ZINC001237515792 1131108012 /nfs/dbraw/zinc/10/80/12/1131108012.db2.gz PVKBWTFEFUOWJU-UHFFFAOYSA-N 0 1 297.377 3.653 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1cccc2c(F)cccc12 ZINC001237517298 1131108696 /nfs/dbraw/zinc/10/86/96/1131108696.db2.gz FOGDVCAJUNXDKO-SFHVURJKSA-N 0 1 285.362 3.922 20 0 CHADMN Cc1ncc(CN2CCCC[C@H](C)C2)cc1Br ZINC001237556807 1131114705 /nfs/dbraw/zinc/11/47/05/1131114705.db2.gz WSNFJXMGMJVVTA-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN COc1ccc(OC)c(CN2[C@@H](C)CCC[C@@H]2C)c1F ZINC001237567939 1131114763 /nfs/dbraw/zinc/11/47/63/1131114763.db2.gz IOXCQLVOCXLZSC-RYUDHWBXSA-N 0 1 281.371 3.606 20 0 CHADMN CO[C@@H]1CN(Cc2cccc(-c3ccccc3)c2C)C[C@@H]1F ZINC001237580177 1131116349 /nfs/dbraw/zinc/11/63/49/1131116349.db2.gz GAKVQQAFSJOLAH-RBUKOAKNSA-N 0 1 299.389 3.831 20 0 CHADMN O[C@@H](CN1CC[C@H]1c1ccccc1)c1ccccc1Cl ZINC000799996688 1131120023 /nfs/dbraw/zinc/12/00/23/1131120023.db2.gz CYLOCRQOGXHUCP-IRXDYDNUSA-N 0 1 287.790 3.820 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H](F)CC2)c(F)c1 ZINC001237636687 1131121628 /nfs/dbraw/zinc/12/16/28/1131121628.db2.gz GTFCUOYUDAYELA-CYBMUJFWSA-N 0 1 269.335 3.548 20 0 CHADMN Cc1ccnc2cccc(CN(C)Cc3cncs3)c12 ZINC001237635597 1131121966 /nfs/dbraw/zinc/12/19/66/1131121966.db2.gz JIICYDHSWCWCGT-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN CCc1n[nH]cc1CN1CCCC[C@@H]1c1ccccc1F ZINC001237650898 1131123426 /nfs/dbraw/zinc/12/34/26/1131123426.db2.gz KOIZQVIRHIKJAC-QGZVFWFLSA-N 0 1 287.382 3.838 20 0 CHADMN CCc1n[nH]cc1CN(CC)Cc1cccc(Cl)c1 ZINC001237651859 1131123720 /nfs/dbraw/zinc/12/37/20/1131123720.db2.gz ACTYGGWKNKLLGD-UHFFFAOYSA-N 0 1 277.799 3.648 20 0 CHADMN Cc1coc(CN2CCC3(CCc4ccc(C)cc43)CC2)n1 ZINC001237644789 1131124050 /nfs/dbraw/zinc/12/40/50/1131124050.db2.gz LJEKICAUWGSNLL-UHFFFAOYSA-N 0 1 296.414 3.771 20 0 CHADMN CC1(C)COCCN1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001237664780 1131124598 /nfs/dbraw/zinc/12/45/98/1131124598.db2.gz IFXUTSZXYQMBMK-UHFFFAOYSA-N 0 1 297.398 3.670 20 0 CHADMN CC(=CC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1)C(C)(C)C ZINC000816752307 1131125441 /nfs/dbraw/zinc/12/54/41/1131125441.db2.gz YROCMCNRTPRBIG-KHPPLWFESA-N 0 1 299.374 3.713 20 0 CHADMN C[C@@H]1CN(Cc2ccc(-c3ccc(O)cc3)cc2)[C@H](C)CO1 ZINC001237668084 1131127083 /nfs/dbraw/zinc/12/70/83/1131127083.db2.gz HFOPCUPHRBBUAS-HUUCEWRRSA-N 0 1 297.398 3.668 20 0 CHADMN CCCc1ccc(NC(=O)[C@@H]2C[C@H](C)Cc3cn[nH]c32)cc1 ZINC000816833206 1131128920 /nfs/dbraw/zinc/12/89/20/1131128920.db2.gz ARJCOVIQJJEUSG-MLGOLLRUSA-N 0 1 297.402 3.667 20 0 CHADMN CCCO[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2Cl)C1 ZINC001237705105 1131130925 /nfs/dbraw/zinc/13/09/25/1131130925.db2.gz YZYBLSCFRKDLGT-OAHLLOKOSA-N 0 1 281.827 3.958 20 0 CHADMN COc1ccc(C)c(CN(Cc2ccco2)C2CC2)c1 ZINC001237715598 1131133001 /nfs/dbraw/zinc/13/30/01/1131133001.db2.gz MAQCTAUHLWGEQD-UHFFFAOYSA-N 0 1 271.360 3.761 20 0 CHADMN Cc1ccc2nc(NC(=O)C[C@@H]3CCC(F)(F)C3)[nH]c2c1 ZINC000817017723 1131136192 /nfs/dbraw/zinc/13/61/92/1131136192.db2.gz ZVZLRUPHOYGVSU-JTQLQIEISA-N 0 1 293.317 3.635 20 0 CHADMN Cc1ccc2nc(NC(=O)C[C@H]3CCC(F)(F)C3)[nH]c2c1 ZINC000817017724 1131136219 /nfs/dbraw/zinc/13/62/19/1131136219.db2.gz ZVZLRUPHOYGVSU-SNVBAGLBSA-N 0 1 293.317 3.635 20 0 CHADMN CC=C(C=CC(=O)Nc1nc2ccc(C)cc2[nH]1)CC ZINC000817018140 1131136324 /nfs/dbraw/zinc/13/63/24/1131136324.db2.gz QBBFEYKUAXLBIO-AYMHWXCPSA-N 0 1 269.348 3.722 20 0 CHADMN COc1ccc(CN2CCC3(CCCC3)C2)c(Cl)n1 ZINC001237802557 1131142512 /nfs/dbraw/zinc/14/25/12/1131142512.db2.gz LDBZDQKYVJXPOE-UHFFFAOYSA-N 0 1 280.799 3.510 20 0 CHADMN COc1ccoc1CN(Cc1ccccc1)CC(C)C ZINC001237863020 1131145379 /nfs/dbraw/zinc/14/53/79/1131145379.db2.gz IEQMLYGIQPGLRW-UHFFFAOYSA-N 0 1 273.376 3.946 20 0 CHADMN COc1cc(C[N@H+]2CC(C)(C)C2(C)C)ccc1OC(F)F ZINC001116444059 1131146408 /nfs/dbraw/zinc/14/64/08/1131146408.db2.gz PGEQALFXZCRHPU-UHFFFAOYSA-N 0 1 299.361 3.917 20 0 CHADMN COc1cc(CN2CC(C)(C)C2(C)C)ccc1OC(F)F ZINC001116444059 1131146409 /nfs/dbraw/zinc/14/64/09/1131146409.db2.gz PGEQALFXZCRHPU-UHFFFAOYSA-N 0 1 299.361 3.917 20 0 CHADMN Cc1cc(CNc2ccccc2N2CCCCCC2)n[nH]1 ZINC001116448995 1131146527 /nfs/dbraw/zinc/14/65/27/1131146527.db2.gz IFBQZSJGWCQLDZ-UHFFFAOYSA-N 0 1 284.407 3.711 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CCC[C@H](C)[C@H]1C ZINC001237874616 1131147043 /nfs/dbraw/zinc/14/70/43/1131147043.db2.gz HHMXYQPZNFGFTA-QWHCGFSZSA-N 0 1 287.407 3.639 20 0 CHADMN CCCOc1cc(F)ccc1CN1CC[C@H](OC(C)C)C1 ZINC001237908265 1131150453 /nfs/dbraw/zinc/15/04/53/1131150453.db2.gz GAPRKGPWEDFQAX-INIZCTEOSA-N 0 1 295.398 3.614 20 0 CHADMN CCCOc1cc(F)ccc1CN1CCC[C@@H](F)CC1 ZINC001237903023 1131150474 /nfs/dbraw/zinc/15/04/74/1131150474.db2.gz FAOCKHXVEUZOBF-CQSZACIVSA-N 0 1 283.362 3.939 20 0 CHADMN CCCOc1cc(F)ccc1CN1CCCC[C@H]1COC ZINC001237903034 1131150710 /nfs/dbraw/zinc/15/07/10/1131150710.db2.gz FKKWPZVBUBYEHA-INIZCTEOSA-N 0 1 295.398 3.615 20 0 CHADMN CCCC[N@@H+](C)Cc1csc(-c2ccc(O)cc2)n1 ZINC001237976885 1131156523 /nfs/dbraw/zinc/15/65/23/1131156523.db2.gz ANSGYIHKLQONNM-UHFFFAOYSA-N 0 1 276.405 3.748 20 0 CHADMN CCCCN(C)Cc1csc(-c2ccc(O)cc2)n1 ZINC001237976885 1131156526 /nfs/dbraw/zinc/15/65/26/1131156526.db2.gz ANSGYIHKLQONNM-UHFFFAOYSA-N 0 1 276.405 3.748 20 0 CHADMN C[C@H]1CCCN(Cc2csc(-c3ccc(O)cc3)n2)C1 ZINC001237977174 1131157019 /nfs/dbraw/zinc/15/70/19/1131157019.db2.gz FNGCQBKMYDIXIG-LBPRGKRZSA-N 0 1 288.416 3.748 20 0 CHADMN C[N@@H+](Cc1cccs1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237988210 1131157866 /nfs/dbraw/zinc/15/78/66/1131157866.db2.gz DXZBVQRRGMILMY-UHFFFAOYSA-N 0 1 285.771 3.878 20 0 CHADMN [O-]c1c(F)cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1Cl ZINC001237982949 1131158470 /nfs/dbraw/zinc/15/84/70/1131158470.db2.gz AYHCYWDYAPBNOP-TXEJJXNPSA-N 0 1 283.774 3.807 20 0 CHADMN C[C@]1(F)CCCCN(Cc2[nH]nc3cc(Cl)ccc32)C1 ZINC001237994710 1131159598 /nfs/dbraw/zinc/15/95/98/1131159598.db2.gz YYJLPHQFMSHIKK-HNNXBMFYSA-N 0 1 295.789 3.930 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1cc(F)c([O-])c(Cl)c1 ZINC001237994470 1131159619 /nfs/dbraw/zinc/15/96/19/1131159619.db2.gz JYVOXDCNKRXQDK-NSHDSACASA-N 0 1 271.763 3.949 20 0 CHADMN Clc1ccc2c(c1)n[nH]c2CN1CCC[C@@H]2CCC[C@@H]21 ZINC001238000621 1131159822 /nfs/dbraw/zinc/15/98/22/1131159822.db2.gz LYQVHLVINCUJDI-ZBEGNZNMSA-N 0 1 289.810 3.981 20 0 CHADMN COc1ncc(C2CC2)cc1CN1CCC(C(C)C)CC1 ZINC001238027505 1131164071 /nfs/dbraw/zinc/16/40/71/1131164071.db2.gz CYVSFLOKFZXHPM-UHFFFAOYSA-N 0 1 288.435 3.836 20 0 CHADMN CCOc1cc(CN2CCC[C@](C)(F)C2)ccc1C ZINC001238066597 1131166645 /nfs/dbraw/zinc/16/66/45/1131166645.db2.gz DCNKICHVOOQXQN-INIZCTEOSA-N 0 1 265.372 3.718 20 0 CHADMN CCOc1cc(CN(C)C2CC(F)(F)C2)ccc1C ZINC001238071073 1131168263 /nfs/dbraw/zinc/16/82/63/1131168263.db2.gz VLKNJMOOHFCQLJ-UHFFFAOYSA-N 0 1 269.335 3.623 20 0 CHADMN Cc1nc(Cl)ccc1-c1cc(N2CCCC2)ccn1 ZINC001245770188 1131169973 /nfs/dbraw/zinc/16/99/73/1131169973.db2.gz XUDTZISIHQMXDM-UHFFFAOYSA-N 0 1 273.767 3.706 20 0 CHADMN Cc1cc(CN2CC[C@H]3CCCO[C@@H]3C2)cc(C)c1Cl ZINC001238091021 1131171240 /nfs/dbraw/zinc/17/12/40/1131171240.db2.gz VEVGLMYCNBVTHG-HZPDHXFCSA-N 0 1 293.838 3.958 20 0 CHADMN CCCC[N@@H+](CC)Cc1cc(Cl)c([O-])cc1F ZINC001238143481 1131172692 /nfs/dbraw/zinc/17/26/92/1131172692.db2.gz NDNACWACQUPXKT-UHFFFAOYSA-N 0 1 259.752 3.807 20 0 CHADMN COc1cc(CNc2nccn2-c2ccccc2)ccc1F ZINC001117133148 1131173443 /nfs/dbraw/zinc/17/34/43/1131173443.db2.gz BGHJLVYMQQYGMN-UHFFFAOYSA-N 0 1 297.333 3.632 20 0 CHADMN Oc1cc(F)c(CN2CCCC[C@@H](F)C2)cc1Cl ZINC001238143905 1131174025 /nfs/dbraw/zinc/17/40/25/1131174025.db2.gz QHHLXYHIQOKPMN-SNVBAGLBSA-N 0 1 275.726 3.509 20 0 CHADMN [O-]c1cc(F)c(C[N@@H+]2CCC[C@H](F)CC2)cc1Cl ZINC001238142498 1131174476 /nfs/dbraw/zinc/17/44/76/1131174476.db2.gz DYXOFQVHVQIFSU-JTQLQIEISA-N 0 1 275.726 3.509 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCC[C@H](F)CC2)cc1Cl ZINC001238142498 1131174478 /nfs/dbraw/zinc/17/44/78/1131174478.db2.gz DYXOFQVHVQIFSU-JTQLQIEISA-N 0 1 275.726 3.509 20 0 CHADMN [O-]c1cc(F)c(C[NH+]2CC3(C2)CCCCC3)cc1Cl ZINC001238150461 1131174531 /nfs/dbraw/zinc/17/45/31/1131174531.db2.gz VIWHUKRWPXDGKV-UHFFFAOYSA-N 0 1 283.774 3.951 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC001238150530 1131174636 /nfs/dbraw/zinc/17/46/36/1131174636.db2.gz ZIDMALHGMIBMTL-KRWDZBQOSA-N 0 1 281.355 3.640 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC001238146737 1131174984 /nfs/dbraw/zinc/17/49/84/1131174984.db2.gz YUFMERLCTTUGKC-CQSZACIVSA-N 0 1 295.382 3.640 20 0 CHADMN c1ncc(C2CC2)cc1CN1CC2(C1)CCCCC2 ZINC001238194880 1131179523 /nfs/dbraw/zinc/17/95/23/1131179523.db2.gz VMSDLLIYANIVIW-UHFFFAOYSA-N 0 1 256.393 3.725 20 0 CHADMN CCCN(CC)Cc1ccnc(Br)c1Cl ZINC001238369869 1131192860 /nfs/dbraw/zinc/19/28/60/1131192860.db2.gz BMHHYHBWDJBIIG-UHFFFAOYSA-N 0 1 291.620 3.729 20 0 CHADMN CN(Cc1ccsc1)Cc1cccc(-c2cc[nH]n2)c1 ZINC001238208989 1131180355 /nfs/dbraw/zinc/18/03/55/1131180355.db2.gz XSDAOJNHNNTLQN-UHFFFAOYSA-N 0 1 283.400 3.770 20 0 CHADMN C[C@@H]1CCCN(Cc2c(F)ccnc2Cl)C[C@H]1C ZINC001238224449 1131185212 /nfs/dbraw/zinc/18/52/12/1131185212.db2.gz KMJRBAUIUFITQF-GHMZBOCLSA-N 0 1 270.779 3.742 20 0 CHADMN Cc1cc(CN2CC[C@H]3OCCC[C@@H]3C2)c(F)cc1Cl ZINC001238298217 1131188741 /nfs/dbraw/zinc/18/87/41/1131188741.db2.gz FSLPRXNJCNUPAP-MLGOLLRUSA-N 0 1 297.801 3.788 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CC[C@H](OC(C)C)C1 ZINC001238325122 1131190807 /nfs/dbraw/zinc/19/08/07/1131190807.db2.gz XGBUYARLEMAFBF-HNNXBMFYSA-N 0 1 295.398 3.612 20 0 CHADMN COc1cc(CN(C)[C@H]2CC[C@H](C)CC2)c(Cl)cn1 ZINC001238365540 1131192136 /nfs/dbraw/zinc/19/21/36/1131192136.db2.gz IIZDHOITLKLHTL-AULYBMBSSA-N 0 1 282.815 3.754 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(OC)ncc1Cl ZINC001238354272 1131192489 /nfs/dbraw/zinc/19/24/89/1131192489.db2.gz KTIGPKGDRAQTGW-GFCCVEGCSA-N 0 1 268.788 3.508 20 0 CHADMN Cc1nnc(S[C@H](C)c2ccc(Br)cc2)[nH]1 ZINC001117709146 1131193103 /nfs/dbraw/zinc/19/31/03/1131193103.db2.gz FLHNDDMWSKGHGS-SSDOTTSWSA-N 0 1 298.209 3.729 20 0 CHADMN Cc1n[nH]c(S[C@H](C)c2ccc(Br)cc2)n1 ZINC001117709146 1131193107 /nfs/dbraw/zinc/19/31/07/1131193107.db2.gz FLHNDDMWSKGHGS-SSDOTTSWSA-N 0 1 298.209 3.729 20 0 CHADMN Cc1cc(CN2CCC(C)(F)CC2)cnc1OC(C)C ZINC001238376502 1131194839 /nfs/dbraw/zinc/19/48/39/1131194839.db2.gz RHKNAOJHVJHQMH-UHFFFAOYSA-N 0 1 280.387 3.501 20 0 CHADMN CCOc1ccc(CN(CCOC)C(C)C)c(Cl)c1 ZINC001238400510 1131195601 /nfs/dbraw/zinc/19/56/01/1131195601.db2.gz SEPWNTGMHRIXCE-UHFFFAOYSA-N 0 1 285.815 3.596 20 0 CHADMN CCOc1ccc(CN(C)C2CC(C)C2)c(Cl)c1 ZINC001238394778 1131195869 /nfs/dbraw/zinc/19/58/69/1131195869.db2.gz MMOAWLWVIKSUMD-UHFFFAOYSA-N 0 1 267.800 3.969 20 0 CHADMN Cc1cccc(CN(C)Cc2cc(C)c(Cl)cn2)c1 ZINC001238425615 1131198409 /nfs/dbraw/zinc/19/84/09/1131198409.db2.gz GIXXVQOQDNFTDV-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CC(C)Oc1cccc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c1F ZINC001238426825 1131199225 /nfs/dbraw/zinc/19/92/25/1131199225.db2.gz ZVXXXKQWFAFZMM-MELADBBJSA-N 0 1 281.346 3.545 20 0 CHADMN CC(C)Oc1ccc(CN2CCC(C)(F)CC2)c(F)c1 ZINC001238443381 1131201152 /nfs/dbraw/zinc/20/11/52/1131201152.db2.gz DDBZILGRDDLOSM-UHFFFAOYSA-N 0 1 283.362 3.937 20 0 CHADMN CCCN(Cc1ccccc1)Cc1cnc(F)c(OC)c1 ZINC001238453126 1131202582 /nfs/dbraw/zinc/20/25/82/1131202582.db2.gz DYVRMIRHDQBHKH-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN C[C@H](NC/C=C/C1CC1)c1ncc(-c2ccccc2)n1C ZINC001117831302 1131203671 /nfs/dbraw/zinc/20/36/71/1131203671.db2.gz MAXDQVBFENZKTE-UZYOAWRESA-N 0 1 281.403 3.704 20 0 CHADMN CC[C@@H](C)N(C)Cc1ccc(C)cc1Br ZINC001137803952 1131417658 /nfs/dbraw/zinc/41/76/58/1131417658.db2.gz GDECLVTVWWHKFI-LLVKDONJSA-N 0 1 270.214 3.988 20 0 CHADMN COC1(C)CCN(Cc2ccc(Cl)c(C)c2F)CC1 ZINC001238513434 1131211851 /nfs/dbraw/zinc/21/18/51/1131211851.db2.gz UWQAVBSFYJAECR-UHFFFAOYSA-N 0 1 285.790 3.788 20 0 CHADMN Cc1c(Cl)ccc(CN2C[C@H]3CC[C@@H]2C3)c1F ZINC001238518800 1131211975 /nfs/dbraw/zinc/21/19/75/1131211975.db2.gz ZOAZOUBVJTZREQ-CMPLNLGQSA-N 0 1 253.748 3.772 20 0 CHADMN Cc1ccc(Cl)c(CN(C)CCc2ccccn2)c1 ZINC001238554943 1131214990 /nfs/dbraw/zinc/21/49/90/1131214990.db2.gz BJTXYASCEBOQBZ-UHFFFAOYSA-N 0 1 274.795 3.718 20 0 CHADMN COc1cc(C)cc(F)c1CN1CCCC(F)(F)CC1 ZINC001238582527 1131218514 /nfs/dbraw/zinc/21/85/14/1131218514.db2.gz DWPKKQKNOPLFPA-UHFFFAOYSA-N 0 1 287.325 3.764 20 0 CHADMN COc1cc(C)cc(F)c1CN1CCC[C@@H]2CCC[C@H]21 ZINC001238592318 1131219678 /nfs/dbraw/zinc/21/96/78/1131219678.db2.gz RZYNCNYVKDFACS-XJKSGUPXSA-N 0 1 277.383 3.907 20 0 CHADMN COc1cc(C)cc(F)c1CN(C)CCc1cccs1 ZINC001238592989 1131220021 /nfs/dbraw/zinc/22/00/21/1131220021.db2.gz ZLXQCSNPMODTCS-UHFFFAOYSA-N 0 1 293.407 3.879 20 0 CHADMN Cc1cnc(-c2ccccc2)c(CN2C[C@@H](F)C[C@H]2C)c1 ZINC001238618053 1131222933 /nfs/dbraw/zinc/22/29/33/1131222933.db2.gz GJFODIYSUDROBF-PBHICJAKSA-N 0 1 284.378 3.989 20 0 CHADMN CCc1nc([C@H](C)SCCSC(C)(C)C)n[nH]1 ZINC001118414438 1131223926 /nfs/dbraw/zinc/22/39/26/1131223926.db2.gz XEKYRCPYPNBQNA-VIFPVBQESA-N 0 1 273.471 3.693 20 0 CHADMN CCCCN(C)Cc1cc(F)c(F)cc1OCC ZINC001238657035 1131225908 /nfs/dbraw/zinc/22/59/08/1131225908.db2.gz JZSGUJAQWRWUOE-UHFFFAOYSA-N 0 1 257.324 3.595 20 0 CHADMN CCOc1cc(F)c(F)cc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC001238652194 1131226010 /nfs/dbraw/zinc/22/60/10/1131226010.db2.gz OIVLZGNTKKXQCY-TXEJJXNPSA-N 0 1 281.346 3.595 20 0 CHADMN CSc1ccc(Cl)cc1CN1CCOC[C@H](C)C1 ZINC001238671939 1131229063 /nfs/dbraw/zinc/22/90/63/1131229063.db2.gz NZTVNYAYZWUJKE-LLVKDONJSA-N 0 1 285.840 3.530 20 0 CHADMN CCCN(Cc1cccnc1Br)[C@H](C)CC ZINC001137793014 1131417092 /nfs/dbraw/zinc/41/70/92/1131417092.db2.gz XKBFANWGKYXKMW-LLVKDONJSA-N 0 1 285.229 3.855 20 0 CHADMN Cc1ccc([C@H](c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)C(C)C)cc1 ZINC000823199901 1131417918 /nfs/dbraw/zinc/41/79/18/1131417918.db2.gz JKAFOADWOAYCLW-LVQVYYBASA-N 0 1 297.402 3.589 20 0 CHADMN CC/C(C)=C/C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000823267257 1131419280 /nfs/dbraw/zinc/41/92/80/1131419280.db2.gz SBJRCXGOHZGWFL-TTZKWOQHSA-N 0 1 291.782 3.750 20 0 CHADMN CC(C)[C@H](C)[N@@H+](Cc1ccnc(Cl)c1F)C1CC1 ZINC000823375461 1131423929 /nfs/dbraw/zinc/42/39/29/1131423929.db2.gz SVRYJVWSIXMSGB-JTQLQIEISA-N 0 1 270.779 3.883 20 0 CHADMN CC(C)[C@H](C)N(Cc1ccnc(Cl)c1F)C1CC1 ZINC000823375461 1131423930 /nfs/dbraw/zinc/42/39/30/1131423930.db2.gz SVRYJVWSIXMSGB-JTQLQIEISA-N 0 1 270.779 3.883 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCCCC[C@@H]2C(C)C)c1 ZINC001137856792 1131425211 /nfs/dbraw/zinc/42/52/11/1131425211.db2.gz KEDUWPMIMWAFGB-MRXNPFEDSA-N 0 1 299.418 3.912 20 0 CHADMN Fc1cc(F)c(F)c(CN2C[C@@H]3CCCC[C@H]3C2)c1 ZINC001137868209 1131426473 /nfs/dbraw/zinc/42/64/73/1131426473.db2.gz DWYSAEIVSFZXOW-QWRGUYRKSA-N 0 1 269.310 3.726 20 0 CHADMN CCO[C@H]1C[C@H](NCc2ncc(C(C)C)o2)C12CCCC2 ZINC000829630000 1131426694 /nfs/dbraw/zinc/42/66/94/1131426694.db2.gz YJXPLIZRBMPKTI-GJZGRUSLSA-N 0 1 292.423 3.625 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1cc(F)ncc1F)C1CC1 ZINC000823438306 1131427054 /nfs/dbraw/zinc/42/70/54/1131427054.db2.gz SXCASGONNJAAEU-QWRGUYRKSA-N 0 1 268.351 3.759 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1cc(F)ncc1F ZINC000823471257 1131429476 /nfs/dbraw/zinc/42/94/76/1131429476.db2.gz RYTAZLYTIYMFON-DOMZBBRYSA-N 0 1 288.341 3.738 20 0 CHADMN C[C@@H](NC[C@@]1(C)CC1(Cl)Cl)c1c(F)cncc1F ZINC000829768795 1131432369 /nfs/dbraw/zinc/43/23/69/1131432369.db2.gz ZVBPMLAIRVLODT-RDDDGLTNSA-N 0 1 295.160 3.594 20 0 CHADMN CC(C)[C@H](NCc1cc(F)ncc1F)c1ccc(F)cc1 ZINC000823602825 1131433326 /nfs/dbraw/zinc/43/33/26/1131433326.db2.gz TVEAXSVVMCHCRW-INIZCTEOSA-N 0 1 294.320 3.986 20 0 CHADMN CCCC[C@H](C(=O)Nc1cc(C(C)=O)ccc1O)C(C)C ZINC001137920775 1131435753 /nfs/dbraw/zinc/43/57/53/1131435753.db2.gz HCZYBIHXSPRHFU-AWEZNQCLSA-N 0 1 291.391 3.996 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3Cc3cscn3)[nH]c2c1 ZINC000829859479 1131436526 /nfs/dbraw/zinc/43/65/26/1131436526.db2.gz SSROUMONGXCLKV-HNNXBMFYSA-N 0 1 298.415 3.665 20 0 CHADMN CCC(CC)N(C)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC001137950091 1131440882 /nfs/dbraw/zinc/44/08/82/1131440882.db2.gz ZELQYDVSEHBRMZ-UHFFFAOYSA-N 0 1 297.752 3.713 20 0 CHADMN COCC[C@@H]1CCCCN1Cc1ccc(C)c(F)c1F ZINC001137968570 1131444257 /nfs/dbraw/zinc/44/42/57/1131444257.db2.gz KNMNPRFBZMDMNT-AWEZNQCLSA-N 0 1 283.362 3.664 20 0 CHADMN C[C@@H]1C[C@H](F)CN1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171037816 1131447370 /nfs/dbraw/zinc/44/73/70/1131447370.db2.gz QMLRRNZLYLYNSK-KGYLQXTDSA-N 0 1 267.775 3.630 20 0 CHADMN Clc1cccc2c1CC[C@@H](N1CCc3cnccc3C1)C2 ZINC001171038781 1131450840 /nfs/dbraw/zinc/45/08/40/1131450840.db2.gz YUCFWYWYBBTAQE-MRXNPFEDSA-N 0 1 298.817 3.651 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N(C)Cc1cn[nH]c1C ZINC000824051279 1131451854 /nfs/dbraw/zinc/45/18/54/1131451854.db2.gz UDEMVUAGLSRFRG-ZDUSSCGKSA-N 0 1 279.428 3.673 20 0 CHADMN CC(C)C[C@H](NCc1cc(C2CC2)nn1C)c1ccccn1 ZINC000824017660 1131452737 /nfs/dbraw/zinc/45/27/37/1131452737.db2.gz GTQATERVVUIRKC-SFHVURJKSA-N 0 1 298.434 3.570 20 0 CHADMN O=C(Nc1scnc1C1CC1)c1ccc(Cl)c(O)c1 ZINC001138025919 1131453658 /nfs/dbraw/zinc/45/36/58/1131453658.db2.gz XNSVOGAUIQDEQV-UHFFFAOYSA-N 0 1 294.763 3.632 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC[C@@](C)(O)[C@@H](C)C2)c1F ZINC001138030332 1131455605 /nfs/dbraw/zinc/45/56/05/1131455605.db2.gz BBXDWUZQAIDIIX-BLLLJJGKSA-N 0 1 299.817 3.770 20 0 CHADMN CC(C)(O)c1ccc(CNc2cc3c(cn2)CCCC3)cc1 ZINC000830402152 1131456170 /nfs/dbraw/zinc/45/61/70/1131456170.db2.gz KLQCDGNHGUMHEW-UHFFFAOYSA-N 0 1 296.414 3.800 20 0 CHADMN CO[C@H]1CCN(Cc2c(Cl)ccc(C)c2F)[C@@H](C)C1 ZINC001138036940 1131456902 /nfs/dbraw/zinc/45/69/02/1131456902.db2.gz CJJWQPKBXVWVIY-RYUDHWBXSA-N 0 1 285.790 3.787 20 0 CHADMN Cc1cccc([C@H]2CCN(Cc3cc(F)ncc3F)C2)c1 ZINC000824153747 1131457511 /nfs/dbraw/zinc/45/75/11/1131457511.db2.gz UMEWCSBCMDMJAJ-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN CN(Cc1cscn1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171049217 1131458259 /nfs/dbraw/zinc/45/82/59/1131458259.db2.gz HGWQIPSTOJLIFK-ZDUSSCGKSA-N 0 1 292.835 3.786 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@]2(C)CC2(Cl)Cl)c(C)s1 ZINC000824765282 1131482736 /nfs/dbraw/zinc/48/27/36/1131482736.db2.gz JCXRIFMOERLQMP-RDDDGLTNSA-N 0 1 293.263 3.994 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(C)cc1N ZINC001160338600 1131460712 /nfs/dbraw/zinc/46/07/12/1131460712.db2.gz UIGSRNWZNUQJTP-UHFFFAOYSA-N 0 1 279.343 3.878 20 0 CHADMN F[C@H]1C[C@@H]2C[C@H]1CN2Cc1cc2c(cccc2Cl)[nH]1 ZINC001136863763 1131465786 /nfs/dbraw/zinc/46/57/86/1131465786.db2.gz PWUHWLORPNIFEW-CHIMOYNISA-N 0 1 278.758 3.754 20 0 CHADMN Cc1ncccc1C[N@@H+](C)Cc1ccc2ncccc2c1 ZINC001138112422 1131467104 /nfs/dbraw/zinc/46/71/04/1131467104.db2.gz JESLVOLTUVMLCR-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Cc1ncccc1CN(C)Cc1ccc2ncccc2c1 ZINC001138112422 1131467108 /nfs/dbraw/zinc/46/71/08/1131467108.db2.gz JESLVOLTUVMLCR-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@@](C)(F)CC2)c1F ZINC001138114683 1131467810 /nfs/dbraw/zinc/46/78/10/1131467810.db2.gz HCGIWRICWNBUMT-OAHLLOKOSA-N 0 1 271.326 3.987 20 0 CHADMN CC(=O)c1ccc([C@H](C)Nc2ccc3nc[nH]c3c2)cc1 ZINC001171055819 1131468356 /nfs/dbraw/zinc/46/83/56/1131468356.db2.gz ONENCXJEFHNRNW-NSHDSACASA-N 0 1 279.343 3.939 20 0 CHADMN C[C@@]1(F)CCCN(Cc2nccc3ccccc32)C1 ZINC000824472852 1131470044 /nfs/dbraw/zinc/47/00/44/1131470044.db2.gz ZSJDZXWRXJFYMX-MRXNPFEDSA-N 0 1 258.340 3.559 20 0 CHADMN CC(C)N(Cc1cc(O)ccc1Br)C(C)C ZINC001138142436 1131470883 /nfs/dbraw/zinc/47/08/83/1131470883.db2.gz XXJHDCWSCIHJOT-UHFFFAOYSA-N 0 1 286.213 3.774 20 0 CHADMN CC(=O)c1ccc([C@H](C)Nc2ccnc3c2ccn3C)cc1 ZINC001171056662 1131471443 /nfs/dbraw/zinc/47/14/43/1131471443.db2.gz YVLLTRLICIRZOP-LBPRGKRZSA-N 0 1 293.370 3.949 20 0 CHADMN C[C@H]1CN(Cc2ccc(N3CCCCC3)o2)CCC1(F)F ZINC001138172025 1131474614 /nfs/dbraw/zinc/47/46/14/1131474614.db2.gz IQJDKUGGZPQHHC-ZDUSSCGKSA-N 0 1 298.377 3.747 20 0 CHADMN FC1(F)CCCN(Cc2ccc(N3CCCCC3)o2)CC1 ZINC001138172026 1131474935 /nfs/dbraw/zinc/47/49/35/1131474935.db2.gz IUCDAEQMEBYJGS-UHFFFAOYSA-N 0 1 298.377 3.891 20 0 CHADMN CC[C@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)C1 ZINC001138244798 1131481389 /nfs/dbraw/zinc/48/13/89/1131481389.db2.gz KBCYMABHTRHQAO-NSHDSACASA-N 0 1 281.783 3.691 20 0 CHADMN Cc1cccc(C)c1CN1CC[C@](C)(F)[C@@H](F)C1 ZINC001137847799 1131482007 /nfs/dbraw/zinc/48/20/07/1131482007.db2.gz GAOYYENNXDPKRY-GJZGRUSLSA-N 0 1 253.336 3.575 20 0 CHADMN C[C@]1(CNCc2ccnc(Cl)c2F)CC1(Cl)Cl ZINC000824780347 1131484183 /nfs/dbraw/zinc/48/41/83/1131484183.db2.gz LOTFSZVAUZTTCM-SNVBAGLBSA-N 0 1 297.588 3.548 20 0 CHADMN CN1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC001138282063 1131486198 /nfs/dbraw/zinc/48/61/98/1131486198.db2.gz ZYOHIJAXCFGSMG-ARFHVFGLSA-N 0 1 294.483 3.582 20 0 CHADMN C[C@H]1CCN(Cc2nc3ccccc3s2)[C@@H](C)C1 ZINC001136955123 1131486969 /nfs/dbraw/zinc/48/69/69/1131486969.db2.gz WNVBTPZLWKOWES-RYUDHWBXSA-N 0 1 260.406 3.917 20 0 CHADMN Cc1cccn2c(CN3CCC(F)(F)C(C)(C)C3)cnc12 ZINC001136959829 1131488576 /nfs/dbraw/zinc/48/85/76/1131488576.db2.gz WAVNQBZETNCLMA-UHFFFAOYSA-N 0 1 293.361 3.510 20 0 CHADMN Cc1cc(CN2C[C@H](C3CC3)[C@H]2C2CC2)cnc1Cl ZINC000824940923 1131490264 /nfs/dbraw/zinc/49/02/64/1131490264.db2.gz FWXIHJRKMSSUTG-HUUCEWRRSA-N 0 1 276.811 3.664 20 0 CHADMN Cc1ccc2c(CN3CCOc4ccccc4C3)c[nH]c2c1 ZINC001136972849 1131493676 /nfs/dbraw/zinc/49/36/76/1131493676.db2.gz BSCQVTCHAMVYPJ-UHFFFAOYSA-N 0 1 292.382 3.871 20 0 CHADMN CCc1cccc2c(CN3CCc4cccnc4C3)c[nH]c21 ZINC001138366191 1131494591 /nfs/dbraw/zinc/49/45/91/1131494591.db2.gz SGVAIABHZFZDBH-UHFFFAOYSA-N 0 1 291.398 3.684 20 0 CHADMN CCc1cccc2c(CN3CCO[C@@H](C(C)C)C3)c[nH]c21 ZINC001138363174 1131494923 /nfs/dbraw/zinc/49/49/23/1131494923.db2.gz FPWDHCRPLSLGOY-QGZVFWFLSA-N 0 1 286.419 3.587 20 0 CHADMN COc1cccc(F)c1CN1CCC(C(C)C)CC1 ZINC001138385403 1131497078 /nfs/dbraw/zinc/49/70/78/1131497078.db2.gz PLRYPJNCEQFBLG-UHFFFAOYSA-N 0 1 265.372 3.702 20 0 CHADMN CCc1nc(CNCCCc2c(F)cccc2Cl)co1 ZINC000825061757 1131497217 /nfs/dbraw/zinc/49/72/17/1131497217.db2.gz JMISBPONYVMLEV-UHFFFAOYSA-N 0 1 296.773 3.752 20 0 CHADMN CCOCOc1ccc(CNc2ccc3c(n2)CCC3)cc1 ZINC000825124290 1131500117 /nfs/dbraw/zinc/50/01/17/1131500117.db2.gz MCOHTMYJOJHCKT-UHFFFAOYSA-N 0 1 298.386 3.555 20 0 CHADMN CCOc1ccc(CN2CCC[C@H]2c2cnccn2)c(C)c1 ZINC001138434207 1131504572 /nfs/dbraw/zinc/50/45/72/1131504572.db2.gz NVNHCBLCFPXYEU-SFHVURJKSA-N 0 1 297.402 3.521 20 0 CHADMN CCOc1ccc(C[N@@H+](C)Cc2ccc(C)nc2)c(C)c1 ZINC001138437256 1131506114 /nfs/dbraw/zinc/50/61/14/1131506114.db2.gz SUWJPALEQWCMQL-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc(C)nc2)c(C)c1 ZINC001138437256 1131506116 /nfs/dbraw/zinc/50/61/16/1131506116.db2.gz SUWJPALEQWCMQL-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN CC[C@@H]1COCCN1Cc1sc2ccccc2c1C ZINC001138462930 1131509083 /nfs/dbraw/zinc/50/90/83/1131509083.db2.gz CBTJGGIDLFJWJM-CYBMUJFWSA-N 0 1 275.417 3.821 20 0 CHADMN COc1ccc(CN2CCC[C@@H](CF)C2)cc1Cl ZINC001138474888 1131510166 /nfs/dbraw/zinc/51/01/66/1131510166.db2.gz QSZUGYHDOVUKLM-LBPRGKRZSA-N 0 1 271.763 3.530 20 0 CHADMN COc1ccc(CN2CCC(c3cccs3)CC2)cn1 ZINC001137036485 1131512439 /nfs/dbraw/zinc/51/24/39/1131512439.db2.gz QVJDKZHHGWMTQU-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN CC(C)[C@H]1CCC[C@@H](NC(=O)c2n[nH]c3ccccc32)CC1 ZINC001138506720 1131513367 /nfs/dbraw/zinc/51/33/67/1131513367.db2.gz ADXRVRQYUNKURA-UONOGXRCSA-N 0 1 299.418 3.898 20 0 CHADMN COc1ccc2[nH]cc(CN(C)Cc3ccc(C)nc3)c2c1 ZINC001138511726 1131515316 /nfs/dbraw/zinc/51/53/16/1131515316.db2.gz JMBLEFGLMWXIIP-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN COc1ccc(-c2ccc(CN3CCOC[C@H]3C)cc2)cc1 ZINC001138515092 1131515772 /nfs/dbraw/zinc/51/57/72/1131515772.db2.gz KAMMIQQFMNDDSU-OAHLLOKOSA-N 0 1 297.398 3.583 20 0 CHADMN O=C(/C=C\C1CCCC1)Nc1cccc(Cl)c1O ZINC000843844058 1131518828 /nfs/dbraw/zinc/51/88/28/1131518828.db2.gz WKCIGWBXYQQUGZ-HJWRWDBZSA-N 0 1 265.740 3.731 20 0 CHADMN CC[C@H](C)CC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831892977 1131519027 /nfs/dbraw/zinc/51/90/27/1131519027.db2.gz SVLOBYIDJVRTPJ-UONOGXRCSA-N 0 1 291.439 3.675 20 0 CHADMN COc1ccc(CN2CC[C@@H](C)C2)cc1C(F)(F)F ZINC001143637033 1131520017 /nfs/dbraw/zinc/52/00/17/1131520017.db2.gz XBIXURYABSTEGD-SNVBAGLBSA-N 0 1 273.298 3.556 20 0 CHADMN CC(C)CCC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831917853 1131520063 /nfs/dbraw/zinc/52/00/63/1131520063.db2.gz FUDXFMCOOMTAEU-CQSZACIVSA-N 0 1 291.439 3.675 20 0 CHADMN CCCC1CCN(Cc2cncn2Cc2ccccc2)CC1 ZINC001138565627 1131521020 /nfs/dbraw/zinc/52/10/20/1131521020.db2.gz OTEVEGVLEAVNEK-UHFFFAOYSA-N 0 1 297.446 3.944 20 0 CHADMN CCO[C@@H]1CCN(Cc2cc(C)ccc2C(F)(F)F)C1 ZINC001143680431 1131523907 /nfs/dbraw/zinc/52/39/07/1131523907.db2.gz BJBQGDQLHMPFDP-CYBMUJFWSA-N 0 1 287.325 3.625 20 0 CHADMN CCN(Cc1ccncc1)Cc1ccccc1N1CCCC1 ZINC001138610094 1131525420 /nfs/dbraw/zinc/52/54/20/1131525420.db2.gz INKFHVUEWINZLU-UHFFFAOYSA-N 0 1 295.430 3.704 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2C)C1 ZINC001143767742 1131530857 /nfs/dbraw/zinc/53/08/57/1131530857.db2.gz JWVDRAKAQVSWGZ-LBPRGKRZSA-N 0 1 253.336 3.895 20 0 CHADMN COC(=O)c1cccc([C@@H](C)Nc2nccc(C)c2C)c1 ZINC001171104360 1131532233 /nfs/dbraw/zinc/53/22/33/1131532233.db2.gz XQHKFJOAQJQCGJ-CYBMUJFWSA-N 0 1 284.359 3.658 20 0 CHADMN Cc1ccc2c(ccnc2N[C@H](C)c2ncc(F)cn2)c1 ZINC001171109517 1131536137 /nfs/dbraw/zinc/53/61/37/1131536137.db2.gz IQAADKMSQLIYHA-LLVKDONJSA-N 0 1 282.322 3.645 20 0 CHADMN COc1c(F)cc(CN2CCCC2(C)C)cc1Cl ZINC001143840190 1131538073 /nfs/dbraw/zinc/53/80/73/1131538073.db2.gz VDZKQROXGSHHDI-UHFFFAOYSA-N 0 1 271.763 3.862 20 0 CHADMN Clc1[nH]c2ccccc2c1CN1CC(c2cccnc2)C1 ZINC001138688822 1131538577 /nfs/dbraw/zinc/53/85/77/1131538577.db2.gz KCIURUJJRJTNEW-UHFFFAOYSA-N 0 1 297.789 3.816 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](C)Cc1cnc(SC)nc1 ZINC001138709889 1131539375 /nfs/dbraw/zinc/53/93/75/1131539375.db2.gz STTOFRWRGTXBOO-HNNXBMFYSA-N 0 1 287.432 3.782 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1cnc(SC)nc1 ZINC001138709889 1131539377 /nfs/dbraw/zinc/53/93/77/1131539377.db2.gz STTOFRWRGTXBOO-HNNXBMFYSA-N 0 1 287.432 3.782 20 0 CHADMN FC(F)(F)C1CCN(Cc2ccc3c(c2)CCCO3)CC1 ZINC001138714533 1131540702 /nfs/dbraw/zinc/54/07/02/1131540702.db2.gz RGDNUTDZPNHYRO-UHFFFAOYSA-N 0 1 299.336 3.786 20 0 CHADMN COc1cc(C)c(CN2CCc3occc3C2)c(C)c1C ZINC001138724923 1131542519 /nfs/dbraw/zinc/54/25/19/1131542519.db2.gz MQYSKDBZBRXRJF-UHFFFAOYSA-N 0 1 285.387 3.772 20 0 CHADMN COc1cc(C)c(CN(C)Cc2cncs2)c(C)c1C ZINC001138727395 1131543001 /nfs/dbraw/zinc/54/30/01/1131543001.db2.gz NYPGPPNQGXOKGB-UHFFFAOYSA-N 0 1 290.432 3.709 20 0 CHADMN COc1cc(Cl)cc(CN2C[C@H](C)C[C@H](C)C2)c1OC ZINC001138746361 1131544676 /nfs/dbraw/zinc/54/46/76/1131544676.db2.gz ZOYVXMPDVUAVPO-TXEJJXNPSA-N 0 1 297.826 3.835 20 0 CHADMN O[C@@H](CN1CC2(CCC2)[C@H]1c1ccco1)c1ccccc1 ZINC000832226725 1131548253 /nfs/dbraw/zinc/54/82/53/1131548253.db2.gz YLTSWHYSPVHATA-DOTOQJQBSA-N 0 1 283.371 3.540 20 0 CHADMN COc1ccc(CN2CCC3(CCC3)CC2)c(F)c1F ZINC001143903211 1131550093 /nfs/dbraw/zinc/55/00/93/1131550093.db2.gz BSTAAPWFUPGBNY-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN Fc1cccc([C@@H]2CCCN2Cc2cccc3ccnn32)c1 ZINC001138806516 1131550752 /nfs/dbraw/zinc/55/07/52/1131550752.db2.gz MZEHHFNJJILEQP-SFHVURJKSA-N 0 1 295.361 3.811 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc3ccnn32)cc1C ZINC001138805913 1131551253 /nfs/dbraw/zinc/55/12/53/1131551253.db2.gz DZYVDPABIGCVEI-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN Cc1nnsc1CN[C@@H](C)c1csc2ccccc12 ZINC000844319924 1131551308 /nfs/dbraw/zinc/55/13/08/1131551308.db2.gz VTCGUQZUQAQQJF-VIFPVBQESA-N 0 1 289.429 3.912 20 0 CHADMN CCCN(Cc1c(F)ccc(OCC)c1F)CC1CC1 ZINC001143929255 1131552309 /nfs/dbraw/zinc/55/23/09/1131552309.db2.gz GBHHJVIKKWKSQQ-UHFFFAOYSA-N 0 1 283.362 3.986 20 0 CHADMN COc1ccc(CN2CCC(C(C)C)CC2)c(F)c1F ZINC001143914915 1131554054 /nfs/dbraw/zinc/55/40/54/1131554054.db2.gz MFOFZXCWEAANLJ-UHFFFAOYSA-N 0 1 283.362 3.841 20 0 CHADMN Cc1cc(CN2CCC[C@H](CCc3ccccc3)C2)nn1C ZINC001138831599 1131554134 /nfs/dbraw/zinc/55/41/34/1131554134.db2.gz NMMQAVJXRFMNIH-GOSISDBHSA-N 0 1 297.446 3.573 20 0 CHADMN Cc1ccc2cc(CN3C[C@@H]4C[C@@H]4C3)c(Cl)nc2c1 ZINC001138861044 1131555498 /nfs/dbraw/zinc/55/54/98/1131555498.db2.gz SCIZLWJGVIBCJV-BETUJISGSA-N 0 1 272.779 3.648 20 0 CHADMN Cc1c(CN2C[C@@H]3C[C@H]2C[C@H]3F)cccc1C(F)(F)F ZINC001143924764 1131556290 /nfs/dbraw/zinc/55/62/90/1131556290.db2.gz MIUIQRWHCPZEEU-SGMGOOAPSA-N 0 1 287.300 3.946 20 0 CHADMN CCOc1ccc(F)c(CN2CCC[C@H](C)CC2)c1F ZINC001143930253 1131558276 /nfs/dbraw/zinc/55/82/76/1131558276.db2.gz DDFQHTOOFHXKJJ-LBPRGKRZSA-N 0 1 283.362 3.986 20 0 CHADMN CCOc1ccc(F)c(CN2CCC[C@@H](C)CC2)c1F ZINC001143930220 1131558317 /nfs/dbraw/zinc/55/83/17/1131558317.db2.gz DDFQHTOOFHXKJJ-GFCCVEGCSA-N 0 1 283.362 3.986 20 0 CHADMN CCc1ccc(-c2n[nH]c(SC3CCC3)n2)cc1 ZINC001324884459 1131559302 /nfs/dbraw/zinc/55/93/02/1131559302.db2.gz OUDFUHQQMFJBCN-UHFFFAOYSA-N 0 1 259.378 3.679 20 0 CHADMN COc1ccc(F)c(CN2CC[C@@H]3CCC[C@H]3C2)c1F ZINC001143967599 1131560935 /nfs/dbraw/zinc/56/09/35/1131560935.db2.gz JZPRCGBTMZUTBA-RYUDHWBXSA-N 0 1 281.346 3.595 20 0 CHADMN CCN1[C@H](C)CN(C(=O)C(C)(C)C2CCCCC2)C[C@@H]1C ZINC001143983066 1131562255 /nfs/dbraw/zinc/56/22/55/1131562255.db2.gz XLYRXWSLXTUWOH-GASCZTMLSA-N 0 1 294.483 3.534 20 0 CHADMN C[C@@H](c1ccccc1Cl)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844456045 1131562697 /nfs/dbraw/zinc/56/26/97/1131562697.db2.gz XSBKQZHPYNZVOR-INTQDDNPSA-N 0 1 257.711 3.598 20 0 CHADMN CCCCOc1cccc(CN(C)Cc2ccncc2)c1 ZINC001138952048 1131563001 /nfs/dbraw/zinc/56/30/01/1131563001.db2.gz HQZFLTJIGBICBC-UHFFFAOYSA-N 0 1 284.403 3.893 20 0 CHADMN COc1ccc(F)c(CN2CCC3(CCCC3)C2)c1F ZINC001143978643 1131564707 /nfs/dbraw/zinc/56/47/07/1131564707.db2.gz QSJSGTUHDCNEQG-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN CC(C)Oc1ccc(Cl)cc1CN1C[C@@H]2C[C@@H]2C1 ZINC001138957569 1131564958 /nfs/dbraw/zinc/56/49/58/1131564958.db2.gz BQZBHBIWXLYRNA-TXEJJXNPSA-N 0 1 265.784 3.579 20 0 CHADMN CCC(=O)Oc1ccc(CN2CCCC[C@@](C)(F)C2)cc1 ZINC001138962506 1131565750 /nfs/dbraw/zinc/56/57/50/1131565750.db2.gz PTCJZTSYBDLALJ-QGZVFWFLSA-N 0 1 293.382 3.716 20 0 CHADMN COc1ccc(Cl)c2c1CCC[C@@H]2N(C)CCC(C)=O ZINC000844443074 1131566751 /nfs/dbraw/zinc/56/67/51/1131566751.db2.gz INXWSPBMOAVSBK-AWEZNQCLSA-N 0 1 295.810 3.637 20 0 CHADMN FC1(F)[C@H]2CN(C/C=C/c3ccc(Cl)cc3)C[C@H]21 ZINC000844460948 1131567957 /nfs/dbraw/zinc/56/79/57/1131567957.db2.gz YOQFDWSVHQYENR-DQOPJHAQSA-N 0 1 269.722 3.550 20 0 CHADMN C[C@H]1CCC(C)(C)N1Cc1ccnc(Br)c1 ZINC000832565536 1131568127 /nfs/dbraw/zinc/56/81/27/1131568127.db2.gz UTTKSFSKOFUBTJ-JTQLQIEISA-N 0 1 283.213 3.607 20 0 CHADMN CCOc1c(F)cc(CN2CCC3(CCC3)C2)cc1F ZINC001144031008 1131570272 /nfs/dbraw/zinc/57/02/72/1131570272.db2.gz WOPGCYMBZYUJBO-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CCC(C)(OC)CC1 ZINC001139006472 1131571260 /nfs/dbraw/zinc/57/12/60/1131571260.db2.gz UOOBBGJDYQHVSO-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN C[C@H](NCc1nnc(C(C)(C)C)o1)[C@@H]1CCC[C@H](C)C1 ZINC000832691245 1131576666 /nfs/dbraw/zinc/57/66/66/1131576666.db2.gz ODKCXOQOBMSVCZ-RWMBFGLXSA-N 0 1 279.428 3.672 20 0 CHADMN CO[C@@H](C)C1CN(Cc2ccccc2Oc2ccccc2)C1 ZINC001139054799 1131577460 /nfs/dbraw/zinc/57/74/60/1131577460.db2.gz DSHOIKITGNZANF-HNNXBMFYSA-N 0 1 297.398 3.946 20 0 CHADMN c1c2ccccc2oc1CN1CCC[C@@H]1c1cnccn1 ZINC001139065612 1131578238 /nfs/dbraw/zinc/57/82/38/1131578238.db2.gz HFOKCSBWZQXGJE-MRXNPFEDSA-N 0 1 279.343 3.560 20 0 CHADMN CN(Cc1ccc(Br)nc1Cl)C(C)(C)C ZINC001139114038 1131582556 /nfs/dbraw/zinc/58/25/56/1131582556.db2.gz XXUWCOJHQFKXSJ-UHFFFAOYSA-N 0 1 291.620 3.728 20 0 CHADMN CCn1ccc2ccc(CN3CCc4cccnc4C3)cc21 ZINC001139123699 1131584790 /nfs/dbraw/zinc/58/47/90/1131584790.db2.gz BLFSXCXLARLWLM-UHFFFAOYSA-N 0 1 291.398 3.615 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1cccc(O)c1C ZINC001144117597 1131585965 /nfs/dbraw/zinc/58/59/65/1131585965.db2.gz IONBYGXNISJKEA-CQSZACIVSA-N 0 1 285.387 3.902 20 0 CHADMN CCn1ccc2c1cccc2CN1CCO[C@H](C(C)C)C1 ZINC001139155315 1131587959 /nfs/dbraw/zinc/58/79/59/1131587959.db2.gz LRDBXQKTSSYILQ-SFHVURJKSA-N 0 1 286.419 3.518 20 0 CHADMN CCn1ccc2c1cccc2C[N@H+]1CCc2occc2C1 ZINC001139159053 1131589318 /nfs/dbraw/zinc/58/93/18/1131589318.db2.gz UZDWAJFEHCZSFW-UHFFFAOYSA-N 0 1 280.371 3.813 20 0 CHADMN CCn1ccc2c1cccc2CN1CCc2occc2C1 ZINC001139159053 1131589322 /nfs/dbraw/zinc/58/93/22/1131589322.db2.gz UZDWAJFEHCZSFW-UHFFFAOYSA-N 0 1 280.371 3.813 20 0 CHADMN Cc1ncccc1CN(C)Cc1ccc2cccnc2c1 ZINC001139171000 1131591697 /nfs/dbraw/zinc/59/16/97/1131591697.db2.gz LUEILUBVDRARHI-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN c1c2cnccc2oc1CNc1cc2c(cn1)CCCC2 ZINC000844701028 1131594854 /nfs/dbraw/zinc/59/48/54/1131594854.db2.gz DTBDHNYUSPAGNR-UHFFFAOYSA-N 0 1 279.343 3.714 20 0 CHADMN Cc1cccc2c1CCN(Cc1[nH]nc3ccc(F)cc31)C2 ZINC001144191449 1131595521 /nfs/dbraw/zinc/59/55/21/1131595521.db2.gz NGMIOYLIVPWSSZ-UHFFFAOYSA-N 0 1 295.361 3.569 20 0 CHADMN Cn1ccc2ccc(CN3CCC(=O)[C@@H]4CCCC[C@H]43)cc21 ZINC001139204236 1131595793 /nfs/dbraw/zinc/59/57/93/1131595793.db2.gz LKEMEHRTDGNGPB-IAGOWNOFSA-N 0 1 296.414 3.512 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2ccc3nsnc3c2)cc1 ZINC001139212047 1131597281 /nfs/dbraw/zinc/59/72/81/1131597281.db2.gz AFDUNWXWCPMWEW-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2ccc3nsnc3c2)cc1 ZINC001139212605 1131597690 /nfs/dbraw/zinc/59/76/90/1131597690.db2.gz WMHVQLBGHWYYIS-UHFFFAOYSA-N 0 1 297.427 3.886 20 0 CHADMN FC1(F)CC2(CN(Cc3ccc(-n4cccc4)cc3)C2)C1 ZINC001144238804 1131600093 /nfs/dbraw/zinc/60/00/93/1131600093.db2.gz WJVWBBMZVZSALU-UHFFFAOYSA-N 0 1 288.341 3.708 20 0 CHADMN CN(Cc1ccc(-n2cccc2)cc1)Cc1ccccn1 ZINC001144238487 1131600139 /nfs/dbraw/zinc/60/01/39/1131600139.db2.gz RCBHTBHGAPTVNP-UHFFFAOYSA-N 0 1 277.371 3.504 20 0 CHADMN C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc2cc(O)ccc2c1 ZINC001139339606 1131602359 /nfs/dbraw/zinc/60/23/59/1131602359.db2.gz ANPYMUABSOHTJN-AWEZNQCLSA-N 0 1 292.382 3.924 20 0 CHADMN C[C@H]1c2cccn2CCN1Cc1ccc2cc(O)ccc2c1 ZINC001139339606 1131602362 /nfs/dbraw/zinc/60/23/62/1131602362.db2.gz ANPYMUABSOHTJN-AWEZNQCLSA-N 0 1 292.382 3.924 20 0 CHADMN c1ccc2c(c1)CN(Cc1ccc(-c3cnccn3)cc1)C2 ZINC001139388918 1131606061 /nfs/dbraw/zinc/60/60/61/1131606061.db2.gz PFMLPIGFINTORJ-UHFFFAOYSA-N 0 1 287.366 3.659 20 0 CHADMN Cc1ccc(C[N@@H+](C)Cc2ccc(-n3cccc3)cc2)cn1 ZINC001144252473 1131607448 /nfs/dbraw/zinc/60/74/48/1131607448.db2.gz OTQHUDFURRKMLE-UHFFFAOYSA-N 0 1 291.398 3.813 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(-n3cccc3)cc2)cn1 ZINC001144252473 1131607449 /nfs/dbraw/zinc/60/74/49/1131607449.db2.gz OTQHUDFURRKMLE-UHFFFAOYSA-N 0 1 291.398 3.813 20 0 CHADMN CC(C)(C)[N@@H+](Cc1ccccc1)Cc1ccc(O)cn1 ZINC001144253374 1131607682 /nfs/dbraw/zinc/60/76/82/1131607682.db2.gz USOOEOUHQZGFFE-UHFFFAOYSA-N 0 1 270.376 3.588 20 0 CHADMN O=c1ccc(CN2CCC[C@H]2c2ccccc2Cl)c[nH]1 ZINC001139468453 1131609403 /nfs/dbraw/zinc/60/94/03/1131609403.db2.gz BWCQTWBEVZNOQV-HNNXBMFYSA-N 0 1 288.778 3.778 20 0 CHADMN CC(=O)[C@H]1CCCN(Cc2ccc(-c3ccccc3)nc2)C1 ZINC001139519277 1131612366 /nfs/dbraw/zinc/61/23/66/1131612366.db2.gz QKTNJMFAPYOCHP-SFHVURJKSA-N 0 1 294.398 3.550 20 0 CHADMN FC(F)(F)[C@@H]1CCCN1Cc1cnc(-c2ccccc2)[nH]1 ZINC001139553264 1131615888 /nfs/dbraw/zinc/61/58/88/1131615888.db2.gz RRJBJPFADNQUFL-ZDUSSCGKSA-N 0 1 295.308 3.603 20 0 CHADMN COc1ccc(CN(C)C2CC2)c(OCc2ccccc2)c1 ZINC001139558482 1131616239 /nfs/dbraw/zinc/61/62/39/1131616239.db2.gz OJQHBAVVPKBRBG-UHFFFAOYSA-N 0 1 297.398 3.868 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cc(Cl)ccn1 ZINC001139566271 1131616416 /nfs/dbraw/zinc/61/64/16/1131616416.db2.gz VLEINTOWNODYDB-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN Clc1ccnc(CN2CCC[C@H](c3ccccn3)C2)c1 ZINC001139563271 1131616941 /nfs/dbraw/zinc/61/69/41/1131616941.db2.gz FRLFTVAPHNWNKL-ZDUSSCGKSA-N 0 1 287.794 3.510 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(C)cnc1Cl ZINC001139590860 1131618300 /nfs/dbraw/zinc/61/83/00/1131618300.db2.gz BMSSSLVBOMUXSO-CYBMUJFWSA-N 0 1 252.789 3.808 20 0 CHADMN Cc1cnc(Cl)c(CN2[C@H](C)CCC[C@@H]2C)c1 ZINC001139587636 1131618215 /nfs/dbraw/zinc/61/82/15/1131618215.db2.gz BCQRBJAEAVOXQS-TXEJJXNPSA-N 0 1 252.789 3.806 20 0 CHADMN Cc1cnc(Cl)c(CN2CCC(C)(C)CC2)c1 ZINC001139590257 1131618635 /nfs/dbraw/zinc/61/86/35/1131618635.db2.gz QQXQCFZGOIFUHN-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN Cc1cnc(Cl)c(CN(C)C[C@@H]2CC2(C)C)c1 ZINC001139596426 1131619847 /nfs/dbraw/zinc/61/98/47/1131619847.db2.gz ZTCATQCZXWDZNO-LBPRGKRZSA-N 0 1 252.789 3.521 20 0 CHADMN CN(Cc1ccc(-c2cccnc2)cc1)Cc1cccnc1 ZINC001139639272 1131625843 /nfs/dbraw/zinc/62/58/43/1131625843.db2.gz AMRXBDGIBDBYNI-UHFFFAOYSA-N 0 1 289.382 3.776 20 0 CHADMN Cc1nc2cc(C)ccn2c1C[N@H+](C)Cc1cccc(C)c1 ZINC001139674254 1131628135 /nfs/dbraw/zinc/62/81/35/1131628135.db2.gz RHGXPNURJCDVKC-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN Cc1nc2cc(C)ccn2c1CN(C)Cc1cccc(C)c1 ZINC001139674254 1131628138 /nfs/dbraw/zinc/62/81/38/1131628138.db2.gz RHGXPNURJCDVKC-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN CC(C)(C)N(Cc1cn2ccncc2n1)Cc1ccccc1 ZINC001139692592 1131630077 /nfs/dbraw/zinc/63/00/77/1131630077.db2.gz DDPMSSLOXWIALK-UHFFFAOYSA-N 0 1 294.402 3.530 20 0 CHADMN CC[C@H]1CO[C@@](C)(CCC(C)C)[N@H+]1CC1(CC)COC1 ZINC001202962965 1131631393 /nfs/dbraw/zinc/63/13/93/1131631393.db2.gz RXMJOPDWYPTZHZ-HOTGVXAUSA-N 0 1 283.456 3.676 20 0 CHADMN CC[C@H]1CO[C@@](C)(CCC(C)C)N1CC1(CC)COC1 ZINC001202962965 1131631396 /nfs/dbraw/zinc/63/13/96/1131631396.db2.gz RXMJOPDWYPTZHZ-HOTGVXAUSA-N 0 1 283.456 3.676 20 0 CHADMN Cc1cc(O)cc(C)c1CN1CCc2c(F)cccc2C1 ZINC001139716130 1131632497 /nfs/dbraw/zinc/63/24/97/1131632497.db2.gz QJXJVWJLFBCWBX-UHFFFAOYSA-N 0 1 285.362 3.706 20 0 CHADMN COCc1ccc(CN2CCC[C@@H]2c2cccnc2)s1 ZINC001139823754 1131638998 /nfs/dbraw/zinc/63/89/98/1131638998.db2.gz GJCWUUOORRUYRF-MRXNPFEDSA-N 0 1 288.416 3.627 20 0 CHADMN Cc1ccc(CN2CCC(Oc3cccc(C)c3)CC2)nc1 ZINC001139840565 1131641442 /nfs/dbraw/zinc/64/14/42/1131641442.db2.gz YXNQEPBQMJQIQJ-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN Cn1c(CN2CCCC[C@@](C)(F)C2)cc2ccccc21 ZINC001139868842 1131642024 /nfs/dbraw/zinc/64/20/24/1131642024.db2.gz YXXPMRCPSDJLTH-QGZVFWFLSA-N 0 1 274.383 3.892 20 0 CHADMN CN(CCF)Cc1cccc2c3ccccc3oc21 ZINC001139860894 1131642607 /nfs/dbraw/zinc/64/26/07/1131642607.db2.gz KPGDCKSRWJADTJ-UHFFFAOYSA-N 0 1 257.308 3.987 20 0 CHADMN C[N@@H+](Cc1cnc2ccccn12)Cc1ccccc1C1CC1 ZINC001139881232 1131645170 /nfs/dbraw/zinc/64/51/70/1131645170.db2.gz OBEPTAFOZWRRSQ-UHFFFAOYSA-N 0 1 291.398 3.844 20 0 CHADMN CN(Cc1cnc2ccccn12)Cc1ccccc1C1CC1 ZINC001139881232 1131645175 /nfs/dbraw/zinc/64/51/75/1131645175.db2.gz OBEPTAFOZWRRSQ-UHFFFAOYSA-N 0 1 291.398 3.844 20 0 CHADMN COc1cc(Cl)cc(CN2CCC(SC)CC2)c1 ZINC001144488028 1131645247 /nfs/dbraw/zinc/64/52/47/1131645247.db2.gz AGOAGPSMMSQGMF-UHFFFAOYSA-N 0 1 285.840 3.676 20 0 CHADMN Fc1ccc(CN2CCc3ccncc3C2)c2ccccc12 ZINC001139892699 1131649283 /nfs/dbraw/zinc/64/92/83/1131649283.db2.gz ULSYSHAQZHCOSJ-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN CCc1ccccc1CN[C@H]1CCOc2c(OC)cccc21 ZINC001202987205 1131653137 /nfs/dbraw/zinc/65/31/37/1131653137.db2.gz VTHJYRHADNFAKG-KRWDZBQOSA-N 0 1 297.398 3.871 20 0 CHADMN CSc1ccccc1[C@@H]1CCCN1Cc1ccnnc1 ZINC001139985795 1131653759 /nfs/dbraw/zinc/65/37/59/1131653759.db2.gz YBCJGKVNIFELSW-HNNXBMFYSA-N 0 1 285.416 3.536 20 0 CHADMN FC(F)(F)[C@@H]1CCN(Cc2cc3ccccc3cn2)C1 ZINC001139999054 1131655663 /nfs/dbraw/zinc/65/56/63/1131655663.db2.gz OMKZJBLEGINWBI-CYBMUJFWSA-N 0 1 280.293 3.619 20 0 CHADMN CSc1nccc(CN2CCC[C@H]2c2ccccc2C)n1 ZINC001140034708 1131658214 /nfs/dbraw/zinc/65/82/14/1131658214.db2.gz SDWNMKUJKPNFDS-INIZCTEOSA-N 0 1 299.443 3.844 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC001140051911 1131658335 /nfs/dbraw/zinc/65/83/35/1131658335.db2.gz XWSGJKOSVGHQLT-ZDUSSCGKSA-N 0 1 289.325 3.660 20 0 CHADMN COc1c(Cl)cccc1C[N@H+]1CCCC[C@@H](C)C1 ZINC001140056668 1131659576 /nfs/dbraw/zinc/65/95/76/1131659576.db2.gz GOKVBFSAHRHMDI-GFCCVEGCSA-N 0 1 267.800 3.971 20 0 CHADMN COc1c(Cl)cccc1CN1CC[C@@]2(CC2(F)F)C1 ZINC001140067448 1131660918 /nfs/dbraw/zinc/66/09/18/1131660918.db2.gz JFMSARUDAXQICZ-CYBMUJFWSA-N 0 1 287.737 3.580 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(O)cc2Cl)CCC1(F)F ZINC001140081529 1131661464 /nfs/dbraw/zinc/66/14/64/1131661464.db2.gz TWPNQDXNTIRZPL-SNVBAGLBSA-N 0 1 289.753 3.913 20 0 CHADMN CC1(C)CN(Cc2cnc(-c3ccc(F)cc3)s2)C1 ZINC001140093282 1131662745 /nfs/dbraw/zinc/66/27/45/1131662745.db2.gz YSQVSQGLRWPVGE-UHFFFAOYSA-N 0 1 276.380 3.791 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(C(F)(F)F)ccn2)[C@H]1C ZINC001140106264 1131664480 /nfs/dbraw/zinc/66/44/80/1131664480.db2.gz CZMYIAUJBBXVOS-MNOVXSKESA-N 0 1 272.314 3.721 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1ncn2ccccc12 ZINC001144624932 1131667580 /nfs/dbraw/zinc/66/75/80/1131667580.db2.gz WHNVLNUXNGWEFA-QGZVFWFLSA-N 0 1 279.387 3.917 20 0 CHADMN O=C(Nc1cccc(-c2ccccc2)c1)c1ncccc1O ZINC001140151735 1131668372 /nfs/dbraw/zinc/66/83/72/1131668372.db2.gz KUDSTBFKIVUBMV-UHFFFAOYSA-N 0 1 290.322 3.707 20 0 CHADMN COc1cc(CN2CCc3cc(C)ccc3C2)ccc1C ZINC001140162422 1131670378 /nfs/dbraw/zinc/67/03/78/1131670378.db2.gz UYMUANXSBDZRLH-UHFFFAOYSA-N 0 1 281.399 3.870 20 0 CHADMN C[N@@H+](CCCc1ccccc1)Cc1cc(F)c([O-])cc1F ZINC001144666737 1131676784 /nfs/dbraw/zinc/67/67/84/1131676784.db2.gz OFALNMBCYQENBP-UHFFFAOYSA-N 0 1 291.341 3.735 20 0 CHADMN CN(Cc1ccsc1)Cc1c[nH]c2cccc(O)c12 ZINC001140234506 1131679592 /nfs/dbraw/zinc/67/95/92/1131679592.db2.gz AULBUADYQMSQDP-UHFFFAOYSA-N 0 1 272.373 3.567 20 0 CHADMN O=C([O-])c1ccsc1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC001144677548 1131680203 /nfs/dbraw/zinc/68/02/03/1131680203.db2.gz UXEHMORLQXOOOO-UHFFFAOYSA-N 0 1 299.395 3.736 20 0 CHADMN Oc1cccc2[nH]cc(CN3CCC[C@@H]3c3cccnc3)c21 ZINC001140231165 1131680249 /nfs/dbraw/zinc/68/02/49/1131680249.db2.gz FKHUGLQXZVSEHL-MRXNPFEDSA-N 0 1 293.370 3.606 20 0 CHADMN O=C([O-])c1ccsc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC001144677978 1131680430 /nfs/dbraw/zinc/68/04/30/1131680430.db2.gz JWGOLWRIHKOHAL-AWEZNQCLSA-N 0 1 287.384 3.783 20 0 CHADMN CC[C@H](NCc1ccc(F)nc1C)c1ccccc1F ZINC000846043420 1131683838 /nfs/dbraw/zinc/68/38/38/1131683838.db2.gz AZPZZEDZJGCPRL-HNNXBMFYSA-N 0 1 276.330 3.909 20 0 CHADMN CCOc1ccc2[nH]cc(CN3CC[C@@H](C)[C@H](F)C3)c2c1 ZINC001140267251 1131685632 /nfs/dbraw/zinc/68/56/32/1131685632.db2.gz CJGXHBGXZVVPKO-MLGOLLRUSA-N 0 1 290.382 3.747 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCCc3nc(C)ncc32)cs1 ZINC000834588386 1131685694 /nfs/dbraw/zinc/68/56/94/1131685694.db2.gz BEYYCBSKNZDYIE-ABAIWWIYSA-N 0 1 287.432 3.883 20 0 CHADMN CCOc1ccc2[nH]cc(CN(C)Cc3ccncc3)c2c1 ZINC001140268266 1131685756 /nfs/dbraw/zinc/68/57/56/1131685756.db2.gz XPAIICYCSDGSOD-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN C[C@@H]1CN(Cc2coc(C3CC3)n2)CCc2ccccc21 ZINC000846067875 1131686805 /nfs/dbraw/zinc/68/68/05/1131686805.db2.gz ZRHGKICQTSPYHN-CYBMUJFWSA-N 0 1 282.387 3.714 20 0 CHADMN CCCC[N@H+](Cc1ccccc1)Cc1ccncc1[O-] ZINC001140278441 1131687295 /nfs/dbraw/zinc/68/72/95/1131687295.db2.gz RUCXJLJKIMUTNG-UHFFFAOYSA-N 0 1 270.376 3.590 20 0 CHADMN CCCC[N@@H+](Cc1ccccc1)Cc1ccncc1[O-] ZINC001140278441 1131687297 /nfs/dbraw/zinc/68/72/97/1131687297.db2.gz RUCXJLJKIMUTNG-UHFFFAOYSA-N 0 1 270.376 3.590 20 0 CHADMN Cc1cc(CN2C[C@H]3[C@@H](C2)C3(F)F)ccc1C(F)(F)F ZINC000846114557 1131688597 /nfs/dbraw/zinc/68/85/97/1131688597.db2.gz VXLPSXQKBDAGRK-TXEJJXNPSA-N 0 1 291.263 3.711 20 0 CHADMN CC[C@@H]1CCCN1Cc1cc(F)c(F)cc1Cl ZINC001144726517 1131692150 /nfs/dbraw/zinc/69/21/50/1131692150.db2.gz MTLLZJZLYNYMBI-SNVBAGLBSA-N 0 1 259.727 3.993 20 0 CHADMN c1cc2c(s1)CN(Cc1ccc3scnc3c1)CC2 ZINC001144739043 1131699323 /nfs/dbraw/zinc/69/93/23/1131699323.db2.gz RBVCODJEQZNWOR-UHFFFAOYSA-N 0 1 286.425 3.916 20 0 CHADMN CCCCC[N@@H+](C/C=C(\C)C(=O)[O-])Cc1ccc(F)cc1 ZINC000846233054 1131701680 /nfs/dbraw/zinc/70/16/80/1131701680.db2.gz WNQABHGIFSHYGK-GXDHUFHOSA-N 0 1 293.382 3.849 20 0 CHADMN O=C([O-])Cc1ccccc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000846235489 1131701699 /nfs/dbraw/zinc/70/16/99/1131701699.db2.gz WUQUXJYSEVZPBR-SFHVURJKSA-N 0 1 295.382 3.651 20 0 CHADMN C/C(=C\C[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000846252250 1131704321 /nfs/dbraw/zinc/70/43/21/1131704321.db2.gz WMKSKZALZPEDBK-OMCKNOPTSA-N 0 1 287.403 3.594 20 0 CHADMN Clc1cccc(C2CCN(Cc3ccncn3)CC2)c1 ZINC001140343021 1131704844 /nfs/dbraw/zinc/70/48/44/1131704844.db2.gz JDISJNQOYBMGMZ-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN CN(Cc1ccsc1)Cc1ccc(-c2cncnc2)cc1 ZINC001140353220 1131705114 /nfs/dbraw/zinc/70/51/14/1131705114.db2.gz CWFNNNRXXHYMRS-UHFFFAOYSA-N 0 1 295.411 3.837 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2ccncn2)cc1C ZINC001140350576 1131705154 /nfs/dbraw/zinc/70/51/54/1131705154.db2.gz NHDYNSCDONLVGR-SFHVURJKSA-N 0 1 281.403 3.821 20 0 CHADMN C/C(=C\C[N@@H+](CC1CCC1)[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000846249112 1131705277 /nfs/dbraw/zinc/70/52/77/1131705277.db2.gz CUBHDRGDAMZJKY-GOFCXVBSSA-N 0 1 287.403 3.881 20 0 CHADMN C/C(=C/C[N@@H+](CC1CCC1)[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000846249118 1131705387 /nfs/dbraw/zinc/70/53/87/1131705387.db2.gz CUBHDRGDAMZJKY-SZGZABIGSA-N 0 1 287.403 3.881 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC000846281565 1131705530 /nfs/dbraw/zinc/70/55/30/1131705530.db2.gz ZSTUNMIHMIXPSC-WMLDXEAASA-N 0 1 289.419 3.570 20 0 CHADMN C/C(=C/C[N@@H+](CC1CCC1)[C@H](C)c1ccccc1)C(=O)[O-] ZINC000846249115 1131705673 /nfs/dbraw/zinc/70/56/73/1131705673.db2.gz CUBHDRGDAMZJKY-QKXCFHHRSA-N 0 1 287.403 3.881 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(-c3ccccn3)cc2)CCC1=O ZINC001140377475 1131708211 /nfs/dbraw/zinc/70/82/11/1131708211.db2.gz YCERTMYRVWUOIV-OAHLLOKOSA-N 0 1 294.398 3.550 20 0 CHADMN C[C@H](N[C@@H]1CCn2ccnc21)c1cc2c(s1)CCCC2 ZINC000834837827 1131710238 /nfs/dbraw/zinc/71/02/38/1131710238.db2.gz ZHLACVUAGDHZCT-WCQYABFASA-N 0 1 287.432 3.619 20 0 CHADMN COc1cc(CN[C@H](C)c2cncs2)ccc1Cl ZINC000834905797 1131729163 /nfs/dbraw/zinc/72/91/63/1131729163.db2.gz UXJFHTYLBPFSPZ-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN FC1CCN(Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001140432502 1131735304 /nfs/dbraw/zinc/73/53/04/1131735304.db2.gz AKWLDEKWCQFCAW-UHFFFAOYSA-N 0 1 266.747 3.755 20 0 CHADMN BrC1(CN(Cc2ccco2)C2CCCC2)CC1 ZINC000846775305 1131737682 /nfs/dbraw/zinc/73/76/82/1131737682.db2.gz KUQBNCBEXWCRMJ-UHFFFAOYSA-N 0 1 298.224 3.952 20 0 CHADMN CC(C)(NCc1cnc(Cl)c(F)c1)c1cccs1 ZINC000846854081 1131752472 /nfs/dbraw/zinc/75/24/72/1131752472.db2.gz BKTMHPTZHXVUQJ-UHFFFAOYSA-N 0 1 284.787 3.961 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN[C@H]1CCS[C@@H]1C ZINC001203040084 1131756187 /nfs/dbraw/zinc/75/61/87/1131756187.db2.gz YSMLJECXKOIPNS-MNOVXSKESA-N 0 1 294.445 3.695 20 0 CHADMN COc1cc(F)cc(CN2CCCc3ccccc3C2)c1 ZINC001140482826 1131761636 /nfs/dbraw/zinc/76/16/36/1131761636.db2.gz CCTQDPLLMPYXGZ-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN COc1ccc(C(C)C)cc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000847013561 1131770948 /nfs/dbraw/zinc/77/09/48/1131770948.db2.gz MOYGLOIWKLBVNJ-OKILXGFUSA-N 0 1 281.346 3.516 20 0 CHADMN CCN(Cc1ccc2c(c1)ncn2C)Cc1ccccc1F ZINC001140508793 1131771998 /nfs/dbraw/zinc/77/19/98/1131771998.db2.gz UYLDCONERCHOTF-UHFFFAOYSA-N 0 1 297.377 3.735 20 0 CHADMN Fc1cc(Cl)cc(CN2C[C@H]3[C@H](CCC3(F)F)C2)c1 ZINC001140537341 1131784334 /nfs/dbraw/zinc/78/43/34/1131784334.db2.gz QSBXMGNVGCKTSC-MFKMUULPSA-N 0 1 289.728 3.956 20 0 CHADMN FC[C@H]1CCCN(Cc2cccc(F)c2Cl)C1 ZINC001140563251 1131794608 /nfs/dbraw/zinc/79/46/08/1131794608.db2.gz RMTNKOMBGRSWJM-SNVBAGLBSA-N 0 1 259.727 3.661 20 0 CHADMN Fc1cccc(CN2CC[C@H](COCC3CC3)C2)c1Cl ZINC001140567745 1131797358 /nfs/dbraw/zinc/79/73/58/1131797358.db2.gz GQPFACAAZPKHSR-ZDUSSCGKSA-N 0 1 297.801 3.728 20 0 CHADMN CC1(C)CCN(C(=O)c2cccc3c[nH]nc32)CC(C)(C)C1 ZINC001146774137 1131797330 /nfs/dbraw/zinc/79/73/30/1131797330.db2.gz XCKPEOAYRHNWDT-UHFFFAOYSA-N 0 1 299.418 3.851 20 0 CHADMN CC[C@H](NCc1noc(-c2ccccc2C)n1)[C@H]1CC1(C)C ZINC001171287817 1131798948 /nfs/dbraw/zinc/79/89/48/1131798948.db2.gz XKAUTHOWDNKQQS-CABCVRRESA-N 0 1 299.418 3.959 20 0 CHADMN Cc1ccc(C(=O)Nc2c(Cl)ccc(O)c2Cl)cn1 ZINC001147168145 1131812865 /nfs/dbraw/zinc/81/28/65/1131812865.db2.gz SUVJRUMTYOPGKI-UHFFFAOYSA-N 0 1 297.141 3.655 20 0 CHADMN Fc1cnc(Cl)cc1CN1CC[C@H](c2ccccc2)C1 ZINC001140605848 1131824829 /nfs/dbraw/zinc/82/48/29/1131824829.db2.gz NCDLAQBQMRDMNC-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN C[C@H]1CCN(Cc2csc3ccccc23)CCC1=O ZINC001140636928 1131837580 /nfs/dbraw/zinc/83/75/80/1131837580.db2.gz VSNGGFAKYWLJAA-LBPRGKRZSA-N 0 1 273.401 3.702 20 0 CHADMN CN(C)c1cc(Cl)cc(Cl)c1CN[C@H]1C=CCC1 ZINC001203055034 1131844384 /nfs/dbraw/zinc/84/43/84/1131844384.db2.gz LBRRVNGGOXDUIA-NSHDSACASA-N 0 1 285.218 3.868 20 0 CHADMN Cc1nc2ccc(O[C@H](C)c3ncccc3F)cc2[nH]1 ZINC001228328436 1131857963 /nfs/dbraw/zinc/85/79/63/1131857963.db2.gz DTXCBZFGSDRFLH-SECBINFHSA-N 0 1 271.295 3.545 20 0 CHADMN CC[C@@H](C)CN(CC)C(=O)[C@@H](c1ccccc1)N(C)CC ZINC001148850546 1131873209 /nfs/dbraw/zinc/87/32/09/1131873209.db2.gz GOZCAQZCXJLVQT-NVXWUHKLSA-N 0 1 290.451 3.574 20 0 CHADMN COC[C@H](NCCc1ccco1)c1cccc(Cl)c1F ZINC000348103894 1131880102 /nfs/dbraw/zinc/88/01/02/1131880102.db2.gz MTGCKHICZHQDSS-AWEZNQCLSA-N 0 1 297.757 3.592 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(CC2CC2)CC2CCC2)[nH]1 ZINC000282746686 1131888024 /nfs/dbraw/zinc/88/80/24/1131888024.db2.gz JSDHVJAOKBUQEL-UHFFFAOYSA-N 0 1 297.402 3.524 20 0 CHADMN CCCC(=O)c1ccc(O[C@@H]2CCC[N@@H+](CC)C2)cc1 ZINC001228465374 1131889264 /nfs/dbraw/zinc/88/92/64/1131889264.db2.gz HRTXEBSSYRJFDM-MRXNPFEDSA-N 0 1 275.392 3.533 20 0 CHADMN Cc1cc(OC2CN(C(C)(C)C)C2)c2cccc(F)c2n1 ZINC001228490315 1131895308 /nfs/dbraw/zinc/89/53/08/1131895308.db2.gz GUTRJRXIFKTFQZ-UHFFFAOYSA-N 0 1 288.366 3.544 20 0 CHADMN CC[C@H](C)Sc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000348175390 1131900624 /nfs/dbraw/zinc/90/06/24/1131900624.db2.gz SQASYJFCQPPWOK-JARNTUPDSA-N 0 1 263.366 3.767 20 0 CHADMN Cc1cc(F)ccc1CN1CCc2ccccc2C1 ZINC001140777016 1131912824 /nfs/dbraw/zinc/91/28/24/1131912824.db2.gz GVRRGHNOPDVEJJ-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN Cc1cc(CN(C)C(c2ccccc2)c2ccccc2)n[nH]1 ZINC001203067629 1131923639 /nfs/dbraw/zinc/92/36/39/1131923639.db2.gz RFJFSZTWOMHGQH-UHFFFAOYSA-N 0 1 291.398 3.940 20 0 CHADMN COc1ccc([C@@H](Oc2ccc3[nH]nnc3c2)C(C)C)cc1 ZINC001228663335 1131930065 /nfs/dbraw/zinc/93/00/65/1131930065.db2.gz AOYUWUMAKCAOGG-KRWDZBQOSA-N 0 1 297.358 3.743 20 0 CHADMN CCC[C@@H](Oc1ccc2[nH]nnc2c1)c1ccc(OC)cc1 ZINC001228662273 1131930464 /nfs/dbraw/zinc/93/04/64/1131930464.db2.gz DZYOOZLAKAPLGE-QGZVFWFLSA-N 0 1 297.358 3.887 20 0 CHADMN c1cc2c3c(cccc3c1)[C@H](Oc1ccc3[nH]nnc3c1)C2 ZINC001228667233 1131931124 /nfs/dbraw/zinc/93/11/24/1131931124.db2.gz LAILERAVLGRBOH-QGZVFWFLSA-N 0 1 287.322 3.787 20 0 CHADMN CC[C@H](C)[N@@H+](C)Cc1cc(Cl)c([O-])c(Cl)c1 ZINC001140833756 1131942198 /nfs/dbraw/zinc/94/21/98/1131942198.db2.gz CWYHCAJBYAFJCC-QMMMGPOBSA-N 0 1 262.180 3.929 20 0 CHADMN C[C@@H]1CCN(Cc2ccn(-c3ccccc3F)n2)[C@H](C)C1 ZINC001171380901 1131942520 /nfs/dbraw/zinc/94/25/20/1131942520.db2.gz GFWCUUIZASDVRA-ZIAGYGMSSA-N 0 1 287.382 3.632 20 0 CHADMN CN(Cc1cccc2cccnc21)Cc1c(N)cccc1F ZINC001140875545 1131954761 /nfs/dbraw/zinc/95/47/61/1131954761.db2.gz RLRMFGRVPFWSPN-UHFFFAOYSA-N 0 1 295.361 3.588 20 0 CHADMN CC(C)[C@H](NCc1cnn(C)c1Cl)c1ccc(F)cc1 ZINC000712494244 1131956391 /nfs/dbraw/zinc/95/63/91/1131956391.db2.gz CJURDXWSOFDKPN-AWEZNQCLSA-N 0 1 295.789 3.700 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000773138461 1131958810 /nfs/dbraw/zinc/95/88/10/1131958810.db2.gz LEZOKTYADDTDOD-DOMZBBRYSA-N 0 1 284.407 3.575 20 0 CHADMN C[C@@H]1CCCN(Cc2cnccc2C(F)(F)F)[C@@H]1C ZINC001140918264 1131964050 /nfs/dbraw/zinc/96/40/50/1131964050.db2.gz PFDQTRFTVKJREX-GHMZBOCLSA-N 0 1 272.314 3.721 20 0 CHADMN Clc1cccc(CC2CCN(Cc3cnco3)CC2)c1 ZINC001140927564 1131965685 /nfs/dbraw/zinc/96/56/85/1131965685.db2.gz VQCQBISHHWTLDX-UHFFFAOYSA-N 0 1 290.794 3.783 20 0 CHADMN Fc1cccc2c1CC[C@@H](N[C@H]1CCCCC1(F)F)C2 ZINC001171404910 1131972234 /nfs/dbraw/zinc/97/22/34/1131972234.db2.gz OGDXCGREUGSXNQ-DOMZBBRYSA-N 0 1 283.337 3.851 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H]2CCC[C@H]3CCCC[C@@H]32)n1 ZINC000714452850 1131972693 /nfs/dbraw/zinc/97/26/93/1131972693.db2.gz MFSPCWAGRDUCCA-RQJABVFESA-N 0 1 277.412 3.799 20 0 CHADMN Cc1ccccc1C[N@@H+](C)Cc1cc(F)c([O-])c(F)c1 ZINC001140990128 1131978736 /nfs/dbraw/zinc/97/87/36/1131978736.db2.gz MOTULHZZVBVZOV-UHFFFAOYSA-N 0 1 277.314 3.611 20 0 CHADMN CC[N@@H+](Cc1ccccc1)Cc1cc(F)c([O-])c(F)c1 ZINC001140989613 1131979845 /nfs/dbraw/zinc/97/98/45/1131979845.db2.gz RIIXMHIHTGELKC-UHFFFAOYSA-N 0 1 277.314 3.693 20 0 CHADMN CC1(C)c2ccccc2CCN1Cc1cc(CO)ccc1F ZINC001171417326 1131982759 /nfs/dbraw/zinc/98/27/59/1131982759.db2.gz WTRSJFZEPDQPQX-UHFFFAOYSA-N 0 1 299.389 3.611 20 0 CHADMN c1cc2c(O[C@@H]3CC[C@H]4CCCC[C@H]4C3)nnc-2c[nH]1 ZINC001228990589 1131993693 /nfs/dbraw/zinc/99/36/93/1131993693.db2.gz QZUDRMNGBYQIQY-FRRDWIJNSA-N 0 1 271.364 3.696 20 0 CHADMN Fc1ccc([C@H]2CCCN2Cc2ccn3ccnc3c2)cc1 ZINC001141047690 1131995241 /nfs/dbraw/zinc/99/52/41/1131995241.db2.gz PWSLBGXJBVPIQD-QGZVFWFLSA-N 0 1 295.361 3.811 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1ccns1 ZINC000715966319 1131999350 /nfs/dbraw/zinc/99/93/50/1131999350.db2.gz NUSBZUIZWVTUKW-NOZJJQNGSA-N 0 1 262.353 3.620 20 0 CHADMN CCCCc1ncc(CN2CCc3c(C)cccc3C2)[nH]1 ZINC001141067921 1132002296 /nfs/dbraw/zinc/00/22/96/1132002296.db2.gz RSCKBLSWSZQNOG-UHFFFAOYSA-N 0 1 283.419 3.619 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)N[C@H](C)c2ccns2)c1 ZINC000716046247 1132003556 /nfs/dbraw/zinc/00/35/56/1132003556.db2.gz FZOFBRFPLJGIER-WDEREUQCSA-N 0 1 289.404 3.513 20 0 CHADMN C[C@H](N[C@@H]1CCCc2ccc(O)cc21)c1ccns1 ZINC000716052785 1132003703 /nfs/dbraw/zinc/00/37/03/1132003703.db2.gz CGYDOPCXUXFWQX-IINYFYTJSA-N 0 1 274.389 3.577 20 0 CHADMN CC(C)=CCC[C@H](C)NC(=O)c1[nH]nc2c1CCCCC2 ZINC001141085487 1132008721 /nfs/dbraw/zinc/00/87/21/1132008721.db2.gz AIJTXJXFRZIACM-ZDUSSCGKSA-N 0 1 289.423 3.543 20 0 CHADMN Cc1cccc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c1Br ZINC001141091369 1132010807 /nfs/dbraw/zinc/01/08/07/1132010807.db2.gz LEJLFONEEPVRDA-RWMBFGLXSA-N 0 1 298.199 3.690 20 0 CHADMN CN(Cc1cn[nH]c1)Cc1ccc(Oc2ccccc2)cc1 ZINC001203096995 1132025285 /nfs/dbraw/zinc/02/52/85/1132025285.db2.gz ULOFRXNTGYNCRI-UHFFFAOYSA-N 0 1 293.370 3.834 20 0 CHADMN Cc1n[nH]c(CN[C@H](C)c2cc3ccccc3o2)c1C ZINC000716465670 1132025595 /nfs/dbraw/zinc/02/55/95/1132025595.db2.gz ZTUHQAVUDYTEGK-GFCCVEGCSA-N 0 1 269.348 3.624 20 0 CHADMN Clc1ncccc1CNCc1cc2c(s1)CCCC2 ZINC001649161642 1132027345 /nfs/dbraw/zinc/02/73/45/1132027345.db2.gz YTVPGSLPOZRSLA-UHFFFAOYSA-N 0 1 292.835 3.965 20 0 CHADMN C[C@@H]1CN(Cc2ccc3c(c2)CCC(C)(C)O3)C[C@@H]1F ZINC001141182202 1132035636 /nfs/dbraw/zinc/03/56/36/1132035636.db2.gz ICDHYXPMKVUNMQ-DOMZBBRYSA-N 0 1 277.383 3.580 20 0 CHADMN Cc1[nH]c2ccc(Nc3cc(C)cc(Cl)n3)cc2[nH+]1 ZINC001213071398 1132038789 /nfs/dbraw/zinc/03/87/89/1132038789.db2.gz PZVHEMXOZKTAGV-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1nc2ccc(Nc3cc(C)cc(Cl)n3)cc2[nH]1 ZINC001213071398 1132038795 /nfs/dbraw/zinc/03/87/95/1132038795.db2.gz PZVHEMXOZKTAGV-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN CC(=O)CC(C)(C)Nc1cccc(N2CCCC[C@@H]2C)n1 ZINC001171497404 1132039089 /nfs/dbraw/zinc/03/90/89/1132039089.db2.gz PWMVRGXBDYTELK-ZDUSSCGKSA-N 0 1 289.423 3.630 20 0 CHADMN CC(=O)CC(C)(C)Nc1ccc(C2C=NC(=S)N2)cc1 ZINC001171497704 1132039397 /nfs/dbraw/zinc/03/93/97/1132039397.db2.gz AAZMPZPSRSWDAF-UHFFFAOYSA-N 0 1 289.404 3.535 20 0 CHADMN Cc1ccc(CN(C)CCOc2ccccc2)c(F)c1 ZINC001141194786 1132040315 /nfs/dbraw/zinc/04/03/15/1132040315.db2.gz NMCRQHWHHCZDHL-UHFFFAOYSA-N 0 1 273.351 3.645 20 0 CHADMN COc1ccc(C(F)(F)F)cc1CN1CC[C@@H](C)C1 ZINC001141201067 1132041987 /nfs/dbraw/zinc/04/19/87/1132041987.db2.gz ZHYPJWBMSLSMHX-SNVBAGLBSA-N 0 1 273.298 3.556 20 0 CHADMN Cc1ccc(CN(C)C[C@@H]2Cc3ccccc3O2)c(F)c1 ZINC001141198179 1132043055 /nfs/dbraw/zinc/04/30/55/1132043055.db2.gz YKZODBJDEAYTJW-INIZCTEOSA-N 0 1 285.362 3.570 20 0 CHADMN CCOc1cccc(F)c1CN[C@@H](CC)COCC1CC1 ZINC001203105148 1132045896 /nfs/dbraw/zinc/04/58/96/1132045896.db2.gz NOBVIBUZUDUHIL-AWEZNQCLSA-N 0 1 295.398 3.519 20 0 CHADMN COC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(C)c1 ZINC001141233157 1132054100 /nfs/dbraw/zinc/05/41/00/1132054100.db2.gz OQMDTDKKRACHLM-AWEZNQCLSA-N 0 1 267.800 3.649 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H](F)CC2)ccc1Cl ZINC001141234383 1132054529 /nfs/dbraw/zinc/05/45/29/1132054529.db2.gz KTTVGJJLZLCTHU-CYBMUJFWSA-N 0 1 255.764 3.972 20 0 CHADMN CC[NH+](CC)C[C@@H](C)Oc1cc([O-])c(Cl)cc1Cl ZINC001229410293 1132063210 /nfs/dbraw/zinc/06/32/10/1132063210.db2.gz JWDWKKCVLAHETQ-SECBINFHSA-N 0 1 292.206 3.808 20 0 CHADMN Cc1ccc(CC[C@@H](C)NCc2nccnc2Cl)cc1 ZINC001171655892 1132068607 /nfs/dbraw/zinc/06/86/07/1132068607.db2.gz PYEMNZFSBKSZFO-CYBMUJFWSA-N 0 1 289.810 3.549 20 0 CHADMN Cc1ccc(CC[C@H](C)N[C@H](C)c2ncc(F)cn2)cc1 ZINC001171663026 1132070874 /nfs/dbraw/zinc/07/08/74/1132070874.db2.gz HKUNZCLWVWXOIT-UONOGXRCSA-N 0 1 287.382 3.596 20 0 CHADMN C[C@H]([C@H](C)C(=O)Nc1n[nH]c2cc(O)ccc21)C(C)(C)C ZINC001141302291 1132076909 /nfs/dbraw/zinc/07/69/09/1132076909.db2.gz XNTCGSNSLVVQOR-VHSXEESVSA-N 0 1 289.379 3.525 20 0 CHADMN CC(C)=CCN1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001171677926 1132077029 /nfs/dbraw/zinc/07/70/29/1132077029.db2.gz LMFOTVZUCIVYEE-KZNAEPCWSA-N 0 1 271.404 3.947 20 0 CHADMN FC[C@@H](N[C@H]1Cc2cccc(F)c2C1)c1ccccc1 ZINC001171778381 1132095477 /nfs/dbraw/zinc/09/54/77/1132095477.db2.gz VTKCUAHELFKYEZ-WMLDXEAASA-N 0 1 273.326 3.593 20 0 CHADMN CCC[N@@H+](C)Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001141348346 1132096386 /nfs/dbraw/zinc/09/63/86/1132096386.db2.gz ANLADYOFKBJSOM-UHFFFAOYSA-N 0 1 283.371 3.894 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1ccccc1F)CC2 ZINC001171815755 1132104798 /nfs/dbraw/zinc/10/47/98/1132104798.db2.gz UXPJVLGXKHOGBK-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN c1cn(-c2ccccc2)c(CN2CCC(C3CCC3)CC2)n1 ZINC001171841995 1132106693 /nfs/dbraw/zinc/10/66/93/1132106693.db2.gz XPXWQNRWUAYUED-UHFFFAOYSA-N 0 1 295.430 3.884 20 0 CHADMN C[C@H](Cc1ccc(C(F)(F)F)cc1)N(C)Cc1ccon1 ZINC001171975336 1132118606 /nfs/dbraw/zinc/11/86/06/1132118606.db2.gz XTGNMHBZXOOSPD-LLVKDONJSA-N 0 1 298.308 3.756 20 0 CHADMN C1=C[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[CH]C1 ZINC001172068253 1132124756 /nfs/dbraw/zinc/12/47/56/1132124756.db2.gz JFVCOWWXCZMOJD-LWYYNNOASA-N 0 1 295.450 3.694 20 0 CHADMN CC[C@H](C)[C@H](C)Oc1ccc(F)cc1CN(C)C ZINC001229858153 1132125175 /nfs/dbraw/zinc/12/51/75/1132125175.db2.gz HBSLTKABWFGWFZ-RYUDHWBXSA-N 0 1 253.361 3.701 20 0 CHADMN CCCC1CCN(Cc2cnc(C(F)(F)F)nc2)CC1 ZINC001141460183 1132134613 /nfs/dbraw/zinc/13/46/13/1132134613.db2.gz LTPYEKUDXAZQNZ-UHFFFAOYSA-N 0 1 287.329 3.508 20 0 CHADMN CC(=O)[C@@H](N[C@@H]1CSc2ccccc2C1)c1ccccc1 ZINC001172184611 1132135622 /nfs/dbraw/zinc/13/56/22/1132135622.db2.gz OCPRAUSZINFCID-FUHWJXTLSA-N 0 1 297.423 3.623 20 0 CHADMN Cc1ccc2cc(CN3CC4(C3)CC(F)(F)C4)ccc2n1 ZINC001141473018 1132138112 /nfs/dbraw/zinc/13/81/12/1132138112.db2.gz VWJFTLGKKFIYQN-UHFFFAOYSA-N 0 1 288.341 3.774 20 0 CHADMN CCc1ccc(CN(C)C[C@H]2CC2(Cl)Cl)cc1 ZINC000838479227 1132138619 /nfs/dbraw/zinc/13/86/19/1132138619.db2.gz HECPHDXDVKWIOV-CYBMUJFWSA-N 0 1 272.219 3.875 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@H]3CCCCC3(F)F)[nH]c2c1 ZINC001141479485 1132139837 /nfs/dbraw/zinc/13/98/37/1132139837.db2.gz OULMHYLZCPYWRZ-SNVBAGLBSA-N 0 1 293.317 3.635 20 0 CHADMN CCCOc1c(F)cc(F)c(Nc2ncco2)c1F ZINC001212647143 1132145528 /nfs/dbraw/zinc/14/55/28/1132145528.db2.gz NDCWNBRYGBKAMK-UHFFFAOYSA-N 0 1 272.226 3.624 20 0 CHADMN CC(C)Oc1cccc(CNCc2ccc3c(n2)CCC3)c1 ZINC000838906365 1132156252 /nfs/dbraw/zinc/15/62/52/1132156252.db2.gz LLNYMZREWJMLSL-UHFFFAOYSA-N 0 1 296.414 3.647 20 0 CHADMN Cc1cc(F)c(CNC[C@@H](O)c2ccccc2)c(Cl)c1 ZINC000838896337 1132156618 /nfs/dbraw/zinc/15/66/18/1132156618.db2.gz WIDAVPCWFPFDOA-MRXNPFEDSA-N 0 1 293.769 3.611 20 0 CHADMN Cc1cc2[nH]ncc2cc1OC1CCC(F)(F)CC1 ZINC001230222582 1132162115 /nfs/dbraw/zinc/16/21/15/1132162115.db2.gz HIASNDXRHJRFHQ-UHFFFAOYSA-N 0 1 266.291 3.828 20 0 CHADMN Cc1cc2[nH]ncc2cc1OCc1ccnc(OC(C)C)c1 ZINC001230225301 1132162304 /nfs/dbraw/zinc/16/23/04/1132162304.db2.gz OSABNAOCHSCWEN-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@@H](C)c1ncccc1F ZINC001230225529 1132163392 /nfs/dbraw/zinc/16/33/92/1132163392.db2.gz UTXSODOTKCHSBW-JTQLQIEISA-N 0 1 271.295 3.545 20 0 CHADMN CC[C@H](C)OCC[C@H](C)N1CCCC(F)(F)[C@H](F)C1 ZINC001172334039 1132174159 /nfs/dbraw/zinc/17/41/59/1132174159.db2.gz BGPVHWVNOKDJAF-RWMBFGLXSA-N 0 1 281.362 3.649 20 0 CHADMN CC[N@H+]1CCC[C@@H](Oc2c(O)cccc2C(C)(C)C)C1 ZINC001230373098 1132177624 /nfs/dbraw/zinc/17/76/24/1132177624.db2.gz QLHXCJVNUXQFLP-CYBMUJFWSA-N 0 1 277.408 3.553 20 0 CHADMN CC[C@@H](C)OCC[C@@H](C)N1Cc2ccc(OC)cc2C1 ZINC001172344187 1132179772 /nfs/dbraw/zinc/17/97/72/1132179772.db2.gz XLPXXLABPHXYIN-ZIAGYGMSSA-N 0 1 277.408 3.605 20 0 CHADMN CN(Cc1c[nH]c2cc(Cl)ccc12)Cc1ccccn1 ZINC001141577361 1132187281 /nfs/dbraw/zinc/18/72/81/1132187281.db2.gz BGBAARUSYZTKMC-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN F[C@H]1CN(Cc2c[nH]c3cc(Cl)ccc23)C[C@@H]2C[C@@H]21 ZINC001141579328 1132188874 /nfs/dbraw/zinc/18/88/74/1132188874.db2.gz GCWLUVIETZTPED-HERUPUMHSA-N 0 1 278.758 3.611 20 0 CHADMN FC(F)Sc1ccc(CN2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000839187233 1132189535 /nfs/dbraw/zinc/18/95/35/1132189535.db2.gz DPIMKMIGUOHISS-OCCSQVGLSA-N 0 1 299.386 3.612 20 0 CHADMN CC[C@@H](CC(C)C)N(C)[C@@H](Cc1ccccc1)C(=O)OC ZINC001172404301 1132196942 /nfs/dbraw/zinc/19/69/42/1132196942.db2.gz VGAXFNJBVNKCGZ-IRXDYDNUSA-N 0 1 291.435 3.527 20 0 CHADMN CC[C@@H](CC(C)C)N1CCCC[C@@H]1c1noc(C)n1 ZINC001172406464 1132198439 /nfs/dbraw/zinc/19/84/39/1132198439.db2.gz IEZPKAURKXWEMY-UONOGXRCSA-N 0 1 265.401 3.730 20 0 CHADMN CCCCCCC(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000839345012 1132201537 /nfs/dbraw/zinc/20/15/37/1132201537.db2.gz ZFCFVXGYRCWHLF-UHFFFAOYSA-N 0 1 290.342 3.520 20 0 CHADMN Cc1nc2cccc(C(=O)NCCCC3CCCCC3)c2[nH]1 ZINC001141610484 1132205274 /nfs/dbraw/zinc/20/52/74/1132205274.db2.gz LPSSXXAGUUWCOU-UHFFFAOYSA-N 0 1 299.418 3.962 20 0 CHADMN CC[C@H](CC(C)C)N[C@@H](C(=O)OC(C)(C)C)C(C)C ZINC001172384839 1132210040 /nfs/dbraw/zinc/21/00/40/1132210040.db2.gz JXPCOENGXPQZTP-ZIAGYGMSSA-N 0 1 271.445 3.767 20 0 CHADMN CCN1CC[C@H](Oc2c(Cl)cccc2C(F)(F)F)C1 ZINC001230826837 1132219132 /nfs/dbraw/zinc/21/91/32/1132219132.db2.gz UTBIAEOWXMZEST-VIFPVBQESA-N 0 1 293.716 3.832 20 0 CHADMN FC[C@@H]1CCC[N@@H+](Cc2ccc3cc(F)ccc3n2)C1 ZINC001141648782 1132223003 /nfs/dbraw/zinc/22/30/03/1132223003.db2.gz DQGCCXPJFTZOFQ-LBPRGKRZSA-N 0 1 276.330 3.555 20 0 CHADMN CCc1nc([C@@H](C)NCCOc2ccccc2C)cs1 ZINC000839556527 1132223709 /nfs/dbraw/zinc/22/37/09/1132223709.db2.gz PEIYXDGPMIVVDU-CYBMUJFWSA-N 0 1 290.432 3.744 20 0 CHADMN CCN(Cc1occc1C)C[C@H]1CC1(Cl)Cl ZINC000839662425 1132228325 /nfs/dbraw/zinc/22/83/25/1132228325.db2.gz ZACGXCFUPGUWGZ-SNVBAGLBSA-N 0 1 262.180 3.604 20 0 CHADMN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)[C@H]1CCN1C(C)(C)C ZINC001141661625 1132229388 /nfs/dbraw/zinc/22/93/88/1132229388.db2.gz HKVGFKAWDZQUJQ-QLFBSQMISA-N 0 1 294.483 3.532 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2Oc1cc2[nH]ncc2c(F)c1 ZINC001230935556 1132230407 /nfs/dbraw/zinc/23/04/07/1132230407.db2.gz RLEFTQVBLYIZRR-INIZCTEOSA-N 0 1 286.281 3.907 20 0 CHADMN C[C@H](Oc1cc2[nH]ncc2c(F)c1)c1cccs1 ZINC001230930296 1132231060 /nfs/dbraw/zinc/23/10/60/1132231060.db2.gz BCSAAQPAQOXHSY-QMMMGPOBSA-N 0 1 262.309 3.904 20 0 CHADMN CC(C)C(Oc1cc2[nH]ncc2c(F)c1)C(C)C ZINC001230930323 1132231071 /nfs/dbraw/zinc/23/10/71/1132231071.db2.gz BWJBKDRWDUQUFN-UHFFFAOYSA-N 0 1 250.317 3.761 20 0 CHADMN Cc1c(Cl)cnc(O[C@@H]2CCN(C(C)C)C2)c1Cl ZINC001231069253 1132251647 /nfs/dbraw/zinc/25/16/47/1132251647.db2.gz ZZVYSCGHRCUCQD-SNVBAGLBSA-N 0 1 289.206 3.558 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840473855 1132262569 /nfs/dbraw/zinc/26/25/69/1132262569.db2.gz BHXVHZMBLWKGKW-NHYWBVRUSA-N 0 1 281.400 3.714 20 0 CHADMN Cc1nc([C@H](C)OC(=O)c2ccc(C3=CCCC3)cc2)n[nH]1 ZINC000840577510 1132266070 /nfs/dbraw/zinc/26/60/70/1132266070.db2.gz ZVYDMBGMKHFRBT-NSHDSACASA-N 0 1 297.358 3.598 20 0 CHADMN Clc1ccnc(CN[C@H]2CC[C@@H](c3ccccc3)C2)n1 ZINC001172559026 1132266436 /nfs/dbraw/zinc/26/64/36/1132266436.db2.gz JPCWSISMLHNVDK-KGLIPLIRSA-N 0 1 287.794 3.556 20 0 CHADMN CCCCCC(=O)c1ccc(O[C@@H]2CCN(C)C2)cc1 ZINC001231257830 1132276824 /nfs/dbraw/zinc/27/68/24/1132276824.db2.gz XQOZQNWBTKOZRX-MRXNPFEDSA-N 0 1 275.392 3.533 20 0 CHADMN COC[C@H](N[C@H]1C[C@H](OC(C)(C)C)C1(C)C)c1ccco1 ZINC000840726471 1132278205 /nfs/dbraw/zinc/27/82/05/1132278205.db2.gz YZYRYGSAXJOPNP-QEJZJMRPSA-N 0 1 295.423 3.539 20 0 CHADMN Cc1n[nH]cc1-c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC001212677513 1132293104 /nfs/dbraw/zinc/29/31/04/1132293104.db2.gz AZVLOHIEYMTFBP-UHFFFAOYSA-N 0 1 295.129 3.742 20 0 CHADMN CC(=O)[C@@H]1CCCN1Cc1ccc(-c2cccs2)cc1 ZINC001231430942 1132293893 /nfs/dbraw/zinc/29/38/93/1132293893.db2.gz LQHSWFBMHNPMSA-INIZCTEOSA-N 0 1 285.412 3.969 20 0 CHADMN CSc1cc(C)ccc1NC(=S)NC(C)(C)C ZINC000840858098 1132296115 /nfs/dbraw/zinc/29/61/15/1132296115.db2.gz ZUUOORRMFNYWLN-UHFFFAOYSA-N 0 1 268.451 3.802 20 0 CHADMN Clc1ccc2c(c1)C[C@@H](N1CCOc3ccccc3C1)C2 ZINC001172720823 1132296537 /nfs/dbraw/zinc/29/65/37/1132296537.db2.gz YBBVMKOMXQYFCG-KRWDZBQOSA-N 0 1 299.801 3.702 20 0 CHADMN O=C1N[C@@H](NC2CCC3(CCCC3)CC2)c2ccccc21 ZINC001172724458 1132298072 /nfs/dbraw/zinc/29/80/72/1132298072.db2.gz SHGDQXVUBAHJBP-MRXNPFEDSA-N 0 1 284.403 3.521 20 0 CHADMN c1cnc(C2(NC3CCC4(CCCC4)CC3)CC2)nc1 ZINC001172725647 1132299297 /nfs/dbraw/zinc/29/92/97/1132299297.db2.gz AZOGTIXCJMLNLQ-UHFFFAOYSA-N 0 1 271.408 3.558 20 0 CHADMN Cc1cc(C)c(CN2CCC[C@@H]2c2ncccn2)cc1C ZINC001231485826 1132300084 /nfs/dbraw/zinc/30/00/84/1132300084.db2.gz ILTJYIVIVKVMQQ-QGZVFWFLSA-N 0 1 281.403 3.739 20 0 CHADMN Fc1ccc(C2CN(Cc3cc4cnccc4o3)C2)cc1 ZINC001206173947 1132302742 /nfs/dbraw/zinc/30/27/42/1132302742.db2.gz DYYMKKMXJCADBW-UHFFFAOYSA-N 0 1 282.318 3.566 20 0 CHADMN CCc1ccc(C[N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)s1 ZINC001231500206 1132305301 /nfs/dbraw/zinc/30/53/01/1132305301.db2.gz TWZXHCZRGPLDHB-IRXDYDNUSA-N 0 1 297.423 3.722 20 0 CHADMN CCc1ccc(CN2CC(C)(C)OC(C)(C)C2)s1 ZINC001231503067 1132307591 /nfs/dbraw/zinc/30/75/91/1132307591.db2.gz MUIMXVQYMGBCEX-UHFFFAOYSA-N 0 1 267.438 3.700 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3ccccc3)c2)C[C@@H](C)O1 ZINC001231509467 1132311098 /nfs/dbraw/zinc/31/10/98/1132311098.db2.gz YZIUARFLPIWZMR-HZPDHXFCSA-N 0 1 281.399 3.963 20 0 CHADMN CC(C)Oc1ccc(CN2Cc3ccccc3[C@H](C)C2)cn1 ZINC001231532527 1132313853 /nfs/dbraw/zinc/31/38/53/1132313853.db2.gz WJPYMIGYIYQMNE-OAHLLOKOSA-N 0 1 296.414 3.988 20 0 CHADMN C[C@H]1CCCCCN1Cc1cc(Br)c[nH]1 ZINC001231576433 1132316113 /nfs/dbraw/zinc/31/61/13/1132316113.db2.gz IAHXGKJKAIKVBQ-JTQLQIEISA-N 0 1 271.202 3.542 20 0 CHADMN c1ccc(CC2CCC(N3Cc4cncnc4C3)CC2)cc1 ZINC001172820990 1132317944 /nfs/dbraw/zinc/31/79/44/1132317944.db2.gz GGKFHSUFURXSMZ-UHFFFAOYSA-N 0 1 293.414 3.594 20 0 CHADMN Clc1ccc(CN(Cc2ccccc2)C2CCC2)nn1 ZINC001142076704 1132320333 /nfs/dbraw/zinc/32/03/33/1132320333.db2.gz VRQRPJIQXHUIEI-UHFFFAOYSA-N 0 1 287.794 3.685 20 0 CHADMN Cc1ccc(-c2ccc(CN3C[C@@H](C)OC[C@H]3C)cc2)o1 ZINC001231600064 1132323997 /nfs/dbraw/zinc/32/39/97/1132323997.db2.gz SFCDOZRJXWEAGX-UKRRQHHQSA-N 0 1 285.387 3.864 20 0 CHADMN CCN(Cc1ccccc1)Cc1ccc(F)cc1OC ZINC001231601488 1132324183 /nfs/dbraw/zinc/32/41/83/1132324183.db2.gz HZOBKNLAAJKERH-UHFFFAOYSA-N 0 1 273.351 3.856 20 0 CHADMN COc1cc(F)ccc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001231604277 1132327098 /nfs/dbraw/zinc/32/70/98/1132327098.db2.gz XNORSXNNQDYDCK-BBRMVZONSA-N 0 1 277.383 3.989 20 0 CHADMN CCO[C@@H]1CCN(Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC001231714006 1132346328 /nfs/dbraw/zinc/34/63/28/1132346328.db2.gz NTEJLHGNEWNFIT-CQSZACIVSA-N 0 1 297.826 3.738 20 0 CHADMN CC(C)Oc1ccc(CN2CC3CC(C3)C2)cc1Cl ZINC001231713969 1132347338 /nfs/dbraw/zinc/34/73/38/1132347338.db2.gz LHVYOFCHFYDOKF-UHFFFAOYSA-N 0 1 279.811 3.969 20 0 CHADMN CCN(Cc1c(Cl)cc(OC)cc1OC)C(C)C ZINC001231694610 1132348010 /nfs/dbraw/zinc/34/80/10/1132348010.db2.gz SNQHFNCDKOYGMP-UHFFFAOYSA-N 0 1 271.788 3.588 20 0 CHADMN COc1ccc(C[N@H+](C)Cc2ccc(Cl)c([O-])c2)cc1 ZINC001231732143 1132349696 /nfs/dbraw/zinc/34/96/96/1132349696.db2.gz VDQWAQWJLFNUAN-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN COc1ccc(C[N@@H+](C)Cc2ccc(Cl)c([O-])c2)cc1 ZINC001231732143 1132349704 /nfs/dbraw/zinc/34/97/04/1132349704.db2.gz VDQWAQWJLFNUAN-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN [O-]c1cc(C[N@@H+]2CCC23CCCCC3)ccc1Cl ZINC001231732312 1132351859 /nfs/dbraw/zinc/35/18/59/1132351859.db2.gz XVFSTHGYHJPKTF-UHFFFAOYSA-N 0 1 265.784 3.954 20 0 CHADMN [O-]c1cc(C[N@H+]2CCC23CCCCC3)ccc1Cl ZINC001231732312 1132351863 /nfs/dbraw/zinc/35/18/63/1132351863.db2.gz XVFSTHGYHJPKTF-UHFFFAOYSA-N 0 1 265.784 3.954 20 0 CHADMN CC(C)Oc1ncccc1CN1CCC[C@](C)(F)CC1 ZINC001231755559 1132354676 /nfs/dbraw/zinc/35/46/76/1132354676.db2.gz ZPZHPVAGEIQFHB-INIZCTEOSA-N 0 1 280.387 3.583 20 0 CHADMN Cc1cc(NC(=O)c2cccc(F)c2O)ccc1Cl ZINC001277562996 1132355608 /nfs/dbraw/zinc/35/56/08/1132355608.db2.gz QPVZIKGLBQNRIW-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN Cc1nc2cc(Nc3c[nH]c(=O)c4ccccc34)ccc2[nH]1 ZINC001213071565 1132374372 /nfs/dbraw/zinc/37/43/72/1132374372.db2.gz YHAUVNAOOSETAI-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN CO[C@@H]1CCC[C@@H](N2CCc3c4ccccc4oc3C2)C1 ZINC001172949381 1132374838 /nfs/dbraw/zinc/37/48/38/1132374838.db2.gz JRHSDHRUSTWILS-ZIAGYGMSSA-N 0 1 285.387 3.749 20 0 CHADMN COC(=O)c1cc(F)ccc1Nc1ccc2[nH]c(C)nc2c1 ZINC001213074493 1132378114 /nfs/dbraw/zinc/37/81/14/1132378114.db2.gz XESSEGBCTGXOAU-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN CC(C)c1ccccc1CN1CCc2cccnc2C1 ZINC001231877836 1132387607 /nfs/dbraw/zinc/38/76/07/1132387607.db2.gz WWBPKLRRIALNCJ-UHFFFAOYSA-N 0 1 266.388 3.763 20 0 CHADMN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](F)C1 ZINC001173079103 1132389257 /nfs/dbraw/zinc/38/92/57/1132389257.db2.gz PXUJSMIOLHWXJB-CMPLNLGQSA-N 0 1 291.288 3.560 20 0 CHADMN C[C@@H]1CCN(Cc2ccnc(C(F)F)c2)[C@H](C)C1 ZINC001231890348 1132395183 /nfs/dbraw/zinc/39/51/83/1132395183.db2.gz YYAKJGBVZGFGAD-GHMZBOCLSA-N 0 1 254.324 3.640 20 0 CHADMN COc1cccc2c(CN3Cc4ccccc4C3)c[nH]c21 ZINC001231894993 1132395599 /nfs/dbraw/zinc/39/55/99/1132395599.db2.gz GCAHNLOKJCVQNU-UHFFFAOYSA-N 0 1 278.355 3.692 20 0 CHADMN O=C1N[C@@H](NC2CCC3(CCCCC3)CC2)c2ccccc21 ZINC001173115442 1132395889 /nfs/dbraw/zinc/39/58/89/1132395889.db2.gz ATNJYLXVIUSFHI-QGZVFWFLSA-N 0 1 298.430 3.911 20 0 CHADMN C[C@@H](N[C@H]1COCc2ccccc21)c1ccc2c(c1)CCO2 ZINC000841762629 1132396610 /nfs/dbraw/zinc/39/66/10/1132396610.db2.gz ZBRGHGYCNQXCFM-ACJLOTCBSA-N 0 1 295.382 3.544 20 0 CHADMN COc1cccc2c(C[N@@H+](C)Cc3ccsc3)c[nH]c21 ZINC001231900066 1132397040 /nfs/dbraw/zinc/39/70/40/1132397040.db2.gz COJLNLRAWYOGNI-UHFFFAOYSA-N 0 1 286.400 3.870 20 0 CHADMN COc1cccc2c(C[N@H+]3CC[C@@H](C(F)(F)F)C3)c[nH]c21 ZINC001231900068 1132397379 /nfs/dbraw/zinc/39/73/79/1132397379.db2.gz CPOXYNIEYYWZGS-LLVKDONJSA-N 0 1 298.308 3.561 20 0 CHADMN CC[C@@H]1CCN(Cc2cnc(C(F)(F)F)cc2Cl)C1 ZINC001231904041 1132399003 /nfs/dbraw/zinc/39/90/03/1132399003.db2.gz FERKQLQMBHFAFL-SECBINFHSA-N 0 1 292.732 3.986 20 0 CHADMN Cc1cc(CN(C)Cc2cccc(Cl)c2)cnc1F ZINC001231927719 1132401606 /nfs/dbraw/zinc/40/16/06/1132401606.db2.gz XYRFFUKDLVYTPF-UHFFFAOYSA-N 0 1 278.758 3.815 20 0 CHADMN Cc1cc(CN2CCSC[C@@H]2C2CCC2)cc(Cl)n1 ZINC000841894547 1132402061 /nfs/dbraw/zinc/40/20/61/1132402061.db2.gz YQEINBNWVKMHFZ-CQSZACIVSA-N 0 1 296.867 3.761 20 0 CHADMN COc1ccnc(CN(Cc2cccc(C)c2C)C2CC2)c1 ZINC001231973264 1132403472 /nfs/dbraw/zinc/40/34/72/1132403472.db2.gz WEIPXSZKEZHOAD-UHFFFAOYSA-N 0 1 296.414 3.872 20 0 CHADMN c1[nH]nc2c1cccc2C[N@H+]1CCSc2ccccc2C1 ZINC001231975889 1132405501 /nfs/dbraw/zinc/40/55/01/1132405501.db2.gz WSADMLJFELYXDS-UHFFFAOYSA-N 0 1 295.411 3.671 20 0 CHADMN COc1cccc2[nH]cc(CN3CCCC[C@H](F)C3)c21 ZINC001232033982 1132412338 /nfs/dbraw/zinc/41/23/38/1132412338.db2.gz GWQODWZBYCCDQC-ZDUSSCGKSA-N 0 1 276.355 3.501 20 0 CHADMN FC(F)(F)c1cccc(CN2CC3CCC(CC3)C2)n1 ZINC001232073835 1132418426 /nfs/dbraw/zinc/41/84/26/1132418426.db2.gz MXWIDYYFEDOZCB-UHFFFAOYSA-N 0 1 284.325 3.722 20 0 CHADMN CCCC[C@H](CC(C)C)NCc1ncc(Cl)cn1 ZINC001173251084 1132421339 /nfs/dbraw/zinc/42/13/39/1132421339.db2.gz YWHHULCYDBDEKR-CYBMUJFWSA-N 0 1 269.820 3.825 20 0 CHADMN CC/C=C(\C)C(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001142669834 1132421748 /nfs/dbraw/zinc/42/17/48/1132421748.db2.gz GOAAALZZLURACN-QPJJXVBHSA-N 0 1 274.147 3.994 20 0 CHADMN CCCC[C@@H](CC(C)C)n1c(CN)nc2cnccc21 ZINC001173256257 1132423423 /nfs/dbraw/zinc/42/34/23/1132423423.db2.gz ITKPSCLFWUYLPX-ZDUSSCGKSA-N 0 1 274.412 3.667 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2C2CC2)cc1 ZINC001232170687 1132429929 /nfs/dbraw/zinc/42/99/29/1132429929.db2.gz BKCXDWIORDFNBX-SFHVURJKSA-N 0 1 295.430 3.943 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2ncccc2Br)CC1 ZINC001232167686 1132430507 /nfs/dbraw/zinc/43/05/07/1132430507.db2.gz MJKJSLOKAOHXDY-HAQNSBGRSA-N 0 1 297.240 3.855 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2ncccc2Br)CC1 ZINC001232167686 1132430512 /nfs/dbraw/zinc/43/05/12/1132430512.db2.gz MJKJSLOKAOHXDY-HAQNSBGRSA-N 0 1 297.240 3.855 20 0 CHADMN COc1ccnc(Cl)c1CN1CCCCC[C@@H]1C ZINC001232157031 1132430593 /nfs/dbraw/zinc/43/05/93/1132430593.db2.gz WVDQLOFZNKVUSB-NSHDSACASA-N 0 1 268.788 3.508 20 0 CHADMN Cc1cnc(CN2CCC[C@H](C)[C@H]2C)c(Br)c1 ZINC001232175175 1132431176 /nfs/dbraw/zinc/43/11/76/1132431176.db2.gz CSERJEXDNGYEQA-NWDGAFQWSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1cnc(CN2CCCCC[C@@H]2C)c(Br)c1 ZINC001232176275 1132431530 /nfs/dbraw/zinc/43/15/30/1132431530.db2.gz PDTOPRIKDXAUAL-LBPRGKRZSA-N 0 1 297.240 3.917 20 0 CHADMN c1cc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)sn1 ZINC001232193198 1132433180 /nfs/dbraw/zinc/43/31/80/1132433180.db2.gz UXRZTKPTJOPESA-HNNXBMFYSA-N 0 1 272.417 3.598 20 0 CHADMN Clc1ccc(-c2ccccc2C[N@H+]2C[C@@H]3C[C@H]2CO3)cc1 ZINC001232195504 1132433852 /nfs/dbraw/zinc/43/38/52/1132433852.db2.gz SYNFWUBZNOTOBT-IRXDYDNUSA-N 0 1 299.801 3.980 20 0 CHADMN Clc1ccc(-c2ccccc2CN2C[C@@H]3C[C@H]2CO3)cc1 ZINC001232195504 1132433854 /nfs/dbraw/zinc/43/38/54/1132433854.db2.gz SYNFWUBZNOTOBT-IRXDYDNUSA-N 0 1 299.801 3.980 20 0 CHADMN CC(C)(C)c1cc(CN2CCC[C@@H](C(F)F)C2)ccn1 ZINC001232216923 1132439314 /nfs/dbraw/zinc/43/93/14/1132439314.db2.gz BJWFXJABANNLHX-CYBMUJFWSA-N 0 1 282.378 3.856 20 0 CHADMN C[C@@H]1CCN(Cc2ccnc(C(F)(F)F)c2)[C@H](C)C1 ZINC001232241123 1132443360 /nfs/dbraw/zinc/44/33/60/1132443360.db2.gz GPPXRRTVFDNKOM-GHMZBOCLSA-N 0 1 272.314 3.721 20 0 CHADMN Clc1cc(CN2CC[C@@H](c3ccncc3)C2)cs1 ZINC001142769329 1132444445 /nfs/dbraw/zinc/44/44/45/1132444445.db2.gz SARRMDFWIUFILX-CYBMUJFWSA-N 0 1 278.808 3.786 20 0 CHADMN CN(Cc1cc(Cl)cs1)C[C@H]1Cc2ccccc2O1 ZINC001232283901 1132449526 /nfs/dbraw/zinc/44/95/26/1132449526.db2.gz XIWBBMZURQGBIR-CYBMUJFWSA-N 0 1 293.819 3.837 20 0 CHADMN CCCCC[C@@H](NCc1cncnc1OC)c1ccccc1 ZINC000842674972 1132449550 /nfs/dbraw/zinc/44/95/50/1132449550.db2.gz MDWBFHFETBWKPX-QGZVFWFLSA-N 0 1 299.418 3.896 20 0 CHADMN COc1ccc(CN2CCc3ccccc3[C@@H]2C)c(C)n1 ZINC001232330554 1132455981 /nfs/dbraw/zinc/45/59/81/1132455981.db2.gz GAIPXVAMRZJVKX-AWEZNQCLSA-N 0 1 282.387 3.518 20 0 CHADMN CSc1ccc(CN2CCC(c3cccnc3)CC2)cn1 ZINC001232329650 1132456008 /nfs/dbraw/zinc/45/60/08/1132456008.db2.gz AFJBOMNSXKVFGR-UHFFFAOYSA-N 0 1 299.443 3.578 20 0 CHADMN COc1ccc(CN(Cc2ccccc2)C2CC2)c(C)n1 ZINC001232335979 1132456973 /nfs/dbraw/zinc/45/69/73/1132456973.db2.gz JIBYAXARNRSQKR-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(SC)nc2)cc1 ZINC001232330922 1132457203 /nfs/dbraw/zinc/45/72/03/1132457203.db2.gz BRBADLDXAAICSY-UHFFFAOYSA-N 0 1 286.444 3.998 20 0 CHADMN COc1ccc(OCc2ccccc2)c(CN(C)C2CC2)c1 ZINC001232377230 1132461900 /nfs/dbraw/zinc/46/19/00/1132461900.db2.gz VQZVWAGBSKYGFV-UHFFFAOYSA-N 0 1 297.398 3.868 20 0 CHADMN Cc1cccc2nc(NC(=O)C=Cc3ccccc3)[nH]c21 ZINC001142863818 1132463833 /nfs/dbraw/zinc/46/38/33/1132463833.db2.gz AHIOFKLHJNUYLT-ZHACJKMWSA-N 0 1 277.327 3.523 20 0 CHADMN Cc1c(F)cc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1F ZINC001232421705 1132467650 /nfs/dbraw/zinc/46/76/50/1132467650.db2.gz NUCKJZIWVOFESP-UONOGXRCSA-N 0 1 265.347 3.895 20 0 CHADMN Fc1ccc2nc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)cn2c1 ZINC001232417493 1132467886 /nfs/dbraw/zinc/46/78/86/1132467886.db2.gz SMFJFQRVSXFJMB-BBRMVZONSA-N 0 1 287.382 3.628 20 0 CHADMN Fc1ccc2nc(CN3CCC[C@@H]4CCCC[C@@H]43)cn2c1 ZINC001232417493 1132467889 /nfs/dbraw/zinc/46/78/89/1132467889.db2.gz SMFJFQRVSXFJMB-BBRMVZONSA-N 0 1 287.382 3.628 20 0 CHADMN Cn1cnc2c1CN([C@@H]1CCCC3(CCCCC3)C1)CC2 ZINC001173347836 1132472834 /nfs/dbraw/zinc/47/28/34/1132472834.db2.gz BPZBWGDTAYDXJS-OAHLLOKOSA-N 0 1 287.451 3.671 20 0 CHADMN CCc1csc(CN2CC[C@@H](c3ccccc3F)C2)n1 ZINC001232473480 1132475342 /nfs/dbraw/zinc/47/53/42/1132475342.db2.gz SSHAJLKEOREMBO-GFCCVEGCSA-N 0 1 290.407 3.834 20 0 CHADMN Fc1ccnc(CN2CCCC[C@H]2c2ccccc2)c1 ZINC001232490516 1132479782 /nfs/dbraw/zinc/47/97/82/1132479782.db2.gz LKPQQVZOALSOBQ-KRWDZBQOSA-N 0 1 270.351 3.948 20 0 CHADMN CN(CCc1cccc(Cl)c1)Cc1cc(F)ccn1 ZINC001232496909 1132480287 /nfs/dbraw/zinc/48/02/87/1132480287.db2.gz XHDFCXUNXNMNSL-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1cc(F)ccn1 ZINC001232497636 1132481423 /nfs/dbraw/zinc/48/14/23/1132481423.db2.gz IEYDQSFXTXGKNA-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN Cc1c(Br)cncc1CN1CC[C@H](C)C[C@H]1C ZINC001232530562 1132483062 /nfs/dbraw/zinc/48/30/62/1132483062.db2.gz AABJANPEJHQPIR-WDEREUQCSA-N 0 1 297.240 3.773 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(Br)c2N)[C@@H](C)C1 ZINC001232525375 1132484278 /nfs/dbraw/zinc/48/42/78/1132484278.db2.gz JOPCEKXAHAUOKP-MNOVXSKESA-N 0 1 297.240 3.652 20 0 CHADMN Fc1cc2c(cc1F)CC([N@@H+](Cc1ccco1)C1CC1)C2 ZINC001173482890 1132485559 /nfs/dbraw/zinc/48/55/59/1132485559.db2.gz MOQYOODEKFFKCC-UHFFFAOYSA-N 0 1 289.325 3.690 20 0 CHADMN COC(=O)CCCC[C@@H](C)N1Cc2cccc(Cl)c2C1 ZINC001173461995 1132488431 /nfs/dbraw/zinc/48/84/31/1132488431.db2.gz RSFDQAKCAAFSLM-GFCCVEGCSA-N 0 1 295.810 3.778 20 0 CHADMN CCOc1ccnc(CN2CCC[C@H]2c2cccs2)c1 ZINC001232582469 1132489422 /nfs/dbraw/zinc/48/94/22/1132489422.db2.gz DRCNFTBLAIRNOK-HNNXBMFYSA-N 0 1 288.416 3.879 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc2ccsc2c1 ZINC001232610285 1132493608 /nfs/dbraw/zinc/49/36/08/1132493608.db2.gz MIEXMGZACJGMAF-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN Brc1coc(CN2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC001232851750 1132530273 /nfs/dbraw/zinc/53/02/73/1132530273.db2.gz IAEDGAUYGRIQKQ-PHIMTYICSA-N 0 1 284.197 3.664 20 0 CHADMN CC1(C)CN(Cc2ccc3nccn3c2)Cc2ccccc21 ZINC001143034152 1132494919 /nfs/dbraw/zinc/49/49/19/1132494919.db2.gz XQNIDLWGHQPMJT-UHFFFAOYSA-N 0 1 291.398 3.628 20 0 CHADMN [O-]c1c(Cl)ccc(C[N@@H+]2CCCC23CC3)c1Cl ZINC001232623496 1132496875 /nfs/dbraw/zinc/49/68/75/1132496875.db2.gz BVIJINXVCNSXJU-UHFFFAOYSA-N 0 1 272.175 3.827 20 0 CHADMN [O-]c1c(Cl)ccc(C[N@H+]2CCCC23CC3)c1Cl ZINC001232623496 1132496876 /nfs/dbraw/zinc/49/68/76/1132496876.db2.gz BVIJINXVCNSXJU-UHFFFAOYSA-N 0 1 272.175 3.827 20 0 CHADMN C/C(=C/c1ccccc1Cl)c1nc([C@H](N)C(C)C)no1 ZINC000843150460 1132497832 /nfs/dbraw/zinc/49/78/32/1132497832.db2.gz UDHQAEMPXMPUDE-CHOZFAJLSA-N 0 1 291.782 3.939 20 0 CHADMN CC[C@H](CC1CCCC1)c1nc([C@@H](N)C(C)C)no1 ZINC000843150363 1132498171 /nfs/dbraw/zinc/49/81/71/1132498171.db2.gz AFKOPLWIARHMMP-OLZOCXBDSA-N 0 1 265.401 3.799 20 0 CHADMN O=C1CCN(Cc2cccc3c2CCCC3)[C@@H]2CCCC[C@H]12 ZINC001232633512 1132498654 /nfs/dbraw/zinc/49/86/54/1132498654.db2.gz AVTMFVITNKSRSG-RBUKOAKNSA-N 0 1 297.442 3.899 20 0 CHADMN COc1cccc(C)c1CN1CCc2ccsc2C1 ZINC001232628518 1132499241 /nfs/dbraw/zinc/49/92/41/1132499241.db2.gz XCORTKNHNVKGPJ-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN CCC[C@@H](C)c1noc([C@@H](CC(C)(C)C)NC)n1 ZINC000843182152 1132499951 /nfs/dbraw/zinc/49/99/51/1132499951.db2.gz KUYDGDIKKMEDDH-GHMZBOCLSA-N 0 1 253.390 3.670 20 0 CHADMN CCCN[C@@H](C)c1nc([C@H](C)c2c(F)cccc2F)no1 ZINC000843189110 1132501778 /nfs/dbraw/zinc/50/17/78/1132501778.db2.gz KKIFMCTTWNYAFH-ZJUUUORDSA-N 0 1 295.333 3.560 20 0 CHADMN CCN(CC)Cc1cc(F)c(Cl)cc1Cl ZINC001232698192 1132508183 /nfs/dbraw/zinc/50/81/83/1132508183.db2.gz JPKFNLDDVJZFPW-UHFFFAOYSA-N 0 1 250.144 3.974 20 0 CHADMN Cc1cnc2c(c1)CN(Cc1cccc3ncsc31)CC2 ZINC001232737524 1132512918 /nfs/dbraw/zinc/51/29/18/1132512918.db2.gz FZBBFDYJBOIPMG-UHFFFAOYSA-N 0 1 295.411 3.558 20 0 CHADMN COc1ccc2cc(CN3CC[C@@H](C)C3)c(Cl)nc2c1 ZINC000040718150 1132516807 /nfs/dbraw/zinc/51/68/07/1132516807.db2.gz BHONKQIROUSPFF-LLVKDONJSA-N 0 1 290.794 3.739 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccc([O-])c1Cl ZINC000328329831 1132523674 /nfs/dbraw/zinc/52/36/74/1132523674.db2.gz HWHCOTJUXKHDBI-PHIMTYICSA-N 0 1 253.773 3.809 20 0 CHADMN FC(F)c1ccc(CN2CCCC[C@H](F)C2)cc1 ZINC001143243795 1132523637 /nfs/dbraw/zinc/52/36/37/1132523637.db2.gz COYGCAAUWMKMLH-ZDUSSCGKSA-N 0 1 257.299 3.948 20 0 CHADMN COc1cc(O)cc(CN(C)C/C=C/c2ccccc2)c1 ZINC001232804606 1132524304 /nfs/dbraw/zinc/52/43/04/1132524304.db2.gz FGMUMNSURUAFGD-RMKNXTFCSA-N 0 1 283.371 3.546 20 0 CHADMN CC(C)CN(C)Cc1cc(Br)cnc1Cl ZINC000843391416 1132526478 /nfs/dbraw/zinc/52/64/78/1132526478.db2.gz FNKHSVOPURRQTI-UHFFFAOYSA-N 0 1 291.620 3.585 20 0 CHADMN CC[C@@H](C)N(C)Cc1cc(Br)cnc1Cl ZINC000843391706 1132527083 /nfs/dbraw/zinc/52/70/83/1132527083.db2.gz JFHNKSVTYVQAJN-MRVPVSSYSA-N 0 1 291.620 3.728 20 0 CHADMN COc1cc(CN2CCCC(F)(F)CC2)c(OC)cc1C ZINC001232832358 1132527292 /nfs/dbraw/zinc/52/72/92/1132527292.db2.gz DJPYKDZTCMKZMV-UHFFFAOYSA-N 0 1 299.361 3.633 20 0 CHADMN COc1ccccc1CN(C)Cc1c[nH]c2ccc(O)cc12 ZINC001232867293 1132534227 /nfs/dbraw/zinc/53/42/27/1132534227.db2.gz WNKIYKMJVVJJKS-UHFFFAOYSA-N 0 1 296.370 3.514 20 0 CHADMN Cc1cc(O)cc(CN2CCC[C@H]2c2ccc(C)nc2)c1 ZINC001232886268 1132537094 /nfs/dbraw/zinc/53/70/94/1132537094.db2.gz QMLSOAPDMCXTEN-SFHVURJKSA-N 0 1 282.387 3.741 20 0 CHADMN CSCCN(C)Cc1ccc(-c2cccc(F)c2)nc1 ZINC001232886667 1132538831 /nfs/dbraw/zinc/53/88/31/1132538831.db2.gz BIESWVQEKXCYCM-UHFFFAOYSA-N 0 1 290.407 3.683 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cccc(C)c1 ZINC001173808880 1132543365 /nfs/dbraw/zinc/54/33/65/1132543365.db2.gz OYZVYAWIDFSLNN-UHFFFAOYSA-N 0 1 255.296 3.834 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1ccc3ncoc3c1)CC2 ZINC001232937433 1132544525 /nfs/dbraw/zinc/54/45/25/1132544525.db2.gz ASHPBYGDLZUQBJ-UHFFFAOYSA-N 0 1 278.355 3.695 20 0 CHADMN Cc1cc(NC(=O)c2c[nH]nc2-c2ccsc2)cs1 ZINC001149514004 1132544584 /nfs/dbraw/zinc/54/45/84/1132544584.db2.gz UQLMHZQAPCAKLC-UHFFFAOYSA-N 0 1 289.385 3.760 20 0 CHADMN C[C@H]1C[N@H+](Cc2ccc(F)c([O-])c2F)CCC[C@@H]1C ZINC001232931347 1132545785 /nfs/dbraw/zinc/54/57/85/1132545785.db2.gz MWLSLRHMQCCFPV-QWRGUYRKSA-N 0 1 269.335 3.538 20 0 CHADMN CC(C)C1CCC(CNC(=O)c2n[nH]c3ccccc32)CC1 ZINC001150021721 1132549706 /nfs/dbraw/zinc/54/97/06/1132549706.db2.gz HWQHRVCCFHJTIN-UHFFFAOYSA-N 0 1 299.418 3.755 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@H](C)c3ccccc3C)cc2[nH]1 ZINC001150106589 1132552276 /nfs/dbraw/zinc/55/22/76/1132552276.db2.gz NHEPNYPRSADLMG-GFCCVEGCSA-N 0 1 293.370 3.922 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccnc(Cl)c2O)c1F ZINC001214797618 1132553174 /nfs/dbraw/zinc/55/31/74/1132553174.db2.gz BMGYQJMXYFCOSY-UHFFFAOYSA-N 0 1 289.093 3.682 20 0 CHADMN FC(F)(F)Oc1ccc(CN2CCCC2)c(Cl)c1 ZINC001232993862 1132557814 /nfs/dbraw/zinc/55/78/14/1132557814.db2.gz NRYNPKMOBHBHOZ-UHFFFAOYSA-N 0 1 279.689 3.834 20 0 CHADMN CCOC(=O)c1ccsc1CN1CC[C@H]2CCC[C@@H]2C1 ZINC001233018653 1132563407 /nfs/dbraw/zinc/56/34/07/1132563407.db2.gz CRQZMDSDHUXIMN-CHWSQXEVSA-N 0 1 293.432 3.547 20 0 CHADMN CCOC(=O)c1ccsc1CN1CC[C@@H]2CCC[C@H]2C1 ZINC001233018656 1132563595 /nfs/dbraw/zinc/56/35/95/1132563595.db2.gz CRQZMDSDHUXIMN-STQMWFEESA-N 0 1 293.432 3.547 20 0 CHADMN [O-]c1cnc(Cl)cc1C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC001233039460 1132564810 /nfs/dbraw/zinc/56/48/10/1132564810.db2.gz WONXSWSRZQXUBL-AWEZNQCLSA-N 0 1 294.826 3.985 20 0 CHADMN C[N@H+](Cc1cccc([O-])c1F)C12CC3CC(CC(C3)C1)C2 ZINC001233052752 1132567858 /nfs/dbraw/zinc/56/78/58/1132567858.db2.gz VMFPIFJBSIMTFA-UHFFFAOYSA-N 0 1 289.394 3.932 20 0 CHADMN C[N@@H+](Cc1cccc([O-])c1F)C12CC3CC(CC(C3)C1)C2 ZINC001233052752 1132567862 /nfs/dbraw/zinc/56/78/62/1132567862.db2.gz VMFPIFJBSIMTFA-UHFFFAOYSA-N 0 1 289.394 3.932 20 0 CHADMN Oc1cccc(CN2CC[C@@H](c3cccc(F)c3)C2)c1F ZINC001233058292 1132570117 /nfs/dbraw/zinc/57/01/17/1132570117.db2.gz VXTMWQAURWBBOA-CYBMUJFWSA-N 0 1 289.325 3.660 20 0 CHADMN CCc1ccc(Nc2cc(C)nn2-c2ccncc2)cc1 ZINC001173868048 1132570410 /nfs/dbraw/zinc/57/04/10/1132570410.db2.gz FBKJNEWZVFHHBZ-UHFFFAOYSA-N 0 1 278.359 3.882 20 0 CHADMN Cc1cccc2c1CN(Cc1n[nH]c3cc(F)ccc31)C2 ZINC001233118789 1132571268 /nfs/dbraw/zinc/57/12/68/1132571268.db2.gz CEYUNTSOHOKIIS-UHFFFAOYSA-N 0 1 281.334 3.526 20 0 CHADMN CN(C)c1ccc(CN2CCC[C@H]2c2ccccc2)c(F)n1 ZINC001233115771 1132572695 /nfs/dbraw/zinc/57/26/95/1132572695.db2.gz OBRVCOBMQXLXKD-INIZCTEOSA-N 0 1 299.393 3.624 20 0 CHADMN O=C1CCCc2nc(NC=Cc3ccccc3)sc21 ZINC001173870271 1132572817 /nfs/dbraw/zinc/57/28/17/1132572817.db2.gz GYFGUYLOBVITGY-MDZDMXLPSA-N 0 1 270.357 3.745 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1[nH]nc2cc(F)ccc21 ZINC001233126712 1132572832 /nfs/dbraw/zinc/57/28/32/1132572832.db2.gz NMOMAUJUKBJVJD-LBPRGKRZSA-N 0 1 295.361 3.649 20 0 CHADMN Cc1ccc(C)c2nc(Cl)c(CN3C[C@@H]4C[C@@H]4C3)cc12 ZINC001233132434 1132573689 /nfs/dbraw/zinc/57/36/89/1132573689.db2.gz VWYWCKPJZATLMH-BETUJISGSA-N 0 1 286.806 3.957 20 0 CHADMN Cc1cc(CN2CC[C@@H]2c2ccccc2)cnc1C ZINC001233161189 1132575435 /nfs/dbraw/zinc/57/54/35/1132575435.db2.gz WBTBPFUEDORROY-QGZVFWFLSA-N 0 1 252.361 3.645 20 0 CHADMN O=C(Nc1cc2ccccc2s1)c1ccn2cncc2c1 ZINC001151895118 1132575918 /nfs/dbraw/zinc/57/59/18/1132575918.db2.gz JKLHLXXRVIXOIK-UHFFFAOYSA-N 0 1 293.351 3.801 20 0 CHADMN CCCCCN(C)Cc1cc(Cl)cnc1OCC ZINC001233169331 1132577523 /nfs/dbraw/zinc/57/75/23/1132577523.db2.gz MGUDBFKADOTUJZ-UHFFFAOYSA-N 0 1 270.804 3.756 20 0 CHADMN CC[C@@H](C)C1CCC(NC(=O)c2ccc3cncn3c2)CC1 ZINC001152206067 1132578515 /nfs/dbraw/zinc/57/85/15/1132578515.db2.gz CZRLDZCWYDDWQD-VQCLRJIVSA-N 0 1 299.418 3.669 20 0 CHADMN CC[C@H](C)C1CCC(NC(=O)c2ccc3cncn3c2)CC1 ZINC001152206066 1132578742 /nfs/dbraw/zinc/57/87/42/1132578742.db2.gz CZRLDZCWYDDWQD-HLIUYOAVSA-N 0 1 299.418 3.669 20 0 CHADMN Cc1cc(C)c(NC(=O)c2ccc3cncn3c2)cc1C ZINC001152203542 1132578998 /nfs/dbraw/zinc/57/89/98/1132578998.db2.gz VGVBNNGWJRMJRL-UHFFFAOYSA-N 0 1 279.343 3.512 20 0 CHADMN Cc1cc(Nc2cc(C)cc(C)c2)n(-c2ccncc2)n1 ZINC001173828308 1132583160 /nfs/dbraw/zinc/58/31/60/1132583160.db2.gz GDRCGPHZVAQSJD-UHFFFAOYSA-N 0 1 278.359 3.936 20 0 CHADMN CC(C)[C@@H]1CCCCCN1C(=O)c1c(O)cccc1F ZINC001152612548 1132585128 /nfs/dbraw/zinc/58/51/28/1132585128.db2.gz QMOCVZIPWDQXKR-ZDUSSCGKSA-N 0 1 279.355 3.572 20 0 CHADMN CN(Cc1ccc(F)cc1OCc1ccccc1)C1CC1 ZINC001233243910 1132586479 /nfs/dbraw/zinc/58/64/79/1132586479.db2.gz MNDAXJLCELWPJV-UHFFFAOYSA-N 0 1 285.362 3.999 20 0 CHADMN COc1cccnc1CN1CCC(c2cccs2)CC1 ZINC001206644928 1132587410 /nfs/dbraw/zinc/58/74/10/1132587410.db2.gz RUDSYQNQSUVMMJ-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN Cc1cc(C[N@H+](C)[C@H](C)c2cccs2)cc(C)n1 ZINC001204381275 1132590834 /nfs/dbraw/zinc/59/08/34/1132590834.db2.gz BOTMMUZWIYRWHO-CYBMUJFWSA-N 0 1 260.406 3.953 20 0 CHADMN C[N@@H+](Cc1nc2ccccc2o1)Cc1ccc([S-])cc1 ZINC001233261784 1132590716 /nfs/dbraw/zinc/59/07/16/1132590716.db2.gz DIBYSPHWMFQKLS-UHFFFAOYSA-N 0 1 284.384 3.749 20 0 CHADMN [S-]c1ccc(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)cc1 ZINC001233261102 1132591511 /nfs/dbraw/zinc/59/15/11/1132591511.db2.gz BJVMCTZPOMYWQQ-QGZVFWFLSA-N 0 1 299.439 3.766 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)c2[nH]1 ZINC001153614060 1132597379 /nfs/dbraw/zinc/59/73/79/1132597379.db2.gz RJDOFIKUACSDAR-WCQYABFASA-N 0 1 299.418 3.816 20 0 CHADMN Cc1cc(CN2CC=C(c3ccccc3)CC2)sn1 ZINC001233312818 1132598697 /nfs/dbraw/zinc/59/86/97/1132598697.db2.gz NIILOSNVEASLRE-UHFFFAOYSA-N 0 1 270.401 3.741 20 0 CHADMN CC1(C)CCC2(CCN(Cc3ccc(Cl)o3)CC2)O1 ZINC001233316855 1132598921 /nfs/dbraw/zinc/59/89/21/1132598921.db2.gz HAIRXIPEAQBCMZ-UHFFFAOYSA-N 0 1 283.799 3.857 20 0 CHADMN Cc1cnsc1CN1Cc2ccccc2[C@@H](C)C1 ZINC001233318005 1132600042 /nfs/dbraw/zinc/60/00/42/1132600042.db2.gz MCCIZZLVEXNLBG-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN c1ccc(Cc2ccc(CN3C[C@H]4CC[C@@H](C3)O4)cc2)cc1 ZINC001233329694 1132602262 /nfs/dbraw/zinc/60/22/62/1132602262.db2.gz HTABPJBDIQXDHZ-BGYRXZFFSA-N 0 1 293.410 3.641 20 0 CHADMN C[C@H](NC(=O)c1cccc2nc[nH]c21)C1CCCCCC1 ZINC001153920610 1132602979 /nfs/dbraw/zinc/60/29/79/1132602979.db2.gz UPTWXMCSLQGNGL-LBPRGKRZSA-N 0 1 285.391 3.652 20 0 CHADMN COc1cc(F)c(CN2[C@@H](C)CCC[C@@H]2C)cc1F ZINC001233340880 1132604872 /nfs/dbraw/zinc/60/48/72/1132604872.db2.gz UBPZXSMBQZWSSE-QWRGUYRKSA-N 0 1 269.335 3.736 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cnc3cccc(Cl)n23)CC1 ZINC001233356643 1132609573 /nfs/dbraw/zinc/60/95/73/1132609573.db2.gz UBDSFOAERNOGDC-LBPRGKRZSA-N 0 1 277.799 3.610 20 0 CHADMN C[C@H]1CCCN(Cc2cnc3cccc(Cl)n23)CC1 ZINC001233356643 1132609577 /nfs/dbraw/zinc/60/95/77/1132609577.db2.gz UBDSFOAERNOGDC-LBPRGKRZSA-N 0 1 277.799 3.610 20 0 CHADMN CSc1cccc(Cl)c1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001233352797 1132610020 /nfs/dbraw/zinc/61/00/20/1132610020.db2.gz UFLBNKYCEFJJAM-HNNXBMFYSA-N 0 1 297.851 3.817 20 0 CHADMN CSc1cccc(Cl)c1CN1CCC[C@]2(CCO2)C1 ZINC001233352797 1132610026 /nfs/dbraw/zinc/61/00/26/1132610026.db2.gz UFLBNKYCEFJJAM-HNNXBMFYSA-N 0 1 297.851 3.817 20 0 CHADMN CCCC1CCN(Cc2cc(F)c(F)cc2N)CC1 ZINC001233380828 1132613820 /nfs/dbraw/zinc/61/38/20/1132613820.db2.gz FYULPNPFSLFTSO-UHFFFAOYSA-N 0 1 268.351 3.559 20 0 CHADMN COc1cccc(OC)c1Nc1cc(C)nc2ccccc21 ZINC001173921437 1132615255 /nfs/dbraw/zinc/61/52/55/1132615255.db2.gz BIYNFMHDXWZASO-UHFFFAOYSA-N 0 1 294.354 3.726 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1c[nH]c(Br)c1 ZINC001233434555 1132621692 /nfs/dbraw/zinc/62/16/92/1132621692.db2.gz TVRMBCNNOHFGNP-NXEZZACHSA-N 0 1 271.202 3.540 20 0 CHADMN C[C@H]1CN(Cc2cn3cccc(Cl)c3n2)CCC[C@@H]1C ZINC001233420228 1132621748 /nfs/dbraw/zinc/62/17/48/1132621748.db2.gz DPZMELPSQVGQGO-STQMWFEESA-N 0 1 291.826 3.856 20 0 CHADMN Fc1ccc(Nc2ccncc2)c(OCc2ccccc2)c1 ZINC001173885090 1132625255 /nfs/dbraw/zinc/62/52/55/1132625255.db2.gz IMBOZDJVQAAFBX-UHFFFAOYSA-N 0 1 294.329 3.965 20 0 CHADMN FC(F)Oc1ccc(Nc2ccncc2)cc1Cl ZINC001173883816 1132625518 /nfs/dbraw/zinc/62/55/18/1132625518.db2.gz UYWSFRDFDRXHJP-UHFFFAOYSA-N 0 1 270.666 3.502 20 0 CHADMN c1cc(Nc2ccncc2)cc(OC2CCCC2)c1 ZINC001173883678 1132625588 /nfs/dbraw/zinc/62/55/88/1132625588.db2.gz QETPYAJIRNFVPE-UHFFFAOYSA-N 0 1 254.333 3.569 20 0 CHADMN FC[C@H]1CCCN1Cc1ccc2nc(Cl)ccc2c1 ZINC001233446253 1132626164 /nfs/dbraw/zinc/62/61/64/1132626164.db2.gz NDMCSEXGSUGFSA-CYBMUJFWSA-N 0 1 278.758 3.822 20 0 CHADMN CCCN(Cc1ccccc1)Cc1cncc(Cl)n1 ZINC001233448988 1132626252 /nfs/dbraw/zinc/62/62/52/1132626252.db2.gz LXRVTELJNKDBIA-UHFFFAOYSA-N 0 1 275.783 3.542 20 0 CHADMN O=c1cc(Cl)c(O[C@@H]2Cc3cccc4cccc2c34)n[nH]1 ZINC001233587795 1132642029 /nfs/dbraw/zinc/64/20/29/1132642029.db2.gz ZXIXNMBNFNNEKO-CYBMUJFWSA-N 0 1 298.729 3.665 20 0 CHADMN CN(C)Cc1ccccc1Nc1cccc2c1C(=O)CC2 ZINC001173932931 1132646159 /nfs/dbraw/zinc/64/61/59/1132646159.db2.gz VLLPMLYABDDYGP-UHFFFAOYSA-N 0 1 280.371 3.621 20 0 CHADMN Cc1cc2ccccc2c(NCCC(=O)OC(C)(C)C)n1 ZINC001155682153 1132663292 /nfs/dbraw/zinc/66/32/92/1132663292.db2.gz DCWJALNFNDUEOD-UHFFFAOYSA-N 0 1 286.375 3.687 20 0 CHADMN COc1ccc(C)cc1Nc1c(C)nc2ccc(F)cn21 ZINC001173985384 1132664628 /nfs/dbraw/zinc/66/46/28/1132664628.db2.gz DEEJNGBYBDVJTN-UHFFFAOYSA-N 0 1 285.322 3.842 20 0 CHADMN CC(C)(C)c1cccc(NC(=O)c2cccc3cncn32)c1 ZINC001155798995 1132664650 /nfs/dbraw/zinc/66/46/50/1132664650.db2.gz ZYTJNADYEPPVLT-UHFFFAOYSA-N 0 1 293.370 3.884 20 0 CHADMN COC(=O)c1cc(N=C2CCCC2)c(F)cc1Cl ZINC001173998161 1132670306 /nfs/dbraw/zinc/67/03/06/1132670306.db2.gz JVUSYIJXJMLXPR-UHFFFAOYSA-N 0 1 269.703 3.745 20 0 CHADMN CCN1CCC(Oc2nc3cccc(Cl)c3s2)CC1 ZINC001233742748 1132672614 /nfs/dbraw/zinc/67/26/14/1132672614.db2.gz JQSHKRHVMZPQAH-UHFFFAOYSA-N 0 1 296.823 3.813 20 0 CHADMN Cc1cc(Nc2ccc3c(c2)CCO3)c2ccccc2n1 ZINC001174008806 1132675165 /nfs/dbraw/zinc/67/51/65/1132675165.db2.gz KFACYCSRTUKTFY-UHFFFAOYSA-N 0 1 276.339 3.644 20 0 CHADMN Cc1ccc(Nc2cccc(N3CCN(C)CC3)c2)c(C)c1 ZINC001174012710 1132680042 /nfs/dbraw/zinc/68/00/42/1132680042.db2.gz IRTNDNIITVNLPO-UHFFFAOYSA-N 0 1 295.430 3.799 20 0 CHADMN COc1cc2cnc(NC3(C)CCC3)cc2cc1OC ZINC001156073754 1132680173 /nfs/dbraw/zinc/68/01/73/1132680173.db2.gz NGKOYVCDMWSQID-UHFFFAOYSA-N 0 1 272.348 3.607 20 0 CHADMN Cc1ccc(NCCSCc2ccco2)nc1C ZINC001156192052 1132688224 /nfs/dbraw/zinc/68/82/24/1132688224.db2.gz QIZLYMAPOJBFJO-UHFFFAOYSA-N 0 1 262.378 3.637 20 0 CHADMN Cc1cccc2ccnc(NCc3ccc4nonc4c3)c12 ZINC001156267385 1132689039 /nfs/dbraw/zinc/68/90/39/1132689039.db2.gz YVLYECQXUQSGCK-UHFFFAOYSA-N 0 1 290.326 3.692 20 0 CHADMN C[C@H]1CC(C)(C)c2cccc(NC(=O)[C@H]3CCCN3C)c21 ZINC001156312822 1132689645 /nfs/dbraw/zinc/68/96/45/1132689645.db2.gz JWKISNRBXSSGTM-SWLSCSKDSA-N 0 1 286.419 3.504 20 0 CHADMN C(=C/c1ccccc1)\CNc1ccc2c(n1)CCC2 ZINC001156463732 1132699054 /nfs/dbraw/zinc/69/90/54/1132699054.db2.gz RCBSSZPFKAAXAT-VMPITWQZSA-N 0 1 250.345 3.696 20 0 CHADMN CC(CC(=O)OC(C)C)=Nc1ncc(Cl)cc1Cl ZINC001156509602 1132700983 /nfs/dbraw/zinc/70/09/83/1132700983.db2.gz PHSAVZCYXBSTBD-YWEYNIOJSA-N 0 1 289.162 3.656 20 0 CHADMN Nc1ccc2ccn(-c3ccnc4ccccc43)c2c1 ZINC001174037950 1132701445 /nfs/dbraw/zinc/70/14/45/1132701445.db2.gz AAWOTIKSKRLPPU-UHFFFAOYSA-N 0 1 259.312 3.761 20 0 CHADMN CCN(C)c1cc(C)nc(NCc2ccccc2C2CC2)n1 ZINC001156537186 1132703486 /nfs/dbraw/zinc/70/34/86/1132703486.db2.gz GAPGBSHIKSSCQP-UHFFFAOYSA-N 0 1 296.418 3.731 20 0 CHADMN COc1cc(Nc2ccc3c(ccn3C)c2)ncc1C ZINC001174097598 1132714759 /nfs/dbraw/zinc/71/47/59/1132714759.db2.gz QZBLYSPHSIUDEH-UHFFFAOYSA-N 0 1 267.332 3.634 20 0 CHADMN Cn1cncc1Nc1ccc(F)cc1OCc1ccccc1 ZINC001174119105 1132721877 /nfs/dbraw/zinc/72/18/77/1132721877.db2.gz GBAMWFRQCZQQAC-UHFFFAOYSA-N 0 1 297.333 3.882 20 0 CHADMN CCc1ccc(C(=O)NCc2cnc(C(C)C)[nH]2)cc1CC ZINC001157118900 1132722618 /nfs/dbraw/zinc/72/26/18/1132722618.db2.gz HPRKODYPEUXVOB-UHFFFAOYSA-N 0 1 299.418 3.588 20 0 CHADMN CC(C)Oc1ccc(Nc2ccc3nccn3c2)cc1 ZINC001174107453 1132724231 /nfs/dbraw/zinc/72/42/31/1132724231.db2.gz HHMJSSXDSBJLCK-UHFFFAOYSA-N 0 1 267.332 3.865 20 0 CHADMN Fc1ccc([C@@H]2C[C@H]2Nc2ccc3c(n2)CCC3)cc1F ZINC001157299366 1132726483 /nfs/dbraw/zinc/72/64/83/1132726483.db2.gz RTLRDDZRUJNXNP-BLLLJJGKSA-N 0 1 286.325 3.817 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H](N)c1ccc2ccccc2c1 ZINC001157450401 1132732071 /nfs/dbraw/zinc/73/20/71/1132732071.db2.gz AABADEKXAWAWQO-LBTNJELSSA-N 0 1 296.414 3.629 20 0 CHADMN COc1cc(F)ccc1Nc1c(C)nc2ccc(F)cn21 ZINC001174130103 1132738286 /nfs/dbraw/zinc/73/82/86/1132738286.db2.gz VORKKYXCADROOF-UHFFFAOYSA-N 0 1 289.285 3.673 20 0 CHADMN Cc1cnc(N[C@H](c2ccccn2)C(F)(F)F)cc1C ZINC001157686656 1132738976 /nfs/dbraw/zinc/73/89/76/1132738976.db2.gz OJGVSNAYMBOBKJ-CYBMUJFWSA-N 0 1 281.281 3.809 20 0 CHADMN c1cn2cc(Nc3cccc4cnccc43)ccc2n1 ZINC001174135609 1132741853 /nfs/dbraw/zinc/74/18/53/1132741853.db2.gz JZNLAIFLOJRRPF-UHFFFAOYSA-N 0 1 260.300 3.626 20 0 CHADMN CCOC(=O)c1cnc2cc(N[C@@H](C)C(C)(C)C)[nH]cc1-2 ZINC001157878084 1132751089 /nfs/dbraw/zinc/75/10/89/1132751089.db2.gz LXMRTRFTQDXHGF-JTQLQIEISA-N 0 1 289.379 3.586 20 0 CHADMN CC[C@@H](C)N1CCN(C(=O)CCC2CCCCCC2)CC1 ZINC001158146529 1132764941 /nfs/dbraw/zinc/76/49/41/1132764941.db2.gz URVMSBCKAKNCDF-MRXNPFEDSA-N 0 1 294.483 3.680 20 0 CHADMN Clc1cncc(Cl)c1CNc1ccc2c(n1)CCC2 ZINC001158301925 1132769076 /nfs/dbraw/zinc/76/90/76/1132769076.db2.gz SRTGGFXLXLKXSQ-UHFFFAOYSA-N 0 1 294.185 3.884 20 0 CHADMN CC(=O)c1ccc(Cl)cc1Nc1ccc2nccn2c1 ZINC001174279733 1132769334 /nfs/dbraw/zinc/76/93/34/1132769334.db2.gz JHUXJSALBZLLDR-UHFFFAOYSA-N 0 1 285.734 3.934 20 0 CHADMN c1coc(-c2ccc(Nc3ccc4nccn4c3)cc2)n1 ZINC001174279898 1132769446 /nfs/dbraw/zinc/76/94/46/1132769446.db2.gz MRFACXQNGIUPPI-UHFFFAOYSA-N 0 1 276.299 3.733 20 0 CHADMN Cc1ccc2cccnc2c1Nc1ccc2nccn2c1 ZINC001174279263 1132770231 /nfs/dbraw/zinc/77/02/31/1132770231.db2.gz QPONPIFBSZNBRR-UHFFFAOYSA-N 0 1 274.327 3.935 20 0 CHADMN CNc1ccc(Cl)cc1Nc1ccc2nccn2c1 ZINC001174279737 1132770558 /nfs/dbraw/zinc/77/05/58/1132770558.db2.gz JLIGFBHVAULKLU-UHFFFAOYSA-N 0 1 272.739 3.773 20 0 CHADMN c1n[nH]cc1Nc1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC001174293996 1132776711 /nfs/dbraw/zinc/77/67/11/1132776711.db2.gz VRZHFDZSQHIXKP-UHFFFAOYSA-N 0 1 290.370 3.669 20 0 CHADMN Cc1cc2ccccc2c(N[C@H](C)c2cnccn2)n1 ZINC001158596790 1132783505 /nfs/dbraw/zinc/78/35/05/1132783505.db2.gz LHQCNUGCKWBWDJ-GFCCVEGCSA-N 0 1 264.332 3.506 20 0 CHADMN c1cn2cc(Nc3ccc4ncccc4c3)ccc2n1 ZINC001174276257 1132784165 /nfs/dbraw/zinc/78/41/65/1132784165.db2.gz BHXUGLUZOCKLQQ-UHFFFAOYSA-N 0 1 260.300 3.626 20 0 CHADMN Nc1cc(Cl)cc2ccn(-c3ccc4n[nH]cc4c3)c21 ZINC001174276094 1132784989 /nfs/dbraw/zinc/78/49/89/1132784989.db2.gz OJTALGVJAPLVPQ-UHFFFAOYSA-N 0 1 282.734 3.742 20 0 CHADMN Nc1cccc2cccc(Nc3ccc4nccn4c3)c12 ZINC001174277915 1132785542 /nfs/dbraw/zinc/78/55/42/1132785542.db2.gz NIYYXVMUMKZXFB-UHFFFAOYSA-N 0 1 274.327 3.813 20 0 CHADMN CCOC(=O)c1ccc(C)c(Nc2ccc3nccn3c2)c1 ZINC001174278210 1132785668 /nfs/dbraw/zinc/78/56/68/1132785668.db2.gz SYSPFYLKYDFLEE-UHFFFAOYSA-N 0 1 295.342 3.563 20 0 CHADMN Cc1cc(C)nc(N2CCc3cc(F)c(F)cc3C2)c1 ZINC001158802860 1132793642 /nfs/dbraw/zinc/79/36/42/1132793642.db2.gz FVYFWESSICIONP-UHFFFAOYSA-N 0 1 274.314 3.539 20 0 CHADMN FC(F)(F)c1cncc(Nc2cccc3[nH]ncc32)c1 ZINC001174342601 1132800183 /nfs/dbraw/zinc/80/01/83/1132800183.db2.gz CIFIQOCOZNTWLJ-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN c1nc2cc(Nc3cccc4[nH]ncc43)ccc2s1 ZINC001174344327 1132800557 /nfs/dbraw/zinc/80/05/57/1132800557.db2.gz VCZKBOFCHQKDDD-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN COc1ccc2ncc(Nc3cccc4[nH]ncc43)cc2c1 ZINC001174344041 1132800816 /nfs/dbraw/zinc/80/08/16/1132800816.db2.gz VXFVAGOWVDSCCV-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN CCOc1ccc(F)cc1Nc1cccc2[nH]ncc21 ZINC001174343970 1132802240 /nfs/dbraw/zinc/80/22/40/1132802240.db2.gz HTQOZCVHTSDNKV-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN CCNc1ccnc(Cl)c1Nc1cccc2[nH]ncc21 ZINC001174343954 1132802032 /nfs/dbraw/zinc/80/20/32/1132802032.db2.gz VAJAQLSKJISRQD-UHFFFAOYSA-N 0 1 287.754 3.787 20 0 CHADMN c1n[nH]c2cccc(Nc3ccc4ccccc4n3)c12 ZINC001174342990 1132802348 /nfs/dbraw/zinc/80/23/48/1132802348.db2.gz YIZVTAGNKXQQSD-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN COc1ccc(C(C)=O)c(Nc2cccc3[nH]ncc32)c1 ZINC001174345371 1132803758 /nfs/dbraw/zinc/80/37/58/1132803758.db2.gz WYUIFANOJSMPEK-UHFFFAOYSA-N 0 1 281.315 3.518 20 0 CHADMN CCn1ncc2cc(Nc3cccc4[nH]ncc43)ccc21 ZINC001174345189 1132804423 /nfs/dbraw/zinc/80/44/23/1132804423.db2.gz MSOWUHZIZFQAKN-UHFFFAOYSA-N 0 1 277.331 3.676 20 0 CHADMN CC(=O)c1c(F)cc(F)cc1Nc1cccc2[nH]ncc21 ZINC001174345283 1132804883 /nfs/dbraw/zinc/80/48/83/1132804883.db2.gz RLBVUEXUMQEHKV-UHFFFAOYSA-N 0 1 287.269 3.787 20 0 CHADMN O=c1ccc2cccc(Nc3cccc4[nH]ncc43)c2[nH]1 ZINC001174346606 1132805406 /nfs/dbraw/zinc/80/54/06/1132805406.db2.gz ALXAJDFJICRYHS-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN Nc1cc(F)cc(Nc2cccc3[nH]ncc32)c1Cl ZINC001174348260 1132806208 /nfs/dbraw/zinc/80/62/08/1132806208.db2.gz UUUQCLIHGKUWQE-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN CC(C)n1cc(NC2=CCCN(Cc3ccccc3)C2)cn1 ZINC001174392982 1132808840 /nfs/dbraw/zinc/80/88/40/1132808840.db2.gz OOYWKUPBDLWQJI-UHFFFAOYSA-N 0 1 296.418 3.666 20 0 CHADMN Nc1ccc2cc(Nc3ccc4nccn4c3)ccc2c1 ZINC001159175840 1132814326 /nfs/dbraw/zinc/81/43/26/1132814326.db2.gz HCGALMPYDGHDRL-UHFFFAOYSA-N 0 1 274.327 3.813 20 0 CHADMN Fc1ccc(Nc2cc([C@H]3CCCCN3)no2)c(F)c1F ZINC001159309226 1132827270 /nfs/dbraw/zinc/82/72/70/1132827270.db2.gz RHKSVPSXLCYVKO-SECBINFHSA-N 0 1 297.280 3.650 20 0 CHADMN Cc1ccc(Nc2cc([C@@H]3CCCCN3)no2)c(C)c1 ZINC001159308130 1132827471 /nfs/dbraw/zinc/82/74/71/1132827471.db2.gz HBDFHYMGTIQZGO-AWEZNQCLSA-N 0 1 271.364 3.850 20 0 CHADMN Fc1ccc(F)c(Nc2cc([C@@H]3CCCCN3)no2)c1 ZINC001159309688 1132830331 /nfs/dbraw/zinc/83/03/31/1132830331.db2.gz XYMHBBYBAADCID-NSHDSACASA-N 0 1 279.290 3.511 20 0 CHADMN COc1ccc2c(c1)C[C@@H](Nc1ccc(C)c(C)n1)CC2 ZINC001159361204 1132832337 /nfs/dbraw/zinc/83/23/37/1132832337.db2.gz KUOUYUBTJJIFIG-INIZCTEOSA-N 0 1 282.387 3.676 20 0 CHADMN Cc1cc(Nc2cccc(C(C)(C)O)c2)c2ccccc2n1 ZINC001174405017 1132844284 /nfs/dbraw/zinc/84/42/84/1132844284.db2.gz IRPPWQZYVMVTOV-UHFFFAOYSA-N 0 1 292.382 3.936 20 0 CHADMN Cc1cn(-c2ccc(Nc3ccc4c[nH]nc4c3)cc2)cn1 ZINC001174500240 1132861297 /nfs/dbraw/zinc/86/12/97/1132861297.db2.gz METGEFWJBNAADO-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN [O-]c1c(F)cc(Nc2cccc3c2CC[NH2+]C3)cc1Cl ZINC001159548527 1132862219 /nfs/dbraw/zinc/86/22/19/1132862219.db2.gz LPWDIZMAAMMQDN-UHFFFAOYSA-N 0 1 292.741 3.574 20 0 CHADMN Cc1cc(Nc2ccc3c[nH]nc3c2)c(C)cc1O ZINC001174500300 1132863044 /nfs/dbraw/zinc/86/30/44/1132863044.db2.gz PBHAQZOIOPFQEW-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COc1cc(Nc2cccc3[nH]ncc32)ccc1Cl ZINC001159574071 1132863247 /nfs/dbraw/zinc/86/32/47/1132863247.db2.gz JKYUOBSXGIVTMJ-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN c1n[nH]c2cc(Nc3ccc4ccccc4n3)ccc12 ZINC001174498614 1132864981 /nfs/dbraw/zinc/86/49/81/1132864981.db2.gz GPOFZOYRYKVPCI-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN c1[nH]nc2cc(Nc3cccnc3-c3ccccn3)ccc12 ZINC001174499369 1132865944 /nfs/dbraw/zinc/86/59/44/1132865944.db2.gz TYPSYKPYYBJHSS-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN CCOc1ccccc1Nc1ccc2c[nH]nc2c1 ZINC001174499867 1132875534 /nfs/dbraw/zinc/87/55/34/1132875534.db2.gz DKZPEXXNFVDHNP-UHFFFAOYSA-N 0 1 253.305 3.705 20 0 CHADMN COc1ccc(F)c(F)c1Nc1ccc2c[nH]nc2c1 ZINC001159662450 1132885210 /nfs/dbraw/zinc/88/52/10/1132885210.db2.gz YQQIMGCETCRTBZ-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN COc1cc(F)c(Nc2ccc3c[nH]nc3c2)cc1F ZINC001159661856 1132885688 /nfs/dbraw/zinc/88/56/88/1132885688.db2.gz KDVAMCDRKXLZBK-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN COC(=O)c1cc(Nc2ccc3c[nH]nc3c2)c(C)cc1C ZINC001159663335 1132887445 /nfs/dbraw/zinc/88/74/45/1132887445.db2.gz WJXDTMYRTVOVOK-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN CC(C)Oc1cnc(F)c(Nc2ccc3c[nH]nc3c2)c1 ZINC001159663136 1132888358 /nfs/dbraw/zinc/88/83/58/1132888358.db2.gz QUDVKPFZGFSOGJ-UHFFFAOYSA-N 0 1 286.310 3.628 20 0 CHADMN CO[C@@H]1CCOc2c(Nc3ccc4c[nH]nc4c3)cccc21 ZINC001174500839 1132902647 /nfs/dbraw/zinc/90/26/47/1132902647.db2.gz RFNRLRPTPGVPGR-MRXNPFEDSA-N 0 1 295.342 3.777 20 0 CHADMN Cc1cc(N)c(Cl)cc1Nc1ccc2c[nH]nc2c1 ZINC001174501373 1132903406 /nfs/dbraw/zinc/90/34/06/1132903406.db2.gz PQVSYMGRIGDIRU-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(N)cc1F ZINC001159837906 1132914997 /nfs/dbraw/zinc/91/49/97/1132914997.db2.gz UDMUODPXPSAXOG-UHFFFAOYSA-N 0 1 283.306 3.708 20 0 CHADMN CC(C)Oc1ccnc(N[C@@H]2CCc3ccc(O)cc3C2)c1 ZINC001159893193 1132919816 /nfs/dbraw/zinc/91/98/16/1132919816.db2.gz KSIHBBOXRNXUFO-OAHLLOKOSA-N 0 1 298.386 3.544 20 0 CHADMN Cc1cc(Nc2ccc(C)c(C)c2)n(-c2ccncc2)n1 ZINC001174632245 1132934872 /nfs/dbraw/zinc/93/48/72/1132934872.db2.gz CRPJCXWXTKUOBE-UHFFFAOYSA-N 0 1 278.359 3.936 20 0 CHADMN CC(C)Oc1ccnc(N[C@H]2COCc3ccccc32)c1 ZINC001160119848 1132940670 /nfs/dbraw/zinc/94/06/70/1132940670.db2.gz IGFCBHLLYXTYJM-INIZCTEOSA-N 0 1 284.359 3.552 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(N)c(F)c1 ZINC001160208265 1132946012 /nfs/dbraw/zinc/94/60/12/1132946012.db2.gz FSNWSZOKHBFDAK-UHFFFAOYSA-N 0 1 283.306 3.708 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(N)c(C)c1 ZINC001160211953 1132946956 /nfs/dbraw/zinc/94/69/56/1132946956.db2.gz NNKREXSGACOWPT-UHFFFAOYSA-N 0 1 279.343 3.878 20 0 CHADMN C([C@@H]1CCC2(CCCCCC2)O1)N1CCO[C@@H]2CCC[C@@H]21 ZINC001174689649 1132947212 /nfs/dbraw/zinc/94/72/12/1132947212.db2.gz FEVCTQZOTKZRFR-YESZJQIVSA-N 0 1 293.451 3.512 20 0 CHADMN c1nc2cccc(CNc3ccc4c(n3)CCCC4)c2o1 ZINC001160251615 1132951999 /nfs/dbraw/zinc/95/19/99/1132951999.db2.gz AOUIFQGLOTWREC-UHFFFAOYSA-N 0 1 279.343 3.714 20 0 CHADMN COc1cnccc1Nc1cc(-c2cccs2)ccc1N ZINC001160320825 1132961233 /nfs/dbraw/zinc/96/12/33/1132961233.db2.gz ZIMSERZHVHJBKN-UHFFFAOYSA-N 0 1 297.383 3.566 20 0 CHADMN Cc1ccc(N)c(Nc2cc(Cl)cc3[nH]ncc32)c1 ZINC001160335927 1132964079 /nfs/dbraw/zinc/96/40/79/1132964079.db2.gz IMXYDLTYSZIVPK-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN CCCCN(Cc1ccccc1)C(=O)[C@@H](N)c1ccccc1 ZINC001160429121 1132970110 /nfs/dbraw/zinc/97/01/10/1132970110.db2.gz YKITVYFNWXXDSR-SFHVURJKSA-N 0 1 296.414 3.515 20 0 CHADMN Cc1cccc([C@H](C)NC(=O)c2ccc(F)cc2O)c1C ZINC001160774592 1132980674 /nfs/dbraw/zinc/98/06/74/1132980674.db2.gz JQECNYRZBISHKU-LBPRGKRZSA-N 0 1 287.334 3.639 20 0 CHADMN CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(F)cc2O)CC1 ZINC001161191499 1132995968 /nfs/dbraw/zinc/99/59/68/1132995968.db2.gz KBCALGLBMGQJGK-GXTWGEPZSA-N 0 1 293.382 3.866 20 0 CHADMN C[C@@H](Nc1ccc2c(n1)CCCC2)c1ccc2c(c1)OCO2 ZINC001161514822 1133003999 /nfs/dbraw/zinc/00/39/99/1133003999.db2.gz IIZRIDOALCLHLF-GFCCVEGCSA-N 0 1 296.370 3.862 20 0 CHADMN Cc1ccc(CNc2ccc(C3C=NC(=S)N3)cc2)o1 ZINC001161769551 1133028076 /nfs/dbraw/zinc/02/80/76/1133028076.db2.gz SMEFWPBOWNYFJR-UHFFFAOYSA-N 0 1 285.372 3.879 20 0 CHADMN Cc1ccc2c(ccnc2NCc2ncccc2C)c1 ZINC001161880758 1133037403 /nfs/dbraw/zinc/03/74/03/1133037403.db2.gz JARGSMIEEMEHOE-UHFFFAOYSA-N 0 1 263.344 3.859 20 0 CHADMN Cc1ccc2c(ccnc2N[C@H]2CC[C@](C)(O)CC2)c1 ZINC001162354666 1133071488 /nfs/dbraw/zinc/07/14/88/1133071488.db2.gz HEWALDMOYBZODE-CZIWCDLHSA-N 0 1 270.376 3.649 20 0 CHADMN Cc1nc2cc(NC(C)(C)C(=O)c3ccccc3)ccc2[nH]1 ZINC001162634813 1133097467 /nfs/dbraw/zinc/09/74/67/1133097467.db2.gz KVAHOKBGXOZZOV-UHFFFAOYSA-N 0 1 293.370 3.945 20 0 CHADMN CC(C)(C)C(=N)Nc1nccc2c3c([nH]c21)CCCC3 ZINC001162660089 1133102145 /nfs/dbraw/zinc/10/21/45/1133102145.db2.gz CYFPRABEWJUHTF-UHFFFAOYSA-N 0 1 270.380 3.877 20 0 CHADMN Cc1cnccc1CNc1ccc(C2C=NC(=S)N2)cc1 ZINC001162720060 1133105695 /nfs/dbraw/zinc/10/56/95/1133105695.db2.gz MUDXJKDCATYIBZ-UHFFFAOYSA-N 0 1 296.399 3.681 20 0 CHADMN Cc1cc2nccn2cc1NCc1cn(C)c2ccccc12 ZINC001162831798 1133116459 /nfs/dbraw/zinc/11/64/59/1133116459.db2.gz SOKYCAROXGDFGX-UHFFFAOYSA-N 0 1 290.370 3.747 20 0 CHADMN C[C@@H](Nc1ccncc1C(F)(F)F)c1cccs1 ZINC001163084302 1133129632 /nfs/dbraw/zinc/12/96/32/1133129632.db2.gz VZZANTYLIGSNBS-MRVPVSSYSA-N 0 1 272.295 3.757 20 0 CHADMN CC(=O)Nc1ccc([C@H](C)Nc2ccc3c(n2)CCC3)cc1 ZINC001163149789 1133131207 /nfs/dbraw/zinc/13/12/07/1133131207.db2.gz RNQFXGPBILVMTL-LBPRGKRZSA-N 0 1 295.386 3.702 20 0 CHADMN CC(C)c1ccc(CNc2ccc3nc[nH]c3n2)cc1 ZINC001163816825 1133177550 /nfs/dbraw/zinc/17/75/50/1133177550.db2.gz PQVAZCHGTNBTSY-UHFFFAOYSA-N 0 1 266.348 3.693 20 0 CHADMN CC(C)(C)C(=O)CNc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001164004876 1133192101 /nfs/dbraw/zinc/19/21/01/1133192101.db2.gz JLYXXKSSWKMHOG-UHFFFAOYSA-N 0 1 281.359 3.743 20 0 CHADMN FC(F)(F)[C@@H](Nc1cncc2cc[nH]c21)c1cccnc1 ZINC001164183783 1133204338 /nfs/dbraw/zinc/20/43/38/1133204338.db2.gz KGKZCIOJAJFXMC-ZDUSSCGKSA-N 0 1 292.264 3.673 20 0 CHADMN FC(F)(F)[C@H](Nc1ccc2nc[nH]c2c1)c1cccnc1 ZINC001164184110 1133204751 /nfs/dbraw/zinc/20/47/51/1133204751.db2.gz SWUAWBXBYKMOKU-CYBMUJFWSA-N 0 1 292.264 3.673 20 0 CHADMN COc1ccc2c(ccnc2N2CC[C@](C)(F)[C@@H](F)C2)c1 ZINC001164325088 1133212917 /nfs/dbraw/zinc/21/29/17/1133212917.db2.gz AGEVRFXFHMOIAB-HOCLYGCPSA-N 0 1 292.329 3.520 20 0 CHADMN CC(C)(C)OC(=O)N1C=C(Nc2ccco2)CCC1 ZINC001213052497 1133227959 /nfs/dbraw/zinc/22/79/59/1133227959.db2.gz BIFMTTQIZSJZJK-UHFFFAOYSA-N 0 1 264.325 3.564 20 0 CHADMN CC[C@@H](C(=O)N(CC(C)C)c1ccc(C)cc1C)N(C)C ZINC001165263067 1133234329 /nfs/dbraw/zinc/23/43/29/1133234329.db2.gz YOKCFBYHWSTKSV-INIZCTEOSA-N 0 1 290.451 3.633 20 0 CHADMN CC(C)(C)c1ccc(CN2CCc3cnccc3C2)cc1 ZINC001204396972 1133236397 /nfs/dbraw/zinc/23/63/97/1133236397.db2.gz NPSPCGUWGFOPBJ-UHFFFAOYSA-N 0 1 280.415 3.937 20 0 CHADMN C[C@H]1CCN(Cc2ccc(C(C)(C)C)cc2)CCC1=O ZINC001204397450 1133238042 /nfs/dbraw/zinc/23/80/42/1133238042.db2.gz WDHUYXFWIGYTBZ-AWEZNQCLSA-N 0 1 273.420 3.785 20 0 CHADMN FC(F)(F)c1cnccc1NC/C=C/c1ccccc1 ZINC001166097243 1133259400 /nfs/dbraw/zinc/25/94/00/1133259400.db2.gz RAIIWJUGXSGBKF-QPJJXVBHSA-N 0 1 278.277 3.648 20 0 CHADMN CC(C)Oc1ccnc(N(C)Cc2ccsc2)c1 ZINC001166823760 1133289021 /nfs/dbraw/zinc/28/90/21/1133289021.db2.gz WRIMEPQZWHLKHT-UHFFFAOYSA-N 0 1 262.378 3.567 20 0 CHADMN CCc1cc(CN2CCC(Cc3ccccc3)CC2)on1 ZINC001203212041 1133304897 /nfs/dbraw/zinc/30/48/97/1133304897.db2.gz CTGMDDRXWAAYKG-UHFFFAOYSA-N 0 1 284.403 3.692 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@@H]2c2ccccc2OC)[nH]1 ZINC001203243591 1133308141 /nfs/dbraw/zinc/30/81/41/1133308141.db2.gz MTHRDWBNUKOAMR-MRXNPFEDSA-N 0 1 299.418 3.626 20 0 CHADMN CCc1nc(C)c(CN2Cc3ccccc3C(C)(C)C2)[nH]1 ZINC001203248120 1133308453 /nfs/dbraw/zinc/30/84/53/1133308453.db2.gz OSRMTCLCZBRPHW-UHFFFAOYSA-N 0 1 283.419 3.574 20 0 CHADMN CCN(Cc1ccc(C)o1)Cc1cccc(OC)c1 ZINC001203297647 1133311152 /nfs/dbraw/zinc/31/11/52/1133311152.db2.gz QIBBDLXBCZACDT-UHFFFAOYSA-N 0 1 259.349 3.619 20 0 CHADMN C[C@@]1(CF)CCN(Cc2ccccc2Br)C1 ZINC001203320826 1133314756 /nfs/dbraw/zinc/31/47/56/1133314756.db2.gz YOIJWWDCEZFLKB-ZDUSSCGKSA-N 0 1 286.188 3.631 20 0 CHADMN Cc1ccccc1O[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001203353364 1133317385 /nfs/dbraw/zinc/31/73/85/1133317385.db2.gz XERJPDOQBFGGNO-MRXNPFEDSA-N 0 1 285.362 3.787 20 0 CHADMN Fc1cccc(Cl)c1CN1CC[C@@H](COCC2CC2)C1 ZINC001203408612 1133323982 /nfs/dbraw/zinc/32/39/82/1133323982.db2.gz CLEBCFLQGYZWLZ-CYBMUJFWSA-N 0 1 297.801 3.728 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccnc(F)c1 ZINC001203520786 1133335345 /nfs/dbraw/zinc/33/53/45/1133335345.db2.gz XGJMIVFBULUDHA-UHFFFAOYSA-N 0 1 269.279 3.521 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(F)ccn1 ZINC001203520408 1133335798 /nfs/dbraw/zinc/33/57/98/1133335798.db2.gz SLFJEXXVPDJAHC-UHFFFAOYSA-N 0 1 269.279 3.521 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(C)cn1 ZINC001203519305 1133335833 /nfs/dbraw/zinc/33/58/33/1133335833.db2.gz DBNFXPXTVPUWDF-UHFFFAOYSA-N 0 1 265.316 3.690 20 0 CHADMN COc1ccc(OC)c(CN(C)Cc2ccc(C)c(C)c2)c1 ZINC001203531909 1133336792 /nfs/dbraw/zinc/33/67/92/1133336792.db2.gz OGCNCCPPRKCTPQ-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN CCOc1ccccc1CN1CCc2c(C)cccc2C1 ZINC001203534337 1133337070 /nfs/dbraw/zinc/33/70/70/1133337070.db2.gz AQPFJZMYHAUDKK-UHFFFAOYSA-N 0 1 281.399 3.952 20 0 CHADMN Cc1ccc(C)c(CN2CCc3cc4c(cc3C2)OCO4)c1 ZINC001203742610 1133364152 /nfs/dbraw/zinc/36/41/52/1133364152.db2.gz IGNNNZMNFJFCLU-UHFFFAOYSA-N 0 1 295.382 3.590 20 0 CHADMN Cc1cc(C)c(CN2CC[C@](C)(F)[C@@H](F)C2)c(C)c1 ZINC001203742785 1133364206 /nfs/dbraw/zinc/36/42/06/1133364206.db2.gz NESLWIUBBIXAMM-HOTGVXAUSA-N 0 1 267.363 3.884 20 0 CHADMN FC(F)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC001203800602 1133370198 /nfs/dbraw/zinc/37/01/98/1133370198.db2.gz XUUJTDIVQLUUKW-NSHDSACASA-N 0 1 259.727 3.817 20 0 CHADMN C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(Cl)c(Cl)c1 ZINC001203804875 1133371915 /nfs/dbraw/zinc/37/19/15/1133371915.db2.gz ZDWMBYZOEUNQSD-WDEREUQCSA-N 0 1 287.234 3.518 20 0 CHADMN COc1cc(CN2CC=CC2)ccc1OCc1ccccc1 ZINC001203849982 1133375237 /nfs/dbraw/zinc/37/52/37/1133375237.db2.gz XHLKWYNXOAFDNN-UHFFFAOYSA-N 0 1 295.382 3.646 20 0 CHADMN FC(F)(F)c1cccc(CN2CC[C@@H]3CCCO[C@H]3C2)c1 ZINC001203884581 1133380588 /nfs/dbraw/zinc/38/05/88/1133380588.db2.gz CYYUJCMCQZQGHF-ZFWWWQNUSA-N 0 1 299.336 3.706 20 0 CHADMN CCOc1ccc(CN2CCc3cccc(OC)c3C2)cc1 ZINC001203963178 1133389659 /nfs/dbraw/zinc/38/96/59/1133389659.db2.gz NIYWUTCGRJTQMO-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN FC(F)(F)Sc1ccccc1CNCc1ccncc1 ZINC001203975217 1133392054 /nfs/dbraw/zinc/39/20/54/1133392054.db2.gz ADLHXFRJAKZNHQ-UHFFFAOYSA-N 0 1 298.333 3.983 20 0 CHADMN COc1ccc2ccccc2c1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001203987442 1133394687 /nfs/dbraw/zinc/39/46/87/1133394687.db2.gz XLNUYIYRIVWPNG-QRTARXTBSA-N 0 1 285.362 3.638 20 0 CHADMN COc1ccc(CN2CCc3occc3C2)c2ccccc12 ZINC001203996424 1133395836 /nfs/dbraw/zinc/39/58/36/1133395836.db2.gz RTRRBTVMHUNAFZ-UHFFFAOYSA-N 0 1 293.366 4.000 20 0 CHADMN Clc1ccc(O[C@H]2CCCN(Cc3ccc[nH]3)C2)cc1 ZINC001204009447 1133399948 /nfs/dbraw/zinc/39/99/48/1133399948.db2.gz YJNKQWWHIOXSBF-INIZCTEOSA-N 0 1 290.794 3.712 20 0 CHADMN Fc1ccc(F)c(O[C@H]2CCN(Cc3cccs3)C2)c1 ZINC001204015581 1133400062 /nfs/dbraw/zinc/40/00/62/1133400062.db2.gz ZNJOFBUYGXGOKO-LBPRGKRZSA-N 0 1 295.354 3.680 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ncccc2C)c(C)c1 ZINC001204036779 1133401459 /nfs/dbraw/zinc/40/14/59/1133401459.db2.gz DCENRGPAEVKQPC-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN Fc1cccc([C@@H]2CCCN2Cc2ccc3c(c2)OCO3)c1 ZINC001204052921 1133403706 /nfs/dbraw/zinc/40/37/06/1133403706.db2.gz XHSMKYKNTHZMSU-INIZCTEOSA-N 0 1 299.345 3.892 20 0 CHADMN CC(C)c1ccc(CN2CCC[C@H]2c2cnccn2)cc1 ZINC001204166556 1133413817 /nfs/dbraw/zinc/41/38/17/1133413817.db2.gz XQXSPCRLFKYCQE-SFHVURJKSA-N 0 1 281.403 3.937 20 0 CHADMN Cc1ccc(CN2CCC(=O)[C@H](C)C23CCCC3)cc1 ZINC001204173831 1133415566 /nfs/dbraw/zinc/41/55/66/1133415566.db2.gz JIVKPAGZVNEPEM-HNNXBMFYSA-N 0 1 271.404 3.719 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@H]1Cc1ccccn1 ZINC001204205586 1133419169 /nfs/dbraw/zinc/41/91/69/1133419169.db2.gz YMVRXTJUGUABJJ-AWEZNQCLSA-N 0 1 288.341 3.567 20 0 CHADMN CC1(C)OCCC12CCN(Cc1ccc(F)cc1F)CC2 ZINC001204213665 1133419585 /nfs/dbraw/zinc/41/95/85/1133419585.db2.gz USDPACBZIQPARY-UHFFFAOYSA-N 0 1 295.373 3.746 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@@H]1Cc1ccccn1 ZINC001204205587 1133419966 /nfs/dbraw/zinc/41/99/66/1133419966.db2.gz YMVRXTJUGUABJJ-CQSZACIVSA-N 0 1 288.341 3.567 20 0 CHADMN Fc1ccc2[nH]ccc2c1Nc1ccc2nccn2c1 ZINC001204257978 1133425985 /nfs/dbraw/zinc/42/59/85/1133425985.db2.gz XPOKPIMISJPQJT-UHFFFAOYSA-N 0 1 266.279 3.698 20 0 CHADMN CCCn1cc(CN(CC)Cc2ccccc2C)c(C)n1 ZINC001204262181 1133427279 /nfs/dbraw/zinc/42/72/79/1133427279.db2.gz XXNXSSYHZGBPMY-UHFFFAOYSA-N 0 1 285.435 3.932 20 0 CHADMN CCCCCCOc1ccccc1C[N@H+]1CC[C@H]1COC ZINC001204294010 1133431387 /nfs/dbraw/zinc/43/13/87/1133431387.db2.gz KXHAHQCKWOVOTO-KRWDZBQOSA-N 0 1 291.435 3.866 20 0 CHADMN CCCCCCOc1ccccc1CN1CC[C@H]1COC ZINC001204294010 1133431392 /nfs/dbraw/zinc/43/13/92/1133431392.db2.gz KXHAHQCKWOVOTO-KRWDZBQOSA-N 0 1 291.435 3.866 20 0 CHADMN Cc1nn(C)c(CN2CCC[C@H](C(C)C)CC2)c1Cl ZINC001204299307 1133433027 /nfs/dbraw/zinc/43/30/27/1133433027.db2.gz UXCZQHZUYJCMSA-ZDUSSCGKSA-N 0 1 283.847 3.640 20 0 CHADMN Cn1cc(CN2CCCC(F)(F)[C@@H](F)C2)c2ccccc21 ZINC001204314499 1133435511 /nfs/dbraw/zinc/43/55/11/1133435511.db2.gz MHOSTWLWSGTWSJ-HNNXBMFYSA-N 0 1 296.336 3.748 20 0 CHADMN Cn1cc(CN2CCC[C@H]2c2nccs2)c2ccccc21 ZINC001204323772 1133437361 /nfs/dbraw/zinc/43/73/61/1133437361.db2.gz GMXKMTGYWPTIQF-INIZCTEOSA-N 0 1 297.427 3.972 20 0 CHADMN COC(=O)c1ccc(Cl)c(C[N@@H+](CC(C)C)C2CC2)c1 ZINC001204410931 1133444148 /nfs/dbraw/zinc/44/41/48/1133444148.db2.gz JVNVSPZYMPJQSK-UHFFFAOYSA-N 0 1 295.810 3.747 20 0 CHADMN CC1CCN(Cc2ccccc2OC(F)(F)F)CC1 ZINC001204423346 1133446365 /nfs/dbraw/zinc/44/63/65/1133446365.db2.gz AGENMUYBANQZGC-UHFFFAOYSA-N 0 1 273.298 3.817 20 0 CHADMN CCOCC1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC001204438421 1133447503 /nfs/dbraw/zinc/44/75/03/1133447503.db2.gz BLMGVIIMZOKWIS-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN CCN(Cc1ccc(OC(C)C)cc1)Cc1cccnc1 ZINC001204454822 1133449798 /nfs/dbraw/zinc/44/97/98/1133449798.db2.gz IXHFENRYVJPKBN-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN COc1ccc2cc(CN3CCCCC34COC4)ccc2c1 ZINC001204514240 1133456001 /nfs/dbraw/zinc/45/60/01/1133456001.db2.gz DGQINFGWTVUJKT-UHFFFAOYSA-N 0 1 297.398 3.603 20 0 CHADMN COc1ccc2cc(CN3CCCC(=O)[C@@H](C)C3)ccc2c1 ZINC001204516071 1133456447 /nfs/dbraw/zinc/45/64/47/1133456447.db2.gz VJRHQTGNSOTZFG-AWEZNQCLSA-N 0 1 297.398 3.649 20 0 CHADMN C[C@H]1CCCN(Cc2cc(F)c(F)c(F)c2)CC1 ZINC001204525706 1133458015 /nfs/dbraw/zinc/45/80/15/1133458015.db2.gz UOQNYLRKDUFGCA-JTQLQIEISA-N 0 1 257.299 3.726 20 0 CHADMN Cc1cc(CN2CCN(c3ccc(C)cc3)CC2)oc1C ZINC001204531722 1133459809 /nfs/dbraw/zinc/45/98/09/1133459809.db2.gz MSOMSXVUCNTRHT-UHFFFAOYSA-N 0 1 284.403 3.527 20 0 CHADMN COc1ccc(CN2CCS[C@H]3CCCC[C@H]32)c(F)c1 ZINC001204543177 1133461780 /nfs/dbraw/zinc/46/17/80/1133461780.db2.gz MFEDOJOFCMMWPA-CVEARBPZSA-N 0 1 295.423 3.694 20 0 CHADMN COc1cc(CN2CC[C@H](C)C(F)(F)CC2)ccc1F ZINC001204556466 1133463092 /nfs/dbraw/zinc/46/30/92/1133463092.db2.gz GRTVCJNZJLUQLP-NSHDSACASA-N 0 1 287.325 3.702 20 0 CHADMN CC(C)CCCN1CCN(c2ccccc2Cl)CC1 ZINC001204617941 1133467927 /nfs/dbraw/zinc/46/79/27/1133467927.db2.gz KSWCQLOUXTVLFR-UHFFFAOYSA-N 0 1 280.843 3.898 20 0 CHADMN CN(Cc1ccc(-c2cccc(Cl)c2)o1)[C@H]1CCOC1 ZINC001204710143 1133477018 /nfs/dbraw/zinc/47/70/18/1133477018.db2.gz BSBDVEFMTWXCPW-AWEZNQCLSA-N 0 1 291.778 3.821 20 0 CHADMN CCCOc1ccc(C[N@@H+](C)C[C@H]2CCCCO2)cc1C ZINC001204735824 1133479852 /nfs/dbraw/zinc/47/98/52/1133479852.db2.gz FACWLSQIHDXRMZ-QGZVFWFLSA-N 0 1 291.435 3.785 20 0 CHADMN Cc1cccc(CCN(C)Cc2nc3ccccc3[nH]2)c1 ZINC001204786739 1133485758 /nfs/dbraw/zinc/48/57/58/1133485758.db2.gz YPPMTOUGUPKAMY-UHFFFAOYSA-N 0 1 279.387 3.546 20 0 CHADMN CN[C@H](c1nc(-c2ccc3ccn(C)c3c2)no1)C(C)(C)C ZINC001204890801 1133496132 /nfs/dbraw/zinc/49/61/32/1133496132.db2.gz WPRASTMUYXFXMT-CQSZACIVSA-N 0 1 298.390 3.535 20 0 CHADMN CC[C@H]1CN(Cc2cc3c(cccc3O)s2)C[C@H](C)O1 ZINC001204900225 1133497035 /nfs/dbraw/zinc/49/70/35/1133497035.db2.gz YQZSVTHUKXXXPJ-RYUDHWBXSA-N 0 1 291.416 3.606 20 0 CHADMN CN[C@H](c1nc(-c2cccc3occc32)no1)C(C)(C)C ZINC001204894976 1133497134 /nfs/dbraw/zinc/49/71/34/1133497134.db2.gz BAXRLIVJHYUDIN-CYBMUJFWSA-N 0 1 285.347 3.789 20 0 CHADMN CCCOc1ccc(CN2CC[C@H](C)[C@@H](F)C2)cc1C ZINC001204977774 1133511898 /nfs/dbraw/zinc/51/18/98/1133511898.db2.gz YXLKBUMNEKNDLU-BBRMVZONSA-N 0 1 279.399 3.964 20 0 CHADMN Fc1cccc(/C=C/CN2CCN(c3ccccc3)CC2)c1 ZINC001205046257 1133520541 /nfs/dbraw/zinc/52/05/41/1133520541.db2.gz OXYPTYFNEFDKDH-FNORWQNLSA-N 0 1 296.389 3.661 20 0 CHADMN CNc1ccccc1CN(Cc1ccco1)C(C)C ZINC001205061298 1133522762 /nfs/dbraw/zinc/52/27/62/1133522762.db2.gz RLHBPCQWHVLALH-UHFFFAOYSA-N 0 1 258.365 3.732 20 0 CHADMN Cc1cccc(CN(C)Cc2cccc3c2OCO3)c1C ZINC001205103634 1133530471 /nfs/dbraw/zinc/53/04/71/1133530471.db2.gz HLRKMDLJPFUONZ-UHFFFAOYSA-N 0 1 283.371 3.664 20 0 CHADMN CC(C)(C)C1CCN(Cc2c(N)ccnc2Cl)CC1 ZINC001205164651 1133538822 /nfs/dbraw/zinc/53/88/22/1133538822.db2.gz KUWBAQXUQJDGOF-UHFFFAOYSA-N 0 1 281.831 3.575 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1ccc(N)c(F)c1 ZINC001205164705 1133539196 /nfs/dbraw/zinc/53/91/96/1133539196.db2.gz PDNYSGPRNLDFCJ-LBPRGKRZSA-N 0 1 270.351 3.527 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cc(C)co2)cc1 ZINC001205193706 1133544637 /nfs/dbraw/zinc/54/46/37/1133544637.db2.gz XEEVLENSJNOWRX-ZDUSSCGKSA-N 0 1 259.349 3.790 20 0 CHADMN COc1cccc2c1CN(Cc1cccc3[nH]ccc31)C2 ZINC001205297679 1133556176 /nfs/dbraw/zinc/55/61/76/1133556176.db2.gz FKTZDKLNYZGFTJ-UHFFFAOYSA-N 0 1 278.355 3.692 20 0 CHADMN Cc1c(Cl)ccc(CN(C)CC2(CO)CC2)c1Cl ZINC001205457230 1133578851 /nfs/dbraw/zinc/57/88/51/1133578851.db2.gz TXEYBFIANJCAPM-UHFFFAOYSA-N 0 1 288.218 3.506 20 0 CHADMN CCCOc1ccc(CN2CCOC[C@@]2(C)CC)c(C)c1 ZINC001205475855 1133581286 /nfs/dbraw/zinc/58/12/86/1133581286.db2.gz YZENWAXJAPTBLS-GOSISDBHSA-N 0 1 291.435 3.785 20 0 CHADMN CCn1ccc(CN2CC[C@@H](C)C3(CCCCC3)C2)n1 ZINC001205486279 1133581595 /nfs/dbraw/zinc/58/15/95/1133581595.db2.gz LBZHGOQNLASTRP-OAHLLOKOSA-N 0 1 275.440 3.695 20 0 CHADMN CCN1CCN(CC[C@@H](C)CCC=C(C)C)C(C)(C)C1=O ZINC001205495940 1133582997 /nfs/dbraw/zinc/58/29/97/1133582997.db2.gz KCRZRIWGGQHJTE-INIZCTEOSA-N 0 1 294.483 3.702 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H](F)C(F)(F)CC2)c1 ZINC001205616837 1133594604 /nfs/dbraw/zinc/59/46/04/1133594604.db2.gz LDDPXDGLDAZVQD-CYBMUJFWSA-N 0 1 275.289 3.703 20 0 CHADMN Cc1ccc(F)c(CN2CCCC[C@](C)(F)C2)c1 ZINC001205616793 1133595279 /nfs/dbraw/zinc/59/52/79/1133595279.db2.gz KSSRSYYWMNPGGL-HNNXBMFYSA-N 0 1 253.336 3.848 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@H](C(F)F)C2)c1 ZINC001205648569 1133598797 /nfs/dbraw/zinc/59/87/97/1133598797.db2.gz VBWBSYYJNSUDMM-NSHDSACASA-N 0 1 257.299 3.611 20 0 CHADMN Cc1cccnc1C[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC001205769882 1133611201 /nfs/dbraw/zinc/61/12/01/1133611201.db2.gz IMJJOVLHWPFBFJ-AWEZNQCLSA-N 0 1 252.361 3.509 20 0 CHADMN Cc1cccnc1CN1CCC[C@@H]1c1ccccc1F ZINC001205800230 1133615120 /nfs/dbraw/zinc/61/51/20/1133615120.db2.gz OAYFURFKHCRXOD-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cnccc1CN1CCCC[C@H]1c1cccnc1 ZINC001205850461 1133621895 /nfs/dbraw/zinc/62/18/95/1133621895.db2.gz IZRCFTJLMFZKOQ-KRWDZBQOSA-N 0 1 267.376 3.512 20 0 CHADMN C[C@@H]1CCCN(Cc2cncc(Br)c2)C[C@@H]1C ZINC001206098651 1133656423 /nfs/dbraw/zinc/65/64/23/1133656423.db2.gz OWZFQMRCBGFRFZ-NEPJUHHUSA-N 0 1 297.240 3.712 20 0 CHADMN Cc1ccc(/C=C/c2cncc(CN(C)C)c2)cc1 ZINC001206167848 1133666100 /nfs/dbraw/zinc/66/61/00/1133666100.db2.gz CCQRRLUPTUIKNM-CMDGGOBGSA-N 0 1 252.361 3.622 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1sc(C)nc1C ZINC001206179578 1133667154 /nfs/dbraw/zinc/66/71/54/1133667154.db2.gz WIZWWWBGICCLAS-LBPRGKRZSA-N 0 1 290.432 3.962 20 0 CHADMN CC(C)C[C@@H]1C[C@H]1NCc1c(Cl)ccnc1Cl ZINC001206225024 1133672401 /nfs/dbraw/zinc/67/24/01/1133672401.db2.gz XZSVDBAJIOWPIJ-BXKDBHETSA-N 0 1 273.207 3.913 20 0 CHADMN Cc1cc(CN2CC(c3ccccc3)(C(C)C)C2)sn1 ZINC001206320541 1133688548 /nfs/dbraw/zinc/68/85/48/1133688548.db2.gz JWSDUAMGBVEJSZ-UHFFFAOYSA-N 0 1 286.444 3.861 20 0 CHADMN c1cc2c(cc1CN1CCOC[C@H]1C1CCC1)CCCC2 ZINC001206404387 1133698636 /nfs/dbraw/zinc/69/86/36/1133698636.db2.gz VFMDSCANELZTOI-IBGZPJMESA-N 0 1 285.431 3.566 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1cc2n[nH]cc2c(F)c1 ZINC001206579067 1133720661 /nfs/dbraw/zinc/72/06/61/1133720661.db2.gz AYVHEYPGPZQDMP-UHFFFAOYSA-N 0 1 266.279 3.554 20 0 CHADMN CCc1ccc(C)nc1N[C@@H]1CC[C@H](C)SC1 ZINC001206661045 1133731586 /nfs/dbraw/zinc/73/15/86/1133731586.db2.gz NLWCZHGMRHCLJW-WCQYABFASA-N 0 1 250.411 3.648 20 0 CHADMN Cc1ccc(CC2CN(Cc3ccnn3C3CCC3)C2)cc1 ZINC001206694641 1133733080 /nfs/dbraw/zinc/73/30/80/1133733080.db2.gz IAQUEARNSKGAMH-UHFFFAOYSA-N 0 1 295.430 3.591 20 0 CHADMN CCC(F)(F)CN[C@@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001206691560 1133733784 /nfs/dbraw/zinc/73/37/84/1133733784.db2.gz JWUCUACQWRVGGB-GDBMZVCRSA-N 0 1 296.405 3.674 20 0 CHADMN COc1ccc2c(c1)CN(Cc1ccc(C)cc1OC)CC2 ZINC001206742139 1133738569 /nfs/dbraw/zinc/73/85/69/1133738569.db2.gz XBFWOEIQUPNIQJ-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN Oc1cc(F)c(-c2ccnc(-c3ccccc3)n2)cc1F ZINC001206756016 1133742632 /nfs/dbraw/zinc/74/26/32/1133742632.db2.gz UMAXKAPXVDAHAD-UHFFFAOYSA-N 0 1 284.265 3.794 20 0 CHADMN CSc1cc(-c2cc(F)c(O)cc2F)ncc1F ZINC001206755577 1133742730 /nfs/dbraw/zinc/74/27/30/1133742730.db2.gz MYAYGXARGRHQKT-UHFFFAOYSA-N 0 1 271.263 3.593 20 0 CHADMN COc1ccc2cnc(-c3cc(F)c(O)cc3F)cc2c1 ZINC001206760833 1133743142 /nfs/dbraw/zinc/74/31/42/1133743142.db2.gz DUTWHRIOBBQJNG-UHFFFAOYSA-N 0 1 287.265 3.894 20 0 CHADMN COc1cc(C)ccc1CN1CCc2ccsc2C1 ZINC001206762050 1133743540 /nfs/dbraw/zinc/74/35/40/1133743540.db2.gz CLIBNDOURQRJPG-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN CCO[C@H]1C[C@@H](NCC(F)(F)C(C)(C)C)C12CCCC2 ZINC001206763145 1133744212 /nfs/dbraw/zinc/74/42/12/1133744212.db2.gz VJTBWFVVIMNHPT-OLZOCXBDSA-N 0 1 289.410 3.995 20 0 CHADMN Oc1cc(F)c(-c2ncccc2C(F)F)cc1F ZINC001206768179 1133745972 /nfs/dbraw/zinc/74/59/72/1133745972.db2.gz PQRXVFLICCCMDZ-UHFFFAOYSA-N 0 1 257.186 3.670 20 0 CHADMN Oc1cc(F)c(-c2cnc3cc(F)c(F)cc3n2)cc1F ZINC001206775849 1133746512 /nfs/dbraw/zinc/74/65/12/1133746512.db2.gz OCIUJINYKWEJOQ-UHFFFAOYSA-N 0 1 294.207 3.559 20 0 CHADMN CCCSc1cncc(-c2cc(F)c(O)cc2F)n1 ZINC001206775983 1133747033 /nfs/dbraw/zinc/74/70/33/1133747033.db2.gz UGGIKXWGPNXIEZ-UHFFFAOYSA-N 0 1 282.315 3.630 20 0 CHADMN CCSc1ccnc(-c2cc(F)c(O)cc2F)c1 ZINC001206775742 1133747090 /nfs/dbraw/zinc/74/70/90/1133747090.db2.gz IYUSXHYGOAQZMS-UHFFFAOYSA-N 0 1 267.300 3.844 20 0 CHADMN Oc1cc(F)c(-c2cncc(-c3cccs3)n2)cc1F ZINC001206775816 1133747330 /nfs/dbraw/zinc/74/73/30/1133747330.db2.gz MOGNHLFTHYCRPX-UHFFFAOYSA-N 0 1 290.294 3.856 20 0 CHADMN CN(Cc1nc2ccc(Cl)cc2n1C)C[C@@H]1CC1(C)C ZINC001206808663 1133750812 /nfs/dbraw/zinc/75/08/12/1133750812.db2.gz GVEMFLGLAXDNDN-NSHDSACASA-N 0 1 291.826 3.705 20 0 CHADMN Cc1cc(CN2CCC3(C=Cc4ccccc43)CC2)no1 ZINC001206815752 1133751743 /nfs/dbraw/zinc/75/17/43/1133751743.db2.gz SPUJBFGUCLBJCP-UHFFFAOYSA-N 0 1 280.371 3.544 20 0 CHADMN COc1ccc(-c2cc(CN(CC3CC3)C3CC3)no2)cc1 ZINC001206830952 1133753589 /nfs/dbraw/zinc/75/35/89/1133753589.db2.gz KGMPZHYFEYIRBV-UHFFFAOYSA-N 0 1 298.386 3.725 20 0 CHADMN Fc1ccc(-c2cc(CN3CCCCC34CC4)no2)cc1 ZINC001206837199 1133754194 /nfs/dbraw/zinc/75/41/94/1133754194.db2.gz XYKCHDBGACWLSR-UHFFFAOYSA-N 0 1 286.350 3.999 20 0 CHADMN Cc1ccnc(CN2CCC[C@H](OCc3ccccc3)C2)c1 ZINC001206853509 1133756712 /nfs/dbraw/zinc/75/67/12/1133756712.db2.gz XZKIVFRXHSLQMS-IBGZPJMESA-N 0 1 296.414 3.571 20 0 CHADMN Cc1ccnc(CN2CCC[C@H](Sc3ccncc3)C2)c1 ZINC001206853837 1133757071 /nfs/dbraw/zinc/75/70/71/1133757071.db2.gz CORMSTRUSLTMPT-KRWDZBQOSA-N 0 1 299.443 3.542 20 0 CHADMN Cc1ccnc(CN2CCC[C@@H](Oc3ccccc3C)C2)c1 ZINC001206855169 1133757268 /nfs/dbraw/zinc/75/72/68/1133757268.db2.gz QCXIDLQKTOJWNK-GOSISDBHSA-N 0 1 296.414 3.742 20 0 CHADMN CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(=O)[nH]2)cc1 ZINC001207070655 1133764773 /nfs/dbraw/zinc/76/47/73/1133764773.db2.gz AUMMHPVVUMAULE-KRWDZBQOSA-N 0 1 298.386 3.523 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2cccc(=O)[nH]2)cc1 ZINC001207070655 1133764781 /nfs/dbraw/zinc/76/47/81/1133764781.db2.gz AUMMHPVVUMAULE-KRWDZBQOSA-N 0 1 298.386 3.523 20 0 CHADMN CCOc1ccc(CN2CC(c3ccccc3)C2)cc1F ZINC001207110336 1133766703 /nfs/dbraw/zinc/76/67/03/1133766703.db2.gz GESXGDYKXVJYGN-UHFFFAOYSA-N 0 1 285.362 3.824 20 0 CHADMN CN(Cc1c(F)cccc1OC(F)F)C[C@@H]1CC1(C)C ZINC001207118181 1133768521 /nfs/dbraw/zinc/76/85/21/1133768521.db2.gz JNWIXXZYDPTHTJ-JTQLQIEISA-N 0 1 287.325 3.905 20 0 CHADMN Cc1cncc(CN2CCC[C@H](Sc3ccncc3)C2)c1 ZINC001207157118 1133773426 /nfs/dbraw/zinc/77/34/26/1133773426.db2.gz WCPLYIIPTOHZRQ-KRWDZBQOSA-N 0 1 299.443 3.542 20 0 CHADMN Clc1ccnc(Cl)c1CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC001207168181 1133773583 /nfs/dbraw/zinc/77/35/83/1133773583.db2.gz QFPCUVSPTQDFNT-PHIMTYICSA-N 0 1 283.202 3.786 20 0 CHADMN Clc1ccc([C@H]2C[C@@H]2CN2CCOCC23CCC3)cc1 ZINC001207193201 1133779201 /nfs/dbraw/zinc/77/92/01/1133779201.db2.gz SDUMENGRMLEKIM-GDBMZVCRSA-N 0 1 291.822 3.698 20 0 CHADMN CC1(C)C[C@H](CN2Cc3cccc(Cl)c3C2)CCO1 ZINC001207362109 1133794789 /nfs/dbraw/zinc/79/47/89/1133794789.db2.gz FUVPJNOPHFOAGT-GFCCVEGCSA-N 0 1 279.811 3.861 20 0 CHADMN Clc1cccc(CCN2CCOc3ccccc3C2)c1 ZINC001207422119 1133798491 /nfs/dbraw/zinc/79/84/91/1133798491.db2.gz AMCARKSYDQSMCQ-UHFFFAOYSA-N 0 1 287.790 3.777 20 0 CHADMN CC(C)c1ccc(CCN2CCC(=O)[C@@H](C)CC2)cc1 ZINC001207518475 1133814626 /nfs/dbraw/zinc/81/46/26/1133814626.db2.gz DLLBGLJUPPJFFZ-HNNXBMFYSA-N 0 1 273.420 3.654 20 0 CHADMN C[C@@]1(F)CCN(CCCc2cccc(F)c2)C[C@H]1F ZINC001207599751 1133826866 /nfs/dbraw/zinc/82/68/66/1133826866.db2.gz VWJXTTDZOISNSW-HUUCEWRRSA-N 0 1 271.326 3.530 20 0 CHADMN C[C@H]1CCN(CCCc2c(F)cccc2Cl)CCO1 ZINC001207623130 1133833258 /nfs/dbraw/zinc/83/32/58/1133833258.db2.gz RLAWTYPOWNTPDU-LBPRGKRZSA-N 0 1 285.790 3.523 20 0 CHADMN Cc1cccnc1[C@H](C)NCc1coc2ccccc12 ZINC001207783409 1133847414 /nfs/dbraw/zinc/84/74/14/1133847414.db2.gz FZPBLDCATCQNFA-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN CCN(Cc1nc2c(s1)C[C@@H](C)CC2)CC1(C)CC1 ZINC001207814423 1133849719 /nfs/dbraw/zinc/84/97/19/1133849719.db2.gz XLMHAQFWRADFSB-LBPRGKRZSA-N 0 1 278.465 3.890 20 0 CHADMN c1ccc([C@@H]2CN(CC3(c4ccccc4)CC3)CCO2)cc1 ZINC001207838805 1133850808 /nfs/dbraw/zinc/85/08/08/1133850808.db2.gz TUPAQJCRSMYSCH-IBGZPJMESA-N 0 1 293.410 3.792 20 0 CHADMN CC(C)c1ccc(C[C@@H](C)CN2CCOCC23CC3)cc1 ZINC001207937304 1133866413 /nfs/dbraw/zinc/86/64/13/1133866413.db2.gz PZDMTIPVJMLFHP-MRXNPFEDSA-N 0 1 287.447 3.853 20 0 CHADMN Cc1ccc2c(c1)CCN(CCc1c(F)cccc1F)C2 ZINC001208117688 1133878851 /nfs/dbraw/zinc/87/88/51/1133878851.db2.gz FINVAWXKFCXOOU-UHFFFAOYSA-N 0 1 287.353 3.874 20 0 CHADMN CC/C=C\CCCN1CCO[C@@H](c2ccccc2)C1 ZINC001208135787 1133882169 /nfs/dbraw/zinc/88/21/69/1133882169.db2.gz JORZHFXVNHUMFX-CWIOURORSA-N 0 1 259.393 3.806 20 0 CHADMN CC/C=C\CCCN1Cc2ccc(C(=O)OC)cc2C1 ZINC001208139399 1133885033 /nfs/dbraw/zinc/88/50/33/1133885033.db2.gz YYEDTJKXKSTOOX-PLNGDYQASA-N 0 1 273.376 3.535 20 0 CHADMN Cc1ccc([C@H](C)CCN2CCC(=O)[C@@H]3CCCC[C@H]32)o1 ZINC001208150210 1133885693 /nfs/dbraw/zinc/88/56/93/1133885693.db2.gz DPOAUGVHIGPHTM-FVQBIDKESA-N 0 1 289.419 3.915 20 0 CHADMN Cc1ccc([C@H](C)CCN2CC[C@@H](C)[C@H](F)C2)o1 ZINC001208153490 1133886012 /nfs/dbraw/zinc/88/60/12/1133886012.db2.gz ADQSQXRJNLQGID-YRGRVCCFSA-N 0 1 253.361 3.762 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)OC)N(C)CC[C@H](C)c1ccc(C)o1 ZINC001208164656 1133890782 /nfs/dbraw/zinc/89/07/82/1133890782.db2.gz ALBAFOIFYWKOQN-XEZPLFJOSA-N 0 1 295.423 3.601 20 0 CHADMN Fc1cccc(CCN2CCC[C@@H]2c2nccs2)c1 ZINC001208198948 1133906177 /nfs/dbraw/zinc/90/61/77/1133906177.db2.gz PBTJHECAYBLLFL-CQSZACIVSA-N 0 1 276.380 3.662 20 0 CHADMN COc1ccc2c(c1)CN(CCCc1ccccc1OC)C2 ZINC001208838310 1133949831 /nfs/dbraw/zinc/94/98/31/1133949831.db2.gz CTRWYSLWUYJBSZ-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN CC1(C)CN(CCCc2ccccc2Br)C1 ZINC001208845072 1133952218 /nfs/dbraw/zinc/95/22/18/1133952218.db2.gz BVMNEMAIDZWTHA-UHFFFAOYSA-N 0 1 282.225 3.724 20 0 CHADMN Fc1ccc(CC[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c(Cl)c1 ZINC001209110380 1133975614 /nfs/dbraw/zinc/97/56/14/1133975614.db2.gz UTAHTMPIAJQYCT-CZUORRHYSA-N 0 1 297.801 3.523 20 0 CHADMN Fc1ccc(CCN2CC[C@H]3CCCO[C@@H]3C2)c(Cl)c1 ZINC001209110380 1133975616 /nfs/dbraw/zinc/97/56/16/1133975616.db2.gz UTAHTMPIAJQYCT-CZUORRHYSA-N 0 1 297.801 3.523 20 0 CHADMN Fc1ccc(CC[N@H+]2CC[C@H]3CCCO[C@H]3C2)c(Cl)c1 ZINC001209110379 1133976408 /nfs/dbraw/zinc/97/64/08/1133976408.db2.gz UTAHTMPIAJQYCT-CJNGLKHVSA-N 0 1 297.801 3.523 20 0 CHADMN Fc1ccc(CCN2CC[C@H]3CCCO[C@H]3C2)c(Cl)c1 ZINC001209110379 1133976411 /nfs/dbraw/zinc/97/64/11/1133976411.db2.gz UTAHTMPIAJQYCT-CJNGLKHVSA-N 0 1 297.801 3.523 20 0 CHADMN F[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 ZINC001209119206 1133977413 /nfs/dbraw/zinc/97/74/13/1133977413.db2.gz BFQFCNQIHQCINY-CYBMUJFWSA-N 0 1 275.289 3.682 20 0 CHADMN C[C@@H]1CCN(CCc2cccc(C(F)(F)F)c2)C[C@H]1F ZINC001209122461 1133977657 /nfs/dbraw/zinc/97/76/57/1133977657.db2.gz NNLANIBIQKBFFK-BXUZGUMPSA-N 0 1 289.316 3.928 20 0 CHADMN CC1(C)CN(CCc2ccc(C(F)(F)F)cc2)CCC1=O ZINC001209126294 1133978611 /nfs/dbraw/zinc/97/86/11/1133978611.db2.gz RJBYTGKNYPOGDX-UHFFFAOYSA-N 0 1 299.336 3.549 20 0 CHADMN Fc1cccc2c1CN(CC1Cc3ccccc3C1)C2 ZINC001209321344 1134006147 /nfs/dbraw/zinc/00/61/47/1134006147.db2.gz GSQBWJMBPGCKTN-UHFFFAOYSA-N 0 1 267.347 3.556 20 0 CHADMN Cc1cccc2c(CN3CCc4c(O)cccc4C3)c[nH]c21 ZINC001209482265 1134026601 /nfs/dbraw/zinc/02/66/01/1134026601.db2.gz JCLJSMTVYZOKGO-UHFFFAOYSA-N 0 1 292.382 3.740 20 0 CHADMN CN(CC/C=C/c1cccnc1)Cc1cnc(Cl)s1 ZINC001209473138 1134026978 /nfs/dbraw/zinc/02/69/78/1134026978.db2.gz SGBFHMGZMNVANP-GORDUTHDSA-N 0 1 293.823 3.727 20 0 CHADMN Cc1ccc2[nH]cc(CN3Cc4ccccc4C3)c2c1 ZINC001209489960 1134028311 /nfs/dbraw/zinc/02/83/11/1134028311.db2.gz PFYPHKJUMAKOBQ-UHFFFAOYSA-N 0 1 262.356 3.992 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1cc2c(cn1)OCCC2 ZINC001209499736 1134029663 /nfs/dbraw/zinc/02/96/63/1134029663.db2.gz LAGJLVIDKPEWOL-CQSZACIVSA-N 0 1 294.398 3.526 20 0 CHADMN Cc1ccc2[nH]cc(CN3CCOc4ccccc4C3)c2c1 ZINC001209497056 1134030513 /nfs/dbraw/zinc/03/05/13/1134030513.db2.gz MXQCKTXVNYYCIG-UHFFFAOYSA-N 0 1 292.382 3.871 20 0 CHADMN Cc1cccc2c1CN(Cc1ccc3cc[nH]c3c1)C2 ZINC001209508814 1134031549 /nfs/dbraw/zinc/03/15/49/1134031549.db2.gz BDOHYIRRTVUWIZ-UHFFFAOYSA-N 0 1 262.356 3.992 20 0 CHADMN Fc1cccc2c1CCN(Cc1ccc3cc[nH]c3c1)C2 ZINC001209515986 1134031985 /nfs/dbraw/zinc/03/19/85/1134031985.db2.gz PDHJBPKXOUMFGK-UHFFFAOYSA-N 0 1 280.346 3.865 20 0 CHADMN O=C1CCN(Cc2ccc3cc[nH]c3c2)[C@H]2CCCC[C@@H]12 ZINC001209507315 1134032545 /nfs/dbraw/zinc/03/25/45/1134032545.db2.gz IUMJKOUZCPUYLO-WBVHZDCISA-N 0 1 282.387 3.502 20 0 CHADMN Cc1cc(Cl)ncc1CN1CC[C@H](C)C[C@H]1C ZINC001209636657 1134044147 /nfs/dbraw/zinc/04/41/47/1134044147.db2.gz ZHYYPFLLRAXIME-CMPLNLGQSA-N 0 1 252.789 3.664 20 0 CHADMN Cn1nc2ccccc2c1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC001209542113 1134035828 /nfs/dbraw/zinc/03/58/28/1134035828.db2.gz GAIIUXTXQDYOLY-YOEHRIQHSA-N 0 1 283.419 3.728 20 0 CHADMN Cc1cc(Cl)ncc1CN1CC[C@@H](C)C[C@@H]1C ZINC001209636659 1134045589 /nfs/dbraw/zinc/04/55/89/1134045589.db2.gz ZHYYPFLLRAXIME-PWSUYJOCSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2c(C)[nH]c3ncccc23)no1 ZINC001209587846 1134040028 /nfs/dbraw/zinc/04/00/28/1134040028.db2.gz ZELLZEBCXKDQLJ-MRXNPFEDSA-N 0 1 296.374 3.505 20 0 CHADMN Cc1cc(Cl)ncc1CN1CCC(C)(C)CC1 ZINC001209636801 1134045480 /nfs/dbraw/zinc/04/54/80/1134045480.db2.gz KOEBYLQUFCMIJP-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN COc1cc(CN2C[C@@H]3[C@H](C2)C3(C)C)c(F)cc1Cl ZINC001209667274 1134049078 /nfs/dbraw/zinc/04/90/78/1134049078.db2.gz GGKFBNWQJRHBFQ-PHIMTYICSA-N 0 1 283.774 3.576 20 0 CHADMN Clc1ccc2[nH]c(C[N@H+]3CC[C@@]4(CCCO4)C3)cc2c1 ZINC001209720724 1134054000 /nfs/dbraw/zinc/05/40/00/1134054000.db2.gz QHTDFOAKHTYFRA-INIZCTEOSA-N 0 1 290.794 3.576 20 0 CHADMN Clc1ccc2[nH]c(CN3CC(c4cccnc4)C3)cc2c1 ZINC001209721842 1134054428 /nfs/dbraw/zinc/05/44/28/1134054428.db2.gz QQTGKZCNDRHLDZ-UHFFFAOYSA-N 0 1 297.789 3.816 20 0 CHADMN Cc1cccn2cc(CN3CC[C@H](C)C(F)(F)CC3)nc12 ZINC001209735052 1134055526 /nfs/dbraw/zinc/05/55/26/1134055526.db2.gz DTIGASPKOGUJHS-ZDUSSCGKSA-N 0 1 293.361 3.510 20 0 CHADMN CCCO[C@@H]1CCN(Cc2cc3cc(Cl)ccc3[nH]2)C1 ZINC001209724101 1134056060 /nfs/dbraw/zinc/05/60/60/1134056060.db2.gz WPMUZHRLFGNRDP-OAHLLOKOSA-N 0 1 292.810 3.822 20 0 CHADMN Clc1ccc2[nH]nc(C[NH+]3CCCCCC3)c2c1 ZINC001209751921 1134056846 /nfs/dbraw/zinc/05/68/46/1134056846.db2.gz XRTLZQSDSIJOJM-UHFFFAOYSA-N 0 1 263.772 3.592 20 0 CHADMN Clc1ccc2n[nH]c(CN3CCCCCC3)c2c1 ZINC001209751921 1134056850 /nfs/dbraw/zinc/05/68/50/1134056850.db2.gz XRTLZQSDSIJOJM-UHFFFAOYSA-N 0 1 263.772 3.592 20 0 CHADMN Clc1ccc2[nH]nc(CN3CCCCCC3)c2c1 ZINC001209751921 1134056857 /nfs/dbraw/zinc/05/68/57/1134056857.db2.gz XRTLZQSDSIJOJM-UHFFFAOYSA-N 0 1 263.772 3.592 20 0 CHADMN Clc1ccc2n[nH]c(CN3CC4(C3)CCCC4)c2c1 ZINC001209753180 1134057177 /nfs/dbraw/zinc/05/71/77/1134057177.db2.gz PRXYYXNCMRHNBD-UHFFFAOYSA-N 0 1 275.783 3.592 20 0 CHADMN C[C@H]1CCN(Cc2[nH]nc3ccc(Cl)cc32)CC1(F)F ZINC001209752315 1134057389 /nfs/dbraw/zinc/05/73/89/1134057389.db2.gz GUPSRAFLXLMZHH-VIFPVBQESA-N 0 1 299.752 3.693 20 0 CHADMN C[C@@H]1CCC[N@H+](Cc2n[nH]c3ccc(Cl)cc32)[C@@H]1C ZINC001209755397 1134057574 /nfs/dbraw/zinc/05/75/74/1134057574.db2.gz JFGYJZQQSJMYDR-GHMZBOCLSA-N 0 1 277.799 3.837 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)[C@@H]1C ZINC001209755397 1134057581 /nfs/dbraw/zinc/05/75/81/1134057581.db2.gz JFGYJZQQSJMYDR-GHMZBOCLSA-N 0 1 277.799 3.837 20 0 CHADMN C[C@@H]1CCCN(Cc2n[nH]c3ccc(Cl)cc32)[C@@H]1C ZINC001209755397 1134057588 /nfs/dbraw/zinc/05/75/88/1134057588.db2.gz JFGYJZQQSJMYDR-GHMZBOCLSA-N 0 1 277.799 3.837 20 0 CHADMN CCc1ccc(C)nc1Nc1ccc2nc[nH]c2c1 ZINC001209841473 1134078629 /nfs/dbraw/zinc/07/86/29/1134078629.db2.gz QEILDVAHJHDBAY-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN c1nc2ccc(Nc3cc(C4CCC4)no3)cc2[nH]1 ZINC001209842957 1134078720 /nfs/dbraw/zinc/07/87/20/1134078720.db2.gz SASXATZJSSGARN-UHFFFAOYSA-N 0 1 254.293 3.562 20 0 CHADMN c1nc2ccc(Nc3ccc4ccccc4n3)cc2[nH]1 ZINC001209841587 1134078996 /nfs/dbraw/zinc/07/89/96/1134078996.db2.gz WTLBTDRWXOIXEC-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN Cc1cnn(C2CCC2)c1Nc1ccc2nc[nH]c2c1 ZINC001209847241 1134080890 /nfs/dbraw/zinc/08/08/90/1134080890.db2.gz CZEZCAAJEDOHJP-UHFFFAOYSA-N 0 1 267.336 3.536 20 0 CHADMN c1nc2ccc(Nc3ccc4ncccc4c3)cc2[nH]1 ZINC001209848152 1134081807 /nfs/dbraw/zinc/08/18/07/1134081807.db2.gz ITOOJWZSGYTPFY-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN COC(=O)c1c(C)ccc(Nc2ccc3nc[nH]c3c2)c1F ZINC001209851879 1134085865 /nfs/dbraw/zinc/08/58/65/1134085865.db2.gz ZKTLHEDFXMVIKE-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN CCOc1cccc(F)c1Nc1ccc2nc[nH]c2c1 ZINC001209851397 1134086321 /nfs/dbraw/zinc/08/63/21/1134086321.db2.gz SYPYGPHMBDJOBE-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN CC1(c2ccc(Nc3ccc4nc[nH]c4c3)cc2)COC1 ZINC001209851592 1134086643 /nfs/dbraw/zinc/08/66/43/1134086643.db2.gz WUEROCOQFNXFJB-UHFFFAOYSA-N 0 1 279.343 3.594 20 0 CHADMN CCCOc1ccc(Nc2cc(OC)c(C)cn2)cc1 ZINC001209865265 1134088824 /nfs/dbraw/zinc/08/88/24/1134088824.db2.gz OHFWJQJRSWISJI-UHFFFAOYSA-N 0 1 272.348 3.931 20 0 CHADMN CO[C@H](C)c1cccc(-n2c(N)nc3ccc(C)cc32)c1 ZINC001209945487 1134106585 /nfs/dbraw/zinc/10/65/85/1134106585.db2.gz DCFNSWASZLZLKY-GFCCVEGCSA-N 0 1 281.359 3.624 20 0 CHADMN COc1cc(Nc2cccc([C@@H](C)OC)c2)ncc1C ZINC001209948793 1134107512 /nfs/dbraw/zinc/10/75/12/1134107512.db2.gz JFHZNZMLULYFKH-GFCCVEGCSA-N 0 1 272.348 3.850 20 0 CHADMN Cc1cc(N)ncc1Nc1c(F)cccc1Cl ZINC001209967878 1134111499 /nfs/dbraw/zinc/11/14/99/1134111499.db2.gz STUGKWOQMDSDQS-UHFFFAOYSA-N 0 1 251.692 3.508 20 0 CHADMN Cc1ccc(-c2cc(Nc3cnc(N)cc3C)on2)cc1 ZINC001209968534 1134111861 /nfs/dbraw/zinc/11/18/61/1134111861.db2.gz UXECFKUTXNMMOC-UHFFFAOYSA-N 0 1 280.331 3.679 20 0 CHADMN Cc1cc(N)ncc1Nc1c(F)cc(F)cc1Cl ZINC001209970507 1134112700 /nfs/dbraw/zinc/11/27/00/1134112700.db2.gz VFWUIFYFZKHPPM-UHFFFAOYSA-N 0 1 269.682 3.647 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1nc2c(s1)C(=O)CCC2 ZINC001210100221 1134145365 /nfs/dbraw/zinc/14/53/65/1134145365.db2.gz JLGIGQFOEGQJTC-UHFFFAOYSA-N 0 1 298.371 3.590 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ncc(Cl)nc1Cl ZINC001210100461 1134145549 /nfs/dbraw/zinc/14/55/49/1134145549.db2.gz OVMIHAGNYNBHGO-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2cn(C)nc21 ZINC001210101350 1134145613 /nfs/dbraw/zinc/14/56/13/1134145613.db2.gz DWGDGHLDMDTFEZ-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(Cl)cc1O ZINC001210103591 1134148302 /nfs/dbraw/zinc/14/83/02/1134148302.db2.gz XVKJHTPHJVVVPO-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc(O)c1C ZINC001210105055 1134148366 /nfs/dbraw/zinc/14/83/66/1134148366.db2.gz JGGUQVNMCAUXGI-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COc1ccc(F)cc1Nc1cc2cn[nH]c2cc1C ZINC001210105310 1134148396 /nfs/dbraw/zinc/14/83/96/1134148396.db2.gz VUPDCWKXOYWSLT-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1c(N)ccc(F)c1C ZINC001210105800 1134148769 /nfs/dbraw/zinc/14/87/69/1134148769.db2.gz JVHYPUCLZULPNA-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2c1COC2 ZINC001210105722 1134149125 /nfs/dbraw/zinc/14/91/25/1134149125.db2.gz ICPSJYLIQSJXFI-UHFFFAOYSA-N 0 1 265.316 3.645 20 0 CHADMN CC1(C)CCC(=Nc2ccc(F)cc2S(C)(=O)=O)CC1 ZINC001210168859 1134159867 /nfs/dbraw/zinc/15/98/67/1134159867.db2.gz YREYQNLHSLYESO-UHFFFAOYSA-N 0 1 297.395 3.735 20 0 CHADMN Cc1cc(Nc2cc(C)oc2C)n(-c2ccncc2)n1 ZINC001210281011 1134184817 /nfs/dbraw/zinc/18/48/17/1134184817.db2.gz XTMWQYWVKPBVGR-UHFFFAOYSA-N 0 1 268.320 3.529 20 0 CHADMN Fc1cccc(Nc2ccnn2-c2ccncc2)c1Cl ZINC001210540791 1134243332 /nfs/dbraw/zinc/24/33/32/1134243332.db2.gz CNBNACGMWBYYEI-UHFFFAOYSA-N 0 1 288.713 3.803 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc([C@H](C)O)cc1 ZINC001210644783 1134267593 /nfs/dbraw/zinc/26/75/93/1134267593.db2.gz AWURLLRTDUCDJM-NSHDSACASA-N 0 1 285.322 3.579 20 0 CHADMN CCC(C)=Nc1c(Cl)c(OC)ccc1C(C)=O ZINC001210796724 1134296592 /nfs/dbraw/zinc/29/65/92/1134296592.db2.gz VBQIKQWQDRILNP-VMPITWQZSA-N 0 1 253.729 3.887 20 0 CHADMN COc1cc(Nc2cc(O)cc(C(F)(F)F)c2)ncc1C ZINC001210823836 1134306497 /nfs/dbraw/zinc/30/64/97/1134306497.db2.gz HSMDHQLZPUCVRR-UHFFFAOYSA-N 0 1 298.264 3.867 20 0 CHADMN CCOc1cc(N=C(C)c2ccccc2)cc(C(=O)OC)c1 ZINC001210989071 1134344393 /nfs/dbraw/zinc/34/43/93/1134344393.db2.gz CLNZFROUIVWIRN-UHFFFAOYSA-N 0 1 297.354 3.955 20 0 CHADMN C=C(Nc1cccc(C(=O)OC)c1OC)c1ccccc1 ZINC001210987484 1134344561 /nfs/dbraw/zinc/34/45/61/1134344561.db2.gz XEYSDVUMZRKNBV-UHFFFAOYSA-N 0 1 283.327 3.565 20 0 CHADMN COC(=O)c1ccc(N=C(C)c2ccccc2)cc1OC ZINC001210987729 1134344694 /nfs/dbraw/zinc/34/46/94/1134344694.db2.gz TUGSAHONJNIPTP-UHFFFAOYSA-N 0 1 283.327 3.565 20 0 CHADMN COc1cnccc1Nc1cccc(C(F)(F)F)c1C ZINC001211260974 1134399682 /nfs/dbraw/zinc/39/96/82/1134399682.db2.gz VOZNAVYIPADODE-UHFFFAOYSA-N 0 1 282.265 3.583 20 0 CHADMN Oc1cc(F)c(-c2cc(C3CC3)cnc2F)cc1F ZINC001211340609 1134410380 /nfs/dbraw/zinc/41/03/80/1134410380.db2.gz XBXMVJLFIWFRMK-UHFFFAOYSA-N 0 1 265.234 3.749 20 0 CHADMN CC(C)([NH3+])c1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001211360774 1134412674 /nfs/dbraw/zinc/41/26/74/1134412674.db2.gz WJDLCAJXNALLAE-UHFFFAOYSA-N 0 1 263.287 3.531 20 0 CHADMN Cc1cn2cccc(Nc3ccc4[nH]c(C)nc4c3)c2n1 ZINC001213071500 1134419881 /nfs/dbraw/zinc/41/98/81/1134419881.db2.gz VHWNARXUZXCSGM-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN Cc1nc2cc(Nc3cccc(Cl)c3O)ccc2[nH]1 ZINC001213074378 1134420645 /nfs/dbraw/zinc/42/06/45/1134420645.db2.gz RMOXHFDFIGSLQY-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1nc2cc(Nc3ccc4cnoc4c3)ccc2[nH]1 ZINC001213075135 1134420704 /nfs/dbraw/zinc/42/07/04/1134420704.db2.gz FUCWHBZSADLWQN-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1nc2cc(Nc3ccc4nccnc4c3)ccc2[nH]1 ZINC001213073573 1134420925 /nfs/dbraw/zinc/42/09/25/1134420925.db2.gz RGNPCUWBPPOSNX-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN COc1ccc(Nc2ccc3[nH]c(C)nc3c2)c(OC)c1 ZINC001213075187 1134423818 /nfs/dbraw/zinc/42/38/18/1134423818.db2.gz HZTHJEJBYBKPON-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN COc1ccc(C)nc1Nc1ccnc(C(C)(C)C)c1 ZINC001213164158 1134432776 /nfs/dbraw/zinc/43/27/76/1134432776.db2.gz JUVVGJYFVURJRS-UHFFFAOYSA-N 0 1 271.364 3.835 20 0 CHADMN Fc1ccc(Cl)c(-c2noc(-c3cc(Cl)[nH]n3)n2)c1 ZINC001213500976 1134456523 /nfs/dbraw/zinc/45/65/23/1134456523.db2.gz VEDJLHNWTVTTOK-UHFFFAOYSA-N 0 1 299.092 3.573 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(Cl)cc1N ZINC001213650988 1134473819 /nfs/dbraw/zinc/47/38/19/1134473819.db2.gz ULNOYHSLNQOJKM-UHFFFAOYSA-N 0 1 290.729 3.761 20 0 CHADMN Cc1ncc(C(F)(F)F)cc1Nc1ccc2nccn2c1 ZINC001213825267 1134489058 /nfs/dbraw/zinc/48/90/58/1134489058.db2.gz WZWJSPBGDYQIAG-UHFFFAOYSA-N 0 1 292.264 3.800 20 0 CHADMN Oc1c(Cl)ccc(Nc2cnccc2Cl)c1F ZINC001214790925 1134572103 /nfs/dbraw/zinc/57/21/03/1134572103.db2.gz BLNSNVBQUIYDAT-UHFFFAOYSA-N 0 1 273.094 3.977 20 0 CHADMN Cn1nc(C2CC2)cc1Nc1ccc(Cl)c(O)c1F ZINC001214790917 1134572175 /nfs/dbraw/zinc/57/21/75/1134572175.db2.gz AYLQHVVBCOKVSD-UHFFFAOYSA-N 0 1 281.718 3.539 20 0 CHADMN Cc1cc(F)nc(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214798578 1134575594 /nfs/dbraw/zinc/57/55/94/1134575594.db2.gz WKHJUTCYMAMVCI-UHFFFAOYSA-N 0 1 270.666 3.771 20 0 CHADMN Oc1c(Cl)ccc(Nc2cccc3c2OCO3)c1F ZINC001214799198 1134575375 /nfs/dbraw/zinc/57/53/75/1134575375.db2.gz PYBXGYPAVOXYAH-UHFFFAOYSA-N 0 1 281.670 3.657 20 0 CHADMN C[C@H](O)c1ccccc1Nc1ccc(Cl)c(O)c1F ZINC001214806863 1134576075 /nfs/dbraw/zinc/57/60/75/1134576075.db2.gz MTKZPUTWCSGOGK-QMMMGPOBSA-N 0 1 281.714 3.982 20 0 CHADMN Oc1cc(F)c(Nc2ccc(Cl)c(O)c2F)cc1F ZINC001214804643 1134575648 /nfs/dbraw/zinc/57/56/48/1134575648.db2.gz VSOJWBQXINJIGM-UHFFFAOYSA-N 0 1 289.640 3.912 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cc(C)cc(O)c1 ZINC001215511479 1134635323 /nfs/dbraw/zinc/63/53/23/1134635323.db2.gz HOSYOOLTAZAEII-UHFFFAOYSA-N 0 1 271.295 3.539 20 0 CHADMN Fc1cc(Nc2cc(-c3ccco3)no2)cc2n[nH]cc21 ZINC001215553881 1134639297 /nfs/dbraw/zinc/63/92/97/1134639297.db2.gz MNGISCVFWTYVAI-UHFFFAOYSA-N 0 1 284.250 3.694 20 0 CHADMN Cc1cc(Cl)ncc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215552779 1134639651 /nfs/dbraw/zinc/63/96/51/1134639651.db2.gz DPWCIOGSFHIXHD-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Fc1cc(Nc2c(F)ccc(F)c2F)cc2[nH]ncc21 ZINC001215554642 1134640841 /nfs/dbraw/zinc/64/08/41/1134640841.db2.gz BMFSNCATESBOFU-UHFFFAOYSA-N 0 1 281.212 3.863 20 0 CHADMN COc1cc(Cl)ncc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555029 1134640976 /nfs/dbraw/zinc/64/09/76/1134640976.db2.gz HBVXYKSUXTWMSG-UHFFFAOYSA-N 0 1 292.701 3.503 20 0 CHADMN Cn1c(Nc2cc3[nH]ncc3c(F)c2)cc2ccccc21 ZINC001215555724 1134641062 /nfs/dbraw/zinc/64/10/62/1134641062.db2.gz NIOOZNGMIZBZJO-UHFFFAOYSA-N 0 1 280.306 3.937 20 0 CHADMN Cc1nc2cc(Nc3cc4[nH]ncc4c(F)c3)ccc2o1 ZINC001215555874 1134641327 /nfs/dbraw/zinc/64/13/27/1134641327.db2.gz PSVFXFZDOBRJGU-UHFFFAOYSA-N 0 1 282.278 3.895 20 0 CHADMN CCCc1ccnc(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215554865 1134641361 /nfs/dbraw/zinc/64/13/61/1134641361.db2.gz KUBLEFDWWDRGTA-UHFFFAOYSA-N 0 1 270.311 3.793 20 0 CHADMN Fc1cc(Nc2cccc3cnoc32)cc2[nH]ncc21 ZINC001215558799 1134641974 /nfs/dbraw/zinc/64/19/74/1134641974.db2.gz XWKZAVYIFNELQH-UHFFFAOYSA-N 0 1 268.251 3.587 20 0 CHADMN CCCOc1ccc(C)c(Nc2c(C)ncn2C)c1 ZINC001215585274 1134648491 /nfs/dbraw/zinc/64/84/91/1134648491.db2.gz MPQJYGHVOZREKR-UHFFFAOYSA-N 0 1 259.353 3.569 20 0 CHADMN Cc1nnc(Nc2cc(C(F)(F)F)ccc2Cl)o1 ZINC001215688904 1134659831 /nfs/dbraw/zinc/65/98/31/1134659831.db2.gz VYWFKLVUMNSIBY-UHFFFAOYSA-N 0 1 277.633 3.794 20 0 CHADMN COc1cc(Nc2ccc3nccn3c2)cc(C)c1F ZINC001215701249 1134661670 /nfs/dbraw/zinc/66/16/70/1134661670.db2.gz WHPNHVQRVOLZBH-UHFFFAOYSA-N 0 1 271.295 3.534 20 0 CHADMN Cc1ccc(Nc2ccnc(Cl)c2)c2cn[nH]c21 ZINC001215753926 1134674033 /nfs/dbraw/zinc/67/40/33/1134674033.db2.gz GLOSSUYZVZTCTQ-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1ccc(Nc2cnc(Cl)c(F)c2)c2cn[nH]c21 ZINC001215755759 1134674623 /nfs/dbraw/zinc/67/46/23/1134674623.db2.gz AJSKRWCMJDAGAT-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1ccc(Nc2ccc(C(F)F)nc2)c2cn[nH]c21 ZINC001215755985 1134674760 /nfs/dbraw/zinc/67/47/60/1134674760.db2.gz HHNAIIVYTWTHPY-UHFFFAOYSA-N 0 1 274.274 3.948 20 0 CHADMN Cc1ccc(Nc2cnc3ccc(O)cc3c2)c2cn[nH]c21 ZINC001215755064 1134674861 /nfs/dbraw/zinc/67/48/61/1134674861.db2.gz HFKHFIPJADLCPN-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN COc1cccc(F)c1Nc1ccc(C)c2[nH]ncc21 ZINC001215758850 1134676986 /nfs/dbraw/zinc/67/69/86/1134676986.db2.gz ZTAJJJMTPOWIFA-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN COC(=O)c1ccc(F)c(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215759166 1134677064 /nfs/dbraw/zinc/67/70/64/1134677064.db2.gz HXOIFIJYGJLTAQ-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1ccc(Nc2cccc3c2C(=O)CC3)c2cn[nH]c21 ZINC001215759126 1134677471 /nfs/dbraw/zinc/67/74/71/1134677471.db2.gz FRZWGSDNZXFFOW-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN Cc1ncn(C)c1Nc1ccnc(Oc2ccccc2)c1 ZINC001215774287 1134683950 /nfs/dbraw/zinc/68/39/50/1134683950.db2.gz HKCJQAPOXCKRIK-UHFFFAOYSA-N 0 1 280.331 3.659 20 0 CHADMN OCc1cc(Nc2cc(Cl)cc3[nH]ncc32)ccc1F ZINC001215860000 1134705622 /nfs/dbraw/zinc/70/56/22/1134705622.db2.gz ZLLPVDKQZCQERJ-UHFFFAOYSA-N 0 1 291.713 3.591 20 0 CHADMN Cc1ccc(N)cc1Nc1cc(Cl)cc2[nH]ncc21 ZINC001215861198 1134705995 /nfs/dbraw/zinc/70/59/95/1134705995.db2.gz ZTAXPZCJHKHYCK-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1nc(OC(C)C)ccc1Nc1ccc2nccn2c1 ZINC001215919240 1134719357 /nfs/dbraw/zinc/71/93/57/1134719357.db2.gz OAHDWBIDNXLXMY-UHFFFAOYSA-N 0 1 282.347 3.569 20 0 CHADMN COc1cc(Nc2ccc(OC(C)C)nc2C)ncc1C ZINC001215919837 1134719425 /nfs/dbraw/zinc/71/94/25/1134719425.db2.gz BOOCRUQFQXRNHU-UHFFFAOYSA-N 0 1 287.363 3.633 20 0 CHADMN COc1ccc(-n2c(N)nc3ccc(C)cc32)cc1SC ZINC001215931636 1134724271 /nfs/dbraw/zinc/72/42/71/1134724271.db2.gz GTRCBWXKMAEHPR-UHFFFAOYSA-N 0 1 299.399 3.647 20 0 CHADMN COc1c(C)cc(C)cc1Nc1ccnn1-c1ccncc1 ZINC001215996331 1134745480 /nfs/dbraw/zinc/74/54/80/1134745480.db2.gz SEEDYMDSXIADFH-UHFFFAOYSA-N 0 1 294.358 3.636 20 0 CHADMN Cc1cc(Nc2cnc3cccc(C)n23)cc(O)c1F ZINC001216078741 1134769223 /nfs/dbraw/zinc/76/92/23/1134769223.db2.gz CHTRYBSOVBWEKY-UHFFFAOYSA-N 0 1 271.295 3.539 20 0 CHADMN Cc1ncn(C)c1Nc1cccc(-c2ccncc2)c1 ZINC001216145308 1134790334 /nfs/dbraw/zinc/79/03/34/1134790334.db2.gz ZUSMWNCHKAHUDL-UHFFFAOYSA-N 0 1 264.332 3.534 20 0 CHADMN CNc1cc(F)cc(Nc2c(C)nc3ccc(F)cn32)c1 ZINC001216186449 1134798760 /nfs/dbraw/zinc/79/87/60/1134798760.db2.gz HTJZCINMDPMIGE-UHFFFAOYSA-N 0 1 288.301 3.706 20 0 CHADMN CCc1cccnc1Nc1cccc(CN(C)C)c1F ZINC001216227840 1134812568 /nfs/dbraw/zinc/81/25/68/1134812568.db2.gz RSYXVWYHQPWYAF-UHFFFAOYSA-N 0 1 273.355 3.588 20 0 CHADMN CN(C)Cc1cccc(Nc2ncc(Cl)cc2F)c1F ZINC001216227658 1134813436 /nfs/dbraw/zinc/81/34/36/1134813436.db2.gz NQGSBQGEXVEICD-UHFFFAOYSA-N 0 1 297.736 3.818 20 0 CHADMN Cc1cc(Nc2cccc(CN(C)C)c2F)c(C)cc1N ZINC001216231584 1134814739 /nfs/dbraw/zinc/81/47/39/1134814739.db2.gz LWZJYFASQJLPQP-UHFFFAOYSA-N 0 1 287.382 3.830 20 0 CHADMN Cc1cc(Nc2cccc(Cl)c2N)n(-c2ccncc2)n1 ZINC001216525906 1134914297 /nfs/dbraw/zinc/91/42/97/1134914297.db2.gz DPMSBWOEYNVUSI-UHFFFAOYSA-N 0 1 299.765 3.555 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cccc(Cl)c1N ZINC001216528375 1134917381 /nfs/dbraw/zinc/91/73/81/1134917381.db2.gz VJIQYXASXYIIIY-UHFFFAOYSA-N 0 1 290.729 3.761 20 0 CHADMN c1cc(Nc2cncn2Cc2ccccc2)n(C2CCC2)n1 ZINC001216551245 1134917586 /nfs/dbraw/zinc/91/75/86/1134917586.db2.gz ZDYGKUJCOZYNMM-UHFFFAOYSA-N 0 1 293.374 3.597 20 0 CHADMN C[C@H](O)c1cccc(Nc2cncn2Cc2ccccc2)c1 ZINC001216552511 1134918224 /nfs/dbraw/zinc/91/82/24/1134918224.db2.gz RITMARXXCNUGHV-AWEZNQCLSA-N 0 1 293.370 3.728 20 0 CHADMN COCc1cccc(Nc2cncn2Cc2ccccc2)c1 ZINC001216553097 1134920588 /nfs/dbraw/zinc/92/05/88/1134920588.db2.gz FYJNNKAGTPSOEQ-UHFFFAOYSA-N 0 1 293.370 3.821 20 0 CHADMN CN(C)c1cccc(Nc2cncn2Cc2ccccc2)c1 ZINC001216554310 1134920601 /nfs/dbraw/zinc/92/06/01/1134920601.db2.gz HSQYSXIMTSBOCX-UHFFFAOYSA-N 0 1 292.386 3.741 20 0 CHADMN CN(C)c1ccccc1Nc1cncn1Cc1ccccc1 ZINC001216553621 1134920694 /nfs/dbraw/zinc/92/06/94/1134920694.db2.gz JBTLYVMUPYQSKJ-UHFFFAOYSA-N 0 1 292.386 3.741 20 0 CHADMN BrC1=CCCN(CCC2CCCCC2)C1 ZINC000404220084 1134939709 /nfs/dbraw/zinc/93/97/09/1134939709.db2.gz SBDHUHNACQQDPN-UHFFFAOYSA-N 0 1 272.230 3.941 20 0 CHADMN O=C([O-])Cc1ccc(F)c(Nc2ccc3c[nH+]ccc3c2)c1 ZINC001216683121 1134944147 /nfs/dbraw/zinc/94/41/47/1134944147.db2.gz KXSVKSHFAFCMSB-UHFFFAOYSA-N 0 1 296.301 3.745 20 0 CHADMN COc1ccc2ccccc2c1CNCc1cc(C)ns1 ZINC000404415797 1134944586 /nfs/dbraw/zinc/94/45/86/1134944586.db2.gz FWJGSWDBHVQWQT-UHFFFAOYSA-N 0 1 298.411 3.903 20 0 CHADMN Oc1cccc(-c2nc(-c3ccccc3F)no2)c1Cl ZINC001216789136 1134947590 /nfs/dbraw/zinc/94/75/90/1134947590.db2.gz HYESVJZZMKCNCS-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H]2c2nnc([C@@H]3NCCC[C@@H]3C)o2)cc1 ZINC001217701897 1134987430 /nfs/dbraw/zinc/98/74/30/1134987430.db2.gz GWDDHJBGXODSOP-QCEMKRCNSA-N 0 1 297.402 3.710 20 0 CHADMN C[C@H]1CCN[C@@H](c2nnc(-c3ccc4ccccc4c3)o2)C1 ZINC001217702913 1134987662 /nfs/dbraw/zinc/98/76/62/1134987662.db2.gz QAVHANSGJFVDPT-BLLLJJGKSA-N 0 1 293.370 3.950 20 0 CHADMN CN[C@H](C)c1nnc(-c2ccc(Oc3ccccc3)cc2)o1 ZINC001217696847 1134988045 /nfs/dbraw/zinc/98/80/45/1134988045.db2.gz PFKHQAWEDCIVGO-GFCCVEGCSA-N 0 1 295.342 3.809 20 0 CHADMN CN[C@H](CC(C)C)c1nnc(-c2cccc(Cl)c2)o1 ZINC001217714338 1134990373 /nfs/dbraw/zinc/99/03/73/1134990373.db2.gz FVGLEVAVAGBZAI-GFCCVEGCSA-N 0 1 279.771 3.697 20 0 CHADMN CN[C@@H](CC1CCCCC1)c1nnc(-c2ccccc2)o1 ZINC001217727327 1134992033 /nfs/dbraw/zinc/99/20/33/1134992033.db2.gz DNKIFUWBLTYFMU-HNNXBMFYSA-N 0 1 285.391 3.968 20 0 CHADMN CCCCC[C@H](NC)c1nnc(-c2ccc(C)cc2)o1 ZINC001217755469 1134993573 /nfs/dbraw/zinc/99/35/73/1134993573.db2.gz CZCXGWIIGABCEX-AWEZNQCLSA-N 0 1 273.380 3.886 20 0 CHADMN C[C@@H]1CC[C@@H](C)[C@@H](OCc2cccc3nc[nH]c32)C1 ZINC001217857220 1135009700 /nfs/dbraw/zinc/00/97/00/1135009700.db2.gz JHYNZCSKXMTYTL-JMSVASOKSA-N 0 1 258.365 3.904 20 0 CHADMN c1nc2cccc(CO[C@@H]3CC4CCC3CC4)c2[nH]1 ZINC001217864316 1135010484 /nfs/dbraw/zinc/01/04/84/1135010484.db2.gz DNQUWAVHOSEOEV-KOHJWAIASA-N 0 1 256.349 3.658 20 0 CHADMN O=C(Nc1ccsc1)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001218534944 1135117505 /nfs/dbraw/zinc/11/75/05/1135117505.db2.gz FQKNIEBGOXLXHX-GJZGRUSLSA-N 0 1 286.400 3.570 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN[C@@H](C)c2cccs2)c1 ZINC000192868953 1135147158 /nfs/dbraw/zinc/14/71/58/1135147158.db2.gz YICMVAKCVKWKHP-ZDUSSCGKSA-N 0 1 288.416 3.654 20 0 CHADMN CN(Cc1cccc(O)c1Br)CC1CCCC1 ZINC000316087628 1135164441 /nfs/dbraw/zinc/16/44/41/1135164441.db2.gz LYBZGVNWAWIGPT-UHFFFAOYSA-N 0 1 298.224 3.777 20 0 CHADMN Cn1cc(-c2cncc3cc[nH]c32)c(-c2ccccc2)n1 ZINC001222536582 1135249795 /nfs/dbraw/zinc/24/97/95/1135249795.db2.gz XXDMKNCCTZBVRB-UHFFFAOYSA-N 0 1 274.327 3.630 20 0 CHADMN C[C@@H](OCc1cnc[nH]1)c1ccc(Cl)cc1Cl ZINC001222999739 1135293108 /nfs/dbraw/zinc/29/31/08/1135293108.db2.gz GXEKFXCGFQIDLO-MRVPVSSYSA-N 0 1 271.147 3.994 20 0 CHADMN C[C@H](OCc1cnc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC001222999754 1135293121 /nfs/dbraw/zinc/29/31/21/1135293121.db2.gz HCSLNRJCIBQVCP-VIFPVBQESA-N 0 1 270.254 3.706 20 0 CHADMN COc1ccc2cc([C@H](C)OCc3cnc[nH]3)ccc2c1 ZINC001223001220 1135294684 /nfs/dbraw/zinc/29/46/84/1135294684.db2.gz VSVHIYVHKIKAEN-LBPRGKRZSA-N 0 1 282.343 3.849 20 0 CHADMN Cc1cc(C)c(C)c(COC2CCN(CCF)CC2)c1C ZINC001223590925 1135363396 /nfs/dbraw/zinc/36/33/96/1135363396.db2.gz PYOCMIUMMRFMLF-UHFFFAOYSA-N 0 1 293.426 3.871 20 0 CHADMN CCCCCO[C@H]1CCN2Cc3ccccc3N=C12 ZINC001224660716 1135466708 /nfs/dbraw/zinc/46/67/08/1135466708.db2.gz MUMMZTUXLWJQCN-HNNXBMFYSA-N 0 1 258.365 3.511 20 0 CHADMN C[Si](C)(C)CCO[C@H]1CCN2Cc3ccccc3N=C12 ZINC001224906711 1135492622 /nfs/dbraw/zinc/49/26/22/1135492622.db2.gz LLWDPGJWNYUBDF-HNNXBMFYSA-N 0 1 288.467 3.659 20 0 CHADMN Cc1ccc(O[C@@H]2CC[N@H+]([C@@H](C)c3ccccn3)C2)cc1C ZINC001225245183 1135524513 /nfs/dbraw/zinc/52/45/13/1135524513.db2.gz LKJHMQDMJGWXHY-FUHWJXTLSA-N 0 1 296.414 3.913 20 0 CHADMN Cc1cc(=O)[nH]c(O[C@H](C)c2c(Cl)cccc2Cl)n1 ZINC001226160064 1135669111 /nfs/dbraw/zinc/66/91/11/1135669111.db2.gz ZXVNCVZJIOJBAF-MRVPVSSYSA-N 0 1 299.157 3.937 20 0 CHADMN Cc1cc(=O)[nH]c(O[C@@H](C)c2cccc3ccccc32)n1 ZINC001226157380 1135669228 /nfs/dbraw/zinc/66/92/28/1135669228.db2.gz XWVUWKVJMCANGR-LBPRGKRZSA-N 0 1 280.327 3.784 20 0 CHADMN CCN1CC[C@@H](Oc2c(C)cc(C)cc2Br)C1 ZINC001226292792 1135681532 /nfs/dbraw/zinc/68/15/32/1135681532.db2.gz OQLBBGYBPUDSTM-GFCCVEGCSA-N 0 1 298.224 3.539 20 0 CHADMN C[C@H]1C[C@H](Oc2n[nH]c3ncccc23)CC(C)(C)C1 ZINC001226302412 1135682825 /nfs/dbraw/zinc/68/28/25/1135682825.db2.gz KAYZRVOVPYODNH-QWRGUYRKSA-N 0 1 259.353 3.552 20 0 CHADMN C[C@@H](Oc1nccc(=O)[nH]1)c1ccc(-c2ccccc2)cc1 ZINC001226324830 1135685157 /nfs/dbraw/zinc/68/51/57/1135685157.db2.gz VHPSPMYLWIEVCD-CYBMUJFWSA-N 0 1 292.338 3.989 20 0 CHADMN C[C@@H](Oc1nccc(=O)[nH]1)c1cc(Cl)ccc1Cl ZINC001226327199 1135685235 /nfs/dbraw/zinc/68/52/35/1135685235.db2.gz SOWQOBYWYAJDLZ-SSDOTTSWSA-N 0 1 285.130 3.629 20 0 CHADMN Nc1cc(O[C@H]2CCOc3ccccc32)c2ccccc2n1 ZINC001226417973 1135694813 /nfs/dbraw/zinc/69/48/13/1135694813.db2.gz FJAMMQZBDXGDSV-INIZCTEOSA-N 0 1 292.338 3.720 20 0 CHADMN Cc1ccc2nc(O[C@@H](C)c3cnc4ccccn43)[nH]c2c1 ZINC001226506407 1135704799 /nfs/dbraw/zinc/70/47/99/1135704799.db2.gz OQDZAILBAYDYOZ-LBPRGKRZSA-N 0 1 292.342 3.659 20 0 CHADMN C[C@H](Oc1nc2ccc(F)cc2[nH]1)c1cccc(N(C)C)c1 ZINC001226701135 1135730533 /nfs/dbraw/zinc/73/05/33/1135730533.db2.gz LDNQJNFZYPCAEA-NSHDSACASA-N 0 1 299.349 3.908 20 0 CHADMN C[C@H](Oc1nc2ccc(F)cc2[nH]1)c1ccccc1F ZINC001226702255 1135731278 /nfs/dbraw/zinc/73/12/78/1135731278.db2.gz YFMPJLXDTDYCOF-VIFPVBQESA-N 0 1 274.270 3.981 20 0 CHADMN CC(C)(C)[NH+]1CCC(Oc2cccc([O-])c2Cl)CC1 ZINC001226708100 1135731534 /nfs/dbraw/zinc/73/15/34/1135731534.db2.gz AHWSOFVFBTXGSN-UHFFFAOYSA-N 0 1 283.799 3.687 20 0 CHADMN CCCCC(=O)c1ccc(OC2CCN(C)CC2)cc1 ZINC001226772179 1135740044 /nfs/dbraw/zinc/74/00/44/1135740044.db2.gz OANJPWDOLGFUBJ-UHFFFAOYSA-N 0 1 275.392 3.533 20 0 CHADMN CC(C)N1CCC[C@@H](Oc2cnc(Cl)cc2Cl)C1 ZINC001226895078 1135757339 /nfs/dbraw/zinc/75/73/39/1135757339.db2.gz WELATUSMZUKWIF-SNVBAGLBSA-N 0 1 289.206 3.640 20 0 CHADMN CC(C)N1CCC[C@H](Oc2cnc(Cl)cc2Cl)C1 ZINC001226895075 1135757422 /nfs/dbraw/zinc/75/74/22/1135757422.db2.gz WELATUSMZUKWIF-JTQLQIEISA-N 0 1 289.206 3.640 20 0 CHADMN C[C@@H](Oc1ccc2nc[nH]c2c1)c1c(F)cccc1F ZINC001226923728 1135762197 /nfs/dbraw/zinc/76/21/97/1135762197.db2.gz HGNDXGRSVDFFOI-SECBINFHSA-N 0 1 274.270 3.981 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2Oc1ccc2nc[nH]c2c1 ZINC001226929315 1135763000 /nfs/dbraw/zinc/76/30/00/1135763000.db2.gz DNWBXERNMKJZRU-INIZCTEOSA-N 0 1 268.291 3.768 20 0 CHADMN c1nc2ccc(OC3CCN(c4ccccc4)CC3)cc2[nH]1 ZINC001226929141 1135763086 /nfs/dbraw/zinc/76/30/86/1135763086.db2.gz ZJIDHEZQMKEALF-UHFFFAOYSA-N 0 1 293.370 3.611 20 0 CHADMN C[C@@H](Oc1[nH]c(=O)nc2[nH]ccc21)c1csc(Cl)c1 ZINC001227271433 1135814186 /nfs/dbraw/zinc/81/41/86/1135814186.db2.gz VXQRMMMWQXVEQC-ZCFIWIBFSA-N 0 1 295.751 3.518 20 0 CHADMN Cc1cccc2nc(O[C@H]3COCc4ccccc43)[nH]c21 ZINC001227267766 1135814381 /nfs/dbraw/zinc/81/43/81/1135814381.db2.gz GXSOGKLRZLFGIS-HNNXBMFYSA-N 0 1 280.327 3.522 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1cn(-c2ccccc2)nn1)C1CC1 ZINC000353307963 529411435 /nfs/dbraw/zinc/41/14/35/529411435.db2.gz MUBVGVYXHDCRIB-CABCVRRESA-N 0 1 298.434 3.666 20 0 CHADMN CC[C@@H](CN[C@H](C)c1nc2ccccc2n1C(F)F)OC ZINC000353558402 529495655 /nfs/dbraw/zinc/49/56/55/529495655.db2.gz JFQFHCWRDBBJEG-MNOVXSKESA-N 0 1 297.349 3.507 20 0 CHADMN CCc1cc(C)c(C(=O)Nc2cc(Cl)c(O)cc2F)o1 ZINC000335955399 529525176 /nfs/dbraw/zinc/52/51/76/529525176.db2.gz JEDWYTHDCXDUQQ-UHFFFAOYSA-N 0 1 297.713 3.901 20 0 CHADMN CCn1cccc1CN(C)Cc1ccc(OC(F)F)cc1 ZINC000353679015 529547409 /nfs/dbraw/zinc/54/74/09/529547409.db2.gz FSVWXQFLYBZSBM-UHFFFAOYSA-N 0 1 294.345 3.741 20 0 CHADMN CCc1ccc(CN2CCC[C@H]2c2ccc(C)o2)cn1 ZINC000347878917 529639938 /nfs/dbraw/zinc/63/99/38/529639938.db2.gz MBAKSGNEHBONLE-INIZCTEOSA-N 0 1 270.376 3.883 20 0 CHADMN CCc1cnc(CNCC(C)(C)Oc2ccccc2)s1 ZINC000344216729 529652267 /nfs/dbraw/zinc/65/22/67/529652267.db2.gz UTKAGXSOOYJHIK-UHFFFAOYSA-N 0 1 290.432 3.653 20 0 CHADMN CCc1ccc(CN(Cc2cccs2)C2CC2)cn1 ZINC000347635700 529637904 /nfs/dbraw/zinc/63/79/04/529637904.db2.gz KIQZOZSFIGWSAR-UHFFFAOYSA-N 0 1 272.417 3.870 20 0 CHADMN CC[C@H](N[C@H]1C[C@H]1C(F)F)c1cc(F)ccc1F ZINC000348272345 529673704 /nfs/dbraw/zinc/67/37/04/529673704.db2.gz JXTONOUVRLWHFR-USWWRNFRSA-N 0 1 261.262 3.659 20 0 CHADMN C[C@H](NCCC(C)(C)C(=O)OC(C)(C)C)c1cscn1 ZINC000573436637 334937425 /nfs/dbraw/zinc/93/74/25/334937425.db2.gz DQCYVHJQADWEIH-NSHDSACASA-N 0 1 298.452 3.552 20 0 CHADMN CCc1nc(CN2CCC[C@](C)(CC)C2)cs1 ZINC000353705951 529736327 /nfs/dbraw/zinc/73/63/27/529736327.db2.gz ORYHACCBOMOUTC-AWEZNQCLSA-N 0 1 252.427 3.718 20 0 CHADMN CCc1nc2c(s1)[C@H](N(C)CCC(F)(F)F)CCC2 ZINC000355878687 529747853 /nfs/dbraw/zinc/74/78/53/529747853.db2.gz IRCWVMTUFZSUCM-SNVBAGLBSA-N 0 1 292.370 3.967 20 0 CHADMN CN(C)c1cccnc1CNCc1cccc2ccccc21 ZINC000353196928 529796364 /nfs/dbraw/zinc/79/63/64/529796364.db2.gz VLRIPBPLXSTOOC-UHFFFAOYSA-N 0 1 291.398 3.591 20 0 CHADMN CN(C/C=C\c1ccc(F)c(F)c1)Cc1ccoc1 ZINC000347633958 529820549 /nfs/dbraw/zinc/82/05/49/529820549.db2.gz DXUKMYIRUXECLG-IHWYPQMZSA-N 0 1 263.287 3.703 20 0 CHADMN NC1(c2noc(C3CCCCCCC3)n2)CCCC1 ZINC000086581860 260208789 /nfs/dbraw/zinc/20/87/89/260208789.db2.gz JFSJKXHAENKIEG-UHFFFAOYSA-N 0 1 263.385 3.626 20 0 CHADMN CCc1nc(C)c(CN[C@@H](CC)c2cccs2)o1 ZINC000336817774 334952251 /nfs/dbraw/zinc/95/22/51/334952251.db2.gz RUDOLGZVHWABMC-NSHDSACASA-N 0 1 264.394 3.848 20 0 CHADMN CCCOc1ccc([C@@H](C)NCCF)cc1OCCC ZINC000312843599 260211785 /nfs/dbraw/zinc/21/17/85/260211785.db2.gz LCWCOJPJQOKUPZ-CYBMUJFWSA-N 0 1 283.387 3.884 20 0 CHADMN CN(Cc1ccc2c(c1)CCC(C)(C)O2)Cc1ccccn1 ZINC000350364011 529991223 /nfs/dbraw/zinc/99/12/23/529991223.db2.gz ZSBNQHVAJOEYHL-UHFFFAOYSA-N 0 1 296.414 3.817 20 0 CHADMN CN(Cc1ccccn1)Cc1ccc(Cl)c2cccnc12 ZINC000350387384 530005073 /nfs/dbraw/zinc/00/50/73/530005073.db2.gz DDFXSCHGNABJTA-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN Cc1ncc(C[N@@H+]2CCC[C@H](CC(C)C)C2)s1 ZINC000119311863 267321525 /nfs/dbraw/zinc/32/15/25/267321525.db2.gz HPIVMZIHQSIASY-CYBMUJFWSA-N 0 1 252.427 3.710 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cccnc2Cl)cc1 ZINC000154524861 261093285 /nfs/dbraw/zinc/09/32/85/261093285.db2.gz VRPWHVSBSIVNBO-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1noc([C@H](C)N[C@@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000574252933 335004067 /nfs/dbraw/zinc/00/40/67/335004067.db2.gz ODRFCEUJCDTKFB-APHBMKBZSA-N 0 1 285.391 3.755 20 0 CHADMN COc1ccc(Cl)cc1[C@@H](C)NCc1ccn(C)c1 ZINC000158567014 261167002 /nfs/dbraw/zinc/16/70/02/261167002.db2.gz GHTAEWSQIYIUTN-LLVKDONJSA-N 0 1 278.783 3.538 20 0 CHADMN C[C@@H]1CN(Cc2cnc(-c3ccco3)s2)C[C@@H](C)S1 ZINC000574622494 335033524 /nfs/dbraw/zinc/03/35/24/335033524.db2.gz PPDQMRIXOWYNPO-GHMZBOCLSA-N 0 1 294.445 3.729 20 0 CHADMN CSc1ccc(F)cc1CNCc1cnccc1C ZINC000354469071 532971161 /nfs/dbraw/zinc/97/11/61/532971161.db2.gz UUDLAVOHKCLDDS-UHFFFAOYSA-N 0 1 276.380 3.541 20 0 CHADMN Cc1cnccc1CN(C)Cc1ccc(Cl)c(F)c1 ZINC000576698299 335236252 /nfs/dbraw/zinc/23/62/52/335236252.db2.gz ANWNSXMPTAVABF-UHFFFAOYSA-N 0 1 278.758 3.815 20 0 CHADMN CC[C@H](NCc1ccc(C(=O)OC)o1)c1ccc(C)cc1 ZINC000034994131 260003508 /nfs/dbraw/zinc/00/35/08/260003508.db2.gz CPSYMUJCXHPEEI-HNNXBMFYSA-N 0 1 287.359 3.616 20 0 CHADMN Cc1ncccc1CN[C@@H](C)c1ccccc1Cl ZINC000310949473 262184668 /nfs/dbraw/zinc/18/46/68/262184668.db2.gz NICJHSLTQFLENQ-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1ccc(C)c(OCCC[N@@H+]2C[C@@H](C)OC(C)(C)C2)c1 ZINC000519943668 260026274 /nfs/dbraw/zinc/02/62/74/260026274.db2.gz LDBTYNHUZFOASO-MRXNPFEDSA-N 0 1 291.435 3.572 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccc1C(F)(F)F)c1ccnn1C ZINC000447529312 260036398 /nfs/dbraw/zinc/03/63/98/260036398.db2.gz LNRHKNQDWLNGMC-WDEREUQCSA-N 0 1 297.324 3.851 20 0 CHADMN CO[C@@H](C)c1nc(CN[C@@H]2CCC23CCCC3)cs1 ZINC000353312688 533358581 /nfs/dbraw/zinc/35/85/81/533358581.db2.gz JTLVZCXGKXBQQO-WCQYABFASA-N 0 1 280.437 3.663 20 0 CHADMN C[C@@H](N[C@@H]1CCOc2c(F)cccc21)c1cccc(O)c1 ZINC000334756465 533526871 /nfs/dbraw/zinc/52/68/71/533526871.db2.gz PHONGCVMGCOCLR-BDJLRTHQSA-N 0 1 287.334 3.706 20 0 CHADMN COc1cccc(CNCc2ccc3occc3c2)c1OC ZINC000352821556 533512913 /nfs/dbraw/zinc/51/29/13/533512913.db2.gz PZGSPGBBLXJYNU-UHFFFAOYSA-N 0 1 297.354 3.740 20 0 CHADMN C[C@@H](N[C@@H]1CCCN(C)c2ccccc21)c1ccco1 ZINC000334685769 533519781 /nfs/dbraw/zinc/51/97/81/533519781.db2.gz BUJQHJSBRFYKAX-UKRRQHHQSA-N 0 1 270.376 3.902 20 0 CHADMN C[C@@H](O)CCCN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000354926650 533589391 /nfs/dbraw/zinc/58/93/91/533589391.db2.gz UZQXJUSFOVSVPS-DOMZBBRYSA-N 0 1 299.867 3.591 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1cn2cc(Cl)ccc2n1 ZINC000353821245 533591239 /nfs/dbraw/zinc/59/12/39/533591239.db2.gz JNMMQULWKRHMQS-LLVKDONJSA-N 0 1 297.855 3.561 20 0 CHADMN COc1ccc(CN(C)CCCOC(C)C)c(Cl)c1 ZINC000353712267 533537317 /nfs/dbraw/zinc/53/73/17/533537317.db2.gz IRODYZQVHCIAIH-UHFFFAOYSA-N 0 1 285.815 3.596 20 0 CHADMN COc1cccc(C[C@@H](C)NCc2ncc(Cl)s2)c1 ZINC000349650251 533539237 /nfs/dbraw/zinc/53/92/37/533539237.db2.gz AMCGHDROJLQSID-SNVBAGLBSA-N 0 1 296.823 3.526 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2ccco2)c(C)c1OC ZINC000347589994 533544898 /nfs/dbraw/zinc/54/48/98/533544898.db2.gz AFCWBHSSDFDEIL-CYBMUJFWSA-N 0 1 289.375 3.798 20 0 CHADMN COc1ccc(CN2CCCC3(CC3)C2)c(Cl)c1 ZINC000351915897 533554477 /nfs/dbraw/zinc/55/44/77/533554477.db2.gz SLQYCPSNZLFNBN-UHFFFAOYSA-N 0 1 265.784 3.725 20 0 CHADMN CC(C)C[C@@H](N[C@@H](C)c1nccn1C)c1cccs1 ZINC000341760556 130027296 /nfs/dbraw/zinc/02/72/96/130027296.db2.gz LXEXCPUEOMGAAE-QWHCGFSZSA-N 0 1 277.437 3.920 20 0 CHADMN CCC1CCC(N(C)Cc2nnc(C(C)C)o2)CC1 ZINC000341804980 130068161 /nfs/dbraw/zinc/06/81/61/130068161.db2.gz BTAROQLBDWIYDL-UHFFFAOYSA-N 0 1 265.401 3.594 20 0 CHADMN Cc1cncc(CN2CCC(CC(F)(F)F)CC2)c1 ZINC000341997141 130188393 /nfs/dbraw/zinc/18/83/93/130188393.db2.gz VREMPWXRXPNTOS-UHFFFAOYSA-N 0 1 272.314 3.554 20 0 CHADMN Cc1cccc(CN2CCC(CC(F)(F)F)CC2)n1 ZINC000342004494 130193124 /nfs/dbraw/zinc/19/31/24/130193124.db2.gz YTAZARGUPFSGGX-UHFFFAOYSA-N 0 1 272.314 3.554 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342022920 130205631 /nfs/dbraw/zinc/20/56/31/130205631.db2.gz QJSSXZADKKTYAC-CABCVRRESA-N 0 1 283.774 3.623 20 0 CHADMN Fc1ccc(CN2CCC=C(c3ccccc3)C2)nc1 ZINC000341987956 130210722 /nfs/dbraw/zinc/21/07/22/130210722.db2.gz JFCFWJLRCWEPHS-UHFFFAOYSA-N 0 1 268.335 3.510 20 0 CHADMN Cc1ccncc1CN1CCC(CC(F)(F)F)CC1 ZINC000341990037 130211170 /nfs/dbraw/zinc/21/11/70/130211170.db2.gz LGHXZYFKLBWMCV-UHFFFAOYSA-N 0 1 272.314 3.554 20 0 CHADMN FC(F)[C@H]1C[C@H]1NCc1ncc(-c2ccccc2)s1 ZINC000342205854 130383547 /nfs/dbraw/zinc/38/35/47/130383547.db2.gz POJGLAQDLYVDRB-WDEREUQCSA-N 0 1 280.343 3.553 20 0 CHADMN FC(F)(F)c1cnc(CNCCC2(F)CCC2)s1 ZINC000342224091 130396813 /nfs/dbraw/zinc/39/68/13/130396813.db2.gz MTMKNAGIWLGGSO-UHFFFAOYSA-N 0 1 282.306 3.534 20 0 CHADMN CC(C)c1ccc([C@@H](C)[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000006590949 170217356 /nfs/dbraw/zinc/21/73/56/170217356.db2.gz ZPLIHBVIYTZGNA-CJNGLKHVSA-N 0 1 275.392 3.668 20 0 CHADMN Cc1ccc(C)c(NS(=O)(=O)c2ccccc2Cl)c1 ZINC000007052204 170264107 /nfs/dbraw/zinc/26/41/07/170264107.db2.gz QKOFIUZFXFCNKG-UHFFFAOYSA-N 0 1 295.791 3.758 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1CC(=O)Nc1cccc(Cl)c1 ZINC000009997652 170394214 /nfs/dbraw/zinc/39/42/14/170394214.db2.gz DUWANWSAPAQDDM-VXGBXAGGSA-N 0 1 280.799 3.541 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc(F)ccc1F)c1ccncc1 ZINC000020121461 171000204 /nfs/dbraw/zinc/00/02/04/171000204.db2.gz HMOLJJPRDBQMNS-MNOVXSKESA-N 0 1 262.303 3.772 20 0 CHADMN C[C@@H](N[C@H](C)c1cc(F)ccc1F)c1ccncc1 ZINC000020121463 171000283 /nfs/dbraw/zinc/00/02/83/171000283.db2.gz HMOLJJPRDBQMNS-GHMZBOCLSA-N 0 1 262.303 3.772 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccncc1)c1cc(F)ccc1F ZINC000020121464 171000357 /nfs/dbraw/zinc/00/03/57/171000357.db2.gz HMOLJJPRDBQMNS-WDEREUQCSA-N 0 1 262.303 3.772 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2occc21)c1ccc2c(c1)OCO2 ZINC000020204448 171069315 /nfs/dbraw/zinc/06/93/15/171069315.db2.gz KHCQCULLNZSAOF-BXUZGUMPSA-N 0 1 285.343 3.737 20 0 CHADMN C[C@H](NCc1c(Cl)cccc1Cl)[C@@H]1CCCO1 ZINC000020207832 171072112 /nfs/dbraw/zinc/07/21/12/171072112.db2.gz XVFMWVVVTATNHO-ZANVPECISA-N 0 1 274.191 3.651 20 0 CHADMN CCc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1 ZINC000021027140 171291079 /nfs/dbraw/zinc/29/10/79/171291079.db2.gz TVPSMZZTKWLALQ-UHFFFAOYSA-N 0 1 275.735 3.860 20 0 CHADMN Fc1cccc(CN[C@H]2CCc3ccccc32)c1F ZINC000035224437 172068670 /nfs/dbraw/zinc/06/86/70/172068670.db2.gz ZUFWPAJUKSNDCU-HNNXBMFYSA-N 0 1 259.299 3.742 20 0 CHADMN Cc1nccc(CN[C@H](C)c2ccc3ccccc3c2)n1 ZINC000038037397 174037215 /nfs/dbraw/zinc/03/72/15/174037215.db2.gz GXCAVUABXDNYFF-CYBMUJFWSA-N 0 1 277.371 3.789 20 0 CHADMN Cc1csc(CN[C@H](c2ccccc2)C(C)C)n1 ZINC000038091125 174104902 /nfs/dbraw/zinc/10/49/02/174104902.db2.gz XRRIAOAJUPAZRR-HNNXBMFYSA-N 0 1 260.406 3.938 20 0 CHADMN Cc1csc(CN[C@@H]2CCCc3ccccc32)n1 ZINC000038090815 174105103 /nfs/dbraw/zinc/10/51/03/174105103.db2.gz FWRUBDXQROKBFT-CQSZACIVSA-N 0 1 258.390 3.619 20 0 CHADMN c1ccc([C@H]2CCCN(Cc3nc(C4CC4)no3)CC2)cc1 ZINC000039515635 174169643 /nfs/dbraw/zinc/16/96/43/174169643.db2.gz DTMHUQUPWWJHEZ-HNNXBMFYSA-N 0 1 297.402 3.717 20 0 CHADMN Cc1ccccc1C[NH2+]Cc1ccc([O-])c(Cl)c1 ZINC000043480160 175056005 /nfs/dbraw/zinc/05/60/05/175056005.db2.gz WUXOSYSZQOLLBN-UHFFFAOYSA-N 0 1 261.752 3.644 20 0 CHADMN CC(C)N(Cc1ccccc1)C(=O)c1cccc2c[nH]nc21 ZINC000070919451 176011599 /nfs/dbraw/zinc/01/15/99/176011599.db2.gz VCYHQKJXYUWCST-UHFFFAOYSA-N 0 1 293.370 3.614 20 0 CHADMN Cc1ccc(-c2nc(CN3CCC[C@H]3C)co2)cc1 ZINC000072185203 176335942 /nfs/dbraw/zinc/33/59/42/176335942.db2.gz KQVVIVWETUOPCE-CYBMUJFWSA-N 0 1 256.349 3.634 20 0 CHADMN Cc1nc2ccccn2c1CNCc1ccccc1Cl ZINC000037198924 260074142 /nfs/dbraw/zinc/07/41/42/260074142.db2.gz MWYPOKBVMLCESB-UHFFFAOYSA-N 0 1 285.778 3.586 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@@H](C)c1cnn(C)c1C ZINC000037167536 260072786 /nfs/dbraw/zinc/07/27/86/260072786.db2.gz PPUMFIMOXBOHQZ-STQMWFEESA-N 0 1 287.407 3.539 20 0 CHADMN FC(F)(F)C[C@H](NCc1ccncc1)c1ccccc1 ZINC000037232153 260076428 /nfs/dbraw/zinc/07/64/28/260076428.db2.gz FCLZFYHMRLVEPZ-AWEZNQCLSA-N 0 1 280.293 3.865 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H](CO)c2cccc(F)c2)c2ccccc21 ZINC000343660944 224809381 /nfs/dbraw/zinc/80/93/81/224809381.db2.gz AKLIZYUYMCUDIZ-UUWFMWQGSA-N 0 1 285.362 3.697 20 0 CHADMN OCC[C@H](NCc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000344465882 225067349 /nfs/dbraw/zinc/06/73/49/225067349.db2.gz SZOQGAFQVANEJZ-INIZCTEOSA-N 0 1 293.769 3.692 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CC(C)(C)CC(C)(C)C2)c1 ZINC000344976004 225236727 /nfs/dbraw/zinc/23/67/27/225236727.db2.gz MBELWWPRWCPJCC-UHFFFAOYSA-N 0 1 299.418 3.770 20 0 CHADMN CS[C@H]1CC[C@@H]1NCc1csc(-c2ccccc2)n1 ZINC000344958055 225215474 /nfs/dbraw/zinc/21/54/74/225215474.db2.gz IQFYYSGFDXEDFQ-KBPBESRZSA-N 0 1 290.457 3.794 20 0 CHADMN Cc1c(C(=O)Nc2ccc(F)c(F)c2O)ccn1C(C)C ZINC000334747020 225271829 /nfs/dbraw/zinc/27/18/29/225271829.db2.gz JIJZJVVMOXVTKE-UHFFFAOYSA-N 0 1 294.301 3.614 20 0 CHADMN Clc1ccc(CN2CCSC3(CCC3)CC2)nc1 ZINC000334732470 225293995 /nfs/dbraw/zinc/29/39/95/225293995.db2.gz FFVFROLAHIXHLM-UHFFFAOYSA-N 0 1 282.840 3.597 20 0 CHADMN Cc1ccncc1CN1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000334767471 225313387 /nfs/dbraw/zinc/31/33/87/225313387.db2.gz AESWRZRFVYOZOV-DGCLKSJQSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1ccncc1CN1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000334767459 225314274 /nfs/dbraw/zinc/31/42/74/225314274.db2.gz AESWRZRFVYOZOV-AAEUAGOBSA-N 0 1 272.314 3.553 20 0 CHADMN C[C@H](N[C@@H]1CCCN(C)c2ccccc21)c1cncc(F)c1 ZINC000334684125 225248143 /nfs/dbraw/zinc/24/81/43/225248143.db2.gz DGGAMZLYRVMAHM-SUMWQHHRSA-N 0 1 299.393 3.843 20 0 CHADMN c1sc(CN2CCC[C@]3(CCSC3)C2)nc1C1CC1 ZINC000334656767 225260094 /nfs/dbraw/zinc/26/00/94/225260094.db2.gz YVUOKDHGYIXVPQ-HNNXBMFYSA-N 0 1 294.489 3.740 20 0 CHADMN c1ccc2ncc(CN3CCC[C@H]3c3cccnc3)cc2c1 ZINC000346974069 226000758 /nfs/dbraw/zinc/00/07/58/226000758.db2.gz IZYUHIGCBCUXAA-IBGZPJMESA-N 0 1 289.382 3.967 20 0 CHADMN Fc1ccccc1CN1CCC[C@H]1c1cccnc1 ZINC000346978618 226003710 /nfs/dbraw/zinc/00/37/10/226003710.db2.gz UJHUYAUUBSYAHP-INIZCTEOSA-N 0 1 256.324 3.558 20 0 CHADMN COc1ccncc1CN(C)[C@H](c1ccccc1)C(C)C ZINC000347060604 226008123 /nfs/dbraw/zinc/00/81/23/226008123.db2.gz SVUARCVUKGIEIZ-SFHVURJKSA-N 0 1 284.403 3.919 20 0 CHADMN Cc1ccccc1C1CCN(Cc2cncc(F)c2)CC1 ZINC000347046004 226027970 /nfs/dbraw/zinc/02/79/70/226027970.db2.gz GERSELHXQQHRLE-UHFFFAOYSA-N 0 1 284.378 3.909 20 0 CHADMN Cc1oncc1CN[C@@H](c1ccccc1)C(C)(C)C ZINC000347265195 226105332 /nfs/dbraw/zinc/10/53/32/226105332.db2.gz JGZMJSAQDPXAMM-HNNXBMFYSA-N 0 1 258.365 3.860 20 0 CHADMN C[C@@H]1c2cc(F)cc(F)c2CCN1CC[C@@H]1CCCCO1 ZINC000347467401 226163802 /nfs/dbraw/zinc/16/38/02/226163802.db2.gz QXUDUNOTAJMCEI-OCCSQVGLSA-N 0 1 295.373 3.843 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1cscc1Br ZINC000347656025 226228160 /nfs/dbraw/zinc/22/81/60/226228160.db2.gz TXPMCYFJKZEWEI-QMMMGPOBSA-N 0 1 274.227 3.741 20 0 CHADMN Cc1nnc(CN([C@H](C)c2ccccc2)C2CCCC2)o1 ZINC000347701271 226238874 /nfs/dbraw/zinc/23/88/74/226238874.db2.gz CPMSDCPCGWJNGS-CYBMUJFWSA-N 0 1 285.391 3.884 20 0 CHADMN CSC1(CN(C)Cc2ccc(F)cc2Cl)CC1 ZINC000347789622 226375970 /nfs/dbraw/zinc/37/59/70/226375970.db2.gz UOVDGIQKJJEDBW-UHFFFAOYSA-N 0 1 273.804 3.807 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2cc(F)ccc2C)on1 ZINC000352691630 227161269 /nfs/dbraw/zinc/16/12/69/227161269.db2.gz MVIBXRUBLOHXFG-OAHLLOKOSA-N 0 1 274.339 3.768 20 0 CHADMN Cc1cccc(NC[C@H](c2ccccc2Cl)N(C)C)n1 ZINC000354870733 227188988 /nfs/dbraw/zinc/18/89/88/227188988.db2.gz KOGQBBVPWAVKFW-OAHLLOKOSA-N 0 1 289.810 3.758 20 0 CHADMN Clc1ccc(CNCc2ccc3occc3c2)nc1 ZINC000352731943 227194152 /nfs/dbraw/zinc/19/41/52/227194152.db2.gz LKDJLZUVWCZAPA-UHFFFAOYSA-N 0 1 272.735 3.771 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Cl)o2)CC12CCC2 ZINC000354906063 227221552 /nfs/dbraw/zinc/22/15/52/227221552.db2.gz MDMNEZDLZUCKIO-NSHDSACASA-N 0 1 253.773 3.945 20 0 CHADMN Cc1cccc(NCCc2c[nH]c3ccc(F)cc23)n1 ZINC000354884590 227201241 /nfs/dbraw/zinc/20/12/41/227201241.db2.gz UGYVBQDCPNEHAT-UHFFFAOYSA-N 0 1 269.323 3.665 20 0 CHADMN C[C@@H]1CSC[C@H]1NCc1csc(-c2cccs2)n1 ZINC000352814249 227251727 /nfs/dbraw/zinc/25/17/27/227251727.db2.gz GWDVCFRGVGTHNX-MWLCHTKSSA-N 0 1 296.486 3.713 20 0 CHADMN Cc1cc(Cl)cc(CN(C)Cc2cccnc2)c1 ZINC000352830324 227306055 /nfs/dbraw/zinc/30/60/55/227306055.db2.gz JNBYBUAGQXXIAD-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1conc1C ZINC000352820103 227257405 /nfs/dbraw/zinc/25/74/05/227257405.db2.gz YMRCVSQYHINEFV-ABAIWWIYSA-N 0 1 294.782 3.502 20 0 CHADMN c1sc(C2CC2)nc1CNCC1(c2ccccn2)CCC1 ZINC000353093049 228039976 /nfs/dbraw/zinc/03/99/76/228039976.db2.gz RXQLOOWGFIDQRA-UHFFFAOYSA-N 0 1 299.443 3.627 20 0 CHADMN CCc1nocc1CN(CC)Cc1c[nH]c2ccccc12 ZINC000353118569 228060817 /nfs/dbraw/zinc/06/08/17/228060817.db2.gz LPXHRXGNPNAKRQ-UHFFFAOYSA-N 0 1 283.375 3.740 20 0 CHADMN Cc1ccc(F)c(CNC(C)(C)c2ccc(C)nc2)c1 ZINC000353129427 228062327 /nfs/dbraw/zinc/06/23/27/228062327.db2.gz NAMQYIRODLQEPG-UHFFFAOYSA-N 0 1 272.367 3.862 20 0 CHADMN C[C@H](NCc1cccn1C)c1cc2cccc(F)c2o1 ZINC000353238257 228073509 /nfs/dbraw/zinc/07/35/09/228073509.db2.gz PJPUSTHXWOETIC-NSHDSACASA-N 0 1 272.323 3.761 20 0 CHADMN Cc1nc2ccccn2c1CN1Cc2ccccc2C[C@H]1C ZINC000353647059 228138575 /nfs/dbraw/zinc/13/85/75/228138575.db2.gz FTFHWVIUWGRUDH-CQSZACIVSA-N 0 1 291.398 3.590 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc3c(c2)CCC3)n1 ZINC000353772173 228151932 /nfs/dbraw/zinc/15/19/32/228151932.db2.gz ZMFFZUXZLFCMPO-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN C[C@@]1(C(N)=O)CCCCN1CCOC1CCCCCC1 ZINC000332262474 228153873 /nfs/dbraw/zinc/15/38/73/228153873.db2.gz AYCHCBXOAIHSHG-INIZCTEOSA-N 0 1 282.428 3.506 20 0 CHADMN Cc1ccc([C@@H]2[C@@H](C)CCCN2Cc2nccn2C)cc1 ZINC000353823905 228156900 /nfs/dbraw/zinc/15/69/00/228156900.db2.gz MPSMBXMIAUNZBG-YJBOKZPZSA-N 0 1 283.419 3.702 20 0 CHADMN C[C@H]1N(Cc2cccc(-c3ccccn3)c2)CCOC1(C)C ZINC000353889473 228162929 /nfs/dbraw/zinc/16/29/29/228162929.db2.gz XTXXVQRDAWYWEN-OAHLLOKOSA-N 0 1 296.414 3.748 20 0 CHADMN Fc1ccc(CN2CCCC3(CC3)C2)c(Cl)c1 ZINC000351941969 228170733 /nfs/dbraw/zinc/17/07/33/228170733.db2.gz ZBZGMXASTKJHCS-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN Oc1cc(F)cc(CN(Cc2ccc(F)cc2)C2CC2)c1 ZINC000351995428 228173382 /nfs/dbraw/zinc/17/33/82/228173382.db2.gz KEGWSBDPCANSBY-UHFFFAOYSA-N 0 1 289.325 3.835 20 0 CHADMN COCCN(CC[C@H](C)F)Cc1ccc(F)cc1Cl ZINC000352030247 228176550 /nfs/dbraw/zinc/17/65/50/228176550.db2.gz UMLAFUZCFOIENF-NSHDSACASA-N 0 1 291.769 3.676 20 0 CHADMN CCOc1cccc(CN2CCC[C@@H]2c2cc(C)no2)c1 ZINC000352088229 228181346 /nfs/dbraw/zinc/18/13/46/228181346.db2.gz XCTBQOHKXWJFAW-MRXNPFEDSA-N 0 1 286.375 3.719 20 0 CHADMN CO[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000352091610 228181489 /nfs/dbraw/zinc/18/14/89/228181489.db2.gz GFKXVNRYPRTZSE-YGRLFVJLSA-N 0 1 288.218 3.993 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2ccc3c(c2)CCC3)on1 ZINC000352097220 228182391 /nfs/dbraw/zinc/18/23/91/228182391.db2.gz PHOOAAZVQSMAJX-QGZVFWFLSA-N 0 1 282.387 3.809 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCCC2(CC2)C1 ZINC000352267782 228210969 /nfs/dbraw/zinc/21/09/69/228210969.db2.gz VPSPJNOMGPAYRQ-LLVKDONJSA-N 0 1 251.320 3.902 20 0 CHADMN Cc1cnc(C2CCN(Cc3cccc(C)n3)CC2)s1 ZINC000336130680 228193385 /nfs/dbraw/zinc/19/33/85/228193385.db2.gz SUVXAIIYHNJGOM-UHFFFAOYSA-N 0 1 287.432 3.535 20 0 CHADMN CC(C)CN(CCc1ccccc1)Cc1nnc(C2CC2)o1 ZINC000521369713 260088165 /nfs/dbraw/zinc/08/81/65/260088165.db2.gz MMEAHXBCCWSTGI-UHFFFAOYSA-N 0 1 299.418 3.648 20 0 CHADMN Fc1cccc([C@H]2CCCN2Cc2cnn3ccccc23)c1 ZINC000180155215 260094664 /nfs/dbraw/zinc/09/46/64/260094664.db2.gz RHWRZDIYYUFPKG-QGZVFWFLSA-N 0 1 295.361 3.811 20 0 CHADMN COCc1ccccc1CNCc1ccc(F)cc1Cl ZINC000037763027 260116671 /nfs/dbraw/zinc/11/66/71/260116671.db2.gz BTQHPZLQCIKLIL-UHFFFAOYSA-N 0 1 293.769 3.915 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cccc2O)c1ccccc1F ZINC000037764573 260116900 /nfs/dbraw/zinc/11/69/00/260116900.db2.gz HKHYWEUKAGHXHL-MEDUHNTESA-N 0 1 271.335 3.869 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCC[C@@H]1CC ZINC000037914556 260120075 /nfs/dbraw/zinc/12/00/75/260120075.db2.gz JJPWHRPNXKRBNT-INIZCTEOSA-N 0 1 275.392 3.662 20 0 CHADMN Brc1ccc(CN2CC[C@H](C3CC3)C2)s1 ZINC000307271565 260136928 /nfs/dbraw/zinc/13/69/28/260136928.db2.gz NPMNAAPNRORHQW-JTQLQIEISA-N 0 1 286.238 3.743 20 0 CHADMN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCCC23CCCC3)n1 ZINC000312519251 260138495 /nfs/dbraw/zinc/13/84/95/260138495.db2.gz IBHARDZHNJJGGH-MRXNPFEDSA-N 0 1 274.408 3.688 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cnc3ccsc3c2)cn1 ZINC000068690633 260145593 /nfs/dbraw/zinc/14/55/93/260145593.db2.gz NXLQGPODTGDXAW-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN CC[C@@H](N[C@H](C)c1nccn1C)c1ccc(C)cc1 ZINC000070444357 260157869 /nfs/dbraw/zinc/15/78/69/260157869.db2.gz TVVMKAJGJOQRLY-UKRRQHHQSA-N 0 1 257.381 3.530 20 0 CHADMN CCC[C@@H](NCc1cn2ccccc2n1)c1ccccc1 ZINC000072835458 260164745 /nfs/dbraw/zinc/16/47/45/260164745.db2.gz QKDVEEQYGBOFDY-QGZVFWFLSA-N 0 1 279.387 3.965 20 0 CHADMN C[N@@H+](CCCc1ccccc1)Cc1csc(C(=O)[O-])c1 ZINC000517381756 260174052 /nfs/dbraw/zinc/17/40/52/260174052.db2.gz NZNROLGZBAORNA-UHFFFAOYSA-N 0 1 289.400 3.511 20 0 CHADMN C[C@@]1(CNCc2cc(Cl)sc2Cl)CCCO1 ZINC000312614609 260183009 /nfs/dbraw/zinc/18/30/09/260183009.db2.gz BJMSWGJGTQDUKB-NSHDSACASA-N 0 1 280.220 3.714 20 0 CHADMN Clc1cc(CN[C@@H]2CCO[C@H]2C2CC2)c(Cl)s1 ZINC000312619173 260183983 /nfs/dbraw/zinc/18/39/83/260183983.db2.gz TZSKYYLMKRVHDX-KOLCDFICSA-N 0 1 292.231 3.712 20 0 CHADMN COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000517543098 260191088 /nfs/dbraw/zinc/19/10/88/260191088.db2.gz QWFSFRJAGMQGMZ-NSHDSACASA-N 0 1 299.349 3.561 20 0 CHADMN COc1ccc(F)cc1[C@H](C)NCc1ccc2[nH]cnc2c1 ZINC000517543098 260191089 /nfs/dbraw/zinc/19/10/89/260191089.db2.gz QWFSFRJAGMQGMZ-NSHDSACASA-N 0 1 299.349 3.561 20 0 CHADMN COc1ccc(F)cc1[C@H](C)NCc1ccc2nc[nH]c2c1 ZINC000517543098 260191091 /nfs/dbraw/zinc/19/10/91/260191091.db2.gz QWFSFRJAGMQGMZ-NSHDSACASA-N 0 1 299.349 3.561 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809103 260210125 /nfs/dbraw/zinc/21/01/25/260210125.db2.gz VIUZYRBTXMIKKI-QWHCGFSZSA-N 0 1 295.810 3.978 20 0 CHADMN C[C@@H](N[C@@H]1COCC1(C)C)c1ccccc1Br ZINC000312997707 260230398 /nfs/dbraw/zinc/23/03/98/260230398.db2.gz LWWWKJWDSUNTDF-ZWNOBZJWSA-N 0 1 298.224 3.525 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc(O)c2)cc1F ZINC000088511380 260233058 /nfs/dbraw/zinc/23/30/58/260233058.db2.gz RYZCLKMJQXHFRR-GFCCVEGCSA-N 0 1 259.324 3.691 20 0 CHADMN CC1(C)COC[C@H]1NCc1cc(Cl)ccc1Cl ZINC000313064694 260242876 /nfs/dbraw/zinc/24/28/76/260242876.db2.gz RICVBEHSVIOZHT-GFCCVEGCSA-N 0 1 274.191 3.508 20 0 CHADMN CC1(C)C(NCc2csc(-c3ccccn3)n2)C1(C)C ZINC000092816211 260271812 /nfs/dbraw/zinc/27/18/12/260271812.db2.gz CEAZITRIXJUDOF-UHFFFAOYSA-N 0 1 287.432 3.729 20 0 CHADMN Cc1ccc(-c2cc(C[N@H+](C)C3CCC3)on2)cc1 ZINC000075841102 260291720 /nfs/dbraw/zinc/29/17/20/260291720.db2.gz FSHMIUYKSQOJFA-UHFFFAOYSA-N 0 1 256.349 3.634 20 0 CHADMN C[C@H](Cc1coc2ccccc12)N[C@H](C)c1ccon1 ZINC000449240331 260304213 /nfs/dbraw/zinc/30/42/13/260304213.db2.gz YLMKKJBUCVWTKZ-VXGBXAGGSA-N 0 1 270.332 3.703 20 0 CHADMN Cc1ccc2[nH]c(C[N@H+](C)[C@H](CO)CC(C)C)cc2c1C ZINC000518010444 260333997 /nfs/dbraw/zinc/33/39/97/260333997.db2.gz NTLHUPWDDHDRGY-INIZCTEOSA-N 0 1 288.435 3.624 20 0 CHADMN CC[C@H](COC)N[C@@H](C)c1c(F)cccc1Cl ZINC000090180405 260336283 /nfs/dbraw/zinc/33/62/83/260336283.db2.gz RXXOSGWBRVZVFH-VHSXEESVSA-N 0 1 259.752 3.555 20 0 CHADMN COc1cc(F)cc(CN2CC[C@H](CC(F)(F)F)C2)c1 ZINC000449283928 260357588 /nfs/dbraw/zinc/35/75/88/260357588.db2.gz NISYNPZEECTFQL-SNVBAGLBSA-N 0 1 291.288 3.609 20 0 CHADMN Cc1cnc(CNc2ccc(CN(C)C)c(Cl)c2)s1 ZINC000449301792 260380398 /nfs/dbraw/zinc/38/03/98/260380398.db2.gz SIISTWWWBBEGAP-UHFFFAOYSA-N 0 1 295.839 3.779 20 0 CHADMN Cc1nnsc1CN[C@H](c1ccccc1)C1CCCC1 ZINC000426293135 260411066 /nfs/dbraw/zinc/41/10/66/260411066.db2.gz XDIMJBDPMNXTSO-MRXNPFEDSA-N 0 1 287.432 3.868 20 0 CHADMN C[C@H](NCc1ccc(OC(F)F)cc1)c1ccc(F)cn1 ZINC000147620111 260847469 /nfs/dbraw/zinc/84/74/69/260847469.db2.gz MVMWZGMZHYQEQN-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN CCc1nc(C)c([C@@H](C)N[C@H](C)c2ccccn2)s1 ZINC000152318494 261062990 /nfs/dbraw/zinc/06/29/90/261062990.db2.gz IJYQDIJIISCPTM-GHMZBOCLSA-N 0 1 275.421 3.821 20 0 CHADMN Cc1nc(C)c(CNC2(c3cccc(F)c3)CC2)s1 ZINC000152856043 261070511 /nfs/dbraw/zinc/07/05/11/261070511.db2.gz LZJBNXRVJKELFN-UHFFFAOYSA-N 0 1 276.380 3.678 20 0 CHADMN c1cc([C@@H]2CCCN2Cc2cncs2)cs1 ZINC000153534315 261079640 /nfs/dbraw/zinc/07/96/40/261079640.db2.gz JUOHGKYOVUAZNF-LBPRGKRZSA-N 0 1 250.392 3.542 20 0 CHADMN Cc1nc([C@H]2CCCN2CC[C@H]2CCCCO2)cs1 ZINC000360614311 261085136 /nfs/dbraw/zinc/08/51/36/261085136.db2.gz RVEVOKYPJIPVFE-UKRRQHHQSA-N 0 1 280.437 3.548 20 0 CHADMN Cc1ccccc1[C@H](C)Sc1nc(C2CC2)n[nH]1 ZINC000154065261 261087151 /nfs/dbraw/zinc/08/71/51/261087151.db2.gz UTOQBABCMACWKT-JTQLQIEISA-N 0 1 259.378 3.844 20 0 CHADMN Cc1ccccc1[C@H](C)Sc1n[nH]c(C2CC2)n1 ZINC000154065261 261087153 /nfs/dbraw/zinc/08/71/53/261087153.db2.gz UTOQBABCMACWKT-JTQLQIEISA-N 0 1 259.378 3.844 20 0 CHADMN Cn1cncc1CN[C@H](c1ccccc1F)C1CCCC1 ZINC000154233520 261089340 /nfs/dbraw/zinc/08/93/40/261089340.db2.gz AAGJWTOTUUKAAY-KRWDZBQOSA-N 0 1 287.382 3.580 20 0 CHADMN CC(C)(C)c1cnc(CN2C[C@H]3CCC[C@@H]3C2)s1 ZINC000448335004 261116587 /nfs/dbraw/zinc/11/65/87/261116587.db2.gz NDNZVRBZCPILQB-VXGBXAGGSA-N 0 1 264.438 3.673 20 0 CHADMN CC[C@@H](C)CN(C)Cc1ncc(C(C)(C)C)s1 ZINC000448335311 261116958 /nfs/dbraw/zinc/11/69/58/261116958.db2.gz QHCNIUSTVGHGIC-LLVKDONJSA-N 0 1 254.443 3.919 20 0 CHADMN C[C@H]1CN(Cc2ncc(C(C)(C)C)s2)C[C@@H]1C ZINC000448336226 261117346 /nfs/dbraw/zinc/11/73/46/261117346.db2.gz ARHJMELLKDFCKK-QWRGUYRKSA-N 0 1 252.427 3.528 20 0 CHADMN CO[C@](C)(CN[C@@H](C)c1csc(C(C)C)n1)C1CC1 ZINC000361000308 261145649 /nfs/dbraw/zinc/14/56/49/261145649.db2.gz YQKPEKQPICHCGM-XHDPSFHLSA-N 0 1 282.453 3.732 20 0 CHADMN CCOCCO[C@H]1CCN([C@@H](C)c2ccccc2Cl)C1 ZINC000157697397 261150720 /nfs/dbraw/zinc/15/07/20/261150720.db2.gz PTKCQMPDRLCJOF-KBPBESRZSA-N 0 1 297.826 3.528 20 0 CHADMN COc1cccc(CN(C)[C@@H](C)c2cccs2)c1OC ZINC000157831487 261153067 /nfs/dbraw/zinc/15/30/67/261153067.db2.gz RYEMFCCXJKZSLW-LBPRGKRZSA-N 0 1 291.416 3.958 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1cccc(Cl)n1 ZINC000173476394 261163273 /nfs/dbraw/zinc/16/32/73/261163273.db2.gz XIHJYDLZHMQKOP-GFCCVEGCSA-N 0 1 260.768 3.928 20 0 CHADMN COCc1cccc(CN[C@H](C)c2cccnc2Cl)c1 ZINC000158526700 261166324 /nfs/dbraw/zinc/16/63/24/261166324.db2.gz MYYNULQPSZSNMF-GFCCVEGCSA-N 0 1 290.794 3.732 20 0 CHADMN c1coc(-c2cc(CN3CCC[C@@H]4CCC[C@@H]43)no2)c1 ZINC000173815003 261171800 /nfs/dbraw/zinc/17/18/00/261171800.db2.gz HNFPHLZVQUCGAQ-JSGCOSHPSA-N 0 1 272.348 3.699 20 0 CHADMN C[C@@H](c1ccco1)N(C(=O)c1cccc2[nH]cnc21)C1CC1 ZINC000159134251 261179479 /nfs/dbraw/zinc/17/94/79/261179479.db2.gz RULVCTYLELZWNY-NSHDSACASA-N 0 1 295.342 3.522 20 0 CHADMN CO[C@H](C)c1nc(CN(C)C2CCCCC2)cs1 ZINC000175060960 261206939 /nfs/dbraw/zinc/20/69/39/261206939.db2.gz CUGUWADVWBNCKH-LLVKDONJSA-N 0 1 268.426 3.615 20 0 CHADMN Cc1ccc(-c2nc(CN3CC[C@@H](C)[C@H]3C)cs2)o1 ZINC000361341094 261210076 /nfs/dbraw/zinc/21/00/76/261210076.db2.gz MBNWDVXYHVHUMR-ZYHUDNBSSA-N 0 1 276.405 3.942 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cncc(C(F)(F)F)c2)C1 ZINC000361382955 261231365 /nfs/dbraw/zinc/23/13/65/261231365.db2.gz YNQWOMSZYTZCTC-IJLUTSLNSA-N 0 1 286.341 3.967 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccnc(N3CCCCC3)c2)o1 ZINC000162478315 261282692 /nfs/dbraw/zinc/28/26/92/261282692.db2.gz ZNNDCAFQKHCHQT-OAHLLOKOSA-N 0 1 299.418 3.824 20 0 CHADMN CC[C@H](C)N(C)Cc1coc(-c2cccs2)n1 ZINC000104687712 261298022 /nfs/dbraw/zinc/29/80/22/261298022.db2.gz XPTIXFFRBGRCAI-JTQLQIEISA-N 0 1 250.367 3.633 20 0 CHADMN COc1ccc([C@@H](N[C@H](C)c2cnccn2)C(C)C)cc1 ZINC000163042333 261303097 /nfs/dbraw/zinc/30/30/97/261303097.db2.gz BUDJIYKPEIGDFN-DYVFJYSZSA-N 0 1 285.391 3.533 20 0 CHADMN COc1ccc([C@@H](N[C@@H](C)c2cnccn2)C(C)C)cc1 ZINC000163042114 261303132 /nfs/dbraw/zinc/30/31/32/261303132.db2.gz BUDJIYKPEIGDFN-GUYCJALGSA-N 0 1 285.391 3.533 20 0 CHADMN C[C@H](NCC1=CCCOC1)c1ccc(Cl)cc1Cl ZINC000176824862 261310318 /nfs/dbraw/zinc/31/03/18/261310318.db2.gz NJAKKKQTPNLLSD-JTQLQIEISA-N 0 1 286.202 3.991 20 0 CHADMN CN(Cc1ccc(Cl)s1)Cc1ccc(CO)cc1 ZINC000163407305 261315611 /nfs/dbraw/zinc/31/56/11/261315611.db2.gz XGFBNFPSFWABDX-UHFFFAOYSA-N 0 1 281.808 3.526 20 0 CHADMN CC[C@@H](C)CN1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000491133996 261344209 /nfs/dbraw/zinc/34/42/09/261344209.db2.gz UXYPZXAFKILZNL-WBMJQRKESA-N 0 1 265.372 3.554 20 0 CHADMN CCc1ccc(CN[C@H](C)c2cncc(F)c2)cc1 ZINC000178169533 261379161 /nfs/dbraw/zinc/37/91/61/261379161.db2.gz QSOJCORLKPGRDB-GFCCVEGCSA-N 0 1 258.340 3.634 20 0 CHADMN COc1ncccc1CN[C@H]1CCCc2ccc(C)cc21 ZINC000166119094 261383462 /nfs/dbraw/zinc/38/34/62/261383462.db2.gz VPVPHBJBBUWAQV-KRWDZBQOSA-N 0 1 282.387 3.566 20 0 CHADMN CC(C)C[C@H]1CCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000180104156 261420971 /nfs/dbraw/zinc/42/09/71/261420971.db2.gz XFOWVHNEYMTUMS-LLVKDONJSA-N 0 1 281.783 3.554 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(Cl)cn2)cc1 ZINC000182121657 261923955 /nfs/dbraw/zinc/92/39/55/261923955.db2.gz SKYDNZFLEMCZBD-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1cncc([C@H](C)N[C@H]2CCCOc3ccccc32)c1 ZINC000184333955 262016720 /nfs/dbraw/zinc/01/67/20/262016720.db2.gz GKEDCGOLWXSZDU-YOEHRIQHSA-N 0 1 282.387 3.955 20 0 CHADMN CCCC[C@@H]1CCC[C@H]1NCc1csc(NC(C)=O)n1 ZINC000184702201 262027239 /nfs/dbraw/zinc/02/72/39/262027239.db2.gz JXAYQGPTMPPBOR-TZMCWYRMSA-N 0 1 295.452 3.550 20 0 CHADMN C[C@@H]1CCCc2ccccc2[C@@H]1NCc1cscn1 ZINC000185086578 262040457 /nfs/dbraw/zinc/04/04/57/262040457.db2.gz JCKHVQQWTHBNLO-MLGOLLRUSA-N 0 1 272.417 3.946 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2CCC[C@@H]1C)c1cnccn1 ZINC000185284637 262048173 /nfs/dbraw/zinc/04/81/73/262048173.db2.gz VYSVOUKJSALGIX-SUNYJGFJSA-N 0 1 281.403 3.841 20 0 CHADMN Oc1cc(F)cc(CN[C@@H]2CCCOc3ccccc32)c1 ZINC000185503113 262057057 /nfs/dbraw/zinc/05/70/57/262057057.db2.gz GJCVPRKHZNOPRI-MRXNPFEDSA-N 0 1 287.334 3.535 20 0 CHADMN COc1ccccc1C(C)(C)NCc1cc(O)cc(F)c1 ZINC000185513563 262058199 /nfs/dbraw/zinc/05/81/99/262058199.db2.gz GTMZNQHTAAMKAI-UHFFFAOYSA-N 0 1 289.350 3.565 20 0 CHADMN CCSc1cccc(CN[C@@H]2c3ccccc3C[C@H]2O)c1 ZINC000185570671 262060105 /nfs/dbraw/zinc/06/01/05/262060105.db2.gz SHMGJSMEHZDNGC-QZTJIDSGSA-N 0 1 299.439 3.547 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1cc(-c2ccco2)on1 ZINC000108864624 262064936 /nfs/dbraw/zinc/06/49/36/262064936.db2.gz DYOZVCAZKKFEEC-TXEJJXNPSA-N 0 1 260.337 3.698 20 0 CHADMN CCC[C@@H](CC)NCc1ncc(-c2ccccc2)cn1 ZINC000186051495 262077304 /nfs/dbraw/zinc/07/73/04/262077304.db2.gz WOSZBMXXQVNSBP-MRXNPFEDSA-N 0 1 269.392 3.812 20 0 CHADMN COC[C@@H](N[C@H](C)c1sccc1OC)c1ccccc1 ZINC000186211995 262084450 /nfs/dbraw/zinc/08/44/50/262084450.db2.gz NURNRIBJVGQDTJ-TZMCWYRMSA-N 0 1 291.416 3.795 20 0 CHADMN CC(C)c1nc([C@H](C)NCCc2ccccc2O)cs1 ZINC000186307022 262087512 /nfs/dbraw/zinc/08/75/12/262087512.db2.gz UILNMUVUCLQPFI-LBPRGKRZSA-N 0 1 290.432 3.865 20 0 CHADMN FC(F)(F)[C@H](CNCc1ccco1)c1ccccc1 ZINC000186440141 262093394 /nfs/dbraw/zinc/09/33/94/262093394.db2.gz HQKQPYANGRJOMO-CYBMUJFWSA-N 0 1 269.266 3.715 20 0 CHADMN CCC[C@@H](N[C@@H](CCO)c1ccco1)c1ccccc1 ZINC000186522960 262097109 /nfs/dbraw/zinc/09/71/09/262097109.db2.gz UWMTVILEDUEXFK-CVEARBPZSA-N 0 1 273.376 3.834 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](CCO)c1ccco1)CCC2 ZINC000186527577 262097342 /nfs/dbraw/zinc/09/73/42/262097342.db2.gz DACVLBRGFVDQSX-IAGOWNOFSA-N 0 1 285.387 3.679 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccco1)c1ccc2c(c1)CCC2 ZINC000186562493 262099039 /nfs/dbraw/zinc/09/90/39/262099039.db2.gz YVQDVZLVLYXUPL-CXAGYDPISA-N 0 1 285.387 3.543 20 0 CHADMN c1csc([C@H]2CSCCN2C[C@H]2CC=CCC2)n1 ZINC000186652809 262104241 /nfs/dbraw/zinc/10/42/41/262104241.db2.gz OMOXWPLDIQHXJL-QWHCGFSZSA-N 0 1 280.462 3.589 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCCC(C)(C)C2)c1 ZINC000497365414 262146964 /nfs/dbraw/zinc/14/69/64/262146964.db2.gz NAXMRACNTQXMBZ-OAHLLOKOSA-N 0 1 288.435 3.752 20 0 CHADMN C[C@H](NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000119121294 262153364 /nfs/dbraw/zinc/15/33/64/262153364.db2.gz HYRUQAMUCIBMTL-RDJZCZTQSA-N 0 1 284.403 3.595 20 0 CHADMN CC[C@H]1C[C@@]1(NCc1cncc(F)c1)c1cccc(C)c1 ZINC000500531061 262156563 /nfs/dbraw/zinc/15/65/63/262156563.db2.gz JIHOTUIGUNQOSL-YJBOKZPZSA-N 0 1 284.378 3.944 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1cccs1 ZINC000020139300 262194055 /nfs/dbraw/zinc/19/40/55/262194055.db2.gz ZCGFLPVPYBBMIQ-GFCCVEGCSA-N 0 1 261.390 3.998 20 0 CHADMN Cc1ccc(/C=C/C(=O)Nc2cc(Cl)c(O)cc2F)o1 ZINC000492894707 262245742 /nfs/dbraw/zinc/24/57/42/262245742.db2.gz OFEXKQAUQWWWNL-SNAWJCMRSA-N 0 1 295.697 3.738 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)C3CC3)n[nH]2)c(C)c1 ZINC000188219346 262285760 /nfs/dbraw/zinc/28/57/60/262285760.db2.gz OASWJKMMNCBZHO-CYBMUJFWSA-N 0 1 297.402 3.564 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1cccc(F)c1 ZINC000221689545 262290767 /nfs/dbraw/zinc/29/07/67/262290767.db2.gz LWWUIQVUEFBFQO-MNOVXSKESA-N 0 1 262.303 3.772 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H](C)c1cncc(F)c1 ZINC000221768113 262295681 /nfs/dbraw/zinc/29/56/81/262295681.db2.gz MZADYHWUPHUWRS-RYUDHWBXSA-N 0 1 274.339 3.641 20 0 CHADMN CCc1nc(CN[C@@H](C)c2cc(Cl)ccc2Cl)n[nH]1 ZINC000186755561 262323048 /nfs/dbraw/zinc/32/30/48/262323048.db2.gz BKZGAFCTYDNXIG-QMMMGPOBSA-N 0 1 299.205 3.525 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@@H]2CCCC2(F)F)c1Cl ZINC000390895620 262359891 /nfs/dbraw/zinc/35/98/91/262359891.db2.gz CWSHBDBLIGVFCS-JTQLQIEISA-N 0 1 275.726 3.571 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H](C)c1cccc(F)c1 ZINC000187037052 262376306 /nfs/dbraw/zinc/37/63/06/262376306.db2.gz OEDRWOMLXOIJFB-VXGBXAGGSA-N 0 1 274.339 3.641 20 0 CHADMN COc1cccc([C@@H](C)N[C@@H](C)c2ccncc2OC)c1 ZINC000187101495 262379909 /nfs/dbraw/zinc/37/99/09/262379909.db2.gz WFAJEJCPUXVFCS-OLZOCXBDSA-N 0 1 286.375 3.511 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1ccnc(C)c1 ZINC000391188372 262387276 /nfs/dbraw/zinc/38/72/76/262387276.db2.gz UHCXAOWSTSBOPM-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN C[C@@H](NCc1cnn(-c2ccccc2)c1)c1ccsc1 ZINC000061360646 262394958 /nfs/dbraw/zinc/39/49/58/262394958.db2.gz FGAUGNRBPYZOEZ-CYBMUJFWSA-N 0 1 283.400 3.785 20 0 CHADMN C[C@@H](N[C@H]1c2ccccc2CCC1(C)C)c1ccn(C)n1 ZINC000414089083 262803415 /nfs/dbraw/zinc/80/34/15/262803415.db2.gz ADPTZRZGQWDSLO-DYVFJYSZSA-N 0 1 283.419 3.784 20 0 CHADMN CC(C)=CCC[C@H](C)NCc1nccc(C(F)(F)F)n1 ZINC000414238282 262821842 /nfs/dbraw/zinc/82/18/42/262821842.db2.gz JYTBILISQOYVAV-NSHDSACASA-N 0 1 287.329 3.720 20 0 CHADMN CCn1ccc(CN[C@@H](CC(C)C)c2cccs2)n1 ZINC000414207905 262825006 /nfs/dbraw/zinc/82/50/06/262825006.db2.gz KUHPOVCHGHGLAO-AWEZNQCLSA-N 0 1 277.437 3.842 20 0 CHADMN CC[C@H](C[C@@H](C)CC)NCc1nccc(C(F)(F)F)n1 ZINC000414256656 262830991 /nfs/dbraw/zinc/83/09/91/262830991.db2.gz NZGVFUFUCSKXGB-WDEREUQCSA-N 0 1 289.345 3.800 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2ccc3c(c2)CCCC3)cn1 ZINC000414269113 262832967 /nfs/dbraw/zinc/83/29/67/262832967.db2.gz VADRTXXAIXIGSA-AWEZNQCLSA-N 0 1 295.430 3.769 20 0 CHADMN C[C@@H](CCc1ccccc1)NCc1nnc(C2CC2)s1 ZINC000414334621 262845989 /nfs/dbraw/zinc/84/59/89/262845989.db2.gz XOCJGPIEFWHWFR-LBPRGKRZSA-N 0 1 287.432 3.526 20 0 CHADMN c1cc(CN[C@@H](CC2CCC2)c2ccccc2)on1 ZINC000272545700 263006152 /nfs/dbraw/zinc/00/61/52/263006152.db2.gz OBQYTMFYHICUOI-INIZCTEOSA-N 0 1 256.349 3.696 20 0 CHADMN CC[C@@H](CC(F)(F)F)c1nc([C@H](N)CC(C)C)no1 ZINC000414610861 263009559 /nfs/dbraw/zinc/00/95/59/263009559.db2.gz BMSJKCKMNCAOIP-DTWKUNHWSA-N 0 1 279.306 3.562 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2CCCCC2(C)C)n1 ZINC000414613744 263009673 /nfs/dbraw/zinc/00/96/73/263009673.db2.gz GDVQFBYSDUIEAJ-RYUDHWBXSA-N 0 1 265.401 3.799 20 0 CHADMN CC(C)C[C@@H](N)c1noc(Cc2cccc(C(C)C)c2)n1 ZINC000414623105 263014487 /nfs/dbraw/zinc/01/44/87/263014487.db2.gz NHRHTSGDLHOGPT-OAHLLOKOSA-N 0 1 287.407 3.830 20 0 CHADMN CC(C)CC(CC(C)C)c1nc(C2(N)CCC2)no1 ZINC000414626000 263016340 /nfs/dbraw/zinc/01/63/40/263016340.db2.gz JBXYQKBZBNPRTB-UHFFFAOYSA-N 0 1 265.401 3.583 20 0 CHADMN CC(C)Cc1cccc([C@@H](C)c2nc(C3(N)CCC3)no2)c1 ZINC000414629230 263017022 /nfs/dbraw/zinc/01/70/22/263017022.db2.gz QIUIGKOVMACHHS-CYBMUJFWSA-N 0 1 299.418 3.758 20 0 CHADMN CCC(C)(C)c1ccc(-c2nc(C3(N)CCC3)no2)cc1 ZINC000414630591 263017105 /nfs/dbraw/zinc/01/71/05/263017105.db2.gz URSFMJJHOOAXCL-UHFFFAOYSA-N 0 1 285.391 3.762 20 0 CHADMN Cc1ccc(-c2nc(C3(N)CCCC3)no2)c2ccccc12 ZINC000414630959 263017199 /nfs/dbraw/zinc/01/71/99/263017199.db2.gz VMXLHMCUPIQWHQ-UHFFFAOYSA-N 0 1 293.370 3.926 20 0 CHADMN CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1c(Cl)oc2ccccc21 ZINC000414670920 263029309 /nfs/dbraw/zinc/02/93/09/263029309.db2.gz ADRBKTBTYFHEDL-SNVBAGLBSA-N 0 1 295.766 3.771 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1c(Cl)oc2ccccc21 ZINC000414670920 263029310 /nfs/dbraw/zinc/02/93/10/263029310.db2.gz ADRBKTBTYFHEDL-SNVBAGLBSA-N 0 1 295.766 3.771 20 0 CHADMN CC[C@H](C)[N@H+](CC(=O)[O-])C[C@H](C)c1cccc(Cl)c1 ZINC000414680153 263031021 /nfs/dbraw/zinc/03/10/21/263031021.db2.gz KSZIMMLRJYNQPL-RYUDHWBXSA-N 0 1 283.799 3.629 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2cc(C)oc2C)n[nH]1 ZINC000278871381 263051620 /nfs/dbraw/zinc/05/16/20/263051620.db2.gz WZOHHJANERXWJM-MVWJERBFSA-N 0 1 290.411 3.940 20 0 CHADMN CC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000285050950 263089641 /nfs/dbraw/zinc/08/96/41/263089641.db2.gz OBCGCIHPNFYKPR-HNNXBMFYSA-N 0 1 255.365 3.624 20 0 CHADMN CCN1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000285050950 263089642 /nfs/dbraw/zinc/08/96/42/263089642.db2.gz OBCGCIHPNFYKPR-HNNXBMFYSA-N 0 1 255.365 3.624 20 0 CHADMN Cc1csc(C2(N[C@@H]3C[C@@H]3c3ccccc3)CCC2)n1 ZINC000291252754 263121123 /nfs/dbraw/zinc/12/11/23/263121123.db2.gz WCPMPJGIRKVSSK-HUUCEWRRSA-N 0 1 284.428 3.976 20 0 CHADMN CCn1cc([C@@H](C)N[C@H](C)c2ccc3ccccc3n2)cn1 ZINC000296107837 263185668 /nfs/dbraw/zinc/18/56/68/263185668.db2.gz ZHHMGSFRRVEAAI-ZIAGYGMSSA-N 0 1 294.402 3.863 20 0 CHADMN CCn1cc([C@@H](C)N[C@H]2CC(C)(C)Cc3occc32)cn1 ZINC000296111961 263186226 /nfs/dbraw/zinc/18/62/26/263186226.db2.gz ZNKPIVKWWKUTAV-DOMZBBRYSA-N 0 1 287.407 3.860 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000453344405 263242589 /nfs/dbraw/zinc/24/25/89/263242589.db2.gz JBEQSWAFGPVILV-WOPDTQHZSA-N 0 1 261.394 3.610 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000453344359 263242681 /nfs/dbraw/zinc/24/26/81/263242681.db2.gz JBEQSWAFGPVILV-SRVKXCTJSA-N 0 1 261.394 3.610 20 0 CHADMN CC[C@@H](NCc1ncccc1OC)c1ccc(C)cc1 ZINC000453365529 263252967 /nfs/dbraw/zinc/25/29/67/263252967.db2.gz NRIGKUKXLHYFQC-OAHLLOKOSA-N 0 1 270.376 3.640 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nccnc1C)c1cccs1 ZINC000187848262 263271787 /nfs/dbraw/zinc/27/17/87/263271787.db2.gz FSVGAUMILUHEFR-NWDGAFQWSA-N 0 1 261.394 3.648 20 0 CHADMN C[C@@H]1C[C@H]1CN1CCC[C@@H]1c1ccc(Br)cn1 ZINC000453611507 263281761 /nfs/dbraw/zinc/28/17/61/263281761.db2.gz KSKFUZZUOLXADD-UHIISALHSA-N 0 1 295.224 3.637 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1cccc2ccccc21 ZINC000187894446 263290683 /nfs/dbraw/zinc/29/06/83/263290683.db2.gz QXZFUCSAZUJLQA-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN CC[C@@H](C)[C@@H](NCc1ncc[nH]1)c1ccc(Cl)cc1 ZINC000341869518 263360308 /nfs/dbraw/zinc/36/03/08/263360308.db2.gz BJJKFBCXLKZTFS-IAQYHMDHSA-N 0 1 277.799 3.940 20 0 CHADMN C[C@@H](c1noc(-c2ccccc2)n1)N1CC[C@@H](C2CC2)C1 ZINC000341902730 263365425 /nfs/dbraw/zinc/36/54/25/263365425.db2.gz NESAPVSIOITOTG-SWLSCSKDSA-N 0 1 283.375 3.530 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cnc(C(C)(C)C)nc1 ZINC000342799582 263487720 /nfs/dbraw/zinc/48/77/20/263487720.db2.gz KYZKQOKKFOWUKK-CYBMUJFWSA-N 0 1 298.434 3.582 20 0 CHADMN Oc1cccc(CN2CCC(CC(F)(F)F)CC2)c1 ZINC000342843231 263528593 /nfs/dbraw/zinc/52/85/93/263528593.db2.gz VLVLIWSZPBXPME-UHFFFAOYSA-N 0 1 273.298 3.557 20 0 CHADMN CC(C)OCCCN(C)Cc1cccc(Cl)c1F ZINC000353714534 263794585 /nfs/dbraw/zinc/79/45/85/263794585.db2.gz KPERWWSRHIAPKC-UHFFFAOYSA-N 0 1 273.779 3.726 20 0 CHADMN CS[C@@H]1CC[C@H]1N[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000425337032 264012636 /nfs/dbraw/zinc/01/26/36/264012636.db2.gz MHTAELRYSBCBDM-KBAYOESNSA-N 0 1 298.455 3.963 20 0 CHADMN CS[C@@H]1CC[C@@H]1N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000425360783 264143175 /nfs/dbraw/zinc/14/31/75/264143175.db2.gz SYIRGAUZLSJODQ-OUAUKWLOSA-N 0 1 284.494 3.985 20 0 CHADMN C[C@@](NC[C@H]1CCCCC1(F)F)(C(N)=O)c1ccccc1 ZINC000331340948 264195487 /nfs/dbraw/zinc/19/54/87/264195487.db2.gz SJGWZTSRWGWZBU-HIFRSBDPSA-N 0 1 296.361 3.852 20 0 CHADMN CC(C)COc1ccccc1CN1CC(CC(F)F)C1 ZINC000425366445 264211929 /nfs/dbraw/zinc/21/19/29/264211929.db2.gz PZEBRRWAMZATMY-UHFFFAOYSA-N 0 1 283.362 3.808 20 0 CHADMN Cc1cnc(CN(Cc2ccoc2)C2CCCCC2)cn1 ZINC000353765340 264221668 /nfs/dbraw/zinc/22/16/68/264221668.db2.gz CCXWTHBANGFHPF-UHFFFAOYSA-N 0 1 285.391 3.713 20 0 CHADMN CO[C@H](CN(Cc1ccco1)Cc1cccs1)C1CC1 ZINC000425390301 264222661 /nfs/dbraw/zinc/22/26/61/264222661.db2.gz WGNXEDLGIOCVGE-MRXNPFEDSA-N 0 1 291.416 3.768 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H](C)c1ccsc1 ZINC000188784675 264242145 /nfs/dbraw/zinc/24/21/45/264242145.db2.gz OFQZVZPJLOBNEZ-GHMZBOCLSA-N 0 1 262.378 3.564 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H](C)c1ccc(C)cc1 ZINC000188785958 264242411 /nfs/dbraw/zinc/24/24/11/264242411.db2.gz LAXFJQWLAMCDFA-UONOGXRCSA-N 0 1 270.376 3.810 20 0 CHADMN Cc1cccc([C@H](C)NCc2nc3ccccc3n2C)c1 ZINC000157239668 264257006 /nfs/dbraw/zinc/25/70/06/264257006.db2.gz WAPNXCMOCNOGRV-AWEZNQCLSA-N 0 1 279.387 3.733 20 0 CHADMN C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000475057111 264267806 /nfs/dbraw/zinc/26/78/06/264267806.db2.gz YUKVKEBRYXAFOV-UTJXIGIESA-N 0 1 277.383 3.776 20 0 CHADMN C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000475057110 264268090 /nfs/dbraw/zinc/26/80/90/264268090.db2.gz YUKVKEBRYXAFOV-OSRSDYAFSA-N 0 1 277.383 3.776 20 0 CHADMN CCc1ccccc1CC(=O)Nc1cccc(Cl)c1O ZINC000189034018 264269811 /nfs/dbraw/zinc/26/98/11/264269811.db2.gz KCQDRKQRYKLETK-UHFFFAOYSA-N 0 1 289.762 3.789 20 0 CHADMN Cc1cnc(CCN(C)Cc2ccc(Cl)cc2F)s1 ZINC000189134384 264271324 /nfs/dbraw/zinc/27/13/24/264271324.db2.gz MCZVJNYYAKLTIV-UHFFFAOYSA-N 0 1 298.814 3.919 20 0 CHADMN C[N@@H+](C/C=C\c1ccncc1)Cc1cc(F)cc(F)c1 ZINC000425992170 264280181 /nfs/dbraw/zinc/28/01/81/264280181.db2.gz BEHKLFUNGFEEIJ-IHWYPQMZSA-N 0 1 274.314 3.505 20 0 CHADMN CN(C/C=C\c1ccncc1)Cc1cc(F)cc(F)c1 ZINC000425992170 264280182 /nfs/dbraw/zinc/28/01/82/264280182.db2.gz BEHKLFUNGFEEIJ-IHWYPQMZSA-N 0 1 274.314 3.505 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CCC[C@H](C)CC1 ZINC000189443843 264297720 /nfs/dbraw/zinc/29/77/20/264297720.db2.gz RXSGJYAUNFHJPB-WCQYABFASA-N 0 1 277.412 3.540 20 0 CHADMN C[C@H](N[C@H]1CSc2ccccc21)c1cccnc1 ZINC000129737369 264331500 /nfs/dbraw/zinc/33/15/00/264331500.db2.gz RLHIHOYAVOQIQM-FZMZJTMJSA-N 0 1 256.374 3.579 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)n1 ZINC000162963372 264338163 /nfs/dbraw/zinc/33/81/63/264338163.db2.gz KSGPFAFLKLHYSY-WUHRBBMRSA-N 0 1 297.468 3.798 20 0 CHADMN C[C@H](c1ccc(Cl)cc1Cl)N(C)CC1(CO)CC1 ZINC000190020696 264345507 /nfs/dbraw/zinc/34/55/07/264345507.db2.gz VYQDKLBEBAHWHB-SNVBAGLBSA-N 0 1 288.218 3.759 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC(C)(C(C)C)CC1 ZINC000190328616 264358140 /nfs/dbraw/zinc/35/81/40/264358140.db2.gz QTVBRBGYAUNXEH-UHFFFAOYSA-N 0 1 291.439 3.740 20 0 CHADMN C[C@H](CC(C)(C)C)C(=O)Nc1ccc(F)c(F)c1O ZINC000457303291 264874583 /nfs/dbraw/zinc/87/45/83/264874583.db2.gz XYBWEQIJPLPIGH-MRVPVSSYSA-N 0 1 271.307 3.681 20 0 CHADMN Cc1nnc([C@@H](C)NCC/C=C\c2ccccc2)s1 ZINC000391986927 265037424 /nfs/dbraw/zinc/03/74/24/265037424.db2.gz WKVXLAZWTUXVJS-XTOZHPGHSA-N 0 1 273.405 3.601 20 0 CHADMN Cc1oc(C(C)C)nc1C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000344480667 265060901 /nfs/dbraw/zinc/06/09/01/265060901.db2.gz FRLPUDNEGQRGOE-UHFFFAOYSA-N 0 1 298.346 3.543 20 0 CHADMN C[C@@H](O)C[C@H]1CCCN1Cc1cccc(Cl)c1Cl ZINC000093483245 265182387 /nfs/dbraw/zinc/18/23/87/265182387.db2.gz NKAUFBBXTZTEEL-ZYHUDNBSSA-N 0 1 288.218 3.729 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H](c2ccco2)c2ccccc2)CS1 ZINC000094472016 265242467 /nfs/dbraw/zinc/24/24/67/265242467.db2.gz TVQAHKNQKDEKJF-XPKDYRNWSA-N 0 1 273.401 3.853 20 0 CHADMN CC(C)(C)CC[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000518990857 265283955 /nfs/dbraw/zinc/28/39/55/265283955.db2.gz UVNDSYYQBFYIHJ-UHFFFAOYSA-N 0 1 299.361 3.678 20 0 CHADMN C[C@H]1CCC[C@@H]1Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000519030916 265300084 /nfs/dbraw/zinc/30/00/84/265300084.db2.gz VYJLPPMTFJMXAF-WDEREUQCSA-N 0 1 282.347 3.592 20 0 CHADMN CC[C@@H](OC1CCCC1)c1nc(C2(N)CCCCC2)no1 ZINC000519139720 265329992 /nfs/dbraw/zinc/32/99/92/265329992.db2.gz PFPIQOVOGUINNW-CYBMUJFWSA-N 0 1 293.411 3.598 20 0 CHADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C)c(C(=O)[O-])o1 ZINC000519412618 265421236 /nfs/dbraw/zinc/42/12/36/265421236.db2.gz DHBZHNOEZDGXPU-FZMZJTMJSA-N 0 1 279.380 3.687 20 0 CHADMN C[C@H]1CCC[C@@H](Sc2nc(-c3ccccc3O)n[nH]2)C1 ZINC000519623368 265503743 /nfs/dbraw/zinc/50/37/43/265503743.db2.gz HKVPYDWMHQGVGQ-WDEREUQCSA-N 0 1 289.404 3.848 20 0 CHADMN NC1(c2noc(C3=CCCCCC3)n2)CCCCC1 ZINC000333612511 265952902 /nfs/dbraw/zinc/95/29/02/265952902.db2.gz SFDOKZBOYFYUJJ-UHFFFAOYSA-N 0 1 261.369 3.535 20 0 CHADMN COC(=O)c1cnc([C@H](C)N[C@H](C)CCC(C)(C)C)s1 ZINC000314768514 266014191 /nfs/dbraw/zinc/01/41/91/266014191.db2.gz IBZJUPCWVQIYAK-MNOVXSKESA-N 0 1 298.452 3.795 20 0 CHADMN Cc1ccnc([C@H](C)NCc2cnc3ccccc3c2)c1 ZINC000353504574 266039619 /nfs/dbraw/zinc/03/96/19/266039619.db2.gz RYNJOTLGKWBKIO-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN CC1CCC(CC(=O)Nc2ccccc2-c2nnc[nH]2)CC1 ZINC000356199124 266070651 /nfs/dbraw/zinc/07/06/51/266070651.db2.gz AQPLQZITSNBLTP-UHFFFAOYSA-N 0 1 298.390 3.627 20 0 CHADMN Fc1cc(F)cc(CN2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000356272387 266084661 /nfs/dbraw/zinc/08/46/61/266084661.db2.gz CWEUPVSAZXOBSI-OAHLLOKOSA-N 0 1 263.331 3.729 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1cc(F)cc(F)c1 ZINC000356276296 266086232 /nfs/dbraw/zinc/08/62/32/266086232.db2.gz UXVBYIRLYXISCL-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)o1 ZINC000356292597 266089950 /nfs/dbraw/zinc/08/99/50/266089950.db2.gz WOKFZMYYYMAJGN-ZWUHOBOKSA-N 0 1 286.375 3.587 20 0 CHADMN CC1(C)CN(Cc2cnn(-c3ccc(F)cc3)c2)[C@@H]1C1CC1 ZINC000356300032 266091585 /nfs/dbraw/zinc/09/15/85/266091585.db2.gz RBWZYFUTOCUFBL-QGZVFWFLSA-N 0 1 299.393 3.632 20 0 CHADMN CCc1ccc(CC)c(NC(=O)c2cn[nH]c2C2CC2)c1 ZINC000356325278 266096064 /nfs/dbraw/zinc/09/60/64/266096064.db2.gz BANBNZYRDBFTAT-UHFFFAOYSA-N 0 1 283.375 3.664 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2/C=C\c2ccccc2)on1 ZINC000356350736 266100096 /nfs/dbraw/zinc/10/00/96/266100096.db2.gz FQSMEUZYRHHURP-ZBTGYSDGSA-N 0 1 268.360 3.661 20 0 CHADMN CO[C@]1(C)CCCN(Cc2cscc2C(F)(F)F)C1 ZINC000356381695 266105580 /nfs/dbraw/zinc/10/55/80/266105580.db2.gz APDMEZVHWMCTKO-GFCCVEGCSA-N 0 1 293.354 3.768 20 0 CHADMN CC(C)CC1(C)CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000356433286 266112954 /nfs/dbraw/zinc/11/29/54/266112954.db2.gz QTKDSTHLEQWVRM-UHFFFAOYSA-N 0 1 289.423 3.576 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1ccc(F)cn1 ZINC000356669228 266157209 /nfs/dbraw/zinc/15/72/09/266157209.db2.gz CKNXDMVZIFCJLB-YVEFUNNKSA-N 0 1 270.351 3.867 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccc(COC)cc1 ZINC000356902876 266208506 /nfs/dbraw/zinc/20/85/06/266208506.db2.gz RTUZCEIIZHFCJH-AWEZNQCLSA-N 0 1 284.403 3.641 20 0 CHADMN CC[C@]1(C)C[C@@H]1c1nc(Cc2nc3cccc(C)c3[nH]2)no1 ZINC000356956283 266218081 /nfs/dbraw/zinc/21/80/81/266218081.db2.gz YYTVRVBNRFTEPA-PIGZYNQJSA-N 0 1 296.374 3.749 20 0 CHADMN CSc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)o1 ZINC000356983141 266224879 /nfs/dbraw/zinc/22/48/79/266224879.db2.gz NDOPOYPTCOZMND-UHFFFAOYSA-N 0 1 298.327 3.595 20 0 CHADMN COc1ccccc1[C@@H]1CCN([C@@H](C)c2ncc(C)o2)C1 ZINC000357009412 266231756 /nfs/dbraw/zinc/23/17/56/266231756.db2.gz VRPUDEJINVULST-UONOGXRCSA-N 0 1 286.375 3.542 20 0 CHADMN Clc1ccc(CN2CCC(Cc3cccnc3)CC2)o1 ZINC000357212624 266266225 /nfs/dbraw/zinc/26/62/25/266266225.db2.gz JXXKNHCHJXXUEP-UHFFFAOYSA-N 0 1 290.794 3.783 20 0 CHADMN CCCN(Cc1ncc(C)s1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000357309235 266273832 /nfs/dbraw/zinc/27/38/32/266273832.db2.gz QAAUHMBCLSWPIK-UONOGXRCSA-N 0 1 296.480 3.867 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2ncc(C)s2)C1 ZINC000357306755 266273972 /nfs/dbraw/zinc/27/39/72/266273972.db2.gz PKFASVFOSUZTQO-CQSZACIVSA-N 0 1 252.427 3.854 20 0 CHADMN Cc1cnc(C[N@H+]2CCC[C@H]2Cc2ccccc2C)s1 ZINC000357322097 266274635 /nfs/dbraw/zinc/27/46/35/266274635.db2.gz RQGXHVMDMNPQMV-INIZCTEOSA-N 0 1 286.444 3.967 20 0 CHADMN CCCCc1nc(CN2CCCC[C@@H]2[C@H](O)CC)cs1 ZINC000114458953 266286363 /nfs/dbraw/zinc/28/63/63/266286363.db2.gz OYZOPEQVALNHML-HUUCEWRRSA-N 0 1 296.480 3.611 20 0 CHADMN CSc1cc(CNCc2ccc(F)c(C)c2)ccn1 ZINC000357376565 266286698 /nfs/dbraw/zinc/28/66/98/266286698.db2.gz VOKZSLMLVQODGK-UHFFFAOYSA-N 0 1 276.380 3.541 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCCN(Cc1cccnc1)C1CC1 ZINC000357394523 266289948 /nfs/dbraw/zinc/28/99/48/266289948.db2.gz WHTQQNXULDREMU-QAPCUYQASA-N 0 1 288.435 3.641 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000357552355 266321163 /nfs/dbraw/zinc/32/11/63/266321163.db2.gz MIAWWOCIKDWNEK-BFHYXJOUSA-N 0 1 295.427 3.566 20 0 CHADMN CCCCN(CC(=O)Nc1c(C)cccc1C)C1CC1 ZINC000357551464 266321745 /nfs/dbraw/zinc/32/17/45/266321745.db2.gz IZXMUORVGZSUSF-UHFFFAOYSA-N 0 1 274.408 3.506 20 0 CHADMN C[C@H]1CCCC[C@@H]1OCCN(Cc1ccccn1)C1CC1 ZINC000357617198 266337204 /nfs/dbraw/zinc/33/72/04/266337204.db2.gz LIOSPAPEHPPEMW-YJBOKZPZSA-N 0 1 288.435 3.641 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000357776556 266359753 /nfs/dbraw/zinc/35/97/53/266359753.db2.gz DKLXREFEVIEJAS-IPELMVKDSA-N 0 1 296.414 3.961 20 0 CHADMN COc1cc2c(cc1F)nccc2NCCC(F)(F)F ZINC000359541147 266599294 /nfs/dbraw/zinc/59/92/94/266599294.db2.gz JFUMFQCZLXLLDM-UHFFFAOYSA-N 0 1 288.244 3.747 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)c1 ZINC000360224764 266695449 /nfs/dbraw/zinc/69/54/49/266695449.db2.gz GLUHOMCKCQHOJK-GJZGRUSLSA-N 0 1 297.402 3.522 20 0 CHADMN CC(C)CC1(C(=O)Nc2ccc3nc[nH]c3c2)CCC1 ZINC000362506337 266996645 /nfs/dbraw/zinc/99/66/45/266996645.db2.gz MDUCRVYNHOUAJA-UHFFFAOYSA-N 0 1 271.364 3.718 20 0 CHADMN Fc1ccc2c(c1)nccc2NCc1cn2ccsc2n1 ZINC000362556399 267007043 /nfs/dbraw/zinc/00/70/43/267007043.db2.gz UCOHKKIMLHLHPW-UHFFFAOYSA-N 0 1 298.346 3.695 20 0 CHADMN Cc1cccc(-c2noc(CN3[C@H](C)CC[C@H]3C)n2)c1F ZINC000362638320 267028150 /nfs/dbraw/zinc/02/81/50/267028150.db2.gz SENJIPHYXIJXMQ-VXGBXAGGSA-N 0 1 289.354 3.557 20 0 CHADMN Cc1cccc(-c2noc(CN3[C@H](C)CC[C@@H]3C)n2)c1F ZINC000362638318 267028558 /nfs/dbraw/zinc/02/85/58/267028558.db2.gz SENJIPHYXIJXMQ-TXEJJXNPSA-N 0 1 289.354 3.557 20 0 CHADMN Cc1[nH]ncc1CNc1ccc(Oc2ccccc2F)nc1 ZINC000362647230 267029457 /nfs/dbraw/zinc/02/94/57/267029457.db2.gz ALTINKHADSHNHK-UHFFFAOYSA-N 0 1 298.321 3.657 20 0 CHADMN CC[C@H](C)N(Cc1ccccc1)Cc1cccnc1OC ZINC000362921710 267060928 /nfs/dbraw/zinc/06/09/28/267060928.db2.gz IHDZKMOIAGGAAH-HNNXBMFYSA-N 0 1 284.403 3.891 20 0 CHADMN C[C@@H](NCc1cncc(F)c1)c1ccc(C2CC2)cc1 ZINC000418115080 267084120 /nfs/dbraw/zinc/08/41/20/267084120.db2.gz NQNVTVYRJVZRRS-GFCCVEGCSA-N 0 1 270.351 3.949 20 0 CHADMN CC(C)n1ncc2c1[C@@H](N[C@@H](C)c1cccnc1)CCC2 ZINC000368133878 267147938 /nfs/dbraw/zinc/14/79/38/267147938.db2.gz HVQCKSGUKSRART-BBRMVZONSA-N 0 1 284.407 3.587 20 0 CHADMN COc1cccc2c1OCC[C@@H]2N[C@@H]1CCCc2occc21 ZINC000368446106 267173048 /nfs/dbraw/zinc/17/30/48/267173048.db2.gz UKVWATKKFWAREX-CABCVRRESA-N 0 1 299.370 3.779 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H]1c2ccc(F)cc2O[C@H]1C ZINC000368584664 267188714 /nfs/dbraw/zinc/18/87/14/267188714.db2.gz NOIPHYHPZSYTMV-NVGCLXPQSA-N 0 1 286.350 3.702 20 0 CHADMN Clc1ccccc1CN1CCC[C@@H](c2ccncn2)C1 ZINC000368756656 267201563 /nfs/dbraw/zinc/20/15/63/267201563.db2.gz SUZIHUAYRQVQMD-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1nnc(CN2CCCCC[C@@H]2c2cccc(C)c2)o1 ZINC000117897907 267225185 /nfs/dbraw/zinc/22/51/85/267225185.db2.gz AEHLIIKYWJQWRZ-MRXNPFEDSA-N 0 1 285.391 3.804 20 0 CHADMN CN(Cc1nccn1C(F)F)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000418118089 267258616 /nfs/dbraw/zinc/25/86/16/267258616.db2.gz SINUPCYCQQTSTC-RYUDHWBXSA-N 0 1 285.382 3.925 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCCNC(C)(C)c1nccs1 ZINC000118848499 267274371 /nfs/dbraw/zinc/27/43/71/267274371.db2.gz YWEYLZOCERJWOL-CHWSQXEVSA-N 0 1 282.453 3.563 20 0 CHADMN CC1(C)CCCN(Cc2nc3ccc(F)cc3o2)C1 ZINC000119150912 267304281 /nfs/dbraw/zinc/30/42/81/267304281.db2.gz KENFPVVJSYQNJM-UHFFFAOYSA-N 0 1 262.328 3.589 20 0 CHADMN CCn1nccc1CN1CCC[C@@H]1c1ccc(C)s1 ZINC000119256509 267313164 /nfs/dbraw/zinc/31/31/64/267313164.db2.gz LSOOUTZHFURINW-CQSZACIVSA-N 0 1 275.421 3.610 20 0 CHADMN CC(C)c1nc(CN2C[C@H](C)[C@H](C)[C@@H]2C)cs1 ZINC000418134015 267359598 /nfs/dbraw/zinc/35/95/98/267359598.db2.gz OKPMLLXWZHPZSQ-SRVKXCTJSA-N 0 1 252.427 3.743 20 0 CHADMN COCCCCN(C)Cc1csc(-c2ccsc2)n1 ZINC000418138870 267361215 /nfs/dbraw/zinc/36/12/15/267361215.db2.gz UAZIZMCFIXAIMX-UHFFFAOYSA-N 0 1 296.461 3.730 20 0 CHADMN CCCC[C@H](COC)NCc1ncoc1-c1ccccc1 ZINC000371290695 267383812 /nfs/dbraw/zinc/38/38/12/267383812.db2.gz VSWOFEZOWAPZQR-OAHLLOKOSA-N 0 1 288.391 3.636 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2cccc3[nH]ccc32)no1 ZINC000371395393 267399250 /nfs/dbraw/zinc/39/92/50/267399250.db2.gz GLIRAEXWTAZVOA-KRWDZBQOSA-N 0 1 281.359 3.801 20 0 CHADMN CC(C)c1nc([C@H](C)NCC2(O)CCCCC2)cs1 ZINC000121237403 267586792 /nfs/dbraw/zinc/58/67/92/267586792.db2.gz LCZKBMJBKQYNOB-LBPRGKRZSA-N 0 1 282.453 3.612 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1[C@@H](C)CC[C@@H]1C ZINC000123082776 267985665 /nfs/dbraw/zinc/98/56/65/267985665.db2.gz NRLOMNBCIWRAHN-RYUDHWBXSA-N 0 1 275.371 3.568 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1csc(C(C)(C)C)n1 ZINC000123224186 268017425 /nfs/dbraw/zinc/01/74/25/268017425.db2.gz CNDASXCRFYSCBY-GHMZBOCLSA-N 0 1 252.427 3.813 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1ncc(-c2cccs2)o1 ZINC000123293444 268021108 /nfs/dbraw/zinc/02/11/08/268021108.db2.gz CKFAPLQSLOSEQK-PHIMTYICSA-N 0 1 262.378 3.776 20 0 CHADMN CC(C)n1nccc1CN1CCC[C@H](Oc2ccccc2)C1 ZINC000377032549 268042292 /nfs/dbraw/zinc/04/22/92/268042292.db2.gz UUDHDOPDDWALCV-SFHVURJKSA-N 0 1 299.418 3.507 20 0 CHADMN C[C@@H]1CCCN(Cc2cnc3ccc(Cl)cn23)CC1 ZINC000352797167 533694701 /nfs/dbraw/zinc/69/47/01/533694701.db2.gz IADMGWSCJIDGSF-GFCCVEGCSA-N 0 1 277.799 3.610 20 0 CHADMN C[C@@H](N[C@@H]1CCc2c1cccc2F)c1cn2ccccc2n1 ZINC000570862685 327628414 /nfs/dbraw/zinc/62/84/14/327628414.db2.gz JERIERAJKMEADW-MLGOLLRUSA-N 0 1 295.361 3.812 20 0 CHADMN C[C@@H](NCc1ccc(Cl)c(Cl)c1)c1cn[nH]c1 ZINC000229882990 327673048 /nfs/dbraw/zinc/67/30/48/327673048.db2.gz CSUXAFUKAAFQIR-MRVPVSSYSA-N 0 1 270.163 3.567 20 0 CHADMN F[C@@H]1CCC[C@@H]1NCc1ccccc1OC1CCCC1 ZINC000580222467 327738852 /nfs/dbraw/zinc/73/88/52/327738852.db2.gz QOGBMXYCEMXHKW-CVEARBPZSA-N 0 1 277.383 3.988 20 0 CHADMN FC(F)[C@H]1C[C@@H]1NCc1cc(Cl)ccc1Cl ZINC000378683729 327751510 /nfs/dbraw/zinc/75/15/10/327751510.db2.gz ZNWCVBONZALBFP-WPRPVWTQSA-N 0 1 266.118 3.737 20 0 CHADMN Cc1noc(C[C@H](N[C@@H](C)c2ccoc2)c2ccccc2)n1 ZINC000580273270 327755302 /nfs/dbraw/zinc/75/53/02/327755302.db2.gz YWKJQNALPWZFNM-LRDDRELGSA-N 0 1 297.358 3.606 20 0 CHADMN Cc1nn(C)cc1[C@H]1CCCN1c1ccnc2ccccc21 ZINC000363922496 327834398 /nfs/dbraw/zinc/83/43/98/327834398.db2.gz QJQPPPUNZCGZGA-QGZVFWFLSA-N 0 1 292.386 3.618 20 0 CHADMN CCC(CC)(CN[C@H](C)c1c(F)cccc1F)C(=O)OC ZINC000582093658 327841255 /nfs/dbraw/zinc/84/12/55/327841255.db2.gz ZBKYHCQAHRLXOR-LLVKDONJSA-N 0 1 299.361 3.595 20 0 CHADMN c1ccc(-c2cnc(CNC3CCCCC3)nc2)cc1 ZINC000185872252 327849068 /nfs/dbraw/zinc/84/90/68/327849068.db2.gz SQHAEMWECGXLDN-UHFFFAOYSA-N 0 1 267.376 3.566 20 0 CHADMN COc1cccc(F)c1[C@H](C)NCCSC(C)C ZINC000310983145 327871305 /nfs/dbraw/zinc/87/13/05/327871305.db2.gz YHECMZOBDFASPF-NSHDSACASA-N 0 1 271.401 3.627 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(C(C)(C)O)cc2)o1 ZINC000186610430 327917350 /nfs/dbraw/zinc/91/73/50/327917350.db2.gz ONZJCESRELEUSE-CYBMUJFWSA-N 0 1 273.376 3.666 20 0 CHADMN COc1cccc([C@@H](C)N(C)Cc2cccc(C)n2)c1 ZINC000347383416 533702174 /nfs/dbraw/zinc/70/21/74/533702174.db2.gz KZUZCNUGJXNGKM-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000563277925 328006560 /nfs/dbraw/zinc/00/65/60/328006560.db2.gz PXIWOYNIUJTBGM-FUHWJXTLSA-N 0 1 289.419 3.684 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)oc1C(=O)[O-] ZINC000563276963 328006903 /nfs/dbraw/zinc/00/69/03/328006903.db2.gz AALLKBZMBGQKFY-MRXNPFEDSA-N 0 1 299.370 3.932 20 0 CHADMN CC1(C)[C@H](c2ccccc2)CC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000563284533 328008697 /nfs/dbraw/zinc/00/86/97/328008697.db2.gz XNHHSZXRDLXXEF-HNNXBMFYSA-N 0 1 299.370 3.746 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)C1CCCC1 ZINC000563279116 328007015 /nfs/dbraw/zinc/00/70/15/328007015.db2.gz OULLBXYKIRIFON-UHFFFAOYSA-N 0 1 281.783 3.803 20 0 CHADMN CCC[C@@]1(C)CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000563280094 328007242 /nfs/dbraw/zinc/00/72/42/328007242.db2.gz KDZSCWINZYZXPF-WBVHZDCISA-N 0 1 275.392 3.715 20 0 CHADMN CCSCC[C@@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])oc1CC ZINC000563282479 328007714 /nfs/dbraw/zinc/00/77/14/328007714.db2.gz HHVNCZVPKNDDPM-LLVKDONJSA-N 0 1 299.436 3.504 20 0 CHADMN CC[C@@H](C)Cc1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000563304523 328011295 /nfs/dbraw/zinc/01/12/95/328011295.db2.gz NFRVLNUMXAAUCQ-LLVKDONJSA-N 0 1 291.370 3.526 20 0 CHADMN COc1ccc(C)cc1CN(C)CCOCc1ccccc1 ZINC000531547857 328014699 /nfs/dbraw/zinc/01/46/99/328014699.db2.gz AOXNUSHZOQNWIC-UHFFFAOYSA-N 0 1 299.414 3.652 20 0 CHADMN CC[C@@H](CC(=O)Nc1ccc2nc(C)[nH]c2c1)C(C)C ZINC000531687070 328022112 /nfs/dbraw/zinc/02/21/12/328022112.db2.gz YTJTUBUFAABZNH-LBPRGKRZSA-N 0 1 273.380 3.882 20 0 CHADMN CCn1nc(C)c(CN[C@H](C)c2cc(F)cc(F)c2)c1C ZINC000531709656 328027340 /nfs/dbraw/zinc/02/73/40/328027340.db2.gz MNPHUTAETHKATM-SNVBAGLBSA-N 0 1 293.361 3.649 20 0 CHADMN Cc1ccccc1[C@@H](CO)N[C@H](C)c1ccc(F)c(F)c1 ZINC000531738599 328029223 /nfs/dbraw/zinc/02/92/23/328029223.db2.gz FYFAXSKNSZKRAM-SJKOYZFVSA-N 0 1 291.341 3.657 20 0 CHADMN COc1ccc(CN2CCC(OC(C)C)CC2)c(Cl)c1 ZINC000534343261 328047116 /nfs/dbraw/zinc/04/71/16/328047116.db2.gz JYWQIEWCWTVROJ-UHFFFAOYSA-N 0 1 297.826 3.738 20 0 CHADMN C[C@H](O)CN(Cc1ccc(Cl)s1)Cc1ccccc1 ZINC000534345707 328047430 /nfs/dbraw/zinc/04/74/30/328047430.db2.gz RJJTYVWVTOHJPL-LBPRGKRZSA-N 0 1 295.835 3.785 20 0 CHADMN CN(Cc1cscn1)C[C@H]1CCCC(C)(C)C1 ZINC000534349599 328047776 /nfs/dbraw/zinc/04/77/76/328047776.db2.gz AHTYGFAEXMFGOC-LBPRGKRZSA-N 0 1 252.427 3.791 20 0 CHADMN Cc1nnc([C@H](C)N(C)CC23CC4CC(CC(C4)C2)C3)o1 ZINC000048275718 328049937 /nfs/dbraw/zinc/04/99/37/328049937.db2.gz PCROHYCYWQIUIK-AOYIQCRGSA-N 0 1 289.423 3.587 20 0 CHADMN CCCCS[C@H](C)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000563331757 328055619 /nfs/dbraw/zinc/05/56/19/328055619.db2.gz LKIAJMPTXWRVQC-LLVKDONJSA-N 0 1 291.420 3.732 20 0 CHADMN Cc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000563402205 328062736 /nfs/dbraw/zinc/06/27/36/328062736.db2.gz HPXPXRSEIKXWAN-GOSISDBHSA-N 0 1 295.382 3.683 20 0 CHADMN CCc1ccccc1Cn1c(C)nc2c1CCCC2 ZINC000563441278 328066562 /nfs/dbraw/zinc/06/65/62/328066562.db2.gz ZNWUDJYUBCMRBB-UHFFFAOYSA-N 0 1 254.377 3.681 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](CCC1C[C@H](C)C[C@@H](C)C1)C1CCC1 ZINC000563455226 328067651 /nfs/dbraw/zinc/06/76/51/328067651.db2.gz KWZNLTJKSRVMEC-MGPQQGTHSA-N 0 1 281.440 3.776 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1CC1CCCCCC1 ZINC000563456976 328067854 /nfs/dbraw/zinc/06/78/54/328067854.db2.gz XXSWCEFDSZQWDV-IPYPFGDCSA-N 0 1 267.413 3.530 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)CCOC[C@@H]1CCCO1 ZINC000152174259 328077012 /nfs/dbraw/zinc/07/70/12/328077012.db2.gz JIYJESLLGANYMZ-KGLIPLIRSA-N 0 1 297.826 3.528 20 0 CHADMN CC(C)CC[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000571172183 328090504 /nfs/dbraw/zinc/09/05/04/328090504.db2.gz PQZCXWZXWUYNEX-HNNXBMFYSA-N 0 1 293.382 3.925 20 0 CHADMN C[C@H]1CC(C)(C)CN1Cc1ccn(C2CCCC2)n1 ZINC000412033809 328102332 /nfs/dbraw/zinc/10/23/32/328102332.db2.gz DPUCNFGHMPAVOE-ZDUSSCGKSA-N 0 1 261.413 3.619 20 0 CHADMN Cc1ncsc1CN(C)C/C=C\c1ccc(F)c(F)c1 ZINC000571329060 328107656 /nfs/dbraw/zinc/10/76/56/328107656.db2.gz YLUNVAAJGBVABZ-ARJAWSKDSA-N 0 1 294.370 3.875 20 0 CHADMN CC(C)c1cnc(NC(=O)c2cc(Cl)ccc2O)s1 ZINC000303943894 332961482 /nfs/dbraw/zinc/96/14/82/332961482.db2.gz GGVJRZHRVAPFAX-UHFFFAOYSA-N 0 1 296.779 3.878 20 0 CHADMN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)[O-])s2)C1 ZINC000571410491 328120255 /nfs/dbraw/zinc/12/02/55/328120255.db2.gz SSEBRSYVIHQFJI-QWRGUYRKSA-N 0 1 299.461 3.552 20 0 CHADMN CC[C@]1(C)CC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000571452931 328122790 /nfs/dbraw/zinc/12/27/90/328122790.db2.gz LDZCGRGKHVOWJC-OAHLLOKOSA-N 0 1 281.783 3.660 20 0 CHADMN Cc1ncncc1[C@H](C)NCc1ccc(C(C)(F)F)cc1 ZINC000571462431 328123340 /nfs/dbraw/zinc/12/33/40/328123340.db2.gz SOXHMUYNROOBLQ-NSHDSACASA-N 0 1 291.345 3.748 20 0 CHADMN Cc1ccc(NC(=O)c2cn[nH]c2C(C)(C)C)cc1C ZINC000571532666 328132453 /nfs/dbraw/zinc/13/24/53/328132453.db2.gz AJTOCLZZFROWNZ-UHFFFAOYSA-N 0 1 271.364 3.576 20 0 CHADMN C[C@@H]1C[C@@H](CNc2ccnc3cc(F)ccc32)[C@@H](C)O1 ZINC000413529954 328148617 /nfs/dbraw/zinc/14/86/17/328148617.db2.gz JFZNRSRCGVWEIA-UTUOFQBUSA-N 0 1 274.339 3.599 20 0 CHADMN CCCC(CCC)NCc1nccc(C(F)(F)F)n1 ZINC000414254513 328153675 /nfs/dbraw/zinc/15/36/75/328153675.db2.gz MJGJMTWKAVGEQT-UHFFFAOYSA-N 0 1 275.318 3.554 20 0 CHADMN CCc1ncc(CNCc2oc3ccc(F)cc3c2C)cn1 ZINC000414305790 328154079 /nfs/dbraw/zinc/15/40/79/328154079.db2.gz NRZHUUADTDIMGU-UHFFFAOYSA-N 0 1 299.349 3.523 20 0 CHADMN CCn1ccnc1NCc1cccc(OCC(C)C)c1 ZINC000414305779 328154189 /nfs/dbraw/zinc/15/41/89/328154189.db2.gz SDIRYWFMEBPRJT-UHFFFAOYSA-N 0 1 273.380 3.550 20 0 CHADMN Cc1ccc(CN(Cc2ccc(C)c(C)c2)C2CC2)nn1 ZINC000414395316 328162711 /nfs/dbraw/zinc/16/27/11/328162711.db2.gz KDOYPOLPNAGMAJ-UHFFFAOYSA-N 0 1 281.403 3.566 20 0 CHADMN Cc1ccc(CNC2(c3ccccc3)CCCCC2)nn1 ZINC000414395340 328162909 /nfs/dbraw/zinc/16/29/09/328162909.db2.gz QLOBUHUZCYXSCE-UHFFFAOYSA-N 0 1 281.403 3.734 20 0 CHADMN COc1cccc([C@H](C)N[C@@H](C)c2cnn(C(C)C)c2)c1 ZINC000267186665 328174645 /nfs/dbraw/zinc/17/46/45/328174645.db2.gz CPYMSSAPOODGMM-KBPBESRZSA-N 0 1 287.407 3.884 20 0 CHADMN COc1cc(C)ccc1CNCc1cnccc1C(C)(C)C ZINC000414494300 328188393 /nfs/dbraw/zinc/18/83/93/328188393.db2.gz DSFHLSLTEFDPAL-UHFFFAOYSA-N 0 1 298.430 3.986 20 0 CHADMN C[C@H](N[C@@H]1CS[C@H](C(C)(C)C)C1)c1nccs1 ZINC000414497881 328189236 /nfs/dbraw/zinc/18/92/36/328189236.db2.gz VAZPAXFAEKFFHB-DCAQKATOSA-N 0 1 270.467 3.714 20 0 CHADMN C[C@H]1C[C@@H](NCc2csc(-c3cccs3)n2)CS1 ZINC000414499529 328189778 /nfs/dbraw/zinc/18/97/78/328189778.db2.gz KHEGLFZCBCCSGB-VHSXEESVSA-N 0 1 296.486 3.855 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])oc1CC ZINC000571648815 328194866 /nfs/dbraw/zinc/19/48/66/328194866.db2.gz ISRDVGFBAHZAHL-TZMCWYRMSA-N 0 1 293.407 3.941 20 0 CHADMN C[C@@H](OCCCN[C@@H](C)c1cscn1)c1ccccc1 ZINC000271136672 328194946 /nfs/dbraw/zinc/19/49/46/328194946.db2.gz NGSAAOJKHFAPQW-UONOGXRCSA-N 0 1 290.432 3.962 20 0 CHADMN NC1(c2noc([C@@H](F)CC3CCCCC3)n2)CCCC1 ZINC000414620569 328204381 /nfs/dbraw/zinc/20/43/81/328204381.db2.gz QBYOXPCQNNTHEY-LBPRGKRZSA-N 0 1 281.375 3.779 20 0 CHADMN COC[C@@H](NC1CC(c2cccc(F)c2)C1)c1ccco1 ZINC000272946947 328201881 /nfs/dbraw/zinc/20/18/81/328201881.db2.gz NDRXLASXWHRUFS-AVVWSFFYSA-N 0 1 289.350 3.642 20 0 CHADMN C[C@@H](CCc1nc(C2(N)CCCC2)no1)c1ccccc1 ZINC000414615291 328201984 /nfs/dbraw/zinc/20/19/84/328201984.db2.gz IILMMDMCRVGKKE-ZDUSSCGKSA-N 0 1 285.391 3.534 20 0 CHADMN Cc1cc(-c2nc(C3(N)CCCC3)no2)c(C)cc1Cl ZINC000414615352 328202138 /nfs/dbraw/zinc/20/21/38/328202138.db2.gz IKDWHLXBJMSVMQ-UHFFFAOYSA-N 0 1 291.782 3.735 20 0 CHADMN CCSc1cccc(-c2nc([C@@H](N)CC(C)C)no2)c1 ZINC000414620565 328204291 /nfs/dbraw/zinc/20/42/91/328204291.db2.gz QBWCWAYOYDFWOJ-ZDUSSCGKSA-N 0 1 291.420 3.895 20 0 CHADMN Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000414643860 328207049 /nfs/dbraw/zinc/20/70/49/328207049.db2.gz YNUTURUTFFKDSM-OAHLLOKOSA-N 0 1 297.398 3.756 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H]2C[C@@]2(C)c2ccccc2)n1 ZINC000414621251 328204674 /nfs/dbraw/zinc/20/46/74/328204674.db2.gz LRVCPETYPWWTRO-VBQJREDUSA-N 0 1 285.391 3.561 20 0 CHADMN CCC(C)(C)[C@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000414639671 328206295 /nfs/dbraw/zinc/20/62/95/328206295.db2.gz QEUPXAVIMCEUSB-OAHLLOKOSA-N 0 1 275.392 3.785 20 0 CHADMN CC[C@]1(C)CCCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000284034859 328245481 /nfs/dbraw/zinc/24/54/81/328245481.db2.gz PKMSMWFJRFSQJP-QGZVFWFLSA-N 0 1 285.391 3.524 20 0 CHADMN Cc1cn[nH]c1CNc1cccc(Cl)c1OC(C)C ZINC000289560674 328255292 /nfs/dbraw/zinc/25/52/92/328255292.db2.gz QZOCMZMMUIZQRQ-UHFFFAOYSA-N 0 1 279.771 3.771 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(F)c(F)c2)cc1O ZINC000290011434 328257540 /nfs/dbraw/zinc/25/75/40/328257540.db2.gz ZOBQGPWESXZGGM-SNVBAGLBSA-N 0 1 293.313 3.530 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H](C)O1 ZINC000183944294 329255102 /nfs/dbraw/zinc/25/51/02/329255102.db2.gz UDBHYSQZDRDGTC-SMDDNHRTSA-N 0 1 269.335 3.624 20 0 CHADMN CC[C@H](N[C@@H](C)c1n[nH]c(C)n1)c1cccc(Cl)c1 ZINC000392333090 329270651 /nfs/dbraw/zinc/27/06/51/329270651.db2.gz DMHAHOSCOBPWHJ-ZANVPECISA-N 0 1 278.787 3.568 20 0 CHADMN Cc1cc2cc(CN[C@@H](C)c3ccncc3F)ccc2[nH]1 ZINC000340391585 328269238 /nfs/dbraw/zinc/26/92/38/328269238.db2.gz GVAPLFIZXZQWMZ-LBPRGKRZSA-N 0 1 283.350 3.861 20 0 CHADMN C[C@H](Nc1cc2c(cn1)CCCC2)c1ccncc1F ZINC000340390519 328269347 /nfs/dbraw/zinc/26/93/47/328269347.db2.gz PROCDGVXGHPXIQ-NSHDSACASA-N 0 1 271.339 3.668 20 0 CHADMN Cc1cnc([C@@H](C)C[NH2+]Cc2cccc([O-])c2Cl)s1 ZINC000293415567 328275939 /nfs/dbraw/zinc/27/59/39/328275939.db2.gz ZKDZOOPUEGPLCL-VIFPVBQESA-N 0 1 296.823 3.704 20 0 CHADMN Cc1cnccc1CN(Cc1cccs1)C1CC1 ZINC000294611857 328282046 /nfs/dbraw/zinc/28/20/46/328282046.db2.gz WJTGQDFZMRNOQD-UHFFFAOYSA-N 0 1 258.390 3.616 20 0 CHADMN C[C@@H]1CO[C@@H](C)CN1CCCSc1ccccc1Cl ZINC000110911828 328321603 /nfs/dbraw/zinc/32/16/03/328321603.db2.gz KBWODPPPIMBBET-OLZOCXBDSA-N 0 1 299.867 3.931 20 0 CHADMN C[C@@H]1CN(CCCSc2ccccc2Cl)[C@H](C)CO1 ZINC000110911825 328321692 /nfs/dbraw/zinc/32/16/92/328321692.db2.gz KBWODPPPIMBBET-CHWSQXEVSA-N 0 1 299.867 3.931 20 0 CHADMN CCc1ccc2nc(-c3cccc(COC)c3)[nH]c2c1 ZINC000534630939 328331481 /nfs/dbraw/zinc/33/14/81/328331481.db2.gz VLBFQLQLCVMFRE-UHFFFAOYSA-N 0 1 266.344 3.939 20 0 CHADMN CC[C@@H](C)CN(C)CC(=O)Nc1ccccc1C(C)C ZINC000111254906 328340633 /nfs/dbraw/zinc/34/06/33/328340633.db2.gz MQPZMDRLOOILCA-CQSZACIVSA-N 0 1 276.424 3.726 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000534690807 328356269 /nfs/dbraw/zinc/35/62/69/328356269.db2.gz KKECSHHJWJKTMZ-TZMCWYRMSA-N 0 1 289.423 3.718 20 0 CHADMN C[C@@H]1CC[C@@H](CC(=O)Nc2cccc(Cl)c2O)C1 ZINC000534701840 328357280 /nfs/dbraw/zinc/35/72/80/328357280.db2.gz ZBKVXPNOBZWPCJ-NXEZZACHSA-N 0 1 267.756 3.810 20 0 CHADMN C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)c1cccc(CO)c1 ZINC000534798251 328362132 /nfs/dbraw/zinc/36/21/32/328362132.db2.gz IOOUCPUPBSKLPX-IGCXYCKISA-N 0 1 285.387 3.746 20 0 CHADMN Oc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1Cl ZINC000111687825 328374452 /nfs/dbraw/zinc/37/44/52/328374452.db2.gz LXCSJECTXAZLQB-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN Cc1ccc(CNCc2ccc(OC(F)(F)F)cc2)o1 ZINC000049956874 328379747 /nfs/dbraw/zinc/37/97/47/328379747.db2.gz NCXUEOXSULXYMJ-UHFFFAOYSA-N 0 1 285.265 3.776 20 0 CHADMN CC(C)N(CCO)Cc1sc2ccccc2c1Cl ZINC000050103743 328381840 /nfs/dbraw/zinc/38/18/40/328381840.db2.gz YSRPYYVPJMPPEA-UHFFFAOYSA-N 0 1 283.824 3.757 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cscn2)[C@@H]2CCCC[C@H]12 ZINC000535073511 328384444 /nfs/dbraw/zinc/38/44/44/328384444.db2.gz JMRSWVYVFSQQCS-MRVWCRGKSA-N 0 1 250.411 3.544 20 0 CHADMN Cc1cccc(N(C)C(=O)c2ccc(O)c(Cl)c2)c1 ZINC000049990911 328384985 /nfs/dbraw/zinc/38/49/85/328384985.db2.gz FPIZCRSZEUSCGO-UHFFFAOYSA-N 0 1 275.735 3.631 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1ncc(CC)o1 ZINC000532013610 328391841 /nfs/dbraw/zinc/39/18/41/328391841.db2.gz RDCQSVUMGOIFAF-ZDUSSCGKSA-N 0 1 250.386 3.782 20 0 CHADMN CO[C@@H](C)CN(Cc1nc(C(C)(C)C)cs1)C(C)C ZINC000532037218 328398406 /nfs/dbraw/zinc/39/84/06/328398406.db2.gz XHHMOUXIIWHXJR-LBPRGKRZSA-N 0 1 284.469 3.686 20 0 CHADMN [O-]c1cccc(C[NH2+]C2CCC(F)(F)CC2)c1Cl ZINC000334470244 328428202 /nfs/dbraw/zinc/42/82/02/328428202.db2.gz FLMQZRYLHMYJIY-UHFFFAOYSA-N 0 1 275.726 3.713 20 0 CHADMN COc1ccc([C@@H](C)NCc2scnc2C)cc1Cl ZINC000112543892 328440872 /nfs/dbraw/zinc/44/08/72/328440872.db2.gz ACZHDWXUBMOOBB-SECBINFHSA-N 0 1 296.823 3.964 20 0 CHADMN COC(=O)c1cccc(CNCc2cc3ccccc3o2)c1 ZINC000563842572 328524042 /nfs/dbraw/zinc/52/40/42/328524042.db2.gz OZBSOTBMJVBKBG-UHFFFAOYSA-N 0 1 295.338 3.509 20 0 CHADMN Cc1cc(CN(C)Cc2ccco2)c2ccccc2n1 ZINC000172070878 335093445 /nfs/dbraw/zinc/09/34/45/335093445.db2.gz VPONOIDDIYSXFV-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN C[C@H](NCc1cc(Cl)sc1Cl)[C@@H]1CCCO1 ZINC000336782336 328536781 /nfs/dbraw/zinc/53/67/81/328536781.db2.gz XIIOXFYXSRYTCE-CBAPKCEASA-N 0 1 280.220 3.712 20 0 CHADMN CS[C@H](C)CN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343848600 328554492 /nfs/dbraw/zinc/55/44/92/328554492.db2.gz FKIMOOIOEXIBHS-RNFRBKRXSA-N 0 1 284.372 3.564 20 0 CHADMN Cc1ccccc1[C@H](CC(C)C)NCc1ccn(C)n1 ZINC000344426031 328557761 /nfs/dbraw/zinc/55/77/61/328557761.db2.gz IMMVPYRCOLGSOD-KRWDZBQOSA-N 0 1 271.408 3.606 20 0 CHADMN Cc1cccn2c(CN[C@H]3CSc4ccccc43)cnc12 ZINC000344433095 328558107 /nfs/dbraw/zinc/55/81/07/328558107.db2.gz HIWNQVUTLKKPKH-HNNXBMFYSA-N 0 1 295.411 3.579 20 0 CHADMN C/C(Cl)=C/CN1CCC(OC2CCCC2)CC1 ZINC000528363846 328558941 /nfs/dbraw/zinc/55/89/41/328558941.db2.gz HCPHXVGPGXRVEN-SDQBBNPISA-N 0 1 257.805 3.553 20 0 CHADMN CC(C)OC[C@@H](C)N[C@@H](c1ccccc1)c1cccnc1 ZINC000367067838 328586817 /nfs/dbraw/zinc/58/68/17/328586817.db2.gz UDWUOSNFMLCXFI-QAPCUYQASA-N 0 1 284.403 3.574 20 0 CHADMN C[C@H](c1ccccc1F)N1CCC(Nc2ccccn2)CC1 ZINC000535573771 328593806 /nfs/dbraw/zinc/59/38/06/328593806.db2.gz IQGUUWPVYNKDBC-CQSZACIVSA-N 0 1 299.393 3.858 20 0 CHADMN Cn1ccnc1[C@@H](N[C@@H]1CCC12CCCC2)c1ccccc1 ZINC000530439866 326806011 /nfs/dbraw/zinc/80/60/11/326806011.db2.gz WAMZEXWLSBOFBO-SJORKVTESA-N 0 1 295.430 3.822 20 0 CHADMN Oc1cc(Cl)ccc1-c1nc(Cc2ccccc2)no1 ZINC000109036994 326822413 /nfs/dbraw/zinc/82/24/13/326822413.db2.gz RXGBYSSJSXSESP-UHFFFAOYSA-N 0 1 286.718 3.686 20 0 CHADMN CCOC(=O)C1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000072014070 326868925 /nfs/dbraw/zinc/86/89/25/326868925.db2.gz JIGHAAOPOGEQIE-LBPRGKRZSA-N 0 1 295.810 3.676 20 0 CHADMN CC[C@@H](NCc1cnc(C)o1)c1ccc(Cl)cc1 ZINC000398121955 326872064 /nfs/dbraw/zinc/87/20/64/326872064.db2.gz XDCDXSSSVGJTFV-CQSZACIVSA-N 0 1 264.756 3.877 20 0 CHADMN Cc1c([C@@H](C)N[C@H](C)c2ccc(Cl)s2)cnn1C ZINC000037167585 326918243 /nfs/dbraw/zinc/91/82/43/326918243.db2.gz HMWUCFRSHHLQPD-RKDXNWHRSA-N 0 1 283.828 3.855 20 0 CHADMN C[C@@H]1CCC[C@H](CN[C@H](c2ncc[nH]2)c2cccnc2)[C@H]1C ZINC000564814281 326959526 /nfs/dbraw/zinc/95/95/26/326959526.db2.gz WVMFRGANYUZOFX-DLTWYDFYSA-N 0 1 298.434 3.556 20 0 CHADMN CO[C@H](CNCc1ccsc1Cl)c1ccccc1 ZINC000312762615 326963205 /nfs/dbraw/zinc/96/32/05/326963205.db2.gz JVHZGDZYPSYEFL-CYBMUJFWSA-N 0 1 281.808 3.879 20 0 CHADMN Cc1ccc(-c2ccc(CN[C@H]3C[C@@H]3C(F)F)o2)cc1 ZINC000584105256 326970708 /nfs/dbraw/zinc/97/07/08/326970708.db2.gz MXVNPGXCHPQNBA-KBPBESRZSA-N 0 1 277.314 3.998 20 0 CHADMN COc1cccc(C2(N[C@@H](C)c3ccoc3)CC2)c1 ZINC000556912720 326982207 /nfs/dbraw/zinc/98/22/07/326982207.db2.gz VNACMBIOTBDFMK-LBPRGKRZSA-N 0 1 257.333 3.628 20 0 CHADMN Fc1ccc(CNCc2sccc2Cl)cc1F ZINC000310193937 326983739 /nfs/dbraw/zinc/98/37/39/326983739.db2.gz AZJMSFUKZOBKSY-UHFFFAOYSA-N 0 1 273.735 3.970 20 0 CHADMN Cc1cnc(CN(C)[C@H](C)Cc2ccccc2C)s1 ZINC000576100636 327016505 /nfs/dbraw/zinc/01/65/05/327016505.db2.gz XCZIWJYQVPKYII-CYBMUJFWSA-N 0 1 274.433 3.823 20 0 CHADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000263349727 327020907 /nfs/dbraw/zinc/02/09/07/327020907.db2.gz PLHYBGJXDHMUAQ-ZFWWWQNUSA-N 0 1 289.419 3.527 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@@H]1CC[C@H]1C ZINC000557753035 327025071 /nfs/dbraw/zinc/02/50/71/327025071.db2.gz INYQCIDZDDEBRK-BXKDBHETSA-N 0 1 260.312 3.593 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCCC2(CCCCC2)CC1 ZINC000584177994 327055391 /nfs/dbraw/zinc/05/53/91/327055391.db2.gz WKLCQQFKBDIPRH-AWEZNQCLSA-N 0 1 267.413 3.676 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3cc(F)ccc31)CO2 ZINC000537958106 327088919 /nfs/dbraw/zinc/08/89/19/327088919.db2.gz HROYXECCZVDVEO-SJORKVTESA-N 0 1 283.346 3.845 20 0 CHADMN C[C@@H]([C@H](C)NCc1nnc(C2CC2)o1)C1CCCCC1 ZINC000558403191 327091181 /nfs/dbraw/zinc/09/11/81/327091181.db2.gz SSRLCZUBAQDWCB-RYUDHWBXSA-N 0 1 277.412 3.642 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(Cl)cn2)cc1C ZINC000558404241 327091500 /nfs/dbraw/zinc/09/15/00/327091500.db2.gz NKGFYBQVKYDZDW-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN COc1cc(C)nc(CNCc2ccc3sccc3c2)c1 ZINC000558480836 327097428 /nfs/dbraw/zinc/09/74/28/327097428.db2.gz VIEGXPYFKBGKSX-UHFFFAOYSA-N 0 1 298.411 3.903 20 0 CHADMN C[C@H](N[C@H]1CCC(C)(C)C1)c1nc(Cc2ccccc2)no1 ZINC000506925156 332782180 /nfs/dbraw/zinc/78/21/80/332782180.db2.gz GMVIOFCWUDSMTE-ZFWWWQNUSA-N 0 1 299.418 3.890 20 0 CHADMN C[C@@H]1C[C@H](C)N1Cc1cncc(OCc2ccccc2)c1 ZINC000558702356 327115144 /nfs/dbraw/zinc/11/51/44/327115144.db2.gz BBAZGENNAVTBBY-GASCZTMLSA-N 0 1 282.387 3.643 20 0 CHADMN CC1(C)SC[C@@H]1NCc1csc(-c2ccccc2)n1 ZINC000558789476 327120548 /nfs/dbraw/zinc/12/05/48/327120548.db2.gz HLBPKPQGHKUGGP-ZDUSSCGKSA-N 0 1 290.457 3.794 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000569347679 327120977 /nfs/dbraw/zinc/12/09/77/327120977.db2.gz MFIQPPIXSMOJOB-NUEKZKHPSA-N 0 1 275.392 3.508 20 0 CHADMN CCc1cccc(NC(=O)c2cn[nH]c2C(C)(C)C)c1 ZINC000558808819 327121536 /nfs/dbraw/zinc/12/15/36/327121536.db2.gz WEDCQNLCCSJBNV-UHFFFAOYSA-N 0 1 271.364 3.522 20 0 CHADMN Cc1nc2cccc(C(=O)NCCC3=CCCCCC3)c2[nH]1 ZINC000558827846 327123150 /nfs/dbraw/zinc/12/31/50/327123150.db2.gz PJFSCQKNNQEIFC-UHFFFAOYSA-N 0 1 297.402 3.882 20 0 CHADMN C[C@H](CN(C)Cc1cscn1)C1CCCCC1 ZINC000559048994 327139301 /nfs/dbraw/zinc/13/93/01/327139301.db2.gz AZLGFNZLUJMMGU-GFCCVEGCSA-N 0 1 252.427 3.791 20 0 CHADMN Cc1ccsc1CNCc1conc1Cc1ccccc1 ZINC000559248531 327150394 /nfs/dbraw/zinc/15/03/94/327150394.db2.gz FABOWUVYVZRTQS-UHFFFAOYSA-N 0 1 298.411 3.925 20 0 CHADMN Cc1cc(Cl)cc(CN[C@@H](CO)c2ccc(F)cc2)c1 ZINC000559267738 327152374 /nfs/dbraw/zinc/15/23/74/327152374.db2.gz SPQKIPWCQWZETC-INIZCTEOSA-N 0 1 293.769 3.611 20 0 CHADMN CC(C)C[C@H](C)C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000410407402 327192053 /nfs/dbraw/zinc/19/20/53/327192053.db2.gz KQJWQYVRMSOGQJ-DZGCQCFKSA-N 0 1 267.438 3.804 20 0 CHADMN CC(C)C[C@H](C)CN1CCO[C@@H](c2ccsc2)C1 ZINC000410407402 327192054 /nfs/dbraw/zinc/19/20/54/327192054.db2.gz KQJWQYVRMSOGQJ-DZGCQCFKSA-N 0 1 267.438 3.804 20 0 CHADMN c1ccc2c(c1)cccc2C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000569572442 327200147 /nfs/dbraw/zinc/20/01/47/327200147.db2.gz BIEHJJQGYAPINT-GOSISDBHSA-N 0 1 299.439 3.548 20 0 CHADMN COC1(CCN(C)[C@@H](C)c2c(F)cccc2F)CCC1 ZINC000569593519 327203602 /nfs/dbraw/zinc/20/36/02/327203602.db2.gz OZYFWSLAJRQWNL-LBPRGKRZSA-N 0 1 283.362 3.917 20 0 CHADMN CCN(Cc1cn(C)nc1C(F)F)Cc1ccc(C)cc1 ZINC000584265811 327204110 /nfs/dbraw/zinc/20/41/10/327204110.db2.gz LPPGXRUQIXVKDM-UHFFFAOYSA-N 0 1 293.361 3.688 20 0 CHADMN CCc1ccc(CN2CC=C(C(F)(F)F)CC2)cc1 ZINC000533831341 327220314 /nfs/dbraw/zinc/22/03/14/327220314.db2.gz AKAFFDULGNICQT-UHFFFAOYSA-N 0 1 269.310 3.943 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(F)cc2Br)C1 ZINC000042229607 327235715 /nfs/dbraw/zinc/23/57/15/327235715.db2.gz XOXSFROVQVRSCL-SNVBAGLBSA-N 0 1 286.188 3.820 20 0 CHADMN Cc1nsc(C)c1CN(C)[C@H]1CCc2ccccc21 ZINC000559638019 327256092 /nfs/dbraw/zinc/25/60/92/327256092.db2.gz PTKPIBJTGYEGBK-INIZCTEOSA-N 0 1 272.417 3.879 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnn(CC)c1)c1ccccc1OC ZINC000044496986 327267426 /nfs/dbraw/zinc/26/74/26/327267426.db2.gz DTMXPOFUOFDMMC-XJKSGUPXSA-N 0 1 287.407 3.714 20 0 CHADMN CC(C)=CCSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000559982485 327274749 /nfs/dbraw/zinc/27/47/49/327274749.db2.gz QGAHEBZSLVDYCN-VOTSOKGWSA-N 0 1 275.377 3.935 20 0 CHADMN CO[C@@H]1CCN(Cc2cscc2C(F)(F)F)C[C@@H]1C ZINC000449492749 327276349 /nfs/dbraw/zinc/27/63/49/327276349.db2.gz CPUVMSFJFVALFF-JOYOIKCWSA-N 0 1 293.354 3.624 20 0 CHADMN CO[C@H]1CCN(Cc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000449496782 327283372 /nfs/dbraw/zinc/28/33/72/327283372.db2.gz JOLOUYAVJCLTGZ-YGRLFVJLSA-N 0 1 288.218 3.850 20 0 CHADMN CC[C@H]1CCC[C@@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000560341983 327301548 /nfs/dbraw/zinc/30/15/48/327301548.db2.gz NLRDJDNRKCFQHF-JQWIXIFHSA-N 0 1 282.347 3.907 20 0 CHADMN Cc1cc2cc(CN3CCC[C@H]3CF)oc2cc1C ZINC000560611963 327330409 /nfs/dbraw/zinc/33/04/09/327330409.db2.gz VPTDYEDQUMJZFJ-AWEZNQCLSA-N 0 1 261.340 3.984 20 0 CHADMN CN(CCOCC1CCC1)Cc1ccc(Cl)c(F)c1 ZINC000560662791 327334568 /nfs/dbraw/zinc/33/45/68/327334568.db2.gz AWQYAOILKQJINV-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H]1C1CC1)c1noc(-c2ccccc2)n1 ZINC000566360231 327335573 /nfs/dbraw/zinc/33/55/73/327335573.db2.gz VKERILRSAFPTMH-GLQYFDAESA-N 0 1 283.375 3.576 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000566359200 327335855 /nfs/dbraw/zinc/33/58/55/327335855.db2.gz RBOOULWNTJMKPO-SUMWQHHRSA-N 0 1 289.375 3.861 20 0 CHADMN CCCC[C@@H](CC)C[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000583387101 327337911 /nfs/dbraw/zinc/33/79/11/327337911.db2.gz YJZSSXDXZJKDFJ-OAHLLOKOSA-N 0 1 277.408 3.790 20 0 CHADMN CCOC(=O)[C@H](CC)Sc1nc2ccc(Cl)cc2[nH]1 ZINC000560991079 327356988 /nfs/dbraw/zinc/35/69/88/327356988.db2.gz RVNQALOTMJWNRY-NSHDSACASA-N 0 1 298.795 3.650 20 0 CHADMN Cc1cccc(CNCc2ccc3nc(C)ccc3c2)n1 ZINC000097861613 327370260 /nfs/dbraw/zinc/37/02/60/327370260.db2.gz XCIPBWNECBIIBD-UHFFFAOYSA-N 0 1 277.371 3.536 20 0 CHADMN Cc1cccnc1CN[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000561209585 327375121 /nfs/dbraw/zinc/37/51/21/327375121.db2.gz LLJWAKXREZUZJJ-INIZCTEOSA-N 0 1 295.430 3.841 20 0 CHADMN Cc1ccsc1CN(C)Cc1cn(C)nc1C(C)(C)C ZINC000561250842 327379370 /nfs/dbraw/zinc/37/93/70/327379370.db2.gz XUNMLKFPTIRCGQ-UHFFFAOYSA-N 0 1 291.464 3.720 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCC(=O)[O-] ZINC000569622897 327382614 /nfs/dbraw/zinc/38/26/14/327382614.db2.gz LNMNXOQPJNBAEP-LBPRGKRZSA-N 0 1 290.190 3.851 20 0 CHADMN C[C@@H]1CN(Cc2cccc(NCC3(C)CC3)c2)C[C@@H](C)O1 ZINC000564511990 327389902 /nfs/dbraw/zinc/38/99/02/327389902.db2.gz DKTCGUHVIISVST-HUUCEWRRSA-N 0 1 288.435 3.508 20 0 CHADMN CCc1ccc(CN[C@@H]2CCc3c2cccc3OC)o1 ZINC000151365344 327467447 /nfs/dbraw/zinc/46/74/47/327467447.db2.gz HOTTYDUPAIRYTA-MRXNPFEDSA-N 0 1 271.360 3.628 20 0 CHADMN CCc1noc(C)c1CNCc1cccc2ccoc21 ZINC000562663395 327502528 /nfs/dbraw/zinc/50/25/28/327502528.db2.gz AGGZEIOZMXBITI-UHFFFAOYSA-N 0 1 270.332 3.581 20 0 CHADMN Cc1ccc(CN[C@@H]2c3ccccc3O[C@@H]2C)cc1F ZINC000569883155 327553308 /nfs/dbraw/zinc/55/33/08/327553308.db2.gz DRZGTMJOTMSBOR-PXAZEXFGSA-N 0 1 271.335 3.746 20 0 CHADMN Nc1ccc2c(c1)CC[C@H]2NCc1ccc(F)cc1Cl ZINC000570529815 327598440 /nfs/dbraw/zinc/59/84/40/327598440.db2.gz XEDWUFJFXBSMFW-MRXNPFEDSA-N 0 1 290.769 3.838 20 0 CHADMN CCC(CC)[C@H](NCc1ccnc(OC)n1)c1ccccc1 ZINC000395140359 328612879 /nfs/dbraw/zinc/61/28/79/328612879.db2.gz XWLKEJNYPNKNDW-KRWDZBQOSA-N 0 1 299.418 3.752 20 0 CHADMN CC1(C)CCC[C@@H]1CNC(=O)c1ccc(O)c(Cl)c1 ZINC000389165142 328634458 /nfs/dbraw/zinc/63/44/58/328634458.db2.gz URCSURRUCVPHFU-LLVKDONJSA-N 0 1 281.783 3.602 20 0 CHADMN CCCOc1ccc(CN[C@H](C)c2ncccc2CC)cn1 ZINC000507536684 332813338 /nfs/dbraw/zinc/81/33/38/332813338.db2.gz XCHDEKOWKVOSOB-CQSZACIVSA-N 0 1 299.418 3.679 20 0 CHADMN CC(C)COC1CCN(Cc2ccccc2Cl)CC1 ZINC000054321961 328691472 /nfs/dbraw/zinc/69/14/72/328691472.db2.gz HQIGBSFPEHEHBT-UHFFFAOYSA-N 0 1 281.827 3.977 20 0 CHADMN C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000042355616 328766906 /nfs/dbraw/zinc/76/69/06/328766906.db2.gz AZYOARYRQVEIMI-PWSUYJOCSA-N 0 1 281.783 3.696 20 0 CHADMN Cc1ccccc1Cc1noc([C@H](C)N2CCCCCC2)n1 ZINC000526954281 328816881 /nfs/dbraw/zinc/81/68/81/328816881.db2.gz KROVIEXHINNFAG-HNNXBMFYSA-N 0 1 299.418 3.906 20 0 CHADMN CCOc1cc(CN2[C@H](C)C[C@H]2C)ccc1OC(F)F ZINC000526989300 328819834 /nfs/dbraw/zinc/81/98/34/328819834.db2.gz ICRXRCRHZPJLNU-GHMZBOCLSA-N 0 1 285.334 3.669 20 0 CHADMN O=C(Nc1ccc(Cl)cc1Cl)C12CCCN1CCC2 ZINC000377555197 329019115 /nfs/dbraw/zinc/01/91/15/329019115.db2.gz AENQZOBYHCXUJW-UHFFFAOYSA-N 0 1 299.201 3.560 20 0 CHADMN Fc1ccc2c(c1)onc2C1CCN(C/C=C/Cl)CC1 ZINC000377678015 329024110 /nfs/dbraw/zinc/02/41/10/329024110.db2.gz NLIAGUPFKDDPNO-LZCJLJQNSA-N 0 1 294.757 3.899 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](NCc1cncn1C)CCCO2 ZINC000377796778 329029779 /nfs/dbraw/zinc/02/97/79/329029779.db2.gz UPKMVXSEKJCUNQ-QGZVFWFLSA-N 0 1 299.418 3.547 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](NCc1cncn1C)CCCO2 ZINC000377796777 329029781 /nfs/dbraw/zinc/02/97/81/329029781.db2.gz UPKMVXSEKJCUNQ-KRWDZBQOSA-N 0 1 299.418 3.547 20 0 CHADMN c1sc(-c2ccccn2)nc1CN1CCC2(CC2)CC1 ZINC000378326681 329046096 /nfs/dbraw/zinc/04/60/96/329046096.db2.gz OQAAOLVJNDXAFM-UHFFFAOYSA-N 0 1 285.416 3.581 20 0 CHADMN C[C@@H](SCc1n[nH]c(C2CC2)n1)c1ccc(F)c(F)c1 ZINC000193622374 329060153 /nfs/dbraw/zinc/06/01/53/329060153.db2.gz WKHBMJKTRRNLQH-MRVPVSSYSA-N 0 1 295.358 3.955 20 0 CHADMN CCc1cc(NC(=O)c2cn[nH]c2C(C)C)ccc1C ZINC000193869398 329062420 /nfs/dbraw/zinc/06/24/20/329062420.db2.gz FEGSEMLDPXHPQB-UHFFFAOYSA-N 0 1 271.364 3.656 20 0 CHADMN C=Cn1cc(CN2C[C@H](C)C[C@@H]2c2ccccc2F)cn1 ZINC000193982755 329064395 /nfs/dbraw/zinc/06/43/95/329064395.db2.gz WMQUPXVTAUHTST-CXAGYDPISA-N 0 1 285.366 3.706 20 0 CHADMN CC[C@@](C)(CN[C@@H](c1ccccc1)c1ccccn1)OC ZINC000322507785 329073061 /nfs/dbraw/zinc/07/30/61/329073061.db2.gz HZOJEDBUSGNREU-ROUUACIJSA-N 0 1 284.403 3.576 20 0 CHADMN C[C@H](NCc1cnc[nH]1)c1cccc(Cl)c1Cl ZINC000172216329 329083979 /nfs/dbraw/zinc/08/39/79/329083979.db2.gz MXLKLBTZUNOVOY-QMMMGPOBSA-N 0 1 270.163 3.567 20 0 CHADMN c1cn2cc(CN3CCC[C@]4(CC=CCC4)C3)nc2s1 ZINC000172282970 329084342 /nfs/dbraw/zinc/08/43/42/329084342.db2.gz PDKBZPCVLZXOKO-MRXNPFEDSA-N 0 1 287.432 3.718 20 0 CHADMN CC(C)n1ccnc1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000172283354 329084520 /nfs/dbraw/zinc/08/45/20/329084520.db2.gz UTVDHCBVMSSJAF-KRWDZBQOSA-N 0 1 273.424 3.786 20 0 CHADMN CCS[C@H]1CCC[C@H]1NCc1cc(C(C)(C)C)on1 ZINC000582489251 329097189 /nfs/dbraw/zinc/09/71/89/329097189.db2.gz JUEUAJCWQDHSNQ-OLZOCXBDSA-N 0 1 282.453 3.736 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000582496229 329101106 /nfs/dbraw/zinc/10/11/06/329101106.db2.gz AMQQVCFGBAHHNZ-DZGCQCFKSA-N 0 1 299.418 3.984 20 0 CHADMN C[C@H]1CCCC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000582551504 329106313 /nfs/dbraw/zinc/10/63/13/329106313.db2.gz IUXKXKSAFHLMFQ-NSHDSACASA-N 0 1 281.783 3.660 20 0 CHADMN CC[C@H](C)C[N@@H+](C)Cc1cccc(C(=O)[O-])c1Cl ZINC000394252043 329112233 /nfs/dbraw/zinc/11/22/33/329112233.db2.gz DIYLRCSRLSBJKH-JTQLQIEISA-N 0 1 269.772 3.516 20 0 CHADMN C[C@@H]1CSCCN1Cc1cc(Cl)cc2cccnc21 ZINC000172588003 329137583 /nfs/dbraw/zinc/13/75/83/329137583.db2.gz DXUJBABITVQSSG-LLVKDONJSA-N 0 1 292.835 3.826 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2CCC[C@H](C)[C@@H]2C)c(C)c1 ZINC000172855069 329139398 /nfs/dbraw/zinc/13/93/98/329139398.db2.gz DPLCRHPPQJLENH-BBRMVZONSA-N 0 1 288.435 3.671 20 0 CHADMN CC(C)C[C@@H]1CCN(Cc2ccc(Br)cn2)C1 ZINC000307783164 329147509 /nfs/dbraw/zinc/14/75/09/329147509.db2.gz LUMCBBAZFQBEHF-LBPRGKRZSA-N 0 1 297.240 3.712 20 0 CHADMN Cc1csc(CN2CCC(C(C)(C)C)CC2)n1 ZINC000176374628 329175062 /nfs/dbraw/zinc/17/50/62/329175062.db2.gz RUVNLICLRMCYNT-UHFFFAOYSA-N 0 1 252.427 3.710 20 0 CHADMN Cc1occc1CNCc1ccc(F)c(Cl)c1 ZINC000320998158 329176211 /nfs/dbraw/zinc/17/62/11/329176211.db2.gz RSVNCIROAOOUPN-UHFFFAOYSA-N 0 1 253.704 3.670 20 0 CHADMN Clc1cnccc1CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000177184870 329181641 /nfs/dbraw/zinc/18/16/41/329181641.db2.gz ZTECAHQKCXQXQO-UONOGXRCSA-N 0 1 282.840 3.595 20 0 CHADMN CCC(CC)N(CC(C)C)C(=O)c1cccc2c[nH]nc21 ZINC000178014569 329191464 /nfs/dbraw/zinc/19/14/64/329191464.db2.gz FPKAXSPCHMHGFQ-UHFFFAOYSA-N 0 1 287.407 3.850 20 0 CHADMN CC(C)CC[C@H]1CCCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000177900124 329193925 /nfs/dbraw/zinc/19/39/25/329193925.db2.gz FAUGUQBKUYKAQD-CQSZACIVSA-N 0 1 289.423 3.718 20 0 CHADMN CCCn1cc(CN2CC[C@@H](C)C[C@@H]2c2ccco2)cn1 ZINC000180077394 329215184 /nfs/dbraw/zinc/21/51/84/329215184.db2.gz GIPHHIIKUVLKRJ-GDBMZVCRSA-N 0 1 287.407 3.859 20 0 CHADMN C[C@@H]1CCC[C@H](N(C)Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000181100533 329226106 /nfs/dbraw/zinc/22/61/06/329226106.db2.gz GYNMFGWZMSIHEU-DOMZBBRYSA-N 0 1 288.439 3.501 20 0 CHADMN CCC(CC)CN(CC)Cc1nnc(C2CC2)n1C1CC1 ZINC000181093608 329226154 /nfs/dbraw/zinc/22/61/54/329226154.db2.gz UVXZPMHXZRVISV-UHFFFAOYSA-N 0 1 290.455 3.749 20 0 CHADMN CC(C)N(Cc1nnc(C2CCC2)n1C)C1CCCCC1 ZINC000181454668 329233412 /nfs/dbraw/zinc/23/34/12/329233412.db2.gz SGZBTFRBFPTWNX-UHFFFAOYSA-N 0 1 290.455 3.626 20 0 CHADMN CO[C@@H](C)C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000182353005 329241928 /nfs/dbraw/zinc/24/19/28/329241928.db2.gz FGKYGPOCTQJURW-HNNXBMFYSA-N 0 1 296.414 3.748 20 0 CHADMN Clc1ccc(CCNCc2ncc(Cl)s2)s1 ZINC000225315341 329250707 /nfs/dbraw/zinc/25/07/07/329250707.db2.gz TUDRDDXGKODUII-UHFFFAOYSA-N 0 1 293.244 3.844 20 0 CHADMN CC(C)c1ccc(C(=O)Nc2nc(C3CCC3)n[nH]2)s1 ZINC000184148158 329256887 /nfs/dbraw/zinc/25/68/87/329256887.db2.gz IIVVSXRGNMHCMP-UHFFFAOYSA-N 0 1 290.392 3.509 20 0 CHADMN CC(C)c1ccc(C(=O)Nc2n[nH]c(C3CCC3)n2)s1 ZINC000184148158 329256889 /nfs/dbraw/zinc/25/68/89/329256889.db2.gz IIVVSXRGNMHCMP-UHFFFAOYSA-N 0 1 290.392 3.509 20 0 CHADMN CCCc1noc(CN(CCC)CCc2cccs2)n1 ZINC000184515708 329259821 /nfs/dbraw/zinc/25/98/21/329259821.db2.gz KQWQOOFZMAHJME-UHFFFAOYSA-N 0 1 293.436 3.538 20 0 CHADMN CCSCCN[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184891525 329263815 /nfs/dbraw/zinc/26/38/15/329263815.db2.gz CHGZNVBZEMICND-GFCCVEGCSA-N 0 1 276.405 3.745 20 0 CHADMN C[C@H](c1ccsc1)N1CCN([C@@H]2C=CCCC2)CC1 ZINC000185447562 329273843 /nfs/dbraw/zinc/27/38/43/329273843.db2.gz DMVJCKKWFYBHOA-GDBMZVCRSA-N 0 1 276.449 3.535 20 0 CHADMN O=C([O-])CC1(C[N@H+](Cc2ccccc2)CC2CCC2)CC1 ZINC000583090074 329314245 /nfs/dbraw/zinc/31/42/45/329314245.db2.gz YJJODYSRUXSGMQ-UHFFFAOYSA-N 0 1 287.403 3.544 20 0 CHADMN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CC1CCCC1 ZINC000583095571 329315450 /nfs/dbraw/zinc/31/54/50/329315450.db2.gz NPGSWYSIWYWDQM-JKSUJKDBSA-N 0 1 279.424 3.532 20 0 CHADMN CCc1nnc(CN(CC)C[C@@H](CC)c2ccccc2)o1 ZINC000186603822 329346533 /nfs/dbraw/zinc/34/65/33/329346533.db2.gz KNRUHHQDMASMKF-CQSZACIVSA-N 0 1 287.407 3.648 20 0 CHADMN CCC(CC)CN1CCSC[C@H]1c1nccs1 ZINC000186633902 329346686 /nfs/dbraw/zinc/34/66/86/329346686.db2.gz MPLYTZQJFKWSIC-LBPRGKRZSA-N 0 1 270.467 3.669 20 0 CHADMN CC(C)(C)c1ncc(CN2CCCC3(CC3)C2)s1 ZINC000186627876 329346839 /nfs/dbraw/zinc/34/68/39/329346839.db2.gz AGUWUBPFZCUMSZ-UHFFFAOYSA-N 0 1 264.438 3.817 20 0 CHADMN Cc1cc(C)c2c(c1)CN([C@H](C)c1ccccn1)CC2 ZINC000186724545 329348274 /nfs/dbraw/zinc/34/82/74/329348274.db2.gz FQAXGQPJTUUXON-OAHLLOKOSA-N 0 1 266.388 3.818 20 0 CHADMN Fc1ccc(-c2nc(CN3CCCC4(CC4)C3)co2)cc1 ZINC000187002798 329351490 /nfs/dbraw/zinc/35/14/90/329351490.db2.gz PNXXNNHKZJIDOM-UHFFFAOYSA-N 0 1 286.350 3.857 20 0 CHADMN Cc1ccc(CN2CCSC[C@@H]2c2ccccc2)c(C)n1 ZINC000187046234 329352008 /nfs/dbraw/zinc/35/20/08/329352008.db2.gz HYGSPXRSHCLIIT-GOSISDBHSA-N 0 1 298.455 3.989 20 0 CHADMN Clc1cc(Cl)cc(NCc2n[nH]c(C3CC3)n2)c1 ZINC000187399110 329357114 /nfs/dbraw/zinc/35/71/14/329357114.db2.gz OKXLHKXFZVASRK-UHFFFAOYSA-N 0 1 283.162 3.601 20 0 CHADMN c1cc(CN2Cc3ccccc3C3(CC3)C2)cs1 ZINC000187678555 329362197 /nfs/dbraw/zinc/36/21/97/329362197.db2.gz VWLIIUDRNDDJCF-UHFFFAOYSA-N 0 1 255.386 3.796 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2occc2C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000583209904 329365694 /nfs/dbraw/zinc/36/56/94/329365694.db2.gz XJVKUTXBAUMISJ-HIFRSBDPSA-N 0 1 299.370 3.603 20 0 CHADMN C[C@@H](NCc1ccc(C2CC2)cc1)c1cncc(F)c1 ZINC000188721197 329370707 /nfs/dbraw/zinc/37/07/07/329370707.db2.gz PXJPXSIZYNJEOG-GFCCVEGCSA-N 0 1 270.351 3.949 20 0 CHADMN Fc1ccc(CN2CCC[C@H]2c2ccccc2)cn1 ZINC000189290505 329379292 /nfs/dbraw/zinc/37/92/92/329379292.db2.gz RZEMRBHQRLXLOQ-HNNXBMFYSA-N 0 1 256.324 3.558 20 0 CHADMN Cc1cccc2c1OCC[C@H]2N[C@H](C)c1cnn(C(C)C)c1 ZINC000189370101 329380345 /nfs/dbraw/zinc/38/03/45/329380345.db2.gz ROFOLDJBKYTVKZ-RHSMWYFYSA-N 0 1 299.418 3.947 20 0 CHADMN Clc1oc2ccccc2c1CN1C[C@@H]2C[C@H]1CS2 ZINC000459747011 329380622 /nfs/dbraw/zinc/38/06/22/329380622.db2.gz GPNLPDCXTIQXEA-UWVGGRQHSA-N 0 1 279.792 3.776 20 0 CHADMN Cc1ccc(CCC(=O)Nc2cccc(Cl)c2O)s1 ZINC000583234062 329386348 /nfs/dbraw/zinc/38/63/48/329386348.db2.gz KXROILPJWMBVKI-UHFFFAOYSA-N 0 1 295.791 3.987 20 0 CHADMN CCCCCN(Cc1nnc(C)o1)[C@H](C)CCC ZINC000063614302 329390661 /nfs/dbraw/zinc/39/06/61/329390661.db2.gz DRHILZOKTHVIJU-GFCCVEGCSA-N 0 1 253.390 3.559 20 0 CHADMN C[C@H](NCc1cc(Cl)cc(Cl)c1)c1cnn(C)c1 ZINC000310776724 329539558 /nfs/dbraw/zinc/53/95/58/329539558.db2.gz VXMMQEBWEJMPIW-VIFPVBQESA-N 0 1 284.190 3.578 20 0 CHADMN Cc1ccc(-c2ncc(CN[C@H](C)c3cccnc3)s2)o1 ZINC000125202672 329579072 /nfs/dbraw/zinc/57/90/72/329579072.db2.gz OCRMNVDBCJZVRF-GFCCVEGCSA-N 0 1 299.399 3.957 20 0 CHADMN CC[C@H](NCc1cc(C)no1)c1ccc(OC(F)F)cc1 ZINC000125671038 329585901 /nfs/dbraw/zinc/58/59/01/329585901.db2.gz LEXOYPKXNBJBTP-AWEZNQCLSA-N 0 1 296.317 3.825 20 0 CHADMN c1coc(CNCc2cccc(-c3ccccn3)c2)c1 ZINC000126274975 329591258 /nfs/dbraw/zinc/59/12/58/329591258.db2.gz HASKENUTPJXTDZ-UHFFFAOYSA-N 0 1 264.328 3.631 20 0 CHADMN CC(C)[C@@H](CC(F)(F)F)N[C@H](C)c1cscn1 ZINC000527100130 329694324 /nfs/dbraw/zinc/69/43/24/329694324.db2.gz VHGAUUTWBWCHLH-RKDXNWHRSA-N 0 1 266.332 3.771 20 0 CHADMN Fc1cccc(CCN2CCC(OC3CCC3)CC2)c1F ZINC000419312441 329716168 /nfs/dbraw/zinc/71/61/68/329716168.db2.gz YZHBSDLXPSCCJY-UHFFFAOYSA-N 0 1 295.373 3.541 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cs1 ZINC000245907024 329758775 /nfs/dbraw/zinc/75/87/75/329758775.db2.gz OSCKLGLCUPKBGC-UNJBNNCHSA-N 0 1 294.464 3.731 20 0 CHADMN C[C@H]1C[C@H](C)N1Cc1cc(Cl)cc2cccnc21 ZINC000548097450 329758910 /nfs/dbraw/zinc/75/89/10/329758910.db2.gz DYZYJNLCELWINO-QWRGUYRKSA-N 0 1 260.768 3.871 20 0 CHADMN Cc1ccc2nc(CNCc3cccc(C4CC4)c3)cn2c1 ZINC000421327401 329812663 /nfs/dbraw/zinc/81/26/63/329812663.db2.gz PZGUXJIHYPWCSQ-UHFFFAOYSA-N 0 1 291.398 3.810 20 0 CHADMN Cc1c(Cl)c(CNCC(C)(C)C(C)(C)C)nn1C ZINC000421384475 329818664 /nfs/dbraw/zinc/81/86/64/329818664.db2.gz OZASOULIYUKFSV-UHFFFAOYSA-N 0 1 271.836 3.544 20 0 CHADMN Cc1c(Cl)c(CN[C@H](C)[C@@H](C)c2ccccc2)nn1C ZINC000421367758 329823932 /nfs/dbraw/zinc/82/39/32/329823932.db2.gz UFZVPXWVBQYQPI-VXGBXAGGSA-N 0 1 291.826 3.664 20 0 CHADMN C[C@@H]1CC[C@H](NCc2noc(-c3cccs3)n2)[C@@H](C)C1 ZINC000571827100 329923591 /nfs/dbraw/zinc/92/35/91/329923591.db2.gz UQZDOLNGOPTJMI-WOPDTQHZSA-N 0 1 291.420 3.712 20 0 CHADMN NC1(c2noc(/C=C/c3cc4ccccc4o3)n2)CCCC1 ZINC000261606757 329972964 /nfs/dbraw/zinc/97/29/64/329972964.db2.gz AEQGMPZTDYXZMP-BQYQJAHWSA-N 0 1 295.342 3.714 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(/C=C/c2nc(C3(N)CCCC3)no2)o1 ZINC000261768838 329982471 /nfs/dbraw/zinc/98/24/71/329982471.db2.gz MZWXLYLASVAREU-BVKQBWKVSA-N 0 1 299.374 3.684 20 0 CHADMN c1nc(CN2CCCC[C@H]2CCc2ccccc2)co1 ZINC000432745397 330016579 /nfs/dbraw/zinc/01/65/79/330016579.db2.gz BRFGACMQWDMTIJ-KRWDZBQOSA-N 0 1 270.376 3.662 20 0 CHADMN CCCC1CCC(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)CC1 ZINC000263064217 330041738 /nfs/dbraw/zinc/04/17/38/330041738.db2.gz NOZORRNQDFOYQB-LBDPXKHJSA-N 0 1 281.440 3.636 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC000263195948 330048611 /nfs/dbraw/zinc/04/86/11/330048611.db2.gz WMRBUOGABGTQDR-HNNXBMFYSA-N 0 1 267.413 3.534 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](CCCc1cccc2ccccc21)C1CC1 ZINC000263198101 330048747 /nfs/dbraw/zinc/04/87/47/330048747.db2.gz WTZKFOQFYCQOKL-AWEZNQCLSA-N 0 1 297.398 3.710 20 0 CHADMN Cc1cccc([C@@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000263415503 330054735 /nfs/dbraw/zinc/05/47/35/330054735.db2.gz NCFCVEKKRIJJBN-GOSISDBHSA-N 0 1 295.382 3.683 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000263446848 330056305 /nfs/dbraw/zinc/05/63/05/330056305.db2.gz GAWAUPXASFAVAV-GOSISDBHSA-N 0 1 285.387 3.707 20 0 CHADMN Cc1ccc(-c2cccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])c2)cc1 ZINC000263462698 330056948 /nfs/dbraw/zinc/05/69/48/330056948.db2.gz CDLGQCZIJSMWDC-OAHLLOKOSA-N 0 1 297.398 3.815 20 0 CHADMN CC(C)[C@H]1[N@@H+](Cc2cccc(C(=O)[O-])c2)CC12CCCC2 ZINC000263425137 330057600 /nfs/dbraw/zinc/05/76/00/330057600.db2.gz QGAUFBUZZRWGLT-MRXNPFEDSA-N 0 1 287.403 3.785 20 0 CHADMN Cc1ccccc1-c1ccccc1C[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000263504724 330058143 /nfs/dbraw/zinc/05/81/43/330058143.db2.gz LRCDZCKSOQLJHL-HNNXBMFYSA-N 0 1 297.398 3.815 20 0 CHADMN CC(C)C[C@H](C[N@@H+](CC(=O)[O-])C(C)C)c1ccccc1 ZINC000263509801 330058444 /nfs/dbraw/zinc/05/84/44/330058444.db2.gz NAZNKZNCRFGNMM-MRXNPFEDSA-N 0 1 277.408 3.611 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CCC(F)(F)[C@@H](C)C1 ZINC000572412238 330067334 /nfs/dbraw/zinc/06/73/34/330067334.db2.gz XKQXJLZXFMIGSA-WDEREUQCSA-N 0 1 257.299 3.864 20 0 CHADMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)[C@@H]1CC12CC2 ZINC000421753015 330075981 /nfs/dbraw/zinc/07/59/81/330075981.db2.gz XDAYLWBDLYSYJG-NSHDSACASA-N 0 1 293.326 3.562 20 0 CHADMN Cc1cccc(CNCc2ccc(F)c(C(F)(F)F)c2)n1 ZINC000162583566 330076819 /nfs/dbraw/zinc/07/68/19/330076819.db2.gz ZGYRMDUVVAURRH-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN C[C@@H](NCCOC1CCCCC1)c1ccncc1Cl ZINC000421823869 330083030 /nfs/dbraw/zinc/08/30/30/330083030.db2.gz FQGQHKARHAYFMG-GFCCVEGCSA-N 0 1 282.815 3.735 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1cc(C)nc(C)c1 ZINC000421853762 330088618 /nfs/dbraw/zinc/08/86/18/330088618.db2.gz JUKDIVXTYMGTDL-CQSZACIVSA-N 0 1 269.392 3.507 20 0 CHADMN C[C@@H](NCCOCC1CCCC1)c1ccncc1Cl ZINC000421865708 330099063 /nfs/dbraw/zinc/09/90/63/330099063.db2.gz ZWGUJURSNFLIKM-GFCCVEGCSA-N 0 1 282.815 3.592 20 0 CHADMN CCc1noc(C)c1CN(Cc1ccccc1)C(C)C ZINC000162655130 330100651 /nfs/dbraw/zinc/10/06/51/330100651.db2.gz NNYFIDVYUQAYLE-UHFFFAOYSA-N 0 1 272.392 3.956 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000574995775 330126278 /nfs/dbraw/zinc/12/62/78/330126278.db2.gz JTBNNCWUMBXYCD-MRXNPFEDSA-N 0 1 293.407 3.549 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](c1ccccc1F)[C@H](C)O)CC2 ZINC000580439851 330134825 /nfs/dbraw/zinc/13/48/25/330134825.db2.gz UJXRIRDKVGVEPL-MJXNMMHHSA-N 0 1 299.389 3.833 20 0 CHADMN COc1cccc(C2(NCc3ccccc3N(C)C)CC2)c1 ZINC000510194179 332896361 /nfs/dbraw/zinc/89/63/61/332896361.db2.gz SXSDHDKXRLBFRE-UHFFFAOYSA-N 0 1 296.414 3.540 20 0 CHADMN C[C@H](Nc1ccc2nn[nH]c2c1)c1cc2ccccc2o1 ZINC000580479936 330146959 /nfs/dbraw/zinc/14/69/59/330146959.db2.gz LWHANMHRVQWSIJ-JTQLQIEISA-N 0 1 278.315 3.877 20 0 CHADMN C[C@H](Nc1ccc2n[nH]nc2c1)c1cc2ccccc2o1 ZINC000580479936 330146960 /nfs/dbraw/zinc/14/69/60/330146960.db2.gz LWHANMHRVQWSIJ-JTQLQIEISA-N 0 1 278.315 3.877 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000081178213 330168014 /nfs/dbraw/zinc/16/80/14/330168014.db2.gz OWMIHKFVFYQXRA-DOMZBBRYSA-N 0 1 285.391 3.604 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccc2c(c1)CCCN2 ZINC000423452064 330202834 /nfs/dbraw/zinc/20/28/34/330202834.db2.gz VVWYMXIFHUSWPI-AWEZNQCLSA-N 0 1 295.430 3.853 20 0 CHADMN CCc1ccc([C@H](C)NCc2cc(C)cc(N)c2)o1 ZINC000423477598 330205967 /nfs/dbraw/zinc/20/59/67/330205967.db2.gz LSZLZHGUHJTMAS-LBPRGKRZSA-N 0 1 258.365 3.583 20 0 CHADMN CC(C)(NCC1(C)CCC1)c1cc(C(F)(F)F)on1 ZINC000433199067 330207532 /nfs/dbraw/zinc/20/75/32/330207532.db2.gz AWXHHANCKXXNPF-UHFFFAOYSA-N 0 1 276.302 3.708 20 0 CHADMN Cn1cc(Cl)c(CN[C@@H]2CCCCC23CCCC3)n1 ZINC000393335917 330229445 /nfs/dbraw/zinc/22/94/45/330229445.db2.gz DSTWDAMFLAOXPY-CQSZACIVSA-N 0 1 281.831 3.666 20 0 CHADMN C[C@H](C[NH2+]Cc1cccc([O-])c1Cl)CC(F)(F)F ZINC000397020267 330235987 /nfs/dbraw/zinc/23/59/87/330235987.db2.gz RBGKDUFNVXLFCX-QMMMGPOBSA-N 0 1 281.705 3.724 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccc3c2OCO3)c(C)s1 ZINC000036325186 330254201 /nfs/dbraw/zinc/25/42/01/330254201.db2.gz COBNSTDVWKDZPS-LLVKDONJSA-N 0 1 289.400 3.944 20 0 CHADMN FC1(CN2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000527510005 330254800 /nfs/dbraw/zinc/25/48/00/330254800.db2.gz UTVYDPPKEHEIHZ-CYBMUJFWSA-N 0 1 253.748 3.979 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(CO)ccc1F ZINC000528398988 330255328 /nfs/dbraw/zinc/25/53/28/330255328.db2.gz HKSBJUGTAPRGCX-KDOFPFPSSA-N 0 1 299.389 3.696 20 0 CHADMN C[C@@H]1C[C@@H](C)N1Cc1c(Cl)cccc1N1CCCC1 ZINC000527529436 330258197 /nfs/dbraw/zinc/25/81/97/330258197.db2.gz NVDWQJIMTWQOJP-CHWSQXEVSA-N 0 1 278.827 3.923 20 0 CHADMN C[C@H](N[C@@H](CO)c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000536866948 330258416 /nfs/dbraw/zinc/25/84/16/330258416.db2.gz BWFZTKOBPACSKK-ZBEGNZNMSA-N 0 1 293.769 3.863 20 0 CHADMN Cc1cc(CNC(C)(C)c2ccccc2F)ccn1 ZINC000527540951 330261095 /nfs/dbraw/zinc/26/10/95/330261095.db2.gz ZMLUQRONWLSGLG-UHFFFAOYSA-N 0 1 258.340 3.554 20 0 CHADMN COc1ccc(CN(C)Cc2ccnc(C)c2)cc1Cl ZINC000527540892 330261366 /nfs/dbraw/zinc/26/13/66/330261366.db2.gz YBFUJFYECYOVRG-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN COc1ccc(CN(Cc2ccnc(C)c2)C2CC2)cc1 ZINC000527532058 330262379 /nfs/dbraw/zinc/26/23/79/330262379.db2.gz CXVMHZSGHRAIRK-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN Cc1cc(CN2CCc3sccc3[C@@H]2C)ccn1 ZINC000527535219 330263316 /nfs/dbraw/zinc/26/33/16/330263316.db2.gz SCLUGLMHICTDIV-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN c1ccc([C@H](NCc2n[nH]c3ccccc23)C2CCC2)nc1 ZINC000527770695 330281841 /nfs/dbraw/zinc/28/18/41/330281841.db2.gz GBBDJQMPJWBIAX-GOSISDBHSA-N 0 1 292.386 3.589 20 0 CHADMN c1ccc([C@H](NCc2[nH]nc3ccccc32)C2CCC2)nc1 ZINC000527770695 330281842 /nfs/dbraw/zinc/28/18/42/330281842.db2.gz GBBDJQMPJWBIAX-GOSISDBHSA-N 0 1 292.386 3.589 20 0 CHADMN Fc1cc2c(cc1Cl)[C@H](NCc1ccco1)CC2 ZINC000527843955 330287416 /nfs/dbraw/zinc/28/74/16/330287416.db2.gz QKGUNHIVDSWTKC-CQSZACIVSA-N 0 1 265.715 3.849 20 0 CHADMN C[C@@H](N[C@H]1CCc2cc(F)c(Cl)cc21)c1cn[nH]c1 ZINC000527874547 330291169 /nfs/dbraw/zinc/29/11/69/330291169.db2.gz FBCDTVPVCGAZPQ-CLAHSXSESA-N 0 1 279.746 3.540 20 0 CHADMN CC[C@H](N[C@@H]1CCn2ccnc21)c1cc(C)ccc1C ZINC000527901247 330293423 /nfs/dbraw/zinc/29/34/23/330293423.db2.gz FPAVEHBHNXEMRX-JKSUJKDBSA-N 0 1 269.392 3.686 20 0 CHADMN COCCC1CCN([C@@H](C)c2cc(F)ccc2F)CC1 ZINC000527937910 330293656 /nfs/dbraw/zinc/29/36/56/330293656.db2.gz WEVSZOVBLZLJAQ-LBPRGKRZSA-N 0 1 283.362 3.774 20 0 CHADMN Cc1cccc([C@H](N[C@H](C)c2nccn2C)C(C)C)c1 ZINC000527914979 330295083 /nfs/dbraw/zinc/29/50/83/330295083.db2.gz UOGVUWNXDHZGOF-GDBMZVCRSA-N 0 1 271.408 3.776 20 0 CHADMN CC[C@@H](NCc1ccccc1CC(C)C)c1nccn1C ZINC000527919723 330295569 /nfs/dbraw/zinc/29/55/69/330295569.db2.gz JTLYTKJFWKJADT-QGZVFWFLSA-N 0 1 285.435 3.860 20 0 CHADMN COCCC1CCN([C@H](C)c2ccncc2Cl)CC1 ZINC000527932386 330297358 /nfs/dbraw/zinc/29/73/58/330297358.db2.gz BZCBJGFWXXDVCS-GFCCVEGCSA-N 0 1 282.815 3.545 20 0 CHADMN C[C@@H](N[C@@H](c1ccccn1)C1CCC1)c1cccc(O)c1 ZINC000527967748 330301219 /nfs/dbraw/zinc/30/12/19/330301219.db2.gz MXVOTCKLZFNDNO-FZKQIMNGSA-N 0 1 282.387 3.979 20 0 CHADMN COCCC1CCN(c2ccnc3cc(F)ccc32)CC1 ZINC000528086188 330307399 /nfs/dbraw/zinc/30/73/99/330307399.db2.gz LGAZYMOVIFHYNP-UHFFFAOYSA-N 0 1 288.366 3.627 20 0 CHADMN Cc1cc(-c2noc([C@@H]3CCCC34CC4)n2)cc2nc[nH]c21 ZINC000528132025 330308814 /nfs/dbraw/zinc/30/88/14/330308814.db2.gz LSRUYTGFZBBUPA-LBPRGKRZSA-N 0 1 294.358 3.969 20 0 CHADMN Cc1cc(-c2noc([C@@H]3[C@H](C)[C@H]3C3CC3)n2)cc2nc[nH]c21 ZINC000528132662 330308867 /nfs/dbraw/zinc/30/88/67/330308867.db2.gz OBGBVVGFAUWNQY-BIGNPOOSSA-N 0 1 294.358 3.681 20 0 CHADMN CC(C)n1cncc1CNCc1ccc2sccc2c1 ZINC000424168071 330309986 /nfs/dbraw/zinc/30/99/86/330309986.db2.gz FSBWAFZSGLQJAV-UHFFFAOYSA-N 0 1 285.416 3.969 20 0 CHADMN CC[C@@H](Nc1ncnc2[nH]cnc21)c1cc(C)ccc1C ZINC000528223541 330315800 /nfs/dbraw/zinc/31/58/00/330315800.db2.gz QCKIYNUOCKPJQD-CYBMUJFWSA-N 0 1 281.363 3.533 20 0 CHADMN COc1ccc([C@H]2CCCN2C/C=C(/C)Cl)cc1OC ZINC000528340163 330319651 /nfs/dbraw/zinc/31/96/51/330319651.db2.gz JLXUQRMUWGDCST-ICDLMJIXSA-N 0 1 295.810 3.983 20 0 CHADMN c1csc(-c2nc(CN[C@H]3CC34CC4)cs2)c1 ZINC000424183607 330320161 /nfs/dbraw/zinc/32/01/61/330320161.db2.gz KBJRMEWUUWEGHB-NSHDSACASA-N 0 1 262.403 3.514 20 0 CHADMN CSCc1ccc(CNCc2cncn2C(C)C)cc1 ZINC000424184602 330320165 /nfs/dbraw/zinc/32/01/65/330320165.db2.gz YDFVNZYGTFMJRJ-UHFFFAOYSA-N 0 1 289.448 3.617 20 0 CHADMN Cc1ccccc1CN(Cc1cc(CO)ccc1F)C1CC1 ZINC000528361434 330322395 /nfs/dbraw/zinc/32/23/95/330322395.db2.gz ZONQIHFZZKKCKX-UHFFFAOYSA-N 0 1 299.389 3.791 20 0 CHADMN CCCN(CC)Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000533002034 330325029 /nfs/dbraw/zinc/32/50/29/330325029.db2.gz FYILEJFBRHSXKV-UHFFFAOYSA-N 0 1 288.391 3.972 20 0 CHADMN Cc1cc(C(=O)CN(CC2CC2)C(C)C)c(C)n1C1CC1 ZINC000533036872 330325837 /nfs/dbraw/zinc/32/58/37/330325837.db2.gz NWZBNOFFTQXWQD-UHFFFAOYSA-N 0 1 288.435 3.743 20 0 CHADMN CCCCN(CCCC)Cc1nc(C(C)C)no1 ZINC000044744310 330331581 /nfs/dbraw/zinc/33/15/81/330331581.db2.gz OSQAVOJAVGVYDP-UHFFFAOYSA-N 0 1 253.390 3.595 20 0 CHADMN CC(C)CCOCCN[C@H](C)c1c(F)cccc1F ZINC000045093840 330338373 /nfs/dbraw/zinc/33/83/73/330338373.db2.gz HRIJFSAUSRWMFP-GFCCVEGCSA-N 0 1 271.351 3.678 20 0 CHADMN C[C@@H](N[C@@H]1CC12CC2)c1ccc(F)cc1Br ZINC000424334613 330343159 /nfs/dbraw/zinc/34/31/59/330343159.db2.gz YWJQLGVCLGXGDZ-PRHODGIISA-N 0 1 284.172 3.791 20 0 CHADMN CC(C)(Cc1ccccc1)c1nc(C2(N)CCCCC2)no1 ZINC000424338473 330343781 /nfs/dbraw/zinc/34/37/81/330343781.db2.gz AHGFOGIYSBXVFT-UHFFFAOYSA-N 0 1 299.418 3.708 20 0 CHADMN CC(C)(C)CCCc1nc(C2(N)CCCCC2)no1 ZINC000424339157 330343877 /nfs/dbraw/zinc/34/38/77/330343877.db2.gz BVRPXSUZYBXRIX-UHFFFAOYSA-N 0 1 265.401 3.557 20 0 CHADMN COc1ccnc(CN(C)[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000106933397 330345785 /nfs/dbraw/zinc/34/57/85/330345785.db2.gz YCSOPPLSGHOUIM-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN COCCCCCN(C)Cc1ccc(F)cc1Cl ZINC000107372630 330348101 /nfs/dbraw/zinc/34/81/01/330348101.db2.gz LDJKNEBGBHTDMX-UHFFFAOYSA-N 0 1 273.779 3.728 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)s2)[C@H]1C(=O)[O-] ZINC000424414650 330350601 /nfs/dbraw/zinc/35/06/01/330350601.db2.gz HMTILFHILFLEEV-SMDDNHRTSA-N 0 1 295.448 3.731 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC000533203041 330353315 /nfs/dbraw/zinc/35/33/15/330353315.db2.gz GDLMPQWHZSPKQN-QGZVFWFLSA-N 0 1 287.403 3.641 20 0 CHADMN Cc1ccc(CN[C@@H]2CSc3ccccc32)s1 ZINC000083748792 330359128 /nfs/dbraw/zinc/35/91/28/330359128.db2.gz XUHZQSVAUUJGKM-CYBMUJFWSA-N 0 1 261.415 3.993 20 0 CHADMN Cc1c([C@@H](C)N[C@H](C)c2ccc(Cl)c(F)c2)cnn1C ZINC000212728917 330367112 /nfs/dbraw/zinc/36/71/12/330367112.db2.gz UMKQOMSGINOENJ-NXEZZACHSA-N 0 1 295.789 3.933 20 0 CHADMN Cc1c([C@H](C)N[C@H](C)c2ccc(Cl)c(F)c2)cnn1C ZINC000212728975 330367123 /nfs/dbraw/zinc/36/71/23/330367123.db2.gz UMKQOMSGINOENJ-ZJUUUORDSA-N 0 1 295.789 3.933 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)o1 ZINC000086279407 330369169 /nfs/dbraw/zinc/36/91/69/330369169.db2.gz SRVDICYGWMMSHB-AWEZNQCLSA-N 0 1 295.386 3.933 20 0 CHADMN CCCN(Cc1ccccc1)C(=O)c1c(O)cccc1F ZINC000119038352 330369472 /nfs/dbraw/zinc/36/94/72/330369472.db2.gz HENQKEDZIXCIMX-UHFFFAOYSA-N 0 1 287.334 3.584 20 0 CHADMN Cc1ncsc1CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000088255111 330375077 /nfs/dbraw/zinc/37/50/77/330375077.db2.gz MIFMEXXVUFECRX-JTQLQIEISA-N 0 1 264.369 3.750 20 0 CHADMN CC(C)(C)[C@H]1CCCC[C@H]1NCc1nnsc1Cl ZINC000119468502 330375602 /nfs/dbraw/zinc/37/56/02/330375602.db2.gz ADPCIVKJTSSTIM-VHSXEESVSA-N 0 1 287.860 3.886 20 0 CHADMN C[C@@H](c1nc2ccccc2s1)N(C)CCc1ccccn1 ZINC000057677425 330378227 /nfs/dbraw/zinc/37/82/27/330378227.db2.gz XEOBYCARKWWUJY-ZDUSSCGKSA-N 0 1 297.427 3.927 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccncc2Cl)cc1 ZINC000088781315 330378657 /nfs/dbraw/zinc/37/86/57/330378657.db2.gz HKWIFWQCIJXJOT-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN CC(C)(C)CN(CCCO)Cc1nc(C(C)(C)C)cs1 ZINC000120706574 330391698 /nfs/dbraw/zinc/39/16/98/330391698.db2.gz LMRYIVHPBLBBMF-UHFFFAOYSA-N 0 1 298.496 3.671 20 0 CHADMN CC[C@H]1CCCC[C@@H]1N(C)Cc1nnc(C(C)C)o1 ZINC000120839666 330392877 /nfs/dbraw/zinc/39/28/77/330392877.db2.gz XEPBANFHJNSLTR-STQMWFEESA-N 0 1 265.401 3.594 20 0 CHADMN CCO[C@H](C)c1noc(CN(C)[C@H]2CCCC[C@H]2CC)n1 ZINC000120905241 330394039 /nfs/dbraw/zinc/39/40/39/330394039.db2.gz USFYUXNPBSPQLU-MCIONIFRSA-N 0 1 295.427 3.568 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(-n3ccnn3)cc2)o1 ZINC000090879268 330396524 /nfs/dbraw/zinc/39/65/24/330396524.db2.gz BXKQXEYHVRBMGP-ZIAGYGMSSA-N 0 1 296.374 3.581 20 0 CHADMN CCSc1ccccc1[C@@H](C)NCc1cnn(C)c1C ZINC000090887714 330397021 /nfs/dbraw/zinc/39/70/21/330397021.db2.gz WUHSWOPYYVKGSI-GFCCVEGCSA-N 0 1 289.448 3.691 20 0 CHADMN Cc1cnc(CN[C@@H](c2ccccc2)C2CC2)s1 ZINC000091348599 330400472 /nfs/dbraw/zinc/40/04/72/330400472.db2.gz BMISDFFEDXQUIK-HNNXBMFYSA-N 0 1 258.390 3.692 20 0 CHADMN CC[C@H](CNC1(c2noc(C)n2)CCCC1)c1ccccc1 ZINC000537300624 330431861 /nfs/dbraw/zinc/43/18/61/330431861.db2.gz SNJGOTFULASQHO-OAHLLOKOSA-N 0 1 299.418 3.931 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)N1C[C@@H](C)S[C@H](C)C1 ZINC000537589249 330444378 /nfs/dbraw/zinc/44/43/78/330444378.db2.gz CBCWBIAFGVMUBC-UTUOFQBUSA-N 0 1 276.405 3.715 20 0 CHADMN [O-]c1cccc(C[NH2+]C2CCCCC2)c1Br ZINC000314966460 330469456 /nfs/dbraw/zinc/46/94/56/330469456.db2.gz BJDSZDZKIJRING-UHFFFAOYSA-N 0 1 284.197 3.577 20 0 CHADMN CC(C)c1ccoc1-c1noc(CN2[C@H](C)CC[C@H]2C)n1 ZINC000426239854 330502234 /nfs/dbraw/zinc/50/22/34/330502234.db2.gz PZDNFFKFXYHUKC-VXGBXAGGSA-N 0 1 289.379 3.826 20 0 CHADMN CCc1ccc(CN[C@@H](c2ccccc2)C(C)(C)CO)o1 ZINC000428469122 330526096 /nfs/dbraw/zinc/52/60/96/330526096.db2.gz IPRKXIUHNHEBHI-KRWDZBQOSA-N 0 1 287.403 3.691 20 0 CHADMN c1cn(-c2ccccc2)nc1CN(C1CCC1)C1CCC1 ZINC000429189385 330539781 /nfs/dbraw/zinc/53/97/81/330539781.db2.gz KHMVZYPTDWYSQN-UHFFFAOYSA-N 0 1 281.403 3.779 20 0 CHADMN CCOC(=O)C(CC)(CC)NC[C@@H]1CCCC(F)(F)C1 ZINC000429274833 330541674 /nfs/dbraw/zinc/54/16/74/330541674.db2.gz ALBWBJOYFLAWPZ-GFCCVEGCSA-N 0 1 291.382 3.523 20 0 CHADMN C[C@@H](NCc1ccc(Cl)cc1)c1cncc(F)c1 ZINC000152930669 330637896 /nfs/dbraw/zinc/63/78/96/330637896.db2.gz GCWUXZAETUSCDI-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN Fc1cccc2[nH]c(CN[C@@H]3COc4ccccc43)cc21 ZINC000436233475 330671262 /nfs/dbraw/zinc/67/12/62/330671262.db2.gz SIJDCJHXFOPUJS-MRXNPFEDSA-N 0 1 282.318 3.530 20 0 CHADMN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1ccc(O)c(Cl)c1 ZINC000436637133 330681968 /nfs/dbraw/zinc/68/19/68/330681968.db2.gz YWALOAIAQVDDDX-TZMCWYRMSA-N 0 1 293.794 3.744 20 0 CHADMN FCCNCc1cccc(OCCCc2ccccc2)c1 ZINC000437256936 330696172 /nfs/dbraw/zinc/69/61/72/330696172.db2.gz MYGNQTOMRUIYQD-UHFFFAOYSA-N 0 1 287.378 3.757 20 0 CHADMN Cc1sc(NC(=N)N)nc1-c1ccc(C(C)C)cc1 ZINC000437652520 330706016 /nfs/dbraw/zinc/70/60/16/330706016.db2.gz IDINHZFSPBFGMS-UHFFFAOYSA-N 0 1 274.393 3.547 20 0 CHADMN C[C@@H](c1cccc(Br)c1)N1CCCCC1 ZINC000156342968 330729855 /nfs/dbraw/zinc/72/98/55/330729855.db2.gz UIZGFNBTVMFBBS-NSHDSACASA-N 0 1 268.198 3.996 20 0 CHADMN CC[C@@H](F)CN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000440532458 330750247 /nfs/dbraw/zinc/75/02/47/330750247.db2.gz OSNHWOUJTMQTRV-DGCLKSJQSA-N 0 1 293.361 3.719 20 0 CHADMN CCC1CCN(Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000445801308 330837360 /nfs/dbraw/zinc/83/73/60/330837360.db2.gz FOWYRQUTYXDJEQ-UHFFFAOYSA-N 0 1 287.382 3.633 20 0 CHADMN CCc1ccccc1CN[C@H](COC)c1ccc(F)cc1 ZINC000445810343 330837740 /nfs/dbraw/zinc/83/77/40/330837740.db2.gz YUHLXWYCXSMFIU-GOSISDBHSA-N 0 1 287.378 3.865 20 0 CHADMN COC(=O)c1coc([C@H](C)N[C@H](C)c2ccc(C)cc2)c1 ZINC000447532113 330868299 /nfs/dbraw/zinc/86/82/99/330868299.db2.gz SCFJIEANUPJFHS-OLZOCXBDSA-N 0 1 287.359 3.786 20 0 CHADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@H]2CCC[C@H]2CCC(C)C)n1 ZINC000447877104 330879117 /nfs/dbraw/zinc/87/91/17/330879117.db2.gz CPJPTVCHPBKDLQ-KKUMJFAQSA-N 0 1 291.439 3.746 20 0 CHADMN CC(C)(C)c1cnc(CNC[C@H]2CCCCS2)s1 ZINC000447895251 330879334 /nfs/dbraw/zinc/87/93/34/330879334.db2.gz AUDUMHXZKMFRFU-LLVKDONJSA-N 0 1 284.494 3.816 20 0 CHADMN Cc1cc(-c2nc(-c3ccn4cncc4c3)no2)sc1C ZINC000447954071 330881226 /nfs/dbraw/zinc/88/12/26/330881226.db2.gz KLHRZMNWBGUUPQ-UHFFFAOYSA-N 0 1 296.355 3.730 20 0 CHADMN Fc1ccc([C@@H](NCc2ccncc2F)C2CCC2)cc1 ZINC000449123389 330900346 /nfs/dbraw/zinc/90/03/46/330900346.db2.gz CFFLVIFDEJQCRZ-KRWDZBQOSA-N 0 1 288.341 3.991 20 0 CHADMN CCn1nnc(C)c1CN[C@@H]1CCC(C)(C)c2ccccc21 ZINC000449131909 330901055 /nfs/dbraw/zinc/90/10/55/330901055.db2.gz QGJLLHAPWPLGNR-MRXNPFEDSA-N 0 1 298.434 3.509 20 0 CHADMN CSc1ccc([C@@H](C)NCc2ccncc2F)cc1 ZINC000449307417 330913683 /nfs/dbraw/zinc/91/36/83/330913683.db2.gz ZPBRPNNUABAHKS-LLVKDONJSA-N 0 1 276.380 3.793 20 0 CHADMN C[C@@H](Cc1ccoc1)N[C@@H]1COc2cccc(Cl)c21 ZINC000449328761 330914932 /nfs/dbraw/zinc/91/49/32/330914932.db2.gz KZWHZMHJZLLWCU-GXFFZTMASA-N 0 1 277.751 3.587 20 0 CHADMN CC1(F)CC(NCc2csc(-c3cccs3)n2)C1 ZINC000449370119 330919469 /nfs/dbraw/zinc/91/94/69/330919469.db2.gz INJBRUWVEOYLDM-UHFFFAOYSA-N 0 1 282.409 3.852 20 0 CHADMN FCC(CF)N[C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000449380202 330921007 /nfs/dbraw/zinc/92/10/07/330921007.db2.gz MCSQPICIGDCARP-SWLSCSKDSA-N 0 1 287.781 3.948 20 0 CHADMN FCC1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000449450441 330926852 /nfs/dbraw/zinc/92/68/52/330926852.db2.gz BKBOGJOORHEAHK-UHFFFAOYSA-N 0 1 294.389 3.607 20 0 CHADMN CC(C)(c1ccc(F)cc1)C1(NCc2cscn2)CC1 ZINC000449694302 330944101 /nfs/dbraw/zinc/94/41/01/330944101.db2.gz GOCMDSOPJHPQOM-UHFFFAOYSA-N 0 1 290.407 3.882 20 0 CHADMN Cc1nccc(N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1Cl ZINC000450674921 330992820 /nfs/dbraw/zinc/99/28/20/330992820.db2.gz CLVHVZVCWPGBEJ-UMVBOHGHSA-N 0 1 294.826 3.563 20 0 CHADMN Cc1ccsc1[C@H](CO)NCc1c(C)cccc1Cl ZINC000450763366 330998809 /nfs/dbraw/zinc/99/88/09/330998809.db2.gz OZVKVUKTPMOUCG-AWEZNQCLSA-N 0 1 295.835 3.842 20 0 CHADMN CC[C@H](Nc1ccnc2cc(C(F)(F)F)ccc21)[C@H](C)O ZINC000450802785 331000335 /nfs/dbraw/zinc/00/03/35/331000335.db2.gz VOUXVTDJSYDHFV-CABZTGNLSA-N 0 1 298.308 3.825 20 0 CHADMN CCCCO[C@H]1C[C@@H](NCc2nccn2C(C)C)C1(C)C ZINC000450968454 331009209 /nfs/dbraw/zinc/00/92/09/331009209.db2.gz KFGOPCZFEWHGCI-CABCVRRESA-N 0 1 293.455 3.537 20 0 CHADMN C[C@@H](NCC1=CCCCC1)c1c(F)cncc1F ZINC000450988508 331010400 /nfs/dbraw/zinc/01/04/00/331010400.db2.gz BKTVUNUEAWWGEA-SNVBAGLBSA-N 0 1 252.308 3.511 20 0 CHADMN Cc1noc([C@@H]2CCCN2CC/C=C\c2ccccc2)n1 ZINC000451008206 331011605 /nfs/dbraw/zinc/01/16/05/331011605.db2.gz LPAQTBXUFHDYFV-AVFOEOQDSA-N 0 1 283.375 3.618 20 0 CHADMN Cc1ccc2[nH]c([C@@H]3CCCN3C[C@@H]3CC[C@H](C)O3)nc2c1 ZINC000451020459 331012061 /nfs/dbraw/zinc/01/20/61/331012061.db2.gz ZYHZSFUSXVLDLP-ZQIUZPCESA-N 0 1 299.418 3.576 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C[C@@H]3CC[C@H](C)O3)[nH]c2c1 ZINC000451020459 331012062 /nfs/dbraw/zinc/01/20/62/331012062.db2.gz ZYHZSFUSXVLDLP-ZQIUZPCESA-N 0 1 299.418 3.576 20 0 CHADMN CC[C@@H](F)CN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451020451 331012173 /nfs/dbraw/zinc/01/21/73/331012173.db2.gz ZXAZSNWKMYOZIE-IUODEOHRSA-N 0 1 275.371 3.756 20 0 CHADMN Cc1cnc([C@@H](C)N(C)CCc2ccccc2C)o1 ZINC000451165395 331018470 /nfs/dbraw/zinc/01/84/70/331018470.db2.gz KQMUAKXZWAJVSU-CQSZACIVSA-N 0 1 258.365 3.527 20 0 CHADMN COC[C@@]1(C)CC[N@H+]([C@H](C)c2cccc(Cl)c2F)C1 ZINC000451203341 331020463 /nfs/dbraw/zinc/02/04/63/331020463.db2.gz PUJDIIOBDXDDHN-ABAIWWIYSA-N 0 1 285.790 3.899 20 0 CHADMN COC[C@@]1(C)CCN([C@H](C)c2cccc(Cl)c2F)C1 ZINC000451203341 331020464 /nfs/dbraw/zinc/02/04/64/331020464.db2.gz PUJDIIOBDXDDHN-ABAIWWIYSA-N 0 1 285.790 3.899 20 0 CHADMN CS[C@H]1CCN([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000451321321 331024342 /nfs/dbraw/zinc/02/43/42/331024342.db2.gz CMYKHXDZCSTIBX-UWVGGRQHSA-N 0 1 273.804 3.977 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@]1(C)CCC[C@@H]1C ZINC000451335808 331024777 /nfs/dbraw/zinc/02/47/77/331024777.db2.gz DMBBNHKPUCSLRI-ZBEGNZNMSA-N 0 1 271.364 3.636 20 0 CHADMN CN(CCSc1ccc(Cl)cc1)Cc1ccccn1 ZINC000451369189 331026091 /nfs/dbraw/zinc/02/60/91/331026091.db2.gz AQUNJTWTYSCWKN-UHFFFAOYSA-N 0 1 292.835 3.959 20 0 CHADMN CC(C)CC[C@H](O)CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451843121 331044506 /nfs/dbraw/zinc/04/45/06/331044506.db2.gz FZOAJCNYVAGMPB-GOEBONIOSA-N 0 1 277.408 3.604 20 0 CHADMN CC1(C)CC[C@H](CN2CC3(CCC3)[C@H]2c2ccco2)O1 ZINC000451849301 331044773 /nfs/dbraw/zinc/04/47/73/331044773.db2.gz HGRRYDKLZBHADX-UKRRQHHQSA-N 0 1 275.392 3.764 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H]2CCC[C@H]2CC)c1 ZINC000451900273 331046745 /nfs/dbraw/zinc/04/67/45/331046745.db2.gz ZSNHAOSRNKQHAL-DGCLKSJQSA-N 0 1 289.375 3.750 20 0 CHADMN C[C@H](NCc1ncc(C(C)(C)C)o1)C1CCCC1 ZINC000451981608 331049396 /nfs/dbraw/zinc/04/93/96/331049396.db2.gz GDUDDZLGMLPMOM-NSHDSACASA-N 0 1 250.386 3.640 20 0 CHADMN C[C@@H]1CCC(C)(C)N1Cc1cc(C(C)(C)C)on1 ZINC000452007460 331050254 /nfs/dbraw/zinc/05/02/54/331050254.db2.gz NGLXZZBRBMFUIZ-LLVKDONJSA-N 0 1 250.386 3.735 20 0 CHADMN C[C@H](NCc1ncc(C2CC2)o1)[C@H]1CCC[C@H](C)C1 ZINC000452063125 331052641 /nfs/dbraw/zinc/05/26/41/331052641.db2.gz VNUQHMHLRFRQMD-OBJOEFQTSA-N 0 1 262.397 3.856 20 0 CHADMN C[C@H](NCc1nc(C(C)(C)C)no1)[C@@H]1CCC[C@H](C)C1 ZINC000452072042 331052992 /nfs/dbraw/zinc/05/29/92/331052992.db2.gz RYTMELBCQVFZEK-RWMBFGLXSA-N 0 1 279.428 3.672 20 0 CHADMN CC(C)N(Cc1nc(-c2ccco2)no1)C1CC(C)(C)C1 ZINC000452106236 331054364 /nfs/dbraw/zinc/05/43/64/331054364.db2.gz PNDUQXOAONFQNE-UHFFFAOYSA-N 0 1 289.379 3.729 20 0 CHADMN CC(C)N(Cc1nc(-c2ccoc2)no1)C1CC(C)(C)C1 ZINC000452107781 331054484 /nfs/dbraw/zinc/05/44/84/331054484.db2.gz UCTJYHAJVFWKOB-UHFFFAOYSA-N 0 1 289.379 3.729 20 0 CHADMN C[C@H](NCc1ccccc1N1CCCCC1)c1ccccn1 ZINC000194886596 331070544 /nfs/dbraw/zinc/07/05/44/331070544.db2.gz XADPTBYPMDPCGX-INIZCTEOSA-N 0 1 295.430 3.923 20 0 CHADMN CCCOc1ncccc1CN[C@H](CC)c1ccncc1 ZINC000453066244 331086032 /nfs/dbraw/zinc/08/60/32/331086032.db2.gz ILASGPOTVRYSQB-MRXNPFEDSA-N 0 1 285.391 3.506 20 0 CHADMN CCCCOc1cccc(CN[C@H](C)c2ccncn2)c1 ZINC000453069634 331086411 /nfs/dbraw/zinc/08/64/11/331086411.db2.gz UDLMPIGKMVEYMX-CQSZACIVSA-N 0 1 285.391 3.506 20 0 CHADMN COc1ccc([C@@H](N[C@@H](C)c2ccncn2)C(C)C)cc1 ZINC000453082067 331087352 /nfs/dbraw/zinc/08/73/52/331087352.db2.gz KSMDROAQFWEPQI-GUYCJALGSA-N 0 1 285.391 3.533 20 0 CHADMN CCOc1ncccc1CN[C@@H](C)c1csc(C)c1 ZINC000453081793 331087386 /nfs/dbraw/zinc/08/73/86/331087386.db2.gz MCXGFQXIGFSFMR-LBPRGKRZSA-N 0 1 276.405 3.701 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccncn2)cc1C ZINC000453085390 331087727 /nfs/dbraw/zinc/08/77/27/331087727.db2.gz KAYVBFVOBQZKTA-UONOGXRCSA-N 0 1 255.365 3.505 20 0 CHADMN CC(C)C[C@H](N[C@H](C)c1ccncn1)c1cccs1 ZINC000453100584 331089132 /nfs/dbraw/zinc/08/91/32/331089132.db2.gz ZUXFJGOHMNXIRO-OCCSQVGLSA-N 0 1 275.421 3.976 20 0 CHADMN C[C@@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccncn1 ZINC000453101812 331089221 /nfs/dbraw/zinc/08/92/21/331089221.db2.gz YURHAXYHDKFVJK-BZNIZROVSA-N 0 1 287.794 3.932 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H](C)c1ccc(C)s1 ZINC000453103119 331089311 /nfs/dbraw/zinc/08/93/11/331089311.db2.gz WKRBHJMNEBFQCJ-NWDGAFQWSA-N 0 1 263.410 3.685 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H](C)c1ccc(C)s1 ZINC000453103120 331089359 /nfs/dbraw/zinc/08/93/59/331089359.db2.gz WKRBHJMNEBFQCJ-RYUDHWBXSA-N 0 1 263.410 3.685 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000453157078 331095167 /nfs/dbraw/zinc/09/51/67/331095167.db2.gz YBKUPNIDBDBTPS-VWPFQQQWSA-N 0 1 299.418 3.507 20 0 CHADMN CC[C@H](NC1(c2ccccc2F)CC1)c1ccncc1 ZINC000453167747 331096425 /nfs/dbraw/zinc/09/64/25/331096425.db2.gz QATWEKISTOTLAJ-INIZCTEOSA-N 0 1 270.351 3.951 20 0 CHADMN CCn1ccnc1[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000453185160 331098466 /nfs/dbraw/zinc/09/84/66/331098466.db2.gz XNXCMNNLLGPOOZ-INIZCTEOSA-N 0 1 297.446 3.919 20 0 CHADMN CC[C@@H](N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1)c1ccncc1 ZINC000453204182 331101111 /nfs/dbraw/zinc/10/11/11/331101111.db2.gz FQHSEDIQKNUZSN-SGMGOOAPSA-N 0 1 287.411 3.515 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H](C)c1c(C)cccc1C ZINC000453206817 331101295 /nfs/dbraw/zinc/10/12/95/331101295.db2.gz YVJXYWOQIDBDND-LSDHHAIUSA-N 0 1 271.408 3.932 20 0 CHADMN CC(C)=CCN[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453206081 331101306 /nfs/dbraw/zinc/10/13/06/331101306.db2.gz HQQXXYJCVKIOIC-AWEZNQCLSA-N 0 1 269.392 3.704 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2c(F)cccc21)c1ccn(C)n1 ZINC000453222724 331103254 /nfs/dbraw/zinc/10/32/54/331103254.db2.gz ANZYFIUBVGOACL-HZPDHXFCSA-N 0 1 287.382 3.678 20 0 CHADMN C[C@@H](N[C@H]1CCn2ccnc21)c1ccc(F)c2ccccc21 ZINC000453231147 331104450 /nfs/dbraw/zinc/10/44/50/331104450.db2.gz QBRNUFRCZPUFMX-PXAZEXFGSA-N 0 1 295.361 3.971 20 0 CHADMN C[C@H](N[C@H]1CCn2ccnc21)c1ccc(F)c2ccccc21 ZINC000453231148 331104493 /nfs/dbraw/zinc/10/44/93/331104493.db2.gz QBRNUFRCZPUFMX-SJCJKPOMSA-N 0 1 295.361 3.971 20 0 CHADMN COC1(CN[C@H](C)c2csc(C(C)C)n2)CCCC1 ZINC000453234911 331105006 /nfs/dbraw/zinc/10/50/06/331105006.db2.gz XLUGIHQFAMCXGO-GFCCVEGCSA-N 0 1 282.453 3.876 20 0 CHADMN C[C@@H](NC1CC(C)(F)C1)c1nc(C(F)(F)F)cs1 ZINC000453238581 331105557 /nfs/dbraw/zinc/10/55/57/331105557.db2.gz OIPTXYDQIZEGTF-AFKSGGFBSA-N 0 1 282.306 3.703 20 0 CHADMN CCCCc1ccc([C@@H](C)NCc2ccnc(OC)n2)cc1 ZINC000453244321 331106716 /nfs/dbraw/zinc/10/67/16/331106716.db2.gz HETZWYZHGSXSEA-CQSZACIVSA-N 0 1 299.418 3.679 20 0 CHADMN Cc1ccc([C@@H](NCc2ccnc(C)c2)C2CCC2)o1 ZINC000453301545 331113169 /nfs/dbraw/zinc/11/31/69/331113169.db2.gz YZMDVOAXPKQECC-KRWDZBQOSA-N 0 1 270.376 3.922 20 0 CHADMN Cc1ccc([C@@H](NCc2cnccc2C)C2CCC2)o1 ZINC000453319592 331116043 /nfs/dbraw/zinc/11/60/43/331116043.db2.gz DJJZLTJWTPTEQR-KRWDZBQOSA-N 0 1 270.376 3.922 20 0 CHADMN C[C@@H](NCc1nn(C)cc1Cl)C(C)(C)c1ccccc1 ZINC000453320640 331116188 /nfs/dbraw/zinc/11/61/88/331116188.db2.gz MOQIDSNTWRQLAY-GFCCVEGCSA-N 0 1 291.826 3.529 20 0 CHADMN C[C@H](c1csc(Cl)c1)N1CCC[C@]2(CCOC2)C1 ZINC000453349033 331120345 /nfs/dbraw/zinc/12/03/45/331120345.db2.gz GKTNZONQQBDUGY-RISCZKNCSA-N 0 1 285.840 3.965 20 0 CHADMN C[C@H](c1csc(Cl)c1)N1CCC[C@@]2(CCOC2)C1 ZINC000453349027 331120438 /nfs/dbraw/zinc/12/04/38/331120438.db2.gz GKTNZONQQBDUGY-BXUZGUMPSA-N 0 1 285.840 3.965 20 0 CHADMN CCC[C@H](NCc1cnc(CC)o1)c1ccccc1 ZINC000453349874 331120513 /nfs/dbraw/zinc/12/05/13/331120513.db2.gz FXBOHGDQMXZYQS-HNNXBMFYSA-N 0 1 258.365 3.868 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1cnc(C3CC3)o1)CCC2 ZINC000453370529 331123973 /nfs/dbraw/zinc/12/39/73/331123973.db2.gz UEXZBJBIQLXNNB-QGZVFWFLSA-N 0 1 298.386 3.728 20 0 CHADMN C[C@H](c1cc(F)c(F)c(F)c1)N1CCC[C@@]2(CCOC2)C1 ZINC000453371020 331124175 /nfs/dbraw/zinc/12/41/75/331124175.db2.gz NPQBSMMYIKWFEH-BDJLRTHQSA-N 0 1 299.336 3.667 20 0 CHADMN CCO[C@@H]1CCC[C@H]1N[C@H](C)c1csc(C(C)C)n1 ZINC000453386207 331126566 /nfs/dbraw/zinc/12/65/66/331126566.db2.gz BEIKOUTZJQXMOX-YRGRVCCFSA-N 0 1 282.453 3.875 20 0 CHADMN CCCc1ncc(CN[C@@H]2c3ccccc3C[C@@H]2C)o1 ZINC000453389923 331127209 /nfs/dbraw/zinc/12/72/09/331127209.db2.gz PXTGVMSZBIKEME-SJCJKPOMSA-N 0 1 270.376 3.650 20 0 CHADMN CCc1ncc(CN[C@@H]2C[C@H](C)c3c2cccc3C)o1 ZINC000453394163 331127791 /nfs/dbraw/zinc/12/77/91/331127791.db2.gz SDYSUZYHLBCRBV-SWLSCSKDSA-N 0 1 270.376 3.884 20 0 CHADMN CCc1ncc(CN[C@@H]2CCCCc3ccccc32)o1 ZINC000453399480 331128478 /nfs/dbraw/zinc/12/84/78/331128478.db2.gz XRKKZYNWKVBJLX-MRXNPFEDSA-N 0 1 270.376 3.794 20 0 CHADMN CCC(C)(C)OCCN[C@@H](C)c1ccc(Cl)cn1 ZINC000453409413 331129702 /nfs/dbraw/zinc/12/97/02/331129702.db2.gz ONSGZAYLSLXPMS-NSHDSACASA-N 0 1 270.804 3.591 20 0 CHADMN CCC1(CNc2ccc3cnccc3c2)CCOCC1 ZINC000453597591 331135609 /nfs/dbraw/zinc/13/56/09/331135609.db2.gz CMUZSDYGNFGWBB-UHFFFAOYSA-N 0 1 270.376 3.854 20 0 CHADMN CCC1CN(Cc2cnc(C3CCCC3)s2)C1 ZINC000453607309 331136225 /nfs/dbraw/zinc/13/62/25/331136225.db2.gz SDOFYURSDZRUKN-UHFFFAOYSA-N 0 1 250.411 3.643 20 0 CHADMN COC1(C[C@H](C)Nc2ccc3cnccc3c2)CCC1 ZINC000453611499 331136445 /nfs/dbraw/zinc/13/64/45/331136445.db2.gz IXXBPMWZSWMHSE-ZDUSSCGKSA-N 0 1 270.376 3.994 20 0 CHADMN Cc1c(CN2CC3(CCCC3)[C@@H]2c2ccccc2)cnn1C ZINC000453622420 331136983 /nfs/dbraw/zinc/13/69/83/331136983.db2.gz WTYSPGTZVAIARJ-SFHVURJKSA-N 0 1 295.430 3.846 20 0 CHADMN C[C@H]1CC[C@H](CNCc2csc(-c3ccsc3)n2)O1 ZINC000453636289 331137284 /nfs/dbraw/zinc/13/72/84/331137284.db2.gz WMFFGCXHPJMJEC-GXFFZTMASA-N 0 1 294.445 3.529 20 0 CHADMN C[C@H]1CC[C@H](CNCc2ccc(Oc3ccccc3)o2)O1 ZINC000453638191 331137443 /nfs/dbraw/zinc/13/74/43/331137443.db2.gz ZRTWUWPHUCISBA-DZGCQCFKSA-N 0 1 287.359 3.729 20 0 CHADMN CCOc1ncccc1CNCc1ccc(C)c(Cl)c1 ZINC000195437003 331173427 /nfs/dbraw/zinc/17/34/27/331173427.db2.gz YRMGPDSEMMSJEB-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN CC1(C)CC=C(C(=O)Nc2cccc(-c3nnc[nH]3)c2)CC1 ZINC000455651079 331174867 /nfs/dbraw/zinc/17/48/67/331174867.db2.gz VXWIBQXNTWQVSR-UHFFFAOYSA-N 0 1 296.374 3.547 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N(C)Cc1ccc(C)c(C)c1 ZINC000456966780 331209286 /nfs/dbraw/zinc/20/92/86/331209286.db2.gz SGYRWTRSPLEOMT-UHFFFAOYSA-N 0 1 299.418 3.731 20 0 CHADMN Cc1ccc2nc(CNC(=O)C3CC(C(C)(C)C)C3)[nH]c2c1 ZINC000457597733 331228330 /nfs/dbraw/zinc/22/83/30/331228330.db2.gz KEKZJQLPBMURNP-UHFFFAOYSA-N 0 1 299.418 3.560 20 0 CHADMN Cc1cccc2nc(CNC(=O)CCCCC(C)C)[nH]c21 ZINC000457689186 331231290 /nfs/dbraw/zinc/23/12/90/331231290.db2.gz LQVROBOWURKIKL-UHFFFAOYSA-N 0 1 287.407 3.704 20 0 CHADMN CC(C)OC1CC(N(C)Cc2nc3ccccc3s2)C1 ZINC000459300069 331275283 /nfs/dbraw/zinc/27/52/83/331275283.db2.gz CBOBOQORIVEWCO-UHFFFAOYSA-N 0 1 290.432 3.684 20 0 CHADMN Cc1cc(F)c(CN(C)CC2CCOCC2)c(Cl)c1 ZINC000459344256 331277044 /nfs/dbraw/zinc/27/70/44/331277044.db2.gz ICSMNELQNSREAY-UHFFFAOYSA-N 0 1 285.790 3.646 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1cnc(C2CC2)nc1 ZINC000459370562 331278722 /nfs/dbraw/zinc/27/87/22/331278722.db2.gz PDSMJEQOZOYRCX-CYBMUJFWSA-N 0 1 267.376 3.513 20 0 CHADMN Cc1ccc([C@H](C)NCc2cnc(C3CC3)nc2)cc1 ZINC000459383140 331279251 /nfs/dbraw/zinc/27/92/51/331279251.db2.gz FKDIUWAWBWBSSN-ZDUSSCGKSA-N 0 1 267.376 3.513 20 0 CHADMN Clc1cnn(CCN2CCCCC[C@H]2c2ccco2)c1 ZINC000459380916 331279332 /nfs/dbraw/zinc/27/93/32/331279332.db2.gz UJIPRWIDAYGRTI-AWEZNQCLSA-N 0 1 293.798 3.747 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnc(C3CC3)nc2)c(C)s1 ZINC000459397631 331279941 /nfs/dbraw/zinc/27/99/41/331279941.db2.gz XSPDDVCVZTYBKV-LLVKDONJSA-N 0 1 287.432 3.883 20 0 CHADMN Cc1cc(CN[C@H]2C[C@H](c3ccc(Cl)cc3)C2)no1 ZINC000459516583 331285585 /nfs/dbraw/zinc/28/55/85/331285585.db2.gz BZWNMDOTYDFIBY-MQMHXKEQSA-N 0 1 276.767 3.672 20 0 CHADMN CC(C)OC1CC(N2CC3(CCC3)[C@H]2c2ccco2)C1 ZINC000459517175 331285680 /nfs/dbraw/zinc/28/56/80/331285680.db2.gz QNKJTXRNYKAIQM-ZBCRRDGASA-N 0 1 275.392 3.763 20 0 CHADMN Oc1cccc(CN2CCCC23CCC3)c1Br ZINC000459523612 331285923 /nfs/dbraw/zinc/28/59/23/331285923.db2.gz SVXZZKGHVUVKEO-UHFFFAOYSA-N 0 1 296.208 3.673 20 0 CHADMN c1ccc(C2=CCCN(Cc3cnc(C4CC4)nc3)C2)cc1 ZINC000459529576 331286018 /nfs/dbraw/zinc/28/60/18/331286018.db2.gz RYLWGHFQTPJWIQ-UHFFFAOYSA-N 0 1 291.398 3.643 20 0 CHADMN Cc1cc(CNC2(C(C)(C)c3ccccc3)CC2)no1 ZINC000459560018 331287836 /nfs/dbraw/zinc/28/78/36/331287836.db2.gz KDEIUNTWXZSIOO-UHFFFAOYSA-N 0 1 270.376 3.583 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CC2(C1)CCCCC2 ZINC000459575297 331288841 /nfs/dbraw/zinc/28/88/41/331288841.db2.gz BVTRXJRGVISXQZ-UHFFFAOYSA-N 0 1 261.413 3.539 20 0 CHADMN c1[nH]c(-c2ccccc2)nc1CN1CC(C2CCCC2)C1 ZINC000459610764 331290640 /nfs/dbraw/zinc/29/06/40/331290640.db2.gz KQWWNOJZKNWWIE-UHFFFAOYSA-N 0 1 281.403 3.699 20 0 CHADMN Fc1cccc(Cl)c1CCCN1CC2(C1)CCOCC2 ZINC000459621841 331290920 /nfs/dbraw/zinc/29/09/20/331290920.db2.gz PMWKDXOWRRTHSW-UHFFFAOYSA-N 0 1 297.801 3.524 20 0 CHADMN Cc1ccc(CN2CC(Cc3ccc(F)c(F)c3)C2)o1 ZINC000459631397 331291169 /nfs/dbraw/zinc/29/11/69/331291169.db2.gz QMZNVTQGKDFWBU-UHFFFAOYSA-N 0 1 277.314 3.541 20 0 CHADMN COCCC1(C)CN(Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000459629919 331291191 /nfs/dbraw/zinc/29/11/91/331291191.db2.gz GDQYBWHCLDFAPK-UHFFFAOYSA-N 0 1 286.419 3.643 20 0 CHADMN COCCC1(C)CN(Cc2cc3ccccc3cc2OC)C1 ZINC000459636853 331291606 /nfs/dbraw/zinc/29/16/06/331291606.db2.gz RJANXPOUPSAPRU-UHFFFAOYSA-N 0 1 299.414 3.707 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1ccc2c[nH]nc2c1 ZINC000459651475 331292267 /nfs/dbraw/zinc/29/22/67/331292267.db2.gz QFYVNDPROUOMSG-ZDUSSCGKSA-N 0 1 295.386 3.731 20 0 CHADMN CCCc1noc(CN(C)[C@H]2CCC[C@H]2c2ccccc2)n1 ZINC000459682461 331294189 /nfs/dbraw/zinc/29/41/89/331294189.db2.gz YRZQBCHTBVURAX-HOTGVXAUSA-N 0 1 299.418 3.790 20 0 CHADMN Cc1ccnc(CN(C)[C@H]2CCC[C@H]2c2ccccc2)n1 ZINC000459702532 331295117 /nfs/dbraw/zinc/29/51/17/331295117.db2.gz NTJXQSARNCXLFY-IRXDYDNUSA-N 0 1 281.403 3.553 20 0 CHADMN Cn1cc(CN2CC3(CCCCC3)[C@@H]2c2ccccc2)cn1 ZINC000459715208 331295440 /nfs/dbraw/zinc/29/54/40/331295440.db2.gz OZQWKLUACNEQEI-SFHVURJKSA-N 0 1 295.430 3.928 20 0 CHADMN Cc1cnc(CN(C)[C@@H]2CCC[C@H]2c2ccccc2)nc1 ZINC000459717754 331295667 /nfs/dbraw/zinc/29/56/67/331295667.db2.gz XBWDXPLBHMLCND-DLBZAZTESA-N 0 1 281.403 3.553 20 0 CHADMN CN(Cc1csc(-c2ccccn2)n1)C1CC(C)(C)C1 ZINC000459731195 331296558 /nfs/dbraw/zinc/29/65/58/331296558.db2.gz KUYQNAWNNSLWQD-UHFFFAOYSA-N 0 1 287.432 3.826 20 0 CHADMN CCC1(c2ccccc2)CN(Cc2cccc(O)c2OC)C1 ZINC000459737073 331296987 /nfs/dbraw/zinc/29/69/87/331296987.db2.gz AQCRQFIKJGBAOS-UHFFFAOYSA-N 0 1 297.398 3.564 20 0 CHADMN CC(C)n1ccc(CN(C)[C@H](C)Cc2cccc(F)c2)n1 ZINC000459750876 331298342 /nfs/dbraw/zinc/29/83/42/331298342.db2.gz ANSSYJQJHVJKHO-CQSZACIVSA-N 0 1 289.398 3.666 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ncc(C(C)(C)C)o1 ZINC000459765139 331299305 /nfs/dbraw/zinc/29/93/05/331299305.db2.gz DCMJAAROTKJJFI-QNWHQSFQSA-N 0 1 262.397 3.811 20 0 CHADMN C[C@H](NCc1cnc(N(C)C)s1)c1ccc(Cl)cc1 ZINC000459766161 331299400 /nfs/dbraw/zinc/29/94/00/331299400.db2.gz PARCLBDZGQDXCL-JTQLQIEISA-N 0 1 295.839 3.713 20 0 CHADMN O[C@@H]1CCN(Cc2ccsc2Cl)C[C@H]1C1CCCC1 ZINC000459767285 331299544 /nfs/dbraw/zinc/29/95/44/331299544.db2.gz PIXRZXFTFMKMIO-UONOGXRCSA-N 0 1 299.867 3.775 20 0 CHADMN CCC[C@@H](NCc1noc(-c2ccccc2)n1)C1CCC1 ZINC000459787111 331300851 /nfs/dbraw/zinc/30/08/51/331300851.db2.gz DJRXIVBCNITBKU-OAHLLOKOSA-N 0 1 285.391 3.795 20 0 CHADMN CCC[C@H](NCc1noc(-c2ccsc2)n1)C1CCC1 ZINC000459786133 331300989 /nfs/dbraw/zinc/30/09/89/331300989.db2.gz CYXUIDHXVLJKNZ-ZDUSSCGKSA-N 0 1 291.420 3.857 20 0 CHADMN CCC[C@H](N[C@H](C)c1nc(C(C)(C)C)no1)C1CCC1 ZINC000459791034 331301063 /nfs/dbraw/zinc/30/10/63/331301063.db2.gz HADFNDOJHOXEPV-YPMHNXCESA-N 0 1 279.428 3.987 20 0 CHADMN c1ccc(Oc2cccnc2)c(CN2C[C@@H]3C[C@H]2CS3)c1 ZINC000459792118 331301214 /nfs/dbraw/zinc/30/12/14/331301214.db2.gz IRKIPRGZGLTMMY-HOCLYGCPSA-N 0 1 298.411 3.564 20 0 CHADMN CS[C@H](C)CN[C@H](c1ccccc1)c1ccccn1 ZINC000166173080 331306638 /nfs/dbraw/zinc/30/66/38/331306638.db2.gz YIHMEFLLDXWDIC-CZUORRHYSA-N 0 1 272.417 3.512 20 0 CHADMN CCC[C@H](CC)N=c1nc(-c2ccccc2)[nH]s1 ZINC000462386172 331321201 /nfs/dbraw/zinc/32/12/01/331321201.db2.gz CHFGMWUVYQWPDW-LBPRGKRZSA-N 0 1 261.394 3.618 20 0 CHADMN CCc1noc([C@@H](C)N2CC[C@@H](C)C3(CCCCC3)C2)n1 ZINC000462446465 331322174 /nfs/dbraw/zinc/32/21/74/331322174.db2.gz JYOCQROUZZSBFB-ZIAGYGMSSA-N 0 1 291.439 3.985 20 0 CHADMN CC(C)[C@H]1CCN1Cc1sccc1Br ZINC000462789819 331329262 /nfs/dbraw/zinc/32/92/62/331329262.db2.gz GSNDRTUZXKLYNM-SNVBAGLBSA-N 0 1 274.227 3.741 20 0 CHADMN CCN(Cc1c(Cl)oc2ccccc21)C[C@H](C)OC ZINC000462826597 331331496 /nfs/dbraw/zinc/33/14/96/331331496.db2.gz MIYRFALNJSGJEK-NSHDSACASA-N 0 1 281.783 3.943 20 0 CHADMN CCC[C@@H](CCc1ccccc1)Nc1ncnc2[nH]cnc21 ZINC000462874997 331333571 /nfs/dbraw/zinc/33/35/71/331333571.db2.gz PXGJOWIYKAAGCM-AWEZNQCLSA-N 0 1 295.390 3.566 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H](C)[C@@H](C)CC)c1 ZINC000462921981 331335208 /nfs/dbraw/zinc/33/52/08/331335208.db2.gz LMMDJKMNTCICJT-WDEREUQCSA-N 0 1 277.364 3.606 20 0 CHADMN CC(C)[C@@H]1C[C@@H](Nc2cc3c(cn2)CCCC3)CCO1 ZINC000462949917 331335799 /nfs/dbraw/zinc/33/57/99/331335799.db2.gz BHZINFFYZDPUNP-HOTGVXAUSA-N 0 1 274.408 3.576 20 0 CHADMN CCOc1ccc2nc(SCCCSC)[nH]c2c1 ZINC000463029075 331337594 /nfs/dbraw/zinc/33/75/94/331337594.db2.gz QOXINYMFAPRHPD-UHFFFAOYSA-N 0 1 282.434 3.807 20 0 CHADMN C[C@@H](c1nc(CC2CC(C)(C)C2)no1)N1[C@H](C)CC[C@H]1C ZINC000463172587 331341361 /nfs/dbraw/zinc/34/13/61/331341361.db2.gz MYFAMPCHNLUVLH-UPJWGTAASA-N 0 1 291.439 3.982 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1Cc1nc(CC(C)C)no1 ZINC000464727499 331365373 /nfs/dbraw/zinc/36/53/73/331365373.db2.gz BIZGSCLAKKTZDJ-KGLIPLIRSA-N 0 1 279.428 3.669 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1CC(=O)Nc1ccccc1F ZINC000464739106 331365800 /nfs/dbraw/zinc/36/58/00/331365800.db2.gz OIMDEHXJIHYHIC-CZUORRHYSA-N 0 1 292.398 3.665 20 0 CHADMN COc1ccc(Cl)cc1CN1CCS[C@@H](C(C)C)C1 ZINC000464770405 331367001 /nfs/dbraw/zinc/36/70/01/331367001.db2.gz KBTQQUMMFFWCCK-OAHLLOKOSA-N 0 1 299.867 3.922 20 0 CHADMN CC[C@]1(C)CCCN(CC(=O)Nc2cccc(Cl)c2)C1 ZINC000464774865 331367436 /nfs/dbraw/zinc/36/74/36/331367436.db2.gz LBHZMVPHGUIVBX-MRXNPFEDSA-N 0 1 294.826 3.791 20 0 CHADMN CC(C)c1cccc(NC(=O)CN2C[C@@H](C)CC[C@@H]2C)c1 ZINC000464815265 331369335 /nfs/dbraw/zinc/36/93/35/331369335.db2.gz AGGTZNVNBJPVAP-GJZGRUSLSA-N 0 1 288.435 3.869 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000464814809 331369405 /nfs/dbraw/zinc/36/94/05/331369405.db2.gz RCBYAAZRPXBNIU-NWDGAFQWSA-N 0 1 295.810 3.732 20 0 CHADMN Cc1cccc(-c2noc(CN3C[C@H](C)CC[C@@H]3C)n2)c1 ZINC000464828078 331369958 /nfs/dbraw/zinc/36/99/58/331369958.db2.gz IZODBJZZINPZBS-KGLIPLIRSA-N 0 1 285.391 3.665 20 0 CHADMN C[C@H]1CCCN1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000464840323 331370781 /nfs/dbraw/zinc/37/07/81/331370781.db2.gz UJXFOOZCLSQSBF-NSHDSACASA-N 0 1 276.767 3.979 20 0 CHADMN CCC[C@]1(C)CCCN(CC(=O)Nc2cccc(C)c2)C1 ZINC000464845606 331370879 /nfs/dbraw/zinc/37/08/79/331370879.db2.gz GSAKNDLLAWZGQD-GOSISDBHSA-N 0 1 288.435 3.836 20 0 CHADMN CCC[C@]1(C)CCCN(CC(=O)Nc2cccc(F)c2)C1 ZINC000464846444 331370920 /nfs/dbraw/zinc/37/09/20/331370920.db2.gz JJHVZSONVDHJCJ-QGZVFWFLSA-N 0 1 292.398 3.666 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2ccn(C(C)C)n2)C1 ZINC000464847611 331371036 /nfs/dbraw/zinc/37/10/36/331371036.db2.gz VJFNCOOVZRHRSM-MRXNPFEDSA-N 0 1 263.429 3.866 20 0 CHADMN CSCCCN1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000464893161 331372927 /nfs/dbraw/zinc/37/29/27/331372927.db2.gz IWIVQVNBFJZFQW-NVXWUHKLSA-N 0 1 293.476 3.818 20 0 CHADMN CC(C)C[C@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000465316986 331382335 /nfs/dbraw/zinc/38/23/35/331382335.db2.gz KHGSZEKUEKFNTL-CQSZACIVSA-N 0 1 297.402 3.585 20 0 CHADMN CC[C@@H](CC(F)(F)F)NCc1nn(CC)c2ccccc12 ZINC000472038360 331526446 /nfs/dbraw/zinc/52/64/46/331526446.db2.gz NSKBJMMGZNJBEN-NSHDSACASA-N 0 1 299.340 3.877 20 0 CHADMN Oc1cc(F)cc(CNC2(c3ccc(Cl)cc3)CC2)c1 ZINC000472060680 331528168 /nfs/dbraw/zinc/52/81/68/331528168.db2.gz XESLNOFGVMMWDL-UHFFFAOYSA-N 0 1 291.753 3.964 20 0 CHADMN Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2O)c(F)c1 ZINC000474440073 331587165 /nfs/dbraw/zinc/58/71/65/331587165.db2.gz QEXAILGKFLDTLJ-UHFFFAOYSA-N 0 1 297.688 3.885 20 0 CHADMN Cc1ccccc1-n1nccc1CNCc1ccc(F)cc1 ZINC000474462923 331587545 /nfs/dbraw/zinc/58/75/45/331587545.db2.gz WPCHGFACWSPWMO-UHFFFAOYSA-N 0 1 295.361 3.610 20 0 CHADMN C[C@@H](NCCCCOC(C)(C)C)c1nc(C(C)(C)C)no1 ZINC000475333762 331626681 /nfs/dbraw/zinc/62/66/81/331626681.db2.gz SXWZYIXUJRALJF-GFCCVEGCSA-N 0 1 297.443 3.613 20 0 CHADMN CC(C)c1cccc(CNCc2nc3ccccc3n2C)c1 ZINC000479384743 331726384 /nfs/dbraw/zinc/72/63/84/331726384.db2.gz CBHDEAKCBBHKPM-UHFFFAOYSA-N 0 1 293.414 3.987 20 0 CHADMN COc1cc(C)nc(CN[C@H](C)c2cc(C)cc(C)c2)c1 ZINC000479967328 331752718 /nfs/dbraw/zinc/75/27/18/331752718.db2.gz OSMMAAOTRLNDRX-OAHLLOKOSA-N 0 1 284.403 3.866 20 0 CHADMN CC[C@@H](CSC)Nc1ccnc2cc(F)c(OC)cc21 ZINC000480089547 331757804 /nfs/dbraw/zinc/75/78/04/331757804.db2.gz COWCQALCRAYDSQ-JTQLQIEISA-N 0 1 294.395 3.936 20 0 CHADMN C[C@@H](CN[C@@H](c1ccccc1)c1ccccn1)C(F)(F)F ZINC000480672098 331783551 /nfs/dbraw/zinc/78/35/51/331783551.db2.gz YPECBKNNSQXDKK-WFASDCNBSA-N 0 1 294.320 3.959 20 0 CHADMN CC(C)C[C@@H]1OCCC[C@H]1NCc1c(F)cccc1F ZINC000481718040 331813306 /nfs/dbraw/zinc/81/33/06/331813306.db2.gz PBTRIKXHIDDOTR-CVEARBPZSA-N 0 1 283.362 3.648 20 0 CHADMN CC(C)C1CC(NCc2csc(-c3ccco3)n2)C1 ZINC000486860790 331947452 /nfs/dbraw/zinc/94/74/52/331947452.db2.gz VYLYMGBZNVMOEG-UHFFFAOYSA-N 0 1 276.405 3.927 20 0 CHADMN Fc1ccccc1C1(NC/C=C/c2ccncc2)CC1 ZINC000487273122 331961827 /nfs/dbraw/zinc/96/18/27/331961827.db2.gz MUOXOLFMHDDZAK-ONEGZZNKSA-N 0 1 268.335 3.513 20 0 CHADMN Cc1nc(C(C)(C)NC/C=C/c2ccncc2)sc1C ZINC000487282910 331963013 /nfs/dbraw/zinc/96/30/13/331963013.db2.gz WUPVISSJGNHCIJ-AATRIKPKSA-N 0 1 287.432 3.693 20 0 CHADMN C[C@H]1COC(C)(C)CN1Cc1cccc(-c2cccnc2)c1 ZINC000488374056 332002695 /nfs/dbraw/zinc/00/26/95/332002695.db2.gz YMPGBBVSTAOMNT-HNNXBMFYSA-N 0 1 296.414 3.748 20 0 CHADMN CC(C)c1csc(CN[C@H]2CS[C@H](C(C)C)C2)n1 ZINC000488427189 332007075 /nfs/dbraw/zinc/00/70/75/332007075.db2.gz FTCSEBYQQYINEL-YPMHNXCESA-N 0 1 284.494 3.886 20 0 CHADMN CC(C)C1CC(NCc2cc(COC(C)(C)C)on2)C1 ZINC000488493516 332013560 /nfs/dbraw/zinc/01/35/60/332013560.db2.gz VCPQBUVQDKABMA-UHFFFAOYSA-N 0 1 280.412 3.514 20 0 CHADMN O=C(CC1CCCCC1)Nc1nc2ccc(F)cc2[nH]1 ZINC000488906617 332033109 /nfs/dbraw/zinc/03/31/09/332033109.db2.gz YAEAWHPUYNRVRN-UHFFFAOYSA-N 0 1 275.327 3.611 20 0 CHADMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1csc(Cl)c1 ZINC000488928221 332033948 /nfs/dbraw/zinc/03/39/48/332033948.db2.gz AGYPYZLDUVSBGV-UHFFFAOYSA-N 0 1 295.726 3.669 20 0 CHADMN Cc1cc(C(=O)Nc2nc3ccc(F)cc3[nH]2)sc1C ZINC000488954667 332035226 /nfs/dbraw/zinc/03/52/26/332035226.db2.gz MMXMLVLLJCRHMB-UHFFFAOYSA-N 0 1 289.335 3.633 20 0 CHADMN C[C@@H](C(=O)Nc1nc2ccc(F)cc2[nH]1)c1ccsc1 ZINC000488954748 332035275 /nfs/dbraw/zinc/03/52/75/332035275.db2.gz NXBSJXNBIVGGQS-MRVPVSSYSA-N 0 1 289.335 3.506 20 0 CHADMN Cc1nc(C[N@H+](C)[C@@H](C)Cc2ccccc2C)cs1 ZINC000489103325 332041429 /nfs/dbraw/zinc/04/14/29/332041429.db2.gz OTERIZYRXSMYDG-ZDUSSCGKSA-N 0 1 274.433 3.823 20 0 CHADMN Cc1nc(CN(C)[C@@H](C)Cc2ccccc2C)cs1 ZINC000489103325 332041430 /nfs/dbraw/zinc/04/14/30/332041430.db2.gz OTERIZYRXSMYDG-ZDUSSCGKSA-N 0 1 274.433 3.823 20 0 CHADMN CCN(CCCO)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000489337216 332047488 /nfs/dbraw/zinc/04/74/88/332047488.db2.gz WZAFXOKTJWZHQV-JTQLQIEISA-N 0 1 276.207 3.759 20 0 CHADMN COC(C)(C)CCN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000490069000 332079898 /nfs/dbraw/zinc/07/98/98/332079898.db2.gz SYUQMJOYIIGKSG-MRVPVSSYSA-N 0 1 296.358 3.628 20 0 CHADMN CCOc1ccc(CN[C@H](CC)c2ccc(F)cn2)cc1 ZINC000490120821 332082178 /nfs/dbraw/zinc/08/21/78/332082178.db2.gz WKEPMKMPJNQCLE-MRXNPFEDSA-N 0 1 288.366 3.860 20 0 CHADMN CCCCC(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000490292037 332086090 /nfs/dbraw/zinc/08/60/90/332086090.db2.gz WENUEQQLJFFYHT-UHFFFAOYSA-N 0 1 285.269 3.710 20 0 CHADMN CC(C)CCc1nc(CN2CC[C@H](C3CC3)C2)cs1 ZINC000491231033 332170596 /nfs/dbraw/zinc/17/05/96/332170596.db2.gz FALLTBJUCMYBRZ-AWEZNQCLSA-N 0 1 278.465 3.964 20 0 CHADMN Cc1ccoc1CNCc1ccc2nc(C)sc2c1 ZINC000491437036 332210822 /nfs/dbraw/zinc/21/08/22/332210822.db2.gz YAQBJSIZQMKUPT-UHFFFAOYSA-N 0 1 272.373 3.796 20 0 CHADMN C[C@H]1CCN(c2ccnc3ccccc32)CC1(F)F ZINC000491608020 332242471 /nfs/dbraw/zinc/24/24/71/332242471.db2.gz TVHHGPSTXJQDTI-NSHDSACASA-N 0 1 262.303 3.716 20 0 CHADMN CC[C@H](NC(=O)C=CC(C)(C)C)c1nc2ccccc2[nH]1 ZINC000491872114 332373054 /nfs/dbraw/zinc/37/30/54/332373054.db2.gz ZYSRDUKEJYVHSO-WEHUKYGOSA-N 0 1 285.391 3.733 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C=Cc1cccc(C)c1 ZINC000492320012 332392326 /nfs/dbraw/zinc/39/23/26/332392326.db2.gz NMARGNVDWASMQL-SREVYHEPSA-N 0 1 291.301 3.616 20 0 CHADMN O=C(C=CC1CCCCC1)Nc1ccccc1-c1nnc[nH]1 ZINC000492384645 332394988 /nfs/dbraw/zinc/39/49/88/332394988.db2.gz PDBRFZQGTUPHEV-KHPPLWFESA-N 0 1 296.374 3.547 20 0 CHADMN CCCc1nc(C)c(CNCc2cccc(C)c2)o1 ZINC000492394830 332395466 /nfs/dbraw/zinc/39/54/66/332395466.db2.gz GLWOEOYCGXSTEH-UHFFFAOYSA-N 0 1 258.365 3.534 20 0 CHADMN COc1cccc(F)c1[C@@H](C)NC1CC(OC(C)(C)C)C1 ZINC000493077363 332425510 /nfs/dbraw/zinc/42/55/10/332425510.db2.gz GSMZVVSHPDICNA-PNESKVBLSA-N 0 1 295.398 3.831 20 0 CHADMN CC(C)OC1CC(N2CC[C@@](F)(c3ccccc3)C2)C1 ZINC000575636327 335109192 /nfs/dbraw/zinc/10/91/92/335109192.db2.gz ZBHNPGIUNPFPDC-JCYILVPMSA-N 0 1 277.383 3.513 20 0 CHADMN CCc1nc(CN[C@H](C)[C@H](OC)c2ccccc2)cs1 ZINC000493946110 332458982 /nfs/dbraw/zinc/45/89/82/332458982.db2.gz XKNBPVSYDXEPPM-WBMJQRKESA-N 0 1 290.432 3.571 20 0 CHADMN CCOC[C@H](C)NCc1ccc(Oc2ccccc2)o1 ZINC000494229781 332467350 /nfs/dbraw/zinc/46/73/50/332467350.db2.gz FOBJCHNQFCNNTB-ZDUSSCGKSA-N 0 1 275.348 3.587 20 0 CHADMN Fc1ccc2c(c1)[C@H](NC/C=C\c1ccccc1)CO2 ZINC000495368505 332515645 /nfs/dbraw/zinc/51/56/45/332515645.db2.gz HPZLFYGBAYOVJH-HQQUCIOCSA-N 0 1 269.319 3.562 20 0 CHADMN Fc1ccc2c(c1)[C@H](NC/C=C/c1ccccc1)CO2 ZINC000495368506 332515744 /nfs/dbraw/zinc/51/57/44/332515744.db2.gz HPZLFYGBAYOVJH-IEXSPKMKSA-N 0 1 269.319 3.562 20 0 CHADMN Cc1nccc(N[C@H]2CCOC3(CCCCC3)C2)c1Cl ZINC000499146481 332580842 /nfs/dbraw/zinc/58/08/42/332580842.db2.gz LNGFOTQXNJWSQI-ZDUSSCGKSA-N 0 1 294.826 3.759 20 0 CHADMN CCC[C@@H](CC1CCCC1)C(=O)N1CCN(CCC)CC1 ZINC000499979503 332596906 /nfs/dbraw/zinc/59/69/06/332596906.db2.gz OBHMDTLKJUTYBK-KRWDZBQOSA-N 0 1 294.483 3.537 20 0 CHADMN CCn1cc(CN[C@]2(c3ccc(Cl)cc3)C[C@@H]2C)cn1 ZINC000500424567 332608315 /nfs/dbraw/zinc/60/83/15/332608315.db2.gz LITVREMWLNPSLG-BLLLJJGKSA-N 0 1 289.810 3.581 20 0 CHADMN CCCCOCCCNc1ccnc2cc(F)ccc21 ZINC000500433616 332608739 /nfs/dbraw/zinc/60/87/39/332608739.db2.gz IFEZJRDBCMYITQ-UHFFFAOYSA-N 0 1 276.355 3.993 20 0 CHADMN Fc1ccc2c(c1)nccc2NC[C@H]1Cc2ccccc2O1 ZINC000500463657 332610107 /nfs/dbraw/zinc/61/01/07/332610107.db2.gz FHNCECHADJIWQX-CQSZACIVSA-N 0 1 294.329 3.790 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(c2ccnc3cc(F)ccc32)C1 ZINC000500478800 332610631 /nfs/dbraw/zinc/61/06/31/332610631.db2.gz LHFCHYPDMNYARX-VXGBXAGGSA-N 0 1 258.340 3.856 20 0 CHADMN CC[C@@H]1C[C@]1(NCc1cnc(C)cn1)c1cccc(C)c1 ZINC000500532880 332612541 /nfs/dbraw/zinc/61/25/41/332612541.db2.gz LWNVJUVICXDRHL-CRAIPNDOSA-N 0 1 281.403 3.508 20 0 CHADMN C[C@H](NC[C@H]1C[C@@H]1c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000503001705 332678127 /nfs/dbraw/zinc/67/81/27/332678127.db2.gz AMLFLDGIUSWLPF-NWANDNLSSA-N 0 1 299.418 3.821 20 0 CHADMN C[C@H](Nc1ccnc2cc(F)ccc21)[C@H]1CCCOC1 ZINC000503295238 332685633 /nfs/dbraw/zinc/68/56/33/332685633.db2.gz HSTPLDDFBUATAH-RYUDHWBXSA-N 0 1 274.339 3.601 20 0 CHADMN C[C@H]1CC[C@@H]([N@H+](C)Cc2cccc([O-])c2Cl)C1 ZINC000513241072 333010492 /nfs/dbraw/zinc/01/04/92/333010492.db2.gz GOEAWTCYIKLWOC-CMPLNLGQSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc([O-])c2Cl)C1 ZINC000513241072 333010493 /nfs/dbraw/zinc/01/04/93/333010493.db2.gz GOEAWTCYIKLWOC-CMPLNLGQSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H](O)[C@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000513285965 333012435 /nfs/dbraw/zinc/01/24/35/333012435.db2.gz HASPIPNLPMQRTF-QMTHXVAHSA-N 0 1 288.218 3.729 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@H](C)C1 ZINC000175061277 333013949 /nfs/dbraw/zinc/01/39/49/333013949.db2.gz FORKQLYMBRCPFV-NEPJUHHUSA-N 0 1 250.386 3.765 20 0 CHADMN Cc1cccc2nc(CCC(=O)N(C)C3CCCCC3)[nH]c21 ZINC000175231898 333018012 /nfs/dbraw/zinc/01/80/12/333018012.db2.gz KJNGBAFMIDDAGW-UHFFFAOYSA-N 0 1 299.418 3.595 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@@H](C)c1cc(C)ccn1 ZINC000513660085 333030116 /nfs/dbraw/zinc/03/01/16/333030116.db2.gz FPHNZPNVRPYUSQ-BBRMVZONSA-N 0 1 282.387 3.737 20 0 CHADMN COc1ccc(CN[C@@H]2CCc3c2cccc3F)c(F)c1 ZINC000513865644 333044459 /nfs/dbraw/zinc/04/44/59/333044459.db2.gz ILWHYUPVVXRVAT-QGZVFWFLSA-N 0 1 289.325 3.751 20 0 CHADMN CCc1ccc([C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000309675372 333046934 /nfs/dbraw/zinc/04/69/34/333046934.db2.gz OYJVCNZKRJBXJX-LJQANCHMSA-N 0 1 281.399 3.823 20 0 CHADMN Cc1cccc(CNCc2ccsc2Cl)c1 ZINC000309716963 333047897 /nfs/dbraw/zinc/04/78/97/333047897.db2.gz UGNGTJLXMOOIHC-UHFFFAOYSA-N 0 1 251.782 4.000 20 0 CHADMN C[C@H]1c2cccn2CCN1C[C@H]1CCCC(F)(F)C1 ZINC000513964818 333055815 /nfs/dbraw/zinc/05/58/15/333055815.db2.gz OSGHJEPABJJJBU-STQMWFEESA-N 0 1 268.351 3.690 20 0 CHADMN C[C@@H]([N@@H+](C)Cc1nc2ccccc2s1)C1(C)CC1 ZINC000177250346 333055971 /nfs/dbraw/zinc/05/59/71/333055971.db2.gz PBMNZUCGTRGGTP-LLVKDONJSA-N 0 1 260.406 3.917 20 0 CHADMN CO[C@@](C)(CNCc1c(Cl)cccc1Cl)C1CC1 ZINC000310854224 333062023 /nfs/dbraw/zinc/06/20/23/333062023.db2.gz JKLOBPSZIBMQJM-AWEZNQCLSA-N 0 1 288.218 3.898 20 0 CHADMN CC[C@@H](C)C[N@@H+](CC)Cc1cc(-c2ccco2)on1 ZINC000177860373 333064285 /nfs/dbraw/zinc/06/42/85/333064285.db2.gz TXYGFWXTVSGOFS-GFCCVEGCSA-N 0 1 262.353 3.803 20 0 CHADMN Cc1cccc([C@@H]2CCCCC[N@H+]2CC2(C(=O)[O-])CC2)c1 ZINC000516777974 333082372 /nfs/dbraw/zinc/08/23/72/333082372.db2.gz YTNOJICJMJULRD-INIZCTEOSA-N 0 1 287.403 3.777 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCC[C@H](CC)CC2)n1 ZINC000516891005 333085572 /nfs/dbraw/zinc/08/55/72/333085572.db2.gz ZKJAUGOSCRVROF-KGLIPLIRSA-N 0 1 279.428 3.985 20 0 CHADMN Clc1ccsc1COc1ccccc1-c1nnc[nH]1 ZINC000517201300 333094526 /nfs/dbraw/zinc/09/45/26/333094526.db2.gz ATLYXIUNJZYJIR-UHFFFAOYSA-N 0 1 291.763 3.766 20 0 CHADMN Cc1ccc(CNCc2cc3c(s2)CCCC3)o1 ZINC000517547715 333102043 /nfs/dbraw/zinc/10/20/43/333102043.db2.gz KUEVOGYRTPXFPT-UHFFFAOYSA-N 0 1 261.390 3.818 20 0 CHADMN CCOc1cc(C)ccc1CN[C@H](C)c1cncc(C)c1 ZINC000184387428 333128021 /nfs/dbraw/zinc/12/80/21/333128021.db2.gz NKZMHYJGVPGNQW-OAHLLOKOSA-N 0 1 284.403 3.948 20 0 CHADMN CCC[C@@H](C)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000184639695 333130877 /nfs/dbraw/zinc/13/08/77/333130877.db2.gz YRJWUUPUKVJYSE-MNOVXSKESA-N 0 1 277.343 3.715 20 0 CHADMN Oc1cc(F)cc(CNCc2ccc3ccccc3c2)c1 ZINC000185493108 333141830 /nfs/dbraw/zinc/14/18/30/333141830.db2.gz ULGJTMZSSOETIP-UHFFFAOYSA-N 0 1 281.330 3.974 20 0 CHADMN CC[C@H]1[C@H](C)CCN1Cc1noc(-c2ccccc2C)n1 ZINC000185629319 333145312 /nfs/dbraw/zinc/14/53/12/333145312.db2.gz UCNCXZZNSIUQCS-HIFRSBDPSA-N 0 1 285.391 3.665 20 0 CHADMN CC[C@@H]1[C@@H](C)CCN1Cc1noc(-c2ccccc2C)n1 ZINC000185629337 333145434 /nfs/dbraw/zinc/14/54/34/333145434.db2.gz UCNCXZZNSIUQCS-DZGCQCFKSA-N 0 1 285.391 3.665 20 0 CHADMN CC[C@H]1[C@H](C)CCN1Cc1nnc(-c2ccccc2)s1 ZINC000185645294 333145623 /nfs/dbraw/zinc/14/56/23/333145623.db2.gz CXGIOBDTKNWQSC-OCCSQVGLSA-N 0 1 287.432 3.826 20 0 CHADMN CC[C@@H]1[C@@H](C)CCN1Cc1nnc(-c2ccccc2)s1 ZINC000185645312 333146010 /nfs/dbraw/zinc/14/60/10/333146010.db2.gz CXGIOBDTKNWQSC-GXTWGEPZSA-N 0 1 287.432 3.826 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@H]2NCc1nccs1 ZINC000186117941 333155341 /nfs/dbraw/zinc/15/53/41/333155341.db2.gz GIDOXOBCWCNNCO-CQSZACIVSA-N 0 1 272.417 3.927 20 0 CHADMN CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000186317937 333158492 /nfs/dbraw/zinc/15/84/92/333158492.db2.gz PUMHPEGPDDEXIX-KBPBESRZSA-N 0 1 297.512 3.893 20 0 CHADMN CC(C)(C)OCc1cc(CN[C@@H]2CCCC2(C)C)no1 ZINC000186803654 333165181 /nfs/dbraw/zinc/16/51/81/333165181.db2.gz NIMSEDXRBCHBBS-CQSZACIVSA-N 0 1 280.412 3.658 20 0 CHADMN Cc1nc(SCC2CCOCC2)[nH]c1-c1ccccc1 ZINC000187117942 333168288 /nfs/dbraw/zinc/16/82/88/333168288.db2.gz BCODSYBYKFEBSL-UHFFFAOYSA-N 0 1 288.416 3.904 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000188858275 333175010 /nfs/dbraw/zinc/17/50/10/333175010.db2.gz NMKMXLDQRQTMBF-UHFFFAOYSA-N 0 1 271.364 3.909 20 0 CHADMN Cc1cccc(C)c1OCCN1Cc2ccccc2C1 ZINC000521586713 333179223 /nfs/dbraw/zinc/17/92/23/333179223.db2.gz WVZBMDZTAKTBJF-UHFFFAOYSA-N 0 1 267.372 3.698 20 0 CHADMN CCCn1ncnc1CN(CCC(C)C)CCC(C)C ZINC000564164047 333181877 /nfs/dbraw/zinc/18/18/77/333181877.db2.gz KDERPOUXKDGHAJ-UHFFFAOYSA-N 0 1 280.460 3.582 20 0 CHADMN C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000572523009 333184887 /nfs/dbraw/zinc/18/48/87/333184887.db2.gz RMLLQSDNBWRDIC-GLJUWKHASA-N 0 1 297.398 3.943 20 0 CHADMN CC(C)CCc1ccccc1NC(=O)CN(C)C(C)C ZINC000521798948 333188479 /nfs/dbraw/zinc/18/84/79/333188479.db2.gz SUMSCJAXEIQKDG-UHFFFAOYSA-N 0 1 276.424 3.554 20 0 CHADMN c1nc2ccc(CNc3ccc4c(c3)CCC4)cc2[nH]1 ZINC000521817751 333189809 /nfs/dbraw/zinc/18/98/09/333189809.db2.gz PUPVOUOGHTVHJG-UHFFFAOYSA-N 0 1 263.344 3.664 20 0 CHADMN Cc1ccccc1OCCCNCc1c(F)cccc1F ZINC000521829534 333191655 /nfs/dbraw/zinc/19/16/55/333191655.db2.gz HUMKHQFYGMKRIY-UHFFFAOYSA-N 0 1 291.341 3.832 20 0 CHADMN Clc1sccc1CN1CC[C@@H](c2cccnc2)C1 ZINC000521877046 333194998 /nfs/dbraw/zinc/19/49/98/333194998.db2.gz SRYRENQEIFOHFE-GFCCVEGCSA-N 0 1 278.808 3.786 20 0 CHADMN C[C@@H](NC[C@H]1CCC[N@@H+]1C)c1cc(Cl)ccc1Cl ZINC000222704463 333198967 /nfs/dbraw/zinc/19/89/67/333198967.db2.gz HQIBGZDQTATTPM-ZYHUDNBSSA-N 0 1 287.234 3.738 20 0 CHADMN CCc1cccc(CN(Cc2ccncc2)C2CC2)c1 ZINC000189771743 333199138 /nfs/dbraw/zinc/19/91/38/333199138.db2.gz XBKJAGFMEZEPAP-UHFFFAOYSA-N 0 1 266.388 3.809 20 0 CHADMN CCC1(CC)CCCN(Cc2nnc(C(C)C)o2)CC1 ZINC000190413748 333206668 /nfs/dbraw/zinc/20/66/68/333206668.db2.gz ZXCPQYHYUKSSMH-UHFFFAOYSA-N 0 1 279.428 3.985 20 0 CHADMN c1ccc2c(c1)CN(C[C@@H]1CCC3(CCCCC3)O1)C2 ZINC000190965077 333212857 /nfs/dbraw/zinc/21/28/57/333212857.db2.gz VJLLLEAOMFRVPM-KRWDZBQOSA-N 0 1 271.404 3.884 20 0 CHADMN CC(C)OCCN(CCC(F)(F)F)Cc1ccccc1 ZINC000191234652 333217183 /nfs/dbraw/zinc/21/71/83/333217183.db2.gz OLSQUERIEWTFBU-UHFFFAOYSA-N 0 1 289.341 3.866 20 0 CHADMN Clc1cccc(CNCCOCC2CC2)c1Cl ZINC000224522600 333222099 /nfs/dbraw/zinc/22/20/99/333222099.db2.gz CHLAYXNMUOPPOR-UHFFFAOYSA-N 0 1 274.191 3.510 20 0 CHADMN Clc1ccc(CNCCOCC2CC2)c(Cl)c1 ZINC000224536049 333222320 /nfs/dbraw/zinc/22/23/20/333222320.db2.gz BJTCRLRLEXMBAZ-UHFFFAOYSA-N 0 1 274.191 3.510 20 0 CHADMN Clc1cc(CN2CCCC23CCC3)cc2c1OCO2 ZINC000521967587 333228442 /nfs/dbraw/zinc/22/84/42/333228442.db2.gz JODMLXDQKVBIGN-UHFFFAOYSA-N 0 1 279.767 3.587 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Cl)s2)CCS1 ZINC000192170868 333231249 /nfs/dbraw/zinc/23/12/49/333231249.db2.gz VFEOAJXGBWEAKD-VIFPVBQESA-N 0 1 261.843 3.729 20 0 CHADMN CC(C)CCN(Cc1nc2ccccc2n1C)C1CC1 ZINC000195061354 333244515 /nfs/dbraw/zinc/24/45/15/333244515.db2.gz XKRXBNLKJDQZCJ-UHFFFAOYSA-N 0 1 271.408 3.584 20 0 CHADMN C[C@@H]1CC[C@@H](NC(=O)c2ccc(O)c(Cl)c2)[C@@H](C)C1 ZINC000226204396 333253869 /nfs/dbraw/zinc/25/38/69/333253869.db2.gz OYXPWZKDWZDAKL-GBIKHYSHSA-N 0 1 281.783 3.600 20 0 CHADMN CC(C)n1cc(CNCc2ccc(C(F)(F)F)cc2)cn1 ZINC000226239703 333254780 /nfs/dbraw/zinc/25/47/80/333254780.db2.gz XPFLXQNACJGVSO-UHFFFAOYSA-N 0 1 297.324 3.773 20 0 CHADMN CCN(Cc1ncc(-c2ccc(OC)cc2)o1)C(C)C ZINC000194511183 333272119 /nfs/dbraw/zinc/27/21/19/333272119.db2.gz SIHCYRCURPPJKX-UHFFFAOYSA-N 0 1 274.364 3.581 20 0 CHADMN c1ccc([C@H]2CCCN2Cc2cnc3ccccc3c2)nc1 ZINC000522648837 333294778 /nfs/dbraw/zinc/29/47/78/333294778.db2.gz FXWFPWDFMYMDIF-LJQANCHMSA-N 0 1 289.382 3.967 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2ccc(OC(F)F)cc2)C[C@H](C)O1 ZINC000523017121 333304734 /nfs/dbraw/zinc/30/47/34/333304734.db2.gz XXKVCULSIZGHSV-OUCADQQQSA-N 0 1 299.361 3.848 20 0 CHADMN CCCCCOc1ccc(CN[C@@H](C)c2cn[nH]c2)cc1 ZINC000229883070 333310790 /nfs/dbraw/zinc/31/07/90/333310790.db2.gz ASACXYBCKPCZRS-AWEZNQCLSA-N 0 1 287.407 3.830 20 0 CHADMN COc1cc(CN[C@H](C)c2cn3ccccc3n2)ccc1C ZINC000575934795 335133585 /nfs/dbraw/zinc/13/35/85/335133585.db2.gz XNXPAPXAQMWNJN-CQSZACIVSA-N 0 1 295.386 3.502 20 0 CHADMN C[C@@H](CC(F)(F)F)NCc1ccc(Cl)cc1F ZINC000230950015 333323022 /nfs/dbraw/zinc/32/30/22/333323022.db2.gz JXTCZEAESZXAKW-ZETCQYMHSA-N 0 1 269.669 3.910 20 0 CHADMN C[C@H](C(=O)OC(C)(C)C)N(C)CCC1CCCCC1 ZINC000523441155 333327151 /nfs/dbraw/zinc/32/71/51/333327151.db2.gz DIEHNYKDEVHQEJ-CYBMUJFWSA-N 0 1 269.429 3.619 20 0 CHADMN C[C@@H](CC(F)(F)F)NCc1ccc(F)cc1Cl ZINC000231751284 333329231 /nfs/dbraw/zinc/32/92/31/333329231.db2.gz YPSWADVXCRFYFE-ZETCQYMHSA-N 0 1 269.669 3.910 20 0 CHADMN CC[C@H]1CCCCCN1CC(=O)Nc1cc(F)ccc1F ZINC000523553377 333332867 /nfs/dbraw/zinc/33/28/67/333332867.db2.gz ZZRXSKZTOGNIOU-ZDUSSCGKSA-N 0 1 296.361 3.558 20 0 CHADMN CC(C)Oc1ccccc1NCc1ccc2nc[nH]c2c1 ZINC000524460431 333362701 /nfs/dbraw/zinc/36/27/01/333362701.db2.gz SCJCEUHPTOBJMP-UHFFFAOYSA-N 0 1 281.359 3.962 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2csc3ccccc23)[C@@H]1C(=O)[O-] ZINC000235711059 333371726 /nfs/dbraw/zinc/37/17/26/333371726.db2.gz OGAVVHSHSQAGGP-NHYWBVRUSA-N 0 1 289.400 3.586 20 0 CHADMN COc1ccc(F)cc1CNCc1ccc(Cl)cc1 ZINC000237172913 333378024 /nfs/dbraw/zinc/37/80/24/333378024.db2.gz YFBKLWMFXGGMCQ-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cc(C(C)(C)C)on1 ZINC000572529207 333383425 /nfs/dbraw/zinc/38/34/25/333383425.db2.gz PGFZUXPOGLKOJE-GFCCVEGCSA-N 0 1 250.386 3.737 20 0 CHADMN CC[C@@H]1CN(Cc2ccccc2Cl)CCS1 ZINC000524752799 333386224 /nfs/dbraw/zinc/38/62/24/333386224.db2.gz BRDNGODUNVXBOR-GFCCVEGCSA-N 0 1 255.814 3.667 20 0 CHADMN Cc1cccc(C)c1CN1CCOC[C@H]1c1ccccc1 ZINC000524752740 333386251 /nfs/dbraw/zinc/38/62/51/333386251.db2.gz LTDIIDGRAAYESK-IBGZPJMESA-N 0 1 281.399 3.877 20 0 CHADMN CC[C@H](O)[C@H]1CCCCN1Cc1ccc(F)cc1Cl ZINC000524856549 333391041 /nfs/dbraw/zinc/39/10/41/333391041.db2.gz RHGGBVDFBZDPLD-CABCVRRESA-N 0 1 285.790 3.605 20 0 CHADMN CC(C)[C@H](CC(F)(F)F)NCc1ncccc1Cl ZINC000528469139 333439884 /nfs/dbraw/zinc/43/98/84/333439884.db2.gz COYDPIRHZIAMNZ-JTQLQIEISA-N 0 1 280.721 3.802 20 0 CHADMN C[C@@H](NCCC1CCCC1)c1nc(Cc2ccccc2)no1 ZINC000173884192 335142664 /nfs/dbraw/zinc/14/26/64/335142664.db2.gz KLYDRVOUJMKIHK-CQSZACIVSA-N 0 1 299.418 3.891 20 0 CHADMN Fc1ccc(CN[C@@H]2C[C@H]2c2c(F)cccc2Cl)nc1 ZINC000529600985 333500593 /nfs/dbraw/zinc/50/05/93/333500593.db2.gz QHXHAQICPZBFST-BXUZGUMPSA-N 0 1 294.732 3.659 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc3c2OCO3)c(C)c1 ZINC000037772196 333538803 /nfs/dbraw/zinc/53/88/03/333538803.db2.gz NDFXUTFXYCLIKF-CQSZACIVSA-N 0 1 283.371 3.883 20 0 CHADMN C[C@H](N[C@H]1CCCC[C@@H]1C)c1noc(-c2ccccc2)n1 ZINC000124418191 333558766 /nfs/dbraw/zinc/55/87/66/333558766.db2.gz BWLFTECTEZGATD-YDHLFZDLSA-N 0 1 285.391 3.966 20 0 CHADMN Cc1ccc([C@@H](C)N(C)C(=O)c2c(O)cccc2F)cc1 ZINC000125755593 333572426 /nfs/dbraw/zinc/57/24/26/333572426.db2.gz UOTKFJBXFDOLBV-GFCCVEGCSA-N 0 1 287.334 3.673 20 0 CHADMN c1oc2ccccc2c1CN1CCN(c2ccccc2)CC1 ZINC000067886784 333645660 /nfs/dbraw/zinc/64/56/60/333645660.db2.gz MXMDGGRURURART-UHFFFAOYSA-N 0 1 292.382 3.755 20 0 CHADMN CC[C@H](NCc1ccccc1CO)c1cc(C)ccc1OC ZINC000538985526 333647875 /nfs/dbraw/zinc/64/78/75/333647875.db2.gz WJLMPAKFZMDFMD-SFHVURJKSA-N 0 1 299.414 3.737 20 0 CHADMN C[C@H](NCC1(c2ccc(F)cc2F)CC1)c1cscn1 ZINC000539051223 333651710 /nfs/dbraw/zinc/65/17/10/333651710.db2.gz BCZAWDJYMOYKBZ-JTQLQIEISA-N 0 1 294.370 3.804 20 0 CHADMN CC(C)CC[C@H](C)NCc1nnc(C(C)(C)C)s1 ZINC000539063602 333653883 /nfs/dbraw/zinc/65/38/83/333653883.db2.gz MSDCIVYZVQEUFW-NSHDSACASA-N 0 1 269.458 3.750 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1ccccc1OC)c1cccs1 ZINC000539082956 333656393 /nfs/dbraw/zinc/65/63/93/333656393.db2.gz KDCVFEZILPVFHZ-KGLIPLIRSA-N 0 1 291.416 3.531 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cc(C)ccc1F ZINC000539105283 333658346 /nfs/dbraw/zinc/65/83/46/333658346.db2.gz PQFPIGBKHLKXFE-CYBMUJFWSA-N 0 1 272.367 3.942 20 0 CHADMN Cc1cc(CNC2(c3ccccc3)CCCC2)on1 ZINC000539295649 333664479 /nfs/dbraw/zinc/66/44/79/333664479.db2.gz PRHQVVWIAZMYIA-UHFFFAOYSA-N 0 1 256.349 3.542 20 0 CHADMN FCCN[C@@H](Cc1ccccc1)c1ccccc1F ZINC000539361409 333667322 /nfs/dbraw/zinc/66/73/22/333667322.db2.gz VEWAHTIODUQUTF-INIZCTEOSA-N 0 1 261.315 3.669 20 0 CHADMN CO[C@H](C)[C@H](C)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000539691104 333685633 /nfs/dbraw/zinc/68/56/33/333685633.db2.gz XPPWOCUEBPPIPJ-VHSXEESVSA-N 0 1 288.218 3.996 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1ccccc1C)c1ccccc1F ZINC000539812863 333692089 /nfs/dbraw/zinc/69/20/89/333692089.db2.gz WKXKSDHDCFQCJR-MSOLQXFVSA-N 0 1 287.378 3.908 20 0 CHADMN Cc1nc(CNCc2cccc3[nH]ccc32)sc1C ZINC000174433843 335154527 /nfs/dbraw/zinc/15/45/27/335154527.db2.gz KRFBASZVLXTAHJ-UHFFFAOYSA-N 0 1 271.389 3.531 20 0 CHADMN COc1ccccc1[C@H](N[C@@H](C)[C@@H](C)OC)c1ccccc1 ZINC000540168228 333716865 /nfs/dbraw/zinc/71/68/65/333716865.db2.gz GTYQXWJVVJQLPJ-QMTMVMCOSA-N 0 1 299.414 3.798 20 0 CHADMN CC[C@H](NCc1cc2c(s1)CCCC2)c1nccn1C ZINC000540409827 333728984 /nfs/dbraw/zinc/72/89/84/333728984.db2.gz NEDUSMXRKYXRTK-AWEZNQCLSA-N 0 1 289.448 3.601 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@H](C)c1cnn(C(C)C)c1 ZINC000540954002 333755309 /nfs/dbraw/zinc/75/53/09/333755309.db2.gz UAZMFQWIIJEIOY-KGLIPLIRSA-N 0 1 286.423 3.833 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccnn2C(C)C)c(C)o1 ZINC000337201041 333773979 /nfs/dbraw/zinc/77/39/79/333773979.db2.gz FOCCGROZQLTGEM-GFCCVEGCSA-N 0 1 261.369 3.525 20 0 CHADMN CCCOc1ccc(CNCc2ccoc2)cc1OCC ZINC000069833030 333793630 /nfs/dbraw/zinc/79/36/30/333793630.db2.gz VFAYVKMKCBNGKD-UHFFFAOYSA-N 0 1 289.375 3.757 20 0 CHADMN Cc1cc([C@H](C)NCc2cnoc2C)c(C)s1 ZINC000129745557 333794107 /nfs/dbraw/zinc/79/41/07/333794107.db2.gz GVTQFAPAGCWSID-VIFPVBQESA-N 0 1 250.367 3.512 20 0 CHADMN Cc1cc(C)c(CN[C@@H](CO)c2cccc(F)c2)c(C)c1 ZINC000541951319 333803874 /nfs/dbraw/zinc/80/38/74/333803874.db2.gz ASMURBIJXCLYHA-SFHVURJKSA-N 0 1 287.378 3.574 20 0 CHADMN CC(C)c1cnc(CN2CCc3ccccc3CC2)s1 ZINC000542466404 333825986 /nfs/dbraw/zinc/82/59/86/333825986.db2.gz INVLMXCNSGNIGI-UHFFFAOYSA-N 0 1 286.444 3.867 20 0 CHADMN CCc1cnc(CN[C@@H](C)[C@@H](C)c2ccccc2)o1 ZINC000542538954 333831291 /nfs/dbraw/zinc/83/12/91/333831291.db2.gz QJQVUQGWUZFGMH-OLZOCXBDSA-N 0 1 258.365 3.519 20 0 CHADMN CC(C)[C@@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000071029359 333842098 /nfs/dbraw/zinc/84/20/98/333842098.db2.gz PXJWNXBWTFXMPT-GFCCVEGCSA-N 0 1 295.810 3.944 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H]1CCc3ccc(F)cc31)CO2 ZINC000130725497 333868371 /nfs/dbraw/zinc/86/83/71/333868371.db2.gz UMHDEXTVCMKFNU-IRXDYDNUSA-N 0 1 283.346 3.845 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C[C@H]2CCCC[C@@H]2C)c1 ZINC000543761250 333896641 /nfs/dbraw/zinc/89/66/41/333896641.db2.gz GJUHVEAWZIYLGK-WCQYABFASA-N 0 1 289.375 3.750 20 0 CHADMN COC[C@@H](NCc1csc(C2CCCCC2)n1)C(C)C ZINC000544414395 333930259 /nfs/dbraw/zinc/93/02/59/333930259.db2.gz FJDXMEOIXMYSRY-OAHLLOKOSA-N 0 1 296.480 3.951 20 0 CHADMN CCc1nc([C@H](C)NCCc2cccc(F)c2F)cs1 ZINC000544470076 333932934 /nfs/dbraw/zinc/93/29/34/333932934.db2.gz XCHWLSCLMWFTHA-JTQLQIEISA-N 0 1 296.386 3.877 20 0 CHADMN CC[C@@H](N[C@H](c1ccc(C)cc1)C1CC1)c1ccn(C)n1 ZINC000544580471 333937689 /nfs/dbraw/zinc/93/76/89/333937689.db2.gz WHLDKHYXZSLTJL-SJLPKXTDSA-N 0 1 283.419 3.921 20 0 CHADMN C[C@@H]1CCN(C(=O)c2c(O)cccc2F)c2ccccc21 ZINC000131727908 333964485 /nfs/dbraw/zinc/96/44/85/333964485.db2.gz CTNYHWYLFRMEAJ-LLVKDONJSA-N 0 1 285.318 3.685 20 0 CHADMN CCC[C@H](C)N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000545159309 333965388 /nfs/dbraw/zinc/96/53/88/333965388.db2.gz CXCWGEWYJKFWDO-LRDDRELGSA-N 0 1 291.826 3.941 20 0 CHADMN CC[C@H](NC1(COC)CC1)c1cccc(Cl)c1F ZINC000545184203 333967161 /nfs/dbraw/zinc/96/71/61/333967161.db2.gz BNCCVJOKACEZCT-LBPRGKRZSA-N 0 1 271.763 3.699 20 0 CHADMN CC[C@@H](NC1(COC)CC1)c1cccc(Cl)c1F ZINC000545184202 333967183 /nfs/dbraw/zinc/96/71/83/333967183.db2.gz BNCCVJOKACEZCT-GFCCVEGCSA-N 0 1 271.763 3.699 20 0 CHADMN CC[C@H](C)CN[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000545860532 334003011 /nfs/dbraw/zinc/00/30/11/334003011.db2.gz QVNHUKDIMURUKG-LRDDRELGSA-N 0 1 291.826 3.799 20 0 CHADMN CC/C=C\CCN1CCO[C@H](c2ccccc2C)C1 ZINC000545937708 334007728 /nfs/dbraw/zinc/00/77/28/334007728.db2.gz XICODBUXKHEMSU-CHYADLBTSA-N 0 1 259.393 3.725 20 0 CHADMN Fc1ccc(CN2CCc3ccsc3C2)c2ncccc12 ZINC000132967918 334011957 /nfs/dbraw/zinc/01/19/57/334011957.db2.gz NVJIAEOJBWGBBB-UHFFFAOYSA-N 0 1 298.386 3.994 20 0 CHADMN Cc1ccc2[nH]c(CN[C@H]3CCCc4c[nH]nc43)cc2c1C ZINC000546021939 334013010 /nfs/dbraw/zinc/01/30/10/334013010.db2.gz KACSCPLXLOLQGD-KRWDZBQOSA-N 0 1 294.402 3.675 20 0 CHADMN CCn1ccnc1CN[C@H]1c2ccccc2CCC[C@@H]1C ZINC000546611543 334040245 /nfs/dbraw/zinc/04/02/45/334040245.db2.gz IKEHQMFHSSFRCS-KBXCAEBGSA-N 0 1 283.419 3.706 20 0 CHADMN CCc1ccc(CN[C@@H]2COc3ccc(F)cc32)s1 ZINC000546634606 334042514 /nfs/dbraw/zinc/04/25/14/334042514.db2.gz JAYBNGVYPSEOLW-CQSZACIVSA-N 0 1 277.364 3.673 20 0 CHADMN CCOc1ccccc1OCCN(C)[C@H](C)c1ccco1 ZINC000075674401 334048666 /nfs/dbraw/zinc/04/86/66/334048666.db2.gz OEECFAHOHFKCHP-CQSZACIVSA-N 0 1 289.375 3.750 20 0 CHADMN CCC[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000546750510 334049558 /nfs/dbraw/zinc/04/95/58/334049558.db2.gz GQERRFSYDAVAQP-HNNXBMFYSA-N 0 1 297.402 3.872 20 0 CHADMN COc1cc(C)nc(CN[C@@H](C)c2c(C)cccc2C)c1 ZINC000546880964 334053460 /nfs/dbraw/zinc/05/34/60/334053460.db2.gz VVPKKRCJFTZJNH-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN Cc1cc(-c2noc(C=C3CCCC3)n2)cc2nc[nH]c21 ZINC000547140409 334068816 /nfs/dbraw/zinc/06/88/16/334068816.db2.gz VJEUAMCJWMGOCQ-UHFFFAOYSA-N 0 1 280.331 3.879 20 0 CHADMN CO[C@]1(C)C[C@@H](NCc2csc(C(C)(C)C)n2)C1(C)C ZINC000237269663 334085174 /nfs/dbraw/zinc/08/51/74/334085174.db2.gz ILPMJDHYRSIGKM-MLGOLLRUSA-N 0 1 296.480 3.734 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2ccc3ncccc3c2)n1 ZINC000547434802 334088171 /nfs/dbraw/zinc/08/81/71/334088171.db2.gz VKEOCHQRQHBCTC-UHFFFAOYSA-N 0 1 298.415 3.943 20 0 CHADMN CC(C)(C)c1nc(SCc2ccc3ncccc3c2)n[nH]1 ZINC000547434802 334088172 /nfs/dbraw/zinc/08/81/72/334088172.db2.gz VKEOCHQRQHBCTC-UHFFFAOYSA-N 0 1 298.415 3.943 20 0 CHADMN CCCC[C@H](CCC)CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000134490560 334092020 /nfs/dbraw/zinc/09/20/20/334092020.db2.gz LYXWBJYVDBJWSN-KBPBESRZSA-N 0 1 291.439 3.552 20 0 CHADMN CCC[C@@H]1CCCC[C@H]1NCc1nc([C@H](C)OCC)no1 ZINC000547508963 334096162 /nfs/dbraw/zinc/09/61/62/334096162.db2.gz WHCSUHPNXXWTDE-BFHYXJOUSA-N 0 1 295.427 3.616 20 0 CHADMN C(=C\[C@H]1CCCCC[N@H+]1Cc1c[nH]cn1)\c1ccccc1 ZINC000547528752 334099094 /nfs/dbraw/zinc/09/90/94/334099094.db2.gz JJRIBFIQFCMOJZ-RXQFDZFGSA-N 0 1 281.403 3.868 20 0 CHADMN C(=C\[C@H]1CCCCC[N@@H+]1Cc1c[nH]cn1)\c1ccccc1 ZINC000547528752 334099095 /nfs/dbraw/zinc/09/90/95/334099095.db2.gz JJRIBFIQFCMOJZ-RXQFDZFGSA-N 0 1 281.403 3.868 20 0 CHADMN C(=C\[C@H]1CCCCCN1Cc1c[nH]cn1)\c1ccccc1 ZINC000547528752 334099096 /nfs/dbraw/zinc/09/90/96/334099096.db2.gz JJRIBFIQFCMOJZ-RXQFDZFGSA-N 0 1 281.403 3.868 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2Br)C1 ZINC000134969554 334110019 /nfs/dbraw/zinc/11/00/19/334110019.db2.gz JZNHTBNXGYKILZ-MNOVXSKESA-N 0 1 268.198 3.679 20 0 CHADMN COc1ccc(CN2C[C@H](C)C[C@H]2C)cc1Br ZINC000134990077 334110976 /nfs/dbraw/zinc/11/09/76/334110976.db2.gz RNNRXHLDSSXGCJ-GHMZBOCLSA-N 0 1 298.224 3.688 20 0 CHADMN Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2O)oc1C ZINC000547779087 334117224 /nfs/dbraw/zinc/11/72/24/334117224.db2.gz CRGOKURWLCVDAN-UHFFFAOYSA-N 0 1 283.686 3.647 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N(C)CCC1CC1 ZINC000135260637 334122599 /nfs/dbraw/zinc/12/25/99/334122599.db2.gz VBIJWTLWJQLEAM-SNVBAGLBSA-N 0 1 277.393 3.591 20 0 CHADMN CCC[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000547830004 334124152 /nfs/dbraw/zinc/12/41/52/334124152.db2.gz QQYVLCLRZCJVCE-ZDUSSCGKSA-N 0 1 257.381 3.575 20 0 CHADMN C[C@@H]1CCC[C@@H](CCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000078831572 334141298 /nfs/dbraw/zinc/14/12/98/334141298.db2.gz DFSMZGNEALPYKN-OLZOCXBDSA-N 0 1 285.391 3.509 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC000548176202 334144935 /nfs/dbraw/zinc/14/49/35/334144935.db2.gz QKMURMXONVPMRV-ZYHUDNBSSA-N 0 1 297.324 3.726 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc2nc[nH]c2c1 ZINC000548176202 334144936 /nfs/dbraw/zinc/14/49/36/334144936.db2.gz QKMURMXONVPMRV-ZYHUDNBSSA-N 0 1 297.324 3.726 20 0 CHADMN c1nc2ccc(CN3CC4(CC4)c4ccccc43)cc2[nH]1 ZINC000548181922 334145579 /nfs/dbraw/zinc/14/55/79/334145579.db2.gz ONKINWPEELRKOB-UHFFFAOYSA-N 0 1 275.355 3.615 20 0 CHADMN CCn1nc(C)c(CNCc2cc(F)cc(Cl)c2)c1C ZINC000548258703 334147600 /nfs/dbraw/zinc/14/76/00/334147600.db2.gz QKFUCIABFJFMDK-UHFFFAOYSA-N 0 1 295.789 3.602 20 0 CHADMN Cc1cscc1C(=O)Nc1cccc(Cl)c1O ZINC000175273101 335178770 /nfs/dbraw/zinc/17/87/70/335178770.db2.gz BTXHIPFDNUDSPP-UHFFFAOYSA-N 0 1 267.737 3.668 20 0 CHADMN CC[C@@H]1CCCC[C@H]1N(C)Cc1csc(COC)n1 ZINC000548403543 334154537 /nfs/dbraw/zinc/15/45/37/334154537.db2.gz UFKUZYAXMAZTLN-TZMCWYRMSA-N 0 1 282.453 3.690 20 0 CHADMN COc1ccccc1CN(C)CCSc1ccccc1 ZINC000079618275 334158375 /nfs/dbraw/zinc/15/83/75/334158375.db2.gz GRMVAHDKMBMUSN-UHFFFAOYSA-N 0 1 287.428 3.919 20 0 CHADMN C[C@H]1c2c(F)cccc2CCN1C[C@H]1CCC(C)(C)O1 ZINC000548485171 334159643 /nfs/dbraw/zinc/15/96/43/334159643.db2.gz UFMWUOVJEJZLQR-GXTWGEPZSA-N 0 1 277.383 3.702 20 0 CHADMN c1ccc([C@@H]2CCCC[C@H]2NCc2nc(C3CC3)no2)cc1 ZINC000548539259 334162480 /nfs/dbraw/zinc/16/24/80/334162480.db2.gz RNQVNGULSBUHAC-JKSUJKDBSA-N 0 1 297.402 3.763 20 0 CHADMN C[C@H]1CC[C@H](C)N(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000136987756 334166712 /nfs/dbraw/zinc/16/67/12/334166712.db2.gz UHZQCXKQWPBSFN-STQMWFEESA-N 0 1 289.423 3.718 20 0 CHADMN CCOC(=O)c1oc2ccccc2c1CN1[C@@H](C)C[C@@H]1C ZINC000548753218 334169891 /nfs/dbraw/zinc/16/98/91/334169891.db2.gz PATMXXZETVBVRU-RYUDHWBXSA-N 0 1 287.359 3.592 20 0 CHADMN CC[C@]1(C)CN(C[C@@H](OC)c2ccc(Cl)cc2)CCO1 ZINC000548932165 334180862 /nfs/dbraw/zinc/18/08/62/334180862.db2.gz SZLJDABOUXZXQI-HZPDHXFCSA-N 0 1 297.826 3.528 20 0 CHADMN C[C@H](CN1CCOCC12CC2)c1ccc(C(F)(F)F)cc1 ZINC000549077322 334184732 /nfs/dbraw/zinc/18/47/32/334184732.db2.gz HIIACJPVTGVTRE-GFCCVEGCSA-N 0 1 299.336 3.674 20 0 CHADMN CC[C@@H]1CN(Cc2ncc(C)o2)CC[C@H]1c1ccccc1 ZINC000245407533 334190045 /nfs/dbraw/zinc/19/00/45/334190045.db2.gz BNAJJEZDNRRZFB-NVXWUHKLSA-N 0 1 284.403 3.999 20 0 CHADMN CCc1ccc(CN(C)[C@H](C)c2ccc(OC)cc2)nc1 ZINC000549343036 334190546 /nfs/dbraw/zinc/19/05/46/334190546.db2.gz VVOGJKYXOVCSFX-CQSZACIVSA-N 0 1 284.403 3.846 20 0 CHADMN CCN(Cc1csc([C@@H](C)OC)n1)[C@H](C)C(C)C ZINC000245468667 334195756 /nfs/dbraw/zinc/19/57/56/334195756.db2.gz KYJSIXUWGKKDOC-VXGBXAGGSA-N 0 1 270.442 3.717 20 0 CHADMN CC(C)CO[C@H]1CCN([C@H](C)c2nc3ccccc3o2)C1 ZINC000245540301 334202088 /nfs/dbraw/zinc/20/20/88/334202088.db2.gz IIBWGXXGKXGWCH-KGLIPLIRSA-N 0 1 288.391 3.636 20 0 CHADMN Cc1sccc1CN1CCC[C@H](OCC(F)(F)F)C1 ZINC000549709910 334202362 /nfs/dbraw/zinc/20/23/62/334202362.db2.gz XCWVIVHBSMYCQO-LBPRGKRZSA-N 0 1 293.354 3.600 20 0 CHADMN CC(C)COc1ccccc1CN(C)C[C@@H]1CCCCO1 ZINC000549779981 334204754 /nfs/dbraw/zinc/20/47/54/334204754.db2.gz QTGCURIABHRUAZ-KRWDZBQOSA-N 0 1 291.435 3.722 20 0 CHADMN CC(C)C[C@@H]1CCCCN1C(=O)c1[nH]nc2ccccc21 ZINC000138330960 334207988 /nfs/dbraw/zinc/20/79/88/334207988.db2.gz LZLWWUWBAPGHCR-ZDUSSCGKSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1ccc(F)cn1)C(C)(C)C2 ZINC000550001632 334211134 /nfs/dbraw/zinc/21/11/34/334211134.db2.gz VAMIVAQFSUHXGS-UHFFFAOYSA-N 0 1 284.378 3.866 20 0 CHADMN FC[C@H]1CCCN1CCOc1ccc2ccccc2c1 ZINC000550032747 334211695 /nfs/dbraw/zinc/21/16/95/334211695.db2.gz VVNKJJOSHQCOHA-MRXNPFEDSA-N 0 1 273.351 3.653 20 0 CHADMN CSCc1cnc(CN[C@@H](C)Cc2ccsc2)s1 ZINC000550106353 334213398 /nfs/dbraw/zinc/21/33/98/334213398.db2.gz OIGQUQURZDRGII-JTQLQIEISA-N 0 1 298.502 3.788 20 0 CHADMN Cc1sccc1CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000550142843 334214195 /nfs/dbraw/zinc/21/41/95/334214195.db2.gz JUSBIDLVSPHGGB-NSHDSACASA-N 0 1 263.410 3.685 20 0 CHADMN Fc1ccccc1[C@@H]1CN(C[C@@H]2CC=CCC2)CCO1 ZINC000245738367 334216479 /nfs/dbraw/zinc/21/64/79/334216479.db2.gz LIFFICOOOXHIHJ-PBHICJAKSA-N 0 1 275.367 3.555 20 0 CHADMN CCc1noc(C)c1CNC/C=C\c1ccc(F)c(F)c1 ZINC000550240283 334217208 /nfs/dbraw/zinc/21/72/08/334217208.db2.gz VQHYLKAIMDGTIE-PLNGDYQASA-N 0 1 292.329 3.627 20 0 CHADMN CCc1ccc(N[C@H](c2c[nH]nn2)c2ccc(F)cc2)cc1 ZINC000550937063 334234348 /nfs/dbraw/zinc/23/43/48/334234348.db2.gz ANPRHQQWJLLBHP-KRWDZBQOSA-N 0 1 296.349 3.708 20 0 CHADMN C[C@@H]1CO[C@H](c2ccccc2)CN1C[C@@H]1CCC(F)(F)C1 ZINC000551094550 334238367 /nfs/dbraw/zinc/23/83/67/334238367.db2.gz AJJZHQVORVKEFU-FMKPAKJESA-N 0 1 295.373 3.884 20 0 CHADMN CC[C@@]1(C)CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000551195106 334240647 /nfs/dbraw/zinc/24/06/47/334240647.db2.gz ZDEPBAJVFOTNBN-SFHVURJKSA-N 0 1 297.402 3.729 20 0 CHADMN CC(F)(F)CN[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000551240808 334242368 /nfs/dbraw/zinc/24/23/68/334242368.db2.gz HVDADNQAGKTBPH-ZIAGYGMSSA-N 0 1 253.336 3.643 20 0 CHADMN Cc1cc([C@@H](C)NC[C@]2(C)C[C@H]2c2ccccc2)no1 ZINC000551243629 334242750 /nfs/dbraw/zinc/24/27/50/334242750.db2.gz KLMHYRDODJELIQ-KMFMINBZSA-N 0 1 270.376 3.827 20 0 CHADMN C[C@@H]1CO[C@H](c2ccccc2)CN1[C@@H]1C=CCCC1 ZINC000246244442 334245296 /nfs/dbraw/zinc/24/52/96/334245296.db2.gz JYOUZJCINQBDGS-OIISXLGYSA-N 0 1 257.377 3.557 20 0 CHADMN COc1cc(C)ccc1[C@H](C)N[C@H]1CCC[C@H]1F ZINC000551301205 334245629 /nfs/dbraw/zinc/24/56/29/334245629.db2.gz GYNZVBIPYGTIPF-YUTCNCBUSA-N 0 1 251.345 3.545 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CCCCCF)[C@@H](C)CO1 ZINC000551387176 334248816 /nfs/dbraw/zinc/24/88/16/334248816.db2.gz WGBALTVQALHNGM-RDJZCZTQSA-N 0 1 279.399 3.897 20 0 CHADMN CC[N@@H+](CCn1cc(C)cn1)Cc1ccc2ccccc2c1 ZINC000551697042 334258018 /nfs/dbraw/zinc/25/80/18/334258018.db2.gz UIQDSGAYCXBOAR-UHFFFAOYSA-N 0 1 293.414 3.867 20 0 CHADMN CCOC[C@H]1CCCN([C@H](C)c2cc(F)ccc2F)C1 ZINC000247119458 334276026 /nfs/dbraw/zinc/27/60/26/334276026.db2.gz YTJFDVNEXVXCIC-OLZOCXBDSA-N 0 1 283.362 3.774 20 0 CHADMN Cc1nc(C2(NCC(C(C)C)C(C)C)CCCC2)no1 ZINC000551787144 334261036 /nfs/dbraw/zinc/26/10/36/334261036.db2.gz AXLCSCSLYCVDPF-UHFFFAOYSA-N 0 1 279.428 3.665 20 0 CHADMN CCn1c2ccccc2nc1C[N@@H+](CC)C1CCCC1 ZINC000551824934 334263512 /nfs/dbraw/zinc/26/35/12/334263512.db2.gz AQJJGHWCAWNKHB-UHFFFAOYSA-N 0 1 271.408 3.821 20 0 CHADMN CC[C@@H](C)CN(C)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000246688902 334267094 /nfs/dbraw/zinc/26/70/94/334267094.db2.gz KCTOXYIMOKNQCN-ZIAGYGMSSA-N 0 1 287.407 3.699 20 0 CHADMN CC1=CC[C@@H](N[C@@H](c2nccn2C)c2ccccc2)CC1 ZINC000551983368 334269021 /nfs/dbraw/zinc/26/90/21/334269021.db2.gz IDAJKSJZQFRDSL-IAGOWNOFSA-N 0 1 281.403 3.598 20 0 CHADMN CC(C)n1ccc(CN2CCC[C@@H]3CCCC[C@H]32)n1 ZINC000246819139 334270004 /nfs/dbraw/zinc/27/00/04/334270004.db2.gz BWOQOAPGBODSCG-GOEBONIOSA-N 0 1 261.413 3.619 20 0 CHADMN Cc1ccccc1[C@@H](C)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000247170407 334276905 /nfs/dbraw/zinc/27/69/05/334276905.db2.gz SMSPFIYRIQQBTE-DNVCBOLYSA-N 0 1 297.398 3.835 20 0 CHADMN CCc1noc([C@@H](C)N2CCC[C@](C)(c3ccccc3)C2)n1 ZINC000247472994 334282392 /nfs/dbraw/zinc/28/23/92/334282392.db2.gz RWIADFZUBJMWNV-KDOFPFPSSA-N 0 1 299.418 3.747 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CCCC[C@H](C)C1 ZINC000248541674 334305499 /nfs/dbraw/zinc/30/54/99/334305499.db2.gz CBMSJNKLOKMDTF-NWDGAFQWSA-N 0 1 265.401 3.550 20 0 CHADMN Oc1ccc(Cl)cc1-c1nc([C@H]2Cc3ccccc32)no1 ZINC000086492404 334310470 /nfs/dbraw/zinc/31/04/70/334310470.db2.gz JJWUBJCMFLJNFX-LBPRGKRZSA-N 0 1 298.729 3.784 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@H]1CC2CCC1CC2 ZINC000552405462 334324101 /nfs/dbraw/zinc/32/41/01/334324101.db2.gz CSFNIWVHNWCUIC-RTBKNWGFSA-N 0 1 297.757 3.950 20 0 CHADMN CC[C@@H](C)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000249273177 334330804 /nfs/dbraw/zinc/33/08/04/334330804.db2.gz LAWZLEUMTXBRRD-BXUZGUMPSA-N 0 1 287.325 3.877 20 0 CHADMN CCC[C@H](C)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000249414133 334333533 /nfs/dbraw/zinc/33/35/33/334333533.db2.gz YSVZQEYCEVNQJV-SCRDCRAPSA-N 0 1 253.411 3.699 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000088256168 334334698 /nfs/dbraw/zinc/33/46/98/334334698.db2.gz IWWMKKYVJDKSBP-LLVKDONJSA-N 0 1 281.783 3.588 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCCCCC(=O)[O-] ZINC000572533152 334354574 /nfs/dbraw/zinc/35/45/74/334354574.db2.gz URVLMNKCZLWJKI-NSHDSACASA-N 0 1 285.334 3.603 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)NCc1cc[nH]c1 ZINC000090994605 334370612 /nfs/dbraw/zinc/37/06/12/334370612.db2.gz HGFYSOVJDLWPJU-ZDUSSCGKSA-N 0 1 258.365 3.653 20 0 CHADMN COc1ccc(CNCc2ccc3ncccc3c2)c(F)c1 ZINC000553513684 334389414 /nfs/dbraw/zinc/38/94/14/334389414.db2.gz BIBRYIAOAKUEFU-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN CCOc1cccc(CN[C@H]2c3ccccc3O[C@@H]2C)c1 ZINC000554723799 334448781 /nfs/dbraw/zinc/44/87/81/334448781.db2.gz RONXIDLVTLWDOV-FZKQIMNGSA-N 0 1 283.371 3.697 20 0 CHADMN CC[C@H](NCc1cccc(C)n1)c1cc(C)ccc1OC ZINC000093399720 334463483 /nfs/dbraw/zinc/46/34/83/334463483.db2.gz YSXRIMIFFGICFQ-KRWDZBQOSA-N 0 1 284.403 3.948 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2ccoc2)c1 ZINC000094867727 334506516 /nfs/dbraw/zinc/50/65/16/334506516.db2.gz NFOKQXGGWAQSOS-VXGBXAGGSA-N 0 1 272.348 3.650 20 0 CHADMN C/C(=C\c1ccccc1)CN[C@H](c1ccccc1F)[C@H](C)O ZINC000565308193 334551260 /nfs/dbraw/zinc/55/12/60/334551260.db2.gz QJJYMYFXMRVMIB-CLACUTIQSA-N 0 1 299.389 3.941 20 0 CHADMN C[C@H]1CCN[C@@H](c2nc(-c3cccc4ccccc43)no2)C1 ZINC000262515445 334552842 /nfs/dbraw/zinc/55/28/42/334552842.db2.gz NMBIQOTYBOQJHY-BLLLJJGKSA-N 0 1 293.370 3.950 20 0 CHADMN Fc1ccc(CN2CCC(C3CCOCC3)CC2)c(F)c1 ZINC000153525245 334613220 /nfs/dbraw/zinc/61/32/20/334613220.db2.gz PSJNRYOUCZUZPF-UHFFFAOYSA-N 0 1 295.373 3.603 20 0 CHADMN CSc1ccc(CN2CCC(C(F)F)CC2)s1 ZINC000566710360 334661355 /nfs/dbraw/zinc/66/13/55/334661355.db2.gz WFSSYBIVUGSTGY-UHFFFAOYSA-N 0 1 277.405 3.947 20 0 CHADMN C[C@H](NCc1cccnc1N(C)C)c1ccc(Cl)cc1 ZINC000154793662 334704926 /nfs/dbraw/zinc/70/49/26/334704926.db2.gz DZRWEGZZRGVGBI-LBPRGKRZSA-N 0 1 289.810 3.652 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2nnc(-c3ccccc3)s2)C1 ZINC000155090098 334712881 /nfs/dbraw/zinc/71/28/81/334712881.db2.gz MTDSSLOCCHGVRF-STQMWFEESA-N 0 1 287.432 3.683 20 0 CHADMN CC(C)(C)c1cnc(CN[C@H]2C=CCCC2)s1 ZINC000567557323 334733107 /nfs/dbraw/zinc/73/31/07/334733107.db2.gz UCZLWVMAFKFXHR-NSHDSACASA-N 0 1 250.411 3.639 20 0 CHADMN CCCOc1ccc(CN[C@@H](CCC)c2ccccn2)cn1 ZINC000159061424 334818905 /nfs/dbraw/zinc/81/89/05/334818905.db2.gz AROUEMVAOSAMPH-INIZCTEOSA-N 0 1 299.418 3.896 20 0 CHADMN COCc1nc(CNCCC2CCCCCC2)cs1 ZINC000569057642 334852926 /nfs/dbraw/zinc/85/29/26/334852926.db2.gz FNWDRSPWPAJJEG-UHFFFAOYSA-N 0 1 282.453 3.740 20 0 CHADMN CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1ccc(OC)cc1 ZINC000294299442 334894576 /nfs/dbraw/zinc/89/45/76/334894576.db2.gz ZRDYDJPIXDJUAM-VBNZEHGJSA-N 0 1 285.391 3.638 20 0 CHADMN Cc1cccc2c1OC[C@@H](NCc1ccsc1Cl)C2 ZINC000573143242 334912509 /nfs/dbraw/zinc/91/25/09/334912509.db2.gz BMJBZFGBQZVSFT-ZDUSSCGKSA-N 0 1 293.819 3.803 20 0 CHADMN Cc1ccc(C[C@@H](NCc2cc[nH]c2)c2ccccn2)cc1 ZINC000175710682 335195435 /nfs/dbraw/zinc/19/54/35/335195435.db2.gz ACNMZPJGFRUCHI-LJQANCHMSA-N 0 1 291.398 3.792 20 0 CHADMN C[C@@H]1CCCCCN1C(=O)c1[nH]nc2ccc(Cl)cc21 ZINC000576472463 335208837 /nfs/dbraw/zinc/20/88/37/335208837.db2.gz GYKOQFLDPSGTLC-SNVBAGLBSA-N 0 1 291.782 3.621 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCC[C@H]2c2ccsc2)cs1 ZINC000576589713 335223423 /nfs/dbraw/zinc/22/34/23/335223423.db2.gz BUHNSNUEGOGQNR-LBPRGKRZSA-N 0 1 293.413 3.845 20 0 CHADMN CC(C)n1cncc1CN(C)[C@H]1CCCc2ccccc21 ZINC000576746373 335242402 /nfs/dbraw/zinc/24/24/02/335242402.db2.gz HSGFNLQYMDFUTR-SFHVURJKSA-N 0 1 283.419 3.973 20 0 CHADMN CCOCc1nc([C@H](C)N[C@H](CC)C2CCCCC2)no1 ZINC000576747880 335242617 /nfs/dbraw/zinc/24/26/17/335242617.db2.gz QDQDFIRWHPWETL-GXTWGEPZSA-N 0 1 295.427 3.616 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@@H]1CCSc2ccccc21 ZINC000576766970 335245618 /nfs/dbraw/zinc/24/56/18/335245618.db2.gz CSJJQGXOFQUOMW-SWLSCSKDSA-N 0 1 285.416 3.673 20 0 CHADMN CC[C@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccn(C)n1 ZINC000576823331 335252158 /nfs/dbraw/zinc/25/21/58/335252158.db2.gz XQYKIHDIFHRREH-SDDRHHMPSA-N 0 1 289.345 3.582 20 0 CHADMN CC[C@H](NCc1cc(C)cs1)c1ccc(F)cn1 ZINC000344604674 335259251 /nfs/dbraw/zinc/25/92/51/335259251.db2.gz BFXZGPKOFAJFKN-ZDUSSCGKSA-N 0 1 264.369 3.832 20 0 CHADMN CCOC[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000176320204 335262041 /nfs/dbraw/zinc/26/20/41/335262041.db2.gz GMPNGLBJIAHXQS-LLVKDONJSA-N 0 1 288.218 3.852 20 0 CHADMN CC(C)(C)[C@@H](N[C@H]1CCn2ccnc21)c1ccccc1 ZINC000345356383 335317562 /nfs/dbraw/zinc/31/75/62/335317562.db2.gz UYJBKYRZVHRWHK-GJZGRUSLSA-N 0 1 269.392 3.705 20 0 CHADMN C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000577286884 335335516 /nfs/dbraw/zinc/33/55/16/335335516.db2.gz WWDDERRMVVKEOS-BXUZGUMPSA-N 0 1 281.783 3.588 20 0 CHADMN Fc1cccc(F)c1-c1ccc(CN[C@H]2C[C@@H]2C(F)F)o1 ZINC000577417712 335350725 /nfs/dbraw/zinc/35/07/25/335350725.db2.gz WIWBMSCEAPSZBA-CABZTGNLSA-N 0 1 299.267 3.968 20 0 CHADMN COc1ncc(CNCc2cc(C)sc2C)cc1Cl ZINC000577458687 335354205 /nfs/dbraw/zinc/35/42/05/335354205.db2.gz UPYNHXJDCKEUCK-UHFFFAOYSA-N 0 1 296.823 3.712 20 0 CHADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+]1CCC2(C1)CCCCC2 ZINC000577499602 335359984 /nfs/dbraw/zinc/35/99/84/335359984.db2.gz CTPKLSIUFYBUAR-INIZCTEOSA-N 0 1 287.403 3.777 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000577499896 335360099 /nfs/dbraw/zinc/36/00/99/335360099.db2.gz KSSBNGLPLGHFOT-PJIJBLCYSA-N 0 1 297.398 3.943 20 0 CHADMN CC[C@@H]1CCCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000577538282 335366285 /nfs/dbraw/zinc/36/62/85/335366285.db2.gz JMICJCRNXSUKDQ-CQSZACIVSA-N 0 1 285.391 3.749 20 0 CHADMN CCn1cc([C@H](C)NCc2cc3cc(C)ccc3o2)cn1 ZINC000577585064 335373732 /nfs/dbraw/zinc/37/37/32/335373732.db2.gz WVDBZFLGGHAGIA-ZDUSSCGKSA-N 0 1 283.375 3.808 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)s2)C[C@@H]1C(=O)[O-] ZINC000577633651 335383412 /nfs/dbraw/zinc/38/34/12/335383412.db2.gz RQZYDHIGHUQCHA-YPMHNXCESA-N 0 1 295.448 3.588 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000178590154 335439474 /nfs/dbraw/zinc/43/94/74/335439474.db2.gz PVMZPKSJKVFUOD-NXEZZACHSA-N 0 1 295.789 3.933 20 0 CHADMN c1ccc2c(CNCc3ccc4c(c3)CCCC4)noc2c1 ZINC000578025829 335465534 /nfs/dbraw/zinc/46/55/34/335465534.db2.gz FENQBEGKPPUNAA-UHFFFAOYSA-N 0 1 292.382 3.996 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cn3ccccc3n2)c(C)c1 ZINC000578205285 335557586 /nfs/dbraw/zinc/55/75/86/335557586.db2.gz LMBJGFMSNYACEJ-AWEZNQCLSA-N 0 1 295.386 3.502 20 0 CHADMN COc1ccc(Cl)c(CN2CCC(OC(C)C)CC2)c1 ZINC000578939260 335691215 /nfs/dbraw/zinc/69/12/15/335691215.db2.gz GHGYLNQDYKUKRA-UHFFFAOYSA-N 0 1 297.826 3.738 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@@H](C)c1ccoc1 ZINC000181401893 335760712 /nfs/dbraw/zinc/76/07/12/335760712.db2.gz YEWZVSJMRADZFM-NWDGAFQWSA-N 0 1 275.396 3.951 20 0 CHADMN COCCCOc1cccc(CN[C@@H](C)c2ccoc2)c1 ZINC000181602015 335773323 /nfs/dbraw/zinc/77/33/23/335773323.db2.gz YGGYWQCTWATOAU-AWEZNQCLSA-N 0 1 289.375 3.546 20 0 CHADMN CC[C@H](NCc1c(F)cccc1Cl)[C@@H]1CCCO1 ZINC000182357766 335813052 /nfs/dbraw/zinc/81/30/52/335813052.db2.gz DOTJLCPQFJZIRL-KBPBESRZSA-N 0 1 271.763 3.526 20 0 CHADMN C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1nccn1C ZINC000182815692 335844920 /nfs/dbraw/zinc/84/49/20/335844920.db2.gz OVCAURNISPVINS-MLGOLLRUSA-N 0 1 287.382 3.751 20 0 CHADMN CCc1cccc(OCCN[C@H](CC)c2nccs2)c1 ZINC000185062169 335945145 /nfs/dbraw/zinc/94/51/45/335945145.db2.gz HAJBGNYXLDBZAB-OAHLLOKOSA-N 0 1 290.432 3.825 20 0 CHADMN Cc1cnc(CN[C@H](C)[C@@H](C)C2CCCCC2)o1 ZINC000185527950 335953166 /nfs/dbraw/zinc/95/31/66/335953166.db2.gz FNWHMQUMDLFMIB-CHWSQXEVSA-N 0 1 250.386 3.678 20 0 CHADMN CC(C)CO[C@@H]1CCN(Cc2sccc2Cl)C1 ZINC000194433871 336022119 /nfs/dbraw/zinc/02/21/19/336022119.db2.gz UXDHGKCZQIXDFA-LLVKDONJSA-N 0 1 273.829 3.648 20 0 CHADMN Clc1ccsc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000581298269 336040895 /nfs/dbraw/zinc/04/08/95/336040895.db2.gz TWTUZNCIHSALLH-NEPJUHHUSA-N 0 1 285.840 3.650 20 0 CHADMN CC[C@H]1CCCN(Cc2ccsc2C(=O)OC)CC1 ZINC000381099051 336050209 /nfs/dbraw/zinc/05/02/09/336050209.db2.gz ABSHXHALFAFSHK-LBPRGKRZSA-N 0 1 281.421 3.547 20 0 CHADMN COC(=O)c1sccc1CN1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000381126665 336051138 /nfs/dbraw/zinc/05/11/38/336051138.db2.gz MYQCPZQFYWMAOO-CHWSQXEVSA-N 0 1 293.432 3.545 20 0 CHADMN CC(C)c1ccc([C@@H](C)N(C)CC(=O)NC(C)(C)C)cc1 ZINC000195732491 336059040 /nfs/dbraw/zinc/05/90/40/336059040.db2.gz LSZVIWVFIUXWQY-CQSZACIVSA-N 0 1 290.451 3.718 20 0 CHADMN COC(=O)c1cccc(CN2CCC[C@@H](C)[C@H]2C)c1Cl ZINC000381748860 336072221 /nfs/dbraw/zinc/07/22/21/336072221.db2.gz VPOBXSORFRXYGP-VXGBXAGGSA-N 0 1 295.810 3.747 20 0 CHADMN C[C@H](O)[C@H](N[C@@H]1CCCc2ccccc21)c1ccccc1F ZINC000581434331 336077052 /nfs/dbraw/zinc/07/70/52/336077052.db2.gz RYORRQXKHDDQND-BKTGTZMESA-N 0 1 299.389 3.915 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1Cl ZINC000381920519 336077398 /nfs/dbraw/zinc/07/73/98/336077398.db2.gz OESUNKUNDAQCDM-RISCZKNCSA-N 0 1 293.794 3.803 20 0 CHADMN Cc1nsc(C)c1CN1CCC[C@@H]1c1cccc(C)n1 ZINC000581436868 336077752 /nfs/dbraw/zinc/07/77/52/336077752.db2.gz FWZGKXTVNSQIPV-MRXNPFEDSA-N 0 1 287.432 3.800 20 0 CHADMN C[C@H]1CC[N@H+](Cc2cccc([O-])c2Cl)C[C@H]1C ZINC000383168463 336105352 /nfs/dbraw/zinc/10/53/52/336105352.db2.gz NFGSVBPAEQXXDT-WDEREUQCSA-N 0 1 253.773 3.524 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cccc([O-])c2Cl)C[C@H]1C ZINC000383168463 336105354 /nfs/dbraw/zinc/10/53/54/336105354.db2.gz NFGSVBPAEQXXDT-WDEREUQCSA-N 0 1 253.773 3.524 20 0 CHADMN Cc1nnsc1CN[C@H](C)c1ccc(C(C)C)cc1 ZINC000384274047 336123085 /nfs/dbraw/zinc/12/30/85/336123085.db2.gz SDYATPZRWQGIPQ-LLVKDONJSA-N 0 1 275.421 3.821 20 0 CHADMN CC(C)C[C@H]1CCN(Cc2cc(C(C)(C)C)on2)C1 ZINC000581695323 336129062 /nfs/dbraw/zinc/12/90/62/336129062.db2.gz DDDQWAMBKBSCTE-CYBMUJFWSA-N 0 1 264.413 3.840 20 0 CHADMN CCc1ccccc1CN(C)Cc1cccc(C)n1 ZINC000581705773 336132061 /nfs/dbraw/zinc/13/20/61/336132061.db2.gz RJZPRASCECKJFR-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN CC/C=C\CNCc1sccc1Br ZINC000384948975 336135143 /nfs/dbraw/zinc/13/51/43/336135143.db2.gz VDNDVXVZRHPXFF-ARJAWSKDSA-N 0 1 260.200 3.566 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCC[C@@H]2C2CCCCC2)c1 ZINC000581731639 336139339 /nfs/dbraw/zinc/13/93/39/336139339.db2.gz JMTMRNIJQGXGMP-OAHLLOKOSA-N 0 1 277.364 3.523 20 0 CHADMN C[C@H](C1CC1)[N@@H+](CCCCCC(=O)[O-])Cc1ccccc1 ZINC000385211366 336142272 /nfs/dbraw/zinc/14/22/72/336142272.db2.gz XCKZFIWIEFPXEX-OAHLLOKOSA-N 0 1 289.419 3.932 20 0 CHADMN C[C@H](N[C@@H](C)[C@@H]1CCCO1)c1c(F)cccc1Cl ZINC000386419615 336173112 /nfs/dbraw/zinc/17/31/12/336173112.db2.gz ZFYYIKKHEXEBGM-KWBADKCTSA-N 0 1 271.763 3.697 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000581949242 336175159 /nfs/dbraw/zinc/17/51/59/336175159.db2.gz UQXHWDFDWZSZDZ-HIFRSBDPSA-N 0 1 299.370 3.746 20 0 CHADMN C[C@@H]1CCCN1Cc1ccc(F)cc1C(F)(F)F ZINC000353609375 533718579 /nfs/dbraw/zinc/71/85/79/533718579.db2.gz NHVVYBVMEJHKBR-SECBINFHSA-N 0 1 261.262 3.829 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN(CCCO)Cc2ccccc2)o1 ZINC000353357111 533744797 /nfs/dbraw/zinc/74/47/97/533744797.db2.gz WGOXFTGUZYYUNG-QAPCUYQASA-N 0 1 299.414 3.788 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@@H](C)c1ccncc1F ZINC000340359285 522115676 /nfs/dbraw/zinc/11/56/76/522115676.db2.gz OLLYWPGMBHBIOE-DTWKUNHWSA-N 0 1 264.266 3.602 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1nc(C(C)C)no1)C1CC1 ZINC000064809230 522352994 /nfs/dbraw/zinc/35/29/94/522352994.db2.gz LJSCGHFFMSKIGS-NEPJUHHUSA-N 0 1 265.401 3.592 20 0 CHADMN COc1ccc(Cl)cc1CN(C)CC[C@H](C)F ZINC000352102068 533849970 /nfs/dbraw/zinc/84/99/70/533849970.db2.gz HYMGPFVLAAOILO-JTQLQIEISA-N 0 1 259.752 3.529 20 0 CHADMN C[C@H](NCc1cccc(F)c1F)c1ccc2n[nH]cc2c1 ZINC000353109389 533927487 /nfs/dbraw/zinc/92/74/87/533927487.db2.gz JSZBCPBUYDXFBK-JTQLQIEISA-N 0 1 287.313 3.692 20 0 CHADMN Cc1cc2cc(CN[C@H](C)c3ccc(F)cn3)ccc2[nH]1 ZINC000353801956 534092657 /nfs/dbraw/zinc/09/26/57/534092657.db2.gz GWVFOAZISUJDPB-GFCCVEGCSA-N 0 1 283.350 3.861 20 0 CHADMN C[C@@H]1CC[C@@H](c2nc(C3(N)CCCCC3)no2)C[C@@H]1C ZINC000331704687 534198023 /nfs/dbraw/zinc/19/80/23/534198023.db2.gz XSZXZNABRIKGQL-FRRDWIJNSA-N 0 1 277.412 3.727 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1ccccc1C ZINC000353137958 534329175 /nfs/dbraw/zinc/32/91/75/534329175.db2.gz MPMMJJZCKWWSEJ-UHFFFAOYSA-N 0 1 258.365 3.625 20 0 CHADMN CC(C)C[C@@H](N)c1noc(CCc2ccc(Cl)cc2)n1 ZINC000339386564 519233101 /nfs/dbraw/zinc/23/31/01/519233101.db2.gz YGNLAUFVBWYLSY-CYBMUJFWSA-N 0 1 293.798 3.554 20 0 CHADMN CC(C)C[C@@H](N)c1noc(Cc2cccc3ccccc32)n1 ZINC000339399346 519234811 /nfs/dbraw/zinc/23/48/11/519234811.db2.gz ZSAMMRBOJOVWTR-MRXNPFEDSA-N 0 1 295.386 3.860 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H](C)Cc2ccccc2F)n1 ZINC000339384251 519236349 /nfs/dbraw/zinc/23/63/49/519236349.db2.gz FZFHHQCPXKQBBG-SMDDNHRTSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)C[C@@H]1COCCN1Cc1coc2ccccc12 ZINC000353607968 519276702 /nfs/dbraw/zinc/27/67/02/519276702.db2.gz CKWYGTXWJKFXPE-OAHLLOKOSA-N 0 1 273.376 3.680 20 0 CHADMN CC(C)(Cc1ccc(C(F)(F)F)cc1)NCc1cocn1 ZINC000277102267 519286209 /nfs/dbraw/zinc/28/62/09/519286209.db2.gz WOGGMTYDSPTHRM-UHFFFAOYSA-N 0 1 298.308 3.804 20 0 CHADMN Cc1ccncc1CNCc1ccccc1OC1CCC1 ZINC000354349495 534417393 /nfs/dbraw/zinc/41/73/93/534417393.db2.gz SPWVZWUURIAORP-UHFFFAOYSA-N 0 1 282.387 3.611 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000339396943 519372472 /nfs/dbraw/zinc/37/24/72/519372472.db2.gz QFNVDAJLIISEFF-NSHDSACASA-N 0 1 299.296 3.801 20 0 CHADMN CC(C)C[C@H](N)c1noc(C[C@@H](C)c2ccc(F)cc2)n1 ZINC000339398983 519375171 /nfs/dbraw/zinc/37/51/71/519375171.db2.gz XSAARPDASXVBIH-RISCZKNCSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)C[C@H](N)c1noc(C[C@H](C)c2cccc(F)c2)n1 ZINC000339398767 519375752 /nfs/dbraw/zinc/37/57/52/519375752.db2.gz XGIIQPLULAXTMH-FZMZJTMJSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)Cn1ccnc1NCc1c[nH]nc1-c1ccccc1 ZINC000280968115 519527287 /nfs/dbraw/zinc/52/72/87/519527287.db2.gz KFUHYNKUDYMLCE-UHFFFAOYSA-N 0 1 295.390 3.541 20 0 CHADMN CC(C)C1(NCc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000293031647 519557248 /nfs/dbraw/zinc/55/72/48/519557248.db2.gz PVOMJRDGVHRBML-UHFFFAOYSA-N 0 1 291.782 3.668 20 0 CHADMN CC(C)N(Cc1c[nH]c2nccnc12)Cc1ccccc1F ZINC000290321636 519653290 /nfs/dbraw/zinc/65/32/90/519653290.db2.gz BTCZZIBGRJTFFW-UHFFFAOYSA-N 0 1 298.365 3.508 20 0 CHADMN CC(C)CN(C)Cc1ncc(-c2ccccc2F)o1 ZINC000265992802 519708843 /nfs/dbraw/zinc/70/88/43/519708843.db2.gz KLWRKZPZAVASKE-UHFFFAOYSA-N 0 1 262.328 3.569 20 0 CHADMN CC(=O)Nc1nc(CN(CC(C)C)C2CCCC2)cs1 ZINC000299461976 519752511 /nfs/dbraw/zinc/75/25/11/519752511.db2.gz ZLFCTPJPIYIHIZ-UHFFFAOYSA-N 0 1 295.452 3.502 20 0 CHADMN CC(C)OCCCN1CCc2c(Cl)cccc2C1 ZINC000157267907 519762869 /nfs/dbraw/zinc/76/28/69/519762869.db2.gz FXSBUCHVBLELNQ-UHFFFAOYSA-N 0 1 267.800 3.513 20 0 CHADMN CC(C)O[C@H](CN(C)Cc1cccnc1)c1ccccc1 ZINC000293195751 519777298 /nfs/dbraw/zinc/77/72/98/519777298.db2.gz OQVIITWPMRHQSG-GOSISDBHSA-N 0 1 284.403 3.680 20 0 CHADMN CC(C)Oc1ccc([C@@H](C)NCc2cncs2)cc1 ZINC000054770582 519781513 /nfs/dbraw/zinc/78/15/13/519781513.db2.gz KUCLMRWWUPJWBX-GFCCVEGCSA-N 0 1 276.405 3.781 20 0 CHADMN CC(C)[C@@H](NCc1ccn(C(C)C)n1)c1ccccc1 ZINC000265359015 519799349 /nfs/dbraw/zinc/79/93/49/519799349.db2.gz WIFKKWHHEIFQHT-QGZVFWFLSA-N 0 1 271.408 3.951 20 0 CHADMN CC(C)[C@H]1CN([C@@H](C)c2nc3ccccc3o2)CCCO1 ZINC000293098579 519827042 /nfs/dbraw/zinc/82/70/42/519827042.db2.gz KWANWZJYIACMEQ-XJKSGUPXSA-N 0 1 288.391 3.636 20 0 CHADMN CC(C)c1nc(CN([C@@H](C)c2ccccc2)C2CC2)n[nH]1 ZINC000292542804 519862010 /nfs/dbraw/zinc/86/20/10/519862010.db2.gz QBTJJLLRKVUZDQ-ZDUSSCGKSA-N 0 1 284.407 3.654 20 0 CHADMN CC(C)c1nc(CN[C@H](C)c2ccc3c(c2)CCCC3)n[nH]1 ZINC000293159655 519864354 /nfs/dbraw/zinc/86/43/54/519864354.db2.gz MVQJLCJASDTLFF-CYBMUJFWSA-N 0 1 298.434 3.658 20 0 CHADMN CC(C)c1nc([C@@H](C)Nc2ccc(C(F)(F)F)cn2)n[nH]1 ZINC000276544914 519866301 /nfs/dbraw/zinc/86/63/01/519866301.db2.gz DPNDYHDDGZUCOB-MRVPVSSYSA-N 0 1 299.300 3.515 20 0 CHADMN CC(C)c1noc([C@H](C)N2CC[C@@H](c3ccccc3)C2)n1 ZINC000250200325 519910182 /nfs/dbraw/zinc/91/01/82/519910182.db2.gz CCSSQLINAAEJSZ-DZGCQCFKSA-N 0 1 285.391 3.744 20 0 CHADMN CC(C)n1ccc(CN(C)C[C@H](C)c2ccccc2)n1 ZINC000265231020 519996395 /nfs/dbraw/zinc/99/63/95/519996395.db2.gz BSAUZTWYNZNGJK-HNNXBMFYSA-N 0 1 271.408 3.700 20 0 CHADMN CC(C)n1ccc(CN(C)C[C@@H](C)c2ccccc2)n1 ZINC000265231021 519997231 /nfs/dbraw/zinc/99/72/31/519997231.db2.gz BSAUZTWYNZNGJK-OAHLLOKOSA-N 0 1 271.408 3.700 20 0 CHADMN CC(C)n1nccc1CN1CC=C(C(C)(C)C)CC1 ZINC000337172659 520102193 /nfs/dbraw/zinc/10/21/93/520102193.db2.gz FQVZLJSFYFVKDO-UHFFFAOYSA-N 0 1 261.413 3.642 20 0 CHADMN CC(C)n1nccc1CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000280055228 520109109 /nfs/dbraw/zinc/10/91/09/520109109.db2.gz WIPRMRGBYSBWDO-NSHDSACASA-N 0 1 279.334 3.593 20 0 CHADMN CCCNc1ccc(CNCc2ccc(COC)o2)cc1 ZINC000277492708 520160179 /nfs/dbraw/zinc/16/01/79/520160179.db2.gz NZPYKJXZHBTGOA-UHFFFAOYSA-N 0 1 288.391 3.538 20 0 CHADMN CCCCC[C@H](NCc1nccn1C)c1ccccc1 ZINC000071141183 520312363 /nfs/dbraw/zinc/31/23/63/520312363.db2.gz PRCVDMQYXUCZIR-INIZCTEOSA-N 0 1 271.408 3.831 20 0 CHADMN CC1(C)CN(Cc2ccccc2)[C@@H]1c1cccnc1 ZINC000292793079 520482080 /nfs/dbraw/zinc/48/20/80/520482080.db2.gz MQMPRGQCVIYDRU-MRXNPFEDSA-N 0 1 252.361 3.665 20 0 CHADMN CCCCN(Cc1ccccc1Cl)C(=O)c1cnc[nH]1 ZINC000265636811 520544243 /nfs/dbraw/zinc/54/42/43/520544243.db2.gz QSMPEMMGYMWJPU-UHFFFAOYSA-N 0 1 291.782 3.506 20 0 CHADMN CCCCN(Cc1nnc(-c2cc(C)oc2C)o1)C1CC1 ZINC000336837106 520549360 /nfs/dbraw/zinc/54/93/60/520549360.db2.gz NBCFAKWBKLJTRC-UHFFFAOYSA-N 0 1 289.379 3.711 20 0 CHADMN CC1(C)C[C@H]1N[C@H](c1ccccc1)c1ccccn1 ZINC000045115469 520572005 /nfs/dbraw/zinc/57/20/05/520572005.db2.gz PBCNEZNBEYYBEB-HZPDHXFCSA-N 0 1 252.361 3.559 20 0 CHADMN Cc1ccc2[nH]c(CNCc3cccc4[nH]ccc43)nc2c1 ZINC000344728208 534504069 /nfs/dbraw/zinc/50/40/69/534504069.db2.gz KXWUGDCXJWPPMW-UHFFFAOYSA-N 0 1 290.370 3.642 20 0 CHADMN Cc1ccc2nc(CNCc3cccc4[nH]ccc43)[nH]c2c1 ZINC000344728208 534504079 /nfs/dbraw/zinc/50/40/79/534504079.db2.gz KXWUGDCXJWPPMW-UHFFFAOYSA-N 0 1 290.370 3.642 20 0 CHADMN CCOc1cc(CN(C)[C@@H](C)c2ccco2)ccc1OC ZINC000131075635 520697851 /nfs/dbraw/zinc/69/78/51/520697851.db2.gz PXCAXOKNPLLKLJ-ZDUSSCGKSA-N 0 1 289.375 3.880 20 0 CHADMN CCC[C@@H](OC)c1noc(-c2ccc(O)c(Cl)c2)n1 ZINC000157389468 520811500 /nfs/dbraw/zinc/81/15/00/520811500.db2.gz KNCQPDLFJAKLMD-LLVKDONJSA-N 0 1 282.727 3.583 20 0 CHADMN CCC[C@@H]1CCCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000253552359 520824995 /nfs/dbraw/zinc/82/49/95/520824995.db2.gz UKNQLPLMDDUNAD-ZIAGYGMSSA-N 0 1 299.418 3.909 20 0 CHADMN Fc1cccc(CN2CCC=C(c3ccco3)C2)c1 ZINC000352549868 534518672 /nfs/dbraw/zinc/51/86/72/534518672.db2.gz IKRZXBUGNCEOFX-UHFFFAOYSA-N 0 1 257.308 3.708 20 0 CHADMN CC1=CC[C@H](N[C@@H](c2nccn2C)c2ccc(F)cc2)CC1 ZINC000293495648 520876429 /nfs/dbraw/zinc/87/64/29/520876429.db2.gz BCBLFKZTCVXGSN-DLBZAZTESA-N 0 1 299.393 3.737 20 0 CHADMN CCOc1ccc(CNCc2ccccc2F)cc1OC ZINC000020091178 521003893 /nfs/dbraw/zinc/00/38/93/521003893.db2.gz IMHSQKMOIKKMDP-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN CCC(=O)CCCN(C)[C@@H](C)c1cc(F)ccc1F ZINC000289245079 521071500 /nfs/dbraw/zinc/07/15/00/521071500.db2.gz BACZKYPZVYKKTD-NSHDSACASA-N 0 1 269.335 3.717 20 0 CHADMN CCC[C@](C)(CC)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000280287358 521265564 /nfs/dbraw/zinc/26/55/64/521265564.db2.gz WYAVRGUNCVUWNH-INIZCTEOSA-N 0 1 286.379 3.627 20 0 CHADMN CCN(Cc1cnc(N)s1)Cc1ccc2ccccc2c1 ZINC000340700682 521281570 /nfs/dbraw/zinc/28/15/70/521281570.db2.gz PZVNRRVESVUYHL-UHFFFAOYSA-N 0 1 297.427 3.731 20 0 CHADMN NC1(c2noc(-c3ccc4c(c3)CCC=C4)n2)CCCCC1 ZINC000333571945 534550676 /nfs/dbraw/zinc/55/06/76/534550676.db2.gz MPSHRKLMRWLJIC-UHFFFAOYSA-N 0 1 295.386 3.814 20 0 CHADMN CCN(Cc1ccc(F)cn1)[C@@H](C)c1cccc(O)c1 ZINC000276241838 521316600 /nfs/dbraw/zinc/31/66/00/521316600.db2.gz OMQDBZCWUSAWGE-LBPRGKRZSA-N 0 1 274.339 3.509 20 0 CHADMN CCOc1cccc(CNCc2ccc(CC)o2)c1 ZINC000051724237 521368509 /nfs/dbraw/zinc/36/85/09/521368509.db2.gz IMNRBMAFLCWYEJ-UHFFFAOYSA-N 0 1 259.349 3.531 20 0 CHADMN CCN(Cc1nc(-c2ccccc2)oc1C)C[C@@H](C)OC ZINC000291150500 521445255 /nfs/dbraw/zinc/44/52/55/521445255.db2.gz DQHRHOCKRHJLQT-CYBMUJFWSA-N 0 1 288.391 3.507 20 0 CHADMN CCOc1ccccc1CN[C@H](C)c1cccs1 ZINC000020148174 521505297 /nfs/dbraw/zinc/50/52/97/521505297.db2.gz VGDCWSGVXLKZEF-GFCCVEGCSA-N 0 1 261.390 3.998 20 0 CHADMN CCCc1occc1C(=O)Nc1cccc(Cl)c1O ZINC000336998489 521610819 /nfs/dbraw/zinc/61/08/19/521610819.db2.gz QJFBDPLWKNCONY-UHFFFAOYSA-N 0 1 279.723 3.843 20 0 CHADMN CCCN(Cc1csc(C)n1)[C@H]1C[C@H](OCC)C1(C)C ZINC000340853395 521692705 /nfs/dbraw/zinc/69/27/05/521692705.db2.gz VSFPPZUYXJHMEH-GJZGRUSLSA-N 0 1 296.480 3.867 20 0 CHADMN CCSc1ccccc1[C@H](C)N[C@H](C)c1cnn(C)c1 ZINC000163873956 521779349 /nfs/dbraw/zinc/77/93/49/521779349.db2.gz ODDICFXGKYTCOG-OLZOCXBDSA-N 0 1 289.448 3.944 20 0 CHADMN CCSc1ccccc1[C@@H](C)N[C@@H](C)c1cnn(C)c1 ZINC000163873674 521779755 /nfs/dbraw/zinc/77/97/55/521779755.db2.gz ODDICFXGKYTCOG-QWHCGFSZSA-N 0 1 289.448 3.944 20 0 CHADMN CCc1cccc2c1OCC[C@H]2NCc1cnccc1C ZINC000280959038 521801330 /nfs/dbraw/zinc/80/13/30/521801330.db2.gz SEDGFDJBZOCRDA-QGZVFWFLSA-N 0 1 282.387 3.566 20 0 CHADMN COCC[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccco1 ZINC000272519687 521863100 /nfs/dbraw/zinc/86/31/00/521863100.db2.gz XMQAPKMPBAJKOZ-XHDPSFHLSA-N 0 1 295.329 3.986 20 0 CHADMN CC[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N(C)C ZINC000298463905 521873576 /nfs/dbraw/zinc/87/35/76/521873576.db2.gz YWQFGQMOWJABTQ-SFHVURJKSA-N 0 1 296.414 3.556 20 0 CHADMN CCc1cnc(CNCC2(C(F)(F)F)CCC2)s1 ZINC000353105251 522036895 /nfs/dbraw/zinc/03/68/95/522036895.db2.gz ZIOHPKUMEFKEPJ-UHFFFAOYSA-N 0 1 278.343 3.528 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2ccccc2F)n[nH]1 ZINC000277094933 522051245 /nfs/dbraw/zinc/05/12/45/522051245.db2.gz GQNIHWIOLFFSAD-QJPTWQEYSA-N 0 1 290.386 3.869 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2cccc(C)c2C)n[nH]1 ZINC000277547489 522052237 /nfs/dbraw/zinc/05/22/37/522052237.db2.gz ZSPYDRVNNCXWIR-FZMZJTMJSA-N 0 1 286.423 3.786 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2cccs2)n[nH]1 ZINC000277249960 522057197 /nfs/dbraw/zinc/05/71/97/522057197.db2.gz NWHNXLXVLRVOFR-DCAQKATOSA-N 0 1 278.425 3.792 20 0 CHADMN COC(=O)c1ccc([C@@H](C)N(C)Cc2ccc(C)s2)o1 ZINC000102773344 522158583 /nfs/dbraw/zinc/15/85/83/522158583.db2.gz IXCGXJSOAPUKQK-LLVKDONJSA-N 0 1 293.388 3.629 20 0 CHADMN CCc1nc(C)c(CN[C@H]2CCCc3cc(F)ccc32)o1 ZINC000291946585 522212415 /nfs/dbraw/zinc/21/24/15/522212415.db2.gz QIRWVLFZTBBWOO-HNNXBMFYSA-N 0 1 288.366 3.852 20 0 CHADMN CN(C)c1ccccc1CN[C@H]1CCCOc2ccccc21 ZINC000263852072 522292072 /nfs/dbraw/zinc/29/20/72/522292072.db2.gz OTYDXIGIIZKHOI-KRWDZBQOSA-N 0 1 296.414 3.756 20 0 CHADMN CCc1nc(CN[C@@H]2C[C@@H](OCC(C)C)C2(C)C)cs1 ZINC000336890695 522351107 /nfs/dbraw/zinc/35/11/07/522351107.db2.gz OBCVZCMDMLIJFP-ZIAGYGMSSA-N 0 1 296.480 3.635 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000338576150 522402828 /nfs/dbraw/zinc/40/28/28/522402828.db2.gz VNWPWZDHVPLGOS-MLGOLLRUSA-N 0 1 299.418 3.912 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccc(C)cc2C)n[nH]1 ZINC000277413736 522438687 /nfs/dbraw/zinc/43/86/87/522438687.db2.gz LVJRRKIQADACHK-TZMCWYRMSA-N 0 1 286.423 3.786 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2cccc(OC)c2)s1 ZINC000037924700 522553531 /nfs/dbraw/zinc/55/35/31/522553531.db2.gz MZKZKRBULDRXTN-NSHDSACASA-N 0 1 276.405 3.565 20 0 CHADMN CC[C@H](NCc1ccn(C(C)C)n1)c1ccccc1 ZINC000085161453 522659157 /nfs/dbraw/zinc/65/91/57/522659157.db2.gz BNLGQPDENOHXCI-INIZCTEOSA-N 0 1 257.381 3.705 20 0 CHADMN COC1CCN(CCc2cccc(Cl)c2Cl)CC1 ZINC000280102432 522704811 /nfs/dbraw/zinc/70/48/11/522704811.db2.gz TYMCDUOELZMKDF-UHFFFAOYSA-N 0 1 288.218 3.647 20 0 CHADMN COC1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000264748312 522708225 /nfs/dbraw/zinc/70/82/25/522708225.db2.gz AFTIQSGINCXRMQ-LLVKDONJSA-N 0 1 298.224 3.621 20 0 CHADMN C[N@H+](CCCCC(=O)[O-])Cc1c(Cl)cccc1Cl ZINC000262237694 522728651 /nfs/dbraw/zinc/72/86/51/522728651.db2.gz NIRIACCZWCNSGD-UHFFFAOYSA-N 0 1 290.190 3.680 20 0 CHADMN C[N@@H+](CCCCC(=O)[O-])Cc1c(Cl)cccc1Cl ZINC000262237694 522728658 /nfs/dbraw/zinc/72/86/58/522728658.db2.gz NIRIACCZWCNSGD-UHFFFAOYSA-N 0 1 290.190 3.680 20 0 CHADMN CN(CCCCF)Cc1ccccc1Br ZINC000352114154 522735531 /nfs/dbraw/zinc/73/55/31/522735531.db2.gz UFNCFQMZIXAFPF-UHFFFAOYSA-N 0 1 274.177 3.631 20 0 CHADMN CCc1nnc(SCc2cc(C)ccc2OC(F)F)[nH]1 ZINC000291670034 522784220 /nfs/dbraw/zinc/78/42/20/522784220.db2.gz MFNWWICHQSAYLU-UHFFFAOYSA-N 0 1 299.346 3.569 20 0 CHADMN CCc1n[nH]c(SCc2cc(C)ccc2OC(F)F)n1 ZINC000291670034 522784226 /nfs/dbraw/zinc/78/42/26/522784226.db2.gz MFNWWICHQSAYLU-UHFFFAOYSA-N 0 1 299.346 3.569 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1cccc(F)c1 ZINC000275922604 522921124 /nfs/dbraw/zinc/92/11/24/522921124.db2.gz WDTFKMDXIIJGPF-SJORKVTESA-N 0 1 291.341 3.739 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1Cl)N1CC[C@H](CO)C1 ZINC000275729981 522930506 /nfs/dbraw/zinc/93/05/06/522930506.db2.gz UGCDRGCQVYMDTA-IINYFYTJSA-N 0 1 288.218 3.759 20 0 CHADMN CCc1nocc1CN(C)[C@H](CC)c1ccc(F)cc1 ZINC000293331102 522933488 /nfs/dbraw/zinc/93/34/88/522933488.db2.gz GLZPBCMLXUCEIT-MRXNPFEDSA-N 0 1 276.355 3.959 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1cnn(C(C)(C)C)c1 ZINC000290337059 522965044 /nfs/dbraw/zinc/96/50/44/522965044.db2.gz FECSZNQDNLVGHL-MRXNPFEDSA-N 0 1 286.423 3.616 20 0 CHADMN CC[C@@H](OC1CCCCC1)c1nc([C@H](N)CC(C)C)no1 ZINC000339396795 523035641 /nfs/dbraw/zinc/03/56/41/523035641.db2.gz YWUIAJJZYYTTGS-ZIAGYGMSSA-N 0 1 295.427 3.916 20 0 CHADMN CC[C@H]1CCCN1Cc1ccc(OC)c(Br)c1 ZINC000049595382 523109784 /nfs/dbraw/zinc/10/97/84/523109784.db2.gz JAIAGNVXZMWXDB-LBPRGKRZSA-N 0 1 298.224 3.832 20 0 CHADMN CC[C@H]1CCCN1Cc1nc2cc(F)ccc2n1CC ZINC000340697428 523112338 /nfs/dbraw/zinc/11/23/38/523112338.db2.gz PSSHXKPWEXELHP-ZDUSSCGKSA-N 0 1 275.371 3.570 20 0 CHADMN CN(Cc1c(Cl)cccc1Cl)[C@H]1CC[C@H](O)CC1 ZINC000275851823 523155412 /nfs/dbraw/zinc/15/54/12/523155412.db2.gz LGDFSLHETKHDMK-XYPYZODXSA-N 0 1 288.218 3.729 20 0 CHADMN COc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1F ZINC000061669233 523229339 /nfs/dbraw/zinc/22/93/39/523229339.db2.gz BCNQAFMYOCLLJG-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CC[C@@H]1CCCN1CC(=O)Nc1c(C)cccc1C(C)C ZINC000340676708 523267915 /nfs/dbraw/zinc/26/79/15/523267915.db2.gz CHAIBPVWZCWFDV-OAHLLOKOSA-N 0 1 288.435 3.931 20 0 CHADMN CN(Cc1cccc(Cl)n1)[C@H]1CCc2ccccc21 ZINC000075622593 523304593 /nfs/dbraw/zinc/30/45/93/523304593.db2.gz URXYGZFMQLWBRR-HNNXBMFYSA-N 0 1 272.779 3.854 20 0 CHADMN CCn1cc(CN[C@H](C)c2ccccc2C(F)(F)F)cn1 ZINC000264825719 523387663 /nfs/dbraw/zinc/38/76/63/523387663.db2.gz HAEZQEPGGLKYTK-LLVKDONJSA-N 0 1 297.324 3.773 20 0 CHADMN CC[C@H]1c2ccsc2CCN1Cc1ccccn1 ZINC000264242038 523450896 /nfs/dbraw/zinc/45/08/96/523450896.db2.gz BLQFRMLXRIHSBB-AWEZNQCLSA-N 0 1 258.390 3.653 20 0 CHADMN CCn1cc([C@H](C)N[C@@H](C)c2cccc(Cl)c2)cn1 ZINC000044495024 523474773 /nfs/dbraw/zinc/47/47/73/523474773.db2.gz ZDZAYVSZKZIGDU-RYUDHWBXSA-N 0 1 277.799 3.968 20 0 CHADMN CN(Cc1cncc(F)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291278980 523500264 /nfs/dbraw/zinc/50/02/64/523500264.db2.gz OLRJHTDBENQCPT-OLZOCXBDSA-N 0 1 290.304 3.774 20 0 CHADMN CC[C@@H]1c2ccsc2CCN1Cc1ccccn1 ZINC000264242039 523626993 /nfs/dbraw/zinc/62/69/93/523626993.db2.gz BLQFRMLXRIHSBB-CQSZACIVSA-N 0 1 258.390 3.653 20 0 CHADMN COCCN(C/C(C)=C/c1ccccc1)Cc1ccccn1 ZINC000289833357 523640685 /nfs/dbraw/zinc/64/06/85/523640685.db2.gz OYPRYWURNGXJEA-SAPNQHFASA-N 0 1 296.414 3.634 20 0 CHADMN Cc1ncc(CN[C@H]2c3cccc(F)c3CC[C@H]2C)o1 ZINC000335277415 534746823 /nfs/dbraw/zinc/74/68/23/534746823.db2.gz KMVVOQIEDMBLSY-QLJPJBMISA-N 0 1 274.339 3.535 20 0 CHADMN COc1ccc(CN(C)Cc2cnc3ccccc3c2)cc1 ZINC000337123786 524006452 /nfs/dbraw/zinc/00/64/52/524006452.db2.gz CJDHJPKXMPHULG-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN CCc1ccc([C@H](NCc2snnc2C)C(C)C)cc1 ZINC000293246296 524051728 /nfs/dbraw/zinc/05/17/28/524051728.db2.gz BLRUJEGMNNWXOL-MRXNPFEDSA-N 0 1 289.448 3.896 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cccc(Cl)c2)cc1O ZINC000020124166 524083467 /nfs/dbraw/zinc/08/34/67/524083467.db2.gz OTAHGXABUGXYTM-NSHDSACASA-N 0 1 291.778 3.905 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccco2)cc1Cl ZINC000086584187 524090659 /nfs/dbraw/zinc/09/06/59/524090659.db2.gz PFMZRQZUMFXDFK-SNVBAGLBSA-N 0 1 265.740 3.792 20 0 CHADMN Cc1cccc(/C=C\c2nc([C@H](N)CC(C)C)no2)c1 ZINC000339387930 524152372 /nfs/dbraw/zinc/15/23/72/524152372.db2.gz RNUHLMKTMBSLLY-WBTMPAOCSA-N 0 1 271.364 3.594 20 0 CHADMN Cc1cc(C(C)(C)C)cc(C)c1C[N@H+](C)[C@H](C)C(=O)[O-] ZINC000054069608 524199468 /nfs/dbraw/zinc/19/94/68/524199468.db2.gz NXRIZHCLARZAQZ-CYBMUJFWSA-N 0 1 277.408 3.506 20 0 CHADMN Cc1ccc(C2CC(NCc3noc4c3CCCC4)C2)cc1 ZINC000290222413 524236941 /nfs/dbraw/zinc/23/69/41/524236941.db2.gz RSRYKGIBMMGKSU-UHFFFAOYSA-N 0 1 296.414 3.898 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCC(C)=C(C)C1 ZINC000280673209 524293203 /nfs/dbraw/zinc/29/32/03/524293203.db2.gz GCBGHMYWLZSALX-MRXNPFEDSA-N 0 1 286.419 3.673 20 0 CHADMN COc1ccc(F)cc1CN[C@H]1CCc2c1cccc2F ZINC000275015409 524316886 /nfs/dbraw/zinc/31/68/86/524316886.db2.gz OIZHEYUXOPXHFG-INIZCTEOSA-N 0 1 289.325 3.751 20 0 CHADMN Cc1cccc(C2(c3nc([C@H](N)CC(C)C)no3)CC2)c1 ZINC000339392347 524331755 /nfs/dbraw/zinc/33/17/55/524331755.db2.gz CXPBWARLTIEZMC-CQSZACIVSA-N 0 1 285.391 3.504 20 0 CHADMN COc1ccc(F)cc1[C@H](C)N[C@H](C)c1ccncc1 ZINC000037089904 524334446 /nfs/dbraw/zinc/33/44/46/524334446.db2.gz PYMULOJJAANQDF-NEPJUHHUSA-N 0 1 274.339 3.641 20 0 CHADMN Cc1ccc(CNC(C)(C)c2ccc(F)c(F)c2)cn1 ZINC000156170962 524569797 /nfs/dbraw/zinc/56/97/97/524569797.db2.gz MWVRWSJYJSXLQO-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN Cc1ccc(CNCc2cnccc2C)c(OCC2CC2)c1 ZINC000280130694 524586159 /nfs/dbraw/zinc/58/61/59/524586159.db2.gz DDVAJNZWMARJID-UHFFFAOYSA-N 0 1 296.414 3.777 20 0 CHADMN Cc1ccc(CN[C@H](C)c2nc3ccccc3n2C)s1 ZINC000050225138 524604991 /nfs/dbraw/zinc/60/49/91/524604991.db2.gz CRKFAYMWEUHEAD-GFCCVEGCSA-N 0 1 285.416 3.794 20 0 CHADMN Cc1cc(CN2CCC(c3ccc(F)cc3C)CC2)ncn1 ZINC000298187657 524678499 /nfs/dbraw/zinc/67/84/99/524678499.db2.gz ASVRQYNYFDCFFF-UHFFFAOYSA-N 0 1 299.393 3.612 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1ccco1 ZINC000080339550 524723414 /nfs/dbraw/zinc/72/34/14/524723414.db2.gz NOACZINIBVWQJF-BZNIZROVSA-N 0 1 259.324 3.832 20 0 CHADMN Cc1cc(CN[C@@H]2CC(C)(C)CCc3ccccc32)ncn1 ZINC000280886525 524768949 /nfs/dbraw/zinc/76/89/49/524768949.db2.gz PSBACSQLFAPWSG-GOSISDBHSA-N 0 1 295.430 3.978 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc3ccccc3s2)ncn1 ZINC000275877249 524778639 /nfs/dbraw/zinc/77/86/39/524778639.db2.gz OSPDXUOAKITKBT-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1cc(CN[C@H]2CCC(C)(C)c3ccccc32)on1 ZINC000044985289 524779607 /nfs/dbraw/zinc/77/96/07/524779607.db2.gz SHKRCLDFICPLCO-INIZCTEOSA-N 0 1 270.376 3.885 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(F)cc2)C2CCC2)ncn1 ZINC000293113392 524781526 /nfs/dbraw/zinc/78/15/26/524781526.db2.gz KATMJPXSXLKQMP-KRWDZBQOSA-N 0 1 285.366 3.555 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000120215817 524782938 /nfs/dbraw/zinc/78/29/38/524782938.db2.gz NCNQBQFWCCVBCZ-STQMWFEESA-N 0 1 299.370 3.836 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cnc([C@H](C)O)s2)c1C ZINC000290314097 524828070 /nfs/dbraw/zinc/82/80/70/524828070.db2.gz IXWKYLWLTYGUBJ-OLZOCXBDSA-N 0 1 290.432 3.664 20 0 CHADMN Cc1cccc([C@@H](C)c2nc([C@@H](N)CC(C)C)no2)c1 ZINC000339368620 524833407 /nfs/dbraw/zinc/83/34/07/524833407.db2.gz WZAJLTMNBURLQT-OCCSQVGLSA-N 0 1 273.380 3.576 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNCc2cccc(F)c2)o1 ZINC000020473441 524861648 /nfs/dbraw/zinc/86/16/48/524861648.db2.gz JCGQOUGIAHRYJJ-NHYWBVRUSA-N 0 1 259.324 3.832 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNCc2ccccc2N(C)C)o1 ZINC000263856260 524862982 /nfs/dbraw/zinc/86/29/82/524862982.db2.gz SAPMQUQYTQLFMN-BBRMVZONSA-N 0 1 284.403 3.759 20 0 CHADMN Cc1cccc2nc(N[C@@H](C)c3cccnc3)sc21 ZINC000338636568 524910523 /nfs/dbraw/zinc/91/05/23/524910523.db2.gz LIIUFOMMCARRBZ-NSHDSACASA-N 0 1 269.373 3.595 20 0 CHADMN C[C@H]1C[C@H](NCCF)c2cccc(Br)c21 ZINC000309154891 524924017 /nfs/dbraw/zinc/92/40/17/524924017.db2.gz XEJWINIURIGTLN-KWQFWETISA-N 0 1 272.161 3.557 20 0 CHADMN Cc1cccc2cc(-c3nc([C@H](N)CC(C)C)no3)oc21 ZINC000339388126 524969472 /nfs/dbraw/zinc/96/94/72/524969472.db2.gz VDLYEOXGHRFGRP-GFCCVEGCSA-N 0 1 285.347 3.837 20 0 CHADMN COc1ncccc1CNCc1ccc(C(C)(C)C)s1 ZINC000126423579 525061325 /nfs/dbraw/zinc/06/13/25/525061325.db2.gz YHVPIWRTXSFGKD-UHFFFAOYSA-N 0 1 290.432 3.739 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1ccc(F)cn1 ZINC000293026154 525071458 /nfs/dbraw/zinc/07/14/58/525071458.db2.gz RBTHSVNCAULDBQ-UHFFFAOYSA-N 0 1 258.340 3.554 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(Cl)cc2)cc1O ZINC000289558505 525156006 /nfs/dbraw/zinc/15/60/06/525156006.db2.gz COCHBSGPCZHUGR-LLVKDONJSA-N 0 1 291.778 3.905 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cncs2)cc1 ZINC000130049346 525160788 /nfs/dbraw/zinc/16/07/88/525160788.db2.gz DWIHQVIWTHWLTQ-MNOVXSKESA-N 0 1 262.378 3.564 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2F)N(Cc2cncs2)C1 ZINC000093531615 525292536 /nfs/dbraw/zinc/29/25/36/525292536.db2.gz NDHXMGPROKXNDY-ABAIWWIYSA-N 0 1 276.380 3.865 20 0 CHADMN Cc1ccc(N[C@@H](c2nnc[nH]2)C2CCCCC2)c(F)c1 ZINC000292096790 525311812 /nfs/dbraw/zinc/31/18/12/525311812.db2.gz JGGYENRUUGCVNX-OAHLLOKOSA-N 0 1 288.370 3.986 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN(CC2=CCCOC2)C2CC2)o1 ZINC000129854982 525339193 /nfs/dbraw/zinc/33/91/93/525339193.db2.gz DNKAQJFGCHKEFB-DYVFJYSZSA-N 0 1 287.403 3.714 20 0 CHADMN Cc1ccccc1[C@@H](C)N(C)C(=O)c1cc(C(C)C)[nH]n1 ZINC000299533135 525348846 /nfs/dbraw/zinc/34/88/46/525348846.db2.gz LJVDYEQDIZKRHW-CYBMUJFWSA-N 0 1 285.391 3.675 20 0 CHADMN Cc1ccccc1[C@@H]1CCN([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000263737296 525386224 /nfs/dbraw/zinc/38/62/24/525386224.db2.gz QWSKITGVIFPVOL-DZGCQCFKSA-N 0 1 297.402 3.806 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2ncnn2C(C)C)C1 ZINC000279960961 525391471 /nfs/dbraw/zinc/39/14/71/525391471.db2.gz IGYNCVAEYDJCHT-HZPDHXFCSA-N 0 1 298.434 3.545 20 0 CHADMN C[C@H](NCc1ccc2c(c1)CCCC2)c1ccccn1 ZINC000291841210 525449879 /nfs/dbraw/zinc/44/98/79/525449879.db2.gz CMSXDINTLUIODL-AWEZNQCLSA-N 0 1 266.388 3.811 20 0 CHADMN C[C@H](NCc1cnn(C(C)(C)C)c1)c1cccs1 ZINC000037235472 525480074 /nfs/dbraw/zinc/48/00/74/525480074.db2.gz NZGVVTBUEXYIGF-NSHDSACASA-N 0 1 263.410 3.550 20 0 CHADMN C[C@H](NCc1cncs1)c1ccc(Br)cc1 ZINC000054788353 525480759 /nfs/dbraw/zinc/48/07/59/525480759.db2.gz DYAOTDLPKRDVHR-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN C[C@@H](NCc1cc(F)ccc1F)c1ccc2c(c1)CCO2 ZINC000070165663 525513370 /nfs/dbraw/zinc/51/33/70/525513370.db2.gz SXJNSXKNFPCCEF-LLVKDONJSA-N 0 1 289.325 3.751 20 0 CHADMN Cc1cc([C@H](C)NCc2cn3ccccc3n2)c(C)s1 ZINC000042322396 525522826 /nfs/dbraw/zinc/52/28/26/525522826.db2.gz BOHQVQWPVWOKRV-LBPRGKRZSA-N 0 1 285.416 3.863 20 0 CHADMN C[C@@H](NCc1ccc(Cl)o1)c1ccc2n[nH]cc2c1 ZINC000353112209 525523574 /nfs/dbraw/zinc/52/35/74/525523574.db2.gz PVZGUCHXCKPTFU-SECBINFHSA-N 0 1 275.739 3.660 20 0 CHADMN C[C@@H](NCc1ccc2c(n1)CCCC2)c1ccsc1 ZINC000278370174 525531076 /nfs/dbraw/zinc/53/10/76/525531076.db2.gz DLCXNZZPGHCCFK-GFCCVEGCSA-N 0 1 272.417 3.873 20 0 CHADMN C[C@@H](NCc1ccc2c(n1)CCCC2)c1ccc(F)cc1 ZINC000277480214 525532045 /nfs/dbraw/zinc/53/20/45/525532045.db2.gz BPGGUGFVTLRUTD-CYBMUJFWSA-N 0 1 284.378 3.950 20 0 CHADMN C[C@@H](NCc1cccc2c1OCCCO2)c1ccccc1 ZINC000036167430 525535641 /nfs/dbraw/zinc/53/56/41/525535641.db2.gz YKZPVYLWVVWJBE-CQSZACIVSA-N 0 1 283.371 3.699 20 0 CHADMN C[C@H](N[C@@H](C)c1ccncc1F)c1ccc2n[nH]cc2c1 ZINC000340397906 525537884 /nfs/dbraw/zinc/53/78/84/525537884.db2.gz VEOMBUBKLHLUQL-QWRGUYRKSA-N 0 1 284.338 3.509 20 0 CHADMN C[C@H](N[C@@H]1CCC(C)(C)C[C@@H]1C)c1nc(C2CC2)no1 ZINC000120904838 525550112 /nfs/dbraw/zinc/55/01/12/525550112.db2.gz DYCXCGGPKRDQTB-GMXVVIOVSA-N 0 1 277.412 3.812 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1ccsc1C)CCO2 ZINC000293287261 525577262 /nfs/dbraw/zinc/57/72/62/525577262.db2.gz OMDCEGLUVYJOSP-HNNXBMFYSA-N 0 1 289.400 3.679 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](C)Sc2sccc21)c1cnn(C)c1 ZINC000163872185 525587710 /nfs/dbraw/zinc/58/77/10/525587710.db2.gz WNCQSVPZHKKVFN-OUJBWJOFSA-N 0 1 293.461 3.758 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1ccsc1C)CCO2 ZINC000339361303 525589260 /nfs/dbraw/zinc/58/92/60/525589260.db2.gz OMDCEGLUVYJOSP-OAHLLOKOSA-N 0 1 289.400 3.679 20 0 CHADMN C[C@H](N[C@H](CO)c1ccccc1)c1ccc(Cl)s1 ZINC000062999829 525596014 /nfs/dbraw/zinc/59/60/14/525596014.db2.gz IDGLWIPLETZDCQ-CMPLNLGQSA-N 0 1 281.808 3.786 20 0 CHADMN Cc1cc2c(cc1C)[C@H](N[C@@H](C)c1cn[nH]c1)CCS2 ZINC000275275706 525606055 /nfs/dbraw/zinc/60/60/55/525606055.db2.gz CPBUVMYTAKKCRQ-SWLSCSKDSA-N 0 1 287.432 3.914 20 0 CHADMN C[C@H](N[C@H]1CCCc2ccc(F)cc21)c1ccccn1 ZINC000089214112 525614427 /nfs/dbraw/zinc/61/44/27/525614427.db2.gz HGWIORKCIBBHAY-SJCJKPOMSA-N 0 1 270.351 3.949 20 0 CHADMN C[C@@H](N[C@@H](C)c1nccs1)[C@H]1OCCc2sccc21 ZINC000291966845 525624482 /nfs/dbraw/zinc/62/44/82/525624482.db2.gz SSFTXTJUWMAJGB-GBIKHYSHSA-N 0 1 294.445 3.558 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@H]2CC(C)(C)C)c1 ZINC000338675018 525631303 /nfs/dbraw/zinc/63/13/03/525631303.db2.gz IDBFPSHOUQYPTN-AWEZNQCLSA-N 0 1 299.418 3.912 20 0 CHADMN C[C@H](N[C@H]1CCc2c1cccc2O)c1ccc(Cl)cn1 ZINC000274871338 525631210 /nfs/dbraw/zinc/63/12/10/525631210.db2.gz FRQBECXRKRTTHA-BONVTDFDSA-N 0 1 288.778 3.779 20 0 CHADMN COc1ccc2nc(SC3C[C@@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000338502535 525678923 /nfs/dbraw/zinc/67/89/23/525678923.db2.gz ZNEDNCDDFVQONV-NXEZZACHSA-N 0 1 292.404 3.620 20 0 CHADMN Cc1ccc([C@@H](C)NCc2nc3ccccc3n2C)cc1 ZINC000066973625 525735818 /nfs/dbraw/zinc/73/58/18/525735818.db2.gz BZFXBDAAWWGEHE-CQSZACIVSA-N 0 1 279.387 3.733 20 0 CHADMN Cc1ccoc1CNCc1ccc(N2CCC(C)CC2)nc1 ZINC000266184385 525805390 /nfs/dbraw/zinc/80/53/90/525805390.db2.gz GTPWKFLJPPKPMA-UHFFFAOYSA-N 0 1 299.418 3.509 20 0 CHADMN Cc1ccoc1CN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000266245507 525806610 /nfs/dbraw/zinc/80/66/10/525806610.db2.gz YNNZLWWJWVJQRJ-SFHVURJKSA-N 0 1 299.370 3.600 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cc3cscn3)C2)c(C)c1 ZINC000280209202 525828890 /nfs/dbraw/zinc/82/88/90/525828890.db2.gz AAIDPFNUPXLXNC-CQSZACIVSA-N 0 1 272.417 3.749 20 0 CHADMN Cc1ccsc1CN(C)C(=O)c1cccc2[nH]c(C)nc21 ZINC000338505011 525838136 /nfs/dbraw/zinc/83/81/36/525838136.db2.gz JJUOPLWXPUPNNP-UHFFFAOYSA-N 0 1 299.399 3.513 20 0 CHADMN C[C@H](O)[C@@H]1CCN([C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000272641569 525839868 /nfs/dbraw/zinc/83/98/68/525839868.db2.gz XPXPQFPPOKVCEM-GARJFASQSA-N 0 1 288.218 3.757 20 0 CHADMN Cc1c([C@H](C)NCc2ccc(C)nc2)cnn1C(C)(C)C ZINC000276430441 525920869 /nfs/dbraw/zinc/92/08/69/525920869.db2.gz WRNNOFLBNQZVFY-ZDUSSCGKSA-N 0 1 286.423 3.501 20 0 CHADMN Cc1ccc([C@H](N[C@H]2CCC[C@H]2F)C2CCC2)o1 ZINC000340524165 525973184 /nfs/dbraw/zinc/97/31/84/525973184.db2.gz KNGIPDSFIPSKTK-VNHYZAJKSA-N 0 1 251.345 3.909 20 0 CHADMN Cc1cnc(C2CCN(CCC(F)(F)F)CC2)s1 ZINC000277412348 525987884 /nfs/dbraw/zinc/98/78/84/525987884.db2.gz JRFJSBPYLWQMRB-UHFFFAOYSA-N 0 1 278.343 3.583 20 0 CHADMN Cc1ccc([C@H]2CCCCN2Cc2ccno2)cc1 ZINC000266007177 525996029 /nfs/dbraw/zinc/99/60/29/525996029.db2.gz QMQCKONLMFYSHQ-MRXNPFEDSA-N 0 1 256.349 3.710 20 0 CHADMN Cc1cnc(CN2CCC[C@H]2CCC2CCCC2)nc1 ZINC000340690853 526019003 /nfs/dbraw/zinc/01/90/03/526019003.db2.gz IZLUNMLOLQRYIZ-INIZCTEOSA-N 0 1 273.424 3.720 20 0 CHADMN Cc1c[nH]nc1CN(C)[C@@H](c1ccccc1)C(C)C ZINC000290523566 526021784 /nfs/dbraw/zinc/02/17/84/526021784.db2.gz UTXGHDIIQOMLOI-MRXNPFEDSA-N 0 1 257.381 3.547 20 0 CHADMN C[C@@H](c1cc(Cl)ccc1Cl)N1CCC[C@@H](O)CC1 ZINC000293079806 526027871 /nfs/dbraw/zinc/02/78/71/526027871.db2.gz JOYNARMETVNUGQ-CMPLNLGQSA-N 0 1 288.218 3.901 20 0 CHADMN Cc1c[nH]nc1CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000289399360 526033132 /nfs/dbraw/zinc/03/31/32/526033132.db2.gz ABIULDYPBNPDOP-FUEDEBDSSA-N 0 1 289.810 3.858 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)N(Cc3ncnn3C(C)C)C2)cc1 ZINC000279718430 526034325 /nfs/dbraw/zinc/03/43/25/526034325.db2.gz LKEJMGWKHPIINV-WBVHZDCISA-N 0 1 298.434 3.545 20 0 CHADMN Cc1cnc(CNCCOc2ccccc2C(C)C)s1 ZINC000295752999 526039767 /nfs/dbraw/zinc/03/97/67/526039767.db2.gz PPGOCKCWWXSBAA-UHFFFAOYSA-N 0 1 290.432 3.744 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N1CC[C@@H](n2cccn2)C1 ZINC000291159707 526049693 /nfs/dbraw/zinc/04/96/93/526049693.db2.gz CFYPVJURMTVUCN-IUODEOHRSA-N 0 1 275.783 3.545 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC(c2ncc[nH]2)CC1 ZINC000265483068 526057668 /nfs/dbraw/zinc/05/76/68/526057668.db2.gz LIRQYPWVCSMUDX-NSHDSACASA-N 0 1 291.345 3.629 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226398767 526065323 /nfs/dbraw/zinc/06/53/23/526065323.db2.gz UHCQBRMKYFPRNJ-SUMWQHHRSA-N 0 1 283.371 3.697 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1cnc2ccccc2c1 ZINC000337192053 526126006 /nfs/dbraw/zinc/12/60/06/526126006.db2.gz UILGKZAJASHWNE-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN C[C@@H](c1ccco1)N(C)CC1=Cc2ccccc2OC1 ZINC000131089485 526136258 /nfs/dbraw/zinc/13/62/58/526136258.db2.gz SUNHFQFVWFPAGA-ZDUSSCGKSA-N 0 1 269.344 3.748 20 0 CHADMN CSc1ccccc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000339356949 526144850 /nfs/dbraw/zinc/14/48/50/526144850.db2.gz CYIAISYQOFPNTN-NSHDSACASA-N 0 1 277.393 3.504 20 0 CHADMN Cc1cnc([C@H](C)NCCOc2cccc(Cl)c2)s1 ZINC000299409370 526155687 /nfs/dbraw/zinc/15/56/87/526155687.db2.gz SSRXYMKCVSNAMU-NSHDSACASA-N 0 1 296.823 3.835 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@@H](C2CC2)C1 ZINC000289482136 526175677 /nfs/dbraw/zinc/17/56/77/526175677.db2.gz RWBCMUASRKUJMF-TZMCWYRMSA-N 0 1 297.402 3.518 20 0 CHADMN Cc1cncc(CNC2(c3cccc(Cl)c3)CC2)c1 ZINC000189999969 526204849 /nfs/dbraw/zinc/20/48/49/526204849.db2.gz QVFBLKCLIAOTGA-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN Cc1cncc([C@@H](C)NCc2coc3ccccc23)c1 ZINC000340430951 526213683 /nfs/dbraw/zinc/21/36/83/526213683.db2.gz ANXYLDAFCRSUKU-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN Cc1cncc([C@H](C)NCc2coc3ccccc23)c1 ZINC000340430952 526216722 /nfs/dbraw/zinc/21/67/22/526216722.db2.gz ANXYLDAFCRSUKU-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN Cc1cnn(-c2ccncc2NCc2cccc(Cl)c2)c1 ZINC000340194044 526250309 /nfs/dbraw/zinc/25/03/09/526250309.db2.gz HJJGRSYQAIDSDL-UHFFFAOYSA-N 0 1 298.777 3.841 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)CC3CCC3)[nH]c2c1 ZINC000079813863 526256185 /nfs/dbraw/zinc/25/61/85/526256185.db2.gz NWPWNQUYYGZQKR-INIZCTEOSA-N 0 1 297.402 3.725 20 0 CHADMN FC(F)c1cccc(CSc2nc(C3CC3)n[nH]2)c1 ZINC000280044074 526268162 /nfs/dbraw/zinc/26/81/62/526268162.db2.gz XENWOVUVHHISIW-UHFFFAOYSA-N 0 1 281.331 3.912 20 0 CHADMN FC(F)c1cccc(CSc2n[nH]c(C3CC3)n2)c1 ZINC000280044074 526268164 /nfs/dbraw/zinc/26/81/64/526268164.db2.gz XENWOVUVHHISIW-UHFFFAOYSA-N 0 1 281.331 3.912 20 0 CHADMN FCCCN1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000127195504 526281978 /nfs/dbraw/zinc/28/19/78/526281978.db2.gz OPKBEFGIPNCSOK-AWEZNQCLSA-N 0 1 289.354 3.623 20 0 CHADMN Fc1cc(C2CC2)ccc1CNCc1cccc2nccn21 ZINC000291775482 526294875 /nfs/dbraw/zinc/29/48/75/526294875.db2.gz UDKBKBAITQIOIO-UHFFFAOYSA-N 0 1 295.361 3.641 20 0 CHADMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC000262106140 526298245 /nfs/dbraw/zinc/29/82/45/526298245.db2.gz HZRPTBIJQOQKKX-PKOBYXMFSA-N 0 1 295.382 3.527 20 0 CHADMN [O-]c1cccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c1Cl ZINC000293303910 526361597 /nfs/dbraw/zinc/36/15/97/526361597.db2.gz PTLNVBUNKUYOLH-ZDUSSCGKSA-N 0 1 295.810 3.627 20 0 CHADMN Cc1nnc([C@H](C)NC[C@@H](C)c2cccc(Cl)c2)s1 ZINC000276270674 526404721 /nfs/dbraw/zinc/40/47/21/526404721.db2.gz QSPRMNHHGKCKQV-ZJUUUORDSA-N 0 1 295.839 3.954 20 0 CHADMN c1cc2cc(CN(Cc3ccccn3)C3CC3)ccc2o1 ZINC000290394440 526448582 /nfs/dbraw/zinc/44/85/82/526448582.db2.gz JAKBXETXHDGPPM-UHFFFAOYSA-N 0 1 278.355 3.992 20 0 CHADMN Cc1nnsc1CN[C@H](C)c1cccc(C2CC2)c1 ZINC000340394837 526449153 /nfs/dbraw/zinc/44/91/53/526449153.db2.gz MCBGXBHYXUNGIK-SNVBAGLBSA-N 0 1 273.405 3.575 20 0 CHADMN Cc1noc(C)c1CNCc1ccc(Cl)cc1C ZINC000129165856 526514575 /nfs/dbraw/zinc/51/45/75/526514575.db2.gz HEOYNRFLSASDTB-UHFFFAOYSA-N 0 1 264.756 3.543 20 0 CHADMN Cc1nc(CN[C@@H](c2oc3ccccc3c2C)C(C)C)n[nH]1 ZINC000293156970 526524389 /nfs/dbraw/zinc/52/43/89/526524389.db2.gz MTWNQVIGUBNUSL-MRXNPFEDSA-N 0 1 298.390 3.655 20 0 CHADMN Cc1n[nH]cc1CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000130841159 526547033 /nfs/dbraw/zinc/54/70/33/526547033.db2.gz SZPSQPOUCZGPQL-LLVKDONJSA-N 0 1 263.772 3.565 20 0 CHADMN c1[nH]nc2c1CCC[C@@H]2NCc1ccc(C2CCC2)cc1 ZINC000293143845 526590650 /nfs/dbraw/zinc/59/06/50/526590650.db2.gz DDOLZPKAWPJLAE-KRWDZBQOSA-N 0 1 281.403 3.844 20 0 CHADMN c1nc2cc(-c3noc(C4CCCCC4)n3)ccc2[nH]1 ZINC000273846112 526607446 /nfs/dbraw/zinc/60/74/46/526607446.db2.gz IGBYBXFGKQQMEB-UHFFFAOYSA-N 0 1 268.320 3.661 20 0 CHADMN c1ncc(CN2CCCCC[C@H]2c2ccncc2)s1 ZINC000157004323 526611513 /nfs/dbraw/zinc/61/15/13/526611513.db2.gz RJRXAUWYVRGGCI-HNNXBMFYSA-N 0 1 273.405 3.655 20 0 CHADMN Cc1nc(C(C)C)oc1C(=O)Nc1cccc(Cl)c1O ZINC000293323100 526672981 /nfs/dbraw/zinc/67/29/81/526672981.db2.gz FQQMKEVYTWTUDJ-UHFFFAOYSA-N 0 1 294.738 3.718 20 0 CHADMN Cc1nc(C2(NC[C@@H]3CCC(F)(F)C3)CCCCC2)no1 ZINC000340282599 526768798 /nfs/dbraw/zinc/76/87/98/526768798.db2.gz ATOICLWOSCERPE-GFCCVEGCSA-N 0 1 299.365 3.562 20 0 CHADMN Cc1nc(CN2CCC[C@H](Cc3ccccc3)C2)cs1 ZINC000340845107 526860070 /nfs/dbraw/zinc/86/00/70/526860070.db2.gz MSXBBCIGDSDIBD-MRXNPFEDSA-N 0 1 286.444 3.906 20 0 CHADMN Cc1nc(CN2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)no1 ZINC000274942572 526874637 /nfs/dbraw/zinc/87/46/37/526874637.db2.gz BVPWENXBCOZQAB-BRWVUGGUSA-N 0 1 297.402 3.536 20 0 CHADMN Clc1ccc(CN2CCC[C@H](c3ccncc3)C2)cn1 ZINC000289433550 526946752 /nfs/dbraw/zinc/94/67/52/526946752.db2.gz VWQQOODXSPGVCW-HNNXBMFYSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1nc(F)ccc1CNCc1cccc(C(F)(F)F)c1 ZINC000278347211 526947074 /nfs/dbraw/zinc/94/70/74/526947074.db2.gz HWBOMORLCXYFAA-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Clc1ccc(OCCSc2nc(C3CC3)n[nH]2)cc1 ZINC000012992238 526958214 /nfs/dbraw/zinc/95/82/14/526958214.db2.gz RJUORBKNPWSHAV-UHFFFAOYSA-N 0 1 295.795 3.507 20 0 CHADMN Clc1ccc(OCCSc2n[nH]c(C3CC3)n2)cc1 ZINC000012992238 526958218 /nfs/dbraw/zinc/95/82/18/526958218.db2.gz RJUORBKNPWSHAV-UHFFFAOYSA-N 0 1 295.795 3.507 20 0 CHADMN Cc1nc2ccc(NC(=O)CCc3ccsc3)cc2[nH]1 ZINC000340946792 527140919 /nfs/dbraw/zinc/14/09/19/527140919.db2.gz BBSWNZISMYKVRY-UHFFFAOYSA-N 0 1 285.372 3.504 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@H]3CCCC[C@@H]32)[nH]1 ZINC000338500037 527151785 /nfs/dbraw/zinc/15/17/85/527151785.db2.gz CZZZCKYEVMDBPF-CJNGLKHVSA-N 0 1 297.402 3.666 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3ccc(C)c(C)c3)c2[nH]1 ZINC000338518969 527155656 /nfs/dbraw/zinc/15/56/56/527155656.db2.gz YHRTWXHNZIVIJH-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)cn1 ZINC000339286484 527275880 /nfs/dbraw/zinc/27/58/80/527275880.db2.gz WLOKQDYERDNODE-JTQLQIEISA-N 0 1 295.308 3.655 20 0 CHADMN Cn1ccnc1CN[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000280922856 527435289 /nfs/dbraw/zinc/43/52/89/527435289.db2.gz UFDSXORGKVIELH-MRXNPFEDSA-N 0 1 283.419 3.614 20 0 CHADMN Cc1ncsc1CN[C@@H]1CCSc2ccc(F)cc21 ZINC000088869138 527512013 /nfs/dbraw/zinc/51/20/13/527512013.db2.gz ISNPURDCQOZUBX-GFCCVEGCSA-N 0 1 294.420 3.917 20 0 CHADMN OCC[C@H](NCc1ccc(C2CCC2)cc1)c1ccco1 ZINC000278882563 527569111 /nfs/dbraw/zinc/56/91/11/527569111.db2.gz PIXUQXZDROHRAW-KRWDZBQOSA-N 0 1 285.387 3.760 20 0 CHADMN O=C([O-])CCC[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000262186653 527584626 /nfs/dbraw/zinc/58/46/26/527584626.db2.gz FKMDQJVKOAQZMN-UHFFFAOYSA-N 0 1 297.345 3.574 20 0 CHADMN Cc1nn(C)c(C)c1CN(Cc1ccc(F)cc1)C(C)C ZINC000299527011 527627592 /nfs/dbraw/zinc/62/75/92/527627592.db2.gz CVPIKSXZQKIAOT-UHFFFAOYSA-N 0 1 289.398 3.587 20 0 CHADMN FC(F)(F)CCN1CCSC[C@H]1c1ccccc1 ZINC000265867997 527666232 /nfs/dbraw/zinc/66/62/32/527666232.db2.gz UXMGORJCKIFADK-LBPRGKRZSA-N 0 1 275.339 3.729 20 0 CHADMN FC(F)(F)COc1cccc(CNCc2ccco2)c1 ZINC000069706617 527671813 /nfs/dbraw/zinc/67/18/13/527671813.db2.gz ZZVFASPTNOLPAX-UHFFFAOYSA-N 0 1 285.265 3.511 20 0 CHADMN FC(F)(F)c1cnc(CNCCC2=CCCC2)s1 ZINC000278787039 527689140 /nfs/dbraw/zinc/68/91/40/527689140.db2.gz ZVLSIZHAZOKUAB-UHFFFAOYSA-N 0 1 276.327 3.752 20 0 CHADMN Cc1nn(C)cc1CN(C)[C@@H](C)c1cccc(Cl)c1 ZINC000130356224 527691501 /nfs/dbraw/zinc/69/15/01/527691501.db2.gz AXDMEYCMBCBBNX-LBPRGKRZSA-N 0 1 277.799 3.575 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1nccc2ccccc21 ZINC000289810068 527700321 /nfs/dbraw/zinc/70/03/21/527700321.db2.gz PJQRSDSTKOZURD-GXTWGEPZSA-N 0 1 294.402 3.689 20 0 CHADMN CC1(C)C[C@@H]1NCc1ncc(-c2ccccc2)s1 ZINC000356050923 527719668 /nfs/dbraw/zinc/71/96/68/527719668.db2.gz TVJPPLVJCYGTCW-ZDUSSCGKSA-N 0 1 258.390 3.698 20 0 CHADMN CC(C)[C@H]1CCCC[C@@H]1N[C@@H](C)c1nc(C2CC2)no1 ZINC000331549778 527763524 /nfs/dbraw/zinc/76/35/24/527763524.db2.gz RPQYGDMQAPTTTP-YUTCNCBUSA-N 0 1 277.412 3.812 20 0 CHADMN CCC[C@@H]1CCC[C@H]1c1nc(C2(N)CCCCC2)no1 ZINC000331606230 527764866 /nfs/dbraw/zinc/76/48/66/527764866.db2.gz QWUCJOAPAFFYAS-CHWSQXEVSA-N 0 1 277.412 3.872 20 0 CHADMN CC(C)CC[C@@H]1CCCCN1Cc1cn(C(C)C)nn1 ZINC000347926895 527815997 /nfs/dbraw/zinc/81/59/97/527815997.db2.gz ZCKJFXNXEXCYJZ-INIZCTEOSA-N 0 1 278.444 3.650 20 0 CHADMN CC(C)[C@H]1CN(Cc2cnc(C3CCC3)s2)CCCO1 ZINC000354793716 527856290 /nfs/dbraw/zinc/85/62/90/527856290.db2.gz SNPYQZYFWDNALF-OAHLLOKOSA-N 0 1 294.464 3.658 20 0 CHADMN CC(C)CCn1cccc1CN[C@@H]1COCc2ccccc21 ZINC000418100045 527886706 /nfs/dbraw/zinc/88/67/06/527886706.db2.gz CRUBDWRGGJXRCL-LJQANCHMSA-N 0 1 298.430 3.895 20 0 CHADMN CCN(CC(=O)N(C)C(C)C)Cc1ccc2ccccc2c1 ZINC000353714333 527891469 /nfs/dbraw/zinc/89/14/69/527891469.db2.gz QMHPWCMEAHKEFR-UHFFFAOYSA-N 0 1 298.430 3.529 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2nc(C)cs2)C1 ZINC000353875691 527933811 /nfs/dbraw/zinc/93/38/11/527933811.db2.gz ZVUACYPSMWHVET-AWEZNQCLSA-N 0 1 252.427 3.854 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2nccc(OC)c2OC)C1 ZINC000354856227 527934614 /nfs/dbraw/zinc/93/46/14/527934614.db2.gz JGNQMBVONTYZRB-KRWDZBQOSA-N 0 1 292.423 3.501 20 0 CHADMN CC1(CNCc2csc(COc3ccccc3)n2)CC1 ZINC000344718452 527982934 /nfs/dbraw/zinc/98/29/34/527982934.db2.gz VVZPRYKJFXVYDM-UHFFFAOYSA-N 0 1 288.416 3.612 20 0 CHADMN CCCN(CC)Cc1ncc(-c2cccs2)o1 ZINC000344452940 528004390 /nfs/dbraw/zinc/00/43/90/528004390.db2.gz UJXVXNUMLRULEE-UHFFFAOYSA-N 0 1 250.367 3.635 20 0 CHADMN CC(C)c1cnc(CN2CC[C@@H](CC3CC3)C2)s1 ZINC000354524688 528213946 /nfs/dbraw/zinc/21/39/46/528213946.db2.gz HGPZDSQFFKKUQG-ZDUSSCGKSA-N 0 1 264.438 3.889 20 0 CHADMN CCN(CC)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000352590713 528227979 /nfs/dbraw/zinc/22/79/79/528227979.db2.gz PNUDLHCBJAOGSV-ZDUSSCGKSA-N 0 1 270.376 3.509 20 0 CHADMN CC(C)c1ncc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)s1 ZINC000334907041 528349173 /nfs/dbraw/zinc/34/91/73/528349173.db2.gz FXPGNRQTMQJJRF-YPMHNXCESA-N 0 1 286.391 3.744 20 0 CHADMN CC(C)c1ncc(CN2CCCO[C@H](C(C)C)C2)s1 ZINC000354789601 528350010 /nfs/dbraw/zinc/35/00/10/528350010.db2.gz JJABXBFPKGOKAA-AWEZNQCLSA-N 0 1 282.453 3.513 20 0 CHADMN CCN(CC[C@H]1CCCCO1)Cc1c(F)cccc1F ZINC000347398804 528586562 /nfs/dbraw/zinc/58/65/62/528586562.db2.gz IUELDOGHPQPHCF-CYBMUJFWSA-N 0 1 283.362 3.746 20 0 CHADMN CCOc1ccc2nc(SC[C@H]3CC[C@@H](C)O3)[nH]c2c1 ZINC000352244630 528625729 /nfs/dbraw/zinc/62/57/29/528625729.db2.gz VIQNILKYMLLFCE-ZYHUDNBSSA-N 0 1 292.404 3.621 20 0 CHADMN CCN(Cc1cccc(Cl)c1)Cc1cncc(F)c1 ZINC000344637850 528806121 /nfs/dbraw/zinc/80/61/21/528806121.db2.gz DWJCHBORTBHAGK-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN CCC(CC)[C@@H](CCNCc1csc(C2CC2)n1)OC ZINC000344830064 528817874 /nfs/dbraw/zinc/81/78/74/528817874.db2.gz RTXWONUOOLIKNS-OAHLLOKOSA-N 0 1 296.480 3.951 20 0 CHADMN CCCC[C@@H](N[C@@H](C)c1nnc(CC)o1)C1CCC1 ZINC000347925559 528857326 /nfs/dbraw/zinc/85/73/26/528857326.db2.gz YCWUTJAMJCOGAG-WCQYABFASA-N 0 1 265.401 3.642 20 0 CHADMN CCN(Cc1conc1C)[C@@H](C)c1ccc(F)cc1 ZINC000350478008 528881481 /nfs/dbraw/zinc/88/14/81/528881481.db2.gz MPGBOZKSOJFXHS-LBPRGKRZSA-N 0 1 262.328 3.705 20 0 CHADMN CCN(Cc1ncc(Cl)s1)[C@@H]1CCOC(C)(C)C1 ZINC000351937210 528889582 /nfs/dbraw/zinc/88/95/82/528889582.db2.gz NTFLWENIVKEKGE-SNVBAGLBSA-N 0 1 288.844 3.576 20 0 CHADMN CC(C)[C@@]1(CO)CCCN(Cc2cc(Cl)cs2)C1 ZINC000354576520 528893712 /nfs/dbraw/zinc/89/37/12/528893712.db2.gz YGJNZYIGDLFMCL-AWEZNQCLSA-N 0 1 287.856 3.632 20 0 CHADMN CC1(C)CCCN(Cc2nc3ccccc3s2)C1 ZINC000353296700 528939516 /nfs/dbraw/zinc/93/95/16/528939516.db2.gz PJEKQAHRAFCIGV-UHFFFAOYSA-N 0 1 260.406 3.918 20 0 CHADMN CC[C@@H](NCc1ccc2ccccc2n1)c1ccncc1 ZINC000344583675 529185385 /nfs/dbraw/zinc/18/53/85/529185385.db2.gz MLQXJXRXEOMEAU-QGZVFWFLSA-N 0 1 277.371 3.871 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1cc(C)ccc1OC ZINC000354835497 529186656 /nfs/dbraw/zinc/18/66/56/529186656.db2.gz WYCPJIOJPQVVIU-QGZVFWFLSA-N 0 1 284.403 3.982 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nc(C)cc(=O)[nH]1)c1ccc(C)cc1 ZINC000192722694 529201057 /nfs/dbraw/zinc/20/10/57/529201057.db2.gz SYRUZLLWELHMCA-DZGCQCFKSA-N 0 1 285.391 3.601 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1Cc1csc(COC)n1 ZINC000353806004 529267319 /nfs/dbraw/zinc/26/73/19/529267319.db2.gz PDDPZXHMZBETMV-GXTWGEPZSA-N 0 1 282.453 3.690 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1Cc1ccc(OC)c(O)c1 ZINC000344921960 529329942 /nfs/dbraw/zinc/32/99/42/529329942.db2.gz FOWSIFIIDVCYKI-KRWDZBQOSA-N 0 1 297.398 3.738 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1Cc1ccc(COC)o1 ZINC000344879794 529330181 /nfs/dbraw/zinc/33/01/81/529330181.db2.gz GPCMZWMIRMKWJB-INIZCTEOSA-N 0 1 285.387 3.763 20 0 CHADMN CCC(CC)CN(CC)C(=O)c1cc2[nH]cnc2cc1F ZINC000341788649 535017724 /nfs/dbraw/zinc/01/77/24/535017724.db2.gz AJXWTWLCRXYPHJ-UHFFFAOYSA-N 0 1 291.370 3.600 20 0 CHADMN CC[C@@H]1CCCN1Cc1csc(-c2ccoc2)n1 ZINC000341948795 535820720 /nfs/dbraw/zinc/82/07/20/535820720.db2.gz VYHJAAFLHMBAIX-CYBMUJFWSA-N 0 1 262.378 3.778 20 0 CHADMN Cc1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000086725234 599993368 /nfs/dbraw/zinc/99/33/68/599993368.db2.gz LAHOJKXKYSDVML-UHFFFAOYSA-N 0 1 283.371 3.634 20 0 CHADMN Cc1oc(C[N@H+](C)C[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000568890954 600144979 /nfs/dbraw/zinc/14/49/79/600144979.db2.gz OJWKRLBOHNMQCH-LBPRGKRZSA-N 0 1 287.359 3.522 20 0 CHADMN Cc1cc(C)cc(C[N@H+](C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000738363226 600210716 /nfs/dbraw/zinc/21/07/16/600210716.db2.gz HAORVNWUZDGTMZ-KRWDZBQOSA-N 0 1 283.371 3.561 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])c(C)o2)o1 ZINC000566358796 600217712 /nfs/dbraw/zinc/21/77/12/600217712.db2.gz MEKFMGHGCFWKHF-CQSZACIVSA-N 0 1 289.331 3.525 20 0 CHADMN CC[N@@H+](CCCC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000116369452 600226346 /nfs/dbraw/zinc/22/63/46/600226346.db2.gz JISUHGNUUAYNGD-GFCCVEGCSA-N 0 1 275.348 3.681 20 0 CHADMN CCCC[N@@H+](CCCC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000116386637 600226781 /nfs/dbraw/zinc/22/67/81/600226781.db2.gz MYZCKJQNJCWGSH-AWEZNQCLSA-N 0 1 263.381 3.715 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000079417721 600319091 /nfs/dbraw/zinc/31/90/91/600319091.db2.gz CKNYBTYHKUKCKH-GFCCVEGCSA-N 0 1 279.355 3.536 20 0 CHADMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(C)c(C(=O)[O-])o1 ZINC000736951516 600448467 /nfs/dbraw/zinc/44/84/67/600448467.db2.gz VSGYFEXDFWEZKJ-INIZCTEOSA-N 0 1 299.370 3.796 20 0 CHADMN CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000736392969 600540976 /nfs/dbraw/zinc/54/09/76/600540976.db2.gz XSQGEKUTBZQWBH-MRXNPFEDSA-N 0 1 287.359 3.807 20 0 CHADMN CC(C)C[C@H]1CCCCC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000584637782 600718577 /nfs/dbraw/zinc/71/85/77/600718577.db2.gz BWWBFFHUHXBNSN-CQSZACIVSA-N 0 1 279.380 3.769 20 0 CHADMN CCCCc1oc2ccccc2c1C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000236921416 600947811 /nfs/dbraw/zinc/94/78/11/600947811.db2.gz AHUMECXOIWANAZ-LBPRGKRZSA-N 0 1 289.375 3.680 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000652390720 600968464 /nfs/dbraw/zinc/96/84/64/600968464.db2.gz BHGPUFDTMHCOLL-ZFWWWQNUSA-N 0 1 299.370 3.603 20 0 CHADMN Cc1ccc([C@@H]2CCCC[N@H+]2Cc2ccoc2C(=O)[O-])o1 ZINC000738581900 600968828 /nfs/dbraw/zinc/96/88/28/600968828.db2.gz GAPXRMGWNNSTIA-ZDUSSCGKSA-N 0 1 289.331 3.606 20 0 CHADMN C/C(=C/C[N@H+]1CCCCC[C@@H]1c1ccccc1)C(=O)[O-] ZINC000825742231 601158018 /nfs/dbraw/zinc/15/80/18/601158018.db2.gz XCYHQMBMKYTLAG-SYCZXOQXSA-N 0 1 273.376 3.635 20 0 CHADMN CC[N@@H+](C/C=C(\C)C(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000829692780 601159176 /nfs/dbraw/zinc/15/91/76/601159176.db2.gz PGXYHDJJNHANJO-CNELAYHGSA-N 0 1 287.359 3.847 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000828424705 601178747 /nfs/dbraw/zinc/17/87/47/601178747.db2.gz RXVKHLBIWSCLQJ-WQGACYEGSA-N 0 1 285.343 3.732 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccoc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000828074986 601182803 /nfs/dbraw/zinc/18/28/03/601182803.db2.gz XZQZIKOPYALTSC-HNNXBMFYSA-N 0 1 285.343 3.561 20 0 CHADMN CC(C)C[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000396960056 601624926 /nfs/dbraw/zinc/62/49/26/601624926.db2.gz YNDKQDLUYKWYGS-CYBMUJFWSA-N 0 1 279.355 3.534 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000565103117 601827659 /nfs/dbraw/zinc/82/76/59/601827659.db2.gz IGXUQKBKMIIKFQ-NQBHXWOUSA-N 0 1 279.405 3.599 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833548529 604533246 /nfs/dbraw/zinc/53/32/46/604533246.db2.gz DOJVCZDWKZNSKZ-JTQLQIEISA-N 0 1 292.766 3.559 20 0 CHADMN C[C@H](c1ccccc1)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135045214 604935931 /nfs/dbraw/zinc/93/59/31/604935931.db2.gz BNIONYSARMKBGD-HIFRSBDPSA-N 0 1 275.392 3.570 20 0 CHADMN C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000223491239 604936552 /nfs/dbraw/zinc/93/65/52/604936552.db2.gz BNIONYSARMKBGD-DZGCQCFKSA-N 0 1 275.392 3.570 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000382527129 605051202 /nfs/dbraw/zinc/05/12/02/605051202.db2.gz HKSQEEXFDGDIKW-NSHDSACASA-N 0 1 277.364 3.717 20 0 CHADMN CC(C)[N@@H+](Cc1ccccc1CC(=O)[O-])C1CCCCC1 ZINC000833499471 605074921 /nfs/dbraw/zinc/07/49/21/605074921.db2.gz WWIDOZUFDJLBEV-UHFFFAOYSA-N 0 1 289.419 3.857 20 0 CHADMN C[C@H]1CC[C@]2(CC[N@@H+](Cc3ccc(C(=O)[O-])c(F)c3)C2)C1 ZINC000570827273 605139952 /nfs/dbraw/zinc/13/99/52/605139952.db2.gz OMTPXDINFBRUBG-SJCJKPOMSA-N 0 1 291.366 3.536 20 0 CHADMN O=C([O-])Nc1cccc(C[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000834269505 605436427 /nfs/dbraw/zinc/43/64/27/605436427.db2.gz WJCOQDXSKYNPQX-INIZCTEOSA-N 0 1 297.358 3.509 20 0 CHADMN C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2F)[C@@H]1c1ccccc1 ZINC000833629444 605838615 /nfs/dbraw/zinc/83/86/15/605838615.db2.gz INCQWNKVQAEEEY-PXAZEXFGSA-N 0 1 299.345 3.717 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2F)[C@@H]1c1ccccc1 ZINC000833629444 605838617 /nfs/dbraw/zinc/83/86/17/605838617.db2.gz INCQWNKVQAEEEY-PXAZEXFGSA-N 0 1 299.345 3.717 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000043455960 948888014 /nfs/dbraw/zinc/88/80/14/948888014.db2.gz JMOCERPZLLVGGM-ZIAGYGMSSA-N 0 1 255.402 3.532 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])s2)CC1 ZINC000079349287 949002010 /nfs/dbraw/zinc/00/20/10/949002010.db2.gz PEQKUAUATKSDSJ-LBPRGKRZSA-N 0 1 281.421 3.704 20 0 CHADMN C[C@@H](Cc1cccs1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000093268768 949170305 /nfs/dbraw/zinc/17/03/05/949170305.db2.gz ZYIQNHMHMJXSGC-LBPRGKRZSA-N 0 1 289.400 3.509 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC=C(c3ccccc3)C2)s1 ZINC001595227539 949323846 /nfs/dbraw/zinc/32/38/46/949323846.db2.gz VQBGUMYACVVWRI-UHFFFAOYSA-N 0 1 299.395 3.736 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000167041980 949453053 /nfs/dbraw/zinc/45/30/53/949453053.db2.gz YJLQCGSSHBOTPP-OAHLLOKOSA-N 0 1 299.773 3.556 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC000251319543 950013983 /nfs/dbraw/zinc/01/39/83/950013983.db2.gz WPZPJOKHKODVLI-PBHICJAKSA-N 0 1 275.392 3.633 20 0 CHADMN Cc1ccoc1CNCc1cccc(Br)c1 ZINC000126735423 1125457535 /nfs/dbraw/zinc/45/75/35/1125457535.db2.gz ZGRXZGLNBVPOHV-UHFFFAOYSA-N 0 1 280.165 3.640 20 0 CHADMN CC[N@@H+](CCC1(C(=O)[O-])CCC1)[C@@H](C)Cc1ccsc1 ZINC001589730471 950498786 /nfs/dbraw/zinc/49/87/86/950498786.db2.gz ILOLMJYGDCLOIG-ZDUSSCGKSA-N 0 1 295.448 3.646 20 0 CHADMN CC[C@H](N[C@@H]1C[C@H]1C(F)F)c1cc(F)ccc1F ZINC000348272339 1125458970 /nfs/dbraw/zinc/45/89/70/1125458970.db2.gz JXTONOUVRLWHFR-ADEWGFFLSA-N 0 1 261.262 3.659 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000322955398 951040088 /nfs/dbraw/zinc/04/00/88/951040088.db2.gz SMQROJFJHJYYHK-QVNOTHCHSA-N 0 1 287.403 3.667 20 0 CHADMN C[N@@H+](Cc1cc(Cl)cs1)C1(C(=O)[O-])CCCCC1 ZINC000381414260 971758901 /nfs/dbraw/zinc/75/89/01/971758901.db2.gz ZHHPEIYLAZEHJL-UHFFFAOYSA-N 0 1 287.812 3.621 20 0 CHADMN CC(C)C[N@@H+](Cc1cccc(C(=O)[O-])c1Cl)C1CC1 ZINC000381504655 971762306 /nfs/dbraw/zinc/76/23/06/971762306.db2.gz JQZSUDDRUSVOJI-UHFFFAOYSA-N 0 1 281.783 3.659 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)CCc2ccccc21 ZINC000404716625 953381003 /nfs/dbraw/zinc/38/10/03/953381003.db2.gz QRFJCSDFBFLZGP-CQSZACIVSA-N 0 1 295.382 3.547 20 0 CHADMN CC(C)c1ccc(CC[N@H+]2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000579567558 953708298 /nfs/dbraw/zinc/70/82/98/953708298.db2.gz JNZURAZJZQJHHN-MRXNPFEDSA-N 0 1 289.419 3.539 20 0 CHADMN C[C@@H]1CCC[N@@H+](C/C=C/c2ccc(Cl)cc2)[C@H]1C(=O)[O-] ZINC001589333905 953970610 /nfs/dbraw/zinc/97/06/10/953970610.db2.gz FSHGGOSWDJVXPJ-BYSCNOHMSA-N 0 1 293.794 3.538 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(-c2cccs2)cc1 ZINC000652465153 954087550 /nfs/dbraw/zinc/08/75/50/954087550.db2.gz HFGYCWKJWVWLEN-UHFFFAOYSA-N 0 1 289.400 3.712 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2)[C@@H]1C(=O)[O-] ZINC000662213431 954384693 /nfs/dbraw/zinc/38/46/93/954384693.db2.gz XKEKQCOJQPJCKJ-BBRMVZONSA-N 0 1 289.419 3.669 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000676232863 954585915 /nfs/dbraw/zinc/58/59/15/954585915.db2.gz IYZQBUFDNXQGCJ-INIZCTEOSA-N 0 1 297.398 3.569 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc(-n3ccnc3)c(F)c2)o1 ZINC000127841827 1125463827 /nfs/dbraw/zinc/46/38/27/1125463827.db2.gz KTGKUKLMLSYEDO-ZDUSSCGKSA-N 0 1 299.349 3.764 20 0 CHADMN CC[C@H](C)[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccccc1 ZINC000387169138 972108681 /nfs/dbraw/zinc/10/86/81/972108681.db2.gz ATKGGGWYKGRCKM-ZDUSSCGKSA-N 0 1 287.359 3.779 20 0 CHADMN O=C([O-])c1cccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)c1 ZINC000883519708 956245561 /nfs/dbraw/zinc/24/55/61/956245561.db2.gz ZLLINDGLPYZUTK-SJORKVTESA-N 0 1 299.345 3.500 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CCc1cccc(Cl)c1 ZINC000901996618 956595990 /nfs/dbraw/zinc/59/59/90/956595990.db2.gz HTEZJSBSGUCOLR-OAHLLOKOSA-N 0 1 295.810 3.602 20 0 CHADMN Cc1cc(C)c(/C=C\C[N@@H+](CC(=O)[O-])C2CCC2)c(C)c1 ZINC000902045045 956628133 /nfs/dbraw/zinc/62/81/33/956628133.db2.gz PYIJIWYYDCILSB-YVMONPNESA-N 0 1 287.403 3.564 20 0 CHADMN CCc1ccc2ccccc2c1C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000903402367 956831408 /nfs/dbraw/zinc/83/14/08/956831408.db2.gz PDJCAOSFTZEOKM-INIZCTEOSA-N 0 1 297.398 3.699 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000903408097 956833444 /nfs/dbraw/zinc/83/34/44/956833444.db2.gz OIRXYKQGVSPODI-WMLDXEAASA-N 0 1 289.419 3.570 20 0 CHADMN CC1CCC([N@@H+](CCC2(C(=O)[O-])CCC2)C2CC2)CC1 ZINC000903696672 956885187 /nfs/dbraw/zinc/88/51/87/956885187.db2.gz LFQVAJLECQAUKF-UHFFFAOYSA-N 0 1 279.424 3.675 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000062015238 957597083 /nfs/dbraw/zinc/59/70/83/957597083.db2.gz DACFXSAGRSKGCF-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000062015128 957597108 /nfs/dbraw/zinc/59/71/08/957597108.db2.gz FTHNYJFYVWZOSQ-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN CCCC[C@H](CC)C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612566 958023561 /nfs/dbraw/zinc/02/35/61/958023561.db2.gz MVVSWAUWOCFQBB-WMLDXEAASA-N 0 1 289.419 3.887 20 0 CHADMN CCC(CC)[N@H+](Cc1cc(C(=O)[O-])oc1C)CC(C)C ZINC000093309305 958244565 /nfs/dbraw/zinc/24/45/65/958244565.db2.gz KZAXBLWBEBOODS-UHFFFAOYSA-N 0 1 281.396 3.933 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000122798983 958489064 /nfs/dbraw/zinc/48/90/64/958489064.db2.gz OVTATECWTFJJDG-LLVKDONJSA-N 0 1 299.773 3.556 20 0 CHADMN Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001594382849 958649397 /nfs/dbraw/zinc/64/93/97/958649397.db2.gz JYXPKQDSTIKDLO-RDTXWAMCSA-N 0 1 297.398 3.691 20 0 CHADMN Cc1cc([C@H](C)Nc2ccc(C(=O)[O-])c(C)[nH+]2)c(C)s1 ZINC000147500962 959000584 /nfs/dbraw/zinc/00/05/84/959000584.db2.gz HAHURJBIQPPLLR-JTQLQIEISA-N 0 1 290.388 3.940 20 0 CHADMN Cc1ccc([C@H](C)Nc2ccc(C(=O)[O-])c(C)[nH+]2)cc1 ZINC000147507770 959004060 /nfs/dbraw/zinc/00/40/60/959004060.db2.gz SRJYFYJTBMYTOW-NSHDSACASA-N 0 1 270.332 3.570 20 0 CHADMN CC[C@@H](C)C[N@@H+](CC)Cc1cc(C(=O)[O-])sc1C ZINC000155991230 959044095 /nfs/dbraw/zinc/04/40/95/959044095.db2.gz OKTUHENBBPXXEW-SNVBAGLBSA-N 0 1 269.410 3.623 20 0 CHADMN CCC(CC)(NCc1ncc[nH]1)c1ccc(Cl)cc1 ZINC000109836372 1125470893 /nfs/dbraw/zinc/47/08/93/1125470893.db2.gz HKGUNLLXPRBZMR-UHFFFAOYSA-N 0 1 277.799 3.868 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001327324364 961153793 /nfs/dbraw/zinc/15/37/93/961153793.db2.gz WLPCYMOKVBKTKT-RISCZKNCSA-N 0 1 281.783 3.588 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000251316452 961246984 /nfs/dbraw/zinc/24/69/84/961246984.db2.gz JMOCERPZLLVGGM-KGLIPLIRSA-N 0 1 255.402 3.532 20 0 CHADMN CCc1nnc([C@@H](C)[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)o1 ZINC000129763157 1125478017 /nfs/dbraw/zinc/47/80/17/1125478017.db2.gz ZXUUTXTWYUADSU-FMKPAKJESA-N 0 1 299.418 3.819 20 0 CHADMN CCc1nnc([C@@H](C)N2CC[C@H](c3ccccc3)[C@H](C)C2)o1 ZINC000129763157 1125478021 /nfs/dbraw/zinc/47/80/21/1125478021.db2.gz ZXUUTXTWYUADSU-FMKPAKJESA-N 0 1 299.418 3.819 20 0 CHADMN CC(C)c1noc([C@H](C)N2CCC3(C2)CCCCC3)n1 ZINC000129880689 1125478457 /nfs/dbraw/zinc/47/84/57/1125478457.db2.gz QOHIAQHIORGIRH-ZDUSSCGKSA-N 0 1 277.412 3.910 20 0 CHADMN CC(C)c1nc(CN[C@]2(CO)CCCC(C)(C)C2)cs1 ZINC000623669512 1117887994 /nfs/dbraw/zinc/88/79/94/1117887994.db2.gz ONHQPBSNFIPBKY-MRXNPFEDSA-N 0 1 296.480 3.687 20 0 CHADMN COC(C)(C)[C@@H]1CCCN1Cc1cccc(Cl)c1F ZINC001137961568 1131442679 /nfs/dbraw/zinc/44/26/79/1131442679.db2.gz RVNYMNHPUCLIEQ-ZDUSSCGKSA-N 0 1 285.790 3.869 20 0 CHADMN C[C@H](CCN1CCC(=O)C(C)(C)C1)CC(C)(C)C ZINC001208667092 1117906355 /nfs/dbraw/zinc/90/63/55/1117906355.db2.gz XNZLQMDQTSJGJO-CYBMUJFWSA-N 0 1 253.430 3.750 20 0 CHADMN C[C@H](c1ccncc1)N(C)Cc1cccc(OC(F)F)c1 ZINC000111206476 1125481407 /nfs/dbraw/zinc/48/14/07/1125481407.db2.gz VWLBTWINHPOOEB-GFCCVEGCSA-N 0 1 292.329 3.876 20 0 CHADMN C[C@@H](C1CC1)N(Cc1csc(-c2ccccn2)n1)C1CC1 ZINC000111683853 1125482998 /nfs/dbraw/zinc/48/29/98/1125482998.db2.gz MBZMWSDEJKPDGA-LBPRGKRZSA-N 0 1 299.443 3.968 20 0 CHADMN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000314630256 963780846 /nfs/dbraw/zinc/78/08/46/963780846.db2.gz ISTSMGAHQWJVDW-QWRGUYRKSA-N 0 1 290.388 3.562 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1csc(C)c1C ZINC000631135259 1118002271 /nfs/dbraw/zinc/00/22/71/1118002271.db2.gz MFKYNNRFZIWHGT-UHFFFAOYSA-N 0 1 278.421 3.995 20 0 CHADMN Fc1cc(F)cc(CCN2CC[C@H](F)C(F)(F)CC2)c1 ZINC001209127920 1118000858 /nfs/dbraw/zinc/00/08/58/1118000858.db2.gz IUFKXJOEIDRFFP-ZDUSSCGKSA-N 0 1 293.279 3.577 20 0 CHADMN Cc1ccc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c(C)c1 ZINC000086755126 967574290 /nfs/dbraw/zinc/57/42/90/967574290.db2.gz KTJQVDAOSBEVPD-MRXNPFEDSA-N 0 1 275.392 3.523 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@@H]2C2CCCCC2)CCC1 ZINC000903697040 969590513 /nfs/dbraw/zinc/59/05/13/969590513.db2.gz PPMWYTXSJDHVNL-OAHLLOKOSA-N 0 1 279.424 3.676 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@@H]2c2cccc(F)c2)CCC1 ZINC000903696101 969590810 /nfs/dbraw/zinc/59/08/10/969590810.db2.gz ARYCFYVKTQCMIA-OAHLLOKOSA-N 0 1 291.366 3.608 20 0 CHADMN Cc1cccc([C@H](C)[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC000393264125 972578817 /nfs/dbraw/zinc/57/88/17/972578817.db2.gz UNEXFUBSOXQCSV-KBXCAEBGSA-N 0 1 295.382 3.740 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N1CCCO[C@@H](C)C1 ZINC000340181491 1118103366 /nfs/dbraw/zinc/10/33/66/1118103366.db2.gz SZKANLMAKYDOMC-RYUDHWBXSA-N 0 1 253.773 3.512 20 0 CHADMN C[C@@]1([NH2+]Cc2cccc([O-])c2Cl)CC=CCC1 ZINC000398232655 1118104211 /nfs/dbraw/zinc/10/42/11/1118104211.db2.gz IPHZGHMSKCIXCT-CQSZACIVSA-N 0 1 251.757 3.634 20 0 CHADMN C[C@H]1CCCC[C@@H]1C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000394816198 972762056 /nfs/dbraw/zinc/76/20/56/972762056.db2.gz ASGJGHMCWCDPNA-UONOGXRCSA-N 0 1 287.403 3.569 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CC[C@H]2c2ccc(Cl)cc2)CCC1 ZINC001605951768 972917349 /nfs/dbraw/zinc/91/73/49/972917349.db2.gz ZVOISWASFKIAKQ-AWEZNQCLSA-N 0 1 293.794 3.732 20 0 CHADMN Cc1ccc(Cl)c(NC[C@H](c2ccsc2)N(C)C)n1 ZINC000765006327 1118130169 /nfs/dbraw/zinc/13/01/69/1118130169.db2.gz UTGKRONOXKXZOA-CYBMUJFWSA-N 0 1 295.839 3.820 20 0 CHADMN O=C([O-])[C@H]([NH2+]Cc1ccc(C2CC2)cc1)c1cccs1 ZINC000417556444 973960343 /nfs/dbraw/zinc/96/03/43/973960343.db2.gz OPPOHOKYBYKSSL-OAHLLOKOSA-N 0 1 287.384 3.541 20 0 CHADMN Cc1sccc1C[NH2+][C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000417566690 973961844 /nfs/dbraw/zinc/96/18/44/973961844.db2.gz RJGSJUJFOGEUPG-HNNXBMFYSA-N 0 1 289.400 3.589 20 0 CHADMN O=C([O-])c1coc(C[NH2+]Cc2ccc(-c3ccccc3)o2)c1 ZINC000426687128 974044282 /nfs/dbraw/zinc/04/42/82/974044282.db2.gz IYZYWRMIMCKEOM-UHFFFAOYSA-N 0 1 297.310 3.528 20 0 CHADMN O=C([O-])c1occc1C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000519637626 974332031 /nfs/dbraw/zinc/33/20/31/974332031.db2.gz DFXCPMAIUUKMPU-CQSZACIVSA-N 0 1 277.364 3.523 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1c(F)cccc1Cl ZINC000530179916 974365035 /nfs/dbraw/zinc/36/50/35/974365035.db2.gz OOUTZHGRYZWHFX-JGPRNRPPSA-N 0 1 299.773 3.553 20 0 CHADMN CCC(C)(C)c1ccc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000565102268 974568964 /nfs/dbraw/zinc/56/89/64/974568964.db2.gz FPZCSEVIEZYTRR-MRXNPFEDSA-N 0 1 289.419 3.813 20 0 CHADMN CC[C@]1(C)CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2C)C1 ZINC000566358827 974607578 /nfs/dbraw/zinc/60/75/78/974607578.db2.gz MNDKDJABHDDNSC-DOTOQJQBSA-N 0 1 275.392 3.633 20 0 CHADMN C[C@H]1CC(C)(C)C[N@H+]1[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000566744185 974620639 /nfs/dbraw/zinc/62/06/39/974620639.db2.gz ZPBGJAJYCSXTIV-GWCFXTLKSA-N 0 1 281.783 3.586 20 0 CHADMN CCC[N@@H+](CCc1cccs1)[C@@H](CC(C)C)C(=O)[O-] ZINC000567905805 974648649 /nfs/dbraw/zinc/64/86/49/974648649.db2.gz RXOGKNFYAWXTDZ-AWEZNQCLSA-N 0 1 283.437 3.502 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000568061636 974657059 /nfs/dbraw/zinc/65/70/59/974657059.db2.gz MQOCQVNCAHFUHK-BBRMVZONSA-N 0 1 293.382 3.710 20 0 CHADMN CC(C)C[C@@H](C)C[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000569228484 974686860 /nfs/dbraw/zinc/68/68/60/974686860.db2.gz BLRZFCZLOUEKOB-CYBMUJFWSA-N 0 1 297.826 3.909 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CC1(C(=O)[O-])CC1 ZINC000571691990 974734434 /nfs/dbraw/zinc/73/44/34/974734434.db2.gz WGTILWGDJMVDIY-NEPJUHHUSA-N 0 1 295.810 3.629 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccoc2C(=O)[O-])cc1 ZINC000572489858 974748933 /nfs/dbraw/zinc/74/89/33/974748933.db2.gz GXJBFHCPBHCMEL-HNNXBMFYSA-N 0 1 285.343 3.623 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000580336536 974892844 /nfs/dbraw/zinc/89/28/44/974892844.db2.gz REUDVZPAMLTPKE-NEPJUHHUSA-N 0 1 279.355 3.534 20 0 CHADMN O=C([O-])c1occc1C[N@@H+](CC1CCCCC1)C1CC1 ZINC000583758197 974945404 /nfs/dbraw/zinc/94/54/04/974945404.db2.gz YRWUEKCKILPWKR-UHFFFAOYSA-N 0 1 277.364 3.523 20 0 CHADMN CCC[C@H](C)CCC[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000629364005 975083890 /nfs/dbraw/zinc/08/38/90/975083890.db2.gz JRYXMGFHJMJHAM-AWEZNQCLSA-N 0 1 269.429 3.922 20 0 CHADMN C/C=C\C[C@H]1CCC[N@@H+](Cc2ccsc2C(=O)[O-])C1 ZINC000629375914 975090200 /nfs/dbraw/zinc/09/02/00/975090200.db2.gz PHASPQIIMZYBQP-DLGQBQFBSA-N 0 1 279.405 3.625 20 0 CHADMN CCC[N@@H+](Cc1ccc(F)cc1)[C@@H](CC(C)C)C(=O)[O-] ZINC000629483633 975092633 /nfs/dbraw/zinc/09/26/33/975092633.db2.gz ISDCQNSUHHSDHD-HNNXBMFYSA-N 0 1 281.371 3.537 20 0 CHADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000634697272 975274761 /nfs/dbraw/zinc/27/47/61/975274761.db2.gz FFSYPSZEPSOWHV-RDJZCZTQSA-N 0 1 287.403 3.715 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)cc1 ZINC000634697851 975275260 /nfs/dbraw/zinc/27/52/60/975275260.db2.gz UGTHVLLTUCJPGU-MRXNPFEDSA-N 0 1 287.403 3.787 20 0 CHADMN O=C([O-])CCCC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000652386239 975518611 /nfs/dbraw/zinc/51/86/11/975518611.db2.gz LFKXYVJXALPKAV-UHFFFAOYSA-N 0 1 293.794 3.684 20 0 CHADMN Cc1cc(F)ccc1C[N@H+](C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000652431397 975529854 /nfs/dbraw/zinc/52/98/54/975529854.db2.gz MCJLWRLXGDZAHO-NSHDSACASA-N 0 1 291.322 3.618 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000652451164 975535946 /nfs/dbraw/zinc/53/59/46/975535946.db2.gz SQPCDYAREHLSJS-QLFBSQMISA-N 0 1 281.440 3.634 20 0 CHADMN CC(C)(CC[N@H+]1CCc2cccc(C(=O)[O-])c2C1)C1CC1 ZINC000656190836 975643292 /nfs/dbraw/zinc/64/32/92/975643292.db2.gz GSWLVOSLRFYQIM-UHFFFAOYSA-N 0 1 287.403 3.569 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1 ZINC000656761171 975689097 /nfs/dbraw/zinc/68/90/97/975689097.db2.gz NAKJGNBELOREJJ-QGZVFWFLSA-N 0 1 287.403 3.787 20 0 CHADMN CC1(C)CC[N@H+]([C@H](C(=O)[O-])c2ccccc2)CC(C)(C)C1 ZINC000656764173 975694660 /nfs/dbraw/zinc/69/46/60/975694660.db2.gz VAMIZBLNSXGOKN-HNNXBMFYSA-N 0 1 289.419 3.961 20 0 CHADMN CC(C)C[C@H](C)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000656765391 975696601 /nfs/dbraw/zinc/69/66/01/975696601.db2.gz KROTZMVIOQPOLM-VGWMRTNUSA-N 0 1 281.440 3.634 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCCCCC2)[C@H]2CCCC[C@H]12 ZINC000656769012 975703489 /nfs/dbraw/zinc/70/34/89/975703489.db2.gz XXQNGYBLIUHFQL-ZACQAIPSSA-N 0 1 293.451 3.922 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@H+](CCCC1CCCC1)C2 ZINC000659790608 975878772 /nfs/dbraw/zinc/87/87/72/975878772.db2.gz CXXWKPALWBYLNV-UHFFFAOYSA-N 0 1 273.376 3.671 20 0 CHADMN CC[C@H](CC(F)F)C[N@@H+](CC1CC1)[C@@](C)(CC)C(=O)[O-] ZINC000659792582 975880578 /nfs/dbraw/zinc/88/05/78/975880578.db2.gz PREGQBOSOAZQSY-ABAIWWIYSA-N 0 1 291.382 3.633 20 0 CHADMN CCC(CC)CCC[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000659802915 975893596 /nfs/dbraw/zinc/89/35/96/975893596.db2.gz ZPBJCIBXGKHMNC-AWEZNQCLSA-N 0 1 257.418 3.634 20 0 CHADMN Cc1cc([C@H](C)[N@@H+](CCC2CC2)CC2CC2)oc1C(=O)[O-] ZINC000659803909 975894772 /nfs/dbraw/zinc/89/47/72/975894772.db2.gz PRZWNQBGQDWCPI-LBPRGKRZSA-N 0 1 291.391 3.859 20 0 CHADMN CC(C)c1[nH]c(C[N@H+]2CCCCC[C@H]2C)cc1C(=O)[O-] ZINC001591913099 976355543 /nfs/dbraw/zinc/35/55/43/976355543.db2.gz XKBMYGLMNCNXRF-GFCCVEGCSA-N 0 1 278.396 3.601 20 0 CHADMN C[N@@H+](Cc1cc(C(=O)[O-])cs1)C1CCCCCC1 ZINC000711379466 977538322 /nfs/dbraw/zinc/53/83/22/977538322.db2.gz UYLSSBADXOVIHA-UHFFFAOYSA-N 0 1 267.394 3.601 20 0 CHADMN C[C@@H](CC(C)(C)CC(=O)[O-])[NH2+]CC(F)(F)c1ccccc1 ZINC001592445381 978112683 /nfs/dbraw/zinc/11/26/83/978112683.db2.gz CTYWPSVJSNNODF-LBPRGKRZSA-N 0 1 299.361 3.648 20 0 CHADMN COC[C@@H](CC(C)(C)C)[NH2+]Cc1cccc([O-])c1Cl ZINC000655843093 1118236513 /nfs/dbraw/zinc/23/65/13/1118236513.db2.gz PUKIRWBLWDQJHB-GFCCVEGCSA-N 0 1 285.815 3.586 20 0 CHADMN C[C@H](CC[N@@H+]([C@H](C)C(=O)[O-])C1CCC1)c1ccccc1 ZINC001592513332 978344360 /nfs/dbraw/zinc/34/43/60/978344360.db2.gz DRPWQVNVBFNZMX-ZIAGYGMSSA-N 0 1 275.392 3.508 20 0 CHADMN C[C@H](N[C@H]1CCC[C@H]1F)c1cnc2ccsc2c1 ZINC000340524412 1118315475 /nfs/dbraw/zinc/31/54/75/1118315475.db2.gz RKAGJDHXBVVPBS-WCQGTBRESA-N 0 1 264.369 3.838 20 0 CHADMN C/C(=C/C[N@@H+]1CCC[C@H](C)[C@@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000846248989 979424750 /nfs/dbraw/zinc/42/47/50/979424750.db2.gz JRCSHTRBXWOSHC-LZRUTDMSSA-N 0 1 287.403 3.799 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1ccccc1CC(=O)[O-] ZINC000846255734 979428037 /nfs/dbraw/zinc/42/80/37/979428037.db2.gz QSQUZIKFYIHRIF-PBHICJAKSA-N 0 1 289.419 3.714 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccc(C2CCC2)cc1 ZINC000846269162 979435086 /nfs/dbraw/zinc/43/50/86/979435086.db2.gz HBJIBFWPNNUREN-UHFFFAOYSA-N 0 1 275.392 3.639 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)[C@H]1C ZINC000859793072 979632460 /nfs/dbraw/zinc/63/24/60/979632460.db2.gz IHTKPXRMZABKID-STQMWFEESA-N 0 1 299.370 3.875 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)ccc1Cl ZINC000871621732 979961331 /nfs/dbraw/zinc/96/13/31/979961331.db2.gz NAWWSCPJBMYOMM-ZDUSSCGKSA-N 0 1 295.810 3.725 20 0 CHADMN Cc1ccc(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)cc1C(=O)[O-] ZINC000872159074 980042312 /nfs/dbraw/zinc/04/23/12/980042312.db2.gz LWQNPTIWFGNHCU-CYBMUJFWSA-N 0 1 275.392 3.561 20 0 CHADMN C[C@@H](C[N@H+]1CCc2cccc(C(=O)[O-])c2C1)CC(C)(C)C ZINC000872160699 980048947 /nfs/dbraw/zinc/04/89/47/980048947.db2.gz LXNXAFVRXBYJEW-CYBMUJFWSA-N 0 1 289.419 3.815 20 0 CHADMN C[C@@H]1CCC[C@H](C)CN1Cc1cccnc1Br ZINC001659104525 1118475901 /nfs/dbraw/zinc/47/59/01/1118475901.db2.gz TYISLGWPDAKPHS-NWDGAFQWSA-N 0 1 297.240 3.855 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000901520569 980338596 /nfs/dbraw/zinc/33/85/96/980338596.db2.gz WVFQFSQVUPPUDI-HFTRVMKXSA-N 0 1 293.451 3.780 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000901542464 980370373 /nfs/dbraw/zinc/37/03/73/980370373.db2.gz FDSPYYXCHDVNOR-PVFIUQGFSA-N 0 1 289.375 3.556 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000901542465 980370616 /nfs/dbraw/zinc/37/06/16/980370616.db2.gz FDSPYYXCHDVNOR-SVFNRXBBSA-N 0 1 289.375 3.556 20 0 CHADMN C[C@H](C[N@H+](Cc1ccccc1)C[C@H]1CC=CCC1)C(=O)[O-] ZINC000901579041 980391282 /nfs/dbraw/zinc/39/12/82/980391282.db2.gz DHIZJVBXVATPDJ-WBVHZDCISA-N 0 1 287.403 3.566 20 0 CHADMN CC1=CCC[C@@H](C)[C@@H]1C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000901744128 980474133 /nfs/dbraw/zinc/47/41/33/980474133.db2.gz BMTPZKWESBYAGE-RDTXWAMCSA-N 0 1 299.414 3.735 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000901965988 980654034 /nfs/dbraw/zinc/65/40/34/980654034.db2.gz AHPMCHQKVJXJAF-HUUCEWRRSA-N 0 1 267.413 3.698 20 0 CHADMN C[N@@H+](CCC(C)(C)C1CC1)[C@H](C(=O)[O-])c1ccccc1 ZINC000901980483 980659583 /nfs/dbraw/zinc/65/95/83/980659583.db2.gz WGECZLFXWIZCLA-HNNXBMFYSA-N 0 1 275.392 3.570 20 0 CHADMN C/C(=C\c1ccccc1)C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000902020333 980696906 /nfs/dbraw/zinc/69/69/06/980696906.db2.gz ZGPWFLAEZZRIHZ-UKYUDJEDSA-N 0 1 275.392 3.521 20 0 CHADMN CCC(CC)C[N@@H+](CC)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902129520 980748945 /nfs/dbraw/zinc/74/89/45/980748945.db2.gz BBFXDPNSZMMTMF-MDZDMXLPSA-N 0 1 279.380 3.636 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])C[C@H]1CC=CCC1 ZINC001595360741 980754581 /nfs/dbraw/zinc/75/45/81/980754581.db2.gz NPVFPBJQPASUAN-DOTOQJQBSA-N 0 1 287.403 3.881 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CC)CCC(C)(C)C(=O)[O-] ZINC001595363129 980778293 /nfs/dbraw/zinc/77/82/93/980778293.db2.gz BMZVRNWZLYATIZ-OAHLLOKOSA-N 0 1 277.408 3.961 20 0 CHADMN CCc1oc(C[N@@H+](C)CCC2CCCCC2)cc1C(=O)[O-] ZINC000902211847 980784712 /nfs/dbraw/zinc/78/47/12/980784712.db2.gz VKRAPOQXNWBMSO-UHFFFAOYSA-N 0 1 293.407 3.942 20 0 CHADMN Cc1ccc([C@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])o3)C2)c(C)c1 ZINC000902449556 980893130 /nfs/dbraw/zinc/89/31/30/980893130.db2.gz BSLIDSJWEFZKQR-AWEZNQCLSA-N 0 1 299.370 3.584 20 0 CHADMN CCC1(CC)C[N@@H+](Cc2csc(C(=O)[O-])c2)CCS1 ZINC001595376137 980902624 /nfs/dbraw/zinc/90/26/24/980902624.db2.gz NKBQLASNZBTPRE-UHFFFAOYSA-N 0 1 299.461 3.554 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2CCC(C)(C)C(=O)[O-])cc1 ZINC000902509733 980914778 /nfs/dbraw/zinc/91/47/78/980914778.db2.gz NVEUOUDFIAYMSF-OAHLLOKOSA-N 0 1 275.392 3.633 20 0 CHADMN CCc1ccc(C[N@@H+](CCC(C)(C)C(=O)[O-])C2CC2)cc1 ZINC000902509286 980914808 /nfs/dbraw/zinc/91/48/08/980914808.db2.gz AFZIDLXEIJZCEF-UHFFFAOYSA-N 0 1 289.419 3.714 20 0 CHADMN Cc1ccc(C[C@@H]2CCC[N@H+]2CCC(C)(C)C(=O)[O-])cc1 ZINC000902516763 980916741 /nfs/dbraw/zinc/91/67/41/980916741.db2.gz KZHHJVVYMHRNHF-INIZCTEOSA-N 0 1 289.419 3.503 20 0 CHADMN C[N@@H+](Cc1ccc(-c2ccccc2C(=O)[O-])o1)C1CCC1 ZINC000902519372 980917320 /nfs/dbraw/zinc/91/73/20/980917320.db2.gz WMGPLMFIYDHPQR-UHFFFAOYSA-N 0 1 285.343 3.629 20 0 CHADMN Cc1cccc([C@H]2CCC[N@H+]2CCC(C)(C)C(=O)[O-])c1C ZINC000902521899 980918868 /nfs/dbraw/zinc/91/88/68/980918868.db2.gz UOJXWRWGNAIESS-MRXNPFEDSA-N 0 1 289.419 3.941 20 0 CHADMN C[C@H]1CC[N@@H+](CCC(C)(C)C(=O)[O-])[C@H](c2ccco2)C1 ZINC000902521432 980919272 /nfs/dbraw/zinc/91/92/72/980919272.db2.gz NLRCIQIQBOBZAR-STQMWFEESA-N 0 1 279.380 3.554 20 0 CHADMN Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000902521265 980919363 /nfs/dbraw/zinc/91/93/63/980919363.db2.gz PLWBVCZKLQDCFT-GJZGRUSLSA-N 0 1 289.419 3.674 20 0 CHADMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)C1 ZINC000902524866 980920904 /nfs/dbraw/zinc/92/09/04/980920904.db2.gz QHAWZIGTFHKWCW-OLZOCXBDSA-N 0 1 298.386 3.553 20 0 CHADMN CCCC1CCC([N@@H+](C)Cc2cc(C(=O)[O-])co2)CC1 ZINC000902538688 980926364 /nfs/dbraw/zinc/92/63/64/980926364.db2.gz WGUNABYORIZKKB-UHFFFAOYSA-N 0 1 279.380 3.769 20 0 CHADMN O=C([O-])/C=C/c1ccc(C[N@H+]2CCCC[C@H]2C2CCC2)o1 ZINC000902535347 980926635 /nfs/dbraw/zinc/92/66/35/980926635.db2.gz YWQXVDNEZIJKNY-SCOAYWHSSA-N 0 1 289.375 3.532 20 0 CHADMN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902545587 980928105 /nfs/dbraw/zinc/92/81/05/980928105.db2.gz IWVHFMCDKJBKKK-MLGOLLRUSA-N 0 1 298.386 3.553 20 0 CHADMN Cc1ccc([C@@H](C)[N@@H+](C)CCC(C)(C)C(=O)[O-])c(C)c1 ZINC000902547130 980928795 /nfs/dbraw/zinc/92/87/95/980928795.db2.gz LRYCMKVDYXWMKB-CQSZACIVSA-N 0 1 277.408 3.797 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)CCc1cccc2ccccc21 ZINC000903594837 980978510 /nfs/dbraw/zinc/97/85/10/980978510.db2.gz HHXJAXUWNSUOIW-RDTXWAMCSA-N 0 1 299.414 3.813 20 0 CHADMN CCC[N@@H+](Cc1ccccc1F)[C@@H](C(=O)[O-])[C@H](C)CC ZINC000903600722 980982864 /nfs/dbraw/zinc/98/28/64/980982864.db2.gz DAIIEHWDNUILQV-IUODEOHRSA-N 0 1 281.371 3.537 20 0 CHADMN CCc1ccccc1CN[C@H](C)c1c(C)noc1C ZINC000092326864 1118583061 /nfs/dbraw/zinc/58/30/61/1118583061.db2.gz OVOAGANPSBSVGC-LLVKDONJSA-N 0 1 258.365 3.705 20 0 CHADMN C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000903631031 981007147 /nfs/dbraw/zinc/00/71/47/981007147.db2.gz JPXJGAKPJHRPNU-DYVFJYSZSA-N 0 1 299.370 3.746 20 0 CHADMN C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1occc1C(=O)[O-] ZINC000903631285 981007750 /nfs/dbraw/zinc/00/77/50/981007750.db2.gz MDBKNQQBNFFXEL-CZUORRHYSA-N 0 1 299.370 3.746 20 0 CHADMN CC[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)[C@H]1C ZINC001595464707 981151718 /nfs/dbraw/zinc/15/17/18/981151718.db2.gz UVPBTYKSCSQAFU-JQWIXIFHSA-N 0 1 281.783 3.659 20 0 CHADMN FC(F)C1CN(Cc2csc3ccccc23)C1 ZINC000656690107 1118638780 /nfs/dbraw/zinc/63/87/80/1118638780.db2.gz BHQRZCGAJZKXAJ-UHFFFAOYSA-N 0 1 253.317 3.598 20 0 CHADMN CC[C@@](C)(C(=O)[O-])[N@@H+](CC1CC1)C[C@@H]1CC2CCC1CC2 ZINC001594784792 981799534 /nfs/dbraw/zinc/79/95/34/981799534.db2.gz HOQKQCJBSVGIQS-NTKFSPQFSA-N 0 1 293.451 3.778 20 0 CHADMN CC[C@](C)(C(=O)[O-])[N@@H+](CCC1CCCCC1)CC1CC1 ZINC001594787354 981816628 /nfs/dbraw/zinc/81/66/28/981816628.db2.gz AXJHAXFJMQZTAO-QGZVFWFLSA-N 0 1 281.440 3.922 20 0 CHADMN CCCCC[C@H]1CCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC001595690708 982200446 /nfs/dbraw/zinc/20/04/46/982200446.db2.gz TXFHPUGIZOXKSJ-ZDUSSCGKSA-N 0 1 281.421 3.991 20 0 CHADMN CCCCCC[N@@H+](CC1CC1)[C@@](C)(CC)C(=O)[O-] ZINC001595709079 982290507 /nfs/dbraw/zinc/29/05/07/982290507.db2.gz SRLRBWBRXHVNRZ-HNNXBMFYSA-N 0 1 255.402 3.532 20 0 CHADMN CCCC[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)[C@@H]1CCC[C@H](C)C1 ZINC001595749146 982420963 /nfs/dbraw/zinc/42/09/63/982420963.db2.gz JZSZVJGWCXCSJD-DZGCQCFKSA-N 0 1 292.423 3.894 20 0 CHADMN CC(C)(C)c1nc(CSCc2ccccc2)n[nH]1 ZINC000430988052 1118805667 /nfs/dbraw/zinc/80/56/67/1118805667.db2.gz JXTLJHSKPDSGDP-UHFFFAOYSA-N 0 1 261.394 3.536 20 0 CHADMN CCC[N@@H+](CC)[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001595864841 982819023 /nfs/dbraw/zinc/81/90/23/982819023.db2.gz JERKKUCSKRTSNV-GFCCVEGCSA-N 0 1 289.297 3.563 20 0 CHADMN CC1(C)C[C@H](c2ccccc2)C[N@H+]1CCCCC(=O)[O-] ZINC000923272250 982854484 /nfs/dbraw/zinc/85/44/84/982854484.db2.gz FISRJFJBKVEWPR-HNNXBMFYSA-N 0 1 275.392 3.509 20 0 CHADMN CCC[N@@H+](Cc1occc1C(=O)[O-])[C@H]1CCc2ccccc21 ZINC001595891121 982924342 /nfs/dbraw/zinc/92/43/42/982924342.db2.gz LNRCUQOSUJMXLF-INIZCTEOSA-N 0 1 299.370 3.877 20 0 CHADMN CC[C@H]1CN(Cc2ccc(C)cc2Cl)CCS1 ZINC001167499767 1118929290 /nfs/dbraw/zinc/92/92/90/1118929290.db2.gz OIBOUOXQQKWRKH-ZDUSSCGKSA-N 0 1 269.841 3.976 20 0 CHADMN C[C@H]1CCCN(Cc2nc(C3CC3)cs2)CC1 ZINC000342671713 1119120468 /nfs/dbraw/zinc/12/04/68/1119120468.db2.gz STIVNBFFMHFMKT-NSHDSACASA-N 0 1 250.411 3.643 20 0 CHADMN CC[N@@H+](Cc1ccoc1C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001596359866 983836444 /nfs/dbraw/zinc/83/64/44/983836444.db2.gz QHLZJEPKWHSMBK-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN CC[N@@H+](Cc1ccsc1C(=O)[O-])[C@H]1CCCC[C@H]1C ZINC001596378778 983899449 /nfs/dbraw/zinc/89/94/49/983899449.db2.gz WNVRPQGWLOCTSP-YPMHNXCESA-N 0 1 281.421 3.847 20 0 CHADMN C[C@@H](N[C@H](C)C1CC1)c1nc(C2CCCCC2)no1 ZINC000237365396 1119157840 /nfs/dbraw/zinc/15/78/40/1119157840.db2.gz NLDCVUMNJXTNSY-GHMZBOCLSA-N 0 1 263.385 3.566 20 0 CHADMN CC(C)[C@H](c1ccccc1)N(C)Cc1cn2cccnc2n1 ZINC000112699367 1125489354 /nfs/dbraw/zinc/48/93/54/1125489354.db2.gz MVOZYCMBFFYRHL-QGZVFWFLSA-N 0 1 294.402 3.558 20 0 CHADMN Cc1nc2cc(Nc3cc(C)cc(O)c3)ccc2[nH]1 ZINC001213075214 1125489869 /nfs/dbraw/zinc/48/98/69/1125489869.db2.gz JKQSHMLPOSXAIE-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN C[C@H](C(=O)[O-])[N@H+](C)Cc1c(Cl)ccc(Cl)c1Cl ZINC001599886123 984638434 /nfs/dbraw/zinc/63/84/34/984638434.db2.gz AISOYUXDDXWYEB-ZCFIWIBFSA-N 0 1 296.581 3.552 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1c(Cl)ccc(Cl)c1Cl ZINC001599886123 984638437 /nfs/dbraw/zinc/63/84/37/984638437.db2.gz AISOYUXDDXWYEB-ZCFIWIBFSA-N 0 1 296.581 3.552 20 0 CHADMN CCN(CCC(F)(F)F)Cc1ccc(COC)cc1 ZINC000092737717 1119346664 /nfs/dbraw/zinc/34/66/64/1119346664.db2.gz LPRSHLZSZBKOGH-UHFFFAOYSA-N 0 1 275.314 3.607 20 0 CHADMN CC(C)(C)c1cnc(CN[C@@]2(C)CC2(C)C)s1 ZINC000657761398 1119359140 /nfs/dbraw/zinc/35/91/40/1119359140.db2.gz KAYKMKXADVKXMA-AWEZNQCLSA-N 0 1 252.427 3.719 20 0 CHADMN CN(CC[C@@H]1CCCO1)Cc1cccc(Cl)c1Cl ZINC000343442006 1119421708 /nfs/dbraw/zinc/42/17/08/1119421708.db2.gz MJEYDIGIEGUJRL-LBPRGKRZSA-N 0 1 288.218 3.994 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(F)cn2)c(C)c1 ZINC000092739830 1119565352 /nfs/dbraw/zinc/56/53/52/1119565352.db2.gz MRUZVQZWRDNVKR-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN CCS[C@@H]1CC[C@H](N(C)Cc2nc3ccccc3[nH]2)C1 ZINC000131927911 1125497485 /nfs/dbraw/zinc/49/74/85/1125497485.db2.gz DQJUZPBNHUNILE-QWHCGFSZSA-N 0 1 289.448 3.669 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](CCCC1CCCCC1)C1CCC1 ZINC001589486288 987025488 /nfs/dbraw/zinc/02/54/88/987025488.db2.gz LLVJMLCNAHDWFB-CYBMUJFWSA-N 0 1 267.413 3.675 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](CC(C)C)c1cccs1 ZINC000685613884 1119638024 /nfs/dbraw/zinc/63/80/24/1119638024.db2.gz WUYLGUYWIMGNFZ-LBPRGKRZSA-N 0 1 263.410 3.657 20 0 CHADMN O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCc2[nH]ncc21 ZINC000132143368 1125499369 /nfs/dbraw/zinc/49/93/69/1125499369.db2.gz SJNVJMKIIJGGLE-OAHLLOKOSA-N 0 1 291.354 3.622 20 0 CHADMN CC[C@@H]([NH2+][C@@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC001597291655 987380744 /nfs/dbraw/zinc/38/07/44/987380744.db2.gz QNXUIGXEPLVIOU-ZIAGYGMSSA-N 0 1 275.373 3.615 20 0 CHADMN O=C(Nc1ccc2ccccc2c1)[C@H]1CCCc2[nH]ncc21 ZINC000132143592 1125499488 /nfs/dbraw/zinc/49/94/88/1125499488.db2.gz SJNVJMKIIJGGLE-HNNXBMFYSA-N 0 1 291.354 3.622 20 0 CHADMN CCc1[nH]c(C[N@H+](C)[C@@H]2CCCC[C@@H]2CC)cc1C(=O)[O-] ZINC001597380220 987570329 /nfs/dbraw/zinc/57/03/29/987570329.db2.gz AWCWSIMVFWOHQE-BLLLJJGKSA-N 0 1 292.423 3.676 20 0 CHADMN CC(C)(C)[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC001589732826 987968597 /nfs/dbraw/zinc/96/85/97/987968597.db2.gz YYPJAFAAEQRTBU-GXTWGEPZSA-N 0 1 295.810 3.834 20 0 CHADMN C[C@]1(CN[C@@H]2COCc3cccc(Cl)c32)CC1(F)F ZINC000926706136 1119832350 /nfs/dbraw/zinc/83/23/50/1119832350.db2.gz RYXNRNZJDJLVLM-DGCLKSJQSA-N 0 1 287.737 3.546 20 0 CHADMN CCCc1nc(CN[C@H]2CC(C)(C)OC2(C)C)cs1 ZINC000132645162 1125504747 /nfs/dbraw/zinc/50/47/47/1125504747.db2.gz MECWRXACASYLPL-LBPRGKRZSA-N 0 1 282.453 3.531 20 0 CHADMN CCc1oc(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC001597792683 989334490 /nfs/dbraw/zinc/33/44/90/989334490.db2.gz FAKOLFXJPIFMCS-NEPJUHHUSA-N 0 1 279.380 3.551 20 0 CHADMN CCCCN1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000376506131 1120018909 /nfs/dbraw/zinc/01/89/09/1120018909.db2.gz JNQNDCRSMHSEED-CYBMUJFWSA-N 0 1 263.385 3.664 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1CCC1CCCCC1 ZINC000659798247 1120112023 /nfs/dbraw/zinc/11/20/23/1120112023.db2.gz CRKLGZBZRWAAEY-IPYPFGDCSA-N 0 1 267.413 3.530 20 0 CHADMN CC(C)[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)[C@@H]1C(C)C ZINC001591096650 991691401 /nfs/dbraw/zinc/69/14/01/991691401.db2.gz NMNBLKLSEJFOLU-GOEBONIOSA-N 0 1 293.382 3.636 20 0 CHADMN Cc1ccnc(NC2CC(C)(C)N(O)C(C)(C)C2)c1C ZINC001167718769 1120186113 /nfs/dbraw/zinc/18/61/13/1120186113.db2.gz BYHMRVIWIYRKAR-UHFFFAOYSA-N 0 1 277.412 3.521 20 0 CHADMN CC(C)C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001591207739 992045229 /nfs/dbraw/zinc/04/52/29/992045229.db2.gz YRUMKQSKKPYBEX-ZDUSSCGKSA-N 0 1 293.382 3.782 20 0 CHADMN CC(C)CC[C@@H]1CCCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC001591227801 992100678 /nfs/dbraw/zinc/10/06/78/992100678.db2.gz LJNDEMVXXISXFT-AWEZNQCLSA-N 0 1 279.380 3.769 20 0 CHADMN CC(C)[N@@H+](CC1(CC(=O)[O-])CC1)[C@@H](C)c1ccsc1 ZINC001591573637 992779096 /nfs/dbraw/zinc/77/90/96/992779096.db2.gz NYXLUAIIBVVHCM-LBPRGKRZSA-N 0 1 281.421 3.774 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)[C@H](C)c1ccccc1 ZINC001591596548 992822849 /nfs/dbraw/zinc/82/28/49/992822849.db2.gz HHTJAGZFHHCDSA-CYBMUJFWSA-N 0 1 286.375 3.685 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccc(F)cc1 ZINC001591596602 992823903 /nfs/dbraw/zinc/82/39/03/992823903.db2.gz JAAIWTPZRHDLOQ-UHFFFAOYSA-N 0 1 291.322 3.528 20 0 CHADMN C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1ccc(C(=O)[O-])o1 ZINC001593197387 994162331 /nfs/dbraw/zinc/16/23/31/994162331.db2.gz JSBLSTXKPPEFOR-IUCAKERBSA-N 0 1 295.285 3.668 20 0 CHADMN C[C@@H](NCc1cnn(C2CCC2)c1)c1ccsc1 ZINC000922107717 1120369054 /nfs/dbraw/zinc/36/90/54/1120369054.db2.gz CLIQWBDUTLZTMH-LLVKDONJSA-N 0 1 261.394 3.520 20 0 CHADMN C[C@]1(F)CCCN([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168721722 1120501501 /nfs/dbraw/zinc/50/15/01/1120501501.db2.gz RQKVDZXJSYWWCM-WFASDCNBSA-N 0 1 267.775 3.631 20 0 CHADMN CCN(Cc1nc(C)oc1C)[C@H](C)Cc1ccsc1 ZINC000660333273 1120508471 /nfs/dbraw/zinc/50/84/71/1120508471.db2.gz IQYWEEOROJTCKM-LLVKDONJSA-N 0 1 278.421 3.806 20 0 CHADMN Cc1cnc(CN[C@@H](C)COCC2CCCCC2)s1 ZINC000922602071 1120560865 /nfs/dbraw/zinc/56/08/65/1120560865.db2.gz HONVUNADZPAKGS-LBPRGKRZSA-N 0 1 282.453 3.527 20 0 CHADMN C[C@@H](c1ccccc1)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001593713815 996224887 /nfs/dbraw/zinc/22/48/87/996224887.db2.gz NNSYGNNFGISVIZ-ZDUSSCGKSA-N 0 1 281.355 3.504 20 0 CHADMN C[C@@H](c1ccccc1F)[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001593716989 996233808 /nfs/dbraw/zinc/23/38/08/996233808.db2.gz GHTYCQVHKLHIJQ-LBPRGKRZSA-N 0 1 299.345 3.643 20 0 CHADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+]1CCCC2(CCCC2)C1 ZINC001593732120 996307706 /nfs/dbraw/zinc/30/77/06/996307706.db2.gz OJSNGYSKMOVVPF-NSHDSACASA-N 0 1 294.420 3.559 20 0 CHADMN CC[C@H](C)N(C)Cc1coc(-c2ccccc2F)n1 ZINC000625254467 1120656709 /nfs/dbraw/zinc/65/67/09/1120656709.db2.gz ZDPGIKNGLDEZSC-NSHDSACASA-N 0 1 262.328 3.711 20 0 CHADMN c1sc(C2CC2)nc1CN1CCC2(CCCC2)C1 ZINC000162078846 1120660256 /nfs/dbraw/zinc/66/02/56/1120660256.db2.gz VROLRRKTBWTIED-UHFFFAOYSA-N 0 1 262.422 3.787 20 0 CHADMN Fc1cc(CN2CCC[C@@H]3CCC[C@@H]32)cc(F)c1F ZINC000511870063 1120680736 /nfs/dbraw/zinc/68/07/36/1120680736.db2.gz BUOURYPVWFMHBB-FZMZJTMJSA-N 0 1 269.310 3.868 20 0 CHADMN CC(C)CCc1nc(CNC2(CCO)CCCC2)cs1 ZINC000660678033 1120676781 /nfs/dbraw/zinc/67/67/81/1120676781.db2.gz HRWDWLPILRQEQU-UHFFFAOYSA-N 0 1 296.480 3.517 20 0 CHADMN FC(F)(F)CCCCN1CCOC(C2CC2)(C2CC2)C1 ZINC000661996420 1120853973 /nfs/dbraw/zinc/85/39/73/1120853973.db2.gz XIVPMWFMXKUTGC-UHFFFAOYSA-N 0 1 291.357 3.610 20 0 CHADMN O=C1CCCC12CCN(Cc1ccccc1Cl)CC2 ZINC000661952933 1120845058 /nfs/dbraw/zinc/84/50/58/1120845058.db2.gz JJHAIDVGCJCZLA-UHFFFAOYSA-N 0 1 277.795 3.675 20 0 CHADMN C[C@H]1CCC[C@@H](CC[N@@H+](C)C2(C(=O)[O-])CCCC2)C1 ZINC001594344885 999304504 /nfs/dbraw/zinc/30/45/04/999304504.db2.gz JVNWDVMAEAPPOL-KBPBESRZSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@H](c1ccc(C(C)(C)C)cc1)N1CCO[C@H](C)C1 ZINC000500576250 1121314559 /nfs/dbraw/zinc/31/45/59/1121314559.db2.gz SWDRKWOZSNHBOZ-KGLIPLIRSA-N 0 1 261.409 3.766 20 0 CHADMN COc1c(F)cc(F)cc1CN1CCC[C@H](C)CC1 ZINC001143552183 1121468898 /nfs/dbraw/zinc/46/88/98/1121468898.db2.gz SZDDJKUVPVPDMD-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CCCC[C@H](C(=O)OC)N1CCC[C@@H]1c1cccs1 ZINC000432981028 1121502206 /nfs/dbraw/zinc/50/22/06/1121502206.db2.gz ZMDBNMVSBWQSJY-CHWSQXEVSA-N 0 1 281.421 3.617 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H]2CCC3(CCC3)O2)c(C)s1 ZINC000711428256 1121530320 /nfs/dbraw/zinc/53/03/20/1121530320.db2.gz VWWXUDPSMBBJTO-GWCFXTLKSA-N 0 1 280.437 3.512 20 0 CHADMN Fc1ccc(F)c(C[C@H]2CCCN2CCC(F)(F)F)c1 ZINC000419293848 1121628556 /nfs/dbraw/zinc/62/85/56/1121628556.db2.gz BKDGJRKNGKYZBR-GFCCVEGCSA-N 0 1 293.279 3.924 20 0 CHADMN CSCC[C@H](C)N(C)Cc1nc2c(s1)CCCC2 ZINC000611464523 1121648510 /nfs/dbraw/zinc/64/85/10/1121648510.db2.gz OUIGCHKJMOMNON-NSHDSACASA-N 0 1 284.494 3.595 20 0 CHADMN Cc1cccc(CCNCc2c(F)cccc2Cl)n1 ZINC000280666578 1121724316 /nfs/dbraw/zinc/72/43/16/1121724316.db2.gz TYXBKKACDSJGRQ-UHFFFAOYSA-N 0 1 278.758 3.515 20 0 CHADMN Cc1occc1CNc1ccc(CN(C)C)c(Cl)c1 ZINC000414450631 1122000482 /nfs/dbraw/zinc/00/04/82/1122000482.db2.gz YGDKJDLRCHXBLR-UHFFFAOYSA-N 0 1 278.783 3.915 20 0 CHADMN C[N@@H+](Cc1ccc(O)c(F)c1)[C@H]1CCC(C)(C)C1 ZINC001181410937 1122052174 /nfs/dbraw/zinc/05/21/74/1122052174.db2.gz UMDATYVCUSRJAG-LBPRGKRZSA-N 0 1 251.345 3.542 20 0 CHADMN C[N@H+](Cc1ccc([O-])c(F)c1)[C@H]1CCC(C)(C)C1 ZINC001181410937 1122052180 /nfs/dbraw/zinc/05/21/80/1122052180.db2.gz UMDATYVCUSRJAG-LBPRGKRZSA-N 0 1 251.345 3.542 20 0 CHADMN C[N@@H+](Cc1ccc([O-])c(F)c1)[C@H]1CCC(C)(C)C1 ZINC001181410937 1122052187 /nfs/dbraw/zinc/05/21/87/1122052187.db2.gz UMDATYVCUSRJAG-LBPRGKRZSA-N 0 1 251.345 3.542 20 0 CHADMN C[C@H](COCC(F)(F)F)N[C@H](C)c1cccc(F)c1F ZINC000271968356 1122184762 /nfs/dbraw/zinc/18/47/62/1122184762.db2.gz MVIMJEWCJQQLAR-RKDXNWHRSA-N 0 1 297.267 3.583 20 0 CHADMN CCc1ncc(C[N@@H+](C)Cc2ccc(CC)cc2)s1 ZINC000505591147 1122429028 /nfs/dbraw/zinc/42/90/28/1122429028.db2.gz QTENHOFCFRXAIP-UHFFFAOYSA-N 0 1 274.433 3.900 20 0 CHADMN CCc1ncc(CN(C)Cc2ccc(CC)cc2)s1 ZINC000505591147 1122429032 /nfs/dbraw/zinc/42/90/32/1122429032.db2.gz QTENHOFCFRXAIP-UHFFFAOYSA-N 0 1 274.433 3.900 20 0 CHADMN CN(Cc1cccs1)Cc1cc(F)cc(F)c1 ZINC000505613178 1122435853 /nfs/dbraw/zinc/43/58/53/1122435853.db2.gz TYXDHADKODBINO-UHFFFAOYSA-N 0 1 253.317 3.658 20 0 CHADMN CC(C)CCN1CCN(c2ccc(F)cc2Cl)CC1 ZINC001192305555 1122639719 /nfs/dbraw/zinc/63/97/19/1122639719.db2.gz XZYNUXKFRVYBMB-UHFFFAOYSA-N 0 1 284.806 3.647 20 0 CHADMN C[C@@H]1CCN(Cc2cc(O)ccc2Cl)CC1(C)C ZINC001193209862 1122681178 /nfs/dbraw/zinc/68/11/78/1122681178.db2.gz JPIWJSWRVKUJKW-LLVKDONJSA-N 0 1 267.800 3.914 20 0 CHADMN C[C@@H]1CCN(Cc2c(F)cccc2F)CC1(C)C ZINC001193210135 1122681182 /nfs/dbraw/zinc/68/11/82/1122681182.db2.gz KENMLVYRBIDXMD-LLVKDONJSA-N 0 1 253.336 3.833 20 0 CHADMN Cc1csc(CN2CCCC3(CCCC3)C2)n1 ZINC000438350715 1122692127 /nfs/dbraw/zinc/69/21/27/1122692127.db2.gz XMMJOSUFTDAMOH-UHFFFAOYSA-N 0 1 250.411 3.608 20 0 CHADMN C[C@@H]1CCCCC[N@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC000775601300 1122718136 /nfs/dbraw/zinc/71/81/36/1122718136.db2.gz RRLPWOLPZFLNET-ABAIWWIYSA-N 0 1 285.790 3.777 20 0 CHADMN Brc1ccc2c(c1)CN(CCCC1CC1)CC2 ZINC001194307510 1122764886 /nfs/dbraw/zinc/76/48/86/1122764886.db2.gz SCLIVZNMFCVFBR-UHFFFAOYSA-N 0 1 294.236 3.997 20 0 CHADMN COc1cc2[nH]c(CCC(C)C)nc2cc1Cl ZINC001250577410 1122782488 /nfs/dbraw/zinc/78/24/88/1122782488.db2.gz RLTVWHCLLBXBNY-UHFFFAOYSA-N 0 1 252.745 3.814 20 0 CHADMN CCCc1csc(CN2CC[C@H](C)[C@@H](C)C2)n1 ZINC000426419551 1122790457 /nfs/dbraw/zinc/79/04/57/1122790457.db2.gz LXYYRJYHKBSBHV-RYUDHWBXSA-N 0 1 252.427 3.574 20 0 CHADMN Cc1cnc(C)c(N=C2CCC(C(F)(F)F)CC2)n1 ZINC001195833917 1122891929 /nfs/dbraw/zinc/89/19/29/1122891929.db2.gz JEIOCEUSQUPZCX-SNVBAGLBSA-N 0 1 271.286 3.752 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CN1CCC(F)(F)[C@H](C)C1 ZINC000894534174 1122870054 /nfs/dbraw/zinc/87/00/54/1122870054.db2.gz LOQLZPVTCIPYSZ-LLVKDONJSA-N 0 1 285.382 3.558 20 0 CHADMN C[C@H]1CCC(F)(F)CN1C[C@H]1CC2CCC1CC2 ZINC001198640637 1123003792 /nfs/dbraw/zinc/00/37/92/1123003792.db2.gz FLSFBXHZYHOBOS-GFJIZPEISA-N 0 1 257.368 3.932 20 0 CHADMN CC[C@@H]1CCN(Cc2ccc(F)c(Br)c2)C1 ZINC000161650167 1123122155 /nfs/dbraw/zinc/12/21/55/1123122155.db2.gz QILOMCAGNVCBMR-SNVBAGLBSA-N 0 1 286.188 3.820 20 0 CHADMN C[C@@H](N[C@@H](C)C1CCSCC1)c1nc(C(C)(C)C)no1 ZINC000192879792 1123192292 /nfs/dbraw/zinc/19/22/92/1123192292.db2.gz NXDLQMQQGCIMNL-WDEREUQCSA-N 0 1 297.468 3.549 20 0 CHADMN CC[C@H]1COCCN1Cc1ccc(C(F)(F)F)cc1C ZINC000443419424 1123398542 /nfs/dbraw/zinc/39/85/42/1123398542.db2.gz RNBIAOTVOOFXSE-AWEZNQCLSA-N 0 1 287.325 3.625 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@@H](C3CCC3)C2)o1 ZINC000852673942 1123411626 /nfs/dbraw/zinc/41/16/26/1123411626.db2.gz PNDDCVWBRONJBH-CQSZACIVSA-N 0 1 262.397 3.810 20 0 CHADMN Cc1cccc(C(=O)Nc2cc(F)cc(Cl)c2O)c1 ZINC000474444796 1123530709 /nfs/dbraw/zinc/53/07/09/1123530709.db2.gz JEJVZMYSFHLFBS-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN Cc1cc(CNC(C)(C)/C=C/Cl)cc(Cl)n1 ZINC000896747625 1123618275 /nfs/dbraw/zinc/61/82/75/1123618275.db2.gz NUSIIHOIMOQXBD-SNAWJCMRSA-N 0 1 259.180 3.664 20 0 CHADMN FC(F)(F)c1nc(CNCCC2CC=CC2)cs1 ZINC000896864007 1123650298 /nfs/dbraw/zinc/65/02/98/1123650298.db2.gz AUIGIVCCSQZYAU-UHFFFAOYSA-N 0 1 276.327 3.608 20 0 CHADMN CCC[C@H](CN[C@@H](C)c1cccnc1Cl)OCC ZINC000858450861 1123655252 /nfs/dbraw/zinc/65/52/52/1123655252.db2.gz KBCDZWRODMFWSV-NWDGAFQWSA-N 0 1 270.804 3.591 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1ccnc(F)c1 ZINC000859097793 1123684228 /nfs/dbraw/zinc/68/42/28/1123684228.db2.gz VRQFZUSYGPMMQA-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN CCCN(C)Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000346987555 1123740200 /nfs/dbraw/zinc/74/02/00/1123740200.db2.gz SJBYDFZSTDFBFZ-UHFFFAOYSA-N 0 1 279.409 3.511 20 0 CHADMN CSCC1CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000896937616 1123788861 /nfs/dbraw/zinc/78/88/61/1123788861.db2.gz WXNMQRIVUGHDCP-UHFFFAOYSA-N 0 1 282.478 3.596 20 0 CHADMN CCCCN(C)Cn1c2ccccc2oc1=S ZINC000864237353 1123919309 /nfs/dbraw/zinc/91/93/09/1123919309.db2.gz URCCIUCNMKDOCU-UHFFFAOYSA-N 0 1 250.367 3.653 20 0 CHADMN CO[C@@]1(C)CCCN(Cc2c(F)cccc2Cl)CC1 ZINC000475557250 1124010332 /nfs/dbraw/zinc/01/03/32/1124010332.db2.gz WZIZWJQRBBSWQC-HNNXBMFYSA-N 0 1 285.790 3.870 20 0 CHADMN C[C@@H]1CN(c2ccncc2C(F)(F)F)CCC1(F)F ZINC000865815584 1124016778 /nfs/dbraw/zinc/01/67/78/1124016778.db2.gz FEOVARRTRLIBNW-MRVPVSSYSA-N 0 1 280.240 3.582 20 0 CHADMN C[C@@H](NCc1ccc(C(C)(C)C)o1)c1ccncc1 ZINC000866574422 1124085540 /nfs/dbraw/zinc/08/55/40/1124085540.db2.gz SZQHGRGIUAONEI-GFCCVEGCSA-N 0 1 258.365 3.823 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CCCCC(C)(C)C1 ZINC000446065854 1124108486 /nfs/dbraw/zinc/10/84/86/1124108486.db2.gz DSBMVVHXSKDWNN-LBPRGKRZSA-N 0 1 279.428 3.940 20 0 CHADMN CCc1ccccc1CN1CC=C(C(F)(F)F)CC1 ZINC000445817310 1124101302 /nfs/dbraw/zinc/10/13/02/1124101302.db2.gz CWEABHKKDGNCRG-UHFFFAOYSA-N 0 1 269.310 3.943 20 0 CHADMN CCCCCC[C@@H](C)n1[nH]c(C[C@@H]2CCCO2)cc1=O ZINC000871960068 1124656147 /nfs/dbraw/zinc/65/61/47/1124656147.db2.gz ULAJZNDIJRNCIL-HIFRSBDPSA-N 0 1 280.412 3.503 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cc(O)ccc2F)s1 ZINC000872025172 1124659537 /nfs/dbraw/zinc/65/95/37/1124659537.db2.gz HTANDGSDRYUTPJ-JTQLQIEISA-N 0 1 265.353 3.752 20 0 CHADMN CCN(Cc1ccncc1F)[C@H](C)Cc1ccsc1 ZINC000449259244 1124677405 /nfs/dbraw/zinc/67/74/05/1124677405.db2.gz QAZPMGXKRMYZQQ-GFCCVEGCSA-N 0 1 278.396 3.735 20 0 CHADMN COCCC1CCN(Cc2cc(F)ccc2Cl)CC1 ZINC000528576628 1124695177 /nfs/dbraw/zinc/69/51/77/1124695177.db2.gz CWSNUUFPDBJNHX-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN CC[C@H](N[C@@H]1CCC[C@H](C(F)(F)F)C1)C(F)F ZINC000449363488 1124712561 /nfs/dbraw/zinc/71/25/61/1124712561.db2.gz PLLSWVCWBISGPK-YIZRAAEISA-N 0 1 259.262 3.741 20 0 CHADMN Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c1F ZINC001138115324 1131467467 /nfs/dbraw/zinc/46/74/67/1131467467.db2.gz IEDJQDSGKPFFQQ-QWHCGFSZSA-N 0 1 265.347 3.895 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H](C)C[C@@H]2C)c1F ZINC001138119739 1131468823 /nfs/dbraw/zinc/46/88/23/1131468823.db2.gz RFQBRSYKNGBZNV-JQWIXIFHSA-N 0 1 253.336 3.894 20 0 CHADMN Cc1cnc(CN2CC3(CCCC3)[C@H]2C(C)C)s1 ZINC000449790941 1124874878 /nfs/dbraw/zinc/87/48/78/1124874878.db2.gz MVJBLPVCMFKLJW-CQSZACIVSA-N 0 1 264.438 3.852 20 0 CHADMN CCOC[C@H]1CCN(Cc2ccsc2C(F)(F)F)C1 ZINC000529529355 1124981351 /nfs/dbraw/zinc/98/13/51/1124981351.db2.gz KOVJRYFOZQXEDQ-JTQLQIEISA-N 0 1 293.354 3.625 20 0 CHADMN CCc1cnc(CN(C)CC[C@H]2CCCC2(F)F)s1 ZINC000878161562 1125124938 /nfs/dbraw/zinc/12/49/38/1125124938.db2.gz WCKVFNPAPIFGFJ-LLVKDONJSA-N 0 1 288.407 3.963 20 0 CHADMN Cc1nc2c(n1CC[C@@H]1CCCC1(F)F)CCCC2 ZINC000882173904 1125338655 /nfs/dbraw/zinc/33/86/55/1125338655.db2.gz PBERKBBDZYTXRO-LBPRGKRZSA-N 0 1 268.351 3.896 20 0 CHADMN CO[C@]1(C)CCCN([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000348232465 1125423218 /nfs/dbraw/zinc/42/32/18/1125423218.db2.gz PWCCTZWPSCWGQU-IAQYHMDHSA-N 0 1 269.335 3.527 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc2c(cc1Cl)OCO2 ZINC001138245078 1131480921 /nfs/dbraw/zinc/48/09/21/1131480921.db2.gz RQLJRAUOSMQOEK-LBPRGKRZSA-N 0 1 281.783 3.833 20 0 CHADMN Cc1cc(CN2CCC[C@]3(CCSC3)C2)cnc1Cl ZINC000825215591 1131501863 /nfs/dbraw/zinc/50/18/63/1131501863.db2.gz SBNKZTSBJMBMQR-HNNXBMFYSA-N 0 1 296.867 3.763 20 0 CHADMN CCCOC1CCN(Cc2cc(F)cc(F)c2C)CC1 ZINC001143764178 1131530101 /nfs/dbraw/zinc/53/01/01/1131530101.db2.gz MOSPUUKOBFDOKN-UHFFFAOYSA-N 0 1 283.362 3.664 20 0 CHADMN C[C@@]1(CN2CCOCC23CCCCC3)CC1(Cl)Cl ZINC000832180606 1131545125 /nfs/dbraw/zinc/54/51/25/1131545125.db2.gz UZCRPGVKXZSNIV-LBPRGKRZSA-N 0 1 292.250 3.605 20 0 CHADMN CCCCc1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)s1 ZINC001138753493 1131545556 /nfs/dbraw/zinc/54/55/56/1131545556.db2.gz UHUYRWCMIYANRQ-CQDKDKBSSA-N 0 1 267.413 3.881 20 0 CHADMN CO[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2C)C1 ZINC001143917755 1131553696 /nfs/dbraw/zinc/55/36/96/1131553696.db2.gz OQSJBKJKPVGXMF-ZDUSSCGKSA-N 0 1 287.325 3.625 20 0 CHADMN COc1cc(CN2CCC(C)(C)C2)ccc1Br ZINC001144229826 1131603268 /nfs/dbraw/zinc/60/32/68/1131603268.db2.gz CAOIRVITXDDPKV-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN C[N@H+](Cc1cc(Cl)cnc1Cl)CC1CCC1 ZINC001139354956 1131604110 /nfs/dbraw/zinc/60/41/10/1131604110.db2.gz FKWANQFTQAFWAE-UHFFFAOYSA-N 0 1 259.180 3.620 20 0 CHADMN CN(Cc1cc(Cl)cnc1Cl)CC1CCC1 ZINC001139354956 1131604111 /nfs/dbraw/zinc/60/41/11/1131604111.db2.gz FKWANQFTQAFWAE-UHFFFAOYSA-N 0 1 259.180 3.620 20 0 CHADMN C[C@@]1(CF)CCN(Cc2ccc(O)cc2C(F)(F)F)C1 ZINC001144381281 1131623265 /nfs/dbraw/zinc/62/32/65/1131623265.db2.gz NNARPFINATWPLD-ZDUSSCGKSA-N 0 1 291.288 3.593 20 0 CHADMN FC(F)c1ccccc1CN1CCC(F)(F)CC1 ZINC001139795616 1131636794 /nfs/dbraw/zinc/63/67/94/1131636794.db2.gz GJUDMSVJVLFWMD-UHFFFAOYSA-N 0 1 261.262 3.855 20 0 CHADMN N[C@H]1CCN(C2CCC3(CCCCC3)CC2)CC1(F)F ZINC001246833387 1131786523 /nfs/dbraw/zinc/78/65/23/1131786523.db2.gz FRVAAVIVUIFESM-AWEZNQCLSA-N 0 1 286.410 3.548 20 0 CHADMN CC[C@H](C)C[C@H](C)NC(=O)c1ccc(Cl)c(O)c1 ZINC001147859841 1131837967 /nfs/dbraw/zinc/83/79/67/1131837967.db2.gz BSCAHPLPIZEGJC-UWVGGRQHSA-N 0 1 269.772 3.600 20 0 CHADMN COc1cccc(Cl)c1CN(CC1CC1)C1CC1 ZINC001140730327 1131900754 /nfs/dbraw/zinc/90/07/54/1131900754.db2.gz GUHWRLBDPVRDMY-UHFFFAOYSA-N 0 1 265.784 3.723 20 0 CHADMN CCCC[C@@H](C)Oc1ccc(F)cc1CN(C)C ZINC001229855268 1132125936 /nfs/dbraw/zinc/12/59/36/1132125936.db2.gz VYIJTEFOAMHABB-GFCCVEGCSA-N 0 1 253.361 3.845 20 0 CHADMN CCCCCC[C@@H](CCC)N1CCc2cnn(C)c2C1 ZINC001172382368 1132207509 /nfs/dbraw/zinc/20/75/09/1132207509.db2.gz FBEOOBYJONJEID-MRXNPFEDSA-N 0 1 277.456 3.917 20 0 CHADMN CCCCCC[C@@H](CCCC)Nc1nccnc1CN ZINC001172517995 1132261559 /nfs/dbraw/zinc/26/15/59/1132261559.db2.gz VOYKPKHQVMNNQE-CQSZACIVSA-N 0 1 278.444 3.876 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCC[C@H]1C(C)C ZINC001231414127 1132292747 /nfs/dbraw/zinc/29/27/47/1132292747.db2.gz GMCCICMDYZIZHI-AWEZNQCLSA-N 0 1 269.335 3.594 20 0 CHADMN F[C@@H]1CCCC[C@H]1N[C@H]1CCc2nc(Cl)ccc21 ZINC000840875963 1132299961 /nfs/dbraw/zinc/29/99/61/1132299961.db2.gz LNDWBOVGLRAMKN-NTZNESFSSA-N 0 1 268.763 3.593 20 0 CHADMN Cc1c(F)ccc(CN2CC[C@@]3(CC3(F)F)C2)c1F ZINC001231477743 1132297875 /nfs/dbraw/zinc/29/78/75/1132297875.db2.gz QBMQSTJBXGGKKW-CYBMUJFWSA-N 0 1 273.273 3.504 20 0 CHADMN C[C@@H]1CCN(Cc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC001231582434 1132318198 /nfs/dbraw/zinc/31/81/98/1132318198.db2.gz MGMQKLZWAMIBKC-VXGBXAGGSA-N 0 1 264.438 3.642 20 0 CHADMN C(c1nc2c(s1)CCCC2)N1CCCCC12CC2 ZINC001231583639 1132319032 /nfs/dbraw/zinc/31/90/32/1132319032.db2.gz OPWPHIVWFFEMME-UHFFFAOYSA-N 0 1 262.422 3.540 20 0 CHADMN Cc1cc(CN[C@@H](C)CSc2ccc(Cl)cc2)on1 ZINC001172876007 1132353837 /nfs/dbraw/zinc/35/38/37/1132353837.db2.gz UWTYFIWRAXSIEO-NSHDSACASA-N 0 1 296.823 3.907 20 0 CHADMN CCN(Cc1c(Cl)nccc1OC)C1CCCCC1 ZINC001232151799 1132428447 /nfs/dbraw/zinc/42/84/47/1132428447.db2.gz KIBZBBORCJWAKD-UHFFFAOYSA-N 0 1 282.815 3.898 20 0 CHADMN CCSC[C@H](C)NCc1nccc(Cl)c1Cl ZINC001173298856 1132446493 /nfs/dbraw/zinc/44/64/93/1132446493.db2.gz OEUYHJJEYZZFCV-QMMMGPOBSA-N 0 1 279.236 3.620 20 0 CHADMN Clc1csc(CN2CC[C@@]3(C2)CCCCO3)c1 ZINC001232278423 1132448996 /nfs/dbraw/zinc/44/89/96/1132448996.db2.gz MVLYABXQDMPQPZ-CYBMUJFWSA-N 0 1 271.813 3.547 20 0 CHADMN CC[C@H]1CCCN(Cc2ccc(Br)nc2C)C1 ZINC001232323489 1132453923 /nfs/dbraw/zinc/45/39/23/1132453923.db2.gz CNGSOBQVTCKPIF-LBPRGKRZSA-N 0 1 297.240 3.775 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(Br)c2N)[C@H](C)C1 ZINC001232525373 1132484297 /nfs/dbraw/zinc/48/42/97/1132484297.db2.gz JOPCEKXAHAUOKP-GHMZBOCLSA-N 0 1 297.240 3.652 20 0 CHADMN CC(C)CN(C)Cc1ccc(C(F)(F)F)nc1Cl ZINC001232790533 1132520737 /nfs/dbraw/zinc/52/07/37/1132520737.db2.gz RVBVLTXFCQBLRU-UHFFFAOYSA-N 0 1 280.721 3.842 20 0 CHADMN C[C@H]1CCCCN(Cc2cc(O)cc(Br)c2)C1 ZINC001232994238 1132559483 /nfs/dbraw/zinc/55/94/83/1132559483.db2.gz PYCXHLWDCZYEIS-NSHDSACASA-N 0 1 298.224 3.777 20 0 CHADMN CO[C@@H]1CCCN(Cc2c(Cl)cccc2SC)C1 ZINC001233350259 1132608850 /nfs/dbraw/zinc/60/88/50/1132608850.db2.gz AOMJXXYNPGSGAT-LLVKDONJSA-N 0 1 285.840 3.673 20 0 CHADMN CCCN(CCOC)Cc1cc(C(F)(F)F)ccc1F ZINC001204471210 1133450690 /nfs/dbraw/zinc/45/06/90/1133450690.db2.gz MFNWFXRLKDKHNO-UHFFFAOYSA-N 0 1 293.304 3.703 20 0 CHADMN COc1ccc2c(c1)CN(CCCC1CCCC1)C2 ZINC001208091595 1133874240 /nfs/dbraw/zinc/87/42/40/1133874240.db2.gz MIRHVNRGJUBYBM-UHFFFAOYSA-N 0 1 259.393 3.981 20 0 CHADMN COC(C)(C)CCC[C@@H](C)CCN1CCC(=O)[C@@H](C)C1 ZINC001208201240 1133906442 /nfs/dbraw/zinc/90/64/42/1133906442.db2.gz AMSWCXYHXMCOGL-CABCVRRESA-N 0 1 283.456 3.519 20 0 CHADMN CCC[C@H](C(=O)c1ccccc1)N(C)CCC1CC1 ZINC001208686503 1133927413 /nfs/dbraw/zinc/92/74/13/1133927413.db2.gz LWPYQXCXRIJKBF-MRXNPFEDSA-N 0 1 259.393 3.770 20 0 CHADMN Oc1c(Cl)cc(Nc2ccnn2CCF)cc1Cl ZINC001210927119 1134329687 /nfs/dbraw/zinc/32/96/87/1134329687.db2.gz LKUJNWYVTKOUMA-UHFFFAOYSA-N 0 1 290.125 3.609 20 0 CHADMN Oc1c(Cl)ccc(Nc2ncc(F)cc2F)c1F ZINC001214793424 1134573657 /nfs/dbraw/zinc/57/36/57/1134573657.db2.gz DSEFYLRPCZQHAK-UHFFFAOYSA-N 0 1 274.629 3.602 20 0 CHADMN COc1cc(Nc2ccc(Cl)c(O)c2F)ccc1O ZINC001214798918 1134575771 /nfs/dbraw/zinc/57/57/71/1134575771.db2.gz BJAROAFHGHWVRW-UHFFFAOYSA-N 0 1 283.686 3.643 20 0 CHADMN CCc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccnc(N)c2)o1 ZINC000331935909 1125510780 /nfs/dbraw/zinc/51/07/80/1125510780.db2.gz QKQOPZDEOYTYFD-CJNGLKHVSA-N 0 1 299.418 3.623 20 0 CHADMN CCOc1cccc(CN2CCC[C@@H]2c2ccccn2)c1 ZINC000536629491 1125510823 /nfs/dbraw/zinc/51/08/23/1125510823.db2.gz SGRCYJLLBAWASW-GOSISDBHSA-N 0 1 282.387 3.817 20 0 CHADMN CCn1ccnc1CN1CCC[C@@H]1c1cc(C)ccc1C ZINC000133652639 1125512623 /nfs/dbraw/zinc/51/26/23/1125512623.db2.gz MQCDVMUOTKWTDJ-QGZVFWFLSA-N 0 1 283.419 3.857 20 0 CHADMN CCCCc1noc([C@H](C)N2CCCC[C@H](SC)C2)n1 ZINC000134604453 1125518742 /nfs/dbraw/zinc/51/87/42/1125518742.db2.gz IUVKXYGQNMDFGL-STQMWFEESA-N 0 1 297.468 3.691 20 0 CHADMN C[C@H]1SCCN(Cc2ccccn2)[C@H]1c1ccccc1 ZINC000118534540 1125522571 /nfs/dbraw/zinc/52/25/71/1125522571.db2.gz PLXOKKNUNLVAJG-RHSMWYFYSA-N 0 1 284.428 3.760 20 0 CHADMN CSC[C@H]1CCCN1Cc1nc(C(C)(C)C)cs1 ZINC000135445130 1125525527 /nfs/dbraw/zinc/52/55/27/1125525527.db2.gz HTEQJFWKWXNAAE-LLVKDONJSA-N 0 1 284.494 3.768 20 0 CHADMN Cc1cc[nH+]c(C)c1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211960546 1125525967 /nfs/dbraw/zinc/52/59/67/1125525967.db2.gz GEDWJNYAVYKBKL-UHFFFAOYSA-N 0 1 276.723 3.794 20 0 CHADMN COc1cc(Cl)nc(Nc2ccc3[nH]c(C)[nH+]c3c2)c1 ZINC001213072175 1125526612 /nfs/dbraw/zinc/52/66/12/1125526612.db2.gz GKLOHIHQJBVUGK-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN COc1cc(Cl)nc(Nc2ccc3nc(C)[nH]c3c2)c1 ZINC001213072175 1125526618 /nfs/dbraw/zinc/52/66/18/1125526618.db2.gz GKLOHIHQJBVUGK-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN C[C@@H](NCc1cccn1C)c1ccc(F)cc1Cl ZINC000119328031 1125533060 /nfs/dbraw/zinc/53/30/60/1125533060.db2.gz XAAHKWBHNRFFGW-SNVBAGLBSA-N 0 1 266.747 3.668 20 0 CHADMN COc1c(Cl)cccc1CN[C@H](C)c1ccncc1 ZINC000901652478 1129237736 /nfs/dbraw/zinc/23/77/36/1129237736.db2.gz JBFPPPHJGNMTKW-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN Cc1cc(F)ccc1CN1CCC[C@H]1c1ccccn1 ZINC000536629619 1125536978 /nfs/dbraw/zinc/53/69/78/1125536978.db2.gz UGXXQIPRMPPOFG-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CCN(Cc1cccc(OC(F)F)c1)Cc1ccccn1 ZINC000119764449 1125538259 /nfs/dbraw/zinc/53/82/59/1125538259.db2.gz BLMODPDIPNSNSV-UHFFFAOYSA-N 0 1 292.329 3.705 20 0 CHADMN CC[C@@H](C)C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000120214971 1125542772 /nfs/dbraw/zinc/54/27/72/1125542772.db2.gz LMHJDBVOCUOFMT-ZIAGYGMSSA-N 0 1 299.418 3.623 20 0 CHADMN CN(CCc1ccccn1)Cc1cccc(Cl)c1F ZINC000120783125 1125552915 /nfs/dbraw/zinc/55/29/15/1125552915.db2.gz SSZUSBOYWHLQPR-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN Cc1ccc(CNC(C)(C)c2ccc(F)cc2)nc1 ZINC000134278981 1125550505 /nfs/dbraw/zinc/55/05/05/1125550505.db2.gz RXVWUMAEQBELNN-UHFFFAOYSA-N 0 1 258.340 3.554 20 0 CHADMN COc1ccc(CN(Cc2scnc2C)C2CC2)cc1 ZINC000120732592 1125551404 /nfs/dbraw/zinc/55/14/04/1125551404.db2.gz ZLSFUYLUESWFLQ-UHFFFAOYSA-N 0 1 288.416 3.625 20 0 CHADMN C[N@@H+](CCc1ccccn1)Cc1cccc(Cl)c1F ZINC000120783125 1125552910 /nfs/dbraw/zinc/55/29/10/1125552910.db2.gz SSZUSBOYWHLQPR-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN Cc1cc(OC(C)C)cc(C)c1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001238676079 1131230789 /nfs/dbraw/zinc/23/07/89/1131230789.db2.gz HZZAVXCVZLCAKC-ZVZYQTTQSA-N 0 1 291.410 3.880 20 0 CHADMN CCO[C@@H]1CCN(Cc2cc(Cl)ccc2SC)C1 ZINC001238681791 1131230820 /nfs/dbraw/zinc/23/08/20/1131230820.db2.gz UESITDMCGYXGIB-CYBMUJFWSA-N 0 1 285.840 3.673 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N(C)CCc1ccncc1 ZINC000194425599 1125554751 /nfs/dbraw/zinc/55/47/51/1125554751.db2.gz UGQQWHOAPRMVHU-LBPRGKRZSA-N 0 1 276.330 3.595 20 0 CHADMN CCCCCC(C)(C)CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000134492666 1125563777 /nfs/dbraw/zinc/56/37/77/1125563777.db2.gz UKICMVLAWPYDKY-ZDUSSCGKSA-N 0 1 291.439 3.552 20 0 CHADMN N#CCOc1ccc(CNCc2sccc2Cl)cc1 ZINC000193089655 1125565534 /nfs/dbraw/zinc/56/55/34/1125565534.db2.gz GVNNAWCWYCSUED-UHFFFAOYSA-N 0 1 292.791 3.594 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cnc(C3CC3)nc2)cc1 ZINC000459383139 1125568973 /nfs/dbraw/zinc/56/89/73/1125568973.db2.gz FKDIUWAWBWBSSN-CYBMUJFWSA-N 0 1 267.376 3.513 20 0 CHADMN CCN(Cc1cnn(C(C)C)c1)Cc1ccc(C)cc1 ZINC000536638612 1125570625 /nfs/dbraw/zinc/57/06/25/1125570625.db2.gz HUJNEFHZECUUSG-UHFFFAOYSA-N 0 1 271.408 3.795 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1Cc1nc([C@H](C)OCC)no1 ZINC000245430858 1125571881 /nfs/dbraw/zinc/57/18/81/1125571881.db2.gz AJARYHANCWYADO-HZSPNIEDSA-N 0 1 295.427 3.568 20 0 CHADMN CC(C)=CCSc1nc(-c2ccccc2F)n[nH]1 ZINC000509676551 1125572868 /nfs/dbraw/zinc/57/28/68/1125572868.db2.gz BPHASFZBSHEUIF-UHFFFAOYSA-N 0 1 263.341 3.669 20 0 CHADMN CCn1cc(CN(C)[C@H]2CCCc3ccc(F)cc32)cn1 ZINC000532794600 1125582879 /nfs/dbraw/zinc/58/28/79/1125582879.db2.gz XCLSFGCEVCRYJM-KRWDZBQOSA-N 0 1 287.382 3.552 20 0 CHADMN CSc1cc(C)cc(CN2CCC[C@H]2c2cnccn2)c1 ZINC001238680696 1131230929 /nfs/dbraw/zinc/23/09/29/1131230929.db2.gz BBAKVNWNYVXXIA-KRWDZBQOSA-N 0 1 299.443 3.844 20 0 CHADMN Cc1ccc2nc(CN3CC[C@H](C(F)(F)F)C3)ccc2c1 ZINC001137215914 1125596034 /nfs/dbraw/zinc/59/60/34/1125596034.db2.gz QNWNXLPDEMHRTB-ZDUSSCGKSA-N 0 1 294.320 3.927 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H]1CCc2c1nccc2Cl ZINC000925291044 1125605879 /nfs/dbraw/zinc/60/58/79/1125605879.db2.gz ARTLLPVCTIJTOD-XHDPSFHLSA-N 0 1 287.794 3.777 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CCCC(C)(C)CC1 ZINC000533437937 1125605911 /nfs/dbraw/zinc/60/59/11/1125605911.db2.gz VNGWUXZEIQOAIX-GFCCVEGCSA-N 0 1 279.428 3.940 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2CC(=O)c2cccn2C)cc1 ZINC000533431405 1125607229 /nfs/dbraw/zinc/60/72/29/1125607229.db2.gz KLMBNSULFHCLQG-KRWDZBQOSA-N 0 1 296.414 3.743 20 0 CHADMN CC[C@]1(C)CCN(Cc2nc(C)c3ccccc3n2)C1 ZINC000533482926 1125610054 /nfs/dbraw/zinc/61/00/54/1125610054.db2.gz CAZAYOMXOIFJEF-QGZVFWFLSA-N 0 1 269.392 3.560 20 0 CHADMN Cc1ccc(-c2nc(CN(C)CCC3CC3)co2)cc1 ZINC000533539450 1125613313 /nfs/dbraw/zinc/61/33/13/1125613313.db2.gz BWDRAGXPVRIAFL-UHFFFAOYSA-N 0 1 270.376 3.882 20 0 CHADMN CN(C[C@H]1CC1(C)C)c1ccncc1C(F)(F)F ZINC000864088968 1125622878 /nfs/dbraw/zinc/62/28/78/1125622878.db2.gz KMTRNOZELFKKOG-SECBINFHSA-N 0 1 258.287 3.583 20 0 CHADMN Cc1ccn2cc(CNCc3c(C)cccc3C)nc2c1 ZINC001649171416 1125623439 /nfs/dbraw/zinc/62/34/39/1125623439.db2.gz RKQWNKBLDOXQSB-UHFFFAOYSA-N 0 1 279.387 3.549 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@@H](c3ccccc3)[C@H]2C)n1 ZINC000246396775 1125623963 /nfs/dbraw/zinc/62/39/63/1125623963.db2.gz JEKNILCTLFLUDE-VNHYZAJKSA-N 0 1 285.391 3.571 20 0 CHADMN Fc1ccc(CNCc2ccccc2OCC(F)F)cc1 ZINC000885889941 1125624494 /nfs/dbraw/zinc/62/44/94/1125624494.db2.gz XJIOISPJRMAUMT-UHFFFAOYSA-N 0 1 295.304 3.759 20 0 CHADMN Cc1n[nH]c(CN[C@H](C)c2cccc(C(F)(F)F)c2)c1C ZINC000885891310 1125625228 /nfs/dbraw/zinc/62/52/28/1125625228.db2.gz BJIVYZOSSGFBEK-LLVKDONJSA-N 0 1 297.324 3.896 20 0 CHADMN CCCOc1ccc(CNCc2cc(C)co2)cc1 ZINC000885924818 1125626798 /nfs/dbraw/zinc/62/67/98/1125626798.db2.gz VJOXSAURGKLUJT-UHFFFAOYSA-N 0 1 259.349 3.667 20 0 CHADMN Cc1[nH]nc(CNc2cc(Br)ccc2C)c1C ZINC000885929421 1125627754 /nfs/dbraw/zinc/62/77/54/1125627754.db2.gz QCKDZMVLGXSKOZ-UHFFFAOYSA-N 0 1 294.196 3.710 20 0 CHADMN CC(C)c1cc(C(=O)N(C2CC2)C2CCC(C)CC2)n[nH]1 ZINC000068258702 1125628078 /nfs/dbraw/zinc/62/80/78/1125628078.db2.gz BSARGRWKLZKXSU-UHFFFAOYSA-N 0 1 289.423 3.716 20 0 CHADMN CC[C@@H](C)Oc1cccc(NCc2n[nH]c(C)c2C)c1 ZINC000885941722 1125628872 /nfs/dbraw/zinc/62/88/72/1125628872.db2.gz FEKQMXQKDLAKIL-LLVKDONJSA-N 0 1 273.380 3.816 20 0 CHADMN Cc1csc([C@@H](C)NC/C=C\c2cccc(F)c2)n1 ZINC000885967138 1125631986 /nfs/dbraw/zinc/63/19/86/1125631986.db2.gz IHMIRDWESCDDRO-TXNVCOODSA-N 0 1 276.380 3.955 20 0 CHADMN CCC[C@H]1CCCN([C@H](C)c2nc(C3CC3)no2)C1 ZINC000246437394 1125634893 /nfs/dbraw/zinc/63/48/93/1125634893.db2.gz DCJNCTCIHISEQN-NEPJUHHUSA-N 0 1 263.385 3.520 20 0 CHADMN C[C@@H]1CCCN1[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000072875961 1125637236 /nfs/dbraw/zinc/63/72/36/1125637236.db2.gz GSTLIVOEIIYBHH-QAPCUYQASA-N 0 1 294.398 3.851 20 0 CHADMN CC[C@@H](N[C@@H](C)c1snnc1C)c1ccc(C)cc1 ZINC000930183377 1125637956 /nfs/dbraw/zinc/63/79/56/1125637956.db2.gz ONLBAOCJHSUEQA-SMDDNHRTSA-N 0 1 275.421 3.957 20 0 CHADMN COCC[C@H](NC/C=C\c1cccc(F)c1)c1ccco1 ZINC000886059793 1125641926 /nfs/dbraw/zinc/64/19/26/1125641926.db2.gz LUAQOXSATZUISY-UYZDIKGJSA-N 0 1 289.350 3.799 20 0 CHADMN Cc1coc(-c2cc(NCc3n[nH]c(C)c3C)ccc2C)n1 ZINC000886040204 1125639236 /nfs/dbraw/zinc/63/92/36/1125639236.db2.gz UESSFLJQWBXSHX-UHFFFAOYSA-N 0 1 296.374 3.910 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@H]2OCCC[C@H]2C1 ZINC000246498206 1125642712 /nfs/dbraw/zinc/64/27/12/1125642712.db2.gz DXZQUEBQBINQPM-TYNCELHUSA-N 0 1 281.346 3.527 20 0 CHADMN CC[C@@H](NCc1cc(C)co1)c1ccc(OC)c(OC)c1 ZINC000886114661 1125651031 /nfs/dbraw/zinc/65/10/31/1125651031.db2.gz UICXXGNVOOVTMA-OAHLLOKOSA-N 0 1 289.375 3.846 20 0 CHADMN Cc1[nH]nc(CNC(C)(C)c2cccc(Cl)c2F)c1C ZINC000886068123 1125643324 /nfs/dbraw/zinc/64/33/24/1125643324.db2.gz RYGLQUSTJNGAIN-UHFFFAOYSA-N 0 1 295.789 3.844 20 0 CHADMN Cc1n[nH]c(CNCc2ccc(C(F)(F)F)cc2C)c1C ZINC000886083015 1125644798 /nfs/dbraw/zinc/64/47/98/1125644798.db2.gz FIWBEKJASGKRGC-UHFFFAOYSA-N 0 1 297.324 3.644 20 0 CHADMN CCCNc1ccc(CNCc2ccc(Cl)cn2)cc1 ZINC000886091852 1125645919 /nfs/dbraw/zinc/64/59/19/1125645919.db2.gz IDWMPYUAHVZBCM-UHFFFAOYSA-N 0 1 289.810 3.847 20 0 CHADMN COc1cccc(F)c1Nc1ccc2nc(C)[nH]c2c1 ZINC001213075438 1125646055 /nfs/dbraw/zinc/64/60/55/1125646055.db2.gz SPAAWEVOIKWJMP-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN CC(=O)c1ccc(Nc2ccc3[nH]c(C)nc3c2)c(F)c1 ZINC001213075450 1125646361 /nfs/dbraw/zinc/64/63/61/1125646361.db2.gz STEDHZHKFSLGRJ-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN CC(=O)c1ccc(Nc2ccc3nc(C)[nH]c3c2)c(F)c1 ZINC001213075450 1125646364 /nfs/dbraw/zinc/64/63/64/1125646364.db2.gz STEDHZHKFSLGRJ-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN CC(=O)c1cc(F)ccc1Nc1ccc2[nH]c(C)nc2c1 ZINC001213075414 1125646743 /nfs/dbraw/zinc/64/67/43/1125646743.db2.gz RZJPTUSHZWONNJ-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN C[C@H]1CN(Cc2cscn2)CC[C@H]1c1ccccc1 ZINC000246765167 1125648845 /nfs/dbraw/zinc/64/88/45/1125648845.db2.gz NUYOMWLLINSKKO-XJKSGUPXSA-N 0 1 272.417 3.769 20 0 CHADMN CC(C)C[C@H]1CCCN([C@H](C)c2nc(C3CC3)no2)C1 ZINC000246831583 1125649625 /nfs/dbraw/zinc/64/96/25/1125649625.db2.gz AIADAXKHTWNZFJ-CHWSQXEVSA-N 0 1 277.412 3.766 20 0 CHADMN Cc1cc(CN2CC[C@H](c3ccccc3)[C@@H](C)C2)no1 ZINC000246943546 1125652000 /nfs/dbraw/zinc/65/20/00/1125652000.db2.gz QWHSGVKXUKSSRP-GUYCJALGSA-N 0 1 270.376 3.609 20 0 CHADMN Cc1[nH]nc(CNc2ccccc2C(C)(F)F)c1C ZINC000886132413 1125654114 /nfs/dbraw/zinc/65/41/14/1125654114.db2.gz XSXBBHUVAOVJFQ-UHFFFAOYSA-N 0 1 265.307 3.750 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@H]2CC[C@@H](C3CC3)O2)cs1 ZINC000886129414 1125654185 /nfs/dbraw/zinc/65/41/85/1125654185.db2.gz FBDFGJSNPWYEQL-LNSITVRQSA-N 0 1 294.464 3.875 20 0 CHADMN CCOc1ccc(Cl)c(NCc2n[nH]c(C)c2C)c1 ZINC000886132211 1125654278 /nfs/dbraw/zinc/65/42/78/1125654278.db2.gz RWVCHIBRFUFSPC-UHFFFAOYSA-N 0 1 279.771 3.691 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@@H]2CC[C@H](C3CC3)O2)cs1 ZINC000886129413 1125654289 /nfs/dbraw/zinc/65/42/89/1125654289.db2.gz FBDFGJSNPWYEQL-CORIIIEPSA-N 0 1 294.464 3.875 20 0 CHADMN CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H]2CCCCO2)s1 ZINC000246933107 1125654326 /nfs/dbraw/zinc/65/43/26/1125654326.db2.gz QKGRMGRNVQNPCT-CHWSQXEVSA-N 0 1 282.453 3.576 20 0 CHADMN C[C@@H]1CCN(Cc2ccccn2)[C@@H](c2ccco2)C1 ZINC000247197286 1125654935 /nfs/dbraw/zinc/65/49/35/1125654935.db2.gz BXMPQRZSWPUYID-UKRRQHHQSA-N 0 1 256.349 3.648 20 0 CHADMN CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@H]2CCCCO2)s1 ZINC000246933129 1125655063 /nfs/dbraw/zinc/65/50/63/1125655063.db2.gz QKGRMGRNVQNPCT-QWHCGFSZSA-N 0 1 282.453 3.576 20 0 CHADMN CSc1cc(C)ccc1NCc1n[nH]c(C)c1C ZINC000886145384 1125655643 /nfs/dbraw/zinc/65/56/43/1125655643.db2.gz XAECPILPPQYCQQ-UHFFFAOYSA-N 0 1 261.394 3.669 20 0 CHADMN C[C@H]1CCCN(Cc2cc(-c3ccco3)on2)[C@H]1C ZINC000247115020 1125656856 /nfs/dbraw/zinc/65/68/56/1125656856.db2.gz YNBXXZSIHJXREH-RYUDHWBXSA-N 0 1 260.337 3.555 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2F)N(Cc2ccncc2)C1 ZINC000075901369 1125660804 /nfs/dbraw/zinc/66/08/04/1125660804.db2.gz FPRXMHVZBPXMCQ-DYVFJYSZSA-N 0 1 270.351 3.804 20 0 CHADMN CCS[C@H](C)c1noc(CN(C)[C@H]2CCC[C@H](C)C2)n1 ZINC000248120026 1125662269 /nfs/dbraw/zinc/66/22/69/1125662269.db2.gz NFCGQCRYDWWTKH-XQQFMLRXSA-N 0 1 297.468 3.894 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1CC[C@@H](C)[C@@H]1C ZINC000248369445 1125664594 /nfs/dbraw/zinc/66/45/94/1125664594.db2.gz WGWONPBOWPWCQN-OUAUKWLOSA-N 0 1 277.393 3.589 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccccn2)o1 ZINC000076120324 1125668400 /nfs/dbraw/zinc/66/84/00/1125668400.db2.gz CPJCYNJCKSJRSD-BBRMVZONSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2cccnc2)o1 ZINC000076120246 1125668764 /nfs/dbraw/zinc/66/87/64/1125668764.db2.gz PVKIWWNSZZXMNW-XJKSGUPXSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccncc2)o1 ZINC000076120901 1125669295 /nfs/dbraw/zinc/66/92/95/1125669295.db2.gz RHUNWTVRBZLIQP-XJKSGUPXSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@H]2N[C@H](CCO)c1ccco1 ZINC000248908245 1125676302 /nfs/dbraw/zinc/67/63/02/1125676302.db2.gz BODLCJQSQCNGAC-FVQBIDKESA-N 0 1 285.387 3.850 20 0 CHADMN CC(C)[C@H](Cc1ccccc1)NCc1nc(C2CCC2)no1 ZINC000886422065 1125678463 /nfs/dbraw/zinc/67/84/63/1125678463.db2.gz BMQRDXRISPICQJ-INIZCTEOSA-N 0 1 299.418 3.694 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCC[C@@H](C)CC2)n1 ZINC000249832681 1125682529 /nfs/dbraw/zinc/68/25/29/1125682529.db2.gz PRMXCHGTQUHRDT-CHWSQXEVSA-N 0 1 265.401 3.595 20 0 CHADMN Cc1nc(CN2CC[C@H](C)[C@@H]2c2ccccc2)oc1C ZINC000886546185 1125688972 /nfs/dbraw/zinc/68/89/72/1125688972.db2.gz ZMSLKNHMSDUCLH-YVEFUNNKSA-N 0 1 270.376 3.875 20 0 CHADMN CC(C)(C)c1ncc(CN[C@H]2CCCc3occc32)cn1 ZINC000284269227 1125689937 /nfs/dbraw/zinc/68/99/37/1125689937.db2.gz GUYUJCBATPTJFN-AWEZNQCLSA-N 0 1 285.391 3.534 20 0 CHADMN C[C@H](N[C@@H]1CCc2cccnc21)c1ccc2c(c1)CCCO2 ZINC000886640179 1125701558 /nfs/dbraw/zinc/70/15/58/1125701558.db2.gz TXXMJGSNUROBGR-SUMWQHHRSA-N 0 1 294.398 3.745 20 0 CHADMN CCCN(CCC)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000622274777 1129243423 /nfs/dbraw/zinc/24/34/23/1129243423.db2.gz ZQUJOFIFDAFLHC-UHFFFAOYSA-N 0 1 299.418 3.956 20 0 CHADMN Clc1ccccc1CN1CCC[C@@H](c2ncccn2)C1 ZINC000886674344 1125705814 /nfs/dbraw/zinc/70/58/14/1125705814.db2.gz JVIHEVDXSPDLPY-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN C[C@@H](CSC(C)(C)C)NCc1cc(C2CC2)no1 ZINC000886682687 1125706483 /nfs/dbraw/zinc/70/64/83/1125706483.db2.gz NBFSSHQGPOYLDF-JTQLQIEISA-N 0 1 268.426 3.562 20 0 CHADMN CCOCc1ccccc1CNCc1ccccc1F ZINC000037500941 1125710781 /nfs/dbraw/zinc/71/07/81/1125710781.db2.gz LLOKKCVVDAVADK-UHFFFAOYSA-N 0 1 273.351 3.652 20 0 CHADMN CCSC[C@@H](C)N(C)Cc1ncccc1C(F)(F)F ZINC000093739271 1125726074 /nfs/dbraw/zinc/72/60/74/1125726074.db2.gz RESOAQHRCPRDFQ-SNVBAGLBSA-N 0 1 292.370 3.674 20 0 CHADMN OC1(C[C@H]2CCCCN2Cc2cscn2)CCCCC1 ZINC000887037329 1125731968 /nfs/dbraw/zinc/73/19/68/1125731968.db2.gz ZDVYTNYJVXMPSF-OAHLLOKOSA-N 0 1 294.464 3.583 20 0 CHADMN CN(Cc1ccco1)Cc1ccc(OCC(F)F)cc1 ZINC000162145191 1125737715 /nfs/dbraw/zinc/73/77/15/1125737715.db2.gz BPMRRNBAJJJHTB-UHFFFAOYSA-N 0 1 281.302 3.556 20 0 CHADMN Nc1ncc(CN2CCC[C@@H]2c2ccccc2Cl)s1 ZINC000261713037 1125741706 /nfs/dbraw/zinc/74/17/06/1125741706.db2.gz DYVZEOHNBFYPEG-CYBMUJFWSA-N 0 1 293.823 3.716 20 0 CHADMN COc1ccccc1[C@@H](NC1CCCC1)c1ccco1 ZINC000090535042 1125742528 /nfs/dbraw/zinc/74/25/28/1125742528.db2.gz FEGHBULYOIMWDS-QGZVFWFLSA-N 0 1 271.360 3.910 20 0 CHADMN C[C@H](c1cc2ccccc2o1)c1nc(C2(N)CCCC2)no1 ZINC000261795965 1125744742 /nfs/dbraw/zinc/74/47/42/1125744742.db2.gz OVQHPBBZLWLVBH-LLVKDONJSA-N 0 1 297.358 3.696 20 0 CHADMN COCCCOc1cccc(CN[C@H](C)c2ccco2)c1 ZINC000090719017 1125745901 /nfs/dbraw/zinc/74/59/01/1125745901.db2.gz JBJFCRRIXPLDQM-CQSZACIVSA-N 0 1 289.375 3.546 20 0 CHADMN C[C@@H](c1nc(C2(N)CCCC2)no1)c1cccc(Cl)c1 ZINC000261899083 1125746432 /nfs/dbraw/zinc/74/64/32/1125746432.db2.gz YJKAEKSAYPNCGD-SNVBAGLBSA-N 0 1 291.782 3.603 20 0 CHADMN C[C@@H](NCc1cccnc1OCC(F)F)c1cccs1 ZINC000090942468 1125746562 /nfs/dbraw/zinc/74/65/62/1125746562.db2.gz IAXYMWAHMIPKHO-SNVBAGLBSA-N 0 1 298.358 3.638 20 0 CHADMN CCc1ccc([C@H](C)NCc2cccc(N(C)C)n2)s1 ZINC000090852121 1125747110 /nfs/dbraw/zinc/74/71/10/1125747110.db2.gz AYWZZIILVVSGDV-LBPRGKRZSA-N 0 1 289.448 3.622 20 0 CHADMN COc1ccccc1[C@H](N[C@@H](C)C(C)C)c1ccccn1 ZINC000090913597 1125747232 /nfs/dbraw/zinc/74/72/32/1125747232.db2.gz XUOXRXBZKFPBKX-KSSFIOAISA-N 0 1 284.403 3.814 20 0 CHADMN COc1cc(F)cc(CN[C@H](C)c2cc(F)cc(F)c2)c1 ZINC000090972416 1125747651 /nfs/dbraw/zinc/74/76/51/1125747651.db2.gz KMQRVONXTZQILE-SNVBAGLBSA-N 0 1 295.304 3.963 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1csc(-c2ccoc2)n1 ZINC000091098053 1125747960 /nfs/dbraw/zinc/74/79/60/1125747960.db2.gz OPXDVHJOJFPBCF-ZDUSSCGKSA-N 0 1 296.461 3.977 20 0 CHADMN Cc1ccc(O[C@H](C)CN[C@H](C)c2nccs2)cc1 ZINC000091729896 1125752196 /nfs/dbraw/zinc/75/21/96/1125752196.db2.gz QUNOKEZPAXISCO-CHWSQXEVSA-N 0 1 276.405 3.570 20 0 CHADMN Cc1ccc(O[C@@H](C)CN[C@H](C)c2nccs2)cc1 ZINC000091729894 1125751156 /nfs/dbraw/zinc/75/11/56/1125751156.db2.gz QUNOKEZPAXISCO-QWHCGFSZSA-N 0 1 276.405 3.570 20 0 CHADMN Fc1cc2cccnc2c(CNCc2ccccc2F)c1 ZINC000130051694 1125751499 /nfs/dbraw/zinc/75/14/99/1125751499.db2.gz JFRGUFTWBQOERR-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN Cc1cccc(O[C@H](C)CN[C@H](C)c2nccs2)c1 ZINC000091729459 1125752517 /nfs/dbraw/zinc/75/25/17/1125752517.db2.gz OLOUBLDYSBCCKY-CHWSQXEVSA-N 0 1 276.405 3.570 20 0 CHADMN C[C@@H](NC1(C2CC2)CCC1)c1noc(-c2ccccc2)n1 ZINC000887148784 1125755020 /nfs/dbraw/zinc/75/50/20/1125755020.db2.gz WBLBHOROKLQRSM-GFCCVEGCSA-N 0 1 283.375 3.720 20 0 CHADMN Cc1nc(C)c(CN2Cc3ccccc3OC3(CCC3)C2)o1 ZINC000887149570 1125755570 /nfs/dbraw/zinc/75/55/70/1125755570.db2.gz BHPAHZCFUSJFRJ-UHFFFAOYSA-N 0 1 298.386 3.609 20 0 CHADMN Fc1ccc([C@@H](CC(F)(F)F)NCc2cc[nH]c2)cc1 ZINC000092850735 1125762416 /nfs/dbraw/zinc/76/24/16/1125762416.db2.gz USIAFDLTTHERLG-CYBMUJFWSA-N 0 1 286.272 3.937 20 0 CHADMN CC(=O)Nc1ccccc1CN(C)Cc1ccc(C)s1 ZINC000093049431 1125764481 /nfs/dbraw/zinc/76/44/81/1125764481.db2.gz HVLUORRRYMYDQP-UHFFFAOYSA-N 0 1 288.416 3.647 20 0 CHADMN CCc1nc2c(s1)[C@@H](N(C)Cc1cccn1C)CCC2 ZINC000093768069 1125773287 /nfs/dbraw/zinc/77/32/87/1125773287.db2.gz FFKBKTXLABNCNE-AWEZNQCLSA-N 0 1 289.448 3.553 20 0 CHADMN COc1ccc(F)cc1CN(C)Cc1ccc(C)cc1 ZINC000508704280 1125777072 /nfs/dbraw/zinc/77/70/72/1125777072.db2.gz RVOQSRLKKCEZEC-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN CCO[C@@H]1C[C@@H](N(C)Cc2cccc(O)c2Cl)C1(C)C ZINC000508711446 1125780961 /nfs/dbraw/zinc/78/09/61/1125780961.db2.gz ZAAQMCFXBCNUIY-ZIAGYGMSSA-N 0 1 297.826 3.681 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccc(OC)c(F)c2)o1 ZINC000122339813 1125787061 /nfs/dbraw/zinc/78/70/61/1125787061.db2.gz LVFJGYHMPYWBQB-NSHDSACASA-N 0 1 277.339 3.841 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1C[C@H]2[C@H](CC2(F)F)C1 ZINC001238695957 1131232786 /nfs/dbraw/zinc/23/27/86/1131232786.db2.gz SMKUDZFPFQKALJ-OCCSQVGLSA-N 0 1 299.336 3.700 20 0 CHADMN CO[C@H]1CCN(Cc2ccc(F)cc2OC(C)C)[C@@H](C)C1 ZINC001238698108 1131232953 /nfs/dbraw/zinc/23/29/53/1131232953.db2.gz DYUWQLHCPKFIHP-BBRMVZONSA-N 0 1 295.398 3.612 20 0 CHADMN CO[C@@H]1CCN(Cc2ccc(F)cc2OC(C)C)[C@@H](C)C1 ZINC001238698114 1131233071 /nfs/dbraw/zinc/23/30/71/1131233071.db2.gz DYUWQLHCPKFIHP-XJKSGUPXSA-N 0 1 295.398 3.612 20 0 CHADMN CCc1cccc(CNCc2ccc(SC)o2)c1 ZINC000641769440 1129390872 /nfs/dbraw/zinc/39/08/72/1129390872.db2.gz GYYIBVPIAYQQIF-UHFFFAOYSA-N 0 1 261.390 3.854 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2cc(F)cc(N3CCCC3)c2)C1 ZINC001238703619 1131234669 /nfs/dbraw/zinc/23/46/69/1131234669.db2.gz JTBJOKSYSJLWST-GUYCJALGSA-N 0 1 294.389 3.606 20 0 CHADMN Cc1nccc(N2C[C@H](C)OC3(CCCC3)C2)c1Cl ZINC000645405116 1129497052 /nfs/dbraw/zinc/49/70/52/1129497052.db2.gz BKMWYSGBPPPNRE-NSHDSACASA-N 0 1 280.799 3.581 20 0 CHADMN Nc1c(Cl)cc(Cl)cc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000385964399 1129189707 /nfs/dbraw/zinc/18/97/07/1129189707.db2.gz LCPQVNAIKPIYCM-ZANVPECISA-N 0 1 285.218 3.950 20 0 CHADMN c1cc(CC2CN(Cc3scnc3C3CC3)C2)cs1 ZINC000621741141 1129189726 /nfs/dbraw/zinc/18/97/26/1129189726.db2.gz DDYDQSCGPVANCO-UHFFFAOYSA-N 0 1 290.457 3.757 20 0 CHADMN CCCc1nc(C)c(CN2CCC3(CC3(F)F)CC2)o1 ZINC000649773229 1129676293 /nfs/dbraw/zinc/67/62/93/1129676293.db2.gz KZIRKVYACPMABZ-UHFFFAOYSA-N 0 1 284.350 3.557 20 0 CHADMN COC[C@@H](CC(C)(C)C)NC1(c2nc(C)cs2)CCC1 ZINC000652176588 1129759291 /nfs/dbraw/zinc/75/92/91/1129759291.db2.gz LCAPMQQSONCTBT-CYBMUJFWSA-N 0 1 296.480 3.872 20 0 CHADMN CC[C@@H](CC1CCCCC1)C(=O)N(C)Cc1cn[nH]c1C ZINC000636067048 1129197889 /nfs/dbraw/zinc/19/78/89/1129197889.db2.gz LPJHUYUSFNCWSC-HNNXBMFYSA-N 0 1 291.439 3.673 20 0 CHADMN C[C@@H](N[C@@H](C)CC(F)(F)F)c1cccnc1Cl ZINC000768271150 1129849085 /nfs/dbraw/zinc/84/90/85/1129849085.db2.gz JPMGXIMVZPCEEV-JGVFFNPUSA-N 0 1 266.694 3.727 20 0 CHADMN Brc1ccoc1CN1CC[C@H](c2ccco2)C1 ZINC000769387752 1129905197 /nfs/dbraw/zinc/90/51/97/1129905197.db2.gz AYPSLVCUEHJMIA-JTQLQIEISA-N 0 1 296.164 3.625 20 0 CHADMN CCOc1cc(CN2CCC23CCCCC3)c(F)cn1 ZINC001238723028 1131236453 /nfs/dbraw/zinc/23/64/53/1131236453.db2.gz DRDAOHSUUFVONK-UHFFFAOYSA-N 0 1 278.371 3.528 20 0 CHADMN CSc1ncc(C)cc1CN1CC(c2ccccc2)C1 ZINC001238718393 1131237131 /nfs/dbraw/zinc/23/71/31/1131237131.db2.gz NGJCUURHRVBGJZ-UHFFFAOYSA-N 0 1 284.428 3.711 20 0 CHADMN CCOc1ccc(C)c(CN2CCOc3ccccc3C2)c1 ZINC001238718016 1131237429 /nfs/dbraw/zinc/23/74/29/1131237429.db2.gz UYKHNUQJPXLTLO-UHFFFAOYSA-N 0 1 297.398 3.788 20 0 CHADMN Cc1cc(C)c(NC(=O)CN(C)CCC2CC2)c(Cl)c1 ZINC000135310134 1126716998 /nfs/dbraw/zinc/71/69/98/1126716998.db2.gz IKUYNBKRJFWOQE-UHFFFAOYSA-N 0 1 294.826 3.627 20 0 CHADMN Cc1nc(CN(C)C[C@H]2CCCC(F)(F)C2)cs1 ZINC000338240260 1126726324 /nfs/dbraw/zinc/72/63/24/1126726324.db2.gz VLOGWECVQLHJPO-NSHDSACASA-N 0 1 274.380 3.709 20 0 CHADMN CN(Cc1nccn1C(F)F)C[C@H]1CCCC(F)(F)C1 ZINC000338265410 1126728675 /nfs/dbraw/zinc/72/86/75/1126728675.db2.gz XFEQRXDZCCMNQI-JTQLQIEISA-N 0 1 293.308 3.536 20 0 CHADMN Cc1cc(Cl)ccc1CN(C)Cc1cccnc1 ZINC000136818919 1126731831 /nfs/dbraw/zinc/73/18/31/1126731831.db2.gz DSKFZFVKPVGGCV-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1cc(Cl)ccc1CN(C)Cc1ccncc1 ZINC000136914621 1126732308 /nfs/dbraw/zinc/73/23/08/1126732308.db2.gz DTLWCFWYXWTIFB-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN COCc1ccc([C@@H]2CCCN2Cc2scnc2C)o1 ZINC000137071773 1126734240 /nfs/dbraw/zinc/73/42/40/1126734240.db2.gz MSSZNGSCKGHFCP-ZDUSSCGKSA-N 0 1 292.404 3.528 20 0 CHADMN Cc1cc(CN2CCCC[C@H]2c2n[nH]c(C)n2)c(C)s1 ZINC000338334468 1126735245 /nfs/dbraw/zinc/73/52/45/1126735245.db2.gz VUMSRELPRDCKIU-AWEZNQCLSA-N 0 1 290.436 3.519 20 0 CHADMN Cc1cc(C(=O)CN(C)[C@@H](C)C2CCCCC2)c(C)[nH]1 ZINC000338340254 1126735914 /nfs/dbraw/zinc/73/59/14/1126735914.db2.gz DXYHIYIDKVPNFT-AWEZNQCLSA-N 0 1 276.424 3.715 20 0 CHADMN Cc1cc(C(=O)CN(C)[C@H](C)C2CCCCC2)c(C)[nH]1 ZINC000338340260 1126736128 /nfs/dbraw/zinc/73/61/28/1126736128.db2.gz DXYHIYIDKVPNFT-CQSZACIVSA-N 0 1 276.424 3.715 20 0 CHADMN C[C@@H](NCCOc1ccc(Cl)cc1)c1ccncc1F ZINC000338352679 1126736689 /nfs/dbraw/zinc/73/66/89/1126736689.db2.gz YFILNFPOWRYEOM-LLVKDONJSA-N 0 1 294.757 3.604 20 0 CHADMN Clc1cccnc1CN1CC[C@H]2CCCC[C@@H]2C1 ZINC001118814488 1131237891 /nfs/dbraw/zinc/23/78/91/1131237891.db2.gz DGOBETXMDHEJBP-CHWSQXEVSA-N 0 1 264.800 3.747 20 0 CHADMN Oc1ccc([C@@H]2CCCN2Cc2nc3ccccc3o2)cc1 ZINC000138859114 1126746799 /nfs/dbraw/zinc/74/67/99/1126746799.db2.gz MZZVLKSRFPWNDJ-INIZCTEOSA-N 0 1 294.354 3.871 20 0 CHADMN Cc1cc(C)c2c(c1)[C@H](NCc1cccnc1)CCCO2 ZINC000151098151 1126750136 /nfs/dbraw/zinc/75/01/36/1126750136.db2.gz YMWZTJAROOAOAO-QGZVFWFLSA-N 0 1 282.387 3.702 20 0 CHADMN CC[C@H](NCc1c(C)nn(C)c1C)c1cc(F)ccc1F ZINC000151137597 1126750768 /nfs/dbraw/zinc/75/07/68/1126750768.db2.gz XYVOKKPGZVGISP-INIZCTEOSA-N 0 1 293.361 3.556 20 0 CHADMN Cc1cccc2[nH]c(C[N@H+]3CCC[C@@H](OCC4CC4)C3)cc21 ZINC000668010718 1126752623 /nfs/dbraw/zinc/75/26/23/1126752623.db2.gz FQLHSXOMSSTPMI-QGZVFWFLSA-N 0 1 298.430 3.867 20 0 CHADMN Cc1cccc2[nH]c(CN3CCC[C@@H](OCC4CC4)C3)cc21 ZINC000668010718 1126752625 /nfs/dbraw/zinc/75/26/25/1126752625.db2.gz FQLHSXOMSSTPMI-QGZVFWFLSA-N 0 1 298.430 3.867 20 0 CHADMN Cc1c(Br)cncc1CN1CC[C@@H]2CCC[C@H]21 ZINC000668013335 1126753321 /nfs/dbraw/zinc/75/33/21/1126753321.db2.gz VOXKEURYBMZFQX-SMDDNHRTSA-N 0 1 295.224 3.527 20 0 CHADMN CCOCc1ccc(CN[C@@H](C)c2cncs2)cc1 ZINC000151623489 1126755405 /nfs/dbraw/zinc/75/54/05/1126755405.db2.gz YPLMRWGTDQIOHS-LBPRGKRZSA-N 0 1 276.405 3.530 20 0 CHADMN CCCn1nccc1CN(CC)Cc1c[nH]c2ccccc12 ZINC000668035701 1126754419 /nfs/dbraw/zinc/75/44/19/1126754419.db2.gz UIIQHBPDKPYEGP-UHFFFAOYSA-N 0 1 296.418 3.797 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142660551 1126754584 /nfs/dbraw/zinc/75/45/84/1126754584.db2.gz XHTTVNIXUXENNT-NSHDSACASA-N 0 1 281.783 3.660 20 0 CHADMN COc1ccsc1CN1CCCc2sccc2C1 ZINC000678259456 1130379493 /nfs/dbraw/zinc/37/94/93/1130379493.db2.gz QSINCHFIIJPMIW-UHFFFAOYSA-N 0 1 279.430 3.767 20 0 CHADMN CC[C@@H](Cc1ccc(Cl)cc1)N[C@@H](C)c1nc(C)no1 ZINC000668050056 1126757439 /nfs/dbraw/zinc/75/74/39/1126757439.db2.gz FCVDRZKVGGDDTP-HZMBPMFUSA-N 0 1 293.798 3.703 20 0 CHADMN CC[C@H](Cc1ccc(Cl)cc1)N[C@@H](C)c1nc(C)no1 ZINC000668050057 1126757994 /nfs/dbraw/zinc/75/79/94/1126757994.db2.gz FCVDRZKVGGDDTP-IINYFYTJSA-N 0 1 293.798 3.703 20 0 CHADMN C[C@H]1CCSCCN1Cc1cccc(OC2CC2)c1F ZINC000668056239 1126760366 /nfs/dbraw/zinc/76/03/66/1126760366.db2.gz XGNWWPPPZGRXIF-LBPRGKRZSA-N 0 1 295.423 3.694 20 0 CHADMN C[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000429565272 1126761385 /nfs/dbraw/zinc/76/13/85/1126761385.db2.gz RINBJGLTXILMCG-CMPLNLGQSA-N 0 1 298.789 3.538 20 0 CHADMN CSCCCN[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000174111341 1126766841 /nfs/dbraw/zinc/76/68/41/1126766841.db2.gz WRVYQXCKHDMEMS-GFCCVEGCSA-N 0 1 276.405 3.745 20 0 CHADMN C[N@@H+](Cc1nc(-c2ccccc2)no1)[C@@H]1CCC(C)(C)C1 ZINC000483109452 1126768131 /nfs/dbraw/zinc/76/81/31/1126768131.db2.gz WOQPQRVPHAXEDM-CQSZACIVSA-N 0 1 285.391 3.747 20 0 CHADMN CN(Cc1nc(-c2ccccc2)no1)[C@@H]1CCC(C)(C)C1 ZINC000483109452 1126768132 /nfs/dbraw/zinc/76/81/32/1126768132.db2.gz WOQPQRVPHAXEDM-CQSZACIVSA-N 0 1 285.391 3.747 20 0 CHADMN C[N@@H+](Cc1nc(-c2ccccc2)no1)[C@H]1CCC(C)(C)C1 ZINC000483109451 1126768134 /nfs/dbraw/zinc/76/81/34/1126768134.db2.gz WOQPQRVPHAXEDM-AWEZNQCLSA-N 0 1 285.391 3.747 20 0 CHADMN CN(Cc1nc(-c2ccccc2)no1)[C@H]1CCC(C)(C)C1 ZINC000483109451 1126768135 /nfs/dbraw/zinc/76/81/35/1126768135.db2.gz WOQPQRVPHAXEDM-AWEZNQCLSA-N 0 1 285.391 3.747 20 0 CHADMN CCN(CC1CCC1)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000483123662 1126769152 /nfs/dbraw/zinc/76/91/52/1126769152.db2.gz SWYOTECOTQWDSA-CQSZACIVSA-N 0 1 299.418 3.843 20 0 CHADMN c1cc2cc(N[C@H]3CCCSCC3)ccc2cn1 ZINC000668229602 1126779078 /nfs/dbraw/zinc/77/90/78/1126779078.db2.gz NKTGPJIKLRYEOZ-AWEZNQCLSA-N 0 1 258.390 3.932 20 0 CHADMN Cc1ncsc1-c1ccc(CN2CC(C(F)F)C2)cc1 ZINC000668232547 1126780446 /nfs/dbraw/zinc/78/04/46/1126780446.db2.gz WGZHDZHBTWSTTA-UHFFFAOYSA-N 0 1 294.370 3.815 20 0 CHADMN CC(C)Cc1noc(C[N@H+]2CCC[C@H](C(C)(C)C)C2)n1 ZINC000483262148 1126776644 /nfs/dbraw/zinc/77/66/44/1126776644.db2.gz VTAXZTZTZRWZPO-ZDUSSCGKSA-N 0 1 279.428 3.526 20 0 CHADMN CC(C)Cc1noc(CN2CCC[C@H](C(C)(C)C)C2)n1 ZINC000483262148 1126776648 /nfs/dbraw/zinc/77/66/48/1126776648.db2.gz VTAXZTZTZRWZPO-ZDUSSCGKSA-N 0 1 279.428 3.526 20 0 CHADMN CCOC1CCC(Nc2ccc3cnccc3c2)CC1 ZINC000668229661 1126778324 /nfs/dbraw/zinc/77/83/24/1126778324.db2.gz PJPYHAGKVLZUPX-UHFFFAOYSA-N 0 1 270.376 3.994 20 0 CHADMN CC1=C(C)CN(Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000483357669 1126782268 /nfs/dbraw/zinc/78/22/68/1126782268.db2.gz NLGHCTQWOIUPSJ-UHFFFAOYSA-N 0 1 274.408 3.801 20 0 CHADMN CC1=C(C)CN([C@H](C)c2nc3ccccc3o2)CC1 ZINC000483339985 1126783135 /nfs/dbraw/zinc/78/31/35/1126783135.db2.gz JRDBPCYSFUGURR-CYBMUJFWSA-N 0 1 256.349 3.931 20 0 CHADMN CC[C@H]1C[C@@H](C[N@H+]2CCc3cc(Cl)ccc3C2)CCO1 ZINC000483663855 1126796248 /nfs/dbraw/zinc/79/62/48/1126796248.db2.gz SUNKKUNDFFOJSA-GUYCJALGSA-N 0 1 293.838 3.903 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1cccc(OC(F)F)c1 ZINC000177046111 1126797241 /nfs/dbraw/zinc/79/72/41/1126797241.db2.gz NJOZIRUQKQCVPN-LBPRGKRZSA-N 0 1 292.329 3.876 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CCN1Cc1nccn1C(F)F ZINC000177540218 1126802061 /nfs/dbraw/zinc/80/20/61/1126802061.db2.gz PIRKEHWICRCUDH-GXTWGEPZSA-N 0 1 291.345 3.656 20 0 CHADMN COc1cc([C@@H](C)NCc2cc3ccccc3s2)on1 ZINC000924789433 1126802214 /nfs/dbraw/zinc/80/22/14/1126802214.db2.gz TXXIQNKGMCYRIV-SNVBAGLBSA-N 0 1 288.372 3.749 20 0 CHADMN CCCN1CCC[C@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000483818245 1126802459 /nfs/dbraw/zinc/80/24/59/1126802459.db2.gz HVCJWRIMMOYTRB-ZDUSSCGKSA-N 0 1 291.782 3.937 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1nccn1C(F)F ZINC000177540208 1126802538 /nfs/dbraw/zinc/80/25/38/1126802538.db2.gz PIRKEHWICRCUDH-TZMCWYRMSA-N 0 1 291.345 3.656 20 0 CHADMN CC(C)[C@@H]1N(Cc2nccn2C(C)C)CC12CC=CC2 ZINC000668277442 1126804150 /nfs/dbraw/zinc/80/41/50/1126804150.db2.gz HVNSKDMPWRSAGC-INIZCTEOSA-N 0 1 273.424 3.641 20 0 CHADMN Cc1ncc(CN2C[C@@H](C)[C@@H]2c2ccccc2)s1 ZINC000177826861 1126805665 /nfs/dbraw/zinc/80/56/65/1126805665.db2.gz HPWPEFCWLCOLDQ-IAQYHMDHSA-N 0 1 258.390 3.645 20 0 CHADMN CC(C)(C)OCCN1CCc2cc(Cl)ccc2C1 ZINC000483984914 1126807327 /nfs/dbraw/zinc/80/73/27/1126807327.db2.gz KSDWDDIDQFVNRV-UHFFFAOYSA-N 0 1 267.800 3.513 20 0 CHADMN c1c(CN2CCC[C@H]2CC2CCCC2)nnn1C1CCC1 ZINC000668299209 1126807677 /nfs/dbraw/zinc/80/76/77/1126807677.db2.gz XTKNHUYBYUUCSD-KRWDZBQOSA-N 0 1 288.439 3.548 20 0 CHADMN CC[C@H](N[C@H](C)c1ccco1)c1ccc2c(c1)OCCO2 ZINC000178368448 1126812374 /nfs/dbraw/zinc/81/23/74/1126812374.db2.gz PSZAWQPSCYXNEY-OCCSQVGLSA-N 0 1 287.359 3.853 20 0 CHADMN Fc1ccc2nc(CN3C[C@@H]4CCCC[C@@H]43)sc2c1 ZINC000668299707 1126808716 /nfs/dbraw/zinc/80/87/16/1126808716.db2.gz PWCPPCKVFSDYMH-GWCFXTLKSA-N 0 1 276.380 3.810 20 0 CHADMN CC(C)Oc1ccc(CN[C@H](C)c2ccsc2)cn1 ZINC000178129567 1126809366 /nfs/dbraw/zinc/80/93/66/1126809366.db2.gz ZGQBJIDHHHGPDR-GFCCVEGCSA-N 0 1 276.405 3.781 20 0 CHADMN COCCC[C@@H](C)N[C@@H](c1nccs1)c1ccccc1 ZINC000178197573 1126810011 /nfs/dbraw/zinc/81/00/11/1126810011.db2.gz LBEVACPHVFSIGN-UKRRQHHQSA-N 0 1 290.432 3.637 20 0 CHADMN CCN(Cc1cnc(C)s1)[C@H](C)c1cccc(O)c1 ZINC000178374380 1126812196 /nfs/dbraw/zinc/81/21/96/1126812196.db2.gz AUFCIFWZKAMPFS-LLVKDONJSA-N 0 1 276.405 3.740 20 0 CHADMN Cc1ccc2nc(SC[C@@H]3CCC(C)(C)O3)[nH]c2c1 ZINC000484481071 1126821421 /nfs/dbraw/zinc/82/14/21/1126821421.db2.gz CCDJLCUFTOTAGQ-NSHDSACASA-N 0 1 276.405 3.921 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1ccc2ccccc2n1 ZINC000178723162 1126819200 /nfs/dbraw/zinc/81/92/00/1126819200.db2.gz PDIMBXIPAXFFET-OCCSQVGLSA-N 0 1 294.402 3.689 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cn(C)nc1C)c1ccc(F)cc1F ZINC000178719713 1126819457 /nfs/dbraw/zinc/81/94/57/1126819457.db2.gz LQJVKDQDCGVEPZ-MGPLVRAMSA-N 0 1 293.361 3.809 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccn1)c1ccccc1N(C)C ZINC000179397664 1126826579 /nfs/dbraw/zinc/82/65/79/1126826579.db2.gz JWVUJILIXXQFJT-KGLIPLIRSA-N 0 1 269.392 3.559 20 0 CHADMN COc1ccccc1/C=C/CN(C)Cc1scnc1C ZINC000179427766 1126827893 /nfs/dbraw/zinc/82/78/93/1126827893.db2.gz KMPUSMGDXUKSDY-SOFGYWHQSA-N 0 1 288.416 3.605 20 0 CHADMN CCS[C@H](C)c1noc([C@@H]2CC[C@@H]3CCCC[C@H]3N2)n1 ZINC000904098649 1126828754 /nfs/dbraw/zinc/82/87/54/1126828754.db2.gz YHXIQVAJPOBCRG-XQHKEYJVSA-N 0 1 295.452 3.867 20 0 CHADMN Cc1noc(C)c1CNC(C)(C)c1cccc(Cl)c1 ZINC000179603814 1126831251 /nfs/dbraw/zinc/83/12/51/1126831251.db2.gz GLNSMHXOZDCVMS-UHFFFAOYSA-N 0 1 278.783 3.970 20 0 CHADMN Cc1cnc(=S)n(CN2CCC[C@H](CC(C)C)C2)c1 ZINC000758352916 1130607809 /nfs/dbraw/zinc/60/78/09/1130607809.db2.gz YCTSSFZDNHVBAI-CQSZACIVSA-N 0 1 279.453 3.637 20 0 CHADMN CC(C)N1CCC[C@H](Oc2ccc(F)c(F)c2Cl)C1 ZINC001234233059 1130620983 /nfs/dbraw/zinc/62/09/83/1130620983.db2.gz DWYLHLLGMRHIKC-JTQLQIEISA-N 0 1 289.753 3.870 20 0 CHADMN CC[C@@H](NCc1ccc(OC)c(O)c1)c1ccccc1F ZINC000180389594 1126843114 /nfs/dbraw/zinc/84/31/14/1126843114.db2.gz IAGQQQFRLRBQON-OAHLLOKOSA-N 0 1 289.350 3.781 20 0 CHADMN CC[C@@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccccc1F ZINC000180738166 1126848399 /nfs/dbraw/zinc/84/83/99/1126848399.db2.gz JSHCCAOSRDKAGX-SQNIBIBYSA-N 0 1 285.362 3.525 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000904399761 1126851788 /nfs/dbraw/zinc/85/17/88/1126851788.db2.gz AXBUKEVDNCWRGV-SFHVURJKSA-N 0 1 289.419 3.541 20 0 CHADMN COCCN(Cc1ncc(C(C)(C)C)o1)[C@@H]1CC[C@@H](C)C1 ZINC000484874618 1126852918 /nfs/dbraw/zinc/85/29/18/1126852918.db2.gz AKRXJQRSXFTXJE-ZIAGYGMSSA-N 0 1 294.439 3.609 20 0 CHADMN CCCCCC[C@H](O)CN[C@@H](CC)c1nccs1 ZINC000759437833 1130658372 /nfs/dbraw/zinc/65/83/72/1130658372.db2.gz RIWVLBHDGWDPGX-STQMWFEESA-N 0 1 270.442 3.515 20 0 CHADMN Cc1ccc([C@H]2CCCC[N@H+]2CCCCC(=O)[O-])cc1 ZINC000181563110 1126857390 /nfs/dbraw/zinc/85/73/90/1126857390.db2.gz UWWYVYMQIFKPLJ-MRXNPFEDSA-N 0 1 275.392 3.777 20 0 CHADMN Cc1ccc(C[N@@H+](CCCCC(=O)[O-])C2CC2)cc1C ZINC000181568015 1126857661 /nfs/dbraw/zinc/85/76/61/1126857661.db2.gz NPSMNXBNFQUICY-UHFFFAOYSA-N 0 1 275.392 3.523 20 0 CHADMN CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000181550880 1126857670 /nfs/dbraw/zinc/85/76/70/1126857670.db2.gz DILSPRBDYIQMQO-IRXDYDNUSA-N 0 1 289.419 3.900 20 0 CHADMN COc1cc(C)cc(CN[C@H](C)c2ccc(Cl)nc2)c1 ZINC000181615542 1126858637 /nfs/dbraw/zinc/85/86/37/1126858637.db2.gz WEEXKONQKCLPBA-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1cncc(CN[C@H](C)c2ccccc2OC(F)F)c1 ZINC000181830490 1126861276 /nfs/dbraw/zinc/86/12/76/1126861276.db2.gz VPVPZGQCAQHZES-GFCCVEGCSA-N 0 1 292.329 3.842 20 0 CHADMN C[C@H](Cc1c(Cl)cccc1Cl)NCc1cocn1 ZINC000182068165 1126865693 /nfs/dbraw/zinc/86/56/93/1126865693.db2.gz GTPCZJRYANNVQB-SECBINFHSA-N 0 1 285.174 3.702 20 0 CHADMN C[C@@H](NC1(c2cccc(F)c2)CC1)c1cccnc1 ZINC000182215454 1126868609 /nfs/dbraw/zinc/86/86/09/1126868609.db2.gz ZWRSTBVHWOQWLV-GFCCVEGCSA-N 0 1 256.324 3.561 20 0 CHADMN C[C@H](NCc1n[nH]c(C2CC2)n1)c1ccc(C(C)(C)C)cc1 ZINC000182736925 1126876561 /nfs/dbraw/zinc/87/65/61/1126876561.db2.gz XRBTXFIUHRDLON-LBPRGKRZSA-N 0 1 298.434 3.830 20 0 CHADMN Cc1[nH]nc2ccc(-c3ccc([C@H]4C[C@@H](O)C4)cc3)cc12 ZINC000904833850 1126878647 /nfs/dbraw/zinc/87/86/47/1126878647.db2.gz SRHWXLBZEVROPC-IYBDPMFKSA-N 0 1 278.355 3.777 20 0 CHADMN Cc1ccsc1C[N@H+](C)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000568757211 1126882373 /nfs/dbraw/zinc/88/23/73/1126882373.db2.gz CUIRNWKOZIYLIF-LLVKDONJSA-N 0 1 293.388 3.849 20 0 CHADMN Clc1cscc1-c1cnc([C@@H]2CCCCN2)nc1 ZINC000904899638 1126883226 /nfs/dbraw/zinc/88/32/26/1126883226.db2.gz QOJGMPIVQSPMAY-LBPRGKRZSA-N 0 1 279.796 3.673 20 0 CHADMN Cc1ccc(CN(C)[C@@H](C)c2ccncc2)cc1F ZINC000183705311 1126890621 /nfs/dbraw/zinc/89/06/21/1126890621.db2.gz JMNUWUMZMVRMMR-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN CCC[C@@H]1C[C@@H](C(=O)Nc2cccc(Cl)c2O)CCO1 ZINC000183772049 1126892024 /nfs/dbraw/zinc/89/20/24/1126892024.db2.gz XAHUTJJYWQXWHM-WDEREUQCSA-N 0 1 297.782 3.579 20 0 CHADMN C[C@@H](CC1CC1)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000184657380 1126896310 /nfs/dbraw/zinc/89/63/10/1126896310.db2.gz AJHOPCOSPSCHCX-QWRGUYRKSA-N 0 1 289.354 3.715 20 0 CHADMN Cc1ccccc1CCC[N@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905370107 1126899835 /nfs/dbraw/zinc/89/98/35/1126899835.db2.gz QTMJPPAIAOETHR-GOSISDBHSA-N 0 1 297.398 3.685 20 0 CHADMN CCC[C@H](C)CN(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000485297255 1126902259 /nfs/dbraw/zinc/90/22/59/1126902259.db2.gz XNUNDUWRCXEKKW-AWEZNQCLSA-N 0 1 271.408 3.945 20 0 CHADMN CCC[C@H](NCc1cc(F)ccc1F)c1cccnc1 ZINC000185372608 1126900021 /nfs/dbraw/zinc/90/00/21/1126900021.db2.gz MIQJDTCRBDSJLM-INIZCTEOSA-N 0 1 276.330 3.991 20 0 CHADMN c1snnc1CNC1(Cc2ccccc2)CCCCC1 ZINC000185634826 1126901322 /nfs/dbraw/zinc/90/13/22/1126901322.db2.gz NWZAEDPZVVIUBI-UHFFFAOYSA-N 0 1 287.432 3.573 20 0 CHADMN CSc1ccc(CN2CC3(C2)CCCC3)s1 ZINC000485332625 1126904319 /nfs/dbraw/zinc/90/43/19/1126904319.db2.gz TWDGEOODBHQUQV-UHFFFAOYSA-N 0 1 253.436 3.846 20 0 CHADMN CN(C)c1cccc([C@H]2CCCN2Cc2ccnc(F)c2)c1 ZINC001118814623 1131238400 /nfs/dbraw/zinc/23/84/00/1131238400.db2.gz COINGHVNNZFNHO-QGZVFWFLSA-N 0 1 299.393 3.624 20 0 CHADMN C[C@@H](NC(=O)C=C1CCC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000087278807 1129179214 /nfs/dbraw/zinc/17/92/14/1129179214.db2.gz ADIRUIOJQIWVGA-SECBINFHSA-N 0 1 289.766 3.504 20 0 CHADMN COc1cccc([C@@H]2CCCN2Cc2ccnc(F)c2)c1 ZINC001118816760 1131238540 /nfs/dbraw/zinc/23/85/40/1131238540.db2.gz WAOAVRHXAJTPAG-INIZCTEOSA-N 0 1 286.350 3.566 20 0 CHADMN CC[C@@]1(CO)CCCN([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000187521803 1126910879 /nfs/dbraw/zinc/91/08/79/1126910879.db2.gz LRZBETHBONXEMN-BLLLJJGKSA-N 0 1 283.362 3.510 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1cc3cnccc3o1)CC2 ZINC000668479123 1126911180 /nfs/dbraw/zinc/91/11/80/1126911180.db2.gz MDMNNXQCKCJAJE-UHFFFAOYSA-N 0 1 278.355 3.695 20 0 CHADMN CC[C@](C)(NCc1cc(OC)cc(C)n1)c1ccccc1 ZINC000777435228 1126911451 /nfs/dbraw/zinc/91/14/51/1126911451.db2.gz FTZHONIZMKHXGS-SFHVURJKSA-N 0 1 284.403 3.814 20 0 CHADMN CC(C)c1cccc(CN[C@@H](c2nccn2C)C2CC2)c1 ZINC000485447646 1126914864 /nfs/dbraw/zinc/91/48/64/1126914864.db2.gz RUYJLCRMZIVTRZ-QGZVFWFLSA-N 0 1 283.419 3.784 20 0 CHADMN CCN(Cc1nccs1)[C@@H](C)Cc1ccsc1 ZINC000187785514 1126915203 /nfs/dbraw/zinc/91/52/03/1126915203.db2.gz HNTAEEPTGYXRHM-NSHDSACASA-N 0 1 266.435 3.658 20 0 CHADMN C[C@H]1CC[C@@]2(CCN(Cc3cccnc3Cl)C2)C1 ZINC000781928592 1130748236 /nfs/dbraw/zinc/74/82/36/1130748236.db2.gz NGDUERYRFCTOON-SWLSCSKDSA-N 0 1 264.800 3.747 20 0 CHADMN CC(C)NCc1cn([C@H](C)c2ccc3ccccc3c2)nn1 ZINC000905799750 1126916061 /nfs/dbraw/zinc/91/60/61/1126916061.db2.gz XFMGZBFWOWOCBD-CQSZACIVSA-N 0 1 294.402 3.539 20 0 CHADMN CCC[C@H](N[C@@H](CCO)c1ccco1)c1ccsc1 ZINC000187923478 1126917045 /nfs/dbraw/zinc/91/70/45/1126917045.db2.gz XKHPCQNXAOUXRR-KBPBESRZSA-N 0 1 279.405 3.896 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@@H](C)c2nccnc2C)c1 ZINC000187984992 1126917397 /nfs/dbraw/zinc/91/73/97/1126917397.db2.gz YFDLTFVVGVJHLK-ZFWWWQNUSA-N 0 1 269.392 3.814 20 0 CHADMN COc1cc(CN2CCCCC[C@H]2C)cc(F)c1F ZINC001235443862 1130745152 /nfs/dbraw/zinc/74/51/52/1130745152.db2.gz DOJMXCSBEFRXSH-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN Cc1cccc([C@@H](O)CN2CC(C)(C)[C@H]2c2ccncc2)c1 ZINC000905954376 1126923163 /nfs/dbraw/zinc/92/31/63/1126923163.db2.gz APSVGJXCDXGJIT-ZWKOTPCHSA-N 0 1 296.414 3.507 20 0 CHADMN CO[C@@H]1CCC[C@@H](Nc2nccc(C)c2C2CC2)C1 ZINC000668511845 1126924450 /nfs/dbraw/zinc/92/44/50/1126924450.db2.gz LLYNEKNNVMTNAC-ZIAGYGMSSA-N 0 1 260.381 3.637 20 0 CHADMN CC[C@H]1C[C@@H](Nc2nccc(C)c2C2CC2)CCO1 ZINC000668512351 1126925241 /nfs/dbraw/zinc/92/52/41/1126925241.db2.gz QOYPUKBBMHBXIT-KBPBESRZSA-N 0 1 260.381 3.637 20 0 CHADMN COCC1(C2CCC2)CN(Cc2ccc(Cl)cc2C)C1 ZINC000668514594 1126925021 /nfs/dbraw/zinc/92/50/21/1126925021.db2.gz KVJOWLGNLCHILB-UHFFFAOYSA-N 0 1 293.838 3.897 20 0 CHADMN CCCCN(CC)Cc1c(C)cncc1Br ZINC001235636079 1130759608 /nfs/dbraw/zinc/75/96/08/1130759608.db2.gz LKDQHRLPQYFPAS-UHFFFAOYSA-N 0 1 285.229 3.775 20 0 CHADMN c1cc2c(cc1-c1cnc([C@@H]3CCCCN3)nc1)CCCC2 ZINC000906152214 1126931975 /nfs/dbraw/zinc/93/19/75/1126931975.db2.gz GNEROCUCEQGZQG-SFHVURJKSA-N 0 1 293.414 3.837 20 0 CHADMN C[C@H](c1nc2ccccc2s1)N(C)CC[C@@H]1CCCO1 ZINC000189584013 1126932931 /nfs/dbraw/zinc/93/29/31/1126932931.db2.gz UHWRMVHSVQQKQB-OLZOCXBDSA-N 0 1 290.432 3.858 20 0 CHADMN Cc1[nH]nc2ccc(-c3cc4c(c([C@H](C)O)c3)OCC4)cc12 ZINC000906204108 1126937988 /nfs/dbraw/zinc/93/79/88/1126937988.db2.gz GRUNLJJWKCPVCK-NSHDSACASA-N 0 1 294.354 3.527 20 0 CHADMN Cc1noc(C(C)C)c1NC(=O)c1c(C)noc1C(F)F ZINC000906275212 1126943411 /nfs/dbraw/zinc/94/34/11/1126943411.db2.gz SVCJQBITTXMALC-UHFFFAOYSA-N 0 1 299.277 3.593 20 0 CHADMN COCc1cnc(CN2CC[C@@H](C3CCCCC3)C2)s1 ZINC000668536093 1126943994 /nfs/dbraw/zinc/94/39/94/1126943994.db2.gz NVZTYFYHVXPGHH-CQSZACIVSA-N 0 1 294.464 3.692 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CNCc1ccccn1 ZINC000190805390 1126944923 /nfs/dbraw/zinc/94/49/23/1126944923.db2.gz FKGZJRWJANHMEI-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN CCc1nc[nH]c1C(=O)N(C)c1ccc(C(C)(C)C)cc1 ZINC000906373665 1126949956 /nfs/dbraw/zinc/94/99/56/1126949956.db2.gz KZGGNSNURXFEHC-UHFFFAOYSA-N 0 1 285.391 3.546 20 0 CHADMN Fc1cccc(CCCN2CCO[C@@H](c3ccccc3)C2)c1 ZINC000485797031 1126953603 /nfs/dbraw/zinc/95/36/03/1126953603.db2.gz XGSLETLVRVUHJG-LJQANCHMSA-N 0 1 299.389 3.832 20 0 CHADMN Oc1cccc2c1CCC[C@@H]2NCc1ccc(F)cc1F ZINC000191660858 1126954238 /nfs/dbraw/zinc/95/42/38/1126954238.db2.gz NUAFIYKPEMIDCP-INIZCTEOSA-N 0 1 289.325 3.838 20 0 CHADMN Clc1cccc(CN2CCC(c3ccncc3)CC2)n1 ZINC000191675559 1126954602 /nfs/dbraw/zinc/95/46/02/1126954602.db2.gz CMZDGEYAIRYVSH-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN CC(C)c1noc(CN[C@@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000191885264 1126955933 /nfs/dbraw/zinc/95/59/33/1126955933.db2.gz WHKXWFFTQYWRRF-JKSUJKDBSA-N 0 1 299.418 3.694 20 0 CHADMN CC[C@@H]1CN(Cc2cocn2)CC[C@@H]1c1ccccc1 ZINC000191949450 1126957021 /nfs/dbraw/zinc/95/70/21/1126957021.db2.gz AIYCFPMOCSZAQP-PBHICJAKSA-N 0 1 270.376 3.690 20 0 CHADMN Fc1cccc([C@H]2C[C@H]2N2CCC(c3ccon3)CC2)c1 ZINC000906590972 1126959313 /nfs/dbraw/zinc/95/93/13/1126959313.db2.gz USJCGXJROZJYCF-NVXWUHKLSA-N 0 1 286.350 3.549 20 0 CHADMN COC[C@H](N[C@@H]1C[C@@H]1c1cccc(F)c1)c1ccc(C)o1 ZINC000906589902 1126959598 /nfs/dbraw/zinc/95/95/98/1126959598.db2.gz ZLNDWAWPULXUCK-OAGGEKHMSA-N 0 1 289.350 3.560 20 0 CHADMN Cc1ncc(CN(C)[C@H]2C[C@@H]2c2cccc(F)c2)s1 ZINC000906583276 1126960054 /nfs/dbraw/zinc/96/00/54/1126960054.db2.gz HMEMJZRAUUGHTA-CABCVRRESA-N 0 1 276.380 3.579 20 0 CHADMN COc1cc(CN[C@H]2CCCc3occc32)ccc1C ZINC000192762266 1126964241 /nfs/dbraw/zinc/96/42/41/1126964241.db2.gz QIINQNPPRWQUBG-HNNXBMFYSA-N 0 1 271.360 3.764 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2cccc(O)c2)cc1F ZINC000193087386 1126966380 /nfs/dbraw/zinc/96/63/80/1126966380.db2.gz ZLBCQNPSZYIYDK-GFCCVEGCSA-N 0 1 289.350 3.781 20 0 CHADMN CN1Cc2ccc(NCc3cc(Cl)cs3)cc2C1 ZINC000193161364 1126968013 /nfs/dbraw/zinc/96/80/13/1126968013.db2.gz VWJPGRJMSOJHIA-UHFFFAOYSA-N 0 1 278.808 3.959 20 0 CHADMN CCOC[C@H]1CCCN(Cc2sccc2Cl)C1 ZINC000194399511 1126973648 /nfs/dbraw/zinc/97/36/48/1126973648.db2.gz JDHXHQLTOQQWDI-NSHDSACASA-N 0 1 273.829 3.650 20 0 CHADMN COC[C@@H](N[C@@H](C)c1cccnc1)c1ccc(Cl)cc1 ZINC000193948243 1126971858 /nfs/dbraw/zinc/97/18/58/1126971858.db2.gz DCUORXJHNZCOIU-BLLLJJGKSA-N 0 1 290.794 3.773 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@@H](CCF)C2)s1 ZINC000668593184 1126973297 /nfs/dbraw/zinc/97/32/97/1126973297.db2.gz XVLUICMQHRTBKQ-LBPRGKRZSA-N 0 1 270.417 3.838 20 0 CHADMN C[C@@H]1SCCN(Cc2cnc(-c3ccco3)s2)[C@H]1C ZINC000194404235 1126974131 /nfs/dbraw/zinc/97/41/31/1126974131.db2.gz QASVUPZLGXWMIH-QWRGUYRKSA-N 0 1 294.445 3.729 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@H](C)c1cn(C)nc1C ZINC000194883287 1126977685 /nfs/dbraw/zinc/97/76/85/1126977685.db2.gz SWEOZTOSVOHSEV-NWDGAFQWSA-N 0 1 289.448 3.862 20 0 CHADMN CO[C@H](CNCc1csc(-c2ccsc2)n1)C(C)C ZINC000266627381 1126985817 /nfs/dbraw/zinc/98/58/17/1126985817.db2.gz NYJBFKVDZPQYGZ-CYBMUJFWSA-N 0 1 296.461 3.632 20 0 CHADMN CC[C@@H](NCCC(F)(F)F)c1ccc(F)cc1F ZINC000266666669 1126986537 /nfs/dbraw/zinc/98/65/37/1126986537.db2.gz YGEWVIQVPRZQEP-LLVKDONJSA-N 0 1 267.241 3.958 20 0 CHADMN Cc1noc(CN(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000267005333 1126991440 /nfs/dbraw/zinc/99/14/40/1126991440.db2.gz FQCJEXWEWXVAMD-QWRGUYRKSA-N 0 1 293.798 3.655 20 0 CHADMN CCOc1ccccc1CNCc1cc2ccc(F)cc2[nH]1 ZINC000486677352 1126995057 /nfs/dbraw/zinc/99/50/57/1126995057.db2.gz CZVOFIDSELFSGX-UHFFFAOYSA-N 0 1 298.361 3.996 20 0 CHADMN Cc1ccc([C@H](O)CN[C@H](C)c2ccccc2Cl)o1 ZINC000267285517 1126996344 /nfs/dbraw/zinc/99/63/44/1126996344.db2.gz WGNFNEXDVWVKRR-BXUZGUMPSA-N 0 1 279.767 3.626 20 0 CHADMN COc1cc(C)ccc1CNCc1cc2ccc(F)cc2[nH]1 ZINC000486700552 1126996664 /nfs/dbraw/zinc/99/66/64/1126996664.db2.gz ZDVUGSNMGQEUQZ-UHFFFAOYSA-N 0 1 298.361 3.914 20 0 CHADMN c1csc(-c2ncc(CN3CC[C@H]4C[C@H]4C3)s2)c1 ZINC000668677230 1127000865 /nfs/dbraw/zinc/00/08/65/1127000865.db2.gz ZVSFJMUAJFQDCR-QWRGUYRKSA-N 0 1 276.430 3.713 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1nc(CC(C)C)no1 ZINC000486793765 1127002509 /nfs/dbraw/zinc/00/25/09/1127002509.db2.gz KEGWRLQTFKXTQI-UONOGXRCSA-N 0 1 279.428 3.669 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1Cc1nc(CC(C)C)no1 ZINC000486793765 1127002512 /nfs/dbraw/zinc/00/25/12/1127002512.db2.gz KEGWRLQTFKXTQI-UONOGXRCSA-N 0 1 279.428 3.669 20 0 CHADMN C[C@@H](N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000267616028 1127003381 /nfs/dbraw/zinc/00/33/81/1127003381.db2.gz STCLASDXSKKDGZ-ZJUUUORDSA-N 0 1 291.782 3.839 20 0 CHADMN Fc1ccc(/C=C\CN2CCC(c3ccon3)CC2)cc1 ZINC000668714323 1127011496 /nfs/dbraw/zinc/01/14/96/1127011496.db2.gz RTJJIYOWOZAMTL-UPHRSURJSA-N 0 1 286.350 3.707 20 0 CHADMN CCc1noc(C)c1CN(C)[C@@H]1CCc2ccccc21 ZINC000268137558 1127012573 /nfs/dbraw/zinc/01/25/73/1127012573.db2.gz JNTTVBNYRHMGSB-QGZVFWFLSA-N 0 1 270.376 3.665 20 0 CHADMN CCCC1(CNC(=O)c2sccc2CN(C)C)CCC1 ZINC000268253593 1127014114 /nfs/dbraw/zinc/01/41/14/1127014114.db2.gz BHILPBVXDSZHHO-UHFFFAOYSA-N 0 1 294.464 3.510 20 0 CHADMN C[C@@H](NCCOc1ccc(F)cc1)c1cccnc1Cl ZINC000268780852 1127023653 /nfs/dbraw/zinc/02/36/53/1127023653.db2.gz AKAORUNCILNRQI-LLVKDONJSA-N 0 1 294.757 3.604 20 0 CHADMN CCc1nc(C)c([C@H](C)NCc2ccc(C)nc2)s1 ZINC000268772239 1127023863 /nfs/dbraw/zinc/02/38/63/1127023863.db2.gz MHGLJIOCFAREQD-NSHDSACASA-N 0 1 275.421 3.568 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2ccccn2)ccc1F ZINC000268704318 1127020688 /nfs/dbraw/zinc/02/06/88/1127020688.db2.gz HIPCGPUCOVCBQR-CHWSQXEVSA-N 0 1 258.340 3.941 20 0 CHADMN CC[C@H](C)[C@H](C)N[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000268760146 1127022655 /nfs/dbraw/zinc/02/26/55/1127022655.db2.gz KZKOXEPCPYHOJO-XEZPLFJOSA-N 0 1 289.398 3.673 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@@H](C)c1cn(C)nc1C ZINC000268866600 1127026534 /nfs/dbraw/zinc/02/65/34/1127026534.db2.gz COBHDOKQKZJMMX-STQMWFEESA-N 0 1 287.407 3.539 20 0 CHADMN Cc1ccn2cc(CN[C@H](C)c3cccs3)nc2c1 ZINC000268902746 1127028192 /nfs/dbraw/zinc/02/81/92/1127028192.db2.gz MNCFCYHTVIWSPZ-GFCCVEGCSA-N 0 1 271.389 3.555 20 0 CHADMN Cc1c(CN(Cc2ccc(Cl)cc2)C2CC2)cnn1C ZINC000268915422 1127028374 /nfs/dbraw/zinc/02/83/74/1127028374.db2.gz NVHSHIXYYPTVAP-UHFFFAOYSA-N 0 1 289.810 3.547 20 0 CHADMN COc1ccc([C@H](C)NCc2cn3ccc(C)cc3n2)cc1 ZINC000268950209 1127029615 /nfs/dbraw/zinc/02/96/15/1127029615.db2.gz XLKBIYUOKJZOJL-AWEZNQCLSA-N 0 1 295.386 3.502 20 0 CHADMN C[C@@H]1CCN(Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000268946739 1127029740 /nfs/dbraw/zinc/02/97/40/1127029740.db2.gz UQSOJLQWXQAXIL-SECBINFHSA-N 0 1 284.281 3.688 20 0 CHADMN Cc1ccc([C@H](O)CN[C@@H](C)c2ccc(F)cc2Cl)o1 ZINC000269072974 1127034387 /nfs/dbraw/zinc/03/43/87/1127034387.db2.gz XQSDCFRHAKUKSN-IINYFYTJSA-N 0 1 297.757 3.765 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1ccccc1Cl ZINC000269064748 1127034446 /nfs/dbraw/zinc/03/44/46/1127034446.db2.gz LBQIKTFXHOLFHG-JECHBYEQSA-N 0 1 287.790 3.649 20 0 CHADMN CC(C)c1nnc(CN[C@@H](C)[C@@H](C)c2ccccc2)s1 ZINC000269132283 1127035164 /nfs/dbraw/zinc/03/51/64/1127035164.db2.gz ZRYSZUBDIOTGHL-OLZOCXBDSA-N 0 1 289.448 3.943 20 0 CHADMN C[C@@H](NC[C@](C)(O)c1ccsc1)c1c(F)cccc1F ZINC000268988762 1127031787 /nfs/dbraw/zinc/03/17/87/1127031787.db2.gz LWQARDLWXRDWFE-BMIGLBTASA-N 0 1 297.370 3.585 20 0 CHADMN Cc1c(CN(Cc2ccoc2)C2CCCCC2)cnn1C ZINC000268994629 1127032137 /nfs/dbraw/zinc/03/21/37/1127032137.db2.gz HXNQAJRSCKTPTR-UHFFFAOYSA-N 0 1 287.407 3.656 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](C)c1ccc2c(c1)COC2 ZINC000269003928 1127032573 /nfs/dbraw/zinc/03/25/73/1127032573.db2.gz KHXSGGKRYFQTJY-AWEZNQCLSA-N 0 1 297.398 3.885 20 0 CHADMN Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000269615670 1127043777 /nfs/dbraw/zinc/04/37/77/1127043777.db2.gz LPMGWRCFDFCKHR-NWDGAFQWSA-N 0 1 297.383 3.675 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(C)Cc1nccs1 ZINC000269688960 1127044486 /nfs/dbraw/zinc/04/44/86/1127044486.db2.gz HOSYLQFYWLFVER-AWEZNQCLSA-N 0 1 260.406 3.596 20 0 CHADMN Fc1ccc(F)c2c1CC[C@@H]2NCc1cccs1 ZINC000269884613 1127047241 /nfs/dbraw/zinc/04/72/41/1127047241.db2.gz ZSOPXTZJVALFFH-ZDUSSCGKSA-N 0 1 265.328 3.803 20 0 CHADMN Cc1cc(NC(=O)c2cc(-c3ccccc3)n[nH]2)ccc1F ZINC000487922590 1127047898 /nfs/dbraw/zinc/04/78/98/1127047898.db2.gz XHPQLNZVZSXSFZ-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cn3ccsc3n1)CCC2 ZINC000269940379 1127048605 /nfs/dbraw/zinc/04/86/05/1127048605.db2.gz GFCPITSDXYNSLY-MRXNPFEDSA-N 0 1 297.427 3.871 20 0 CHADMN C[C@@H](NCC(=O)NCCC(C)(C)C)c1cccc(Cl)c1 ZINC000487942298 1127049541 /nfs/dbraw/zinc/04/95/41/1127049541.db2.gz GQTCPPCMWKKGGC-GFCCVEGCSA-N 0 1 296.842 3.543 20 0 CHADMN CC/C=C\CCN1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000488032936 1127053000 /nfs/dbraw/zinc/05/30/00/1127053000.db2.gz PGPDCOQTCUOUEQ-PLNGDYQASA-N 0 1 295.430 3.895 20 0 CHADMN CCCCN(CC)C(=O)CN[C@H](C)c1cccc(Cl)c1 ZINC000488012761 1127051891 /nfs/dbraw/zinc/05/18/91/1127051891.db2.gz UWCDCJTZMMBRSF-CYBMUJFWSA-N 0 1 296.842 3.639 20 0 CHADMN COc1cc(CN[C@@H](C)c2cc(O)cc(F)c2)ccc1C ZINC000924829882 1127054805 /nfs/dbraw/zinc/05/48/05/1127054805.db2.gz UISIJFPFKVNVMW-LBPRGKRZSA-N 0 1 289.350 3.699 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccccc1)c1ccc(Cl)nc1 ZINC000270476909 1127056059 /nfs/dbraw/zinc/05/60/59/1127056059.db2.gz KAVKDCKWNIKFAJ-IUODEOHRSA-N 0 1 290.794 3.509 20 0 CHADMN CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)c1cccnc1 ZINC000270751513 1127061511 /nfs/dbraw/zinc/06/15/11/1127061511.db2.gz JWUQLLWXQOUKNM-CQSZACIVSA-N 0 1 270.376 3.673 20 0 CHADMN c1cc2cccc(CN3CCO[C@H](c4ccccc4)C3)c2[nH]1 ZINC000271045466 1127065756 /nfs/dbraw/zinc/06/57/56/1127065756.db2.gz PUPCIYJCSHHLBX-SFHVURJKSA-N 0 1 292.382 3.741 20 0 CHADMN CC(C)N(Cc1ccco1)Cc1ccc(N2CCCC2)nc1 ZINC000271031883 1127066336 /nfs/dbraw/zinc/06/63/36/1127066336.db2.gz CTWQWRFDSPSFMO-UHFFFAOYSA-N 0 1 299.418 3.685 20 0 CHADMN Cc1ccc(O[C@H](C)CN[C@@H](C)c2cscn2)cc1 ZINC000271125053 1127069259 /nfs/dbraw/zinc/06/92/59/1127069259.db2.gz KIIJSHGVAGQEMY-OLZOCXBDSA-N 0 1 276.405 3.570 20 0 CHADMN CC[C@@H]1CN(Cc2cc3ccc(F)cc3[nH]2)CCS1 ZINC000488296149 1127070232 /nfs/dbraw/zinc/07/02/32/1127070232.db2.gz MVIMZMWUMJXIGX-CQSZACIVSA-N 0 1 278.396 3.634 20 0 CHADMN Cc1cc(N[C@@H]2CCO[C@@H](C)C2)c2cc(F)ccc2n1 ZINC000271216691 1127073498 /nfs/dbraw/zinc/07/34/98/1127073498.db2.gz BHCFRPSJYWZWEI-WCQYABFASA-N 0 1 274.339 3.662 20 0 CHADMN COc1ccccc1/C=C\CN1CCC(F)(F)[C@@H](C)C1 ZINC000570132849 1127073632 /nfs/dbraw/zinc/07/36/32/1127073632.db2.gz DTKNBBYRLFKMIK-VGVVRCBHSA-N 0 1 281.346 3.686 20 0 CHADMN c1cc(-c2ccccc2)oc1CN1CCCc2n[nH]cc2C1 ZINC000668845413 1127074284 /nfs/dbraw/zinc/07/42/84/1127074284.db2.gz TXFSDAOMTXBPSO-UHFFFAOYSA-N 0 1 293.370 3.618 20 0 CHADMN CCCCS[C@H](C)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000271258419 1127074358 /nfs/dbraw/zinc/07/43/58/1127074358.db2.gz JCGGOLITRHFRLP-MRVPVSSYSA-N 0 1 291.367 3.516 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)CC1CCCCC1 ZINC000271258406 1127074418 /nfs/dbraw/zinc/07/44/18/1127074418.db2.gz JCDFJYQTELHJLI-UHFFFAOYSA-N 0 1 271.311 3.565 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H](C)CC1CCCC1 ZINC000271301218 1127075134 /nfs/dbraw/zinc/07/51/34/1127075134.db2.gz SKJVAOZDXFECPE-MRVPVSSYSA-N 0 1 285.338 3.811 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(C)ccc1C ZINC000271307755 1127075429 /nfs/dbraw/zinc/07/54/29/1127075429.db2.gz UTLXJNDUPNDZRP-UHFFFAOYSA-N 0 1 279.290 3.525 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000271406909 1127078603 /nfs/dbraw/zinc/07/86/03/1127078603.db2.gz AANKMUORWACEDM-STQMWFEESA-N 0 1 272.396 3.648 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000271415265 1127080102 /nfs/dbraw/zinc/08/01/02/1127080102.db2.gz ASALBETUNNOIJM-BDJLRTHQSA-N 0 1 293.769 3.863 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(Cl)s1 ZINC000271425994 1127080844 /nfs/dbraw/zinc/08/08/44/1127080844.db2.gz AGEFDRVQQGQNKL-SCZZXKLOSA-N 0 1 281.812 3.853 20 0 CHADMN CC[C@H]1CN(C/C=C\c2ccc(F)c(F)c2)CCS1 ZINC000570248337 1127082318 /nfs/dbraw/zinc/08/23/18/1127082318.db2.gz OYNCFZPKXYXGBY-SCOBNMCVSA-N 0 1 283.387 3.805 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](C)c2ccc(SC)cc2)n[nH]1 ZINC000271451594 1127082465 /nfs/dbraw/zinc/08/24/65/1127082465.db2.gz GEUNZMVDUZLYPP-QWRGUYRKSA-N 0 1 290.436 3.501 20 0 CHADMN C[C@@H](NCc1ccccc1N(C)C)c1cc(F)cc(F)c1 ZINC000271472982 1127084858 /nfs/dbraw/zinc/08/48/58/1127084858.db2.gz JCWMCXCSQMGDBI-GFCCVEGCSA-N 0 1 290.357 3.882 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000271486265 1127085885 /nfs/dbraw/zinc/08/58/85/1127085885.db2.gz KGVFGKFSKRTDGW-CHWSQXEVSA-N 0 1 272.396 3.648 20 0 CHADMN CCOc1ccc([C@H](C)N[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000271505463 1127087787 /nfs/dbraw/zinc/08/77/87/1127087787.db2.gz MTBRFNZBNSFWMQ-BLLLJJGKSA-N 0 1 285.391 3.537 20 0 CHADMN COC[C@@H](N[C@H]1CCc2c1cccc2F)c1ccccc1 ZINC000271522375 1127088499 /nfs/dbraw/zinc/08/84/99/1127088499.db2.gz VACCMTSRUJSOPD-ZWKOTPCHSA-N 0 1 285.362 3.790 20 0 CHADMN CCCN(CC)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000271522235 1127088725 /nfs/dbraw/zinc/08/87/25/1127088725.db2.gz WACZNTBZORKVIC-UHFFFAOYSA-N 0 1 296.321 3.764 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1ccccc1OC(F)F ZINC000271538755 1127089450 /nfs/dbraw/zinc/08/94/50/1127089450.db2.gz YMJVQGDMIPGKKU-LBPRGKRZSA-N 0 1 292.329 3.842 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(Cl)cc1 ZINC000271539229 1127089910 /nfs/dbraw/zinc/08/99/10/1127089910.db2.gz SMIOCSKVMYDXRP-QMTHXVAHSA-N 0 1 275.783 3.791 20 0 CHADMN CC[C@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1OC(F)F ZINC000271564942 1127091766 /nfs/dbraw/zinc/09/17/66/1127091766.db2.gz UXMGRNNMWHCHTO-GWCFXTLKSA-N 0 1 295.333 3.813 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(F)c(Cl)c1 ZINC000271554762 1127091979 /nfs/dbraw/zinc/09/19/79/1127091979.db2.gz VNOCZRGUDMDICP-LKFCYVNXSA-N 0 1 293.773 3.930 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@H](C)c1cnccc1C ZINC000271561597 1127092418 /nfs/dbraw/zinc/09/24/18/1127092418.db2.gz OKFXMTYLFKUBTE-ZIAGYGMSSA-N 0 1 270.376 3.810 20 0 CHADMN c1[nH]nc2c1CCC[C@H]2N[C@@H]1CCSc2ccccc21 ZINC000271578558 1127093383 /nfs/dbraw/zinc/09/33/83/1127093383.db2.gz ZYZAMVBKFYTFRX-ZIAGYGMSSA-N 0 1 285.416 3.614 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1cn2c(n1)CCCC2 ZINC000924844621 1127094869 /nfs/dbraw/zinc/09/48/69/1127094869.db2.gz VZPKHYXTKDKTQY-WMLDXEAASA-N 0 1 295.430 3.866 20 0 CHADMN CC(C)(O)C(C)(C)NCc1csc(-c2cccs2)n1 ZINC000271638570 1127095757 /nfs/dbraw/zinc/09/57/57/1127095757.db2.gz PFPMPCGHPAZTQO-UHFFFAOYSA-N 0 1 296.461 3.511 20 0 CHADMN COc1ncc(CN[C@H](C)c2ccc(F)cc2)cc1Cl ZINC000271668065 1127096087 /nfs/dbraw/zinc/09/60/87/1127096087.db2.gz HMSCWLYCZDACDU-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN C[C@@H](c1noc(-c2ccc(Cl)cc2O)n1)C1CC1 ZINC000273853097 1127099507 /nfs/dbraw/zinc/09/95/07/1127099507.db2.gz CJNIVNGJSNOBAB-SSDOTTSWSA-N 0 1 264.712 3.609 20 0 CHADMN CCC(CC)[C@H](N[C@@H](C)c1cnn(C)n1)c1cccs1 ZINC000924847339 1127105863 /nfs/dbraw/zinc/10/58/63/1127105863.db2.gz CKAZKFOWEXXJNX-NHYWBVRUSA-N 0 1 292.452 3.705 20 0 CHADMN OC[C@@H](NCc1ccc(C(F)F)cc1)c1ccc(F)cc1 ZINC000274150213 1127110048 /nfs/dbraw/zinc/11/00/48/1127110048.db2.gz KWNXFWPORZZRQU-OAHLLOKOSA-N 0 1 295.304 3.587 20 0 CHADMN CC(C)c1ncc(CN(C)[C@@H]2C=CCCCCC2)cn1 ZINC000339161836 1127117006 /nfs/dbraw/zinc/11/70/06/1127117006.db2.gz WVNKEQBMFPQSMN-MRXNPFEDSA-N 0 1 273.424 3.921 20 0 CHADMN CCN(Cc1cnn(C)c1)Cc1cccc(C(C)C)c1 ZINC000659867403 1127119321 /nfs/dbraw/zinc/11/93/21/1127119321.db2.gz KGTOEIXMADONAO-UHFFFAOYSA-N 0 1 271.408 3.566 20 0 CHADMN Cc1cnc(CN2C[C@@H](C)CC[C@@H]2c2ccccc2)n1C ZINC000348634402 1127123571 /nfs/dbraw/zinc/12/35/71/1127123571.db2.gz LTRSKIKGKZJDOK-WMLDXEAASA-N 0 1 283.419 3.702 20 0 CHADMN CC(C)c1cc(C(=O)N(C)[C@@H](C)C2CCCCC2)n[nH]1 ZINC000283068706 1127120981 /nfs/dbraw/zinc/12/09/81/1127120981.db2.gz CTCFNRSNXHGTPX-LBPRGKRZSA-N 0 1 277.412 3.574 20 0 CHADMN COc1cc([C@H](C)N[C@H](C)c2ccccc2OC)ccn1 ZINC000348681905 1127124176 /nfs/dbraw/zinc/12/41/76/1127124176.db2.gz MDHMNPJMVLOVHC-QWHCGFSZSA-N 0 1 286.375 3.511 20 0 CHADMN COc1cc([C@@H](C)N[C@H](C)c2ccsc2)ccn1 ZINC000348680064 1127124663 /nfs/dbraw/zinc/12/46/63/1127124663.db2.gz JKGRKFFSMGRRCR-GHMZBOCLSA-N 0 1 262.378 3.564 20 0 CHADMN C[C@H](N[C@@H](c1ccc(F)cc1)C(C)(C)C)c1cn(C)cn1 ZINC000924857497 1127132488 /nfs/dbraw/zinc/13/24/88/1127132488.db2.gz SDCFUXMOWPHHFQ-LRDDRELGSA-N 0 1 289.398 3.997 20 0 CHADMN CCN(Cc1cc2ccc(F)cc2[nH]1)Cc1ccncc1 ZINC000348925661 1127134333 /nfs/dbraw/zinc/13/43/33/1127134333.db2.gz XJLBYOHKEQVMDY-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN CCN(C/C=C\c1ccc(F)cc1F)Cc1ccncc1 ZINC000348890213 1127133787 /nfs/dbraw/zinc/13/37/87/1127133787.db2.gz DKXBGOBKHBOYBR-ARJAWSKDSA-N 0 1 288.341 3.895 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCC[C@H]1c1cccnc1 ZINC000348934861 1127135925 /nfs/dbraw/zinc/13/59/25/1127135925.db2.gz ODLMHZFHJFHLTB-KRWDZBQOSA-N 0 1 284.407 3.505 20 0 CHADMN O=c1[n-]c(Cl)c(C[NH+]2CCCCCCCC2)s1 ZINC001237170448 1131063339 /nfs/dbraw/zinc/06/33/39/1131063339.db2.gz XMPPYYFQBFHWLT-UHFFFAOYSA-N 0 1 274.817 3.658 20 0 CHADMN CN(C)Cc1cnc(/C=C/c2nc3ccccc3o2)s1 ZINC000349106303 1127140071 /nfs/dbraw/zinc/14/00/71/1127140071.db2.gz HWSJWASJWGSNTN-BQYQJAHWSA-N 0 1 285.372 3.516 20 0 CHADMN COc1cccc(CN2CCC(C)(F)CC2)c1Cl ZINC001237185014 1131065634 /nfs/dbraw/zinc/06/56/34/1131065634.db2.gz HZHBVWKGQIFYHH-UHFFFAOYSA-N 0 1 271.763 3.673 20 0 CHADMN Cc1ccsc1[C@@H](C)N[C@H](CO)c1ccsc1 ZINC000349358191 1127148120 /nfs/dbraw/zinc/14/81/20/1127148120.db2.gz VQHYDFSOBSUTRK-ZYHUDNBSSA-N 0 1 267.419 3.502 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N[C@H](CO)c2ccsc2)c1 ZINC000349354800 1127148319 /nfs/dbraw/zinc/14/83/19/1127148319.db2.gz MUZWUAVAAGBVQM-CZUORRHYSA-N 0 1 275.417 3.749 20 0 CHADMN Cc1cc([C@@H](C)NCCCCN(C)c2ccccc2)no1 ZINC000283693782 1127152092 /nfs/dbraw/zinc/15/20/92/1127152092.db2.gz ANLIRCAUXVXTGK-OAHLLOKOSA-N 0 1 287.407 3.550 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCCN(c3ccc(C)cc3)C2)no1 ZINC000283691646 1127152438 /nfs/dbraw/zinc/15/24/38/1127152438.db2.gz AHYFTHSUWFRNLK-CVEARBPZSA-N 0 1 299.418 3.611 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@H](c3ccccc3C)C2)s1 ZINC000283711468 1127153189 /nfs/dbraw/zinc/15/31/89/1127153189.db2.gz ZMAUIOBEEQTNRP-OCCSQVGLSA-N 0 1 287.432 3.705 20 0 CHADMN CCc1ccc(CNCc2cccc(OC(C)C)c2)o1 ZINC000760659451 1127153277 /nfs/dbraw/zinc/15/32/77/1127153277.db2.gz YUDQPKRNVUPZQI-UHFFFAOYSA-N 0 1 273.376 3.919 20 0 CHADMN CCN(Cc1cccs1)Cc1sccc1OC ZINC000349543672 1127153302 /nfs/dbraw/zinc/15/33/02/1127153302.db2.gz RCEUQKBUOFOTQI-UHFFFAOYSA-N 0 1 267.419 3.840 20 0 CHADMN Cc1ccsc1CN(C)Cc1cnc2c(C)cccn12 ZINC000349544248 1127154582 /nfs/dbraw/zinc/15/45/82/1127154582.db2.gz VLLBJIRICHSMGW-UHFFFAOYSA-N 0 1 285.416 3.645 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(N3CCCC3)nc2)c1 ZINC000349700280 1127158668 /nfs/dbraw/zinc/15/86/68/1127158668.db2.gz PPZFQOLQSLVBBQ-UHFFFAOYSA-N 0 1 295.430 3.622 20 0 CHADMN C[S@@](=O)c1ccc(CN2CCC[C@H]2c2ccccc2)cc1 ZINC000349750109 1127159302 /nfs/dbraw/zinc/15/93/02/1127159302.db2.gz UKPOEGGAJNLHPN-GHTZIAJQSA-N 0 1 299.439 3.761 20 0 CHADMN Cc1ccc(C(=O)/C=C/c2ccc(Cl)nc2)c(O)c1 ZINC000156703919 1127165808 /nfs/dbraw/zinc/16/58/08/1127165808.db2.gz DLQOUZCIHJDTQT-ZZXKWVIFSA-N 0 1 273.719 3.645 20 0 CHADMN COc1ccsc1CN1CCC(C(F)(F)F)CC1 ZINC000349829572 1127163636 /nfs/dbraw/zinc/16/36/36/1127163636.db2.gz CPFZVGZAEYZUCS-UHFFFAOYSA-N 0 1 279.327 3.531 20 0 CHADMN CC(C)c1cccc(CN2CCCC(=O)[C@@H](C)C2)c1 ZINC001237456400 1131099728 /nfs/dbraw/zinc/09/97/28/1131099728.db2.gz IPOBQLWRZDCJJP-AWEZNQCLSA-N 0 1 259.393 3.611 20 0 CHADMN Cc1cc(N2CCO[C@@H](C(C)C)C2)c2cc(F)ccc2n1 ZINC000349871367 1127165654 /nfs/dbraw/zinc/16/56/54/1127165654.db2.gz XQHFDOGWKXNZRM-QGZVFWFLSA-N 0 1 288.366 3.544 20 0 CHADMN C[C@@H]1CCC[C@H](CCN[C@@H](CO)c2c(F)cccc2F)C1 ZINC001168381161 1127167635 /nfs/dbraw/zinc/16/76/35/1127167635.db2.gz BEUVEWGNEVDUEM-IOASZLSFSA-N 0 1 297.389 3.804 20 0 CHADMN CCN(CC1CC1)[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000283983007 1127167680 /nfs/dbraw/zinc/16/76/80/1127167680.db2.gz FXGDJWRUWNZVKY-LBPRGKRZSA-N 0 1 271.364 3.530 20 0 CHADMN CCN(CC1CC1)[C@H](C)c1noc(-c2ccccc2)n1 ZINC000283983001 1127167825 /nfs/dbraw/zinc/16/78/25/1127167825.db2.gz FXGDJWRUWNZVKY-GFCCVEGCSA-N 0 1 271.364 3.530 20 0 CHADMN Fc1ccc([C@@H]2CCCN2Cc2ccccn2)cc1 ZINC000349962749 1127169138 /nfs/dbraw/zinc/16/91/38/1127169138.db2.gz HIZJNLIGEPRBND-INIZCTEOSA-N 0 1 256.324 3.558 20 0 CHADMN CCCCOc1ccc([C@H](C)NCc2c[nH]nc2C)cc1 ZINC000284068361 1127171868 /nfs/dbraw/zinc/17/18/68/1127171868.db2.gz ARLFRGFUHCVEME-ZDUSSCGKSA-N 0 1 287.407 3.748 20 0 CHADMN COCC[C@H](NCc1ccc(F)c(C)c1)c1ccc(C)o1 ZINC000350291588 1127176202 /nfs/dbraw/zinc/17/62/02/1127176202.db2.gz VLPXUEGODJDLGQ-INIZCTEOSA-N 0 1 291.366 3.903 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+]1Cc1cc(Cl)nc(Cl)c1[O-] ZINC001237523920 1131111188 /nfs/dbraw/zinc/11/11/88/1131111188.db2.gz WOBUUFWACYPALQ-SNVBAGLBSA-N 0 1 289.206 3.714 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]1Cc1cc(Cl)nc(Cl)c1[O-] ZINC001237523920 1131111192 /nfs/dbraw/zinc/11/11/92/1131111192.db2.gz WOBUUFWACYPALQ-SNVBAGLBSA-N 0 1 289.206 3.714 20 0 CHADMN CC(=O)[C@@H]1CCCN1Cc1cccc2c(F)cccc12 ZINC001237527103 1131111299 /nfs/dbraw/zinc/11/12/99/1131111299.db2.gz VWZVZYBUTDBVEF-KRWDZBQOSA-N 0 1 271.335 3.532 20 0 CHADMN C[C@@H](NCc1cccc(COC(C)(C)C)c1)c1cn[nH]c1 ZINC000284252742 1127179178 /nfs/dbraw/zinc/17/91/78/1127179178.db2.gz VSNCOHYFRZGGHP-CYBMUJFWSA-N 0 1 287.407 3.576 20 0 CHADMN CO[C@@H](CNC(C)(C)c1ncc(C)s1)c1ccccc1 ZINC000284305669 1127180025 /nfs/dbraw/zinc/18/00/25/1127180025.db2.gz GWZMCOOLUVZJBV-AWEZNQCLSA-N 0 1 290.432 3.664 20 0 CHADMN COc1ncc([C@H](C)N[C@H](C)c2cccnc2)cc1Cl ZINC000284358172 1127181028 /nfs/dbraw/zinc/18/10/28/1127181028.db2.gz NREBOYKXKXIHTB-MNOVXSKESA-N 0 1 291.782 3.550 20 0 CHADMN Cc1ncc(CNC2(c3ccc(F)cc3)CCC2)s1 ZINC000588179077 1127181158 /nfs/dbraw/zinc/18/11/58/1127181158.db2.gz ATAZAJRQKMNOAX-UHFFFAOYSA-N 0 1 276.380 3.760 20 0 CHADMN COc1ncc([C@@H](C)N[C@H](C)c2cccnc2)cc1Cl ZINC000284358171 1127181409 /nfs/dbraw/zinc/18/14/09/1127181409.db2.gz NREBOYKXKXIHTB-GHMZBOCLSA-N 0 1 291.782 3.550 20 0 CHADMN CC/C=C/CCNC1(c2noc(C)n2)CCCCCC1 ZINC000466803436 1127187424 /nfs/dbraw/zinc/18/74/24/1127187424.db2.gz LYQCRSOKGTUATA-SNAWJCMRSA-N 0 1 277.412 3.873 20 0 CHADMN COc1ccccc1[C@H](N[C@@H]1CCC1(C)C)c1ccccn1 ZINC000284511132 1127186892 /nfs/dbraw/zinc/18/68/92/1127186892.db2.gz WCKSWERMEOYZON-MSOLQXFVSA-N 0 1 296.414 3.958 20 0 CHADMN CCCc1csc(CNc2nccn2CC(C)C)n1 ZINC000351550289 1127193049 /nfs/dbraw/zinc/19/30/49/1127193049.db2.gz JJEQOGUIBLGVKI-UHFFFAOYSA-N 0 1 278.425 3.560 20 0 CHADMN CC(C)Cn1ccnc1NCc1cc(Cl)ccc1F ZINC000351569981 1127194240 /nfs/dbraw/zinc/19/42/40/1127194240.db2.gz TZKXVCOVAUJCKL-UHFFFAOYSA-N 0 1 281.762 3.944 20 0 CHADMN Cc1occc1CN(C)CCSc1ccccc1F ZINC000351571388 1127194357 /nfs/dbraw/zinc/19/43/57/1127194357.db2.gz XMLAVTMEXKSZEG-UHFFFAOYSA-N 0 1 279.380 3.951 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N(CC(C)C)C(C)C)o1 ZINC000588787241 1127194696 /nfs/dbraw/zinc/19/46/96/1127194696.db2.gz MYPYXQHCRPCFEM-UHFFFAOYSA-N 0 1 294.439 3.628 20 0 CHADMN C[C@@H]1CC[C@@H](N(C)Cc2cc(C(C)(C)C)on2)C1 ZINC000572325666 1127198605 /nfs/dbraw/zinc/19/86/05/1127198605.db2.gz LWMFPFXVKLXJQF-DGCLKSJQSA-N 0 1 250.386 3.593 20 0 CHADMN CCN(Cc1c[nH]c2ccccc12)Cc1scnc1C ZINC000351631493 1127200484 /nfs/dbraw/zinc/20/04/84/1127200484.db2.gz UPBZUXIULRMMQG-UHFFFAOYSA-N 0 1 285.416 3.955 20 0 CHADMN COc1cc(C)c(CN(C)Cc2ccoc2C)cc1OC ZINC000351644662 1127201442 /nfs/dbraw/zinc/20/14/42/1127201442.db2.gz RNSWGOIDMHWTMI-UHFFFAOYSA-N 0 1 289.375 3.546 20 0 CHADMN COC[C@@H]1CCC[N@H+]1Cc1cc(C)c(Cl)cc1Cl ZINC001237701454 1131130015 /nfs/dbraw/zinc/13/00/15/1131130015.db2.gz JLQRRUHXUSRHGE-LBPRGKRZSA-N 0 1 288.218 3.913 20 0 CHADMN COC[C@@H]1CCCN1Cc1cc(C)c(Cl)cc1Cl ZINC001237701454 1131130017 /nfs/dbraw/zinc/13/00/17/1131130017.db2.gz JLQRRUHXUSRHGE-LBPRGKRZSA-N 0 1 288.218 3.913 20 0 CHADMN Clc1ccc(CN2CCC3(CCOCC3)CC2)s1 ZINC000284852941 1127209421 /nfs/dbraw/zinc/20/94/21/1127209421.db2.gz UDIGVSUIFOSOJY-UHFFFAOYSA-N 0 1 285.840 3.794 20 0 CHADMN COc1ccc2nc(SCc3scnc3C)[nH]c2c1 ZINC000351691545 1127204157 /nfs/dbraw/zinc/20/41/57/1127204157.db2.gz FCQUCLBCRIWHIU-UHFFFAOYSA-N 0 1 291.401 3.629 20 0 CHADMN Cc1n[nH]c(C)c1CNCc1ccc(Cl)c(Cl)c1 ZINC000588911404 1127206122 /nfs/dbraw/zinc/20/61/22/1127206122.db2.gz GPFVITJWSROLAY-UHFFFAOYSA-N 0 1 284.190 3.623 20 0 CHADMN C[C@H](c1nc(-c2ccccc2)no1)N1CCC(C)(C)CC1 ZINC000588938949 1127207258 /nfs/dbraw/zinc/20/72/58/1127207258.db2.gz MREGUDWYZSBWFG-CYBMUJFWSA-N 0 1 285.391 3.920 20 0 CHADMN C[C@@H](c1nc(-c2ccccc2)no1)N1CCC(C)(C)CC1 ZINC000588938952 1127207390 /nfs/dbraw/zinc/20/73/90/1127207390.db2.gz MREGUDWYZSBWFG-ZDUSSCGKSA-N 0 1 285.391 3.920 20 0 CHADMN CCO[C@@H]1C[C@@H](N(C)Cc2conc2CC)C1(CC)CC ZINC000351760529 1127208349 /nfs/dbraw/zinc/20/83/49/1127208349.db2.gz UXQBCLSXPDYQLJ-HZPDHXFCSA-N 0 1 294.439 3.653 20 0 CHADMN CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1ccncc1Cl ZINC000351879362 1127212950 /nfs/dbraw/zinc/21/29/50/1127212950.db2.gz JRKRVQAHOSHAGQ-LSDHHAIUSA-N 0 1 296.842 3.761 20 0 CHADMN COC(=O)c1cccc(Cl)c1CN(C(C)C)C1CCC1 ZINC000351875177 1127212987 /nfs/dbraw/zinc/21/29/87/1127212987.db2.gz LHOXLEMZDVIHHI-UHFFFAOYSA-N 0 1 295.810 3.890 20 0 CHADMN CCN(CC)[C@@H](c1nc(-c2ccco2)no1)c1ccccc1 ZINC000285021546 1127215688 /nfs/dbraw/zinc/21/56/88/1127215688.db2.gz HQIYAQYBOKKSHQ-OAHLLOKOSA-N 0 1 297.358 3.761 20 0 CHADMN Cc1nccc(NCCc2ccc3ccccc3n2)c1Cl ZINC000352076956 1127217558 /nfs/dbraw/zinc/21/75/58/1127217558.db2.gz MPNGABIPVNCYAO-UHFFFAOYSA-N 0 1 297.789 3.668 20 0 CHADMN Cc1noc(C(C)(C)N[C@@H]2CC[C@@](C)(c3ccccc3)C2)n1 ZINC000285242130 1127221038 /nfs/dbraw/zinc/22/10/38/1127221038.db2.gz SNIZDBRXSKDIDB-CRAIPNDOSA-N 0 1 299.418 3.713 20 0 CHADMN FCCCCN1CCc2ccc(Br)cc2C1 ZINC000352360255 1127226674 /nfs/dbraw/zinc/22/66/74/1127226674.db2.gz DZBUHNVCHISRKC-UHFFFAOYSA-N 0 1 286.188 3.557 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc3ccccc3c2)[nH]n1 ZINC000589636432 1127231314 /nfs/dbraw/zinc/23/13/14/1127231314.db2.gz PRXFGBBLOAJNER-ZDUSSCGKSA-N 0 1 265.360 3.722 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNCc2[nH]nc3ccccc32)o1 ZINC000589643293 1127232213 /nfs/dbraw/zinc/23/22/13/1127232213.db2.gz SJONPMMSLQERHI-BXUZGUMPSA-N 0 1 281.359 3.569 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(C(C)(C)C)cc2)[nH]n1 ZINC000589641007 1127232259 /nfs/dbraw/zinc/23/22/59/1127232259.db2.gz FLDSRHBVMHMSPU-CYBMUJFWSA-N 0 1 271.408 3.866 20 0 CHADMN Cc1ccc(F)cc1CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000352432661 1127232288 /nfs/dbraw/zinc/23/22/88/1127232288.db2.gz RHEIYNYAGSUPRV-DLBZAZTESA-N 0 1 289.394 3.668 20 0 CHADMN C[C@@H](NCc1ccc(Cl)nc1)c1cc(F)cc(F)c1 ZINC000165497481 1127234052 /nfs/dbraw/zinc/23/40/52/1127234052.db2.gz KSTYHHISBASSAR-SECBINFHSA-N 0 1 282.721 3.864 20 0 CHADMN CCOC1CC2(C1)CCN([C@H](C)c1ccc(F)cc1F)C2 ZINC000285541114 1127236692 /nfs/dbraw/zinc/23/66/92/1127236692.db2.gz QPOXZTUCOGUXIA-RFSCMCKOSA-N 0 1 295.373 3.917 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)c2cc(C)ccn2)c1 ZINC000285578605 1127238472 /nfs/dbraw/zinc/23/84/72/1127238472.db2.gz IKCHSBQGMKSATK-KBPBESRZSA-N 0 1 297.402 3.760 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1cc(C)cc(C)c1 ZINC000285595458 1127238946 /nfs/dbraw/zinc/23/89/46/1127238946.db2.gz WFDDHHCVHDHAIF-UHFFFAOYSA-N 0 1 272.392 3.933 20 0 CHADMN CSCc1ccc(CN[C@H](C)c2cncs2)cc1 ZINC000285716212 1127241522 /nfs/dbraw/zinc/24/15/22/1127241522.db2.gz PWUYHKGFDHTHCM-LLVKDONJSA-N 0 1 278.446 3.857 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1ccc(SC)s1 ZINC000352892307 1127248544 /nfs/dbraw/zinc/24/85/44/1127248544.db2.gz KTRNRVYSJZBNBZ-SNVBAGLBSA-N 0 1 294.445 3.724 20 0 CHADMN Cc1[nH]ncc1CNC(=O)c1coc2ccc(C(C)C)cc12 ZINC000285905479 1127247096 /nfs/dbraw/zinc/24/70/96/1127247096.db2.gz HUGTXSPIPHNUKV-UHFFFAOYSA-N 0 1 297.358 3.518 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cc(F)c([O-])c(Cl)c2)[C@@H]1C ZINC001237990845 1131158509 /nfs/dbraw/zinc/15/85/09/1131158509.db2.gz ZKVBAUBUJMRKJI-NXEZZACHSA-N 0 1 271.763 3.805 20 0 CHADMN CC[C@@H]1CCCN1CC(=O)Nc1ccccc1C(C)C ZINC000590061920 1127247720 /nfs/dbraw/zinc/24/77/20/1127247720.db2.gz KPDIXRZUWBMNIW-CQSZACIVSA-N 0 1 274.408 3.623 20 0 CHADMN CC(C)(C)c1csc(CN2CCC[C@@]2(C)CCCO)n1 ZINC000352884107 1127248001 /nfs/dbraw/zinc/24/80/01/1127248001.db2.gz KXIORQMGOKDVCA-INIZCTEOSA-N 0 1 296.480 3.568 20 0 CHADMN CSc1cccc(F)c1CNCc1sc(C)nc1C ZINC000352917757 1127250376 /nfs/dbraw/zinc/25/03/76/1127250376.db2.gz YLBNXIXMKWPTKO-UHFFFAOYSA-N 0 1 296.436 3.911 20 0 CHADMN CN(Cc1cncc(Cl)c1Cl)CC1CC(F)(F)C1 ZINC001238011372 1131161372 /nfs/dbraw/zinc/16/13/72/1131161372.db2.gz LEESDASRWIEHAD-UHFFFAOYSA-N 0 1 295.160 3.866 20 0 CHADMN CSCc1cnc(CN2CCCC[C@H](C)C2)s1 ZINC000352946637 1127253172 /nfs/dbraw/zinc/25/31/72/1127253172.db2.gz MXYLZERDKRNKGS-NSHDSACASA-N 0 1 270.467 3.628 20 0 CHADMN Cc1ccnc([C@@H](C)NCc2ccc(F)c(F)c2)c1 ZINC000286019644 1127253607 /nfs/dbraw/zinc/25/36/07/1127253607.db2.gz JQHVUPMWOPJBHQ-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN Cc1cc(Cl)ccc1CN[C@H](c1nccn1C)C1CC1 ZINC000353032296 1127257662 /nfs/dbraw/zinc/25/76/62/1127257662.db2.gz GCGPGLIOWLJBFS-HNNXBMFYSA-N 0 1 289.810 3.623 20 0 CHADMN CCCc1cccc(CN[C@@H](c2nccn2C)C2CC2)c1 ZINC000353039919 1127258860 /nfs/dbraw/zinc/25/88/60/1127258860.db2.gz RYJZDTJGUFDYNO-QGZVFWFLSA-N 0 1 283.419 3.614 20 0 CHADMN C[C@@H]1CCCN(Cc2ncccc2C(F)(F)F)[C@H]1C ZINC000352959676 1127254669 /nfs/dbraw/zinc/25/46/69/1127254669.db2.gz AHBITGCILRXIRB-MNOVXSKESA-N 0 1 272.314 3.721 20 0 CHADMN CCOc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C2)ccc1C ZINC001238071964 1131167528 /nfs/dbraw/zinc/16/75/28/1131167528.db2.gz PCEDCGCPADDTQY-ZDUSSCGKSA-N 0 1 287.325 3.778 20 0 CHADMN CCOc1cc(CN2CC[C@H](C(F)(F)F)C2)ccc1C ZINC001238071964 1131167534 /nfs/dbraw/zinc/16/75/34/1131167534.db2.gz PCEDCGCPADDTQY-ZDUSSCGKSA-N 0 1 287.325 3.778 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@@H]2CCCOc3ccccc32)c1 ZINC000286356211 1127266502 /nfs/dbraw/zinc/26/65/02/1127266502.db2.gz ZAHMAHSDGAEIRP-GDBMZVCRSA-N 0 1 282.387 3.955 20 0 CHADMN COc1cccc(CN(Cc2ccccc2C)C2CC2)n1 ZINC000353292899 1127266721 /nfs/dbraw/zinc/26/67/21/1127266721.db2.gz CXCXZXJMTOKUSI-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN CCc1ccc([C@@H]2CCCN([C@H](C)c3nnc(C)o3)C2)cc1 ZINC000286462952 1127267869 /nfs/dbraw/zinc/26/78/69/1127267869.db2.gz NEIVYCBWTSNJJI-CXAGYDPISA-N 0 1 299.418 3.881 20 0 CHADMN COC(=O)c1cccc(C[N@H+]2CCC[C@H]2C2CC2)c1Cl ZINC000590690500 1127268289 /nfs/dbraw/zinc/26/82/89/1127268289.db2.gz KKZPQELYVAMGHJ-AWEZNQCLSA-N 0 1 293.794 3.501 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccsc1)c1nccc2ccccc21 ZINC000353592677 1127271277 /nfs/dbraw/zinc/27/12/77/1127271277.db2.gz BCKFRIVNJMFQII-LRDDRELGSA-N 0 1 298.411 3.681 20 0 CHADMN Fc1ccc(CN2CCC[C@H]2C2CC2)cc1Br ZINC000590787860 1127273359 /nfs/dbraw/zinc/27/33/59/1127273359.db2.gz LJTWLMCXUGWDBB-AWEZNQCLSA-N 0 1 298.199 3.963 20 0 CHADMN CC[C@H](N[C@@H](C)c1cc(OC)ccn1)c1ccccc1 ZINC000924859060 1127273755 /nfs/dbraw/zinc/27/37/55/1127273755.db2.gz SSDMVOBKBKZBFU-BBRMVZONSA-N 0 1 270.376 3.892 20 0 CHADMN COc1cc([C@H](C)N[C@H](C)c2cccs2)c(F)cn1 ZINC000286903943 1127275723 /nfs/dbraw/zinc/27/57/23/1127275723.db2.gz JSOUKJWRIGJORF-VHSXEESVSA-N 0 1 280.368 3.703 20 0 CHADMN CSCCCCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000286954673 1127276604 /nfs/dbraw/zinc/27/66/04/1127276604.db2.gz QDDNAZFOPGKYQO-UHFFFAOYSA-N 0 1 291.775 3.657 20 0 CHADMN C[C@H]1CC[C@@H](C(=O)Nc2cc(F)cc(Cl)c2O)C1 ZINC000353894102 1127276625 /nfs/dbraw/zinc/27/66/25/1127276625.db2.gz MEWJLSHBOVOJHN-JGVFFNPUSA-N 0 1 271.719 3.559 20 0 CHADMN CCSc1ccc([C@@H](C)NCc2cc(C)n[nH]2)cc1 ZINC000590881780 1127276917 /nfs/dbraw/zinc/27/69/17/1127276917.db2.gz LHKPXYSUILJNPU-GFCCVEGCSA-N 0 1 275.421 3.681 20 0 CHADMN CC[C@@H](N[C@@H](c1nccn1C)C1CC1)c1ccc(OC)cc1 ZINC000353918132 1127278657 /nfs/dbraw/zinc/27/86/57/1127278657.db2.gz IQOAIXBBRRFSNJ-IAGOWNOFSA-N 0 1 299.418 3.621 20 0 CHADMN Cc1nc(-c2ccc(CNCc3cnccc3C)o2)cs1 ZINC000353944064 1127281163 /nfs/dbraw/zinc/28/11/63/1127281163.db2.gz JKDCCPYUCMDHCA-UHFFFAOYSA-N 0 1 299.399 3.705 20 0 CHADMN Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000353971108 1127282773 /nfs/dbraw/zinc/28/27/73/1127282773.db2.gz IEAYEECLLVGFAD-GTNSWQLSSA-N 0 1 287.382 3.749 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccc3n[nH]cc3c2)o1 ZINC000353976205 1127282944 /nfs/dbraw/zinc/28/29/44/1127282944.db2.gz WZOJUMLVAVVUCQ-NEPJUHHUSA-N 0 1 269.348 3.876 20 0 CHADMN OC[C@@]1(F)CCCN(C(c2ccccc2)c2ccccc2)C1 ZINC000287034046 1127283305 /nfs/dbraw/zinc/28/33/05/1127283305.db2.gz SMZOUCDGBUHJSL-LJQANCHMSA-N 0 1 299.389 3.572 20 0 CHADMN OCC[C@@H](NCc1ccccc1F)c1ccc(Cl)cc1 ZINC000287077262 1127286107 /nfs/dbraw/zinc/28/61/07/1127286107.db2.gz WDJAJHFZDIRSCY-MRXNPFEDSA-N 0 1 293.769 3.692 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1nc(-c2ccc3c(c2)CCC3)no1 ZINC000354031627 1127286526 /nfs/dbraw/zinc/28/65/26/1127286526.db2.gz MCPFRIKBCOTQNM-BETUJISGSA-N 0 1 297.402 3.598 20 0 CHADMN CC(C)COc1ccc(CN(C)Cc2ccc[nH]2)cc1 ZINC000354035327 1127287235 /nfs/dbraw/zinc/28/72/35/1127287235.db2.gz XLTKGJIVYBDNRT-UHFFFAOYSA-N 0 1 272.392 3.682 20 0 CHADMN Cc1ccc(CN2C[C@H](C)[C@H]2c2ccccc2)nc1 ZINC000354035606 1127287730 /nfs/dbraw/zinc/28/77/30/1127287730.db2.gz ZRAVOSKSJHSRHY-YOEHRIQHSA-N 0 1 252.361 3.583 20 0 CHADMN CCC(C)(C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000287082402 1127287801 /nfs/dbraw/zinc/28/78/01/1127287801.db2.gz WDKYZLUXEODGSK-UHFFFAOYSA-N 0 1 259.708 3.559 20 0 CHADMN C[C@@H]1CCCN(Cc2c(F)ccnc2Cl)C[C@@H]1C ZINC001238224450 1131184719 /nfs/dbraw/zinc/18/47/19/1131184719.db2.gz KMJRBAUIUFITQF-MNOVXSKESA-N 0 1 270.779 3.742 20 0 CHADMN Cc1csc(CN2CC[C@](C)(c3ccccc3)C2)n1 ZINC000354111766 1127293723 /nfs/dbraw/zinc/29/37/23/1127293723.db2.gz UNDIOXGBWTULDD-INIZCTEOSA-N 0 1 272.417 3.615 20 0 CHADMN Cc1nccc(N(C)CCOCc2ccccc2)c1Cl ZINC000354166644 1127297396 /nfs/dbraw/zinc/29/73/96/1127297396.db2.gz XKTIIKPZZRJRPA-UHFFFAOYSA-N 0 1 290.794 3.696 20 0 CHADMN CC[C@H](C)N(C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000591376386 1127299748 /nfs/dbraw/zinc/29/97/48/1127299748.db2.gz KSZGOOHJBSTDRG-JTQLQIEISA-N 0 1 279.771 3.620 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249811253 1127304697 /nfs/dbraw/zinc/30/46/97/1127304697.db2.gz YXBZMFZZVJOHPX-NWDGAFQWSA-N 0 1 291.345 3.629 20 0 CHADMN Cc1cc(CN2CC3CC(C3)C2)c(C)cc1Br ZINC001238285047 1131188151 /nfs/dbraw/zinc/18/81/51/1131188151.db2.gz LCRGRWJHVZYTPR-UHFFFAOYSA-N 0 1 294.236 3.908 20 0 CHADMN C[N@@H+](Cc1c(Cl)cccc1C(=O)[O-])C1CCCCC1 ZINC000573330866 1127306797 /nfs/dbraw/zinc/30/67/97/1127306797.db2.gz CMLYZSRCTCEZJT-UHFFFAOYSA-N 0 1 281.783 3.803 20 0 CHADMN CCn1nccc1CN1Cc2cc(C)ccc2CC1(C)C ZINC000354423421 1127308110 /nfs/dbraw/zinc/30/81/10/1127308110.db2.gz HXFCBWMTRPFCQN-UHFFFAOYSA-N 0 1 283.419 3.548 20 0 CHADMN COc1cc([C@H](C)N[C@H]2CCc3ccccc32)c(F)cn1 ZINC000287537421 1127309853 /nfs/dbraw/zinc/30/98/53/1127309853.db2.gz DWPOJTVIVPZVPN-ZBEGNZNMSA-N 0 1 286.350 3.567 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(C)c(Cl)cn2)C1 ZINC001238422658 1131197041 /nfs/dbraw/zinc/19/70/41/1131197041.db2.gz PCEFLQUZYUMUMJ-LBPRGKRZSA-N 0 1 252.789 3.665 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C2(C)CCCCC2)c1 ZINC000573501974 1127316138 /nfs/dbraw/zinc/31/61/38/1127316138.db2.gz UHAWQNVUEHPKAX-UHFFFAOYSA-N 0 1 289.375 3.894 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1ccc(F)cn1 ZINC000354976246 1127316315 /nfs/dbraw/zinc/31/63/15/1127316315.db2.gz SUQPIXLLBHMUBS-WPRPVWTQSA-N 0 1 264.266 3.602 20 0 CHADMN CCOCCN(C)Cc1ccc(-c2ccccc2F)o1 ZINC000354801288 1127314435 /nfs/dbraw/zinc/31/44/35/1127314435.db2.gz YIWGEKSLBBESQC-UHFFFAOYSA-N 0 1 277.339 3.554 20 0 CHADMN CC[C@@H](NCc1[nH]nc2ccccc21)c1nc(C)cs1 ZINC000591726422 1127315303 /nfs/dbraw/zinc/31/53/03/1127315303.db2.gz PVFQNEUUGDJPJV-GFCCVEGCSA-N 0 1 286.404 3.569 20 0 CHADMN C[C@@H](N(C)Cc1cc(F)c(F)cc1F)C1(C)CC1 ZINC000355112023 1127318189 /nfs/dbraw/zinc/31/81/89/1127318189.db2.gz RDIHICGYNZSREC-SECBINFHSA-N 0 1 257.299 3.724 20 0 CHADMN COc1c(CN2CCC[C@@](C)(F)CC2)ccc(F)c1F ZINC001238466792 1131206173 /nfs/dbraw/zinc/20/61/73/1131206173.db2.gz LQWBZZZJQOKQLK-OAHLLOKOSA-N 0 1 287.325 3.688 20 0 CHADMN CC(C)C[N@H+]1Cc2cccc(NC(=O)C[C@H]3C[C@H]3C)c2C1 ZINC000355143929 1127320489 /nfs/dbraw/zinc/32/04/89/1127320489.db2.gz OQPIERKKUHLENG-UKRRQHHQSA-N 0 1 286.419 3.643 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)C[C@H]3C[C@H]3C)c2C1 ZINC000355143929 1127320494 /nfs/dbraw/zinc/32/04/94/1127320494.db2.gz OQPIERKKUHLENG-UKRRQHHQSA-N 0 1 286.419 3.643 20 0 CHADMN COC[C@@H]1CCN1Cc1ccc(F)c(-c2cccs2)c1 ZINC000573670616 1127323555 /nfs/dbraw/zinc/32/35/55/1127323555.db2.gz ABYTVHRTQIZCFS-ZDUSSCGKSA-N 0 1 291.391 3.775 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCC[C@@H](n2ccnc2)C1 ZINC000591869431 1127324525 /nfs/dbraw/zinc/32/45/25/1127324525.db2.gz VUESOYCOFKBIGL-TZMCWYRMSA-N 0 1 291.345 3.559 20 0 CHADMN CN(Cc1nc2ccccc2n1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000355208290 1127324735 /nfs/dbraw/zinc/32/47/35/1127324735.db2.gz OZQOZZZEOYEXPP-MAUKXSAKSA-N 0 1 291.398 3.561 20 0 CHADMN CCCC1CCC(N(C)Cc2cc(C(C)=O)no2)CC1 ZINC000573860090 1127331334 /nfs/dbraw/zinc/33/13/34/1127331334.db2.gz MAXVVTQIJRTVLD-UHFFFAOYSA-N 0 1 278.396 3.668 20 0 CHADMN Cc1cc(CNc2cc(C)cc(C(F)(F)F)c2)n[nH]1 ZINC001118443133 1131227646 /nfs/dbraw/zinc/22/76/46/1131227646.db2.gz LFZVAUYBSXTVLL-UHFFFAOYSA-N 0 1 269.270 3.657 20 0 CHADMN CSc1cc(C)cc(CN2C[C@H](F)C[C@H]2C)c1 ZINC001238675235 1131229738 /nfs/dbraw/zinc/22/97/38/1131229738.db2.gz KRGDARRECJPAPR-DGCLKSJQSA-N 0 1 253.386 3.649 20 0 CHADMN CSc1ccc(Cl)cc1CN1CC[C@](C)(O)[C@@H](C)C1 ZINC001238673198 1131230078 /nfs/dbraw/zinc/23/00/78/1131230078.db2.gz VIZABGUSNVLSMI-NHYWBVRUSA-N 0 1 299.867 3.655 20 0 CHADMN C[C@]1(F)CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000355362536 1127335561 /nfs/dbraw/zinc/33/55/61/1127335561.db2.gz HIYTUZBOWPSJMT-HNNXBMFYSA-N 0 1 293.773 3.664 20 0 CHADMN C[C@H](CF)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000288546002 1127346512 /nfs/dbraw/zinc/34/65/12/1127346512.db2.gz XFXDWFDMNPEGHZ-SSDOTTSWSA-N 0 1 269.669 3.806 20 0 CHADMN Cc1ccccc1Oc1ccccc1CNCc1cn[nH]c1 ZINC000592457167 1127350985 /nfs/dbraw/zinc/35/09/85/1127350985.db2.gz SIMXBMXYWBJAJX-UHFFFAOYSA-N 0 1 293.370 3.800 20 0 CHADMN COc1cccc(CN[C@H]2CCc3ccc(C)cc32)c1OC ZINC000592462082 1127351989 /nfs/dbraw/zinc/35/19/89/1127351989.db2.gz CVAIEEQDALVWBS-KRWDZBQOSA-N 0 1 297.398 3.789 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1nn(C)c3ccccc13)CC2 ZINC000592461347 1127352085 /nfs/dbraw/zinc/35/20/85/1127352085.db2.gz HBXCIROCGYMULS-QGZVFWFLSA-N 0 1 291.398 3.659 20 0 CHADMN Cc1occc1CN1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592524645 1127353642 /nfs/dbraw/zinc/35/36/42/1127353642.db2.gz GISMGHCSSOCVQK-UHFFFAOYSA-N 0 1 293.407 3.532 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)CC3(C)CC3)cc2[nH]1 ZINC000355620451 1127354934 /nfs/dbraw/zinc/35/49/34/1127354934.db2.gz KWGFJOQUCYDGCE-UHFFFAOYSA-N 0 1 285.391 3.989 20 0 CHADMN COC[C@H](NCCC(F)(F)F)c1cccc(Cl)c1 ZINC000288764044 1127361183 /nfs/dbraw/zinc/36/11/83/1127361183.db2.gz JBZPOVPPWWGBFW-NSHDSACASA-N 0 1 281.705 3.570 20 0 CHADMN COc1cncc(CN[C@@H](C)c2ccc(SC)cc2)c1 ZINC000288780009 1127362255 /nfs/dbraw/zinc/36/22/55/1127362255.db2.gz BQMPFDFSPCAHPY-LBPRGKRZSA-N 0 1 288.416 3.663 20 0 CHADMN CC1(C)CC[C@H]1NCc1nnc(-c2cccc(Cl)c2)o1 ZINC000574050067 1127371002 /nfs/dbraw/zinc/37/10/02/1127371002.db2.gz ACYSVHWVSDQFAD-GFCCVEGCSA-N 0 1 291.782 3.668 20 0 CHADMN CCC(=O)CCCN(C)[C@H](C)c1cc(F)ccc1F ZINC000289245074 1127378714 /nfs/dbraw/zinc/37/87/14/1127378714.db2.gz BACZKYPZVYKKTD-LLVKDONJSA-N 0 1 269.335 3.717 20 0 CHADMN Cc1ccc(CN2CC=C(c3cccc(C)c3)CC2)nc1 ZINC000357042106 1127386281 /nfs/dbraw/zinc/38/62/81/1127386281.db2.gz RGBGLRFOYMZFGW-UHFFFAOYSA-N 0 1 278.399 3.988 20 0 CHADMN CSCC1(CC(=O)Nc2cccc(Cl)c2O)CC1 ZINC000593554968 1127389857 /nfs/dbraw/zinc/38/98/57/1127389857.db2.gz BBUYKOFBIMSJLU-UHFFFAOYSA-N 0 1 285.796 3.517 20 0 CHADMN CSc1ccccc1CN(C)[C@H](CO)c1ccccc1 ZINC000358044440 1127398287 /nfs/dbraw/zinc/39/82/87/1127398287.db2.gz MPFJZMJYQBTIOR-MRXNPFEDSA-N 0 1 287.428 3.574 20 0 CHADMN CC(C)Sc1ccc(CN(C)Cc2cnn(C)c2)cc1 ZINC000358042965 1127398312 /nfs/dbraw/zinc/39/83/12/1127398312.db2.gz DNAPXAIEHBIQAU-UHFFFAOYSA-N 0 1 289.448 3.553 20 0 CHADMN CC(=O)Nc1ccc(CN[C@@H]2CSc3ccccc32)cc1 ZINC000358061706 1127400439 /nfs/dbraw/zinc/40/04/39/1127400439.db2.gz MRESUFNYLMFTGV-MRXNPFEDSA-N 0 1 298.411 3.582 20 0 CHADMN CSc1ccccc1CN(C)Cc1ccoc1C ZINC000358069880 1127400555 /nfs/dbraw/zinc/40/05/55/1127400555.db2.gz TVKSMCVBDPBMQK-UHFFFAOYSA-N 0 1 261.390 3.942 20 0 CHADMN OC[C@@H](N[C@H]1CCCc2sccc21)c1cccc(F)c1 ZINC000358168096 1127405777 /nfs/dbraw/zinc/40/57/77/1127405777.db2.gz ZLAGOVJDZZEXFR-LSDHHAIUSA-N 0 1 291.391 3.588 20 0 CHADMN Cc1cccc2c1CC[C@H]2NCc1cn2c(cccc2C)n1 ZINC000358166979 1127405828 /nfs/dbraw/zinc/40/58/28/1127405828.db2.gz XJCQSOSZECWHAF-GOSISDBHSA-N 0 1 291.398 3.728 20 0 CHADMN Cc1ccsc1[C@@H](C)N[C@@H](CO)c1cccc(F)c1 ZINC000358153571 1127405065 /nfs/dbraw/zinc/40/50/65/1127405065.db2.gz JCIFPPMQAPPVRD-RISCZKNCSA-N 0 1 279.380 3.580 20 0 CHADMN COc1ccc(CNCc2ccc(SC)o2)c(C)c1 ZINC000641738003 1127410295 /nfs/dbraw/zinc/41/02/95/1127410295.db2.gz BFAKEMAHESGSQV-UHFFFAOYSA-N 0 1 277.389 3.608 20 0 CHADMN Cc1cc(CN[C@H](CC(C)C)c2cccs2)ncn1 ZINC000358356803 1127417061 /nfs/dbraw/zinc/41/70/61/1127417061.db2.gz PTDJKMIOPPRREA-CQSZACIVSA-N 0 1 275.421 3.724 20 0 CHADMN CCSc1ccc([C@@H](C)NCc2cc(C)ncn2)cc1 ZINC000358351866 1127417085 /nfs/dbraw/zinc/41/70/85/1127417085.db2.gz LVJZUBIHDAFPAR-CYBMUJFWSA-N 0 1 287.432 3.748 20 0 CHADMN CC(C)Oc1cccc(CN2CC[C@@H](C(F)(F)F)C2)c1 ZINC000761058159 1127414637 /nfs/dbraw/zinc/41/46/37/1127414637.db2.gz TVBJXVHOAALSFS-CYBMUJFWSA-N 0 1 287.325 3.858 20 0 CHADMN CCn1cc([C@H](C)N[C@@H](C)c2ccc(F)c(C)c2)cn1 ZINC000358389143 1127419151 /nfs/dbraw/zinc/41/91/51/1127419151.db2.gz CQYUKQRQLZDBIC-STQMWFEESA-N 0 1 275.371 3.762 20 0 CHADMN COCC1(C)CCN(c2ccnc3cc(F)ccc32)CC1 ZINC000358469536 1127423207 /nfs/dbraw/zinc/42/32/07/1127423207.db2.gz KYCIBKFFSVOWMG-UHFFFAOYSA-N 0 1 288.366 3.627 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)N[C@H]1CCc2cccnc21 ZINC000226806747 1127426198 /nfs/dbraw/zinc/42/61/98/1127426198.db2.gz VBBDYZHWCPDBEB-CJNGLKHVSA-N 0 1 282.387 3.737 20 0 CHADMN CCCc1nc(CN2CCCCC[C@@H]2C)cs1 ZINC000358580673 1127427876 /nfs/dbraw/zinc/42/78/76/1127427876.db2.gz ORPGYSKWZGYRHI-LBPRGKRZSA-N 0 1 252.427 3.860 20 0 CHADMN C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCN(C)[C@H](C)C1 ZINC000761081479 1127434520 /nfs/dbraw/zinc/43/45/20/1127434520.db2.gz XBZVVGVZGJEORL-MNOVXSKESA-N 0 1 287.234 3.690 20 0 CHADMN Cc1nnc(CN(CCC(C)C)CCC(C)C)s1 ZINC000358622101 1127429294 /nfs/dbraw/zinc/42/92/94/1127429294.db2.gz BEWFTUOSAGCWIQ-UHFFFAOYSA-N 0 1 269.458 3.741 20 0 CHADMN Cc1nc2ccc(CSCc3ccco3)cc2[nH]1 ZINC000358855786 1127436175 /nfs/dbraw/zinc/43/61/75/1127436175.db2.gz SXJNUJPCKUUDEQ-UHFFFAOYSA-N 0 1 258.346 3.898 20 0 CHADMN c1cc2cccc(NCc3n[nH]c(C4CC4)n3)c2s1 ZINC000359025832 1127445613 /nfs/dbraw/zinc/44/56/13/1127445613.db2.gz CQMHCJPIXXMKIR-UHFFFAOYSA-N 0 1 270.361 3.509 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H](C)c3cccc(F)c3)cc2[nH]1 ZINC000359040299 1127446566 /nfs/dbraw/zinc/44/65/66/1127446566.db2.gz IYZRZKAOQWIEKK-JTQLQIEISA-N 0 1 297.333 3.753 20 0 CHADMN CC(C)[C@@H](NCc1ccco1)c1ccc2[nH]c(=O)oc2c1 ZINC000359260932 1127455551 /nfs/dbraw/zinc/45/55/51/1127455551.db2.gz CWTQJKNYJVAFAX-OAHLLOKOSA-N 0 1 286.331 3.613 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1ccncc1)[C@@H]2C ZINC000359292730 1127456437 /nfs/dbraw/zinc/45/64/37/1127456437.db2.gz MPMQGGGOTCWLST-ZIAGYGMSSA-N 0 1 282.387 3.598 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@H](C)c1ccc(C)o1 ZINC000359308011 1127458426 /nfs/dbraw/zinc/45/84/26/1127458426.db2.gz VVYPJSPBLUOXDP-CHWSQXEVSA-N 0 1 258.365 3.957 20 0 CHADMN COCCCCCNc1ccnc2cc(F)c(OC)cc21 ZINC000359459532 1127464345 /nfs/dbraw/zinc/46/43/45/1127464345.db2.gz SPRNYYDYWZLTKA-UHFFFAOYSA-N 0 1 292.354 3.611 20 0 CHADMN c1cc(-c2ccc(CNc3cc4c(cn3)CCCC4)o2)n[nH]1 ZINC000359475946 1127464469 /nfs/dbraw/zinc/46/44/69/1127464469.db2.gz UWVAEWOVXFLNBU-UHFFFAOYSA-N 0 1 294.358 3.556 20 0 CHADMN CCC1(C(=O)Nc2ccc3nc[nH]c3c2)CCCCC1 ZINC000359584488 1127468489 /nfs/dbraw/zinc/46/84/89/1127468489.db2.gz DMKJMCPWRMEFFM-UHFFFAOYSA-N 0 1 271.364 3.862 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)CN([C@H]1C=CCCC1)CC3 ZINC000595571516 1127466120 /nfs/dbraw/zinc/46/61/20/1127466120.db2.gz XAJUSQUBORRLNM-AWEZNQCLSA-N 0 1 266.388 3.943 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1ccn(-c2cccc(F)c2)n1 ZINC000595571809 1127466223 /nfs/dbraw/zinc/46/62/23/1127466223.db2.gz JMMIMEAZYGTHSP-OKILXGFUSA-N 0 1 287.382 3.774 20 0 CHADMN COc1cc2c(cc1F)nccc2NCC1(C)CC1 ZINC000359545293 1127466898 /nfs/dbraw/zinc/46/68/98/1127466898.db2.gz RWCNWRSCNHVPPD-UHFFFAOYSA-N 0 1 260.312 3.595 20 0 CHADMN C[C@H]1CC[C@]2(CCN(CC(=O)c3c[nH]c4ccccc34)C2)C1 ZINC000359538347 1127466959 /nfs/dbraw/zinc/46/69/59/1127466959.db2.gz AVYPEKMVTFGEIH-LIRRHRJNSA-N 0 1 296.414 3.863 20 0 CHADMN Cc1cccc2nc(N3CCc4cnccc43)sc21 ZINC000359545848 1127467272 /nfs/dbraw/zinc/46/72/72/1127467272.db2.gz JXTNAGJHMWSEJO-UHFFFAOYSA-N 0 1 267.357 3.694 20 0 CHADMN COC(=O)c1sccc1CN1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359553354 1127467432 /nfs/dbraw/zinc/46/74/32/1127467432.db2.gz HJRVWITWCABXJJ-BLLLJJGKSA-N 0 1 293.432 3.547 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)COC2)c1ccc(Cl)cn1 ZINC000359627486 1127470088 /nfs/dbraw/zinc/47/00/88/1127470088.db2.gz CSGWOFUYCDRDBB-LLVKDONJSA-N 0 1 288.778 3.616 20 0 CHADMN CSCCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595676627 1127471999 /nfs/dbraw/zinc/47/19/99/1127471999.db2.gz QZKCLDLFXDTRHJ-CYBMUJFWSA-N 0 1 251.395 3.560 20 0 CHADMN CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([O-])c(Cl)c2)C1 ZINC000227376931 1127475062 /nfs/dbraw/zinc/47/50/62/1127475062.db2.gz OZXSFBSGEZHVAV-VXGBXAGGSA-N 0 1 285.840 3.809 20 0 CHADMN C[C@@H](CC(=O)OC(C)(C)C)NCc1ccsc1Cl ZINC000359731234 1127475655 /nfs/dbraw/zinc/47/56/55/1127475655.db2.gz AJALNQGKXQRZGS-VIFPVBQESA-N 0 1 289.828 3.611 20 0 CHADMN Fc1ccc2c(c1)CC[C@H](N[C@H]1CCCCC1(F)F)C2 ZINC001168408365 1127478046 /nfs/dbraw/zinc/47/80/46/1127478046.db2.gz VWUFFPACYAZPLT-GJZGRUSLSA-N 0 1 283.337 3.851 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)c2ccoc2C(C)C)c1 ZINC000359931489 1127483654 /nfs/dbraw/zinc/48/36/54/1127483654.db2.gz AZQGILFNNZYBHU-UHFFFAOYSA-N 0 1 287.315 3.564 20 0 CHADMN C[C@@H](N[C@@H](C)CC(F)(F)F)c1ccc(Cl)cn1 ZINC000359995889 1127486461 /nfs/dbraw/zinc/48/64/61/1127486461.db2.gz UYRZHDGVZOWRQG-JGVFFNPUSA-N 0 1 266.694 3.727 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)Nc2c(C)cccc2C)c1 ZINC000360164860 1127491487 /nfs/dbraw/zinc/49/14/87/1127491487.db2.gz JNDWBXDHOJPUJA-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN Cc1cccc(CN[C@H](C)c2ccc(F)c(C)c2)n1 ZINC000360163701 1127491545 /nfs/dbraw/zinc/49/15/45/1127491545.db2.gz DHRHOTSDKVUROD-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)c1 ZINC000360224765 1127492850 /nfs/dbraw/zinc/49/28/50/1127492850.db2.gz GLUHOMCKCQHOJK-HUUCEWRRSA-N 0 1 297.402 3.522 20 0 CHADMN CCC(C)(C)CC(=O)Nc1cc2cn[nH]c2cc1C ZINC000360429752 1127498666 /nfs/dbraw/zinc/49/86/66/1127498666.db2.gz TZPBHVQSWCCWTN-UHFFFAOYSA-N 0 1 259.353 3.636 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C[C@@H]1CCC[C@H]1C ZINC000360433169 1127499087 /nfs/dbraw/zinc/49/90/87/1127499087.db2.gz GTFYKPBUJWPRFA-PWSUYJOCSA-N 0 1 271.364 3.636 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1cccc(O)c1)[C@@H]2C ZINC000543778874 1127499479 /nfs/dbraw/zinc/49/94/79/1127499479.db2.gz ARNYUXJBSJWIJI-UONOGXRCSA-N 0 1 297.398 3.909 20 0 CHADMN CSc1ccc(CN[C@H](C)c2cncs2)cc1 ZINC000360579121 1127502295 /nfs/dbraw/zinc/50/22/95/1127502295.db2.gz JBNFIXAQQSPVMH-SNVBAGLBSA-N 0 1 264.419 3.716 20 0 CHADMN Fc1cccc(CN2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000360639963 1127504097 /nfs/dbraw/zinc/50/40/97/1127504097.db2.gz VVIOXDDPSUAOKR-UHFFFAOYSA-N 0 1 293.773 3.513 20 0 CHADMN CCOc1ccccc1CNCc1ccsc1C ZINC000293588948 1127507906 /nfs/dbraw/zinc/50/79/06/1127507906.db2.gz OEUGZDBHQJEZLH-UHFFFAOYSA-N 0 1 261.390 3.745 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1cnc([C@H](C)O)s1 ZINC000293635310 1127510008 /nfs/dbraw/zinc/51/00/08/1127510008.db2.gz LSSHMYGKCYZJNV-LBPRGKRZSA-N 0 1 290.432 3.530 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1CCCc2ccccc21 ZINC000293659625 1127511340 /nfs/dbraw/zinc/51/13/40/1127511340.db2.gz ILFZMPHTCOSQGE-QGZVFWFLSA-N 0 1 270.376 3.713 20 0 CHADMN CCc1noc(C)c1CN[C@H]1CCc2cc(Cl)ccc21 ZINC000293698929 1127513425 /nfs/dbraw/zinc/51/34/25/1127513425.db2.gz LVQBNQIKBPPXCK-INIZCTEOSA-N 0 1 290.794 3.976 20 0 CHADMN O=C(Nc1cccc(C2CCC2)c1)[C@H]1CCCN1C1CC1 ZINC000360890401 1127517816 /nfs/dbraw/zinc/51/78/16/1127517816.db2.gz XWILRRFGIZCOCN-QGZVFWFLSA-N 0 1 284.403 3.519 20 0 CHADMN COc1ncc(F)cc1CN1CCC2(CCCCC2)CC1 ZINC001231739770 1127520904 /nfs/dbraw/zinc/52/09/04/1127520904.db2.gz GLHNATBOTDQQAX-UHFFFAOYSA-N 0 1 292.398 3.776 20 0 CHADMN CCO[C@H]1C[C@H](NCc2c(F)cccc2Cl)C12CCC2 ZINC000360931589 1127521717 /nfs/dbraw/zinc/52/17/17/1127521717.db2.gz PVNSPPKJZOSLPL-GJZGRUSLSA-N 0 1 297.801 3.916 20 0 CHADMN CCCCN1C(=O)N=NC1SCCCc1ccsc1 ZINC000360948815 1127523082 /nfs/dbraw/zinc/52/30/82/1127523082.db2.gz DMOIOGMCPGDWGX-UHFFFAOYSA-N 0 1 297.449 3.570 20 0 CHADMN CC(C)c1nnc(CN[C@H](C)CCc2ccsc2)s1 ZINC000360964168 1127523532 /nfs/dbraw/zinc/52/35/32/1127523532.db2.gz NSIKPZDOIRTFMS-LLVKDONJSA-N 0 1 295.477 3.834 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000360959654 1127523941 /nfs/dbraw/zinc/52/39/41/1127523941.db2.gz VEXDOTPVQNXTQY-RCJHGTSTSA-N 0 1 285.497 3.600 20 0 CHADMN C[C@H](N[C@H]1CCCc2sc(Cl)cc21)c1ccnn1C ZINC000293885958 1127529686 /nfs/dbraw/zinc/52/96/86/1127529686.db2.gz YXUZAZOEKZAUGL-ONGXEEELSA-N 0 1 295.839 3.863 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C)C[C@H]2c2ccco2)cn1 ZINC000360987016 1127525876 /nfs/dbraw/zinc/52/58/76/1127525876.db2.gz MVVNFMPEXHRXMW-CJNGLKHVSA-N 0 1 270.376 3.956 20 0 CHADMN C[C@H](C[S@](C)=O)N(C)Cc1cccc(C2CCCC2)c1 ZINC000597083801 1127527251 /nfs/dbraw/zinc/52/72/51/1127527251.db2.gz ULJNAVQGTISVGM-VLIAUNLRSA-N 0 1 293.476 3.543 20 0 CHADMN Cn1ccc([C@H](NCCCCF)c2ccc(Cl)cc2)n1 ZINC000361001209 1127528438 /nfs/dbraw/zinc/52/84/38/1127528438.db2.gz DSGFNQDPSAMKMX-OAHLLOKOSA-N 0 1 295.789 3.502 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1ccsc1 ZINC000361142177 1127541744 /nfs/dbraw/zinc/54/17/44/1127541744.db2.gz PBFIHFLGBHBCIG-GXSJLCMTSA-N 0 1 263.328 3.911 20 0 CHADMN Cc1ccc(CN2CCC[C@H](C(F)(F)F)[C@H]2C)o1 ZINC000361139906 1127541991 /nfs/dbraw/zinc/54/19/91/1127541991.db2.gz INTOCMDIJAFNNO-PWSUYJOCSA-N 0 1 261.287 3.751 20 0 CHADMN Cc1cc2[nH]c(CN(C)Cc3ccncc3)cc2c(C)c1 ZINC000361168054 1127544188 /nfs/dbraw/zinc/54/41/88/1127544188.db2.gz RONCTBKOZQQKGA-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN CN(Cc1cccnc1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361237142 1127549471 /nfs/dbraw/zinc/54/94/71/1127549471.db2.gz IIORDEBWEONXDI-STQMWFEESA-N 0 1 272.314 3.635 20 0 CHADMN C[C@@H]1CCCN(Cc2cncc(C(F)(F)F)c2)[C@H]1C ZINC000361308600 1127555345 /nfs/dbraw/zinc/55/53/45/1127555345.db2.gz BFNDVOWYDSPQDK-MNOVXSKESA-N 0 1 272.314 3.721 20 0 CHADMN C[C@@H]1C[C@H](C)CCN(Cc2cncc(C(F)(F)F)c2)C1 ZINC000361325581 1127556922 /nfs/dbraw/zinc/55/69/22/1127556922.db2.gz STZKWRFHAQUYLR-VXGBXAGGSA-N 0 1 286.341 3.968 20 0 CHADMN CCCC[C@@H](C)N(CCCC)C(=O)c1cnc(C)[nH]1 ZINC000294197264 1127557047 /nfs/dbraw/zinc/55/70/47/1127557047.db2.gz USPKRGPZTKDCGT-GFCCVEGCSA-N 0 1 265.401 3.539 20 0 CHADMN CN(Cc1nc2ccccc2o1)[C@H]1C[C@@H]1c1ccccc1 ZINC000361325304 1127557095 /nfs/dbraw/zinc/55/70/95/1127557095.db2.gz RQLFCOUTCMXSIL-ZBFHGGJFSA-N 0 1 278.355 3.816 20 0 CHADMN Fc1ccc2c(c1)CN([C@@H]1C[C@@H]1c1ccccc1)CCO2 ZINC000361392937 1127560689 /nfs/dbraw/zinc/56/06/89/1127560689.db2.gz VFKCEQASYACLFB-IAGOWNOFSA-N 0 1 283.346 3.576 20 0 CHADMN CCC(CC)n1ccc(CN2CCC[C@](C)(OC)CC2)n1 ZINC000361423512 1127562392 /nfs/dbraw/zinc/56/23/92/1127562392.db2.gz CJFFSNPRAIOQSF-KRWDZBQOSA-N 0 1 293.455 3.635 20 0 CHADMN COC(=O)c1sccc1CN(C)[C@@H]1CCC(C)(C)C1 ZINC000361470562 1127565351 /nfs/dbraw/zinc/56/53/51/1127565351.db2.gz OKMNQYDSSUGGKG-GFCCVEGCSA-N 0 1 281.421 3.545 20 0 CHADMN CCC1(CC)CCN(Cc2csc(N(C)C3CC3)n2)C1 ZINC000361543098 1127570717 /nfs/dbraw/zinc/57/07/17/1127570717.db2.gz KLSBHMPDAZCGJE-UHFFFAOYSA-N 0 1 293.480 3.754 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccccc1)c1ccc2ccccc2n1 ZINC000361480946 1127566447 /nfs/dbraw/zinc/56/64/47/1127566447.db2.gz IAIYUKUXLRHYPA-LIRRHRJNSA-N 0 1 292.382 3.619 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cccc(-n3ccnc3)c2)o1 ZINC000361483467 1127566740 /nfs/dbraw/zinc/56/67/40/1127566740.db2.gz DPPPIYGEXYTPLK-CQSZACIVSA-N 0 1 295.386 3.879 20 0 CHADMN Cc1noc(C)c1CNCc1ccc(-c2ccncc2)cc1 ZINC000361502579 1127568444 /nfs/dbraw/zinc/56/84/44/1127568444.db2.gz CKHOBGHFTQOAAG-UHFFFAOYSA-N 0 1 293.370 3.643 20 0 CHADMN COC1(CN(C)Cc2nc3ccccc3s2)CCCC1 ZINC000361511031 1127568942 /nfs/dbraw/zinc/56/89/42/1127568942.db2.gz NWHRTOBYNZXEKM-UHFFFAOYSA-N 0 1 290.432 3.687 20 0 CHADMN C[C@@H]1CCN(Cc2ccsc2Cl)C[C@@H]1n1ccnc1 ZINC000361557728 1127572024 /nfs/dbraw/zinc/57/20/24/1127572024.db2.gz SCKKDSFWTZEQLI-YPMHNXCESA-N 0 1 295.839 3.681 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1C[C@H](F)C[C@H]1C ZINC001232001729 1127572471 /nfs/dbraw/zinc/57/24/71/1127572471.db2.gz GVSZSKNHKVDQFQ-ZWNOBZJWSA-N 0 1 275.289 3.946 20 0 CHADMN CCCCc1noc([C@H](C)N(C)CC2CCCCC2)n1 ZINC000641958820 1127579771 /nfs/dbraw/zinc/57/97/71/1127579771.db2.gz ASGHMGHXGFARKJ-ZDUSSCGKSA-N 0 1 279.428 3.985 20 0 CHADMN Cc1cnccc1CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000294532895 1127580716 /nfs/dbraw/zinc/58/07/16/1127580716.db2.gz HOIVSSSXIQDFND-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN Cc1oc2ccccc2c1CCNCc1cscn1 ZINC000361745149 1127586120 /nfs/dbraw/zinc/58/61/20/1127586120.db2.gz STQZVNBPZKCDPS-UHFFFAOYSA-N 0 1 272.373 3.530 20 0 CHADMN COc1ccc([C@@H](C)[N@@H+](C)Cc2ccncc2C)cc1 ZINC000294610343 1127586387 /nfs/dbraw/zinc/58/63/87/1127586387.db2.gz WGPKMLHEWGUGPZ-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN Cc1cc(CN2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000294626347 1127587890 /nfs/dbraw/zinc/58/78/90/1127587890.db2.gz ZLDKVVYRJWDUIL-NSHDSACASA-N 0 1 263.328 3.831 20 0 CHADMN CCn1cc([C@H](C)NCc2cc(F)ccc2SC)cn1 ZINC000361806185 1127589975 /nfs/dbraw/zinc/58/99/75/1127589975.db2.gz YYEOFYNLLBKVIU-NSHDSACASA-N 0 1 293.411 3.615 20 0 CHADMN CC[C@H](C)[C@H](CNCc1ccnc(Cl)c1Cl)OC ZINC000294757678 1127596916 /nfs/dbraw/zinc/59/69/16/1127596916.db2.gz ITILOLNZWRQKGW-ONGXEEELSA-N 0 1 291.222 3.539 20 0 CHADMN CC1(C)OCC[C@H]1NCc1csc(-c2ccsc2)n1 ZINC000294777471 1127598665 /nfs/dbraw/zinc/59/86/65/1127598665.db2.gz KURPSJILVDGCSA-GFCCVEGCSA-N 0 1 294.445 3.529 20 0 CHADMN Cc1ccncc1CN1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000294988210 1127612344 /nfs/dbraw/zinc/61/23/44/1127612344.db2.gz KKHAAFHXEDKYEF-YPMHNXCESA-N 0 1 272.314 3.553 20 0 CHADMN FC(F)(F)c1cnc(CN[C@H]2CCC[C@H](C3CC3)C2)nc1 ZINC000294990107 1127612389 /nfs/dbraw/zinc/61/23/89/1127612389.db2.gz KNHOTIXZUXDNJI-AAEUAGOBSA-N 0 1 299.340 3.554 20 0 CHADMN FC(F)(F)c1cnc(CN[C@H]2CCCC23CCCC3)nc1 ZINC000294917408 1127608220 /nfs/dbraw/zinc/60/82/20/1127608220.db2.gz FJMIDHHTLCHQKP-LBPRGKRZSA-N 0 1 299.340 3.698 20 0 CHADMN Cc1cc(CNCc2ccnc(C(F)(F)F)c2)ccc1F ZINC000294918732 1127608287 /nfs/dbraw/zinc/60/82/87/1127608287.db2.gz ASNLSROBXNOVIB-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN CSC1CCN(Cc2sccc2Cl)CC1 ZINC000602727013 1127610232 /nfs/dbraw/zinc/61/02/32/1127610232.db2.gz WAOXMHVQCAIPHK-UHFFFAOYSA-N 0 1 261.843 3.729 20 0 CHADMN CSC1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000602922492 1127622506 /nfs/dbraw/zinc/62/25/06/1127622506.db2.gz WMGPPLBODOTPPQ-JTQLQIEISA-N 0 1 271.376 3.853 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000295145214 1127623679 /nfs/dbraw/zinc/62/36/79/1127623679.db2.gz CAWVDMJLMHVXRU-KEYYUXOJSA-N 0 1 283.419 3.796 20 0 CHADMN C[C@H](N[C@H]1CCOC1(C)C)c1ncc(-c2ccccc2)o1 ZINC000295185624 1127626217 /nfs/dbraw/zinc/62/62/17/1127626217.db2.gz IREUBINTDAZYTC-WFASDCNBSA-N 0 1 286.375 3.560 20 0 CHADMN c1csc(-c2n[nH]cc2CN2CC3(C2)CCCC3)c1 ZINC000362312924 1127627128 /nfs/dbraw/zinc/62/71/28/1127627128.db2.gz OWGDEOJKDBHBCS-UHFFFAOYSA-N 0 1 273.405 3.514 20 0 CHADMN Clc1cccc(Cl)c1CNCCOC1CCC1 ZINC000690685469 1127628161 /nfs/dbraw/zinc/62/81/61/1127628161.db2.gz JLNQFRDNPVJSEA-UHFFFAOYSA-N 0 1 274.191 3.652 20 0 CHADMN CC[C@]1(C)CCCN(Cc2cc(-c3ccco3)on2)C1 ZINC000362385453 1127631568 /nfs/dbraw/zinc/63/15/68/1127631568.db2.gz ZMOSZCGYUILERR-MRXNPFEDSA-N 0 1 274.364 3.947 20 0 CHADMN Cc1cnc(CN2CCCC[C@@H](C)C2)c(Br)c1 ZINC001232173312 1127631912 /nfs/dbraw/zinc/63/19/12/1127631912.db2.gz QEDYXTIYJXOWEA-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2ccns2)c1 ZINC001232189767 1127632960 /nfs/dbraw/zinc/63/29/60/1127632960.db2.gz MPIZMYUJQHNPLS-OAHLLOKOSA-N 0 1 258.390 3.789 20 0 CHADMN Cc1sccc1CN1CC=C(C(F)(F)F)CC1 ZINC000295295739 1127633481 /nfs/dbraw/zinc/63/34/81/1127633481.db2.gz JLCAUYCPHLXCRL-UHFFFAOYSA-N 0 1 261.312 3.751 20 0 CHADMN C[C@H]1CN(Cc2csc(C3CCCC3)n2)C[C@H]1C ZINC000362432294 1127635438 /nfs/dbraw/zinc/63/54/38/1127635438.db2.gz YSEHDPNFIQTFND-TXEJJXNPSA-N 0 1 264.438 3.889 20 0 CHADMN CC[C@H]1CCC[C@@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000295635686 1127648778 /nfs/dbraw/zinc/64/87/78/1127648778.db2.gz CZMXYOHZJPCHGZ-IUCAKERBSA-N 0 1 285.746 3.950 20 0 CHADMN C[C@H]1Oc2ccccc2[C@@H]1NCc1ccc(C(C)(C)O)cc1 ZINC000295696429 1127650307 /nfs/dbraw/zinc/65/03/07/1127650307.db2.gz MCEFPAXEIVYPSF-FZKQIMNGSA-N 0 1 297.398 3.526 20 0 CHADMN Cc1ccc(CCNc2ccnc3cc(F)ccc32)o1 ZINC000603493213 1127654230 /nfs/dbraw/zinc/65/42/30/1127654230.db2.gz QMEBTNXLZHLGLG-UHFFFAOYSA-N 0 1 270.307 3.930 20 0 CHADMN CO[C@@H]1CCN([C@@H](C)c2c(F)cccc2F)CC1(C)C ZINC000295855062 1127655949 /nfs/dbraw/zinc/65/59/49/1127655949.db2.gz DUSIVPOEDPFPFG-SMDDNHRTSA-N 0 1 283.362 3.773 20 0 CHADMN COc1cccc2c1OCC[C@@H]2NCc1cc(C)cc(C)c1 ZINC000603518771 1127656705 /nfs/dbraw/zinc/65/67/05/1127656705.db2.gz MDDJKWABHOZXHH-KRWDZBQOSA-N 0 1 297.398 3.925 20 0 CHADMN CC[C@H](C)N(CC)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000669687655 1127658517 /nfs/dbraw/zinc/65/85/17/1127658517.db2.gz LBMGLWGSEVVOTL-JTQLQIEISA-N 0 1 293.798 3.609 20 0 CHADMN c1ccc(-c2n[nH]c(SC3Cc4ccccc4C3)n2)cc1 ZINC000599124060 1127657799 /nfs/dbraw/zinc/65/77/99/1127657799.db2.gz XFRWAYIYAWLHRO-UHFFFAOYSA-N 0 1 293.395 3.731 20 0 CHADMN CC(C)c1ccc([C@@H](C)N2CCCC3(C2)OCCO3)cc1 ZINC000784204981 1127661330 /nfs/dbraw/zinc/66/13/30/1127661330.db2.gz OCDNFUCRINODEY-OAHLLOKOSA-N 0 1 289.419 3.710 20 0 CHADMN CCc1ccc(CN[C@@H](c2cccs2)C(C)(C)CO)o1 ZINC000296170907 1127664586 /nfs/dbraw/zinc/66/45/86/1127664586.db2.gz YVOGWJDBIZKGLU-HNNXBMFYSA-N 0 1 293.432 3.753 20 0 CHADMN C[C@H](NC(=O)C(F)(F)F)c1cc2ccccc2s1 ZINC000170951882 1127669061 /nfs/dbraw/zinc/66/90/61/1127669061.db2.gz AUWZDNRMECUQPE-ZETCQYMHSA-N 0 1 273.279 3.641 20 0 CHADMN CCCC[C@H](NCc1n[nH]c(C(C)C)n1)c1ccccc1 ZINC000296506210 1127673951 /nfs/dbraw/zinc/67/39/51/1127673951.db2.gz PHBWEPUWXPMJLX-HNNXBMFYSA-N 0 1 286.423 3.949 20 0 CHADMN CC[C@H](N[C@H](CCO)c1ccco1)c1ccsc1 ZINC000296545474 1127675359 /nfs/dbraw/zinc/67/53/59/1127675359.db2.gz SOFJLHOPOZUQFT-QWHCGFSZSA-N 0 1 265.378 3.506 20 0 CHADMN FC(F)(F)COCCCNc1ccc2cnccc2c1 ZINC000296679687 1127681749 /nfs/dbraw/zinc/68/17/49/1127681749.db2.gz GKGGIQOMUUITEX-UHFFFAOYSA-N 0 1 284.281 3.616 20 0 CHADMN C[C@@H]1[N@@H+](Cc2ccc(Cl)s2)CCC12CCOCC2 ZINC000363792395 1127685235 /nfs/dbraw/zinc/68/52/35/1127685235.db2.gz FXOBXDTUSWUGTA-NSHDSACASA-N 0 1 285.840 3.793 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](CO)c2ccc(F)cc2)cs1 ZINC000296913330 1127685860 /nfs/dbraw/zinc/68/58/60/1127685860.db2.gz PJWBTTZOYDBEAE-ABAIWWIYSA-N 0 1 279.380 3.580 20 0 CHADMN CCC[C@H]1CCC[C@@H]1C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000297227726 1127691605 /nfs/dbraw/zinc/69/16/05/1127691605.db2.gz TWTTUQOHDIHKEE-UWVGGRQHSA-N 0 1 285.338 3.811 20 0 CHADMN CCCCN(C(=O)c1cnc[nH]1)[C@H](CC)c1ccccc1 ZINC000604088287 1127693488 /nfs/dbraw/zinc/69/34/88/1127693488.db2.gz ZSGZLFQGBPNFST-MRXNPFEDSA-N 0 1 285.391 3.803 20 0 CHADMN CC(C)c1nnc(CN(C)[C@H]2CCC[C@H]2c2ccccc2)o1 ZINC000297421815 1127696074 /nfs/dbraw/zinc/69/60/74/1127696074.db2.gz DRQYZUHQUFSLCO-HOTGVXAUSA-N 0 1 299.418 3.961 20 0 CHADMN CC[C@@H](NCc1cc(C2CC2)ccc1F)c1cnn(C)c1 ZINC000297428796 1127696297 /nfs/dbraw/zinc/69/62/97/1127696297.db2.gz VENYIQAPMORSHU-QGZVFWFLSA-N 0 1 287.382 3.678 20 0 CHADMN Cc1ccc(CN2CC(C3CCOCC3)C2)cc1Cl ZINC000669715083 1127704643 /nfs/dbraw/zinc/70/46/43/1127704643.db2.gz FWSBTEWJWZUCFI-UHFFFAOYSA-N 0 1 279.811 3.507 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H](C)c1cccc(C)c1C ZINC000297592671 1127701098 /nfs/dbraw/zinc/70/10/98/1127701098.db2.gz HSMTYMDCJFJLRH-LSDHHAIUSA-N 0 1 271.408 3.932 20 0 CHADMN CC(C)(N[C@H]1CCC[C@@H](c2cccnc2)C1)C(F)F ZINC000669713692 1127702186 /nfs/dbraw/zinc/70/21/86/1127702186.db2.gz VXAWMXHAQFXLAT-YPMHNXCESA-N 0 1 268.351 3.741 20 0 CHADMN Fc1ccc([C@H](N[C@H]2CCn3ccnc32)C2CCC2)cc1 ZINC000297625621 1127702762 /nfs/dbraw/zinc/70/27/62/1127702762.db2.gz JBLPVGDRTDVFDW-JKSUJKDBSA-N 0 1 285.366 3.598 20 0 CHADMN CCCc1nc(CN2CCCC3(CC3)CC2)cs1 ZINC000626113323 1127703202 /nfs/dbraw/zinc/70/32/02/1127703202.db2.gz NJZJRUNQOLNPIA-UHFFFAOYSA-N 0 1 264.438 3.862 20 0 CHADMN Cc1ccccc1[C@H](N[C@H]1C[C@@H](C)n2ccnc21)C1CC1 ZINC000297683001 1127703722 /nfs/dbraw/zinc/70/37/22/1127703722.db2.gz LQHABHIBQQEQHS-XOKHGSTOSA-N 0 1 281.403 3.938 20 0 CHADMN CC(C)Oc1cccc(CN2CC(C)(C)OCC2(C)C)c1 ZINC000604386041 1127703940 /nfs/dbraw/zinc/70/39/40/1127703940.db2.gz AVONPESWHUHSNL-UHFFFAOYSA-N 0 1 291.435 3.863 20 0 CHADMN CC1(C)CN(Cc2cccc(OC(F)F)c2)C(C)(C)CO1 ZINC000604386220 1127704250 /nfs/dbraw/zinc/70/42/50/1127704250.db2.gz GJBZFIDRNSQRLH-UHFFFAOYSA-N 0 1 299.361 3.677 20 0 CHADMN Fc1ccc([C@H](N[C@@H]2CCn3ccnc32)C2CCCC2)cc1 ZINC000297688992 1127705139 /nfs/dbraw/zinc/70/51/39/1127705139.db2.gz LUFGRQBHSQGKMQ-IAGOWNOFSA-N 0 1 299.393 3.988 20 0 CHADMN CC1(C)CN(CCSc2ccc(F)cc2)C(C)(C)CO1 ZINC000604607962 1127710465 /nfs/dbraw/zinc/71/04/65/1127710465.db2.gz IBNJDQZGUCGWIB-UHFFFAOYSA-N 0 1 297.439 3.807 20 0 CHADMN CC[C@H](N)c1cc(-c2ccccc2Br)no1 ZINC000229869722 1127712104 /nfs/dbraw/zinc/71/21/04/1127712104.db2.gz LOXWEZANMFVANY-JTQLQIEISA-N 0 1 281.153 3.514 20 0 CHADMN Nc1cc(CN2CCC[C@H]2c2ccc(Cl)cc2)ccn1 ZINC000297957580 1127712241 /nfs/dbraw/zinc/71/22/41/1127712241.db2.gz UDUPHIRYGYJELH-HNNXBMFYSA-N 0 1 287.794 3.654 20 0 CHADMN C[C@H](Sc1nc(C(C)(C)C)n[nH]1)c1ccccc1 ZINC000298099093 1127714588 /nfs/dbraw/zinc/71/45/88/1127714588.db2.gz QIIDIXHRIKFVBC-JTQLQIEISA-N 0 1 261.394 3.956 20 0 CHADMN CCOc1cc(CN2CCC[C@H]2c2ccncc2)ccc1O ZINC000298120731 1127714708 /nfs/dbraw/zinc/71/47/08/1127714708.db2.gz PHDFUKQIPJOUSW-INIZCTEOSA-N 0 1 298.386 3.523 20 0 CHADMN Cc1cc(F)ccc1C1CCN(Cc2ccno2)CC1 ZINC000298212773 1127716148 /nfs/dbraw/zinc/71/61/48/1127716148.db2.gz DUFYOIGNGAPGGH-UHFFFAOYSA-N 0 1 274.339 3.502 20 0 CHADMN Cc1noc([C@@H](C)N2CCC[C@@H](C(C)(C)C)CC2)n1 ZINC000604759880 1127716300 /nfs/dbraw/zinc/71/63/00/1127716300.db2.gz QOJDEXCFVZTHSJ-DGCLKSJQSA-N 0 1 265.401 3.587 20 0 CHADMN CC[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)C ZINC000298301523 1127718315 /nfs/dbraw/zinc/71/83/15/1127718315.db2.gz QOMTZDHMLLKUOE-KRWDZBQOSA-N 0 1 282.387 3.632 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N(C)Cc1cccnc1 ZINC000298298455 1127718739 /nfs/dbraw/zinc/71/87/39/1127718739.db2.gz VMJCUMOEKVOVDM-GFCCVEGCSA-N 0 1 260.768 3.928 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(Cl)nc2)cc(C)c1O ZINC000298330122 1127719216 /nfs/dbraw/zinc/71/92/16/1127719216.db2.gz RZRDEAZMFTZDTJ-UHFFFAOYSA-N 0 1 290.794 3.689 20 0 CHADMN COCCCCCN1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000604885454 1127720801 /nfs/dbraw/zinc/72/08/01/1127720801.db2.gz QLZNGMHCKKEFKO-UHFFFAOYSA-N 0 1 286.419 3.651 20 0 CHADMN c1ccc(CCCSc2nc(-c3ccccn3)n[nH]2)cc1 ZINC000604933058 1127721256 /nfs/dbraw/zinc/72/12/56/1127721256.db2.gz TYVAIIPWJKZKEQ-UHFFFAOYSA-N 0 1 296.399 3.592 20 0 CHADMN CCOC1(C)CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000298435871 1127723448 /nfs/dbraw/zinc/72/34/48/1127723448.db2.gz YRNKTRFHSYRZCB-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN CCC[C@@H](CC)C(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000823150106 1131414704 /nfs/dbraw/zinc/41/47/04/1131414704.db2.gz UAWFAGKISBEMGI-LLVKDONJSA-N 0 1 287.363 3.547 20 0 CHADMN O=C(c1cc(C2CCCCC2)[nH]n1)N1CCCC12CCC2 ZINC000365547851 1127732528 /nfs/dbraw/zinc/73/25/28/1127732528.db2.gz AZQCVAVMXHFSSQ-UHFFFAOYSA-N 0 1 287.407 3.616 20 0 CHADMN CC(C)(C(=O)Nc1ccc2nc[nH]c2c1)c1cccc(F)c1 ZINC000605504518 1127738303 /nfs/dbraw/zinc/73/83/03/1127738303.db2.gz CPWHYMXTXHPGAU-UHFFFAOYSA-N 0 1 297.333 3.618 20 0 CHADMN C[C@@H](c1cccnc1)N(C)Cc1cccc(Cl)c1 ZINC000299050030 1127739549 /nfs/dbraw/zinc/73/95/49/1127739549.db2.gz TVBLTRUBBXZDSH-LBPRGKRZSA-N 0 1 260.768 3.928 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)c1 ZINC000605522605 1127741585 /nfs/dbraw/zinc/74/15/85/1127741585.db2.gz JOMXMDOTXCWTLH-IOASZLSFSA-N 0 1 297.402 3.665 20 0 CHADMN CO[C@@]1(C)CCC[N@@H+](Cc2nc(C(C)(C)C)cs2)CC1 ZINC000366472925 1127746812 /nfs/dbraw/zinc/74/68/12/1127746812.db2.gz JVCFHFHFLWAROC-INIZCTEOSA-N 0 1 296.480 3.832 20 0 CHADMN CO[C@@]1(C)CCCN(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000366472925 1127746818 /nfs/dbraw/zinc/74/68/18/1127746818.db2.gz JVCFHFHFLWAROC-INIZCTEOSA-N 0 1 296.480 3.832 20 0 CHADMN Cc1nccc(CN2C[C@H]3CCCC[C@]32c2ccccc2)n1 ZINC000366490088 1127747175 /nfs/dbraw/zinc/74/71/75/1127747175.db2.gz QJHJDEJQVRCTAO-MJGOQNOKSA-N 0 1 293.414 3.686 20 0 CHADMN Cc1oc(C)c(C(=O)Nc2cccc(Cl)c2O)c1C ZINC000605888437 1127747979 /nfs/dbraw/zinc/74/79/79/1127747979.db2.gz ZPYOOZXFBXKLHB-UHFFFAOYSA-N 0 1 279.723 3.816 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cccc(CF)n1 ZINC001232536395 1127749471 /nfs/dbraw/zinc/74/94/71/1127749471.db2.gz CHICWNBVFPPZBH-UHFFFAOYSA-N 0 1 276.330 3.712 20 0 CHADMN CC(C)OC[C@H](C)N[C@@H](c1ccco1)c1ccccc1 ZINC000367042845 1127749838 /nfs/dbraw/zinc/74/98/38/1127749838.db2.gz KZTXMPXAGKHJEZ-WMLDXEAASA-N 0 1 273.376 3.772 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)C(F)(F)c1ccccc1 ZINC000172355474 1127758283 /nfs/dbraw/zinc/75/82/83/1127758283.db2.gz ZFGWDNQRJDRFPA-UHFFFAOYSA-N 0 1 297.688 3.776 20 0 CHADMN COc1cc(C)c(C)cc1CN(C)C1CC(F)(F)C1 ZINC001238759638 1131241020 /nfs/dbraw/zinc/24/10/20/1131241020.db2.gz MHZDHZBSRJKEDR-UHFFFAOYSA-N 0 1 269.335 3.542 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1Cc1nc(C(C)C)no1 ZINC000606433928 1127762005 /nfs/dbraw/zinc/76/20/05/1127762005.db2.gz CJEVJOKPZCQKMM-STQMWFEESA-N 0 1 265.401 3.594 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N1C[C@@H](C)OC(C)(C)C1 ZINC000606431949 1127762342 /nfs/dbraw/zinc/76/23/42/1127762342.db2.gz LFPKQWSARZYVAE-IUODEOHRSA-N 0 1 265.372 3.776 20 0 CHADMN CCO[C@@H]1CCCN(CCc2c(F)cccc2Cl)C1 ZINC000606439404 1127762817 /nfs/dbraw/zinc/76/28/17/1127762817.db2.gz XKAVUKFBSOFHLH-GFCCVEGCSA-N 0 1 285.790 3.523 20 0 CHADMN CCCCOCCN1CCc2cc(F)ccc2[C@@H]1C ZINC000606540578 1127766161 /nfs/dbraw/zinc/76/61/61/1127766161.db2.gz VGTCHKJTHZPLAX-ZDUSSCGKSA-N 0 1 265.372 3.562 20 0 CHADMN COc1c(C)cnc(CN(C)Cc2ccccc2C)c1C ZINC000409446747 1127768417 /nfs/dbraw/zinc/76/84/17/1127768417.db2.gz WVEHOTUHMVICEK-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN CC(C)C[C@H]1COCCN1C[C@H]1CCC2(CCCCC2)O1 ZINC000409446840 1127768505 /nfs/dbraw/zinc/76/85/05/1127768505.db2.gz QGTQUXWEHQSXSZ-DLBZAZTESA-N 0 1 295.467 3.615 20 0 CHADMN CC[C@H]1C[C@H](C)CN1Cc1csc(C2CC2)n1 ZINC000409444832 1127769469 /nfs/dbraw/zinc/76/94/69/1127769469.db2.gz ODXPPKAKUHTNRQ-GWCFXTLKSA-N 0 1 250.411 3.641 20 0 CHADMN CC(C)C[C@H](C)C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000372003323 1127785576 /nfs/dbraw/zinc/78/55/76/1127785576.db2.gz MZTCJUJANKNLRI-ZDUSSCGKSA-N 0 1 286.419 3.785 20 0 CHADMN CC(=O)CCN1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000372082133 1127787181 /nfs/dbraw/zinc/78/71/81/1127787181.db2.gz WMIPGKYSUUNRRF-CQSZACIVSA-N 0 1 285.309 3.821 20 0 CHADMN CC(C)CC[C@](C)(O)CNc1ccnc2cc(F)ccc21 ZINC000607147671 1127792231 /nfs/dbraw/zinc/79/22/31/1127792231.db2.gz HUBPZFZWHJLCHJ-KRWDZBQOSA-N 0 1 290.382 3.973 20 0 CHADMN CCCCc1nc(CN2C[C@H](C)C[C@H]2C)cs1 ZINC000607155464 1127796483 /nfs/dbraw/zinc/79/64/83/1127796483.db2.gz AOZMPELMMQKEGY-VXGBXAGGSA-N 0 1 252.427 3.716 20 0 CHADMN CC(C)CN(Cc1ccno1)[C@@H]1CCCc2cccnc21 ZINC000372336582 1127796903 /nfs/dbraw/zinc/79/69/03/1127796903.db2.gz HTFNYTQXEXJLOA-MRXNPFEDSA-N 0 1 285.391 3.605 20 0 CHADMN CC(C)[C@@H](NCc1ccccc1F)c1ccccn1 ZINC000076902997 1127800463 /nfs/dbraw/zinc/80/04/63/1127800463.db2.gz WCNPAOXYXFHWAS-MRXNPFEDSA-N 0 1 258.340 3.708 20 0 CHADMN C[C@]1(c2ccccc2)CC[C@@H](N2CCC[C@@H]2c2ncon2)C1 ZINC000372678024 1127808550 /nfs/dbraw/zinc/80/85/50/1127808550.db2.gz XJESBJIMUXMCSY-NUJGCVRESA-N 0 1 297.402 3.717 20 0 CHADMN CCC(O)(CC)CN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000819273873 1131241122 /nfs/dbraw/zinc/24/11/22/1131241122.db2.gz DGXOJDSLQVAUBX-SFHVURJKSA-N 0 1 298.430 3.620 20 0 CHADMN c1cc(CN(CCC2CCCC2)Cc2ccccc2)n[nH]1 ZINC000607729153 1127821337 /nfs/dbraw/zinc/82/13/37/1127821337.db2.gz VVZCIARNXBUGHY-UHFFFAOYSA-N 0 1 283.419 3.992 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1CCC[C@@H](C)[C@@H]1C ZINC000607741101 1127822863 /nfs/dbraw/zinc/82/28/63/1127822863.db2.gz RIQJPSLJBMETLW-YPMHNXCESA-N 0 1 294.826 3.707 20 0 CHADMN Fc1ccc([C@H]2CN(CCC3CCCC3)CCO2)cc1 ZINC000607726297 1127824856 /nfs/dbraw/zinc/82/48/56/1127824856.db2.gz QVNZKYZITWPMHZ-QGZVFWFLSA-N 0 1 277.383 3.779 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3cc(F)ccc3Br)C[C@@H]21 ZINC000607753342 1127827543 /nfs/dbraw/zinc/82/75/43/1127827543.db2.gz DAJFNNPEDBPZOQ-TXEJJXNPSA-N 0 1 298.199 3.676 20 0 CHADMN c1ccc(CCc2noc(CN3CCCCCCC3)n2)cc1 ZINC000173454961 1127833324 /nfs/dbraw/zinc/83/33/24/1127833324.db2.gz OMNSOWADXQPSKE-UHFFFAOYSA-N 0 1 299.418 3.621 20 0 CHADMN Cc1c(CN2CCCC(F)(F)CC2)ccnc1Cl ZINC001232752660 1127834164 /nfs/dbraw/zinc/83/41/64/1127834164.db2.gz ZNRWGPYBLPXBJU-UHFFFAOYSA-N 0 1 274.742 3.665 20 0 CHADMN COc1cccc(F)c1[C@@H](C)NCc1[nH]nc2ccccc21 ZINC000608062686 1127841889 /nfs/dbraw/zinc/84/18/89/1127841889.db2.gz JNAFNPGTYVXSSM-LLVKDONJSA-N 0 1 299.349 3.561 20 0 CHADMN Cc1csc([C@@H](NCc2ccc3c[nH]nc3c2)C2CC2)n1 ZINC000608062738 1127842095 /nfs/dbraw/zinc/84/20/95/1127842095.db2.gz ALGQZDPXZFBIDJ-HNNXBMFYSA-N 0 1 298.415 3.569 20 0 CHADMN C[C@H]1C[N@H+](Cc2cccc([O-])c2Cl)CCC[C@@H]1C ZINC001232784585 1127853043 /nfs/dbraw/zinc/85/30/43/1127853043.db2.gz PQVIRUZWOBMQGD-RYUDHWBXSA-N 0 1 267.800 3.914 20 0 CHADMN CCc1ccc(CN2C[C@H](C)C[C@@H]2c2cccnc2)nc1 ZINC000411523580 1127863597 /nfs/dbraw/zinc/86/35/97/1127863597.db2.gz IOBALWSBKCMGJA-RDTXWAMCSA-N 0 1 281.403 3.622 20 0 CHADMN Cc1csc([C@H](C)NCCOc2c(C)cccc2C)n1 ZINC000411519303 1127863982 /nfs/dbraw/zinc/86/39/82/1127863982.db2.gz LWGUYVDWYWGVRY-AWEZNQCLSA-N 0 1 290.432 3.798 20 0 CHADMN CCCN(C)CC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000063761451 1127865510 /nfs/dbraw/zinc/86/55/10/1127865510.db2.gz ZIMCRIAZDCKZBF-UHFFFAOYSA-N 0 1 296.370 3.866 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@@H](c3ccco3)C2)n1 ZINC000374003660 1127869624 /nfs/dbraw/zinc/86/96/24/1127869624.db2.gz RPFCBTFPIMRCAE-QWHCGFSZSA-N 0 1 289.379 3.556 20 0 CHADMN CCc1cnc(C[N@H+]2CCC[C@H](C(C)(C)C)CC2)o1 ZINC000608497800 1127869742 /nfs/dbraw/zinc/86/97/42/1127869742.db2.gz DAQTVCCPTWWTQS-ZDUSSCGKSA-N 0 1 264.413 3.885 20 0 CHADMN CCc1cnc(CN2CCC[C@H](C(C)(C)C)CC2)o1 ZINC000608497800 1127869747 /nfs/dbraw/zinc/86/97/47/1127869747.db2.gz DAQTVCCPTWWTQS-ZDUSSCGKSA-N 0 1 264.413 3.885 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@](C)(c3ccccc3)CC2)[nH]1 ZINC000411715514 1127869903 /nfs/dbraw/zinc/86/99/03/1127869903.db2.gz CGDMSQHSDLBTOT-KSSFIOAISA-N 0 1 298.434 3.618 20 0 CHADMN Cc1sc(NC(=O)CN2CCC(C)(C)CC2)c(C)c1C ZINC000608494173 1127870781 /nfs/dbraw/zinc/87/07/81/1127870781.db2.gz AJWBZEMWJHAXMU-UHFFFAOYSA-N 0 1 294.464 3.734 20 0 CHADMN Fc1cccc(-n2ccc(C[N@H+]3CCC[C@H]4CCC[C@@H]43)n2)c1 ZINC000608499258 1127871202 /nfs/dbraw/zinc/87/12/02/1127871202.db2.gz UAUMUYVKOQGZPM-KDOFPFPSSA-N 0 1 299.393 3.776 20 0 CHADMN Fc1cccc(-n2ccc(CN3CCC[C@H]4CCC[C@@H]43)n2)c1 ZINC000608499258 1127871208 /nfs/dbraw/zinc/87/12/08/1127871208.db2.gz UAUMUYVKOQGZPM-KDOFPFPSSA-N 0 1 299.393 3.776 20 0 CHADMN c1c(CN2CCC(C3CCCC3)CC2)nc2ccccn12 ZINC000608501814 1127872661 /nfs/dbraw/zinc/87/26/61/1127872661.db2.gz JYQGOVUGLDFYOW-UHFFFAOYSA-N 0 1 283.419 3.737 20 0 CHADMN Cc1ccsc1C[N@H+](C)[C@@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000516657138 1127882436 /nfs/dbraw/zinc/88/24/36/1127882436.db2.gz VLAUVFLFNTXCNP-JTQLQIEISA-N 0 1 293.388 3.849 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N2C3CCC2CC3)n1 ZINC000608745358 1127884787 /nfs/dbraw/zinc/88/47/87/1127884787.db2.gz JHZKXCGNFUEEAE-HSBZDZAISA-N 0 1 283.375 3.733 20 0 CHADMN C[C@H]1CCc2ccccc2N1C(=O)c1cccc2c[nH]nc21 ZINC000608761031 1127886747 /nfs/dbraw/zinc/88/67/47/1127886747.db2.gz GYVDHPXASYJRHI-LBPRGKRZSA-N 0 1 291.354 3.544 20 0 CHADMN COC1([C@@H](C)NCc2c(F)cccc2Cl)CCC1 ZINC000412022220 1127888781 /nfs/dbraw/zinc/88/87/81/1127888781.db2.gz RGYDUAXKOOYXNL-SNVBAGLBSA-N 0 1 271.763 3.526 20 0 CHADMN C[C@@H]1CC(C)(C)CN1Cc1cncc(C(F)(F)F)c1 ZINC000412046440 1127891875 /nfs/dbraw/zinc/89/18/75/1127891875.db2.gz RGMQBDRZHAUHHN-SNVBAGLBSA-N 0 1 272.314 3.721 20 0 CHADMN CCCCc1noc([C@@H](C)N2CC(C)(C)C[C@H]2C)n1 ZINC000412048966 1127894466 /nfs/dbraw/zinc/89/44/66/1127894466.db2.gz VRIDILDVWJIIHN-VXGBXAGGSA-N 0 1 265.401 3.594 20 0 CHADMN Cc1ccc(C[C@H]2CCCN([C@@H](C)c3ncccn3)C2)cc1 ZINC000929424699 1127900548 /nfs/dbraw/zinc/90/05/48/1127900548.db2.gz NGPBICYKBIVWHP-FUHWJXTLSA-N 0 1 295.430 3.801 20 0 CHADMN Cc1nc(CN2CC[C@](C)(CCc3ccccc3)C2)co1 ZINC000659998895 1127913276 /nfs/dbraw/zinc/91/32/76/1127913276.db2.gz ZFVXKXIQOMXXJS-SFHVURJKSA-N 0 1 284.403 3.828 20 0 CHADMN CC1(C)CN(CCC(F)(F)F)Cc2ccccc21 ZINC000535382309 1127914413 /nfs/dbraw/zinc/91/44/13/1127914413.db2.gz YLUZICCDKSNJKD-UHFFFAOYSA-N 0 1 257.299 3.732 20 0 CHADMN OCC1(NCc2c(Cl)cccc2Cl)CCCCC1 ZINC000053096211 1127919448 /nfs/dbraw/zinc/91/94/48/1127919448.db2.gz RDLFVYCALNLDHZ-UHFFFAOYSA-N 0 1 288.218 3.778 20 0 CHADMN COCc1cnc(CN2CCC[C@@H](C(C)C)CC2)s1 ZINC000539405990 1127921873 /nfs/dbraw/zinc/92/18/73/1127921873.db2.gz VDWUYFSUSCKISA-CYBMUJFWSA-N 0 1 282.453 3.548 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C ZINC000412831650 1127929951 /nfs/dbraw/zinc/92/99/51/1127929951.db2.gz WMWKYRRGPKUCSM-STQMWFEESA-N 0 1 291.439 3.786 20 0 CHADMN CCN(C(=O)c1ccc(O)c(Cl)c1)C1CC(C)(C)C1 ZINC000412836717 1127930271 /nfs/dbraw/zinc/93/02/71/1127930271.db2.gz GLBXMLQEAWDJTM-UHFFFAOYSA-N 0 1 281.783 3.696 20 0 CHADMN Fc1cccc(F)c1[C@@H]1CCN(CCC(F)(F)F)C1 ZINC000375094184 1127930394 /nfs/dbraw/zinc/93/03/94/1127930394.db2.gz LCPPTPRDEFMURX-SECBINFHSA-N 0 1 279.252 3.707 20 0 CHADMN Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@@H](C3CC3)C2)s1 ZINC000375200753 1127933414 /nfs/dbraw/zinc/93/34/14/1127933414.db2.gz IYLHBZHJLVDJEB-SNVBAGLBSA-N 0 1 290.354 3.702 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CC[C@@H](C3CC3)C2)s1 ZINC000375200753 1127933418 /nfs/dbraw/zinc/93/34/18/1127933418.db2.gz IYLHBZHJLVDJEB-SNVBAGLBSA-N 0 1 290.354 3.702 20 0 CHADMN Cc1csc(NC2CCN(Cc3cccs3)CC2)n1 ZINC000375218722 1127934463 /nfs/dbraw/zinc/93/44/63/1127934463.db2.gz UILOFYRGDIAYNC-UHFFFAOYSA-N 0 1 293.461 3.590 20 0 CHADMN Cc1nc([C@H](C)SCc2cc(C)cc(C)c2)n[nH]1 ZINC000412994225 1127936619 /nfs/dbraw/zinc/93/66/19/1127936619.db2.gz ALOHEPBAQUDODG-NSHDSACASA-N 0 1 261.394 3.724 20 0 CHADMN COc1ccccc1[C@@H](C)S[C@H](C)c1n[nH]c(C)n1 ZINC000413002901 1127938145 /nfs/dbraw/zinc/93/81/45/1127938145.db2.gz VQQWQPQSVFMGDN-NXEZZACHSA-N 0 1 277.393 3.677 20 0 CHADMN COc1cc(CN2CC[C@H](C)[C@H](C)C2)cc(Cl)c1OC ZINC000539825741 1127940976 /nfs/dbraw/zinc/94/09/76/1127940976.db2.gz XAJIPZJKWMMJLU-NWDGAFQWSA-N 0 1 297.826 3.835 20 0 CHADMN COc1c(O)cccc1CN(Cc1ccccc1C)C1CC1 ZINC000539815084 1127942104 /nfs/dbraw/zinc/94/21/04/1127942104.db2.gz VSCQWCOOVQPJMN-UHFFFAOYSA-N 0 1 297.398 3.874 20 0 CHADMN CCCOc1c(C[N@H+]2CCC[C@@H]2C)cccc1OCC ZINC000539827855 1127945101 /nfs/dbraw/zinc/94/51/01/1127945101.db2.gz JSRBLGXRAQEYCL-AWEZNQCLSA-N 0 1 277.408 3.858 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)s1)[C@H](CCO)c1ccccc1 ZINC000539828227 1127945347 /nfs/dbraw/zinc/94/53/47/1127945347.db2.gz AALUXGSCFYGOPL-CQSZACIVSA-N 0 1 295.835 3.957 20 0 CHADMN CN(Cc1ccc(Cl)s1)[C@H](CCO)c1ccccc1 ZINC000539828227 1127945349 /nfs/dbraw/zinc/94/53/49/1127945349.db2.gz AALUXGSCFYGOPL-CQSZACIVSA-N 0 1 295.835 3.957 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](C)c2ccsc2)c(C)n1 ZINC000669850688 1127951725 /nfs/dbraw/zinc/95/17/25/1127951725.db2.gz FYNHPDGRTWXQNG-VHSXEESVSA-N 0 1 261.394 3.567 20 0 CHADMN CC(C)[C@H]1CCN(Cc2cc(F)c(F)c(F)c2)C1 ZINC000539910953 1127954207 /nfs/dbraw/zinc/95/42/07/1127954207.db2.gz JGBKEIDABDUIGY-NSHDSACASA-N 0 1 257.299 3.582 20 0 CHADMN COc1ccc(CN2CCC3(CCC3)CC2)c(Cl)c1O ZINC001233397528 1127957537 /nfs/dbraw/zinc/95/75/37/1127957537.db2.gz DCFUCGCPIJOAFI-UHFFFAOYSA-N 0 1 295.810 3.820 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N(C)CCc1ccccc1O ZINC000544187392 1127961569 /nfs/dbraw/zinc/96/15/69/1127961569.db2.gz XOGQLANIAMNQLF-LBPRGKRZSA-N 0 1 291.341 3.906 20 0 CHADMN CC(C)(C)[C@@H]1CCN(CC(=O)Nc2ccccc2Cl)C1 ZINC000544186635 1127962199 /nfs/dbraw/zinc/96/21/99/1127962199.db2.gz AVDZZFRNBFBANT-GFCCVEGCSA-N 0 1 294.826 3.647 20 0 CHADMN COc1ccsc1CN(C)CCOc1ccccc1C ZINC000506126628 1127971666 /nfs/dbraw/zinc/97/16/66/1127971666.db2.gz VADJPTCTSCJNOW-UHFFFAOYSA-N 0 1 291.416 3.576 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CCCc2ccccc2C1 ZINC000929601054 1127975204 /nfs/dbraw/zinc/97/52/04/1127975204.db2.gz KKPBZSYMJNTERX-ZDUSSCGKSA-N 0 1 270.351 3.730 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccc(C)cc1)c1ccn(C)n1 ZINC000544579406 1127977304 /nfs/dbraw/zinc/97/73/04/1127977304.db2.gz QZMGCJMYSKWEDF-DZGCQCFKSA-N 0 1 257.381 3.530 20 0 CHADMN CC[C@@H](NCc1noc(-c2ccccc2C)n1)C(C)(C)C ZINC000540590640 1127985379 /nfs/dbraw/zinc/98/53/79/1127985379.db2.gz LKABPPFUVDCUGK-CQSZACIVSA-N 0 1 287.407 3.959 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2c(C)cccc2C)n1 ZINC000544837730 1127985971 /nfs/dbraw/zinc/98/59/71/1127985971.db2.gz GLQCZOWEEFJUQW-OAHLLOKOSA-N 0 1 284.403 3.948 20 0 CHADMN CCC(CC)n1ccc(CN(CC)CCC2CC2)n1 ZINC000544896187 1127988657 /nfs/dbraw/zinc/98/86/57/1127988657.db2.gz NMLHHAYTJPRGFE-UHFFFAOYSA-N 0 1 263.429 3.866 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@@H]1COc3ccc(F)cc31)CC2 ZINC000468037217 1127988775 /nfs/dbraw/zinc/98/87/75/1127988775.db2.gz HXPWPHYWFNAWRT-DLBZAZTESA-N 0 1 299.345 3.545 20 0 CHADMN Cc1cc([C@H](C)N2CCC(Cc3ccccc3)CC2)no1 ZINC000468081318 1127991137 /nfs/dbraw/zinc/99/11/37/1127991137.db2.gz AOLQZOVIDAJSMD-HNNXBMFYSA-N 0 1 284.403 3.999 20 0 CHADMN Clc1cccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)c1 ZINC000545022428 1127996252 /nfs/dbraw/zinc/99/62/52/1127996252.db2.gz WEIUWBJELKJGHC-UHFFFAOYSA-N 0 1 296.717 3.933 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)NCc1ccc(CO)cc1 ZINC000540911759 1128000060 /nfs/dbraw/zinc/00/00/60/1128000060.db2.gz RGHZLZRGYIHXDV-HNNXBMFYSA-N 0 1 299.414 3.817 20 0 CHADMN CC(C)(C)c1ccc(CN2CCOCC3(CC3)C2)s1 ZINC000541241253 1128013430 /nfs/dbraw/zinc/01/34/30/1128013430.db2.gz FOPPJZHNTUSGOI-UHFFFAOYSA-N 0 1 279.449 3.658 20 0 CHADMN CCc1ccccc1NC(=O)CN1C[C@H](C)CC(C)(C)C1 ZINC000541316651 1128017294 /nfs/dbraw/zinc/01/72/94/1128017294.db2.gz YFJBFDLMRJLCQH-CQSZACIVSA-N 0 1 288.435 3.556 20 0 CHADMN Cc1nccc(N2CC[C@@H](Nc3ccccc3)C2)c1Cl ZINC000509028547 1128024530 /nfs/dbraw/zinc/02/45/30/1128024530.db2.gz CQZFUMNOLOGICR-CQSZACIVSA-N 0 1 287.794 3.734 20 0 CHADMN Cc1cccc([C@@H]2CCN(Cc3nc(C(C)(C)C)no3)C2)c1 ZINC000541393173 1128022081 /nfs/dbraw/zinc/02/20/81/1128022081.db2.gz NARMBSCCLCQQIP-OAHLLOKOSA-N 0 1 299.418 3.665 20 0 CHADMN CC(C)=C(F)c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000545723980 1128030507 /nfs/dbraw/zinc/03/05/07/1128030507.db2.gz NISRASKOJXNJCF-UHFFFAOYSA-N 0 1 272.283 3.642 20 0 CHADMN CC(C)C[C@H](C)n1cc(CN(C(C)C)C(C)C)nn1 ZINC000900548938 1128032914 /nfs/dbraw/zinc/03/29/14/1128032914.db2.gz CARGRGYRDRVSGG-AWEZNQCLSA-N 0 1 266.433 3.504 20 0 CHADMN Cc1cccc2nc(CNC(=O)[C@@H]3CCCCC3(C)C)[nH]c21 ZINC000469032492 1128033378 /nfs/dbraw/zinc/03/33/78/1128033378.db2.gz PDJYQLWRTBJKSE-ZDUSSCGKSA-N 0 1 299.418 3.704 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1csc(N(C)C2CC2)n1 ZINC000541695180 1128034036 /nfs/dbraw/zinc/03/40/36/1128034036.db2.gz USHOXEVGKMKBEK-OAHLLOKOSA-N 0 1 293.480 3.896 20 0 CHADMN C[C@H]1CN(CCc2ccccc2F)C[C@@H](c2ccccc2)O1 ZINC000469185003 1128037647 /nfs/dbraw/zinc/03/76/47/1128037647.db2.gz XQDDRUHIMPDHGF-KXBFYZLASA-N 0 1 299.389 3.830 20 0 CHADMN C[C@@H](CC1CCCCC1)CN(C)Cc1ccon1 ZINC000541773381 1128038444 /nfs/dbraw/zinc/03/84/44/1128038444.db2.gz AVIMAFMOOJHPDR-ZDUSSCGKSA-N 0 1 250.386 3.713 20 0 CHADMN CCCCO[C@H]1C[C@H](N(C)Cc2ccc(F)cn2)C1(C)C ZINC000469716322 1128050147 /nfs/dbraw/zinc/05/01/47/1128050147.db2.gz HOLJCAYJGVJGOA-HOTGVXAUSA-N 0 1 294.414 3.636 20 0 CHADMN Fc1ccc(CN2CCC[C@H]2/C=C\c2ccccc2)nc1 ZINC000469759596 1128052817 /nfs/dbraw/zinc/05/28/17/1128052817.db2.gz AUIFCQQGFLESAO-YFWYWMRJSA-N 0 1 282.362 3.899 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CC[C@H](C)C3)n[nH]2)cc1 ZINC000469942978 1128058353 /nfs/dbraw/zinc/05/83/53/1128058353.db2.gz DPFWJSIQLFJOHI-DZGCQCFKSA-N 0 1 297.402 3.646 20 0 CHADMN Cc1cccc([C@@H]2CCN(Cc3ccn(C(C)C)n3)C2)c1 ZINC000542318663 1128062831 /nfs/dbraw/zinc/06/28/31/1128062831.db2.gz DPAZVVAJEIIJMH-QGZVFWFLSA-N 0 1 283.419 3.762 20 0 CHADMN Cc1ccc(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)cc1C ZINC000470347180 1128069041 /nfs/dbraw/zinc/06/90/41/1128069041.db2.gz UIQNNOUJKCTDAG-UHFFFAOYSA-N 0 1 299.418 3.596 20 0 CHADMN CCCCN(CCCC)C(=O)CN[C@H](C)c1ccsc1 ZINC000669938509 1128077065 /nfs/dbraw/zinc/07/70/65/1128077065.db2.gz QEKGEMOMVYRSPN-CQSZACIVSA-N 0 1 296.480 3.828 20 0 CHADMN CCCCCC[C@@H](C)CC(=O)N1CCN(C)CC1(C)C ZINC001127254788 1128073739 /nfs/dbraw/zinc/07/37/39/1128073739.db2.gz CLFGRNHPTWRSIC-OAHLLOKOSA-N 0 1 282.472 3.536 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1cnc2ccccn12 ZINC000172716409 1128074714 /nfs/dbraw/zinc/07/47/14/1128074714.db2.gz PUUJHMUDIIEFFW-CQSZACIVSA-N 0 1 265.360 3.527 20 0 CHADMN CCN(C(=O)CN[C@@H](C)c1ccsc1)C1CCCCC1 ZINC000669937096 1128075869 /nfs/dbraw/zinc/07/58/69/1128075869.db2.gz HANNQLBEHNVZNX-ZDUSSCGKSA-N 0 1 294.464 3.580 20 0 CHADMN CC(C)(C)OCCCN1CC[C@](F)(c2ccccc2)C1 ZINC000669942686 1128081461 /nfs/dbraw/zinc/08/14/61/1128081461.db2.gz ATSMJMPIAVRDHH-QGZVFWFLSA-N 0 1 279.399 3.762 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(F)cc1 ZINC000470941461 1128082763 /nfs/dbraw/zinc/08/27/63/1128082763.db2.gz WDXLVBFBXQEYQC-SKDRFNHKSA-N 0 1 261.262 3.598 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(F)cc1 ZINC000470941459 1128082969 /nfs/dbraw/zinc/08/29/69/1128082969.db2.gz WDXLVBFBXQEYQC-CABZTGNLSA-N 0 1 261.262 3.598 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCN1CCc1cccc(F)c1F ZINC000470943588 1128083090 /nfs/dbraw/zinc/08/30/90/1128083090.db2.gz DGPHZKRGRMVEOZ-MWLCHTKSSA-N 0 1 293.279 3.780 20 0 CHADMN O=C(OC1CCCC1)c1cccc2nc(C(F)F)[nH]c21 ZINC000924080266 1128089787 /nfs/dbraw/zinc/08/97/87/1128089787.db2.gz OEFSPRGXNPTNBG-UHFFFAOYSA-N 0 1 280.274 3.600 20 0 CHADMN C[C@@H](NCc1ccc(F)cc1)c1cnn(C2CCC2)c1 ZINC000924526873 1128101248 /nfs/dbraw/zinc/10/12/48/1128101248.db2.gz ZNQLFAPLPBFMKH-GFCCVEGCSA-N 0 1 273.355 3.598 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)N3CCC[C@@H]3C)n2)cc1F ZINC000174416092 1128101893 /nfs/dbraw/zinc/10/18/93/1128101893.db2.gz KVTLWIXXKFSYBM-RYUDHWBXSA-N 0 1 289.354 3.729 20 0 CHADMN C[C@H]1CCCN1Cc1csc(Nc2ccccc2)n1 ZINC000174419617 1128101901 /nfs/dbraw/zinc/10/19/01/1128101901.db2.gz PHXQDRJIYKCGFY-LBPRGKRZSA-N 0 1 273.405 3.871 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn(C)cn1)c1ccc2ccccc2c1 ZINC000924542161 1128102857 /nfs/dbraw/zinc/10/28/57/1128102857.db2.gz QKCISYBABSDMKN-KGLIPLIRSA-N 0 1 279.387 3.985 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)c1cnnn1C ZINC000924541339 1128102885 /nfs/dbraw/zinc/10/28/85/1128102885.db2.gz MFPIBDJFBJOONC-DTWKUNHWSA-N 0 1 299.205 3.534 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3c2nccc3Cl)cc1 ZINC000924549667 1128104642 /nfs/dbraw/zinc/10/46/42/1128104642.db2.gz XHEDXUMXRDXWSH-HNNXBMFYSA-N 0 1 272.779 3.821 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnnc1)c1ccc(Cl)s1 ZINC000924610030 1128107255 /nfs/dbraw/zinc/10/72/55/1128107255.db2.gz OTCMGYLHTXLSCE-DTWKUNHWSA-N 0 1 267.785 3.603 20 0 CHADMN C[C@H](Cc1ccco1)N[C@H]1COCc2cccc(Cl)c21 ZINC000924608575 1128107444 /nfs/dbraw/zinc/10/74/44/1128107444.db2.gz GIGYMQCMHSSZRT-ABAIWWIYSA-N 0 1 291.778 3.725 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)N[C@@H](C)c2ccnnc2)c1 ZINC000924680589 1128110108 /nfs/dbraw/zinc/11/01/08/1128110108.db2.gz GAANVRIBNYHJLL-KGLIPLIRSA-N 0 1 285.391 3.676 20 0 CHADMN CCOc1cccc(CN[C@@H](C)c2ccnn2C2CCC2)c1 ZINC000924688391 1128110283 /nfs/dbraw/zinc/11/02/83/1128110283.db2.gz AKGBXTZWXXEAAU-AWEZNQCLSA-N 0 1 299.418 3.858 20 0 CHADMN c1csc(CNC2CC(Sc3ccccc3)C2)n1 ZINC000924729363 1128111826 /nfs/dbraw/zinc/11/18/26/1128111826.db2.gz MPZXBGNYQHNRSB-UHFFFAOYSA-N 0 1 276.430 3.556 20 0 CHADMN COc1ccnc([C@H](C)N[C@H](C)c2ccc(C)s2)c1 ZINC000924768330 1128112201 /nfs/dbraw/zinc/11/22/01/1128112201.db2.gz XZDMUUZVUSDDHR-NWDGAFQWSA-N 0 1 276.405 3.872 20 0 CHADMN COc1ccnc([C@@H](C)N[C@@H](C)c2ccc(C)s2)c1 ZINC000924768323 1128112342 /nfs/dbraw/zinc/11/23/42/1128112342.db2.gz XZDMUUZVUSDDHR-NEPJUHHUSA-N 0 1 276.405 3.872 20 0 CHADMN C[C@H](NCc1cc2c(s1)CCCC2)c1ccns1 ZINC000924837934 1128114244 /nfs/dbraw/zinc/11/42/44/1128114244.db2.gz AJQSYNXICVJCOX-JTQLQIEISA-N 0 1 278.446 3.934 20 0 CHADMN C[C@@H](N[C@H]1CCc2c1cccc2F)c1cccc2c1OCO2 ZINC000924844579 1128114772 /nfs/dbraw/zinc/11/47/72/1128114772.db2.gz VUFQMNWDLXMMMP-BZNIZROVSA-N 0 1 299.345 3.893 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2NCCc1ccccc1Cl ZINC000924854534 1128115381 /nfs/dbraw/zinc/11/53/81/1128115381.db2.gz UQRPACJGBWYGBJ-AWEZNQCLSA-N 0 1 290.794 3.846 20 0 CHADMN C[C@@H](N[C@@H]1CCc2c1cccc2O)c1cnn(C2CCC2)c1 ZINC000924968517 1128118022 /nfs/dbraw/zinc/11/80/22/1128118022.db2.gz ZUFXOOGNDBCSRH-SJKOYZFVSA-N 0 1 297.402 3.652 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@H](C)c2cc(O)cc(F)c2)cn1 ZINC000925048266 1128120071 /nfs/dbraw/zinc/12/00/71/1128120071.db2.gz BMMBVBWOYWMLKE-VXGBXAGGSA-N 0 1 291.370 3.721 20 0 CHADMN C[C@@H]1CCN1C(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000914155534 1128128538 /nfs/dbraw/zinc/12/85/38/1128128538.db2.gz DSWCARWNALNQKS-SNVBAGLBSA-N 0 1 297.383 3.526 20 0 CHADMN CC(C)[C@@H](NC1CC2(C1)CCCC2)c1nc(C2CC2)no1 ZINC000925414605 1128129210 /nfs/dbraw/zinc/12/92/10/1128129210.db2.gz XZQIPWVVPYJRKL-CQSZACIVSA-N 0 1 289.423 3.957 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000925465841 1128130040 /nfs/dbraw/zinc/13/00/40/1128130040.db2.gz JBVSMCBKWUPOOU-OWCLPIDISA-N 0 1 282.387 3.581 20 0 CHADMN COc1ccnc([C@H](C)N[C@H](C)c2ccc(F)c(C)c2)c1 ZINC000925505567 1128130514 /nfs/dbraw/zinc/13/05/14/1128130514.db2.gz QBYABVHVRFOTRS-OLZOCXBDSA-N 0 1 288.366 3.950 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c(Cl)ccnc21)c1ccc[nH]1 ZINC000925643337 1128135331 /nfs/dbraw/zinc/13/53/31/1128135331.db2.gz FPPJCTKMNBKFPL-IINYFYTJSA-N 0 1 275.783 3.791 20 0 CHADMN Cc1cncc(CN[C@H]2CCCc3c(Cl)ccnc32)c1 ZINC000925644990 1128135344 /nfs/dbraw/zinc/13/53/44/1128135344.db2.gz NGPMYQJNYPYELN-HNNXBMFYSA-N 0 1 287.794 3.606 20 0 CHADMN CS[C@H](C)CN[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000925602897 1128133439 /nfs/dbraw/zinc/13/34/39/1128133439.db2.gz YOOUJCHQTUQNIM-PBHICJAKSA-N 0 1 286.444 3.821 20 0 CHADMN CC(=O)[C@H](N[C@@H](C)Cc1cccc(F)c1)c1ccccc1 ZINC001168456325 1128134219 /nfs/dbraw/zinc/13/42/19/1128134219.db2.gz PHHYVRRINFNURB-UGSOOPFHSA-N 0 1 285.362 3.677 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@@H](C)c1ccns1 ZINC000925684887 1128136896 /nfs/dbraw/zinc/13/68/96/1128136896.db2.gz JKZZJGLDQUYRTP-QWRGUYRKSA-N 0 1 261.394 3.512 20 0 CHADMN COc1cc([C@H](C)N[C@H]2c3cc(C)ccc3C[C@@H]2C)on1 ZINC000926115918 1128156233 /nfs/dbraw/zinc/15/62/33/1128156233.db2.gz JSLFXZYUFLCGHV-NVGCLXPQSA-N 0 1 286.375 3.576 20 0 CHADMN Cc1cc(Cl)ccc1C[N@@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000232783100 1128158166 /nfs/dbraw/zinc/15/81/66/1128158166.db2.gz RVGWLFYGYSTIOI-MRXNPFEDSA-N 0 1 295.810 3.581 20 0 CHADMN CC(C)=CCC[N@@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC001307635235 1128159599 /nfs/dbraw/zinc/15/95/99/1128159599.db2.gz LBRPUIRSJHPQJH-CABCVRRESA-N 0 1 296.455 3.672 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccco1)c1cc2ccccc2[nH]1 ZINC000926198187 1128159816 /nfs/dbraw/zinc/15/98/16/1128159816.db2.gz UDBNEYGNGUCEPR-DOMZBBRYSA-N 0 1 284.359 3.535 20 0 CHADMN Cc1ccc(SC[C@H](C)N[C@H](C)c2cn(C)cn2)cc1 ZINC000926203884 1128160393 /nfs/dbraw/zinc/16/03/93/1128160393.db2.gz ZQPKBOIZYQFSHB-UONOGXRCSA-N 0 1 289.448 3.560 20 0 CHADMN CCc1nocc1CNC1(c2ccc(F)cc2)CCC1 ZINC000660057504 1128162487 /nfs/dbraw/zinc/16/24/87/1128162487.db2.gz XVFIADQWDFJTMD-UHFFFAOYSA-N 0 1 274.339 3.545 20 0 CHADMN Cc1ccc([C@@H](NC2CC(F)(F)C2)c2cccnc2)cc1 ZINC000926282675 1128165236 /nfs/dbraw/zinc/16/52/36/1128165236.db2.gz FVBWUVVBGQYWPK-MRXNPFEDSA-N 0 1 288.341 3.867 20 0 CHADMN C[C@@H](N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ncco1 ZINC000926342070 1128167751 /nfs/dbraw/zinc/16/77/51/1128167751.db2.gz IWVHJANQIDMBRE-MPKXVKKWSA-N 0 1 276.767 3.925 20 0 CHADMN Cc1nonc1[C@H](C)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000926344008 1128168225 /nfs/dbraw/zinc/16/82/25/1128168225.db2.gz VLKSHVIYYYUPMY-WFBYXXMGSA-N 0 1 291.782 3.628 20 0 CHADMN C[N@@H+](CCOc1ccccc1)Cc1cc(Cl)cs1 ZINC000494353650 1128169759 /nfs/dbraw/zinc/16/97/59/1128169759.db2.gz XRMCRUCXWAYDLH-UHFFFAOYSA-N 0 1 281.808 3.912 20 0 CHADMN CN(CCOc1ccccc1)Cc1cc(Cl)cs1 ZINC000494353650 1128169761 /nfs/dbraw/zinc/16/97/61/1128169761.db2.gz XRMCRUCXWAYDLH-UHFFFAOYSA-N 0 1 281.808 3.912 20 0 CHADMN COC[C@@H](N[C@H](C)c1cnn(C2CCC2)c1)c1ccccc1 ZINC000925409954 1128171057 /nfs/dbraw/zinc/17/10/57/1128171057.db2.gz YQGDKVBBAVIXAM-RDTXWAMCSA-N 0 1 299.418 3.646 20 0 CHADMN Cc1ccc(C2(CN[C@@H](C)c3ncco3)CC2)c(C)c1 ZINC000926501569 1128176328 /nfs/dbraw/zinc/17/63/28/1128176328.db2.gz KAVLFMIKJVGDOO-AWEZNQCLSA-N 0 1 270.376 3.674 20 0 CHADMN CC(C)=C1CC[C@@H](C)C[C@@H]1NCc1nnc(C(C)C)[nH]1 ZINC000926506609 1128177006 /nfs/dbraw/zinc/17/70/06/1128177006.db2.gz QWMYFTREOYUUJK-OCCSQVGLSA-N 0 1 276.428 3.543 20 0 CHADMN CCCOc1ccc([C@@H](C)NCc2cncc(F)c2)cc1 ZINC000494551238 1128178833 /nfs/dbraw/zinc/17/88/33/1128178833.db2.gz XYDRPHQOHYDEOV-CYBMUJFWSA-N 0 1 288.366 3.860 20 0 CHADMN CCCc1ncc(CN[C@@H]2CCc3cccc(C)c32)o1 ZINC000926537631 1128178924 /nfs/dbraw/zinc/17/89/24/1128178924.db2.gz NHMYOZCAIJTQLN-OAHLLOKOSA-N 0 1 270.376 3.713 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H]1CCc2cccc(C)c21 ZINC000926530701 1128179102 /nfs/dbraw/zinc/17/91/02/1128179102.db2.gz CBJALVJHAQLVDJ-UKRRQHHQSA-N 0 1 269.392 3.550 20 0 CHADMN CCN(CCC(F)(F)F)C[C@H](OC)c1ccccc1 ZINC000670073783 1128179667 /nfs/dbraw/zinc/17/96/67/1128179667.db2.gz KVDAVRACTJMBGV-ZDUSSCGKSA-N 0 1 275.314 3.648 20 0 CHADMN C[C@H](c1ccccn1)N1C[C@H](C)OC2(CCCCC2)C1 ZINC000653903686 1128198212 /nfs/dbraw/zinc/19/82/12/1128198212.db2.gz GYBBZKMLJIHNBX-LSDHHAIUSA-N 0 1 274.408 3.566 20 0 CHADMN C[C@@H](NC[C@@H]1[C@@H](c2ccccc2)C1(C)C)c1ncco1 ZINC000926567370 1128181222 /nfs/dbraw/zinc/18/12/22/1128181222.db2.gz QEFKADBYZJGJCP-BPLDGKMQSA-N 0 1 270.376 3.765 20 0 CHADMN COc1ccnc([C@@H](C)NC2(c3ccccc3C)CC2)c1 ZINC000926625730 1128184114 /nfs/dbraw/zinc/18/41/14/1128184114.db2.gz DQEVUUISQPTWTJ-CQSZACIVSA-N 0 1 282.387 3.739 20 0 CHADMN CCC[C@@H](N[C@@H]1C=CCC1)c1ncccc1Cl ZINC000926689949 1128187923 /nfs/dbraw/zinc/18/79/23/1128187923.db2.gz MKZXSUBCGXHHBB-DGCLKSJQSA-N 0 1 250.773 3.884 20 0 CHADMN O[C@@H]1C[C@H](N[C@H](c2ccccn2)C2CCC2)c2ccccc21 ZINC000926699717 1128188473 /nfs/dbraw/zinc/18/84/73/1128188473.db2.gz LFVRNDXXFQGMMP-OTWHNJEPSA-N 0 1 294.398 3.691 20 0 CHADMN C[C@@H](N[C@@H]1COC2(CCC2)C1)c1cc(-c2ccccc2)no1 ZINC000926696067 1128188764 /nfs/dbraw/zinc/18/87/64/1128188764.db2.gz GMWGLWJMOBMUCA-HIFRSBDPSA-N 0 1 298.386 3.704 20 0 CHADMN COc1ncccc1CN1CCCCC[C@@H]1c1ccco1 ZINC000193353174 1128190536 /nfs/dbraw/zinc/19/05/36/1128190536.db2.gz YOPOZYWISYSDNB-OAHLLOKOSA-N 0 1 286.375 3.801 20 0 CHADMN CCC(F)(F)C(C)(C)CN[C@@H](C)c1cn(C(C)C)nn1 ZINC000926755829 1128192302 /nfs/dbraw/zinc/19/23/02/1128192302.db2.gz ATMJFSWECYUGKT-NSHDSACASA-N 0 1 288.386 3.581 20 0 CHADMN CCC[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1ncccc1Cl ZINC000926768735 1128193037 /nfs/dbraw/zinc/19/30/37/1128193037.db2.gz WOSHFXPGEAKNAV-SNPRPXQTSA-N 0 1 294.826 3.733 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2NCC(C)(C)C(C)(F)F ZINC000926800801 1128195463 /nfs/dbraw/zinc/19/54/63/1128195463.db2.gz HQSLTTNBHUMGBI-SNVBAGLBSA-N 0 1 272.339 3.631 20 0 CHADMN Fc1cc2c(c(F)c1)CC[C@H]2NCc1ccccc1F ZINC000154508166 1128244497 /nfs/dbraw/zinc/24/44/97/1128244497.db2.gz MVCYCADSUXIHPZ-MRXNPFEDSA-N 0 1 277.289 3.881 20 0 CHADMN Cc1ccc([C@H](C)Nc2ccc(CN(C)C)c(F)c2)o1 ZINC000777702624 1128246544 /nfs/dbraw/zinc/24/65/44/1128246544.db2.gz ZFIKACVSPLKPMD-LBPRGKRZSA-N 0 1 276.355 3.962 20 0 CHADMN CC[C@@H]1CCC[C@@H]1Nc1ccc(CN(C)C)c(F)c1 ZINC000777702826 1128246626 /nfs/dbraw/zinc/24/66/26/1128246626.db2.gz UKMBYHSWOZJQPW-WBMJQRKESA-N 0 1 264.388 3.878 20 0 CHADMN Cc1noc(C(C)C)c1NC(=O)c1cc(Cl)ccc1O ZINC000928789691 1128250043 /nfs/dbraw/zinc/25/00/43/1128250043.db2.gz OYAJCEHZYWYHRJ-UHFFFAOYSA-N 0 1 294.738 3.718 20 0 CHADMN FC1(F)CC[C@@H](c2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000350077112 1128258592 /nfs/dbraw/zinc/25/85/92/1128258592.db2.gz OTGILRLDLWISSJ-SECBINFHSA-N 0 1 290.273 3.516 20 0 CHADMN CCc1ncc(CN(C)[C@@H]2CCCc3ccccc32)o1 ZINC000929128436 1128259283 /nfs/dbraw/zinc/25/92/83/1128259283.db2.gz BDHPRFCGJFVSTL-MRXNPFEDSA-N 0 1 270.376 3.746 20 0 CHADMN C[C@H](c1ccc(F)nc1)N(C)Cc1ccc(F)cc1 ZINC000929136575 1128260185 /nfs/dbraw/zinc/26/01/85/1128260185.db2.gz OSCRTOREPHZFME-LLVKDONJSA-N 0 1 262.303 3.553 20 0 CHADMN Cc1cc(C)nc(CN(Cc2cccs2)C2CC2)c1 ZINC000929170235 1128261851 /nfs/dbraw/zinc/26/18/51/1128261851.db2.gz XXKCFOUFUZPISF-UHFFFAOYSA-N 0 1 272.417 3.925 20 0 CHADMN Cc1nc(C)c(CN(C)[C@@H](C)c2ccc(Cl)cc2)[nH]1 ZINC000929173127 1128261885 /nfs/dbraw/zinc/26/18/85/1128261885.db2.gz XYJJDBFZZDXDTD-NSHDSACASA-N 0 1 277.799 3.873 20 0 CHADMN FC(F)(F)c1ccc(CCC[N@H+]2CCOCC23CC3)cc1 ZINC000670106542 1128202046 /nfs/dbraw/zinc/20/20/46/1128202046.db2.gz USXLALYFDNRHJZ-UHFFFAOYSA-N 0 1 299.336 3.503 20 0 CHADMN FC(F)(F)c1ccc(CCCN2CCOCC23CC3)cc1 ZINC000670106542 1128202048 /nfs/dbraw/zinc/20/20/48/1128202048.db2.gz USXLALYFDNRHJZ-UHFFFAOYSA-N 0 1 299.336 3.503 20 0 CHADMN C[C@@H](NCC1(c2cccc(F)c2)CCC1)c1ncco1 ZINC000926922067 1128203501 /nfs/dbraw/zinc/20/35/01/1128203501.db2.gz GSEFAVUITRKEFO-GFCCVEGCSA-N 0 1 274.339 3.586 20 0 CHADMN CCc1ccc2ccccc2c1CN[C@@H]1CCn2ccnc21 ZINC000926939488 1128204000 /nfs/dbraw/zinc/20/40/00/1128204000.db2.gz VCZBGEJTJKAIPC-GOSISDBHSA-N 0 1 291.398 3.833 20 0 CHADMN Cc1nc([C@H](C)NC[C@H]2CCCC3(CCC3)O2)cs1 ZINC000927013400 1128208280 /nfs/dbraw/zinc/20/82/80/1128208280.db2.gz WVVKDSJWAQTBQL-WCQYABFASA-N 0 1 280.437 3.594 20 0 CHADMN COc1cccc2c1CN([C@@H](C)Cc1cccc(F)c1)CC2 ZINC001168473649 1128208354 /nfs/dbraw/zinc/20/83/54/1128208354.db2.gz GGAQLVBVAUBLPR-AWEZNQCLSA-N 0 1 299.389 3.824 20 0 CHADMN CCC[C@H](O)CCN[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000927025277 1128209072 /nfs/dbraw/zinc/20/90/72/1128209072.db2.gz XZUQGIPCJQZTOX-HKUYNNGSSA-N 0 1 298.430 3.620 20 0 CHADMN CC(C)(C)CCN[C@@H](Cc1ccccc1)c1ncco1 ZINC000653911277 1128210728 /nfs/dbraw/zinc/21/07/28/1128210728.db2.gz BLWSWTVYRZRNPP-HNNXBMFYSA-N 0 1 272.392 3.984 20 0 CHADMN CCn1nc(C)c([C@@H](C)N[C@@H]2CCCc3cccnc32)c1C ZINC000927059669 1128212335 /nfs/dbraw/zinc/21/23/35/1128212335.db2.gz KLRNKVPDIZUSJP-MLGOLLRUSA-N 0 1 298.434 3.643 20 0 CHADMN C[C@H](N[C@@H]1CCCc2cccnc21)c1ccnn1C1CCC1 ZINC000927061200 1128212581 /nfs/dbraw/zinc/21/25/81/1128212581.db2.gz CKAHQFXCGXKXGZ-XJKSGUPXSA-N 0 1 296.418 3.731 20 0 CHADMN C[C@H](N[C@H]1CCCc2cccnc21)c1ccc(Cl)nc1 ZINC000927062850 1128212985 /nfs/dbraw/zinc/21/29/85/1128212985.db2.gz OQTZXFOXRSDNJA-FZMZJTMJSA-N 0 1 287.794 3.858 20 0 CHADMN C(=C\c1ccncc1)\CN1CCOC2(C1)CCCCCC2 ZINC000494930329 1128214551 /nfs/dbraw/zinc/21/45/51/1128214551.db2.gz LREGUGVSQPBVPS-WAYWQWQTSA-N 0 1 286.419 3.520 20 0 CHADMN Cc1nc(C)c([C@H](C)N(C)C/C=C/c2ccncc2)s1 ZINC000494939203 1128215080 /nfs/dbraw/zinc/21/50/80/1128215080.db2.gz QNEXXZVNFRKQAW-GFUIURDCSA-N 0 1 287.432 3.861 20 0 CHADMN CC(C)C[C@@H](NCc1cc(C2CC2)nn1C)c1ccncc1 ZINC000927102449 1128217136 /nfs/dbraw/zinc/21/71/36/1128217136.db2.gz ZERMCOCCXKZCIA-QGZVFWFLSA-N 0 1 298.434 3.570 20 0 CHADMN CC(C)C[C@H](NCc1cc(C2CC2)nn1C)c1ccncc1 ZINC000927102448 1128217305 /nfs/dbraw/zinc/21/73/05/1128217305.db2.gz ZERMCOCCXKZCIA-KRWDZBQOSA-N 0 1 298.434 3.570 20 0 CHADMN CCC[C@H](NCc1cc(C2CC2)nn1C)c1ccsc1 ZINC000927102101 1128217640 /nfs/dbraw/zinc/21/76/40/1128217640.db2.gz QHHMNOASRVGENL-HNNXBMFYSA-N 0 1 289.448 3.990 20 0 CHADMN CCC[C@@H](NCc1cc(C2CC2)nn1C)c1ccsc1 ZINC000927102102 1128217683 /nfs/dbraw/zinc/21/76/83/1128217683.db2.gz QHHMNOASRVGENL-OAHLLOKOSA-N 0 1 289.448 3.990 20 0 CHADMN CC[C@H](NCc1cc(C2CC2)n(C)n1)c1cccc(C)c1 ZINC000927107164 1128217938 /nfs/dbraw/zinc/21/79/38/1128217938.db2.gz HOPPHNIQMTYTQV-KRWDZBQOSA-N 0 1 283.419 3.847 20 0 CHADMN Cc1ccc([C@@H](NCc2cc(C3CC3)nn2C)C2CCC2)o1 ZINC000927102607 1128218218 /nfs/dbraw/zinc/21/82/18/1128218218.db2.gz UJLQSLQNABDGSA-SFHVURJKSA-N 0 1 299.418 3.830 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cc(C3CC3)n(C)n1)CCC2 ZINC000927112337 1128218693 /nfs/dbraw/zinc/21/86/93/1128218693.db2.gz MMNVIQPHOCRANN-SFHVURJKSA-N 0 1 295.430 3.773 20 0 CHADMN CCc1onc(C)c1CN[C@H]1C[C@H](C)c2ccccc21 ZINC000927135378 1128221376 /nfs/dbraw/zinc/22/13/76/1128221376.db2.gz RWQWKMWRHMCOJT-ZBEGNZNMSA-N 0 1 270.376 3.884 20 0 CHADMN CCc1onc(C)c1CN[C@@H]1C[C@H](C)c2ccccc21 ZINC000927135377 1128221447 /nfs/dbraw/zinc/22/14/47/1128221447.db2.gz RWQWKMWRHMCOJT-MEDUHNTESA-N 0 1 270.376 3.884 20 0 CHADMN C[C@@H]1C[C@H](N[C@H](CO)c2c(Cl)cccc2Cl)[C@H]1C ZINC000494993226 1128221622 /nfs/dbraw/zinc/22/16/22/1128221622.db2.gz GHFXSMGIUHIEPO-FIDNZITISA-N 0 1 288.218 3.661 20 0 CHADMN CCc1onc(C)c1CN[C@@H](C)c1cc2c(s1)CCC2 ZINC000927141096 1128221989 /nfs/dbraw/zinc/22/19/89/1128221989.db2.gz URERHRKJWLJLTJ-NSHDSACASA-N 0 1 290.432 3.946 20 0 CHADMN CCCCCCN(C)Cc1nc(-c2nc(C)cs2)no1 ZINC000762074038 1128266780 /nfs/dbraw/zinc/26/67/80/1128266780.db2.gz OYUKTERMDDMDLZ-UHFFFAOYSA-N 0 1 294.424 3.514 20 0 CHADMN CCc1onc(C)c1CN[C@H](C)c1cc2c(s1)CCC2 ZINC000927141095 1128222325 /nfs/dbraw/zinc/22/23/25/1128222325.db2.gz URERHRKJWLJLTJ-LLVKDONJSA-N 0 1 290.432 3.946 20 0 CHADMN CCc1onc(C)c1CN[C@H](C)c1cccc(C)c1 ZINC000927142677 1128222447 /nfs/dbraw/zinc/22/24/47/1128222447.db2.gz VKOYFAWCXDAWBP-GFCCVEGCSA-N 0 1 258.365 3.705 20 0 CHADMN CCO[C@H]1CCN(Cc2cscc2Cl)C[C@@H]1C ZINC000648740967 1128224424 /nfs/dbraw/zinc/22/44/24/1128224424.db2.gz ABMGGCIGRSDPOK-GWCFXTLKSA-N 0 1 273.829 3.648 20 0 CHADMN Oc1ccc(C2=CCN(C/C=C\c3ccncc3)CC2)cc1 ZINC000495054787 1128226791 /nfs/dbraw/zinc/22/67/91/1128226791.db2.gz WVUGIWMUYDOEMO-UPHRSURJSA-N 0 1 292.382 3.590 20 0 CHADMN CCCC[C@@H](C(=O)NCc1ccc2nc[nH]c2c1)C(C)C ZINC000622085292 1129226626 /nfs/dbraw/zinc/22/66/26/1129226626.db2.gz UYLHQEMIRHAFGR-CQSZACIVSA-N 0 1 287.407 3.642 20 0 CHADMN c1ccc(COc2ncccc2CN2C3CCC2CC3)cc1 ZINC001238772171 1131242876 /nfs/dbraw/zinc/24/28/76/1131242876.db2.gz CWAVVQQHZLWBEC-UHFFFAOYSA-N 0 1 294.398 3.787 20 0 CHADMN C[C@@H](c1ccco1)N(C/C=C/c1ccncc1)C1CC1 ZINC000495165041 1128240125 /nfs/dbraw/zinc/24/01/25/1128240125.db2.gz QPQZHTXKOXUUQA-PMUGQKEBSA-N 0 1 268.360 3.913 20 0 CHADMN C[C@@H](OC(=O)[C@H](C)C1CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000176579489 1128243087 /nfs/dbraw/zinc/24/30/87/1128243087.db2.gz UWMPPFBFXFFOAY-RKDXNWHRSA-N 0 1 292.766 3.867 20 0 CHADMN CC[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1nncs1 ZINC000929413344 1128273648 /nfs/dbraw/zinc/27/36/48/1128273648.db2.gz XVNAHCYPTQSNBO-GJZGRUSLSA-N 0 1 287.432 3.696 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CC[C@H](c2ccccc2F)C1 ZINC000929597024 1128278706 /nfs/dbraw/zinc/27/87/06/1128278706.db2.gz CVGTYHIMCSPYJM-JSGCOSHPSA-N 0 1 288.341 3.910 20 0 CHADMN CC(C)c1ccc(CNc2nccn2C2CC2)cc1 ZINC000232780134 1128277979 /nfs/dbraw/zinc/27/79/79/1128277979.db2.gz OLFDCSRQWMSDIZ-UHFFFAOYSA-N 0 1 255.365 3.954 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CCCc2ccccc2C1 ZINC000929601049 1128278976 /nfs/dbraw/zinc/27/89/76/1128278976.db2.gz KKPBZSYMJNTERX-CYBMUJFWSA-N 0 1 270.351 3.730 20 0 CHADMN C[N@@H+](Cc1ccc(O)c(F)c1)C1CCC(F)(F)CC1 ZINC000699552372 1128279627 /nfs/dbraw/zinc/27/96/27/1128279627.db2.gz ZVMXSJMLUIFXHA-UHFFFAOYSA-N 0 1 273.298 3.541 20 0 CHADMN C[N@H+](Cc1ccc([O-])c(F)c1)C1CCC(F)(F)CC1 ZINC000699552372 1128279629 /nfs/dbraw/zinc/27/96/29/1128279629.db2.gz ZVMXSJMLUIFXHA-UHFFFAOYSA-N 0 1 273.298 3.541 20 0 CHADMN C[N@@H+](Cc1ccc([O-])c(F)c1)C1CCC(F)(F)CC1 ZINC000699552372 1128279632 /nfs/dbraw/zinc/27/96/32/1128279632.db2.gz ZVMXSJMLUIFXHA-UHFFFAOYSA-N 0 1 273.298 3.541 20 0 CHADMN CCc1onc(C)c1CN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000929787529 1128287486 /nfs/dbraw/zinc/28/74/86/1128287486.db2.gz MORIDXYZWDEESU-YVEFUNNKSA-N 0 1 270.376 3.738 20 0 CHADMN Cc1cc(CN2CCCC[C@@H]2c2ccc(F)cc2)c(C)nn1 ZINC000929786566 1128287675 /nfs/dbraw/zinc/28/76/75/1128287675.db2.gz CCJAPTJLELXJGH-GOSISDBHSA-N 0 1 299.393 3.960 20 0 CHADMN CCOC[C@@H]1CCN(Cc2nc(C)c(C(C)(C)C)s2)C1 ZINC000929778405 1128287893 /nfs/dbraw/zinc/28/78/93/1128287893.db2.gz IGZXWXSUKDRORD-CYBMUJFWSA-N 0 1 296.480 3.607 20 0 CHADMN C[C@H](c1ncccn1)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC000929819689 1128289170 /nfs/dbraw/zinc/28/91/70/1128289170.db2.gz QTOOYNRARKSPLD-VQIMIIECSA-N 0 1 295.430 3.882 20 0 CHADMN C[C@H](c1ncccn1)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000929819686 1128289551 /nfs/dbraw/zinc/28/95/51/1128289551.db2.gz QTOOYNRARKSPLD-APWZRJJASA-N 0 1 295.430 3.882 20 0 CHADMN C[C@@H]1c2ccccc2CN1CCSc1ccncc1 ZINC000929767151 1128286699 /nfs/dbraw/zinc/28/66/99/1128286699.db2.gz QSPLQBRDXPYFEU-CYBMUJFWSA-N 0 1 270.401 3.751 20 0 CHADMN CC[C@H]1CCCN(Cn2ccn(C(C)C)c2=S)C1 ZINC000915209780 1128291545 /nfs/dbraw/zinc/29/15/45/1128291545.db2.gz UBDIHHKPQPDXID-ZDUSSCGKSA-N 0 1 267.442 3.679 20 0 CHADMN CC(C)[C@@H](C)N(C)Cn1c2ccccc2n(C)c1=S ZINC000915209690 1128291945 /nfs/dbraw/zinc/29/19/45/1128291945.db2.gz RNBLSXKZMWTMGQ-GFCCVEGCSA-N 0 1 277.437 3.643 20 0 CHADMN C[C@@H](c1cccnc1)[N@@H+](C)C[C@H]1CCCC2(CCC2)O1 ZINC000930118415 1128302282 /nfs/dbraw/zinc/30/22/82/1128302282.db2.gz GKNPAHGSXMNVHH-GOEBONIOSA-N 0 1 274.408 3.566 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(OC(C)C)c2)c(C)nn1 ZINC000930198735 1128306760 /nfs/dbraw/zinc/30/67/60/1128306760.db2.gz UEZNCCWKHJCEMQ-CQSZACIVSA-N 0 1 299.418 3.731 20 0 CHADMN Cc1cccc(C2=CCN(Cc3cc(C)nnc3C)CC2)c1 ZINC000930170178 1128304270 /nfs/dbraw/zinc/30/42/70/1128304270.db2.gz VCPDMYAEIOUQRC-UHFFFAOYSA-N 0 1 293.414 3.691 20 0 CHADMN C[C@H](Cc1cccc(F)c1)[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC001168491310 1128305810 /nfs/dbraw/zinc/30/58/10/1128305810.db2.gz KWSBOEHFFHMVPS-DNVCBOLYSA-N 0 1 299.389 3.830 20 0 CHADMN C[C@H](Cc1cccc(F)c1)N1CCO[C@@H](c2ccccc2)C1 ZINC001168491310 1128305815 /nfs/dbraw/zinc/30/58/15/1128305815.db2.gz KWSBOEHFFHMVPS-DNVCBOLYSA-N 0 1 299.389 3.830 20 0 CHADMN Cc1cn(C)nc1CN[C@@H](CC(C)(C)C)c1ccccc1 ZINC000930204018 1128307023 /nfs/dbraw/zinc/30/70/23/1128307023.db2.gz JPVBUFQLEQUWBK-INIZCTEOSA-N 0 1 285.435 3.996 20 0 CHADMN CCc1onc(C)c1CNC(C)(C)c1cccc(C)c1 ZINC000930221655 1128308550 /nfs/dbraw/zinc/30/85/50/1128308550.db2.gz KSCKWFSBMPMSCJ-UHFFFAOYSA-N 0 1 272.392 3.879 20 0 CHADMN CC[C@H](C)N(C)Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000495709966 1128309662 /nfs/dbraw/zinc/30/96/62/1128309662.db2.gz DESVBMQFDWEQEP-JTQLQIEISA-N 0 1 299.440 3.720 20 0 CHADMN Cc1cn(C)nc1CN[C@@H](CC1CCC1)c1ccccc1 ZINC000930243992 1128310140 /nfs/dbraw/zinc/31/01/40/1128310140.db2.gz DFWWLBSLWHBRRD-KRWDZBQOSA-N 0 1 283.419 3.750 20 0 CHADMN Cn1nccc1[C@@H]1CCCCN1Cc1ccccc1CF ZINC000930305184 1128312330 /nfs/dbraw/zinc/31/23/30/1128312330.db2.gz ABLDUJOWUXZAOX-KRWDZBQOSA-N 0 1 287.382 3.617 20 0 CHADMN Cn1nccc1[C@H]1CCCCN1Cc1ccccc1CF ZINC000930305187 1128312751 /nfs/dbraw/zinc/31/27/51/1128312751.db2.gz ABLDUJOWUXZAOX-QGZVFWFLSA-N 0 1 287.382 3.617 20 0 CHADMN CSc1ccc([C@@H](C)NCc2cc(C)nnc2C)cc1 ZINC000930318187 1128313741 /nfs/dbraw/zinc/31/37/41/1128313741.db2.gz KEGZIURFPOOQIJ-GFCCVEGCSA-N 0 1 287.432 3.666 20 0 CHADMN CCc1ncc(CN2CCC(C)=C(c3ccco3)C2)o1 ZINC000930352220 1128315160 /nfs/dbraw/zinc/31/51/60/1128315160.db2.gz YHKHRLIROCGOMZ-UHFFFAOYSA-N 0 1 272.348 3.509 20 0 CHADMN Cc1cc(C)nc(CN2CCC(F)(c3ccccn3)CC2)c1 ZINC000930373873 1128315867 /nfs/dbraw/zinc/31/58/67/1128315867.db2.gz PEABILKZICPUBH-UHFFFAOYSA-N 0 1 299.393 3.554 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CCC=C(c2ccco2)C1 ZINC000930442073 1128318952 /nfs/dbraw/zinc/31/89/52/1128318952.db2.gz MERGDPMMSLEUFZ-LBPRGKRZSA-N 0 1 272.323 3.664 20 0 CHADMN CCc1ncc(CNC(C)(C)c2ccccc2C)o1 ZINC000930579798 1128326573 /nfs/dbraw/zinc/32/65/73/1128326573.db2.gz XPENKKUMPUACDY-UHFFFAOYSA-N 0 1 258.365 3.570 20 0 CHADMN CC[C@@H](C)[C@H](C)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000930632260 1128328542 /nfs/dbraw/zinc/32/85/42/1128328542.db2.gz ZSQNQOMCHOEWPN-BDAKNGLRSA-N 0 1 295.333 3.665 20 0 CHADMN CCc1onc(C)c1CN(Cc1ccc(C)nc1)CC1CC1 ZINC000930817862 1128336379 /nfs/dbraw/zinc/33/63/79/1128336379.db2.gz ZBPJWEVUAQPCJH-UHFFFAOYSA-N 0 1 299.418 3.661 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000193763929 1128337965 /nfs/dbraw/zinc/33/79/65/1128337965.db2.gz LCWBMWYYVFHORV-AAEUAGOBSA-N 0 1 291.345 3.629 20 0 CHADMN c1nc(-c2ccccc2)oc1C[N@H+]1CCC12CCCC2 ZINC000930846771 1128337940 /nfs/dbraw/zinc/33/79/40/1128337940.db2.gz XGNVJNLKJZYBLX-UHFFFAOYSA-N 0 1 268.360 3.860 20 0 CHADMN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1[nH]nc2ccccc21 ZINC000561658407 1128344627 /nfs/dbraw/zinc/34/46/27/1128344627.db2.gz QXOJSSBNBFYTDI-CHWSQXEVSA-N 0 1 299.418 3.850 20 0 CHADMN Cc1cc(CN[C@@]2(c3ccccc3)CC2(C)C)c(C)nn1 ZINC000931081586 1128347031 /nfs/dbraw/zinc/34/70/31/1128347031.db2.gz LSCFHDJQEVGQDC-GOSISDBHSA-N 0 1 281.403 3.508 20 0 CHADMN CCC[C@@H](C(=O)NOC1CCCCC1)c1ccccc1 ZINC000777958789 1128349010 /nfs/dbraw/zinc/34/90/10/1128349010.db2.gz PMDBWMBTWCTVQR-MRXNPFEDSA-N 0 1 275.392 3.951 20 0 CHADMN Cc1ncsc1CN(C)CCSc1ccccc1F ZINC000171751300 1128359313 /nfs/dbraw/zinc/35/93/13/1128359313.db2.gz ZBIARXCQEAMCSA-UHFFFAOYSA-N 0 1 296.436 3.815 20 0 CHADMN CSc1ccc(CN(C)Cc2scnc2C)cc1 ZINC000171752084 1128359690 /nfs/dbraw/zinc/35/96/90/1128359690.db2.gz SOWOUGWVIPMAGW-UHFFFAOYSA-N 0 1 278.446 3.805 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](C)c2ccc(F)cc2C)cn1 ZINC000932560476 1128414653 /nfs/dbraw/zinc/41/46/53/1128414653.db2.gz XMTVAQWOXVCNTG-OLZOCXBDSA-N 0 1 273.355 3.644 20 0 CHADMN Cc1nnsc1[C@H](C)N[C@@H](C)c1ccc(F)cc1C ZINC000932562213 1128414771 /nfs/dbraw/zinc/41/47/71/1128414771.db2.gz IREZHPLUJCKJEE-UWVGGRQHSA-N 0 1 279.384 3.706 20 0 CHADMN COc1nccc(CN2[C@H](C)CCC[C@@H]2C)c1Cl ZINC001235830573 1128363919 /nfs/dbraw/zinc/36/39/19/1128363919.db2.gz PGKHBLODLCGISZ-PHIMTYICSA-N 0 1 268.788 3.507 20 0 CHADMN CC(C)(C)c1n[nH]c(SCC2CCCCC2)n1 ZINC000054782830 1128364329 /nfs/dbraw/zinc/36/43/29/1128364329.db2.gz LAUKXIBPCXOOJE-UHFFFAOYSA-N 0 1 253.415 3.775 20 0 CHADMN CC(C)(C)c1nc(SCC2CCCCC2)n[nH]1 ZINC000054782830 1128364332 /nfs/dbraw/zinc/36/43/32/1128364332.db2.gz LAUKXIBPCXOOJE-UHFFFAOYSA-N 0 1 253.415 3.775 20 0 CHADMN c1nc(C2CC2)sc1CN1CCC(c2ccncc2)CC1 ZINC000561970510 1128366217 /nfs/dbraw/zinc/36/62/17/1128366217.db2.gz OCWMSUNRYBGEEK-UHFFFAOYSA-N 0 1 299.443 3.795 20 0 CHADMN FC[C@H](NCCSc1ccncc1)c1ccc(F)cc1 ZINC000931557388 1128368670 /nfs/dbraw/zinc/36/86/70/1128368670.db2.gz HDXIIMOZLXPXAM-HNNXBMFYSA-N 0 1 294.370 3.613 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cc(C)ccc3C)cc2[nH]1 ZINC000055551837 1128371603 /nfs/dbraw/zinc/37/16/03/1128371603.db2.gz KOGONLWFILREPO-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN COc1cccc2[nH]cc(CCNc3cc(C)ccn3)c21 ZINC000778015367 1128373137 /nfs/dbraw/zinc/37/31/37/1128373137.db2.gz OQQCDOKXWWQRDL-UHFFFAOYSA-N 0 1 281.359 3.535 20 0 CHADMN CC/C=C/CCN1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931795062 1128381449 /nfs/dbraw/zinc/38/14/49/1128381449.db2.gz FVCCLFCHDZSXFX-OAJJDEHYSA-N 0 1 281.403 3.714 20 0 CHADMN Cc1cc(CNC/C=C\c2c(C)cc(C)cc2C)on1 ZINC001649175840 1128381769 /nfs/dbraw/zinc/38/17/69/1128381769.db2.gz ROPLVNFYTIEEDK-WAYWQWQTSA-N 0 1 270.376 3.711 20 0 CHADMN CC(C)[C@@H]1c2ccccc2CCN1Cn1cccnc1=S ZINC000763238866 1128383087 /nfs/dbraw/zinc/38/30/87/1128383087.db2.gz ASQOTYXYRRWNEX-MRXNPFEDSA-N 0 1 299.443 3.825 20 0 CHADMN C[C@@H](c1cccnc1)[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931915227 1128387715 /nfs/dbraw/zinc/38/77/15/1128387715.db2.gz FPIVTFSRTWLZEN-CMPLNLGQSA-N 0 1 288.288 3.509 20 0 CHADMN C[C@@H](c1cccnc1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931915227 1128387719 /nfs/dbraw/zinc/38/77/19/1128387719.db2.gz FPIVTFSRTWLZEN-CMPLNLGQSA-N 0 1 288.288 3.509 20 0 CHADMN Cc1nc([C@H]2CCN([C@H](C)c3ccc(Cl)cc3)C2)no1 ZINC000931936519 1128388120 /nfs/dbraw/zinc/38/81/20/1128388120.db2.gz OOWDSKSPIHKIAS-MFKMUULPSA-N 0 1 291.782 3.582 20 0 CHADMN C[C@@H](C[C@@H]1CCOC1)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000798936966 1128391501 /nfs/dbraw/zinc/39/15/01/1128391501.db2.gz IXSVONZGPLSFRC-STQMWFEESA-N 0 1 296.842 3.629 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N1CCO[C@H](C)CC1 ZINC000932334113 1128404386 /nfs/dbraw/zinc/40/43/86/1128404386.db2.gz DLEXWSFARORGJV-VXGBXAGGSA-N 0 1 253.773 3.512 20 0 CHADMN Cc1cc(NC(=O)c2cn[nH]c2C(C)C)ccc1C1CC1 ZINC000562473409 1128404501 /nfs/dbraw/zinc/40/45/01/1128404501.db2.gz MRUHZBDSMZVYDP-UHFFFAOYSA-N 0 1 283.375 3.971 20 0 CHADMN COC(C)(C)[C@H](C)NCc1csc(-c2ccc(C)o2)n1 ZINC000932367842 1128405237 /nfs/dbraw/zinc/40/52/37/1128405237.db2.gz AKJBYKQNHDGILG-NSHDSACASA-N 0 1 294.420 3.615 20 0 CHADMN CC(C)CSCCNCc1ncc(C(C)(C)C)s1 ZINC000562504168 1128406039 /nfs/dbraw/zinc/40/60/39/1128406039.db2.gz SBMBVMRTEDWDHD-UHFFFAOYSA-N 0 1 286.510 3.919 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccn2)C2CC2)cc(Cl)n1 ZINC000932386151 1128406928 /nfs/dbraw/zinc/40/69/28/1128406928.db2.gz OJTQWDOHMJVGLG-MRXNPFEDSA-N 0 1 287.794 3.679 20 0 CHADMN Cc1nc(C)c(CN(Cc2cccc(F)c2)C2CCC2)[nH]1 ZINC000932402681 1128407966 /nfs/dbraw/zinc/40/79/66/1128407966.db2.gz LXEIXULEGMAOQV-UHFFFAOYSA-N 0 1 287.382 3.720 20 0 CHADMN CCc1noc(C)c1CN(Cc1ccccn1)CC(C)C ZINC000932446026 1128410438 /nfs/dbraw/zinc/41/04/38/1128410438.db2.gz NRMNFIRYUDAGDW-UHFFFAOYSA-N 0 1 287.407 3.599 20 0 CHADMN COc1cccc(CN(C)Cc2ccc3ccccc3c2)n1 ZINC000496807040 1128423102 /nfs/dbraw/zinc/42/31/02/1128423102.db2.gz WKHZLMIEZXUXKU-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN CC[C@H](C)[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC001257445749 1128423113 /nfs/dbraw/zinc/42/31/13/1128423113.db2.gz DRHRLMLMXFZCOD-JTQLQIEISA-N 0 1 257.299 3.862 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1F ZINC000037508344 1128433210 /nfs/dbraw/zinc/43/32/10/1128433210.db2.gz OVKHUEHSUXMQBX-NWDGAFQWSA-N 0 1 287.334 3.966 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccccc2C)c(F)c1 ZINC000037719064 1128434679 /nfs/dbraw/zinc/43/46/79/1128434679.db2.gz AQKBZBLWHGHECM-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2snnc2C)cc1C ZINC000933484368 1128436082 /nfs/dbraw/zinc/43/60/82/1128436082.db2.gz IMHQOSDHMBULGG-MNOVXSKESA-N 0 1 291.420 3.575 20 0 CHADMN CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(O)c(Cl)c1 ZINC000088302014 1128436630 /nfs/dbraw/zinc/43/66/30/1128436630.db2.gz PNVKVYUOADXFOH-VHSXEESVSA-N 0 1 269.772 3.600 20 0 CHADMN c1ccc2c(c1)C=C[C@]1(CCCN(Cc3cccnc3)C1)O2 ZINC000933660884 1128439791 /nfs/dbraw/zinc/43/97/91/1128439791.db2.gz WVSMHWJJPNXXCR-IBGZPJMESA-N 0 1 292.382 3.522 20 0 CHADMN CCO[C@@H]1C[C@H]1N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000562943945 1128441596 /nfs/dbraw/zinc/44/15/96/1128441596.db2.gz GMZBTLHUGZFIAL-BFYDXBDKSA-N 0 1 287.403 3.590 20 0 CHADMN COc1ccc(CN2CCCC2(C)C)cc1Br ZINC000063072225 1128442326 /nfs/dbraw/zinc/44/23/26/1128442326.db2.gz BAWKBJIOMSSEAQ-UHFFFAOYSA-N 0 1 298.224 3.832 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(Br)s2)C1 ZINC000125698727 1128451858 /nfs/dbraw/zinc/45/18/58/1128451858.db2.gz ZLXHVHIWIBSNES-BDAKNGLRSA-N 0 1 274.227 3.741 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2ccc(Br)s2)C1 ZINC000125698727 1128451860 /nfs/dbraw/zinc/45/18/60/1128451860.db2.gz ZLXHVHIWIBSNES-BDAKNGLRSA-N 0 1 274.227 3.741 20 0 CHADMN CCC[C@](C)(NCc1ccnc(C)n1)c1ccccc1 ZINC000934180555 1128453240 /nfs/dbraw/zinc/45/32/40/1128453240.db2.gz SHGSNOXNNCEEGJ-KRWDZBQOSA-N 0 1 269.392 3.590 20 0 CHADMN CCC[C@](C)(NCc1cc(C)nc(C)n1)c1ccccc1 ZINC000934180981 1128453784 /nfs/dbraw/zinc/45/37/84/1128453784.db2.gz ZCKIMFIBXHULFE-SFHVURJKSA-N 0 1 283.419 3.899 20 0 CHADMN FCCC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)nc1 ZINC000934451831 1128460407 /nfs/dbraw/zinc/46/04/07/1128460407.db2.gz AWFZDYLHDOJDMJ-QXMXGUDHSA-N 0 1 282.790 3.838 20 0 CHADMN C[C@@H](NCc1cccc(F)c1)c1cnn(CC2CCC2)c1 ZINC000934552166 1128462903 /nfs/dbraw/zinc/46/29/03/1128462903.db2.gz LFPPHGHWTXHUMP-CYBMUJFWSA-N 0 1 287.382 3.673 20 0 CHADMN C[C@H](NCc1cccc(F)c1)c1cnn(CC2CCC2)c1 ZINC000934552168 1128462951 /nfs/dbraw/zinc/46/29/51/1128462951.db2.gz LFPPHGHWTXHUMP-ZDUSSCGKSA-N 0 1 287.382 3.673 20 0 CHADMN C[C@@H](N[C@H]1CSc2ccccc21)c1ccc2c(c1)OCO2 ZINC000126513189 1128463807 /nfs/dbraw/zinc/46/38/07/1128463807.db2.gz UESATWSVJZQRTE-RISCZKNCSA-N 0 1 299.395 3.913 20 0 CHADMN Cc1ccccc1[C@@H](C)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000126492356 1128464304 /nfs/dbraw/zinc/46/43/04/1128464304.db2.gz SMSPFIYRIQQBTE-BEFAXECRSA-N 0 1 297.398 3.835 20 0 CHADMN COc1cc([C@@H](C)NCc2cnoc2C)cc2ccccc21 ZINC000934636349 1128464786 /nfs/dbraw/zinc/46/47/86/1128464786.db2.gz SBQDCMMLBXEFKN-GFCCVEGCSA-N 0 1 296.370 3.996 20 0 CHADMN CC[C@H](c1ccccc1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000126698851 1128465928 /nfs/dbraw/zinc/46/59/28/1128465928.db2.gz WHZIOMSWQOMNGV-MOPGFXCFSA-N 0 1 297.398 3.917 20 0 CHADMN FC(F)(F)c1coc(CN[C@@H](c2ccncc2)C2CC2)c1 ZINC000934702335 1128467222 /nfs/dbraw/zinc/46/72/22/1128467222.db2.gz WDAKDWJOJYFBSE-CQSZACIVSA-N 0 1 296.292 3.934 20 0 CHADMN CN(CC(C)(C)C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000126817129 1128468573 /nfs/dbraw/zinc/46/85/73/1128468573.db2.gz VUIFIZCOIDAFIL-UHFFFAOYSA-N 0 1 277.412 3.576 20 0 CHADMN Fc1cncc(F)c1CNC1(C2CCCCC2)CC1 ZINC000934786618 1128469240 /nfs/dbraw/zinc/46/92/40/1128469240.db2.gz CHUWTUUXHURTOL-UHFFFAOYSA-N 0 1 266.335 3.562 20 0 CHADMN c1coc(-c2nnc(CNC3(C4CCCCC4)CC3)o2)c1 ZINC000934787454 1128469434 /nfs/dbraw/zinc/46/94/34/1128469434.db2.gz IORAKPMHTLEJFF-UHFFFAOYSA-N 0 1 287.363 3.532 20 0 CHADMN Cc1cccc(C2=CC[N@@H+]([C@@H](C)c3cnccn3)CC2)c1C ZINC000934841117 1128470492 /nfs/dbraw/zinc/47/04/92/1128470492.db2.gz NOKQRMCMJSHSIQ-INIZCTEOSA-N 0 1 293.414 3.944 20 0 CHADMN Cc1cccc(C2=CCN([C@@H](C)c3cnccn3)CC2)c1C ZINC000934841117 1128470494 /nfs/dbraw/zinc/47/04/94/1128470494.db2.gz NOKQRMCMJSHSIQ-INIZCTEOSA-N 0 1 293.414 3.944 20 0 CHADMN Cc1ccc(CN(CCOc2ccccc2C)C2CC2)o1 ZINC000917062714 1128472306 /nfs/dbraw/zinc/47/23/06/1128472306.db2.gz VQFPQGJQTXIWQU-UHFFFAOYSA-N 0 1 285.387 3.940 20 0 CHADMN CC[C@H]1CCCN(Cc2nc(C)c3ccccc3n2)C1 ZINC000127120425 1128473522 /nfs/dbraw/zinc/47/35/22/1128473522.db2.gz WUEWHHJJABCDNV-AWEZNQCLSA-N 0 1 269.392 3.560 20 0 CHADMN CC(C)COc1cccc(CN2CCC[C@@H]2CF)c1 ZINC000563876393 1128483174 /nfs/dbraw/zinc/48/31/74/1128483174.db2.gz ASYCLKAQSNYVAC-OAHLLOKOSA-N 0 1 265.372 3.655 20 0 CHADMN CCC[C@@H](C)CC[C@@H](C)[N@H+]1CCn2c(cnc2C)C1 ZINC001257478012 1128489260 /nfs/dbraw/zinc/48/92/60/1128489260.db2.gz PYRVLPVFAQDPHZ-ZIAGYGMSSA-N 0 1 263.429 3.612 20 0 CHADMN Cc1noc(C)c1CN(C)Cc1c(C)cccc1C ZINC000154343689 1128492736 /nfs/dbraw/zinc/49/27/36/1128492736.db2.gz OZKMRBOJMWGZJM-UHFFFAOYSA-N 0 1 258.365 3.540 20 0 CHADMN CCCc1c(C)[nH]n(-c2ccc(Cl)cc2C)c1=O ZINC000917345770 1128494948 /nfs/dbraw/zinc/49/49/48/1128494948.db2.gz JPNZXZPGAXFUMV-LBPRGKRZSA-N 0 1 264.756 3.787 20 0 CHADMN O=C(c1cccc(F)c1O)N1CC2(CCC2)c2ccccc21 ZINC000935612563 1128496034 /nfs/dbraw/zinc/49/60/34/1128496034.db2.gz VUQIIVGCLLWBPY-UHFFFAOYSA-N 0 1 297.329 3.613 20 0 CHADMN S=C1SCCN1CN1CCC(C2CCCCC2)CC1 ZINC000917468229 1128502009 /nfs/dbraw/zinc/50/20/09/1128502009.db2.gz QDZGMACGTUSIHZ-UHFFFAOYSA-N 0 1 298.521 3.570 20 0 CHADMN CCCCCN(CCCCC)CN1CCSC1=O ZINC000917466996 1128501000 /nfs/dbraw/zinc/50/10/00/1128501000.db2.gz CBRGPIHXYAYEAK-UHFFFAOYSA-N 0 1 272.458 3.795 20 0 CHADMN CCN(CC(C)C)Cn1ccn(C(C)C)c1=S ZINC000917454061 1128501313 /nfs/dbraw/zinc/50/13/13/1128501313.db2.gz FZVZRHQTNXHVPX-UHFFFAOYSA-N 0 1 255.431 3.535 20 0 CHADMN CCN(Cc1nc(-c2ccc(Cl)cc2)no1)CC1CC1 ZINC000070014506 1128557806 /nfs/dbraw/zinc/55/78/06/1128557806.db2.gz GJDKDDCCVYDUPG-UHFFFAOYSA-N 0 1 291.782 3.622 20 0 CHADMN CN(Cc1cc(C(C)(C)C)on1)C1(C)CCCC1 ZINC000564403728 1128506847 /nfs/dbraw/zinc/50/68/47/1128506847.db2.gz HQLOLTSRWCCDCI-UHFFFAOYSA-N 0 1 250.386 3.737 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)C1CCC(C)(C)CC1 ZINC000567116719 1128558137 /nfs/dbraw/zinc/55/81/37/1128558137.db2.gz IQHPSSIRBLXZJG-UHFFFAOYSA-N 0 1 293.407 3.941 20 0 CHADMN C[C@@H](NCc1ccccc1N(C)C)c1cnn(C2CCC2)c1 ZINC000925441909 1128515863 /nfs/dbraw/zinc/51/58/63/1128515863.db2.gz FFAPMHUOPJAHKF-CQSZACIVSA-N 0 1 298.434 3.525 20 0 CHADMN Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000565101594 1128519320 /nfs/dbraw/zinc/51/93/20/1128519320.db2.gz QFWYHNNRKUSELM-HNNXBMFYSA-N 0 1 285.343 3.623 20 0 CHADMN CC[N@@H+](Cc1c(Cl)cccc1C(=O)[O-])C1CCCC1 ZINC000565101800 1128520062 /nfs/dbraw/zinc/52/00/62/1128520062.db2.gz XNSJRLHBTZBVOZ-UHFFFAOYSA-N 0 1 281.783 3.803 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(SC(C)C)cc1 ZINC000565112621 1128520233 /nfs/dbraw/zinc/52/02/33/1128520233.db2.gz WMKXVPXQMAAFAG-CYBMUJFWSA-N 0 1 295.448 3.872 20 0 CHADMN CC(C)C[C@@H](C)N1CCO[C@@H](c2cccs2)C1 ZINC000565142863 1128520596 /nfs/dbraw/zinc/52/05/96/1128520596.db2.gz XWCNDFSAAWDGKF-CHWSQXEVSA-N 0 1 253.411 3.556 20 0 CHADMN CC(C)C[C@@H](C)N1CCO[C@H](c2cccs2)C1 ZINC000565142868 1128520941 /nfs/dbraw/zinc/52/09/41/1128520941.db2.gz XWCNDFSAAWDGKF-OLZOCXBDSA-N 0 1 253.411 3.556 20 0 CHADMN CC(=O)c1cc(CN2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)on1 ZINC000565171294 1128521617 /nfs/dbraw/zinc/52/16/17/1128521617.db2.gz LFBJJIHPDQWNCM-IGCXYCKISA-N 0 1 298.386 3.644 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000565256226 1128522945 /nfs/dbraw/zinc/52/29/45/1128522945.db2.gz XBFBUUMMHSNFQO-JKSUJKDBSA-N 0 1 287.403 3.509 20 0 CHADMN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CCc1ccccc1 ZINC000565256326 1128523070 /nfs/dbraw/zinc/52/30/70/1128523070.db2.gz YGLSYAOBQSTHOT-ROUUACIJSA-N 0 1 295.382 3.519 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H](C)CC1 ZINC000068829687 1128524583 /nfs/dbraw/zinc/52/45/83/1128524583.db2.gz YGCWZUACDTUFOX-NEPJUHHUSA-N 0 1 291.420 3.981 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1CCC[C@@H](C)CC1 ZINC000068829687 1128524587 /nfs/dbraw/zinc/52/45/87/1128524587.db2.gz YGCWZUACDTUFOX-NEPJUHHUSA-N 0 1 291.420 3.981 20 0 CHADMN CCCN(Cc1noc(-c2ccccc2C)n1)CC1CC1 ZINC000129016999 1128526535 /nfs/dbraw/zinc/52/65/35/1128526535.db2.gz UBKIQYPZPGVURH-UHFFFAOYSA-N 0 1 285.391 3.667 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H](C2CCC2)C2CCCCC2)c1C ZINC000649112052 1128529222 /nfs/dbraw/zinc/52/92/22/1128529222.db2.gz KJVBUNVYHMOYBL-MRXNPFEDSA-N 0 1 289.423 3.505 20 0 CHADMN CN(Cc1nnc(C2CC2)o1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000565642527 1128529695 /nfs/dbraw/zinc/52/96/95/1128529695.db2.gz GQPCWNVUHDGJBZ-HZPDHXFCSA-N 0 1 297.402 3.715 20 0 CHADMN Cc1ccccc1[C@@H](CC(C)C)NCc1cnccn1 ZINC000565701566 1128531105 /nfs/dbraw/zinc/53/11/05/1128531105.db2.gz KFZGITSRLSTRAJ-QGZVFWFLSA-N 0 1 269.392 3.662 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)N(C)CC(=O)NC(C)(C)C ZINC000069070540 1128533195 /nfs/dbraw/zinc/53/31/95/1128533195.db2.gz WKRVFTOQIMDIKH-CQSZACIVSA-N 0 1 296.842 3.638 20 0 CHADMN C[C@H](c1noc(-c2ccc(-c3nnc[nH]3)cc2)n1)C(C)(C)C ZINC000565859126 1128533805 /nfs/dbraw/zinc/53/38/05/1128533805.db2.gz WGYMFCUDBJCRDV-SNVBAGLBSA-N 0 1 297.362 3.671 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2cccc(Cl)c2Cl)n1 ZINC000041123759 1128536374 /nfs/dbraw/zinc/53/63/74/1128536374.db2.gz BDODNMLWDHZANL-SNVBAGLBSA-N 0 1 286.162 3.699 20 0 CHADMN Cc1cscc1CNCc1cnc(C2CC2)s1 ZINC000566061442 1128537810 /nfs/dbraw/zinc/53/78/10/1128537810.db2.gz FINNXQIEFSXFRR-UHFFFAOYSA-N 0 1 264.419 3.680 20 0 CHADMN CC(C)c1nc(CNCc2ccccc2F)c2ccccn21 ZINC000566072490 1128538457 /nfs/dbraw/zinc/53/84/57/1128538457.db2.gz CHXWXHYPMNNYJM-UHFFFAOYSA-N 0 1 297.377 3.887 20 0 CHADMN CC(C)C[C@H](N)c1noc(CCc2cccc(Cl)c2)n1 ZINC000566215816 1128539739 /nfs/dbraw/zinc/53/97/39/1128539739.db2.gz VKGKCDGSQKGIRG-ZDUSSCGKSA-N 0 1 293.798 3.554 20 0 CHADMN CC[C@@H](Cc1ccccc1)c1nc([C@H](N)CC(C)C)no1 ZINC000566216470 1128539780 /nfs/dbraw/zinc/53/97/80/1128539780.db2.gz ZOUICIIEWMWWRS-LSDHHAIUSA-N 0 1 287.407 3.852 20 0 CHADMN Cc1nnsc1CN1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000566303583 1128542008 /nfs/dbraw/zinc/54/20/08/1128542008.db2.gz IFVIQVORZPMZOO-IUODEOHRSA-N 0 1 287.432 3.820 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000566358790 1128542485 /nfs/dbraw/zinc/54/24/85/1128542485.db2.gz MPKRWABDDJRPAW-BFQNTYOBSA-N 0 1 291.366 3.677 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]1Cc1c(Cl)cccc1C(=O)[O-] ZINC000566357801 1128542813 /nfs/dbraw/zinc/54/28/13/1128542813.db2.gz MOYGRJMDVNPKLP-AWEZNQCLSA-N 0 1 281.783 3.659 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000566358994 1128542826 /nfs/dbraw/zinc/54/28/26/1128542826.db2.gz BNAYBTWTTBZZEY-QGZVFWFLSA-N 0 1 293.382 3.926 20 0 CHADMN C[C@@]1(C(=O)[O-])CCC[N@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000566357123 1128542969 /nfs/dbraw/zinc/54/29/69/1128542969.db2.gz HKEZRPIGNDSILL-GOEBONIOSA-N 0 1 293.794 3.514 20 0 CHADMN CC(C)Sc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000567241848 1128560522 /nfs/dbraw/zinc/56/05/22/1128560522.db2.gz KAFHNKJUNBFXSO-OAHLLOKOSA-N 0 1 293.432 3.626 20 0 CHADMN Cc1cccc(CCN(C)Cc2ccc(F)cc2Cl)n1 ZINC000566559139 1128546412 /nfs/dbraw/zinc/54/64/12/1128546412.db2.gz SNXQRLQZKMHNSP-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN Fc1ccc2nc(-c3ccc4ccccc4n3)[nH]c2c1 ZINC000070285707 1128561340 /nfs/dbraw/zinc/56/13/40/1128561340.db2.gz ZSRKSINOBMNNSU-UHFFFAOYSA-N 0 1 263.275 3.917 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1occc1C(=O)[O-] ZINC000566979305 1128555333 /nfs/dbraw/zinc/55/53/33/1128555333.db2.gz SIRDOPRDYXOVNT-HIFRSBDPSA-N 0 1 299.370 3.746 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1occc1C(=O)[O-] ZINC000566979301 1128555359 /nfs/dbraw/zinc/55/53/59/1128555359.db2.gz SIRDOPRDYXOVNT-DZGCQCFKSA-N 0 1 299.370 3.746 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnoc2C)c(C)s1 ZINC000129745369 1128555733 /nfs/dbraw/zinc/55/57/33/1128555733.db2.gz GVTQFAPAGCWSID-SECBINFHSA-N 0 1 250.367 3.512 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@@H](C)c2cncc(F)c2)s1 ZINC000129819501 1128556808 /nfs/dbraw/zinc/55/68/08/1128556808.db2.gz JYIBBOKFSGUXLL-DTWKUNHWSA-N 0 1 279.384 3.706 20 0 CHADMN CCc1cccc(F)c1CN1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000567318141 1128562221 /nfs/dbraw/zinc/56/22/21/1128562221.db2.gz VELSPCSKBIPWFQ-IAGOWNOFSA-N 0 1 291.410 3.778 20 0 CHADMN CO[C@H]1CCN(c2c(C)c(C)nc3c(Cl)cccc32)C1 ZINC000567410352 1128563979 /nfs/dbraw/zinc/56/39/79/1128563979.db2.gz LKNRXWYCTIGFEJ-LBPRGKRZSA-N 0 1 290.794 3.730 20 0 CHADMN C[C@H](N[C@H]1CC[C@H]1C1CCC1)c1nc(C(C)(C)C)no1 ZINC000567490700 1128565310 /nfs/dbraw/zinc/56/53/10/1128565310.db2.gz WTIGYZCWCKDBSW-DRZSPHRISA-N 0 1 277.412 3.596 20 0 CHADMN C[C@@H](N[C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccoc1 ZINC000567654286 1128569734 /nfs/dbraw/zinc/56/97/34/1128569734.db2.gz TXSFNUJLCCREQJ-ABAIWWIYSA-N 0 1 286.375 3.815 20 0 CHADMN CC(C)C[C@H]1CCCN1Cc1nc(Cc2ccccc2)no1 ZINC000130241871 1128574649 /nfs/dbraw/zinc/57/46/49/1128574649.db2.gz KSLLDGXBWSJJAG-MRXNPFEDSA-N 0 1 299.418 3.671 20 0 CHADMN CCC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000568065753 1128576733 /nfs/dbraw/zinc/57/67/33/1128576733.db2.gz FIJKSHQBTKRAND-GFCCVEGCSA-N 0 1 279.355 3.536 20 0 CHADMN Cc1ccoc1CN(C)Cc1nc(C(C)C)n2ccccc12 ZINC000568033469 1128576749 /nfs/dbraw/zinc/57/67/49/1128576749.db2.gz OBANTIFHYZNRFY-UHFFFAOYSA-N 0 1 297.402 3.991 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000568061955 1128576774 /nfs/dbraw/zinc/57/67/74/1128576774.db2.gz YEZVPNQZSLZDLE-ISTVAULSSA-N 0 1 299.773 3.583 20 0 CHADMN CCCC[N@@H+](CC)Cc1cc(C(=O)[O-])ccc1Cl ZINC000568061334 1128576909 /nfs/dbraw/zinc/57/69/09/1128576909.db2.gz CDSJBPBEGOJULC-UHFFFAOYSA-N 0 1 269.772 3.660 20 0 CHADMN O=C([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000568060269 1128577089 /nfs/dbraw/zinc/57/70/89/1128577089.db2.gz YRLNBRIUKLFDNB-HNNXBMFYSA-N 0 1 293.794 3.803 20 0 CHADMN CCCC[N@@H+](Cc1c(Cl)cccc1C(=O)[O-])C1CC1 ZINC000568060221 1128577361 /nfs/dbraw/zinc/57/73/61/1128577361.db2.gz WHKPTFVLFSEOPK-UHFFFAOYSA-N 0 1 281.783 3.803 20 0 CHADMN CC(C)c1nc(CN2CC[C@H](c3ccncc3)C2)cs1 ZINC000568175887 1128579753 /nfs/dbraw/zinc/57/97/53/1128579753.db2.gz KPHAADGKIWSFMA-AWEZNQCLSA-N 0 1 287.432 3.651 20 0 CHADMN COc1ccc([C@H](C)NCc2c(C)nsc2C)cc1 ZINC000568167648 1128579824 /nfs/dbraw/zinc/57/98/24/1128579824.db2.gz KWHFOZWUFGQCFO-JTQLQIEISA-N 0 1 276.405 3.619 20 0 CHADMN Cc1oncc1CN[C@@H](CC(C)C)c1cccs1 ZINC000130405233 1128581788 /nfs/dbraw/zinc/58/17/88/1128581788.db2.gz OALXSJJKIPWEMX-ZDUSSCGKSA-N 0 1 264.394 3.922 20 0 CHADMN CC[C@H](C)[C@H](C)[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000568288667 1128582044 /nfs/dbraw/zinc/58/20/44/1128582044.db2.gz HDVLVULGMZZEBA-RYUDHWBXSA-N 0 1 293.382 3.923 20 0 CHADMN CN(Cc1cc(C(C)(C)C)on1)C[C@@H]1CC=CCC1 ZINC000568332061 1128582604 /nfs/dbraw/zinc/58/26/04/1128582604.db2.gz GCZVLKTWPBWEEC-CYBMUJFWSA-N 0 1 262.397 3.760 20 0 CHADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CCCC2(CCCCC2)C1 ZINC000568402700 1128584057 /nfs/dbraw/zinc/58/40/57/1128584057.db2.gz RQDQHYYFURPTCZ-INIZCTEOSA-N 0 1 287.403 3.859 20 0 CHADMN Clc1ccc2c(c1)CCN(Cc1ccc3nc[nH]c3c1)C2 ZINC000568462339 1128586097 /nfs/dbraw/zinc/58/60/97/1128586097.db2.gz PVYAGKQLBUSDPE-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN CC1(C)CN(Cc2cc3ccccc3o2)[C@@H]1[C@H]1CCCO1 ZINC000568568325 1128587776 /nfs/dbraw/zinc/58/77/76/1128587776.db2.gz PPIDQTCCCRQGRO-IAGOWNOFSA-N 0 1 285.387 3.822 20 0 CHADMN CC1(C)CN(Cc2cc3ccccc3o2)[C@H]1[C@H]1CCCO1 ZINC000568568327 1128587878 /nfs/dbraw/zinc/58/78/78/1128587878.db2.gz PPIDQTCCCRQGRO-SJORKVTESA-N 0 1 285.387 3.822 20 0 CHADMN C[C@]1(c2nc(-c3ccc4[nH]cnc4c3)no2)CC=CCC1 ZINC000556420383 1128588089 /nfs/dbraw/zinc/58/80/89/1128588089.db2.gz MQQBFZHNIPDSBV-INIZCTEOSA-N 0 1 280.331 3.611 20 0 CHADMN Cc1cc(-c2noc(C3CC4(CCC4)C3)n2)cc2nc[nH]c21 ZINC000568629561 1128589180 /nfs/dbraw/zinc/58/91/80/1128589180.db2.gz HREOWAPSMHWEJL-UHFFFAOYSA-N 0 1 294.358 3.969 20 0 CHADMN CCCN(C(=O)c1cc(CC)[nH]n1)[C@H]1CCc2ccccc21 ZINC000498841214 1128615111 /nfs/dbraw/zinc/61/51/11/1128615111.db2.gz MDSMTKAHXRBNLW-KRWDZBQOSA-N 0 1 297.402 3.512 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)C1CC2(CCC2)C1 ZINC000568885289 1128593605 /nfs/dbraw/zinc/59/36/05/1128593605.db2.gz DPSIUELUWILEDS-UHFFFAOYSA-N 0 1 265.740 3.564 20 0 CHADMN C[C@@H]1C[C@H](CN2CCc3sc(Cl)cc3C2)CCO1 ZINC000568979678 1128594996 /nfs/dbraw/zinc/59/49/96/1128594996.db2.gz NBMAYMLGBIVQAQ-GHMZBOCLSA-N 0 1 285.840 3.575 20 0 CHADMN Cc1ccc(C)c([C@H](C)N(C)Cc2cncs2)c1 ZINC000131359725 1128615499 /nfs/dbraw/zinc/61/54/99/1128615499.db2.gz TXLLEKVVESUWNN-ZDUSSCGKSA-N 0 1 260.406 3.953 20 0 CHADMN Cc1cnn(CCN2CCc3ccc(C(C)(C)C)cc3C2)c1 ZINC000556501912 1128597852 /nfs/dbraw/zinc/59/78/52/1128597852.db2.gz IDAVGEVUVRIVQI-UHFFFAOYSA-N 0 1 297.446 3.547 20 0 CHADMN CC(=O)c1cc(CN(C)C2CCC(C(C)(C)C)CC2)on1 ZINC000569115674 1128598979 /nfs/dbraw/zinc/59/89/79/1128598979.db2.gz RXDRPWQOBHMXPV-UHFFFAOYSA-N 0 1 292.423 3.914 20 0 CHADMN CC(C)(C)OC1CC(N2CC[C@@](F)(c3ccccc3)C2)C1 ZINC000569315819 1128604227 /nfs/dbraw/zinc/60/42/27/1128604227.db2.gz XDZDORJDGIGDNR-HTWSVDAQSA-N 0 1 291.410 3.903 20 0 CHADMN CN(Cc1nc(C2CCCCC2)cs1)C1CCOCC1 ZINC000570122934 1128616150 /nfs/dbraw/zinc/61/61/50/1128616150.db2.gz XTJRJVUNBMYOHS-UHFFFAOYSA-N 0 1 294.464 3.802 20 0 CHADMN CC(C)c1ccc(N(C)C(=O)c2cccc3c[nH]nc32)cc1 ZINC000155738258 1128612623 /nfs/dbraw/zinc/61/26/23/1128612623.db2.gz WILSYTWSKLPGCJ-UHFFFAOYSA-N 0 1 293.370 3.963 20 0 CHADMN CC[N@H+](Cc1cccc(F)c1)[C@@H](C(=O)[O-])c1ccsc1 ZINC000570168672 1128617959 /nfs/dbraw/zinc/61/79/59/1128617959.db2.gz FNFDCKRIKQAOBY-CQSZACIVSA-N 0 1 293.363 3.535 20 0 CHADMN CC[N@@H+](Cc1cccc(F)c1)[C@@H](C(=O)[O-])c1ccsc1 ZINC000570168672 1128617961 /nfs/dbraw/zinc/61/79/61/1128617961.db2.gz FNFDCKRIKQAOBY-CQSZACIVSA-N 0 1 293.363 3.535 20 0 CHADMN Cc1ccccc1C[C@@H](C)[N@@H+](C)CCCCCC(=O)[O-] ZINC000570337993 1128621427 /nfs/dbraw/zinc/62/14/27/1128621427.db2.gz KQMRNTGXAJXOKL-OAHLLOKOSA-N 0 1 277.408 3.503 20 0 CHADMN CC(C)n1cc([C@@H](C)NCc2ccccc2OC2CC2)cn1 ZINC000570249317 1128619189 /nfs/dbraw/zinc/61/91/89/1128619189.db2.gz GJCQRNGMHQBFCB-CQSZACIVSA-N 0 1 299.418 3.856 20 0 CHADMN C[C@H](c1ccccc1Cl)N(CCn1ccnc1)C1CC1 ZINC000131434976 1128619560 /nfs/dbraw/zinc/61/95/60/1128619560.db2.gz BRQYYUSRZCOJMV-CYBMUJFWSA-N 0 1 289.810 3.762 20 0 CHADMN O=C([O-])C[N@@H+](C/C=C\c1ccc(Cl)cc1)C1CCCC1 ZINC000570464710 1128624516 /nfs/dbraw/zinc/62/45/16/1128624516.db2.gz XKFXVFBCSXDICF-ARJAWSKDSA-N 0 1 293.794 3.682 20 0 CHADMN CSCc1cnc(CN(C)[C@@H](C)C(C)(C)C)s1 ZINC000556797297 1128624691 /nfs/dbraw/zinc/62/46/91/1128624691.db2.gz QFELGUGBVORVKD-JTQLQIEISA-N 0 1 272.483 3.873 20 0 CHADMN C[C@@H](F)CCN1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000556811942 1128626672 /nfs/dbraw/zinc/62/66/72/1128626672.db2.gz NULPPMYOJFDKET-CZUORRHYSA-N 0 1 289.398 3.848 20 0 CHADMN CC[C@@](C)(NCCOc1ccccc1F)c1nccs1 ZINC000072683758 1128628179 /nfs/dbraw/zinc/62/81/79/1128628179.db2.gz AGVVEZJHZZLRHE-OAHLLOKOSA-N 0 1 294.395 3.576 20 0 CHADMN COC(=O)c1cc(CN(C)[C@H](C)c2ccccc2)oc1C ZINC000072712168 1128629099 /nfs/dbraw/zinc/62/90/99/1128629099.db2.gz QUIXCRJEKRKBAR-GFCCVEGCSA-N 0 1 287.359 3.568 20 0 CHADMN CCc1cccc2c(CN3CCC[C@@H](F)C3)c[nH]c21 ZINC001138360999 1128629722 /nfs/dbraw/zinc/62/97/22/1128629722.db2.gz GTEXGXZWBKTRGC-CQSZACIVSA-N 0 1 260.356 3.664 20 0 CHADMN CCCC[C@H](CC)CN(C)[C@H](C)c1nc(C)no1 ZINC000570981000 1128635354 /nfs/dbraw/zinc/63/53/54/1128635354.db2.gz AUBPMLQEIYXDOI-YPMHNXCESA-N 0 1 253.390 3.587 20 0 CHADMN CCCC[C@@H](CC)CN(C)[C@H](C)c1nc(C)no1 ZINC000570980998 1128635534 /nfs/dbraw/zinc/63/55/34/1128635534.db2.gz AUBPMLQEIYXDOI-DGCLKSJQSA-N 0 1 253.390 3.587 20 0 CHADMN Cc1nc2cc(N[C@@H]3CC[C@H]3C(C)C)ccc2n1C ZINC000556890890 1128636437 /nfs/dbraw/zinc/63/64/37/1128636437.db2.gz ZHPLCVYZZSJTMR-UONOGXRCSA-N 0 1 257.381 3.728 20 0 CHADMN C[C@H]1CCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)CC1 ZINC000570830119 1128632855 /nfs/dbraw/zinc/63/28/55/1128632855.db2.gz KULUPVPBTYJVLQ-ZDUSSCGKSA-N 0 1 289.423 3.720 20 0 CHADMN Cc1ccccc1C[C@@H](NCC(C)(F)F)C1CC1 ZINC000570871534 1128634544 /nfs/dbraw/zinc/63/45/44/1128634544.db2.gz IEHFJVPOJQYQCQ-CQSZACIVSA-N 0 1 253.336 3.561 20 0 CHADMN CC[C@]1(C)CCN(Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000499071635 1128639370 /nfs/dbraw/zinc/63/93/70/1128639370.db2.gz VKCCDAOXLFDDHT-GOSISDBHSA-N 0 1 297.402 3.891 20 0 CHADMN CC[N@@H+](CCCc1ccsc1)C1CCC(C(=O)[O-])CC1 ZINC000572058519 1128641407 /nfs/dbraw/zinc/64/14/07/1128641407.db2.gz AVQXTIBIIPAOKY-UHFFFAOYSA-N 0 1 295.448 3.646 20 0 CHADMN Cc1c(F)cccc1-c1ccc(CN(C)[C@@H]2CCOC2)o1 ZINC000132052157 1128642467 /nfs/dbraw/zinc/64/24/67/1128642467.db2.gz OQZHJCOJNPOFQJ-CYBMUJFWSA-N 0 1 289.350 3.615 20 0 CHADMN OC[C@@H](N[C@@H]1C=CCCCCC1)c1cccc(Cl)c1F ZINC000572166278 1128642494 /nfs/dbraw/zinc/64/24/94/1128642494.db2.gz IZAYSDRJNQHUIK-IUODEOHRSA-N 0 1 297.801 3.991 20 0 CHADMN CCc1ccc(CN(Cc2ccccn2)C2CC2)s1 ZINC000572921491 1128649084 /nfs/dbraw/zinc/64/90/84/1128649084.db2.gz NEEZNKWFDUDCQJ-UHFFFAOYSA-N 0 1 272.417 3.870 20 0 CHADMN COc1ccc(-c2cnc(CN[C@@H]3CCC3(C)C)o2)cc1 ZINC000572982512 1128650089 /nfs/dbraw/zinc/65/00/89/1128650089.db2.gz XVECIQCJGJJLIP-OAHLLOKOSA-N 0 1 286.375 3.628 20 0 CHADMN CCOc1cccc(Cl)c1CN1CCC[C@H](COC)C1 ZINC000573455106 1128654155 /nfs/dbraw/zinc/65/41/55/1128654155.db2.gz BZZQKSGACGLFJG-ZDUSSCGKSA-N 0 1 297.826 3.597 20 0 CHADMN CC(C)OC1CCC(N[C@H]2CCCCC2(F)F)CC1 ZINC001257872825 1128660465 /nfs/dbraw/zinc/66/04/65/1128660465.db2.gz GNPYYFWTXFKWKP-RUXDESIVSA-N 0 1 275.383 3.890 20 0 CHADMN Cc1ccc(SCCN2CCOC3(CCC3)C2)cc1C ZINC000499246642 1128666316 /nfs/dbraw/zinc/66/63/16/1128666316.db2.gz WYIFLDLRRBSWSG-UHFFFAOYSA-N 0 1 291.460 3.650 20 0 CHADMN CCCCCC[C@@H](CC)c1nc(C2(N)CCC2)no1 ZINC000842615929 1128672538 /nfs/dbraw/zinc/67/25/38/1128672538.db2.gz BEMGTRGYJDYYJJ-GFCCVEGCSA-N 0 1 265.401 3.872 20 0 CHADMN CC(C)(C)[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000499284883 1128670490 /nfs/dbraw/zinc/67/04/90/1128670490.db2.gz FGXVNUIKFZMORD-CQSZACIVSA-N 0 1 297.402 3.585 20 0 CHADMN FC1=CCC[NH+](CCCCCC[N@@H+]2CCC=C(F)C2)C1 ZINC000778960330 1128672147 /nfs/dbraw/zinc/67/21/47/1128672147.db2.gz JRNZNTLBWHICDH-UHFFFAOYSA-N 0 1 284.394 3.665 20 0 CHADMN CCN(Cc1nnc(C(C)(C)C)o1)C1CCCCC1 ZINC000047825152 1128673959 /nfs/dbraw/zinc/67/39/59/1128673959.db2.gz GHXCPKBNIIZEPH-UHFFFAOYSA-N 0 1 265.401 3.522 20 0 CHADMN COc1ccc(CN(C)Cc2cc(F)ccc2C)cc1F ZINC000778994251 1128674567 /nfs/dbraw/zinc/67/45/67/1128674567.db2.gz ANEBZFSCVDKXSA-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN CCc1ccc(-c2noc(CN(C)C[C@H](C)CC)n2)cc1 ZINC000600655164 1128676686 /nfs/dbraw/zinc/67/66/86/1128676686.db2.gz BMEXREVVJLGISY-CYBMUJFWSA-N 0 1 287.407 3.777 20 0 CHADMN CC[C@@H](C)CN(C)CC(=O)Nc1cccc(C(C)C)c1 ZINC000600655189 1128676723 /nfs/dbraw/zinc/67/67/23/1128676723.db2.gz HANRSXPZTQFLHZ-CQSZACIVSA-N 0 1 276.424 3.726 20 0 CHADMN Fc1cccc(CN2CC[C@H](c3ccco3)C2)c1F ZINC000600683146 1128677749 /nfs/dbraw/zinc/67/77/49/1128677749.db2.gz AQIJHZKLUVFFPF-NSHDSACASA-N 0 1 263.287 3.547 20 0 CHADMN CC[C@H]1CN(CCCOc2ccc(C)c(C)c2)C[C@@H](C)O1 ZINC000600700830 1128679008 /nfs/dbraw/zinc/67/90/08/1128679008.db2.gz IMOJIFQRFCINTD-SJORKVTESA-N 0 1 291.435 3.572 20 0 CHADMN CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ncccc2O)cc1 ZINC000577781728 1128689768 /nfs/dbraw/zinc/68/97/68/1128689768.db2.gz GSVLDUWHRHJYJE-KRWDZBQOSA-N 0 1 298.386 3.523 20 0 CHADMN CC[C@H]1CN(CCCOc2cc(C)ccc2C)C[C@H](C)O1 ZINC000601067591 1128695363 /nfs/dbraw/zinc/69/53/63/1128695363.db2.gz LVOAENRHLMKOOG-IRXDYDNUSA-N 0 1 291.435 3.572 20 0 CHADMN Cc1oc([C@H](C)[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)cc1C(=O)[O-] ZINC000577878706 1128696058 /nfs/dbraw/zinc/69/60/58/1128696058.db2.gz SRNUXSCVNJSNNW-NVGCLXPQSA-N 0 1 291.391 3.859 20 0 CHADMN CC[C@@H](OC(=O)c1[nH]nc2c1CCCC2)c1ccc(C)cc1 ZINC000920801281 1128692167 /nfs/dbraw/zinc/69/21/67/1128692167.db2.gz QCZBRPZMECGJTG-MRXNPFEDSA-N 0 1 298.386 3.905 20 0 CHADMN Cc1cc(-c2noc(C[C@@H]3CCC[C@@H]3C)n2)cc2nc[nH]c21 ZINC000577898806 1128697753 /nfs/dbraw/zinc/69/77/53/1128697753.db2.gz PQTSJALLMWBQNV-JQWIXIFHSA-N 0 1 296.374 3.900 20 0 CHADMN Fc1cccc(Cl)c1CN1CC[C@H](c2cccnc2)C1 ZINC000578010038 1128703001 /nfs/dbraw/zinc/70/30/01/1128703001.db2.gz UCWQRAYOKFGPFW-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN CC(C)(C)c1coc(CNCCc2c[nH]c3ccccc23)n1 ZINC000921473531 1128710465 /nfs/dbraw/zinc/71/04/65/1128710465.db2.gz SGYNWHXKDWYCJW-UHFFFAOYSA-N 0 1 297.402 3.786 20 0 CHADMN C[C@H](NCc1cnn(CC2CCC2)c1)c1cccc(F)c1 ZINC000921472209 1128710479 /nfs/dbraw/zinc/71/04/79/1128710479.db2.gz ZCFUZMGUNYJXKG-ZDUSSCGKSA-N 0 1 287.382 3.673 20 0 CHADMN Clc1ccc(CNCc2cnn(CC3CCC3)c2)cc1 ZINC000921476522 1128710885 /nfs/dbraw/zinc/71/08/85/1128710885.db2.gz GNFPEQNAICUUCV-UHFFFAOYSA-N 0 1 289.810 3.626 20 0 CHADMN CCc1cc(CNC(c2ccccc2)c2ccccc2)[nH]n1 ZINC000779061733 1128712730 /nfs/dbraw/zinc/71/27/30/1128712730.db2.gz PZKGTHHIXICJLH-UHFFFAOYSA-N 0 1 291.398 3.851 20 0 CHADMN C[C@H](CC(=O)OC(C)(C)C)N[C@H](C)c1cc(F)ccc1F ZINC000609574657 1128718314 /nfs/dbraw/zinc/71/83/14/1128718314.db2.gz OBKAYRCAHJGCAQ-GHMZBOCLSA-N 0 1 299.361 3.736 20 0 CHADMN Cc1ccncc1CN[C@H]1CCSc2ccc(F)cc21 ZINC000135440790 1128718695 /nfs/dbraw/zinc/71/86/95/1128718695.db2.gz NXKRFPYEJAZTPN-HNNXBMFYSA-N 0 1 288.391 3.856 20 0 CHADMN Cc1ccncc1CN[C@H](C)c1ccccc1OC(F)F ZINC000135445446 1128719178 /nfs/dbraw/zinc/71/91/78/1128719178.db2.gz GVGLETMAKLLBFX-GFCCVEGCSA-N 0 1 292.329 3.842 20 0 CHADMN CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000609635844 1128721133 /nfs/dbraw/zinc/72/11/33/1128721133.db2.gz SJECKPBRUIDEJL-NVXWUHKLSA-N 0 1 279.424 3.541 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc2ccoc2c1 ZINC000578590428 1128722878 /nfs/dbraw/zinc/72/28/78/1128722878.db2.gz KHLCMZXYQQYJJV-UHFFFAOYSA-N 0 1 283.331 3.840 20 0 CHADMN COC(=O)c1cc(F)ccc1CN1CCCC[C@H]1C(C)C ZINC000609767069 1128724211 /nfs/dbraw/zinc/72/42/11/1128724211.db2.gz KVTZSXKUMCSMSZ-INIZCTEOSA-N 0 1 293.382 3.623 20 0 CHADMN c1nc(C2CC2)c(CN2CCC[C@@H]2c2ccccn2)s1 ZINC000578946012 1128733329 /nfs/dbraw/zinc/73/33/29/1128733329.db2.gz INQBGIMEGRFAFI-CQSZACIVSA-N 0 1 285.416 3.753 20 0 CHADMN CC[C@@H]1CN(CC)CCN1C(=O)CCCC1CCCCC1 ZINC000622651749 1117753110 /nfs/dbraw/zinc/75/31/10/1117753110.db2.gz QPYOUSPLCWOTSP-QGZVFWFLSA-N 0 1 294.483 3.680 20 0 CHADMN COCCN(C/C(C)=C\c1ccccc1)Cc1cccnc1 ZINC000349014301 1117753556 /nfs/dbraw/zinc/75/35/56/1117753556.db2.gz WPUHMAYVUROZKM-LGMDPLHJSA-N 0 1 296.414 3.634 20 0 CHADMN CC[C@@H]1CN(CC)CCN1C(=O)C[C@@H](C)C1CCCCC1 ZINC000622651287 1117753831 /nfs/dbraw/zinc/75/38/31/1117753831.db2.gz ALIHUCYJTHYOFX-NVXWUHKLSA-N 0 1 294.483 3.536 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1CC(=O)c1c[nH]c2ccccc12 ZINC000034989155 1117755208 /nfs/dbraw/zinc/75/52/08/1117755208.db2.gz AGXBCMKYSIKQMM-CHWSQXEVSA-N 0 1 270.376 3.614 20 0 CHADMN Cc1nc2ccccc2c(-c2cc(F)c(O)cc2F)n1 ZINC001206755329 1117761082 /nfs/dbraw/zinc/76/10/82/1117761082.db2.gz IWOZRXAVWDZPSW-UHFFFAOYSA-N 0 1 272.254 3.589 20 0 CHADMN CCc1cc(C(=O)N(C)C2CC(C)(C)CC(C)(C)C2)n[nH]1 ZINC000622749784 1117763707 /nfs/dbraw/zinc/76/37/07/1117763707.db2.gz NDPPIQYUMDTZBN-UHFFFAOYSA-N 0 1 291.439 3.649 20 0 CHADMN CCc1cccc2c1OCC[C@@H]2N[C@H](C)c1cncnc1C ZINC000579731980 1117768000 /nfs/dbraw/zinc/76/80/00/1117768000.db2.gz QNOIWJZROZFOFG-DYVFJYSZSA-N 0 1 297.402 3.522 20 0 CHADMN Cc1cc(CN2CCC[C@@]3(CCO3)C2)cc(C)c1Cl ZINC001238090162 1117771971 /nfs/dbraw/zinc/77/19/71/1117771971.db2.gz CNYCMJKYOLHJIM-MRXNPFEDSA-N 0 1 279.811 3.712 20 0 CHADMN C[C@@H]([NH2+]C(C1CC1)C1CC1)c1cc(Cl)ccc1[O-] ZINC000185161587 1117774971 /nfs/dbraw/zinc/77/49/71/1117774971.db2.gz YGKDHEKPAIRNAZ-SECBINFHSA-N 0 1 265.784 3.885 20 0 CHADMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1)c1cccs1 ZINC000035133072 1117780973 /nfs/dbraw/zinc/78/09/73/1117780973.db2.gz BCMULFUBPUZUMV-SNVBAGLBSA-N 0 1 294.807 3.691 20 0 CHADMN CN(CC(=O)N(C)c1ccccc1)C(C)(C)c1ccccc1 ZINC000671246266 1117784530 /nfs/dbraw/zinc/78/45/30/1117784530.db2.gz FCPSKURHMACSNG-UHFFFAOYSA-N 0 1 296.414 3.517 20 0 CHADMN Cc1cccc(NC(=O)CN(C)C(C)(C)c2ccccc2)c1 ZINC000671246595 1117784990 /nfs/dbraw/zinc/78/49/90/1117784990.db2.gz VRIHRLRSQXQMCJ-UHFFFAOYSA-N 0 1 296.414 3.801 20 0 CHADMN C[C@H](c1ccncc1)N1CCC(CC(F)(F)F)CC1 ZINC000671253144 1117785393 /nfs/dbraw/zinc/78/53/93/1117785393.db2.gz GZXPWBOIUXLGJL-LLVKDONJSA-N 0 1 272.314 3.807 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccns2)c(C)n1 ZINC000858577913 1117811718 /nfs/dbraw/zinc/81/17/18/1117811718.db2.gz SLAYCVXSCVOVED-VXGBXAGGSA-N 0 1 261.394 3.567 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2cncc(C3CC3)c2)C1 ZINC001238181890 1117814598 /nfs/dbraw/zinc/81/45/98/1117814598.db2.gz MGFFPRLSEFEBMS-MRXNPFEDSA-N 0 1 262.372 3.673 20 0 CHADMN CCCCOc1ccc([C@H](C)NCc2cc(C)n[nH]2)cc1 ZINC000671297662 1117814690 /nfs/dbraw/zinc/81/46/90/1117814690.db2.gz UVQDTAJAEBVIBI-AWEZNQCLSA-N 0 1 287.407 3.748 20 0 CHADMN CCCc1ccccc1NC(=O)[C@@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC000623181921 1117819248 /nfs/dbraw/zinc/81/92/48/1117819248.db2.gz VSMAXIWTTROROL-SWLSCSKDSA-N 0 1 297.402 3.667 20 0 CHADMN CC(C)c1cc(C[N@H+]2CC[C@@H](CO)[C@H]2C)ccc1Cl ZINC001238217640 1117823660 /nfs/dbraw/zinc/82/36/60/1117823660.db2.gz IVFMFHYVKDQIDI-OCCSQVGLSA-N 0 1 281.827 3.666 20 0 CHADMN CCCc1csc(CN2CCC[C@H](CSC)C2)n1 ZINC000430190958 1117830814 /nfs/dbraw/zinc/83/08/14/1117830814.db2.gz ILEOFQFMGBRCCE-LBPRGKRZSA-N 0 1 284.494 3.671 20 0 CHADMN Cc1noc(C)c1C[N@H+](C)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000361576942 1117837174 /nfs/dbraw/zinc/83/71/74/1117837174.db2.gz KBOWRBWQHGGGQM-QWHCGFSZSA-N 0 1 290.329 3.844 20 0 CHADMN Cc1noc(C)c1CN(C)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000361576942 1117837180 /nfs/dbraw/zinc/83/71/80/1117837180.db2.gz KBOWRBWQHGGGQM-QWHCGFSZSA-N 0 1 290.329 3.844 20 0 CHADMN Cc1cc(CN2CCCC[C@H](F)C2)cc(C)c1F ZINC001143373987 1117840142 /nfs/dbraw/zinc/84/01/42/1117840142.db2.gz HPVVRODBSOYQDZ-AWEZNQCLSA-N 0 1 253.336 3.767 20 0 CHADMN Cc1cc(CN(C)Cc2cnc3ccccn23)cc(C)c1F ZINC001143374093 1117843325 /nfs/dbraw/zinc/84/33/25/1117843325.db2.gz LJHCQMIOUFZRRU-UHFFFAOYSA-N 0 1 297.377 3.722 20 0 CHADMN CCOc1ccnc(N2CC[C@@H](C3CCCCC3)C2)c1 ZINC001167063565 1117845804 /nfs/dbraw/zinc/84/58/04/1117845804.db2.gz DBJJVQXPISRCER-OAHLLOKOSA-N 0 1 274.408 3.887 20 0 CHADMN C[C@@H](CN[C@H](C)c1nc(C(C)(C)C)no1)C(C)(C)C ZINC000670269960 1117852659 /nfs/dbraw/zinc/85/26/59/1117852659.db2.gz FLKVVIRQKFCZMI-WDEREUQCSA-N 0 1 267.417 3.700 20 0 CHADMN C/C(=C\C(C)(C)C)C(=O)Nc1cccc(Cl)c1O ZINC000185627446 1117859163 /nfs/dbraw/zinc/85/91/63/1117859163.db2.gz VDJNLIZVHHWQQO-CMDGGOBGSA-N 0 1 267.756 3.977 20 0 CHADMN CCC(F)(F)C(C)(C)CN[C@@H](C)c1cc(C)on1 ZINC000623515972 1117866296 /nfs/dbraw/zinc/86/62/96/1117866296.db2.gz YHKLYSHGKHHJOE-JTQLQIEISA-N 0 1 260.328 3.705 20 0 CHADMN CCO[C@@H](CNCc1ccncc1Cl)c1ccccc1 ZINC000623508721 1117863447 /nfs/dbraw/zinc/86/34/47/1117863447.db2.gz GFSFFJGMIZFCMR-INIZCTEOSA-N 0 1 290.794 3.602 20 0 CHADMN Cc1cccc(CCNCc2c(F)ccc(F)c2Cl)n1 ZINC000623510556 1117863692 /nfs/dbraw/zinc/86/36/92/1117863692.db2.gz AQTVABJQUGBHLW-UHFFFAOYSA-N 0 1 296.748 3.654 20 0 CHADMN CC(C)OC(=O)CN(Cc1ccccc1)C1CCCCC1 ZINC000065432143 1117869407 /nfs/dbraw/zinc/86/94/07/1117869407.db2.gz FVNDXRDWGOTXOA-UHFFFAOYSA-N 0 1 289.419 3.773 20 0 CHADMN CCc1ccc(C)nc1NCc1ccncc1Cl ZINC000623564239 1117873182 /nfs/dbraw/zinc/87/31/82/1117873182.db2.gz WZXJTXSCMONXKG-UHFFFAOYSA-N 0 1 261.756 3.613 20 0 CHADMN Cc1ccc(CNCc2ccccc2CC(C)C)nc1 ZINC000623586700 1117876719 /nfs/dbraw/zinc/87/67/19/1117876719.db2.gz HQPZKQLGLKISHX-UHFFFAOYSA-N 0 1 268.404 3.878 20 0 CHADMN Oc1cc(F)c(-c2ccnc(C3CCCC3)n2)cc1F ZINC001206775679 1117879450 /nfs/dbraw/zinc/87/94/50/1117879450.db2.gz GEGYJJVJZWSQSR-UHFFFAOYSA-N 0 1 276.286 3.785 20 0 CHADMN Oc1cc(F)c(-c2ccc(-c3ccsc3)nn2)cc1F ZINC001206775682 1117879922 /nfs/dbraw/zinc/87/99/22/1117879922.db2.gz GJNDZFIKNHWSNI-UHFFFAOYSA-N 0 1 290.294 3.856 20 0 CHADMN Clc1cncc(CN[C@@H](c2ccccn2)C2CCC2)c1 ZINC000623638743 1117880107 /nfs/dbraw/zinc/88/01/07/1117880107.db2.gz QSFZPBQOFZZZMS-MRXNPFEDSA-N 0 1 287.794 3.761 20 0 CHADMN CC[C@@H]1C[C@H](NCc2c(Cl)oc3ccccc32)CO1 ZINC000623644931 1117885074 /nfs/dbraw/zinc/88/50/74/1117885074.db2.gz GYXOIYCJQQNRIE-WDEREUQCSA-N 0 1 279.767 3.743 20 0 CHADMN CCCN(Cc1nccc(C)n1)[C@H]1CCc2ccccc21 ZINC000339584879 1117888280 /nfs/dbraw/zinc/88/82/80/1117888280.db2.gz MBTKMMRIXPSZMY-KRWDZBQOSA-N 0 1 281.403 3.685 20 0 CHADMN CC[C@@H](C)CCCCC(=O)NCc1ccc2cncn2c1 ZINC000655153516 1117902831 /nfs/dbraw/zinc/90/28/31/1117902831.db2.gz GAEOVODYZHVJBV-CQSZACIVSA-N 0 1 287.407 3.557 20 0 CHADMN COCCO[C@H]1CCCN([C@@H](C)c2cccc(Cl)c2)C1 ZINC000179348732 1117904119 /nfs/dbraw/zinc/90/41/19/1117904119.db2.gz PFUDRGLQFSNGCW-BBRMVZONSA-N 0 1 297.826 3.528 20 0 CHADMN c1csc(CN(Cc2cccc3nccn32)C2CC2)c1 ZINC000179679736 1117909854 /nfs/dbraw/zinc/90/98/54/1117909854.db2.gz JIWHUXJARGYMDN-UHFFFAOYSA-N 0 1 283.400 3.560 20 0 CHADMN Cc1ncc(CN(C)Cc2ccc3c(c2)CCCC3)s1 ZINC000430245506 1117914721 /nfs/dbraw/zinc/91/47/21/1117914721.db2.gz SVUXQUMHDMFKHV-UHFFFAOYSA-N 0 1 286.444 3.962 20 0 CHADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cccs1 ZINC000179850925 1117915037 /nfs/dbraw/zinc/91/50/37/1117915037.db2.gz BMKNISPHJZBFPO-UHFFFAOYSA-N 0 1 293.298 3.814 20 0 CHADMN COc1cc(CSc2nc3ccc(C)cc3[nH]2)ccn1 ZINC000339609439 1117916238 /nfs/dbraw/zinc/91/62/38/1117916238.db2.gz WYMGLYZMOSCECM-UHFFFAOYSA-N 0 1 285.372 3.567 20 0 CHADMN CC(C)(C)/C=C\C(=O)Nc1cccc(Cl)c1O ZINC000254961963 1117919615 /nfs/dbraw/zinc/91/96/15/1117919615.db2.gz ODESCJJLWCRHCI-FPLPWBNLSA-N 0 1 253.729 3.586 20 0 CHADMN Cc1cccc(CN2CC(c3ccccc3)C2)c1F ZINC001137677332 1117920538 /nfs/dbraw/zinc/92/05/38/1117920538.db2.gz MIGXVWPFFGIAMA-UHFFFAOYSA-N 0 1 255.336 3.734 20 0 CHADMN Clc1ccc(Cl)c(CN[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000623753843 1117922109 /nfs/dbraw/zinc/92/21/09/1117922109.db2.gz FFLRMYJUFWQUMC-TZMCWYRMSA-N 0 1 286.202 3.651 20 0 CHADMN CCc1cc(C)c(-c2nc(-c3ccn4cncc4c3)no2)o1 ZINC000351043663 1117924671 /nfs/dbraw/zinc/92/46/71/1117924671.db2.gz FIXGOZGDNLUAEV-UHFFFAOYSA-N 0 1 294.314 3.515 20 0 CHADMN CC(C)n1ccn(CN2CCC[C@@H](C)CC2)c1=S ZINC000748082225 1117932147 /nfs/dbraw/zinc/93/21/47/1117932147.db2.gz HEMJXWYCZAERME-CYBMUJFWSA-N 0 1 267.442 3.679 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCc3cccnc3)n2)o1 ZINC000339648166 1117946326 /nfs/dbraw/zinc/94/63/26/1117946326.db2.gz HFWBNAAPXQHKRJ-SREVYHEPSA-N 0 1 298.371 3.564 20 0 CHADMN FC[C@H]1CCCN1Cc1cccc(OCC(F)(F)F)c1 ZINC000339665080 1117950594 /nfs/dbraw/zinc/95/05/94/1117950594.db2.gz ROAIDSUDKQXKBA-GFCCVEGCSA-N 0 1 291.288 3.562 20 0 CHADMN CCC[C@@H](NCc1nccn1C)c1cc(C)sc1C ZINC000623885976 1117951834 /nfs/dbraw/zinc/95/18/34/1117951834.db2.gz NIBWUUHLIWHNFA-CQSZACIVSA-N 0 1 277.437 3.729 20 0 CHADMN Cc1occc1CN(C)C[C@@H]1CCC2(CCCC2)O1 ZINC000579378578 1128746295 /nfs/dbraw/zinc/74/62/95/1128746295.db2.gz POPNBEUPYJOEBY-HNNXBMFYSA-N 0 1 263.381 3.512 20 0 CHADMN CC(C)[C@]1(CO)CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000339702744 1117960647 /nfs/dbraw/zinc/96/06/47/1117960647.db2.gz GLHQWZBLHGDOBD-MRXNPFEDSA-N 0 1 299.817 3.710 20 0 CHADMN CC[C@H](NCc1ccns1)c1ccccc1OC(F)F ZINC000624047541 1117975247 /nfs/dbraw/zinc/97/52/47/1117975247.db2.gz GYRJRSOONSTMQY-LBPRGKRZSA-N 0 1 298.358 3.985 20 0 CHADMN Cc1cc(C)c(NC(=O)c2ccc3cncn3c2)c(C)c1 ZINC000339820131 1117978734 /nfs/dbraw/zinc/97/87/34/1117978734.db2.gz OSGYSQYEDBSZCC-UHFFFAOYSA-N 0 1 279.343 3.512 20 0 CHADMN CC(C)c1ccoc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000339827305 1117981100 /nfs/dbraw/zinc/98/11/00/1117981100.db2.gz NVKFEMBEZTVNTI-UHFFFAOYSA-N 0 1 269.304 3.532 20 0 CHADMN C[C@H](Cc1coc2ccccc12)N[C@@H](C)c1csnn1 ZINC000579447858 1128747999 /nfs/dbraw/zinc/74/79/99/1128747999.db2.gz FKIFTXGIMSJFFP-MNOVXSKESA-N 0 1 287.388 3.566 20 0 CHADMN CCC(F)(F)CN[C@@H](Cc1ccccc1)C1CC1 ZINC000624147878 1117988815 /nfs/dbraw/zinc/98/88/15/1117988815.db2.gz NONGETSJTYCDNT-AWEZNQCLSA-N 0 1 253.336 3.643 20 0 CHADMN CCC(F)(F)CN[C@@H](C)C1CCC(F)(F)CC1 ZINC000624148705 1117990371 /nfs/dbraw/zinc/99/03/71/1117990371.db2.gz LQQVAXLVXBZCLJ-VIFPVBQESA-N 0 1 255.299 3.835 20 0 CHADMN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000624144164 1117991578 /nfs/dbraw/zinc/99/15/78/1117991578.db2.gz IGBXZDFLFAHSNH-KYNGSXCRSA-N 0 1 296.414 3.967 20 0 CHADMN Oc1ccc2c(c1)C[N@@H+]([C@@H]1C=CCCCCC1)CC2 ZINC000579499357 1128749961 /nfs/dbraw/zinc/74/99/61/1128749961.db2.gz MSVIAIHZOZTNJR-MRXNPFEDSA-N 0 1 257.377 3.639 20 0 CHADMN CC(C)[C@@H]1C[C@H](N[C@@H](C)c2nccn2C)c2ccccc21 ZINC000624169017 1117992952 /nfs/dbraw/zinc/99/29/52/1117992952.db2.gz SCFBVKOBUYVORJ-JQFCIGGWSA-N 0 1 283.419 3.955 20 0 CHADMN CCSC[C@H](C)NCc1c(F)ccc(F)c1Cl ZINC000705547037 1117997164 /nfs/dbraw/zinc/99/71/64/1117997164.db2.gz QLMUBAOBEYZYNG-QMMMGPOBSA-N 0 1 279.783 3.849 20 0 CHADMN CO[C@@H]1CCCN(Cc2ccc(Cl)c(C)c2F)CC1 ZINC001238518507 1117997238 /nfs/dbraw/zinc/99/72/38/1117997238.db2.gz RPBJDMNOASAOSB-CYBMUJFWSA-N 0 1 285.790 3.788 20 0 CHADMN FC(F)Oc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000649903468 1118012864 /nfs/dbraw/zinc/01/28/64/1118012864.db2.gz OAFSNWOKQGBURT-ZDUSSCGKSA-N 0 1 289.272 3.519 20 0 CHADMN CCOc1ccnc(N(C)[C@H](C)c2ccccc2OC)c1 ZINC001167105162 1118017897 /nfs/dbraw/zinc/01/78/97/1118017897.db2.gz DYLJRNVCWABCIB-CYBMUJFWSA-N 0 1 286.375 3.686 20 0 CHADMN CC(C)Sc1ccc([C@@H](C)NCc2ccnn2C)cc1 ZINC000080198871 1118018857 /nfs/dbraw/zinc/01/88/57/1118018857.db2.gz DKIJTWAPWTVPJV-CYBMUJFWSA-N 0 1 289.448 3.771 20 0 CHADMN CCN(CC)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000045822825 1118021080 /nfs/dbraw/zinc/02/10/80/1118021080.db2.gz UWFOFSFUBAAWPF-UHFFFAOYSA-N 0 1 264.756 3.837 20 0 CHADMN O=C(CC[N@H+](CCC(F)(F)F)CC1CC1)c1ccccc1 ZINC000182443790 1118021443 /nfs/dbraw/zinc/02/14/43/1118021443.db2.gz GVVGSFZHJYCAEW-UHFFFAOYSA-N 0 1 299.336 3.924 20 0 CHADMN O=C(CCN(CCC(F)(F)F)CC1CC1)c1ccccc1 ZINC000182443790 1118021447 /nfs/dbraw/zinc/02/14/47/1118021447.db2.gz GVVGSFZHJYCAEW-UHFFFAOYSA-N 0 1 299.336 3.924 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000380636900 1118021633 /nfs/dbraw/zinc/02/16/33/1118021633.db2.gz LXQHNZYJTXAWAK-KRWDZBQOSA-N 0 1 281.440 3.636 20 0 CHADMN CCCC1=NN(c2ncccc2C(F)(F)F)C(=O)[C@H]1CC ZINC000634589067 1118024191 /nfs/dbraw/zinc/02/41/91/1118024191.db2.gz NCCIYQBUAUESJW-VIFPVBQESA-N 0 1 299.296 3.629 20 0 CHADMN COc1ccc([C@H](NCc2cc(C)ccn2)C2CC2)cc1 ZINC000328011188 1118025170 /nfs/dbraw/zinc/02/51/70/1118025170.db2.gz QAXISPRGOARQSX-GOSISDBHSA-N 0 1 282.387 3.640 20 0 CHADMN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C)c(C)o1 ZINC000182766152 1118029000 /nfs/dbraw/zinc/02/90/00/1118029000.db2.gz PCIAGZDDDMQIRL-UHFFFAOYSA-N 0 1 299.779 3.659 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCc3ccccn3)n2)o1 ZINC000339976707 1118030640 /nfs/dbraw/zinc/03/06/40/1118030640.db2.gz ZMTFJYCKPYBNPZ-FPLPWBNLSA-N 0 1 298.371 3.564 20 0 CHADMN CC(C)c1cnc(C[N@H+]2CCC[C@@H](C)[C@H]2C)s1 ZINC000183029746 1118035820 /nfs/dbraw/zinc/03/58/20/1118035820.db2.gz YBYZNIJLTGIQPJ-VXGBXAGGSA-N 0 1 252.427 3.887 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@@H](C)[C@H]2C)s1 ZINC000183029746 1118035826 /nfs/dbraw/zinc/03/58/26/1118035826.db2.gz YBYZNIJLTGIQPJ-VXGBXAGGSA-N 0 1 252.427 3.887 20 0 CHADMN CC[C@](C)(NC[C@H]1CCCCN1C(C)C)C(F)(F)F ZINC000579555090 1128751506 /nfs/dbraw/zinc/75/15/06/1128751506.db2.gz WESOZMYHBBZKKE-OLZOCXBDSA-N 0 1 280.378 3.570 20 0 CHADMN CC[C@@H](Sc1c[nH]nn1)c1ccc(Br)cc1 ZINC000471259002 1118039628 /nfs/dbraw/zinc/03/96/28/1118039628.db2.gz TVZGJTHQACJYEH-SNVBAGLBSA-N 0 1 298.209 3.811 20 0 CHADMN CCc1oc2ccccc2c1CNCc1cccc(C)n1 ZINC000048329834 1118040312 /nfs/dbraw/zinc/04/03/12/1118040312.db2.gz GJPLSNZXOGASBG-UHFFFAOYSA-N 0 1 280.371 3.988 20 0 CHADMN Cc1cc(C)cc([C@@H]2CCN(Cc3cscn3)C2)c1 ZINC000183481240 1118045350 /nfs/dbraw/zinc/04/53/50/1118045350.db2.gz HPOODBHUBQGBIG-CQSZACIVSA-N 0 1 272.417 3.749 20 0 CHADMN O[C@@H](CN[C@@H](c1ccco1)c1ccccc1)C1CCCCC1 ZINC000183548363 1118045605 /nfs/dbraw/zinc/04/56/05/1118045605.db2.gz WBFUGSYPKQEPHQ-PKOBYXMFSA-N 0 1 299.414 3.900 20 0 CHADMN C[C@@H](c1cccnc1)N(C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000183718047 1118049044 /nfs/dbraw/zinc/04/90/44/1118049044.db2.gz FYAXSLSSDCPSIY-AWEZNQCLSA-N 0 1 296.414 3.988 20 0 CHADMN CN1CCCc2cc(-c3nc4ccc(F)cc4[nH]3)ccc21 ZINC000748095967 1118051309 /nfs/dbraw/zinc/05/13/09/1118051309.db2.gz LIILPKQBUPIBJY-UHFFFAOYSA-N 0 1 281.334 3.751 20 0 CHADMN CCc1nc([C@H](C)NCCOc2ccc(F)cc2)cs1 ZINC000184674486 1118056813 /nfs/dbraw/zinc/05/68/13/1118056813.db2.gz GJPDGGMTHJIIOD-NSHDSACASA-N 0 1 294.395 3.574 20 0 CHADMN CCC[C@@H](NCc1cccnc1OCC)c1cccnc1 ZINC000184985496 1118059728 /nfs/dbraw/zinc/05/97/28/1118059728.db2.gz URSSVQLWEITRQQ-MRXNPFEDSA-N 0 1 285.391 3.506 20 0 CHADMN C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ccccc2F)C1 ZINC000185716677 1118063962 /nfs/dbraw/zinc/06/39/62/1118063962.db2.gz JXMKDDYLKVJEDS-DYVFJYSZSA-N 0 1 270.351 3.804 20 0 CHADMN C[C@H](NCc1c(F)cccc1F)[C@H]1COc2ccccc21 ZINC000185648749 1118064232 /nfs/dbraw/zinc/06/42/32/1118064232.db2.gz CWUVXKPKHIXJGL-SMDDNHRTSA-N 0 1 289.325 3.619 20 0 CHADMN CC(C)c1ncc(CN[C@H](c2cccnc2)C2CC2)s1 ZINC000340102392 1118064282 /nfs/dbraw/zinc/06/42/82/1118064282.db2.gz AITZYUZHFKAIDG-HNNXBMFYSA-N 0 1 287.432 3.902 20 0 CHADMN Fc1cccc(C2(NCc3ccc(Cl)nc3)CC2)c1 ZINC000083471446 1118066296 /nfs/dbraw/zinc/06/62/96/1118066296.db2.gz COBXQIOLFSPAAN-UHFFFAOYSA-N 0 1 276.742 3.653 20 0 CHADMN Cc1cc(C(=O)Nc2ccc3c(C)[nH]nc3c2)c(C)s1 ZINC000091825096 1118068438 /nfs/dbraw/zinc/06/84/38/1118068438.db2.gz JDRSFVQCCPZFDH-UHFFFAOYSA-N 0 1 285.372 3.802 20 0 CHADMN CC(C)CSCCNCc1nc(C(C)(C)C)cs1 ZINC000397104964 1118069269 /nfs/dbraw/zinc/06/92/69/1118069269.db2.gz BJSDMFLDUWUFAA-UHFFFAOYSA-N 0 1 286.510 3.919 20 0 CHADMN Cc1[nH]ncc1CNc1ccc2c(c1)CCCCC2 ZINC000404527551 1118073045 /nfs/dbraw/zinc/07/30/45/1118073045.db2.gz UKXFWQWIJJBCTQ-UHFFFAOYSA-N 0 1 255.365 3.599 20 0 CHADMN CCCCCCc1ccc(CN(C)CC(OC)OC)s1 ZINC001238704203 1118074496 /nfs/dbraw/zinc/07/44/96/1118074496.db2.gz UJIOCFWOWLPSJG-UHFFFAOYSA-N 0 1 299.480 3.922 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CCC[C@H](C)C1 ZINC001238699258 1118074822 /nfs/dbraw/zinc/07/48/22/1118074822.db2.gz YKPHGRZEPMTRES-ZDUSSCGKSA-N 0 1 265.372 3.845 20 0 CHADMN Fc1cc(Br)cc(Cl)c1N=C1CCOC1 ZINC001203389284 1118083107 /nfs/dbraw/zinc/08/31/07/1118083107.db2.gz SFVVOUBIBCEVJQ-UHFFFAOYSA-N 0 1 292.535 3.568 20 0 CHADMN Cc1ccc(C)c(NC(=O)c2ccc(CN3CCCC3)o2)c1 ZINC000141099230 1118099046 /nfs/dbraw/zinc/09/90/46/1118099046.db2.gz OKEGLRCGLNNDOP-UHFFFAOYSA-N 0 1 298.386 3.745 20 0 CHADMN c1c2ccccc2sc1CNCc1cccc2c1OCO2 ZINC000236605084 1118109425 /nfs/dbraw/zinc/10/94/25/1118109425.db2.gz QPZMBFKZLMIOKJ-UHFFFAOYSA-N 0 1 297.379 3.920 20 0 CHADMN COc1cc(CNCc2ccc(C(C)(C)C)cc2)sn1 ZINC000399127199 1118111475 /nfs/dbraw/zinc/11/14/75/1118111475.db2.gz REEYNCIEMRIHEQ-UHFFFAOYSA-N 0 1 290.432 3.739 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CCC(C)(C)CC1 ZINC000340213533 1118112074 /nfs/dbraw/zinc/11/20/74/1118112074.db2.gz HVLGXVXIUCKIBQ-UHFFFAOYSA-N 0 1 289.398 3.817 20 0 CHADMN CO[C@@H](CNc1ccc2cnccc2c1)CC(C)C ZINC000653469203 1118114194 /nfs/dbraw/zinc/11/41/94/1118114194.db2.gz RIZYNTZFEUASEN-MRXNPFEDSA-N 0 1 258.365 3.708 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@@H](C)c1ccco1 ZINC000764799470 1118115009 /nfs/dbraw/zinc/11/50/09/1118115009.db2.gz LQWAQIMLXQPMGO-LBPRGKRZSA-N 0 1 296.326 3.896 20 0 CHADMN CC(C)(C)c1coc(CNCCCOC2CCCCC2)n1 ZINC000921511218 1118116509 /nfs/dbraw/zinc/11/65/09/1118116509.db2.gz CQVKSRPJJOGPNV-UHFFFAOYSA-N 0 1 294.439 3.801 20 0 CHADMN Cc1ccc(Cl)c(NC[C@@H](c2ccsc2)N(C)C)n1 ZINC000765006330 1118130569 /nfs/dbraw/zinc/13/05/69/1118130569.db2.gz UTGKRONOXKXZOA-ZDUSSCGKSA-N 0 1 295.839 3.820 20 0 CHADMN COc1ccc([C@H]2CCCCCN2Cc2ccn(C)n2)cc1 ZINC000340281837 1118130663 /nfs/dbraw/zinc/13/06/63/1118130663.db2.gz DXZICCQPOGALNJ-GOSISDBHSA-N 0 1 299.418 3.546 20 0 CHADMN C[C@@H]1C[N@@H+](CC2(C)CCC2)[C@@H](c2ccccc2)CO1 ZINC000340285714 1118132062 /nfs/dbraw/zinc/13/20/62/1118132062.db2.gz QZXQPYJHGVIGEN-GDBMZVCRSA-N 0 1 259.393 3.639 20 0 CHADMN Cc1cccc2c1nc(N)n2C1=CCC(F)(F)CC1 ZINC001210029082 1118135251 /nfs/dbraw/zinc/13/52/51/1118135251.db2.gz ZCOUUSIKJWXHCC-UHFFFAOYSA-N 0 1 263.291 3.587 20 0 CHADMN CCN(Cc1ccccc1)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000340308030 1118137781 /nfs/dbraw/zinc/13/77/81/1118137781.db2.gz NIDIUKCRYAHWIW-INIZCTEOSA-N 0 1 296.414 3.560 20 0 CHADMN COCc1ccc(CNCc2cccc(OC(C)C)c2)o1 ZINC000765237896 1118138723 /nfs/dbraw/zinc/13/87/23/1118138723.db2.gz KBBJPFYVYMJQTP-UHFFFAOYSA-N 0 1 289.375 3.503 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C1(C(F)F)CCCC1 ZINC000579905805 1118142417 /nfs/dbraw/zinc/14/24/17/1118142417.db2.gz CXTGKWDFHUMGOM-UHFFFAOYSA-N 0 1 293.317 3.635 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1ccc([C@@H](C)O)cc1 ZINC000765305417 1118144673 /nfs/dbraw/zinc/14/46/73/1118144673.db2.gz PBRVKGYUZZFATF-HUUCEWRRSA-N 0 1 299.414 3.989 20 0 CHADMN CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1nc(C(C)(C)C)cs1 ZINC000120914818 1118145734 /nfs/dbraw/zinc/14/57/34/1118145734.db2.gz PTDOMCAYJXKFPA-CHWSQXEVSA-N 0 1 296.480 3.566 20 0 CHADMN CC[C@@H](O)[C@H]1CCCCN1Cc1nc(C(C)(C)C)cs1 ZINC000120914818 1118145737 /nfs/dbraw/zinc/14/57/37/1118145737.db2.gz PTDOMCAYJXKFPA-CHWSQXEVSA-N 0 1 296.480 3.566 20 0 CHADMN C[C@H](NCc1nccc2ccccc21)c1cncc(F)c1 ZINC000765403817 1118149322 /nfs/dbraw/zinc/14/93/22/1118149322.db2.gz KTXUCEVSTOHUJX-LBPRGKRZSA-N 0 1 281.334 3.620 20 0 CHADMN CCN(CCCc1cccnc1)Cc1c(F)cccc1F ZINC001167283635 1118156376 /nfs/dbraw/zinc/15/63/76/1118156376.db2.gz JWJAFSMMYHWQQS-UHFFFAOYSA-N 0 1 290.357 3.815 20 0 CHADMN Cc1ccc([C@@H](O)CNCc2c(F)cccc2Cl)cc1 ZINC000237780170 1128759211 /nfs/dbraw/zinc/75/92/11/1128759211.db2.gz OGZLHBHGENQJJL-INIZCTEOSA-N 0 1 293.769 3.611 20 0 CHADMN C[C@H](Nc1ccc(Cl)c(CN(C)C)c1)[C@H]1CC1(F)F ZINC000639134551 1118162311 /nfs/dbraw/zinc/16/23/11/1118162311.db2.gz OCCCTPGLINSPTN-JOYOIKCWSA-N 0 1 288.769 3.857 20 0 CHADMN Cc1ncc(CNC(C)(C)c2ccc(F)cc2)s1 ZINC000237784720 1128759721 /nfs/dbraw/zinc/75/97/21/1128759721.db2.gz QVKLFLXKWYTMLR-UHFFFAOYSA-N 0 1 264.369 3.616 20 0 CHADMN COc1cccc(OC)c1CN[C@@H](C)c1ccccc1 ZINC000225965064 1118167197 /nfs/dbraw/zinc/16/71/97/1118167197.db2.gz XLUQKWFXLPIBBJ-ZDUSSCGKSA-N 0 1 271.360 3.555 20 0 CHADMN Cc1ccnc(CN(C)Cc2cc(C)cc(C)c2)c1 ZINC000683524633 1118169205 /nfs/dbraw/zinc/16/92/05/1118169205.db2.gz IOEFNKYYBCPTOG-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN FC(F)[C@@H]1CCCCN1[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000639138129 1118174024 /nfs/dbraw/zinc/17/40/24/1118174024.db2.gz PKLMJTZNPDJGBT-QWHCGFSZSA-N 0 1 298.381 3.546 20 0 CHADMN Cc1cc(F)cc([C@]2(F)CCN(CCC[C@@H]3CCO3)C2)c1 ZINC000639139410 1118175337 /nfs/dbraw/zinc/17/53/37/1118175337.db2.gz NECSXAJFPUVRNB-SJORKVTESA-N 0 1 295.373 3.574 20 0 CHADMN CCc1ccc(NC(=O)CN(C)[C@@H](C)c2ccccc2)cc1 ZINC000023039428 1118177718 /nfs/dbraw/zinc/17/77/18/1118177718.db2.gz INQVBFAZWALMBP-HNNXBMFYSA-N 0 1 296.414 3.881 20 0 CHADMN CC[C@H]1CCCCN1CC(=O)Nc1c(C)cc(C)cc1C ZINC000023991279 1118180855 /nfs/dbraw/zinc/18/08/55/1118180855.db2.gz MPCUKXNKXCBLFE-INIZCTEOSA-N 0 1 288.435 3.815 20 0 CHADMN CCc1nnc(SCCOc2cccc3ccccc32)[nH]1 ZINC000064927541 1118183905 /nfs/dbraw/zinc/18/39/05/1118183905.db2.gz FIXUCQNDEQHSOC-UHFFFAOYSA-N 0 1 299.399 3.691 20 0 CHADMN CCc1n[nH]c(SCCOc2cccc3ccccc32)n1 ZINC000064927541 1118183907 /nfs/dbraw/zinc/18/39/07/1118183907.db2.gz FIXUCQNDEQHSOC-UHFFFAOYSA-N 0 1 299.399 3.691 20 0 CHADMN Cc1cc([C@H](C)NCC2(C(F)(F)F)CCCC2)nn1C ZINC000624272684 1118186276 /nfs/dbraw/zinc/18/62/76/1118186276.db2.gz OJIBXWSCMDETNS-NSHDSACASA-N 0 1 289.345 3.502 20 0 CHADMN CC[C@@H](NCC1(C(F)(F)F)CCCC1)c1ccn(C)n1 ZINC000624272565 1118186943 /nfs/dbraw/zinc/18/69/43/1118186943.db2.gz KNRIKYZUEYLSES-LLVKDONJSA-N 0 1 289.345 3.584 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@@H]2CCCn3ccnc32)c1 ZINC000655712462 1118190276 /nfs/dbraw/zinc/19/02/76/1118190276.db2.gz OBRDITMQRNMCAU-GDBMZVCRSA-N 0 1 269.392 3.686 20 0 CHADMN Cc1ccc(C2=CCN(Cc3cncc(C)c3)CC2)cc1 ZINC000785437887 1118192577 /nfs/dbraw/zinc/19/25/77/1118192577.db2.gz AZWJSYIQANSUIU-UHFFFAOYSA-N 0 1 278.399 3.988 20 0 CHADMN CCC1(NC(=O)c2cc3[nH]cnc3cc2F)CCCCC1 ZINC000615866173 1128765337 /nfs/dbraw/zinc/76/53/37/1128765337.db2.gz VPVBLUVABMDBJI-UHFFFAOYSA-N 0 1 289.354 3.545 20 0 CHADMN C[C@@H]1CC[C@H](NCc2csc(-c3ccco3)n2)CS1 ZINC000655724062 1118193362 /nfs/dbraw/zinc/19/33/62/1118193362.db2.gz RPHMMIKCVVYQMZ-MNOVXSKESA-N 0 1 294.445 3.777 20 0 CHADMN CSc1cc(C)ccc1CN[C@@H](C)c1cncnc1C ZINC000655723432 1118194005 /nfs/dbraw/zinc/19/40/05/1118194005.db2.gz NQMNLXMMWWVFKM-LBPRGKRZSA-N 0 1 287.432 3.666 20 0 CHADMN Cc1scc(CNCc2cccc3c2OCC3)c1C ZINC000693097541 1118194751 /nfs/dbraw/zinc/19/47/51/1118194751.db2.gz OBKWQECTBXDKNB-UHFFFAOYSA-N 0 1 273.401 3.590 20 0 CHADMN CCn1cc(CN(Cc2cc3ccccc3[nH]2)C(C)C)cn1 ZINC000651960257 1118197149 /nfs/dbraw/zinc/19/71/49/1118197149.db2.gz ZXFLUDZLYNFTFK-UHFFFAOYSA-N 0 1 296.418 3.795 20 0 CHADMN Cc1ccc(OCc2nc(CNCC3CC3)cs2)cc1 ZINC000172113280 1118199343 /nfs/dbraw/zinc/19/93/43/1118199343.db2.gz QNBDXXVSJDNIBU-UHFFFAOYSA-N 0 1 288.416 3.530 20 0 CHADMN CO[C@H](CNCc1cc(C)cnc1Cl)c1ccccc1 ZINC000921576985 1118202194 /nfs/dbraw/zinc/20/21/94/1118202194.db2.gz GGRIFFNFNXYBNP-OAHLLOKOSA-N 0 1 290.794 3.521 20 0 CHADMN C[C@@H](Cc1ccccc1F)NCc1nc(C(C)(C)C)co1 ZINC000921583970 1118203331 /nfs/dbraw/zinc/20/33/31/1118203331.db2.gz UMVFQJUELAZDHU-LBPRGKRZSA-N 0 1 290.382 3.832 20 0 CHADMN Cc1cc2c(c(C)c1)[C@@H](N[C@@H]1C[C@@H](C)n3ccnc31)CC2 ZINC000655771814 1118207285 /nfs/dbraw/zinc/20/72/85/1118207285.db2.gz GLAWPPMHNSXUSB-VNQPRFMTSA-N 0 1 281.403 3.783 20 0 CHADMN COc1cc([C@H](C)NC2(c3ccccc3C)CC2)ccn1 ZINC000655779641 1118208007 /nfs/dbraw/zinc/20/80/07/1118208007.db2.gz PRSODJAOIBDJNF-AWEZNQCLSA-N 0 1 282.387 3.739 20 0 CHADMN CC[C@H]1CCCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)C1 ZINC000027153098 1118210847 /nfs/dbraw/zinc/21/08/47/1118210847.db2.gz PXQRGIOFXFONBE-AWEZNQCLSA-N 0 1 297.402 3.647 20 0 CHADMN CCOc1ccc2nc(SCc3cccnc3)[nH]c2c1 ZINC000027774381 1118211922 /nfs/dbraw/zinc/21/19/22/1118211922.db2.gz GOWSBYVKZVDPHQ-UHFFFAOYSA-N 0 1 285.372 3.649 20 0 CHADMN COc1c(C)cccc1CN[C@H](C)c1ccsc1 ZINC000655810105 1118221169 /nfs/dbraw/zinc/22/11/69/1118221169.db2.gz HTAKCPAVALSAPH-GFCCVEGCSA-N 0 1 261.390 3.916 20 0 CHADMN CC[C@@H](CC1CCCC1)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615790330 1128763682 /nfs/dbraw/zinc/76/36/82/1128763682.db2.gz URQQYGPFFKDFEH-HNNXBMFYSA-N 0 1 299.418 3.786 20 0 CHADMN CCCCCN(Cc1nc(-c2ccco2)no1)C(C)C ZINC000051708977 1118224938 /nfs/dbraw/zinc/22/49/38/1118224938.db2.gz QKMNZTHTKXNDPS-UHFFFAOYSA-N 0 1 277.368 3.730 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1cccc2c1OCC2 ZINC000921620615 1118225564 /nfs/dbraw/zinc/22/55/64/1118225564.db2.gz JWHVENHIJPNIFR-AWEZNQCLSA-N 0 1 297.398 3.871 20 0 CHADMN C[C@H](CC(=O)NCc1ccc2nc[nH]c2c1)C1CCCCC1 ZINC000615790575 1128763817 /nfs/dbraw/zinc/76/38/17/1128763817.db2.gz XZPFTOBHEWYEFN-CYBMUJFWSA-N 0 1 299.418 3.786 20 0 CHADMN Cc1ccc(-c2cnc(CN3CCC[C@H](C)C3)o2)cc1 ZINC000041362699 1118230265 /nfs/dbraw/zinc/23/02/65/1118230265.db2.gz UXAHVVNOJPOTSH-AWEZNQCLSA-N 0 1 270.376 3.882 20 0 CHADMN CC(C)CC(=O)Nc1nc(-c2cccc3ccccc32)n[nH]1 ZINC000042756637 1118239206 /nfs/dbraw/zinc/23/92/06/1118239206.db2.gz KEIYNHOZDLBNGW-UHFFFAOYSA-N 0 1 294.358 3.610 20 0 CHADMN O=C(Nc1ccc(O)cc1Cl)c1ccc(O)c(Cl)c1 ZINC000085204888 1118241970 /nfs/dbraw/zinc/24/19/70/1118241970.db2.gz AZABZSICJHMKOM-UHFFFAOYSA-N 0 1 298.125 3.657 20 0 CHADMN CC(C)(C)SCC(=O)Nc1cccc(Cl)c1O ZINC000172356837 1118244290 /nfs/dbraw/zinc/24/42/90/1118244290.db2.gz DAJLBZCJDAICQT-UHFFFAOYSA-N 0 1 273.785 3.516 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)C[C@@H]1CCC(C)(C)O1 ZINC000409445952 1118247312 /nfs/dbraw/zinc/24/73/12/1118247312.db2.gz YPYFYRVQDKUFMF-STQMWFEESA-N 0 1 265.372 3.776 20 0 CHADMN Fc1cccc(F)c1CNC[C@@H]1CCC2(CCCC2)O1 ZINC000655861469 1118247699 /nfs/dbraw/zinc/24/76/99/1118247699.db2.gz PMNGHAWFSPAIDR-LBPRGKRZSA-N 0 1 281.346 3.546 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1CCc2c1cccc2C ZINC000340442900 1118253723 /nfs/dbraw/zinc/25/37/23/1118253723.db2.gz QECLDNUCBDZRFD-QGZVFWFLSA-N 0 1 270.376 3.631 20 0 CHADMN CC[C@H](C)CN(CC)Cc1ncc(C(C)(C)C)o1 ZINC000409445250 1118254929 /nfs/dbraw/zinc/25/49/29/1118254929.db2.gz UPDBZLUOUQVKRA-LBPRGKRZSA-N 0 1 252.402 3.840 20 0 CHADMN c1cc(CN[C@@H]2CCCOc3ccccc32)n(C2CCC2)n1 ZINC000921637306 1118255167 /nfs/dbraw/zinc/25/51/67/1118255167.db2.gz WRZYFNWHCQIJOA-QGZVFWFLSA-N 0 1 297.402 3.612 20 0 CHADMN CC1(CNc2nccn2Cc2ccccc2)CCC1 ZINC000351566835 1118256252 /nfs/dbraw/zinc/25/62/52/1118256252.db2.gz IXKDWRBCFJCULV-UHFFFAOYSA-N 0 1 255.365 3.534 20 0 CHADMN COC(=O)c1oc(CN(Cc2ccccc2)C2CC2)cc1C ZINC000046510975 1118263380 /nfs/dbraw/zinc/26/33/80/1118263380.db2.gz HLFBMVWTLAYRPS-UHFFFAOYSA-N 0 1 299.370 3.539 20 0 CHADMN Cc1cccc(C)c1CN(C)Cc1ccc(Cl)nc1 ZINC000177633735 1118267566 /nfs/dbraw/zinc/26/75/66/1118267566.db2.gz GZHFTZGTJZQPER-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN COC[C@H](NCC[C@@H](C)F)c1cccc(Cl)c1F ZINC000340467340 1118273110 /nfs/dbraw/zinc/27/31/10/1118273110.db2.gz GZPLSKAKSULUPR-SKDRFNHKSA-N 0 1 277.742 3.504 20 0 CHADMN C[C@H](F)CCN[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000340468666 1118273748 /nfs/dbraw/zinc/27/37/48/1118273748.db2.gz KRPWRUVITDMCTR-LRDDRELGSA-N 0 1 276.330 3.648 20 0 CHADMN COc1ccc2ccccc2c1CNCc1ccc(F)nc1 ZINC000188977728 1128766957 /nfs/dbraw/zinc/76/69/57/1128766957.db2.gz XXOFHAQYJCOYCS-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN COc1cc([C@H](C)NCc2ccccc2Cl)ccn1 ZINC000340470545 1118276590 /nfs/dbraw/zinc/27/65/90/1118276590.db2.gz PBFNCYNKDPLKRO-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN CC[C@H](C)c1cccc(NC(=O)CN(C)C2CCC2)c1 ZINC001167322108 1118284545 /nfs/dbraw/zinc/28/45/45/1118284545.db2.gz WCYFXRRNUGAWGC-ZDUSSCGKSA-N 0 1 274.408 3.623 20 0 CHADMN CC(C)c1noc(CN2CCC[C@@H]2CC(C)(C)C)n1 ZINC000057863336 1118285280 /nfs/dbraw/zinc/28/52/80/1118285280.db2.gz JVOWTXAKESWZBX-GFCCVEGCSA-N 0 1 265.401 3.594 20 0 CHADMN CC(C)c1cc(CNC/C=C/c2ccc(F)c(F)c2)on1 ZINC000671710981 1118285487 /nfs/dbraw/zinc/28/54/87/1118285487.db2.gz QXUVRPXEGIYLML-ONEGZZNKSA-N 0 1 292.329 3.879 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N1CCC[C@H]1C1CCCCC1 ZINC000058553454 1118289043 /nfs/dbraw/zinc/28/90/43/1118289043.db2.gz RLACJHHVAJWOIS-KRWDZBQOSA-N 0 1 297.402 3.748 20 0 CHADMN CCc1nnc(C[N@@H+]2CCC[C@H]2[C@H](CC)c2ccccc2)o1 ZINC000058523985 1118289531 /nfs/dbraw/zinc/28/95/31/1118289531.db2.gz ULMFCKANGNEJCA-CVEARBPZSA-N 0 1 299.418 3.790 20 0 CHADMN COc1cc(C[N@@H+](C)CCOC(C)(C)C)ccc1SC ZINC000058527545 1118289718 /nfs/dbraw/zinc/28/97/18/1118289718.db2.gz JKCFWODWVRSEDT-UHFFFAOYSA-N 0 1 297.464 3.664 20 0 CHADMN Fc1ccc(/C=C\CN(Cc2cccnc2)C2CC2)cc1 ZINC000349253675 1118293044 /nfs/dbraw/zinc/29/30/44/1118293044.db2.gz WYHCLSRZOYUFAA-RQOWECAXSA-N 0 1 282.362 3.899 20 0 CHADMN Cc1ccc2nc(SCc3cnc4ccccn34)[nH]c2c1 ZINC000059209027 1118294694 /nfs/dbraw/zinc/29/46/94/1118294694.db2.gz LMHXONJAFLAOPM-UHFFFAOYSA-N 0 1 294.383 3.811 20 0 CHADMN CSc1ccc(CNCc2ccc(Cl)o2)cc1 ZINC000060841915 1118302827 /nfs/dbraw/zinc/30/28/27/1118302827.db2.gz YQHACODGSTYAKZ-UHFFFAOYSA-N 0 1 267.781 3.945 20 0 CHADMN Clc1ccccc1-c1noc([C@@H]2CCCCCN2)n1 ZINC000080989216 1118307249 /nfs/dbraw/zinc/30/72/49/1118307249.db2.gz JMTGYMHUZQZJEN-LBPRGKRZSA-N 0 1 277.755 3.595 20 0 CHADMN COc1ccc(Cl)cc1CN(C)Cc1ccccc1 ZINC000061745655 1118308268 /nfs/dbraw/zinc/30/82/68/1118308268.db2.gz UEJMHEVBYWPZHY-UHFFFAOYSA-N 0 1 275.779 3.981 20 0 CHADMN Cc1c2ccccc2n(C)c1CN[C@@H](C)c1ccncc1F ZINC000340503101 1118308623 /nfs/dbraw/zinc/30/86/23/1118308623.db2.gz YTQWECOLKOGMQX-ZDUSSCGKSA-N 0 1 297.377 3.872 20 0 CHADMN COc1ccc(CN(C)Cc2cccc(C)c2)c(OC)c1 ZINC000061778748 1118310000 /nfs/dbraw/zinc/31/00/00/1118310000.db2.gz MJVNTBNYASJCTB-UHFFFAOYSA-N 0 1 285.387 3.644 20 0 CHADMN CN(C)Cc1cc(NC[C@H]2CCSC2)ccc1Cl ZINC000282252772 1118310069 /nfs/dbraw/zinc/31/00/69/1118310069.db2.gz ORLFKSFSCDKOES-LLVKDONJSA-N 0 1 284.856 3.567 20 0 CHADMN Fc1ccc(F)c(CN2CCC3(CCC3)CC2)c1 ZINC000671728897 1118315655 /nfs/dbraw/zinc/31/56/55/1118315655.db2.gz YONXYFFBECSGJA-UHFFFAOYSA-N 0 1 251.320 3.731 20 0 CHADMN C[C@H](N[C@H]1CCC[C@H]1F)c1cnn(C2CCCC2)c1 ZINC000340521927 1118315864 /nfs/dbraw/zinc/31/58/64/1118315864.db2.gz GZQLZFQMFGWFOO-GLQYFDAESA-N 0 1 265.376 3.539 20 0 CHADMN CC[C@@H]1CC[C@H](C)C[C@@H]1NCc1ncn(-c2ccccc2)n1 ZINC000340522792 1118316184 /nfs/dbraw/zinc/31/61/84/1118316184.db2.gz DWYHRASBIZLIHE-UXLLHSPISA-N 0 1 298.434 3.572 20 0 CHADMN COC[C@H](N[C@@H]1CCC[C@@H]1F)c1cccc(Cl)c1 ZINC000340524614 1118317479 /nfs/dbraw/zinc/31/74/79/1118317479.db2.gz DEIGHLKAUWRJPF-MJBXVCDLSA-N 0 1 271.763 3.508 20 0 CHADMN Cc1scc(CNCc2nc3ccccc3n2C)c1C ZINC000399794814 1118317654 /nfs/dbraw/zinc/31/76/54/1118317654.db2.gz ZEGDJIVWLLMKIQ-UHFFFAOYSA-N 0 1 285.416 3.541 20 0 CHADMN CN(C)c1ccc(CN(C)Cc2ccsc2)s1 ZINC001138494122 1128769454 /nfs/dbraw/zinc/76/94/54/1128769454.db2.gz JUWWSUFDYOCILJ-UHFFFAOYSA-N 0 1 266.435 3.508 20 0 CHADMN Cc1ccc(C[C@H]2CCC[N@H+]2CCCCCC(=O)[O-])cc1 ZINC000568060996 1118321817 /nfs/dbraw/zinc/32/18/17/1118321817.db2.gz WAIAIOJFGDMDJU-QGZVFWFLSA-N 0 1 289.419 3.647 20 0 CHADMN CC1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000041362373 1118321903 /nfs/dbraw/zinc/32/19/03/1118321903.db2.gz AQCSTXKJVLLSDB-UHFFFAOYSA-N 0 1 256.349 3.574 20 0 CHADMN CCCCN1C(=O)N=NC1S[C@@H]1CCc2ccccc21 ZINC000683737841 1118323209 /nfs/dbraw/zinc/32/32/09/1118323209.db2.gz WNLLJVZUBURKNO-CYBMUJFWSA-N 0 1 289.404 3.563 20 0 CHADMN C[C@H](NC1(c2c(F)cccc2F)CCC1)[C@H]1CCCO1 ZINC000624345886 1118325267 /nfs/dbraw/zinc/32/52/67/1118325267.db2.gz ZIISIRMABMRGQQ-SMDDNHRTSA-N 0 1 281.346 3.501 20 0 CHADMN CC(C)CCc1noc(CN(C)C2CCC(C)CC2)n1 ZINC000064508032 1118326284 /nfs/dbraw/zinc/32/62/84/1118326284.db2.gz AMGARFUTWJUPQE-UHFFFAOYSA-N 0 1 279.428 3.669 20 0 CHADMN CC[C@@H]1C[C@H](C)CC[C@@H]1NCc1ncn(-c2ccccc2)n1 ZINC000340536715 1118331788 /nfs/dbraw/zinc/33/17/88/1118331788.db2.gz QPTJUNARYCWCRD-INMHGKMJSA-N 0 1 298.434 3.572 20 0 CHADMN CC[C@@H]1C[C@@H](C)CC[C@H]1NCc1ncn(-c2ccccc2)n1 ZINC000340536721 1118332221 /nfs/dbraw/zinc/33/22/21/1118332221.db2.gz QPTJUNARYCWCRD-ZMSDIMECSA-N 0 1 298.434 3.572 20 0 CHADMN COc1ccc(-c2nc(CN3CCCC[C@@H]3C)co2)cc1 ZINC000042738012 1118338618 /nfs/dbraw/zinc/33/86/18/1118338618.db2.gz BFHUMMTZEYJHNG-ZDUSSCGKSA-N 0 1 286.375 3.725 20 0 CHADMN Oc1ccc(Cl)cc1-c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656049730 1118340646 /nfs/dbraw/zinc/34/06/46/1118340646.db2.gz PSJUFARIJQKLLC-IEBDPFPHSA-N 0 1 290.750 3.999 20 0 CHADMN Cc1ccccc1C1CCN(Cc2ccc(F)nc2)CC1 ZINC000189331487 1128771256 /nfs/dbraw/zinc/77/12/56/1128771256.db2.gz RJNPQMNWNLQFOC-UHFFFAOYSA-N 0 1 284.378 3.909 20 0 CHADMN CC(C)c1noc([C@H](C)N(C)C[C@@H](C)c2ccccc2)n1 ZINC000066854655 1118348311 /nfs/dbraw/zinc/34/83/11/1118348311.db2.gz VGJBQDFVYBJBJF-KGLIPLIRSA-N 0 1 287.407 3.990 20 0 CHADMN c1coc(-c2cc(-c3nc([C@@H]4CCC[C@@H]5C[C@@H]54)no3)[nH]n2)c1 ZINC000656063264 1118348237 /nfs/dbraw/zinc/34/82/37/1118348237.db2.gz WMYOSAWMKSGIMG-MXWKQRLJSA-N 0 1 296.330 3.623 20 0 CHADMN Cc1nc([C@@H](C)S[C@H](C)c2ccc(F)cc2)n[nH]1 ZINC000412992517 1118350447 /nfs/dbraw/zinc/35/04/47/1118350447.db2.gz MQYXAOSOLWPVOW-RKDXNWHRSA-N 0 1 265.357 3.808 20 0 CHADMN CN1Cc2ccc(NCc3ccc4cnccc4c3)cc2C1 ZINC000683772096 1118353592 /nfs/dbraw/zinc/35/35/92/1118353592.db2.gz FPHXZVBAAYOVCS-UHFFFAOYSA-N 0 1 289.382 3.792 20 0 CHADMN CCOC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(C)C ZINC000189351532 1128771957 /nfs/dbraw/zinc/77/19/57/1128771957.db2.gz AKUAINPTPIFVRX-SMDDNHRTSA-N 0 1 285.815 3.757 20 0 CHADMN C[N@@H+](Cc1c[nH]c2cccc(O)c12)Cc1ccc(F)cc1 ZINC001140230963 1118357073 /nfs/dbraw/zinc/35/70/73/1118357073.db2.gz CFXROGKRCUZIBA-UHFFFAOYSA-N 0 1 284.334 3.645 20 0 CHADMN CN(Cc1c[nH]c2cccc(O)c12)Cc1ccc(F)cc1 ZINC001140230963 1118357078 /nfs/dbraw/zinc/35/70/78/1118357078.db2.gz CFXROGKRCUZIBA-UHFFFAOYSA-N 0 1 284.334 3.645 20 0 CHADMN Clc1ccccc1C[C@@H]1CCCN1Cc1ccno1 ZINC000067968524 1118358236 /nfs/dbraw/zinc/35/82/36/1118358236.db2.gz DKNHZGXJPPJYED-ZDUSSCGKSA-N 0 1 276.767 3.535 20 0 CHADMN COc1cccc([C@H]2C[C@H](N(C)Cc3ccns3)C2)c1 ZINC000639251683 1118359233 /nfs/dbraw/zinc/35/92/33/1118359233.db2.gz CVYNLOUWAYNKDJ-HDJSIYSDSA-N 0 1 288.416 3.530 20 0 CHADMN CC(C)C[C@H](C[N@@H+](CC(=O)[O-])C1CCC1)c1ccccc1 ZINC000656101724 1118359856 /nfs/dbraw/zinc/35/98/56/1118359856.db2.gz RZPNJPTZAGIOST-MRXNPFEDSA-N 0 1 289.419 3.755 20 0 CHADMN Cc1nc([C@H](C)NCC2(C(F)(F)F)CC2)c(C)s1 ZINC000671768094 1118362913 /nfs/dbraw/zinc/36/29/13/1118362913.db2.gz YXPKWTASCOPRQG-ZETCQYMHSA-N 0 1 278.343 3.753 20 0 CHADMN OC[C@@H](NCc1ccc(C2CCC2)cc1)c1cccc(F)c1 ZINC000683784808 1118363186 /nfs/dbraw/zinc/36/31/86/1118363186.db2.gz HHDRBGSVSYTKTE-LJQANCHMSA-N 0 1 299.389 3.916 20 0 CHADMN CCc1ccc([C@@H]2CCCCC[N@H+]2CC2(C(=O)[O-])CC2)o1 ZINC000568067295 1118363191 /nfs/dbraw/zinc/36/31/91/1118363191.db2.gz RCMAHRWGTCSFTA-AWEZNQCLSA-N 0 1 291.391 3.624 20 0 CHADMN Fc1ccc(CN2CCCC[C@@H]2c2ccccc2)cn1 ZINC000779169515 1128773102 /nfs/dbraw/zinc/77/31/02/1128773102.db2.gz PPXHBBRCZWCSBX-MRXNPFEDSA-N 0 1 270.351 3.948 20 0 CHADMN CCCCN(C)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000072862103 1118376409 /nfs/dbraw/zinc/37/64/09/1118376409.db2.gz CSPOQOXDWDCGIQ-LBPRGKRZSA-N 0 1 259.353 3.530 20 0 CHADMN FC(F)(F)CCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000072980257 1118377700 /nfs/dbraw/zinc/37/77/00/1118377700.db2.gz PBTLHZVMTMTASE-LLVKDONJSA-N 0 1 293.354 3.682 20 0 CHADMN CC[N@@H+](CC(=O)OC(C)(C)C)[C@H](C)CCC=C(C)C ZINC001258099013 1128773548 /nfs/dbraw/zinc/77/35/48/1128773548.db2.gz HALRWYYXMHTUHE-CQSZACIVSA-N 0 1 269.429 3.785 20 0 CHADMN CCN(CC(=O)OC(C)(C)C)[C@H](C)CCC=C(C)C ZINC001258099013 1128773551 /nfs/dbraw/zinc/77/35/51/1128773551.db2.gz HALRWYYXMHTUHE-CQSZACIVSA-N 0 1 269.429 3.785 20 0 CHADMN CN(Cc1cccs1)Cc1ccccc1OC(F)F ZINC000073603115 1118383419 /nfs/dbraw/zinc/38/34/19/1118383419.db2.gz SMNGYTNRGCPNJV-UHFFFAOYSA-N 0 1 283.343 3.982 20 0 CHADMN CO[C@@H](c1ccccc1)[C@@H](C)NCc1ccc(Cl)o1 ZINC000683815241 1118383547 /nfs/dbraw/zinc/38/35/47/1118383547.db2.gz BOGFSBYFNLIVFZ-IAQYHMDHSA-N 0 1 279.767 3.799 20 0 CHADMN CCc1ccc(-c2noc(CN(C)[C@@H](C)C3CC3)n2)cc1 ZINC000073779673 1118384588 /nfs/dbraw/zinc/38/45/88/1118384588.db2.gz SSCADCRZIUWZRL-LBPRGKRZSA-N 0 1 285.391 3.529 20 0 CHADMN CO[C@@H](c1ccccc1)[C@@H](C)NCc1nc(C)c(C)s1 ZINC000683818256 1118387265 /nfs/dbraw/zinc/38/72/65/1118387265.db2.gz DZHZYWSFSMOZNA-MLGOLLRUSA-N 0 1 290.432 3.626 20 0 CHADMN CC(C)n1ccc(CNCc2cccc3ccccc32)n1 ZINC000084225544 1118389506 /nfs/dbraw/zinc/38/95/06/1118389506.db2.gz BPQARYQPQUGKAK-UHFFFAOYSA-N 0 1 279.387 3.907 20 0 CHADMN CCC(C)=Nc1cc(Br)cnc1Cl ZINC001210792471 1118389671 /nfs/dbraw/zinc/38/96/71/1118389671.db2.gz LBOBVGPAEAKBSW-ZZXKWVIFSA-N 0 1 261.550 3.833 20 0 CHADMN Cc1cc(C#N)ccc1CN(C)Cc1ccc(Cl)nc1 ZINC000186251126 1118401472 /nfs/dbraw/zinc/40/14/72/1118401472.db2.gz BKSQGVRQZVLEEJ-UHFFFAOYSA-N 0 1 285.778 3.547 20 0 CHADMN CCOc1ccc(NC(=O)c2c(O)cccc2Cl)cc1 ZINC000049082204 1118423917 /nfs/dbraw/zinc/42/39/17/1118423917.db2.gz NGXPXAYCOCMRNB-UHFFFAOYSA-N 0 1 291.734 3.697 20 0 CHADMN Cc1ccnnc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210925689 1118424589 /nfs/dbraw/zinc/42/45/89/1118424589.db2.gz AEHXGLUSFLWMJO-UHFFFAOYSA-N 0 1 270.119 3.541 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccsc1)c1cccc(Cl)c1 ZINC000349315832 1118425507 /nfs/dbraw/zinc/42/55/07/1118425507.db2.gz VOCJQJMBUHSEDA-HZMBPMFUSA-N 0 1 281.808 3.786 20 0 CHADMN CSC1CCN(Cc2cc(Cl)cc3c2OCC3)CC1 ZINC001207083407 1118426656 /nfs/dbraw/zinc/42/66/56/1118426656.db2.gz MBJDLTNRISIDHU-UHFFFAOYSA-N 0 1 297.851 3.602 20 0 CHADMN CCN(Cc1ccccc1)Cc1ccnc(Cl)c1 ZINC000050165830 1118434467 /nfs/dbraw/zinc/43/44/67/1118434467.db2.gz XNVISIRUCHICNU-UHFFFAOYSA-N 0 1 260.768 3.757 20 0 CHADMN CC(C)=CCN[C@@H](C)c1cc(Br)ncc1F ZINC000276932001 1118434975 /nfs/dbraw/zinc/43/49/75/1118434975.db2.gz SHRUHICCBQZZKY-VIFPVBQESA-N 0 1 287.176 3.600 20 0 CHADMN CCOc1ncccc1CNCc1ccc(C(C)C)cc1 ZINC000128882724 1118439852 /nfs/dbraw/zinc/43/98/52/1118439852.db2.gz JUDGSPWYQJPDLY-UHFFFAOYSA-N 0 1 284.403 3.894 20 0 CHADMN C[C@@H]1CO[C@H](c2ccccc2)CN1CCCOC(C)(C)C ZINC000674906635 1118440068 /nfs/dbraw/zinc/44/00/68/1118440068.db2.gz IIYNFVYSWQNWCG-WBVHZDCISA-N 0 1 291.435 3.654 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@H](c2ccncc2)C1 ZINC000580396563 1118444643 /nfs/dbraw/zinc/44/46/43/1118444643.db2.gz PHKVWLFBWPWANS-ZFWWWQNUSA-N 0 1 299.418 3.918 20 0 CHADMN Fc1cc(NCc2[nH]nc3ccccc32)ccc1Cl ZINC000683930886 1118449154 /nfs/dbraw/zinc/44/91/54/1118449154.db2.gz HEYCDGNHMJVMOO-UHFFFAOYSA-N 0 1 275.714 3.968 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2cc3ccccc3[nH]2)n[nH]1 ZINC000683931232 1118450398 /nfs/dbraw/zinc/45/03/98/1118450398.db2.gz WWXPNANMOYVYEQ-VXGBXAGGSA-N 0 1 297.406 3.650 20 0 CHADMN Cc1nccc(N2CCC[C@H](OC3CCC3)C2)c1Cl ZINC000656217788 1118454112 /nfs/dbraw/zinc/45/41/12/1118454112.db2.gz STEVTICXTBNKLE-ZDUSSCGKSA-N 0 1 280.799 3.581 20 0 CHADMN Cc1nnsc1CN[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000293752801 1118456718 /nfs/dbraw/zinc/45/67/18/1118456718.db2.gz RMAFKTSMSCQHBN-NSHDSACASA-N 0 1 289.448 3.995 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](CCC2CCCCCC2)C1 ZINC000394578093 1118460080 /nfs/dbraw/zinc/46/00/80/1118460080.db2.gz QSEDILDEZQFEPW-QGZVFWFLSA-N 0 1 281.440 3.780 20 0 CHADMN CN(CCC(=O)C(C)(C)C)Cc1cccc(Cl)c1 ZINC000054026567 1118465243 /nfs/dbraw/zinc/46/52/43/1118465243.db2.gz XIYSYSXISQYDNA-UHFFFAOYSA-N 0 1 267.800 3.777 20 0 CHADMN Cc1ccc([C@H]2COCCN2CC23CCC(CC2)C3)o1 ZINC001167413551 1118469000 /nfs/dbraw/zinc/46/90/00/1118469000.db2.gz WQBDTPJOMYFVKE-ISXOHVOVSA-N 0 1 275.392 3.542 20 0 CHADMN CCc1nocc1CN(C)[C@@H](C)CSc1ccccc1 ZINC000660908827 1118473474 /nfs/dbraw/zinc/47/34/74/1118473474.db2.gz GDGSOZCBCOCWHI-ZDUSSCGKSA-N 0 1 290.432 3.850 20 0 CHADMN COCCN(C)Cc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000656248695 1118476273 /nfs/dbraw/zinc/47/62/73/1118476273.db2.gz YKSVDMMDLOQTNX-UHFFFAOYSA-N 0 1 290.432 3.505 20 0 CHADMN CC(C)c1cc(C(=O)N2CCC[C@H]2CC2CCCC2)n[nH]1 ZINC000655367483 1118480008 /nfs/dbraw/zinc/48/00/08/1118480008.db2.gz NMUKXKLIOJZMMS-AWEZNQCLSA-N 0 1 289.423 3.718 20 0 CHADMN Cc1cc2nc(-c3c(C)cccc3O)[nH]c2c(C)c1 ZINC000706637263 1118482816 /nfs/dbraw/zinc/48/28/16/1118482816.db2.gz NXWVPMWTBLVRJB-UHFFFAOYSA-N 0 1 252.317 3.861 20 0 CHADMN C[C@@H](CN1CC2(CC2(F)F)C1)c1cccc(Cl)c1 ZINC000656265744 1118486628 /nfs/dbraw/zinc/48/66/28/1118486628.db2.gz ZFPCUQJCMJQUAH-JTQLQIEISA-N 0 1 271.738 3.785 20 0 CHADMN FC1(F)CC12CN(Cc1ccc3ccccc3c1)C2 ZINC000656266890 1118487696 /nfs/dbraw/zinc/48/76/96/1118487696.db2.gz KUFYLAPDQYSLHQ-UHFFFAOYSA-N 0 1 259.299 3.681 20 0 CHADMN COc1c(C)cccc1CNCc1cc(C)c(O)c(C)c1 ZINC000656268840 1118489090 /nfs/dbraw/zinc/48/90/90/1118489090.db2.gz ICPOHTXDZVIRGW-UHFFFAOYSA-N 0 1 285.387 3.616 20 0 CHADMN COC[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000089668701 1118491742 /nfs/dbraw/zinc/49/17/42/1118491742.db2.gz YKYPGIURIRLMFW-ZWKOTPCHSA-N 0 1 285.362 3.790 20 0 CHADMN COc1cnccc1Nc1ccc(C)c(C(F)(F)F)c1 ZINC001211263301 1118492438 /nfs/dbraw/zinc/49/24/38/1118492438.db2.gz ZYVCGMDNKKBXHS-UHFFFAOYSA-N 0 1 282.265 3.583 20 0 CHADMN COc1cnccc1Nc1ccc(-c2ccco2)cc1 ZINC001211263357 1118492494 /nfs/dbraw/zinc/49/24/94/1118492494.db2.gz MZAMFTYKVYSNHU-UHFFFAOYSA-N 0 1 266.300 3.516 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000580720188 1118495213 /nfs/dbraw/zinc/49/52/13/1118495213.db2.gz HUGRRFDUVBCLMR-QWRGUYRKSA-N 0 1 295.345 3.540 20 0 CHADMN CCC1CCN(Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000352384430 1118497962 /nfs/dbraw/zinc/49/79/62/1118497962.db2.gz VGTYDYUKCKATCF-AWEZNQCLSA-N 0 1 280.437 3.617 20 0 CHADMN Cc1cc(F)c(-c2cc(F)c(O)cc2F)cc1F ZINC001211351626 1118506930 /nfs/dbraw/zinc/50/69/30/1118506930.db2.gz AAGDRHKNYMSISV-UHFFFAOYSA-N 0 1 256.198 3.924 20 0 CHADMN C[C@H]1CN(CCc2ccccc2Cl)CCC1(F)F ZINC000580862270 1118515343 /nfs/dbraw/zinc/51/53/43/1118515343.db2.gz ORSCELHONGDHQN-NSHDSACASA-N 0 1 273.754 3.860 20 0 CHADMN NC1(c2noc([C@H]3CC34CCCCC4)n2)CCCCC1 ZINC000580887596 1118517756 /nfs/dbraw/zinc/51/77/56/1118517756.db2.gz VUAXRFVGQPFDEO-GFCCVEGCSA-N 0 1 275.396 3.626 20 0 CHADMN Cc1csc(CCNCc2ncc(C(C)(C)C)s2)n1 ZINC000684112167 1118523095 /nfs/dbraw/zinc/52/30/95/1118523095.db2.gz YMXKYDFIQHPUGH-UHFFFAOYSA-N 0 1 295.477 3.538 20 0 CHADMN ClC1(Cl)C[C@@H]1CNc1ccc2cnccc2c1 ZINC000834681141 1118523930 /nfs/dbraw/zinc/52/39/30/1118523930.db2.gz YKUUWFOZWPESGI-LLVKDONJSA-N 0 1 267.159 3.841 20 0 CHADMN ClC1(Cl)C[C@H]1CNc1ccc2cnccc2c1 ZINC000834681142 1118523971 /nfs/dbraw/zinc/52/39/71/1118523971.db2.gz YKUUWFOZWPESGI-NSHDSACASA-N 0 1 267.159 3.841 20 0 CHADMN C[C@H](Cc1nc(-c2ccn3cncc3c2)no1)CC(C)(C)C ZINC000684116521 1118525611 /nfs/dbraw/zinc/52/56/11/1118525611.db2.gz HRGRSDLFOROGEG-GFCCVEGCSA-N 0 1 298.390 3.999 20 0 CHADMN C/C(=C\c1nc(-c2ccn3cncc3c2)no1)C(C)(C)C ZINC000684118459 1118526050 /nfs/dbraw/zinc/52/60/50/1118526050.db2.gz VXYALTLOWKFBAF-YRNVUSSQSA-N 0 1 282.347 3.834 20 0 CHADMN c1cc(CNCC(c2ccccc2)c2ccccc2)no1 ZINC000221316548 1118530321 /nfs/dbraw/zinc/53/03/21/1118530321.db2.gz NTQGSNLNNDQTAA-UHFFFAOYSA-N 0 1 278.355 3.596 20 0 CHADMN CC(C)C1(C)CCN(Cc2coc(C3CC3)n2)CC1 ZINC000779193882 1128783764 /nfs/dbraw/zinc/78/37/64/1128783764.db2.gz UUSZMHZGELHFNX-UHFFFAOYSA-N 0 1 262.397 3.810 20 0 CHADMN Cc1cc(OCc2cc(-c3cccs3)on2)cc(C)n1 ZINC000128153882 1118537681 /nfs/dbraw/zinc/53/76/81/1118537681.db2.gz HINOSHDYQYIYDF-UHFFFAOYSA-N 0 1 286.356 3.994 20 0 CHADMN Clc1cc(CNCCOC2CCC2)c(Cl)s1 ZINC000690708107 1118539761 /nfs/dbraw/zinc/53/97/61/1118539761.db2.gz VYZHUUIUZMHCSX-UHFFFAOYSA-N 0 1 280.220 3.714 20 0 CHADMN CCN(Cc1c(F)cc(C)cc1Cl)C[C@H]1CCOC1 ZINC000656415831 1118542773 /nfs/dbraw/zinc/54/27/73/1118542773.db2.gz RTIKEXRLJURGIW-GFCCVEGCSA-N 0 1 285.790 3.646 20 0 CHADMN Cc1ccc(-c2cc(-c3nc(CC4CCCC4)no3)[nH]n2)o1 ZINC000340908112 1118551573 /nfs/dbraw/zinc/55/15/73/1118551573.db2.gz MTIHHNVBUJXDMY-UHFFFAOYSA-N 0 1 298.346 3.761 20 0 CHADMN Oc1ccc2c(c1)CN([C@@H]1CCCc3ccc(F)cc31)CC2 ZINC000510380956 1118558997 /nfs/dbraw/zinc/55/89/97/1118558997.db2.gz VJVQRTUHLLZWSK-LJQANCHMSA-N 0 1 297.373 3.967 20 0 CHADMN CCOc1ccc([C@H](C)NCc2cnc(C3CC3)nc2)cc1 ZINC000656471491 1118560983 /nfs/dbraw/zinc/56/09/83/1118560983.db2.gz SBQWSVWXFKXGCY-ZDUSSCGKSA-N 0 1 297.402 3.604 20 0 CHADMN Cc1cc2[nH]c(-c3ccc(C(C)C)nc3)nc(=O)c2s1 ZINC000656490378 1118564671 /nfs/dbraw/zinc/56/46/71/1118564671.db2.gz BLEFFARYVZGXEL-UHFFFAOYSA-N 0 1 285.372 3.891 20 0 CHADMN Cc1nc2ccc(NC(=O)CCC3CCCC3)cc2[nH]1 ZINC000340982342 1118569024 /nfs/dbraw/zinc/56/90/24/1118569024.db2.gz ZSOXIVWRHFOJIG-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)Cc2ccc(O)cc2)o1 ZINC000349404113 1118574380 /nfs/dbraw/zinc/57/43/80/1118574380.db2.gz DYEKCQAGCFMHCF-MLGOLLRUSA-N 0 1 271.360 3.741 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2ccc(O)cc2)o1 ZINC000349404113 1118574385 /nfs/dbraw/zinc/57/43/85/1118574385.db2.gz DYEKCQAGCFMHCF-MLGOLLRUSA-N 0 1 271.360 3.741 20 0 CHADMN c1ccc(-c2noc([C@@H]3CC[C@@H]4CCCC[C@@H]4N3)n2)cc1 ZINC000091355323 1118578864 /nfs/dbraw/zinc/57/88/64/1118578864.db2.gz SMYYADUJVYYQIS-QEJZJMRPSA-N 0 1 283.375 3.720 20 0 CHADMN CCCCCN1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000510420782 1118585446 /nfs/dbraw/zinc/58/54/46/1118585446.db2.gz RRCRSOVVRIUACH-UHFFFAOYSA-N 0 1 287.382 3.560 20 0 CHADMN CCOCc1ccccc1CN[C@@H]1CCCc2cccnc21 ZINC000316892246 1118592170 /nfs/dbraw/zinc/59/21/70/1118592170.db2.gz WPDRVDAYLHAVMP-GOSISDBHSA-N 0 1 296.414 3.785 20 0 CHADMN CC1CCC(O)(CNCc2c(F)cccc2Cl)CC1 ZINC000087044414 1118592732 /nfs/dbraw/zinc/59/27/32/1118592732.db2.gz RZHRFJKQXYSWCY-UHFFFAOYSA-N 0 1 285.790 3.510 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2ccc(C3CC3)cc2)n1 ZINC000656561060 1118595485 /nfs/dbraw/zinc/59/54/85/1118595485.db2.gz PDFBDRJYNSERFA-CQSZACIVSA-N 0 1 271.364 3.660 20 0 CHADMN CC1=CC[C@@](C)(c2nc([C@@H](N)CC(C)C)no2)CC1 ZINC000656560740 1118595681 /nfs/dbraw/zinc/59/56/81/1118595681.db2.gz HEFPMUCXSBHZEE-SWLSCSKDSA-N 0 1 263.385 3.503 20 0 CHADMN Cc1ccnc(NC[C@@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000341060900 1118598225 /nfs/dbraw/zinc/59/82/25/1118598225.db2.gz ZVLWQPJQJXYVHV-HOTGVXAUSA-N 0 1 268.360 3.722 20 0 CHADMN c1c[nH]c([C@H]2CCCN2Cc2nccc3c2CCCC3)c1 ZINC000891404201 1118598630 /nfs/dbraw/zinc/59/86/30/1118598630.db2.gz DRFVUQLSIMTJJE-GOSISDBHSA-N 0 1 281.403 3.626 20 0 CHADMN Cc1cnc(CN[C@H](c2ccc(Cl)cc2)C(C)C)n1C ZINC000341115367 1118603664 /nfs/dbraw/zinc/60/36/64/1118603664.db2.gz GSHFYZGGEJXYQJ-INIZCTEOSA-N 0 1 291.826 3.869 20 0 CHADMN CSc1ccc(CN(C)Cc2cc(C#N)cs2)cc1 ZINC000160916929 1118604800 /nfs/dbraw/zinc/60/48/00/1118604800.db2.gz RIHDWNGWISRJDO-UHFFFAOYSA-N 0 1 288.441 3.974 20 0 CHADMN CC[C@H]1CCCN1Cc1csc(-c2ccco2)n1 ZINC000341170417 1118610108 /nfs/dbraw/zinc/61/01/08/1118610108.db2.gz PTEUXPHBRFQACE-LBPRGKRZSA-N 0 1 262.378 3.778 20 0 CHADMN C[N@H+](Cc1ccon1)C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001207189798 1118612706 /nfs/dbraw/zinc/61/27/06/1118612706.db2.gz FJMAUNGRQFEPOH-IUODEOHRSA-N 0 1 276.767 3.564 20 0 CHADMN CN(Cc1ccon1)C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001207189798 1118612707 /nfs/dbraw/zinc/61/27/07/1118612707.db2.gz FJMAUNGRQFEPOH-IUODEOHRSA-N 0 1 276.767 3.564 20 0 CHADMN COc1ccc2nc(-c3cccc(F)c3C)[nH]c2c1 ZINC000398675323 1118613130 /nfs/dbraw/zinc/61/31/30/1118613130.db2.gz GUICEUQHDOGFCW-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN Cc1ccccc1CC1CN(Cc2ccc3c(n2)CCC3)C1 ZINC000656649122 1118618946 /nfs/dbraw/zinc/61/89/46/1118618946.db2.gz VUFIWBBAMZALJO-UHFFFAOYSA-N 0 1 292.426 3.553 20 0 CHADMN CCN1C[C@H](C)N(C(=O)C(C)(C)C2CCCCC2)C[C@H]1C ZINC001127595755 1128789401 /nfs/dbraw/zinc/78/94/01/1128789401.db2.gz VZCBNIFDNOXGCW-CABCVRRESA-N 0 1 294.483 3.534 20 0 CHADMN Cc1cc(CN2CC(CC(F)(F)F)C2)c(C)s1 ZINC000656686297 1118635377 /nfs/dbraw/zinc/63/53/77/1118635377.db2.gz BKUBVNNOMSPIIH-UHFFFAOYSA-N 0 1 263.328 3.749 20 0 CHADMN C[C@H](NCc1c(C2CC2)cnn1C)c1cccc(Cl)c1 ZINC000656686996 1118636486 /nfs/dbraw/zinc/63/64/86/1118636486.db2.gz IRYGCJSMMBVKGT-NSHDSACASA-N 0 1 289.810 3.802 20 0 CHADMN CC(C)(C)c1ccc(CN2CC3(CC(F)C3)C2)s1 ZINC000656693803 1118638193 /nfs/dbraw/zinc/63/81/93/1118638193.db2.gz CPLNBBFSRBCMOK-UHFFFAOYSA-N 0 1 267.413 3.980 20 0 CHADMN C[C@@H](CN1CC2(CC(F)C2)C1)c1cccc(Cl)c1 ZINC000656695300 1118638378 /nfs/dbraw/zinc/63/83/78/1118638378.db2.gz GYOGGLFPDRRPKG-NSHDSACASA-N 0 1 267.775 3.877 20 0 CHADMN O[C@H](CC1CCCC1)CN1CC[C@@H]1c1ccc(F)cc1 ZINC000656708979 1118641445 /nfs/dbraw/zinc/64/14/45/1118641445.db2.gz SGUUXCHBVGSWFF-IAGOWNOFSA-N 0 1 277.383 3.514 20 0 CHADMN C[C@H](C[N@@H+](CCCC1CCC1)Cc1ccccc1)C(=O)[O-] ZINC000656757015 1118650361 /nfs/dbraw/zinc/65/03/61/1118650361.db2.gz QLJYIFFXXPQTHW-OAHLLOKOSA-N 0 1 289.419 3.790 20 0 CHADMN Cc1cccc(N2CCN([C@@H](C)c3cccnc3)CC2)c1C ZINC000341282716 1118651441 /nfs/dbraw/zinc/65/14/41/1118651441.db2.gz XVVRJJXKIDXFTH-KRWDZBQOSA-N 0 1 295.430 3.582 20 0 CHADMN Cc1cc(C[N@H+]2CCC(C)(C)CC(C)(C)C2)oc1C(=O)[O-] ZINC000656762783 1118651959 /nfs/dbraw/zinc/65/19/59/1118651959.db2.gz HAIMZBLTEWWLPN-UHFFFAOYSA-N 0 1 293.407 3.934 20 0 CHADMN CC(C)(C)CCC[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000656765336 1118652545 /nfs/dbraw/zinc/65/25/45/1118652545.db2.gz KGGCDRBYZPYTAQ-SOUVJXGZSA-N 0 1 281.440 3.778 20 0 CHADMN Cc1ccnc(NCc2cnc(C(C)(C)C)nc2)c1C1CC1 ZINC000656780009 1118654535 /nfs/dbraw/zinc/65/45/35/1118654535.db2.gz YZOYYWIVCCVCAK-UHFFFAOYSA-N 0 1 296.418 3.967 20 0 CHADMN Cc1ccnc(NCc2ccc3[nH]cnc3c2)c1C1CC1 ZINC000656779326 1118655781 /nfs/dbraw/zinc/65/57/81/1118655781.db2.gz MPGRARORFORVQN-UHFFFAOYSA-N 0 1 278.359 3.756 20 0 CHADMN Cc1ccnc(NCc2ccc(-c3cc[nH]n3)o2)c1C1CC1 ZINC000656779307 1118655889 /nfs/dbraw/zinc/65/58/89/1118655889.db2.gz LUJQWDNFHDSHOB-UHFFFAOYSA-N 0 1 294.358 3.863 20 0 CHADMN CCc1cnc(CNc2nccc(C)c2C2CC2)s1 ZINC000656779296 1118655936 /nfs/dbraw/zinc/65/59/36/1118655936.db2.gz LHGVLOKPCXULFZ-UHFFFAOYSA-N 0 1 273.405 3.898 20 0 CHADMN Cc1nc(C)c(CN[C@@H](c2ccccn2)C(C)C)s1 ZINC000076902735 1118656237 /nfs/dbraw/zinc/65/62/37/1118656237.db2.gz UGSPEZSCUWROOU-OAHLLOKOSA-N 0 1 275.421 3.642 20 0 CHADMN CC/C=C\CC[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000341325297 1118665886 /nfs/dbraw/zinc/66/58/86/1118665886.db2.gz YXKVQNAUJPYZHS-PLNGDYQASA-N 0 1 269.392 3.865 20 0 CHADMN CC/C=C\CCN(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000341325297 1118665887 /nfs/dbraw/zinc/66/58/87/1118665887.db2.gz YXKVQNAUJPYZHS-PLNGDYQASA-N 0 1 269.392 3.865 20 0 CHADMN CCN1C[C@H](C)N(C(=O)C[C@@H](C)C2CCCCC2)C[C@@H]1C ZINC001266797219 1118668709 /nfs/dbraw/zinc/66/87/09/1118668709.db2.gz ISJWJPJZKCGEFT-PMPSAXMXSA-N 0 1 294.483 3.534 20 0 CHADMN CCOc1ccc(CNCc2scnc2C)cc1Cl ZINC000341403949 1118692302 /nfs/dbraw/zinc/69/23/02/1118692302.db2.gz MAAMNKPNPCWDAL-UHFFFAOYSA-N 0 1 296.823 3.793 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H]2CCCSC2)cs1 ZINC000341402780 1118693196 /nfs/dbraw/zinc/69/31/96/1118693196.db2.gz RAKNXPIMQURNPM-GHMZBOCLSA-N 0 1 270.467 3.813 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(C)cc(C)n2)cc1 ZINC000723658404 1118693284 /nfs/dbraw/zinc/69/32/84/1118693284.db2.gz FTONNVZBXDVPRP-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1ncc([C@H](C)N[C@H]2CCc3cc(F)ccc32)s1 ZINC000090405992 1118695340 /nfs/dbraw/zinc/69/53/40/1118695340.db2.gz BYWMGYWBRBXYIU-XPTSAGLGSA-N 0 1 276.380 3.929 20 0 CHADMN Cc1cc(F)ncc1CN1CCC[C@@H]1c1cccs1 ZINC000891497026 1118696144 /nfs/dbraw/zinc/69/61/44/1118696144.db2.gz AYPWJGQGWOEKCX-CYBMUJFWSA-N 0 1 276.380 3.928 20 0 CHADMN O=[N+]([O-])c1ccc(F)cc1CN1CCCCCCC1 ZINC000051228750 1118701517 /nfs/dbraw/zinc/70/15/17/1118701517.db2.gz JITJWDDRBVJSCN-UHFFFAOYSA-N 0 1 266.316 3.500 20 0 CHADMN COc1c(C)cc(CN2CCC(F)(F)CC2)cc1C ZINC000684428317 1118703437 /nfs/dbraw/zinc/70/34/37/1118703437.db2.gz GIPWMYAZOHYSMI-UHFFFAOYSA-N 0 1 269.335 3.543 20 0 CHADMN Oc1ccc(CN2CCCCCC2)cc1C(F)(F)F ZINC000131940722 1118704081 /nfs/dbraw/zinc/70/40/81/1118704081.db2.gz BZOZULZRAHIEMT-UHFFFAOYSA-N 0 1 273.298 3.787 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3ccc(F)c(Cl)c3)C[C@@H]21 ZINC001167487677 1118725381 /nfs/dbraw/zinc/72/53/81/1118725381.db2.gz PQIFNNATGVJVEJ-PHIMTYICSA-N 0 1 253.748 3.567 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1cn2ccnc2s1 ZINC000891639998 1118728044 /nfs/dbraw/zinc/72/80/44/1118728044.db2.gz LOUTYLRQFAQZOR-SNVBAGLBSA-N 0 1 277.418 3.650 20 0 CHADMN CCC[C@@H]1CCCN(Cc2nc3cccnc3s2)C1 ZINC000341575496 1118744170 /nfs/dbraw/zinc/74/41/70/1118744170.db2.gz NKKUNNIWCCWEMQ-GFCCVEGCSA-N 0 1 275.421 3.703 20 0 CHADMN C[C@H](NCCCCCc1ccc(F)cc1)c1ncco1 ZINC000926219400 1118757055 /nfs/dbraw/zinc/75/70/55/1118757055.db2.gz ADCDNEWFPSXOHU-ZDUSSCGKSA-N 0 1 276.355 3.877 20 0 CHADMN C[C@H]1c2cccn2CCN1CCSCc1ccccc1 ZINC000430734492 1118765105 /nfs/dbraw/zinc/76/51/05/1118765105.db2.gz MROOMPVWJOHWFP-HNNXBMFYSA-N 0 1 286.444 3.798 20 0 CHADMN COc1ccccc1-n1nccc1CN1CCCC(C)(C)C1 ZINC000430745935 1118766793 /nfs/dbraw/zinc/76/67/93/1118766793.db2.gz PHCKPEFPZCSKCV-UHFFFAOYSA-N 0 1 299.418 3.503 20 0 CHADMN CC[C@]1(C)CC[N@@H+](Cc2ccnn2-c2ccccc2OC)C1 ZINC000430750564 1118767021 /nfs/dbraw/zinc/76/70/21/1118767021.db2.gz BTAYAAWAZWBOOW-GOSISDBHSA-N 0 1 299.418 3.503 20 0 CHADMN OCC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000087765502 1118767364 /nfs/dbraw/zinc/76/73/64/1118767364.db2.gz ZUYPSLFTQIPFAM-CYBMUJFWSA-N 0 1 288.218 3.730 20 0 CHADMN OCC[C@H]1CCCCN1Cc1cc(Cl)ccc1Cl ZINC000087765502 1118767366 /nfs/dbraw/zinc/76/73/66/1118767366.db2.gz ZUYPSLFTQIPFAM-CYBMUJFWSA-N 0 1 288.218 3.730 20 0 CHADMN CN(CCC1CCCC1)Cc1nc(-c2cccs2)no1 ZINC000510592625 1118771651 /nfs/dbraw/zinc/77/16/51/1118771651.db2.gz QUHGSMSWGPSAGG-UHFFFAOYSA-N 0 1 291.420 3.810 20 0 CHADMN O=c1[nH]c2ccccc2cc1CNC1(c2ccccc2)CC1 ZINC000341638185 1118774411 /nfs/dbraw/zinc/77/44/11/1118774411.db2.gz LBKDWXVSFHMUOE-UHFFFAOYSA-N 0 1 290.366 3.719 20 0 CHADMN COc1ccc2cc(C[N@H+]3CCO[C@@H]4CCC[C@H]43)ccc2c1 ZINC000510643229 1118780995 /nfs/dbraw/zinc/78/09/95/1118780995.db2.gz FFMKAEMFZRTVHP-RTBURBONSA-N 0 1 297.398 3.602 20 0 CHADMN COc1ccc2cc(CN3CCO[C@@H]4CCC[C@H]43)ccc2c1 ZINC000510643229 1118780998 /nfs/dbraw/zinc/78/09/98/1118780998.db2.gz FFMKAEMFZRTVHP-RTBURBONSA-N 0 1 297.398 3.602 20 0 CHADMN CCOc1ccc(C[N@@H+]2CC(C)=C[C@H](C)C2)cc1F ZINC000430873944 1118781118 /nfs/dbraw/zinc/78/11/18/1118781118.db2.gz BNJXSTDHYOXJRL-LBPRGKRZSA-N 0 1 263.356 3.622 20 0 CHADMN COc1ccc(CN2CCO[C@H]3CCC[C@H]32)c2ccccc12 ZINC000430881604 1118781652 /nfs/dbraw/zinc/78/16/52/1118781652.db2.gz CTAWYWSMARKVTI-MJGOQNOKSA-N 0 1 297.398 3.602 20 0 CHADMN Cc1nnsc1CN[C@@H](C)c1cccc2ccccc21 ZINC000293854355 1118789758 /nfs/dbraw/zinc/78/97/58/1118789758.db2.gz XKSIFZGYWZWHAR-NSHDSACASA-N 0 1 283.400 3.851 20 0 CHADMN Cc1cc(F)cc(NC(=O)c2ccc(O)c(Cl)c2)c1 ZINC000091516334 1118793934 /nfs/dbraw/zinc/79/39/34/1118793934.db2.gz SLEAIZNMMAILSU-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1nc2cccnc2s1 ZINC000341684290 1118795886 /nfs/dbraw/zinc/79/58/86/1118795886.db2.gz GTIKKLJOSCQEKQ-NSHDSACASA-N 0 1 295.477 3.655 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1nc2cccnc2s1 ZINC000341684289 1118796005 /nfs/dbraw/zinc/79/60/05/1118796005.db2.gz GTIKKLJOSCQEKQ-LLVKDONJSA-N 0 1 295.477 3.655 20 0 CHADMN C[C@@H](N[C@@H](C)CC(F)(F)F)c1cccc(F)c1F ZINC000090963440 1118818989 /nfs/dbraw/zinc/81/89/89/1118818989.db2.gz XHZCUHKRPJMPOI-JGVFFNPUSA-N 0 1 267.241 3.956 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[C@H](C)NC(CF)CF ZINC000449379404 1118819289 /nfs/dbraw/zinc/81/92/89/1118819289.db2.gz HZGJUVOQRCOLRI-UWVGGRQHSA-N 0 1 261.743 3.729 20 0 CHADMN [O-]c1cccc2c(NCc3ccc(F)c(F)c3)cc[nH+]c12 ZINC000684569666 1118851670 /nfs/dbraw/zinc/85/16/70/1118851670.db2.gz GRDPRABDBKUJBJ-UHFFFAOYSA-N 0 1 286.281 3.831 20 0 CHADMN [O-]c1cccc2c(N3CCC[C@@H]3c3ccccn3)cc[nH+]c12 ZINC000684570477 1118852920 /nfs/dbraw/zinc/85/29/20/1118852920.db2.gz UATKNULWSWHMGP-MRXNPFEDSA-N 0 1 291.354 3.677 20 0 CHADMN Cc1cc(F)ncc1CN1CC[C@H](c2cccc(F)c2)C1 ZINC000891944355 1118863297 /nfs/dbraw/zinc/86/32/97/1118863297.db2.gz ZRMKDPAGYGAODU-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1ccc(CNCc2ccc(C(F)(F)F)cc2)nc1 ZINC000133688433 1118865905 /nfs/dbraw/zinc/86/59/05/1118865905.db2.gz MRENVXXSQQNBCX-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN CC(C)[C@@H]1C[C@@H](Nc2cc[nH+]c3c([O-])cccc23)CCO1 ZINC000684581692 1118868663 /nfs/dbraw/zinc/86/86/63/1118868663.db2.gz ZXMWHGUNPBFHBS-LRDDRELGSA-N 0 1 286.375 3.556 20 0 CHADMN Cc1cc(-c2nc(C3(N)CCCCC3)no2)ccc1Cl ZINC000138428693 1118871650 /nfs/dbraw/zinc/87/16/50/1118871650.db2.gz BOCKZBBYSSLOBA-UHFFFAOYSA-N 0 1 291.782 3.817 20 0 CHADMN CCCc1csc(CN2CCC[C@H](C)[C@@H]2C)n1 ZINC000426418273 1118872194 /nfs/dbraw/zinc/87/21/94/1118872194.db2.gz WKDJNTMMTXZZKV-RYUDHWBXSA-N 0 1 252.427 3.716 20 0 CHADMN Cc1cccc2c1CC(C)(C)N(Cc1cncs1)C2 ZINC000449420195 1118880404 /nfs/dbraw/zinc/88/04/04/1118880404.db2.gz DTOYEZXNKIZRFG-UHFFFAOYSA-N 0 1 272.417 3.788 20 0 CHADMN c1n[nH]cc1CN1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000657139470 1118882645 /nfs/dbraw/zinc/88/26/45/1118882645.db2.gz KHUKUSXQSFLVTR-QGZVFWFLSA-N 0 1 281.403 3.917 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@@H](C)c2cscn2)C12CCCC2 ZINC000535777348 1118884439 /nfs/dbraw/zinc/88/44/39/1118884439.db2.gz BGGOJQYKOZDNOC-IACUBPJLSA-N 0 1 280.437 3.532 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1ccco1)c1ccccc1Cl ZINC000090453549 1118899664 /nfs/dbraw/zinc/89/96/64/1118899664.db2.gz LWSUNTFKBASXKI-NHYWBVRUSA-N 0 1 279.767 3.971 20 0 CHADMN CC(C)[C@@H]1C[N@H+]([C@@H](C)c2nc3ccccc3o2)CCS1 ZINC000181126197 1118903272 /nfs/dbraw/zinc/90/32/72/1118903272.db2.gz SQIMYAZVEZCODI-WFASDCNBSA-N 0 1 290.432 3.962 20 0 CHADMN CC(C)[C@@H]1CN([C@@H](C)c2nc3ccccc3o2)CCS1 ZINC000181126197 1118903273 /nfs/dbraw/zinc/90/32/73/1118903273.db2.gz SQIMYAZVEZCODI-WFASDCNBSA-N 0 1 290.432 3.962 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)N(C)Cc1cnc[nH]1 ZINC000684618101 1118906941 /nfs/dbraw/zinc/90/69/41/1118906941.db2.gz ZOSMDVMHUKTSLV-SECBINFHSA-N 0 1 284.190 3.910 20 0 CHADMN CN(Cc1c(Cl)oc2ccccc21)[C@H]1CCCOC1 ZINC000348712584 1118910536 /nfs/dbraw/zinc/91/05/36/1118910536.db2.gz UXPYINLAXVDIEV-NSHDSACASA-N 0 1 279.767 3.697 20 0 CHADMN CCc1nc([C@H](C)Sc2ccc(Cl)cc2)n[nH]1 ZINC000657228000 1118925852 /nfs/dbraw/zinc/92/58/52/1118925852.db2.gz NTLGPYBYOPRRJV-QMMMGPOBSA-N 0 1 267.785 3.874 20 0 CHADMN CCc1nc([C@@H](C)Sc2ccc(C)cc2C)n[nH]1 ZINC000657232042 1118926629 /nfs/dbraw/zinc/92/66/29/1118926629.db2.gz UHVRTLZWCSLJQK-LLVKDONJSA-N 0 1 261.394 3.837 20 0 CHADMN CCc1ccc(C)[nH+]c1Nc1cc(C)cc(C(=O)[O-])c1 ZINC001211534663 1118928867 /nfs/dbraw/zinc/92/88/67/1118928867.db2.gz CCYWXMAPTKKODO-UHFFFAOYSA-N 0 1 270.332 3.703 20 0 CHADMN Cc1nc(CNC2CC(c3ccc(F)cc3)C2)cs1 ZINC000041010529 1118929231 /nfs/dbraw/zinc/92/92/31/1118929231.db2.gz CILDOKIQEGLVJU-UHFFFAOYSA-N 0 1 276.380 3.626 20 0 CHADMN Clc1sccc1CSc1nc(C2CC2)n[nH]1 ZINC000657242210 1118931333 /nfs/dbraw/zinc/93/13/33/1118931333.db2.gz BIWULHLQHBRPNV-UHFFFAOYSA-N 0 1 271.798 3.689 20 0 CHADMN Clc1sccc1CSc1n[nH]c(C2CC2)n1 ZINC000657242210 1118931335 /nfs/dbraw/zinc/93/13/35/1118931335.db2.gz BIWULHLQHBRPNV-UHFFFAOYSA-N 0 1 271.798 3.689 20 0 CHADMN C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccc(F)cc1 ZINC000449459754 1118938764 /nfs/dbraw/zinc/93/87/64/1118938764.db2.gz LTTUKSUCBIQHSG-PWSUYJOCSA-N 0 1 275.289 3.989 20 0 CHADMN Clc1n[nH]c(C2CC2)c1CN1CC[C@@H](c2ccco2)C1 ZINC000892020220 1118938916 /nfs/dbraw/zinc/93/89/16/1118938916.db2.gz UDLQMCXCCYWLJW-LLVKDONJSA-N 0 1 291.782 3.523 20 0 CHADMN CC(C)(C)c1ccc(CN[C@H](CO)c2ccsc2)s1 ZINC000472079091 1118960041 /nfs/dbraw/zinc/96/00/41/1118960041.db2.gz GCMOVTBGYRWGDB-CYBMUJFWSA-N 0 1 295.473 3.930 20 0 CHADMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1nccn1C1CC1 ZINC000892084666 1118960628 /nfs/dbraw/zinc/96/06/28/1118960628.db2.gz BDKMRKVJOHIPNN-DZGCQCFKSA-N 0 1 299.393 3.735 20 0 CHADMN Cc1ccc(SCCNCc2nccn2C(C)C)cc1 ZINC000657294265 1118963177 /nfs/dbraw/zinc/96/31/77/1118963177.db2.gz KOGHGXNLRHQQMW-UHFFFAOYSA-N 0 1 289.448 3.654 20 0 CHADMN Cc1c[nH]c(CN[C@H](c2ccccc2)C(C)(C)C)n1 ZINC000657307871 1118979953 /nfs/dbraw/zinc/97/99/53/1118979953.db2.gz SSUWKKZFWWWBEJ-OAHLLOKOSA-N 0 1 257.381 3.595 20 0 CHADMN COc1cc(C)c(C[N@H+]2CCc3ccccc3C2)cc1OC ZINC000342335294 1118981874 /nfs/dbraw/zinc/98/18/74/1118981874.db2.gz QOHWUUXGKXZJDL-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN COc1cc(C)c(CN2CCc3ccccc3C2)cc1OC ZINC000342335294 1118981876 /nfs/dbraw/zinc/98/18/76/1118981876.db2.gz QOHWUUXGKXZJDL-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN C[C@H](Cc1cccnc1)N[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000934236420 1118986621 /nfs/dbraw/zinc/98/66/21/1118986621.db2.gz PEZWQHKMZDMWAO-OLZOCXBDSA-N 0 1 287.407 3.649 20 0 CHADMN C[C@@H](CC1CCC1)NCc1nc(C(C)(C)C)co1 ZINC000724394427 1118986718 /nfs/dbraw/zinc/98/67/18/1118986718.db2.gz LYYODSYVNHHCSC-NSHDSACASA-N 0 1 250.386 3.640 20 0 CHADMN CCSCC[C@@H](C)NCc1nc(C(C)(C)C)co1 ZINC000724394747 1118986993 /nfs/dbraw/zinc/98/69/93/1118986993.db2.gz NOCVBXLYEDVWKS-LLVKDONJSA-N 0 1 270.442 3.593 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2cnc(C)o2)cc1 ZINC000628122654 1128813876 /nfs/dbraw/zinc/81/38/76/1128813876.db2.gz HIBABBPYAZIPNR-KRWDZBQOSA-N 0 1 286.375 3.719 20 0 CHADMN c1cc(CNCc2csc3ccccc23)n(CC2CC2)n1 ZINC000657313286 1118987658 /nfs/dbraw/zinc/98/76/58/1118987658.db2.gz SBZXOKOKQJQCPC-UHFFFAOYSA-N 0 1 297.427 3.798 20 0 CHADMN Cc1cc2c(cc1C)[C@H](NCc1ccco1)CCCO2 ZINC000152039797 1118995955 /nfs/dbraw/zinc/99/59/55/1118995955.db2.gz SPWLHDOXTDWOSI-MRXNPFEDSA-N 0 1 271.360 3.900 20 0 CHADMN CS[C@H]1CCC[C@H](NCc2nc(C(C)(C)C)co2)C1 ZINC000724434322 1119001652 /nfs/dbraw/zinc/00/16/52/1119001652.db2.gz PBKMKQOIZBNKBI-RYUDHWBXSA-N 0 1 282.453 3.736 20 0 CHADMN CO[C@H](CNCc1ccc(F)c(F)c1F)c1ccccc1 ZINC000657325805 1119002038 /nfs/dbraw/zinc/00/20/38/1119002038.db2.gz IRNYBTIEDWHNEJ-CQSZACIVSA-N 0 1 295.304 3.581 20 0 CHADMN CC[C@@H]1C[C@@H](NCc2nc3cc(Cl)ccc3s2)CO1 ZINC000657329662 1119005624 /nfs/dbraw/zinc/00/56/24/1119005624.db2.gz AUTQZZLCYSQHOX-GHMZBOCLSA-N 0 1 296.823 3.607 20 0 CHADMN COCc1csc(CN[C@@H](C)c2cc(C)oc2C)c1 ZINC000657335092 1119007859 /nfs/dbraw/zinc/00/78/59/1119007859.db2.gz LEQBYXVJCLGWPP-NSHDSACASA-N 0 1 279.405 3.955 20 0 CHADMN C[C@H]1CN(Cc2cn3ccnc3s2)[C@@H]1c1ccccc1 ZINC000892195127 1119017022 /nfs/dbraw/zinc/01/70/22/1119017022.db2.gz NJPBVENXYPDYAV-WFASDCNBSA-N 0 1 283.400 3.589 20 0 CHADMN C[C@H]1CN(Cc2cnn(C3CCC3)c2)[C@H]1c1ccccc1 ZINC000892194860 1119017307 /nfs/dbraw/zinc/01/73/07/1119017307.db2.gz JJMLQKKIVSAWFR-KBXCAEBGSA-N 0 1 281.403 3.801 20 0 CHADMN CC1(C)CC[C@@H](NCc2cc3n(n2)CCC3)c2ccccc21 ZINC000657348969 1119017521 /nfs/dbraw/zinc/01/75/21/1119017521.db2.gz NUAKXUCJRFKTCK-GOSISDBHSA-N 0 1 295.430 3.732 20 0 CHADMN CC(C)(C)[C@@H]1CCCC[C@@H]1NCc1noc(C2CC2)n1 ZINC000108367253 1119025252 /nfs/dbraw/zinc/02/52/52/1119025252.db2.gz WKQJBEJOTHWZQY-OLZOCXBDSA-N 0 1 277.412 3.642 20 0 CHADMN COc1ccc([C@H]2CCC[N@H+]2CCCC(C)(F)F)nc1 ZINC000934339160 1119030643 /nfs/dbraw/zinc/03/06/43/1119030643.db2.gz ATVDCMQEQSOIED-CQSZACIVSA-N 0 1 284.350 3.663 20 0 CHADMN CC[C@@H]1C[C@H](N[C@@H](C)c2ccc(F)cc2Cl)CO1 ZINC000657364929 1119031287 /nfs/dbraw/zinc/03/12/87/1119031287.db2.gz RXKWVWZZLDCQPI-ZMLRMANQSA-N 0 1 271.763 3.697 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2c(C)noc2C)c(C)c1 ZINC000657366180 1119032199 /nfs/dbraw/zinc/03/21/99/1119032199.db2.gz IQZSJCOVWQRJNN-GFCCVEGCSA-N 0 1 288.391 3.849 20 0 CHADMN CO[C@@]1(C)CCCN(Cc2ncc(C(C)(C)C)s2)CC1 ZINC000375682625 1119038610 /nfs/dbraw/zinc/03/86/10/1119038610.db2.gz IVMOKKKJQAAEKU-INIZCTEOSA-N 0 1 296.480 3.832 20 0 CHADMN CC1(C)CC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001143443361 1119038576 /nfs/dbraw/zinc/03/85/76/1119038576.db2.gz PKMBAXVZANOMRT-UHFFFAOYSA-N 0 1 291.288 3.956 20 0 CHADMN CO[C@@]1(C)CCC[N@@H+](Cc2ncc(C(C)(C)C)s2)CC1 ZINC000375682625 1119038607 /nfs/dbraw/zinc/03/86/07/1119038607.db2.gz IVMOKKKJQAAEKU-INIZCTEOSA-N 0 1 296.480 3.832 20 0 CHADMN CCc1cccc2cc(CN[C@@H](C)c3cnn(C)c3)oc21 ZINC000657374213 1119038775 /nfs/dbraw/zinc/03/87/75/1119038775.db2.gz JUWFTWHWNNFWBW-LBPRGKRZSA-N 0 1 283.375 3.580 20 0 CHADMN CCOc1ccc(CN(Cc2cnc(C)o2)C(C)C)cc1 ZINC000628141179 1128817744 /nfs/dbraw/zinc/81/77/44/1128817744.db2.gz LGELDGPVSFLSAF-UHFFFAOYSA-N 0 1 288.391 3.792 20 0 CHADMN CC(C)c1ccc(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000043585692 1119045069 /nfs/dbraw/zinc/04/50/69/1119045069.db2.gz PROIGAGMHRVBAP-HNNXBMFYSA-N 0 1 289.419 3.887 20 0 CHADMN COc1ccc(CN(Cc2ccc(C)s2)C(C)C)nc1 ZINC000342485483 1119048832 /nfs/dbraw/zinc/04/88/32/1119048832.db2.gz XRGVCKNMIVKWBB-UHFFFAOYSA-N 0 1 290.432 3.871 20 0 CHADMN CC[N@@H+](Cc1cc(C(=O)[O-])ccc1Cl)C1CCCC1 ZINC000582306144 1119048936 /nfs/dbraw/zinc/04/89/36/1119048936.db2.gz CQFUAVOEGUIFJM-UHFFFAOYSA-N 0 1 281.783 3.803 20 0 CHADMN CC[C@H](NC)c1nc(-c2ccc(C(C)C)cc2)no1 ZINC000044626056 1119058402 /nfs/dbraw/zinc/05/84/02/1119058402.db2.gz PCVXMFGAGLHHOB-ZDUSSCGKSA-N 0 1 259.353 3.531 20 0 CHADMN C[C@@H]1CC[N@@H+](CCCCCC(=O)[O-])[C@H]2CCCC[C@H]12 ZINC000582365482 1119059649 /nfs/dbraw/zinc/05/96/49/1119059649.db2.gz WZAUHQZEDDVMPO-KFWWJZLASA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@H](C)Oc1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1 ZINC000237021185 1119065791 /nfs/dbraw/zinc/06/57/91/1119065791.db2.gz GXQDYTFZYAOIGD-GUYCJALGSA-N 0 1 298.386 3.502 20 0 CHADMN CCC[C@H](C)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000072849174 1119067224 /nfs/dbraw/zinc/06/72/24/1119067224.db2.gz NESUXQKXLKKWEA-ZDUSSCGKSA-N 0 1 283.375 3.744 20 0 CHADMN COC(=O)c1ccc(Cl)c(CN(C)[C@H](C)C2(C)CC2)c1 ZINC000511110896 1119067421 /nfs/dbraw/zinc/06/74/21/1119067421.db2.gz OKADXHZHRJDVSI-LLVKDONJSA-N 0 1 295.810 3.747 20 0 CHADMN CCc1nc([C@@H](C)NCc2cccc(C3CCCC3)c2)n[nH]1 ZINC000657420443 1119073450 /nfs/dbraw/zinc/07/34/50/1119073450.db2.gz PSXQMFAAGMELNI-CYBMUJFWSA-N 0 1 298.434 3.876 20 0 CHADMN CC(C)n1ccnc1CN[C@@H]1c2ccccc2CC[C@@H]1C ZINC000657421670 1119074077 /nfs/dbraw/zinc/07/40/77/1119074077.db2.gz QPANJJFNKGVPEO-KSSFIOAISA-N 0 1 283.419 3.877 20 0 CHADMN CC(C)(C)n1cc(CNCc2cccc(Cl)c2)cn1 ZINC000048326629 1119080203 /nfs/dbraw/zinc/08/02/03/1119080203.db2.gz MLQULBVQNMUPKJ-UHFFFAOYSA-N 0 1 277.799 3.581 20 0 CHADMN Cc1cc(Nc2cccc3cc[nH+]cc32)cc(C(=O)[O-])c1 ZINC001211545386 1119083487 /nfs/dbraw/zinc/08/34/87/1119083487.db2.gz YUWIEAQONKPUJQ-UHFFFAOYSA-N 0 1 278.311 3.985 20 0 CHADMN COCCC1(CNc2cc(C)nc3ccc(F)cc32)CC1 ZINC000152516874 1119083558 /nfs/dbraw/zinc/08/35/58/1119083558.db2.gz UALAEROSZKFJPM-UHFFFAOYSA-N 0 1 288.366 3.911 20 0 CHADMN COC(=O)c1cc(CN[C@@H](C)c2ccc(C)s2)oc1C ZINC000049161137 1119087136 /nfs/dbraw/zinc/08/71/36/1119087136.db2.gz QQAVEHYYYAUGHO-JTQLQIEISA-N 0 1 293.388 3.595 20 0 CHADMN Cc1cccc(CN2CC[C@H](C)C[C@H]2c2ccco2)n1 ZINC000342606055 1119099525 /nfs/dbraw/zinc/09/95/25/1119099525.db2.gz OXWHICVCEXXJAK-BBRMVZONSA-N 0 1 270.376 3.956 20 0 CHADMN CC(C)(CNCc1ccc(F)c(F)c1F)C(F)(F)F ZINC000657462844 1119112559 /nfs/dbraw/zinc/11/25/59/1119112559.db2.gz XRZONRALMGZEEQ-UHFFFAOYSA-N 0 1 285.231 3.782 20 0 CHADMN CC[C@@H]1CCC[C@@H](NCc2nccc(C(F)F)n2)CC1 ZINC000657466608 1119114267 /nfs/dbraw/zinc/11/42/67/1119114267.db2.gz KFMJOFSPDITQFO-VXGBXAGGSA-N 0 1 283.366 3.863 20 0 CHADMN CC/C=C\CCN1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000342658867 1119116601 /nfs/dbraw/zinc/11/66/01/1119116601.db2.gz LPCNJXJBVUSXGS-ARJAWSKDSA-N 0 1 299.393 3.726 20 0 CHADMN CCC[C@@H](NCc1cn(C(C)C)nc1C)c1ccccn1 ZINC000684927695 1119121360 /nfs/dbraw/zinc/12/13/60/1119121360.db2.gz YGKBNCADOLMEPH-MRXNPFEDSA-N 0 1 286.423 3.798 20 0 CHADMN CN(Cc1nc(C2CC2)cs1)CC1CCCC1 ZINC000342672037 1119121379 /nfs/dbraw/zinc/12/13/79/1119121379.db2.gz UFFHMJVAZKAKTG-UHFFFAOYSA-N 0 1 250.411 3.643 20 0 CHADMN CCOc1ccc(CNCc2ccc(C)c(C)n2)c(C)c1 ZINC000657489084 1119126881 /nfs/dbraw/zinc/12/68/81/1119126881.db2.gz ZGZQPIQVHYVHKG-UHFFFAOYSA-N 0 1 284.403 3.695 20 0 CHADMN Cc1nc2ccc(CSc3nccn3C(C)C)cc2[nH]1 ZINC000342687240 1119127309 /nfs/dbraw/zinc/12/73/09/1119127309.db2.gz MBQIENUJEDWCAD-UHFFFAOYSA-N 0 1 286.404 3.941 20 0 CHADMN Cc1ccc(CNCc2ccc3ccccc3n2)s1 ZINC000049918445 1119132327 /nfs/dbraw/zinc/13/23/27/1119132327.db2.gz ZLYGGYQJGRLTSH-UHFFFAOYSA-N 0 1 268.385 3.895 20 0 CHADMN CCN(CCOc1ccccc1Cl)Cc1ccccn1 ZINC000342705672 1119134426 /nfs/dbraw/zinc/13/44/26/1119134426.db2.gz UGEMQYFEMOTJKD-UHFFFAOYSA-N 0 1 290.794 3.636 20 0 CHADMN C[C@@H](c1ccccc1)N(C(=O)c1cnc(C2CC2)[nH]1)C1CC1 ZINC000342708961 1119135228 /nfs/dbraw/zinc/13/52/28/1119135228.db2.gz FJXWQULUXFFPQU-LBPRGKRZSA-N 0 1 295.386 3.653 20 0 CHADMN CC(C)(C)c1cc(Nc2cnc(C(F)(F)F)cn2)ccn1 ZINC001213162366 1119135350 /nfs/dbraw/zinc/13/53/50/1119135350.db2.gz ANSXWZHMVHSSJR-UHFFFAOYSA-N 0 1 296.296 3.932 20 0 CHADMN c1ccc2c(c1)OCCC[C@H]2N[C@@H]1CCCc2cccnc21 ZINC000684955534 1119140342 /nfs/dbraw/zinc/14/03/42/1119140342.db2.gz PIPLDJGDRNZZCF-IAGOWNOFSA-N 0 1 294.398 3.963 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000152906800 1119140803 /nfs/dbraw/zinc/14/08/03/1119140803.db2.gz YEZSIFXICOPNJN-SDDRHHMPSA-N 0 1 289.404 3.591 20 0 CHADMN CCOCc1ccc(CN[C@@H]2CCCc3cccnc32)cc1 ZINC000684954501 1119141388 /nfs/dbraw/zinc/14/13/88/1119141388.db2.gz VIEHXGUVODUENA-GOSISDBHSA-N 0 1 296.414 3.785 20 0 CHADMN COc1cc(CN[C@@H]2CCCc3cccnc32)ccc1C ZINC000684956640 1119141598 /nfs/dbraw/zinc/14/15/98/1119141598.db2.gz VAJIHWDILRRGGL-MRXNPFEDSA-N 0 1 282.387 3.566 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2N[C@H]1CCCc2cccnc21 ZINC000684955837 1119142299 /nfs/dbraw/zinc/14/22/99/1119142299.db2.gz QYIRAGHDPWHQMZ-SJORKVTESA-N 0 1 282.362 3.875 20 0 CHADMN c1oc2ccccc2c1CN[C@H]1CCCc2cccnc21 ZINC000684958678 1119142832 /nfs/dbraw/zinc/14/28/32/1119142832.db2.gz SPNYLTKLEXRBKB-INIZCTEOSA-N 0 1 278.355 3.995 20 0 CHADMN CN(CCc1ccccc1)Cc1nc(C2CC2)cs1 ZINC000342724036 1119142979 /nfs/dbraw/zinc/14/29/79/1119142979.db2.gz BSPREUKPHNZCQZ-UHFFFAOYSA-N 0 1 272.417 3.695 20 0 CHADMN CCc1cnc(CN[C@H]2C[C@H](OCC(C)C)C2(C)C)s1 ZINC000224697452 1119144337 /nfs/dbraw/zinc/14/43/37/1119144337.db2.gz SNRZRYYPCIRGHO-KBPBESRZSA-N 0 1 296.480 3.635 20 0 CHADMN CO[C@@H]1CCC[C@@H](Nc2ccc(Cl)c(CN(C)C)c2)C1 ZINC000684963068 1119144515 /nfs/dbraw/zinc/14/45/15/1119144515.db2.gz KMVOVLAISONULQ-UKRRQHHQSA-N 0 1 296.842 3.771 20 0 CHADMN Fc1cncc([C@@H](NCc2cc(F)cc(F)c2)C2CC2)c1 ZINC000342736147 1119149130 /nfs/dbraw/zinc/14/91/30/1119149130.db2.gz MXZNAFNYCSNVNK-INIZCTEOSA-N 0 1 292.304 3.740 20 0 CHADMN C[C@H]1C[C@H](Nc2ccnc3cc(F)ccc32)CS1 ZINC000413515038 1119150813 /nfs/dbraw/zinc/15/08/13/1119150813.db2.gz JSEFVDNKMMTPEW-ONGXEEELSA-N 0 1 262.353 3.680 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1nc(C2CC2)cs1 ZINC000342747651 1119153298 /nfs/dbraw/zinc/15/32/98/1119153298.db2.gz HKTASABIQCTSPP-LLVKDONJSA-N 0 1 284.494 3.984 20 0 CHADMN Cc1ccc(F)c(CNCc2cc3ccccc3[nH]2)c1 ZINC000116915460 1119156193 /nfs/dbraw/zinc/15/61/93/1119156193.db2.gz LDYMKDSMKVALRB-UHFFFAOYSA-N 0 1 268.335 3.905 20 0 CHADMN CCCn1cc(CNC(C)(C)c2ccc(Cl)cc2)cn1 ZINC000116916246 1119156352 /nfs/dbraw/zinc/15/63/52/1119156352.db2.gz ZTOZMABDNSGNFW-UHFFFAOYSA-N 0 1 291.826 3.971 20 0 CHADMN Cc1ccc(F)c(CN[C@@H]2CCc3c2cccc3O)c1 ZINC000116916672 1119156555 /nfs/dbraw/zinc/15/65/55/1119156555.db2.gz UIEZWRNZZVMIDJ-MRXNPFEDSA-N 0 1 271.335 3.617 20 0 CHADMN Cc1cncc(CN[C@H](C)c2cc3ccccc3o2)c1 ZINC000342763612 1119158021 /nfs/dbraw/zinc/15/80/21/1119158021.db2.gz XUEWWEXMUFVZFG-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN Fc1ccc(CN2CCC[C@H]3C[C@H]32)cc1OC(F)(F)F ZINC001143446574 1119165761 /nfs/dbraw/zinc/16/57/61/1119165761.db2.gz FDMOGLUCJHJYGD-CMPLNLGQSA-N 0 1 289.272 3.709 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)N2CCC[C@H](C)C2)n1 ZINC000074981228 1119171815 /nfs/dbraw/zinc/17/18/15/1119171815.db2.gz CNDBWNQUVGAORA-GXTWGEPZSA-N 0 1 285.391 3.838 20 0 CHADMN CC(C)N(C)Cc1c(F)cccc1OC(F)(F)F ZINC000342796457 1119171929 /nfs/dbraw/zinc/17/19/29/1119171929.db2.gz YYIVSEZCWVIWIW-UHFFFAOYSA-N 0 1 265.250 3.565 20 0 CHADMN CCc1cnc(CN2CCC[C@H]2c2ccccc2C)o1 ZINC000075642821 1119179045 /nfs/dbraw/zinc/17/90/45/1119179045.db2.gz BMQQQWVFUIOZKK-INIZCTEOSA-N 0 1 270.376 3.883 20 0 CHADMN COCc1nc(C[N@@H+](CC2CC2)C2CCCCC2)cs1 ZINC000075712062 1119179464 /nfs/dbraw/zinc/17/94/64/1119179464.db2.gz HSYIXTUNRKCPNA-UHFFFAOYSA-N 0 1 294.464 3.834 20 0 CHADMN COc1ccc(C)cc1CN(C)[C@H](CCO)c1ccccc1 ZINC000075898127 1119180431 /nfs/dbraw/zinc/18/04/31/1119180431.db2.gz HGDLKBXHEGNEFZ-GOSISDBHSA-N 0 1 299.414 3.559 20 0 CHADMN COc1cccc(OC)c1CNCc1ccc(C)c(C)c1 ZINC000657586056 1119196880 /nfs/dbraw/zinc/19/68/80/1119196880.db2.gz QYQYYQQVICLQIR-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN FC(F)(F)[C@H](CNCc1ccsc1)OC1CCCC1 ZINC000657587493 1119200185 /nfs/dbraw/zinc/20/01/85/1119200185.db2.gz VTOWBLAJQGMKCA-LBPRGKRZSA-N 0 1 293.354 3.728 20 0 CHADMN Cc1nc2cc(Nc3cccnc3Cl)ccc2[nH]1 ZINC001213070341 1128828966 /nfs/dbraw/zinc/82/89/66/1128828966.db2.gz LKMRTCRMLYMHDF-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1nc2ccc(Nc3cccnc3Cl)cc2[nH]1 ZINC001213070341 1128828972 /nfs/dbraw/zinc/82/89/72/1128828972.db2.gz LKMRTCRMLYMHDF-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN CC(C)[C@@H](NCc1cncc(F)c1)c1ccccc1F ZINC000657614753 1119208003 /nfs/dbraw/zinc/20/80/03/1119208003.db2.gz IELQYNKASHZMPQ-MRXNPFEDSA-N 0 1 276.330 3.847 20 0 CHADMN FC1(F)C[C@H]1OCCNCc1cc(Cl)ccc1Cl ZINC000657618507 1119210075 /nfs/dbraw/zinc/21/00/75/1119210075.db2.gz GIANKIBYMUVIOG-LLVKDONJSA-N 0 1 296.144 3.507 20 0 CHADMN CC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccnc(OC)c1 ZINC000342865244 1119216323 /nfs/dbraw/zinc/21/63/23/1119216323.db2.gz TULLWDPFCKUGBP-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN CCN(Cc1ccc(Cl)cc1)Cc1ccnc(OC)c1 ZINC000342865244 1119216325 /nfs/dbraw/zinc/21/63/25/1119216325.db2.gz TULLWDPFCKUGBP-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NCc1cnc(C)o1 ZINC000628217566 1128829773 /nfs/dbraw/zinc/82/97/73/1128829773.db2.gz CBNHGNYGNXQZNM-ZUZCIYMTSA-N 0 1 294.782 3.502 20 0 CHADMN CCOc1cc(Nc2ccnc(C(C)(C)C)c2)no1 ZINC001213164417 1119220869 /nfs/dbraw/zinc/22/08/69/1119220869.db2.gz QFSZFZQHTITEAJ-UHFFFAOYSA-N 0 1 261.325 3.509 20 0 CHADMN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NCc1cnc(C)o1 ZINC000628217564 1128830134 /nfs/dbraw/zinc/83/01/34/1128830134.db2.gz CBNHGNYGNXQZNM-BONVTDFDSA-N 0 1 294.782 3.502 20 0 CHADMN Cc1nc(C)c(CNCCOc2ccccc2C(C)C)o1 ZINC000628217819 1128830546 /nfs/dbraw/zinc/83/05/46/1128830546.db2.gz KZRLSKXKSHLUHH-UHFFFAOYSA-N 0 1 288.391 3.583 20 0 CHADMN CCC[C@@H](N[C@H](C)c1cnn(C)c1)c1ccc(F)cc1F ZINC000120875106 1119251720 /nfs/dbraw/zinc/25/17/20/1119251720.db2.gz IQVDBVSOTWEELX-BDJLRTHQSA-N 0 1 293.361 3.890 20 0 CHADMN Cc1ncc(CN2CC=C(c3cccc(C)c3)CC2)o1 ZINC000628235838 1128832355 /nfs/dbraw/zinc/83/23/55/1128832355.db2.gz DMRMKIHWQLHRMP-UHFFFAOYSA-N 0 1 268.360 3.581 20 0 CHADMN C[C@@H](N[C@H]1CCC(C)(C)c2ccccc21)c1ncc[nH]1 ZINC000138964412 1119252636 /nfs/dbraw/zinc/25/26/36/1119252636.db2.gz NEWYQGXJMWQCLP-DOMZBBRYSA-N 0 1 269.392 3.873 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1ncc(COC)s1)C1CC1 ZINC000342937067 1119255994 /nfs/dbraw/zinc/25/59/94/1119255994.db2.gz AHTCEGLJMHQKAI-NEPJUHHUSA-N 0 1 282.453 3.689 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1ncc(COC)s1)C1CC1 ZINC000342937069 1119256237 /nfs/dbraw/zinc/25/62/37/1119256237.db2.gz AHTCEGLJMHQKAI-RYUDHWBXSA-N 0 1 282.453 3.689 20 0 CHADMN C[C@@H](CCc1ccccc1)CN(C)Cc1nccs1 ZINC000342941731 1119257869 /nfs/dbraw/zinc/25/78/69/1119257869.db2.gz KRHLFKRGBWUXFE-AWEZNQCLSA-N 0 1 274.433 3.844 20 0 CHADMN Cc1cnc([C@@H](C)NCCc2c(F)cccc2F)s1 ZINC000402022410 1119259474 /nfs/dbraw/zinc/25/94/74/1119259474.db2.gz QGJQIVDUEGHJKZ-SNVBAGLBSA-N 0 1 282.359 3.623 20 0 CHADMN CC[C@H](NCCc1c(F)cccc1F)c1nccs1 ZINC000402026356 1119259719 /nfs/dbraw/zinc/25/97/19/1119259719.db2.gz SUAVPYFAYYRDEG-ZDUSSCGKSA-N 0 1 282.359 3.705 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCOc2ccccc2C)on1 ZINC000052008067 1119261987 /nfs/dbraw/zinc/26/19/87/1119261987.db2.gz NOMGOZNXMYHMTC-HNNXBMFYSA-N 0 1 286.375 3.507 20 0 CHADMN Clc1c2ccccc2oc1CNCC1=CCOCC1 ZINC000631148120 1119262791 /nfs/dbraw/zinc/26/27/91/1119262791.db2.gz JMUURVQMQCTOKO-UHFFFAOYSA-N 0 1 277.751 3.523 20 0 CHADMN Cc1nc(CN[C@H]2C[C@H](OC(C)(C)C)C23CCC3)cs1 ZINC000657707107 1119263700 /nfs/dbraw/zinc/26/37/00/1119263700.db2.gz GOYNOLKLYYVTSR-KBPBESRZSA-N 0 1 294.464 3.667 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@H]2c2cccc(C)c2C)n1 ZINC000628182874 1119265526 /nfs/dbraw/zinc/26/55/26/1119265526.db2.gz KHBHJRPJGMETAK-INIZCTEOSA-N 0 1 269.392 3.672 20 0 CHADMN Cc1ncsc1C[N@H+](C)Cc1cccc2ncccc12 ZINC000661132480 1119267421 /nfs/dbraw/zinc/26/74/21/1119267421.db2.gz ZDCWLSXSKBPNBB-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN Cc1ncsc1CN(C)Cc1cccc2ncccc12 ZINC000661132480 1119267424 /nfs/dbraw/zinc/26/74/24/1119267424.db2.gz ZDCWLSXSKBPNBB-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN CCc1csc(NC[C@@H](c2ccco2)N2CCCC2)n1 ZINC000079038900 1119267925 /nfs/dbraw/zinc/26/79/25/1119267925.db2.gz PKTDCXIILSUDDZ-ZDUSSCGKSA-N 0 1 291.420 3.548 20 0 CHADMN N#Cc1csc(CN2CCC(Nc3ccccc3)CC2)c1 ZINC000092164512 1119269754 /nfs/dbraw/zinc/26/97/54/1119269754.db2.gz BRRVJPGPKGTWLP-UHFFFAOYSA-N 0 1 297.427 3.696 20 0 CHADMN Clc1ccc(CN[C@H]2CCCc3cccnc32)cc1 ZINC000091660468 1119277795 /nfs/dbraw/zinc/27/77/95/1119277795.db2.gz VAARYJLZWMTYHR-HNNXBMFYSA-N 0 1 272.779 3.902 20 0 CHADMN Cc1ccoc1CN[C@H]1CCCc2cc(F)ccc21 ZINC000122381696 1119280023 /nfs/dbraw/zinc/28/00/23/1119280023.db2.gz VXGUXIZMWGTBGC-HNNXBMFYSA-N 0 1 259.324 3.894 20 0 CHADMN CCOC1CCN(Cc2cnc(C3CCCC3)s2)CC1 ZINC000091677032 1119281098 /nfs/dbraw/zinc/28/10/98/1119281098.db2.gz PKBOCPUFDZGNQO-UHFFFAOYSA-N 0 1 294.464 3.802 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2c2ccc(F)cc2)cn1 ZINC000153723643 1119281687 /nfs/dbraw/zinc/28/16/87/1119281687.db2.gz QALRTVCVEDIBHT-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cnc(CN[C@H](C)c2ccc(C)cc2C)s1 ZINC000122977667 1119289129 /nfs/dbraw/zinc/28/91/29/1119289129.db2.gz ARKRFLIWUPJIBS-CYBMUJFWSA-N 0 1 260.406 3.919 20 0 CHADMN Cc1c[nH]nc1CN[C@H](C)c1cccc2ccccc21 ZINC000670859336 1128835455 /nfs/dbraw/zinc/83/54/55/1128835455.db2.gz VWEGEJPZPXITID-CYBMUJFWSA-N 0 1 265.360 3.722 20 0 CHADMN Cc1cnc([C@H](C)CN[C@@H](C)c2csc(C)n2)s1 ZINC000349830959 1119293147 /nfs/dbraw/zinc/29/31/47/1119293147.db2.gz GMPAQFNGPMQLPH-SCZZXKLOSA-N 0 1 281.450 3.671 20 0 CHADMN CC(C)CCN(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000154058471 1119300509 /nfs/dbraw/zinc/30/05/09/1119300509.db2.gz NUTUZPJYKFMSEJ-UHFFFAOYSA-N 0 1 257.381 3.555 20 0 CHADMN CCC1(CC)Oc2ccc(NCc3cn[nH]c3C)cc2O1 ZINC000190420700 1128836215 /nfs/dbraw/zinc/83/62/15/1128836215.db2.gz IJMGDBIBGQSJGS-UHFFFAOYSA-N 0 1 287.363 3.618 20 0 CHADMN CC(C)(C)c1nc(CNC[C@@H]2C(C)(C)C2(F)F)cs1 ZINC000657737033 1119304170 /nfs/dbraw/zinc/30/41/70/1119304170.db2.gz HPBWCEVFMPGRFJ-SNVBAGLBSA-N 0 1 288.407 3.822 20 0 CHADMN OCC[C@@H](NCc1ccc(Cl)s1)c1ccccc1 ZINC000124439467 1119314109 /nfs/dbraw/zinc/31/41/09/1119314109.db2.gz LWXXPPZWUHVTNG-CYBMUJFWSA-N 0 1 281.808 3.615 20 0 CHADMN CC1=CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000535964279 1119316904 /nfs/dbraw/zinc/31/69/04/1119316904.db2.gz PNAFQZAHKLFCPS-UHFFFAOYSA-N 0 1 272.323 3.633 20 0 CHADMN C[C@@H]1CCN(Cc2cc(Cl)ccc2Br)C1 ZINC000307511013 1119318592 /nfs/dbraw/zinc/31/85/92/1119318592.db2.gz BYYHMYUATCGQKJ-SECBINFHSA-N 0 1 288.616 3.944 20 0 CHADMN CCCc1nc(CN(CCOC)C(CC)CC)cs1 ZINC000343124395 1119320300 /nfs/dbraw/zinc/32/03/00/1119320300.db2.gz ZVGIYCFKEZWMHC-UHFFFAOYSA-N 0 1 284.469 3.733 20 0 CHADMN Fc1ccc(CN2CCC[C@H]2c2ccncc2)cc1 ZINC000125367303 1119331599 /nfs/dbraw/zinc/33/15/99/1119331599.db2.gz PFZNYAGFMHHXJM-INIZCTEOSA-N 0 1 256.324 3.558 20 0 CHADMN CCc1ccc(CN[C@@H](c2ccccc2)[C@@H](O)C(C)C)o1 ZINC000657747750 1119333243 /nfs/dbraw/zinc/33/32/43/1119333243.db2.gz RTUWOJULWUXTNO-ROUUACIJSA-N 0 1 287.403 3.690 20 0 CHADMN CC[C@@H]1CCC[C@H](C[N@@H+](CC(=O)[O-])Cc2ccccc2)C1 ZINC000692417086 1119336771 /nfs/dbraw/zinc/33/67/71/1119336771.db2.gz YTACRBUSYPEPAT-WBVHZDCISA-N 0 1 289.419 3.790 20 0 CHADMN c1oc(-c2ccccc2)nc1CNCC1=CCCC1 ZINC000657749749 1119339418 /nfs/dbraw/zinc/33/94/18/1119339418.db2.gz LUUWNWWZMGSJAR-UHFFFAOYSA-N 0 1 254.333 3.542 20 0 CHADMN Cc1oc([C@@H](C)[N@H+]2CCCc3ccccc3C2)cc1C(=O)[O-] ZINC000583327685 1119340530 /nfs/dbraw/zinc/34/05/30/1119340530.db2.gz YRFUBKUQJMRQAE-GFCCVEGCSA-N 0 1 299.370 3.796 20 0 CHADMN COc1ccc([C@@H](CC(C)C)NCc2cc(C)no2)cc1 ZINC000647288207 1119346779 /nfs/dbraw/zinc/34/67/79/1119346779.db2.gz SXISESKYLSTWEX-QGZVFWFLSA-N 0 1 288.391 3.869 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@](C)(c3ccccc3)CC2)n1 ZINC000628271727 1128839865 /nfs/dbraw/zinc/83/98/65/1128839865.db2.gz OFZXFKJRANACAR-SFHVURJKSA-N 0 1 283.419 3.662 20 0 CHADMN C[C@H](NCc1cccnc1)c1cc2cccc(F)c2o1 ZINC000353239056 1119353366 /nfs/dbraw/zinc/35/33/66/1119353366.db2.gz QOLAOYKFCVGCGI-NSHDSACASA-N 0 1 270.307 3.818 20 0 CHADMN Cc1cccc(C(C)(C)NCc2nc3c(s2)CCC3)c1 ZINC000093075930 1119354543 /nfs/dbraw/zinc/35/45/43/1119354543.db2.gz PZSZUEHVUJZRQG-UHFFFAOYSA-N 0 1 286.444 3.965 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1cc3n(n1)CCCC3)CC2 ZINC000647292951 1119360302 /nfs/dbraw/zinc/36/03/02/1119360302.db2.gz MXVNCULXBMPHRF-KDOFPFPSSA-N 0 1 295.430 3.866 20 0 CHADMN c1c(CNC2CC3(CCC3)C2)noc1-c1ccccc1 ZINC000448058344 1119361418 /nfs/dbraw/zinc/36/14/18/1119361418.db2.gz MILFFZQXMFRDLY-UHFFFAOYSA-N 0 1 268.360 3.764 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2NC[C@@H]1CCCCC1(F)F ZINC000926502331 1119367722 /nfs/dbraw/zinc/36/77/22/1119367722.db2.gz NTCJRKNTLSLIQR-NWDGAFQWSA-N 0 1 284.350 3.776 20 0 CHADMN O=C(C[N@H+]1CCCC[C@H]1c1ccccc1)Nc1ccccc1 ZINC000583538252 1119374786 /nfs/dbraw/zinc/37/47/86/1119374786.db2.gz GTTIKYNBXXVDIM-SFHVURJKSA-N 0 1 294.398 3.852 20 0 CHADMN O=C(CN1CCCC[C@H]1c1ccccc1)Nc1ccccc1 ZINC000583538252 1119374789 /nfs/dbraw/zinc/37/47/89/1119374789.db2.gz GTTIKYNBXXVDIM-SFHVURJKSA-N 0 1 294.398 3.852 20 0 CHADMN C[C@@H](c1noc(-c2ccccc2)n1)N1CC[C@@H](C)[C@@H]1C ZINC000283963205 1119375746 /nfs/dbraw/zinc/37/57/46/1119375746.db2.gz DYDHUBONCSADRG-AGIUHOORSA-N 0 1 271.364 3.528 20 0 CHADMN CN(Cc1ccc(Cl)cc1Cl)[C@H]1CCSC1 ZINC000536068352 1119376174 /nfs/dbraw/zinc/37/61/74/1119376174.db2.gz BKWXCEJAXBYZTD-NSHDSACASA-N 0 1 276.232 3.931 20 0 CHADMN CC(C)CC1(NCc2csc(-c3ccccn3)n2)CC1 ZINC000657774424 1119382996 /nfs/dbraw/zinc/38/29/96/1119382996.db2.gz GXDWLSWYCVSCFV-UHFFFAOYSA-N 0 1 287.432 3.873 20 0 CHADMN C[C@@H](N[C@H]1CCCc2ccccc21)c1ccc(F)cn1 ZINC000147616116 1119387259 /nfs/dbraw/zinc/38/72/59/1119387259.db2.gz ZBOSJVJPOAEQMR-PXAZEXFGSA-N 0 1 270.351 3.949 20 0 CHADMN CC[C@@H]1CC[C@@H](C)[N@H+]1CC[C@H](C(=O)[O-])c1ccccc1 ZINC000583635970 1119387466 /nfs/dbraw/zinc/38/74/66/1119387466.db2.gz CLWCUIKWFUDEEW-BMFZPTHFSA-N 0 1 275.392 3.508 20 0 CHADMN CC(C)(C)c1nc(CNCCCc2ccco2)cs1 ZINC000657779965 1119392878 /nfs/dbraw/zinc/39/28/78/1119392878.db2.gz KRBFYNOZLIIEAK-UHFFFAOYSA-N 0 1 278.421 3.756 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1nccn1C ZINC000175430838 1119398216 /nfs/dbraw/zinc/39/82/16/1119398216.db2.gz NZABJQMPIBVQAX-OLZOCXBDSA-N 0 1 291.826 3.698 20 0 CHADMN C[C@H](NC[C@H]1CCCCC1(F)F)c1cc2n(n1)CCCC2 ZINC000647305323 1119400173 /nfs/dbraw/zinc/40/01/73/1119400173.db2.gz FSGVXDDTOXHZOQ-QWHCGFSZSA-N 0 1 297.393 3.696 20 0 CHADMN Cc1cc(CN2CC[C@@]3(CCCO3)C2)cc(C(F)(F)F)c1 ZINC001143451060 1119404276 /nfs/dbraw/zinc/40/42/76/1119404276.db2.gz MQXBNCCCLWEZOI-HNNXBMFYSA-N 0 1 299.336 3.769 20 0 CHADMN c1csc(CN[C@@H](c2ccccc2)C2CCC2)n1 ZINC000105430606 1119413229 /nfs/dbraw/zinc/41/32/29/1119413229.db2.gz PJPVHRFRZZHZQK-HNNXBMFYSA-N 0 1 258.390 3.774 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1coc2ccccc12 ZINC000343414270 1119413580 /nfs/dbraw/zinc/41/35/80/1119413580.db2.gz TZIWMCPEXIXUNN-UHFFFAOYSA-N 0 1 297.358 3.518 20 0 CHADMN CSCC[C@H](C)N(C)Cc1nc(C2CC2)cs1 ZINC000343430234 1119419357 /nfs/dbraw/zinc/41/93/57/1119419357.db2.gz TXSLQGIQLNAJLT-JTQLQIEISA-N 0 1 270.467 3.594 20 0 CHADMN C[C@H]1CC[C@@H](Sc2nc(Cc3ccccc3)n[nH]2)C1 ZINC001307333697 1119419622 /nfs/dbraw/zinc/41/96/22/1119419622.db2.gz ONOGLFJCGGEAJP-WCQYABFASA-N 0 1 273.405 3.676 20 0 CHADMN C[C@H]1CC[C@@H](Sc2n[nH]c(Cc3ccccc3)n2)C1 ZINC001307333697 1119419624 /nfs/dbraw/zinc/41/96/24/1119419624.db2.gz ONOGLFJCGGEAJP-WCQYABFASA-N 0 1 273.405 3.676 20 0 CHADMN CC[C@H]1CCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000152681160 1119424739 /nfs/dbraw/zinc/42/47/39/1119424739.db2.gz UHRJPDLXXDEABU-ZDUSSCGKSA-N 0 1 289.423 3.720 20 0 CHADMN COc1ccccc1[C@@H]1CCCN1Cc1ccc(C)cn1 ZINC000158185569 1119436464 /nfs/dbraw/zinc/43/64/64/1119436464.db2.gz FCPFJLJPDJHOHP-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN Cc1cc(CN2CCC[C@@]2(C)Cc2cccc(F)c2)no1 ZINC000583932618 1119436617 /nfs/dbraw/zinc/43/66/17/1119436617.db2.gz ZNOGYKYCYVHONR-KRWDZBQOSA-N 0 1 288.366 3.719 20 0 CHADMN CC[C@@H](C)CN(C)CC(=O)Nc1c(C)cccc1Cl ZINC000131901659 1119437789 /nfs/dbraw/zinc/43/77/89/1119437789.db2.gz ALVAPXCUBGBESB-LLVKDONJSA-N 0 1 282.815 3.565 20 0 CHADMN Cc1ccc(Nc2cccc3cc[nH+]cc32)cc1C(=O)[O-] ZINC001211604062 1119441027 /nfs/dbraw/zinc/44/10/27/1119441027.db2.gz LVTLROYAULTMHA-UHFFFAOYSA-N 0 1 278.311 3.985 20 0 CHADMN Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000343531899 1119444284 /nfs/dbraw/zinc/44/42/84/1119444284.db2.gz GNHXCCUDKNLNLB-ZBFHGGJFSA-N 0 1 261.413 3.537 20 0 CHADMN Cc1occc1C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000158345863 1119444633 /nfs/dbraw/zinc/44/46/33/1119444633.db2.gz UAZJHGSNSHTPHE-UHFFFAOYSA-N 0 1 298.386 3.812 20 0 CHADMN Cc1occc1C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000158345863 1119444634 /nfs/dbraw/zinc/44/46/34/1119444634.db2.gz UAZJHGSNSHTPHE-UHFFFAOYSA-N 0 1 298.386 3.812 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1nc(C2CC2)cs1 ZINC000343534232 1119446049 /nfs/dbraw/zinc/44/60/49/1119446049.db2.gz IJADXHVIFIYRHI-WDEREUQCSA-N 0 1 250.411 3.641 20 0 CHADMN C[C@H]1CCCN(Cc2nc(C3CC3)cs2)[C@H]1C ZINC000343541902 1119448677 /nfs/dbraw/zinc/44/86/77/1119448677.db2.gz VDRKPGHDRWXYSI-QWRGUYRKSA-N 0 1 250.411 3.641 20 0 CHADMN CCN(Cc1cnc(C)o1)[C@H](C)c1ccc(F)cc1 ZINC000628148394 1119449866 /nfs/dbraw/zinc/44/98/66/1119449866.db2.gz OTRORNVGECCXSN-LLVKDONJSA-N 0 1 262.328 3.705 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CCCC2(CCCC2)CC1 ZINC000617566160 1128846701 /nfs/dbraw/zinc/84/67/01/1128846701.db2.gz XHEBKVASDIECIQ-UHFFFAOYSA-N 0 1 297.402 3.749 20 0 CHADMN C[C@@H](O)[C@H](NCc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000657816721 1119452809 /nfs/dbraw/zinc/45/28/09/1119452809.db2.gz KTOKERSXNIUDHF-BZNIZROVSA-N 0 1 293.769 3.691 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN2CCC[C@H](OCC3CC3)C2)o1 ZINC000428385986 1119455981 /nfs/dbraw/zinc/45/59/81/1119455981.db2.gz CJPIAWAZNMYKKO-UKPHBRMFSA-N 0 1 289.419 3.794 20 0 CHADMN FC(F)(F)c1cccc(CN[C@@H]2CCCn3nccc32)c1 ZINC000657822557 1119465997 /nfs/dbraw/zinc/46/59/97/1119465997.db2.gz VKBTUCAKPFMLNC-CYBMUJFWSA-N 0 1 295.308 3.527 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccnc1)c1ccc(C(F)F)nc1 ZINC000657824509 1119468954 /nfs/dbraw/zinc/46/89/54/1119468954.db2.gz JNCWBRLXXVOKRN-WDEREUQCSA-N 0 1 277.318 3.826 20 0 CHADMN Cc1nn(C(C)C)cc1C[N@H+]1CCc2cc(C)ccc2C1 ZINC000343608095 1119469717 /nfs/dbraw/zinc/46/97/17/1119469717.db2.gz UDAMNRKJCASPGZ-UHFFFAOYSA-N 0 1 283.419 3.639 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCc2cc(C)ccc2C1 ZINC000343608095 1119469718 /nfs/dbraw/zinc/46/97/18/1119469718.db2.gz UDAMNRKJCASPGZ-UHFFFAOYSA-N 0 1 283.419 3.639 20 0 CHADMN CCc1cnc(CN2CCC[C@@H](C3CCC3)C2)s1 ZINC000668719094 1119470240 /nfs/dbraw/zinc/47/02/40/1119470240.db2.gz UAYFEOVYOFGRDX-CYBMUJFWSA-N 0 1 264.438 3.718 20 0 CHADMN CCN(C[C@H]1CCCO1)[C@H](C)c1ccc(F)cc1F ZINC000343625942 1119474592 /nfs/dbraw/zinc/47/45/92/1119474592.db2.gz OZYOYBULOSMBTN-DGCLKSJQSA-N 0 1 269.335 3.527 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1CCCCCC(=O)[O-] ZINC000565104808 1119477030 /nfs/dbraw/zinc/47/70/30/1119477030.db2.gz LAVHUUWASOJAOL-DOTOQJQBSA-N 0 1 289.419 3.900 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCCCCC(=O)[O-] ZINC000565104846 1119477280 /nfs/dbraw/zinc/47/72/80/1119477280.db2.gz LAVHUUWASOJAOL-RDJZCZTQSA-N 0 1 289.419 3.900 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H](CO)c2cccc(F)c2)c2ccccc21 ZINC000343660941 1119481753 /nfs/dbraw/zinc/48/17/53/1119481753.db2.gz AKLIZYUYMCUDIZ-NXOUGTEYSA-N 0 1 285.362 3.697 20 0 CHADMN COc1cncc(CN2CCC[C@@H]2/C=C\c2ccccc2)c1 ZINC000343680785 1119485116 /nfs/dbraw/zinc/48/51/16/1119485116.db2.gz AKPOXQUFBRHYRP-HJCTWCACSA-N 0 1 294.398 3.768 20 0 CHADMN c1cc2n(n1)CCC[C@H]2N[C@H]1CCSc2ccccc21 ZINC000657835213 1119485768 /nfs/dbraw/zinc/48/57/68/1119485768.db2.gz DJTZWCLTWZKGRO-UONOGXRCSA-N 0 1 285.416 3.545 20 0 CHADMN CC[C@H]1C[N@@H+](Cc2ccc3nc(C)sc3c2)CCCO1 ZINC000343693963 1119488497 /nfs/dbraw/zinc/48/84/97/1119488497.db2.gz IAHGOVJQDHDKRF-AWEZNQCLSA-N 0 1 290.432 3.606 20 0 CHADMN C[C@@H](NCc1ccc(-c2cccnc2)cc1)c1ccccn1 ZINC000159269991 1119488624 /nfs/dbraw/zinc/48/86/24/1119488624.db2.gz JBMCVQWSKVNELY-OAHLLOKOSA-N 0 1 289.382 3.994 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1nc(C2CC2)cs1 ZINC000343719443 1119494685 /nfs/dbraw/zinc/49/46/85/1119494685.db2.gz DALHNICELMZUMW-NSHDSACASA-N 0 1 270.467 3.594 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@H]2CCCc2ccccc2)n1 ZINC000628186119 1119496380 /nfs/dbraw/zinc/49/63/80/1119496380.db2.gz XYPDJHFCAWKHND-QGZVFWFLSA-N 0 1 283.419 3.705 20 0 CHADMN C[C@H](NCc1ccccc1CO)c1ccc(F)c(Cl)c1 ZINC000151795055 1119497965 /nfs/dbraw/zinc/49/79/65/1119497965.db2.gz YZBOVHHAIFEROW-NSHDSACASA-N 0 1 293.769 3.822 20 0 CHADMN COc1ccc(CN2CCS[C@@H](C)[C@H]2C)cc1Cl ZINC000343748245 1119501356 /nfs/dbraw/zinc/50/13/56/1119501356.db2.gz WADBRGFHQZXPIM-MNOVXSKESA-N 0 1 285.840 3.674 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000692440849 1119501391 /nfs/dbraw/zinc/50/13/91/1119501391.db2.gz ONIMMBHSGSMMRX-NVXWUHKLSA-N 0 1 289.419 3.790 20 0 CHADMN c1cc2n(n1)CCC[C@H]2NCc1ccc(-c2ccccc2)o1 ZINC000657845785 1119507927 /nfs/dbraw/zinc/50/79/27/1119507927.db2.gz XTTLPSROJWXLII-MRXNPFEDSA-N 0 1 293.370 3.768 20 0 CHADMN FCC1(CF)CC(NCc2coc(-c3cccs3)n2)C1 ZINC000657850435 1119511531 /nfs/dbraw/zinc/51/15/31/1119511531.db2.gz SWIRDEZJNUTUQH-UHFFFAOYSA-N 0 1 298.358 3.581 20 0 CHADMN CC(C)(O)CCN(Cc1ccco1)Cc1cccs1 ZINC000081645929 1119518349 /nfs/dbraw/zinc/51/83/49/1119518349.db2.gz UPMPGFPETRUUTF-UHFFFAOYSA-N 0 1 279.405 3.504 20 0 CHADMN Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccccc1 ZINC000084116507 1119525780 /nfs/dbraw/zinc/52/57/80/1119525780.db2.gz RHGCZGARDSKBCL-SFHVURJKSA-N 0 1 291.398 3.910 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000089209349 1119537815 /nfs/dbraw/zinc/53/78/15/1119537815.db2.gz SSCJOBYFFBPWNF-BZNIZROVSA-N 0 1 293.769 3.863 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccc(Cl)cc1)c1ccccc1 ZINC000089209771 1119537824 /nfs/dbraw/zinc/53/78/24/1119537824.db2.gz IURVPKQURBTICS-WBMJQRKESA-N 0 1 275.779 3.724 20 0 CHADMN COC[C@H](N[C@@H]1CCc2c1cccc2OC)c1ccccc1 ZINC000089668758 1119540483 /nfs/dbraw/zinc/54/04/83/1119540483.db2.gz AHYJSUBXEZPJJC-MSOLQXFVSA-N 0 1 297.398 3.660 20 0 CHADMN Cc1cc(CN2CCC[C@@]3(CCO3)C2)cc(C(F)(F)F)c1 ZINC001143455349 1119541159 /nfs/dbraw/zinc/54/11/59/1119541159.db2.gz RGTXNHWHPYVDNW-OAHLLOKOSA-N 0 1 299.336 3.769 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccsc1)CO2 ZINC000090452926 1119544455 /nfs/dbraw/zinc/54/44/55/1119544455.db2.gz NUKKRZNAASWDTQ-FZMZJTMJSA-N 0 1 259.374 3.841 20 0 CHADMN CC(C)(C)c1ccc(C(C)(C)NCc2cncnc2)cc1 ZINC000128195021 1119549460 /nfs/dbraw/zinc/54/94/60/1119549460.db2.gz BTQJPIHSWZSHBI-UHFFFAOYSA-N 0 1 283.419 3.799 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3cc(C)cc(F)c3)ccc12 ZINC000091834309 1119559991 /nfs/dbraw/zinc/55/99/91/1119559991.db2.gz XGAZEYDJKXVUBZ-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCc3ncccc3C)n2)cc1 ZINC000092854255 1119567415 /nfs/dbraw/zinc/56/74/15/1119567415.db2.gz MIIGBUWKOCJYRM-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN COc1ccsc1CN(C)Cc1ccc(C)s1 ZINC000093049276 1119568800 /nfs/dbraw/zinc/56/88/00/1119568800.db2.gz CBZINHZSWNCXDC-UHFFFAOYSA-N 0 1 267.419 3.759 20 0 CHADMN Cc1ccoc1CN[C@@H]1CCCc2ccc(F)cc21 ZINC000093116214 1119569912 /nfs/dbraw/zinc/56/99/12/1119569912.db2.gz VQBPCSQUCJGLFU-OAHLLOKOSA-N 0 1 259.324 3.894 20 0 CHADMN C[C@H]1CCCC[C@H]1OCCN(Cc1ccncc1)C1CC1 ZINC000093221998 1119570408 /nfs/dbraw/zinc/57/04/08/1119570408.db2.gz RTTZRBJDFSBNKX-MAUKXSAKSA-N 0 1 288.435 3.641 20 0 CHADMN Fc1cccc(CN2CCC[C@H](c3ncc[nH]3)C2)c1Cl ZINC000093193722 1119570512 /nfs/dbraw/zinc/57/05/12/1119570512.db2.gz ONZODISOAWSHPW-LBPRGKRZSA-N 0 1 293.773 3.582 20 0 CHADMN Cc1cccnc1CN[C@H](c1ncccc1C)C(C)C ZINC000093193508 1119570734 /nfs/dbraw/zinc/57/07/34/1119570734.db2.gz XWQUQKSWXHJAEE-INIZCTEOSA-N 0 1 269.392 3.580 20 0 CHADMN CCN(CCc1nccs1)Cc1cnc(C(C)C)s1 ZINC000093764432 1119571698 /nfs/dbraw/zinc/57/16/98/1119571698.db2.gz LANRUQJXKFEZFG-UHFFFAOYSA-N 0 1 295.477 3.788 20 0 CHADMN Cc1cnc(CCN(C)Cc2cc(C)ccc2F)s1 ZINC000093773460 1119571769 /nfs/dbraw/zinc/57/17/69/1119571769.db2.gz URHUYHDBXKKIHR-UHFFFAOYSA-N 0 1 278.396 3.574 20 0 CHADMN CCn1c(CN(C)[C@H](C)CCSC)nc2ccccc21 ZINC000093559005 1119571816 /nfs/dbraw/zinc/57/18/16/1119571816.db2.gz XVWWQXSHDFQUQL-CYBMUJFWSA-N 0 1 291.464 3.630 20 0 CHADMN CC(C)c1ccc([C@@H]2CCCN2Cc2c[nH]cn2)cc1 ZINC000093814532 1119572302 /nfs/dbraw/zinc/57/23/02/1119572302.db2.gz JSNXHVNPEFLDPC-KRWDZBQOSA-N 0 1 269.392 3.870 20 0 CHADMN CCn1nc(C)c(CN2C[C@H](C)[C@@H]2c2ccccc2)c1C ZINC000093867472 1119572511 /nfs/dbraw/zinc/57/25/11/1119572511.db2.gz LBJIVWYMGNHWNK-SCLBCKFNSA-N 0 1 283.419 3.713 20 0 CHADMN c1ccc([C@H](NCCOC2CCCC2)c2ccccn2)cc1 ZINC000170999468 1119575484 /nfs/dbraw/zinc/57/54/84/1119575484.db2.gz DFEZJRYJCMWTAV-IBGZPJMESA-N 0 1 296.414 3.720 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC000140476225 1119579467 /nfs/dbraw/zinc/57/94/67/1119579467.db2.gz GEVJJSFPXFRPBX-ZDUSSCGKSA-N 0 1 260.337 3.555 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cccc2O)c1cc2cnccc2o1 ZINC000657870448 1119580173 /nfs/dbraw/zinc/58/01/73/1119580173.db2.gz DMSXUXJPIUNECZ-XHDPSFHLSA-N 0 1 294.354 3.872 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000250949191 1119584125 /nfs/dbraw/zinc/58/41/25/1119584125.db2.gz LQFRZAVMJMNBJT-STQMWFEESA-N 0 1 293.432 3.767 20 0 CHADMN Clc1ccc(CNc2ccc3nc[nH]c3c2)cc1 ZINC000148393632 1119585261 /nfs/dbraw/zinc/58/52/61/1119585261.db2.gz FIRWAQZWPIBJQW-UHFFFAOYSA-N 0 1 257.724 3.828 20 0 CHADMN Cn1nc(CNC(C)(C)c2ccc(F)cc2)c2ccccc21 ZINC000728592917 1119590197 /nfs/dbraw/zinc/59/01/97/1119590197.db2.gz CVISDJHTQGRWSE-UHFFFAOYSA-N 0 1 297.377 3.737 20 0 CHADMN CC(C)[C@H](NCc1cc[nH]n1)c1ccc2c(c1)CCCC2 ZINC000657882209 1119592486 /nfs/dbraw/zinc/59/24/86/1119592486.db2.gz QGPAJEPNIWZMML-SFHVURJKSA-N 0 1 283.419 3.775 20 0 CHADMN CC[C@H](N[C@@H]1CCCn2nccc21)c1ccc(F)cc1F ZINC000657887759 1119596908 /nfs/dbraw/zinc/59/69/08/1119596908.db2.gz FIGIRRDDEQFFPE-LSDHHAIUSA-N 0 1 291.345 3.737 20 0 CHADMN Cc1ccccc1[C@@H](CO)N[C@@H](C)c1cc2cnccc2o1 ZINC000657899038 1119619762 /nfs/dbraw/zinc/61/97/62/1119619762.db2.gz UGDUHWPDMXHMSF-XJKSGUPXSA-N 0 1 296.370 3.520 20 0 CHADMN CSc1cc(C)ccc1CN[C@H]1CCCn2nccc21 ZINC000657903189 1119621593 /nfs/dbraw/zinc/62/15/93/1119621593.db2.gz FLJUTJWVWYGWSO-AWEZNQCLSA-N 0 1 287.432 3.538 20 0 CHADMN Cc1cccc([C@@H](C)C[NH2+]Cc2c(F)ccc([O-])c2F)c1 ZINC000511300041 1119622157 /nfs/dbraw/zinc/62/21/57/1119622157.db2.gz JTOLWQDOIWCUSK-LBPRGKRZSA-N 0 1 291.341 3.872 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2CCCn3nccc32)cc1F ZINC000657905726 1119623348 /nfs/dbraw/zinc/62/33/48/1119623348.db2.gz UENORHJXXXLGRD-SWLSCSKDSA-N 0 1 273.355 3.516 20 0 CHADMN CC[C@H]1CCCCN1Cc1cccc(C(=O)OC)c1Cl ZINC000394470042 1119627197 /nfs/dbraw/zinc/62/71/97/1119627197.db2.gz DYNTXOGOTIFQNW-ZDUSSCGKSA-N 0 1 295.810 3.891 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@H]2c2ccsc2)o1 ZINC000685561363 1119630393 /nfs/dbraw/zinc/63/03/93/1119630393.db2.gz AVSWHZOACOJXBY-ZDUSSCGKSA-N 0 1 262.378 3.690 20 0 CHADMN COC[C@H](NCc1csc(C)c1)c1ccccc1 ZINC000294298619 1119631452 /nfs/dbraw/zinc/63/14/52/1119631452.db2.gz UVQWSFHVKFCEOR-HNNXBMFYSA-N 0 1 261.390 3.534 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1cnc(-c2ccccc2)s1 ZINC000685573201 1119633030 /nfs/dbraw/zinc/63/30/30/1119633030.db2.gz VCNZXDJHCSLYBV-OKILXGFUSA-N 0 1 298.411 3.506 20 0 CHADMN Cc1nc(C)c(CN(C)C(C)(C)c2ccccc2)o1 ZINC000685583878 1119635361 /nfs/dbraw/zinc/63/53/61/1119635361.db2.gz QAHFAVKBYPYHRY-UHFFFAOYSA-N 0 1 258.365 3.659 20 0 CHADMN COc1cc(CN[C@@H](c2ccc(F)cc2)C(C)C)sn1 ZINC000399240298 1119645329 /nfs/dbraw/zinc/64/53/29/1119645329.db2.gz CJLAAMWYESFLOQ-OAHLLOKOSA-N 0 1 294.395 3.778 20 0 CHADMN C[C@H](NCc1ccc(F)cc1)c1ccnn1C1CCC1 ZINC000924524241 1119651287 /nfs/dbraw/zinc/65/12/87/1119651287.db2.gz HOUMRHPEMZEBDF-LBPRGKRZSA-N 0 1 273.355 3.598 20 0 CHADMN CC(C)(C)c1ccc(N2CCN(Cc3cc[nH]c3)CC2)cc1 ZINC001140708239 1119654025 /nfs/dbraw/zinc/65/40/25/1119654025.db2.gz VQUCEVXPLVROIK-UHFFFAOYSA-N 0 1 297.446 3.634 20 0 CHADMN Cc1cc(F)ncc1CN[C@H]1CCSc2ccccc21 ZINC000892415252 1119655516 /nfs/dbraw/zinc/65/55/16/1119655516.db2.gz FKSBPNICZMIEIN-AWEZNQCLSA-N 0 1 288.391 3.856 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1cccc(Br)n1 ZINC000309735538 1119658765 /nfs/dbraw/zinc/65/87/65/1119658765.db2.gz GJNUHGSOXNLEES-PWSUYJOCSA-N 0 1 283.213 3.607 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCc2ccsc2C1 ZINC000132439714 1119658731 /nfs/dbraw/zinc/65/87/31/1119658731.db2.gz HAHPZQKUYZZVSP-UHFFFAOYSA-N 0 1 284.359 3.998 20 0 CHADMN CCC[C@@H](NCc1ccc(OC)o1)c1ccccc1 ZINC000892419083 1119660586 /nfs/dbraw/zinc/66/05/86/1119660586.db2.gz ZEDJOFADCBXURP-OAHLLOKOSA-N 0 1 259.349 3.919 20 0 CHADMN CC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000030144027 1119662084 /nfs/dbraw/zinc/66/20/84/1119662084.db2.gz XZPXOWZVJAXAAA-KBPBESRZSA-N 0 1 292.398 3.583 20 0 CHADMN CC(C)C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000307810129 1119662536 /nfs/dbraw/zinc/66/25/36/1119662536.db2.gz IAGYSBPAYCNBAB-LBPRGKRZSA-N 0 1 295.810 3.906 20 0 CHADMN CCc1ncc(CN[C@H](C)c2cc3ccncc3s2)o1 ZINC000658029646 1119666703 /nfs/dbraw/zinc/66/67/03/1119666703.db2.gz RZHCHRFPGIWVBP-SNVBAGLBSA-N 0 1 287.388 3.698 20 0 CHADMN C[C@H](NCc1nnc(C(F)(F)F)s1)C1CCCCC1 ZINC000660177008 1128861310 /nfs/dbraw/zinc/86/13/10/1128861310.db2.gz AUWFDBWXQHHKRX-QMMMGPOBSA-N 0 1 293.358 3.615 20 0 CHADMN COc1c(C)cccc1CN[C@@H](C)c1cc2cnccc2o1 ZINC000658045603 1119671084 /nfs/dbraw/zinc/67/10/84/1119671084.db2.gz GDNLDZQFJAZZTE-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000307811340 1119671927 /nfs/dbraw/zinc/67/19/27/1119671927.db2.gz IEQLCNYARYVGGO-LBPRGKRZSA-N 0 1 281.421 3.623 20 0 CHADMN C[C@H](NCc1cc(Cl)cc(Cl)c1)c1ccnn1C ZINC000658054396 1119676229 /nfs/dbraw/zinc/67/62/29/1119676229.db2.gz DSQUGBVIPBDJTF-VIFPVBQESA-N 0 1 284.190 3.578 20 0 CHADMN CC[C@@H](C)CCN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000658121799 1119688305 /nfs/dbraw/zinc/68/83/05/1119688305.db2.gz QARZEIOSWZSROW-HIFRSBDPSA-N 0 1 257.381 3.525 20 0 CHADMN CC[C@H](C)CCN[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000658122232 1119688582 /nfs/dbraw/zinc/68/85/82/1119688582.db2.gz SHYWCEHUQYZMLI-GUYCJALGSA-N 0 1 287.382 3.731 20 0 CHADMN CC[C@H](N[C@@H](CO)c1ccccc1)c1ccsc1 ZINC000294420493 1119689776 /nfs/dbraw/zinc/68/97/76/1119689776.db2.gz OFFVGSWWBKNXFG-GJZGRUSLSA-N 0 1 261.390 3.522 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@H+]([C@H](C)c2ccccc2Cl)C1 ZINC000300288450 1119691146 /nfs/dbraw/zinc/69/11/46/1119691146.db2.gz SSWRFEYXYQKZDP-MLGOLLRUSA-N 0 1 295.810 3.834 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000300290155 1119693877 /nfs/dbraw/zinc/69/38/77/1119693877.db2.gz XPSITJLVAOVHPH-DOTOQJQBSA-N 0 1 275.392 3.570 20 0 CHADMN COC[C@@H](N[C@H](C)c1cccs1)c1cccc(OC)c1 ZINC000658166494 1119695254 /nfs/dbraw/zinc/69/52/54/1119695254.db2.gz VKBUZSIQKODBMI-IUODEOHRSA-N 0 1 291.416 3.795 20 0 CHADMN Cc1ccc([C@H](NCc2c(C3CC3)cnn2C)C2CCC2)o1 ZINC000658211460 1119699945 /nfs/dbraw/zinc/69/99/45/1119699945.db2.gz FUGULQJCPGULEP-GOSISDBHSA-N 0 1 299.418 3.830 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000381010742 1128863871 /nfs/dbraw/zinc/86/38/71/1128863871.db2.gz JYWHVTCFSVIXGE-GZBFAFLISA-N 0 1 255.365 3.548 20 0 CHADMN CCCCCN(Cc1nnc(CC)o1)[C@@H](C)CCC ZINC000101731357 1119714911 /nfs/dbraw/zinc/71/49/11/1119714911.db2.gz BNJAYMFRODZWMG-ZDUSSCGKSA-N 0 1 267.417 3.813 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H]2C(C)(C)C2(F)F)c(C)s1 ZINC000658281609 1119715683 /nfs/dbraw/zinc/71/56/83/1119715683.db2.gz QQRHBTWUNWERPN-XCBNKYQSSA-N 0 1 274.380 3.702 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](c2ccccc2)[C@H](O)C(C)C)o1 ZINC000658286886 1119717744 /nfs/dbraw/zinc/71/77/44/1119717744.db2.gz CQEWCRVNPYDMFO-JCGIZDLHSA-N 0 1 287.403 3.997 20 0 CHADMN CC(C)[C@H](O)[C@H](N[C@@H](C)c1cccc(O)c1)c1ccccc1 ZINC000658286752 1119717845 /nfs/dbraw/zinc/71/78/45/1119717845.db2.gz BPQNGIOFJXZMIO-KYNGSXCRSA-N 0 1 299.414 3.801 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccccn2)c2c(n1)CCCC2 ZINC000892431411 1119718599 /nfs/dbraw/zinc/71/85/99/1119718599.db2.gz PZOAWBJKFKSOJO-AWEZNQCLSA-N 0 1 281.403 3.515 20 0 CHADMN C[C@@H](NCCc1nsc2ccccc12)c1nccs1 ZINC000658317412 1119723103 /nfs/dbraw/zinc/72/31/03/1119723103.db2.gz KCUSUYFEMUNYKT-SNVBAGLBSA-N 0 1 289.429 3.646 20 0 CHADMN COc1cccc(C2(N[C@H](C)c3nccnc3C)CCC2)c1 ZINC000658322609 1119723432 /nfs/dbraw/zinc/72/34/32/1119723432.db2.gz AGCLXYDZIUMIMH-CQSZACIVSA-N 0 1 297.402 3.524 20 0 CHADMN CC(C)Cc1ccc(CN[C@@H](C)c2ccccn2)cn1 ZINC000892431504 1119724517 /nfs/dbraw/zinc/72/45/17/1119724517.db2.gz RCZKAUYIXNHUPC-AWEZNQCLSA-N 0 1 269.392 3.526 20 0 CHADMN CCC[C@@H](N[C@H](C)c1nccn1C)c1ccc(OC)cc1 ZINC000658335335 1119726567 /nfs/dbraw/zinc/72/65/67/1119726567.db2.gz SJUWDWFOEZYJAR-CZUORRHYSA-N 0 1 287.407 3.621 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2N[C@@H](C)c1cnccn1 ZINC000658338874 1119727172 /nfs/dbraw/zinc/72/71/72/1119727172.db2.gz OESOITBNJGWBKR-BBRMVZONSA-N 0 1 267.376 3.513 20 0 CHADMN CC[C@H](N[C@H]1CCCc2c(C)cccc21)c1ccn(C)n1 ZINC000658339266 1119727451 /nfs/dbraw/zinc/72/74/51/1119727451.db2.gz RPEUHQDBWIPGED-IRXDYDNUSA-N 0 1 283.419 3.847 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2N[C@H](C)c1cnccn1 ZINC000658338876 1119727591 /nfs/dbraw/zinc/72/75/91/1119727591.db2.gz OESOITBNJGWBKR-CJNGLKHVSA-N 0 1 267.376 3.513 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2N[C@H]1CCCn2ccnc21 ZINC000658340279 1119728108 /nfs/dbraw/zinc/72/81/08/1119728108.db2.gz NHQSGSNJMGJJTR-IRXDYDNUSA-N 0 1 281.403 3.694 20 0 CHADMN Cc1cccc2c1CCC[C@H]2N[C@H](C)c1cc2n(n1)CCC2 ZINC000658339536 1119728454 /nfs/dbraw/zinc/72/84/54/1119728454.db2.gz KTSBLCAZPRSXNY-RDTXWAMCSA-N 0 1 295.430 3.866 20 0 CHADMN CC[C@H](N[C@@H](c1ccccc1)[C@H](C)O)c1ccccc1F ZINC000658358972 1119730426 /nfs/dbraw/zinc/73/04/26/1119730426.db2.gz BOVBZKUMKIFGIX-DOPJRALCSA-N 0 1 287.378 3.989 20 0 CHADMN Cc1cc([C@H](C)N[C@H](c2ccccc2)[C@@H](C)O)c(C)o1 ZINC000658360987 1119731622 /nfs/dbraw/zinc/73/16/22/1119731622.db2.gz MWOOGDQMAPKKNE-AHIWAGSCSA-N 0 1 273.376 3.669 20 0 CHADMN CCC[C@H](N[C@@H]1CC12CC2)c1ncccc1Cl ZINC000926615975 1119731948 /nfs/dbraw/zinc/73/19/48/1119731948.db2.gz QLFKXGMFUGGIKE-NWDGAFQWSA-N 0 1 250.773 3.718 20 0 CHADMN CCC[C@H](N[C@H]1CC12CC2)c1ncccc1Cl ZINC000926615995 1119732055 /nfs/dbraw/zinc/73/20/55/1119732055.db2.gz QLFKXGMFUGGIKE-RYUDHWBXSA-N 0 1 250.773 3.718 20 0 CHADMN C[C@@H]1CC[C@H](C(F)(F)F)CN1C[C@H]1CC1(Cl)Cl ZINC000780384025 1119733497 /nfs/dbraw/zinc/73/34/97/1119733497.db2.gz FFVZRHORXIBRET-HRDYMLBCSA-N 0 1 290.156 3.843 20 0 CHADMN CC(C)O[C@H](CN1CCC[C@@H]1CF)c1ccccc1 ZINC000339673340 1119733930 /nfs/dbraw/zinc/73/39/30/1119733930.db2.gz SQYLIYKPVADIHF-HZPDHXFCSA-N 0 1 265.372 3.587 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2ncc(C(C)(C)C)s2)C1 ZINC000448217300 1119743609 /nfs/dbraw/zinc/74/36/09/1119743609.db2.gz LFASEFVPBCLEDW-TXEJJXNPSA-N 0 1 266.454 3.919 20 0 CHADMN COc1ccc(CN[C@@H](c2ccc(OC)cc2)C(C)C)o1 ZINC000892468057 1119747341 /nfs/dbraw/zinc/74/73/41/1119747341.db2.gz NZOAQRKPXAOBJR-QGZVFWFLSA-N 0 1 289.375 3.784 20 0 CHADMN CCCCN(C(=O)CCc1cnc[nH]1)[C@H]1CCC[C@H](C)C1 ZINC000359272455 1119747552 /nfs/dbraw/zinc/74/75/52/1119747552.db2.gz ZDBKMKFJSBURBF-HOCLYGCPSA-N 0 1 291.439 3.550 20 0 CHADMN CC[C@@H](NCc1cc(C)ns1)c1ccccc1F ZINC000404263422 1119750436 /nfs/dbraw/zinc/75/04/36/1119750436.db2.gz CAIFOHCUVIKLAO-CQSZACIVSA-N 0 1 264.369 3.832 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CNCc1ccc(C)c(F)c1 ZINC000892473785 1119755030 /nfs/dbraw/zinc/75/50/30/1119755030.db2.gz SDIKDNYJQUGLAX-UHFFFAOYSA-N 0 1 289.398 3.818 20 0 CHADMN Cc1cc(CN2C[C@H](F)C[C@H]2C)cc(OC(F)(F)F)c1 ZINC001143462391 1119763746 /nfs/dbraw/zinc/76/37/46/1119763746.db2.gz JPMBSORRSIRDRG-ZYHUDNBSSA-N 0 1 291.288 3.826 20 0 CHADMN CCC(CC)[C@@H](NCc1nccn1C)c1ccccc1 ZINC000051922947 1119764324 /nfs/dbraw/zinc/76/43/24/1119764324.db2.gz BLYNTSSXZTWVNS-QGZVFWFLSA-N 0 1 271.408 3.687 20 0 CHADMN CCCCN(C)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000023991724 1119765216 /nfs/dbraw/zinc/76/52/16/1119765216.db2.gz KGABTEVHNGMJQC-CQSZACIVSA-N 0 1 284.403 3.899 20 0 CHADMN CC1(C)SC[C@H]1N[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000375847726 1119768933 /nfs/dbraw/zinc/76/89/33/1119768933.db2.gz BKFJKJXADXVCRZ-OLZOCXBDSA-N 0 1 279.453 3.515 20 0 CHADMN COc1nc2ccccc2cc1CN[C@H](C)CC(F)(F)F ZINC000545242158 1119769613 /nfs/dbraw/zinc/76/96/13/1119769613.db2.gz FSMAPBXMGLRVQE-SNVBAGLBSA-N 0 1 298.308 3.674 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](Cc1cccc(C(=O)[O-])c1Cl)C1CC1 ZINC000584475051 1119776961 /nfs/dbraw/zinc/77/69/61/1119776961.db2.gz SDPAGBLOVKBYEN-JTQLQIEISA-N 0 1 293.794 3.801 20 0 CHADMN C[C@@H](CC(F)(F)F)NCc1cscc1Cl ZINC000308897333 1119782569 /nfs/dbraw/zinc/78/25/69/1119782569.db2.gz ARNWJXHCIFZXDI-LURJTMIESA-N 0 1 257.708 3.832 20 0 CHADMN C[C@@H](C[S@@](C)=O)N(C)Cc1ccc(C2CCCC2)cc1 ZINC000343823171 1119786436 /nfs/dbraw/zinc/78/64/36/1119786436.db2.gz PKIBHSNKUUBKSL-VBKZILBWSA-N 0 1 293.476 3.543 20 0 CHADMN Fc1cccc(CNc2cc3c(cn2)CCCC3)c1F ZINC000569980089 1119788209 /nfs/dbraw/zinc/78/82/09/1119788209.db2.gz HVXYLDWDXFYONO-UHFFFAOYSA-N 0 1 274.314 3.851 20 0 CHADMN CC(C)CC[C@@](C)(O)CNCc1c(F)cccc1Cl ZINC000236616314 1119791236 /nfs/dbraw/zinc/79/12/36/1119791236.db2.gz KKEXWFWSMOTKKW-OAHLLOKOSA-N 0 1 287.806 3.756 20 0 CHADMN C#CCN(Cc1ccc(F)cc1)Cc1ccccc1C ZINC000065958277 1119796742 /nfs/dbraw/zinc/79/67/42/1119796742.db2.gz PPMNNHXMSDTKGP-UHFFFAOYSA-N 0 1 267.347 3.770 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccs1)c1cnnn1-c1ccccc1 ZINC000924549216 1119798800 /nfs/dbraw/zinc/79/88/00/1119798800.db2.gz SKIKVNHUROFGOV-OLZOCXBDSA-N 0 1 298.415 3.741 20 0 CHADMN Oc1cc(F)cc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1 ZINC000708767570 1119807419 /nfs/dbraw/zinc/80/74/19/1119807419.db2.gz ULESBCGSQGPWPZ-OAHLLOKOSA-N 0 1 277.383 3.934 20 0 CHADMN Clc1ccnc2c1CCC[C@@H]2NCc1cccs1 ZINC000924557669 1119827910 /nfs/dbraw/zinc/82/79/10/1119827910.db2.gz QTGITVJGUHFLPM-ZDUSSCGKSA-N 0 1 278.808 3.964 20 0 CHADMN C[C@@]1(CN[C@@H]2COCc3cccc(Cl)c32)CC1(F)F ZINC000926706149 1119831929 /nfs/dbraw/zinc/83/19/29/1119831929.db2.gz RYXNRNZJDJLVLM-YPMHNXCESA-N 0 1 287.737 3.546 20 0 CHADMN CSc1ccc(CNCc2ccoc2C)s1 ZINC000309860880 1119839160 /nfs/dbraw/zinc/83/91/60/1119839160.db2.gz MMVMWVYYZNHSEP-UHFFFAOYSA-N 0 1 253.392 3.661 20 0 CHADMN COC[C@H](C)NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000612911340 1119839352 /nfs/dbraw/zinc/83/93/52/1119839352.db2.gz HJJWIJPBKIOLFH-JTQLQIEISA-N 0 1 296.823 3.588 20 0 CHADMN CC(C)(O)CCNCc1c(Cl)ccc(Cl)c1Cl ZINC000310075158 1119845034 /nfs/dbraw/zinc/84/50/34/1119845034.db2.gz ATEPIGGAEURRKJ-UHFFFAOYSA-N 0 1 296.625 3.897 20 0 CHADMN CC(C)N1CCC[C@@H]1c1nc(CC2CC(C)(C)C2)no1 ZINC000924078527 1119852616 /nfs/dbraw/zinc/85/26/16/1119852616.db2.gz FOWSQTBVVQYDFZ-CYBMUJFWSA-N 0 1 277.412 3.594 20 0 CHADMN CC(C)(C)[C@@H]1C[C@@H](Nc2ccc3c[nH]nc3c2)CCO1 ZINC000721613396 1119853619 /nfs/dbraw/zinc/85/36/19/1119853619.db2.gz LTDLAYAUJHTPLE-ZFWWWQNUSA-N 0 1 273.380 3.569 20 0 CHADMN Cc1c[nH]nc1CN(Cc1cccc(C)c1)CC(C)C ZINC000685834082 1119853706 /nfs/dbraw/zinc/85/37/06/1119853706.db2.gz DMPGUVDIIBABGP-UHFFFAOYSA-N 0 1 271.408 3.685 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccn(C)n1)c1ccc(C)cc1 ZINC000414047096 1119864943 /nfs/dbraw/zinc/86/49/43/1119864943.db2.gz BKMQOVWHBPAYPG-ZFWWWQNUSA-N 0 1 257.381 3.530 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)C(C)(C)C)c1ccn(C)n1 ZINC000414054372 1119870462 /nfs/dbraw/zinc/87/04/62/1119870462.db2.gz BKVZYPDSKHEUBZ-BBRMVZONSA-N 0 1 271.408 3.858 20 0 CHADMN Cc1csc(CNC(C)(C)COCc2ccccc2)n1 ZINC000282152949 1119892502 /nfs/dbraw/zinc/89/25/02/1119892502.db2.gz HVAFTVZIQRKQSU-UHFFFAOYSA-N 0 1 290.432 3.537 20 0 CHADMN C[C@@H](N[C@@H]1CC(C)(C)c2ccccc21)c1cc2n(n1)CCC2 ZINC000414103721 1119899855 /nfs/dbraw/zinc/89/98/55/1119899855.db2.gz YJBGQZMHUUAQDR-FZKQIMNGSA-N 0 1 295.430 3.903 20 0 CHADMN C[C@@H](N[C@H]1CC[C@@H](C)c2ccccc21)c1ccn(C)n1 ZINC000414110535 1119902977 /nfs/dbraw/zinc/90/29/77/1119902977.db2.gz WGLKSQCGRBZXSH-XNJGSVPQSA-N 0 1 269.392 3.709 20 0 CHADMN C[C@@H](N[C@@H]1CCCOC1)c1csc(-c2ccccc2)n1 ZINC000414111984 1119903199 /nfs/dbraw/zinc/90/31/99/1119903199.db2.gz JNCURTKGRZTHEQ-TZMCWYRMSA-N 0 1 288.416 3.640 20 0 CHADMN COC(=O)c1sccc1CN1CC[C@@H](C2CCCC2)C1 ZINC000708822859 1119905836 /nfs/dbraw/zinc/90/58/36/1119905836.db2.gz QRXUXWZNSUYAKG-CYBMUJFWSA-N 0 1 293.432 3.547 20 0 CHADMN Cc1ccccc1[C@@H](N[C@H](C)c1ccn(C)n1)C1CC1 ZINC000414132669 1119910531 /nfs/dbraw/zinc/91/05/31/1119910531.db2.gz ZMDRRXGJBURIKU-DYVFJYSZSA-N 0 1 269.392 3.530 20 0 CHADMN CCc1noc(C)c1CN[C@H](C)c1ccc(OC)cc1C ZINC000414136071 1119912373 /nfs/dbraw/zinc/91/23/73/1119912373.db2.gz IOUQIIBRBHQBIO-GFCCVEGCSA-N 0 1 288.391 3.713 20 0 CHADMN CC(C)CN(Cc1noc(-c2ccccc2)n1)CC(C)C ZINC000613400229 1119915096 /nfs/dbraw/zinc/91/50/96/1119915096.db2.gz AMDMNWFNKGJMDK-UHFFFAOYSA-N 0 1 287.407 3.851 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414142508 1119915646 /nfs/dbraw/zinc/91/56/46/1119915646.db2.gz HXYFJCGOJHYQCW-MJBXVCDLSA-N 0 1 293.455 3.536 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccncc2F)c(C)c1 ZINC000414151744 1119917044 /nfs/dbraw/zinc/91/70/44/1119917044.db2.gz QDMFYIQKZJZWCD-OLZOCXBDSA-N 0 1 288.366 3.950 20 0 CHADMN Cc1ccc(CN[C@H](c2cccnc2)C(C)C)nc1C ZINC000414166625 1119924063 /nfs/dbraw/zinc/92/40/63/1119924063.db2.gz OAJRNKXTWBOQME-KRWDZBQOSA-N 0 1 269.392 3.580 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc3c(c2)COC3)nc1C ZINC000414171342 1119925787 /nfs/dbraw/zinc/92/57/87/1119925787.db2.gz UQCJTIYIWRKTMD-AWEZNQCLSA-N 0 1 282.387 3.579 20 0 CHADMN CCn1ccc(CN[C@@H](c2ccc(C)cc2)C2CCC2)n1 ZINC000414204141 1119937389 /nfs/dbraw/zinc/93/73/89/1119937389.db2.gz FQIAGWUDPVIQDG-GOSISDBHSA-N 0 1 283.419 3.842 20 0 CHADMN CCn1ccc(CN[C@@H](C)c2cc3c(s2)CCCC3)n1 ZINC000414208289 1119940302 /nfs/dbraw/zinc/94/03/02/1119940302.db2.gz LJMQZTQGCRRHQJ-LBPRGKRZSA-N 0 1 289.448 3.694 20 0 CHADMN CCn1ccc(CN[C@H](C)c2cc3c(s2)CCCC3)n1 ZINC000414208288 1119940420 /nfs/dbraw/zinc/94/04/20/1119940420.db2.gz LJMQZTQGCRRHQJ-GFCCVEGCSA-N 0 1 289.448 3.694 20 0 CHADMN Cc1ccc(CN[C@H](C)c2nccn2C)c2ccccc12 ZINC000414213506 1119941807 /nfs/dbraw/zinc/94/18/07/1119941807.db2.gz UCYOHQABBBUOSS-CQSZACIVSA-N 0 1 279.387 3.733 20 0 CHADMN CC[C@H](NCc1cnn(C)c1C1CC1)c1ccccc1OC ZINC000892560469 1119942749 /nfs/dbraw/zinc/94/27/49/1119942749.db2.gz HNCSEEOBASUWQQ-INIZCTEOSA-N 0 1 299.418 3.547 20 0 CHADMN Cc1cncc([C@@H](C)NCc2cnccc2C(C)(C)C)c1 ZINC000414221175 1119944013 /nfs/dbraw/zinc/94/40/13/1119944013.db2.gz CYGHILOZORORIM-CQSZACIVSA-N 0 1 283.419 3.933 20 0 CHADMN Cc1ncc([C@H](C)NCc2cnccc2C(C)(C)C)c(C)n1 ZINC000414226135 1119946863 /nfs/dbraw/zinc/94/68/63/1119946863.db2.gz JPAQMWRMFKHYID-LBPRGKRZSA-N 0 1 298.434 3.637 20 0 CHADMN Cc1ccnc([C@H](C)NCc2cnccc2C(C)(C)C)c1 ZINC000414228523 1119947199 /nfs/dbraw/zinc/94/71/99/1119947199.db2.gz MDCJTODFXKGTRN-AWEZNQCLSA-N 0 1 283.419 3.933 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC000694467186 1119952076 /nfs/dbraw/zinc/95/20/76/1119952076.db2.gz GYYTXJYCIYHEJN-SNVBAGLBSA-N 0 1 258.818 3.665 20 0 CHADMN CC(C)=CCC[C@@H](C)NCc1nccc(C(F)(F)F)n1 ZINC000414238281 1119952855 /nfs/dbraw/zinc/95/28/55/1119952855.db2.gz JYTBILISQOYVAV-LLVKDONJSA-N 0 1 287.329 3.720 20 0 CHADMN CC[C@@H]1CCC[C@@H](NCc2nccc(C(F)(F)F)n2)C1 ZINC000414240538 1119952871 /nfs/dbraw/zinc/95/28/71/1119952871.db2.gz MBANRQZYMOBGSR-GHMZBOCLSA-N 0 1 287.329 3.554 20 0 CHADMN Cc1occc1CN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000414251766 1119957730 /nfs/dbraw/zinc/95/77/30/1119957730.db2.gz AFIGHAJMAIYERM-GFCCVEGCSA-N 0 1 298.386 3.787 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1cc(F)cc(F)c1 ZINC000414281583 1119965674 /nfs/dbraw/zinc/96/56/74/1119965674.db2.gz GILKZORDJOULOM-CUOATXAZSA-N 0 1 257.299 3.896 20 0 CHADMN CC(C)C[C@H](C)C[C@H](C)N[C@@H](C)c1csnn1 ZINC000414290610 1119968373 /nfs/dbraw/zinc/96/83/73/1119968373.db2.gz AEQIVYVCBZMELY-SRVKXCTJSA-N 0 1 255.431 3.650 20 0 CHADMN CCn1nc(C)c(CN[C@@H](C)c2cc(C)oc2C)c1C ZINC000307973317 1119970567 /nfs/dbraw/zinc/97/05/67/1119970567.db2.gz ZSTGQFQIZFEEIM-NSHDSACASA-N 0 1 275.396 3.580 20 0 CHADMN CCn1ccnc1NCc1ccc(C)c(Br)c1 ZINC000414309545 1119975221 /nfs/dbraw/zinc/97/52/21/1119975221.db2.gz XZGZAKOLBDNXPJ-UHFFFAOYSA-N 0 1 294.196 3.586 20 0 CHADMN CCSc1ccc([C@H](C)NCc2ccc(C)nn2)cc1 ZINC000414321095 1119981252 /nfs/dbraw/zinc/98/12/52/1119981252.db2.gz DGVDAFFEAOCGSH-ZDUSSCGKSA-N 0 1 287.432 3.748 20 0 CHADMN C[C@@H](CCCC(F)(F)F)NCc1nnc(C2CC2)s1 ZINC000414324909 1119984083 /nfs/dbraw/zinc/98/40/83/1119984083.db2.gz LCNKLLATOGFOGM-QMMMGPOBSA-N 0 1 293.358 3.626 20 0 CHADMN CC(C)C[C@H]1CCN([C@@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000472590739 1119990719 /nfs/dbraw/zinc/99/07/19/1119990719.db2.gz OBUYDNZKPAGEEQ-JKSUJKDBSA-N 0 1 298.434 3.696 20 0 CHADMN Cc1ccc(CN[C@@H](c2ncccc2C)C(C)C)nc1 ZINC000134328854 1119993679 /nfs/dbraw/zinc/99/36/79/1119993679.db2.gz CIYBDHWUAKIUDS-MRXNPFEDSA-N 0 1 269.392 3.580 20 0 CHADMN Cc1cc(CN[C@H](C)c2cn[nH]c2)ccc1C(F)(F)F ZINC000414363640 1119999557 /nfs/dbraw/zinc/99/95/57/1119999557.db2.gz GXVCHIXFFIHAJZ-SNVBAGLBSA-N 0 1 283.297 3.588 20 0 CHADMN Fc1cccc(F)c1CN(C[C@H]1CCCO1)C1CCCC1 ZINC000539837561 1120000458 /nfs/dbraw/zinc/00/04/58/1120000458.db2.gz LGURCONUIVMSQR-CQSZACIVSA-N 0 1 295.373 3.888 20 0 CHADMN CCOc1ccc(CN(Cc2ccc(C)nn2)C(C)C)cc1 ZINC000414366955 1120001321 /nfs/dbraw/zinc/00/13/21/1120001321.db2.gz CRJQTKDPFIYENU-UHFFFAOYSA-N 0 1 299.418 3.594 20 0 CHADMN Cc1ccc(CN(Cc2ccc(C)nn2)C(C)C)s1 ZINC000414380051 1120008459 /nfs/dbraw/zinc/00/84/59/1120008459.db2.gz KCIRCUODICAVED-UHFFFAOYSA-N 0 1 275.421 3.566 20 0 CHADMN CCOCc1ccc(CNCc2cc(C)oc2C)cc1 ZINC000163479486 1120014531 /nfs/dbraw/zinc/01/45/31/1120014531.db2.gz ZVYXBRJMLFUVAJ-UHFFFAOYSA-N 0 1 273.376 3.723 20 0 CHADMN COc1cccc(CNCc2csc(C)c2C)c1OC ZINC000399901342 1120023226 /nfs/dbraw/zinc/02/32/26/1120023226.db2.gz ACLXKTPELRKOID-UHFFFAOYSA-N 0 1 291.416 3.672 20 0 CHADMN Cc1nc(-c2ccc(NC(=O)C=CC3CC3)cc2)[nH]c1C ZINC000921659840 1120056865 /nfs/dbraw/zinc/05/68/65/1120056865.db2.gz GIBHDAYKOUDLKW-YHYXMXQVSA-N 0 1 281.359 3.598 20 0 CHADMN COc1ccc(CN[C@H]2CCc3c2cccc3Cl)o1 ZINC000892681294 1120065038 /nfs/dbraw/zinc/06/50/38/1120065038.db2.gz YTRIKKMHUCDMEV-AWEZNQCLSA-N 0 1 277.751 3.719 20 0 CHADMN Cc1ccc(CN(Cc2cc3cccnc3o2)C2CC2)o1 ZINC000648357161 1120081359 /nfs/dbraw/zinc/08/13/59/1120081359.db2.gz IVRVUHVFZGAKCU-UHFFFAOYSA-N 0 1 282.343 3.894 20 0 CHADMN Cc1nc2c(s1)[C@@H](N(C)CCC(=O)CC(C)C)CCC2 ZINC000828065806 1120083999 /nfs/dbraw/zinc/08/39/99/1120083999.db2.gz AWYVKZQURURTDH-HNNXBMFYSA-N 0 1 294.464 3.766 20 0 CHADMN Clc1cc(CNC[C@@H]2CCC=CO2)c(Cl)s1 ZINC000309474853 1120084233 /nfs/dbraw/zinc/08/42/33/1120084233.db2.gz BQCTUOCLPUJNOQ-VIFPVBQESA-N 0 1 278.204 3.837 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1cnnn1C)c1ccc(Cl)cc1 ZINC000924593659 1120088144 /nfs/dbraw/zinc/08/81/44/1120088144.db2.gz XMHDPOABGLQFQB-IAQYHMDHSA-N 0 1 292.814 3.516 20 0 CHADMN Cc1noc([C@H](C)N2CCC[C@@H](Cc3ccc(C)cc3)C2)n1 ZINC000051063676 1120090069 /nfs/dbraw/zinc/09/00/69/1120090069.db2.gz KUOFUMWFLVCQOU-YOEHRIQHSA-N 0 1 299.418 3.702 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)N(Cn3cc(Cl)cn3)C2)cc1 ZINC000782954328 1120090647 /nfs/dbraw/zinc/09/06/47/1120090647.db2.gz NCOIAGUSUNHSNH-HIFRSBDPSA-N 0 1 289.810 3.680 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1ccccc1F ZINC000110058685 1120094746 /nfs/dbraw/zinc/09/47/46/1120094746.db2.gz HHOJHBDSCHLBIU-INIZCTEOSA-N 0 1 259.299 3.742 20 0 CHADMN COc1cc(CNCc2cccc(C)c2OC)ccc1C ZINC000655832952 1120095221 /nfs/dbraw/zinc/09/52/21/1120095221.db2.gz DZCSGHKZBUMFCE-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN CCc1c(C)[nH]n(-c2ccc(Cl)c(Cl)c2)c1=O ZINC000103316147 1120096500 /nfs/dbraw/zinc/09/65/00/1120096500.db2.gz BGKAAYDZUPOKMM-VIFPVBQESA-N 0 1 271.147 3.742 20 0 CHADMN CCC[C@@H](NCc1cnn(CC2CCC2)c1)c1ccccn1 ZINC000921684751 1120109122 /nfs/dbraw/zinc/10/91/22/1120109122.db2.gz RWFCPRQGGOVNDX-QGZVFWFLSA-N 0 1 298.434 3.709 20 0 CHADMN CCC1(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1 ZINC000343838925 1120109936 /nfs/dbraw/zinc/10/99/36/1120109936.db2.gz TUQDSYIYZNCKMU-UHFFFAOYSA-N 0 1 297.280 3.710 20 0 CHADMN CCc1ccc(CN(C)[C@H](C)c2ccc(OC)cc2)cn1 ZINC000347657624 1120110797 /nfs/dbraw/zinc/11/07/97/1120110797.db2.gz VQWSDLBKGUFMKX-CQSZACIVSA-N 0 1 284.403 3.846 20 0 CHADMN CC[C@@H](C)[N@@H+](CCC1CCCCCC1)CC(=O)[O-] ZINC000394537030 1120111569 /nfs/dbraw/zinc/11/15/69/1120111569.db2.gz PJSBZDAZTLIJCK-CYBMUJFWSA-N 0 1 255.402 3.532 20 0 CHADMN O=C([O-])[C@]12C[N@H+]([C@@H]3CCCc4ccccc43)C[C@H]1CCCC2 ZINC000659798289 1120112333 /nfs/dbraw/zinc/11/23/33/1120112333.db2.gz AFABIHLFAVCGKD-SZVBFZGTSA-N 0 1 299.414 3.641 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000659803014 1120113222 /nfs/dbraw/zinc/11/32/22/1120113222.db2.gz CIJLWWYGFGFKOM-CQSZACIVSA-N 0 1 291.391 3.770 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cccc2ccn(C)c21 ZINC000188130483 1120116741 /nfs/dbraw/zinc/11/67/41/1120116741.db2.gz GRGHYLQQFSMVBB-UHFFFAOYSA-N 0 1 296.374 3.586 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1cc(C2CC2)no1 ZINC000659820400 1120118204 /nfs/dbraw/zinc/11/82/04/1120118204.db2.gz FVXJZQUKMGZRKN-GFCCVEGCSA-N 0 1 256.349 3.745 20 0 CHADMN COc1cc(CN[C@H](c2ccc(Cl)cc2)C(C)C)on1 ZINC000659826728 1120120566 /nfs/dbraw/zinc/12/05/66/1120120566.db2.gz MPMCHZMCKZBZLP-HNNXBMFYSA-N 0 1 294.782 3.824 20 0 CHADMN Cc1ccc(C2CC(N[C@H](C)c3ccon3)C2)cc1 ZINC000542709660 1120123951 /nfs/dbraw/zinc/12/39/51/1120123951.db2.gz AQLFPZARHXCMGR-LRVUVFPRSA-N 0 1 256.349 3.580 20 0 CHADMN c1ccc2c(c1)NCC[C@@H]2Nc1cc(OCC2CC2)ccn1 ZINC001168639263 1120125883 /nfs/dbraw/zinc/12/58/83/1120125883.db2.gz BMIRXGHIUJLSDY-KRWDZBQOSA-N 0 1 295.386 3.839 20 0 CHADMN CSCc1cccc(CN[C@H](C)c2ccoc2)c1 ZINC000188725154 1120132031 /nfs/dbraw/zinc/13/20/31/1120132031.db2.gz JDYNPZLKWMVLEJ-GFCCVEGCSA-N 0 1 261.390 3.993 20 0 CHADMN C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccccc1Br ZINC000378805296 1120132625 /nfs/dbraw/zinc/13/26/25/1120132625.db2.gz WPFSEZXKFKZUQC-HDBBIHSSSA-N 0 1 290.151 3.753 20 0 CHADMN CC[C@@H](CN[C@@H](C)c1ncc[nH]1)Oc1ccccc1Cl ZINC000353519327 1120133677 /nfs/dbraw/zinc/13/36/77/1120133677.db2.gz MVKWYFWCAXMWSQ-RYUDHWBXSA-N 0 1 293.798 3.571 20 0 CHADMN CCOc1ccc(CN[C@@H](CC)c2ccccc2)o1 ZINC000892742242 1120134107 /nfs/dbraw/zinc/13/41/07/1120134107.db2.gz WCWGZVURPFZKNP-HNNXBMFYSA-N 0 1 259.349 3.919 20 0 CHADMN C[N@@H+](CCCc1cccnc1)Cc1nc2ccccc2s1 ZINC000929233550 1120135319 /nfs/dbraw/zinc/13/53/19/1120135319.db2.gz SXEIVXOASFRAEG-UHFFFAOYSA-N 0 1 297.427 3.756 20 0 CHADMN CN(CCCc1cccnc1)Cc1nc2ccccc2s1 ZINC000929233550 1120135321 /nfs/dbraw/zinc/13/53/21/1120135321.db2.gz SXEIVXOASFRAEG-UHFFFAOYSA-N 0 1 297.427 3.756 20 0 CHADMN CC(C)=CCCN(C)CC(=O)Nc1c(C)cccc1C ZINC000659834518 1120138184 /nfs/dbraw/zinc/13/81/84/1120138184.db2.gz PRGKINFAJHTRFD-UHFFFAOYSA-N 0 1 274.408 3.530 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCO[C@H](c2ccccc2)C1 ZINC000659835235 1120140251 /nfs/dbraw/zinc/14/02/51/1120140251.db2.gz APHVNPITBDYGGG-ZFWWWQNUSA-N 0 1 283.362 3.741 20 0 CHADMN C[C@H](NC1CC(F)(c2cccc(Cl)c2)C1)c1ncc[nH]1 ZINC000353603165 1120144434 /nfs/dbraw/zinc/14/44/34/1120144434.db2.gz GFNYIGWPUFWLHG-KKJMOOEGSA-N 0 1 293.773 3.741 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)N(Cc2ccncc2F)C1 ZINC000449321624 1128894029 /nfs/dbraw/zinc/89/40/29/1128894029.db2.gz TULCUSFGWOHMAQ-GUYCJALGSA-N 0 1 270.351 3.804 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cccc3c2OCO3)c2ccccc21 ZINC000313781117 1120149546 /nfs/dbraw/zinc/14/95/46/1120149546.db2.gz AVTBVAOCPKERRZ-MLGOLLRUSA-N 0 1 281.355 3.753 20 0 CHADMN CCOc1ccc(CN[C@@H]2CCc3c2cccc3C)o1 ZINC000892921522 1120161313 /nfs/dbraw/zinc/16/13/13/1120161313.db2.gz VAXGRYXDHPOBFB-MRXNPFEDSA-N 0 1 271.360 3.764 20 0 CHADMN COc1cc(CNCc2cc(C(C)(C)C)oc2C)ccn1 ZINC000892920711 1120161793 /nfs/dbraw/zinc/16/17/93/1120161793.db2.gz YKOHXTYNPKAAFJ-UHFFFAOYSA-N 0 1 288.391 3.579 20 0 CHADMN C[C@H](c1nc(C2(C)CCCC2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000624758433 1120165324 /nfs/dbraw/zinc/16/53/24/1120165324.db2.gz OWIWTNCWLXKVPJ-FRRDWIJNSA-N 0 1 277.412 3.835 20 0 CHADMN C[C@H](c1nc(C2(C)CCCC2)no1)N1[C@H](C)CC[C@@H]1C ZINC000624758433 1120165326 /nfs/dbraw/zinc/16/53/26/1120165326.db2.gz OWIWTNCWLXKVPJ-FRRDWIJNSA-N 0 1 277.412 3.835 20 0 CHADMN C[C@H](CCNC(=O)c1cccc(F)c1O)CC(C)(C)C ZINC001128123131 1120173649 /nfs/dbraw/zinc/17/36/49/1120173649.db2.gz IHWDFDFWSUIMDT-LLVKDONJSA-N 0 1 281.371 3.724 20 0 CHADMN Cc1noc([C@H]2CCCCN2[C@@H](C)Cc2ccsc2)n1 ZINC000685448049 1120174068 /nfs/dbraw/zinc/17/40/68/1120174068.db2.gz HTQQXFYWLYEXGS-SMDDNHRTSA-N 0 1 291.420 3.598 20 0 CHADMN CC(C)(C)c1coc(CNC[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000921726578 1120175600 /nfs/dbraw/zinc/17/56/00/1120175600.db2.gz ZVNSNQWOQQSGGW-HUUCEWRRSA-N 0 1 284.403 3.865 20 0 CHADMN CCOc1ccc([C@H](C)NCc2oc(C)nc2C)cc1 ZINC000312590791 1120177669 /nfs/dbraw/zinc/17/76/69/1120177669.db2.gz XKLYZVMVMPSLIP-NSHDSACASA-N 0 1 274.364 3.541 20 0 CHADMN CCOc1ccc(CNC(C)(C)c2cccc(F)c2)o1 ZINC000892956243 1120180516 /nfs/dbraw/zinc/18/05/16/1120180516.db2.gz UPUIWHMUEPDELN-UHFFFAOYSA-N 0 1 277.339 3.842 20 0 CHADMN COc1ccc(CN(C)Cc2c(C)cccc2C)c(OC)c1 ZINC000303748779 1120182028 /nfs/dbraw/zinc/18/20/28/1120182028.db2.gz KWWBVAPRXWXPCH-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)CCO[C@@H]1CC1(F)F ZINC000659847789 1120182820 /nfs/dbraw/zinc/18/28/20/1120182820.db2.gz RKFCPPHKEMMITD-ZWNOBZJWSA-N 0 1 289.753 3.757 20 0 CHADMN COC[C@H](C)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000189544859 1120187619 /nfs/dbraw/zinc/18/76/19/1120187619.db2.gz DGDURTFSDMJEEL-CYBMUJFWSA-N 0 1 279.405 3.626 20 0 CHADMN Cc1nc(CN2CCC[C@H]2c2cccc(C)c2)c(C)o1 ZINC000659851737 1120190322 /nfs/dbraw/zinc/19/03/22/1120190322.db2.gz DSMNJWGVLMLLQG-KRWDZBQOSA-N 0 1 270.376 3.937 20 0 CHADMN C[C@H](CN(C)Cn1ccc(C(F)(F)F)n1)c1ccccc1 ZINC000066795363 1120191108 /nfs/dbraw/zinc/19/11/08/1120191108.db2.gz ULCOWCVXWQAUIK-GFCCVEGCSA-N 0 1 297.324 3.595 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)nc(C)n1 ZINC000659850897 1120191540 /nfs/dbraw/zinc/19/15/40/1120191540.db2.gz WEXSDEICSUHSNK-KRWDZBQOSA-N 0 1 285.366 3.570 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2cccc(F)c2)nc(C)n1 ZINC000659850897 1120191543 /nfs/dbraw/zinc/19/15/43/1120191543.db2.gz WEXSDEICSUHSNK-KRWDZBQOSA-N 0 1 285.366 3.570 20 0 CHADMN Fc1cc2[nH]cnc2cc1N[C@H]1CCCc2cccnc21 ZINC001168659858 1120194276 /nfs/dbraw/zinc/19/42/76/1120194276.db2.gz ROTJQGUSJNTFPV-LBPRGKRZSA-N 0 1 282.322 3.587 20 0 CHADMN CCOc1ccc(F)c(F)c1CN(C)C(CC)CC ZINC001143496983 1120194350 /nfs/dbraw/zinc/19/43/50/1120194350.db2.gz GQERAJLJHYAWNH-UHFFFAOYSA-N 0 1 271.351 3.984 20 0 CHADMN Cc1cc(CN(Cc2ccccc2C)C2CC2)nc(C)n1 ZINC000659857733 1120197658 /nfs/dbraw/zinc/19/76/58/1120197658.db2.gz PTDRHEDPJOZVIR-UHFFFAOYSA-N 0 1 281.403 3.566 20 0 CHADMN Cc1ccc(CN[C@H](c2ccccc2F)[C@H](C)O)cc1C ZINC000584534647 1120198387 /nfs/dbraw/zinc/19/83/87/1120198387.db2.gz ZBEZZBHPEXNMBZ-KSSFIOAISA-N 0 1 287.378 3.654 20 0 CHADMN CC[C@@](C)(NCc1cccc(N(C)C)c1)c1nccs1 ZINC000072683324 1120199381 /nfs/dbraw/zinc/19/93/81/1120199381.db2.gz LZAKHZXIXRLQFX-MRXNPFEDSA-N 0 1 289.448 3.624 20 0 CHADMN CCCCN(Cc1cn(C)cn1)[C@@H](C)c1ccccc1 ZINC000659859551 1120201761 /nfs/dbraw/zinc/20/17/61/1120201761.db2.gz JTFZQNXSZHBPEI-HNNXBMFYSA-N 0 1 271.408 3.783 20 0 CHADMN CCCN(Cc1ccc(OC)cc1)Cc1cc(C)nc(C)n1 ZINC000659860618 1120202815 /nfs/dbraw/zinc/20/28/15/1120202815.db2.gz ZNLGKYQQHGVZNS-UHFFFAOYSA-N 0 1 299.418 3.514 20 0 CHADMN C[C@H](Cc1ccccc1Cl)NCc1cscn1 ZINC000040504270 1120206374 /nfs/dbraw/zinc/20/63/74/1120206374.db2.gz UXEFHNAKYSFMTF-SNVBAGLBSA-N 0 1 266.797 3.517 20 0 CHADMN COc1ccc([C@H](C)NCc2cccc(F)c2F)cc1 ZINC000113427565 1120208966 /nfs/dbraw/zinc/20/89/66/1120208966.db2.gz WGIUHKSWIOWQLL-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN Clc1sccc1CNC[C@@H]1OCCc2ccccc21 ZINC000312752944 1120210497 /nfs/dbraw/zinc/21/04/97/1120210497.db2.gz YFJXPNNEYMRVIS-AWEZNQCLSA-N 0 1 293.819 3.805 20 0 CHADMN CC(C)c1cc(C(=O)N2CC[C@@H](C3CCCCC3)C2)n[nH]1 ZINC000618182336 1128898862 /nfs/dbraw/zinc/89/88/62/1128898862.db2.gz FLDHGZYJGOLOQR-CQSZACIVSA-N 0 1 289.423 3.576 20 0 CHADMN FC(F)(F)CCN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000172652033 1120217053 /nfs/dbraw/zinc/21/70/53/1120217053.db2.gz KRJGMCHKATTWAD-CQSZACIVSA-N 0 1 287.325 3.620 20 0 CHADMN FC1(F)CC(NCc2csc(Cl)c2Cl)C1 ZINC000308864326 1120216794 /nfs/dbraw/zinc/21/67/94/1120216794.db2.gz DIZGWPGAXUEJNX-UHFFFAOYSA-N 0 1 272.147 3.942 20 0 CHADMN CCS[C@H]1CC[C@H](N(C)Cc2nc(C)cs2)C1 ZINC000088602516 1120217103 /nfs/dbraw/zinc/21/71/03/1120217103.db2.gz QFITWNAJQMWLDS-RYUDHWBXSA-N 0 1 270.467 3.558 20 0 CHADMN CSCCNCc1csc(Cl)c1Cl ZINC000388202170 1120239519 /nfs/dbraw/zinc/23/95/19/1120239519.db2.gz BKZAHGMUCFLJNB-UHFFFAOYSA-N 0 1 256.223 3.508 20 0 CHADMN CCCC(=Cc1nc([C@H](N)C(C)C)no1)CCC ZINC000843149269 1120253580 /nfs/dbraw/zinc/25/35/80/1120253580.db2.gz LINQRIZDXYYATA-CYBMUJFWSA-N 0 1 251.374 3.709 20 0 CHADMN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@](C(=O)[O-])(C(C)C)C2)c1 ZINC000395248974 1120224729 /nfs/dbraw/zinc/22/47/29/1120224729.db2.gz SSIRURTWAUJHIP-INIZCTEOSA-N 0 1 295.810 3.581 20 0 CHADMN CC(C)[C@@H](N)c1noc(CCCc2ccc(Cl)cc2)n1 ZINC000843147739 1120234537 /nfs/dbraw/zinc/23/45/37/1120234537.db2.gz DTNICXNQHNONEF-CQSZACIVSA-N 0 1 293.798 3.554 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CCC1CCCCCC1 ZINC000656191174 1120236210 /nfs/dbraw/zinc/23/62/10/1120236210.db2.gz OCZVQQGSIFFOSZ-OAHLLOKOSA-N 0 1 269.429 3.778 20 0 CHADMN Oc1cc(F)ccc1-c1cc(C(F)(F)F)ccn1 ZINC000715708243 1120238598 /nfs/dbraw/zinc/23/85/98/1120238598.db2.gz NJDTXENPPSHRLM-UHFFFAOYSA-N 0 1 257.186 3.612 20 0 CHADMN COc1cc2c(cc1F)nccc2NCC[C@H](C)F ZINC000338743826 1120241664 /nfs/dbraw/zinc/24/16/64/1120241664.db2.gz BAOIWKDAXPEVBD-VIFPVBQESA-N 0 1 266.291 3.543 20 0 CHADMN Cc1cc(-c2noc([C@]3(C)CC=CCC3)n2)cc2nc[nH]c21 ZINC000651238461 1120244765 /nfs/dbraw/zinc/24/47/65/1120244765.db2.gz FIWDTLZZZYPGNW-QGZVFWFLSA-N 0 1 294.358 3.919 20 0 CHADMN CC(C)[C@H](N)c1noc([C@H](C)CCCc2ccccc2)n1 ZINC000843149048 1120245101 /nfs/dbraw/zinc/24/51/01/1120245101.db2.gz INOFYODQGGLLHR-HIFRSBDPSA-N 0 1 287.407 3.852 20 0 CHADMN CCc1ccc([C@H](C)Cc2nc([C@@H](N)C(C)C)no2)cc1 ZINC000843148913 1120246282 /nfs/dbraw/zinc/24/62/82/1120246282.db2.gz FTPXHHIZXOSGSD-WBMJQRKESA-N 0 1 287.407 3.634 20 0 CHADMN CC(C)Cc1ccc(Cc2nc([C@@H](N)C(C)C)no2)cc1 ZINC000843148820 1120248679 /nfs/dbraw/zinc/24/86/79/1120248679.db2.gz XKYBPAKESAUKPZ-INIZCTEOSA-N 0 1 287.407 3.515 20 0 CHADMN Cc1c2cccc(C)c2oc1-c1nc([C@@H](N)C(C)C)no1 ZINC000843149260 1120253452 /nfs/dbraw/zinc/25/34/52/1120253452.db2.gz KXYNQATULWOXDO-LBPRGKRZSA-N 0 1 285.347 3.755 20 0 CHADMN C=CCN(CCOC)Cc1cc(Cl)nc2ccccc12 ZINC000191083181 1128902485 /nfs/dbraw/zinc/90/24/85/1128902485.db2.gz SHSNAPNEQBBGEX-UHFFFAOYSA-N 0 1 290.794 3.523 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2cccc(O)c2)s1 ZINC000677755937 1120256038 /nfs/dbraw/zinc/25/60/38/1120256038.db2.gz ZOJMTKDVEXXUOW-ZJUUUORDSA-N 0 1 262.378 3.569 20 0 CHADMN C[C@H](c1ccncc1)N(C)Cc1ccccc1N1CCCC1 ZINC000075586289 1120262131 /nfs/dbraw/zinc/26/21/31/1120262131.db2.gz KKAIPSOVUPGUNH-MRXNPFEDSA-N 0 1 295.430 3.875 20 0 CHADMN C[C@H]1Cc2cc(CNc3ccc4c(c3)CN(C)C4)ccc2O1 ZINC000921879793 1120263664 /nfs/dbraw/zinc/26/36/64/1120263664.db2.gz XPUKLSFWJGXNEM-ZDUSSCGKSA-N 0 1 294.398 3.568 20 0 CHADMN Cc1ccc(-c2noc(CN3CCC[C@@H]4CCC[C@@H]43)n2)cc1 ZINC000075768820 1120266706 /nfs/dbraw/zinc/26/67/06/1120266706.db2.gz ZLISJOOYWIZBQX-HOCLYGCPSA-N 0 1 297.402 3.810 20 0 CHADMN C[N@@H+](CCCOc1ccccc1)Cc1ccnc(Cl)c1 ZINC000063518108 1120266900 /nfs/dbraw/zinc/26/69/00/1120266900.db2.gz YAOORRGAMHAIAF-UHFFFAOYSA-N 0 1 290.794 3.636 20 0 CHADMN CN(CCCOc1ccccc1)Cc1ccnc(Cl)c1 ZINC000063518108 1120266902 /nfs/dbraw/zinc/26/69/02/1120266902.db2.gz YAOORRGAMHAIAF-UHFFFAOYSA-N 0 1 290.794 3.636 20 0 CHADMN CC[C@H](C)C[C@@H](C)Nc1cc(OC(F)F)ccn1 ZINC001168692694 1120269476 /nfs/dbraw/zinc/26/94/76/1120269476.db2.gz JFBGHAIGDSVSTR-VHSXEESVSA-N 0 1 258.312 3.920 20 0 CHADMN Cc1cncc(CN[C@H]2CCCOc3cc(F)ccc32)c1 ZINC000182171681 1120274921 /nfs/dbraw/zinc/27/49/21/1120274921.db2.gz XGHCFXXCVXCMCN-INIZCTEOSA-N 0 1 286.350 3.533 20 0 CHADMN Clc1cccc2c1C[C@@H](NCc1ncccc1Cl)C2 ZINC001168694217 1120275561 /nfs/dbraw/zinc/27/55/61/1120275561.db2.gz VIDRSRYQCPYWQZ-NSHDSACASA-N 0 1 293.197 3.645 20 0 CHADMN COc1ccnc(CN(Cc2ccccc2)C(C)C)c1 ZINC000106933494 1120281641 /nfs/dbraw/zinc/28/16/41/1120281641.db2.gz PWYCCNUOESJAKA-UHFFFAOYSA-N 0 1 270.376 3.501 20 0 CHADMN CC(C)CC1(CNCc2occc2Br)CC1 ZINC000309352476 1120282185 /nfs/dbraw/zinc/28/21/85/1120282185.db2.gz NCPHNHBIXXNEAZ-UHFFFAOYSA-N 0 1 286.213 3.958 20 0 CHADMN Cc1ccc([C@H](C)NCc2nn(C)c3ccccc23)cc1 ZINC000112341638 1120283249 /nfs/dbraw/zinc/28/32/49/1120283249.db2.gz YTSXMLNMZIDOCB-AWEZNQCLSA-N 0 1 279.387 3.733 20 0 CHADMN CC[C@@H](NCc1nn(C)c2ccccc12)c1ccccc1 ZINC000112344475 1120283877 /nfs/dbraw/zinc/28/38/77/1120283877.db2.gz CFEYNEJNNRDWGU-MRXNPFEDSA-N 0 1 279.387 3.814 20 0 CHADMN CCCc1cc(C(=O)N2CCC[C@@H]2c2cccc(C)c2)n[nH]1 ZINC000618338351 1128906079 /nfs/dbraw/zinc/90/60/79/1128906079.db2.gz HIZKIPSQNAIICN-QGZVFWFLSA-N 0 1 297.402 3.648 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1cnc2ccccc2n1 ZINC000659954703 1120307758 /nfs/dbraw/zinc/30/77/58/1120307758.db2.gz LBHLIVZPMNJTNH-CQSZACIVSA-N 0 1 289.382 3.577 20 0 CHADMN CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(F)cc2O)CC1 ZINC000228310526 1120312315 /nfs/dbraw/zinc/31/23/15/1120312315.db2.gz PRJVEBDTKMRJNR-LBPRGKRZSA-N 0 1 293.382 3.820 20 0 CHADMN COC1(C/N=C/c2cc(Cl)cc(Cl)c2O)CCC1 ZINC000182198214 1120316299 /nfs/dbraw/zinc/31/62/99/1120316299.db2.gz XOEJWXIMICUIGS-FRKPEAEDSA-N 0 1 288.174 3.687 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)[C@@H]2c2cccc(F)c2)nc(C)n1 ZINC000659978463 1120320077 /nfs/dbraw/zinc/32/00/77/1120320077.db2.gz GDFLMVZXLJNDDO-KZULUSFZSA-N 0 1 299.393 3.816 20 0 CHADMN Cc1cnc([C@H](C)CNCc2nc(C(C)(C)C)co2)s1 ZINC000921994597 1120322759 /nfs/dbraw/zinc/32/27/59/1120322759.db2.gz DYVNLOJWPLGBNX-SNVBAGLBSA-N 0 1 293.436 3.630 20 0 CHADMN CCc1nc([C@H](C)N2CC[C@@H]2c2ccc(Cl)cc2)n[nH]1 ZINC000659985697 1120323141 /nfs/dbraw/zinc/32/31/41/1120323141.db2.gz QKPWATWQSVELII-GXFFZTMASA-N 0 1 290.798 3.529 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000629365448 1128908212 /nfs/dbraw/zinc/90/82/12/1128908212.db2.gz WJVNQKBYNFWWQJ-GJZGRUSLSA-N 0 1 269.429 3.922 20 0 CHADMN CCC[C@H](C)CCC[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000629360916 1128908483 /nfs/dbraw/zinc/90/84/83/1128908483.db2.gz XBUNVDAJALNJFP-RDJZCZTQSA-N 0 1 291.435 3.831 20 0 CHADMN CC1(C)CCC(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)CC1 ZINC000629377294 1128909136 /nfs/dbraw/zinc/90/91/36/1128909136.db2.gz MKNHGPFKIOBQMC-JYJNAYRXSA-N 0 1 293.451 3.778 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCCC2(CCCC2)CC1 ZINC000656759044 1120339366 /nfs/dbraw/zinc/33/93/66/1120339366.db2.gz UVXWDFVOZUUGGG-AWEZNQCLSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)N1CCOCC2(CC2)C1 ZINC000542989909 1120339901 /nfs/dbraw/zinc/33/99/01/1120339901.db2.gz FAFJIPSWKGJOCS-HNNXBMFYSA-N 0 1 279.811 3.904 20 0 CHADMN Cc1cccc(CN(C)CCc2ccccn2)c1Cl ZINC001236852601 1128909494 /nfs/dbraw/zinc/90/94/94/1128909494.db2.gz YTVXJIDDSDTREU-UHFFFAOYSA-N 0 1 274.795 3.718 20 0 CHADMN COc1ccc(CNCc2cccc(C)c2F)c(C)c1 ZINC000584570468 1120343669 /nfs/dbraw/zinc/34/36/69/1120343669.db2.gz ZBEWLJWDAPBLBT-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cc(F)ncc1F)CCC2 ZINC000295962879 1120345140 /nfs/dbraw/zinc/34/51/40/1120345140.db2.gz HYSCWORLBLTJDT-INIZCTEOSA-N 0 1 288.341 3.835 20 0 CHADMN Clc1ccc([C@@H]2CCN2C[C@@H]2CCCCO2)cc1 ZINC000511565520 1120347402 /nfs/dbraw/zinc/34/74/02/1120347402.db2.gz SZMXRUUGJNWSCO-GJZGRUSLSA-N 0 1 265.784 3.656 20 0 CHADMN Cn1cncc1Nc1c(F)ccc(Cl)c1Cl ZINC001214504404 1120350215 /nfs/dbraw/zinc/35/02/15/1120350215.db2.gz ARAHXTWZJJNPCN-UHFFFAOYSA-N 0 1 260.099 3.610 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000388017428 1120354076 /nfs/dbraw/zinc/35/40/76/1120354076.db2.gz DXJLZJDKOZVMOD-GOSISDBHSA-N 0 1 295.382 3.793 20 0 CHADMN Cn1cc(CNc2ccc3nc[nH]c3c2)c(C2CCCC2)n1 ZINC000922112540 1120370649 /nfs/dbraw/zinc/37/06/49/1120370649.db2.gz FZEISYPCBZRNRN-UHFFFAOYSA-N 0 1 295.390 3.566 20 0 CHADMN CC(C)CN(C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000065962362 1120371941 /nfs/dbraw/zinc/37/19/41/1120371941.db2.gz FYNSWBXGASCVTL-UHFFFAOYSA-N 0 1 296.414 3.880 20 0 CHADMN COc1ccccc1OCCNCc1ccsc1Cl ZINC000312772533 1120375495 /nfs/dbraw/zinc/37/54/95/1120375495.db2.gz UAGPKAMXBMQNKC-UHFFFAOYSA-N 0 1 297.807 3.579 20 0 CHADMN C[C@H](NCc1cc[nH]c1)c1nc2ccccc2n1C(F)F ZINC000641705706 1120379828 /nfs/dbraw/zinc/37/98/28/1120379828.db2.gz SNFWORRJALQDRV-JTQLQIEISA-N 0 1 290.317 3.610 20 0 CHADMN CC(C)(C)c1coc(CNc2cc3c(cn2)CCCC3)n1 ZINC000922142340 1120383245 /nfs/dbraw/zinc/38/32/45/1120383245.db2.gz JXRUDIMMRJJJCN-UHFFFAOYSA-N 0 1 285.391 3.858 20 0 CHADMN c1coc(-c2noc(CN3CCC[C@]4(CC=CCC4)C3)n2)c1 ZINC000114495613 1120385334 /nfs/dbraw/zinc/38/53/34/1120385334.db2.gz MWHLSWJZPCVVOE-QGZVFWFLSA-N 0 1 299.374 3.652 20 0 CHADMN Fc1cccc2c1CCC[C@@H]2NCc1ccnn1C1CCC1 ZINC000922151045 1120389203 /nfs/dbraw/zinc/38/92/03/1120389203.db2.gz YANABJBFPABFPT-SFHVURJKSA-N 0 1 299.393 3.914 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1[C@@H](C)CCC[C@@H]1C ZINC000009997587 1120390831 /nfs/dbraw/zinc/39/08/31/1120390831.db2.gz VQMCOTFBWDEGKC-STQMWFEESA-N 0 1 294.826 3.850 20 0 CHADMN CC(C)n1ccnc1CN1CC[C@H](Cc2ccccc2)C1 ZINC000172851627 1120393598 /nfs/dbraw/zinc/39/35/98/1120393598.db2.gz SAJBMIXWDFVHKA-QGZVFWFLSA-N 0 1 283.419 3.529 20 0 CHADMN CN(Cc1nc2ccccc2s1)[C@H]1C=CCCC1 ZINC000066473490 1120395653 /nfs/dbraw/zinc/39/56/53/1120395653.db2.gz OYZCGADTMVQXAB-LBPRGKRZSA-N 0 1 258.390 3.837 20 0 CHADMN Brc1cccc(CN2CCC3(CCCC3)C2)n1 ZINC000310196739 1120406249 /nfs/dbraw/zinc/40/62/49/1120406249.db2.gz ZVLBKYLQLJUAKD-UHFFFAOYSA-N 0 1 295.224 3.610 20 0 CHADMN Cc1ncc([C@@H](C)N2Cc3ccccc3C(C)(C)C2)c(C)n1 ZINC000682075844 1120407936 /nfs/dbraw/zinc/40/79/36/1120407936.db2.gz ZYFDTROFLOVBIO-CQSZACIVSA-N 0 1 295.430 3.948 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2CCCc3c(F)cccc32)o1 ZINC000628296875 1120408964 /nfs/dbraw/zinc/40/89/64/1120408964.db2.gz BGSFMQPNEJWZOW-OAHLLOKOSA-N 0 1 274.339 3.598 20 0 CHADMN Clc1cnc(CN[C@H]2Cc3cccc(Cl)c3C2)s1 ZINC001168704222 1120409291 /nfs/dbraw/zinc/40/92/91/1120409291.db2.gz LQXUKWFMROHDMH-VIFPVBQESA-N 0 1 299.226 3.707 20 0 CHADMN Cc1cccc(C2=CCN(Cc3cc(C)nc(C)n3)CC2)c1 ZINC000660166451 1120410863 /nfs/dbraw/zinc/41/08/63/1120410863.db2.gz PWDJCKLPEILOMW-UHFFFAOYSA-N 0 1 293.414 3.691 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H]2CCS[C@H]2C)cs1 ZINC000682162168 1120411923 /nfs/dbraw/zinc/41/19/23/1120411923.db2.gz FQUANVIYLAFJLV-DCAQKATOSA-N 0 1 270.467 3.811 20 0 CHADMN COC[C@@H](C)Sc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000078961996 1120415337 /nfs/dbraw/zinc/41/53/37/1120415337.db2.gz RPMMMYXICDMDGB-SSDOTTSWSA-N 0 1 290.310 3.709 20 0 CHADMN Fc1cc(Cl)ccc1CN1CC[C@H](c2cccnc2)C1 ZINC000584716124 1120418480 /nfs/dbraw/zinc/41/84/80/1120418480.db2.gz BQYLFJWLUQHYNM-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN C[C@H](CC(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccsc2)cc1 ZINC000584731961 1120422399 /nfs/dbraw/zinc/42/23/99/1120422399.db2.gz ZJXNBYZWZORSHP-GFCCVEGCSA-N 0 1 289.400 3.710 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000187461617 1120422714 /nfs/dbraw/zinc/42/27/14/1120422714.db2.gz PTIZPJTYXYUUQU-NXEZZACHSA-N 0 1 268.744 3.621 20 0 CHADMN COC[C@]1(C)CCN(Cc2csc(C(F)(F)F)c2)C1 ZINC000628297517 1120423362 /nfs/dbraw/zinc/42/33/62/1120423362.db2.gz AUBWCEHMIMGENQ-GFCCVEGCSA-N 0 1 293.354 3.625 20 0 CHADMN C[C@H]1CCC[C@H](NCc2nccc(C(F)(F)F)n2)CC1 ZINC000641763251 1120425837 /nfs/dbraw/zinc/42/58/37/1120425837.db2.gz WUPJQZCOAGITOS-QWRGUYRKSA-N 0 1 287.329 3.554 20 0 CHADMN CSc1cccc(CN[C@@H](C)c2c(C)noc2C)c1 ZINC000660196367 1120430876 /nfs/dbraw/zinc/43/08/76/1120430876.db2.gz MBFBODMFEROXBG-JTQLQIEISA-N 0 1 276.405 3.864 20 0 CHADMN COc1cc(CN[C@H](CC(C)C)c2ccccc2C)on1 ZINC000660196618 1120433168 /nfs/dbraw/zinc/43/31/68/1120433168.db2.gz FSTSJUMSVRZYGT-MRXNPFEDSA-N 0 1 288.391 3.869 20 0 CHADMN CCc1nc([C@H](C)N[C@H](C)c2c(F)cccc2Cl)n[nH]1 ZINC000660199958 1120435187 /nfs/dbraw/zinc/43/51/87/1120435187.db2.gz DYIMBLBWBUIWBA-BDAKNGLRSA-N 0 1 296.777 3.571 20 0 CHADMN C[C@@H](N[C@H]1COCc2ccccc21)c1ccccc1N(C)C ZINC000417359518 1120435274 /nfs/dbraw/zinc/43/52/74/1120435274.db2.gz ISHVSOGQLGMMGI-KDOFPFPSSA-N 0 1 296.414 3.675 20 0 CHADMN CO[C@H](CN[C@@H](c1ccccc1)c1ccccn1)CC(C)C ZINC000417366949 1120438405 /nfs/dbraw/zinc/43/84/05/1120438405.db2.gz NLIMLXSVVXQCMB-HKUYNNGSSA-N 0 1 298.430 3.822 20 0 CHADMN Cc1c([C@H](C)N[C@H]2COCc3ccccc32)cnn1C(C)C ZINC000417371720 1120439406 /nfs/dbraw/zinc/43/94/06/1120439406.db2.gz VVWPXPPLUKOMPE-UGSOOPFHSA-N 0 1 299.418 3.695 20 0 CHADMN c1ccc2c(c1)COC[C@@H]2N[C@@H]1CCCNc2ccccc21 ZINC000417373434 1120439835 /nfs/dbraw/zinc/43/98/35/1120439835.db2.gz YBEOZDIXORDAME-MOPGFXCFSA-N 0 1 294.398 3.795 20 0 CHADMN Cc1cnc(CNc2ccc3c(c2)nc2n3CCCCC2)o1 ZINC000922171150 1120444762 /nfs/dbraw/zinc/44/47/62/1120444762.db2.gz IGMXAFLWBKZYCM-UHFFFAOYSA-N 0 1 296.374 3.671 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+]1CCCCC[C@@H]1CC ZINC000584785997 1120446056 /nfs/dbraw/zinc/44/60/56/1120446056.db2.gz WTMILCVIZSXYCE-ZDUSSCGKSA-N 0 1 279.380 3.695 20 0 CHADMN CC[C@H](CC(F)F)CN1CCO[C@@H](Cc2ccccc2)C1 ZINC000660215253 1120447562 /nfs/dbraw/zinc/44/75/62/1120447562.db2.gz OQZHQFOJYMHHNH-ZBFHGGJFSA-N 0 1 297.389 3.611 20 0 CHADMN CN(Cc1ccn(C2CCCC2)n1)C[C@H]1CC=CCC1 ZINC000543174900 1120451607 /nfs/dbraw/zinc/45/16/07/1120451607.db2.gz FADAJCYATOGIED-HNNXBMFYSA-N 0 1 273.424 3.786 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N(C)C[C@@H]1CC=CCC1 ZINC000543173745 1120452575 /nfs/dbraw/zinc/45/25/75/1120452575.db2.gz ZNNQQGFYYHIXKN-CHWSQXEVSA-N 0 1 277.412 3.716 20 0 CHADMN Cc1c[nH]c(CN[C@H]2c3ccccc3CCC[C@H]2C)n1 ZINC000657433962 1120456045 /nfs/dbraw/zinc/45/60/45/1120456045.db2.gz CRVPQOOINCJVCB-SJKOYZFVSA-N 0 1 269.392 3.521 20 0 CHADMN COC[C@@H]1CCCCN([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000364145576 1120456096 /nfs/dbraw/zinc/45/60/96/1120456096.db2.gz DQCACJRTXLSBEX-UONOGXRCSA-N 0 1 294.439 3.782 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000389890188 1120458095 /nfs/dbraw/zinc/45/80/95/1120458095.db2.gz KAHUJVNKJVEABB-GLJUWKHASA-N 0 1 297.398 3.943 20 0 CHADMN CCCCCN(CCCCC)Cc1noc2c1COCC2 ZINC000929277803 1120459106 /nfs/dbraw/zinc/45/91/06/1120459106.db2.gz VOKVDNYOZJXIBL-UHFFFAOYSA-N 0 1 294.439 3.930 20 0 CHADMN CC(C)c1cc(C(=O)N(CC2CC2)C2CCCCC2)n[nH]1 ZINC000068159106 1120466350 /nfs/dbraw/zinc/46/63/50/1120466350.db2.gz AWLKKLGLMVNUHH-UHFFFAOYSA-N 0 1 289.423 3.718 20 0 CHADMN CC[C@H]1C[C@H](N[C@H](C)c2ccc(F)cc2Cl)CO1 ZINC000657476661 1120467088 /nfs/dbraw/zinc/46/70/88/1120467088.db2.gz RXKWVWZZLDCQPI-USWWRNFRSA-N 0 1 271.763 3.697 20 0 CHADMN O=C(c1ccc(Cl)cc1O)N1CCCc2ccccc21 ZINC000019839188 1120472358 /nfs/dbraw/zinc/47/23/58/1120472358.db2.gz WSQMHWNOQMWYHD-UHFFFAOYSA-N 0 1 287.746 3.639 20 0 CHADMN CCn1cncc1CN(C)[C@H](C)c1cc(C)ccc1C ZINC000417711589 1120476201 /nfs/dbraw/zinc/47/62/01/1120476201.db2.gz QFEYGTYEXQYGGZ-OAHLLOKOSA-N 0 1 271.408 3.713 20 0 CHADMN Cc1cc(CN(C)Cc2cccc3ccccc32)n(C)n1 ZINC000417712320 1120476755 /nfs/dbraw/zinc/47/67/55/1120476755.db2.gz ZDJOZIIEWGQRCA-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN CC[C@@H](CN[C@@H](C)c1nc(C(C)(C)C)no1)CC(F)F ZINC000660271445 1120476950 /nfs/dbraw/zinc/47/69/50/1120476950.db2.gz DWGJKLGCODOYRP-VHSXEESVSA-N 0 1 289.370 3.699 20 0 CHADMN CO[C@H]1CCC[C@H]1Sc1nc2ccc(Cl)cc2[nH]1 ZINC000543265986 1120477020 /nfs/dbraw/zinc/47/70/20/1120477020.db2.gz DCDRQYCOQGOJFK-NWDGAFQWSA-N 0 1 282.796 3.876 20 0 CHADMN CC(C)(C)OC1CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000092454371 1128919028 /nfs/dbraw/zinc/91/90/28/1128919028.db2.gz PCSOWZHWDFKEHK-UHFFFAOYSA-N 0 1 294.464 3.800 20 0 CHADMN CCC1(CC)CN(Cc2cc(C3CC3)no2)CCS1 ZINC000660289882 1120485065 /nfs/dbraw/zinc/48/50/65/1120485065.db2.gz MTBGGJARDDKZNN-UHFFFAOYSA-N 0 1 280.437 3.660 20 0 CHADMN CCc1nocc1CN1Cc2ccccc2C[C@H]1CC ZINC000660290403 1120485243 /nfs/dbraw/zinc/48/52/43/1120485243.db2.gz NKHQMKKBMHMVQG-MRXNPFEDSA-N 0 1 270.376 3.574 20 0 CHADMN CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(C2CC2)no1 ZINC000660289247 1120485344 /nfs/dbraw/zinc/48/53/44/1120485344.db2.gz GFCGSJIPARHDFD-MRXNPFEDSA-N 0 1 282.387 3.889 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1Cc1cc(C2CC2)no1 ZINC000660289247 1120485348 /nfs/dbraw/zinc/48/53/48/1120485348.db2.gz GFCGSJIPARHDFD-MRXNPFEDSA-N 0 1 282.387 3.889 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCC[C@@H](C)CC2)n1 ZINC000068837751 1120485780 /nfs/dbraw/zinc/48/57/80/1120485780.db2.gz PVXFBJWBXTVKNV-CYBMUJFWSA-N 0 1 285.391 3.667 20 0 CHADMN Fc1cccc(-n2ccc(CN(C3CCC3)C3CCC3)n2)c1 ZINC000644784852 1120488231 /nfs/dbraw/zinc/48/82/31/1120488231.db2.gz OSBJGWJYARKPOK-UHFFFAOYSA-N 0 1 299.393 3.918 20 0 CHADMN C[C@H](NCc1cc(Cl)cc(Cl)c1N)c1cccnc1 ZINC001200459651 1120493724 /nfs/dbraw/zinc/49/37/24/1120493724.db2.gz HJLFQBXJABYGNA-VIFPVBQESA-N 0 1 296.201 3.821 20 0 CHADMN C[C@@H](NCc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000019943892 1120497144 /nfs/dbraw/zinc/49/71/44/1120497144.db2.gz RVERLHWSZOTPQE-SNVBAGLBSA-N 0 1 265.278 3.955 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2cccc(Cl)c2)c(C)nn1 ZINC000929291232 1120502821 /nfs/dbraw/zinc/50/28/21/1120502821.db2.gz MZLBDRDLYQCJPQ-CYBMUJFWSA-N 0 1 289.810 3.940 20 0 CHADMN C[C@@H](N[C@H](c1cccnc1)C1CC1)c1cnn(C2CCC2)c1 ZINC000925642083 1120505563 /nfs/dbraw/zinc/50/55/63/1120505563.db2.gz DWDHIBMGCRBAJT-ACJLOTCBSA-N 0 1 296.418 3.805 20 0 CHADMN CCCn1nccc1CNCc1ccc(Cl)c(Cl)c1 ZINC000657660104 1120506151 /nfs/dbraw/zinc/50/61/51/1120506151.db2.gz GLMIFMKYROPWAQ-UHFFFAOYSA-N 0 1 298.217 3.890 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2C)ccc1Br ZINC000500092752 1120508818 /nfs/dbraw/zinc/50/88/18/1120508818.db2.gz QPDJUKVQLDCXHT-NSHDSACASA-N 0 1 268.198 3.742 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2CCCCC(=O)[O-])cc1C ZINC000364235080 1120514474 /nfs/dbraw/zinc/51/44/74/1120514474.db2.gz HTRLXPOXGBIJHU-INIZCTEOSA-N 0 1 275.392 3.695 20 0 CHADMN Cc1ccc2[nH]c(NCc3nc(C(C)(C)C)co3)nc2c1 ZINC000922337173 1120519516 /nfs/dbraw/zinc/51/95/16/1120519516.db2.gz BUJOTSLAJJAWQX-UHFFFAOYSA-N 0 1 284.363 3.769 20 0 CHADMN CCc1nc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)cs1 ZINC000355071029 1120521128 /nfs/dbraw/zinc/52/11/28/1120521128.db2.gz AVVSOHRLRARXAP-WOPDTQHZSA-N 0 1 252.427 3.572 20 0 CHADMN CCC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)c2ccccc2)C1 ZINC000466487486 1120523626 /nfs/dbraw/zinc/52/36/26/1120523626.db2.gz CKCGAHTWUDHCQY-HZPDHXFCSA-N 0 1 288.435 3.550 20 0 CHADMN Cc1ccc(CNCCOCc2ccc(Cl)cc2)o1 ZINC000158517722 1120535473 /nfs/dbraw/zinc/53/54/73/1120535473.db2.gz AYOXISSOJNQDQP-UHFFFAOYSA-N 0 1 279.767 3.548 20 0 CHADMN Cc1ncsc1CNCc1ccc(C(F)(F)F)s1 ZINC000428848912 1120535761 /nfs/dbraw/zinc/53/57/61/1120535761.db2.gz KDVFYLZFDUOFSL-UHFFFAOYSA-N 0 1 292.351 3.822 20 0 CHADMN COc1cncc(C[N@@H+](C)[C@H](c2ccccc2)C(C)C)c1 ZINC000343862660 1120539733 /nfs/dbraw/zinc/53/97/33/1120539733.db2.gz MKQZDGQMWFZYQE-SFHVURJKSA-N 0 1 284.403 3.919 20 0 CHADMN CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000660370664 1120540170 /nfs/dbraw/zinc/54/01/70/1120540170.db2.gz JOUMKPYZTXVBHA-KFWWJZLASA-N 0 1 299.336 3.586 20 0 CHADMN CO[C@@]1(C(F)(F)F)CCCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000660370664 1120540173 /nfs/dbraw/zinc/54/01/73/1120540173.db2.gz JOUMKPYZTXVBHA-KFWWJZLASA-N 0 1 299.336 3.586 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(F)cc2F)cc1 ZINC000019909213 1120544793 /nfs/dbraw/zinc/54/47/93/1120544793.db2.gz SBSAQVXHVHIRSG-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2nn(C)cc21)c1ccccc1F ZINC000282361835 1120548455 /nfs/dbraw/zinc/54/84/55/1120548455.db2.gz HSWBHFVNKAGRHK-JKSUJKDBSA-N 0 1 287.382 3.678 20 0 CHADMN FC(F)c1ccc(CN[C@@H](c2ccccn2)C2CC2)cn1 ZINC000922581622 1120555426 /nfs/dbraw/zinc/55/54/26/1120555426.db2.gz KEKLAGKUUOZCNE-OAHLLOKOSA-N 0 1 289.329 3.655 20 0 CHADMN COc1cc(CN[C@@H](c2ccccn2)C2CC2)ccc1C ZINC000922584411 1120556119 /nfs/dbraw/zinc/55/61/19/1120556119.db2.gz JWPMKMHISCWZHQ-GOSISDBHSA-N 0 1 282.387 3.640 20 0 CHADMN COc1ccc(C)cc1CN[C@H](c1ccccn1)C1CC1 ZINC000922586085 1120558512 /nfs/dbraw/zinc/55/85/12/1120558512.db2.gz KJHOWLKCSZQTMQ-SFHVURJKSA-N 0 1 282.387 3.640 20 0 CHADMN CCn1nc(C)c(CN[C@@H](C)c2cc3cnccc3o2)c1C ZINC000657866703 1120563362 /nfs/dbraw/zinc/56/33/62/1120563362.db2.gz BDXIRVNPHCRTSC-LBPRGKRZSA-N 0 1 298.390 3.512 20 0 CHADMN CCCc1ccc([C@@H](NCc2cn(C)cn2)C(C)C)cc1 ZINC000673599025 1120566845 /nfs/dbraw/zinc/56/68/45/1120566845.db2.gz AQADCTGHBOHGJH-SFHVURJKSA-N 0 1 285.435 3.860 20 0 CHADMN [O-]c1cccc(C[NH2+]C2CC3(CCC3)C2)c1Br ZINC000652042055 1120567691 /nfs/dbraw/zinc/56/76/91/1120567691.db2.gz AXKPZCQVDZGONS-UHFFFAOYSA-N 0 1 296.208 3.577 20 0 CHADMN CC(C)(O)C=CN=c1[nH]c2cccc(Cl)c2s1 ZINC001203210135 1120569511 /nfs/dbraw/zinc/56/95/11/1120569511.db2.gz XPGDZVONNYNQKM-VOTSOKGWSA-N 0 1 268.769 3.646 20 0 CHADMN CC(C)(/C=C/Cl)NCc1cnc(-c2ccncc2)s1 ZINC000922644049 1120570512 /nfs/dbraw/zinc/57/05/12/1120570512.db2.gz FGRCFODXNSEJNY-AATRIKPKSA-N 0 1 293.823 3.826 20 0 CHADMN C[C@@H](CCc1ccc2c(c1)OCO2)N[C@@H]1CCCC1(F)F ZINC000398144435 1120574298 /nfs/dbraw/zinc/57/42/98/1120574298.db2.gz XBPBHKMSAZGYNU-XHDPSFHLSA-N 0 1 297.345 3.514 20 0 CHADMN C[C@H](CCc1ccc2c(c1)OCO2)N[C@@H]1CCCC1(F)F ZINC000398143664 1120574352 /nfs/dbraw/zinc/57/43/52/1120574352.db2.gz XBPBHKMSAZGYNU-IAQYHMDHSA-N 0 1 297.345 3.514 20 0 CHADMN Cn1cnc(CN[C@H]2CC(C)(C)CCc3ccccc32)c1 ZINC000673608397 1120574962 /nfs/dbraw/zinc/57/49/62/1120574962.db2.gz VVWZGRAPUBMJMU-KRWDZBQOSA-N 0 1 283.419 3.614 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1ccnn1CC(C)C ZINC000922667243 1120575554 /nfs/dbraw/zinc/57/55/54/1120575554.db2.gz JZHHSHPJQVVHNL-CQSZACIVSA-N 0 1 289.398 3.837 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1cnn(C(C)C)c1 ZINC000922666804 1120575704 /nfs/dbraw/zinc/57/57/04/1120575704.db2.gz DSHBODYFPVFWGJ-ZDUSSCGKSA-N 0 1 275.371 3.762 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)[C@H](C)c1cnc(C)cn1 ZINC000428941271 1120578028 /nfs/dbraw/zinc/57/80/28/1120578028.db2.gz ICEARKRYLUOBFZ-HFQYIWAZSA-N 0 1 281.403 3.881 20 0 CHADMN C[C@]1(O)CCCCN(Cc2c(Cl)cccc2Cl)C1 ZINC001203416313 1120579463 /nfs/dbraw/zinc/57/94/63/1120579463.db2.gz DVUQFNIZEYZNHU-AWEZNQCLSA-N 0 1 288.218 3.730 20 0 CHADMN Fc1ccccc1CNCc1cccc2cccnc21 ZINC000020091166 1120583545 /nfs/dbraw/zinc/58/35/45/1120583545.db2.gz UBLIMHDJWJKHDC-UHFFFAOYSA-N 0 1 266.319 3.664 20 0 CHADMN CCc1ccc2ccccc2c1CNCc1cc(C)n(C)n1 ZINC000922716817 1120585905 /nfs/dbraw/zinc/58/59/05/1120585905.db2.gz SFEVMIVHRJQLDD-UHFFFAOYSA-N 0 1 293.414 3.734 20 0 CHADMN CCc1ccc2ccccc2c1CNCc1cnc(C)o1 ZINC000922717841 1120586534 /nfs/dbraw/zinc/58/65/34/1120586534.db2.gz YFSZUFBCMYJYSI-UHFFFAOYSA-N 0 1 280.371 3.988 20 0 CHADMN c1nc2c(nccc2NCCc2ccc3ccccc3c2)[nH]1 ZINC001168733019 1120587139 /nfs/dbraw/zinc/58/71/39/1120587139.db2.gz FAAWFADXEHGKCP-UHFFFAOYSA-N 0 1 288.354 3.766 20 0 CHADMN CCCOc1ccc(C(C)(C)NCc2cc(C)ncn2)cc1 ZINC000428990854 1120602018 /nfs/dbraw/zinc/60/20/18/1120602018.db2.gz IGXARWAFQGRYCR-UHFFFAOYSA-N 0 1 299.418 3.599 20 0 CHADMN Cc1cc(CN2CCC(F)(c3ccccc3)CC2)nc(C)n1 ZINC000660435142 1120605755 /nfs/dbraw/zinc/60/57/55/1120605755.db2.gz FPZNETSZGBIGOP-UHFFFAOYSA-N 0 1 299.393 3.554 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000780928438 1120607241 /nfs/dbraw/zinc/60/72/41/1120607241.db2.gz SGQYOCMAGODDQF-GUYCJALGSA-N 0 1 293.455 3.762 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000322922949 1120609962 /nfs/dbraw/zinc/60/99/62/1120609962.db2.gz LFYXEVDUOIQYDI-WGLAMXGCSA-N 0 1 287.403 3.523 20 0 CHADMN C[C@H]1C[C@@]1(NCc1cccnc1)c1ccc(Cl)cc1 ZINC000500400769 1120610510 /nfs/dbraw/zinc/61/05/10/1120610510.db2.gz IATXLQDJDCKAQH-LRDDRELGSA-N 0 1 272.779 3.760 20 0 CHADMN c1nc(C2CCC2)sc1CN[C@H]1CCCc2cccnc21 ZINC000922882054 1120618861 /nfs/dbraw/zinc/61/88/61/1120618861.db2.gz MSDHDZYDANBAOD-HNNXBMFYSA-N 0 1 299.443 3.973 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc(C)oc2C)cc1 ZINC000020437836 1120621092 /nfs/dbraw/zinc/62/10/92/1120621092.db2.gz UBCWKQHKFRHVOD-LBPRGKRZSA-N 0 1 259.349 3.756 20 0 CHADMN CC(C)CCC[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000429043338 1120627143 /nfs/dbraw/zinc/62/71/43/1120627143.db2.gz FHSYIYWYOYEDHJ-MRXNPFEDSA-N 0 1 265.397 3.697 20 0 CHADMN Cn1c(CN[C@H]2CCCc3cccnc32)cc2ccccc21 ZINC000922885273 1120628621 /nfs/dbraw/zinc/62/86/21/1120628621.db2.gz LTWOVRSCSVNLTR-KRWDZBQOSA-N 0 1 291.398 3.741 20 0 CHADMN CC1(CN2CCCC[C@H]2c2ccc(F)cc2F)COC1 ZINC000432038018 1120629433 /nfs/dbraw/zinc/62/94/33/1120629433.db2.gz HPHYPNWSBUYAKI-HNNXBMFYSA-N 0 1 281.346 3.528 20 0 CHADMN CN1Cc2ccc(NCc3cc(O)cc(Cl)c3)cc2C1 ZINC000893376858 1120630239 /nfs/dbraw/zinc/63/02/39/1120630239.db2.gz RARWZROIPGGCAR-UHFFFAOYSA-N 0 1 288.778 3.603 20 0 CHADMN Cc1ncc(CN(C)CCOc2cc(C)cc(C)c2)s1 ZINC000047258931 1120644388 /nfs/dbraw/zinc/64/43/88/1120644388.db2.gz JXAWCGRJBZHZNG-UHFFFAOYSA-N 0 1 290.432 3.579 20 0 CHADMN CO[C@H](CN1CCCC[C@@H]1c1cc[nH]n1)C1CCCCC1 ZINC000660536062 1120653380 /nfs/dbraw/zinc/65/33/80/1120653380.db2.gz NVRAAVMPNJAVFW-IAGOWNOFSA-N 0 1 291.439 3.532 20 0 CHADMN Cc1cccc(CN2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1 ZINC000511837988 1120660823 /nfs/dbraw/zinc/66/08/23/1120660823.db2.gz KVIQSNGVFFIJCE-VQIMIIECSA-N 0 1 281.399 3.957 20 0 CHADMN COc1cncc(CN[C@H](c2ccccc2C)C(C)(C)C)n1 ZINC000625299250 1120663451 /nfs/dbraw/zinc/66/34/51/1120663451.db2.gz GSHNUOVUQYGPRR-QGZVFWFLSA-N 0 1 299.418 3.671 20 0 CHADMN Clc1sccc1CN1CC[C@@H](c2ccncc2)C1 ZINC000660575140 1120663890 /nfs/dbraw/zinc/66/38/90/1120663890.db2.gz SUXOBMXBNFUYKE-GFCCVEGCSA-N 0 1 278.808 3.786 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2nc(C)no2)CC[C@H]1c1ccccc1 ZINC000673755152 1120668581 /nfs/dbraw/zinc/66/85/81/1120668581.db2.gz UKUUYDRRFHZTCH-YSVLISHTSA-N 0 1 299.418 3.955 20 0 CHADMN Cc1nc([C@@](C)(NC[C@@H]2CCCCC2(C)C)C2CC2)no1 ZINC000660632910 1120670400 /nfs/dbraw/zinc/67/04/00/1120670400.db2.gz RBSQAGQBDVDRQO-YOEHRIQHSA-N 0 1 291.439 3.809 20 0 CHADMN c1ccc([C@@H]2CCCN(Cc3nc4ccccc4o3)C2)nc1 ZINC000660629412 1120670734 /nfs/dbraw/zinc/67/07/34/1120670734.db2.gz UBJPUTZAGNMTPM-CQSZACIVSA-N 0 1 293.370 3.602 20 0 CHADMN CN(Cc1ncc(Cl)n1C)C1CCCCCCC1 ZINC000195412386 1120671071 /nfs/dbraw/zinc/67/10/71/1120671071.db2.gz OMCJTBCTFRJJPA-UHFFFAOYSA-N 0 1 269.820 3.618 20 0 CHADMN CN(Cc1ccncc1Br)C1(C)CCCC1 ZINC000625379096 1120675094 /nfs/dbraw/zinc/67/50/94/1120675094.db2.gz YRGZTRWNIYWUJU-UHFFFAOYSA-N 0 1 283.213 3.609 20 0 CHADMN Cn1cc(-c2ccc([C@@H]3COCCN3)cc2)c2ccccc21 ZINC000629746182 1128932454 /nfs/dbraw/zinc/93/24/54/1128932454.db2.gz VJBQCXPMWZFLTJ-SFHVURJKSA-N 0 1 292.382 3.506 20 0 CHADMN FC(F)(F)[C@H]1CCCN(Cc2cc3cnccc3o2)C1 ZINC000651607399 1120679254 /nfs/dbraw/zinc/67/92/54/1120679254.db2.gz OABCJWJUTXFDTM-NSHDSACASA-N 0 1 284.281 3.602 20 0 CHADMN CCC[C@@H](C)CCCN1CCC[C@H]1c1nc(C)no1 ZINC000625429234 1120679546 /nfs/dbraw/zinc/67/95/46/1120679546.db2.gz UBLRQACMHHEAEO-OCCSQVGLSA-N 0 1 265.401 3.731 20 0 CHADMN Cn1cccc1[C@@H]1CCCN1Cc1cc2cnccc2o1 ZINC000651608732 1120680083 /nfs/dbraw/zinc/68/00/83/1120680083.db2.gz BMRPGYLOUASHOT-INIZCTEOSA-N 0 1 281.359 3.503 20 0 CHADMN Clc1ccc2ncc(CN3CCC[C@@H]4CCC[C@@H]43)n2c1 ZINC000511872701 1120681782 /nfs/dbraw/zinc/68/17/82/1120681782.db2.gz IZXRHEJMUDJRBF-WFASDCNBSA-N 0 1 289.810 3.752 20 0 CHADMN C[C@@H]1CCCC[C@]1(C)NCc1nnc(C(F)(F)F)s1 ZINC000660769442 1120686475 /nfs/dbraw/zinc/68/64/75/1120686475.db2.gz YWGSUHZLDBAHEV-KCJUWKMLSA-N 0 1 293.358 3.615 20 0 CHADMN Clc1ccc(CN[C@@H]2CCCc3n[nH]cc32)c(Cl)c1 ZINC000334312866 1120691734 /nfs/dbraw/zinc/69/17/34/1120691734.db2.gz LDPWCFXVHAIMRX-CYBMUJFWSA-N 0 1 296.201 3.884 20 0 CHADMN CCCOc1ccc(-n2c(N)nc3c2cccc3C)cc1F ZINC001211663374 1120695898 /nfs/dbraw/zinc/69/58/98/1120695898.db2.gz HBBYXSINJLOUOX-UHFFFAOYSA-N 0 1 299.349 3.844 20 0 CHADMN CC(C)(C)c1cnc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)o1 ZINC000572546031 1128934034 /nfs/dbraw/zinc/93/40/34/1128934034.db2.gz IXRCSWXGEUCRII-OLZOCXBDSA-N 0 1 276.424 3.983 20 0 CHADMN Cc1ccc2sc(CN3CC[C@@]4(CC4(F)F)C3)nc2c1 ZINC000625513568 1120696742 /nfs/dbraw/zinc/69/67/42/1120696742.db2.gz WPOMAZKBDNGGMA-CQSZACIVSA-N 0 1 294.370 3.836 20 0 CHADMN Fc1ccccc1-c1nc(CN2C[C@@H]3CCCC[C@@H]32)co1 ZINC000625518425 1120697083 /nfs/dbraw/zinc/69/70/83/1120697083.db2.gz AQUVVNMUZHXQGE-LRDDRELGSA-N 0 1 286.350 3.855 20 0 CHADMN CO[C@@H](CN1CCc2sc(Cl)cc2C1)C1CCC1 ZINC000660897446 1120699648 /nfs/dbraw/zinc/69/96/48/1120699648.db2.gz KDXMIIORXIFGNY-LBPRGKRZSA-N 0 1 285.840 3.575 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000629772634 1128934267 /nfs/dbraw/zinc/93/42/67/1128934267.db2.gz UGWQANMJPTWNEG-KKUMJFAQSA-N 0 1 269.429 3.636 20 0 CHADMN Cc1cccc(CN[C@@H]2c3ccccc3O[C@H]2C)c1C ZINC000673950642 1120699885 /nfs/dbraw/zinc/69/98/85/1120699885.db2.gz ZTONPGBUENOBLF-KSSFIOAISA-N 0 1 267.372 3.915 20 0 CHADMN Cc1cc(CNC2(c3ccccc3C)CCC2)nc(C)n1 ZINC000660908623 1120700752 /nfs/dbraw/zinc/70/07/52/1120700752.db2.gz CINJBNOMKIIUDS-UHFFFAOYSA-N 0 1 281.403 3.571 20 0 CHADMN c1ccc2c(c1)snc2CN1CCC12CCCC2 ZINC000660910221 1120701859 /nfs/dbraw/zinc/70/18/59/1120701859.db2.gz XCYZGVNENMGHOL-UHFFFAOYSA-N 0 1 258.390 3.815 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2C[C@@H]3CCCC[C@@H]32)c(C)c1 ZINC000660928270 1120702054 /nfs/dbraw/zinc/70/20/54/1120702054.db2.gz LXTJYOSQHJHBDD-ZOBUZTSGSA-N 0 1 286.419 3.505 20 0 CHADMN COc1ccc2nc(CN3C[C@@H]4CCCC[C@@H]43)sc2c1 ZINC000660930504 1120702317 /nfs/dbraw/zinc/70/23/17/1120702317.db2.gz IUEXHMBVJJPFGL-FZMZJTMJSA-N 0 1 288.416 3.679 20 0 CHADMN Cc1cc(CN[C@H]2c3ccccc3O[C@@H]2C)ccc1F ZINC000673962319 1120702932 /nfs/dbraw/zinc/70/29/32/1120702932.db2.gz HNUZJMMDEDWWAB-SJKOYZFVSA-N 0 1 271.335 3.746 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@H](C)N2C[C@@H]3CCCC[C@@H]32)c1 ZINC000660927831 1120703004 /nfs/dbraw/zinc/70/30/04/1120703004.db2.gz GPNVFLDUYFHUOL-ZOBUZTSGSA-N 0 1 286.419 3.505 20 0 CHADMN CCCOc1ccc(-n2c(N)nc3ccccc32)cc1F ZINC001211663606 1120706882 /nfs/dbraw/zinc/70/68/82/1120706882.db2.gz RWWYXVRUGXFOQI-UHFFFAOYSA-N 0 1 285.322 3.536 20 0 CHADMN Cc1c(C)c(C)c(C[N@@H+](C)Cc2cnc[nH]2)c(C)c1C ZINC000661085834 1120714799 /nfs/dbraw/zinc/71/47/99/1120714799.db2.gz QXWWFYXBQKSPTB-UHFFFAOYSA-N 0 1 271.408 3.584 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1c[nH]cn1)c1ccc(C(F)(F)F)cc1 ZINC000661091471 1120715621 /nfs/dbraw/zinc/71/56/21/1120715621.db2.gz ZETSEHFXAKIDCO-LLVKDONJSA-N 0 1 297.324 3.664 20 0 CHADMN CC[C@@H](C)N(CC)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000661103378 1120717289 /nfs/dbraw/zinc/71/72/89/1120717289.db2.gz AFDPDRZURKSNRE-SNVBAGLBSA-N 0 1 293.798 3.609 20 0 CHADMN CCC[C@@H](NCc1cc2cnccc2o1)c1ccccn1 ZINC000651703714 1120718861 /nfs/dbraw/zinc/71/88/61/1120718861.db2.gz JGXYODLPTFRIKW-OAHLLOKOSA-N 0 1 281.359 3.854 20 0 CHADMN Cc1cc(=O)[n-]c([C@@H](C)[NH2+][C@H]2CCCC23CCCCC3)n1 ZINC000661126663 1120722408 /nfs/dbraw/zinc/72/24/08/1120722408.db2.gz GZDVPKPAODCJQE-KGLIPLIRSA-N 0 1 289.423 3.644 20 0 CHADMN CCOc1nnc(CN[C@@H]2CCCC23CCCCC3)s1 ZINC000661128643 1120725825 /nfs/dbraw/zinc/72/58/25/1120725825.db2.gz LPRBDIWZTMGSBJ-GFCCVEGCSA-N 0 1 295.452 3.529 20 0 CHADMN Cc1cnc(C(C)(C)NCc2cccc3c2CCC3)s1 ZINC000651730265 1120728191 /nfs/dbraw/zinc/72/81/91/1120728191.db2.gz FKWKQVJKEAFWMI-UHFFFAOYSA-N 0 1 286.444 3.965 20 0 CHADMN CCc1nc(C)c(CN2CCC(c3ccco3)CC2)o1 ZINC000661161748 1120729305 /nfs/dbraw/zinc/72/93/05/1120729305.db2.gz XMMARQOFJXMBGB-UHFFFAOYSA-N 0 1 274.364 3.518 20 0 CHADMN Cc1cccc(NC(=O)CN(CCC(C)C)C2CC2)c1C ZINC000044898428 1120737552 /nfs/dbraw/zinc/73/75/52/1120737552.db2.gz MKVMGTWCELXTLM-UHFFFAOYSA-N 0 1 288.435 3.752 20 0 CHADMN CCCN(Cc1cnc(C2CC2)s1)C[C@H]1CCCCO1 ZINC000093132513 1128937005 /nfs/dbraw/zinc/93/70/05/1128937005.db2.gz WKUSLGFFLIWBED-CQSZACIVSA-N 0 1 294.464 3.802 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cc2cnccc2o1 ZINC000651790405 1120746654 /nfs/dbraw/zinc/74/66/54/1120746654.db2.gz WIHZLCZIOKHDJG-BXKDBHETSA-N 0 1 284.281 3.601 20 0 CHADMN COc1cc(OC)c(CN[C@H](C)c2ccsc2)cc1F ZINC000651795558 1120748224 /nfs/dbraw/zinc/74/82/24/1120748224.db2.gz FOMNVYXJKCEPJO-SNVBAGLBSA-N 0 1 295.379 3.755 20 0 CHADMN CC(C)c1nc(CN2CCC[C@@](C)(F)C2)c2ccccn21 ZINC000651818145 1120753922 /nfs/dbraw/zinc/75/39/22/1120753922.db2.gz LVNJAFAQIFOMIX-QGZVFWFLSA-N 0 1 289.398 3.782 20 0 CHADMN Cc1ccc2c(c1)CN([C@@H](C)c1ccccn1)CC2 ZINC000661371075 1120756216 /nfs/dbraw/zinc/75/62/16/1120756216.db2.gz CAGDCRZIFOHVHZ-AWEZNQCLSA-N 0 1 252.361 3.509 20 0 CHADMN CCCc1cc(C(=O)N(C)[C@@H](C)c2ccc(C)cc2)n[nH]1 ZINC000045418148 1120757696 /nfs/dbraw/zinc/75/76/96/1120757696.db2.gz SZDJKDMLKWSIAT-ZDUSSCGKSA-N 0 1 285.391 3.504 20 0 CHADMN Cc1cc(C)cc(OCCCN[C@@H](C)c2cscn2)c1 ZINC000661422753 1120763900 /nfs/dbraw/zinc/76/39/00/1120763900.db2.gz QVNDZTHTVKJGLV-AWEZNQCLSA-N 0 1 290.432 3.880 20 0 CHADMN CCC(=O)CCCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661436712 1120763909 /nfs/dbraw/zinc/76/39/09/1120763909.db2.gz VCOREIFQNBRJHU-MRXNPFEDSA-N 0 1 275.392 3.956 20 0 CHADMN Cc1ccc(C)c(OCCCN[C@@H](C)c2cscn2)c1 ZINC000661424587 1120764244 /nfs/dbraw/zinc/76/42/44/1120764244.db2.gz ZHBHCBCMDAWZQX-AWEZNQCLSA-N 0 1 290.432 3.880 20 0 CHADMN CSc1ccccc1CN1CC2(CCC2)OC[C@H]1C ZINC000661469975 1120769026 /nfs/dbraw/zinc/76/90/26/1120769026.db2.gz PVZQYYSYPINIRY-CYBMUJFWSA-N 0 1 277.433 3.552 20 0 CHADMN C[C@@H](O)[C@H](NCc1cccc2c1CCC2)c1ccccc1F ZINC000651891996 1120770860 /nfs/dbraw/zinc/77/08/60/1120770860.db2.gz YHYXKIRFJNECOG-YJYMSZOUSA-N 0 1 299.389 3.526 20 0 CHADMN CCc1cccc(CN[C@@H](c2ccccc2F)[C@@H](C)O)c1 ZINC000651891689 1120771654 /nfs/dbraw/zinc/77/16/54/1120771654.db2.gz ILIZLISGTZVZSR-FZKQIMNGSA-N 0 1 287.378 3.600 20 0 CHADMN Fc1ccc([C@@H]2CCN2CCc2noc3ccccc32)cc1 ZINC000661509442 1120771745 /nfs/dbraw/zinc/77/17/45/1120771745.db2.gz QQHQVYURDSBYFT-KRWDZBQOSA-N 0 1 296.345 3.956 20 0 CHADMN CC(C)O[C@H]1CCCN(Cc2cnc(C3CCC3)s2)C1 ZINC000651897584 1120771875 /nfs/dbraw/zinc/77/18/75/1120771875.db2.gz FCGBDZOPOVAOEM-AWEZNQCLSA-N 0 1 294.464 3.800 20 0 CHADMN CCc1cccc(CN[C@@H](c2ccccc2F)[C@H](C)O)c1 ZINC000651891690 1120771884 /nfs/dbraw/zinc/77/18/84/1120771884.db2.gz ILIZLISGTZVZSR-SCLBCKFNSA-N 0 1 287.378 3.600 20 0 CHADMN CSc1ccc(CN2CCC[C@@H](OC(C)C)C2)s1 ZINC000651898019 1120772015 /nfs/dbraw/zinc/77/20/15/1120772015.db2.gz RAGXGKZVYHLEGG-GFCCVEGCSA-N 0 1 285.478 3.859 20 0 CHADMN CN(Cc1cnns1)C1CC(C)(C)CC(C)(C)C1 ZINC000661533224 1120775196 /nfs/dbraw/zinc/77/51/96/1120775196.db2.gz IFWSUYHLLZSJNO-UHFFFAOYSA-N 0 1 267.442 3.575 20 0 CHADMN Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](C3CCCCC3)C2)s1 ZINC000661577932 1120781489 /nfs/dbraw/zinc/78/14/89/1120781489.db2.gz GYRGZDGBHFXOEE-BXUZGUMPSA-N 0 1 279.453 3.810 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@@H](C3CCCCC3)C2)s1 ZINC000661577932 1120781491 /nfs/dbraw/zinc/78/14/91/1120781491.db2.gz GYRGZDGBHFXOEE-BXUZGUMPSA-N 0 1 279.453 3.810 20 0 CHADMN CCc1nnc([C@@H](C)N2CC[C@@H](C3CCCCC3)C2)o1 ZINC000661585938 1120781602 /nfs/dbraw/zinc/78/16/02/1120781602.db2.gz MUBRZCROTZFUGT-TZMCWYRMSA-N 0 1 277.412 3.595 20 0 CHADMN CC[C@H](NCc1ccc2c(c1)ncn2C)c1ccccc1F ZINC000651932964 1120785304 /nfs/dbraw/zinc/78/53/04/1120785304.db2.gz IRTIRPHENXUXGU-INIZCTEOSA-N 0 1 297.377 3.953 20 0 CHADMN CCN(Cc1nc(-c2cccc(C)c2)no1)CC(C)C ZINC000046064174 1120785738 /nfs/dbraw/zinc/78/57/38/1120785738.db2.gz NMJASUGRAFHAFX-UHFFFAOYSA-N 0 1 273.380 3.523 20 0 CHADMN CC1(C)CCN(Cc2nnc(C3CC3)o2)CC(C)(C)C1 ZINC000661629588 1120786746 /nfs/dbraw/zinc/78/67/46/1120786746.db2.gz ZRCKWQWFSGLIGW-UHFFFAOYSA-N 0 1 277.412 3.595 20 0 CHADMN FCC[C@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000661692982 1120790474 /nfs/dbraw/zinc/79/04/74/1120790474.db2.gz JQJUOKPXOORNGQ-LLVKDONJSA-N 0 1 257.299 3.536 20 0 CHADMN CCC(=O)CCCN1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000661658953 1120790959 /nfs/dbraw/zinc/79/09/59/1120790959.db2.gz HNXUPMNXEYTXCX-INIZCTEOSA-N 0 1 293.382 3.731 20 0 CHADMN CCC(CC)n1ccc(CN2CCC[C@H](CCF)C2)n1 ZINC000661691099 1120796420 /nfs/dbraw/zinc/79/64/20/1120796420.db2.gz SMUGHEWMWXMPJC-CQSZACIVSA-N 0 1 281.419 3.816 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1C[C@H]2COC[C@]2(C)C1 ZINC000661703815 1120797286 /nfs/dbraw/zinc/79/72/86/1120797286.db2.gz MITOGQZRZMUZPL-ZETOZRRWSA-N 0 1 283.774 3.508 20 0 CHADMN Cc1ccc([C@H](C)N(C)CC(=O)N(C)c2ccccc2)cc1 ZINC000047964560 1120799145 /nfs/dbraw/zinc/79/91/45/1120799145.db2.gz AKGVUMZKVIPHRX-INIZCTEOSA-N 0 1 296.414 3.651 20 0 CHADMN C[C@@H]1C[C@H](NCc2cccc3ccsc32)c2nccn21 ZINC000652219551 1120800217 /nfs/dbraw/zinc/80/02/17/1120800217.db2.gz DDZRGOCPWTZXPG-RISCZKNCSA-N 0 1 283.400 3.893 20 0 CHADMN CS[C@@H](CNCc1nnc(C(C)C)s1)C(C)(C)C ZINC000893519936 1120819049 /nfs/dbraw/zinc/81/90/49/1120819049.db2.gz PDPRUAYXMXLFKS-JTQLQIEISA-N 0 1 287.498 3.529 20 0 CHADMN Cc1ccc2nc(-c3cc(F)c(F)c(F)c3)[nH]c2c1 ZINC000063008135 1120820676 /nfs/dbraw/zinc/82/06/76/1120820676.db2.gz DJWSNBDSHNUTOE-UHFFFAOYSA-N 0 1 262.234 3.956 20 0 CHADMN Cc1ccc(OC(F)F)c(CN2CC[C@@H](C)O[C@@H](C)C2)c1 ZINC000661853231 1120825165 /nfs/dbraw/zinc/82/51/65/1120825165.db2.gz PLRCFARYLKWNRD-OLZOCXBDSA-N 0 1 299.361 3.596 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c(F)c1 ZINC000661878752 1120831603 /nfs/dbraw/zinc/83/16/03/1120831603.db2.gz QZPNKKUXKRRXMT-RHSMWYFYSA-N 0 1 295.373 3.746 20 0 CHADMN CCOC(=O)[C@H](c1ccccc1)N1CCC2(CCCC2)C1 ZINC000313969656 1120833575 /nfs/dbraw/zinc/83/35/75/1120833575.db2.gz NPVACENATVZJGJ-INIZCTEOSA-N 0 1 287.403 3.557 20 0 CHADMN Cc1cccc(Cl)c1CN1CCC2(CCCC2=O)CC1 ZINC000661961839 1120847950 /nfs/dbraw/zinc/84/79/50/1120847950.db2.gz QOWAEBHCIUCUKQ-UHFFFAOYSA-N 0 1 291.822 3.984 20 0 CHADMN C[C@H](C(=O)Nc1cccc2ccccc21)N1CC[C@H]2C[C@H]2C1 ZINC000661968764 1120848099 /nfs/dbraw/zinc/84/80/99/1120848099.db2.gz ATDOHFGCLGLWIP-KBMXLJTQSA-N 0 1 294.398 3.509 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCC[C@@H]2c2cccs2)cs1 ZINC000652377093 1120848128 /nfs/dbraw/zinc/84/81/28/1120848128.db2.gz WZZJPSJKFWKFKG-LLVKDONJSA-N 0 1 293.413 3.845 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000661970660 1120849403 /nfs/dbraw/zinc/84/94/03/1120849403.db2.gz GIWXBVSPYARIGZ-DGCLKSJQSA-N 0 1 274.389 3.553 20 0 CHADMN CCCCCN(C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21)C(C)C ZINC000630026835 1128944512 /nfs/dbraw/zinc/94/45/12/1128944512.db2.gz JSHNAJLJICHSFP-ZFWWWQNUSA-N 0 1 291.439 3.503 20 0 CHADMN CCOC(=O)CCCCN[C@H](C(F)F)C1CCCCC1 ZINC000598649250 1120860535 /nfs/dbraw/zinc/86/05/35/1120860535.db2.gz LALYDMATHPEVNK-AWEZNQCLSA-N 0 1 291.382 3.523 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CCC[C@H](C2CCC2)C1 ZINC000662042079 1120862873 /nfs/dbraw/zinc/86/28/73/1120862873.db2.gz AXRNTTFGJSVBFW-RISCZKNCSA-N 0 1 275.396 3.520 20 0 CHADMN Cc1cc(C)cc([C@@H]2CC[N@H+]([C@@H](CC(C)C)C(=O)[O-])C2)c1 ZINC000652443671 1120864825 /nfs/dbraw/zinc/86/48/25/1120864825.db2.gz QGOCQXWQXUNNOW-WBVHZDCISA-N 0 1 289.419 3.592 20 0 CHADMN O=C([O-])[C@H](CC[N@H+]1CC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000652450066 1120865940 /nfs/dbraw/zinc/86/59/40/1120865940.db2.gz ZSRKOHQQXYRNHH-BBWFWOEESA-N 0 1 287.403 3.509 20 0 CHADMN Cc1ccc(-c2nnc(CNC3(CC(C)C)CC3)o2)cc1 ZINC000662071983 1120869114 /nfs/dbraw/zinc/86/91/14/1120869114.db2.gz YOFNQIZIQYBAKC-UHFFFAOYSA-N 0 1 285.391 3.713 20 0 CHADMN CC(C)CC1(NCc2cc(-c3ccco3)on2)CC1 ZINC000662071381 1120869580 /nfs/dbraw/zinc/86/95/80/1120869580.db2.gz YOUSBDKRHXCDLZ-UHFFFAOYSA-N 0 1 260.337 3.603 20 0 CHADMN CC(C)CC1(N[C@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000662068093 1120869655 /nfs/dbraw/zinc/86/96/55/1120869655.db2.gz BFNJYJIIUBAIPC-CYBMUJFWSA-N 0 1 285.391 3.966 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000652485221 1120872496 /nfs/dbraw/zinc/87/24/96/1120872496.db2.gz HWQPTOZIBBZCBB-MRXNPFEDSA-N 0 1 277.408 3.741 20 0 CHADMN CC(C)c1noc([C@H](C)N2[C@@H]3CC[C@H]2CC(C)C3)n1 ZINC000662134106 1120882648 /nfs/dbraw/zinc/88/26/48/1120882648.db2.gz UDVLDHHVKJPJFF-FOIKRFTLSA-N 0 1 263.385 3.517 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000618852713 1128946624 /nfs/dbraw/zinc/94/66/24/1128946624.db2.gz VOCYEOVSUHIIQN-UHFFFAOYSA-N 0 1 281.359 3.574 20 0 CHADMN Fc1ccc(F)c(CNCc2cc3ccccc3[nH]2)c1 ZINC000058473656 1120883257 /nfs/dbraw/zinc/88/32/57/1120883257.db2.gz GWBJLGCYEBJALG-UHFFFAOYSA-N 0 1 272.298 3.736 20 0 CHADMN Cc1ccc(CNc2ccc(F)c(-c3nc[nH]n3)c2)cc1 ZINC000630059265 1128947059 /nfs/dbraw/zinc/94/70/59/1128947059.db2.gz HJAKRPAOIITGFZ-UHFFFAOYSA-N 0 1 282.322 3.531 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1ccc(F)cc1F)c1ccccc1 ZINC000662163602 1120889476 /nfs/dbraw/zinc/88/94/76/1120889476.db2.gz XPYJHCNZHBZWJU-SJORKVTESA-N 0 1 291.341 3.739 20 0 CHADMN CC(C)=CCNCc1c(Cl)n(C)nc1-c1ccccc1 ZINC000191626801 1128947153 /nfs/dbraw/zinc/94/71/53/1128947153.db2.gz NWXSEKGZAQDMPH-UHFFFAOYSA-N 0 1 289.810 3.796 20 0 CHADMN CCCCc1noc([C@@H](C)N(CCC2CC2)CC2CC2)n1 ZINC000662179768 1120892012 /nfs/dbraw/zinc/89/20/12/1120892012.db2.gz VGQDJTPKWPLSAJ-CYBMUJFWSA-N 0 1 291.439 3.985 20 0 CHADMN Cc1nnc([C@@H](C)N(C)C[C@H]2CCc3ccccc32)s1 ZINC000662198903 1120896664 /nfs/dbraw/zinc/89/66/64/1120896664.db2.gz XISUVSACTXAGFX-BXUZGUMPSA-N 0 1 287.432 3.569 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N(C)C[C@H]1CCc2ccccc21 ZINC000662199740 1120896757 /nfs/dbraw/zinc/89/67/57/1120896757.db2.gz SXCSITUYMOFFEZ-IUODEOHRSA-N 0 1 297.402 3.670 20 0 CHADMN Fc1ccc(CNc2ccc3c[nH]nc3c2)c2ncccc12 ZINC000630067165 1128947593 /nfs/dbraw/zinc/94/75/93/1128947593.db2.gz XJKVJQQUJIQMDA-UHFFFAOYSA-N 0 1 292.317 3.862 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CC3CC2(c2ccccc2)C3)c1 ZINC000662230844 1120906817 /nfs/dbraw/zinc/90/68/17/1120906817.db2.gz HZLACZGISFASDU-UHFFFAOYSA-N 0 1 293.366 3.506 20 0 CHADMN FCCC1CCN(Cc2ccc(C(F)F)nc2)CC1 ZINC000630073506 1128948477 /nfs/dbraw/zinc/94/84/77/1128948477.db2.gz VBMAWVZUPWSFNK-UHFFFAOYSA-N 0 1 272.314 3.591 20 0 CHADMN Cc1cc(C)c(NC(=O)CN(C)C[C@@H]2CC2(C)C)c(C)c1 ZINC000662345615 1120929189 /nfs/dbraw/zinc/92/91/89/1120929189.db2.gz KEQXCRWVKRGGDA-HNNXBMFYSA-N 0 1 288.435 3.528 20 0 CHADMN CCc1noc(C)c1CN[C@]1(c2ccccc2)CC1(C)C ZINC000662345310 1120929344 /nfs/dbraw/zinc/92/93/44/1120929344.db2.gz YESOYQCFRMYOLQ-SFHVURJKSA-N 0 1 284.403 3.960 20 0 CHADMN CN(Cc1csc(-c2ccccn2)n1)C[C@H]1CC1(C)C ZINC000662347540 1120929417 /nfs/dbraw/zinc/92/94/17/1120929417.db2.gz LVQDOZKZLGTQBJ-GFCCVEGCSA-N 0 1 287.432 3.683 20 0 CHADMN Cc1ccc(-c2nnc(CN(C)C[C@@H]3CC3(C)C)o2)cc1 ZINC000662346642 1120929872 /nfs/dbraw/zinc/92/98/72/1120929872.db2.gz CQTKYMYTMIPUTP-AWEZNQCLSA-N 0 1 285.391 3.523 20 0 CHADMN Cc1cc(CNCc2cnc(F)cc2C)ccc1Cl ZINC000893569064 1120930941 /nfs/dbraw/zinc/93/09/41/1120930941.db2.gz MIOUVYGSXVKHOX-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN Cc1cc(F)ncc1CN1C[C@H](C)C[C@H]1c1cccnc1 ZINC000893570440 1120934800 /nfs/dbraw/zinc/93/48/00/1120934800.db2.gz DWAHFNRYPQJDSA-WBMJQRKESA-N 0 1 285.366 3.507 20 0 CHADMN Cc1cc(F)ncc1CN1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000893570437 1120934911 /nfs/dbraw/zinc/93/49/11/1120934911.db2.gz DWAHFNRYPQJDSA-LRDDRELGSA-N 0 1 285.366 3.507 20 0 CHADMN CC1CCC(N(C)Cc2nc(-c3cccs3)no2)CC1 ZINC000061799195 1120937839 /nfs/dbraw/zinc/93/78/39/1120937839.db2.gz HSWNHKNVNYSGPZ-UHFFFAOYSA-N 0 1 291.420 3.809 20 0 CHADMN C[C@@H](N(C)Cc1csc(C2CC2)n1)C1(C)CC1 ZINC000162227353 1120938106 /nfs/dbraw/zinc/93/81/06/1120938106.db2.gz CBZRQYUVDURNCA-SNVBAGLBSA-N 0 1 250.411 3.641 20 0 CHADMN Cc1ncc(CNCc2c(C)oc3ccccc32)s1 ZINC000121276249 1120945466 /nfs/dbraw/zinc/94/54/66/1120945466.db2.gz BGNZHYJLRXWJJP-UHFFFAOYSA-N 0 1 272.373 3.796 20 0 CHADMN Cc1ccnc(NC[C@@H](c2ccccc2)C2CC2)c1 ZINC000630343509 1128953600 /nfs/dbraw/zinc/95/36/00/1128953600.db2.gz PZXLHBMJPMNBSF-INIZCTEOSA-N 0 1 252.361 3.996 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000093419059 1128954104 /nfs/dbraw/zinc/95/41/04/1128954104.db2.gz GIAAHXCOWBVYEY-CYBMUJFWSA-N 0 1 285.790 3.728 20 0 CHADMN Cc1ncc(CN[C@@H](c2ccccc2C)C2CC2)o1 ZINC000666167146 1120979335 /nfs/dbraw/zinc/97/93/35/1120979335.db2.gz PXPIGHOMKCGRSJ-MRXNPFEDSA-N 0 1 256.349 3.532 20 0 CHADMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000343938658 1120980349 /nfs/dbraw/zinc/98/03/49/1120980349.db2.gz GIHNMZSGASSFRY-TXEJJXNPSA-N 0 1 290.382 3.514 20 0 CHADMN Cc1cncc([C@H](C)NCc2cnccc2C(F)(F)F)c1 ZINC000663470095 1120984498 /nfs/dbraw/zinc/98/44/98/1120984498.db2.gz IPTAWTKQCINCPW-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN CCn1nccc1CN[C@H](c1cc(F)ccc1F)C(C)C ZINC000663472121 1120986132 /nfs/dbraw/zinc/98/61/32/1120986132.db2.gz XLVJSHQJNWKJDD-INIZCTEOSA-N 0 1 293.361 3.668 20 0 CHADMN C[C@@H](N[C@H]1CO[C@H](C)C1)c1cc(Cl)sc1Cl ZINC000402289434 1120993694 /nfs/dbraw/zinc/99/36/94/1120993694.db2.gz MUTJBJLJWBERAJ-BWZBUEFSSA-N 0 1 280.220 3.883 20 0 CHADMN Cc1cc([C@H](C)N[C@H](c2ccccc2)[C@@H](C)O)oc1C ZINC000658359013 1120994122 /nfs/dbraw/zinc/99/41/22/1120994122.db2.gz CVKDWUVFLSHGOL-AHIWAGSCSA-N 0 1 273.376 3.669 20 0 CHADMN CCc1nocc1CN1CCCCC[C@@H]1c1ccncc1 ZINC000350142253 1120994938 /nfs/dbraw/zinc/99/49/38/1120994938.db2.gz HPQKCQHGWQOFJE-QGZVFWFLSA-N 0 1 285.391 3.749 20 0 CHADMN COCC[C@H](C)N(C)Cc1cccc(Cl)c1Cl ZINC000431165025 1120995627 /nfs/dbraw/zinc/99/56/27/1120995627.db2.gz BCDQVHRNAHONQE-JTQLQIEISA-N 0 1 276.207 3.850 20 0 CHADMN C[C@@H](C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C1CC1)C(=O)[O-] ZINC000071736876 1120996823 /nfs/dbraw/zinc/99/68/23/1120996823.db2.gz OIQCSXKCJJPSIK-ZDUSSCGKSA-N 0 1 289.419 3.669 20 0 CHADMN CC(C)[C@@H](NCc1ncc(Cl)n1C)c1ccccc1 ZINC000057627567 1120997942 /nfs/dbraw/zinc/99/79/42/1120997942.db2.gz BAUIJLJQXAZJHP-OAHLLOKOSA-N 0 1 277.799 3.560 20 0 CHADMN CCN(Cc1cccc(Cl)c1)Cc1cncc(OC)c1 ZINC000343977622 1121018301 /nfs/dbraw/zinc/01/83/01/1121018301.db2.gz KCYGPZWXQPARBA-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H]1CCCc2nc(C)ncc21 ZINC000766045663 1121019427 /nfs/dbraw/zinc/01/94/27/1121019427.db2.gz UKSDOXPQSQMHNM-BLLLJJGKSA-N 0 1 297.402 3.522 20 0 CHADMN C[N@@H+](Cc1cccc(Cl)c1Cl)[C@H]1CCCC[C@H]1O ZINC000300402640 1121019634 /nfs/dbraw/zinc/01/96/34/1121019634.db2.gz YYLLBAOUWJQYQF-QWHCGFSZSA-N 0 1 288.218 3.729 20 0 CHADMN Cc1cccc(NC(=O)CN(C)[C@H](C)c2ccccc2)c1C ZINC000007018246 1121023553 /nfs/dbraw/zinc/02/35/53/1121023553.db2.gz XQQGLCUGXJZAQZ-MRXNPFEDSA-N 0 1 296.414 3.935 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(F)c(F)c2)cc1 ZINC000231244136 1121024956 /nfs/dbraw/zinc/02/49/56/1121024956.db2.gz RWOOREQBKGLZNS-UHFFFAOYSA-N 0 1 261.315 3.905 20 0 CHADMN CC[C@@H](NCc1ccc(Cl)nc1)c1c(C)noc1C ZINC000121320920 1121025165 /nfs/dbraw/zinc/02/51/65/1121025165.db2.gz VGDMTASOGZPKDG-GFCCVEGCSA-N 0 1 279.771 3.581 20 0 CHADMN CC=Nc1cc(-c2cccc(Br)c2)no1 ZINC001174779411 1121029380 /nfs/dbraw/zinc/02/93/80/1121029380.db2.gz BAMYLKYBXDGQEC-UHFFFAOYSA-N 0 1 265.110 3.660 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)c1cn[nH]c1C(C)C ZINC000630435796 1128957555 /nfs/dbraw/zinc/95/75/55/1128957555.db2.gz NMOXXGPYQCPLLX-UHFFFAOYSA-N 0 1 277.755 3.747 20 0 CHADMN CC(C)c1cccc(CN[C@](C)(CO)c2cccc(O)c2)c1 ZINC000660561279 1121046619 /nfs/dbraw/zinc/04/66/19/1121046619.db2.gz RBOPBSOWHQTGLY-LJQANCHMSA-N 0 1 299.414 3.513 20 0 CHADMN COc1ccc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1F ZINC000625651066 1121047343 /nfs/dbraw/zinc/04/73/43/1121047343.db2.gz YXJNQSMESKZIKT-PHIMTYICSA-N 0 1 287.325 3.557 20 0 CHADMN CCS[C@@H](C)c1noc(CN(CC)C(CC)CC)n1 ZINC000344008267 1121051385 /nfs/dbraw/zinc/05/13/85/1121051385.db2.gz ALWAAALGHFFOPK-NSHDSACASA-N 0 1 285.457 3.894 20 0 CHADMN C[C@@H]1CN(Cc2nnc(-c3ccccc3)o2)CC(C)(C)C1 ZINC000344030589 1121058548 /nfs/dbraw/zinc/05/85/48/1121058548.db2.gz DAAFPVZSKNXJRR-ZDUSSCGKSA-N 0 1 285.391 3.605 20 0 CHADMN CC(C)c1noc([C@@H](C)N(C)C[C@@H]2CC=CCC2)n1 ZINC000344045580 1121065192 /nfs/dbraw/zinc/06/51/92/1121065192.db2.gz JWGIMJHZLHFIKO-CHWSQXEVSA-N 0 1 263.385 3.542 20 0 CHADMN CCc1nc([C@H](C)N[C@@H]2C[C@H](OC)C2(CC)CC)cs1 ZINC000344073673 1121073478 /nfs/dbraw/zinc/07/34/78/1121073478.db2.gz MFGHDOCCOBZMMZ-YUTCNCBUSA-N 0 1 296.480 3.950 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2sccc21)c1ccn(C)n1 ZINC000344097622 1121080106 /nfs/dbraw/zinc/08/01/06/1121080106.db2.gz CFJHZEQOOUSKFZ-QWHCGFSZSA-N 0 1 275.421 3.600 20 0 CHADMN C[C@@H](c1ccccn1)N1Cc2ccccc2OC(C)(C)C1 ZINC000344104509 1121086592 /nfs/dbraw/zinc/08/65/92/1121086592.db2.gz FZNCPYDLGQENFX-AWEZNQCLSA-N 0 1 282.387 3.816 20 0 CHADMN Cc1ccncc1CN1Cc2ccccc2OC(C)(C)C1 ZINC000344116738 1121090136 /nfs/dbraw/zinc/09/01/36/1121090136.db2.gz PBMQMUULCUBTDM-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN C[C@H](NCc1cccnc1)c1ccc(Br)s1 ZINC000038002004 1121091751 /nfs/dbraw/zinc/09/17/51/1121091751.db2.gz SRWHIJZLHAQFNQ-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN Cc1ccc(CNCc2ccc(Br)s2)o1 ZINC000037985178 1121091828 /nfs/dbraw/zinc/09/18/28/1121091828.db2.gz NYVKDUXDLHUEIF-UHFFFAOYSA-N 0 1 286.194 3.702 20 0 CHADMN C[C@@H](NCc1ccncc1)c1ccc(Br)s1 ZINC000038002003 1121092317 /nfs/dbraw/zinc/09/23/17/1121092317.db2.gz NFRSIIRKGKTTJK-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc3ncccc3c2)o1 ZINC000037976786 1121094727 /nfs/dbraw/zinc/09/47/27/1121094727.db2.gz JNJVPMZNDBTHSQ-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN c1cn(C2CCCC2)nc1CN1CCC[C@@H](C2CC2)C1 ZINC000344130725 1121098255 /nfs/dbraw/zinc/09/82/55/1121098255.db2.gz YHFIFDKPGPHDBR-OAHLLOKOSA-N 0 1 273.424 3.620 20 0 CHADMN CCCCCC[C@H](C)C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001127684944 1128962713 /nfs/dbraw/zinc/96/27/13/1128962713.db2.gz YTPHRWXNRBAWSK-XHSDSOJGSA-N 0 1 282.472 3.534 20 0 CHADMN CCCCCC[C@H](C)C(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001127684944 1128962717 /nfs/dbraw/zinc/96/27/17/1128962717.db2.gz YTPHRWXNRBAWSK-XHSDSOJGSA-N 0 1 282.472 3.534 20 0 CHADMN Fc1ccccc1-c1n[nH]c(S[C@@H]2C=CCCC2)n1 ZINC000171269331 1121107058 /nfs/dbraw/zinc/10/70/58/1121107058.db2.gz IKYDSXFHTUMTCQ-SNVBAGLBSA-N 0 1 275.352 3.812 20 0 CHADMN CC[C@H]1CN(Cc2ccc3cnccc3c2)C[C@H](CC)O1 ZINC000643294931 1121107433 /nfs/dbraw/zinc/10/74/33/1121107433.db2.gz SVEAFRXGMZWRTN-ROUUACIJSA-N 0 1 284.403 3.624 20 0 CHADMN Cc1[nH]ncc1CNC(=O)C/C=C\c1ccc(C(C)C)cc1 ZINC000344194163 1121117902 /nfs/dbraw/zinc/11/79/02/1121117902.db2.gz JSARFASNUDIVHT-PLNGDYQASA-N 0 1 297.402 3.561 20 0 CHADMN COc1cccnc1CN[C@H](C)c1cc2ccncc2s1 ZINC000658031487 1121121395 /nfs/dbraw/zinc/12/13/95/1121121395.db2.gz GUCKCKNTCQTYBT-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CC[C@](C)(CC)C1 ZINC000344214954 1121122296 /nfs/dbraw/zinc/12/22/96/1121122296.db2.gz HJAZYQJKQSRTAA-SFHVURJKSA-N 0 1 288.435 3.618 20 0 CHADMN COc1c(C)cc(Nc2ccc3nccn3c2)cc1C ZINC001174997121 1121124466 /nfs/dbraw/zinc/12/44/66/1121124466.db2.gz CUIKXMGGHJJIOS-UHFFFAOYSA-N 0 1 267.332 3.703 20 0 CHADMN C[C@H]1C[C@@H](NCc2cn3ccccc3n2)c2ccccc21 ZINC000344224642 1121124855 /nfs/dbraw/zinc/12/48/55/1121124855.db2.gz QVJWVRDCIDXIKM-SUMWQHHRSA-N 0 1 277.371 3.672 20 0 CHADMN Fc1cccc(C2(N[C@@H]3CCCn4nccc43)CCC2)c1 ZINC000658042041 1121127743 /nfs/dbraw/zinc/12/77/43/1121127743.db2.gz OUFWMYIGOUUCGP-OAHLLOKOSA-N 0 1 285.366 3.526 20 0 CHADMN Clc1ccc2nc(-c3ccc(-c4cc[nH]n4)o3)[nH]c2c1 ZINC000432499898 1121132172 /nfs/dbraw/zinc/13/21/72/1121132172.db2.gz JPXCOIAUCOFBRO-UHFFFAOYSA-N 0 1 284.706 3.866 20 0 CHADMN CC[C@@H](C)CN(C)Cc1ncc(-c2cccs2)o1 ZINC000171947584 1121135213 /nfs/dbraw/zinc/13/52/13/1121135213.db2.gz FENQJCCRQMJEMB-LLVKDONJSA-N 0 1 264.394 3.881 20 0 CHADMN CC[C@H](C)CN(C)Cc1csc(-c2ccoc2)n1 ZINC000171950078 1121135311 /nfs/dbraw/zinc/13/53/11/1121135311.db2.gz VGBBEGQNSDPUHR-NSHDSACASA-N 0 1 264.394 3.881 20 0 CHADMN Cc1cccc(C(NCc2cn[nH]c2)c2cccc(C)c2)c1 ZINC000674491130 1121136602 /nfs/dbraw/zinc/13/66/02/1121136602.db2.gz XAAIIHIWJCTESE-UHFFFAOYSA-N 0 1 291.398 3.906 20 0 CHADMN Cc1nc([C@@H](C)NCCCOc2ccccc2)c(C)s1 ZINC000052092029 1121136887 /nfs/dbraw/zinc/13/68/87/1121136887.db2.gz LDYHUCSFQHZHEH-GFCCVEGCSA-N 0 1 290.432 3.880 20 0 CHADMN Oc1ccc2c(c1)C[N@@H+]([C@H]1CCCc3ccc(F)cc31)C2 ZINC000625728016 1121148306 /nfs/dbraw/zinc/14/83/06/1121148306.db2.gz SKYNXFHJHWNXBR-SFHVURJKSA-N 0 1 283.346 3.925 20 0 CHADMN Oc1ccc2c(c1)CN([C@H]1CCCc3ccc(F)cc31)C2 ZINC000625728016 1121148310 /nfs/dbraw/zinc/14/83/10/1121148310.db2.gz SKYNXFHJHWNXBR-SFHVURJKSA-N 0 1 283.346 3.925 20 0 CHADMN CC(C)(C)C(=O)CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000753705525 1121151093 /nfs/dbraw/zinc/15/10/93/1121151093.db2.gz SQDACPRYNOLKOZ-CQSZACIVSA-N 0 1 277.383 3.620 20 0 CHADMN CC(C)C[C@@H]1CCCCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000172624199 1121157346 /nfs/dbraw/zinc/15/73/46/1121157346.db2.gz JGRIPPNNHSXXPJ-AWEZNQCLSA-N 0 1 289.423 3.718 20 0 CHADMN CC[C@@H](NCC(=O)Nc1ccccc1)c1ccc(F)cc1 ZINC000172619685 1121157723 /nfs/dbraw/zinc/15/77/23/1121157723.db2.gz KQNMQDFXPCIVIP-MRXNPFEDSA-N 0 1 286.350 3.505 20 0 CHADMN O=C([O-])[C@@]12CCC[C@@H]1C[N@@H+](CCCC1CCCCC1)C2 ZINC000701568163 1121158717 /nfs/dbraw/zinc/15/87/17/1121158717.db2.gz SFIOTEXIGYTNMD-NVXWUHKLSA-N 0 1 279.424 3.534 20 0 CHADMN COC1CCC(C[N@H+]2CCC[C@@H]2c2csc(C)n2)CC1 ZINC000893677619 1121161261 /nfs/dbraw/zinc/16/12/61/1121161261.db2.gz CRSJSMHCJVMIHA-ZBCRRDGASA-N 0 1 294.464 3.794 20 0 CHADMN CC(C)C1(CN[C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000674650407 1121161867 /nfs/dbraw/zinc/16/18/67/1121161867.db2.gz WUGHSQBZUZWDJW-CQSZACIVSA-N 0 1 299.418 3.747 20 0 CHADMN CC(C)Cn1ccnc1NCc1csc(C(C)(C)C)n1 ZINC000351570098 1121164917 /nfs/dbraw/zinc/16/49/17/1121164917.db2.gz YCDIULJVBLKHFB-UHFFFAOYSA-N 0 1 292.452 3.905 20 0 CHADMN c1cc2cc(CN[C@H]3CCCc4cccnc43)ccc2o1 ZINC000658117247 1121167991 /nfs/dbraw/zinc/16/79/91/1121167991.db2.gz RPZIATKKPDPGEK-INIZCTEOSA-N 0 1 278.355 3.995 20 0 CHADMN CC[C@@H](C)CCN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000658123361 1121168051 /nfs/dbraw/zinc/16/80/51/1121168051.db2.gz ZLIGSWKEBVBGFX-IUODEOHRSA-N 0 1 275.371 3.664 20 0 CHADMN CC(C)CCNC(C)(C)c1cc(C(F)(F)F)on1 ZINC000429237712 1121168797 /nfs/dbraw/zinc/16/87/97/1121168797.db2.gz PRPGPKSSRYOEGL-UHFFFAOYSA-N 0 1 264.291 3.564 20 0 CHADMN Cc1ccc(C[N@H+](C)C2CCC(C)CC2)cc1C(=O)[O-] ZINC000701832607 1121169837 /nfs/dbraw/zinc/16/98/37/1121169837.db2.gz VSLWZGCJTVYBAZ-UHFFFAOYSA-N 0 1 275.392 3.704 20 0 CHADMN C[C@H]1CCCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000674700195 1121170613 /nfs/dbraw/zinc/17/06/13/1121170613.db2.gz JZLMFWKSYWSBAI-ZDUSSCGKSA-N 0 1 256.349 3.574 20 0 CHADMN Cc1cccc(CCNCc2occc2Br)c1 ZINC000227369439 1121170749 /nfs/dbraw/zinc/17/07/49/1121170749.db2.gz GZPWRPLOGRRJAM-UHFFFAOYSA-N 0 1 294.192 3.683 20 0 CHADMN Cc1sc(CNCc2cccnc2)cc1Br ZINC000227775590 1121176468 /nfs/dbraw/zinc/17/64/68/1121176468.db2.gz QPJBXSJSBUEWJT-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN C[C@@H]1CCCCN1Cc1cc(-c2ccccc2)on1 ZINC000674766955 1121179382 /nfs/dbraw/zinc/17/93/82/1121179382.db2.gz WWQNIDZXQSGZSS-CYBMUJFWSA-N 0 1 256.349 3.716 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1cccc2nsnc21 ZINC000766073687 1121182913 /nfs/dbraw/zinc/18/29/13/1121182913.db2.gz CUTWXDBSLLWTEJ-GFCCVEGCSA-N 0 1 295.411 3.638 20 0 CHADMN CCc1noc([C@@H](C)N2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000245406211 1121183000 /nfs/dbraw/zinc/18/30/00/1121183000.db2.gz WKDYAPYYQJZLIG-GDBMZVCRSA-N 0 1 299.418 3.963 20 0 CHADMN CC[C@H](NCc1ccc(C)nc1)c1ccccc1OC ZINC000062051276 1121187547 /nfs/dbraw/zinc/18/75/47/1121187547.db2.gz DBYCZKWLTOCJFE-INIZCTEOSA-N 0 1 270.376 3.640 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2F)C2CCCC2)[nH]n1 ZINC000674883111 1121191808 /nfs/dbraw/zinc/19/18/08/1121191808.db2.gz SLHZHIMPCSPGCR-KRWDZBQOSA-N 0 1 287.382 3.878 20 0 CHADMN CCOc1ccc(C)cc1-n1c(N)nc2c1cccc2C ZINC001175123360 1121193273 /nfs/dbraw/zinc/19/32/73/1121193273.db2.gz RZYJDFCNEVSADL-UHFFFAOYSA-N 0 1 281.359 3.623 20 0 CHADMN COC[C@H](N[C@H]1CCc2ccccc21)c1cccc(OC)c1 ZINC000658162082 1121194639 /nfs/dbraw/zinc/19/46/39/1121194639.db2.gz BMRJDONJNYLQPT-OALUTQOASA-N 0 1 297.398 3.660 20 0 CHADMN Cc1oncc1CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000337392677 1121206456 /nfs/dbraw/zinc/20/64/56/1121206456.db2.gz HZKMISZWQMWFBA-OAHLLOKOSA-N 0 1 262.328 3.609 20 0 CHADMN CC(C)C1CCC(N(C)C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000432564489 1121212610 /nfs/dbraw/zinc/21/26/10/1121212610.db2.gz BKGZTSXKBXEYNV-UHFFFAOYSA-N 0 1 289.423 3.574 20 0 CHADMN CCOc1ccc(Nc2ccnn2-c2ccncc2)cc1C ZINC001175167030 1121213024 /nfs/dbraw/zinc/21/30/24/1121213024.db2.gz PTALATALIPCEQC-UHFFFAOYSA-N 0 1 294.358 3.718 20 0 CHADMN CC(=O)c1ccccc1Nc1cc(O)c(F)c(F)c1 ZINC001175181813 1121220354 /nfs/dbraw/zinc/22/03/54/1121220354.db2.gz XWZFBLUFANKRCP-UHFFFAOYSA-N 0 1 263.243 3.617 20 0 CHADMN Fc1cc(Nc2nnco2)ccc1-c1ccccc1 ZINC001175207833 1121222823 /nfs/dbraw/zinc/22/28/23/1121222823.db2.gz MHCANMRVDGVTEF-UHFFFAOYSA-N 0 1 255.252 3.619 20 0 CHADMN Cc1ncn(-c2ccc(-c3ccccc3)c(F)c2)c1N ZINC001175207330 1121223107 /nfs/dbraw/zinc/22/31/07/1121223107.db2.gz IURAIHDRRXFRIR-UHFFFAOYSA-N 0 1 267.307 3.569 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2c(O)cccc2F)C1 ZINC000436704428 1121239401 /nfs/dbraw/zinc/23/94/01/1121239401.db2.gz LYVZZPFPPRHMDA-SWLSCSKDSA-N 0 1 299.345 3.755 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)[C@H]3CC34CCC4)cc2[nH]1 ZINC000675287602 1121244102 /nfs/dbraw/zinc/24/41/02/1121244102.db2.gz HCPFAWZEORSVOB-GFCCVEGCSA-N 0 1 297.402 3.989 20 0 CHADMN CCOc1ccc(Nc2nnc(-c3ccco3)o2)c(F)c1 ZINC001175246673 1121244935 /nfs/dbraw/zinc/24/49/35/1121244935.db2.gz AASZCDQTALRKMF-UHFFFAOYSA-N 0 1 289.266 3.611 20 0 CHADMN C[C@@H](Cc1ccco1)NCc1nc(C(C)(C)C)cs1 ZINC000094965558 1121247571 /nfs/dbraw/zinc/24/75/71/1121247571.db2.gz HQMGFJIWCCYVKV-NSHDSACASA-N 0 1 278.421 3.754 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1ccc(C)c(F)c1 ZINC000094952839 1121247629 /nfs/dbraw/zinc/24/76/29/1121247629.db2.gz VFJLMVVLFWEQAY-NEPJUHHUSA-N 0 1 275.371 3.588 20 0 CHADMN C[C@@H](NC1(c2ccc(F)cc2)CC1)c1cccc2c1OCO2 ZINC000925845731 1121263374 /nfs/dbraw/zinc/26/33/74/1121263374.db2.gz IITGSNHVWPNLLB-GFCCVEGCSA-N 0 1 299.345 3.894 20 0 CHADMN Cc1ccc(Br)c2[nH]c(C(F)F)nc21 ZINC000238533169 1121273355 /nfs/dbraw/zinc/27/33/55/1121273355.db2.gz HIIUTJGYNGYUSU-UHFFFAOYSA-N 0 1 261.069 3.571 20 0 CHADMN Cc1ccc(C)c(C(=O)Nc2nc3ccc(F)cc3[nH]2)c1 ZINC000488898204 1121293184 /nfs/dbraw/zinc/29/31/84/1121293184.db2.gz JGAFLDGZEHNBEO-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN C[N@@H+](Cc1ccc(C(F)(F)F)s1)[C@@H](CO)C(C)(C)C ZINC000432717344 1121295740 /nfs/dbraw/zinc/29/57/40/1121295740.db2.gz CYMXYIRINMTEQL-JTQLQIEISA-N 0 1 295.370 3.606 20 0 CHADMN CC[C@@H]1CCN(Cc2nc3ccc(F)cc3s2)C1 ZINC000432725861 1121297865 /nfs/dbraw/zinc/29/78/65/1121297865.db2.gz BSFXERNHNVHPFF-SNVBAGLBSA-N 0 1 264.369 3.667 20 0 CHADMN C[C@H](c1ccccc1Cl)N1CCOCC2(CCC2)C1 ZINC000544759473 1121300109 /nfs/dbraw/zinc/30/01/09/1121300109.db2.gz GSCISNFGRTVWHO-CYBMUJFWSA-N 0 1 279.811 3.904 20 0 CHADMN CN(Cc1csc(Cl)c1Cl)C[C@H]1CCCOC1 ZINC000432742145 1121306030 /nfs/dbraw/zinc/30/60/30/1121306030.db2.gz QNHNOZMKHAFXCR-SECBINFHSA-N 0 1 294.247 3.913 20 0 CHADMN CC1CCN(Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432740378 1121306797 /nfs/dbraw/zinc/30/67/97/1121306797.db2.gz AOYJGCBHEPRRNB-UHFFFAOYSA-N 0 1 263.328 3.999 20 0 CHADMN O=C(CCC1CCCCC1)Nc1cccc(-c2nnc[nH]2)c1 ZINC000509741805 1121308266 /nfs/dbraw/zinc/30/82/66/1121308266.db2.gz FWPFGBIGNZGKJY-UHFFFAOYSA-N 0 1 298.390 3.771 20 0 CHADMN CC(C)c1ccc(CN(C)Cc2ccccc2)c(O)c(=O)c1 ZINC000663824493 1121315124 /nfs/dbraw/zinc/31/51/24/1121315124.db2.gz OSVYDTDXOCJUQF-UHFFFAOYSA-N 0 1 297.398 3.508 20 0 CHADMN C[C@H]1CCN(Cc2nc3ccc(F)cc3s2)C[C@H]1C ZINC000432752713 1121316935 /nfs/dbraw/zinc/31/69/35/1121316935.db2.gz OEJKWUOYYZOUJS-WDEREUQCSA-N 0 1 278.396 3.913 20 0 CHADMN C[C@H](O)C[C@@H]1CCCN1Cc1ccc(C(F)(F)F)s1 ZINC000432752359 1121317956 /nfs/dbraw/zinc/31/79/56/1121317956.db2.gz LFHUONILGKBAAB-UWVGGRQHSA-N 0 1 293.354 3.502 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccncc2Cl)c1C ZINC000658347055 1121319649 /nfs/dbraw/zinc/31/96/49/1121319649.db2.gz XRYLESFPWKVUHJ-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CCCc1cc(C(=O)N2CCCC[C@H]2CCC(C)C)n[nH]1 ZINC000675514940 1121321818 /nfs/dbraw/zinc/32/18/18/1121321818.db2.gz VPPRQPOBAWGIKM-HNNXBMFYSA-N 0 1 291.439 3.793 20 0 CHADMN Fc1cccc(CN2CC[C@@H]3CSC[C@H]3C2)c1Cl ZINC001175444658 1121328617 /nfs/dbraw/zinc/32/86/17/1121328617.db2.gz MEBAGVFECDZRFS-VXGBXAGGSA-N 0 1 285.815 3.664 20 0 CHADMN Cc1cn(-c2ccc3n[nH]cc3c2C)c2cc(N)ccc12 ZINC001175467179 1121331109 /nfs/dbraw/zinc/33/11/09/1121331109.db2.gz MMWQCHICOLJTRK-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN Cc1nc(CN2CCC[C@H]2c2ccc(O)cc2)sc1C ZINC000675644298 1121333975 /nfs/dbraw/zinc/33/39/75/1121333975.db2.gz QGFPNOMUPGTZRP-HNNXBMFYSA-N 0 1 288.416 3.803 20 0 CHADMN Cc1nc2cc(Nc3ccc4c(c3)[C@@H](O)CC4)ccc2[nH]1 ZINC001213077356 1121335601 /nfs/dbraw/zinc/33/56/01/1121335601.db2.gz TYGGJCVKUROUIC-KRWDZBQOSA-N 0 1 279.343 3.595 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2ccc(Cl)cc2)o1 ZINC000125039638 1121338159 /nfs/dbraw/zinc/33/81/59/1121338159.db2.gz YQAZNMUQQLRJHR-NSHDSACASA-N 0 1 279.767 3.930 20 0 CHADMN CCn1nccc1CN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000125089830 1121341058 /nfs/dbraw/zinc/34/10/58/1121341058.db2.gz RDUZLGSPAOKQTP-AWEZNQCLSA-N 0 1 271.408 3.877 20 0 CHADMN Cc1cccc2c1CC[C@@H]2NCc1cccnc1OC(C)C ZINC000675750443 1121350099 /nfs/dbraw/zinc/35/00/99/1121350099.db2.gz LSSNLGBFEVFPKQ-SFHVURJKSA-N 0 1 296.414 3.954 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN[C@@H](C)c1ccsc1 ZINC000675727054 1121350113 /nfs/dbraw/zinc/35/01/13/1121350113.db2.gz JQIYYFHKDSBLIC-ZDUSSCGKSA-N 0 1 288.416 3.654 20 0 CHADMN C[C@H](NCc1ccc2cccnc2c1)c1ccoc1 ZINC000675765304 1121355938 /nfs/dbraw/zinc/35/59/38/1121355938.db2.gz BDANMXBWAVIEFT-LBPRGKRZSA-N 0 1 252.317 3.679 20 0 CHADMN Cc1occc1CN[C@@H](C)c1ccc2ccccc2n1 ZINC000675780420 1121356269 /nfs/dbraw/zinc/35/62/69/1121356269.db2.gz XYLVNMRZBSFOQA-LBPRGKRZSA-N 0 1 266.344 3.987 20 0 CHADMN C[C@@H](N[C@@H]1CSCc2ccccc21)c1cncc(F)c1 ZINC000675782563 1121359825 /nfs/dbraw/zinc/35/98/25/1121359825.db2.gz JGMOQFRIYNRGCE-BDJLRTHQSA-N 0 1 288.391 3.859 20 0 CHADMN Cc1cc(NC[C@@H](C)c2ccncc2)c2cc(F)ccc2n1 ZINC000675795231 1121359979 /nfs/dbraw/zinc/35/99/79/1121359979.db2.gz PALRTTQXRMBIQB-GFCCVEGCSA-N 0 1 295.361 3.715 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc(C2CC2)n1 ZINC001175523392 1121362486 /nfs/dbraw/zinc/36/24/86/1121362486.db2.gz JAIJYYVRQLJBJS-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cnnc(Cl)c1Cl ZINC001175523750 1121362750 /nfs/dbraw/zinc/36/27/50/1121362750.db2.gz MBPIXQDDNAFECS-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ncc(F)cc1Cl ZINC001175523861 1121363028 /nfs/dbraw/zinc/36/30/28/1121363028.db2.gz OUWSXAULSNMKLR-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ncccc1N1CCCC1 ZINC001175524352 1121363182 /nfs/dbraw/zinc/36/31/82/1121363182.db2.gz RSZDOABTKZPQRP-UHFFFAOYSA-N 0 1 293.374 3.610 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@@H]1CCc2c1cccc2C ZINC000675808150 1121364600 /nfs/dbraw/zinc/36/46/00/1121364600.db2.gz KSEWMPFESBGXJB-GOSISDBHSA-N 0 1 296.414 3.793 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cn(C2CCC2)cn1 ZINC001175524913 1121364703 /nfs/dbraw/zinc/36/47/03/1121364703.db2.gz WYRGVUCCNRNBSG-UHFFFAOYSA-N 0 1 267.336 3.536 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cnc2c(ccn2C)c1 ZINC001175525062 1121364776 /nfs/dbraw/zinc/36/47/76/1121364776.db2.gz IUSQXTRPMNYDSB-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(-c2nnco2)cc1 ZINC001175525958 1121364857 /nfs/dbraw/zinc/36/48/57/1121364857.db2.gz KPAPCYWHPFFIOY-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN CCOc1ccc(N)cc1Nc1c2cn[nH]c2ccc1C ZINC001175525397 1121365105 /nfs/dbraw/zinc/36/51/05/1121365105.db2.gz ADIMJRXUELEFNG-UHFFFAOYSA-N 0 1 282.347 3.596 20 0 CHADMN CCC[C@H](N[C@H](C)c1cncc(F)c1)c1ccccn1 ZINC000675815924 1121366278 /nfs/dbraw/zinc/36/62/78/1121366278.db2.gz HHPLOFLDWJWBDP-WBMJQRKESA-N 0 1 273.355 3.808 20 0 CHADMN CCC[C@@H](N[C@H](C)c1cncc(F)c1)c1ccccn1 ZINC000675815923 1121366395 /nfs/dbraw/zinc/36/63/95/1121366395.db2.gz HHPLOFLDWJWBDP-MLGOLLRUSA-N 0 1 273.355 3.808 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(Cl)cc1O ZINC001175525945 1121366619 /nfs/dbraw/zinc/36/66/19/1121366619.db2.gz KITYHHVSTVMKFG-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2c(c1)N(C)CCC2 ZINC001175526394 1121367211 /nfs/dbraw/zinc/36/72/11/1121367211.db2.gz OCPYMNZZFPTPJK-UHFFFAOYSA-N 0 1 292.386 3.997 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(O)c(C)c1 ZINC001175526312 1121367890 /nfs/dbraw/zinc/36/78/90/1121367890.db2.gz TUAJFGJPOSQUAJ-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1ccc(N)c(Nc2c3cn[nH]c3ccc2C)c1C ZINC001175526826 1121368667 /nfs/dbraw/zinc/36/86/67/1121368667.db2.gz WLWRTUGDANPXBL-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN COC(=O)c1ccc(C)c(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175526355 1121368767 /nfs/dbraw/zinc/36/87/67/1121368767.db2.gz MNTKOHPJPLMZJW-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN CCOC(=O)c1ccc(Nc2c3cn[nH]c3ccc2C)cc1 ZINC001175526871 1121369002 /nfs/dbraw/zinc/36/90/02/1121369002.db2.gz YLDJPRHKJBONCG-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN CCc1nccc(C)c1Nc1c2cn[nH]c2ccc1C ZINC001175526617 1121369188 /nfs/dbraw/zinc/36/91/88/1121369188.db2.gz VNCQTHSEDVANLC-UHFFFAOYSA-N 0 1 266.348 3.881 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc([C@H](C)O)c1 ZINC001175526051 1121369618 /nfs/dbraw/zinc/36/96/18/1121369618.db2.gz NJXTUZYCXWMEKK-NSHDSACASA-N 0 1 267.332 3.668 20 0 CHADMN Cc1ccc(CCCO)c(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175527806 1121369892 /nfs/dbraw/zinc/36/98/92/1121369892.db2.gz WSACGGLFCJVAPP-UHFFFAOYSA-N 0 1 295.386 3.848 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc(O)c1C ZINC001175527435 1121371416 /nfs/dbraw/zinc/37/14/16/1121371416.db2.gz NDFDPFRQQZFRQB-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COCc1ccc(Nc2c3cn[nH]c3ccc2C)cc1F ZINC001175527594 1121371815 /nfs/dbraw/zinc/37/18/15/1121371815.db2.gz QKBMDWQPGFFFMD-UHFFFAOYSA-N 0 1 285.322 3.900 20 0 CHADMN Cc1ccc(N[C@@H](c2nnc[nH]2)c2ccccc2)cc1Cl ZINC000675859100 1121374491 /nfs/dbraw/zinc/37/44/91/1121374491.db2.gz CMQYDASWTNEISY-OAHLLOKOSA-N 0 1 298.777 3.968 20 0 CHADMN Cc1ccsc1CNCc1ccncc1Br ZINC000631051446 1128981330 /nfs/dbraw/zinc/98/13/30/1128981330.db2.gz GLOCILGCMGHWGF-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN COc1cccc([C@@H](C)NCc2ccc(C(F)F)nc2)c1 ZINC000631048466 1128981334 /nfs/dbraw/zinc/98/13/34/1128981334.db2.gz XTTOTNYYBLLDRF-LLVKDONJSA-N 0 1 292.329 3.879 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@H](C)c1c(C)noc1C ZINC000675896105 1121377948 /nfs/dbraw/zinc/37/79/48/1121377948.db2.gz QTWRUPAHWVXHLY-BMIGLBTASA-N 0 1 286.375 3.638 20 0 CHADMN C[C@H](N[C@H](Cc1nccn1C)c1ccccc1)c1ccoc1 ZINC000675917817 1121380992 /nfs/dbraw/zinc/38/09/92/1121380992.db2.gz FNCMSZDZIGGWBY-WMLDXEAASA-N 0 1 295.386 3.648 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2csc(C(C)C)n2)C1 ZINC000051532640 1121381606 /nfs/dbraw/zinc/38/16/06/1121381606.db2.gz QGEUZWJUAPGWMC-GFCCVEGCSA-N 0 1 252.427 3.889 20 0 CHADMN CC[C@@H]1CCCN(Cc2csc(C(C)C)n2)C1 ZINC000051532640 1121381615 /nfs/dbraw/zinc/38/16/15/1121381615.db2.gz QGEUZWJUAPGWMC-GFCCVEGCSA-N 0 1 252.427 3.889 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1Cc1nnc(C(C)(C)C)[nH]1 ZINC000432820529 1121387352 /nfs/dbraw/zinc/38/73/52/1121387352.db2.gz IXHUZADUOALHSY-CYBMUJFWSA-N 0 1 278.444 3.647 20 0 CHADMN CC[C@@H]1CCC[N@H+]1Cc1cc(OC)ccc1Br ZINC000087797731 1121389841 /nfs/dbraw/zinc/38/98/41/1121389841.db2.gz DXTJCXRJORUZQR-GFCCVEGCSA-N 0 1 298.224 3.832 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)C[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429587974 1121390447 /nfs/dbraw/zinc/39/04/47/1121390447.db2.gz FWMYUPFDEHQGFI-TZMCWYRMSA-N 0 1 284.403 3.779 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000429587974 1121390455 /nfs/dbraw/zinc/39/04/55/1121390455.db2.gz FWMYUPFDEHQGFI-TZMCWYRMSA-N 0 1 284.403 3.779 20 0 CHADMN CC(C)(C)C=CNc1csc(Br)n1 ZINC001175571865 1121391971 /nfs/dbraw/zinc/39/19/71/1121391971.db2.gz DPFIWVJIQRCGRO-SNAWJCMRSA-N 0 1 261.188 3.877 20 0 CHADMN CN1CCC=C(Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC001175580158 1121397252 /nfs/dbraw/zinc/39/72/52/1121397252.db2.gz VPESSTIVNBGHPZ-UHFFFAOYSA-N 0 1 288.725 3.573 20 0 CHADMN Cc1ccc(NC2=CCCN(C)C2)c(C(F)(F)F)c1 ZINC001175578593 1121397376 /nfs/dbraw/zinc/39/73/76/1121397376.db2.gz MSOMPWRGPPIEKW-UHFFFAOYSA-N 0 1 270.298 3.645 20 0 CHADMN Cc1cc(CN[C@@H]2CCCOc3ccc(C(C)C)cc32)[nH]n1 ZINC000676077392 1121403910 /nfs/dbraw/zinc/40/39/10/1121403910.db2.gz QACLCRQBDBDVMN-QGZVFWFLSA-N 0 1 299.418 3.845 20 0 CHADMN Cc1cc(CN[C@@H]2CCCOc3ccc(C(C)C)cc32)n[nH]1 ZINC000676077392 1121403913 /nfs/dbraw/zinc/40/39/13/1121403913.db2.gz QACLCRQBDBDVMN-QGZVFWFLSA-N 0 1 299.418 3.845 20 0 CHADMN CCCN(C/C(Cl)=C\Cl)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000763559900 1128983296 /nfs/dbraw/zinc/98/32/96/1128983296.db2.gz IDRZWZBZSDKQAD-BYVAOGOQSA-N 0 1 292.250 3.831 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H]2COc3ccccc32)c(C)s1 ZINC000676145462 1121408884 /nfs/dbraw/zinc/40/88/84/1121408884.db2.gz IAMGOIHYIYKODY-GXFFZTMASA-N 0 1 288.416 3.587 20 0 CHADMN C[C@@H]1CCC[C@@H](N[C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000345051906 1121411478 /nfs/dbraw/zinc/41/14/78/1121411478.db2.gz AMGSKNBBMLENDH-WQVCFCJDSA-N 0 1 287.382 3.807 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(Cl)nc3C)cc12 ZINC001175694893 1121415026 /nfs/dbraw/zinc/41/50/26/1121415026.db2.gz BEXOSABYWOKLIG-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(C4CC4)nc3)cc21 ZINC001175695208 1121415088 /nfs/dbraw/zinc/41/50/88/1121415088.db2.gz YLYHVYMDVACBOR-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(=O)[nH]n3C3CCCC3)cc12 ZINC001175695399 1121415239 /nfs/dbraw/zinc/41/52/39/1121415239.db2.gz HGLLNVAJLNXJSR-UHFFFAOYSA-N 0 1 297.362 3.632 20 0 CHADMN CC(=O)N(C)c1ccc(Nc2ccc3n[nH]c(C)c3c2)cc1 ZINC001175699332 1121416186 /nfs/dbraw/zinc/41/61/86/1121416186.db2.gz NHJZDICATGSUPE-UHFFFAOYSA-N 0 1 294.358 3.598 20 0 CHADMN COc1cc(Cl)ncc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175699204 1121416414 /nfs/dbraw/zinc/41/64/14/1121416414.db2.gz MGWAKVBEIXJREM-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccnc3N3CCCC3)cc21 ZINC001175696456 1121416642 /nfs/dbraw/zinc/41/66/42/1121416642.db2.gz XWLSCNWCQFHRHP-UHFFFAOYSA-N 0 1 293.374 3.610 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc([C@@H](C)O)c3)cc12 ZINC001175699137 1121416686 /nfs/dbraw/zinc/41/66/86/1121416686.db2.gz IYFPRYXEZYOLNH-LLVKDONJSA-N 0 1 267.332 3.668 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc(-n4cccn4)c3)cc12 ZINC001175699326 1121416871 /nfs/dbraw/zinc/41/68/71/1121416871.db2.gz NFTQAGVOYANOFH-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN COc1ccc(C)c(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175699393 1121417697 /nfs/dbraw/zinc/41/76/97/1121417697.db2.gz PUSUVJWSGQERHH-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4c3CCO4)cc21 ZINC001175700180 1121417774 /nfs/dbraw/zinc/41/77/74/1121417774.db2.gz GUOICSCPBLHWEN-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN CC(=O)c1ccc(Nc2ccc3n[nH]c(C)c3c2)cc1 ZINC001175699389 1121417897 /nfs/dbraw/zinc/41/78/97/1121417897.db2.gz PPBGQBGUKOWQLG-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN CC(C)CC1(NCc2ncccc2Br)CC1 ZINC000706103902 1121418904 /nfs/dbraw/zinc/41/89/04/1121418904.db2.gz XKIPFIDLJVUOPW-UHFFFAOYSA-N 0 1 283.213 3.512 20 0 CHADMN COC(=O)c1c(F)cccc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175700795 1121418946 /nfs/dbraw/zinc/41/89/46/1121418946.db2.gz YFQLOMLVBQECSL-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN CCOC(=O)c1cccc(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175700836 1121419332 /nfs/dbraw/zinc/41/93/32/1121419332.db2.gz ZUCZBRCJSVUVKH-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4c(c3C)OCCO4)cc21 ZINC001175702330 1121420723 /nfs/dbraw/zinc/42/07/23/1121420723.db2.gz MVSXDHTZUGIXEF-UHFFFAOYSA-N 0 1 295.342 3.695 20 0 CHADMN Cc1[nH]nc2cc(Nc3ncc(C)cc3C)ccc21 ZINC001175656947 1121422222 /nfs/dbraw/zinc/42/22/22/1121422222.db2.gz MCIMOPMWZXWIAT-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN Cc1c(F)cccc1NCc1[nH]nc2ccccc21 ZINC000676317040 1121423113 /nfs/dbraw/zinc/42/31/13/1121423113.db2.gz QQLLJDCKGWBLBB-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(-c4ccccn4)no3)ccc12 ZINC001175657170 1121423540 /nfs/dbraw/zinc/42/35/40/1121423540.db2.gz QCSCHAQATFTXSF-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(C(C)(C)C)nn3C)ccc12 ZINC001175657254 1121423574 /nfs/dbraw/zinc/42/35/74/1121423574.db2.gz RVZFQKCWIZDCMO-UHFFFAOYSA-N 0 1 283.379 3.646 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(N(C)C)cc3)ccc21 ZINC001175661617 1121424058 /nfs/dbraw/zinc/42/40/58/1121424058.db2.gz PBFJRUGSRLBWJQ-UHFFFAOYSA-N 0 1 266.348 3.681 20 0 CHADMN CNc1ccnc(Cl)c1Nc1ccc2c(C)[nH]nc2c1 ZINC001175660392 1121425025 /nfs/dbraw/zinc/42/50/25/1121425025.db2.gz YKQRPPPRQJLYDB-UHFFFAOYSA-N 0 1 287.754 3.705 20 0 CHADMN COC(=O)c1cccc(Nc2ccc3c(C)[nH]nc3c2)c1C ZINC001175661580 1121425116 /nfs/dbraw/zinc/42/51/16/1121425116.db2.gz NMHUYUWVHIGYBO-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4nccnc4c3)ccc21 ZINC001175661375 1121425155 /nfs/dbraw/zinc/42/51/55/1121425155.db2.gz IRUQDAXWXIPTJM-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(F)cc(F)c3O)cc12 ZINC001175702881 1121426241 /nfs/dbraw/zinc/42/62/41/1121426241.db2.gz STYRIZVQKDBQTD-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(F)cc(N)c3Cl)ccc12 ZINC001175664009 1121427563 /nfs/dbraw/zinc/42/75/63/1121427563.db2.gz SDRWSMYZLDHWMD-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4c(c3C)OCCO4)ccc21 ZINC001175663350 1121427619 /nfs/dbraw/zinc/42/76/19/1121427619.db2.gz CUHXRYCNDBIGHA-UHFFFAOYSA-N 0 1 295.342 3.695 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4c(c3)[C@H](O)CCC4)ccc12 ZINC001175662979 1121427646 /nfs/dbraw/zinc/42/76/46/1121427646.db2.gz MQAIIWCYYTVDGK-GOSISDBHSA-N 0 1 293.370 3.985 20 0 CHADMN Cc1[nH]nc2cc(-n3ccc4c3c(N)ccc4F)ccc12 ZINC001175665893 1121427725 /nfs/dbraw/zinc/42/77/25/1121427725.db2.gz VAOQZZRMSCRUGD-UHFFFAOYSA-N 0 1 280.306 3.537 20 0 CHADMN COc1c(F)cc(F)cc1Nc1ccc2c(C)[nH]nc2c1 ZINC001175663036 1121427850 /nfs/dbraw/zinc/42/78/50/1121427850.db2.gz PLPFWFGEGGJWQG-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN OC[C@@H](Nc1ccnc2cc(F)ccc21)C1CCCCC1 ZINC000676351369 1121427864 /nfs/dbraw/zinc/42/78/64/1121427864.db2.gz AXLIOJJPMIJUMX-QGZVFWFLSA-N 0 1 288.366 3.727 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4cnoc4c3)ccc12 ZINC001175662869 1121427963 /nfs/dbraw/zinc/42/79/63/1121427963.db2.gz HOOFHZNNRSPERL-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN C[C@H]1CCC[N@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001143538070 1121428089 /nfs/dbraw/zinc/42/80/89/1121428089.db2.gz HRDFYLFKBIUNEI-VIFPVBQESA-N 0 1 277.261 3.709 20 0 CHADMN CCc1cccc(O)c1Nc1ccc2c(C)[nH]nc2c1 ZINC001175663232 1121428188 /nfs/dbraw/zinc/42/81/88/1121428188.db2.gz BMELOOOGDZZWQC-UHFFFAOYSA-N 0 1 267.332 3.883 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4cnoc43)cc12 ZINC001175703031 1121429277 /nfs/dbraw/zinc/42/92/77/1121429277.db2.gz WGTBQBFHTYIQMC-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN COCOc1cccc(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175703094 1121429351 /nfs/dbraw/zinc/42/93/51/1121429351.db2.gz XNZLDYWHACPZQP-UHFFFAOYSA-N 0 1 283.331 3.598 20 0 CHADMN FC(F)c1ccc(CN[C@H](c2cccnc2)C2CC2)cn1 ZINC000631101662 1128985137 /nfs/dbraw/zinc/98/51/37/1128985137.db2.gz JDEORQCDGJFCBC-HNNXBMFYSA-N 0 1 289.329 3.655 20 0 CHADMN Cc1ccnc(N)c1CN(C)[C@H](C)c1cc2ccccc2o1 ZINC000893918315 1121438785 /nfs/dbraw/zinc/43/87/85/1121438785.db2.gz AGBLLTOMBGLDHV-CYBMUJFWSA-N 0 1 295.386 3.911 20 0 CHADMN COc1cccc(OC)c1CNCc1csc(C)c1C ZINC000631174658 1128989475 /nfs/dbraw/zinc/98/94/75/1128989475.db2.gz YXYUSULGMYRZJA-UHFFFAOYSA-N 0 1 291.416 3.672 20 0 CHADMN c1n[nH]cc1CNCc1ccc(Sc2ccccc2)cc1 ZINC000676569647 1121444736 /nfs/dbraw/zinc/44/47/36/1121444736.db2.gz GBDSANJFTYNFPA-UHFFFAOYSA-N 0 1 295.411 3.851 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1ccc2oc(=O)oc2c1 ZINC000893945983 1121445097 /nfs/dbraw/zinc/44/50/97/1121445097.db2.gz JTJHIKMYPJHTQT-JTQLQIEISA-N 0 1 289.356 3.641 20 0 CHADMN Cc1cc(C)c(/C=C/CN[C@H](C)c2nccn2C)cc1C ZINC000631177659 1128989721 /nfs/dbraw/zinc/98/97/21/1128989721.db2.gz QBLSSKXPTIVJBH-FYCOFBDGSA-N 0 1 283.419 3.709 20 0 CHADMN CO[C@H]1CCCN(Cc2cc3ccnc(Cl)c3s2)C1 ZINC000893958453 1121446890 /nfs/dbraw/zinc/44/68/90/1121446890.db2.gz AUVLHNAKVUFDDX-NSHDSACASA-N 0 1 296.823 3.561 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H]2CCC[C@H]2C1)c1nc(C(C)(C)C)no1 ZINC000893971921 1121448328 /nfs/dbraw/zinc/44/83/28/1121448328.db2.gz OKKMPOMNFFJJIW-FVCCEPFGSA-N 0 1 277.412 3.596 20 0 CHADMN CSc1ccc(CN2CCC(OCC(C)C)CC2)o1 ZINC000893968420 1121448366 /nfs/dbraw/zinc/44/83/66/1121448366.db2.gz HZVVOYHUVDCAIG-UHFFFAOYSA-N 0 1 283.437 3.639 20 0 CHADMN Cc1[nH]nc(CN2CC[C@H]2c2ccc(Cl)cc2)c1C ZINC000894059379 1121463594 /nfs/dbraw/zinc/46/35/94/1121463594.db2.gz QVJNSKBDGUALCZ-HNNXBMFYSA-N 0 1 275.783 3.627 20 0 CHADMN Cc1[nH]nc(CN2CC[C@@H](C)C[C@H]2c2ccco2)c1C ZINC000894075186 1121466365 /nfs/dbraw/zinc/46/63/65/1121466365.db2.gz CNDCZTINTUAXJW-ABAIWWIYSA-N 0 1 273.380 3.593 20 0 CHADMN Cc1ncoc1CN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000894076239 1121466583 /nfs/dbraw/zinc/46/65/83/1121466583.db2.gz PUXHINFQISCHEV-DGCLKSJQSA-N 0 1 260.337 3.549 20 0 CHADMN CCC[C@@H]1CCCN(Cc2ccnc(Cl)c2)C1 ZINC000708502698 1121468631 /nfs/dbraw/zinc/46/86/31/1121468631.db2.gz MRZOGLOFTWJZSL-GFCCVEGCSA-N 0 1 252.789 3.747 20 0 CHADMN C[C@H](C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)CC(C)(C)C ZINC000709280533 1121470670 /nfs/dbraw/zinc/47/06/70/1121470670.db2.gz KAXQHOKXZVAYIL-AJNGGQMLSA-N 0 1 281.440 3.776 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1cn(C)cn1)c1ccc(F)cc1 ZINC000709931869 1121472203 /nfs/dbraw/zinc/47/22/03/1121472203.db2.gz GUYBOBPQOHCBIU-WBMJQRKESA-N 0 1 275.371 3.607 20 0 CHADMN CC[C@H](N[C@@H](C)c1cn(C)cn1)c1ccc(Cl)cc1 ZINC000710007280 1121473200 /nfs/dbraw/zinc/47/32/00/1121473200.db2.gz PBVOKQJAOQLQJU-FZMZJTMJSA-N 0 1 277.799 3.875 20 0 CHADMN CC(C)c1noc(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)n1 ZINC000051765559 1121484430 /nfs/dbraw/zinc/48/44/30/1121484430.db2.gz LDVMIGKIATVTRG-MJBXVCDLSA-N 0 1 277.412 3.594 20 0 CHADMN CC(C)c1noc(CN2CC[C@H](C)[C@H]3CCCC[C@@H]32)n1 ZINC000051765559 1121484433 /nfs/dbraw/zinc/48/44/33/1121484433.db2.gz LDVMIGKIATVTRG-MJBXVCDLSA-N 0 1 277.412 3.594 20 0 CHADMN O=C(Nc1nc2ccc(F)cc2[nH]1)C1CCC2(CC2)CC1 ZINC000614132879 1121485359 /nfs/dbraw/zinc/48/53/59/1121485359.db2.gz KQCGPYQUPIQRFM-UHFFFAOYSA-N 0 1 287.338 3.611 20 0 CHADMN C[C@H](CC(=O)Nc1cccc(Cl)c1O)C(F)(F)F ZINC000626280318 1121496097 /nfs/dbraw/zinc/49/60/97/1121496097.db2.gz WZRJSINUPHHABW-ZCFIWIBFSA-N 0 1 281.661 3.573 20 0 CHADMN CCOc1ccc(CNCc2ccc(C)c(F)c2)cc1F ZINC000067121617 1121498701 /nfs/dbraw/zinc/49/87/01/1121498701.db2.gz PUODOTPKVFQTCY-UHFFFAOYSA-N 0 1 291.341 3.962 20 0 CHADMN C[C@@H](N[C@H]1CC2CCC1CC2)c1noc(-c2ccccc2)n1 ZINC000432986624 1121504384 /nfs/dbraw/zinc/50/43/84/1121504384.db2.gz RPNSWOHXPDMEOB-WOICTCIZSA-N 0 1 297.402 3.966 20 0 CHADMN [NH3+]Cc1ccc(Nc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC001175968976 1121506684 /nfs/dbraw/zinc/50/66/84/1121506684.db2.gz RVRFOOCXHCEUJJ-UHFFFAOYSA-N 0 1 283.158 3.901 20 0 CHADMN C[C@@H](NCc1nc(C(C)(C)C)cs1)[C@@H]1CC1(F)F ZINC000631162715 1128988963 /nfs/dbraw/zinc/98/89/63/1128988963.db2.gz FLZQWZJPSKOUAO-BDAKNGLRSA-N 0 1 274.380 3.574 20 0 CHADMN C[C@@H](NCc1nc(C(C)(C)C)cs1)[C@H]1CC1(F)F ZINC000631162720 1128989002 /nfs/dbraw/zinc/98/90/02/1128989002.db2.gz FLZQWZJPSKOUAO-RKDXNWHRSA-N 0 1 274.380 3.574 20 0 CHADMN C[C@@]1(NCc2cc3cnccc3o2)CCOc2ccccc21 ZINC000923024577 1121513655 /nfs/dbraw/zinc/51/36/55/1121513655.db2.gz JGFCMWSELHDDQW-GOSISDBHSA-N 0 1 294.354 3.615 20 0 CHADMN c1sc2ccccc2c1Nc1ccc2nn[nH]c2c1 ZINC001175999422 1121518485 /nfs/dbraw/zinc/51/84/85/1121518485.db2.gz SMXLYUOCDPLIHP-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN c1sc2ccccc2c1Nc1ccc2n[nH]nc2c1 ZINC001175999422 1121518491 /nfs/dbraw/zinc/51/84/91/1121518491.db2.gz SMXLYUOCDPLIHP-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN Brc1sccc1Nc1ccc2nn[nH]c2c1 ZINC001176002491 1121518925 /nfs/dbraw/zinc/51/89/25/1121518925.db2.gz WVKCLDPJDUFJIO-UHFFFAOYSA-N 0 1 295.165 3.526 20 0 CHADMN Brc1sccc1Nc1ccc2n[nH]nc2c1 ZINC001176002491 1121518930 /nfs/dbraw/zinc/51/89/30/1121518930.db2.gz WVKCLDPJDUFJIO-UHFFFAOYSA-N 0 1 295.165 3.526 20 0 CHADMN c1ccc(-c2ncccc2Nc2ccc3nn[nH]c3c2)cc1 ZINC001175998832 1121518947 /nfs/dbraw/zinc/51/89/47/1121518947.db2.gz IQCLOVCHLOQNIV-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1ccc(-c2ncccc2Nc2ccc3n[nH]nc3c2)cc1 ZINC001175998832 1121518956 /nfs/dbraw/zinc/51/89/56/1121518956.db2.gz IQCLOVCHLOQNIV-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1cc(Nc2ccc(N3CCCCC3)cc2)cc2[nH]nnc12 ZINC001176002059 1121519818 /nfs/dbraw/zinc/51/98/18/1121519818.db2.gz FRUVFUZQLHVBLX-UHFFFAOYSA-N 0 1 293.374 3.692 20 0 CHADMN c1cc(Nc2ccc(N3CCCCC3)cc2)cc2n[nH]nc12 ZINC001176002059 1121519822 /nfs/dbraw/zinc/51/98/22/1121519822.db2.gz FRUVFUZQLHVBLX-UHFFFAOYSA-N 0 1 293.374 3.692 20 0 CHADMN CC(=O)c1ccc(Cl)cc1Nc1ccc2nn[nH]c2c1 ZINC001176004040 1121520225 /nfs/dbraw/zinc/52/02/25/1121520225.db2.gz YSCCNIPVEJPQHP-UHFFFAOYSA-N 0 1 286.722 3.558 20 0 CHADMN CC(=O)c1ccc(Cl)cc1Nc1ccc2n[nH]nc2c1 ZINC001176004040 1121520229 /nfs/dbraw/zinc/52/02/29/1121520229.db2.gz YSCCNIPVEJPQHP-UHFFFAOYSA-N 0 1 286.722 3.558 20 0 CHADMN CC(C)Oc1cccc(F)c1Nc1ccc2nn[nH]c2c1 ZINC001176005341 1121520261 /nfs/dbraw/zinc/52/02/61/1121520261.db2.gz RTQVZIRPPRYXHP-UHFFFAOYSA-N 0 1 286.310 3.628 20 0 CHADMN CC(C)Oc1cccc(F)c1Nc1ccc2n[nH]nc2c1 ZINC001176005341 1121520264 /nfs/dbraw/zinc/52/02/64/1121520264.db2.gz RTQVZIRPPRYXHP-UHFFFAOYSA-N 0 1 286.310 3.628 20 0 CHADMN Cc1cc(Cl)ccc1Nc1ccc2nn[nH]c2c1 ZINC001176006032 1121522478 /nfs/dbraw/zinc/52/24/78/1121522478.db2.gz PKQRFRNOBPJMEP-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1cc(Cl)ccc1Nc1ccc2n[nH]nc2c1 ZINC001176006032 1121522484 /nfs/dbraw/zinc/52/24/84/1121522484.db2.gz PKQRFRNOBPJMEP-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN CCCCOc1ccc(Nc2ccc3nn[nH]c3c2)cc1 ZINC001176005156 1121522614 /nfs/dbraw/zinc/52/26/14/1121522614.db2.gz CEVVZBHCMDCIQG-UHFFFAOYSA-N 0 1 282.347 3.880 20 0 CHADMN CCCCOc1ccc(Nc2ccc3n[nH]nc3c2)cc1 ZINC001176005156 1121522624 /nfs/dbraw/zinc/52/26/24/1121522624.db2.gz CEVVZBHCMDCIQG-UHFFFAOYSA-N 0 1 282.347 3.880 20 0 CHADMN CC[C@](C)(NCc1ccccn1)c1ccc(F)cc1 ZINC000631194756 1128991180 /nfs/dbraw/zinc/99/11/80/1128991180.db2.gz PHFVCGCYDSDALJ-INIZCTEOSA-N 0 1 258.340 3.636 20 0 CHADMN Cc1ncn(C)c1Nc1cccc(OC2CCCC2)c1 ZINC001176098837 1121529627 /nfs/dbraw/zinc/52/96/27/1121529627.db2.gz YVDZEKSJYRASKP-UHFFFAOYSA-N 0 1 271.364 3.794 20 0 CHADMN CCc1ccc(-c2noc(CN3[C@H](C)CC[C@@H]3C)n2)cc1 ZINC000466675894 1121531791 /nfs/dbraw/zinc/53/17/91/1121531791.db2.gz CSSYFAXBWIWZDS-BETUJISGSA-N 0 1 285.391 3.672 20 0 CHADMN CC(C)Cc1noc(CN2CCCC[C@@H]2CC(C)C)n1 ZINC000466676021 1121532874 /nfs/dbraw/zinc/53/28/74/1121532874.db2.gz KMHBPGNFMQNEKE-CQSZACIVSA-N 0 1 279.428 3.669 20 0 CHADMN CC[C@H](C)CCC(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000512690780 1121533242 /nfs/dbraw/zinc/53/32/42/1121533242.db2.gz OSWHLRIKGRRQAR-NSHDSACASA-N 0 1 286.379 3.545 20 0 CHADMN FC[C@H]1CCN(Cc2cc3ccccc3nc2Cl)C1 ZINC000711473762 1121537173 /nfs/dbraw/zinc/53/71/73/1121537173.db2.gz CYPCHUINBPMWLK-LLVKDONJSA-N 0 1 278.758 3.680 20 0 CHADMN CSCCCCCNc1cc[nH+]c2c([O-])cccc12 ZINC000619491366 1128992260 /nfs/dbraw/zinc/99/22/60/1128992260.db2.gz GGGAHVCHBOSYAF-UHFFFAOYSA-N 0 1 276.405 3.886 20 0 CHADMN CCO[C@@H]1C[C@@H](NCc2ncc(C3CC3)o2)C1(CC)CC ZINC000429355394 1121540265 /nfs/dbraw/zinc/54/02/65/1121540265.db2.gz OZBLDINECXZBBO-HUUCEWRRSA-N 0 1 292.423 3.625 20 0 CHADMN Cc1cccc2c1C[N@@H+](Cc1cnn(C(C)(C)C)c1)CC2 ZINC000433054667 1121541927 /nfs/dbraw/zinc/54/19/27/1121541927.db2.gz TXGBBUFPLGRVKE-UHFFFAOYSA-N 0 1 283.419 3.505 20 0 CHADMN Cc1cccc2c1CN(Cc1cnn(C(C)(C)C)c1)CC2 ZINC000433054667 1121541934 /nfs/dbraw/zinc/54/19/34/1121541934.db2.gz TXGBBUFPLGRVKE-UHFFFAOYSA-N 0 1 283.419 3.505 20 0 CHADMN Cc1ccoc1CN(C)[C@H]1CCc2ccc(F)cc21 ZINC000429361096 1121542767 /nfs/dbraw/zinc/54/27/67/1121542767.db2.gz JLXJIHAUVVJXKJ-HNNXBMFYSA-N 0 1 259.324 3.846 20 0 CHADMN Fc1ccc([C@@H](NCc2cc[nH]n2)C2CCCCC2)cc1 ZINC000631226433 1128992868 /nfs/dbraw/zinc/99/28/68/1128992868.db2.gz ANGRZRWWYGJNGM-KRWDZBQOSA-N 0 1 287.382 3.960 20 0 CHADMN CC(C)(C)COc1cccc(F)c1N=C1CCOCC1 ZINC001176145988 1121549699 /nfs/dbraw/zinc/54/96/99/1121549699.db2.gz NTZBVDOEIKOYLD-UHFFFAOYSA-N 0 1 279.355 3.967 20 0 CHADMN Cc1ccoc1CN(C)CCSc1ccccc1F ZINC000429395347 1121562442 /nfs/dbraw/zinc/56/24/42/1121562442.db2.gz BJVYSWWEUPKKAX-UHFFFAOYSA-N 0 1 279.380 3.951 20 0 CHADMN CC(C)Oc1ccc(Nc2cncn2C)c(C(F)(F)F)c1 ZINC001176172117 1121562907 /nfs/dbraw/zinc/56/29/07/1121562907.db2.gz CVOVZDQACDEYNL-UHFFFAOYSA-N 0 1 299.296 3.970 20 0 CHADMN CN(CCCOc1ccccc1)Cc1ccc(Cl)o1 ZINC000509393293 1121567998 /nfs/dbraw/zinc/56/79/98/1121567998.db2.gz OZHUJCRQEYLGBY-UHFFFAOYSA-N 0 1 279.767 3.834 20 0 CHADMN CCc1onc(C)c1CN[C@H]1c2ccccc2NC1(C)C ZINC000923427433 1121569451 /nfs/dbraw/zinc/56/94/51/1121569451.db2.gz SPHKRVSGXTVAFA-INIZCTEOSA-N 0 1 285.391 3.580 20 0 CHADMN CCCN(Cc1ncoc1C(C)C)Cc1ccccc1O ZINC000092798429 1121575636 /nfs/dbraw/zinc/57/56/36/1121575636.db2.gz WLLQMLJRKGOFIB-UHFFFAOYSA-N 0 1 288.391 3.916 20 0 CHADMN CC[C@@H]1c2ccsc2CCN1Cc1cnn2ccccc12 ZINC000509407926 1121577456 /nfs/dbraw/zinc/57/74/56/1121577456.db2.gz NGFGIJQLSMOMKC-OAHLLOKOSA-N 0 1 297.427 3.905 20 0 CHADMN FC(F)(F)c1cccnc1CN1CCC2(CCC2)CC1 ZINC000671729529 1121584571 /nfs/dbraw/zinc/58/45/71/1121584571.db2.gz FLXHHFICHNRUHB-UHFFFAOYSA-N 0 1 284.325 3.867 20 0 CHADMN COc1cccc([C@H](C)N2CCc3cc(F)ccc3C2)c1 ZINC000509417776 1121585266 /nfs/dbraw/zinc/58/52/66/1121585266.db2.gz QXOCXWRCIFCZIQ-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccc3[nH]c(=O)oc3c2)o1 ZINC000631249466 1128995281 /nfs/dbraw/zinc/99/52/81/1128995281.db2.gz FSZUBTUDBYWDJH-JTQLQIEISA-N 0 1 286.331 3.540 20 0 CHADMN COC[C@@H](C)N(C)Cc1ccc(-c2ccccc2)cc1OC ZINC000512784673 1121595414 /nfs/dbraw/zinc/59/54/14/1121595414.db2.gz VTQQJRKLNVDPMN-OAHLLOKOSA-N 0 1 299.414 3.829 20 0 CHADMN CCc1ccc(C2CCN([C@@H](C)c3n[nH]c(C)n3)CC2)cc1 ZINC000626086596 1121597389 /nfs/dbraw/zinc/59/73/89/1121597389.db2.gz HWSGXPMVBRPKCO-ZDUSSCGKSA-N 0 1 298.434 3.616 20 0 CHADMN Cc1cc(CN2CC[C@H](C3CCCCC3)C2)ns1 ZINC001249589064 1121599155 /nfs/dbraw/zinc/59/91/55/1121599155.db2.gz RKZHUEBHUSFSBM-AWEZNQCLSA-N 0 1 264.438 3.854 20 0 CHADMN CCN(CCc1ccccc1)Cc1cc(-c2ccco2)on1 ZINC000051923687 1121602232 /nfs/dbraw/zinc/60/22/32/1121602232.db2.gz YAMQUFFQKSBROY-UHFFFAOYSA-N 0 1 296.370 3.999 20 0 CHADMN CCCc1noc(CN(C)C2CCC(C(C)C)CC2)n1 ZINC000433167013 1121603088 /nfs/dbraw/zinc/60/30/88/1121603088.db2.gz MFIQYUQRUFDFLZ-UHFFFAOYSA-N 0 1 279.428 3.669 20 0 CHADMN COc1cc(Cl)cc(Nc2cc(OC)c(C)cn2)c1 ZINC001176347067 1121603462 /nfs/dbraw/zinc/60/34/62/1121603462.db2.gz JOXFLBLQJVSDIK-UHFFFAOYSA-N 0 1 278.739 3.804 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCc3ccccc3NC2=O)c(C)o1 ZINC000318190426 1121603915 /nfs/dbraw/zinc/60/39/15/1121603915.db2.gz RULLWUKEANRXEH-YVEFUNNKSA-N 0 1 298.386 3.501 20 0 CHADMN Cc1cccc(C)c1C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135036090 1121604370 /nfs/dbraw/zinc/60/43/70/1121604370.db2.gz RRVIWWYVZYKZNZ-HNNXBMFYSA-N 0 1 289.419 3.626 20 0 CHADMN COc1ccnc(Nc2ccc(OC(C)C)cc2C)c1 ZINC001211809297 1121605359 /nfs/dbraw/zinc/60/53/59/1121605359.db2.gz FGJUMBODBRWFEH-UHFFFAOYSA-N 0 1 272.348 3.929 20 0 CHADMN Cc1ccc(CN(Cc2cccc(F)c2)C2CC2)o1 ZINC000051965813 1121605554 /nfs/dbraw/zinc/60/55/54/1121605554.db2.gz BMNICQHPXUMBAG-UHFFFAOYSA-N 0 1 259.324 3.892 20 0 CHADMN COc1cccc2c1CCC[C@H]2N[C@@H](C)c1ccccn1 ZINC000194832099 1121616725 /nfs/dbraw/zinc/61/67/25/1121616725.db2.gz NKJSDWCWFAKSCS-SUMWQHHRSA-N 0 1 282.387 3.818 20 0 CHADMN Fc1ccc(SCC(F)F)c(NCc2cnc[nH]2)c1 ZINC000894130490 1121618683 /nfs/dbraw/zinc/61/86/83/1121618683.db2.gz FOYUDNWERJBALG-UHFFFAOYSA-N 0 1 287.310 3.518 20 0 CHADMN c1nc(C2CC2)c(CN[C@@H](c2cccnc2)C2CC2)s1 ZINC000487575603 1121618933 /nfs/dbraw/zinc/61/89/33/1121618933.db2.gz QVLCPJVYOVSGMV-OAHLLOKOSA-N 0 1 285.416 3.656 20 0 CHADMN CC[C@H](CN1CCCC[C@H]1c1nc2ccccc2[nH]1)OC ZINC000419287501 1121622308 /nfs/dbraw/zinc/62/23/08/1121622308.db2.gz RKPGBJAYBFFZHA-CJNGLKHVSA-N 0 1 287.407 3.515 20 0 CHADMN COc1ncccc1CN1CCCC[C@H]1c1ccccc1 ZINC000488266403 1121622938 /nfs/dbraw/zinc/62/29/38/1121622938.db2.gz PQOAFZMCNFPZKE-KRWDZBQOSA-N 0 1 282.387 3.817 20 0 CHADMN Cc1ccc(CN[C@]2(C)CCOc3ccccc32)cc1F ZINC001176423269 1121631300 /nfs/dbraw/zinc/63/13/00/1121631300.db2.gz UXPKSHGXFXREEC-GOSISDBHSA-N 0 1 285.362 3.922 20 0 CHADMN CCCn1c(C)nnc1CN(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419311884 1121642463 /nfs/dbraw/zinc/64/24/63/1121642463.db2.gz CDNDXRNCSNLNEP-LSDHHAIUSA-N 0 1 292.471 3.643 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2ccc(C)cc2)on1 ZINC000052009766 1121647256 /nfs/dbraw/zinc/64/72/56/1121647256.db2.gz DOCDFXSIAQSKFA-HNNXBMFYSA-N 0 1 256.349 3.629 20 0 CHADMN CC(C)(C)c1nnc(Nc2ccccc2Cl)o1 ZINC001176550407 1121652524 /nfs/dbraw/zinc/65/25/24/1121652524.db2.gz HZDNKHBAPSJXCP-UHFFFAOYSA-N 0 1 251.717 3.764 20 0 CHADMN CC[C@H](NCc1noc(-c2ccsc2)n1)[C@@H]1CC1(C)C ZINC000419322349 1121654384 /nfs/dbraw/zinc/65/43/84/1121654384.db2.gz SFUBBVVANFCOPY-RYUDHWBXSA-N 0 1 291.420 3.712 20 0 CHADMN C[C@@]12CCN(Cc3cccc(Cl)c3)C[C@@H]1C2(F)F ZINC000428747890 1121657332 /nfs/dbraw/zinc/65/73/32/1121657332.db2.gz YDHDRPXEZHNKIE-QWHCGFSZSA-N 0 1 271.738 3.817 20 0 CHADMN COc1ccc(F)c(CN2CC[C@@H]2Cc2ccccc2)c1 ZINC000508811941 1121658122 /nfs/dbraw/zinc/65/81/22/1121658122.db2.gz MNGVFCGALBJJGM-MRXNPFEDSA-N 0 1 285.362 3.651 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419328831 1121659039 /nfs/dbraw/zinc/65/90/39/1121659039.db2.gz AKSSTCWZGQEBSH-XJFOESAGSA-N 0 1 285.391 3.774 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419328830 1121659328 /nfs/dbraw/zinc/65/93/28/1121659328.db2.gz AKSSTCWZGQEBSH-AAVRWANBSA-N 0 1 285.391 3.774 20 0 CHADMN CC[C@@H](C(=O)OC)N1CCC(CC2CCCCC2)CC1 ZINC001176578515 1121659563 /nfs/dbraw/zinc/65/95/63/1121659563.db2.gz PBOKIBZSYGXONI-INIZCTEOSA-N 0 1 281.440 3.620 20 0 CHADMN CC(C)Oc1ncccc1CN[C@@H](C)c1cccs1 ZINC000048760437 1121662521 /nfs/dbraw/zinc/66/25/21/1121662521.db2.gz VSGGUIGRTVRYQF-LBPRGKRZSA-N 0 1 276.405 3.781 20 0 CHADMN Cc1sc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c(C)c1C ZINC000419338039 1121667914 /nfs/dbraw/zinc/66/79/14/1121667914.db2.gz BSJJKNLNWFCTFG-CWSCBRNRSA-N 0 1 294.464 3.588 20 0 CHADMN CC(C)Cn1ncnc1C[N@@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419338768 1121668522 /nfs/dbraw/zinc/66/85/22/1121668522.db2.gz SWEIGGWMPVRWGS-HUUCEWRRSA-N 0 1 292.471 3.581 20 0 CHADMN CC(C)Cn1ncnc1CN(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419338768 1121668524 /nfs/dbraw/zinc/66/85/24/1121668524.db2.gz SWEIGGWMPVRWGS-HUUCEWRRSA-N 0 1 292.471 3.581 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000162622254 1121668770 /nfs/dbraw/zinc/66/87/70/1121668770.db2.gz WHHCQGKSFOPQOV-ZDUSSCGKSA-N 0 1 299.418 3.683 20 0 CHADMN O=C1CCc2cccc(Nc3c(F)cc(F)c(O)c3F)c21 ZINC001176670785 1121671502 /nfs/dbraw/zinc/67/15/02/1121671502.db2.gz KSPQBGDYFDNWDW-UHFFFAOYSA-N 0 1 293.244 3.682 20 0 CHADMN C[NH+](C)Cc1ccccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176673681 1121673238 /nfs/dbraw/zinc/67/32/38/1121673238.db2.gz WCAYOWMBTLOZJR-UHFFFAOYSA-N 0 1 296.292 3.615 20 0 CHADMN Cc1cc(CN2CCCC[C@H]2c2ccccc2)on1 ZINC000273837704 1121680981 /nfs/dbraw/zinc/68/09/81/1121680981.db2.gz ILVGTOIAWRHRGX-INIZCTEOSA-N 0 1 256.349 3.710 20 0 CHADMN CN(Cc1ccoc1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000052442706 1121686077 /nfs/dbraw/zinc/68/60/77/1121686077.db2.gz OAZUOYBUXIJSRB-UHFFFAOYSA-N 0 1 299.292 3.853 20 0 CHADMN C[C@H]1CSCCCN1Cc1ccsc1Cl ZINC001176828374 1121697194 /nfs/dbraw/zinc/69/71/94/1121697194.db2.gz SMWLLBOCRIDTOP-VIFPVBQESA-N 0 1 261.843 3.729 20 0 CHADMN CCC[C@@](C)(NCc1nc(CC)cc(=O)[nH]1)c1ccccc1 ZINC001176891865 1121698549 /nfs/dbraw/zinc/69/85/49/1121698549.db2.gz NYQGTHLYRLBZGW-GOSISDBHSA-N 0 1 299.418 3.550 20 0 CHADMN O=C(Nc1cscc1Cl)c1cccc2[nH]ncc21 ZINC001176885124 1121698915 /nfs/dbraw/zinc/69/89/15/1121698915.db2.gz LOXLHNWUFFRWDY-UHFFFAOYSA-N 0 1 277.736 3.530 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccc3c(n1)CCCC3)CC2 ZINC000277555119 1121702101 /nfs/dbraw/zinc/70/21/01/1121702101.db2.gz HYODZZSNGDDLQV-LJQANCHMSA-N 0 1 296.389 3.877 20 0 CHADMN Cc1cc(CN[C@H](C)c2ncccc2C)cc(Cl)n1 ZINC001176896198 1121702655 /nfs/dbraw/zinc/70/26/55/1121702655.db2.gz FDOXHHPJQWTNBE-GFCCVEGCSA-N 0 1 275.783 3.598 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)C1CCC1)c1ncc[nH]1 ZINC000278961326 1121703789 /nfs/dbraw/zinc/70/37/89/1121703789.db2.gz NSLZLAHAENBXAT-DOMZBBRYSA-N 0 1 255.365 3.602 20 0 CHADMN Cc1ccc2nc(CN3CCC[C@H]3c3ccccc3)cn2c1 ZINC000054670015 1121704038 /nfs/dbraw/zinc/70/40/38/1121704038.db2.gz DAVBWMUUZFNWPQ-SFHVURJKSA-N 0 1 291.398 3.980 20 0 CHADMN FC(F)(F)c1ccc2nc(SCc3ccno3)[nH]c2c1 ZINC000614386397 1121704610 /nfs/dbraw/zinc/70/46/10/1121704610.db2.gz MMRZQQASNOYLJG-UHFFFAOYSA-N 0 1 299.277 3.862 20 0 CHADMN CCCCN(C(=O)CCc1cnc[nH]1)[C@@H](C)c1ccccc1 ZINC000279601845 1121709669 /nfs/dbraw/zinc/70/96/69/1121709669.db2.gz DQNDTFYIWGOXEF-HNNXBMFYSA-N 0 1 299.418 3.732 20 0 CHADMN Fc1cccc(CCNCc2c(Cl)cncc2Cl)c1 ZINC001177142672 1121714947 /nfs/dbraw/zinc/71/49/47/1121714947.db2.gz KAMHVKGSXNTYHN-UHFFFAOYSA-N 0 1 299.176 3.860 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)cc1 ZINC001177171478 1121715128 /nfs/dbraw/zinc/71/51/28/1121715128.db2.gz OXRNVHZHOIOASY-OCCSQVGLSA-N 0 1 297.402 3.667 20 0 CHADMN Cc1cc(OCC(=O)N(c2ccccc2)C(C)C)cc(C)n1 ZINC000152797459 1129004394 /nfs/dbraw/zinc/00/43/94/1129004394.db2.gz KWTQMCNQWRIQNR-UHFFFAOYSA-N 0 1 298.386 3.519 20 0 CHADMN CC(C)(C)C[C@H](NC(=O)CCc1cnc[nH]1)c1ccccc1 ZINC000280109640 1121717476 /nfs/dbraw/zinc/71/74/76/1121717476.db2.gz BVDSNXXLFYHIFE-INIZCTEOSA-N 0 1 299.418 3.636 20 0 CHADMN Fc1ccccc1CN1CC[C@@H](OCc2ccccc2)C1 ZINC001203353382 1121717843 /nfs/dbraw/zinc/71/78/43/1121717843.db2.gz YQXHNTADYVLVHS-QGZVFWFLSA-N 0 1 285.362 3.617 20 0 CHADMN CC[C@H](NCc1n[nH]c2ccccc12)c1ccccc1OC ZINC000727465909 1121720781 /nfs/dbraw/zinc/72/07/81/1121720781.db2.gz OZZFFTSVZUXAGS-HNNXBMFYSA-N 0 1 295.386 3.812 20 0 CHADMN CCOc1ccccc1[C@H](CC)NCc1ccoc1 ZINC000727470439 1121722163 /nfs/dbraw/zinc/72/21/63/1121722163.db2.gz CZNDDQGEEIWIKC-HNNXBMFYSA-N 0 1 259.349 3.919 20 0 CHADMN Cc1c([C@H](C)NCc2ccoc2)cnn1-c1ccccc1 ZINC000727469756 1121722369 /nfs/dbraw/zinc/72/23/69/1121722369.db2.gz FNOONYVTXZCSGG-ZDUSSCGKSA-N 0 1 281.359 3.625 20 0 CHADMN CCN(Cc1nc(C(C)(C)C)co1)CC1CCC1 ZINC000894177473 1121722385 /nfs/dbraw/zinc/72/23/85/1121722385.db2.gz WXQRCSUXAOAJAK-UHFFFAOYSA-N 0 1 250.386 3.594 20 0 CHADMN Cc1ccnc(NCC2([C@@H]3CCCCO3)CCC2)c1 ZINC000631511175 1129004913 /nfs/dbraw/zinc/00/49/13/1129004913.db2.gz UTRKGOIAQYHDGE-AWEZNQCLSA-N 0 1 260.381 3.541 20 0 CHADMN Cc1cccc(OC[C@H](C)NCc2nc3ccccc3o2)c1 ZINC001177436619 1121730543 /nfs/dbraw/zinc/73/05/43/1121730543.db2.gz FOIFECOKWGQHBI-AWEZNQCLSA-N 0 1 296.370 3.693 20 0 CHADMN CC(C)(C)CCCC(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000728959346 1121730945 /nfs/dbraw/zinc/73/09/45/1121730945.db2.gz AFCOJVMDGQMCCJ-UHFFFAOYSA-N 0 1 292.408 3.688 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)C(C)(C)C)c1ncc[nH]1 ZINC000285528350 1121761199 /nfs/dbraw/zinc/76/11/99/1121761199.db2.gz FGHSVLNONHPFPE-GXTWGEPZSA-N 0 1 257.381 3.848 20 0 CHADMN CCNC(=S)Nc1cc(Cl)ccc1SCC ZINC000729162660 1121761985 /nfs/dbraw/zinc/76/19/85/1121761985.db2.gz PAWWSINGSBWAIX-UHFFFAOYSA-N 0 1 274.842 3.758 20 0 CHADMN Cc1ccc(CN(C)C[C@@H]2CC2(Cl)Cl)s1 ZINC000728115002 1121761955 /nfs/dbraw/zinc/76/19/55/1121761955.db2.gz FXJAHIBBNPPNPY-VIFPVBQESA-N 0 1 264.221 3.682 20 0 CHADMN C[C@H](N[C@@H]1c2cccc(F)c2CC[C@H]1C)c1ncc[nH]1 ZINC000286265378 1121766870 /nfs/dbraw/zinc/76/68/70/1121766870.db2.gz VDGAXLGSCLWIBV-ZETOZRRWSA-N 0 1 273.355 3.523 20 0 CHADMN CCN1CCCC[C@H]1C(=O)Nc1ccc(C(C)C)cc1 ZINC000729282803 1121770618 /nfs/dbraw/zinc/77/06/18/1121770618.db2.gz JJQKPVKLRANWOE-INIZCTEOSA-N 0 1 274.408 3.623 20 0 CHADMN Cc1cccc2c1CC[C@@H]2NCc1cc(C(C)C)no1 ZINC000169216825 1121774041 /nfs/dbraw/zinc/77/40/41/1121774041.db2.gz ZCSCJRPGCNCXAI-INIZCTEOSA-N 0 1 270.376 3.884 20 0 CHADMN CSC[C@H]1CCCN1Cc1cc(C(F)(F)F)co1 ZINC000878200140 1121774841 /nfs/dbraw/zinc/77/48/41/1121774841.db2.gz LCOBKUCDUQVVQW-SNVBAGLBSA-N 0 1 279.327 3.626 20 0 CHADMN O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCCCC1 ZINC000027269020 1121775879 /nfs/dbraw/zinc/77/58/79/1121775879.db2.gz RSLWHRAVWSGMQB-GOSISDBHSA-N 0 1 294.398 3.852 20 0 CHADMN FC(F)c1cccc(CN[C@@H]2CCc3cccnc32)c1 ZINC001119376620 1121779593 /nfs/dbraw/zinc/77/95/93/1121779593.db2.gz XJOHORYPLLCKES-CQSZACIVSA-N 0 1 274.314 3.796 20 0 CHADMN CC(C)c1nnc(CN[C@H]2C[C@H](c3ccccc3)C2)s1 ZINC000894215179 1121791778 /nfs/dbraw/zinc/79/17/78/1121791778.db2.gz ZXQURDZCASIZSD-HDJSIYSDSA-N 0 1 287.432 3.697 20 0 CHADMN CCCc1cc(C(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)n[nH]1 ZINC000673395209 1121795366 /nfs/dbraw/zinc/79/53/66/1121795366.db2.gz JHSPAMUDBJPAJU-STQMWFEESA-N 0 1 291.439 3.649 20 0 CHADMN Cc1ccc2nc(CNc3ncc(Cl)cc3F)[nH]c2c1 ZINC000429998683 1121796567 /nfs/dbraw/zinc/79/65/67/1121796567.db2.gz DBRXVYIWKQICSO-UHFFFAOYSA-N 0 1 290.729 3.671 20 0 CHADMN CO[C@@H]1CCN([C@@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1C ZINC000451551663 1121819283 /nfs/dbraw/zinc/81/92/83/1121819283.db2.gz WRTCWWLXWCNIAM-ZIBATOQPSA-N 0 1 285.790 3.897 20 0 CHADMN Cc1coc(CN[C@@H](C)c2ccc(-n3cccn3)c(F)c2)c1 ZINC001178777872 1121819533 /nfs/dbraw/zinc/81/95/33/1121819533.db2.gz FBRBNLKZYVXIHP-ZDUSSCGKSA-N 0 1 299.349 3.764 20 0 CHADMN Cc1cc(F)c(CNCCOCC2CCCC2)c(F)c1 ZINC001178872412 1121826117 /nfs/dbraw/zinc/82/61/17/1121826117.db2.gz IMKYDCCTZQWHHP-UHFFFAOYSA-N 0 1 283.362 3.570 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccncc2F)c(C)c1 ZINC000414151741 1121832992 /nfs/dbraw/zinc/83/29/92/1121832992.db2.gz QDMFYIQKZJZWCD-CHWSQXEVSA-N 0 1 288.366 3.950 20 0 CHADMN CCn1ccnc1NCc1ccc(F)cc1C(F)(F)F ZINC000414304118 1121842230 /nfs/dbraw/zinc/84/22/30/1121842230.db2.gz QEWZZEDOIJGVQJ-UHFFFAOYSA-N 0 1 287.260 3.673 20 0 CHADMN Oc1ccc(CN[C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000619772271 1129013583 /nfs/dbraw/zinc/01/35/83/1129013583.db2.gz AYQJARJSLLEYRM-INIZCTEOSA-N 0 1 287.334 3.535 20 0 CHADMN CCCC[C@@H](CC)CCC(=O)N1CCCC2(CN(C)C2)C1 ZINC001273239103 1121858166 /nfs/dbraw/zinc/85/81/66/1121858166.db2.gz VGAKYUXYADDKSQ-MRXNPFEDSA-N 0 1 294.483 3.537 20 0 CHADMN CCC[C@@H](CNCc1c(F)cc(C)cc1F)OCC ZINC001179247658 1121864333 /nfs/dbraw/zinc/86/43/33/1121864333.db2.gz ITSBWQJGSCAUFS-LBPRGKRZSA-N 0 1 271.351 3.568 20 0 CHADMN C[C@@H]1C[C@H](NCc2cccc3c2OCCO3)c2ccccc21 ZINC000731451158 1121869065 /nfs/dbraw/zinc/86/90/65/1121869065.db2.gz ZQSZOAPLZTWEHS-DYVFJYSZSA-N 0 1 295.382 3.796 20 0 CHADMN Clc1cccc(OC2CCN(Cc3ccoc3)CC2)c1 ZINC001204242999 1121872056 /nfs/dbraw/zinc/87/20/56/1121872056.db2.gz HQFDXKRUNDFSPQ-UHFFFAOYSA-N 0 1 291.778 3.976 20 0 CHADMN COc1ccc2nc(SCc3cccc(C)n3)[nH]c2c1 ZINC000345359278 1121875811 /nfs/dbraw/zinc/87/58/11/1121875811.db2.gz AWPHDVBTNDOGEF-UHFFFAOYSA-N 0 1 285.372 3.567 20 0 CHADMN Cc1ccc2nc(SCc3cccc(C)n3)[nH]c2c1 ZINC000345428295 1121883057 /nfs/dbraw/zinc/88/30/57/1121883057.db2.gz QVAOZVKDZBJYON-UHFFFAOYSA-N 0 1 269.373 3.867 20 0 CHADMN CCCn1cc(CN[C@@H](C)c2ccc(F)cc2C)c(C)n1 ZINC001179542128 1121888582 /nfs/dbraw/zinc/88/85/82/1121888582.db2.gz WTHGUPXRYLONFE-AWEZNQCLSA-N 0 1 289.398 3.900 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000731864230 1121891069 /nfs/dbraw/zinc/89/10/69/1121891069.db2.gz PBNBUDWWVLVDAU-UHFFFAOYSA-N 0 1 280.387 3.585 20 0 CHADMN CCCCCCN(C)CC(=O)N(CC)c1ccccc1 ZINC000731895701 1121892371 /nfs/dbraw/zinc/89/23/71/1121892371.db2.gz XDNLPYYKMIZXQN-UHFFFAOYSA-N 0 1 276.424 3.552 20 0 CHADMN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NCc1csc(C(C)(C)C)n1 ZINC001179622463 1121896032 /nfs/dbraw/zinc/89/60/32/1121896032.db2.gz WVGJECLDIXKEPY-FOUMNBMASA-N 0 1 264.438 3.575 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000345655143 1121903787 /nfs/dbraw/zinc/90/37/87/1121903787.db2.gz MLTFSWGIPKNSAF-UHFFFAOYSA-N 0 1 277.327 3.637 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1csc(Cl)c1 ZINC000345702375 1121905815 /nfs/dbraw/zinc/90/58/15/1121905815.db2.gz PJQAFZPTCXZRSS-UHFFFAOYSA-N 0 1 277.736 3.530 20 0 CHADMN Cc1ccccc1[C@H](C)N(C)Cc1ccc(F)cn1 ZINC000345807786 1121915147 /nfs/dbraw/zinc/91/51/47/1121915147.db2.gz GUGGSDXEJNHZIN-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN CS[C@H]1CC[C@H](NCc2csc(C(F)(F)F)n2)C1 ZINC001119949182 1121917854 /nfs/dbraw/zinc/91/78/54/1121917854.db2.gz UJTYAJBSDHLXCX-CBAPKCEASA-N 0 1 296.383 3.536 20 0 CHADMN C[C@@H](Nc1nccs1)c1nc2ccc(Cl)cc2[nH]1 ZINC000732568571 1121927450 /nfs/dbraw/zinc/92/74/50/1121927450.db2.gz BDCUZJDNQXOFES-SSDOTTSWSA-N 0 1 278.768 3.846 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2ccc(Cl)nc2)C1 ZINC000732569154 1121928281 /nfs/dbraw/zinc/92/82/81/1121928281.db2.gz CVRWYAJFYPHBFS-CYBMUJFWSA-N 0 1 284.856 3.843 20 0 CHADMN Cc1[nH]nc(CN(C)Cc2c(Cl)cccc2Cl)c1C ZINC001179909116 1121930553 /nfs/dbraw/zinc/93/05/53/1121930553.db2.gz DSOWWPPZDWSTEY-UHFFFAOYSA-N 0 1 298.217 3.965 20 0 CHADMN CCC[C@H](C)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000501012214 1121939222 /nfs/dbraw/zinc/93/92/22/1121939222.db2.gz VGWYEWSPICSIBQ-ZDUSSCGKSA-N 0 1 287.382 3.558 20 0 CHADMN C[C@H]1Cc2ccc(Br)cc2CN1CC1(C)CC1 ZINC001180133514 1121949416 /nfs/dbraw/zinc/94/94/16/1121949416.db2.gz XAHLDFRVGGLFSQ-NSHDSACASA-N 0 1 294.236 3.996 20 0 CHADMN COc1cccc(CN2CC=C(c3ccc(C)cc3)CC2)n1 ZINC000732982035 1121949548 /nfs/dbraw/zinc/94/95/48/1121949548.db2.gz KNTHKHJRGZYWRE-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN C[N@H+](CCCc1ccccc1)Cc1ccc([O-])c(F)c1 ZINC001180121953 1121955056 /nfs/dbraw/zinc/95/50/56/1121955056.db2.gz ZVTYSVHVBRJUEB-UHFFFAOYSA-N 0 1 273.351 3.596 20 0 CHADMN C[N@@H+](CCCc1ccccc1)Cc1ccc([O-])c(F)c1 ZINC001180121953 1121955062 /nfs/dbraw/zinc/95/50/62/1121955062.db2.gz ZVTYSVHVBRJUEB-UHFFFAOYSA-N 0 1 273.351 3.596 20 0 CHADMN COc1cc(C)ccc1CN(C)CCOc1cccc(C)c1 ZINC001180157674 1121960146 /nfs/dbraw/zinc/96/01/46/1121960146.db2.gz LOYKCZAXSLTCDC-UHFFFAOYSA-N 0 1 299.414 3.823 20 0 CHADMN COc1cc(F)cc(CN(C)Cc2ccc(C)s2)c1 ZINC001180212989 1121962002 /nfs/dbraw/zinc/96/20/02/1121962002.db2.gz MATQRPREDDCHTP-UHFFFAOYSA-N 0 1 279.380 3.836 20 0 CHADMN CCCn1cc(CN2CCCCC[C@H]2c2ccccc2)nn1 ZINC001180171011 1121963076 /nfs/dbraw/zinc/96/30/76/1121963076.db2.gz SDYQIFRUHDWTNQ-SFHVURJKSA-N 0 1 298.434 3.805 20 0 CHADMN Cc1ccnc(CN2CC[C@@H](C)[C@@H](C)C2)c1Br ZINC001180199239 1121964138 /nfs/dbraw/zinc/96/41/38/1121964138.db2.gz QLABWCJTCPHVJI-PWSUYJOCSA-N 0 1 297.240 3.630 20 0 CHADMN CCCCCC(C)(C)CNCc1nnc(C)s1 ZINC000698371589 1121964435 /nfs/dbraw/zinc/96/44/35/1121964435.db2.gz ZZSSOQHLEZAJTE-UHFFFAOYSA-N 0 1 255.431 3.543 20 0 CHADMN Cc1ccnc(CN2CC[C@H](C)[C@@H](C)C2)c1Br ZINC001180199238 1121964828 /nfs/dbraw/zinc/96/48/28/1121964828.db2.gz QLABWCJTCPHVJI-JQWIXIFHSA-N 0 1 297.240 3.630 20 0 CHADMN C[C@@H]1CCN(Cc2cn(C3CC3)cn2)[C@H]2CCCC[C@@H]12 ZINC001180275010 1121966628 /nfs/dbraw/zinc/96/66/28/1121966628.db2.gz DFFPGXYRJOFOAP-COXVUDFISA-N 0 1 273.424 3.619 20 0 CHADMN Cc1nc2cccc(C(=O)NC[C@H]3CCC=CCCC3)c2[nH]1 ZINC001180306368 1121972573 /nfs/dbraw/zinc/97/25/73/1121972573.db2.gz DYSPOUHGBPXGKC-AWEZNQCLSA-N 0 1 297.402 3.738 20 0 CHADMN CCCC[C@H](CC)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000501380038 1121974788 /nfs/dbraw/zinc/97/47/88/1121974788.db2.gz ZDWMVJZYLJVSKR-DZGCQCFKSA-N 0 1 296.480 3.683 20 0 CHADMN C[C@@]1(F)CCN(CCOc2cccc3ccccc32)C1 ZINC000501412563 1121975875 /nfs/dbraw/zinc/97/58/75/1121975875.db2.gz VCJYOETWFVEDHD-QGZVFWFLSA-N 0 1 273.351 3.653 20 0 CHADMN CO[C@H](CN[C@@H](C)c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000733323081 1121976119 /nfs/dbraw/zinc/97/61/19/1121976119.db2.gz DSFWZVKVUSWTOQ-WRWORJQWSA-N 0 1 299.695 3.707 20 0 CHADMN C[C@]1(F)CCN(CCSc2ccc(Cl)cc2)C1 ZINC000501417771 1121976147 /nfs/dbraw/zinc/97/61/47/1121976147.db2.gz KPFGRSYRUAFAMK-ZDUSSCGKSA-N 0 1 273.804 3.866 20 0 CHADMN CCC1(C)CCN(Cc2ccc(OC)c(OC)c2F)CC1 ZINC001180284383 1121976507 /nfs/dbraw/zinc/97/65/07/1121976507.db2.gz GDROGUQEQUFTHP-UHFFFAOYSA-N 0 1 295.398 3.855 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2cncc(C)c2)s1 ZINC000631707027 1129022885 /nfs/dbraw/zinc/02/28/85/1129022885.db2.gz DBKFXKWIRBMCTC-MNOVXSKESA-N 0 1 261.394 3.567 20 0 CHADMN CCCn1cncc1CN(C)[C@@H]1CCCc2ccccc21 ZINC001180423034 1121985315 /nfs/dbraw/zinc/98/53/15/1121985315.db2.gz SSXNOVRGSDGNJU-GOSISDBHSA-N 0 1 283.419 3.803 20 0 CHADMN COCc1ccc([C@H]2CCCN2Cc2ccoc2C)o1 ZINC000414440552 1121985628 /nfs/dbraw/zinc/98/56/28/1121985628.db2.gz YMPCKCRBHPXIFP-OAHLLOKOSA-N 0 1 275.348 3.665 20 0 CHADMN C[C@H]1CCCN(Cc2cc(Cl)cc3c2OCC3)C1 ZINC001180372093 1121985840 /nfs/dbraw/zinc/98/58/40/1121985840.db2.gz KDXHHHLJKZPDER-NSHDSACASA-N 0 1 265.784 3.507 20 0 CHADMN CC(C)[C@@H](C)[N@@H+](Cc1ccc([O-])c(F)c1F)C1CC1 ZINC001180488304 1121991556 /nfs/dbraw/zinc/99/15/56/1121991556.db2.gz IALOJYVMSSQMQA-SNVBAGLBSA-N 0 1 269.335 3.679 20 0 CHADMN CN(Cc1c(Cl)n[nH]c1C1CC1)CC1CCCCC1 ZINC001180540723 1121999384 /nfs/dbraw/zinc/99/93/84/1121999384.db2.gz OWJPIDWRSHUKFG-UHFFFAOYSA-N 0 1 281.831 3.953 20 0 CHADMN Cc1ncoc1CN[C@H](c1ccccc1C)C(C)C ZINC000894250101 1122003408 /nfs/dbraw/zinc/00/34/08/1122003408.db2.gz DNCQBLWYLZOZMS-INIZCTEOSA-N 0 1 258.365 3.778 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C[C@H]1C ZINC000501787643 1122008558 /nfs/dbraw/zinc/00/85/58/1122008558.db2.gz YXJYUTJNPUCFML-QWHCGFSZSA-N 0 1 288.366 3.959 20 0 CHADMN C[C@H]1CCN(Cc2ncc(-c3cccc(F)c3)o2)C[C@H]1C ZINC000501787643 1122008562 /nfs/dbraw/zinc/00/85/62/1122008562.db2.gz YXJYUTJNPUCFML-QWHCGFSZSA-N 0 1 288.366 3.959 20 0 CHADMN COc1ccc2c(c1)CC[C@@H]2NCc1cccc(F)c1F ZINC000631725717 1129024792 /nfs/dbraw/zinc/02/47/92/1129024792.db2.gz IQLOCWICTGGEKF-INIZCTEOSA-N 0 1 289.325 3.751 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCOc3ccc(C)cc32)o1 ZINC000631728743 1129024837 /nfs/dbraw/zinc/02/48/37/1129024837.db2.gz XDQPCQLWDMZGCR-MRXNPFEDSA-N 0 1 271.360 3.900 20 0 CHADMN CN(Cc1cc2cc(Cl)cnc2o1)Cc1ccncc1 ZINC001180768482 1122015719 /nfs/dbraw/zinc/01/57/19/1122015719.db2.gz FRCPYMPXNOCBDX-UHFFFAOYSA-N 0 1 287.750 3.508 20 0 CHADMN Cc1coc(CN[C@@]2(C)CCCc3ccccc32)c1 ZINC001180780142 1122016192 /nfs/dbraw/zinc/01/61/92/1122016192.db2.gz QSZPOCNRROFQKQ-KRWDZBQOSA-N 0 1 255.361 3.929 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1cnn(C)c1C1CC1 ZINC001180864935 1122019030 /nfs/dbraw/zinc/01/90/30/1122019030.db2.gz BRQGWNWVTPXXCN-RVDMUPIBSA-N 0 1 295.430 3.833 20 0 CHADMN C[C@@H](C(=O)Nc1ccc(C2CC2)c2ccccc12)N(C)C ZINC001180862441 1122020164 /nfs/dbraw/zinc/02/01/64/1122020164.db2.gz OWPBGHJHUFKACK-LBPRGKRZSA-N 0 1 282.387 3.606 20 0 CHADMN CC[C@@]1(C)CN(C[C@@H](C)c2cccc(Cl)c2)CCO1 ZINC001180933971 1122023672 /nfs/dbraw/zinc/02/36/72/1122023672.db2.gz DZQQMUOCTNJWME-CJNGLKHVSA-N 0 1 281.827 3.944 20 0 CHADMN Cc1cnc(CN2CCC[C@@]2(C)Cc2ccc(F)cc2)nc1 ZINC000420920266 1122043713 /nfs/dbraw/zinc/04/37/13/1122043713.db2.gz ATCOZXPMFYRENV-SFHVURJKSA-N 0 1 299.393 3.521 20 0 CHADMN CCc1cnc(CN2CCSC3(CCC3)CC2)s1 ZINC000414479197 1122044697 /nfs/dbraw/zinc/04/46/97/1122044697.db2.gz RFDCPRVLEIYJKJ-UHFFFAOYSA-N 0 1 282.478 3.567 20 0 CHADMN CC(C)n1nccc1CN1CCC[C@H](CC(F)(F)F)C1 ZINC000420946410 1122048324 /nfs/dbraw/zinc/04/83/24/1122048324.db2.gz LUEOXBQLZHNOIR-GFCCVEGCSA-N 0 1 289.345 3.628 20 0 CHADMN C[C@@H]1CN(Cc2cccc(C3CC3)c2)C[C@@H](C2CC2)O1 ZINC001181371412 1122051242 /nfs/dbraw/zinc/05/12/42/1122051242.db2.gz BIJLGHPRAXMSBH-ACJLOTCBSA-N 0 1 271.404 3.563 20 0 CHADMN C[C@@H]1C[C@H](C)CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000502207743 1122052756 /nfs/dbraw/zinc/05/27/56/1122052756.db2.gz ZUNVOCSRATYWSJ-ZIAGYGMSSA-N 0 1 297.402 3.585 20 0 CHADMN CC[N@@H+](CCOc1ccccc1C)Cc1c(C)noc1C ZINC000420970803 1122053247 /nfs/dbraw/zinc/05/32/47/1122053247.db2.gz GPPLCXVCOFKABY-UHFFFAOYSA-N 0 1 288.391 3.501 20 0 CHADMN CCN(CCOc1ccccc1C)Cc1c(C)noc1C ZINC000420970803 1122053254 /nfs/dbraw/zinc/05/32/54/1122053254.db2.gz GPPLCXVCOFKABY-UHFFFAOYSA-N 0 1 288.391 3.501 20 0 CHADMN CC[C@H]1CN(Cc2cnc3ccccc3c2)C[C@H](CC)O1 ZINC000420964977 1122053758 /nfs/dbraw/zinc/05/37/58/1122053758.db2.gz XQRZBCHNBGEXSI-IRXDYDNUSA-N 0 1 284.403 3.624 20 0 CHADMN Cc1cc(CN(C(C)C)[C@@H](C)c2ccsc2)ncn1 ZINC000421018246 1122063461 /nfs/dbraw/zinc/06/34/61/1122063461.db2.gz WGEHICMLBDONQV-ZDUSSCGKSA-N 0 1 275.421 3.818 20 0 CHADMN C[C@@H]1CCCC[C@H]1N(C)Cc1nc(Cl)cs1 ZINC001181637462 1122065343 /nfs/dbraw/zinc/06/53/43/1122065343.db2.gz HNQCTCQCFFUSAX-NXEZZACHSA-N 0 1 258.818 3.807 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)Cc3cccc(F)c3C)ccc12 ZINC001181707728 1122071287 /nfs/dbraw/zinc/07/12/87/1122071287.db2.gz LJNLJXBGNDCGDY-UHFFFAOYSA-N 0 1 297.333 3.500 20 0 CHADMN CC1=C[C@H](C)C[C@@H](CNCc2nccc(C(F)(F)F)n2)C1 ZINC000414503046 1122077169 /nfs/dbraw/zinc/07/71/69/1122077169.db2.gz HRMFKHBGMADSNX-CMPLNLGQSA-N 0 1 299.340 3.577 20 0 CHADMN CC(C)(C)c1ccncc1CNCc1ccc(F)cc1 ZINC000414505358 1122080982 /nfs/dbraw/zinc/08/09/82/1122080982.db2.gz ZTQOKWMGUZSOOM-UHFFFAOYSA-N 0 1 272.367 3.808 20 0 CHADMN CC(C)(C)c1ncc(CN[C@@H]2CCCC[C@H]2F)s1 ZINC000414507214 1122084514 /nfs/dbraw/zinc/08/45/14/1122084514.db2.gz APSJAJBVMZVEFV-VXGBXAGGSA-N 0 1 270.417 3.811 20 0 CHADMN CC[C@H]1CCCCCN1Cc1nn(C)c(C)c1Cl ZINC000421319333 1122093505 /nfs/dbraw/zinc/09/35/05/1122093505.db2.gz MELPBHOVQKNOPM-LBPRGKRZSA-N 0 1 269.820 3.537 20 0 CHADMN CC[C@@H]1CCCCCN1Cc1nn(C)c(C)c1Cl ZINC000421319332 1122093658 /nfs/dbraw/zinc/09/36/58/1122093658.db2.gz MELPBHOVQKNOPM-GFCCVEGCSA-N 0 1 269.820 3.537 20 0 CHADMN COc1ccc(F)c(CNCc2csc(C)c2C)c1 ZINC000631178104 1122096025 /nfs/dbraw/zinc/09/60/25/1122096025.db2.gz DLZKRQOMUANPPT-UHFFFAOYSA-N 0 1 279.380 3.802 20 0 CHADMN Fc1cccc(F)c1CN[C@@H]1CCCC[C@H]1OC(F)F ZINC000502495161 1122096725 /nfs/dbraw/zinc/09/67/25/1122096725.db2.gz MVJXKGDVPAWRJW-CHWSQXEVSA-N 0 1 291.288 3.605 20 0 CHADMN CC(C)N(Cc1ccc(F)c2ccccc12)C1COC1 ZINC001181988345 1122101889 /nfs/dbraw/zinc/10/18/89/1122101889.db2.gz ZDRKMSQGBZNCRF-UHFFFAOYSA-N 0 1 273.351 3.588 20 0 CHADMN CCC[C@@]1(COC)CCCN1C/C(Cl)=C/Cl ZINC000773966286 1122104649 /nfs/dbraw/zinc/10/46/49/1122104649.db2.gz WOWDSLNFSWQQAD-KGTBHZDVSA-N 0 1 266.212 3.587 20 0 CHADMN CCC[C@]1(COC)CCCN1C/C(Cl)=C\Cl ZINC000773966285 1122104935 /nfs/dbraw/zinc/10/49/35/1122104935.db2.gz WOWDSLNFSWQQAD-JATZPVMKSA-N 0 1 266.212 3.587 20 0 CHADMN FC(F)(F)C[C@@H]1CCCN(C/C=C\c2ccncc2)C1 ZINC000421385516 1122108587 /nfs/dbraw/zinc/10/85/87/1122108587.db2.gz GQILVEUKWBCZOG-VXYRWZGASA-N 0 1 284.325 3.759 20 0 CHADMN COc1ccc(F)c(CN2CC3(CCC3)[C@H]2C(C)C)c1 ZINC001182088001 1122109306 /nfs/dbraw/zinc/10/93/06/1122109306.db2.gz SKHNVTVGTYPOQU-MRXNPFEDSA-N 0 1 277.383 3.845 20 0 CHADMN CSc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)o1 ZINC001182184938 1122117258 /nfs/dbraw/zinc/11/72/58/1122117258.db2.gz WGTJIJMVBLILKH-CQSZACIVSA-N 0 1 263.406 3.766 20 0 CHADMN CC(C)[C@@H]1N(Cc2cc(F)ccc2F)CC12CCOCC2 ZINC000414525770 1122128038 /nfs/dbraw/zinc/12/80/38/1122128038.db2.gz KFZPWGWACPHEOS-INIZCTEOSA-N 0 1 295.373 3.602 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2cc(C)cc(C)c2)nn1C ZINC000502711409 1122143435 /nfs/dbraw/zinc/14/34/35/1122143435.db2.gz HVDPBQNBLZMXIR-HUUCEWRRSA-N 0 1 271.408 3.757 20 0 CHADMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(C)nc1Cl ZINC000688552753 1129034521 /nfs/dbraw/zinc/03/45/21/1129034521.db2.gz VMWBGGBJVWKEQM-GXFFZTMASA-N 0 1 252.789 3.664 20 0 CHADMN COC(=O)c1coc([C@@H](C)NCc2c(C)cccc2C)c1 ZINC000774257093 1122149133 /nfs/dbraw/zinc/14/91/33/1122149133.db2.gz KLMJHHXYDDQZFB-CYBMUJFWSA-N 0 1 287.359 3.534 20 0 CHADMN Cn1cccc1CN1CCCC[C@@H]1c1ccccc1F ZINC001203264642 1122152355 /nfs/dbraw/zinc/15/23/55/1122152355.db2.gz YAYBYBLRPKUECY-QGZVFWFLSA-N 0 1 272.367 3.891 20 0 CHADMN CC(C)(C)c1n[nH]c(SC[C@H]2CCc3ccccc32)n1 ZINC000502873812 1122152548 /nfs/dbraw/zinc/15/25/48/1122152548.db2.gz XYSCAUOYTDXSAB-GFCCVEGCSA-N 0 1 287.432 3.924 20 0 CHADMN CC(C)(C)c1nc(SC[C@H]2CCc3ccccc32)n[nH]1 ZINC000502873812 1122152550 /nfs/dbraw/zinc/15/25/50/1122152550.db2.gz XYSCAUOYTDXSAB-GFCCVEGCSA-N 0 1 287.432 3.924 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000263371489 1129035749 /nfs/dbraw/zinc/03/57/49/1129035749.db2.gz YIIWCMVSXFMKGA-AWEZNQCLSA-N 0 1 295.382 3.791 20 0 CHADMN CC(C)[C@@H](NCc1cccc(F)n1)c1ccccc1 ZINC000774454549 1122166759 /nfs/dbraw/zinc/16/67/59/1122166759.db2.gz CALAATYLSROAPR-MRXNPFEDSA-N 0 1 258.340 3.708 20 0 CHADMN Cc1ccccc1[C@H](NCc1cccc(F)n1)C1CC1 ZINC000774455648 1122167021 /nfs/dbraw/zinc/16/70/21/1122167021.db2.gz GGDSVXSMJRKTSL-QGZVFWFLSA-N 0 1 270.351 3.770 20 0 CHADMN COc1cc(Cl)c(CN2CC[C@@H](C)C[C@H]2C)cc1OC ZINC001182491262 1122172473 /nfs/dbraw/zinc/17/24/73/1122172473.db2.gz WGNKIRWESCSKAY-VXGBXAGGSA-N 0 1 297.826 3.978 20 0 CHADMN C[C@@H](CN1Cc2cc(F)c(F)cc2C1)C(C)(C)C ZINC001182594707 1122178135 /nfs/dbraw/zinc/17/81/35/1122178135.db2.gz LDFGPPBJFHNHAL-JTQLQIEISA-N 0 1 253.336 3.963 20 0 CHADMN Cc1c(Cl)ccc(CN(C)[C@@H](C)CCO)c1Cl ZINC001182675487 1122181738 /nfs/dbraw/zinc/18/17/38/1122181738.db2.gz OEIRXOXMBNDXHY-VIFPVBQESA-N 0 1 276.207 3.505 20 0 CHADMN COc1cc(C)nc(CN[C@H](C)c2cccc(C)c2C)c1 ZINC000272082050 1122188932 /nfs/dbraw/zinc/18/89/32/1122188932.db2.gz BEZQZVNOWOSJQZ-OAHLLOKOSA-N 0 1 284.403 3.866 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)CCC2CCCC2)c1 ZINC000272101956 1122190009 /nfs/dbraw/zinc/19/00/09/1122190009.db2.gz MVDCNPUCOMIPEX-UHFFFAOYSA-N 0 1 275.348 3.504 20 0 CHADMN COc1cccc(C2(N[C@@H](C)c3cnn(C(C)C)c3)CC2)c1 ZINC000272342743 1122198313 /nfs/dbraw/zinc/19/83/13/1122198313.db2.gz ZVJOJRKXIBPCKW-AWEZNQCLSA-N 0 1 299.418 3.813 20 0 CHADMN CSC(C)(C)CCNCC(F)(F)C(C)(C)C ZINC001183023026 1122201535 /nfs/dbraw/zinc/20/15/35/1122201535.db2.gz CKUMSTJVZNNIKK-UHFFFAOYSA-N 0 1 253.402 3.789 20 0 CHADMN CN(Cc1nccs1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000272403342 1122201581 /nfs/dbraw/zinc/20/15/81/1122201581.db2.gz ZOUFVNQEMGYZLS-CABCVRRESA-N 0 1 272.417 3.911 20 0 CHADMN COCC[C@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccco1 ZINC000272519684 1122204867 /nfs/dbraw/zinc/20/48/67/1122204867.db2.gz XMQAPKMPBAJKOZ-NHYWBVRUSA-N 0 1 295.329 3.986 20 0 CHADMN COCC[C@@H](NCc1ccc(F)c(C)c1)c1ccco1 ZINC000272504990 1122204918 /nfs/dbraw/zinc/20/49/18/1122204918.db2.gz GYTHXZRIUNXWCB-OAHLLOKOSA-N 0 1 277.339 3.595 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000272510151 1122205327 /nfs/dbraw/zinc/20/53/27/1122205327.db2.gz XHSPNEGIOLCAIP-VIFPVBQESA-N 0 1 285.338 3.811 20 0 CHADMN CC(C)SCCN1CC2(CCOCC2)[C@H]1c1ccco1 ZINC001183125519 1122205669 /nfs/dbraw/zinc/20/56/69/1122205669.db2.gz VEVASJHDYNDYRS-OAHLLOKOSA-N 0 1 295.448 3.575 20 0 CHADMN COCC[C@H](N[C@H]1CCc2ccccc21)c1ccco1 ZINC000272584293 1122206606 /nfs/dbraw/zinc/20/66/06/1122206606.db2.gz QZPOOFQANLIVBH-HOTGVXAUSA-N 0 1 271.360 3.634 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000272588711 1122206677 /nfs/dbraw/zinc/20/66/77/1122206677.db2.gz RONVMOCBFYEPFL-HTQZYQBOSA-N 0 1 285.338 3.667 20 0 CHADMN CSc1ccc(CN(Cc2ccccn2)C2CC2)cc1 ZINC000272585790 1122206739 /nfs/dbraw/zinc/20/67/39/1122206739.db2.gz QJVWNJDFDAQCPC-UHFFFAOYSA-N 0 1 284.428 3.968 20 0 CHADMN C/C=C\C[C@@H]1CCCN(Cc2c(Cl)n[nH]c2CC)C1 ZINC001183171498 1122209453 /nfs/dbraw/zinc/20/94/53/1122209453.db2.gz VMQFVTSMACUXBW-KTLBGCOUSA-N 0 1 281.831 3.804 20 0 CHADMN CC[C@H]1C[C@@H](CC(=O)Nc2cccc(Cl)c2O)CCO1 ZINC000272827200 1122214179 /nfs/dbraw/zinc/21/41/79/1122214179.db2.gz NYOVWLNALQJPSE-QWRGUYRKSA-N 0 1 297.782 3.579 20 0 CHADMN COc1ccnc(CN[C@@H](CC(C)C)c2ccccc2)c1 ZINC000273209757 1122224630 /nfs/dbraw/zinc/22/46/30/1122224630.db2.gz UATYTRYSXWATNU-SFHVURJKSA-N 0 1 284.403 3.967 20 0 CHADMN C[C@H](NC1CCCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000273257336 1122225847 /nfs/dbraw/zinc/22/58/47/1122225847.db2.gz BODAROCMMZAQHZ-JTQLQIEISA-N 0 1 291.782 3.983 20 0 CHADMN Cc1nc([C@@H](C)NCCCNc2cccc(F)c2)cs1 ZINC000273312753 1122228301 /nfs/dbraw/zinc/22/83/01/1122228301.db2.gz XDTWMRPFPWTSME-LLVKDONJSA-N 0 1 293.411 3.743 20 0 CHADMN COCc1ccc(CNCc2ccc(Cl)c(C)c2)o1 ZINC000273354559 1122228619 /nfs/dbraw/zinc/22/86/19/1122228619.db2.gz BOLCUMBTSPVBNJ-UHFFFAOYSA-N 0 1 279.767 3.678 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](C)NCc1n[nH]c(C2CC2)n1 ZINC000273412115 1122232106 /nfs/dbraw/zinc/23/21/06/1122232106.db2.gz ONXHYGDYAHDPPL-LLVKDONJSA-N 0 1 296.374 3.588 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2OC[C@@H]1F)C1CCCC1 ZINC001183787768 1122239123 /nfs/dbraw/zinc/23/91/23/1122239123.db2.gz DLXZEMBMPSDZSO-PJODQICGSA-N 0 1 263.356 3.627 20 0 CHADMN CCC(CC)CCCN(C)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000620198700 1129040710 /nfs/dbraw/zinc/04/07/10/1129040710.db2.gz KAQKNNAIXHFLCB-AWEZNQCLSA-N 0 1 291.439 3.504 20 0 CHADMN C[C@H](CN[C@@H]1c2ccccc2OC[C@H]1F)c1ccccc1 ZINC001183789744 1122240040 /nfs/dbraw/zinc/24/00/40/1122240040.db2.gz WZSSNMXJDVBJNW-MZMPZRCHSA-N 0 1 285.362 3.852 20 0 CHADMN COc1cccc(F)c1CNC[C@@H](OC)C1CCCCC1 ZINC001184045280 1122253356 /nfs/dbraw/zinc/25/33/56/1122253356.db2.gz LNHNMJVQJNAGSN-QGZVFWFLSA-N 0 1 295.398 3.519 20 0 CHADMN Cc1cccc(CNCc2cccc(OC(C)(C)C)n2)c1 ZINC000503284550 1122254134 /nfs/dbraw/zinc/25/41/34/1122254134.db2.gz QENGOEXHJQGFBM-UHFFFAOYSA-N 0 1 284.403 3.857 20 0 CHADMN CCS[C@H]1CCC[C@H]1NCc1ncc(C(C)(C)C)o1 ZINC000503447731 1122262170 /nfs/dbraw/zinc/26/21/70/1122262170.db2.gz RXSLHZRMQSDTQS-NEPJUHHUSA-N 0 1 282.453 3.736 20 0 CHADMN CCCC[C@@H](C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000503518824 1122265654 /nfs/dbraw/zinc/26/56/54/1122265654.db2.gz NBTPGYCHTUYKAR-SNVBAGLBSA-N 0 1 259.353 3.636 20 0 CHADMN CC[C@]1(C)CCC[C@@H]1NCC(F)(F)C1(O)CCCCC1 ZINC001184275507 1122268054 /nfs/dbraw/zinc/26/80/54/1122268054.db2.gz APBLCZPKKHJNHU-UONOGXRCSA-N 0 1 289.410 3.875 20 0 CHADMN CSc1cc(C)ccc1CNCc1cnc(C)s1 ZINC000153499628 1122270558 /nfs/dbraw/zinc/27/05/58/1122270558.db2.gz NRADGQLVLKXFTI-UHFFFAOYSA-N 0 1 278.446 3.772 20 0 CHADMN CCCC[C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000503631440 1122271362 /nfs/dbraw/zinc/27/13/62/1122271362.db2.gz HFMZVABWHWCPIV-GFCCVEGCSA-N 0 1 286.379 3.545 20 0 CHADMN CCCCO[C@@H]1C[C@@H](N[C@H](C)c2cc(C)on2)C1(C)C ZINC000503882828 1122277613 /nfs/dbraw/zinc/27/76/13/1122277613.db2.gz BBRCNHYEHQRPES-BPLDGKMQSA-N 0 1 280.412 3.617 20 0 CHADMN CC(C)[C@H](C)N(C)Cc1csc(C(C)(C)C)n1 ZINC000504101115 1122287254 /nfs/dbraw/zinc/28/72/54/1122287254.db2.gz VQJXRPNDLSGIKY-NSHDSACASA-N 0 1 254.443 3.917 20 0 CHADMN CC(C)Oc1c(F)cc(F)c(CCN2CCCC2)c1F ZINC001250166789 1122296807 /nfs/dbraw/zinc/29/68/07/1122296807.db2.gz WLUMPMMXJHHIGC-UHFFFAOYSA-N 0 1 287.325 3.529 20 0 CHADMN COc1cc2ccnc(NCCC(C)(C)F)c2cc1OC ZINC000664370938 1122297340 /nfs/dbraw/zinc/29/73/40/1122297340.db2.gz FCYSQGFBBQMKIB-UHFFFAOYSA-N 0 1 292.354 3.802 20 0 CHADMN O=S(=O)(Nc1cc2cccccc-2c1)c1ccsc1 ZINC001185352729 1122334024 /nfs/dbraw/zinc/33/40/24/1122334024.db2.gz UHERLQQSQXFJLO-UHFFFAOYSA-N 0 1 289.381 3.654 20 0 CHADMN COc1c(C)ccc(F)c1C[N@H+]1CCCC1(C)C ZINC001250225424 1122370671 /nfs/dbraw/zinc/37/06/71/1122370671.db2.gz WAXHYCHZECYEDE-UHFFFAOYSA-N 0 1 251.345 3.517 20 0 CHADMN COc1cccc(Cl)c1CN(C(C)C)C(C)C ZINC000514126060 1122378634 /nfs/dbraw/zinc/37/86/34/1122378634.db2.gz CNEOABBXKPKXKQ-UHFFFAOYSA-N 0 1 255.789 3.967 20 0 CHADMN COc1cccc2cc(CNCc3cccc(C#N)c3)oc21 ZINC000079720680 1129050749 /nfs/dbraw/zinc/05/07/49/1129050749.db2.gz BNFOBDBVWGNOQO-UHFFFAOYSA-N 0 1 292.338 3.603 20 0 CHADMN C=Cn1cc(CN[C@H]2CC3(CCC3)Oc3ccccc32)cn1 ZINC000775005770 1122384252 /nfs/dbraw/zinc/38/42/52/1122384252.db2.gz VIKZBWVDHFXMEU-INIZCTEOSA-N 0 1 295.386 3.520 20 0 CHADMN c1csc(-c2ccc(CSc3cn[nH]n3)cc2)c1 ZINC000434649122 1122389453 /nfs/dbraw/zinc/38/94/53/1122389453.db2.gz UKYYPIVYBZIICX-UHFFFAOYSA-N 0 1 273.386 3.826 20 0 CHADMN CCCOc1ccc(CCN2CCCCC2)c(F)c1F ZINC001250241101 1122391422 /nfs/dbraw/zinc/39/14/22/1122391422.db2.gz BYKVSCBYZDLNOU-UHFFFAOYSA-N 0 1 283.362 3.782 20 0 CHADMN Cc1cc(CN)oc1C(=O)N[C@@H](CCC(C)C)C(C)(C)C ZINC000637998012 1122392628 /nfs/dbraw/zinc/39/26/28/1122392628.db2.gz GRMCZNPAPAHUDD-AWEZNQCLSA-N 0 1 294.439 3.627 20 0 CHADMN C=Cc1ccc(C(=O)Nc2nc3cccc(C)c3[nH]2)cc1 ZINC001186497551 1122394533 /nfs/dbraw/zinc/39/45/33/1122394533.db2.gz DBLFYOIWZXYTPV-UHFFFAOYSA-N 0 1 277.327 3.767 20 0 CHADMN Clc1ccc2nc(SCCc3cccnc3)[nH]c2c1 ZINC000509984368 1122396446 /nfs/dbraw/zinc/39/64/46/1122396446.db2.gz UPXISXCCWQBQKJ-UHFFFAOYSA-N 0 1 289.791 3.946 20 0 CHADMN COc1c(O)cccc1CN(C)Cc1cccc(C)c1C ZINC000430099126 1122404483 /nfs/dbraw/zinc/40/44/83/1122404483.db2.gz FGFDRGNTRHDQPT-UHFFFAOYSA-N 0 1 285.387 3.650 20 0 CHADMN Cc1cccc(CN(C)Cc2cnc3cccc(C)n23)c1C ZINC000430099290 1122404560 /nfs/dbraw/zinc/40/45/60/1122404560.db2.gz KZCQQOITYZGVPX-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@@](C)(c3ccc(C)cc3)C2)o1 ZINC000434749560 1122408901 /nfs/dbraw/zinc/40/89/01/1122408901.db2.gz VZKFWYADRXPNDT-KBXCAEBGSA-N 0 1 299.418 3.665 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@@](C)(CCc3ccccc3)C2)no1 ZINC000434905618 1122420915 /nfs/dbraw/zinc/42/09/15/1122420915.db2.gz JYYRIUNXLNHQFX-GOSISDBHSA-N 0 1 284.403 3.828 20 0 CHADMN Cc1cc(CN2CC[C@@](C)(CCc3ccccc3)C2)no1 ZINC000434905618 1122420916 /nfs/dbraw/zinc/42/09/16/1122420916.db2.gz JYYRIUNXLNHQFX-GOSISDBHSA-N 0 1 284.403 3.828 20 0 CHADMN C[C@H]1CN(CCSc2ccc(Cl)cc2)CC(C)(C)O1 ZINC000620368672 1129053544 /nfs/dbraw/zinc/05/35/44/1129053544.db2.gz KAWDUVUCFVVMTC-LBPRGKRZSA-N 0 1 299.867 3.931 20 0 CHADMN CC(C)(C)c1n[nH]cc1CN1CC[C@H]1c1ccccc1 ZINC000434990411 1122426576 /nfs/dbraw/zinc/42/65/76/1122426576.db2.gz HBVVUCJCWBLTMK-HNNXBMFYSA-N 0 1 269.392 3.654 20 0 CHADMN Cc1ccc(CN2CCN(C)C[C@@H]2c2ccccc2)s1 ZINC000434989976 1122426695 /nfs/dbraw/zinc/42/66/95/1122426695.db2.gz DLTJLLRLKKLPJV-QGZVFWFLSA-N 0 1 286.444 3.545 20 0 CHADMN CC(C)(C)c1n[nH]cc1CN1CC[C@@H]1c1ccccc1 ZINC000434990412 1122426804 /nfs/dbraw/zinc/42/68/04/1122426804.db2.gz HBVVUCJCWBLTMK-OAHLLOKOSA-N 0 1 269.392 3.654 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN(C)Cc2cccs2)o1 ZINC000505608949 1122435098 /nfs/dbraw/zinc/43/50/98/1122435098.db2.gz MNAUCFNIQVCTQV-UHFFFAOYSA-N 0 1 287.388 3.672 20 0 CHADMN C[C@H](N[C@H](CN(C)C)c1ccc(Cl)cc1)c1ccco1 ZINC000282953855 1122442903 /nfs/dbraw/zinc/44/29/03/1122442903.db2.gz CBPIIIWZLOTPHD-SWLSCSKDSA-N 0 1 292.810 3.887 20 0 CHADMN CCOc1ccc(CN(C)Cc2occc2C)cc1 ZINC000505631077 1122443791 /nfs/dbraw/zinc/44/37/91/1122443791.db2.gz FKHBVNVOCHPYDL-UHFFFAOYSA-N 0 1 259.349 3.619 20 0 CHADMN CN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccccc1 ZINC000435243085 1122447418 /nfs/dbraw/zinc/44/74/18/1122447418.db2.gz QSIJBQZAXGWBGW-UHFFFAOYSA-N 0 1 295.361 3.643 20 0 CHADMN CCOc1cc(CN(C)Cc2cccs2)ccc1OC ZINC000505633759 1122447723 /nfs/dbraw/zinc/44/77/23/1122447723.db2.gz MJGULQQLWUGIMI-UHFFFAOYSA-N 0 1 291.416 3.787 20 0 CHADMN CC(C)n1cncc1CN1CCC[C@H]1c1ccsc1 ZINC000425320157 1122452750 /nfs/dbraw/zinc/45/27/50/1122452750.db2.gz CAXPWTQOCUYNPR-HNNXBMFYSA-N 0 1 275.421 3.863 20 0 CHADMN CCN(CCC1CC1)Cc1ccc(C)nc1Cl ZINC000688610742 1129055777 /nfs/dbraw/zinc/05/57/77/1129055777.db2.gz JXAIPRWPYOUTMS-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cncn2C(C)C)cc1 ZINC000425328536 1122456480 /nfs/dbraw/zinc/45/64/80/1122456480.db2.gz RXDBHFFKGPIFOM-HNNXBMFYSA-N 0 1 271.408 3.965 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000425339094 1122457223 /nfs/dbraw/zinc/45/72/23/1122457223.db2.gz RADTUNJLACEYBX-KGLIPLIRSA-N 0 1 295.373 3.522 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000425339093 1122457597 /nfs/dbraw/zinc/45/75/97/1122457597.db2.gz RADTUNJLACEYBX-KBPBESRZSA-N 0 1 295.373 3.522 20 0 CHADMN Cc1cc(NS(=O)(=O)c2ccoc2)ccc1C(C)C ZINC001188607843 1122468587 /nfs/dbraw/zinc/46/85/87/1122468587.db2.gz NIVYHYYOOKDDHB-UHFFFAOYSA-N 0 1 279.361 3.512 20 0 CHADMN Cc1cc(CNCc2ccc(Cl)o2)cc(C)c1O ZINC000620438785 1129057258 /nfs/dbraw/zinc/05/72/58/1129057258.db2.gz UPVBNEWTHRJBKQ-UHFFFAOYSA-N 0 1 265.740 3.545 20 0 CHADMN C[C@@H]1[C@H](C(=O)Nc2ccc3nc[nH]c3c2)[C@H]1c1ccccc1 ZINC000435618287 1122478408 /nfs/dbraw/zinc/47/84/08/1122478408.db2.gz SMIGOHUEGPSCJA-JECHBYEQSA-N 0 1 291.354 3.551 20 0 CHADMN CC[C@H](SCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001188940067 1122480691 /nfs/dbraw/zinc/48/06/91/1122480691.db2.gz GQPQIIINDVYJEH-INMHGKMJSA-N 0 1 293.476 3.980 20 0 CHADMN CCOc1cc(CN2CCCC2(C)C)c(Cl)cn1 ZINC001250306064 1122483856 /nfs/dbraw/zinc/48/38/56/1122483856.db2.gz TWXCHRKXWOHWMU-UHFFFAOYSA-N 0 1 268.788 3.508 20 0 CHADMN Cc1nc([C@@H](C)SC2CCC(C)(C)CC2)n[nH]1 ZINC001189138644 1122490134 /nfs/dbraw/zinc/49/01/34/1122490134.db2.gz QQVWDEBZUXMHAL-SECBINFHSA-N 0 1 253.415 3.876 20 0 CHADMN Cc1nc([C@H](C)SC2CCC(C)(C)CC2)n[nH]1 ZINC001189138645 1122490197 /nfs/dbraw/zinc/49/01/97/1122490197.db2.gz QQVWDEBZUXMHAL-VIFPVBQESA-N 0 1 253.415 3.876 20 0 CHADMN CCN(Cc1occc1C)Cc1ccc(F)c(OC)c1 ZINC001325589686 1122496926 /nfs/dbraw/zinc/49/69/26/1122496926.db2.gz ABBXTVJMOIDKBL-UHFFFAOYSA-N 0 1 277.339 3.758 20 0 CHADMN CC[C@H]1CCCN([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000515410920 1122497379 /nfs/dbraw/zinc/49/73/79/1122497379.db2.gz LIEDNLYCLAZDIL-OLZOCXBDSA-N 0 1 294.826 3.789 20 0 CHADMN CC(C)Cc1noc(CN2CC[C@H](C)[C@H]3CCCC[C@H]32)n1 ZINC000515547057 1122508880 /nfs/dbraw/zinc/50/88/80/1122508880.db2.gz IEKMMWLPRDUKLX-RRFJBIMHSA-N 0 1 291.439 3.669 20 0 CHADMN Cc1ccc([C@H]2CCCN2C(=O)c2cc(C(C)C)[nH]n2)cc1 ZINC000515553731 1122509566 /nfs/dbraw/zinc/50/95/66/1122509566.db2.gz GSQGHMCPQVQODP-QGZVFWFLSA-N 0 1 297.402 3.819 20 0 CHADMN Cc1ccc(CN(CCOC2CCCCC2)C2CC2)o1 ZINC001190374009 1122536177 /nfs/dbraw/zinc/53/61/77/1122536177.db2.gz DWUWYHYJTONNAW-UHFFFAOYSA-N 0 1 277.408 3.902 20 0 CHADMN Cc1ccc(CN(C[C@H]2CC[C@H](C3CC3)O2)C2CC2)o1 ZINC001190375905 1122536313 /nfs/dbraw/zinc/53/63/13/1122536313.db2.gz VQRMIHBZQMKGEB-IAGOWNOFSA-N 0 1 275.392 3.510 20 0 CHADMN Cc1ccc(N(Cc2n[nH]c(C(C)C)n2)C(C)C)cc1 ZINC000794416181 1122537102 /nfs/dbraw/zinc/53/71/02/1122537102.db2.gz ZNPAYQYBQHCEKK-UHFFFAOYSA-N 0 1 272.396 3.652 20 0 CHADMN CC[C@](C)(NCc1ncc(C)s1)c1ccccc1 ZINC000775387791 1122538731 /nfs/dbraw/zinc/53/87/31/1122538731.db2.gz MIMRPLIPKVJAJB-HNNXBMFYSA-N 0 1 260.406 3.867 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc2c(cc1Cl)OCCO2 ZINC001190502717 1122540837 /nfs/dbraw/zinc/54/08/37/1122540837.db2.gz CGLLJJKHFJGWGX-ZDUSSCGKSA-N 0 1 295.810 3.876 20 0 CHADMN CCOc1ccc(CN(Cc2cnc(C)cn2)C(C)C)cc1 ZINC000505796906 1122541415 /nfs/dbraw/zinc/54/14/15/1122541415.db2.gz RHWBUFRSYSSZBT-UHFFFAOYSA-N 0 1 299.418 3.594 20 0 CHADMN CCCOC(=O)[C@@H](C)N(C)C1CCC(C(C)(C)C)CC1 ZINC001190589862 1122546808 /nfs/dbraw/zinc/54/68/08/1122546808.db2.gz UQCQXPDRJJDOLT-WLYUNCDWSA-N 0 1 283.456 3.865 20 0 CHADMN CC(C)N(Cc1ccco1)C[C@@H]1COC2(CCCCC2)O1 ZINC001190605524 1122548237 /nfs/dbraw/zinc/54/82/37/1122548237.db2.gz NRZNJYZRHHAAGL-MRXNPFEDSA-N 0 1 293.407 3.566 20 0 CHADMN CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1ccon1 ZINC000425554245 1122549871 /nfs/dbraw/zinc/54/98/71/1122549871.db2.gz VXVJVPWYJZZTIR-UHFFFAOYSA-N 0 1 298.308 3.758 20 0 CHADMN CCN(CCc1ccc(C(F)(F)F)cc1)Cc1ccon1 ZINC000425554245 1122549874 /nfs/dbraw/zinc/54/98/74/1122549874.db2.gz VXVJVPWYJZZTIR-UHFFFAOYSA-N 0 1 298.308 3.758 20 0 CHADMN CC(C)c1nc2n(n1)CCC[C@@H]2NC1CC(C(C)(C)C)C1 ZINC000436471102 1122553244 /nfs/dbraw/zinc/55/32/44/1122553244.db2.gz REWGBGSZCZURLO-RUXDESIVSA-N 0 1 290.455 3.651 20 0 CHADMN CC(C)(C)c1n[nH]c(SCC23CCC(CC2)C3)n1 ZINC000436472790 1122553753 /nfs/dbraw/zinc/55/37/53/1122553753.db2.gz AWHZJHPWBQNURW-UHFFFAOYSA-N 0 1 265.426 3.775 20 0 CHADMN CC(C)(C)c1nc(SCC23CCC(CC2)C3)n[nH]1 ZINC000436472790 1122553756 /nfs/dbraw/zinc/55/37/56/1122553756.db2.gz AWHZJHPWBQNURW-UHFFFAOYSA-N 0 1 265.426 3.775 20 0 CHADMN Clc1cccc([C@@H](NC2CCC2)c2ccccn2)c1 ZINC000121385816 1122558228 /nfs/dbraw/zinc/55/82/28/1122558228.db2.gz DIIHBKVBDHRKIM-MRXNPFEDSA-N 0 1 272.779 3.967 20 0 CHADMN Cc1cccc2nc(-c3cc(C)c(O)c(C)c3)[nH]c21 ZINC000436554653 1122559544 /nfs/dbraw/zinc/55/95/44/1122559544.db2.gz GWJXRWDEPDOKLV-UHFFFAOYSA-N 0 1 252.317 3.861 20 0 CHADMN c1cc(CN(Cc2ccccc2)C[C@@H]2CC[C@@H]3C[C@@H]3C2)n[nH]1 ZINC001191056794 1122567224 /nfs/dbraw/zinc/56/72/24/1122567224.db2.gz HKJKQOUZAKQWAP-KURKYZTESA-N 0 1 295.430 3.848 20 0 CHADMN Cc1ccc(CN2CCOC[C@H]2CC(C)C)cc1C ZINC001191068164 1122568492 /nfs/dbraw/zinc/56/84/92/1122568492.db2.gz BEEZMDUGLWMSLZ-QGZVFWFLSA-N 0 1 261.409 3.550 20 0 CHADMN CC[C@@H]1CN(Cc2cccc(C(C)(C)C)c2)C[C@H](C)O1 ZINC001191048850 1122571604 /nfs/dbraw/zinc/57/16/04/1122571604.db2.gz UKPSMRSFHVJAOS-WMLDXEAASA-N 0 1 275.436 3.983 20 0 CHADMN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1c(O)cccc1F ZINC000436737354 1122576197 /nfs/dbraw/zinc/57/61/97/1122576197.db2.gz IRIDGUPLDHUYDT-VXGBXAGGSA-N 0 1 293.382 3.818 20 0 CHADMN Cc1ccc([C@@H](C)[N@@H+](C)CCCCCC(=O)[O-])cc1 ZINC000516188076 1122577142 /nfs/dbraw/zinc/57/71/42/1122577142.db2.gz SDRXZHOJRPTUIQ-CQSZACIVSA-N 0 1 263.381 3.633 20 0 CHADMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000516300419 1122585193 /nfs/dbraw/zinc/58/51/93/1122585193.db2.gz AGSVWTSYDFYVJF-CMPLNLGQSA-N 0 1 281.783 3.659 20 0 CHADMN CC(C)C1(C)CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000436830783 1122585342 /nfs/dbraw/zinc/58/53/42/1122585342.db2.gz RLIHQTNLRGSRKI-UHFFFAOYSA-N 0 1 295.810 3.944 20 0 CHADMN C[C@H]1CCCN1Cc1cccc(F)c1Br ZINC000158005963 1122611522 /nfs/dbraw/zinc/61/15/22/1122611522.db2.gz SFFPUQQZLJYIGB-VIFPVBQESA-N 0 1 272.161 3.573 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C(C)(C)c2ccccc2)c1 ZINC000436874591 1122589807 /nfs/dbraw/zinc/58/98/07/1122589807.db2.gz AFBZFOSEFRAQBQ-UHFFFAOYSA-N 0 1 297.354 3.511 20 0 CHADMN O=C(c1ccc(F)cc1O)N1CC2(CCC2)c2ccccc21 ZINC000436885435 1122592749 /nfs/dbraw/zinc/59/27/49/1122592749.db2.gz DHMSEZUYXURRPP-UHFFFAOYSA-N 0 1 297.329 3.613 20 0 CHADMN Cc1nc2ccccn2c1CN[C@H](c1ccccn1)C(C)C ZINC000775451260 1122593223 /nfs/dbraw/zinc/59/32/23/1122593223.db2.gz ZTMOGIDZVVHJOD-SFHVURJKSA-N 0 1 294.402 3.525 20 0 CHADMN Fc1cccc([C@@H]2CCN2CCN2CCc3ccccc32)c1 ZINC001191401288 1122595421 /nfs/dbraw/zinc/59/54/21/1122595421.db2.gz XDGSEWZJRNBTFD-IBGZPJMESA-N 0 1 296.389 3.635 20 0 CHADMN CCN(C(=O)c1c(O)cccc1F)c1cccc(C)c1C ZINC000436963586 1122598237 /nfs/dbraw/zinc/59/82/37/1122598237.db2.gz ZXVNNIPUWNMFKM-UHFFFAOYSA-N 0 1 287.334 3.815 20 0 CHADMN CSc1ccc2[nH]c(-c3cc(F)c(O)c(F)c3)nc2c1 ZINC000436984350 1122599754 /nfs/dbraw/zinc/59/97/54/1122599754.db2.gz ZFRLKPVGQUJBAV-UHFFFAOYSA-N 0 1 292.310 3.936 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCCCCc2ccccc21 ZINC000436979694 1122599785 /nfs/dbraw/zinc/59/97/85/1122599785.db2.gz LESHOLNNCVVEKC-UHFFFAOYSA-N 0 1 299.345 3.905 20 0 CHADMN Cn1ccnc1[C@H](N[C@@H](c1cccs1)C1CC1)C1CC1 ZINC000638319916 1122601390 /nfs/dbraw/zinc/60/13/90/1122601390.db2.gz SWGMWASOHCGUSS-HUUCEWRRSA-N 0 1 287.432 3.674 20 0 CHADMN FC(F)(F)CNc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001161632982 1122601417 /nfs/dbraw/zinc/60/14/17/1122601417.db2.gz WZVWCXLMMVWLGS-UHFFFAOYSA-N 0 1 265.238 3.690 20 0 CHADMN CC(C)Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC001250425279 1122601986 /nfs/dbraw/zinc/60/19/86/1122601986.db2.gz AJSUMLNKHCOUCY-UHFFFAOYSA-N 0 1 258.243 3.660 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCCC[C@H]1CC1CCC1 ZINC000620568150 1129065459 /nfs/dbraw/zinc/06/54/59/1129065459.db2.gz JYNOWWYDTJVQCV-ZDUSSCGKSA-N 0 1 291.366 3.716 20 0 CHADMN CSCCc1nc2cc(C)c(C(F)(F)F)cc2[nH]1 ZINC001250426523 1122605989 /nfs/dbraw/zinc/60/59/89/1122605989.db2.gz IDHXHDMBUMNXKG-UHFFFAOYSA-N 0 1 274.311 3.796 20 0 CHADMN Clc1ccc(/C=C/CN2CCOC3(CCCC3)C2)cc1 ZINC001191558596 1122606231 /nfs/dbraw/zinc/60/62/31/1122606231.db2.gz FXUSFNQXZGNSJU-ONEGZZNKSA-N 0 1 291.822 3.998 20 0 CHADMN COc1ncccc1CN1CCC(CCC(C)C)CC1 ZINC001191610460 1122607376 /nfs/dbraw/zinc/60/73/76/1122607376.db2.gz LRTFBCWKLIVPCN-UHFFFAOYSA-N 0 1 276.424 3.738 20 0 CHADMN COc1cncc(CN2CCC(CCC(C)C)CC2)c1 ZINC001191611060 1122607764 /nfs/dbraw/zinc/60/77/64/1122607764.db2.gz XKAAPFAQCURODW-UHFFFAOYSA-N 0 1 276.424 3.738 20 0 CHADMN CCc1ccc(C(C)(C)NCc2ocnc2C)cc1 ZINC000894327042 1122610355 /nfs/dbraw/zinc/61/03/55/1122610355.db2.gz SJJXKLVODXMMLM-UHFFFAOYSA-N 0 1 258.365 3.570 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H](C)c1ccc2c(c1)COC2 ZINC000437102064 1122614416 /nfs/dbraw/zinc/61/44/16/1122614416.db2.gz VQFIECQJJMLLNN-QWHCGFSZSA-N 0 1 298.386 3.532 20 0 CHADMN CC[C@H](C)N(C)Cc1cccc(F)c1Br ZINC000158016433 1122616694 /nfs/dbraw/zinc/61/66/94/1122616694.db2.gz ZTGDDIVZZHGYEO-VIFPVBQESA-N 0 1 274.177 3.819 20 0 CHADMN C[C@H](NCC1(C)CC1)c1nc(C2CCCCC2)no1 ZINC000516615050 1122617002 /nfs/dbraw/zinc/61/70/02/1122617002.db2.gz GXCQRUQIELYOHA-NSHDSACASA-N 0 1 263.385 3.568 20 0 CHADMN Cn1cccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC001250445480 1122627000 /nfs/dbraw/zinc/62/70/00/1122627000.db2.gz KSRHXQGMQHDATP-UHFFFAOYSA-N 0 1 283.228 3.726 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1nc(C2CCC2)no1 ZINC001192213213 1122633316 /nfs/dbraw/zinc/63/33/16/1122633316.db2.gz DKWIYLPDRCHXSJ-AWEZNQCLSA-N 0 1 277.412 3.882 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN(C)[C@@H](C)C1(C)CC1 ZINC000437509204 1122638225 /nfs/dbraw/zinc/63/82/25/1122638225.db2.gz SXHUONJOTCZABL-ZDUSSCGKSA-N 0 1 284.403 3.779 20 0 CHADMN Cc1ccc(-c2nnc(CN(C)[C@H](C)C3(C)CC3)o2)cc1 ZINC000437539564 1122639070 /nfs/dbraw/zinc/63/90/70/1122639070.db2.gz UITMZUODQUKQBJ-CYBMUJFWSA-N 0 1 285.391 3.665 20 0 CHADMN CCC(CC)n1ccc(CN2C[C@H](C)CC[C@H]2C)n1 ZINC000437566368 1122640359 /nfs/dbraw/zinc/64/03/59/1122640359.db2.gz FTLDJKOMWLJUHD-ZIAGYGMSSA-N 0 1 263.429 3.865 20 0 CHADMN CC(=O)Nc1ccc2nc(-c3sccc3C)[nH]c2c1 ZINC001250469050 1122642684 /nfs/dbraw/zinc/64/26/84/1122642684.db2.gz BPDYSBDVUJEDNB-UHFFFAOYSA-N 0 1 271.345 3.558 20 0 CHADMN C[N@@H+](CC[C@H]1CCOC1)Cc1cccc(Cl)c1Cl ZINC000437584200 1122643476 /nfs/dbraw/zinc/64/34/76/1122643476.db2.gz RJNCTVKNTVMLGK-NSHDSACASA-N 0 1 288.218 3.852 20 0 CHADMN OC[C@@H](NCc1ccc2ccccc2c1)c1cccc(F)c1 ZINC001192460482 1122647339 /nfs/dbraw/zinc/64/73/39/1122647339.db2.gz ABXHFUZIKWWCHV-LJQANCHMSA-N 0 1 295.357 3.802 20 0 CHADMN Cc1ccc(CN2CC[C@H](Oc3cc(F)ccc3F)C2)o1 ZINC001203293978 1122647856 /nfs/dbraw/zinc/64/78/56/1122647856.db2.gz NMUHRSBRIKRMBH-AWEZNQCLSA-N 0 1 293.313 3.520 20 0 CHADMN CO[C@H](CC(C)C)CN(C)Cc1cc(F)c(F)c(F)c1 ZINC001192534963 1122650536 /nfs/dbraw/zinc/65/05/36/1122650536.db2.gz AKDKYVXFINVUDH-GFCCVEGCSA-N 0 1 289.341 3.597 20 0 CHADMN c1ccc2[nH]c(CN3CCC[C@H]4CCCC[C@@H]43)nc2c1 ZINC000506112090 1122651138 /nfs/dbraw/zinc/65/11/38/1122651138.db2.gz IXZJYNPAOPUXPZ-CJNGLKHVSA-N 0 1 269.392 3.718 20 0 CHADMN Cc1cc(F)cc2[nH]c(-c3ccc(F)cc3F)nc21 ZINC001250481023 1122651649 /nfs/dbraw/zinc/65/16/49/1122651649.db2.gz UUAVFTPNGIDOQO-UHFFFAOYSA-N 0 1 262.234 3.956 20 0 CHADMN COCc1nc(C[N@H+]2CCCCC[C@H]2C(C)C)cs1 ZINC001192652043 1122654042 /nfs/dbraw/zinc/65/40/42/1122654042.db2.gz AIDYYWKQVAIYDL-AWEZNQCLSA-N 0 1 282.453 3.690 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](C)c2cc(Cl)ccc2F)n[nH]1 ZINC001192574170 1122654144 /nfs/dbraw/zinc/65/41/44/1122654144.db2.gz BBWNLUSGSINEHX-RKDXNWHRSA-N 0 1 296.777 3.571 20 0 CHADMN CN(CCOc1ccccc1F)Cc1cc(F)cc(F)c1 ZINC000506135463 1122657619 /nfs/dbraw/zinc/65/76/19/1122657619.db2.gz CXBXRPLTNCVQTQ-UHFFFAOYSA-N 0 1 295.304 3.615 20 0 CHADMN C[C@H](NC[C@@H]1CC1(Cl)Cl)c1cccc(F)c1F ZINC000775551596 1122661022 /nfs/dbraw/zinc/66/10/22/1122661022.db2.gz ZXHBUJXUBXWVCC-YUMQZZPRSA-N 0 1 280.145 3.809 20 0 CHADMN CCc1cccc(C(=O)Nc2nc3cccc(C)c3[nH]2)c1 ZINC001192953953 1122665207 /nfs/dbraw/zinc/66/52/07/1122665207.db2.gz ZDQAKNDWJIHAHY-UHFFFAOYSA-N 0 1 279.343 3.686 20 0 CHADMN CN1CCN(Cc2ccccc2CF)[C@@H](c2ccccc2)C1 ZINC001193021975 1122671005 /nfs/dbraw/zinc/67/10/05/1122671005.db2.gz NLIMDMFVMYYPSC-LJQANCHMSA-N 0 1 298.405 3.645 20 0 CHADMN CCC(CC)n1ccc(CN2CCC[C@H](C)[C@@H]2C)n1 ZINC000438062956 1122673934 /nfs/dbraw/zinc/67/39/34/1122673934.db2.gz XVBWEFVCLWVECM-KBPBESRZSA-N 0 1 263.429 3.865 20 0 CHADMN C[C@H](CN1CCO[C@@H](c2ccco2)C1)c1ccc(F)cc1 ZINC000438104163 1122678433 /nfs/dbraw/zinc/67/84/33/1122678433.db2.gz JXPGVRDLSOOSBZ-CXAGYDPISA-N 0 1 289.350 3.596 20 0 CHADMN CC(F)(F)CCCN1CCO[C@H](CCc2ccccc2)C1 ZINC001193198814 1122680800 /nfs/dbraw/zinc/68/08/00/1122680800.db2.gz WCGPDXQMNUMSPS-MRXNPFEDSA-N 0 1 297.389 3.755 20 0 CHADMN Cc1ccsc1[C@@H](CO)NCc1ccc(Cl)cc1F ZINC000438173026 1122683490 /nfs/dbraw/zinc/68/34/90/1122683490.db2.gz CYXMRJRJLLIAGZ-CYBMUJFWSA-N 0 1 299.798 3.672 20 0 CHADMN CCC(CC)n1ccc(C[N@@H+](C)CCc2cccs2)n1 ZINC000438190571 1122686448 /nfs/dbraw/zinc/68/64/48/1122686448.db2.gz ODSBKRANWDCFLM-UHFFFAOYSA-N 0 1 291.464 3.980 20 0 CHADMN CCC(CC)n1ccc(CN(C)CCc2cccs2)n1 ZINC000438190571 1122686452 /nfs/dbraw/zinc/68/64/52/1122686452.db2.gz ODSBKRANWDCFLM-UHFFFAOYSA-N 0 1 291.464 3.980 20 0 CHADMN CCOC(=O)[C@H](C)N(CC[C@H]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC001193472222 1122691467 /nfs/dbraw/zinc/69/14/67/1122691467.db2.gz FDJCBAOVVMJBHK-XUWVNRHRSA-N 0 1 295.467 3.865 20 0 CHADMN CC1(C)CCCCN(Cc2nccn2Cc2ccccc2)C1 ZINC000438351907 1122691883 /nfs/dbraw/zinc/69/18/83/1122691883.db2.gz GRWGAXVKKGZYMU-UHFFFAOYSA-N 0 1 297.446 3.944 20 0 CHADMN CCc1nc(CN2CCCC3(CCCC3)C2)cs1 ZINC000438357373 1122695986 /nfs/dbraw/zinc/69/59/86/1122695986.db2.gz SDFVDRGFZNRYSV-UHFFFAOYSA-N 0 1 264.438 3.862 20 0 CHADMN CCOc1ccccc1CN(C)Cc1ccccc1N(C)C ZINC000506221932 1122696837 /nfs/dbraw/zinc/69/68/37/1122696837.db2.gz XAPVWSVNTJOHOV-UHFFFAOYSA-N 0 1 298.430 3.783 20 0 CHADMN CCC1(CC)CCN(CC(=O)Nc2c(C)cccc2C)C1 ZINC000438504128 1122705088 /nfs/dbraw/zinc/70/50/88/1122705088.db2.gz IUSIUCGZPJJTBV-UHFFFAOYSA-N 0 1 288.435 3.754 20 0 CHADMN COC(=O)[C@@H]1C[C@H](C)CCN1CCC1C[C@H](C)C[C@@H](C)C1 ZINC001193685969 1122709538 /nfs/dbraw/zinc/70/95/38/1122709538.db2.gz IIPGFYCBDZMOKW-ANQUJSFKSA-N 0 1 295.467 3.722 20 0 CHADMN C[C@@H](Oc1cccc2[nH]nnc21)c1csc(Cl)c1 ZINC001225990488 1122716051 /nfs/dbraw/zinc/71/60/51/1122716051.db2.gz AEWSQAVEXGNSLC-SSDOTTSWSA-N 0 1 279.752 3.813 20 0 CHADMN Cc1nnsc1CN[C@H](C)c1cccc(CC(C)C)c1 ZINC000293665229 1122717397 /nfs/dbraw/zinc/71/73/97/1122717397.db2.gz MGGHZEYBPDXTAF-GFCCVEGCSA-N 0 1 289.448 3.896 20 0 CHADMN c1ccc([C@H]2CN(Cc3ccc4c(c3)CCC4)CCO2)cc1 ZINC000506325796 1122719217 /nfs/dbraw/zinc/71/92/17/1122719217.db2.gz JYRDUBAGAOJVMR-HXUWFJFHSA-N 0 1 293.410 3.749 20 0 CHADMN c1ccc(OC2CCCC2)c(CN2CCSCC2)c1 ZINC000506323654 1122719890 /nfs/dbraw/zinc/71/98/90/1122719890.db2.gz BMLQTFONQSCXIJ-UHFFFAOYSA-N 0 1 277.433 3.557 20 0 CHADMN c1ccc([C@@H]2C[C@@H]2CN2CCO[C@H](c3ccccc3)C2)cc1 ZINC000506328598 1122720341 /nfs/dbraw/zinc/72/03/41/1122720341.db2.gz VRQOBEFZMBZMGN-AABGKKOBSA-N 0 1 293.410 3.864 20 0 CHADMN Cc1c(F)cccc1-c1ccc(CN2CCSCC2)o1 ZINC000506344074 1122720758 /nfs/dbraw/zinc/72/07/58/1122720758.db2.gz XMBNPZHTOURUIW-UHFFFAOYSA-N 0 1 291.391 3.943 20 0 CHADMN Fc1ccccc1CCN1CC[C@@](F)(c2ccccc2)C1 ZINC001193828561 1122722970 /nfs/dbraw/zinc/72/29/70/1122722970.db2.gz RCDGJQNOFUBCLV-SFHVURJKSA-N 0 1 287.353 3.939 20 0 CHADMN CC[C@@H]1CCCN(Cc2cnc3ccc(Cl)cn23)C1 ZINC000509549414 1122726513 /nfs/dbraw/zinc/72/65/13/1122726513.db2.gz OCRKVEFWQIATBY-GFCCVEGCSA-N 0 1 277.799 3.610 20 0 CHADMN CCC(CC)n1ccc(CN(C)[C@H]2CC[C@@H](C)C2)n1 ZINC000429595863 1122729151 /nfs/dbraw/zinc/72/91/51/1122729151.db2.gz XMNMAISQIZUSTR-CJNGLKHVSA-N 0 1 263.429 3.865 20 0 CHADMN CCc1ccc([C@H](C)NCc2cnccc2OC)s1 ZINC000294523580 1122730364 /nfs/dbraw/zinc/73/03/64/1122730364.db2.gz ZIZHWXHHBMWQQT-NSHDSACASA-N 0 1 276.405 3.565 20 0 CHADMN Cc1cnc(CNCCSc2ccc(C)cc2)s1 ZINC000294779812 1122736302 /nfs/dbraw/zinc/73/63/02/1122736302.db2.gz NQIAHPFCGDFBKF-UHFFFAOYSA-N 0 1 278.446 3.642 20 0 CHADMN CC/C=C/CC[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC001194019757 1122738749 /nfs/dbraw/zinc/73/87/49/1122738749.db2.gz DDIQSARSWYTYQI-MBVDDHJVSA-N 0 1 276.399 3.693 20 0 CHADMN CCc1ccc2[nH+]ccc(NCc3n[nH]c(C(C)C)n3)c2c1 ZINC000294948474 1122739526 /nfs/dbraw/zinc/73/95/26/1122739526.db2.gz LWANGDPEBVASKV-UHFFFAOYSA-N 0 1 295.390 3.651 20 0 CHADMN O=C(Nc1ncc(Cl)cc1O)Oc1ccc(Cl)cc1 ZINC001194028201 1122739707 /nfs/dbraw/zinc/73/97/07/1122739707.db2.gz LWVUVXNGMGVTJJ-UHFFFAOYSA-N 0 1 299.113 3.705 20 0 CHADMN CC(C)c1ccoc1-c1noc(CN2[C@@H](C)CC[C@@H]2C)n1 ZINC000426239852 1122742589 /nfs/dbraw/zinc/74/25/89/1122742589.db2.gz PZDNFFKFXYHUKC-RYUDHWBXSA-N 0 1 289.379 3.826 20 0 CHADMN Cc1cc2c([nH]c(-c3nc4ccccc4o3)nc2=O)s1 ZINC000439006558 1122746260 /nfs/dbraw/zinc/74/62/60/1122746260.db2.gz KNOXLCWPMJEJLE-UHFFFAOYSA-N 0 1 283.312 3.514 20 0 CHADMN Cc1ccccc1[C@H](N[C@H](C)c1cn(C(C)C)nn1)C1CC1 ZINC000925046507 1122752701 /nfs/dbraw/zinc/75/27/01/1122752701.db2.gz QXVRBWOASKIFAA-RDTXWAMCSA-N 0 1 298.434 3.969 20 0 CHADMN Cn1cccc1CNCc1ccc(-c2ccco2)cc1F ZINC000578425728 1122755055 /nfs/dbraw/zinc/75/50/55/1122755055.db2.gz CBZZWQFEMDPNHG-UHFFFAOYSA-N 0 1 284.334 3.714 20 0 CHADMN Cc1ccc(F)c(CN2CC(c3ccccc3)C2)c1 ZINC001205655150 1122755599 /nfs/dbraw/zinc/75/55/99/1122755599.db2.gz KOPKHGZXNARIHV-UHFFFAOYSA-N 0 1 255.336 3.734 20 0 CHADMN NC1(c2noc(Cc3cccc4ccccc43)n2)CCCC1 ZINC000261977372 1122759341 /nfs/dbraw/zinc/75/93/41/1122759341.db2.gz QYSCSUZMVXCXSY-UHFFFAOYSA-N 0 1 293.370 3.542 20 0 CHADMN CCN(Cc1ccc(COC)o1)Cc1ccccc1C ZINC000153733280 1129076154 /nfs/dbraw/zinc/07/61/54/1129076154.db2.gz JAWGNQAFXSKYIF-UHFFFAOYSA-N 0 1 273.376 3.757 20 0 CHADMN Cc1ccoc1CN[C@H](C)c1cc2c(s1)CCC2 ZINC000426335330 1122766066 /nfs/dbraw/zinc/76/60/66/1122766066.db2.gz OXSSKFIZEHXUMZ-LLVKDONJSA-N 0 1 261.390 3.989 20 0 CHADMN CCCOc1c(Cl)cc(C[N@@H+](C)C2CC2)cc1OC ZINC000153763495 1129076981 /nfs/dbraw/zinc/07/69/81/1129076981.db2.gz WBQCDPQXVBXVSE-UHFFFAOYSA-N 0 1 283.799 3.732 20 0 CHADMN COCC(C)(C)CN1CC=C(c2c(F)cccc2F)CC1 ZINC000426371807 1122775652 /nfs/dbraw/zinc/77/56/52/1122775652.db2.gz OYGLLWGKWUBDKR-UHFFFAOYSA-N 0 1 295.373 3.727 20 0 CHADMN C/C(=C/c1ccccc1)C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000426375226 1122776425 /nfs/dbraw/zinc/77/64/25/1122776425.db2.gz ARBKXTOWEYFSPT-VBKFSLOCSA-N 0 1 299.389 3.724 20 0 CHADMN COc1c(O)cccc1C[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000426369425 1122777037 /nfs/dbraw/zinc/77/70/37/1122777037.db2.gz FEDBSLRUBRVHCZ-QINSGFPZSA-N 0 1 297.398 3.936 20 0 CHADMN COc1c(O)cccc1CN(C)C/C(C)=C\c1ccccc1 ZINC000426369425 1122777039 /nfs/dbraw/zinc/77/70/39/1122777039.db2.gz FEDBSLRUBRVHCZ-QINSGFPZSA-N 0 1 297.398 3.936 20 0 CHADMN CN(Cc1cc2ccccc2nc1N1CCCCC1)C1CC1 ZINC000153796563 1129077498 /nfs/dbraw/zinc/07/74/98/1129077498.db2.gz IRZOJBGGJJIHCO-UHFFFAOYSA-N 0 1 295.430 3.819 20 0 CHADMN Cc1noc(C)c1CN[C@H]1C[C@@H](C)c2ccccc21 ZINC000289102598 1129077637 /nfs/dbraw/zinc/07/76/37/1129077637.db2.gz CGGMZFGGIAVPHX-HWPZZCPQSA-N 0 1 256.349 3.630 20 0 CHADMN Cc1nc2ccc(CN(C)Cc3cccn3C)cc2s1 ZINC000426410395 1122788023 /nfs/dbraw/zinc/78/80/23/1122788023.db2.gz MADYAZMTEVDJDD-UHFFFAOYSA-N 0 1 285.416 3.575 20 0 CHADMN C[C@@H](NCCc1ccccn1)c1ncc(-c2ccccc2)o1 ZINC000439557748 1122791989 /nfs/dbraw/zinc/79/19/89/1122791989.db2.gz OHCJOBHUARJTNV-CQSZACIVSA-N 0 1 293.370 3.630 20 0 CHADMN Fc1ccc([C@H]2CCCN2Cc2cccc3c2OCO3)cc1 ZINC000506631508 1122793822 /nfs/dbraw/zinc/79/38/22/1122793822.db2.gz PSWKHVDBXDKFHV-MRXNPFEDSA-N 0 1 299.345 3.892 20 0 CHADMN CCOc1ccccc1[C@H](CC)N[C@H](C)c1cn[nH]c1 ZINC000297537868 1122797251 /nfs/dbraw/zinc/79/72/51/1122797251.db2.gz DWZZWCQSRCMIBD-DOMZBBRYSA-N 0 1 273.380 3.610 20 0 CHADMN Brc1cc(CN2CC[C@@H]3CCC[C@H]32)cs1 ZINC000426464316 1122797931 /nfs/dbraw/zinc/79/79/31/1122797931.db2.gz WKLMIHOUYUDMPS-WDEREUQCSA-N 0 1 286.238 3.885 20 0 CHADMN Cc1cc2nc(CCc3ccncc3)[nH]c2cc1Cl ZINC001250599099 1122798734 /nfs/dbraw/zinc/79/87/34/1122798734.db2.gz BYYOWQPZFWESBK-UHFFFAOYSA-N 0 1 271.751 3.705 20 0 CHADMN CCCCc1nc(CN2CC[C@H]3CCC[C@@H]32)cs1 ZINC000426467193 1122800377 /nfs/dbraw/zinc/80/03/77/1122800377.db2.gz BLLDRCFKWRDWTG-OCCSQVGLSA-N 0 1 264.438 3.860 20 0 CHADMN CC(C)(C)c1csc(CN2CC[C@H]3CCC[C@H]32)n1 ZINC000426475711 1122801306 /nfs/dbraw/zinc/80/13/06/1122801306.db2.gz ZGZLYYJCXDLRMP-VXGBXAGGSA-N 0 1 264.438 3.815 20 0 CHADMN Cc1cc(NC(=O)c2cn[nH]c2C(C)C)ccc1Cl ZINC000633591068 1129078778 /nfs/dbraw/zinc/07/87/78/1129078778.db2.gz AAUFGSAPRFJODS-UHFFFAOYSA-N 0 1 277.755 3.747 20 0 CHADMN c1coc(-c2nc(CN3CC[C@H]4CCC[C@@H]43)cs2)c1 ZINC000426491954 1122804976 /nfs/dbraw/zinc/80/49/76/1122804976.db2.gz LRNBTKBZFPZDBR-YPMHNXCESA-N 0 1 274.389 3.778 20 0 CHADMN Fc1cc(CN2CC[C@@H]3CCC[C@H]32)ccc1Br ZINC000426520108 1122812668 /nfs/dbraw/zinc/81/26/68/1122812668.db2.gz DRRAOXAUTFLTQO-SMDDNHRTSA-N 0 1 298.199 3.963 20 0 CHADMN Cc1ccc(CN2CCC(Oc3cccc(C)c3)CC2)o1 ZINC001203297757 1122812726 /nfs/dbraw/zinc/81/27/26/1122812726.db2.gz YBGDBSOTMYPCCN-UHFFFAOYSA-N 0 1 285.387 3.940 20 0 CHADMN Fc1cc(CN2CC[C@@H]3CCC[C@@H]32)ccc1Br ZINC000426520104 1122813215 /nfs/dbraw/zinc/81/32/15/1122813215.db2.gz DRRAOXAUTFLTQO-FZMZJTMJSA-N 0 1 298.199 3.963 20 0 CHADMN CSc1ccc2nc(Cc3cccs3)[nH]c2c1 ZINC001250604725 1122815371 /nfs/dbraw/zinc/81/53/71/1122815371.db2.gz NJJSJBZLQRKPBK-UHFFFAOYSA-N 0 1 260.387 3.937 20 0 CHADMN CN(Cc1cnc(C(C)(C)C)s1)[C@@H]1CC1(C)C ZINC000426551601 1122819414 /nfs/dbraw/zinc/81/94/14/1122819414.db2.gz ZWOMCDWMJZAKSO-LLVKDONJSA-N 0 1 252.427 3.671 20 0 CHADMN Cc1ccc(-c2ncc(CN(C)[C@H]3CC3(C)C)s2)o1 ZINC000426571085 1122825624 /nfs/dbraw/zinc/82/56/24/1122825624.db2.gz RMOJBJQTWFABKU-ZDUSSCGKSA-N 0 1 276.405 3.942 20 0 CHADMN C[C@@H]1[C@@H](CO)CCCN1Cc1cccc(Cl)c1Cl ZINC001195047839 1122834704 /nfs/dbraw/zinc/83/47/04/1122834704.db2.gz WBFMYLKYOQRXFE-ZYHUDNBSSA-N 0 1 288.218 3.586 20 0 CHADMN Cc1cc(CN2CCC[C@]3(CCCc4ccccc43)C2)no1 ZINC000440322534 1122838010 /nfs/dbraw/zinc/83/80/10/1122838010.db2.gz DYFPHNOWXUGQBS-LJQANCHMSA-N 0 1 296.414 3.853 20 0 CHADMN CSC1(CN2CCO[C@H](c3ccccc3C)C2)CCC1 ZINC000519490212 1122842110 /nfs/dbraw/zinc/84/21/10/1122842110.db2.gz RVBFTYGVUYCYPU-INIZCTEOSA-N 0 1 291.460 3.654 20 0 CHADMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1ocnc1C ZINC000894420491 1122850613 /nfs/dbraw/zinc/85/06/13/1122850613.db2.gz NNGHNWXXKZKBMH-IAQYHMDHSA-N 0 1 294.782 3.502 20 0 CHADMN COCc1c(C)cc(C)c(CN(C)Cc2cccnc2)c1C ZINC000894420988 1122850643 /nfs/dbraw/zinc/85/06/43/1122850643.db2.gz BLRJFSBTVIKVQG-UHFFFAOYSA-N 0 1 298.430 3.785 20 0 CHADMN COc1cccc([C@@H]2C[C@H](C)CN2Cc2[nH]nc(C)c2C)c1 ZINC000894446647 1122853300 /nfs/dbraw/zinc/85/33/00/1122853300.db2.gz XLOIUMXYOIGJSO-SGTLLEGYSA-N 0 1 299.418 3.618 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@H]1c1ccncc1 ZINC000894450143 1122854432 /nfs/dbraw/zinc/85/44/32/1122854432.db2.gz SILMNQXAEASXPM-SFHVURJKSA-N 0 1 298.434 3.813 20 0 CHADMN Cc1ccc(C(C)(C)NCc2nccc3ccccc32)cn1 ZINC000894463723 1122857292 /nfs/dbraw/zinc/85/72/92/1122857292.db2.gz CTSZJDPFSSVGBY-UHFFFAOYSA-N 0 1 291.398 3.963 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CN1CCCc2occc2C1 ZINC000894526449 1122868372 /nfs/dbraw/zinc/86/83/72/1122868372.db2.gz DVNYLOIVIMHHDK-UHFFFAOYSA-N 0 1 287.407 3.622 20 0 CHADMN CN(C)c1cccc(CN2CC(C)(C)[C@@H]2c2ccncc2)c1 ZINC000664828835 1122872206 /nfs/dbraw/zinc/87/22/06/1122872206.db2.gz IHTXVMMTSGDZCM-SFHVURJKSA-N 0 1 295.430 3.731 20 0 CHADMN COCCCC[C@H](NCc1ocnc1C)c1ccccc1 ZINC000894601263 1122877964 /nfs/dbraw/zinc/87/79/64/1122877964.db2.gz AOKRESNYTVUWIS-INIZCTEOSA-N 0 1 288.391 3.631 20 0 CHADMN C[C@@H](CF)NCc1sccc1NC(=O)OC(C)(C)C ZINC000894600357 1122878615 /nfs/dbraw/zinc/87/86/15/1122878615.db2.gz FYQBVHHVLQLYTM-VIFPVBQESA-N 0 1 288.388 3.543 20 0 CHADMN CSC[C@@H]1CCCN(Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000894599592 1122879605 /nfs/dbraw/zinc/87/96/05/1122879605.db2.gz ZABFSRHTJWWKGZ-SNVBAGLBSA-N 0 1 299.871 3.516 20 0 CHADMN CC1(C)CN(CCCOc2ccccc2)[C@H]1c1ccncc1 ZINC000664835132 1122882743 /nfs/dbraw/zinc/88/27/43/1122882743.db2.gz YYZYESOPIQOILU-SFHVURJKSA-N 0 1 296.414 3.934 20 0 CHADMN FC(F)COc1ccccc1CN1CCC(F)(F)CC1 ZINC000894630116 1122883854 /nfs/dbraw/zinc/88/38/54/1122883854.db2.gz PNKYERIMEMRROT-UHFFFAOYSA-N 0 1 291.288 3.562 20 0 CHADMN Fc1cccc(/C=C\CN2CCC(F)(F)CC2)c1 ZINC000894628770 1122883860 /nfs/dbraw/zinc/88/38/60/1122883860.db2.gz HOHLFDDKVJQLSW-RQOWECAXSA-N 0 1 255.283 3.570 20 0 CHADMN C[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC001195798500 1122888682 /nfs/dbraw/zinc/88/86/82/1122888682.db2.gz OTMNHFXBGWENCT-ZIAGYGMSSA-N 0 1 277.383 3.920 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1C[C@@H](C)OC2(CCCC2)C1 ZINC001195798500 1122888687 /nfs/dbraw/zinc/88/86/87/1122888687.db2.gz OTMNHFXBGWENCT-ZIAGYGMSSA-N 0 1 277.383 3.920 20 0 CHADMN C[C@H]1CCC[N@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000154166177 1129084504 /nfs/dbraw/zinc/08/45/04/1129084504.db2.gz PLGKKGJVVLCATN-LBPRGKRZSA-N 0 1 258.390 3.794 20 0 CHADMN C[C@H]1CCCN1Cc1ncc(-c2ccccc2)s1 ZINC000154166177 1129084507 /nfs/dbraw/zinc/08/45/07/1129084507.db2.gz PLGKKGJVVLCATN-LBPRGKRZSA-N 0 1 258.390 3.794 20 0 CHADMN Cc1cccc(OCCN2CC(C)(C)[C@H]2c2ccncc2)c1 ZINC000664836926 1122890221 /nfs/dbraw/zinc/89/02/21/1122890221.db2.gz LNJLPFKRCXIUPX-GOSISDBHSA-N 0 1 296.414 3.852 20 0 CHADMN Fc1ccnc(N=C2CCC(C(F)(F)F)CC2)c1 ZINC001195835072 1122892256 /nfs/dbraw/zinc/89/22/56/1122892256.db2.gz NIDZROXHZPARAE-MRVPVSSYSA-N 0 1 260.234 3.879 20 0 CHADMN CCOc1cc(F)c(CN(C)CC2CCC2)c(F)c1 ZINC001143574725 1122893239 /nfs/dbraw/zinc/89/32/39/1122893239.db2.gz IJIOHJUYFJGFRH-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN Fc1ncccc1N=C1CCC(C(F)(F)F)CC1 ZINC001195835905 1122893353 /nfs/dbraw/zinc/89/33/53/1122893353.db2.gz TVRKOXDJGDBQOS-MRVPVSSYSA-N 0 1 260.234 3.879 20 0 CHADMN Fc1ccccc1C[C@H]1CCCC[N@H+]1C/C=C/Cl ZINC001195874301 1122894860 /nfs/dbraw/zinc/89/48/60/1122894860.db2.gz SIICZYMCFISAKJ-VZUFXWRPSA-N 0 1 267.775 3.975 20 0 CHADMN Fc1ccccc1C[C@H]1CCCCN1C/C=C/Cl ZINC001195874301 1122894867 /nfs/dbraw/zinc/89/48/67/1122894867.db2.gz SIICZYMCFISAKJ-VZUFXWRPSA-N 0 1 267.775 3.975 20 0 CHADMN C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccc(O)c(F)c1 ZINC000894706030 1122896412 /nfs/dbraw/zinc/89/64/12/1122896412.db2.gz CNLMMJZFLSIBAC-KOLCDFICSA-N 0 1 291.288 3.694 20 0 CHADMN C(c1nc2c(s1)CCC2)N1CCC2(CCCC2)CC1 ZINC000775677786 1122901075 /nfs/dbraw/zinc/90/10/75/1122901075.db2.gz PSKVHDFTBKCRBN-UHFFFAOYSA-N 0 1 276.449 3.788 20 0 CHADMN Cc1nc(CN2CCC[C@](C)(c3ccccc3)C2)co1 ZINC000647963805 1122905565 /nfs/dbraw/zinc/90/55/65/1122905565.db2.gz BQZSJZJLSWFTSF-KRWDZBQOSA-N 0 1 270.376 3.537 20 0 CHADMN Clc1nccc2cc(CN3CC(C4CC4)C3)sc21 ZINC000894812122 1122908516 /nfs/dbraw/zinc/90/85/16/1122908516.db2.gz CVSCNLMLTQAAGX-UHFFFAOYSA-N 0 1 278.808 3.792 20 0 CHADMN COc1ccc2c(c1)CCN([C@@H]1CCc3c1cccc3F)C2 ZINC001196168810 1122909830 /nfs/dbraw/zinc/90/98/30/1122909830.db2.gz XLTJJZGAOFXODJ-LJQANCHMSA-N 0 1 297.373 3.880 20 0 CHADMN CCCn1c(C)nnc1CN(C1CC1)C1CCC(C)CC1 ZINC000154283359 1129086343 /nfs/dbraw/zinc/08/63/43/1129086343.db2.gz STGZIXNXVTVQNU-UHFFFAOYSA-N 0 1 290.455 3.540 20 0 CHADMN CC[C@H]1CC[C@H](C(=O)Nc2ncc(C(F)(F)F)[nH]2)CC1 ZINC000506917488 1122912266 /nfs/dbraw/zinc/91/22/66/1122912266.db2.gz NRQJWFKJWMZQLB-KYZUINATSA-N 0 1 289.301 3.583 20 0 CHADMN CCC[C@H](C)CCCN1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC001196274544 1122915741 /nfs/dbraw/zinc/91/57/41/1122915741.db2.gz HVZLJHVBZQAISZ-YDHLFZDLSA-N 0 1 277.399 3.947 20 0 CHADMN CC[C@H]1CCCC[C@@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000507021370 1122919806 /nfs/dbraw/zinc/91/98/06/1122919806.db2.gz JKVKTVOCMBXTQQ-IUCAKERBSA-N 0 1 289.301 3.583 20 0 CHADMN CC[C@H]1CN(Cc2ccc(C3CCC3)cc2)CCO1 ZINC000507103049 1122924585 /nfs/dbraw/zinc/92/45/85/1122924585.db2.gz NACQOUDFZZTCQW-KRWDZBQOSA-N 0 1 259.393 3.565 20 0 CHADMN C/C=C\C[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC001196612257 1122927547 /nfs/dbraw/zinc/92/75/47/1122927547.db2.gz BRDZSPVGQMNGLQ-SFAKSCPVSA-N 0 1 269.392 3.741 20 0 CHADMN CCn1nc(C)c(CN(C)Cc2cc(C)sc2C)c1C ZINC001196693553 1122929381 /nfs/dbraw/zinc/92/93/81/1122929381.db2.gz OEYUTUKLHKMJQF-UHFFFAOYSA-N 0 1 291.464 3.830 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2nc(C)ccc2O)c1 ZINC000507136320 1122930961 /nfs/dbraw/zinc/93/09/61/1122930961.db2.gz YRRFCZNKUZDWNA-KRWDZBQOSA-N 0 1 282.387 3.741 20 0 CHADMN FC(F)(F)[C@H]1CC=C(Nc2cnc3ccccn23)CC1 ZINC001196769163 1122931343 /nfs/dbraw/zinc/93/13/43/1122931343.db2.gz YOZMNJJLOOHWRN-JTQLQIEISA-N 0 1 281.281 3.993 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1cncs1 ZINC000507172787 1122935499 /nfs/dbraw/zinc/93/54/99/1122935499.db2.gz IHLKKYCMHCWUMR-MRXNPFEDSA-N 0 1 288.416 3.661 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1cc(Cl)n(C)n1)C1CCCCC1 ZINC001196819328 1122935655 /nfs/dbraw/zinc/93/56/55/1122935655.db2.gz SLSZEEVJSDTYQF-GFCCVEGCSA-N 0 1 283.847 3.722 20 0 CHADMN C[C@H](CN(C)Cc1cc(Cl)n(C)n1)C1CCCCC1 ZINC001196819328 1122935656 /nfs/dbraw/zinc/93/56/56/1122935656.db2.gz SLSZEEVJSDTYQF-GFCCVEGCSA-N 0 1 283.847 3.722 20 0 CHADMN Cc1cc(-c2nc3ccc(F)c(C)c3[nH]2)cnc1F ZINC001251054309 1122936575 /nfs/dbraw/zinc/93/65/75/1122936575.db2.gz LEDJMOJSLQIQFM-UHFFFAOYSA-N 0 1 259.259 3.520 20 0 CHADMN Cc1[nH]nc2ncc(C[N@H+](C)[C@H](C)c3ccc(C)cc3)cc12 ZINC000507190561 1122937259 /nfs/dbraw/zinc/93/72/59/1122937259.db2.gz DMENQCNQIFPZKF-CQSZACIVSA-N 0 1 294.402 3.768 20 0 CHADMN C[C@H]1CCC[C@H]([N@@H+](C)Cc2c(F)ccc(O)c2F)C1 ZINC000507190040 1122937867 /nfs/dbraw/zinc/93/78/67/1122937867.db2.gz YAQOQORWWBOOGH-QWRGUYRKSA-N 0 1 269.335 3.681 20 0 CHADMN Oc1c(Cl)cccc1NC(=S)Nc1ccc(F)cc1 ZINC001196942287 1122939827 /nfs/dbraw/zinc/93/98/27/1122939827.db2.gz YJVWCTBVGDPPHR-UHFFFAOYSA-N 0 1 296.754 3.994 20 0 CHADMN CC[N@@H+](Cc1cc(C)ccc1OC(F)F)C1CC1 ZINC000507223120 1122940228 /nfs/dbraw/zinc/94/02/28/1122940228.db2.gz YDLAVOJJZTVKIW-UHFFFAOYSA-N 0 1 255.308 3.581 20 0 CHADMN c1ncn2ccc(-c3noc([C@@H]4CCCC5(CC5)C4)n3)cc12 ZINC000664862786 1122940559 /nfs/dbraw/zinc/94/05/59/1122940559.db2.gz OOLAQBUMQLRQLG-CYBMUJFWSA-N 0 1 294.358 3.822 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)N(C)Cc1ccnn1CC ZINC000507251985 1122942926 /nfs/dbraw/zinc/94/29/26/1122942926.db2.gz LDIIFQVUHILBRI-INIZCTEOSA-N 0 1 275.371 3.625 20 0 CHADMN Cc1nc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)c(C)s1 ZINC001197185269 1122946084 /nfs/dbraw/zinc/94/60/84/1122946084.db2.gz MOMRAHQXYKPBTH-GHMZBOCLSA-N 0 1 290.354 3.747 20 0 CHADMN CCCN(Cc1c(F)ccc(O)c1F)CC(C)C ZINC000507313642 1122946665 /nfs/dbraw/zinc/94/66/65/1122946665.db2.gz XUUXXILDJUPWAH-UHFFFAOYSA-N 0 1 257.324 3.538 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccc(C)s1 ZINC000507519617 1122962919 /nfs/dbraw/zinc/96/29/19/1122962919.db2.gz JJMDMRMRZBLWLC-LBPRGKRZSA-N 0 1 260.406 3.865 20 0 CHADMN CC1(C)CN(Cc2ccc(C3CCC3)cc2)CCO1 ZINC000507549945 1122964353 /nfs/dbraw/zinc/96/43/53/1122964353.db2.gz KKBLHOUMIKKWKV-UHFFFAOYSA-N 0 1 259.393 3.565 20 0 CHADMN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cnc[nH]1 ZINC000334203514 1122970619 /nfs/dbraw/zinc/97/06/19/1122970619.db2.gz UEOYMDFRTUXAAJ-MRVPVSSYSA-N 0 1 298.173 3.550 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cnc[nH]1 ZINC000334203515 1122971147 /nfs/dbraw/zinc/97/11/47/1122971147.db2.gz UEOYMDFRTUXAAJ-QMMMGPOBSA-N 0 1 298.173 3.550 20 0 CHADMN COc1cc2nc(-c3cnc(Cl)c(F)c3)[nH]c2cc1F ZINC001251593698 1122971724 /nfs/dbraw/zinc/97/17/24/1122971724.db2.gz BMTMQQTVWOHZGB-UHFFFAOYSA-N 0 1 295.676 3.565 20 0 CHADMN COC1(C)CCN([C@@H](C)c2cc(F)ccc2F)CC1 ZINC000334259455 1122975348 /nfs/dbraw/zinc/97/53/48/1122975348.db2.gz UKMLOMSAIKTKBJ-NSHDSACASA-N 0 1 269.335 3.527 20 0 CHADMN C[C@@H](c1cccnc1)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000183724831 1129090691 /nfs/dbraw/zinc/09/06/91/1129090691.db2.gz AWVOCASNCLFVNH-NSHDSACASA-N 0 1 276.767 3.634 20 0 CHADMN C[C@@H](c1cccnc1)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000183724831 1129090695 /nfs/dbraw/zinc/09/06/95/1129090695.db2.gz AWVOCASNCLFVNH-NSHDSACASA-N 0 1 276.767 3.634 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccc(F)cc21)c1ccncc1F ZINC000334276232 1122980029 /nfs/dbraw/zinc/98/00/29/1122980029.db2.gz RUUXVIWIMUJLHD-MGPLVRAMSA-N 0 1 274.314 3.698 20 0 CHADMN c1cc(C2CCC2)ccc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000507660626 1122984054 /nfs/dbraw/zinc/98/40/54/1122984054.db2.gz OOTTYZDMUMPFEA-ZWKOTPCHSA-N 0 1 271.404 3.707 20 0 CHADMN Cc1[nH]nc(CN2CC3(CCC3)[C@@H]2c2ccccc2)c1C ZINC000894855815 1122984079 /nfs/dbraw/zinc/98/40/79/1122984079.db2.gz SAFDBWVJWINOHF-KRWDZBQOSA-N 0 1 281.403 3.754 20 0 CHADMN CSCC1CCN(Cc2sccc2Cl)CC1 ZINC001198337723 1122988135 /nfs/dbraw/zinc/98/81/35/1122988135.db2.gz VWJRKVACCKEVEO-UHFFFAOYSA-N 0 1 275.870 3.977 20 0 CHADMN CC(C)c1ccc(CN2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000507706467 1122989339 /nfs/dbraw/zinc/98/93/39/1122989339.db2.gz XAZCUVDMXRKZPW-IAGOWNOFSA-N 0 1 259.393 3.563 20 0 CHADMN CCO[C@H]1CCN([C@H](C)c2ccc(Br)cc2)C1 ZINC001198354614 1122989909 /nfs/dbraw/zinc/98/99/09/1122989909.db2.gz MFUUARXWEQTWOZ-RISCZKNCSA-N 0 1 298.224 3.621 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(Cl)c(C)c1 ZINC000334343310 1122991002 /nfs/dbraw/zinc/99/10/02/1122991002.db2.gz LWUXZXDWKBHOGB-UHFFFAOYSA-N 0 1 299.708 3.870 20 0 CHADMN C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@H](C)C1 ZINC000334345434 1122991268 /nfs/dbraw/zinc/99/12/68/1122991268.db2.gz OWFVCDMLGNOEGO-WDEREUQCSA-N 0 1 291.395 3.747 20 0 CHADMN C[C@H](c1nnc(-c2ccccc2F)s1)N1CC[C@H](C)C1 ZINC000334345434 1122991271 /nfs/dbraw/zinc/99/12/71/1122991271.db2.gz OWFVCDMLGNOEGO-WDEREUQCSA-N 0 1 291.395 3.747 20 0 CHADMN Cc1nnc(CN2CCC[C@@H](c3ccccc3)CC2)s1 ZINC000334427118 1123009667 /nfs/dbraw/zinc/00/96/67/1123009667.db2.gz WQXLCAIKUAXYRS-OAHLLOKOSA-N 0 1 287.432 3.616 20 0 CHADMN O=C(Nc1nc(C2CCC2)cs1)c1cc2cccnc2[nH]1 ZINC000519631270 1123011409 /nfs/dbraw/zinc/01/14/09/1123011409.db2.gz OPWFSWLKECJHOE-UHFFFAOYSA-N 0 1 298.371 3.539 20 0 CHADMN Fc1cccnc1CN[C@@H]1CCCCc2ccccc21 ZINC000154874726 1129093157 /nfs/dbraw/zinc/09/31/57/1129093157.db2.gz JOIZTEYMKWWCRW-MRXNPFEDSA-N 0 1 270.351 3.778 20 0 CHADMN CC[C@@H](C)N(C)CC(=O)Nc1ccc2ccccc2c1 ZINC000104687620 1123012378 /nfs/dbraw/zinc/01/23/78/1123012378.db2.gz LJJVUZFEJSUWTG-CYBMUJFWSA-N 0 1 270.376 3.509 20 0 CHADMN Cc1oc(C[N@H+](C)CC[C@@H]2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000519642378 1123012728 /nfs/dbraw/zinc/01/27/28/1123012728.db2.gz KMXUIAJJIIOFGR-JSGCOSHPSA-N 0 1 293.407 3.934 20 0 CHADMN c1ccc(CN(Cc2ccnc3ccccc23)C2CC2)nc1 ZINC000519667294 1123015175 /nfs/dbraw/zinc/01/51/75/1123015175.db2.gz BSWQMTCGFBOWNN-UHFFFAOYSA-N 0 1 289.382 3.794 20 0 CHADMN CC(C)Oc1c(F)c(F)ccc1-c1cncc2nc[nH]c21 ZINC001205855491 1123017433 /nfs/dbraw/zinc/01/74/33/1123017433.db2.gz SDCHEJNOFLVQNZ-UHFFFAOYSA-N 0 1 289.285 3.690 20 0 CHADMN CCN(Cc1c(C)nn(C)c1C)[C@H](C)c1ccc(F)cc1 ZINC000154908694 1129093802 /nfs/dbraw/zinc/09/38/02/1129093802.db2.gz YYIFAJLEKZXZJK-CYBMUJFWSA-N 0 1 289.398 3.759 20 0 CHADMN CCN(Cc1n[nH]c(C2CC2)n1)c1ccc(Cl)cc1F ZINC000440637398 1123024434 /nfs/dbraw/zinc/02/44/34/1123024434.db2.gz MBNBEOYXMGEUBY-UHFFFAOYSA-N 0 1 294.761 3.501 20 0 CHADMN CC[C@H](F)CN1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000440688903 1123028139 /nfs/dbraw/zinc/02/81/39/1123028139.db2.gz AIRRZMVWUSWCKK-KBPBESRZSA-N 0 1 281.371 3.589 20 0 CHADMN Cc1cc(F)c(CNCCO[C@@H]2CCCC[C@@H]2C)c(F)c1 ZINC001199277262 1123028185 /nfs/dbraw/zinc/02/81/85/1123028185.db2.gz YQQYAEBIKFHCKE-SUMWQHHRSA-N 0 1 297.389 3.958 20 0 CHADMN CC[C@@H](F)CN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000440701697 1123031149 /nfs/dbraw/zinc/03/11/49/1123031149.db2.gz LSKAMCNASXWIOG-MRXNPFEDSA-N 0 1 298.833 3.596 20 0 CHADMN CC[C@@H](F)CN1CCC[C@H]1c1cc(OC)ccc1OC ZINC000440703874 1123031536 /nfs/dbraw/zinc/03/15/36/1123031536.db2.gz JTIBSNHMHGXUIY-DOMZBBRYSA-N 0 1 281.371 3.589 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CC[C@H]3C(C)C)n[nH]2)cc1C ZINC000440738240 1123035064 /nfs/dbraw/zinc/03/50/64/1123035064.db2.gz PONVULUMVXJFDM-KRWDZBQOSA-N 0 1 297.402 3.564 20 0 CHADMN CC(C)CCOCCN([C@@H](C)c1ccco1)C1CC1 ZINC000440903513 1123046405 /nfs/dbraw/zinc/04/64/05/1123046405.db2.gz ALBAUZUOVLLCHR-AWEZNQCLSA-N 0 1 265.397 3.868 20 0 CHADMN Cc1ccsc1[C@@H](C)NCc1nccn1CC(C)C ZINC000164796972 1123052900 /nfs/dbraw/zinc/05/29/00/1123052900.db2.gz VKXTYDRFPPFIFX-CYBMUJFWSA-N 0 1 277.437 3.760 20 0 CHADMN COc1cccc([C@H](C)N2CCc3ccc(F)cc3C2)c1 ZINC000441029899 1123053598 /nfs/dbraw/zinc/05/35/98/1123053598.db2.gz NFAKZPYJIYYOLF-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1nnc(-c2ccccc2)s1 ZINC000155215783 1129100557 /nfs/dbraw/zinc/10/05/57/1129100557.db2.gz CXDABXPONJAAJL-STQMWFEESA-N 0 1 287.432 3.968 20 0 CHADMN c1ccc(C[C@@H]2CCN(Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000155095948 1129096949 /nfs/dbraw/zinc/09/69/49/1129096949.db2.gz BQLVHNPDSFBKHJ-INIZCTEOSA-N 0 1 291.398 3.628 20 0 CHADMN Fc1ccc(C[N@@H+](CC2CCC2)C2CC2)c(F)c1 ZINC000441237093 1123069021 /nfs/dbraw/zinc/06/90/21/1123069021.db2.gz VZKRNNORWHTLKT-UHFFFAOYSA-N 0 1 251.320 3.729 20 0 CHADMN CSc1ccc(OCC[N@@H+](C)Cc2ccoc2)cc1 ZINC000441237532 1123069294 /nfs/dbraw/zinc/06/92/94/1123069294.db2.gz WOFIJBJTGUMLSU-UHFFFAOYSA-N 0 1 277.389 3.512 20 0 CHADMN CSc1ccc(OCCN(C)Cc2ccoc2)cc1 ZINC000441237532 1123069298 /nfs/dbraw/zinc/06/92/98/1123069298.db2.gz WOFIJBJTGUMLSU-UHFFFAOYSA-N 0 1 277.389 3.512 20 0 CHADMN c1[nH]nc2c1CCC[C@@H]2NCc1cccc(CC2CCC2)c1 ZINC001201025794 1123070581 /nfs/dbraw/zinc/07/05/81/1123070581.db2.gz IBSPGYXNWZGSRD-SFHVURJKSA-N 0 1 295.430 3.920 20 0 CHADMN Cc1ccc(CN(Cc2ccco2)CC2(C)COC2)s1 ZINC000441256925 1123072305 /nfs/dbraw/zinc/07/23/05/1123072305.db2.gz BAIJKDJFLHEYSM-UHFFFAOYSA-N 0 1 291.416 3.688 20 0 CHADMN CCN(C(=O)CN(C)C1CCC1)c1cccc2ccccc21 ZINC000441329808 1123078707 /nfs/dbraw/zinc/07/87/07/1123078707.db2.gz KJQAICVTNWRKMY-UHFFFAOYSA-N 0 1 296.414 3.677 20 0 CHADMN CC(C)(C)OC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC000082714612 1123081500 /nfs/dbraw/zinc/08/15/00/1123081500.db2.gz CJTVPPWCDHELBZ-UHFFFAOYSA-N 0 1 299.374 3.850 20 0 CHADMN CN1Cc2ccc(NCc3nc4cc(F)ccc4o3)cc2C1 ZINC001201256634 1123083869 /nfs/dbraw/zinc/08/38/69/1123083869.db2.gz FNTLCDFCNWHUFS-UHFFFAOYSA-N 0 1 297.333 3.524 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000579248564 1123084066 /nfs/dbraw/zinc/08/40/66/1123084066.db2.gz OIYNSSUUAAZAOD-DLBZAZTESA-N 0 1 289.419 3.585 20 0 CHADMN CCc1cc(CN[C@@H](C)c2cc3cccc(OC)c3o2)n[nH]1 ZINC000776157181 1123088717 /nfs/dbraw/zinc/08/87/17/1123088717.db2.gz OOIGUWNRRJGITF-NSHDSACASA-N 0 1 299.374 3.578 20 0 CHADMN CCc1cc(CN[C@@H](C)c2cc3cccc(OC)c3o2)[nH]n1 ZINC000776157181 1123088722 /nfs/dbraw/zinc/08/87/22/1123088722.db2.gz OOIGUWNRRJGITF-NSHDSACASA-N 0 1 299.374 3.578 20 0 CHADMN CC(C)c1c(Cl)ncnc1NC1=CCSCC1 ZINC001201334272 1123089189 /nfs/dbraw/zinc/08/91/89/1123089189.db2.gz QGQKQPODLDMRJM-UHFFFAOYSA-N 0 1 269.801 3.686 20 0 CHADMN CCOC(=O)c1c(F)cc(F)cc1N=C1CCSCC1 ZINC001201346695 1123091089 /nfs/dbraw/zinc/09/10/89/1123091089.db2.gz FHFCFTNTANVSLG-UHFFFAOYSA-N 0 1 299.342 3.574 20 0 CHADMN Cc1[nH]nc(CN2CCC[C@@H]2c2ccc(F)cc2F)c1C ZINC000894940832 1123091277 /nfs/dbraw/zinc/09/12/77/1123091277.db2.gz JXDZCXQHRKDJJR-MRXNPFEDSA-N 0 1 291.345 3.642 20 0 CHADMN CC(C)Oc1cc(Nc2ccncc2)ccc1Cl ZINC001201376730 1123094945 /nfs/dbraw/zinc/09/49/45/1123094945.db2.gz UKPWDBGJQVVVEN-UHFFFAOYSA-N 0 1 262.740 3.688 20 0 CHADMN c1csc(CNCCCOc2ccc3ccccc3c2)n1 ZINC001201387833 1123095903 /nfs/dbraw/zinc/09/59/03/1123095903.db2.gz CMBNMCQLHKLSJO-UHFFFAOYSA-N 0 1 298.411 3.855 20 0 CHADMN Cc1cc(F)ncc1CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000894974643 1123096090 /nfs/dbraw/zinc/09/60/90/1123096090.db2.gz IFEHYKWXWGJASK-NSHDSACASA-N 0 1 290.304 3.694 20 0 CHADMN FC1(CN[C@H]2CCCc3sc(Cl)cc32)CC1 ZINC000309507230 1123096174 /nfs/dbraw/zinc/09/61/74/1123096174.db2.gz NRIYOJYIZHVQSX-VIFPVBQESA-N 0 1 259.777 3.871 20 0 CHADMN FC(F)(F)c1n[nH]c2c1CCN(C[C@@H]1CC=CCC1)C2 ZINC001201426340 1123100195 /nfs/dbraw/zinc/10/01/95/1123100195.db2.gz DEMGJKGMBCYFHP-MFKMUULPSA-N 0 1 285.313 3.699 20 0 CHADMN CC(C)=CCC[C@@H](C)CN1CC2(C1)CCCCO2 ZINC001201488505 1123107929 /nfs/dbraw/zinc/10/79/29/1123107929.db2.gz YJRNOPFMNKGRAK-OAHLLOKOSA-N 0 1 251.414 3.624 20 0 CHADMN CC(C)=CCC[C@H](C)CN1CCO[C@@H](c2ccncc2)C1 ZINC001201496740 1123110796 /nfs/dbraw/zinc/11/07/96/1123110796.db2.gz QDPCMYJZNGHDOG-FUHWJXTLSA-N 0 1 288.435 3.837 20 0 CHADMN C[C@H]1CCCC[C@H]1OCCN(C)Cc1ccc(F)c(F)c1 ZINC000058576904 1123112250 /nfs/dbraw/zinc/11/22/50/1123112250.db2.gz LHTHRZZFGJXRID-SUMWQHHRSA-N 0 1 297.389 3.992 20 0 CHADMN Cc1cccc2nc(CNC(=O)C[C@@H](C)CC(C)C)[nH]c21 ZINC000155162203 1129099713 /nfs/dbraw/zinc/09/97/13/1129099713.db2.gz LFDXSEPVTFIPAC-LBPRGKRZSA-N 0 1 287.407 3.560 20 0 CHADMN Cc1noc(C)c1CCNc1cc(C)nc2ccc(F)cc21 ZINC000125129562 1123119568 /nfs/dbraw/zinc/11/95/68/1123119568.db2.gz MOCBHRXTIRCNHU-UHFFFAOYSA-N 0 1 299.349 3.942 20 0 CHADMN CC(C)[C@H](Oc1cc(N)nc2ccccc21)C(F)(F)F ZINC001226418224 1123121432 /nfs/dbraw/zinc/12/14/32/1123121432.db2.gz JYJCECIUOHHWPO-ZDUSSCGKSA-N 0 1 284.281 3.783 20 0 CHADMN Cc1[nH]c(SCc2ccon2)nc1Cc1ccccc1 ZINC000073968950 1123126515 /nfs/dbraw/zinc/12/65/15/1123126515.db2.gz LGODWVNSMONUIV-UHFFFAOYSA-N 0 1 285.372 3.589 20 0 CHADMN C[C@@H]1CN(CCCOc2ccc(Cl)cc2)CC(C)(C)O1 ZINC000520459492 1123130593 /nfs/dbraw/zinc/13/05/93/1123130593.db2.gz LLLZSOGYEWDTTD-CYBMUJFWSA-N 0 1 297.826 3.608 20 0 CHADMN CC(C)CCN1CC(Oc2cccc(C(F)(F)F)c2)C1 ZINC001201624158 1123132573 /nfs/dbraw/zinc/13/25/73/1123132573.db2.gz ZIHWXNWIHVNBAY-UHFFFAOYSA-N 0 1 287.325 3.815 20 0 CHADMN O=C([O-])CCC[N@H+]1CCC[C@H]1CCC1CCCCC1 ZINC000127842102 1123132672 /nfs/dbraw/zinc/13/26/72/1123132672.db2.gz JEJUCJQUJYUUDA-HNNXBMFYSA-N 0 1 267.413 3.676 20 0 CHADMN O=C([O-])CCC[N@H+]1CCC[C@@H]1CCC1CCCCC1 ZINC000127842364 1123132979 /nfs/dbraw/zinc/13/29/79/1123132979.db2.gz JEJUCJQUJYUUDA-OAHLLOKOSA-N 0 1 267.413 3.676 20 0 CHADMN CCCN1[C@@H](c2ccccc2)CCC[C@H]1C(=O)OCC ZINC001201648356 1123136173 /nfs/dbraw/zinc/13/61/73/1123136173.db2.gz VDEIDYBMFIQGTL-CVEARBPZSA-N 0 1 275.392 3.555 20 0 CHADMN Fc1ccc2c(c1)CN(CCCc1ccccc1)C2 ZINC001201664211 1123137025 /nfs/dbraw/zinc/13/70/25/1123137025.db2.gz WMDGHAAAGBZZEB-UHFFFAOYSA-N 0 1 255.336 3.774 20 0 CHADMN CSCCCN1CCc2cccc(C(F)(F)F)c2C1 ZINC001201695764 1123137033 /nfs/dbraw/zinc/13/70/33/1123137033.db2.gz DUCUCUPCYZKCEE-UHFFFAOYSA-N 0 1 289.366 3.817 20 0 CHADMN CC[C@@H]1CO[C@H](C)C[N@H+]1CCOc1cccc2ccccc21 ZINC000520465891 1123138187 /nfs/dbraw/zinc/13/81/87/1123138187.db2.gz QGRRFULRMXIOSA-NVXWUHKLSA-N 0 1 299.414 3.718 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1CCOc1cccc2ccccc21 ZINC000520465891 1123138188 /nfs/dbraw/zinc/13/81/88/1123138188.db2.gz QGRRFULRMXIOSA-NVXWUHKLSA-N 0 1 299.414 3.718 20 0 CHADMN C[C@@H](NCCCCC(F)(F)F)c1nc(C(C)(C)C)no1 ZINC000155291678 1129101294 /nfs/dbraw/zinc/10/12/94/1129101294.db2.gz PJDQPXZNVFVZSU-SECBINFHSA-N 0 1 293.333 3.750 20 0 CHADMN CCN(Cc1cnc(C)s1)Cc1c[nH]c2ccccc12 ZINC000190500159 1123150068 /nfs/dbraw/zinc/15/00/68/1123150068.db2.gz OYYSQTMDGBCJOV-UHFFFAOYSA-N 0 1 285.416 3.955 20 0 CHADMN CCc1nc(CSc2ncc(C(C)C)n2C(C)C)n[nH]1 ZINC000130889791 1123150372 /nfs/dbraw/zinc/15/03/72/1123150372.db2.gz FHICYDWCGNVRGO-UHFFFAOYSA-N 0 1 293.440 3.560 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3cnn(C(C)C)c32)cc(C)n1 ZINC001201889922 1123156144 /nfs/dbraw/zinc/15/61/44/1123156144.db2.gz UHKKUELGKCJMFK-QGZVFWFLSA-N 0 1 298.434 3.643 20 0 CHADMN CCCOc1ccc(OCCN(C)Cc2ccco2)cc1 ZINC000058829999 1123163668 /nfs/dbraw/zinc/16/36/68/1123163668.db2.gz HZZGUHKYHKLOCN-UHFFFAOYSA-N 0 1 289.375 3.579 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN1CCC(=O)C[C@@H]1C ZINC001201970940 1123164995 /nfs/dbraw/zinc/16/49/95/1123164995.db2.gz BMQLUNCYNXNSKY-CABCVRRESA-N 0 1 251.414 3.812 20 0 CHADMN COc1ccc(F)c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000507775073 1123170498 /nfs/dbraw/zinc/17/04/98/1123170498.db2.gz ZDLSAFKSZCSOJG-WBMJQRKESA-N 0 1 263.356 3.599 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)Nc1c(F)cccc1F ZINC001202042647 1123173704 /nfs/dbraw/zinc/17/37/04/1123173704.db2.gz ZZQWKRUBODZFQE-UHFFFAOYSA-N 0 1 298.676 3.968 20 0 CHADMN C[C@@H](NC1CCSCC1)c1nc(C2CCCCC2)no1 ZINC000191579190 1123176939 /nfs/dbraw/zinc/17/69/39/1123176939.db2.gz FSVBKMUMLZLWNU-LLVKDONJSA-N 0 1 295.452 3.664 20 0 CHADMN CC[C@@H]1C[C@H](C[N@H+]2CCc3c4ccccc4[nH]c3C2)CCO1 ZINC000507780756 1123178301 /nfs/dbraw/zinc/17/83/01/1123178301.db2.gz XICWDOHABOKAEC-HUUCEWRRSA-N 0 1 298.430 3.731 20 0 CHADMN CC[C@@H]1C[C@H](CN2CCc3c4ccccc4[nH]c3C2)CCO1 ZINC000507780756 1123178303 /nfs/dbraw/zinc/17/83/03/1123178303.db2.gz XICWDOHABOKAEC-HUUCEWRRSA-N 0 1 298.430 3.731 20 0 CHADMN Cc1cc(C)c(/C=C\CN[C@H](CCO)c2ccco2)c(C)c1 ZINC001202111310 1123178534 /nfs/dbraw/zinc/17/85/34/1123178534.db2.gz QHLMFBPGKLJOBT-WLPBJKJWSA-N 0 1 299.414 3.931 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000520594187 1123182346 /nfs/dbraw/zinc/18/23/46/1123182346.db2.gz GIVZBFQPFQQGEQ-OAHLLOKOSA-N 0 1 299.370 3.575 20 0 CHADMN FC(F)(F)c1n[nH]c2c1CCN(CC1CCCC1)C2 ZINC001202189964 1123184529 /nfs/dbraw/zinc/18/45/29/1123184529.db2.gz HMVYZXDXPUXVQB-LBPRGKRZSA-N 0 1 273.302 3.533 20 0 CHADMN Cc1cc(-c2ccc3nc[nH]c3c2)ccc1O[C@H]1CCOC1 ZINC000665134942 1123191594 /nfs/dbraw/zinc/19/15/94/1123191594.db2.gz SFGFYQVJMLQPPM-HNNXBMFYSA-N 0 1 294.354 3.706 20 0 CHADMN C[C@H](N[C@@H](C)C1CCSCC1)c1nc(C(C)(C)C)no1 ZINC000192879780 1123192272 /nfs/dbraw/zinc/19/22/72/1123192272.db2.gz NXDLQMQQGCIMNL-QWRGUYRKSA-N 0 1 297.468 3.549 20 0 CHADMN COc1ccc(-c2nc3cccc(C)c3[nH]2)cc1F ZINC000070248949 1123202647 /nfs/dbraw/zinc/20/26/47/1123202647.db2.gz ZLACFHZLHXUXQS-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CCc1noc([C@H](C)N[C@H](C)[C@@H](C)C2CCCCC2)n1 ZINC000185501748 1123229421 /nfs/dbraw/zinc/22/94/21/1123229421.db2.gz LYDHEMGWJFKHBZ-UPJWGTAASA-N 0 1 279.428 3.888 20 0 CHADMN CC(C)c1nc([C@@H](C)[N@H+]2CCC[C@]3(CCOC3)C2)cs1 ZINC000334530542 1123243513 /nfs/dbraw/zinc/24/35/13/1123243513.db2.gz LMXZSHFIXVDLQF-CJNGLKHVSA-N 0 1 294.464 3.830 20 0 CHADMN CC(C)c1nc([C@@H](C)N2CCC[C@]3(CCOC3)C2)cs1 ZINC000334530542 1123243515 /nfs/dbraw/zinc/24/35/15/1123243515.db2.gz LMXZSHFIXVDLQF-CJNGLKHVSA-N 0 1 294.464 3.830 20 0 CHADMN Cc1ccncc1CN[C@@H]1CCCOc2ccc(F)cc21 ZINC000334537145 1123246778 /nfs/dbraw/zinc/24/67/78/1123246778.db2.gz RMTBEPFXXHTQAB-MRXNPFEDSA-N 0 1 286.350 3.533 20 0 CHADMN COCc1csc(CN[C@H](C)c2ccc(Cl)nc2)c1 ZINC000850272513 1123250746 /nfs/dbraw/zinc/25/07/46/1123250746.db2.gz STMWBQVHACTGDL-SNVBAGLBSA-N 0 1 296.823 3.794 20 0 CHADMN COc1ccc(-c2nc(CN[C@H]3C=CCC3)cs2)cc1 ZINC000850358267 1123255473 /nfs/dbraw/zinc/25/54/73/1123255473.db2.gz MLUUJLZSJXPIPW-ZDUSSCGKSA-N 0 1 286.400 3.627 20 0 CHADMN CCc1ccc(C)nc1NCc1ccc(C(C)(C)O)cc1 ZINC000850354891 1123255799 /nfs/dbraw/zinc/25/57/99/1123255799.db2.gz CDVLXMMOAZGBKL-UHFFFAOYSA-N 0 1 284.403 3.792 20 0 CHADMN Cc1cc(Br)c(CN[C@@H]2C=CCC2)s1 ZINC000850359727 1123256437 /nfs/dbraw/zinc/25/64/37/1123256437.db2.gz PFOWYJNJGVVFGH-SECBINFHSA-N 0 1 272.211 3.627 20 0 CHADMN C1=C[C@@H](NCc2ccc(Sc3ccccn3)o2)CC1 ZINC000850358997 1123256672 /nfs/dbraw/zinc/25/66/72/1123256672.db2.gz RPLGYLGLRHNXLO-GFCCVEGCSA-N 0 1 272.373 3.634 20 0 CHADMN CC(C)Oc1ccccc1CN[C@H]1C[C@H](O)c2ccccc21 ZINC000850368889 1123258171 /nfs/dbraw/zinc/25/81/71/1123258171.db2.gz GIRVUYRDUBPLNA-ROUUACIJSA-N 0 1 297.398 3.742 20 0 CHADMN O[C@@H]1C[C@H](NCc2cccc(Cl)c2)c2ccccc21 ZINC000850369435 1123258178 /nfs/dbraw/zinc/25/81/78/1123258178.db2.gz JWVXRXOXRBMIIZ-JKSUJKDBSA-N 0 1 273.763 3.608 20 0 CHADMN Cc1ccc(CN[C@@H]2C[C@H](O)c3ccccc32)c(Cl)c1 ZINC000850372935 1123259532 /nfs/dbraw/zinc/25/95/32/1123259532.db2.gz BHRHUAQUZXQLSO-SJORKVTESA-N 0 1 287.790 3.916 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1ccccc1F ZINC000850373705 1123259848 /nfs/dbraw/zinc/25/98/48/1123259848.db2.gz IXQJVQMWZZXIHI-JECHBYEQSA-N 0 1 271.335 3.655 20 0 CHADMN COCc1csc(CNCc2cnc(C(C)C)s2)c1 ZINC000850377466 1123260370 /nfs/dbraw/zinc/26/03/70/1123260370.db2.gz ILPZTRVNOZHIJQ-UHFFFAOYSA-N 0 1 296.461 3.764 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1ccccn1 ZINC000850419889 1123264191 /nfs/dbraw/zinc/26/41/91/1123264191.db2.gz FSCBRJNOJRNPJS-UONOGXRCSA-N 0 1 282.387 3.818 20 0 CHADMN C[C@H](N[C@@H](C)c1cncc(Br)c1)c1ccc[nH]1 ZINC000850448761 1123268426 /nfs/dbraw/zinc/26/84/26/1123268426.db2.gz PHBBGXFMANEXBZ-UWVGGRQHSA-N 0 1 294.196 3.584 20 0 CHADMN COc1cc([C@H](C)N[C@H](C)c2cc3cnccc3o2)ccn1 ZINC000850469414 1123271778 /nfs/dbraw/zinc/27/17/78/1123271778.db2.gz RKLJBZLYWWSMIP-NWDGAFQWSA-N 0 1 297.358 3.643 20 0 CHADMN Fc1ccc2c(c1Cl)[C@@H](N[C@@H]1C=CCC1)CC2 ZINC000850510486 1123277792 /nfs/dbraw/zinc/27/77/92/1123277792.db2.gz XCNSLHKFOHFDLZ-PWSUYJOCSA-N 0 1 251.732 3.775 20 0 CHADMN Cc1cc([C@H](C)NC[C@H](O)c2cccc3ccccc32)no1 ZINC000850517085 1123278842 /nfs/dbraw/zinc/27/88/42/1123278842.db2.gz QBOACMKZMOZIDK-UGSOOPFHSA-N 0 1 296.370 3.520 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1ccsc1 ZINC000850528891 1123282601 /nfs/dbraw/zinc/28/26/01/1123282601.db2.gz MGMWVNAOKYFNSZ-NZVBXONLSA-N 0 1 259.374 3.577 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@H]1C[C@@H](O)c2ccccc21 ZINC000850527647 1123283266 /nfs/dbraw/zinc/28/32/66/1123283266.db2.gz BIMSUDVMBHDVOW-DOPJRALCSA-N 0 1 297.398 3.914 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000850528474 1123283350 /nfs/dbraw/zinc/28/33/50/1123283350.db2.gz IAPMWYIYVKCMBY-JCURWCKSSA-N 0 1 283.371 3.524 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1cccc(F)c1 ZINC000850528046 1123283383 /nfs/dbraw/zinc/28/33/83/1123283383.db2.gz DMZYOJSIISZFPE-JECHBYEQSA-N 0 1 271.335 3.655 20 0 CHADMN CCc1nc(C)c(CN2C[C@@H](C)[C@H]2c2ccccc2)o1 ZINC000428221586 1123283899 /nfs/dbraw/zinc/28/38/99/1123283899.db2.gz UKHQGVXKCZUTNY-PXAZEXFGSA-N 0 1 270.376 3.738 20 0 CHADMN CCC[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1ccccn1 ZINC000850529470 1123284032 /nfs/dbraw/zinc/28/40/32/1123284032.db2.gz RRRMZBYVIVZFGP-BZSNNMDCSA-N 0 1 282.387 3.691 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@H]2C[C@H](O)c3ccccc32)s1 ZINC000850529020 1123284484 /nfs/dbraw/zinc/28/44/84/1123284484.db2.gz MUTTVLAOFFTFMW-LKTVYLICSA-N 0 1 288.416 3.589 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1ccc(F)cc1 ZINC000850530162 1123285252 /nfs/dbraw/zinc/28/52/52/1123285252.db2.gz WJPKORBVRPDZLZ-MZPVMMEZSA-N 0 1 271.335 3.655 20 0 CHADMN CCOc1cccc([C@H](C)NCc2c(C3CC3)cnn2C)c1 ZINC000850534006 1123286122 /nfs/dbraw/zinc/28/61/22/1123286122.db2.gz FAMOSSKRNUZIRL-ZDUSSCGKSA-N 0 1 299.418 3.547 20 0 CHADMN C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(Cl)nc1 ZINC000850544031 1123289286 /nfs/dbraw/zinc/28/92/86/1123289286.db2.gz SRLOYABKBUXOCG-BMIGLBTASA-N 0 1 288.778 3.779 20 0 CHADMN COc1cccc(C(C)(C)CNc2cc(C)ccn2)c1 ZINC000441941088 1123292367 /nfs/dbraw/zinc/29/23/67/1123292367.db2.gz IVHDCFCNQZNPLC-UHFFFAOYSA-N 0 1 270.376 3.788 20 0 CHADMN C[C@H](O)[C@H](N[C@@H](C)c1ccc(Cl)nc1)c1ccccc1 ZINC000850585511 1123295975 /nfs/dbraw/zinc/29/59/75/1123295975.db2.gz YVAZWWSXHCJMKR-MKBNYLNASA-N 0 1 290.794 3.508 20 0 CHADMN CCCN[C@H](C)c1nc(-c2ccc3ccccc3c2)no1 ZINC000109509790 1123298381 /nfs/dbraw/zinc/29/83/81/1123298381.db2.gz HHKQMLLHKJWZTK-GFCCVEGCSA-N 0 1 281.359 3.950 20 0 CHADMN CSCCN(C)Cc1c(Cl)oc2ccccc21 ZINC000353870029 1123301131 /nfs/dbraw/zinc/30/11/31/1123301131.db2.gz REPMRTKULCVQIG-UHFFFAOYSA-N 0 1 269.797 3.881 20 0 CHADMN CCC[C@H]1CN(Cc2c(C)oc3ccccc32)CCO1 ZINC000353884851 1123313803 /nfs/dbraw/zinc/31/38/03/1123313803.db2.gz YJNCTVLCIORBFH-AWEZNQCLSA-N 0 1 273.376 3.742 20 0 CHADMN Cc1cc(CN[C@H]2CC(C)(C)Cc3occc32)ccn1 ZINC000335164910 1123314677 /nfs/dbraw/zinc/31/46/77/1123314677.db2.gz WCHAONHPHBRFCC-HNNXBMFYSA-N 0 1 270.376 3.786 20 0 CHADMN C[C@H](NC[C@@H]1CCC2(CCCCC2)O1)c1nccs1 ZINC000191020589 1123320551 /nfs/dbraw/zinc/32/05/51/1123320551.db2.gz IRKPOZBUSCXOLO-STQMWFEESA-N 0 1 280.437 3.676 20 0 CHADMN CC[C@H]1CCCCN1Cc1csc(N(C)C2CC2)n1 ZINC000156573936 1129113815 /nfs/dbraw/zinc/11/38/15/1129113815.db2.gz SUOYWHCMBIECPX-ZDUSSCGKSA-N 0 1 279.453 3.506 20 0 CHADMN Cc1ncc(CN[C@@H]2CCCc3sc(Cl)cc32)cn1 ZINC000335199742 1123321460 /nfs/dbraw/zinc/32/14/60/1123321460.db2.gz DLOPKPUQKJCUPI-GFCCVEGCSA-N 0 1 293.823 3.667 20 0 CHADMN Cc1nc(CN2CCCCC[C@@H]2/C=C\c2ccccc2)n[nH]1 ZINC000428253402 1123326974 /nfs/dbraw/zinc/32/69/74/1123326974.db2.gz QJBBLKOQSCTFFM-WFTPILKQSA-N 0 1 296.418 3.571 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@H]1C1CCCCC1)C(=O)[O-] ZINC000688808838 1129114674 /nfs/dbraw/zinc/11/46/74/1129114674.db2.gz YGSZORLFWQYACF-AWEZNQCLSA-N 0 1 267.413 3.532 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@@H](CO)c1ccccc1 ZINC000442787537 1123338820 /nfs/dbraw/zinc/33/88/20/1123338820.db2.gz YPRRTKIXHBBYTP-BBRMVZONSA-N 0 1 287.428 3.793 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2cccc3ncccc23)n1 ZINC000634535698 1129116020 /nfs/dbraw/zinc/11/60/20/1129116020.db2.gz YKLSYSAHYUBYAK-UHFFFAOYSA-N 0 1 298.415 3.943 20 0 CHADMN CC(C)(C)c1nc(SCc2cccc3ncccc23)n[nH]1 ZINC000634535698 1129116023 /nfs/dbraw/zinc/11/60/23/1129116023.db2.gz YKLSYSAHYUBYAK-UHFFFAOYSA-N 0 1 298.415 3.943 20 0 CHADMN CC(C)n1ncc2c1[C@@H](N[C@@H](C)c1cccc(O)c1)CCC2 ZINC000367021050 1123356278 /nfs/dbraw/zinc/35/62/78/1123356278.db2.gz CGTLYZCRFBBPLD-GUYCJALGSA-N 0 1 299.418 3.898 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](C2CC2)C1 ZINC000367026765 1123360921 /nfs/dbraw/zinc/36/09/21/1123360921.db2.gz CLKZRSGPXJLCBI-WCQYABFASA-N 0 1 262.397 3.765 20 0 CHADMN CCCCc1[nH]n(-c2cccc3cnccc32)c(=O)c1C ZINC000634622430 1129121826 /nfs/dbraw/zinc/12/18/26/1129121826.db2.gz DXRZZQGIYMULSV-LBPRGKRZSA-N 0 1 281.359 3.764 20 0 CHADMN CC(C)Cc1ccc(C[N@@H+]([C@H](C)C(=O)[O-])C2CCC2)cc1 ZINC000851708125 1123372634 /nfs/dbraw/zinc/37/26/34/1123372634.db2.gz RVKBQMFVARLDLA-CQSZACIVSA-N 0 1 289.419 3.713 20 0 CHADMN CCN(Cc1cccc(Cl)c1)Cc1cccc(F)n1 ZINC000851727437 1123376218 /nfs/dbraw/zinc/37/62/18/1123376218.db2.gz NENIEKRGDBGCSV-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN C[C@@H](NCc1cnn2ccccc12)c1cc2ccccc2o1 ZINC000191129872 1123384409 /nfs/dbraw/zinc/38/44/09/1123384409.db2.gz IVLZKIGCBPUPNI-CYBMUJFWSA-N 0 1 291.354 3.931 20 0 CHADMN CC[C@@H](CC(F)F)C[N@H+]1CCc2c(F)cccc2C1 ZINC000851869501 1123385616 /nfs/dbraw/zinc/38/56/16/1123385616.db2.gz JOKXPGKOBHNDFX-NSHDSACASA-N 0 1 271.326 3.865 20 0 CHADMN Fc1cccc(CN2CCC[C@H]2/C=C\c2ccccc2)n1 ZINC000851911753 1123388667 /nfs/dbraw/zinc/38/86/67/1123388667.db2.gz DNBHYGOVXRUCNX-CPFIRTDXSA-N 0 1 282.362 3.899 20 0 CHADMN Cc1nc(CN(C)C[C@@H]2C(C)=CCC[C@@H]2C)cs1 ZINC000443406427 1123395009 /nfs/dbraw/zinc/39/50/09/1123395009.db2.gz MDYFFAYNRVXKDA-SWLSCSKDSA-N 0 1 264.438 3.876 20 0 CHADMN CCc1noc([C@@H](C)N2CCC[C@@](C)(c3ccccc3)C2)n1 ZINC000113265450 1123395292 /nfs/dbraw/zinc/39/52/92/1123395292.db2.gz RWIADFZUBJMWNV-RDTXWAMCSA-N 0 1 299.418 3.747 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1cccc(F)n1 ZINC000852091292 1123396946 /nfs/dbraw/zinc/39/69/46/1123396946.db2.gz GQOJXRRZWJVTML-UHFFFAOYSA-N 0 1 258.340 3.554 20 0 CHADMN O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)C(F)(F)F ZINC000839831351 1123397283 /nfs/dbraw/zinc/39/72/83/1123397283.db2.gz UFAXIFSUWNORLR-GXSJLCMTSA-N 0 1 291.700 3.655 20 0 CHADMN COC[C@@H](N[C@H](C)c1cccc(O)c1)c1ccc(F)cc1 ZINC000442862850 1123398904 /nfs/dbraw/zinc/39/89/04/1123398904.db2.gz WBJOLWLZYCULCW-SJKOYZFVSA-N 0 1 289.350 3.570 20 0 CHADMN Cc1cccc(-c2nnc([C@@H](C)N3C[C@@H]4CCCC[C@@H]43)o2)c1 ZINC000852218290 1123400781 /nfs/dbraw/zinc/40/07/81/1123400781.db2.gz GNSCRHZBKGOETG-KBMXLJTQSA-N 0 1 297.402 3.980 20 0 CHADMN CC(C)Cn1nccc1CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000648004118 1123401808 /nfs/dbraw/zinc/40/18/08/1123401808.db2.gz QPGCGQOEKCDSKW-GOSISDBHSA-N 0 1 299.418 3.582 20 0 CHADMN O=C(/C=C/C1CCCC1)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000843782514 1123404828 /nfs/dbraw/zinc/40/48/28/1123404828.db2.gz WETVLFNKMJKWOT-BJMVGYQFSA-N 0 1 281.359 3.762 20 0 CHADMN CCOC(CN[C@H](c1ccccc1F)C(C)C)OCC ZINC000852449717 1123405207 /nfs/dbraw/zinc/40/52/07/1123405207.db2.gz WRUNIVYVDXYCEI-INIZCTEOSA-N 0 1 283.387 3.512 20 0 CHADMN O[C@@H](CCN1CC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000852466434 1123405421 /nfs/dbraw/zinc/40/54/21/1123405421.db2.gz CUXAMBCWAZFRMY-ROUUACIJSA-N 0 1 285.362 3.696 20 0 CHADMN O[C@H](CCN1CC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000852466432 1123405437 /nfs/dbraw/zinc/40/54/37/1123405437.db2.gz CUXAMBCWAZFRMY-QZTJIDSGSA-N 0 1 285.362 3.696 20 0 CHADMN C[C@@H](CC(C)(C)c1ccccc1)N[C@@H](C)c1csnn1 ZINC000398432755 1123406014 /nfs/dbraw/zinc/40/60/14/1123406014.db2.gz ULWUUUFQMKEQIA-STQMWFEESA-N 0 1 289.448 3.945 20 0 CHADMN COCCN(CCF)[C@H](C)c1ccc2ccccc2c1 ZINC000852483360 1123406557 /nfs/dbraw/zinc/40/65/57/1123406557.db2.gz HKGQNEMYFZRNGH-CQSZACIVSA-N 0 1 275.367 3.819 20 0 CHADMN CCCCc1cc(=O)n(Cc2ccccc2Cl)[nH]1 ZINC000634597537 1129119811 /nfs/dbraw/zinc/11/98/11/1129119811.db2.gz NADPTWDGIKYAHX-UHFFFAOYSA-N 0 1 264.756 3.619 20 0 CHADMN Clc1cccc(CN2CCC([C@H]3CCCCO3)CC2)n1 ZINC000852593137 1123410352 /nfs/dbraw/zinc/41/03/52/1123410352.db2.gz DDDPTSVEAHJUNN-OAHLLOKOSA-N 0 1 294.826 3.516 20 0 CHADMN Clc1cccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)n1 ZINC000852598233 1123411052 /nfs/dbraw/zinc/41/10/52/1123411052.db2.gz VJJWTTYLJGWJTM-DZGCQCFKSA-N 0 1 294.826 3.516 20 0 CHADMN C[C@@H]1COC2(CCCC2)CN1C[C@]1(C)CC1(Cl)Cl ZINC000852635255 1123411227 /nfs/dbraw/zinc/41/12/27/1123411227.db2.gz FANQEJJXLCUFPI-NEPJUHHUSA-N 0 1 292.250 3.604 20 0 CHADMN C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@@H]2C[C@@H]2C1 ZINC000852636486 1123411270 /nfs/dbraw/zinc/41/12/70/1123411270.db2.gz VICBQMDZHHIMLV-KBRIMQKVSA-N 0 1 294.398 3.509 20 0 CHADMN CSc1ccc(CN2CCC(c3ccco3)CC2)o1 ZINC000895229176 1123411949 /nfs/dbraw/zinc/41/19/49/1123411949.db2.gz DYWCQYVVIOXUON-UHFFFAOYSA-N 0 1 277.389 3.974 20 0 CHADMN CC(C)CC1(NCc2nnc(-c3cccc(F)c3)o2)CC1 ZINC000852682427 1123412057 /nfs/dbraw/zinc/41/20/57/1123412057.db2.gz ANKUHHQJIPJCRH-UHFFFAOYSA-N 0 1 289.354 3.544 20 0 CHADMN CC[C@H](C)c1cc(=O)n(-c2ccc(SC)cc2)[nH]1 ZINC000634594070 1129119984 /nfs/dbraw/zinc/11/99/84/1129119984.db2.gz JVCDGBMBFJTECC-JTQLQIEISA-N 0 1 262.378 3.547 20 0 CHADMN Clc1cnc(CN2CCCC[C@@H]2CC2CCC2)cn1 ZINC000852712862 1123413894 /nfs/dbraw/zinc/41/38/94/1123413894.db2.gz XZPSGHIDQUNRLC-CQSZACIVSA-N 0 1 279.815 3.675 20 0 CHADMN FC(F)OCCSc1nc2ccc(Cl)cc2[nH]1 ZINC000853011858 1123419426 /nfs/dbraw/zinc/41/94/26/1123419426.db2.gz NFZSHZLCTNBFLR-UHFFFAOYSA-N 0 1 278.711 3.548 20 0 CHADMN Cc1ccc2cc(CNc3nccn3C3CC3)[nH]c2c1 ZINC000853027764 1123420769 /nfs/dbraw/zinc/42/07/69/1123420769.db2.gz DMPOIQOMUGWCRO-UHFFFAOYSA-N 0 1 266.348 3.620 20 0 CHADMN O=C1[C@H]2CCCCCC2=NN1c1ccnc2ccccc21 ZINC000634603163 1129120885 /nfs/dbraw/zinc/12/08/85/1129120885.db2.gz QQCBSTQSXBUZDE-ZDUSSCGKSA-N 0 1 279.343 3.518 20 0 CHADMN O=c1c2c([nH]n1-c1ccnc3ccccc31)CCCCC2 ZINC000634603163 1129120887 /nfs/dbraw/zinc/12/08/87/1129120887.db2.gz QQCBSTQSXBUZDE-ZDUSSCGKSA-N 0 1 279.343 3.518 20 0 CHADMN CC(C)[C@H]1CCc2[nH]n(-c3ccncc3Cl)c(=O)c2C1 ZINC000634608932 1129120949 /nfs/dbraw/zinc/12/09/49/1129120949.db2.gz QPHRDBQUYBJGAL-QWRGUYRKSA-N 0 1 291.782 3.510 20 0 CHADMN Fc1cccc(CN[C@@H]2CCOc3c(F)cccc32)c1 ZINC000335777966 1123427405 /nfs/dbraw/zinc/42/74/05/1123427405.db2.gz YXIHBRAMEJKYMI-OAHLLOKOSA-N 0 1 275.298 3.578 20 0 CHADMN Cc1ccc(C)c(CONC(=O)C(C)(C)c2ccccc2)c1 ZINC000111190847 1123429377 /nfs/dbraw/zinc/42/93/77/1123429377.db2.gz JHRGXXDRGGTRNW-UHFFFAOYSA-N 0 1 297.398 3.829 20 0 CHADMN C[C@@H](CCc1ccccc1)C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000665350170 1123430337 /nfs/dbraw/zinc/43/03/37/1123430337.db2.gz FCGGCHFWUGMZJU-HNNXBMFYSA-N 0 1 291.435 3.688 20 0 CHADMN Fc1ccc(CNCc2cc3ccncc3s2)c(F)c1 ZINC001648959625 1123432573 /nfs/dbraw/zinc/43/25/73/1123432573.db2.gz AUTBDCBQYGWJLI-UHFFFAOYSA-N 0 1 290.338 3.864 20 0 CHADMN CC(C)c1ccc(CC[N@@H+](CC(=O)[O-])CC(C)(C)C)cc1 ZINC000665351155 1123432587 /nfs/dbraw/zinc/43/25/87/1123432587.db2.gz SLPQHTKJVOQCKO-UHFFFAOYSA-N 0 1 291.435 3.785 20 0 CHADMN O[C@H]1C[C@@H](CNCc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000623750641 1123434372 /nfs/dbraw/zinc/43/43/72/1123434372.db2.gz PKCNKDUFPBPERI-OCAPTIKFSA-N 0 1 294.609 3.507 20 0 CHADMN CCCc1[nH]n(-c2cccc3cnccc32)c(=O)c1CC ZINC000634622418 1129121508 /nfs/dbraw/zinc/12/15/08/1129121508.db2.gz DREFPVKNOOQAMK-CYBMUJFWSA-N 0 1 281.359 3.764 20 0 CHADMN CCCCC1=NN(Cc2cnc3ccccc3c2)C(=O)[C@@H]1C ZINC000634618568 1129121536 /nfs/dbraw/zinc/12/15/36/1129121536.db2.gz WBFXEHAYWGTSIG-CYBMUJFWSA-N 0 1 295.386 3.759 20 0 CHADMN CCCCc1[nH]n(Cc2cnc3ccccc3c2)c(=O)c1C ZINC000634618568 1129121537 /nfs/dbraw/zinc/12/15/37/1129121537.db2.gz WBFXEHAYWGTSIG-CYBMUJFWSA-N 0 1 295.386 3.759 20 0 CHADMN Cc1cc2ccccc2nc1N1N=C2CC[C@H](C)C[C@H]2C1=O ZINC000634615800 1129121747 /nfs/dbraw/zinc/12/17/47/1129121747.db2.gz RMTXQRLUDBMRGJ-SMDDNHRTSA-N 0 1 293.370 3.682 20 0 CHADMN CC[C@]1(C)CCCN(Cc2nc(C)sc2C)C1 ZINC000443607930 1123443888 /nfs/dbraw/zinc/44/38/88/1123443888.db2.gz XKIHUBNHJDFGEW-CQSZACIVSA-N 0 1 252.427 3.772 20 0 CHADMN CCC1=NN(Cc2c(OC)ccc3ccccc32)C(=O)[C@H]1C ZINC000634631409 1129122291 /nfs/dbraw/zinc/12/22/91/1129122291.db2.gz TYFOAFRBVBVWGC-LBPRGKRZSA-N 0 1 296.370 3.593 20 0 CHADMN CCc1[nH]n(Cc2c(OC)ccc3ccccc32)c(=O)c1C ZINC000634631409 1129122293 /nfs/dbraw/zinc/12/22/93/1129122293.db2.gz TYFOAFRBVBVWGC-LBPRGKRZSA-N 0 1 296.370 3.593 20 0 CHADMN Cc1cnc(=S)n(CN(C)C[C@@H]2CCc3ccccc32)c1 ZINC000853608966 1123444023 /nfs/dbraw/zinc/44/40/23/1123444023.db2.gz CDLJDVIUQXSTRK-HNNXBMFYSA-N 0 1 299.443 3.540 20 0 CHADMN CC1(C)CCC[N@H+]1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000443616102 1123444522 /nfs/dbraw/zinc/44/45/22/1123444522.db2.gz QQKARTNOCBIDLB-UHFFFAOYSA-N 0 1 291.345 3.525 20 0 CHADMN CC1(C)CCCN1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000443616102 1123444525 /nfs/dbraw/zinc/44/45/25/1123444525.db2.gz QQKARTNOCBIDLB-UHFFFAOYSA-N 0 1 291.345 3.525 20 0 CHADMN Cc1cc(-c2nnc(CN3CCCC[C@H](C)C3)o2)c(C)o1 ZINC000335853233 1123446833 /nfs/dbraw/zinc/44/68/33/1123446833.db2.gz RTCOHNZWFKDTPY-NSHDSACASA-N 0 1 289.379 3.568 20 0 CHADMN Cc1c[nH]nc1CN[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000335870456 1123452189 /nfs/dbraw/zinc/45/21/89/1123452189.db2.gz OOTCRLPTFZZNOF-LBPRGKRZSA-N 0 1 296.201 3.802 20 0 CHADMN C[C@]1(C(N)=O)CCCC[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000335888312 1123459200 /nfs/dbraw/zinc/45/92/00/1123459200.db2.gz AIHCHEVHJOFIJI-DGCLKSJQSA-N 0 1 274.355 3.592 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC[C@@H]2c2ccsc2)cn1 ZINC000335891871 1123460355 /nfs/dbraw/zinc/46/03/55/1123460355.db2.gz COESTUSECMOJMM-IUODEOHRSA-N 0 1 273.405 3.745 20 0 CHADMN CC(C)OCCCN1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000111695006 1123460720 /nfs/dbraw/zinc/46/07/20/1123460720.db2.gz GYIRSQSNWOMTKA-SOLBZPMBSA-N 0 1 291.435 3.652 20 0 CHADMN Fc1ccc2c(c1)nccc2NCC1SCCS1 ZINC000853939174 1123463371 /nfs/dbraw/zinc/46/33/71/1123463371.db2.gz BHMQYIUHJLHMJK-UHFFFAOYSA-N 0 1 280.393 3.592 20 0 CHADMN Cc1ccnc(NCc2nnc(C(C)C)s2)c1C1CC1 ZINC000895347060 1123463522 /nfs/dbraw/zinc/46/35/22/1123463522.db2.gz BIRZGVRPPDYECK-UHFFFAOYSA-N 0 1 288.420 3.854 20 0 CHADMN CC1(C)CN(CC[C@H](O)c2ccccc2)[C@H]1c1ccncc1 ZINC000854040335 1123466510 /nfs/dbraw/zinc/46/65/10/1123466510.db2.gz QOSWTXAXQZHWTG-ROUUACIJSA-N 0 1 296.414 3.588 20 0 CHADMN CC1(C)CN(CC[C@@H](O)c2ccccc2)[C@@H]1c1ccncc1 ZINC000854040334 1123466903 /nfs/dbraw/zinc/46/69/03/1123466903.db2.gz QOSWTXAXQZHWTG-QZTJIDSGSA-N 0 1 296.414 3.588 20 0 CHADMN CC1(C)CN(CC[C@@H](O)c2ccccc2)[C@H]1c1cccnc1 ZINC000854042011 1123467431 /nfs/dbraw/zinc/46/74/31/1123467431.db2.gz UTSUFIXMUUXMPV-MSOLQXFVSA-N 0 1 296.414 3.588 20 0 CHADMN CC(C)NCc1nc(-c2ccc(Cl)cc2Cl)no1 ZINC000854150053 1123470999 /nfs/dbraw/zinc/47/09/99/1123470999.db2.gz WTNGLWHZDUZDQK-UHFFFAOYSA-N 0 1 286.162 3.541 20 0 CHADMN CCc1nc(C)c(CN2Cc3ccccc3C(C)(C)C2)o1 ZINC000428289392 1123473109 /nfs/dbraw/zinc/47/31/09/1123473109.db2.gz UGAPHCYEYFJZSM-UHFFFAOYSA-N 0 1 284.403 3.839 20 0 CHADMN CCOC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000113936929 1123477046 /nfs/dbraw/zinc/47/70/46/1123477046.db2.gz ISTSKCOICVIERV-AWEZNQCLSA-N 0 1 267.800 3.589 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cc(N)ccc21)c1cccnc1Cl ZINC000854227581 1123478987 /nfs/dbraw/zinc/47/89/87/1123478987.db2.gz WFVJHKQMOUHRIP-MEBBXXQBSA-N 0 1 287.794 3.655 20 0 CHADMN Cc1ncc([C@H](C)NCc2cccc3c2NCCC3)s1 ZINC000895441045 1123480701 /nfs/dbraw/zinc/48/07/01/1123480701.db2.gz XNHOKISFXXOWMP-NSHDSACASA-N 0 1 287.432 3.660 20 0 CHADMN Cc1cccc2c1CCC[C@H]2NCc1nccn1C1CC1 ZINC000895463444 1123483451 /nfs/dbraw/zinc/48/34/51/1123483451.db2.gz UDDLCXIOSMUFKX-QGZVFWFLSA-N 0 1 281.403 3.694 20 0 CHADMN CN(CC1=CCSC1)Cc1ccc(C(F)F)c(F)c1 ZINC000895466970 1123483841 /nfs/dbraw/zinc/48/38/41/1123483841.db2.gz ZCJDIVPNYCPBOP-UHFFFAOYSA-N 0 1 287.350 3.868 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1cc2c(cccc2O)s1 ZINC000895476966 1123485035 /nfs/dbraw/zinc/48/50/35/1123485035.db2.gz OFHNCRBAHNNRBF-LLVKDONJSA-N 0 1 299.399 3.556 20 0 CHADMN CCC[C@](C)(CC)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000474196982 1123485982 /nfs/dbraw/zinc/48/59/82/1123485982.db2.gz JXUFIJZSWRPENU-BBRMVZONSA-N 0 1 296.480 3.683 20 0 CHADMN Cc1cc(F)ncc1CN[C@@]1(c2ccccc2)CC1(C)C ZINC000895481316 1123486172 /nfs/dbraw/zinc/48/61/72/1123486172.db2.gz NACFSWCEXLOYQM-GOSISDBHSA-N 0 1 284.378 3.944 20 0 CHADMN Cc1cccc2c1CCN(C[C@@H]1CC1(Cl)Cl)C2 ZINC000729543044 1123487747 /nfs/dbraw/zinc/48/77/47/1123487747.db2.gz CXDGVOPONQODNR-LBPRGKRZSA-N 0 1 270.203 3.547 20 0 CHADMN Cc1ccccc1[C@@H](C(C)C)N(C)CN1CCSC1=O ZINC000112332151 1123489051 /nfs/dbraw/zinc/48/90/51/1123489051.db2.gz BYUICBWIRBHIFZ-OAHLLOKOSA-N 0 1 292.448 3.750 20 0 CHADMN Fc1cccc2c(CN3CCCC[C@@H](F)C3)c[nH]c21 ZINC001137051057 1123489739 /nfs/dbraw/zinc/48/97/39/1123489739.db2.gz CWXHFGYSGICAEI-GFCCVEGCSA-N 0 1 264.319 3.631 20 0 CHADMN FC[C@@H]1CCCN(Cc2cc3c(ccnc3Cl)o2)C1 ZINC000895544216 1123490265 /nfs/dbraw/zinc/49/02/65/1123490265.db2.gz JTQSHKQSDHUXIY-JTQLQIEISA-N 0 1 282.746 3.663 20 0 CHADMN CCN(Cc1cc(C)no1)[C@H](C)c1cccc(OC)c1 ZINC000052706006 1123494293 /nfs/dbraw/zinc/49/42/93/1123494293.db2.gz GJGOKNONPQCITQ-CYBMUJFWSA-N 0 1 274.364 3.575 20 0 CHADMN Fc1cc(Cl)cc(CN2CC[C@@H](c3nccs3)C2)c1 ZINC000895580996 1123495022 /nfs/dbraw/zinc/49/50/22/1123495022.db2.gz JXCSXIDUAOHVEK-LLVKDONJSA-N 0 1 296.798 3.925 20 0 CHADMN CC(C)=CC(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000854817885 1123495688 /nfs/dbraw/zinc/49/56/88/1123495688.db2.gz HQTPJZMCMNNBDX-SNVBAGLBSA-N 0 1 291.782 3.702 20 0 CHADMN CSc1ccc(CN2CC(CC3CCOCC3)C2)s1 ZINC000895615837 1123497028 /nfs/dbraw/zinc/49/70/28/1123497028.db2.gz PKTFXNCORUHKKN-UHFFFAOYSA-N 0 1 297.489 3.719 20 0 CHADMN Cc1ccc([C@@H](C)CNC2(c3ncccn3)CCC2)cc1 ZINC000895622589 1123498143 /nfs/dbraw/zinc/49/81/43/1123498143.db2.gz KSXOXLMAYPWRJZ-HNNXBMFYSA-N 0 1 281.403 3.558 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1cnn(-c2ccccc2)n1)C1CC1 ZINC000729545904 1123500078 /nfs/dbraw/zinc/50/00/78/1123500078.db2.gz YZKNFJJWLUSVSX-CABCVRRESA-N 0 1 298.434 3.666 20 0 CHADMN CC(C)Cc1ccc(CN[C@@H](C)c2ccns2)cn1 ZINC000895661034 1123502050 /nfs/dbraw/zinc/50/20/50/1123502050.db2.gz BCOZKRACQIAAPD-LBPRGKRZSA-N 0 1 275.421 3.587 20 0 CHADMN Cc1nc(CNCC2(C(F)(F)F)CCCC2)sc1C ZINC000895657046 1123502285 /nfs/dbraw/zinc/50/22/85/1123502285.db2.gz SYWMSRFOTHTSFR-UHFFFAOYSA-N 0 1 292.370 3.972 20 0 CHADMN CCC[C@@H](Cc1ccccc1)N[C@H](C)c1ncco1 ZINC000895764039 1123512342 /nfs/dbraw/zinc/51/23/42/1123512342.db2.gz DVSDLIAQYFRPLW-HIFRSBDPSA-N 0 1 258.365 3.737 20 0 CHADMN CN(CCCF)Cc1cnc(-c2cccs2)s1 ZINC000895898395 1123528053 /nfs/dbraw/zinc/52/80/53/1123528053.db2.gz QQBYNMMOAIANNK-UHFFFAOYSA-N 0 1 270.398 3.663 20 0 CHADMN Oc1cccc(CNCc2cc(Cl)cc(Cl)c2)c1 ZINC000383970340 1123531036 /nfs/dbraw/zinc/53/10/36/1123531036.db2.gz QFTNXVJARPMFGQ-UHFFFAOYSA-N 0 1 282.170 3.989 20 0 CHADMN CC(C)c1nnc(CNCC[C@@H]2CCCC2(F)F)s1 ZINC000895999208 1123539387 /nfs/dbraw/zinc/53/93/87/1123539387.db2.gz HPXSXRIZLOIJKA-JTQLQIEISA-N 0 1 289.395 3.577 20 0 CHADMN Fc1cc(CN2CCC(F)CC2)ccc1C(F)F ZINC000896000937 1123539979 /nfs/dbraw/zinc/53/99/79/1123539979.db2.gz YYWZSVLZSZXNAR-UHFFFAOYSA-N 0 1 261.262 3.697 20 0 CHADMN Cc1cnc(CCN(C)Cc2oc(C(C)C)nc2C)s1 ZINC000428296959 1123544671 /nfs/dbraw/zinc/54/46/71/1123544671.db2.gz ZCFSLSLBZQOFGA-UHFFFAOYSA-N 0 1 293.436 3.546 20 0 CHADMN CCc1ccc(CN(Cc2cccc(O)c2)CC2CC2)nc1 ZINC000338995579 1123561176 /nfs/dbraw/zinc/56/11/76/1123561176.db2.gz SAZJSABDYGPODG-UHFFFAOYSA-N 0 1 296.414 3.762 20 0 CHADMN Cc1cccc(O[C@H]2CCN(C(C)C)C2)c1Br ZINC001227129208 1123562502 /nfs/dbraw/zinc/56/25/02/1123562502.db2.gz IUTVXCYGYJQOFK-LBPRGKRZSA-N 0 1 298.224 3.619 20 0 CHADMN CC(C)C[C@@H](NCc1cn(C)nc1Cl)c1ccccc1 ZINC000856764739 1123567296 /nfs/dbraw/zinc/56/72/96/1123567296.db2.gz LZRIRQGZCPGGLP-OAHLLOKOSA-N 0 1 291.826 3.951 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(Cl)nc2)cc1 ZINC000857029467 1123579772 /nfs/dbraw/zinc/57/97/72/1123579772.db2.gz NIZHHGZPKGAXSR-UHFFFAOYSA-N 0 1 274.795 3.929 20 0 CHADMN Cc1cc(CN2CC(Cc3ccsc3)C2)c(C)o1 ZINC000857068526 1123584030 /nfs/dbraw/zinc/58/40/30/1123584030.db2.gz YABNYIUEODIEBU-UHFFFAOYSA-N 0 1 261.390 3.632 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@H]1CCCc2c(O)cccc21 ZINC000671112194 1129131555 /nfs/dbraw/zinc/13/15/55/1129131555.db2.gz XAEPOQIPZWXTFG-BMIGLBTASA-N 0 1 286.375 3.725 20 0 CHADMN CC(C)CN(CC(C)C)C(=O)c1ccc(O)c(Cl)c1 ZINC000041635019 1123594718 /nfs/dbraw/zinc/59/47/18/1123594718.db2.gz ITLYVEZRSJQXSQ-UHFFFAOYSA-N 0 1 283.799 3.800 20 0 CHADMN Cc1ccnc(NCC[C@H]2OCCc3ccccc32)c1 ZINC000896536167 1123596905 /nfs/dbraw/zinc/59/69/05/1123596905.db2.gz QPQVXOLXCWNLEC-MRXNPFEDSA-N 0 1 268.360 3.506 20 0 CHADMN O=C(NC1CCCCCCC1)c1[nH]nc2c1CCCCC2 ZINC000857430230 1123599379 /nfs/dbraw/zinc/59/93/79/1123599379.db2.gz BJHAEAWNFIKXII-UHFFFAOYSA-N 0 1 289.423 3.521 20 0 CHADMN CC[N@@H+](CC1CC1)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000179321286 1123602029 /nfs/dbraw/zinc/60/20/29/1123602029.db2.gz LDPNLERNVQLMHP-GFCCVEGCSA-N 0 1 294.826 3.707 20 0 CHADMN CC(C)c1ccc(CCN[C@@H](c2ncccn2)C2CC2)cc1 ZINC000896598079 1123603766 /nfs/dbraw/zinc/60/37/66/1123603766.db2.gz BTTZVVSDJPYALO-GOSISDBHSA-N 0 1 295.430 3.883 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnc(C)cn1)c1ccc(OC)cc1 ZINC000428305351 1123607623 /nfs/dbraw/zinc/60/76/23/1123607623.db2.gz KCBQKLHJKCWGTD-BBRMVZONSA-N 0 1 285.391 3.596 20 0 CHADMN CCCn1cc(CN(C)[C@H](C)c2cccs2)cn1 ZINC000157828988 1129133015 /nfs/dbraw/zinc/13/30/15/1129133015.db2.gz IWSOCMPJJGKFDR-GFCCVEGCSA-N 0 1 263.410 3.548 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000289206714 1129133410 /nfs/dbraw/zinc/13/34/10/1129133410.db2.gz KCFAPVOAKIBPAF-QGZVFWFLSA-N 0 1 295.386 3.940 20 0 CHADMN CCCCN(C)Cc1cc(F)c(Br)cc1F ZINC001141910625 1123619558 /nfs/dbraw/zinc/61/95/58/1123619558.db2.gz ULBHNUFQIJDZDS-UHFFFAOYSA-N 0 1 292.167 3.959 20 0 CHADMN COc1ccc([C@H](N[C@H]2CCCc3c[nH]nc32)C2CC2)cc1 ZINC000857847230 1123620817 /nfs/dbraw/zinc/62/08/17/1123620817.db2.gz XMAKZCOEQFUDKH-DLBZAZTESA-N 0 1 297.402 3.537 20 0 CHADMN c1coc([C@H](N[C@@H]2CCCc3cn[nH]c32)c2ccccc2)c1 ZINC000857847369 1123621260 /nfs/dbraw/zinc/62/12/60/1123621260.db2.gz ZKOGCJMMRMBJAY-CRAIPNDOSA-N 0 1 293.370 3.759 20 0 CHADMN CCCCOc1cccc(CN[C@H]2CCCc3c[nH]nc32)c1 ZINC000857849055 1123622188 /nfs/dbraw/zinc/62/21/88/1123622188.db2.gz RGZXKMIOUNOUDL-KRWDZBQOSA-N 0 1 299.418 3.756 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@H]1N[C@@H]1CCCc2c[nH]nc21 ZINC000857856441 1123622218 /nfs/dbraw/zinc/62/22/18/1123622218.db2.gz LDKWHSWHIGBHIV-LQAWEQHXSA-N 0 1 299.393 3.839 20 0 CHADMN Cc1c(N[C@@H]2CCCc3cn[nH]c32)cnn1C1CCCC1 ZINC000857864269 1123623143 /nfs/dbraw/zinc/62/31/43/1123623143.db2.gz GSQFTCLJRSGGAY-CQSZACIVSA-N 0 1 285.395 3.519 20 0 CHADMN CCOc1cc(N[C@@H]2CCCc3cn[nH]c32)ccc1C ZINC000857864152 1123623207 /nfs/dbraw/zinc/62/32/07/1123623207.db2.gz ZWLZBEIEYKETSW-CQSZACIVSA-N 0 1 271.364 3.606 20 0 CHADMN CC(C)n1ncc2cc(N[C@H]3CCCc4cn[nH]c43)ccc21 ZINC000857862318 1123623375 /nfs/dbraw/zinc/62/33/75/1123623375.db2.gz BDBMPRHOCHAKBS-HNNXBMFYSA-N 0 1 295.390 3.830 20 0 CHADMN Fc1cccc2c1CCC[C@@H]2N[C@H]1CCCc2c[nH]nc21 ZINC000857868167 1123623551 /nfs/dbraw/zinc/62/35/51/1123623551.db2.gz QBSDBNGIYXZUPE-HOTGVXAUSA-N 0 1 285.366 3.593 20 0 CHADMN Cc1ccc(C2(N[C@@H]3CCCc4c[nH]nc43)CCC2)cc1 ZINC000857873323 1123624337 /nfs/dbraw/zinc/62/43/37/1123624337.db2.gz WRMHNVZMCAXPQO-MRXNPFEDSA-N 0 1 281.403 3.765 20 0 CHADMN C[C@@H](NCc1ccnc(F)c1)c1ccc(OC(F)F)cc1 ZINC000858090563 1123629860 /nfs/dbraw/zinc/62/98/60/1123629860.db2.gz IVXKWAUQYGXRHZ-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN CCCCOc1cccc(CNCc2ccnc(F)c2)c1 ZINC000858099209 1123631081 /nfs/dbraw/zinc/63/10/81/1123631081.db2.gz UQPNYASBWOBXHF-UHFFFAOYSA-N 0 1 288.366 3.689 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccnc(F)c1)CCC2 ZINC000858155541 1123634963 /nfs/dbraw/zinc/63/49/63/1123634963.db2.gz DJLJTTOYFCXTSD-HNNXBMFYSA-N 0 1 274.314 3.527 20 0 CHADMN CO[C@H](CN[C@@H](C)c1cc(C)c(F)c(C)c1)C(F)(F)F ZINC000777013806 1123640786 /nfs/dbraw/zinc/64/07/86/1123640786.db2.gz XLXOSFMUTUNREE-CMPLNLGQSA-N 0 1 293.304 3.670 20 0 CHADMN Cc1occc1CN[C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000648068768 1123642122 /nfs/dbraw/zinc/64/21/22/1123642122.db2.gz BLSYAPVBRVGJBS-GOSISDBHSA-N 0 1 297.398 3.748 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnc(C)cn1)c1ccc(C)cc1 ZINC000428307804 1123643116 /nfs/dbraw/zinc/64/31/16/1123643116.db2.gz WJHFHDUMQYDXOO-HOCLYGCPSA-N 0 1 269.392 3.895 20 0 CHADMN COc1ccccc1/C=C/CN[C@@H](C)c1ccns1 ZINC000858317040 1123644596 /nfs/dbraw/zinc/64/45/96/1123644596.db2.gz FJKYGRIKTFTLLJ-PZBABLGHSA-N 0 1 274.389 3.516 20 0 CHADMN C(=C\c1ccccc1)\CN[C@@H]1CCCc2scnc21 ZINC000858364354 1123647620 /nfs/dbraw/zinc/64/76/20/1123647620.db2.gz FOPSACOZYSRVCH-BMWLXYDHSA-N 0 1 270.401 3.824 20 0 CHADMN CCc1cc(CN[C@H](C)c2cccc(C(C)C)c2)[nH]n1 ZINC000858364059 1123647818 /nfs/dbraw/zinc/64/78/18/1123647818.db2.gz CMPONVOVCKRSJC-CYBMUJFWSA-N 0 1 271.408 3.946 20 0 CHADMN CCC[C@H](C)CCC[C@@H](C)NCc1nnc(C)s1 ZINC000858403639 1123651410 /nfs/dbraw/zinc/65/14/10/1123651410.db2.gz IEGBRPYGXHZWMH-NWDGAFQWSA-N 0 1 269.458 3.931 20 0 CHADMN CC1(C)CN(Cc2ncc(C3CC3)o2)[C@@H]2CCC[C@@H]21 ZINC000335909611 1123651528 /nfs/dbraw/zinc/65/15/28/1123651528.db2.gz XUXYHDGNWHPCII-QWHCGFSZSA-N 0 1 260.381 3.563 20 0 CHADMN C[C@]1(CN[C@H]2CCCc3scnc32)CC1(Cl)Cl ZINC000858423054 1123652805 /nfs/dbraw/zinc/65/28/05/1123652805.db2.gz WZPZFAHXXBELTD-GZMMTYOYSA-N 0 1 291.247 3.694 20 0 CHADMN Cc1ncc(CN(C)CCSCc2ccccc2)s1 ZINC000192547416 1123653553 /nfs/dbraw/zinc/65/35/53/1123653553.db2.gz AZNCGQVVYCZEME-UHFFFAOYSA-N 0 1 292.473 3.817 20 0 CHADMN c1cc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)sn1 ZINC000858450223 1123655503 /nfs/dbraw/zinc/65/55/03/1123655503.db2.gz CXIJMLSFGCWWJI-CQSZACIVSA-N 0 1 286.400 3.679 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@](C)(c3ccccc3)C2)s1 ZINC000335913039 1123656457 /nfs/dbraw/zinc/65/64/57/1123656457.db2.gz CWEWFTNDHGFZMY-LRDDRELGSA-N 0 1 287.432 3.571 20 0 CHADMN COc1ccc2c(c1F)CC[C@@H]2N[C@@H](C)c1ccns1 ZINC000858575441 1123664049 /nfs/dbraw/zinc/66/40/49/1123664049.db2.gz AKZLWIPKOBRQCN-CABZTGNLSA-N 0 1 292.379 3.629 20 0 CHADMN CCc1nc2c(s1)[C@H](N[C@@H](C)c1ccns1)CCC2 ZINC000858578355 1123664536 /nfs/dbraw/zinc/66/45/36/1123664536.db2.gz UULAATNLHSICRK-VHSXEESVSA-N 0 1 293.461 3.890 20 0 CHADMN CCc1nc(C)c([C@H](C)N[C@@H](C)c2ccns2)s1 ZINC000858576763 1123664773 /nfs/dbraw/zinc/66/47/73/1123664773.db2.gz MHQJUMAXJGBCDN-IUCAKERBSA-N 0 1 281.450 3.882 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccns1 ZINC000858579994 1123665564 /nfs/dbraw/zinc/66/55/64/1123665564.db2.gz ZTXSNBYWBMEVHB-QWHCGFSZSA-N 0 1 298.415 3.741 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1ccns1 ZINC000858578418 1123665738 /nfs/dbraw/zinc/66/57/38/1123665738.db2.gz ZNVONRHOZANHLK-RYUDHWBXSA-N 0 1 288.416 3.880 20 0 CHADMN CCc1ccc(C[N@H+](CC)[C@H](C)c2cccc(O)c2)nc1 ZINC000339012585 1123667388 /nfs/dbraw/zinc/66/73/88/1123667388.db2.gz HQLSNVHOOOGWID-CQSZACIVSA-N 0 1 284.403 3.933 20 0 CHADMN CCc1ccc(CN(CC)[C@H](C)c2cccc(O)c2)nc1 ZINC000339012585 1123667392 /nfs/dbraw/zinc/66/73/92/1123667392.db2.gz HQLSNVHOOOGWID-CQSZACIVSA-N 0 1 284.403 3.933 20 0 CHADMN CCc1cnc(C[N@H+]2CC[C@H](c3ccccc3)C2)s1 ZINC000346134059 1123668391 /nfs/dbraw/zinc/66/83/91/1123668391.db2.gz FEVCQVVMSKIHCH-AWEZNQCLSA-N 0 1 272.417 3.695 20 0 CHADMN CCOc1cccc(CN2CCCC[C@@H]2c2ccnn2C)c1 ZINC000281152908 1123685314 /nfs/dbraw/zinc/68/53/14/1123685314.db2.gz FOQTTWIPLOVINH-GOSISDBHSA-N 0 1 299.418 3.546 20 0 CHADMN CCc1noc([C@@H](C)N2CCCC(CC)(CC)CC2)n1 ZINC000346469120 1123687879 /nfs/dbraw/zinc/68/78/79/1123687879.db2.gz MJULVRZXPLXQMH-CYBMUJFWSA-N 0 1 279.428 3.985 20 0 CHADMN Cn1nc(CN[C@H](c2ccccc2)C2CCC2)cc1Cl ZINC000859188418 1123689477 /nfs/dbraw/zinc/68/94/77/1123689477.db2.gz ONAGMTKKIGEBSY-MRXNPFEDSA-N 0 1 289.810 3.705 20 0 CHADMN Cc1ccc([C@H](C)NCc2cc(CO)ccc2F)s1 ZINC000859249159 1123693291 /nfs/dbraw/zinc/69/32/91/1123693291.db2.gz UFURUFHLTDYSBV-NSHDSACASA-N 0 1 279.380 3.539 20 0 CHADMN Cc1ccccc1SC[C@@H](C)C[N@@H+](C)Cc1c[nH]cn1 ZINC000859343429 1123695295 /nfs/dbraw/zinc/69/52/95/1123695295.db2.gz XQQVBCLAOSQGRZ-ZDUSSCGKSA-N 0 1 289.448 3.578 20 0 CHADMN Cc1ccccc1SC[C@@H](C)CN(C)Cc1c[nH]cn1 ZINC000859343429 1123695297 /nfs/dbraw/zinc/69/52/97/1123695297.db2.gz XQQVBCLAOSQGRZ-ZDUSSCGKSA-N 0 1 289.448 3.578 20 0 CHADMN CC[C@@H](NCc1ccc(F)cn1)c1cccs1 ZINC000346573288 1123696524 /nfs/dbraw/zinc/69/65/24/1123696524.db2.gz QMCXHXCEUMAJDH-GFCCVEGCSA-N 0 1 250.342 3.523 20 0 CHADMN FC1(F)CC12C[C@H]1CC[C@@H](C2)N1Cc1cccc(Cl)n1 ZINC000859427816 1123697328 /nfs/dbraw/zinc/69/73/28/1123697328.db2.gz NYPFJHSJEYGGBM-ONXXMXGDSA-N 0 1 298.764 3.887 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccco1)c1cc2c(s1)CCC2 ZINC000346628511 1123701777 /nfs/dbraw/zinc/70/17/77/1123701777.db2.gz YYVQPZHJEXFAIW-WCQYABFASA-N 0 1 291.416 3.604 20 0 CHADMN CC1(C)C[C@H]1N[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000346642312 1123703854 /nfs/dbraw/zinc/70/38/54/1123703854.db2.gz SMTVZYLINSXMMD-HZPDHXFCSA-N 0 1 270.351 3.698 20 0 CHADMN CS[C@@H](C)CN[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000346665315 1123705867 /nfs/dbraw/zinc/70/58/67/1123705867.db2.gz ZQPQWTXZGSMHRO-LRDDRELGSA-N 0 1 290.407 3.651 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H]1CCCc2c(O)cccc21 ZINC000671120910 1129140018 /nfs/dbraw/zinc/14/00/18/1129140018.db2.gz DMFBZMFBFXHLQY-LRDDRELGSA-N 0 1 298.386 3.524 20 0 CHADMN CCC[N@@H+](CC)Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000859780940 1123709061 /nfs/dbraw/zinc/70/90/61/1123709061.db2.gz HVDJJGMWLFZIQI-UHFFFAOYSA-N 0 1 287.359 3.877 20 0 CHADMN CC(C)(CC[N@H+]1CCCC[C@H]1Cc1ccccc1)C(=O)[O-] ZINC000859785749 1123709762 /nfs/dbraw/zinc/70/97/62/1123709762.db2.gz SXXINBKYQIFHQC-INIZCTEOSA-N 0 1 289.419 3.585 20 0 CHADMN Cc1ccc(OC2CCN(C/C=C/Cl)CC2)cc1 ZINC000116994230 1123712972 /nfs/dbraw/zinc/71/29/72/1123712972.db2.gz GZHASSQYEQLDPY-XNWCZRBMSA-N 0 1 265.784 3.591 20 0 CHADMN C[C@@H](c1cccnc1)N1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000649894140 1129140888 /nfs/dbraw/zinc/14/08/88/1129140888.db2.gz CPSWHOACHPHBAM-KBPBESRZSA-N 0 1 284.378 3.944 20 0 CHADMN C/C=C\C[C@H]1CCCN(Cc2c(C)nn(C)c2Cl)C1 ZINC000860180349 1123724298 /nfs/dbraw/zinc/72/42/98/1123724298.db2.gz QVLBHSAFJGGASR-ZFDPJTLLSA-N 0 1 281.831 3.560 20 0 CHADMN CCCC[C@@H](CC)CCN[C@@H](C)c1csnn1 ZINC000414544361 1129142300 /nfs/dbraw/zinc/14/23/00/1129142300.db2.gz CPPIAGWKCZQDAZ-NWDGAFQWSA-N 0 1 255.431 3.795 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)C[C@@H]1CC[C@@H](C)O1 ZINC000475055645 1123757788 /nfs/dbraw/zinc/75/77/88/1123757788.db2.gz WYVNVJBIXJEOFO-AGIUHOORSA-N 0 1 267.800 3.900 20 0 CHADMN Clc1csc(CN2CCC(c3c[nH]cn3)CC2)c1 ZINC000336305721 1123758381 /nfs/dbraw/zinc/75/83/81/1123758381.db2.gz QNKMCPFORGQWCW-UHFFFAOYSA-N 0 1 281.812 3.504 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1CCc2cc(C)cc(C)c21 ZINC000655700898 1123769204 /nfs/dbraw/zinc/76/92/04/1123769204.db2.gz QIGFVJWNTLOLAL-MRXNPFEDSA-N 0 1 270.376 3.685 20 0 CHADMN Cc1cc(C)c(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c(C)n1 ZINC000639522280 1123771336 /nfs/dbraw/zinc/77/13/36/1123771336.db2.gz GNTWLRKBRFAYPY-KRWDZBQOSA-N 0 1 269.392 3.672 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2nc3ccccc3n2C(F)F)C1 ZINC000444221652 1123772516 /nfs/dbraw/zinc/77/25/16/1123772516.db2.gz DOWKRAPNPZHGSI-GHMZBOCLSA-N 0 1 279.334 3.662 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2ccncn2)c(C)s1 ZINC000395782665 1123777341 /nfs/dbraw/zinc/77/73/41/1123777341.db2.gz DVBUYCCVFCEYFE-GHMZBOCLSA-N 0 1 261.394 3.567 20 0 CHADMN CC(C)CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000042336628 1123781802 /nfs/dbraw/zinc/78/18/02/1123781802.db2.gz AIYMZOZLCVNRJL-CHWSQXEVSA-N 0 1 296.842 3.541 20 0 CHADMN CC[C@H]1CCCN(Cc2ccc(Br)cn2)CC1 ZINC000134756307 1123794479 /nfs/dbraw/zinc/79/44/79/1123794479.db2.gz HDXYDCSNDZYVRE-LBPRGKRZSA-N 0 1 297.240 3.856 20 0 CHADMN CCN(c1ccc(NCc2cnc(C)o2)cc1)C(C)C ZINC000862252029 1123795531 /nfs/dbraw/zinc/79/55/31/1123795531.db2.gz CCPZTOFIUNAXKV-UHFFFAOYSA-N 0 1 273.380 3.830 20 0 CHADMN CN(Cc1nc2ccccc2n1C)[C@@H]1C=CCCCCC1 ZINC000670991350 1123798549 /nfs/dbraw/zinc/79/85/49/1123798549.db2.gz REVYTNAQUNKORS-OAHLLOKOSA-N 0 1 283.419 3.894 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCC(O)(C3CCC3)CC2)o1 ZINC000897033643 1123802153 /nfs/dbraw/zinc/80/21/53/1123802153.db2.gz GBICSAKMYSIINI-CJNGLKHVSA-N 0 1 289.419 3.530 20 0 CHADMN Fc1cccc2c(CN3CCc4sccc4C3)c[nH]c21 ZINC001137052665 1123802345 /nfs/dbraw/zinc/80/23/45/1123802345.db2.gz IAOBEZWVRVCQKB-UHFFFAOYSA-N 0 1 286.375 3.927 20 0 CHADMN Cc1nccc(N2CC[C@@H]3CC[C@@]32c2cccnc2)c1Cl ZINC000897070453 1123808872 /nfs/dbraw/zinc/80/88/72/1123808872.db2.gz JPOKQXHDGKTQGD-GUYCJALGSA-N 0 1 299.805 3.954 20 0 CHADMN FCC[C@@H]1CN(Cc2ccccc2-c2ccccc2)CCO1 ZINC000862530797 1123817287 /nfs/dbraw/zinc/81/72/87/1123817287.db2.gz TVLXHEMGWQTCBB-GOSISDBHSA-N 0 1 299.389 3.914 20 0 CHADMN CCc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)o1 ZINC000475285165 1123834008 /nfs/dbraw/zinc/83/40/08/1123834008.db2.gz YFABDKWIXYCESX-BXKDBHETSA-N 0 1 261.287 3.615 20 0 CHADMN C[C@@H](CN[C@@H](C)c1nc2c(s1)CCCC2)C(F)(F)F ZINC000475321300 1123837798 /nfs/dbraw/zinc/83/77/98/1123837798.db2.gz YDMQZOGCWVPSQI-IUCAKERBSA-N 0 1 292.370 3.871 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2cnc(C)cn2)s1 ZINC000794486597 1123847003 /nfs/dbraw/zinc/84/70/03/1123847003.db2.gz HEKBBYPRHAWMNP-NWDGAFQWSA-N 0 1 261.394 3.567 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2cnc(C)cn2)s1 ZINC000794486600 1123847500 /nfs/dbraw/zinc/84/75/00/1123847500.db2.gz HEKBBYPRHAWMNP-VXGBXAGGSA-N 0 1 261.394 3.567 20 0 CHADMN CCCOCSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000863219516 1123852961 /nfs/dbraw/zinc/85/29/61/1123852961.db2.gz IXSGJBFTUCYOLC-UHFFFAOYSA-N 0 1 276.405 3.785 20 0 CHADMN C[C@H](N(C)CN1C[C@@H](c2ccccc2)OC1=O)C(C)(C)C ZINC000863256342 1123856384 /nfs/dbraw/zinc/85/63/84/1123856384.db2.gz PNJLXXQFUORDBE-ZFWWWQNUSA-N 0 1 290.407 3.504 20 0 CHADMN COc1ccc(OC)c(CN(C)[C@@H](C)c2cccs2)c1 ZINC000158662116 1129150131 /nfs/dbraw/zinc/15/01/31/1129150131.db2.gz VLXMTHJOYBSMQQ-LBPRGKRZSA-N 0 1 291.416 3.958 20 0 CHADMN C/C=C\C[C@@H]1CCCN(CN2C(=O)C[C@@H]2c2ccccc2)C1 ZINC000863341965 1123862406 /nfs/dbraw/zinc/86/24/06/1123862406.db2.gz WMQOHYLBXJECPA-HMDTVDTHSA-N 0 1 298.430 3.596 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1ccnn1C)c1ccc(F)cc1F ZINC000192955359 1123868259 /nfs/dbraw/zinc/86/82/59/1123868259.db2.gz LBTFZLCYJDLIOB-ZBEGNZNMSA-N 0 1 293.361 3.746 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1ccnn1C)c1ccc(F)cc1F ZINC000192955395 1123868569 /nfs/dbraw/zinc/86/85/69/1123868569.db2.gz LBTFZLCYJDLIOB-BZNIZROVSA-N 0 1 293.361 3.746 20 0 CHADMN CSC=CC(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 ZINC000083600404 1129150992 /nfs/dbraw/zinc/15/09/92/1129150992.db2.gz ICXDCKGIUDFDGH-BQYQJAHWSA-N 0 1 287.388 3.509 20 0 CHADMN CCN[C@H](C)c1nc(-c2ccc3cc(OC)ccc3c2)no1 ZINC000863659789 1123885166 /nfs/dbraw/zinc/88/51/66/1123885166.db2.gz IJAWWQLMHXAGPY-LLVKDONJSA-N 0 1 297.358 3.569 20 0 CHADMN CC[C@H](C)[C@@](C)(O)CNc1ccnc2cc(F)ccc21 ZINC000301256899 1123886080 /nfs/dbraw/zinc/88/60/80/1123886080.db2.gz KOHKIJQYNGNHGV-ZBEGNZNMSA-N 0 1 276.355 3.583 20 0 CHADMN CCN[C@@H](C)c1nc(-c2cccc(C(C)(F)F)c2)no1 ZINC000863678610 1123889464 /nfs/dbraw/zinc/88/94/64/1123889464.db2.gz ZGYULJXMYGGOJP-VIFPVBQESA-N 0 1 281.306 3.519 20 0 CHADMN COc1cccc(CNc2ccnc3cc(F)ccc32)c1 ZINC000301299949 1123889699 /nfs/dbraw/zinc/88/96/99/1123889699.db2.gz XBBFLQLAOWYVOQ-UHFFFAOYSA-N 0 1 282.318 3.995 20 0 CHADMN CCCc1cc(C(=O)N(CC)[C@@H](CC)c2ccccc2)n[nH]1 ZINC000621233565 1129151982 /nfs/dbraw/zinc/15/19/82/1129151982.db2.gz HESAUBSVMUTAJJ-KRWDZBQOSA-N 0 1 299.418 3.976 20 0 CHADMN CC1(C)[C@H](Nc2ccnc3cc(F)ccc32)[C@H]2CCO[C@@H]21 ZINC000301324802 1123891667 /nfs/dbraw/zinc/89/16/67/1123891667.db2.gz AFPLESUYNRVCRO-WQVCFCJDSA-N 0 1 286.350 3.599 20 0 CHADMN CCOc1cccc(CNC(C)(C)c2cccc(C)c2)n1 ZINC000158802918 1129152484 /nfs/dbraw/zinc/15/24/84/1129152484.db2.gz RAZNMQAZWJNCMB-UHFFFAOYSA-N 0 1 284.403 3.814 20 0 CHADMN COc1ccccc1C(C)(C)NCc1cc(C)oc1C ZINC000119756201 1123904970 /nfs/dbraw/zinc/90/49/70/1123904970.db2.gz JBJUGSAUWNBUDR-UHFFFAOYSA-N 0 1 273.376 3.930 20 0 CHADMN FC(F)(F)c1cnccc1N1[C@@H]2CC[C@H]1CC(F)(F)C2 ZINC000864093532 1123917422 /nfs/dbraw/zinc/91/74/22/1123917422.db2.gz SCAFVMAUMJLXAJ-DTORHVGOSA-N 0 1 292.251 3.867 20 0 CHADMN Cc1ccnc(NCCNc2ncc(Cl)cc2Cl)c1 ZINC000301623024 1123918683 /nfs/dbraw/zinc/91/86/83/1123918683.db2.gz FFOBHYYXHSNYJJ-UHFFFAOYSA-N 0 1 297.189 3.616 20 0 CHADMN Cc1ccnc(NCCCO[C@@H](C)c2ccccc2)c1 ZINC000301639322 1123919391 /nfs/dbraw/zinc/91/93/91/1123919391.db2.gz MQURWZQXEBOQFT-HNNXBMFYSA-N 0 1 270.376 3.970 20 0 CHADMN Cc1ccnc(NCCCOc2ccccc2C)c1 ZINC000301647168 1123920160 /nfs/dbraw/zinc/92/01/60/1123920160.db2.gz OHZRTTNAYBTSFS-UHFFFAOYSA-N 0 1 256.349 3.579 20 0 CHADMN Cc1ccnc(NC[C@H](C)Oc2ccccc2Cl)c1 ZINC000301649882 1123920621 /nfs/dbraw/zinc/92/06/21/1123920621.db2.gz PNHZNMVZLKCOTB-LBPRGKRZSA-N 0 1 276.767 3.923 20 0 CHADMN CC[C@@H](C)[C@@H](O)CNc1cc(C)nc2ccc(F)cc21 ZINC000301655409 1123921227 /nfs/dbraw/zinc/92/12/27/1123921227.db2.gz HOJLZLSMKQHQQG-HWPZZCPQSA-N 0 1 276.355 3.501 20 0 CHADMN CCO[C@H](CCNc1cc(C)ccn1)C1CCCC1 ZINC000301655768 1123921253 /nfs/dbraw/zinc/92/12/53/1123921253.db2.gz RTEZXRVFXXFAHP-OAHLLOKOSA-N 0 1 262.397 3.787 20 0 CHADMN COC1(CNc2cc(C)nc3ccc(F)cc32)CCC1 ZINC000302026544 1123950648 /nfs/dbraw/zinc/95/06/48/1123950648.db2.gz LFPKYYMHOKSUTK-UHFFFAOYSA-N 0 1 274.339 3.663 20 0 CHADMN COCCC(C)(C)CNc1ccnc2cc(F)ccc21 ZINC000302175744 1123959678 /nfs/dbraw/zinc/95/96/78/1123959678.db2.gz XAHQPSPCEOCOTN-UHFFFAOYSA-N 0 1 276.355 3.849 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(Br)cn1)c1ccc[nH]1 ZINC000794819323 1123960372 /nfs/dbraw/zinc/96/03/72/1123960372.db2.gz WEQQJCUQZVYSPW-UWVGGRQHSA-N 0 1 294.196 3.584 20 0 CHADMN Cc1ccc(C)c([C@H](C)NCc2cccnc2F)c1 ZINC000794832875 1123967418 /nfs/dbraw/zinc/96/74/18/1123967418.db2.gz DPVPWGWTMGMEGP-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cncc(Cl)c1 ZINC000621276441 1129156656 /nfs/dbraw/zinc/15/66/56/1129156656.db2.gz HDGCZYIIIDSCHQ-NSHDSACASA-N 0 1 275.783 3.543 20 0 CHADMN CC(C)OCCCN1CCn2cccc2[C@H]1c1ccccc1 ZINC000159007777 1129156893 /nfs/dbraw/zinc/15/68/93/1129156893.db2.gz GEEPQLHKVQDVAY-LJQANCHMSA-N 0 1 298.430 3.708 20 0 CHADMN C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)C(C)(C)C ZINC000865347352 1123972648 /nfs/dbraw/zinc/97/26/48/1123972648.db2.gz XVEWXRULWHOUPD-SNVBAGLBSA-N 0 1 289.404 3.568 20 0 CHADMN CO[C@H]1CN(c2cc(C)nc3ccc(F)cc32)CC[C@H]1C ZINC000302566804 1123972896 /nfs/dbraw/zinc/97/28/96/1123972896.db2.gz OWPZSHSNEWUFMQ-DIFFPNOSSA-N 0 1 288.366 3.544 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1nc(C(C)(C)C)ns1 ZINC000302646260 1123975690 /nfs/dbraw/zinc/97/56/90/1123975690.db2.gz AQDNPFCELWNVNN-UHFFFAOYSA-N 0 1 287.392 3.764 20 0 CHADMN Cc1cc2c(ncnc2Nc2cc3cn[nH]c3cc2C)s1 ZINC000302728999 1123980370 /nfs/dbraw/zinc/98/03/70/1123980370.db2.gz QSHVIVQPWZVPTM-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN c1nc(CN[C@H](c2ccccc2)C2CCC2)cn1C1CC1 ZINC000865449189 1123985082 /nfs/dbraw/zinc/98/50/82/1123985082.db2.gz TWOVONYKTVGXLY-GOSISDBHSA-N 0 1 281.403 3.849 20 0 CHADMN CO[C@H](CNCc1c(Cl)cncc1Cl)CC(C)C ZINC000865605114 1123997897 /nfs/dbraw/zinc/99/78/97/1123997897.db2.gz MXTFEQUZHKXWCT-JTQLQIEISA-N 0 1 291.222 3.539 20 0 CHADMN CC(C)c1ccccc1OCCNCc1cn(C2CC2)cn1 ZINC000865458080 1123986168 /nfs/dbraw/zinc/98/61/68/1123986168.db2.gz CFWXJKOTPXJPOY-UHFFFAOYSA-N 0 1 299.418 3.510 20 0 CHADMN Cc1c(Cl)cccc1CN[C@@H](CO)c1ccc(F)cc1 ZINC000865468758 1123987284 /nfs/dbraw/zinc/98/72/84/1123987284.db2.gz ZRYNLVOCUCIKPH-INIZCTEOSA-N 0 1 293.769 3.611 20 0 CHADMN CCc1cccc(CNCc2cnc(Cl)c(F)c2)c1 ZINC000865617156 1124000311 /nfs/dbraw/zinc/00/03/11/1124000311.db2.gz VUSUVSOOTUDQOA-UHFFFAOYSA-N 0 1 278.758 3.726 20 0 CHADMN Clc1cncc(CNC2(c3ccccc3)CC2)c1 ZINC000621273965 1129159971 /nfs/dbraw/zinc/15/99/71/1129159971.db2.gz SVUPVHYZVLMZQZ-UHFFFAOYSA-N 0 1 258.752 3.514 20 0 CHADMN COC1(CNc2ccc(CN(C)C)c(Cl)c2)CCCC1 ZINC000475558550 1124009723 /nfs/dbraw/zinc/00/97/23/1124009723.db2.gz GJCQODYJGIMMQL-UHFFFAOYSA-N 0 1 296.842 3.773 20 0 CHADMN C[C@H](NCc1ccccc1F)c1ccc(Cl)nc1 ZINC000179094447 1124016565 /nfs/dbraw/zinc/01/65/65/1124016565.db2.gz JGCQSFMUVSPKPA-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN C[C@@H](NCc1cnn(C(C)(C)C)c1)c1cc2cnccc2o1 ZINC000865852117 1124021335 /nfs/dbraw/zinc/02/13/35/1124021335.db2.gz NKQRBKQUQDYNIT-GFCCVEGCSA-N 0 1 298.390 3.630 20 0 CHADMN Cc1nc(F)ccc1CN[C@@H](C)c1cc2cnccc2o1 ZINC000865854030 1124021502 /nfs/dbraw/zinc/02/15/02/1124021502.db2.gz LVAVCSXRYRTHCP-NSHDSACASA-N 0 1 285.322 3.521 20 0 CHADMN Cc1nc(F)ccc1CN[C@H](C)c1cc2cnccc2o1 ZINC000865854029 1124021869 /nfs/dbraw/zinc/02/18/69/1124021869.db2.gz LVAVCSXRYRTHCP-LLVKDONJSA-N 0 1 285.322 3.521 20 0 CHADMN COc1ccc2c(c1)CN(c1ccncc1C(F)(F)F)C2 ZINC000865917791 1124024900 /nfs/dbraw/zinc/02/49/00/1124024900.db2.gz PWXSITITVMVDEC-UHFFFAOYSA-N 0 1 294.276 3.629 20 0 CHADMN CCC(C)=C(C)C(=O)N[C@H](CC)c1nc2ccccc2[nH]1 ZINC000779905759 1129161378 /nfs/dbraw/zinc/16/13/78/1129161378.db2.gz NRQJXCMGWHJCNF-XZHRJIJLSA-N 0 1 285.391 3.877 20 0 CHADMN CC(C)c1nc(CN[C@@H]2CCCC[C@H]2C(C)(C)C)no1 ZINC000108366976 1124025727 /nfs/dbraw/zinc/02/57/27/1124025727.db2.gz WOZOFLBFOIMQEU-CHWSQXEVSA-N 0 1 279.428 3.888 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@H]1N[C@H]1CCCn2ccnc21 ZINC000655720751 1124026701 /nfs/dbraw/zinc/02/67/01/1124026701.db2.gz FQMLPBMBSACVDR-DQYPLSBCSA-N 0 1 299.393 3.770 20 0 CHADMN CCC1(CC)[C@H](NCc2ncc(C(C)C)o2)[C@@H](C)[C@H]1OC ZINC000759612107 1124029054 /nfs/dbraw/zinc/02/90/54/1124029054.db2.gz LMTSESBGHXLTHU-DAXOMENPSA-N 0 1 294.439 3.727 20 0 CHADMN Cc1cc2cc[nH]c2cc1NC(=O)c1cccc2nc[nH]c21 ZINC000444451509 1124036584 /nfs/dbraw/zinc/03/65/84/1124036584.db2.gz UVCDKZLOXFXLFG-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN Cc1nccc(CN[C@@H]2CCc3cccc4cccc2c43)n1 ZINC000866239047 1124040898 /nfs/dbraw/zinc/04/08/98/1124040898.db2.gz PFDYHIUMFPIGPV-GOSISDBHSA-N 0 1 289.382 3.715 20 0 CHADMN O=C(Nc1nc(C2CCC2)cs1)c1ccc(F)cc1O ZINC000444528321 1124041327 /nfs/dbraw/zinc/04/13/27/1124041327.db2.gz WFNAIEATYCMSMX-UHFFFAOYSA-N 0 1 292.335 3.508 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1Cc1nncn1-c1ccccc1 ZINC000444648832 1124048138 /nfs/dbraw/zinc/04/81/38/1124048138.db2.gz OETIZUGKHXSPRM-DOTOQJQBSA-N 0 1 298.434 3.668 20 0 CHADMN CSc1ccccc1[C@@H](N[C@H]1CCOC1)c1ccccc1 ZINC000866311402 1124050253 /nfs/dbraw/zinc/05/02/53/1124050253.db2.gz ZVQYCCDTFMESHH-YJBOKZPZSA-N 0 1 299.439 3.876 20 0 CHADMN CCCCc1noc(CN(C)[C@H]2CCCC[C@@H]2CC)n1 ZINC000444673121 1124051665 /nfs/dbraw/zinc/05/16/65/1124051665.db2.gz HYEHGGIKEUKELV-KBPBESRZSA-N 0 1 279.428 3.813 20 0 CHADMN Cc1nnsc1CN[C@@H]1CCc2cccc3cccc1c32 ZINC000866366185 1124058033 /nfs/dbraw/zinc/05/80/33/1124058033.db2.gz YEMDKATWHQVUCS-OAHLLOKOSA-N 0 1 295.411 3.777 20 0 CHADMN C[C@H]1C[C@H](N[C@H]2c3cc(F)ccc3CC[C@H]2C)c2nccn21 ZINC000866367764 1124058491 /nfs/dbraw/zinc/05/84/91/1124058491.db2.gz OPXIHFKFIYHNBX-FCLUMBPUSA-N 0 1 299.393 3.941 20 0 CHADMN CCc1nc(CN[C@H](C)CCc2c[nH]c3ccccc23)co1 ZINC000866370764 1124059535 /nfs/dbraw/zinc/05/95/35/1124059535.db2.gz CNZAAHLNKORBAY-CYBMUJFWSA-N 0 1 297.402 3.829 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2ncc(C(C)(C)C)o2)C1 ZINC000444752786 1124060541 /nfs/dbraw/zinc/06/05/41/1124060541.db2.gz WDXXWTDPJPGXAY-ZDUSSCGKSA-N 0 1 264.413 3.840 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2nc(-c3ccsc3)no2)C1 ZINC000444774067 1124062345 /nfs/dbraw/zinc/06/23/45/1124062345.db2.gz UQXIFUDUGHYELV-GFCCVEGCSA-N 0 1 291.420 3.666 20 0 CHADMN CCc1ccccc1NC(=O)CN1CCC[C@H](C(C)C)C1 ZINC000444769326 1124063269 /nfs/dbraw/zinc/06/32/69/1124063269.db2.gz HYKOLDQDWQKCDM-INIZCTEOSA-N 0 1 288.435 3.556 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3F)[nH]n2)o1 ZINC000195601637 1124066505 /nfs/dbraw/zinc/06/65/05/1124066505.db2.gz PDTJHZNZVBQSOK-UHFFFAOYSA-N 0 1 299.305 3.678 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccnc(Cl)c1 ZINC000866449775 1124067121 /nfs/dbraw/zinc/06/71/21/1124067121.db2.gz HOUSHOIZSBOOLR-ZMLRMANQSA-N 0 1 256.752 3.666 20 0 CHADMN Cc1nccnc1CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000621333806 1129164175 /nfs/dbraw/zinc/16/41/75/1129164175.db2.gz RJCYRBNOQRHKBC-QGZVFWFLSA-N 0 1 285.366 3.555 20 0 CHADMN CCC[C@H](NCc1ccnc(F)c1)c1ccsc1 ZINC000866473538 1124069850 /nfs/dbraw/zinc/06/98/50/1124069850.db2.gz FXMSZXXAYHHVFG-ZDUSSCGKSA-N 0 1 264.369 3.913 20 0 CHADMN C[C@H](NCc1ccnc(F)c1)c1csc(Cl)c1 ZINC000866474602 1124070225 /nfs/dbraw/zinc/07/02/25/1124070225.db2.gz NNDISYHYBJYBBE-QMMMGPOBSA-N 0 1 270.760 3.786 20 0 CHADMN Cc1ccccc1[C@@H](CC(C)C)NCc1nccnc1C ZINC000621335658 1129164369 /nfs/dbraw/zinc/16/43/69/1129164369.db2.gz UWGCWMBEZYOIPH-QGZVFWFLSA-N 0 1 283.419 3.970 20 0 CHADMN CS[C@H]1C[C@H](N[C@@H](C)c2csc(C(C)C)n2)C1 ZINC000866488985 1124072409 /nfs/dbraw/zinc/07/24/09/1124072409.db2.gz ZWDZDBLDUWVPLL-DCAQKATOSA-N 0 1 270.467 3.811 20 0 CHADMN CCSc1ccc([C@H](C)NCc2nccnc2C)cc1 ZINC000621333908 1129164499 /nfs/dbraw/zinc/16/44/99/1129164499.db2.gz WKIJDEFZSDIZBS-LBPRGKRZSA-N 0 1 287.432 3.748 20 0 CHADMN Fc1cccc2c1SCC[C@H]2N[C@@H]1C[C@H]1C(F)(F)F ZINC000866500986 1124073418 /nfs/dbraw/zinc/07/34/18/1124073418.db2.gz WXWWTFXVWXMSRE-FBIMIBRVSA-N 0 1 291.313 3.903 20 0 CHADMN CCC(CC)(CN[C@H]1C[C@H](C)n2ccnc21)C(F)(F)F ZINC000866506292 1124074835 /nfs/dbraw/zinc/07/48/35/1124074835.db2.gz HLIARNSIHBDDRT-QWRGUYRKSA-N 0 1 289.345 3.847 20 0 CHADMN CC(C)CCN[C@@H](CO)c1c(Cl)cccc1Cl ZINC000475627579 1124082332 /nfs/dbraw/zinc/08/23/32/1124082332.db2.gz PUVJRHQDSVBKDA-LBPRGKRZSA-N 0 1 276.207 3.663 20 0 CHADMN CCOc1ccc([C@H](C)NCc2cc(C)co2)cc1 ZINC000718069257 1129165329 /nfs/dbraw/zinc/16/53/29/1129165329.db2.gz CCHRLTGWBSJCLU-ZDUSSCGKSA-N 0 1 259.349 3.838 20 0 CHADMN C[C@@H](N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(F)cn1 ZINC000866607719 1124086669 /nfs/dbraw/zinc/08/66/69/1124086669.db2.gz BIZNFXLBHIFPHU-IRUJWGPZSA-N 0 1 288.288 3.768 20 0 CHADMN C[C@H]1Cc2ccccc2[C@@H]1NCc1noc2cc(F)ccc12 ZINC000866611132 1124087625 /nfs/dbraw/zinc/08/76/25/1124087625.db2.gz QSPNPHYEFIRRDP-BBATYDOGSA-N 0 1 296.345 3.990 20 0 CHADMN Fc1cc(C2CC2)ccc1N[C@H]1CCCc2[nH]ncc21 ZINC000866610343 1124087924 /nfs/dbraw/zinc/08/79/24/1124087924.db2.gz ZSTWOBCKSIQVFM-AWEZNQCLSA-N 0 1 271.339 3.916 20 0 CHADMN C[C@@H](N[C@H](C)c1ccnn1C)c1csc(Cl)c1 ZINC000866613955 1124088296 /nfs/dbraw/zinc/08/82/96/1124088296.db2.gz KDGXXLCPANTCAV-RKDXNWHRSA-N 0 1 269.801 3.547 20 0 CHADMN CC(C)c1nc([C@H](C)NCC[C@@H](O)C2CCCC2)cs1 ZINC000866639091 1124092863 /nfs/dbraw/zinc/09/28/63/1124092863.db2.gz WHFRHZKLCQDIHJ-SWLSCSKDSA-N 0 1 296.480 3.858 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1nccc2ccccc21 ZINC000631753657 1124093777 /nfs/dbraw/zinc/09/37/77/1124093777.db2.gz QFQWVFFDLSQYGW-OASPWFOLSA-N 0 1 280.293 3.836 20 0 CHADMN Fc1ccccc1-c1n[nH]c(SC2CCCC2)n1 ZINC000508537598 1124096020 /nfs/dbraw/zinc/09/60/20/1124096020.db2.gz IZZXBZHFLLZNIM-UHFFFAOYSA-N 0 1 263.341 3.646 20 0 CHADMN CN(Cc1ccn(-c2ccccc2F)n1)C[C@@H]1CC=CCC1 ZINC000445769521 1124098520 /nfs/dbraw/zinc/09/85/20/1124098520.db2.gz VKDNZRVPSGSHGI-OAHLLOKOSA-N 0 1 299.393 3.800 20 0 CHADMN CCCc1ccc(CN[C@@H](CO)c2ccsc2)s1 ZINC000621345186 1129166094 /nfs/dbraw/zinc/16/60/94/1129166094.db2.gz FQMSPCLFICWXAK-AWEZNQCLSA-N 0 1 281.446 3.585 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1ccn(-c2ccccc2F)n1 ZINC000445814864 1124102094 /nfs/dbraw/zinc/10/20/94/1124102094.db2.gz DCKZDGFNPPYDAI-OKILXGFUSA-N 0 1 287.382 3.774 20 0 CHADMN CC(C)[C@H](CC(F)(F)F)NCc1ccn(C(C)C)n1 ZINC000445878523 1124104683 /nfs/dbraw/zinc/10/46/83/1124104683.db2.gz TUVBSXILVSXXSS-LBPRGKRZSA-N 0 1 277.334 3.531 20 0 CHADMN c1nc2c(s1)CN([C@H]1CCCc3ccccc31)CC2 ZINC000445874391 1124105803 /nfs/dbraw/zinc/10/58/03/1124105803.db2.gz JHCQYUXBUHIVOY-HNNXBMFYSA-N 0 1 270.401 3.579 20 0 CHADMN CC(C)[C@@H](CC(F)(F)F)NCc1nc2ccccc2o1 ZINC000445882605 1124105972 /nfs/dbraw/zinc/10/59/72/1124105972.db2.gz BUMJZCARRVCVCF-LLVKDONJSA-N 0 1 286.297 3.894 20 0 CHADMN CCCc1nc(C)c(CN2C[C@@H](C)C[C@@H]2c2cccnc2)o1 ZINC000428430474 1124108797 /nfs/dbraw/zinc/10/87/97/1124108797.db2.gz MVRYOIMTTJDUOH-XJKSGUPXSA-N 0 1 299.418 3.914 20 0 CHADMN CSc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000524727282 1124110520 /nfs/dbraw/zinc/11/05/20/1124110520.db2.gz RFYLSAWVXNDYOJ-UHFFFAOYSA-N 0 1 260.149 3.500 20 0 CHADMN Cc1ccc(-c2nc(CN3C[C@@H]4[C@H](C3)C4(C)C)co2)cc1 ZINC000525123931 1124115845 /nfs/dbraw/zinc/11/58/45/1124115845.db2.gz SGBKWEBYKVDXQG-IYBDPMFKSA-N 0 1 282.387 3.738 20 0 CHADMN Cc1cc(C(=O)CN2CC[C@H](C(C)C)C2)c(C)n1C1CC1 ZINC000446733518 1124119066 /nfs/dbraw/zinc/11/90/66/1124119066.db2.gz FGFMXUNQEGAHER-HNNXBMFYSA-N 0 1 288.435 3.600 20 0 CHADMN CC(C)[C@H]1CCN(Cc2cc(-c3cccs3)on2)C1 ZINC000446732967 1124119362 /nfs/dbraw/zinc/11/93/62/1124119362.db2.gz YAGUFYAXDAVREJ-LBPRGKRZSA-N 0 1 276.405 3.881 20 0 CHADMN CCc1ccccc1NC(=O)CN1CCC(CC)(CC)C1 ZINC000446736005 1124119947 /nfs/dbraw/zinc/11/99/47/1124119947.db2.gz MXTNLKBSZHWWKF-UHFFFAOYSA-N 0 1 288.435 3.700 20 0 CHADMN CC(C)[C@@H]1CCN([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000446718633 1124120210 /nfs/dbraw/zinc/12/02/10/1124120210.db2.gz ZNHPZRZRWJAGEM-GOEBONIOSA-N 0 1 299.418 3.699 20 0 CHADMN CC(C)[C@@H]1CCN(Cc2coc(-c3cccs3)n2)C1 ZINC000446724109 1124120479 /nfs/dbraw/zinc/12/04/79/1124120479.db2.gz BJBZUYKTCXCVQY-GFCCVEGCSA-N 0 1 276.405 3.881 20 0 CHADMN C=Cn1cc(CN2[C@H](C)Cc3cc(OC)ccc3[C@H]2C)cn1 ZINC000446757747 1124122167 /nfs/dbraw/zinc/12/21/67/1124122167.db2.gz CVXFVWKHNBAXFE-ZIAGYGMSSA-N 0 1 297.402 3.500 20 0 CHADMN CC(C)N(Cc1nnc(C2CC2)n1C1CC1)CC1CCC1 ZINC000193209878 1124124120 /nfs/dbraw/zinc/12/41/20/1124124120.db2.gz TYWBDUVKLDFLCI-UHFFFAOYSA-N 0 1 288.439 3.501 20 0 CHADMN Cn1c2cc(Cl)ccc2nc1CN1CCCC12CCC2 ZINC000446829331 1124124199 /nfs/dbraw/zinc/12/41/99/1124124199.db2.gz GOEQYMVEWZOYGR-UHFFFAOYSA-N 0 1 289.810 3.745 20 0 CHADMN Fc1cc(CN2CCCC23CCC3)cc(F)c1F ZINC000446841210 1124125662 /nfs/dbraw/zinc/12/56/62/1124125662.db2.gz NCZXABZDPJZASO-UHFFFAOYSA-N 0 1 255.283 3.622 20 0 CHADMN CO[C@@]1(C)C[C@@H](NCc2nc(C(C)(C)C)cs2)C1(C)C ZINC000446964874 1124129281 /nfs/dbraw/zinc/12/92/81/1124129281.db2.gz DDWOMKBQZIJEMF-BZNIZROVSA-N 0 1 296.480 3.734 20 0 CHADMN Cc1cnc([C@H](C)N(C)CCCOc2ccccc2C)cn1 ZINC000428459636 1124129418 /nfs/dbraw/zinc/12/94/18/1124129418.db2.gz FSILEJGMUZDUDK-INIZCTEOSA-N 0 1 299.418 3.555 20 0 CHADMN O=C(NOCc1ccc(F)cc1)[C@H](c1ccccc1)C1CC1 ZINC000184137678 1129170464 /nfs/dbraw/zinc/17/04/64/1129170464.db2.gz JOIDLJPUWYCEBF-QGZVFWFLSA-N 0 1 299.345 3.567 20 0 CHADMN CCc1cc(CN2CC[C@@H](OC(C)C)C2)ccc1Cl ZINC001237740794 1129172338 /nfs/dbraw/zinc/17/23/38/1129172338.db2.gz XCRCGQJHVVBLJS-OAHLLOKOSA-N 0 1 281.827 3.902 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@](C)(O)CC1 ZINC001238781902 1131245715 /nfs/dbraw/zinc/24/57/15/1131245715.db2.gz WNGLQNPRSMFJCS-HNNXBMFYSA-N 0 1 285.790 3.524 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CCC[C@](C)(O)CC1 ZINC001238781902 1131245719 /nfs/dbraw/zinc/24/57/19/1131245719.db2.gz WNGLQNPRSMFJCS-HNNXBMFYSA-N 0 1 285.790 3.524 20 0 CHADMN CC[N@@H+](Cc1cc(F)cc(C)c1Cl)C1CCOCC1 ZINC001238781114 1131246624 /nfs/dbraw/zinc/24/66/24/1131246624.db2.gz KOXQTYRJROIFRK-UHFFFAOYSA-N 0 1 285.790 3.788 20 0 CHADMN CCO[C@@H]1CCCN(Cc2c(C)cc(F)cc2Cl)C1 ZINC001238785828 1131248231 /nfs/dbraw/zinc/24/82/31/1131248231.db2.gz ULXXBKNHMJHLFM-CYBMUJFWSA-N 0 1 285.790 3.788 20 0 CHADMN C[C@H](NCc1csnn1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001119304856 1131250169 /nfs/dbraw/zinc/25/01/69/1131250169.db2.gz ZJYLXSFIHVZMEM-UJNFCWOMSA-N 0 1 299.852 3.535 20 0 CHADMN C[C@@H](NCc1csnn1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001119304855 1131250317 /nfs/dbraw/zinc/25/03/17/1131250317.db2.gz ZJYLXSFIHVZMEM-FKTZTGRPSA-N 0 1 299.852 3.535 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)C(F)=C1CCC1 ZINC000819532599 1131252928 /nfs/dbraw/zinc/25/29/28/1131252928.db2.gz AJVIBSBDJPNVAH-UHFFFAOYSA-N 0 1 273.666 3.531 20 0 CHADMN Clc1cccc2c1C[C@H](N1CCc3ccncc3C1)CC2 ZINC001170934910 1131258524 /nfs/dbraw/zinc/25/85/24/1131258524.db2.gz NZJDQFBOOLHJTN-MRXNPFEDSA-N 0 1 298.817 3.651 20 0 CHADMN Cc1occc1CN(C)Cc1cccc2c1NCCC2 ZINC001119446106 1131255072 /nfs/dbraw/zinc/25/50/72/1131255072.db2.gz QTMIVPLOVZKNSV-UHFFFAOYSA-N 0 1 270.376 3.578 20 0 CHADMN CCC(=CC(=O)Nc1ccccc1Nc1ccncc1)CC ZINC000819579228 1131255426 /nfs/dbraw/zinc/25/54/26/1131255426.db2.gz BRJWCFRXFXUOQP-UHFFFAOYSA-N 0 1 295.386 3.932 20 0 CHADMN CSc1ccc(CN(C)Cc2cc(C(C)(C)C)[nH]n2)o1 ZINC001119513698 1131257088 /nfs/dbraw/zinc/25/70/88/1131257088.db2.gz UBKBTWLXGPUMHW-UHFFFAOYSA-N 0 1 293.436 3.654 20 0 CHADMN O=C(Nc1ccc2ccccc2n1)c1ccc(Cl)c(O)c1 ZINC001136248043 1131258474 /nfs/dbraw/zinc/25/84/74/1131258474.db2.gz WFIKSOSZBWOIAQ-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000525636674 1124451163 /nfs/dbraw/zinc/45/11/63/1124451163.db2.gz HYNYSINSEWBFDC-GARJFASQSA-N 0 1 251.320 3.614 20 0 CHADMN CCN(Cc1ccccc1C)[C@H](C)c1cnc(C)cn1 ZINC000428482952 1124471225 /nfs/dbraw/zinc/47/12/25/1124471225.db2.gz ITNXMPREOASXNQ-OAHLLOKOSA-N 0 1 269.392 3.677 20 0 CHADMN Cc1ccc(N[C@@H](C)CSC(C)(C)C)c(N(C)C)n1 ZINC000777275913 1124485304 /nfs/dbraw/zinc/48/53/04/1124485304.db2.gz PEHQYTIBPADOHP-LBPRGKRZSA-N 0 1 281.469 3.788 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@]34C[C@H]3CCCC4)c2C)o1 ZINC000868859598 1124487964 /nfs/dbraw/zinc/48/79/64/1124487964.db2.gz SSWPZQIYTQNDIP-SJKOYZFVSA-N 0 1 299.374 3.805 20 0 CHADMN Cc1ncc(CN(Cc2cccc(Cl)c2)C(C)C)cn1 ZINC000339083277 1124488708 /nfs/dbraw/zinc/48/87/08/1124488708.db2.gz JJLWKDBKYSUNMS-UHFFFAOYSA-N 0 1 289.810 3.849 20 0 CHADMN FC1(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000525978170 1124490253 /nfs/dbraw/zinc/49/02/53/1124490253.db2.gz DKRQXESZTVQQBB-GFCCVEGCSA-N 0 1 294.439 3.703 20 0 CHADMN CC[C@@H](N[C@@H](C)c1snnc1C)c1ccc(OC)cc1 ZINC001119767928 1131263647 /nfs/dbraw/zinc/26/36/47/1131263647.db2.gz BVGFJYURKWOLSQ-IINYFYTJSA-N 0 1 291.420 3.657 20 0 CHADMN Cc1cn(C)nc1CN[C@@H](C)c1csc2ccccc12 ZINC001119813681 1131264317 /nfs/dbraw/zinc/26/43/17/1131264317.db2.gz XYWGEFAMEYSUNU-LBPRGKRZSA-N 0 1 285.416 3.794 20 0 CHADMN Cc1ccc(CN2CCC[C@H](n3cccn3)C2)cc1Cl ZINC000447731140 1124513981 /nfs/dbraw/zinc/51/39/81/1124513981.db2.gz METQCDPUQQIRMZ-HNNXBMFYSA-N 0 1 289.810 3.682 20 0 CHADMN COc1cc(CN2CCc3ccsc3C2)ccc1C ZINC000447734211 1124516393 /nfs/dbraw/zinc/51/63/93/1124516393.db2.gz UMAUQBWBLPVPOH-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN Fc1ccc2nc([C@H]3CCCN(CC4(F)CC4)C3)oc2c1 ZINC000526972259 1124533014 /nfs/dbraw/zinc/53/30/14/1124533014.db2.gz MBNQGQCGCZYWAE-NSHDSACASA-N 0 1 292.329 3.648 20 0 CHADMN FC1(CN2CCC[C@@H](c3nc4ccccc4s3)C2)CC1 ZINC000526969873 1124533985 /nfs/dbraw/zinc/53/39/85/1124533985.db2.gz GULWCIZWRJBEJE-GFCCVEGCSA-N 0 1 290.407 3.978 20 0 CHADMN COc1cc(CN[C@@H]2COc3c2ccc(C)c3C)ccc1C ZINC000447838617 1124534232 /nfs/dbraw/zinc/53/42/32/1124534232.db2.gz CGIXFXPICMLIKI-QGZVFWFLSA-N 0 1 297.398 3.844 20 0 CHADMN CN(CCOc1ccc(C(F)(F)F)cc1)CC1(F)CC1 ZINC000526988690 1124538655 /nfs/dbraw/zinc/53/86/55/1124538655.db2.gz ZPWXTTOCTMMBEX-UHFFFAOYSA-N 0 1 291.288 3.518 20 0 CHADMN C[C@H]1C[C@H](C)N1Cc1cnc(C2CCCC2)s1 ZINC000526989532 1124539142 /nfs/dbraw/zinc/53/91/42/1124539142.db2.gz OEIGYRDHWYNPCF-QWRGUYRKSA-N 0 1 250.411 3.783 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1cc(OC(C)C)cnc1F ZINC001238893673 1131267529 /nfs/dbraw/zinc/26/75/29/1131267529.db2.gz VGQHJDBQSBYTFA-UHFFFAOYSA-N 0 1 285.322 3.860 20 0 CHADMN CC(C)Oc1cnc(F)c(-c2ccc3[nH]cnc3c2)c1 ZINC001238893477 1131267644 /nfs/dbraw/zinc/26/76/44/1131267644.db2.gz OYMOHYICILPYIL-UHFFFAOYSA-N 0 1 271.295 3.551 20 0 CHADMN CN(Cc1ccn(-c2ccccc2F)n1)C1CCCCC1 ZINC000527075485 1124548279 /nfs/dbraw/zinc/54/82/79/1124548279.db2.gz YFQWMPCCIXSTID-UHFFFAOYSA-N 0 1 287.382 3.776 20 0 CHADMN Cc1ccc([C@@H](NCc2ccn(C)n2)C2CCCC2)cc1 ZINC000527109795 1124548716 /nfs/dbraw/zinc/54/87/16/1124548716.db2.gz PNYNTLMNBDTTED-SFHVURJKSA-N 0 1 283.419 3.750 20 0 CHADMN CC(=O)[C@@H]1CCCCN1[C@H]1CCc2cccc(Cl)c2C1 ZINC001170940990 1131269099 /nfs/dbraw/zinc/26/90/99/1131269099.db2.gz BUGMVCAYCHQBKQ-YOEHRIQHSA-N 0 1 291.822 3.641 20 0 CHADMN Clc1sccc1NCc1ccc2nc[nH]c2c1 ZINC000527327538 1124569794 /nfs/dbraw/zinc/56/97/94/1124569794.db2.gz NMXFTBCOJCZELA-UHFFFAOYSA-N 0 1 263.753 3.890 20 0 CHADMN CC(=O)[C@H]1CCCCN1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170940988 1131269716 /nfs/dbraw/zinc/26/97/16/1131269716.db2.gz BUGMVCAYCHQBKQ-RHSMWYFYSA-N 0 1 291.822 3.641 20 0 CHADMN COc1ccccc1[C@H](CC(C)C)N[C@@H](C)c1ccnnc1 ZINC000925209904 1124578390 /nfs/dbraw/zinc/57/83/90/1124578390.db2.gz UOVYNZMHNKYIFG-YOEHRIQHSA-N 0 1 299.418 3.923 20 0 CHADMN CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000448623281 1124600032 /nfs/dbraw/zinc/60/00/32/1124600032.db2.gz CURYCYDDLGGNCS-VIFPVBQESA-N 0 1 299.296 3.788 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@]3(C)CCC[C@H]3C)cc2[nH]1 ZINC000448625362 1124600294 /nfs/dbraw/zinc/60/02/94/1124600294.db2.gz NESCMXBQANYJMM-HWPZZCPQSA-N 0 1 271.364 3.636 20 0 CHADMN CCCCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(C)(C)C ZINC000820023026 1131272599 /nfs/dbraw/zinc/27/25/99/1131272599.db2.gz MONKAZLIDVWBPC-UMVBOHGHSA-N 0 1 291.439 3.624 20 0 CHADMN COc1cccc2c(CN3CCO[C@H]4CCC[C@@H]43)cccc12 ZINC000449019424 1124629658 /nfs/dbraw/zinc/62/96/58/1124629658.db2.gz WIFKAOKHWLDZPR-HKUYNNGSSA-N 0 1 297.398 3.602 20 0 CHADMN Cc1cccc(CCN2CCO[C@H](c3cccs3)C2)c1 ZINC000449014910 1124629707 /nfs/dbraw/zinc/62/97/07/1124629707.db2.gz ASXFMQKZOZJGMO-INIZCTEOSA-N 0 1 287.428 3.673 20 0 CHADMN COCCN(Cc1csc(C)c1)Cc1cccs1 ZINC000449008223 1124631601 /nfs/dbraw/zinc/63/16/01/1124631601.db2.gz OWDUXZFAHGTMIO-UHFFFAOYSA-N 0 1 281.446 3.767 20 0 CHADMN COc1cc(C)ccc1CN1CCC[C@H](C(F)(F)F)C1 ZINC000449008539 1124633541 /nfs/dbraw/zinc/63/35/41/1124633541.db2.gz QMKIHBKIMLLZCS-ZDUSSCGKSA-N 0 1 287.325 3.778 20 0 CHADMN CCn1nnc(C)c1C[N@H+]1CCCC2(C1)CCCCCC2 ZINC000449036199 1124636625 /nfs/dbraw/zinc/63/66/25/1124636625.db2.gz JHTRIYMRSGQXMP-UHFFFAOYSA-N 0 1 290.455 3.543 20 0 CHADMN Cc1cc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)cs1 ZINC000449034933 1124637165 /nfs/dbraw/zinc/63/71/65/1124637165.db2.gz LKNZEIJFKFVKTG-QGZVFWFLSA-N 0 1 287.428 3.538 20 0 CHADMN COc1nccnc1CN(C)[C@@H](c1ccccc1C)C(C)C ZINC000449037245 1124637561 /nfs/dbraw/zinc/63/75/61/1124637561.db2.gz XYGMRBNYLRRZGY-QGZVFWFLSA-N 0 1 299.418 3.623 20 0 CHADMN Cn1cccc1[C@@H]1CCCCN1Cc1cc2cccnc2o1 ZINC000449038430 1124638596 /nfs/dbraw/zinc/63/85/96/1124638596.db2.gz UMWWWFHUQZMBDU-KRWDZBQOSA-N 0 1 295.386 3.894 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1ccnn1C1CCCC1 ZINC000449050020 1124641688 /nfs/dbraw/zinc/64/16/88/1124641688.db2.gz SRJLLPUSGPNVCP-AWEZNQCLSA-N 0 1 295.496 3.962 20 0 CHADMN Fc1cnccc1CN[C@@H](c1cccs1)C1CC1 ZINC000449073658 1124645110 /nfs/dbraw/zinc/64/51/10/1124645110.db2.gz SWMPTGRFRGPWFB-CQSZACIVSA-N 0 1 262.353 3.523 20 0 CHADMN CC(C)Cn1ccnc1NCc1cccc2ncccc12 ZINC000871864600 1124648989 /nfs/dbraw/zinc/64/89/89/1124648989.db2.gz GHBLXWKMRMMCSK-UHFFFAOYSA-N 0 1 280.375 3.699 20 0 CHADMN CC[C@@H](CNCc1ncc(C)s1)Oc1cccc(C)c1 ZINC000449091396 1124649142 /nfs/dbraw/zinc/64/91/42/1124649142.db2.gz QIFATZOBQOMHPH-AWEZNQCLSA-N 0 1 290.432 3.707 20 0 CHADMN COc1ccc([C@@H]2CC[N@@H+](C/C=C(\C)Cl)C2)cc1 ZINC000528369227 1124649460 /nfs/dbraw/zinc/64/94/60/1124649460.db2.gz ZHMNFHRSNVXESG-WEKMIXOTSA-N 0 1 265.784 3.627 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccnc1)c1ccc(C(F)(F)F)nc1 ZINC000871935154 1124653507 /nfs/dbraw/zinc/65/35/07/1124653507.db2.gz RTRCKSSNXJXEPF-WDEREUQCSA-N 0 1 295.308 3.907 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(C(F)(F)F)nc1)c1cccnc1 ZINC000871937077 1124653642 /nfs/dbraw/zinc/65/36/42/1124653642.db2.gz RTRCKSSNXJXEPF-QWRGUYRKSA-N 0 1 295.308 3.907 20 0 CHADMN CC(C)[C@@H]1CCc2[nH]n(-c3ccnc(Cl)c3)c(=O)c2C1 ZINC000871953156 1124654009 /nfs/dbraw/zinc/65/40/09/1124654009.db2.gz DDJUAYVRTRZBHJ-PWSUYJOCSA-N 0 1 291.782 3.510 20 0 CHADMN CC(C)[C@H]1CCC2=NN(c3cccc(Cl)n3)C(=O)[C@@H]2C1 ZINC000871950481 1124654406 /nfs/dbraw/zinc/65/44/06/1124654406.db2.gz GGXOHGRXKLYTJA-WDEREUQCSA-N 0 1 291.782 3.510 20 0 CHADMN CC1(C)CC[C@@H]2C(=O)N(c3ccnc4ccccc43)N=C2C1 ZINC000871951268 1124654511 /nfs/dbraw/zinc/65/45/11/1124654511.db2.gz ODKMNAHKXGWLII-ZDUSSCGKSA-N 0 1 293.370 3.764 20 0 CHADMN CC1(C)CCc2c([nH]n(-c3ccnc4ccccc43)c2=O)C1 ZINC000871951268 1124654512 /nfs/dbraw/zinc/65/45/12/1124654512.db2.gz ODKMNAHKXGWLII-ZDUSSCGKSA-N 0 1 293.370 3.764 20 0 CHADMN O=c1cc(C2CCCC2)[nH]n1-c1ccnc2ccccc21 ZINC000871952093 1124654691 /nfs/dbraw/zinc/65/46/91/1124654691.db2.gz XXPSDVHJHBDMAS-UHFFFAOYSA-N 0 1 279.343 3.518 20 0 CHADMN C[C@@H]1CCN(Cc2ncccc2Cl)CC12CCC2 ZINC000528430628 1124660383 /nfs/dbraw/zinc/66/03/83/1124660383.db2.gz KLIZGGQLIGHKTN-GFCCVEGCSA-N 0 1 264.800 3.747 20 0 CHADMN Cc1cc(CN[C@H]2CC(C)(C)Sc3ccccc32)[nH]n1 ZINC000872038486 1124663624 /nfs/dbraw/zinc/66/36/24/1124663624.db2.gz OCFIWFCQJPYDNN-AWEZNQCLSA-N 0 1 287.432 3.823 20 0 CHADMN COCc1ccc([C@H]2CCCN2C/C=C(\C)Cl)o1 ZINC000528449727 1124671673 /nfs/dbraw/zinc/67/16/73/1124671673.db2.gz DQRYGHXHBKFYNG-SVTZGKHISA-N 0 1 269.772 3.706 20 0 CHADMN C[C@H](NCC1(C(F)(F)F)CC1)c1cc(O)ccc1F ZINC000872071298 1124674235 /nfs/dbraw/zinc/67/42/35/1124674235.db2.gz NDAYZRWPOJFHSB-QMMMGPOBSA-N 0 1 277.261 3.524 20 0 CHADMN COC[C@@H]1CCCCN1Cc1nc2cc(C)ccc2s1 ZINC000528515424 1124681761 /nfs/dbraw/zinc/68/17/61/1124681761.db2.gz GKPMIODLVWNDAL-ZDUSSCGKSA-N 0 1 290.432 3.606 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CCN1Cc1ccncc1F ZINC000449299662 1124685613 /nfs/dbraw/zinc/68/56/13/1124685613.db2.gz BKDYMWVNMKLSGB-ZBFHGGJFSA-N 0 1 284.378 3.989 20 0 CHADMN COc1cc(C)ccc1CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000449295852 1124685781 /nfs/dbraw/zinc/68/57/81/1124685781.db2.gz VRJKQHLIRSSAKD-YPMHNXCESA-N 0 1 287.325 3.776 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)N[C@@H](C)c1nccnc1C ZINC000872130452 1124690646 /nfs/dbraw/zinc/69/06/46/1124690646.db2.gz IBHRAEWSIUSTNR-YPMHNXCESA-N 0 1 273.355 3.644 20 0 CHADMN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1cccc(C)c1F ZINC000449333066 1124691975 /nfs/dbraw/zinc/69/19/75/1124691975.db2.gz UMMIDKPQUUUWQH-OAHLLOKOSA-N 0 1 287.382 3.811 20 0 CHADMN Cc1nc([C@H](C)NC2CC(Nc3ccccc3)C2)cs1 ZINC000872133663 1124692624 /nfs/dbraw/zinc/69/26/24/1124692624.db2.gz OFYXDLCVNQSIIX-QGLTVNCISA-N 0 1 287.432 3.745 20 0 CHADMN CCc1nnc(CN[C@H]2CC[C@H](CCC(C)C)C2)s1 ZINC000449338903 1124693673 /nfs/dbraw/zinc/69/36/73/1124693673.db2.gz SVLMBGPNQCAKSY-STQMWFEESA-N 0 1 281.469 3.795 20 0 CHADMN COCCC1CCN(Cc2ccc(Cl)cc2OC)CC1 ZINC000528577478 1124694683 /nfs/dbraw/zinc/69/46/83/1124694683.db2.gz NEYJGTQBLQQRBF-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN C[C@H]1CN(Cc2cc3cccnc3o2)Cc2ccccc2O1 ZINC000449341116 1124694775 /nfs/dbraw/zinc/69/47/75/1124694775.db2.gz RTUGUTQTCMCIAI-ZDUSSCGKSA-N 0 1 294.354 3.611 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])cs2)[C@@H]2CCCC[C@@H]12 ZINC000872157136 1124696057 /nfs/dbraw/zinc/69/60/57/1124696057.db2.gz LPJWNDDAVHPPRU-BYCMXARLSA-N 0 1 293.432 3.847 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)C)cc1C(=O)[O-] ZINC000872158633 1124696521 /nfs/dbraw/zinc/69/65/21/1124696521.db2.gz HJBRPPQZEMVQLW-OAHLLOKOSA-N 0 1 275.392 3.704 20 0 CHADMN CC(C)CC[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000872159127 1124696600 /nfs/dbraw/zinc/69/66/00/1124696600.db2.gz NZVDURGTMICIOZ-CYBMUJFWSA-N 0 1 281.421 3.847 20 0 CHADMN C[C@H](C[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)[O-])CC(C)(C)C ZINC000872159380 1124697040 /nfs/dbraw/zinc/69/70/40/1124697040.db2.gz FQGYJWYEFIQUBJ-HOCLYGCPSA-N 0 1 291.435 3.686 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@H+](C)[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC000872162165 1124697358 /nfs/dbraw/zinc/69/73/58/1124697358.db2.gz KTPQCFRXVZALKR-IYBDPMFKSA-N 0 1 297.398 3.752 20 0 CHADMN C[C@H](C[N@@H+](CC(=O)[O-])C1CCCCC1)CC(C)(C)C ZINC000872159852 1124697395 /nfs/dbraw/zinc/69/73/95/1124697395.db2.gz QXVCAJCHBPRTHO-ZDUSSCGKSA-N 0 1 269.429 3.778 20 0 CHADMN Fc1ccc(F)c(CN2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872260075 1124699231 /nfs/dbraw/zinc/69/92/31/1124699231.db2.gz IBAQBBFFRVMBAP-MRXNPFEDSA-N 0 1 295.373 3.888 20 0 CHADMN Clc1ccc(CN2CCC[C@H](OC3CCC3)CC2)cn1 ZINC000872262239 1124700535 /nfs/dbraw/zinc/70/05/35/1124700535.db2.gz VQCJAMNUBNYESY-HNNXBMFYSA-N 0 1 294.826 3.659 20 0 CHADMN Clc1ccc(CN2CCC[C@H](OC3CCC3)CC2)nc1 ZINC000872279618 1124701743 /nfs/dbraw/zinc/70/17/43/1124701743.db2.gz FVCUYVBEAQAFIB-INIZCTEOSA-N 0 1 294.826 3.659 20 0 CHADMN C[C@@H]1C[C@H](CN2CCc3c(Cl)cc(F)cc3C2)CCO1 ZINC000449372093 1124704532 /nfs/dbraw/zinc/70/45/32/1124704532.db2.gz CGUZJSZNLZURAQ-VXGBXAGGSA-N 0 1 297.801 3.652 20 0 CHADMN FCC(CF)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000449380905 1124717494 /nfs/dbraw/zinc/71/74/94/1124717494.db2.gz PGBPWUVSOSHRTQ-HUUCEWRRSA-N 0 1 253.336 3.610 20 0 CHADMN COC[C@]1(C)CCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000449398595 1124723617 /nfs/dbraw/zinc/72/36/17/1124723617.db2.gz YFYQXYNGLLPSDV-CQSZACIVSA-N 0 1 288.218 3.852 20 0 CHADMN C[C@@H](CCc1ccc(F)cc1)N[C@@H](C)C(C)(F)F ZINC000449416305 1124724474 /nfs/dbraw/zinc/72/44/74/1124724474.db2.gz SUXZATMMNOODSC-QWRGUYRKSA-N 0 1 259.315 3.780 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cccc(F)c2)c2ccccc2O1 ZINC000449429063 1124735300 /nfs/dbraw/zinc/73/53/00/1124735300.db2.gz WHIZAZQCWNEEGU-MLGOLLRUSA-N 0 1 271.335 3.828 20 0 CHADMN CCC[C@@H](O)CNC1(c2ccc(Cl)cc2Cl)CC1 ZINC001252804120 1124735968 /nfs/dbraw/zinc/73/59/68/1124735968.db2.gz HLHAXDKNRJGXQQ-LLVKDONJSA-N 0 1 288.218 3.733 20 0 CHADMN CS[C@@H]1CCN(Cc2cnc(-c3ccc(C)o3)s2)C1 ZINC000449444796 1124740353 /nfs/dbraw/zinc/74/03/53/1124740353.db2.gz DKPMYFLXDPOXDG-LLVKDONJSA-N 0 1 294.445 3.649 20 0 CHADMN CCCn1nccc1CNCc1ccc(C(C)(C)C)s1 ZINC000873154031 1124742950 /nfs/dbraw/zinc/74/29/50/1124742950.db2.gz PCAQXGIIOFWPSI-UHFFFAOYSA-N 0 1 291.464 3.942 20 0 CHADMN FCC1CCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC000449452091 1124744113 /nfs/dbraw/zinc/74/41/13/1124744113.db2.gz FFLJVELWZZNGKT-UHFFFAOYSA-N 0 1 259.727 3.661 20 0 CHADMN Cc1cc(CN(C)[C@H](CO)c2ccc(Cl)cc2)cs1 ZINC000449452491 1124745547 /nfs/dbraw/zinc/74/55/47/1124745547.db2.gz KYQTVRYEWZYNEX-OAHLLOKOSA-N 0 1 295.835 3.875 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(C(F)(F)F)nc2)ccn1 ZINC000873184194 1124747265 /nfs/dbraw/zinc/74/72/65/1124747265.db2.gz FOZUQIHKGVGVMR-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN Cc1nccnc1[C@@H](C)NC/C=C\c1ccc(Cl)cc1 ZINC000873186963 1124747278 /nfs/dbraw/zinc/74/72/78/1124747278.db2.gz HIKUNQANUUAABO-VSQXVHSFSA-N 0 1 287.794 3.802 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1cccc(Cl)c1C ZINC000873186823 1124747544 /nfs/dbraw/zinc/74/75/44/1124747544.db2.gz XHLZZNXWCVSOHF-LBPRGKRZSA-N 0 1 275.783 3.598 20 0 CHADMN CCn1cc(CN[C@H](c2ccc(F)cc2F)C(C)C)cn1 ZINC000150877626 1124750472 /nfs/dbraw/zinc/75/04/72/1124750472.db2.gz GFVXCNMCTLQDIU-INIZCTEOSA-N 0 1 293.361 3.668 20 0 CHADMN CC[C@](C)(CNCc1csc(-c2ccsc2)n1)OC ZINC000449472245 1124753086 /nfs/dbraw/zinc/75/30/86/1124753086.db2.gz FKISWMZLOZNVKH-CQSZACIVSA-N 0 1 296.461 3.776 20 0 CHADMN CCO[C@@H]1CCN(Cc2c(F)cccc2Cl)C[C@H]1C ZINC000449493574 1124761275 /nfs/dbraw/zinc/76/12/75/1124761275.db2.gz LSHACSJESRMHCU-IAQYHMDHSA-N 0 1 285.790 3.726 20 0 CHADMN CC[C@@H](NCc1cc(N)cc(F)c1)c1ccc(F)cc1F ZINC000873287827 1124761770 /nfs/dbraw/zinc/76/17/70/1124761770.db2.gz LZHODUDUVPNLOH-MRXNPFEDSA-N 0 1 294.320 3.927 20 0 CHADMN CCO[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)C[C@@H]1C ZINC000449494233 1124768454 /nfs/dbraw/zinc/76/84/54/1124768454.db2.gz GIDMOSBHLHGIAJ-XHDPSFHLSA-N 0 1 285.790 3.726 20 0 CHADMN CO[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000449495156 1124771039 /nfs/dbraw/zinc/77/10/39/1124771039.db2.gz HLDDPYVKILAUSV-HZMBPMFUSA-N 0 1 288.218 3.850 20 0 CHADMN COc1cccc(-c2cc(N3CCCC3)ccn2)c1C ZINC001238979399 1131284069 /nfs/dbraw/zinc/28/40/69/1131284069.db2.gz GLKLZEZIHOIUDD-UHFFFAOYSA-N 0 1 268.360 3.666 20 0 CHADMN CC(C(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1)=C1CCCC1 ZINC000820465416 1131289307 /nfs/dbraw/zinc/28/93/07/1131289307.db2.gz LLSNRVUOAVOTSK-UHFFFAOYSA-N 0 1 297.358 3.611 20 0 CHADMN COc1cc(SC)c(-c2cc3nc[nH]c3c(C)c2)cn1 ZINC001239055058 1131296756 /nfs/dbraw/zinc/29/67/56/1131296756.db2.gz YOQCOQWYGVTHIP-UHFFFAOYSA-N 0 1 285.372 3.664 20 0 CHADMN c1ccc2ncc(CN3CCOCC34CCCCC4)cc2c1 ZINC000449624160 1124823119 /nfs/dbraw/zinc/82/31/19/1124823119.db2.gz MSJBXYQOJLPPRL-UHFFFAOYSA-N 0 1 296.414 3.770 20 0 CHADMN Cc1nc[nH]c1C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000874286834 1124824978 /nfs/dbraw/zinc/82/49/78/1124824978.db2.gz QZPFYACAGYQFSE-UHFFFAOYSA-N 0 1 289.404 3.861 20 0 CHADMN CC[C@@H](O)[C@H](CC)NCc1csc(-c2cccs2)n1 ZINC000449638764 1124832650 /nfs/dbraw/zinc/83/26/50/1124832650.db2.gz LYPKXTREBVZIDU-NWDGAFQWSA-N 0 1 296.461 3.511 20 0 CHADMN c1nc(C2CC2)oc1CNCCSCc1ccccc1 ZINC000449709237 1124845713 /nfs/dbraw/zinc/84/57/13/1124845713.db2.gz YJXHMKMIMIXWFB-UHFFFAOYSA-N 0 1 288.416 3.575 20 0 CHADMN CCCCCCOC(=O)Nc1cc([C@@H]2CCCCN2)no1 ZINC001239312302 1131314952 /nfs/dbraw/zinc/31/49/52/1131314952.db2.gz IBZVZLQWCCXRMX-LBPRGKRZSA-N 0 1 295.383 3.618 20 0 CHADMN COc1ccc(F)c(CN[C@@H](C)c2cccc(C)c2)c1 ZINC000449772141 1124865620 /nfs/dbraw/zinc/86/56/20/1124865620.db2.gz GRUPVORPRJKJAA-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N(C)C)cc1-c1ccsc1 ZINC000874908183 1124867937 /nfs/dbraw/zinc/86/79/37/1124867937.db2.gz XHUVCCGAYGIVKR-GFCCVEGCSA-N 0 1 288.416 3.612 20 0 CHADMN COC[C@@H]1CCCN(Cc2ccc(F)cc2Cl)CC1 ZINC000449775648 1124868573 /nfs/dbraw/zinc/86/85/73/1124868573.db2.gz NAPRFYDYHGGFFZ-GFCCVEGCSA-N 0 1 285.790 3.728 20 0 CHADMN Cc1csc(CN2CC3(CCCC3)[C@@H]2C(C)C)n1 ZINC000449792987 1124875371 /nfs/dbraw/zinc/87/53/71/1124875371.db2.gz VHDTXEVGSZEBKO-AWEZNQCLSA-N 0 1 264.438 3.852 20 0 CHADMN OCCC[C@@H]1CCN(Cc2cccc(Cl)c2Cl)C1 ZINC000449792118 1124875486 /nfs/dbraw/zinc/87/54/86/1124875486.db2.gz RPPYZUGRHNLSRW-LLVKDONJSA-N 0 1 288.218 3.588 20 0 CHADMN CCN(Cc1ccc(C)o1)Cc1ccc(OC)c(OC)c1 ZINC000120298284 1124911132 /nfs/dbraw/zinc/91/11/32/1124911132.db2.gz YDNCHTXALDVTMQ-UHFFFAOYSA-N 0 1 289.375 3.627 20 0 CHADMN CC(=O)c1cccc(CN(C)Cc2sccc2C)c1 ZINC000450216202 1124948671 /nfs/dbraw/zinc/94/86/71/1124948671.db2.gz POHXSYMEQOEWME-UHFFFAOYSA-N 0 1 273.401 3.891 20 0 CHADMN CC(=O)c1cccc(CN(C)CCCOc2ccccc2)c1 ZINC000450231285 1124954379 /nfs/dbraw/zinc/95/43/79/1124954379.db2.gz HXXQSPYGJVSUIX-UHFFFAOYSA-N 0 1 297.398 3.790 20 0 CHADMN CC(C)N(Cc1cc2c(cc[nH]c2=O)o1)Cc1ccccc1 ZINC000876509587 1124957346 /nfs/dbraw/zinc/95/73/46/1124957346.db2.gz FHOVHLVFDCOTAK-UHFFFAOYSA-N 0 1 296.370 3.944 20 0 CHADMN CCCN(Cc1ccc(F)cc1)Cc1ccc(Cl)nn1 ZINC000876595209 1124964274 /nfs/dbraw/zinc/96/42/74/1124964274.db2.gz ZCWRKXATDQVHRL-UHFFFAOYSA-N 0 1 293.773 3.681 20 0 CHADMN CCC[C@@H](CC(C)C)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000450296029 1124974563 /nfs/dbraw/zinc/97/45/63/1124974563.db2.gz COOXYGNJXGEILA-STQMWFEESA-N 0 1 294.443 3.568 20 0 CHADMN CCC[C@H](CC(C)C)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000450296026 1124974666 /nfs/dbraw/zinc/97/46/66/1124974666.db2.gz COOXYGNJXGEILA-CHWSQXEVSA-N 0 1 294.443 3.568 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3cc[nH]c3c2)o1 ZINC000529514379 1124977076 /nfs/dbraw/zinc/97/70/76/1124977076.db2.gz CIXPXYAGRYCUEC-UHFFFAOYSA-N 0 1 254.333 3.701 20 0 CHADMN CN(Cc1ccsc1C(F)(F)F)C[C@@H]1CCCCO1 ZINC000529528232 1124981679 /nfs/dbraw/zinc/98/16/79/1124981679.db2.gz XJUCMUXQTWHADH-NSHDSACASA-N 0 1 293.354 3.768 20 0 CHADMN Cc1cccc(OCCCNCc2nc(Cl)cs2)c1 ZINC000876904092 1124988566 /nfs/dbraw/zinc/98/85/66/1124988566.db2.gz SUPGVBRFKRATQJ-UHFFFAOYSA-N 0 1 296.823 3.664 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(Cl)nn2)c(C)s1 ZINC000876914823 1124990056 /nfs/dbraw/zinc/99/00/56/1124990056.db2.gz WISMEBUFXVHQBP-SECBINFHSA-N 0 1 281.812 3.659 20 0 CHADMN CO[C@H]1CCN(Cc2ccsc2C(F)(F)F)[C@@H](C)C1 ZINC000529554118 1124996179 /nfs/dbraw/zinc/99/61/79/1124996179.db2.gz BEILBCOIYXQROQ-ONGXEEELSA-N 0 1 293.354 3.766 20 0 CHADMN C[C@@]1(O)CCCN(Cc2ccsc2C(F)(F)F)CC1 ZINC000529555856 1124997477 /nfs/dbraw/zinc/99/74/77/1124997477.db2.gz IEZMKVCPTJGSKH-GFCCVEGCSA-N 0 1 293.354 3.504 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2ccc(Cl)c(OC)c2)C1 ZINC000450409079 1125009707 /nfs/dbraw/zinc/00/97/07/1125009707.db2.gz WYVHLQKKNLAMCX-CQSZACIVSA-N 0 1 297.826 3.597 20 0 CHADMN COC1(CN[C@@H](c2cccc(C)c2)c2ccccn2)CCC1 ZINC000877122881 1125011942 /nfs/dbraw/zinc/01/19/42/1125011942.db2.gz BXLTYPRRBHTARY-SFHVURJKSA-N 0 1 296.414 3.638 20 0 CHADMN CC(C)c1nnc(CN2[C@H](C)C[C@@H]3CCCC[C@@H]32)s1 ZINC000450439278 1125025719 /nfs/dbraw/zinc/02/57/19/1125025719.db2.gz NMJLGJXHULARBB-AGIUHOORSA-N 0 1 279.453 3.815 20 0 CHADMN CCn1ccc(CN(C)Cc2cnc3c(F)cccc3c2)c1 ZINC000877471818 1125030594 /nfs/dbraw/zinc/03/05/94/1125030594.db2.gz BKMXXRJNDMCLPF-UHFFFAOYSA-N 0 1 297.377 3.827 20 0 CHADMN C[C@@H](CCOCc1ccccc1)NC(C)(C)C(F)F ZINC000877490182 1125034856 /nfs/dbraw/zinc/03/48/56/1125034856.db2.gz VWGRPVDFFJXPMD-LBPRGKRZSA-N 0 1 271.351 3.615 20 0 CHADMN CN(Cc1ccc(Cl)s1)Cc1ccc2nonc2c1 ZINC000821341827 1131326907 /nfs/dbraw/zinc/32/69/07/1131326907.db2.gz GAHQJVFBPLGYEW-UHFFFAOYSA-N 0 1 293.779 3.570 20 0 CHADMN CCN(C[C@@H]1CC1(Cl)Cl)[C@H](C)c1cccnc1 ZINC000877531744 1125039831 /nfs/dbraw/zinc/03/98/31/1125039831.db2.gz QXXQHSRVEFBXDK-PWSUYJOCSA-N 0 1 273.207 3.658 20 0 CHADMN C[C@@H]1c2cc(F)cc(F)c2CCN1CC1CCC(=O)CC1 ZINC000450485076 1125044193 /nfs/dbraw/zinc/04/41/93/1125044193.db2.gz NZLXYPLNGSVHAV-LLVKDONJSA-N 0 1 293.357 3.643 20 0 CHADMN CC(=O)c1ccc(CN(C)CCOCc2ccccc2)cc1 ZINC000450488100 1125045224 /nfs/dbraw/zinc/04/52/24/1125045224.db2.gz WKISSBJGMXSOPG-UHFFFAOYSA-N 0 1 297.398 3.538 20 0 CHADMN Cc1nc(C(C)C)sc1[C@@H](C)N(C)CCOC(C)C ZINC000121115748 1125048777 /nfs/dbraw/zinc/04/87/77/1125048777.db2.gz WWJDYZVNSXDGED-CYBMUJFWSA-N 0 1 284.469 3.993 20 0 CHADMN CS[C@@H]1CCCC[C@H]1NCc1nc(Cl)cs1 ZINC000877610570 1125053865 /nfs/dbraw/zinc/05/38/65/1125053865.db2.gz JBDDSCJATYRAMR-RKDXNWHRSA-N 0 1 276.858 3.560 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3ccc(Cl)cc32)sn1 ZINC000877660771 1125059720 /nfs/dbraw/zinc/05/97/20/1125059720.db2.gz QOLCNCOYVWOUTD-CQSZACIVSA-N 0 1 278.808 3.882 20 0 CHADMN CC(C)(C)c1csc(CN2CC[C@@H]3CSC[C@@H]3C2)n1 ZINC000877736275 1125070932 /nfs/dbraw/zinc/07/09/32/1125070932.db2.gz SOBYFOTWUJLTSI-NEPJUHHUSA-N 0 1 296.505 3.626 20 0 CHADMN Clc1sccc1CN1CC[C@@H]2CSC[C@H]2C1 ZINC000877740537 1125071754 /nfs/dbraw/zinc/07/17/54/1125071754.db2.gz WESFHRDPKBZTSK-GHMZBOCLSA-N 0 1 273.854 3.586 20 0 CHADMN CSC1(CNCc2noc3c2CC(C)(C)CC3)CCC1 ZINC000877810182 1125083354 /nfs/dbraw/zinc/08/33/54/1125083354.db2.gz QEUSRCLKWMCXRZ-UHFFFAOYSA-N 0 1 294.464 3.565 20 0 CHADMN CC(C)N1CCC[C@@H](Oc2cc(F)cc(F)c2Cl)C1 ZINC001228431899 1125084345 /nfs/dbraw/zinc/08/43/45/1125084345.db2.gz CKNYIXGUDAFTCR-LLVKDONJSA-N 0 1 289.753 3.870 20 0 CHADMN CCN(CC(=O)Nc1ccc(Cl)cc1C(C)C)C1CC1 ZINC000529853933 1125084247 /nfs/dbraw/zinc/08/42/47/1125084247.db2.gz SLLFLNHCWAABAE-UHFFFAOYSA-N 0 1 294.826 3.886 20 0 CHADMN C[C@H](NCc1cccnc1N)c1ccccc1C(F)(F)F ZINC000450681879 1125085074 /nfs/dbraw/zinc/08/50/74/1125085074.db2.gz OOSRYZUWNLTFCP-JTQLQIEISA-N 0 1 295.308 3.533 20 0 CHADMN CO[C@H](C)[C@@H](C)NCc1c(Cl)cccc1Cl ZINC000390451301 1125088970 /nfs/dbraw/zinc/08/89/70/1125088970.db2.gz ZPWLMXGVMBJBAE-RKDXNWHRSA-N 0 1 262.180 3.506 20 0 CHADMN C[C@@H](N[C@@H](C)c1csnn1)[C@H](C)C1CCCCC1 ZINC000450730290 1125096267 /nfs/dbraw/zinc/09/62/67/1125096267.db2.gz VZOLNRKRIJLASG-TUAOUCFPSA-N 0 1 267.442 3.794 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1NCc1nnc(C2CC2)s1 ZINC000450753324 1125102148 /nfs/dbraw/zinc/10/21/48/1125102148.db2.gz BPJMXEAMQNZDRN-VXGBXAGGSA-N 0 1 297.493 3.569 20 0 CHADMN CC(C)[C@@H](NCc1nccn1CC(F)F)c1ccccc1 ZINC000877929148 1125103138 /nfs/dbraw/zinc/10/31/38/1125103138.db2.gz ULYCTNHJYRMKNU-MRXNPFEDSA-N 0 1 293.361 3.635 20 0 CHADMN CCN(Cc1csc(N(C)C2CC2)n1)C1CCCC1 ZINC000121397552 1125109591 /nfs/dbraw/zinc/10/95/91/1125109591.db2.gz ACZIVEBXXNVIOI-UHFFFAOYSA-N 0 1 279.453 3.506 20 0 CHADMN Cc1conc1CN(Cc1ccccc1)CC(C)C ZINC000878009682 1125112643 /nfs/dbraw/zinc/11/26/43/1125112643.db2.gz BFXDBSAZSBXFJH-UHFFFAOYSA-N 0 1 258.365 3.641 20 0 CHADMN CN(Cc1nc2c(o1)CCCC2)[C@H]1CCc2ccccc2C1 ZINC000878106698 1125120386 /nfs/dbraw/zinc/12/03/86/1125120386.db2.gz PSOIMWOESGFWIF-INIZCTEOSA-N 0 1 296.414 3.543 20 0 CHADMN FC1(F)CC(CSc2nc(Cc3ccccc3)n[nH]2)C1 ZINC000450941910 1125122929 /nfs/dbraw/zinc/12/29/29/1125122929.db2.gz QBVPTTCGZSDVEV-UHFFFAOYSA-N 0 1 295.358 3.533 20 0 CHADMN FC1(F)CC(CSc2n[nH]c(Cc3ccccc3)n2)C1 ZINC000450941910 1125122932 /nfs/dbraw/zinc/12/29/32/1125122932.db2.gz QBVPTTCGZSDVEV-UHFFFAOYSA-N 0 1 295.358 3.533 20 0 CHADMN COc1ccccc1-c1nc(C[N@H+]2CC[C@@H](C)[C@@H]2C)co1 ZINC000878164099 1125125915 /nfs/dbraw/zinc/12/59/15/1125125915.db2.gz GJKWDXKTIWBOCT-OLZOCXBDSA-N 0 1 286.375 3.581 20 0 CHADMN COc1ccccc1-c1nc(C[N@H+]2CC[C@H](C)[C@H]2C)co1 ZINC000878164100 1125126079 /nfs/dbraw/zinc/12/60/79/1125126079.db2.gz GJKWDXKTIWBOCT-QWHCGFSZSA-N 0 1 286.375 3.581 20 0 CHADMN CCc1cnc(CN(C)C[C@H]2CC(C)(C)OC2(C)C)s1 ZINC000878161564 1125126261 /nfs/dbraw/zinc/12/62/61/1125126261.db2.gz WDLFTTURNHDGQN-GFCCVEGCSA-N 0 1 296.480 3.731 20 0 CHADMN CC1(C)CC(C[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])C1 ZINC000530165954 1125127597 /nfs/dbraw/zinc/12/75/97/1125127597.db2.gz LDIFWHJGKWNIAV-HZPDHXFCSA-N 0 1 293.451 3.778 20 0 CHADMN CO[C@H]1C[C@@H](C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000878204551 1125131183 /nfs/dbraw/zinc/13/11/83/1125131183.db2.gz SCSTUTBVRGXXRG-UPJWGTAASA-N 0 1 290.432 3.714 20 0 CHADMN C=C/C=C\CCNC1(c2noc(C)n2)CCCCCC1 ZINC000878217846 1125132066 /nfs/dbraw/zinc/13/20/66/1125132066.db2.gz GFRBCRXYTHMZQF-PLNGDYQASA-N 0 1 275.396 3.649 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)Cc2ccccc2)c1 ZINC000026463274 1125135957 /nfs/dbraw/zinc/13/59/57/1125135957.db2.gz VMJDXEOMAONRNJ-MRXNPFEDSA-N 0 1 296.414 3.762 20 0 CHADMN COc1ccccc1-c1nc(C[N@H+]2CC[C@@H](C3CC3)C2)co1 ZINC000878324755 1125141571 /nfs/dbraw/zinc/14/15/71/1125141571.db2.gz OGDMQSBHCNNHPD-CQSZACIVSA-N 0 1 298.386 3.582 20 0 CHADMN COc1ccccc1-c1nc(C[N@H+]2CC[C@H](C3CC3)C2)co1 ZINC000878324750 1125141822 /nfs/dbraw/zinc/14/18/22/1125141822.db2.gz OGDMQSBHCNNHPD-AWEZNQCLSA-N 0 1 298.386 3.582 20 0 CHADMN CC[N@H+](Cc1ccncc1)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878331084 1125142041 /nfs/dbraw/zinc/14/20/41/1125142041.db2.gz RIRQMVBYJUQQTC-MOPGFXCFSA-N 0 1 296.414 3.824 20 0 CHADMN CC[N@H+](Cc1ccncc1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878331085 1125142076 /nfs/dbraw/zinc/14/20/76/1125142076.db2.gz RIRQMVBYJUQQTC-OALUTQOASA-N 0 1 296.414 3.824 20 0 CHADMN Cc1nc(CN(C(C)C)C(C)C)sc1Br ZINC000878339685 1125142386 /nfs/dbraw/zinc/14/23/86/1125142386.db2.gz LAZDJEWYDBWGGI-UHFFFAOYSA-N 0 1 291.258 3.833 20 0 CHADMN CC[C@@](C)(NC[C@H]1CCC2(CCCC2)O1)c1nccs1 ZINC000530358593 1125145193 /nfs/dbraw/zinc/14/51/93/1125145193.db2.gz ZGZAVVUIKYIDLU-UKRRQHHQSA-N 0 1 294.464 3.850 20 0 CHADMN c1cc2c(s1)CCN(C[C@H]1CCC3(CCCC3)O1)C2 ZINC000530366402 1125145216 /nfs/dbraw/zinc/14/52/16/1125145216.db2.gz BNYCSNFGOIUFHA-CQSZACIVSA-N 0 1 277.433 3.598 20 0 CHADMN C[C@H](c1ccccc1)[C@H](C)NCc1nc2c(o1)CCCC2 ZINC000878378945 1125147358 /nfs/dbraw/zinc/14/73/58/1125147358.db2.gz QWLMWCQXRHGEHU-KBPBESRZSA-N 0 1 284.403 3.835 20 0 CHADMN Cc1cnc(C(C)(C)NC[C@@H]2CCCC(C)(C)O2)s1 ZINC000878417587 1125152119 /nfs/dbraw/zinc/15/21/19/1125152119.db2.gz OESHJOLCKIXNBQ-LBPRGKRZSA-N 0 1 282.453 3.624 20 0 CHADMN C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1F ZINC000303933989 1125153963 /nfs/dbraw/zinc/15/39/63/1125153963.db2.gz XQCMGDMUMDQJFX-INIZCTEOSA-N 0 1 298.405 3.532 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1NCc1nc2c(o1)CCCC2 ZINC000878456013 1125155149 /nfs/dbraw/zinc/15/51/49/1125155149.db2.gz HEMAUNBWCPMKTC-DZGCQCFKSA-N 0 1 294.464 3.707 20 0 CHADMN CCO[C@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C[C@@H]1C ZINC000451521993 1125165556 /nfs/dbraw/zinc/16/55/56/1125165556.db2.gz AKRFVOYOEMIUQJ-FZMZJTMJSA-N 0 1 285.790 3.726 20 0 CHADMN CCO[C@H]1CCN(Cc2cccc(F)c2Cl)C[C@@H]1C ZINC000451521993 1125165559 /nfs/dbraw/zinc/16/55/59/1125165559.db2.gz AKRFVOYOEMIUQJ-FZMZJTMJSA-N 0 1 285.790 3.726 20 0 CHADMN CCO[C@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C[C@H]1C ZINC000451521994 1125165728 /nfs/dbraw/zinc/16/57/28/1125165728.db2.gz AKRFVOYOEMIUQJ-RISCZKNCSA-N 0 1 285.790 3.726 20 0 CHADMN CCO[C@H]1CCN(Cc2cccc(F)c2Cl)C[C@H]1C ZINC000451521994 1125165731 /nfs/dbraw/zinc/16/57/31/1125165731.db2.gz AKRFVOYOEMIUQJ-RISCZKNCSA-N 0 1 285.790 3.726 20 0 CHADMN Cc1conc1CN1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000878611947 1125166029 /nfs/dbraw/zinc/16/60/29/1125166029.db2.gz DREPSUNKFOAJKF-LRDDRELGSA-N 0 1 256.349 3.566 20 0 CHADMN CCC[C@@](C)(CO)NCc1csc(-c2ccsc2)n1 ZINC000304252856 1125167374 /nfs/dbraw/zinc/16/73/74/1125167374.db2.gz QWDFOXNIQGGKBZ-AWEZNQCLSA-N 0 1 296.461 3.512 20 0 CHADMN Cc1cc(C)c(NC(=O)CN(C)CC(C)(C)C)c(Cl)c1 ZINC000530628190 1125168938 /nfs/dbraw/zinc/16/89/38/1125168938.db2.gz MSYVWYHBCUPYHA-UHFFFAOYSA-N 0 1 296.842 3.873 20 0 CHADMN CCOC(=O)c1cc2ccc(-c3ccc(C)cc3)[nH]c-2n1 ZINC001239478271 1131336681 /nfs/dbraw/zinc/33/66/81/1131336681.db2.gz KETJGWBNVQVHSQ-UHFFFAOYSA-N 0 1 280.327 3.715 20 0 CHADMN C[C@@]1(CCc2ccccc2)CCN(Cc2ccon2)C1 ZINC000530725428 1125176216 /nfs/dbraw/zinc/17/62/16/1125176216.db2.gz IQZALXGOZPTETR-QGZVFWFLSA-N 0 1 270.376 3.519 20 0 CHADMN c1coc([C@H](Cc2ccccc2)NCCCC2CC2)n1 ZINC000878850674 1125182346 /nfs/dbraw/zinc/18/23/46/1125182346.db2.gz XOZQAMUIPWYSHL-INIZCTEOSA-N 0 1 270.376 3.738 20 0 CHADMN Fc1ccc([C@H]2CCN2C[C@H]2CC3(CCC3)CO2)cc1 ZINC000878921252 1125185763 /nfs/dbraw/zinc/18/57/63/1125185763.db2.gz OGBMQFXOPRBZFQ-HZPDHXFCSA-N 0 1 275.367 3.532 20 0 CHADMN Fc1ccc([C@@H]2CCN2C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc1 ZINC000878921940 1125186503 /nfs/dbraw/zinc/18/65/03/1125186503.db2.gz YYZMXHZNKIYJQG-HJWJTTGWSA-N 0 1 275.367 3.530 20 0 CHADMN CC(C)n1ccnc1CN1CC[C@@H](C)[C@H]2CCCC[C@@H]21 ZINC000530971546 1125190000 /nfs/dbraw/zinc/19/00/00/1125190000.db2.gz UDNKSPGTTNLNAD-OAGGEKHMSA-N 0 1 275.440 3.865 20 0 CHADMN CCN(Cc1c(C)n[nH]c1C)[C@@H](C)c1ccc(F)cc1 ZINC000122441151 1125190643 /nfs/dbraw/zinc/19/06/43/1125190643.db2.gz OCELHCSNLYOLNZ-ZDUSSCGKSA-N 0 1 275.371 3.749 20 0 CHADMN CC1(C)C[N@@H+](C[C@H]2CCC3(CCC3)O2)[C@H]1c1ccncc1 ZINC000879009961 1125191885 /nfs/dbraw/zinc/19/18/85/1125191885.db2.gz MYZFRKJQZMCDOG-CVEARBPZSA-N 0 1 286.419 3.566 20 0 CHADMN CC1(C)CN(C[C@H]2CCC3(CCC3)O2)[C@H]1c1ccncc1 ZINC000879009961 1125191887 /nfs/dbraw/zinc/19/18/87/1125191887.db2.gz MYZFRKJQZMCDOG-CVEARBPZSA-N 0 1 286.419 3.566 20 0 CHADMN CC(C)OC1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000531164830 1125198059 /nfs/dbraw/zinc/19/80/59/1125198059.db2.gz HXUFDYLNVDCJIQ-UHFFFAOYSA-N 0 1 299.817 3.911 20 0 CHADMN C1=C(c2cccc3c2CN(Cc2ccccc2)C3)COC1 ZINC001239481062 1131338359 /nfs/dbraw/zinc/33/83/59/1131338359.db2.gz JSIAKPYERNIHCT-UHFFFAOYSA-N 0 1 277.367 3.616 20 0 CHADMN Fc1ccc(F)c(CN2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000531231637 1125203321 /nfs/dbraw/zinc/20/33/21/1125203321.db2.gz KGASNFWOWAILPA-GJZGRUSLSA-N 0 1 283.387 3.825 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)CC(C)(C)CC(F)F ZINC000879365938 1125210067 /nfs/dbraw/zinc/21/00/67/1125210067.db2.gz UBGFJAVZHVCGCG-UHFFFAOYSA-N 0 1 295.280 3.666 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN(CC)C1CCC1 ZINC000531340444 1125210817 /nfs/dbraw/zinc/21/08/17/1125210817.db2.gz CDWZBTDLGFCUFH-UHFFFAOYSA-N 0 1 275.392 3.662 20 0 CHADMN Cc1ccc(-c2ccc(C)cc2CN2CCOCC2)cc1 ZINC001239482372 1131339605 /nfs/dbraw/zinc/33/96/05/1131339605.db2.gz QYRGDWXJJGCIJC-UHFFFAOYSA-N 0 1 281.399 3.803 20 0 CHADMN COc1ccc(C)cc1CN1CCC[C@@H]1c1ccccn1 ZINC000531440713 1125219499 /nfs/dbraw/zinc/21/94/99/1125219499.db2.gz VDJQALKNDYSTNV-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN Cn1cc([C@@H](NCc2ccccc2Cl)C(C)(C)C)cn1 ZINC000531445808 1125219872 /nfs/dbraw/zinc/21/98/72/1125219872.db2.gz WGNPDNNTSSJZNA-OAHLLOKOSA-N 0 1 291.826 3.951 20 0 CHADMN COc1ccc([C@@H]2CCN(CCC(F)(F)F)C2)cc1F ZINC000626125727 1125220784 /nfs/dbraw/zinc/22/07/84/1125220784.db2.gz VQJOLWFBLADBOV-LLVKDONJSA-N 0 1 291.288 3.576 20 0 CHADMN CN(Cc1cc(Cl)cn1C)Cc1ccc(Cl)cc1 ZINC000532072961 1125232358 /nfs/dbraw/zinc/23/23/58/1125232358.db2.gz PEENKYZPNKMNMF-UHFFFAOYSA-N 0 1 283.202 3.964 20 0 CHADMN CN(C/C=C\c1ccccc1)Cc1cc(Cl)cn1C ZINC000532072507 1125233282 /nfs/dbraw/zinc/23/32/82/1125233282.db2.gz OQXIWSPANVKKAF-TWGQIWQCSA-N 0 1 274.795 3.824 20 0 CHADMN C[C@@H](NC/C=C\Cl)c1ccc(C(F)(F)F)nc1 ZINC000880097237 1125250369 /nfs/dbraw/zinc/25/03/69/1125250369.db2.gz LKLYQQQMINWFJK-ZTHSNPKKSA-N 0 1 264.678 3.504 20 0 CHADMN CCC[C@H](C(=O)c1ccccc1)N(C)[C@H]1CCO[C@H](C)C1 ZINC001168142905 1125250715 /nfs/dbraw/zinc/25/07/15/1125250715.db2.gz MZTYRGZZRLGHPW-HYVNUMGLSA-N 0 1 289.419 3.537 20 0 CHADMN CC(C)[C@H](N[C@H]1CC[C@@H](C)SC1)c1nc(C2CC2)no1 ZINC000655730219 1125253750 /nfs/dbraw/zinc/25/37/50/1125253750.db2.gz NBZCAOHHBGXVIB-WXHSDQCUSA-N 0 1 295.452 3.518 20 0 CHADMN Cc1cccc(-c2nc(C(C)(C)C)nc3nc[nH]c32)c1 ZINC001239487841 1131342746 /nfs/dbraw/zinc/34/27/46/1131342746.db2.gz STHXKXFUSWYFQF-UHFFFAOYSA-N 0 1 266.348 3.577 20 0 CHADMN C[C@H]1CCCN(CC(=O)Nc2ccc3ccccc3c2)C1 ZINC000007787592 1125261630 /nfs/dbraw/zinc/26/16/30/1125261630.db2.gz BECVYXOOIAIRCT-AWEZNQCLSA-N 0 1 282.387 3.510 20 0 CHADMN FC[C@@H]1CCN(Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000880291346 1125263371 /nfs/dbraw/zinc/26/33/71/1125263371.db2.gz DWYRTVYPRVMHFN-NSHDSACASA-N 0 1 294.370 3.741 20 0 CHADMN FC[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000880292209 1125263717 /nfs/dbraw/zinc/26/37/17/1125263717.db2.gz NNRZVUXVRCNHQX-NSHDSACASA-N 0 1 294.757 3.786 20 0 CHADMN FC[C@@H]1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000880292209 1125263722 /nfs/dbraw/zinc/26/37/22/1125263722.db2.gz NNRZVUXVRCNHQX-NSHDSACASA-N 0 1 294.757 3.786 20 0 CHADMN Fc1cc(CN2CC[C@H](c3nccs3)C2)ccc1Cl ZINC000880320086 1125265643 /nfs/dbraw/zinc/26/56/43/1125265643.db2.gz NWTYAVCARFDIMI-NSHDSACASA-N 0 1 296.798 3.925 20 0 CHADMN Oc1ccc(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000648439659 1125265725 /nfs/dbraw/zinc/26/57/25/1125265725.db2.gz GAOOISDUWYFKHD-CYBMUJFWSA-N 0 1 293.288 3.587 20 0 CHADMN Fc1cccc(CN2CC[C@@H](c3nccs3)C2)c1Cl ZINC000880320348 1125266375 /nfs/dbraw/zinc/26/63/75/1125266375.db2.gz SOCLCWSFAKLQIV-LLVKDONJSA-N 0 1 296.798 3.925 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1)NCc1nccnc1Cl ZINC001168150591 1125267133 /nfs/dbraw/zinc/26/71/33/1125267133.db2.gz UIINXEGEYQZBKL-JTQLQIEISA-N 0 1 296.201 3.504 20 0 CHADMN c1cnc(C2(NCC[C@H]3CCc4ccccc43)CCC2)nc1 ZINC000880368339 1125267925 /nfs/dbraw/zinc/26/79/25/1125267925.db2.gz XBUPLXXFRQNRKA-MRXNPFEDSA-N 0 1 293.414 3.566 20 0 CHADMN Cc1nc(CN2CCC[C@@]2(C)c2ccccc2)oc1C ZINC000880371295 1125268065 /nfs/dbraw/zinc/26/80/65/1125268065.db2.gz FCRXKQGEWXYDFS-KRWDZBQOSA-N 0 1 270.376 3.803 20 0 CHADMN CCc1cnc(CN2CCC[C@@]2(C)c2ccccc2)o1 ZINC000880371631 1125268285 /nfs/dbraw/zinc/26/82/85/1125268285.db2.gz MKZBJYJKKPCTSV-KRWDZBQOSA-N 0 1 270.376 3.748 20 0 CHADMN [O-]c1cccc(C[NH+](CC2CC2)CC2CC2)c1Cl ZINC000508626102 1125268234 /nfs/dbraw/zinc/26/82/34/1125268234.db2.gz SUNQDECNVBUKNT-UHFFFAOYSA-N 0 1 265.784 3.668 20 0 CHADMN C[C@@]1(c2ccccc2)CCCN1Cc1cscn1 ZINC000880370902 1125268872 /nfs/dbraw/zinc/26/88/72/1125268872.db2.gz WFCJFHGKXLOKCB-HNNXBMFYSA-N 0 1 258.390 3.654 20 0 CHADMN C[C@@]1(c2ccccc2)CCCN1Cc1nccs1 ZINC000880371900 1125268978 /nfs/dbraw/zinc/26/89/78/1125268978.db2.gz PSAZXPNTGRPSDM-HNNXBMFYSA-N 0 1 258.390 3.654 20 0 CHADMN COc1cc(CN(C)Cc2cc(C)cs2)cc(OC)c1 ZINC001137156953 1125282738 /nfs/dbraw/zinc/28/27/38/1125282738.db2.gz FVGSXYLYLNSSMS-UHFFFAOYSA-N 0 1 291.416 3.706 20 0 CHADMN C[C@@H](c1nc(CCC(C)(C)C)no1)N1[C@H](C)CC[C@H]1C ZINC000508640380 1125289519 /nfs/dbraw/zinc/28/95/19/1125289519.db2.gz ZXDAGAXJKFISKY-UPJWGTAASA-N 0 1 279.428 3.982 20 0 CHADMN Cc1csc(CN2CCC(=O)[C@H](C)C23CCCC3)c1 ZINC001137161846 1125298111 /nfs/dbraw/zinc/29/81/11/1125298111.db2.gz YCEMQCUAYCWRSD-ZDUSSCGKSA-N 0 1 277.433 3.780 20 0 CHADMN COc1ccccc1[C@H](C)NCc1ccc(F)cc1C ZINC000050569144 1125317449 /nfs/dbraw/zinc/31/74/49/1125317449.db2.gz VRYFHWGIRXNMIJ-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN Cc1nc2c(n1C[C@H]1CCC(F)(F)C1)CCCC2 ZINC000302469363 1125320982 /nfs/dbraw/zinc/32/09/82/1125320982.db2.gz PZHCKTJDKNFURZ-NSHDSACASA-N 0 1 254.324 3.506 20 0 CHADMN c1c(CNCc2ccc(C3CC3)cc2)nc2ccccn12 ZINC000191684406 1125327770 /nfs/dbraw/zinc/32/77/70/1125327770.db2.gz JHSSNURKPFAGGC-UHFFFAOYSA-N 0 1 277.371 3.502 20 0 CHADMN C[C@H](c1ccccc1)[N@H+](Cc1ncccn1)CC1CCC1 ZINC000192037932 1125330106 /nfs/dbraw/zinc/33/01/06/1125330106.db2.gz ADNHBMDIXIIXME-OAHLLOKOSA-N 0 1 281.403 3.840 20 0 CHADMN C[C@H](c1ccccc1)N(Cc1ncccn1)CC1CCC1 ZINC000192037932 1125330110 /nfs/dbraw/zinc/33/01/10/1125330110.db2.gz ADNHBMDIXIIXME-OAHLLOKOSA-N 0 1 281.403 3.840 20 0 CHADMN CCC[N@@H+](Cc1cn2ccsc2n1)Cc1ccccc1 ZINC000064344738 1125330392 /nfs/dbraw/zinc/33/03/92/1125330392.db2.gz ZALJYOWLEAPYEP-UHFFFAOYSA-N 0 1 285.416 3.808 20 0 CHADMN CCCN(Cc1cn2ccsc2n1)Cc1ccccc1 ZINC000064344738 1125330395 /nfs/dbraw/zinc/33/03/95/1125330395.db2.gz ZALJYOWLEAPYEP-UHFFFAOYSA-N 0 1 285.416 3.808 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)c1ccccn1)[C@@H]1CC1(F)F ZINC000666229615 1125334413 /nfs/dbraw/zinc/33/44/13/1125334413.db2.gz SQDKVUZUCKHJBD-DUVNUKRYSA-N 0 1 288.341 3.804 20 0 CHADMN CCc1ccc(CNCc2ccc3ncccc3c2)o1 ZINC000192976140 1125337052 /nfs/dbraw/zinc/33/70/52/1125337052.db2.gz PZFJNPGZQWHCHI-UHFFFAOYSA-N 0 1 266.344 3.680 20 0 CHADMN CC(C)COCCN[C@H](C)c1nc2ccccc2s1 ZINC000129833520 1125352037 /nfs/dbraw/zinc/35/20/37/1125352037.db2.gz BRWLLUDRJIDCPV-GFCCVEGCSA-N 0 1 278.421 3.620 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1ccc(F)cc1 ZINC000037211124 1125363768 /nfs/dbraw/zinc/36/37/68/1125363768.db2.gz HVBXXEUOARKJEC-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN Cc1ccc(-c2nc(CN[C@H](C)[C@@H]3CC3(F)F)co2)cc1 ZINC000666444583 1125369195 /nfs/dbraw/zinc/36/91/95/1125369195.db2.gz IOBVWTMZYMCYDX-RISCZKNCSA-N 0 1 292.329 3.783 20 0 CHADMN CCOc1ccc([C@@H]2C[C@H]2NCc2nc(C(C)C)c[nH]2)cc1 ZINC000883175071 1125375049 /nfs/dbraw/zinc/37/50/49/1125375049.db2.gz YNZMTZRSRZXEMP-JKSUJKDBSA-N 0 1 299.418 3.578 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cccc(Cl)c2N)s1 ZINC000883193884 1125375904 /nfs/dbraw/zinc/37/59/04/1125375904.db2.gz HTLSUGWNXGKHKU-MRVPVSSYSA-N 0 1 281.812 3.538 20 0 CHADMN CC[C@@H](NCc1cc(C)n[nH]1)c1sccc1Cl ZINC000883190393 1125376088 /nfs/dbraw/zinc/37/60/88/1125376088.db2.gz BYJKFWKORCRBSF-LLVKDONJSA-N 0 1 269.801 3.674 20 0 CHADMN C/C=C\C[C@@H]1CCCN([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000626161831 1125377364 /nfs/dbraw/zinc/37/73/64/1125377364.db2.gz JYXVURPUMLZCGX-MEWZEZIVSA-N 0 1 277.412 3.932 20 0 CHADMN Cc1cc(OCCN2CCSCC2)ccc1C(C)C ZINC000061283552 1125377442 /nfs/dbraw/zinc/37/74/42/1125377442.db2.gz HSIJUZQWZNGZDS-UHFFFAOYSA-N 0 1 279.449 3.546 20 0 CHADMN c1nc2cc(-c3noc(C4CC5(CCC5)C4)n3)ccc2[nH]1 ZINC000351357386 1125379651 /nfs/dbraw/zinc/37/96/51/1125379651.db2.gz RHYPPDXPLQSGED-UHFFFAOYSA-N 0 1 280.331 3.661 20 0 CHADMN CC1=C(C)C[C@H](c2nc(-c3ccn4cncc4c3)no2)CC1 ZINC000351357252 1125379945 /nfs/dbraw/zinc/37/99/45/1125379945.db2.gz BOJTVDZCALGJIB-CQSZACIVSA-N 0 1 294.358 3.988 20 0 CHADMN O[C@H]1C[C@](NCc2cc(Cl)cs2)(c2ccccc2)C1 ZINC000883233277 1125381451 /nfs/dbraw/zinc/38/14/51/1125381451.db2.gz DRBZKVZMVYTHLS-OTVXOJSOSA-N 0 1 293.819 3.541 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC000666573582 1125381926 /nfs/dbraw/zinc/38/19/26/1125381926.db2.gz WJAQPLYRRBDYAT-KBRIMQKVSA-N 0 1 287.403 3.785 20 0 CHADMN C/C=C\C[C@H]1CCCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000626162172 1125382269 /nfs/dbraw/zinc/38/22/69/1125382269.db2.gz PRGLJAFOGMWGSQ-ZRMMWKCHSA-N 0 1 287.363 3.508 20 0 CHADMN CCc1nocc1C[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000508659009 1125384584 /nfs/dbraw/zinc/38/45/84/1125384584.db2.gz CHPQKSUZJYVDPW-SJCJKPOMSA-N 0 1 288.366 3.959 20 0 CHADMN CCc1nocc1CN1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000508659009 1125384587 /nfs/dbraw/zinc/38/45/87/1125384587.db2.gz CHPQKSUZJYVDPW-SJCJKPOMSA-N 0 1 288.366 3.959 20 0 CHADMN C[C@@H](NC[C@H]1CCC(C)(C)CO1)c1cccnc1Cl ZINC000883249654 1125384820 /nfs/dbraw/zinc/38/48/20/1125384820.db2.gz NCZABDPNYYCTCB-VXGBXAGGSA-N 0 1 282.815 3.591 20 0 CHADMN COc1ccc(C2CC2)cc1CNCc1ccccc1 ZINC000883258568 1125386643 /nfs/dbraw/zinc/38/66/43/1125386643.db2.gz HHEYVDQQUXWFCT-UHFFFAOYSA-N 0 1 267.372 3.862 20 0 CHADMN CC(C)Oc1cc(Cl)ccc1CNCc1cccn1C ZINC000883259650 1125387188 /nfs/dbraw/zinc/38/71/88/1125387188.db2.gz SUJDWSMCKQFGCG-UHFFFAOYSA-N 0 1 292.810 3.756 20 0 CHADMN FC1(F)CCC[C@H]1CCNCc1ncc(Cl)s1 ZINC000883265582 1125388404 /nfs/dbraw/zinc/38/84/04/1125388404.db2.gz FTJFNFAUNAHEBC-QMMMGPOBSA-N 0 1 280.771 3.712 20 0 CHADMN COc1ccc(C2CC2)cc1CN[C@H](C)c1cccnc1 ZINC000883266255 1125388550 /nfs/dbraw/zinc/38/85/50/1125388550.db2.gz VWCKUTBOTCRASG-CYBMUJFWSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1ccc(CNCc2ccccc2C)c(Cl)n1 ZINC000883291632 1125391476 /nfs/dbraw/zinc/39/14/76/1125391476.db2.gz MGTKVDNCIBJQFP-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN CC1CCC(NC2(c3cccc(Cl)c3)COC2)CC1 ZINC001168201403 1125393199 /nfs/dbraw/zinc/39/31/99/1125393199.db2.gz UDLNHHORIAYRPU-UHFFFAOYSA-N 0 1 279.811 3.734 20 0 CHADMN C[N@@H+](CCc1ccccc1C(=O)[O-])C1CCC(C)(C)CC1 ZINC000228516211 1125393283 /nfs/dbraw/zinc/39/32/83/1125393283.db2.gz MHQVSPVNJLMLOB-UHFFFAOYSA-N 0 1 289.419 3.828 20 0 CHADMN Cc1nc(CN2CCC(c3ccccc3C)CC2)oc1C ZINC000170953769 1125397375 /nfs/dbraw/zinc/39/73/75/1125397375.db2.gz HDHUWGFDIXAVJR-UHFFFAOYSA-N 0 1 284.403 3.979 20 0 CHADMN COc1cccc2c1OCCC[C@@H]2N[C@H](C)c1ccoc1 ZINC000883331208 1125397744 /nfs/dbraw/zinc/39/77/44/1125397744.db2.gz UHEMYLCLAVWQET-DOMZBBRYSA-N 0 1 287.359 3.853 20 0 CHADMN CC(C)(C)c1cnc(CN[C@@H]2CCC[C@]23CCCO3)s1 ZINC000883371080 1125403494 /nfs/dbraw/zinc/40/34/94/1125403494.db2.gz YJPIRNBCQSNZIM-WBMJQRKESA-N 0 1 294.464 3.632 20 0 CHADMN CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C)CC1 ZINC000532486537 1125406742 /nfs/dbraw/zinc/40/67/42/1125406742.db2.gz IVGIQCDFCPUQPE-GJZGRUSLSA-N 0 1 288.435 3.698 20 0 CHADMN C[C@H](N(C)Cc1nc(-c2ccccc2)no1)C(C)(C)C ZINC000532490709 1125407506 /nfs/dbraw/zinc/40/75/06/1125407506.db2.gz HOSSBYWAZISEHE-LBPRGKRZSA-N 0 1 273.380 3.603 20 0 CHADMN C[C@H](c1ccccc1Br)N1CCCO[C@H](C)C1 ZINC000532518088 1125409226 /nfs/dbraw/zinc/40/92/26/1125409226.db2.gz LKTXEZMIRJDIOW-VXGBXAGGSA-N 0 1 298.224 3.621 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000883407845 1125409804 /nfs/dbraw/zinc/40/98/04/1125409804.db2.gz GSHKWSUOZWRIGV-QWHCGFSZSA-N 0 1 289.366 3.531 20 0 CHADMN CC1(C)Nc2ccccc2[C@@H]1NCc1cccc(Cl)n1 ZINC000883463789 1125411466 /nfs/dbraw/zinc/41/14/66/1125411466.db2.gz YLJJUJMSFVSRFR-HNNXBMFYSA-N 0 1 287.794 3.770 20 0 CHADMN Clc1ccc(-c2noc([C@@H]3CCCCN3)n2)cc1Cl ZINC000132533517 1125419366 /nfs/dbraw/zinc/41/93/66/1125419366.db2.gz XRPKKVNKASPTNL-NSHDSACASA-N 0 1 298.173 3.858 20 0 CHADMN Fc1cccc(F)c1C1(NCCc2cscn2)CCC1 ZINC000626178658 1125419733 /nfs/dbraw/zinc/41/97/33/1125419733.db2.gz CQZCIAGRSTVJNL-UHFFFAOYSA-N 0 1 294.370 3.633 20 0 CHADMN CCO[C@@H](C)c1noc(CN2CCCC[C@@H]2CC(C)C)n1 ZINC000123566478 1125431507 /nfs/dbraw/zinc/43/15/07/1125431507.db2.gz VDXSKFNGFRGGBQ-UONOGXRCSA-N 0 1 295.427 3.568 20 0 CHADMN Cc1ncccc1CN1CCC[C@H]1c1ccc(F)cc1 ZINC000124091508 1125434595 /nfs/dbraw/zinc/43/45/95/1125434595.db2.gz HFCNWBADPNNPQA-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)[N@H+]1CCOCC2(CCCC2)C1 ZINC000681477255 1125435308 /nfs/dbraw/zinc/43/53/08/1125435308.db2.gz LQNWDHFAARCOON-ZDUSSCGKSA-N 0 1 295.373 3.918 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCOCC2(CCCC2)C1 ZINC000681477255 1125435310 /nfs/dbraw/zinc/43/53/10/1125435310.db2.gz LQNWDHFAARCOON-ZDUSSCGKSA-N 0 1 295.373 3.918 20 0 CHADMN Fc1ccc2c(c1)CCN(CCOC1CCCCCC1)C2 ZINC001168252650 1125442137 /nfs/dbraw/zinc/44/21/37/1125442137.db2.gz QFLFBHRDRPHDCB-UHFFFAOYSA-N 0 1 291.410 3.923 20 0 CHADMN CCc1ccc(CN2C[C@@H](C)C[C@@H]2c2cccnc2)cn1 ZINC000348255165 1125443484 /nfs/dbraw/zinc/44/34/84/1125443484.db2.gz RQIIBRFQIBRYFQ-KBXCAEBGSA-N 0 1 281.403 3.622 20 0 CHADMN CC[C@@H]1CCN(Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000125419778 1125448387 /nfs/dbraw/zinc/44/83/87/1125448387.db2.gz GTKQKPKIMMSFKH-LLVKDONJSA-N 0 1 291.782 3.622 20 0 CHADMN CCC[C@H]1CCCN([C@@H](C)C(=O)c2c[nH]c3ncccc23)C1 ZINC000348269873 1125456522 /nfs/dbraw/zinc/45/65/22/1125456522.db2.gz WNDOFFWFHCWVNW-KBPBESRZSA-N 0 1 299.418 3.646 20 0 CHADMN CC[C@H](NCc1conc1C)c1cccc(Cl)c1 ZINC000293685020 1129179877 /nfs/dbraw/zinc/17/98/77/1129179877.db2.gz AUHNGJOWIIHSLK-AWEZNQCLSA-N 0 1 264.756 3.877 20 0 CHADMN COc1cc(CN2CC(CC3CC3)C2)ccc1OC(F)F ZINC000621741504 1129189567 /nfs/dbraw/zinc/18/95/67/1129189567.db2.gz WFVMIEWJOSJGAJ-UHFFFAOYSA-N 0 1 297.345 3.529 20 0 CHADMN CC(C)(C)c1ccccc1NC(=O)CN1C2CCC1CC2 ZINC000635903797 1129193668 /nfs/dbraw/zinc/19/36/68/1129193668.db2.gz CTONVRJFVFSWIG-UHFFFAOYSA-N 0 1 286.419 3.549 20 0 CHADMN Cc1nnsc1CN[C@H]1CC[C@@H](C)c2ccccc21 ZINC000293694637 1129196328 /nfs/dbraw/zinc/19/63/28/1129196328.db2.gz OAWORTPHUFJIIO-YGRLFVJLSA-N 0 1 273.405 3.575 20 0 CHADMN CCC[C@H](CN[C@@H](C)c1c(F)cccc1Cl)OC ZINC000386227860 1129206358 /nfs/dbraw/zinc/20/63/58/1129206358.db2.gz PHLYMZPDKOKNOT-WDEREUQCSA-N 0 1 273.779 3.945 20 0 CHADMN N#CC(C(=O)C=C1CCC1)c1nc2cc(F)ccc2s1 ZINC000088810355 1129210743 /nfs/dbraw/zinc/21/07/43/1129210743.db2.gz HSCLCKSSHLUCFL-LLVKDONJSA-N 0 1 286.331 3.722 20 0 CHADMN C[C@H](N[C@H]1CCn2ccnc21)c1cccc2ccccc21 ZINC000294207435 1129214191 /nfs/dbraw/zinc/21/41/91/1129214191.db2.gz TZPIMDPTIGSNHZ-GUYCJALGSA-N 0 1 277.371 3.832 20 0 CHADMN CC[C@H](C)[C@H](CN[C@@H](c1ccccc1)c1ccccn1)OC ZINC000294349955 1129215542 /nfs/dbraw/zinc/21/55/42/1129215542.db2.gz ZDBUCVWLGUHQSA-SNRMKQJTSA-N 0 1 298.430 3.822 20 0 CHADMN CC(C)c1cccc(CN[C@H](CO)c2ccc(F)cc2)c1 ZINC000660236824 1129227362 /nfs/dbraw/zinc/22/73/62/1129227362.db2.gz SFJKIQWPOGPARM-GOSISDBHSA-N 0 1 287.378 3.772 20 0 CHADMN COc1ccc([C@H](C)[N@@H+](C)Cc2cc(C)ns2)cc1 ZINC000637890471 1129234201 /nfs/dbraw/zinc/23/42/01/1129234201.db2.gz VIFMLVPDCLJALW-LBPRGKRZSA-N 0 1 276.405 3.653 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cc(C)ns2)cc1 ZINC000637890471 1129234205 /nfs/dbraw/zinc/23/42/05/1129234205.db2.gz VIFMLVPDCLJALW-LBPRGKRZSA-N 0 1 276.405 3.653 20 0 CHADMN COc1ccc([C@@H](C)N(C)[C@@H](C)c2cnc(C)nc2C)cc1 ZINC000637888575 1129234797 /nfs/dbraw/zinc/23/47/97/1129234797.db2.gz IDQBWYVAQLSKLQ-KGLIPLIRSA-N 0 1 299.418 3.856 20 0 CHADMN Cc1ncc([C@H](C)N(C)[C@@H](C)c2cccc(O)c2)c(C)n1 ZINC000638064626 1129241100 /nfs/dbraw/zinc/24/11/00/1129241100.db2.gz MHEQRBPHXZRLMJ-STQMWFEESA-N 0 1 285.391 3.553 20 0 CHADMN Cc1cc(CN2CCS[C@H](c3ccccc3)C2)sn1 ZINC000638086460 1129242608 /nfs/dbraw/zinc/24/26/08/1129242608.db2.gz FYWXMSNMOOQWDN-HNNXBMFYSA-N 0 1 290.457 3.742 20 0 CHADMN CCc1ccc(CNCc2cnc(Cl)s2)s1 ZINC000718210952 1129259571 /nfs/dbraw/zinc/25/95/71/1129259571.db2.gz GOFVVFJOOUXTQA-UHFFFAOYSA-N 0 1 272.826 3.710 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cc(C3CC3)no1)CC2 ZINC000638543030 1129262090 /nfs/dbraw/zinc/26/20/90/1129262090.db2.gz BNQWGFWIFWYDPO-MRXNPFEDSA-N 0 1 268.360 3.638 20 0 CHADMN CC(C)COCCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000184902373 1129262257 /nfs/dbraw/zinc/26/22/57/1129262257.db2.gz DRHAABUOYHTDKF-LBPRGKRZSA-N 0 1 285.815 3.759 20 0 CHADMN c1ccc(C[C@H]2C[C@H]2NCc2nc3ccccc3o2)cc1 ZINC000638633576 1129264285 /nfs/dbraw/zinc/26/42/85/1129264285.db2.gz AFTLHWOMQQHROL-GOEBONIOSA-N 0 1 278.355 3.549 20 0 CHADMN CCOC(CN(CC)Cc1cccc(Cl)c1)OCC ZINC000184947741 1129266743 /nfs/dbraw/zinc/26/67/43/1129266743.db2.gz HHZYZAPXQITUSQ-UHFFFAOYSA-N 0 1 285.815 3.561 20 0 CHADMN Cc1ccc(NC(=O)c2cccc(F)c2O)c2cccnc12 ZINC001124779763 1131361841 /nfs/dbraw/zinc/36/18/41/1131361841.db2.gz LKCWPVNIAZJHGI-UHFFFAOYSA-N 0 1 296.301 3.640 20 0 CHADMN CCc1nc[nH]c1C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000823555965 1129268604 /nfs/dbraw/zinc/26/86/04/1129268604.db2.gz HTGSGTFEGQSAGM-UHFFFAOYSA-N 0 1 298.390 3.579 20 0 CHADMN C[C@H]1Cc2ccccc2[C@H]1NCc1cc(C#N)ccc1F ZINC000090117299 1129269041 /nfs/dbraw/zinc/26/90/41/1129269041.db2.gz GCGYEXYJCZWPLQ-SGTLLEGYSA-N 0 1 280.346 3.720 20 0 CHADMN CO[C@H](CNCc1nc(C2CC2)cs1)C1CCCCC1 ZINC000638770537 1129270143 /nfs/dbraw/zinc/27/01/43/1129270143.db2.gz ORXFGVOLEWGCRF-OAHLLOKOSA-N 0 1 294.464 3.705 20 0 CHADMN COc1ccc2nc(SCC(F)(F)C(F)F)[nH]c2c1 ZINC000733870018 1129271616 /nfs/dbraw/zinc/27/16/16/1129271616.db2.gz GRBVXNZXVUXQMA-UHFFFAOYSA-N 0 1 294.273 3.564 20 0 CHADMN CCCCCC[C@H](C)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795429126 1129274051 /nfs/dbraw/zinc/27/40/51/1129274051.db2.gz CLEWIUDSYXSHQC-LBPRGKRZSA-N 0 1 281.400 3.578 20 0 CHADMN CCCCCC[C@H](C)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795429126 1129274054 /nfs/dbraw/zinc/27/40/54/1129274054.db2.gz CLEWIUDSYXSHQC-LBPRGKRZSA-N 0 1 281.400 3.578 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cc(C3CC3)no1)[C@H](C)C2 ZINC000638965146 1129275558 /nfs/dbraw/zinc/27/55/58/1129275558.db2.gz SUINPGKORGLAAW-XIKOKIGWSA-N 0 1 282.387 3.884 20 0 CHADMN Cc1cc(CNCc2ccc(Cl)c(C)c2)sn1 ZINC000639045099 1129277498 /nfs/dbraw/zinc/27/74/98/1129277498.db2.gz GQSPUBXWTVKBJQ-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN Cc1nnc([C@H](C)NC[C@@]2(C)C[C@@H]2c2ccccc2)s1 ZINC000639062960 1129279199 /nfs/dbraw/zinc/27/91/99/1129279199.db2.gz WVFVXWPGFIGOTG-SGIREYDYSA-N 0 1 287.432 3.691 20 0 CHADMN C[C@]12CCCC[C@H]1CN2Cc1nc2ccccc2o1 ZINC000626105374 1129281060 /nfs/dbraw/zinc/28/10/60/1129281060.db2.gz DEUDTEIOLRKORO-LRDDRELGSA-N 0 1 256.349 3.592 20 0 CHADMN CC[C@@](C)(CN[C@@H](c1ccc(C)cc1)c1ccccn1)OC ZINC000639121043 1129283886 /nfs/dbraw/zinc/28/38/86/1129283886.db2.gz XJJIFIUEBMDHCR-OALUTQOASA-N 0 1 298.430 3.884 20 0 CHADMN CCC[C@@H](CN[C@@H](c1ccc(C)cc1)c1ccccn1)OC ZINC000639118261 1129283986 /nfs/dbraw/zinc/28/39/86/1129283986.db2.gz CHCMQOQQPZRQQY-HKUYNNGSSA-N 0 1 298.430 3.884 20 0 CHADMN C[C@H](CCc1ccccc1)N1CCO[C@H](c2ccco2)C1 ZINC000177693724 1129286606 /nfs/dbraw/zinc/28/66/06/1129286606.db2.gz NTJPSXOPPVYELD-QAPCUYQASA-N 0 1 285.387 3.674 20 0 CHADMN Cc1cnc(CN[C@H]2C[C@H](c3cccc(Cl)c3)C2)o1 ZINC000639142897 1129286664 /nfs/dbraw/zinc/28/66/64/1129286664.db2.gz FFRPNGPSFMVXQD-MQMHXKEQSA-N 0 1 276.767 3.672 20 0 CHADMN O=C(Nc1cnc2ccccc2c1)c1c(O)cccc1Cl ZINC000144711188 1129286787 /nfs/dbraw/zinc/28/67/87/1129286787.db2.gz KRCOUEGZPLGOID-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccsc2)c(Cl)cc1O ZINC000639141142 1129286900 /nfs/dbraw/zinc/28/69/00/1129286900.db2.gz MJBQYHOSPDXGDL-VIFPVBQESA-N 0 1 297.807 3.967 20 0 CHADMN Cc1ncc([C@H](C)NCc2nccc3ccccc32)s1 ZINC000090405779 1129287555 /nfs/dbraw/zinc/28/75/55/1129287555.db2.gz VDVPQECCKHINHN-NSHDSACASA-N 0 1 283.400 3.851 20 0 CHADMN Cn1c(CN2CC[C@]3(C)[C@H](C2)C3(F)F)cc2ccccc21 ZINC000639195543 1129291752 /nfs/dbraw/zinc/29/17/52/1129291752.db2.gz DZIBOWLVQHZHLC-JKSUJKDBSA-N 0 1 290.357 3.655 20 0 CHADMN Cc1cnc(CNCCc2cc3ccccc3s2)o1 ZINC000639208131 1129292856 /nfs/dbraw/zinc/29/28/56/1129292856.db2.gz OLQDEALVTATLLQ-UHFFFAOYSA-N 0 1 272.373 3.530 20 0 CHADMN Cc1cccc(CC2CN(Cc3cc(C4CC4)no3)C2)c1 ZINC000639249024 1129297261 /nfs/dbraw/zinc/29/72/61/1129297261.db2.gz BFTNDHFFGFOBLM-UHFFFAOYSA-N 0 1 282.387 3.535 20 0 CHADMN CC[C@@H](C)N(CC)Cc1ncc(Br)cc1F ZINC000639784786 1129334215 /nfs/dbraw/zinc/33/42/15/1129334215.db2.gz RHNROYSRJZBEGV-SECBINFHSA-N 0 1 289.192 3.604 20 0 CHADMN COc1ccc(NCc2ccc3nc[nH]c3c2)cc1Cl ZINC000734157068 1129298303 /nfs/dbraw/zinc/29/83/03/1129298303.db2.gz DTRRKNMKWRPPMU-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN Cc1ccc(CN2CC[C@H](O)C[C@H]2c2ccccc2)c(F)c1 ZINC000639371351 1129307323 /nfs/dbraw/zinc/30/73/23/1129307323.db2.gz SAPWSPGHORBTDD-HKUYNNGSSA-N 0 1 299.389 3.832 20 0 CHADMN CN(Cc1oc2ccccc2c1Cl)CC1(C)COC1 ZINC000639368143 1129307457 /nfs/dbraw/zinc/30/74/57/1129307457.db2.gz QDDPGJRTPLBBGX-UHFFFAOYSA-N 0 1 279.767 3.555 20 0 CHADMN CC1(C)CN(Cc2cccc(OCc3ccccn3)c2)C1 ZINC000639407306 1129311655 /nfs/dbraw/zinc/31/16/55/1129311655.db2.gz XEACLQYKWXVTCB-UHFFFAOYSA-N 0 1 282.387 3.502 20 0 CHADMN c1ccc(C[C@@H]2CCCN2Cc2nc(C3CCC3)no2)cc1 ZINC000639438352 1129314197 /nfs/dbraw/zinc/31/41/97/1129314197.db2.gz JWSJXRBAXQMPPY-INIZCTEOSA-N 0 1 297.402 3.544 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1nc(C2CCC2)no1)C1CC1 ZINC000639476961 1129318414 /nfs/dbraw/zinc/31/84/14/1129318414.db2.gz MRXVKVVCZGCONX-NEPJUHHUSA-N 0 1 277.412 3.736 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cc3nc(C4CCC4)no3)C2)cc1 ZINC000639578382 1129325540 /nfs/dbraw/zinc/32/55/40/1129325540.db2.gz WOLVLYOATKFYSC-MRXNPFEDSA-N 0 1 297.402 3.635 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1c(C)cc(C)nc1C ZINC000639644347 1129328048 /nfs/dbraw/zinc/32/80/48/1129328048.db2.gz QISJBEUJSIYGII-UHFFFAOYSA-N 0 1 287.407 3.637 20 0 CHADMN CC(C)(NCc1cccnc1Cl)c1cccs1 ZINC000735085691 1129330605 /nfs/dbraw/zinc/33/06/05/1129330605.db2.gz HVEZUFTVDVWRDP-UHFFFAOYSA-N 0 1 266.797 3.821 20 0 CHADMN Fc1cccc(Cl)c1CC[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639777340 1129333276 /nfs/dbraw/zinc/33/32/76/1129333276.db2.gz BQVZEFQJCTVPFM-HNNXBMFYSA-N 0 1 293.773 3.582 20 0 CHADMN Fc1cccc(Cl)c1CCN1CCC[C@H]1c1cn[nH]c1 ZINC000639777340 1129333281 /nfs/dbraw/zinc/33/32/81/1129333281.db2.gz BQVZEFQJCTVPFM-HNNXBMFYSA-N 0 1 293.773 3.582 20 0 CHADMN Clc1ccc(CCN2CCC[C@@H]2c2ncccn2)cc1 ZINC000639865312 1129337110 /nfs/dbraw/zinc/33/71/10/1129337110.db2.gz HBLGTTNRGOXPGC-OAHLLOKOSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1cccc(CCCN2CCC[C@@H]2c2ncccn2)c1 ZINC000639871803 1129337310 /nfs/dbraw/zinc/33/73/10/1129337310.db2.gz QOCXSXJOIILAIX-QGZVFWFLSA-N 0 1 281.403 3.555 20 0 CHADMN C[C@H](CN(C)CC(=O)Nc1c(F)cccc1F)C(C)(C)C ZINC000640349229 1129355617 /nfs/dbraw/zinc/35/56/17/1129355617.db2.gz XLXYGVINTMWKCX-LLVKDONJSA-N 0 1 298.377 3.517 20 0 CHADMN c1cc(-c2noc([C@@H]3CC[C@H]4CCCC[C@@H]4N3)n2)cs1 ZINC000091355371 1129356416 /nfs/dbraw/zinc/35/64/16/1129356416.db2.gz UECHZSXNCDLMLR-WXHSDQCUSA-N 0 1 289.404 3.781 20 0 CHADMN C1CCC(c2noc([C@@H]3CC[C@H]4CCCC[C@@H]4N3)n2)C1 ZINC000091355387 1129356694 /nfs/dbraw/zinc/35/66/94/1129356694.db2.gz QQAJMKXDEODAFA-XBFCOCLRSA-N 0 1 275.396 3.711 20 0 CHADMN O=C(OCc1cccc(Cl)c1)c1c(F)cc(O)cc1F ZINC000735950457 1129361156 /nfs/dbraw/zinc/36/11/56/1129361156.db2.gz CXDCMUUMKAFCOL-UHFFFAOYSA-N 0 1 298.672 3.681 20 0 CHADMN CCc1n[nH]cc1-c1nc(-c2cccc(C)c2Cl)no1 ZINC001212885758 1129361295 /nfs/dbraw/zinc/36/12/95/1129361295.db2.gz XYDCJNVDVXFCJA-UHFFFAOYSA-N 0 1 288.738 3.651 20 0 CHADMN C[C@@H](c1cn(-c2ccccc2)nn1)N1CCCC2(CC2)CC1 ZINC000626114210 1129362899 /nfs/dbraw/zinc/36/28/99/1129362899.db2.gz XACJMNLDURRWCS-HNNXBMFYSA-N 0 1 296.418 3.594 20 0 CHADMN CC[C@H](C(=O)OCc1ccccc1Cl)N(CC)CC ZINC000735988711 1129364053 /nfs/dbraw/zinc/36/40/53/1129364053.db2.gz KMWQBLWMDDNIMB-CQSZACIVSA-N 0 1 283.799 3.504 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@H]2CCCc3cccnc32)s1 ZINC000091661263 1129367755 /nfs/dbraw/zinc/36/77/55/1129367755.db2.gz XPAFVHKJAUCADV-FZMZJTMJSA-N 0 1 287.432 3.883 20 0 CHADMN CC(C)OCCC[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000247471138 1129372356 /nfs/dbraw/zinc/37/23/56/1129372356.db2.gz GYIRSQSNWOMTKA-NUJGCVRESA-N 0 1 291.435 3.652 20 0 CHADMN CC(C)OCCCN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000247471138 1129372359 /nfs/dbraw/zinc/37/23/59/1129372359.db2.gz GYIRSQSNWOMTKA-NUJGCVRESA-N 0 1 291.435 3.652 20 0 CHADMN CCCC1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000050893706 1129374329 /nfs/dbraw/zinc/37/43/29/1129374329.db2.gz YSAABNJHPQSDIN-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN CC(C)c1n[nH]c(COC(=O)CCCCC(C)(C)C)n1 ZINC000795601855 1129380310 /nfs/dbraw/zinc/38/03/10/1129380310.db2.gz ZGNHPSAQIXSXDN-UHFFFAOYSA-N 0 1 281.400 3.578 20 0 CHADMN CC(C)c1nc(COC(=O)CCCCC(C)(C)C)n[nH]1 ZINC000795601855 1129380313 /nfs/dbraw/zinc/38/03/13/1129380313.db2.gz ZGNHPSAQIXSXDN-UHFFFAOYSA-N 0 1 281.400 3.578 20 0 CHADMN CCn1cc(CNCc2ccoc2C)c(-c2ccccc2)n1 ZINC000641709059 1129387603 /nfs/dbraw/zinc/38/76/03/1129387603.db2.gz DJWCHKIWNUFDSN-UHFFFAOYSA-N 0 1 295.386 3.761 20 0 CHADMN C[C@H]1CC[C@H](C)N1CC(=O)OCc1cccc(C(F)F)c1 ZINC000795632249 1129389402 /nfs/dbraw/zinc/38/94/02/1129389402.db2.gz VPKRQZGRZUZRBV-RYUDHWBXSA-N 0 1 297.345 3.540 20 0 CHADMN Nc1cnccc1CN[C@@H]1CCCc2sc(Cl)cc21 ZINC000641756098 1129390601 /nfs/dbraw/zinc/39/06/01/1129390601.db2.gz ATGFFUJVPWJBHG-GFCCVEGCSA-N 0 1 293.823 3.546 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2c(C)cccc2C)no1 ZINC000738300468 1129391895 /nfs/dbraw/zinc/39/18/95/1129391895.db2.gz VNHVLVNOMPBDLB-QGZVFWFLSA-N 0 1 270.376 3.937 20 0 CHADMN CCN(CC(=O)Nc1ccc(C(C)C)cc1)C1CCC1 ZINC000738312479 1129392619 /nfs/dbraw/zinc/39/26/19/1129392619.db2.gz QJMCNDOXNNVJIG-UHFFFAOYSA-N 0 1 274.408 3.623 20 0 CHADMN CC(C)c1nc(CN(C)[C@@H](C)CC2CC2)cs1 ZINC001258467337 1129394196 /nfs/dbraw/zinc/39/41/96/1129394196.db2.gz HNEHDSLYPZZFCZ-NSHDSACASA-N 0 1 252.427 3.887 20 0 CHADMN COc1ccccc1CN(Cc1ccccc1)C1CC1 ZINC000641864747 1129395693 /nfs/dbraw/zinc/39/56/93/1129395693.db2.gz PYQWTNBRRLSHGA-UHFFFAOYSA-N 0 1 267.372 3.860 20 0 CHADMN CCCc1cc(C(=O)N(CCC)Cc2ccc(C)cc2)n[nH]1 ZINC000641909066 1129397181 /nfs/dbraw/zinc/39/71/81/1129397181.db2.gz XNHBNDYTEYXZBB-UHFFFAOYSA-N 0 1 299.418 3.723 20 0 CHADMN C[C@@H](CC1CC1)N1CCc2c3ccccc3oc2C1 ZINC001258472107 1129404664 /nfs/dbraw/zinc/40/46/64/1129404664.db2.gz IXSYOKBLNLWKRT-LBPRGKRZSA-N 0 1 255.361 3.980 20 0 CHADMN Cc1ccccc1-c1noc(CN(C)[C@H](C)C(C)(C)C)n1 ZINC000642103103 1129406161 /nfs/dbraw/zinc/40/61/61/1129406161.db2.gz MQHQARXOGHMXEM-CYBMUJFWSA-N 0 1 287.407 3.911 20 0 CHADMN C[C@@H](N[C@@H](C)c1nccn1-c1ccccc1)[C@H]1CC1(F)F ZINC000642718676 1129424847 /nfs/dbraw/zinc/42/48/47/1129424847.db2.gz FSEGQGSDHXJTTG-MBNYWOFBSA-N 0 1 291.345 3.567 20 0 CHADMN C[C@H](OC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000741021774 1129426660 /nfs/dbraw/zinc/42/66/60/1129426660.db2.gz PKYDQNOXVQRIRR-XGUBFFRZSA-N 0 1 275.392 3.552 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N(C)CCC(=O)C(C)(C)C ZINC000741156845 1129429906 /nfs/dbraw/zinc/42/99/06/1129429906.db2.gz IEUIAWMFCXTISD-LLVKDONJSA-N 0 1 283.362 3.963 20 0 CHADMN C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](CN2CCSC2=O)C1 ZINC000795700264 1129431629 /nfs/dbraw/zinc/43/16/29/1129431629.db2.gz IJTILKOYOOPINA-UKRRQHHQSA-N 0 1 290.432 3.586 20 0 CHADMN C[C@@H]1CC[C@H](c2ccccc2)N(CN2CCSC2=O)C1 ZINC000795700264 1129431631 /nfs/dbraw/zinc/43/16/31/1129431631.db2.gz IJTILKOYOOPINA-UKRRQHHQSA-N 0 1 290.432 3.586 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@@H]1CC12CC2 ZINC000643333288 1129439066 /nfs/dbraw/zinc/43/90/66/1129439066.db2.gz QPUZEAVIQOAXHP-LBPRGKRZSA-N 0 1 281.359 3.569 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000094525531 1129446667 /nfs/dbraw/zinc/44/66/67/1129446667.db2.gz NDTBVRPIBUHVDR-KRWDZBQOSA-N 0 1 287.403 3.783 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccccc1C1CC1 ZINC000094529144 1129446938 /nfs/dbraw/zinc/44/69/38/1129446938.db2.gz RSRXTCUAYVKXLQ-INIZCTEOSA-N 0 1 287.403 3.783 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)C1CCCCCCC1 ZINC000741678688 1129448675 /nfs/dbraw/zinc/44/86/75/1129448675.db2.gz XBJNEIUDECEXSQ-UHFFFAOYSA-N 0 1 271.364 3.862 20 0 CHADMN CC(C)c1cnc(CN2CCC3(C2)CCCCC3)o1 ZINC000741805979 1129454528 /nfs/dbraw/zinc/45/45/28/1129454528.db2.gz AREUUGUERTVWCA-UHFFFAOYSA-N 0 1 262.397 3.954 20 0 CHADMN CC(C)c1cnc(CN2CCCC(C)(C)CC2)o1 ZINC000741805675 1129454942 /nfs/dbraw/zinc/45/49/42/1129454942.db2.gz REEXBAFEDAJBNV-UHFFFAOYSA-N 0 1 250.386 3.810 20 0 CHADMN CC1(C)CC[C@@H](N2CCc3c([nH]nc3C(F)(F)F)C2)C1 ZINC001258609793 1129460074 /nfs/dbraw/zinc/46/00/74/1129460074.db2.gz ZQZQSSHFGCHUKI-BXKDBHETSA-N 0 1 287.329 3.922 20 0 CHADMN FCCN(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000796114287 1129467008 /nfs/dbraw/zinc/46/70/08/1129467008.db2.gz QPYSUQZTXBXDKV-UHFFFAOYSA-N 0 1 275.289 3.887 20 0 CHADMN FCCN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000796138684 1129467162 /nfs/dbraw/zinc/46/71/62/1129467162.db2.gz BKAYXOHEDIRTCV-LBPRGKRZSA-N 0 1 275.289 3.854 20 0 CHADMN CCSc1cccc(CN[C@@H](C)c2c[nH]nc2C)c1 ZINC000644555793 1129470330 /nfs/dbraw/zinc/47/03/30/1129470330.db2.gz VJLXWESIWXSCQN-NSHDSACASA-N 0 1 275.421 3.681 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@H](C)c2cnc(C)cn2)cc1 ZINC000644626985 1129472566 /nfs/dbraw/zinc/47/25/66/1129472566.db2.gz REXMYZAHVNHLRK-ZIAGYGMSSA-N 0 1 285.391 3.596 20 0 CHADMN C[C@H](NCc1ccc(CO)o1)c1csc2ccccc21 ZINC000742370350 1129474821 /nfs/dbraw/zinc/47/48/21/1129474821.db2.gz NGHFNRPPHZNQDX-NSHDSACASA-N 0 1 287.384 3.837 20 0 CHADMN Cc1cccc(F)c1CNCc1cccc2cc[nH]c21 ZINC000742380283 1129476033 /nfs/dbraw/zinc/47/60/33/1129476033.db2.gz BTOHDHVGSRIAAM-UHFFFAOYSA-N 0 1 268.335 3.905 20 0 CHADMN Cc1cccc(F)c1CNCc1nccc2ccccc21 ZINC000742381137 1129476938 /nfs/dbraw/zinc/47/69/38/1129476938.db2.gz YGILVSQVWQMFFO-UHFFFAOYSA-N 0 1 280.346 3.972 20 0 CHADMN C[C@@H](CF)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000644891956 1129479561 /nfs/dbraw/zinc/47/95/61/1129479561.db2.gz KRUNMTRPNNICSI-ZDUSSCGKSA-N 0 1 291.341 3.852 20 0 CHADMN CC(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1cccc([O-])c1Cl ZINC000645160844 1129489342 /nfs/dbraw/zinc/48/93/42/1129489342.db2.gz LTEARERIZLVONY-BBRMVZONSA-N 0 1 297.826 3.586 20 0 CHADMN CC(C)O[C@H]1C[C@H]([NH2+]Cc2cccc([O-])c2Cl)C1(C)C ZINC000645171837 1129490090 /nfs/dbraw/zinc/49/00/90/1129490090.db2.gz RZWGPWIXPVTKOW-KBPBESRZSA-N 0 1 297.826 3.727 20 0 CHADMN O=C(/C=C\C1CC1)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000742605812 1129490696 /nfs/dbraw/zinc/49/06/96/1129490696.db2.gz ZETAJYPMFMOTNX-TWGQIWQCSA-N 0 1 281.359 3.735 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1cn2cccc(F)c2n1 ZINC000645199469 1129491665 /nfs/dbraw/zinc/49/16/65/1129491665.db2.gz FMEYGWXUZLGFMI-UHFFFAOYSA-N 0 1 297.377 3.807 20 0 CHADMN CCCCCC[C@](C)(CCC)C(=O)Nc1nnc(C)[nH]1 ZINC000742634127 1129491856 /nfs/dbraw/zinc/49/18/56/1129491856.db2.gz WINOYSFAYDODIR-HNNXBMFYSA-N 0 1 280.416 3.828 20 0 CHADMN CCCCCC[C@](C)(CC)C(=O)N[C@@H]1CCCN(C)C1 ZINC000742641064 1129492558 /nfs/dbraw/zinc/49/25/58/1129492558.db2.gz ZICBXPPIKDOVGF-WBVHZDCISA-N 0 1 282.472 3.584 20 0 CHADMN Cc1nccc(N2C[C@@H](C)OC3(CCCC3)C2)c1Cl ZINC000645405112 1129497278 /nfs/dbraw/zinc/49/72/78/1129497278.db2.gz BKMWYSGBPPPNRE-LLVKDONJSA-N 0 1 280.799 3.581 20 0 CHADMN CN(CCC[C@@H]1CCOC1)Cc1nc2ccccc2s1 ZINC000645773319 1129506006 /nfs/dbraw/zinc/50/60/06/1129506006.db2.gz UVVHPFRSMRGJCH-CYBMUJFWSA-N 0 1 290.432 3.545 20 0 CHADMN Cc1cccc(CNC2(c3cccc(F)c3)CCC2)n1 ZINC000646001811 1129515937 /nfs/dbraw/zinc/51/59/37/1129515937.db2.gz PCHNCIYQAVELOK-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN Cc1cccc(C2(NCc3cc(C)ccn3)CCC2)c1 ZINC000646022640 1129518159 /nfs/dbraw/zinc/51/81/59/1129518159.db2.gz YHURIGBXGBQZJJ-UHFFFAOYSA-N 0 1 266.388 3.867 20 0 CHADMN COc1ccc(CN(C)Cc2ccsc2C)cc1OC ZINC000646047645 1129519155 /nfs/dbraw/zinc/51/91/55/1129519155.db2.gz SXIJMIBUHLENMQ-UHFFFAOYSA-N 0 1 291.416 3.706 20 0 CHADMN CC1(C)CCC[C@@H]1[C@@H]1CCN(Cc2nc(C3CC3)no2)C1 ZINC000646049735 1129519377 /nfs/dbraw/zinc/51/93/77/1129519377.db2.gz UIRLCDWBWVPHBL-ZIAGYGMSSA-N 0 1 289.423 3.595 20 0 CHADMN CN(CCC(C)(C)C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000646027161 1129519616 /nfs/dbraw/zinc/51/96/16/1129519616.db2.gz MVPDSSUOJKBFNW-UHFFFAOYSA-N 0 1 291.370 3.744 20 0 CHADMN CCC[C@H]1CC(=O)N(CN(Cc2ccccc2)C(C)C)C1 ZINC000743347211 1129521556 /nfs/dbraw/zinc/52/15/56/1129521556.db2.gz KTDFALIUHAYLBF-KRWDZBQOSA-N 0 1 288.435 3.503 20 0 CHADMN CC[C@@H](N[C@@H](C)c1c[nH]nc1C)c1cc(F)ccc1F ZINC000180913141 1129521672 /nfs/dbraw/zinc/52/16/72/1129521672.db2.gz LETWJWVMSCWSRF-BJOHPYRUSA-N 0 1 279.334 3.798 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N1CCN(CC)[C@H](C)C1 ZINC001137569118 1131379658 /nfs/dbraw/zinc/37/96/58/1131379658.db2.gz RHBYHGJWMBVOKW-JKSUJKDBSA-N 0 1 282.472 3.536 20 0 CHADMN COc1ccncc1CNC1(c2ccc(C)cc2)CCC1 ZINC000646130212 1129525228 /nfs/dbraw/zinc/52/52/28/1129525228.db2.gz MAANSBNDVHTSIA-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN Cc1ccc(C2(NCc3cc(C)ccn3)CCC2)cc1 ZINC000646130848 1129525378 /nfs/dbraw/zinc/52/53/78/1129525378.db2.gz MZEFJNFGPSMIEP-UHFFFAOYSA-N 0 1 266.388 3.867 20 0 CHADMN CCc1nn(C)cc1CN1CC2(CCC2)[C@H]1c1ccccc1 ZINC000646228454 1129529530 /nfs/dbraw/zinc/52/95/30/1129529530.db2.gz NJISQEAVPPRJHW-GOSISDBHSA-N 0 1 295.430 3.710 20 0 CHADMN Clc1cscc1CN1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000646270300 1129530459 /nfs/dbraw/zinc/53/04/59/1129530459.db2.gz MCNKEAMSSOQSKU-AWEZNQCLSA-N 0 1 297.851 3.793 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)CN(C)C2CCC2)cc1 ZINC000743853180 1129539696 /nfs/dbraw/zinc/53/96/96/1129539696.db2.gz WRBCYYYXAQEFJL-ZDUSSCGKSA-N 0 1 274.408 3.623 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)CN(C)C2CCC2)cc1 ZINC000743853179 1129539735 /nfs/dbraw/zinc/53/97/35/1129539735.db2.gz WRBCYYYXAQEFJL-CYBMUJFWSA-N 0 1 274.408 3.623 20 0 CHADMN CC(C)c1cccc(NC(=O)[C@H]2C[C@@H](C)Cc3cn[nH]c32)c1 ZINC000646609365 1129540614 /nfs/dbraw/zinc/54/06/14/1129540614.db2.gz MEEFTICMSFEADA-LRDDRELGSA-N 0 1 297.402 3.838 20 0 CHADMN Cc1cccc(-c2nnc([C@@H](C)N3CCC(C)(C)C3)o2)c1 ZINC000743862682 1129541474 /nfs/dbraw/zinc/54/14/74/1129541474.db2.gz GIUZETHFQLGHHX-CYBMUJFWSA-N 0 1 285.391 3.838 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])o1 ZINC000251805115 1129542565 /nfs/dbraw/zinc/54/25/65/1129542565.db2.gz GLUCCLKXIFILNP-VNHYZAJKSA-N 0 1 291.391 3.622 20 0 CHADMN CC(C)=C[C@@H]1[C@@H](c2nc([C@@H](N)CC(C)C)no2)C1(C)C ZINC000647133229 1129551403 /nfs/dbraw/zinc/55/14/03/1129551403.db2.gz PJWXOUPZVHFLQB-AGIUHOORSA-N 0 1 277.412 3.821 20 0 CHADMN C(=C/c1ccc(C2CC2)cc1)\c1nc([C@H]2CCCN2)no1 ZINC000647144286 1129552118 /nfs/dbraw/zinc/55/21/18/1129552118.db2.gz SVSBABFQXXCTTJ-HYJLXUOHSA-N 0 1 281.359 3.542 20 0 CHADMN CC(C)[C@H](CCc1ccccc1)c1nc([C@H]2CCCN2)no1 ZINC000647145567 1129552264 /nfs/dbraw/zinc/55/22/64/1129552264.db2.gz ZMPSOSNZUBJORG-JKSUJKDBSA-N 0 1 299.418 3.867 20 0 CHADMN CCC[C@H](NCc1ccnn1CC(C)C)c1ccccn1 ZINC000647179766 1129554992 /nfs/dbraw/zinc/55/49/92/1129554992.db2.gz OCYRKKHJZNZTCY-INIZCTEOSA-N 0 1 286.423 3.565 20 0 CHADMN COc1ccc(F)c(CNC2(c3ccccc3C)CC2)c1 ZINC000647224447 1129557768 /nfs/dbraw/zinc/55/77/68/1129557768.db2.gz IHLYDPDEHDDYOE-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN COc1cc(F)cc(CNC2(c3ccccc3C)CC2)c1 ZINC000647224359 1129557777 /nfs/dbraw/zinc/55/77/77/1129557777.db2.gz CTAUOXUVNSCTFE-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN Cc1ccoc1CNC1(c2cccc(F)c2)CCC1 ZINC000647233387 1129558938 /nfs/dbraw/zinc/55/89/38/1129558938.db2.gz OKISGCAGNXVIIO-UHFFFAOYSA-N 0 1 259.324 3.896 20 0 CHADMN COc1ccccc1C1(NCc2cccc3[nH]ccc32)CC1 ZINC000647232836 1129559082 /nfs/dbraw/zinc/55/90/82/1129559082.db2.gz GYLXUYGJXJQZAI-UHFFFAOYSA-N 0 1 292.382 3.955 20 0 CHADMN C[C@@H](NC[C@H]1CCCCC1(F)F)c1cc2n(n1)CCCC2 ZINC000647305321 1129566188 /nfs/dbraw/zinc/56/61/88/1129566188.db2.gz FSGVXDDTOXHZOQ-CHWSQXEVSA-N 0 1 297.393 3.696 20 0 CHADMN Cc1ccoc1CN[C@@H](CC(C)C)c1ccncc1 ZINC000647304448 1129566353 /nfs/dbraw/zinc/56/63/53/1129566353.db2.gz OGPHQSNAAVDIKS-HNNXBMFYSA-N 0 1 258.365 3.860 20 0 CHADMN CCC(C)(C)COC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000744331849 1129571667 /nfs/dbraw/zinc/57/16/67/1129571667.db2.gz YZSGEUFGOOEQQP-UHFFFAOYSA-N 0 1 276.336 3.571 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccccc1F)c1cccs1 ZINC000647346230 1129571751 /nfs/dbraw/zinc/57/17/51/1129571751.db2.gz SSSNEEVSGNEXOS-FZMZJTMJSA-N 0 1 279.380 3.662 20 0 CHADMN Cc1cc([C@H](C)N[C@H](CCO)c2ccccc2F)cs1 ZINC000647344176 1129572142 /nfs/dbraw/zinc/57/21/42/1129572142.db2.gz LCEVFWVWEDJZCS-BLLLJJGKSA-N 0 1 293.407 3.970 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccccc1F)c1ccsc1 ZINC000647346043 1129572553 /nfs/dbraw/zinc/57/25/53/1129572553.db2.gz QOOFZJGVJBVUHJ-NHYWBVRUSA-N 0 1 279.380 3.662 20 0 CHADMN CC[C@H](N[C@H](CCO)c1ccccc1F)c1ccccc1 ZINC000647346702 1129572773 /nfs/dbraw/zinc/57/27/73/1129572773.db2.gz ZQHJZUSTBIFBFJ-ZWKOTPCHSA-N 0 1 287.378 3.990 20 0 CHADMN C[C@@H](NC1(c2cccc(Cl)c2)CCC1)c1cn[nH]c1 ZINC000647348963 1129573412 /nfs/dbraw/zinc/57/34/12/1129573412.db2.gz LXTYKEJBFBHYBY-LLVKDONJSA-N 0 1 275.783 3.793 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N(CC)Cc1nonc1C ZINC000744412495 1129576226 /nfs/dbraw/zinc/57/62/26/1129576226.db2.gz ZYYIINGOTQJXSY-INIZCTEOSA-N 0 1 287.407 3.530 20 0 CHADMN CCc1nocc1CN[C@@H](c1ccccc1)C(C)C ZINC000647956970 1129589178 /nfs/dbraw/zinc/58/91/78/1129589178.db2.gz XGRIEPPLSMDVRH-MRXNPFEDSA-N 0 1 258.365 3.724 20 0 CHADMN Fc1ccc(CN2CCC[C@H](c3ccccn3)C2)cc1F ZINC000647951198 1129589222 /nfs/dbraw/zinc/58/92/22/1129589222.db2.gz OORBRLAZDTYUTJ-AWEZNQCLSA-N 0 1 288.341 3.739 20 0 CHADMN CCc1nocc1CN1CCCCC[C@@H]1c1ccco1 ZINC000647964702 1129590179 /nfs/dbraw/zinc/59/01/79/1129590179.db2.gz VEHGASOXFUJBLV-OAHLLOKOSA-N 0 1 274.364 3.947 20 0 CHADMN Cc1nnsc1CN(Cc1ccccc1)C(C)(C)C ZINC000647966820 1129590396 /nfs/dbraw/zinc/59/03/96/1129590396.db2.gz IXAZUGMWSLPZKS-UHFFFAOYSA-N 0 1 275.421 3.647 20 0 CHADMN CC(C)Cn1nccc1CN1CCC[C@@H]1c1cccs1 ZINC000647999583 1129591342 /nfs/dbraw/zinc/59/13/42/1129591342.db2.gz QGVDQFOHDTZHSJ-OAHLLOKOSA-N 0 1 289.448 3.938 20 0 CHADMN CCN(Cc1ccoc1)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648005871 1129592082 /nfs/dbraw/zinc/59/20/82/1129592082.db2.gz WHPPKGMHGHALPS-UHFFFAOYSA-N 0 1 299.374 3.604 20 0 CHADMN CC(C)[C@H]1N(Cc2nc3c(s2)CCC3)CC12CC=CC2 ZINC000648072530 1129596145 /nfs/dbraw/zinc/59/61/45/1129596145.db2.gz HLOPTUDTLSLQPR-MRXNPFEDSA-N 0 1 288.460 3.808 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)CCC3(C)CC3)c2C)o1 ZINC000822519745 1131384579 /nfs/dbraw/zinc/38/45/79/1131384579.db2.gz NKOGBOGUZYBHPR-UHFFFAOYSA-N 0 1 287.363 3.805 20 0 CHADMN CC(C)CCCC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000648308265 1129602535 /nfs/dbraw/zinc/60/25/35/1129602535.db2.gz WLOQDVOZROCMRT-UHFFFAOYSA-N 0 1 293.798 3.659 20 0 CHADMN C[C@H]1SCC[N@@H+](Cc2cc3cc(Cl)cnc3o2)[C@H]1C ZINC000648374762 1129604450 /nfs/dbraw/zinc/60/44/50/1129604450.db2.gz WGKZRVVMTVLQAZ-VHSXEESVSA-N 0 1 296.823 3.807 20 0 CHADMN Cc1cc(CN2CC3CC(C3)C2)ccc1Br ZINC001137617351 1131385705 /nfs/dbraw/zinc/38/57/05/1131385705.db2.gz FCBXFXZJPAALKH-UHFFFAOYSA-N 0 1 280.209 3.599 20 0 CHADMN CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1cccc2nc[nH]c21 ZINC001136595965 1131386100 /nfs/dbraw/zinc/38/61/00/1131386100.db2.gz QPAPFPOOFVYDTK-UKRRQHHQSA-N 0 1 299.418 3.898 20 0 CHADMN CCOc1ccccc1-c1cc2nc[nH]c2cc1F ZINC001239560453 1131386411 /nfs/dbraw/zinc/38/64/11/1131386411.db2.gz VAVYTNLHPHMOOG-UHFFFAOYSA-N 0 1 256.280 3.768 20 0 CHADMN CSc1ccccc1C[C@@H](C)NCc1cscn1 ZINC000183473157 1129626435 /nfs/dbraw/zinc/62/64/35/1129626435.db2.gz GHTOUSYEMIWIKN-LLVKDONJSA-N 0 1 278.446 3.586 20 0 CHADMN C[C@@H](NCC1CCC1)c1nc(C2CCCCC2)no1 ZINC000185219751 1129632108 /nfs/dbraw/zinc/63/21/08/1129632108.db2.gz VLXIQPOTENQJIP-LLVKDONJSA-N 0 1 263.385 3.568 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1ccc(C(F)F)cc1 ZINC000185358560 1129632151 /nfs/dbraw/zinc/63/21/51/1129632151.db2.gz CNABYOUDMUZJLE-SECBINFHSA-N 0 1 265.307 3.507 20 0 CHADMN C[C@@H](NCc1nc(C2CC2)no1)[C@H](C)C1CCCCC1 ZINC000185501629 1129633078 /nfs/dbraw/zinc/63/30/78/1129633078.db2.gz QAYYSLDROCAUCI-NWDGAFQWSA-N 0 1 277.412 3.642 20 0 CHADMN CCC(CC)CN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187980722 1129636945 /nfs/dbraw/zinc/63/69/45/1129636945.db2.gz GZTZBMZIFDVKSI-HNNXBMFYSA-N 0 1 275.371 3.664 20 0 CHADMN CCCCCc1ccc(NC(=O)CCc2cnc[nH]2)cc1 ZINC000188982870 1129638291 /nfs/dbraw/zinc/63/82/91/1129638291.db2.gz RDTHBSIEORSFGP-UHFFFAOYSA-N 0 1 285.391 3.714 20 0 CHADMN CCCC[C@@H]([NH2+][C@H](C)c1nc(C)cc(=O)[n-]1)C1CCC1 ZINC000192777875 1129644047 /nfs/dbraw/zinc/64/40/47/1129644047.db2.gz UQMTXCCHGICCSV-TZMCWYRMSA-N 0 1 277.412 3.500 20 0 CHADMN C[C@]1(CN(Cc2cccnc2)C2CC2)CC1(Cl)Cl ZINC000828510919 1131387915 /nfs/dbraw/zinc/38/79/15/1131387915.db2.gz GIHUBTPSMQWENZ-CYBMUJFWSA-N 0 1 285.218 3.630 20 0 CHADMN CN(C)Cc1ccc(-c2cncc(C(F)F)c2)cc1F ZINC000649438023 1129648567 /nfs/dbraw/zinc/64/85/67/1129648567.db2.gz PQYIIEFNSYWCMZ-UHFFFAOYSA-N 0 1 280.293 3.887 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1F ZINC000649438094 1129648578 /nfs/dbraw/zinc/64/85/78/1129648578.db2.gz SXHAYFVRHWEKAY-UHFFFAOYSA-N 0 1 298.283 3.968 20 0 CHADMN C[C@H]1c2cc(F)cc(F)c2CCN1[C@@H]1C=CCCC1 ZINC001459767287 1129650321 /nfs/dbraw/zinc/65/03/21/1129650321.db2.gz MLPDHPRJYSKQPT-WCQYABFASA-N 0 1 263.331 3.993 20 0 CHADMN Fc1cc(Br)ccc1CN1CC[C@@H]2CCC[C@H]21 ZINC000383094906 1129650668 /nfs/dbraw/zinc/65/06/68/1129650668.db2.gz MHGBDDMZSRLBPY-IINYFYTJSA-N 0 1 298.199 3.963 20 0 CHADMN C[C@H](C1CC1)N(Cc1cc2n(n1)CCC2)Cc1ccccc1 ZINC000649487541 1129653696 /nfs/dbraw/zinc/65/36/96/1129653696.db2.gz FOHUNSYKYATZEZ-OAHLLOKOSA-N 0 1 295.430 3.630 20 0 CHADMN CCOc1ccc(-c2ccc3nc(C)[nH]c3c2)cc1 ZINC001239563904 1131388531 /nfs/dbraw/zinc/38/85/31/1131388531.db2.gz UEUHANVUALJHOM-UHFFFAOYSA-N 0 1 252.317 3.937 20 0 CHADMN Cc1nc([C@@H](C)NCCOCc2ccccc2)c(C)s1 ZINC000390182389 1129657636 /nfs/dbraw/zinc/65/76/36/1129657636.db2.gz KGCLRQFLWLMLLO-GFCCVEGCSA-N 0 1 290.432 3.627 20 0 CHADMN c1c(CN[C@H](c2ccccc2)C2CCC2)nn2c1CCCC2 ZINC000649559218 1129657814 /nfs/dbraw/zinc/65/78/14/1129657814.db2.gz UMGXHCBMDGMWSN-LJQANCHMSA-N 0 1 295.430 3.850 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cc2n(n1)CCC2)C(C)C ZINC000649575591 1129659322 /nfs/dbraw/zinc/65/93/22/1129659322.db2.gz VHRVLGQLLVHARW-SFHVURJKSA-N 0 1 283.419 3.625 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cnn(C(C)C)c2)c(C)s1 ZINC001459901778 1129661823 /nfs/dbraw/zinc/66/18/23/1129661823.db2.gz OKAWPCOAXONJQD-LBPRGKRZSA-N 0 1 277.437 3.993 20 0 CHADMN c1c(CN2CCC[C@H](c3ccccc3)C2)nn2c1CCCC2 ZINC000649617545 1129663371 /nfs/dbraw/zinc/66/33/71/1129663371.db2.gz NHWLKAZBRGECKE-KRWDZBQOSA-N 0 1 295.430 3.599 20 0 CHADMN Cc1ccnc(CNC2(c3ccccc3C)CCC2)c1 ZINC000649644846 1129665811 /nfs/dbraw/zinc/66/58/11/1129665811.db2.gz UXWRRRVYJADGMG-UHFFFAOYSA-N 0 1 266.388 3.867 20 0 CHADMN CC1(C)CCN1Cc1c(Cl)ccc2cccnc21 ZINC000746462485 1129668027 /nfs/dbraw/zinc/66/80/27/1129668027.db2.gz DCOVNLITEJFBMJ-UHFFFAOYSA-N 0 1 260.768 3.873 20 0 CHADMN CC(C)(C(=O)Nc1ccc2[nH]nnc2c1)C1CCCCC1 ZINC000766493449 1129670337 /nfs/dbraw/zinc/67/03/37/1129670337.db2.gz XJQAGAHBZBVXGJ-UHFFFAOYSA-N 0 1 286.379 3.503 20 0 CHADMN COc1cc(CN2CCC[C@@H](OC(C)C)C2)ccc1Cl ZINC000649704106 1129673247 /nfs/dbraw/zinc/67/32/47/1129673247.db2.gz WUIMTJYBTJNCFL-CQSZACIVSA-N 0 1 297.826 3.738 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(C(F)F)cc2)[C@@H](C)CO1 ZINC000649736224 1129673756 /nfs/dbraw/zinc/67/37/56/1129673756.db2.gz YARFLUBFXJYCOX-SMDDNHRTSA-N 0 1 269.335 3.624 20 0 CHADMN FC1(F)CC12CCN(Cc1ccccc1Cl)CC2 ZINC000649773429 1129675987 /nfs/dbraw/zinc/67/59/87/1129675987.db2.gz SDRBUAWOUPPERV-UHFFFAOYSA-N 0 1 271.738 3.961 20 0 CHADMN Cc1ccc([C@H](C)Nc2nc(C)cc3cc[nH]c32)nc1 ZINC001168849523 1129679595 /nfs/dbraw/zinc/67/95/95/1129679595.db2.gz ADDRLEBVEJQCJI-LBPRGKRZSA-N 0 1 266.348 3.748 20 0 CHADMN S=C1N=CC(c2ccc(NCCC3CCC3)cc2)N1 ZINC001168888472 1129680147 /nfs/dbraw/zinc/68/01/47/1129680147.db2.gz CJXCUHDLXDTGIN-UHFFFAOYSA-N 0 1 273.405 3.968 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CCc2ccccc2[C@@H](C)C1 ZINC000649832986 1129680799 /nfs/dbraw/zinc/68/07/99/1129680799.db2.gz AVPFSHOCQDMGKL-STQMWFEESA-N 0 1 297.402 3.670 20 0 CHADMN CC(C)n1ccnc1CN1CCc2ccccc2[C@@H](C)C1 ZINC000649834986 1129681810 /nfs/dbraw/zinc/68/18/10/1129681810.db2.gz WLNBIDUOPPBNIB-HNNXBMFYSA-N 0 1 283.419 3.626 20 0 CHADMN Cc1nc(CN2CCc3ccc(F)cc3[C@@H](C)C2)oc1C ZINC000649894765 1129684185 /nfs/dbraw/zinc/68/41/85/1129684185.db2.gz UKFYQQALXUZZKS-NSHDSACASA-N 0 1 288.366 3.592 20 0 CHADMN C[C@H](CC(=O)Nc1cc(N(C)C)ccn1)CC(C)(C)C ZINC001137799534 1131418006 /nfs/dbraw/zinc/41/80/06/1131418006.db2.gz BSDYWBLDHBEIDT-GFCCVEGCSA-N 0 1 277.412 3.549 20 0 CHADMN C[C@H](C(=O)Nc1cccc(F)c1)N1CC[C@@H](C)C(C)(C)C1 ZINC001169091509 1129700746 /nfs/dbraw/zinc/70/07/46/1129700746.db2.gz PAFUESSJCOBKPX-CHWSQXEVSA-N 0 1 292.398 3.521 20 0 CHADMN CCCC[C@@H](CC)CN[C@@H](CC)c1noc(C)n1 ZINC001169113181 1129703566 /nfs/dbraw/zinc/70/35/66/1129703566.db2.gz SEYGPRVCWCSVSV-OLZOCXBDSA-N 0 1 253.390 3.635 20 0 CHADMN Cc1c2nc[nH]c2ccc1N[C@@H]1CCCC(F)(F)C1 ZINC001169218280 1129709273 /nfs/dbraw/zinc/70/92/73/1129709273.db2.gz LDEYMMNXGLBIEJ-SNVBAGLBSA-N 0 1 265.307 3.861 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCCc1cccc2ccccc21 ZINC000650516971 1129711847 /nfs/dbraw/zinc/71/18/47/1129711847.db2.gz SWBCMKVUTAHFTJ-KRWDZBQOSA-N 0 1 285.387 3.567 20 0 CHADMN Cc1nc2cncc(N[C@@H]3C[C@H](C)c4ccccc43)c2[nH]1 ZINC001169382668 1129721037 /nfs/dbraw/zinc/72/10/37/1129721037.db2.gz XFTGUKXRUUPGSH-IINYFYTJSA-N 0 1 278.359 3.927 20 0 CHADMN CC[C@@H](C)c1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000766693004 1129726094 /nfs/dbraw/zinc/72/60/94/1129726094.db2.gz RJWRASXWRCHGTQ-WBMJQRKESA-N 0 1 297.402 3.731 20 0 CHADMN CCOC(=O)[C@H](CC)N(CC)C[C@H](CC)c1ccccc1 ZINC001169483789 1129728727 /nfs/dbraw/zinc/72/87/27/1129728727.db2.gz VCMMOGQKCJKWJF-RDJZCZTQSA-N 0 1 291.435 3.844 20 0 CHADMN Cc1cc(CN2CCCCC[C@H]2C)cnc1Br ZINC001169463495 1129729747 /nfs/dbraw/zinc/72/97/47/1129729747.db2.gz WKMXZRHWPYPPJK-GFCCVEGCSA-N 0 1 297.240 3.917 20 0 CHADMN CCOc1ccc(Br)cc1CN1CCC[C@@H]1C ZINC001138989319 1129730501 /nfs/dbraw/zinc/73/05/01/1129730501.db2.gz CIJYJCQQTLUDQS-NSHDSACASA-N 0 1 298.224 3.832 20 0 CHADMN Cc1csc([C@@H](C)NCc2cccc3c2CCC3)n1 ZINC000651698981 1129744330 /nfs/dbraw/zinc/74/43/30/1129744330.db2.gz CFHVYSGFRPRBLK-GFCCVEGCSA-N 0 1 272.417 3.791 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cccc3c1CCC3)CCO2 ZINC000651699960 1129744652 /nfs/dbraw/zinc/74/46/52/1129744652.db2.gz NMLCFIHVZIVYHO-SFHVURJKSA-N 0 1 297.373 3.928 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2cccc3c2CCC3)n[nH]1 ZINC000651785512 1129748049 /nfs/dbraw/zinc/74/80/49/1129748049.db2.gz GFBXKHVUTTVPAY-OLZOCXBDSA-N 0 1 298.434 3.658 20 0 CHADMN Cc1ccc(CN2CC(C3CCOCC3)C2)c(Cl)c1 ZINC000651794509 1129748782 /nfs/dbraw/zinc/74/87/82/1129748782.db2.gz DPHGSOJVMCDECO-UHFFFAOYSA-N 0 1 279.811 3.507 20 0 CHADMN Cc1c(C)c(C)c(CN2CCOCC23CC3)c(C)c1C ZINC001169723306 1129751217 /nfs/dbraw/zinc/75/12/17/1129751217.db2.gz BUXIMQKRSQKYCB-UHFFFAOYSA-N 0 1 273.420 3.594 20 0 CHADMN CC[C@@H]1CN(Cc2ccnc3ccccc23)[C@H](CC)CO1 ZINC000651912086 1129751340 /nfs/dbraw/zinc/75/13/40/1129751340.db2.gz KKZYQOIBEULEHN-HZPDHXFCSA-N 0 1 284.403 3.624 20 0 CHADMN CO[C@@H](C)CNc1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC001169778499 1129754078 /nfs/dbraw/zinc/75/40/78/1129754078.db2.gz REYBGRFKHXIZSY-HNNXBMFYSA-N 0 1 296.414 3.649 20 0 CHADMN Cc1ccc(F)c(CN(C)C[C@@H]2C[C@H]3CCC[C@@H]3O2)c1 ZINC001169822371 1129759336 /nfs/dbraw/zinc/75/93/36/1129759336.db2.gz SVOZSDQLENVOEX-KMFMINBZSA-N 0 1 277.383 3.524 20 0 CHADMN Cc1nnsc1CN[C@@H](CC(C)C)c1ccc(F)cc1 ZINC000652202021 1129759303 /nfs/dbraw/zinc/75/93/03/1129759303.db2.gz YGCGFUZTFDUWEI-AWEZNQCLSA-N 0 1 293.411 3.863 20 0 CHADMN Cc1ccc(F)c(CN(C)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1 ZINC001169822372 1129759419 /nfs/dbraw/zinc/75/94/19/1129759419.db2.gz SVOZSDQLENVOEX-QRTARXTBSA-N 0 1 277.383 3.524 20 0 CHADMN Cc1ccccc1C1(N[C@H](C)c2cc3n(n2)CCC3)CCC1 ZINC000652217278 1129759962 /nfs/dbraw/zinc/75/99/62/1129759962.db2.gz SUNNZFNXJYMJSV-OAHLLOKOSA-N 0 1 295.430 3.868 20 0 CHADMN CC[C@H](N[C@H](C)c1c[nH]nc1C)c1ccccc1F ZINC000652248849 1129761122 /nfs/dbraw/zinc/76/11/22/1129761122.db2.gz FALNYEQDHBXUAR-BMIGLBTASA-N 0 1 261.344 3.659 20 0 CHADMN C[C@H](N[C@@H]1CC(C)(C)Oc2ccc(F)cc21)c1cn[nH]c1 ZINC000652267277 1129761456 /nfs/dbraw/zinc/76/14/56/1129761456.db2.gz QIUDPBZKKBHPMW-IINYFYTJSA-N 0 1 289.354 3.502 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000652389342 1129764314 /nfs/dbraw/zinc/76/43/14/1129764314.db2.gz PPVNXIVIMFXWQI-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN Cc1c(C)c(C)c(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)c(C)c1C ZINC000652504024 1129765947 /nfs/dbraw/zinc/76/59/47/1129765947.db2.gz STWRSMLBCLFERI-HZPDHXFCSA-N 0 1 289.419 3.524 20 0 CHADMN CCC(C)=CC(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 ZINC000822729771 1131396657 /nfs/dbraw/zinc/39/66/57/1131396657.db2.gz AFGUKHIMJJPNJT-PKNBQFBNSA-N 0 1 283.375 3.988 20 0 CHADMN Cc1cccc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)c1F ZINC001137673825 1131396727 /nfs/dbraw/zinc/39/67/27/1131396727.db2.gz SXGTZRWGNNKREY-BETUJISGSA-N 0 1 269.310 3.611 20 0 CHADMN CSc1ccccc1[C@H]1CCCN1Cc1cncnc1 ZINC001137670252 1131396944 /nfs/dbraw/zinc/39/69/44/1131396944.db2.gz GPAAVPIMBIHIGD-OAHLLOKOSA-N 0 1 285.416 3.536 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(Cl)n2)cc1C ZINC000832634617 1129782694 /nfs/dbraw/zinc/78/26/94/1129782694.db2.gz RSUREDHYJIHFOQ-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN COc1ccc(C(C)C)cc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000653664122 1129790801 /nfs/dbraw/zinc/79/08/01/1129790801.db2.gz BHHFTHOOEJTRDU-AWEZNQCLSA-N 0 1 299.361 3.632 20 0 CHADMN COc1ccc(C(C)C)cc1CN1CC[C@H](OC(F)F)C1 ZINC000653664122 1129790803 /nfs/dbraw/zinc/79/08/03/1129790803.db2.gz BHHFTHOOEJTRDU-AWEZNQCLSA-N 0 1 299.361 3.632 20 0 CHADMN O=C(CCN1CCC(=Cc2ccccc2F)CC1)C1CC1 ZINC000767415097 1129791395 /nfs/dbraw/zinc/79/13/95/1129791395.db2.gz LDIMWOLQOSSZTF-UHFFFAOYSA-N 0 1 287.378 3.674 20 0 CHADMN Cc1nc2ccc(COc3c(C)ccnc3Cl)cc2[nH]1 ZINC000767393629 1129791867 /nfs/dbraw/zinc/79/18/67/1129791867.db2.gz HCYUTSVXNIKENF-UHFFFAOYSA-N 0 1 287.750 3.807 20 0 CHADMN Cc1ccc(Cl)cc1-c1noc([C@@H]2C[C@H](C)CCN2)n1 ZINC000822803701 1131398198 /nfs/dbraw/zinc/39/81/98/1131398198.db2.gz OJYQUSDLCNFYOP-RNCFNFMXSA-N 0 1 291.782 3.759 20 0 CHADMN CC[C@@H](NCc1csc(C(C)C)n1)[C@H]1CCCCO1 ZINC000653879925 1129800286 /nfs/dbraw/zinc/80/02/86/1129800286.db2.gz ZYCXXJHZBASVHH-ZIAGYGMSSA-N 0 1 282.453 3.704 20 0 CHADMN CC(C)CCN[C@@H](Cc1ccccc1)c1ncco1 ZINC000653909305 1129801157 /nfs/dbraw/zinc/80/11/57/1129801157.db2.gz FKHBHRYUZDWVGY-HNNXBMFYSA-N 0 1 258.365 3.594 20 0 CHADMN CCCCC[C@H]1CCCN1Cn1cccnc1=S ZINC000767764565 1129813412 /nfs/dbraw/zinc/81/34/12/1129813412.db2.gz YXOSYDYYVBIPCP-ZDUSSCGKSA-N 0 1 265.426 3.615 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2occc2Br)C1 ZINC000768138555 1129836799 /nfs/dbraw/zinc/83/67/99/1129836799.db2.gz ZCWVOUBOVWHMEF-AOOOYVTPSA-N 0 1 272.186 3.520 20 0 CHADMN c1c2ccccc2sc1CN1CCc2ncccc2C1 ZINC001137685732 1131400753 /nfs/dbraw/zinc/40/07/53/1131400753.db2.gz ULZISLDXHSYNSQ-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN Cc1cc(CN(C)CCOc2ccc(F)cc2)c(C)o1 ZINC000768213768 1129843656 /nfs/dbraw/zinc/84/36/56/1129843656.db2.gz SQWGNKWKHLLZGZ-UHFFFAOYSA-N 0 1 277.339 3.546 20 0 CHADMN CCN(Cc1c(F)cc(Cl)cc1F)C1CCOCC1 ZINC001139051748 1129856105 /nfs/dbraw/zinc/85/61/05/1129856105.db2.gz XOROEYNJPSBBDA-UHFFFAOYSA-N 0 1 289.753 3.619 20 0 CHADMN Cc1cccc2oc(-c3nc(C4(N)CCCC4)no3)cc21 ZINC000900005227 1129856906 /nfs/dbraw/zinc/85/69/06/1129856906.db2.gz CGKABNXABDYICV-UHFFFAOYSA-N 0 1 283.331 3.519 20 0 CHADMN COc1ccccc1[C@@H](NC1CC(C)C1)c1ccccn1 ZINC000768513699 1129859348 /nfs/dbraw/zinc/85/93/48/1129859348.db2.gz MDULSGLRSUDCMC-WTNGLUPJSA-N 0 1 282.387 3.568 20 0 CHADMN Cc1cc(Cl)nc(CNC/C=C\c2ccccc2)c1 ZINC000800284181 1129864123 /nfs/dbraw/zinc/86/41/23/1129864123.db2.gz ZNXYUWHYJSCCFD-YVMONPNESA-N 0 1 272.779 3.846 20 0 CHADMN Cc1cc(Cl)nc(CNC/C=C\c2ccc(F)cc2)c1 ZINC000800283436 1129864367 /nfs/dbraw/zinc/86/43/67/1129864367.db2.gz PUPPFGQVNPARPK-IHWYPQMZSA-N 0 1 290.769 3.986 20 0 CHADMN CC(Cl)=CC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000900106737 1129865057 /nfs/dbraw/zinc/86/50/57/1129865057.db2.gz UBEWWSGYAUZHOI-GDAGCXPBSA-N 0 1 291.782 3.519 20 0 CHADMN CCc1nn(C)c(Cl)c1CN(CC)C[C@@H](C)CC ZINC000769537181 1129916400 /nfs/dbraw/zinc/91/64/00/1129916400.db2.gz IKQOTKOUSGHUMK-NSHDSACASA-N 0 1 271.836 3.504 20 0 CHADMN Cc1cc(C)c(NC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)c(C)c1 ZINC000900304706 1129876672 /nfs/dbraw/zinc/87/66/72/1129876672.db2.gz DSMNXRBEMGCAMY-BDJLRTHQSA-N 0 1 297.402 3.640 20 0 CHADMN Cc1ccccc1[C@]1(F)CCN(C[C@H]2CCC=CO2)C1 ZINC000800536960 1129882372 /nfs/dbraw/zinc/88/23/72/1129882372.db2.gz VOANNJGIUNLHPK-WBVHZDCISA-N 0 1 275.367 3.558 20 0 CHADMN CCc1ncc(CN(C)CCc2ccccc2F)s1 ZINC000769027931 1129886338 /nfs/dbraw/zinc/88/63/38/1129886338.db2.gz BRVXUCOGMZHJMR-UHFFFAOYSA-N 0 1 278.396 3.519 20 0 CHADMN CC(C)SCCSc1nc(Cc2ccccc2)n[nH]1 ZINC000800837646 1129893258 /nfs/dbraw/zinc/89/32/58/1129893258.db2.gz RJAMOQJGOPTBGH-UHFFFAOYSA-N 0 1 293.461 3.629 20 0 CHADMN CC(C)SCCSc1n[nH]c(Cc2ccccc2)n1 ZINC000800837646 1129893259 /nfs/dbraw/zinc/89/32/59/1129893259.db2.gz RJAMOQJGOPTBGH-UHFFFAOYSA-N 0 1 293.461 3.629 20 0 CHADMN S=c1[nH]ccn1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000800866889 1129894178 /nfs/dbraw/zinc/89/41/78/1129894178.db2.gz VJMSQVAQAJHHSJ-MUJYYYPQSA-N 0 1 299.443 3.540 20 0 CHADMN S=c1[nH]ccn1CN1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000800866889 1129894180 /nfs/dbraw/zinc/89/41/80/1129894180.db2.gz VJMSQVAQAJHHSJ-MUJYYYPQSA-N 0 1 299.443 3.540 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1occc1Br ZINC000769224778 1129895805 /nfs/dbraw/zinc/89/58/05/1129895805.db2.gz YIXAHRKLVPPPAB-VHSXEESVSA-N 0 1 272.186 3.663 20 0 CHADMN Cc1cc(CN2CCC[C@@H](C)[C@H]2C)cnc1Cl ZINC000769221610 1129895869 /nfs/dbraw/zinc/89/58/69/1129895869.db2.gz BASDXYRBJQAJEC-ZYHUDNBSSA-N 0 1 252.789 3.664 20 0 CHADMN C[C@H](c1ccncc1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769227921 1129896782 /nfs/dbraw/zinc/89/67/82/1129896782.db2.gz KCSHGJYNRDBAHF-TZMCWYRMSA-N 0 1 288.341 3.910 20 0 CHADMN CC1(C)CCN(Cc2occc2Br)CC1 ZINC000769308599 1129901105 /nfs/dbraw/zinc/90/11/05/1129901105.db2.gz QUCBPYPRVUIWAF-UHFFFAOYSA-N 0 1 272.186 3.664 20 0 CHADMN CC1(C)CCN(Cc2c(Cl)nc3ccccn32)CC1 ZINC000769307972 1129901269 /nfs/dbraw/zinc/90/12/69/1129901269.db2.gz MKQVFXOWDMELEG-UHFFFAOYSA-N 0 1 277.799 3.610 20 0 CHADMN Cc1cc(CN2CC[C@H](c3ccco3)C2)cnc1Cl ZINC000769387709 1129905702 /nfs/dbraw/zinc/90/57/02/1129905702.db2.gz ATHLZKMIMYXLPL-ZDUSSCGKSA-N 0 1 276.767 3.626 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2ccccc2SC(C)C)[nH]1 ZINC000901062033 1129908569 /nfs/dbraw/zinc/90/85/69/1129908569.db2.gz PJUACZGOPXBONG-UHFFFAOYSA-N 0 1 289.404 3.779 20 0 CHADMN CC(C)C[C@@H]1CCCN(Cc2coc(C3CC3)n2)C1 ZINC000769505868 1129914680 /nfs/dbraw/zinc/91/46/80/1129914680.db2.gz OWCJVIATCZKFGI-ZDUSSCGKSA-N 0 1 262.397 3.810 20 0 CHADMN O=C(c1c(O)cccc1Cl)N1CCCc2ccccc21 ZINC000769569446 1129918034 /nfs/dbraw/zinc/91/80/34/1129918034.db2.gz GHNDYFUXROTIEE-UHFFFAOYSA-N 0 1 287.746 3.639 20 0 CHADMN COc1ccc(NC(=O)c2c(O)cccc2Cl)c(C)c1 ZINC000769752084 1129922204 /nfs/dbraw/zinc/92/22/04/1129922204.db2.gz HTOYHHGOBBBPEU-UHFFFAOYSA-N 0 1 291.734 3.615 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2ccccc2CF)n1 ZINC000901446707 1129926494 /nfs/dbraw/zinc/92/64/94/1129926494.db2.gz JOWJKOLTOYVZHU-UHFFFAOYSA-N 0 1 279.384 3.864 20 0 CHADMN CC(C)(C)c1nc(SCc2ccccc2CF)n[nH]1 ZINC000901446707 1129926496 /nfs/dbraw/zinc/92/64/96/1129926496.db2.gz JOWJKOLTOYVZHU-UHFFFAOYSA-N 0 1 279.384 3.864 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1ccc(F)c(C)c1 ZINC000769868104 1129926717 /nfs/dbraw/zinc/92/67/17/1129926717.db2.gz OANYDYLKOGYKPV-LLVKDONJSA-N 0 1 276.355 3.844 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1ccc(C)cc1 ZINC000769862371 1129927074 /nfs/dbraw/zinc/92/70/74/1129927074.db2.gz YCTZZXNPSHTUOW-GFCCVEGCSA-N 0 1 258.365 3.705 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@H]2N1CCO[C@@H](C(F)F)C1 ZINC000801564230 1129927332 /nfs/dbraw/zinc/92/73/32/1129927332.db2.gz LVVJRZJCYRJWHT-HUUCEWRRSA-N 0 1 295.373 3.647 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cccc(Cl)n2)c1 ZINC000769847486 1129928651 /nfs/dbraw/zinc/92/86/51/1129928651.db2.gz UQJJQZQJHQBOMR-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1ccccc1COC ZINC000769871351 1129930202 /nfs/dbraw/zinc/93/02/02/1129930202.db2.gz YMZZZRNOKPQPOV-LBPRGKRZSA-N 0 1 288.391 3.543 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCCO[C@H]1CCCC[C@@H]1C ZINC000769876669 1129930653 /nfs/dbraw/zinc/93/06/53/1129930653.db2.gz UBWYIVYTPLOUIT-XEZPLFJOSA-N 0 1 294.439 3.791 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@H](CO)c2ccsc2)c1 ZINC000769987277 1129934749 /nfs/dbraw/zinc/93/47/49/1129934749.db2.gz KWNPGRYYTBCRCY-MLGOLLRUSA-N 0 1 291.416 3.531 20 0 CHADMN CC(=O)CCN1CCCC[C@H]1c1cccc(Cl)c1 ZINC000770001794 1129935259 /nfs/dbraw/zinc/93/52/59/1129935259.db2.gz RZNZRGGXDXVSFW-HNNXBMFYSA-N 0 1 265.784 3.846 20 0 CHADMN CC1=C[C@@H](C)C[C@H](C[N@@H+](CC(=O)[O-])Cc2ccccc2)C1 ZINC000901568992 1129937278 /nfs/dbraw/zinc/93/72/78/1129937278.db2.gz HCIZEPMYIXUEBJ-PBHICJAKSA-N 0 1 287.403 3.566 20 0 CHADMN CC(C)C[N@@H+](CC(=O)[O-])[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000901591265 1129938245 /nfs/dbraw/zinc/93/82/45/1129938245.db2.gz ZFXNXBZQHPRVLV-AEFFLSMTSA-N 0 1 289.419 3.539 20 0 CHADMN CCSc1cccc(C[N@@H+](CCC(=O)[O-])CC(C)C)c1 ZINC000901596755 1129938512 /nfs/dbraw/zinc/93/85/12/1129938512.db2.gz XZQQFIGVOWEYCA-UHFFFAOYSA-N 0 1 295.448 3.731 20 0 CHADMN O=C(Nc1scnc1C1CC1)c1c(O)cccc1Cl ZINC000770149023 1129940574 /nfs/dbraw/zinc/94/05/74/1129940574.db2.gz AKZVSIPCSJCEGA-UHFFFAOYSA-N 0 1 294.763 3.632 20 0 CHADMN CC[C@@H]1CCC[C@@H](C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000901645844 1129940812 /nfs/dbraw/zinc/94/08/12/1129940812.db2.gz DSGPOBWRXUHWKH-ZIAGYGMSSA-N 0 1 287.403 3.917 20 0 CHADMN C[C@H](C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000901645869 1129940897 /nfs/dbraw/zinc/94/08/97/1129940897.db2.gz FVVAIUYKEIDXAG-GFCCVEGCSA-N 0 1 299.345 3.643 20 0 CHADMN CCCC1CCC(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000901697861 1129945749 /nfs/dbraw/zinc/94/57/49/1129945749.db2.gz UPMKPWTVGRHUFR-VMBOVVBDSA-N 0 1 281.440 3.780 20 0 CHADMN C[C@H]1CCN[C@@H](c2nc(-c3cccc(Cl)c3F)no2)C1 ZINC000823000448 1131409627 /nfs/dbraw/zinc/40/96/27/1131409627.db2.gz ATWZOIROIOZIEI-GZMMTYOYSA-N 0 1 295.745 3.590 20 0 CHADMN CC1=C[C@@H](C)C[C@@H](C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)C1 ZINC000901746651 1129949404 /nfs/dbraw/zinc/94/94/04/1129949404.db2.gz VEDALBYLSAJCSO-UKRRQHHQSA-N 0 1 299.414 3.735 20 0 CHADMN c1nc2ccc(CNc3ccc(N4CCCC4)cc3)cc2[nH]1 ZINC000770480106 1129949582 /nfs/dbraw/zinc/94/95/82/1129949582.db2.gz CNESAJVDDNZLNE-UHFFFAOYSA-N 0 1 292.386 3.775 20 0 CHADMN CCC[C@@H](CC1CCCCC1)C(=O)OCc1n[nH]c(C)n1 ZINC000770639794 1129952682 /nfs/dbraw/zinc/95/26/82/1129952682.db2.gz KMTUYSMKVPEOCR-AWEZNQCLSA-N 0 1 293.411 3.543 20 0 CHADMN Cc1nc2sccn2c1CN(C)CCSC(C)(C)C ZINC000801935325 1129961065 /nfs/dbraw/zinc/96/10/65/1129961065.db2.gz YMYLLVBNDCYXDH-UHFFFAOYSA-N 0 1 297.493 3.668 20 0 CHADMN CC(C)(C)SCCN1CCc2cc(F)ccc2C1 ZINC000801940934 1129961866 /nfs/dbraw/zinc/96/18/66/1129961866.db2.gz VAOMVEGWKAYHQH-UHFFFAOYSA-N 0 1 267.413 3.716 20 0 CHADMN CCc1nc([C@H](C)NCCSC(C)(C)C)cs1 ZINC000801941001 1129962356 /nfs/dbraw/zinc/96/23/56/1129962356.db2.gz HCKYFOISHPJMQU-JTQLQIEISA-N 0 1 272.483 3.888 20 0 CHADMN Cc1ccnc(NCC[C@@]2(C)CC2(Cl)Cl)c1 ZINC000829058399 1131410760 /nfs/dbraw/zinc/41/07/60/1131410760.db2.gz HWUMQGFTXSDJAX-NSHDSACASA-N 0 1 259.180 3.776 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC000901909879 1129965148 /nfs/dbraw/zinc/96/51/48/1129965148.db2.gz DRRVFQUVARIALR-WMLDXEAASA-N 0 1 299.430 3.872 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@@H+](CCC(=O)[O-])C1CC1 ZINC000901971322 1129968445 /nfs/dbraw/zinc/96/84/45/1129968445.db2.gz HWHSYQPMMGMERA-ZDUSSCGKSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1cc(C)c(/C=C/C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1C ZINC000901967859 1129968617 /nfs/dbraw/zinc/96/86/17/1129968617.db2.gz KYHWQQQCNSXFNG-DKRLNXSXSA-N 0 1 287.403 3.564 20 0 CHADMN Cc1cc(C)c(/C=C\C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1C ZINC000901967860 1129968704 /nfs/dbraw/zinc/96/87/04/1129968704.db2.gz KYHWQQQCNSXFNG-JTGQJZMRSA-N 0 1 287.403 3.564 20 0 CHADMN Cc1cc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])ccc1Cl ZINC000901995611 1129970414 /nfs/dbraw/zinc/97/04/14/1129970414.db2.gz AQRPLJVRRVTCSJ-AWEZNQCLSA-N 0 1 295.810 3.868 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000902010310 1129971106 /nfs/dbraw/zinc/97/11/06/1129971106.db2.gz CYDXMRDPVKEUAB-CAOSSQGBSA-N 0 1 281.440 3.778 20 0 CHADMN CCc1ccc(C)nc1NCc1cc(OC)ccc1F ZINC001461625708 1129971200 /nfs/dbraw/zinc/97/12/00/1129971200.db2.gz AQNJCNZLBCMQGW-UHFFFAOYSA-N 0 1 274.339 3.712 20 0 CHADMN CCCC1CCC(C[N@H+]2CCC[C@H]2CC(=O)[O-])CC1 ZINC000902007208 1129971330 /nfs/dbraw/zinc/97/13/30/1129971330.db2.gz KGGMQWQEGZBCHI-NRXISQOPSA-N 0 1 267.413 3.532 20 0 CHADMN CCNc1ccccc1CNCc1ccccc1F ZINC000902035649 1129973106 /nfs/dbraw/zinc/97/31/06/1129973106.db2.gz UBUAEIXOVMJNRE-UHFFFAOYSA-N 0 1 258.340 3.547 20 0 CHADMN CNc1ccccc1CN[C@H](C)c1ccccc1OC ZINC000902037169 1129973284 /nfs/dbraw/zinc/97/32/84/1129973284.db2.gz WXMJWYHPYZAYHO-CYBMUJFWSA-N 0 1 270.376 3.588 20 0 CHADMN Cc1cc(N2CCCC[C@H]2c2cccc(C)c2C)nc(N)n1 ZINC000771140658 1129973556 /nfs/dbraw/zinc/97/35/56/1129973556.db2.gz BJNLLGNRCUGCCY-INIZCTEOSA-N 0 1 296.418 3.716 20 0 CHADMN CCC[N@@H+](CCC(C)(C)C(=O)[O-])Cc1ccc(C)cc1 ZINC000902072685 1129977731 /nfs/dbraw/zinc/97/77/31/1129977731.db2.gz SVLWDSOBLAYALT-UHFFFAOYSA-N 0 1 277.408 3.708 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H](C)c1ccc(Cl)nc1 ZINC000771390188 1129979543 /nfs/dbraw/zinc/97/95/43/1129979543.db2.gz WPRADSNQAACKCM-VXGBXAGGSA-N 0 1 275.783 3.850 20 0 CHADMN Cc1ccc(-c2[nH]ccc3ncnc2-3)cc1C(F)(F)F ZINC001242670165 1129979566 /nfs/dbraw/zinc/97/95/66/1129979566.db2.gz ILGJQEGCUKJHRQ-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN Cc1ccc(-c2nccc3[nH]cnc32)cc1C(F)(F)F ZINC001242670165 1129979568 /nfs/dbraw/zinc/97/95/68/1129979568.db2.gz ILGJQEGCUKJHRQ-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN CSCc1ccc(CNc2nccn2C2CC2)cc1 ZINC000902114879 1129981298 /nfs/dbraw/zinc/98/12/98/1129981298.db2.gz SYMUXXXPGFPOJX-UHFFFAOYSA-N 0 1 273.405 3.693 20 0 CHADMN CC(C)[C@@H](C)[N@@H+](Cc1ccnc(Cl)c1F)C1CC1 ZINC000823375462 1131423355 /nfs/dbraw/zinc/42/33/55/1131423355.db2.gz SVRYJVWSIXMSGB-SNVBAGLBSA-N 0 1 270.779 3.883 20 0 CHADMN O=C(C=C1CCCC1)Nc1cc(F)cc(Cl)c1O ZINC000771503311 1129983084 /nfs/dbraw/zinc/98/30/84/1129983084.db2.gz GWNIAIQTEQUAGY-UHFFFAOYSA-N 0 1 269.703 3.624 20 0 CHADMN CC(C)[C@@H](C)N(Cc1ccnc(Cl)c1F)C1CC1 ZINC000823375462 1131423360 /nfs/dbraw/zinc/42/33/60/1131423360.db2.gz SVRYJVWSIXMSGB-SNVBAGLBSA-N 0 1 270.779 3.883 20 0 CHADMN CCn1cnc(CN[C@@H]2CCC(C)(C)c3ccccc32)c1 ZINC000902199630 1129987951 /nfs/dbraw/zinc/98/79/51/1129987951.db2.gz VLLOWWBDXAMFPS-QGZVFWFLSA-N 0 1 283.419 3.805 20 0 CHADMN Cc1cccc(OCCCNc2cccc(C)n2)c1 ZINC000771756042 1129988867 /nfs/dbraw/zinc/98/88/67/1129988867.db2.gz FFMZUYBQUCDOLG-UHFFFAOYSA-N 0 1 256.349 3.579 20 0 CHADMN CC(C)C[C@@H](NCc1csc(N)n1)c1cccs1 ZINC000902487788 1130015581 /nfs/dbraw/zinc/01/55/81/1130015581.db2.gz DVBJWMGXFABWAO-LLVKDONJSA-N 0 1 281.450 3.664 20 0 CHADMN CCc1oc(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC000902511264 1130017792 /nfs/dbraw/zinc/01/77/92/1130017792.db2.gz ISJIZAKKWHFDNE-FZMZJTMJSA-N 0 1 279.380 3.551 20 0 CHADMN CCc1oc(C[N@@H+](C)[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000902508794 1130018243 /nfs/dbraw/zinc/01/82/43/1130018243.db2.gz UJBDDUULWIPRAO-GFCCVEGCSA-N 0 1 287.359 3.733 20 0 CHADMN CCC1CCC([N@@H+](CCC(C)(C)C(=O)[O-])C2CC2)CC1 ZINC000902511840 1130018761 /nfs/dbraw/zinc/01/87/61/1130018761.db2.gz DAEKEYIRWBTCLR-UHFFFAOYSA-N 0 1 281.440 3.921 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902519358 1130020370 /nfs/dbraw/zinc/02/03/70/1130020370.db2.gz WEWNZGRVHQXQQZ-MTUCDCQFSA-N 0 1 289.375 3.530 20 0 CHADMN CCc1oc(C[N@H+]2CCC[C@H]2C(C)(C)C)cc1C(=O)[O-] ZINC000902530750 1130021032 /nfs/dbraw/zinc/02/10/32/1130021032.db2.gz BPXUJHZFCULMHW-AWEZNQCLSA-N 0 1 279.380 3.551 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@@]1(C)Cc1ccccc1)C(=O)[O-] ZINC000902530194 1130021883 /nfs/dbraw/zinc/02/18/83/1130021883.db2.gz GWVHCWXGCWTIIN-SFHVURJKSA-N 0 1 289.419 3.585 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000902543243 1130022918 /nfs/dbraw/zinc/02/29/18/1130022918.db2.gz QZOMXCICQFRVOU-IGCXYCKISA-N 0 1 299.370 3.744 20 0 CHADMN C[C@@H](CNc1ccccc1N1CCN(C)CC1)C(C)(C)C ZINC000802640398 1130023603 /nfs/dbraw/zinc/02/36/03/1130023603.db2.gz LJXFWGZWCXPCGM-HNNXBMFYSA-N 0 1 289.467 3.533 20 0 CHADMN CC(=O)c1cccc(-c2ccc3nc[nH]c3c2C)c1 ZINC001239636186 1130027610 /nfs/dbraw/zinc/02/76/10/1130027610.db2.gz VOLVTAPLTISVSY-UHFFFAOYSA-N 0 1 250.301 3.741 20 0 CHADMN CC(=O)c1cccc(-c2ccc3c(c2)CN(C)CC3)c1 ZINC001239638592 1130028584 /nfs/dbraw/zinc/02/85/84/1130028584.db2.gz XJKNXBJYNLQVLQ-UHFFFAOYSA-N 0 1 265.356 3.544 20 0 CHADMN COc1cc(OC)c(-c2cc3nc[nH]c3c(C)c2)c(OC)c1 ZINC001239648148 1130030680 /nfs/dbraw/zinc/03/06/80/1130030680.db2.gz QFTMSEWKJYSSBI-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN COc1ccc(OC)c(-c2nc(C)cc3[nH]ccc32)c1 ZINC001239662156 1130039490 /nfs/dbraw/zinc/03/94/90/1130039490.db2.gz KOPACVQFVYSEKQ-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN COc1ccc(OC)c(-c2ccc3nc[nH]c3c2C)c1 ZINC001239664669 1130040852 /nfs/dbraw/zinc/04/08/52/1130040852.db2.gz DCZBHIGYGXHBOB-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN O=C(Nc1ccc2ccccc2c1)c1ccc2cncn2c1 ZINC000785669452 1130050300 /nfs/dbraw/zinc/05/03/00/1130050300.db2.gz VLXPJMIKHBIDRZ-UHFFFAOYSA-N 0 1 287.322 3.740 20 0 CHADMN CC[C@H](C(=O)OCc1sccc1Cl)N(CC)CC ZINC000785914692 1130062366 /nfs/dbraw/zinc/06/23/66/1130062366.db2.gz KBCYAZTWEMPOCH-LLVKDONJSA-N 0 1 289.828 3.565 20 0 CHADMN COC(=O)c1cc2ccc(-c3cccc(C)c3C)[nH]c-2n1 ZINC001239714280 1130067923 /nfs/dbraw/zinc/06/79/23/1130067923.db2.gz DWBANTDAPQUQAV-UHFFFAOYSA-N 0 1 280.327 3.633 20 0 CHADMN COc1ccc(-c2cccc3nc(C(F)(F)F)[nH]c32)cn1 ZINC001239727597 1130076581 /nfs/dbraw/zinc/07/65/81/1130076581.db2.gz KOURHNREYSSBPG-UHFFFAOYSA-N 0 1 293.248 3.652 20 0 CHADMN C[C@@H](N[C@H]1CC(C)(C)CCc2ccccc21)c1cn(C)nn1 ZINC000902980747 1130094517 /nfs/dbraw/zinc/09/45/17/1130094517.db2.gz BXPSTOQTFUBRDK-CJNGLKHVSA-N 0 1 298.434 3.570 20 0 CHADMN CC/C=C/CN[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903007165 1130099516 /nfs/dbraw/zinc/09/95/16/1130099516.db2.gz UYVNDNUQFCPXFX-ORAHPGNNSA-N 0 1 258.287 3.717 20 0 CHADMN CCOCc1ccccc1CN[C@H](c1ccccn1)C1CC1 ZINC000903061339 1130106648 /nfs/dbraw/zinc/10/66/48/1130106648.db2.gz DPJIZVDMPMFHCK-IBGZPJMESA-N 0 1 296.414 3.859 20 0 CHADMN C[C@H](N[C@@H](C)c1cnn(CC2CCC2)c1)c1ccoc1 ZINC000903124306 1130116772 /nfs/dbraw/zinc/11/67/72/1130116772.db2.gz FFTXOSDPWLJVEG-STQMWFEESA-N 0 1 273.380 3.688 20 0 CHADMN CN(C)Cc1ccc(N[C@H](c2ccccn2)C2CC2)cc1F ZINC000903147884 1130119710 /nfs/dbraw/zinc/11/97/10/1130119710.db2.gz TXCQHOPEVAUWRB-SFHVURJKSA-N 0 1 299.393 3.846 20 0 CHADMN Fc1ccc([C@H](NCC[C@@H]2C[C@H]2C2CC2)c2ncc[nH]2)cc1 ZINC000903161272 1130121054 /nfs/dbraw/zinc/12/10/54/1130121054.db2.gz GJFJKRAQHPGTSY-PVAVHDDUSA-N 0 1 299.393 3.664 20 0 CHADMN c1c[nH]c([C@@H](NCC[C@@H]2C[C@H]2C2CC2)c2ccccc2)n1 ZINC000903161835 1130121554 /nfs/dbraw/zinc/12/15/54/1130121554.db2.gz PKMYKXKLNLIOOW-IKGGRYGDSA-N 0 1 281.403 3.525 20 0 CHADMN Fc1c(CN2CCCC2)cccc1-c1nccs1 ZINC001242897597 1130121608 /nfs/dbraw/zinc/12/16/08/1130121608.db2.gz CRTDPPDMGIZRKA-UHFFFAOYSA-N 0 1 262.353 3.545 20 0 CHADMN C[C@@H](NCCOC1CC1)c1nc(-c2ccccc2)cs1 ZINC000903170476 1130123784 /nfs/dbraw/zinc/12/37/84/1130123784.db2.gz ILBHFKQJXPYDMD-GFCCVEGCSA-N 0 1 288.416 3.640 20 0 CHADMN C[C@@H](NCc1nccc2c1CCCC2)c1ccsc1 ZINC000903184867 1130125905 /nfs/dbraw/zinc/12/59/05/1130125905.db2.gz OWXBWGGZLPUDGS-GFCCVEGCSA-N 0 1 272.417 3.873 20 0 CHADMN CCOC(=O)c1nc2ccc(-c3ccc(C)c(F)c3)cc2[nH]1 ZINC001239824753 1130125965 /nfs/dbraw/zinc/12/59/65/1130125965.db2.gz INIZJRIBNSAROP-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN C[C@H](NCc1nccc2c1CCCC2)c1cccc(O)c1 ZINC000903183587 1130125953 /nfs/dbraw/zinc/12/59/53/1130125953.db2.gz DDPUKBNZSHHCKL-ZDUSSCGKSA-N 0 1 282.387 3.517 20 0 CHADMN COc1ccc(-c2cc3nc[nH]c3cc2OC)c(C)c1 ZINC001239827582 1130128436 /nfs/dbraw/zinc/12/84/36/1130128436.db2.gz WTWRVWVHDHHTPE-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN C[C@H]1CCc2ccccc2[C@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000903201537 1130128724 /nfs/dbraw/zinc/12/87/24/1130128724.db2.gz IPKFYSSLSZCFAR-LIRRHRJNSA-N 0 1 295.430 3.561 20 0 CHADMN COc1ccc(-c2cc(F)c3c(c2)CN(C)CC3)c(C)c1 ZINC001239829913 1130129495 /nfs/dbraw/zinc/12/94/95/1130129495.db2.gz SUXURZNHOSHHCC-UHFFFAOYSA-N 0 1 285.362 3.798 20 0 CHADMN CC(C)CCC[C@@H](C)NC1(c2ccccc2)COC1 ZINC001170067687 1130130610 /nfs/dbraw/zinc/13/06/10/1130130610.db2.gz AFXSXESVBFYLFU-OAHLLOKOSA-N 0 1 261.409 3.717 20 0 CHADMN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1N[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000903253620 1130137601 /nfs/dbraw/zinc/13/76/01/1130137601.db2.gz KYSUFQHGJFUSMH-NOYSFJLSSA-N 0 1 296.389 3.944 20 0 CHADMN CC(C)c1nc([C@H](C)NCC[C@@H]2CCCC[C@@H]2O)cs1 ZINC000903262346 1130139116 /nfs/dbraw/zinc/13/91/16/1130139116.db2.gz CVPKRJUOQNPRAG-YDHLFZDLSA-N 0 1 296.480 3.858 20 0 CHADMN CN(CCOC(C)(C)C)Cc1cc(Cl)cs1 ZINC000787193544 1130139473 /nfs/dbraw/zinc/13/94/73/1130139473.db2.gz XCISULWEGJRNMU-UHFFFAOYSA-N 0 1 261.818 3.648 20 0 CHADMN CC(C)[C@@H]1c2ccccc2CCN1Cc1ccc(F)cn1 ZINC000787264511 1130143680 /nfs/dbraw/zinc/14/36/80/1130143680.db2.gz UEBHYAIHCFBKTR-GOSISDBHSA-N 0 1 284.378 3.976 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2C[C@H](c3ccc(F)cc3F)C2)no1 ZINC000903298654 1130148879 /nfs/dbraw/zinc/14/88/79/1130148879.db2.gz XBZUITCCJQIWSG-NQBHXWOUSA-N 0 1 292.329 3.858 20 0 CHADMN C[C@H](N[C@@H](C)c1cncs1)c1cnn(CC2CCC2)c1 ZINC000903304684 1130149761 /nfs/dbraw/zinc/14/97/61/1130149761.db2.gz BXQXLUVBNSPLIM-RYUDHWBXSA-N 0 1 290.436 3.552 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)N[C@H](C)c1cncs1 ZINC000903309394 1130150595 /nfs/dbraw/zinc/15/05/95/1130150595.db2.gz FINVVDPHMAAQCD-VXGBXAGGSA-N 0 1 276.405 3.872 20 0 CHADMN CCc1nc2c(s1)[C@H](N[C@H](C)c1cncs1)CCC2 ZINC000903309043 1130150680 /nfs/dbraw/zinc/15/06/80/1130150680.db2.gz BUVGUOMIYRDINW-NXEZZACHSA-N 0 1 293.461 3.890 20 0 CHADMN CC(C)(C)c1coc(CN[C@H]2CCC[C@@H]2CCCF)n1 ZINC000903313231 1130151484 /nfs/dbraw/zinc/15/14/84/1130151484.db2.gz LKDZZAYVWBNECB-OLZOCXBDSA-N 0 1 282.403 3.980 20 0 CHADMN Fc1ccc(C2CC(N[C@@H](c3ncccn3)C3CC3)C2)cc1 ZINC000903323153 1130153894 /nfs/dbraw/zinc/15/38/94/1130153894.db2.gz AVOQEGRVVRWKJH-BDVYOWHSSA-N 0 1 297.377 3.603 20 0 CHADMN Fc1ccccc1C1CC(N[C@@H](c2ncccn2)C2CC2)C1 ZINC000903326684 1130155231 /nfs/dbraw/zinc/15/52/31/1130155231.db2.gz MPSVUEDLKQQYPN-MQBCKMQZSA-N 0 1 297.377 3.603 20 0 CHADMN C[C@H](N[C@@H](c1ccccn1)C1CC1)c1ccccc1N(C)C ZINC000903336515 1130161185 /nfs/dbraw/zinc/16/11/85/1130161185.db2.gz ZROFBEWKYARHDW-IFXJQAMLSA-N 0 1 295.430 3.950 20 0 CHADMN Clc1ccc2c(n1)[C@@H](NCc1ccsc1)CC2 ZINC000787761928 1130161739 /nfs/dbraw/zinc/16/17/39/1130161739.db2.gz SSRCFGDVIDYJBY-NSHDSACASA-N 0 1 264.781 3.574 20 0 CHADMN C[C@H](COCC1CCCCC1)N[C@H](C)c1nccs1 ZINC000903353112 1130165410 /nfs/dbraw/zinc/16/54/10/1130165410.db2.gz BTTLRTRPGGJBGY-CHWSQXEVSA-N 0 1 282.453 3.779 20 0 CHADMN COCc1ccccc1-c1cccc(CN(C)C)c1F ZINC001239954705 1130170129 /nfs/dbraw/zinc/17/01/29/1130170129.db2.gz HWPKQHVUPOFFGL-UHFFFAOYSA-N 0 1 273.351 3.701 20 0 CHADMN CO[C@@H]1CC[C@H](N[C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000788061919 1130171385 /nfs/dbraw/zinc/17/13/85/1130171385.db2.gz HJWBDKMZNQGPSR-VHDGCEQUSA-N 0 1 286.375 3.560 20 0 CHADMN CC(C)Cc1ccccc1C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000903408712 1130171894 /nfs/dbraw/zinc/17/18/94/1130171894.db2.gz KJGUICJJQFMLQX-UHFFFAOYSA-N 0 1 291.435 3.818 20 0 CHADMN Cc1ccc(F)c(-c2nc(C(C)(C)C)nc3nc[nH]c32)c1 ZINC001239962159 1130173345 /nfs/dbraw/zinc/17/33/45/1130173345.db2.gz FQFUVGZOEANNHC-UHFFFAOYSA-N 0 1 284.338 3.717 20 0 CHADMN C[C@H](N[C@H](c1ccncc1)C1CC1)c1ccnn1C1CCC1 ZINC000903428642 1130175385 /nfs/dbraw/zinc/17/53/85/1130175385.db2.gz JKJDHCRSDLNDOH-UGSOOPFHSA-N 0 1 296.418 3.805 20 0 CHADMN C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1cccnc1Cl ZINC000903428357 1130175994 /nfs/dbraw/zinc/17/59/94/1130175994.db2.gz NTVOTHAUSWCZKW-IAQYHMDHSA-N 0 1 287.794 3.932 20 0 CHADMN CCC[N@@H+](CCc1cccs1)[C@H](C(=O)[O-])[C@@H](C)CC ZINC000903593985 1130183327 /nfs/dbraw/zinc/18/33/27/1130183327.db2.gz ASIJGPSODFELHL-JSGCOSHPSA-N 0 1 283.437 3.502 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](CC)Cc1ccccc1Cl ZINC000903596980 1130183835 /nfs/dbraw/zinc/18/38/35/1130183835.db2.gz YVOSJIAJGQWZRT-RISCZKNCSA-N 0 1 283.799 3.661 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC000903608333 1130184665 /nfs/dbraw/zinc/18/46/65/1130184665.db2.gz VHUWINQIBMQOMH-BMIGLBTASA-N 0 1 295.810 3.506 20 0 CHADMN CC[C@@H](CC(F)F)C[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000903623250 1130184839 /nfs/dbraw/zinc/18/48/39/1130184839.db2.gz VYVJVRIQGZDSEC-LBPRGKRZSA-N 0 1 293.398 3.737 20 0 CHADMN C=C/C=C\CC[N@@H+](CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC000903607453 1130184885 /nfs/dbraw/zinc/18/48/85/1130184885.db2.gz BLHHTRJEAULTMI-OGZRUICASA-N 0 1 273.376 3.657 20 0 CHADMN COc1cc(F)ccc1-c1ccc2nc[nH]c2c1C ZINC001239996531 1130185163 /nfs/dbraw/zinc/18/51/63/1130185163.db2.gz LMBIJJWYKGVWSI-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CC[C@@H](OC(=O)[C@@H](C(C)C)N(C)C)c1ccc(F)cc1F ZINC000803700738 1130187665 /nfs/dbraw/zinc/18/76/65/1130187665.db2.gz HJPMKUZCHHZLQI-HUUCEWRRSA-N 0 1 299.361 3.545 20 0 CHADMN CN(CCCCc1ccccc1)Cc1cnc(Cl)cn1 ZINC000788477743 1130188906 /nfs/dbraw/zinc/18/89/06/1130188906.db2.gz FQAPQZNTZNKLIH-UHFFFAOYSA-N 0 1 289.810 3.585 20 0 CHADMN Cc1cc(-c2cnn(Cc3ccccc3)c2)cc2nc[nH]c21 ZINC001240004398 1130189726 /nfs/dbraw/zinc/18/97/26/1130189726.db2.gz URALJXNRDFROPK-UHFFFAOYSA-N 0 1 288.354 3.783 20 0 CHADMN CN(Cc1ccc(Cl)nc1)C[C@@H]1CCC2(CCCC2)O1 ZINC000788481952 1130189936 /nfs/dbraw/zinc/18/99/36/1130189936.db2.gz KKBFMKFUAPCJOR-AWEZNQCLSA-N 0 1 294.826 3.659 20 0 CHADMN CC(C)C[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1ccccc1 ZINC000903696996 1130189987 /nfs/dbraw/zinc/18/99/87/1130189987.db2.gz OZSXKJAIOBBRQB-UHFFFAOYSA-N 0 1 289.419 3.790 20 0 CHADMN CC(C)[C@H](c1ccccc1)[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC000903695653 1130190352 /nfs/dbraw/zinc/19/03/52/1130190352.db2.gz FNTMEFVQRIIKBK-MRXNPFEDSA-N 0 1 289.419 3.961 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903696461 1130190378 /nfs/dbraw/zinc/19/03/78/1130190378.db2.gz XHQSFSYMFRBJFP-ZBFHGGJFSA-N 0 1 287.403 3.509 20 0 CHADMN CC(C)CC[C@H]1CCCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903695822 1130190649 /nfs/dbraw/zinc/19/06/49/1130190649.db2.gz JZXSNDZCNNGKJA-OAHLLOKOSA-N 0 1 281.440 3.922 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3ccc(Cl)nc32)ccc1F ZINC000788504312 1130191233 /nfs/dbraw/zinc/19/12/33/1130191233.db2.gz HDQMZRUOSJSPIQ-CQSZACIVSA-N 0 1 290.769 3.960 20 0 CHADMN CC[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1ccc(Cl)cc1 ZINC000903697751 1130191302 /nfs/dbraw/zinc/19/13/02/1130191302.db2.gz YZVGNXPEUMJVFF-UHFFFAOYSA-N 0 1 295.810 3.807 20 0 CHADMN Cc1cc(CN[C@H]2CCc3ccc(Cl)nc32)ccc1F ZINC000788504311 1130191437 /nfs/dbraw/zinc/19/14/37/1130191437.db2.gz HDQMZRUOSJSPIQ-AWEZNQCLSA-N 0 1 290.769 3.960 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)CCC1 ZINC000903708073 1130192270 /nfs/dbraw/zinc/19/22/70/1130192270.db2.gz XFRUEVUBPMHKIY-DOOKAGJSSA-N 0 1 299.414 3.809 20 0 CHADMN CN1Cc2ccc(NCc3cc4ccccc4[nH]3)cc2C1 ZINC000788523261 1130192874 /nfs/dbraw/zinc/19/28/74/1130192874.db2.gz IVISKTAMLXEOCT-UHFFFAOYSA-N 0 1 277.371 3.725 20 0 CHADMN CSc1ncc2c(n1)CN([C@H](C)CCCC(C)C)CC2 ZINC001170088216 1130201773 /nfs/dbraw/zinc/20/17/73/1130201773.db2.gz PQFIFHRXOHGGAQ-CYBMUJFWSA-N 0 1 293.480 3.771 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)[C@@H]1C ZINC000903889932 1130208225 /nfs/dbraw/zinc/20/82/25/1130208225.db2.gz SWMHNLBCXTUDRB-CHWSQXEVSA-N 0 1 298.386 3.553 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)[C@H]1C ZINC000903889935 1130208383 /nfs/dbraw/zinc/20/83/83/1130208383.db2.gz SWMHNLBCXTUDRB-STQMWFEESA-N 0 1 298.386 3.553 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000903893610 1130208418 /nfs/dbraw/zinc/20/84/18/1130208418.db2.gz HMTMNDWEMRJIOJ-NWANDNLSSA-N 0 1 293.794 3.588 20 0 CHADMN Cc1cccc([C@@H]2CCCC[N@H+]2C[C@@H]2C[C@H]2C(=O)[O-])c1C ZINC000903894094 1130208501 /nfs/dbraw/zinc/20/85/01/1130208501.db2.gz ODAPDGJEIKRTJZ-UAGQMJEPSA-N 0 1 287.403 3.551 20 0 CHADMN CCC[C@H](C)[N@@H+](C)Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903887696 1130208921 /nfs/dbraw/zinc/20/89/21/1130208921.db2.gz AIISKFYVSVDYMI-QMMMGPOBSA-N 0 1 293.285 3.617 20 0 CHADMN CCCCNC(=O)c1cccc(-c2cc3[nH]ccc3cn2)c1 ZINC001240084711 1130209617 /nfs/dbraw/zinc/20/96/17/1130209617.db2.gz LIJWDCOPLMLKKP-UHFFFAOYSA-N 0 1 293.370 3.760 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@H](CCc1ccccc1)C(=O)[O-])C(C)(C)C ZINC000903913705 1130210350 /nfs/dbraw/zinc/21/03/50/1130210350.db2.gz SQKGTZRFRRYRED-GOEBONIOSA-N 0 1 291.435 3.686 20 0 CHADMN C[C@@]1(Cc2cccs2)CCC[N@H+]1CCCCCC(=O)[O-] ZINC000903934160 1130210470 /nfs/dbraw/zinc/21/04/70/1130210470.db2.gz KTVXLELSJVOWFQ-INIZCTEOSA-N 0 1 295.448 3.790 20 0 CHADMN O=C([O-])c1cccc2c1CC[N@@H+](C[C@@H]1CC3CCC1CC3)C2 ZINC000903907575 1130210878 /nfs/dbraw/zinc/21/08/78/1130210878.db2.gz ZISINYKFVQJQCJ-XUJLQICISA-N 0 1 299.414 3.569 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCCCC(F)(F)F)[C@H](C)[C@H]1C(=O)[O-] ZINC000903952914 1130212820 /nfs/dbraw/zinc/21/28/20/1130212820.db2.gz NCXSRLGEAMSANJ-KXNHARMFSA-N 0 1 295.345 3.539 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@@H+]1CC=C(c2cccc(C)c2C)CC1 ZINC000903963371 1130213164 /nfs/dbraw/zinc/21/31/64/1130213164.db2.gz YCXLUQFBIVCCND-QGZVFWFLSA-N 0 1 287.403 3.646 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCCCC(F)(F)F)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903952915 1130213251 /nfs/dbraw/zinc/21/32/51/1130213251.db2.gz NCXSRLGEAMSANJ-NOOOWODRSA-N 0 1 295.345 3.539 20 0 CHADMN CCCC[C@H](CC)CC(=O)Nc1ccc2cncn2c1 ZINC001157396299 1130219520 /nfs/dbraw/zinc/21/95/20/1130219520.db2.gz KWIKTQQYDRWAFU-ZDUSSCGKSA-N 0 1 273.380 3.879 20 0 CHADMN Cc1nn(C)c(C)c1-c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC001240144368 1130223312 /nfs/dbraw/zinc/22/33/12/1130223312.db2.gz PJOZVUUUWLPBPY-UHFFFAOYSA-N 0 1 294.280 3.599 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCc3cscn3)n2)cc1 ZINC000748620561 1130240075 /nfs/dbraw/zinc/24/00/75/1130240075.db2.gz FNVDEPBSYNALKB-UHFFFAOYSA-N 0 1 288.401 3.529 20 0 CHADMN CN(C)Cc1ccc(-c2cccc(N3CCCCC3)c2)nc1 ZINC001240250949 1130248442 /nfs/dbraw/zinc/24/84/42/1130248442.db2.gz CPOCRLCKFUPNPG-UHFFFAOYSA-N 0 1 295.430 3.801 20 0 CHADMN C[C@@H]1CC[C@@H](NC2(c3cccc(C(F)(F)F)c3)COC2)C1 ZINC001170105727 1130249037 /nfs/dbraw/zinc/24/90/37/1130249037.db2.gz SIXDXSALTXSXLU-BXUZGUMPSA-N 0 1 299.336 3.709 20 0 CHADMN COC(=O)/C(C)=C/CN1CCCCC[C@@H]1c1ccc(C)o1 ZINC000748821642 1130249119 /nfs/dbraw/zinc/24/91/19/1130249119.db2.gz SRIRMCFPRUBZRO-NRMKIYEFSA-N 0 1 291.391 3.624 20 0 CHADMN COC(=O)/C(C)=C\CN1CCCCC[C@H]1c1ccc(C)o1 ZINC000748821645 1130249832 /nfs/dbraw/zinc/24/98/32/1130249832.db2.gz SRIRMCFPRUBZRO-WVUXNXBLSA-N 0 1 291.391 3.624 20 0 CHADMN C=Cc1cccc(-c2cccc(CCN3CCOCC3)c2)c1 ZINC001240266459 1130252353 /nfs/dbraw/zinc/25/23/53/1130252353.db2.gz YDCSMKDBHYABKD-UHFFFAOYSA-N 0 1 293.410 3.871 20 0 CHADMN CCCC[C@](CC)(N[C@H]1CC[C@@H](C)C1)C(=O)OCC ZINC001170109334 1130254775 /nfs/dbraw/zinc/25/47/75/1130254775.db2.gz NWFFOAGMYMROPZ-YCPHGPKFSA-N 0 1 269.429 3.667 20 0 CHADMN CC/C=C(/C)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000749050857 1130262495 /nfs/dbraw/zinc/26/24/95/1130262495.db2.gz QQNJKTSSKURLMX-YWEYNIOJSA-N 0 1 297.280 3.877 20 0 CHADMN Cc1cc(CN2CCSC(C)(C)CC2)cnc1Cl ZINC000789764498 1130275384 /nfs/dbraw/zinc/27/53/84/1130275384.db2.gz YFZHJSPQBJHDNP-UHFFFAOYSA-N 0 1 284.856 3.761 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CCC[C@@H](C2CC2)C1 ZINC000677040309 1130283386 /nfs/dbraw/zinc/28/33/86/1130283386.db2.gz KMZSJFYBANJHLN-DGCLKSJQSA-N 0 1 277.412 3.550 20 0 CHADMN Fc1ccnc(C2=CCCN(Cc3ccccc3)C2)c1 ZINC001240385349 1130285133 /nfs/dbraw/zinc/28/51/33/1130285133.db2.gz OJWSPCDCCYLLJR-UHFFFAOYSA-N 0 1 268.335 3.510 20 0 CHADMN Fc1cnccc1C1=CCCN(Cc2ccccc2)C1 ZINC001240386607 1130286286 /nfs/dbraw/zinc/28/62/86/1130286286.db2.gz DTSXZOGNIDBAGH-UHFFFAOYSA-N 0 1 268.335 3.510 20 0 CHADMN CCN(Cc1cccnc1)Cc1cnc2ccccc2c1 ZINC001137282115 1130286455 /nfs/dbraw/zinc/28/64/55/1130286455.db2.gz CDVZZISVEZMIKK-UHFFFAOYSA-N 0 1 277.371 3.652 20 0 CHADMN COc1cc(C2=CCCN(Cc3ccccc3)C2)c(F)cn1 ZINC001240387460 1130287479 /nfs/dbraw/zinc/28/74/79/1130287479.db2.gz REFAZXCNLJUDJQ-UHFFFAOYSA-N 0 1 298.361 3.519 20 0 CHADMN CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000826848158 1130289460 /nfs/dbraw/zinc/28/94/60/1130289460.db2.gz NFUMNJBZXHOJCW-SWLSCSKDSA-N 0 1 292.398 3.652 20 0 CHADMN CC(C)c1ccccc1OC(=O)c1ccc2cncn2c1 ZINC000790117582 1130290016 /nfs/dbraw/zinc/29/00/16/1130290016.db2.gz PLNCUHBYNJJSOR-UHFFFAOYSA-N 0 1 280.327 3.677 20 0 CHADMN Cc1cc2[nH]ccc2c(-c2cnn(CCC(C)C)c2)n1 ZINC001240416024 1130299666 /nfs/dbraw/zinc/29/96/66/1130299666.db2.gz MQBSOGHSTNSYDU-UHFFFAOYSA-N 0 1 268.364 3.781 20 0 CHADMN COc1ccc(F)c(F)c1-c1cc2nc[nH]c2cc1C ZINC001240434104 1130310880 /nfs/dbraw/zinc/31/08/80/1130310880.db2.gz UKJYOBXDPOJPBQ-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN CN1Cc2ccccc2[C@@H](NCc2coc3ccccc23)C1 ZINC000677426258 1130311039 /nfs/dbraw/zinc/31/10/39/1130311039.db2.gz JBWUNWMVYJNQDK-SFHVURJKSA-N 0 1 292.382 3.709 20 0 CHADMN COc1ccc(F)c(F)c1-c1cc2nc[nH]c2cc1OC ZINC001240435322 1130311541 /nfs/dbraw/zinc/31/15/41/1130311541.db2.gz GYRHUZTYJXVOFM-UHFFFAOYSA-N 0 1 290.269 3.525 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cc2ccsc2[nH]1 ZINC000677599545 1130318307 /nfs/dbraw/zinc/31/83/07/1130318307.db2.gz WHZNGHQOJJOBID-UHFFFAOYSA-N 0 1 292.747 3.841 20 0 CHADMN Cc1ccc2ncc(CN3CCC[C@H]4CCCC[C@H]43)n2c1 ZINC001137310386 1130321536 /nfs/dbraw/zinc/32/15/36/1130321536.db2.gz VJPJJFFJPGLLPT-NVXWUHKLSA-N 0 1 283.419 3.797 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC2(CC2)CC1 ZINC000677716871 1130322531 /nfs/dbraw/zinc/32/25/31/1130322531.db2.gz OOUMFDCJHLCXMF-NSHDSACASA-N 0 1 251.320 3.902 20 0 CHADMN Fc1ccc(CC2CN(Cc3cccc(F)c3)C2)cc1 ZINC000677699783 1130322986 /nfs/dbraw/zinc/32/29/86/1130322986.db2.gz BZBTXWXWNMXZPR-UHFFFAOYSA-N 0 1 273.326 3.639 20 0 CHADMN Cc1cc2cc(-c3ccc4c(c3)C[N@@H+](C)CC4)cnc2[nH]1 ZINC001240495981 1130328469 /nfs/dbraw/zinc/32/84/69/1130328469.db2.gz FFYMVYLZPBTVCL-UHFFFAOYSA-N 0 1 277.371 3.526 20 0 CHADMN C[C@H]1CC[C@@H]([N@@H+](Cc2cccnc2)Cc2ccccn2)C1 ZINC001170144823 1130330047 /nfs/dbraw/zinc/33/00/47/1130330047.db2.gz OZPICFMRISAONY-MAUKXSAKSA-N 0 1 281.403 3.667 20 0 CHADMN C[C@H]1CC[C@@H](N(Cc2cccnc2)Cc2ccccn2)C1 ZINC001170144823 1130330054 /nfs/dbraw/zinc/33/00/54/1130330054.db2.gz OZPICFMRISAONY-MAUKXSAKSA-N 0 1 281.403 3.667 20 0 CHADMN C[C@@H]1CC[C@@H]([N@@H+](Cc2cccnc2)Cc2ccccn2)C1 ZINC001170144822 1130330191 /nfs/dbraw/zinc/33/01/91/1130330191.db2.gz OZPICFMRISAONY-CRAIPNDOSA-N 0 1 281.403 3.667 20 0 CHADMN C[C@@H]1CC[C@@H](N(Cc2cccnc2)Cc2ccccn2)C1 ZINC001170144822 1130330198 /nfs/dbraw/zinc/33/01/98/1130330198.db2.gz OZPICFMRISAONY-CRAIPNDOSA-N 0 1 281.403 3.667 20 0 CHADMN F[C@@H]1CCN(Cc2cc3ccccc3[nH]2)CCC1(F)F ZINC001137313691 1130333778 /nfs/dbraw/zinc/33/37/78/1130333778.db2.gz MPDWZRQRIWPXHZ-CQSZACIVSA-N 0 1 282.309 3.737 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)[C@H]3CC34CCC4)c2C1 ZINC000677923155 1130339028 /nfs/dbraw/zinc/33/90/28/1130339028.db2.gz OCJYGOVHEHSNLC-MRXNPFEDSA-N 0 1 298.430 3.787 20 0 CHADMN Cc1cccc(C)c1[C@@H](C)OC(=O)c1ccc2cncn2c1 ZINC000790907840 1130339669 /nfs/dbraw/zinc/33/96/69/1130339669.db2.gz VOQPUFSZTQGTLJ-CQSZACIVSA-N 0 1 294.354 3.869 20 0 CHADMN Fc1ccc(C2(NCc3cn[nH]c3)CCCCC2)c(F)c1 ZINC000677966495 1130339587 /nfs/dbraw/zinc/33/95/87/1130339587.db2.gz MICJQBGFUALFAL-UHFFFAOYSA-N 0 1 291.345 3.637 20 0 CHADMN O=C(Oc1ccc(C2CCC2)cc1)c1ccc2cncn2c1 ZINC000790956284 1130340814 /nfs/dbraw/zinc/34/08/14/1130340814.db2.gz UAOMVNAZSVMDOG-UHFFFAOYSA-N 0 1 292.338 3.821 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)CCCc1ccsc1 ZINC000791052486 1130348816 /nfs/dbraw/zinc/34/88/16/1130348816.db2.gz VZSHGLHJFSHTCD-UHFFFAOYSA-N 0 1 299.399 3.894 20 0 CHADMN CC(=CC(=O)Nc1cc2cn[nH]c2cc1C)C(C)(C)C ZINC000791057521 1130349242 /nfs/dbraw/zinc/34/92/42/1130349242.db2.gz YGXBROKRFTWTPC-YRNVUSSQSA-N 0 1 271.364 3.802 20 0 CHADMN COc1cc([C@H](C)NCc2ccoc2C)ccc1F ZINC000678114578 1130349631 /nfs/dbraw/zinc/34/96/31/1130349631.db2.gz HWBJXVCVWJBKME-JTQLQIEISA-N 0 1 263.312 3.587 20 0 CHADMN c1ccc(CN(Cc2n[nH]c3ccccc23)C2CC2)cc1 ZINC000678131561 1130353762 /nfs/dbraw/zinc/35/37/62/1130353762.db2.gz FSRKASVLNRAFRV-UHFFFAOYSA-N 0 1 277.371 3.728 20 0 CHADMN c1ccc(CN(Cc2[nH]nc3ccccc32)C2CC2)cc1 ZINC000678131561 1130353780 /nfs/dbraw/zinc/35/37/80/1130353780.db2.gz FSRKASVLNRAFRV-UHFFFAOYSA-N 0 1 277.371 3.728 20 0 CHADMN Cn1nc(CN2CCC[C@@H]2c2cccs2)c2ccccc21 ZINC000678125529 1130355571 /nfs/dbraw/zinc/35/55/71/1130355571.db2.gz WIDCKOPNWFHLQQ-MRXNPFEDSA-N 0 1 297.427 3.972 20 0 CHADMN CN(Cc1ccsc1)Cc1nccc2ccccc21 ZINC000678126491 1130355903 /nfs/dbraw/zinc/35/59/03/1130355903.db2.gz WDUWTMKMXJXWGK-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN C[C@@H]1CCC[C@H](CNc2cnn(-c3ccncc3)c2)C1 ZINC000678156041 1130362738 /nfs/dbraw/zinc/36/27/38/1130362738.db2.gz NULAHUPQIIRUEG-KGLIPLIRSA-N 0 1 270.380 3.506 20 0 CHADMN CCOC(=O)CN([C@H](C)c1ccccc1)[C@H]1CC[C@@H](C)C1 ZINC001170156180 1130381548 /nfs/dbraw/zinc/38/15/48/1130381548.db2.gz AUKXAEYCLDLUNY-INMHGKMJSA-N 0 1 289.419 3.801 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1ccc(OC)c(O)c1 ZINC000678267072 1130383783 /nfs/dbraw/zinc/38/37/83/1130383783.db2.gz LUNKYWOCSPPJAQ-QGZVFWFLSA-N 0 1 297.398 3.910 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2n[nH]c3ccccc32)n1 ZINC000678266993 1130385432 /nfs/dbraw/zinc/38/54/32/1130385432.db2.gz LHJIGKIIADUXSQ-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2[nH]nc3ccccc32)n1 ZINC000678266993 1130385444 /nfs/dbraw/zinc/38/54/44/1130385444.db2.gz LHJIGKIIADUXSQ-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN CN(CCC1CCOCC1)Cc1cscc1Cl ZINC000678273880 1130385890 /nfs/dbraw/zinc/38/58/90/1130385890.db2.gz WQSJXJFEEXZYMI-UHFFFAOYSA-N 0 1 273.829 3.650 20 0 CHADMN Cc1cccc2ncc(CN3C4CCCC3CCC4)n21 ZINC000678280386 1130387849 /nfs/dbraw/zinc/38/78/49/1130387849.db2.gz ZUBWQZHXUZKHNW-UHFFFAOYSA-N 0 1 269.392 3.550 20 0 CHADMN Clc1cscc1CN1CCC[C@]2(CCCOC2)C1 ZINC000678276930 1130388298 /nfs/dbraw/zinc/38/82/98/1130388298.db2.gz CTBWRTSIOQTJLV-AWEZNQCLSA-N 0 1 285.840 3.794 20 0 CHADMN Fc1cccc([C@H]2CCN2Cc2ccc3nc[nH]c3c2)c1 ZINC000678284538 1130391067 /nfs/dbraw/zinc/39/10/67/1130391067.db2.gz XNPRFOKCHOYPEI-QGZVFWFLSA-N 0 1 281.334 3.649 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN(C)CCOC(C)(C)C ZINC000678283509 1130391336 /nfs/dbraw/zinc/39/13/36/1130391336.db2.gz DYHPBNWASPIHHV-UHFFFAOYSA-N 0 1 295.471 3.502 20 0 CHADMN Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccccc1C1CC1 ZINC000678295513 1130393843 /nfs/dbraw/zinc/39/38/43/1130393843.db2.gz FLTAQZIFSQBULR-GOSISDBHSA-N 0 1 295.430 3.807 20 0 CHADMN Cc1cc(C)c(CN2C[C@@H]3C[C@H](C2)c2ccccc23)[nH]1 ZINC001137330990 1130395287 /nfs/dbraw/zinc/39/52/87/1130395287.db2.gz LQXKITCTJNTSJU-GASCZTMLSA-N 0 1 266.388 3.718 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2NCC(C)(C)C)C[C@H](C)O1 ZINC000678344613 1130404757 /nfs/dbraw/zinc/40/47/57/1130404757.db2.gz QQJJUDIZDBVWOH-GASCZTMLSA-N 0 1 290.451 3.754 20 0 CHADMN Fc1ccc2[nH]cc(CN3CCCC[C@H](F)C3)c2c1 ZINC001137335471 1130411222 /nfs/dbraw/zinc/41/12/22/1130411222.db2.gz UKLYSGPFGHGRQM-ZDUSSCGKSA-N 0 1 264.319 3.631 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(C)nc2C)cc1F ZINC000678411355 1130411735 /nfs/dbraw/zinc/41/17/35/1130411735.db2.gz LFBDTQBCKPPEGA-GFCCVEGCSA-N 0 1 288.366 3.697 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2cccnc2)c(C)n1 ZINC000678412671 1130412131 /nfs/dbraw/zinc/41/21/31/1130412131.db2.gz YZBVOCUMGRGKKU-OCCSQVGLSA-N 0 1 255.365 3.505 20 0 CHADMN c1cc(-c2cnc(C3CC3)nc2)ccc1C1=NCCC1 ZINC001240683841 1130415916 /nfs/dbraw/zinc/41/59/16/1130415916.db2.gz BHTPKAQZCAGFHY-UHFFFAOYSA-N 0 1 263.344 3.604 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](C)c1ccc(C)nc1C ZINC000678427937 1130416363 /nfs/dbraw/zinc/41/63/63/1130416363.db2.gz OBGONNJMRDPXSW-AWEZNQCLSA-N 0 1 284.403 3.866 20 0 CHADMN Oc1ccc(F)cc1-c1cc(N2CCCCC2)ccn1 ZINC001240694239 1130421348 /nfs/dbraw/zinc/42/13/48/1130421348.db2.gz RYRQQWHGFVMAQQ-UHFFFAOYSA-N 0 1 272.323 3.584 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1nc3c(s1)CCC3)CC2 ZINC000678495904 1130422570 /nfs/dbraw/zinc/42/25/70/1130422570.db2.gz HDIDLKTYACLYAS-AWEZNQCLSA-N 0 1 284.428 3.717 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1cc(C)ccc1OC)CC2 ZINC000678580714 1130430435 /nfs/dbraw/zinc/43/04/35/1130430435.db2.gz HQDXFGIYJGLHSO-GOSISDBHSA-N 0 1 297.398 3.789 20 0 CHADMN COc1ccc(C)cc1CN[C@@H](C)c1cnc(C)s1 ZINC000678581159 1130431060 /nfs/dbraw/zinc/43/10/60/1130431060.db2.gz CMAFSYHZGHTJLE-NSHDSACASA-N 0 1 276.405 3.619 20 0 CHADMN Cc1nc([C@H](C)NC[C@H](C)Oc2ccccc2)c(C)s1 ZINC000678587723 1130431900 /nfs/dbraw/zinc/43/19/00/1130431900.db2.gz KWLAQTNIDOTFNL-RYUDHWBXSA-N 0 1 290.432 3.878 20 0 CHADMN C[C@@H](CC1CCC1)NCc1nnc(C(C)(C)C)s1 ZINC000678597901 1130436631 /nfs/dbraw/zinc/43/66/31/1130436631.db2.gz JSQCFHBXTFOAKX-JTQLQIEISA-N 0 1 267.442 3.504 20 0 CHADMN COc1c(F)ccc(F)c1-c1ccc2nc[nH]c2c1C ZINC001240723016 1130439230 /nfs/dbraw/zinc/43/92/30/1130439230.db2.gz JUZSZHPCDSDYFN-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN COc1c(F)ccc(F)c1-c1ccc(CN(C)C)c(F)c1 ZINC001240724554 1130440331 /nfs/dbraw/zinc/44/03/31/1130440331.db2.gz BHVMATLGMOUXLU-UHFFFAOYSA-N 0 1 295.304 3.841 20 0 CHADMN Clc1ccc2c(c1)CN(Cc1[nH]nc3ccccc31)CC2 ZINC001137343861 1130446201 /nfs/dbraw/zinc/44/62/01/1130446201.db2.gz IPBZWOPADAKETO-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@H](C)c1cnc(C)s1 ZINC000678698306 1130447489 /nfs/dbraw/zinc/44/74/89/1130447489.db2.gz OSZRNFJMOKDOMK-GHMZBOCLSA-N 0 1 275.421 3.821 20 0 CHADMN CC(C)n1ccc(CN[C@@H]2c3ccccc3CC[C@H]2C)n1 ZINC000678771769 1130452178 /nfs/dbraw/zinc/45/21/78/1130452178.db2.gz YXWFGLVEUWLWRL-KDOFPFPSSA-N 0 1 283.419 3.877 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2C)C(C)C)nn1C ZINC000678773528 1130453858 /nfs/dbraw/zinc/45/38/58/1130453858.db2.gz ORUGGGIPYKZKCE-KRWDZBQOSA-N 0 1 271.408 3.524 20 0 CHADMN CCc1nn(C)cc1CN([C@H](C)c1ccccc1)C1CC1 ZINC000678813970 1130459697 /nfs/dbraw/zinc/45/96/97/1130459697.db2.gz TYOYRSXZXARICJ-CQSZACIVSA-N 0 1 283.419 3.708 20 0 CHADMN C[C@@H](CCc1ccccc1)CN1CCO[C@@H](c2ccco2)C1 ZINC000678839987 1130463641 /nfs/dbraw/zinc/46/36/41/1130463641.db2.gz JDVLEFLKFZDBJM-QFBILLFUSA-N 0 1 299.414 3.922 20 0 CHADMN CC[C@@H]1C[C@@H](N2CCc3c4ccccc4oc3C2)CCO1 ZINC001170233552 1130465047 /nfs/dbraw/zinc/46/50/47/1130465047.db2.gz HBLDETMLZIOTNE-UONOGXRCSA-N 0 1 285.387 3.749 20 0 CHADMN CN1CCc2c(F)cc(-c3ccc4c(c3)CCCO4)cc2C1 ZINC001240776092 1130467462 /nfs/dbraw/zinc/46/74/62/1130467462.db2.gz SVKWKEPYGMEQIL-UHFFFAOYSA-N 0 1 297.373 3.806 20 0 CHADMN C[C@H](Cc1ccccc1Cl)N1CCc2cnccc2C1 ZINC001170267831 1130470913 /nfs/dbraw/zinc/47/09/13/1130470913.db2.gz ZKWQPMDNRSULEK-CYBMUJFWSA-N 0 1 286.806 3.724 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)n1c2ccccc2nc1CN ZINC001170248505 1130472325 /nfs/dbraw/zinc/47/23/25/1130472325.db2.gz SJFZHALXPMPPCR-LBPRGKRZSA-N 0 1 299.805 3.952 20 0 CHADMN FC(F)(F)c1cncc(-c2cc(N3CCCC3)ccn2)c1 ZINC001240788910 1130472957 /nfs/dbraw/zinc/47/29/57/1130472957.db2.gz HZZMGSKYPJDHSA-UHFFFAOYSA-N 0 1 293.292 3.763 20 0 CHADMN COc1cccc2c1OCC[C@@H]2NCc1ccc(C)c(C)c1 ZINC000678929352 1130473102 /nfs/dbraw/zinc/47/31/02/1130473102.db2.gz GHDARKFEVMOYGH-KRWDZBQOSA-N 0 1 297.398 3.925 20 0 CHADMN FC(F)(F)c1cncc(-c2cccc3nc[nH]c32)c1 ZINC001240791199 1130474336 /nfs/dbraw/zinc/47/43/36/1130474336.db2.gz OECKZXUCTHMYQB-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN CCn1cc(CN[C@@H](C)c2ccc(Cl)c(F)c2)cn1 ZINC000678938084 1130475356 /nfs/dbraw/zinc/47/53/56/1130475356.db2.gz ANEXYGGKZHMYRD-JTQLQIEISA-N 0 1 281.762 3.546 20 0 CHADMN CCC(CC)[N@@H+](CCOC)Cc1nc2c(s1)CCCC2 ZINC000678966556 1130478113 /nfs/dbraw/zinc/47/81/13/1130478113.db2.gz ADJVFFNGNUEEGX-UHFFFAOYSA-N 0 1 296.480 3.659 20 0 CHADMN CCC(CC)N(CCOC)Cc1nc2c(s1)CCCC2 ZINC000678966556 1130478115 /nfs/dbraw/zinc/47/81/15/1130478115.db2.gz ADJVFFNGNUEEGX-UHFFFAOYSA-N 0 1 296.480 3.659 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)N1CC2(C1)C[C@H](F)CS2 ZINC001170286681 1130479641 /nfs/dbraw/zinc/47/96/41/1130479641.db2.gz FDXVDDUDQXZGQZ-AAEUAGOBSA-N 0 1 299.842 3.800 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)N1CCc2ncccc2C1 ZINC001170283493 1130479820 /nfs/dbraw/zinc/47/98/20/1130479820.db2.gz LYEUPXJLFDMNFE-ZDUSSCGKSA-N 0 1 286.806 3.724 20 0 CHADMN C[C@@H]1CCCCC[N@H+]1Cc1nc2c(s1)CCCC2 ZINC000678990316 1130480365 /nfs/dbraw/zinc/48/03/65/1130480365.db2.gz IHROUEXLXOCSKH-GFCCVEGCSA-N 0 1 264.438 3.786 20 0 CHADMN CO[C@H]1C[C@H](N(C)Cc2cccc(Cl)c2F)C12CCC2 ZINC001170325200 1130481407 /nfs/dbraw/zinc/48/14/07/1130481407.db2.gz XXFDZEFFBSTBOM-KBPBESRZSA-N 0 1 297.801 3.869 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1ccc(OC(C)C)nc1 ZINC001240807108 1130481424 /nfs/dbraw/zinc/48/14/24/1130481424.db2.gz IBEFUDNFUNPXSU-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN Cc1ccnc(NC2CC(C)(C)OC(C)(C)C2)c1C ZINC001170360536 1130484319 /nfs/dbraw/zinc/48/43/19/1130484319.db2.gz YPEABWYPUBSSLU-UHFFFAOYSA-N 0 1 262.397 3.847 20 0 CHADMN COc1ccc(C(F)(F)F)cc1-c1nccc(N)c1C ZINC001240823127 1130486448 /nfs/dbraw/zinc/48/64/48/1130486448.db2.gz KAUAYLCLAVOPIR-UHFFFAOYSA-N 0 1 282.265 3.667 20 0 CHADMN Cc1cnc(C(C)(C)N[C@H]2CCc3ccccc32)s1 ZINC000679062958 1130488518 /nfs/dbraw/zinc/48/85/18/1130488518.db2.gz JZTIYOAITUPGMH-AWEZNQCLSA-N 0 1 272.417 3.964 20 0 CHADMN Cc1ccc2c(c1)[C@H](Nc1cnn(-c3ccncc3)c1)CC2 ZINC000679128415 1130495587 /nfs/dbraw/zinc/49/55/87/1130495587.db2.gz VHSUJZQCHMCQST-GOSISDBHSA-N 0 1 290.370 3.675 20 0 CHADMN CCN(CCC(=O)c1ccc(F)cc1)Cc1ccoc1 ZINC000679129655 1130496931 /nfs/dbraw/zinc/49/69/31/1130496931.db2.gz ZLAYKUOWWIFEFP-UHFFFAOYSA-N 0 1 275.323 3.514 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cccc2cccnc21 ZINC001240894379 1130506135 /nfs/dbraw/zinc/50/61/35/1130506135.db2.gz GQVBDRINNATJAT-UHFFFAOYSA-N 0 1 275.311 3.787 20 0 CHADMN Cc1nc2cccc(-c3ccc(N(C)C)cc3)c2[nH]1 ZINC001240915196 1130515208 /nfs/dbraw/zinc/51/52/08/1130515208.db2.gz ZHBXLZLJPLWAEW-UHFFFAOYSA-N 0 1 251.333 3.604 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1ccccc1C(F)(F)F ZINC000679338226 1130516545 /nfs/dbraw/zinc/51/65/45/1130516545.db2.gz HUBLVORCMNKMDQ-VIFPVBQESA-N 0 1 283.297 3.588 20 0 CHADMN CC[C@@H](C)Oc1cc(CN2CC=CCC2)ccc1OC ZINC000679358642 1130520982 /nfs/dbraw/zinc/52/09/82/1130520982.db2.gz JUSWWFDOVGZYRZ-CQSZACIVSA-N 0 1 275.392 3.634 20 0 CHADMN C[C@H]1CCN(Cc2cccc(-c3ccccn3)c2)C[C@H]1F ZINC000679360627 1130522438 /nfs/dbraw/zinc/52/24/38/1130522438.db2.gz QOAROGSQYXBQCU-WMLDXEAASA-N 0 1 284.378 3.929 20 0 CHADMN CC[C@@H](Nc1cnn(-c2ccncc2)c1)c1ccccc1F ZINC000679364660 1130523825 /nfs/dbraw/zinc/52/38/25/1130523825.db2.gz JKQGUQXDJUMSBX-QGZVFWFLSA-N 0 1 296.349 3.970 20 0 CHADMN C[C@H](N[C@@H](CCc1ccccc1)C(F)F)C1CCOCC1 ZINC000679395018 1130528036 /nfs/dbraw/zinc/52/80/36/1130528036.db2.gz VOUVVMKLVBUFJS-BBRMVZONSA-N 0 1 297.389 3.658 20 0 CHADMN CC(C)OC(=O)c1cccc(-c2ccc3cncn3c2)c1 ZINC001240946782 1130528476 /nfs/dbraw/zinc/52/84/76/1130528476.db2.gz VYULCSAZKKZWCX-UHFFFAOYSA-N 0 1 280.327 3.567 20 0 CHADMN Fc1ncccc1CNCc1csc2ccccc12 ZINC000793285154 1130537613 /nfs/dbraw/zinc/53/76/13/1130537613.db2.gz NEMGSAQLRAWXGB-UHFFFAOYSA-N 0 1 272.348 3.725 20 0 CHADMN F[C@H]1CCC2(C1)CCN(Cc1cccc(Cl)n1)CC2 ZINC001139552047 1130537889 /nfs/dbraw/zinc/53/78/89/1130537889.db2.gz LRGXNQLFRWQQDN-LBPRGKRZSA-N 0 1 282.790 3.839 20 0 CHADMN CCc1cnc(CN(C)C[C@@H]2CCc3ccccc32)s1 ZINC000679536618 1130538049 /nfs/dbraw/zinc/53/80/49/1130538049.db2.gz PNZVDLXMDKHTOB-AWEZNQCLSA-N 0 1 286.444 3.867 20 0 CHADMN Cc1ccc(CN2C[C@H](C(F)(F)F)CC[C@@H]2C)nc1 ZINC000679545122 1130539612 /nfs/dbraw/zinc/53/96/12/1130539612.db2.gz JHSUEKHSKOQAKS-NWDGAFQWSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1cc(Cl)ccc1CN1CCC(F)(F)CC1 ZINC000793360044 1130544694 /nfs/dbraw/zinc/54/46/94/1130544694.db2.gz OVUJNUCZAZZQTJ-UHFFFAOYSA-N 0 1 259.727 3.880 20 0 CHADMN CCCOc1cccc(CN2CCC(F)(F)CC2)c1 ZINC000793361813 1130546394 /nfs/dbraw/zinc/54/63/94/1130546394.db2.gz LZDDDNSXGPRYHX-UHFFFAOYSA-N 0 1 269.335 3.707 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cc2coc(C3CC3)n2)C1 ZINC000793370022 1130547498 /nfs/dbraw/zinc/54/74/98/1130547498.db2.gz MYTJDYKIQYVZKS-ZDUSSCGKSA-N 0 1 262.397 3.810 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2cc(C)sc2C)n(C)n1 ZINC000793523548 1130561736 /nfs/dbraw/zinc/56/17/36/1130561736.db2.gz IWWYRMMVSSPVRD-RYUDHWBXSA-N 0 1 277.437 3.819 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2ccc(Cl)cc2)n(C)n1 ZINC000793519381 1130562334 /nfs/dbraw/zinc/56/23/34/1130562334.db2.gz QWTIOWAHVLNHLI-NEPJUHHUSA-N 0 1 277.799 3.794 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H]3CC[C@H](C)[C@@H](C)C3)cc2[nH]1 ZINC001137393363 1130562953 /nfs/dbraw/zinc/56/29/53/1130562953.db2.gz ZPCKRKPTYDHUAQ-GMXVVIOVSA-N 0 1 285.391 3.882 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCc3cc(Cl)ccc32)n(C)n1 ZINC000793527585 1130564771 /nfs/dbraw/zinc/56/47/71/1130564771.db2.gz OADRMQFTJSYMAI-XHDPSFHLSA-N 0 1 289.810 3.720 20 0 CHADMN COc1c(C)cc(-c2nccc3[nH]ccc32)cc1C ZINC001241016233 1130568046 /nfs/dbraw/zinc/56/80/46/1130568046.db2.gz VQZGPUZFXACGEK-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN Cc1cc([C@H](C)NCc2c(C)oc3ccccc32)n(C)n1 ZINC000793550306 1130568349 /nfs/dbraw/zinc/56/83/49/1130568349.db2.gz DVARECWMEQDFIS-LBPRGKRZSA-N 0 1 283.375 3.634 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(Cl)c(C)c2)n(C)n1 ZINC000793556770 1130569680 /nfs/dbraw/zinc/56/96/80/1130569680.db2.gz YUURLWUTYICPDQ-GFCCVEGCSA-N 0 1 277.799 3.541 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@H](C)c2cc(C)nn2C)c1 ZINC000793529795 1130572205 /nfs/dbraw/zinc/57/22/05/1130572205.db2.gz VGCBZDIDSBPEFG-ZIAGYGMSSA-N 0 1 287.407 3.539 20 0 CHADMN CC[C@@]1(C)CC[N@@H+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000758394083 1130609892 /nfs/dbraw/zinc/60/98/92/1130609892.db2.gz AXLGKCUUUICEAC-HNNXBMFYSA-N 0 1 275.421 3.691 20 0 CHADMN Cc1c[nH]nc1CN1CCC(CCc2ccccc2)CC1 ZINC000811455241 1130611142 /nfs/dbraw/zinc/61/11/42/1130611142.db2.gz YMWAVVJBURPILM-UHFFFAOYSA-N 0 1 283.419 3.563 20 0 CHADMN Cc1ccc2nc(-c3cnc(Cl)c(C)c3)[nH]c2c1 ZINC000758463505 1130613355 /nfs/dbraw/zinc/61/33/55/1130613355.db2.gz XWOOWJWLSMNTTM-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN C[C@H]1c2cc(F)cc(F)c2CCN1CCCCCCCO ZINC000758751269 1130624026 /nfs/dbraw/zinc/62/40/26/1130624026.db2.gz IUYWTMOMCAAQCJ-ZDUSSCGKSA-N 0 1 297.389 3.827 20 0 CHADMN O[C@@H](CN1C2CCC1CC2)c1ccc(Cl)cc1Cl ZINC000759117166 1130637283 /nfs/dbraw/zinc/63/72/83/1130637283.db2.gz ACUMFRSWKXYHEC-MGULZYLOSA-N 0 1 286.202 3.654 20 0 CHADMN C[C@@H](CN(C)Cc1ccc(Cl)cc1)C(F)(F)F ZINC000441179198 1130638528 /nfs/dbraw/zinc/63/85/28/1130638528.db2.gz UWWMNHDVFZDXQE-VIFPVBQESA-N 0 1 265.706 3.970 20 0 CHADMN CC(C)(C)C1=CCN(C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000759269246 1130648652 /nfs/dbraw/zinc/64/86/52/1130648652.db2.gz RZIORCFOJBQLLO-INIZCTEOSA-N 0 1 295.373 3.676 20 0 CHADMN C[C@@H](C(=O)Nc1nc2ccc(Cl)cc2[nH]1)C1CCC1 ZINC001133190490 1130672195 /nfs/dbraw/zinc/67/21/95/1130672195.db2.gz POYBIYOOFRCBHC-MRVPVSSYSA-N 0 1 277.755 3.591 20 0 CHADMN Clc1ncccc1CNc1cc2c(cn1)CCCC2 ZINC000812345765 1130685856 /nfs/dbraw/zinc/68/58/56/1130685856.db2.gz NAWJAZNLVHQBRJ-UHFFFAOYSA-N 0 1 273.767 3.621 20 0 CHADMN CC(C)C[C@H](C(=O)NOC/C=C/Cl)c1ccccc1 ZINC000812398559 1130686649 /nfs/dbraw/zinc/68/66/49/1130686649.db2.gz SVXCNHJYRDZVAT-MRZGDXHCSA-N 0 1 281.783 3.617 20 0 CHADMN c1nc(NCc2nc3c(s2)CCCC3)cc2c1CCCC2 ZINC000812345624 1130686893 /nfs/dbraw/zinc/68/68/93/1130686893.db2.gz GVQGDXDHDCBNIX-UHFFFAOYSA-N 0 1 299.443 3.908 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235034772 1130702485 /nfs/dbraw/zinc/70/24/85/1130702485.db2.gz GTAFHULDENPQRO-YPMHNXCESA-N 0 1 276.330 3.753 20 0 CHADMN Cc1nnc(-c2ccc(CN3Cc4ccccc4C3)cc2)o1 ZINC001235047584 1130706678 /nfs/dbraw/zinc/70/66/78/1130706678.db2.gz YWUUVQHILTWYSC-UHFFFAOYSA-N 0 1 291.354 3.561 20 0 CHADMN CCN(Cc1occc1Br)CC(C)(C)C ZINC000812794909 1130718089 /nfs/dbraw/zinc/71/80/89/1130718089.db2.gz HRTNZACVYALPNE-UHFFFAOYSA-N 0 1 274.202 3.910 20 0 CHADMN COc1ncc(CN[C@@H]2CC[C@@H](C)c3ccccc32)s1 ZINC000638774647 1130724922 /nfs/dbraw/zinc/72/49/22/1130724922.db2.gz DDDJZNFVHGENOU-IAQYHMDHSA-N 0 1 288.416 3.880 20 0 CHADMN CCc1cccc(CN(C)Cc2cccc(Cl)c2)n1 ZINC001235259152 1130729456 /nfs/dbraw/zinc/72/94/56/1130729456.db2.gz URNSSIASEVYUNW-UHFFFAOYSA-N 0 1 274.795 3.929 20 0 CHADMN CCOc1cc(O)cc(CN(C)Cc2ccccc2C)c1 ZINC001235398295 1130738891 /nfs/dbraw/zinc/73/88/91/1130738891.db2.gz NTXXDTQJRQOBJU-UHFFFAOYSA-N 0 1 285.387 3.731 20 0 CHADMN CC[N@@H+](Cc1ccccc1)Cc1cc(F)c(F)c(OC)c1 ZINC001235434657 1130743109 /nfs/dbraw/zinc/74/31/09/1130743109.db2.gz UUDQUIRNLGDXAV-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN CCN(Cc1ccccc1)Cc1cc(F)c(F)c(OC)c1 ZINC001235434657 1130743113 /nfs/dbraw/zinc/74/31/13/1130743113.db2.gz UUDQUIRNLGDXAV-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN COc1cc(CN(C)Cc2ccccc2)cc(F)c1F ZINC001235430891 1130743399 /nfs/dbraw/zinc/74/33/99/1130743399.db2.gz CDBVGHRAIOODLD-UHFFFAOYSA-N 0 1 277.314 3.605 20 0 CHADMN COc1cc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)cc(F)c1F ZINC001235435113 1130744497 /nfs/dbraw/zinc/74/44/97/1130744497.db2.gz UFYBKXNHNSISRD-CHWSQXEVSA-N 0 1 281.346 3.595 20 0 CHADMN COc1cc(CN2CC[C@H]3CCC[C@@H]3C2)cc(F)c1F ZINC001235435113 1130744503 /nfs/dbraw/zinc/74/45/03/1130744503.db2.gz UFYBKXNHNSISRD-CHWSQXEVSA-N 0 1 281.346 3.595 20 0 CHADMN CCN(CCc1ccccn1)Cc1ccc(Cl)cc1F ZINC000781900345 1130747156 /nfs/dbraw/zinc/74/71/56/1130747156.db2.gz ZXFJRYZZDXSERD-UHFFFAOYSA-N 0 1 292.785 3.939 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1cncc(OC)c1C ZINC001235473737 1130749557 /nfs/dbraw/zinc/74/95/57/1130749557.db2.gz KXBUISXSWHSXDG-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN Cc1cc(Cl)cc(CN(CCO)Cc2cccs2)c1 ZINC001235528863 1130752190 /nfs/dbraw/zinc/75/21/90/1130752190.db2.gz BLHOPBQGNYEENX-UHFFFAOYSA-N 0 1 295.835 3.704 20 0 CHADMN CCN(CC)Cc1cccc(Br)c1Cl ZINC001235595523 1130757748 /nfs/dbraw/zinc/75/77/48/1130757748.db2.gz ZVJSQVAHEMBKIM-UHFFFAOYSA-N 0 1 276.605 3.944 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ncc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000813328033 1130759106 /nfs/dbraw/zinc/75/91/06/1130759106.db2.gz MGABITDYJNDBKK-LLVKDONJSA-N 0 1 297.324 3.664 20 0 CHADMN C[C@H](CN(C)Cc1ncc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000813328033 1130759111 /nfs/dbraw/zinc/75/91/11/1130759111.db2.gz MGABITDYJNDBKK-LLVKDONJSA-N 0 1 297.324 3.664 20 0 CHADMN CN(Cc1ccccn1)[C@@H]1CCc2cc(Cl)ccc21 ZINC000782192558 1130759351 /nfs/dbraw/zinc/75/93/51/1130759351.db2.gz IHNIBLWONWURTL-MRXNPFEDSA-N 0 1 272.779 3.854 20 0 CHADMN Cc1cncc(Br)c1CN1C[C@@H](C)CC12CC2 ZINC001235651500 1130761939 /nfs/dbraw/zinc/76/19/39/1130761939.db2.gz RIZBLXGMGPLXRR-JTQLQIEISA-N 0 1 295.224 3.527 20 0 CHADMN COc1cc(C)c(C)cc1-c1cncc2cc[nH]c21 ZINC001245021917 1130765291 /nfs/dbraw/zinc/76/52/91/1130765291.db2.gz ASUMYZSHRQFIGC-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN Fc1ccc2nc(CN3CC[C@@H]3c3ccccc3)[nH]c2c1 ZINC001235695964 1130769532 /nfs/dbraw/zinc/76/95/32/1130769532.db2.gz VTAYOJQXCALARW-MRXNPFEDSA-N 0 1 281.334 3.649 20 0 CHADMN CN(C)Cc1ccc(NC(=O)CC2(C)CCCC2)cc1F ZINC000813471361 1130770264 /nfs/dbraw/zinc/77/02/64/1130770264.db2.gz JHZHGHBDUNEBQG-UHFFFAOYSA-N 0 1 292.398 3.796 20 0 CHADMN Fc1ccc2[nH]c(CN3CC[C@H]4CCCC[C@@H]4C3)nc2c1 ZINC001235696105 1130770426 /nfs/dbraw/zinc/77/04/26/1130770426.db2.gz AOOYZUBJTSSHOA-CHWSQXEVSA-N 0 1 287.382 3.714 20 0 CHADMN CCc1ccccc1CN(C)Cc1ccc(Cl)nc1 ZINC000782507538 1130780506 /nfs/dbraw/zinc/78/05/06/1130780506.db2.gz OOIAJGCYOHCBLF-UHFFFAOYSA-N 0 1 274.795 3.929 20 0 CHADMN C[C@H]1COc2ccccc2CN1Cc1ccc(CF)cc1 ZINC000782519618 1130781315 /nfs/dbraw/zinc/78/13/15/1130781315.db2.gz LTYLFMJBEORTQI-AWEZNQCLSA-N 0 1 285.362 3.939 20 0 CHADMN Cc1ccc(CNCc2ccccc2C(C)C)nc1 ZINC000782539198 1130782861 /nfs/dbraw/zinc/78/28/61/1130782861.db2.gz GRNOYNLTQJUZFH-UHFFFAOYSA-N 0 1 254.377 3.803 20 0 CHADMN Cc1nc2cc(CN3CCC(F)CC3)ccc2s1 ZINC001235849682 1130786310 /nfs/dbraw/zinc/78/63/10/1130786310.db2.gz DWIFNSMURHICES-UHFFFAOYSA-N 0 1 264.369 3.539 20 0 CHADMN OCCCC[N@H+]1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC001235884723 1130792481 /nfs/dbraw/zinc/79/24/81/1130792481.db2.gz MLHXDMJMZCTZAQ-NSHDSACASA-N 0 1 288.218 3.555 20 0 CHADMN Cc1nc(-c2cc(O)cc(Cl)c2)cc2[nH]ccc21 ZINC001235900438 1130798677 /nfs/dbraw/zinc/79/86/77/1130798677.db2.gz VEBKOVQIRYGIAH-UHFFFAOYSA-N 0 1 258.708 3.897 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1ccc(O)cc1Cl ZINC001245083048 1130798926 /nfs/dbraw/zinc/79/89/26/1130798926.db2.gz GMZLJLRDUFJBHV-UHFFFAOYSA-N 0 1 258.708 3.897 20 0 CHADMN FC(F)(F)Oc1ccc(-c2cc3[nH]cnc3cn2)cc1 ZINC001235932200 1130809599 /nfs/dbraw/zinc/80/95/99/1130809599.db2.gz ULAHBOUJPOVCQW-UHFFFAOYSA-N 0 1 279.221 3.524 20 0 CHADMN OCCCCCN1CCSC[C@H]1c1cccc(Cl)c1 ZINC001235945857 1130813500 /nfs/dbraw/zinc/81/35/00/1130813500.db2.gz GRVWKPIACMYUKV-HNNXBMFYSA-N 0 1 299.867 3.593 20 0 CHADMN COc1ccc([C@@H](NC[C@H]2CCC=CO2)c2ccco2)cc1 ZINC000783309343 1130815319 /nfs/dbraw/zinc/81/53/19/1130815319.db2.gz HXSAWGYWHMSNCJ-SJLPKXTDSA-N 0 1 299.370 3.660 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@H]2CCC=CO2)cs1 ZINC000783310280 1130815522 /nfs/dbraw/zinc/81/55/22/1130815522.db2.gz NMEHAVKIMHFPNN-NWDGAFQWSA-N 0 1 266.410 3.610 20 0 CHADMN Fc1ccc([C@@H](NC[C@H]2CCC=CO2)c2ccccc2)nc1 ZINC000783311711 1130815740 /nfs/dbraw/zinc/81/57/40/1130815740.db2.gz WZWCXSRGRWNREQ-AEFFLSMTSA-N 0 1 298.361 3.592 20 0 CHADMN CCN(Cc1cccc2c1CCN2)Cc1ccccc1F ZINC001235959850 1130816080 /nfs/dbraw/zinc/81/60/80/1130816080.db2.gz DDEWHEWCQOQTDH-UHFFFAOYSA-N 0 1 284.378 3.816 20 0 CHADMN CCN(Cc1ccc2c(c1)CCN2)Cc1ccccc1F ZINC001235960306 1130818220 /nfs/dbraw/zinc/81/82/20/1130818220.db2.gz JELNVQQLOAPXHS-UHFFFAOYSA-N 0 1 284.378 3.816 20 0 CHADMN COC(=O)Cc1cc(N[C@@H](C)c2ccc(C)cc2C)ccn1 ZINC001170724836 1130821446 /nfs/dbraw/zinc/82/14/46/1130821446.db2.gz COCUMCHTQPOBHK-AWEZNQCLSA-N 0 1 298.386 3.587 20 0 CHADMN Cc1nc(-c2c(F)cc(F)c(O)c2F)nc2ccccc12 ZINC001235986749 1130823465 /nfs/dbraw/zinc/82/34/65/1130823465.db2.gz XICXZFVUUBECSQ-UHFFFAOYSA-N 0 1 290.244 3.728 20 0 CHADMN COC(=O)c1cc(C)cc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235996621 1130824417 /nfs/dbraw/zinc/82/44/17/1130824417.db2.gz KSOJZMJWTONVNS-UHFFFAOYSA-N 0 1 296.244 3.572 20 0 CHADMN Oc1c(F)cc(F)c(-c2cc(F)c(F)c(F)c2)c1F ZINC001235994996 1130824609 /nfs/dbraw/zinc/82/46/09/1130824609.db2.gz MPBNJZHEVJVADP-UHFFFAOYSA-N 0 1 278.151 3.894 20 0 CHADMN CCCCc1nc(C)cc(-c2c(F)cc(F)c(O)c2F)n1 ZINC001235994455 1130825271 /nfs/dbraw/zinc/82/52/71/1130825271.db2.gz RHPXYNXROXABIF-UHFFFAOYSA-N 0 1 296.292 3.918 20 0 CHADMN CSCc1ccnc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235995148 1130825826 /nfs/dbraw/zinc/82/58/26/1130825826.db2.gz WYPFXKGEAZCDII-UHFFFAOYSA-N 0 1 285.290 3.735 20 0 CHADMN Cc1nnc(-c2c(F)cc(F)c(O)c2F)c2ccccc12 ZINC001235989860 1130825982 /nfs/dbraw/zinc/82/59/82/1130825982.db2.gz KRPXTIJEMWXQLB-UHFFFAOYSA-N 0 1 290.244 3.728 20 0 CHADMN COc1ccc2[nH]ccc2c1-c1c(F)cc(F)c(O)c1F ZINC001235996935 1130827077 /nfs/dbraw/zinc/82/70/77/1130827077.db2.gz BARZWZSUZCLEHI-UHFFFAOYSA-N 0 1 293.244 3.966 20 0 CHADMN Oc1c(F)cc(F)c(-c2cc(F)c3nccnc3c2)c1F ZINC001235998569 1130827185 /nfs/dbraw/zinc/82/71/85/1130827185.db2.gz ZZURFCRVFQTGAH-UHFFFAOYSA-N 0 1 294.207 3.559 20 0 CHADMN COC(=O)c1cccc(C)c1-c1c(F)cc(F)c(O)c1F ZINC001235999043 1130827199 /nfs/dbraw/zinc/82/71/99/1130827199.db2.gz VRVRNIOBLWEPDS-UHFFFAOYSA-N 0 1 296.244 3.572 20 0 CHADMN COc1cc2[nH]ccc2c(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235998238 1130827407 /nfs/dbraw/zinc/82/74/07/1130827407.db2.gz VZRPULDBKRQBRV-UHFFFAOYSA-N 0 1 293.244 3.966 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc(C3CC3)nc2)c1F ZINC001235999473 1130827848 /nfs/dbraw/zinc/82/78/48/1130827848.db2.gz HEGIXBCKJFCANC-UHFFFAOYSA-N 0 1 265.234 3.749 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc(OCC3CC3)nc2)c1F ZINC001236002685 1130828639 /nfs/dbraw/zinc/82/86/39/1130828639.db2.gz RTZASBZTTQJQCU-UHFFFAOYSA-N 0 1 295.260 3.660 20 0 CHADMN Oc1c(F)cc(F)c(-c2cncc(-c3ncco3)c2)c1F ZINC001236001040 1130828658 /nfs/dbraw/zinc/82/86/58/1130828658.db2.gz RYOAZGMDRGLQOJ-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN Oc1c(F)cc(F)c(-c2ncccc2C2CC2)c1F ZINC001236001668 1130829185 /nfs/dbraw/zinc/82/91/85/1130829185.db2.gz DEEMWFQWBXJECG-UHFFFAOYSA-N 0 1 265.234 3.749 20 0 CHADMN COCc1ccc(-c2c(F)cc(F)c(O)c2F)cc1 ZINC001236002888 1130830471 /nfs/dbraw/zinc/83/04/71/1130830471.db2.gz UFKOEQCEGVWWTI-UHFFFAOYSA-N 0 1 268.234 3.623 20 0 CHADMN CC1(C)Oc2ccc(-c3c(F)cc(F)c(O)c3F)cc2O1 ZINC001236002519 1130830690 /nfs/dbraw/zinc/83/06/90/1130830690.db2.gz OTZHQYQEULJNJA-UHFFFAOYSA-N 0 1 296.244 3.984 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1ccnn1Cc1ccccc1 ZINC001236049471 1130839381 /nfs/dbraw/zinc/83/93/81/1130839381.db2.gz NUVJIUUTEOUZKX-UHFFFAOYSA-N 0 1 288.354 3.783 20 0 CHADMN CC(C)c1ccc(-c2cncc3nc[nH]c32)c(Cl)n1 ZINC001245102332 1130843090 /nfs/dbraw/zinc/84/30/90/1130843090.db2.gz HNOWWRLIVAHUIF-UHFFFAOYSA-N 0 1 272.739 3.797 20 0 CHADMN CCC(F)(F)CN[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000697569644 1130855879 /nfs/dbraw/zinc/85/58/79/1130855879.db2.gz MSHKOZKBZQTLMQ-BDAKNGLRSA-N 0 1 259.262 3.742 20 0 CHADMN CN(C)Cc1ccc(-c2cccnc2N2CCCC2)cc1F ZINC001236134012 1130872740 /nfs/dbraw/zinc/87/27/40/1130872740.db2.gz QSZPDRZFSGDXSG-UHFFFAOYSA-N 0 1 299.393 3.550 20 0 CHADMN CN[C@@H]1CCN1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001236167083 1130878988 /nfs/dbraw/zinc/87/89/88/1130878988.db2.gz LWKLUDGEFQUDOZ-KRWDZBQOSA-N 0 1 286.806 3.758 20 0 CHADMN CN[C@H]1CCN1Cc1ccc(N(C)c2ccc(C)cc2)cc1 ZINC001236165819 1130879017 /nfs/dbraw/zinc/87/90/17/1130879017.db2.gz GOMUCRFRQKNARX-LJQANCHMSA-N 0 1 295.430 3.514 20 0 CHADMN FC(F)(F)[C@H]1CC=C(c2cccc3[nH]nnc32)CC1 ZINC001236256378 1130907070 /nfs/dbraw/zinc/90/70/70/1130907070.db2.gz SUWDGOUHVFOWQS-VIFPVBQESA-N 0 1 267.254 3.704 20 0 CHADMN CC(C)Oc1c(F)ccc(-c2nccc3c2CCN3)c1F ZINC001236339512 1130915107 /nfs/dbraw/zinc/91/51/07/1130915107.db2.gz STQLRSPDRXZWRZ-UHFFFAOYSA-N 0 1 290.313 3.782 20 0 CHADMN Nc1cccc2c1CC[N@@H+](Cc1c3ccoc3ccc1F)C2 ZINC001236369285 1130921222 /nfs/dbraw/zinc/92/12/22/1130921222.db2.gz ZARQIQAKULPBSI-UHFFFAOYSA-N 0 1 296.345 3.712 20 0 CHADMN Nc1cccc2c1CCN(Cc1c3ccoc3ccc1F)C2 ZINC001236369285 1130921224 /nfs/dbraw/zinc/92/12/24/1130921224.db2.gz ZARQIQAKULPBSI-UHFFFAOYSA-N 0 1 296.345 3.712 20 0 CHADMN Cc1cccc(CN2CCCC[C@@](C)(F)C2)c1F ZINC001137672627 1130922964 /nfs/dbraw/zinc/92/29/64/1130922964.db2.gz PYALANVICWNVPO-OAHLLOKOSA-N 0 1 253.336 3.848 20 0 CHADMN Cc1ccc(F)c(-c2cc3[nH]ccc3c(C)[nH+]2)c1[O-] ZINC001236391553 1130927019 /nfs/dbraw/zinc/92/70/19/1130927019.db2.gz OSBQPSFLFXMKQN-UHFFFAOYSA-N 0 1 256.280 3.691 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(=O)[nH]n1)c1csc2ccccc21 ZINC000796756612 1130928703 /nfs/dbraw/zinc/92/87/03/1130928703.db2.gz VRCMLQQMJFNFMP-GHMZBOCLSA-N 0 1 299.399 3.809 20 0 CHADMN Cc1nc2cccc(-c3c(F)ccc(C)c3O)c2[nH]1 ZINC001236404886 1130930162 /nfs/dbraw/zinc/93/01/62/1130930162.db2.gz GSHOYISPMHDZBB-UHFFFAOYSA-N 0 1 256.280 3.691 20 0 CHADMN CC[C@@H](C)n1ncc(N[C@H]2CCCc3[nH]ncc32)c1C1CC1 ZINC000796898829 1130944690 /nfs/dbraw/zinc/94/46/90/1130944690.db2.gz PATLZUQOUYCEOQ-RISCZKNCSA-N 0 1 299.422 3.944 20 0 CHADMN CC(C)Oc1cc(F)ccc1N[C@H]1CCCc2[nH]ncc21 ZINC000796929757 1130946347 /nfs/dbraw/zinc/94/63/47/1130946347.db2.gz ULDLTPLYGLGHGU-ZDUSSCGKSA-N 0 1 289.354 3.826 20 0 CHADMN c1nc2cc(N[C@@H]3CCCc4[nH]ncc43)ccc2s1 ZINC000796964485 1130949832 /nfs/dbraw/zinc/94/98/32/1130949832.db2.gz IOHNURRRDXFLDE-LLVKDONJSA-N 0 1 270.361 3.509 20 0 CHADMN CC(C)Nc1ccc(-c2cc(-n3ccnc3)ccn2)cc1 ZINC001236481908 1130952176 /nfs/dbraw/zinc/95/21/76/1130952176.db2.gz CSCCESOECXJODA-UHFFFAOYSA-N 0 1 278.359 3.755 20 0 CHADMN CCC[C@H]1CCCN(Cc2ccnc(Br)c2)C1 ZINC000815060913 1130954512 /nfs/dbraw/zinc/95/45/12/1130954512.db2.gz FXURPDVKANRWPB-LBPRGKRZSA-N 0 1 297.240 3.856 20 0 CHADMN C[C@@H]1CN(Cc2c(-c3ccccc3)nc3sccn23)[C@H]1C ZINC000815163144 1130963234 /nfs/dbraw/zinc/96/32/34/1130963234.db2.gz LWROFDMIHVLXJO-OLZOCXBDSA-N 0 1 297.427 3.903 20 0 CHADMN Cc1cc(C)c(Cl)c(-c2nc3nc[nH]c3c(C)n2)c1 ZINC001236547583 1130971386 /nfs/dbraw/zinc/97/13/86/1130971386.db2.gz KPPAWVKKNQLCPL-UHFFFAOYSA-N 0 1 272.739 3.550 20 0 CHADMN Cc1cc(Cl)cc(CN2CCC[C@@H](C)[C@@H]2C)n1 ZINC001236638836 1130986703 /nfs/dbraw/zinc/98/67/03/1130986703.db2.gz LCJGNBPNGZZLOR-PWSUYJOCSA-N 0 1 252.789 3.664 20 0 CHADMN CN(Cc1cc(Cl)c(F)c(Cl)c1)[C@@H]1CCCOC1 ZINC001236659599 1130989495 /nfs/dbraw/zinc/98/94/95/1130989495.db2.gz QGALWNQAUPHWGK-SNVBAGLBSA-N 0 1 292.181 3.743 20 0 CHADMN COc1cc2ccccc2cc1CN1CCC(C(C)=O)CC1 ZINC001236676281 1130991641 /nfs/dbraw/zinc/99/16/41/1130991641.db2.gz WWSHEHXYHIBHNS-UHFFFAOYSA-N 0 1 297.398 3.649 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(Br)c(O)c2)[C@H]1C ZINC001236688231 1130994246 /nfs/dbraw/zinc/99/42/46/1130994246.db2.gz UFWYXNUCDUGTIU-MNOVXSKESA-N 0 1 298.224 3.775 20 0 CHADMN CCN(Cc1cccs1)Cc1ccc(F)c(O)c1 ZINC001236707573 1130995494 /nfs/dbraw/zinc/99/54/94/1130995494.db2.gz IDMUQKURTZPTHA-UHFFFAOYSA-N 0 1 265.353 3.615 20 0 CHADMN Cc1c(F)ccc(CN2CCC[C@](C)(O)CC2)c1Cl ZINC001236707208 1130995804 /nfs/dbraw/zinc/99/58/04/1130995804.db2.gz CVGGIHKIJJCHKI-HNNXBMFYSA-N 0 1 285.790 3.524 20 0 CHADMN Cc1c(F)ccc(CN2CCCC[C@](C)(O)C2)c1Cl ZINC001236707053 1130995911 /nfs/dbraw/zinc/99/59/11/1130995911.db2.gz AHIUQLMQQZVXMO-HNNXBMFYSA-N 0 1 285.790 3.524 20 0 CHADMN CC[C@H]1CCCN(Cc2ccc(Br)c(O)c2)C1 ZINC001236697651 1130996519 /nfs/dbraw/zinc/99/65/19/1130996519.db2.gz GTQWESPSYYZNHQ-NSHDSACASA-N 0 1 298.224 3.777 20 0 CHADMN CSC1CCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC001137653539 1130997001 /nfs/dbraw/zinc/99/70/01/1130997001.db2.gz XCVDVMVMKIHYCO-UHFFFAOYSA-N 0 1 273.804 3.807 20 0 CHADMN Cc1cc(CNC2(c3cccc(F)c3)CC2)cc(Cl)n1 ZINC000797602268 1130997819 /nfs/dbraw/zinc/99/78/19/1130997819.db2.gz IVOFGBLGORNZSQ-UHFFFAOYSA-N 0 1 290.769 3.961 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3ccc(F)cc32)cc(Cl)n1 ZINC000797599967 1130998033 /nfs/dbraw/zinc/99/80/33/1130998033.db2.gz ABLWZBPEHHESAP-OAHLLOKOSA-N 0 1 290.769 3.960 20 0 CHADMN CC1CCN(Cc2ccc(OC(F)F)cc2F)CC1 ZINC001236715165 1130998175 /nfs/dbraw/zinc/99/81/75/1130998175.db2.gz GAQWPQHGPNZTKG-UHFFFAOYSA-N 0 1 273.298 3.659 20 0 CHADMN Cc1c(F)ccc(CN2C[C@H]3CCCC(=O)[C@@H]3C2)c1Cl ZINC001236712933 1130998438 /nfs/dbraw/zinc/99/84/38/1130998438.db2.gz CAGGQUZGEKTGRV-DGCLKSJQSA-N 0 1 295.785 3.589 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000815597260 1131005605 /nfs/dbraw/zinc/00/56/05/1131005605.db2.gz RBLRVLAKTMJROZ-IAQYHMDHSA-N 0 1 273.355 3.585 20 0 CHADMN COc1cc(CN(C)CCc2ccccc2)c(F)cc1F ZINC001236815626 1131015182 /nfs/dbraw/zinc/01/51/82/1131015182.db2.gz SATRDIIJTRGOFS-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN C[C@H](Cc1ccsc1)NCc1c(F)cc(F)cc1F ZINC000815650136 1131017869 /nfs/dbraw/zinc/01/78/69/1131017869.db2.gz JMVVEFPJRSLYGJ-SECBINFHSA-N 0 1 285.334 3.886 20 0 CHADMN CCCO[C@H]1CCN(Cc2cccc(C)c2Cl)C1 ZINC001236854380 1131023912 /nfs/dbraw/zinc/02/39/12/1131023912.db2.gz QYUOHYTVJYPXIR-AWEZNQCLSA-N 0 1 267.800 3.649 20 0 CHADMN CCC[N@H+](Cc1sc(=O)[n-]c1Cl)[C@H](C)CC ZINC001237156377 1131059776 /nfs/dbraw/zinc/05/97/76/1131059776.db2.gz AZJZEFFKQSMLFZ-MRVPVSSYSA-N 0 1 262.806 3.513 20 0 CHADMN CCC[N@@H+](Cc1sc(=O)[n-]c1Cl)[C@H](C)CC ZINC001237156377 1131059780 /nfs/dbraw/zinc/05/97/80/1131059780.db2.gz AZJZEFFKQSMLFZ-MRVPVSSYSA-N 0 1 262.806 3.513 20 0 CHADMN CC(C)(C(=O)OCc1cccc2ccccc21)N1CCCC1 ZINC000805610118 1131060964 /nfs/dbraw/zinc/06/09/64/1131060964.db2.gz CIVYGWIYFGCZPL-UHFFFAOYSA-N 0 1 297.398 3.757 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCc2c(C)cccc2C1 ZINC000798943305 1131062804 /nfs/dbraw/zinc/06/28/04/1131062804.db2.gz HNIGZLYWQTUSOV-UHFFFAOYSA-N 0 1 283.419 3.639 20 0 CHADMN Cc1ccc(NC(=O)c2ccc(Cl)c(O)c2)cc1C ZINC001135421451 1131063877 /nfs/dbraw/zinc/06/38/77/1131063877.db2.gz HUUVTIYQXKNNHF-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN CCC1CCN(Cc2cccc(OC)c2Cl)CC1 ZINC001237184662 1131064887 /nfs/dbraw/zinc/06/48/87/1131064887.db2.gz DYMOUVYFMIGHCT-UHFFFAOYSA-N 0 1 267.800 3.971 20 0 CHADMN c1cc(CN2CCc3ncsc3C2)c2cccccc1-2 ZINC001237192630 1131068356 /nfs/dbraw/zinc/06/83/56/1131068356.db2.gz GQALODJJNUNNIH-UHFFFAOYSA-N 0 1 280.396 3.806 20 0 CHADMN CC(C)CCNC(=O)c1cc(Cl)c2ccccc2c1O ZINC001135482703 1131072182 /nfs/dbraw/zinc/07/21/82/1131072182.db2.gz GCCPVWDBCMRQQK-UHFFFAOYSA-N 0 1 291.778 3.975 20 0 CHADMN COc1nc(Cl)ccc1CN1CCC[C@H](C)[C@H](C)C1 ZINC001237241206 1131073030 /nfs/dbraw/zinc/07/30/30/1131073030.db2.gz IXAVDCYVZULOLK-NWDGAFQWSA-N 0 1 282.815 3.612 20 0 CHADMN COC(CN(CC=C(C)C)Cc1ccc(Cl)cc1)OC ZINC000799199884 1131075268 /nfs/dbraw/zinc/07/52/68/1131075268.db2.gz MSLNATWAIKKLAK-UHFFFAOYSA-N 0 1 297.826 3.727 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1ccncc1C(F)(F)F ZINC001237286788 1131079328 /nfs/dbraw/zinc/07/93/28/1131079328.db2.gz COLRHWGFTUFHTO-PHIMTYICSA-N 0 1 272.314 3.863 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2ccncc2C(F)(F)F)C1 ZINC001237294691 1131079929 /nfs/dbraw/zinc/07/99/29/1131079929.db2.gz LZWBAROGDFEUNG-GHMZBOCLSA-N 0 1 272.314 3.578 20 0 CHADMN Cc1cc(F)cc(C)c1CN1CCc2cc(O)ccc2C1 ZINC001237317238 1131081051 /nfs/dbraw/zinc/08/10/51/1131081051.db2.gz JYZFUBPVVQFIPA-UHFFFAOYSA-N 0 1 285.362 3.706 20 0 CHADMN CCc1cccc(C)c1C[N@@H+](C)Cc1cccc(O)c1 ZINC001237331616 1131087422 /nfs/dbraw/zinc/08/74/22/1131087422.db2.gz BCLMIYFOLQIAEF-UHFFFAOYSA-N 0 1 269.388 3.895 20 0 CHADMN C[C@]1(CF)CCN(Cc2ccc(OC(F)F)c(F)c2)C1 ZINC001237352905 1131088146 /nfs/dbraw/zinc/08/81/46/1131088146.db2.gz PENNQKFPZKVVOL-CQSZACIVSA-N 0 1 291.288 3.609 20 0 CHADMN CC(C)(C)c1ccc(NC(=O)c2cncc3nc[nH]c32)cc1 ZINC001135565855 1131091747 /nfs/dbraw/zinc/09/17/47/1131091747.db2.gz FVJQSOWBQLVZGI-UHFFFAOYSA-N 0 1 294.358 3.508 20 0 CHADMN Cc1ccc(F)c(CN(C)CC2CCOCC2)c1Cl ZINC001138023108 1131094300 /nfs/dbraw/zinc/09/43/00/1131094300.db2.gz YYTNMMIXZSEQTG-UHFFFAOYSA-N 0 1 285.790 3.646 20 0 CHADMN COc1ccc2c(c1)[nH]nc2CN(C)Cc1ccccc1C ZINC001237388134 1131094233 /nfs/dbraw/zinc/09/42/33/1131094233.db2.gz ICMRAROQFQPDIO-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN Oc1cc(-c2nncc3ccc(F)cc32)c(F)c(F)c1F ZINC001245636200 1131095647 /nfs/dbraw/zinc/09/56/47/1131095647.db2.gz JTGAOFJWASQPDC-UHFFFAOYSA-N 0 1 294.207 3.559 20 0 CHADMN c1c2ccccn2nc1CN1CCC2(CCCCC2)CC1 ZINC001237438655 1131097668 /nfs/dbraw/zinc/09/76/68/1131097668.db2.gz KJJVMUKXDACFDN-UHFFFAOYSA-N 0 1 283.419 3.881 20 0 CHADMN CC(C)CN(Cc1cc2ccccn2n1)Cc1ccccc1 ZINC001237438078 1131097697 /nfs/dbraw/zinc/09/76/97/1131097697.db2.gz DMQLXCPBJUCKRD-UHFFFAOYSA-N 0 1 293.414 3.993 20 0 CHADMN CC(C)c1cccc(C[N@H+]2CCCC(=O)[C@@H](C)C2)c1 ZINC001237456400 1131099723 /nfs/dbraw/zinc/09/97/23/1131099723.db2.gz IPOBQLWRZDCJJP-AWEZNQCLSA-N 0 1 259.393 3.611 20 0 CHADMN C[C@@H]1CN(Cc2c(Cl)[nH]c3cnccc32)CCC1(F)F ZINC001237449075 1131099830 /nfs/dbraw/zinc/09/98/30/1131099830.db2.gz KYFOVNOMUCDRRY-SECBINFHSA-N 0 1 299.752 3.693 20 0 CHADMN O=C(c1ccc(Cl)c(O)c1)N1CCCc2ccccc21 ZINC001135603258 1131100361 /nfs/dbraw/zinc/10/03/61/1131100361.db2.gz ABJXWYQJDACDIF-UHFFFAOYSA-N 0 1 287.746 3.639 20 0 CHADMN Clc1[nH]c2cnccc2c1CN1CCCCC12CC2 ZINC001237457907 1131101027 /nfs/dbraw/zinc/10/10/27/1131101027.db2.gz FTEZCARNVZPPQR-UHFFFAOYSA-N 0 1 275.783 3.735 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1cccc(C(C)C)c1 ZINC001237460118 1131101526 /nfs/dbraw/zinc/10/15/26/1131101526.db2.gz IPLISUNMHFVGLG-KRWDZBQOSA-N 0 1 259.393 3.754 20 0 CHADMN O=c1[nH]c2ccccc2c(Cl)c1CN1CCC[C@@H]2C[C@@H]21 ZINC001237506718 1131105547 /nfs/dbraw/zinc/10/55/47/1131105547.db2.gz ZXOPGDDHSMFCSG-YGRLFVJLSA-N 0 1 288.778 3.578 20 0 CHADMN Cc1cc(CN(C)CC2CC2)c(Br)cc1F ZINC001237505827 1131106521 /nfs/dbraw/zinc/10/65/21/1131106521.db2.gz MMAYDQSGUHHHKR-UHFFFAOYSA-N 0 1 286.188 3.738 20 0 CHADMN COc1c(C)cccc1CN1CC[C@@H]1c1ccccc1 ZINC001237514500 1131107381 /nfs/dbraw/zinc/10/73/81/1131107381.db2.gz UAKSCSJNUNJNJW-QGZVFWFLSA-N 0 1 267.372 3.951 20 0 CHADMN Fc1cccc2c(CN3CCc4ncccc4C3)cccc12 ZINC001237515806 1131107946 /nfs/dbraw/zinc/10/79/46/1131107946.db2.gz QPRSSHOGDHQGGR-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN Fc1cccc2c(CN3CCc4cccnc4C3)cccc12 ZINC001237517629 1131109294 /nfs/dbraw/zinc/10/92/94/1131109294.db2.gz ILQZPCBLPMIMQZ-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1ccn2nccc2c1 ZINC001237543003 1131112377 /nfs/dbraw/zinc/11/23/77/1131112377.db2.gz QWUBAFPJYNXHOL-CQSZACIVSA-N 0 1 295.386 3.536 20 0 CHADMN Cc1cc(CN2CC(C)(C)[C@H]2C(C)C)cnc1Cl ZINC000816624939 1131113165 /nfs/dbraw/zinc/11/31/65/1131113165.db2.gz MFMLPARSEGYPKR-CYBMUJFWSA-N 0 1 266.816 3.910 20 0 CHADMN Cc1ncc(CN2CCC[C@H]2C(C)C)cc1Br ZINC001237559284 1131114270 /nfs/dbraw/zinc/11/42/70/1131114270.db2.gz XVICOHIPAZOZHQ-AWEZNQCLSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1cc2c(cc1C)N(C(=O)c1c[nH]nc1C(C)(C)C)CC2 ZINC000816642844 1131118190 /nfs/dbraw/zinc/11/81/90/1131118190.db2.gz MYDJYOUWGGOFQY-UHFFFAOYSA-N 0 1 297.402 3.527 20 0 CHADMN CCCCOc1ccc(CN2C[C@H](C)[C@H]2C)cc1OC ZINC000816648042 1131118692 /nfs/dbraw/zinc/11/86/92/1131118692.db2.gz CQWCNRTUCAXQOQ-UONOGXRCSA-N 0 1 277.408 3.714 20 0 CHADMN COC(=N)c1cccc(-c2cc(Cl)c(O)cc2F)c1 ZINC001245671426 1131122912 /nfs/dbraw/zinc/12/29/12/1131122912.db2.gz IJAJBYREKOQVRD-UHFFFAOYSA-N 0 1 279.698 3.823 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3ccccc3)[nH]n2)cc1C ZINC001135661279 1131123424 /nfs/dbraw/zinc/12/34/24/1131123424.db2.gz XGMHNAAQNXFSQV-UHFFFAOYSA-N 0 1 291.354 3.946 20 0 CHADMN Cc1coc(CN(Cc2ccccc2)C[Si](C)(C)C)n1 ZINC001237646204 1131123783 /nfs/dbraw/zinc/12/37/83/1131123783.db2.gz OXDKUGLAQJJMFU-UHFFFAOYSA-N 0 1 288.467 3.863 20 0 CHADMN Oc1cc(F)c(-c2cccc3cncnc32)cc1Cl ZINC001245671992 1131123838 /nfs/dbraw/zinc/12/38/38/1131123838.db2.gz OOZUFULMZSOBEU-UHFFFAOYSA-N 0 1 274.682 3.795 20 0 CHADMN OCC[C@@H](NCc1ccc(CF)cc1)c1ccccc1F ZINC000830355056 1131124746 /nfs/dbraw/zinc/12/47/46/1131124746.db2.gz CXTSIIXTTPAHGD-QGZVFWFLSA-N 0 1 291.341 3.509 20 0 CHADMN Cc1cc(C)c(Cl)c(C[N@H+]2CCCOC(C)(C)C2)c1 ZINC001237704776 1131131183 /nfs/dbraw/zinc/13/11/83/1131131183.db2.gz PYUVKTXXJCBKFZ-UHFFFAOYSA-N 0 1 281.827 3.958 20 0 CHADMN CCCO[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2Cl)C1 ZINC001237705100 1131131594 /nfs/dbraw/zinc/13/15/94/1131131594.db2.gz YZYBLSCFRKDLGT-HNNXBMFYSA-N 0 1 281.827 3.958 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N(CC)CC(=O)OC(C)C ZINC001116161245 1131132169 /nfs/dbraw/zinc/13/21/69/1131132169.db2.gz KSDFOCFJGSPFGI-KRWDZBQOSA-N 0 1 291.435 3.590 20 0 CHADMN COc1ccc(C)c(CN(C)Cc2ccccc2OC)c1 ZINC001237712312 1131132522 /nfs/dbraw/zinc/13/25/22/1131132522.db2.gz BTFQJWLCBKFNNY-UHFFFAOYSA-N 0 1 285.387 3.644 20 0 CHADMN CCCC1CCN([C@@H](C)C(=O)Nc2ccccc2C)CC1 ZINC001116196664 1131133474 /nfs/dbraw/zinc/13/34/74/1131133474.db2.gz OCGIWGBFGRMOSB-HNNXBMFYSA-N 0 1 288.435 3.834 20 0 CHADMN COc1c(F)c(C)ccc1Nc1cccc2[nH]ncc21 ZINC001159574629 1131133745 /nfs/dbraw/zinc/13/37/45/1131133745.db2.gz JJMWVTUSLXBANI-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1cccc2c1OCC2 ZINC001237749192 1131138304 /nfs/dbraw/zinc/13/83/04/1131138304.db2.gz NOSURKVFLQKTFF-RMKNXTFCSA-N 0 1 279.383 3.767 20 0 CHADMN Cc1ncc(CN(C)[C@@H]2CCc3c2cccc3F)s1 ZINC001116324382 1131140232 /nfs/dbraw/zinc/14/02/32/1131140232.db2.gz JHEUSZLQYCDNPD-OAHLLOKOSA-N 0 1 276.380 3.710 20 0 CHADMN COc1ccc(CN2[C@@H](C)CCC[C@@H]2C)c(Cl)n1 ZINC001237793411 1131140885 /nfs/dbraw/zinc/14/08/85/1131140885.db2.gz AXVKDOHGZIWPHD-QWRGUYRKSA-N 0 1 268.788 3.507 20 0 CHADMN COc1ccc(CN2[C@H](C)CCC[C@@H]2C)c(Cl)n1 ZINC001237793408 1131140945 /nfs/dbraw/zinc/14/09/45/1131140945.db2.gz AXVKDOHGZIWPHD-PHIMTYICSA-N 0 1 268.788 3.507 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ccc(OC)nc1Cl ZINC001237797812 1131141548 /nfs/dbraw/zinc/14/15/48/1131141548.db2.gz RQPJIHFOFPNOCY-GFCCVEGCSA-N 0 1 268.788 3.508 20 0 CHADMN CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)c(C)n1 ZINC001237821813 1131143744 /nfs/dbraw/zinc/14/37/44/1131143744.db2.gz QESRLYUVOAFNMY-UHFFFAOYSA-N 0 1 276.330 3.690 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1ccc(F)c(C)n1 ZINC001237821813 1131143748 /nfs/dbraw/zinc/14/37/48/1131143748.db2.gz QESRLYUVOAFNMY-UHFFFAOYSA-N 0 1 276.330 3.690 20 0 CHADMN c1ccc(-c2cccc(CN3CC4(C3)CCCC4)n2)nc1 ZINC001237827578 1131144196 /nfs/dbraw/zinc/14/41/96/1131144196.db2.gz AQRAFRZXKYWNSM-UHFFFAOYSA-N 0 1 279.387 3.520 20 0 CHADMN CCc1ncc(C[N@H+]2CC[C@H](C)C(F)(F)CC2)s1 ZINC001237821003 1131144594 /nfs/dbraw/zinc/14/45/94/1131144594.db2.gz IHCKJIGDBJPWAD-JTQLQIEISA-N 0 1 274.380 3.573 20 0 CHADMN CCc1ncc(CN2CC[C@H](C)C(F)(F)CC2)s1 ZINC001237821003 1131144597 /nfs/dbraw/zinc/14/45/97/1131144597.db2.gz IHCKJIGDBJPWAD-JTQLQIEISA-N 0 1 274.380 3.573 20 0 CHADMN CC[C@H](C)N(C)Cc1cccc(OC)c1Br ZINC001237861099 1131145551 /nfs/dbraw/zinc/14/55/51/1131145551.db2.gz SJGHLARPRPMACQ-JTQLQIEISA-N 0 1 286.213 3.688 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC001116441598 1131146347 /nfs/dbraw/zinc/14/63/47/1131146347.db2.gz ZHZWKMFJBVKDDF-LLVKDONJSA-N 0 1 297.324 3.930 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CCC12CCCC2 ZINC001237876118 1131147133 /nfs/dbraw/zinc/14/71/33/1131147133.db2.gz CVHYMBXQTQBUQA-UHFFFAOYSA-N 0 1 285.391 3.537 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1CN1CCC12CCCC2 ZINC001237876118 1131147135 /nfs/dbraw/zinc/14/71/35/1131147135.db2.gz CVHYMBXQTQBUQA-UHFFFAOYSA-N 0 1 285.391 3.537 20 0 CHADMN CCCCCN(C)Cc1[nH]c(-c2ccc[nH]2)cc1OC ZINC001237871745 1131147486 /nfs/dbraw/zinc/14/74/86/1131147486.db2.gz MAAWNQIMWXDBEG-UHFFFAOYSA-N 0 1 275.396 3.640 20 0 CHADMN COc1ccoc1CN1CC[C@H](c2ccccc2Cl)C1 ZINC001237872976 1131147735 /nfs/dbraw/zinc/14/77/35/1131147735.db2.gz AQCZVHAMZKDXTB-LBPRGKRZSA-N 0 1 291.778 3.931 20 0 CHADMN CCCOc1cc(F)ccc1CN1CCCCC1 ZINC001237904352 1131150022 /nfs/dbraw/zinc/15/00/22/1131150022.db2.gz ZAMKHHIQLHNVSL-UHFFFAOYSA-N 0 1 251.345 3.600 20 0 CHADMN CCCOc1cc(F)ccc1CN1CCCC12CC2 ZINC001237903439 1131150305 /nfs/dbraw/zinc/15/03/05/1131150305.db2.gz JUAYAGUGXDXWIT-UHFFFAOYSA-N 0 1 263.356 3.743 20 0 CHADMN Cc1ccc(NC(=O)c2ccc3cncn3c2C)c(Cl)c1 ZINC001116499373 1131151101 /nfs/dbraw/zinc/15/11/01/1131151101.db2.gz HLCDSWNDOGUONE-UHFFFAOYSA-N 0 1 299.761 3.857 20 0 CHADMN Cc1sccc1C[N@@H+](C)CCCC(=O)c1cccnc1 ZINC001237969538 1131156633 /nfs/dbraw/zinc/15/66/33/1131156633.db2.gz BAKUQBPWQUVYCQ-UHFFFAOYSA-N 0 1 288.416 3.546 20 0 CHADMN Cc1sccc1C[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001237969952 1131156676 /nfs/dbraw/zinc/15/66/76/1131156676.db2.gz CVONRWWJMDZLGD-MRXNPFEDSA-N 0 1 291.391 3.849 20 0 CHADMN C[C@@H]1CCCN(Cc2csc(-c3ccc(O)cc3)n2)C1 ZINC001237977173 1131156804 /nfs/dbraw/zinc/15/68/04/1131156804.db2.gz FNGCQBKMYDIXIG-GFCCVEGCSA-N 0 1 288.416 3.748 20 0 CHADMN C[C@@H]1CCCCC[N@H+]1Cc1cc(F)c([O-])c(Cl)c1 ZINC001237988322 1131157547 /nfs/dbraw/zinc/15/75/47/1131157547.db2.gz GOFLYJJDOMCGRR-SNVBAGLBSA-N 0 1 271.763 3.949 20 0 CHADMN C[C@H]1CCCCC[N@H+]1Cc1cc(F)c([O-])c(Cl)c1 ZINC001237988319 1131158280 /nfs/dbraw/zinc/15/82/80/1131158280.db2.gz GOFLYJJDOMCGRR-JTQLQIEISA-N 0 1 271.763 3.949 20 0 CHADMN CCc1nc[nH]c1C(=O)Nc1ccccc1SC(F)F ZINC001135896908 1131158479 /nfs/dbraw/zinc/15/84/79/1131158479.db2.gz KLJBXPDFYCNHBO-UHFFFAOYSA-N 0 1 297.330 3.539 20 0 CHADMN c1cc(CNCc2cccc3c2OCCO3)cc(C2CC2)c1 ZINC000817406813 1131159459 /nfs/dbraw/zinc/15/94/59/1131159459.db2.gz YGRXYWMHKZGWFO-UHFFFAOYSA-N 0 1 295.382 3.625 20 0 CHADMN Oc1c(F)cc(CN2Cc3ccc(F)cc3C2)cc1Cl ZINC001237996913 1131159523 /nfs/dbraw/zinc/15/95/23/1131159523.db2.gz JLQLFHBRTXNLES-UHFFFAOYSA-N 0 1 295.716 3.840 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cc(F)c([O-])c(Cl)c2)[C@H](C)C1 ZINC001237994546 1131159537 /nfs/dbraw/zinc/15/95/37/1131159537.db2.gz FBGXVXMCNLWVIY-NXEZZACHSA-N 0 1 271.763 3.805 20 0 CHADMN CCC1(CC)CCN(C(=O)c2cnc(C(C)C)[nH]2)CC1 ZINC001116687573 1131160335 /nfs/dbraw/zinc/16/03/35/1131160335.db2.gz FJLIHCKJZYOLFI-UHFFFAOYSA-N 0 1 277.412 3.576 20 0 CHADMN CCCCCN(C)Cc1cc(C2CC2)cnc1OC ZINC001238033742 1131163607 /nfs/dbraw/zinc/16/36/07/1131163607.db2.gz RZWGJVKTMQSMKA-UHFFFAOYSA-N 0 1 262.397 3.590 20 0 CHADMN CC(C)c1ncc(C(=O)N(C)[C@@H](C)C2CCCCC2)[nH]1 ZINC001116824310 1131165397 /nfs/dbraw/zinc/16/53/97/1131165397.db2.gz SGDOLBCTPHKHPJ-LBPRGKRZSA-N 0 1 277.412 3.574 20 0 CHADMN CCOc1cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)ccc1C ZINC001238072340 1131168443 /nfs/dbraw/zinc/16/84/43/1131168443.db2.gz SHEQSXKJAGJTEF-OAHLLOKOSA-N 0 1 281.346 3.625 20 0 CHADMN CCOc1cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)ccc1C ZINC001238072339 1131168636 /nfs/dbraw/zinc/16/86/36/1131168636.db2.gz SHEQSXKJAGJTEF-HNNXBMFYSA-N 0 1 281.346 3.625 20 0 CHADMN Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc(C)c1Cl ZINC001238098272 1131170714 /nfs/dbraw/zinc/17/07/14/1131170714.db2.gz XCDMRUXHNUDAPB-IHRRRGAJSA-N 0 1 267.775 3.889 20 0 CHADMN C[C@@H](O)c1ccc(CN[C@H](C)c2ccncc2Cl)cc1 ZINC000817573175 1131170800 /nfs/dbraw/zinc/17/08/00/1131170800.db2.gz BXOUCEFQUUUINP-VXGBXAGGSA-N 0 1 290.794 3.639 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2C)cc1 ZINC001238146303 1131174096 /nfs/dbraw/zinc/17/40/96/1131174096.db2.gz VECYUPVAOLZVSA-UHFFFAOYSA-N 0 1 297.398 3.888 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@H+](C)[C@H]1CC[C@H](C)CC1 ZINC001238143706 1131174470 /nfs/dbraw/zinc/17/44/70/1131174470.db2.gz PXUYYBXMULMWJY-YGUOUDRMSA-N 0 1 275.392 3.704 20 0 CHADMN CN(Cc1cccc(O)c1)Cc1cc(Cl)c(O)cc1F ZINC001238143605 1131174761 /nfs/dbraw/zinc/17/47/61/1131174761.db2.gz OOVKNNDEUHSPCW-UHFFFAOYSA-N 0 1 295.741 3.522 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)cc1Cl ZINC001238145069 1131175219 /nfs/dbraw/zinc/17/52/19/1131175219.db2.gz BWAOMUWNYHEKRV-GHMZBOCLSA-N 0 1 283.774 3.807 20 0 CHADMN [O-]c1cc(Nc2ccc([C@H]3CCC[NH2+]3)cc2)cc(F)c1F ZINC001159670830 1131177432 /nfs/dbraw/zinc/17/74/32/1131177432.db2.gz KCQIPBWYFRGBEF-CQSZACIVSA-N 0 1 290.313 3.839 20 0 CHADMN C[C@H](OC(=O)[C@H]1CC12CC2)c1nc2ccc(Cl)cc2[nH]1 ZINC000817716975 1131180918 /nfs/dbraw/zinc/18/09/18/1131180918.db2.gz SXMPMWAMBXTMQL-WCBMZHEXSA-N 0 1 290.750 3.621 20 0 CHADMN Clc1ncc(-c2cc3nc[nH]c3cn2)c(Cl)c1Cl ZINC001245803975 1131182353 /nfs/dbraw/zinc/18/23/53/1131182353.db2.gz KBGPWYGZDNWQEV-UHFFFAOYSA-N 0 1 299.548 3.980 20 0 CHADMN CC(C)CN(Cc1c(F)ccnc1Cl)CC(C)C ZINC001238225767 1131185061 /nfs/dbraw/zinc/18/50/61/1131185061.db2.gz NURNJUIVFQTNEP-UHFFFAOYSA-N 0 1 272.795 3.988 20 0 CHADMN C[C@H]1CCN1Cc1ccc(O)c(OCc2ccccc2)c1 ZINC001238250196 1131186811 /nfs/dbraw/zinc/18/68/11/1131186811.db2.gz QINMYZIDWIMVDA-AWEZNQCLSA-N 0 1 283.371 3.565 20 0 CHADMN CC[C@H](C)N(C)Cc1c(F)ccc(Cl)c1OC ZINC001238337727 1131191556 /nfs/dbraw/zinc/19/15/56/1131191556.db2.gz FVXVQCATMQJXCL-VIFPVBQESA-N 0 1 259.752 3.718 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CC[C@]2(CC2(F)F)C1 ZINC001238330851 1131191882 /nfs/dbraw/zinc/19/18/82/1131191882.db2.gz YFTAQNGQFLJEGZ-HNNXBMFYSA-N 0 1 299.336 3.844 20 0 CHADMN CC[C@@H]1CCN(Cc2c(F)ccc(Cl)c2OC)C1 ZINC001238350225 1131192110 /nfs/dbraw/zinc/19/21/10/1131192110.db2.gz UWYAHLBFPCXNAM-SNVBAGLBSA-N 0 1 271.763 3.720 20 0 CHADMN COc1c(Cl)ccc(F)c1CN(C)C[C@H]1CC1(C)C ZINC001238345487 1131192945 /nfs/dbraw/zinc/19/29/45/1131192945.db2.gz KGVNHGCRXDAPSJ-SNVBAGLBSA-N 0 1 285.790 3.966 20 0 CHADMN COc1c(Cl)ccc(F)c1CN(C)C[C@@H]1CC1(C)C ZINC001238345482 1131193190 /nfs/dbraw/zinc/19/31/90/1131193190.db2.gz KGVNHGCRXDAPSJ-JTQLQIEISA-N 0 1 285.790 3.966 20 0 CHADMN Cc1cccc(F)c1CNCc1cccn1C1CC1 ZINC001117743428 1131194692 /nfs/dbraw/zinc/19/46/92/1131194692.db2.gz FPKKRVGAILWDJQ-UHFFFAOYSA-N 0 1 258.340 3.560 20 0 CHADMN C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1cccn1C1CC1 ZINC001117744343 1131195292 /nfs/dbraw/zinc/19/52/92/1131195292.db2.gz FPVMJFZKUQTWLV-RYUDHWBXSA-N 0 1 286.341 3.986 20 0 CHADMN Cc1cc(CN2CC[C@H](C)C[C@@H]2C)ncc1Cl ZINC001238418058 1131197365 /nfs/dbraw/zinc/19/73/65/1131197365.db2.gz JDIRXJHEOOHYHB-JQWIXIFHSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1cc(CN(C)CCOc2ccccc2)ncc1Cl ZINC001238420562 1131197904 /nfs/dbraw/zinc/19/79/04/1131197904.db2.gz POJDFYHPYDCUHT-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN CC(C)c1ncc(C(=O)N2CC3(CCCC3)[C@@H]2C(C)C)[nH]1 ZINC001117799997 1131201260 /nfs/dbraw/zinc/20/12/60/1131201260.db2.gz GVIHPDGBRWPJBQ-AWEZNQCLSA-N 0 1 289.423 3.574 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1cnc(F)c(OC)c1 ZINC001238452099 1131202055 /nfs/dbraw/zinc/20/20/55/1131202055.db2.gz VMNXJJRNKXPWMM-HNNXBMFYSA-N 0 1 288.366 3.812 20 0 CHADMN CC(C)Oc1cncc(CN2C3CCCC2CCC3)c1 ZINC001238466010 1131204252 /nfs/dbraw/zinc/20/42/52/1131204252.db2.gz SJFRTVZRQMDQDM-UHFFFAOYSA-N 0 1 274.408 3.776 20 0 CHADMN CCOc1cc(CN2CC3CC(C3)C2)cc(C(F)(F)F)c1 ZINC001238492210 1131209527 /nfs/dbraw/zinc/20/95/27/1131209527.db2.gz MKDKJEFWXKHRQF-UHFFFAOYSA-N 0 1 299.336 3.946 20 0 CHADMN CCO[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C3CC3)c2)C1 ZINC001238502029 1131210640 /nfs/dbraw/zinc/21/06/40/1131210640.db2.gz REFOYVHHUNIUCT-OAHLLOKOSA-N 0 1 277.383 3.704 20 0 CHADMN C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccc(F)c(C3CC3)c2)C1 ZINC001238499968 1131210692 /nfs/dbraw/zinc/21/06/92/1131210692.db2.gz XVVLDSZLQLVWPU-FZMZJTMJSA-N 0 1 265.347 3.883 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2ccc(F)c(C3CC3)c2)C1 ZINC001238499968 1131210694 /nfs/dbraw/zinc/21/06/94/1131210694.db2.gz XVVLDSZLQLVWPU-FZMZJTMJSA-N 0 1 265.347 3.883 20 0 CHADMN Cc1c(Cl)ccc(CN2CCC[C@@](C)(O)CC2)c1F ZINC001238512313 1131210973 /nfs/dbraw/zinc/21/09/73/1131210973.db2.gz MLCGURDCAYEDEE-OAHLLOKOSA-N 0 1 285.790 3.524 20 0 CHADMN FC(F)(F)c1cccc(-c2ccc(CN3CCC3)cn2)c1 ZINC001238510273 1131211099 /nfs/dbraw/zinc/21/10/99/1131211099.db2.gz ZLPBVOVBKIWQJK-UHFFFAOYSA-N 0 1 292.304 3.973 20 0 CHADMN Cc1c(Cl)ccc(CN2CCC3(CCO3)CC2)c1F ZINC001238517990 1131212334 /nfs/dbraw/zinc/21/23/34/1131212334.db2.gz MXFUKVCGIVSYNJ-UHFFFAOYSA-N 0 1 283.774 3.542 20 0 CHADMN Cc1c(Cl)ccc(CN2C[C@H]3CCCC(=O)[C@@H]3C2)c1F ZINC001238521613 1131213249 /nfs/dbraw/zinc/21/32/49/1131213249.db2.gz LOQAGRVKGLVZPZ-DGCLKSJQSA-N 0 1 295.785 3.589 20 0 CHADMN Fc1ccc(CN2CC3(CCC3)C2)cc1-c1ccncc1 ZINC001238552833 1131215216 /nfs/dbraw/zinc/21/52/16/1131215216.db2.gz UASRGFQWNDBKDZ-UHFFFAOYSA-N 0 1 282.362 3.874 20 0 CHADMN FC[C@H]1CCCN1Cc1ccc(F)c(-c2ccncc2)c1 ZINC001238561925 1131216434 /nfs/dbraw/zinc/21/64/34/1131216434.db2.gz ZAGSFESAQJSKRL-OAHLLOKOSA-N 0 1 288.341 3.822 20 0 CHADMN CC(=O)c1ccc(CN2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC001118290707 1131217247 /nfs/dbraw/zinc/21/72/47/1131217247.db2.gz IMMRRSFLBYKJCO-OAHLLOKOSA-N 0 1 279.330 3.510 20 0 CHADMN Cc1cc(F)cc(Br)c1CN(C)CC1CC1 ZINC001238567458 1131217478 /nfs/dbraw/zinc/21/74/78/1131217478.db2.gz UBRYOPNVYVJWDV-UHFFFAOYSA-N 0 1 286.188 3.738 20 0 CHADMN CCCCCN(C)Cc1c(F)cc(C)cc1OC ZINC001238583510 1131218706 /nfs/dbraw/zinc/21/87/06/1131218706.db2.gz JKMZFYLIAILIIC-UHFFFAOYSA-N 0 1 253.361 3.765 20 0 CHADMN CC(C)Oc1cc(CN2CCC(C(C)C)CC2)cnc1F ZINC001238593945 1131220201 /nfs/dbraw/zinc/22/02/01/1131220201.db2.gz BBNJKYYILZVCKQ-UHFFFAOYSA-N 0 1 294.414 3.876 20 0 CHADMN CC(C)Oc1cc(CN2CCCC3(CCC3)C2)cnc1F ZINC001238596743 1131220235 /nfs/dbraw/zinc/22/02/35/1131220235.db2.gz XRJUBKOOMGPSPW-UHFFFAOYSA-N 0 1 292.398 3.774 20 0 CHADMN Cc1cc(CNc2ccc(OCCC(C)C)cc2F)n[nH]1 ZINC001118389396 1131222162 /nfs/dbraw/zinc/22/21/62/1131222162.db2.gz MWOGFMLXXVFYLP-UHFFFAOYSA-N 0 1 291.370 3.894 20 0 CHADMN CCCn1nccc1CNCc1cccc(C(F)F)c1 ZINC001118419941 1131224324 /nfs/dbraw/zinc/22/43/24/1131224324.db2.gz ITPGRMICKDEYHL-UHFFFAOYSA-N 0 1 279.334 3.521 20 0 CHADMN Fc1ncc(-c2ccccc2)cc1CN1CCCCC1 ZINC001238654694 1131226473 /nfs/dbraw/zinc/22/64/73/1131226473.db2.gz CDAPJBWTCAJDCD-UHFFFAOYSA-N 0 1 270.351 3.874 20 0 CHADMN Cc1cc(CN2Cc3ccccc3C3(CCC3)C2)nc(C)n1 ZINC001118497775 1131230071 /nfs/dbraw/zinc/23/00/71/1131230071.db2.gz ZFGBESFFJMINPO-UHFFFAOYSA-N 0 1 293.414 3.531 20 0 CHADMN Cc1ccc2oc(-c3noc([C@H]4CCCCN4)n3)cc2c1 ZINC000823135914 1131416390 /nfs/dbraw/zinc/41/63/90/1131416390.db2.gz ZXWCYKLCKWHATR-GFCCVEGCSA-N 0 1 283.331 3.606 20 0 CHADMN C[N@H+](Cc1scnc1Cl)CC1CCCCC1 ZINC001137823788 1131419633 /nfs/dbraw/zinc/41/96/33/1131419633.db2.gz QVCLIYWDSVWKFF-UHFFFAOYSA-N 0 1 258.818 3.809 20 0 CHADMN CN(Cc1scnc1Cl)CC1CCCCC1 ZINC001137823788 1131419634 /nfs/dbraw/zinc/41/96/34/1131419634.db2.gz QVCLIYWDSVWKFF-UHFFFAOYSA-N 0 1 258.818 3.809 20 0 CHADMN Clc1ncsc1CN1CCC2(CCCC2)CC1 ZINC001137818815 1131419718 /nfs/dbraw/zinc/41/97/18/1131419718.db2.gz YORQAPCGSAETIO-UHFFFAOYSA-N 0 1 270.829 3.953 20 0 CHADMN CC(F)(F)c1cccc(-c2noc([C@@H]3CCCCN3)n2)c1 ZINC000823280178 1131420514 /nfs/dbraw/zinc/42/05/14/1131420514.db2.gz HQKQMMJPIVXMDL-LBPRGKRZSA-N 0 1 293.317 3.663 20 0 CHADMN CCOc1cccc(Nc2ccc3nc[nH]c3c2)c1F ZINC001160224177 1131422744 /nfs/dbraw/zinc/42/27/44/1131422744.db2.gz PRUVWZOXTMIPOF-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN CCC(CC)N(CCOC)Cc1ccnc(Cl)c1F ZINC000823408996 1131425654 /nfs/dbraw/zinc/42/56/54/1131425654.db2.gz SYEKRANBYJPDOD-UHFFFAOYSA-N 0 1 288.794 3.511 20 0 CHADMN Fc1cc(F)c(CN2CC[C@@H]3CCC[C@H]3C2)cc1F ZINC001137886104 1131430198 /nfs/dbraw/zinc/43/01/98/1131430198.db2.gz FAPKUMKQXQFENA-QWRGUYRKSA-N 0 1 269.310 3.726 20 0 CHADMN C[C@@H](NCc1cc(C2CC2)nn1C)c1ccc(Cl)cc1 ZINC000823584307 1131432512 /nfs/dbraw/zinc/43/25/12/1131432512.db2.gz GTLXJFWOGVLQPU-LLVKDONJSA-N 0 1 289.810 3.802 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccnc(Cl)c1F)CC2 ZINC000823807946 1131441527 /nfs/dbraw/zinc/44/15/27/1131441527.db2.gz UGGLPGRDYBXPKD-AWEZNQCLSA-N 0 1 290.769 3.960 20 0 CHADMN Cc1ccc(CN2CCC[C@](C)(F)CC2)c(F)c1F ZINC001137964659 1131443268 /nfs/dbraw/zinc/44/32/68/1131443268.db2.gz KAYJIMWADXESHV-HNNXBMFYSA-N 0 1 271.326 3.987 20 0 CHADMN CCN(C)c1ccccc1CNCc1cc2cccnc2o1 ZINC000823801622 1131443694 /nfs/dbraw/zinc/44/36/94/1131443694.db2.gz LAQAMJKKAHGHBD-UHFFFAOYSA-N 0 1 295.386 3.574 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171037817 1131447180 /nfs/dbraw/zinc/44/71/80/1131447180.db2.gz QMLRRNZLYLYNSK-RAIGVLPGSA-N 0 1 267.775 3.630 20 0 CHADMN CC[C@](C)(NCc1cc(F)ncc1F)c1ccccc1 ZINC000823887141 1131447326 /nfs/dbraw/zinc/44/73/26/1131447326.db2.gz CHBDNRPCMTVTGV-INIZCTEOSA-N 0 1 276.330 3.775 20 0 CHADMN O=C(C[C@H]1CC=CCC1)Nc1cccc2c1CN(C1CC1)C2 ZINC001137994694 1131448246 /nfs/dbraw/zinc/44/82/46/1131448246.db2.gz ZLRPTNDMIORBSQ-AWEZNQCLSA-N 0 1 296.414 3.850 20 0 CHADMN C[C@@H]1CCN([C@H]2CCc3c(Cl)cccc3C2)C[C@H]1F ZINC001171037149 1131448695 /nfs/dbraw/zinc/44/86/95/1131448695.db2.gz JWOGSTAFWKPANZ-PVXIVEMSSA-N 0 1 281.802 3.877 20 0 CHADMN Cc1ccc(CN2CCCC(=O)CC2)c2ccccc12 ZINC001138014647 1131450578 /nfs/dbraw/zinc/45/05/78/1131450578.db2.gz WIQLZGNFHDMILM-UHFFFAOYSA-N 0 1 267.372 3.703 20 0 CHADMN Cc1ccc(Cl)c(CN2CCCC23CC3)c1F ZINC001138030569 1131454900 /nfs/dbraw/zinc/45/49/00/1131454900.db2.gz KFZHRLQQBICTHP-UHFFFAOYSA-N 0 1 253.748 3.916 20 0 CHADMN C[C@@H](C(=O)OC(C)(C)C)N(CC1CC(C)(C)C1)C1CC1 ZINC001171046936 1131456431 /nfs/dbraw/zinc/45/64/31/1131456431.db2.gz AVYZQJUBGNVMPX-LBPRGKRZSA-N 0 1 281.440 3.617 20 0 CHADMN CC(C)[C@H](CC(F)(F)F)NCc1ccnc(Cl)c1F ZINC000824242209 1131460992 /nfs/dbraw/zinc/46/09/92/1131460992.db2.gz KGWDEXNZPUIFCQ-VIFPVBQESA-N 0 1 298.711 3.941 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2ccc3ncccc3c2)cn1 ZINC001138112617 1131467083 /nfs/dbraw/zinc/46/70/83/1131467083.db2.gz UEWAUMBMZVAYAV-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3ncccc3c2)cn1 ZINC001138112617 1131467085 /nfs/dbraw/zinc/46/70/85/1131467085.db2.gz UEWAUMBMZVAYAV-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1ccnc(Cl)c1F ZINC000824395416 1131467518 /nfs/dbraw/zinc/46/75/18/1131467518.db2.gz FVCQYPRTVPJTKZ-KOLCDFICSA-N 0 1 256.752 3.637 20 0 CHADMN Cc1ccc(F)c(CN2C[C@@H](C)CC23CC3)c1F ZINC001138120603 1131468574 /nfs/dbraw/zinc/46/85/74/1131468574.db2.gz ABZHROUQDVSFMP-JTQLQIEISA-N 0 1 251.320 3.648 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@H](C)[C@@H]2C)c1F ZINC001138118692 1131469098 /nfs/dbraw/zinc/46/90/98/1131469098.db2.gz PTZWHIVJVGXSFZ-JQWIXIFHSA-N 0 1 253.336 3.894 20 0 CHADMN Cc1ccc(F)c(CN2C[C@H](C)CC23CC3)c1F ZINC001138120604 1131469264 /nfs/dbraw/zinc/46/92/64/1131469264.db2.gz ABZHROUQDVSFMP-SNVBAGLBSA-N 0 1 251.320 3.648 20 0 CHADMN Clc1cc(Cl)c2c(c1)CC[C@@H](NCc1ncco1)C2 ZINC001171057838 1131469458 /nfs/dbraw/zinc/46/94/58/1131469458.db2.gz FSEPPRHCGZXIGS-LLVKDONJSA-N 0 1 297.185 3.629 20 0 CHADMN CN(CCc1cccc(Cl)c1)Cc1cn2ccccc2n1 ZINC001136880863 1131471265 /nfs/dbraw/zinc/47/12/65/1131471265.db2.gz KZTQVEIDZRNTNR-UHFFFAOYSA-N 0 1 299.805 3.662 20 0 CHADMN Fc1cc(F)c2c(c1)[C@H](NCc1ccoc1)CCC2 ZINC000824468715 1131472238 /nfs/dbraw/zinc/47/22/38/1131472238.db2.gz LZBQHHWGCYWEPB-OAHLLOKOSA-N 0 1 263.287 3.725 20 0 CHADMN Clc1ncccc1C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000830987852 1131473836 /nfs/dbraw/zinc/47/38/36/1131473836.db2.gz IQZGGWYBWONQGO-AWEZNQCLSA-N 0 1 264.800 3.890 20 0 CHADMN Cc1cccc2c1CCN(Cc1c(C3CCC3)cnn1C)C2 ZINC000824719545 1131480748 /nfs/dbraw/zinc/48/07/48/1131480748.db2.gz GCRUAVUUZSDGNY-UHFFFAOYSA-N 0 1 295.430 3.554 20 0 CHADMN CSC(C)(C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000831301008 1131483512 /nfs/dbraw/zinc/48/35/12/1131483512.db2.gz YZWYDMDOCLBDIL-UHFFFAOYSA-N 0 1 299.346 3.581 20 0 CHADMN C[C@@H]1CCN(Cc2nc3ccccc3s2)[C@@H](C)C1 ZINC001136955121 1131486642 /nfs/dbraw/zinc/48/66/42/1131486642.db2.gz WNVBTPZLWKOWES-NEPJUHHUSA-N 0 1 260.406 3.917 20 0 CHADMN CCN(c1ccc(N[C@@H]2CO[C@H](C3CC3)C2)cc1)C(C)C ZINC000824963371 1131491634 /nfs/dbraw/zinc/49/16/34/1131491634.db2.gz QEDRBZZVVVMYFM-WMZOPIPTSA-N 0 1 288.435 3.901 20 0 CHADMN CCN(Cc1ccc(Cl)cc1)Cc1cc(O)cc(O)c1 ZINC001138330844 1131492443 /nfs/dbraw/zinc/49/24/43/1131492443.db2.gz AUOSMWWUJPNTBI-UHFFFAOYSA-N 0 1 291.778 3.773 20 0 CHADMN Cc1c2ccccc2[nH]c1CN1CCC(F)(F)CC1 ZINC001138396774 1131498387 /nfs/dbraw/zinc/49/83/87/1131498387.db2.gz FGUVYTDVMXBJTO-UHFFFAOYSA-N 0 1 264.319 3.707 20 0 CHADMN Cc1ccc(NC(=O)Nc2c(O)cc(F)cc2F)cc1C ZINC001202826459 1131501279 /nfs/dbraw/zinc/50/12/79/1131501279.db2.gz CSKVFEVWEQMZJH-UHFFFAOYSA-N 0 1 292.285 3.931 20 0 CHADMN Cc1ccc2[nH]c(CN3CCCC[C@@H](F)C3)cc2c1 ZINC001138417803 1131501447 /nfs/dbraw/zinc/50/14/47/1131501447.db2.gz AYBKRWCSTSZVFE-CQSZACIVSA-N 0 1 260.356 3.800 20 0 CHADMN COc1ncc(CN2Cc3ccccc3[C@H](C)C2)cc1C ZINC001137000618 1131501628 /nfs/dbraw/zinc/50/16/28/1131501628.db2.gz YTPPTTONQKMCBN-CQSZACIVSA-N 0 1 282.387 3.518 20 0 CHADMN Cc1ccc2[nH]c(CN3CC4(C3)CCCC4)cc2c1 ZINC001138415380 1131501653 /nfs/dbraw/zinc/50/16/53/1131501653.db2.gz DEPYCSMJTACEMZ-UHFFFAOYSA-N 0 1 254.377 3.852 20 0 CHADMN COc1c(F)cc(CN2CCC[C@](C)(F)CC2)cc1F ZINC001138421150 1131502855 /nfs/dbraw/zinc/50/28/55/1131502855.db2.gz IGAJDEYPGCXEES-HNNXBMFYSA-N 0 1 287.325 3.688 20 0 CHADMN COc1c(F)cc(CN2CCC[C@H](C)[C@@H]2C)cc1F ZINC001138423948 1131503847 /nfs/dbraw/zinc/50/38/47/1131503847.db2.gz HPHYYDLOZUFZKF-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN FC(F)(F)c1cnc(CN2CCCC3(CCCC3)C2)[nH]1 ZINC001137012067 1131506842 /nfs/dbraw/zinc/50/68/42/1131506842.db2.gz PPMGHWZGTFUGJX-UHFFFAOYSA-N 0 1 287.329 3.585 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN2CCCC[C@@H](F)C2)cc1 ZINC001138446011 1131507064 /nfs/dbraw/zinc/50/70/64/1131507064.db2.gz BODKNEUINQUWHS-MRXNPFEDSA-N 0 1 287.382 3.709 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1ccc2c(c1)COC2 ZINC001137028613 1131509107 /nfs/dbraw/zinc/50/91/07/1131509107.db2.gz WBAWLGKDKVRFAV-CQSZACIVSA-N 0 1 297.398 3.918 20 0 CHADMN COc1ccc(C)cc1CN1CCc2cc(C)ccc2C1 ZINC001138489719 1131512539 /nfs/dbraw/zinc/51/25/39/1131512539.db2.gz YQHDALKFHJDAHS-UHFFFAOYSA-N 0 1 281.399 3.870 20 0 CHADMN Cc1ccc(CNCc2ccc(CO)o2)c2ccccc12 ZINC001202834405 1131513569 /nfs/dbraw/zinc/51/35/69/1131513569.db2.gz ZBMMDQIEGYOZLY-UHFFFAOYSA-N 0 1 281.355 3.523 20 0 CHADMN CCN(Cc1ccc2[nH]cnc2c1)Cc1ccccc1F ZINC001137047657 1131514765 /nfs/dbraw/zinc/51/47/65/1131514765.db2.gz DNFGGYISKRHNFV-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN CCN(Cc1ccc2nc[nH]c2c1)Cc1ccccc1F ZINC001137047657 1131514768 /nfs/dbraw/zinc/51/47/68/1131514768.db2.gz DNFGGYISKRHNFV-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN COc1ccc(CN2CCC[C@@H](C)C2)cc1C(F)(F)F ZINC001143629033 1131519232 /nfs/dbraw/zinc/51/92/32/1131519232.db2.gz PIEKHBQTUPTWGE-LLVKDONJSA-N 0 1 287.325 3.946 20 0 CHADMN COc1ccc(CN2CC[C@H](C)C2)cc1C(F)(F)F ZINC001143637032 1131520263 /nfs/dbraw/zinc/52/02/63/1131520263.db2.gz XBIXURYABSTEGD-JTQLQIEISA-N 0 1 273.298 3.556 20 0 CHADMN Cc1cnc(CN2CCCC[C@@H](C)C2)cc1Br ZINC001143648026 1131521598 /nfs/dbraw/zinc/52/15/98/1131521598.db2.gz QLJAZDXBSTVHHI-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN COc1cc(CN(C)C2CC(F)(F)C2)ccc1OC(C)C ZINC001138571823 1131522118 /nfs/dbraw/zinc/52/21/18/1131522118.db2.gz XWJFASHHIFMXAQ-UHFFFAOYSA-N 0 1 299.361 3.712 20 0 CHADMN CO[C@@H]1CCCN(Cc2cc(C)ccc2C(F)(F)F)C1 ZINC001143670062 1131523166 /nfs/dbraw/zinc/52/31/66/1131523166.db2.gz FWQXVKPMRWNNEU-CYBMUJFWSA-N 0 1 287.325 3.625 20 0 CHADMN Cc1cc(C)cc(NC(=O)Nc2ccc(F)c(F)c2O)c1 ZINC001202848035 1131528404 /nfs/dbraw/zinc/52/84/04/1131528404.db2.gz VYGFYELKDDZYEF-UHFFFAOYSA-N 0 1 292.285 3.931 20 0 CHADMN CCCn1ncc(CN2CC=C(c3ccccc3)CC2)c1C ZINC001138640376 1131530938 /nfs/dbraw/zinc/53/09/38/1131530938.db2.gz OVXSILQBJSUIFB-UHFFFAOYSA-N 0 1 295.430 3.891 20 0 CHADMN CCCn1ncc(CN(C)Cc2ccc(C)cc2)c1C ZINC001138638504 1131530987 /nfs/dbraw/zinc/53/09/87/1131530987.db2.gz VZFCUJQNVRNXMC-UHFFFAOYSA-N 0 1 271.408 3.542 20 0 CHADMN COC(=O)c1cccc([C@@H](C)Nc2nc(C)ccc2C)c1 ZINC001171101886 1131531617 /nfs/dbraw/zinc/53/16/17/1131531617.db2.gz IUSPXYLUYYZFJU-CYBMUJFWSA-N 0 1 284.359 3.658 20 0 CHADMN CCSc1ncc(CN2CC[C@@H](c3ccccc3)C2)cn1 ZINC001138649860 1131533353 /nfs/dbraw/zinc/53/33/53/1131533353.db2.gz LNAKMBTWSHVFDT-MRXNPFEDSA-N 0 1 299.443 3.578 20 0 CHADMN CC(=O)[C@H]1CCCN(Cc2c(Cl)[nH]c3ccccc32)C1 ZINC001138687521 1131536690 /nfs/dbraw/zinc/53/66/90/1131536690.db2.gz IFMMZZPLYHKDAZ-LBPRGKRZSA-N 0 1 290.794 3.622 20 0 CHADMN C[C@H](O)c1cccc(-c2ccc(CN(C)C)c(F)c2)c1 ZINC000844229926 1131539844 /nfs/dbraw/zinc/53/98/44/1131539844.db2.gz SZJCMKHIUVZIOF-LBPRGKRZSA-N 0 1 273.351 3.608 20 0 CHADMN CN(Cc1ccsc1)Cc1ccc2c(c1)CCCO2 ZINC001138716732 1131540795 /nfs/dbraw/zinc/54/07/95/1131540795.db2.gz VYHVTOWPPNHUEO-UHFFFAOYSA-N 0 1 273.401 3.705 20 0 CHADMN c1ccc([C@@H]2CC[N@@H+]2Cc2ccc3c(c2)CCCO3)cc1 ZINC001138719123 1131541827 /nfs/dbraw/zinc/54/18/27/1131541827.db2.gz RBVDLYLUWJLYRV-SFHVURJKSA-N 0 1 279.383 3.959 20 0 CHADMN c1ccc([C@@H]2CCN2Cc2ccc3c(c2)CCCO3)cc1 ZINC001138719123 1131541829 /nfs/dbraw/zinc/54/18/29/1131541829.db2.gz RBVDLYLUWJLYRV-SFHVURJKSA-N 0 1 279.383 3.959 20 0 CHADMN CC[C@@H]1CCCN1Cc1cc(Cl)cc(OC)c1OC ZINC001138745970 1131545392 /nfs/dbraw/zinc/54/53/92/1131545392.db2.gz BBFLWRHGIVFHML-CYBMUJFWSA-N 0 1 283.799 3.732 20 0 CHADMN O[C@@H](CN1CCC12CCCC2)c1ccc(F)cc1Cl ZINC000844276369 1131545688 /nfs/dbraw/zinc/54/56/88/1131545688.db2.gz QCKYGTIZNCHXRO-AWEZNQCLSA-N 0 1 283.774 3.531 20 0 CHADMN CC[C@@](C)(NCc1cc2n(n1)CCCC2)c1ccccc1 ZINC000844311995 1131546535 /nfs/dbraw/zinc/54/65/35/1131546535.db2.gz HVIYIUMFRXSCQO-GOSISDBHSA-N 0 1 283.419 3.634 20 0 CHADMN COc1ccc(Cl)c(CN2C[C@@H]3CCC[C@H]3C2)c1F ZINC001143886261 1131548634 /nfs/dbraw/zinc/54/86/34/1131548634.db2.gz KWIKHYFKXNISFL-QWRGUYRKSA-N 0 1 283.774 3.720 20 0 CHADMN Cc1ccc([C@@H](O)CN2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000832231862 1131548838 /nfs/dbraw/zinc/54/88/38/1131548838.db2.gz NJXBDSXAPCAMEF-WMZOPIPTSA-N 0 1 297.398 3.849 20 0 CHADMN COc1ccc(CN2CCC[C@H]3CCC[C@H]32)c(F)c1F ZINC001143915115 1131553532 /nfs/dbraw/zinc/55/35/32/1131553532.db2.gz VBJXAMCWZQXTLK-DGCLKSJQSA-N 0 1 281.346 3.738 20 0 CHADMN F[C@H]1CN(Cc2c[nH]c3c2cccc3Cl)C[C@@H]2C[C@@H]21 ZINC001138832637 1131553813 /nfs/dbraw/zinc/55/38/13/1131553813.db2.gz KDDFMNMKVJZDCD-WFBYXXMGSA-N 0 1 278.758 3.611 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2cc(C)cc(C)c2)nn1C ZINC001138831567 1131553945 /nfs/dbraw/zinc/55/39/45/1131553945.db2.gz LMQLZTNXIAZXKC-SFHVURJKSA-N 0 1 283.419 3.682 20 0 CHADMN CN(Cc1c[nH]c2c1cccc2Cl)Cc1cccnc1 ZINC001138830816 1131554277 /nfs/dbraw/zinc/55/42/77/1131554277.db2.gz VIWQYSYNGHNSBS-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CCC[C@H]1CCCC[C@H]1NC(=O)c1cc(F)cc(F)c1O ZINC001143917608 1131554420 /nfs/dbraw/zinc/55/44/20/1131554420.db2.gz JGWBAYQFUSXUPI-IINYFYTJSA-N 0 1 297.345 3.759 20 0 CHADMN CCOc1ccc(F)c(CN2CCC[C@H](C)[C@H]2C)c1F ZINC001143937356 1131555912 /nfs/dbraw/zinc/55/59/12/1131555912.db2.gz KSSXJLGPQALYNW-NWDGAFQWSA-N 0 1 283.362 3.984 20 0 CHADMN CCOc1ccc(F)c(CN2CCCC[C@@H](C)C2)c1F ZINC001143930334 1131557601 /nfs/dbraw/zinc/55/76/01/1131557601.db2.gz GXDSVPBKLFODEE-GFCCVEGCSA-N 0 1 283.362 3.986 20 0 CHADMN CCCN(Cc1cc(F)cnc1Cl)CC(C)C ZINC001138896516 1131559085 /nfs/dbraw/zinc/55/90/85/1131559085.db2.gz COENQVLIUZZJHQ-UHFFFAOYSA-N 0 1 258.768 3.742 20 0 CHADMN C[C@@H]1CN(Cc2c3cc[nH]c3ncc2Cl)CCC1(F)F ZINC001138947085 1131563477 /nfs/dbraw/zinc/56/34/77/1131563477.db2.gz NYPOTNYPIYXQRA-SECBINFHSA-N 0 1 299.752 3.645 20 0 CHADMN C[N@H+](Cc1c2cc[nH]c2ncc1Cl)CC1CC(F)(F)C1 ZINC001138951497 1131564173 /nfs/dbraw/zinc/56/41/73/1131564173.db2.gz CFWFYIVZHSGIGU-UHFFFAOYSA-N 0 1 299.752 3.645 20 0 CHADMN COC1CCN(Cc2cc(Cl)ccc2OC(C)C)CC1 ZINC001138957654 1131564407 /nfs/dbraw/zinc/56/44/07/1131564407.db2.gz IVHHAZYXSLAIGG-UHFFFAOYSA-N 0 1 297.826 3.738 20 0 CHADMN CC(C)Oc1ccc(Cl)cc1CN1CC[C@H](C)C1 ZINC001138958799 1131564517 /nfs/dbraw/zinc/56/45/17/1131564517.db2.gz MJZGTKRVMUPWAM-LBPRGKRZSA-N 0 1 267.800 3.969 20 0 CHADMN CCOc1ccc(CN2CC3(C2)CCCC3)cc1OCC ZINC001138972601 1131567689 /nfs/dbraw/zinc/56/76/89/1131567689.db2.gz SHXAWYLNLLBTBG-UHFFFAOYSA-N 0 1 289.419 3.860 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2Oc2ccccc2)CCN1C ZINC001139054906 1131576855 /nfs/dbraw/zinc/57/68/55/1131576855.db2.gz GZZAKAVRYCSJGP-MRXNPFEDSA-N 0 1 296.414 3.615 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1cc3ccccc3o1)C2 ZINC001139061697 1131578624 /nfs/dbraw/zinc/57/86/24/1131578624.db2.gz NNJCKCFGUAKTBN-UHFFFAOYSA-N 0 1 293.366 4.000 20 0 CHADMN Clc1cc(CN2CCC23CCCCC3)cc2c1OCO2 ZINC001139073039 1131579851 /nfs/dbraw/zinc/57/98/51/1131579851.db2.gz XFTNXRRJAFRDLJ-UHFFFAOYSA-N 0 1 293.794 3.977 20 0 CHADMN CCO[C@@H]1CCCC[C@H]1N[C@H](C)c1c(F)cccc1F ZINC001171134470 1131581648 /nfs/dbraw/zinc/58/16/48/1131581648.db2.gz ZVNZELGRAGMREN-KCPJHIHWSA-N 0 1 283.362 3.963 20 0 CHADMN Cc1n[nH]c(C)c1CN(Cc1cccc(C)c1C)C1CC1 ZINC001139103133 1131582634 /nfs/dbraw/zinc/58/26/34/1131582634.db2.gz XLJLJHBFOFLGPQ-UHFFFAOYSA-N 0 1 283.419 3.808 20 0 CHADMN CCn1ccc2ccc(CN3CCc4ncccc4C3)cc21 ZINC001139123099 1131582838 /nfs/dbraw/zinc/58/28/38/1131582838.db2.gz RBUIANPUSKDORM-UHFFFAOYSA-N 0 1 291.398 3.615 20 0 CHADMN F[C@@]1(c2ccccc2)C[C@@H]1NCc1cccc2[nH]ccc21 ZINC001202900725 1131585837 /nfs/dbraw/zinc/58/58/37/1131585837.db2.gz BVDHFYZUFCMCAQ-ZWKOTPCHSA-N 0 1 280.346 3.895 20 0 CHADMN Cn1ccc2cc(CN3CCC(=O)[C@H]4CCCC[C@@H]43)ccc21 ZINC001139188963 1131592703 /nfs/dbraw/zinc/59/27/03/1131592703.db2.gz TXDHJLBDMHYVMS-WMZOPIPTSA-N 0 1 296.414 3.512 20 0 CHADMN Cc1cccc2[nH]cc(CN3CCC(=O)[C@@H]4CCCC[C@@H]43)c21 ZINC001139191936 1131593781 /nfs/dbraw/zinc/59/37/81/1131593781.db2.gz GMTYZPHTQZEMEH-WBVHZDCISA-N 0 1 296.414 3.810 20 0 CHADMN Cn1ccc2cc(CN(Cc3ccco3)C3CC3)ccc21 ZINC001139193152 1131594228 /nfs/dbraw/zinc/59/42/28/1131594228.db2.gz ZEGQSROYVOTIFF-UHFFFAOYSA-N 0 1 280.371 3.936 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(-n3cccc3)cc2)C[C@H]1F ZINC001144239084 1131603728 /nfs/dbraw/zinc/60/37/28/1131603728.db2.gz OQGSQDKBBRTTPU-RHSMWYFYSA-N 0 1 272.367 3.657 20 0 CHADMN CC1(C)CN(Cc2ccc(-c3ccccc3)nc2)C1 ZINC001139515364 1131611543 /nfs/dbraw/zinc/61/15/43/1131611543.db2.gz JJHAKSDTMOPSPS-UHFFFAOYSA-N 0 1 252.361 3.590 20 0 CHADMN CC[C@H]1CCCN1Cc1cccc(Br)c1F ZINC001139533272 1131613811 /nfs/dbraw/zinc/61/38/11/1131613811.db2.gz YJTLSIBOTQWVIM-NSHDSACASA-N 0 1 286.188 3.963 20 0 CHADMN Fc1ccc([C@H]2CCN(Cc3cc(Cl)ccn3)C2)cc1 ZINC001139566080 1131616267 /nfs/dbraw/zinc/61/62/67/1131616267.db2.gz PDIUXEHMJAOZDT-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN CC1(C)OCCC12CCN(Cc1cc(Cl)ccn1)CC2 ZINC001139564807 1131616867 /nfs/dbraw/zinc/61/68/67/1131616867.db2.gz HVVQVYJUSCHTIR-UHFFFAOYSA-N 0 1 294.826 3.516 20 0 CHADMN CN(CCc1ccccc1F)Cc1cc(Cl)ccn1 ZINC001139565278 1131616971 /nfs/dbraw/zinc/61/69/71/1131616971.db2.gz SWUWCORRQQHVFV-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN CCOc1ccc(CN2CCC(COC)CC2)cc1Cl ZINC001139593244 1131619735 /nfs/dbraw/zinc/61/97/35/1131619735.db2.gz NHNCRYKBZNMWLP-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN CCOc1ccc(C)cc1CN(C)C1CC(F)(F)C1 ZINC001139602901 1131620558 /nfs/dbraw/zinc/62/05/58/1131620558.db2.gz ZCYYLSVOWHBZCD-UHFFFAOYSA-N 0 1 269.335 3.623 20 0 CHADMN Cc1nc(CN2CCC3(CC[C@H](F)C3)CC2)sc1C ZINC001144378654 1131621666 /nfs/dbraw/zinc/62/16/66/1131621666.db2.gz WWGBWRJDXXLLOQ-ZDUSSCGKSA-N 0 1 282.428 3.864 20 0 CHADMN Oc1ccc(CN2C3CCC2CC3)c(C(F)(F)F)c1 ZINC001144385709 1131623360 /nfs/dbraw/zinc/62/33/60/1131623360.db2.gz GELUYINNTUJRQH-UHFFFAOYSA-N 0 1 271.282 3.538 20 0 CHADMN CCOc1ccncc1CN1CCC(C(C)(C)C)CC1 ZINC001139627595 1131625160 /nfs/dbraw/zinc/62/51/60/1131625160.db2.gz VPCVSZIKJTZWME-UHFFFAOYSA-N 0 1 276.424 3.738 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(-c3cccnc3)cc2)CCC1=O ZINC001139639465 1131625504 /nfs/dbraw/zinc/62/55/04/1131625504.db2.gz DQVINZQCSJQVLT-OAHLLOKOSA-N 0 1 294.398 3.550 20 0 CHADMN c1ccc([C@H]2CCN2Cc2cnc3cccnc3c2)cc1 ZINC001139742623 1131633323 /nfs/dbraw/zinc/63/33/23/1131633323.db2.gz FRHWYKKRWFSXQY-GOSISDBHSA-N 0 1 275.355 3.577 20 0 CHADMN c1ccc(CN(Cc2cnc3cccnc3c2)C2CC2)cc1 ZINC001139743334 1131635040 /nfs/dbraw/zinc/63/50/40/1131635040.db2.gz YPHAUHMORGCFFT-UHFFFAOYSA-N 0 1 289.382 3.794 20 0 CHADMN CN(Cc1ccccn1)Cc1ccccc1C(F)F ZINC001139796106 1131636498 /nfs/dbraw/zinc/63/64/98/1131636498.db2.gz PWFHLDJXVZQHER-UHFFFAOYSA-N 0 1 262.303 3.651 20 0 CHADMN Cc1ccc(CN2CCC(Oc3ccccc3C)CC2)nc1 ZINC001139837572 1131640378 /nfs/dbraw/zinc/64/03/78/1131640378.db2.gz JUJSBAKGPOYVJR-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN C[C@@H]1CN(Cc2cc3ccccc3n2C)CCC1(F)F ZINC001139868065 1131642811 /nfs/dbraw/zinc/64/28/11/1131642811.db2.gz GGYNRUCCJICSHK-GFCCVEGCSA-N 0 1 278.346 3.655 20 0 CHADMN CO[C@H]1CCCN(Cc2cc(C(F)(F)F)ccc2C)C1 ZINC001139883862 1131646519 /nfs/dbraw/zinc/64/65/19/1131646519.db2.gz LITFYUSYZUCONU-AWEZNQCLSA-N 0 1 287.325 3.625 20 0 CHADMN CCO[C@@H]1CCN(Cc2cc(C(F)(F)F)ccc2C)C1 ZINC001139886654 1131646583 /nfs/dbraw/zinc/64/65/83/1131646583.db2.gz HUPHNKXXERMKRT-CQSZACIVSA-N 0 1 287.325 3.625 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1ccc(F)c2ccccc12 ZINC001139889499 1131647308 /nfs/dbraw/zinc/64/73/08/1131647308.db2.gz GGMCIAJTHQAHDN-YPMHNXCESA-N 0 1 261.315 3.911 20 0 CHADMN CCN(Cc1cccnc1)Cc1cncc2ccccc21 ZINC001139894945 1131648455 /nfs/dbraw/zinc/64/84/55/1131648455.db2.gz LOOQFWZAWXUEBM-UHFFFAOYSA-N 0 1 277.371 3.652 20 0 CHADMN F[C@@H]1CCCCN(Cc2cncc3ccccc32)C1 ZINC001139893784 1131649095 /nfs/dbraw/zinc/64/90/95/1131649095.db2.gz JZZXSIPDFOIWMT-OAHLLOKOSA-N 0 1 258.340 3.559 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](OCc3ccccc3)C2)cn1 ZINC001139933058 1131650609 /nfs/dbraw/zinc/65/06/09/1131650609.db2.gz DTGVTUHZYYFZRY-LJQANCHMSA-N 0 1 296.414 3.571 20 0 CHADMN Cc1ccc(CN2CCC[C@H](OCc3ccccc3)C2)cn1 ZINC001139933057 1131650806 /nfs/dbraw/zinc/65/08/06/1131650806.db2.gz DTGVTUHZYYFZRY-IBGZPJMESA-N 0 1 296.414 3.571 20 0 CHADMN CCCCC1CCN(Cc2ccc(OC)nc2OC)CC1 ZINC001139922322 1131650895 /nfs/dbraw/zinc/65/08/95/1131650895.db2.gz QSSYBFYNRRMKAX-UHFFFAOYSA-N 0 1 292.423 3.501 20 0 CHADMN C[C@H]1C[N@@H+](Cc2c(F)cc([O-])cc2F)CCC[C@@H]1C ZINC001144541212 1131653407 /nfs/dbraw/zinc/65/34/07/1131653407.db2.gz DHJRXTCUKKZBBW-QWRGUYRKSA-N 0 1 269.335 3.538 20 0 CHADMN C[C@H]1C[N@H+](Cc2c(F)cc([O-])cc2F)CCC[C@@H]1C ZINC001144541212 1131653412 /nfs/dbraw/zinc/65/34/12/1131653412.db2.gz DHJRXTCUKKZBBW-QWRGUYRKSA-N 0 1 269.335 3.538 20 0 CHADMN C[C@H]1CCC[N@H+](Cc2c(F)cc([O-])cc2F)C[C@H]1C ZINC001144541213 1131653764 /nfs/dbraw/zinc/65/37/64/1131653764.db2.gz DHJRXTCUKKZBBW-WDEREUQCSA-N 0 1 269.335 3.538 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2c(F)cc([O-])cc2F)C[C@H]1C ZINC001144541213 1131653767 /nfs/dbraw/zinc/65/37/67/1131653767.db2.gz DHJRXTCUKKZBBW-WDEREUQCSA-N 0 1 269.335 3.538 20 0 CHADMN Clc1cccc(C2CCN(Cc3ccnnc3)CC2)c1 ZINC001139982008 1131653923 /nfs/dbraw/zinc/65/39/23/1131653923.db2.gz YAXKICFRBKAVKC-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN CC(C)N(Cc1ccccc1)Cc1cnc(Cl)nc1 ZINC001139987311 1131653962 /nfs/dbraw/zinc/65/39/62/1131653962.db2.gz NFFFZVNMSZDKQK-UHFFFAOYSA-N 0 1 275.783 3.541 20 0 CHADMN CC[N@@H+](Cc1ccc(C)cc1)Cc1ccnc(SC)n1 ZINC001140039380 1131658248 /nfs/dbraw/zinc/65/82/48/1131658248.db2.gz WZASHTNKBKPGJD-UHFFFAOYSA-N 0 1 287.432 3.529 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1ccnc(SC)n1 ZINC001140039380 1131658252 /nfs/dbraw/zinc/65/82/52/1131658252.db2.gz WZASHTNKBKPGJD-UHFFFAOYSA-N 0 1 287.432 3.529 20 0 CHADMN C[N@@H+](CCc1cccc(Cl)c1)Cc1cc(O)ccc1F ZINC001140048552 1131658850 /nfs/dbraw/zinc/65/88/50/1131658850.db2.gz JXZRAESPTAOKJG-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN CN(CCc1cccc(Cl)c1)Cc1cc(O)ccc1F ZINC001140048552 1131658851 /nfs/dbraw/zinc/65/88/51/1131658851.db2.gz JXZRAESPTAOKJG-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN O=C1CCN(Cc2cccc3cnccc32)[C@H]2CCCC[C@H]12 ZINC001140140805 1131666430 /nfs/dbraw/zinc/66/64/30/1131666430.db2.gz LRTOXFLTWMJVBH-ROUUACIJSA-N 0 1 294.398 3.568 20 0 CHADMN F[C@H]1CN(Cc2cccc3cnccc32)CCCC1(F)F ZINC001140142301 1131667588 /nfs/dbraw/zinc/66/75/88/1131667588.db2.gz DACUEUKESOGPAQ-HNNXBMFYSA-N 0 1 294.320 3.804 20 0 CHADMN CCN(Cc1ncn2ccccc12)Cc1ccc(C)cc1 ZINC001144627242 1131667896 /nfs/dbraw/zinc/66/78/96/1131667896.db2.gz KLQORRITQUCPGH-UHFFFAOYSA-N 0 1 279.387 3.665 20 0 CHADMN CN(Cc1ccc(-c2ccncc2)cc1)C1CC(F)(F)C1 ZINC001140168266 1131671560 /nfs/dbraw/zinc/67/15/60/1131671560.db2.gz WXNQKNYGCWLDQF-UHFFFAOYSA-N 0 1 288.341 3.978 20 0 CHADMN CCN(C)Cc1nc(Cl)ccc1NC(=O)OC(C)(C)C ZINC001140185051 1131674682 /nfs/dbraw/zinc/67/46/82/1131674682.db2.gz AFDIMHFPTYLLBS-UHFFFAOYSA-N 0 1 299.802 3.534 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1cc(F)c([O-])cc1F ZINC001144666725 1131676763 /nfs/dbraw/zinc/67/67/63/1131676763.db2.gz NLXRFWCXMJMHSD-LBPRGKRZSA-N 0 1 269.335 3.825 20 0 CHADMN O=C([O-])c1ccsc1C[N@H+]1CCCC2(CCCC2)C1 ZINC001144670415 1131677810 /nfs/dbraw/zinc/67/78/10/1131677810.db2.gz JAUMNWJXOXNPQT-UHFFFAOYSA-N 0 1 279.405 3.603 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCCC3(CC(F)C3)CC2)cc1F ZINC001144659490 1131679352 /nfs/dbraw/zinc/67/93/52/1131679352.db2.gz KNAVNGNNUFQPRN-UHFFFAOYSA-N 0 1 299.336 3.775 20 0 CHADMN Oc1cccc2[nH]cc(CN3CCC[C@@H]3c3ccccn3)c21 ZINC001140233166 1131679646 /nfs/dbraw/zinc/67/96/46/1131679646.db2.gz HXBWDQOWZHAXSE-MRXNPFEDSA-N 0 1 293.370 3.606 20 0 CHADMN CC[N@@H+](Cc1sccc1C(=O)[O-])Cc1ccc(C)cc1 ZINC001144680206 1131681518 /nfs/dbraw/zinc/68/15/18/1131681518.db2.gz MYJFIJPMFXIADL-UHFFFAOYSA-N 0 1 289.400 3.777 20 0 CHADMN C[N@@H+](Cc1sccc1C(=O)[O-])[C@H]1CCc2ccccc21 ZINC001144684758 1131683537 /nfs/dbraw/zinc/68/35/37/1131683537.db2.gz DMDYSFXMIIMDFU-AWEZNQCLSA-N 0 1 287.384 3.566 20 0 CHADMN [O-]c1cnccc1C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001140276366 1131687372 /nfs/dbraw/zinc/68/73/72/1131687372.db2.gz AWANWOCUPFBGAD-MRXNPFEDSA-N 0 1 282.387 3.557 20 0 CHADMN Cc1cc2cc(CN3C[C@H]4[C@@H](C3)C4(F)F)oc2cc1C ZINC000846111784 1131687448 /nfs/dbraw/zinc/68/74/48/1131687448.db2.gz NRXMHEBPVCWVCA-OKILXGFUSA-N 0 1 277.314 3.747 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000846110517 1131687806 /nfs/dbraw/zinc/68/78/06/1131687806.db2.gz HBXLHXDJARMLCY-BETUJISGSA-N 0 1 271.738 3.654 20 0 CHADMN FC1(F)[C@H]2CN(Cc3cccc(OC4CCCC4)c3)C[C@H]21 ZINC000846113534 1131688426 /nfs/dbraw/zinc/68/84/26/1131688426.db2.gz YJUQPLHSOLABAK-IYBDPMFKSA-N 0 1 293.357 3.705 20 0 CHADMN FC1(F)C[C@]12CCCN(Cc1cc3ccccc3[nH]1)C2 ZINC000846105046 1131690448 /nfs/dbraw/zinc/69/04/48/1131690448.db2.gz PNOVZEJCKMZADM-HNNXBMFYSA-N 0 1 276.330 3.789 20 0 CHADMN CN(Cc1cc(F)c(F)cc1Cl)C1CCCC1 ZINC001144725911 1131692061 /nfs/dbraw/zinc/69/20/61/1131692061.db2.gz AIFGVYYJIZNPMQ-UHFFFAOYSA-N 0 1 259.727 3.993 20 0 CHADMN CC1CC(N(C)Cc2cc(F)c(F)cc2Cl)C1 ZINC001144721723 1131694733 /nfs/dbraw/zinc/69/47/33/1131694733.db2.gz ABJVKYQXHZNSDI-UHFFFAOYSA-N 0 1 259.727 3.849 20 0 CHADMN Cc1ccc2[nH]nc(CN3CCC[C@H]4CCC[C@H]43)c2c1 ZINC001140330029 1131698872 /nfs/dbraw/zinc/69/88/72/1131698872.db2.gz JPEMPWZQPZLEMH-CXAGYDPISA-N 0 1 269.392 3.636 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCc4ccc(F)cc4C3)c2c1 ZINC001140330140 1131699076 /nfs/dbraw/zinc/69/90/76/1131699076.db2.gz NSEGTHFATGLJMB-UHFFFAOYSA-N 0 1 295.361 3.569 20 0 CHADMN Cc1ccc2n[nH]c(CN3CC[C@@H]3c3ccccc3)c2c1 ZINC001140330082 1131699212 /nfs/dbraw/zinc/69/92/12/1131699212.db2.gz LGFHHWAXCXFIPH-GOSISDBHSA-N 0 1 277.371 3.818 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCCC[C@H]3C(F)(F)F)c2c1 ZINC001140331174 1131699627 /nfs/dbraw/zinc/69/96/27/1131699627.db2.gz YXJDLTKLCKOMFN-AWEZNQCLSA-N 0 1 297.324 3.788 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCc4cc(C)ccc4C3)c2c1 ZINC001140332532 1131699952 /nfs/dbraw/zinc/69/99/52/1131699952.db2.gz YNKJAUJDDITNNH-UHFFFAOYSA-N 0 1 291.398 3.738 20 0 CHADMN Cc1ccc2n[nH]c(CN(C)Cc3ccccc3F)c2c1 ZINC001140331134 1131699990 /nfs/dbraw/zinc/69/99/90/1131699990.db2.gz XCOZCPAUDGNRAH-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCC[C@H]2CCC[C@@H]21 ZINC001144755734 1131702827 /nfs/dbraw/zinc/70/28/27/1131702827.db2.gz UXJKQYPASQUNFX-ABAIWWIYSA-N 0 1 281.346 3.738 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])cc1 ZINC000846281567 1131705308 /nfs/dbraw/zinc/70/53/08/1131705308.db2.gz ZSTUNMIHMIXPSC-YOEHRIQHSA-N 0 1 289.419 3.570 20 0 CHADMN O=C([O-])[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(C3CCC3)cc1)C2 ZINC000846283893 1131705582 /nfs/dbraw/zinc/70/55/82/1131705582.db2.gz KABLPAQFVMNRTP-IEBWSBKVSA-N 0 1 299.414 3.641 20 0 CHADMN CC(C)[C@H]1CN(Cc2ccc(-c3ccccn3)cc2)CCO1 ZINC001140381472 1131709954 /nfs/dbraw/zinc/70/99/54/1131709954.db2.gz BKGIZLPVFMVXNY-LJQANCHMSA-N 0 1 296.414 3.605 20 0 CHADMN C[C@H](N[C@H]1CCn2ccnc21)c1cc2c(s1)CCCC2 ZINC000834837825 1131710061 /nfs/dbraw/zinc/71/00/61/1131710061.db2.gz ZHLACVUAGDHZCT-AAEUAGOBSA-N 0 1 287.432 3.619 20 0 CHADMN C[C@H]1Cc2ccccc2[C@@H]1NCc1cc(F)cnc1Cl ZINC000834839943 1131711078 /nfs/dbraw/zinc/71/10/78/1131711078.db2.gz FZAKJOCPJVMWCY-ZUZCIYMTSA-N 0 1 290.769 3.897 20 0 CHADMN Fc1ccccc1-c1ncc(CN2CC3(C2)CCCC3)cn1 ZINC001140401194 1131714350 /nfs/dbraw/zinc/71/43/50/1131714350.db2.gz KPPOQKNNDNEXCW-UHFFFAOYSA-N 0 1 297.377 3.659 20 0 CHADMN CCCc1ccc(CNc2cc(OC)ccn2)cc1 ZINC000083416545 1131714517 /nfs/dbraw/zinc/71/45/17/1131714517.db2.gz FIYYTGIRZQTUTJ-UHFFFAOYSA-N 0 1 256.349 3.655 20 0 CHADMN CC[C@H](N[C@H](C)c1nccn1CC)c1ccc2c(c1)CCO2 ZINC000834892062 1131721041 /nfs/dbraw/zinc/72/10/41/1131721041.db2.gz AMPARGSSTQOPQW-CJNGLKHVSA-N 0 1 299.418 3.640 20 0 CHADMN CC[N@H+]1CCC[C@H](Oc2nc(-c3ccccc3)cs2)C1 ZINC001227690242 1131724000 /nfs/dbraw/zinc/72/40/00/1131724000.db2.gz JDMGCBOGYDRLRU-AWEZNQCLSA-N 0 1 288.416 3.673 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c2cccc(Cl)c12 ZINC001140432767 1131734967 /nfs/dbraw/zinc/73/49/67/1131734967.db2.gz HCRMECKLFOZKBS-TXEJJXNPSA-N 0 1 288.778 3.517 20 0 CHADMN F[C@H]1CN(Cc2c[nH]c3cccc(Cl)c23)C[C@@H]2C[C@@H]21 ZINC001140433205 1131735646 /nfs/dbraw/zinc/73/56/46/1131735646.db2.gz SJJGMUYFDHFKOG-GAFUQQFSSA-N 0 1 278.758 3.611 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1ccccc1-c1nccs1 ZINC001140449731 1131743785 /nfs/dbraw/zinc/74/37/85/1131743785.db2.gz WGPFAIXSMNCBSC-DGCLKSJQSA-N 0 1 276.380 3.742 20 0 CHADMN Fc1cc(CN[C@H](c2cccnc2)C2CC2)cnc1Cl ZINC000846851314 1131751550 /nfs/dbraw/zinc/75/15/50/1131751550.db2.gz QLQIVMGHNHDDLR-AWEZNQCLSA-N 0 1 291.757 3.510 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Cl)cc2Br)C1 ZINC001140482675 1131760898 /nfs/dbraw/zinc/76/08/98/1131760898.db2.gz STNXZALLOXUEHA-VIFPVBQESA-N 0 1 288.616 3.944 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC001140503569 1131771433 /nfs/dbraw/zinc/77/14/33/1131771433.db2.gz DCQXLTWFGQSQPF-KRWDZBQOSA-N 0 1 283.371 3.968 20 0 CHADMN CCCC1CCN(Cc2ccc(C(=O)OC)s2)CC1 ZINC001140523030 1131779566 /nfs/dbraw/zinc/77/95/66/1131779566.db2.gz CWCOFGQJKINUTF-UHFFFAOYSA-N 0 1 281.421 3.547 20 0 CHADMN Fc1cc(F)c(CN2CC3CCC(CC3)C2)c(F)c1 ZINC001140536262 1131782318 /nfs/dbraw/zinc/78/23/18/1131782318.db2.gz OVOVBIPBPDYWOY-UHFFFAOYSA-N 0 1 269.310 3.726 20 0 CHADMN Cc1nc2cccc(C(=O)NCC[C@H]3CCCC[C@@H]3C)c2[nH]1 ZINC001146708634 1131795388 /nfs/dbraw/zinc/79/53/88/1131795388.db2.gz HIAXOTWBWCNXTQ-GXTWGEPZSA-N 0 1 299.418 3.818 20 0 CHADMN Cc1cccc2nc(NC(=O)CC3=CCCCC3)[nH]c21 ZINC001146727359 1131797202 /nfs/dbraw/zinc/79/72/02/1131797202.db2.gz RPJGNCZUDLCPMU-UHFFFAOYSA-N 0 1 269.348 3.700 20 0 CHADMN CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(Cl)c(O)c1 ZINC001147859842 1131838425 /nfs/dbraw/zinc/83/84/25/1131838425.db2.gz BSCAHPLPIZEGJC-VHSXEESVSA-N 0 1 269.772 3.600 20 0 CHADMN CCC[N@H+]1CCCC[C@@H]1C(=O)NCCCCC1CCCC1 ZINC001148183602 1131845283 /nfs/dbraw/zinc/84/52/83/1131845283.db2.gz HGMAZYXAYGJVQE-QGZVFWFLSA-N 0 1 294.483 3.728 20 0 CHADMN CC(C)CC(CC(C)C)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000835458174 1131845854 /nfs/dbraw/zinc/84/58/54/1131845854.db2.gz NPWOEXCKJRZJKH-UHFFFAOYSA-N 0 1 295.427 3.680 20 0 CHADMN CC(C)CC(CC(C)C)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000835458174 1131845860 /nfs/dbraw/zinc/84/58/60/1131845860.db2.gz NPWOEXCKJRZJKH-UHFFFAOYSA-N 0 1 295.427 3.680 20 0 CHADMN CN(C)Cc1ccc(NC(=O)C[C@@H]2CC=CCC2)cc1F ZINC001148334304 1131850653 /nfs/dbraw/zinc/85/06/53/1131850653.db2.gz HMJYKGHFCHOKSI-CYBMUJFWSA-N 0 1 290.382 3.572 20 0 CHADMN Cc1nc2ccc(OC3CCC(F)(F)CC3)cc2[nH]1 ZINC001228326306 1131859592 /nfs/dbraw/zinc/85/95/92/1131859592.db2.gz GWBJRCQHOJOWLL-UHFFFAOYSA-N 0 1 266.291 3.828 20 0 CHADMN Cc1nc2ccc(O[C@H]3CCc4ccccc43)cc2[nH]1 ZINC001228327990 1131860391 /nfs/dbraw/zinc/86/03/91/1131860391.db2.gz YYNVRXCWAYNIKF-KRWDZBQOSA-N 0 1 264.328 3.938 20 0 CHADMN CCCCC[C@H]1CCCCN1C(=O)[C@@H]1CCN1C(C)(C)C ZINC001148506011 1131860581 /nfs/dbraw/zinc/86/05/81/1131860581.db2.gz RIFSDQIUJFLQRR-HOTGVXAUSA-N 0 1 294.483 3.821 20 0 CHADMN C[C@@H](NCc1ccc(F)cn1)c1ccc(Cl)cc1 ZINC000348094571 1131883638 /nfs/dbraw/zinc/88/36/38/1131883638.db2.gz YMSUVUNBEKCMQA-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN CCCC(=O)c1ccc(O[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC001228464270 1131888985 /nfs/dbraw/zinc/88/89/85/1131888985.db2.gz UGYHJMZLRZJYQV-MRXNPFEDSA-N 0 1 275.392 3.531 20 0 CHADMN COCCN(Cc1c(Cl)ncc2ccccc21)C(C)C ZINC001140721999 1131895226 /nfs/dbraw/zinc/89/52/26/1131895226.db2.gz IUWXRAZQRGALMC-UHFFFAOYSA-N 0 1 292.810 3.745 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1N ZINC001140718042 1131895321 /nfs/dbraw/zinc/89/53/21/1131895321.db2.gz RQHOZUNMMCJXEI-GFCCVEGCSA-N 0 1 286.806 3.869 20 0 CHADMN CSCCN(C)Cc1c(Cl)ncc2ccccc21 ZINC001140726039 1131897315 /nfs/dbraw/zinc/89/73/15/1131897315.db2.gz BARAGCXEYCOPAV-UHFFFAOYSA-N 0 1 280.824 3.683 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN1CCCC2(CCC2)C1 ZINC000348171404 1131899166 /nfs/dbraw/zinc/89/91/66/1131899166.db2.gz UKGAEWMOYCGYPE-UHFFFAOYSA-N 0 1 286.419 3.508 20 0 CHADMN CCC[C@H](C)[C@H](CC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507250 1131900347 /nfs/dbraw/zinc/90/03/47/1131900347.db2.gz KJLZANVFZRXFHY-IUCAKERBSA-N 0 1 282.775 3.600 20 0 CHADMN COc1cccc2c1CCN(Cc1ccc(F)cc1C)C2 ZINC001140780626 1131914144 /nfs/dbraw/zinc/91/41/44/1131914144.db2.gz GTGVYGILAMXJLT-UHFFFAOYSA-N 0 1 285.362 3.701 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@H](C)c1cncs1)CCC2 ZINC000773040378 1131927929 /nfs/dbraw/zinc/92/79/29/1131927929.db2.gz OOMQCGDRBAFOPG-IAQYHMDHSA-N 0 1 288.416 3.880 20 0 CHADMN CC[C@H](Oc1ccc2[nH]nnc2c1)c1ccccc1F ZINC001228662974 1131929326 /nfs/dbraw/zinc/92/93/26/1131929326.db2.gz PJJTXMHHUHQPMX-HNNXBMFYSA-N 0 1 271.295 3.627 20 0 CHADMN COc1ccc(CN[C@@H]2CSc3ccccc32)c(C)c1 ZINC000773060845 1131932865 /nfs/dbraw/zinc/93/28/65/1131932865.db2.gz UAANOOMAKFXHCC-MRXNPFEDSA-N 0 1 285.412 3.940 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H]2CCCc3c[nH]nc32)cc1F ZINC000773063974 1131934488 /nfs/dbraw/zinc/93/44/88/1131934488.db2.gz KXTBLENAHRSUAY-ABAIWWIYSA-N 0 1 273.355 3.585 20 0 CHADMN CCCCN(CC)Cc1c(F)cc(OC)cc1F ZINC001140823689 1131936935 /nfs/dbraw/zinc/93/69/35/1131936935.db2.gz NUKDLBIQBKXXCU-UHFFFAOYSA-N 0 1 257.324 3.595 20 0 CHADMN CC[C@@H](C)N1CCN(C(=O)[C@H](CC)CC2CCCC2)CC1 ZINC001140845552 1131943751 /nfs/dbraw/zinc/94/37/51/1131943751.db2.gz VVEKAONQURQOHX-NVXWUHKLSA-N 0 1 294.483 3.536 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1cc(C)cc(OC)c1 ZINC000773090874 1131944738 /nfs/dbraw/zinc/94/47/38/1131944738.db2.gz GKXYDKVEWJHADW-GFCCVEGCSA-N 0 1 288.391 3.713 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)N[C@@H](C)c1ccc[nH]1 ZINC000773117292 1131949734 /nfs/dbraw/zinc/94/97/34/1131949734.db2.gz ICJMRMCNSIEDTP-OLZOCXBDSA-N 0 1 258.365 3.744 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccc2ccccc2n1 ZINC000773119307 1131951287 /nfs/dbraw/zinc/95/12/87/1131951287.db2.gz OBXDZEXBACPSOX-QWHCGFSZSA-N 0 1 265.360 3.975 20 0 CHADMN COc1cc([C@H](C)N[C@@H](C)c2cncs2)ccc1F ZINC000773132646 1131953963 /nfs/dbraw/zinc/95/39/63/1131953963.db2.gz PQGGJMQHKZYZQD-UWVGGRQHSA-N 0 1 280.368 3.703 20 0 CHADMN Nc1cccc(F)c1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC001140873146 1131955059 /nfs/dbraw/zinc/95/50/59/1131955059.db2.gz VTQAABBIOLLDSN-QGZVFWFLSA-N 0 1 288.341 3.884 20 0 CHADMN CCN1CCC[C@H](Oc2c(Cl)ccc3cccnc32)C1 ZINC001228792879 1131957625 /nfs/dbraw/zinc/95/76/25/1131957625.db2.gz GLYQBWHBGKCLBZ-ZDUSSCGKSA-N 0 1 290.794 3.751 20 0 CHADMN Cc1nccnc1CN1CCC(Sc2ccccc2)CC1 ZINC001140938469 1131967837 /nfs/dbraw/zinc/96/78/37/1131967837.db2.gz STFBMYIEONTRST-UHFFFAOYSA-N 0 1 299.443 3.542 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccccc2Cl)n[nH]1 ZINC001203080880 1131968296 /nfs/dbraw/zinc/96/82/96/1131968296.db2.gz FZMUIRWIUGCZNG-LLVKDONJSA-N 0 1 263.772 3.565 20 0 CHADMN Cc1cc(OC(F)(F)F)ccc1CN1C[C@H](F)C[C@H]1C ZINC001140962124 1131972769 /nfs/dbraw/zinc/97/27/69/1131972769.db2.gz ADDACIUKLCOTCX-ZYHUDNBSSA-N 0 1 291.288 3.826 20 0 CHADMN c1cc(-c2ccccn2)sc1CN1CC2(CCC2)C1 ZINC001141002627 1131981577 /nfs/dbraw/zinc/98/15/77/1131981577.db2.gz DXRXTPYUZQHCGL-UHFFFAOYSA-N 0 1 270.401 3.796 20 0 CHADMN C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(-c2ccccn2)s1 ZINC001141002633 1131981820 /nfs/dbraw/zinc/98/18/20/1131981820.db2.gz FATLREYSIUUZQK-VXGBXAGGSA-N 0 1 276.380 3.742 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1ccc(-c2ccccn2)s1 ZINC001141002633 1131981826 /nfs/dbraw/zinc/98/18/26/1131981826.db2.gz FATLREYSIUUZQK-VXGBXAGGSA-N 0 1 276.380 3.742 20 0 CHADMN C[N@H+]1CCc2cc(O[C@@H]3CCc4cc(F)ccc43)ccc2C1 ZINC001228943656 1131983450 /nfs/dbraw/zinc/98/34/50/1131983450.db2.gz IEQKBEPYSUUICN-LJQANCHMSA-N 0 1 297.373 3.880 20 0 CHADMN C[N@H+]1CCc2cc(O[C@H]3CCc4cc(F)ccc43)ccc2C1 ZINC001228943653 1131983929 /nfs/dbraw/zinc/98/39/29/1131983929.db2.gz IEQKBEPYSUUICN-IBGZPJMESA-N 0 1 297.373 3.880 20 0 CHADMN C[C@@H](COc1ccc2c(c1)CC[N@H+](C)C2)Oc1ccccc1 ZINC001228943378 1131984198 /nfs/dbraw/zinc/98/41/98/1131984198.db2.gz GZNKENQKSVGQTE-HNNXBMFYSA-N 0 1 297.398 3.521 20 0 CHADMN Oc1cccc2ccc(CN3CC4(C3)CCCCC4)nc12 ZINC001141023949 1131987210 /nfs/dbraw/zinc/98/72/10/1131987210.db2.gz ABCYFFVMKBTWQQ-UHFFFAOYSA-N 0 1 282.387 3.707 20 0 CHADMN CCCC1CCC(Oc2nnc3c[nH]ccc2-3)CC1 ZINC001228988988 1131992113 /nfs/dbraw/zinc/99/21/13/1131992113.db2.gz CUMJVRUNDHJQFD-UHFFFAOYSA-N 0 1 259.353 3.696 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1ccn2ccnc2c1 ZINC001141046724 1131993242 /nfs/dbraw/zinc/99/32/42/1131993242.db2.gz MAPLONOMOJBJRT-CQSZACIVSA-N 0 1 295.386 3.536 20 0 CHADMN FC(F)(F)[C@H](Oc1nnc2c[nH]ccc1-2)c1ccccc1 ZINC001228991318 1131993817 /nfs/dbraw/zinc/99/38/17/1131993817.db2.gz XXUVQJABDBCXKU-GFCCVEGCSA-N 0 1 293.248 3.640 20 0 CHADMN CCN(CC)Cc1cc2cc(OC)ccc2nc1Cl ZINC001141062183 1132000604 /nfs/dbraw/zinc/00/06/04/1132000604.db2.gz YLPARGPDGRMVAV-UHFFFAOYSA-N 0 1 278.783 3.739 20 0 CHADMN C[C@@H](N[C@H]1CCCc2ccc(O)cc21)c1ccns1 ZINC000716052790 1132003753 /nfs/dbraw/zinc/00/37/53/1132003753.db2.gz CGYDOPCXUXFWQX-YGRLFVJLSA-N 0 1 274.389 3.577 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccns2)cc1OC ZINC000716055159 1132003773 /nfs/dbraw/zinc/00/37/73/1132003773.db2.gz OCUDDTWMBMOKGM-MNOVXSKESA-N 0 1 292.404 3.572 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccns1)c1ccc2c(c1)CCO2 ZINC000716047953 1132004102 /nfs/dbraw/zinc/00/41/02/1132004102.db2.gz NVGNLEFKVANBKE-BXUZGUMPSA-N 0 1 288.416 3.880 20 0 CHADMN CC[C@@H](CSC)N(C)Cn1ccc(-c2cccs2)n1 ZINC000773257048 1132012592 /nfs/dbraw/zinc/01/25/92/1132012592.db2.gz WQCZJBGPKUKEKU-LBPRGKRZSA-N 0 1 295.477 3.643 20 0 CHADMN Cc1ccc(C2=CCN(Cc3ccc(C)cn3)CC2)cc1 ZINC000773267762 1132016458 /nfs/dbraw/zinc/01/64/58/1132016458.db2.gz SOQXXENJYKUCNT-UHFFFAOYSA-N 0 1 278.399 3.988 20 0 CHADMN CC(C)(C)c1cccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001141102931 1132018520 /nfs/dbraw/zinc/01/85/20/1132018520.db2.gz VIBKXWFCFPVADG-CWRNSKLLSA-N 0 1 261.384 3.774 20 0 CHADMN CCC1(NC(=O)c2ccc(Cl)c(O)c2)CCCCC1 ZINC001141180533 1132036433 /nfs/dbraw/zinc/03/64/33/1132036433.db2.gz NOJJPLVSAZYMRO-UHFFFAOYSA-N 0 1 281.783 3.888 20 0 CHADMN CC(=O)CC(C)(C)Nc1cc(OCc2ccccc2)ccn1 ZINC001171496132 1132039418 /nfs/dbraw/zinc/03/94/18/1132039418.db2.gz WWAWTLQQWXTEDU-UHFFFAOYSA-N 0 1 298.386 3.830 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(=O)c3ccccc3)C2)c(F)c1 ZINC001141195299 1132039545 /nfs/dbraw/zinc/03/95/45/1132039545.db2.gz ILWRMOPLSNZDDX-QGZVFWFLSA-N 0 1 297.373 3.839 20 0 CHADMN Cc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c(F)c1 ZINC001141191449 1132039628 /nfs/dbraw/zinc/03/96/28/1132039628.db2.gz LCOMYLPMDHKBTP-NSHDSACASA-N 0 1 257.299 3.611 20 0 CHADMN Cc1ccc(CN2CCC(F)(F)[C@@H](C)C2)c(F)c1 ZINC001141191449 1132039634 /nfs/dbraw/zinc/03/96/34/1132039634.db2.gz LCOMYLPMDHKBTP-NSHDSACASA-N 0 1 257.299 3.611 20 0 CHADMN CCOC(=O)[C@H](NCC(CC)CC)C1CCCCCC1 ZINC001171613524 1132065106 /nfs/dbraw/zinc/06/51/06/1132065106.db2.gz LLOVSSKWUUSUHY-MRXNPFEDSA-N 0 1 283.456 3.914 20 0 CHADMN O=C(Cc1[nH]nc2ccccc21)OCCC1=CCCCC1 ZINC000837465653 1132077482 /nfs/dbraw/zinc/07/74/82/1132077482.db2.gz OCJSASZVCKQZQB-UHFFFAOYSA-N 0 1 284.359 3.539 20 0 CHADMN CC[C@@H]1CN(CCOc2cccc3ccccc32)[C@@H](C)CO1 ZINC001171705686 1132085151 /nfs/dbraw/zinc/08/51/51/1132085151.db2.gz DPYGLCRBKBTYEK-DOTOQJQBSA-N 0 1 299.414 3.718 20 0 CHADMN Cn1c(Br)ccc1CN1CCC[C@H]2CCC[C@H]21 ZINC001248776196 1132088798 /nfs/dbraw/zinc/08/87/98/1132088798.db2.gz KVJCTMYZNVRPFR-DGCLKSJQSA-N 0 1 297.240 3.552 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1cnc(Cl)cc1OC ZINC001141341280 1132094004 /nfs/dbraw/zinc/09/40/04/1132094004.db2.gz VTAOPSMZVCUNMH-CYBMUJFWSA-N 0 1 282.815 3.898 20 0 CHADMN F[C@H]1CCN(Cc2cccc(-c3ccsc3)c2)C1 ZINC001141377492 1132106324 /nfs/dbraw/zinc/10/63/24/1132106324.db2.gz QPZKYBCHAAKQLZ-HNNXBMFYSA-N 0 1 261.365 3.959 20 0 CHADMN CC(C)[C@H]1CN(C(=O)CCC2CCCCCC2)CCN1C ZINC001171883728 1132108792 /nfs/dbraw/zinc/10/87/92/1132108792.db2.gz OBVRWPUWVVWNCW-QGZVFWFLSA-N 0 1 294.483 3.536 20 0 CHADMN COc1ccc2nc(O[C@@H]3CCc4cccc(C)c43)[nH]c2c1 ZINC001229726216 1132111330 /nfs/dbraw/zinc/11/13/30/1132111330.db2.gz DTSMUYKWBJOCFC-MRXNPFEDSA-N 0 1 294.354 3.946 20 0 CHADMN COc1ccc([C@H](C)Oc2nc3ccc(OC)cc3[nH]2)cc1 ZINC001229731100 1132112204 /nfs/dbraw/zinc/11/22/04/1132112204.db2.gz VVOKDXWNUAAROF-NSHDSACASA-N 0 1 298.342 3.720 20 0 CHADMN CCC[C@@H](CC)Oc1ccc(F)cc1CN(C)C ZINC001229855474 1132125264 /nfs/dbraw/zinc/12/52/64/1132125264.db2.gz XDPPIAHJGCBUHF-CQSZACIVSA-N 0 1 253.361 3.845 20 0 CHADMN Cc1nc([C@@H](C)N[C@H]2CSc3ccccc3C2)cs1 ZINC001172183949 1132136526 /nfs/dbraw/zinc/13/65/26/1132136526.db2.gz IHNPCUFAXXZYMB-ZWNOBZJWSA-N 0 1 290.457 3.819 20 0 CHADMN C[C@@H](N[C@@H]1CSc2ccccc2C1)c1nccs1 ZINC001172188757 1132137656 /nfs/dbraw/zinc/13/76/56/1132137656.db2.gz WFSYCNNLUSJGAE-PWSUYJOCSA-N 0 1 276.430 3.511 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3nc(C)ccc3c2)cn1 ZINC001141485257 1132141648 /nfs/dbraw/zinc/14/16/48/1132141648.db2.gz VPQGUSFHQMDGCR-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN C[C@H]1c2ccsc2CCN1C[C@@H]1CC1(Cl)Cl ZINC000838548020 1132141792 /nfs/dbraw/zinc/14/17/92/1132141792.db2.gz JEEYLCYYJXTLKG-IUCAKERBSA-N 0 1 276.232 3.861 20 0 CHADMN Cc1ccc([C@H](C)Oc2nc[nH]c(=O)c2Cl)c(C)c1 ZINC001230019140 1132145824 /nfs/dbraw/zinc/14/58/24/1132145824.db2.gz YBEXYVUNLRHWHF-JTQLQIEISA-N 0 1 278.739 3.592 20 0 CHADMN CCN1CCC[C@H](Oc2cc3ccccc3cc2C(C)=O)C1 ZINC001230067422 1132152615 /nfs/dbraw/zinc/15/26/15/1132152615.db2.gz SNHMJEFEIHYBBS-KRWDZBQOSA-N 0 1 297.398 3.906 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(C)nc2Cl)cc1 ZINC000838911952 1132158270 /nfs/dbraw/zinc/15/82/70/1132158270.db2.gz UGZFXGXYYXXSQH-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1cc2[nH]ncc2cc1OC[C@@H](C)Oc1ccccc1 ZINC001230225065 1132161887 /nfs/dbraw/zinc/16/18/87/1132161887.db2.gz GVIFUENRYYIDSK-CYBMUJFWSA-N 0 1 282.343 3.718 20 0 CHADMN Cc1ccc([C@H](C)Oc2cc3cn[nH]c3cc2C)cn1 ZINC001230225039 1132162544 /nfs/dbraw/zinc/16/25/44/1132162544.db2.gz GGUFLTRNLDBOSQ-LBPRGKRZSA-N 0 1 267.332 3.715 20 0 CHADMN Cc1nc([C@@H]2CCCCN2[C@@H]2CC[C@@H](C)[C@H](C)C2)no1 ZINC001172372718 1132167517 /nfs/dbraw/zinc/16/75/17/1132167517.db2.gz GUGNIGGHCSOGJL-GBOPCIDUSA-N 0 1 277.412 3.730 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)N1CCCC(F)(F)[C@@H](F)C1 ZINC001172334027 1132173379 /nfs/dbraw/zinc/17/33/79/1132173379.db2.gz BGPVHWVNOKDJAF-AGIUHOORSA-N 0 1 281.362 3.649 20 0 CHADMN CC[C@H](C)OCC[C@H](C)N1CCCC(F)(F)[C@@H](F)C1 ZINC001172334031 1132173419 /nfs/dbraw/zinc/17/34/19/1132173419.db2.gz BGPVHWVNOKDJAF-AVGNSLFASA-N 0 1 281.362 3.649 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)N1CCO[C@@H](c2ccccc2)C1 ZINC001172344116 1132179301 /nfs/dbraw/zinc/17/93/01/1132179301.db2.gz WVEMYHKVLLLMKT-SOLBZPMBSA-N 0 1 291.435 3.654 20 0 CHADMN CC[C@H](C)OCC[C@H](C)N1Cc2ccc(OC)cc2C1 ZINC001172344184 1132179313 /nfs/dbraw/zinc/17/93/13/1132179313.db2.gz XLPXXLABPHXYIN-KBPBESRZSA-N 0 1 277.408 3.605 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)N1CCO[C@H](c2ccccc2)C1 ZINC001172344115 1132179545 /nfs/dbraw/zinc/17/95/45/1132179545.db2.gz WVEMYHKVLLLMKT-RYRKJORJSA-N 0 1 291.435 3.654 20 0 CHADMN CC(C)c1ccc(NC(=O)CN2CCCC2)c(C(C)C)c1 ZINC001141571618 1132181761 /nfs/dbraw/zinc/18/17/61/1132181761.db2.gz BSFQZJVGUUYFRG-UHFFFAOYSA-N 0 1 288.435 3.968 20 0 CHADMN Clc1ccc2c(CN3CCOCC34CCC4)c[nH]c2c1 ZINC001141585757 1132191398 /nfs/dbraw/zinc/19/13/98/1132191398.db2.gz CKOWXPXQSLULNX-UHFFFAOYSA-N 0 1 290.794 3.576 20 0 CHADMN CC(C)[C@@H]1COCCN1Cc1c[nH]c2cc(Cl)ccc12 ZINC001141585998 1132191834 /nfs/dbraw/zinc/19/18/34/1132191834.db2.gz NGDMYMPUUIESSG-INIZCTEOSA-N 0 1 292.810 3.678 20 0 CHADMN O=C(c1cccc(CN2C3CCC2CC3)c1)C(F)(F)F ZINC000839464082 1132217135 /nfs/dbraw/zinc/21/71/35/1132217135.db2.gz ZCZJLXXQUOGQDT-UHFFFAOYSA-N 0 1 283.293 3.558 20 0 CHADMN CCN1CC[C@@H](Oc2c(Cl)cccc2C(F)(F)F)C1 ZINC001230826836 1132219540 /nfs/dbraw/zinc/21/95/40/1132219540.db2.gz UTBIAEOWXMZEST-SECBINFHSA-N 0 1 293.716 3.832 20 0 CHADMN Fc1ccc2nc(CN3CCC(F)(F)CC3)ccc2c1 ZINC001141640294 1132220383 /nfs/dbraw/zinc/22/03/83/1132220383.db2.gz UWQIYLGWNIJQDU-UHFFFAOYSA-N 0 1 280.293 3.605 20 0 CHADMN CC(C)COCC[C@H](C)N1CCCC(F)(F)[C@H](F)C1 ZINC001172473373 1132225744 /nfs/dbraw/zinc/22/57/44/1132225744.db2.gz LSDZVGOJJITJQR-QWHCGFSZSA-N 0 1 281.362 3.507 20 0 CHADMN Cl/C=C\CN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000839651390 1132229638 /nfs/dbraw/zinc/22/96/38/1132229638.db2.gz HSWBLTJUUHRDDS-NOKKCYSASA-N 0 1 277.795 3.593 20 0 CHADMN Fc1cc(O[C@@H](c2cccnc2)C2CC2)cc2[nH]ncc21 ZINC001230930828 1132230324 /nfs/dbraw/zinc/23/03/24/1132230324.db2.gz IKKJLMBOWZJTGS-MRXNPFEDSA-N 0 1 283.306 3.627 20 0 CHADMN Brc1ccc2ccccc2c1CN1CC=CC1 ZINC001141715157 1132237031 /nfs/dbraw/zinc/23/70/31/1132237031.db2.gz NCJTUVBZSSBDFQ-UHFFFAOYSA-N 0 1 288.188 3.974 20 0 CHADMN CC1(C)CN(Cc2ccc3c(c2)Cc2ccccc2-3)CCO1 ZINC001141734674 1132242325 /nfs/dbraw/zinc/24/23/25/1132242325.db2.gz CJRIBSFBPVKUFD-UHFFFAOYSA-N 0 1 293.410 3.869 20 0 CHADMN Cc1nc([C@H](C)SC2=Nc3ccccc3CS2)n[nH]1 ZINC000840076878 1132245186 /nfs/dbraw/zinc/24/51/86/1132245186.db2.gz IOBQIBNTSBJJHY-QMMMGPOBSA-N 0 1 290.417 3.842 20 0 CHADMN CCCCN(Cn1ccsc1=O)[C@H]1CCC[C@H](C)C1 ZINC000840091458 1132248126 /nfs/dbraw/zinc/24/81/26/1132248126.db2.gz XCCMCKUKFHFDQG-KBPBESRZSA-N 0 1 282.453 3.548 20 0 CHADMN CCCC/C=C/[C@@H](C)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047447 1132248597 /nfs/dbraw/zinc/24/85/97/1132248597.db2.gz UBQLNAINAKBYDR-XCODYQFDSA-N 0 1 280.759 3.520 20 0 CHADMN CCc1coc(CN[C@H]2CC[C@@H](c3ccccc3)C2)n1 ZINC001172549398 1132261336 /nfs/dbraw/zinc/26/13/36/1132261336.db2.gz PJJFYIVFCKJRID-ZBFHGGJFSA-N 0 1 270.376 3.663 20 0 CHADMN CN(Cc1nccs1)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172565220 1132270177 /nfs/dbraw/zinc/27/01/77/1132270177.db2.gz TUBZPLYMTLTNJI-CABCVRRESA-N 0 1 272.417 3.911 20 0 CHADMN Cc1nc2c(o1)CCN([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172564416 1132270424 /nfs/dbraw/zinc/27/04/24/1132270424.db2.gz GGKPKCKJLSCFQD-HZPDHXFCSA-N 0 1 282.387 3.677 20 0 CHADMN CC[C@H](C)Oc1ccccc1C(=O)c1ccccc1O ZINC001231209691 1132271332 /nfs/dbraw/zinc/27/13/32/1132271332.db2.gz DFIZQBHKLBDTQR-LBPRGKRZSA-N 0 1 270.328 3.801 20 0 CHADMN c1ccc([C@@H]2CCC[C@H](NC3(c4ncccn4)CC3)C2)cc1 ZINC001172534816 1132273833 /nfs/dbraw/zinc/27/38/33/1132273833.db2.gz AUHXDCZKWAOHMU-SJORKVTESA-N 0 1 293.414 3.782 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2cc3n(n2)CCC3)s1 ZINC000840717307 1132275724 /nfs/dbraw/zinc/27/57/24/1132275724.db2.gz FOVARBGGYFSJKD-RYUDHWBXSA-N 0 1 275.421 3.611 20 0 CHADMN CN(C)c1ccc2cc(CN3CCOCC3(C)C)ccc2c1 ZINC001231442093 1132294335 /nfs/dbraw/zinc/29/43/35/1132294335.db2.gz VVXGUKNQMVEKBJ-UHFFFAOYSA-N 0 1 298.430 3.517 20 0 CHADMN CC(C)Oc1ccc(CNc2nccn2C2CC2)cc1 ZINC000840887042 1132304031 /nfs/dbraw/zinc/30/40/31/1132304031.db2.gz GCCNMSXQNOLXRG-UHFFFAOYSA-N 0 1 271.364 3.617 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1c[nH]c2cccnc12 ZINC001231491000 1132303902 /nfs/dbraw/zinc/30/39/02/1132303902.db2.gz ARXFCGYGOQTHMC-CYBMUJFWSA-N 0 1 295.386 3.765 20 0 CHADMN OC[C@@H]1C[C@@H](F)CN(Cc2cccc(-c3ccccc3)c2)C1 ZINC001231508767 1132308094 /nfs/dbraw/zinc/30/80/94/1132308094.db2.gz OTBYMUHUKXDSJK-VQIMIIECSA-N 0 1 299.389 3.506 20 0 CHADMN CC1(C)COCCN1Cc1cccc(-c2ccccc2)c1 ZINC001231510313 1132310855 /nfs/dbraw/zinc/31/08/55/1132310855.db2.gz QDOCESWYVTUXIN-UHFFFAOYSA-N 0 1 281.399 3.964 20 0 CHADMN C[C@H]1CN(Cc2cccc(-c3ccccc3)c2)C[C@H](C)O1 ZINC001231509466 1132311203 /nfs/dbraw/zinc/31/12/03/1132311203.db2.gz YZIUARFLPIWZMR-HOTGVXAUSA-N 0 1 281.399 3.963 20 0 CHADMN CCN(Cc1c[nH]c2cnccc12)Cc1ccccc1F ZINC001231522209 1132312233 /nfs/dbraw/zinc/31/22/33/1132312233.db2.gz UICAMLQZISCNTJ-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN FC[C@H]1CN(Cc2ccccc2-c2ccccc2)CCO1 ZINC000840955597 1132313245 /nfs/dbraw/zinc/31/32/45/1132313245.db2.gz WQCNYKRHKNWAHY-KRWDZBQOSA-N 0 1 285.362 3.524 20 0 CHADMN CC1CC([N@H+](C)Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231523622 1132313951 /nfs/dbraw/zinc/31/39/51/1132313951.db2.gz HJQAPXRRHNETGJ-UHFFFAOYSA-N 0 1 273.298 3.641 20 0 CHADMN CC1CC([N@@H+](C)Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231523622 1132313955 /nfs/dbraw/zinc/31/39/55/1132313955.db2.gz HJQAPXRRHNETGJ-UHFFFAOYSA-N 0 1 273.298 3.641 20 0 CHADMN Brc1c[nH]c(CN2CCC[C@H]3CCCC[C@H]32)c1 ZINC001231573456 1132315199 /nfs/dbraw/zinc/31/51/99/1132315199.db2.gz BVFKOVXMYUNIPF-BXUZGUMPSA-N 0 1 297.240 3.932 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)C[C@@H]([N@H+]2CCC[C@@H]2C(=O)[O-])C1 ZINC000840996117 1132318344 /nfs/dbraw/zinc/31/83/44/1132318344.db2.gz OCRKNAVMULXORM-MXASKKJJSA-N 0 1 287.403 3.508 20 0 CHADMN CN(Cc1ccon1)C1CCC(Cc2ccccc2)CC1 ZINC001172823364 1132319570 /nfs/dbraw/zinc/31/95/70/1132319570.db2.gz AQZDJIBQROXNQF-UHFFFAOYSA-N 0 1 284.403 3.908 20 0 CHADMN Cc1ccc(-c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)o1 ZINC001231595224 1132320602 /nfs/dbraw/zinc/32/06/02/1132320602.db2.gz RGGRSIWBQWKXDP-GASCZTMLSA-N 0 1 285.387 3.864 20 0 CHADMN COc1cc(F)ccc1CN1CCC(F)(F)C(C)(C)C1 ZINC001231599957 1132323677 /nfs/dbraw/zinc/32/36/77/1132323677.db2.gz FFZYSAWWBXTCQC-UHFFFAOYSA-N 0 1 287.325 3.702 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3c(Cl)cc(O)cc3Cl)C[C@@H]21 ZINC001142114989 1132328030 /nfs/dbraw/zinc/32/80/30/1132328030.db2.gz SGCFPWTXLALDCR-PHIMTYICSA-N 0 1 286.202 3.787 20 0 CHADMN Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H](C)C2)c(Cl)n1 ZINC001142125137 1132329974 /nfs/dbraw/zinc/32/99/74/1132329974.db2.gz KNTPWEXUCURLNT-VXGBXAGGSA-N 0 1 266.816 3.911 20 0 CHADMN C[C@]1(CF)CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001231630305 1132330680 /nfs/dbraw/zinc/33/06/80/1132330680.db2.gz MDKJMTMCPXXKPE-MRXNPFEDSA-N 0 1 274.339 3.523 20 0 CHADMN C[C@]1(CF)CCN(Cc2coc(-c3ccccc3)n2)C1 ZINC001231630305 1132330690 /nfs/dbraw/zinc/33/06/90/1132330690.db2.gz MDKJMTMCPXXKPE-MRXNPFEDSA-N 0 1 274.339 3.523 20 0 CHADMN Cc1sc2ccccc2c1CN1C[C@@H](C)OC[C@@H]1C ZINC001231647968 1132332905 /nfs/dbraw/zinc/33/29/05/1132332905.db2.gz XOLRJXAZUQQTHH-NWDGAFQWSA-N 0 1 275.417 3.819 20 0 CHADMN C[C@@H](Cc1c(F)cccc1Cl)N1CC2(CCC2)C1 ZINC001172847761 1132337931 /nfs/dbraw/zinc/33/79/31/1132337931.db2.gz PEPCUAYDBSDACM-NSHDSACASA-N 0 1 267.775 3.896 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001172847963 1132338013 /nfs/dbraw/zinc/33/80/13/1132338013.db2.gz QNPYERBYALIEBQ-UTUOFQBUSA-N 0 1 295.785 3.606 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cc3cc[nH]c3cn2)cn1 ZINC001231670274 1132343341 /nfs/dbraw/zinc/34/33/41/1132343341.db2.gz YMFVNAJZURMQAO-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cc3cc[nH]c3cn2)cn1 ZINC001231670275 1132343566 /nfs/dbraw/zinc/34/35/66/1132343566.db2.gz YMFVNAJZURMQAO-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN CCC[N@@H+](C)Cc1ccccc1-c1ccccc1C(=O)[O-] ZINC001231677884 1132344297 /nfs/dbraw/zinc/34/42/97/1132344297.db2.gz RJGRJZIVXGJFFX-UHFFFAOYSA-N 0 1 283.371 3.894 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2cc3cc[nH]c3cn2)cc1C ZINC001231673962 1132344971 /nfs/dbraw/zinc/34/49/71/1132344971.db2.gz XFBSSSRPSUYLJN-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN C[C@@H](Cc1c(F)cccc1Cl)N(C)Cc1ccno1 ZINC001172860020 1132346445 /nfs/dbraw/zinc/34/64/45/1132346445.db2.gz CIZFERYUZNUAER-JTQLQIEISA-N 0 1 282.746 3.530 20 0 CHADMN C[C@H](Cc1ccc(F)cc1Cl)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001172863235 1132347637 /nfs/dbraw/zinc/34/76/37/1132347637.db2.gz HJZXEQNKEKZLKT-HONMWMINSA-N 0 1 295.785 3.606 20 0 CHADMN C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(Cl)c([O-])c1 ZINC001231734196 1132348702 /nfs/dbraw/zinc/34/87/02/1132348702.db2.gz RIYCVTHTAFZURE-WDEREUQCSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(Cl)c([O-])c1 ZINC001231734196 1132348710 /nfs/dbraw/zinc/34/87/10/1132348710.db2.gz RIYCVTHTAFZURE-WDEREUQCSA-N 0 1 253.773 3.666 20 0 CHADMN CC(C)Oc1ncccc1CN1CCC2(CC(F)C2)CC1 ZINC001231756273 1132352841 /nfs/dbraw/zinc/35/28/41/1132352841.db2.gz ASGVHHBBOUBDNL-UHFFFAOYSA-N 0 1 292.398 3.583 20 0 CHADMN CCOc1ncccc1CN1CCC[C@H]1c1ccccc1 ZINC001231764836 1132356613 /nfs/dbraw/zinc/35/66/13/1132356613.db2.gz LXXFISNALCTCHG-KRWDZBQOSA-N 0 1 282.387 3.817 20 0 CHADMN CCOc1ncccc1C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001231767395 1132358116 /nfs/dbraw/zinc/35/81/16/1132358116.db2.gz VAHNKKKPYHTTGT-KRWDZBQOSA-N 0 1 282.387 3.600 20 0 CHADMN CCOc1ncccc1CN(C)[C@H]1CCc2ccccc21 ZINC001231767395 1132358123 /nfs/dbraw/zinc/35/81/23/1132358123.db2.gz VAHNKKKPYHTTGT-KRWDZBQOSA-N 0 1 282.387 3.600 20 0 CHADMN CC[C@@H]1COCCN1[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172882538 1132359206 /nfs/dbraw/zinc/35/92/06/1132359206.db2.gz QQKYSUIOVDDTJE-GXTWGEPZSA-N 0 1 299.867 3.931 20 0 CHADMN C[C@H](CSc1ccc(Cl)cc1)N1CC2(CSC2)C1 ZINC001172884673 1132359269 /nfs/dbraw/zinc/35/92/69/1132359269.db2.gz FMWDWQXFHXHQPN-LLVKDONJSA-N 0 1 299.892 3.869 20 0 CHADMN CCCCc1ccc(CN2CCCC[C@H]2C(C)=O)cc1 ZINC001231781610 1132360127 /nfs/dbraw/zinc/36/01/27/1132360127.db2.gz JWELYRHCSQSJTO-SFHVURJKSA-N 0 1 273.420 3.973 20 0 CHADMN CSc1ccccc1CN1CCCC[C@@H](F)C1 ZINC001231782499 1132360942 /nfs/dbraw/zinc/36/09/42/1132360942.db2.gz LPBIOMBWGASHIO-CYBMUJFWSA-N 0 1 253.386 3.733 20 0 CHADMN CC(C)Cc1ccc(CN2CCc3cnccc3C2)cc1 ZINC001231787054 1132362205 /nfs/dbraw/zinc/36/22/05/1132362205.db2.gz SXAWQQOYRKXMNQ-UHFFFAOYSA-N 0 1 280.415 3.838 20 0 CHADMN CC(C)Cc1ccc(CN2CCc3ccncc3C2)cc1 ZINC001231787823 1132362445 /nfs/dbraw/zinc/36/24/45/1132362445.db2.gz JPEKXXYGYYZJBB-UHFFFAOYSA-N 0 1 280.415 3.838 20 0 CHADMN CCCC=CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000841443024 1132364676 /nfs/dbraw/zinc/36/46/76/1132364676.db2.gz IXVXYLBYGVRZPN-SREVYHEPSA-N 0 1 273.336 3.581 20 0 CHADMN c1cc(-c2ccccc2)oc1CN1CC(N2CCCCC2)C1 ZINC001231812828 1132370862 /nfs/dbraw/zinc/37/08/62/1132370862.db2.gz JCXLSYANURFKRF-UHFFFAOYSA-N 0 1 296.414 3.617 20 0 CHADMN c1ccc(-c2ccccc2CN2CCOC3(CC3)C2)cc1 ZINC001142349344 1132373617 /nfs/dbraw/zinc/37/36/17/1132373617.db2.gz WXTGNQJDWMJCNL-UHFFFAOYSA-N 0 1 279.383 3.718 20 0 CHADMN Cc1ccc2ccccc2c1CN1CCC(=O)C[C@@H]1C ZINC001142372285 1132378051 /nfs/dbraw/zinc/37/80/51/1132378051.db2.gz YKTYPVXZOZUCDO-AWEZNQCLSA-N 0 1 267.372 3.702 20 0 CHADMN C[C@H]1CCN(Cc2ccc(C(F)(F)F)c(F)c2F)C1 ZINC001231856282 1132380831 /nfs/dbraw/zinc/38/08/31/1132380831.db2.gz MAKCWXGPTIKXEN-QMMMGPOBSA-N 0 1 279.252 3.825 20 0 CHADMN C[C@H]1CCN(Cc2cnc(C(F)(F)F)cc2Cl)C1 ZINC001231902022 1132392151 /nfs/dbraw/zinc/39/21/51/1132392151.db2.gz YONWAJFQFVUNQC-QMMMGPOBSA-N 0 1 278.705 3.596 20 0 CHADMN FC(F)c1cc(CN2CCCCC23CC3)ccn1 ZINC001231892762 1132395233 /nfs/dbraw/zinc/39/52/33/1132395233.db2.gz IMXWDCWYDJUMBM-UHFFFAOYSA-N 0 1 252.308 3.538 20 0 CHADMN COc1cccc2c(C[N@H+]3CC[C@H](C(F)(F)F)C3)c[nH]c21 ZINC001231900069 1132397264 /nfs/dbraw/zinc/39/72/64/1132397264.db2.gz CPOXYNIEYYWZGS-NSHDSACASA-N 0 1 298.308 3.561 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(Cl)cc2)cnc1F ZINC001231926939 1132399498 /nfs/dbraw/zinc/39/94/98/1132399498.db2.gz KZCJWJAVJHAOKN-UHFFFAOYSA-N 0 1 278.758 3.815 20 0 CHADMN c1ncn2c1CN(C1CCC3(CCCCC3)CC1)CC2 ZINC001173120106 1132399613 /nfs/dbraw/zinc/39/96/13/1132399613.db2.gz DAWJLBLNEDDESN-UHFFFAOYSA-N 0 1 273.424 3.592 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1cnc(F)cc1C ZINC001231984304 1132404712 /nfs/dbraw/zinc/40/47/12/1132404712.db2.gz UZPKZGHULPSAIU-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN Cc1cc(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)cc(C)n1 ZINC001231995978 1132406923 /nfs/dbraw/zinc/40/69/23/1132406923.db2.gz WAKMWGNFMMJDGA-LLVKDONJSA-N 0 1 268.351 3.566 20 0 CHADMN Cc1cc(CN2CC[C@@H]2c2ccccc2)cc(C)n1 ZINC001232001636 1132408514 /nfs/dbraw/zinc/40/85/14/1132408514.db2.gz UHVGALKGMXKTDA-QGZVFWFLSA-N 0 1 252.361 3.645 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCC[C@@H](F)C1 ZINC001232003597 1132408831 /nfs/dbraw/zinc/40/88/31/1132408831.db2.gz CDRMVBXBWOHTST-CYBMUJFWSA-N 0 1 275.289 3.948 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001232002636 1132409233 /nfs/dbraw/zinc/40/92/33/1132409233.db2.gz XIOUJRSLKKCHGH-FPMFFAJLSA-N 0 1 287.300 3.804 20 0 CHADMN CCN(Cc1cccs1)Cc1cc(C)nc(C)c1 ZINC001232000894 1132409422 /nfs/dbraw/zinc/40/94/22/1132409422.db2.gz BEYMOQYAQVGUGM-UHFFFAOYSA-N 0 1 260.406 3.782 20 0 CHADMN C[C@H]1CCCCCN1Cc1c(Cl)n(C)nc1C(F)F ZINC001232053744 1132414311 /nfs/dbraw/zinc/41/43/11/1132414311.db2.gz GFMXRKVATIMICH-VIFPVBQESA-N 0 1 291.773 3.776 20 0 CHADMN Oc1cncc(C[N@H+]2CCC[C@H](CCc3ccccc3)C2)c1 ZINC001232044065 1132414424 /nfs/dbraw/zinc/41/44/24/1132414424.db2.gz NOCYEOTZVPTZNM-QGZVFWFLSA-N 0 1 296.414 3.632 20 0 CHADMN CC1(C)CN(Cc2cc3ncccc3[nH]2)Cc2ccccc21 ZINC001232066381 1132416474 /nfs/dbraw/zinc/41/64/74/1132416474.db2.gz VIAUSZJBVGCKRQ-UHFFFAOYSA-N 0 1 291.398 3.856 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1cc2ncccc2[nH]1 ZINC001232065723 1132417037 /nfs/dbraw/zinc/41/70/37/1132417037.db2.gz GBDIBUPXWWCUCE-CYBMUJFWSA-N 0 1 277.371 3.510 20 0 CHADMN c1c(CN2CCCC[C@H]2c2cccnc2)[nH]c2cccnc12 ZINC001232070325 1132418390 /nfs/dbraw/zinc/41/83/90/1132418390.db2.gz RNWVENURXQQBOR-SFHVURJKSA-N 0 1 292.386 3.685 20 0 CHADMN CCC(C)(C)c1ccc(CN2C[C@H](CO)C[C@H](F)C2)cc1 ZINC001232078583 1132419155 /nfs/dbraw/zinc/41/91/55/1132419155.db2.gz AZAXMRNOWCLPON-WBVHZDCISA-N 0 1 293.426 3.527 20 0 CHADMN C[C@@H]1CN(Cc2cc3ccncc3[nH]2)Cc2ccccc21 ZINC001232090894 1132420047 /nfs/dbraw/zinc/42/00/47/1132420047.db2.gz QGQPBZBTGAVVHO-CYBMUJFWSA-N 0 1 277.371 3.682 20 0 CHADMN c1c2ccncc2[nH]c1CN1CC[C@H]1c1ccccc1 ZINC001232095340 1132422029 /nfs/dbraw/zinc/42/20/29/1132422029.db2.gz DHGQFIOJLWRNLH-KRWDZBQOSA-N 0 1 263.344 3.510 20 0 CHADMN CCCC[C@@H](CC(C)C)NCc1nccc(Cl)n1 ZINC001173252988 1132422715 /nfs/dbraw/zinc/42/27/15/1132422715.db2.gz MJSSCKIMOKBFCQ-LBPRGKRZSA-N 0 1 269.820 3.825 20 0 CHADMN Fc1ccc(S[C@H]2CC[N@@H+](Cc3ccns3)C2)cc1 ZINC001232192837 1132433631 /nfs/dbraw/zinc/43/36/31/1132433631.db2.gz ALEMTTQKNVCXAS-ZDUSSCGKSA-N 0 1 294.420 3.649 20 0 CHADMN Fc1ccc(S[C@H]2CCN(Cc3ccns3)C2)cc1 ZINC001232192837 1132433634 /nfs/dbraw/zinc/43/36/34/1132433634.db2.gz ALEMTTQKNVCXAS-ZDUSSCGKSA-N 0 1 294.420 3.649 20 0 CHADMN C/C(Cl)=C/C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC001142732873 1132436958 /nfs/dbraw/zinc/43/69/58/1132436958.db2.gz NXZJFLQXYZOUTL-CLFYSBASSA-N 0 1 291.782 3.942 20 0 CHADMN Cc1scnc1CN1CCC(c2ccccc2)CC1 ZINC001232211122 1132436997 /nfs/dbraw/zinc/43/69/97/1132436997.db2.gz WSRPJJADQVWGOZ-UHFFFAOYSA-N 0 1 272.417 3.831 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1ccnc(C(F)(F)F)c1 ZINC001232235577 1132440644 /nfs/dbraw/zinc/44/06/44/1132440644.db2.gz SBHRVTISLQLAQX-PHIMTYICSA-N 0 1 272.314 3.863 20 0 CHADMN C[C@H]1CCN(Cc2ccnc(C(F)(F)F)c2)[C@@H](C)C1 ZINC001232241125 1132443417 /nfs/dbraw/zinc/44/34/17/1132443417.db2.gz GPPXRRTVFDNKOM-QWRGUYRKSA-N 0 1 272.314 3.721 20 0 CHADMN C[C@H]1CCCCCN1Cc1ccnc(C(F)(F)F)c1 ZINC001232238800 1132443440 /nfs/dbraw/zinc/44/34/40/1132443440.db2.gz GYCXUGOLYUNPLN-NSHDSACASA-N 0 1 272.314 3.865 20 0 CHADMN Clc1cc(CN2CC[C@H](c3ccccn3)C2)cs1 ZINC001142769663 1132444688 /nfs/dbraw/zinc/44/46/88/1132444688.db2.gz XRKOKJHJIDKHTN-LBPRGKRZSA-N 0 1 278.808 3.786 20 0 CHADMN CCN(Cc1cccnc1)Cc1nccc2ccccc21 ZINC001232248740 1132444937 /nfs/dbraw/zinc/44/49/37/1132444937.db2.gz XGOGAOMLZVKGGJ-UHFFFAOYSA-N 0 1 277.371 3.652 20 0 CHADMN CCCCCC[C@H](CC)c1nc([C@H]2CCCN2)no1 ZINC000842638454 1132446206 /nfs/dbraw/zinc/44/62/06/1132446206.db2.gz AWWKWPVOLZRQER-QWHCGFSZSA-N 0 1 265.401 3.958 20 0 CHADMN CCSC[C@H](C)N1CCc2ccc(Cl)cc2C1 ZINC001173301526 1132447359 /nfs/dbraw/zinc/44/73/59/1132447359.db2.gz VRULKTWFMIYFEZ-NSHDSACASA-N 0 1 269.841 3.840 20 0 CHADMN CC(C)(C)c1ccc(CCc2nc([C@@H]3CCCN3)no2)cc1 ZINC000842647158 1132447982 /nfs/dbraw/zinc/44/79/82/1132447982.db2.gz LXPGRJWAPMAVTG-HNNXBMFYSA-N 0 1 299.418 3.577 20 0 CHADMN COCc1ccc(CN2Cc3cccc(C)c3C2)cc1 ZINC001232298927 1132450416 /nfs/dbraw/zinc/45/04/16/1132450416.db2.gz WOJFFBJIFNSOKX-UHFFFAOYSA-N 0 1 267.372 3.657 20 0 CHADMN CCOc1ncc(CN2CC3(C2)CCCCC3)cc1C ZINC001232307304 1132451603 /nfs/dbraw/zinc/45/16/03/1132451603.db2.gz WBHWMUZNPYEXEA-UHFFFAOYSA-N 0 1 274.408 3.555 20 0 CHADMN CCOc1ccc(CN2Cc3ccccc3[C@@H](C)C2)c(C)n1 ZINC001232309059 1132452158 /nfs/dbraw/zinc/45/21/58/1132452158.db2.gz YSXNJPOLGVMTPW-AWEZNQCLSA-N 0 1 296.414 3.908 20 0 CHADMN CCOc1ncc(CN(C)Cc2ccc(C)cc2)cc1C ZINC001232307659 1132452728 /nfs/dbraw/zinc/45/27/28/1132452728.db2.gz BLMGIWPOUZTTJU-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H]2c2ccncc2)c(C)n1 ZINC001232312128 1132453211 /nfs/dbraw/zinc/45/32/11/1132453211.db2.gz OYHRZMOWPOQMAG-QGZVFWFLSA-N 0 1 297.402 3.521 20 0 CHADMN CC[C@@H]1CC[C@@H](N2Cc3cnc(Cl)cc3C2)C1 ZINC001173283096 1132454994 /nfs/dbraw/zinc/45/49/94/1132454994.db2.gz JJGCNUCXFYLXEA-ZWNOBZJWSA-N 0 1 250.773 3.629 20 0 CHADMN CSc1ccc(CN2CC[C@@H](C)C(F)(F)CC2)cn1 ZINC001232324915 1132455278 /nfs/dbraw/zinc/45/52/78/1132455278.db2.gz RSUGBPIRGBLEBV-LLVKDONJSA-N 0 1 286.391 3.671 20 0 CHADMN COc1cc(CN2CCC[C@@H](C)[C@@H]2C)c(OC)cc1Cl ZINC001232372224 1132460088 /nfs/dbraw/zinc/46/00/88/1132460088.db2.gz LVUKKEVMKRAUAJ-NEPJUHHUSA-N 0 1 297.826 3.978 20 0 CHADMN Cc1cccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1OC(C)C ZINC001232393763 1132464138 /nfs/dbraw/zinc/46/41/38/1132464138.db2.gz SHDGKHLDSJZJQN-JYJNAYRXSA-N 0 1 277.383 3.572 20 0 CHADMN COc1ccc(C[N@@H+](C)Cc2cc(F)c(C)c(F)c2)cc1 ZINC001232421667 1132467595 /nfs/dbraw/zinc/46/75/95/1132467595.db2.gz MQVDSSVVMYXSPZ-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN COc1ccc(CN(C)Cc2cc(F)c(C)c(F)c2)cc1 ZINC001232421667 1132467596 /nfs/dbraw/zinc/46/75/96/1132467596.db2.gz MQVDSSVVMYXSPZ-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN CC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)o2)C1 ZINC001232445764 1132470973 /nfs/dbraw/zinc/47/09/73/1132470973.db2.gz WBWMWGGLXCQXDL-SNVBAGLBSA-N 0 1 261.287 3.920 20 0 CHADMN FC(F)(F)c1ccc(CN2CC[C@@H](c3ccccn3)C2)o1 ZINC001232443644 1132471732 /nfs/dbraw/zinc/47/17/32/1132471732.db2.gz GGALIUTUHMITAY-LLVKDONJSA-N 0 1 296.292 3.683 20 0 CHADMN C[C@H]1CCCN(Cc2ccc(C(F)(F)F)o2)[C@H]1C ZINC001232443724 1132471933 /nfs/dbraw/zinc/47/19/33/1132471933.db2.gz HQWMHLCHZWQINV-UWVGGRQHSA-N 0 1 261.287 3.919 20 0 CHADMN CCCCCN(C)Cc1cc(OCc2ccccc2)no1 ZINC001232445927 1132472340 /nfs/dbraw/zinc/47/23/40/1132472340.db2.gz BTIPXQBFOKFYHN-UHFFFAOYSA-N 0 1 288.391 3.876 20 0 CHADMN COC(C)(C)[C@H]1CCCN1Cc1ccc(C(F)(F)F)o1 ZINC001232445648 1132472472 /nfs/dbraw/zinc/47/24/72/1132472472.db2.gz VCHXTJWCTYMLTI-LLVKDONJSA-N 0 1 291.313 3.688 20 0 CHADMN CSc1ccccc1[C@H]1CCC[N@H+]1Cc1cnc(C)[nH]1 ZINC001232464591 1132473006 /nfs/dbraw/zinc/47/30/06/1132473006.db2.gz ISWDTQDXOQBKJI-OAHLLOKOSA-N 0 1 287.432 3.777 20 0 CHADMN CSc1ccccc1[C@H]1CCC[N@@H+]1Cc1c[nH]c(C)n1 ZINC001232464591 1132473009 /nfs/dbraw/zinc/47/30/09/1132473009.db2.gz ISWDTQDXOQBKJI-OAHLLOKOSA-N 0 1 287.432 3.777 20 0 CHADMN CSc1ccccc1[C@H]1CCCN1Cc1c[nH]c(C)n1 ZINC001232464591 1132473018 /nfs/dbraw/zinc/47/30/18/1132473018.db2.gz ISWDTQDXOQBKJI-OAHLLOKOSA-N 0 1 287.432 3.777 20 0 CHADMN Cc1ncc(CN(C)[C@@H](C)c2ccccc2Cl)[nH]1 ZINC001232465370 1132473066 /nfs/dbraw/zinc/47/30/66/1132473066.db2.gz KGGYMGMWBCDVLE-JTQLQIEISA-N 0 1 263.772 3.565 20 0 CHADMN Cc1ncc(CN(C)Cc2cccc(Cl)c2Cl)[nH]1 ZINC001232463933 1132474031 /nfs/dbraw/zinc/47/40/31/1132474031.db2.gz PKBUGPGPOJJEOT-UHFFFAOYSA-N 0 1 284.190 3.657 20 0 CHADMN Cc1cc(Br)c(CN(C)CC2CC2)cc1F ZINC001232469441 1132474816 /nfs/dbraw/zinc/47/48/16/1132474816.db2.gz VFRFNPFEQXQBPP-UHFFFAOYSA-N 0 1 286.188 3.738 20 0 CHADMN CCc1csc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)n1 ZINC001232474107 1132476512 /nfs/dbraw/zinc/47/65/12/1132476512.db2.gz OCLGWVPMLBMEHP-BETUJISGSA-N 0 1 284.428 3.792 20 0 CHADMN FC1(F)COC2(CN([C@@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173351110 1132476535 /nfs/dbraw/zinc/47/65/35/1132476535.db2.gz YCIMCWGPQRSVSA-CQSZACIVSA-N 0 1 299.405 3.990 20 0 CHADMN Cc1cccc(F)c1CN1CC(c2ccccc2)C1 ZINC001232483699 1132477973 /nfs/dbraw/zinc/47/79/73/1132477973.db2.gz NPSHKPHSTKNLRA-UHFFFAOYSA-N 0 1 255.336 3.734 20 0 CHADMN Cc1cccc(F)c1CN1CCC[C@H]1c1ccccn1 ZINC001232485551 1132478572 /nfs/dbraw/zinc/47/85/72/1132478572.db2.gz YYMBJCGPQFDKFD-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN COc1cc(Cl)ccc1CN1CCC[C@@H](F)CC1 ZINC001232496092 1132479064 /nfs/dbraw/zinc/47/90/64/1132479064.db2.gz GEIMWRZWLMRXPL-CYBMUJFWSA-N 0 1 271.763 3.673 20 0 CHADMN Cc1cccc(F)c1CN1CC[C@](CF)(C(F)(F)F)C1 ZINC001232489198 1132479837 /nfs/dbraw/zinc/47/98/37/1132479837.db2.gz JRKXRNCFMCJXHX-CYBMUJFWSA-N 0 1 293.279 3.858 20 0 CHADMN CCCCC1CCN(Cc2cc(F)ccn2)CC1 ZINC001232492559 1132479860 /nfs/dbraw/zinc/47/98/60/1132479860.db2.gz GCUHNLCCWXJIBA-UHFFFAOYSA-N 0 1 250.361 3.623 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cc(F)ccn2)cc1 ZINC001232494578 1132480108 /nfs/dbraw/zinc/48/01/08/1132480108.db2.gz VFSAEMJDBGUSAY-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1Cc1cc(F)ccn1 ZINC001232492784 1132480546 /nfs/dbraw/zinc/48/05/46/1132480546.db2.gz MESNMSYLGBNOSU-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Nc1ccc(F)cc1CN1CCC[C@H]1c1ccc(F)cc1 ZINC001232508031 1132481712 /nfs/dbraw/zinc/48/17/12/1132481712.db2.gz UYVWFNVBIBNBJJ-KRWDZBQOSA-N 0 1 288.341 3.884 20 0 CHADMN Cc1c(Br)cncc1CN1C[C@H](C)CC12CC2 ZINC001232530963 1132482938 /nfs/dbraw/zinc/48/29/38/1132482938.db2.gz DGLXJJDTMSBPHV-SNVBAGLBSA-N 0 1 295.224 3.527 20 0 CHADMN Cc1c(Br)cncc1CN1CCC[C@H](C)[C@@H]1C ZINC001232532025 1132483461 /nfs/dbraw/zinc/48/34/61/1132483461.db2.gz AOQGPJOGXZVMLK-JQWIXIFHSA-N 0 1 297.240 3.773 20 0 CHADMN Fc1cc2c(cc1F)CC([N@H+]1CC[C@H]1c1ccccc1)C2 ZINC001173482406 1132486542 /nfs/dbraw/zinc/48/65/42/1132486542.db2.gz FSXZEAMYAKKGFJ-SFHVURJKSA-N 0 1 285.337 3.879 20 0 CHADMN C[C@H]1Cc2ccccc2C[N@H+]1C1Cc2cc(F)c(F)cc2C1 ZINC001173482471 1132486551 /nfs/dbraw/zinc/48/65/51/1132486551.db2.gz HDLJFGICXXZXAG-LBPRGKRZSA-N 0 1 299.364 3.879 20 0 CHADMN CC(C)[N@@H+](Cc1ccccc1)Cc1cccn2ccnc12 ZINC001142948685 1132487959 /nfs/dbraw/zinc/48/79/59/1132487959.db2.gz DLKAQUYKIQZABB-UHFFFAOYSA-N 0 1 279.387 3.745 20 0 CHADMN COC(=O)CCCC[C@H](C)N1Cc2ccc(Cl)cc2C1 ZINC001173459248 1132488824 /nfs/dbraw/zinc/48/88/24/1132488824.db2.gz BUABLUPUELGFRA-LBPRGKRZSA-N 0 1 295.810 3.778 20 0 CHADMN CCOC(=O)c1ccc(CN2CCC3(CC3)C2)c(Cl)c1 ZINC001232591240 1132491276 /nfs/dbraw/zinc/49/12/76/1132491276.db2.gz VPBOVZLZIGRSPB-UHFFFAOYSA-N 0 1 293.794 3.503 20 0 CHADMN CCOC(=O)c1ccc(CN2CCCC[C@H]2C)c(Cl)c1 ZINC001232591857 1132491921 /nfs/dbraw/zinc/49/19/21/1132491921.db2.gz AGFGBSXJCYMBIT-GFCCVEGCSA-N 0 1 295.810 3.891 20 0 CHADMN CC[C@](C)(N)c1nc(-c2ccc(C)c(C(F)(F)F)c2)no1 ZINC001249282032 1132493679 /nfs/dbraw/zinc/49/36/79/1132493679.db2.gz UHUUKYZSFLIJIJ-ZDUSSCGKSA-N 0 1 299.296 3.648 20 0 CHADMN [O-]c1c(Cl)ccc(C[NH+]2C3CCC2CC3)c1Cl ZINC001232630027 1132498360 /nfs/dbraw/zinc/49/83/60/1132498360.db2.gz IGHWEKKHARPGFQ-UHFFFAOYSA-N 0 1 272.175 3.826 20 0 CHADMN CCCN[C@H](C)c1nc(Cc2c[nH]c3cc(C)ccc23)no1 ZINC000843183936 1132500613 /nfs/dbraw/zinc/50/06/13/1132500613.db2.gz UTQCLTMQPHRQFX-GFCCVEGCSA-N 0 1 298.390 3.511 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2ccc3[nH]c(C)c(C)c3c2)no1 ZINC000843181737 1132500724 /nfs/dbraw/zinc/50/07/24/1132500724.db2.gz NKTLFMQZNZMXTR-LBPRGKRZSA-N 0 1 298.390 3.895 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2cccc(OC(C)C)c2)no1 ZINC000843181698 1132500735 /nfs/dbraw/zinc/50/07/35/1132500735.db2.gz GKDGAFDEKMYRPN-LBPRGKRZSA-N 0 1 289.379 3.584 20 0 CHADMN CCCN[C@H](C)c1nc([C@H](C)c2c(F)cccc2F)no1 ZINC000843189107 1132502849 /nfs/dbraw/zinc/50/28/49/1132502849.db2.gz KKIFMCTTWNYAFH-NXEZZACHSA-N 0 1 295.333 3.560 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(-c2c[nH]c3ccccc23)no1 ZINC000843218130 1132503223 /nfs/dbraw/zinc/50/32/23/1132503223.db2.gz YXVHVIJMSSBRFO-CQSZACIVSA-N 0 1 298.390 3.915 20 0 CHADMN CCN(Cc1ccccc1F)Cc1cncc2cnccc21 ZINC001232652655 1132503637 /nfs/dbraw/zinc/50/36/37/1132503637.db2.gz JMOIZAKIURQSJH-UHFFFAOYSA-N 0 1 295.361 3.791 20 0 CHADMN CCCN[C@@H](C)c1nc(C(C)(C)c2cccc(F)c2)no1 ZINC000843220044 1132504926 /nfs/dbraw/zinc/50/49/26/1132504926.db2.gz ALWCBTRDAIBLEQ-NSHDSACASA-N 0 1 291.370 3.595 20 0 CHADMN Clc1ccc2cc(CN3CCC[C@]4(CCO4)C3)[nH]c2c1 ZINC001232732107 1132509127 /nfs/dbraw/zinc/50/91/27/1132509127.db2.gz NVUGRQOBPLOEJM-INIZCTEOSA-N 0 1 290.794 3.576 20 0 CHADMN C[C@@H]1CN(C2CCC3(CCc4ccccc43)CC2)CCC1=O ZINC001173687334 1132510342 /nfs/dbraw/zinc/51/03/42/1132510342.db2.gz FQFGVHSQWWKEAI-XRTORIHISA-N 0 1 297.442 3.724 20 0 CHADMN Cc1cc(CN2CCC[C@@H](F)CC2)c(F)cc1F ZINC001232784085 1132517912 /nfs/dbraw/zinc/51/79/12/1132517912.db2.gz HYYCPQQGEOPCLN-GFCCVEGCSA-N 0 1 257.299 3.597 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1cc2cccnc2[nH]1 ZINC001143221811 1132518738 /nfs/dbraw/zinc/51/87/38/1132518738.db2.gz MLXDVGKJWSWIJD-CYBMUJFWSA-N 0 1 277.371 3.510 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)C[C@@H]2C)c(F)cc1F ZINC001232782674 1132519084 /nfs/dbraw/zinc/51/90/84/1132519084.db2.gz OCPFWHWNQUJXOC-PWSUYJOCSA-N 0 1 253.336 3.894 20 0 CHADMN C[C@@H]1CCCN1Cc1ccc(C(F)(F)F)nc1Cl ZINC001232790316 1132520634 /nfs/dbraw/zinc/52/06/34/1132520634.db2.gz MCKDTNWTYRWIBO-MRVPVSSYSA-N 0 1 278.705 3.738 20 0 CHADMN Fc1cc(CN2CCC[C@@H]3C[C@@H]32)cc(OC(F)(F)F)c1 ZINC001143261853 1132525517 /nfs/dbraw/zinc/52/55/17/1132525517.db2.gz FTKGZHKCQBJPQR-MFKMUULPSA-N 0 1 289.272 3.709 20 0 CHADMN CCOc1ccc(CN2CCCC[C@@H](C)C2)c(F)c1F ZINC001143269434 1132525963 /nfs/dbraw/zinc/52/59/63/1132525963.db2.gz MCOUMLOZAAUYTR-GFCCVEGCSA-N 0 1 283.362 3.986 20 0 CHADMN COc1cc(CN2CC3(C2)CCCCC3)c(OC)cc1C ZINC001232837301 1132528166 /nfs/dbraw/zinc/52/81/66/1132528166.db2.gz RLDBGKONBDVCOU-UHFFFAOYSA-N 0 1 289.419 3.778 20 0 CHADMN CCOc1ccc(CN2CC[C@H](C)C[C@H]2C)c(F)c1F ZINC001143276202 1132529318 /nfs/dbraw/zinc/52/93/18/1132529318.db2.gz IUPIUWYFCGVATM-NWDGAFQWSA-N 0 1 283.362 3.984 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Br)co2)[C@H]1C ZINC001232854947 1132530149 /nfs/dbraw/zinc/53/01/49/1132530149.db2.gz SABPSBLVSLHPDD-ZJUUUORDSA-N 0 1 272.186 3.663 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2cc(Br)co2)C1 ZINC001232858095 1132530206 /nfs/dbraw/zinc/53/02/06/1132530206.db2.gz ZNDHOADHSOOSSE-UWVGGRQHSA-N 0 1 272.186 3.520 20 0 CHADMN COc1ccc(F)c(C(F)(F)F)c1CN(C)C(C)C ZINC001143295924 1132532662 /nfs/dbraw/zinc/53/26/62/1132532662.db2.gz QHHYJWHPNXPDNI-UHFFFAOYSA-N 0 1 279.277 3.693 20 0 CHADMN Oc1ccc2[nH]cc(CN(Cc3ccco3)C3CC3)c2c1 ZINC001232866671 1132534045 /nfs/dbraw/zinc/53/40/45/1132534045.db2.gz CRHXXMGKTSLYGX-UHFFFAOYSA-N 0 1 282.343 3.631 20 0 CHADMN FC1(F)CCN(Cc2cncc(-c3ccccc3)c2)CC1 ZINC001232897032 1132537071 /nfs/dbraw/zinc/53/70/71/1132537071.db2.gz IYODTGIPFYRRNU-UHFFFAOYSA-N 0 1 288.341 3.980 20 0 CHADMN CC1(C)CN(Cc2cncc(-c3ccccc3)c2)C1 ZINC001232897813 1132539070 /nfs/dbraw/zinc/53/90/70/1132539070.db2.gz UVFUGDUUSDVZOS-UHFFFAOYSA-N 0 1 252.361 3.590 20 0 CHADMN c1ccn(-c2ccccc2CN2Cc3ccccc3C2)c1 ZINC001232909613 1132542180 /nfs/dbraw/zinc/54/21/80/1132542180.db2.gz SHMNXOJXVSUJHB-UHFFFAOYSA-N 0 1 274.367 3.993 20 0 CHADMN Cc1cccc(Nc2c(F)cccc2N2CCN(C)CC2)c1 ZINC001173811029 1132544392 /nfs/dbraw/zinc/54/43/92/1132544392.db2.gz REGJPWBZOSYXCT-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(F)c([O-])c2F)C[C@@H]1C ZINC001232931346 1132545373 /nfs/dbraw/zinc/54/53/73/1132545373.db2.gz MWLSLRHMQCCFPV-MNOVXSKESA-N 0 1 269.335 3.538 20 0 CHADMN COc1ncc(CN(C)Cc2cccs2)c2ccccc21 ZINC001232948995 1132550055 /nfs/dbraw/zinc/55/00/55/1132550055.db2.gz DNNPJPBSDDXTTD-UHFFFAOYSA-N 0 1 298.411 3.937 20 0 CHADMN [O-]c1cc(C[N@H+]2CCCc3ccccc3C2)cc(F)c1F ZINC001232973076 1132551631 /nfs/dbraw/zinc/55/16/31/1132551631.db2.gz LYRWISMBCGIDGC-UHFFFAOYSA-N 0 1 289.325 3.619 20 0 CHADMN CCOc1ccccc1Nc1cc(C)nn1-c1ccncc1 ZINC001173849845 1132552090 /nfs/dbraw/zinc/55/20/90/1132552090.db2.gz LGCAYOFVFDPPLA-UHFFFAOYSA-N 0 1 294.358 3.718 20 0 CHADMN Cn1cc2ccc(Nc3ccc(Cl)c(O)c3F)cc2n1 ZINC001214801272 1132553456 /nfs/dbraw/zinc/55/34/56/1132553456.db2.gz HGOWUPCXJDAITP-UHFFFAOYSA-N 0 1 291.713 3.815 20 0 CHADMN [O-]c1cc(C[N@H+]2CCCC3(CC(F)C3)CC2)cc(F)c1F ZINC001232976557 1132556190 /nfs/dbraw/zinc/55/61/90/1132556190.db2.gz YMDJHUAFZLGFGY-UHFFFAOYSA-N 0 1 299.336 3.775 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cnc(C)cc1C)CCC2 ZINC001233008456 1132563702 /nfs/dbraw/zinc/56/37/02/1132563702.db2.gz BLGWBCIIZVODIL-UHFFFAOYSA-N 0 1 296.414 3.655 20 0 CHADMN CCOC(=O)c1ccsc1CN1CC[C@H](C)C[C@H]1C ZINC001233020745 1132564537 /nfs/dbraw/zinc/56/45/37/1132564537.db2.gz QRSQFGYDHWXXNF-NWDGAFQWSA-N 0 1 281.421 3.545 20 0 CHADMN CCOC(=O)c1ccsc1CN(C)CC1CCCCC1 ZINC001233021070 1132566153 /nfs/dbraw/zinc/56/61/53/1132566153.db2.gz ACDSJRLMGPJALA-UHFFFAOYSA-N 0 1 295.448 3.937 20 0 CHADMN CCCCCC[C@@](C)(CCC)C(=O)NC12CCN(CC1)C2 ZINC001151416281 1132568417 /nfs/dbraw/zinc/56/84/17/1132568417.db2.gz OFQOJQKYKWTNMC-QGZVFWFLSA-N 0 1 294.483 3.728 20 0 CHADMN C[C@H]1CN(Cc2[nH]nc3cc(F)ccc32)Cc2ccccc21 ZINC001233119011 1132572522 /nfs/dbraw/zinc/57/25/22/1132572522.db2.gz GXEUVPWUJWRILP-LBPRGKRZSA-N 0 1 295.361 3.821 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1cc(O)ccc1Br ZINC000131848838 1132572780 /nfs/dbraw/zinc/57/27/80/1132572780.db2.gz PXXLTOSEOCHIFH-GHMZBOCLSA-N 0 1 298.224 3.918 20 0 CHADMN Cc1ccccc1CN(C)Cc1[nH]nc2cc(F)ccc21 ZINC001233125449 1132573058 /nfs/dbraw/zinc/57/30/58/1132573058.db2.gz WQBVLPAMWXLOJK-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN CC(C)=CCC/C(C)=C/CNC(=O)c1ccn2cncc2c1 ZINC001151905017 1132575689 /nfs/dbraw/zinc/57/56/89/1132575689.db2.gz YEWVNBSKVVHYOS-VIZOYTHASA-N 0 1 297.402 3.757 20 0 CHADMN CCOc1ncc(Cl)cc1CN1C[C@H](C)C[C@H](C)C1 ZINC001233173259 1132576888 /nfs/dbraw/zinc/57/68/88/1132576888.db2.gz MQXTVMDUNDTKOZ-TXEJJXNPSA-N 0 1 282.815 3.612 20 0 CHADMN Cc1cccc2nc(C(=O)Nc3ccc4c(c3)N=NC4)[nH]c21 ZINC001151991491 1132578019 /nfs/dbraw/zinc/57/80/19/1132578019.db2.gz CWEDXWNMQHSLOA-UHFFFAOYSA-N 0 1 291.314 3.721 20 0 CHADMN CC(C)(C)[C@H]1CC[C@@H](NC(=O)c2ccc3cncn3c2)CC1 ZINC001152208861 1132578381 /nfs/dbraw/zinc/57/83/81/1132578381.db2.gz DKDTZJKMJHVQBB-GASCZTMLSA-N 0 1 299.418 3.669 20 0 CHADMN O=C(Nc1cc2ccccc2s1)c1ccc2cncn2c1 ZINC001152187326 1132578815 /nfs/dbraw/zinc/57/88/15/1132578815.db2.gz HOBBUSHUQLQYNU-UHFFFAOYSA-N 0 1 293.351 3.801 20 0 CHADMN Clc1ccc(-c2ccc(CN3CC4(COC4)C3)cc2)cc1 ZINC001233217015 1132582921 /nfs/dbraw/zinc/58/29/21/1132582921.db2.gz JSZBPCJREKPQMH-UHFFFAOYSA-N 0 1 299.801 3.839 20 0 CHADMN COc1cc(Br)cc(CN2CCCC[C@H]2C)c1 ZINC001233214110 1132583006 /nfs/dbraw/zinc/58/30/06/1132583006.db2.gz WDQVFLFCJBXKDV-LLVKDONJSA-N 0 1 298.224 3.832 20 0 CHADMN Cc1cccc(F)c1NC(=O)c1ccc(Cl)c(O)c1 ZINC001152725607 1132586031 /nfs/dbraw/zinc/58/60/31/1132586031.db2.gz FZSGJASDSVFYIT-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN Cc1ccc(CN2CCSc3ccccc3C2)cc1O ZINC001233234780 1132586690 /nfs/dbraw/zinc/58/66/90/1132586690.db2.gz INGUVHOTXMAMAV-UHFFFAOYSA-N 0 1 285.412 3.809 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(Cl)ccc2C)cn1 ZINC001233250840 1132588519 /nfs/dbraw/zinc/58/85/19/1132588519.db2.gz BNZRCVONCFFRCD-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CC[C@@H](C)C[C@@H](C)NC(=O)c1cnc2[nH]ccc(Cl)c1-2 ZINC001153106007 1132590790 /nfs/dbraw/zinc/59/07/90/1132590790.db2.gz MQLWSQAIKNDIQO-NXEZZACHSA-N 0 1 293.798 3.771 20 0 CHADMN F[C@@H]1C[N@H+](Cc2ccc([S-])cc2)CCCC1(F)F ZINC001233259480 1132591751 /nfs/dbraw/zinc/59/17/51/1132591751.db2.gz UNRFAJHHKPAGBZ-GFCCVEGCSA-N 0 1 275.339 3.545 20 0 CHADMN F[C@@H]1C[N@@H+](Cc2ccc([S-])cc2)CCCC1(F)F ZINC001233259480 1132591753 /nfs/dbraw/zinc/59/17/53/1132591753.db2.gz UNRFAJHHKPAGBZ-GFCCVEGCSA-N 0 1 275.339 3.545 20 0 CHADMN COc1cccc([C@H]2CC[N@@H+](Cc3ccc([S-])cc3)C2)c1 ZINC001233262762 1132592552 /nfs/dbraw/zinc/59/25/52/1132592552.db2.gz UCTFNPJXBFPRTP-INIZCTEOSA-N 0 1 299.439 3.973 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC001233329995 1132601754 /nfs/dbraw/zinc/60/17/54/1132601754.db2.gz QVXINKAYNFHLOA-IAGOWNOFSA-N 0 1 295.426 3.887 20 0 CHADMN COc1cc(F)c(CN2CC[C@@H](C)C[C@H]2C)cc1F ZINC001233343670 1132606699 /nfs/dbraw/zinc/60/66/99/1132606699.db2.gz VZGRPOFSKRPRRW-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN Clc1cccc2ncc(C[N@H+]3CC[C@H]4CCC[C@@H]4C3)n21 ZINC001233356461 1132609349 /nfs/dbraw/zinc/60/93/49/1132609349.db2.gz MXPFXIAMNAUNML-CHWSQXEVSA-N 0 1 289.810 3.610 20 0 CHADMN Clc1cccc2ncc(CN3CC[C@H]4CCC[C@@H]4C3)n21 ZINC001233356461 1132609353 /nfs/dbraw/zinc/60/93/53/1132609353.db2.gz MXPFXIAMNAUNML-CHWSQXEVSA-N 0 1 289.810 3.610 20 0 CHADMN C[C@]1(F)CCCN(Cc2cn3ccc(Cl)cc3n2)CC1 ZINC001233388948 1132613284 /nfs/dbraw/zinc/61/32/84/1132613284.db2.gz SNHYMHJIQMGHTN-HNNXBMFYSA-N 0 1 295.789 3.702 20 0 CHADMN Cc1cc(Nc2ccncc2)cc(C)c1Br ZINC001173882674 1132623231 /nfs/dbraw/zinc/62/32/31/1132623231.db2.gz OIKQOPVADIXXAR-UHFFFAOYSA-N 0 1 277.165 3.626 20 0 CHADMN Fc1cc(Cl)c(Nc2ccncc2)c(Cl)c1 ZINC001173882357 1132623620 /nfs/dbraw/zinc/62/36/20/1132623620.db2.gz GMAAKXGSZPLJEP-UHFFFAOYSA-N 0 1 257.095 3.693 20 0 CHADMN Clc1ccn2cc(CN3CCC4(CCC4)CC3)nc2c1 ZINC001233389083 1132614843 /nfs/dbraw/zinc/61/48/43/1132614843.db2.gz XLGGFQOTBJEJFX-UHFFFAOYSA-N 0 1 289.810 3.754 20 0 CHADMN COc1ccc(CN2CCC(C)(C)CC2)c(Cl)c1O ZINC001233399796 1132615899 /nfs/dbraw/zinc/61/58/99/1132615899.db2.gz JXSLRVWVSJPLPO-UHFFFAOYSA-N 0 1 283.799 3.676 20 0 CHADMN COc1ccc(CN2CC[C@@H]3CCC[C@H]3C2)c(Cl)c1O ZINC001233398468 1132616282 /nfs/dbraw/zinc/61/62/82/1132616282.db2.gz MTVMNGYGCWIACJ-RYUDHWBXSA-N 0 1 295.810 3.676 20 0 CHADMN COc1ccc(CN2[C@H](C)CCC[C@@H]2C)c(Cl)c1O ZINC001233396963 1132616517 /nfs/dbraw/zinc/61/65/17/1132616517.db2.gz FSCKPOUCUYTHMD-PHIMTYICSA-N 0 1 283.799 3.817 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cn2cccc(Cl)c2n1 ZINC001233422514 1132621071 /nfs/dbraw/zinc/62/10/71/1132621071.db2.gz KKCIFLJXSYHJIJ-GFCCVEGCSA-N 0 1 277.799 3.752 20 0 CHADMN CCCCCN(C)Cc1cn2cccc(Cl)c2n1 ZINC001233419671 1132621683 /nfs/dbraw/zinc/62/16/83/1132621683.db2.gz IALGNOZNFAOAQO-UHFFFAOYSA-N 0 1 265.788 3.610 20 0 CHADMN CC(C)(C)OC(=O)n1ccc(CN2CCC[C@@H](F)CC2)c1 ZINC001233429838 1132622070 /nfs/dbraw/zinc/62/20/70/1132622070.db2.gz PPDZDQHKIDVDOT-CQSZACIVSA-N 0 1 296.386 3.595 20 0 CHADMN FC(F)(F)c1cc(Nc2ccncc2)c2ccccc2n1 ZINC001173881303 1132623035 /nfs/dbraw/zinc/62/30/35/1132623035.db2.gz LYEXCMGSOICOMJ-UHFFFAOYSA-N 0 1 289.260 3.814 20 0 CHADMN Clc1cc(Cl)c(Nc2ccncc2)nc1Cl ZINC001173882007 1132623111 /nfs/dbraw/zinc/62/31/11/1132623111.db2.gz GVUNZLUDVLJLMX-UHFFFAOYSA-N 0 1 274.538 3.602 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1Nc1ccncc1 ZINC001173882836 1132623314 /nfs/dbraw/zinc/62/33/14/1132623314.db2.gz WVFJTZURLZYILI-UHFFFAOYSA-N 0 1 252.239 3.574 20 0 CHADMN FC(F)(F)c1cc(Cl)cc(Nc2ccncc2)c1 ZINC001173882727 1132623365 /nfs/dbraw/zinc/62/33/65/1132623365.db2.gz PVFMXVKNLODTCX-UHFFFAOYSA-N 0 1 272.657 3.919 20 0 CHADMN Nc1ccc(Oc2ccccc2)cc1Nc1ccncc1 ZINC001173883069 1132623855 /nfs/dbraw/zinc/62/38/55/1132623855.db2.gz FHKZKWPUJLREHY-UHFFFAOYSA-N 0 1 277.327 3.622 20 0 CHADMN Clc1cc(-c2ccccc2)cc(Nc2ccncc2)n1 ZINC001173882930 1132623946 /nfs/dbraw/zinc/62/39/46/1132623946.db2.gz WUVMSWCPTCZPEN-UHFFFAOYSA-N 0 1 281.746 3.963 20 0 CHADMN Clc1ccc(-c2ccccc2Nc2ccncc2)nc1 ZINC001173884982 1132624613 /nfs/dbraw/zinc/62/46/13/1132624613.db2.gz AXADAXPVXXQZNS-UHFFFAOYSA-N 0 1 281.746 3.963 20 0 CHADMN Cc1cc(Cl)c(Cl)cc1Nc1ccncc1 ZINC001173884364 1132625177 /nfs/dbraw/zinc/62/51/77/1132625177.db2.gz PBMKMWRCAJHIMS-UHFFFAOYSA-N 0 1 253.132 3.862 20 0 CHADMN Cc1c(NC(=O)OC(C)(C)C)cccc1Nc1ccncc1 ZINC001173885155 1132625395 /nfs/dbraw/zinc/62/53/95/1132625395.db2.gz LTPRBFJZLBEFOM-UHFFFAOYSA-N 0 1 299.374 3.903 20 0 CHADMN COc1ccc(Nc2cc(C)nc3ccccc32)c(OC)c1 ZINC001173888946 1132627659 /nfs/dbraw/zinc/62/76/59/1132627659.db2.gz QGXIEGFVAQMJKL-UHFFFAOYSA-N 0 1 294.354 3.726 20 0 CHADMN CN(Cc1ccsc1Br)C[C@@H]1CC1(C)C ZINC001233481592 1132627958 /nfs/dbraw/zinc/62/79/58/1132627958.db2.gz WJGHICRTRZFAAY-JTQLQIEISA-N 0 1 288.254 3.989 20 0 CHADMN Cc1cc(C)c(CNc2nccc3cccc(C)c32)c(=O)[nH]1 ZINC001155136309 1132642595 /nfs/dbraw/zinc/64/25/95/1132642595.db2.gz LOPMGQMNRWUTQX-UHFFFAOYSA-N 0 1 293.370 3.873 20 0 CHADMN Cc1ccc(CNc2nc(C)cc3ccccc32)cn1 ZINC001155321965 1132653161 /nfs/dbraw/zinc/65/31/61/1132653161.db2.gz LMBREOODFZERJN-UHFFFAOYSA-N 0 1 263.344 3.859 20 0 CHADMN COc1cccc(Cl)c1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001233671766 1132660329 /nfs/dbraw/zinc/66/03/29/1132660329.db2.gz SJYVUPJNHANGFA-GFCCVEGCSA-N 0 1 283.799 3.600 20 0 CHADMN COc1cccc(Cl)c1O[C@@H]1CCCN(C(C)C)C1 ZINC001233671766 1132660331 /nfs/dbraw/zinc/66/03/31/1132660331.db2.gz SJYVUPJNHANGFA-GFCCVEGCSA-N 0 1 283.799 3.600 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1ncccc1OC ZINC001206656252 1132661601 /nfs/dbraw/zinc/66/16/01/1132661601.db2.gz IZHWMIMFNACFTN-QGZVFWFLSA-N 0 1 282.387 3.600 20 0 CHADMN Cc1cc(CN2CCOC3(CCCCC3)C2)sc1C ZINC001233693756 1132665055 /nfs/dbraw/zinc/66/50/55/1132665055.db2.gz YOAKPJJSTFHTEW-UHFFFAOYSA-N 0 1 279.449 3.900 20 0 CHADMN COc1ccc2cnc(NCCc3cccc(O)c3)cc2c1 ZINC001155866587 1132667470 /nfs/dbraw/zinc/66/74/70/1132667470.db2.gz SAAMKIDCBPDQLI-UHFFFAOYSA-N 0 1 294.354 3.604 20 0 CHADMN Cc1cc(C)cc(CNc2nc(C)cc(N3CCCC3)n2)c1 ZINC001155898301 1132671241 /nfs/dbraw/zinc/67/12/41/1132671241.db2.gz MJKXUOKVZMLCNN-UHFFFAOYSA-N 0 1 296.418 3.614 20 0 CHADMN COc1ccnc(N[C@H](c2ccccc2)c2ccncc2)c1 ZINC001156090313 1132680477 /nfs/dbraw/zinc/68/04/77/1132680477.db2.gz JDHMYASGFQDKAC-GOSISDBHSA-N 0 1 291.354 3.687 20 0 CHADMN COc1ccc(CCCNc2ccc3c(n2)CCC3)cc1 ZINC001156166564 1132684849 /nfs/dbraw/zinc/68/48/49/1132684849.db2.gz HFUMKQCYPAYVFT-UHFFFAOYSA-N 0 1 282.387 3.624 20 0 CHADMN Cc1cccc2ccnc(NC[C@H]3CCCCO3)c12 ZINC001156381598 1132690725 /nfs/dbraw/zinc/69/07/25/1132690725.db2.gz SNFMUOFTQDPNGL-CQSZACIVSA-N 0 1 256.349 3.524 20 0 CHADMN CC(CC(=O)OC(C)C)=Nc1nccc2c(F)cccc21 ZINC001156514455 1132700413 /nfs/dbraw/zinc/70/04/13/1132700413.db2.gz TXECKFIXXGDUSP-LUAWRHEFSA-N 0 1 288.322 3.641 20 0 CHADMN CCc1ccc(C)nc1N[C@H]1C[C@H](OC(C)C)C1(C)C ZINC001206661333 1132710166 /nfs/dbraw/zinc/71/01/66/1132710166.db2.gz UBJBZVCTVOMMIL-GJZGRUSLSA-N 0 1 276.424 3.956 20 0 CHADMN Cc1cc(C)nc(Nc2ccc3c(ccn3C)c2)c1 ZINC001174096004 1132713944 /nfs/dbraw/zinc/71/39/44/1132713944.db2.gz FUWRJOWAPHCAAI-UHFFFAOYSA-N 0 1 251.333 3.934 20 0 CHADMN CC(C)c1ncc(CNC(=O)[C@H](c2ccccc2)C(C)C)[nH]1 ZINC001157119574 1132722651 /nfs/dbraw/zinc/72/26/51/1132722651.db2.gz NABGYERJXXIXJC-INIZCTEOSA-N 0 1 299.418 3.589 20 0 CHADMN CC[C@@H](CC1CCCC1)C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001157120268 1132722703 /nfs/dbraw/zinc/72/27/03/1132722703.db2.gz TUMISJMPMZFIFK-AWEZNQCLSA-N 0 1 291.439 3.756 20 0 CHADMN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc3cncn3c2)C1(C)C ZINC001157388461 1132731696 /nfs/dbraw/zinc/73/16/96/1132731696.db2.gz FARBNHUAWPROHS-LSDHHAIUSA-N 0 1 283.375 3.511 20 0 CHADMN Cc1cnc(N[C@@H](c2ccccn2)C(F)(F)F)cc1C ZINC001157686657 1132739091 /nfs/dbraw/zinc/73/90/91/1132739091.db2.gz OJGVSNAYMBOBKJ-ZDUSSCGKSA-N 0 1 281.281 3.809 20 0 CHADMN CC[C@H](C)C[C@H](C)Nc1nc[nH]c2nc(=S)sc1-2 ZINC001157887480 1132754011 /nfs/dbraw/zinc/75/40/11/1132754011.db2.gz MPFPSYSLKNZNLJ-YUMQZZPRSA-N 0 1 282.438 3.612 20 0 CHADMN CCCCCC(C)(C)C(=O)N1CCN([C@@H](C)CC)CC1 ZINC001158144338 1132764076 /nfs/dbraw/zinc/76/40/76/1132764076.db2.gz GJZNIAVJLKCOSA-HNNXBMFYSA-N 0 1 282.472 3.536 20 0 CHADMN Oc1ccc(C(F)(F)F)cc1Nc1ccc2nccn2c1 ZINC001174279094 1132768529 /nfs/dbraw/zinc/76/85/29/1132768529.db2.gz NDCKYPNQNGJJBZ-UHFFFAOYSA-N 0 1 293.248 3.802 20 0 CHADMN CC(=O)c1cccc(Nc2ccc3nccn3c2)c1C ZINC001174279713 1132769408 /nfs/dbraw/zinc/76/94/08/1132769408.db2.gz HXNMCDIXOZTJOB-UHFFFAOYSA-N 0 1 265.316 3.589 20 0 CHADMN Cc1ccc(Nc2ccncc2Oc2ccccc2)cn1 ZINC001174280298 1132769710 /nfs/dbraw/zinc/76/97/10/1132769710.db2.gz BMGOVEYFGDEGAU-UHFFFAOYSA-N 0 1 277.327 3.743 20 0 CHADMN FC1(F)CCC[C@@H](Nc2cc(Cl)nc3[nH]cnc32)C1 ZINC001158332491 1132770527 /nfs/dbraw/zinc/77/05/27/1132770527.db2.gz JIXLFRUDHASROP-SSDOTTSWSA-N 0 1 286.713 3.601 20 0 CHADMN COc1cncc(CCNc2nccc3cccc(C)c32)c1 ZINC001158386727 1132773825 /nfs/dbraw/zinc/77/38/25/1132773825.db2.gz QXSSCEKBHDZVGV-UHFFFAOYSA-N 0 1 293.370 3.601 20 0 CHADMN CCC[C@H](NC(=O)c1cc(F)cc(F)c1O)C(C)(C)C ZINC001158438218 1132776986 /nfs/dbraw/zinc/77/69/86/1132776986.db2.gz NCXUQWSPWXFXCM-LBPRGKRZSA-N 0 1 285.334 3.615 20 0 CHADMN CC(C)OC(=O)c1ccccc1Nc1ccc2nccn2c1 ZINC001174276548 1132784010 /nfs/dbraw/zinc/78/40/10/1132784010.db2.gz GLAYFIDNBDFAFD-UHFFFAOYSA-N 0 1 295.342 3.643 20 0 CHADMN c1cn2cc(Nc3ccc(-c4ccncn4)cc3)ccc2n1 ZINC001174278543 1132785158 /nfs/dbraw/zinc/78/51/58/1132785158.db2.gz YLZVUBGKISVXCB-UHFFFAOYSA-N 0 1 287.326 3.535 20 0 CHADMN Cc1ccc(Nc2ccc3nccn3c2)c2cccnc12 ZINC001174278352 1132785845 /nfs/dbraw/zinc/78/58/45/1132785845.db2.gz ARHANGQCVLVRJL-UHFFFAOYSA-N 0 1 274.327 3.935 20 0 CHADMN Clc1cc(Nc2ccc3nccn3c2)c(Cl)cn1 ZINC001174278678 1132786036 /nfs/dbraw/zinc/78/60/36/1132786036.db2.gz POOTYXUHZFSFSR-UHFFFAOYSA-N 0 1 279.130 3.780 20 0 CHADMN CC(=O)c1ccc(Cl)c(Nc2ccc3nccn3c2)c1 ZINC001174277953 1132786055 /nfs/dbraw/zinc/78/60/55/1132786055.db2.gz PAEVEDKDXSSHPD-UHFFFAOYSA-N 0 1 285.734 3.934 20 0 CHADMN FC(F)(F)Oc1cccc(Nc2ccc3nccn3c2)c1 ZINC001174276836 1132786142 /nfs/dbraw/zinc/78/61/42/1132786142.db2.gz RTITXGXUWOZZAY-UHFFFAOYSA-N 0 1 293.248 3.977 20 0 CHADMN c1cn2cc(Nc3cccc4ccncc43)ccc2n1 ZINC001174278396 1132786322 /nfs/dbraw/zinc/78/63/22/1132786322.db2.gz CDRXFMPHDYWFME-UHFFFAOYSA-N 0 1 260.300 3.626 20 0 CHADMN Cn1nc(C(F)(F)F)cc1Nc1ccnc(C(C)(C)C)c1 ZINC001174324637 1132792601 /nfs/dbraw/zinc/79/26/01/1132792601.db2.gz BZNLGAFGAJIWJT-UHFFFAOYSA-N 0 1 298.312 3.875 20 0 CHADMN Cc1ccc(N)c(Nc2cccc3[nH]ncc32)c1C ZINC001174344118 1132800690 /nfs/dbraw/zinc/80/06/90/1132800690.db2.gz NHLQJNRQHJHVEL-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN c1nn(Cc2ccccc2)cc1Nc1cccc2[nH]ncc21 ZINC001174343573 1132802107 /nfs/dbraw/zinc/80/21/07/1132802107.db2.gz WMKDWRRHPOGQPL-UHFFFAOYSA-N 0 1 289.342 3.551 20 0 CHADMN COc1cccc2cc(Nc3cccc4[nH]ncc43)cnc21 ZINC001174343814 1132802403 /nfs/dbraw/zinc/80/24/03/1132802403.db2.gz ZLZPLNVIFDOPEI-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN CC(=O)c1cccc(Nc2cccc3[nH]ncc32)c1 ZINC001174344348 1132802539 /nfs/dbraw/zinc/80/25/39/1132802539.db2.gz VVNRHQCPIYKZEB-UHFFFAOYSA-N 0 1 251.289 3.509 20 0 CHADMN CC(=O)c1ccnc(Cl)c1Nc1cccc2[nH]ncc21 ZINC001174343838 1132802575 /nfs/dbraw/zinc/80/25/75/1132802575.db2.gz QJXDNQAJKJYFEG-UHFFFAOYSA-N 0 1 286.722 3.558 20 0 CHADMN Fc1cc(Nc2cccc3[nH]ncc32)c(F)c(F)c1F ZINC001174343918 1132802594 /nfs/dbraw/zinc/80/25/94/1132802594.db2.gz GOIBHDQZDRHAPQ-UHFFFAOYSA-N 0 1 281.212 3.863 20 0 CHADMN COc1c(F)cc(Nc2cccc3[nH]ncc32)cc1F ZINC001174345627 1132803106 /nfs/dbraw/zinc/80/31/06/1132803106.db2.gz JUKUVBDMXFEMBT-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN Fc1ncc(C(F)(F)F)cc1Nc1cccc2[nH]ncc21 ZINC001174344900 1132803146 /nfs/dbraw/zinc/80/31/46/1132803146.db2.gz SPGNYVGJUKUAFT-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN COc1cc(Nc2cccc3[nH]ncc32)cc2cccnc21 ZINC001174345366 1132803196 /nfs/dbraw/zinc/80/31/96/1132803196.db2.gz WTKLYNTYJKSAAU-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN CO[C@H]1CCOc2c(Nc3cccc4[nH]ncc43)cccc21 ZINC001174345385 1132803300 /nfs/dbraw/zinc/80/33/00/1132803300.db2.gz XPMMUSNFZAWAKV-INIZCTEOSA-N 0 1 295.342 3.777 20 0 CHADMN CCOC(=O)c1ccc(C)c(Nc2cccc3[nH]ncc32)c1 ZINC001174345899 1132803374 /nfs/dbraw/zinc/80/33/74/1132803374.db2.gz ZZMVRNDEDAQQMT-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN CC(=O)c1c(F)cccc1Nc1cccc2[nH]ncc21 ZINC001174345320 1132803461 /nfs/dbraw/zinc/80/34/61/1132803461.db2.gz TZBHARAQMAZXKT-UHFFFAOYSA-N 0 1 269.279 3.648 20 0 CHADMN COC(=O)c1c(C)ccc(Nc2cccc3[nH]ncc32)c1F ZINC001174347797 1132806558 /nfs/dbraw/zinc/80/65/58/1132806558.db2.gz MCQRTGKCPXBLIX-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1cccnc1NC1=CCCN(Cc2ccccc2)C1 ZINC001174392678 1132808370 /nfs/dbraw/zinc/80/83/70/1132808370.db2.gz HDRQNJAABXIVQV-UHFFFAOYSA-N 0 1 279.387 3.592 20 0 CHADMN Cc1ncc(C2CC2)cc1Nc1cc([C@H]2CCCCN2)no1 ZINC001159313430 1132829083 /nfs/dbraw/zinc/82/90/83/1132829083.db2.gz NQVKBMPDYRYKRL-CQSZACIVSA-N 0 1 298.390 3.814 20 0 CHADMN COc1cc(C)cc(Nc2cc([C@@H]3CCCCN3)no2)c1 ZINC001159313953 1132829826 /nfs/dbraw/zinc/82/98/26/1132829826.db2.gz WRZNSZXJNHOQEK-AWEZNQCLSA-N 0 1 287.363 3.550 20 0 CHADMN Cc1c(F)ccc(Nc2cc([C@H]3CCCCN3)no2)c1F ZINC001159312050 1132830406 /nfs/dbraw/zinc/83/04/06/1132830406.db2.gz VIBYKADTAGOIIE-LLVKDONJSA-N 0 1 293.317 3.819 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc2c(c1)CCCN2 ZINC001159372143 1132834679 /nfs/dbraw/zinc/83/46/79/1132834679.db2.gz QZMVGJWCVZEJNQ-UHFFFAOYSA-N 0 1 296.349 3.884 20 0 CHADMN Cc1cc(-n2c(N)nc3ccc(C)cc32)c(C)s1 ZINC001174420384 1132836831 /nfs/dbraw/zinc/83/68/31/1132836831.db2.gz CQSWGLQRVBGXIG-UHFFFAOYSA-N 0 1 257.362 3.594 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc4occc4c3)c2c1 ZINC001174416302 1132855106 /nfs/dbraw/zinc/85/51/06/1132855106.db2.gz GIWUFPLLYNYHBN-UHFFFAOYSA-N 0 1 263.300 3.662 20 0 CHADMN COc1ccc(F)c(Nc2cccc3[nH]ncc32)c1F ZINC001159574241 1132864202 /nfs/dbraw/zinc/86/42/02/1132864202.db2.gz NNMNDOGFJCJLDF-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN FC(F)(F)c1ccc(Nc2ccc3c[nH]nc3c2)cn1 ZINC001174498853 1132864829 /nfs/dbraw/zinc/86/48/29/1132864829.db2.gz KQNLKOJEQJSYJD-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN COc1ccc(Nc2cccc3[nH]ncc32)c(F)c1F ZINC001159573925 1132864741 /nfs/dbraw/zinc/86/47/41/1132864741.db2.gz CUXWJVDTYXMZCD-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN COc1c(F)ccc(F)c1Nc1cccc2[nH]ncc21 ZINC001159574871 1132865682 /nfs/dbraw/zinc/86/56/82/1132865682.db2.gz ZPCVYCWXOJKSMT-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN Cc1c(CO)ccc(Nc2cccc3[nH]ncc32)c1Cl ZINC001159574308 1132866101 /nfs/dbraw/zinc/86/61/01/1132866101.db2.gz AYKPCSLAENPQCE-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN CCOC(=O)c1ccc(Nc2ccc3c[nH]nc3c2)c(F)c1 ZINC001174499843 1132873956 /nfs/dbraw/zinc/87/39/56/1132873956.db2.gz BZMVIJXDPYXWRC-UHFFFAOYSA-N 0 1 299.305 3.622 20 0 CHADMN COc1ccc(Nc2ccc3c[nH]nc3c2)cc1Cl ZINC001174499913 1132877595 /nfs/dbraw/zinc/87/75/95/1132877595.db2.gz GAGQVVRAWNIHDX-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1c(N)cccc1Cl ZINC001159620575 1132878322 /nfs/dbraw/zinc/87/83/22/1132878322.db2.gz RQACDTMQGMEJRA-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN COc1cc(Cl)cc(Nc2ccc3c[nH]nc3c2)c1 ZINC001159661792 1132884745 /nfs/dbraw/zinc/88/47/45/1132884745.db2.gz GHYQLBAHSKVXHX-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN Cc1cc(F)c(Nc2ccc3c[nH]nc3c2)cc1F ZINC001159662842 1132887468 /nfs/dbraw/zinc/88/74/68/1132887468.db2.gz HQHBKCHHISQZLM-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1cc(F)cc(Nc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001174529219 1132889918 /nfs/dbraw/zinc/88/99/18/1132889918.db2.gz UAQHLIJAFZKPRC-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN Cc1cnccc1Nc1ncc(-c2ccccc2)s1 ZINC001174536041 1132894747 /nfs/dbraw/zinc/89/47/47/1132894747.db2.gz IJUQCVRQHOVNKV-UHFFFAOYSA-N 0 1 267.357 3.679 20 0 CHADMN Cc1cc(Cl)c(Nc2ccc3c[nH]nc3c2)cc1O ZINC001174501302 1132902567 /nfs/dbraw/zinc/90/25/67/1132902567.db2.gz LNVAILOINXWXDF-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN O=c1[nH]ccc2c(Nc3ccc4c[nH]nc4c3)cccc12 ZINC001174501966 1132903277 /nfs/dbraw/zinc/90/32/77/1132903277.db2.gz PWKAFFSDRSTYAG-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN Nc1ccc(Nc2ccc3c[nH]nc3c2)c(Cl)c1 ZINC001174501679 1132903313 /nfs/dbraw/zinc/90/33/13/1132903313.db2.gz FIRBSONVWOGAGW-UHFFFAOYSA-N 0 1 258.712 3.542 20 0 CHADMN O=C1CCCc2ccc(Nc3ccc4c[nH]nc4c3)cc21 ZINC001174501903 1132903471 /nfs/dbraw/zinc/90/34/71/1132903471.db2.gz MUAKXZXHFDKVFD-UHFFFAOYSA-N 0 1 277.327 3.826 20 0 CHADMN Cc1cnc(N[C@@H](c2ccccc2)C(F)(F)F)c(N)c1 ZINC001159773356 1132905904 /nfs/dbraw/zinc/90/59/04/1132905904.db2.gz VEGZZSYGTXUPPV-LBPRGKRZSA-N 0 1 281.281 3.688 20 0 CHADMN CC(C)(C)N1CC[C@@H]1C(=O)Nc1cccc(C2CCC2)c1 ZINC001159936094 1132926584 /nfs/dbraw/zinc/92/65/84/1132926584.db2.gz NYMJLRVJJNLIAT-MRXNPFEDSA-N 0 1 286.419 3.765 20 0 CHADMN CC[C@@H](Nc1ncc(C)cc1N)c1ccccc1C ZINC001160038106 1132937566 /nfs/dbraw/zinc/93/75/66/1132937566.db2.gz IRRMLVACVRNMQK-OAHLLOKOSA-N 0 1 255.365 3.844 20 0 CHADMN CC[C@H](C)C[C@H](C)NC(=O)c1cc2c(Cl)[nH]ccc-2n1 ZINC001174600196 1132938969 /nfs/dbraw/zinc/93/89/69/1132938969.db2.gz HNLRSEKPYYHEPA-UWVGGRQHSA-N 0 1 293.798 3.771 20 0 CHADMN CC(C)Oc1ccnc(NCc2cccc3ncoc32)c1 ZINC001160252487 1132951963 /nfs/dbraw/zinc/95/19/63/1132951963.db2.gz QGZLGNJIWCVDFQ-UHFFFAOYSA-N 0 1 283.331 3.622 20 0 CHADMN Cc1ccc(N)c(Nc2cc3cn[nH]c3cc2C)c1 ZINC001160335942 1132963692 /nfs/dbraw/zinc/96/36/92/1132963692.db2.gz IUVGMDNPPNBHTL-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN COC(=O)C[C@H](Nc1ccc(C)c(C)n1)C1CCCCC1 ZINC001160557204 1132974684 /nfs/dbraw/zinc/97/46/84/1132974684.db2.gz IAAOQNBRAGUFQG-HNNXBMFYSA-N 0 1 290.407 3.622 20 0 CHADMN O=C(Nc1ccc(F)c(F)c1O)c1ccccc1C(F)F ZINC001161074444 1132993481 /nfs/dbraw/zinc/99/34/81/1132993481.db2.gz WWSVVXFPAXFEAK-UHFFFAOYSA-N 0 1 299.223 3.860 20 0 CHADMN COc1cc2cnc(NC3CC4(CCC4)C3)cc2cc1OC ZINC001161445950 1133003265 /nfs/dbraw/zinc/00/32/65/1133003265.db2.gz KEPZLUQLFXXOMR-UHFFFAOYSA-N 0 1 298.386 3.997 20 0 CHADMN CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)c(O)c1 ZINC001161553842 1133004891 /nfs/dbraw/zinc/00/48/91/1133004891.db2.gz OKXGBRNBXGZPNM-YPMHNXCESA-N 0 1 295.810 3.990 20 0 CHADMN Cc1cc2ccccc2c(NCc2cncn2C(C)C)n1 ZINC001161565728 1133005943 /nfs/dbraw/zinc/00/59/43/1133005943.db2.gz TVUGOZHGHVULIW-UHFFFAOYSA-N 0 1 280.375 3.933 20 0 CHADMN CC(C)(C)CNc1cnc2cccc(Br)n12 ZINC001161641568 1133012799 /nfs/dbraw/zinc/01/27/99/1133012799.db2.gz JREOQLKIOSSNTP-UHFFFAOYSA-N 0 1 282.185 3.555 20 0 CHADMN Cc1nc2cncc(N[C@H](c3ccccc3)C3CC3)c2[nH]1 ZINC001161963095 1133043702 /nfs/dbraw/zinc/04/37/02/1133043702.db2.gz UNQFXDZXCGXXFD-MRXNPFEDSA-N 0 1 278.359 3.830 20 0 CHADMN Cc1ccc(C)c(NCc2cccc(OC(F)F)c2)n1 ZINC001161984155 1133047147 /nfs/dbraw/zinc/04/71/47/1133047147.db2.gz SDJRBQQMKKUHPF-UHFFFAOYSA-N 0 1 278.302 3.912 20 0 CHADMN FC1CC(Nc2cc(OCc3ccccc3)ccn2)C1 ZINC001162210055 1133059682 /nfs/dbraw/zinc/05/96/82/1133059682.db2.gz SULIIUDWHHXZPR-UHFFFAOYSA-N 0 1 272.323 3.573 20 0 CHADMN CC(C)(C)N1CC(Nc2nccc3cccc(Cl)c32)C1 ZINC001162220798 1133060872 /nfs/dbraw/zinc/06/08/72/1133060872.db2.gz AQNMXIGGBBFCBD-UHFFFAOYSA-N 0 1 289.810 3.783 20 0 CHADMN C[C@H]1CCC[C@H](CNc2ccncc2C(F)(F)F)C1 ZINC001162266530 1133065474 /nfs/dbraw/zinc/06/54/74/1133065474.db2.gz DTFOVXSUTOURTI-QWRGUYRKSA-N 0 1 272.314 3.761 20 0 CHADMN Cc1cccc2ccnc(NCc3cc4ccccn4n3)c12 ZINC001162289314 1133067476 /nfs/dbraw/zinc/06/74/76/1133067476.db2.gz NZYOOUOSTCUTEK-UHFFFAOYSA-N 0 1 288.354 3.803 20 0 CHADMN Cc1cnc(NCc2cn(C)c3ccccc23)c2[nH]ccc21 ZINC001162828767 1133115687 /nfs/dbraw/zinc/11/56/87/1133115687.db2.gz JIBHFHCAZFLIFX-UHFFFAOYSA-N 0 1 290.370 3.975 20 0 CHADMN Cc1c(=O)[nH]n(-c2ccccc2)c1Nc1cc(C)c(C)cn1 ZINC001163115785 1133130466 /nfs/dbraw/zinc/13/04/66/1133130466.db2.gz IRAJWWYAVCOOPK-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN CCOc1ccnc(N[C@H](C)c2cccc(F)c2OC)c1 ZINC001163334702 1133142590 /nfs/dbraw/zinc/14/25/90/1133142590.db2.gz JSDUIBVYMVFGCG-LLVKDONJSA-N 0 1 290.338 3.801 20 0 CHADMN COc1cnccc1[C@H](Nc1ccc2c(n1)CCC2)C1CC1 ZINC001163397837 1133147899 /nfs/dbraw/zinc/14/78/99/1133147899.db2.gz SAHPHFVDPAUMAA-GOSISDBHSA-N 0 1 295.386 3.537 20 0 CHADMN Cc1ccc(Cl)c(CNc2ccnc(C)c2F)c1F ZINC001163661115 1133164703 /nfs/dbraw/zinc/16/47/03/1133164703.db2.gz YNJQXTMBIIWIGU-UHFFFAOYSA-N 0 1 282.721 3.664 20 0 CHADMN CC(C)(Cc1ccc(F)cc1)Nc1cccn2cncc12 ZINC001163853961 1133180136 /nfs/dbraw/zinc/18/01/36/1133180136.db2.gz GWZZPBOSAFABNF-UHFFFAOYSA-N 0 1 283.350 3.907 20 0 CHADMN CSCCCNc1nccc(NC(=O)C(C)(C)C)c1C ZINC001163871031 1133181374 /nfs/dbraw/zinc/18/13/74/1133181374.db2.gz GBFUWEJKXXYDNZ-UHFFFAOYSA-N 0 1 295.452 3.540 20 0 CHADMN CC(C)Oc1ccnc(N2CC[C@H](C)C(F)(F)CC2)c1 ZINC001164115224 1133198857 /nfs/dbraw/zinc/19/88/57/1133198857.db2.gz JSILOKSWIBNLTP-LBPRGKRZSA-N 0 1 284.350 3.740 20 0 CHADMN COc1ccc(CCCNc2ccnc3c2ccn3C)cc1 ZINC001164194402 1133205445 /nfs/dbraw/zinc/20/54/45/1133205445.db2.gz ADVARCXUOQYMJL-UHFFFAOYSA-N 0 1 295.386 3.627 20 0 CHADMN Cc1cc2nccn2cc1NCc1cnc2ccccc2c1 ZINC001164203558 1133207111 /nfs/dbraw/zinc/20/71/11/1133207111.db2.gz BWNMTZLHJRUKEW-UHFFFAOYSA-N 0 1 288.354 3.803 20 0 CHADMN Fc1cc2[nH]cnc2cc1NCc1cnc2ccccc2c1 ZINC001164206678 1133207709 /nfs/dbraw/zinc/20/77/09/1133207709.db2.gz XKZOKNLCTRYOMP-UHFFFAOYSA-N 0 1 292.317 3.862 20 0 CHADMN Cc1ccc2oc(NCCCCc3ccnc(N)c3)nc2c1 ZINC001164234841 1133210086 /nfs/dbraw/zinc/21/00/86/1133210086.db2.gz XUXXOPLIPHFFEW-UHFFFAOYSA-N 0 1 296.374 3.548 20 0 CHADMN C[C@H](CSc1nc(-c2ccccn2)n[nH]1)C(C)(C)C ZINC001164515350 1133221114 /nfs/dbraw/zinc/22/11/14/1133221114.db2.gz OIFZYVLOEWJUJY-SNVBAGLBSA-N 0 1 276.409 3.641 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2)CCCC1=O ZINC001204396504 1133234150 /nfs/dbraw/zinc/23/41/50/1133234150.db2.gz GMPBTJQGCCCGGY-CQSZACIVSA-N 0 1 273.420 3.785 20 0 CHADMN CC(C)(C)c1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1 ZINC001204397481 1133237280 /nfs/dbraw/zinc/23/72/80/1133237280.db2.gz XLMYSWOHEWALME-BPUTZDHNSA-N 0 1 261.384 3.774 20 0 CHADMN CC(C)(C)Oc1ccnc(NCCCc2ccncc2)c1 ZINC001165585669 1133246477 /nfs/dbraw/zinc/24/64/77/1133246477.db2.gz ZJVJJVFHQASAOI-UHFFFAOYSA-N 0 1 285.391 3.699 20 0 CHADMN Cc1cc(N(C)C)ncc1NC/C=C/c1ccccc1 ZINC001166097456 1133259649 /nfs/dbraw/zinc/25/96/49/1133259649.db2.gz VFWNBLMCPQPORV-JXMROGBWSA-N 0 1 267.376 3.581 20 0 CHADMN Clc1ccccc1CN1CC[C@H](Oc2ccccc2)C1 ZINC001203381931 1133262381 /nfs/dbraw/zinc/26/23/81/1133262381.db2.gz MNCFMJQZJWPLCV-INIZCTEOSA-N 0 1 287.790 3.993 20 0 CHADMN CCOc1ccnc(N2CCCC[C@H]2c2cccnc2)c1 ZINC001166575396 1133271849 /nfs/dbraw/zinc/27/18/49/1133271849.db2.gz CDYDERAQXWOIOX-INIZCTEOSA-N 0 1 283.375 3.607 20 0 CHADMN CCOc1ccnc(N(C)Cc2ccc(Cl)cc2)c1 ZINC001166676380 1133280469 /nfs/dbraw/zinc/28/04/69/1133280469.db2.gz FDCQXKCMNMZIPC-UHFFFAOYSA-N 0 1 276.767 3.770 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2cncc(C)n2)cc1 ZINC001203173336 1133304305 /nfs/dbraw/zinc/30/43/05/1133304305.db2.gz GLTRXONCCABPOO-GOSISDBHSA-N 0 1 297.402 3.521 20 0 CHADMN Cc1cc(CN[C@@]2(c3ccccc3)CC2(C)C)cnc1F ZINC001203248017 1133308421 /nfs/dbraw/zinc/30/84/21/1133308421.db2.gz BCLXHWSJYLKZSM-GOSISDBHSA-N 0 1 284.378 3.944 20 0 CHADMN CCOc1ccc(CNCc2cccc(F)c2F)c(C)c1 ZINC001203300348 1133312428 /nfs/dbraw/zinc/31/24/28/1133312428.db2.gz IHCYADOOUYOMHR-UHFFFAOYSA-N 0 1 291.341 3.962 20 0 CHADMN Cc1ccc(CN2CCC3(CC(=O)c4ccccc43)CC2)o1 ZINC001203300491 1133312642 /nfs/dbraw/zinc/31/26/42/1133312642.db2.gz KXGKBAGWNPRSRF-UHFFFAOYSA-N 0 1 295.382 3.708 20 0 CHADMN COc1ccsc1CNCc1ccc2cccnc2c1 ZINC001203363047 1133318607 /nfs/dbraw/zinc/31/86/07/1133318607.db2.gz KCDBATTYOQFHGF-UHFFFAOYSA-N 0 1 284.384 3.595 20 0 CHADMN Fc1cccc(Cl)c1CN1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001203398892 1133322137 /nfs/dbraw/zinc/32/21/37/1133322137.db2.gz FAVXFNGKMIKOBM-AOOOYVTPSA-N 0 1 289.728 3.956 20 0 CHADMN COc1ccc(CN2CCc3c(C)cccc3C2)c(OC)c1 ZINC001203471985 1133330538 /nfs/dbraw/zinc/33/05/38/1133330538.db2.gz RWHQRIWYRLKHSJ-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN COc1ccc(CN2CCC(F)(F)C(C)(C)C2)c(OC)c1 ZINC001203470780 1133331329 /nfs/dbraw/zinc/33/13/29/1133331329.db2.gz FYHDOPGTGFCILT-UHFFFAOYSA-N 0 1 299.361 3.571 20 0 CHADMN Cc1ccc2[nH]c(NC[C@@H]3CCOc4ccccc43)nc2c1 ZINC001203479694 1133332036 /nfs/dbraw/zinc/33/20/36/1133332036.db2.gz WILMIKODDOWWPV-ZDUSSCGKSA-N 0 1 293.370 3.850 20 0 CHADMN CC1(C)C[C@]1(C)CNCc1csc(C(F)(F)F)n1 ZINC001203511076 1133333960 /nfs/dbraw/zinc/33/39/60/1133333960.db2.gz LBFKEZBBOGCQNY-LLVKDONJSA-N 0 1 278.343 3.688 20 0 CHADMN CCc1ccc(Nc2ccnc3cc(OC)ccc32)cn1 ZINC001203521551 1133335005 /nfs/dbraw/zinc/33/50/05/1133335005.db2.gz CHZFEWFCEHQBNH-UHFFFAOYSA-N 0 1 279.343 3.944 20 0 CHADMN CCOc1cncc(Nc2ccnc3cc(OC)ccc32)c1 ZINC001203521587 1133336165 /nfs/dbraw/zinc/33/61/65/1133336165.db2.gz CXRWCSVPOFPCDH-UHFFFAOYSA-N 0 1 295.342 3.781 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(C)nc(OC)c1 ZINC001203524862 1133336200 /nfs/dbraw/zinc/33/62/00/1133336200.db2.gz FHDUDZQJRXLADM-UHFFFAOYSA-N 0 1 295.342 3.699 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(N)cc1OC ZINC001203526431 1133336700 /nfs/dbraw/zinc/33/67/00/1133336700.db2.gz WTWHINUPLWXNOJ-UHFFFAOYSA-N 0 1 295.342 3.578 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1c(C)cccc1CO ZINC001203527469 1133337630 /nfs/dbraw/zinc/33/76/30/1133337630.db2.gz BETQVEXNKCCVMG-UHFFFAOYSA-N 0 1 294.354 3.788 20 0 CHADMN FC(F)(F)c1ccccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001203693858 1133354763 /nfs/dbraw/zinc/35/47/63/1133354763.db2.gz OONNWPNCOLFXFB-MFKMUULPSA-N 0 1 255.283 3.690 20 0 CHADMN COc1ccccc1CN(C)Cc1ccc(OC)c(C)c1C ZINC001203719649 1133359079 /nfs/dbraw/zinc/35/90/79/1133359079.db2.gz KTXBIHMDCFONOP-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN Clc1ccc(CN2CC[C@H]3OCC[C@@H]3C2)cc1Cl ZINC001203802740 1133371186 /nfs/dbraw/zinc/37/11/86/1133371186.db2.gz VOJUOOXSUUERKX-BXUZGUMPSA-N 0 1 286.202 3.604 20 0 CHADMN C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2)CCC[C@@H]1O ZINC001203808725 1133373306 /nfs/dbraw/zinc/37/33/06/1133373306.db2.gz RQTZAMJIJBTBGT-YGRLFVJLSA-N 0 1 288.218 3.586 20 0 CHADMN COc1ccc(CN2CCC(F)(F)C(C)(C)C2)cc1OC ZINC001203832885 1133375596 /nfs/dbraw/zinc/37/55/96/1133375596.db2.gz HPXTVWBBAHMLOW-UHFFFAOYSA-N 0 1 299.361 3.571 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1ccc(OC)c(O)c1 ZINC001203871400 1133378352 /nfs/dbraw/zinc/37/83/52/1133378352.db2.gz KXBBNJJBZOMNPQ-UHFFFAOYSA-N 0 1 289.350 3.562 20 0 CHADMN F[C@@H]1C[C@@H]2C[C@H]1CN2Cc1cccc(C(F)(F)F)c1 ZINC001203886268 1133380485 /nfs/dbraw/zinc/38/04/85/1133380485.db2.gz YNGNSLIJJGBRJB-WCFLWFBJSA-N 0 1 273.273 3.638 20 0 CHADMN CCn1ccc(CN[C@H](c2ccc(OC)cc2)C2CCC2)n1 ZINC001203906597 1133383173 /nfs/dbraw/zinc/38/31/73/1133383173.db2.gz ICYDKVPLTFJCTN-SFHVURJKSA-N 0 1 299.418 3.543 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2ccc(F)cc2)cn1 ZINC001203915352 1133385204 /nfs/dbraw/zinc/38/52/04/1133385204.db2.gz QOVRRCAQWKXBGJ-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN c1ccc(Oc2ccc(CN3CC[C@]34CCOC4)cc2)cc1 ZINC001203945008 1133388835 /nfs/dbraw/zinc/38/88/35/1133388835.db2.gz WVGUCVUMDVSGKE-LJQANCHMSA-N 0 1 295.382 3.844 20 0 CHADMN CCCCOc1ccc(CN2C[C@H](F)C[C@H]2C)cc1 ZINC001203972642 1133391953 /nfs/dbraw/zinc/39/19/53/1133391953.db2.gz PQWWLNHYYZZIPE-UKRRQHHQSA-N 0 1 265.372 3.798 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1cccc2ccccc21 ZINC001203983321 1133393692 /nfs/dbraw/zinc/39/36/92/1133393692.db2.gz SSSUGIOYQLRXGD-KSSFIOAISA-N 0 1 299.414 3.859 20 0 CHADMN COc1ccc(CN2CCC(=O)[C@@H](C)CC2)c2ccccc12 ZINC001203992880 1133394786 /nfs/dbraw/zinc/39/47/86/1133394786.db2.gz PSTLBZJAVWVWIA-AWEZNQCLSA-N 0 1 297.398 3.649 20 0 CHADMN COc1ccc2ccccc2c1CN1CCOC[C@H]1C(C)C ZINC001203990271 1133395281 /nfs/dbraw/zinc/39/52/81/1133395281.db2.gz XCGIOCIXDMZFFI-SFHVURJKSA-N 0 1 299.414 3.705 20 0 CHADMN F[C@@H]1CSC2(CN(Cc3ccc4ccccc4c3)C2)C1 ZINC001203999387 1133396064 /nfs/dbraw/zinc/39/60/64/1133396064.db2.gz FBPMYJZWXOXBOY-INIZCTEOSA-N 0 1 287.403 3.869 20 0 CHADMN c1ccc2cc(CN3CCc4ncccc4C3)ccc2c1 ZINC001204000277 1133398351 /nfs/dbraw/zinc/39/83/51/1133398351.db2.gz AUDKJHPBMOTAPZ-UHFFFAOYSA-N 0 1 274.367 3.793 20 0 CHADMN c1[nH]c2ccccc2c1CN1CCOc2ccccc2C1 ZINC001204041840 1133401950 /nfs/dbraw/zinc/40/19/50/1133401950.db2.gz CVEFILRAXGHCFL-UHFFFAOYSA-N 0 1 278.355 3.563 20 0 CHADMN Cc1cccc(CN[C@H](C)c2ncccc2C)c1C ZINC001204037279 1133402596 /nfs/dbraw/zinc/40/25/96/1133402596.db2.gz GIUHYAVHZMHVHY-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN c1[nH]c2ccccc2c1CN1CCO[C@@H](c2ccccc2)C1 ZINC001204043675 1133404417 /nfs/dbraw/zinc/40/44/17/1133404417.db2.gz XFDQCEZBMJXDQD-LJQANCHMSA-N 0 1 292.382 3.741 20 0 CHADMN OC[C@@H]1C[C@H](F)CN(Cc2ccc(-c3ccccc3)cc2)C1 ZINC001204133846 1133408735 /nfs/dbraw/zinc/40/87/35/1133408735.db2.gz FTNBODRHCGROOW-APWZRJJASA-N 0 1 299.389 3.506 20 0 CHADMN c1ccc(-c2ccc(CN3C[C@H]4CC[C@@H]3CO4)cc2)cc1 ZINC001204140011 1133410044 /nfs/dbraw/zinc/41/00/44/1133410044.db2.gz ZNUNQGFCBSDSKP-RTBURBONSA-N 0 1 279.383 3.717 20 0 CHADMN CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC001204156520 1133411507 /nfs/dbraw/zinc/41/15/07/1133411507.db2.gz FTYFUUJRNBXTHJ-UHFFFAOYSA-N 0 1 287.334 3.546 20 0 CHADMN CC(C)c1ccc(CN2CCC(=O)[C@H](C)CC2)cc1 ZINC001204167539 1133414002 /nfs/dbraw/zinc/41/40/02/1133414002.db2.gz SGGKJTYJTLAJGR-CQSZACIVSA-N 0 1 259.393 3.611 20 0 CHADMN CCOC(=O)CN(CC[C@H](C)c1ccccc1)CC(C)C ZINC001204186898 1133416270 /nfs/dbraw/zinc/41/62/70/1133416270.db2.gz HFRYFVGHDSTKEB-INIZCTEOSA-N 0 1 291.435 3.701 20 0 CHADMN CCc1ccc(CN2CCC(=O)[C@@H](C)C23CCCC3)cc1 ZINC001204179095 1133416396 /nfs/dbraw/zinc/41/63/96/1133416396.db2.gz IDGZTUOGPGJPEV-OAHLLOKOSA-N 0 1 285.431 3.973 20 0 CHADMN Fc1ccc(CN2CCC3(CC(F)(F)C3)CC2)cc1F ZINC001204222047 1133421164 /nfs/dbraw/zinc/42/11/64/1133421164.db2.gz RBJOQQMMRWLBTL-UHFFFAOYSA-N 0 1 287.300 3.976 20 0 CHADMN CC[N@@H+](Cc1cn(C)c2ccccc12)Cc1cccnc1 ZINC001204319732 1133437076 /nfs/dbraw/zinc/43/70/76/1133437076.db2.gz AWGFPUZWZGDXGT-UHFFFAOYSA-N 0 1 279.387 3.595 20 0 CHADMN CC(=O)n1cc(C[N@H+]2CCCCC23CC3)c2ccccc21 ZINC001204411401 1133444124 /nfs/dbraw/zinc/44/41/24/1133444124.db2.gz XBDABPWDMZDLFU-UHFFFAOYSA-N 0 1 282.387 3.820 20 0 CHADMN C[C@@]1(F)CCCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001204414289 1133444837 /nfs/dbraw/zinc/44/48/37/1133444837.db2.gz BNADEPXCFPDOKO-CYBMUJFWSA-N 0 1 291.288 3.909 20 0 CHADMN Cc1cc(F)c(C[N@H+](CC(C)C)C2CC2)c(F)c1 ZINC001204410686 1133444958 /nfs/dbraw/zinc/44/49/58/1133444958.db2.gz HHCJFEBLNKLDNA-UHFFFAOYSA-N 0 1 253.336 3.894 20 0 CHADMN Cc1cc(F)c(CN(CC(C)C)C2CC2)c(F)c1 ZINC001204410686 1133444960 /nfs/dbraw/zinc/44/49/60/1133444960.db2.gz HHCJFEBLNKLDNA-UHFFFAOYSA-N 0 1 253.336 3.894 20 0 CHADMN CC(C)Oc1ccc(CN2CCc3cc(O)ccc3C2)cc1 ZINC001204453993 1133448664 /nfs/dbraw/zinc/44/86/64/1133448664.db2.gz ZBOQPXFBNNRCTL-UHFFFAOYSA-N 0 1 297.398 3.738 20 0 CHADMN COc1ccc2cc(CN3C[C@@H]4C[C@@H]4[C@H](F)C3)ccc2c1 ZINC001204516664 1133456042 /nfs/dbraw/zinc/45/60/42/1133456042.db2.gz MLFVNEDRPOSICD-RYQLBKOJSA-N 0 1 285.362 3.638 20 0 CHADMN C[C@@H]1CCN(Cc2cc(Cl)ccc2Cl)CC[C@@H]1O ZINC001204563178 1133463182 /nfs/dbraw/zinc/46/31/82/1133463182.db2.gz YHUIYQOVOIMFIP-YGRLFVJLSA-N 0 1 288.218 3.586 20 0 CHADMN CCCC[N@@H+](Cc1cn(C)nc1C)Cc1ccccc1 ZINC001204578404 1133464100 /nfs/dbraw/zinc/46/41/00/1133464100.db2.gz FEINLHSTSZXMAM-UHFFFAOYSA-N 0 1 271.408 3.531 20 0 CHADMN COCCN(Cc1cc(Cl)ccc1Cl)C(C)C ZINC001204567768 1133464771 /nfs/dbraw/zinc/46/47/71/1133464771.db2.gz XIHYHRKQUUMIAL-UHFFFAOYSA-N 0 1 276.207 3.850 20 0 CHADMN COCOc1cc(C)c(-c2cncc3nc(C)[nH]c32)c(C)c1 ZINC001204612038 1133468396 /nfs/dbraw/zinc/46/83/96/1133468396.db2.gz HLHFIPWNYADTAS-UHFFFAOYSA-N 0 1 297.358 3.533 20 0 CHADMN COCOc1cc(C)c(-c2cncc3[nH]c(C)nc32)c(C)c1 ZINC001204612038 1133468401 /nfs/dbraw/zinc/46/84/01/1133468401.db2.gz HLHFIPWNYADTAS-UHFFFAOYSA-N 0 1 297.358 3.533 20 0 CHADMN CC[C@H]1C[N@@H+](Cc2ccc(Cl)c(C)c2Cl)C[C@@H]1O ZINC001204640966 1133470099 /nfs/dbraw/zinc/47/00/99/1133470099.db2.gz YTFJNAWTNVIBAW-GWCFXTLKSA-N 0 1 288.218 3.505 20 0 CHADMN CC[C@H]1CN(Cc2ccc(Cl)c(C)c2Cl)C[C@@H]1O ZINC001204640966 1133470102 /nfs/dbraw/zinc/47/01/02/1133470102.db2.gz YTFJNAWTNVIBAW-GWCFXTLKSA-N 0 1 288.218 3.505 20 0 CHADMN Cc1ccc(CO[C@H]2CCN3Cc4ccccc4N=C23)cc1 ZINC001204688358 1133476278 /nfs/dbraw/zinc/47/62/78/1133476278.db2.gz XUYDJVGSLNFGCO-SFHVURJKSA-N 0 1 292.382 3.830 20 0 CHADMN Cc1coc(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC001204783472 1133485851 /nfs/dbraw/zinc/48/58/51/1133485851.db2.gz JPRADVICLZSNAR-OAHLLOKOSA-N 0 1 285.343 3.654 20 0 CHADMN Clc1ccc2c(c1)CN(Cc1ccc3c(c1)CCN3)CC2 ZINC001204854207 1133492312 /nfs/dbraw/zinc/49/23/12/1133492312.db2.gz HSMLAIOEZLAGMW-UHFFFAOYSA-N 0 1 298.817 3.866 20 0 CHADMN CNc1ccc(CN2CCc3ccc(Cl)cc3C2)cc1 ZINC001204853915 1133492706 /nfs/dbraw/zinc/49/27/06/1133492706.db2.gz BMJJFFHXFUXWHN-UHFFFAOYSA-N 0 1 286.806 3.940 20 0 CHADMN Fc1cc(CN2C[C@@H]3C[C@H]2C[C@H]3F)ccc1C(F)(F)F ZINC001204879781 1133494713 /nfs/dbraw/zinc/49/47/13/1133494713.db2.gz NDYLCYIONWJZJA-JBLDHEPKSA-N 0 1 291.263 3.777 20 0 CHADMN CCn1cnc(Cl)c1CN1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC001204891437 1133495883 /nfs/dbraw/zinc/49/58/83/1133495883.db2.gz RVAVHRKDWJTWSD-IHRRRGAJSA-N 0 1 295.858 3.957 20 0 CHADMN CC[C@H](C)[C@H](CN1C[C@@H](C)O[C@H](c2ccccc2)C1)OC ZINC001204899200 1133497098 /nfs/dbraw/zinc/49/70/98/1133497098.db2.gz PFYWFBKWPZQYRN-MVJTYMMSSA-N 0 1 291.435 3.510 20 0 CHADMN CN[C@H](c1nc(-c2ccc3ccncc3c2)no1)C(C)(C)C ZINC001204895150 1133497315 /nfs/dbraw/zinc/49/73/15/1133497315.db2.gz JUZFINVQICBXQW-CQSZACIVSA-N 0 1 296.374 3.591 20 0 CHADMN CCN(Cc1c(F)cccc1OC(F)(F)F)CC1CC1 ZINC001204923813 1133500099 /nfs/dbraw/zinc/50/00/99/1133500099.db2.gz PZBNYNPQQBEYNG-UHFFFAOYSA-N 0 1 291.288 3.956 20 0 CHADMN COc1ccc(CN(C)CCc2ccccc2F)c(F)c1 ZINC001204941164 1133505205 /nfs/dbraw/zinc/50/52/05/1133505205.db2.gz DGDULJYBSOCTRX-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN Cc1c(C)c(-c2ccc(CN(C)C)c(F)c2)ccc1CO ZINC001204998125 1133515286 /nfs/dbraw/zinc/51/52/86/1133515286.db2.gz OTBKPUCIMHTTRB-UHFFFAOYSA-N 0 1 287.378 3.663 20 0 CHADMN CCc1oc2ccccc2c1CN(C)Cc1n[nH]c(C)c1C ZINC001205032248 1133518744 /nfs/dbraw/zinc/51/87/44/1133518744.db2.gz FWFIOTPNLDCVGU-UHFFFAOYSA-N 0 1 297.402 3.967 20 0 CHADMN Cc1cc(CN2CC[C@](CF)(C(F)(F)F)C2)ccc1F ZINC001205162351 1133539605 /nfs/dbraw/zinc/53/96/05/1133539605.db2.gz QPVGWFVLCXDZBQ-CYBMUJFWSA-N 0 1 293.279 3.858 20 0 CHADMN CCCOC1CCN(Cc2sccc2Cl)CC1 ZINC001205339842 1133563620 /nfs/dbraw/zinc/56/36/20/1133563620.db2.gz RWUGRQJKAHFJTF-UHFFFAOYSA-N 0 1 273.829 3.793 20 0 CHADMN O=C1CCN(Cc2ccc3[nH]ccc3c2)[C@H]2CCCC[C@H]12 ZINC001205563198 1133588503 /nfs/dbraw/zinc/58/85/03/1133588503.db2.gz LBMNEKSDFCEMJD-RDJZCZTQSA-N 0 1 282.387 3.502 20 0 CHADMN C=Cc1ccccc1-c1ccc(CCN2CCOCC2)cc1 ZINC001205636476 1133597246 /nfs/dbraw/zinc/59/72/46/1133597246.db2.gz FJPZMGDOVISRIC-UHFFFAOYSA-N 0 1 293.410 3.871 20 0 CHADMN CCCC1CCC([N@@H+](C)Cc2cnn(C)c2Cl)CC1 ZINC001205639828 1133597715 /nfs/dbraw/zinc/59/77/15/1133597715.db2.gz NEPAXDULKTVFQW-UHFFFAOYSA-N 0 1 283.847 3.864 20 0 CHADMN Fc1ccc(-c2nccc3c2CCN3)c(Cl)c1F ZINC001205635138 1133597628 /nfs/dbraw/zinc/59/76/28/1133597628.db2.gz JCFRXXUVFALHPZ-UHFFFAOYSA-N 0 1 266.678 3.648 20 0 CHADMN CCCC1CCC(N(C)Cc2cnn(C)c2Cl)CC1 ZINC001205639828 1133597717 /nfs/dbraw/zinc/59/77/17/1133597717.db2.gz NEPAXDULKTVFQW-UHFFFAOYSA-N 0 1 283.847 3.864 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)N[C@@H]3CC[C@H]3C)n2)cc1F ZINC001205656976 1133599931 /nfs/dbraw/zinc/59/99/31/1133599931.db2.gz WCPYPHKMAOCBMR-UHIISALHSA-N 0 1 289.354 3.633 20 0 CHADMN c1nocc1CN(CCc1ccccc1)Cc1ccccc1 ZINC001205703455 1133605288 /nfs/dbraw/zinc/60/52/88/1133605288.db2.gz BKJJYXDQGDZGRJ-UHFFFAOYSA-N 0 1 292.382 3.920 20 0 CHADMN Cc1cccnc1CN1CCCC[C@H]1c1cccnc1 ZINC001205793434 1133614458 /nfs/dbraw/zinc/61/44/58/1133614458.db2.gz UJRDOMGOGBXFGF-KRWDZBQOSA-N 0 1 267.376 3.512 20 0 CHADMN Cc1c(N)ccnc1-c1ccc(F)c(F)c1OC(C)C ZINC001205836095 1133620321 /nfs/dbraw/zinc/62/03/21/1133620321.db2.gz OVOBATWIOGMDBI-UHFFFAOYSA-N 0 1 278.302 3.705 20 0 CHADMN CSc1ccc(F)cc1-c1cccn2cncc12 ZINC001205983565 1133637925 /nfs/dbraw/zinc/63/79/25/1133637925.db2.gz LIRWCJHFQUMNPF-UHFFFAOYSA-N 0 1 258.321 3.862 20 0 CHADMN C[C@H](NCc1ncn(-c2ccccc2)n1)[C@H]1CCCC[C@H]1C ZINC001205990068 1133638854 /nfs/dbraw/zinc/63/88/54/1133638854.db2.gz ORLKANAIANPXPQ-VYDXJSESSA-N 0 1 298.434 3.572 20 0 CHADMN CC(C)[C@H]1N(Cc2nc3cc(F)ccc3o2)CC12CCC2 ZINC001206031733 1133645408 /nfs/dbraw/zinc/64/54/08/1133645408.db2.gz KKWXRBMAKVKFSI-MRXNPFEDSA-N 0 1 288.366 3.977 20 0 CHADMN Cc1cc(C)c(-c2cc(F)c(F)c(C(=O)[O-])c2)c(C)[nH+]1 ZINC001206058425 1133651554 /nfs/dbraw/zinc/65/15/54/1133651554.db2.gz WWGHMGGKTXTGNB-UHFFFAOYSA-N 0 1 277.270 3.650 20 0 CHADMN Cc1nc(C)c(CN(C)C/C=C/c2ccccc2)s1 ZINC001206179576 1133667278 /nfs/dbraw/zinc/66/72/78/1133667278.db2.gz WHVVGFGPYXMMFD-JXMROGBWSA-N 0 1 272.417 3.905 20 0 CHADMN CC(C)Oc1cc(-c2cccn3cncc23)ccc1F ZINC001206191651 1133669343 /nfs/dbraw/zinc/66/93/43/1133669343.db2.gz QLYRKHJKDOUBBE-UHFFFAOYSA-N 0 1 270.307 3.928 20 0 CHADMN Cc1cc(CN2CC[C@H]3[C@@H](C2)C3(F)F)ccc1Cl ZINC001206203726 1133670466 /nfs/dbraw/zinc/67/04/66/1133670466.db2.gz CCIMKBXPCYMSRA-NWDGAFQWSA-N 0 1 271.738 3.735 20 0 CHADMN Cc1c(Cl)ccc(-c2ccc(CN(C)C)cn2)c1F ZINC001206272415 1133680401 /nfs/dbraw/zinc/68/04/01/1133680401.db2.gz NXNKEKGKITZJBI-UHFFFAOYSA-N 0 1 278.758 3.911 20 0 CHADMN Cn1nccc1CN1CCC(CCCc2ccccc2)CC1 ZINC001206322977 1133689161 /nfs/dbraw/zinc/68/91/61/1133689161.db2.gz YWAYVERWPNLQLC-UHFFFAOYSA-N 0 1 297.446 3.655 20 0 CHADMN CC(C)N1CC(OCc2ccccc2-c2ccccc2)C1 ZINC001206595782 1133724782 /nfs/dbraw/zinc/72/47/82/1133724782.db2.gz IASROCGEXCTXKY-UHFFFAOYSA-N 0 1 281.399 3.963 20 0 CHADMN COc1cc(C)ccc1CN1CCc2ccccc2C1 ZINC001206734805 1133737942 /nfs/dbraw/zinc/73/79/42/1133737942.db2.gz GOYYTPIFWSTBPI-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN CCCOc1ccc(F)c(-c2cncc3[nH]cnc32)c1F ZINC001206739075 1133738704 /nfs/dbraw/zinc/73/87/04/1133738704.db2.gz VTCSAKSDUZVTIP-UHFFFAOYSA-N 0 1 289.285 3.692 20 0 CHADMN CCCOc1ccc(F)c(-c2cncc3nc[nH]c32)c1F ZINC001206739075 1133738709 /nfs/dbraw/zinc/73/87/09/1133738709.db2.gz VTCSAKSDUZVTIP-UHFFFAOYSA-N 0 1 289.285 3.692 20 0 CHADMN Cc1sc(CN2CC[C@@H]3C[C@@H]3C2)cc1Br ZINC001206753667 1133742432 /nfs/dbraw/zinc/74/24/32/1133742432.db2.gz NYPQPFPODSXMBT-NXEZZACHSA-N 0 1 286.238 3.661 20 0 CHADMN Oc1cc(F)c(-c2nccc3ccccc32)cc1F ZINC001206755478 1133742501 /nfs/dbraw/zinc/74/25/01/1133742501.db2.gz KPEYPNNXFUAWGL-UHFFFAOYSA-N 0 1 257.239 3.886 20 0 CHADMN CC(C)Oc1cccc(-c2cc(F)c(O)cc2F)n1 ZINC001206761589 1133743808 /nfs/dbraw/zinc/74/38/08/1133743808.db2.gz NTYAIBXACFCGFE-UHFFFAOYSA-N 0 1 265.259 3.520 20 0 CHADMN CC(C)(C)Oc1cccc(-c2cc(F)c(O)cc2F)n1 ZINC001206762506 1133744402 /nfs/dbraw/zinc/74/44/02/1133744402.db2.gz ZIWTYEIGBXBZGZ-UHFFFAOYSA-N 0 1 279.286 3.910 20 0 CHADMN Cc1cc(-c2cc(F)c(O)cc2F)nc2[nH]ccc21 ZINC001206762591 1133744477 /nfs/dbraw/zinc/74/44/77/1133744477.db2.gz ZXBYKHSWRVOPJK-UHFFFAOYSA-N 0 1 260.243 3.522 20 0 CHADMN Oc1cc(F)c(-c2cc(C3CC3)nc(C3CC3)n2)cc1F ZINC001206776066 1133747301 /nfs/dbraw/zinc/74/73/01/1133747301.db2.gz YUHRZFMNRIQLHP-UHFFFAOYSA-N 0 1 288.297 3.882 20 0 CHADMN CCn1ccc(CN2CCC[C@@H](C3CCCCC3)C2)n1 ZINC001206787207 1133748984 /nfs/dbraw/zinc/74/89/84/1133748984.db2.gz CUGQFKKIVCNWHI-MRXNPFEDSA-N 0 1 275.440 3.695 20 0 CHADMN COc1ccc(-c2cc(CN3CCC[C@H](C)C3)no2)cc1 ZINC001206822753 1133752632 /nfs/dbraw/zinc/75/26/32/1133752632.db2.gz DLDQHWIRMHJFKJ-ZDUSSCGKSA-N 0 1 286.375 3.582 20 0 CHADMN OCCN(Cc1cccs1)Cc1cccc(C(F)F)c1 ZINC001207130821 1133771152 /nfs/dbraw/zinc/77/11/52/1133771152.db2.gz FLOBSSRVIPMQNB-UHFFFAOYSA-N 0 1 297.370 3.680 20 0 CHADMN CCCCN(Cc1ccccc1)Cc1ccnc(C)n1 ZINC001207165980 1133774285 /nfs/dbraw/zinc/77/42/85/1133774285.db2.gz SFCRLWKKMUSEQX-UHFFFAOYSA-N 0 1 269.392 3.587 20 0 CHADMN CC(C)OC1CN(C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001207197418 1133777907 /nfs/dbraw/zinc/77/79/07/1133777907.db2.gz PTJKOCJCEGINCM-CZUORRHYSA-N 0 1 279.811 3.553 20 0 CHADMN COC(=O)c1ccc2c(c1)CN(CCC1CCCCC1)C2 ZINC001207261090 1133784216 /nfs/dbraw/zinc/78/42/16/1133784216.db2.gz LUHHQYDOOBLXTN-UHFFFAOYSA-N 0 1 287.403 3.759 20 0 CHADMN CC1=CC[C@@H](CCN2CCn3cccc3C2)C1(C)C ZINC001207278308 1133786601 /nfs/dbraw/zinc/78/66/01/1133786601.db2.gz BZTJGSRXAJVYDJ-HNNXBMFYSA-N 0 1 258.409 3.686 20 0 CHADMN CC1(C)C[C@@H](CN2CCc3c4ccccc4oc3C2)CCO1 ZINC001207362509 1133796597 /nfs/dbraw/zinc/79/65/97/1133796597.db2.gz JBDHDYGJBVSWJN-AWEZNQCLSA-N 0 1 299.414 3.996 20 0 CHADMN C[C@]1(F)CCCN(CCCc2ccccc2F)C1 ZINC001207489863 1133808019 /nfs/dbraw/zinc/80/80/19/1133808019.db2.gz IAPSQCRGZHOEJP-HNNXBMFYSA-N 0 1 253.336 3.582 20 0 CHADMN Cc1nc2c(s1)CN(CCCc1ccccc1F)CC2 ZINC001207494942 1133810426 /nfs/dbraw/zinc/81/04/26/1133810426.db2.gz OEOXHNKOROEOJP-UHFFFAOYSA-N 0 1 290.407 3.582 20 0 CHADMN Fc1ccc(CC[N@H+]2CCc3c(F)cccc3C2)cc1 ZINC001207517664 1133811025 /nfs/dbraw/zinc/81/10/25/1133811025.db2.gz UZIYBUYFDHOYOV-UHFFFAOYSA-N 0 1 273.326 3.566 20 0 CHADMN c1ccc(C(CN2CCOCC23CC3)c2ccccc2)cc1 ZINC001207525839 1133816952 /nfs/dbraw/zinc/81/69/52/1133816952.db2.gz IARMTMGBKJXDTQ-UHFFFAOYSA-N 0 1 293.410 3.683 20 0 CHADMN c1cnc([C@@H]2CCCN2CCCC2CCCCC2)nc1 ZINC001207608094 1133831332 /nfs/dbraw/zinc/83/13/32/1133831332.db2.gz FEUYXZPPTXJVRS-INIZCTEOSA-N 0 1 273.424 3.974 20 0 CHADMN CC(C)c1nc(CN(C)C[C@H]2C[C@H]3C=C[C@@H]2C3)cs1 ZINC001207630782 1133834324 /nfs/dbraw/zinc/83/43/24/1133834324.db2.gz YFYSGXFAOSIDTD-BFHYXJOUSA-N 0 1 276.449 3.911 20 0 CHADMN Clc1cnc2c(c1)C[N@H+](CC1(c3ccccc3)CC1)CC2 ZINC001207839667 1133854068 /nfs/dbraw/zinc/85/40/68/1133854068.db2.gz SPUFBBOCJNBDFK-UHFFFAOYSA-N 0 1 298.817 3.825 20 0 CHADMN Clc1cnc2c(c1)CN(CC1(c3ccccc3)CC1)CC2 ZINC001207839667 1133854074 /nfs/dbraw/zinc/85/40/74/1133854074.db2.gz SPUFBBOCJNBDFK-UHFFFAOYSA-N 0 1 298.817 3.825 20 0 CHADMN C[C@H](CN1CC[C@@](C)(F)[C@H](F)C1)c1ccccc1 ZINC001207903657 1133859690 /nfs/dbraw/zinc/85/96/90/1133859690.db2.gz PODAUIMZSZZQEU-BPLDGKMQSA-N 0 1 253.336 3.562 20 0 CHADMN C[C@H](CN1CC[C@@](C)(F)[C@@H](F)C1)c1ccccc1 ZINC001207903659 1133860235 /nfs/dbraw/zinc/86/02/35/1133860235.db2.gz PODAUIMZSZZQEU-VHDGCEQUSA-N 0 1 253.336 3.562 20 0 CHADMN CC(C)c1ccc(C[C@@H](C)CN2CCC(=O)CC2)cc1 ZINC001207931621 1133863228 /nfs/dbraw/zinc/86/32/28/1133863228.db2.gz IIWQCLZSHOJERM-OAHLLOKOSA-N 0 1 273.420 3.654 20 0 CHADMN COc1cc2c(cc1OC)CN(C[C@H](C)c1ccccc1)C2 ZINC001207914315 1133863793 /nfs/dbraw/zinc/86/37/93/1133863793.db2.gz SIFIGFQNLMUHNS-AWEZNQCLSA-N 0 1 297.398 3.823 20 0 CHADMN Cc1ccc([C@@H](C)CCN2CC[C@@H](C)[C@H](F)C2)o1 ZINC001208153482 1133887659 /nfs/dbraw/zinc/88/76/59/1133887659.db2.gz ADQSQXRJNLQGID-MBNYWOFBSA-N 0 1 253.361 3.762 20 0 CHADMN CC1=C[C@H](C)[C@@H](CN2CCn3cccc3[C@@H]2C)CC1 ZINC001208182951 1133900634 /nfs/dbraw/zinc/90/06/34/1133900634.db2.gz WHBNSWATUKXBNX-HRCADAONSA-N 0 1 258.409 3.857 20 0 CHADMN CC1=C[C@H](C)[C@@H](CN(C)CC(=O)c2ccccc2)CC1 ZINC001208182640 1133900967 /nfs/dbraw/zinc/90/09/67/1133900967.db2.gz UREFFEJMJJKFGW-DOTOQJQBSA-N 0 1 271.404 3.794 20 0 CHADMN CC/C=C\CCCCCN1CCN(c2nccs2)CC1 ZINC001208187853 1133901944 /nfs/dbraw/zinc/90/19/44/1133901944.db2.gz BHDTZFJEFWRLGE-ARJAWSKDSA-N 0 1 293.480 3.792 20 0 CHADMN CN(CCc1cccc(F)c1)Cc1nc2ccccc2o1 ZINC001208197996 1133905541 /nfs/dbraw/zinc/90/55/41/1133905541.db2.gz BCSZTSQJOKXFRG-UHFFFAOYSA-N 0 1 284.334 3.641 20 0 CHADMN Fc1cccc(CCN2CC[C@H]2COCc2ccccc2)c1 ZINC001208196903 1133906299 /nfs/dbraw/zinc/90/62/99/1133906299.db2.gz DUTRSJCQOWWIHD-IBGZPJMESA-N 0 1 299.389 3.659 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1cccc(F)c1)OCc1ccccc1 ZINC001208700604 1133932164 /nfs/dbraw/zinc/93/21/64/1133932164.db2.gz MQAWCJHGGRBGCC-HNNXBMFYSA-N 0 1 287.378 3.863 20 0 CHADMN C[C@H](CN1CCC(=O)C[C@@H]1C)c1cccc2ccccc21 ZINC001208705680 1133933070 /nfs/dbraw/zinc/93/30/70/1133933070.db2.gz JYQYTRHAPNQPRM-CABCVRRESA-N 0 1 281.399 3.997 20 0 CHADMN CC/C=C\CC[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC001208726159 1133935770 /nfs/dbraw/zinc/93/57/70/1133935770.db2.gz XJKJFEGXCQCLCO-LIMHQNJXSA-N 0 1 287.403 3.551 20 0 CHADMN CC/C=C\CCN1CCC[C@H]1C(=O)OCc1ccccc1 ZINC001208726159 1133935773 /nfs/dbraw/zinc/93/57/73/1133935773.db2.gz XJKJFEGXCQCLCO-LIMHQNJXSA-N 0 1 287.403 3.551 20 0 CHADMN Cc1cc([C@H]2CCCN2CCCc2ccc(F)cc2)no1 ZINC001208766794 1133941719 /nfs/dbraw/zinc/94/17/19/1133941719.db2.gz HSULYWPZKFLFQG-QGZVFWFLSA-N 0 1 288.366 3.892 20 0 CHADMN CN(Cc1ccon1)CC1(c2ccccc2)CCCC1 ZINC001208777404 1133945499 /nfs/dbraw/zinc/94/54/99/1133945499.db2.gz JOTBABXVPPRUMT-UHFFFAOYSA-N 0 1 270.376 3.618 20 0 CHADMN Cc1c(N=C2CC[NH+](C)CC2)snc1-c1ccccc1 ZINC001208803479 1133945955 /nfs/dbraw/zinc/94/59/55/1133945955.db2.gz XTEJRDZRRKTXMQ-UHFFFAOYSA-N 0 1 285.416 3.750 20 0 CHADMN Cc1c(-c2ccccc2)nsc1NC1=CCN(C)CC1 ZINC001208803479 1133945959 /nfs/dbraw/zinc/94/59/59/1133945959.db2.gz XTEJRDZRRKTXMQ-UHFFFAOYSA-N 0 1 285.416 3.750 20 0 CHADMN Cc1c(N=C2CCN(C)CC2)snc1-c1ccccc1 ZINC001208803479 1133945962 /nfs/dbraw/zinc/94/59/62/1133945962.db2.gz XTEJRDZRRKTXMQ-UHFFFAOYSA-N 0 1 285.416 3.750 20 0 CHADMN CC(C)n1nc(-c2ccccc2)cc1NC1=CC[N@@H+](C)CC1 ZINC001208802196 1133947175 /nfs/dbraw/zinc/94/71/75/1133947175.db2.gz IKUQDUHBKLDTGD-UHFFFAOYSA-N 0 1 296.418 3.762 20 0 CHADMN Clc1ccccc1CCCN1CCc2cccnc2C1 ZINC001208874570 1133957260 /nfs/dbraw/zinc/95/72/60/1133957260.db2.gz KLKHGOHYNOSNHF-UHFFFAOYSA-N 0 1 286.806 3.726 20 0 CHADMN Fc1cc(F)cc([C@H]2CCCN2C[C@@H]2CCC=CO2)c1 ZINC001208884974 1133958595 /nfs/dbraw/zinc/95/85/95/1133958595.db2.gz GECOAVHYNMYMET-JKSUJKDBSA-N 0 1 279.330 3.794 20 0 CHADMN Cc1ncc(N=C2CCN(c3ccccc3)CC2)s1 ZINC001209010167 1133970589 /nfs/dbraw/zinc/97/05/89/1133970589.db2.gz ZUCBHDLXFAQRBB-UHFFFAOYSA-N 0 1 271.389 3.658 20 0 CHADMN CCC[C@@H](C(=O)c1ccccc1)N(C)CC(C)(C)OCC ZINC001209077119 1133972622 /nfs/dbraw/zinc/97/26/22/1133972622.db2.gz ZATPBOGTZDSSGS-INIZCTEOSA-N 0 1 291.435 3.785 20 0 CHADMN CN(CCc1ccc(Cl)cc1Cl)Cc1ccno1 ZINC001209082733 1133973993 /nfs/dbraw/zinc/97/39/93/1133973993.db2.gz BYSBPTPGQXGYSQ-UHFFFAOYSA-N 0 1 285.174 3.656 20 0 CHADMN FC(F)(F)c1cccc(CCN2CCOCC23CCC3)c1 ZINC001209118282 1133977082 /nfs/dbraw/zinc/97/70/82/1133977082.db2.gz TZPKTHMAAUYDHZ-UHFFFAOYSA-N 0 1 299.336 3.503 20 0 CHADMN CCCn1cncc1CNCc1ccc(C(F)(F)F)cc1 ZINC000090205485 1133988197 /nfs/dbraw/zinc/98/81/97/1133988197.db2.gz AUUAGYGWUHIVGL-UHFFFAOYSA-N 0 1 297.324 3.602 20 0 CHADMN CC1(C)CN(CCc2ccccc2C(F)(F)F)C1 ZINC001209279630 1134000406 /nfs/dbraw/zinc/00/04/06/1134000406.db2.gz HCQGETOKPYLRAI-UHFFFAOYSA-N 0 1 257.299 3.590 20 0 CHADMN CC/C=C\CCCCCCN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001209287569 1134000970 /nfs/dbraw/zinc/00/09/70/1134000970.db2.gz TXRONQIACWSQCJ-HFZJXRFXSA-N 0 1 289.410 3.648 20 0 CHADMN CC(=O)C1CCN(CCc2ccccc2C(F)(F)F)CC1 ZINC001209283521 1134001800 /nfs/dbraw/zinc/00/18/00/1134001800.db2.gz NMEHRNDTAWNHNS-UHFFFAOYSA-N 0 1 299.336 3.549 20 0 CHADMN CCC[C@H](C(=O)c1ccccc1)N(C)C[C@H]1C[C@H]1C ZINC001209425896 1134014882 /nfs/dbraw/zinc/01/48/82/1134014882.db2.gz GQPFVERLTMRKGS-FVQBIDKESA-N 0 1 259.393 3.626 20 0 CHADMN C[C@@H]1C[C@@H]1CN1Cc2ccc(Br)cc2C[C@H]1C ZINC001209428839 1134016623 /nfs/dbraw/zinc/01/66/23/1134016623.db2.gz TZXJEXOBHZUKKR-JTNHKYCSSA-N 0 1 294.236 3.852 20 0 CHADMN Clc1ncc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)s1 ZINC001209473119 1134026904 /nfs/dbraw/zinc/02/69/04/1134026904.db2.gz ROOLNRVFOHYMMJ-PHIMTYICSA-N 0 1 290.819 3.883 20 0 CHADMN Cc1ccc(CN(C)Cc2cc3c(cn2)OCCC3)cc1C ZINC001209506045 1134030131 /nfs/dbraw/zinc/03/01/31/1134030131.db2.gz JGYNUFUXLSFERK-UHFFFAOYSA-N 0 1 296.414 3.655 20 0 CHADMN Cc1ccc2[nH]cc(CN3CC4(C3)C[C@@H](F)CS4)c2c1 ZINC001209494807 1134030282 /nfs/dbraw/zinc/03/02/82/1134030282.db2.gz PALBWZUAVMTPII-CYBMUJFWSA-N 0 1 290.407 3.506 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3cc[nH]c3c2)cn1 ZINC001209516285 1134031692 /nfs/dbraw/zinc/03/16/92/1134031692.db2.gz XGSGBFPHISGKGM-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1cc2c(cn1)OCCC2 ZINC001209510530 1134033286 /nfs/dbraw/zinc/03/32/86/1134033286.db2.gz KNEKLYQVEMFNTD-WEVVVXLNSA-N 0 1 294.398 3.552 20 0 CHADMN FC(F)C1CCN(Cc2c[nH]c3ncc(Cl)cc23)CC1 ZINC001209601191 1134040680 /nfs/dbraw/zinc/04/06/80/1134040680.db2.gz WWFRUQRWKQMGAI-UHFFFAOYSA-N 0 1 299.752 3.693 20 0 CHADMN COc1cc(CN(C)CCC2CC2)c(F)cc1Cl ZINC001209667719 1134048449 /nfs/dbraw/zinc/04/84/49/1134048449.db2.gz LWHAUPFGFSGNFY-UHFFFAOYSA-N 0 1 271.763 3.720 20 0 CHADMN Nc1ccncc1CN1CCC[C@@H]1c1ccc(Cl)s1 ZINC001209731608 1134054801 /nfs/dbraw/zinc/05/48/01/1134054801.db2.gz ULXWUGHOPFIJIX-GFCCVEGCSA-N 0 1 293.823 3.546 20 0 CHADMN Clc1ccc2n[nH]c(CN3Cc4ccccc4C3)c2c1 ZINC001209751731 1134057761 /nfs/dbraw/zinc/05/77/61/1134057761.db2.gz WPRCRRFPSLFPRE-UHFFFAOYSA-N 0 1 283.762 3.732 20 0 CHADMN F[C@H]1CCCCN(Cc2[nH]nc3ccc(Cl)cc32)C1 ZINC001209751195 1134058123 /nfs/dbraw/zinc/05/81/23/1134058123.db2.gz NFEVFEJOEZRIMJ-NSHDSACASA-N 0 1 281.762 3.540 20 0 CHADMN Cc1cccn2cc(CN3CC[C@H]4CCCC[C@@H]4C3)nc12 ZINC001209742354 1134058318 /nfs/dbraw/zinc/05/83/18/1134058318.db2.gz SYBUGXYDNWOWTQ-HZPDHXFCSA-N 0 1 283.419 3.655 20 0 CHADMN CC[C@H]1CCC[N@@H+]1Cc1n[nH]c2ccc(Cl)cc21 ZINC001209755914 1134058615 /nfs/dbraw/zinc/05/86/15/1134058615.db2.gz QBDSXLMRZHUWDB-NSHDSACASA-N 0 1 263.772 3.591 20 0 CHADMN CC[C@H]1CCC[N@H+]1Cc1n[nH]c2ccc(Cl)cc21 ZINC001209755914 1134058622 /nfs/dbraw/zinc/05/86/22/1134058622.db2.gz QBDSXLMRZHUWDB-NSHDSACASA-N 0 1 263.772 3.591 20 0 CHADMN c1coc(CN(Cc2c[nH]nc2-c2ccccc2)C2CC2)c1 ZINC001209764656 1134059976 /nfs/dbraw/zinc/05/99/76/1134059976.db2.gz DMAAMGOMMAMIFE-UHFFFAOYSA-N 0 1 293.370 3.834 20 0 CHADMN Clc1ccc2n[nH]c(CN3CC4(C3)CCCCC4)c2c1 ZINC001209760454 1134061102 /nfs/dbraw/zinc/06/11/02/1134061102.db2.gz XDOPHAQPXUTZLB-UHFFFAOYSA-N 0 1 289.810 3.982 20 0 CHADMN Clc1ccc2[nH]nc(CN3CCCC4(CCC4)C3)c2c1 ZINC001209761660 1134061391 /nfs/dbraw/zinc/06/13/91/1134061391.db2.gz MEPBMOPDQSGYCX-UHFFFAOYSA-N 0 1 289.810 3.982 20 0 CHADMN Clc1ccc2n[nH]c(CN3CCCC4(CCC4)C3)c2c1 ZINC001209761660 1134061398 /nfs/dbraw/zinc/06/13/98/1134061398.db2.gz MEPBMOPDQSGYCX-UHFFFAOYSA-N 0 1 289.810 3.982 20 0 CHADMN c1ccc(CCCC2CCN(Cc3cnccn3)CC2)cc1 ZINC001209782550 1134064657 /nfs/dbraw/zinc/06/46/57/1134064657.db2.gz JDAMBXAANNQRSU-UHFFFAOYSA-N 0 1 295.430 3.712 20 0 CHADMN COc1ccc(C)c(Nc2cc(C)nn2-c2ccncc2)c1 ZINC001209839127 1134075774 /nfs/dbraw/zinc/07/57/74/1134075774.db2.gz KFUZVAIRMUPZRI-UHFFFAOYSA-N 0 1 294.358 3.636 20 0 CHADMN CC(C)(C)c1cc(Nc2ccc3nc[nH]c3c2)on1 ZINC001209842055 1134078643 /nfs/dbraw/zinc/07/86/43/1134078643.db2.gz ALLTTZGBHFOYTH-UHFFFAOYSA-N 0 1 256.309 3.592 20 0 CHADMN Cc1cc(F)c(F)cc1Nc1ccc2nc[nH]c2c1 ZINC001209847949 1134081022 /nfs/dbraw/zinc/08/10/22/1134081022.db2.gz XTWZLTVWNZPSNL-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Fc1nc(Nc2ccc3nc[nH]c3c2)c(F)c(Cl)c1F ZINC001209847328 1134081187 /nfs/dbraw/zinc/08/11/87/1134081187.db2.gz CDVCOGSLILMTBQ-UHFFFAOYSA-N 0 1 298.655 3.772 20 0 CHADMN O=c1[nH]c2ccc(Nc3ccc4nc[nH]c4c3)cc2s1 ZINC001209847537 1134081656 /nfs/dbraw/zinc/08/16/56/1134081656.db2.gz RTMMJNHQTVXCNT-UHFFFAOYSA-N 0 1 282.328 3.622 20 0 CHADMN COc1c(F)cc(F)cc1Nc1ccc2nc[nH]c2c1 ZINC001209847597 1134081720 /nfs/dbraw/zinc/08/17/20/1134081720.db2.gz CNZVKLLGFYPMDN-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN COc1cc(C)cc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209847989 1134081865 /nfs/dbraw/zinc/08/18/65/1134081865.db2.gz YMFXCNOIARBGFD-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN CC(=O)c1c(F)cc(F)cc1Nc1ccc2nc[nH]c2c1 ZINC001209851097 1134083134 /nfs/dbraw/zinc/08/31/34/1134083134.db2.gz HFELOCAURAYCDA-UHFFFAOYSA-N 0 1 287.269 3.787 20 0 CHADMN c1nc2ccc(Nc3cc(-c4ccccc4)cnn3)cc2[nH]1 ZINC001209848355 1134084557 /nfs/dbraw/zinc/08/45/57/1134084557.db2.gz KMBPCYSWJFMMNX-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN Cc1cc2nsnc2cc1Nc1ccc2nc[nH]c2c1 ZINC001209851163 1134086359 /nfs/dbraw/zinc/08/63/59/1134086359.db2.gz JMPRBGZKYQEJTQ-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN O=C1CCCc2cccc(Nc3ccc4nc[nH]c4c3)c21 ZINC001209851148 1134086706 /nfs/dbraw/zinc/08/67/06/1134086706.db2.gz JDZNSFXLUCFDAT-UHFFFAOYSA-N 0 1 277.327 3.826 20 0 CHADMN CCCCOC(=O)Nc1ccc(Nc2ccncc2)cc1 ZINC001209913773 1134101125 /nfs/dbraw/zinc/10/11/25/1134101125.db2.gz ZEEXOADSQSIOPD-UHFFFAOYSA-N 0 1 285.347 3.596 20 0 CHADMN Nc1nc2ccccc2n1-c1ccc(C(F)(F)F)c(F)c1 ZINC001209911815 1134101160 /nfs/dbraw/zinc/10/11/60/1134101160.db2.gz RKDJIYONVQBCAV-UHFFFAOYSA-N 0 1 295.239 3.766 20 0 CHADMN C=Cc1cccc(Nc2cc(C)nn2-c2ccncc2)c1 ZINC001209917921 1134101598 /nfs/dbraw/zinc/10/15/98/1134101598.db2.gz JSMWVEBTBJKIIP-UHFFFAOYSA-N 0 1 276.343 3.962 20 0 CHADMN Cc1ccc2nc(Nc3cnc(N)cc3C)sc2c1 ZINC001209961864 1134110844 /nfs/dbraw/zinc/11/08/44/1134110844.db2.gz NVXCJMBQQJWNKL-UHFFFAOYSA-N 0 1 270.361 3.634 20 0 CHADMN Cc1nc2cc(Nc3cnc(N)cc3C)ccc2s1 ZINC001209965936 1134111171 /nfs/dbraw/zinc/11/11/71/1134111171.db2.gz JILQQJMWKFISFT-UHFFFAOYSA-N 0 1 270.361 3.634 20 0 CHADMN Cc1cc(N)ncc1Nc1ccnn1-c1ccc(Cl)cc1 ZINC001209966604 1134111222 /nfs/dbraw/zinc/11/12/22/1134111222.db2.gz GYOGQXXKDVNZMH-UHFFFAOYSA-N 0 1 299.765 3.555 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc2ccc(O)cc21 ZINC001209969585 1134112177 /nfs/dbraw/zinc/11/21/77/1134112177.db2.gz MFLKVLMLKZQRNB-UHFFFAOYSA-N 0 1 265.316 3.575 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc2c(c1)CCCC2 ZINC001209969867 1134112999 /nfs/dbraw/zinc/11/29/99/1134112999.db2.gz SIKVOKWPYFCOOK-UHFFFAOYSA-N 0 1 253.349 3.595 20 0 CHADMN Cc1[nH+]c2ccccn2c1Nc1cc(C(=O)[O-])cc(F)c1C ZINC001210007768 1134121590 /nfs/dbraw/zinc/12/15/90/1134121590.db2.gz SUJOGHIIVUFOGJ-UHFFFAOYSA-N 0 1 299.305 3.532 20 0 CHADMN Cc1cccc(Nc2cccc(N3CCN(C)CC3)c2)c1F ZINC001210037801 1134129489 /nfs/dbraw/zinc/12/94/89/1134129489.db2.gz JICRAXOQOLXSPA-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN CCCCC=Nc1ncc(Cl)nc1Br ZINC001210058700 1134139904 /nfs/dbraw/zinc/13/99/04/1134139904.db2.gz PWFVBEQQUBUWNS-SNAWJCMRSA-N 0 1 276.565 3.618 20 0 CHADMN O=C([O-])Cc1cccc(Nc2cccc3cc[nH+]cc32)c1 ZINC001210071192 1134140428 /nfs/dbraw/zinc/14/04/28/1134140428.db2.gz HRXKZFRQTIEBSL-UHFFFAOYSA-N 0 1 278.311 3.606 20 0 CHADMN COc1cc(F)ccc1Nc1cc2cn[nH]c2cc1C ZINC001210101258 1134145533 /nfs/dbraw/zinc/14/55/33/1134145533.db2.gz CLSNLXLAFIWQIP-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN COc1cc(Nc2cc3cn[nH]c3cc2C)ccc1F ZINC001210101274 1134145744 /nfs/dbraw/zinc/14/57/44/1134145744.db2.gz CQPDYFZCQWCZKI-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccnn1C1CCC1 ZINC001210101007 1134145797 /nfs/dbraw/zinc/14/57/97/1134145797.db2.gz AIIIGNIGWTVWBJ-UHFFFAOYSA-N 0 1 267.336 3.536 20 0 CHADMN CNc1ccnc(Cl)c1Nc1cc2cn[nH]c2cc1C ZINC001210100250 1134145955 /nfs/dbraw/zinc/14/59/55/1134145955.db2.gz JRGWUGMZKPYBBO-UHFFFAOYSA-N 0 1 287.754 3.705 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cnc(Cl)cc1C ZINC001210100676 1134145978 /nfs/dbraw/zinc/14/59/78/1134145978.db2.gz YACIFXQZOYCAHM-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1c(Cl)cncc1Cl ZINC001210100162 1134146136 /nfs/dbraw/zinc/14/61/36/1134146136.db2.gz HKZWBKGRDZYRCO-UHFFFAOYSA-N 0 1 293.157 3.739 20 0 CHADMN COc1ccc(Nc2cc3cn[nH]c3cc2C)cc1OC ZINC001210101959 1134146397 /nfs/dbraw/zinc/14/63/97/1134146397.db2.gz JRNQBZFGYIQMCM-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN COc1ccc(Nc2cc3cn[nH]c3cc2C)c(F)c1 ZINC001210101528 1134146671 /nfs/dbraw/zinc/14/66/71/1134146671.db2.gz HJNGSPYPWCNUAY-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN CC(=O)Nc1cc(Nc2cc3cn[nH]c3cc2C)ccc1C ZINC001210102381 1134147003 /nfs/dbraw/zinc/14/70/03/1134147003.db2.gz MKYHIGCNJPZIBV-UHFFFAOYSA-N 0 1 294.358 3.882 20 0 CHADMN Cc1cnc(Cl)c(Nc2cc3cn[nH]c3cc2C)c1N ZINC001210102154 1134147018 /nfs/dbraw/zinc/14/70/18/1134147018.db2.gz LZMCUEIJQOLOEY-UHFFFAOYSA-N 0 1 287.754 3.554 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2c1cnn2C ZINC001210103038 1134147379 /nfs/dbraw/zinc/14/73/79/1134147379.db2.gz SIUHJLPWFMOWCD-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2c(c1)C(=O)CC2 ZINC001210103551 1134148011 /nfs/dbraw/zinc/14/80/11/1134148011.db2.gz WXGKFCZYSKUOLI-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN COc1c(F)ccc(Nc2cc3cn[nH]c3cc2C)c1F ZINC001210105041 1134148081 /nfs/dbraw/zinc/14/80/81/1134148081.db2.gz IWQYRSJHAPWYAK-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN COC(=O)c1cc(Nc2cc3cn[nH]c3cc2C)ccc1F ZINC001210103546 1134148465 /nfs/dbraw/zinc/14/84/65/1134148465.db2.gz WVGYXOSACNHLMV-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2cnoc21 ZINC001210105544 1134149084 /nfs/dbraw/zinc/14/90/84/1134149084.db2.gz GDIPEZKFPFJYHP-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2c(c1C)OCCO2 ZINC001210107040 1134149406 /nfs/dbraw/zinc/14/94/06/1134149406.db2.gz ZARFQULMGPTSAG-UHFFFAOYSA-N 0 1 295.342 3.695 20 0 CHADMN c1nnc(Nc2ccc3oc4ccccc4c3c2)o1 ZINC001210639127 1134264797 /nfs/dbraw/zinc/26/47/97/1134264797.db2.gz YADLFNHFLLOAIN-UHFFFAOYSA-N 0 1 251.245 3.713 20 0 CHADMN c1cn2cc(Nc3cccc(OC4CC4)c3)ccc2n1 ZINC001210859440 1134313710 /nfs/dbraw/zinc/31/37/10/1134313710.db2.gz UOFPSYCXKJGHBW-UHFFFAOYSA-N 0 1 265.316 3.619 20 0 CHADMN C[N@H+]1CCc2ccc(Nc3cccc([S-])c3)cc2C1 ZINC001210949663 1134337645 /nfs/dbraw/zinc/33/76/45/1134337645.db2.gz KNPVJWLVOKTJSJ-UHFFFAOYSA-N 0 1 270.401 3.707 20 0 CHADMN C=C(Nc1cc(C)nn1-c1ccncc1)c1ccccc1 ZINC001210982587 1134341218 /nfs/dbraw/zinc/34/12/18/1134341218.db2.gz CJWSERYPIZIWBC-UHFFFAOYSA-N 0 1 276.343 3.659 20 0 CHADMN O=C([O-])c1ccccc1Nc1ccc2c[nH+]ccc2c1 ZINC001210965464 1134341316 /nfs/dbraw/zinc/34/13/16/1134341316.db2.gz PKTWNOOLOKNSQD-UHFFFAOYSA-N 0 1 264.284 3.677 20 0 CHADMN CC(=Nc1ccccc1OC1COC1)c1ccccc1 ZINC001210989793 1134343665 /nfs/dbraw/zinc/34/36/65/1134343665.db2.gz XYOGMDBDQFERRA-UHFFFAOYSA-N 0 1 267.328 3.547 20 0 CHADMN Clc1nc(Cl)c(Nc2nccs2)nc1Cl ZINC001210990070 1134344042 /nfs/dbraw/zinc/34/40/42/1134344042.db2.gz KFKZKNXFDFDXFL-UHFFFAOYSA-N 0 1 281.555 3.637 20 0 CHADMN CC(C)(C)OC(=O)c1ccsc1Nc1nccs1 ZINC001210990773 1134345091 /nfs/dbraw/zinc/34/50/91/1134345091.db2.gz KMBDLAVBUDAQPG-UHFFFAOYSA-N 0 1 282.390 3.904 20 0 CHADMN Cn1cncc1Nc1cnc2ccccc2c1C(F)(F)F ZINC001211247137 1134398446 /nfs/dbraw/zinc/39/84/46/1134398446.db2.gz KCKLXNZCWDMFDM-UHFFFAOYSA-N 0 1 292.264 3.731 20 0 CHADMN Cn1cncc1Nc1ccc(-c2cccs2)cc1 ZINC001211249461 1134398721 /nfs/dbraw/zinc/39/87/21/1134398721.db2.gz SBKAGMNCKBTBCC-UHFFFAOYSA-N 0 1 255.346 3.892 20 0 CHADMN Cn1cncc1Nc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001211250678 1134399409 /nfs/dbraw/zinc/39/94/09/1134399409.db2.gz QUJQSWMMGONVOJ-UHFFFAOYSA-N 0 1 288.351 3.511 20 0 CHADMN Cn1cncc1Nc1c(Cl)cccc1OC(F)(F)F ZINC001211251218 1134399847 /nfs/dbraw/zinc/39/98/47/1134399847.db2.gz VZYSBRVAUKIKRN-UHFFFAOYSA-N 0 1 291.660 3.716 20 0 CHADMN Cc1c(Br)ccc(Nc2cncn2C)c1C ZINC001211249802 1134400054 /nfs/dbraw/zinc/40/00/54/1134400054.db2.gz BQUHNDFGYKCXQA-UHFFFAOYSA-N 0 1 280.169 3.543 20 0 CHADMN Cn1cncc1Nc1cc(Br)ccc1Cl ZINC001211250608 1134400008 /nfs/dbraw/zinc/40/00/08/1134400008.db2.gz NXNMXOQSZSHTGG-UHFFFAOYSA-N 0 1 286.560 3.580 20 0 CHADMN Cn1cncc1Nc1c(F)cccc1OC1CCCC1 ZINC001211252438 1134400017 /nfs/dbraw/zinc/40/00/17/1134400017.db2.gz MTHCANXXYPBWBZ-UHFFFAOYSA-N 0 1 275.327 3.624 20 0 CHADMN Cn1cncc1Nc1ccc(/C=C/c2ccc(N)cc2)cc1 ZINC001211251189 1134400028 /nfs/dbraw/zinc/40/00/28/1134400028.db2.gz ZEPFBJYVYHSRQX-NSCUHMNNSA-N 0 1 290.370 3.916 20 0 CHADMN Cn1cncc1Nc1c(Cl)cc(F)cc1C1CC1 ZINC001211253819 1134400116 /nfs/dbraw/zinc/40/01/16/1134400116.db2.gz LUZKTYHGBAPUKV-UHFFFAOYSA-N 0 1 265.719 3.834 20 0 CHADMN COc1cnccc1Nc1ccc2nc(Cl)sc2c1 ZINC001211263447 1134400170 /nfs/dbraw/zinc/40/01/70/1134400170.db2.gz RMJVZMPZWIETHU-UHFFFAOYSA-N 0 1 291.763 3.519 20 0 CHADMN Cn1cncc1Nc1ccc(Cl)c(Cl)c1F ZINC001211251383 1134400276 /nfs/dbraw/zinc/40/02/76/1134400276.db2.gz ZDUAILJEMLZJLO-UHFFFAOYSA-N 0 1 260.099 3.610 20 0 CHADMN COc1cnccc1Nc1c(C)cccc1C(F)(F)F ZINC001211261052 1134400352 /nfs/dbraw/zinc/40/03/52/1134400352.db2.gz YWALUMWCOCMYBY-UHFFFAOYSA-N 0 1 282.265 3.583 20 0 CHADMN Cc1ccc(Oc2ccc(Nc3cncn3C)cc2C)cn1 ZINC001211251253 1134400503 /nfs/dbraw/zinc/40/05/03/1134400503.db2.gz CFHWSGATVUNTMR-UHFFFAOYSA-N 0 1 294.358 3.968 20 0 CHADMN Oc1cc(F)c(-c2cccnc2C(F)F)cc1F ZINC001211338345 1134410364 /nfs/dbraw/zinc/41/03/64/1134410364.db2.gz CQINWZHCQGEOMG-UHFFFAOYSA-N 0 1 257.186 3.670 20 0 CHADMN CC[NH+](CC)Cc1cncc(-c2cc(F)c([O-])cc2F)c1 ZINC001211352366 1134411175 /nfs/dbraw/zinc/41/11/75/1134411175.db2.gz LERGVKMRGIPXPD-UHFFFAOYSA-N 0 1 292.329 3.574 20 0 CHADMN Cc1nc2cc(Nc3cnc(Cl)cc3C)ccc2[nH]1 ZINC001213070417 1134419110 /nfs/dbraw/zinc/41/91/10/1134419110.db2.gz PFYIMLOHQLQYCM-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1nc2cc(Nc3cccnc3C3CC3)ccc2[nH]1 ZINC001213072488 1134420664 /nfs/dbraw/zinc/42/06/64/1134420664.db2.gz WFZYCMPENVAGRD-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN COc1cc(Nc2ccc3[nH]c(C)nc3c2)ccc1C ZINC001213074286 1134420801 /nfs/dbraw/zinc/42/08/01/1134420801.db2.gz NKZMKWAWKTXZNH-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1nc2cc(Nc3c(C)ccnc3C)ccc2[nH]1 ZINC001213071511 1134421010 /nfs/dbraw/zinc/42/10/10/1134421010.db2.gz VUHIZCAWIKPTJU-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN COC(=O)c1cc(Nc2ccc3[nH]c(C)nc3c2)ccc1C ZINC001213074275 1134421271 /nfs/dbraw/zinc/42/12/71/1134421271.db2.gz MVCRYRDHCUHXCA-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN CSc1cc(Nc2ccnc(C(C)(C)C)c2)n(C)n1 ZINC001213164728 1134433118 /nfs/dbraw/zinc/43/31/18/1134433118.db2.gz ZPTSXGUUHOSVAP-UHFFFAOYSA-N 0 1 276.409 3.578 20 0 CHADMN COC(=O)c1cc(F)cc(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213075640 1134422713 /nfs/dbraw/zinc/42/27/13/1134422713.db2.gz XVOGJJRVFKUQAB-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN O=C1CCCc2cc(Nc3nnc(-c4ccco4)o3)ccc21 ZINC001213101131 1134426820 /nfs/dbraw/zinc/42/68/20/1134426820.db2.gz JFRSXEDOZOWFPQ-UHFFFAOYSA-N 0 1 295.298 3.592 20 0 CHADMN Cc1cnc(Nc2ccnc(C(C)(C)C)c2)c(Cl)n1 ZINC001213162918 1134433039 /nfs/dbraw/zinc/43/30/39/1134433039.db2.gz MJNLBIDYQRHZHA-UHFFFAOYSA-N 0 1 276.771 3.875 20 0 CHADMN Cc1cc(O)cnc1Nc1ccnc(C(C)(C)C)c1 ZINC001213161006 1134433383 /nfs/dbraw/zinc/43/33/83/1134433383.db2.gz XXFZPXDUNJSKJQ-UHFFFAOYSA-N 0 1 257.337 3.532 20 0 CHADMN CCOc1ccc(Nc2cncn2C)c(C(F)(F)F)c1 ZINC001213234517 1134436828 /nfs/dbraw/zinc/43/68/28/1134436828.db2.gz XRWAPGQJMMTUOQ-UHFFFAOYSA-N 0 1 285.269 3.581 20 0 CHADMN Fc1ccc(-c2noc(-c3cc(Cl)[nH]n3)n2)c(Cl)c1 ZINC001213498225 1134455458 /nfs/dbraw/zinc/45/54/58/1134455458.db2.gz CVXIRODUVSQWPH-UHFFFAOYSA-N 0 1 299.092 3.573 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)CN2CCC(C)CC2)cc1 ZINC000301492598 1134478030 /nfs/dbraw/zinc/47/80/30/1134478030.db2.gz NGQQMXOHJSHYHM-HNNXBMFYSA-N 0 1 288.435 3.871 20 0 CHADMN Cc1cc(C2CC2)ccc1Nc1ccnc(CO)c1 ZINC001213862217 1134492165 /nfs/dbraw/zinc/49/21/65/1134492165.db2.gz KLQDWGMZQCRWCT-UHFFFAOYSA-N 0 1 254.333 3.503 20 0 CHADMN Cc1ccc2nc(N)n(-c3cc(F)c(Cl)cc3F)c2c1 ZINC001213934756 1134498585 /nfs/dbraw/zinc/49/85/85/1134498585.db2.gz BKOSECXKWVEBPY-UHFFFAOYSA-N 0 1 293.704 3.848 20 0 CHADMN Cc1ccc2nc(N)n(-c3c(Cl)ccc(F)c3F)c2c1 ZINC001213942714 1134499132 /nfs/dbraw/zinc/49/91/32/1134499132.db2.gz HBILYQRELGRBSG-UHFFFAOYSA-N 0 1 293.704 3.848 20 0 CHADMN Cc1cc(N)ccc1Nc1ccncc1Oc1ccccc1 ZINC001214105635 1134511669 /nfs/dbraw/zinc/51/16/69/1134511669.db2.gz HXOJNOMJPBJQRZ-UHFFFAOYSA-N 0 1 291.354 3.930 20 0 CHADMN C[NH+](C)Cc1ccccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214489721 1134544755 /nfs/dbraw/zinc/54/47/55/1134544755.db2.gz ILSJQHJROAVZIG-UHFFFAOYSA-N 0 1 294.757 3.990 20 0 CHADMN C[NH+](C)Cc1ccc(Nc2cc(F)c([O-])c(Cl)c2)cc1 ZINC001214489231 1134545242 /nfs/dbraw/zinc/54/52/42/1134545242.db2.gz YQPAGOZVTMBJAP-UHFFFAOYSA-N 0 1 294.757 3.990 20 0 CHADMN Fc1ccc(Cl)c(Cl)c1Nc1ccncc1 ZINC001214503156 1134546361 /nfs/dbraw/zinc/54/63/61/1134546361.db2.gz DANRNHPTUYCUHV-UHFFFAOYSA-N 0 1 257.095 3.693 20 0 CHADMN Cc1ncc(Nc2c(F)ccc(Cl)c2Cl)n1C ZINC001214508028 1134547010 /nfs/dbraw/zinc/54/70/10/1134547010.db2.gz XAAYLRGDTGJYDU-UHFFFAOYSA-N 0 1 274.126 3.918 20 0 CHADMN Cc1cc[nH+]c(C)c1Nc1cc(C(=O)[O-])c(Cl)cc1F ZINC001214738602 1134567771 /nfs/dbraw/zinc/56/77/71/1134567771.db2.gz NORYPDAJCRNMER-UHFFFAOYSA-N 0 1 294.713 3.933 20 0 CHADMN Cc1csc(Nc2ccc(Cl)c(O)c2F)n1 ZINC001214790957 1134573145 /nfs/dbraw/zinc/57/31/45/1134573145.db2.gz CPJXWTARPZPSIC-UHFFFAOYSA-N 0 1 258.705 3.693 20 0 CHADMN Cc1cc(C[C@@H](C)Nc2ccc(Cl)c(O)c2F)on1 ZINC001214791569 1134573784 /nfs/dbraw/zinc/57/37/84/1134573784.db2.gz YCTRHOIMKMLYBW-SSDOTTSWSA-N 0 1 284.718 3.524 20 0 CHADMN Oc1c(Cl)ccc(Nc2cn(CC3CC3)cn2)c1F ZINC001214797903 1134574221 /nfs/dbraw/zinc/57/42/21/1134574221.db2.gz JBTRPAPPFUWOMV-UHFFFAOYSA-N 0 1 281.718 3.535 20 0 CHADMN COc1ccc(Nc2ccc(Cl)c(O)c2F)c(OC)c1 ZINC001214803637 1134574750 /nfs/dbraw/zinc/57/47/50/1134574750.db2.gz AOPDGAGHQBFNRH-UHFFFAOYSA-N 0 1 297.713 3.946 20 0 CHADMN COc1ccc(OC)c(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214799383 1134575284 /nfs/dbraw/zinc/57/52/84/1134575284.db2.gz UZPORWDCWIYWQU-UHFFFAOYSA-N 0 1 297.713 3.946 20 0 CHADMN CN(C)c1cccc(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214804647 1134576117 /nfs/dbraw/zinc/57/61/17/1134576117.db2.gz VTWAXKNVOSQYAU-UHFFFAOYSA-N 0 1 280.730 3.994 20 0 CHADMN CC[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000401245419 1134607427 /nfs/dbraw/zinc/60/74/27/1134607427.db2.gz DFMLOEZZPQFNKH-HLLBOEOZSA-N 0 1 281.440 3.636 20 0 CHADMN FC(F)Oc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000401536902 1134615827 /nfs/dbraw/zinc/61/58/27/1134615827.db2.gz FRQZSFJQWAPOMY-GFCCVEGCSA-N 0 1 279.290 3.501 20 0 CHADMN FC(F)(F)c1cccc(N[C@@H]2CCCc3[nH]ncc32)c1 ZINC000401553138 1134616811 /nfs/dbraw/zinc/61/68/11/1134616811.db2.gz RAEAABPARSEVLY-GFCCVEGCSA-N 0 1 281.281 3.918 20 0 CHADMN FC(F)(F)c1cccc(N[C@H]2CCCc3[nH]ncc32)c1 ZINC000401553140 1134616936 /nfs/dbraw/zinc/61/69/36/1134616936.db2.gz RAEAABPARSEVLY-LBPRGKRZSA-N 0 1 281.281 3.918 20 0 CHADMN Cc1ccc2cccc(N[C@@H]3CCCc4[nH]ncc43)c2n1 ZINC000401604828 1134618291 /nfs/dbraw/zinc/61/82/91/1134618291.db2.gz HTGGWNQASAOJML-CQSZACIVSA-N 0 1 278.359 3.756 20 0 CHADMN Cc1c(Cl)cccc1N[C@@H]1CCCc2[nH]ncc21 ZINC000401609286 1134618369 /nfs/dbraw/zinc/61/83/69/1134618369.db2.gz LNQVLFOPWIMTBX-CYBMUJFWSA-N 0 1 261.756 3.861 20 0 CHADMN CCCOc1ccccc1N[C@@H]1CCCc2[nH]ncc21 ZINC000401701694 1134619113 /nfs/dbraw/zinc/61/91/13/1134619113.db2.gz ABAGDEOFXDPWFZ-CYBMUJFWSA-N 0 1 271.364 3.688 20 0 CHADMN Cc1cc(CNCc2cccc(Cl)c2)cc(Cl)n1 ZINC000401951500 1134627191 /nfs/dbraw/zinc/62/71/91/1134627191.db2.gz MKCHHODLFVULMT-UHFFFAOYSA-N 0 1 281.186 3.987 20 0 CHADMN CCCCOc1ccc(Nc2ccnc(CO)c2)c(F)c1 ZINC001215481668 1134631868 /nfs/dbraw/zinc/63/18/68/1134631868.db2.gz SUWZDSDZDYXBKD-UHFFFAOYSA-N 0 1 290.338 3.636 20 0 CHADMN COc1nccc(Nc2cc3[nH]ncc3c(F)c2)c1Cl ZINC001215552777 1134639518 /nfs/dbraw/zinc/63/95/18/1134639518.db2.gz DMXVMHWEDMTEET-UHFFFAOYSA-N 0 1 292.701 3.503 20 0 CHADMN CC(C)(C)c1nccc(Nc2cc3[nH]ncc3c(F)c2)n1 ZINC001215554768 1134641009 /nfs/dbraw/zinc/64/10/09/1134641009.db2.gz HDEPMYFEQPPOFY-UHFFFAOYSA-N 0 1 285.326 3.533 20 0 CHADMN Fc1cc(F)c(F)c(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215555628 1134641320 /nfs/dbraw/zinc/64/13/20/1134641320.db2.gz KTAVYECAJSPWIT-UHFFFAOYSA-N 0 1 281.212 3.863 20 0 CHADMN COC(=O)c1cc(C)cc(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215558449 1134642051 /nfs/dbraw/zinc/64/20/51/1134642051.db2.gz RTNJNHVRGWEEMW-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1cc(N)c(Cl)cc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215556336 1134642069 /nfs/dbraw/zinc/64/20/69/1134642069.db2.gz APRVPJZPUGOSIR-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN CCOc1c(F)cccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215558786 1134642736 /nfs/dbraw/zinc/64/27/36/1134642736.db2.gz XEYBRQAIQDADGN-UHFFFAOYSA-N 0 1 289.285 3.983 20 0 CHADMN OCc1ccc(Nc2cc3[nH]ncc3c(F)c2)c(Cl)c1 ZINC001215560071 1134643551 /nfs/dbraw/zinc/64/35/51/1134643551.db2.gz ZLCWRDDHJVXHAX-UHFFFAOYSA-N 0 1 291.713 3.591 20 0 CHADMN CCc1cccnc1Nc1ccc(C)c2[nH]ncc21 ZINC001215755526 1134675272 /nfs/dbraw/zinc/67/52/72/1134675272.db2.gz UYIVIPSFAKJUSL-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN COc1cccc(Nc2ccc(C)c3[nH]ncc32)c1OC ZINC001215757224 1134676081 /nfs/dbraw/zinc/67/60/81/1134676081.db2.gz OEAJGCZHYAUTPU-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN Cc1ccc(N2c3ccc(N)cc3CC[C@@H]2C)c2cn[nH]c21 ZINC001215757724 1134676343 /nfs/dbraw/zinc/67/63/43/1134676343.db2.gz YFLMSTUORJKPOM-LBPRGKRZSA-N 0 1 292.386 3.926 20 0 CHADMN Cc1ccc(Nc2ccc3ocnc3c2)c2cn[nH]c21 ZINC001215757701 1134676448 /nfs/dbraw/zinc/67/64/48/1134676448.db2.gz XIDOHCZWVKXQTJ-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN COC(=O)c1cc(F)cc(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215759750 1134677043 /nfs/dbraw/zinc/67/70/43/1134677043.db2.gz SZDVVXKIIUIHEE-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN COc1cccc(Nc2ccc(C)c3[nH]ncc32)c1C ZINC001215758747 1134677268 /nfs/dbraw/zinc/67/72/68/1134677268.db2.gz WPQMEBWXIUBYFR-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN CC(=O)c1ccc(Nc2ccc(C)c3[nH]ncc32)cc1O ZINC001215758808 1134677523 /nfs/dbraw/zinc/67/75/23/1134677523.db2.gz YIVZIVOSNGTVOJ-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN Cc1ccc(Nc2cccc3nnsc32)c2cn[nH]c21 ZINC001215760872 1134678843 /nfs/dbraw/zinc/67/88/43/1134678843.db2.gz ZJPLKNPGZBAJCD-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1c(F)cccc1-c1noc(-c2c(O)cccc2F)n1 ZINC001215775848 1134683704 /nfs/dbraw/zinc/68/37/04/1134683704.db2.gz DUWALNXBOUAUOH-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Cc1ccc(-c2noc(-c3c(O)cccc3F)n2)cc1C ZINC001215775843 1134683902 /nfs/dbraw/zinc/68/39/02/1134683902.db2.gz DOWNUBYFZYQRTG-UHFFFAOYSA-N 0 1 284.290 3.865 20 0 CHADMN Clc1cc2[nH]ncc2c(Nc2ccc3c(c2)CCO3)c1 ZINC001215860618 1134705494 /nfs/dbraw/zinc/70/54/94/1134705494.db2.gz GRLZVTPGKYQYFP-UHFFFAOYSA-N 0 1 285.734 3.895 20 0 CHADMN Oc1c(F)cccc1-c1nc(-c2ncccc2C2CC2)no1 ZINC001215867385 1134708127 /nfs/dbraw/zinc/70/81/27/1134708127.db2.gz VIXILFBAEOKPJW-UHFFFAOYSA-N 0 1 297.289 3.521 20 0 CHADMN CSc1cc(F)cc(-n2c(N)nc3ccc(C)cc32)c1 ZINC001215903333 1134714629 /nfs/dbraw/zinc/71/46/29/1134714629.db2.gz WSVBIOJMCAYHPU-UHFFFAOYSA-N 0 1 287.363 3.777 20 0 CHADMN COc1ccc(-n2c(N)nc3c2cccc3C)c(C)c1C ZINC001215971501 1134736346 /nfs/dbraw/zinc/73/63/46/1134736346.db2.gz FBTRBHXCYJVBRO-UHFFFAOYSA-N 0 1 281.359 3.542 20 0 CHADMN Cc1ccc2nc(N)n(-c3cc(C(C)C)ccc3N)c2c1 ZINC001216018978 1134750963 /nfs/dbraw/zinc/75/09/63/1134750963.db2.gz CETWLHOGPQCUCI-UHFFFAOYSA-N 0 1 280.375 3.622 20 0 CHADMN CN(C)Cc1cccc(Nc2cnc3ccccc3n2)c1F ZINC001216227538 1134812889 /nfs/dbraw/zinc/81/28/89/1134812889.db2.gz CCFYGDBGDMFZLM-UHFFFAOYSA-N 0 1 296.349 3.574 20 0 CHADMN Cc1ccc(Nc2cccc(CN(C)C)c2F)c(C)n1 ZINC001216226868 1134813944 /nfs/dbraw/zinc/81/39/44/1134813944.db2.gz FCBUNRACXUXRPX-UHFFFAOYSA-N 0 1 273.355 3.643 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc(F)cc2)c1F ZINC001216230901 1134815361 /nfs/dbraw/zinc/81/53/61/1134815361.db2.gz HVIPXHAKELOLIJ-UHFFFAOYSA-N 0 1 262.303 3.770 20 0 CHADMN C[C@@H](O)c1ccccc1Nc1cccc(CN(C)C)c1F ZINC001216231587 1134815743 /nfs/dbraw/zinc/81/57/43/1134815743.db2.gz FQMQHMSPUMQFIU-GFCCVEGCSA-N 0 1 288.366 3.684 20 0 CHADMN Cc1cc(Nc2cccc(CN(C)C)c2F)ccc1O ZINC001216231174 1134815962 /nfs/dbraw/zinc/81/59/62/1134815962.db2.gz UBYNJJRGQJKWGQ-UHFFFAOYSA-N 0 1 274.339 3.645 20 0 CHADMN CCc1ccc(Nc2cccc(CN(C)C)c2F)c(O)c1 ZINC001216231977 1134816054 /nfs/dbraw/zinc/81/60/54/1134816054.db2.gz RSFOSYADUOQLHN-UHFFFAOYSA-N 0 1 288.366 3.899 20 0 CHADMN Cc1cccc(Nc2cccc(CN(C)C)c2F)c1 ZINC001216231017 1134816197 /nfs/dbraw/zinc/81/61/97/1134816197.db2.gz NFRIGYXKPHUDFH-UHFFFAOYSA-N 0 1 258.340 3.939 20 0 CHADMN CCOc1ccc(C)c(Nc2ccc3nccn3c2)c1 ZINC001216236027 1134817641 /nfs/dbraw/zinc/81/76/41/1134817641.db2.gz URXOYZGTDZNPKA-UHFFFAOYSA-N 0 1 267.332 3.785 20 0 CHADMN CN(C)Cc1cccc(Nc2cc(O)cc(Cl)c2)c1F ZINC001216232766 1134817719 /nfs/dbraw/zinc/81/77/19/1134817719.db2.gz OGQAJNNCPZKMPL-UHFFFAOYSA-N 0 1 294.757 3.990 20 0 CHADMN COc1cc(-n2c(N)nc3ccc(C)cc32)ccc1C1CC1 ZINC001216248221 1134826429 /nfs/dbraw/zinc/82/64/29/1134826429.db2.gz IPDMGKARLPVFIK-UHFFFAOYSA-N 0 1 293.370 3.802 20 0 CHADMN Cc1[nH+]c2ccccn2c1Nc1cc(C)c(C(=O)[O-])c(C)c1 ZINC001216309948 1134845965 /nfs/dbraw/zinc/84/59/65/1134845965.db2.gz OZLFQDGPFBKIAN-UHFFFAOYSA-N 0 1 295.342 3.701 20 0 CHADMN Cc1c(Cl)cccc1Nc1cc(=O)[nH]c(Cl)n1 ZINC001216324876 1134854987 /nfs/dbraw/zinc/85/49/87/1134854987.db2.gz ODMHDZIVSKZHHH-UHFFFAOYSA-N 0 1 270.119 3.541 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(O)cc1Cl ZINC001216428406 1134893873 /nfs/dbraw/zinc/89/38/73/1134893873.db2.gz PIPJXDGZKMEINE-UHFFFAOYSA-N 0 1 291.713 3.884 20 0 CHADMN COc1ccccc1Nc1cncn1Cc1ccccc1 ZINC001216552433 1134919082 /nfs/dbraw/zinc/91/90/82/1134919082.db2.gz PPZNWMYQAUUVTB-UHFFFAOYSA-N 0 1 279.343 3.684 20 0 CHADMN Cc1ccc(N)cc1Nc1cncn1Cc1ccccc1 ZINC001216553069 1134919744 /nfs/dbraw/zinc/91/97/44/1134919744.db2.gz DRCDIRPJNLQGGK-UHFFFAOYSA-N 0 1 278.359 3.566 20 0 CHADMN COc1cc(Nc2cncn2Cc2ccccc2)ccc1F ZINC001216553470 1134919758 /nfs/dbraw/zinc/91/97/58/1134919758.db2.gz BUJZDXFGNOJNKR-UHFFFAOYSA-N 0 1 297.333 3.823 20 0 CHADMN COc1cc(C)ccc1Nc1cncn1Cc1ccccc1 ZINC001216553816 1134919950 /nfs/dbraw/zinc/91/99/50/1134919950.db2.gz OKJDTFBYPFMPHI-UHFFFAOYSA-N 0 1 293.370 3.992 20 0 CHADMN Cc1cccc(Nc2cncn2Cc2ccccc2)c1O ZINC001216553996 1134920085 /nfs/dbraw/zinc/92/00/85/1134920085.db2.gz SLWPUCVPWVQMFU-UHFFFAOYSA-N 0 1 279.343 3.689 20 0 CHADMN C[C@@H]1CN(Cc2cnc(Cl)s2)CCc2ccccc21 ZINC000404878780 1134950649 /nfs/dbraw/zinc/95/06/49/1134950649.db2.gz YPLUCXUBCYEWKH-LLVKDONJSA-N 0 1 292.835 3.958 20 0 CHADMN Cc1cccc(-c2noc(-c3cc(O)c(F)c(F)c3)n2)c1 ZINC001216974056 1134956740 /nfs/dbraw/zinc/95/67/40/1134956740.db2.gz XOLLRDLGVRFENY-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Cc1cc(F)ccc1-c1noc(-c2ccc3[nH]cnc3c2)n1 ZINC001217131455 1134964301 /nfs/dbraw/zinc/96/43/01/1134964301.db2.gz MNERJCYVZONUJR-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Clc1ccccc1-c1noc(-c2cnc3[nH]cccc2-3)n1 ZINC001217144878 1134965775 /nfs/dbraw/zinc/96/57/75/1134965775.db2.gz BBLSWYOESXKLSH-UHFFFAOYSA-N 0 1 296.717 3.933 20 0 CHADMN Cc1cccc(-c2noc(-c3cnc4[nH]cccc3-4)n2)c1 ZINC001217146254 1134965789 /nfs/dbraw/zinc/96/57/89/1134965789.db2.gz PUMQLCIFWNKXOA-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN Cc1ccc(-c2noc(-c3nc4ccc(C)cc4[nH]3)n2)cc1 ZINC001217257391 1134968895 /nfs/dbraw/zinc/96/88/95/1134968895.db2.gz PYDRZTZXPBZAFP-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Cc1cccc2nc(-c3nc(-c4cccc(F)c4)no3)[nH]c21 ZINC001217335915 1134972816 /nfs/dbraw/zinc/97/28/16/1134972816.db2.gz KLBNCMKIMUCQDW-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1n[nH]c2ccc(-c3nc(-c4cccc(C)c4)no3)cc12 ZINC001217574931 1134984255 /nfs/dbraw/zinc/98/42/55/1134984255.db2.gz GJJRAOXQXGETNN-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H]2c2nnc([C@@H]3CC[C@@H](C)CN3)o2)cc1 ZINC001217701311 1134987419 /nfs/dbraw/zinc/98/74/19/1134987419.db2.gz DFTJNHLTPKUCOE-OEAJRASXSA-N 0 1 297.402 3.710 20 0 CHADMN CN[C@H](C)c1nnc(-c2cccc(Oc3ccccc3)c2)o1 ZINC001217697047 1134987538 /nfs/dbraw/zinc/98/75/38/1134987538.db2.gz UBMLVTJGYOHZOQ-GFCCVEGCSA-N 0 1 295.342 3.809 20 0 CHADMN c1ccc(Oc2ccc(-c3nnc([C@H]4CCN4)o3)cc2)cc1 ZINC001217719095 1134990625 /nfs/dbraw/zinc/99/06/25/1134990625.db2.gz VUKOBBBGGVFPQU-OAHLLOKOSA-N 0 1 293.326 3.563 20 0 CHADMN CC(C)C[C@@](C)(N)c1nnc(Cc2ccccc2Cl)o1 ZINC001217732830 1134991774 /nfs/dbraw/zinc/99/17/74/1134991774.db2.gz GOLISNVNELVLNS-OAHLLOKOSA-N 0 1 293.798 3.534 20 0 CHADMN Cc1ccc([C@H]2C[C@H]2c2nnc([C@](C)(N)CC(C)C)o2)cc1 ZINC001217732594 1134992348 /nfs/dbraw/zinc/99/23/48/1134992348.db2.gz DUDXKKNGBXONLY-IIDMSEBBSA-N 0 1 299.418 3.869 20 0 CHADMN CC[C@H](C)[C@H](NC)c1nnc([C@H]2C[C@H]2c2ccc(C)cc2)o1 ZINC001217723004 1134992870 /nfs/dbraw/zinc/99/28/70/1134992870.db2.gz KPLQBCWNCNLORZ-TUUVXOQKSA-N 0 1 299.418 3.956 20 0 CHADMN NCc1ncc(OC2CCCCCCCCCCC2)cn1 ZINC001218302611 1135082761 /nfs/dbraw/zinc/08/27/61/1135082761.db2.gz HCPRJTUCVIUHRS-UHFFFAOYSA-N 0 1 291.439 3.987 20 0 CHADMN COc1ccc([C@H](C)NCC=C(Cl)Cl)cc1F ZINC000407074777 1135091665 /nfs/dbraw/zinc/09/16/65/1135091665.db2.gz VWSHUEZAERPCGM-QMMMGPOBSA-N 0 1 278.154 3.804 20 0 CHADMN CCCCC[C@H]1CC[C@H](Oc2n[nH]c3c2CNCC3)CC1 ZINC001218352847 1135092757 /nfs/dbraw/zinc/09/27/57/1135092757.db2.gz NIRLFMMVZQOAKI-HDJSIYSDSA-N 0 1 291.439 3.573 20 0 CHADMN CC[C@@H]1CC[C@H](C)N(Cc2ncccc2Br)C1 ZINC000312883724 1135135676 /nfs/dbraw/zinc/13/56/76/1135135676.db2.gz VBWVPFKWAJCWBG-NWDGAFQWSA-N 0 1 297.240 3.855 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1cccc(O)c1Br ZINC000315816676 1135161173 /nfs/dbraw/zinc/16/11/73/1135161173.db2.gz JAPNBHTVPNXVAV-WDEREUQCSA-N 0 1 298.224 3.775 20 0 CHADMN Cc1noc([C@H](NCC[C@H](C)c2ccccc2)C(C)C)n1 ZINC000194440039 1135162664 /nfs/dbraw/zinc/16/26/64/1135162664.db2.gz CITNQDUKKHEAKO-XJKSGUPXSA-N 0 1 287.407 3.859 20 0 CHADMN C[N@H+]1CC[C@H](c2ccc(-c3cc(F)c(O)cc3F)cc2)C1 ZINC001222086112 1135191283 /nfs/dbraw/zinc/19/12/83/1135191283.db2.gz HJYURCIAWDNABQ-ZDUSSCGKSA-N 0 1 289.325 3.757 20 0 CHADMN C[N@@H+]1CC[C@H](c2ccc(-c3cc(F)c([O-])cc3F)cc2)C1 ZINC001222086112 1135191284 /nfs/dbraw/zinc/19/12/84/1135191284.db2.gz HJYURCIAWDNABQ-ZDUSSCGKSA-N 0 1 289.325 3.757 20 0 CHADMN C[N@H+]1CC[C@H](c2ccc(-c3cc(F)c([O-])cc3F)cc2)C1 ZINC001222086112 1135191285 /nfs/dbraw/zinc/19/12/85/1135191285.db2.gz HJYURCIAWDNABQ-ZDUSSCGKSA-N 0 1 289.325 3.757 20 0 CHADMN CN(C)Cc1ccc(-c2cccc(OC(F)(F)F)c2)nc1 ZINC001222318993 1135225332 /nfs/dbraw/zinc/22/53/32/1135225332.db2.gz KTPDNXDMQAWMHH-UHFFFAOYSA-N 0 1 296.292 3.709 20 0 CHADMN FC(F)(F)Oc1cccc(-c2ccc3cncn3c2)c1 ZINC001222323557 1135226002 /nfs/dbraw/zinc/22/60/02/1135226002.db2.gz SADQYDAIAOVRNB-UHFFFAOYSA-N 0 1 278.233 3.900 20 0 CHADMN CC[C@H](OCc1cnc[nH]1)c1ccc(Br)cc1 ZINC001222999737 1135293125 /nfs/dbraw/zinc/29/31/25/1135293125.db2.gz GVGXNMGINWXGQJ-ZDUSSCGKSA-N 0 1 295.180 3.840 20 0 CHADMN C[C@@H](OCc1cnc[nH]1)c1cccc(Br)c1F ZINC001223007648 1135293871 /nfs/dbraw/zinc/29/38/71/1135293871.db2.gz MZSRHBWTTWKWOG-MRVPVSSYSA-N 0 1 299.143 3.589 20 0 CHADMN Clc1ccccc1CN1CC[C@@H](OCc2ccco2)C1 ZINC001223050388 1135299660 /nfs/dbraw/zinc/29/96/60/1135299660.db2.gz LOWHPUAKMSOKGM-CQSZACIVSA-N 0 1 291.778 3.724 20 0 CHADMN Cc1ccc(CO[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001223186146 1135313774 /nfs/dbraw/zinc/31/37/74/1135313774.db2.gz OWZDTUKHYAXFCW-MRXNPFEDSA-N 0 1 287.428 3.848 20 0 CHADMN C[C@@H](OC1CCN(CCF)CC1)c1ccc(Cl)cc1 ZINC001223958616 1135403158 /nfs/dbraw/zinc/40/31/58/1135403158.db2.gz QBBUVOVDWGDMPM-GFCCVEGCSA-N 0 1 285.790 3.852 20 0 CHADMN CCCCCC[C@H](CCCC)OCCN1CCN(C)CC1 ZINC001224548654 1135459584 /nfs/dbraw/zinc/45/95/84/1135459584.db2.gz DWOVMVNXBYMHCX-SFHVURJKSA-N 0 1 298.515 3.780 20 0 CHADMN CC[C@H](C)CO[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001224667461 1135467612 /nfs/dbraw/zinc/46/76/12/1135467612.db2.gz GYYZDRQVYOTDAO-GOEBONIOSA-N 0 1 279.399 3.853 20 0 CHADMN CC[C@@H](CC1CCCCC1)N[C@H](C)c1csnn1 ZINC000720987786 1135504626 /nfs/dbraw/zinc/50/46/26/1135504626.db2.gz UVTBNCDHIGVONL-YPMHNXCESA-N 0 1 267.442 3.938 20 0 CHADMN Cc1ccccc1O[C@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001225216894 1135516322 /nfs/dbraw/zinc/51/63/22/1135516322.db2.gz OKZNFRSYWMLTPE-IRXDYDNUSA-N 0 1 296.414 3.994 20 0 CHADMN Cc1ccc(O[C@@H]2CC[N@H+]([C@H](C)c3ccccn3)C2)cc1C ZINC001225245188 1135524211 /nfs/dbraw/zinc/52/42/11/1135524211.db2.gz LKJHMQDMJGWXHY-SJLPKXTDSA-N 0 1 296.414 3.913 20 0 CHADMN C[C@@H](Oc1[nH]c(=O)ncc1F)c1ccc2ccccc2c1 ZINC001225882195 1135634011 /nfs/dbraw/zinc/63/40/11/1135634011.db2.gz QAILGDXCBFLDMM-SNVBAGLBSA-N 0 1 284.290 3.615 20 0 CHADMN C[C@H](Oc1cc(N)nc2ccccc21)C1CCCC1 ZINC001226422440 1135694400 /nfs/dbraw/zinc/69/44/00/1135694400.db2.gz MQSIZOQYWUEGOJ-NSHDSACASA-N 0 1 256.349 3.775 20 0 CHADMN C[C@@H](Oc1cc(N)nc2ccccc21)c1ccco1 ZINC001226423471 1135695448 /nfs/dbraw/zinc/69/54/48/1135695448.db2.gz XWUMDHZOSVJYCM-SNVBAGLBSA-N 0 1 254.289 3.550 20 0 CHADMN Cc1ccc2nc(O[C@H]3CCCc4cccnc43)[nH]c2c1 ZINC001226506262 1135704603 /nfs/dbraw/zinc/70/46/03/1135704603.db2.gz NHGWQCPKWXRXQJ-HNNXBMFYSA-N 0 1 279.343 3.723 20 0 CHADMN Cc1ccc2nc(O[C@H]3CCOc4ccccc43)[nH]c2c1 ZINC001226506279 1135704724 /nfs/dbraw/zinc/70/47/24/1135704724.db2.gz NJVQSIGFJOQBTP-INIZCTEOSA-N 0 1 280.327 3.774 20 0 CHADMN Cc1ccc2nc(O[C@@H](C)COc3ccccc3)[nH]c2c1 ZINC001226505983 1135704766 /nfs/dbraw/zinc/70/47/66/1135704766.db2.gz KKSHDJNEXTULSL-ZDUSSCGKSA-N 0 1 282.343 3.718 20 0 CHADMN Cc1ccc2nc(O[C@H]3CCc4c3nccc4Cl)[nH]c2c1 ZINC001226506913 1135705255 /nfs/dbraw/zinc/70/52/55/1135705255.db2.gz TUKOIUYBCBTETQ-AWEZNQCLSA-N 0 1 299.761 3.986 20 0 CHADMN Cc1ccc2nc(O[C@@H](C)COCc3ccccc3)[nH]c2c1 ZINC001226510466 1135706207 /nfs/dbraw/zinc/70/62/07/1135706207.db2.gz YRHUYYVJOFFVNU-AWEZNQCLSA-N 0 1 296.370 3.855 20 0 CHADMN CC(C)[C@H](Oc1nc2ccc(F)cc2[nH]1)C(F)(F)F ZINC001226701190 1135730129 /nfs/dbraw/zinc/73/01/29/1135730129.db2.gz MFPRFHLVKPYDRR-JTQLQIEISA-N 0 1 276.233 3.668 20 0 CHADMN C[C@@H](Oc1nc2ccc(F)cc2[nH]1)c1cccnc1Cl ZINC001226700822 1135730403 /nfs/dbraw/zinc/73/04/03/1135730403.db2.gz FTCQMKUNLVJNNK-MRVPVSSYSA-N 0 1 291.713 3.890 20 0 CHADMN CCCCCCC(=O)c1ccc(O[C@H]2CCN(C)C2)cc1 ZINC001226780524 1135741145 /nfs/dbraw/zinc/74/11/45/1135741145.db2.gz NSUYIWUTDJIZOX-KRWDZBQOSA-N 0 1 289.419 3.923 20 0 CHADMN c1nc2ccc(O[C@H]3CCc4ccccc43)cc2[nH]1 ZINC001226924907 1135761618 /nfs/dbraw/zinc/76/16/18/1135761618.db2.gz PWXGJXFUDYEUEJ-INIZCTEOSA-N 0 1 250.301 3.629 20 0 CHADMN Clc1ccnc2c1CC[C@@H]2Oc1ccc2nc[nH]c2c1 ZINC001226928172 1135761936 /nfs/dbraw/zinc/76/19/36/1135761936.db2.gz IGWDBAORXVTYBJ-AWEZNQCLSA-N 0 1 285.734 3.678 20 0 CHADMN FC(F)(F)[C@H](Oc1ccc2nc[nH]c2c1)c1cccnc1 ZINC001226929033 1135762569 /nfs/dbraw/zinc/76/25/69/1135762569.db2.gz WSEXUVFXUKGZFM-CYBMUJFWSA-N 0 1 293.248 3.640 20 0 CHADMN C[C@H](Oc1nc2ccc(Cl)cc2[nH]1)C(F)(F)F ZINC001227262239 1135812067 /nfs/dbraw/zinc/81/20/67/1135812067.db2.gz KITPFFOZIRWFAY-YFKPBYRVSA-N 0 1 264.634 3.546 20 0 CHADMN Cc1cccc2nc(O[C@@H]3CCOc4ccccc43)[nH]c21 ZINC001227267286 1135813357 /nfs/dbraw/zinc/81/33/57/1135813357.db2.gz ATYDEPBSXBNKRQ-OAHLLOKOSA-N 0 1 280.327 3.774 20 0 CHADMN Cc1ccc2nc(=O)[nH]c(O[C@@H](C)c3cccs3)c2c1 ZINC001227351668 1135825370 /nfs/dbraw/zinc/82/53/70/1135825370.db2.gz RUMMVTMUEZDAFJ-JTQLQIEISA-N 0 1 286.356 3.845 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](Cc2ccsc2C(=O)[O-])C1 ZINC000517750640 260114441 /nfs/dbraw/zinc/11/44/41/260114441.db2.gz QOQOFEDISNDGMM-OAHLLOKOSA-N 0 1 281.421 3.849 20 0 CHADMN Fc1ccc(CN[C@@H]2CCOc3c(F)cccc32)cc1 ZINC000082504183 178068613 /nfs/dbraw/zinc/06/86/13/178068613.db2.gz OTUKKNUMOXKPKE-OAHLLOKOSA-N 0 1 275.298 3.578 20 0 CHADMN CC[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)C[C@H](C)O1 ZINC000352721029 529396507 /nfs/dbraw/zinc/39/65/07/529396507.db2.gz YIFFGDKPUYJASQ-MAUKXSAKSA-N 0 1 296.414 3.748 20 0 CHADMN CCc1cccc(CNCC(=O)Nc2c(C)cccc2C)c1 ZINC000573378526 334933171 /nfs/dbraw/zinc/93/31/71/334933171.db2.gz LGMZHAXLRGLWEW-UHFFFAOYSA-N 0 1 296.414 3.594 20 0 CHADMN CC[C@@H]1c2ccsc2CCN1Cc1cnccc1C ZINC000353443438 529486510 /nfs/dbraw/zinc/48/65/10/529486510.db2.gz CBMFNHCDKOVPGC-OAHLLOKOSA-N 0 1 272.417 3.961 20 0 CHADMN CCc1cc(=O)[nH]c(CN(Cc2ccccc2)C(C)(C)C)n1 ZINC000353658240 529564978 /nfs/dbraw/zinc/56/49/78/529564978.db2.gz PVCMVYFWAJIISF-UHFFFAOYSA-N 0 1 299.418 3.545 20 0 CHADMN CC[C@H](NCc1ccc2sccc2c1)c1nccn1C ZINC000353570672 529629846 /nfs/dbraw/zinc/62/98/46/529629846.db2.gz FKHYWZFCGZQNCW-AWEZNQCLSA-N 0 1 285.416 3.876 20 0 CHADMN CCc1ccc(C2=CCN(Cc3conc3C)CC2)cc1 ZINC000352860573 529617755 /nfs/dbraw/zinc/61/77/55/529617755.db2.gz HWMNWJOXMPZSRT-UHFFFAOYSA-N 0 1 282.387 3.835 20 0 CHADMN CCc1ccc(CNCc2ccc(Cl)s2)cn1 ZINC000352770807 529653524 /nfs/dbraw/zinc/65/35/24/529653524.db2.gz LJLXCEGXCYMXQH-UHFFFAOYSA-N 0 1 266.797 3.649 20 0 CHADMN CC[C@H](N[C@H](c1nccn1C)C1CC1)c1cccc(F)c1 ZINC000353859413 529669145 /nfs/dbraw/zinc/66/91/45/529669145.db2.gz WNPCDINTBSIJGF-HOTGVXAUSA-N 0 1 287.382 3.751 20 0 CHADMN CCc1nc(CN(C)[C@@H](c2ccccc2C)C(C)C)n[nH]1 ZINC000354840787 529735432 /nfs/dbraw/zinc/73/54/32/529735432.db2.gz SGVAMLPXOFNPSN-QGZVFWFLSA-N 0 1 286.423 3.505 20 0 CHADMN CCc1nc(CN2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)n[nH]1 ZINC000354837536 529736079 /nfs/dbraw/zinc/73/60/79/529736079.db2.gz OXCAHWJQUXBYHP-KDOFPFPSSA-N 0 1 298.434 3.649 20 0 CHADMN CCc1ncc(CN[C@@H]2CCOc3c(C)cccc32)s1 ZINC000353202547 529756784 /nfs/dbraw/zinc/75/67/84/529756784.db2.gz BWAIPAOHHLTZRT-CQSZACIVSA-N 0 1 288.416 3.627 20 0 CHADMN CN(Cc1cc(Cl)cn1C)Cc1cccc2cc[nH]c21 ZINC000355025359 529978626 /nfs/dbraw/zinc/97/86/26/529978626.db2.gz UKMIOBMTEVJVQD-UHFFFAOYSA-N 0 1 287.794 3.792 20 0 CHADMN CN(Cc1ccoc1)Cc1cccc(C(F)F)c1 ZINC000347968477 530012977 /nfs/dbraw/zinc/01/29/77/530012977.db2.gz RJARJRLWIIVDRU-UHFFFAOYSA-N 0 1 251.276 3.849 20 0 CHADMN CN(Cc1ccoc1)Cc1cccc(-c2ccccn2)c1 ZINC000352649582 530013213 /nfs/dbraw/zinc/01/32/13/530013213.db2.gz LROOVUYSASNERO-UHFFFAOYSA-N 0 1 278.355 3.974 20 0 CHADMN CN(Cc1ccon1)C1CCC(C(C)(C)C)CC1 ZINC000353815711 530013620 /nfs/dbraw/zinc/01/36/20/530013620.db2.gz KTOQLARSASBFBE-UHFFFAOYSA-N 0 1 250.386 3.711 20 0 CHADMN Cc1ccc(CN[C@H](CO)c2ccccc2C)c(Cl)c1 ZINC000573808574 334967906 /nfs/dbraw/zinc/96/79/06/334967906.db2.gz MODCANAJRUPBIJ-QGZVFWFLSA-N 0 1 289.806 3.780 20 0 CHADMN CCC(CC)CN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000409445899 260407599 /nfs/dbraw/zinc/40/75/99/260407599.db2.gz QWMDBFXBMGIXEQ-INIZCTEOSA-N 0 1 265.372 3.635 20 0 CHADMN Cc1cccc(C)c1CNCc1ccc2c(n1)CCCC2 ZINC000444008045 370691512 /nfs/dbraw/zinc/69/15/12/370691512.db2.gz JCVVUUCPDYUZSK-UHFFFAOYSA-N 0 1 280.415 3.867 20 0 CHADMN CC[C@@H](NCc1nc(C)c(C)[nH]1)c1ccc(C)cc1 ZINC000574173954 334998396 /nfs/dbraw/zinc/99/83/96/334998396.db2.gz SZGZIIOVZZBSPD-OAHLLOKOSA-N 0 1 257.381 3.576 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1CC[C@H](C(=O)[O-])c1ccccc1 ZINC000574406203 335017292 /nfs/dbraw/zinc/01/72/92/335017292.db2.gz JPCVNTNTAKHSLA-CVEARBPZSA-N 0 1 275.392 3.509 20 0 CHADMN C[C@H](N(C)CC(=O)Nc1cc(Cl)ccc1F)C1(C)CC1 ZINC000177228792 261340825 /nfs/dbraw/zinc/34/08/25/261340825.db2.gz YKQZYBAQAZFVHL-JTQLQIEISA-N 0 1 298.789 3.538 20 0 CHADMN FC(F)[C@H]1C[C@@H]1NCc1ccc(Oc2ccccc2)o1 ZINC000574432033 335019291 /nfs/dbraw/zinc/01/92/91/335019291.db2.gz COPMQCUNHOYXIQ-STQMWFEESA-N 0 1 279.286 3.815 20 0 CHADMN CN(CCc1ccccn1)Cc1ccc(Cl)cc1F ZINC000171669571 261476881 /nfs/dbraw/zinc/47/68/81/261476881.db2.gz PLMOIIXXUWMJIT-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](CCC)CC1CCCCC1 ZINC000574696877 335040719 /nfs/dbraw/zinc/04/07/19/335040719.db2.gz BWPLBHHXYBVNIZ-HNNXBMFYSA-N 0 1 269.429 3.922 20 0 CHADMN COc1ccc(OC)c(CN2CCC=C(c3ccco3)C2)c1 ZINC000352571435 532959692 /nfs/dbraw/zinc/95/96/92/532959692.db2.gz UXHYQJQTURKLOX-UHFFFAOYSA-N 0 1 299.370 3.586 20 0 CHADMN CCn1cc([C@@H](C)NCc2ccc(Cl)c(C)c2)cn1 ZINC000186757158 262108896 /nfs/dbraw/zinc/10/88/96/262108896.db2.gz RYDFDPMXTIKDMH-GFCCVEGCSA-N 0 1 277.799 3.716 20 0 CHADMN CC1(C)CN(Cc2nc(C3CCCC3)no2)[C@@H]2CCC[C@H]21 ZINC000574825190 335051039 /nfs/dbraw/zinc/05/10/39/335051039.db2.gz BUJNPUGZSGNDCB-ZIAGYGMSSA-N 0 1 289.423 3.738 20 0 CHADMN COc1cnccc1[C@H](C)NCc1ccc2occc2c1 ZINC000352742619 533150004 /nfs/dbraw/zinc/15/00/04/533150004.db2.gz PDXUEYAKPKJNIG-LBPRGKRZSA-N 0 1 282.343 3.687 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H]1CCC(C)C ZINC000574883164 335055246 /nfs/dbraw/zinc/05/52/46/335055246.db2.gz BCHMDJFZRPWCDZ-AWEZNQCLSA-N 0 1 293.407 3.941 20 0 CHADMN CC(C)C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000574884424 335055297 /nfs/dbraw/zinc/05/52/97/335055297.db2.gz QVBPDTNSCVMUHZ-LBPRGKRZSA-N 0 1 295.810 3.906 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(F)c(F)c2)cc1F ZINC000035016844 260004239 /nfs/dbraw/zinc/00/42/39/260004239.db2.gz RWINUCQUGNHWRT-JTQLQIEISA-N 0 1 295.304 3.963 20 0 CHADMN CC[C@H]1C[N@H+](Cc2ncccc2[O-])CC[C@H]1c1ccccc1 ZINC000575026795 335056852 /nfs/dbraw/zinc/05/68/52/335056852.db2.gz AICVVDFPBWAWIH-DOTOQJQBSA-N 0 1 296.414 3.803 20 0 CHADMN CC[C@H]1C[N@@H+](Cc2ncccc2[O-])CC[C@H]1c1ccccc1 ZINC000575026795 335056853 /nfs/dbraw/zinc/05/68/53/335056853.db2.gz AICVVDFPBWAWIH-DOTOQJQBSA-N 0 1 296.414 3.803 20 0 CHADMN FCCN[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000390753675 262252426 /nfs/dbraw/zinc/25/24/26/262252426.db2.gz FOLAIQYQPTXWNM-GFCCVEGCSA-N 0 1 290.151 3.598 20 0 CHADMN COCc1ccccc1/C=C(\C)CN(C)Cc1cccnc1 ZINC000352831730 533254302 /nfs/dbraw/zinc/25/43/02/533254302.db2.gz MZGFRVJIPVIGOX-LFIBNONCSA-N 0 1 296.414 3.763 20 0 CHADMN C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCCC2(CC2)C1 ZINC000352265709 533333812 /nfs/dbraw/zinc/33/38/12/533333812.db2.gz KBWDLPGLKPWIRB-LBPRGKRZSA-N 0 1 292.810 3.543 20 0 CHADMN COc1ccc2cc(CNCc3ccc(F)cn3)ccc2c1 ZINC000344911732 533331052 /nfs/dbraw/zinc/33/10/52/533331052.db2.gz YOACSQPVZOZBSE-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1ccc2cc[nH]c2n1 ZINC000353624765 533417473 /nfs/dbraw/zinc/41/74/73/533417473.db2.gz DOVFLQUBVGXJRM-ZDUSSCGKSA-N 0 1 295.386 3.731 20 0 CHADMN C[C@@H](N[C@@H]1COC(C)(C)C1)c1nc(C(C)(C)C)cs1 ZINC000417919905 533527245 /nfs/dbraw/zinc/52/72/45/533527245.db2.gz YNQGYUWIMLKLHK-MNOVXSKESA-N 0 1 282.453 3.659 20 0 CHADMN CSC1(CN2CCc3c(F)cc(F)cc3[C@@H]2C)CC1 ZINC000347921559 533483470 /nfs/dbraw/zinc/48/34/70/533483470.db2.gz QRGUZDQKTSROIW-JTQLQIEISA-N 0 1 283.387 3.780 20 0 CHADMN C[C@@H](CCN1CCn2cccc2[C@@H]1C)OCc1ccccc1 ZINC000354884398 533589810 /nfs/dbraw/zinc/58/98/10/533589810.db2.gz SEAVYNJMWKSYEK-IRXDYDNUSA-N 0 1 298.430 3.860 20 0 CHADMN COc1ccc(CN2CCCC3(CC3)C2)cc1Cl ZINC000351914789 533555026 /nfs/dbraw/zinc/55/50/26/533555026.db2.gz DZPPKJLEHASZIQ-UHFFFAOYSA-N 0 1 265.784 3.725 20 0 CHADMN Cc1ccnc(NC[C@H](c2ccsc2)N(C)C)c1Cl ZINC000341739590 130013532 /nfs/dbraw/zinc/01/35/32/130013532.db2.gz ALWNBGIRFISOHG-GFCCVEGCSA-N 0 1 295.839 3.820 20 0 CHADMN CO[C@@H]1CCCN([C@H](C)c2ccccc2Br)C1 ZINC000341864885 130081322 /nfs/dbraw/zinc/08/13/22/130081322.db2.gz WTHUGZCXJMAWQE-VXGBXAGGSA-N 0 1 298.224 3.621 20 0 CHADMN C[C@@H]1COC[C@@H](c2ccccc2)N1CCCCCF ZINC000341914827 130126862 /nfs/dbraw/zinc/12/68/62/130126862.db2.gz ZRDZNXNZFXXRFP-ZBFHGGJFSA-N 0 1 265.372 3.588 20 0 CHADMN Cc1ccc(CN2CCC(CC(F)(F)F)CC2)nc1 ZINC000341993920 130185886 /nfs/dbraw/zinc/18/58/86/130185886.db2.gz QBUQMFNNMOXFEY-UHFFFAOYSA-N 0 1 272.314 3.554 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C[C@@H]3CC[C@H](C)C3)ccc12 ZINC000354998961 533672483 /nfs/dbraw/zinc/67/24/83/533672483.db2.gz ZCSGFTOAADPGAM-CMPLNLGQSA-N 0 1 271.364 3.636 20 0 CHADMN COc1cc(-c2nc3ccc(C)cc3[nH]2)cc(OC)c1OC ZINC000005818445 170143460 /nfs/dbraw/zinc/14/34/60/170143460.db2.gz YRQAJIDNKFIRPY-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN C[C@@H](NCc1ccccc1C(F)(F)F)c1ccccn1 ZINC000020123207 171004052 /nfs/dbraw/zinc/00/40/52/171004052.db2.gz IOJMZQSYLCCVSL-LLVKDONJSA-N 0 1 280.293 3.951 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccccc2C)c1OC ZINC000020126292 171010111 /nfs/dbraw/zinc/01/01/11/171010111.db2.gz GKQLWVZTETYWEQ-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN C[C@@H](NCc1ccc(Br)s1)c1cccnc1 ZINC000020127845 171013636 /nfs/dbraw/zinc/01/36/36/171013636.db2.gz ZEOJXRDUVHAPDZ-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cccnc2)cc1F ZINC000020127901 171013907 /nfs/dbraw/zinc/01/39/07/171013907.db2.gz JGGPDLZIADYOMV-NEPJUHHUSA-N 0 1 274.339 3.641 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(F)c(Cl)c2)cn1 ZINC000020186484 171049856 /nfs/dbraw/zinc/04/98/56/171049856.db2.gz URYNYJGXPKJXCU-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)N[C@H](C)c2ccc(C)o2)c1 ZINC000020187607 171052670 /nfs/dbraw/zinc/05/26/70/171052670.db2.gz UPPUVZPVFLRFHT-QWHCGFSZSA-N 0 1 286.375 3.958 20 0 CHADMN Cc1noc(C)c1CN[C@@H](C)c1ccc(Cl)cc1 ZINC000020253155 171106079 /nfs/dbraw/zinc/10/60/79/171106079.db2.gz IJWALJKHJMQTKI-VIFPVBQESA-N 0 1 264.756 3.796 20 0 CHADMN CC(C)OCCSc1nc2ccc(Cl)cc2[nH]1 ZINC000025603784 171462608 /nfs/dbraw/zinc/46/26/08/171462608.db2.gz LKVCINFVICURRB-UHFFFAOYSA-N 0 1 270.785 3.733 20 0 CHADMN CCOc1ccc(CNc2ccc3c[nH]nc3c2)cc1 ZINC000035040387 171945873 /nfs/dbraw/zinc/94/58/73/171945873.db2.gz RQPHLAGFDFDJSY-UHFFFAOYSA-N 0 1 267.332 3.574 20 0 CHADMN CCN(Cc1cccc(N)c1)Cc1ccccc1Cl ZINC000035364278 172153444 /nfs/dbraw/zinc/15/34/44/172153444.db2.gz ZLBRFXBHKYNDQO-UHFFFAOYSA-N 0 1 274.795 3.944 20 0 CHADMN C[C@@H](NCc1cc(F)ccc1F)c1ccc(F)cc1 ZINC000037233073 173052612 /nfs/dbraw/zinc/05/26/12/173052612.db2.gz BMYNOTKSRNZPJJ-SNVBAGLBSA-N 0 1 265.278 3.955 20 0 CHADMN Cc1csc(CN[C@@H](c2ccccc2)C(C)C)n1 ZINC000038091124 174104486 /nfs/dbraw/zinc/10/44/86/174104486.db2.gz XRRIAOAJUPAZRR-OAHLLOKOSA-N 0 1 260.406 3.938 20 0 CHADMN CN(Cc1ccccc1Br)CC(C)(C)C ZINC000045086675 175304418 /nfs/dbraw/zinc/30/44/18/175304418.db2.gz XRICARVRNOTFAP-UHFFFAOYSA-N 0 1 270.214 3.927 20 0 CHADMN Cc1ccc(-c2nc(CN(C)C(C)(C)C)co2)cc1 ZINC000072183608 176335168 /nfs/dbraw/zinc/33/51/68/176335168.db2.gz FOSQLIBFDRPLFF-UHFFFAOYSA-N 0 1 258.365 3.880 20 0 CHADMN COC(=O)c1occc1CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000078759238 177383533 /nfs/dbraw/zinc/38/35/33/177383533.db2.gz YGXBJFQDHHIHNI-CQSZACIVSA-N 0 1 293.407 3.714 20 0 CHADMN C[C@H]1OCC[C@@]1(C)NCc1csc(-c2cccs2)n1 ZINC000344368523 225045653 /nfs/dbraw/zinc/04/56/53/225045653.db2.gz AXYMJWLAFXIVHB-QMTHXVAHSA-N 0 1 294.445 3.529 20 0 CHADMN COCc1nc(CN[C@@H](C)CCC(C)(C)C)cs1 ZINC000344458498 225064364 /nfs/dbraw/zinc/06/43/64/225064364.db2.gz KBOCVZKIIXFRND-NSHDSACASA-N 0 1 270.442 3.594 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@@H](C)c3ccsc3)[nH]c2c1 ZINC000344475457 225070708 /nfs/dbraw/zinc/07/07/08/225070708.db2.gz BZOCPQDZLMMTHI-JTQLQIEISA-N 0 1 285.372 3.675 20 0 CHADMN COc1ccsc1CN[C@H]1CSc2ccccc21 ZINC000344442519 225075088 /nfs/dbraw/zinc/07/50/88/225075088.db2.gz ZQFHKOIYSJATKM-NSHDSACASA-N 0 1 277.414 3.693 20 0 CHADMN C[C@H](N)c1nc(Cc2cccc(Br)c2)cs1 ZINC000334603082 225080204 /nfs/dbraw/zinc/08/02/04/225080204.db2.gz OZIDOSTWOQYSBX-QMMMGPOBSA-N 0 1 297.221 3.516 20 0 CHADMN Cc1ccc2nc(NC(=O)c3coc4ccccc34)[nH]c2c1 ZINC000344514975 225090150 /nfs/dbraw/zinc/09/01/50/225090150.db2.gz GXLKPOPYHUDRDJ-UHFFFAOYSA-N 0 1 291.310 3.870 20 0 CHADMN Cc1ccc2nc(NC(=O)c3ccc4[nH]ccc4c3)[nH]c2c1 ZINC000344516883 225090387 /nfs/dbraw/zinc/09/03/87/225090387.db2.gz HQIWOFOUIHPXDO-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN C[S@@](=O)c1ccc(CN2CC(C)(C)CC(C)(C)C2)cc1 ZINC000344876680 225190753 /nfs/dbraw/zinc/19/07/53/225190753.db2.gz CYTXXGZITIDGRZ-HXUWFJFHSA-N 0 1 293.476 3.682 20 0 CHADMN Cn1nccc1[C@@H]1CCCC[N@H+]1CCCCC(F)(F)F ZINC000366885233 225236663 /nfs/dbraw/zinc/23/66/63/225236663.db2.gz PLMSCQYWIJYSLY-ZDUSSCGKSA-N 0 1 289.345 3.680 20 0 CHADMN Cn1nccc1[C@@H]1CCCCN1CCCCC(F)(F)F ZINC000366885233 225236668 /nfs/dbraw/zinc/23/66/68/225236668.db2.gz PLMSCQYWIJYSLY-ZDUSSCGKSA-N 0 1 289.345 3.680 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCOc3ccccc32)nc1C ZINC000334718484 225287794 /nfs/dbraw/zinc/28/77/94/225287794.db2.gz LYBBKGFTAHNQHX-QGZVFWFLSA-N 0 1 282.387 3.702 20 0 CHADMN c1ccc2ncc(CN3CCC[C@@H]3c3cccnc3)cc2c1 ZINC000346974070 226000723 /nfs/dbraw/zinc/00/07/23/226000723.db2.gz IZYUHIGCBCUXAA-LJQANCHMSA-N 0 1 289.382 3.967 20 0 CHADMN Cc1cccc(CN(Cc2cccs2)C2CC2)n1 ZINC000347383405 226141422 /nfs/dbraw/zinc/14/14/22/226141422.db2.gz KWWQQFZTSONTCW-UHFFFAOYSA-N 0 1 258.390 3.616 20 0 CHADMN C[C@H](c1c(F)cccc1F)N(C)CC[C@H]1CCCCO1 ZINC000347387144 226142522 /nfs/dbraw/zinc/14/25/22/226142522.db2.gz RHJCCTJNCYHGOI-CHWSQXEVSA-N 0 1 283.362 3.917 20 0 CHADMN C[C@@H]1c2cc(F)cc(F)c2CCN1CC[C@H]1CCCCO1 ZINC000347467404 226164179 /nfs/dbraw/zinc/16/41/79/226164179.db2.gz QXUDUNOTAJMCEI-TZMCWYRMSA-N 0 1 295.373 3.843 20 0 CHADMN CCc1oc2ccccc2c1CN1C[C@@H](C)O[C@H](C)C1 ZINC000347636346 226206971 /nfs/dbraw/zinc/20/69/71/226206971.db2.gz ZNCVPPONCSRKQX-CHWSQXEVSA-N 0 1 273.376 3.604 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2ccco2)c(C)c1OC ZINC000347590017 226210181 /nfs/dbraw/zinc/21/01/81/226210181.db2.gz AFCWBHSSDFDEIL-ZDUSSCGKSA-N 0 1 289.375 3.798 20 0 CHADMN Fc1cc(F)cc(CN2CCC[C@H](c3ccncc3)C2)c1 ZINC000347721912 226231824 /nfs/dbraw/zinc/23/18/24/226231824.db2.gz AEJCXVDANJNBDW-HNNXBMFYSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1nc(CCSc2nc3ccc(C)cc3[nH]2)cs1 ZINC000347852926 226379920 /nfs/dbraw/zinc/37/99/20/226379920.db2.gz DRIDPWZUARIYBS-UHFFFAOYSA-N 0 1 289.429 3.971 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC[C@@H](c3ccccc3)CC2)o1 ZINC000348001135 226395001 /nfs/dbraw/zinc/39/50/01/226395001.db2.gz WRIBKGYFZFCMAZ-GDBMZVCRSA-N 0 1 299.418 3.963 20 0 CHADMN Cc1cc(C(=O)CN2CCC[C@H]2c2ccc(C)cc2)c(C)[nH]1 ZINC000347998820 226395288 /nfs/dbraw/zinc/39/52/88/226395288.db2.gz NUPXYTYAVUGNDS-SFHVURJKSA-N 0 1 296.414 3.960 20 0 CHADMN CN(Cc1ncc(-c2cccs2)o1)C1CCCC1 ZINC000171758021 335077898 /nfs/dbraw/zinc/07/78/98/335077898.db2.gz YITRAQGWBKIGHQ-UHFFFAOYSA-N 0 1 262.378 3.778 20 0 CHADMN Cc1cc(C[N@@H+](C)CCc2ccccn2)cc2cccnc12 ZINC000350459423 227016187 /nfs/dbraw/zinc/01/61/87/227016187.db2.gz KMWORAPSBTTWRK-UHFFFAOYSA-N 0 1 291.398 3.613 20 0 CHADMN FC[C@@H]1CCCN1Cc1cccc(OC(F)(F)F)c1 ZINC000354523660 227020960 /nfs/dbraw/zinc/02/09/60/227020960.db2.gz YLRAMMKDDJOCAG-NSHDSACASA-N 0 1 277.261 3.519 20 0 CHADMN Cc1cc(C)c2c(c1)CN(Cc1cnccc1C)CC2 ZINC000354646543 227057127 /nfs/dbraw/zinc/05/71/27/227057127.db2.gz KIGMLHCXGQEGBR-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN Cc1ncsc1CN(C)CCSc1ccc(F)cc1 ZINC000171774052 335078964 /nfs/dbraw/zinc/07/89/64/335078964.db2.gz LACHWHKCLIZZEN-UHFFFAOYSA-N 0 1 296.436 3.815 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1ccc(F)c(Cl)c1 ZINC000352625799 227118945 /nfs/dbraw/zinc/11/89/45/227118945.db2.gz JNHFEXCWFSGRIW-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@@H](C)c3ccccc3)[nH]c2c1 ZINC000575203960 335080639 /nfs/dbraw/zinc/08/06/39/335080639.db2.gz NXCWZTZIDSPTOY-LBPRGKRZSA-N 0 1 279.343 3.614 20 0 CHADMN Cc1cccc([C@H](N[C@H]2COC(C)(C)C2)c2ccccn2)c1 ZINC000417967452 227255116 /nfs/dbraw/zinc/25/51/16/227255116.db2.gz OJNCRDMTVZPCBH-AEFFLSMTSA-N 0 1 296.414 3.637 20 0 CHADMN COCCCN(C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000352822952 227258966 /nfs/dbraw/zinc/25/89/66/227258966.db2.gz IXHZBSLQOBFATE-UHFFFAOYSA-N 0 1 295.732 3.827 20 0 CHADMN Cc1cn[nH]c1CNc1cccc(-c2csc(C)n2)c1 ZINC000352843676 227318425 /nfs/dbraw/zinc/31/84/25/227318425.db2.gz BQHUVPZBBFVSRE-UHFFFAOYSA-N 0 1 284.388 3.762 20 0 CHADMN Cc1cccc(CN(C)Cc2cc(Cl)cn2C)c1 ZINC000355021695 227320270 /nfs/dbraw/zinc/32/02/70/227320270.db2.gz KTHSHHHZZMMXRP-UHFFFAOYSA-N 0 1 262.784 3.619 20 0 CHADMN C[C@H]1CCC[C@@H](c2noc(-c3ccc4cncn4c3)n2)C1 ZINC000329596775 227630160 /nfs/dbraw/zinc/63/01/60/227630160.db2.gz PHIWXGAZLBMQQO-NWDGAFQWSA-N 0 1 282.347 3.678 20 0 CHADMN Cc1cc(N(C)CCOCC2CC2)c2cc(F)ccc2n1 ZINC000301677298 227638437 /nfs/dbraw/zinc/63/84/37/227638437.db2.gz QKWRCCDNEHGAMB-UHFFFAOYSA-N 0 1 288.366 3.545 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@@](C)(c3ccccc3)C2)s1 ZINC000335913040 227971912 /nfs/dbraw/zinc/97/19/12/227971912.db2.gz CWEWFTNDHGFZMY-MLGOLLRUSA-N 0 1 287.432 3.571 20 0 CHADMN C[C@H]1CCCCCN1Cc1nccn1Cc1ccccc1 ZINC000353512250 228112376 /nfs/dbraw/zinc/11/23/76/228112376.db2.gz UCVQLKDJDPJKOP-INIZCTEOSA-N 0 1 283.419 3.696 20 0 CHADMN Cc1cc(-c2nc(C3(N)CCCCC3)no2)cc(C)c1F ZINC000331648230 228116780 /nfs/dbraw/zinc/11/67/80/228116780.db2.gz KSFHGTBENBAHTQ-UHFFFAOYSA-N 0 1 289.354 3.611 20 0 CHADMN CCn1cc([C@H](C)N[C@H]2CCc3sc(Cl)cc32)cn1 ZINC000353570781 228123315 /nfs/dbraw/zinc/12/33/15/228123315.db2.gz GAGMCQXRMUTKNT-CABZTGNLSA-N 0 1 295.839 3.956 20 0 CHADMN Cc1n[nH]cc1CN[C@H](C)c1cc2ccc(C)cc2o1 ZINC000353593802 228127880 /nfs/dbraw/zinc/12/78/80/228127880.db2.gz DYYXMOZUUSVLDV-GFCCVEGCSA-N 0 1 269.348 3.624 20 0 CHADMN c1ccc2[nH]c(CN3CCC4(C3)CCCCC4)nc2c1 ZINC000353645457 228137768 /nfs/dbraw/zinc/13/77/68/228137768.db2.gz GWPDOVGLVRDTCB-UHFFFAOYSA-N 0 1 269.392 3.719 20 0 CHADMN Cc1cc(CN(C)Cc2cccc(C)n2)c(C)s1 ZINC000353746872 228149964 /nfs/dbraw/zinc/14/99/64/228149964.db2.gz KZESVHPNWBFBBJ-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN NC(=O)C[C@@H]1CCCCN1Cc1nc2ccccc2s1 ZINC000332271020 228153596 /nfs/dbraw/zinc/15/35/96/228153596.db2.gz WVNUCHKBZQWUSH-NSHDSACASA-N 0 1 289.404 3.576 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](c2nccn2C)C2CC2)cc1 ZINC000353867866 228160785 /nfs/dbraw/zinc/16/07/85/228160785.db2.gz OOKULWVXGIXGNK-BBRMVZONSA-N 0 1 269.392 3.530 20 0 CHADMN CCOc1ccc([C@H](C)N[C@@H](c2nccn2C)C2CC2)cc1 ZINC000353882168 228162416 /nfs/dbraw/zinc/16/24/16/228162416.db2.gz QLUWDMKIFMTTHX-SUMWQHHRSA-N 0 1 299.418 3.621 20 0 CHADMN C[C@@H](C(=O)Nc1cc(Cl)c(O)cc1F)c1cccs1 ZINC000335957217 228169600 /nfs/dbraw/zinc/16/96/00/228169600.db2.gz GVLJXFVDHWZLCZ-SSDOTTSWSA-N 0 1 299.754 3.988 20 0 CHADMN Cc1ncccc1CN[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000336213100 228214973 /nfs/dbraw/zinc/21/49/73/228214973.db2.gz BBGXJCSCMYKYGV-QGZVFWFLSA-N 0 1 288.341 3.835 20 0 CHADMN C[C@H]1CCCC[C@H]1c1noc(-c2cc3cccnc3[nH]2)n1 ZINC000333841807 228216357 /nfs/dbraw/zinc/21/63/57/228216357.db2.gz LIOHZGNNAHJLQU-CMPLNLGQSA-N 0 1 282.347 3.907 20 0 CHADMN Cc1ncccc1CN1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000336228128 228218176 /nfs/dbraw/zinc/21/81/76/228218176.db2.gz QBOQMFYUVRUFTH-GWCFXTLKSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1ncccc1CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000179802720 260073482 /nfs/dbraw/zinc/07/34/82/260073482.db2.gz TYEJSFFRVGEPPU-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1nccn1CC(C)C)[C@@H](C)C2 ZINC000180628700 260107772 /nfs/dbraw/zinc/10/77/72/260107772.db2.gz QAHORBNTLAVKBG-KXBFYZLASA-N 0 1 297.446 3.871 20 0 CHADMN CCc1ccc(C2=CCN(Cc3cncs3)CC2)cc1 ZINC000180784725 260111381 /nfs/dbraw/zinc/11/13/81/260111381.db2.gz IJLJZSYUOOXQKS-UHFFFAOYSA-N 0 1 284.428 3.995 20 0 CHADMN COCc1ccccc1CN[C@@H](C)c1cc(C)oc1C ZINC000037762769 260116912 /nfs/dbraw/zinc/11/69/12/260116912.db2.gz XCCMNCBZYGNFGU-ZDUSSCGKSA-N 0 1 273.376 3.894 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CC1CCCCCC1 ZINC000089575353 260188396 /nfs/dbraw/zinc/18/83/96/260188396.db2.gz CGPDWVWURROQCC-HNNXBMFYSA-N 0 1 267.413 3.676 20 0 CHADMN C[C@H]1C[C@H](NCc2cc3c(s2)CCCC3)c2nccn21 ZINC000517510019 260190260 /nfs/dbraw/zinc/19/02/60/260190260.db2.gz XGZOLWGRYKJLPQ-FZMZJTMJSA-N 0 1 287.432 3.619 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000086809419 260210298 /nfs/dbraw/zinc/21/02/98/260210298.db2.gz NUZRTPKNYNONAM-NSHDSACASA-N 0 1 299.773 3.556 20 0 CHADMN C[N@@H+](CCCC(=O)[O-])C1c2ccccc2-c2ccccc21 ZINC000086802432 260210303 /nfs/dbraw/zinc/21/03/03/260210303.db2.gz RSQYSDLLVMRTFQ-UHFFFAOYSA-N 0 1 281.355 3.553 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1cccc(Cl)c1 ZINC000087406901 260214054 /nfs/dbraw/zinc/21/40/54/260214054.db2.gz ORFQPXFFJRYXCL-QWRGUYRKSA-N 0 1 277.799 3.794 20 0 CHADMN COC[C@H](N[C@@H](C)c1cccc(F)c1)c1ccccc1 ZINC000089668858 260237620 /nfs/dbraw/zinc/23/76/20/260237620.db2.gz ZGUFEWMDCLRJER-GUYCJALGSA-N 0 1 273.351 3.864 20 0 CHADMN CC1(C)COC[C@H]1NCc1c(Cl)oc2ccccc21 ZINC000313028008 260237754 /nfs/dbraw/zinc/23/77/54/260237754.db2.gz VBTMQVPQJJASLF-CYBMUJFWSA-N 0 1 279.767 3.601 20 0 CHADMN COC[C@H](N[C@H](C)c1ccc(OC)cc1)c1ccccc1 ZINC000089668801 260237853 /nfs/dbraw/zinc/23/78/53/260237853.db2.gz GHPMALAPZPOJQH-KDOFPFPSSA-N 0 1 285.387 3.734 20 0 CHADMN Cc1cc([C@@H](C)NCc2cncn2C(C)C)c(C)s1 ZINC000090208315 260239410 /nfs/dbraw/zinc/23/94/10/260239410.db2.gz JLPLAERSGFQTRI-GFCCVEGCSA-N 0 1 277.437 3.993 20 0 CHADMN COC[C@H](N[C@@H](C)c1c(F)cccc1Cl)C(C)C ZINC000394070497 260245583 /nfs/dbraw/zinc/24/55/83/260245583.db2.gz RFOUGYHCBGHJAN-GWCFXTLKSA-N 0 1 273.779 3.801 20 0 CHADMN CCC(CC)(CNCc1csc(C(C)(C)C)n1)OC ZINC000311495671 260252061 /nfs/dbraw/zinc/25/20/61/260252061.db2.gz VRFWQLNCEGUDTG-UHFFFAOYSA-N 0 1 284.469 3.735 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@H](C)c1ccccn1)CCC2 ZINC000092383395 260269091 /nfs/dbraw/zinc/26/90/91/260269091.db2.gz ZRPHIDHDMRDVBY-ACJLOTCBSA-N 0 1 282.387 3.818 20 0 CHADMN COCCCCN(C)Cc1ncc(-c2ccccc2C)o1 ZINC000516917223 260276538 /nfs/dbraw/zinc/27/65/38/260276538.db2.gz PZLWXHMKBGIXEV-UHFFFAOYSA-N 0 1 288.391 3.508 20 0 CHADMN Cc1cnc(CN2CCC[C@H]2c2cccc(C)c2C)o1 ZINC000075766967 260291824 /nfs/dbraw/zinc/29/18/24/260291824.db2.gz WTEKFAQTIBGWFF-INIZCTEOSA-N 0 1 270.376 3.937 20 0 CHADMN Cc1ncncc1[C@H](C)NCc1ccc(C2CCC2)cc1 ZINC000517962633 260327324 /nfs/dbraw/zinc/32/73/24/260327324.db2.gz YVYROFAFCZRGNK-ZDUSSCGKSA-N 0 1 281.403 3.903 20 0 CHADMN CCCCCN[C@@H](C)c1ncc(Br)s1 ZINC000126381078 260350173 /nfs/dbraw/zinc/35/01/73/260350173.db2.gz WYVJLPKTABZJJX-QMMMGPOBSA-N 0 1 277.231 3.746 20 0 CHADMN CCOc1cccc([C@@H](C)[NH2+]Cc2ccc3nc[nH]c3c2)c1 ZINC000518280394 260368141 /nfs/dbraw/zinc/36/81/41/260368141.db2.gz JZOOPSFQXFWVEG-CYBMUJFWSA-N 0 1 295.386 3.812 20 0 CHADMN Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CCCCC(=O)[O-] ZINC000518385977 260394161 /nfs/dbraw/zinc/39/41/61/260394161.db2.gz ANVIXHFUTPMIOK-LBPRGKRZSA-N 0 1 298.452 3.823 20 0 CHADMN C[C@H](N[C@H]1CCCc2cc(F)ccc21)c1ccccn1 ZINC000090964190 260469719 /nfs/dbraw/zinc/46/97/19/260469719.db2.gz HEDULYPHJBXANO-SJCJKPOMSA-N 0 1 270.351 3.949 20 0 CHADMN Cc1cccnc1CN(Cc1cccc(F)c1)C1CC1 ZINC000093159520 260511301 /nfs/dbraw/zinc/51/13/01/260511301.db2.gz OUZYIPRLAPYCMU-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN CC1(C)CCC[C@H]1[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000427669414 260804327 /nfs/dbraw/zinc/80/43/27/260804327.db2.gz ZAORCNUKCFJBOS-OAHLLOKOSA-N 0 1 275.392 3.542 20 0 CHADMN C[C@H](NCc1ccnn1C)c1cc(Cl)cc(Cl)c1 ZINC000152210017 261061661 /nfs/dbraw/zinc/06/16/61/261061661.db2.gz CWDQLNGBOIIGOF-VIFPVBQESA-N 0 1 284.190 3.578 20 0 CHADMN CCc1nc2c(s1)[C@H](N[C@@H](C)c1ccccn1)CCC2 ZINC000152370176 261063599 /nfs/dbraw/zinc/06/35/99/261063599.db2.gz YVTBBVACBJDJAK-WCQYABFASA-N 0 1 287.432 3.829 20 0 CHADMN CC[C@H](COC)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000152967152 261072263 /nfs/dbraw/zinc/07/22/63/261072263.db2.gz YEVUSTZHWBZLDR-GXTWGEPZSA-N 0 1 290.432 3.886 20 0 CHADMN C[C@H](N[C@H]1CCCOC1)c1nc(-c2ccccc2)cs1 ZINC000153473112 261078939 /nfs/dbraw/zinc/07/89/39/261078939.db2.gz HVSJEPXDTRSJPL-JSGCOSHPSA-N 0 1 288.416 3.640 20 0 CHADMN COc1ccc(CN2CCC[C@@H]2c2ccsc2)cc1O ZINC000153542949 261079680 /nfs/dbraw/zinc/07/96/80/261079680.db2.gz LXQZJAOLPYFCCW-CQSZACIVSA-N 0 1 289.400 3.799 20 0 CHADMN Cc1cccc(CN(Cc2ccccn2)C[C@H]2CCCO2)c1 ZINC000153607160 261080909 /nfs/dbraw/zinc/08/09/09/261080909.db2.gz DEHWBORZVBKLGI-LJQANCHMSA-N 0 1 296.414 3.571 20 0 CHADMN Cc1noc(C)c1CN[C@@H](C)c1cccc(C)c1C ZINC000153918623 261084882 /nfs/dbraw/zinc/08/48/82/261084882.db2.gz JNGMVVYRLVBAQW-LBPRGKRZSA-N 0 1 258.365 3.759 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cccnc2Cl)cc1 ZINC000154524965 261092903 /nfs/dbraw/zinc/09/29/03/261092903.db2.gz VRPWHVSBSIVNBO-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN C/C=C(/C)C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000155783487 261107441 /nfs/dbraw/zinc/10/74/41/261107441.db2.gz QZCIPYQKPYMJIL-YLIUPVCFSA-N 0 1 297.402 3.544 20 0 CHADMN CN(Cc1ncc(C(C)(C)C)s1)CC(C)(C)C ZINC000448343027 261121569 /nfs/dbraw/zinc/12/15/69/261121569.db2.gz IOUNPJGWPIAMDD-UHFFFAOYSA-N 0 1 254.443 3.919 20 0 CHADMN Cc1ccc2cc(CN3CCO[C@H](C(C)(C)C)C3)ccc2n1 ZINC000448353423 261124075 /nfs/dbraw/zinc/12/40/75/261124075.db2.gz GZTIZZYJQRGRCE-SFHVURJKSA-N 0 1 298.430 3.790 20 0 CHADMN COC[C@H](N[C@H]1CCCc2ccccc21)c1ccc(C)o1 ZINC000156494679 261124442 /nfs/dbraw/zinc/12/44/42/261124442.db2.gz CQJZWXVIPCDKTO-IRXDYDNUSA-N 0 1 285.387 3.943 20 0 CHADMN Cc1nc([C@H](C)NCC(C)(C)Oc2ccccc2)cs1 ZINC000361001389 261145680 /nfs/dbraw/zinc/14/56/80/261145680.db2.gz FMBBXVAZJSDDFZ-LBPRGKRZSA-N 0 1 290.432 3.960 20 0 CHADMN COCc1ccc(CN(C)[C@H](C)c2cccs2)o1 ZINC000157799989 261152177 /nfs/dbraw/zinc/15/21/77/261152177.db2.gz RJCNDSMZGGUESD-LLVKDONJSA-N 0 1 265.378 3.681 20 0 CHADMN C[C@@H](N[C@H]1CCCc2sccc21)c1cncs1 ZINC000158302187 261163047 /nfs/dbraw/zinc/16/30/47/261163047.db2.gz BSXDRUJMCAKJBW-KOLCDFICSA-N 0 1 264.419 3.933 20 0 CHADMN Fc1ccc2c(c1)CN(CCCCC(F)(F)F)CC2 ZINC000158453172 261165055 /nfs/dbraw/zinc/16/50/55/261165055.db2.gz UKGLYHRZRSDNDZ-UHFFFAOYSA-N 0 1 275.289 3.916 20 0 CHADMN CO[C@H](C)[C@H](C)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000361214915 261176640 /nfs/dbraw/zinc/17/66/40/261176640.db2.gz HGEILAKYEMCTMX-GARJFASQSA-N 0 1 270.442 3.515 20 0 CHADMN CSc1cc(C)ccc1CN[C@@H](C)c1ccccn1 ZINC000159359299 261184558 /nfs/dbraw/zinc/18/45/58/261184558.db2.gz ONDMMFUOKPFYLA-ZDUSSCGKSA-N 0 1 272.417 3.963 20 0 CHADMN CC(C)c1cnc(NC(=O)c2ccc(O)c(Cl)c2)s1 ZINC000174392380 261185499 /nfs/dbraw/zinc/18/54/99/261185499.db2.gz FNPXTJGBMWJIFC-UHFFFAOYSA-N 0 1 296.779 3.878 20 0 CHADMN CCN(Cc1csc([C@H](C)OC)n1)[C@@H](C)C(C)C ZINC000175133401 261209744 /nfs/dbraw/zinc/20/97/44/261209744.db2.gz KYJSIXUWGKKDOC-RYUDHWBXSA-N 0 1 270.442 3.717 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2ccn(-c3ccccc3)n2)C1 ZINC000464782551 261229938 /nfs/dbraw/zinc/22/99/38/261229938.db2.gz XWGNHADUBHWXAR-SFHVURJKSA-N 0 1 283.419 3.884 20 0 CHADMN Cc1nnc([C@H](C)N[C@@H]2CCC[C@H]2CCC(C)C)o1 ZINC000249032389 261236873 /nfs/dbraw/zinc/23/68/73/261236873.db2.gz LUGJMJMJSNCNLA-FPMFFAJLSA-N 0 1 265.401 3.634 20 0 CHADMN CCC1(CNC(=O)CCc2nc3cccc(C)c3[nH]2)CCC1 ZINC000175848216 261249169 /nfs/dbraw/zinc/24/91/69/261249169.db2.gz UOFQTCOQLBYNQM-UHFFFAOYSA-N 0 1 299.418 3.500 20 0 CHADMN CCCOc1ccc(CN[C@H](C)c2cnc(C)nc2C)cc1 ZINC000161672483 261256135 /nfs/dbraw/zinc/25/61/35/261256135.db2.gz XPSPASRVOZFZHZ-CYBMUJFWSA-N 0 1 299.418 3.733 20 0 CHADMN CCCOc1ccc(CN[C@H](C)c2cncc(F)c2)cc1 ZINC000161682763 261256563 /nfs/dbraw/zinc/25/65/63/261256563.db2.gz RZXYLXPDJBPQHR-CYBMUJFWSA-N 0 1 288.366 3.860 20 0 CHADMN c1csc(CSc2n[nH]c(CCC3CCCC3)n2)n1 ZINC000162798692 261294966 /nfs/dbraw/zinc/29/49/66/261294966.db2.gz QLDRTGYPBUKKJS-UHFFFAOYSA-N 0 1 294.449 3.676 20 0 CHADMN c1csc(CSc2nc(CCC3CCCC3)n[nH]2)n1 ZINC000162798692 261294968 /nfs/dbraw/zinc/29/49/68/261294968.db2.gz QLDRTGYPBUKKJS-UHFFFAOYSA-N 0 1 294.449 3.676 20 0 CHADMN CCc1noc(C)c1CN1CCC[C@H]1c1ccsc1 ZINC000162851466 261296343 /nfs/dbraw/zinc/29/63/43/261296343.db2.gz RJLUCMGLLXGZIB-HNNXBMFYSA-N 0 1 276.405 3.944 20 0 CHADMN Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[C@H](C)C2)c(C)c1 ZINC000007384290 261297444 /nfs/dbraw/zinc/29/74/44/261297444.db2.gz IMFKCBGOTRLZLO-LRDDRELGSA-N 0 1 288.435 3.671 20 0 CHADMN CC[C@@H](C)N(C)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000104686355 261297692 /nfs/dbraw/zinc/29/76/92/261297692.db2.gz VHOHRYRKYADNPU-GFCCVEGCSA-N 0 1 274.364 3.581 20 0 CHADMN CSC[C@@H]1CCCN1Cc1ccsc1Cl ZINC000361565658 261339971 /nfs/dbraw/zinc/33/99/71/261339971.db2.gz NPKKCONGNJCKKN-JTQLQIEISA-N 0 1 261.843 3.729 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CCN1CC(=O)Nc1ccccc1 ZINC000177544356 261359997 /nfs/dbraw/zinc/35/99/97/261359997.db2.gz AYWSLOIXYPSPDN-YJBOKZPZSA-N 0 1 294.398 3.503 20 0 CHADMN CCCN(Cc1nc(C)c(C)s1)C[C@H]1CCCCO1 ZINC000177739596 261367822 /nfs/dbraw/zinc/36/78/22/261367822.db2.gz WFMQQYIBFPEGRR-CQSZACIVSA-N 0 1 282.453 3.541 20 0 CHADMN COC(=O)c1ccc([C@H](C)N(C)Cc2cccc(C)c2)o1 ZINC000107848744 261380066 /nfs/dbraw/zinc/38/00/66/261380066.db2.gz CYTLSTYFTPNNRS-ZDUSSCGKSA-N 0 1 287.359 3.568 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(C)c(C)n2)cc1 ZINC000314185389 261588380 /nfs/dbraw/zinc/58/83/80/261588380.db2.gz LQSHROVAWSTLSC-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CC(C)c1nccc(Sc2nc(-c3ccccc3)n[nH]2)n1 ZINC000106463834 261844512 /nfs/dbraw/zinc/84/45/12/261844512.db2.gz FRFATKNSCDVXTD-UHFFFAOYSA-N 0 1 297.387 3.536 20 0 CHADMN Cc1nc2c(s1)[C@@H](NCc1ccc(Cl)cn1)CCC2 ZINC000182113339 261924411 /nfs/dbraw/zinc/92/44/11/261924411.db2.gz SEOMWVYNLCLGGC-LBPRGKRZSA-N 0 1 293.823 3.667 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccc(F)c(F)c1)c1nccs1 ZINC000183966458 262002715 /nfs/dbraw/zinc/00/27/15/262002715.db2.gz NRLBBABUIXFSDM-SNVBAGLBSA-N 0 1 282.359 3.657 20 0 CHADMN COCc1cc(CN[C@@H](C)c2cncc(C)c2)ccc1F ZINC000184362207 262018531 /nfs/dbraw/zinc/01/85/31/262018531.db2.gz FOWKJNDPONFEQY-ZDUSSCGKSA-N 0 1 288.366 3.526 20 0 CHADMN CC/C=C/CCN(CC)CC(=O)Nc1c(F)cccc1F ZINC000184418579 262020218 /nfs/dbraw/zinc/02/02/18/262020218.db2.gz JEBGEEWCGRJPOO-AATRIKPKSA-N 0 1 296.361 3.582 20 0 CHADMN CCC[C@H](NCc1cccc(NC(C)=O)c1)c1cccnc1 ZINC000185020717 262038348 /nfs/dbraw/zinc/03/83/48/262038348.db2.gz HKAHNEYJRUYQJF-SFHVURJKSA-N 0 1 297.402 3.671 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3C[C@H]3C(C)C)c2C)o1 ZINC000185797122 262071699 /nfs/dbraw/zinc/07/16/99/262071699.db2.gz OLMWTEFQHIKXFW-NWDGAFQWSA-N 0 1 287.363 3.517 20 0 CHADMN CCc1nnc(SC[C@H]2CCCc3ccccc32)[nH]1 ZINC000108953964 262074875 /nfs/dbraw/zinc/07/48/75/262074875.db2.gz GJDJPWUNNBIRPN-GFCCVEGCSA-N 0 1 273.405 3.579 20 0 CHADMN CCc1n[nH]c(SC[C@H]2CCCc3ccccc32)n1 ZINC000108953964 262074876 /nfs/dbraw/zinc/07/48/76/262074876.db2.gz GJDJPWUNNBIRPN-GFCCVEGCSA-N 0 1 273.405 3.579 20 0 CHADMN CCC[C@@H](NCc1ccc(Cl)cn1)c1cccnc1 ZINC000186229786 262085396 /nfs/dbraw/zinc/08/53/96/262085396.db2.gz BCMNONMNUPFFNK-OAHLLOKOSA-N 0 1 275.783 3.761 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](CCO)c2ccco2)cc1 ZINC000186532057 262097135 /nfs/dbraw/zinc/09/71/35/262097135.db2.gz CEFDWRUSMXTITK-XJKSGUPXSA-N 0 1 273.376 3.616 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H](CCO)c2ccco2)cc1 ZINC000186532039 262097356 /nfs/dbraw/zinc/09/73/56/262097356.db2.gz CEFDWRUSMXTITK-CZUORRHYSA-N 0 1 273.376 3.616 20 0 CHADMN Fc1cc(Cl)ccc1CNCCOCc1ccccc1 ZINC000390066872 262101388 /nfs/dbraw/zinc/10/13/88/262101388.db2.gz CAPLMDBCCZBKIA-UHFFFAOYSA-N 0 1 293.769 3.786 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)N1CCC(C)(CO)CC1 ZINC000186903025 262115967 /nfs/dbraw/zinc/11/59/67/262115967.db2.gz VGPIJDHLLIECPS-NSHDSACASA-N 0 1 285.790 3.635 20 0 CHADMN C[C@@H]1CCC[C@@H](C(=O)Nc2cccc(Cl)c2O)C1 ZINC000525755937 262134415 /nfs/dbraw/zinc/13/44/15/262134415.db2.gz CAAOAKBKMQVCGT-NXEZZACHSA-N 0 1 267.756 3.810 20 0 CHADMN Cc1nccc(NCCOCCC(C)C)c1Cl ZINC000310377240 262151122 /nfs/dbraw/zinc/15/11/22/262151122.db2.gz INMJUQVPMWEPJD-UHFFFAOYSA-N 0 1 256.777 3.518 20 0 CHADMN CCC(CC)(CNc1ccnc(C)c1Cl)OC ZINC000310387908 262151680 /nfs/dbraw/zinc/15/16/80/262151680.db2.gz KLQPIUPXBIFDMT-UHFFFAOYSA-N 0 1 256.777 3.661 20 0 CHADMN CC[C@@H](N[C@H](CCO)c1ccco1)c1cccc(F)c1 ZINC000188479247 262157203 /nfs/dbraw/zinc/15/72/03/262157203.db2.gz GAVLJRWYNMIDGP-HUUCEWRRSA-N 0 1 277.339 3.583 20 0 CHADMN CCC(C)(C)NC(=O)C[N@@H+](C)[C@H](c1ccccc1)C(C)C ZINC000497424348 262159202 /nfs/dbraw/zinc/15/92/02/262159202.db2.gz BXNULJMVDZKZLE-KRWDZBQOSA-N 0 1 290.451 3.620 20 0 CHADMN Cc1nccc(NCC2(O)CCCCCC2)c1Cl ZINC000310957965 262185029 /nfs/dbraw/zinc/18/50/29/262185029.db2.gz APLIHHSSQLSIAU-UHFFFAOYSA-N 0 1 268.788 3.541 20 0 CHADMN CC[C@@H]1C[C@]1(NCc1cccnc1OC)c1cccc(C)c1 ZINC000502590906 262222248 /nfs/dbraw/zinc/22/22/48/262222248.db2.gz IMUJCXYMPLHNLP-VQIMIIECSA-N 0 1 296.414 3.814 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)N[C@H]2CCCc3occc32)c1 ZINC000120782778 262229697 /nfs/dbraw/zinc/22/96/97/262229697.db2.gz PHUBJANBPYINRO-PXAZEXFGSA-N 0 1 298.386 3.966 20 0 CHADMN C[C@H](NCc1cc(O)cc(F)c1)c1ccc(F)c(F)c1 ZINC000184136430 262270824 /nfs/dbraw/zinc/27/08/24/262270824.db2.gz KPFYCCPVWALMGM-VIFPVBQESA-N 0 1 281.277 3.660 20 0 CHADMN CC1(C)CCCCN(Cc2cc(-c3ccco3)on2)C1 ZINC000446068188 262271140 /nfs/dbraw/zinc/27/11/40/262271140.db2.gz FEEMGUFJOQCYQB-UHFFFAOYSA-N 0 1 274.364 3.947 20 0 CHADMN Cc1csc(CN2CCC(C)(C(C)C)CC2)n1 ZINC000186203712 262312393 /nfs/dbraw/zinc/31/23/93/262312393.db2.gz JRJXTLMRZQQEMT-UHFFFAOYSA-N 0 1 252.427 3.710 20 0 CHADMN Cc1ncsc1CNCc1c(C)oc2ccccc21 ZINC000121283722 262336581 /nfs/dbraw/zinc/33/65/81/262336581.db2.gz MLXHXSSOGSBPLL-UHFFFAOYSA-N 0 1 272.373 3.796 20 0 CHADMN CC(C)(C)c1nc(CNC[C@@H]2CCCC2(F)F)cs1 ZINC000390852492 262353143 /nfs/dbraw/zinc/35/31/43/262353143.db2.gz IMFMIJFOQCYSOU-JTQLQIEISA-N 0 1 288.407 3.966 20 0 CHADMN C[C@@H](c1ccncc1)N(C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488587247 262378858 /nfs/dbraw/zinc/37/88/58/262378858.db2.gz YKMFKKLJQQTKQT-LBPRGKRZSA-N 0 1 283.350 3.895 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H]1CCCc2ccccc21 ZINC000187100557 262379625 /nfs/dbraw/zinc/37/96/25/262379625.db2.gz KXAQLDVQNZDHLR-CXAGYDPISA-N 0 1 282.387 3.818 20 0 CHADMN Cc1nc([C@@H](C)N(C)Cc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000411154571 262681500 /nfs/dbraw/zinc/68/15/00/262681500.db2.gz LEUFCJRYCBJYHO-MRVPVSSYSA-N 0 1 299.205 3.613 20 0 CHADMN CCc1ccc(CN[C@H](c2ccc(OC)cc2)C2CC2)nc1 ZINC000411491068 262695882 /nfs/dbraw/zinc/69/58/82/262695882.db2.gz PMADBVUNZQUNQA-IBGZPJMESA-N 0 1 296.414 3.894 20 0 CHADMN CC(C)CCCCC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000412192740 262724036 /nfs/dbraw/zinc/72/40/36/262724036.db2.gz MOIOVYKXYXCQRG-UHFFFAOYSA-N 0 1 277.290 3.583 20 0 CHADMN CCC[C@@H](NCc1ccc(C)c(C)n1)c1cccnc1 ZINC000414163181 262819411 /nfs/dbraw/zinc/81/94/11/262819411.db2.gz IJGBWABQHDMMSK-QGZVFWFLSA-N 0 1 269.392 3.724 20 0 CHADMN Cc1cncc([C@@H](C)NCc2ccccc2OC(F)F)c1 ZINC000184264815 262931663 /nfs/dbraw/zinc/93/16/63/262931663.db2.gz OIUHFODZKVDKJM-GFCCVEGCSA-N 0 1 292.329 3.842 20 0 CHADMN COCC[C@@H](N[C@@H](C)c1sc(C)nc1C)c1ccco1 ZINC000272553885 263006437 /nfs/dbraw/zinc/00/64/37/263006437.db2.gz MORLNKBYDQCDGF-WCQYABFASA-N 0 1 294.420 3.781 20 0 CHADMN CC(C)C[C@H](N)c1noc(/C=C\c2ccc3[nH]ccc3c2)n1 ZINC000414613209 263009467 /nfs/dbraw/zinc/00/94/67/263009467.db2.gz FTDQAABRJYGCJX-SDQPKGBYSA-N 0 1 296.374 3.767 20 0 CHADMN CSc1cccc(-c2nc([C@H](N)CC(C)C)no2)c1 ZINC000414613056 263009504 /nfs/dbraw/zinc/00/95/04/263009504.db2.gz DNAXZVALEVHDOU-GFCCVEGCSA-N 0 1 277.393 3.504 20 0 CHADMN Cc1ccccc1C1(c2nc([C@@H](N)CC(C)C)no2)CCC1 ZINC000414616893 263010581 /nfs/dbraw/zinc/01/05/81/263010581.db2.gz KULQNISYXUWOHJ-HNNXBMFYSA-N 0 1 299.418 3.894 20 0 CHADMN CC(C)C[C@@H](N)c1noc(/C=C\c2ccc(F)c(F)c2)n1 ZINC000414615923 263011036 /nfs/dbraw/zinc/01/10/36/263011036.db2.gz JHOPGSUCRHVLJZ-RYWCDNDXSA-N 0 1 293.317 3.564 20 0 CHADMN CCc1nnc(CN[C@H](C)C(C)(C)c2ccccc2)s1 ZINC000273095336 263012464 /nfs/dbraw/zinc/01/24/64/263012464.db2.gz DEXOTLFPIIGVEE-GFCCVEGCSA-N 0 1 289.448 3.556 20 0 CHADMN Cc1ccc2cc(-c3nc([C@@H](N)CC(C)C)no3)[nH]c2c1 ZINC000414619422 263013061 /nfs/dbraw/zinc/01/30/61/263013061.db2.gz OBXQCKCMNDQSLQ-LBPRGKRZSA-N 0 1 284.363 3.572 20 0 CHADMN Cc1ccc(-c2nc(C3(N)CCC3)no2)c(Cl)c1Cl ZINC000414621684 263014039 /nfs/dbraw/zinc/01/40/39/263014039.db2.gz AZIBFXVPYOIJJJ-UHFFFAOYSA-N 0 1 298.173 3.690 20 0 CHADMN Cc1ccccc1C1(c2nc(C3(N)CCC3)no2)CCCC1 ZINC000414623349 263014472 /nfs/dbraw/zinc/01/44/72/263014472.db2.gz DLUKJBZRVDMPSJ-UHFFFAOYSA-N 0 1 297.402 3.576 20 0 CHADMN C[C@H]1C[C@@H](c2nc(C3(N)CCCC3)no2)CC(C)(C)C1 ZINC000414624813 263014905 /nfs/dbraw/zinc/01/49/05/263014905.db2.gz HGNURIFYADHXEG-NWDGAFQWSA-N 0 1 277.412 3.727 20 0 CHADMN CC(C)C[C@H](N)c1noc(CC[C@H](C)c2ccccc2)n1 ZINC000414624945 263015149 /nfs/dbraw/zinc/01/51/49/263015149.db2.gz WKHHRPMTMKADMW-ZFWWWQNUSA-N 0 1 287.407 3.852 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C/C=C\c2ccccc2F)n1 ZINC000414626497 263016448 /nfs/dbraw/zinc/01/64/48/263016448.db2.gz YCIOFGQEGCJKEA-BRLPQQTGSA-N 0 1 289.354 3.511 20 0 CHADMN C[C@H]1CC[C@@](C)(c2nc(C3(N)CCCC3)no2)C1(C)C ZINC000414629562 263016664 /nfs/dbraw/zinc/01/66/64/263016664.db2.gz QSBNRADUCWYTPB-NHYWBVRUSA-N 0 1 277.412 3.511 20 0 CHADMN Cc1ccc(C[C@@H](C)c2nc([C@H](N)CC(C)C)no2)cc1 ZINC000414627557 263016859 /nfs/dbraw/zinc/01/68/59/263016859.db2.gz ZHJFNLVYABWNJH-UKRRQHHQSA-N 0 1 287.407 3.770 20 0 CHADMN NC1(c2noc(C3=C(c4ccccc4)CCC3)n2)CCCC1 ZINC000414630002 263017140 /nfs/dbraw/zinc/01/71/40/263017140.db2.gz SCDRTRRKYGOBHH-UHFFFAOYSA-N 0 1 295.386 3.892 20 0 CHADMN Cc1ccc2nc(-c3nc([C@H](N)CC(C)C)no3)ccc2c1 ZINC000414631209 263017380 /nfs/dbraw/zinc/01/73/80/263017380.db2.gz WNNRWAPXHFHVQM-CYBMUJFWSA-N 0 1 296.374 3.639 20 0 CHADMN C[N@@H+](CCCC(=O)[O-])Cc1ccc(C2CCCC2)cc1 ZINC000414641219 263019105 /nfs/dbraw/zinc/01/91/05/263019105.db2.gz SYJBHNFSEQVXFL-UHFFFAOYSA-N 0 1 275.392 3.641 20 0 CHADMN Cc1ccccc1-c1cccc(C[N@@H+](C)CCCC(=O)[O-])c1 ZINC000414638259 263019186 /nfs/dbraw/zinc/01/91/86/263019186.db2.gz NSGBMGWETRHMTD-UHFFFAOYSA-N 0 1 297.398 3.959 20 0 CHADMN CC[C@H](C)[N@H+](CC(=O)[O-])C[C@H](C)CC1CCCCC1 ZINC000414678644 263031415 /nfs/dbraw/zinc/03/14/15/263031415.db2.gz JMXQVUPZOAYHOO-KGLIPLIRSA-N 0 1 269.429 3.778 20 0 CHADMN CCc1ccc(-c2ccc(C[N@H+]3CCC[C@H]3C(=O)[O-])o2)cc1 ZINC000414688897 263032320 /nfs/dbraw/zinc/03/23/20/263032320.db2.gz YXHIWGFXDJCEID-INIZCTEOSA-N 0 1 299.370 3.558 20 0 CHADMN Cc1cnc(C2CCN([C@H](C)c3cccnc3)CC2)s1 ZINC000277573079 263042044 /nfs/dbraw/zinc/04/20/44/263042044.db2.gz VEJIWMMTKLMNOC-CYBMUJFWSA-N 0 1 287.432 3.787 20 0 CHADMN Cc1nnc([C@@H](C)N[C@H](C)Cc2cccc(Cl)c2)s1 ZINC000282691890 263078139 /nfs/dbraw/zinc/07/81/39/263078139.db2.gz PJDSLOYNBMRFMT-NXEZZACHSA-N 0 1 295.839 3.782 20 0 CHADMN CC[C@@H](N[C@H](C)c1cc(C)ccn1)c1ccncc1 ZINC000285991171 263096872 /nfs/dbraw/zinc/09/68/72/263096872.db2.gz ICKSIUCJKZLWGQ-UKRRQHHQSA-N 0 1 255.365 3.587 20 0 CHADMN CCc1noc(C)c1CN[C@H](CC)c1cccc(OC)c1 ZINC000340443679 263151287 /nfs/dbraw/zinc/15/12/87/263151287.db2.gz JUMBISJCBJIIIS-MRXNPFEDSA-N 0 1 288.391 3.795 20 0 CHADMN CC[C@H](C)C[C@H](CC)NCc1ncc(C(F)(F)F)cn1 ZINC000295068229 263171871 /nfs/dbraw/zinc/17/18/71/263171871.db2.gz QVAQBGJZQJLAIG-JQWIXIFHSA-N 0 1 289.345 3.800 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H](C)c2nccnc2C)cc1 ZINC000187683621 263264843 /nfs/dbraw/zinc/26/48/43/263264843.db2.gz WCRKOFCXGBHDSM-TZMCWYRMSA-N 0 1 269.392 3.759 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H]1CCCc2ccccc21 ZINC000187677805 263266503 /nfs/dbraw/zinc/26/65/03/263266503.db2.gz LANFPCJNIQUQKW-CJNGLKHVSA-N 0 1 267.376 3.513 20 0 CHADMN COc1ncc([C@H](C)NCc2cscc2C)cc1Cl ZINC000342590563 263452737 /nfs/dbraw/zinc/45/27/37/263452737.db2.gz GUKYIADZRKZSOU-JTQLQIEISA-N 0 1 296.823 3.964 20 0 CHADMN O=C(Cc1cccc(F)c1)Nc1cc(Cl)c(O)cc1F ZINC000334248399 263517318 /nfs/dbraw/zinc/51/73/18/263517318.db2.gz XIDWRKMWONNFIL-UHFFFAOYSA-N 0 1 297.688 3.505 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H]3CC4CCC3CC4)cc2[nH]1 ZINC000343068271 263587329 /nfs/dbraw/zinc/58/73/29/263587329.db2.gz WFZSOMJOEPOXOE-ORHYLEIMSA-N 0 1 283.375 3.636 20 0 CHADMN CC[C@H](C)CN(C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000171952559 335086585 /nfs/dbraw/zinc/08/65/85/335086585.db2.gz YFQUODXUQKDKAN-NSHDSACASA-N 0 1 296.842 3.873 20 0 CHADMN CCC(CC)c1cc(CN[C@H]2CC[C@@H]2SC)on1 ZINC000425337639 264006534 /nfs/dbraw/zinc/00/65/34/264006534.db2.gz AGTHJJASIPZZRC-JSGCOSHPSA-N 0 1 268.426 3.562 20 0 CHADMN C[C@H](CCO)CNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000125652618 264020827 /nfs/dbraw/zinc/02/08/27/264020827.db2.gz HFNKPTLDZYLMFG-SNVBAGLBSA-N 0 1 298.308 3.684 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C(C)(C)C2CCCC2)c1 ZINC000331248611 264180139 /nfs/dbraw/zinc/18/01/39/264180139.db2.gz XDEDKPSEBUOQPG-UHFFFAOYSA-N 0 1 289.375 3.750 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)CC2CCCCC2)c1 ZINC000331249342 264180281 /nfs/dbraw/zinc/18/02/81/264180281.db2.gz XQDGIRSXIXLNPS-UHFFFAOYSA-N 0 1 275.348 3.504 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCC2 ZINC000188768831 264241175 /nfs/dbraw/zinc/24/11/75/264241175.db2.gz GHLBXIOTAOSCHY-UONOGXRCSA-N 0 1 296.414 3.991 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccncc2OC)cc1 ZINC000188781252 264242389 /nfs/dbraw/zinc/24/23/89/264242389.db2.gz PQCFUUQTAKOWTN-OLZOCXBDSA-N 0 1 286.375 3.511 20 0 CHADMN CC(C)[C@H](C[N@@H+](C)Cc1ccccn1)c1ccccc1 ZINC000474944199 264248454 /nfs/dbraw/zinc/24/84/54/264248454.db2.gz HYMWHHVJMDENPV-SFHVURJKSA-N 0 1 268.404 3.953 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H](C)c1cccs1 ZINC000188790478 264250041 /nfs/dbraw/zinc/25/00/41/264250041.db2.gz ZNZXWGJOVQVXSN-WDEREUQCSA-N 0 1 262.378 3.564 20 0 CHADMN CC(C)(C)[C@@H]1CCC[C@@H](NCc2csnn2)CC1 ZINC000188791320 264250105 /nfs/dbraw/zinc/25/01/05/264250105.db2.gz NEXFQXBOUOWNKO-VXGBXAGGSA-N 0 1 267.442 3.623 20 0 CHADMN CC(C)(C)[C@@H]1CCC[C@H](NCc2csnn2)CC1 ZINC000188791278 264250545 /nfs/dbraw/zinc/25/05/45/264250545.db2.gz NEXFQXBOUOWNKO-NEPJUHHUSA-N 0 1 267.442 3.623 20 0 CHADMN CCOC[C@H]1CCCN(Cc2ccc(Cl)cc2F)C1 ZINC000189030470 264269766 /nfs/dbraw/zinc/26/97/66/264269766.db2.gz QHVLGJGCKIZDOD-LBPRGKRZSA-N 0 1 285.790 3.728 20 0 CHADMN C[C@@H](NCc1cncs1)c1cccc(Br)c1 ZINC000054770568 264344207 /nfs/dbraw/zinc/34/42/07/264344207.db2.gz BABBXXJUSBTMLQ-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)C12CC3CC(CC(C3)C1)C2 ZINC000074819877 264310871 /nfs/dbraw/zinc/31/08/71/264310871.db2.gz ODTGWBVLYGLEGW-UHFFFAOYSA-N 0 1 295.386 3.718 20 0 CHADMN COc1ccsc1CN[C@@H]1CCCc2occc21 ZINC000343278510 264319311 /nfs/dbraw/zinc/31/93/11/264319311.db2.gz LHFZSWHFJUPPML-LLVKDONJSA-N 0 1 263.362 3.517 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3sc(Cl)cc32)cn1 ZINC000129653000 264329738 /nfs/dbraw/zinc/32/97/38/264329738.db2.gz SYRBCNBEEWFFCK-LBPRGKRZSA-N 0 1 278.808 3.882 20 0 CHADMN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1nc(C(F)F)no1 ZINC000425458698 264330428 /nfs/dbraw/zinc/33/04/28/264330428.db2.gz NABPSJZBHALMQU-MXWKQRLJSA-N 0 1 287.354 3.558 20 0 CHADMN CC(C)C[C@@H]1CCCCC[N@H+]1CCCCC(=O)[O-] ZINC000181567487 264470143 /nfs/dbraw/zinc/47/01/43/264470143.db2.gz PEIJICQELPKKID-AWEZNQCLSA-N 0 1 255.402 3.532 20 0 CHADMN CCCC[C@@H](C)N(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000290886188 264801552 /nfs/dbraw/zinc/80/15/52/264801552.db2.gz AHJZHSLBUBFYHS-SNVBAGLBSA-N 0 1 269.772 3.696 20 0 CHADMN C[C@H](CCc1ccco1)[NH2+]Cc1cccc([O-])c1Cl ZINC000294074745 265005724 /nfs/dbraw/zinc/00/57/24/265005724.db2.gz KVZPEOCUZQJIQA-LLVKDONJSA-N 0 1 279.767 3.750 20 0 CHADMN COC(=O)C(C)(C)CCN(C)[C@@H](C)c1cc(F)ccc1F ZINC000525976795 265042781 /nfs/dbraw/zinc/04/27/81/265042781.db2.gz JETMCXAQUJVLGO-NSHDSACASA-N 0 1 299.361 3.547 20 0 CHADMN Cc1c[nH]cc1C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000344520400 265062212 /nfs/dbraw/zinc/06/22/12/265062212.db2.gz LGNMEJMKQACCSX-UHFFFAOYSA-N 0 1 297.402 3.547 20 0 CHADMN Fc1ccc(F)c(CN2CCC[C@H](c3ccncc3)C2)c1 ZINC000347716206 265134426 /nfs/dbraw/zinc/13/44/26/265134426.db2.gz HVJCJBSIAKWLDF-AWEZNQCLSA-N 0 1 288.341 3.739 20 0 CHADMN CSc1cc(CNCc2cc(F)ccc2C)ccn1 ZINC000350340188 265248938 /nfs/dbraw/zinc/24/89/38/265248938.db2.gz CIBAOPQBUPLJOJ-UHFFFAOYSA-N 0 1 276.380 3.541 20 0 CHADMN Cc1cc(CN2Cc3ccccc3O[C@H](C)C2)cc(C)c1O ZINC000012164348 265321205 /nfs/dbraw/zinc/32/12/05/265321205.db2.gz RDGPQTIMVPUABO-OAHLLOKOSA-N 0 1 297.398 3.792 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2csc(C(=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000519711955 265563239 /nfs/dbraw/zinc/56/32/39/265563239.db2.gz VSJASAWEVYSAPF-BNOWGMLFSA-N 0 1 293.432 3.847 20 0 CHADMN COC(=O)c1cnc([C@@H](C)N[C@@H](C)CCC(C)(C)C)s1 ZINC000314768531 266014460 /nfs/dbraw/zinc/01/44/60/266014460.db2.gz IBZJUPCWVQIYAK-WDEREUQCSA-N 0 1 298.452 3.795 20 0 CHADMN Cc1cn[nH]c1CN1Cc2ccccc2-c2ccccc2C1 ZINC000356235629 266078581 /nfs/dbraw/zinc/07/85/81/266078581.db2.gz WIBNOQGEGDLIOI-UHFFFAOYSA-N 0 1 289.382 3.901 20 0 CHADMN CC1(C)CN(Cc2ccc3occc3c2)[C@@H]1[C@H]1CCCO1 ZINC000356254093 266082483 /nfs/dbraw/zinc/08/24/83/266082483.db2.gz GZRCUFIAWZUAJE-IAGOWNOFSA-N 0 1 285.387 3.822 20 0 CHADMN Cc1[nH]ncc1CN1CCCSc2ccc(Cl)cc21 ZINC000356338191 266098347 /nfs/dbraw/zinc/09/83/47/266098347.db2.gz JEPMQZYZDNJUFL-UHFFFAOYSA-N 0 1 293.823 3.874 20 0 CHADMN CC(C)(O)[C@@H]1CCCN1Cc1cscc1C(F)(F)F ZINC000356415094 266109878 /nfs/dbraw/zinc/10/98/78/266109878.db2.gz OSHJRUKYHBBGRQ-NSHDSACASA-N 0 1 293.354 3.502 20 0 CHADMN Cc1ccc(F)c(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000356512817 266128465 /nfs/dbraw/zinc/12/84/65/266128465.db2.gz BMSMGAHUUZPIBM-DLBZAZTESA-N 0 1 289.394 3.668 20 0 CHADMN Cc1cnn([C@@H]2CCN(Cc3ccc(Cl)c(C)c3)C2)c1 ZINC000356529234 266131604 /nfs/dbraw/zinc/13/16/04/266131604.db2.gz QRZONIYGRANWGV-OAHLLOKOSA-N 0 1 289.810 3.600 20 0 CHADMN CSc1ccc(CN[C@H](C)c2ccc(F)cn2)cc1 ZINC000356671690 266156691 /nfs/dbraw/zinc/15/66/91/266156691.db2.gz HDLHBBOHTHBSTR-LLVKDONJSA-N 0 1 276.380 3.793 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccc(OC(C)C)nc1 ZINC000356863415 266197475 /nfs/dbraw/zinc/19/74/75/266197475.db2.gz KJWGYBXVDZDRDS-CQSZACIVSA-N 0 1 299.418 3.677 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@H]1CCCc2occc21 ZINC000356908446 266209450 /nfs/dbraw/zinc/20/94/50/266209450.db2.gz XRXRIRUTUYGMSD-DOMZBBRYSA-N 0 1 270.376 3.965 20 0 CHADMN CC[C@@]1(C)C[C@H]1c1nc(Cc2nc3cccc(C)c3[nH]2)no1 ZINC000356956275 266218641 /nfs/dbraw/zinc/21/86/41/266218641.db2.gz YYTVRVBNRFTEPA-GTNSWQLSSA-N 0 1 296.374 3.749 20 0 CHADMN Cc1cc(CN(C)Cc2cccn2C)ccc1Cl ZINC000356967292 266220194 /nfs/dbraw/zinc/22/01/94/266220194.db2.gz ORTQSTCINABNDF-UHFFFAOYSA-N 0 1 262.784 3.619 20 0 CHADMN CCO[C@@H](C)c1nc(CN(C)[C@@H](C)C2CCC2)cs1 ZINC000357045997 266238104 /nfs/dbraw/zinc/23/81/04/266238104.db2.gz XJOCUOOVFLVTHC-RYUDHWBXSA-N 0 1 282.453 3.861 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc2[nH]ccc2s1 ZINC000357046670 266238211 /nfs/dbraw/zinc/23/82/11/266238211.db2.gz KQKPUTAEWIVJGS-UHFFFAOYSA-N 0 1 296.355 3.666 20 0 CHADMN CCc1cccc(OCCN(Cc2cccnc2)C2CC2)c1 ZINC000357213277 266266629 /nfs/dbraw/zinc/26/66/29/266266629.db2.gz RITNYUMWOUUWLO-UHFFFAOYSA-N 0 1 296.414 3.687 20 0 CHADMN C[C@@H](c1noc(-c2cc(-c3cccs3)n[nH]2)n1)C1CC1 ZINC000357589604 266332289 /nfs/dbraw/zinc/33/22/89/266332289.db2.gz BYGRXEMLZCJSFJ-MRVPVSSYSA-N 0 1 286.360 3.702 20 0 CHADMN C[C@H](NCc1csc2ccccc12)c1cnccn1 ZINC000358011169 266396311 /nfs/dbraw/zinc/39/63/11/266396311.db2.gz YNKPZFBVURLRAX-NSHDSACASA-N 0 1 269.373 3.542 20 0 CHADMN Cc1ccncc1[C@@H](C)Nc1cc2c(cn1)CCCC2 ZINC000361186147 266798896 /nfs/dbraw/zinc/79/88/96/266798896.db2.gz JYZGYWAJZQLTJQ-CYBMUJFWSA-N 0 1 267.376 3.837 20 0 CHADMN Cc1cc(CNC2(c3ccc(Cl)cc3)CCC2)n(C)n1 ZINC000417903488 533687204 /nfs/dbraw/zinc/68/72/04/533687204.db2.gz ZJHACWJPBUPSGW-UHFFFAOYSA-N 0 1 289.810 3.551 20 0 CHADMN CC(C)Cc1ncc(CN2CC3(C2)CCCC3)s1 ZINC000362318518 266959814 /nfs/dbraw/zinc/95/98/14/266959814.db2.gz DIJRYDRBVQCJRH-UHFFFAOYSA-N 0 1 264.438 3.718 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc3ncsc3c2)nc1 ZINC000362525391 267001057 /nfs/dbraw/zinc/00/10/57/267001057.db2.gz MIYNXFUZHYVSEI-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1cc(C)c2c(c1)CN([C@H](C)c1cccnc1)CC2 ZINC000362581537 267010611 /nfs/dbraw/zinc/01/06/11/267010611.db2.gz QYLSNMWCEBOAMS-OAHLLOKOSA-N 0 1 266.388 3.818 20 0 CHADMN Fc1ccccc1-c1cnc(CN2CC3CCC2CC3)o1 ZINC000362622374 267024733 /nfs/dbraw/zinc/02/47/33/267024733.db2.gz NDFPJUSQTBMGAD-UHFFFAOYSA-N 0 1 286.350 3.855 20 0 CHADMN c1csc(-c2nc(CN3CC[C@@H](C4CC4)C3)co2)c1 ZINC000362709490 267037289 /nfs/dbraw/zinc/03/72/89/267037289.db2.gz ZRXFZGQILFNNIL-GFCCVEGCSA-N 0 1 274.389 3.635 20 0 CHADMN c1csc(-c2nc(CN3CC[C@H](C4CC4)C3)co2)c1 ZINC000362709491 267037641 /nfs/dbraw/zinc/03/76/41/267037641.db2.gz ZRXFZGQILFNNIL-LBPRGKRZSA-N 0 1 274.389 3.635 20 0 CHADMN C[C@H](NCc1cc2ccc(F)cc2[nH]1)c1ccccn1 ZINC000362928933 267062781 /nfs/dbraw/zinc/06/27/81/267062781.db2.gz YAXQSBVYGDBBJK-NSHDSACASA-N 0 1 269.323 3.553 20 0 CHADMN C[C@H]1Oc2ccccc2[C@H]1NCc1cc2ccccc2[nH]1 ZINC000367402719 267075159 /nfs/dbraw/zinc/07/51/59/267075159.db2.gz SZOYIORSRMIGDZ-XIKOKIGWSA-N 0 1 278.355 3.780 20 0 CHADMN C[C@H]1Oc2cc(F)ccc2[C@H]1NCc1cccc2[nH]ccc21 ZINC000367957437 267130160 /nfs/dbraw/zinc/13/01/60/267130160.db2.gz KNHVKUGUUMGPEO-ZMZPIMSZSA-N 0 1 296.345 3.919 20 0 CHADMN Cc1nnc(CN2CC[C@@H](C)C3(CCCCC3)C2)s1 ZINC000368154816 267149622 /nfs/dbraw/zinc/14/96/22/267149622.db2.gz XFFDFHRYTWCSGX-GFCCVEGCSA-N 0 1 279.453 3.639 20 0 CHADMN COc1cccc2c1OCC[C@H]2N[C@@H]1CCCc2occc21 ZINC000368446108 267172521 /nfs/dbraw/zinc/17/25/21/267172521.db2.gz UKVWATKKFWAREX-HUUCEWRRSA-N 0 1 299.370 3.779 20 0 CHADMN CCn1cc([C@@H](C)NCc2ccc(C)cc2SC)cn1 ZINC000119278675 267314941 /nfs/dbraw/zinc/31/49/41/267314941.db2.gz KJYVDZNVLJAZNL-CYBMUJFWSA-N 0 1 289.448 3.784 20 0 CHADMN C[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1cnccn1 ZINC000119321274 267321703 /nfs/dbraw/zinc/32/17/03/267321703.db2.gz YHVOFRMNBGDVLJ-YVEFUNNKSA-N 0 1 285.366 3.808 20 0 CHADMN CCCC[C@@H](CC)CC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000370631894 267332073 /nfs/dbraw/zinc/33/20/73/267332073.db2.gz UJONPNLXSPEIPZ-CQSZACIVSA-N 0 1 291.439 3.722 20 0 CHADMN CCCc1ccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000370624458 267332635 /nfs/dbraw/zinc/33/26/35/267332635.db2.gz LJWQIJALJYFLNV-HNNXBMFYSA-N 0 1 298.390 3.561 20 0 CHADMN COc1cccc2c1OCC[C@@H]2N[C@H](C)c1cccc(O)c1 ZINC000370636836 267333647 /nfs/dbraw/zinc/33/36/47/267333647.db2.gz SDWNXZVRPIUNEI-WBMJQRKESA-N 0 1 299.370 3.575 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H](C3CCOCC3)C2)cs1 ZINC000371067499 267349542 /nfs/dbraw/zinc/34/95/42/267349542.db2.gz XBWGCROKPQPEMQ-CQSZACIVSA-N 0 1 294.464 3.515 20 0 CHADMN CCCc1csc(CN[C@H](CO)CC2CCCCC2)n1 ZINC000418125363 267353066 /nfs/dbraw/zinc/35/30/66/267353066.db2.gz JHVRJUPSWHTBLY-HNNXBMFYSA-N 0 1 296.480 3.517 20 0 CHADMN C[C@@H]1CC/C(=C\C(=O)Nc2cccc3c2CN(C2CC2)C3)C1 ZINC000375239411 267841425 /nfs/dbraw/zinc/84/14/25/267841425.db2.gz FWPUGEDALPPLGJ-PCRWRXJSSA-N 0 1 296.414 3.850 20 0 CHADMN c1cc(Oc2ccccc2)oc1CN1CCC2(CCO2)CC1 ZINC000376740146 268013367 /nfs/dbraw/zinc/01/33/67/268013367.db2.gz QRHKRMUVOUIJPZ-UHFFFAOYSA-N 0 1 299.370 3.827 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CCC2(CCC2)C1 ZINC000123299826 268022278 /nfs/dbraw/zinc/02/22/78/268022278.db2.gz OYAZJGJWXQFECV-UHFFFAOYSA-N 0 1 287.382 3.571 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1cc(-c2cccs2)on1 ZINC000123353461 268038535 /nfs/dbraw/zinc/03/85/35/268038535.db2.gz NXHVSBOHCRFKSO-QWRGUYRKSA-N 0 1 262.378 3.776 20 0 CHADMN CC(C)n1nccc1CN1CC=C(c2ccccc2)CC1 ZINC000377134616 268050634 /nfs/dbraw/zinc/05/06/34/268050634.db2.gz RPGBSRJKWZIXMJ-UHFFFAOYSA-N 0 1 281.403 3.753 20 0 CHADMN CO[C@@]1(C)CCCN(c2ccnc3cc(F)ccc32)CC1 ZINC000377212307 268056495 /nfs/dbraw/zinc/05/64/95/268056495.db2.gz AFMUZCBVRTYUQP-KRWDZBQOSA-N 0 1 288.366 3.769 20 0 CHADMN CC(C)n1ccc(CN2CCC(C(C)(C)C)CC2)n1 ZINC000172016797 335088875 /nfs/dbraw/zinc/08/88/75/335088875.db2.gz GDDKBSRIAXCGCK-UHFFFAOYSA-N 0 1 263.429 3.722 20 0 CHADMN Cc1ccccc1C[C@H](NCC(C)(F)F)C1CC1 ZINC000570871530 327629331 /nfs/dbraw/zinc/62/93/31/327629331.db2.gz IEHFJVPOJQYQCQ-AWEZNQCLSA-N 0 1 253.336 3.561 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H](C)c1cccnc1 ZINC000158485193 327629629 /nfs/dbraw/zinc/62/96/29/327629629.db2.gz QRHXSBNGDATACG-CHWSQXEVSA-N 0 1 286.423 3.753 20 0 CHADMN C[C@@H]1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)[C@H]1C ZINC000175269482 327664522 /nfs/dbraw/zinc/66/45/22/327664522.db2.gz IFXQOGPWPIOHIQ-SFYZADRCSA-N 0 1 288.174 3.570 20 0 CHADMN COc1cnccc1[C@H](C)NCc1ccc(C(F)F)cc1 ZINC000187082039 327709262 /nfs/dbraw/zinc/70/92/62/327709262.db2.gz LTSGDXGWFAUTNC-NSHDSACASA-N 0 1 292.329 3.879 20 0 CHADMN C[C@H](c1ccccn1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000177247319 327788663 /nfs/dbraw/zinc/78/86/63/327788663.db2.gz ZWVSXYKEKFORQV-OAHLLOKOSA-N 0 1 294.398 3.738 20 0 CHADMN CC(C)n1ccnc1CN[C@@H](c1ccccc1)C1CC1 ZINC000179107222 327799764 /nfs/dbraw/zinc/79/97/64/327799764.db2.gz SPZSGNJCLCZGSJ-KRWDZBQOSA-N 0 1 269.392 3.705 20 0 CHADMN COC(=O)c1oc([C@@H](C)N[C@@H](C)c2ccccc2)cc1C ZINC000181349437 327809179 /nfs/dbraw/zinc/80/91/79/327809179.db2.gz FIJAIKRORUWGPO-QWHCGFSZSA-N 0 1 287.359 3.786 20 0 CHADMN C[C@H](NCC(C)(C)C)c1nc(-c2cccc(F)c2)no1 ZINC000184650268 327831633 /nfs/dbraw/zinc/83/16/33/327831633.db2.gz LIIWPAYQHNOVIS-JTQLQIEISA-N 0 1 277.343 3.572 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H]1CCCc2cc(F)ccc21 ZINC000188293552 327913232 /nfs/dbraw/zinc/91/32/32/327913232.db2.gz UESVIWLRFRGCFN-WBMJQRKESA-N 0 1 285.366 3.652 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1sc(C)nc1C ZINC000313587484 327926797 /nfs/dbraw/zinc/92/67/97/327926797.db2.gz UKCZUAMUMBAOOZ-LLVKDONJSA-N 0 1 290.432 3.928 20 0 CHADMN C[C@@H]1CCCC[C@H]1C[NH2+]Cc1c(F)ccc([O-])c1F ZINC000510177430 327961929 /nfs/dbraw/zinc/96/19/29/327961929.db2.gz SYEZFSFCCSLJCX-MNOVXSKESA-N 0 1 269.335 3.586 20 0 CHADMN FCC1(NCc2cscc2C(F)(F)F)CCC1 ZINC000583694355 329004382 /nfs/dbraw/zinc/00/43/82/329004382.db2.gz WESHYBAYZPICAY-UHFFFAOYSA-N 0 1 267.291 3.749 20 0 CHADMN Cc1ccccc1CN(CCOC(C)C)Cc1ccccn1 ZINC000567994687 328001135 /nfs/dbraw/zinc/00/11/35/328001135.db2.gz RUBQAPWNVPDSRL-UHFFFAOYSA-N 0 1 298.430 3.817 20 0 CHADMN O=C([O-])[C@@H](c1ccccc1F)[N@H+]1CCC2(C1)CCCCC2 ZINC000563284689 328008562 /nfs/dbraw/zinc/00/85/62/328008562.db2.gz YHQLWCXSQPGMKU-OAHLLOKOSA-N 0 1 291.366 3.608 20 0 CHADMN CC(C)N(Cc1cccnc1)Cc1ccc(F)c(F)c1 ZINC000339291091 328004281 /nfs/dbraw/zinc/00/42/81/328004281.db2.gz VGHCJXQAWRPYPJ-UHFFFAOYSA-N 0 1 276.330 3.770 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000563282969 328008632 /nfs/dbraw/zinc/00/86/32/328008632.db2.gz VLDBULCNHHRQNE-KRWDZBQOSA-N 0 1 287.403 3.728 20 0 CHADMN CCC[C@]1(C)CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2)C1 ZINC000563280088 328007317 /nfs/dbraw/zinc/00/73/17/328007317.db2.gz KDZSCWINZYZXPF-DOTOQJQBSA-N 0 1 275.392 3.715 20 0 CHADMN Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000563284151 328008452 /nfs/dbraw/zinc/00/84/52/328008452.db2.gz RRORAPQZQQDJSK-KGLIPLIRSA-N 0 1 299.370 3.664 20 0 CHADMN Cc1ccnc(CN2CCC[C@H]2CCC2CCCC2)n1 ZINC000339662129 328012665 /nfs/dbraw/zinc/01/26/65/328012665.db2.gz HNJSHWPMLZCNKA-INIZCTEOSA-N 0 1 273.424 3.720 20 0 CHADMN Cc1cccc(CN2CCO[C@@](C)(c3ccccc3)C2)c1 ZINC000531588253 328016830 /nfs/dbraw/zinc/01/68/30/328016830.db2.gz ONRLCISYBHVBIG-LJQANCHMSA-N 0 1 281.399 3.743 20 0 CHADMN COC1(C)CCN(Cc2cscc2C(F)(F)F)CC1 ZINC000356437445 328019065 /nfs/dbraw/zinc/01/90/65/328019065.db2.gz LWAKVTOVHRDBMR-UHFFFAOYSA-N 0 1 293.354 3.768 20 0 CHADMN c1c(CN[C@H](CC2CC2)c2ccccc2)nc2ccccn12 ZINC000531677192 328023040 /nfs/dbraw/zinc/02/30/40/328023040.db2.gz HKISHACCQAGJJW-GOSISDBHSA-N 0 1 291.398 3.965 20 0 CHADMN C[C@H](N[C@@H]1C[N@H+](C)C[C@@H]1C)c1cccc(Cl)c1Cl ZINC000531712630 328027690 /nfs/dbraw/zinc/02/76/90/328027690.db2.gz RWYJFOMGQXTKBG-OUJBWJOFSA-N 0 1 287.234 3.594 20 0 CHADMN CC(C)C[C@H]1COCCN1Cc1cc2ccccc2o1 ZINC000531757212 328032035 /nfs/dbraw/zinc/03/20/35/328032035.db2.gz PJPDIDJDNOZRGT-HNNXBMFYSA-N 0 1 273.376 3.680 20 0 CHADMN CCC(CC)N(CCOC)Cc1ncc(C(C)(C)C)o1 ZINC000064805960 328037232 /nfs/dbraw/zinc/03/72/32/328037232.db2.gz DQNVRMZMMCEOHX-UHFFFAOYSA-N 0 1 282.428 3.609 20 0 CHADMN CN(CCOC(C)(C)C)Cc1ccc(Cl)c(F)c1 ZINC000534228663 328040078 /nfs/dbraw/zinc/04/00/78/328040078.db2.gz ACNNYEHKASRZJV-UHFFFAOYSA-N 0 1 273.779 3.726 20 0 CHADMN Cc1nn(C)cc1CN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000534327317 328046083 /nfs/dbraw/zinc/04/60/83/328046083.db2.gz TXROPVAYOWBHIS-UHFFFAOYSA-N 0 1 285.435 3.658 20 0 CHADMN Cc1ccc(CN2C3CCC2CC3)c(Br)c1 ZINC000534331396 328046211 /nfs/dbraw/zinc/04/62/11/328046211.db2.gz DCINAMQBVKMGCM-UHFFFAOYSA-N 0 1 280.209 3.884 20 0 CHADMN c1cc([C@H]2CCC[N@@H+]2Cc2ccc3[nH]cnc3c2)cs1 ZINC000534336765 328049205 /nfs/dbraw/zinc/04/92/05/328049205.db2.gz FORGEMLLKHZHLL-MRXNPFEDSA-N 0 1 283.400 3.962 20 0 CHADMN Clc1ccc2nc(SC[C@@H]3CCCOC3)[nH]c2c1 ZINC000531875793 328053132 /nfs/dbraw/zinc/05/31/32/328053132.db2.gz DGVQALCCUQZPIZ-SECBINFHSA-N 0 1 282.796 3.735 20 0 CHADMN CCC(C)(C)c1ccc(NC(=O)[C@H](C)Cc2cnc[nH]2)cc1 ZINC000563391771 328060528 /nfs/dbraw/zinc/06/05/28/328060528.db2.gz AOTHLVOJAOFGHV-CYBMUJFWSA-N 0 1 299.418 3.915 20 0 CHADMN COCc1ccc(CNCc2ccc(C(C)C)cc2)o1 ZINC000268806071 328072518 /nfs/dbraw/zinc/07/25/18/328072518.db2.gz RXLBLCXYDBHZNF-UHFFFAOYSA-N 0 1 273.376 3.839 20 0 CHADMN C[C@@H](CC(C)(C)C)c1nc(-c2ccn3cncc3c2)no1 ZINC000571087140 328084312 /nfs/dbraw/zinc/08/43/12/328084312.db2.gz ZZFFLOYABJIVRY-NSHDSACASA-N 0 1 284.363 3.924 20 0 CHADMN C[C@H](CC(C)(C)C)c1nc(-c2ccn3cncc3c2)no1 ZINC000571087138 328084386 /nfs/dbraw/zinc/08/43/86/328084386.db2.gz ZZFFLOYABJIVRY-LLVKDONJSA-N 0 1 284.363 3.924 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])CC1CC(F)(F)C1 ZINC000571180173 328091041 /nfs/dbraw/zinc/09/10/41/328091041.db2.gz APWLQUPWCKRNMZ-AWEZNQCLSA-N 0 1 297.345 3.570 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cnn(C(C)C)c2)cs1 ZINC000571254010 328094785 /nfs/dbraw/zinc/09/47/85/328094785.db2.gz KPOVVKFCVPYALO-LBPRGKRZSA-N 0 1 263.410 3.685 20 0 CHADMN C[C@@H]1CCC[C@H](C)CN1Cc1cc(C(C)(C)C)on1 ZINC000571247062 328095321 /nfs/dbraw/zinc/09/53/21/328095321.db2.gz KUZVRQKWFWLUHJ-QWHCGFSZSA-N 0 1 264.413 3.983 20 0 CHADMN CC1(C)CC=C(C(=O)Nc2cccc(-c3cn[nH]n3)c2)CC1 ZINC000412240210 328106047 /nfs/dbraw/zinc/10/60/47/328106047.db2.gz FJCIJIGBFPBAHQ-UHFFFAOYSA-N 0 1 296.374 3.547 20 0 CHADMN O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000571423809 328120988 /nfs/dbraw/zinc/12/09/88/328120988.db2.gz JWZFPBCYXJJHDD-KWCYVHTRSA-N 0 1 298.390 3.503 20 0 CHADMN Cc1ccc(F)cc1CN[C@@H]1c2ccccc2O[C@@H]1C ZINC000571440902 328122172 /nfs/dbraw/zinc/12/21/72/328122172.db2.gz NXMWDQDFLCIFPB-PXAZEXFGSA-N 0 1 271.335 3.746 20 0 CHADMN CC1(C)OCC[C@@H]1NCc1cc(Cl)sc1Cl ZINC000393463642 329092712 /nfs/dbraw/zinc/09/27/12/329092712.db2.gz BLVLPCDDIOVDLF-QMMMGPOBSA-N 0 1 280.220 3.712 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@@H]1CS[C@@H](C)C1 ZINC000413518177 328147927 /nfs/dbraw/zinc/14/79/27/328147927.db2.gz NDSQWOJYJJOFIZ-UWVGGRQHSA-N 0 1 292.379 3.688 20 0 CHADMN CC[C@@H](O)CCN[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414095865 328152384 /nfs/dbraw/zinc/15/23/84/328152384.db2.gz OEUYRWQKXGGPKF-GXTWGEPZSA-N 0 1 290.432 3.622 20 0 CHADMN Cc1ccc(CN(Cc2ccoc2)C2CCCCC2)nn1 ZINC000414395206 328162697 /nfs/dbraw/zinc/16/26/97/328162697.db2.gz JOGQUUZIOWCWBA-UHFFFAOYSA-N 0 1 285.391 3.713 20 0 CHADMN CC1(C)CC(CNCc2ncc(C(F)(F)F)s2)C1 ZINC000582643619 329119638 /nfs/dbraw/zinc/11/96/38/329119638.db2.gz USXJWMWGCPRVRQ-UHFFFAOYSA-N 0 1 278.343 3.688 20 0 CHADMN COc1cccc2c1CC[C@@H]2NCc1ccc(Cl)cn1 ZINC000271808038 328197301 /nfs/dbraw/zinc/19/73/01/328197301.db2.gz AHKYODRKBCJUCM-HNNXBMFYSA-N 0 1 288.778 3.521 20 0 CHADMN CCC[C@@H]1CCC[C@@H]1c1nc([C@@H](N)CC(C)C)no1 ZINC000414617016 328202518 /nfs/dbraw/zinc/20/25/18/328202518.db2.gz IMKFVZLSHUOZSP-AGIUHOORSA-N 0 1 265.401 3.799 20 0 CHADMN CCC[C@@H]1CCC[C@H]1c1nc([C@@H](N)CC(C)C)no1 ZINC000414617019 328202554 /nfs/dbraw/zinc/20/25/54/328202554.db2.gz IMKFVZLSHUOZSP-UPJWGTAASA-N 0 1 265.401 3.799 20 0 CHADMN CO[C@@H](C)c1nc(CN2CCC[C@@H]2C2CCC2)cs1 ZINC000175171343 329165970 /nfs/dbraw/zinc/16/59/70/329165970.db2.gz KXVZIOHRVYPBJK-SMDDNHRTSA-N 0 1 280.437 3.615 20 0 CHADMN Cc1noc([C@@H]2CCCN2CCCCc2ccccc2)n1 ZINC000285509056 328247885 /nfs/dbraw/zinc/24/78/85/328247885.db2.gz DEFRIVAUFSJYJZ-INIZCTEOSA-N 0 1 285.391 3.538 20 0 CHADMN Fc1cc(CN[C@@H]2CCCc3ccccc32)c(F)cn1 ZINC000290103379 328257953 /nfs/dbraw/zinc/25/79/53/328257953.db2.gz NQQDUKFPWIVHMZ-OAHLLOKOSA-N 0 1 274.314 3.527 20 0 CHADMN Fc1ccc(F)c(CNCc2ccc3c(c2)CCCN3)c1 ZINC000414981603 328286662 /nfs/dbraw/zinc/28/66/62/328286662.db2.gz XZCPZKLVXLJTDS-UHFFFAOYSA-N 0 1 288.341 3.613 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CCCC[C@H]1C(C)C ZINC000395880856 329301642 /nfs/dbraw/zinc/30/16/42/329301642.db2.gz IJCNLSSSFQRVEQ-ZDUSSCGKSA-N 0 1 281.421 3.765 20 0 CHADMN CC[C@H](NCc1cccnc1N(C)C)c1cccc(F)c1 ZINC000187766992 328301930 /nfs/dbraw/zinc/30/19/30/328301930.db2.gz OBONEAFYJCUSPT-INIZCTEOSA-N 0 1 287.382 3.528 20 0 CHADMN CCC[C@H](N[C@H](C)c1nccnc1C)c1ccccc1 ZINC000187699062 328301068 /nfs/dbraw/zinc/30/10/68/328301068.db2.gz HEXUQELPLDZRKV-ZBFHGGJFSA-N 0 1 269.392 3.977 20 0 CHADMN CCCN(C)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000049480604 328364735 /nfs/dbraw/zinc/36/47/35/328364735.db2.gz KEWYDLPMFJUGPF-ZDUSSCGKSA-N 0 1 270.376 3.509 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2ccc(Cl)c(Cl)c2)C[C@H]1O ZINC000534864220 328365908 /nfs/dbraw/zinc/36/59/08/328365908.db2.gz XYMGFGFXYRDURV-IMSIIYSGSA-N 0 1 288.218 3.757 20 0 CHADMN C[C@H](NCCOC1CCCCC1)c1cc(F)ccc1F ZINC000111635457 328370153 /nfs/dbraw/zinc/37/01/53/328370153.db2.gz HFWCIMLFKPRHKK-LBPRGKRZSA-N 0 1 283.362 3.965 20 0 CHADMN Oc1ccc(-c2nc(Cc3ccccc3)no2)cc1Cl ZINC000111687127 328374655 /nfs/dbraw/zinc/37/46/55/328374655.db2.gz OTNMYFWYTCHQHY-UHFFFAOYSA-N 0 1 286.718 3.686 20 0 CHADMN Cc1ccc(CN(Cc2ccccn2)C(C)C)cc1F ZINC000535082084 328385359 /nfs/dbraw/zinc/38/53/59/328385359.db2.gz NSXWTPIAIZUASJ-UHFFFAOYSA-N 0 1 272.367 3.940 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1nc(C(C)(C)C)no1 ZINC000532013714 328391788 /nfs/dbraw/zinc/39/17/88/328391788.db2.gz PTAQLLQZBGMOFN-ZDUSSCGKSA-N 0 1 279.428 3.912 20 0 CHADMN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)n1 ZINC000112716519 328446369 /nfs/dbraw/zinc/44/63/69/328446369.db2.gz ZPXVZPPDWQNVMP-ZIAGYGMSSA-N 0 1 276.424 3.790 20 0 CHADMN C[C@@H](N[C@H](C)c1ccncn1)c1ccc(C2CC2)cc1 ZINC000417361901 328454432 /nfs/dbraw/zinc/45/44/32/328454432.db2.gz ZLOLVERYYGGUKE-CHWSQXEVSA-N 0 1 267.376 3.766 20 0 CHADMN Cc1nn(C)cc1CN[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000123595961 326821512 /nfs/dbraw/zinc/82/15/12/326821512.db2.gz CXZYNWXRAKMJBV-VIFPVBQESA-N 0 1 298.217 3.886 20 0 CHADMN CC[C@H](N[C@H](C)c1ccccn1)c1ccccc1OC ZINC000036995055 326833162 /nfs/dbraw/zinc/83/31/62/326833162.db2.gz RHHNJFHDPHKUKO-HIFRSBDPSA-N 0 1 270.376 3.892 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)N[C@@H](C)c1cncc(F)c1 ZINC000584040560 326904917 /nfs/dbraw/zinc/90/49/17/326904917.db2.gz PBSGFRPXGITVBT-QWHCGFSZSA-N 0 1 288.366 3.950 20 0 CHADMN Cc1ccc(CN2CCC(C(F)(F)F)CC2)cc1F ZINC000506496910 332773734 /nfs/dbraw/zinc/77/37/34/332773734.db2.gz TYSHCGXTGPXJGL-UHFFFAOYSA-N 0 1 275.289 3.908 20 0 CHADMN Cc1ccsc1[C@H](C)NCc1ccn(C(C)C)n1 ZINC000556668149 326956995 /nfs/dbraw/zinc/95/69/95/326956995.db2.gz PGAJTYQMXPOGML-LBPRGKRZSA-N 0 1 263.410 3.685 20 0 CHADMN Cc1nc2cc(N[C@H](C)Cc3ccc(O)cc3)ccc2n1C ZINC000556833793 326970051 /nfs/dbraw/zinc/97/00/51/326970051.db2.gz CYNBQCCCFUPGHI-GFCCVEGCSA-N 0 1 295.386 3.630 20 0 CHADMN CC[N@@H+](CC[C@@H](C(=O)[O-])c1ccccc1)C1CCCC1 ZINC000565780531 327011115 /nfs/dbraw/zinc/01/11/15/327011115.db2.gz ZUGQPOMWSWPORV-MRXNPFEDSA-N 0 1 275.392 3.509 20 0 CHADMN Cc1cnc(CN(C)[C@@H](C)Cc2ccccc2C)s1 ZINC000576100638 327016516 /nfs/dbraw/zinc/01/65/16/327016516.db2.gz XCZIWJYQVPKYII-ZDUSSCGKSA-N 0 1 274.433 3.823 20 0 CHADMN Cc1ccc2c(c1)CN(c1ccnc3ccccc31)CCO2 ZINC000557735044 327023979 /nfs/dbraw/zinc/02/39/79/327023979.db2.gz OSCCJTAHVZTVKP-UHFFFAOYSA-N 0 1 290.366 3.942 20 0 CHADMN C[N@@H+](CCCC(=O)c1ccc(F)cc1)CCC(F)(F)F ZINC000088431934 327024962 /nfs/dbraw/zinc/02/49/62/327024962.db2.gz SERRKDCMEVMMNA-UHFFFAOYSA-N 0 1 291.288 3.673 20 0 CHADMN CN(CCCC(=O)c1ccc(F)cc1)CCC(F)(F)F ZINC000088431934 327024963 /nfs/dbraw/zinc/02/49/63/327024963.db2.gz SERRKDCMEVMMNA-UHFFFAOYSA-N 0 1 291.288 3.673 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2ccc(Cl)cn2)c1 ZINC000557792141 327027253 /nfs/dbraw/zinc/02/72/53/327027253.db2.gz NBWRMMRSBDFXBT-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN CCc1ccc([C@H](N[C@H]2CCn3ccnc32)C(C)C)cc1 ZINC000557930326 327036242 /nfs/dbraw/zinc/03/62/42/327036242.db2.gz GYECXGCQUKZXKI-DLBZAZTESA-N 0 1 283.419 3.877 20 0 CHADMN Cc1csc(CNCc2ccc(Br)cn2)c1 ZINC000344609704 327047661 /nfs/dbraw/zinc/04/76/61/327047661.db2.gz JIWNLBWTLLVGLW-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1csc2ccccc12 ZINC000263526731 327075755 /nfs/dbraw/zinc/07/57/55/327075755.db2.gz UIYVQOIJYFJCTP-VXGBXAGGSA-N 0 1 289.400 3.586 20 0 CHADMN CC[C@H](c1cccc(OC)c1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000558166505 327077466 /nfs/dbraw/zinc/07/74/66/327077466.db2.gz LRBMJQSCNMTKFS-DLBZAZTESA-N 0 1 277.408 3.647 20 0 CHADMN Cc1cnccc1CN[C@@H](CC(F)F)c1ccccc1 ZINC000566077579 327129175 /nfs/dbraw/zinc/12/91/75/327129175.db2.gz SDAXHZAEPMAOGL-HNNXBMFYSA-N 0 1 276.330 3.876 20 0 CHADMN COc1cc(CCNc2cc(C)ccn2)ccc1Cl ZINC000558978860 327136002 /nfs/dbraw/zinc/13/60/02/327136002.db2.gz WBRRXXZXIHMPDA-UHFFFAOYSA-N 0 1 276.767 3.707 20 0 CHADMN CC1CN(Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000559072326 327140124 /nfs/dbraw/zinc/14/01/24/327140124.db2.gz DQGYUKLTWGSNJH-UHFFFAOYSA-N 0 1 295.430 3.677 20 0 CHADMN COc1ccc(F)c(CN[C@@H]2CCc3cc(C)ccc32)c1 ZINC000559253018 327150691 /nfs/dbraw/zinc/15/06/91/327150691.db2.gz STAMBSQCNUFSSF-GOSISDBHSA-N 0 1 285.362 3.920 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](C)[C@@H]1C)c1nc(C2CCCCC2)no1 ZINC000559303673 327157356 /nfs/dbraw/zinc/15/73/56/327157356.db2.gz IUKMHSXVJWBCTI-ZJQBRPOHSA-N 0 1 277.412 3.812 20 0 CHADMN CCOCC(C)(C)NCc1ccc(Oc2ccccc2)o1 ZINC000559322669 327159581 /nfs/dbraw/zinc/15/95/81/327159581.db2.gz POIFZUKKVPFXCN-UHFFFAOYSA-N 0 1 289.375 3.977 20 0 CHADMN CC[C@@H](NCc1ccc(F)cc1)c1ccc(F)cn1 ZINC000131219364 327161770 /nfs/dbraw/zinc/16/17/70/327161770.db2.gz ZRMGUOGVZSERFV-CQSZACIVSA-N 0 1 262.303 3.601 20 0 CHADMN c1ccc(OCC2CC2)c(CNc2cc3c(cn2)CCC3)c1 ZINC000559351277 327166958 /nfs/dbraw/zinc/16/69/58/327166958.db2.gz HPODUZFBUXYNPA-UHFFFAOYSA-N 0 1 294.398 3.971 20 0 CHADMN CC(C)(C)CCCN1CCO[C@H](c2cccs2)C1 ZINC000410412386 327192318 /nfs/dbraw/zinc/19/23/18/327192318.db2.gz BWFKMINWSXXLAS-ZDUSSCGKSA-N 0 1 267.438 3.948 20 0 CHADMN CC[C@H](C)CN(CC)C(=O)c1ccc(O)c(Cl)c1 ZINC000093255344 327197004 /nfs/dbraw/zinc/19/70/04/327197004.db2.gz PCPDHNBJUYJTIH-JTQLQIEISA-N 0 1 269.772 3.554 20 0 CHADMN Cc1nc2c(s1)[C@@H](N(C)Cc1scnc1C)CCC2 ZINC000093365189 327197961 /nfs/dbraw/zinc/19/79/61/327197961.db2.gz JNKAKEGJXVQAQA-LBPRGKRZSA-N 0 1 293.461 3.726 20 0 CHADMN C[C@@H](N[C@H]1CC2CCC1CC2)c1nc(C(C)(C)C)no1 ZINC000584268858 327205033 /nfs/dbraw/zinc/20/50/33/327205033.db2.gz HNSFCKRNGZBUKM-XVSSEFHLSA-N 0 1 277.412 3.596 20 0 CHADMN COc1cccc([C@@H](C)N2CC=C(C(F)(F)F)CC2)c1 ZINC000533836528 327221249 /nfs/dbraw/zinc/22/12/49/327221249.db2.gz LMCIFZUGCUYMBH-LLVKDONJSA-N 0 1 285.309 3.951 20 0 CHADMN COc1cccc([C@H](C)N2CC=C(C(F)(F)F)CC2)c1 ZINC000533836529 327221296 /nfs/dbraw/zinc/22/12/96/327221296.db2.gz LMCIFZUGCUYMBH-NSHDSACASA-N 0 1 285.309 3.951 20 0 CHADMN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCC1 ZINC000053435699 327240730 /nfs/dbraw/zinc/24/07/30/327240730.db2.gz NXZVZNRIQOWDMY-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN FC[C@@H]1CCCN1[C@H]1CCCc2ccc(F)cc21 ZINC000559409961 327243778 /nfs/dbraw/zinc/24/37/78/327243778.db2.gz JHXZMFAIQXNNBZ-ZFWWWQNUSA-N 0 1 251.320 3.637 20 0 CHADMN FC[C@H]1CCCN1[C@H]1CCc2ccc(Cl)cc21 ZINC000559411654 327244055 /nfs/dbraw/zinc/24/40/55/327244055.db2.gz UDJJCLMSMZUDFB-OCCSQVGLSA-N 0 1 253.748 3.761 20 0 CHADMN Cc1nnsc1CN[C@H]1CCCc2ccc(Cl)cc21 ZINC000555607820 327247590 /nfs/dbraw/zinc/24/75/90/327247590.db2.gz ATXBDBXSRPVZCV-ZDUSSCGKSA-N 0 1 293.823 3.667 20 0 CHADMN Cc1cc([C@@H](C)NCCCC2CCCCC2)no1 ZINC000556233627 327251040 /nfs/dbraw/zinc/25/10/40/327251040.db2.gz KKNIOTCWVFQPCV-CYBMUJFWSA-N 0 1 250.386 3.994 20 0 CHADMN CC[C@@H](Nc1cc2c(cn1)CCCC2)C1CCOCC1 ZINC000564664785 327252530 /nfs/dbraw/zinc/25/25/30/327252530.db2.gz MTXKEHKIDQVPNT-MRXNPFEDSA-N 0 1 274.408 3.578 20 0 CHADMN CC[C@H](Nc1cc2c(cn1)CCCC2)C1CCOCC1 ZINC000564664784 327252536 /nfs/dbraw/zinc/25/25/36/327252536.db2.gz MTXKEHKIDQVPNT-INIZCTEOSA-N 0 1 274.408 3.578 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1N[C@@H](C)[C@@H](C)O ZINC000573795385 327258063 /nfs/dbraw/zinc/25/80/63/327258063.db2.gz GEABXYSGVROWIS-LSDHHAIUSA-N 0 1 276.424 3.557 20 0 CHADMN C[C@@H](N[C@H]1CCC[C@H]1F)c1cc(F)c(F)c(F)c1 ZINC000559915630 327270939 /nfs/dbraw/zinc/27/09/39/327270939.db2.gz HDWZJYPTLUPPBM-GMEUVTARSA-N 0 1 261.262 3.645 20 0 CHADMN C[C@H](N[C@@H]1CCc2cc(F)ccc21)c1cn2ccccc2n1 ZINC000559920987 327271946 /nfs/dbraw/zinc/27/19/46/327271946.db2.gz DTPNDSDSDNDDAC-BLLLJJGKSA-N 0 1 295.361 3.812 20 0 CHADMN COC1CC(Nc2ccc(N3CCCCCC3)cc2C)C1 ZINC000573961150 327275421 /nfs/dbraw/zinc/27/54/21/327275421.db2.gz KOCMAGUKDFLQNY-UHFFFAOYSA-N 0 1 288.435 3.965 20 0 CHADMN COc1cc(F)cc(C[N@@H+](Cc2ccccn2)C(C)C)c1 ZINC000560102038 327284557 /nfs/dbraw/zinc/28/45/57/327284557.db2.gz ORAZGVBNCCKCNY-UHFFFAOYSA-N 0 1 288.366 3.640 20 0 CHADMN COc1cc(F)cc(CN(Cc2ccccn2)C(C)C)c1 ZINC000560102038 327284558 /nfs/dbraw/zinc/28/45/58/327284558.db2.gz ORAZGVBNCCKCNY-UHFFFAOYSA-N 0 1 288.366 3.640 20 0 CHADMN CCn1c2ccccc2nc1CN1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000560133727 327285646 /nfs/dbraw/zinc/28/56/46/327285646.db2.gz WFJXUXXDUMAVBR-BEFAXECRSA-N 0 1 295.430 3.677 20 0 CHADMN Cc1noc(C(C)(C)NCCc2ccc(C(C)C)cc2)n1 ZINC000560266133 327295423 /nfs/dbraw/zinc/29/54/23/327295423.db2.gz GNYZYVWUOXGYJK-UHFFFAOYSA-N 0 1 287.407 3.569 20 0 CHADMN c1coc([C@@H](NC[C@H]2CCCCO2)c2ccccc2)c1 ZINC000049899901 327298916 /nfs/dbraw/zinc/29/89/16/327298916.db2.gz KWZVLVLIVYGENW-WBVHZDCISA-N 0 1 271.360 3.528 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1ccc(C)s1)CCO2 ZINC000050225340 327313914 /nfs/dbraw/zinc/31/39/14/327313914.db2.gz NLCCYWLHXZOCJA-OAHLLOKOSA-N 0 1 289.400 3.679 20 0 CHADMN Cc1noc([C@@H]2CCCCN2CCCc2ccc(C)cc2)n1 ZINC000560533839 327320299 /nfs/dbraw/zinc/32/02/99/327320299.db2.gz ZBQMANCCGZYZTI-KRWDZBQOSA-N 0 1 299.418 3.846 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc3[nH]cnc3c2)n1 ZINC000560558635 327324695 /nfs/dbraw/zinc/32/46/95/327324695.db2.gz FAAOPDTYIWRJAG-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc3[nH]cnc3c2)n1 ZINC000560558633 327324726 /nfs/dbraw/zinc/32/47/26/327324726.db2.gz FAAOPDTYIWRJAG-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN COc1cc(CN2C[C@@H](C)[C@@H]2c2ccccc2)cc(OC)c1 ZINC000560566000 327325379 /nfs/dbraw/zinc/32/53/79/327325379.db2.gz JLSXBVSHCQXJFD-AUUYWEPGSA-N 0 1 297.398 3.897 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H]2CF)cc(C)c1OC(F)F ZINC000560611630 327330359 /nfs/dbraw/zinc/33/03/59/327330359.db2.gz MJIFWTNJHMFKRL-ZDUSSCGKSA-N 0 1 287.325 3.839 20 0 CHADMN Cc1cc(CN2CCC[C@H]2CF)cc(C)c1OC(F)F ZINC000560611630 327330360 /nfs/dbraw/zinc/33/03/60/327330360.db2.gz MJIFWTNJHMFKRL-ZDUSSCGKSA-N 0 1 287.325 3.839 20 0 CHADMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1cc(C(=O)[O-])oc1C)C1CC1 ZINC000566359263 327335861 /nfs/dbraw/zinc/33/58/61/327335861.db2.gz UWJLFHPCGNUONA-GHMZBOCLSA-N 0 1 279.380 3.685 20 0 CHADMN CCc1ccccc1NC(=O)CN1CCC(C)(CC)CC1 ZINC000507206439 332795987 /nfs/dbraw/zinc/79/59/87/332795987.db2.gz OEPQTWRYCRAFSL-UHFFFAOYSA-N 0 1 288.435 3.700 20 0 CHADMN CCc1ccc(CN[C@H](c2ccccc2F)[C@H](C)O)cc1 ZINC000574761676 327375783 /nfs/dbraw/zinc/37/57/83/327375783.db2.gz LPQQQDRMOGKDLQ-UGSOOPFHSA-N 0 1 287.378 3.600 20 0 CHADMN CCCC(C)(C)CC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000427431912 327375874 /nfs/dbraw/zinc/37/58/74/327375874.db2.gz OOXWNXGRRGSEDJ-VXGBXAGGSA-N 0 1 294.443 3.712 20 0 CHADMN CC(C)N(CC(=O)c1cccn1C)[C@H](C)c1ccccc1 ZINC000428852474 327387334 /nfs/dbraw/zinc/38/73/34/327387334.db2.gz WFABGFZCOAVVTQ-OAHLLOKOSA-N 0 1 284.403 3.679 20 0 CHADMN Cc1ccc2nc(CNCc3cc(C)c(C)cc3C)cn2c1 ZINC000561468327 327397200 /nfs/dbraw/zinc/39/72/00/327397200.db2.gz RNPAGKHMOMKNPS-UHFFFAOYSA-N 0 1 293.414 3.858 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@H](C)c3cccc(C)c3)[nH]c2c1 ZINC000561501881 327399895 /nfs/dbraw/zinc/39/98/95/327399895.db2.gz QNIBRWSLTNRQNG-CYBMUJFWSA-N 0 1 293.370 3.922 20 0 CHADMN CCCC[C@@H]([NH2+]Cc1nc(C)ccc1[O-])C1CCC1 ZINC000561981719 327435965 /nfs/dbraw/zinc/43/59/65/327435965.db2.gz DRVFPQGMEWOZGO-CQSZACIVSA-N 0 1 262.397 3.544 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(F)cc1F ZINC000151820461 327509615 /nfs/dbraw/zinc/50/96/15/327509615.db2.gz MFCRLVKNFHLSSP-ZUZCIYMTSA-N 0 1 279.334 3.500 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@@H]1CCc2c1cccc2OC ZINC000507460824 332806677 /nfs/dbraw/zinc/80/66/77/332806677.db2.gz JSMPXNVWOPCWRJ-CXAGYDPISA-N 0 1 296.414 3.991 20 0 CHADMN Cc1ccc2oc(CN[C@@H]3CCCc4nn(C)cc43)cc2c1 ZINC000570108129 327569997 /nfs/dbraw/zinc/56/99/97/327569997.db2.gz UMQUXQAEPMQKGL-MRXNPFEDSA-N 0 1 295.386 3.642 20 0 CHADMN COc1ccc(Cl)c(CN2C[C@@H](C)S[C@H](C)C2)c1 ZINC000570222452 327577301 /nfs/dbraw/zinc/57/73/01/327577301.db2.gz PZSPSYSPUGWSFK-GHMZBOCLSA-N 0 1 285.840 3.674 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1cccc(N(C)C)c1 ZINC000507505612 332810335 /nfs/dbraw/zinc/81/03/35/332810335.db2.gz FIBKBZPSADZGAI-CQSZACIVSA-N 0 1 283.419 3.561 20 0 CHADMN COc1ccc(F)c(CN[C@@H]2c3ccccc3C[C@H]2C)c1 ZINC000570701303 327612226 /nfs/dbraw/zinc/61/22/26/327612226.db2.gz JHIAGCUIWCMNTO-XIKOKIGWSA-N 0 1 285.362 3.857 20 0 CHADMN O=C(Nc1ccc2ncccc2c1)c1ccc(O)c(Cl)c1 ZINC000054108740 328686470 /nfs/dbraw/zinc/68/64/70/328686470.db2.gz LGXFWESCLVURRI-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000536773951 328694458 /nfs/dbraw/zinc/69/44/58/328694458.db2.gz YNNREPROCOLQJO-VNHYZAJKSA-N 0 1 270.376 3.957 20 0 CHADMN CCC(CC)NC(=O)[C@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000042336637 328763868 /nfs/dbraw/zinc/76/38/68/328763868.db2.gz YRCHQPZOTKUAGD-NEPJUHHUSA-N 0 1 296.842 3.684 20 0 CHADMN CC(C)c1csc(NC(=O)c2ccc(O)c(Cl)c2)n1 ZINC000042306628 328764807 /nfs/dbraw/zinc/76/48/07/328764807.db2.gz XHKKYCYODKJCRS-UHFFFAOYSA-N 0 1 296.779 3.878 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)C(C)(C)C)c1ccncn1 ZINC000395936768 328782100 /nfs/dbraw/zinc/78/21/00/328782100.db2.gz ZMJYRYSELGRQBI-CZUORRHYSA-N 0 1 269.392 3.915 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccncn1)c1ccc(Cl)cc1 ZINC000395951870 328788946 /nfs/dbraw/zinc/78/89/46/328788946.db2.gz GEPZETGZDJIEQI-BXUZGUMPSA-N 0 1 275.783 3.932 20 0 CHADMN Cc1ccccc1[C@H](CO)N[C@@H](C)c1cccc(F)c1 ZINC000532550485 328790658 /nfs/dbraw/zinc/79/06/58/328790658.db2.gz MWFIJOBBTSAHLE-GUYCJALGSA-N 0 1 273.351 3.518 20 0 CHADMN Cc1ccsc1[C@H](CO)N[C@H](C)c1ccsc1 ZINC000358378383 328882941 /nfs/dbraw/zinc/88/29/41/328882941.db2.gz KAKACFZTWPPSLW-PWSUYJOCSA-N 0 1 267.419 3.502 20 0 CHADMN Cc1ccncc1CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000375094233 329000324 /nfs/dbraw/zinc/00/03/24/329000324.db2.gz LUZDRMBAKQAUIJ-CYBMUJFWSA-N 0 1 288.341 3.658 20 0 CHADMN CC[C@@H](NCc1cnc2n1CCCC2)c1ccccc1F ZINC000375273162 329002510 /nfs/dbraw/zinc/00/25/10/329002510.db2.gz XUAKYFJFBAFCCU-MRXNPFEDSA-N 0 1 287.382 3.599 20 0 CHADMN c1csc(-c2nc(CN3CCC[C@@H]3C3CC3)co2)c1 ZINC000377532790 329017860 /nfs/dbraw/zinc/01/78/60/329017860.db2.gz BFACFXNQIYFVNL-CYBMUJFWSA-N 0 1 274.389 3.778 20 0 CHADMN FC(F)(F)c1cccc([C@@H]2CCN(Cc3ccon3)C2)c1 ZINC000378644224 329057829 /nfs/dbraw/zinc/05/78/29/329057829.db2.gz BWLBJHPJVHWREB-GFCCVEGCSA-N 0 1 296.292 3.683 20 0 CHADMN CSCCCSCC[N@@H+](C)Cc1ccccc1 ZINC000193616722 329059876 /nfs/dbraw/zinc/05/98/76/329059876.db2.gz CRKHREITKDHXLJ-UHFFFAOYSA-N 0 1 269.479 3.605 20 0 CHADMN C[C@H](SCc1n[nH]c(C2CC2)n1)c1cc(F)ccc1F ZINC000193620215 329060352 /nfs/dbraw/zinc/06/03/52/329060352.db2.gz ANXSKDHYGDRUGE-QMMMGPOBSA-N 0 1 295.358 3.955 20 0 CHADMN OCCCCN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000170871479 329068401 /nfs/dbraw/zinc/06/84/01/329068401.db2.gz OEGZCZNBZBZRPG-AWEZNQCLSA-N 0 1 288.218 3.903 20 0 CHADMN C[C@@H](N[C@H]1CN(C)Cc2ccccc21)c1ccsc1 ZINC000360058535 329070619 /nfs/dbraw/zinc/07/06/19/329070619.db2.gz MBSITEIYHFJKKR-WBMJQRKESA-N 0 1 272.417 3.585 20 0 CHADMN COc1cccc(CN(C)[C@H](C)c2ccc(C)cc2)n1 ZINC000171859509 329080584 /nfs/dbraw/zinc/08/05/84/329080584.db2.gz BYPYLUITPLMZNF-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000583705066 329086416 /nfs/dbraw/zinc/08/64/16/329086416.db2.gz AQDXLFWZJMEXFI-CQSZACIVSA-N 0 1 279.355 3.534 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000583705065 329086520 /nfs/dbraw/zinc/08/65/20/329086520.db2.gz AQDXLFWZJMEXFI-AWEZNQCLSA-N 0 1 279.355 3.534 20 0 CHADMN C[C@H]1CC[N@@H+](CC2(CC(=O)[O-])CC2)CC12CCCCC2 ZINC000582551929 329106402 /nfs/dbraw/zinc/10/64/02/329106402.db2.gz SCFBHRYAUKCODC-AWEZNQCLSA-N 0 1 279.424 3.534 20 0 CHADMN C[C@@]1(c2ccccc2)CN(C[C@@H]2CCCC2(F)F)CCO1 ZINC000582587436 329112787 /nfs/dbraw/zinc/11/27/87/329112787.db2.gz QHAAWFKKKOXGRR-HOTGVXAUSA-N 0 1 295.373 3.669 20 0 CHADMN C[C@]1(c2ccccc2)CN(C[C@@H]2CCCC2(F)F)CCO1 ZINC000582587439 329112843 /nfs/dbraw/zinc/11/28/43/329112843.db2.gz QHAAWFKKKOXGRR-JKSUJKDBSA-N 0 1 295.373 3.669 20 0 CHADMN c1cn2cc(CN3CCC4(C3)CCCCC4)nc2s1 ZINC000172944412 329141021 /nfs/dbraw/zinc/14/10/21/329141021.db2.gz KTQXCSOJXQHCDM-UHFFFAOYSA-N 0 1 275.421 3.552 20 0 CHADMN CCn1ccnc1CN1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000172942638 329141070 /nfs/dbraw/zinc/14/10/70/329141070.db2.gz LQDSDCSCMUIFNW-NVXWUHKLSA-N 0 1 283.419 3.529 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2F)N(Cc2ccccn2)C1 ZINC000174041771 329153578 /nfs/dbraw/zinc/15/35/78/329153578.db2.gz STKOSUSAKXWLBR-CXAGYDPISA-N 0 1 270.351 3.804 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2nc(-c3ccsc3)no2)C1 ZINC000174197985 329155394 /nfs/dbraw/zinc/15/53/94/329155394.db2.gz IIAMSJBUJPJNES-HNNXBMFYSA-N 0 1 291.420 3.810 20 0 CHADMN Clc1cccc(CN2CCC3(CCCC3)C2)n1 ZINC000174269286 329156010 /nfs/dbraw/zinc/15/60/10/329156010.db2.gz YVNOHGKDJZKIDN-UHFFFAOYSA-N 0 1 250.773 3.501 20 0 CHADMN CC(C)c1nc(CN2C[C@@H](C)CC[C@H]2C)cs1 ZINC000174476361 329159248 /nfs/dbraw/zinc/15/92/48/329159248.db2.gz POHLKJTYRAFGLV-NWDGAFQWSA-N 0 1 252.427 3.887 20 0 CHADMN C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccncc1Cl ZINC000174816892 329161736 /nfs/dbraw/zinc/16/17/36/329161736.db2.gz DKDAHQLYQWKROD-SMDDNHRTSA-N 0 1 252.789 3.746 20 0 CHADMN CCc1nnc(CN2CC[C@H](c3ccccc3)[C@H](CC)C2)o1 ZINC000174887794 329164337 /nfs/dbraw/zinc/16/43/37/329164337.db2.gz FCYWJVHXSBONKB-ZBFHGGJFSA-N 0 1 299.418 3.648 20 0 CHADMN CC(C)c1cc(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)n[nH]1 ZINC000176535942 329176714 /nfs/dbraw/zinc/17/67/14/329176714.db2.gz SGMVLBXGLWJHHW-HIFRSBDPSA-N 0 1 297.402 3.551 20 0 CHADMN CCc1ccc([C@@H]2CCCCCN2Cc2cncn2C)o1 ZINC000177123361 329181081 /nfs/dbraw/zinc/18/10/81/329181081.db2.gz IUCYQGVMLITLTO-INIZCTEOSA-N 0 1 287.407 3.693 20 0 CHADMN c1ccc2oc(CN3CCS[C@H]4CCCC[C@@H]43)nc2c1 ZINC000177189894 329181763 /nfs/dbraw/zinc/18/17/63/329181763.db2.gz LHHIYAZGHQCSGF-ZFWWWQNUSA-N 0 1 288.416 3.688 20 0 CHADMN COc1ccc(CN(C)C/C=C/c2ccccc2)cc1O ZINC000177223845 329182279 /nfs/dbraw/zinc/18/22/79/329182279.db2.gz UNSQVJQLVKXIQF-RMKNXTFCSA-N 0 1 283.371 3.546 20 0 CHADMN Cc1cc2c(cc1C)[C@H](NCc1ccoc1)CCCO2 ZINC000178475760 329197615 /nfs/dbraw/zinc/19/76/15/329197615.db2.gz CSCNXROLLORTLC-MRXNPFEDSA-N 0 1 271.360 3.900 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1Cc1nc(C(C)C)no1 ZINC000178555810 329198371 /nfs/dbraw/zinc/19/83/71/329198371.db2.gz MSKHUCWVWUZUKT-STQMWFEESA-N 0 1 265.401 3.594 20 0 CHADMN CN(Cc1cc2ccccc2o1)Cc1cnn2ccccc12 ZINC000179949496 329213879 /nfs/dbraw/zinc/21/38/79/329213879.db2.gz GYPZVMDREWJMLB-UHFFFAOYSA-N 0 1 291.354 3.713 20 0 CHADMN C[C@H](N[C@H]1CCCOc2cc(F)ccc21)c1ccoc1 ZINC000179961992 329214107 /nfs/dbraw/zinc/21/41/07/329214107.db2.gz MIHKTIXMNRTIDH-NHYWBVRUSA-N 0 1 275.323 3.983 20 0 CHADMN Cc1cnc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)s1 ZINC000180495612 329219807 /nfs/dbraw/zinc/21/98/07/329219807.db2.gz VNDPXWMOBVYZQP-HNNXBMFYSA-N 0 1 262.422 3.774 20 0 CHADMN Cc1cnc(CN2CCC[C@@]3(CC=CCC3)C2)s1 ZINC000180495612 329219809 /nfs/dbraw/zinc/21/98/09/329219809.db2.gz VNDPXWMOBVYZQP-HNNXBMFYSA-N 0 1 262.422 3.774 20 0 CHADMN C[C@@H](c1cnn(C)c1)N(C)Cc1ccccc1C(F)(F)F ZINC000180980968 329224684 /nfs/dbraw/zinc/22/46/84/329224684.db2.gz DTSKIBPLVVEZOU-NSHDSACASA-N 0 1 297.324 3.632 20 0 CHADMN Cc1cncc(CN[C@@H](CC(C)C)c2ccccn2)c1 ZINC000181839527 329237658 /nfs/dbraw/zinc/23/76/58/329237658.db2.gz DMVLUKAMEZOKGG-KRWDZBQOSA-N 0 1 269.392 3.662 20 0 CHADMN Cc1cncc(CN[C@H](C)c2ccc3ccccc3n2)c1 ZINC000181834605 329237765 /nfs/dbraw/zinc/23/77/65/329237765.db2.gz XISOBCVYNFVBLM-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN CCO[C@@H]1C[C@H](NCc2nc(C(C)C)cs2)C12CCC2 ZINC000181910721 329238149 /nfs/dbraw/zinc/23/81/49/329238149.db2.gz HCFKHLASEVWAMU-UONOGXRCSA-N 0 1 294.464 3.704 20 0 CHADMN Cc1nc(CN(C)CC2CCCCC2)nc2ccccc12 ZINC000532900847 329245908 /nfs/dbraw/zinc/24/59/08/329245908.db2.gz SSCSCOOEOCLKQN-UHFFFAOYSA-N 0 1 283.419 3.950 20 0 CHADMN Cn1ccnc1[C@H](NCc1ccc2ccccc2c1)C1CC1 ZINC000183258196 329248831 /nfs/dbraw/zinc/24/88/31/329248831.db2.gz DYSWOPVPASLGIS-GOSISDBHSA-N 0 1 291.398 3.814 20 0 CHADMN CC(C)COc1ccc(CN(C)Cc2ccncc2)cc1 ZINC000183748885 329249946 /nfs/dbraw/zinc/24/99/46/329249946.db2.gz FLHSWDFGTNLDRS-UHFFFAOYSA-N 0 1 284.403 3.748 20 0 CHADMN CCCC[C@H]1CCC[C@H]1NCc1nnc(C(C)C)o1 ZINC000184699527 329262119 /nfs/dbraw/zinc/26/21/19/329262119.db2.gz LZJUNLQQOMOLQG-QWHCGFSZSA-N 0 1 265.401 3.642 20 0 CHADMN Cc1ccccc1CNCc1nc2ccccc2n1C1CC1 ZINC000184781177 329264250 /nfs/dbraw/zinc/26/42/50/329264250.db2.gz UPSYSMCSWVMYOE-UHFFFAOYSA-N 0 1 291.398 3.969 20 0 CHADMN FC(F)c1ccc(CNCc2cnn3ccccc23)cc1 ZINC000185180534 329267055 /nfs/dbraw/zinc/26/70/55/329267055.db2.gz BWZNFXSCEKFGMJ-UHFFFAOYSA-N 0 1 287.313 3.562 20 0 CHADMN CC[C@H](C)[C@H](C)[N@@H+](Cc1ccc(C(=O)[O-])s1)C1CC1 ZINC000582909877 329287040 /nfs/dbraw/zinc/28/70/40/329287040.db2.gz YUGJRGDLLVATGA-QWRGUYRKSA-N 0 1 281.421 3.845 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])oc1C ZINC000582910865 329287338 /nfs/dbraw/zinc/28/73/38/329287338.db2.gz WUJOCGOFLXVMLC-BXUZGUMPSA-N 0 1 279.380 3.687 20 0 CHADMN O=C([O-])CCCCC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000582970681 329296295 /nfs/dbraw/zinc/29/62/95/329296295.db2.gz QZMZBYVAORJYFG-KRWDZBQOSA-N 0 1 287.403 3.783 20 0 CHADMN CC[C@@H](NCc1ccc2c(n1)CCC2)c1ccc(OC)cc1 ZINC000583129421 329316560 /nfs/dbraw/zinc/31/65/60/329316560.db2.gz GGDCKRVQBWNMAN-GOSISDBHSA-N 0 1 296.414 3.820 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(O)cc(F)c2)s1 ZINC000186212318 329339777 /nfs/dbraw/zinc/33/97/77/329339777.db2.gz UTRJYVRQNOUJBZ-UHFFFAOYSA-N 0 1 265.353 3.533 20 0 CHADMN CCCc1nc(CN[C@H]2CCCO[C@H]2CC(C)C)cs1 ZINC000186315519 329340816 /nfs/dbraw/zinc/34/08/16/329340816.db2.gz SVBQFZDFCOLTQT-GJZGRUSLSA-N 0 1 296.480 3.779 20 0 CHADMN c1ccc(CCCCSc2nc(C3CC3)n[nH]2)cc1 ZINC000186553937 329345417 /nfs/dbraw/zinc/34/54/17/329345417.db2.gz CDWOTEYPYXDMHG-UHFFFAOYSA-N 0 1 273.405 3.797 20 0 CHADMN c1ccc(CCCCSc2n[nH]c(C3CC3)n2)cc1 ZINC000186553937 329345419 /nfs/dbraw/zinc/34/54/19/329345419.db2.gz CDWOTEYPYXDMHG-UHFFFAOYSA-N 0 1 273.405 3.797 20 0 CHADMN Fc1cc(CN2CCCC3(CC3)C2)ccc1OC(F)F ZINC000186609801 329346339 /nfs/dbraw/zinc/34/63/39/329346339.db2.gz QLSWPUHYCQJLLG-UHFFFAOYSA-N 0 1 285.309 3.803 20 0 CHADMN CCOCCN(C)[C@@H](C)c1cccc(Cl)c1F ZINC000187398403 329357169 /nfs/dbraw/zinc/35/71/69/329357169.db2.gz QOCUVIYVFSDQBS-JTQLQIEISA-N 0 1 259.752 3.508 20 0 CHADMN Clc1ccc(Cl)c(NCc2n[nH]c(C3CC3)n2)c1 ZINC000187398850 329357183 /nfs/dbraw/zinc/35/71/83/329357183.db2.gz HBVNZVJXWLUQFA-UHFFFAOYSA-N 0 1 283.162 3.601 20 0 CHADMN Cc1ncc(CNCc2ccc(Cl)cc2C)s1 ZINC000231746958 329378684 /nfs/dbraw/zinc/37/86/84/329378684.db2.gz RQHQDZVTKXJNEJ-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN C[C@@H]1CN(Cc2cc3ccc(F)cc3[nH]2)C[C@H](C)S1 ZINC000583239094 329391179 /nfs/dbraw/zinc/39/11/79/329391179.db2.gz HJZIHOZEBQJCRP-PHIMTYICSA-N 0 1 278.396 3.633 20 0 CHADMN Clc1ccc([C@@H](NCc2ccno2)C2CC2)cc1 ZINC000219390378 329497775 /nfs/dbraw/zinc/49/77/75/329497775.db2.gz PUYJJGWJFQNEHK-AWEZNQCLSA-N 0 1 262.740 3.569 20 0 CHADMN CC[C@@H](NCc1ccno1)c1ccc(Cl)cc1 ZINC000219792788 329504000 /nfs/dbraw/zinc/50/40/00/329504000.db2.gz OEOYZSKEQILDNV-CYBMUJFWSA-N 0 1 250.729 3.569 20 0 CHADMN Oc1ccc(Br)c(CN2CCCCCC2)c1 ZINC000132473482 329646871 /nfs/dbraw/zinc/64/68/71/329646871.db2.gz RIXHRSMPBWPPAA-UHFFFAOYSA-N 0 1 284.197 3.531 20 0 CHADMN CCCCOc1cccc(NC(=O)[C@@H](N)c2ccccc2)c1 ZINC000236715482 329690118 /nfs/dbraw/zinc/69/01/18/329690118.db2.gz OHMLJUHMPXALJQ-KRWDZBQOSA-N 0 1 298.386 3.504 20 0 CHADMN C[C@H](NC[C@H]1C[C@@H](O)C1)c1c(Cl)ccc(F)c1Cl ZINC000420956366 329791289 /nfs/dbraw/zinc/79/12/89/329791289.db2.gz ZKENLVFKJZAPQI-XHNCKOQMSA-N 0 1 292.181 3.554 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@@H](CC)O1 ZINC000420955989 329791377 /nfs/dbraw/zinc/79/13/77/329791377.db2.gz MLNDTMRFMXTJBQ-IAGOWNOFSA-N 0 1 284.403 3.624 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1cccc(C2CC2)c1 ZINC000421386400 329819027 /nfs/dbraw/zinc/81/90/27/329819027.db2.gz LRBBBXQGRQWDJI-CYBMUJFWSA-N 0 1 282.387 3.818 20 0 CHADMN C/C(=C/c1ccccc1)CNC(C)(C)c1cn(C(C)C)nn1 ZINC000421409049 329822341 /nfs/dbraw/zinc/82/23/41/329822341.db2.gz ZSSOYSMLGFOVGA-PTNGSMBKSA-N 0 1 298.434 3.787 20 0 CHADMN Cc1ncsc1CN[C@@H]1CCSc2ccccc21 ZINC000071212382 329856386 /nfs/dbraw/zinc/85/63/86/329856386.db2.gz GUKFINUTMWFHEN-GFCCVEGCSA-N 0 1 276.430 3.778 20 0 CHADMN C[C@@H](NC[C@@H]1CC[C@@H](C)O1)c1ncc(-c2ccccc2)o1 ZINC000249161501 329905261 /nfs/dbraw/zinc/90/52/61/329905261.db2.gz ZWAREVDEJPTZHN-NFAWXSAZSA-N 0 1 286.375 3.560 20 0 CHADMN C[C@@H]1CC[C@H](NCc2noc(-c3cccs3)n2)[C@H](C)C1 ZINC000571827099 329923664 /nfs/dbraw/zinc/92/36/64/329923664.db2.gz UQZDOLNGOPTJMI-UTUOFQBUSA-N 0 1 291.420 3.712 20 0 CHADMN OC[C@H](N[C@H]1C=CCCCCC1)c1cccc(Cl)c1F ZINC000572166280 329951332 /nfs/dbraw/zinc/95/13/32/329951332.db2.gz IZAYSDRJNQHUIK-WFASDCNBSA-N 0 1 297.801 3.991 20 0 CHADMN Cc1ccccc1Cc1noc(CN[C@@H]2CCCC[C@H]2C)n1 ZINC000162393809 330016171 /nfs/dbraw/zinc/01/61/71/330016171.db2.gz ATVGSLYOTCZLLX-GDBMZVCRSA-N 0 1 299.418 3.637 20 0 CHADMN CCC1(CC)CCC[N@@H+](CCCCC(=O)[O-])CC1 ZINC000263578906 330059857 /nfs/dbraw/zinc/05/98/57/330059857.db2.gz TYKAFRTULUVAEV-UHFFFAOYSA-N 0 1 255.402 3.534 20 0 CHADMN C1=C[C@@H]([N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)CCCCC1 ZINC000572382879 330033190 /nfs/dbraw/zinc/03/31/90/330033190.db2.gz JVVSTERKXMFTOR-LSDHHAIUSA-N 0 1 287.407 3.625 20 0 CHADMN CC(C)C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000262945985 330037448 /nfs/dbraw/zinc/03/74/48/330037448.db2.gz AESXYXPBFMFSAU-CQSZACIVSA-N 0 1 275.392 3.643 20 0 CHADMN C[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CCCCCCC1 ZINC000262949013 330037499 /nfs/dbraw/zinc/03/74/99/330037499.db2.gz APHUFRAJJOAUFZ-UHFFFAOYSA-N 0 1 275.392 3.930 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](CCCc1cccc2ccccc21)C1CC1 ZINC000263198103 330048772 /nfs/dbraw/zinc/04/87/72/330048772.db2.gz WTZKFOQFYCQOKL-CQSZACIVSA-N 0 1 297.398 3.710 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](CC1CCC(C(C)(C)C)CC1)C1CC1 ZINC000263315426 330052275 /nfs/dbraw/zinc/05/22/75/330052275.db2.gz HNVSFWDZUVURCJ-IYXRBSQSSA-N 0 1 281.440 3.776 20 0 CHADMN CCCC1CCC(C[N@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)CC1 ZINC000263350377 330052914 /nfs/dbraw/zinc/05/29/14/330052914.db2.gz PQGYDVCJUYUCOW-SLTXQBBLSA-N 0 1 281.440 3.778 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263375647 330053169 /nfs/dbraw/zinc/05/31/69/330053169.db2.gz BTNMHNBPXLUJSU-RDTXWAMCSA-N 0 1 295.382 3.763 20 0 CHADMN CC1=C(c2ccco2)C[N@@H+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263416787 330054725 /nfs/dbraw/zinc/05/47/25/330054725.db2.gz NNKCEFUWXQJMGH-UHFFFAOYSA-N 0 1 297.354 3.657 20 0 CHADMN Cc1ccc(-c2ccc(C[N@H+](C)[C@H](C)C(=O)[O-])s2)cc1 ZINC000263427593 330055287 /nfs/dbraw/zinc/05/52/87/330055287.db2.gz RBLAOMGXBUHLEH-GFCCVEGCSA-N 0 1 289.400 3.628 20 0 CHADMN C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)CCC(=O)[O-] ZINC000263426923 330055306 /nfs/dbraw/zinc/05/53/06/330055306.db2.gz QXKGCLFVRTURMM-AWEZNQCLSA-N 0 1 291.435 3.569 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000263441093 330056049 /nfs/dbraw/zinc/05/60/49/330056049.db2.gz DMMDZHNUCIAEMX-SFHVURJKSA-N 0 1 285.387 3.707 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCCC23CCCCC3)c1 ZINC000263445631 330056253 /nfs/dbraw/zinc/05/62/53/330056253.db2.gz FUIFPVHDXSXYNY-UHFFFAOYSA-N 0 1 273.376 3.684 20 0 CHADMN CC(C)C[N@@H+](Cc1cccc(C(=O)[O-])c1)CC(C)(C)C ZINC000263470196 330057118 /nfs/dbraw/zinc/05/71/18/330057118.db2.gz LDSYPZRBFCJRTB-UHFFFAOYSA-N 0 1 277.408 3.889 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000263498441 330057847 /nfs/dbraw/zinc/05/78/47/330057847.db2.gz UORBQMKGTZMOHP-GFCCVEGCSA-N 0 1 285.343 3.703 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000263573261 330059707 /nfs/dbraw/zinc/05/97/07/330059707.db2.gz MDDDHXGRJXVOFD-HNNXBMFYSA-N 0 1 299.345 3.513 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](CC2CCCCC2)C2CC2)cc1 ZINC000263574684 330059711 /nfs/dbraw/zinc/05/97/11/330059711.db2.gz NVQOYKZMUGHCNU-UHFFFAOYSA-N 0 1 287.403 3.930 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263581138 330059806 /nfs/dbraw/zinc/05/98/06/330059806.db2.gz WUBRDTQGRBVYKH-KDOFPFPSSA-N 0 1 295.382 3.763 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263581140 330059863 /nfs/dbraw/zinc/05/98/63/330059863.db2.gz WUBRDTQGRBVYKH-RDTXWAMCSA-N 0 1 295.382 3.763 20 0 CHADMN C[C@@H](NCc1cccc(N(C)C)c1)c1ccncc1Cl ZINC000421825564 330083339 /nfs/dbraw/zinc/08/33/39/330083339.db2.gz OEVZVTARSKHTSQ-GFCCVEGCSA-N 0 1 289.810 3.652 20 0 CHADMN COc1cc(CN[C@H](C)c2ccncc2Cl)ccc1C ZINC000421825939 330083394 /nfs/dbraw/zinc/08/33/94/330083394.db2.gz QCBADEDKHGYOAB-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@H](NCCOc1cccc(F)c1)c1ccncc1Cl ZINC000421825611 330083528 /nfs/dbraw/zinc/08/35/28/330083528.db2.gz OMRQMPSEVDGMQY-NSHDSACASA-N 0 1 294.757 3.604 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2ccncc2Cl)cc1 ZINC000421820561 330086561 /nfs/dbraw/zinc/08/65/61/330086561.db2.gz MVNZZRZBPYDWTO-LBPRGKRZSA-N 0 1 290.794 3.732 20 0 CHADMN Cc1cc([C@H](C)NCc2cc(C)nc(C)c2)oc1C ZINC000421851790 330087836 /nfs/dbraw/zinc/08/78/36/330087836.db2.gz GKWIGIMYOSJTOL-ZDUSSCGKSA-N 0 1 258.365 3.759 20 0 CHADMN Cc1cscc1CN[C@H](C)c1ccncc1Cl ZINC000421858665 330089765 /nfs/dbraw/zinc/08/97/65/330089765.db2.gz RTANCISIKJNLDB-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cnn(C3CCCC3)c2)cc(C)n1 ZINC000421862140 330098159 /nfs/dbraw/zinc/09/81/59/330098159.db2.gz VWWKSODLBAWPIQ-HNNXBMFYSA-N 0 1 298.434 3.861 20 0 CHADMN Cc1cc(CN[C@H](C)c2cnn(C3CCCC3)c2)cc(C)n1 ZINC000421862152 330098267 /nfs/dbraw/zinc/09/82/67/330098267.db2.gz VWWKSODLBAWPIQ-OAHLLOKOSA-N 0 1 298.434 3.861 20 0 CHADMN CCc1ccc([C@H](C)NCc2cc(C)nc(C)c2)o1 ZINC000421884032 330102741 /nfs/dbraw/zinc/10/27/41/330102741.db2.gz QPOIJSLLCFTPRR-ZDUSSCGKSA-N 0 1 258.365 3.705 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CC[C@H](C2CCCC2)C1 ZINC000421945476 330111635 /nfs/dbraw/zinc/11/16/35/330111635.db2.gz GXXWNNGVVLAWSA-ZDUSSCGKSA-N 0 1 293.794 3.698 20 0 CHADMN Cc1cccc2c1CN(Cc1c[nH]nc1C(C)(C)C)CC2 ZINC000433049510 330135046 /nfs/dbraw/zinc/13/50/46/330135046.db2.gz VIQJAHMUYPSZQC-UHFFFAOYSA-N 0 1 283.419 3.574 20 0 CHADMN C[C@H](N[C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccncc1 ZINC000423421220 330197938 /nfs/dbraw/zinc/19/79/38/330197938.db2.gz AUOPNNJKZRAYLY-BLLLJJGKSA-N 0 1 297.402 3.617 20 0 CHADMN C[C@H](N[C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccccn1 ZINC000423444892 330201986 /nfs/dbraw/zinc/20/19/86/330201986.db2.gz RNVBFIJGIXPRLW-LRDDRELGSA-N 0 1 297.402 3.617 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cc(C)cc(N)c2)o1 ZINC000423477590 330205978 /nfs/dbraw/zinc/20/59/78/330205978.db2.gz LSZLZHGUHJTMAS-GFCCVEGCSA-N 0 1 258.365 3.583 20 0 CHADMN Cc1cc(OCc2cncn2Cc2ccccc2)cc(C)n1 ZINC000527112565 330221414 /nfs/dbraw/zinc/22/14/14/330221414.db2.gz ZRQUZJUJUSSTCR-UHFFFAOYSA-N 0 1 293.370 3.522 20 0 CHADMN C[C@@H]1CCC[C@@H](CN[C@@H](c2nccn2C)c2ccccc2)C1 ZINC000527116049 330222861 /nfs/dbraw/zinc/22/28/61/330222861.db2.gz JXUXBTRSDPNVIO-JFIYKMOQSA-N 0 1 297.446 3.925 20 0 CHADMN C[C@@H](N[C@@H]1COC(C)(C)C1)c1ccccc1Br ZINC000396842907 330227248 /nfs/dbraw/zinc/22/72/48/330227248.db2.gz IROSVNPTYZHRPB-MNOVXSKESA-N 0 1 298.224 3.667 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000536830824 330228930 /nfs/dbraw/zinc/22/89/30/330228930.db2.gz FBGYXQNASUKCSI-KGLIPLIRSA-N 0 1 286.423 3.957 20 0 CHADMN COc1ccccc1[C@H](C)NCc1cnc(C)cc1C ZINC000396976914 330232849 /nfs/dbraw/zinc/23/28/49/330232849.db2.gz KXESTYUAFSOFBM-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN C[C@@H](C[NH2+]Cc1cccc([O-])c1Cl)CC(F)(F)F ZINC000397020265 330235992 /nfs/dbraw/zinc/23/59/92/330235992.db2.gz RBGKDUFNVXLFCX-MRVPVSSYSA-N 0 1 281.705 3.724 20 0 CHADMN COc1ccc([C@H](C)NCc2cnc(C)cc2C)c(F)c1 ZINC000397053675 330237393 /nfs/dbraw/zinc/23/73/93/330237393.db2.gz LWCJVHWSPQOLGI-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc3c(c1)COC3)CO2 ZINC000536854668 330249939 /nfs/dbraw/zinc/24/99/39/330249939.db2.gz YBZWEEVEKNMKRW-UGSOOPFHSA-N 0 1 295.382 3.810 20 0 CHADMN COC(=O)C(C)(C)CC[N@@H+](Cc1ccccc1C)C1CC1 ZINC000527509400 330254807 /nfs/dbraw/zinc/25/48/07/330254807.db2.gz YZNBSWMKBYJBPC-UHFFFAOYSA-N 0 1 289.419 3.549 20 0 CHADMN Cc1ccc(-c2noc(CN3CCCC(C)(C)C3)n2)cc1 ZINC000527505379 330255033 /nfs/dbraw/zinc/25/50/33/330255033.db2.gz OHCIJRVEUOZYKV-UHFFFAOYSA-N 0 1 285.391 3.667 20 0 CHADMN COc1cc(CNCC2(F)CC2)ccc1OC1CCCC1 ZINC000527513741 330255826 /nfs/dbraw/zinc/25/58/26/330255826.db2.gz LRFQIOYGFYAGFN-UHFFFAOYSA-N 0 1 293.382 3.608 20 0 CHADMN Cc1nc2c(s1)[C@H](N(C)Cc1ccnc(C)c1)CCC2 ZINC000527538803 330260605 /nfs/dbraw/zinc/26/06/05/330260605.db2.gz MTQWEWLXYRVMAC-OAHLLOKOSA-N 0 1 287.432 3.664 20 0 CHADMN Cc1cc(CNC(C)(C)c2ccc(F)c(F)c2)ccn1 ZINC000527538149 330260679 /nfs/dbraw/zinc/26/06/79/330260679.db2.gz HWOBPZHWEAFEHY-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN CC[C@H](c1ccccc1OC)N(C)Cc1ccnc(C)c1 ZINC000527539074 330260719 /nfs/dbraw/zinc/26/07/19/330260719.db2.gz IPBBFHSRWMHYPE-QGZVFWFLSA-N 0 1 284.403 3.982 20 0 CHADMN Cc1cc(CN2CC[C@@](F)(c3ccccc3C)C2)ccn1 ZINC000527540647 330261134 /nfs/dbraw/zinc/26/11/34/330261134.db2.gz SDTVXYCMEGFMTC-SFHVURJKSA-N 0 1 284.378 3.769 20 0 CHADMN CC(C)Oc1ccc(CNCc2ccncc2Cl)cc1 ZINC000527635288 330267510 /nfs/dbraw/zinc/26/75/10/330267510.db2.gz AJJGXPLBBIUGMA-UHFFFAOYSA-N 0 1 290.794 3.812 20 0 CHADMN CC(C)N(C)Cc1ccc(Br)c(F)c1F ZINC000528401819 330270356 /nfs/dbraw/zinc/27/03/56/330270356.db2.gz CSMIBOBSDBNJRO-UHFFFAOYSA-N 0 1 278.140 3.568 20 0 CHADMN Clc1cnccc1CNCc1cc2c(s1)CCCC2 ZINC000527648275 330271957 /nfs/dbraw/zinc/27/19/57/330271957.db2.gz HPMLGWPAHJFUHX-UHFFFAOYSA-N 0 1 292.835 3.965 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@@H]1NCc1ccncc1Cl ZINC000527659393 330273707 /nfs/dbraw/zinc/27/37/07/330273707.db2.gz REIFGQZOESKVCE-BDJLRTHQSA-N 0 1 272.779 3.758 20 0 CHADMN Cc1cc(CNCc2ccsc2C(F)(F)F)ccn1 ZINC000527711797 330275829 /nfs/dbraw/zinc/27/58/29/330275829.db2.gz HEQZKLKZRZKARP-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN Cc1ccc(CCNCc2c(F)ccc(F)c2Cl)nc1 ZINC000527716379 330276804 /nfs/dbraw/zinc/27/68/04/330276804.db2.gz OYROTIZEYMVSBH-UHFFFAOYSA-N 0 1 296.748 3.654 20 0 CHADMN Cc1cc(F)c(CN[C@H]2CCCC(F)(F)C2)c(F)c1 ZINC000424139666 330279979 /nfs/dbraw/zinc/27/99/79/330279979.db2.gz DRKNKJJATBUOAB-JTQLQIEISA-N 0 1 275.289 3.941 20 0 CHADMN Cc1ccc(CNCc2cccnc2C)c(Cl)c1 ZINC000527793753 330283647 /nfs/dbraw/zinc/28/36/47/330283647.db2.gz OFIGUSLBSJBBLA-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN CCn1ccnc1CN[C@H](c1cccc(C)c1)C(C)C ZINC000527814197 330284969 /nfs/dbraw/zinc/28/49/69/330284969.db2.gz PQLPMJSJDIJEAU-KRWDZBQOSA-N 0 1 271.408 3.698 20 0 CHADMN CC[C@@H](NCc1ccnc(C)n1)c1cc(C)ccc1C ZINC000527824323 330286530 /nfs/dbraw/zinc/28/65/30/330286530.db2.gz YBYGQBOMQXEHAQ-QGZVFWFLSA-N 0 1 269.392 3.643 20 0 CHADMN C[C@@H](NCCc1ccco1)c1cc(-c2ccccc2)n(C)n1 ZINC000527850684 330288268 /nfs/dbraw/zinc/28/82/68/330288268.db2.gz YBFQZFYPKJXXSE-CQSZACIVSA-N 0 1 295.386 3.573 20 0 CHADMN CCc1ccc([C@@H](CC(C)C)NCc2cc[nH]n2)cc1 ZINC000527858000 330288938 /nfs/dbraw/zinc/28/89/38/330288938.db2.gz GQCRKWBBFZAREH-QGZVFWFLSA-N 0 1 271.408 3.849 20 0 CHADMN Cc1cc(CN[C@H](c2cccc(C)c2)C(C)C)on1 ZINC000527858206 330289095 /nfs/dbraw/zinc/28/90/95/330289095.db2.gz IFOIRNFFVQFNDN-INIZCTEOSA-N 0 1 258.365 3.778 20 0 CHADMN CC[C@@H](CCc1ccccc1)N[C@@H](C)c1csnn1 ZINC000527907263 330290448 /nfs/dbraw/zinc/29/04/48/330290448.db2.gz FZRCQTJQDOPTQC-JSGCOSHPSA-N 0 1 275.421 3.600 20 0 CHADMN C[C@@H](N[C@H]1CC1(C)C)c1cc(-c2ccccc2)n(C)n1 ZINC000527910991 330290702 /nfs/dbraw/zinc/29/07/02/330290702.db2.gz WJSDWZRVFLZZGU-WBMJQRKESA-N 0 1 269.392 3.536 20 0 CHADMN C[C@H](N[C@@H]1CCc2cc(F)c(Cl)cc21)c1cn[nH]c1 ZINC000527874548 330291041 /nfs/dbraw/zinc/29/10/41/330291041.db2.gz FBCDTVPVCGAZPQ-RMLUDKJBSA-N 0 1 279.746 3.540 20 0 CHADMN Cc1cncc(CN[C@H]2CCc3cc(F)c(Cl)cc32)c1 ZINC000527875316 330291158 /nfs/dbraw/zinc/29/11/58/330291158.db2.gz BSMQOJNRUOWUGT-INIZCTEOSA-N 0 1 290.769 3.960 20 0 CHADMN CC[C@@H](N[C@H]1CCn2ccnc21)c1cc(C)ccc1C ZINC000527901226 330293427 /nfs/dbraw/zinc/29/34/27/330293427.db2.gz FPAVEHBHNXEMRX-CVEARBPZSA-N 0 1 269.392 3.686 20 0 CHADMN Cc1cccc([C@@H](N[C@H](C)c2nccn2C)C(C)C)c1 ZINC000527914989 330295094 /nfs/dbraw/zinc/29/50/94/330295094.db2.gz UOGVUWNXDHZGOF-ZBFHGGJFSA-N 0 1 271.408 3.776 20 0 CHADMN CC[C@H](NCc1ccccc1CC(C)C)c1ccn(C)n1 ZINC000527918811 330295439 /nfs/dbraw/zinc/29/54/39/330295439.db2.gz HRQMQHRRQUTWQP-KRWDZBQOSA-N 0 1 285.435 3.860 20 0 CHADMN Cc1[nH]ncc1[C@@H](C)Nc1cccc(C2CCOCC2)c1 ZINC000527997557 330299555 /nfs/dbraw/zinc/29/95/55/330299555.db2.gz YFHUJHDQMCAYHZ-GFCCVEGCSA-N 0 1 285.391 3.785 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc3cn(C)nc3c2)c(C)o1 ZINC000527964764 330301141 /nfs/dbraw/zinc/30/11/41/330301141.db2.gz RGUVFLXHAYSSNY-LBPRGKRZSA-N 0 1 283.375 3.634 20 0 CHADMN C[C@H](N[C@H](c1ccccn1)C1CCC1)c1cccc(O)c1 ZINC000527967754 330301228 /nfs/dbraw/zinc/30/12/28/330301228.db2.gz MXVOTCKLZFNDNO-UGSOOPFHSA-N 0 1 282.387 3.979 20 0 CHADMN CCO[C@H]1C[C@@H](N[C@@H](C)c2ncccc2F)C12CCCC2 ZINC000528034632 330302386 /nfs/dbraw/zinc/30/23/86/330302386.db2.gz AAYLMCCJUXQPEE-CFVMTHIKSA-N 0 1 292.398 3.609 20 0 CHADMN C[C@H](N[C@H]1C[C@H](OC(C)(C)C)C1(C)C)c1ncccc1F ZINC000528038240 330303256 /nfs/dbraw/zinc/30/32/56/330303256.db2.gz RMWUOFLOBPDCQZ-UBHSHLNASA-N 0 1 294.414 3.854 20 0 CHADMN Cc1cccc([C@@H](N[C@H](C)c2cnccn2)C(C)C)c1 ZINC000528008489 330303492 /nfs/dbraw/zinc/30/34/92/330303492.db2.gz GRPRBNUJKUFFQC-PBHICJAKSA-N 0 1 269.392 3.833 20 0 CHADMN Cc1cc([C@H](C)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(C)o1 ZINC000528007693 330303526 /nfs/dbraw/zinc/30/35/26/330303526.db2.gz BVDLGUXJSRKSMN-BBRMVZONSA-N 0 1 276.424 3.564 20 0 CHADMN Cc1cccc([C@@H](N[C@@H](C)c2ccncn2)C(C)C)c1 ZINC000528010321 330303923 /nfs/dbraw/zinc/30/39/23/330303923.db2.gz MKRNEIYPSUDSCI-YOEHRIQHSA-N 0 1 269.392 3.833 20 0 CHADMN COc1ccc([C@@H](N[C@@H]2CCCc3occc32)C2CC2)cn1 ZINC000528045426 330305990 /nfs/dbraw/zinc/30/59/90/330305990.db2.gz YSCNNAZWZZTMAC-QAPCUYQASA-N 0 1 298.386 3.802 20 0 CHADMN Cc1nccc(N2CCC(F)(F)C[C@H]2C)c1Cl ZINC000528204932 330313053 /nfs/dbraw/zinc/31/30/53/330313053.db2.gz AKDRBUIDVVEDIC-MRVPVSSYSA-N 0 1 260.715 3.667 20 0 CHADMN CCC(C)(C)C1CCC(NCc2csnn2)CC1 ZINC000036918372 330313651 /nfs/dbraw/zinc/31/36/51/330313651.db2.gz TURWIMCDEFIMAQ-UHFFFAOYSA-N 0 1 267.442 3.623 20 0 CHADMN COc1ccc(OC2CCN(C/C=C(/C)Cl)CC2)cc1 ZINC000528354816 330321765 /nfs/dbraw/zinc/32/17/65/330321765.db2.gz HQXGODAEJICVIL-QPEQYQDCSA-N 0 1 295.810 3.681 20 0 CHADMN CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC(C)(C)C ZINC000532957749 330322967 /nfs/dbraw/zinc/32/29/67/330322967.db2.gz WPHSCPZDCLESEO-MRXNPFEDSA-N 0 1 290.451 3.574 20 0 CHADMN CCN(CC)C(=O)[C@@H](c1ccccc1)N(C)CC(C)(C)C ZINC000532957749 330322968 /nfs/dbraw/zinc/32/29/68/330322968.db2.gz WPHSCPZDCLESEO-MRXNPFEDSA-N 0 1 290.451 3.574 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(Cl)cc2)C2CC2)on1 ZINC000044299517 330327451 /nfs/dbraw/zinc/32/74/51/330327451.db2.gz UMTYSFGHEQUHMZ-HNNXBMFYSA-N 0 1 276.767 3.877 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CCC[C@@H]1C1CCCC1 ZINC000044363381 330329328 /nfs/dbraw/zinc/32/93/28/330329328.db2.gz DFBPQNFLFNZPGQ-CQSZACIVSA-N 0 1 293.794 3.840 20 0 CHADMN CC(C)CCOCCN[C@H](C)c1ccc(F)cc1F ZINC000045093853 330338455 /nfs/dbraw/zinc/33/84/55/330338455.db2.gz QIDWUQOOHUTRLS-GFCCVEGCSA-N 0 1 271.351 3.678 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccn(C)c2)c(Cl)c1 ZINC000424328293 330341597 /nfs/dbraw/zinc/34/15/97/330341597.db2.gz ZQUQEVXIAKJCMN-LLVKDONJSA-N 0 1 278.783 3.538 20 0 CHADMN CSc1ccsc1-c1nc(C2(N)CCCCC2)no1 ZINC000424338994 330343863 /nfs/dbraw/zinc/34/38/63/330343863.db2.gz BTQMFPCRAYSUET-UHFFFAOYSA-N 0 1 295.433 3.638 20 0 CHADMN C[C@H]1CCC[C@@H](Cc2nc(C3(N)CCCCC3)no2)C1 ZINC000424340727 330344057 /nfs/dbraw/zinc/34/40/57/330344057.db2.gz HGJSKWDTMCFRNO-QWHCGFSZSA-N 0 1 277.412 3.557 20 0 CHADMN Cc1ccccc1/C=C/c1nc(C2(N)CCCCC2)no1 ZINC000424343681 330344448 /nfs/dbraw/zinc/34/44/48/330344448.db2.gz KCYJOLZOAQBPPZ-MDZDMXLPSA-N 0 1 283.375 3.667 20 0 CHADMN CC[C@@H](N[C@@H]1CCc2ccccc21)c1nccs1 ZINC000080257692 330345252 /nfs/dbraw/zinc/34/52/52/330345252.db2.gz UCORLHBQCJZJJG-ZIAGYGMSSA-N 0 1 258.390 3.871 20 0 CHADMN CC(C)c1ccc(CC[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1 ZINC000424417052 330350785 /nfs/dbraw/zinc/35/07/85/330350785.db2.gz LNYHRWPCTSWRPX-PBHICJAKSA-N 0 1 289.419 3.538 20 0 CHADMN C[C@H]1CCC[N@@H+](CCC2CCCCCC2)[C@@H]1C(=O)[O-] ZINC000424423291 330351640 /nfs/dbraw/zinc/35/16/40/330351640.db2.gz UVBDRRYUAJSQIQ-ZFWWWQNUSA-N 0 1 267.413 3.532 20 0 CHADMN CC[N@@H+](CC(=O)Nc1ccc(C)c(C)c1)[C@H](C)C(C)C ZINC000533247868 330355262 /nfs/dbraw/zinc/35/52/62/330355262.db2.gz PZPUGINMURFUBP-OAHLLOKOSA-N 0 1 276.424 3.608 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)CCCC(=O)OC(C)(C)C ZINC000533312343 330357184 /nfs/dbraw/zinc/35/71/84/330357184.db2.gz ZEHQVULJRBNQAS-ZDUSSCGKSA-N 0 1 295.398 3.940 20 0 CHADMN C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCC(=O)[O-] ZINC000083662951 330358670 /nfs/dbraw/zinc/35/86/70/330358670.db2.gz RVXYPXNNMCOXGJ-VIFPVBQESA-N 0 1 290.190 3.851 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000212745596 330367194 /nfs/dbraw/zinc/36/71/94/330367194.db2.gz IRXPCAKLJUSCSS-VIFPVBQESA-N 0 1 295.789 3.680 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@H](C)c1ccc(Cl)c(F)c1 ZINC000212745663 330367306 /nfs/dbraw/zinc/36/73/06/330367306.db2.gz IRXPCAKLJUSCSS-SECBINFHSA-N 0 1 295.789 3.680 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000212809530 330367384 /nfs/dbraw/zinc/36/73/84/330367384.db2.gz DEQVHYRPKZHONI-ZBEGNZNMSA-N 0 1 293.769 3.863 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cccc(Cl)c1Cl ZINC000086752404 330370863 /nfs/dbraw/zinc/37/08/63/330370863.db2.gz FWCIWVSTFXCOLL-SECBINFHSA-N 0 1 290.190 3.679 20 0 CHADMN C[C@H](C[N@@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000086807460 330371150 /nfs/dbraw/zinc/37/11/50/330371150.db2.gz MVWNLKDVRPNWJW-BDAKNGLRSA-N 0 1 290.190 3.707 20 0 CHADMN Cn1cccc1[C@@H]1CCCN1Cc1ccccc1F ZINC000057622550 330377133 /nfs/dbraw/zinc/37/71/33/330377133.db2.gz YYBMMLONGXTHDA-INIZCTEOSA-N 0 1 258.340 3.501 20 0 CHADMN CCCCn1cc(CN[C@H](C)c2ccc(F)cc2)c(C)n1 ZINC000537014293 330379775 /nfs/dbraw/zinc/37/97/75/330379775.db2.gz JEPXKJBUDSFTGD-CYBMUJFWSA-N 0 1 289.398 3.982 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)CCC1CCOCC1 ZINC000120368667 330387223 /nfs/dbraw/zinc/38/72/23/330387223.db2.gz PFULAQWQSPBWSA-ZDUSSCGKSA-N 0 1 294.439 3.782 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N(C)CCC1CCOCC1 ZINC000120368667 330387224 /nfs/dbraw/zinc/38/72/24/330387224.db2.gz PFULAQWQSPBWSA-ZDUSSCGKSA-N 0 1 294.439 3.782 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1N(C)Cc1nnc(C(C)C)o1 ZINC000120839500 330392853 /nfs/dbraw/zinc/39/28/53/330392853.db2.gz XEPBANFHJNSLTR-OLZOCXBDSA-N 0 1 265.401 3.594 20 0 CHADMN C[C@@H](NCCOCc1ccc(Cl)cc1)c1nccs1 ZINC000090806188 330396382 /nfs/dbraw/zinc/39/63/82/330396382.db2.gz YDJGXYWTPMNNFK-LLVKDONJSA-N 0 1 296.823 3.664 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1nc2ccccc2s1 ZINC000091099927 330398975 /nfs/dbraw/zinc/39/89/75/330398975.db2.gz XJEJRKDWWQDPOA-NSHDSACASA-N 0 1 280.462 3.870 20 0 CHADMN CC[C@H](CN[C@H](C)c1nccs1)Oc1cccc(F)c1 ZINC000091734756 330402612 /nfs/dbraw/zinc/40/26/12/330402612.db2.gz PLIXAPRAGKJLDH-DGCLKSJQSA-N 0 1 294.395 3.790 20 0 CHADMN Cc1ccccc1OCCCN[C@H](C)c1nccs1 ZINC000093405664 330420337 /nfs/dbraw/zinc/42/03/37/330420337.db2.gz YUVNNRLEGKRKAK-CYBMUJFWSA-N 0 1 276.405 3.571 20 0 CHADMN CCc1ccccc1CNC(=O)c1ccc(O)c(Cl)c1 ZINC000084204599 330484573 /nfs/dbraw/zinc/48/45/73/330484573.db2.gz JDAVCOPBZDNTIG-UHFFFAOYSA-N 0 1 289.762 3.538 20 0 CHADMN Cc1nc(CN[C@@H]2CCC(C)(C)c3ccccc32)[nH]c1C ZINC000516492056 330493319 /nfs/dbraw/zinc/49/33/19/330493319.db2.gz FKHMPCAUNACFJT-MRXNPFEDSA-N 0 1 283.419 3.929 20 0 CHADMN CCSc1cccc(CN[C@H](C)c2cnn(CC)c2)c1 ZINC000426333093 330504614 /nfs/dbraw/zinc/50/46/14/330504614.db2.gz GIMNTINUCPRYDR-CYBMUJFWSA-N 0 1 289.448 3.866 20 0 CHADMN CCC1(CNCc2ncc(C(F)(F)F)s2)CCC1 ZINC000433307121 330624600 /nfs/dbraw/zinc/62/46/00/330624600.db2.gz UBGYGYOUNQFQSS-UHFFFAOYSA-N 0 1 278.343 3.832 20 0 CHADMN FC(F)(F)CCN1CCC(F)(c2ccccc2)CC1 ZINC000434495752 330640157 /nfs/dbraw/zinc/64/01/57/330640157.db2.gz YSFUMAHTNRIMKV-UHFFFAOYSA-N 0 1 275.289 3.900 20 0 CHADMN C[C@@H](NCc1ccc(F)c(Cl)c1)c1cncc(F)c1 ZINC000155175073 330665901 /nfs/dbraw/zinc/66/59/01/330665901.db2.gz UTPXILYUUCSHSE-SECBINFHSA-N 0 1 282.721 3.864 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(O)c(Cl)c1 ZINC000436637709 330681925 /nfs/dbraw/zinc/68/19/25/330681925.db2.gz AMURWGHSQMJEGZ-JTNHKYCSSA-N 0 1 293.794 3.839 20 0 CHADMN CCc1nc(C)c(NC(=O)c2ccc(Cl)cc2O)s1 ZINC000436642453 330682059 /nfs/dbraw/zinc/68/20/59/330682059.db2.gz SFJAMYSYAMEAAZ-UHFFFAOYSA-N 0 1 296.779 3.625 20 0 CHADMN CCOc1ccc([C@H](C)NC[C@@H](F)CC)cc1OCC ZINC000440771139 330755949 /nfs/dbraw/zinc/75/59/49/330755949.db2.gz MOLSYSIRTRAMSZ-JSGCOSHPSA-N 0 1 283.387 3.883 20 0 CHADMN Clc1cnc(CNCCc2ccc3[nH]ccc3c2)s1 ZINC000441212770 330763324 /nfs/dbraw/zinc/76/33/24/330763324.db2.gz UKKADQFQPZSPIK-UHFFFAOYSA-N 0 1 291.807 3.610 20 0 CHADMN CC(C)CC1(C(=O)Nc2cccc(Cl)c2O)CC1 ZINC000442564811 330777042 /nfs/dbraw/zinc/77/70/42/330777042.db2.gz FZFYXUMFPHQTHN-UHFFFAOYSA-N 0 1 267.756 3.810 20 0 CHADMN Cc1cccc(Cc2noc([C@H](C)N3[C@@H](C)CC[C@@H]3C)n2)c1 ZINC000443200054 330796549 /nfs/dbraw/zinc/79/65/49/330796549.db2.gz FHKHFFBXMMOQND-KKUMJFAQSA-N 0 1 299.418 3.903 20 0 CHADMN CC1(c2ccccc2)CCN(Cc2ccncc2F)CC1 ZINC000449022589 330892710 /nfs/dbraw/zinc/89/27/10/330892710.db2.gz JOHXUATWUFLPNR-UHFFFAOYSA-N 0 1 284.378 3.774 20 0 CHADMN COc1ccc([C@@H](NCc2ccncc2F)C(C)C)cc1 ZINC000449066481 330896694 /nfs/dbraw/zinc/89/66/94/330896694.db2.gz CETUMUDEXQGALJ-KRWDZBQOSA-N 0 1 288.366 3.716 20 0 CHADMN CC[C@@H](NCc1c(C)nnn1CC)c1ccc(Cl)cc1 ZINC000449077447 330897567 /nfs/dbraw/zinc/89/75/67/330897567.db2.gz VYKCLSQPHPHDMI-CQSZACIVSA-N 0 1 292.814 3.501 20 0 CHADMN Cc1cccc(CCN[C@@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000449223419 330907327 /nfs/dbraw/zinc/90/73/27/330907327.db2.gz JQZSAJHGTDNBKF-MRXNPFEDSA-N 0 1 299.418 3.785 20 0 CHADMN CC(C)(CF)NCc1cnc(-c2ccccc2F)s1 ZINC000449253249 330910058 /nfs/dbraw/zinc/91/00/58/330910058.db2.gz XXKFXCIEXYJSKB-UHFFFAOYSA-N 0 1 282.359 3.787 20 0 CHADMN Cc1cc(CNCc2ccccc2OCC(C)C)ccn1 ZINC000449401721 330922653 /nfs/dbraw/zinc/92/26/53/330922653.db2.gz ILPZZDQFDSDEIE-UHFFFAOYSA-N 0 1 284.403 3.715 20 0 CHADMN C[C@H](CCC1CCCC1)NCc1nn(C)cc1Cl ZINC000449477748 330928920 /nfs/dbraw/zinc/92/89/20/330928920.db2.gz IZCZUFUGURALCE-LLVKDONJSA-N 0 1 269.820 3.522 20 0 CHADMN CSCc1cnc(CNC[C@@H]2CCCC2(F)F)s1 ZINC000449498646 330931749 /nfs/dbraw/zinc/93/17/49/330931749.db2.gz SFZAOKZSAAPGMF-VIFPVBQESA-N 0 1 292.420 3.531 20 0 CHADMN CCc1ncc(CN[C@H]2c3cc(C)ccc3C[C@H]2C)o1 ZINC000449609333 330939411 /nfs/dbraw/zinc/93/94/11/330939411.db2.gz MWNQFNBJYUDVGF-SJKOYZFVSA-N 0 1 270.376 3.569 20 0 CHADMN COc1c(O)cccc1CN[C@H](C)c1cccc(C)c1 ZINC000449773896 330949377 /nfs/dbraw/zinc/94/93/77/330949377.db2.gz JHIXSGPNYJLOTA-CYBMUJFWSA-N 0 1 271.360 3.560 20 0 CHADMN COc1cc(CN[C@H](C)c2cccnc2)ccc1Cl ZINC000450660470 330991804 /nfs/dbraw/zinc/99/18/04/330991804.db2.gz LBTOBLVEMMYZSJ-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN Cn1cc([C@H](NCC2=CCCCC2)c2ccc(F)cc2)cn1 ZINC000450775791 330999341 /nfs/dbraw/zinc/99/93/41/330999341.db2.gz VEECPWYCUQJITA-GOSISDBHSA-N 0 1 299.393 3.739 20 0 CHADMN CC(C)c1nnc(CN(CC2CC2)CC2CCC2)s1 ZINC000450892329 331005239 /nfs/dbraw/zinc/00/52/39/331005239.db2.gz DHLAJEQMGHQAFL-UHFFFAOYSA-N 0 1 279.453 3.674 20 0 CHADMN Cc1nccc(N2CCC[C@]3(CCSC3)C2)c1Cl ZINC000450897370 331005685 /nfs/dbraw/zinc/00/56/85/331005685.db2.gz APVTYTUVORYXEV-AWEZNQCLSA-N 0 1 282.840 3.767 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@@H](C(C)(C)C)C2)s1 ZINC000450899594 331005768 /nfs/dbraw/zinc/00/57/68/331005768.db2.gz SWGSBTIEVJFFCZ-GFCCVEGCSA-N 0 1 281.469 3.920 20 0 CHADMN CC(C)c1ncc(CN(C)C[C@H]2CCCCC2(F)F)cn1 ZINC000450908097 331006478 /nfs/dbraw/zinc/00/64/78/331006478.db2.gz LONOZIRQCVKNAF-CQSZACIVSA-N 0 1 297.393 3.857 20 0 CHADMN Cc1ccccc1[C@]1(F)CCN(CCc2cscn2)C1 ZINC000450928993 331007731 /nfs/dbraw/zinc/00/77/31/331007731.db2.gz TVQTWDIPGSANPT-INIZCTEOSA-N 0 1 290.407 3.565 20 0 CHADMN C[C@H](SCc1c[nH]nn1)c1cccc(Br)c1 ZINC000450963003 331008945 /nfs/dbraw/zinc/00/89/45/331008945.db2.gz CLMUGUAQEVXVLQ-QMMMGPOBSA-N 0 1 298.209 3.562 20 0 CHADMN c1nnsc1CN1[C@@H]2CC[C@H]1CC(Cc1ccccc1)C2 ZINC000450983008 331010043 /nfs/dbraw/zinc/01/00/43/331010043.db2.gz WMUDLDWFQCEOCS-MQVJKMGUSA-N 0 1 299.443 3.524 20 0 CHADMN c1ccc2oc(CN3CCC[C@@H](c4ccncc4)C3)nc2c1 ZINC000451004014 331011406 /nfs/dbraw/zinc/01/14/06/331011406.db2.gz VVEWXVHJJSOQKI-OAHLLOKOSA-N 0 1 293.370 3.602 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@H](c2ccncc2)C1 ZINC000451006260 331011609 /nfs/dbraw/zinc/01/16/09/331011609.db2.gz RBRXPJSQFDSOQI-AWEZNQCLSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CCC=C(c2cccnc2)C1 ZINC000451022880 331012210 /nfs/dbraw/zinc/01/22/10/331012210.db2.gz CYFZMJKQGXDUTJ-UHFFFAOYSA-N 0 1 297.402 3.791 20 0 CHADMN Cc1ccc2[nH]c([C@@H]3CCCN3C[C@H]3CC[C@@H](C)O3)nc2c1 ZINC000451020456 331012222 /nfs/dbraw/zinc/01/22/22/331012222.db2.gz ZYHZSFUSXVLDLP-CPUCHLNUSA-N 0 1 299.418 3.576 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C[C@H]3CC[C@@H](C)O3)[nH]c2c1 ZINC000451020456 331012223 /nfs/dbraw/zinc/01/22/23/331012223.db2.gz ZYHZSFUSXVLDLP-CPUCHLNUSA-N 0 1 299.418 3.576 20 0 CHADMN CN(Cc1c(F)cccc1F)C[C@@H]1CCC(F)(F)C1 ZINC000451070423 331014786 /nfs/dbraw/zinc/01/47/86/331014786.db2.gz IIWLFKGUPFRJAK-SNVBAGLBSA-N 0 1 275.289 3.832 20 0 CHADMN CCc1nocc1CN(C)CC/C=C\c1ccccc1 ZINC000451071042 331014867 /nfs/dbraw/zinc/01/48/67/331014867.db2.gz KBKINTFHHUNQPJ-XFFZJAGNSA-N 0 1 270.376 3.772 20 0 CHADMN CCC1(NCc2noc(-c3ccccc3C)n2)CCCC1 ZINC000451277989 331022867 /nfs/dbraw/zinc/02/28/67/331022867.db2.gz SYIKRZVNBVUOGF-UHFFFAOYSA-N 0 1 285.391 3.857 20 0 CHADMN CCC[C@H](NCc1nc(CC(C)C)no1)C(C)(C)C ZINC000451428163 331029145 /nfs/dbraw/zinc/02/91/45/331029145.db2.gz XRTPMGNXSBMTNW-LBPRGKRZSA-N 0 1 267.417 3.573 20 0 CHADMN CC(C)(C)c1cnc(CN[C@H]2CCC23CCCC3)o1 ZINC000451452583 331029989 /nfs/dbraw/zinc/02/99/89/331029989.db2.gz DJLBMBDHFWUDCF-LBPRGKRZSA-N 0 1 262.397 3.785 20 0 CHADMN CO[C@H]1CCN([C@@H](C)c2cc(F)ccc2F)CC1(C)C ZINC000451546271 331033610 /nfs/dbraw/zinc/03/36/10/331033610.db2.gz BFJGIEKGLRZUPH-NHYWBVRUSA-N 0 1 283.362 3.773 20 0 CHADMN COc1ccc(Cl)c(CN2CC[C@@H](OC)C(C)(C)C2)c1 ZINC000451559482 331034355 /nfs/dbraw/zinc/03/43/55/331034355.db2.gz UGPVOIHSHJYAEK-OAHLLOKOSA-N 0 1 297.826 3.596 20 0 CHADMN C[C@H](NCc1ccc(CO)cc1)c1ccccc1Cl ZINC000163444586 331040382 /nfs/dbraw/zinc/04/03/82/331040382.db2.gz XILCGWWUVZSYED-LBPRGKRZSA-N 0 1 275.779 3.683 20 0 CHADMN CC(C)(C(=O)Nc1cc(Cl)c(O)cc1F)C1CCC1 ZINC000451748208 331041010 /nfs/dbraw/zinc/04/10/10/331041010.db2.gz XUPBMVXAAHRNEE-UHFFFAOYSA-N 0 1 285.746 3.950 20 0 CHADMN CC(C)(C)OCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451841635 331044473 /nfs/dbraw/zinc/04/44/73/331044473.db2.gz QJNDKFKOFYKJBI-CQSZACIVSA-N 0 1 263.381 3.622 20 0 CHADMN c1ccc2[nH]c([C@H]3CCCCN3CC[C@@H]3CCCO3)nc2c1 ZINC000451876174 331045815 /nfs/dbraw/zinc/04/58/15/331045815.db2.gz DYCCLYIVAUPKCL-WMLDXEAASA-N 0 1 299.418 3.659 20 0 CHADMN Cc1ccccc1Cc1nnc(CN2[C@H](C)CCC2(C)C)o1 ZINC000452009889 331050341 /nfs/dbraw/zinc/05/03/41/331050341.db2.gz PZMBVSUBIKNHRU-CQSZACIVSA-N 0 1 299.418 3.732 20 0 CHADMN CCO[C@@H]1CCC[C@H]1N[C@H](C)c1c(F)cccc1F ZINC000452015807 331050411 /nfs/dbraw/zinc/05/04/11/331050411.db2.gz JCVHYBHPQAFXKE-LERXQTSPSA-N 0 1 269.335 3.573 20 0 CHADMN CCCCc1nc(CN[C@@H]2CCCC[C@H]2OCC)cs1 ZINC000452033967 331051281 /nfs/dbraw/zinc/05/12/81/331051281.db2.gz IOPYCQKNWWTSQE-HUUCEWRRSA-N 0 1 296.480 3.923 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@@H](CC(C)(C)C)C2)s1 ZINC000452080334 331053367 /nfs/dbraw/zinc/05/33/67/331053367.db2.gz OPZFGYFRXXHRAP-JQWIXIFHSA-N 0 1 267.442 3.666 20 0 CHADMN CC(C)N(Cc1nnc(C(C)(C)C)[nH]1)C1CC(C)(C)C1 ZINC000452110953 331054733 /nfs/dbraw/zinc/05/47/33/331054733.db2.gz RVUKKAFSKJFESB-UHFFFAOYSA-N 0 1 278.444 3.501 20 0 CHADMN CCC[C@H](O)CN[C@H](C)c1cc(Cl)sc1Cl ZINC000163596451 331060547 /nfs/dbraw/zinc/06/05/47/331060547.db2.gz LMKLYHDAVGDYQB-SFYZADRCSA-N 0 1 282.236 3.867 20 0 CHADMN C[C@H](N[C@@H]1CC(C)(C)C[C@H]1C)c1nc(C(C)(C)C)no1 ZINC000194859145 331066206 /nfs/dbraw/zinc/06/62/06/331066206.db2.gz VNMBGJQEFVQFLD-GRYCIOLGSA-N 0 1 279.428 3.842 20 0 CHADMN CC(C)C[C@]1(C)CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000452514581 331067160 /nfs/dbraw/zinc/06/71/60/331067160.db2.gz SSQDEAFABDSNFG-KRWDZBQOSA-N 0 1 285.391 3.604 20 0 CHADMN C[C@@H](NCc1cccc(COC(C)(C)C)c1)c1ccncn1 ZINC000453089560 331088145 /nfs/dbraw/zinc/08/81/45/331088145.db2.gz KEMODBHEOHVSHA-CQSZACIVSA-N 0 1 299.418 3.643 20 0 CHADMN C[C@H](N[C@@H]1c2cccc(F)c2CC[C@H]1C)c1ccncn1 ZINC000453149200 331094288 /nfs/dbraw/zinc/09/42/88/331094288.db2.gz ZUPPSTIZVDACJM-PEBVRCNWSA-N 0 1 285.366 3.590 20 0 CHADMN CCCCn1cc(CN[C@@H](CC)c2ccncc2)c(C)n1 ZINC000453162110 331095799 /nfs/dbraw/zinc/09/57/99/331095799.db2.gz JUKPUVUQEGTBMG-KRWDZBQOSA-N 0 1 286.423 3.628 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H]2C[C@H](C)n3ccnc32)c2ccccc21 ZINC000453163486 331095890 /nfs/dbraw/zinc/09/58/90/331095890.db2.gz SJCTVSICUKGIRG-GUYJKWIASA-N 0 1 267.376 3.727 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H]2C[C@@H](C)n3ccnc32)c2ccccc21 ZINC000453163485 331095913 /nfs/dbraw/zinc/09/59/13/331095913.db2.gz SJCTVSICUKGIRG-AVRGHOLYSA-N 0 1 267.376 3.727 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H](CC(F)(F)F)C(C)C ZINC000453213987 331102283 /nfs/dbraw/zinc/10/22/83/331102283.db2.gz HNIMAFACLFXKMC-QWRGUYRKSA-N 0 1 277.334 3.531 20 0 CHADMN Cc1cc([C@H](C)NCc2c3c(nn2C)CCCC3)cs1 ZINC000453240106 331105853 /nfs/dbraw/zinc/10/58/53/331105853.db2.gz NSTKVDGCTRQAMM-LBPRGKRZSA-N 0 1 289.448 3.520 20 0 CHADMN COc1ccncc1CN[C@@H]1CC[C@@H](C)c2ccsc21 ZINC000453248863 331107238 /nfs/dbraw/zinc/10/72/38/331107238.db2.gz XOYUSECGMLLBLZ-BXUZGUMPSA-N 0 1 288.416 3.880 20 0 CHADMN CC[C@H](N[C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1)C(F)F ZINC000453253344 331107997 /nfs/dbraw/zinc/10/79/97/331107997.db2.gz WVXZZKHKVHTAAH-QZKOUSHUSA-N 0 1 283.362 3.821 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H](C)c1cc2c(s1)CCC2 ZINC000453347568 331120218 /nfs/dbraw/zinc/12/02/18/331120218.db2.gz KRKUCANSEIFVTM-VXGBXAGGSA-N 0 1 289.448 3.865 20 0 CHADMN Fc1ccc([C@H](NCc2cnc(C3CC3)o2)C2CC2)cc1 ZINC000453349137 331120335 /nfs/dbraw/zinc/12/03/35/331120335.db2.gz JELPTELVOVCNHR-MRXNPFEDSA-N 0 1 286.350 3.932 20 0 CHADMN CCc1ncc(CN[C@H](C)c2ccc3c(c2)CCC3)o1 ZINC000453352928 331120971 /nfs/dbraw/zinc/12/09/71/331120971.db2.gz GXUCBQPEXFUDHK-GFCCVEGCSA-N 0 1 270.376 3.577 20 0 CHADMN C[C@H](N[C@@H]1CCCN(C)c2ccccc21)c1ccc(F)cn1 ZINC000453353961 331121135 /nfs/dbraw/zinc/12/11/35/331121135.db2.gz IAKTZUSEYAOATN-SUMWQHHRSA-N 0 1 299.393 3.843 20 0 CHADMN CC[C@H](NCc1cnc(C2CC2)o1)c1cccc(OC)c1 ZINC000453359742 331122206 /nfs/dbraw/zinc/12/22/06/331122206.db2.gz PETPQNDBGNRJCO-INIZCTEOSA-N 0 1 286.375 3.802 20 0 CHADMN CCc1ccc([C@H](CC)NCc2ncccc2OC)cc1 ZINC000453363170 331122767 /nfs/dbraw/zinc/12/27/67/331122767.db2.gz MHXNGMWZCVCPAF-INIZCTEOSA-N 0 1 284.403 3.894 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cnc(CC)o2)s1 ZINC000453367338 331123427 /nfs/dbraw/zinc/12/34/27/331123427.db2.gz MEKXUVDHILKTBE-SNVBAGLBSA-N 0 1 264.394 3.712 20 0 CHADMN COc1cccnc1CN[C@H](c1ccccc1)C(C)C ZINC000453374843 331124575 /nfs/dbraw/zinc/12/45/75/331124575.db2.gz TWQUIEFPKFRCLI-KRWDZBQOSA-N 0 1 270.376 3.577 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2ccc(C)c(C)c2)o1 ZINC000453374504 331124577 /nfs/dbraw/zinc/12/45/77/331124577.db2.gz OWICAPIKCDSENE-ZDUSSCGKSA-N 0 1 258.365 3.705 20 0 CHADMN CCO[C@@H]1CCC[C@H]1N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000453393623 331127518 /nfs/dbraw/zinc/12/75/18/331127518.db2.gz FISANSINWJCITP-OUCADQQQSA-N 0 1 294.464 3.630 20 0 CHADMN CCc1ncc(CN[C@H]2CC[C@@H](C)c3ccccc32)o1 ZINC000453394659 331127802 /nfs/dbraw/zinc/12/78/02/331127802.db2.gz SMFLMGSLLILSDK-WBMJQRKESA-N 0 1 270.376 3.965 20 0 CHADMN CCCc1ncc(CN[C@@H](c2ccccc2)C2CC2)o1 ZINC000453396730 331128185 /nfs/dbraw/zinc/12/81/85/331128185.db2.gz VJFPNQUTEASWFG-KRWDZBQOSA-N 0 1 270.376 3.868 20 0 CHADMN CCCc1ncc(CN[C@H](CC)c2ccc(OC)cc2)o1 ZINC000453399976 331128382 /nfs/dbraw/zinc/12/83/82/331128382.db2.gz XXTXXVRREUMOGD-MRXNPFEDSA-N 0 1 288.391 3.877 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)o1 ZINC000453611493 331136498 /nfs/dbraw/zinc/13/64/98/331136498.db2.gz IVFKHRZHSBBOQO-SFHVURJKSA-N 0 1 299.414 3.972 20 0 CHADMN CCc1cnc(CN[C@H]2C[C@@]2(CC)C(C)C)s1 ZINC000453613801 331136531 /nfs/dbraw/zinc/13/65/31/331136531.db2.gz OVNGYUKGHHMOSD-JSGCOSHPSA-N 0 1 252.427 3.620 20 0 CHADMN COC[C@H](CC(C)C)Nc1ccc2cnccc2c1 ZINC000453617152 331136828 /nfs/dbraw/zinc/13/68/28/331136828.db2.gz PINNTIMYNIHSEK-INIZCTEOSA-N 0 1 258.365 3.708 20 0 CHADMN C[C@H]1CC[C@@H](CNCc2csc(-c3ccsc3)n2)O1 ZINC000453636288 331137287 /nfs/dbraw/zinc/13/72/87/331137287.db2.gz WMFFGCXHPJMJEC-GWCFXTLKSA-N 0 1 294.445 3.529 20 0 CHADMN C[C@@H]1CC[C@@H](CNCc2csc(-c3cccs3)n2)O1 ZINC000453633684 331137402 /nfs/dbraw/zinc/13/74/02/331137402.db2.gz RSMLICXOSZCUIE-PWSUYJOCSA-N 0 1 294.445 3.529 20 0 CHADMN C[C@@H]1CC[C@@H](CNCc2ccc(Oc3ccccc3)o2)O1 ZINC000453638192 331137522 /nfs/dbraw/zinc/13/75/22/331137522.db2.gz ZRTWUWPHUCISBA-HIFRSBDPSA-N 0 1 287.359 3.729 20 0 CHADMN Cc1cc(Br)ccc1CNCc1ccoc1 ZINC000163957594 331143323 /nfs/dbraw/zinc/14/33/23/331143323.db2.gz HPYBLSMAGMWKEB-UHFFFAOYSA-N 0 1 280.165 3.640 20 0 CHADMN CC(C)[C@@H]1N(C(=O)c2c(O)cccc2F)CC12CCCC2 ZINC000457132520 331212754 /nfs/dbraw/zinc/21/27/54/331212754.db2.gz CRUOKOBWKFQOMP-HNNXBMFYSA-N 0 1 291.366 3.572 20 0 CHADMN CC(C)c1cc(C(=O)N2CC3(CCCC3)[C@H]2C(C)C)n[nH]1 ZINC000457182082 331214166 /nfs/dbraw/zinc/21/41/66/331214166.db2.gz YAPUWFWYAWIITA-OAHLLOKOSA-N 0 1 289.423 3.574 20 0 CHADMN C[C@@H](CC(F)(F)F)C(=O)Nc1cccc(Cl)c1O ZINC000457661376 331230445 /nfs/dbraw/zinc/23/04/45/331230445.db2.gz HALMCYOQKVPERE-LURJTMIESA-N 0 1 281.661 3.573 20 0 CHADMN C[C@H](C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C1CCC1 ZINC000457681600 331231011 /nfs/dbraw/zinc/23/10/11/331231011.db2.gz WNUUJUFHNRILSW-QMMMGPOBSA-N 0 1 293.317 3.875 20 0 CHADMN C[C@@H](C(=O)Nc1cc(F)cc(Cl)c1O)C1CCC1 ZINC000457751050 331233269 /nfs/dbraw/zinc/23/32/69/331233269.db2.gz SHAGFDSMVOKFLN-SSDOTTSWSA-N 0 1 271.719 3.559 20 0 CHADMN CC[C@@H](CC(F)F)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000457757287 331233454 /nfs/dbraw/zinc/23/34/54/331233454.db2.gz XDUSKPIYLKPEJY-LURJTMIESA-N 0 1 295.688 3.805 20 0 CHADMN c1csc([C@H]2CCCN2Cc2cnc(C3CC3)nc2)c1 ZINC000459300127 331275364 /nfs/dbraw/zinc/27/53/64/331275364.db2.gz UVNPNJWUNINDGY-CQSZACIVSA-N 0 1 285.416 3.753 20 0 CHADMN FC1(F)CCC(C[N@H+]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000459312002 331275805 /nfs/dbraw/zinc/27/58/05/331275805.db2.gz NNEGHCRFSUHVFL-MRXNPFEDSA-N 0 1 295.373 3.885 20 0 CHADMN FC1(F)CCC(CN2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000459312002 331275806 /nfs/dbraw/zinc/27/58/06/331275806.db2.gz NNEGHCRFSUHVFL-MRXNPFEDSA-N 0 1 295.373 3.885 20 0 CHADMN CCN(Cc1ccc(C2CC2)cc1)Cc1ccccn1 ZINC000459358047 331277884 /nfs/dbraw/zinc/27/78/84/331277884.db2.gz WVGSXLDEFBQILM-UHFFFAOYSA-N 0 1 266.388 3.981 20 0 CHADMN Cc1nc2scc(C3CC3)n2c1CN1CC[C@H]1C(C)C ZINC000459368489 331278516 /nfs/dbraw/zinc/27/85/16/331278516.db2.gz YBLSIANVZGQYHF-ZDUSSCGKSA-N 0 1 289.448 3.812 20 0 CHADMN c1ccc(C2(NCc3cnc(C4CC4)nc3)CCC2)cc1 ZINC000459395854 331279706 /nfs/dbraw/zinc/27/97/06/331279706.db2.gz ZVCPIAQENVVXCY-UHFFFAOYSA-N 0 1 279.387 3.523 20 0 CHADMN Cc1noc(C)c1CCNCc1c(F)cc(C)cc1Cl ZINC000459405326 331280057 /nfs/dbraw/zinc/28/00/57/331280057.db2.gz SCWVFLNFSDWNHV-UHFFFAOYSA-N 0 1 296.773 3.725 20 0 CHADMN COCc1cc(CN[C@@H](C)CCC2CCCCC2)no1 ZINC000459408171 331280220 /nfs/dbraw/zinc/28/02/20/331280220.db2.gz INYUEVYCPMPSAH-ZDUSSCGKSA-N 0 1 280.412 3.660 20 0 CHADMN Cc1cc(CNCC(C)(C)c2c(F)cccc2Cl)no1 ZINC000459431661 331281132 /nfs/dbraw/zinc/28/11/32/331281132.db2.gz SEYLLFDFNCOATP-UHFFFAOYSA-N 0 1 296.773 3.843 20 0 CHADMN CCn1nccc1CN(C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000459435688 331281296 /nfs/dbraw/zinc/28/12/96/331281296.db2.gz WZJIOPMKOWTVBK-AWEZNQCLSA-N 0 1 283.419 3.585 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@](C)(O)CC2)c(Cl)c1 ZINC000459523490 331285981 /nfs/dbraw/zinc/28/59/81/331285981.db2.gz JGAPQCSPBZNSFK-HNNXBMFYSA-N 0 1 285.790 3.524 20 0 CHADMN CSc1ccc([C@H](C)NCc2cnc(C3CC3)nc2)cc1 ZINC000459530288 331286254 /nfs/dbraw/zinc/28/62/54/331286254.db2.gz LNHLEPBBLPSHJJ-LBPRGKRZSA-N 0 1 299.443 3.927 20 0 CHADMN CCOc1cc(C[N@H+]2CCC=C(c3ccco3)C2)ccc1O ZINC000459545379 331286975 /nfs/dbraw/zinc/28/69/75/331286975.db2.gz PRDPDRDAABOAEE-UHFFFAOYSA-N 0 1 299.370 3.673 20 0 CHADMN Cc1cc(CN[C@H]2C[C@H](c3cccc(Cl)c3)C2)no1 ZINC000459549155 331287362 /nfs/dbraw/zinc/28/73/62/331287362.db2.gz YQNJYJGIDKEESH-MQMHXKEQSA-N 0 1 276.767 3.672 20 0 CHADMN Cc1nc2ccc(CN3CC4(C3)CCCC4)cc2s1 ZINC000459557638 331287607 /nfs/dbraw/zinc/28/76/07/331287607.db2.gz HQIPWIWGGPFDJR-UHFFFAOYSA-N 0 1 272.417 3.981 20 0 CHADMN COCCN(Cc1ccc(C2CC2)cc1)Cc1ccccn1 ZINC000459563668 331288170 /nfs/dbraw/zinc/28/81/70/331288170.db2.gz REHDQOSHVXHYBS-UHFFFAOYSA-N 0 1 296.414 3.608 20 0 CHADMN Cc1cc(CNCC[C@H](c2ccccc2)C(F)(F)F)no1 ZINC000459599833 331290014 /nfs/dbraw/zinc/29/00/14/331290014.db2.gz YMZGRDGJPCEOFG-CQSZACIVSA-N 0 1 298.308 3.809 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@]2(C)CCCC[C@H]2C)n1 ZINC000459621294 331290922 /nfs/dbraw/zinc/29/09/22/331290922.db2.gz WNFHTLSAGKWRAO-LALPHHSUSA-N 0 1 297.468 3.942 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cccnc1C ZINC000459653572 331292340 /nfs/dbraw/zinc/29/23/40/331292340.db2.gz XQOQTWFDAIIDIG-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1ccc(CN[C@H]2CSCCc3ccccc32)nc1C ZINC000459660844 331292757 /nfs/dbraw/zinc/29/27/57/331292757.db2.gz FQUHJJOFOAUMTM-SFHVURJKSA-N 0 1 298.455 3.819 20 0 CHADMN Cc1ccc(CNCc2ccc3c(c2)CCCC3)nc1C ZINC000459675584 331293572 /nfs/dbraw/zinc/29/35/72/331293572.db2.gz SWMHTUWBRIRQPQ-UHFFFAOYSA-N 0 1 280.415 3.867 20 0 CHADMN Cc1ccc(CNCc2ccc(Cl)c(C)c2)nc1C ZINC000459679007 331293921 /nfs/dbraw/zinc/29/39/21/331293921.db2.gz WLPDPFXUBRLACK-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN CCCc1noc(CN(C)[C@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000459682459 331294145 /nfs/dbraw/zinc/29/41/45/331294145.db2.gz YRZQBCHTBVURAX-CVEARBPZSA-N 0 1 299.418 3.790 20 0 CHADMN CC(C)c1cnc(CN(C)C2CC(C)(C)C2)s1 ZINC000459736658 331296962 /nfs/dbraw/zinc/29/69/62/331296962.db2.gz QGVRDUHGNFPKKO-UHFFFAOYSA-N 0 1 252.427 3.887 20 0 CHADMN CN(Cc1ncc(-c2ccccc2)o1)C1CC(C)(C)C1 ZINC000459743183 331297469 /nfs/dbraw/zinc/29/74/69/331297469.db2.gz PDKUCLRLPUJNBM-UHFFFAOYSA-N 0 1 270.376 3.962 20 0 CHADMN Cc1ccc([C@@H](N[C@H](C)c2ccn(C)n2)C2CC2)cc1 ZINC000459743503 331297667 /nfs/dbraw/zinc/29/76/67/331297667.db2.gz GTNAKMNDKHAOPQ-CXAGYDPISA-N 0 1 269.392 3.530 20 0 CHADMN CCc1nc(CN[C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)cs1 ZINC000459745202 331297792 /nfs/dbraw/zinc/29/77/92/331297792.db2.gz FDAZVDSZEZHGMV-CHWSQXEVSA-N 0 1 296.480 3.777 20 0 CHADMN COC1(CN2Cc3ccc(Cl)cc3C2)CCCC1 ZINC000459746269 331297935 /nfs/dbraw/zinc/29/79/35/331297935.db2.gz ITHUIVPKTCLSOA-UHFFFAOYSA-N 0 1 265.784 3.615 20 0 CHADMN CCC[C@H](NCc1nc([C@H](C)SCC)no1)C1CCC1 ZINC000459810955 331301833 /nfs/dbraw/zinc/30/18/33/331301833.db2.gz USHBQEDNVDYKPS-AAEUAGOBSA-N 0 1 297.468 3.942 20 0 CHADMN CCC[C@H](NCc1nc([C@@H](C)SCC)no1)C1CCC1 ZINC000459810962 331301878 /nfs/dbraw/zinc/30/18/78/331301878.db2.gz USHBQEDNVDYKPS-YPMHNXCESA-N 0 1 297.468 3.942 20 0 CHADMN Cc1nc(C)c([C@@H](C)[N@@H+](C)CCc2c(C)noc2C)s1 ZINC000165725600 331306337 /nfs/dbraw/zinc/30/63/37/331306337.db2.gz PWTSFKALZLWJAA-LLVKDONJSA-N 0 1 293.436 3.600 20 0 CHADMN c1ccc([C@@H](N[C@@H]2CCCSC2)c2ccccn2)cc1 ZINC000166117943 331306709 /nfs/dbraw/zinc/30/67/09/331306709.db2.gz XEHSVUVYCFIULE-NVXWUHKLSA-N 0 1 284.428 3.656 20 0 CHADMN CC[C@H](NCc1cccc2c1OCO2)c1cccc(F)c1 ZINC000166540564 331307479 /nfs/dbraw/zinc/30/74/79/331307479.db2.gz SLKQYDOWPJURFF-HNNXBMFYSA-N 0 1 287.334 3.795 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000167044615 331307794 /nfs/dbraw/zinc/30/77/94/331307794.db2.gz VXKMXDLHNCQRFA-LLVKDONJSA-N 0 1 299.773 3.556 20 0 CHADMN C[C@@H](NCCOCC1CCC1)c1ccc(F)cc1Cl ZINC000462847954 331332610 /nfs/dbraw/zinc/33/26/10/331332610.db2.gz KJNFLEABADVULL-LLVKDONJSA-N 0 1 285.790 3.946 20 0 CHADMN COc1ccc(F)cc1CN1CC[C@H]1Cc1ccccc1 ZINC000462949855 331335802 /nfs/dbraw/zinc/33/58/02/331335802.db2.gz DACSEZCBONCMGM-KRWDZBQOSA-N 0 1 285.362 3.651 20 0 CHADMN COc1ccc(C)cc1CN1CC(c2ccccc2F)C1 ZINC000463031702 331337782 /nfs/dbraw/zinc/33/77/82/331337782.db2.gz ZLRWAIRAORWFLA-UHFFFAOYSA-N 0 1 285.362 3.742 20 0 CHADMN CC(C)c1ccc(CC2CCN(Cc3c[nH]cn3)CC2)cc1 ZINC000463055262 331338877 /nfs/dbraw/zinc/33/88/77/331338877.db2.gz NRYQTWOZSGUQQT-UHFFFAOYSA-N 0 1 297.446 3.988 20 0 CHADMN CC[N@@H+](CCCC1CCOCC1)Cc1c(F)cccc1F ZINC000463278146 331344752 /nfs/dbraw/zinc/34/47/52/331344752.db2.gz FJPHYSBVBORGOK-UHFFFAOYSA-N 0 1 297.389 3.994 20 0 CHADMN CCN(CCCC1CCOCC1)Cc1c(F)cccc1F ZINC000463278146 331344753 /nfs/dbraw/zinc/34/47/53/331344753.db2.gz FJPHYSBVBORGOK-UHFFFAOYSA-N 0 1 297.389 3.994 20 0 CHADMN CCN(Cc1nc(-c2cccs2)no1)CC(C)(C)C ZINC000463371923 331346829 /nfs/dbraw/zinc/34/68/29/331346829.db2.gz YKRRRINYRQNPDK-UHFFFAOYSA-N 0 1 279.409 3.666 20 0 CHADMN CC(C)Cc1noc(CN[C@@H]2CCCCC23CCCC3)n1 ZINC000463435943 331347634 /nfs/dbraw/zinc/34/76/34/331347634.db2.gz MAAXCUXSBMRTGS-CQSZACIVSA-N 0 1 291.439 3.861 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1[nH]nc2ccccc21 ZINC000464186278 331357654 /nfs/dbraw/zinc/35/76/54/331357654.db2.gz OYGILIDIUNVKLZ-SWLSCSKDSA-N 0 1 285.391 3.604 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000464196162 331357853 /nfs/dbraw/zinc/35/78/53/331357853.db2.gz BBOGBXWJJYMXOZ-XJKSGUPXSA-N 0 1 299.418 3.912 20 0 CHADMN CCN(CCC1CC1)Cc1nnc(-c2ccccc2)s1 ZINC000464491791 331361392 /nfs/dbraw/zinc/36/13/92/331361392.db2.gz FRWWOKMQEJMNEJ-UHFFFAOYSA-N 0 1 287.432 3.827 20 0 CHADMN CN(Cc1nnc(-c2ccccc2)s1)C[C@@H]1CC=CCC1 ZINC000464501503 331361610 /nfs/dbraw/zinc/36/16/10/331361610.db2.gz WDHXKISJDLDQAP-CQSZACIVSA-N 0 1 299.443 3.993 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1Cc1nnc(-c2ccccc2)s1 ZINC000464682206 331364644 /nfs/dbraw/zinc/36/46/44/331364644.db2.gz FMDBNRSJHNGAPS-TZMCWYRMSA-N 0 1 287.432 3.826 20 0 CHADMN CC(C)[C@H]1CN(CCOc2ccccc2Cl)CCS1 ZINC000464769360 331366886 /nfs/dbraw/zinc/36/68/86/331366886.db2.gz HJFBUIMZXQWIGT-OAHLLOKOSA-N 0 1 299.867 3.792 20 0 CHADMN CCc1ccccc1NC(=O)CN1CCC[C@@](C)(CC)C1 ZINC000464779130 331367749 /nfs/dbraw/zinc/36/77/49/331367749.db2.gz PKOJYLXPFPJAQQ-GOSISDBHSA-N 0 1 288.435 3.700 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1CCC(C)(C)C1 ZINC000464798799 331368958 /nfs/dbraw/zinc/36/89/58/331368958.db2.gz LGZVAHOJMYRFIZ-LBPRGKRZSA-N 0 1 294.826 3.707 20 0 CHADMN CCc1ccc(CCN2CCOC[C@H]2c2ccccc2)cc1 ZINC000464834904 331370285 /nfs/dbraw/zinc/37/02/85/331370285.db2.gz QBBCFGDOGJVKOG-FQEVSTJZSA-N 0 1 295.426 3.865 20 0 CHADMN C[C@H](Nc1ccc(Cl)c(CN(C)C)c1)C1CC1 ZINC000466419968 331396155 /nfs/dbraw/zinc/39/61/55/331396155.db2.gz UKHXEHMGHMURRU-JTQLQIEISA-N 0 1 252.789 3.612 20 0 CHADMN CCC[C@@H]1CCCN(CC(=O)Nc2cccc(C)c2C)C1 ZINC000466491189 331398291 /nfs/dbraw/zinc/39/82/91/331398291.db2.gz SGKAGMRIWWVVAH-MRXNPFEDSA-N 0 1 288.435 3.754 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H]2COc3ccc(F)cc32)cc1 ZINC000468026321 331426866 /nfs/dbraw/zinc/42/68/66/331426866.db2.gz NGIUUTPYCCOUCC-MLGOLLRUSA-N 0 1 271.335 3.918 20 0 CHADMN CCC[C@@H](CC)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000468707759 331438840 /nfs/dbraw/zinc/43/88/40/331438840.db2.gz TVZWIARPRHIAQB-OAHLLOKOSA-N 0 1 297.402 3.556 20 0 CHADMN CCc1ccc(-c2noc(CN[C@H]3CCCC3(C)C)n2)cc1 ZINC000472610087 331540215 /nfs/dbraw/zinc/54/02/15/331540215.db2.gz IAQHSLCVUICHKE-HNNXBMFYSA-N 0 1 299.418 3.967 20 0 CHADMN CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474430418 331586722 /nfs/dbraw/zinc/58/67/22/331586722.db2.gz CKPQLRFJZSXGLU-HTQZYQBOSA-N 0 1 273.735 3.805 20 0 CHADMN Cc1ccnc(NC[C@H]2CCC3(CCCCC3)O2)c1 ZINC000477625592 331687902 /nfs/dbraw/zinc/68/79/02/331687902.db2.gz DGBHOEWJAVNKPQ-CQSZACIVSA-N 0 1 260.381 3.684 20 0 CHADMN CCCC[C@@H](COC)NCc1c(Cl)cccc1OC ZINC000479273981 331723255 /nfs/dbraw/zinc/72/32/55/331723255.db2.gz UFBYAFFJHBKOSU-LBPRGKRZSA-N 0 1 285.815 3.643 20 0 CHADMN CC[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N(C)C ZINC000479631147 331741411 /nfs/dbraw/zinc/74/14/11/331741411.db2.gz CYNVWDLEDOJINO-KRWDZBQOSA-N 0 1 298.386 3.758 20 0 CHADMN C[C@H](NCCO[C@@H]1CCCC[C@@H]1C)c1ccc(Cl)cn1 ZINC000480229034 331763861 /nfs/dbraw/zinc/76/38/61/331763861.db2.gz SDHVPMMPRALFKP-HEHGZKQESA-N 0 1 296.842 3.981 20 0 CHADMN C[C@H]1CC(C)(C)CC[C@@H]1NCc1nc(C(C)(C)C)no1 ZINC000481105689 331798177 /nfs/dbraw/zinc/79/81/77/331798177.db2.gz KOPZGJWBEPIQMU-RYUDHWBXSA-N 0 1 279.428 3.672 20 0 CHADMN CC[C@H]1CCCC[C@H]1NCc1noc(-c2ccccc2)n1 ZINC000481190986 331800754 /nfs/dbraw/zinc/80/07/54/331800754.db2.gz MLPBOFWKEILHAM-DZGCQCFKSA-N 0 1 285.391 3.795 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H]2C[C@H](C)C[C@H](C)C2)no1 ZINC000483314198 331869209 /nfs/dbraw/zinc/86/92/09/331869209.db2.gz XRHWDSZTVUPDOU-NHAGDIPZSA-N 0 1 299.418 3.959 20 0 CHADMN Cc1ccc2cc(CN3CC(C)(C)OC[C@@H]3C)ccc2n1 ZINC000488388013 332003353 /nfs/dbraw/zinc/00/33/53/332003353.db2.gz JFOVIVDRLFOOGG-AWEZNQCLSA-N 0 1 284.403 3.543 20 0 CHADMN CCc1nc([C@H](C)NC2CC(C(C)C)C2)cs1 ZINC000488440599 332009004 /nfs/dbraw/zinc/00/90/04/332009004.db2.gz BLWGMDCXNBNEQI-UNXYVOJBSA-N 0 1 252.427 3.791 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@H]2CCc3c2cccc3C)n[nH]1 ZINC000488456531 332011090 /nfs/dbraw/zinc/01/10/90/332011090.db2.gz BNLBKKVVXBWLKH-GHJWDPDVSA-N 0 1 298.434 3.965 20 0 CHADMN COc1cccc(Cl)c1CN[C@@H]1CS[C@H](C(C)C)C1 ZINC000488545653 332016611 /nfs/dbraw/zinc/01/66/11/332016611.db2.gz PPPCMEHIZSBUII-NHYWBVRUSA-N 0 1 299.867 3.968 20 0 CHADMN CC[C@@H](C(=O)Nc1nc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000488891756 332032299 /nfs/dbraw/zinc/03/22/99/332032299.db2.gz PHDBOXSPKICBCZ-CYBMUJFWSA-N 0 1 297.333 3.834 20 0 CHADMN O=C(Nc1nc2ccc(F)cc2[nH]1)[C@H]1CC12CCCCC2 ZINC000488955105 332035208 /nfs/dbraw/zinc/03/52/08/332035208.db2.gz ZBNKFTMIURZSAY-LLVKDONJSA-N 0 1 287.338 3.611 20 0 CHADMN CCc1nc(C)c(CNc2ccnc3cc(F)ccc32)o1 ZINC000489013042 332037704 /nfs/dbraw/zinc/03/77/04/332037704.db2.gz PIZYYUXAXHNZMQ-UHFFFAOYSA-N 0 1 285.322 3.845 20 0 CHADMN CC[C@H]1CN(CCCSc2ccccc2Cl)CCO1 ZINC000489599865 332060853 /nfs/dbraw/zinc/06/08/53/332060853.db2.gz UUBNKZGFBHNBMZ-ZDUSSCGKSA-N 0 1 299.867 3.933 20 0 CHADMN Cc1ccccc1Cc1noc(CN(C)C2(C)CCCC2)n1 ZINC000489862945 332070927 /nfs/dbraw/zinc/07/09/27/332070927.db2.gz RPYHQYBARPKDAX-UHFFFAOYSA-N 0 1 299.418 3.733 20 0 CHADMN C[C@H](NC1CC(OC(C)(C)C)C1)c1c(F)cccc1F ZINC000490141175 332082510 /nfs/dbraw/zinc/08/25/10/332082510.db2.gz ALLZBXHYBYEMFL-UNXYVOJBSA-N 0 1 283.362 3.962 20 0 CHADMN CCCCCN1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000491112257 332150875 /nfs/dbraw/zinc/15/08/75/332150875.db2.gz YDKFCPLQYXVLPM-INIZCTEOSA-N 0 1 265.372 3.698 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cccc(Cl)c1 ZINC000172108729 335095368 /nfs/dbraw/zinc/09/53/68/335095368.db2.gz BAKYFIXHKYNUKF-UHFFFAOYSA-N 0 1 282.126 3.951 20 0 CHADMN Cc1ccc2nc(SCc3ccn(C(C)C)n3)[nH]c2c1 ZINC000172216796 335098063 /nfs/dbraw/zinc/09/80/63/335098063.db2.gz ANMHJNNPSPJPRN-UHFFFAOYSA-N 0 1 286.404 3.941 20 0 CHADMN CC(C)[C@H]1CCCCN1Cc1nccn1Cc1ccccc1 ZINC000172251807 335098741 /nfs/dbraw/zinc/09/87/41/335098741.db2.gz UCLJEDVKTKXPEC-GOSISDBHSA-N 0 1 297.446 3.942 20 0 CHADMN COCCN(Cc1cccs1)Cc1cc(F)ccc1C ZINC000491839198 332371510 /nfs/dbraw/zinc/37/15/10/332371510.db2.gz XIIYYGJXFTUQNA-UHFFFAOYSA-N 0 1 293.407 3.844 20 0 CHADMN CC(C)C[C@H](NC(=O)/C=C\C1CC1)c1nc2ccccc2[nH]1 ZINC000491945646 332376436 /nfs/dbraw/zinc/37/64/36/332376436.db2.gz OWLAWDMABMUYHE-YDZSZYSISA-N 0 1 297.402 3.733 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)/C=C\C3CC3)[nH]c2c1 ZINC000491951124 332376867 /nfs/dbraw/zinc/37/68/67/332376867.db2.gz VJFAQFCXZDNRMD-GQSKFBFOSA-N 0 1 295.386 3.501 20 0 CHADMN CCN(C(=O)c1cc(C2CCCCC2)[nH]n1)[C@@H](C)C(C)C ZINC000575598525 335107504 /nfs/dbraw/zinc/10/75/04/335107504.db2.gz BOMXWQWSWAEJQY-ZDUSSCGKSA-N 0 1 291.439 3.964 20 0 CHADMN COCCCCC[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000492219556 332387901 /nfs/dbraw/zinc/38/79/01/332387901.db2.gz IGMLERMOZOWSJF-LBPRGKRZSA-N 0 1 271.351 3.774 20 0 CHADMN COCCCCCN(C)[C@@H](C)c1c(F)cccc1F ZINC000492219556 332387902 /nfs/dbraw/zinc/38/79/02/332387902.db2.gz IGMLERMOZOWSJF-LBPRGKRZSA-N 0 1 271.351 3.774 20 0 CHADMN CC=CC=CC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000492303612 332391741 /nfs/dbraw/zinc/39/17/41/332391741.db2.gz HXNAPGQPNMXFMH-IAROGAJJSA-N 0 1 277.274 3.571 20 0 CHADMN CC(C)(NCc1ccc(F)cc1)c1ccccc1F ZINC000492447657 332397794 /nfs/dbraw/zinc/39/77/94/332397794.db2.gz YNQCIAWYXSDPET-UHFFFAOYSA-N 0 1 261.315 3.990 20 0 CHADMN COc1cccc(CN2CCCCC[C@H]2c2ccco2)n1 ZINC000172396905 335104177 /nfs/dbraw/zinc/10/41/77/335104177.db2.gz LEDBHXPDEUUZKX-HNNXBMFYSA-N 0 1 286.375 3.801 20 0 CHADMN COC[C@H](NCc1cscc1C)c1ccc(F)c(F)c1 ZINC000494485546 332475411 /nfs/dbraw/zinc/47/54/11/332475411.db2.gz SGADFJSBWCBSDY-HNNXBMFYSA-N 0 1 297.370 3.812 20 0 CHADMN C[C@@H]1CC[C@H](NC(=O)c2ccc(O)c(Cl)c2)C[C@H]1C ZINC000251971924 334372692 /nfs/dbraw/zinc/37/26/92/334372692.db2.gz YEZQNOAEDFNZFI-FOGDFJRCSA-N 0 1 281.783 3.600 20 0 CHADMN C[C@@H]1C[C@]1(NCc1cncs1)c1ccc(Cl)cc1 ZINC000500398868 332606056 /nfs/dbraw/zinc/60/60/56/332606056.db2.gz CTKHHIRRKMITIB-QMTHXVAHSA-N 0 1 278.808 3.821 20 0 CHADMN Cc1cc([C@H](C)N2CCC(Cc3ccccc3)CC2)nn1C ZINC000502394296 332656393 /nfs/dbraw/zinc/65/63/93/332656393.db2.gz SCKVGVXECZWESI-INIZCTEOSA-N 0 1 297.446 3.744 20 0 CHADMN CCN(CC)Cc1cc(Cl)c(OC)cc1Cl ZINC000505291050 332735964 /nfs/dbraw/zinc/73/59/64/332735964.db2.gz UKQOJMAOBKJDIJ-UHFFFAOYSA-N 0 1 262.180 3.844 20 0 CHADMN C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)ccc([O-])c2F)C[C@H]1C ZINC000512478711 332970056 /nfs/dbraw/zinc/97/00/56/332970056.db2.gz DHDKTZPOHSVOFU-GMTAPVOTSA-N 0 1 269.335 3.585 20 0 CHADMN CCC[C@@H](C(=O)Nc1cc(C(C)=O)ccc1O)C(C)C ZINC000512554136 332973159 /nfs/dbraw/zinc/97/31/59/332973159.db2.gz LFIGJJRRKCVNKN-CYBMUJFWSA-N 0 1 277.364 3.606 20 0 CHADMN COc1ccc(C)cc1CN[C@H](C)c1ccc2n[nH]cc2c1 ZINC000513017782 332999049 /nfs/dbraw/zinc/99/90/49/332999049.db2.gz SUUJWLBKIVNZAR-CYBMUJFWSA-N 0 1 295.386 3.731 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)N(C)Cc1cnccn1 ZINC000174638311 333004617 /nfs/dbraw/zinc/00/46/17/333004617.db2.gz FGZWJNZMHHJMTA-AWEZNQCLSA-N 0 1 277.371 3.823 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1ccncc1Cl ZINC000174882719 333009879 /nfs/dbraw/zinc/00/98/79/333009879.db2.gz NEXWLJSPFFSADV-LLVKDONJSA-N 0 1 272.845 3.699 20 0 CHADMN CCc1ccc([C@H]2CCCN(Cc3ccon3)C2)cc1 ZINC000513380020 333016622 /nfs/dbraw/zinc/01/66/22/333016622.db2.gz ABBPCIMTVJXDJJ-INIZCTEOSA-N 0 1 270.376 3.617 20 0 CHADMN Oc1ccc(F)c(CNCCCc2ccccc2F)c1F ZINC000513386757 333016771 /nfs/dbraw/zinc/01/67/71/333016771.db2.gz PWEXLEHISJYFRI-UHFFFAOYSA-N 0 1 295.304 3.532 20 0 CHADMN CCCC[C@@H](CC)CN1CCOC[C@@H]1CC(F)F ZINC000513392194 333017200 /nfs/dbraw/zinc/01/72/00/333017200.db2.gz MQEKRAVGZHIPOH-OLZOCXBDSA-N 0 1 263.372 3.559 20 0 CHADMN c1cc(CN(Cc2ccccc2)C[C@H]2CC=CCC2)n[nH]1 ZINC000513421708 333018388 /nfs/dbraw/zinc/01/83/88/333018388.db2.gz YKYQXHRGIQAABA-KRWDZBQOSA-N 0 1 281.403 3.768 20 0 CHADMN Cc1ccnc([C@H](C)N[C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000513660874 333029972 /nfs/dbraw/zinc/02/99/72/333029972.db2.gz LBDOSJQHMHITDP-OLZOCXBDSA-N 0 1 284.359 3.531 20 0 CHADMN CC[C@H](F)CN[C@@H](C)c1ccc(Br)s1 ZINC000308526152 333033759 /nfs/dbraw/zinc/03/37/59/333033759.db2.gz QSMQHUZWMGZFAA-YUMQZZPRSA-N 0 1 280.206 3.909 20 0 CHADMN Cc1ccc2ncc(CN3CCCc4ccccc4C3)n2c1 ZINC000513745561 333037177 /nfs/dbraw/zinc/03/71/77/333037177.db2.gz BBXDPSCZCNKTEN-UHFFFAOYSA-N 0 1 291.398 3.591 20 0 CHADMN CC[C@@H](C(=O)Nc1cccc(Oc2ccccc2)c1)N(C)C ZINC000513802306 333040003 /nfs/dbraw/zinc/04/00/03/333040003.db2.gz LIHZGEGDOBQJDC-KRWDZBQOSA-N 0 1 298.386 3.758 20 0 CHADMN COCCOc1cccc(-c2nc3cccc(C)c3[nH]2)c1 ZINC000513869711 333045052 /nfs/dbraw/zinc/04/50/52/333045052.db2.gz ORNFUXFQRQQCKG-UHFFFAOYSA-N 0 1 282.343 3.564 20 0 CHADMN C[C@@H]1CCC[N@H+]1[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000575809963 335118098 /nfs/dbraw/zinc/11/80/98/335118098.db2.gz GUHOLMOQGNOSBP-PRHODGIISA-N 0 1 288.174 3.603 20 0 CHADMN CO[C@H](C[N@H+]1C[C@@H](C)OC(C)(C)C1)c1ccc(Cl)cc1 ZINC000513903610 333049722 /nfs/dbraw/zinc/04/97/22/333049722.db2.gz IJRPYSDINUDEPU-IUODEOHRSA-N 0 1 297.826 3.527 20 0 CHADMN CO[C@H](CN1C[C@@H](C)OC(C)(C)C1)c1ccc(Cl)cc1 ZINC000513903610 333049723 /nfs/dbraw/zinc/04/97/23/333049723.db2.gz IJRPYSDINUDEPU-IUODEOHRSA-N 0 1 297.826 3.527 20 0 CHADMN CN(CCOc1cccc(Cl)c1)CCC(F)(F)F ZINC000514003254 333059199 /nfs/dbraw/zinc/05/91/99/333059199.db2.gz JTFNCJOPFATNOS-UHFFFAOYSA-N 0 1 281.705 3.603 20 0 CHADMN CCc1cccc(OCC[N@@H+](C)CCC(F)(F)F)c1 ZINC000514007610 333059684 /nfs/dbraw/zinc/05/96/84/333059684.db2.gz NCZJJRBTMPYYJH-UHFFFAOYSA-N 0 1 275.314 3.512 20 0 CHADMN CCc1cccc(OCCN(C)CCC(F)(F)F)c1 ZINC000514007610 333059686 /nfs/dbraw/zinc/05/96/86/333059686.db2.gz NCZJJRBTMPYYJH-UHFFFAOYSA-N 0 1 275.314 3.512 20 0 CHADMN Fc1ccc(CCN2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000177946944 333066096 /nfs/dbraw/zinc/06/60/96/333066096.db2.gz MXRQNVQBVNAUKM-NSHDSACASA-N 0 1 293.279 3.782 20 0 CHADMN C[C@H](N[C@H]1CCCC[C@@H]1C)c1nc(C(C)(C)C)no1 ZINC000178637557 333075994 /nfs/dbraw/zinc/07/59/94/333075994.db2.gz PFKSICYQKDTCPZ-SRVKXCTJSA-N 0 1 265.401 3.596 20 0 CHADMN Cc1ccc(NC(=O)CCc2nc3cccc(C)c3[nH]2)cc1 ZINC000178849724 333078048 /nfs/dbraw/zinc/07/80/48/333078048.db2.gz JXEBKMIUDBUGTO-UHFFFAOYSA-N 0 1 293.370 3.751 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000517160800 333093599 /nfs/dbraw/zinc/09/35/99/333093599.db2.gz KEUJWIRTLLKCHY-AWEZNQCLSA-N 0 1 279.355 3.534 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1cscc1Br ZINC000517262594 333096222 /nfs/dbraw/zinc/09/62/22/333096222.db2.gz XKAQVNPFGXMDIK-DTWKUNHWSA-N 0 1 274.227 3.741 20 0 CHADMN CC[C@H]1CO[C@@H](C)CN1CCCOc1cccc(Cl)c1 ZINC000520845080 333105510 /nfs/dbraw/zinc/10/55/10/333105510.db2.gz BBKQVVYXTZPXSK-ZFWWWQNUSA-N 0 1 297.826 3.608 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000521056283 333110674 /nfs/dbraw/zinc/11/06/74/333110674.db2.gz YBNBPKHYUYIHPP-LBPRGKRZSA-N 0 1 291.372 3.685 20 0 CHADMN Cc1ccc2oc(CN[C@H](C)c3cncnc3C)cc2c1 ZINC000521069439 333110995 /nfs/dbraw/zinc/11/09/95/333110995.db2.gz JNAHBIBAPBATMA-GFCCVEGCSA-N 0 1 281.359 3.690 20 0 CHADMN CC/C=C/CCN(C)CC(=O)Nc1c(C)cccc1C ZINC000184434049 333128755 /nfs/dbraw/zinc/12/87/55/333128755.db2.gz GDBMJEOJYKLOJU-VOTSOKGWSA-N 0 1 274.408 3.530 20 0 CHADMN CC(C)C[C@@H](C)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000184665163 333131359 /nfs/dbraw/zinc/13/13/59/333131359.db2.gz LTEOULYECNBADK-VXGBXAGGSA-N 0 1 291.370 3.961 20 0 CHADMN C[C@@H](c1ccccn1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000185332200 333138632 /nfs/dbraw/zinc/13/86/32/333138632.db2.gz PXWFHUZPQAIMAB-STQMWFEESA-N 0 1 288.341 3.910 20 0 CHADMN CC[C@H]1[C@@H](C)CCN1Cc1nc(Cc2ccccc2C)no1 ZINC000185615456 333144808 /nfs/dbraw/zinc/14/48/08/333144808.db2.gz FAIRCWWALRXGRC-HOCLYGCPSA-N 0 1 299.418 3.589 20 0 CHADMN Oc1cc(F)cc(CN[C@@H]2CCCc3cc(F)ccc32)c1 ZINC000185615136 333144901 /nfs/dbraw/zinc/14/49/01/333144901.db2.gz GJBLPBRWRXKOHX-QGZVFWFLSA-N 0 1 289.325 3.838 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@H]2N[C@H](CCO)c1ccco1 ZINC000186291637 333158235 /nfs/dbraw/zinc/15/82/35/333158235.db2.gz NZFWYFUNTAXBBU-IAGOWNOFSA-N 0 1 299.414 3.987 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H](CO)CC(C)(C)C)cs1 ZINC000186426063 333160519 /nfs/dbraw/zinc/16/05/19/333160519.db2.gz WFAHDZUYHMQUOY-RYUDHWBXSA-N 0 1 284.469 3.714 20 0 CHADMN CC[C@@H](N[C@@H](CCO)c1ccco1)c1cccs1 ZINC000186516414 333162218 /nfs/dbraw/zinc/16/22/18/333162218.db2.gz BSNHUXXWDWCZEP-NEPJUHHUSA-N 0 1 265.378 3.506 20 0 CHADMN CC[C@H](N[C@@H](CCO)c1ccco1)c1cccs1 ZINC000186516396 333162263 /nfs/dbraw/zinc/16/22/63/333162263.db2.gz BSNHUXXWDWCZEP-RYUDHWBXSA-N 0 1 265.378 3.506 20 0 CHADMN CC(C)OC1CC(N[C@@H](c2ccco2)c2ccccc2)C1 ZINC000186549965 333162798 /nfs/dbraw/zinc/16/27/98/333162798.db2.gz POFWOYLOFKGUJQ-LEOMRAHMSA-N 0 1 285.387 3.915 20 0 CHADMN CCCC[C@@H](C)NCc1cc(COC(C)(C)C)on1 ZINC000186815732 333165394 /nfs/dbraw/zinc/16/53/94/333165394.db2.gz IKPPDOVMNWRHFV-GFCCVEGCSA-N 0 1 268.401 3.658 20 0 CHADMN CCc1ccc(CNCc2nc3cc(C)ccc3n2C)cc1 ZINC000187573722 333172615 /nfs/dbraw/zinc/17/26/15/333172615.db2.gz ALFNTXXELACDIM-UHFFFAOYSA-N 0 1 293.414 3.734 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCC(C)CC3)n[nH]2)c(C)c1 ZINC000188869382 333175254 /nfs/dbraw/zinc/17/52/54/333175254.db2.gz DRWZHOZWHAHFLB-UHFFFAOYSA-N 0 1 297.402 3.566 20 0 CHADMN CC=Cc1ccc(NC(=O)c2cccc3cn[nH]c32)cc1 ZINC000521662889 333183076 /nfs/dbraw/zinc/18/30/76/333183076.db2.gz BVKKAVLHEYRWGV-DUXPYHPUSA-N 0 1 277.327 3.848 20 0 CHADMN O=C(c1cc(-c2ccccc2)[nH]n1)N(C1CC1)C1CCCC1 ZINC000521671160 333183347 /nfs/dbraw/zinc/18/33/47/333183347.db2.gz CNTAAKINYPBXCM-UHFFFAOYSA-N 0 1 295.386 3.624 20 0 CHADMN CC(C)N(C)Cc1csc(-c2ccsc2)n1 ZINC000152576531 333183472 /nfs/dbraw/zinc/18/34/72/333183472.db2.gz SIYBOYCXHKAZCQ-UHFFFAOYSA-N 0 1 252.408 3.712 20 0 CHADMN CC[C@H]1CCN(C(=O)c2cc(-c3ccc(C)cc3C)[nH]n2)C1 ZINC000189208225 333185134 /nfs/dbraw/zinc/18/51/34/333185134.db2.gz NZJKGYPXMHWYGQ-AWEZNQCLSA-N 0 1 297.402 3.566 20 0 CHADMN CCCN(CC)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000521814202 333189127 /nfs/dbraw/zinc/18/91/27/333189127.db2.gz NPEDQDXZPQCWLX-UHFFFAOYSA-N 0 1 262.328 3.713 20 0 CHADMN CC[C@@H](C)N(C)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000189305319 333189995 /nfs/dbraw/zinc/18/99/95/333189995.db2.gz NILVYYPATSJAGN-CYBMUJFWSA-N 0 1 285.391 3.564 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cncc(F)c2)cc1 ZINC000222917820 333202184 /nfs/dbraw/zinc/20/21/84/333202184.db2.gz NGGVSBQGGXVVKE-RYUDHWBXSA-N 0 1 274.339 3.641 20 0 CHADMN Cc1cc(C[N@H+]2CCCC3(CCCCC3)CC2)no1 ZINC000190321514 333205399 /nfs/dbraw/zinc/20/53/99/333205399.db2.gz QIKQJTRSLPUWCB-UHFFFAOYSA-N 0 1 262.397 3.919 20 0 CHADMN Cc1cc(CN2CCCC3(CCCCC3)CC2)no1 ZINC000190321514 333205401 /nfs/dbraw/zinc/20/54/01/333205401.db2.gz QIKQJTRSLPUWCB-UHFFFAOYSA-N 0 1 262.397 3.919 20 0 CHADMN C[C@@H](N[C@H]1CCCCC1(C)C)c1nc(C(C)(C)C)no1 ZINC000191572660 333221534 /nfs/dbraw/zinc/22/15/34/333221534.db2.gz KWTPTQBCBJGUEB-NEPJUHHUSA-N 0 1 279.428 3.987 20 0 CHADMN CCCC[C@H](CC)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000191570737 333221557 /nfs/dbraw/zinc/22/15/57/333221557.db2.gz HZBUKAJMZGZARR-RYUDHWBXSA-N 0 1 267.417 3.987 20 0 CHADMN C[C@@H](N[C@@H]1CCCC(C)(C)C1)c1nc(C(C)(C)C)no1 ZINC000191569258 333221559 /nfs/dbraw/zinc/22/15/59/333221559.db2.gz QXDMSSXSTCQJLQ-VXGBXAGGSA-N 0 1 279.428 3.987 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H](C)C1)c1nc(Cc2ccccc2)no1 ZINC000191598022 333222291 /nfs/dbraw/zinc/22/22/91/333222291.db2.gz YEVFKTPMAKRKHG-IJEWVQPXSA-N 0 1 299.418 3.890 20 0 CHADMN CN(Cc1nccs1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000522031279 333230747 /nfs/dbraw/zinc/23/07/47/333230747.db2.gz XOJXSBMLBMVREA-AOOOYVTPSA-N 0 1 278.343 3.696 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCS[C@H](C)CC1 ZINC000192180903 333231996 /nfs/dbraw/zinc/23/19/96/333231996.db2.gz ORMXKMAVXPZGLG-MNOVXSKESA-N 0 1 271.376 3.853 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cnn2ccccc12 ZINC000337680849 335128780 /nfs/dbraw/zinc/12/87/80/335128780.db2.gz DPWDLLZHUWLIIQ-AWEZNQCLSA-N 0 1 295.386 3.502 20 0 CHADMN CC[C@@H](C)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000192797217 333239492 /nfs/dbraw/zinc/23/94/92/333239492.db2.gz VYCGVDMJJFMGSD-MNOVXSKESA-N 0 1 251.374 3.566 20 0 CHADMN CN(Cc1csc(-c2ccccn2)n1)C1CCCC1 ZINC000193114265 333242801 /nfs/dbraw/zinc/24/28/01/333242801.db2.gz RXBFGYHIXQZOCZ-UHFFFAOYSA-N 0 1 273.405 3.580 20 0 CHADMN C[C@H](N[C@@H]1COCc2ccccc21)c1ccc(F)c(F)c1 ZINC000225985207 333244086 /nfs/dbraw/zinc/24/40/86/333244086.db2.gz QGDWFFSMIDIHIG-APPDUMDISA-N 0 1 289.325 3.887 20 0 CHADMN c1ccc2c(c1)CC[C@@H]2N[C@H]1COCc2ccccc21 ZINC000225979928 333244272 /nfs/dbraw/zinc/24/42/72/333244272.db2.gz MUXIHZRAAMSUSE-ROUUACIJSA-N 0 1 265.356 3.535 20 0 CHADMN c1cc2c(s1)CCC[C@H]2N[C@H]1COCc2ccccc21 ZINC000225998564 333244992 /nfs/dbraw/zinc/24/49/92/333244992.db2.gz OCCATRBUSGTUEL-CVEARBPZSA-N 0 1 285.412 3.987 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN(C)Cc1cnccn1 ZINC000193242055 333246197 /nfs/dbraw/zinc/24/61/97/333246197.db2.gz ZNQJHNXGBZJMHX-OAHLLOKOSA-N 0 1 261.413 3.681 20 0 CHADMN CC(C)=CCC[C@H](C)CCN(C)Cc1cnccn1 ZINC000193242032 333246228 /nfs/dbraw/zinc/24/62/28/333246228.db2.gz ZNQJHNXGBZJMHX-HNNXBMFYSA-N 0 1 261.413 3.681 20 0 CHADMN Cc1cccc([C@H]2CCC[N@H+]2CCOCC(F)(F)F)c1 ZINC000194329661 333269168 /nfs/dbraw/zinc/26/91/68/333269168.db2.gz WJXUGNFAPZDTIR-CQSZACIVSA-N 0 1 287.325 3.711 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(C)ccc2F)cc1 ZINC000227286060 333279709 /nfs/dbraw/zinc/27/97/09/333279709.db2.gz RDMAYXUORPYBFV-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN CC(C)n1ccc(CN2CC[C@@H](C)[C@@H]3CCCC[C@@H]32)n1 ZINC000522664312 333295720 /nfs/dbraw/zinc/29/57/20/333295720.db2.gz NEZAVQCOYTXHKW-PVAVHDDUSA-N 0 1 275.440 3.865 20 0 CHADMN CC(C)n1ccc(CN2CC[C@@H](C)[C@H]3CCCC[C@@H]32)n1 ZINC000522664311 333295752 /nfs/dbraw/zinc/29/57/52/333295752.db2.gz NEZAVQCOYTXHKW-OIISXLGYSA-N 0 1 275.440 3.865 20 0 CHADMN C[C@@H]1SCCN(CCOc2ccccc2Cl)[C@H]1C ZINC000522835377 333296321 /nfs/dbraw/zinc/29/63/21/333296321.db2.gz XRDWQASGPGXYTL-RYUDHWBXSA-N 0 1 285.840 3.545 20 0 CHADMN C[C@@H]1[C@H](C)SCCN1CCOc1ccccc1Cl ZINC000522835375 333296494 /nfs/dbraw/zinc/29/64/94/333296494.db2.gz XRDWQASGPGXYTL-NEPJUHHUSA-N 0 1 285.840 3.545 20 0 CHADMN CC(C)=CCNCc1cccc(F)c1Br ZINC000229123707 333300749 /nfs/dbraw/zinc/30/07/49/333300749.db2.gz RJBGNOFPQKFSRM-UHFFFAOYSA-N 0 1 272.161 3.644 20 0 CHADMN CC[C@H]1CCCN1Cc1cc(F)ccc1Br ZINC000523607489 333334070 /nfs/dbraw/zinc/33/40/70/333334070.db2.gz DFFDKGHIMLRHLT-LBPRGKRZSA-N 0 1 286.188 3.963 20 0 CHADMN CC[C@H](C)CN(C)CC(=O)Nc1cccc(Cl)c1C ZINC000523609343 333334166 /nfs/dbraw/zinc/33/41/66/333334166.db2.gz JGDWRTUVYGHBMT-NSHDSACASA-N 0 1 282.815 3.565 20 0 CHADMN CC[C@@H]1CN(CCCOc2cccc(Cl)c2)C[C@H](C)O1 ZINC000303424720 333342029 /nfs/dbraw/zinc/34/20/29/333342029.db2.gz AJXPYCPTBGANPC-DZGCQCFKSA-N 0 1 297.826 3.608 20 0 CHADMN CCc1ccc(CCN2CCO[C@H](c3ccccc3)C2)cc1 ZINC000523776661 333344939 /nfs/dbraw/zinc/34/49/39/333344939.db2.gz LXVBWEJTGPLIKN-FQEVSTJZSA-N 0 1 295.426 3.865 20 0 CHADMN CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000523837458 333347323 /nfs/dbraw/zinc/34/73/23/333347323.db2.gz HBXVXSZZQBXUIH-HZPDHXFCSA-N 0 1 294.483 3.536 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN(C)CC(C)(C)C ZINC000524026846 333351918 /nfs/dbraw/zinc/35/19/18/333351918.db2.gz MXVAVTWJMDPEJU-UHFFFAOYSA-N 0 1 282.815 3.565 20 0 CHADMN Cc1[nH]ncc1C1CCN(C(=O)CCCCC(C)C)CC1 ZINC000575965813 335135800 /nfs/dbraw/zinc/13/58/00/335135800.db2.gz FZRDRISYQDMENM-UHFFFAOYSA-N 0 1 291.439 3.641 20 0 CHADMN CC1(C)SC[C@H]1NCc1nc(-c2ccccc2)cs1 ZINC000338481188 335136788 /nfs/dbraw/zinc/13/67/88/335136788.db2.gz STLOLECLNMBGRV-CYBMUJFWSA-N 0 1 290.457 3.794 20 0 CHADMN CCC1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000524627427 333369354 /nfs/dbraw/zinc/36/93/54/333369354.db2.gz IQUARNQGZJVBNP-UHFFFAOYSA-N 0 1 277.799 3.610 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2)[C@@H]1C(=O)[O-] ZINC000235664977 333371321 /nfs/dbraw/zinc/37/13/21/333371321.db2.gz ORMYSEIKBZOPMQ-BBRMVZONSA-N 0 1 289.419 3.669 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2CCCC2)cc1F ZINC000236475044 333373584 /nfs/dbraw/zinc/37/35/84/333373584.db2.gz NLZDQPPMESEDMI-MRXNPFEDSA-N 0 1 291.366 3.679 20 0 CHADMN CO[C@H](C)CN(Cc1ccc(F)cc1Cl)C(C)C ZINC000524893181 333392172 /nfs/dbraw/zinc/39/21/72/333392172.db2.gz FMMMMIHRIMCSES-LLVKDONJSA-N 0 1 273.779 3.724 20 0 CHADMN C[C@H]1CN(Cc2ccc(Cl)cc2)C[C@H](C)S1 ZINC000525272625 333406330 /nfs/dbraw/zinc/40/63/30/333406330.db2.gz DHTIDNBFCNAXDF-QWRGUYRKSA-N 0 1 255.814 3.666 20 0 CHADMN C[C@H]1CCCC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000575995394 335139875 /nfs/dbraw/zinc/13/98/75/335139875.db2.gz MSOUNYIRNXDUGD-FZMZJTMJSA-N 0 1 281.783 3.588 20 0 CHADMN Cc1ncc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)o1 ZINC000397934893 333430917 /nfs/dbraw/zinc/43/09/17/333430917.db2.gz HGEROCYPDWSZGG-OAHLLOKOSA-N 0 1 276.767 3.877 20 0 CHADMN Cc1ncc(CN[C@H](c2ccc(Cl)cc2)C2CC2)o1 ZINC000397934890 333431007 /nfs/dbraw/zinc/43/10/07/333431007.db2.gz HGEROCYPDWSZGG-HNNXBMFYSA-N 0 1 276.767 3.877 20 0 CHADMN C/C(Cl)=C/CN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000528452184 333439011 /nfs/dbraw/zinc/43/90/11/333439011.db2.gz RGMABDIBDMNGMA-RPHDBTCBSA-N 0 1 284.856 3.569 20 0 CHADMN Cc1ncsc1CNCc1cc(C)cc(Cl)c1 ZINC000339230523 335142753 /nfs/dbraw/zinc/14/27/53/335142753.db2.gz KCNCNOIBPDUYDE-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc(C2CC2)no1)C1CCCCC1 ZINC000174139987 335148837 /nfs/dbraw/zinc/14/88/37/335148837.db2.gz BFKCBMLKTDLMJD-MNOVXSKESA-N 0 1 263.385 3.566 20 0 CHADMN CC(C)CCCN[C@@H](C)c1ncc(Br)s1 ZINC000126418733 333596956 /nfs/dbraw/zinc/59/69/56/333596956.db2.gz CDIPTMNSCWLYRB-VIFPVBQESA-N 0 1 291.258 3.992 20 0 CHADMN Cn1cc(CNCc2ccc(Cl)s2)c(C(C)(C)C)n1 ZINC000126525693 333599226 /nfs/dbraw/zinc/59/92/26/333599226.db2.gz QOLUYRKBWMUQJG-UHFFFAOYSA-N 0 1 297.855 3.722 20 0 CHADMN COc1ccc(C2(N[C@H](C)c3ccc(C)o3)CC2)cc1 ZINC000538524169 333603581 /nfs/dbraw/zinc/60/35/81/333603581.db2.gz FNKHSHCTOOMZEH-CYBMUJFWSA-N 0 1 271.360 3.937 20 0 CHADMN COc1ccc(C2(N[C@@H](C)c3ccc(C)o3)CC2)cc1 ZINC000538524170 333603645 /nfs/dbraw/zinc/60/36/45/333603645.db2.gz FNKHSHCTOOMZEH-ZDUSSCGKSA-N 0 1 271.360 3.937 20 0 CHADMN C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCSCC1 ZINC000067457240 333637969 /nfs/dbraw/zinc/63/79/69/333637969.db2.gz QNDOEEOZDRUGEG-SNVBAGLBSA-N 0 1 291.338 3.695 20 0 CHADMN CCC1(CC)[C@H](N[C@H](C)c2cscn2)[C@H](C)[C@H]1OC ZINC000538867419 333640269 /nfs/dbraw/zinc/64/02/69/333640269.db2.gz CIMZMAFIUXQJPX-OIMNJJJWSA-N 0 1 282.453 3.633 20 0 CHADMN c1c(CNC2(c3ccccc3)CCCC2)nc2ccccn12 ZINC000174393887 335153514 /nfs/dbraw/zinc/15/35/14/335153514.db2.gz PUWIETVZMAVPGA-UHFFFAOYSA-N 0 1 291.398 3.893 20 0 CHADMN Cc1noc(CN[C@H](CC2CCCCC2)C(C)(C)C)n1 ZINC000539493010 333673433 /nfs/dbraw/zinc/67/34/33/333673433.db2.gz FMCYRABDHXTTOU-CQSZACIVSA-N 0 1 279.428 3.853 20 0 CHADMN CCOc1nnc(CN[C@H](CCC(C)C)C(C)(C)C)s1 ZINC000539492739 333673646 /nfs/dbraw/zinc/67/36/46/333673646.db2.gz APMFSXHNBUVJCP-GFCCVEGCSA-N 0 1 299.484 3.877 20 0 CHADMN Cc1cc(CN2CCCCC2)c(OC(F)F)cc1C ZINC000539925051 333702761 /nfs/dbraw/zinc/70/27/61/333702761.db2.gz XGKIQAHEWONDES-UHFFFAOYSA-N 0 1 269.335 3.891 20 0 CHADMN C[C@@H](N[C@H](CO)c1cccc(F)c1)c1cccc(Cl)c1 ZINC000540183345 333718555 /nfs/dbraw/zinc/71/85/55/333718555.db2.gz RFFLWVTWUAVZFR-BDJLRTHQSA-N 0 1 293.769 3.863 20 0 CHADMN COC[C@H](N[C@@H]1CCc2ccccc21)c1ccc(F)cc1 ZINC000540186037 333719213 /nfs/dbraw/zinc/71/92/13/333719213.db2.gz JHCNPAKWDPSHIM-MSOLQXFVSA-N 0 1 285.362 3.790 20 0 CHADMN CC/C=C\CC[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000576114322 335156447 /nfs/dbraw/zinc/15/64/47/335156447.db2.gz RTVLGYWTNSAWBF-ARJAWSKDSA-N 0 1 297.345 3.598 20 0 CHADMN CC[C@@H](N[C@@H]1CCc2c1cccc2Cl)c1ccn(C)n1 ZINC000541743040 333789266 /nfs/dbraw/zinc/78/92/66/333789266.db2.gz BHXLASVPGABIFK-HUUCEWRRSA-N 0 1 289.810 3.802 20 0 CHADMN Cc1cc(C)c(CN[C@H](CO)c2cccc(F)c2)c(C)c1 ZINC000541951318 333803994 /nfs/dbraw/zinc/80/39/94/333803994.db2.gz ASMURBIJXCLYHA-GOSISDBHSA-N 0 1 287.378 3.574 20 0 CHADMN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCc1nnsc1Cl ZINC000542776268 333840074 /nfs/dbraw/zinc/84/00/74/333840074.db2.gz NDKOBJSQYYAKKJ-GMTAPVOTSA-N 0 1 287.860 3.742 20 0 CHADMN CCC1(CN[C@H](c2ccc(F)cc2)c2cnccn2)CCC1 ZINC000543404767 333871867 /nfs/dbraw/zinc/87/18/67/333871867.db2.gz UHGYDIGUHRNWPH-QGZVFWFLSA-N 0 1 299.393 3.875 20 0 CHADMN CC(C)CCN[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000543600407 333883284 /nfs/dbraw/zinc/88/32/84/333883284.db2.gz FGAMKHLRPLZXCD-MRXNPFEDSA-N 0 1 291.826 3.799 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)NCCC3CC3)n2)cc1F ZINC000544520613 333934043 /nfs/dbraw/zinc/93/40/43/333934043.db2.gz WBYKNVMMALPRMT-NSHDSACASA-N 0 1 289.354 3.635 20 0 CHADMN Cc1ccc([C@@H](NCc2ccc(C)nc2)C2CCC2)o1 ZINC000544579739 333937774 /nfs/dbraw/zinc/93/77/74/333937774.db2.gz CTAUBNKBOYGSQN-KRWDZBQOSA-N 0 1 270.376 3.922 20 0 CHADMN CC[C@@H](C)CN[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000545860534 334003158 /nfs/dbraw/zinc/00/31/58/334003158.db2.gz QVNHUKDIMURUKG-MLGOLLRUSA-N 0 1 291.826 3.799 20 0 CHADMN CCCN(CC)Cc1ccc(OC)cc1Br ZINC000564295245 334003955 /nfs/dbraw/zinc/00/39/55/334003955.db2.gz ZGOWJFAFFHDKAZ-UHFFFAOYSA-N 0 1 286.213 3.690 20 0 CHADMN Cc1ccc2nc(-c3cc(O)cc(F)c3)[nH]c2c1C ZINC000546016421 334012355 /nfs/dbraw/zinc/01/23/55/334012355.db2.gz LSLGDPVRQNPTKU-UHFFFAOYSA-N 0 1 256.280 3.691 20 0 CHADMN C[C@H](N[C@H](CO)c1ccsc1)c1ccc(Cl)c(F)c1 ZINC000546017596 334012591 /nfs/dbraw/zinc/01/25/91/334012591.db2.gz DULBHPZDIBAESG-LKFCYVNXSA-N 0 1 299.798 3.925 20 0 CHADMN Cc1cc(CN[C@H](C)CCc2ccc(Cl)s2)no1 ZINC000546659406 334044274 /nfs/dbraw/zinc/04/42/74/334044274.db2.gz AIYUQJDXFUXXGO-SECBINFHSA-N 0 1 284.812 3.809 20 0 CHADMN CC(C)(C)c1csc(CN[C@@H]2CC(C)(C)OC2(C)C)n1 ZINC000133578811 334045735 /nfs/dbraw/zinc/04/57/35/334045735.db2.gz YILMFDRYKIDHCJ-LLVKDONJSA-N 0 1 296.480 3.876 20 0 CHADMN C[N@@H+](Cc1ccncc1Cl)C1CCCCCC1 ZINC000075593880 334046348 /nfs/dbraw/zinc/04/63/48/334046348.db2.gz XHVPBZYSLNYDHI-UHFFFAOYSA-N 0 1 252.789 3.890 20 0 CHADMN C[C@@H](NC(C)(C)c1cnn(C)c1)c1ccc(F)c(Cl)c1 ZINC000546704436 334047160 /nfs/dbraw/zinc/04/71/60/334047160.db2.gz DHGZRUDNPCVBJU-SNVBAGLBSA-N 0 1 295.789 3.799 20 0 CHADMN CN(Cc1ccncc1Cl)CC1CCCCC1 ZINC000075649196 334048189 /nfs/dbraw/zinc/04/81/89/334048189.db2.gz LTTLWRMSEUTOSC-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN CC[C@H](C)CN(C)CC(=O)Nc1sc(C)c(C)c1C ZINC000075720982 334049470 /nfs/dbraw/zinc/04/94/70/334049470.db2.gz RWTXXHUKECMYAR-JTQLQIEISA-N 0 1 282.453 3.590 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cccc(OC(F)F)c2)nc1 ZINC000133958857 334075216 /nfs/dbraw/zinc/07/52/16/334075216.db2.gz CBINMSTWDUETIB-GFCCVEGCSA-N 0 1 292.329 3.842 20 0 CHADMN Cc1ccccc1-c1nc(CN2C[C@H]3CCCC[C@@H]3C2)no1 ZINC000134090126 334079778 /nfs/dbraw/zinc/07/97/78/334079778.db2.gz WJCFQKLKUKPJJU-HUUCEWRRSA-N 0 1 297.402 3.667 20 0 CHADMN CO[C@@]1(C)C[C@H](NCc2csc(C(C)(C)C)n2)C1(C)C ZINC000237162042 334082656 /nfs/dbraw/zinc/08/26/56/334082656.db2.gz ILPMJDHYRSIGKM-LRDDRELGSA-N 0 1 296.480 3.734 20 0 CHADMN CCc1nnc([C@@H](C)N2C[C@H](c3ccccc3)C(C)(C)C2)o1 ZINC000134274264 334086351 /nfs/dbraw/zinc/08/63/51/334086351.db2.gz XQNWYPVLDYQDOC-UKRRQHHQSA-N 0 1 299.418 3.819 20 0 CHADMN CCc1ccc(CC)c(NC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000134443723 334090856 /nfs/dbraw/zinc/09/08/56/334090856.db2.gz URFLJIYGUFVKAT-CQSZACIVSA-N 0 1 297.402 3.593 20 0 CHADMN C[C@H](Cc1ccccc1)C(=O)Nc1cccc(Cl)c1O ZINC000077011160 334093403 /nfs/dbraw/zinc/09/34/03/334093403.db2.gz UPBAOKOTIKKHTJ-LLVKDONJSA-N 0 1 289.762 3.863 20 0 CHADMN Cc1cc(-c2noc([C@H](C)NCCC3CC3)n2)ccc1F ZINC000547509205 334096308 /nfs/dbraw/zinc/09/63/08/334096308.db2.gz XRDIPMYHVRLVQC-NSHDSACASA-N 0 1 289.354 3.635 20 0 CHADMN Cc1cc(OCc2c(Cl)cccc2[N+](=O)[O-])cc(C)n1 ZINC000547631542 334104371 /nfs/dbraw/zinc/10/43/71/334104371.db2.gz UNFLBTIPILYAHF-UHFFFAOYSA-N 0 1 292.722 3.839 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2ccc(F)cc2Br)C1 ZINC000134968786 334109846 /nfs/dbraw/zinc/10/98/46/334109846.db2.gz BFGHOBPHBWJMNH-ZJUUUORDSA-N 0 1 286.188 3.819 20 0 CHADMN CCOc1ccc(C(C)=O)cc1C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000134969445 334110002 /nfs/dbraw/zinc/11/00/02/334110002.db2.gz BYLPGTURBCCXJS-STQMWFEESA-N 0 1 275.392 3.518 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1C[C@@H](C)C[C@@H]1C ZINC000134969445 334110004 /nfs/dbraw/zinc/11/00/04/334110004.db2.gz BYLPGTURBCCXJS-STQMWFEESA-N 0 1 275.392 3.518 20 0 CHADMN COc1ccc(Br)cc1C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000134970777 334110073 /nfs/dbraw/zinc/11/00/73/334110073.db2.gz MMIVEIHYOYBNCN-QWRGUYRKSA-N 0 1 298.224 3.688 20 0 CHADMN COc1ccc(Br)cc1CN1C[C@@H](C)C[C@@H]1C ZINC000134970777 334110075 /nfs/dbraw/zinc/11/00/75/334110075.db2.gz MMIVEIHYOYBNCN-QWRGUYRKSA-N 0 1 298.224 3.688 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)N(C)CCC1CC1 ZINC000135258863 334121983 /nfs/dbraw/zinc/12/19/83/334121983.db2.gz YVKUNORSYVZJEK-SNVBAGLBSA-N 0 1 277.393 3.591 20 0 CHADMN CN(CCC1CC1)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000135265996 334122768 /nfs/dbraw/zinc/12/27/68/334122768.db2.gz KVDTYVCQIRBOBJ-UHFFFAOYSA-N 0 1 291.782 3.622 20 0 CHADMN Cc1cc(CN2CCC[C@H]2CCCc2ccccc2)no1 ZINC000135366287 334127876 /nfs/dbraw/zinc/12/78/76/334127876.db2.gz KAIDFHYWIOICCU-GOSISDBHSA-N 0 1 284.403 3.970 20 0 CHADMN Cc1cccc(CNCc2cc(F)c(F)cc2F)c1 ZINC000135839384 334139790 /nfs/dbraw/zinc/13/97/90/334139790.db2.gz NOJLVYKTZOLOBB-UHFFFAOYSA-N 0 1 265.278 3.702 20 0 CHADMN c1cc2c(s1)CCN(CCSc1ccccc1)C2 ZINC000078738987 334140087 /nfs/dbraw/zinc/14/00/87/334140087.db2.gz OYWRIWHBXAAHIH-UHFFFAOYSA-N 0 1 275.442 3.899 20 0 CHADMN CC/C=C\CCN(CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000342231760 335178426 /nfs/dbraw/zinc/17/84/26/335178426.db2.gz MXRHBYYLMFEAIK-WAYWQWQTSA-N 0 1 285.391 3.514 20 0 CHADMN COC[C@@H](NCc1ccc(F)cc1C)c1ccc(F)cc1 ZINC000548161165 334144037 /nfs/dbraw/zinc/14/40/37/334144037.db2.gz WJSUNVFPHZPSHX-QGZVFWFLSA-N 0 1 291.341 3.751 20 0 CHADMN Cc1cccc(CNCc2cc(Cl)cc3c2OCC3)c1 ZINC000136387536 334153555 /nfs/dbraw/zinc/15/35/55/334153555.db2.gz WLFPZACBOXHFJT-UHFFFAOYSA-N 0 1 287.790 3.873 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc2ncccc2c1 ZINC000136451164 334155136 /nfs/dbraw/zinc/15/51/36/334155136.db2.gz YBEFVWVWQDLMDV-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000136475011 334156017 /nfs/dbraw/zinc/15/60/17/334156017.db2.gz OZDVMWXUDYJISN-UHFFFAOYSA-N 0 1 295.745 3.886 20 0 CHADMN C[C@@H](NC[C@H](C)C(F)(F)F)c1cc(F)ccc1F ZINC000548485361 334159681 /nfs/dbraw/zinc/15/96/81/334159681.db2.gz KIOPCOCXFAFUMV-JGVFFNPUSA-N 0 1 267.241 3.814 20 0 CHADMN CCCCN(C)[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000079806640 334162620 /nfs/dbraw/zinc/16/26/20/334162620.db2.gz GUVRVCWAIFSNDZ-GFCCVEGCSA-N 0 1 291.370 3.977 20 0 CHADMN COC[C@@H](NC/C=C/c1ccccc1)c1ccc(C)o1 ZINC000080238640 334168201 /nfs/dbraw/zinc/16/82/01/334168201.db2.gz YSNKTTRPJOHYJS-YXMGTMDOSA-N 0 1 271.360 3.579 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cc3nnc(C4CC4)o3)C2)c(C)c1 ZINC000548756098 334169943 /nfs/dbraw/zinc/16/99/43/334169943.db2.gz PYIFHJIQDFXEOU-OAHLLOKOSA-N 0 1 297.402 3.553 20 0 CHADMN Cc1ccc([C@H](C)NC(=O)c2cc(F)cc3nc[nH]c32)cc1 ZINC000080333760 334170612 /nfs/dbraw/zinc/17/06/12/334170612.db2.gz DHIZOQFXPFARQG-NSHDSACASA-N 0 1 297.333 3.501 20 0 CHADMN CC[C@H](C)[C@@H](C)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000080466793 334171903 /nfs/dbraw/zinc/17/19/03/334171903.db2.gz OUBFGEQEPKWVJW-MJBXVCDLSA-N 0 1 287.407 3.746 20 0 CHADMN CC(C)C[C@H]1CCN(Cc2nc(Cc3ccccc3)no2)C1 ZINC000080643281 334172779 /nfs/dbraw/zinc/17/27/79/334172779.db2.gz YKMFPSFIJXCZDN-MRXNPFEDSA-N 0 1 299.418 3.528 20 0 CHADMN Cc1ccccc1[C@H]1CN(CCSC(C)C)[C@@H](C)CO1 ZINC000548919698 334180431 /nfs/dbraw/zinc/18/04/31/334180431.db2.gz SNBIEMPLBKCMBP-DOTOQJQBSA-N 0 1 293.476 3.898 20 0 CHADMN FC(F)(F)CCN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000549168030 334187001 /nfs/dbraw/zinc/18/70/01/334187001.db2.gz JJLBAAZFNATZOT-SECBINFHSA-N 0 1 289.263 3.993 20 0 CHADMN CCc1ccc(CSc2nc3ccc(OC)cc3[nH]2)nc1 ZINC000549300915 334189686 /nfs/dbraw/zinc/18/96/86/334189686.db2.gz ZGVYSIGCWPDHQA-UHFFFAOYSA-N 0 1 299.399 3.821 20 0 CHADMN CCOC[C@H]1CCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000081520650 334194071 /nfs/dbraw/zinc/19/40/71/334194071.db2.gz WMDQBVHRHJQVOI-NSHDSACASA-N 0 1 288.218 3.852 20 0 CHADMN CCOC[C@@H]1CCCN([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000245470467 334195740 /nfs/dbraw/zinc/19/57/40/334195740.db2.gz MXFHMIHLPCZFHP-ZIAGYGMSSA-N 0 1 294.439 3.782 20 0 CHADMN CC(C)C[C@@H]1CCN([C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000245482731 334196538 /nfs/dbraw/zinc/19/65/38/334196538.db2.gz DLRMNJAVZJJUHY-OLZOCXBDSA-N 0 1 279.428 3.796 20 0 CHADMN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@@H]1C ZINC000245492896 334197101 /nfs/dbraw/zinc/19/71/01/334197101.db2.gz KKJIOIVJRBCPJK-WDEREUQCSA-N 0 1 291.782 3.935 20 0 CHADMN C[C@H](CN1CCOC[C@@H]1c1cccn1C)C1CCCCC1 ZINC000549556444 334197887 /nfs/dbraw/zinc/19/78/87/334197887.db2.gz YLZVBUYLDRDHJH-CRAIPNDOSA-N 0 1 290.451 3.615 20 0 CHADMN COc1ccc(F)c(CN[C@H]2CCc3c2cccc3C)c1 ZINC000549754522 334203879 /nfs/dbraw/zinc/20/38/79/334203879.db2.gz AHGNRNVECQZJNV-SFHVURJKSA-N 0 1 285.362 3.920 20 0 CHADMN CCCCN(Cc1noc(CC)n1)[C@H]1CCC[C@H](C)C1 ZINC000550000573 334211179 /nfs/dbraw/zinc/21/11/79/334211179.db2.gz LJGZTDXZSPEUQH-KBPBESRZSA-N 0 1 279.428 3.813 20 0 CHADMN Cc1ccc(CNCc2conc2Cc2ccccc2)cc1 ZINC000550075337 334212542 /nfs/dbraw/zinc/21/25/42/334212542.db2.gz XYUDAVKKPOQKAX-UHFFFAOYSA-N 0 1 292.382 3.864 20 0 CHADMN C[C@@H](c1ccccc1F)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000246977016 334273035 /nfs/dbraw/zinc/27/30/35/334273035.db2.gz JNICXGLDUHSFCY-QWHCGFSZSA-N 0 1 293.382 3.550 20 0 CHADMN COc1cccc(CN2C[C@H](C)[C@@H]2c2ccccc2)c1OC ZINC000245747584 334216937 /nfs/dbraw/zinc/21/69/37/334216937.db2.gz NDXHKWDPGUSXFO-KBXCAEBGSA-N 0 1 297.398 3.897 20 0 CHADMN C[C@H](c1ccccc1F)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000246977000 334273183 /nfs/dbraw/zinc/27/31/83/334273183.db2.gz JNICXGLDUHSFCY-CHWSQXEVSA-N 0 1 293.382 3.550 20 0 CHADMN C[C@@H]1CN(Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H]1C ZINC000550305647 334219678 /nfs/dbraw/zinc/21/96/78/334219678.db2.gz FKYKPXTXHBQBSW-HUUCEWRRSA-N 0 1 294.398 3.779 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Cl)c3cccnc23)[C@H]1C ZINC000550312501 334219915 /nfs/dbraw/zinc/21/99/15/334219915.db2.gz ZGPLCVURQCILKX-MNOVXSKESA-N 0 1 260.768 3.728 20 0 CHADMN CC[C@@H](F)CN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000550391332 334221651 /nfs/dbraw/zinc/22/16/51/334221651.db2.gz QMYJGDSAADRQFF-OCCSQVGLSA-N 0 1 271.763 3.541 20 0 CHADMN COc1cc([C@H](C)N[C@@H]2CCOc3c(C)cccc32)ccn1 ZINC000550903571 334233032 /nfs/dbraw/zinc/23/30/32/334233032.db2.gz BOQZICKGQPLMDF-XJKSGUPXSA-N 0 1 298.386 3.573 20 0 CHADMN COc1cc([C@@H](C)N[C@@H]2CCOc3c(C)cccc32)ccn1 ZINC000550903566 334233113 /nfs/dbraw/zinc/23/31/13/334233113.db2.gz BOQZICKGQPLMDF-CZUORRHYSA-N 0 1 298.386 3.573 20 0 CHADMN COC[C@H](N[C@H]1C=CCCCCC1)c1ccc(C)o1 ZINC000551060124 334237531 /nfs/dbraw/zinc/23/75/31/334237531.db2.gz QOVWODCENBKLRV-GJZGRUSLSA-N 0 1 263.381 3.754 20 0 CHADMN C[C@@H]1CN(C[C@H]2CCC(F)(F)C2)C[C@@H](c2ccccc2)O1 ZINC000551088730 334238329 /nfs/dbraw/zinc/23/83/29/334238329.db2.gz FUVLZDOLLAWBBX-YCPHGPKFSA-N 0 1 295.373 3.884 20 0 CHADMN COc1cccc2c1CCN(Cc1cc(C)c(O)c(C)c1)C2 ZINC000551334178 334247291 /nfs/dbraw/zinc/24/72/91/334247291.db2.gz QITXETSYBWZGQB-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN COc1ccc(-c2n[nH]c(SCCCCCF)n2)cc1 ZINC000551423309 334250150 /nfs/dbraw/zinc/25/01/50/334250150.db2.gz BGPWZBFNVCDQDW-UHFFFAOYSA-N 0 1 295.383 3.712 20 0 CHADMN C[C@@H]1CN(CCc2ccccc2)C[C@@H](c2ccsc2)O1 ZINC000246315050 334250327 /nfs/dbraw/zinc/25/03/27/334250327.db2.gz CUMVMOFWACJGFI-PBHICJAKSA-N 0 1 287.428 3.753 20 0 CHADMN C[C@H]1CN(CCC2CCCCC2)CCN1CC(F)(F)F ZINC000551588893 334255301 /nfs/dbraw/zinc/25/53/01/334255301.db2.gz BOKVTFYPOPIICG-ZDUSSCGKSA-N 0 1 292.389 3.525 20 0 CHADMN CCc1cccc(NC(=O)c2ccc3cncn3c2)c1CC ZINC000551652596 334256930 /nfs/dbraw/zinc/25/69/30/334256930.db2.gz MYZCSDGSNLNUOZ-UHFFFAOYSA-N 0 1 293.370 3.711 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@H](C)c2nccs2)C12CCCC2 ZINC000246846880 334270632 /nfs/dbraw/zinc/27/06/32/334270632.db2.gz HWSSWSIYDUSIDE-JHJVBQTASA-N 0 1 280.437 3.532 20 0 CHADMN COCCCCCN1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000247347710 334279463 /nfs/dbraw/zinc/27/94/63/334279463.db2.gz GLXQJRUWKUZIQI-WMZOPIPTSA-N 0 1 291.435 3.574 20 0 CHADMN CCCCOc1ccc(CN2CCC[C@H]2CF)cc1 ZINC000552129679 334292259 /nfs/dbraw/zinc/29/22/59/334292259.db2.gz DUIXWDVCCRVRGG-HNNXBMFYSA-N 0 1 265.372 3.799 20 0 CHADMN CC1(C)CN(Cc2c(F)ccc(O)c2F)[C@H]2CCC[C@@H]21 ZINC000552139451 334294159 /nfs/dbraw/zinc/29/41/59/334294159.db2.gz HYLQUAPHGRIWIM-AAEUAGOBSA-N 0 1 281.346 3.681 20 0 CHADMN C[C@@H](N[C@H]1CC[C@@H](C)C[C@H]1C)c1nc(C(C)(C)C)no1 ZINC000248571233 334306633 /nfs/dbraw/zinc/30/66/33/334306633.db2.gz RBMHRFOXWKEOIG-LPWJVIDDSA-N 0 1 279.428 3.842 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086783406 334315847 /nfs/dbraw/zinc/31/58/47/334315847.db2.gz XUPOEBHQOBTSIK-XHDPSFHLSA-N 0 1 281.783 3.588 20 0 CHADMN C[C@@H](CCN1CCO[C@@H](c2ccco2)C1)c1ccccc1 ZINC000248948991 334322703 /nfs/dbraw/zinc/32/27/03/334322703.db2.gz CVNNMALIQYBEHT-MAUKXSAKSA-N 0 1 285.387 3.847 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@@]2(C)CCCC[C@H]2O)cs1 ZINC000249051133 334325752 /nfs/dbraw/zinc/32/57/52/334325752.db2.gz WTWSORCCWNLMTA-JGGQBBKZSA-N 0 1 296.480 3.858 20 0 CHADMN CCC[C@@H](C)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000249261463 334330663 /nfs/dbraw/zinc/33/06/63/334330663.db2.gz HXFZXBOJCFFLQD-IUODEOHRSA-N 0 1 299.361 3.850 20 0 CHADMN CC[C@H](C)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000249273180 334330757 /nfs/dbraw/zinc/33/07/57/334330757.db2.gz LAWZLEUMTXBRRD-SMDDNHRTSA-N 0 1 287.325 3.877 20 0 CHADMN Cc1cc(CN2CCCC[C@H]2Cc2ccc(F)cc2)no1 ZINC000552526337 334333776 /nfs/dbraw/zinc/33/37/76/334333776.db2.gz WYENFZFLQXYVKE-KRWDZBQOSA-N 0 1 288.366 3.719 20 0 CHADMN CC[C@]1(CO)CCCN([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000249561320 334336627 /nfs/dbraw/zinc/33/66/27/334336627.db2.gz LRZBETHBONXEMN-WBMJQRKESA-N 0 1 283.362 3.510 20 0 CHADMN Cc1nc([C@H](C)NCCOc2ccc(C)cc2C)cs1 ZINC000552893936 334349879 /nfs/dbraw/zinc/34/98/79/334349879.db2.gz ATJVWIHPCGQPCY-ZDUSSCGKSA-N 0 1 290.432 3.798 20 0 CHADMN C[C@H](C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000251088075 334356133 /nfs/dbraw/zinc/35/61/33/334356133.db2.gz JPJNJBFNGFTFDH-DZUCGIPZSA-N 0 1 287.403 3.508 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000251100909 334356487 /nfs/dbraw/zinc/35/64/87/334356487.db2.gz MWLXTSANWTWRIB-QWHCGFSZSA-N 0 1 271.360 3.553 20 0 CHADMN Cc1ccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c(C)c1 ZINC000251137511 334357163 /nfs/dbraw/zinc/35/71/63/334357163.db2.gz BEKDCPCMYWSDPN-PVAVHDDUSA-N 0 1 287.403 3.521 20 0 CHADMN Cc1ccc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1C ZINC000251157944 334357365 /nfs/dbraw/zinc/35/73/65/334357365.db2.gz ISVLIXJPCPXTMK-ZACQAIPSSA-N 0 1 287.403 3.521 20 0 CHADMN Cc1noc(C)c1CCN1CCc2ccc(Cl)cc2C1 ZINC000090613002 334364849 /nfs/dbraw/zinc/36/48/49/334364849.db2.gz ZXZBGSILNFSWQM-UHFFFAOYSA-N 0 1 290.794 3.546 20 0 CHADMN Cc1ncsc1CCN1CCc2ccc(Cl)cc2C1 ZINC000090615715 334364949 /nfs/dbraw/zinc/36/49/49/334364949.db2.gz ATYCMOWCTIOJPR-UHFFFAOYSA-N 0 1 292.835 3.706 20 0 CHADMN CCCc1ccc([C@H](C)NCc2cccc(N(C)C)n2)cc1 ZINC000090851045 334368480 /nfs/dbraw/zinc/36/84/80/334368480.db2.gz GSJWZJQZNDUCJS-HNNXBMFYSA-N 0 1 297.446 3.951 20 0 CHADMN CCCC[C@H](COC)N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000091726600 334382394 /nfs/dbraw/zinc/38/23/94/334382394.db2.gz RNNSKZLDPMTZKW-QWHCGFSZSA-N 0 1 296.480 3.878 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cc(F)ccc3C)[nH]c2c1 ZINC000553473638 334387012 /nfs/dbraw/zinc/38/70/12/334387012.db2.gz FFPVVOUHSLQZTJ-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN CS[C@H]1CCCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000092064144 334393656 /nfs/dbraw/zinc/39/36/56/334393656.db2.gz YTRUFWMHHKVZBC-INIZCTEOSA-N 0 1 289.444 3.680 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cccc(C)c3F)[nH]c2c1 ZINC000553812407 334399700 /nfs/dbraw/zinc/39/97/00/334399700.db2.gz ZGUHKDPBMWTOHZ-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN CO[C@H](c1ccccc1)[C@H](C)N[C@@H](C)c1cscn1 ZINC000572543523 334419715 /nfs/dbraw/zinc/41/97/15/334419715.db2.gz MARPFEKEOSFVBG-HUBLWGQQSA-N 0 1 276.405 3.570 20 0 CHADMN C[C@H](N[C@H]1CCC1(C)C)c1ncc(C(C)(C)C)o1 ZINC000554406975 334428759 /nfs/dbraw/zinc/42/87/59/334428759.db2.gz SSCPOXLGLZMSBP-QWRGUYRKSA-N 0 1 250.386 3.811 20 0 CHADMN Cn1ccnc1[C@H](N[C@H]1CC[C@@H]1C1CCC1)c1ccccc1 ZINC000554727525 334449367 /nfs/dbraw/zinc/44/93/67/334449367.db2.gz MMAYTMCGMVCUHT-FGTMMUONSA-N 0 1 295.430 3.678 20 0 CHADMN CCCC[C@@H](CC)CNC1(c2noc(C)n2)CCCC1 ZINC000555059254 334466976 /nfs/dbraw/zinc/46/69/76/334466976.db2.gz KITDZUOJTQDAMD-CQSZACIVSA-N 0 1 279.428 3.953 20 0 CHADMN CCn1c(CNc2cc3c(cn2)CCC3)nc2ccccc21 ZINC000555636404 334485746 /nfs/dbraw/zinc/48/57/46/334485746.db2.gz GWFTVNUANMGHEB-UHFFFAOYSA-N 0 1 292.386 3.552 20 0 CHADMN CC(C)[C@@H](CCc1ccccc1)NCC(C)(F)F ZINC000556221372 334500970 /nfs/dbraw/zinc/50/09/70/334500970.db2.gz NVEPYNOCPFQOBE-CQSZACIVSA-N 0 1 255.352 3.889 20 0 CHADMN CC[C@@H](N[C@@H]1CCC[C@@H]1F)c1cc(C)ccc1OC ZINC000556261994 334504747 /nfs/dbraw/zinc/50/47/47/334504747.db2.gz ZNWNPZQJKLTKHS-RRFJBIMHSA-N 0 1 265.372 3.935 20 0 CHADMN C[C@@H]1CCN[C@@H](c2nc(-c3cccc4ccccc43)no2)C1 ZINC000262515447 334552826 /nfs/dbraw/zinc/55/28/26/334552826.db2.gz NMBIQOTYBOQJHY-MLGOLLRUSA-N 0 1 293.370 3.950 20 0 CHADMN Cc1cccc(C)c1CN[C@@H](c1ccccc1F)[C@H](C)O ZINC000565839158 334601862 /nfs/dbraw/zinc/60/18/62/334601862.db2.gz XNTYXQJBVDUNJU-KBXCAEBGSA-N 0 1 287.378 3.654 20 0 CHADMN Fc1cccc(CN2CCC(C3CCOCC3)CC2)c1F ZINC000153655710 334676001 /nfs/dbraw/zinc/67/60/01/334676001.db2.gz ZDOMRRXBJYANKQ-UHFFFAOYSA-N 0 1 295.373 3.603 20 0 CHADMN CCCOc1ncccc1CN[C@H]1CCc2ccc(C)cc21 ZINC000154719683 334703672 /nfs/dbraw/zinc/70/36/72/334703672.db2.gz NXKDIUUCRDKFEM-SFHVURJKSA-N 0 1 296.414 3.956 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNCc2ccc3cnn(C)c3c2)o1 ZINC000567555082 334732651 /nfs/dbraw/zinc/73/26/51/334732651.db2.gz UKEAKEVWANANFZ-MLGOLLRUSA-N 0 1 295.386 3.580 20 0 CHADMN Cc1nc2cc(NC3CCC4(CCCO4)CC3)ccc2n1C ZINC000568342944 334816661 /nfs/dbraw/zinc/81/66/61/334816661.db2.gz XPFSCMKRYHXSTR-UHFFFAOYSA-N 0 1 299.418 3.785 20 0 CHADMN CCOc1c(Cl)cccc1CN1C2CCC1CC2 ZINC000569193796 334860612 /nfs/dbraw/zinc/86/06/12/334860612.db2.gz GJMAEOWNGNORFA-UHFFFAOYSA-N 0 1 265.784 3.866 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@@H]3C[C@@H]3C3CCCCC3)c2[nH]1 ZINC000576371317 335195806 /nfs/dbraw/zinc/19/58/06/335195806.db2.gz JEORUMHFRSPDBW-GDBMZVCRSA-N 0 1 297.402 3.570 20 0 CHADMN Cc1oc([C@H](C)[N@H+]2CCCC(C)(C)CC2)cc1C(=O)[O-] ZINC000576405292 335199799 /nfs/dbraw/zinc/19/97/99/335199799.db2.gz IXGRKMJDEBYKAN-NSHDSACASA-N 0 1 279.380 3.859 20 0 CHADMN CCc1ccc(CN(C)Cc2cc(C)cc(C)c2)nc1 ZINC000576490806 335211158 /nfs/dbraw/zinc/21/11/58/335211158.db2.gz XVELILWQODZENY-UHFFFAOYSA-N 0 1 268.404 3.893 20 0 CHADMN CCCCCN(C(=O)[C@H](C)Cc1cnc[nH]1)[C@@H](C)CCC ZINC000576528684 335215706 /nfs/dbraw/zinc/21/57/06/335215706.db2.gz KRWOGVDHNAMYDJ-CABCVRRESA-N 0 1 293.455 3.796 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCC[C@@H]2c2ccsc2)cs1 ZINC000576589712 335223529 /nfs/dbraw/zinc/22/35/29/335223529.db2.gz BUHNSNUEGOGQNR-GFCCVEGCSA-N 0 1 293.413 3.845 20 0 CHADMN CC(C)(NCc1cnc(-c2ccccc2)[nH]1)c1nccs1 ZINC000175996487 335227107 /nfs/dbraw/zinc/22/71/07/335227107.db2.gz UJXUBMDSMMUAOU-UHFFFAOYSA-N 0 1 298.415 3.558 20 0 CHADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000576643219 335229948 /nfs/dbraw/zinc/22/99/48/335229948.db2.gz RUKUPBBXYJVNQV-WPTTZPOMSA-N 0 1 293.794 3.540 20 0 CHADMN CC(C)(C)c1csc(CN2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC000176170591 335247526 /nfs/dbraw/zinc/24/75/26/335247526.db2.gz CDZORYBARPKEAY-PHIMTYICSA-N 0 1 264.438 3.528 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CC2(CC(=O)[O-])CC2)o1 ZINC000576950789 335268497 /nfs/dbraw/zinc/26/84/97/335268497.db2.gz NSTGXOCIYVNNTM-TZMCWYRMSA-N 0 1 291.391 3.616 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000580561384 335281656 /nfs/dbraw/zinc/28/16/56/335281656.db2.gz XILXVBICJWZLPT-LRDDRELGSA-N 0 1 293.382 3.925 20 0 CHADMN C[C@@]1(Cc2cccc(F)c2)CCCN1Cc1cscn1 ZINC000580645364 335310475 /nfs/dbraw/zinc/31/04/75/335310475.db2.gz XYSSNTICTVUSBW-INIZCTEOSA-N 0 1 290.407 3.879 20 0 CHADMN CC(C)(C)C[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000580652590 335312107 /nfs/dbraw/zinc/31/21/07/335312107.db2.gz JKZMQMCAYLKJJR-CQSZACIVSA-N 0 1 293.382 3.925 20 0 CHADMN O=C([O-])[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000577184192 335318563 /nfs/dbraw/zinc/31/85/63/335318563.db2.gz LNYZCQSLDAAHNC-UKRRQHHQSA-N 0 1 287.384 3.711 20 0 CHADMN O=C([O-])[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000577184188 335318575 /nfs/dbraw/zinc/31/85/75/335318575.db2.gz LNYZCQSLDAAHNC-DZGCQCFKSA-N 0 1 287.384 3.711 20 0 CHADMN CC(C)[N@@H+](CC[C@@H](C(=O)[O-])c1ccccc1)CC1CCC1 ZINC000577184761 335318616 /nfs/dbraw/zinc/31/86/16/335318616.db2.gz RLLOEKWIHQWREM-QGZVFWFLSA-N 0 1 289.419 3.755 20 0 CHADMN F[C@@H]1CCCN(Cc2cccc(-c3ccncc3)c2)C1 ZINC000577226262 335326281 /nfs/dbraw/zinc/32/62/81/335326281.db2.gz FLXWOXAFWNMREI-QGZVFWFLSA-N 0 1 270.351 3.683 20 0 CHADMN CC(C)C[N@@H+](CCCc1ccc(Cl)cc1)CCC(=O)[O-] ZINC000577380527 335345255 /nfs/dbraw/zinc/34/52/55/335345255.db2.gz AXZVILBEUXYYBH-UHFFFAOYSA-N 0 1 297.826 3.705 20 0 CHADMN Cc1ccc(C)c([C@H](C)[N@@H+](C)Cc2ccc(C(=O)[O-])o2)c1 ZINC000577404241 335349360 /nfs/dbraw/zinc/34/93/60/335349360.db2.gz HKRAKFIKLXGALZ-ZDUSSCGKSA-N 0 1 287.359 3.788 20 0 CHADMN O=C([O-])c1cc(C[N@@H+](CC2CCCCC2)C2CC2)cs1 ZINC000577499742 335360087 /nfs/dbraw/zinc/36/00/87/335360087.db2.gz JHRDSFYOTRMULK-UHFFFAOYSA-N 0 1 293.432 3.991 20 0 CHADMN Cc1noc([C@H](C)N[C@H]2CCC[C@@H]2CCc2ccccc2)n1 ZINC000577561692 335368736 /nfs/dbraw/zinc/36/87/36/335368736.db2.gz ICGWZTCXBZTNNR-XKQJLSEDSA-N 0 1 299.418 3.830 20 0 CHADMN CC(=O)[C@@H](Sc1nc2ccc(C)cc2[nH]1)C(C)C ZINC000577728611 335393280 /nfs/dbraw/zinc/39/32/80/335393280.db2.gz LRWVAVFGSCEVEP-ZDUSSCGKSA-N 0 1 262.378 3.577 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000577760499 335398463 /nfs/dbraw/zinc/39/84/63/335398463.db2.gz FOOMDRGSWTYQFT-NQBHXWOUSA-N 0 1 279.405 3.599 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000577760538 335398467 /nfs/dbraw/zinc/39/84/67/335398467.db2.gz GSGQFVCCPSLENK-OAHLLOKOSA-N 0 1 277.408 3.669 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@H](C)c1cncnc1C ZINC000577767902 335399734 /nfs/dbraw/zinc/39/97/34/335399734.db2.gz OUSKELOCRURBIZ-UONOGXRCSA-N 0 1 285.391 3.514 20 0 CHADMN Cc1nc2scc(C3CC3)n2c1CN1C2CCC1CC2 ZINC000577824767 335406895 /nfs/dbraw/zinc/40/68/95/335406895.db2.gz KRFSHOYFOLPIFZ-UHFFFAOYSA-N 0 1 287.432 3.708 20 0 CHADMN COc1cc(CN[C@H](C)c2ccoc2)c2ccccc2n1 ZINC000177987237 335407687 /nfs/dbraw/zinc/40/76/87/335407687.db2.gz YAYFBQWXECKZEA-GFCCVEGCSA-N 0 1 282.343 3.687 20 0 CHADMN CC(C)C(=O)Nc1ccc(CN[C@@H](C)c2ccoc2)cc1 ZINC000178481396 335433934 /nfs/dbraw/zinc/43/39/34/335433934.db2.gz RWXUUIDQKGEZKZ-ZDUSSCGKSA-N 0 1 286.375 3.725 20 0 CHADMN CC1CCC(c2noc(-c3ccc4cncn4c3)n2)CC1 ZINC000350023798 335490156 /nfs/dbraw/zinc/49/01/56/335490156.db2.gz MMCLFDLDXNLMPC-UHFFFAOYSA-N 0 1 282.347 3.678 20 0 CHADMN C[C@@H](c1nc(C2CCSCC2)no1)N1[C@H](C)CC[C@H]1C ZINC000350884105 335544314 /nfs/dbraw/zinc/54/43/14/335544314.db2.gz SNBYZBAZRKKVHO-UTUOFQBUSA-N 0 1 295.452 3.614 20 0 CHADMN COc1ccc(C2(N[C@@H](C)c3cc(C)ccn3)CC2)cc1 ZINC000578492339 335640547 /nfs/dbraw/zinc/64/05/47/335640547.db2.gz JABLRFFWTMNCSN-AWEZNQCLSA-N 0 1 282.387 3.739 20 0 CHADMN CC1(C)CC[C@@H]1N[C@H](CO)c1c(Cl)cccc1Cl ZINC000578560021 335649598 /nfs/dbraw/zinc/64/95/98/335649598.db2.gz RCSPJMQLBMXBFO-NEPJUHHUSA-N 0 1 288.218 3.805 20 0 CHADMN CO[C@@H]1[C@H](C)[C@@H](N[C@H](C)c2ncc(C(C)(C)C)o2)C1(C)C ZINC000579021064 335701509 /nfs/dbraw/zinc/70/15/09/335701509.db2.gz URFOFIYELHJCFD-HBJVGIJOSA-N 0 1 294.439 3.682 20 0 CHADMN OCCN[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000181887892 335789912 /nfs/dbraw/zinc/78/99/12/335789912.db2.gz MWRZZIJQOINAED-HNNXBMFYSA-N 0 1 296.197 3.665 20 0 CHADMN C[C@H](NC1(c2cccc(F)c2)CC1)c1ccncc1 ZINC000182219385 335804802 /nfs/dbraw/zinc/80/48/02/335804802.db2.gz MEDYVPBPNCHRPS-LBPRGKRZSA-N 0 1 256.324 3.561 20 0 CHADMN C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1nccn1C ZINC000182815732 335844923 /nfs/dbraw/zinc/84/49/23/335844923.db2.gz OVCAURNISPVINS-WBMJQRKESA-N 0 1 287.382 3.751 20 0 CHADMN C[C@H](N[C@@H]1c2cccc(F)c2CC[C@@H]1C)c1nccn1C ZINC000183084522 335861739 /nfs/dbraw/zinc/86/17/39/335861739.db2.gz YCOQRLWTLDWZRM-MKBNYLNASA-N 0 1 287.382 3.533 20 0 CHADMN CCCC[C@H](N[C@@H](C)c1nc(CC)no1)C1CCC1 ZINC000184874891 335938368 /nfs/dbraw/zinc/93/83/68/335938368.db2.gz ZEPCGZXCJJUDAT-AAEUAGOBSA-N 0 1 265.401 3.642 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1CCCCCC(=O)[O-] ZINC000581195303 336022703 /nfs/dbraw/zinc/02/27/03/336022703.db2.gz AVZJNCSGMSGXEN-ZIAGYGMSSA-N 0 1 255.402 3.532 20 0 CHADMN CCCN(Cc1ccc(F)cc1F)C[C@H]1CCCCO1 ZINC000195682532 336058259 /nfs/dbraw/zinc/05/82/59/336058259.db2.gz YTSJPHALZQYQSW-OAHLLOKOSA-N 0 1 283.362 3.746 20 0 CHADMN CCOCC[N@@H+](C)[C@H](CC)c1ccc(Cl)cc1 ZINC000195736678 336059079 /nfs/dbraw/zinc/05/90/79/336059079.db2.gz VNCKFKHPAQPARM-CQSZACIVSA-N 0 1 255.789 3.759 20 0 CHADMN COC(=O)c1cccc(CN2CC[C@@H](C)[C@H](C)C2)c1Cl ZINC000381702759 336071047 /nfs/dbraw/zinc/07/10/47/336071047.db2.gz PBBZIHWPDMWMHW-VXGBXAGGSA-N 0 1 295.810 3.605 20 0 CHADMN CC(C)(NC[C@H]1CCCCC1(F)F)c1nccs1 ZINC000382169279 336083559 /nfs/dbraw/zinc/08/35/59/336083559.db2.gz PSBQGKLLIHDICA-SNVBAGLBSA-N 0 1 274.380 3.793 20 0 CHADMN C[N@@H+](Cc1c2ccccc2sc1C(=O)[O-])C(C)(C)C ZINC000382245008 336085054 /nfs/dbraw/zinc/08/50/54/336085054.db2.gz JSHWRLKEZOCFPZ-UHFFFAOYSA-N 0 1 277.389 3.830 20 0 CHADMN C[C@@H]1C[C@H](C)N1Cc1cnc(-c2ccccc2F)s1 ZINC000581647782 336117319 /nfs/dbraw/zinc/11/73/19/336117319.db2.gz MXCQNHLPZVRRDN-PHIMTYICSA-N 0 1 276.380 3.932 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(CCc2ccccc2)no1 ZINC000386619550 336176859 /nfs/dbraw/zinc/17/68/59/336176859.db2.gz DBFSBZSHUMSMQC-CQSZACIVSA-N 0 1 287.407 3.552 20 0 CHADMN CSc1ccc([C@H](C)N[C@H](C)c2cncnc2C)cc1 ZINC000581954098 336178704 /nfs/dbraw/zinc/17/87/04/336178704.db2.gz JMMAWEGXIYXYJO-WCQYABFASA-N 0 1 287.432 3.919 20 0 CHADMN CC[C@H](C)[N@@H+](Cc1ccoc1C(=O)[O-])Cc1ccccc1 ZINC000387258749 336190574 /nfs/dbraw/zinc/19/05/74/336190574.db2.gz QZMCQXSRNDQLLE-ZDUSSCGKSA-N 0 1 287.359 3.779 20 0 CHADMN C[C@H]1CC[C@@H](NCc2nccs2)c2sccc21 ZINC000334667897 533715289 /nfs/dbraw/zinc/71/52/89/533715289.db2.gz WWNPVHUGLISHNI-GXSJLCMTSA-N 0 1 264.419 3.933 20 0 CHADMN CC(C)CCN[C@@H](c1nccs1)c1ccccc1 ZINC000236738288 519663961 /nfs/dbraw/zinc/66/39/61/519663961.db2.gz BARJWNXFKWUVSQ-CQSZACIVSA-N 0 1 260.406 3.868 20 0 CHADMN CCc1cnc(CN(C)CCCC(C)(C)C)s1 ZINC000337193822 522020616 /nfs/dbraw/zinc/02/06/16/522020616.db2.gz UZRZINNBKATWSO-UHFFFAOYSA-N 0 1 254.443 3.964 20 0 CHADMN COc1cccc([C@@H]2C[C@@H](C)CN2Cc2conc2C)c1 ZINC000352859162 533734900 /nfs/dbraw/zinc/73/49/00/533734900.db2.gz RIZDOWTUTMKMBB-PXAZEXFGSA-N 0 1 286.375 3.575 20 0 CHADMN Cc1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)o1 ZINC000352671290 533905698 /nfs/dbraw/zinc/90/56/98/533905698.db2.gz MQOGAOXDKDEUNL-QGZVFWFLSA-N 0 1 285.387 3.769 20 0 CHADMN C[C@H](NCc1ccc(-c2ccccc2)o1)c1cnn(C)c1 ZINC000344592442 533912751 /nfs/dbraw/zinc/91/27/51/533912751.db2.gz OKHCZLYNAMQQEW-ZDUSSCGKSA-N 0 1 281.359 3.531 20 0 CHADMN CCc1ncc(CN(C)Cc2cccc(C)c2C)s1 ZINC000353609317 522548443 /nfs/dbraw/zinc/54/84/43/522548443.db2.gz LJUOVVSGKSUSRJ-UHFFFAOYSA-N 0 1 274.433 3.954 20 0 CHADMN Cc1ccc(CNCc2cscc2C(F)(F)F)cn1 ZINC000352826104 534072959 /nfs/dbraw/zinc/07/29/59/534072959.db2.gz VUDRPZDBSOWAFP-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN COc1ccccc1C[C@H](C)Nc1cc2c(cn1)CCC2 ZINC000354542188 534119485 /nfs/dbraw/zinc/11/94/85/534119485.db2.gz OYGXFKSSQMYWGT-ZDUSSCGKSA-N 0 1 282.387 3.622 20 0 CHADMN CSc1ccc(CN2CCS[C@H](C)[C@@H]2C)s1 ZINC000356122349 534206547 /nfs/dbraw/zinc/20/65/47/534206547.db2.gz GRHWOUSSSMYACO-VHSXEESVSA-N 0 1 273.492 3.796 20 0 CHADMN CC(C)(C)Oc1ccc(CNCc2ccc(F)cn2)cc1 ZINC000529532908 517384972 /nfs/dbraw/zinc/38/49/72/517384972.db2.gz PXMWYCYQJGFIOL-UHFFFAOYSA-N 0 1 288.366 3.688 20 0 CHADMN CC(C)c1nc(CN[C@H]2C[C@H](C)CC[C@@H]2C(C)C)no1 ZINC000495419446 517491562 /nfs/dbraw/zinc/49/15/62/517491562.db2.gz BHUFXOFIXJAJCY-MCIONIFRSA-N 0 1 279.428 3.743 20 0 CHADMN CCc1noc([C@H](C)N[C@@H](C)C(C)(C)c2ccccc2)n1 ZINC000181796494 517871056 /nfs/dbraw/zinc/87/10/56/517871056.db2.gz LERZQAIQXDLICX-STQMWFEESA-N 0 1 287.407 3.649 20 0 CHADMN COC(=O)c1coc(CN[C@@H](C)c2c(C)cccc2C)c1 ZINC000355052744 534315624 /nfs/dbraw/zinc/31/56/24/534315624.db2.gz HYNSTDWSEPNIQG-ZDUSSCGKSA-N 0 1 287.359 3.534 20 0 CHADMN C[C@@H](NCc1cncn1C)c1ccc(-c2cccs2)cc1 ZINC000340175562 518178318 /nfs/dbraw/zinc/17/83/18/518178318.db2.gz NHJIKXFZDZOTGP-CYBMUJFWSA-N 0 1 297.427 3.999 20 0 CHADMN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1csc(C2CCCC2)n1 ZINC000528759696 518185173 /nfs/dbraw/zinc/18/51/73/518185173.db2.gz ZMOCVISCPXPZTN-NWJSVONSSA-N 0 1 294.464 3.702 20 0 CHADMN C/C(=C\C(C)(C)C)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000276681520 518436120 /nfs/dbraw/zinc/43/61/20/518436120.db2.gz IDKDGMHEHVYIQP-DHZHZOJOSA-N 0 1 271.364 3.802 20 0 CHADMN CC=C(C)C(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC000081621089 518478815 /nfs/dbraw/zinc/47/88/15/518478815.db2.gz BGPOIXUAXBDAAV-HYMFSAHRSA-N 0 1 285.391 3.733 20 0 CHADMN CC(C)(C)C[C@H](NCc1cc[nH]n1)c1ccccc1 ZINC000037128621 518688816 /nfs/dbraw/zinc/68/88/16/518688816.db2.gz SXAWRILBEMUFNV-HNNXBMFYSA-N 0 1 257.381 3.677 20 0 CHADMN CC(C)(C)[C@@H](NCc1cn2cccnc2n1)c1ccccc1 ZINC000097079241 518928415 /nfs/dbraw/zinc/92/84/15/518928415.db2.gz SGBGXMRBKVSORD-INIZCTEOSA-N 0 1 294.402 3.606 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cc2ncnn2-c2ccccc2)C1 ZINC000337221234 518941049 /nfs/dbraw/zinc/94/10/49/518941049.db2.gz CIYXNJUJWGAXLY-OAHLLOKOSA-N 0 1 298.434 3.525 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2scnc2C(C)(C)C)n1 ZINC000339395468 519230262 /nfs/dbraw/zinc/23/02/62/519230262.db2.gz QZRXHTMWXQTVKC-SECBINFHSA-N 0 1 294.424 3.537 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C[C@H](C)c2ccc(F)cc2)n1 ZINC000339398985 519236329 /nfs/dbraw/zinc/23/63/29/519236329.db2.gz XSAARPDASXVBIH-SMDDNHRTSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H]2Cc3ccccc3S2)n1 ZINC000339386555 519238458 /nfs/dbraw/zinc/23/84/58/519238458.db2.gz FRMYYOZNPGRTNV-DGCLKSJQSA-N 0 1 289.404 3.505 20 0 CHADMN C=Cn1cc(CN(Cc2ccc(F)cc2)C(C)C)cn1 ZINC000278207416 519321661 /nfs/dbraw/zinc/32/16/61/519321661.db2.gz JTARCMCRKPAOTJ-UHFFFAOYSA-N 0 1 273.355 3.533 20 0 CHADMN C=Cn1cc(CN(C)[C@H](CC)c2cccc(OC)c2)cn1 ZINC000289994271 519321892 /nfs/dbraw/zinc/32/18/92/519321892.db2.gz CLDZVJTVSWGYIS-QGZVFWFLSA-N 0 1 285.391 3.575 20 0 CHADMN CC(C)C[C@H](N)c1noc(CSc2ccc(F)cc2)n1 ZINC000339397183 519375370 /nfs/dbraw/zinc/37/53/70/519375370.db2.gz QKNDPWPISHYHLQ-LBPRGKRZSA-N 0 1 295.383 3.547 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000339397887 519378404 /nfs/dbraw/zinc/37/84/04/519378404.db2.gz UCOGZMYTSNSKMJ-ZANVPECISA-N 0 1 295.333 3.546 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H]2Cc3ccccc3S2)n1 ZINC000339386557 519381241 /nfs/dbraw/zinc/38/12/41/519381241.db2.gz FRMYYOZNPGRTNV-WCQYABFASA-N 0 1 289.404 3.505 20 0 CHADMN CC(C)N(C)CC(=O)Nc1ccccc1-c1cccs1 ZINC000299506784 519614972 /nfs/dbraw/zinc/61/49/72/519614972.db2.gz MAVSJKICNNDHFM-UHFFFAOYSA-N 0 1 288.416 3.694 20 0 CHADMN CC(C)CCCN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000125672475 519642368 /nfs/dbraw/zinc/64/23/68/519642368.db2.gz JGXPOEUPRPWYKM-OAHLLOKOSA-N 0 1 257.381 3.525 20 0 CHADMN CC(C)C[C@@H](C)NCc1ncc(C(F)(F)F)s1 ZINC000278585346 519773117 /nfs/dbraw/zinc/77/31/17/519773117.db2.gz GHFZGMBQNDCFBJ-MRVPVSSYSA-N 0 1 266.332 3.686 20 0 CHADMN CC(C)Oc1ccc(CN[C@H](C)c2ccco2)cc1 ZINC000037260170 519779844 /nfs/dbraw/zinc/77/98/44/519779844.db2.gz MOPSFUQXIQSPMZ-CYBMUJFWSA-N 0 1 259.349 3.918 20 0 CHADMN CC(C)Oc1cccc([C@H](C)NCc2ccco2)c1 ZINC000036997341 519783659 /nfs/dbraw/zinc/78/36/59/519783659.db2.gz NFJWDHBTKKECOJ-ZDUSSCGKSA-N 0 1 259.349 3.918 20 0 CHADMN CC(C)[C@@H](CN(C)Cc1ccon1)c1ccccc1 ZINC000280389995 519794098 /nfs/dbraw/zinc/79/40/98/519794098.db2.gz WSSCBHDBJDGGCM-MRXNPFEDSA-N 0 1 258.365 3.546 20 0 CHADMN CC(C)[C@@H](NCc1nccn1C(C)C)c1ccccc1 ZINC000299580374 519799282 /nfs/dbraw/zinc/79/92/82/519799282.db2.gz INDNHABWTLPYGN-QGZVFWFLSA-N 0 1 271.408 3.951 20 0 CHADMN CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1ccn[nH]1 ZINC000113076474 519824228 /nfs/dbraw/zinc/82/42/28/519824228.db2.gz FWLBBKQCUXFIGI-CQSZACIVSA-N 0 1 291.782 3.532 20 0 CHADMN CC(C)c1ccc(NC(=O)[C@@](C)(N)c2ccccc2)cc1 ZINC000052881096 519837602 /nfs/dbraw/zinc/83/76/02/519837602.db2.gz QNMKFLLFQUGVIR-SFHVURJKSA-N 0 1 282.387 3.623 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccc(F)cn1)[C@H](C)C2 ZINC000336175406 534452036 /nfs/dbraw/zinc/45/20/36/534452036.db2.gz URPABAQIBWOSSS-SJKOYZFVSA-N 0 1 270.351 3.552 20 0 CHADMN CCCCCCN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000125501763 520096035 /nfs/dbraw/zinc/09/60/35/520096035.db2.gz FQFNEBKZBCCWTA-HNNXBMFYSA-N 0 1 257.381 3.669 20 0 CHADMN Fc1ccc(CN[C@H]2CCCCc3ccccc32)nc1 ZINC000334859053 534469502 /nfs/dbraw/zinc/46/95/02/534469502.db2.gz BWFVMMGGMAJQEN-KRWDZBQOSA-N 0 1 270.351 3.778 20 0 CHADMN CC/C=C(\C)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000291405985 520194363 /nfs/dbraw/zinc/19/43/63/520194363.db2.gz XLDHXXTUFNCBCO-RMKNXTFCSA-N 0 1 273.336 3.581 20 0 CHADMN Fc1ccc(Cl)cc1CN1CCC[C@]2(CCCOC2)C1 ZINC000353750393 534476846 /nfs/dbraw/zinc/47/68/46/534476846.db2.gz HXHGUNAWYIOSSJ-INIZCTEOSA-N 0 1 297.801 3.872 20 0 CHADMN CCCOc1cc(CNCc2occc2C)ccc1OC ZINC000291775579 520306267 /nfs/dbraw/zinc/30/62/67/520306267.db2.gz UFEOTMKLHASYPC-UHFFFAOYSA-N 0 1 289.375 3.675 20 0 CHADMN CCCOc1ccc(CN[C@@H](C)c2ccco2)cc1OC ZINC000236837330 520371882 /nfs/dbraw/zinc/37/18/82/520371882.db2.gz IKRDHXFMDRDDNO-ZDUSSCGKSA-N 0 1 289.375 3.928 20 0 CHADMN CC1(C)CCN(Cc2nccn2Cc2ccccc2)CC1 ZINC000339257231 520381363 /nfs/dbraw/zinc/38/13/63/520381363.db2.gz NFQFKMSHWQSHLH-UHFFFAOYSA-N 0 1 283.419 3.553 20 0 CHADMN CCCCN(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000057832668 520396327 /nfs/dbraw/zinc/39/63/27/520396327.db2.gz RHCWRUNHYQPKQB-UHFFFAOYSA-N 0 1 289.206 3.664 20 0 CHADMN CCCOc1ccc([C@@H](C)N[C@H](C)c2nccnc2C)cc1 ZINC000275945804 520418028 /nfs/dbraw/zinc/41/80/28/520418028.db2.gz ZWUZUSYSCNSOTF-UKRRQHHQSA-N 0 1 299.418 3.986 20 0 CHADMN CCCCN(CC)CC(=O)Nc1c(C)cccc1Cl ZINC000130251456 520475400 /nfs/dbraw/zinc/47/54/00/520475400.db2.gz PBEMENWVERAFBV-UHFFFAOYSA-N 0 1 282.815 3.709 20 0 CHADMN CC1(C)CN(Cc2ccc3ccccc3n2)[C@H]1[C@H]1CCCO1 ZINC000289772708 520478603 /nfs/dbraw/zinc/47/86/03/520478603.db2.gz MENRGEBUWAMSSI-MSOLQXFVSA-N 0 1 296.414 3.624 20 0 CHADMN CCCOc1ncccc1CNCc1cccc2cc[nH]c21 ZINC000236982498 520501290 /nfs/dbraw/zinc/50/12/90/520501290.db2.gz YECFOOBHMYACDO-UHFFFAOYSA-N 0 1 295.386 3.642 20 0 CHADMN CC1(C)C[C@@H]1NCc1csc(-c2ccsc2)n1 ZINC000340412653 520543447 /nfs/dbraw/zinc/54/34/47/520543447.db2.gz AICFFBAQOLULQO-NSHDSACASA-N 0 1 264.419 3.760 20 0 CHADMN Cc1ccc2nc(CNCc3ccc4occc4c3)cn2c1 ZINC000352774308 534503583 /nfs/dbraw/zinc/50/35/83/534503583.db2.gz WTKHPHPEHMYCRU-UHFFFAOYSA-N 0 1 291.354 3.679 20 0 CHADMN Fc1ccc2c(c1)nccc2NCCCc1nccs1 ZINC000344431629 534504626 /nfs/dbraw/zinc/50/46/26/534504626.db2.gz KJGXHOKRAKQCFL-UHFFFAOYSA-N 0 1 287.363 3.875 20 0 CHADMN Cc1ccc2nc(CNCc3ccc([C@@H]4C[C@@H]4C)o3)[nH]c2c1 ZINC000344741630 534504936 /nfs/dbraw/zinc/50/49/36/534504936.db2.gz ODCGESCQLDXGMK-GXTWGEPZSA-N 0 1 295.386 3.878 20 0 CHADMN Fc1ccc2c(c1)nccc2N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000301678155 534507832 /nfs/dbraw/zinc/50/78/32/534507832.db2.gz UAIGIEGURAVAFZ-CKEIUWERSA-N 0 1 286.350 3.743 20 0 CHADMN Cc1ccc2ncc(CN3Cc4ccccc4C[C@@H]3C)n2c1 ZINC000353655773 534518170 /nfs/dbraw/zinc/51/81/70/534518170.db2.gz QLAQOKPHJGXSRC-HNNXBMFYSA-N 0 1 291.398 3.590 20 0 CHADMN CCN(CC)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000072590747 520820295 /nfs/dbraw/zinc/82/02/95/520820295.db2.gz WSRRZYHEAYGYPF-VIFPVBQESA-N 0 1 289.206 3.662 20 0 CHADMN c1nc(NC2CCC3(CCOCC3)CC2)cc2c1CCC2 ZINC000354540772 534531563 /nfs/dbraw/zinc/53/15/63/534531563.db2.gz NODQNTXASPQEQG-UHFFFAOYSA-N 0 1 286.419 3.722 20 0 CHADMN CCCC[C@@H](C)N(C)C(=O)c1cccc2[nH]c(C)nc21 ZINC000291940087 521003042 /nfs/dbraw/zinc/00/30/42/521003042.db2.gz DCKSOZJBQCWZTP-LLVKDONJSA-N 0 1 273.380 3.522 20 0 CHADMN CCOc1ccc(CNCc2ccc3ccccc3n2)cc1 ZINC000340404613 521005362 /nfs/dbraw/zinc/00/53/62/521005362.db2.gz BDHLZCSCICSUPB-UHFFFAOYSA-N 0 1 292.382 3.923 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN[C@H]1CSC[C@@H]1C ZINC000352791522 534532714 /nfs/dbraw/zinc/53/27/14/534532714.db2.gz IPNUOUWHEMYLKM-CABZTGNLSA-N 0 1 294.445 3.553 20 0 CHADMN Cc1ccc2oc(C(=O)Nc3ccc4nc[nH]c4c3)cc2c1 ZINC000352625963 534536289 /nfs/dbraw/zinc/53/62/89/534536289.db2.gz KUJZITXUUGMUMJ-UHFFFAOYSA-N 0 1 291.310 3.870 20 0 CHADMN CCC[C@](C)(CC)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000280257837 521264962 /nfs/dbraw/zinc/26/49/62/521264962.db2.gz USPCSAKSFMWYBP-INIZCTEOSA-N 0 1 291.370 3.535 20 0 CHADMN CCN(Cc1cc(F)cc(F)c1)[C@@H](C)c1cccnc1 ZINC000290514990 521291556 /nfs/dbraw/zinc/29/15/56/521291556.db2.gz PUNCDKBALUBFGF-LBPRGKRZSA-N 0 1 276.330 3.943 20 0 CHADMN CCN(Cc1ccc(C)nc1)[C@H](C)c1cccc(O)c1 ZINC000153771579 521305929 /nfs/dbraw/zinc/30/59/29/521305929.db2.gz YCTIYXPVMJLKDT-CQSZACIVSA-N 0 1 270.376 3.679 20 0 CHADMN CCOc1cccc(CNCc2ccccc2F)c1 ZINC000032110978 521366935 /nfs/dbraw/zinc/36/69/35/521366935.db2.gz KWQLSIGQZYHGCZ-UHFFFAOYSA-N 0 1 259.324 3.514 20 0 CHADMN CCOc1cccc(CN[C@@H]2CCCc3occc32)c1 ZINC000037678462 521370541 /nfs/dbraw/zinc/37/05/41/521370541.db2.gz ZKEKGLIZUXONCE-MRXNPFEDSA-N 0 1 271.360 3.846 20 0 CHADMN CCCc1ccc(-c2nc([C@H](N)CC(C)C)no2)cc1 ZINC000339363902 521387471 /nfs/dbraw/zinc/38/74/71/521387471.db2.gz RLPQMEITLMMZRK-CQSZACIVSA-N 0 1 273.380 3.735 20 0 CHADMN CCN(Cc1ccncc1)Cc1cc(F)ccc1C ZINC000275621550 521420421 /nfs/dbraw/zinc/42/04/21/521420421.db2.gz OQCZTGGSRWLSAO-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN CCN(Cc1nc(-c2cccs2)oc1C)C[C@@H](C)OC ZINC000291345120 521446652 /nfs/dbraw/zinc/44/66/52/521446652.db2.gz XEPDLMYBVDZIHP-LLVKDONJSA-N 0 1 294.420 3.568 20 0 CHADMN Cc1occc1CN(C)Cc1cc(C)c(O)c(C)c1 ZINC000347845257 534565367 /nfs/dbraw/zinc/56/53/67/534565367.db2.gz JANJNYDLBORRFD-UHFFFAOYSA-N 0 1 259.349 3.542 20 0 CHADMN CCC(CC)N(CC)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000292067378 521549631 /nfs/dbraw/zinc/54/96/31/521549631.db2.gz HDZYUBHWLXKUNU-UHFFFAOYSA-N 0 1 273.380 3.522 20 0 CHADMN CCOc1ccccc1NC(=O)c1cc(C)cc2cn[nH]c21 ZINC000338642631 521550793 /nfs/dbraw/zinc/55/07/93/521550793.db2.gz ZOBUSAPWVBDJIL-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@@H](C)c1cccnc1 ZINC000020127763 521572755 /nfs/dbraw/zinc/57/27/55/521572755.db2.gz PYISRBLGBTZSCM-UONOGXRCSA-N 0 1 270.376 3.892 20 0 CHADMN CCOc1ncccc1CN[C@@H]1CCc2c1cccc2C ZINC000151179541 521620383 /nfs/dbraw/zinc/62/03/83/521620383.db2.gz OZFOGJFLMNVWAF-QGZVFWFLSA-N 0 1 282.387 3.566 20 0 CHADMN CCOc1ncccc1CN[C@@H](C)c1ccc2c(c1)CCC2 ZINC000151185281 521620471 /nfs/dbraw/zinc/62/04/71/521620471.db2.gz HMSMYOLIRZLWKT-AWEZNQCLSA-N 0 1 296.414 3.820 20 0 CHADMN CCOc1ncccc1CN[C@@H]1CCCc2sccc21 ZINC000151207074 521620770 /nfs/dbraw/zinc/62/07/70/521620770.db2.gz JHTXZWDLNFUIJC-CQSZACIVSA-N 0 1 288.416 3.709 20 0 CHADMN CCOC1CC(CN2CCc3[nH]c4ccc(C)cc4c3C2)C1 ZINC000367553071 521647796 /nfs/dbraw/zinc/64/77/96/521647796.db2.gz KUKJVQBBNZSWDX-UHFFFAOYSA-N 0 1 298.430 3.650 20 0 CHADMN CCC1(C)CCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1 ZINC000263826968 521677598 /nfs/dbraw/zinc/67/75/98/521677598.db2.gz SKWOATZFXLYDNS-UHFFFAOYSA-N 0 1 298.386 3.593 20 0 CHADMN CCS[C@@H](C)c1noc(-c2ccc(O)c(Cl)c2)n1 ZINC000278125138 521721071 /nfs/dbraw/zinc/72/10/71/521721071.db2.gz PHYYGGOJMADRSW-ZETCQYMHSA-N 0 1 284.768 3.910 20 0 CHADMN CCS[C@@H](C)c1noc(CN[C@H]2CCCCC2(C)C)n1 ZINC000119826812 521722001 /nfs/dbraw/zinc/72/20/01/521722001.db2.gz YNPFCYARTFDDKF-RYUDHWBXSA-N 0 1 297.468 3.942 20 0 CHADMN CC[C@H](C)[C@@H](CN[C@H](c1ccccc1)c1ccccn1)OC ZINC000294349952 521825413 /nfs/dbraw/zinc/82/54/13/521825413.db2.gz ZDBUCVWLGUHQSA-KFKAGJAMSA-N 0 1 298.430 3.822 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2cc(F)ccc2C)n[nH]1 ZINC000277058074 522051749 /nfs/dbraw/zinc/05/17/49/522051749.db2.gz BHDAPYZSAXDYBQ-JQWIXIFHSA-N 0 1 290.386 3.617 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCC=Cc2ccccc2)n[nH]1 ZINC000277388738 522051834 /nfs/dbraw/zinc/05/18/34/522051834.db2.gz JIZMKICFRRCXAP-NNBBXFQRSA-N 0 1 284.407 3.682 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2cc(C)ccc2C)n[nH]1 ZINC000277159062 522054050 /nfs/dbraw/zinc/05/40/50/522054050.db2.gz GNTWELWDRXRFQV-GXTWGEPZSA-N 0 1 286.423 3.786 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2CCc3ccc(C)cc32)o1 ZINC000291912081 522207995 /nfs/dbraw/zinc/20/79/95/522207995.db2.gz MXUHYVVCQVQZHL-OAHLLOKOSA-N 0 1 270.376 3.631 20 0 CHADMN CCc1nc(C)c(CN[C@H](c2cccnc2)C2CCC2)o1 ZINC000291820409 522212577 /nfs/dbraw/zinc/21/25/77/522212577.db2.gz DJPRIPACWANGIA-KRWDZBQOSA-N 0 1 285.391 3.571 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(C(=O)c1cc(C(C)C)[nH]n1)C1CC1 ZINC000264100586 522285233 /nfs/dbraw/zinc/28/52/33/522285233.db2.gz AQVBLBGCXWYMNF-VXGBXAGGSA-N 0 1 277.412 3.572 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(C(=O)c1cccc2[nH]c(C)nc21)C1CC1 ZINC000338535222 522286465 /nfs/dbraw/zinc/28/64/65/522286465.db2.gz FXRJGYSLUMZASJ-VXGBXAGGSA-N 0 1 299.418 3.911 20 0 CHADMN Cc1sccc1CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000335957070 534627810 /nfs/dbraw/zinc/62/78/10/534627810.db2.gz BLDFNJFTVXQBJS-UHFFFAOYSA-N 0 1 299.754 3.736 20 0 CHADMN COC[C@@H](NCc1ccsc1C)c1ccc(F)cc1 ZINC000339289714 522368491 /nfs/dbraw/zinc/36/84/91/522368491.db2.gz GYRSYNUBZQHGTM-OAHLLOKOSA-N 0 1 279.380 3.673 20 0 CHADMN COC(=O)c1coc([C@H](C)N[C@H]2CCc3cc(C)ccc32)c1 ZINC000278375182 522380265 /nfs/dbraw/zinc/38/02/65/522380265.db2.gz CNPRAAQDMRKBTC-LRDDRELGSA-N 0 1 299.370 3.713 20 0 CHADMN CCc1nc([C@H](C)N[C@@H]2CCC(C)(C)c3ccccc32)n[nH]1 ZINC000280932291 522453367 /nfs/dbraw/zinc/45/33/67/522453367.db2.gz RUPWWTFVCNVQRA-SWLSCSKDSA-N 0 1 298.434 3.830 20 0 CHADMN COc1cc(Cl)c(CNC2CC(F)(F)C2)cc1Cl ZINC000277423120 522518651 /nfs/dbraw/zinc/51/86/51/522518651.db2.gz GTRWEVNJWAQPIZ-UHFFFAOYSA-N 0 1 296.144 3.889 20 0 CHADMN CC[C@@H](CN(CC)Cc1cocn1)c1ccccc1 ZINC000277437102 522528231 /nfs/dbraw/zinc/52/82/31/522528231.db2.gz JAYZWUMQMUOAIO-AWEZNQCLSA-N 0 1 258.365 3.690 20 0 CHADMN CC[C@H](NCc1nn(CC)c2ccccc12)c1ccncc1 ZINC000274408066 522673698 /nfs/dbraw/zinc/67/36/98/522673698.db2.gz HHPFUGQNYRQZPM-INIZCTEOSA-N 0 1 294.402 3.692 20 0 CHADMN CN(CCC1CC1)Cc1ccnc(Cl)c1Cl ZINC000290422471 522706388 /nfs/dbraw/zinc/70/63/88/522706388.db2.gz MJUKRUCGZXWNQN-UHFFFAOYSA-N 0 1 259.180 3.620 20 0 CHADMN COC[C@H](N[C@H]1CCc2c1cccc2F)c1ccccc1 ZINC000271522373 522769774 /nfs/dbraw/zinc/76/97/74/522769774.db2.gz VACCMTSRUJSOPD-ROUUACIJSA-N 0 1 285.362 3.790 20 0 CHADMN CC[C@@H](NCc1ccnc(C)n1)c1ccc(Cl)s1 ZINC000339256675 522887921 /nfs/dbraw/zinc/88/79/21/522887921.db2.gz LGNDNLVKQSAAQE-LLVKDONJSA-N 0 1 281.812 3.741 20 0 CHADMN CCc1noc(CC)c1CNCc1cccc2[nH]ccc21 ZINC000088745673 522895856 /nfs/dbraw/zinc/89/58/56/522895856.db2.gz HXFFWUJDBQCPPP-UHFFFAOYSA-N 0 1 283.375 3.571 20 0 CHADMN CCc1nocc1CN(C)c1ccnc2cc(F)ccc21 ZINC000338783522 522935218 /nfs/dbraw/zinc/93/52/18/522935218.db2.gz OTKAXAQCNVQQRB-UHFFFAOYSA-N 0 1 285.322 3.561 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccnn1C)c1ccc(Cl)s1 ZINC000278884770 522939040 /nfs/dbraw/zinc/93/90/40/522939040.db2.gz YEFKYFUYGSBVCZ-NXEZZACHSA-N 0 1 283.828 3.937 20 0 CHADMN CC[C@@H](N[C@H](C)c1nnc2ccccn21)c1ccccc1 ZINC000036969137 522939887 /nfs/dbraw/zinc/93/98/87/522939887.db2.gz MITVVBROHFVOEG-UKRRQHHQSA-N 0 1 280.375 3.531 20 0 CHADMN CC[C@H](c1ccccc1)[C@@H]1CCCN1Cc1noc(C)n1 ZINC000069679416 522946909 /nfs/dbraw/zinc/94/69/09/522946909.db2.gz QTIGZQPNSUGHEG-CVEARBPZSA-N 0 1 285.391 3.536 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1ccc(OC)c(F)c1 ZINC000130299123 522967969 /nfs/dbraw/zinc/96/79/69/522967969.db2.gz BCJJUVHKLBSDSO-MRXNPFEDSA-N 0 1 288.366 3.812 20 0 CHADMN COCc1ccc(CNCc2ccc([C@H]3C[C@@H]3C)o2)cc1 ZINC000078543876 522987789 /nfs/dbraw/zinc/98/77/89/522987789.db2.gz MLATXROJZUDLQR-GUYCJALGSA-N 0 1 285.387 3.839 20 0 CHADMN CC[C@H]1CCCC[C@H]1C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000280107175 523052015 /nfs/dbraw/zinc/05/20/15/523052015.db2.gz ANEDTTXMGBNLJK-VHSXEESVSA-N 0 1 285.338 3.811 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226455294 523091527 /nfs/dbraw/zinc/09/15/27/523091527.db2.gz QIPHBTLDERFNEZ-BBRMVZONSA-N 0 1 293.382 3.854 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)N(C)Cc1ccccn1 ZINC000264307851 523091599 /nfs/dbraw/zinc/09/15/99/523091599.db2.gz XODUFWGNIOVQHZ-INIZCTEOSA-N 0 1 258.340 3.804 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CC)CCCCC(=O)[O-] ZINC000262267114 523097875 /nfs/dbraw/zinc/09/78/75/523097875.db2.gz SCEKEASIPAIBFQ-HNNXBMFYSA-N 0 1 263.381 3.715 20 0 CHADMN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnc(C)[nH]1 ZINC000264853316 523102907 /nfs/dbraw/zinc/10/29/07/523102907.db2.gz NLLRWPQENMOBOA-RDJZCZTQSA-N 0 1 297.402 3.517 20 0 CHADMN CC[C@@H]1CCCC[C@H]1N(C)Cc1ncnn1-c1ccccc1 ZINC000337206629 523214462 /nfs/dbraw/zinc/21/44/62/523214462.db2.gz MXSHJSHNLFAJRI-NVXWUHKLSA-N 0 1 298.434 3.668 20 0 CHADMN Cc1cccc(CN(C)C/C=C/c2ccc(F)c(F)c2)n1 ZINC000347864881 534701256 /nfs/dbraw/zinc/70/12/56/534701256.db2.gz LXRYEOLXGYHBOE-GQCTYLIASA-N 0 1 288.341 3.813 20 0 CHADMN CO[C@@H](C)c1cccc(NC(=O)c2cccc3cn[nH]c32)c1 ZINC000339149272 523450748 /nfs/dbraw/zinc/45/07/48/523450748.db2.gz NUSIZNXTHXLMRB-NSHDSACASA-N 0 1 295.342 3.523 20 0 CHADMN CN(Cc1ccnc(Cl)c1Cl)C1CCCC1 ZINC000290479880 523454889 /nfs/dbraw/zinc/45/48/89/523454889.db2.gz QXHLSWWJBUPROO-UHFFFAOYSA-N 0 1 259.180 3.763 20 0 CHADMN CCn1cc([C@@H](C)N[C@@H](C)c2cc(C)oc2C)cn1 ZINC000044730083 523458764 /nfs/dbraw/zinc/45/87/64/523458764.db2.gz ABJSRLOSOYXPNH-NEPJUHHUSA-N 0 1 261.369 3.525 20 0 CHADMN CCn1cc([C@H](C)NCc2ccc(Cl)c(F)c2)cn1 ZINC000294742501 523471954 /nfs/dbraw/zinc/47/19/54/523471954.db2.gz CMEBJVUJOWVYNJ-JTQLQIEISA-N 0 1 281.762 3.546 20 0 CHADMN Cc1cccc(CN[C@H]2COCc3ccccc32)c1C ZINC000418100370 534717314 /nfs/dbraw/zinc/71/73/14/534717314.db2.gz PKKREEGBZUPHLL-SFHVURJKSA-N 0 1 267.372 3.665 20 0 CHADMN CN(Cc1csc(-c2ccoc2)n1)CC1CCC1 ZINC000111297762 523521559 /nfs/dbraw/zinc/52/15/59/523521559.db2.gz UEFFOYRHGQCMHX-UHFFFAOYSA-N 0 1 262.378 3.635 20 0 CHADMN CN(Cc1nnc(-c2ccccc2Cl)o1)CC(C)(C)C ZINC000263803813 523608139 /nfs/dbraw/zinc/60/81/39/523608139.db2.gz QZYOJFWHGLDLCW-UHFFFAOYSA-N 0 1 293.798 3.868 20 0 CHADMN CCc1cc(-c2nc([C@@H](N)CC(C)C)no2)sc1C ZINC000339391214 523735528 /nfs/dbraw/zinc/73/55/28/523735528.db2.gz LPOXFJFMEYXWQR-NSHDSACASA-N 0 1 279.409 3.715 20 0 CHADMN CCc1cc(Br)ccc1NCc1cn[nH]c1C ZINC000148098964 523744622 /nfs/dbraw/zinc/74/46/22/523744622.db2.gz FQENYOUTFIELFU-UHFFFAOYSA-N 0 1 294.196 3.655 20 0 CHADMN Cc1ncc(CN[C@@H]2CCCc3c(F)cccc32)s1 ZINC000336213398 534742417 /nfs/dbraw/zinc/74/24/17/534742417.db2.gz PRQLXFGWQNFSKY-OAHLLOKOSA-N 0 1 276.380 3.758 20 0 CHADMN CCc1ccc(C(C)(C)NCc2ccc(F)cn2)cc1 ZINC000276216259 523902032 /nfs/dbraw/zinc/90/20/32/523902032.db2.gz LKVJHZYPNVDNKD-UHFFFAOYSA-N 0 1 272.367 3.808 20 0 CHADMN CCc1ccc(CNC(C)(C)c2ccc(C)nc2)o1 ZINC000353191378 523941118 /nfs/dbraw/zinc/94/11/18/523941118.db2.gz QNTWJVVWHBGCMP-UHFFFAOYSA-N 0 1 258.365 3.570 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2cccc(F)c2)cc1O ZINC000080964250 524010276 /nfs/dbraw/zinc/01/02/76/524010276.db2.gz YWSXHXYHLHGYPZ-LBPRGKRZSA-N 0 1 289.350 3.733 20 0 CHADMN CCc1cccc(C)c1NC(=O)c1cccc2nc(C)[nH]c21 ZINC000338583009 524065841 /nfs/dbraw/zinc/06/58/41/524065841.db2.gz VLCZIQAQBLPPPK-UHFFFAOYSA-N 0 1 293.370 3.994 20 0 CHADMN CCc1cccc(CC)c1NC(=O)CN(C)CC(C)(C)C ZINC000263739210 524067749 /nfs/dbraw/zinc/06/77/49/524067749.db2.gz DYGIXINJWQXUBE-UHFFFAOYSA-N 0 1 290.451 3.728 20 0 CHADMN COc1ccc(CN[C@H](C)c2cccs2)c(OC)c1 ZINC000020148164 524090443 /nfs/dbraw/zinc/09/04/43/524090443.db2.gz INQSXGYSODTLFJ-LLVKDONJSA-N 0 1 277.389 3.616 20 0 CHADMN C[C@H]1CCC[C@@H](CC(=O)Nc2ccccc2-c2nnc[nH]2)C1 ZINC000364816605 524132757 /nfs/dbraw/zinc/13/27/57/524132757.db2.gz WZUWZYJPZXKUEV-QWHCGFSZSA-N 0 1 298.390 3.627 20 0 CHADMN C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000055391281 524162750 /nfs/dbraw/zinc/16/27/50/524162750.db2.gz LRJOMRCKFXBORV-ZWNOBZJWSA-N 0 1 281.783 3.696 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCCCC1 ZINC000070921422 524238161 /nfs/dbraw/zinc/23/81/61/524238161.db2.gz FEWQQPIKBYIAOG-OAHLLOKOSA-N 0 1 288.435 3.931 20 0 CHADMN C[C@H]1CCN(Cc2csc(-c3ccoc3)n2)[C@H]1C ZINC000248337154 524298444 /nfs/dbraw/zinc/29/84/44/524298444.db2.gz HHNIOVWYUXMXEZ-QWRGUYRKSA-N 0 1 262.378 3.633 20 0 CHADMN Cc1cccc(C2(NCc3ccnc(C)n3)CCCC2)c1 ZINC000339222992 524332406 /nfs/dbraw/zinc/33/24/06/524332406.db2.gz IFFGSSBRVWJNMB-UHFFFAOYSA-N 0 1 281.403 3.653 20 0 CHADMN Cc1cccc2c1OCC[C@H]2N[C@H](C)c1cncs1 ZINC000336583994 534782175 /nfs/dbraw/zinc/78/21/75/534782175.db2.gz CMFPEKKRBPDJNZ-DGCLKSJQSA-N 0 1 274.389 3.626 20 0 CHADMN C[C@@H]1CCN(Cc2ccncc2)[C@H](c2ccco2)C1 ZINC000076184753 524514629 /nfs/dbraw/zinc/51/46/29/524514629.db2.gz MDKCFIGFPOFWGA-HIFRSBDPSA-N 0 1 256.349 3.648 20 0 CHADMN Cc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1Cl ZINC000277635323 524610554 /nfs/dbraw/zinc/61/05/54/524610554.db2.gz CQWSVYDQOYBYJL-AWEZNQCLSA-N 0 1 275.783 3.539 20 0 CHADMN Cc1cc(CN(C2CC2)[C@H]2CCCc3ccccc32)ncn1 ZINC000292356180 524669734 /nfs/dbraw/zinc/66/97/34/524669734.db2.gz FEZPZJQKLZSGNT-IBGZPJMESA-N 0 1 293.414 3.827 20 0 CHADMN Cc1cc(CN2CCC(Cc3ccccc3F)CC2)on1 ZINC000264731430 524675258 /nfs/dbraw/zinc/67/52/58/524675258.db2.gz PQMMDYHMUPCWAN-UHFFFAOYSA-N 0 1 288.366 3.577 20 0 CHADMN Cc1cccc(NC[C@H]2CCCO[C@@H]2C(C)(C)C)n1 ZINC000157625287 524681938 /nfs/dbraw/zinc/68/19/38/524681938.db2.gz XIEQFYGGEQTLGZ-HIFRSBDPSA-N 0 1 262.397 3.643 20 0 CHADMN COc1ccccc1[C@@H](CC(C)C)N[C@@H](C)c1cn[nH]c1 ZINC000297581281 524731597 /nfs/dbraw/zinc/73/15/97/524731597.db2.gz HEAUSIXDGDHHEM-XJKSGUPXSA-N 0 1 287.407 3.856 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(Cl)cc2)nc(C)n1 ZINC000340624778 524766496 /nfs/dbraw/zinc/76/64/96/524766496.db2.gz YTIMMJJBMVEGHU-NSHDSACASA-N 0 1 275.783 3.598 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3c4ccccc4[nH]c32)on1 ZINC000087816404 524781887 /nfs/dbraw/zinc/78/18/87/524781887.db2.gz BGBMJVQUWIDOFO-INIZCTEOSA-N 0 1 281.359 3.632 20 0 CHADMN COc1ccc(OC)c(CN[C@H](C)c2cccs2)c1 ZINC000020148497 524838299 /nfs/dbraw/zinc/83/82/99/524838299.db2.gz PCHSYRPHMALCFA-LLVKDONJSA-N 0 1 277.389 3.616 20 0 CHADMN COc1ccncc1CN[C@H](c1ccccc1)C(C)C ZINC000340403212 524860118 /nfs/dbraw/zinc/86/01/18/524860118.db2.gz AFSPJTDCOHMRRO-KRWDZBQOSA-N 0 1 270.376 3.577 20 0 CHADMN COc1ccncc1CN[C@H]1CC[C@@H](C)c2ccccc21 ZINC000340408793 524860692 /nfs/dbraw/zinc/86/06/92/524860692.db2.gz QRGHNSLPFMYIOP-DYVFJYSZSA-N 0 1 282.387 3.818 20 0 CHADMN COc1ccsc1CNCc1coc2ccccc12 ZINC000339407788 524877997 /nfs/dbraw/zinc/87/79/97/524877997.db2.gz NNBOQLUJQSLSLB-UHFFFAOYSA-N 0 1 273.357 3.793 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)N2CCC[C@@H]2C)n1 ZINC000074991925 525021412 /nfs/dbraw/zinc/02/14/12/525021412.db2.gz XANWZYKMMCMRBP-QWHCGFSZSA-N 0 1 271.364 3.590 20 0 CHADMN O=C(NCCC1=CCCCCC1)c1cccc2nc[nH]c21 ZINC000344849990 534826133 /nfs/dbraw/zinc/82/61/33/534826133.db2.gz GZGWMAMXRGJXRL-UHFFFAOYSA-N 0 1 283.375 3.573 20 0 CHADMN COc1ncccc1CN[C@H](C)c1cc(C)sc1C ZINC000037650346 525064105 /nfs/dbraw/zinc/06/41/05/525064105.db2.gz RHYVZEVNCSOINW-LLVKDONJSA-N 0 1 276.405 3.619 20 0 CHADMN Cc1ccccc1CN[C@H](C)c1ccc(Cl)cn1 ZINC000274939911 525168694 /nfs/dbraw/zinc/16/86/94/525168694.db2.gz SQJZWLKNZHLDKO-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1ccc(NC(=O)c2ccc3cncn3c2)cc1Cl ZINC000339888832 525242027 /nfs/dbraw/zinc/24/20/27/525242027.db2.gz AXJGOFGWIFZSAF-UHFFFAOYSA-N 0 1 285.734 3.548 20 0 CHADMN Cc1ccc(N[C@@H](c2cccs2)c2nnc[nH]2)c(F)c1 ZINC000340346915 525311422 /nfs/dbraw/zinc/31/14/22/525311422.db2.gz RCXRLDJWXBERAB-ZDUSSCGKSA-N 0 1 288.351 3.515 20 0 CHADMN CSC1(CNCc2coc(-c3cccs3)n2)CCC1 ZINC000290798622 525334304 /nfs/dbraw/zinc/33/43/04/525334304.db2.gz DXMKEFWNDPDIMH-UHFFFAOYSA-N 0 1 294.445 3.778 20 0 CHADMN Cc1ccccc1SCc1nc([C@@H](N)CC(C)C)no1 ZINC000339385518 525340631 /nfs/dbraw/zinc/34/06/31/525340631.db2.gz PSTLUCWYNJTLNJ-LBPRGKRZSA-N 0 1 291.420 3.716 20 0 CHADMN COc1ccc([C@H](NCc2c(C)noc2C)C(C)C)cc1 ZINC000102536102 525370996 /nfs/dbraw/zinc/37/09/96/525370996.db2.gz SFPWAHPUPNKPHC-QGZVFWFLSA-N 0 1 288.391 3.787 20 0 CHADMN C[C@@H](NCCC(F)(F)F)c1c(F)cccc1F ZINC000063099071 525427924 /nfs/dbraw/zinc/42/79/24/525427924.db2.gz SQTXMLVPLPONCK-SSDOTTSWSA-N 0 1 253.214 3.568 20 0 CHADMN C[C@@H](NCCC(F)(F)F)c1ccccc1Cl ZINC000059313241 525431314 /nfs/dbraw/zinc/43/13/14/525431314.db2.gz YKBGVQSAGBGRCX-MRVPVSSYSA-N 0 1 251.679 3.943 20 0 CHADMN Cc1ccccc1[C@H]1CCN(Cc2nc(CC(C)C)no2)C1 ZINC000337681219 525440174 /nfs/dbraw/zinc/44/01/74/525440174.db2.gz HXTQLCMLORQBMJ-HNNXBMFYSA-N 0 1 299.418 3.566 20 0 CHADMN CSCCCN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000157611867 525449881 /nfs/dbraw/zinc/44/98/81/525449881.db2.gz WQPXZAQGJRSBQR-KRWDZBQOSA-N 0 1 286.444 3.646 20 0 CHADMN Cc1cc([C@@H](C)NCC(C)(C)c2ccc(F)cc2)no1 ZINC000284307407 525459463 /nfs/dbraw/zinc/45/94/63/525459463.db2.gz ZDTDOMIFULEZOB-GFCCVEGCSA-N 0 1 276.355 3.751 20 0 CHADMN C[C@H](NCc1ccccc1F)c1ccccc1N(C)C ZINC000093941244 525462816 /nfs/dbraw/zinc/46/28/16/525462816.db2.gz FQVQDFBVZZTGDY-ZDUSSCGKSA-N 0 1 272.367 3.743 20 0 CHADMN Cc1cc([C@@H](C)NCc2n[nH]c(C(C)(C)C)n2)c(C)s1 ZINC000293021501 525468180 /nfs/dbraw/zinc/46/81/80/525468180.db2.gz VJRRVMCYOPQFFI-SNVBAGLBSA-N 0 1 292.452 3.631 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](c2ccccc2)C(C)C)nn1C ZINC000281991604 525474868 /nfs/dbraw/zinc/47/48/68/525474868.db2.gz CNLBPQLEYYLVAF-PBHICJAKSA-N 0 1 271.408 3.776 20 0 CHADMN C[C@H](NCc1cncc(F)c1)c1ccc(OC(F)F)cc1 ZINC000275130271 525477762 /nfs/dbraw/zinc/47/77/62/525477762.db2.gz BTFKMPRVONRWRR-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN C[C@@H](NC[C@@H]1CCC=CO1)c1nc(C(F)(F)F)cs1 ZINC000275622495 525480099 /nfs/dbraw/zinc/48/00/99/525480099.db2.gz AGFXFEKQBYBSRG-BDAKNGLRSA-N 0 1 292.326 3.505 20 0 CHADMN COc1ccc2c(c1)C1(CC1)CN([C@@H](C)c1cccnc1)C2 ZINC000289424283 525508606 /nfs/dbraw/zinc/50/86/06/525508606.db2.gz CHRUGJGYFFNIJH-AWEZNQCLSA-N 0 1 294.398 3.699 20 0 CHADMN Cc1cc([C@H](C)NC[C@H](Nc2ccccc2)C(C)C)no1 ZINC000289856694 525519658 /nfs/dbraw/zinc/51/96/58/525519658.db2.gz RLJGKLPLVTUDBR-YOEHRIQHSA-N 0 1 287.407 3.770 20 0 CHADMN Cc1cc([C@H](C)NCc2ncccc2N(C)C)c(C)s1 ZINC000289945777 525522102 /nfs/dbraw/zinc/52/21/02/525522102.db2.gz WFJHBCLMPBUQJV-LBPRGKRZSA-N 0 1 289.448 3.677 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2NCc1nc(C)cs1 ZINC000038090583 525523954 /nfs/dbraw/zinc/52/39/54/525523954.db2.gz KKPOQYJTGBEHJB-OAHLLOKOSA-N 0 1 288.416 3.627 20 0 CHADMN C[C@@H](NCc1ccc(OC(F)F)cc1)c1ccccn1 ZINC000020123205 525528243 /nfs/dbraw/zinc/52/82/43/525528243.db2.gz UMXHIOKYCXEIBB-LLVKDONJSA-N 0 1 278.302 3.534 20 0 CHADMN C[C@H](N[C@@H]1CCCc2nn(C)cc21)c1ccccc1Cl ZINC000280072045 525563525 /nfs/dbraw/zinc/56/35/25/525563525.db2.gz LBZXSGXFWZGVBW-XHDPSFHLSA-N 0 1 289.810 3.802 20 0 CHADMN C[C@H](N[C@H]1CCC(C)(C)C[C@H]1C)c1nc(C2CC2)no1 ZINC000120904364 525604880 /nfs/dbraw/zinc/60/48/80/525604880.db2.gz DYCXCGGPKRDQTB-MDZLAQPJSA-N 0 1 277.412 3.812 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccc1F)c1cccc(O)c1 ZINC000037151468 525613851 /nfs/dbraw/zinc/61/38/51/525613851.db2.gz SDWKUKYAIOFPBX-NEPJUHHUSA-N 0 1 259.324 3.943 20 0 CHADMN C[C@H](N[C@H]1CCCc2nn(C)cc21)c1cc2ccccc2o1 ZINC000280186688 525614769 /nfs/dbraw/zinc/61/47/69/525614769.db2.gz RXUNALUOVLEFJI-WFASDCNBSA-N 0 1 295.386 3.895 20 0 CHADMN C[C@H](N[C@H]1CCCc2nn(C)cc21)c1ccccc1Cl ZINC000280072041 525615042 /nfs/dbraw/zinc/61/50/42/525615042.db2.gz LBZXSGXFWZGVBW-NHYWBVRUSA-N 0 1 289.810 3.802 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C)[C@H](C)c2cccs2)c1 ZINC000263801994 525630596 /nfs/dbraw/zinc/63/05/96/525630596.db2.gz LATQUKVNWHNMAW-LLVKDONJSA-N 0 1 299.399 3.766 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2sccc21)c1ccccn1 ZINC000061324999 525640826 /nfs/dbraw/zinc/64/08/26/525640826.db2.gz DYXSCPYCBMYNOW-BXUZGUMPSA-N 0 1 258.390 3.871 20 0 CHADMN C[C@@H](N[C@H](c1cnn(C)c1)c1ccccc1)c1cccs1 ZINC000366675389 525673498 /nfs/dbraw/zinc/67/34/98/525673498.db2.gz HSQKHSWLOYFLEG-DYVFJYSZSA-N 0 1 297.427 3.922 20 0 CHADMN COc1ccc2nc(SCCC3(OC)CCC3)[nH]c2c1 ZINC000338500295 525679302 /nfs/dbraw/zinc/67/93/02/525679302.db2.gz DTLYTHCFRCUKDS-UHFFFAOYSA-N 0 1 292.404 3.623 20 0 CHADMN Cc1ccnc([C@H](C)NCc2coc3ccccc23)c1 ZINC000340427264 525713068 /nfs/dbraw/zinc/71/30/68/525713068.db2.gz PJBNTYTZLVZCGU-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ncccc2N(C)C)c(C)c1 ZINC000290007972 525736121 /nfs/dbraw/zinc/73/61/21/525736121.db2.gz ZNIUPILDQFPKFK-OAHLLOKOSA-N 0 1 283.419 3.615 20 0 CHADMN CSCc1cccc(CN[C@H](C)c2ccncc2F)c1 ZINC000340500650 525740725 /nfs/dbraw/zinc/74/07/25/525740725.db2.gz VGNHEUWQTZJVHJ-GFCCVEGCSA-N 0 1 290.407 3.935 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc3c(c2)OCCO3)o1 ZINC000036960163 525746807 /nfs/dbraw/zinc/74/68/07/525746807.db2.gz HTUWSUWWHWUZEI-CHWSQXEVSA-N 0 1 287.359 3.771 20 0 CHADMN Cc1ccc(-c2ccc(CN[C@@H](C)c3cnn(C)c3)o2)cc1 ZINC000266157085 525750698 /nfs/dbraw/zinc/75/06/98/525750698.db2.gz MISKQYQQFGZOOI-AWEZNQCLSA-N 0 1 295.386 3.839 20 0 CHADMN Cc1ccc(-c2nc([C@H](N)CC(C)C)no2)cc1Cl ZINC000339396490 525821062 /nfs/dbraw/zinc/82/10/62/525821062.db2.gz XCPJSSLESPAKSE-GFCCVEGCSA-N 0 1 279.771 3.744 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccc3c(c2)OCCO3)o1 ZINC000036960165 525943639 /nfs/dbraw/zinc/94/36/39/525943639.db2.gz HTUWSUWWHWUZEI-OLZOCXBDSA-N 0 1 287.359 3.771 20 0 CHADMN Cc1ccc([C@H](NC[C@@H]2CCC=CO2)c2ccccn2)cc1 ZINC000279624726 525970274 /nfs/dbraw/zinc/97/02/74/525970274.db2.gz HGCXTPMWYIFAEA-HKUYNNGSSA-N 0 1 294.398 3.762 20 0 CHADMN COc1cccc(CNC2(c3ccccc3)CCC2)c1OC ZINC000065275673 526010271 /nfs/dbraw/zinc/01/02/71/526010271.db2.gz KSABUNYVYDTHKV-UHFFFAOYSA-N 0 1 297.398 3.873 20 0 CHADMN Cc1cn[nH]c1CN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000290358588 526018610 /nfs/dbraw/zinc/01/86/10/526018610.db2.gz GLVFLGSKYRYAFN-IAQYHMDHSA-N 0 1 285.391 3.599 20 0 CHADMN Cc1cn[nH]c1CN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000290358590 526019097 /nfs/dbraw/zinc/01/90/97/526019097.db2.gz GLVFLGSKYRYAFN-NHYWBVRUSA-N 0 1 285.391 3.599 20 0 CHADMN Cc1cn[nH]c1CN(C)Cc1c(Cl)cccc1Cl ZINC000290432786 526020889 /nfs/dbraw/zinc/02/08/89/526020889.db2.gz NFHOHCJUQQOFKH-UHFFFAOYSA-N 0 1 284.190 3.657 20 0 CHADMN COc1cccc(CNCc2ccccc2OC(F)F)c1 ZINC000020131545 526026498 /nfs/dbraw/zinc/02/64/98/526026498.db2.gz DBGSXWDLGMJPBG-UHFFFAOYSA-N 0 1 293.313 3.586 20 0 CHADMN Cc1c[nH]nc1CNC1(c2cccc(C)c2)CCCC1 ZINC000289707592 526029420 /nfs/dbraw/zinc/02/94/20/526029420.db2.gz CELJZTNZQUXMGD-UHFFFAOYSA-N 0 1 269.392 3.586 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2cc(C)ncn2)o1 ZINC000292326122 526033062 /nfs/dbraw/zinc/03/30/62/526033062.db2.gz BTQVHCOKWFEKFT-BLLLJJGKSA-N 0 1 285.391 3.660 20 0 CHADMN Cc1c[nH]nc1CN[C@H](CC(C)C)c1ccccc1C ZINC000289616074 526034996 /nfs/dbraw/zinc/03/49/96/526034996.db2.gz VZTSRUWBSUHWPH-MRXNPFEDSA-N 0 1 271.408 3.904 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)CC1CCC(=O)CC1 ZINC000289503917 526035732 /nfs/dbraw/zinc/03/57/32/526035732.db2.gz DTIJDHUEQLCPDI-LLVKDONJSA-N 0 1 281.346 3.717 20 0 CHADMN Cc1cn[nH]c1CNc1cccc(CCC(F)(F)F)c1 ZINC000289582537 526036892 /nfs/dbraw/zinc/03/68/92/526036892.db2.gz STMMVKAUJNLITP-UHFFFAOYSA-N 0 1 283.297 3.825 20 0 CHADMN CSc1ccc(NCc2[nH]ncc2C)cc1Cl ZINC000289413311 526042956 /nfs/dbraw/zinc/04/29/56/526042956.db2.gz BSQFVQXWOANOFY-UHFFFAOYSA-N 0 1 267.785 3.706 20 0 CHADMN Cc1cc(-c2nc([C@@H](N)CC(C)C)no2)ccc1Cl ZINC000339385091 526054297 /nfs/dbraw/zinc/05/42/97/526054297.db2.gz LGRJQGMGZQKNSD-LBPRGKRZSA-N 0 1 279.771 3.744 20 0 CHADMN Cc1cc(-c2nc([C@H](N)CC(C)C)no2)c(C)n1C1CC1 ZINC000339394376 526054843 /nfs/dbraw/zinc/05/48/43/526054843.db2.gz ITITUHFCGAQORX-CQSZACIVSA-N 0 1 288.395 3.536 20 0 CHADMN C[C@@H](c1ccccc1)N(Cc1nccn1C)CC1CCC1 ZINC000077372267 526089861 /nfs/dbraw/zinc/08/98/61/526089861.db2.gz VWMQSHUAAMSVJQ-HNNXBMFYSA-N 0 1 283.419 3.783 20 0 CHADMN COc1cccc(Cl)c1CN1CCC[C@H]1CSC ZINC000354087930 526096843 /nfs/dbraw/zinc/09/68/43/526096843.db2.gz IFGVUJPHDYAMOO-NSHDSACASA-N 0 1 285.840 3.676 20 0 CHADMN COc1cccc(Cl)c1CN1CCC[C@@H]1CSC ZINC000354087929 526097117 /nfs/dbraw/zinc/09/71/17/526097117.db2.gz IFGVUJPHDYAMOO-LLVKDONJSA-N 0 1 285.840 3.676 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1cccc(Cl)c1 ZINC000299199442 526111285 /nfs/dbraw/zinc/11/12/85/526111285.db2.gz TYXDNUZQOLSNIJ-LBPRGKRZSA-N 0 1 260.768 3.928 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CCC2(CC2)CC1 ZINC000366662359 526185077 /nfs/dbraw/zinc/18/50/77/526185077.db2.gz BMTJBBHCAZNTEH-GFCCVEGCSA-N 0 1 262.397 3.909 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000276567405 526194798 /nfs/dbraw/zinc/19/47/98/526194798.db2.gz MOGDLNCMRUNKME-YUELXQCFSA-N 0 1 283.375 3.530 20 0 CHADMN Cc1cncc([C@@H](C)NCc2ccc3c(n2)CCCC3)c1 ZINC000278411399 526214184 /nfs/dbraw/zinc/21/41/84/526214184.db2.gz HQYGMRICAATVEL-CQSZACIVSA-N 0 1 281.403 3.515 20 0 CHADMN FC1(F)CC(NCc2ccc(Oc3ccccc3)o2)C1 ZINC000277783029 526274507 /nfs/dbraw/zinc/27/45/07/526274507.db2.gz ZIEXABQGAIKEIO-UHFFFAOYSA-N 0 1 279.286 3.959 20 0 CHADMN C=Cn1cc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)cn1 ZINC000367175024 526281017 /nfs/dbraw/zinc/28/10/17/526281017.db2.gz UHGHCBYDPCESJL-ZDUSSCGKSA-N 0 1 299.340 3.538 20 0 CHADMN FCCN[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000281028736 526285071 /nfs/dbraw/zinc/28/50/71/526285071.db2.gz MWPLRTGIXAHRRT-LBPRGKRZSA-N 0 1 276.380 3.747 20 0 CHADMN Fc1cc(Cl)cc(CN2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000275318962 526299825 /nfs/dbraw/zinc/29/98/25/526299825.db2.gz STDDXVSRHWLRTM-LBPRGKRZSA-N 0 1 293.773 3.582 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]2c2cccs2)nc1 ZINC000276416482 526334237 /nfs/dbraw/zinc/33/42/37/526334237.db2.gz WKAUJJJQMOTXJL-CYBMUJFWSA-N 0 1 262.353 3.619 20 0 CHADMN Fc1ccc([C@@H](NCc2ncc[nH]2)C2CCCC2)cc1 ZINC000067695683 526362833 /nfs/dbraw/zinc/36/28/33/526362833.db2.gz VDWKWIJZJGREOE-INIZCTEOSA-N 0 1 273.355 3.570 20 0 CHADMN Fc1ccc([C@H](NCc2ccc(F)cn2)C2CCC2)cc1 ZINC000276307290 526365590 /nfs/dbraw/zinc/36/55/90/526365590.db2.gz XWZDZSYTQVTSPI-QGZVFWFLSA-N 0 1 288.341 3.991 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cn3ccccc3n1)CCC2 ZINC000279638933 526373248 /nfs/dbraw/zinc/37/32/48/526373248.db2.gz CTQBUZDISCSUOS-QGZVFWFLSA-N 0 1 295.361 3.641 20 0 CHADMN O=c1[nH]c2ccccc2cc1CN[C@@H]1CCCc2occc21 ZINC000120787765 526379732 /nfs/dbraw/zinc/37/97/32/526379732.db2.gz UAELKDKSXLFMPA-MRXNPFEDSA-N 0 1 294.354 3.701 20 0 CHADMN Cc1nnc([C@@H](C)N[C@H](C)C(C)(C)c2ccccc2)s1 ZINC000275199210 526397189 /nfs/dbraw/zinc/39/71/89/526397189.db2.gz FNKCURVBZFUINZ-VXGBXAGGSA-N 0 1 289.448 3.863 20 0 CHADMN Fc1ccccc1CN1CC[C@@H](CC(F)(F)F)C1 ZINC000278966314 526409655 /nfs/dbraw/zinc/40/96/55/526409655.db2.gz ZXVFPFISVDJNIY-JTQLQIEISA-N 0 1 261.262 3.600 20 0 CHADMN c1c[nH]c([C@H]2CCCN2Cc2cccc3ccccc32)n1 ZINC000364720601 526411238 /nfs/dbraw/zinc/41/12/38/526411238.db2.gz DONVWVDCFCACBC-QGZVFWFLSA-N 0 1 277.371 3.900 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1ccsc1C ZINC000292909005 526475730 /nfs/dbraw/zinc/47/57/30/526475730.db2.gz HGMURYRDNSQDJH-UHFFFAOYSA-N 0 1 264.394 3.686 20 0 CHADMN c1ccc([C@H](NC[C@@H]2CCCS2)c2ccccn2)cc1 ZINC000149624805 526497131 /nfs/dbraw/zinc/49/71/31/526497131.db2.gz HPXZFZLWFOMKOZ-RDJZCZTQSA-N 0 1 284.428 3.656 20 0 CHADMN c1ccc2c(c1)CC[C@@H]2NCc1cccc2c1OCCCO2 ZINC000047496015 526505207 /nfs/dbraw/zinc/50/52/07/526505207.db2.gz RQVMXSUBWUGELE-KRWDZBQOSA-N 0 1 295.382 3.625 20 0 CHADMN c1ccc2c(c1)CC[C@H]2NCc1cccc2c1OCCCO2 ZINC000047496017 526507092 /nfs/dbraw/zinc/50/70/92/526507092.db2.gz RQVMXSUBWUGELE-QGZVFWFLSA-N 0 1 295.382 3.625 20 0 CHADMN Cc1noc(C)c1CNCc1cc2ccccc2s1 ZINC000339414708 526514640 /nfs/dbraw/zinc/51/46/40/526514640.db2.gz AXMLTLDOEBOFEA-UHFFFAOYSA-N 0 1 272.373 3.796 20 0 CHADMN c1coc(CN[C@H]2CCCc3c4ccccc4[nH]c32)c1 ZINC000087816014 526567709 /nfs/dbraw/zinc/56/77/09/526567709.db2.gz QEZTXILOXAMMAJ-INIZCTEOSA-N 0 1 266.344 3.928 20 0 CHADMN Cc1noc(C)c1[C@H](C)C[NH2+]Cc1cccc([O-])c1Cl ZINC000293331505 526575668 /nfs/dbraw/zinc/57/56/68/526575668.db2.gz RTDOTDCMOPVHDK-SECBINFHSA-N 0 1 294.782 3.544 20 0 CHADMN c1csc(-c2noc([C@H]3CCCN3C3CCCC3)n2)c1 ZINC000275745482 526577648 /nfs/dbraw/zinc/57/76/48/526577648.db2.gz WCYITSMPJCSHDQ-GFCCVEGCSA-N 0 1 289.404 3.878 20 0 CHADMN c1csc([C@H]2CCCN2Cc2cn3ccccc3n2)c1 ZINC000061781263 526589999 /nfs/dbraw/zinc/58/99/99/526589999.db2.gz UAAAPRMCJANHLC-CQSZACIVSA-N 0 1 283.400 3.733 20 0 CHADMN c1snnc1CN1C[C@@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000275350787 526635731 /nfs/dbraw/zinc/63/57/31/526635731.db2.gz ZBMDJPWUGXCEGP-YESZJQIVSA-N 0 1 299.443 3.696 20 0 CHADMN Cc1nocc1CN[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000339289990 526697102 /nfs/dbraw/zinc/69/71/02/526697102.db2.gz GDJYAGCDEXLEMP-CYBMUJFWSA-N 0 1 293.370 3.896 20 0 CHADMN Cc1nocc1CN[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000339378773 526697187 /nfs/dbraw/zinc/69/71/87/526697187.db2.gz PNTYYRKUVJEYBP-DLBZAZTESA-N 0 1 270.376 3.957 20 0 CHADMN CC(C)(C)[C@H]1CN(C(=O)c2coc(CN)c2)c2ccccc21 ZINC000335030795 526736526 /nfs/dbraw/zinc/73/65/26/526736526.db2.gz SDXHKUMCWNXMNE-HNNXBMFYSA-N 0 1 298.386 3.528 20 0 CHADMN Cc1sccc1CN[C@@H]1c2ccccc2O[C@@H]1C ZINC000293027772 526918204 /nfs/dbraw/zinc/91/82/04/526918204.db2.gz RGYBCQPRLYYSRY-BMIGLBTASA-N 0 1 259.374 3.668 20 0 CHADMN Clc1cc(CN[C@@H]2CCSC2)c(Cl)s1 ZINC000307231591 526926936 /nfs/dbraw/zinc/92/69/36/526926936.db2.gz CITCRLQHBMHZNT-SSDOTTSWSA-N 0 1 268.234 3.650 20 0 CHADMN Cc1nc(F)ccc1CN1CC[C@H](C(F)(F)F)C1(C)C ZINC000278783026 526944409 /nfs/dbraw/zinc/94/44/09/526944409.db2.gz VHLBFLJEXWDEOQ-NSHDSACASA-N 0 1 290.304 3.692 20 0 CHADMN O=C1CCC(CN(Cc2ccc(F)cc2F)C2CC2)CC1 ZINC000290151954 526964672 /nfs/dbraw/zinc/96/46/72/526964672.db2.gz WSZAZCYAIGZPCE-UHFFFAOYSA-N 0 1 293.357 3.689 20 0 CHADMN Clc1cccc(N[C@H](c2cccs2)c2nnc[nH]2)c1 ZINC000340323856 526981269 /nfs/dbraw/zinc/98/12/69/526981269.db2.gz SNCJPPCWDCMIDJ-GFCCVEGCSA-N 0 1 290.779 3.721 20 0 CHADMN Clc1ncc(CN2CCC[C@H]3CCC[C@@H]32)s1 ZINC000086776960 527008882 /nfs/dbraw/zinc/00/88/82/527008882.db2.gz PUAGJNQYPFRTGO-KOLCDFICSA-N 0 1 256.802 3.561 20 0 CHADMN Clc1ncccc1CN(C1CCC1)C1CCC1 ZINC000292361882 527011312 /nfs/dbraw/zinc/01/13/12/527011312.db2.gz IFVVWVWLPKUABO-UHFFFAOYSA-N 0 1 250.773 3.642 20 0 CHADMN NC1(c2noc(-c3ccc(Cl)cc3Cl)n2)CCCC1 ZINC000041671044 527132989 /nfs/dbraw/zinc/13/29/89/527132989.db2.gz ALBFQIHVSAHBHP-UHFFFAOYSA-N 0 1 298.173 3.771 20 0 CHADMN Cc1nc2cccc(C(=O)NCCCC3CCCC3)c2[nH]1 ZINC000338506014 527151546 /nfs/dbraw/zinc/15/15/46/527151546.db2.gz MCTRVSXXHHERHD-UHFFFAOYSA-N 0 1 285.391 3.572 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)[nH]1 ZINC000338565756 527151703 /nfs/dbraw/zinc/15/17/03/527151703.db2.gz GRAMLUKYXXLJTH-SGTLLEGYSA-N 0 1 297.402 3.524 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@H](C)C3CCCCC3)c2[nH]1 ZINC000338572421 527155392 /nfs/dbraw/zinc/15/53/92/527155392.db2.gz AJDBMVIMVCCQAU-LLVKDONJSA-N 0 1 285.391 3.570 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3ccc(C)c(F)c3)c2[nH]1 ZINC000338519016 527155582 /nfs/dbraw/zinc/15/55/82/527155582.db2.gz YLURLZBNJRAEON-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@H](C)c3ccccc3C)c2[nH]1 ZINC000338518106 527156001 /nfs/dbraw/zinc/15/60/01/527156001.db2.gz VNPCOQRWSMWZSG-GFCCVEGCSA-N 0 1 293.370 3.671 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3cccc(F)c3C)c2[nH]1 ZINC000338576285 527156486 /nfs/dbraw/zinc/15/64/86/527156486.db2.gz WFYBIVYDAFQABU-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1ncc(CN(Cc2ccco2)C2CCCC2)s1 ZINC000098133281 527252705 /nfs/dbraw/zinc/25/27/05/527252705.db2.gz JNPKTQOOLFOBGI-UHFFFAOYSA-N 0 1 276.405 3.989 20 0 CHADMN Cc1ncc(CN2CCC[C@H]2c2ccc(F)cc2)s1 ZINC000098132294 527255769 /nfs/dbraw/zinc/25/57/69/527255769.db2.gz SYJRPVYITGGFDV-HNNXBMFYSA-N 0 1 276.380 3.928 20 0 CHADMN Cc1ncc(CN2CCC[C@@H]2c2cccs2)s1 ZINC000299114460 527256468 /nfs/dbraw/zinc/25/64/68/527256468.db2.gz CNJGUJWKRLHGKA-GFCCVEGCSA-N 0 1 264.419 3.850 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cncs1 ZINC000340941205 527300040 /nfs/dbraw/zinc/30/00/40/527300040.db2.gz WPUYRHRFKONHEI-UHFFFAOYSA-N 0 1 298.371 3.539 20 0 CHADMN CC(=O)c1cccc(C(=O)Nc2cccc(Cl)c2O)c1 ZINC000336150078 527353422 /nfs/dbraw/zinc/35/34/22/527353422.db2.gz AVUXKQBNBWBOCU-UHFFFAOYSA-N 0 1 289.718 3.501 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1ccc(C2CCC2)cc1 ZINC000277190661 527455640 /nfs/dbraw/zinc/45/56/40/527455640.db2.gz IPPAWQZRURZSAK-CQSZACIVSA-N 0 1 281.403 3.903 20 0 CHADMN Cc1ncsc1CCN[C@H](C)c1csc(C(C)C)n1 ZINC000275216027 527490147 /nfs/dbraw/zinc/49/01/47/527490147.db2.gz SXOBZRIGKDOLHO-SNVBAGLBSA-N 0 1 295.477 3.925 20 0 CHADMN Cc1ncsc1CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000071212637 527512791 /nfs/dbraw/zinc/51/27/91/527512791.db2.gz KTVUNDLSVOVMCD-VIFPVBQESA-N 0 1 298.358 3.904 20 0 CHADMN C/C(=C\c1ccccc1)CN[C@@H](C)c1nccs1 ZINC000192680950 527534709 /nfs/dbraw/zinc/53/47/09/527534709.db2.gz JAXNFQIEARUIGS-XSNHNAGMSA-N 0 1 258.390 3.897 20 0 CHADMN FC(F)(F)[C@H](CCNCc1cocn1)c1ccccc1 ZINC000339421800 527678006 /nfs/dbraw/zinc/67/80/06/527678006.db2.gz QMMHXHJIAILOPG-CYBMUJFWSA-N 0 1 284.281 3.500 20 0 CHADMN FC(F)(F)c1ccc([C@H]2C[C@H](NCc3cocn3)C2)cc1 ZINC000280523565 527684387 /nfs/dbraw/zinc/68/43/87/527684387.db2.gz BGMBGXNLDRRCPS-AULYBMBSSA-N 0 1 296.292 3.729 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1ccccc1Cl ZINC000087406898 527700357 /nfs/dbraw/zinc/70/03/57/527700357.db2.gz PQAHBJGUOXISJT-MNOVXSKESA-N 0 1 277.799 3.794 20 0 CHADMN CC1(C)Cc2occc2[C@@H](NCc2cnn3ccccc23)C1 ZINC000353862372 527780366 /nfs/dbraw/zinc/78/03/66/527780366.db2.gz DAGRFDLPUMJWRD-HNNXBMFYSA-N 0 1 295.386 3.731 20 0 CHADMN CCC1CCC(N(C)Cc2ccn(C(F)F)n2)CC1 ZINC000347655478 527841908 /nfs/dbraw/zinc/84/19/08/527841908.db2.gz AQVTVVDFGRHJQL-UHFFFAOYSA-N 0 1 271.355 3.679 20 0 CHADMN CCN(CC(=O)N(CC)CC)Cc1ccc2ccccc2c1 ZINC000353454844 527892961 /nfs/dbraw/zinc/89/29/61/527892961.db2.gz MNYLMFOEJUTZTM-UHFFFAOYSA-N 0 1 298.430 3.530 20 0 CHADMN CCO[C@H](C)c1nc(CN(C)[C@@H](C)C(C)C)cs1 ZINC000347052130 528009958 /nfs/dbraw/zinc/00/99/58/528009958.db2.gz OHEPHNFECINCCY-NWDGAFQWSA-N 0 1 270.442 3.717 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2nc(C)sc2C)C1(CC)CC ZINC000344296352 528100008 /nfs/dbraw/zinc/10/00/08/528100008.db2.gz LSERIKABMUDSQR-CABCVRRESA-N 0 1 296.480 3.833 20 0 CHADMN CCCN(Cc1cncn1CC)[C@H]1CCCc2cccnc21 ZINC000417987178 528150492 /nfs/dbraw/zinc/15/04/92/528150492.db2.gz GFPIAJQQVLUNIQ-KRWDZBQOSA-N 0 1 298.434 3.588 20 0 CHADMN CC(C)c1cnc(CN2CC[C@H](CC3CC3)C2)s1 ZINC000354524686 528214983 /nfs/dbraw/zinc/21/49/83/528214983.db2.gz HGPZDSQFFKKUQG-CYBMUJFWSA-N 0 1 264.438 3.889 20 0 CHADMN CCCN1CCC[C@H]1C(=O)Nc1csc2ccccc12 ZINC000352572968 528230713 /nfs/dbraw/zinc/23/07/13/528230713.db2.gz OPAJXORQKHCEJW-AWEZNQCLSA-N 0 1 288.416 3.714 20 0 CHADMN CC(C)c1n[nH]cc1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000352191976 528256117 /nfs/dbraw/zinc/25/61/17/528256117.db2.gz YNUBLVHATNDQCW-UHFFFAOYSA-N 0 1 292.408 3.539 20 0 CHADMN CC(C)c1nc(CN2CCC[C@@H](C)CC2)cs1 ZINC000352807994 528278272 /nfs/dbraw/zinc/27/82/72/528278272.db2.gz XYESNOYPMKSKON-GFCCVEGCSA-N 0 1 252.427 3.889 20 0 CHADMN CC(C)c1ncc(CN2CCCC3(CC3)C2)s1 ZINC000351940824 528349704 /nfs/dbraw/zinc/34/97/04/528349704.db2.gz JBPGPHKIZYUVKI-UHFFFAOYSA-N 0 1 250.411 3.643 20 0 CHADMN CCN(CCC1CC1)Cc1csc(C(C)C)n1 ZINC000355043235 528425771 /nfs/dbraw/zinc/42/57/71/528425771.db2.gz WOFLWXJXJUPEFY-UHFFFAOYSA-N 0 1 252.427 3.889 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2nc(C)cs2)C1 ZINC000353875692 528503170 /nfs/dbraw/zinc/50/31/70/528503170.db2.gz ZVUACYPSMWHVET-CQSZACIVSA-N 0 1 252.427 3.854 20 0 CHADMN CCCO[C@@H]1CCCN(c2ccnc(C)c2Cl)CC1 ZINC000352825205 528606663 /nfs/dbraw/zinc/60/66/63/528606663.db2.gz CZUUBDOQPSDDOD-CYBMUJFWSA-N 0 1 282.815 3.829 20 0 CHADMN CCOc1cccc(CN2CCc3ccsc3C2)c1 ZINC000353684392 528644993 /nfs/dbraw/zinc/64/49/93/528644993.db2.gz GYCPUBFBEFHOBT-UHFFFAOYSA-N 0 1 273.401 3.705 20 0 CHADMN CCCc1nc(CN2CC[C@@](C)(CC)C2)cs1 ZINC000344240434 528747786 /nfs/dbraw/zinc/74/77/86/528747786.db2.gz MXYQGUQXXUSRMF-CQSZACIVSA-N 0 1 252.427 3.718 20 0 CHADMN CC(C)[C@@H]1CN(Cc2cc(Cl)cs2)CCCO1 ZINC000354793632 528748576 /nfs/dbraw/zinc/74/85/76/528748576.db2.gz RSTZTJPBEZVLGY-ZDUSSCGKSA-N 0 1 273.829 3.648 20 0 CHADMN CCOc1ccccc1[C@H](CC)N[C@@H](C)c1ccnn1C ZINC000192798809 528760791 /nfs/dbraw/zinc/76/07/91/528760791.db2.gz NATNHWCPRCFOLD-ZFWWWQNUSA-N 0 1 287.407 3.621 20 0 CHADMN CCN(Cc1ccccc1Cl)C[C@H]1CC[C@H](C)O1 ZINC000354899736 528839343 /nfs/dbraw/zinc/83/93/43/528839343.db2.gz VUHYKVHERQAEKX-GXTWGEPZSA-N 0 1 267.800 3.729 20 0 CHADMN CCN(Cc1csc(C2CC2)n1)[C@H]1CCOC(C)(C)C1 ZINC000351924974 528881149 /nfs/dbraw/zinc/88/11/49/528881149.db2.gz JQLRIIQONWIJAB-AWEZNQCLSA-N 0 1 294.464 3.800 20 0 CHADMN CC1(C)CCCN1Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356129006 528944773 /nfs/dbraw/zinc/94/47/73/528944773.db2.gz QAKHLCQAKJATPN-UHFFFAOYSA-N 0 1 273.298 3.785 20 0 CHADMN CCC[C@@H](NCc1ccc2cc[nH]c2n1)c1cccnc1 ZINC000353633373 529014280 /nfs/dbraw/zinc/01/42/80/529014280.db2.gz XBOBGDPFTBPURA-MRXNPFEDSA-N 0 1 280.375 3.589 20 0 CHADMN CC[C@@H](NCc1cc(C)ccc1F)c1c(C)nn(C)c1C ZINC000344760341 529181259 /nfs/dbraw/zinc/18/12/59/529181259.db2.gz NDCGFOSXXOVIKT-MRXNPFEDSA-N 0 1 289.398 3.725 20 0 CHADMN CC[C@H](c1ccccc1OC)N(C)Cc1ccc(C)cn1 ZINC000347572912 529184994 /nfs/dbraw/zinc/18/49/94/529184994.db2.gz ZHTVQYNYRMIQMZ-QGZVFWFLSA-N 0 1 284.403 3.982 20 0 CHADMN CC[C@@H](NCc1ccc2sccc2c1)c1nccn1C ZINC000353570673 529185224 /nfs/dbraw/zinc/18/52/24/529185224.db2.gz FKHYWZFCGZQNCW-CQSZACIVSA-N 0 1 285.416 3.876 20 0 CHADMN CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCC(=O)[O-] ZINC000116387984 529257654 /nfs/dbraw/zinc/25/76/54/529257654.db2.gz IOPBLMYLGAKICJ-HOTGVXAUSA-N 0 1 275.392 3.509 20 0 CHADMN CC[C@@H](c1ccccc1OC)N(C)Cc1cccnc1 ZINC000347543876 529258894 /nfs/dbraw/zinc/25/88/94/529258894.db2.gz RVILQOSCUFXHEG-INIZCTEOSA-N 0 1 270.376 3.673 20 0 CHADMN CC[C@H]1CN(Cc2cccc(-c3ccccn3)c2)C[C@H](C)O1 ZINC000352721031 529296499 /nfs/dbraw/zinc/29/64/99/529296499.db2.gz YIFFGDKPUYJASQ-YJBOKZPZSA-N 0 1 296.414 3.748 20 0 CHADMN CC(C)n1ccc(CSc2nc(-c3ccccc3)n[nH]2)n1 ZINC000342107279 535090627 /nfs/dbraw/zinc/09/06/27/535090627.db2.gz STULUBMIGNXIAR-UHFFFAOYSA-N 0 1 299.403 3.541 20 0 CHADMN CC[C@@H](NCc1csc2ccccc12)c1nccn1C ZINC000341758684 535806277 /nfs/dbraw/zinc/80/62/77/535806277.db2.gz AZUQHKSHEWMCIX-CQSZACIVSA-N 0 1 285.416 3.876 20 0 CHADMN CC[C@H]1CCCN1Cc1csc(-c2ccoc2)n1 ZINC000341948798 536071693 /nfs/dbraw/zinc/07/16/93/536071693.db2.gz VYHJAAFLHMBAIX-ZDUSSCGKSA-N 0 1 262.378 3.778 20 0 CHADMN CO[C@H]1CCCN([C@H](C)c2ccccc2Br)C1 ZINC000341864882 536710422 /nfs/dbraw/zinc/71/04/22/536710422.db2.gz WTHUGZCXJMAWQE-NEPJUHHUSA-N 0 1 298.224 3.621 20 0 CHADMN COc1ccccc1CNCc1ccc(Cl)cc1 ZINC000000812216 567834974 /nfs/dbraw/zinc/83/49/74/567834974.db2.gz HGDMOZLKILNZRI-UHFFFAOYSA-N 0 1 261.752 3.638 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000062015296 599847460 /nfs/dbraw/zinc/84/74/60/599847460.db2.gz VYNPCUKZLISLEB-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000032117296 599997768 /nfs/dbraw/zinc/99/77/68/599997768.db2.gz NOTBWKLWTCZZAW-ZDUSSCGKSA-N 0 1 269.344 3.578 20 0 CHADMN C[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000071264913 600083720 /nfs/dbraw/zinc/08/37/20/600083720.db2.gz DBTLMLKGJWDFFI-SMDDNHRTSA-N 0 1 279.355 3.534 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@@H](C)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000652409094 600143386 /nfs/dbraw/zinc/14/33/86/600143386.db2.gz GQTMSVCTGMTCJA-STQMWFEESA-N 0 1 287.359 3.774 20 0 CHADMN Cc1ccc(C)c(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000738575086 600212994 /nfs/dbraw/zinc/21/29/94/600212994.db2.gz XUBGVPWXRGVFTK-QGZVFWFLSA-N 0 1 283.371 3.561 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(C)c(C(=O)[O-])o2)o1 ZINC000584356387 600217869 /nfs/dbraw/zinc/21/78/69/600217869.db2.gz LOLAHKGHJMWCQK-CYBMUJFWSA-N 0 1 289.331 3.525 20 0 CHADMN Cc1ccccc1C[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000341562840 600227566 /nfs/dbraw/zinc/22/75/66/600227566.db2.gz KLEPPXSEPGLWNF-UHFFFAOYSA-N 0 1 297.398 3.862 20 0 CHADMN O=C([O-])CCC[N@@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000116392964 600228229 /nfs/dbraw/zinc/22/82/29/600228229.db2.gz FJOSYRVUCPHFOS-UHFFFAOYSA-N 0 1 295.810 3.949 20 0 CHADMN C[C@H](C[N@@H+](C)[C@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000251077970 600367790 /nfs/dbraw/zinc/36/77/90/600367790.db2.gz GWNSCFQFNVDOEY-CHWSQXEVSA-N 0 1 271.360 3.553 20 0 CHADMN C[C@@H]([NH2+][C@H](C(=O)[O-])c1cccc(Cl)c1)c1cccs1 ZINC000143444196 600417124 /nfs/dbraw/zinc/41/71/24/600417124.db2.gz BTESZYKAJLLRDN-RNCFNFMXSA-N 0 1 295.791 3.878 20 0 CHADMN Cc1cc(C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)oc1C(=O)[O-] ZINC000566360367 600629609 /nfs/dbraw/zinc/62/96/09/600629609.db2.gz WWOMOGVHZNBXGL-DZGCQCFKSA-N 0 1 299.370 3.664 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000578995146 600835631 /nfs/dbraw/zinc/83/56/31/600835631.db2.gz BDFDHMGXGZKGAU-HSMVNMDESA-N 0 1 291.366 3.677 20 0 CHADMN CCCCc1oc2ccccc2c1C[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000236921446 600947836 /nfs/dbraw/zinc/94/78/36/600947836.db2.gz AHUMECXOIWANAZ-GFCCVEGCSA-N 0 1 289.375 3.680 20 0 CHADMN Cc1cccnc1[C@H]([NH2+][C@H](C(=O)[O-])c1ccccc1)C(C)C ZINC000738321656 600956524 /nfs/dbraw/zinc/95/65/24/600956524.db2.gz IWSPCERXRCSESJ-WBVHZDCISA-N 0 1 298.386 3.503 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccoc2C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000652427828 600974798 /nfs/dbraw/zinc/97/47/98/600974798.db2.gz QCPKIWXPNGJJNJ-XJKSGUPXSA-N 0 1 299.370 3.603 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000828457710 601044965 /nfs/dbraw/zinc/04/49/65/601044965.db2.gz WWVRGLBCVXOITR-SUMWQHHRSA-N 0 1 281.355 3.578 20 0 CHADMN C[C@H]1c2ccccc2C[N@H+]1[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000828527803 601117131 /nfs/dbraw/zinc/11/71/31/601117131.db2.gz PCWVAQHQAUEWFP-MEDUHNTESA-N 0 1 285.318 3.528 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(F)cc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000828457082 601179430 /nfs/dbraw/zinc/17/94/30/601179430.db2.gz QQBCEMHPPFQYOR-YVEFUNNKSA-N 0 1 299.345 3.717 20 0 CHADMN CC1(C)C[N@H+](Cc2ccc(C(=O)[O-])o2)[C@@H]1c1ccccc1 ZINC000828074527 601183116 /nfs/dbraw/zinc/18/31/16/601183116.db2.gz JGIBLDGDBVRTTB-OAHLLOKOSA-N 0 1 285.343 3.561 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(C(=O)[O-])o2)[C@@H]1c1ccccc1 ZINC000828074527 601183117 /nfs/dbraw/zinc/18/31/17/601183117.db2.gz JGIBLDGDBVRTTB-OAHLLOKOSA-N 0 1 285.343 3.561 20 0 CHADMN Cc1cc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)oc1C(=O)[O-] ZINC000568067098 601329446 /nfs/dbraw/zinc/32/94/46/601329446.db2.gz LWFUEIGQEYSBNN-CZUORRHYSA-N 0 1 299.370 3.664 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000226430684 601535087 /nfs/dbraw/zinc/53/50/87/601535087.db2.gz CROOVQRJNPOIRK-XNJGSVPQSA-N 0 1 283.371 3.553 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000652405654 601628341 /nfs/dbraw/zinc/62/83/41/601628341.db2.gz KYAPGSYFHWTAGP-ZDUSSCGKSA-N 0 1 279.405 3.519 20 0 CHADMN C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC000110956852 601807598 /nfs/dbraw/zinc/80/75/98/601807598.db2.gz BFMUKLLTCNLIQX-SNVBAGLBSA-N 0 1 293.363 3.778 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccsc1C(=O)[O-])c1ccccc1 ZINC000579365138 601821358 /nfs/dbraw/zinc/82/13/58/601821358.db2.gz OLFQQDZNLKRZLL-LBPRGKRZSA-N 0 1 289.400 3.682 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccsc1C(=O)[O-])c1ccccc1 ZINC000579365137 601821369 /nfs/dbraw/zinc/82/13/69/601821369.db2.gz OLFQQDZNLKRZLL-GFCCVEGCSA-N 0 1 289.400 3.682 20 0 CHADMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccsc1C(=O)[O-] ZINC000568065727 601823831 /nfs/dbraw/zinc/82/38/31/601823831.db2.gz DFPMETCXJUTYHQ-LLVKDONJSA-N 0 1 287.384 3.566 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000565103118 601827578 /nfs/dbraw/zinc/82/75/78/601827578.db2.gz IGXUQKBKMIIKFQ-NTZNESFSSA-N 0 1 279.405 3.599 20 0 CHADMN C[C@@H]1c2ccccc2C[N@@H+]1Cc1ccsc1C(=O)[O-] ZINC000828528727 601837863 /nfs/dbraw/zinc/83/78/63/601837863.db2.gz ZVMIYCMGTUFDRV-SNVBAGLBSA-N 0 1 273.357 3.523 20 0 CHADMN C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC000652383079 601937708 /nfs/dbraw/zinc/93/77/08/601937708.db2.gz VITRPBYSHIOHOR-JTQLQIEISA-N 0 1 293.363 3.778 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000086780054 601941013 /nfs/dbraw/zinc/94/10/13/601941013.db2.gz AGXDWFUDJKQZAT-SCLBCKFNSA-N 0 1 283.371 3.697 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000125302847 601956194 /nfs/dbraw/zinc/95/61/94/601956194.db2.gz SRMVRNNQHUXNSS-LLVKDONJSA-N 0 1 267.394 3.601 20 0 CHADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000135029786 604938159 /nfs/dbraw/zinc/93/81/59/604938159.db2.gz GNIHLCLANAMMFY-CYBMUJFWSA-N 0 1 295.810 3.663 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2ccccc2CC(=O)[O-])cc1 ZINC000833669215 605062765 /nfs/dbraw/zinc/06/27/65/605062765.db2.gz BXEJTYGYPXHCQG-UHFFFAOYSA-N 0 1 297.398 3.508 20 0 CHADMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1Cl)C(C1CC1)C1CC1 ZINC000566360473 605830892 /nfs/dbraw/zinc/83/08/92/605830892.db2.gz ZYZZLAKAUQNQNL-UHFFFAOYSA-N 0 1 293.794 3.659 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CCSC2CCCCC2)C1 ZINC001589605091 949238229 /nfs/dbraw/zinc/23/82/29/949238229.db2.gz JPJIVFOUSRNJQM-INIZCTEOSA-N 0 1 299.480 3.629 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000127964893 949274493 /nfs/dbraw/zinc/27/44/93/949274493.db2.gz WQICFJFDKCWYOE-ABAIWWIYSA-N 0 1 293.794 3.514 20 0 CHADMN C[C@@H](C[N@H+]1CCCC[C@H]1CCC(=O)[O-])c1ccccc1 ZINC000251097161 950011815 /nfs/dbraw/zinc/01/18/15/950011815.db2.gz LVVYEFPCCKBXBI-HOCLYGCPSA-N 0 1 275.392 3.509 20 0 CHADMN C[C@H](C[N@H+]1CCCC[C@H]1CCC(=O)[O-])c1ccccc1 ZINC000251097628 950011920 /nfs/dbraw/zinc/01/19/20/950011920.db2.gz LVVYEFPCCKBXBI-ZBFHGGJFSA-N 0 1 275.392 3.509 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC000251319545 950014505 /nfs/dbraw/zinc/01/45/05/950014505.db2.gz WPZPJOKHKODVLI-RHSMWYFYSA-N 0 1 275.392 3.633 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1nc(C(C)(C)C)no1)C1CC1 ZINC000104966311 1125457154 /nfs/dbraw/zinc/45/71/54/1125457154.db2.gz DJGDPNBRUFKRBN-RYUDHWBXSA-N 0 1 279.428 3.766 20 0 CHADMN CC[C@H](C)[C@H](C)[N@@H+](Cc1nc(C(C)(C)C)no1)C1CC1 ZINC000104966311 1125457148 /nfs/dbraw/zinc/45/71/48/1125457148.db2.gz DJGDPNBRUFKRBN-RYUDHWBXSA-N 0 1 279.428 3.766 20 0 CHADMN Cc1ccc([C@H](C)NCc2c(C)noc2C)s1 ZINC000109053318 1125458206 /nfs/dbraw/zinc/45/82/06/1125458206.db2.gz KWNSNJUSZBPERT-JTQLQIEISA-N 0 1 250.367 3.512 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(Cl)cc2)nc1 ZINC000126935809 1125458406 /nfs/dbraw/zinc/45/84/06/1125458406.db2.gz HTMHUIVRDLDGSG-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN O=C([O-])[C@@H]1C[N@H+]([C@H]2C=CCCCCC2)Cc2ccccc21 ZINC000314082082 950808349 /nfs/dbraw/zinc/80/83/49/950808349.db2.gz XRBUQXMRJHPLAW-DOTOQJQBSA-N 0 1 285.387 3.559 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000334585548 951131250 /nfs/dbraw/zinc/13/12/50/951131250.db2.gz SEFXFCLYWJBMAB-MEBBXXQBSA-N 0 1 295.810 3.642 20 0 CHADMN O=C([O-])C[C@H]1CCCC[N@H+]1CCCC1CCCCC1 ZINC000395092473 951463668 /nfs/dbraw/zinc/46/36/68/951463668.db2.gz CJXPJYZUCGSXPJ-OAHLLOKOSA-N 0 1 267.413 3.676 20 0 CHADMN C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)[O-])c1Cl ZINC000382015494 971796409 /nfs/dbraw/zinc/79/64/09/971796409.db2.gz ZWBOXCYFWTXFPJ-UHFFFAOYSA-N 0 1 289.762 3.670 20 0 CHADMN C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)[O-])c1Cl ZINC000382015494 971796414 /nfs/dbraw/zinc/79/64/14/971796414.db2.gz ZWBOXCYFWTXFPJ-UHFFFAOYSA-N 0 1 289.762 3.670 20 0 CHADMN C[C@H](NCc1cccc(OC(F)F)c1)c1cccnc1 ZINC000127266691 1125460145 /nfs/dbraw/zinc/46/01/45/1125460145.db2.gz NQJPTLJPSGEUDR-NSHDSACASA-N 0 1 278.302 3.534 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(C(C)(C)CC)cc1 ZINC000515305890 953537908 /nfs/dbraw/zinc/53/79/08/953537908.db2.gz KPVBCDGVTBIYDQ-UHFFFAOYSA-N 0 1 277.408 3.671 20 0 CHADMN CCCc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000643056153 953902073 /nfs/dbraw/zinc/90/20/73/953902073.db2.gz VWVBOIWVYPSOIV-INIZCTEOSA-N 0 1 289.419 3.716 20 0 CHADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC000662210998 954382252 /nfs/dbraw/zinc/38/22/52/954382252.db2.gz BYUDPPYEWOMJTJ-DZGCQCFKSA-N 0 1 289.419 3.669 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C[C@H]1C(=O)[O-] ZINC000662213201 954383954 /nfs/dbraw/zinc/38/39/54/954383954.db2.gz UDETVVDVYRNQAJ-XJKSGUPXSA-N 0 1 289.419 3.527 20 0 CHADMN C[C@H](C[N@H+]1CCC[C@H](CCC(=O)[O-])C1)CC(C)(C)C ZINC000709274436 955009492 /nfs/dbraw/zinc/00/94/92/955009492.db2.gz BPYKNGITYHJHCF-UONOGXRCSA-N 0 1 269.429 3.636 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@H+](C)C[C@@H](C)C(=O)[O-])c1 ZINC000872157898 956054035 /nfs/dbraw/zinc/05/40/35/956054035.db2.gz UCOCDPTWPXETQE-CQSZACIVSA-N 0 1 285.387 3.609 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cccc(C2CC2)c1 ZINC000388337414 972166249 /nfs/dbraw/zinc/16/62/49/972166249.db2.gz HEXYXGLAZWDKKR-UHFFFAOYSA-N 0 1 295.382 3.894 20 0 CHADMN CC[C@H]1c2ccccc2CC[N@@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903695961 956881705 /nfs/dbraw/zinc/88/17/05/956881705.db2.gz OCGSPJDNRVZETA-INIZCTEOSA-N 0 1 287.403 3.641 20 0 CHADMN C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC000903696564 956883840 /nfs/dbraw/zinc/88/38/40/956883840.db2.gz JQCRBPFHWQJVLW-LLVKDONJSA-N 0 1 297.345 3.603 20 0 CHADMN CCC(CC)C[N@@H+](CC)Cc1cc(C)c(C(=O)[O-])o1 ZINC000048970688 957471310 /nfs/dbraw/zinc/47/13/10/957471310.db2.gz NLPAMWAUCDXWHO-UHFFFAOYSA-N 0 1 267.369 3.544 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2CCCC2)c(F)c1 ZINC000062754278 957608630 /nfs/dbraw/zinc/60/86/30/957608630.db2.gz YJVWHXDHGNHSRH-MRXNPFEDSA-N 0 1 291.366 3.679 20 0 CHADMN C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000062754025 957608952 /nfs/dbraw/zinc/60/89/52/957608952.db2.gz WKXPCDAZYFQHSF-BXUZGUMPSA-N 0 1 279.355 3.534 20 0 CHADMN Cc1cc(C)c(C[N@@H+](CC(=O)[O-])C2CCCCC2)c(C)c1 ZINC000076812678 957750047 /nfs/dbraw/zinc/75/00/47/957750047.db2.gz CSLMUNHJIXYXTB-UHFFFAOYSA-N 0 1 289.419 3.831 20 0 CHADMN C[C@H]1CCC[C@H](C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000089627220 958074903 /nfs/dbraw/zinc/07/49/03/958074903.db2.gz JIBNXUSSQZCOBZ-ZFWWWQNUSA-N 0 1 275.392 3.643 20 0 CHADMN Cc1cccc(C)c1C[N@H+](CCCC(=O)[O-])CC(C)C ZINC001594400479 958850574 /nfs/dbraw/zinc/85/05/74/958850574.db2.gz FZAVJKZQOFYAEY-UHFFFAOYSA-N 0 1 277.408 3.626 20 0 CHADMN Cc1cccc([C@@H](C)[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000135050139 958883252 /nfs/dbraw/zinc/88/32/52/958883252.db2.gz FFXBXYKKGGXGNB-ZBFHGGJFSA-N 0 1 289.419 3.879 20 0 CHADMN CC(C)(C)[N@@H+](CCCCC(=O)[O-])Cc1ccccc1 ZINC000146573815 958994599 /nfs/dbraw/zinc/99/45/99/958994599.db2.gz LFGZESSEHJGWMO-UHFFFAOYSA-N 0 1 263.381 3.542 20 0 CHADMN Cc1ccc([C@@H](C)Nc2ccc(C(=O)[O-])c(C)[nH+]2)cc1 ZINC000147507623 959002165 /nfs/dbraw/zinc/00/21/65/959002165.db2.gz SRJYFYJTBMYTOW-LLVKDONJSA-N 0 1 270.332 3.570 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000155966475 959044769 /nfs/dbraw/zinc/04/47/69/959044769.db2.gz VEPTZCWNMMWMIY-GXFFZTMASA-N 0 1 281.421 3.765 20 0 CHADMN CC(C)c1ccc(C[C@H]2CC[N@@H+](CCCC(=O)[O-])C2)cc1 ZINC001573566538 959290312 /nfs/dbraw/zinc/29/03/12/959290312.db2.gz IWSXTOUEQNLKQE-MRXNPFEDSA-N 0 1 289.419 3.539 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)c(F)c1F ZINC001137940348 1131439170 /nfs/dbraw/zinc/43/91/70/1131439170.db2.gz TWHKCDMVHLLXSH-GWCFXTLKSA-N 0 1 269.310 3.868 20 0 CHADMN Cc1cccc([C@@H](C)[N@H+]2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000203522987 959645041 /nfs/dbraw/zinc/64/50/41/959645041.db2.gz YQZBAIUEDOKAAK-HUUCEWRRSA-N 0 1 275.392 3.633 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cccc3ccccc32)[C@@H](C(=O)[O-])C1 ZINC000229308263 960077359 /nfs/dbraw/zinc/07/73/59/960077359.db2.gz ATCFHEDMFTUGLQ-SUMWQHHRSA-N 0 1 283.371 3.525 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC001204151578 960603475 /nfs/dbraw/zinc/60/34/75/960603475.db2.gz VVCSLORHEIQCMR-KRWDZBQOSA-N 0 1 299.345 3.861 20 0 CHADMN CC(=O)[C@H]1CCCN(Cc2cc(C)c(Cl)c(C)c2)C1 ZINC001238098289 1117776859 /nfs/dbraw/zinc/77/68/59/1117776859.db2.gz XMECOOMYMMVZCV-HNNXBMFYSA-N 0 1 279.811 3.758 20 0 CHADMN CCC[N@H+](CC(=O)[O-])C[C@H](C)CSc1ccccc1C ZINC001573853941 961136111 /nfs/dbraw/zinc/13/61/11/961136111.db2.gz ITSVSIXLKSNKCA-ZDUSSCGKSA-N 0 1 295.448 3.520 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC001588797447 961405574 /nfs/dbraw/zinc/40/55/74/961405574.db2.gz NWIGEEHWPBGPMM-ZBFHGGJFSA-N 0 1 267.413 3.698 20 0 CHADMN CCc1oc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc1C(=O)[O-] ZINC001332432497 961574562 /nfs/dbraw/zinc/57/45/62/961574562.db2.gz DFZSOAMCGIWRLG-QWHCGFSZSA-N 0 1 291.391 3.552 20 0 CHADMN Cc1nnc([C@@H](C)[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)o1 ZINC000129807200 1125478551 /nfs/dbraw/zinc/47/85/51/1125478551.db2.gz DQPSLPQZHDZUSQ-IOASZLSFSA-N 0 1 285.391 3.565 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@H](c3ccccc3)[C@H](C)C2)o1 ZINC000129807200 1125478554 /nfs/dbraw/zinc/47/85/54/1125478554.db2.gz DQPSLPQZHDZUSQ-IOASZLSFSA-N 0 1 285.391 3.565 20 0 CHADMN C[C@H](CN1CCSc2ccccc2C1)C(F)(F)F ZINC001208901948 1117959223 /nfs/dbraw/zinc/95/92/23/1117959223.db2.gz OQEIHIKNSXVQNG-SNVBAGLBSA-N 0 1 275.339 3.793 20 0 CHADMN CC(C)c1ncc(C(=O)N(C)Cc2ccc(Cl)s2)[nH]1 ZINC000074169797 1117974688 /nfs/dbraw/zinc/97/46/88/1117974688.db2.gz YGGNCIJDHANHBR-UHFFFAOYSA-N 0 1 297.811 3.520 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cs1 ZINC001353935979 962685552 /nfs/dbraw/zinc/68/55/52/962685552.db2.gz RCSOZHJSTUFNIE-ILXRZTDVSA-N 0 1 293.432 3.522 20 0 CHADMN CC(C)(C)C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000307815359 963227681 /nfs/dbraw/zinc/22/76/81/963227681.db2.gz LJYVOQCQLGXXQQ-GFCCVEGCSA-N 0 1 293.382 3.782 20 0 CHADMN CC[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000312909673 963603904 /nfs/dbraw/zinc/60/39/04/963603904.db2.gz QTIIQPGJHJWJJK-NWDGAFQWSA-N 0 1 279.355 3.534 20 0 CHADMN O=C([O-])c1ccc(F)c(C[N@H+]2CCC3(C2)CCCCC3)c1 ZINC000314102673 963712758 /nfs/dbraw/zinc/71/27/58/963712758.db2.gz IYRBRPKNRDDBSG-UHFFFAOYSA-N 0 1 291.366 3.680 20 0 CHADMN Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ncc(C(=O)[O-])s1 ZINC000314600250 963774858 /nfs/dbraw/zinc/77/48/58/963774858.db2.gz CRARYQNRDJCSKR-GHMZBOCLSA-N 0 1 290.388 3.562 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000315873599 963944865 /nfs/dbraw/zinc/94/48/65/963944865.db2.gz AOXDTZASGBKNLK-LRDDRELGSA-N 0 1 299.370 3.733 20 0 CHADMN Cc1ccc(C)c(C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000316889721 964067571 /nfs/dbraw/zinc/06/75/71/964067571.db2.gz XHUBIMJAWOXIDW-UHFFFAOYSA-N 0 1 295.382 3.560 20 0 CHADMN CC(C)(NCc1ccc(F)cc1F)c1ccccc1 ZINC000065275123 1118036314 /nfs/dbraw/zinc/03/63/14/1118036314.db2.gz MJJFROJSHIBQAM-UHFFFAOYSA-N 0 1 261.315 3.990 20 0 CHADMN CC(C)c1nc([C@@H](C)NCC2(O)CCC(C)CC2)cs1 ZINC000120470375 1118051129 /nfs/dbraw/zinc/05/11/29/1118051129.db2.gz MAIGXDFFLBIORT-MFOWVQHXSA-N 0 1 296.480 3.858 20 0 CHADMN C[C@H]1CCCC[C@@H]1C[NH2+]Cc1c(F)ccc([O-])c1F ZINC000510177432 1118070690 /nfs/dbraw/zinc/07/06/90/1118070690.db2.gz SYEZFSFCCSLJCX-WDEREUQCSA-N 0 1 269.335 3.586 20 0 CHADMN Cc1cc(CNCc2ccc(Cl)o2)c(C)s1 ZINC000309858461 1118083805 /nfs/dbraw/zinc/08/38/05/1118083805.db2.gz LNXLYBZQXHENET-UHFFFAOYSA-N 0 1 255.770 3.901 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000062877298 967550110 /nfs/dbraw/zinc/55/01/10/967550110.db2.gz MDMFQMSBBZLVHH-OAHLLOKOSA-N 0 1 299.773 3.556 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000086784069 967575195 /nfs/dbraw/zinc/57/51/95/967575195.db2.gz PYWSRRLOSGQGRZ-ZBEGNZNMSA-N 0 1 297.345 3.603 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000094525603 967601004 /nfs/dbraw/zinc/60/10/04/967601004.db2.gz RNSGFRTWCPKFKW-GOSISDBHSA-N 0 1 287.403 3.641 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc2ccccc2c1 ZINC000263467986 967896095 /nfs/dbraw/zinc/89/60/95/967896095.db2.gz DBBDQSNOMBNAAB-DYVFJYSZSA-N 0 1 283.371 3.525 20 0 CHADMN O=C([O-])[C@@H]1C[N@@H+](CCC2=CCCCC2)Cc2ccccc21 ZINC000384761325 968123942 /nfs/dbraw/zinc/12/39/42/968123942.db2.gz AJADWIYPQFUELO-QGZVFWFLSA-N 0 1 285.387 3.561 20 0 CHADMN C[C@H](C[N@H+]1CCC[C@@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000579811173 968470545 /nfs/dbraw/zinc/47/05/45/968470545.db2.gz PFYVLRLOCFLVTQ-OLZOCXBDSA-N 0 1 295.810 3.630 20 0 CHADMN C[C@@H](C[N@H+]1CCC[C@@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000579811175 968470910 /nfs/dbraw/zinc/47/09/10/968470910.db2.gz PFYVLRLOCFLVTQ-STQMWFEESA-N 0 1 295.810 3.630 20 0 CHADMN Cc1cc(C)c(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c(C)c1 ZINC000662224289 968759055 /nfs/dbraw/zinc/75/90/55/968759055.db2.gz VPUCDLMEDBELFI-UHFFFAOYSA-N 0 1 277.408 3.545 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@@H](C)CC(C)(C)C)C1 ZINC000709274409 969038956 /nfs/dbraw/zinc/03/89/56/969038956.db2.gz BMKDIHLVEXGDER-XJKSGUPXSA-N 0 1 269.429 3.636 20 0 CHADMN CCCc1cccc(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000871621380 969348049 /nfs/dbraw/zinc/34/80/49/969348049.db2.gz ALDPNUVXBUHUMY-INIZCTEOSA-N 0 1 289.419 3.716 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903695797 969589323 /nfs/dbraw/zinc/58/93/23/969589323.db2.gz JIVDLDBIFFCDPI-AWEZNQCLSA-N 0 1 267.413 3.532 20 0 CHADMN CCCCCC[N@@H+](Cc1ccco1)[C@@H](C(=O)[O-])C1CC1 ZINC000903961087 969598216 /nfs/dbraw/zinc/59/82/16/969598216.db2.gz KOZJFUWQLDSTDQ-OAHLLOKOSA-N 0 1 279.380 3.525 20 0 CHADMN Cc1[nH+]c(NCc2cccc3ccccc32)ccc1C(=O)[O-] ZINC000317941015 970398300 /nfs/dbraw/zinc/39/83/00/970398300.db2.gz ORWNILPWPMVIBU-UHFFFAOYSA-N 0 1 292.338 3.854 20 0 CHADMN Cc1cc(Cl)cc(C[N@H+](C)C2(C(=O)[O-])CCCCC2)c1 ZINC000395216555 972781887 /nfs/dbraw/zinc/78/18/87/972781887.db2.gz KSHVRAVYMQOFRW-UHFFFAOYSA-N 0 1 295.810 3.868 20 0 CHADMN CC[C@H](C)[N@@H+](CCC1C[C@@H](C)C[C@H](C)C1)CC(=O)[O-] ZINC000442796210 974120104 /nfs/dbraw/zinc/12/01/04/974120104.db2.gz VMKMBDDNJVWHMA-IHRRRGAJSA-N 0 1 269.429 3.634 20 0 CHADMN C[C@H]([N@@H+](C)Cc1c(Cl)cccc1C(=O)[O-])C1(C)CC1 ZINC000521448445 974345019 /nfs/dbraw/zinc/34/50/19/974345019.db2.gz IAYMVPJJOPJTFN-JTQLQIEISA-N 0 1 281.783 3.659 20 0 CHADMN CC(C)C[C@H](C)C[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530167380 974359812 /nfs/dbraw/zinc/35/98/12/974359812.db2.gz AMUMWCCTNGAOPH-LBPRGKRZSA-N 0 1 293.382 3.564 20 0 CHADMN CC[C@@H](C)[N@@H+](C/C=C/c1ccc(Cl)cc1)CC(=O)[O-] ZINC000556919194 974491060 /nfs/dbraw/zinc/49/10/60/974491060.db2.gz JKKGAVFLWPHCRE-ZYOFXKKJSA-N 0 1 281.783 3.538 20 0 CHADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000565102013 974568902 /nfs/dbraw/zinc/56/89/02/974568902.db2.gz CETULJJYYIHJOI-RDJZCZTQSA-N 0 1 289.419 3.879 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000565104117 974570717 /nfs/dbraw/zinc/57/07/17/974570717.db2.gz JEWKPJONDNAXBM-AAEUAGOBSA-N 0 1 281.421 3.847 20 0 CHADMN CC[C@@H](C)C[N@@H+](C)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000565106257 974572079 /nfs/dbraw/zinc/57/20/79/974572079.db2.gz WPBGGUMUQISQLE-RNCFNFMXSA-N 0 1 287.762 3.583 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000565662692 974585756 /nfs/dbraw/zinc/58/57/56/974585756.db2.gz JBGXCRBWCFQKOZ-QWHCGFSZSA-N 0 1 279.380 3.859 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000565662691 974586123 /nfs/dbraw/zinc/58/61/23/974586123.db2.gz JBGXCRBWCFQKOZ-OLZOCXBDSA-N 0 1 279.380 3.859 20 0 CHADMN O=C([O-])CCC[N@H+]1CCCC[C@H]1CCCc1ccccc1 ZINC000565931024 974591650 /nfs/dbraw/zinc/59/16/50/974591650.db2.gz ZFPMQJYMRZDQSF-KRWDZBQOSA-N 0 1 289.419 3.729 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+]([C@@H](CC(C)C)C(=O)[O-])C1 ZINC000566364103 974610793 /nfs/dbraw/zinc/61/07/93/974610793.db2.gz YNLWYQPFWWFEOB-UXLLHSPISA-N 0 1 289.419 3.672 20 0 CHADMN O=C([O-])C1(C[N@H+]2CCC[C@@H]2c2cccc3ccccc32)CC1 ZINC000568059581 974656041 /nfs/dbraw/zinc/65/60/41/974656041.db2.gz FPJILGOJRTWSJB-QGZVFWFLSA-N 0 1 295.382 3.842 20 0 CHADMN O=C([O-])[C@H](c1ccsc1)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000568061544 974656989 /nfs/dbraw/zinc/65/69/89/974656989.db2.gz JLFLTYCJYLAGJG-HOCLYGCPSA-N 0 1 291.416 3.696 20 0 CHADMN O=C([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000568060989 974657070 /nfs/dbraw/zinc/65/70/70/974657070.db2.gz VVIHYSFCERGYNE-XHDPSFHLSA-N 0 1 293.794 3.803 20 0 CHADMN CCC(C)(C)c1ccc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000568874575 974679394 /nfs/dbraw/zinc/67/93/94/974679394.db2.gz XYEVZEZAZUWAGG-SFHVURJKSA-N 0 1 289.419 3.671 20 0 CHADMN O=C([O-])c1ccccc1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000570730092 974717460 /nfs/dbraw/zinc/71/74/60/974717460.db2.gz OHUGYZLCXVGZMT-UHFFFAOYSA-N 0 1 299.345 3.689 20 0 CHADMN CC(C)C[N@@H+](CCCc1cccc2ccccc21)CC(=O)[O-] ZINC000578660873 974860156 /nfs/dbraw/zinc/86/01/56/974860156.db2.gz ZFDMUNDIFIHUBN-UHFFFAOYSA-N 0 1 299.414 3.815 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000578660785 974860485 /nfs/dbraw/zinc/86/04/85/974860485.db2.gz VCPWLGXLKFKMIW-BBRMVZONSA-N 0 1 293.382 3.710 20 0 CHADMN Cc1cc([C@@H](C)[N@H+]2CC[C@H](C)C(C)(C)C2)oc1C(=O)[O-] ZINC000579248515 974871963 /nfs/dbraw/zinc/87/19/63/974871963.db2.gz OCQPKCYFOYPLIQ-NWDGAFQWSA-N 0 1 279.380 3.715 20 0 CHADMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cc(C(=O)[O-])ccc1Cl ZINC000580085465 974888865 /nfs/dbraw/zinc/88/88/65/974888865.db2.gz TYISVIBOHKTYAO-WDEREUQCSA-N 0 1 281.783 3.659 20 0 CHADMN CC(C)CSCCC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000593743777 974986279 /nfs/dbraw/zinc/98/62/79/974986279.db2.gz DYYZTZXLDOHJSV-UHFFFAOYSA-N 0 1 295.448 3.596 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000634697622 975275105 /nfs/dbraw/zinc/27/51/05/975275105.db2.gz NJNJTUGLBMJJCP-ZDUSSCGKSA-N 0 1 293.432 3.849 20 0 CHADMN O=C([O-])[C@H](c1ccsc1)[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000634697957 975276178 /nfs/dbraw/zinc/27/61/78/975276178.db2.gz WTAFIAZOKXPRED-HIFRSBDPSA-N 0 1 293.432 3.776 20 0 CHADMN Cc1oc(C[N@H+](C)[C@@H](C)c2ccccc2C)cc1C(=O)[O-] ZINC000652389350 975518453 /nfs/dbraw/zinc/51/84/53/975518453.db2.gz RAAODRHIYIQQLL-LBPRGKRZSA-N 0 1 287.359 3.788 20 0 CHADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000652415530 975525991 /nfs/dbraw/zinc/52/59/91/975525991.db2.gz YUGBQYVWWNVBFO-WMZOPIPTSA-N 0 1 285.387 3.635 20 0 CHADMN O=C([O-])C[C@H]1CCCC[N@H+]1C/C=C/c1ccc(Cl)cc1 ZINC000652463891 975541713 /nfs/dbraw/zinc/54/17/13/975541713.db2.gz ZKVPCJFPGPPSTC-NHZBNJEXSA-N 0 1 293.794 3.682 20 0 CHADMN O=C([O-])C[N@@H+](Cc1ccc(F)c(Cl)c1)C1CCCCC1 ZINC000652482516 975549045 /nfs/dbraw/zinc/54/90/45/975549045.db2.gz GHOOAZIBGQAILG-UHFFFAOYSA-N 0 1 299.773 3.698 20 0 CHADMN O=C([O-])C[N@@H+](Cc1ccc(F)cc1Cl)C1CCCCC1 ZINC000652482684 975552521 /nfs/dbraw/zinc/55/25/21/975552521.db2.gz PNVHMHSIUCKTPL-UHFFFAOYSA-N 0 1 299.773 3.698 20 0 CHADMN Cc1cccc(Cl)c1C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000652496211 975559409 /nfs/dbraw/zinc/55/94/09/975559409.db2.gz OFQPKGRKMTVYBF-CYBMUJFWSA-N 0 1 295.810 3.725 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCCC2(CCCC2)CC1 ZINC000656759014 975686813 /nfs/dbraw/zinc/68/68/13/975686813.db2.gz SWXAFQSCKQKPNQ-AWEZNQCLSA-N 0 1 267.413 3.676 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000656763134 975690730 /nfs/dbraw/zinc/69/07/30/975690730.db2.gz LUUUKHJPRSFBOJ-UHFFFAOYSA-N 0 1 279.380 3.688 20 0 CHADMN CC1(C)CC[N@@H+](Cc2cc(C(=O)[O-])co2)CC(C)(C)C1 ZINC000656764638 975694677 /nfs/dbraw/zinc/69/46/77/975694677.db2.gz ZPTKCEGSEXQGDO-UHFFFAOYSA-N 0 1 279.380 3.626 20 0 CHADMN CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000659804315 975895021 /nfs/dbraw/zinc/89/50/21/975895021.db2.gz WZMOHQSLUKOWCF-CMPLNLGQSA-N 0 1 267.394 3.599 20 0 CHADMN C[N@@H+](C[C@@H]1CC1(C)C)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000663318639 975943938 /nfs/dbraw/zinc/94/39/38/975943938.db2.gz WZVNOAUDBVSVCE-ZANVPECISA-N 0 1 299.773 3.583 20 0 CHADMN CC(C)c1[nH]c(C[N@@H+]([C@H](C)C2CC2)C2CC2)cc1C(=O)[O-] ZINC001591910665 976324731 /nfs/dbraw/zinc/32/47/31/976324731.db2.gz LWAXDHPSWNUSJN-LLVKDONJSA-N 0 1 290.407 3.599 20 0 CHADMN CC(C)c1[nH]c(C[N@H+]([C@H](C)C(C)C)C2CC2)cc1C(=O)[O-] ZINC001591910947 976327657 /nfs/dbraw/zinc/32/76/57/976327657.db2.gz QWQPPVMYTOKNBF-GFCCVEGCSA-N 0 1 292.423 3.845 20 0 CHADMN CC(C)c1[nH]c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1C(=O)[O-] ZINC001591912403 976344777 /nfs/dbraw/zinc/34/47/77/976344777.db2.gz MCXWPASQAMNBCI-SWLSCSKDSA-N 0 1 290.407 3.601 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000723796184 978218813 /nfs/dbraw/zinc/21/88/13/978218813.db2.gz VURGWUYPCXDCHX-GHMZBOCLSA-N 0 1 281.421 3.623 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1csc(-c2ccoc2)n1 ZINC000108360943 1118309353 /nfs/dbraw/zinc/30/93/53/1118309353.db2.gz OFWOJZVFNGNGQC-JTQLQIEISA-N 0 1 262.378 3.633 20 0 CHADMN Cc1ccsc1CN(C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000070754533 1118371371 /nfs/dbraw/zinc/37/13/71/1118371371.db2.gz YOMJQQDMMQPAJV-CQSZACIVSA-N 0 1 296.480 3.522 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1ccccc1CC(=O)[O-] ZINC000846255735 979427966 /nfs/dbraw/zinc/42/79/66/979427966.db2.gz QSQUZIKFYIHRIF-RHSMWYFYSA-N 0 1 289.419 3.714 20 0 CHADMN CC[N@@H+](CCC(C)(C)C(=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000859782803 979628633 /nfs/dbraw/zinc/62/86/33/979628633.db2.gz BHTKHHSYIHJINK-CYBMUJFWSA-N 0 1 293.407 3.579 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000871622014 979961402 /nfs/dbraw/zinc/96/14/02/979961402.db2.gz WLRUHOCVXFYYHD-CYBMUJFWSA-N 0 1 287.359 3.510 20 0 CHADMN C[C@H](C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)C(C)(C)C ZINC000872162379 980052849 /nfs/dbraw/zinc/05/28/49/980052849.db2.gz PDYUJYYSZMWCEH-QPSCCSFWSA-N 0 1 281.440 3.634 20 0 CHADMN CC[C@@]1(CCc2ccccc2)CCC[N@H+]1CCCC(=O)[O-] ZINC000880372051 980204234 /nfs/dbraw/zinc/20/42/34/980204234.db2.gz FAEYEVIXHURNPK-SFHVURJKSA-N 0 1 289.419 3.729 20 0 CHADMN CC(C)C[N@H+](CC(=O)[O-])C[C@@H](C)CC1CCCCC1 ZINC000901588866 980394740 /nfs/dbraw/zinc/39/47/40/980394740.db2.gz JNXPLVSMXBNWHV-AWEZNQCLSA-N 0 1 269.429 3.636 20 0 CHADMN C[C@H](CC[N@H+]1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000901647242 980424992 /nfs/dbraw/zinc/42/49/92/980424992.db2.gz ZFEOWEDYHQLVPR-CQSZACIVSA-N 0 1 295.382 3.894 20 0 CHADMN CC[C@@H](C)[N@@H+](CC[C@@H](C)CCC=C(C)C)CC(=O)[O-] ZINC000901986664 980667770 /nfs/dbraw/zinc/66/77/70/980667770.db2.gz AUMIDJZSAYOPBW-LSDHHAIUSA-N 0 1 269.429 3.944 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000901992094 980671392 /nfs/dbraw/zinc/67/13/92/980671392.db2.gz FXOBOCLDWUXHEG-KGLIPLIRSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)c1cccc(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])c1 ZINC000902032442 980704837 /nfs/dbraw/zinc/70/48/37/980704837.db2.gz ABBXMTCJPVOTLY-MRXNPFEDSA-N 0 1 275.392 3.639 20 0 CHADMN CC1(C)CCC[C@H](C[N@H+]2CCCCC[C@H]2C(=O)[O-])C1 ZINC000902035127 980706417 /nfs/dbraw/zinc/70/64/17/980706417.db2.gz OTJJNWOULGDJIL-KBPBESRZSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)OC1CC(N2CC[C@H]2c2cccc(F)c2)C1 ZINC000656453954 1118553888 /nfs/dbraw/zinc/55/38/88/1118553888.db2.gz GKFAACJTEXNAFC-GPANFISMSA-N 0 1 263.356 3.529 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1occc1C(=O)[O-] ZINC001595363502 980783045 /nfs/dbraw/zinc/78/30/45/980783045.db2.gz GUCUCBSZDVCEQF-HNNXBMFYSA-N 0 1 287.359 3.951 20 0 CHADMN O=C([O-])/C=C/c1ccc(C[N@H+]2CCC3(C2)CCCCC3)o1 ZINC000902323016 980831589 /nfs/dbraw/zinc/83/15/89/980831589.db2.gz PZLAAQNXXIGUGV-VOTSOKGWSA-N 0 1 289.375 3.534 20 0 CHADMN C[C@H]1C[N@@H+](CCC(C)(C)C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000902321905 980831927 /nfs/dbraw/zinc/83/19/27/980831927.db2.gz NSUDESPSHSOCNC-HOCLYGCPSA-N 0 1 289.419 3.613 20 0 CHADMN CC[C@H](C)C[N@@H+](CC)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000902397063 980869671 /nfs/dbraw/zinc/86/96/71/980869671.db2.gz IYZOPUYZUWSDFD-NSHDSACASA-N 0 1 283.799 3.906 20 0 CHADMN CC(C)(CC[N@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1)C(=O)[O-] ZINC000902470102 980902260 /nfs/dbraw/zinc/90/22/60/980902260.db2.gz YQRWDSGSIDUADS-KGLIPLIRSA-N 0 1 281.440 3.636 20 0 CHADMN O=C([O-])/C=C/c1ccc(C[N@H+]2CCC[C@H]2C2CCCC2)o1 ZINC000902512943 980915308 /nfs/dbraw/zinc/91/53/08/980915308.db2.gz QPPJWJABCROUTR-SCOAYWHSSA-N 0 1 289.375 3.532 20 0 CHADMN CC[N@@H+](Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)C1CC1 ZINC000902512825 980915334 /nfs/dbraw/zinc/91/53/34/980915334.db2.gz ODOQPNYRVNGXCA-UHFFFAOYSA-N 0 1 285.343 3.629 20 0 CHADMN O=C([O-])/C=C\c1ccc(C[N@H+]2CCC[C@@H]2C2CCCC2)o1 ZINC000902512945 980915725 /nfs/dbraw/zinc/91/57/25/980915725.db2.gz QPPJWJABCROUTR-ZBTGYSDGSA-N 0 1 289.375 3.532 20 0 CHADMN CCc1oc(C[N@H+]([C@@H](C)[C@@H](C)CC)C2CC2)cc1C(=O)[O-] ZINC000902516492 980916421 /nfs/dbraw/zinc/91/64/21/980916421.db2.gz GHAPYKQUQMIQII-RYUDHWBXSA-N 0 1 293.407 3.939 20 0 CHADMN CCc1oc(C[N@H+]2CCC[C@H]2CCC(C)C)cc1C(=O)[O-] ZINC000902529883 980923955 /nfs/dbraw/zinc/92/39/55/980923955.db2.gz OQIKXLDOGVZXGQ-ZDUSSCGKSA-N 0 1 293.407 3.941 20 0 CHADMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902545585 980928328 /nfs/dbraw/zinc/92/83/28/980928328.db2.gz IWVHFMCDKJBKKK-BLLLJJGKSA-N 0 1 298.386 3.553 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000902555736 980931302 /nfs/dbraw/zinc/93/13/02/980931302.db2.gz BAZKBSOMVONPQI-ARFHVFGLSA-N 0 1 281.440 3.802 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccccc1CC(C)C ZINC000903401360 980958445 /nfs/dbraw/zinc/95/84/45/980958445.db2.gz KJDIBWUVYGKMKJ-AWEZNQCLSA-N 0 1 277.408 3.570 20 0 CHADMN C[C@@H](c1cccc2ccccc21)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000903631223 981007730 /nfs/dbraw/zinc/00/77/30/981007730.db2.gz OUDIXTUXYXKQGQ-IJEWVQPXSA-N 0 1 297.398 3.943 20 0 CHADMN C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1occc1C(=O)[O-] ZINC000903631284 981008235 /nfs/dbraw/zinc/00/82/35/981008235.db2.gz MDBKNQQBNFFXEL-CJNGLKHVSA-N 0 1 299.370 3.746 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2CC2CCCC2)s1 ZINC000903690940 981015106 /nfs/dbraw/zinc/01/51/06/981015106.db2.gz XXDRXXSWFZMYBS-CYBMUJFWSA-N 0 1 293.432 3.991 20 0 CHADMN CC[C@@]1(C)CC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC000903898325 981027513 /nfs/dbraw/zinc/02/75/13/981027513.db2.gz OWCNSNIIHAWRBD-SFHVURJKSA-N 0 1 298.386 3.555 20 0 CHADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000903902044 981029001 /nfs/dbraw/zinc/02/90/01/981029001.db2.gz UASIKTQWUPZGBZ-HNNXBMFYSA-N 0 1 293.451 3.780 20 0 CHADMN CC(C)c1ccccc1C[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000903906539 981032221 /nfs/dbraw/zinc/03/22/21/981032221.db2.gz CXKRIOVIRCJNDK-CYBMUJFWSA-N 0 1 275.392 3.638 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(C)c(C(=O)[O-])o1 ZINC001595443779 981083435 /nfs/dbraw/zinc/08/34/35/981083435.db2.gz BHGUZGQFUGERFP-OCCSQVGLSA-N 0 1 279.380 3.687 20 0 CHADMN CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001595444179 981086379 /nfs/dbraw/zinc/08/63/79/981086379.db2.gz KDQLLJUDJDCHSH-WFASDCNBSA-N 0 1 279.380 3.687 20 0 CHADMN CC[C@H]1CCCCC[N@H+]1Cc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001595448298 981098601 /nfs/dbraw/zinc/09/86/01/981098601.db2.gz PAKGIBMFJXWVSV-AWEZNQCLSA-N 0 1 292.423 3.991 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2)C1 ZINC001595453887 981122193 /nfs/dbraw/zinc/12/21/93/981122193.db2.gz ZYEAAZWNMDWEOU-BXUZGUMPSA-N 0 1 281.783 3.588 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])c(CC)[nH]1 ZINC001595571128 981478208 /nfs/dbraw/zinc/47/82/08/981478208.db2.gz NCPPEDCPSTZXCJ-MLGOLLRUSA-N 0 1 292.423 3.676 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595574818 981493310 /nfs/dbraw/zinc/49/33/10/981493310.db2.gz XSFJRUCFISWYSG-SDDRHHMPSA-N 0 1 296.436 3.803 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595620063 981685064 /nfs/dbraw/zinc/68/50/64/981685064.db2.gz VPWLENYDYUEINC-IJLUTSLNSA-N 0 1 296.436 3.803 20 0 CHADMN C[C@@H](NC(C)(C)C(F)F)C1CCC(F)(F)CC1 ZINC000684414044 1118688146 /nfs/dbraw/zinc/68/81/46/1118688146.db2.gz QPEJBGLDJKYZKA-MRVPVSSYSA-N 0 1 255.299 3.834 20 0 CHADMN CCCC[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)[C@H]1CCC[C@H](C)C1 ZINC001595749149 982421005 /nfs/dbraw/zinc/42/10/05/982421005.db2.gz JZSZVJGWCXCSJD-ZFWWWQNUSA-N 0 1 292.423 3.894 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cccc(C(C)(C)C)c1 ZINC001594979359 982767847 /nfs/dbraw/zinc/76/78/47/982767847.db2.gz MISHRJISGMXIFF-ZDUSSCGKSA-N 0 1 277.408 3.669 20 0 CHADMN CC[C@H](C)[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1 ZINC001594985074 982796858 /nfs/dbraw/zinc/79/68/58/982796858.db2.gz GEHSKXCKMCNPJY-ZDUSSCGKSA-N 0 1 286.375 3.514 20 0 CHADMN CCC[N@H+](Cc1ccc(C(=O)[O-])[nH]1)CC1CCCCC1 ZINC001595889131 982921112 /nfs/dbraw/zinc/92/11/12/982921112.db2.gz ZDSAPHXEXTZDKP-UHFFFAOYSA-N 0 1 278.396 3.505 20 0 CHADMN C[C@H](NCc1cnc[nH]1)c1cc(F)c(Cl)cc1Cl ZINC000112337406 1125486249 /nfs/dbraw/zinc/48/62/49/1125486249.db2.gz IVRFMFLTRHISJR-ZETCQYMHSA-N 0 1 288.153 3.706 20 0 CHADMN COC(=O)c1cccc(CN(C)CCC(C)C)c1Cl ZINC000381549396 1119037001 /nfs/dbraw/zinc/03/70/01/1119037001.db2.gz UHJCQWMDWDDPAH-UHFFFAOYSA-N 0 1 283.799 3.605 20 0 CHADMN COc1ccc(F)c(CN2CCC(F)(F)C(C)(C)C2)c1 ZINC001137991275 1131447489 /nfs/dbraw/zinc/44/74/89/1131447489.db2.gz CHMJFGPLZLEXPD-UHFFFAOYSA-N 0 1 287.325 3.702 20 0 CHADMN C[C@@H](c1ccco1)N(C)Cc1c[nH]nc1-c1cccs1 ZINC000131061605 1125487805 /nfs/dbraw/zinc/48/78/05/1125487805.db2.gz RLUOZIVFQFXNPE-NSHDSACASA-N 0 1 287.388 3.924 20 0 CHADMN CC[N@@H+](CC1CCC1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001596294046 983714280 /nfs/dbraw/zinc/71/42/80/983714280.db2.gz BECAGYWQZYFLOA-CQSZACIVSA-N 0 1 281.783 3.588 20 0 CHADMN CC[N@@H+](C/C=C/c1ccc(Cl)cc1)C(C)(C)C(=O)[O-] ZINC001596299618 983725278 /nfs/dbraw/zinc/72/52/78/983725278.db2.gz RCKUJEBMJHIDQG-AATRIKPKSA-N 0 1 281.783 3.538 20 0 CHADMN CC(C)(C)c1nc(CNCCCc2nccs2)cs1 ZINC000076892412 1119188450 /nfs/dbraw/zinc/18/84/50/1119188450.db2.gz BYFHUFBVNCNPPG-UHFFFAOYSA-N 0 1 295.477 3.620 20 0 CHADMN COCc1nc(CN2CCC[C@@H](C(C)(C)C)CC2)cs1 ZINC000075747021 1119177636 /nfs/dbraw/zinc/17/76/36/1119177636.db2.gz LAWFQYVYEMEXBN-CYBMUJFWSA-N 0 1 296.480 3.938 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1Cc1ncc(COC)s1 ZINC000342918812 1119246578 /nfs/dbraw/zinc/24/65/78/1119246578.db2.gz QMZWKGVAFZVPCS-JSGCOSHPSA-N 0 1 282.453 3.690 20 0 CHADMN Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000168416051 1125490754 /nfs/dbraw/zinc/49/07/54/1125490754.db2.gz IJEAEWOQWFFWDQ-UHFFFAOYSA-N 0 1 268.160 3.909 20 0 CHADMN C/C(=C/C[N@H+]1CCCCC12CCCCCC2)C(=O)[O-] ZINC001588959929 984728193 /nfs/dbraw/zinc/72/81/93/984728193.db2.gz USEBQVVUZUMIJS-ZSOIEALJSA-N 0 1 265.397 3.596 20 0 CHADMN C[C@H]1[C@@H](C)[N@H+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)C[C@H]1C ZINC001594503450 985699010 /nfs/dbraw/zinc/69/90/10/985699010.db2.gz YRHIMRKYUHEQCO-ZSJJWGNYSA-N 0 1 299.773 3.581 20 0 CHADMN CC(=O)c1c(F)cccc1Nc1ccc2[nH]c(C)nc2c1 ZINC001213075241 1125494137 /nfs/dbraw/zinc/49/41/37/1125494137.db2.gz KUOUHFCYLYWVPJ-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)CC(C)(C)C1 ZINC001594542303 986182501 /nfs/dbraw/zinc/18/25/01/986182501.db2.gz JLEYRDDJOPSHET-NSHDSACASA-N 0 1 295.810 3.906 20 0 CHADMN Clc1ccccc1C1=CCN(C[C@H]2CCCO2)CC1 ZINC000131847936 1125496970 /nfs/dbraw/zinc/49/69/70/1125496970.db2.gz YHQLWEBHRDNTFR-CQSZACIVSA-N 0 1 277.795 3.608 20 0 CHADMN Clc1ccc2c(c1)[C@@H](NCc1ccoc1)CCCO2 ZINC000359873705 1125498582 /nfs/dbraw/zinc/49/85/82/1125498582.db2.gz QDDUKIOWKKAMMK-AWEZNQCLSA-N 0 1 277.751 3.937 20 0 CHADMN CCc1[nH]c(C[N@@H+](CC(C)C)C2CCCC2)cc1C(=O)[O-] ZINC001597380283 987571767 /nfs/dbraw/zinc/57/17/67/987571767.db2.gz DFHSLXMFGGSODR-UHFFFAOYSA-N 0 1 292.423 3.676 20 0 CHADMN C[C@H](CC(C)(C)C)Nc1cnn(-c2ccncc2)c1 ZINC000824092049 1131452793 /nfs/dbraw/zinc/45/27/93/1131452793.db2.gz SLVQWLXTMWLRKR-GFCCVEGCSA-N 0 1 258.369 3.504 20 0 CHADMN COCc1csc(CN[C@H](C)c2sccc2OC)c1 ZINC000658209577 1119702798 /nfs/dbraw/zinc/70/27/98/1119702798.db2.gz HIHGYTSWUNSZFL-SNVBAGLBSA-N 0 1 297.445 3.815 20 0 CHADMN CC(C)(C)C1=CC[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC001589726162 987905861 /nfs/dbraw/zinc/90/58/61/987905861.db2.gz AQYHCIZPSFLZRT-SREVYHEPSA-N 0 1 289.375 3.556 20 0 CHADMN CCc1ccc(C[N@@H+](CCCC(=O)[O-])CC(C)C)cc1 ZINC001597526119 988170404 /nfs/dbraw/zinc/17/04/04/988170404.db2.gz LXHFKMJGIGTFNT-UHFFFAOYSA-N 0 1 277.408 3.572 20 0 CHADMN CC(C)(C)[N@@H+](Cc1occc1C(=O)[O-])Cc1ccccc1 ZINC001589796219 988194196 /nfs/dbraw/zinc/19/41/96/988194196.db2.gz NUOOOGPHXGFJNE-UHFFFAOYSA-N 0 1 287.359 3.779 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)C[C@H]1CCCCO1 ZINC000613486441 1119938700 /nfs/dbraw/zinc/93/87/00/1119938700.db2.gz NDUQNDYHJSJGOB-CHWSQXEVSA-N 0 1 267.800 3.902 20 0 CHADMN Cc1occc1CNCc1ccc(C(F)F)c(F)c1 ZINC000892659776 1120020483 /nfs/dbraw/zinc/02/04/83/1120020483.db2.gz WTRJZCXBPYSRMG-UHFFFAOYSA-N 0 1 269.266 3.955 20 0 CHADMN C[C@H]1C[N@H+](Cc2cc(F)c([O-])c(F)c2)CCC[C@@H]1C ZINC001140988027 1120161142 /nfs/dbraw/zinc/16/11/42/1120161142.db2.gz KJTQAQLLSWVFLW-QWRGUYRKSA-N 0 1 269.335 3.538 20 0 CHADMN CCOc1ccc(F)c(F)c1CN(CC1CC1)C(C)C ZINC001143493801 1120158125 /nfs/dbraw/zinc/15/81/25/1120158125.db2.gz LLJVDDWQOVUYFK-UHFFFAOYSA-N 0 1 283.362 3.984 20 0 CHADMN CC(C)[C@@H]1C[N@@H+](Cc2ccsc2C(=O)[O-])[C@H]1C(C)C ZINC001591096123 991685776 /nfs/dbraw/zinc/68/57/76/991685776.db2.gz ABIVBSCKLNYTGU-STQMWFEESA-N 0 1 281.421 3.559 20 0 CHADMN CC(C)[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)[C@H]1C(C)C ZINC001591096651 991691441 /nfs/dbraw/zinc/69/14/41/991691441.db2.gz NMNBLKLSEJFOLU-HOCLYGCPSA-N 0 1 293.382 3.636 20 0 CHADMN CC(C)C[C@@H]1CCC[N@H+]([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001591207620 992042872 /nfs/dbraw/zinc/04/28/72/992042872.db2.gz STJDKDMEFPPZKA-RYUDHWBXSA-N 0 1 296.436 3.660 20 0 CHADMN COc1ccc(CN(C)Cc2ccsc2)cc1F ZINC000061800442 1120230893 /nfs/dbraw/zinc/23/08/93/1120230893.db2.gz ZZRJWSOJMFQHKB-UHFFFAOYSA-N 0 1 265.353 3.528 20 0 CHADMN C[C@H](Nc1cc(Br)cc2cncn21)C(C)(C)C ZINC001168686411 1120248302 /nfs/dbraw/zinc/24/83/02/1120248302.db2.gz PNPONZMSDDBBOY-VIFPVBQESA-N 0 1 296.212 3.943 20 0 CHADMN CC(C)Cc1ccccc1C[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC001591491057 992627243 /nfs/dbraw/zinc/62/72/43/992627243.db2.gz VPDKBLZPRPQSPM-UHFFFAOYSA-N 0 1 289.419 3.714 20 0 CHADMN COc1cc(CNC(C)(C)c2ccc(Cl)cc2)sn1 ZINC000660063912 1120356797 /nfs/dbraw/zinc/35/67/97/1120356797.db2.gz BCNFGXKRUNZRNQ-UHFFFAOYSA-N 0 1 296.823 3.830 20 0 CHADMN C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1cc(C(=O)[O-])co1 ZINC001593353299 994976664 /nfs/dbraw/zinc/97/66/64/994976664.db2.gz SQMKVVNEWGNRPZ-IUCAKERBSA-N 0 1 295.285 3.668 20 0 CHADMN C(CN1CCOC2(CCCC2)C1)SC1CCCCC1 ZINC000500114676 1120514446 /nfs/dbraw/zinc/51/44/46/1120514446.db2.gz JKIPVJSQVUVMOW-UHFFFAOYSA-N 0 1 283.481 3.697 20 0 CHADMN CCS[C@@H](C)c1noc(CN[C@H]2CCCC2(C)C)n1 ZINC000191290255 1120518774 /nfs/dbraw/zinc/51/87/74/1120518774.db2.gz MSILXRIMXRWVKL-QWRGUYRKSA-N 0 1 283.441 3.552 20 0 CHADMN C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1occc1C(=O)[O-] ZINC001593687283 996126687 /nfs/dbraw/zinc/12/66/87/996126687.db2.gz PPVUTIOMZYAIPT-LLVKDONJSA-N 0 1 299.326 3.917 20 0 CHADMN CCc1nc(C)c(CN2CCC(CC(F)(F)F)CC2)o1 ZINC000428962300 1120587964 /nfs/dbraw/zinc/58/79/64/1120587964.db2.gz JQAUEFCOIAVQAL-UHFFFAOYSA-N 0 1 290.329 3.710 20 0 CHADMN C[C@H](C1CCCCC1)[N@@H+](C)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001593732834 996316077 /nfs/dbraw/zinc/31/60/77/996316077.db2.gz ABEZMPUUFGTZAL-MNOVXSKESA-N 0 1 296.436 3.803 20 0 CHADMN CC1(C)CCC(C)(C)[N@@H+](C[C@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001593874649 996691262 /nfs/dbraw/zinc/69/12/62/996691262.db2.gz XLEAMSWGFIZGHJ-KGLIPLIRSA-N 0 1 281.440 3.778 20 0 CHADMN Cc1cscc1CN[C@H]1CCCc2cccnc21 ZINC000094877581 1120971507 /nfs/dbraw/zinc/97/15/07/1120971507.db2.gz OZOZJUOMXNIZIT-AWEZNQCLSA-N 0 1 258.390 3.619 20 0 CHADMN CCC(CC)N(CC)Cc1csc([C@H](C)OC)n1 ZINC000344024490 1121056803 /nfs/dbraw/zinc/05/68/03/1121056803.db2.gz IQYMHHPRCCKWPX-NSHDSACASA-N 0 1 270.442 3.861 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1CC1(CC(=O)[O-])CC1 ZINC001594270341 999044367 /nfs/dbraw/zinc/04/43/67/999044367.db2.gz STCVRGQZBCLQSA-IJEWVQPXSA-N 0 1 287.403 3.508 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001594292761 999129420 /nfs/dbraw/zinc/12/94/20/999129420.db2.gz MRAARDNPFGLIQF-YXMSTPNBSA-N 0 1 279.424 3.530 20 0 CHADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC001594293172 999131177 /nfs/dbraw/zinc/13/11/77/999131177.db2.gz QGVAFWYYLILKST-WYUUTHIRSA-N 0 1 294.420 3.555 20 0 CHADMN C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001594330197 999269297 /nfs/dbraw/zinc/26/92/97/999269297.db2.gz LMPFLUCZRZQILA-CXAGYDPISA-N 0 1 298.386 3.686 20 0 CHADMN CCC[N@@H+](Cn1c2ccccc2oc1=S)C1CC1 ZINC000728903975 1121182770 /nfs/dbraw/zinc/18/27/70/1121182770.db2.gz DHAQEXWVGSZFCN-UHFFFAOYSA-N 0 1 262.378 3.796 20 0 CHADMN CCCN(Cn1c2ccccc2oc1=S)C1CC1 ZINC000728903975 1121182773 /nfs/dbraw/zinc/18/27/73/1121182773.db2.gz DHAQEXWVGSZFCN-UHFFFAOYSA-N 0 1 262.378 3.796 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1N(C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432789606 1121351944 /nfs/dbraw/zinc/35/19/44/1121351944.db2.gz TZMHRUWBRCZFOI-OLZOCXBDSA-N 0 1 278.444 3.503 20 0 CHADMN C[C@@H]1CC2(CCC2)CN1Cc1ccc(Br)o1 ZINC000432816185 1121380730 /nfs/dbraw/zinc/38/07/30/1121380730.db2.gz NQQZHZYUYPOMEQ-SNVBAGLBSA-N 0 1 284.197 3.807 20 0 CHADMN CC(C)(C)c1nc(CNC2CC3(CCC3)C2)cs1 ZINC000676491245 1121436843 /nfs/dbraw/zinc/43/68/43/1121436843.db2.gz ZARDMMLBLNCBAG-UHFFFAOYSA-N 0 1 264.438 3.863 20 0 CHADMN C[C@H]1CC(F)(F)CCN1CCc1ccc(F)c(F)c1 ZINC000625980017 1121568025 /nfs/dbraw/zinc/56/80/25/1121568025.db2.gz VANRSDAIVVDKOI-JTQLQIEISA-N 0 1 275.289 3.627 20 0 CHADMN C[C@@H]1CC(F)(F)CCN1CCc1c(F)cccc1F ZINC000625981254 1121568287 /nfs/dbraw/zinc/56/82/87/1121568287.db2.gz LXWJWOIPPUGFQN-SNVBAGLBSA-N 0 1 275.289 3.627 20 0 CHADMN CCS[C@H]1CCCCN(Cc2ncc(C(C)C)o2)C1 ZINC000733309981 1121974319 /nfs/dbraw/zinc/97/43/19/1121974319.db2.gz DZUOFXCBVNYMAQ-ZDUSSCGKSA-N 0 1 282.453 3.906 20 0 CHADMN CO[C@@H](CN[C@H](C)c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000733323079 1121976233 /nfs/dbraw/zinc/97/62/33/1121976233.db2.gz DSFWZVKVUSWTOQ-HQJQHLMTSA-N 0 1 299.695 3.707 20 0 CHADMN Cc1c(Cl)c(CN2[C@H](C)C[C@@H]3CCCC[C@H]32)nn1C ZINC000421318506 1122092018 /nfs/dbraw/zinc/09/20/18/1122092018.db2.gz FZQKIGYKPNOFIY-SCDSUCTJSA-N 0 1 281.831 3.535 20 0 CHADMN Cc1cnn(C)c1CN(C(C)C)[C@@H](C)c1ccsc1 ZINC000421371987 1122103345 /nfs/dbraw/zinc/10/33/45/1122103345.db2.gz LMHMBIBVDATGGX-ZDUSSCGKSA-N 0 1 277.437 3.762 20 0 CHADMN CC(C)(C)C[C@H]1CCN(Cc2c(F)ccc(O)c2F)C1 ZINC001182410807 1122150259 /nfs/dbraw/zinc/15/02/59/1122150259.db2.gz UQPFRGUIAHBEOU-LLVKDONJSA-N 0 1 283.362 3.929 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(C)cc2Cl)CCCO1 ZINC000439469270 1122782558 /nfs/dbraw/zinc/78/25/58/1122782558.db2.gz MHIJZYCGPDMZRD-CQSZACIVSA-N 0 1 267.800 3.649 20 0 CHADMN Fc1ccc(Br)cc1CN1CC[C@@H]2CCC[C@H]21 ZINC000426462168 1122799669 /nfs/dbraw/zinc/79/96/69/1122799669.db2.gz UUNSQODBZAXYIF-IINYFYTJSA-N 0 1 298.199 3.963 20 0 CHADMN CCN(Cc1noc2c1CCCC2)C1CC(C)(C)C1 ZINC000665249109 1123258262 /nfs/dbraw/zinc/25/82/62/1123258262.db2.gz DEZXNWLLTFRUQA-UHFFFAOYSA-N 0 1 262.397 3.564 20 0 CHADMN COc1ccc([C@H](C)N[C@@H]2C=CCC2)c(Br)c1 ZINC000850508528 1123276881 /nfs/dbraw/zinc/27/68/81/1123276881.db2.gz JUFACHOYKAUXLP-WDEREUQCSA-N 0 1 296.208 3.827 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1C[C@@H](C)OC[C@@H]1C ZINC000443417763 1123396377 /nfs/dbraw/zinc/39/63/77/1123396377.db2.gz QVWOLPIPCXKISC-NWDGAFQWSA-N 0 1 287.325 3.623 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1csc(C)c1C ZINC000631117967 1123464693 /nfs/dbraw/zinc/46/46/93/1123464693.db2.gz CNLOOQPFLOWJAV-LLVKDONJSA-N 0 1 276.405 3.619 20 0 CHADMN C[C@@H](CN(C)Cc1ccns1)c1cc(F)cc(F)c1 ZINC000895451681 1123481599 /nfs/dbraw/zinc/48/15/99/1123481599.db2.gz DAEKJSUQPMTBOV-JTQLQIEISA-N 0 1 282.359 3.657 20 0 CHADMN CCc1nnc([C@@H](C)N2CCCC(CC)(CC)CC2)o1 ZINC000346467186 1123687803 /nfs/dbraw/zinc/68/78/03/1123687803.db2.gz JTKQVZZQNBIFTO-CYBMUJFWSA-N 0 1 279.428 3.985 20 0 CHADMN CC(C)c1nc([C@@H](C)NCCc2ccco2)cs1 ZINC000346599431 1123699069 /nfs/dbraw/zinc/69/90/69/1123699069.db2.gz GMDSSSSTPOGQBF-LLVKDONJSA-N 0 1 264.394 3.753 20 0 CHADMN CCCN(C)Cc1csc(-c2cccc(OC)c2)n1 ZINC000063761575 1123811081 /nfs/dbraw/zinc/81/10/81/1123811081.db2.gz HZVYHPYCBMDZNH-UHFFFAOYSA-N 0 1 276.405 3.661 20 0 CHADMN Cc1cccc(C)c1CNCc1cnc(Cl)c(F)c1 ZINC000865495121 1123989628 /nfs/dbraw/zinc/98/96/28/1123989628.db2.gz JBIXXYHJWHPTHP-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN CC(C)=CCN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449277117 1124681819 /nfs/dbraw/zinc/68/18/19/1124681819.db2.gz DQIXEPQGMIRFBY-LLVKDONJSA-N 0 1 255.283 3.647 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2nccnc2C)cs1 ZINC000872135031 1124693810 /nfs/dbraw/zinc/69/38/10/1124693810.db2.gz URMTWHXEBHBATA-ZYHUDNBSSA-N 0 1 261.394 3.567 20 0 CHADMN COC[C@]1(C)CCN(Cc2cscc2C(F)(F)F)C1 ZINC000449398315 1124713402 /nfs/dbraw/zinc/71/34/02/1124713402.db2.gz XRRIUQJJAICBGW-GFCCVEGCSA-N 0 1 293.354 3.625 20 0 CHADMN CC(C)n1cc(CN2CC[C@H](C(F)(F)F)C[C@H]2C)cn1 ZINC000449457340 1124747857 /nfs/dbraw/zinc/74/78/57/1124747857.db2.gz FWSMGMWDTZCYOO-YPMHNXCESA-N 0 1 289.345 3.627 20 0 CHADMN C[C@@H](CC1CCCC1)NCc1ncc(C(F)(F)F)cn1 ZINC000449469813 1124751953 /nfs/dbraw/zinc/75/19/53/1124751953.db2.gz ILFHRCBZKRCZOT-JTQLQIEISA-N 0 1 287.329 3.554 20 0 CHADMN Cc1nnc([C@@H](C)N(C)C[C@@H](C)C2CCCCC2)o1 ZINC000528775695 1124801355 /nfs/dbraw/zinc/80/13/55/1124801355.db2.gz YDLZVJJPHTZLCO-VXGBXAGGSA-N 0 1 265.401 3.587 20 0 CHADMN CCC[C@@H](C)N(C)Cc1ncc(Br)cc1F ZINC000529523552 1124983917 /nfs/dbraw/zinc/98/39/17/1124983917.db2.gz UUGBAZGDKMDGKJ-SECBINFHSA-N 0 1 289.192 3.604 20 0 CHADMN Clc1csc(CNCCc2ccc(Cl)cc2)n1 ZINC000876885721 1124986852 /nfs/dbraw/zinc/98/68/52/1124986852.db2.gz PAMXUPWVKYIMFO-UHFFFAOYSA-N 0 1 287.215 3.782 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(Cl)c2)cn1 ZINC000121825866 1125156652 /nfs/dbraw/zinc/15/66/52/1125156652.db2.gz JYDGASHTTUXCOP-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1ncsc1CN1CCc2ccsc2[C@@H]1C ZINC000880376056 1125270083 /nfs/dbraw/zinc/27/00/83/1125270083.db2.gz CJNUKOKVFMXMCD-JTQLQIEISA-N 0 1 264.419 3.632 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000213433596 1125361399 /nfs/dbraw/zinc/36/13/99/1125361399.db2.gz BOPFNQAMSMKOLQ-OAHLLOKOSA-N 0 1 261.365 3.539 20 0 CHADMN C[C@@H](NC(=O)c1ccc(F)cc1O)c1ccc(Cl)s1 ZINC000228307778 1125429911 /nfs/dbraw/zinc/42/99/11/1125429911.db2.gz XTYRUYPHEJMHSQ-SSDOTTSWSA-N 0 1 299.754 3.737 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(F)c(OC)c(F)c1 ZINC001138425608 1131503905 /nfs/dbraw/zinc/50/39/05/1131503905.db2.gz ZKGMVXUWSQZAPK-GFCCVEGCSA-N 0 1 269.335 3.738 20 0 CHADMN CC(C)CCN(CCC(C)C)Cc1c(N)ncnc1Cl ZINC001139441430 1131608883 /nfs/dbraw/zinc/60/88/83/1131608883.db2.gz AVMHVOISYFCNCU-UHFFFAOYSA-N 0 1 298.862 3.606 20 0 CHADMN Cc1cnc(Cl)c(CN2CCC23CCCCC3)c1 ZINC001139589183 1131618750 /nfs/dbraw/zinc/61/87/50/1131618750.db2.gz FCOACVKITSDGLF-UHFFFAOYSA-N 0 1 264.800 3.952 20 0 CHADMN CCC1(C[N@@H+](C)Cc2cccc(Cl)c2Cl)COC1 ZINC001202962814 1131631599 /nfs/dbraw/zinc/63/15/99/1131631599.db2.gz ODOBVZHDGJODQS-UHFFFAOYSA-N 0 1 288.218 3.852 20 0 CHADMN CCC1(CN(C)Cc2cccc(Cl)c2Cl)COC1 ZINC001202962814 1131631603 /nfs/dbraw/zinc/63/16/03/1131631603.db2.gz ODOBVZHDGJODQS-UHFFFAOYSA-N 0 1 288.218 3.852 20 0 CHADMN CCCCC1CCN(Cc2cnc(OC)s2)CC1 ZINC001139813588 1131639369 /nfs/dbraw/zinc/63/93/69/1131639369.db2.gz QXRFXXZNBMQIRS-UHFFFAOYSA-N 0 1 268.426 3.554 20 0 CHADMN CCCN(CCOC)Cc1ccc(C)cc1Cl ZINC001140796399 1131922533 /nfs/dbraw/zinc/92/25/33/1131922533.db2.gz GWBBPMHKRXYFPR-UHFFFAOYSA-N 0 1 255.789 3.507 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1cnccc1C(F)(F)F ZINC001140914508 1131961642 /nfs/dbraw/zinc/96/16/42/1131961642.db2.gz LTWGGBXKXVRYFS-GHMZBOCLSA-N 0 1 272.314 3.863 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccns2)cc1F ZINC000715933719 1131998938 /nfs/dbraw/zinc/99/89/38/1131998938.db2.gz SYKOVZIONLVIMN-NXEZZACHSA-N 0 1 280.368 3.703 20 0 CHADMN CC(=O)[C@@H]1CCCN1Cc1cccc(C(C)(C)C)c1 ZINC001141106377 1132020145 /nfs/dbraw/zinc/02/01/45/1132020145.db2.gz ZEKSYNGGPQZUJV-INIZCTEOSA-N 0 1 259.393 3.538 20 0 CHADMN CCOC(=O)[C@@H](NCC(CC)CC)C1CCCCCC1 ZINC001171613522 1132065082 /nfs/dbraw/zinc/06/50/82/1132065082.db2.gz LLOVSSKWUUSUHY-INIZCTEOSA-N 0 1 283.456 3.914 20 0 CHADMN CCCCCC[C@@H](CCC)N1CCc2ncn(C)c2C1 ZINC001172384927 1132210708 /nfs/dbraw/zinc/21/07/08/1132210708.db2.gz XEDURSIFOVIQJF-OAHLLOKOSA-N 0 1 277.456 3.917 20 0 CHADMN CC[C@H](C)CC[C@H](C)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047352 1132247673 /nfs/dbraw/zinc/24/76/73/1132247673.db2.gz QDHOOZWEWQWSSB-IUCAKERBSA-N 0 1 282.775 3.600 20 0 CHADMN CO[C@H]1CCCN([C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172848793 1132337632 /nfs/dbraw/zinc/33/76/32/1132337632.db2.gz GNPYJIPKRDZQIW-NEPJUHHUSA-N 0 1 285.790 3.521 20 0 CHADMN Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H](C)C2)c(Cl)n1 ZINC001142125133 1132330207 /nfs/dbraw/zinc/33/02/07/1132330207.db2.gz KNTPWEXUCURLNT-NEPJUHHUSA-N 0 1 266.816 3.911 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([O-])c2)C[C@H]1C ZINC001231733278 1132349361 /nfs/dbraw/zinc/34/93/61/1132349361.db2.gz QFHVMCYAQWXOQF-NWDGAFQWSA-N 0 1 267.800 3.914 20 0 CHADMN CC[C@H]1CCC[N@H+](Cc2ccc(Cl)c([O-])c2)C1 ZINC001231737953 1132351081 /nfs/dbraw/zinc/35/10/81/1132351081.db2.gz ZFSMBFLHEVHENL-NSHDSACASA-N 0 1 253.773 3.668 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([O-])c2)C1 ZINC001231737953 1132351088 /nfs/dbraw/zinc/35/10/88/1132351088.db2.gz ZFSMBFLHEVHENL-NSHDSACASA-N 0 1 253.773 3.668 20 0 CHADMN C[C@H](CSc1ccc(Cl)cc1)N1CCOC2(CC2)C1 ZINC001172884376 1132358280 /nfs/dbraw/zinc/35/82/80/1132358280.db2.gz CALDMZAZCACSNM-GFCCVEGCSA-N 0 1 297.851 3.685 20 0 CHADMN C[C@H](CSc1ccc(Cl)cc1)N1CC[C@@H](F)C1 ZINC001172876837 1132356979 /nfs/dbraw/zinc/35/69/79/1132356979.db2.gz OEYQDSBVIWXBBO-ZYHUDNBSSA-N 0 1 273.804 3.864 20 0 CHADMN C[C@@H]1C[N@H+](C2CCC3(CCCCC3)CC2)CCC1=O ZINC001173118046 1132397849 /nfs/dbraw/zinc/39/78/49/1132397849.db2.gz RAICHNFSRXRBMJ-CQSZACIVSA-N 0 1 263.425 3.790 20 0 CHADMN C[C@@H]1CN(C2CCC3(CCCCC3)CC2)CCC1=O ZINC001173118046 1132397855 /nfs/dbraw/zinc/39/78/55/1132397855.db2.gz RAICHNFSRXRBMJ-CQSZACIVSA-N 0 1 263.425 3.790 20 0 CHADMN CCCC[C@H](CC(C)C)N1CC(F)(F)CC[C@H]1CO ZINC001173257650 1132425055 /nfs/dbraw/zinc/42/50/55/1132425055.db2.gz KOZPXICGFAIESX-KGLIPLIRSA-N 0 1 277.399 3.683 20 0 CHADMN Cc1nc(Br)ccc1CN1CCC[C@@H]1C(C)C ZINC001232325529 1132454557 /nfs/dbraw/zinc/45/45/57/1132454557.db2.gz UDAWXOBTTCWKJI-CYBMUJFWSA-N 0 1 297.240 3.773 20 0 CHADMN COc1cc(Cl)cc(F)c1CN1C[C@@H]2CCC[C@@H]2C1 ZINC001233001205 1132559868 /nfs/dbraw/zinc/55/98/68/1132559868.db2.gz ZTLCJFULYPOSPM-PHIMTYICSA-N 0 1 283.774 3.720 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC001151253588 1132566593 /nfs/dbraw/zinc/56/65/93/1132566593.db2.gz YLTQVPPIOQCUOV-ARFHVFGLSA-N 0 1 282.472 3.534 20 0 CHADMN Fc1c(Cl)ccc(CN2C[C@@H]3CCC[C@H]3C2)c1F ZINC001233206969 1132581146 /nfs/dbraw/zinc/58/11/46/1132581146.db2.gz FYXHUWSHNLXPJS-UWVGGRQHSA-N 0 1 271.738 3.850 20 0 CHADMN FC(F)(F)c1cc(CN2C[C@@H]3CCC[C@@H]3C2)cs1 ZINC001233174574 1132578662 /nfs/dbraw/zinc/57/86/62/1132578662.db2.gz REKPDRGQATXIJO-PHIMTYICSA-N 0 1 275.339 3.999 20 0 CHADMN CSc1cccc(Cl)c1CN1CCC2(CCO2)CC1 ZINC001233352494 1132607552 /nfs/dbraw/zinc/60/75/52/1132607552.db2.gz HJSOLHIXMNZBIA-UHFFFAOYSA-N 0 1 297.851 3.817 20 0 CHADMN COCCN(Cc1c(Cl)cccc1SC)C(C)C ZINC001233352497 1132608194 /nfs/dbraw/zinc/60/81/94/1132608194.db2.gz HKMKBDAKYPWLLU-UHFFFAOYSA-N 0 1 287.856 3.919 20 0 CHADMN Cc1cnc(NCc2c(Cl)ccc(C)c2F)c(N)c1 ZINC001155832595 1132666639 /nfs/dbraw/zinc/66/66/39/1132666639.db2.gz GMHUNLMGUQMHKC-UHFFFAOYSA-N 0 1 279.746 3.685 20 0 CHADMN CCc1cc(CN(C)[C@@H](CC)c2ccccc2)on1 ZINC001203225960 1133306393 /nfs/dbraw/zinc/30/63/93/1133306393.db2.gz APEOHSGDDNGOER-INIZCTEOSA-N 0 1 258.365 3.820 20 0 CHADMN C[C@@H]1CCCCN(Cc2cc(F)c(F)c(F)c2)C1 ZINC001204527428 1133458372 /nfs/dbraw/zinc/45/83/72/1133458372.db2.gz UGSDGZMJDFQZSD-SNVBAGLBSA-N 0 1 257.299 3.726 20 0 CHADMN CC(C)[C@@H]1C[C@H](N[C@H](CF)c2ccc(F)cc2)CS1 ZINC001207224882 1133780017 /nfs/dbraw/zinc/78/00/17/1133780017.db2.gz AWRLYFMZXAPMGJ-ZNMIVQPWSA-N 0 1 285.403 3.956 20 0 CHADMN CCOc1cc(Nc2ccc(Cl)c(O)c2F)ccn1 ZINC001214794131 1134573628 /nfs/dbraw/zinc/57/36/28/1134573628.db2.gz ZVPYOTYQODUPPU-UHFFFAOYSA-N 0 1 282.702 3.722 20 0 CHADMN CN1CCC(OC(Cl)(Cl)c2ccc(F)cc2)CC1 ZINC001223924841 1135398133 /nfs/dbraw/zinc/39/81/33/1135398133.db2.gz YKZOFYUJMSWDGV-UHFFFAOYSA-N 0 1 292.181 3.524 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2cc(C)ccc2C)no1 ZINC000133718994 1125512644 /nfs/dbraw/zinc/51/26/44/1125512644.db2.gz IAMCBMOQKIDHOB-QGZVFWFLSA-N 0 1 270.376 3.937 20 0 CHADMN Cc1cccc(NC(=O)Nc2c(O)cc(F)cc2F)c1C ZINC001202701013 1125518927 /nfs/dbraw/zinc/51/89/27/1125518927.db2.gz LWIMABDKFMQMQT-UHFFFAOYSA-N 0 1 292.285 3.931 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cc2nccs2)CC1 ZINC000135084483 1125521515 /nfs/dbraw/zinc/52/15/15/1125521515.db2.gz QGHPQVOUZQCAJR-GFCCVEGCSA-N 0 1 252.427 3.791 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)C1CCC1)c1cnccn1 ZINC000119254994 1125530354 /nfs/dbraw/zinc/53/03/54/1125530354.db2.gz PAYUQFUQSGQSBJ-SUMWQHHRSA-N 0 1 267.376 3.669 20 0 CHADMN CC[C@@H](NCc1ccc(C)cc1SC)c1cnn(C)c1 ZINC000119266881 1125530892 /nfs/dbraw/zinc/53/08/92/1125530892.db2.gz RLKMURODHXYTHR-OAHLLOKOSA-N 0 1 289.448 3.691 20 0 CHADMN CC[C@H](C)CN[C@H](c1nccs1)c1ccccc1 ZINC000119409762 1125534566 /nfs/dbraw/zinc/53/45/66/1125534566.db2.gz UTYJRXUGXSIEDA-JSGCOSHPSA-N 0 1 260.406 3.868 20 0 CHADMN CC[C@H](NCc1oc2ccccc2c1C)c1cnn(C)c1 ZINC000119974443 1125539284 /nfs/dbraw/zinc/53/92/84/1125539284.db2.gz UCKYLKBTUQDXCZ-HNNXBMFYSA-N 0 1 283.375 3.716 20 0 CHADMN C(c1nc(C2CC2)no1)N1CCC[C@H]1CC1CCCCC1 ZINC000057871634 1125540200 /nfs/dbraw/zinc/54/02/00/1125540200.db2.gz XTYGEJZUAWCHQC-HNNXBMFYSA-N 0 1 289.423 3.882 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2ccc(Br)cn2)C1 ZINC000167562950 1125542965 /nfs/dbraw/zinc/54/29/65/1125542965.db2.gz IWSOUEIXUJDNJL-UTUOFQBUSA-N 0 1 297.240 3.711 20 0 CHADMN C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCC1CCOCC1 ZINC000120627766 1125548973 /nfs/dbraw/zinc/54/89/73/1125548973.db2.gz JHDBQPQQGBLNLS-GFCCVEGCSA-N 0 1 283.362 3.774 20 0 CHADMN Cc1ccoc1CN(C)CCOC1CCCCCC1 ZINC000429392868 1125549056 /nfs/dbraw/zinc/54/90/56/1125549056.db2.gz JITATJGGYCMAPV-UHFFFAOYSA-N 0 1 265.397 3.759 20 0 CHADMN Fc1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)c(Cl)c1 ZINC000193991745 1125551443 /nfs/dbraw/zinc/55/14/43/1125551443.db2.gz CELGOHHYXGKIBT-GFCCVEGCSA-N 0 1 293.773 3.582 20 0 CHADMN CCC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000195374566 1125560397 /nfs/dbraw/zinc/56/03/97/1125560397.db2.gz BQIXSKGSOCDPQX-CZUORRHYSA-N 0 1 299.418 3.971 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(C(F)(F)F)cc2)nn1 ZINC000396635701 1125565910 /nfs/dbraw/zinc/56/59/10/1125565910.db2.gz ZKDHKONEFCQLFW-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN Cc1nc2cc(Nc3cc(Cl)cc(CO)c3)ccc2[nH]1 ZINC001213075311 1125566850 /nfs/dbraw/zinc/56/68/50/1125566850.db2.gz NVZXUOAIOMPZSR-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN c1sc(C2CC2)nc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000245573015 1125583273 /nfs/dbraw/zinc/58/32/73/1125583273.db2.gz AAEYZMYXAQDFFR-SMDDNHRTSA-N 0 1 262.422 3.785 20 0 CHADMN C[C@@H]1CCN(Cc2cnn3ccccc23)[C@@H](c2ccco2)C1 ZINC000245766204 1125593686 /nfs/dbraw/zinc/59/36/86/1125593686.db2.gz QVCRYAARWRQCSE-RHSMWYFYSA-N 0 1 295.386 3.901 20 0 CHADMN C[C@H]1CCCN(Cc2nc3cc(F)ccc3o2)[C@H]1C ZINC000246224654 1125613107 /nfs/dbraw/zinc/61/31/07/1125613107.db2.gz LXXRHBPSDCMMEC-QWRGUYRKSA-N 0 1 262.328 3.587 20 0 CHADMN Cc1noc(C)c1C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000067712307 1125626014 /nfs/dbraw/zinc/62/60/14/1125626014.db2.gz BUMOYHHXDKFTDQ-GOSISDBHSA-N 0 1 282.387 3.943 20 0 CHADMN Cc1noc(C)c1CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000067712307 1125626016 /nfs/dbraw/zinc/62/60/16/1125626016.db2.gz BUMOYHHXDKFTDQ-GOSISDBHSA-N 0 1 282.387 3.943 20 0 CHADMN CCC[N@@H+](Cc1ncc(-c2cccs2)o1)C1CC1 ZINC000067399474 1125626409 /nfs/dbraw/zinc/62/64/09/1125626409.db2.gz JALFSRIGWHFBSV-UHFFFAOYSA-N 0 1 262.378 3.778 20 0 CHADMN CCCN(Cc1ncc(-c2cccs2)o1)C1CC1 ZINC000067399474 1125626412 /nfs/dbraw/zinc/62/64/12/1125626412.db2.gz JALFSRIGWHFBSV-UHFFFAOYSA-N 0 1 262.378 3.778 20 0 CHADMN COc1cc(C)c([C@H](C)NCc2cc(C)co2)cc1OC ZINC000885922322 1125626730 /nfs/dbraw/zinc/62/67/30/1125626730.db2.gz ASMYPYPQRVWTSX-ZDUSSCGKSA-N 0 1 289.375 3.764 20 0 CHADMN Cc1n[nH]c(CN[C@H](C)c2cccc(OC(C)C)c2)c1C ZINC000885923962 1125627785 /nfs/dbraw/zinc/62/77/85/1125627785.db2.gz GDNVTMRELYDLHW-CQSZACIVSA-N 0 1 287.407 3.665 20 0 CHADMN COc1ccccc1[C@@H]1CCCN1Cc1c(C)noc1C ZINC000069086465 1125629149 /nfs/dbraw/zinc/62/91/49/1125629149.db2.gz SBGLCFGXFKHCDP-INIZCTEOSA-N 0 1 286.375 3.637 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1Cc1nc([C@@H](C)OCC)no1 ZINC000072775304 1125635294 /nfs/dbraw/zinc/63/52/94/1125635294.db2.gz AJARYHANCWYADO-MGPQQGTHSA-N 0 1 295.427 3.568 20 0 CHADMN Cc1nc(CNC/C=C\c2cccc(F)c2)sc1C ZINC000886005640 1125635935 /nfs/dbraw/zinc/63/59/35/1125635935.db2.gz GSNCPHCDKCZBSO-XQRVVYSFSA-N 0 1 276.380 3.702 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1nnc(C(C)C)o1 ZINC000072776034 1125636745 /nfs/dbraw/zinc/63/67/45/1125636745.db2.gz SDAHGVKMHKYQCC-QWHCGFSZSA-N 0 1 265.401 3.594 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1Cc1nnc(C(C)C)o1 ZINC000072776029 1125637279 /nfs/dbraw/zinc/63/72/79/1125637279.db2.gz SDAHGVKMHKYQCC-CHWSQXEVSA-N 0 1 265.401 3.594 20 0 CHADMN Cc1[nH]nc(CNc2ccc(SC(F)F)cc2)c1C ZINC000886025843 1125637542 /nfs/dbraw/zinc/63/75/42/1125637542.db2.gz KXRXLBXHSIZJOX-UHFFFAOYSA-N 0 1 283.347 3.953 20 0 CHADMN CC(C)c1ccc(CN(C)Cc2ccccn2)cc1 ZINC000073394440 1125638416 /nfs/dbraw/zinc/63/84/16/1125638416.db2.gz JMYHETSXHTVVFA-UHFFFAOYSA-N 0 1 254.377 3.837 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3ccccc3Cl)c2[nH]1 ZINC000074732632 1125642421 /nfs/dbraw/zinc/64/24/21/1125642421.db2.gz VXNNFKXZJBBHCK-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN Cc1coc(CNCc2ccc(C(F)F)cc2)c1 ZINC000886065149 1125643668 /nfs/dbraw/zinc/64/36/68/1125643668.db2.gz QMPTYWNVCCKCMA-UHFFFAOYSA-N 0 1 251.276 3.815 20 0 CHADMN Cc1[nH]nc(CNc2ccc(Br)c(F)c2)c1C ZINC000886086071 1125644864 /nfs/dbraw/zinc/64/48/64/1125644864.db2.gz GXVYNERYJJWHFM-UHFFFAOYSA-N 0 1 298.159 3.540 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2CCC[C@@H](C)[C@H]2C)c(C)c1 ZINC000246565418 1125645521 /nfs/dbraw/zinc/64/55/21/1125645521.db2.gz DPLCRHPPQJLENH-CZUORRHYSA-N 0 1 288.435 3.671 20 0 CHADMN Cc1nc2cc(Nc3cccc4c3OCC4)ccc2[nH]1 ZINC001213075440 1125646325 /nfs/dbraw/zinc/64/63/25/1125646325.db2.gz SPGKMZPUFRPFRU-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN COc1ccc(CNCc2cscc2C)c(F)c1OC ZINC000886094291 1125646373 /nfs/dbraw/zinc/64/63/73/1125646373.db2.gz OQEHIKITNNHEBM-UHFFFAOYSA-N 0 1 295.379 3.503 20 0 CHADMN C[C@@H]1CCCN(Cc2nccn2Cc2ccccc2)[C@H]1C ZINC000246738726 1125646786 /nfs/dbraw/zinc/64/67/86/1125646786.db2.gz MPEUACCEESHQMJ-CVEARBPZSA-N 0 1 283.419 3.552 20 0 CHADMN Cc1nc(CN2C[C@H](c3ccc(F)cc3)C[C@H]2C)cs1 ZINC000246711183 1125646883 /nfs/dbraw/zinc/64/68/83/1125646883.db2.gz GZCAUOKDKYKRRM-BXUZGUMPSA-N 0 1 290.407 3.969 20 0 CHADMN Cn1c(Nc2ccnn2-c2ccncc2)cc2ccccc21 ZINC001212044443 1125661163 /nfs/dbraw/zinc/66/11/63/1125661163.db2.gz DCTWXGSZEMOSCK-UHFFFAOYSA-N 0 1 289.342 3.503 20 0 CHADMN Cc1cnc(CN2CCC[C@H]2c2cccc(C)c2)o1 ZINC000075644220 1125652981 /nfs/dbraw/zinc/65/29/81/1125652981.db2.gz LGSJPIWBQVQCPR-HNNXBMFYSA-N 0 1 256.349 3.629 20 0 CHADMN CCC[N@@H+](Cc1nc(C)c(C)o1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000247169482 1125654949 /nfs/dbraw/zinc/65/49/49/1125654949.db2.gz ZZUYZPGQLSWRCQ-LSDHHAIUSA-N 0 1 294.439 3.707 20 0 CHADMN CCCN(Cc1nc(C)c(C)o1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000247169482 1125654954 /nfs/dbraw/zinc/65/49/54/1125654954.db2.gz ZZUYZPGQLSWRCQ-LSDHHAIUSA-N 0 1 294.439 3.707 20 0 CHADMN Cc1noc(C)c1CN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000247475425 1125656179 /nfs/dbraw/zinc/65/61/79/1125656179.db2.gz JPZNPUDRCSWOEY-NHYWBVRUSA-N 0 1 274.364 3.858 20 0 CHADMN c1cc(-c2noc(CN3CCC[C@@H]4CCC[C@H]43)n2)cs1 ZINC000247458780 1125656523 /nfs/dbraw/zinc/65/65/23/1125656523.db2.gz IDNCWUCDACKSSN-WCQYABFASA-N 0 1 289.404 3.563 20 0 CHADMN Cc1cnc(CN2CC[C@@H](c3ccccc3)[C@H](C)C2)o1 ZINC000075768390 1125656801 /nfs/dbraw/zinc/65/68/01/1125656801.db2.gz JKICTHAPBQEMQR-CZUORRHYSA-N 0 1 270.376 3.609 20 0 CHADMN Cc1nnc([C@H](C)N2CCCC3(C2)CCCCCC3)o1 ZINC000075968391 1125661755 /nfs/dbraw/zinc/66/17/55/1125661755.db2.gz GORBOSZCXXEGNE-ZDUSSCGKSA-N 0 1 277.412 3.875 20 0 CHADMN CC(C)N(C)c1ccc(CN(C)[C@H](C)c2ccncc2)cn1 ZINC000248907600 1125675662 /nfs/dbraw/zinc/67/56/62/1125675662.db2.gz WWQXDYAEDWFMPY-OAHLLOKOSA-N 0 1 298.434 3.514 20 0 CHADMN CC(C)[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)c1cnn(C)c1 ZINC000886507741 1125681208 /nfs/dbraw/zinc/68/12/08/1125681208.db2.gz XDXDVIIUQQBCJR-MJEQTWJJSA-N 0 1 287.407 3.623 20 0 CHADMN CCOc1cccc([C@H](C)N[C@H]2CCc3cccnc32)c1 ZINC000886517939 1125682859 /nfs/dbraw/zinc/68/28/59/1125682859.db2.gz XNGGLXYRQDZESS-GUYCJALGSA-N 0 1 282.387 3.818 20 0 CHADMN Clc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2cccnc21 ZINC000886516632 1125683309 /nfs/dbraw/zinc/68/33/09/1125683309.db2.gz RCCCJIUEFKSNNC-JKSUJKDBSA-N 0 1 284.790 3.999 20 0 CHADMN Cc1c2ccccc2oc1CN[C@H](c1cnn(C)c1)C(C)C ZINC000886529238 1125683905 /nfs/dbraw/zinc/68/39/05/1125683905.db2.gz ZIVFVCIFQZNYEW-SFHVURJKSA-N 0 1 297.402 3.962 20 0 CHADMN C/C=C\C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000629375583 1125689137 /nfs/dbraw/zinc/68/91/37/1125689137.db2.gz JKZPXZONYRGSNE-ZRMMWKCHSA-N 0 1 291.366 3.702 20 0 CHADMN COc1cccc([C@@H](C)NCc2cnc(C(C)(C)C)nc2)c1 ZINC000284311075 1125691703 /nfs/dbraw/zinc/69/17/03/1125691703.db2.gz JKHPDXTVXYCSKC-CYBMUJFWSA-N 0 1 299.418 3.634 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CCCCCC2)[C@@H]2CCC[C@H]21 ZINC000629378643 1125694384 /nfs/dbraw/zinc/69/43/84/1125694384.db2.gz SPABVNVJNJZGBR-GVDBMIGSSA-N 0 1 293.451 3.922 20 0 CHADMN C[C@@H]1CN(Cc2csc3ccccc23)C[C@H](C)O1 ZINC000077409840 1125694552 /nfs/dbraw/zinc/69/45/52/1125694552.db2.gz VVAAZHFGRNSYPC-TXEJJXNPSA-N 0 1 261.390 3.511 20 0 CHADMN CCSc1cccc(CN[C@@H]2CCc3cccnc32)c1 ZINC000886614184 1125697899 /nfs/dbraw/zinc/69/78/99/1125697899.db2.gz PCDBAVZWSCSPPU-MRXNPFEDSA-N 0 1 284.428 3.971 20 0 CHADMN Cc1cc2cc(CN[C@@H]3CCc4cccnc43)ccc2[nH]1 ZINC000886608764 1125697019 /nfs/dbraw/zinc/69/70/19/1125697019.db2.gz FNIXSBMJNMALTH-QGZVFWFLSA-N 0 1 277.371 3.648 20 0 CHADMN CN1CCC[C@H](N[C@H]2CCc3cccnc32)c2ccccc21 ZINC000886622653 1125699307 /nfs/dbraw/zinc/69/93/07/1125699307.db2.gz ZNDDZPYZXUEACN-IRXDYDNUSA-N 0 1 293.414 3.630 20 0 CHADMN CN1CCC[C@@H](N[C@H]2CCc3cccnc32)c2ccccc21 ZINC000886622654 1125699511 /nfs/dbraw/zinc/69/95/11/1125699511.db2.gz ZNDDZPYZXUEACN-SJORKVTESA-N 0 1 293.414 3.630 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1CCC[C@@H](C)C1 ZINC000251925312 1125701244 /nfs/dbraw/zinc/70/12/44/1125701244.db2.gz CGLRXCOQXSOGAS-LLVKDONJSA-N 0 1 276.405 3.943 20 0 CHADMN C[C@H](N[C@@H]1CCc2cccnc21)c1cc2cnccc2o1 ZINC000886648032 1125702734 /nfs/dbraw/zinc/70/27/34/1125702734.db2.gz JXYYSWJHCLCOBB-SMDDNHRTSA-N 0 1 279.343 3.561 20 0 CHADMN CC(C)[C@@H](NCc1ncc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000067696808 1125703118 /nfs/dbraw/zinc/70/31/18/1125703118.db2.gz OGFWBDDBMHAESD-CQSZACIVSA-N 0 1 297.324 3.915 20 0 CHADMN C[C@H](NC[C@@H]1CCC2(CCC2)CO1)c1cccnc1Cl ZINC000886730446 1125713656 /nfs/dbraw/zinc/71/36/56/1125713656.db2.gz COCLGNZIWJKNOQ-STQMWFEESA-N 0 1 294.826 3.735 20 0 CHADMN CCCCC[C@@H](O)CN1CCc2cc(Cl)ccc2C1 ZINC001253534798 1125718761 /nfs/dbraw/zinc/71/87/61/1125718761.db2.gz DVFVAXZSYFTNEB-MRXNPFEDSA-N 0 1 281.827 3.639 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886829682 1125722194 /nfs/dbraw/zinc/72/21/94/1125722194.db2.gz FLWFFYLAJQZXAG-RDBSUJKOSA-N 0 1 292.423 3.534 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1c(C)noc1C ZINC000255507537 1125722431 /nfs/dbraw/zinc/72/24/31/1125722431.db2.gz YQECKMYAFGJFGP-RAXLEYEMSA-N 0 1 270.376 3.827 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nncn1C)c1cccc2ccccc21 ZINC000886919855 1125723958 /nfs/dbraw/zinc/72/39/58/1125723958.db2.gz YHPMGOFVTSYDHS-SUMWQHHRSA-N 0 1 294.402 3.770 20 0 CHADMN Cc1ccc(CCN(C)Cc2cnccc2Cl)cc1 ZINC001137237086 1125730595 /nfs/dbraw/zinc/73/05/95/1125730595.db2.gz XYLNJAXOIYYMIO-UHFFFAOYSA-N 0 1 274.795 3.718 20 0 CHADMN CCN(Cc1ccc(C(=O)OC)s1)Cc1ccccc1 ZINC000162040637 1125734601 /nfs/dbraw/zinc/73/46/01/1125734601.db2.gz SKDWEDCNGMZTBE-UHFFFAOYSA-N 0 1 289.400 3.557 20 0 CHADMN COC[C@H](N[C@@H](C)c1cnn(C(C)C)c1)c1ccccc1 ZINC000089668911 1125736422 /nfs/dbraw/zinc/73/64/22/1125736422.db2.gz LFQKVHZDYUBXFZ-YOEHRIQHSA-N 0 1 287.407 3.502 20 0 CHADMN Cc1ccccc1[C@H]1CN(Cc2cccc(N)c2)[C@H](C)CO1 ZINC000261674402 1125737559 /nfs/dbraw/zinc/73/75/59/1125737559.db2.gz KTHGBMKEBXLCLI-DNVCBOLYSA-N 0 1 296.414 3.539 20 0 CHADMN NC1(c2noc(-c3occc3-c3ccccc3)n2)CCCC1 ZINC000261705986 1125739916 /nfs/dbraw/zinc/73/99/16/1125739916.db2.gz ILSFVNRABFYDFD-UHFFFAOYSA-N 0 1 295.342 3.725 20 0 CHADMN C[C@H](N[C@@H]1CC(C)(C)c2ccccc21)c1cnccn1 ZINC000090576474 1125744629 /nfs/dbraw/zinc/74/46/29/1125744629.db2.gz WXIGJGDDNYYEIK-SWLSCSKDSA-N 0 1 267.376 3.550 20 0 CHADMN C[C@@H](NC[C@H](C)Oc1ccc(Cl)cc1)c1nccs1 ZINC000091730767 1125752120 /nfs/dbraw/zinc/75/21/20/1125752120.db2.gz QFOPWPYQKOMVPT-WDEREUQCSA-N 0 1 296.823 3.915 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc(N(C)C)n2)cc1C ZINC000090851852 1125746654 /nfs/dbraw/zinc/74/66/54/1125746654.db2.gz XTXJXKDTENAQIQ-OAHLLOKOSA-N 0 1 283.419 3.615 20 0 CHADMN COC[C@@H](N[C@H](c1cccc(C)c1)c1ccccn1)C(C)C ZINC000090946659 1125747217 /nfs/dbraw/zinc/74/72/17/1125747217.db2.gz XDLRSCYAIUMJOG-RTBURBONSA-N 0 1 298.430 3.740 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc(N(C)C)n2)c(C)c1 ZINC000090850727 1125747688 /nfs/dbraw/zinc/74/76/88/1125747688.db2.gz FEKISBINRJJHAI-OAHLLOKOSA-N 0 1 283.419 3.615 20 0 CHADMN C[C@H](NCCc1csc(C(C)(C)C)n1)c1nccs1 ZINC000090948747 1125747699 /nfs/dbraw/zinc/74/76/99/1125747699.db2.gz QYWSJMBGKABSHV-JTQLQIEISA-N 0 1 295.477 3.790 20 0 CHADMN CC(C)(N[C@@H]1CCCc2ccccc2C1)C(F)F ZINC000648563113 1125752195 /nfs/dbraw/zinc/75/21/95/1125752195.db2.gz RPUATMVKYVRPMW-CYBMUJFWSA-N 0 1 253.336 3.567 20 0 CHADMN Cc1ccc(CN(Cc2cnc(N)s2)C2CC2)cc1C ZINC000262020724 1125750271 /nfs/dbraw/zinc/75/02/71/1125750271.db2.gz NDVGDJPUCMVZBT-UHFFFAOYSA-N 0 1 287.432 3.507 20 0 CHADMN Cc1cccnc1CN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000093159747 1125766496 /nfs/dbraw/zinc/76/64/96/1125766496.db2.gz NLLICAZVVXJQOK-GOSISDBHSA-N 0 1 296.414 3.571 20 0 CHADMN COc1ccc(C)cc1C[N@H+]1CCc2ccccc2C1 ZINC000508727215 1125783325 /nfs/dbraw/zinc/78/33/25/1125783325.db2.gz OYNJDILFSODRNW-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN COc1ccc(C)cc1CN1CCc2ccccc2C1 ZINC000508727215 1125783331 /nfs/dbraw/zinc/78/33/31/1125783331.db2.gz OYNJDILFSODRNW-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN CCOC1CCN(Cc2ccc(F)cc2OC(C)C)CC1 ZINC001238694130 1131232025 /nfs/dbraw/zinc/23/20/25/1131232025.db2.gz AHTVAFZQPOSAJV-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN CCCN(C)Cc1cccc(OCC)c1Br ZINC001238694744 1131233183 /nfs/dbraw/zinc/23/31/83/1131233183.db2.gz YWAOTVLZMMRILZ-UHFFFAOYSA-N 0 1 286.213 3.690 20 0 CHADMN CCOc1cccc([C@H](C)NCc2cc(C)ns2)c1 ZINC000638459547 1129259213 /nfs/dbraw/zinc/25/92/13/1129259213.db2.gz YWMSEXWKJSNFCF-LBPRGKRZSA-N 0 1 276.405 3.701 20 0 CHADMN CCC[C@@H](C)N(C)Cc1coc(-c2ccccc2)n1 ZINC000642342924 1129414865 /nfs/dbraw/zinc/41/48/65/1129414865.db2.gz QHEDGAPYGXURCF-CYBMUJFWSA-N 0 1 258.365 3.962 20 0 CHADMN CC[C@@H](C(=O)OCc1ccc(Cl)s1)N(CC)CC ZINC000741032954 1129426733 /nfs/dbraw/zinc/42/67/33/1129426733.db2.gz LUSSBDTVLFTLEG-NSHDSACASA-N 0 1 289.828 3.565 20 0 CHADMN C#CCN(Cc1cnc(C2CCC2)s1)C1CCCC1 ZINC000093819841 1129428014 /nfs/dbraw/zinc/42/80/14/1129428014.db2.gz KHTFZVCDRGALMQ-UHFFFAOYSA-N 0 1 274.433 3.788 20 0 CHADMN CCCCCSc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000643094115 1129428098 /nfs/dbraw/zinc/42/80/98/1129428098.db2.gz ZKGVCUMTNWZZMH-UHFFFAOYSA-N 0 1 277.393 3.763 20 0 CHADMN O=C1SCCN1CN1CCCC2(C1)CCCCCC2 ZINC000743385515 1129522345 /nfs/dbraw/zinc/52/23/45/1129522345.db2.gz KGWSZDNMOYDFEA-UHFFFAOYSA-N 0 1 282.453 3.549 20 0 CHADMN COc1ccc(CN2CC(CC3CC3)C2)cc1OC(F)F ZINC000621741468 1129189312 /nfs/dbraw/zinc/18/93/12/1129189312.db2.gz UIDMXFTUCCPAAH-UHFFFAOYSA-N 0 1 297.345 3.529 20 0 CHADMN CC[C@@H](CC1CCCC1)c1nc([C@@H]2CCCN2)no1 ZINC000647149615 1129551607 /nfs/dbraw/zinc/55/16/07/1129551607.db2.gz OFURLVBXYPIHLO-STQMWFEESA-N 0 1 263.385 3.568 20 0 CHADMN CCOc1ccc(C)c(CN(C)Cc2cccnc2C)c1 ZINC001238710163 1131235512 /nfs/dbraw/zinc/23/55/12/1131235512.db2.gz ABRDXBMDXXYCKT-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CC[C@@]2(CC2(F)F)C1 ZINC000649903616 1129685893 /nfs/dbraw/zinc/68/58/93/1129685893.db2.gz REFSWTHVMXSESN-TVQRCGJNSA-N 0 1 273.273 3.757 20 0 CHADMN CC1(CNCc2occc2Br)CC(F)(F)C1 ZINC000720922929 1129719864 /nfs/dbraw/zinc/71/98/64/1129719864.db2.gz KQEYVVORFHOPOZ-UHFFFAOYSA-N 0 1 294.139 3.567 20 0 CHADMN CCCCCCc1ccc(CN2CC(C)(CO)C2)s1 ZINC001238705749 1131235994 /nfs/dbraw/zinc/23/59/94/1131235994.db2.gz MHTWIOBTNQITJZ-UHFFFAOYSA-N 0 1 281.465 3.685 20 0 CHADMN CC(C)C[C@H](N)c1noc(C2CCCCCCC2)n1 ZINC000721033499 1129743315 /nfs/dbraw/zinc/74/33/15/1129743315.db2.gz XRAHMXSAOIOEIU-ZDUSSCGKSA-N 0 1 265.401 3.943 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CCC[C@@H](C)C1 ZINC001139006754 1129760067 /nfs/dbraw/zinc/76/00/67/1129760067.db2.gz XUJUBGMPOVYPDM-GFCCVEGCSA-N 0 1 267.800 3.971 20 0 CHADMN CCCCc1nc(CN[C@H](CC)[C@@H]2CCCCO2)cs1 ZINC000653878966 1129799525 /nfs/dbraw/zinc/79/95/25/1129799525.db2.gz IOTVAJAELPDZGM-CABCVRRESA-N 0 1 296.480 3.923 20 0 CHADMN Cc1nc([C@@H](C)NC2CC(C)(C)N(O)C(C)(C)C2)cs1 ZINC001169975432 1129814324 /nfs/dbraw/zinc/81/43/24/1129814324.db2.gz UNSWPKHKCNXFOZ-SNVBAGLBSA-N 0 1 297.468 3.513 20 0 CHADMN FC1(F)CCC[C@H](NCc2occc2Br)C1 ZINC000381621000 1129842577 /nfs/dbraw/zinc/84/25/77/1129842577.db2.gz ZMGGPSUBFDLFMH-QMMMGPOBSA-N 0 1 294.139 3.710 20 0 CHADMN COCCN(Cc1cccs1)Cc1cc(C)oc1C ZINC000768198523 1129844442 /nfs/dbraw/zinc/84/44/42/1129844442.db2.gz VFGXDIFSDQJCGZ-UHFFFAOYSA-N 0 1 279.405 3.607 20 0 CHADMN Cc1nccc(N2CCC3(CCCC3)C2)c1Cl ZINC000798393619 1129988323 /nfs/dbraw/zinc/98/83/23/1129988323.db2.gz WRUCNVQMKATBNR-UHFFFAOYSA-N 0 1 250.773 3.814 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3ccc(Cl)nc32)s1 ZINC000787760471 1130160788 /nfs/dbraw/zinc/16/07/88/1130160788.db2.gz QGUFOBBIYMYZFV-GFCCVEGCSA-N 0 1 278.808 3.882 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC000903695589 1130190004 /nfs/dbraw/zinc/19/00/04/1130190004.db2.gz DDYUDLANZJCCOE-OAHLLOKOSA-N 0 1 267.413 3.534 20 0 CHADMN Cc1ccc(C[N@H+](CCC2(C(=O)[O-])CCC2)C(C)C)s1 ZINC000903697729 1130191528 /nfs/dbraw/zinc/19/15/28/1130191528.db2.gz YMIQFVFOJSXWKF-UHFFFAOYSA-N 0 1 295.448 3.912 20 0 CHADMN Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCCN32)c(Cl)c1 ZINC000899919756 1126712323 /nfs/dbraw/zinc/71/23/23/1126712323.db2.gz DTZXGGPKVMYWEZ-WFASDCNBSA-N 0 1 292.810 3.604 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)COC2)c1ccncc1F ZINC000338014279 1126710376 /nfs/dbraw/zinc/71/03/76/1126710376.db2.gz SNVMKMHAGZWWSV-NWDGAFQWSA-N 0 1 286.350 3.663 20 0 CHADMN c1ccc(-c2cnc(CN[C@H]3CC[C@H]3C3CCC3)nc2)cc1 ZINC000338012709 1126711100 /nfs/dbraw/zinc/71/11/00/1126711100.db2.gz MSNAITPHMUFWJE-ROUUACIJSA-N 0 1 293.414 3.812 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1cccc(F)c1 ZINC000481752732 1126712106 /nfs/dbraw/zinc/71/21/06/1126712106.db2.gz WKBLSFMAGVNUJI-GWCFXTLKSA-N 0 1 275.289 3.989 20 0 CHADMN CCOc1ccc(CN(C)[C@@H](C)c2ccccn2)c(C)c1 ZINC000667948525 1126715302 /nfs/dbraw/zinc/71/53/02/1126715302.db2.gz CEWMWOZTPBYEKA-HNNXBMFYSA-N 0 1 284.403 3.982 20 0 CHADMN CN(CCC1CC1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000135275758 1126715864 /nfs/dbraw/zinc/71/58/64/1126715864.db2.gz AHOJUPGRNZVEAC-UHFFFAOYSA-N 0 1 291.782 3.622 20 0 CHADMN CN(CCC1CC1)Cc1csc(-c2ccco2)n1 ZINC000135292021 1126716250 /nfs/dbraw/zinc/71/62/50/1126716250.db2.gz PSYILZYXWWWVEK-UHFFFAOYSA-N 0 1 262.378 3.635 20 0 CHADMN CN(CCC1CC1)Cc1coc(-c2ccccc2)n1 ZINC000135283675 1126716537 /nfs/dbraw/zinc/71/65/37/1126716537.db2.gz SIFOBVUTBZKCNX-UHFFFAOYSA-N 0 1 256.349 3.574 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1Cc1csc(NC(C)=O)n1 ZINC000135347407 1126716940 /nfs/dbraw/zinc/71/69/40/1126716940.db2.gz DMXRMJPTOZJYKE-SMDDNHRTSA-N 0 1 295.452 3.502 20 0 CHADMN c1cc(-c2noc([C@@H]3NCC[C@H]4CCCC[C@@H]43)n2)cs1 ZINC000899993689 1126720842 /nfs/dbraw/zinc/72/08/42/1126720842.db2.gz LPQIQVMNRQDARQ-KGYLQXTDSA-N 0 1 289.404 3.639 20 0 CHADMN CCS[C@@H]1CCC[C@H]1NCc1nc2cc(F)ccc2o1 ZINC000348468761 1126722210 /nfs/dbraw/zinc/72/22/10/1126722210.db2.gz KZMKDRSVTWJWNE-BXUZGUMPSA-N 0 1 294.395 3.731 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000338206590 1126723781 /nfs/dbraw/zinc/72/37/81/1126723781.db2.gz MFTMXYUHPQKMRM-UONOGXRCSA-N 0 1 285.391 3.920 20 0 CHADMN Cc1nc(C2(NC[C@H]3CCCC(F)(F)C3)CCCC2)no1 ZINC000338284044 1126730777 /nfs/dbraw/zinc/73/07/77/1126730777.db2.gz JYHYAJFADVJFOL-LBPRGKRZSA-N 0 1 299.365 3.562 20 0 CHADMN COCc1ccc([C@H]2CCCN2Cc2ccsc2)o1 ZINC000137080080 1126733831 /nfs/dbraw/zinc/73/38/31/1126733831.db2.gz DRMSWYGUMVOLEL-CQSZACIVSA-N 0 1 277.389 3.825 20 0 CHADMN Cc1noc(C)c1CCN(C)[C@@H](C)c1cc(F)ccc1F ZINC000164875479 1129210429 /nfs/dbraw/zinc/21/04/29/1129210429.db2.gz BEMZGRKFAQKSAN-NSHDSACASA-N 0 1 294.345 3.805 20 0 CHADMN Cc1nnc([C@@H]2CCCCN2CCCc2ccccc2C)[nH]1 ZINC000338332454 1126734976 /nfs/dbraw/zinc/73/49/76/1126734976.db2.gz ITORKYONMXREAE-KRWDZBQOSA-N 0 1 298.434 3.581 20 0 CHADMN CCCc1ccc(CN2CCCC[C@H]2c2n[nH]c(C)n2)cc1 ZINC000338331801 1126735163 /nfs/dbraw/zinc/73/51/63/1126735163.db2.gz YATPMJSTCGODQM-KRWDZBQOSA-N 0 1 298.434 3.793 20 0 CHADMN FC(F)c1cccc(CN[C@@H]2CCCc3c[nH]nc32)c1 ZINC001118794055 1131237706 /nfs/dbraw/zinc/23/77/06/1131237706.db2.gz SYQWIHGNHMSZAC-CYBMUJFWSA-N 0 1 277.318 3.515 20 0 CHADMN COc1cccc(Cl)c1CN1CCS[C@H](C)CC1 ZINC000338349088 1126737275 /nfs/dbraw/zinc/73/72/75/1126737275.db2.gz QGDKRYAHPZDQDL-LLVKDONJSA-N 0 1 285.840 3.676 20 0 CHADMN CC(C)CN(C(=O)CN(C)[C@@H](C)c1ccccc1)C(C)C ZINC000338389574 1126739515 /nfs/dbraw/zinc/73/95/15/1126739515.db2.gz IOEWNFBQBCFSIX-INIZCTEOSA-N 0 1 290.451 3.572 20 0 CHADMN Cc1cc2[nH]c(CN3CCS[C@H](C)C3)cc2c(C)c1 ZINC000482002030 1126737534 /nfs/dbraw/zinc/73/75/34/1126737534.db2.gz OINBAMUGTREARS-CYBMUJFWSA-N 0 1 274.433 3.722 20 0 CHADMN COc1c(Br)cccc1CN1C[C@H](C)[C@@H](C)C1 ZINC000482012428 1126738638 /nfs/dbraw/zinc/73/86/38/1126738638.db2.gz DEENUVSJIFPLGW-QWRGUYRKSA-N 0 1 298.224 3.546 20 0 CHADMN COc1ncc([C@H](C)NCc2ccsc2)cc1Cl ZINC000284385288 1126740276 /nfs/dbraw/zinc/74/02/76/1126740276.db2.gz OWWMIZHXEBXLMZ-VIFPVBQESA-N 0 1 282.796 3.656 20 0 CHADMN Cc1cnc([C@H](C)NCCO[C@H]2CCCC[C@@H]2C)s1 ZINC000348498357 1126742064 /nfs/dbraw/zinc/74/20/64/1126742064.db2.gz TUFJWGPETPSHKN-UBHSHLNASA-N 0 1 282.453 3.697 20 0 CHADMN COc1cc([C@H](C)NCc2cccnc2)ccc1SC ZINC000151096433 1126750929 /nfs/dbraw/zinc/75/09/29/1126750929.db2.gz UZHKJXFERLIQCN-LBPRGKRZSA-N 0 1 288.416 3.663 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142660550 1126754368 /nfs/dbraw/zinc/75/43/68/1126754368.db2.gz XHTTVNIXUXENNT-LLVKDONJSA-N 0 1 281.783 3.660 20 0 CHADMN CC[C@H](Cc1ccc(Cl)cc1)NCc1ncc(C)o1 ZINC000668028170 1126754741 /nfs/dbraw/zinc/75/47/41/1126754741.db2.gz ZSPRQLJMYQMDSA-CQSZACIVSA-N 0 1 278.783 3.747 20 0 CHADMN Cc1ccc(OC(F)F)c(CN[C@@H](C)c2cccnc2)c1 ZINC000151637242 1126756243 /nfs/dbraw/zinc/75/62/43/1126756243.db2.gz GGDWEQPWQHBHAG-LBPRGKRZSA-N 0 1 292.329 3.842 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1ncc(C)o1 ZINC000173993021 1126765392 /nfs/dbraw/zinc/76/53/92/1126765392.db2.gz YDKHLOHEFGSVQX-INIZCTEOSA-N 0 1 272.392 3.745 20 0 CHADMN COc1cc(Cl)ccc1CN[C@H](C)c1ccncc1 ZINC000174069236 1126765743 /nfs/dbraw/zinc/76/57/43/1126765743.db2.gz XWOCWOYJQMZQQV-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN C[C@H](N[C@H]1CC[C@H]1C)c1nc(C2CCCCC2)no1 ZINC000792178330 1130436292 /nfs/dbraw/zinc/43/62/92/1130436292.db2.gz DXYBBLAOSFNZFM-MDZLAQPJSA-N 0 1 263.385 3.566 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2cc(O)cc(F)c2)cc1 ZINC000924784009 1126771910 /nfs/dbraw/zinc/77/19/10/1126771910.db2.gz RAKMAXTZLQCODH-GFCCVEGCSA-N 0 1 289.350 3.781 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cc2cn3ccsc3n2)C1 ZINC000483252191 1126774553 /nfs/dbraw/zinc/77/45/53/1126774553.db2.gz VVWFGIUXMQBGEJ-LBPRGKRZSA-N 0 1 277.437 3.654 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H]2CCC[C@H]2C(C)C)no1 ZINC000483305759 1126779472 /nfs/dbraw/zinc/77/94/72/1126779472.db2.gz GQMKGCPXWATCBA-HOCLYGCPSA-N 0 1 299.418 3.959 20 0 CHADMN Cc1ccccc1-c1nc(CNC[C@H]2CCC[C@@H](C)C2)no1 ZINC000483305665 1126779896 /nfs/dbraw/zinc/77/98/96/1126779896.db2.gz CJTPSYJJCMVDMA-HIFRSBDPSA-N 0 1 299.418 3.961 20 0 CHADMN CC(C)(C)c1cnc(CN(CC2CC2)C2CCC2)o1 ZINC000483313827 1126780299 /nfs/dbraw/zinc/78/02/99/1126780299.db2.gz KHQMBHYGVZWUMK-UHFFFAOYSA-N 0 1 262.397 3.737 20 0 CHADMN CCN(C)c1ccc(CN2C[C@H](C)[C@H]2c2ccccc2)cn1 ZINC000483286889 1126778189 /nfs/dbraw/zinc/77/81/89/1126778189.db2.gz QCSPWXDCPKCRTG-KXBFYZLASA-N 0 1 295.430 3.731 20 0 CHADMN CC[C@@H](NCc1cc[nH]c1)c1ccc(F)cc1F ZINC000175712358 1126785434 /nfs/dbraw/zinc/78/54/34/1126785434.db2.gz FXBBLFNCSXADFA-CQSZACIVSA-N 0 1 250.292 3.534 20 0 CHADMN CCC[C@H](CN[C@H](C)c1nc(C)no1)c1ccccc1 ZINC000483339024 1126782231 /nfs/dbraw/zinc/78/22/31/1126782231.db2.gz LTAOGHGGXSRCGS-IUODEOHRSA-N 0 1 273.380 3.613 20 0 CHADMN C[N@@H+](Cc1cn(C2CCC2)nn1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000668241744 1126785612 /nfs/dbraw/zinc/78/56/12/1126785612.db2.gz NRIBHXQKTTYOMU-JKSUJKDBSA-N 0 1 290.455 3.650 20 0 CHADMN C[N@@H+](Cc1cn(C2CCC2)nn1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000668241742 1126785840 /nfs/dbraw/zinc/78/58/40/1126785840.db2.gz NRIBHXQKTTYOMU-HOTGVXAUSA-N 0 1 290.455 3.650 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN(C)CCC(C)(C)C ZINC000176231603 1126789076 /nfs/dbraw/zinc/78/90/76/1126789076.db2.gz YLJHALXWZMHJEM-UHFFFAOYSA-N 0 1 276.424 3.610 20 0 CHADMN COc1cccc([C@H]2CN(CCC3CCCC3)CCO2)c1 ZINC000483533616 1126792189 /nfs/dbraw/zinc/79/21/89/1126792189.db2.gz RYYYNPHHSIVKLN-GOSISDBHSA-N 0 1 289.419 3.649 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CCN1Cc1cscn1 ZINC000177543246 1126802072 /nfs/dbraw/zinc/80/20/72/1126802072.db2.gz WOQOTCRAZCCEQC-SWLSCSKDSA-N 0 1 258.390 3.521 20 0 CHADMN CC[C@H](NCc1cn2ccsc2n1)c1ccc(C)cc1 ZINC000177758888 1126805080 /nfs/dbraw/zinc/80/50/80/1126805080.db2.gz WUOFFYOXRZFXGU-HNNXBMFYSA-N 0 1 285.416 3.945 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@H]1CCCc3occc31)CCO2 ZINC000177941591 1126807234 /nfs/dbraw/zinc/80/72/34/1126807234.db2.gz VOGXCHICNFMSLO-GJZGRUSLSA-N 0 1 287.334 3.910 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1Cc1nnc(-c2ccccc2Cl)o1 ZINC000177906753 1126807257 /nfs/dbraw/zinc/80/72/57/1126807257.db2.gz WTDIBDSAPXCRGF-WDEREUQCSA-N 0 1 291.782 3.620 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3occc31)CCO2 ZINC000177941567 1126807289 /nfs/dbraw/zinc/80/72/89/1126807289.db2.gz VOGXCHICNFMSLO-CABCVRRESA-N 0 1 287.334 3.910 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccccc2-n2cccn2)o1 ZINC000178146011 1126809540 /nfs/dbraw/zinc/80/95/40/1126809540.db2.gz WBQVVKYCCHPDDP-CQSZACIVSA-N 0 1 295.386 3.879 20 0 CHADMN CCCC[C@@H](CCC)OC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000758135464 1126812487 /nfs/dbraw/zinc/81/24/87/1126812487.db2.gz NVGLHCVHWYTWKM-CHWSQXEVSA-N 0 1 278.396 3.732 20 0 CHADMN O=S(=O)(Nc1ccsc1)c1cccc2ccccc21 ZINC000084460966 1126813229 /nfs/dbraw/zinc/81/32/29/1126813229.db2.gz NBOKBNJNXURPGW-UHFFFAOYSA-N 0 1 289.381 3.702 20 0 CHADMN Oc1c(F)cccc1-c1nc([C@@H]2CCCCS2)no1 ZINC000904029792 1126822248 /nfs/dbraw/zinc/82/22/48/1126822248.db2.gz RIUSUZIDKGQYKW-JTQLQIEISA-N 0 1 280.324 3.540 20 0 CHADMN COc1cccc(CN[C@@H]2CCc3c2cccc3Cl)n1 ZINC000178754535 1126818979 /nfs/dbraw/zinc/81/89/79/1126818979.db2.gz OFBOMINGOJYABO-OAHLLOKOSA-N 0 1 288.778 3.521 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccc1N(C)C)c1ccccn1 ZINC000179397675 1126827094 /nfs/dbraw/zinc/82/70/94/1126827094.db2.gz JWVUJILIXXQFJT-UONOGXRCSA-N 0 1 269.392 3.559 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000904079413 1126826469 /nfs/dbraw/zinc/82/64/69/1126826469.db2.gz GNZQAUQYNWRGEC-ZDUSSCGKSA-N 0 1 293.798 3.620 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1cnn2ccccc12 ZINC000179409320 1126827253 /nfs/dbraw/zinc/82/72/53/1126827253.db2.gz IEHGIYWUEFNLAU-LBPRGKRZSA-N 0 1 271.389 3.589 20 0 CHADMN Cc1cccc(C)c1OC[C@H](C)N[C@@H](C)c1nccs1 ZINC000179406706 1126827469 /nfs/dbraw/zinc/82/74/69/1126827469.db2.gz OEDZPDWTIMQDAZ-KBPBESRZSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1c[nH]nc1CN1CCC(C2CCCCC2)CC1 ZINC000811456797 1130610637 /nfs/dbraw/zinc/61/06/37/1130610637.db2.gz ULCBLVQCYQFAGC-UHFFFAOYSA-N 0 1 261.413 3.510 20 0 CHADMN C[C@H]1c2cccn2CCN1Cc1cccc2[nH]ccc21 ZINC000179569282 1126829906 /nfs/dbraw/zinc/82/99/06/1126829906.db2.gz BFGUFVDEYWKAMO-ZDUSSCGKSA-N 0 1 265.360 3.546 20 0 CHADMN CC(C)(NCc1cnc(Cl)s1)c1cccc(F)c1 ZINC000179582214 1126830585 /nfs/dbraw/zinc/83/05/85/1126830585.db2.gz BHSHWPNEBMWDLN-UHFFFAOYSA-N 0 1 284.787 3.961 20 0 CHADMN CC(=O)[C@H](C)CCCCC(=O)Nc1cccc(Cl)c1O ZINC000179725465 1126833003 /nfs/dbraw/zinc/83/30/03/1126833003.db2.gz KXERQKPRVUYCNJ-SNVBAGLBSA-N 0 1 297.782 3.770 20 0 CHADMN Cc1nn(C)cc1CN(C)Cc1csc2ccccc12 ZINC000179989393 1126837646 /nfs/dbraw/zinc/83/76/46/1126837646.db2.gz NECZJDMWUDQHMS-UHFFFAOYSA-N 0 1 285.416 3.575 20 0 CHADMN C[C@@H](N[C@H]1CCCOc2cc(F)ccc21)c1cccnc1 ZINC000179963833 1126837834 /nfs/dbraw/zinc/83/78/34/1126837834.db2.gz QJFMNGPVVKKWOJ-WBMJQRKESA-N 0 1 286.350 3.785 20 0 CHADMN Brc1ccc(CN2CCCC2)c2ncccc12 ZINC000180038606 1126838739 /nfs/dbraw/zinc/83/87/39/1126838739.db2.gz GPNPKEQAAUYHNF-UHFFFAOYSA-N 0 1 291.192 3.593 20 0 CHADMN CC(C)n1cc(CN2CCCC[C@@H]2c2cccn2C)cn1 ZINC000180205684 1126840580 /nfs/dbraw/zinc/84/05/80/1126840580.db2.gz OAJJHDMSOHCJHY-QGZVFWFLSA-N 0 1 286.423 3.530 20 0 CHADMN CC(C)OCCN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180549025 1126846548 /nfs/dbraw/zinc/84/65/48/1126846548.db2.gz NWONSIFZTCCCKR-CYBMUJFWSA-N 0 1 293.304 3.834 20 0 CHADMN COC[C@@H](N[C@@H](C)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000180841930 1126849704 /nfs/dbraw/zinc/84/97/04/1126849704.db2.gz FXWYWUQAJZDERP-KBXCAEBGSA-N 0 1 297.398 3.660 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000904399800 1126851883 /nfs/dbraw/zinc/85/18/83/1126851883.db2.gz BUODLDQDSUNFMZ-RHSMWYFYSA-N 0 1 281.440 3.780 20 0 CHADMN CC[C@H]1CN([C@@H](C)c2nc3ccccc3o2)CCS1 ZINC000181126428 1126852107 /nfs/dbraw/zinc/85/21/07/1126852107.db2.gz NIDYFEKGWBENAQ-RYUDHWBXSA-N 0 1 276.405 3.716 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@H](C)Sc2ccc(F)cc2)n1 ZINC000904500123 1126854133 /nfs/dbraw/zinc/85/41/33/1126854133.db2.gz NWCYTRHRYRFLOJ-JOYOIKCWSA-N 0 1 295.383 3.718 20 0 CHADMN CC1=C(C)C[C@](C)(c2nc([C@@H](N)C(C)C)no2)CC1 ZINC000904500464 1126854512 /nfs/dbraw/zinc/85/45/12/1126854512.db2.gz MKQCGYCZXIHNGR-SWLSCSKDSA-N 0 1 263.385 3.503 20 0 CHADMN C[N@@H+](CCCCC(=O)[O-])Cc1cc(Cl)cc(Cl)c1 ZINC000181547221 1126857626 /nfs/dbraw/zinc/85/76/26/1126857626.db2.gz XVYGUEACWRRCIW-UHFFFAOYSA-N 0 1 290.190 3.680 20 0 CHADMN C[C@@H](NCc1nc(-c2ccco2)no1)[C@H](C)c1ccccc1 ZINC000181537025 1126857839 /nfs/dbraw/zinc/85/78/39/1126857839.db2.gz HSFDAAZZDFWGMO-QWHCGFSZSA-N 0 1 297.358 3.611 20 0 CHADMN Cc1ccc(F)cc1CN(C)[C@H](C)c1ccccn1 ZINC000182062839 1126865126 /nfs/dbraw/zinc/86/51/26/1126865126.db2.gz JBCKWEMTQFPBCR-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN CCN(Cc1csc(Nc2ccccc2)n1)CC1CC1 ZINC000484984263 1126867651 /nfs/dbraw/zinc/86/76/51/1126867651.db2.gz BWKVFWPWJGUWAZ-UHFFFAOYSA-N 0 1 287.432 3.541 20 0 CHADMN c1nc2cccc(-c3cccc(CO[C@@H]4CCOC4)c3)c2[nH]1 ZINC000904796081 1126875819 /nfs/dbraw/zinc/87/58/19/1126875819.db2.gz HFDQEYVFXOPBCR-OAHLLOKOSA-N 0 1 294.354 3.535 20 0 CHADMN CC[C@@H](NCc1ccc(CO)cc1)c1cc(F)ccc1F ZINC000183108525 1126881846 /nfs/dbraw/zinc/88/18/46/1126881846.db2.gz LHGOXVUVJINYMD-QGZVFWFLSA-N 0 1 291.341 3.698 20 0 CHADMN Cn1ccnc1[C@H](N[C@@H]1CCCc2ccccc21)C1CC1 ZINC000183232371 1126883831 /nfs/dbraw/zinc/88/38/31/1126883831.db2.gz RSHRVIMCFPYPOG-IAGOWNOFSA-N 0 1 281.403 3.538 20 0 CHADMN Cc1cccc(NC(=O)C(C)(C)N2CCCCC2)c1C ZINC000905026641 1126888161 /nfs/dbraw/zinc/88/81/61/1126888161.db2.gz ZXKKSVJMINJKBU-UHFFFAOYSA-N 0 1 274.408 3.506 20 0 CHADMN CSCCCN[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183617043 1126889340 /nfs/dbraw/zinc/88/93/40/1126889340.db2.gz WGNGSTOZWBMONO-MRXNPFEDSA-N 0 1 290.407 3.653 20 0 CHADMN CSCCCN[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183617019 1126889399 /nfs/dbraw/zinc/88/93/99/1126889399.db2.gz WGNGSTOZWBMONO-INIZCTEOSA-N 0 1 290.407 3.653 20 0 CHADMN CCOc1cccc(CN(C)[C@@H](C)c2cccnc2)c1 ZINC000183726503 1126890862 /nfs/dbraw/zinc/89/08/62/1126890862.db2.gz UIZPJKLLYQCEGQ-AWEZNQCLSA-N 0 1 270.376 3.673 20 0 CHADMN CC(C)CSCCC[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905369741 1126898528 /nfs/dbraw/zinc/89/85/28/1126898528.db2.gz NQBYLWCPWYSZDM-OAHLLOKOSA-N 0 1 295.448 3.523 20 0 CHADMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)CCCC(C)(C)C)c1 ZINC000905370030 1126899902 /nfs/dbraw/zinc/89/99/02/1126899902.db2.gz GNWKAFFYGYQNAC-OAHLLOKOSA-N 0 1 293.407 3.579 20 0 CHADMN CC(C)Oc1c(CN2C[C@@H]3CCC[C@H]3C2)ccc(F)c1F ZINC001238738341 1131238230 /nfs/dbraw/zinc/23/82/30/1131238230.db2.gz CWQRBZICFLWZNZ-STQMWFEESA-N 0 1 295.373 3.984 20 0 CHADMN CCCCN(C(=O)c1cc2[nH]cnc2cc1F)[C@@H](C)CC ZINC000668465853 1126906889 /nfs/dbraw/zinc/90/68/89/1126906889.db2.gz FYWDYKKEDFGDMW-NSHDSACASA-N 0 1 291.370 3.743 20 0 CHADMN CCN(Cc1ccc(F)c(F)c1OC(C)C)C1CC1 ZINC001238738342 1131238584 /nfs/dbraw/zinc/23/85/84/1131238584.db2.gz CWYPYSRAAMCISO-UHFFFAOYSA-N 0 1 269.335 3.736 20 0 CHADMN c1c(CN2CCCC3(CCCC3)CC2)nnn1C1CCC1 ZINC000668477478 1126911192 /nfs/dbraw/zinc/91/11/92/1126911192.db2.gz AOCMVSFKOLYELM-UHFFFAOYSA-N 0 1 288.439 3.549 20 0 CHADMN CCc1ccc(C)nc1N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000668478580 1126911664 /nfs/dbraw/zinc/91/16/64/1126911664.db2.gz ORSHICZNGDUTDF-HUUCEWRRSA-N 0 1 262.397 3.568 20 0 CHADMN C[C@H](NCc1ccc(Cl)cc1F)c1cccc(CO)c1 ZINC000187578738 1126912322 /nfs/dbraw/zinc/91/23/22/1126912322.db2.gz DLEWKSJFRIUODL-NSHDSACASA-N 0 1 293.769 3.822 20 0 CHADMN CCSc1cc(CN[C@H](C)c2cncc(C)c2)ccn1 ZINC000187795697 1126914380 /nfs/dbraw/zinc/91/43/80/1126914380.db2.gz CXINUKFVPWLBHL-CYBMUJFWSA-N 0 1 287.432 3.748 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H]1CCc2c1cccc2Cl ZINC000187885713 1126916787 /nfs/dbraw/zinc/91/67/87/1126916787.db2.gz WSKWBZYVRQXZCR-XHDPSFHLSA-N 0 1 287.794 3.777 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1ccc(C(C)(C)C)cc1 ZINC000187894188 1126916862 /nfs/dbraw/zinc/91/68/62/1126916862.db2.gz ZPTQJWIRKBJIBF-CQSZACIVSA-N 0 1 283.419 3.933 20 0 CHADMN CN(Cc1cn(CC/C=C/c2ccccc2)nn1)C(C)(C)C ZINC000905810305 1126916851 /nfs/dbraw/zinc/91/68/51/1126916851.db2.gz YXDAWVJUIIDKDI-XYOKQWHBSA-N 0 1 298.434 3.612 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H]1CCc2c1cccc2Cl ZINC000187885682 1126916968 /nfs/dbraw/zinc/91/69/68/1126916968.db2.gz WSKWBZYVRQXZCR-IAQYHMDHSA-N 0 1 287.794 3.777 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@H](C)c2nccnc2C)c1 ZINC000187985047 1126917685 /nfs/dbraw/zinc/91/76/85/1126917685.db2.gz YFDLTFVVGVJHLK-DZGCQCFKSA-N 0 1 269.392 3.814 20 0 CHADMN CCCC1(CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000188233574 1126921026 /nfs/dbraw/zinc/92/10/26/1126921026.db2.gz VODFKOJQWWEPQG-OAHLLOKOSA-N 0 1 287.382 3.808 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1nccnc1C)CCC2 ZINC000188288999 1126921946 /nfs/dbraw/zinc/92/19/46/1126921946.db2.gz FZAIUTIJCATKCQ-WMLDXEAASA-N 0 1 281.403 3.822 20 0 CHADMN Cc1ccnc(N[C@@H]2CCOC3(CCC3)C2)c1C1CC1 ZINC000668513002 1126924074 /nfs/dbraw/zinc/92/40/74/1126924074.db2.gz VPGFUTUKLYYZGA-CQSZACIVSA-N 0 1 272.392 3.781 20 0 CHADMN Cc1ccnc(N[C@@H]2CCO[C@@H](C(C)C)C2)c1C1CC1 ZINC000668512552 1126924119 /nfs/dbraw/zinc/92/41/19/1126924119.db2.gz NXUVJAHNEZKGSR-HUUCEWRRSA-N 0 1 274.408 3.883 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN[C@@H](C)c1cnccn1 ZINC000188669025 1126924761 /nfs/dbraw/zinc/92/47/61/1126924761.db2.gz UUMZXQKLWHWQOC-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN Fc1cccc2c1OCC[C@@H]2N[C@@H]1CCc2ccccc21 ZINC000188041948 1126919654 /nfs/dbraw/zinc/91/96/54/1126919654.db2.gz AAKIYVKXOCBLFU-SJORKVTESA-N 0 1 283.346 3.926 20 0 CHADMN C[C@H](N[C@@H]1CS[C@H](C(C)(C)C)C1)c1cscn1 ZINC000668504068 1126920182 /nfs/dbraw/zinc/92/01/82/1126920182.db2.gz QOTCJPZMMCKVCS-NHCYSSNCSA-N 0 1 270.467 3.714 20 0 CHADMN CC(C)Oc1c(CN2C[C@H]3CCC[C@@H]3C2)ccc(F)c1F ZINC001238738340 1131238938 /nfs/dbraw/zinc/23/89/38/1131238938.db2.gz CWQRBZICFLWZNZ-CHWSQXEVSA-N 0 1 295.373 3.984 20 0 CHADMN CSCc1cccc(CN[C@H](C)c2ccccn2)c1 ZINC000188715578 1126925374 /nfs/dbraw/zinc/92/53/74/1126925374.db2.gz QPDPNRIIBFHTTR-CYBMUJFWSA-N 0 1 272.417 3.795 20 0 CHADMN CCc1cccc(CSc2nc(C3CC3)n[nH]2)c1 ZINC000188908120 1126927194 /nfs/dbraw/zinc/92/71/94/1126927194.db2.gz LULIGLQVIWXXFM-UHFFFAOYSA-N 0 1 259.378 3.537 20 0 CHADMN CCc1cccc(CSc2n[nH]c(C3CC3)n2)c1 ZINC000188908120 1126927197 /nfs/dbraw/zinc/92/71/97/1126927197.db2.gz LULIGLQVIWXXFM-UHFFFAOYSA-N 0 1 259.378 3.537 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCC([C@H]2CCCO2)CC1 ZINC000189123300 1126927658 /nfs/dbraw/zinc/92/76/58/1126927658.db2.gz ZJRHVZJXVWHZBJ-SJKOYZFVSA-N 0 1 295.373 3.917 20 0 CHADMN COc1ccc(F)cc1CNCc1ccc(F)cc1C ZINC000189212726 1126928880 /nfs/dbraw/zinc/92/88/80/1126928880.db2.gz DHWRLSRBUJSLAX-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN CCSc1cc(CNCc2cc(F)ccc2C)ccn1 ZINC000189581058 1126932910 /nfs/dbraw/zinc/93/29/10/1126932910.db2.gz MBNQVUHKACODSV-UHFFFAOYSA-N 0 1 290.407 3.931 20 0 CHADMN CCSc1cc(CNCc2cc(F)cc(F)c2)ccn1 ZINC000189580902 1126933319 /nfs/dbraw/zinc/93/33/19/1126933319.db2.gz ARFUAMHJGBKSSB-UHFFFAOYSA-N 0 1 294.370 3.762 20 0 CHADMN Cc1ccc(-c2cnc([C@@H]3CCCCN3)nc2)cc1C ZINC000906173051 1126933743 /nfs/dbraw/zinc/93/37/43/1126933743.db2.gz XFBMTZDNXAGIBF-INIZCTEOSA-N 0 1 267.376 3.575 20 0 CHADMN CCCC[N@@H+](CC)Cc1c(Cl)cccc1C(=O)[O-] ZINC000569107957 1126939043 /nfs/dbraw/zinc/93/90/43/1126939043.db2.gz BCMJVPOTOJQNLW-UHFFFAOYSA-N 0 1 269.772 3.660 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1[C@H](C)CC[C@H]1C ZINC000191158305 1126948626 /nfs/dbraw/zinc/94/86/26/1126948626.db2.gz LYHPBGQHFHRGQX-MXWKQRLJSA-N 0 1 277.393 3.732 20 0 CHADMN COc1cc(C)ccc1CN[C@H]1CCCc2occc21 ZINC000190943590 1126945902 /nfs/dbraw/zinc/94/59/02/1126945902.db2.gz WBACVSNLIXOABA-HNNXBMFYSA-N 0 1 271.360 3.764 20 0 CHADMN Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(Cl)c1F ZINC000190999498 1126946244 /nfs/dbraw/zinc/94/62/44/1126946244.db2.gz BNCKSKHUCGIDAI-UHFFFAOYSA-N 0 1 295.789 3.506 20 0 CHADMN CCOC[C@H]1CCCN(Cc2cc(F)cc(Cl)c2)C1 ZINC000485727730 1126946811 /nfs/dbraw/zinc/94/68/11/1126946811.db2.gz LCTGNMIAFXDIRA-LBPRGKRZSA-N 0 1 285.790 3.728 20 0 CHADMN Fc1cccc([C@H]2C[C@@H]2N2CCC(c3ncco3)CC2)c1 ZINC000906591781 1126959409 /nfs/dbraw/zinc/95/94/09/1126959409.db2.gz XVNQVRJIEJBAEX-CVEARBPZSA-N 0 1 286.350 3.549 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1Cl)NCc1cocn1 ZINC000192303296 1126960135 /nfs/dbraw/zinc/96/01/35/1126960135.db2.gz GYXHYPWGKCEMGL-VIFPVBQESA-N 0 1 285.174 3.702 20 0 CHADMN CCc1cccc(Cl)c1CN(C)CC1=CCCOC1 ZINC000668568447 1126962303 /nfs/dbraw/zinc/96/23/03/1126962303.db2.gz HQGBXFQENOWKSW-UHFFFAOYSA-N 0 1 279.811 3.681 20 0 CHADMN CCCNc1ccc(CN[C@@H](C)c2ccco2)cc1 ZINC000193360168 1126968374 /nfs/dbraw/zinc/96/83/74/1126968374.db2.gz SQTXFPOKUXDZEF-ZDUSSCGKSA-N 0 1 258.365 3.952 20 0 CHADMN Cc1nc(C2(NCC[C@@H](C)c3ccccc3)CCCC2)no1 ZINC000194357276 1126974083 /nfs/dbraw/zinc/97/40/83/1126974083.db2.gz LVWNMZBAQXHSPB-CQSZACIVSA-N 0 1 299.418 3.931 20 0 CHADMN C[C@@H](c1ccncc1)N(C)Cc1cc(Cl)cs1 ZINC000194480992 1126975165 /nfs/dbraw/zinc/97/51/65/1126975165.db2.gz KXLYSMRPNNQLEE-JTQLQIEISA-N 0 1 266.797 3.990 20 0 CHADMN CCSc1cc(CN[C@H](C)c2cccc(O)c2)ccn1 ZINC000194965075 1126977769 /nfs/dbraw/zinc/97/77/69/1126977769.db2.gz HKPSFKHVXRUVCG-GFCCVEGCSA-N 0 1 288.416 3.750 20 0 CHADMN CC(C)[C@@H]1CCC[C@H](N[C@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000195024406 1126977887 /nfs/dbraw/zinc/97/78/87/1126977887.db2.gz NVUBKPFVJNKJDG-PVAVHDDUSA-N 0 1 298.434 3.699 20 0 CHADMN COc1ccc(C(C)C)cc1CN1C[C@@H]2C[C@H]1CS2 ZINC000653761423 1126993274 /nfs/dbraw/zinc/99/32/74/1126993274.db2.gz OBCYHKQUNZYNQT-GJZGRUSLSA-N 0 1 277.433 3.508 20 0 CHADMN COc1cc([C@H](C)NCc2ccc(C)o2)ccc1F ZINC000154498531 1126993709 /nfs/dbraw/zinc/99/37/09/1126993709.db2.gz YDPCWHSPPKRXGC-NSHDSACASA-N 0 1 263.312 3.587 20 0 CHADMN C[C@@H](c1cccnc1)N1CCSC2(CCCCC2)C1 ZINC000267433452 1126999458 /nfs/dbraw/zinc/99/94/58/1126999458.db2.gz DYMGCHGZAUOLKJ-AWEZNQCLSA-N 0 1 276.449 3.894 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000267464550 1127000354 /nfs/dbraw/zinc/00/03/54/1127000354.db2.gz WAAMNAGYWBGQJK-RYUDHWBXSA-N 0 1 291.345 3.629 20 0 CHADMN CCC1(CC)CCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000268007708 1127009537 /nfs/dbraw/zinc/00/95/37/1127009537.db2.gz OWESZCMGQNXBST-UHFFFAOYSA-N 0 1 298.386 3.593 20 0 CHADMN C[C@@H](NC/C=C/c1ccncc1)c1c(F)cccc1F ZINC000486943892 1127010900 /nfs/dbraw/zinc/01/09/00/1127010900.db2.gz YGGUHTBQOOEMSA-AAOUONPWSA-N 0 1 274.314 3.724 20 0 CHADMN C[C@H](CCC(C)(C)C)NC(=O)c1sccc1CN(C)C ZINC000268107963 1127012554 /nfs/dbraw/zinc/01/25/54/1127012554.db2.gz LRXPCVINSCAMJZ-GFCCVEGCSA-N 0 1 296.480 3.754 20 0 CHADMN CCc1ccc(CNCc2coc3ccccc23)o1 ZINC000268400673 1127016541 /nfs/dbraw/zinc/01/65/41/1127016541.db2.gz CKBIYGVBDYIYEL-UHFFFAOYSA-N 0 1 255.317 3.878 20 0 CHADMN COCc1ccc(CN[C@@H](c2ccccc2C)C2CC2)o1 ZINC000268781953 1127023835 /nfs/dbraw/zinc/02/38/35/1127023835.db2.gz IURYAVUFEFQWDG-GOSISDBHSA-N 0 1 285.387 3.975 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000268709242 1127020726 /nfs/dbraw/zinc/02/07/26/1127020726.db2.gz FZFYMLDGMQQIOX-UONOGXRCSA-N 0 1 287.407 3.884 20 0 CHADMN C[C@H](NCc1ccccc1F)c1ccc2c(c1)COC2 ZINC000268705174 1127021248 /nfs/dbraw/zinc/02/12/48/1127021248.db2.gz HRYYLAZTXRKKCP-LBPRGKRZSA-N 0 1 271.335 3.707 20 0 CHADMN CC[C@H](C)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000268725199 1127021712 /nfs/dbraw/zinc/02/17/12/1127021712.db2.gz AIXLVLXFULTGQX-FZMZJTMJSA-N 0 1 277.799 3.551 20 0 CHADMN Cn1ccc(CNC2(c3cccc(Cl)c3)CCCC2)n1 ZINC000268778157 1127023253 /nfs/dbraw/zinc/02/32/53/1127023253.db2.gz HVFXKAWZHJZIPG-UHFFFAOYSA-N 0 1 289.810 3.633 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cn3ccsc3n2)c(C)c1 ZINC000268781912 1127023289 /nfs/dbraw/zinc/02/32/89/1127023289.db2.gz AWLVIDUSOGZHEH-CYBMUJFWSA-N 0 1 285.416 3.863 20 0 CHADMN Cc1ccc([C@@H](N[C@@H](C)c2cnccn2)C2CC2)cc1 ZINC000268788521 1127023352 /nfs/dbraw/zinc/02/33/52/1127023352.db2.gz WSWGGOYFNILSLW-SUMWQHHRSA-N 0 1 267.376 3.587 20 0 CHADMN COCc1ccc(CN[C@H](C)c2ccc(F)c(C)c2)o1 ZINC000268820808 1127025840 /nfs/dbraw/zinc/02/58/40/1127025840.db2.gz XLGSQAIMNLFUPL-GFCCVEGCSA-N 0 1 277.339 3.724 20 0 CHADMN CCCC[C@@H](CC)CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268908823 1127028308 /nfs/dbraw/zinc/02/83/08/1127028308.db2.gz ARXSTQHBUDCPQQ-OCCSQVGLSA-N 0 1 277.412 3.510 20 0 CHADMN CCCCCC(C)(C)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268917089 1127028451 /nfs/dbraw/zinc/02/84/51/1127028451.db2.gz BWTCCHHZNFKZOM-ZDUSSCGKSA-N 0 1 277.412 3.510 20 0 CHADMN C[C@H](NCCc1cscn1)c1ncc(-c2ccccc2)o1 ZINC000268950464 1127029588 /nfs/dbraw/zinc/02/95/88/1127029588.db2.gz HXKTVOFWPZAAPK-LBPRGKRZSA-N 0 1 299.399 3.691 20 0 CHADMN CN(Cc1cnc(-c2ccco2)s1)CC1=CCSC1 ZINC000668774930 1127030013 /nfs/dbraw/zinc/03/00/13/1127030013.db2.gz LXOSUCGNEHAKJQ-UHFFFAOYSA-N 0 1 292.429 3.508 20 0 CHADMN Cc1ccsc1[C@H](CO)NCc1cc(Cl)cs1 ZINC000487328978 1127034291 /nfs/dbraw/zinc/03/42/91/1127034291.db2.gz AUUOPELGLCLTPB-NSHDSACASA-N 0 1 287.837 3.595 20 0 CHADMN CN(Cc1cnc(C2CCCC2)s1)CC1=CCSC1 ZINC000668774504 1127030869 /nfs/dbraw/zinc/03/08/69/1127030869.db2.gz ACJAYTLWWTYMIM-UHFFFAOYSA-N 0 1 294.489 3.906 20 0 CHADMN CC[C@H](N[C@@H](C)[C@H](C)OC)c1nc(C(F)(F)F)cs1 ZINC000269002354 1127031718 /nfs/dbraw/zinc/03/17/18/1127031718.db2.gz VBPPKORNXIDLQR-CIUDSAMLSA-N 0 1 296.358 3.626 20 0 CHADMN Cn1cccc1CN[C@@H]1CCCOc2c(Cl)cccc21 ZINC000269011512 1127032683 /nfs/dbraw/zinc/03/26/83/1127032683.db2.gz XJSMGKMDHABYOZ-OAHLLOKOSA-N 0 1 290.794 3.682 20 0 CHADMN COCc1ccc(CN[C@@H]2CC(C)(C)c3ccccc32)o1 ZINC000269276995 1127037035 /nfs/dbraw/zinc/03/70/35/1127037035.db2.gz IWXYIXWOLYSZAA-QGZVFWFLSA-N 0 1 285.387 3.938 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H](C)N(C)c2ccccc2)cs1 ZINC000269396693 1127038350 /nfs/dbraw/zinc/03/83/50/1127038350.db2.gz FDHJXRAGUYXNCU-CHWSQXEVSA-N 0 1 289.448 3.627 20 0 CHADMN Cc1nc(C(C)C)ccc1CN1CC[C@@H](C(F)(F)F)C1 ZINC000815079036 1130956139 /nfs/dbraw/zinc/95/61/39/1130956139.db2.gz LHOIERIMAOBGAY-CYBMUJFWSA-N 0 1 286.341 3.898 20 0 CHADMN Cc1nc([C@@H](C)NCCc2csc(C(C)C)n2)cs1 ZINC000269408651 1127038818 /nfs/dbraw/zinc/03/88/18/1127038818.db2.gz IJIRQMQVZRYPCB-SNVBAGLBSA-N 0 1 295.477 3.925 20 0 CHADMN CC[C@H](Cc1ccccc1)N(C)Cc1nccs1 ZINC000269688961 1127044931 /nfs/dbraw/zinc/04/49/31/1127044931.db2.gz HOSYLQFYWLFVER-CQSZACIVSA-N 0 1 260.406 3.596 20 0 CHADMN Cc1ccncc1CN1CCc2sccc2[C@H]1C ZINC000269506968 1127040617 /nfs/dbraw/zinc/04/06/17/1127040617.db2.gz GHWJSACTSBJTAA-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN Cc1ccncc1CN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000269589976 1127042413 /nfs/dbraw/zinc/04/24/13/1127042413.db2.gz HWJBXYCVBRJCGD-PBHICJAKSA-N 0 1 252.361 3.583 20 0 CHADMN COc1ccc(CN[C@H]2CCc3c2c(F)ccc3F)cc1 ZINC000269805882 1127046235 /nfs/dbraw/zinc/04/62/35/1127046235.db2.gz FOVLTZGLCAHDBN-INIZCTEOSA-N 0 1 289.325 3.751 20 0 CHADMN Cc1nc(C)c(CN[C@H]2CCc3c2c(F)ccc3F)s1 ZINC000269894734 1127047439 /nfs/dbraw/zinc/04/74/39/1127047439.db2.gz DXYLEONXXSLSEM-ZDUSSCGKSA-N 0 1 294.370 3.815 20 0 CHADMN C[C@H]1c2cccn2CCN1CCCCC(F)(F)F ZINC000269928668 1127048206 /nfs/dbraw/zinc/04/82/06/1127048206.db2.gz ZTOGATLKMSSFDG-NSHDSACASA-N 0 1 260.303 3.597 20 0 CHADMN COCCN(Cc1nc(C2CC2)cs1)[C@H]1CCC[C@@H]1C ZINC000487964611 1127051151 /nfs/dbraw/zinc/05/11/51/1127051151.db2.gz PSPSIFGYASJEGB-WFASDCNBSA-N 0 1 294.464 3.658 20 0 CHADMN CCCCN(CC(=O)Nc1c(C)cccc1Cl)C1CC1 ZINC000270200997 1127051662 /nfs/dbraw/zinc/05/16/62/1127051662.db2.gz CEQOBKRSWHHNLN-UHFFFAOYSA-N 0 1 294.826 3.851 20 0 CHADMN C[C@H](NCc1ccccc1Cl)c1cccc(CO)c1 ZINC000270538786 1127057488 /nfs/dbraw/zinc/05/74/88/1127057488.db2.gz WYDKQUFCGWKIIM-LBPRGKRZSA-N 0 1 275.779 3.683 20 0 CHADMN Cc1ccc2nc(CN(C)[C@H]3CCc4ccccc43)cn2c1 ZINC000042635175 1127060627 /nfs/dbraw/zinc/06/06/27/1127060627.db2.gz UXAHOIUOARRAPV-SFHVURJKSA-N 0 1 291.398 3.762 20 0 CHADMN C[C@H]1CSCCN(Cc2ccc(Cl)cc2F)C1 ZINC000488174360 1127060646 /nfs/dbraw/zinc/06/06/46/1127060646.db2.gz HAPQCXGQKYZOFQ-SNVBAGLBSA-N 0 1 273.804 3.664 20 0 CHADMN CCN(Cc1cc(C2CC2)no1)Cc1ccc(C)cc1 ZINC000659856927 1127060703 /nfs/dbraw/zinc/06/07/03/1127060703.db2.gz HWQJAYRIDGVJSD-UHFFFAOYSA-N 0 1 270.376 3.883 20 0 CHADMN CC[N@@H+](Cc1ccc(OC)c(F)c1)[C@@H](C)c1cccnc1 ZINC000270685911 1127061064 /nfs/dbraw/zinc/06/10/64/1127061064.db2.gz WGHFGMLFSGPPOB-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN CCN(Cc1ccc(OC)c(F)c1)[C@@H](C)c1cccnc1 ZINC000270685911 1127061069 /nfs/dbraw/zinc/06/10/69/1127061069.db2.gz WGHFGMLFSGPPOB-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN C[C@H]1CSCCN(Cc2cccc(Cl)c2F)C1 ZINC000488181604 1127061706 /nfs/dbraw/zinc/06/17/06/1127061706.db2.gz UZFDJFPMVYZUSQ-SNVBAGLBSA-N 0 1 273.804 3.664 20 0 CHADMN COc1ccc(CN2CCSC[C@H](C)C2)c(Cl)c1 ZINC000488244602 1127065785 /nfs/dbraw/zinc/06/57/85/1127065785.db2.gz ACTVXNKFDXBERD-LLVKDONJSA-N 0 1 285.840 3.534 20 0 CHADMN CC[C@H]1COCCN1Cc1cccc2sccc21 ZINC001236690455 1130994662 /nfs/dbraw/zinc/99/46/62/1130994662.db2.gz RTQQFFLJBNYQFR-ZDUSSCGKSA-N 0 1 261.390 3.512 20 0 CHADMN Cc1ncsc1CN(Cc1ccco1)C1CCCC1 ZINC000271034517 1127066035 /nfs/dbraw/zinc/06/60/35/1127066035.db2.gz FECKYMLJGMXMGM-UHFFFAOYSA-N 0 1 276.405 3.989 20 0 CHADMN CCc1ncc(CN(CC)Cc2cccs2)s1 ZINC000271034094 1127066273 /nfs/dbraw/zinc/06/62/73/1127066273.db2.gz JJBKUDDHEAFFNB-UHFFFAOYSA-N 0 1 266.435 3.789 20 0 CHADMN c1cncc(-c2cccc(CN3CCO[C@@H]4CCC[C@@H]43)c2)c1 ZINC000271133456 1127069389 /nfs/dbraw/zinc/06/93/89/1127069389.db2.gz RFUNHXOFAKUKNT-RBUKOAKNSA-N 0 1 294.398 3.502 20 0 CHADMN Cc1n[nH]cc1CN1CCCC[C@H]1c1ccc(F)cc1 ZINC000271174231 1127071084 /nfs/dbraw/zinc/07/10/84/1127071084.db2.gz GKJSPDLDUMMGLT-INIZCTEOSA-N 0 1 273.355 3.584 20 0 CHADMN Cc1ccccc1C1(CN[C@@H](C)c2cscn2)CC1 ZINC000271178373 1127072414 /nfs/dbraw/zinc/07/24/14/1127072414.db2.gz VKBUPRJWALBTSP-ZDUSSCGKSA-N 0 1 272.417 3.834 20 0 CHADMN Cc1cc(C)cc(C2=CCN(Cc3ccno3)CC2)c1 ZINC000271443983 1127081983 /nfs/dbraw/zinc/08/19/83/1127081983.db2.gz WANIMVQFHJNIOS-UHFFFAOYSA-N 0 1 268.360 3.581 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](C)c2ccc(SC)cc2)n[nH]1 ZINC000271451590 1127082365 /nfs/dbraw/zinc/08/23/65/1127082365.db2.gz GEUNZMVDUZLYPP-GHMZBOCLSA-N 0 1 290.436 3.501 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H]1CCCc2occc21 ZINC000271458515 1127083761 /nfs/dbraw/zinc/08/37/61/1127083761.db2.gz PJQDRSQKEZYFMC-WFASDCNBSA-N 0 1 256.349 3.711 20 0 CHADMN CCc1nc([C@H](C)N[C@H]2C[C@@H](C)c3c2cccc3C)n[nH]1 ZINC000271459323 1127083822 /nfs/dbraw/zinc/08/38/22/1127083822.db2.gz HDMUGUOAEVFWBI-DYEKYZERSA-N 0 1 284.407 3.575 20 0 CHADMN Cc1ccc([C@H](C)NC[C@@H](O)c2c(F)cccc2Cl)o1 ZINC000271489306 1127085502 /nfs/dbraw/zinc/08/55/02/1127085502.db2.gz LPUGEKLVMWZOAM-GXFFZTMASA-N 0 1 297.757 3.765 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H](CO)c2ccc(F)cc2)c1 ZINC000271509014 1127087778 /nfs/dbraw/zinc/08/77/78/1127087778.db2.gz RZEPYUMLVRRSCR-GUYCJALGSA-N 0 1 273.351 3.518 20 0 CHADMN COc1ccnc([C@H](C)N[C@H]2CCc3cc(C)ccc32)c1 ZINC000924842248 1127086385 /nfs/dbraw/zinc/08/63/85/1127086385.db2.gz FXAALVQBKYJJOD-GUYCJALGSA-N 0 1 282.387 3.737 20 0 CHADMN CSc1ccc([C@@H](C)N[C@H]2CCCc3c[nH]nc32)cc1 ZINC000271500583 1127086836 /nfs/dbraw/zinc/08/68/36/1127086836.db2.gz LTWYVOFQXLLWOO-ABAIWWIYSA-N 0 1 287.432 3.860 20 0 CHADMN Cc1ccc(OC(F)F)c([C@@H](C)N[C@@H](C)c2cn[nH]c2)c1 ZINC000271549226 1127091148 /nfs/dbraw/zinc/09/11/48/1127091148.db2.gz RWVPFNAMOIZTJM-WDEREUQCSA-N 0 1 295.333 3.731 20 0 CHADMN CCc1nc([C@H](C)N[C@H](CC)c2ccc(CC)cc2)n[nH]1 ZINC000271560932 1127091667 /nfs/dbraw/zinc/09/16/67/1127091667.db2.gz UIJUTDNFPXSVJJ-SWLSCSKDSA-N 0 1 286.423 3.731 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@@H](C)c1cnccc1C ZINC000271561595 1127091762 /nfs/dbraw/zinc/09/17/62/1127091762.db2.gz OKFXMTYLFKUBTE-KGLIPLIRSA-N 0 1 270.376 3.810 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H](C)c2cc(F)cc(F)c2)n[nH]1 ZINC000271553273 1127092445 /nfs/dbraw/zinc/09/24/45/1127092445.db2.gz SIDQUZCNTKPGCV-VHSXEESVSA-N 0 1 294.349 3.618 20 0 CHADMN C[C@@H](NC[C@H](C)Oc1ccccc1Cl)c1cscn1 ZINC000271567894 1127093350 /nfs/dbraw/zinc/09/33/50/1127093350.db2.gz YRPQXQKYKQGUBV-WDEREUQCSA-N 0 1 296.823 3.915 20 0 CHADMN c1nc2cc(-c3noc(C(C4CC4)C4CC4)n3)ccc2[nH]1 ZINC000273897495 1127101133 /nfs/dbraw/zinc/10/11/33/1127101133.db2.gz LZMPKGAVPQBWAK-UHFFFAOYSA-N 0 1 280.331 3.517 20 0 CHADMN COc1cccc(Cl)c1CSc1nc(C2CC2)n[nH]1 ZINC000339119042 1127114131 /nfs/dbraw/zinc/11/41/31/1127114131.db2.gz PGKGKNHGCGGMFF-UHFFFAOYSA-N 0 1 295.795 3.636 20 0 CHADMN COc1cccc(Cl)c1CSc1n[nH]c(C2CC2)n1 ZINC000339119042 1127114135 /nfs/dbraw/zinc/11/41/35/1127114135.db2.gz PGKGKNHGCGGMFF-UHFFFAOYSA-N 0 1 295.795 3.636 20 0 CHADMN CN(Cc1cn2c(n1)CCCC2)[C@H]1C=CCCCCC1 ZINC000339124688 1127114274 /nfs/dbraw/zinc/11/42/74/1127114274.db2.gz KENHTJXQPDEWHN-INIZCTEOSA-N 0 1 273.424 3.540 20 0 CHADMN CC/C=C\CCN1CCCC[C@H]1c1nccn1CC ZINC000339149430 1127116194 /nfs/dbraw/zinc/11/61/94/1127116194.db2.gz IPSSZZMUQUYFLB-YVACAVLKSA-N 0 1 261.413 3.786 20 0 CHADMN CC(C)c1ncc(CN(C)[C@H]2C=CCCCCC2)cn1 ZINC000339161830 1127117060 /nfs/dbraw/zinc/11/70/60/1127117060.db2.gz WVNKEQBMFPQSMN-INIZCTEOSA-N 0 1 273.424 3.921 20 0 CHADMN Cc1ccccc1[C@H](C)N(C)Cc1cn(C)nc1C(F)F ZINC000274465714 1127120530 /nfs/dbraw/zinc/12/05/30/1127120530.db2.gz IQGUJEDNNWQIHR-LBPRGKRZSA-N 0 1 293.361 3.859 20 0 CHADMN C[C@@H](N[C@H](c1ccc(F)cc1)C(C)(C)C)c1cn(C)cn1 ZINC000924857498 1127132660 /nfs/dbraw/zinc/13/26/60/1127132660.db2.gz SDCFUXMOWPHHFQ-MLGOLLRUSA-N 0 1 289.398 3.997 20 0 CHADMN CCCCCCC(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000029647027 1127132709 /nfs/dbraw/zinc/13/27/09/1127132709.db2.gz KODQERDSFSCEPZ-UHFFFAOYSA-N 0 1 286.379 3.689 20 0 CHADMN C[C@@H]1C[C@H]1CN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000348889699 1127133319 /nfs/dbraw/zinc/13/33/19/1127133319.db2.gz CPFVEQJRTULNNT-XBFCOCLRSA-N 0 1 275.396 3.520 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2c2ccncc2)cc1F ZINC000348894674 1127133771 /nfs/dbraw/zinc/13/37/71/1127133771.db2.gz OPCUFBVIFAUONN-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@H]2c2ccncc2)c1 ZINC000348904091 1127133803 /nfs/dbraw/zinc/13/38/03/1127133803.db2.gz KODKWROXMVDCQZ-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CCc1ccc(CN2CCC[C@@H]2c2cccnc2)o1 ZINC000348923053 1127134455 /nfs/dbraw/zinc/13/44/55/1127134455.db2.gz ROFSBWRTYQQGFA-MRXNPFEDSA-N 0 1 256.349 3.574 20 0 CHADMN Cc1cc(Cl)nc(CN[C@H]2CCc3ccccc32)c1 ZINC000283465290 1127139149 /nfs/dbraw/zinc/13/91/49/1127139149.db2.gz JIYFKUZPWXKLJI-HNNXBMFYSA-N 0 1 272.779 3.821 20 0 CHADMN C[C@H](CCSc1ccccc1)N[C@@H](C)c1ccon1 ZINC000349246447 1127144525 /nfs/dbraw/zinc/14/45/25/1127144525.db2.gz SRUFLLWKVWVJBF-OLZOCXBDSA-N 0 1 276.405 3.896 20 0 CHADMN COC(=O)c1cccc(Cl)c1CN1CCC[C@H]1C1CC1 ZINC000586762786 1127139501 /nfs/dbraw/zinc/13/95/01/1127139501.db2.gz OMQZDRXZSYZUGZ-HNNXBMFYSA-N 0 1 293.794 3.501 20 0 CHADMN Clc1cscc1CN1CC[C@@H](c2ccccn2)C1 ZINC000798962662 1131065513 /nfs/dbraw/zinc/06/55/13/1131065513.db2.gz OMRQUBFYGMXAMV-LLVKDONJSA-N 0 1 278.808 3.786 20 0 CHADMN C[C@]1(CCCO)CCCN1Cc1ccc(Cl)cc1F ZINC000349127544 1127141016 /nfs/dbraw/zinc/14/10/16/1127141016.db2.gz IUXZSTGXOZKYBR-OAHLLOKOSA-N 0 1 285.790 3.606 20 0 CHADMN C[C@]1(CCCO)CCCN1Cc1cc(Cl)ccc1F ZINC000349178041 1127141860 /nfs/dbraw/zinc/14/18/60/1127141860.db2.gz BGNWKASDERTBBS-OAHLLOKOSA-N 0 1 285.790 3.606 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@H](CO)c2ccsc2)c1 ZINC000349316274 1127146106 /nfs/dbraw/zinc/14/61/06/1127146106.db2.gz WJYLXVFXUVSUGS-XJKSGUPXSA-N 0 1 275.417 3.749 20 0 CHADMN COc1ccccc1/C=C\CN(Cc1ccccn1)C1CC1 ZINC000349283989 1127146730 /nfs/dbraw/zinc/14/67/30/1127146730.db2.gz RKDONDOMTPRWAS-VURMDHGXSA-N 0 1 294.398 3.768 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccsc1)c1ccc2c(c1)CCC2 ZINC000349317240 1127147582 /nfs/dbraw/zinc/14/75/82/1127147582.db2.gz YOQKJPKQBPQCLM-SJKOYZFVSA-N 0 1 287.428 3.621 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccsc1)c1ccc(Cl)s1 ZINC000349344657 1127148378 /nfs/dbraw/zinc/14/83/78/1127148378.db2.gz STAHINWTALCFQL-SCZZXKLOSA-N 0 1 287.837 3.847 20 0 CHADMN OC[C@@H](N[C@@H]1CCc2ccc(Cl)cc21)c1ccsc1 ZINC000349341617 1127148447 /nfs/dbraw/zinc/14/84/47/1127148447.db2.gz LFGSXRHQEVSEIQ-HUUCEWRRSA-N 0 1 293.819 3.712 20 0 CHADMN Cc1ccsc1CN(C)Cc1cnc2cccc(C)n12 ZINC000349526051 1127153001 /nfs/dbraw/zinc/15/30/01/1127153001.db2.gz XOFJXHJMNVENMG-UHFFFAOYSA-N 0 1 285.416 3.645 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2cc(C)cc(C)c2)no1 ZINC000044590543 1127153925 /nfs/dbraw/zinc/15/39/25/1127153925.db2.gz NSMQXKVKGLNGJX-QGZVFWFLSA-N 0 1 270.376 3.937 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2c2cccn2C)cc1F ZINC000349578897 1127154173 /nfs/dbraw/zinc/15/41/73/1127154173.db2.gz SLDHJCXOLYOUOW-KRWDZBQOSA-N 0 1 272.367 3.810 20 0 CHADMN Cc1cc(CN[C@@H](CO)c2ccsc2)ccc1Cl ZINC000349635243 1127156847 /nfs/dbraw/zinc/15/68/47/1127156847.db2.gz XLKKKYYECWCYEZ-AWEZNQCLSA-N 0 1 281.808 3.533 20 0 CHADMN CN(Cc1cc(C(F)(F)F)ccc1F)[C@@H]1CCSC1 ZINC000349699062 1127158207 /nfs/dbraw/zinc/15/82/07/1127158207.db2.gz JYVYRDGIZXTNCV-LLVKDONJSA-N 0 1 293.329 3.782 20 0 CHADMN CN(Cc1cc(C(F)(F)F)ccc1F)[C@H]1CCSC1 ZINC000349699063 1127158320 /nfs/dbraw/zinc/15/83/20/1127158320.db2.gz JYVYRDGIZXTNCV-NSHDSACASA-N 0 1 293.329 3.782 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)CC1CC(C)(C)C1 ZINC000349752074 1127159478 /nfs/dbraw/zinc/15/94/78/1127159478.db2.gz ZLVNMMWNONFECB-UHFFFAOYSA-N 0 1 271.364 3.636 20 0 CHADMN CCc1ncc(CN(Cc2ccccc2)C2CC2)s1 ZINC000349792780 1127161641 /nfs/dbraw/zinc/16/16/41/1127161641.db2.gz ZSOWARKIGRWLBX-UHFFFAOYSA-N 0 1 272.417 3.870 20 0 CHADMN Cc1ccsc1CN1CCO[C@@H](c2ccccc2)C1 ZINC000349803854 1127161951 /nfs/dbraw/zinc/16/19/51/1127161951.db2.gz ZMTAMMOWFVEHDS-OAHLLOKOSA-N 0 1 273.401 3.630 20 0 CHADMN Cc1cc2cc(C[N@@H+](C)C[C@H]3CCCO3)oc2cc1C ZINC000349817538 1127162755 /nfs/dbraw/zinc/16/27/55/1127162755.db2.gz BAHOCHSGMYHEMO-OAHLLOKOSA-N 0 1 273.376 3.660 20 0 CHADMN CSc1ccccc1C[C@H](C)N[C@H](C)c1ccon1 ZINC000349855410 1127164736 /nfs/dbraw/zinc/16/47/36/1127164736.db2.gz BIBYLMUHJYDGNO-NWDGAFQWSA-N 0 1 276.405 3.678 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN(Cc2ccn(C)c2)C2CC2)o1 ZINC000349916471 1127167865 /nfs/dbraw/zinc/16/78/65/1127167865.db2.gz SOXWVPLMJWHBSX-CXAGYDPISA-N 0 1 284.403 3.906 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)CCc1cscn1 ZINC000283999342 1127168700 /nfs/dbraw/zinc/16/87/00/1127168700.db2.gz JRDHLPXUKJJZJF-NSHDSACASA-N 0 1 264.369 3.518 20 0 CHADMN COc1ccccc1CN(C)c1ccnc(C)c1Cl ZINC000350284520 1127176352 /nfs/dbraw/zinc/17/63/52/1127176352.db2.gz AXKPBBLEOSYFPJ-UHFFFAOYSA-N 0 1 276.767 3.688 20 0 CHADMN Cc1cc(CN2CC[C@H](C)C2)c(Br)cc1F ZINC001237506885 1131105995 /nfs/dbraw/zinc/10/59/95/1131105995.db2.gz NFNZWYIJPXQKOU-VIFPVBQESA-N 0 1 286.188 3.738 20 0 CHADMN Cc1nccc(N2CCO[C@@H](c3ccccc3)C2)c1Cl ZINC000350252985 1127176424 /nfs/dbraw/zinc/17/64/24/1127176424.db2.gz PTRWVWRTTDSSNI-OAHLLOKOSA-N 0 1 288.778 3.621 20 0 CHADMN CC(C)c1cc(C(=O)N2CCC3(CCCCC3)CC2)n[nH]1 ZINC000588137516 1127176601 /nfs/dbraw/zinc/17/66/01/1127176601.db2.gz UCQNLHFYMDPZDC-UHFFFAOYSA-N 0 1 289.423 3.720 20 0 CHADMN CN(Cc1ccncc1)Cc1cccc(-c2ccncc2)c1 ZINC000350353351 1127177185 /nfs/dbraw/zinc/17/71/85/1127177185.db2.gz JQTCLODTSNYUSU-UHFFFAOYSA-N 0 1 289.382 3.776 20 0 CHADMN CCC(O)(CC)C(C)(C)CNCc1csc(C2CC2)n1 ZINC000572061071 1127190098 /nfs/dbraw/zinc/19/00/98/1127190098.db2.gz XCZZGDSESQHMCM-UHFFFAOYSA-N 0 1 296.480 3.687 20 0 CHADMN CC(C)Cn1ccnc1NCc1ncc(C(C)(C)C)s1 ZINC000351550501 1127193213 /nfs/dbraw/zinc/19/32/13/1127193213.db2.gz LYXFZCYRZKCVDT-UHFFFAOYSA-N 0 1 292.452 3.905 20 0 CHADMN Fc1cc(F)cc(CNc2nccn2Cc2ccccc2)c1 ZINC000351551099 1127193321 /nfs/dbraw/zinc/19/33/21/1127193321.db2.gz SGWPMWWYJRYZNO-UHFFFAOYSA-N 0 1 299.324 3.822 20 0 CHADMN CCc1cnc(CNc2nccn2-c2ccccc2)s1 ZINC000351567976 1127194254 /nfs/dbraw/zinc/19/42/54/1127194254.db2.gz LJVOLIWAFNALMX-UHFFFAOYSA-N 0 1 284.388 3.503 20 0 CHADMN Cc1ccccc1Cc1nnc(CN2CCCCC[C@H]2C)o1 ZINC000351600932 1127197603 /nfs/dbraw/zinc/19/76/03/1127197603.db2.gz ZJJATZZQSIYZTI-OAHLLOKOSA-N 0 1 299.418 3.733 20 0 CHADMN C[C@H](NCCn1ccc2cc(Cl)ccc21)c1ccon1 ZINC000351608705 1127198092 /nfs/dbraw/zinc/19/80/92/1127198092.db2.gz IQVZZOBWXJDIPK-NSHDSACASA-N 0 1 289.766 3.634 20 0 CHADMN C[C@H]1CC[C@@H](N(C)Cc2cc(C(C)(C)C)on2)C1 ZINC000572325667 1127198397 /nfs/dbraw/zinc/19/83/97/1127198397.db2.gz LWMFPFXVKLXJQF-WCQYABFASA-N 0 1 250.386 3.593 20 0 CHADMN CCC(CC)CN(CC)Cc1csc(COC)n1 ZINC000351622759 1127199067 /nfs/dbraw/zinc/19/90/67/1127199067.db2.gz MHEPORQKZYAOQB-UHFFFAOYSA-N 0 1 270.442 3.548 20 0 CHADMN C[C@@H]1COC[C@H](C)N1Cc1ccc(C2CCC2)cc1 ZINC000351643866 1127200695 /nfs/dbraw/zinc/20/06/95/1127200695.db2.gz JPINQSYKMOBSHN-OKILXGFUSA-N 0 1 259.393 3.563 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1ccc2c(c1)CCC=C2 ZINC000351641464 1127200894 /nfs/dbraw/zinc/20/08/94/1127200894.db2.gz MZUMAWOVETVSAR-UHFFFAOYSA-N 0 1 289.338 3.775 20 0 CHADMN Cc1cc(CSc2nc(C)c(-c3ccccc3)[nH]2)on1 ZINC000351671525 1127202890 /nfs/dbraw/zinc/20/28/90/1127202890.db2.gz GBDFFVMMYOZKHZ-UHFFFAOYSA-N 0 1 285.372 3.974 20 0 CHADMN CCc1ccccc1NC(=O)[C@@H](C)N1CCC(C)(C)CC1 ZINC000588905006 1127204091 /nfs/dbraw/zinc/20/40/91/1127204091.db2.gz RNTMMGOBLVLSHQ-CQSZACIVSA-N 0 1 288.435 3.698 20 0 CHADMN CC(C)c1cccc(NC(=O)CN2CCC(C)(C)CC2)c1 ZINC000588905022 1127204551 /nfs/dbraw/zinc/20/45/51/1127204551.db2.gz SCZRLAQONXJVIH-UHFFFAOYSA-N 0 1 288.435 3.871 20 0 CHADMN CCC(C)(C)c1ccc(CN(C)[C@@H](C)C[S@](C)=O)cc1 ZINC000351719480 1127206007 /nfs/dbraw/zinc/20/60/07/1127206007.db2.gz MGRCLWBCJSBLBP-XOBRGWDASA-N 0 1 295.492 3.573 20 0 CHADMN Clc1ccsc1CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000284811035 1127207129 /nfs/dbraw/zinc/20/71/29/1127207129.db2.gz PEUMMQMLVXQMLX-RYUDHWBXSA-N 0 1 271.813 3.545 20 0 CHADMN CSCc1cnc(CN2CC[C@@H](C)C[C@@H](C)C2)s1 ZINC000351759693 1127208834 /nfs/dbraw/zinc/20/88/34/1127208834.db2.gz SDVYYEOUQLXUGS-VXGBXAGGSA-N 0 1 284.494 3.874 20 0 CHADMN Cc1cc([C@H](C)NCC2(Cc3ccccc3)CC2)no1 ZINC000284859487 1127209143 /nfs/dbraw/zinc/20/91/43/1127209143.db2.gz ANIKWUUEHXRERA-AWEZNQCLSA-N 0 1 270.376 3.657 20 0 CHADMN C[C@@H](F)CCN[C@@H](c1nccs1)c1ccccc1 ZINC000351880074 1127212675 /nfs/dbraw/zinc/21/26/75/1127212675.db2.gz WELJEGHPXQFCII-DGCLKSJQSA-N 0 1 264.369 3.570 20 0 CHADMN Clc1csc(CN2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000285053371 1127215110 /nfs/dbraw/zinc/21/51/10/1127215110.db2.gz LGVJVHHOEUKQIO-OLZOCXBDSA-N 0 1 271.813 3.545 20 0 CHADMN Cc1ncc(CN2C[C@@H](C)C[C@@H]2c2cccc(F)c2)cn1 ZINC000352007724 1127215710 /nfs/dbraw/zinc/21/57/10/1127215710.db2.gz YLROKLHVZWYUMH-YVEFUNNKSA-N 0 1 285.366 3.507 20 0 CHADMN CC[N@@H+](CCCCCC(=O)[O-])Cc1ccc(Cl)s1 ZINC000572609540 1127221469 /nfs/dbraw/zinc/22/14/69/1127221469.db2.gz SMQSUPOEXOOKJN-UHFFFAOYSA-N 0 1 289.828 3.868 20 0 CHADMN CC(C)=CCN(C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000572742960 1127225445 /nfs/dbraw/zinc/22/54/45/1127225445.db2.gz ZDDGFZFRDNDISS-GOSISDBHSA-N 0 1 271.404 3.923 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1ccc(C)c(C)c1 ZINC000285349428 1127223258 /nfs/dbraw/zinc/22/32/58/1127223258.db2.gz ANSUJLMUQKZIKA-UHFFFAOYSA-N 0 1 272.392 3.933 20 0 CHADMN CC/C=C/CCN1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000466807489 1127225115 /nfs/dbraw/zinc/22/51/15/1127225115.db2.gz SJEFKSGPBDPEMI-SBXOADHZSA-N 0 1 259.393 3.805 20 0 CHADMN C[C@H](F)CCN1CCc2ccc(Br)cc2C1 ZINC000352361408 1127226747 /nfs/dbraw/zinc/22/67/47/1127226747.db2.gz KIFQQHBEBAKWPQ-JTQLQIEISA-N 0 1 286.188 3.555 20 0 CHADMN CCC[C@@H](C)N(C)Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000466807358 1127227879 /nfs/dbraw/zinc/22/78/79/1127227879.db2.gz YDXSOTCOFTWENN-GFCCVEGCSA-N 0 1 292.814 3.541 20 0 CHADMN COC(=O)c1csc([C@@H](C)NCc2cccc(F)c2)c1 ZINC000285470618 1127230242 /nfs/dbraw/zinc/23/02/42/1127230242.db2.gz AUNYTHNGUXXPGQ-SNVBAGLBSA-N 0 1 293.363 3.525 20 0 CHADMN Cc1noc([C@H]2CCCN2Cc2c(C)cc(C)cc2C)n1 ZINC000285484138 1127231810 /nfs/dbraw/zinc/23/18/10/1127231810.db2.gz BSFOFCISMLLODF-MRXNPFEDSA-N 0 1 285.391 3.640 20 0 CHADMN Cc1ccc(F)cc1CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000352432662 1127232202 /nfs/dbraw/zinc/23/22/02/1127232202.db2.gz RHEIYNYAGSUPRV-IAGOWNOFSA-N 0 1 289.394 3.668 20 0 CHADMN CCCc1ccc(CNc2cnn(-c3ccncc3)c2)cc1 ZINC000589650138 1127233494 /nfs/dbraw/zinc/23/34/94/1127233494.db2.gz IFFNZZOBIYPSCP-UHFFFAOYSA-N 0 1 292.386 3.832 20 0 CHADMN C[C@@H](NCc1ccc(Cl)nc1)c1ccnc(Cl)c1 ZINC000165499928 1127234044 /nfs/dbraw/zinc/23/40/44/1127234044.db2.gz ANOZWXZDRUVSSW-SECBINFHSA-N 0 1 282.174 3.634 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1ccc2ncccc2c1 ZINC000285520253 1127234724 /nfs/dbraw/zinc/23/47/24/1127234724.db2.gz OVTZJTFUNBUFQR-UHFFFAOYSA-N 0 1 295.386 3.865 20 0 CHADMN CSCCN[C@H](C)c1csc(-c2ccccc2F)n1 ZINC000589726743 1127234957 /nfs/dbraw/zinc/23/49/57/1127234957.db2.gz OAKHJIDHJUCMSA-SNVBAGLBSA-N 0 1 296.436 3.963 20 0 CHADMN CC(C)O[C@@H]1C[C@H](N[C@@H](C)c2c(F)cncc2F)C1(C)C ZINC000285530159 1127235955 /nfs/dbraw/zinc/23/59/55/1127235955.db2.gz CMZDFUXNGCTCLY-LEWSCRJBSA-N 0 1 298.377 3.603 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1F ZINC000165665792 1127241249 /nfs/dbraw/zinc/24/12/49/1127241249.db2.gz WLNPDVCMKZWCOC-ZDUSSCGKSA-N 0 1 299.773 3.698 20 0 CHADMN Fc1cccc(CN[C@H](c2ncc[nH]2)C2CCCCC2)c1 ZINC000285723949 1127241895 /nfs/dbraw/zinc/24/18/95/1127241895.db2.gz QHKWBZJDAGGTEA-INIZCTEOSA-N 0 1 287.382 3.960 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000352836338 1127246232 /nfs/dbraw/zinc/24/62/32/1127246232.db2.gz KGIKBMPHLLGDEB-UHFFFAOYSA-N 0 1 294.358 3.863 20 0 CHADMN C[C@@H]1CCCC[N@@H+](Cc2cc(F)c([O-])c(Cl)c2)C1 ZINC001237984951 1131158013 /nfs/dbraw/zinc/15/80/13/1131158013.db2.gz SQNOCRGRXXCTKF-SNVBAGLBSA-N 0 1 271.763 3.807 20 0 CHADMN C[C@]1(CCCO)CCCN1Cc1c(F)cccc1Cl ZINC000352880904 1127248085 /nfs/dbraw/zinc/24/80/85/1127248085.db2.gz YDHSSIQAQJHMAI-OAHLLOKOSA-N 0 1 285.790 3.606 20 0 CHADMN c1c[nH]c([C@H]2CCCCN2Cc2cccc3cc[nH]c32)n1 ZINC000352899174 1127248887 /nfs/dbraw/zinc/24/88/87/1127248887.db2.gz BTPRLHSPVKELGB-OAHLLOKOSA-N 0 1 280.375 3.618 20 0 CHADMN c1c[nH]c([C@@H]2CCCCN2C[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000352913972 1127250663 /nfs/dbraw/zinc/25/06/63/1127250663.db2.gz JINDJHZMLTYFMY-ULQDDVLXSA-N 0 1 281.403 3.740 20 0 CHADMN COc1cccc(C2=CCN(Cc3cccc(O)c3)CC2)c1 ZINC000352943440 1127252766 /nfs/dbraw/zinc/25/27/66/1127252766.db2.gz CPKDTEHESBQSIJ-UHFFFAOYSA-N 0 1 295.382 3.690 20 0 CHADMN COc1ccc(C(=O)CCN(C)[C@H](C)c2ccco2)cc1 ZINC000286034486 1127255074 /nfs/dbraw/zinc/25/50/74/1127255074.db2.gz QCIKJFUKGOJXIA-CYBMUJFWSA-N 0 1 287.359 3.554 20 0 CHADMN C[C@@H]1CCSCCN1Cc1cc(-c2ccccc2)on1 ZINC000286143683 1127260787 /nfs/dbraw/zinc/26/07/87/1127260787.db2.gz NEFFFJGWBMYRRV-CYBMUJFWSA-N 0 1 288.416 3.669 20 0 CHADMN CCOC[C@H](NCc1coc(-c2cccs2)n1)C(C)C ZINC000286157400 1127261398 /nfs/dbraw/zinc/26/13/98/1127261398.db2.gz NWSCNFNZQHRKDN-ZDUSSCGKSA-N 0 1 294.420 3.554 20 0 CHADMN COc1cccc(C2(N[C@H](C)c3cc(C)ccn3)CC2)c1 ZINC000286176932 1127261911 /nfs/dbraw/zinc/26/19/11/1127261911.db2.gz QDRIVYGTPVNVJZ-CQSZACIVSA-N 0 1 282.387 3.739 20 0 CHADMN CCn1cc(CNc2cc(C)nc3ccc(F)cc32)cn1 ZINC000286214939 1127262893 /nfs/dbraw/zinc/26/28/93/1127262893.db2.gz BRZYPCKEHVSENY-UHFFFAOYSA-N 0 1 284.338 3.511 20 0 CHADMN C[C@H]1CCSCCN1Cc1nc2ccccc2s1 ZINC000286240028 1127263108 /nfs/dbraw/zinc/26/31/08/1127263108.db2.gz RTUHXFDVIFWTBJ-NSHDSACASA-N 0 1 278.446 3.624 20 0 CHADMN Cc1ccnc([C@H](C)N[C@H](CCCO)c2ccccc2)c1 ZINC000286234828 1127263430 /nfs/dbraw/zinc/26/34/30/1127263430.db2.gz SYRFODQEXLVQAD-DOTOQJQBSA-N 0 1 284.403 3.554 20 0 CHADMN C[C@H]1CC2(CCC2)C[N@@H+]1Cc1cccc([O-])c1Cl ZINC000353201092 1127264292 /nfs/dbraw/zinc/26/42/92/1127264292.db2.gz FAPNXEITBYCBHR-NSHDSACASA-N 0 1 265.784 3.810 20 0 CHADMN C[C@H]1CC2(CCC2)C[N@H+]1Cc1cccc([O-])c1Cl ZINC000353201092 1127264295 /nfs/dbraw/zinc/26/42/95/1127264295.db2.gz FAPNXEITBYCBHR-NSHDSACASA-N 0 1 265.784 3.810 20 0 CHADMN CC(C)CN(CCc1ccc(F)cc1)Cc1cscn1 ZINC000590622474 1127265970 /nfs/dbraw/zinc/26/59/70/1127265970.db2.gz AAINQNPOLAVSBS-UHFFFAOYSA-N 0 1 292.423 3.983 20 0 CHADMN CC(C)[C@@H](NCc1cccs1)c1ccc(F)cn1 ZINC000353334070 1127267203 /nfs/dbraw/zinc/26/72/03/1127267203.db2.gz FKFXDELKDXNZLG-CQSZACIVSA-N 0 1 264.369 3.769 20 0 CHADMN CSCC1CCC(NC(C)(C)C(F)F)CC1 ZINC000590653334 1127267284 /nfs/dbraw/zinc/26/72/84/1127267284.db2.gz BAKJGOSVGGTCLR-UHFFFAOYSA-N 0 1 251.386 3.542 20 0 CHADMN CCc1ccc([C@H]2CCCN([C@H](C)c3nnc(C)o3)C2)cc1 ZINC000286462956 1127268072 /nfs/dbraw/zinc/26/80/72/1127268072.db2.gz NEIVYCBWTSNJJI-DYVFJYSZSA-N 0 1 299.418 3.881 20 0 CHADMN Cc1[nH+]ccn1CCC[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000286730277 1127272588 /nfs/dbraw/zinc/27/25/88/1127272588.db2.gz HCZJNXQSQLMTDB-HNNXBMFYSA-N 0 1 289.448 3.726 20 0 CHADMN Cc1ccc(-c2ccc(CN(C)CCn3cccn3)o2)cc1 ZINC000353573518 1127269996 /nfs/dbraw/zinc/26/99/96/1127269996.db2.gz XSSJWJKZMIUOOQ-UHFFFAOYSA-N 0 1 295.386 3.584 20 0 CHADMN C[C@H](NCc1ccc2sccc2c1)c1cnccn1 ZINC000353573544 1127270522 /nfs/dbraw/zinc/27/05/22/1127270522.db2.gz IAXUSIAHISMEES-NSHDSACASA-N 0 1 269.373 3.542 20 0 CHADMN COc1ccc([C@H](C)NCc2cscc2C)cc1O ZINC000353592718 1127270844 /nfs/dbraw/zinc/27/08/44/1127270844.db2.gz BOZNBVWSOHZJOR-NSHDSACASA-N 0 1 277.389 3.622 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](C)c2ccccc2C)c(F)cn1 ZINC000286871930 1127275316 /nfs/dbraw/zinc/27/53/16/1127275316.db2.gz HOBISCREXQOYRQ-QWHCGFSZSA-N 0 1 288.366 3.950 20 0 CHADMN COC1CCC(N(C)Cc2csc(C(C)C)n2)CC1 ZINC000353903691 1127277115 /nfs/dbraw/zinc/27/71/15/1127277115.db2.gz XIKNPTGPSLLJDS-UHFFFAOYSA-N 0 1 282.453 3.656 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN2CCSC(C)(C)C2)o1 ZINC000353908693 1127277338 /nfs/dbraw/zinc/27/73/38/1127277338.db2.gz CWDXBCZZIURIGU-AAEUAGOBSA-N 0 1 265.422 3.730 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN1CCS[C@@H](C)[C@H]1C ZINC000353923853 1127278498 /nfs/dbraw/zinc/27/84/98/1127278498.db2.gz PDJDEMKIBSPETB-OCCSQVGLSA-N 0 1 295.496 3.581 20 0 CHADMN CCn1cc(CN[C@H](c2cc(F)ccc2F)C(C)C)cn1 ZINC000353957178 1127281936 /nfs/dbraw/zinc/28/19/36/1127281936.db2.gz NWLNBLPZYMOZLY-INIZCTEOSA-N 0 1 293.361 3.668 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)cn1)c1ccc2n[nH]cc2c1 ZINC000353995364 1127283953 /nfs/dbraw/zinc/28/39/53/1127283953.db2.gz HXJORBBNJLVZAG-GHMZBOCLSA-N 0 1 284.338 3.509 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H]2CSC[C@@H]2C)cs1 ZINC000354018285 1127285781 /nfs/dbraw/zinc/28/57/81/1127285781.db2.gz PEIYXRCTVXELGH-DCAQKATOSA-N 0 1 270.467 3.669 20 0 CHADMN C[C@H]1CCN(Cc2nc(C3CC3)cs2)CC1(C)C ZINC000354025124 1127286225 /nfs/dbraw/zinc/28/62/25/1127286225.db2.gz ZBXGXWZSONSNQY-NSHDSACASA-N 0 1 264.438 3.889 20 0 CHADMN C[C@@H]1CN(Cc2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 ZINC000354025410 1127286288 /nfs/dbraw/zinc/28/62/88/1127286288.db2.gz DDVULOXLOVQFMD-AUUYWEPGSA-N 0 1 295.382 3.651 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccc(Cl)cc1)c1ccccn1 ZINC000287092881 1127288177 /nfs/dbraw/zinc/28/81/77/1127288177.db2.gz POABGRDLKBCRCJ-BLLLJJGKSA-N 0 1 290.794 3.509 20 0 CHADMN CCCCCC[C@H](C)NCc1nccc(C(F)F)n1 ZINC000287104181 1127288821 /nfs/dbraw/zinc/28/88/21/1127288821.db2.gz QEYPZFVMIITQTI-NSHDSACASA-N 0 1 271.355 3.863 20 0 CHADMN Cn1ccnc1CN1CCC[C@@H](CCCc2ccccc2)C1 ZINC000354054357 1127289337 /nfs/dbraw/zinc/28/93/37/1127289337.db2.gz SLUPBOFDYOSYGD-GOSISDBHSA-N 0 1 297.446 3.655 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cccc(C)n1 ZINC000354111774 1127293938 /nfs/dbraw/zinc/29/39/38/1127293938.db2.gz UQMVKDIELVLXRI-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN CC(C)c1cc(CN2CC[C@@H](O)C[C@@H]2C)ccc1Cl ZINC001238227337 1131185120 /nfs/dbraw/zinc/18/51/20/1131185120.db2.gz IBZMUEPMALFQOW-GXTWGEPZSA-N 0 1 281.827 3.809 20 0 CHADMN Cc1nc([C@@H](C)N2CC3(CC=CC3)[C@@H]2c2ccccc2)n[nH]1 ZINC000646118503 1127303188 /nfs/dbraw/zinc/30/31/88/1127303188.db2.gz LHGHDOKVXXVXEV-CJNGLKHVSA-N 0 1 294.402 3.567 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)N1CCC[C@@H](CCO)C1 ZINC000591473190 1127305398 /nfs/dbraw/zinc/30/53/98/1127305398.db2.gz GGPSTSGFQHFGIN-RYUDHWBXSA-N 0 1 285.790 3.635 20 0 CHADMN Cc1nsc(C)c1CN1C[C@H](C)C[C@H]1c1cccnc1 ZINC000573263153 1127305569 /nfs/dbraw/zinc/30/55/69/1127305569.db2.gz GSUUBEWISLYYGP-BZNIZROVSA-N 0 1 287.432 3.738 20 0 CHADMN C1=CCC2(CN(Cc3ccncc3)[C@H]2c2ccccc2)C1 ZINC000646117922 1127301743 /nfs/dbraw/zinc/30/17/43/1127301743.db2.gz WNKDMUTWAVUIGX-SFHVURJKSA-N 0 1 276.383 3.975 20 0 CHADMN CC(C)(C)c1nc(SCc2csc(Cl)n2)n[nH]1 ZINC000287630939 1127311333 /nfs/dbraw/zinc/31/13/33/1127311333.db2.gz VECFMWKKHUKTRZ-UHFFFAOYSA-N 0 1 288.829 3.504 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cccc(C(C)C)n3)cc2[nH]1 ZINC000354430239 1127307535 /nfs/dbraw/zinc/30/75/35/1127307535.db2.gz CPRQPMRTKPIUSM-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN C[C@H]1C[N@H+]([C@@H]2CCc3c2cccc3F)CCC1(F)F ZINC001117625910 1131190232 /nfs/dbraw/zinc/19/02/32/1131190232.db2.gz GKDHKEFIEDRMLO-IINYFYTJSA-N 0 1 269.310 3.790 20 0 CHADMN CO[C@H](C)CN(Cc1nc2ccccc2s1)C(C)C ZINC000354446087 1127309067 /nfs/dbraw/zinc/30/90/67/1127309067.db2.gz FFCZUWWYRPNLCI-GFCCVEGCSA-N 0 1 278.421 3.542 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2csc(Cl)n2)n1 ZINC000287630939 1127311330 /nfs/dbraw/zinc/31/13/30/1127311330.db2.gz VECFMWKKHUKTRZ-UHFFFAOYSA-N 0 1 288.829 3.504 20 0 CHADMN COc1ccncc1CN1CCC(c2ccsc2)CC1 ZINC000287903910 1127315596 /nfs/dbraw/zinc/31/55/96/1127315596.db2.gz UZAMFNHTGYEMSK-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN CC(C)Oc1ccc(CN2CCCC23CC3)c(F)c1 ZINC001238445695 1131201883 /nfs/dbraw/zinc/20/18/83/1131201883.db2.gz VWBQPXBMGWZWHQ-UHFFFAOYSA-N 0 1 263.356 3.741 20 0 CHADMN COc1ccncc1CN[C@H](CC(C)C)c1ccccc1 ZINC000287880841 1127314123 /nfs/dbraw/zinc/31/41/23/1127314123.db2.gz SVRIJIOYGNMZJA-QGZVFWFLSA-N 0 1 284.403 3.967 20 0 CHADMN CC(C)Oc1cc(CN2CCC(C)(F)CC2)ccc1F ZINC001238453858 1131202233 /nfs/dbraw/zinc/20/22/33/1131202233.db2.gz HDIRPIBCZDJDLV-UHFFFAOYSA-N 0 1 283.362 3.937 20 0 CHADMN Cc1c(Cl)ccc(CN2CCCC23CC3)c1F ZINC001238513365 1131212815 /nfs/dbraw/zinc/21/28/15/1131212815.db2.gz SNMXPXQIXUPFJM-UHFFFAOYSA-N 0 1 253.748 3.916 20 0 CHADMN C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1Cc1cnc[nH]1 ZINC000355134034 1127319854 /nfs/dbraw/zinc/31/98/54/1127319854.db2.gz MBMYMCCPUJDNTC-SECBINFHSA-N 0 1 296.201 3.836 20 0 CHADMN CC(C)=CCNCc1[nH+]c(C(C)C)n2ccccc12 ZINC000573618842 1127320183 /nfs/dbraw/zinc/32/01/83/1127320183.db2.gz RUHVQLAUOXIKOK-UHFFFAOYSA-N 0 1 257.381 3.514 20 0 CHADMN CC(C)=CCNCc1nc(C(C)C)n2ccccc12 ZINC000573618842 1127320185 /nfs/dbraw/zinc/32/01/85/1127320185.db2.gz RUHVQLAUOXIKOK-UHFFFAOYSA-N 0 1 257.381 3.514 20 0 CHADMN CC(C)n1nccc1CNCc1ccc(C2CC2)cc1 ZINC000355162480 1127322106 /nfs/dbraw/zinc/32/21/06/1127322106.db2.gz WVDDQPLOBNNSSH-UHFFFAOYSA-N 0 1 269.392 3.631 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H]2COCc3ccccc32)c(C)n1 ZINC000669426471 1127326672 /nfs/dbraw/zinc/32/66/72/1127326672.db2.gz JQZFALVQLXQJAB-KDOFPFPSSA-N 0 1 282.387 3.621 20 0 CHADMN Cc1cccc(C)c1[C@@H](C)NC(=O)c1cccc2nc[nH]c21 ZINC000355168387 1127322546 /nfs/dbraw/zinc/32/25/46/1127322546.db2.gz JIPCPNGGTJVNQB-CYBMUJFWSA-N 0 1 293.370 3.671 20 0 CHADMN CCO[C@@H]1CCCN(Cc2cc(C)ccc2Cl)C1 ZINC001238555674 1131215124 /nfs/dbraw/zinc/21/51/24/1131215124.db2.gz BOEIEMHWGGLYBL-CQSZACIVSA-N 0 1 267.800 3.649 20 0 CHADMN CC[C@H](C)CCC(=O)Nc1cc2cn[nH]c2cc1C ZINC000355191602 1127323962 /nfs/dbraw/zinc/32/39/62/1127323962.db2.gz BHZVRGFVCVHMCA-JTQLQIEISA-N 0 1 259.353 3.636 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC[C@@H](n2ccnc2)C1 ZINC000591869070 1127324666 /nfs/dbraw/zinc/32/46/66/1127324666.db2.gz HVXFAGZVROEWFR-TZMCWYRMSA-N 0 1 291.345 3.559 20 0 CHADMN CN(Cc1nc2ccccc2n1C)[C@H]1C[C@@H]1c1ccccc1 ZINC000355208292 1127324958 /nfs/dbraw/zinc/32/49/58/1127324958.db2.gz OZQOZZZEOYEXPP-QAPCUYQASA-N 0 1 291.398 3.561 20 0 CHADMN Cc1ccc(CN[C@@H](CO)c2ccccc2C)c(Cl)c1 ZINC000573808573 1127329509 /nfs/dbraw/zinc/32/95/09/1127329509.db2.gz MODCANAJRUPBIJ-KRWDZBQOSA-N 0 1 289.806 3.780 20 0 CHADMN CC(C)CC1CCN(Cc2noc3c2CCCC3)CC1 ZINC000760925351 1127333167 /nfs/dbraw/zinc/33/31/67/1127333167.db2.gz KNJALZOVGWPCMR-UHFFFAOYSA-N 0 1 276.424 3.812 20 0 CHADMN Cc1nn(C)c(Cl)c1CN1CCC(CC(C)C)CC1 ZINC000760924259 1127333513 /nfs/dbraw/zinc/33/35/13/1127333513.db2.gz MCBXVPQIRZRBRR-UHFFFAOYSA-N 0 1 283.847 3.640 20 0 CHADMN CCN(CCSC)Cc1nc(-c2cccs2)oc1C ZINC000592198029 1127338828 /nfs/dbraw/zinc/33/88/28/1127338828.db2.gz HJQXGDXTSZCNDW-UHFFFAOYSA-N 0 1 296.461 3.896 20 0 CHADMN CCN(CCSC)Cc1sc(C)nc1C(F)(F)F ZINC000592204362 1127340327 /nfs/dbraw/zinc/34/03/27/1127340327.db2.gz RERPEHKARDUUDR-UHFFFAOYSA-N 0 1 298.399 3.655 20 0 CHADMN c1ccc2c(c1)CC[C@@H]2CSc1nc(C2CC2)n[nH]1 ZINC000355422356 1127340440 /nfs/dbraw/zinc/34/04/40/1127340440.db2.gz AJNYHTPWQKXSIE-GFCCVEGCSA-N 0 1 271.389 3.504 20 0 CHADMN c1ccc2c(c1)CC[C@@H]2CSc1n[nH]c(C2CC2)n1 ZINC000355422356 1127340445 /nfs/dbraw/zinc/34/04/45/1127340445.db2.gz AJNYHTPWQKXSIE-GFCCVEGCSA-N 0 1 271.389 3.504 20 0 CHADMN CCN(CCSC)[C@H](C)c1nnc(-c2cccs2)o1 ZINC000592200439 1127340583 /nfs/dbraw/zinc/34/05/83/1127340583.db2.gz YHKHUDWYIHXAJB-SNVBAGLBSA-N 0 1 297.449 3.544 20 0 CHADMN CC=Cc1ccc(NC(=O)c2cn[nH]c2C(C)(C)C)cc1 ZINC000573988452 1127348205 /nfs/dbraw/zinc/34/82/05/1127348205.db2.gz GCXOPXFNSSTJPH-AATRIKPKSA-N 0 1 283.375 3.993 20 0 CHADMN COc1ccc2oc(CN(C)Cc3cnccc3C)cc2c1 ZINC000355590435 1127352512 /nfs/dbraw/zinc/35/25/12/1127352512.db2.gz ZSVDHCJFPBVXCH-UHFFFAOYSA-N 0 1 296.370 3.777 20 0 CHADMN CC[N@@H+](CCSC)Cc1cccc(OC)c1OC(C)C ZINC000592528694 1127353922 /nfs/dbraw/zinc/35/39/22/1127353922.db2.gz DFMQWBXPIGFCRW-UHFFFAOYSA-N 0 1 297.464 3.667 20 0 CHADMN CCCc1cccc(CN(CCO)Cc2ccc(C)o2)c1 ZINC000355657331 1127355718 /nfs/dbraw/zinc/35/57/18/1127355718.db2.gz WWJADVQTLIGNOB-UHFFFAOYSA-N 0 1 287.403 3.535 20 0 CHADMN Cc1nccc(NCc2cccc3cc[nH]c32)c1Cl ZINC000355664505 1127356866 /nfs/dbraw/zinc/35/68/66/1127356866.db2.gz GRJJNIXINLVNLD-UHFFFAOYSA-N 0 1 271.751 3.559 20 0 CHADMN Cc1nccc(N2CC[C@H](C)C(F)(F)C2)c1Cl ZINC000355679507 1127358996 /nfs/dbraw/zinc/35/89/96/1127358996.db2.gz GZENKAQOGKNJRT-QMMMGPOBSA-N 0 1 260.715 3.525 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC[C@@]2(CCCOC2)C1 ZINC000355779849 1127364120 /nfs/dbraw/zinc/36/41/20/1127364120.db2.gz HDXSCNNCMWYMMJ-SUMWQHHRSA-N 0 1 295.373 3.918 20 0 CHADMN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2csc(N(C)C3CC3)n2)C1 ZINC000355733448 1127361464 /nfs/dbraw/zinc/36/14/64/1127361464.db2.gz LDEWFBNVANIUJH-FRRDWIJNSA-N 0 1 293.480 3.608 20 0 CHADMN CCc1ccc(CN2CCC[C@@H]2c2ccncc2)o1 ZINC000289149019 1127374755 /nfs/dbraw/zinc/37/47/55/1127374755.db2.gz AYDOQNCJTYUSTB-MRXNPFEDSA-N 0 1 256.349 3.574 20 0 CHADMN CO[C@@H](CNCc1ncc(-c2ccccc2)s1)C(C)C ZINC000356306427 1127381734 /nfs/dbraw/zinc/38/17/34/1127381734.db2.gz LCJIUQXPPVEGPD-AWEZNQCLSA-N 0 1 290.432 3.571 20 0 CHADMN COc1ccccc1[C@H](NCC1(C)CC1)c1ccccn1 ZINC000925494615 1127382788 /nfs/dbraw/zinc/38/27/88/1127382788.db2.gz PZJFBKYQRASNFI-KRWDZBQOSA-N 0 1 282.387 3.569 20 0 CHADMN CCOC(=O)c1ccc(CN[C@@H]2CCc3ccc(C)cc32)o1 ZINC000593676942 1127395204 /nfs/dbraw/zinc/39/52/04/1127395204.db2.gz QQDMTJJQNHHCKI-MRXNPFEDSA-N 0 1 299.370 3.542 20 0 CHADMN C[C@@H](NCc1cnc2ccccc2c1)c1cncs1 ZINC000358045863 1127398342 /nfs/dbraw/zinc/39/83/42/1127398342.db2.gz KFYWWILQDFBDKH-LLVKDONJSA-N 0 1 269.373 3.542 20 0 CHADMN CC(C)[C@H](NC(=O)C(F)(F)C(F)F)c1ccc(F)cc1 ZINC000226600911 1127411921 /nfs/dbraw/zinc/41/19/21/1127411921.db2.gz RUDBTQZNKYSWAU-JTQLQIEISA-N 0 1 295.251 3.539 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@H](C(C)(C)C)C2)c1 ZINC000358285292 1127412895 /nfs/dbraw/zinc/41/28/95/1127412895.db2.gz DCCSNKLYINOKBF-AWEZNQCLSA-N 0 1 299.418 3.770 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](c2cccnc2)C2CC2)o1 ZINC000358367570 1127417801 /nfs/dbraw/zinc/41/78/01/1127417801.db2.gz MNSSZMVRQGHOFL-MLGOLLRUSA-N 0 1 256.349 3.785 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](CO)c2sccc2C)o1 ZINC000358400131 1127418980 /nfs/dbraw/zinc/41/89/80/1127418980.db2.gz LFFNQWOJMZDFGH-AAEUAGOBSA-N 0 1 279.405 3.596 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C[C@@H]2CCC[C@H](C)C2)c1 ZINC000358532955 1127425178 /nfs/dbraw/zinc/42/51/78/1127425178.db2.gz VAYLLUQFQGPTHB-WCQYABFASA-N 0 1 289.375 3.750 20 0 CHADMN CCC1CCC([N@@H+](C)Cc2nc(C)c(C)o2)CC1 ZINC000358532113 1127425341 /nfs/dbraw/zinc/42/53/41/1127425341.db2.gz HKNMSPHWKKPLAY-UHFFFAOYSA-N 0 1 250.386 3.692 20 0 CHADMN CCC1CCC(N(C)Cc2nc(C)c(C)o2)CC1 ZINC000358532113 1127425344 /nfs/dbraw/zinc/42/53/44/1127425344.db2.gz HKNMSPHWKKPLAY-UHFFFAOYSA-N 0 1 250.386 3.692 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C[C@H](C)C(C)(C)C)c1 ZINC000358530580 1127425381 /nfs/dbraw/zinc/42/53/81/1127425381.db2.gz OBTWBHOZONHFQF-JTQLQIEISA-N 0 1 277.364 3.606 20 0 CHADMN c1cc2c(s1)CCC[C@@H]2N[C@H]1CCc2cccnc21 ZINC000226819404 1127427142 /nfs/dbraw/zinc/42/71/42/1127427142.db2.gz ADZCWSKEMOLCHH-KBPBESRZSA-N 0 1 270.401 3.798 20 0 CHADMN CS[C@@H](C)CCC(=O)Nc1cccc(Cl)c1O ZINC000358706390 1127431298 /nfs/dbraw/zinc/43/12/98/1127431298.db2.gz TUPUIFNYIPRATG-QMMMGPOBSA-N 0 1 273.785 3.516 20 0 CHADMN CC/C=C/CCN(C)CC(=O)Nc1cccc(Cl)c1 ZINC000466833632 1127432262 /nfs/dbraw/zinc/43/22/62/1127432262.db2.gz VNFIRUXXSHPYPD-SNAWJCMRSA-N 0 1 280.799 3.567 20 0 CHADMN c1ccc2c(c1)CC[C@@H](CSc1nc(C3CC3)n[nH]1)C2 ZINC000358866359 1127437134 /nfs/dbraw/zinc/43/71/34/1127437134.db2.gz BENNVRJNMILUHK-LLVKDONJSA-N 0 1 285.416 3.579 20 0 CHADMN c1ccc2c(c1)CC[C@@H](CSc1n[nH]c(C3CC3)n1)C2 ZINC000358866359 1127437135 /nfs/dbraw/zinc/43/71/35/1127437135.db2.gz BENNVRJNMILUHK-LLVKDONJSA-N 0 1 285.416 3.579 20 0 CHADMN Cc1noc(C)c1CNCc1cc2c(cc(C)cc2C)[nH]1 ZINC000359082410 1127448397 /nfs/dbraw/zinc/44/83/97/1127448397.db2.gz WXBLJWKLWMVIEO-UHFFFAOYSA-N 0 1 283.375 3.679 20 0 CHADMN COc1ccc(CN[C@H](c2cccnc2)C(C)C)c(F)c1 ZINC000359329820 1127458961 /nfs/dbraw/zinc/45/89/61/1127458961.db2.gz JSYVXVBSPDVKCX-KRWDZBQOSA-N 0 1 288.366 3.716 20 0 CHADMN COc1cc2c(cc1F)nccc2NCCc1ccco1 ZINC000359363249 1127460126 /nfs/dbraw/zinc/46/01/26/1127460126.db2.gz LXUFDQJXGDDCPS-UHFFFAOYSA-N 0 1 286.306 3.630 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(/C=C\c2nc(C3(N)CCCC3)no2)o1 ZINC000575045051 1127461021 /nfs/dbraw/zinc/46/10/21/1127461021.db2.gz MZWXLYLASVAREU-QGSKFPASSA-N 0 1 299.374 3.684 20 0 CHADMN CCC[C@@H](CC)[S@@](=O)C=C(O)c1cc(C)n(CC)c1C ZINC000359384906 1127461097 /nfs/dbraw/zinc/46/10/97/1127461097.db2.gz GJKXDBUOYSBCTO-VLIAUNLRSA-N 0 1 297.464 3.635 20 0 CHADMN CCC[C@@H](CC)[S@](=O)C=C(O)c1cc(C)n(CC)c1C ZINC000359384902 1127461378 /nfs/dbraw/zinc/46/13/78/1127461378.db2.gz GJKXDBUOYSBCTO-JLTOFOAXSA-N 0 1 297.464 3.635 20 0 CHADMN c1cnc2ccc(CNc3cc4c(cn3)CCCC4)cc2c1 ZINC000359467134 1127464516 /nfs/dbraw/zinc/46/45/16/1127464516.db2.gz LJMRLEKXDLAZRS-UHFFFAOYSA-N 0 1 289.382 3.543 20 0 CHADMN COc1ccccc1CNc1cc2c(cn1)CCCC2 ZINC000359464899 1127464557 /nfs/dbraw/zinc/46/45/57/1127464557.db2.gz FBLKDASWWBVDOA-UHFFFAOYSA-N 0 1 268.360 3.581 20 0 CHADMN CC(C)CN(C)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000466836797 1127464622 /nfs/dbraw/zinc/46/46/22/1127464622.db2.gz VHXKIJQSHSTNCU-UHFFFAOYSA-N 0 1 277.799 3.614 20 0 CHADMN CSCCN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000595515113 1127465026 /nfs/dbraw/zinc/46/50/26/1127465026.db2.gz LTTJJDRMCJITPP-VIFPVBQESA-N 0 1 283.828 3.572 20 0 CHADMN CC(C)c1noc([C@@H](C)[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)n1 ZINC000359569495 1127468525 /nfs/dbraw/zinc/46/85/25/1127468525.db2.gz YVKIUOOMZXMXRL-IOASZLSFSA-N 0 1 277.412 3.766 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CC[C@]3(CC[C@@H](C)C3)C2)n1 ZINC000359569495 1127468526 /nfs/dbraw/zinc/46/85/26/1127468526.db2.gz YVKIUOOMZXMXRL-IOASZLSFSA-N 0 1 277.412 3.766 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359539053 1127467237 /nfs/dbraw/zinc/46/72/37/1127467237.db2.gz BKHGXELIOPMHSY-WQGACYEGSA-N 0 1 275.396 3.520 20 0 CHADMN CCO[C@@H](C)c1noc(CN(C)C2CCCCCCC2)n1 ZINC000076724212 1127471308 /nfs/dbraw/zinc/47/13/08/1127471308.db2.gz MXNBVLRLJGXMCZ-ZDUSSCGKSA-N 0 1 295.427 3.712 20 0 CHADMN Cc1nc(C)c(CN2Cc3ccccc3OC[C@H]2C)s1 ZINC000359897277 1127482409 /nfs/dbraw/zinc/48/24/09/1127482409.db2.gz RMMMTTDIAGZTDT-LLVKDONJSA-N 0 1 288.416 3.543 20 0 CHADMN CO[C@@](C)(CNc1ccnc2cc(F)ccc21)C1CC1 ZINC000359953417 1127484294 /nfs/dbraw/zinc/48/42/94/1127484294.db2.gz BUHBDOBVRPBDSQ-INIZCTEOSA-N 0 1 274.339 3.601 20 0 CHADMN CC1CCC(CC(=O)Nc2ccc3nc[nH]c3c2)CC1 ZINC000359964829 1127484767 /nfs/dbraw/zinc/48/47/67/1127484767.db2.gz SWXDSENUCMKMOD-UHFFFAOYSA-N 0 1 271.364 3.718 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1ccc(C)nc1C ZINC000360150761 1127490531 /nfs/dbraw/zinc/49/05/31/1127490531.db2.gz STAIAGSFRCMLBL-OAHLLOKOSA-N 0 1 284.403 3.866 20 0 CHADMN CC=Cc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1 ZINC000360319188 1127495650 /nfs/dbraw/zinc/49/56/50/1127495650.db2.gz OZKLWMJHUWCEGQ-IHWYPQMZSA-N 0 1 267.332 3.573 20 0 CHADMN CO[C@@H](CNCc1c(Cl)ccnc1Cl)CC(C)C ZINC001308824314 1127498129 /nfs/dbraw/zinc/49/81/29/1127498129.db2.gz RBEQKQMCMVVRQW-SNVBAGLBSA-N 0 1 291.222 3.539 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cccc(C(C)C)n1 ZINC000360428113 1127498810 /nfs/dbraw/zinc/49/88/10/1127498810.db2.gz MRSZCVOXGXTBIC-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(F)cc1C ZINC000360430873 1127498858 /nfs/dbraw/zinc/49/88/58/1127498858.db2.gz ZGOLPDKSNZDAIV-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1nc([C@@H]2CCC[N@H+]2CC[C@H]2CCCCO2)cs1 ZINC000360614310 1127502646 /nfs/dbraw/zinc/50/26/46/1127502646.db2.gz RVEVOKYPJIPVFE-HIFRSBDPSA-N 0 1 280.437 3.548 20 0 CHADMN Cc1nc([C@@H]2CCCN2CC[C@H]2CCCCO2)cs1 ZINC000360614310 1127502647 /nfs/dbraw/zinc/50/26/47/1127502647.db2.gz RVEVOKYPJIPVFE-HIFRSBDPSA-N 0 1 280.437 3.548 20 0 CHADMN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC000360705490 1127507220 /nfs/dbraw/zinc/50/72/20/1127507220.db2.gz QDBIASGQJNHRAI-WCQYABFASA-N 0 1 289.423 3.574 20 0 CHADMN Cc1nocc1CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000293665481 1127511298 /nfs/dbraw/zinc/51/12/98/1127511298.db2.gz UJGGLOLCTRFHKY-MRXNPFEDSA-N 0 1 274.339 3.753 20 0 CHADMN Cc1cnc(CN[C@H](C)C2(c3ccccc3)CCCC2)nc1 ZINC000360787879 1127511591 /nfs/dbraw/zinc/51/15/91/1127511591.db2.gz ROCBZDBBIKJDBK-MRXNPFEDSA-N 0 1 295.430 3.775 20 0 CHADMN COCC1=CCN([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000360795201 1127512157 /nfs/dbraw/zinc/51/21/57/1127512157.db2.gz GFQFOMSVDBCUPK-MRXNPFEDSA-N 0 1 277.795 3.606 20 0 CHADMN CCc1noc(C)c1CN[C@H](CC)c1ccc(F)cc1 ZINC000293699050 1127513941 /nfs/dbraw/zinc/51/39/41/1127513941.db2.gz LXTHQJHUYAOVNB-OAHLLOKOSA-N 0 1 276.355 3.925 20 0 CHADMN CC[C@@H](NCc1ccccc1Cl)c1c(C)nn(C)c1C ZINC000360907158 1127519161 /nfs/dbraw/zinc/51/91/61/1127519161.db2.gz OSZXOESBXKBLCB-OAHLLOKOSA-N 0 1 291.826 3.931 20 0 CHADMN C[C@@H]1c2cccn2CCN1CCCc1ccsc1 ZINC000361021712 1127530555 /nfs/dbraw/zinc/53/05/55/1127530555.db2.gz XOKMSRDSWBSFPC-CYBMUJFWSA-N 0 1 260.406 3.559 20 0 CHADMN C[C@@H](C[S@@](C)=O)N(C)Cc1cccc(C2CCCC2)c1 ZINC000597083800 1127527074 /nfs/dbraw/zinc/52/70/74/1127527074.db2.gz ULJNAVQGTISVGM-VBKZILBWSA-N 0 1 293.476 3.543 20 0 CHADMN COc1cc([C@H](C)N[C@@H]2CCCc3ccc(O)cc32)ccn1 ZINC000361001333 1127528192 /nfs/dbraw/zinc/52/81/92/1127528192.db2.gz FEPUJNIWGUTMPL-YVEFUNNKSA-N 0 1 298.386 3.524 20 0 CHADMN CCN(Cc1cc(C(F)(F)F)ccc1F)C[C@H](C)OC ZINC000361021086 1127530634 /nfs/dbraw/zinc/53/06/34/1127530634.db2.gz DELLZNBWLQUXKA-JTQLQIEISA-N 0 1 293.304 3.701 20 0 CHADMN CCN(Cc1cnc(-c2ccc(C)o2)s1)C[C@@H](C)OC ZINC000361022727 1127530785 /nfs/dbraw/zinc/53/07/85/1127530785.db2.gz POLAHQZZFKCMBE-GFCCVEGCSA-N 0 1 294.420 3.568 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccsc1 ZINC000361142178 1127540749 /nfs/dbraw/zinc/54/07/49/1127540749.db2.gz PBFIHFLGBHBCIG-KOLCDFICSA-N 0 1 263.328 3.911 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccsc1 ZINC000361142180 1127541012 /nfs/dbraw/zinc/54/10/12/1127541012.db2.gz PBFIHFLGBHBCIG-ONGXEEELSA-N 0 1 263.328 3.911 20 0 CHADMN COc1ccc(F)cc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC000361147611 1127542427 /nfs/dbraw/zinc/54/24/27/1127542427.db2.gz UHYPCEJCXAMZEZ-MRXNPFEDSA-N 0 1 275.367 3.599 20 0 CHADMN Cc1nc([C@@H](C)NCCc2ccc3ccccc3n2)cs1 ZINC000361113336 1127538780 /nfs/dbraw/zinc/53/87/80/1127538780.db2.gz YKEIAEIMPMCUJU-GFCCVEGCSA-N 0 1 297.427 3.893 20 0 CHADMN C[C@@H](Nc1cc2c(cn1)CCCC2)c1ccc(F)cn1 ZINC000361180829 1127544617 /nfs/dbraw/zinc/54/46/17/1127544617.db2.gz UKZAVUGJZXQMHP-LLVKDONJSA-N 0 1 271.339 3.668 20 0 CHADMN Clc1ccc(C2(NCc3n[nH]c4ccccc43)CC2)cc1 ZINC000601775454 1127544706 /nfs/dbraw/zinc/54/47/06/1127544706.db2.gz ZWTYWLLBOLCEMZ-UHFFFAOYSA-N 0 1 297.789 3.995 20 0 CHADMN Clc1ccc(C2(NCc3[nH]nc4ccccc43)CC2)cc1 ZINC000601775454 1127544710 /nfs/dbraw/zinc/54/47/10/1127544710.db2.gz ZWTYWLLBOLCEMZ-UHFFFAOYSA-N 0 1 297.789 3.995 20 0 CHADMN COc1ccncc1CN[C@H](C)c1cc(C)c(C)cc1C ZINC000294057017 1127546231 /nfs/dbraw/zinc/54/62/31/1127546231.db2.gz GVYJECSLRDIFAK-OAHLLOKOSA-N 0 1 284.403 3.866 20 0 CHADMN CCCC[C@H](C)N(CCCC)C(=O)c1cnc(C)[nH]1 ZINC000294197266 1127557207 /nfs/dbraw/zinc/55/72/07/1127557207.db2.gz USPKRGPZTKDCGT-LBPRGKRZSA-N 0 1 265.401 3.539 20 0 CHADMN C[C@H]1CN(Cc2cncc(C(F)(F)F)c2)CC(C)(C)C1 ZINC000361348334 1127558384 /nfs/dbraw/zinc/55/83/84/1127558384.db2.gz JNBPNNWCCJCYCM-LLVKDONJSA-N 0 1 286.341 3.968 20 0 CHADMN CC[C@H](Cc1ccccc1)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000602112020 1127560486 /nfs/dbraw/zinc/56/04/86/1127560486.db2.gz UFNLHIDLGUZGMO-CQSZACIVSA-N 0 1 293.370 3.770 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@H]2CSc3ccccc32)cn1 ZINC000361400053 1127561478 /nfs/dbraw/zinc/56/14/78/1127561478.db2.gz LJDLDRLIUXZFGH-DOMZBBRYSA-N 0 1 287.432 3.962 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cnn(C(C)C)c2)cc1F ZINC000602285539 1127568572 /nfs/dbraw/zinc/56/85/72/1127568572.db2.gz DAHANNYLOCEVMH-ZDUSSCGKSA-N 0 1 275.371 3.762 20 0 CHADMN Cc1ccc(CN(CCO)Cc2cccc(C(F)F)c2)o1 ZINC000361519635 1127568849 /nfs/dbraw/zinc/56/88/49/1127568849.db2.gz OYSBEBSDCDTHJK-UHFFFAOYSA-N 0 1 295.329 3.520 20 0 CHADMN CC1=CC[C@@H](N[C@H](c2nccn2C)c2cccc(F)c2)CC1 ZINC000294383592 1127569319 /nfs/dbraw/zinc/56/93/19/1127569319.db2.gz UZCUENUQISQRRU-SJORKVTESA-N 0 1 299.393 3.737 20 0 CHADMN COc1ccncc1CN[C@H]1C[C@@H](C)c2c1cccc2C ZINC000294381272 1127569374 /nfs/dbraw/zinc/56/93/74/1127569374.db2.gz RLSLDPODFIOPPN-CJNGLKHVSA-N 0 1 282.387 3.737 20 0 CHADMN CCN(Cc1nc(-c2ccc(F)c(C)c2)no1)C1CCC1 ZINC000361528915 1127570047 /nfs/dbraw/zinc/57/00/47/1127570047.db2.gz BYDNZXZTBLFTKT-UHFFFAOYSA-N 0 1 289.354 3.559 20 0 CHADMN CC(C)C[C@H](N)c1noc(/C=C/c2ccc(Cl)cc2)n1 ZINC000361600597 1127575470 /nfs/dbraw/zinc/57/54/70/1127575470.db2.gz JWNWJUFKAZPSEL-LJLILKBBSA-N 0 1 291.782 3.939 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cc3ccccc3o2)n1 ZINC000361601874 1127576158 /nfs/dbraw/zinc/57/61/58/1127576158.db2.gz OVNJMLMABGSEMI-NSHDSACASA-N 0 1 271.320 3.529 20 0 CHADMN CC(C)c1nnc(CNCCC2CCCCC2)s1 ZINC000361581666 1127573391 /nfs/dbraw/zinc/57/33/91/1127573391.db2.gz HMGNKJMUNAMMTM-UHFFFAOYSA-N 0 1 267.442 3.722 20 0 CHADMN CCN(Cc1c[nH]c2ccccc12)Cc1cccc(OC)n1 ZINC000361611040 1127577314 /nfs/dbraw/zinc/57/73/14/1127577314.db2.gz OVZFGNSQNMZBTI-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN CCc1nc(C(C)C)ccc1CN[C@H](CO)c1ccccc1 ZINC000294480546 1127577370 /nfs/dbraw/zinc/57/73/70/1127577370.db2.gz HHKYMCPWDLKGHP-LJQANCHMSA-N 0 1 298.430 3.591 20 0 CHADMN Cc1cnccc1CN1CCc2sccc2[C@H]1C ZINC000294544944 1127581879 /nfs/dbraw/zinc/58/18/79/1127581879.db2.gz JKOFFHPEFJDJOD-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN Clc1ccc2c(c1)CCN(Cc1cccc3c[nH]nc31)C2 ZINC000361725319 1127584655 /nfs/dbraw/zinc/58/46/55/1127584655.db2.gz FTBSWXWISPJYIN-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN COCc1cnc(CNCCC2=CCCCCC2)s1 ZINC000361742730 1127585957 /nfs/dbraw/zinc/58/59/57/1127585957.db2.gz KJNLMVFKUXJALH-UHFFFAOYSA-N 0 1 280.437 3.660 20 0 CHADMN CSc1ccc(F)cc1CN[C@H](C)c1cncs1 ZINC000361806175 1127590026 /nfs/dbraw/zinc/59/00/26/1127590026.db2.gz YVOFSNMTCUIBSV-SECBINFHSA-N 0 1 282.409 3.855 20 0 CHADMN CSc1ccc(F)cc1CN[C@@H](C)c1cncc(F)c1 ZINC000361805286 1127590135 /nfs/dbraw/zinc/59/01/35/1127590135.db2.gz SHVFSMUVTCMXMI-JTQLQIEISA-N 0 1 294.370 3.933 20 0 CHADMN Cc1cc(CN2CCC(C(=O)OC(C)(C)C)CC2)cs1 ZINC000294682443 1127591715 /nfs/dbraw/zinc/59/17/15/1127591715.db2.gz DFSFRCZJFKPAHE-UHFFFAOYSA-N 0 1 295.448 3.610 20 0 CHADMN Cc1nnc([C@H](C)NCC2(c3ccccc3)CCCCC2)o1 ZINC000602563214 1127593087 /nfs/dbraw/zinc/59/30/87/1127593087.db2.gz SPOKNDBRNHWOGH-AWEZNQCLSA-N 0 1 299.418 3.931 20 0 CHADMN C[C@@H](NCc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC000294721824 1127594101 /nfs/dbraw/zinc/59/41/01/1127594101.db2.gz FMTJIQMEDDGKQN-LLVKDONJSA-N 0 1 280.293 3.951 20 0 CHADMN CC(C)O[C@@H]1C[C@@H](NCc2ncc(C(C)C)s2)C1(C)C ZINC000361913685 1127598749 /nfs/dbraw/zinc/59/87/49/1127598749.db2.gz KTLUIXAFNHGXLF-ZIAGYGMSSA-N 0 1 296.480 3.948 20 0 CHADMN CC(=O)c1cccc(CN(C)Cc2cccc(N(C)C)c2)c1 ZINC000294874136 1127605406 /nfs/dbraw/zinc/60/54/06/1127605406.db2.gz DNBLVXAXOXHQKM-UHFFFAOYSA-N 0 1 296.414 3.587 20 0 CHADMN CSC1CCN(C/C=C\c2ccc(F)cc2F)CC1 ZINC000602726263 1127609414 /nfs/dbraw/zinc/60/94/14/1127609414.db2.gz PJCPUDFOJYNURE-IHWYPQMZSA-N 0 1 283.387 3.805 20 0 CHADMN CC(C)CCC[C@@H](C)NCc1ncc(C(F)(F)F)cn1 ZINC000294954488 1127610252 /nfs/dbraw/zinc/61/02/52/1127610252.db2.gz HWVOUJHJYWLLAC-LLVKDONJSA-N 0 1 289.345 3.800 20 0 CHADMN Cc1cccnc1[C@H](NCc1ccncc1C)C(C)C ZINC000294944438 1127610354 /nfs/dbraw/zinc/61/03/54/1127610354.db2.gz BVANCURAOHYJSZ-MRXNPFEDSA-N 0 1 269.392 3.580 20 0 CHADMN CCc1cccc2c1OCC[C@H]2NCc1ccncc1C ZINC000294968929 1127610785 /nfs/dbraw/zinc/61/07/85/1127610785.db2.gz GFPDUPPNKGWHCO-QGZVFWFLSA-N 0 1 282.387 3.566 20 0 CHADMN C[C@H](CC(C)(C)O)NCc1csc(-c2cccs2)n1 ZINC000295033281 1127615902 /nfs/dbraw/zinc/61/59/02/1127615902.db2.gz LXUNUYHMFLBAAQ-SNVBAGLBSA-N 0 1 296.461 3.511 20 0 CHADMN CCCc1nc(CN(CCOC)[C@H]2CC[C@H](C)C2)cs1 ZINC000362153822 1127615995 /nfs/dbraw/zinc/61/59/95/1127615995.db2.gz GDPAPKSXLOPDKT-ZFWWWQNUSA-N 0 1 296.480 3.733 20 0 CHADMN Fc1ccc(C2CC2)cc1CNCc1cnn2ccccc12 ZINC000295054570 1127617565 /nfs/dbraw/zinc/61/75/65/1127617565.db2.gz GBGZAEVRVQNREU-UHFFFAOYSA-N 0 1 295.361 3.641 20 0 CHADMN Cc1ccncc1CN1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000294988201 1127612735 /nfs/dbraw/zinc/61/27/35/1127612735.db2.gz KKHAAFHXEDKYEF-AAEUAGOBSA-N 0 1 272.314 3.553 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cnn(C(C)(C)C)c2)c2ccccc2O1 ZINC000295027206 1127614890 /nfs/dbraw/zinc/61/48/90/1127614890.db2.gz LHPCNKDOHLZSII-CZUORRHYSA-N 0 1 299.418 3.640 20 0 CHADMN FCC1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000295074806 1127618707 /nfs/dbraw/zinc/61/87/07/1127618707.db2.gz DIXXAZCKLDVMRF-UHFFFAOYSA-N 0 1 274.339 3.523 20 0 CHADMN COc1cccc(CN[C@@H]2C[C@@H](C)Oc3ccccc32)c1 ZINC000295097501 1127619743 /nfs/dbraw/zinc/61/97/43/1127619743.db2.gz SHKSXVHPLWUSKP-CXAGYDPISA-N 0 1 283.371 3.697 20 0 CHADMN C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccsc1 ZINC000295117424 1127620929 /nfs/dbraw/zinc/62/09/29/1127620929.db2.gz WWYCEJDEGCUTSL-KOLCDFICSA-N 0 1 263.328 3.911 20 0 CHADMN CCC[C@H](CNCc1csc(-c2cccs2)n1)OC ZINC000295122781 1127622235 /nfs/dbraw/zinc/62/22/35/1127622235.db2.gz NMLBCPXKEBPVPO-GFCCVEGCSA-N 0 1 296.461 3.776 20 0 CHADMN CSC1CCN([C@H](C)c2nc3ccccc3o2)CC1 ZINC000602923723 1127622386 /nfs/dbraw/zinc/62/23/86/1127622386.db2.gz VKNIJBAYMABJIP-LLVKDONJSA-N 0 1 276.405 3.716 20 0 CHADMN C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1cccc(O)c1 ZINC000295141404 1127622790 /nfs/dbraw/zinc/62/27/90/1127622790.db2.gz ZVEXIVMAFYRZJU-JQWIXIFHSA-N 0 1 273.298 3.555 20 0 CHADMN CCC[C@@H](CNCc1csc(-c2ccsc2)n1)OC ZINC000295139139 1127622983 /nfs/dbraw/zinc/62/29/83/1127622983.db2.gz POZFBERSVONJJC-ZDUSSCGKSA-N 0 1 296.461 3.776 20 0 CHADMN CC(C)N(Cc1cnn(CC(F)F)c1)Cc1cccs1 ZINC000295228099 1127628487 /nfs/dbraw/zinc/62/84/87/1127628487.db2.gz CKXOMVJDLPXCPJ-UHFFFAOYSA-N 0 1 299.390 3.620 20 0 CHADMN Cc1cc(C)c(CN[C@@H]2C[C@@H](C)n3ccnc32)c(C)c1 ZINC000295234489 1127629279 /nfs/dbraw/zinc/62/92/79/1127629279.db2.gz OGXKEXQSRWGWNA-GDBMZVCRSA-N 0 1 269.392 3.604 20 0 CHADMN Cc1cc(C)c(CN[C@@H]2C[C@H](C)n3ccnc32)c(C)c1 ZINC000295234490 1127629374 /nfs/dbraw/zinc/62/93/74/1127629374.db2.gz OGXKEXQSRWGWNA-GOEBONIOSA-N 0 1 269.392 3.604 20 0 CHADMN S=c1ncccn1CN(CC1CCCCC1)C1CC1 ZINC000170638178 1127631109 /nfs/dbraw/zinc/63/11/09/1127631109.db2.gz QMQOTBGCCGJIRO-UHFFFAOYSA-N 0 1 277.437 3.615 20 0 CHADMN CC(C)(O)c1ccc(CNC2(c3ccccc3F)CC2)cc1 ZINC000295307437 1127633816 /nfs/dbraw/zinc/63/38/16/1127633816.db2.gz FSLXSJSCOKOBEE-UHFFFAOYSA-N 0 1 299.389 3.832 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1C[C@H](C)CC[C@H]1C ZINC000362421221 1127634561 /nfs/dbraw/zinc/63/45/61/1127634561.db2.gz RCNKUIYHZDEFRA-CHWSQXEVSA-N 0 1 289.398 3.816 20 0 CHADMN Clc1ccccc1[C@H]1CCN(Cc2ccns2)C1 ZINC001232192224 1127635225 /nfs/dbraw/zinc/63/52/25/1127635225.db2.gz YDGVFWXRRKXXQV-NSHDSACASA-N 0 1 278.808 3.786 20 0 CHADMN CCC1(CC)CCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC000362447808 1127636347 /nfs/dbraw/zinc/63/63/47/1127636347.db2.gz QKGMUSDFHMGDTD-UHFFFAOYSA-N 0 1 285.391 3.605 20 0 CHADMN CCS[C@H]1CCC[C@H]1NCc1csc(Cl)n1 ZINC000295353427 1127636961 /nfs/dbraw/zinc/63/69/61/1127636961.db2.gz QZQZRUXLZCZLJB-ZJUUUORDSA-N 0 1 276.858 3.560 20 0 CHADMN Cc1cccnc1CN[C@@H](C)c1ccc2ncsc2c1 ZINC000362516433 1127641747 /nfs/dbraw/zinc/64/17/47/1127641747.db2.gz PMUHMBWQNNDWQH-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cccc(C3CC3)c2)nc1 ZINC000295424047 1127642802 /nfs/dbraw/zinc/64/28/02/1127642802.db2.gz NPBAYPMWNYWICV-ZDUSSCGKSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1nnc([C@H](C)NC[C@H](C)c2cc(F)cc(F)c2)s1 ZINC000295507126 1127644997 /nfs/dbraw/zinc/64/49/97/1127644997.db2.gz UOQXHKYJXJBTPL-IUCAKERBSA-N 0 1 297.374 3.579 20 0 CHADMN CSCc1cnc(CN[C@H]2CC23CCCCC3)s1 ZINC000598983842 1127649871 /nfs/dbraw/zinc/64/98/71/1127649871.db2.gz WXLPIHACKPZLKF-LBPRGKRZSA-N 0 1 282.478 3.819 20 0 CHADMN Cc1ccc([C@H](N[C@@H]2C[C@@H](C)O[C@@H]2C)c2ccccn2)cc1 ZINC000295738323 1127651875 /nfs/dbraw/zinc/65/18/75/1127651875.db2.gz PMZHTWWLWGELJP-RGCFKVTRSA-N 0 1 296.414 3.635 20 0 CHADMN Cc1cc(CNC(=O)c2ccc(C3CCCCC3)cc2)n[nH]1 ZINC000603484794 1127652412 /nfs/dbraw/zinc/65/24/12/1127652412.db2.gz DTXQURQDCZORGT-UHFFFAOYSA-N 0 1 297.402 3.696 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cccc(OC)c1F ZINC000669684174 1127652884 /nfs/dbraw/zinc/65/28/84/1127652884.db2.gz DDZKDKNDKVSWIW-LBPRGKRZSA-N 0 1 288.366 3.643 20 0 CHADMN CC(=O)Nc1cccc(CN[C@H](C)c2csc(C)c2)c1 ZINC000295828869 1127654412 /nfs/dbraw/zinc/65/44/12/1127654412.db2.gz DTTIZBPOANQHRT-GFCCVEGCSA-N 0 1 288.416 3.866 20 0 CHADMN CC[C@@H](NCc1ccncc1C)c1cc(F)ccc1F ZINC000295822458 1127654446 /nfs/dbraw/zinc/65/44/46/1127654446.db2.gz UVJXYZDCWANTAN-MRXNPFEDSA-N 0 1 276.330 3.909 20 0 CHADMN Cc1cscc1NS(=O)(=O)c1ccc(C2CC2)cc1 ZINC000296043233 1127661096 /nfs/dbraw/zinc/66/10/96/1127661096.db2.gz SVLKYDUSHONFSY-UHFFFAOYSA-N 0 1 293.413 3.735 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3CC(F)(F)F)[nH]c2c1 ZINC000296080880 1127662639 /nfs/dbraw/zinc/66/26/39/1127662639.db2.gz VYMILSYMBYNTKR-LBPRGKRZSA-N 0 1 283.297 3.571 20 0 CHADMN Cc1ccncc1CN[C@H]1CCCc2c(F)cc(F)cc21 ZINC000296149211 1127663590 /nfs/dbraw/zinc/66/35/90/1127663590.db2.gz VTMSPXZUKNILIZ-KRWDZBQOSA-N 0 1 288.341 3.835 20 0 CHADMN CC(C)c1nc(CN[C@@H]2CC[C@H](C)c3ccccc32)n[nH]1 ZINC000296399787 1127670976 /nfs/dbraw/zinc/67/09/76/1127670976.db2.gz KLNGEZPDJDBZQT-SWLSCSKDSA-N 0 1 284.407 3.656 20 0 CHADMN CCC[C@H](NCc1n[nH]c(C(C)C)n1)c1ccsc1 ZINC000296419289 1127671529 /nfs/dbraw/zinc/67/15/29/1127671529.db2.gz LGNXUMIKVXEBJR-LBPRGKRZSA-N 0 1 278.425 3.621 20 0 CHADMN FC(F)(F)[C@@H]1C[C@@H](Nc2ccc3cnccc3c2)CCO1 ZINC000296585656 1127676905 /nfs/dbraw/zinc/67/69/05/1127676905.db2.gz QBKFNIVOANOIRW-KBPBESRZSA-N 0 1 296.292 3.757 20 0 CHADMN FC(F)(F)c1cc(CN[C@H]2CCCc3occc32)ccn1 ZINC000296576546 1127677163 /nfs/dbraw/zinc/67/71/63/1127677163.db2.gz TZSZQFRVECUEPF-LBPRGKRZSA-N 0 1 296.292 3.861 20 0 CHADMN CC(=O)c1ccc(CN2CCC[C@@H]2c2cccn2C)cc1 ZINC000296710373 1127681585 /nfs/dbraw/zinc/68/15/85/1127681585.db2.gz GKYLYOCKYLUSES-GOSISDBHSA-N 0 1 282.387 3.565 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)cs1 ZINC000296760051 1127682346 /nfs/dbraw/zinc/68/23/46/1127682346.db2.gz KBWPHMNNHLFWAO-WDEREUQCSA-N 0 1 278.425 3.710 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cn2ccccc2n1 ZINC000603942494 1127684167 /nfs/dbraw/zinc/68/41/67/1127684167.db2.gz SFBDARZRXISYRW-SFHVURJKSA-N 0 1 291.398 3.844 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCCCC[C@H]2C)n1 ZINC000603942336 1127684180 /nfs/dbraw/zinc/68/41/80/1127684180.db2.gz AAMIVRLBQWIHDF-CQSZACIVSA-N 0 1 285.391 3.810 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1Cc1nc(C2CC2)no1 ZINC000296640535 1127680023 /nfs/dbraw/zinc/68/00/23/1127680023.db2.gz IIQLTTUMUMNACC-WWGRRREGSA-N 0 1 297.402 3.714 20 0 CHADMN C[C@@H](NCc1ccnc(C(F)(F)F)c1)c1cccc(O)c1 ZINC000296647614 1127680063 /nfs/dbraw/zinc/68/00/63/1127680063.db2.gz YQBSVWZEHQVRNV-SNVBAGLBSA-N 0 1 296.292 3.657 20 0 CHADMN CC(C)Cc1cccc([C@H](C)NCc2n[nH]c(C3CC3)n2)c1 ZINC000296661257 1127680659 /nfs/dbraw/zinc/68/06/59/1127680659.db2.gz ZTWMBROCKLRKDG-ZDUSSCGKSA-N 0 1 298.434 3.731 20 0 CHADMN COC(=O)C1C[C@H](C)N(Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000599688596 1127687349 /nfs/dbraw/zinc/68/73/49/1127687349.db2.gz FPKHLEURKASFIA-RYUDHWBXSA-N 0 1 295.810 3.502 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H]2CC(C)(C)c3ccccc32)c2nccn21 ZINC000297135218 1127689114 /nfs/dbraw/zinc/68/91/14/1127689114.db2.gz ZEZKNLDUJYNDKR-UHOFOFEASA-N 0 1 281.403 3.901 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000297149737 1127689558 /nfs/dbraw/zinc/68/95/58/1127689558.db2.gz OGHINBHETKSYDG-NQMVMOMDSA-N 0 1 285.338 3.667 20 0 CHADMN CC(F)(F)CCCN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000297392316 1127695583 /nfs/dbraw/zinc/69/55/83/1127695583.db2.gz RYALAJQOTUJABY-CYBMUJFWSA-N 0 1 279.334 3.524 20 0 CHADMN CC(F)(F)CCCN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000297392319 1127695655 /nfs/dbraw/zinc/69/56/55/1127695655.db2.gz RYALAJQOTUJABY-ZDUSSCGKSA-N 0 1 279.334 3.524 20 0 CHADMN CC(C)c1ccc(O[C@@H](C)CN[C@H]2CCn3ccnc32)cc1 ZINC000297468883 1127696770 /nfs/dbraw/zinc/69/67/70/1127696770.db2.gz YLTAOXFHNWPNLD-YOEHRIQHSA-N 0 1 299.418 3.508 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2cn(C)nc2C)cs1 ZINC000297551233 1127699407 /nfs/dbraw/zinc/69/94/07/1127699407.db2.gz FPFPXXABTCHIDZ-MNOVXSKESA-N 0 1 263.410 3.510 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H]2C[C@@H](C)n3ccnc32)c1C ZINC000297526670 1127698528 /nfs/dbraw/zinc/69/85/28/1127698528.db2.gz DHUHMNGGXPBRPW-IVMMDQJWSA-N 0 1 269.392 3.857 20 0 CHADMN C[C@H](CN[C@@H]1C[C@@H](C)n2ccnc21)Sc1ccccc1 ZINC000297524155 1127698583 /nfs/dbraw/zinc/69/85/83/1127698583.db2.gz DFGKTBHRVZYDCW-UMVBOHGHSA-N 0 1 287.432 3.659 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H](C)c1cccc(C)c1C ZINC000297592662 1127700749 /nfs/dbraw/zinc/70/07/49/1127700749.db2.gz HSMTYMDCJFJLRH-CABCVRRESA-N 0 1 271.408 3.932 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H]1CCc2cc(C)ccc21 ZINC000297619685 1127701814 /nfs/dbraw/zinc/70/18/14/1127701814.db2.gz IWAXYEMYSNECFU-CJNGLKHVSA-N 0 1 269.392 3.550 20 0 CHADMN CC[C@H](NCc1ccncc1C)c1ccccc1OC ZINC000229658248 1127702545 /nfs/dbraw/zinc/70/25/45/1127702545.db2.gz DGGLXWAGBURUOX-INIZCTEOSA-N 0 1 270.376 3.640 20 0 CHADMN Cc1oncc1C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000364628154 1127707181 /nfs/dbraw/zinc/70/71/81/1127707181.db2.gz FEVIVUYXOXCVQJ-OAGJVSPASA-N 0 1 268.360 3.661 20 0 CHADMN Cc1oncc1CN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000364628154 1127707185 /nfs/dbraw/zinc/70/71/85/1127707185.db2.gz FEVIVUYXOXCVQJ-OAGJVSPASA-N 0 1 268.360 3.661 20 0 CHADMN CCC[C@@H](N)c1cc(-c2ccccc2Br)no1 ZINC000229873815 1127711777 /nfs/dbraw/zinc/71/17/77/1127711777.db2.gz ALEDXKGHUNLCLV-LLVKDONJSA-N 0 1 295.180 3.904 20 0 CHADMN C[C@@H](CSc1nc(-c2cccnc2)n[nH]1)c1ccccc1 ZINC000604839747 1127717846 /nfs/dbraw/zinc/71/78/46/1127717846.db2.gz IOQXTWBOCQIAGX-LBPRGKRZSA-N 0 1 296.399 3.763 20 0 CHADMN Cn1nc(CNC(C)(C)c2cccs2)c2ccccc21 ZINC000604892006 1127719035 /nfs/dbraw/zinc/71/90/35/1127719035.db2.gz IZCSWQXMSBXJTR-UHFFFAOYSA-N 0 1 285.416 3.660 20 0 CHADMN c1[nH]c(CN2CCC(C3CC3)CC2)nc1-c1ccccc1 ZINC001118882028 1131240829 /nfs/dbraw/zinc/24/08/29/1131240829.db2.gz KMROWAPYRHSXMU-UHFFFAOYSA-N 0 1 281.403 3.699 20 0 CHADMN c1ccc(-c2n[nH]c(SCC3CCCCC3)n2)nc1 ZINC000604932856 1127721109 /nfs/dbraw/zinc/72/11/09/1127721109.db2.gz TURYDNROYFLDHT-UHFFFAOYSA-N 0 1 274.393 3.539 20 0 CHADMN Clc1ccc(CN2CCC(c3ccncn3)CC2)s1 ZINC000298432964 1127723183 /nfs/dbraw/zinc/72/31/83/1127723183.db2.gz QGULKOWMPOITRW-UHFFFAOYSA-N 0 1 293.823 3.571 20 0 CHADMN CC[C@H]1CCCN(CC(=O)Nc2ccc(C)cc2C)CC1 ZINC000604999202 1127725276 /nfs/dbraw/zinc/72/52/76/1127725276.db2.gz VHVLXGAWESGWDE-INIZCTEOSA-N 0 1 288.435 3.754 20 0 CHADMN C[C@@H]1CC2(CCC2)CN1Cc1csc(C2CC2)n1 ZINC000365445406 1127729654 /nfs/dbraw/zinc/72/96/54/1127729654.db2.gz VVDOVHJTBFMACZ-LLVKDONJSA-N 0 1 262.422 3.785 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)N[C@@H](C)C3CC3)n2)ccc1F ZINC000298857118 1127734765 /nfs/dbraw/zinc/73/47/65/1127734765.db2.gz FQVMYSSSPOENLM-WDEREUQCSA-N 0 1 289.354 3.633 20 0 CHADMN COc1ccc2c(c1)OCC[C@@H]2N[C@H]1CCCc2occc21 ZINC000365733748 1127737774 /nfs/dbraw/zinc/73/77/74/1127737774.db2.gz IPGSNNMUJUIUEF-HOTGVXAUSA-N 0 1 299.370 3.779 20 0 CHADMN Clc1ncccc1CN1CCC12CCCCC2 ZINC000365820401 1127740832 /nfs/dbraw/zinc/74/08/32/1127740832.db2.gz XBBKWBFSHKQQIK-UHFFFAOYSA-N 0 1 250.773 3.644 20 0 CHADMN CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1cnc[nH]1 ZINC000605661065 1127746087 /nfs/dbraw/zinc/74/60/87/1127746087.db2.gz SVZHENMBSWEUNQ-MRXNPFEDSA-N 0 1 299.418 3.673 20 0 CHADMN CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)c1cnc[nH]1 ZINC000605661061 1127746112 /nfs/dbraw/zinc/74/61/12/1127746112.db2.gz SVZHENMBSWEUNQ-INIZCTEOSA-N 0 1 299.418 3.673 20 0 CHADMN Fc1ccc(-c2cnc(CN3CCC4(CC4)CC3)o2)cc1 ZINC000368423525 1127758018 /nfs/dbraw/zinc/75/80/18/1127758018.db2.gz CWMFZWNDEUFGEP-UHFFFAOYSA-N 0 1 286.350 3.857 20 0 CHADMN [O-]c1c(Cl)ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1Cl ZINC001232624402 1127761223 /nfs/dbraw/zinc/76/12/23/1127761223.db2.gz OTLKVQSEOJWESZ-AOOOYVTPSA-N 0 1 286.202 3.931 20 0 CHADMN CCN(CC(=O)Nc1ccccc1C(C)(C)C)C1CCC1 ZINC000606434547 1127763368 /nfs/dbraw/zinc/76/33/68/1127763368.db2.gz QPXCMYHKSWIYSE-UHFFFAOYSA-N 0 1 288.435 3.797 20 0 CHADMN CCO[C@H](C)c1nc(CN2CC[C@@H](C(C)C)C2)cs1 ZINC000409445722 1127767078 /nfs/dbraw/zinc/76/70/78/1127767078.db2.gz QOBWIEATMYEZGF-CHWSQXEVSA-N 0 1 282.453 3.719 20 0 CHADMN C[C@H]1CC(C)(C)C[N@H+]1[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001326503050 1127764930 /nfs/dbraw/zinc/76/49/30/1127764930.db2.gz RZXFTKJJEMPVLK-GXFFZTMASA-N 0 1 281.783 3.586 20 0 CHADMN COc1c(C)cnc(CN2C[C@@H](C)[C@@H]2c2ccccc2)c1C ZINC000409447101 1127768705 /nfs/dbraw/zinc/76/87/05/1127768705.db2.gz QLIMMZWGLFYSQH-RDTXWAMCSA-N 0 1 296.414 3.900 20 0 CHADMN CCC(CC)CN1CCO[C@H](c2cccc(OC)c2)C1 ZINC000409446316 1127769713 /nfs/dbraw/zinc/76/97/13/1127769713.db2.gz FONGMQRDVFXSSA-KRWDZBQOSA-N 0 1 277.408 3.505 20 0 CHADMN CO[C@H]1CCCN(c2cc(C)nc3ccc(F)cc32)CC1 ZINC000371736993 1127777334 /nfs/dbraw/zinc/77/73/34/1127777334.db2.gz QMLWDORQIDGWMI-AWEZNQCLSA-N 0 1 288.366 3.688 20 0 CHADMN CC[C@@H]1CCCCCN1Cc1noc(-c2ccccc2)n1 ZINC000606900788 1127781394 /nfs/dbraw/zinc/78/13/94/1127781394.db2.gz OSCDHLGQNHHEEW-OAHLLOKOSA-N 0 1 285.391 3.891 20 0 CHADMN COc1cccc2c1OCC[C@H]2N[C@H](C)c1cncc(C)c1 ZINC000372106579 1127787818 /nfs/dbraw/zinc/78/78/18/1127787818.db2.gz AHCMODCQJIIZCJ-CZUORRHYSA-N 0 1 298.386 3.573 20 0 CHADMN COc1cccc2c1OCC[C@@H]2N[C@@H](C)c1cncc(C)c1 ZINC000372106577 1127787848 /nfs/dbraw/zinc/78/78/48/1127787848.db2.gz AHCMODCQJIIZCJ-BBRMVZONSA-N 0 1 298.386 3.573 20 0 CHADMN C[C@@H]1CN(Cn2cccnc2=S)CC[C@@H]1c1ccccc1 ZINC000172937223 1127796227 /nfs/dbraw/zinc/79/62/27/1127796227.db2.gz XFKOUXSXDHLBNV-ZBFHGGJFSA-N 0 1 299.443 3.696 20 0 CHADMN CCCCc1nc(CN2C[C@@H](C)C[C@@H]2C)cs1 ZINC000607155463 1127796719 /nfs/dbraw/zinc/79/67/19/1127796719.db2.gz AOZMPELMMQKEGY-RYUDHWBXSA-N 0 1 252.427 3.716 20 0 CHADMN C[C@H]1CN(CC(=O)Nc2cccc(Cl)c2)CC(C)(C)C1 ZINC001168423062 1127810031 /nfs/dbraw/zinc/81/00/31/1127810031.db2.gz DCHSFHWIYJZOJR-GFCCVEGCSA-N 0 1 294.826 3.647 20 0 CHADMN CCS[C@H]1CCCC[N@@H+](Cc2ccnn2C(C)C)C1 ZINC000372973693 1127818927 /nfs/dbraw/zinc/81/89/27/1127818927.db2.gz LREMRGRAZHQVOF-HNNXBMFYSA-N 0 1 281.469 3.572 20 0 CHADMN S=c1[nH]ccn1C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000173312201 1127819392 /nfs/dbraw/zinc/81/93/92/1127819392.db2.gz HIBOJIBBCZZZLB-HNNXBMFYSA-N 0 1 287.432 3.600 20 0 CHADMN C[N@H+](Cc1ccon1)CC1CCC(C(C)(C)C)CC1 ZINC000607735481 1127821565 /nfs/dbraw/zinc/82/15/65/1127821565.db2.gz ZGUBHIUYRJDIBB-UHFFFAOYSA-N 0 1 264.413 3.959 20 0 CHADMN CN(Cc1ccon1)CC1CCC(C(C)(C)C)CC1 ZINC000607735481 1127821571 /nfs/dbraw/zinc/82/15/71/1127821571.db2.gz ZGUBHIUYRJDIBB-UHFFFAOYSA-N 0 1 264.413 3.959 20 0 CHADMN CC[N@H+](Cc1cc(Cl)ccc1Cl)C[C@H]1CCCO1 ZINC000607732762 1127821638 /nfs/dbraw/zinc/82/16/38/1127821638.db2.gz AMDJCFDKYFXYMK-CYBMUJFWSA-N 0 1 288.218 3.994 20 0 CHADMN CCN(Cc1cc(Cl)ccc1Cl)C[C@H]1CCCO1 ZINC000607732762 1127821644 /nfs/dbraw/zinc/82/16/44/1127821644.db2.gz AMDJCFDKYFXYMK-CYBMUJFWSA-N 0 1 288.218 3.994 20 0 CHADMN Cc1ccc([C@H]2CSCCN2CCOCC2CC2)cc1 ZINC000607734872 1127822040 /nfs/dbraw/zinc/82/20/40/1127822040.db2.gz VLQRFODDHFCWFR-QGZVFWFLSA-N 0 1 291.460 3.512 20 0 CHADMN Cc1ccccc1CN1CCO[C@H](c2ccccc2C)C1 ZINC000607745703 1127822572 /nfs/dbraw/zinc/82/25/72/1127822572.db2.gz ZHQKUNFBVLWYJB-IBGZPJMESA-N 0 1 281.399 3.877 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1cc2cccc(F)c2o1 ZINC000607894705 1127837875 /nfs/dbraw/zinc/83/78/75/1127837875.db2.gz HQIWSOKBVVLEBM-UHFFFAOYSA-N 0 1 295.273 3.701 20 0 CHADMN CCc1ccc([C@@H](COC)NC/C=C\c2ccccc2)o1 ZINC000608060492 1127842159 /nfs/dbraw/zinc/84/21/59/1127842159.db2.gz FCRHMSRHRQFPCK-CGQZWFTASA-N 0 1 285.387 3.833 20 0 CHADMN CCCc1cccc(C[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000373450637 1127844099 /nfs/dbraw/zinc/84/40/99/1127844099.db2.gz BGVLUVIJSDYRFV-INIZCTEOSA-N 0 1 269.392 3.529 20 0 CHADMN CCCc1cccc(CN[C@H]2CCCc3c[nH]nc32)c1 ZINC000373450637 1127844103 /nfs/dbraw/zinc/84/41/03/1127844103.db2.gz BGVLUVIJSDYRFV-INIZCTEOSA-N 0 1 269.392 3.529 20 0 CHADMN C[N@@H+](CCC1(O)CCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000411153123 1127844138 /nfs/dbraw/zinc/84/41/38/1127844138.db2.gz HUDWDYLVEXJSQQ-UHFFFAOYSA-N 0 1 288.218 3.730 20 0 CHADMN Cc1occc1CNCc1ccc(OCC(F)F)cc1 ZINC000608054599 1127845096 /nfs/dbraw/zinc/84/50/96/1127845096.db2.gz ABJVQHLCDUFRDR-UHFFFAOYSA-N 0 1 281.302 3.522 20 0 CHADMN CCC[N@@H+](CC1CCCCC1)[C@@H](C)c1noc(C)n1 ZINC000411182014 1127845589 /nfs/dbraw/zinc/84/55/89/1127845589.db2.gz BGMPRYQRDRSUKY-LBPRGKRZSA-N 0 1 265.401 3.731 20 0 CHADMN CCCN(CC1CCCCC1)[C@@H](C)c1noc(C)n1 ZINC000411182014 1127845592 /nfs/dbraw/zinc/84/55/92/1127845592.db2.gz BGMPRYQRDRSUKY-LBPRGKRZSA-N 0 1 265.401 3.731 20 0 CHADMN CC[C@H](NCc1cc(C)ccc1OC)c1ccncc1 ZINC000608058246 1127846324 /nfs/dbraw/zinc/84/63/24/1127846324.db2.gz HWQUUDYCIVFNOM-INIZCTEOSA-N 0 1 270.376 3.640 20 0 CHADMN Cc1ccoc1CNC1(c2ccc(F)cc2)CCC1 ZINC000608055274 1127846505 /nfs/dbraw/zinc/84/65/05/1127846505.db2.gz RRXZNGWTUUPTJU-UHFFFAOYSA-N 0 1 259.324 3.896 20 0 CHADMN CCCN(CC1CCCCC1)[C@H](C)c1csnn1 ZINC000411197497 1127847453 /nfs/dbraw/zinc/84/74/53/1127847453.db2.gz YDASGZNGIATPND-GFCCVEGCSA-N 0 1 267.442 3.891 20 0 CHADMN Cc1nccc(CN2C[C@@H](C)C[C@@H]2c2cccc(F)c2)n1 ZINC000373519023 1127847929 /nfs/dbraw/zinc/84/79/29/1127847929.db2.gz ILHWZEVGEXOVMU-YVEFUNNKSA-N 0 1 285.366 3.507 20 0 CHADMN C(=C\c1ccccc1)\CN(Cc1ccncc1)C1CC1 ZINC000411406741 1127858363 /nfs/dbraw/zinc/85/83/63/1127858363.db2.gz DCIUODRZHMEVLK-DAXSKMNVSA-N 0 1 264.372 3.759 20 0 CHADMN CC[C@H](N[C@@H](C)c1n[nH]c(C)n1)c1ccc(Cl)s1 ZINC000411510257 1127862252 /nfs/dbraw/zinc/86/22/52/1127862252.db2.gz FTUIIUCQJHNRDY-CBAPKCEASA-N 0 1 284.816 3.630 20 0 CHADMN CC[C@H](CN(CC)[C@@H](C)c1nnc(C)[nH]1)c1ccccc1 ZINC000411560969 1127864565 /nfs/dbraw/zinc/86/45/65/1127864565.db2.gz QBGOGLMYDRWWKQ-DZGCQCFKSA-N 0 1 286.423 3.690 20 0 CHADMN CCCN(CCc1cccs1)[C@H](C)c1nnc(C)s1 ZINC000411559477 1127865670 /nfs/dbraw/zinc/86/56/70/1127865670.db2.gz XMZDDUINCHFVNG-LLVKDONJSA-N 0 1 295.477 3.924 20 0 CHADMN CCCN(CCc1cccs1)[C@@H](C)c1nnc(C)s1 ZINC000411559478 1127866143 /nfs/dbraw/zinc/86/61/43/1127866143.db2.gz XMZDDUINCHFVNG-NSHDSACASA-N 0 1 295.477 3.924 20 0 CHADMN CCCCc1noc([C@@H](C)N2CC[C@@H](c3ccco3)C2)n1 ZINC000374003649 1127868912 /nfs/dbraw/zinc/86/89/12/1127868912.db2.gz RPFCBTFPIMRCAE-CHWSQXEVSA-N 0 1 289.379 3.556 20 0 CHADMN CCCCc1noc([C@@H](C)N2CC[C@H](c3ccco3)C2)n1 ZINC000374003659 1127869015 /nfs/dbraw/zinc/86/90/15/1127869015.db2.gz RPFCBTFPIMRCAE-OLZOCXBDSA-N 0 1 289.379 3.556 20 0 CHADMN COc1cc(C)c(C)cc1CN1CCCC[C@@H](F)C1 ZINC001238760603 1131241435 /nfs/dbraw/zinc/24/14/35/1131241435.db2.gz WQZRCNWVHCCMTN-OAHLLOKOSA-N 0 1 265.372 3.636 20 0 CHADMN Cc1nc([C@H](C)N2CC3(CCCC3)[C@@H]2c2ccccc2)n[nH]1 ZINC000411812840 1127875898 /nfs/dbraw/zinc/87/58/98/1127875898.db2.gz AFLGKPGKSOHUOC-BBRMVZONSA-N 0 1 296.418 3.791 20 0 CHADMN CCC(C)(C)CCN(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000608561832 1127877294 /nfs/dbraw/zinc/87/72/94/1127877294.db2.gz ORWASQUQKGJRSK-UHFFFAOYSA-N 0 1 298.377 3.661 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1nc2ccccc2c(=O)[nH]1 ZINC000608566551 1127877321 /nfs/dbraw/zinc/87/73/21/1127877321.db2.gz KMWJFHQWKIBENL-XJKSGUPXSA-N 0 1 299.418 3.736 20 0 CHADMN O[C@@H]1C[C@@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1 ZINC000411956640 1127881646 /nfs/dbraw/zinc/88/16/46/1127881646.db2.gz WJAFUGKMWJZYOL-SJORKVTESA-N 0 1 287.790 3.648 20 0 CHADMN CCCCc1noc([C@H](C)N2CCC3(CCCC3)C2)n1 ZINC000174268300 1127884425 /nfs/dbraw/zinc/88/44/25/1127884425.db2.gz MFZGLUFFYYRKPQ-ZDUSSCGKSA-N 0 1 277.412 3.739 20 0 CHADMN CC[C@@H](F)CN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412011852 1127887166 /nfs/dbraw/zinc/88/71/66/1127887166.db2.gz LCVXIXVXTRRJAA-HZPDHXFCSA-N 0 1 277.383 3.588 20 0 CHADMN Fc1cc(CN2CCC(c3cn[nH]c3)CC2)ccc1Cl ZINC000374306043 1127888085 /nfs/dbraw/zinc/88/80/85/1127888085.db2.gz BFRXJAOBNCFVOG-UHFFFAOYSA-N 0 1 293.773 3.582 20 0 CHADMN CC(C)(C)C[C@H]1CC[N@@H+](Cc2cnns2)C1(C)C ZINC000412037215 1127890187 /nfs/dbraw/zinc/89/01/87/1127890187.db2.gz NGHIPEINXWFGPA-LLVKDONJSA-N 0 1 267.442 3.575 20 0 CHADMN CCC(=O)CCC[N@@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000412037325 1127890248 /nfs/dbraw/zinc/89/02/48/1127890248.db2.gz ICNCOSNFLNWUTB-UHFFFAOYSA-N 0 1 283.799 3.540 20 0 CHADMN C[C@@H]1CC(C)(C)C[N@H+]1Cc1nc2cc(F)ccc2o1 ZINC000412035646 1127890352 /nfs/dbraw/zinc/89/03/52/1127890352.db2.gz GETXDDPWJMKNDS-SNVBAGLBSA-N 0 1 262.328 3.587 20 0 CHADMN C[C@@H]1CC(C)(C)CN1Cc1nc2cc(F)ccc2o1 ZINC000412035646 1127890353 /nfs/dbraw/zinc/89/03/53/1127890353.db2.gz GETXDDPWJMKNDS-SNVBAGLBSA-N 0 1 262.328 3.587 20 0 CHADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1nc2cc(F)ccc2o1 ZINC000412035644 1127890569 /nfs/dbraw/zinc/89/05/69/1127890569.db2.gz GETXDDPWJMKNDS-JTQLQIEISA-N 0 1 262.328 3.587 20 0 CHADMN C[C@H]1CC(C)(C)CN1Cc1nc2cc(F)ccc2o1 ZINC000412035644 1127890574 /nfs/dbraw/zinc/89/05/74/1127890574.db2.gz GETXDDPWJMKNDS-JTQLQIEISA-N 0 1 262.328 3.587 20 0 CHADMN CCS[C@H]1CC[C@H](N(C)Cc2cccnc2Cl)C1 ZINC000174343237 1127890601 /nfs/dbraw/zinc/89/06/01/1127890601.db2.gz INNNJZJFFJXDSD-STQMWFEESA-N 0 1 284.856 3.841 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cc(Cl)sc1Cl ZINC000308352402 1127905006 /nfs/dbraw/zinc/90/50/06/1127905006.db2.gz DJHLMANYQYJAMT-SSDOTTSWSA-N 0 1 296.219 3.740 20 0 CHADMN CCOC(=O)c1ccsc1CN1CC[C@@H](C)C[C@H]1C ZINC001233020747 1127910440 /nfs/dbraw/zinc/91/04/40/1127910440.db2.gz QRSQFGYDHWXXNF-VXGBXAGGSA-N 0 1 281.421 3.545 20 0 CHADMN CC(C)Oc1ccccc1CNCc1cccc(F)c1 ZINC000035254845 1127907855 /nfs/dbraw/zinc/90/78/55/1127907855.db2.gz VXGZFUSMKJYNNI-UHFFFAOYSA-N 0 1 273.351 3.903 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2ccc(F)nc2)cc1C ZINC000929508813 1127916260 /nfs/dbraw/zinc/91/62/60/1127916260.db2.gz FRJNBPQYDQVOFU-CYBMUJFWSA-N 0 1 288.366 3.731 20 0 CHADMN CCC[C@@H](CNCc1nc(-c2ccccc2)cs1)OC ZINC000293703407 1127923579 /nfs/dbraw/zinc/92/35/79/1127923579.db2.gz PDBMVICTWCOKMD-AWEZNQCLSA-N 0 1 290.432 3.715 20 0 CHADMN C[C@H](NCc1ccc(-c2cc[nH]n2)o1)c1ccsc1 ZINC000669831187 1127930087 /nfs/dbraw/zinc/93/00/87/1127930087.db2.gz WGQUOKQHGIBFPT-JTQLQIEISA-N 0 1 273.361 3.582 20 0 CHADMN Cc1nc([C@@H](C)Sc2cc(C)c3ccccc3n2)n[nH]1 ZINC000412975197 1127933804 /nfs/dbraw/zinc/93/38/04/1127933804.db2.gz FKSNOJFVGPJHCO-SNVBAGLBSA-N 0 1 284.388 3.823 20 0 CHADMN COc1ccc(-c2n[nH]c(S[C@H](C)C(C)C)n2)cc1 ZINC000412984816 1127934688 /nfs/dbraw/zinc/93/46/88/1127934688.db2.gz RAHBLXWLGUNCHL-SNVBAGLBSA-N 0 1 277.393 3.617 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N(Cc2ccc(Br)cn2)C1 ZINC000539824504 1127940699 /nfs/dbraw/zinc/94/06/99/1127940699.db2.gz AJNAQXYVDAQYIT-VXGBXAGGSA-N 0 1 297.240 3.855 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2ccc(OC)cc2Cl)C1 ZINC000539825565 1127940901 /nfs/dbraw/zinc/94/09/01/1127940901.db2.gz RCUGYGROYKECHP-CYBMUJFWSA-N 0 1 297.826 3.597 20 0 CHADMN COc1cc(CN2CC[C@@H](C)[C@H](C)C2)cc(Cl)c1OC ZINC000539825746 1127941064 /nfs/dbraw/zinc/94/10/64/1127941064.db2.gz XAJIPZJKWMMJLU-VXGBXAGGSA-N 0 1 297.826 3.835 20 0 CHADMN Cc1nccc(N[C@@H]2CCc3ccc(F)cc32)c1Cl ZINC000539813806 1127941681 /nfs/dbraw/zinc/94/16/81/1127941681.db2.gz GLHFCCLSSRDLIU-CYBMUJFWSA-N 0 1 276.742 3.704 20 0 CHADMN Fc1cccc(CN2CCC(F)(c3cccnc3)CC2)c1 ZINC000375339034 1127941793 /nfs/dbraw/zinc/94/17/93/1127941793.db2.gz VSJJALIGIFPKRE-UHFFFAOYSA-N 0 1 288.341 3.682 20 0 CHADMN Fc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)ccc1Cl ZINC000539828400 1127945418 /nfs/dbraw/zinc/94/54/18/1127945418.db2.gz GLTBOVZWCZSSPF-TXEJJXNPSA-N 0 1 253.748 3.711 20 0 CHADMN C[C@H]1CSCCN1Cc1ccc(-c2ccccc2)o1 ZINC000539833248 1127946295 /nfs/dbraw/zinc/94/62/95/1127946295.db2.gz SJZLIFNNRGALLK-ZDUSSCGKSA-N 0 1 273.401 3.884 20 0 CHADMN CCCCN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000543871051 1127950197 /nfs/dbraw/zinc/95/01/97/1127950197.db2.gz VREZTGQGMFBDJR-CQSZACIVSA-N 0 1 287.325 3.879 20 0 CHADMN Cc1cnc([C@H](C)N2CCC(Cc3ccccc3)CC2)o1 ZINC000540011427 1127957193 /nfs/dbraw/zinc/95/71/93/1127957193.db2.gz SWDVUCIHCUXWHS-HNNXBMFYSA-N 0 1 284.403 3.999 20 0 CHADMN Cc1ccsc1[C@H](CO)N[C@H](C)c1ccc(F)cc1F ZINC000540155088 1127965120 /nfs/dbraw/zinc/96/51/20/1127965120.db2.gz IAMKLDKEWOQVPX-YGRLFVJLSA-N 0 1 297.370 3.719 20 0 CHADMN CC(C)[C@H](C)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000467452089 1127969600 /nfs/dbraw/zinc/96/96/00/1127969600.db2.gz BRLMVDTUYRNRIB-NSHDSACASA-N 0 1 254.805 3.858 20 0 CHADMN Cc1ccc(-c2noc([C@@H](C)NCCC3CC3)n2)cc1F ZINC000544520612 1127976122 /nfs/dbraw/zinc/97/61/22/1127976122.db2.gz WBYKNVMMALPRMT-LLVKDONJSA-N 0 1 289.354 3.635 20 0 CHADMN CCC[C@@H](C)CN(C)Cc1nc2c(s1)CCCC2 ZINC000540483065 1127980238 /nfs/dbraw/zinc/98/02/38/1127980238.db2.gz HEZCLJZCABBEMI-GFCCVEGCSA-N 0 1 266.454 3.890 20 0 CHADMN CC(C)(F)CCNCc1c(F)ccc(F)c1Cl ZINC000623565221 1127985363 /nfs/dbraw/zinc/98/53/63/1127985363.db2.gz GPHHHFOSHLPWCF-UHFFFAOYSA-N 0 1 265.706 3.846 20 0 CHADMN CCN(CCC1CC1)CC(=O)Nc1sc(C)c(C)c1C ZINC000544898646 1127988867 /nfs/dbraw/zinc/98/88/67/1127988867.db2.gz QFOQQXDRYDDZOF-UHFFFAOYSA-N 0 1 294.464 3.734 20 0 CHADMN COc1ccc([C@@H](C)N[C@H]2COc3ccc(F)cc32)cc1 ZINC000468052381 1127990114 /nfs/dbraw/zinc/99/01/14/1127990114.db2.gz YHNULJQNAKMLLW-BZNIZROVSA-N 0 1 287.334 3.619 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@](C)(CC)C2)n1 ZINC000468114262 1127992972 /nfs/dbraw/zinc/99/29/72/1127992972.db2.gz WWFNYWJWTHKPCF-WFASDCNBSA-N 0 1 265.401 3.595 20 0 CHADMN Cc1cc(F)ccc1-c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000544981507 1127994817 /nfs/dbraw/zinc/99/48/17/1127994817.db2.gz GDDRQSPXKKZIBW-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN COC/C(C)=C/C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000929633333 1127994647 /nfs/dbraw/zinc/99/46/47/1127994647.db2.gz VILYJIGVRKKMLL-MZTACXPWSA-N 0 1 281.346 3.694 20 0 CHADMN COC/C(C)=C/CN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000929633333 1127994650 /nfs/dbraw/zinc/99/46/50/1127994650.db2.gz VILYJIGVRKKMLL-MZTACXPWSA-N 0 1 281.346 3.694 20 0 CHADMN CSCc1cnc(CN([C@@H](C)C2CC2)C2CC2)s1 ZINC000507359689 1127995344 /nfs/dbraw/zinc/99/53/44/1127995344.db2.gz QCHSZLWZFUUDAH-JTQLQIEISA-N 0 1 282.478 3.769 20 0 CHADMN C[C@@H](c1ncccn1)N1CCC[C@](C)(c2ccccc2)C1 ZINC000929641080 1127999486 /nfs/dbraw/zinc/99/94/86/1127999486.db2.gz MJGFSEAQOFYZLH-YJBOKZPZSA-N 0 1 281.403 3.591 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CCC(C)(C)C3)n2)cc1 ZINC000541062863 1128005842 /nfs/dbraw/zinc/00/58/42/1128005842.db2.gz BZDWLXFJZQLIFU-ZDUSSCGKSA-N 0 1 298.390 3.545 20 0 CHADMN C[C@@H](c1ncccn1)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000929656718 1128007218 /nfs/dbraw/zinc/00/72/18/1128007218.db2.gz JDNZWBREWHGRAY-UONOGXRCSA-N 0 1 261.413 3.686 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1Cc1cnn(C(C)(C)C)c1 ZINC000468684567 1128016102 /nfs/dbraw/zinc/01/61/02/1128016102.db2.gz LHECSCDLTWFSLM-SFHVURJKSA-N 0 1 297.446 3.975 20 0 CHADMN CC(C)CCO[C@@H]1CCN(CCc2cccc(F)c2F)C1 ZINC000541348862 1128018928 /nfs/dbraw/zinc/01/89/28/1128018928.db2.gz HAZNNEVNHSLZGG-OAHLLOKOSA-N 0 1 297.389 3.644 20 0 CHADMN C[C@H](c1ncccn1)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000929676612 1128020299 /nfs/dbraw/zinc/02/02/99/1128020299.db2.gz RHVMZHJUTLIAPG-UMVBOHGHSA-N 0 1 285.366 3.555 20 0 CHADMN CN(Cc1ccn(-c2ccc(F)cc2)n1)C[C@@H]1CC=CCC1 ZINC000541315456 1128017011 /nfs/dbraw/zinc/01/70/11/1128017011.db2.gz GUDJAYQDXYHUTL-OAHLLOKOSA-N 0 1 299.393 3.800 20 0 CHADMN C[C@H]1CN(Cc2nc(-c3ccccc3)no2)CC(C)(C)C1 ZINC000541323917 1128017703 /nfs/dbraw/zinc/01/77/03/1128017703.db2.gz IGTWVOFUWNAMRJ-CYBMUJFWSA-N 0 1 285.391 3.605 20 0 CHADMN CC(C)c1ccc([C@H](C)N2CCc3n[nH]cc3C2)cc1 ZINC000541327003 1128018370 /nfs/dbraw/zinc/01/83/70/1128018370.db2.gz ZGOTWBVBQWLKOI-ZDUSSCGKSA-N 0 1 269.392 3.652 20 0 CHADMN CC[C@H](N[C@H](C)c1c(C)cccc1C)c1ccn(C)n1 ZINC000545519834 1128018754 /nfs/dbraw/zinc/01/87/54/1128018754.db2.gz PYUKYBNAYXIQFZ-CABCVRRESA-N 0 1 271.408 3.839 20 0 CHADMN COc1cc2c(cc1CN(C)[C@@H](C)c1ccccc1)OCO2 ZINC000545561910 1128020964 /nfs/dbraw/zinc/02/09/64/1128020964.db2.gz YVPHLGFKQLSPHV-ZDUSSCGKSA-N 0 1 299.370 3.617 20 0 CHADMN C[C@@H](CCC(C)(C)C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000541695745 1128033308 /nfs/dbraw/zinc/03/33/08/1128033308.db2.gz QWPFMGABCYSCMU-NSHDSACASA-N 0 1 273.380 3.964 20 0 CHADMN Cc1nnc([C@@H](C)NCCC23CC4CC(CC(C4)C2)C3)o1 ZINC000541685560 1128033622 /nfs/dbraw/zinc/03/36/22/1128033622.db2.gz RHKJPTZVSBGJMQ-AVULXXCZSA-N 0 1 289.423 3.635 20 0 CHADMN CC(C)c1nc([C@@H](C)NC(=O)[C@H](C)CCC(C)(C)C)n[nH]1 ZINC000541722929 1128034749 /nfs/dbraw/zinc/03/47/49/1128034749.db2.gz REYAXKWHURIACU-VXGBXAGGSA-N 0 1 294.443 3.568 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)N[C@H](C)c1ccon1 ZINC000541771426 1128038904 /nfs/dbraw/zinc/03/89/04/1128038904.db2.gz IGGMXDNSLFICDT-GHMZBOCLSA-N 0 1 264.756 3.610 20 0 CHADMN CC(C)CNC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000541841105 1128041605 /nfs/dbraw/zinc/04/16/05/1128041605.db2.gz WINNTPNGYPDJLQ-UHFFFAOYSA-N 0 1 299.399 3.677 20 0 CHADMN COC(C)(C)CCN(C)Cc1ccc(F)cc1Cl ZINC000469592582 1128047353 /nfs/dbraw/zinc/04/73/53/1128047353.db2.gz IGJFUWLFTAAMLJ-UHFFFAOYSA-N 0 1 273.779 3.726 20 0 CHADMN CO[C@@H](C)CN(Cc1ccccc1)Cc1ccccc1F ZINC000542001658 1128047907 /nfs/dbraw/zinc/04/79/07/1128047907.db2.gz OFTHYZPVLGJFSA-HNNXBMFYSA-N 0 1 287.378 3.863 20 0 CHADMN CCN(Cc1cnn(CC(C)C)c1)Cc1ccc(C)cc1 ZINC000542131051 1128051713 /nfs/dbraw/zinc/05/17/13/1128051713.db2.gz IMPIVICSGWDKHO-UHFFFAOYSA-N 0 1 285.435 3.870 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1ccc2c(c1)CCCC2 ZINC000491390211 1128068678 /nfs/dbraw/zinc/06/86/78/1128068678.db2.gz RYUIZBHCZMIAKZ-CQSZACIVSA-N 0 1 296.414 3.820 20 0 CHADMN Cc1ccc(C)c([C@H](NCCO)c2ccccc2Cl)c1 ZINC000491368991 1128068910 /nfs/dbraw/zinc/06/89/10/1128068910.db2.gz RIXWDVAGTLRWQC-QGZVFWFLSA-N 0 1 289.806 3.628 20 0 CHADMN CC[C@@H](CC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1)C(C)C ZINC000470331179 1128069415 /nfs/dbraw/zinc/06/94/15/1128069415.db2.gz VOFZXTAYIHRXTF-ZDUSSCGKSA-N 0 1 293.455 3.738 20 0 CHADMN CCCCN(CCCC)C(=O)CN[C@@H](C)c1ccsc1 ZINC000669938508 1128076760 /nfs/dbraw/zinc/07/67/60/1128076760.db2.gz QEKGEMOMVYRSPN-AWEZNQCLSA-N 0 1 296.480 3.828 20 0 CHADMN Cc1cc(NCC2(O)CCC2)c2cc(Cl)cc(C)c2n1 ZINC000470863426 1128078769 /nfs/dbraw/zinc/07/87/69/1128078769.db2.gz HJUFWLHYVDQAGL-UHFFFAOYSA-N 0 1 290.794 3.832 20 0 CHADMN C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H](C2CC2)O1 ZINC000470903390 1128079723 /nfs/dbraw/zinc/07/97/23/1128079723.db2.gz HUGCTEKQQHQADL-XHDPSFHLSA-N 0 1 299.336 3.705 20 0 CHADMN Cc1noc([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)n1 ZINC000669944730 1128084778 /nfs/dbraw/zinc/08/47/78/1128084778.db2.gz QJVKWGXXCMYKOF-VDNDLQMASA-N 0 1 297.402 3.850 20 0 CHADMN Cc1noc([C@@H](C)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)n1 ZINC000669944730 1128084782 /nfs/dbraw/zinc/08/47/82/1128084782.db2.gz QJVKWGXXCMYKOF-VDNDLQMASA-N 0 1 297.402 3.850 20 0 CHADMN CCc1cc(C(=O)N2CCCC3(C2)CCCCCC3)n[nH]1 ZINC000173377965 1128087837 /nfs/dbraw/zinc/08/78/37/1128087837.db2.gz MZICRNWILVYNOG-UHFFFAOYSA-N 0 1 289.423 3.549 20 0 CHADMN Cc1ccc(-c2noc([C@H]3CCCN3C(C)C)n2)c(F)c1 ZINC000923970958 1128088305 /nfs/dbraw/zinc/08/83/05/1128088305.db2.gz MUILIEGPARHJDR-CQSZACIVSA-N 0 1 289.354 3.729 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2ccccc2c1)c1cn(C)cn1 ZINC000924542162 1128103109 /nfs/dbraw/zinc/10/31/09/1128103109.db2.gz QKCISYBABSDMKN-UONOGXRCSA-N 0 1 279.387 3.985 20 0 CHADMN Cc1ccccc1CN[C@H](C)c1cccc2c1OCO2 ZINC000924558666 1128104826 /nfs/dbraw/zinc/10/48/26/1128104826.db2.gz BRJBQDSQSPFMBU-CYBMUJFWSA-N 0 1 269.344 3.575 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)C2(Br)CC2)o1 ZINC000924563333 1128105703 /nfs/dbraw/zinc/10/57/03/1128105703.db2.gz ICCYMIPTTJPXNF-UWVGGRQHSA-N 0 1 272.186 3.555 20 0 CHADMN COc1ccnc([C@H](C)N[C@H](c2ccccc2)C2CC2)c1 ZINC000924597338 1128106247 /nfs/dbraw/zinc/10/62/47/1128106247.db2.gz IRFMFADLEWRIGL-SCLBCKFNSA-N 0 1 282.387 3.892 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccnn2C2CCC2)ccc1F ZINC000924594837 1128106525 /nfs/dbraw/zinc/10/65/25/1128106525.db2.gz QXWZCFNGUHVARV-ZDUSSCGKSA-N 0 1 287.382 3.906 20 0 CHADMN COCc1cccc(CN[C@@H](C)c2cnn(C3CCC3)c2)c1 ZINC000924683084 1128109723 /nfs/dbraw/zinc/10/97/23/1128109723.db2.gz DEGZIMGONINAQJ-AWEZNQCLSA-N 0 1 299.418 3.605 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2ccc(CF)cc2)n1 ZINC000777534956 1128111549 /nfs/dbraw/zinc/11/15/49/1128111549.db2.gz GISYDCABVQPHQX-UHFFFAOYSA-N 0 1 279.384 3.864 20 0 CHADMN CC(C)(C)c1nc(SCc2ccc(CF)cc2)n[nH]1 ZINC000777534956 1128111551 /nfs/dbraw/zinc/11/15/51/1128111551.db2.gz GISYDCABVQPHQX-UHFFFAOYSA-N 0 1 279.384 3.864 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccnn2C2CCC2)cc1 ZINC000924781903 1128113222 /nfs/dbraw/zinc/11/32/22/1128113222.db2.gz JFUNWBRDKIKHDM-AWEZNQCLSA-N 0 1 299.418 3.858 20 0 CHADMN CCC[C@@H](NC[C@@H](O)CC(C)C)c1ncccc1Cl ZINC000924871444 1128115084 /nfs/dbraw/zinc/11/50/84/1128115084.db2.gz NFRSLTJYZGEVDZ-GXTWGEPZSA-N 0 1 284.831 3.573 20 0 CHADMN C[C@H](NCc1cccc(COC(C)(C)C)c1)c1ccnnc1 ZINC000924903702 1128115976 /nfs/dbraw/zinc/11/59/76/1128115976.db2.gz KUPGCIQYQJBNQA-AWEZNQCLSA-N 0 1 299.418 3.643 20 0 CHADMN C[C@H](N[C@@H](C)C(C)(C)c1ccccc1)c1ncco1 ZINC000924929954 1128116856 /nfs/dbraw/zinc/11/68/56/1128116856.db2.gz ODJCGDUSVVIMHL-STQMWFEESA-N 0 1 258.365 3.692 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H]1C)c1ncc(C(F)(F)F)cc1Cl ZINC000924952993 1128117357 /nfs/dbraw/zinc/11/73/57/1128117357.db2.gz YPNNEDBKKLYUNI-MHYGZLNHSA-N 0 1 278.705 3.813 20 0 CHADMN C[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1cn(C)cn1 ZINC000924945217 1128117365 /nfs/dbraw/zinc/11/73/65/1128117365.db2.gz DFENIYAONSUFBV-YVEFUNNKSA-N 0 1 287.382 3.751 20 0 CHADMN CCC[C@H](NC[C@@H](O)[C@H](C)CC)c1ncccc1Cl ZINC000925045500 1128119937 /nfs/dbraw/zinc/11/99/37/1128119937.db2.gz LHOKOLGFKNOEBN-KWCYVHTRSA-N 0 1 284.831 3.573 20 0 CHADMN CCc1ccccc1CN[C@H](C)c1cn2c(n1)CCCC2 ZINC000925110899 1128122423 /nfs/dbraw/zinc/12/24/23/1128122423.db2.gz DNEGJDRSMRPAIM-CQSZACIVSA-N 0 1 283.419 3.633 20 0 CHADMN Cc1cc(CN([C@@H](C)c2ccccc2)C2CC2)nc(C)n1 ZINC000660042399 1128122606 /nfs/dbraw/zinc/12/26/06/1128122606.db2.gz HNXJDHAEHDHSRL-AWEZNQCLSA-N 0 1 281.403 3.819 20 0 CHADMN CC[C@@H](N[C@@H](CC)c1cccc(OC)n1)c1ccncc1 ZINC000925131629 1128122903 /nfs/dbraw/zinc/12/29/03/1128122903.db2.gz UVSCLYCPARVRBC-CABCVRRESA-N 0 1 285.391 3.677 20 0 CHADMN CCc1ccc(C(C)(C)CN[C@H](C)c2ncco2)cc1 ZINC000925234253 1128126366 /nfs/dbraw/zinc/12/63/66/1128126366.db2.gz ZRZSLQHQUVWJAY-CYBMUJFWSA-N 0 1 272.392 3.865 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1cn3c(n1)CCCC3)CC2 ZINC000925375625 1128128604 /nfs/dbraw/zinc/12/86/04/1128128604.db2.gz SJGMVXRAPIYIRL-RHSMWYFYSA-N 0 1 295.430 3.866 20 0 CHADMN c1csc([C@H](NCC2CC=CC2)c2ccccc2)n1 ZINC000660047047 1128130164 /nfs/dbraw/zinc/13/01/64/1128130164.db2.gz RUJZJYWLFZQRSA-OAHLLOKOSA-N 0 1 270.401 3.788 20 0 CHADMN COc1ccccc1[C@H](NCC1(C)CCC1)c1ccccn1 ZINC000925498346 1128130637 /nfs/dbraw/zinc/13/06/37/1128130637.db2.gz OQQHXDXYHIUIFK-SFHVURJKSA-N 0 1 296.414 3.959 20 0 CHADMN C[C@H](NCCCF)c1ncc(C(F)(F)F)cc1Cl ZINC000925560683 1128132180 /nfs/dbraw/zinc/13/21/80/1128132180.db2.gz WZWTWEURYCMRMS-ZETCQYMHSA-N 0 1 284.684 3.764 20 0 CHADMN CC(=O)[C@@H](N[C@@H](C)Cc1cccc(F)c1)c1ccccc1 ZINC001168456324 1128134339 /nfs/dbraw/zinc/13/43/39/1128134339.db2.gz PHHYVRRINFNURB-SCLBCKFNSA-N 0 1 285.362 3.677 20 0 CHADMN Cc1oc2ccccc2c1[C@@H](C)NCc1cnn(C)c1C ZINC000925637725 1128134967 /nfs/dbraw/zinc/13/49/67/1128134967.db2.gz QQUDMWFVLPDYLD-LLVKDONJSA-N 0 1 283.375 3.634 20 0 CHADMN C[C@@H](N[C@H](C)c1coc2ccccc12)c1cn[nH]c1 ZINC000925634861 1128134992 /nfs/dbraw/zinc/13/49/92/1128134992.db2.gz MCQCXVCLCASJPV-GHMZBOCLSA-N 0 1 255.321 3.568 20 0 CHADMN CCCN(CC1CCCCC1)C(=O)c1cccc2n[nH]cc21 ZINC000493372925 1128139770 /nfs/dbraw/zinc/13/97/70/1128139770.db2.gz MAMAJZNRGRFKSG-UHFFFAOYSA-N 0 1 299.418 3.995 20 0 CHADMN Cc1cccc2c1CCN(CCC(=O)c1ccccc1)C2 ZINC000777576058 1128143161 /nfs/dbraw/zinc/14/31/61/1128143161.db2.gz LQQKQORVTXXTHS-UHFFFAOYSA-N 0 1 279.383 3.626 20 0 CHADMN CC=C(C=CC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1)CC ZINC000493557462 1128143679 /nfs/dbraw/zinc/14/36/79/1128143679.db2.gz OFFFCKVESYYUQP-QLNUPNCESA-N 0 1 289.423 3.578 20 0 CHADMN CCCc1csc(CN[C@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000494146756 1128157312 /nfs/dbraw/zinc/15/73/12/1128157312.db2.gz VIAYZUVCSPJSON-HOCLYGCPSA-N 0 1 286.444 3.816 20 0 CHADMN CCCc1csc(CN[C@@H]2C[C@@H](OCC)C23CCC3)n1 ZINC000494104974 1128157400 /nfs/dbraw/zinc/15/74/00/1128157400.db2.gz GHXWDWQUQDMLME-ZIAGYGMSSA-N 0 1 294.464 3.533 20 0 CHADMN CCCc1csc(CN[C@@H]2C[C@H]2Cc2ccccc2)n1 ZINC000494146754 1128157412 /nfs/dbraw/zinc/15/74/12/1128157412.db2.gz VIAYZUVCSPJSON-GDBMZVCRSA-N 0 1 286.444 3.816 20 0 CHADMN C[C@@H]1C[C@H]1CN[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000542475122 1128157941 /nfs/dbraw/zinc/15/79/41/1128157941.db2.gz QITSYOSXIRISMB-ZUCKAHLUSA-N 0 1 288.341 3.695 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@H](C)c1cn2c(n1)CCCC2 ZINC000926173780 1128158096 /nfs/dbraw/zinc/15/80/96/1128158096.db2.gz YGBDMCXQCOCTDX-GHMZBOCLSA-N 0 1 289.345 3.601 20 0 CHADMN CC(C)(C)c1nc(CN2CCCC[C@@H]2c2ccccc2)n[nH]1 ZINC000432867713 1128158201 /nfs/dbraw/zinc/15/82/01/1128158201.db2.gz WNCSHINJVDTPHG-OAHLLOKOSA-N 0 1 298.434 3.829 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000926185810 1128158808 /nfs/dbraw/zinc/15/88/08/1128158808.db2.gz KUGLQIRYCNDYEH-CFVMTHIKSA-N 0 1 292.423 3.542 20 0 CHADMN COc1ccccc1[C@@H](NC[C@H]1C=CCC1)c1ccccn1 ZINC000926836808 1128196983 /nfs/dbraw/zinc/19/69/83/1128196983.db2.gz JWHOTIJHCQVGPV-HNAYVOBHSA-N 0 1 294.398 3.735 20 0 CHADMN Cc1cscc1CN[C@H](C)c1ccnn1C1CCC1 ZINC000926302262 1128165684 /nfs/dbraw/zinc/16/56/84/1128165684.db2.gz JGPLGUPOLRKEGG-GFCCVEGCSA-N 0 1 275.421 3.829 20 0 CHADMN CSc1ccc([C@H](C)N[C@H](C)c2ccnnc2)cc1 ZINC000926353351 1128168685 /nfs/dbraw/zinc/16/86/85/1128168685.db2.gz SHXWJFRPKBTAKM-NWDGAFQWSA-N 0 1 273.405 3.610 20 0 CHADMN CCn1nc(C)c([C@H](C)N[C@H]2C[C@H](c3ccccc3C)C2)n1 ZINC000926349511 1128168719 /nfs/dbraw/zinc/16/87/19/1128168719.db2.gz ALZWSILCDKIXMP-BPUTZDHNSA-N 0 1 298.434 3.512 20 0 CHADMN COCc1nc(CN[C@H]2C[C@H](C)CCC2=C(C)C)cs1 ZINC000926449836 1128172335 /nfs/dbraw/zinc/17/23/35/1128172335.db2.gz INIUELYXKIBIAH-DOMZBBRYSA-N 0 1 294.464 3.904 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2Nc1cc2c(cn1)CCCC2 ZINC000926468207 1128173139 /nfs/dbraw/zinc/17/31/39/1128173139.db2.gz YMDFSFCCADHLMV-AWEZNQCLSA-N 0 1 283.375 3.746 20 0 CHADMN CN(C)c1ccccc1CNCc1ccc(Cl)cc1F ZINC000494480274 1128174745 /nfs/dbraw/zinc/17/47/45/1128174745.db2.gz YONWWVMDAZIVOX-UHFFFAOYSA-N 0 1 292.785 3.835 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(OC(F)(F)F)cc1)c1cn[nH]c1 ZINC000222462444 1128177612 /nfs/dbraw/zinc/17/76/12/1128177612.db2.gz RPZQLTPKGOVWTF-NXEZZACHSA-N 0 1 299.296 3.720 20 0 CHADMN Cc1cc(C)c(CN[C@H](c2ccccn2)C2CCC2)cn1 ZINC000926549108 1128180016 /nfs/dbraw/zinc/18/00/16/1128180016.db2.gz DSBCXAMSUNMNGQ-SFHVURJKSA-N 0 1 281.403 3.724 20 0 CHADMN Cc1ccccc1C1(N[C@H](C)Cc2cccc(F)c2)COC1 ZINC001168466127 1128180024 /nfs/dbraw/zinc/18/00/24/1128180024.db2.gz AGRDOGYBVYUKQC-OAHLLOKOSA-N 0 1 299.389 3.580 20 0 CHADMN Cc1cccc([C@H](NC[C@H]2CC[C@H](C)O2)c2ccccn2)c1 ZINC000926558278 1128180476 /nfs/dbraw/zinc/18/04/76/1128180476.db2.gz CSCYISFXSAYTIT-WDYCEAGBSA-N 0 1 296.414 3.637 20 0 CHADMN C[C@H](NC[C@@H]1[C@@H](c2ccccc2)C1(C)C)c1ncco1 ZINC000926567373 1128181384 /nfs/dbraw/zinc/18/13/84/1128181384.db2.gz QEFKADBYZJGJCP-NWANDNLSSA-N 0 1 270.376 3.765 20 0 CHADMN C[C@H](N[C@@H](CO)CCF)c1cc(Cl)cc(Cl)c1F ZINC000926654028 1128186250 /nfs/dbraw/zinc/18/62/50/1128186250.db2.gz ATKMOXMNYIJCGC-IONNQARKSA-N 0 1 298.160 3.504 20 0 CHADMN C[C@@H](N[C@H]1c2ccccc2C[C@@H]1O)c1coc2ccccc12 ZINC000926669619 1128186653 /nfs/dbraw/zinc/18/66/53/1128186653.db2.gz SYNNGLKRPGHBGW-LWLIDHTLSA-N 0 1 293.366 3.742 20 0 CHADMN O[C@@H]1C[C@@H](N[C@@H](c2ccccn2)C2CCC2)c2ccccc21 ZINC000926699715 1128188448 /nfs/dbraw/zinc/18/84/48/1128188448.db2.gz LFVRNDXXFQGMMP-GUDVDZBRSA-N 0 1 294.398 3.691 20 0 CHADMN C[C@@H](N[C@H]1COC2(CCC2)C1)c1cc(-c2ccccc2)no1 ZINC000926696068 1128188719 /nfs/dbraw/zinc/18/87/19/1128188719.db2.gz GMWGLWJMOBMUCA-UKRRQHHQSA-N 0 1 298.386 3.704 20 0 CHADMN C[C@@H](NCc1cscc1Cl)C1(Cl)CC1 ZINC000926863658 1128199125 /nfs/dbraw/zinc/19/91/25/1128199125.db2.gz AXEOVQYBSSWCQW-SSDOTTSWSA-N 0 1 250.194 3.651 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cn(C)cn1)c1cc(C)ccc1C ZINC000926768342 1128192890 /nfs/dbraw/zinc/19/28/90/1128192890.db2.gz SWAPMGSURNCBDH-GOEBONIOSA-N 0 1 271.408 3.839 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2cc(O)cc(F)c2)s1 ZINC000926785149 1128194100 /nfs/dbraw/zinc/19/41/00/1128194100.db2.gz JPWNFBRKEVILEQ-RKDXNWHRSA-N 0 1 280.368 3.708 20 0 CHADMN CC[C@H](N[C@H](C)c1cnc(C)s1)c1cccc(OC)n1 ZINC000926787016 1128194260 /nfs/dbraw/zinc/19/42/60/1128194260.db2.gz RLPNFEDZINWYJI-PWSUYJOCSA-N 0 1 291.420 3.657 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccnn1CC1CCC1 ZINC000926787680 1128194411 /nfs/dbraw/zinc/19/44/11/1128194411.db2.gz ZHIJTPYEOZVCSO-AEGPPILISA-N 0 1 279.403 3.615 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(C(C)(C)O)cc2)o1 ZINC000926789877 1128195088 /nfs/dbraw/zinc/19/50/88/1128195088.db2.gz WKUMBLOYAVOXAI-CYBMUJFWSA-N 0 1 273.376 3.666 20 0 CHADMN CCC(CC)(CN[C@H](C)c1cc(OC)no1)C(F)(F)F ZINC000926794384 1128195130 /nfs/dbraw/zinc/19/51/30/1128195130.db2.gz IPUQZJYVTWYSES-SECBINFHSA-N 0 1 294.317 3.703 20 0 CHADMN CCCc1csc(CN[C@@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000494146755 1128156943 /nfs/dbraw/zinc/15/69/43/1128156943.db2.gz VIAYZUVCSPJSON-GOEBONIOSA-N 0 1 286.444 3.816 20 0 CHADMN COc1cccc(CN2CCC[C@@H]2c2cc(C)no2)c1C ZINC000929289681 1128268324 /nfs/dbraw/zinc/26/83/24/1128268324.db2.gz YXCLGFQVWBYHJW-OAHLLOKOSA-N 0 1 286.375 3.637 20 0 CHADMN Cc1nnsc1[C@@H](C)N(C)CCCCc1ccccc1 ZINC000929289198 1128268607 /nfs/dbraw/zinc/26/86/07/1128268607.db2.gz MMCCJNSPJSGQJS-CQSZACIVSA-N 0 1 289.448 3.862 20 0 CHADMN C[C@H](c1ccccc1F)N(C)CCc1ccns1 ZINC000929286836 1128268618 /nfs/dbraw/zinc/26/86/18/1128268618.db2.gz VVUGBWSXBACMIG-LLVKDONJSA-N 0 1 264.369 3.518 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC[C@](C)(F)C1 ZINC001168482563 1128252388 /nfs/dbraw/zinc/25/23/88/1128252388.db2.gz XSNHHVZMJAMEIS-WFASDCNBSA-N 0 1 253.336 3.581 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)N1CCC[C@](C)(F)C1 ZINC001168482563 1128252390 /nfs/dbraw/zinc/25/23/90/1128252390.db2.gz XSNHHVZMJAMEIS-WFASDCNBSA-N 0 1 253.336 3.581 20 0 CHADMN C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(CF)cc1 ZINC000777714697 1128252919 /nfs/dbraw/zinc/25/29/19/1128252919.db2.gz ZRYSMRHQWJSMKS-ZDUSSCGKSA-N 0 1 258.340 3.744 20 0 CHADMN CC[C@H]1COC[C@H]1NCc1c(Cl)cccc1Cl ZINC000699481707 1128254484 /nfs/dbraw/zinc/25/44/84/1128254484.db2.gz GOFIHRZIHOGALW-TVQRCGJNSA-N 0 1 274.191 3.508 20 0 CHADMN FCc1ccc(CN(Cc2ccccn2)C2CC2)cc1 ZINC000777725553 1128254629 /nfs/dbraw/zinc/25/46/29/1128254629.db2.gz UCZVEWHAQLLAII-UHFFFAOYSA-N 0 1 270.351 3.716 20 0 CHADMN FCCN1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000761971051 1128257905 /nfs/dbraw/zinc/25/79/05/1128257905.db2.gz WGRXBFIQNPPNPM-UHFFFAOYSA-N 0 1 275.289 3.854 20 0 CHADMN CN(C)c1ncc(CN(C)Cc2ccco2)c2ccccc21 ZINC000929140606 1128260360 /nfs/dbraw/zinc/26/03/60/1128260360.db2.gz YXNHWGAZJOLNJW-UHFFFAOYSA-N 0 1 295.386 3.526 20 0 CHADMN Cc1nc(C)c(CN(C)[C@H](C)c2ccc(Cl)cc2)[nH]1 ZINC000929173126 1128261668 /nfs/dbraw/zinc/26/16/68/1128261668.db2.gz XYJJDBFZZDXDTD-LLVKDONJSA-N 0 1 277.799 3.873 20 0 CHADMN CN(Cc1ccsc1)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929179304 1128262627 /nfs/dbraw/zinc/26/26/27/1128262627.db2.gz HHIAMKJNFYQMKF-NEPJUHHUSA-N 0 1 293.354 3.680 20 0 CHADMN C[C@@H](c1cccnc1)N1C[C@H](C)OC2(CCCCC2)C1 ZINC000653906236 1128200382 /nfs/dbraw/zinc/20/03/82/1128200382.db2.gz QNCLLNASQCEOEP-GJZGRUSLSA-N 0 1 274.408 3.566 20 0 CHADMN CC[C@H](N[C@H](c1ccccn1)C1CC1)c1cccc(OC)n1 ZINC000926895494 1128200439 /nfs/dbraw/zinc/20/04/39/1128200439.db2.gz XATXVQCFEHXLPX-KSSFIOAISA-N 0 1 297.402 3.677 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)N[C@@H]1CCc2cccnc21 ZINC000926900182 1128201379 /nfs/dbraw/zinc/20/13/79/1128201379.db2.gz VZYBCUWHKZOMID-MLGOLLRUSA-N 0 1 270.351 3.867 20 0 CHADMN Cc1cc([C@H](C)NCC2(c3cccc(F)c3)CCC2)no1 ZINC000926922560 1128202976 /nfs/dbraw/zinc/20/29/76/1128202976.db2.gz ISRQKTONYPEGJZ-ZDUSSCGKSA-N 0 1 288.366 3.895 20 0 CHADMN Cc1cc(C(C)(C)C)cc(C)c1CN1CC[C@@](F)(CO)C1 ZINC000670111810 1128204019 /nfs/dbraw/zinc/20/40/19/1128204019.db2.gz MTOIWMYWLPMVBM-SFHVURJKSA-N 0 1 293.426 3.507 20 0 CHADMN CCc1onc(C)c1CN(C)[C@H]1CCc2ccccc21 ZINC000929245633 1128265759 /nfs/dbraw/zinc/26/57/59/1128265759.db2.gz DYYBQYDDTPCNMX-INIZCTEOSA-N 0 1 270.376 3.665 20 0 CHADMN CC(=O)Nc1ccc([C@@H](C)NCc2ncc(C)cc2C)cc1 ZINC000926961002 1128206619 /nfs/dbraw/zinc/20/66/19/1128206619.db2.gz SCUXMAWEENUOJT-CQSZACIVSA-N 0 1 297.402 3.508 20 0 CHADMN CC(C)CN(Cn1ccn(C(C)C)c1=S)C1CC1 ZINC000914566665 1128210969 /nfs/dbraw/zinc/21/09/69/1128210969.db2.gz LCESMTWJPGOBCP-UHFFFAOYSA-N 0 1 267.442 3.678 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2cccnc21)c1ccc(Cl)nc1 ZINC000927059889 1128212576 /nfs/dbraw/zinc/21/25/76/1128212576.db2.gz OQTZXFOXRSDNJA-BXUZGUMPSA-N 0 1 287.794 3.858 20 0 CHADMN C[C@H](N[C@H]1CCCc2cccnc21)c1ccccc1N(C)C ZINC000927062561 1128213011 /nfs/dbraw/zinc/21/30/11/1128213011.db2.gz JPAHDBBSSUWRLE-YOEHRIQHSA-N 0 1 295.430 3.876 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@@H]1CCCc2cccnc21 ZINC000927061704 1128213082 /nfs/dbraw/zinc/21/30/82/1128213082.db2.gz QIHDXYYSDDLVRW-DGCLKSJQSA-N 0 1 288.416 3.880 20 0 CHADMN CC(C)[C@@H](N[C@@H]1CCCc2cccnc21)c1ccc(F)cn1 ZINC000927061499 1128213441 /nfs/dbraw/zinc/21/34/41/1128213441.db2.gz QGESBSSTLHQJBL-IAGOWNOFSA-N 0 1 299.393 3.980 20 0 CHADMN CCC(CC)(CC)NCc1nnc(C(F)(F)F)s1 ZINC000660082534 1128214053 /nfs/dbraw/zinc/21/40/53/1128214053.db2.gz ZBGOAWBEUJCOAY-UHFFFAOYSA-N 0 1 281.347 3.615 20 0 CHADMN Cc1nc(C)c([C@@H](C)N(C)C/C=C\c2ccncc2)s1 ZINC000494939200 1128215304 /nfs/dbraw/zinc/21/53/04/1128215304.db2.gz QNEXXZVNFRKQAW-CFHLNLSMSA-N 0 1 287.432 3.861 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1ccc(Cl)nc1)c1cnn(C)c1 ZINC000927070563 1128215752 /nfs/dbraw/zinc/21/57/52/1128215752.db2.gz PDTIYOWVBOQYNR-IAQYHMDHSA-N 0 1 292.814 3.516 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1ccc(Cl)nc1)c1cnn(C)c1 ZINC000927070565 1128215807 /nfs/dbraw/zinc/21/58/07/1128215807.db2.gz PDTIYOWVBOQYNR-XHDPSFHLSA-N 0 1 292.814 3.516 20 0 CHADMN CC[C@H](NCc1cc(C2CC2)nn1C)c1cccc(F)c1 ZINC000927101280 1128217720 /nfs/dbraw/zinc/21/77/20/1128217720.db2.gz LERNADZSZKCJLO-INIZCTEOSA-N 0 1 287.382 3.678 20 0 CHADMN C[C@H]1CCc2ccccc2[C@@H]1NCc1cc(C2CC2)n(C)n1 ZINC000927111417 1128218698 /nfs/dbraw/zinc/21/86/98/1128218698.db2.gz BVFLYNCXRLAEKK-ORAYPTAESA-N 0 1 295.430 3.711 20 0 CHADMN CCc1onc(C)c1CN[C@H]1CCCc2c(F)cccc21 ZINC000927131248 1128220815 /nfs/dbraw/zinc/22/08/15/1128220815.db2.gz IGTIVWWXZAAQRM-INIZCTEOSA-N 0 1 288.366 3.852 20 0 CHADMN CCOc1c(Cl)cccc1CN1CC[C@@H](C)C1 ZINC000495001096 1128221853 /nfs/dbraw/zinc/22/18/53/1128221853.db2.gz WJJJRVYAGQQCIJ-LLVKDONJSA-N 0 1 253.773 3.581 20 0 CHADMN CCc1onc(C)c1CN[C@H](C)c1ccc(F)c(C)c1 ZINC000927141802 1128222692 /nfs/dbraw/zinc/22/26/92/1128222692.db2.gz YGZNFFANNSLPIM-LLVKDONJSA-N 0 1 276.355 3.844 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)C(C)C)n[nH]2)c(C)c1 ZINC000495011670 1128223528 /nfs/dbraw/zinc/22/35/28/1128223528.db2.gz ZYEWNKFTRPBYGX-CQSZACIVSA-N 0 1 299.418 3.810 20 0 CHADMN C(=C/c1ccncc1)\CN1CCSC[C@@H]1c1ccccc1 ZINC000495069881 1128228330 /nfs/dbraw/zinc/22/83/30/1128228330.db2.gz UNLDWRPVCUIITM-SHCNBLLESA-N 0 1 296.439 3.885 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc(F)cc2)cc1F ZINC000495071902 1128228482 /nfs/dbraw/zinc/22/84/82/1128228482.db2.gz YXTJUUIBZGFDEF-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN Cc1nc(C)c(CN(C)Cc2cccc3ccccc32)[nH]1 ZINC000929285518 1128267431 /nfs/dbraw/zinc/26/74/31/1128267431.db2.gz LRCLOSDKCFCMMO-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN Cc1cc(CNc2ccc3c(c2)nc2n3CCCCC2)no1 ZINC000777666603 1128235503 /nfs/dbraw/zinc/23/55/03/1128235503.db2.gz HAAMSZPUBHWSOS-UHFFFAOYSA-N 0 1 296.374 3.671 20 0 CHADMN CCC[C@@H](C)[N@H+]1CCO[C@@](C)(c2ccc(C)cc2)C1 ZINC001257325182 1128235607 /nfs/dbraw/zinc/23/56/07/1128235607.db2.gz GZPYEMGGYHRADA-NVXWUHKLSA-N 0 1 261.409 3.731 20 0 CHADMN CCc1ccc(CNC2(C(=O)Nc3ccccc3)CC2)cc1 ZINC000495152139 1128237485 /nfs/dbraw/zinc/23/74/85/1128237485.db2.gz SHSMFKLVVPQRQV-UHFFFAOYSA-N 0 1 294.398 3.510 20 0 CHADMN CCN(Cc1[nH]c(C)nc1C)[C@H](C)c1ccc(F)cc1 ZINC000929333875 1128270354 /nfs/dbraw/zinc/27/03/54/1128270354.db2.gz SCZVEMMFXXGXKC-GFCCVEGCSA-N 0 1 275.371 3.749 20 0 CHADMN CC[C@@H]1C[C@H]1CN(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000929343678 1128270809 /nfs/dbraw/zinc/27/08/09/1128270809.db2.gz MBXJKIOXYWVYNP-CVEARBPZSA-N 0 1 288.435 3.528 20 0 CHADMN CC(C)OCc1noc(CN(C)C2CCCCCCC2)n1 ZINC000929424922 1128273858 /nfs/dbraw/zinc/27/38/58/1128273858.db2.gz CSAZNVLGWSDNNF-UHFFFAOYSA-N 0 1 295.427 3.539 20 0 CHADMN Cc1nc2ccc(NC(=O)C[C@H]3CCCC3(F)F)cc2[nH]1 ZINC000929611378 1128279475 /nfs/dbraw/zinc/27/94/75/1128279475.db2.gz KHPUTPUEAKMWAL-SNVBAGLBSA-N 0 1 293.317 3.635 20 0 CHADMN CCc1cc(C[N@H+]2CCc3ccccc3[C@H]2CC)on1 ZINC001203226187 1128279516 /nfs/dbraw/zinc/27/95/16/1128279516.db2.gz HDODZGWZNQKMAE-QGZVFWFLSA-N 0 1 270.376 3.746 20 0 CHADMN CCc1cc(CN2CCc3ccccc3[C@H]2CC)on1 ZINC001203226187 1128279519 /nfs/dbraw/zinc/27/95/19/1128279519.db2.gz HDODZGWZNQKMAE-QGZVFWFLSA-N 0 1 270.376 3.746 20 0 CHADMN C[C@@H](N(C)Cc1coc(C(C)(C)C)n1)C1(C)CC1 ZINC000929816784 1128289217 /nfs/dbraw/zinc/28/92/17/1128289217.db2.gz LOXKLCKMEZSFDP-LLVKDONJSA-N 0 1 250.386 3.593 20 0 CHADMN Cc1cc(C)nc(CN(CCC(F)(F)F)CC2CC2)c1 ZINC000929817778 1128289333 /nfs/dbraw/zinc/28/93/33/1128289333.db2.gz LFDJISHHPKFYHH-UHFFFAOYSA-N 0 1 286.341 3.863 20 0 CHADMN CC[C@H]1CN(Cc2cnc(-c3ccccc3)o2)CCS1 ZINC000929753552 1128285730 /nfs/dbraw/zinc/28/57/30/1128285730.db2.gz RXJDAIAYMGTMDQ-HNNXBMFYSA-N 0 1 288.416 3.669 20 0 CHADMN FCc1ccccc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000929886155 1128291656 /nfs/dbraw/zinc/29/16/56/1128291656.db2.gz OTODJJCKGNZJPY-INIZCTEOSA-N 0 1 258.340 3.821 20 0 CHADMN Cc1noc(C)c1CN(C)CCSc1ccccc1F ZINC000915216991 1128293131 /nfs/dbraw/zinc/29/31/31/1128293131.db2.gz MCVPGSRQFTWMBC-UHFFFAOYSA-N 0 1 294.395 3.655 20 0 CHADMN C[C@H]1c2ccc(Cl)n2CCN1CCCc1cccnc1 ZINC000930109634 1128300846 /nfs/dbraw/zinc/30/08/46/1128300846.db2.gz IXILMTZMSZZZBL-ZDUSSCGKSA-N 0 1 289.810 3.546 20 0 CHADMN CC(C)c1nsc(CN(C(C)C)C2CCCC2)n1 ZINC000929956236 1128295787 /nfs/dbraw/zinc/29/57/87/1128295787.db2.gz HLDDWICDJDZJOU-UHFFFAOYSA-N 0 1 267.442 3.815 20 0 CHADMN CCc1ncc(CN[C@]2(C)CCCc3ccccc32)o1 ZINC000929972323 1128296236 /nfs/dbraw/zinc/29/62/36/1128296236.db2.gz ZXVIKLYNRQEVGB-QGZVFWFLSA-N 0 1 270.376 3.578 20 0 CHADMN FCc1ccccc1CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000930027045 1128298420 /nfs/dbraw/zinc/29/84/20/1128298420.db2.gz HAOSNBAAWCCGPZ-UHFFFAOYSA-N 0 1 295.361 3.632 20 0 CHADMN C[C@H](c1ccccn1)N(C)C[C@@H]1CCCC2(CCC2)O1 ZINC000930120231 1128302082 /nfs/dbraw/zinc/30/20/82/1128302082.db2.gz ZTXDSUMDUVZUNY-CABCVRRESA-N 0 1 274.408 3.566 20 0 CHADMN C[C@H](c1ccncc1)[N@@H+](C)Cc1ccccc1CF ZINC000930118354 1128302233 /nfs/dbraw/zinc/30/22/33/1128302233.db2.gz DKYYFDLJGIUOCU-CYBMUJFWSA-N 0 1 258.340 3.744 20 0 CHADMN COc1cccc(C[N@@H+](C)[C@H](C)c2ccccn2)c1C ZINC000930118636 1128302424 /nfs/dbraw/zinc/30/24/24/1128302424.db2.gz GXDWXPMVBWYWGO-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN COc1cccc(CN(C)[C@H](C)c2ccccn2)c1C ZINC000930118636 1128302428 /nfs/dbraw/zinc/30/24/28/1128302428.db2.gz GXDWXPMVBWYWGO-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN Cc1nnsc1[C@H](C)N[C@@H](C)c1ccc(C)cc1 ZINC000930187992 1128305582 /nfs/dbraw/zinc/30/55/82/1128305582.db2.gz JVIWTAKKIJJILM-QWRGUYRKSA-N 0 1 261.394 3.567 20 0 CHADMN Cc1cn(C)nc1CN[C@@H](c1ccccc1C)C(C)C ZINC000930217219 1128307799 /nfs/dbraw/zinc/30/77/99/1128307799.db2.gz KSJGKACTDIGUOM-QGZVFWFLSA-N 0 1 271.408 3.524 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@H](C)c2snnc2C)c1 ZINC000930209348 1128307856 /nfs/dbraw/zinc/30/78/56/1128307856.db2.gz BAPLXZWHYYKBEH-GHMZBOCLSA-N 0 1 291.420 3.657 20 0 CHADMN COC/C(C)=C/CN[C@H](C)c1ccc(F)cc1Cl ZINC000930220637 1128308508 /nfs/dbraw/zinc/30/85/08/1128308508.db2.gz DPSVMZBCDTYQGC-CDCCAWJDSA-N 0 1 271.763 3.722 20 0 CHADMN Cc1nnsc1[C@H](C)N[C@@H](C)c1cccc(C)c1C ZINC000930224373 1128309400 /nfs/dbraw/zinc/30/94/00/1128309400.db2.gz HFDNWHGQGRATAN-RYUDHWBXSA-N 0 1 275.421 3.875 20 0 CHADMN CCC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000171682294 1128314647 /nfs/dbraw/zinc/31/46/47/1128314647.db2.gz YHJNGMNNPSBOBH-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN CCCN(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000171682294 1128314649 /nfs/dbraw/zinc/31/46/49/1128314649.db2.gz YHJNGMNNPSBOBH-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN CCCN(Cc1ncc(-c2ccccc2)o1)C1CC1 ZINC000171681880 1128314965 /nfs/dbraw/zinc/31/49/65/1128314965.db2.gz MRYOTFOIYTVXMM-UHFFFAOYSA-N 0 1 256.349 3.716 20 0 CHADMN Cc1ncc(CN2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)o1 ZINC000930485781 1128321547 /nfs/dbraw/zinc/32/15/47/1128321547.db2.gz GNZDYRNVSQOMNT-INIZCTEOSA-N 0 1 296.374 3.505 20 0 CHADMN CCC(C)(C)C1CCC(N2CCC(=O)[C@H](F)CC2)CC1 ZINC001257405339 1128316934 /nfs/dbraw/zinc/31/69/34/1128316934.db2.gz GJJYYGHVZINMCS-YMAMQOFZSA-N 0 1 283.431 3.984 20 0 CHADMN Cc1cnc(F)c(CN(C)CC2CCCCC2)c1 ZINC001235337826 1128324441 /nfs/dbraw/zinc/32/44/41/1128324441.db2.gz HHIIGUNXFBQFAJ-UHFFFAOYSA-N 0 1 250.361 3.541 20 0 CHADMN CN(Cc1c(F)cccc1F)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000930580418 1128326379 /nfs/dbraw/zinc/32/63/79/1128326379.db2.gz GYHAWGKQOUCSEG-YHPBZONMSA-N 0 1 287.300 3.688 20 0 CHADMN Cc1ccc2nc(NC(=O)C(C)(C)C(C)(C)C)[nH]c2c1 ZINC000561502600 1128333911 /nfs/dbraw/zinc/33/39/11/1128333911.db2.gz PJTFSOGLGOIZIF-UHFFFAOYSA-N 0 1 273.380 3.882 20 0 CHADMN C[C@@]1(F)CCCN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000930595454 1128326937 /nfs/dbraw/zinc/32/69/37/1128326937.db2.gz QHQRUPQRDATOKL-RBSFLKMASA-N 0 1 283.337 3.859 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CCSC2(CCC2)CC1 ZINC000930710688 1128331644 /nfs/dbraw/zinc/33/16/44/1128331644.db2.gz GIRDSFGBJXHHEU-LBPRGKRZSA-N 0 1 280.412 3.643 20 0 CHADMN C[C@@H]1CCC[C@@H](C(=O)Nc2cc(Cl)c(O)cc2F)C1 ZINC000561652328 1128343746 /nfs/dbraw/zinc/34/37/46/1128343746.db2.gz XZEIYZBQGHUXSF-RKDXNWHRSA-N 0 1 285.746 3.950 20 0 CHADMN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1[nH]nc2ccccc21 ZINC000561658413 1128345136 /nfs/dbraw/zinc/34/51/36/1128345136.db2.gz QXOJSSBNBFYTDI-STQMWFEESA-N 0 1 299.418 3.850 20 0 CHADMN FC(F)(F)C1CCC(CN2CCn3cccc3C2)CC1 ZINC000932526528 1128413286 /nfs/dbraw/zinc/41/32/86/1128413286.db2.gz VOFLTTPRSRDMEK-UHFFFAOYSA-N 0 1 286.341 3.672 20 0 CHADMN CCCCC[C@@H]1CCCCN1Cc1noc2c1COCC2 ZINC000931066686 1128345991 /nfs/dbraw/zinc/34/59/91/1128345991.db2.gz KVIHBLZEHKKODJ-CQSZACIVSA-N 0 1 292.423 3.682 20 0 CHADMN C[C@H]1CN([C@H]2CCCc3ccc(F)cc32)Cc2c[nH]nc21 ZINC000931460859 1128362711 /nfs/dbraw/zinc/36/27/11/1128362711.db2.gz NKEVWTCCWRWCBO-ZBEGNZNMSA-N 0 1 285.366 3.546 20 0 CHADMN Cc1nnsc1[C@@H](C)N1CCC2(CCSCC2)CC1 ZINC000931465485 1128363285 /nfs/dbraw/zinc/36/32/85/1128363285.db2.gz QKAHTKNBYVETOJ-GFCCVEGCSA-N 0 1 297.493 3.517 20 0 CHADMN CC(C)c1nsc(CN[C@H](C)[C@@]23C[C@@H]2CCCC3)n1 ZINC000931470529 1128363563 /nfs/dbraw/zinc/36/35/63/1128363563.db2.gz MNLGKVKCZPWGTO-TYNCELHUSA-N 0 1 279.453 3.720 20 0 CHADMN COc1ccc(CN[C@H](C)c2c(C)noc2C)cc1Cl ZINC000090715237 1128368040 /nfs/dbraw/zinc/36/80/40/1128368040.db2.gz PBMCOLORMNLVAN-SECBINFHSA-N 0 1 294.782 3.804 20 0 CHADMN C(=C\c1ccccc1)\CCN1CCc2nc[nH]c2C12CCC2 ZINC000931680017 1128375454 /nfs/dbraw/zinc/37/54/54/1128375454.db2.gz KRBGUWJFLNRKEY-WTKPLQERSA-N 0 1 293.414 3.751 20 0 CHADMN Fc1cccc(CNCc2ccc(Cl)s2)c1 ZINC000034938908 1128381154 /nfs/dbraw/zinc/38/11/54/1128381154.db2.gz PMXDMYPVDLSGFM-UHFFFAOYSA-N 0 1 255.745 3.830 20 0 CHADMN C[C@@H](c1ccncc1)[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931914085 1128387433 /nfs/dbraw/zinc/38/74/33/1128387433.db2.gz JELNQRHVIBKIHF-JQWIXIFHSA-N 0 1 288.288 3.509 20 0 CHADMN Cc1nc([C@H]2CCN([C@@H](C)c3ccc(Cl)cc3)C2)no1 ZINC000931936516 1128388439 /nfs/dbraw/zinc/38/84/39/1128388439.db2.gz OOWDSKSPIHKIAS-GWCFXTLKSA-N 0 1 291.782 3.582 20 0 CHADMN Clc1cccnc1CN1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931923416 1128388476 /nfs/dbraw/zinc/38/84/76/1128388476.db2.gz OJUJYUBOYGJFBF-WMLDXEAASA-N 0 1 284.790 3.509 20 0 CHADMN C[C@@H](C[C@H]1CCOC1)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000798936965 1128392036 /nfs/dbraw/zinc/39/20/36/1128392036.db2.gz IXSVONZGPLSFRC-QWHCGFSZSA-N 0 1 296.842 3.629 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1ccc(Cl)cn1 ZINC000562263935 1128392065 /nfs/dbraw/zinc/39/20/65/1128392065.db2.gz OSPZDOUJQYNSNC-LBPRGKRZSA-N 0 1 260.768 3.928 20 0 CHADMN CC[C@H](C)[C@@H](C)N(C(=O)c1cccc(F)c1O)C1CC1 ZINC000932048640 1128393812 /nfs/dbraw/zinc/39/38/12/1128393812.db2.gz PFDMWWVBFPGMFH-WDEREUQCSA-N 0 1 279.355 3.571 20 0 CHADMN CC(C)(C)OC[C@H]1CCCN1Cc1cccnc1Cl ZINC000932164588 1128397451 /nfs/dbraw/zinc/39/74/51/1128397451.db2.gz XYAOLNASEJGZMJ-CYBMUJFWSA-N 0 1 282.815 3.515 20 0 CHADMN C[C@@H]1CC[C@@H](C[NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000328156905 1128403252 /nfs/dbraw/zinc/40/32/52/1128403252.db2.gz UKOQCXJNXUDQHJ-GHMZBOCLSA-N 0 1 253.773 3.571 20 0 CHADMN c1cnc([C@H](NCCSC2CCCCC2)C2CC2)nc1 ZINC000932356651 1128405292 /nfs/dbraw/zinc/40/52/92/1128405292.db2.gz QVLSCUVUNVPIHZ-OAHLLOKOSA-N 0 1 291.464 3.583 20 0 CHADMN COC(C)(C)[C@H](C)NCc1nc(-c2ccccc2)oc1C ZINC000932368379 1128406101 /nfs/dbraw/zinc/40/61/01/1128406101.db2.gz WUGKJUPXPKCGJK-ZDUSSCGKSA-N 0 1 288.391 3.553 20 0 CHADMN Cc1cc(CN[C@H](c2ccccn2)C2CC2)cc(Cl)n1 ZINC000932386150 1128407148 /nfs/dbraw/zinc/40/71/48/1128407148.db2.gz OJTQWDOHMJVGLG-INIZCTEOSA-N 0 1 287.794 3.679 20 0 CHADMN Fc1cccc(CN(Cc2cccnc2)C2CCC2)c1 ZINC000932404576 1128408361 /nfs/dbraw/zinc/40/83/61/1128408361.db2.gz KDBRHNBRDGKRPV-UHFFFAOYSA-N 0 1 270.351 3.775 20 0 CHADMN C[C@@H](NC[C@@H]1C[C@H]1c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000562686952 1128418039 /nfs/dbraw/zinc/41/80/39/1128418039.db2.gz AMLFLDGIUSWLPF-SNPRPXQTSA-N 0 1 299.418 3.821 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cccc(O)c2)cc1F ZINC000037074650 1128410843 /nfs/dbraw/zinc/41/08/43/1128410843.db2.gz DXSSJKQOHYDEDT-NEPJUHHUSA-N 0 1 289.350 3.952 20 0 CHADMN Cc1nsc(C)c1CN(Cc1ccccn1)CC(C)C ZINC000932448408 1128411029 /nfs/dbraw/zinc/41/10/29/1128411029.db2.gz PDUVFHYZSUTUCE-UHFFFAOYSA-N 0 1 289.448 3.813 20 0 CHADMN CC(F)(F)CCN1CC[C@@](F)(c2ccccc2)C1 ZINC000562709342 1128418854 /nfs/dbraw/zinc/41/88/54/1128418854.db2.gz CMRJPJUXRZTZMI-AWEZNQCLSA-N 0 1 257.299 3.602 20 0 CHADMN CC[C@H](C)N1Cc2cc(Br)ccc2C[C@H]1C ZINC001257448304 1128427022 /nfs/dbraw/zinc/42/70/22/1128427022.db2.gz RQTIBRWIXMVSSI-WDEREUQCSA-N 0 1 282.225 3.994 20 0 CHADMN CSCCSc1nc2ccc(Cl)cc2[nH]1 ZINC000916602558 1128428142 /nfs/dbraw/zinc/42/81/42/1128428142.db2.gz WYZSKPLPBOYWPD-UHFFFAOYSA-N 0 1 258.799 3.671 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCC(C)CC1 ZINC000037386211 1128431619 /nfs/dbraw/zinc/43/16/19/1128431619.db2.gz IMRQWJDTDVPJAS-UHFFFAOYSA-N 0 1 275.392 3.520 20 0 CHADMN Cc1ccc2nc(SC[C@@H]3CCCC[C@H]3O)[nH]c2c1 ZINC000328532694 1128432890 /nfs/dbraw/zinc/43/28/90/1128432890.db2.gz YMUNNUBNNJUHQD-SMDDNHRTSA-N 0 1 276.405 3.515 20 0 CHADMN Oc1cccc(CN2CCCc3ccccc3C2)c1Cl ZINC000328505758 1128433075 /nfs/dbraw/zinc/43/30/75/1128433075.db2.gz ZQXSMBBJGGGIIJ-UHFFFAOYSA-N 0 1 287.790 3.994 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN(C)C[C@@H](C)CC ZINC000037641757 1128433863 /nfs/dbraw/zinc/43/38/63/1128433863.db2.gz BGTPBGGPWIPGOT-ZDUSSCGKSA-N 0 1 277.408 3.766 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933395453 1128435002 /nfs/dbraw/zinc/43/50/02/1128435002.db2.gz KVIUMXQMJDZPPK-SNVBAGLBSA-N 0 1 294.757 3.773 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N(C)Cc1cccc(=O)[nH]1 ZINC000933395453 1128435007 /nfs/dbraw/zinc/43/50/07/1128435007.db2.gz KVIUMXQMJDZPPK-SNVBAGLBSA-N 0 1 294.757 3.773 20 0 CHADMN Oc1c(F)cc(F)c(-c2ncccc2C(F)F)c1F ZINC001235991868 1128436189 /nfs/dbraw/zinc/43/61/89/1128436189.db2.gz YMFRCVWJRIUFNU-UHFFFAOYSA-N 0 1 275.176 3.809 20 0 CHADMN C[C@@H](NCc1cccc(Cl)n1)c1ccc2c(c1)CCO2 ZINC000933491682 1128436251 /nfs/dbraw/zinc/43/62/51/1128436251.db2.gz RFRRYZSJUSFQKL-LLVKDONJSA-N 0 1 288.778 3.521 20 0 CHADMN Cc1cccc(C)c1CN(C)Cc1cnc(C2CC2)o1 ZINC000933762879 1128442753 /nfs/dbraw/zinc/44/27/53/1128442753.db2.gz IRYUOEQTGMAGNG-UHFFFAOYSA-N 0 1 270.376 3.801 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(Br)cs1 ZINC000125697635 1128451782 /nfs/dbraw/zinc/45/17/82/1128451782.db2.gz MURMEIHLUPIVJQ-DTWKUNHWSA-N 0 1 274.227 3.741 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1cc(Br)cs1 ZINC000125697635 1128451784 /nfs/dbraw/zinc/45/17/84/1128451784.db2.gz MURMEIHLUPIVJQ-DTWKUNHWSA-N 0 1 274.227 3.741 20 0 CHADMN CC[C@@H]1CCN(Cc2ncc(-c3cccs3)o2)C1 ZINC000125475122 1128449859 /nfs/dbraw/zinc/44/98/59/1128449859.db2.gz NBYBKVLTTAFBLU-LLVKDONJSA-N 0 1 262.378 3.635 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2occc2C)cc1 ZINC000125826219 1128454890 /nfs/dbraw/zinc/45/48/90/1128454890.db2.gz DQFQEFCGNBABNL-CYBMUJFWSA-N 0 1 259.349 3.790 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc(F)c1O ZINC000934338545 1128458326 /nfs/dbraw/zinc/45/83/26/1128458326.db2.gz XGCYMIVGMGEVTQ-JSGCOSHPSA-N 0 1 299.345 3.550 20 0 CHADMN CCn1cc(CN(C)[C@H](C)c2cc3ccccc3o2)cn1 ZINC000126009328 1128460388 /nfs/dbraw/zinc/46/03/88/1128460388.db2.gz ZABKKIIWZPOCTL-CYBMUJFWSA-N 0 1 283.375 3.842 20 0 CHADMN C[C@H](c1cc2ccccc2o1)N(C)Cc1cccn1C ZINC000126037949 1128461072 /nfs/dbraw/zinc/46/10/72/1128461072.db2.gz SKYLEVPNHSSSNN-CYBMUJFWSA-N 0 1 268.360 3.964 20 0 CHADMN Cc1n[nH]c(C)c1CN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000126040076 1128461099 /nfs/dbraw/zinc/46/10/99/1128461099.db2.gz YERVQKBIDXVSBM-ZDUSSCGKSA-N 0 1 283.375 3.966 20 0 CHADMN Cc1n[nH]cc1CN(C)[C@H](C)c1cc2ccccc2o1 ZINC000126041356 1128461245 /nfs/dbraw/zinc/46/12/45/1128461245.db2.gz BNFDVAHRJFQTJW-GFCCVEGCSA-N 0 1 269.348 3.657 20 0 CHADMN COc1cc([C@H](C)NCc2cnoc2C)cc2ccccc21 ZINC000934636350 1128464924 /nfs/dbraw/zinc/46/49/24/1128464924.db2.gz SBQDCMMLBXEFKN-LBPRGKRZSA-N 0 1 296.370 3.996 20 0 CHADMN CSCC(C)(C)NCc1ncc(-c2ccccc2C)o1 ZINC000934676138 1128465624 /nfs/dbraw/zinc/46/56/24/1128465624.db2.gz SLTHXFWGWBMXMQ-UHFFFAOYSA-N 0 1 290.432 3.881 20 0 CHADMN CSCC(C)(C)NCc1ncc(Cl)cc1Cl ZINC000934666715 1128465731 /nfs/dbraw/zinc/46/57/31/1128465731.db2.gz JAXBYGNPACEPHT-UHFFFAOYSA-N 0 1 279.236 3.620 20 0 CHADMN Clc1ccccc1CN[C@@H](c1ccncc1)C1CC1 ZINC000934682137 1128466004 /nfs/dbraw/zinc/46/60/04/1128466004.db2.gz GBJDCFKTHNOCRI-MRXNPFEDSA-N 0 1 272.779 3.976 20 0 CHADMN CSCC(C)(C)NCc1c(Cl)cncc1Cl ZINC000934663344 1128466061 /nfs/dbraw/zinc/46/60/61/1128466061.db2.gz LIHNNTFTRQVJCH-UHFFFAOYSA-N 0 1 279.236 3.620 20 0 CHADMN C[C@H]1CCN(Cc2noc(-c3ccsc3)n2)C[C@H](C)C1 ZINC000127084185 1128472446 /nfs/dbraw/zinc/47/24/46/1128472446.db2.gz KAQVHWFRKCVFAK-NWDGAFQWSA-N 0 1 291.420 3.666 20 0 CHADMN CC(C)Oc1ccccc1CSc1nc(C2CC2)n[nH]1 ZINC000127183291 1128473433 /nfs/dbraw/zinc/47/34/33/1128473433.db2.gz HWOMBXIDEUCSCL-UHFFFAOYSA-N 0 1 289.404 3.762 20 0 CHADMN CC(C)Oc1ccccc1CSc1n[nH]c(C2CC2)n1 ZINC000127183291 1128473436 /nfs/dbraw/zinc/47/34/36/1128473436.db2.gz HWOMBXIDEUCSCL-UHFFFAOYSA-N 0 1 289.404 3.762 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@@H]2NCc1cccc(C)n1 ZINC000127231676 1128473786 /nfs/dbraw/zinc/47/37/86/1128473786.db2.gz FIDVJJUTASOJKJ-KRWDZBQOSA-N 0 1 282.387 3.702 20 0 CHADMN C[C@]1(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C=CCC1 ZINC000935111838 1128479451 /nfs/dbraw/zinc/47/94/51/1128479451.db2.gz WGMGKELLWDCYNU-HNNXBMFYSA-N 0 1 291.301 3.795 20 0 CHADMN Cc1cn[nH]c1CSc1ncc(C(C)C)n1C(C)C ZINC000917086435 1128479591 /nfs/dbraw/zinc/47/95/91/1128479591.db2.gz BIUABUZHXLXPSQ-UHFFFAOYSA-N 0 1 278.425 3.911 20 0 CHADMN C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000563748606 1128477442 /nfs/dbraw/zinc/47/74/42/1128477442.db2.gz KMOACPWWIQBXHK-CZUORRHYSA-N 0 1 297.402 3.727 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H](C)c1ccccc1C ZINC000935197848 1128482308 /nfs/dbraw/zinc/48/23/08/1128482308.db2.gz UWPKYYPXYQQWRS-SECBINFHSA-N 0 1 293.317 3.706 20 0 CHADMN CCC[C@@H](C)CC[C@@H](C)NC1(c2ncccn2)CC1 ZINC001257476990 1128484504 /nfs/dbraw/zinc/48/45/04/1128484504.db2.gz RRVQQIJKEWEYSS-ZIAGYGMSSA-N 0 1 261.413 3.660 20 0 CHADMN CC(C)(C)CCCN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000127961032 1128485029 /nfs/dbraw/zinc/48/50/29/1128485029.db2.gz PIHCJGPAXFADQW-OAHLLOKOSA-N 0 1 271.408 3.915 20 0 CHADMN C[C@@H](c1ccncc1)N(C)Cc1ccc(OC(F)F)cc1 ZINC000067715580 1128487355 /nfs/dbraw/zinc/48/73/55/1128487355.db2.gz IZVUYXMPGXZTNR-LBPRGKRZSA-N 0 1 292.329 3.876 20 0 CHADMN Cc1oc([C@H](C)[N@@H+](C)Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC000563966025 1128487723 /nfs/dbraw/zinc/48/77/23/1128487723.db2.gz GETPLBQDDJXROK-JTQLQIEISA-N 0 1 291.322 3.618 20 0 CHADMN Cc1cccn2cc(CNC/C=C/c3ccc(F)cc3)nc12 ZINC000128220634 1128488801 /nfs/dbraw/zinc/48/88/01/1128488801.db2.gz RYTXYSMPLIIRRT-GORDUTHDSA-N 0 1 295.361 3.585 20 0 CHADMN CC(C)c1cccc(NC(=O)Cc2n[nH]c3ccccc23)c1 ZINC000128324696 1128492106 /nfs/dbraw/zinc/49/21/06/1128492106.db2.gz FDVUAPALHBWEFC-UHFFFAOYSA-N 0 1 293.370 3.868 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C[C@H]1CC=CCC1 ZINC000935614015 1128496121 /nfs/dbraw/zinc/49/61/21/1128496121.db2.gz OXVQTEXPYUSYOL-LBPRGKRZSA-N 0 1 269.348 3.556 20 0 CHADMN Cc1nc([C@H]2CCCN2CCc2cccc(C)n2)cs1 ZINC000564208381 1128498330 /nfs/dbraw/zinc/49/83/30/1128498330.db2.gz VCOKWVGBJPCWBT-MRXNPFEDSA-N 0 1 287.432 3.535 20 0 CHADMN CCC[C@H](C)CC[C@H](C)N1CC(N2CCC(F)(F)C2)C1 ZINC001257482526 1128498718 /nfs/dbraw/zinc/49/87/18/1128498718.db2.gz RUVSDVIVZHNVSH-KBPBESRZSA-N 0 1 288.426 3.617 20 0 CHADMN Cc1cccc(N2CCN([C@@H](C)c3ccccn3)CC2)c1C ZINC000128514579 1128501233 /nfs/dbraw/zinc/50/12/33/1128501233.db2.gz YOIOSKZWGBMUFQ-KRWDZBQOSA-N 0 1 295.430 3.582 20 0 CHADMN Clc1ccc(-c2n[nH]c(SCC3CC3)n2)cc1 ZINC000128727150 1128512969 /nfs/dbraw/zinc/51/29/69/1128512969.db2.gz ACCZGLPWKYSXJY-UHFFFAOYSA-N 0 1 265.769 3.627 20 0 CHADMN Cc1cnccc1CCN(C)[C@@H](C)c1c(F)cccc1F ZINC000564911414 1128517264 /nfs/dbraw/zinc/51/72/64/1128517264.db2.gz XTOUHODJLRMMCB-ZDUSSCGKSA-N 0 1 290.357 3.904 20 0 CHADMN CCN(Cc1c2ccccc2[nH]c1C(C)(C)C)C1COC1 ZINC001138313025 1128517360 /nfs/dbraw/zinc/51/73/60/1128517360.db2.gz KLYYOUPEKSJDDK-UHFFFAOYSA-N 0 1 286.419 3.686 20 0 CHADMN C[C@@H]1CC[N@@H+](CC2CCC(C(C)(C)C)CC2)C[C@H]1C(=O)[O-] ZINC000564968495 1128517452 /nfs/dbraw/zinc/51/74/52/1128517452.db2.gz WZLSYVHZWBJILS-PRLABOORSA-N 0 1 295.467 3.882 20 0 CHADMN C/C=C\C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000917757019 1128517894 /nfs/dbraw/zinc/51/78/94/1128517894.db2.gz QPUWTGYHWODUGQ-RQOWECAXSA-N 0 1 295.317 3.884 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2cnc3ccsc3c2)n1 ZINC000068691882 1128519786 /nfs/dbraw/zinc/51/97/86/1128519786.db2.gz ZRHXEKGVOOPQOR-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2ccc3[nH]ccc3c2)n[nH]1 ZINC000565218520 1128521808 /nfs/dbraw/zinc/52/18/08/1128521808.db2.gz RPAGFDCMQIMHEW-NWDGAFQWSA-N 0 1 297.406 3.650 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccnc(Cl)c1Cl ZINC001212230377 1128522610 /nfs/dbraw/zinc/52/26/10/1128522610.db2.gz SWAXRWZAPQZAFP-UHFFFAOYSA-N 0 1 293.157 3.618 20 0 CHADMN Cc1ncncc1[C@@H](C)NCc1ccc(C(C)C)cc1 ZINC000565373413 1128525596 /nfs/dbraw/zinc/52/55/96/1128525596.db2.gz PFNQTAVKEXNRAG-CYBMUJFWSA-N 0 1 269.392 3.759 20 0 CHADMN CC(=O)c1cc(CN2C[C@@H](c3ccc(C)cc3)C[C@H]2C)on1 ZINC000565607154 1128528896 /nfs/dbraw/zinc/52/88/96/1128528896.db2.gz NYBNAAPOGLLPKK-CJNGLKHVSA-N 0 1 298.386 3.564 20 0 CHADMN Cc1ccc([C@@H]2CSCC[N@H+]2Cc2ccncc2C)cc1 ZINC000565697354 1128531337 /nfs/dbraw/zinc/53/13/37/1128531337.db2.gz SMMGJQCBKUZIAE-SFHVURJKSA-N 0 1 298.455 3.989 20 0 CHADMN Cc1ccc([C@@H]2CSCCN2Cc2ccncc2C)cc1 ZINC000565697354 1128531339 /nfs/dbraw/zinc/53/13/39/1128531339.db2.gz SMMGJQCBKUZIAE-SFHVURJKSA-N 0 1 298.455 3.989 20 0 CHADMN CCN(C(=O)c1cc(-c2ccoc2)n[nH]1)c1ccc(C)cc1 ZINC000918070263 1128532311 /nfs/dbraw/zinc/53/23/11/1128532311.db2.gz XRRTXBVLUFIDSR-UHFFFAOYSA-N 0 1 295.342 3.645 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000565744287 1128532398 /nfs/dbraw/zinc/53/23/98/1128532398.db2.gz RPVMXNYUHDCTGR-KCXAZCMYSA-N 0 1 277.383 3.776 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2ccco2)cc1F ZINC000069069470 1128533178 /nfs/dbraw/zinc/53/31/78/1128533178.db2.gz JZMRSQVQNHMJRQ-LLVKDONJSA-N 0 1 263.312 3.620 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cccc(Cl)c3)[nH]c2c1 ZINC000565969483 1128535609 /nfs/dbraw/zinc/53/56/09/1128535609.db2.gz XZRATFDJQVIAJK-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN CC(C)c1ccc(-c2nc([C@@H](N)C(C)C)no2)cc1 ZINC000041123370 1128537003 /nfs/dbraw/zinc/53/70/03/1128537003.db2.gz WCSHACLAZKAZRI-ZDUSSCGKSA-N 0 1 259.353 3.516 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+](CC)CC(CC)CC ZINC000566358443 1128542607 /nfs/dbraw/zinc/54/26/07/1128542607.db2.gz IIVDTPVLRIVSSC-UHFFFAOYSA-N 0 1 281.396 3.798 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000566358765 1128542751 /nfs/dbraw/zinc/54/27/51/1128542751.db2.gz LROUNHJSIJMZMQ-AWEZNQCLSA-N 0 1 279.380 3.842 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])CC1 ZINC000566359672 1128542962 /nfs/dbraw/zinc/54/29/62/1128542962.db2.gz LLDXIMPOESAGDW-LLVKDONJSA-N 0 1 281.783 3.660 20 0 CHADMN CC(C)(C)C[C@H]1CCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000566358309 1128542978 /nfs/dbraw/zinc/54/29/78/1128542978.db2.gz HEVGJERILGVOIT-GFCCVEGCSA-N 0 1 281.421 3.847 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)N[C@H]2CCC2(C)C)n1 ZINC000566429767 1128544482 /nfs/dbraw/zinc/54/44/82/1128544482.db2.gz ZMNFWELFFRYSEF-OCCSQVGLSA-N 0 1 285.391 3.884 20 0 CHADMN Cc1cc(CN[C@H]2c3ccc(F)cc3O[C@@H]2C)ccc1F ZINC000567271064 1128561699 /nfs/dbraw/zinc/56/16/99/1128561699.db2.gz ACOLGFMBXXNMNO-PIGZYNQJSA-N 0 1 289.325 3.885 20 0 CHADMN COc1cc([C@@H](C)N[C@H]2CSc3ccccc32)ccn1 ZINC000567224745 1128560599 /nfs/dbraw/zinc/56/05/99/1128560599.db2.gz WKZFOJXTDWFEGL-RISCZKNCSA-N 0 1 286.400 3.588 20 0 CHADMN Cc1cnccc1CN1CC(Cc2ccccc2Cl)C1 ZINC000567235132 1128560787 /nfs/dbraw/zinc/56/07/87/1128560787.db2.gz MQPAEIDLLINAAI-UHFFFAOYSA-N 0 1 286.806 3.718 20 0 CHADMN C[C@H](N[C@@H]1CCCCc2ccccc21)c1ccncn1 ZINC000566660899 1128548687 /nfs/dbraw/zinc/54/86/87/1128548687.db2.gz XXTQSIDHSFBMTA-SUMWQHHRSA-N 0 1 267.376 3.595 20 0 CHADMN CC[C@@H](C)n1ncc(NCc2ccc3nc[nH]c3c2)c1C ZINC000566772477 1128551250 /nfs/dbraw/zinc/55/12/50/1128551250.db2.gz CEMMREQKAFGXOP-LLVKDONJSA-N 0 1 283.379 3.651 20 0 CHADMN CC[C@H](c1ccccc1OC)N(C)Cc1ccncc1C ZINC000566836958 1128552230 /nfs/dbraw/zinc/55/22/30/1128552230.db2.gz KLVWLLKKTCRVCI-QGZVFWFLSA-N 0 1 284.403 3.982 20 0 CHADMN Cc1noc(C[C@@H](NCc2ccsc2)c2ccccc2)n1 ZINC000566891993 1128553622 /nfs/dbraw/zinc/55/36/22/1128553622.db2.gz WYTNDKXAJJWJRD-OAHLLOKOSA-N 0 1 299.399 3.513 20 0 CHADMN CCc1ccc(CN2CCC[C@H]2c2cccc(C)n2)cn1 ZINC000567000276 1128555618 /nfs/dbraw/zinc/55/56/18/1128555618.db2.gz UQQUDNRNUBLTCI-SFHVURJKSA-N 0 1 281.403 3.685 20 0 CHADMN Cc1cccc(CCC(=O)Nc2nc3ccc(F)cc3[nH]2)c1 ZINC000567325290 1128562536 /nfs/dbraw/zinc/56/25/36/1128562536.db2.gz INWILDNIKCENHQ-UHFFFAOYSA-N 0 1 297.333 3.582 20 0 CHADMN CCc1ccccc1CNCc1cc(OC)ccc1F ZINC000567321995 1128562561 /nfs/dbraw/zinc/56/25/61/1128562561.db2.gz WECKPOAMODOYPL-UHFFFAOYSA-N 0 1 273.351 3.687 20 0 CHADMN Cc1ccc(N(C)C(=O)c2cc(-c3ccoc3)n[nH]2)cc1C ZINC000918662075 1128564065 /nfs/dbraw/zinc/56/40/65/1128564065.db2.gz PCAMPXNBQYGLCU-UHFFFAOYSA-N 0 1 295.342 3.563 20 0 CHADMN CC=CC=CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000918654524 1128564295 /nfs/dbraw/zinc/56/42/95/1128564295.db2.gz WNUXLTRKSUWOBV-SWBALALESA-N 0 1 293.326 3.894 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000567471441 1128565474 /nfs/dbraw/zinc/56/54/74/1128565474.db2.gz LUQXALVOFOFKEN-QLFBSQMISA-N 0 1 269.429 3.636 20 0 CHADMN CCN(Cc1nc(C)c2ccccc2n1)C1CC(C)(C)C1 ZINC000567705083 1128570262 /nfs/dbraw/zinc/57/02/62/1128570262.db2.gz WOUVSXXMFWHXCA-UHFFFAOYSA-N 0 1 283.419 3.949 20 0 CHADMN Cc1cccc2nc(CNC(=O)C[C@H]3CCC[C@H](C)C3)[nH]c21 ZINC000498418102 1128573275 /nfs/dbraw/zinc/57/32/75/1128573275.db2.gz BPRXCTXIINEBOI-JSGCOSHPSA-N 0 1 299.418 3.704 20 0 CHADMN CC[C@H]1CCCCCN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000556285611 1128574218 /nfs/dbraw/zinc/57/42/18/1128574218.db2.gz JMYQFTUVOYESLE-HNNXBMFYSA-N 0 1 297.402 3.872 20 0 CHADMN Cc1ccccc1C[N@@H+](C)CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000568060948 1128576803 /nfs/dbraw/zinc/57/68/03/1128576803.db2.gz UVLOBKYDHSISJU-GOSISDBHSA-N 0 1 297.398 3.685 20 0 CHADMN CC(=O)c1cc(CN(CCC(C)C)CCC(C)C)on1 ZINC000568103952 1128578037 /nfs/dbraw/zinc/57/80/37/1128578037.db2.gz STTYPNFKCOAPFK-UHFFFAOYSA-N 0 1 280.412 3.771 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@@H](CC(F)F)c1ccccc1 ZINC000568239495 1128580249 /nfs/dbraw/zinc/58/02/49/1128580249.db2.gz NGFQTQVRZWJCNA-WFASDCNBSA-N 0 1 291.345 3.832 20 0 CHADMN CCC(C)(C)c1ccc(C[N@@H+](C)[C@@H](C)CC(=O)[O-])cc1 ZINC000568289403 1128581835 /nfs/dbraw/zinc/58/18/35/1128581835.db2.gz ZJKLBIXIEHSFAX-ZDUSSCGKSA-N 0 1 277.408 3.669 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CCC(C)C)CC(=O)[O-] ZINC000568290280 1128581936 /nfs/dbraw/zinc/58/19/36/1128581936.db2.gz FBZDONIHJRJIAE-OAHLLOKOSA-N 0 1 263.381 3.570 20 0 CHADMN O=C([O-])[C@@H](c1ccccc1)[N@H+]1CCCC2(CCCCC2)C1 ZINC000568402701 1128583989 /nfs/dbraw/zinc/58/39/89/1128583989.db2.gz RQDQHYYFURPTCZ-MRXNPFEDSA-N 0 1 287.403 3.859 20 0 CHADMN CSc1ccc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)s1 ZINC000568575090 1128588005 /nfs/dbraw/zinc/58/80/05/1128588005.db2.gz OXYKQTPIXARXGF-OCCSQVGLSA-N 0 1 297.489 3.859 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])CC1(C)C ZINC000568873660 1128593242 /nfs/dbraw/zinc/59/32/42/1128593242.db2.gz CKHQIZOVLBMSAV-LLVKDONJSA-N 0 1 295.810 3.906 20 0 CHADMN CC(C)C[C@H](N)c1noc(CCCSC(C)(C)C)n1 ZINC000842586704 1128593560 /nfs/dbraw/zinc/59/35/60/1128593560.db2.gz WOENYHXLBIXBHK-NSHDSACASA-N 0 1 285.457 3.580 20 0 CHADMN CCC(C)(C)NC(=O)CN1CCCC[C@@H]1c1ccccc1 ZINC000568939791 1128594327 /nfs/dbraw/zinc/59/43/27/1128594327.db2.gz PVQKJQMSRHEBSO-MRXNPFEDSA-N 0 1 288.435 3.518 20 0 CHADMN CCC1(N[C@H](CCc2ccccc2)C(F)F)CCOCC1 ZINC000498651727 1128596981 /nfs/dbraw/zinc/59/69/81/1128596981.db2.gz BHOMHNRLNNMDPS-OAHLLOKOSA-N 0 1 297.389 3.802 20 0 CHADMN Cc1noc([C@@H](C)NCCc2ccc(C(C)(C)C)cc2)n1 ZINC000569024228 1128597168 /nfs/dbraw/zinc/59/71/68/1128597168.db2.gz FICMFHKLFXEUFO-GFCCVEGCSA-N 0 1 287.407 3.569 20 0 CHADMN CCOc1cccc(CN(C)[C@H](C)c2ccco2)c1 ZINC000131023097 1128603594 /nfs/dbraw/zinc/60/35/94/1128603594.db2.gz JBXPLSMBEFQHEQ-CYBMUJFWSA-N 0 1 259.349 3.871 20 0 CHADMN CCC1(CC)CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000556596481 1128607409 /nfs/dbraw/zinc/60/74/09/1128607409.db2.gz PUMSOXOPWDNAIB-UHFFFAOYSA-N 0 1 297.402 3.729 20 0 CHADMN CC[C@H](CSC)N(C)Cc1cc(F)c(F)cc1F ZINC000570248777 1128619055 /nfs/dbraw/zinc/61/90/55/1128619055.db2.gz QPAXSVCBTXEIEG-SNVBAGLBSA-N 0 1 277.355 3.677 20 0 CHADMN CN(Cc1ccc(Cl)cc1)Cc1ccc2c(n1)CCC2 ZINC000556773700 1128621213 /nfs/dbraw/zinc/62/12/13/1128621213.db2.gz NXCKOBNZJYKFBG-UHFFFAOYSA-N 0 1 286.806 3.856 20 0 CHADMN Cc1cnc(CNC/C=C\c2ccc(F)c(F)c2)s1 ZINC000570350743 1128622010 /nfs/dbraw/zinc/62/20/10/1128622010.db2.gz SBCFEYPSTRFWMX-IHWYPQMZSA-N 0 1 280.343 3.533 20 0 CHADMN C[N@H+](Cc1ncccc1[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC000556782379 1128622400 /nfs/dbraw/zinc/62/24/00/1128622400.db2.gz SDYLDKVAKLBULT-WBVHZDCISA-N 0 1 282.387 3.555 20 0 CHADMN C[N@@H+](Cc1ncccc1[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC000556782379 1128622401 /nfs/dbraw/zinc/62/24/01/1128622401.db2.gz SDYLDKVAKLBULT-WBVHZDCISA-N 0 1 282.387 3.555 20 0 CHADMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000570403981 1128622960 /nfs/dbraw/zinc/62/29/60/1128622960.db2.gz YISCVJBHACSXLK-GHMZBOCLSA-N 0 1 281.783 3.659 20 0 CHADMN FC(F)(F)CCN(Cc1ccc2c(n1)CCC2)CC1CC1 ZINC000570415382 1128623685 /nfs/dbraw/zinc/62/36/85/1128623685.db2.gz SYIAPHXCAPBUOR-UHFFFAOYSA-N 0 1 298.352 3.735 20 0 CHADMN CSCc1cnc(C[N@@H+](C2CC2)C2CCCC2)s1 ZINC000556795190 1128624763 /nfs/dbraw/zinc/62/47/63/1128624763.db2.gz OEDXDRZHTBZZOO-UHFFFAOYSA-N 0 1 282.478 3.913 20 0 CHADMN CSCc1cnc(CN(C2CC2)C2CCCC2)s1 ZINC000556795190 1128624768 /nfs/dbraw/zinc/62/47/68/1128624768.db2.gz OEDXDRZHTBZZOO-UHFFFAOYSA-N 0 1 282.478 3.913 20 0 CHADMN C[C@H]1c2ccsc2CCN1Cc1ccc(-c2cc[nH]n2)o1 ZINC000570503436 1128625192 /nfs/dbraw/zinc/62/51/92/1128625192.db2.gz DROHUVWFOCKWLX-NSHDSACASA-N 0 1 299.399 3.851 20 0 CHADMN CC[C@@H](C)N(Cc1snnc1C)Cc1ccccc1 ZINC000570519466 1128625252 /nfs/dbraw/zinc/62/52/52/1128625252.db2.gz FZSULNBHIGHCKP-GFCCVEGCSA-N 0 1 275.421 3.647 20 0 CHADMN CCN(CC(C)C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000131553545 1128627143 /nfs/dbraw/zinc/62/71/43/1128627143.db2.gz IJOCUOMNDOADDF-UHFFFAOYSA-N 0 1 277.412 3.576 20 0 CHADMN Cc1ccc(-c2nnc([C@@H](C)N3CCC[C@H](C)C3)o2)cc1 ZINC000072710321 1128628875 /nfs/dbraw/zinc/62/88/75/1128628875.db2.gz JPRNKNRYFWTJON-UONOGXRCSA-N 0 1 285.391 3.838 20 0 CHADMN COC(=O)c1cc(CN(C)[C@@H](C)c2ccccc2)oc1C ZINC000072712165 1128629015 /nfs/dbraw/zinc/62/90/15/1128629015.db2.gz QUIXCRJEKRKBAR-LBPRGKRZSA-N 0 1 287.359 3.568 20 0 CHADMN Cc1ccc(-c2nnc([C@@H](C)N3CCCCC3)o2)cc1 ZINC000072710238 1128629394 /nfs/dbraw/zinc/62/93/94/1128629394.db2.gz WLKBZSKNIPKAQC-CYBMUJFWSA-N 0 1 271.364 3.592 20 0 CHADMN CCO[C@@H](C)c1nc(CN[C@H]2CCC2(C)C)cs1 ZINC000570694232 1128629644 /nfs/dbraw/zinc/62/96/44/1128629644.db2.gz KNAQZWHEXLZRFQ-JQWIXIFHSA-N 0 1 268.426 3.519 20 0 CHADMN COc1ccncc1CNC1(c2cccc(C)c2)CCCC1 ZINC000570708433 1128630715 /nfs/dbraw/zinc/63/07/15/1128630715.db2.gz CBVHOTYSLPGXQO-UHFFFAOYSA-N 0 1 296.414 3.958 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000571053269 1128635812 /nfs/dbraw/zinc/63/58/12/1128635812.db2.gz GXUOBVWYBOASFO-LBPRGKRZSA-N 0 1 290.190 3.679 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000571053267 1128636192 /nfs/dbraw/zinc/63/61/92/1128636192.db2.gz GXUOBVWYBOASFO-GFCCVEGCSA-N 0 1 290.190 3.679 20 0 CHADMN CC(C)[C@@H]1CC[C@H]1NCc1c(F)cc(F)c(F)c1F ZINC000556876781 1128632020 /nfs/dbraw/zinc/63/20/20/1128632020.db2.gz QXEPTUOZTHMFGP-QPUJVOFHSA-N 0 1 275.289 3.767 20 0 CHADMN CC[C@H]1CCCN(Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000499055499 1128636642 /nfs/dbraw/zinc/63/66/42/1128636642.db2.gz NGCGQSHFDUCRSP-HNNXBMFYSA-N 0 1 297.402 3.891 20 0 CHADMN COCCCOc1ccc(CN[C@@H](C)c2ccoc2)cc1 ZINC000571588226 1128637395 /nfs/dbraw/zinc/63/73/95/1128637395.db2.gz CKIGITNMIWHNPI-AWEZNQCLSA-N 0 1 289.375 3.546 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000072976669 1128637900 /nfs/dbraw/zinc/63/79/00/1128637900.db2.gz CTLFREGWFBETQF-GFCCVEGCSA-N 0 1 285.790 3.728 20 0 CHADMN C[C@H]1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C[C@H]1C ZINC000131942109 1128640152 /nfs/dbraw/zinc/64/01/52/1128640152.db2.gz ROMVSRWGDYSQNU-QWHCGFSZSA-N 0 1 289.423 3.576 20 0 CHADMN C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCCCCC(=O)[O-])C1 ZINC000571931994 1128640526 /nfs/dbraw/zinc/64/05/26/1128640526.db2.gz YFXRGWDYCJCAGJ-CZUORRHYSA-N 0 1 293.382 3.854 20 0 CHADMN CCc1ccc(-c2noc([C@H]3CCCN3C3CC3)n2)cc1 ZINC000571956688 1128640566 /nfs/dbraw/zinc/64/05/66/1128640566.db2.gz MPWRYLNTGQYMSI-OAHLLOKOSA-N 0 1 283.375 3.598 20 0 CHADMN Cc1ccc(C[C@H]2CCCN(Cc3ncc(C)cn3)C2)cc1 ZINC000572184773 1128643288 /nfs/dbraw/zinc/64/32/88/1128643288.db2.gz MAEHGIWTZMJQHQ-GOSISDBHSA-N 0 1 295.430 3.548 20 0 CHADMN CC1(C)CN(Cc2ccc(F)c(F)c2)[C@H]1C1CC1 ZINC000572351960 1128644903 /nfs/dbraw/zinc/64/49/03/1128644903.db2.gz LTECPMMIVGCBOJ-AWEZNQCLSA-N 0 1 251.320 3.585 20 0 CHADMN Cc1ccc(CN2C[C@H](C)[C@@H]2C)c(Br)c1 ZINC000556944493 1128648803 /nfs/dbraw/zinc/64/88/03/1128648803.db2.gz HUCKDENXQGGCAV-QWRGUYRKSA-N 0 1 268.198 3.598 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CCN1Cc1cncc(F)c1 ZINC000572909478 1128649469 /nfs/dbraw/zinc/64/94/69/1128649469.db2.gz USSHVKYOEOKRHR-RHSMWYFYSA-N 0 1 284.378 3.989 20 0 CHADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000572983705 1128650419 /nfs/dbraw/zinc/65/04/19/1128650419.db2.gz ZBXBKNAGYDKGSP-KGLIPLIRSA-N 0 1 297.402 3.519 20 0 CHADMN C[C@@H](CCc1ccccc1)CN1CCOC[C@H]1CC(F)F ZINC000573045357 1128650853 /nfs/dbraw/zinc/65/08/53/1128650853.db2.gz LJESUUNORLIADF-GOEBONIOSA-N 0 1 297.389 3.611 20 0 CHADMN C[C@@H]1CCC[C@H](CCSc2nc(C3CC3)n[nH]2)C1 ZINC000556957274 1128651963 /nfs/dbraw/zinc/65/19/63/1128651963.db2.gz LPEBRFFXPCGKAV-GHMZBOCLSA-N 0 1 265.426 3.991 20 0 CHADMN C[C@@H]1CCC[C@H](CCSc2n[nH]c(C3CC3)n2)C1 ZINC000556957274 1128651966 /nfs/dbraw/zinc/65/19/66/1128651966.db2.gz LPEBRFFXPCGKAV-GHMZBOCLSA-N 0 1 265.426 3.991 20 0 CHADMN CN(Cc1cccnc1)[C@H]1CCCc2ccc(F)cc21 ZINC000132535026 1128653374 /nfs/dbraw/zinc/65/33/74/1128653374.db2.gz LHEKCSZCITTYOQ-KRWDZBQOSA-N 0 1 270.351 3.730 20 0 CHADMN COc1ccnc(CN2CCCCC[C@@H]2c2ccco2)c1 ZINC000132534236 1128653609 /nfs/dbraw/zinc/65/36/09/1128653609.db2.gz PBMAKGSEARLKBJ-MRXNPFEDSA-N 0 1 286.375 3.801 20 0 CHADMN Cc1cc(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)c(C)s1 ZINC000556967545 1128653901 /nfs/dbraw/zinc/65/39/01/1128653901.db2.gz KNTHQGIKAAMJGQ-JKSUJKDBSA-N 0 1 277.433 3.508 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N(C)CC1CCCCC1 ZINC000074158796 1128656739 /nfs/dbraw/zinc/65/67/39/1128656739.db2.gz AYRMZPBOUFRGGX-GFCCVEGCSA-N 0 1 279.428 3.940 20 0 CHADMN Cc1cc(C)c(NC(=O)CN(C(C)C)C2CC2)c(Cl)c1 ZINC000074237491 1128660110 /nfs/dbraw/zinc/66/01/10/1128660110.db2.gz GKIPYSIZTLVPDH-UHFFFAOYSA-N 0 1 294.826 3.768 20 0 CHADMN COc1ccc([C@@H](NCc2nc(C)c(C)[nH]2)C(C)C)cc1 ZINC000574928100 1128664938 /nfs/dbraw/zinc/66/49/38/1128664938.db2.gz JGFMCBZOIINRDC-KRWDZBQOSA-N 0 1 287.407 3.522 20 0 CHADMN COc1cccc(CN(C)[C@@H](C)c2cccnc2)c1C ZINC000930119513 1128666079 /nfs/dbraw/zinc/66/60/79/1128666079.db2.gz OOMUZWPHSHYVDK-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN CCc1cnc(CN(C)C2CCC(F)(F)CC2)s1 ZINC000574122018 1128662388 /nfs/dbraw/zinc/66/23/88/1128662388.db2.gz ZCLRJYGYAWHDPS-UHFFFAOYSA-N 0 1 274.380 3.715 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccnc1)c1ccnc(Cl)c1 ZINC000158530837 1128668874 /nfs/dbraw/zinc/66/88/74/1128668874.db2.gz QDDRZSUVCLUYPT-MNOVXSKESA-N 0 1 261.756 3.542 20 0 CHADMN Cc1c2ccccc2[nH]c1CN1CC2CCC1CC2 ZINC001138402788 1128671589 /nfs/dbraw/zinc/67/15/89/1128671589.db2.gz SGGVXKTYAKITQY-UHFFFAOYSA-N 0 1 254.377 3.851 20 0 CHADMN Cn1c2ccccc2nc1C(C#N)C(=O)C1(C)CCCCC1 ZINC000158768589 1128671603 /nfs/dbraw/zinc/67/16/03/1128671603.db2.gz QTLQJXQODFHQSM-CYBMUJFWSA-N 0 1 295.386 3.720 20 0 CHADMN CCCCc1ccc(N(C)C(=O)c2ncc(C)cc2O)cc1 ZINC000778954269 1128671666 /nfs/dbraw/zinc/67/16/66/1128671666.db2.gz OFFFBANZIXPBIE-UHFFFAOYSA-N 0 1 298.386 3.715 20 0 CHADMN Cc1cc2oc(=O)cc(CN3CC=CCC3)c2cc1C(C)C ZINC000778971944 1128672957 /nfs/dbraw/zinc/67/29/57/1128672957.db2.gz KNHCJGFDTKVORC-UHFFFAOYSA-N 0 1 297.398 3.987 20 0 CHADMN Clc1ccccc1CNCc1cccc2c1NCCC2 ZINC000159299877 1128678582 /nfs/dbraw/zinc/67/85/82/1128678582.db2.gz ABCJQBMKUQBIKG-UHFFFAOYSA-N 0 1 286.806 3.988 20 0 CHADMN Clc1cc(CN2CCC3(CCCO3)CC2)cs1 ZINC001142771359 1128682164 /nfs/dbraw/zinc/68/21/64/1128682164.db2.gz QYSVKIUWVBKQFU-UHFFFAOYSA-N 0 1 271.813 3.547 20 0 CHADMN C[C@@H]1CN(C(=O)c2c(O)cccc2Cl)c2ccccc21 ZINC000920451316 1128682196 /nfs/dbraw/zinc/68/21/96/1128682196.db2.gz ARPZTPXVJOSSNS-SNVBAGLBSA-N 0 1 287.746 3.810 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@H]1NCc1nn(C)c2ccccc12 ZINC000600815640 1128682990 /nfs/dbraw/zinc/68/29/90/1128682990.db2.gz IJTSQNOCTSSUQS-YJYMSZOUSA-N 0 1 291.398 3.596 20 0 CHADMN COc1c(F)cc(CN2CC[C@@H]3CCC[C@@H]3C2)cc1F ZINC001138422226 1128691727 /nfs/dbraw/zinc/69/17/27/1128691727.db2.gz BGQDFRBBVVKUSP-QWHCGFSZSA-N 0 1 281.346 3.595 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc(F)c1O ZINC001127547302 1128694205 /nfs/dbraw/zinc/69/42/05/1128694205.db2.gz BMZGVIKRKYAVPO-BZNIZROVSA-N 0 1 299.345 3.585 20 0 CHADMN COc1c(C)cc(C[N@H+]2CCCC[C@H](F)C2)cc1C ZINC001138425928 1128701722 /nfs/dbraw/zinc/70/17/22/1128701722.db2.gz QPGMSWTUZRPMEM-HNNXBMFYSA-N 0 1 265.372 3.636 20 0 CHADMN COc1c(C)cc(CN2CCCC[C@H](F)C2)cc1C ZINC001138425928 1128701725 /nfs/dbraw/zinc/70/17/25/1128701725.db2.gz QPGMSWTUZRPMEM-HNNXBMFYSA-N 0 1 265.372 3.636 20 0 CHADMN Clc1cnn(CN2CCC[C@@H]2C2CCCCC2)c1 ZINC000921186669 1128702594 /nfs/dbraw/zinc/70/25/94/1128702594.db2.gz JNRTUQFTXZLKPC-CQSZACIVSA-N 0 1 267.804 3.539 20 0 CHADMN C[C@@H](NCc1cc(Cl)ccc1Cl)c1cc[nH]c(=O)c1 ZINC000578030045 1128704482 /nfs/dbraw/zinc/70/44/82/1128704482.db2.gz XOUXDRMRZRTIRQ-SECBINFHSA-N 0 1 297.185 3.945 20 0 CHADMN CCC(C)(C)[C@@H]1CCC[N@H+]1CCCCCC(=O)[O-] ZINC000578076476 1128705630 /nfs/dbraw/zinc/70/56/30/1128705630.db2.gz KHBRYSSXGUUWCF-ZDUSSCGKSA-N 0 1 255.402 3.532 20 0 CHADMN c1ccc(-c2noc(CNC3CC4(C3)CCCCC4)n2)cc1 ZINC000578062089 1128705786 /nfs/dbraw/zinc/70/57/86/1128705786.db2.gz XKOAOXUSRCQAES-UHFFFAOYSA-N 0 1 297.402 3.939 20 0 CHADMN Cc1ccc(-c2noc(-c3ccc(O)c(Cl)c3)n2)o1 ZINC000578111913 1128707383 /nfs/dbraw/zinc/70/73/83/1128707383.db2.gz CLQSYWPRZZLONY-UHFFFAOYSA-N 0 1 276.679 3.664 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1cn2ccsc2n1 ZINC000134441182 1128708273 /nfs/dbraw/zinc/70/82/73/1128708273.db2.gz JFCYSILSFGZAKI-GFCCVEGCSA-N 0 1 271.389 3.555 20 0 CHADMN Cn1cc(CNCc2ccc(F)cc2)c(C2CCCC2)n1 ZINC000921471282 1128710138 /nfs/dbraw/zinc/71/01/38/1128710138.db2.gz ZOGZCWJDGPDUKC-UHFFFAOYSA-N 0 1 287.382 3.507 20 0 CHADMN C[C@@H](NCc1ccnn1C1CCC1)c1ccc(F)c(F)c1 ZINC000921472168 1128710269 /nfs/dbraw/zinc/71/02/69/1128710269.db2.gz YJMGIUVCQCHLIL-LLVKDONJSA-N 0 1 291.345 3.737 20 0 CHADMN Clc1cccc(CNCc2ccnn2C2CCC2)c1 ZINC000921471914 1128710354 /nfs/dbraw/zinc/71/03/54/1128710354.db2.gz RIHWUTYDVWSMGP-UHFFFAOYSA-N 0 1 275.783 3.551 20 0 CHADMN CC(C)C[C@H](C)C[C@H](C)NCc1ncc(Cl)cn1 ZINC001258056505 1128714353 /nfs/dbraw/zinc/71/43/53/1128714353.db2.gz PVPJPUZMHLNBEW-RYUDHWBXSA-N 0 1 269.820 3.680 20 0 CHADMN Cc1cnc(C(C)(C)NC[C@H]2CCC3(CCCC3)O2)s1 ZINC000578477863 1128718512 /nfs/dbraw/zinc/71/85/12/1128718512.db2.gz XTXKYXZWNFPRHD-CYBMUJFWSA-N 0 1 294.464 3.768 20 0 CHADMN CC1(C)CC[C@H]1N[C@H](CO)c1c(Cl)cccc1Cl ZINC000578560024 1128721982 /nfs/dbraw/zinc/72/19/82/1128721982.db2.gz RCSPJMQLBMXBFO-VXGBXAGGSA-N 0 1 288.218 3.805 20 0 CHADMN CC(C)(C)C[C@@H]1CC[N@@H+](Cc2nnc(C3CC3)o2)C1(C)C ZINC000578616358 1128723876 /nfs/dbraw/zinc/72/38/76/1128723876.db2.gz VGFGQJUXTONGGV-ZDUSSCGKSA-N 0 1 291.439 3.984 20 0 CHADMN CC(C)(C)C[C@@H]1CCN(Cc2nnc(C3CC3)o2)C1(C)C ZINC000578616358 1128723878 /nfs/dbraw/zinc/72/38/78/1128723878.db2.gz VGFGQJUXTONGGV-ZDUSSCGKSA-N 0 1 291.439 3.984 20 0 CHADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000578660687 1128724991 /nfs/dbraw/zinc/72/49/91/1128724991.db2.gz QZNOCSVSDXDDCQ-FDQGKXFDSA-N 0 1 287.403 3.633 20 0 CHADMN CC(C)C[C@@H](C)C[C@@H](C)NCc1nccc(OC(C)C)n1 ZINC001258061925 1128725401 /nfs/dbraw/zinc/72/54/01/1128725401.db2.gz IODGEPJHJCJXAZ-HUUCEWRRSA-N 0 1 293.455 3.814 20 0 CHADMN CO[C@@H](C)CN(C)Cc1cnc(C2CCCCC2)s1 ZINC000578819507 1128730409 /nfs/dbraw/zinc/73/04/09/1128730409.db2.gz SEEGUHOXXLYTQI-LBPRGKRZSA-N 0 1 282.453 3.658 20 0 CHADMN C[C@H](NCc1cc(Cl)cc2c1OCC2)c1ccncc1 ZINC000136384087 1128731522 /nfs/dbraw/zinc/73/15/22/1128731522.db2.gz DGHWYZHKGLSMES-NSHDSACASA-N 0 1 288.778 3.521 20 0 CHADMN N#CC(C(=O)Cc1ccsc1)c1ccc2ccccc2n1 ZINC000048852415 1128732591 /nfs/dbraw/zinc/73/25/91/1128732591.db2.gz ZYESKESSULMRNJ-CQSZACIVSA-N 0 1 292.363 3.715 20 0 CHADMN CC(C)Oc1ccccc1CN[C@H](C)c1ccncc1 ZINC000034992761 1117758062 /nfs/dbraw/zinc/75/80/62/1117758062.db2.gz CQWAOBNOWVQQOP-CQSZACIVSA-N 0 1 270.376 3.720 20 0 CHADMN COc1cccc2cc(CN[C@H](C)c3cccnc3)oc21 ZINC000035012993 1117759079 /nfs/dbraw/zinc/75/90/79/1117759079.db2.gz CDAIHRMNZLDCHY-GFCCVEGCSA-N 0 1 282.343 3.687 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1ccccc1N(C)C ZINC000274602620 1117766603 /nfs/dbraw/zinc/76/66/03/1117766603.db2.gz QOOSIDGWEYJNNH-GFCCVEGCSA-N 0 1 290.432 3.674 20 0 CHADMN Cc1cnc(CN[C@H]2CCC[C@H](c3ccccc3)C2)o1 ZINC000683109411 1117771014 /nfs/dbraw/zinc/77/10/14/1117771014.db2.gz DTIIOEYNPMVCFZ-HOTGVXAUSA-N 0 1 270.376 3.799 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@]12CCOC2 ZINC001139887692 1117777862 /nfs/dbraw/zinc/77/78/62/1117777862.db2.gz YEZBADFJQQQXCU-OAHLLOKOSA-N 0 1 299.336 3.769 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1CN1CCC[C@]12CCOC2 ZINC001139887692 1117777865 /nfs/dbraw/zinc/77/78/65/1117777865.db2.gz YEZBADFJQQQXCU-OAHLLOKOSA-N 0 1 299.336 3.769 20 0 CHADMN CCC1CCC([N@@H+](CC2(CC(=O)[O-])CC2)C2CC2)CC1 ZINC000579132574 1128739732 /nfs/dbraw/zinc/73/97/32/1128739732.db2.gz FOSQDXMPLYDLMN-UHFFFAOYSA-N 0 1 279.424 3.675 20 0 CHADMN CCc1cccc(CN(C)Cc2cnccc2C)c1 ZINC000361412100 1117797706 /nfs/dbraw/zinc/79/77/06/1117797706.db2.gz FQNRJNVSFHVSJN-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN Cc1cncc([C@H](C)N[C@H]2COc3c2ccc(C)c3C)c1 ZINC000274671055 1117799065 /nfs/dbraw/zinc/79/90/65/1117799065.db2.gz YAZRQWGIFDCSOP-YOEHRIQHSA-N 0 1 282.387 3.791 20 0 CHADMN Fc1ccccc1CN1CCC(Oc2ccccc2)CC1 ZINC000064794273 1117801239 /nfs/dbraw/zinc/80/12/39/1117801239.db2.gz SPJUXTWBMRWMIM-UHFFFAOYSA-N 0 1 285.362 3.869 20 0 CHADMN Cc1c(CN(C)Cc2ccc(C3CCC3)cc2)cnn1C ZINC000579017207 1128736212 /nfs/dbraw/zinc/73/62/12/1128736212.db2.gz PJFNHAACLYCPJK-UHFFFAOYSA-N 0 1 283.419 3.628 20 0 CHADMN CCN(CCO[C@@H]1CCCC[C@@H]1C)CCC(F)(F)F ZINC000623120680 1117815390 /nfs/dbraw/zinc/81/53/90/1117815390.db2.gz HCCPFBHREMABEZ-QWHCGFSZSA-N 0 1 281.362 3.856 20 0 CHADMN CN(C)Cc1cc(-c2ccc(OC(F)F)nc2)ccc1F ZINC000623169905 1117821183 /nfs/dbraw/zinc/82/11/83/1117821183.db2.gz QOQMOOJCQJYQJM-UHFFFAOYSA-N 0 1 296.292 3.551 20 0 CHADMN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N1CCc2n[nH]cc2C1 ZINC000623242151 1117825222 /nfs/dbraw/zinc/82/52/22/1117825222.db2.gz QNKAUURGNTYWEL-VXGBXAGGSA-N 0 1 289.810 3.613 20 0 CHADMN COc1c(O)cccc1CN(C)C(C)(C)c1ccccc1 ZINC000671309254 1117828181 /nfs/dbraw/zinc/82/81/81/1117828181.db2.gz QTCQBBWVYCDJPN-UHFFFAOYSA-N 0 1 285.387 3.768 20 0 CHADMN COc1cc(CN[C@H](C)c2cc3ccccc3s2)on1 ZINC000660266187 1117830514 /nfs/dbraw/zinc/83/05/14/1117830514.db2.gz OHZKAPSQJMUNOU-SNVBAGLBSA-N 0 1 288.372 3.749 20 0 CHADMN c1ccc(C2=CCCN(Cc3nc4c(s3)CCC4)C2)cc1 ZINC000671311631 1117831645 /nfs/dbraw/zinc/83/16/45/1117831645.db2.gz PXWURSUWSHMWKO-UHFFFAOYSA-N 0 1 296.439 3.921 20 0 CHADMN c1cn(-c2ccccc2)c(NCc2cnc(C3CC3)s2)n1 ZINC000579074036 1128737548 /nfs/dbraw/zinc/73/75/48/1128737548.db2.gz ABBMHAAAXHNQFP-UHFFFAOYSA-N 0 1 296.399 3.818 20 0 CHADMN CC(C)C[C@@H](C)C[C@@H](C)N1CCN(C(=O)C(C)(C)C)CC1 ZINC001258073467 1128737735 /nfs/dbraw/zinc/73/77/35/1128737735.db2.gz CQKNRAUHHCPUPK-HZPDHXFCSA-N 0 1 296.499 3.638 20 0 CHADMN CC(C)[N@@H+](CC[C@@H](C(=O)[O-])c1ccccc1)C1CCCC1 ZINC000579118922 1128738207 /nfs/dbraw/zinc/73/82/07/1128738207.db2.gz FNZLQIIVHXNDSS-QGZVFWFLSA-N 0 1 289.419 3.898 20 0 CHADMN COc1cc(CN(C)Cc2occc2C)ccc1C ZINC000430195233 1117843869 /nfs/dbraw/zinc/84/38/69/1117843869.db2.gz NPLWKEUDUKCVNL-UHFFFAOYSA-N 0 1 259.349 3.537 20 0 CHADMN Cc1cc(CN2C[C@@H](C)C[C@H]2CF)cc(C)c1F ZINC001143374219 1117848099 /nfs/dbraw/zinc/84/80/99/1117848099.db2.gz OZVYWCNHZOCXKY-HZMBPMFUSA-N 0 1 253.336 3.622 20 0 CHADMN c1cc2c(cccc2CNc2cc3c(cn2)CCC3)[nH]1 ZINC000339553981 1117850849 /nfs/dbraw/zinc/85/08/49/1117850849.db2.gz KIRXGPCUNDTSRA-UHFFFAOYSA-N 0 1 263.344 3.664 20 0 CHADMN Fc1cccc2[nH]c(CNc3cc4c(cn3)CCC4)cc21 ZINC000339557549 1117855337 /nfs/dbraw/zinc/85/53/37/1117855337.db2.gz ZKLXMIHFINGNHL-UHFFFAOYSA-N 0 1 281.334 3.803 20 0 CHADMN Fc1ccc(F)c(CN[C@H]2CCCSC2)c1Cl ZINC000623439527 1117857015 /nfs/dbraw/zinc/85/70/15/1117857015.db2.gz NAXGGNRXZLUUEC-QMMMGPOBSA-N 0 1 277.767 3.603 20 0 CHADMN CSC(C)(C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185612730 1117857199 /nfs/dbraw/zinc/85/71/99/1117857199.db2.gz VCZDMZREYQSLRO-SECBINFHSA-N 0 1 273.829 3.838 20 0 CHADMN CCC(CC)(CCO)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185620722 1117858141 /nfs/dbraw/zinc/85/81/41/1117858141.db2.gz ULUUZMMBVZBBMG-LBPRGKRZSA-N 0 1 299.842 3.885 20 0 CHADMN CC[C@H]1CCN1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000430201746 1117858443 /nfs/dbraw/zinc/85/84/43/1117858443.db2.gz ZYSYYIZQBUPBGF-AWEZNQCLSA-N 0 1 275.783 3.510 20 0 CHADMN C[C@@H]([NH2+]C[C@H]1CCCS1)c1cc(Cl)ccc1[O-] ZINC000185697573 1117872698 /nfs/dbraw/zinc/87/26/98/1117872698.db2.gz YQGGZVAGKVUMGT-MWLCHTKSSA-N 0 1 271.813 3.592 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CNCc1ccns1 ZINC000623597630 1117877077 /nfs/dbraw/zinc/87/70/77/1117877077.db2.gz WFMTUTISGPRCTM-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CCC[C@H](CNCc1csc(C(C)(C)C)n1)OCC ZINC000623598059 1117877316 /nfs/dbraw/zinc/87/73/16/1117877316.db2.gz NWFIENLEBBZNKU-CYBMUJFWSA-N 0 1 284.469 3.735 20 0 CHADMN C[C@@H](NCc1cccc(CO)c1)c1ccc2ccccc2n1 ZINC000177842871 1117880691 /nfs/dbraw/zinc/88/06/91/1117880691.db2.gz KLOUWCVZBIAMJU-CQSZACIVSA-N 0 1 292.382 3.578 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C(=O)C3=CCCC3)[nH]c2c1 ZINC000178078197 1117885516 /nfs/dbraw/zinc/88/55/16/1117885516.db2.gz SXLNEHWMCAABCI-MRXNPFEDSA-N 0 1 295.386 3.645 20 0 CHADMN F[C@@H]1CCC[C@H]1NCc1cscc1C(F)(F)F ZINC000339585085 1117888628 /nfs/dbraw/zinc/88/86/28/1117888628.db2.gz SWVNMYIQCLBZFG-NXEZZACHSA-N 0 1 267.291 3.747 20 0 CHADMN C[C@@H]1C[C@H](NCc2ncn(-c3ccccc3)n2)CC(C)(C)C1 ZINC000339582740 1117889059 /nfs/dbraw/zinc/88/90/59/1117889059.db2.gz PYZGUOMXVJPVAO-CABCVRRESA-N 0 1 298.434 3.572 20 0 CHADMN CCC(F)(F)CN[C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000623679195 1117889057 /nfs/dbraw/zinc/88/90/57/1117889057.db2.gz LVLKDXFXJHZJKV-OCCSQVGLSA-N 0 1 268.351 3.743 20 0 CHADMN Cc1ccc(-c2ncc(CN[C@@H]3CCC[C@H]3F)s2)o1 ZINC000339590589 1117892930 /nfs/dbraw/zinc/89/29/30/1117892930.db2.gz QSYWVDLGYLPDCR-VXGBXAGGSA-N 0 1 280.368 3.692 20 0 CHADMN CCc1ccc(COc2ccccc2-c2nnc[nH]2)cc1 ZINC000178927277 1117898114 /nfs/dbraw/zinc/89/81/14/1117898114.db2.gz KQZJAWWUHUSQFW-UHFFFAOYSA-N 0 1 279.343 3.613 20 0 CHADMN Cc1noc([C@@H]2CCCN2CC[C@H](C)CC(C)(C)C)n1 ZINC001208664469 1117902174 /nfs/dbraw/zinc/90/21/74/1117902174.db2.gz MWKVFLRFRCEWRS-JSGCOSHPSA-N 0 1 279.428 3.977 20 0 CHADMN C[C@@H]1CCCN(Cc2csc(C3CC3)n2)CC1 ZINC000179494396 1117906651 /nfs/dbraw/zinc/90/66/51/1117906651.db2.gz NCSSDUWDKFFCNA-LLVKDONJSA-N 0 1 250.411 3.643 20 0 CHADMN CC(=O)c1ccccc1C(=O)Nc1cccc(Cl)c1O ZINC000179724925 1117911892 /nfs/dbraw/zinc/91/18/92/1117911892.db2.gz WNVLQSKATPGKLD-UHFFFAOYSA-N 0 1 289.718 3.501 20 0 CHADMN Cc1occc1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179846569 1117913898 /nfs/dbraw/zinc/91/38/98/1117913898.db2.gz SLTUJNUSANEDQH-UHFFFAOYSA-N 0 1 291.257 3.654 20 0 CHADMN Cc1ccc(-c2cc(-c3nc(-c4ccc(C)o4)no3)[nH]n2)o1 ZINC000350797096 1117917639 /nfs/dbraw/zinc/91/76/39/1117917639.db2.gz VCNHTKQZEGHEJH-UHFFFAOYSA-N 0 1 296.286 3.597 20 0 CHADMN CC/C=C\CCN(Cc1cccnc1)Cc1ccccn1 ZINC001208728447 1117920689 /nfs/dbraw/zinc/92/06/89/1117920689.db2.gz AGHLHPGMAJDCEV-ARJAWSKDSA-N 0 1 281.403 3.835 20 0 CHADMN CC(C)(C)[C@H]1CN(Cc2cc3ccccc3o2)CCO1 ZINC000579313876 1128745213 /nfs/dbraw/zinc/74/52/13/1128745213.db2.gz XUJOSIUGEVKHNU-MRXNPFEDSA-N 0 1 273.376 3.680 20 0 CHADMN C[C@H]1CC=C(c2nc(-c3ccn4cncc4c3)no2)CC1 ZINC000351115826 1117926653 /nfs/dbraw/zinc/92/66/53/1117926653.db2.gz NKHRFPZXYBQQKF-NSHDSACASA-N 0 1 280.331 3.588 20 0 CHADMN Cc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccccc1 ZINC000010310958 1117926805 /nfs/dbraw/zinc/92/68/05/1117926805.db2.gz GPEOQMFGPICOBD-GOSISDBHSA-N 0 1 294.398 3.771 20 0 CHADMN Cc1ccccc1NC(=O)CN1CCC[C@H]1c1ccccc1 ZINC000010310960 1117927493 /nfs/dbraw/zinc/92/74/93/1117927493.db2.gz GPEOQMFGPICOBD-SFHVURJKSA-N 0 1 294.398 3.771 20 0 CHADMN CC[C@@H](CC(C)C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC001625807298 1117929598 /nfs/dbraw/zinc/92/95/98/1117929598.db2.gz VWEVGCRKRXDBKB-NSHDSACASA-N 0 1 259.353 3.574 20 0 CHADMN Cc1cnc(CNCC2(C(F)(F)F)CCCC2)s1 ZINC000623787874 1117932489 /nfs/dbraw/zinc/93/24/89/1117932489.db2.gz DUBYBNYDPYVLNH-UHFFFAOYSA-N 0 1 278.343 3.664 20 0 CHADMN COc1cc(CNCc2ccoc2C)ccc1SC ZINC000069160089 1117932508 /nfs/dbraw/zinc/93/25/08/1117932508.db2.gz XDIAADFMHIFIRE-UHFFFAOYSA-N 0 1 277.389 3.608 20 0 CHADMN CCc1nc(CNCC2(C(F)(F)F)CCCC2)cs1 ZINC000623787278 1117932794 /nfs/dbraw/zinc/93/27/94/1117932794.db2.gz GLJSZFPRFNMMCM-UHFFFAOYSA-N 0 1 292.370 3.918 20 0 CHADMN C[C@H]1CCC[N@@H+](Cn2c3ccccc3n(C)c2=S)CC1 ZINC000748082145 1117933410 /nfs/dbraw/zinc/93/34/10/1117933410.db2.gz GDVWFGPRQHUZBO-ZDUSSCGKSA-N 0 1 289.448 3.789 20 0 CHADMN C[C@H]1CCCN(Cn2c3ccccc3n(C)c2=S)CC1 ZINC000748082145 1117933414 /nfs/dbraw/zinc/93/34/14/1117933414.db2.gz GDVWFGPRQHUZBO-ZDUSSCGKSA-N 0 1 289.448 3.789 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CCc2ccccc2C1 ZINC000615339994 1128744748 /nfs/dbraw/zinc/74/47/48/1128744748.db2.gz HFRCDTJSYMVYND-CYBMUJFWSA-N 0 1 255.336 3.945 20 0 CHADMN CC[C@H](CCC(=O)OC)CN1Cc2cccc(Cl)c2C1 ZINC001208785771 1117934527 /nfs/dbraw/zinc/93/45/27/1117934527.db2.gz IOYOOXJDZLEZLP-GFCCVEGCSA-N 0 1 295.810 3.635 20 0 CHADMN Fc1c(Cl)cccc1CN1CC[C@H](c2ccncc2)C1 ZINC000579310795 1128744892 /nfs/dbraw/zinc/74/48/92/1128744892.db2.gz YDHIDYUUTYOTHD-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCC[C@H]1CC1CCCC1 ZINC000655363619 1117942147 /nfs/dbraw/zinc/94/21/47/1117942147.db2.gz PPDDZKQFDYOQGS-ZDUSSCGKSA-N 0 1 291.366 3.716 20 0 CHADMN CCCc1cc(C(=O)N2CCC[C@@H]2CC2CCCC2)n[nH]1 ZINC000655367660 1117944359 /nfs/dbraw/zinc/94/43/59/1117944359.db2.gz PECXHDZJOQNMOE-OAHLLOKOSA-N 0 1 289.423 3.547 20 0 CHADMN CC(C)COC[C@H](N[C@H](C)[C@H]1CCCCO1)c1ccco1 ZINC000623882846 1117947698 /nfs/dbraw/zinc/94/76/98/1117947698.db2.gz KSIMYZWCMUHTLX-OWCLPIDISA-N 0 1 295.423 3.541 20 0 CHADMN Cc1ccnc(CN2CCCCC[C@@H]2c2ccccc2)n1 ZINC000339652754 1117948196 /nfs/dbraw/zinc/94/81/96/1117948196.db2.gz QDYLDLNNAGHNBZ-QGZVFWFLSA-N 0 1 281.403 3.902 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCCN[C@H]1CCCc2scnc21 ZINC000623868963 1117948954 /nfs/dbraw/zinc/94/89/54/1117948954.db2.gz MAGXECSIIRJSDI-HZSPNIEDSA-N 0 1 294.464 3.705 20 0 CHADMN Cc1ccnc(CN2CCCC[C@H]2CCC(C)C)n1 ZINC000339657516 1117949429 /nfs/dbraw/zinc/94/94/29/1117949429.db2.gz FFZLTTZOBVIYAW-HNNXBMFYSA-N 0 1 261.413 3.576 20 0 CHADMN c1cn(C2CCCC2)nc1CN1CC[C@@H](CC2CC2)C1 ZINC000339670318 1117951685 /nfs/dbraw/zinc/95/16/85/1117951685.db2.gz BBKWEWVESMDBHB-HNNXBMFYSA-N 0 1 273.424 3.620 20 0 CHADMN Cc1ccc(-c2nnc(CN3CC[C@H](CC4CC4)C3)o2)cc1 ZINC000339674171 1117952358 /nfs/dbraw/zinc/95/23/58/1117952358.db2.gz RSPSOWKBFAWKSL-OAHLLOKOSA-N 0 1 297.402 3.667 20 0 CHADMN c1nc2c(s1)CCC[C@@H]2N[C@H]1C[C@H]1Cc1ccccc1 ZINC000623916978 1117953896 /nfs/dbraw/zinc/95/38/96/1117953896.db2.gz DNMRHXJDAHVQPK-ILXRZTDVSA-N 0 1 284.428 3.741 20 0 CHADMN Cc1csc([C@@H](C)NC[C@@H](C)Oc2ccccc2)n1 ZINC000623915028 1117954081 /nfs/dbraw/zinc/95/40/81/1117954081.db2.gz RVPAQBKDAHGPMY-CHWSQXEVSA-N 0 1 276.405 3.570 20 0 CHADMN FC(F)(F)c1ccc2nc(-c3ccns3)[nH]c2c1 ZINC000705417191 1117954440 /nfs/dbraw/zinc/95/44/40/1117954440.db2.gz UIMFHOHPLHMFDY-UHFFFAOYSA-N 0 1 269.251 3.705 20 0 CHADMN C=CCSCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185968708 1117956387 /nfs/dbraw/zinc/95/63/87/1117956387.db2.gz SQAWYVSXNOHGCP-SNVBAGLBSA-N 0 1 271.813 3.615 20 0 CHADMN Cc1cc(C)cc(NC(=O)[C@H](C)N2CC(C)=C[C@@H](C)C2)c1 ZINC000430265319 1117959112 /nfs/dbraw/zinc/95/91/12/1117959112.db2.gz UTUUCTUQRVWYRJ-ZBFHGGJFSA-N 0 1 286.419 3.528 20 0 CHADMN CC(C)O[C@@H]1C[C@@H](N[C@@H]2CCCc3scnc32)C1(C)C ZINC000623961618 1117962686 /nfs/dbraw/zinc/96/26/86/1117962686.db2.gz JJHYZYUVIUSIBY-MRVWCRGKSA-N 0 1 294.464 3.702 20 0 CHADMN CC1(C)C[N@@H+](Cc2nccn2-c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000339710195 1117963166 /nfs/dbraw/zinc/96/31/66/1117963166.db2.gz HKRRLQLYYFOPAO-DLBZAZTESA-N 0 1 295.430 3.883 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@H]1CC[C@@H](F)C1 ZINC000579396488 1128747244 /nfs/dbraw/zinc/74/72/44/1128747244.db2.gz YWQWZHWYFZBZPS-ZJUUUORDSA-N 0 1 278.302 3.685 20 0 CHADMN Cc1csc([C@@H](C)N[C@H]2C[C@H](Oc3ccccc3)C2)n1 ZINC000624012612 1117970731 /nfs/dbraw/zinc/97/07/31/1117970731.db2.gz CKHYXLHUJAGHEE-UMVBOHGHSA-N 0 1 288.416 3.712 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc3ccccc3c2)ncn1 ZINC000339751047 1117971892 /nfs/dbraw/zinc/97/18/92/1117971892.db2.gz ASJWYMKHQVCDGK-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN Cc1cc(F)ccc1-c1ccc(CN[C@@H](C)c2cn[nH]c2)o1 ZINC000339792738 1117975248 /nfs/dbraw/zinc/97/52/48/1117975248.db2.gz RRHXWGWIXSSGIS-LBPRGKRZSA-N 0 1 299.349 3.968 20 0 CHADMN Cc1cc([C@H](NCc2ccns2)C2CC2)ccc1F ZINC000624047466 1117975257 /nfs/dbraw/zinc/97/52/57/1117975257.db2.gz CSLFFFRXJMPIGX-OAHLLOKOSA-N 0 1 276.380 3.832 20 0 CHADMN Clc1cccc2c1CC[C@H]2NCc1ccns1 ZINC000624047946 1117975313 /nfs/dbraw/zinc/97/53/13/1117975313.db2.gz WLMRFDLHKTVJFO-CYBMUJFWSA-N 0 1 264.781 3.574 20 0 CHADMN C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc(Br)cc1[O-] ZINC000186057204 1117979267 /nfs/dbraw/zinc/97/92/67/1117979267.db2.gz FUOBESQLLRBPFC-ZYHUDNBSSA-N 0 1 296.208 3.914 20 0 CHADMN Cc1nccnc1CN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000621326965 1117979875 /nfs/dbraw/zinc/97/98/75/1117979875.db2.gz ZRPPFATZQQPHHW-ZDUSSCGKSA-N 0 1 281.403 3.515 20 0 CHADMN CC1(c2ccccc2)CCC(NCC(F)F)CC1 ZINC000705506511 1117983766 /nfs/dbraw/zinc/98/37/66/1117983766.db2.gz PXWNGJACXLKFBE-UHFFFAOYSA-N 0 1 253.336 3.742 20 0 CHADMN COCCC[C@@H](C)N[C@H](CCc1ccccc1)C(F)F ZINC000624124548 1117986980 /nfs/dbraw/zinc/98/69/80/1117986980.db2.gz FRZDQKMPUOTORH-UKRRQHHQSA-N 0 1 285.378 3.658 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@H](C)N1CC(C)=C[C@H](C)C1 ZINC000430281036 1117990925 /nfs/dbraw/zinc/99/09/25/1117990925.db2.gz QZYWAUXBMOIUFR-LRDDRELGSA-N 0 1 286.419 3.528 20 0 CHADMN Fc1ccc(F)c(CNC/C=C\c2ccccc2)c1 ZINC000214822912 1117991746 /nfs/dbraw/zinc/99/17/46/1117991746.db2.gz GTLMUHBWBJZZFC-DAXSKMNVSA-N 0 1 259.299 3.768 20 0 CHADMN Cc1ncccc1CN[C@H](C)c1ccc(C(F)F)nc1 ZINC000624164357 1117992086 /nfs/dbraw/zinc/99/20/86/1117992086.db2.gz HRRCKHCWNZKUMD-LLVKDONJSA-N 0 1 277.318 3.573 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)N(C)C[C@H](O)C(F)(F)F ZINC000181295728 1117997285 /nfs/dbraw/zinc/99/72/85/1117997285.db2.gz DIVLBWNPRCFKAG-NHYWBVRUSA-N 0 1 297.320 3.756 20 0 CHADMN CC[C@@H](C)[C@H](CNCc1c(F)ccc(F)c1Cl)OC ZINC000705551457 1117997397 /nfs/dbraw/zinc/99/73/97/1117997397.db2.gz FGTISKCCRLHIHH-RNCFNFMXSA-N 0 1 291.769 3.769 20 0 CHADMN Cc1oncc1CN(C)CCCOc1cccc(Cl)c1 ZINC000181650136 1118002293 /nfs/dbraw/zinc/00/22/93/1118002293.db2.gz LDCNMNGWIYJCNE-UHFFFAOYSA-N 0 1 294.782 3.537 20 0 CHADMN CCc1ccc(CN(C)Cc2cnn(CC(C)C)c2)cc1 ZINC000543986773 1118002547 /nfs/dbraw/zinc/00/25/47/1118002547.db2.gz KNAMEVGGIZOMHB-UHFFFAOYSA-N 0 1 285.435 3.734 20 0 CHADMN Cc1oncc1CSc1n[nH]c(CCC2CCCC2)n1 ZINC000181748772 1118005545 /nfs/dbraw/zinc/00/55/45/1118005545.db2.gz FZWXNWMEWPEQTM-UHFFFAOYSA-N 0 1 292.408 3.516 20 0 CHADMN Cc1oncc1CSc1nc(CCC2CCCC2)n[nH]1 ZINC000181748772 1118005549 /nfs/dbraw/zinc/00/55/49/1118005549.db2.gz FZWXNWMEWPEQTM-UHFFFAOYSA-N 0 1 292.408 3.516 20 0 CHADMN Cc1cncc(CN[C@@H]2CCSc3ccccc32)c1 ZINC000181828040 1118007295 /nfs/dbraw/zinc/00/72/95/1118007295.db2.gz KBSYRXZIUALQLB-OAHLLOKOSA-N 0 1 270.401 3.717 20 0 CHADMN C[C@@H](N(C)CC(=O)c1c[nH]c2ccc(F)cc12)C1(C)CC1 ZINC000625218164 1118014089 /nfs/dbraw/zinc/01/40/89/1118014089.db2.gz VECRNWABVVHBOS-LLVKDONJSA-N 0 1 288.366 3.610 20 0 CHADMN CCCCc1nc(CN[C@H](CC)[C@H]2CCCO2)cs1 ZINC000182272682 1118018434 /nfs/dbraw/zinc/01/84/34/1118018434.db2.gz FKVNDWOIGSIZFG-ZIAGYGMSSA-N 0 1 282.453 3.533 20 0 CHADMN CC[C@H](NCc1csc(CCC(C)C)n1)[C@H]1CCCO1 ZINC000182347188 1118020147 /nfs/dbraw/zinc/02/01/47/1118020147.db2.gz IYDRULAJCHSGPK-LSDHHAIUSA-N 0 1 296.480 3.779 20 0 CHADMN CC[C@@H](NCc1ccc(F)cc1C)c1c(C)noc1C ZINC000182399099 1118021239 /nfs/dbraw/zinc/02/12/39/1118021239.db2.gz DXIAFNXYIDXFJB-OAHLLOKOSA-N 0 1 276.355 3.980 20 0 CHADMN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1cscn1 ZINC000579509292 1128750439 /nfs/dbraw/zinc/75/04/39/1128750439.db2.gz FCDDFKJKJSNCNQ-NEPJUHHUSA-N 0 1 252.427 3.790 20 0 CHADMN Cc1cnn(-c2ccncc2NCc2sccc2C)c1 ZINC000182669963 1118027745 /nfs/dbraw/zinc/02/77/45/1118027745.db2.gz HVCJXNNUACAWKJ-UHFFFAOYSA-N 0 1 284.388 3.558 20 0 CHADMN C[C@H](NCc1noc(-c2ccccc2)n1)C1CCCCC1 ZINC000182706095 1118027842 /nfs/dbraw/zinc/02/78/42/1118027842.db2.gz JQLIBIXLXQFQDN-ZDUSSCGKSA-N 0 1 285.391 3.795 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1ccnc(SC)n1 ZINC001140036042 1118029391 /nfs/dbraw/zinc/02/93/91/1118029391.db2.gz XPJITGNZNYNELI-OAHLLOKOSA-N 0 1 287.432 3.782 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)C1CCC1)c1nccn1C ZINC000182815045 1118030171 /nfs/dbraw/zinc/03/01/71/1118030171.db2.gz KCQWSKGMACHMIM-BBRMVZONSA-N 0 1 269.392 3.612 20 0 CHADMN CCc1c2ccccc2oc1[C@@H](C)NCc1ccc[nH]c1=O ZINC000624258439 1118032177 /nfs/dbraw/zinc/03/21/77/1118032177.db2.gz JUYRXKYQMGAQJA-GFCCVEGCSA-N 0 1 296.370 3.947 20 0 CHADMN CCSc1ccccc1[C@@H](C)NCc1ccc[nH]c1=O ZINC000624258741 1118032316 /nfs/dbraw/zinc/03/23/16/1118032316.db2.gz SDXJZIAZUWUQDF-GFCCVEGCSA-N 0 1 288.416 3.750 20 0 CHADMN CC(C)c1nc(CN(C)CC2C[C@@H](C)O[C@H](C)C2)cs1 ZINC001209386724 1118033968 /nfs/dbraw/zinc/03/39/68/1118033968.db2.gz FBPIKHZWPQMDHD-CHWSQXEVSA-N 0 1 296.480 3.902 20 0 CHADMN C[C@H](Nc1ccccc1CN1CCSCC1)C1CCC1 ZINC000183017032 1118034923 /nfs/dbraw/zinc/03/49/23/1118034923.db2.gz CGLNFFXARQRELQ-AWEZNQCLSA-N 0 1 290.476 3.836 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1ccccc1C)CCO2 ZINC000037719100 1118035532 /nfs/dbraw/zinc/03/55/32/1118035532.db2.gz FLVZNYHPEKVXIR-KRWDZBQOSA-N 0 1 283.371 3.617 20 0 CHADMN CCn1nc(C)c(CN(C)Cc2ccc(C)cc2C)c1C ZINC000120293304 1118036501 /nfs/dbraw/zinc/03/65/01/1118036501.db2.gz WVTAPKGVDQIOOC-UHFFFAOYSA-N 0 1 285.435 3.769 20 0 CHADMN Cc1cccc(CNCc2ccccc2C(F)(F)F)n1 ZINC000048329617 1118041063 /nfs/dbraw/zinc/04/10/63/1118041063.db2.gz CQZKZKXBUMBFBI-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN C[C@H](CC(=O)OC(C)(C)C)N[C@H](C)c1cccc(F)c1F ZINC000183294742 1118041830 /nfs/dbraw/zinc/04/18/30/1118041830.db2.gz NBEXBWUKBGXJEN-GHMZBOCLSA-N 0 1 299.361 3.736 20 0 CHADMN FC[C@@H]1CCCN(Cc2cc(-c3ccc(F)cc3)on2)C1 ZINC001206834129 1118041871 /nfs/dbraw/zinc/04/18/71/1118041871.db2.gz NGBVXADRPZSCOH-LBPRGKRZSA-N 0 1 292.329 3.662 20 0 CHADMN Cc1cc(C)cc([C@@H]2CCN(Cc3nc(C(C)C)no3)C2)c1 ZINC000183478693 1118045212 /nfs/dbraw/zinc/04/52/12/1118045212.db2.gz GRTCTIQEIJLUMK-OAHLLOKOSA-N 0 1 299.418 3.799 20 0 CHADMN CCc1cccc(OCCN[C@H](C)c2nc(C)cs2)c1 ZINC000184174098 1118052065 /nfs/dbraw/zinc/05/20/65/1118052065.db2.gz JAUIOFZGWPTPIW-CYBMUJFWSA-N 0 1 290.432 3.744 20 0 CHADMN CCN(Cc1c(F)cccc1Cl)C[C@@H]1C[C@H]1C ZINC001209433034 1118054362 /nfs/dbraw/zinc/05/43/62/1118054362.db2.gz SOMLSUAJABHESC-MNOVXSKESA-N 0 1 255.764 3.957 20 0 CHADMN CCc1ccc(CN(Cc2ccc(F)nc2)C2CC2)cc1 ZINC000779153537 1128752958 /nfs/dbraw/zinc/75/29/58/1128752958.db2.gz GENPPMKOIWYISR-UHFFFAOYSA-N 0 1 284.378 3.948 20 0 CHADMN CC[C@H](NCCOc1ccc(Cl)cc1)c1nccs1 ZINC000185041682 1118059298 /nfs/dbraw/zinc/05/92/98/1118059298.db2.gz RXGMFOJXDXGZHK-ZDUSSCGKSA-N 0 1 296.823 3.916 20 0 CHADMN CCC[C@H](NCc1cccnc1OCC)c1cccnc1 ZINC000184985479 1118059774 /nfs/dbraw/zinc/05/97/74/1118059774.db2.gz URSSVQLWEITRQQ-INIZCTEOSA-N 0 1 285.391 3.506 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1ccc(F)nc1 ZINC000779157900 1128755441 /nfs/dbraw/zinc/75/54/41/1128755441.db2.gz JTLCNZMDDNEIHH-MRXNPFEDSA-N 0 1 270.351 3.730 20 0 CHADMN Clc1ccc2nc(SC[C@H]3CCCCO3)[nH]c2c1 ZINC000022132450 1118064248 /nfs/dbraw/zinc/06/42/48/1118064248.db2.gz ZFAANGQGCBWUSC-SNVBAGLBSA-N 0 1 282.796 3.878 20 0 CHADMN Cc1ccc(CCN(C)Cc2cnc(Cl)s2)cc1 ZINC001209471375 1118068656 /nfs/dbraw/zinc/06/86/56/1118068656.db2.gz VLYKVCNCJYSHBC-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN CSc1cc(C)cc(CN(C)C2CC(F)(F)C2)c1 ZINC001238675859 1118070942 /nfs/dbraw/zinc/07/09/42/1118070942.db2.gz PQZCVMFFNSZYJC-UHFFFAOYSA-N 0 1 271.376 3.946 20 0 CHADMN CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccoc1)CCC2 ZINC000093768018 1118072187 /nfs/dbraw/zinc/07/21/87/1118072187.db2.gz BOQMPLHDBSMYQN-CYBMUJFWSA-N 0 1 276.405 3.808 20 0 CHADMN CCc1nc2c(s1)[C@H](N(C)Cc1ccoc1)CCC2 ZINC000093768018 1118072192 /nfs/dbraw/zinc/07/21/92/1118072192.db2.gz BOQMPLHDBSMYQN-CYBMUJFWSA-N 0 1 276.405 3.808 20 0 CHADMN CC[C@H](C(=O)O[C@H](C)c1ccc(F)c(F)c1)N(CC)CC ZINC000764344132 1118085650 /nfs/dbraw/zinc/08/56/50/1118085650.db2.gz DUAUQMCGIQYJOJ-IAQYHMDHSA-N 0 1 299.361 3.689 20 0 CHADMN C[C@@H]1CC[C@H](NCc2noc(-c3ccsc3)n2)[C@H](C)C1 ZINC000119232831 1118086680 /nfs/dbraw/zinc/08/66/80/1118086680.db2.gz PDZINWVUDPHBGK-WZRBSPASSA-N 0 1 291.420 3.712 20 0 CHADMN Fc1cccc(C2CCN(Cc3cncc(F)c3)CC2)c1 ZINC000779157918 1128755491 /nfs/dbraw/zinc/75/54/91/1128755491.db2.gz VRHFRYSNUOTTPI-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN CCOCc1ccc(CN[C@@H](C)c2ccncc2F)cc1 ZINC000340173165 1118096550 /nfs/dbraw/zinc/09/65/50/1118096550.db2.gz PAJRZDBLQMOURN-ZDUSSCGKSA-N 0 1 288.366 3.608 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1csc(C2CC2)n1 ZINC000340172154 1118096677 /nfs/dbraw/zinc/09/66/77/1118096677.db2.gz ZNUDBYGVSUEVPA-ZDUSSCGKSA-N 0 1 250.411 3.641 20 0 CHADMN CC(C)CC(CC(C)C)N[C@H](C)c1csnn1 ZINC000398241464 1118105258 /nfs/dbraw/zinc/10/52/58/1118105258.db2.gz PDRVLMVEOPZGAY-LLVKDONJSA-N 0 1 255.431 3.650 20 0 CHADMN FC(F)(F)CCN1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120128035 1118115514 /nfs/dbraw/zinc/11/55/14/1118115514.db2.gz ZWOXLSUGAJQSCF-LBPRGKRZSA-N 0 1 293.716 3.746 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](C)CCOC1CCCCC1 ZINC001167244609 1118117705 /nfs/dbraw/zinc/11/77/05/1118117705.db2.gz WBZWHXKKEZNUBC-CYBMUJFWSA-N 0 1 251.370 3.622 20 0 CHADMN C[C@H](c1ccco1)N(C)CCOC1CCCCC1 ZINC001167244609 1118117711 /nfs/dbraw/zinc/11/77/11/1118117711.db2.gz WBZWHXKKEZNUBC-CYBMUJFWSA-N 0 1 251.370 3.622 20 0 CHADMN C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cc(Cl)ccc1[O-] ZINC000187841978 1128757290 /nfs/dbraw/zinc/75/72/90/1128757290.db2.gz ZPHWYIDNVAWRIM-CMPLNLGQSA-N 0 1 283.799 3.654 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1nc(Cc2ccccc2)no1 ZINC000185861270 1118127833 /nfs/dbraw/zinc/12/78/33/1118127833.db2.gz AWEIYYSZRYAUDU-MRXNPFEDSA-N 0 1 299.418 3.815 20 0 CHADMN Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@@H](O)C(C)C ZINC000340287807 1118132070 /nfs/dbraw/zinc/13/20/70/1118132070.db2.gz LZALBMHCLUFJQU-QWHCGFSZSA-N 0 1 284.469 3.585 20 0 CHADMN C[C@H](NCc1cccc(N(C)C)n1)c1cccc(C2CC2)c1 ZINC000340310595 1118137785 /nfs/dbraw/zinc/13/77/85/1118137785.db2.gz OOKBMLJZHZKQBQ-AWEZNQCLSA-N 0 1 295.430 3.876 20 0 CHADMN Cc1cnc(CN[C@@H](C)c2csc3ccccc32)cn1 ZINC000765246853 1118140074 /nfs/dbraw/zinc/14/00/74/1118140074.db2.gz YDYJFSCKVYBLAY-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN C[C@@H](Cc1ccsc1)N1CCOc2ccc(F)cc2C1 ZINC000579907037 1118145994 /nfs/dbraw/zinc/14/59/94/1118145994.db2.gz QRYQXYCGOYRVQI-LBPRGKRZSA-N 0 1 291.391 3.713 20 0 CHADMN CCCOc1cccc(CN[C@@H](C)c2cncs2)c1 ZINC000765380783 1118147513 /nfs/dbraw/zinc/14/75/13/1118147513.db2.gz MJVNVSSITPUMQG-LBPRGKRZSA-N 0 1 276.405 3.783 20 0 CHADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1ccc(C(C)(C)C)cc1 ZINC000032123137 1118147675 /nfs/dbraw/zinc/14/76/75/1118147675.db2.gz AESZFFKPZFTUCZ-UHFFFAOYSA-N 0 1 277.408 3.527 20 0 CHADMN CC[C@H](N[C@H](C)c1ncc[nH]1)c1cc(C)ccc1C ZINC000528021902 1118150645 /nfs/dbraw/zinc/15/06/45/1118150645.db2.gz TYFMZMIAGRBGAG-HIFRSBDPSA-N 0 1 257.381 3.828 20 0 CHADMN CC[C@@H](N[C@H](C)c1ncc[nH]1)c1cc(C)ccc1C ZINC000528021904 1118150781 /nfs/dbraw/zinc/15/07/81/1118150781.db2.gz TYFMZMIAGRBGAG-UKRRQHHQSA-N 0 1 257.381 3.828 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)cc1 ZINC000092942260 1118152067 /nfs/dbraw/zinc/15/20/67/1118152067.db2.gz DOOCUKYAFPRVHL-WOSRLPQWSA-N 0 1 275.392 3.666 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2cnn(C)c21 ZINC001210102494 1118152660 /nfs/dbraw/zinc/15/26/60/1118152660.db2.gz OTWGEMSZVFENDG-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)CCO3)cn1 ZINC001204491960 1118153897 /nfs/dbraw/zinc/15/38/97/1118153897.db2.gz WFUAXBXPGHGPEW-GOSISDBHSA-N 0 1 294.398 3.662 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2ccc3c(c2)CCO3)cn1 ZINC001204491960 1118153899 /nfs/dbraw/zinc/15/38/99/1118153899.db2.gz WFUAXBXPGHGPEW-GOSISDBHSA-N 0 1 294.398 3.662 20 0 CHADMN Cc1cnc(Cl)c(CN[C@H]2CCc3ccccc32)c1 ZINC000921513733 1118154435 /nfs/dbraw/zinc/15/44/35/1118154435.db2.gz PLUPKVQMQGJOCB-HNNXBMFYSA-N 0 1 272.779 3.821 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2ccc(Cl)cn2)c1 ZINC000579914267 1118155611 /nfs/dbraw/zinc/15/56/11/1118155611.db2.gz PAFAVTIUMLHJOA-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1nc2ccc(NC(=O)c3ccc(C)cc3C)cc2[nH]1 ZINC000010896113 1118159743 /nfs/dbraw/zinc/15/97/43/1118159743.db2.gz HTMQXRJRIBWOPB-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN C[C@H]1C[C@H](C)[N@@H+](Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000164543771 1118160517 /nfs/dbraw/zinc/16/05/17/1118160517.db2.gz MMDWIOHWRMPRHT-QWRGUYRKSA-N 0 1 289.400 3.830 20 0 CHADMN Nc1c(F)cccc1CN(Cc1cccs1)C1CC1 ZINC000156358803 1118162221 /nfs/dbraw/zinc/16/22/21/1118162221.db2.gz BQFRDZCSQXOOOX-UHFFFAOYSA-N 0 1 276.380 3.634 20 0 CHADMN Cc1ccc(NC(=O)CN(C)[C@H](C)c2ccccc2)cc1C ZINC000020813426 1118174292 /nfs/dbraw/zinc/17/42/92/1118174292.db2.gz XLPPROKYPNFJRD-MRXNPFEDSA-N 0 1 296.414 3.935 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)Nc1ccc(C2CC2)cc1 ZINC000683564533 1118182712 /nfs/dbraw/zinc/18/27/12/1118182712.db2.gz HZUJYJVRFNXCOT-UHFFFAOYSA-N 0 1 269.348 3.663 20 0 CHADMN CCC[C@@H](N[C@@H]1CCCn2ccnc21)c1ccccc1 ZINC000655682670 1118183820 /nfs/dbraw/zinc/18/38/20/1118183820.db2.gz IILCWCLQAQXZPM-HZPDHXFCSA-N 0 1 269.392 3.849 20 0 CHADMN C[C@H](N[C@@H]1CCCn2ccnc21)c1ccc2c(c1)CCCC2 ZINC000655682827 1118183913 /nfs/dbraw/zinc/18/39/13/1118183913.db2.gz LFXUVJBZHLJAOP-KBXCAEBGSA-N 0 1 295.430 3.948 20 0 CHADMN Brc1ccc(CN2CCCCCCC2)o1 ZINC000307140693 1118184117 /nfs/dbraw/zinc/18/41/17/1118184117.db2.gz BEGQZAQPMNCXBJ-UHFFFAOYSA-N 0 1 272.186 3.808 20 0 CHADMN CC(C)[C@@H](N[C@@H]1CCCn2ccnc21)c1ccc(F)cc1 ZINC000655692053 1118185522 /nfs/dbraw/zinc/18/55/22/1118185522.db2.gz CVCTZFYSJBYAOJ-HZPDHXFCSA-N 0 1 287.382 3.844 20 0 CHADMN C[C@@H]1CC[C@H](NCc2cc(-c3ccccc3)on2)CS1 ZINC000655704340 1118188098 /nfs/dbraw/zinc/18/80/98/1118188098.db2.gz BAQHDUNBMWRGCY-OCCSQVGLSA-N 0 1 288.416 3.715 20 0 CHADMN c1csc([C@H](N[C@H]2CCCn3ccnc32)C2CC2)c1 ZINC000655698911 1118188104 /nfs/dbraw/zinc/18/81/04/1118188104.db2.gz YRPCJEYWMZSAQE-GXTWGEPZSA-N 0 1 273.405 3.520 20 0 CHADMN Cc1cc2c(c(C)c1)[C@H](NCc1cn3ccsc3n1)CC2 ZINC000655699971 1118188631 /nfs/dbraw/zinc/18/86/31/1118188631.db2.gz IRLFLOKSBLTQKF-OAHLLOKOSA-N 0 1 297.427 3.790 20 0 CHADMN Cc1ccc([C@@H](NCc2cc3n(n2)CCCC3)C2CC2)cc1 ZINC000655709269 1118189851 /nfs/dbraw/zinc/18/98/51/1118189851.db2.gz VKOKHORJQOKLBN-LJQANCHMSA-N 0 1 295.430 3.769 20 0 CHADMN CCc1nc([C@H](C)N[C@H]2CC[C@@H](C)SC2)cs1 ZINC000655712065 1118190404 /nfs/dbraw/zinc/19/04/04/1118190404.db2.gz OBCBSRNPFMLBLJ-VWYCJHECSA-N 0 1 270.467 3.640 20 0 CHADMN CCc1nc([C@H](C)N[C@@H]2CC[C@@H](C)SC2)cs1 ZINC000655712064 1118190429 /nfs/dbraw/zinc/19/04/29/1118190429.db2.gz OBCBSRNPFMLBLJ-OUAUKWLOSA-N 0 1 270.467 3.640 20 0 CHADMN c1cn2c(n1)[C@@H](N[C@H](c1ccccc1)C1CCC1)CCC2 ZINC000655708351 1118191881 /nfs/dbraw/zinc/19/18/81/1118191881.db2.gz HUSOFBZSVHEKPI-DLBZAZTESA-N 0 1 281.403 3.849 20 0 CHADMN Cc1cnc(CN[C@@H]2CCc3cc(C)cc(C)c32)s1 ZINC000655718893 1118193077 /nfs/dbraw/zinc/19/30/77/1118193077.db2.gz FULDDFFDFTYHKV-CQSZACIVSA-N 0 1 272.417 3.845 20 0 CHADMN CC1(C)C[C@@H](N[C@H]2CCCn3ccnc32)c2ccccc21 ZINC000655735763 1118197090 /nfs/dbraw/zinc/19/70/90/1118197090.db2.gz YJKSTCAYLLQYEW-JKSUJKDBSA-N 0 1 281.403 3.730 20 0 CHADMN Cc1ncncc1[C@H](C)NCc1ccc(OC(C)(C)C)cc1 ZINC000655741273 1118199001 /nfs/dbraw/zinc/19/90/01/1118199001.db2.gz GPYZFRJGWLKLLZ-ZDUSSCGKSA-N 0 1 299.418 3.813 20 0 CHADMN Cc1ncncc1[C@@H](C)NCc1ccc(OC(C)(C)C)cc1 ZINC000655741272 1118199057 /nfs/dbraw/zinc/19/90/57/1118199057.db2.gz GPYZFRJGWLKLLZ-CYBMUJFWSA-N 0 1 299.418 3.813 20 0 CHADMN CC(C)Oc1ccccc1CNCc1cccc2c1OCC2 ZINC000921578520 1118201452 /nfs/dbraw/zinc/20/14/52/1118201452.db2.gz OFMNTKGWNAWOIZ-UHFFFAOYSA-N 0 1 297.398 3.699 20 0 CHADMN Cc1cc2c(c(C)c1)[C@@H](N[C@@H](CO)c1ccsc1)CC2 ZINC000655757181 1118204506 /nfs/dbraw/zinc/20/45/06/1118204506.db2.gz PEHCOOSSLCFZOY-HOTGVXAUSA-N 0 1 287.428 3.675 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2NCc1cnn(CC2CCC2)c1 ZINC000921613604 1118205632 /nfs/dbraw/zinc/20/56/32/1118205632.db2.gz KNUFUBJQJFYRPL-GOSISDBHSA-N 0 1 299.393 3.599 20 0 CHADMN C[C@@H](NCc1cccc2c1OCC2)c1ccc(F)cc1 ZINC000693112570 1118208287 /nfs/dbraw/zinc/20/82/87/1118208287.db2.gz NNCNFOYZCNJXCA-GFCCVEGCSA-N 0 1 271.335 3.611 20 0 CHADMN Cc1cc(CNCc2cccnc2OC(C)C)cs1 ZINC000388986106 1118209384 /nfs/dbraw/zinc/20/93/84/1118209384.db2.gz AYNBXCMJQZLFCD-UHFFFAOYSA-N 0 1 276.405 3.529 20 0 CHADMN CC(C)N(CC(=O)Nc1ccccc1C(C)(C)C)C1CC1 ZINC000026942005 1118210093 /nfs/dbraw/zinc/21/00/93/1118210093.db2.gz LUDKCWJQNZAYMS-UHFFFAOYSA-N 0 1 288.435 3.795 20 0 CHADMN Fc1ccc(F)c(CN2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000102846052 1118210185 /nfs/dbraw/zinc/21/01/85/1118210185.db2.gz IPWZMHVICZOIJD-MRXNPFEDSA-N 0 1 288.341 3.651 20 0 CHADMN CSc1ccccc1NC(=O)CN(C)[C@H](C)CC(C)C ZINC000027137824 1118210369 /nfs/dbraw/zinc/21/03/69/1118210369.db2.gz FFSLCOXGQOPHRN-CYBMUJFWSA-N 0 1 294.464 3.713 20 0 CHADMN CC[C@H](C)CCCCC(=O)NCc1ccc2nc[nH]c2c1 ZINC000615791927 1128763009 /nfs/dbraw/zinc/76/30/09/1128763009.db2.gz HIZJEGIBLJVLTA-ZDUSSCGKSA-N 0 1 287.407 3.786 20 0 CHADMN Cc1ccccc1C1(N[C@@H]2CCCn3ccnc32)CCC1 ZINC000655789952 1118214162 /nfs/dbraw/zinc/21/41/62/1118214162.db2.gz BWGCLAOOJZXBON-MRXNPFEDSA-N 0 1 281.403 3.695 20 0 CHADMN Fc1ccc(F)c(CNCc2cccc3cccnc32)c1 ZINC000068840120 1118214817 /nfs/dbraw/zinc/21/48/17/1118214817.db2.gz TZXSPEKGQWOPOW-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN CC(C)(C)CCc1noc(-c2cccc(-c3nnc[nH]3)c2)n1 ZINC000671670390 1118217879 /nfs/dbraw/zinc/21/78/79/1118217879.db2.gz GQOYALHVPCRDMJ-UHFFFAOYSA-N 0 1 297.362 3.500 20 0 CHADMN C[C@@H](NCc1ccncc1)c1ccc(F)cc1OC(F)F ZINC001168563637 1118218295 /nfs/dbraw/zinc/21/82/95/1118218295.db2.gz NNIAQDHYFAOMSF-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN CC(C)c1cc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)n[nH]1 ZINC000615806698 1128763442 /nfs/dbraw/zinc/76/34/42/1128763442.db2.gz YWXJOEQHBRGSLY-HEHGZKQESA-N 0 1 289.423 3.574 20 0 CHADMN COc1c(C)cccc1CN[C@H]1CCc2ccc(F)cc21 ZINC000655812130 1118220201 /nfs/dbraw/zinc/22/02/01/1118220201.db2.gz ZVPBDSVILOJFNN-KRWDZBQOSA-N 0 1 285.362 3.920 20 0 CHADMN COc1c(C)cccc1CN[C@H](C)c1ccc2c(c1)COC2 ZINC000655810565 1118220325 /nfs/dbraw/zinc/22/03/25/1118220325.db2.gz MKGPUTDWGLNAFX-CQSZACIVSA-N 0 1 297.398 3.885 20 0 CHADMN CC(C)Cn1ccnc1NCc1nccc2ccccc21 ZINC000671673442 1118223594 /nfs/dbraw/zinc/22/35/94/1118223594.db2.gz UDOBWKRERNZUDO-UHFFFAOYSA-N 0 1 280.375 3.699 20 0 CHADMN Cc1cnc(CCNCc2ncc(C(C)C)s2)c(C)c1 ZINC000655830654 1118226841 /nfs/dbraw/zinc/22/68/41/1118226841.db2.gz ZXSNONDPASZQCN-UHFFFAOYSA-N 0 1 289.448 3.611 20 0 CHADMN CC(C)c1cnc(CN[C@H]2C[C@H](OC(C)(C)C)C2)s1 ZINC000655845220 1118237068 /nfs/dbraw/zinc/23/70/68/1118237068.db2.gz VXQRSTPHWVCPCM-HAQNSBGRSA-N 0 1 282.453 3.702 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCCC23CCCCC3)c1 ZINC000340433230 1118241898 /nfs/dbraw/zinc/24/18/98/1118241898.db2.gz NZRQMWQZRXSLHK-UHFFFAOYSA-N 0 1 297.402 3.810 20 0 CHADMN O=C(Nc1cccc2ccccc21)c1cccc2cn[nH]c21 ZINC000043974291 1118248768 /nfs/dbraw/zinc/24/87/68/1118248768.db2.gz UJEDJRCLGQMDBZ-UHFFFAOYSA-N 0 1 287.322 3.968 20 0 CHADMN CCc1noc(C)c1CN[C@H]1CC(C)(C)Cc2occc21 ZINC000340441432 1118251707 /nfs/dbraw/zinc/25/17/07/1118251707.db2.gz XKVUIONBPYYHSZ-HNNXBMFYSA-N 0 1 288.391 3.942 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nnc(C(C)(C)C)o1 ZINC000075837860 1128765644 /nfs/dbraw/zinc/76/56/44/1128765644.db2.gz XSXBGVWMPOSLBU-UPJWGTAASA-N 0 1 277.412 3.520 20 0 CHADMN CC[C@@H](C)CN(CC)Cc1ncc(C(C)(C)C)o1 ZINC000409445249 1118254646 /nfs/dbraw/zinc/25/46/46/1118254646.db2.gz UPDBZLUOUQVKRA-GFCCVEGCSA-N 0 1 252.402 3.840 20 0 CHADMN CCCC[C@H](CC)CCN1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000472630761 1118262882 /nfs/dbraw/zinc/26/28/82/1118262882.db2.gz OPAYGPIRNZKEFW-ULQDDVLXSA-N 0 1 295.467 3.663 20 0 CHADMN COc1cc([C@@H](C)NCc2ccc(F)c(Cl)c2)ccn1 ZINC000340462350 1118267845 /nfs/dbraw/zinc/26/78/45/1118267845.db2.gz LVJXTOSMAWWNHH-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN CCN(CC)C(=O)CN(C)[C@@H](C)c1ccc2ccccc2c1 ZINC000056268205 1118270486 /nfs/dbraw/zinc/27/04/86/1118270486.db2.gz FZRLBVXTHOYYBV-HNNXBMFYSA-N 0 1 298.430 3.701 20 0 CHADMN Fc1ccc(CN[C@@H]2CCc3c2cccc3Cl)cn1 ZINC000189015671 1128766966 /nfs/dbraw/zinc/76/69/66/1128766966.db2.gz VRQWVDYROWTNDP-CQSZACIVSA-N 0 1 276.742 3.651 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NC/C=C/c1ccc(F)c(F)c1 ZINC000671710114 1118282383 /nfs/dbraw/zinc/28/23/83/1118282383.db2.gz WSMOPYMSODPERD-ORAHPGNNSA-N 0 1 292.329 3.934 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2ccc(Cl)cc21)c1cnccn1 ZINC000624328856 1118284525 /nfs/dbraw/zinc/28/45/25/1118284525.db2.gz DRICEPTUTIBEDW-IAQYHMDHSA-N 0 1 287.794 3.858 20 0 CHADMN Cc1nc(C)c(CNCc2ccc3ccccc3n2)s1 ZINC000076867583 1118284686 /nfs/dbraw/zinc/28/46/86/1118284686.db2.gz PADZIXVESYJGAD-UHFFFAOYSA-N 0 1 283.400 3.598 20 0 CHADMN Cc1cc([C@H](C)N[C@H](CO)c2ccccc2C)c(C)o1 ZINC000683691151 1118287564 /nfs/dbraw/zinc/28/75/64/1118287564.db2.gz URNQZOQFIZQPGY-SUMWQHHRSA-N 0 1 273.376 3.589 20 0 CHADMN C[C@H](NC1CCC(C2CCCCC2)CC1)c1ncn(C)n1 ZINC000683691693 1118287681 /nfs/dbraw/zinc/28/76/81/1118287681.db2.gz HRQNQVRFTNNFCF-JEYLPNPQSA-N 0 1 290.455 3.605 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](CO)c2ccccc2C)c(C)o1 ZINC000683691150 1118287801 /nfs/dbraw/zinc/28/78/01/1118287801.db2.gz URNQZOQFIZQPGY-GUYCJALGSA-N 0 1 273.376 3.589 20 0 CHADMN Fc1ccc(CNC2(c3cccc(Cl)c3)CC2)cn1 ZINC000189124877 1128767915 /nfs/dbraw/zinc/76/79/15/1128767915.db2.gz PJYPZBSAQVPGGB-UHFFFAOYSA-N 0 1 276.742 3.653 20 0 CHADMN CC[C@@H]1CCCN(CC(=O)Nc2cccc(C(C)C)c2)C1 ZINC000058773485 1118292817 /nfs/dbraw/zinc/29/28/17/1118292817.db2.gz MPBYTQYOVVNRII-OAHLLOKOSA-N 0 1 288.435 3.871 20 0 CHADMN CCCCN(C)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000060105694 1118296395 /nfs/dbraw/zinc/29/63/95/1118296395.db2.gz CBQWUWFMSPRBNC-UHFFFAOYSA-N 0 1 274.364 3.582 20 0 CHADMN Cc1cnn(-c2ccncc2NC[C@@H](C)c2ccccc2)c1 ZINC000683707572 1118299376 /nfs/dbraw/zinc/29/93/76/1118299376.db2.gz ORKGFAPWKUYEJP-OAHLLOKOSA-N 0 1 292.386 3.791 20 0 CHADMN Cc1cncc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000186191573 1118307333 /nfs/dbraw/zinc/30/73/33/1118307333.db2.gz SVRPBVSQUIWNQU-NSHDSACASA-N 0 1 276.767 3.600 20 0 CHADMN CCCNc1ccc(CN[C@H](C)c2ccncc2F)cc1 ZINC000340506890 1118310739 /nfs/dbraw/zinc/31/07/39/1118310739.db2.gz MBKDEZYRAZPFCS-CYBMUJFWSA-N 0 1 287.382 3.893 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]1F)CCS2 ZINC000340521049 1118314611 /nfs/dbraw/zinc/31/46/11/1118314611.db2.gz BHTVNOOMQDZWJP-BFHYXJOUSA-N 0 1 281.396 3.712 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@@H]2N[C@H]1CCC[C@@H]1F ZINC000340524446 1118317536 /nfs/dbraw/zinc/31/75/36/1118317536.db2.gz SGUWQZGWCJXBAK-KKUMJFAQSA-N 0 1 263.356 3.689 20 0 CHADMN c1ccc2c(c1)CC[C@H]2Sc1nc(-c2cccnc2)n[nH]1 ZINC000683737936 1118323069 /nfs/dbraw/zinc/32/30/69/1118323069.db2.gz DDFZRBUPWADWDB-CQSZACIVSA-N 0 1 294.383 3.646 20 0 CHADMN CCC(CC)CN(CC)Cc1nc(CCC(C)C)no1 ZINC000064508402 1118326187 /nfs/dbraw/zinc/32/61/87/1118326187.db2.gz FFWKIMSOIFBOOQ-UHFFFAOYSA-N 0 1 281.444 3.916 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CCC[C@@H](CC)C1 ZINC000042145417 1118330090 /nfs/dbraw/zinc/33/00/90/1118330090.db2.gz HEBJKHLHUZCOBI-OAHLLOKOSA-N 0 1 288.435 3.618 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CCC[C@H](CC)C1 ZINC000042145416 1118330787 /nfs/dbraw/zinc/33/07/87/1118330787.db2.gz HEBJKHLHUZCOBI-HNNXBMFYSA-N 0 1 288.435 3.618 20 0 CHADMN CCC1CCN(Cc2cc(O)ccc2Cl)CC1 ZINC001167341162 1118331290 /nfs/dbraw/zinc/33/12/90/1118331290.db2.gz HLSHANMHHPGGAR-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)CC(C)(C)O1 ZINC000065424990 1118333708 /nfs/dbraw/zinc/33/37/08/1118333708.db2.gz KWYZZROHVMMAOF-LLVKDONJSA-N 0 1 287.325 3.705 20 0 CHADMN Cc1noc(C)c1CN(C)CCSc1ccc(F)cc1 ZINC000076193450 1128770721 /nfs/dbraw/zinc/77/07/21/1128770721.db2.gz WAEZPDWHOKJRFY-UHFFFAOYSA-N 0 1 294.395 3.655 20 0 CHADMN c1ccc([C@H](N[C@@H]2C=CCCC2)c2ccccn2)cc1 ZINC000066472988 1118345194 /nfs/dbraw/zinc/34/51/94/1118345194.db2.gz OIFWVMUJHJNXPG-AEFFLSMTSA-N 0 1 264.372 3.869 20 0 CHADMN c1csc(CNCC2(Sc3ccccc3)CC2)n1 ZINC001649095367 1118347208 /nfs/dbraw/zinc/34/72/08/1118347208.db2.gz DDABZFWZRWWLSJ-UHFFFAOYSA-N 0 1 276.430 3.558 20 0 CHADMN Cc1nc(CN(C)C[C@H](C)c2ccccc2)oc1C ZINC000066853311 1118348485 /nfs/dbraw/zinc/34/84/85/1118348485.db2.gz QDHDXZVMGBJIFF-LBPRGKRZSA-N 0 1 258.365 3.527 20 0 CHADMN Cc1nc(CN(C)C[C@@H](C)c2ccccc2)oc1C ZINC000066853310 1118348676 /nfs/dbraw/zinc/34/86/76/1118348676.db2.gz QDHDXZVMGBJIFF-GFCCVEGCSA-N 0 1 258.365 3.527 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)OCC3CC3)[nH]c2c1 ZINC000784999594 1118349724 /nfs/dbraw/zinc/34/97/24/1118349724.db2.gz NOFZGFMEUBDNPN-HNNXBMFYSA-N 0 1 299.374 3.555 20 0 CHADMN Cc1occc1CNCc1ccccc1C(F)(F)F ZINC000067218081 1118351313 /nfs/dbraw/zinc/35/13/13/1118351313.db2.gz LUGNYNTYMXGGPW-UHFFFAOYSA-N 0 1 269.266 3.897 20 0 CHADMN CN(Cc1nccn1C)CC1CCC(c2ccccc2)CC1 ZINC000340563210 1118355514 /nfs/dbraw/zinc/35/55/14/1118355514.db2.gz NYZDBWPGGHTAMR-UHFFFAOYSA-N 0 1 297.446 3.826 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1scnc1C1CC1 ZINC000683774239 1118355626 /nfs/dbraw/zinc/35/56/26/1118355626.db2.gz CJKQIVSYEXQLMZ-LLVKDONJSA-N 0 1 273.405 3.575 20 0 CHADMN CC(C)c1cccc(N(C)C(=O)c2cccc3c[nH]nc32)c1 ZINC000067831823 1118355991 /nfs/dbraw/zinc/35/59/91/1118355991.db2.gz QDPCMPWXVSOBFI-UHFFFAOYSA-N 0 1 293.370 3.963 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)CC(=O)Nc1ccccc1 ZINC000069064964 1118367872 /nfs/dbraw/zinc/36/78/72/1118367872.db2.gz NWNUWAOPVZUDEY-KRWDZBQOSA-N 0 1 282.387 3.708 20 0 CHADMN CCSCCNC(C)(C)c1nc(C(F)(F)F)cs1 ZINC000348514574 1118368806 /nfs/dbraw/zinc/36/88/06/1118368806.db2.gz MDGNENITBAXYDJ-UHFFFAOYSA-N 0 1 298.399 3.740 20 0 CHADMN COC1CCC(Nc2nccc3cc(C)ccc32)CC1 ZINC001168603921 1118370444 /nfs/dbraw/zinc/37/04/44/1118370444.db2.gz VGACUDWSFSXYHG-UHFFFAOYSA-N 0 1 270.376 3.913 20 0 CHADMN C[C@H]1CCCC[C@H]1OCCNCc1ccc(Cl)o1 ZINC000069786086 1118370603 /nfs/dbraw/zinc/37/06/03/1118370603.db2.gz SXPCDKUXSWTGCS-WCQYABFASA-N 0 1 271.788 3.618 20 0 CHADMN C[C@H]1CCCC[C@@H]1OCCNCc1ccc(Cl)o1 ZINC000069786082 1118371055 /nfs/dbraw/zinc/37/10/55/1118371055.db2.gz SXPCDKUXSWTGCS-AAEUAGOBSA-N 0 1 271.788 3.618 20 0 CHADMN CC(C)[C@H](NCc1cn2ccccc2n1)c1ccc(F)cc1 ZINC000072836349 1118376011 /nfs/dbraw/zinc/37/60/11/1118376011.db2.gz HIFWSRIKUFCRPM-SFHVURJKSA-N 0 1 297.377 3.960 20 0 CHADMN Cc1cc(C)cc(CN2CCOC[C@H]2Cc2ccccc2)c1 ZINC001204525272 1118377484 /nfs/dbraw/zinc/37/74/84/1118377484.db2.gz WKZBEWGGNKKDKB-HXUWFJFHSA-N 0 1 295.426 3.747 20 0 CHADMN CC(C)(C)c1cnc(CSc2nc(C(C)(C)C)n[nH]2)o1 ZINC000045940204 1118382968 /nfs/dbraw/zinc/38/29/68/1118382968.db2.gz VQNMAPXYPLDYRN-UHFFFAOYSA-N 0 1 294.424 3.680 20 0 CHADMN CC[C@H](C)[C@@H](C)N(CC(=O)c1ccccc1F)C1CC1 ZINC001167357090 1118386353 /nfs/dbraw/zinc/38/63/53/1118386353.db2.gz QVGMBQYNQPGHRU-QWHCGFSZSA-N 0 1 277.383 3.907 20 0 CHADMN CC1(C)CCN(C(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000074158531 1118386403 /nfs/dbraw/zinc/38/64/03/1118386403.db2.gz DHDROMWYRZVGIG-UHFFFAOYSA-N 0 1 295.386 3.697 20 0 CHADMN CO[C@@H](c1ccccc1)[C@@H](C)NCc1cc(C(C)C)no1 ZINC000683819820 1118388388 /nfs/dbraw/zinc/38/83/88/1118388388.db2.gz YLMBWWAFMNTQLR-CXAGYDPISA-N 0 1 288.391 3.664 20 0 CHADMN CCC(C)=Nc1ccc(Br)nc1Cl ZINC001210792713 1118388890 /nfs/dbraw/zinc/38/88/90/1118388890.db2.gz QJRPQQZQCWAVTM-ZZXKWVIFSA-N 0 1 261.550 3.833 20 0 CHADMN CCCC(=O)Nc1cccc(CN[C@H](C)c2cccnc2)c1 ZINC000112529299 1118393661 /nfs/dbraw/zinc/39/36/61/1118393661.db2.gz IIOKJMXJXBHLKW-CQSZACIVSA-N 0 1 297.402 3.671 20 0 CHADMN C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1cc(Cl)ccc1[O-] ZINC000186229825 1118395384 /nfs/dbraw/zinc/39/53/84/1118395384.db2.gz VICHQAIVRAXALE-SECBINFHSA-N 0 1 297.185 3.945 20 0 CHADMN C[C@H]1CC[C@]2(CCN(Cc3ccc(Cl)cn3)C2)C1 ZINC000565560930 1118403426 /nfs/dbraw/zinc/40/34/26/1118403426.db2.gz ZHURYDBNJFKHJN-WFASDCNBSA-N 0 1 264.800 3.747 20 0 CHADMN Clc1ccsc1CN1CCOCC2(CCCC2)C1 ZINC000683839516 1118403771 /nfs/dbraw/zinc/40/37/71/1118403771.db2.gz HXCJUJCDOIQIAT-UHFFFAOYSA-N 0 1 285.840 3.794 20 0 CHADMN Cc1nccc(N2C[C@H](C)C(F)(F)[C@@H](C)C2)c1Cl ZINC000624445427 1118404845 /nfs/dbraw/zinc/40/48/45/1118404845.db2.gz JAAFPMDAMBRPED-IUCAKERBSA-N 0 1 274.742 3.771 20 0 CHADMN Cc1nccc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1Cl ZINC000624445426 1118404908 /nfs/dbraw/zinc/40/49/08/1118404908.db2.gz JAAFPMDAMBRPED-DTORHVGOSA-N 0 1 274.742 3.771 20 0 CHADMN CCCCC/C(=C/c1ccccc1)CN(C)Cc1nnc[nH]1 ZINC000255227645 1118405103 /nfs/dbraw/zinc/40/51/03/1118405103.db2.gz CIKPGAMGWGSTDH-ATVHPVEESA-N 0 1 298.434 3.900 20 0 CHADMN COc1ccncc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210924905 1118424129 /nfs/dbraw/zinc/42/41/29/1118424129.db2.gz WXAOUUAJDQIPNI-UHFFFAOYSA-N 0 1 285.130 3.846 20 0 CHADMN OCc1cccc(Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC001210926426 1118425142 /nfs/dbraw/zinc/42/51/42/1118425142.db2.gz AVPOWUQILGKXEI-UHFFFAOYSA-N 0 1 284.142 3.935 20 0 CHADMN FC1(F)CCCC[C@H]1NC1CCN(c2ccccc2)CC1 ZINC000397997994 1118432041 /nfs/dbraw/zinc/43/20/41/1118432041.db2.gz CTRQBOMIFMRVNL-MRXNPFEDSA-N 0 1 294.389 3.823 20 0 CHADMN Cn1cnc(C[N@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)c1 ZINC000683898640 1118432236 /nfs/dbraw/zinc/43/22/36/1118432236.db2.gz QQDNRIYOCKQJNL-TZZQJPOUSA-N 0 1 295.430 3.878 20 0 CHADMN Cn1cnc(CN2CCCCC[C@@H]2/C=C/c2ccccc2)c1 ZINC000683898640 1118432237 /nfs/dbraw/zinc/43/22/37/1118432237.db2.gz QQDNRIYOCKQJNL-TZZQJPOUSA-N 0 1 295.430 3.878 20 0 CHADMN COc1ccc([C@H]2CCCCCN2Cc2cn(C)cn2)cc1 ZINC000683897129 1118432306 /nfs/dbraw/zinc/43/23/06/1118432306.db2.gz OIIFBFXREWMUDZ-GOSISDBHSA-N 0 1 299.418 3.546 20 0 CHADMN Cc1ccc2oc(SCc3n[nH]c(C(C)C)n3)nc2c1 ZINC000580390987 1118442772 /nfs/dbraw/zinc/44/27/72/1118442772.db2.gz QRCFFRDWCZPYSP-UHFFFAOYSA-N 0 1 288.376 3.670 20 0 CHADMN FC(F)(F)c1cnc(CNC[C@H]2Cc3ccccc32)s1 ZINC000683927043 1118447346 /nfs/dbraw/zinc/44/73/46/1118447346.db2.gz KAZPYTDWJDDEBP-SNVBAGLBSA-N 0 1 298.333 3.591 20 0 CHADMN Cc1ccc2nc(C[NH2+]Cc3cc4ccccc4[nH]3)[nH]c2c1 ZINC000683930027 1118448384 /nfs/dbraw/zinc/44/83/84/1118448384.db2.gz SMGCNFZNMLEGAU-UHFFFAOYSA-N 0 1 290.370 3.642 20 0 CHADMN Cc1ccc2nc(CNCc3cc4ccccc4[nH]3)[nH]c2c1 ZINC000683930027 1118448386 /nfs/dbraw/zinc/44/83/86/1118448386.db2.gz SMGCNFZNMLEGAU-UHFFFAOYSA-N 0 1 290.370 3.642 20 0 CHADMN COc1cc(C)ccc1Nc1cc(C)nn1-c1ccncc1 ZINC001211114989 1118466320 /nfs/dbraw/zinc/46/63/20/1118466320.db2.gz MTBCFSMCTQUHMU-UHFFFAOYSA-N 0 1 294.358 3.636 20 0 CHADMN C[NH2+]Cc1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001211128395 1118468702 /nfs/dbraw/zinc/46/87/02/1118468702.db2.gz DFJKXNJRPQXEMG-UHFFFAOYSA-N 0 1 280.730 3.648 20 0 CHADMN CC1=CC[C@@](C)(C(=O)Nc2ccc(F)c(F)c2O)CC1 ZINC000616194960 1128780648 /nfs/dbraw/zinc/78/06/48/1128780648.db2.gz IKDMPVSIUSSUJV-OAHLLOKOSA-N 0 1 281.302 3.745 20 0 CHADMN FC(F)(F)[C@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 ZINC000684019050 1118488706 /nfs/dbraw/zinc/48/87/06/1118488706.db2.gz HNMUTENJBABWSH-LBPRGKRZSA-N 0 1 282.309 3.942 20 0 CHADMN CCc1csc(CC2CCN(Cc3ccco3)CC2)n1 ZINC000656270481 1118490710 /nfs/dbraw/zinc/49/07/10/1118490710.db2.gz FJUWKWXBLQMGPT-UHFFFAOYSA-N 0 1 290.432 3.753 20 0 CHADMN CCN(Cc1cc2ccccc2[nH]1)Cc1ccccn1 ZINC000684023327 1118490875 /nfs/dbraw/zinc/49/08/75/1118490875.db2.gz XUUMDZQVSDEMGX-UHFFFAOYSA-N 0 1 265.360 3.585 20 0 CHADMN [O-]c1cc(F)c(-c2ccc([C@@H]3CCC[NH2+]C3)cc2)cc1F ZINC001211351796 1118507192 /nfs/dbraw/zinc/50/71/92/1118507192.db2.gz CNSVWTDSBSJCKW-CYBMUJFWSA-N 0 1 289.325 3.804 20 0 CHADMN CN(Cc1nn(-c2ccccc2)c2c1CCC2)C(C)(C)C ZINC000580832205 1118511632 /nfs/dbraw/zinc/51/16/32/1118511632.db2.gz RYUGQLRGNQJJLY-UHFFFAOYSA-N 0 1 283.419 3.591 20 0 CHADMN C[C@@H]1C[C@@H]1CC(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000580923996 1118522946 /nfs/dbraw/zinc/52/29/46/1118522946.db2.gz QAKKDTZFGZYEOM-HTQZYQBOSA-N 0 1 297.280 3.566 20 0 CHADMN Cn1ccc(CNCc2ccc(-c3ccco3)cc2F)c1 ZINC000684111172 1118523118 /nfs/dbraw/zinc/52/31/18/1118523118.db2.gz NTEXYRWIPAZCQQ-UHFFFAOYSA-N 0 1 284.334 3.714 20 0 CHADMN CC[C@H]1CCCCN1C(=O)c1ccc(CN(CC)CC)o1 ZINC000047220114 1118527100 /nfs/dbraw/zinc/52/71/00/1118527100.db2.gz UHJHZWNNLFBKLA-AWEZNQCLSA-N 0 1 292.423 3.526 20 0 CHADMN Cc1sccc1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000634213624 1128784015 /nfs/dbraw/zinc/78/40/15/1128784015.db2.gz MZAFIMRSMNKXOF-CQSZACIVSA-N 0 1 280.437 3.506 20 0 CHADMN CC(C)C[C@H]1CCN(Cc2cccc(Br)n2)C1 ZINC000307823428 1118536931 /nfs/dbraw/zinc/53/69/31/1118536931.db2.gz DLIIOUBRAUVJMC-GFCCVEGCSA-N 0 1 297.240 3.712 20 0 CHADMN CCCC=CC(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC000064309838 1118537138 /nfs/dbraw/zinc/53/71/38/1118537138.db2.gz XNFLQMUHKWFTHS-IZZDOVSWSA-N 0 1 298.390 3.890 20 0 CHADMN Cc1cnn([C@@H]2CCN(Cc3ccc(Cl)cc3C)C2)c1 ZINC000352413854 1118539534 /nfs/dbraw/zinc/53/95/34/1118539534.db2.gz CCVUFAFJVYUYDW-MRXNPFEDSA-N 0 1 289.810 3.600 20 0 CHADMN C[C@H](NCc1cccc(-c2cccnc2)c1)c1ccccn1 ZINC000130151739 1118542275 /nfs/dbraw/zinc/54/22/75/1118542275.db2.gz XMJZJUFTJXCJFU-HNNXBMFYSA-N 0 1 289.382 3.994 20 0 CHADMN C[C@@H](O)CCNCc1c(Cl)ccc(Cl)c1Cl ZINC000096593356 1118544596 /nfs/dbraw/zinc/54/45/96/1118544596.db2.gz QLTRGWXRZDFXIA-SSDOTTSWSA-N 0 1 282.598 3.507 20 0 CHADMN CCn1nc(CNCc2cc(C)cs2)c2ccccc21 ZINC000393319673 1118545195 /nfs/dbraw/zinc/54/51/95/1118545195.db2.gz ZNPXBSLZYXHCSF-UHFFFAOYSA-N 0 1 285.416 3.716 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccoc1 ZINC000156919677 1118549076 /nfs/dbraw/zinc/54/90/76/1118549076.db2.gz CKEJALNKBCCNFM-KBPBESRZSA-N 0 1 298.386 3.818 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](CO)c2ccsc2)s1 ZINC000349376610 1118553235 /nfs/dbraw/zinc/55/32/35/1118553235.db2.gz GFXGGROQUMNVOG-GWCFXTLKSA-N 0 1 281.446 3.756 20 0 CHADMN CCC(F)(F)CN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000639640347 1118558330 /nfs/dbraw/zinc/55/83/30/1118558330.db2.gz COEPYILHMLNRNO-BZUAXINKSA-N 0 1 295.373 3.536 20 0 CHADMN C[N@@H+](CCCC(C)(C)C)Cc1ccc(C(=O)[O-])cc1 ZINC000305927486 1118558472 /nfs/dbraw/zinc/55/84/72/1118558472.db2.gz NVAKGHPNGRGBQP-UHFFFAOYSA-N 0 1 263.381 3.643 20 0 CHADMN CCC[C@H](CN[C@H](c1ccccc1)c1ccccn1)OC ZINC000293763737 1118558486 /nfs/dbraw/zinc/55/84/86/1118558486.db2.gz VGJARUVAKYGQOW-SJLPKXTDSA-N 0 1 284.403 3.576 20 0 CHADMN Cc1cncc(CN(C)C/C=C/c2ccccc2)c1 ZINC001207162648 1118559066 /nfs/dbraw/zinc/55/90/66/1118559066.db2.gz VDCDWMVDTPHYHB-RMKNXTFCSA-N 0 1 252.361 3.535 20 0 CHADMN CCCCC[C@H](NC)c1nc(-c2cccc(OC)c2)no1 ZINC001212281347 1128785656 /nfs/dbraw/zinc/78/56/56/1128785656.db2.gz UNEAARPWGVXXSV-AWEZNQCLSA-N 0 1 289.379 3.586 20 0 CHADMN Cc1cc2[nH]c([C@H]3CCc4ccccc4C3)nc(=O)c2s1 ZINC000656490397 1118564616 /nfs/dbraw/zinc/56/46/16/1118564616.db2.gz CBTGVJPCHHZQLU-ZDUSSCGKSA-N 0 1 296.395 3.978 20 0 CHADMN CCCc1sc(-c2nc([C@H]3CCCN3)no2)cc1CC ZINC000647155037 1118567183 /nfs/dbraw/zinc/56/71/83/1118567183.db2.gz QCMFLFUGSHEFHF-LLVKDONJSA-N 0 1 291.420 3.738 20 0 CHADMN CCc1ccc(NCc2[nH]nc3ccccc32)cc1F ZINC000676908694 1118587522 /nfs/dbraw/zinc/58/75/22/1118587522.db2.gz XPUKRTVDDIGISR-UHFFFAOYSA-N 0 1 269.323 3.877 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000891404071 1118599087 /nfs/dbraw/zinc/59/90/87/1118599087.db2.gz CUTCMZIHQNQNQV-QGZVFWFLSA-N 0 1 286.423 3.746 20 0 CHADMN Cc1cnc(CN[C@@H](C)c2cccc3ccccc32)n1C ZINC000341141024 1118605500 /nfs/dbraw/zinc/60/55/00/1118605500.db2.gz VHLRBOGWUWTBBT-AWEZNQCLSA-N 0 1 279.387 3.733 20 0 CHADMN C[C@H](c1nc(-c2ccccc2)no1)N1CCCCCC1 ZINC000072861815 1118608290 /nfs/dbraw/zinc/60/82/90/1118608290.db2.gz MBDYFISWXACSNL-CYBMUJFWSA-N 0 1 271.364 3.674 20 0 CHADMN CCc1ccc([C@H](NCCOC(C)C)c2cccnc2)cc1 ZINC000926154933 1118613103 /nfs/dbraw/zinc/61/31/03/1118613103.db2.gz KQKMALPPFOBEDE-IBGZPJMESA-N 0 1 298.430 3.748 20 0 CHADMN Nc1ncccc1CN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000656635643 1118614738 /nfs/dbraw/zinc/61/47/38/1118614738.db2.gz MGQLHXHKOWWZKV-QGZVFWFLSA-N 0 1 293.414 3.781 20 0 CHADMN CC[C@H](C)CN(CC)Cc1ncc(Br)s1 ZINC000341196206 1118617333 /nfs/dbraw/zinc/61/73/33/1118617333.db2.gz WMHRUVDGNLLZTI-VIFPVBQESA-N 0 1 291.258 3.774 20 0 CHADMN Clc1cccc2c1CN(CCOc1ccccc1)CC2 ZINC000074450079 1118623228 /nfs/dbraw/zinc/62/32/28/1118623228.db2.gz UOSBWMKFTFBSGL-UHFFFAOYSA-N 0 1 287.790 3.777 20 0 CHADMN CC[C@@H](NCc1c(OC)cccc1OC)c1ccccc1 ZINC000656679840 1118633485 /nfs/dbraw/zinc/63/34/85/1118633485.db2.gz LFWPQJQFINWNCJ-MRXNPFEDSA-N 0 1 285.387 3.945 20 0 CHADMN C/C(=C/c1ccccc1)CN1CC(CC(F)(F)F)C1 ZINC000656686658 1118636019 /nfs/dbraw/zinc/63/60/19/1118636019.db2.gz VBGBAPOIHOJLIU-GHXNOFRVSA-N 0 1 269.310 3.974 20 0 CHADMN O[C@H](CC1CCCC1)CN1CC[C@H]1c1ccc(F)cc1 ZINC000656708981 1118640918 /nfs/dbraw/zinc/64/09/18/1118640918.db2.gz SGUUXCHBVGSWFF-SJORKVTESA-N 0 1 277.383 3.514 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656761815 1118651265 /nfs/dbraw/zinc/65/12/65/1118651265.db2.gz UQLIDWLZFLGWLC-JSGCOSHPSA-N 0 1 291.391 3.941 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000656764439 1118651994 /nfs/dbraw/zinc/65/19/94/1118651994.db2.gz XZFSIPFDEHDPTJ-UHFFFAOYSA-N 0 1 281.421 3.849 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CCCCC2)[C@@H]2CCCC[C@H]12 ZINC000656767998 1118653405 /nfs/dbraw/zinc/65/34/05/1118653405.db2.gz UBCPCBZBBAVGCX-BRWVUGGUSA-N 0 1 293.451 3.922 20 0 CHADMN COc1ccsc1CNc1nccc(C)c1C1CC1 ZINC000656779945 1118654492 /nfs/dbraw/zinc/65/44/92/1118654492.db2.gz XVZKJDLRGHGWNS-UHFFFAOYSA-N 0 1 274.389 3.950 20 0 CHADMN C[N@@H+](Cc1cc[nH]c1)Cc1cccc(OC(F)(F)F)c1 ZINC000092008853 1118655303 /nfs/dbraw/zinc/65/53/03/1118655303.db2.gz LTJVGELLLARZLN-UHFFFAOYSA-N 0 1 284.281 3.545 20 0 CHADMN COc1ccc(CNc2nccc(C)c2C2CC2)cc1OC ZINC000656779600 1118655628 /nfs/dbraw/zinc/65/56/28/1118655628.db2.gz ROIRAOCHNGHYJC-UHFFFAOYSA-N 0 1 298.386 3.897 20 0 CHADMN COc1ccc(C)cc1CN[C@@H](c1ccccn1)C(C)C ZINC000076903284 1128792077 /nfs/dbraw/zinc/79/20/77/1128792077.db2.gz KFBSEQVJESITAD-GOSISDBHSA-N 0 1 284.403 3.886 20 0 CHADMN Cc1ccc(Cl)nc1C[N@H+]1CCCCC12CC2 ZINC001140443759 1118668049 /nfs/dbraw/zinc/66/80/49/1118668049.db2.gz AFPZATLTPJLFSA-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN Cc1ccc(Cl)nc1CN1CCCCC12CC2 ZINC001140443759 1118668052 /nfs/dbraw/zinc/66/80/52/1118668052.db2.gz AFPZATLTPJLFSA-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN CN(C)c1ccccc1CN[C@]1(C)CCOc2ccccc21 ZINC000933373444 1118672893 /nfs/dbraw/zinc/67/28/93/1118672893.db2.gz XVSBEKZLBAWLLE-LJQANCHMSA-N 0 1 296.414 3.540 20 0 CHADMN CC(C)[C@H]1CCC[C@H](Nc2cnn(-c3ccncc3)c2)C1 ZINC000684390202 1118675553 /nfs/dbraw/zinc/67/55/53/1118675553.db2.gz AAZYJXDWZDTHLE-GJZGRUSLSA-N 0 1 284.407 3.894 20 0 CHADMN CC[C@H](NCc1cn(C(C)C)nc1C)c1c(C)noc1C ZINC000341368073 1118676488 /nfs/dbraw/zinc/67/64/88/1118676488.db2.gz AXSJKEZCQJBZKK-HNNXBMFYSA-N 0 1 290.411 3.618 20 0 CHADMN Cc1cccc(CNc2ccc3c(c2)CN(C)C3)c1 ZINC000121295331 1118679982 /nfs/dbraw/zinc/67/99/82/1118679982.db2.gz KNFYPFJEWABGTJ-UHFFFAOYSA-N 0 1 252.361 3.553 20 0 CHADMN COc1cccc(CN(C)Cc2nc(Cl)ccc2C)c1 ZINC001140447816 1118681370 /nfs/dbraw/zinc/68/13/70/1118681370.db2.gz MLOLRULGMLNPQH-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN Cc1cnc(CN[C@H]2c3ccccc3CCC[C@H]2C)n1C ZINC000341382246 1118682266 /nfs/dbraw/zinc/68/22/66/1118682266.db2.gz DBNDMFAXYXAMJA-FZKQIMNGSA-N 0 1 283.419 3.532 20 0 CHADMN COc1cc(CN2CC(C(C)C)C2)ccc1SC ZINC000684407348 1118684215 /nfs/dbraw/zinc/68/42/15/1118684215.db2.gz CNYKOIGSELIAQU-UHFFFAOYSA-N 0 1 265.422 3.505 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H]2c2cccs2)cnc1F ZINC000891499098 1118695916 /nfs/dbraw/zinc/69/59/16/1118695916.db2.gz MMSDMUHUOMHDOX-CYBMUJFWSA-N 0 1 276.380 3.928 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2cccs2)cnc1F ZINC000891499098 1118695918 /nfs/dbraw/zinc/69/59/18/1118695918.db2.gz MMSDMUHUOMHDOX-CYBMUJFWSA-N 0 1 276.380 3.928 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)Cc1cnn(C)c1C1CC1 ZINC000891535133 1118704657 /nfs/dbraw/zinc/70/46/57/1118704657.db2.gz ABCCSOCRJYXKLC-GFCCVEGCSA-N 0 1 287.382 3.630 20 0 CHADMN C[C@@H](Cc1cccs1)[N@@H+](C)CCC(F)(F)F ZINC000081573871 1118711316 /nfs/dbraw/zinc/71/13/16/1118711316.db2.gz PPCYFMKIGOYFQO-VIFPVBQESA-N 0 1 251.317 3.563 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1nc(C(C)(C)C)co1 ZINC000891617417 1118722013 /nfs/dbraw/zinc/72/20/13/1118722013.db2.gz GXWCOJCYOZEBPI-LBPRGKRZSA-N 0 1 250.386 3.593 20 0 CHADMN CCOc1ccc(CN(C)[C@H](C)c2cccs2)o1 ZINC000891639231 1118728469 /nfs/dbraw/zinc/72/84/69/1118728469.db2.gz FPJKMSXAIANBBT-LLVKDONJSA-N 0 1 265.378 3.933 20 0 CHADMN COCc1cc(CN[C@H](C)c2cnc(C)s2)ccc1F ZINC000090417548 1118733242 /nfs/dbraw/zinc/73/32/42/1118733242.db2.gz AHHNLUQBAGOJEW-SNVBAGLBSA-N 0 1 294.395 3.588 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1cc(C)ccc1C)CCO2 ZINC000341562024 1118742813 /nfs/dbraw/zinc/74/28/13/1118742813.db2.gz SBXHTFWUSRULJH-GOSISDBHSA-N 0 1 297.398 3.925 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1cc(C)ccc1C)CCO2 ZINC000341562026 1118743409 /nfs/dbraw/zinc/74/34/09/1118743409.db2.gz SBXHTFWUSRULJH-SFHVURJKSA-N 0 1 297.398 3.925 20 0 CHADMN COc1ccc(CN2CCC[C@@H]2c2cc(C)no2)c(C)c1 ZINC000891718404 1118751013 /nfs/dbraw/zinc/75/10/13/1118751013.db2.gz LTAYWQGCUVLFPR-MRXNPFEDSA-N 0 1 286.375 3.637 20 0 CHADMN CCN(Cc1cc(OC)ccc1Br)CC1CC1 ZINC000087798529 1118768309 /nfs/dbraw/zinc/76/83/09/1118768309.db2.gz WESQJDSFSVWFLF-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN COc1ccccc1-n1nccc1C[N@@H+](C)CC1CCCC1 ZINC000430757863 1118767557 /nfs/dbraw/zinc/76/75/57/1118767557.db2.gz XNURDIPUBHOXRN-UHFFFAOYSA-N 0 1 299.418 3.503 20 0 CHADMN CC(C)OCCN[C@H](C)c1ccccc1Br ZINC000088162664 1118773076 /nfs/dbraw/zinc/77/30/76/1118773076.db2.gz UHUSPIIIDGHRDO-LLVKDONJSA-N 0 1 286.213 3.525 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccc(O)cc2)cnc1F ZINC000891795957 1118777838 /nfs/dbraw/zinc/77/78/38/1118777838.db2.gz FZBOTMGFHGJUEF-MRXNPFEDSA-N 0 1 286.350 3.572 20 0 CHADMN CCn1ccnc1[C@H]1CCCC[N@H+]1CCc1ccccc1 ZINC000430864254 1118779707 /nfs/dbraw/zinc/77/97/07/1118779707.db2.gz JQRANCVAGCSFHA-QGZVFWFLSA-N 0 1 283.419 3.673 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2C[C@H](C)n3ccnc32)c(C)c1 ZINC000293848788 1118781428 /nfs/dbraw/zinc/78/14/28/1118781428.db2.gz CMIPRUIYROKULH-DZKIICNBSA-N 0 1 269.392 3.857 20 0 CHADMN COc1cccc(CN2CC(C)=C[C@H](C)C2)c1OC(F)F ZINC000430878673 1118782729 /nfs/dbraw/zinc/78/27/29/1118782729.db2.gz OXKNEMJZNDVTRD-NSHDSACASA-N 0 1 297.345 3.695 20 0 CHADMN CCc1oc2ccccc2c1CN1CCO[C@H]2CCC[C@@H]21 ZINC000510675689 1118786926 /nfs/dbraw/zinc/78/69/26/1118786926.db2.gz RYWVQCWVRMEBPA-YJBOKZPZSA-N 0 1 285.387 3.749 20 0 CHADMN C[C@@H](NCc1ccc(Cl)s1)c1cncs1 ZINC000132887656 1118856656 /nfs/dbraw/zinc/85/66/56/1118856656.db2.gz QUARXGJZGFSFKD-SSDOTTSWSA-N 0 1 258.799 3.709 20 0 CHADMN CC[C@H](N[C@@H]1CCC[C@H](CCCC(=O)OC)C1)C(F)F ZINC000449361118 1118795122 /nfs/dbraw/zinc/79/51/22/1118795122.db2.gz KOEJETJQFSCDRV-UPJWGTAASA-N 0 1 291.382 3.522 20 0 CHADMN CC(C)(C)c1nc(CSc2ccc3c(c2)CCC3)n[nH]1 ZINC000430968452 1118795838 /nfs/dbraw/zinc/79/58/38/1118795838.db2.gz ARGZTYYZOXBLSS-UHFFFAOYSA-N 0 1 287.432 3.883 20 0 CHADMN Cc1ccc(CNc2ccc3c[nH]nc3c2)c(C)c1 ZINC000037134164 1118813363 /nfs/dbraw/zinc/81/33/63/1118813363.db2.gz LRTGVNBFARNNAI-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN CC(C)c1ccc([C@@H](C)CC(=O)N(C)Cc2cnc[nH]2)cc1 ZINC000616925438 1128802610 /nfs/dbraw/zinc/80/26/10/1128802610.db2.gz HQQJBMHZYHRYQW-AWEZNQCLSA-N 0 1 299.418 3.685 20 0 CHADMN CCC[C@H](CC1CCCCC1)C(=O)N(C)Cc1cnc[nH]1 ZINC000616925837 1128802891 /nfs/dbraw/zinc/80/28/91/1128802891.db2.gz RWXXPUFHRMGNES-OAHLLOKOSA-N 0 1 291.439 3.755 20 0 CHADMN COc1ccc(F)c(F)c1CN(C)CC1CCCC1 ZINC001143412662 1118825520 /nfs/dbraw/zinc/82/55/20/1118825520.db2.gz DXPKAJZNFNEZFQ-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN CCN(Cc1cc(C(F)(F)F)ccc1Cl)C[C@H](C)O ZINC000348705751 1118834644 /nfs/dbraw/zinc/83/46/44/1118834644.db2.gz GLVHAVCERVAFAW-VIFPVBQESA-N 0 1 295.732 3.562 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCCN1C/C=C\c1ccncc1 ZINC000426164831 1118835406 /nfs/dbraw/zinc/83/54/06/1118835406.db2.gz ZSAAXOXBHSYEIQ-SNINOXOHSA-N 0 1 284.325 3.758 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1cccc(Cl)n1 ZINC000091993045 1118837632 /nfs/dbraw/zinc/83/76/32/1118837632.db2.gz XKAHRFQPASGAHR-AWEZNQCLSA-N 0 1 275.783 3.713 20 0 CHADMN Clc1ncsc1CN1CCCSC[C@@H]1C1CC1 ZINC000933912961 1118841948 /nfs/dbraw/zinc/84/19/48/1118841948.db2.gz QUIDNFRIDUKEDL-SNVBAGLBSA-N 0 1 288.869 3.514 20 0 CHADMN COc1ccc(C[N@@H+](C)C/C(C)=C/c2ccccc2)cc1O ZINC000092405060 1118844686 /nfs/dbraw/zinc/84/46/86/1118844686.db2.gz AOFVYVVCRCDEHU-RVDMUPIBSA-N 0 1 297.398 3.936 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H]1CC[C@H](C)C1 ZINC000779260195 1128804711 /nfs/dbraw/zinc/80/47/11/1128804711.db2.gz TXMZSAPOSFORMZ-FZMZJTMJSA-N 0 1 284.359 3.731 20 0 CHADMN COc1cc(C)cc(CNc2cc[nH+]c3c([O-])cccc23)c1 ZINC000684577804 1118864418 /nfs/dbraw/zinc/86/44/18/1118864418.db2.gz GSEGGWUTEJEYIL-UHFFFAOYSA-N 0 1 294.354 3.870 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@@H]1CCC(F)(F)C1 ZINC000684578584 1118864553 /nfs/dbraw/zinc/86/45/53/1118864553.db2.gz PEFLLVIORRGXIV-SECBINFHSA-N 0 1 296.292 3.982 20 0 CHADMN [O-]c1cccc2c(N3CCc4ccsc4C3)cc[nH+]c12 ZINC000684580380 1118868260 /nfs/dbraw/zinc/86/82/60/1118868260.db2.gz YISFIZAFNUGCSL-UHFFFAOYSA-N 0 1 282.368 3.565 20 0 CHADMN C[C@H]1C[C@H](CCNc2cc[nH+]c3c([O-])cccc23)CCO1 ZINC000684582174 1118870662 /nfs/dbraw/zinc/87/06/62/1118870662.db2.gz WPZXECKZWAAHPN-QWHCGFSZSA-N 0 1 286.375 3.558 20 0 CHADMN C[C@@H]1CCCC[C@H]1CN1CC(C)(C)[C@H]1c1nccn1C ZINC000449413796 1118876239 /nfs/dbraw/zinc/87/62/39/1118876239.db2.gz KFVCIPLPSCMMAM-QLFBSQMISA-N 0 1 275.440 3.629 20 0 CHADMN COc1ccccc1/C=C/CN1CCC[C@@H]1c1ccccn1 ZINC000535780607 1118886252 /nfs/dbraw/zinc/88/62/52/1118886252.db2.gz NZKZGKJGOISLDR-AHKGRUIUSA-N 0 1 294.398 3.941 20 0 CHADMN COc1ccccc1/C=C\CN1CCC[C@H]1c1ccccn1 ZINC000535780608 1118887503 /nfs/dbraw/zinc/88/75/03/1118887503.db2.gz NZKZGKJGOISLDR-KKMIYCERSA-N 0 1 294.398 3.941 20 0 CHADMN CCOc1cccc(CN(Cc2ccccn2)C(C)C)c1 ZINC000535811946 1118888885 /nfs/dbraw/zinc/88/88/85/1118888885.db2.gz COTOKGQVCYBLQV-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN Cc1cccc(N2CCN(C/C=C\c3ccccc3)CC2)c1 ZINC000684605632 1118894334 /nfs/dbraw/zinc/89/43/34/1118894334.db2.gz HAPKTPBGXNYVFJ-POHAHGRESA-N 0 1 292.426 3.830 20 0 CHADMN C(=C\[C@@H]1CCCCCN1Cc1cc[nH]n1)\c1ccccc1 ZINC000535825375 1118901760 /nfs/dbraw/zinc/90/17/60/1118901760.db2.gz XUGKPRXZGARFJY-LENZSSGSSA-N 0 1 281.403 3.868 20 0 CHADMN Cc1cc(CN[C@H]2CCC(C)(C)c3ccccc32)ncn1 ZINC000684612716 1118902780 /nfs/dbraw/zinc/90/27/80/1118902780.db2.gz XZMANYQKCOWQTD-KRWDZBQOSA-N 0 1 281.403 3.687 20 0 CHADMN CCN(Cc1ccn(-c2cccc(F)c2)n1)CC1CCC1 ZINC000684623523 1118909998 /nfs/dbraw/zinc/90/99/98/1118909998.db2.gz FMDNILOFMNONFA-UHFFFAOYSA-N 0 1 287.382 3.633 20 0 CHADMN CC1(C)C[C@H](NCc2cc(Cl)ccc2Cl)CO1 ZINC000396496909 1118917454 /nfs/dbraw/zinc/91/74/54/1118917454.db2.gz GZXMFBKFGJBRMO-NSHDSACASA-N 0 1 274.191 3.651 20 0 CHADMN CC(=O)[C@H](C)CCSc1nnc(CCC2CCCC2)[nH]1 ZINC000657243103 1118931997 /nfs/dbraw/zinc/93/19/97/1118931997.db2.gz PFDFHPFMHNKZSW-LLVKDONJSA-N 0 1 295.452 3.635 20 0 CHADMN CC(=O)[C@H](C)CCSc1nc(CCC2CCCC2)n[nH]1 ZINC000657243103 1118932001 /nfs/dbraw/zinc/93/20/01/1118932001.db2.gz PFDFHPFMHNKZSW-LLVKDONJSA-N 0 1 295.452 3.635 20 0 CHADMN C[C@@H](COCC1CC1)NCc1csc(Cl)c1Cl ZINC000651984227 1118934848 /nfs/dbraw/zinc/93/48/48/1118934848.db2.gz XDDBVRWLHRLREY-QMMMGPOBSA-N 0 1 294.247 3.960 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2cc(C)cnc2Cl)CC1 ZINC000892008774 1118935838 /nfs/dbraw/zinc/93/58/38/1118935838.db2.gz VUGLUMAJYVBUJG-OAHLLOKOSA-N 0 1 296.842 3.825 20 0 CHADMN CC[C@@H](NCc1cnn(C)c1)c1ccc(Cl)cc1Cl ZINC000041159110 1118936590 /nfs/dbraw/zinc/93/65/90/1118936590.db2.gz DTNFZWGQLRGGSK-CQSZACIVSA-N 0 1 298.217 3.968 20 0 CHADMN C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc2c1OCC2 ZINC000892010582 1118936795 /nfs/dbraw/zinc/93/67/95/1118936795.db2.gz XLVCUHQULNTFCF-CYBMUJFWSA-N 0 1 283.371 3.520 20 0 CHADMN C[C@H](c1cccc(O)c1)N(C)Cc1cccc2c1OCC2 ZINC000892010582 1118936798 /nfs/dbraw/zinc/93/67/98/1118936798.db2.gz XLVCUHQULNTFCF-CYBMUJFWSA-N 0 1 283.371 3.520 20 0 CHADMN CCOc1cccc(CNC2(c3ccccc3OC)CC2)c1 ZINC000647232966 1118942599 /nfs/dbraw/zinc/94/25/99/1118942599.db2.gz LDJCXYJTVGXGCA-UHFFFAOYSA-N 0 1 297.398 3.873 20 0 CHADMN CCn1nc(CNCc2ccc(C)cc2C)c2ccccc21 ZINC000472047674 1118950600 /nfs/dbraw/zinc/95/06/00/1118950600.db2.gz HGSNAQNUCJJKBZ-UHFFFAOYSA-N 0 1 293.414 3.963 20 0 CHADMN COCc1csc(CN[C@H](C)c2ccc(C)o2)c1 ZINC000657291986 1118961749 /nfs/dbraw/zinc/96/17/49/1118961749.db2.gz FHTXRBRPSAOFRK-LLVKDONJSA-N 0 1 265.378 3.647 20 0 CHADMN CCCc1nc(CN2[C@@H](C)CCC[C@@H]2C)cs1 ZINC000342308041 1118972512 /nfs/dbraw/zinc/97/25/12/1118972512.db2.gz XLZTWOVGEIQZBZ-RYUDHWBXSA-N 0 1 252.427 3.859 20 0 CHADMN O=C([O-])c1cccc2c1CC[N@@H+](CCC1CCCCC1)C2 ZINC000124645070 1118977946 /nfs/dbraw/zinc/97/79/46/1118977946.db2.gz YFICHOQFGORSOD-UHFFFAOYSA-N 0 1 287.403 3.713 20 0 CHADMN CC(C)(C)c1coc(CNCCCC2CCC2)n1 ZINC000724376244 1118982020 /nfs/dbraw/zinc/98/20/20/1118982020.db2.gz MAXMKAIEKMPIBY-UHFFFAOYSA-N 0 1 250.386 3.642 20 0 CHADMN Cc1cccc(CCNCc2nc(C(C)(C)C)co2)c1 ZINC000724376547 1118982614 /nfs/dbraw/zinc/98/26/14/1118982614.db2.gz NYVWNUKDEDVZFC-UHFFFAOYSA-N 0 1 272.392 3.613 20 0 CHADMN COC[C@@H](NCc1cc(C)sc1C)c1ccc(F)cc1 ZINC000342343906 1118987257 /nfs/dbraw/zinc/98/72/57/1118987257.db2.gz NIPDCMZQFCSSND-MRXNPFEDSA-N 0 1 293.407 3.981 20 0 CHADMN Cc1c[nH]c(CN(Cc2ccccc2)[C@H](C)C2CC2)n1 ZINC000628119239 1128813971 /nfs/dbraw/zinc/81/39/71/1128813971.db2.gz IJDRAXGLVSVXSK-CQSZACIVSA-N 0 1 269.392 3.519 20 0 CHADMN CC(C)(CF)NCc1ccc(OC(F)F)c(Cl)c1 ZINC000472136587 1118989887 /nfs/dbraw/zinc/98/98/87/1118989887.db2.gz NOVZNZZGQCWKSI-UHFFFAOYSA-N 0 1 281.705 3.779 20 0 CHADMN C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CCCCCC(=O)[O-] ZINC000582067914 1119000246 /nfs/dbraw/zinc/00/02/46/1119000246.db2.gz PNNLKCJTNAWYEV-QWHCGFSZSA-N 0 1 293.382 3.778 20 0 CHADMN CCC(CC)[C@@H](NCc1nc(C)c[nH]1)c1ccccc1 ZINC000657323604 1119000974 /nfs/dbraw/zinc/00/09/74/1119000974.db2.gz DMFPBGPQRVMDQV-QGZVFWFLSA-N 0 1 271.408 3.985 20 0 CHADMN C[C@H](CC(C)(C)C)NCc1nc(C(C)(C)C)co1 ZINC000724430249 1119001217 /nfs/dbraw/zinc/00/12/17/1119001217.db2.gz UBWMBGBQUVWFJW-LLVKDONJSA-N 0 1 252.402 3.886 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccsc1)c1cccc2c1OCO2 ZINC000926368820 1119003702 /nfs/dbraw/zinc/00/37/02/1119003702.db2.gz FIVUCWMMCVFTKK-WDEREUQCSA-N 0 1 275.373 3.889 20 0 CHADMN Cc1ccc(CN[C@H](c2ncccc2C)C(C)(C)C)cn1 ZINC000934288846 1119008531 /nfs/dbraw/zinc/00/85/31/1119008531.db2.gz ZHQFASIXVBYZAW-QGZVFWFLSA-N 0 1 283.419 3.970 20 0 CHADMN Cc1cccc(CN[C@@H](c2ncccc2C)C(C)(C)C)n1 ZINC000934290089 1119009872 /nfs/dbraw/zinc/00/98/72/1119009872.db2.gz VYENCGQDQAYYHG-KRWDZBQOSA-N 0 1 283.419 3.970 20 0 CHADMN CC[C@@H]1C[C@H](NCc2c(Cl)cccc2Cl)CO1 ZINC000657337510 1119010664 /nfs/dbraw/zinc/01/06/64/1119010664.db2.gz XWKVFUFGTJHDNM-VHSXEESVSA-N 0 1 274.191 3.651 20 0 CHADMN CCCn1nccc1CNC1(c2ccc(F)cc2)CCC1 ZINC000657341887 1119012271 /nfs/dbraw/zinc/01/22/71/1119012271.db2.gz AYNRHZDBUQQJJA-UHFFFAOYSA-N 0 1 287.382 3.601 20 0 CHADMN Fc1ccc(C2(NCc3ccnn3CC3CC3)CCC2)cc1 ZINC000657343332 1119014199 /nfs/dbraw/zinc/01/41/99/1119014199.db2.gz YXTMNFJYOLMRGN-UHFFFAOYSA-N 0 1 299.393 3.601 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@@H]1NCc1cccc2cccnc21 ZINC000342425044 1119017695 /nfs/dbraw/zinc/01/76/95/1119017695.db2.gz UPXHFACYGVUVOX-SCLBCKFNSA-N 0 1 290.366 3.847 20 0 CHADMN C[C@H]1CN(Cc2cccc3[nH]c(=O)oc32)[C@@H]1c1ccccc1 ZINC000892194417 1119017738 /nfs/dbraw/zinc/01/77/38/1119017738.db2.gz FZIZLFXUUFSYIC-LRDDRELGSA-N 0 1 294.354 3.726 20 0 CHADMN Cc1c[nH]c(CN[C@@H](CC(C)C)c2ccccc2C)n1 ZINC000657358845 1119025825 /nfs/dbraw/zinc/02/58/25/1119025825.db2.gz HOMOEUDKOHWPLS-INIZCTEOSA-N 0 1 271.408 3.904 20 0 CHADMN C[C@@H](N(C)Cc1nc(C(C)(C)C)co1)C1(C)CC1 ZINC000892218424 1119031478 /nfs/dbraw/zinc/03/14/78/1119031478.db2.gz JCWFAXZUSZJCSZ-LLVKDONJSA-N 0 1 250.386 3.593 20 0 CHADMN CCc1cccc2cc(CN[C@@H](CO)c3ccccc3)oc21 ZINC000657364646 1119032423 /nfs/dbraw/zinc/03/24/23/1119032423.db2.gz XZQZBCXLBPKETD-SFHVURJKSA-N 0 1 295.382 3.818 20 0 CHADMN CC[C@H](NCc1cc2ccncc2s1)c1nccs1 ZINC000657371969 1119037711 /nfs/dbraw/zinc/03/77/11/1119037711.db2.gz ZLMOMXKQSYKOBO-LBPRGKRZSA-N 0 1 289.429 3.994 20 0 CHADMN CCCn1nccc1CNC1(c2cccc(Cl)c2)CC1 ZINC000657372555 1119038281 /nfs/dbraw/zinc/03/82/81/1119038281.db2.gz HSCNGMGKHCWBHZ-UHFFFAOYSA-N 0 1 289.810 3.725 20 0 CHADMN Cc1c[nH]c(CN[C@@H](c2ccccc2C)C(C)C)n1 ZINC000657373616 1119038688 /nfs/dbraw/zinc/03/86/88/1119038688.db2.gz XQSJXELXDKNAGC-MRXNPFEDSA-N 0 1 257.381 3.513 20 0 CHADMN CCc1cnc(CN(C)C[C@H]2CCC[C@@H](C)C2)s1 ZINC001167558339 1119039831 /nfs/dbraw/zinc/03/98/31/1119039831.db2.gz MDTXBZVJYIFVSP-OLZOCXBDSA-N 0 1 266.454 3.964 20 0 CHADMN Cc1nc(CN[C@H](CC2CC2)c2ccccc2)[nH]c1C ZINC000657376544 1119040312 /nfs/dbraw/zinc/04/03/12/1119040312.db2.gz LXVIFIUPVVMVFK-MRXNPFEDSA-N 0 1 269.392 3.658 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccnn2CC2CC2)ccc1F ZINC000657391639 1119050725 /nfs/dbraw/zinc/05/07/25/1119050725.db2.gz VTCAZQLEXFPEMJ-CYBMUJFWSA-N 0 1 287.382 3.591 20 0 CHADMN CCn1cc([C@H](C)N[C@@H]2CCSc3ccccc32)cn1 ZINC000044498083 1119056948 /nfs/dbraw/zinc/05/69/48/1119056948.db2.gz BZBWIWXMBKTGIQ-SWLSCSKDSA-N 0 1 287.432 3.791 20 0 CHADMN Cc1noc(C)c1CN1Cc2ccccc2C2(CCC2)C1 ZINC000375692121 1119063184 /nfs/dbraw/zinc/06/31/84/1119063184.db2.gz VVKTULHZPVCIDU-UHFFFAOYSA-N 0 1 282.387 3.729 20 0 CHADMN O=C(Nc1ccccc1Nc1ccncc1)c1ccsc1 ZINC000684850718 1119068713 /nfs/dbraw/zinc/06/87/13/1119068713.db2.gz QAGZUWAYGGNNRV-UHFFFAOYSA-N 0 1 295.367 3.561 20 0 CHADMN O=C(Nc1ccccc1Nc1ccncc1)[C@H]1CC=CCC1 ZINC000684851092 1119068909 /nfs/dbraw/zinc/06/89/09/1119068909.db2.gz XZNUBQJSJPRRFU-AWEZNQCLSA-N 0 1 293.370 3.542 20 0 CHADMN Cc1nsc(C)c1C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000582398700 1119072305 /nfs/dbraw/zinc/07/23/05/1119072305.db2.gz JYSASVYMNQIEGM-LBPRGKRZSA-N 0 1 260.406 3.953 20 0 CHADMN Cc1nsc(C)c1CN(C)[C@@H](C)c1ccccc1 ZINC000582398700 1119072308 /nfs/dbraw/zinc/07/23/08/1119072308.db2.gz JYSASVYMNQIEGM-LBPRGKRZSA-N 0 1 260.406 3.953 20 0 CHADMN c1ccc2sc(CN3CC[C@@H](c4cccnc4)C3)nc2c1 ZINC000582418224 1119075391 /nfs/dbraw/zinc/07/53/91/1119075391.db2.gz MHFYNTUULDMJHJ-CQSZACIVSA-N 0 1 295.411 3.681 20 0 CHADMN CCCN1CCC[C@H]1C(=O)Nc1cccc(SC)c1C ZINC000342542913 1119075935 /nfs/dbraw/zinc/07/59/35/1119075935.db2.gz PVLZNPIISCGHBQ-AWEZNQCLSA-N 0 1 292.448 3.530 20 0 CHADMN Cc1nccc(N2CC[C@]3(C)[C@H](C2)C3(F)F)c1Cl ZINC000336420167 1119076393 /nfs/dbraw/zinc/07/63/93/1119076393.db2.gz ZWOYJZIVLNFGFW-CMPLNLGQSA-N 0 1 272.726 3.525 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@@H]1NCc1cccc(F)c1F ZINC000111411589 1119082441 /nfs/dbraw/zinc/08/24/41/1119082441.db2.gz ZJXDVJNVCYWHFS-PIGZYNQJSA-N 0 1 273.326 3.988 20 0 CHADMN Cc1c[nH]c(CN[C@@H]2c3ccccc3CC[C@H]2C(C)C)n1 ZINC000657434767 1119087177 /nfs/dbraw/zinc/08/71/77/1119087177.db2.gz IMMXYWIXZVCJLO-YJBOKZPZSA-N 0 1 283.419 3.767 20 0 CHADMN Cc1c[nH]c(CN[C@H]2c3ccccc3CC[C@H]2C(C)C)n1 ZINC000657434761 1119087683 /nfs/dbraw/zinc/08/76/83/1119087683.db2.gz IMMXYWIXZVCJLO-MAUKXSAKSA-N 0 1 283.419 3.767 20 0 CHADMN CC(C)Sc1ccc(C[N@H+]2CCOC[C@H](C)C2)cc1 ZINC000511131449 1119091279 /nfs/dbraw/zinc/09/12/79/1119091279.db2.gz QQQIKPUTOHERRX-CQSZACIVSA-N 0 1 279.449 3.655 20 0 CHADMN C[C@H](c1c(F)cccc1F)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342589241 1119093852 /nfs/dbraw/zinc/09/38/52/1119093852.db2.gz MIOVFOJPTDTTRT-NEPJUHHUSA-N 0 1 269.335 3.527 20 0 CHADMN C[C@H](c1c(F)cccc1F)N(C)CC[C@@H]1CCCO1 ZINC000342589241 1119093855 /nfs/dbraw/zinc/09/38/55/1119093855.db2.gz MIOVFOJPTDTTRT-NEPJUHHUSA-N 0 1 269.335 3.527 20 0 CHADMN Cc1nccc(N2CCC[C@H](C[C@@H]3CCOC3)C2)c1Cl ZINC000684890867 1119095508 /nfs/dbraw/zinc/09/55/08/1119095508.db2.gz RQOCUHWTAXRGPT-KGLIPLIRSA-N 0 1 294.826 3.686 20 0 CHADMN Cc1ncc(CN2C[C@H](C)C[C@@H]2c2ccccc2F)o1 ZINC000628180170 1128821485 /nfs/dbraw/zinc/82/14/85/1128821485.db2.gz DWVPHRLMUTUZOJ-BDJLRTHQSA-N 0 1 274.339 3.705 20 0 CHADMN CCO[C@@H]1CCN(Cc2cnc(C(C)(C)C)s2)C[C@H]1C ZINC000449497763 1119098307 /nfs/dbraw/zinc/09/83/07/1119098307.db2.gz ROBSUMVFPXOAOR-TZMCWYRMSA-N 0 1 296.480 3.688 20 0 CHADMN CC[C@@H]1CCC[C@H](NCc2nccc(C(F)F)n2)CC1 ZINC000657466605 1119114032 /nfs/dbraw/zinc/11/40/32/1119114032.db2.gz KFMJOFSPDITQFO-NEPJUHHUSA-N 0 1 283.366 3.863 20 0 CHADMN CCn1nccc1CN(Cc1ccc(C)s1)C(C)C ZINC000119914967 1119116867 /nfs/dbraw/zinc/11/68/67/1119116867.db2.gz JCIBUMRGLOJOHB-UHFFFAOYSA-N 0 1 277.437 3.684 20 0 CHADMN CCOc1ccc(CNCc2oc(CC)nc2C)c(C)c1 ZINC000657472941 1119117337 /nfs/dbraw/zinc/11/73/37/1119117337.db2.gz CLGCJSIBCIRSIX-UHFFFAOYSA-N 0 1 288.391 3.542 20 0 CHADMN CC[C@@H]1CN(Cc2nc(C)c[nH]2)CC[C@@H]1c1ccccc1 ZINC000628188832 1128825573 /nfs/dbraw/zinc/82/55/73/1128825573.db2.gz KWTNUDDMYQNGBE-WBVHZDCISA-N 0 1 283.419 3.734 20 0 CHADMN Fc1ccc(F)c2c1CC[N@@H+](CC1CCCC1)C2 ZINC001167587193 1119122618 /nfs/dbraw/zinc/12/26/18/1119122618.db2.gz VSUYFPJJVUXSAT-UHFFFAOYSA-N 0 1 251.320 3.513 20 0 CHADMN Fc1ccc(F)c2c1CCN(CC1CCCC1)C2 ZINC001167587193 1119122619 /nfs/dbraw/zinc/12/26/19/1119122619.db2.gz VSUYFPJJVUXSAT-UHFFFAOYSA-N 0 1 251.320 3.513 20 0 CHADMN CC[C@@H]1[C@@H](C)CCN1Cc1ncc(CSC)s1 ZINC000352943381 1119123689 /nfs/dbraw/zinc/12/36/89/1119123689.db2.gz CLMQZEOTQRLBNX-CMPLNLGQSA-N 0 1 270.467 3.627 20 0 CHADMN Cc1ccc(CNCc2cc3ccncc3s2)nc1C ZINC000657488117 1119126298 /nfs/dbraw/zinc/12/62/98/1119126298.db2.gz LKOQXPWWWJGPSM-UHFFFAOYSA-N 0 1 283.400 3.598 20 0 CHADMN C[C@]1(CN2CCc3c4ccccc4[nH]c3C2)CCCS1 ZINC000628185908 1128823308 /nfs/dbraw/zinc/82/33/08/1128823308.db2.gz QFORRPOFIXXMNQ-QGZVFWFLSA-N 0 1 286.444 3.812 20 0 CHADMN Cc1ccc(CNCc2cc3n(n2)CCC3)c2ccccc12 ZINC000657490713 1119129556 /nfs/dbraw/zinc/12/95/56/1119129556.db2.gz NNLKPGNHNURJTM-UHFFFAOYSA-N 0 1 291.398 3.581 20 0 CHADMN CN(Cc1cnccn1)Cc1ccc(Cl)c2ccccc12 ZINC001167589875 1119132492 /nfs/dbraw/zinc/13/24/92/1119132492.db2.gz IYKNWIZKRPXGLT-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1ccn(-c2ccccc2)n1 ZINC000342712963 1119138399 /nfs/dbraw/zinc/13/83/99/1119138399.db2.gz JKDHWUXSIGQBEA-GJZGRUSLSA-N 0 1 269.392 3.635 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@@H]2CCCc3cccnc32)cn1 ZINC000684956339 1119141307 /nfs/dbraw/zinc/14/13/07/1119141307.db2.gz AYDZRJBSTXCWOG-XJKSGUPXSA-N 0 1 284.407 3.587 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@H]2CCCc3cccnc32)cn1 ZINC000684956337 1119141621 /nfs/dbraw/zinc/14/16/21/1119141621.db2.gz AYDZRJBSTXCWOG-CJNGLKHVSA-N 0 1 284.407 3.587 20 0 CHADMN COc1cc(C)ccc1CN[C@@H]1CCCc2cccnc21 ZINC000684957925 1119141980 /nfs/dbraw/zinc/14/19/80/1119141980.db2.gz PSILQERYJPBBKC-MRXNPFEDSA-N 0 1 282.387 3.566 20 0 CHADMN CCc1cnc(CN[C@@H]2C[C@@H](OCC(C)C)C2(C)C)s1 ZINC000224697311 1119143656 /nfs/dbraw/zinc/14/36/56/1119143656.db2.gz SNRZRYYPCIRGHO-ZIAGYGMSSA-N 0 1 296.480 3.635 20 0 CHADMN O=C(Nc1cccc2ccccc21)[C@H]1CCCc2[nH]ncc21 ZINC000342728199 1119144910 /nfs/dbraw/zinc/14/49/10/1119144910.db2.gz DKCRMWLSKCIQQF-AWEZNQCLSA-N 0 1 291.354 3.622 20 0 CHADMN Cc1cc(C(=O)CN(Cc2ccccc2)C(C)C)c(C)[nH]1 ZINC000050132501 1119145782 /nfs/dbraw/zinc/14/57/82/1119145782.db2.gz AWGHEPDWGAVOKP-UHFFFAOYSA-N 0 1 284.403 3.725 20 0 CHADMN CC(C)(C)c1cc(Nc2noc3cnccc32)ccn1 ZINC001213163127 1119148089 /nfs/dbraw/zinc/14/80/89/1119148089.db2.gz WANDPQWRFGJLLV-UHFFFAOYSA-N 0 1 268.320 3.659 20 0 CHADMN C[C@@H]1C[C@H](C)CCN(Cc2cncc(Br)c2)C1 ZINC000342752477 1119155401 /nfs/dbraw/zinc/15/54/01/1119155401.db2.gz OQMGQVAMSUROHL-VXGBXAGGSA-N 0 1 297.240 3.712 20 0 CHADMN C[C@@H]1CCN(Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC001167601982 1119160848 /nfs/dbraw/zinc/16/08/48/1119160848.db2.gz IDHYIOBKCVXJLX-GFCCVEGCSA-N 0 1 279.811 3.971 20 0 CHADMN CCCN(Cc1ncc(C)n1C)[C@@H]1CCc2ccccc21 ZINC000342790754 1119169057 /nfs/dbraw/zinc/16/90/57/1119169057.db2.gz BCKXFODRIZXLGY-QGZVFWFLSA-N 0 1 283.419 3.628 20 0 CHADMN Cc1cnc(CN[C@@H](C)c2c(C)cccc2C)s1 ZINC000342793752 1119172812 /nfs/dbraw/zinc/17/28/12/1119172812.db2.gz JEESQDIZNPJQLZ-ZDUSSCGKSA-N 0 1 260.406 3.919 20 0 CHADMN CC(C)(C)c1ncc(CN2CCCc3ccccc3C2)cn1 ZINC000342796011 1119174031 /nfs/dbraw/zinc/17/40/31/1119174031.db2.gz IXWTZVQRTWTCIZ-UHFFFAOYSA-N 0 1 295.430 3.723 20 0 CHADMN Cc1cnc(CN2CC[C@](C)(CCc3ccccc3)C2)n1C ZINC000342798062 1119174716 /nfs/dbraw/zinc/17/47/16/1119174716.db2.gz IQQOURQSMXAKNY-IBGZPJMESA-N 0 1 297.446 3.573 20 0 CHADMN COCc1nc(CN2CCC[C@H](C(C)(C)C)CC2)cs1 ZINC000075747023 1119177364 /nfs/dbraw/zinc/17/73/64/1119177364.db2.gz LAWFQYVYEMEXBN-ZDUSSCGKSA-N 0 1 296.480 3.938 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@@H]2c2ccccc2F)on1 ZINC000075901194 1119180654 /nfs/dbraw/zinc/18/06/54/1119180654.db2.gz XKGOPNVDUSGCGJ-BDJLRTHQSA-N 0 1 274.339 3.705 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1C[C@H](C)[C@H](C)C1 ZINC000076111971 1119182615 /nfs/dbraw/zinc/18/26/15/1119182615.db2.gz KXKIOKZZFNBFTJ-GASCZTMLSA-N 0 1 288.435 3.645 20 0 CHADMN C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCC[C@H]1C ZINC000076117923 1119183388 /nfs/dbraw/zinc/18/33/88/1119183388.db2.gz PHDBTPORIAZLOV-MNOVXSKESA-N 0 1 291.782 3.935 20 0 CHADMN CSc1ccc([C@H](C)NCc2cc(C)nc(C)n2)cc1 ZINC000342809148 1119184548 /nfs/dbraw/zinc/18/45/48/1119184548.db2.gz HLHPIUIMOVBSEX-LBPRGKRZSA-N 0 1 287.432 3.666 20 0 CHADMN CSc1ccc([C@@H](C)NCc2cc(C)nc(C)n2)cc1 ZINC000342809147 1119184737 /nfs/dbraw/zinc/18/47/37/1119184737.db2.gz HLHPIUIMOVBSEX-GFCCVEGCSA-N 0 1 287.432 3.666 20 0 CHADMN Cc1ncc(CN[C@H](c2ccccc2)C(C)(C)C)o1 ZINC000628202456 1128827451 /nfs/dbraw/zinc/82/74/51/1128827451.db2.gz VLIDANPWBGSAKD-OAHLLOKOSA-N 0 1 258.365 3.860 20 0 CHADMN CC[C@H](COCC1CC1)NCc1ncc(C(C)(C)C)s1 ZINC000657563420 1119186553 /nfs/dbraw/zinc/18/65/53/1119186553.db2.gz TXYDUNWBAFMKIX-CYBMUJFWSA-N 0 1 296.480 3.735 20 0 CHADMN Cc1c[nH]c(CN(Cc2cccc(C)c2)CC(C)C)n1 ZINC000628142594 1119189570 /nfs/dbraw/zinc/18/95/70/1119189570.db2.gz JVHHGYSZAXWXIZ-UHFFFAOYSA-N 0 1 271.408 3.685 20 0 CHADMN Fc1ccc([C@@H]2CCC[N@H+]2CCC(F)(F)F)cc1 ZINC000077248516 1119191020 /nfs/dbraw/zinc/19/10/20/1119191020.db2.gz KHYUANGZIDYNNM-LBPRGKRZSA-N 0 1 261.262 3.915 20 0 CHADMN Fc1ccc([C@@H]2CCCN2CCC(F)(F)F)cc1 ZINC000077248516 1119191021 /nfs/dbraw/zinc/19/10/21/1119191021.db2.gz KHYUANGZIDYNNM-LBPRGKRZSA-N 0 1 261.262 3.915 20 0 CHADMN Cn1nc2c(c1Nc1ccnc(C(C)(C)C)c1)CCCC2 ZINC001213163944 1119191027 /nfs/dbraw/zinc/19/10/27/1119191027.db2.gz DHXBUNKKLBUHKN-UHFFFAOYSA-N 0 1 284.407 3.735 20 0 CHADMN CCN(CC)CC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000051880246 1119201401 /nfs/dbraw/zinc/20/14/01/1119201401.db2.gz WSIZSLPPOTZMPO-UHFFFAOYSA-N 0 1 296.370 3.866 20 0 CHADMN COC[C@H](NCc1ccsc1C)c1cccc(OC)c1 ZINC000657611564 1119206484 /nfs/dbraw/zinc/20/64/84/1119206484.db2.gz FAVCOKSMWSXQTM-INIZCTEOSA-N 0 1 291.416 3.542 20 0 CHADMN COc1cc(CN2CC[C@H]2C(C)C)cc(Cl)c1OC ZINC000342847377 1119207050 /nfs/dbraw/zinc/20/70/50/1119207050.db2.gz BGSXSCCEZJTNCF-ZDUSSCGKSA-N 0 1 283.799 3.588 20 0 CHADMN CCc1ncc(CN[C@H](c2ccccc2F)C(C)C)cn1 ZINC000657613999 1119209427 /nfs/dbraw/zinc/20/94/27/1119209427.db2.gz ARFJQTOFFWRCKF-KRWDZBQOSA-N 0 1 287.382 3.665 20 0 CHADMN C[C@H](N[C@@H](C)C1CC1)c1nc(C2CCCCC2)no1 ZINC000237524582 1119210606 /nfs/dbraw/zinc/21/06/06/1119210606.db2.gz NLDCVUMNJXTNSY-QWRGUYRKSA-N 0 1 263.385 3.566 20 0 CHADMN CC(C)[C@H]1CCN1Cc1coc(-c2ccccc2)n1 ZINC000342859874 1119212853 /nfs/dbraw/zinc/21/28/53/1119212853.db2.gz IDYNURVDZRNDGU-OAHLLOKOSA-N 0 1 256.349 3.572 20 0 CHADMN Cc1nc(CN2CCC[C@H](Cc3ccc(C)cc3)C2)[nH]c1C ZINC000628160486 1119218896 /nfs/dbraw/zinc/21/88/96/1119218896.db2.gz WNCVLHDZTJBUMM-GOSISDBHSA-N 0 1 297.446 3.790 20 0 CHADMN COCc1cnc(CN2CCC[C@H]2CCC(C)C)s1 ZINC000342901263 1119238362 /nfs/dbraw/zinc/23/83/62/1119238362.db2.gz LBNWYNUUPIYPHQ-ZDUSSCGKSA-N 0 1 282.453 3.690 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](c2ncccc2C)C(C)C)c(C)n1 ZINC000120521482 1119241688 /nfs/dbraw/zinc/24/16/88/1119241688.db2.gz JXXIBGFHZGEPLB-WMLDXEAASA-N 0 1 298.434 3.845 20 0 CHADMN c1cc(Oc2ccccc2)oc1CN1CC(C2CC2)C1 ZINC000643345205 1119246953 /nfs/dbraw/zinc/24/69/53/1119246953.db2.gz IHTLFFQBTZNCTQ-UHFFFAOYSA-N 0 1 269.344 3.914 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1Cc1ncc(COC)s1 ZINC000342918811 1119247116 /nfs/dbraw/zinc/24/71/16/1119247116.db2.gz QMZWKGVAFZVPCS-GXTWGEPZSA-N 0 1 282.453 3.690 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cnc(CC(C)C)s2)s1 ZINC000090668644 1119247766 /nfs/dbraw/zinc/24/77/66/1119247766.db2.gz VRCLYVUIEJDWRG-SNVBAGLBSA-N 0 1 295.477 3.957 20 0 CHADMN Oc1ccc2c(c1)[C@H](NCc1ccc(Cl)c(F)c1)CC2 ZINC000657694575 1119250102 /nfs/dbraw/zinc/25/01/02/1119250102.db2.gz UBVJTMGTFSHTEH-MRXNPFEDSA-N 0 1 291.753 3.962 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(F)cc1F ZINC000120874807 1119251656 /nfs/dbraw/zinc/25/16/56/1119251656.db2.gz IQVDBVSOTWEELX-MEDUHNTESA-N 0 1 293.361 3.890 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2nc(C)ccc2O)cc1 ZINC000349801866 1119253560 /nfs/dbraw/zinc/25/35/60/1119253560.db2.gz QRNDIRBVDMEPPW-KRWDZBQOSA-N 0 1 282.387 3.741 20 0 CHADMN C[C@H](N[C@H]1CCOC1)c1cc(Cl)cc(Cl)c1F ZINC000692390051 1119254941 /nfs/dbraw/zinc/25/49/41/1119254941.db2.gz LOHMLNZVMXEVTR-CBAPKCEASA-N 0 1 278.154 3.572 20 0 CHADMN Cc1cc([C@H]2CCCN2CCOc2ccccc2C)on1 ZINC000052008065 1119262135 /nfs/dbraw/zinc/26/21/35/1119262135.db2.gz NOMGOZNXMYHMTC-OAHLLOKOSA-N 0 1 286.375 3.507 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN1CCCC1(C)C ZINC000343001838 1119277811 /nfs/dbraw/zinc/27/78/11/1119277811.db2.gz HFRDCINTHNQUML-UHFFFAOYSA-N 0 1 270.376 3.533 20 0 CHADMN C[N@H+](Cc1c(F)cccc1Cl)C[C@H]1CC1(C)C ZINC001203408626 1119286800 /nfs/dbraw/zinc/28/68/00/1119286800.db2.gz DGNCQNGCVHBPFU-SNVBAGLBSA-N 0 1 255.764 3.957 20 0 CHADMN CN(Cc1c(F)cccc1Cl)C[C@H]1CC1(C)C ZINC001203408626 1119286803 /nfs/dbraw/zinc/28/68/03/1119286803.db2.gz DGNCQNGCVHBPFU-SNVBAGLBSA-N 0 1 255.764 3.957 20 0 CHADMN Cc1nc(C[N@@H+]2C[C@H](C(C)C)[C@H]2C(C)C)cs1 ZINC000449551712 1119288253 /nfs/dbraw/zinc/28/82/53/1119288253.db2.gz HCXZJLGHEKLLAX-ZIAGYGMSSA-N 0 1 252.427 3.564 20 0 CHADMN Cc1nc(CN2C[C@H](C(C)C)[C@H]2C(C)C)cs1 ZINC000449551712 1119288257 /nfs/dbraw/zinc/28/82/57/1119288257.db2.gz HCXZJLGHEKLLAX-ZIAGYGMSSA-N 0 1 252.427 3.564 20 0 CHADMN Cc1cnc(CN[C@@H]2CCCc3ccccc32)s1 ZINC000123002967 1119289979 /nfs/dbraw/zinc/28/99/79/1119289979.db2.gz PCCYWISKGYANQV-CQSZACIVSA-N 0 1 258.390 3.619 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1nc2ccccc2s1 ZINC000225966003 1119300066 /nfs/dbraw/zinc/30/00/66/1119300066.db2.gz RZGKHBJBWNSYKS-MRVPVSSYSA-N 0 1 274.311 3.727 20 0 CHADMN CCC[C@@H](NCc1conc1CC)c1ccccc1 ZINC000660174350 1128836055 /nfs/dbraw/zinc/83/60/55/1128836055.db2.gz LIAPORJGLQKSTC-MRXNPFEDSA-N 0 1 258.365 3.868 20 0 CHADMN Cc1cc(F)c(CNC[C@H]2C(C)(C)C2(F)F)c(F)c1 ZINC000657738727 1119307931 /nfs/dbraw/zinc/30/79/31/1119307931.db2.gz NJAQWLWVMUEANR-LBPRGKRZSA-N 0 1 275.289 3.654 20 0 CHADMN CCCCC[C@@H](C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)C(C)C ZINC000161579120 1119310539 /nfs/dbraw/zinc/31/05/39/1119310539.db2.gz PVGDJDBIZNFVMH-XJKSGUPXSA-N 0 1 293.455 3.618 20 0 CHADMN CC(C)c1cccc(CN2CCOC(C)(C)[C@H]2C)c1 ZINC001167658000 1119310924 /nfs/dbraw/zinc/31/09/24/1119310924.db2.gz BDZMWLDTYDARSA-CQSZACIVSA-N 0 1 261.409 3.809 20 0 CHADMN CC[C@H]1CN(Cc2nccc(C)n2)CC[C@@H]1c1ccccc1 ZINC000535962960 1119315605 /nfs/dbraw/zinc/31/56/05/1119315605.db2.gz IWXMIEBAWXINCF-WMZOPIPTSA-N 0 1 295.430 3.801 20 0 CHADMN Cc1cc([C@H](C)NCc2cccnc2N(C)C)c(C)s1 ZINC000154728420 1119317955 /nfs/dbraw/zinc/31/79/55/1119317955.db2.gz NFDSIQPXKBACAA-LBPRGKRZSA-N 0 1 289.448 3.677 20 0 CHADMN COc1ccccc1CN[C@H](c1ccccc1)[C@H](O)C(C)C ZINC000657742976 1119320627 /nfs/dbraw/zinc/32/06/27/1119320627.db2.gz XRMSRLLECBLHTD-RTBURBONSA-N 0 1 299.414 3.543 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c(O)cccc1F ZINC000124778362 1119320787 /nfs/dbraw/zinc/32/07/87/1119320787.db2.gz DAGSESIXFNEUGF-GXTWGEPZSA-N 0 1 299.345 3.550 20 0 CHADMN CC[C@@H]1CCN(CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000125077073 1119325564 /nfs/dbraw/zinc/32/55/64/1119325564.db2.gz SIVCGIZDSHJNLH-OAHLLOKOSA-N 0 1 288.435 3.789 20 0 CHADMN Cc1nnc(CN2CCCC[C@@H]2CCCc2ccccc2)o1 ZINC000125082852 1119325601 /nfs/dbraw/zinc/32/56/01/1119325601.db2.gz IBUWFHYBVPUAPA-QGZVFWFLSA-N 0 1 299.418 3.755 20 0 CHADMN CCCCN(CC)C(=O)c1c[nH]c2c(C)cccc2c1=O ZINC000155085330 1119327680 /nfs/dbraw/zinc/32/76/80/1119327680.db2.gz KXXXKDQHLHATLB-UHFFFAOYSA-N 0 1 286.375 3.511 20 0 CHADMN CCC(C)(C)CCN1CCO[C@H](c2cccc(OC)c2)C1 ZINC001167662655 1119328354 /nfs/dbraw/zinc/32/83/54/1119328354.db2.gz AJSDYMVHDXRNCY-KRWDZBQOSA-N 0 1 291.435 3.895 20 0 CHADMN CC[C@H](COC)N[C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000155270554 1119331149 /nfs/dbraw/zinc/33/11/49/1119331149.db2.gz MPJIKXVTFZBVEP-RKDXNWHRSA-N 0 1 296.358 3.628 20 0 CHADMN CCC[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000147896258 1119339825 /nfs/dbraw/zinc/33/98/25/1119339825.db2.gz ZBKLGMSBWMVCGI-XQQFMLRXSA-N 0 1 296.842 3.684 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)CCC(C)C)c1 ZINC000126676297 1119351589 /nfs/dbraw/zinc/35/15/89/1119351589.db2.gz YIPIJPAMAYDCFZ-OAHLLOKOSA-N 0 1 276.424 3.608 20 0 CHADMN Clc1cccc(Cl)c1[C@H](N[C@@H]1CCOC1)C1CC1 ZINC000583469492 1119362378 /nfs/dbraw/zinc/36/23/78/1119362378.db2.gz PFVHKLWMVZVCAH-QMTHXVAHSA-N 0 1 286.202 3.823 20 0 CHADMN Cc1ncc(CN[C@@H]2CC[C@@H](C)c3ccccc32)o1 ZINC000335282539 1119363796 /nfs/dbraw/zinc/36/37/96/1119363796.db2.gz ZHDRALPHJUGUIR-BDJLRTHQSA-N 0 1 256.349 3.711 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CCCCCCC1 ZINC000728569608 1119377453 /nfs/dbraw/zinc/37/74/53/1119377453.db2.gz OUQMQNYIBJRAHJ-UHFFFAOYSA-N 0 1 289.398 3.961 20 0 CHADMN COc1ccc(CNCc2cnc(C)cc2C)c(Cl)c1 ZINC000449733114 1119386530 /nfs/dbraw/zinc/38/65/30/1119386530.db2.gz GJDFIQMZQGOCCL-UHFFFAOYSA-N 0 1 290.794 3.650 20 0 CHADMN c1nc(C2CC2)oc1CNC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000628286107 1128842873 /nfs/dbraw/zinc/84/28/73/1128842873.db2.gz WIPQMRJURXITQL-WBVHZDCISA-N 0 1 298.386 3.562 20 0 CHADMN c1nc(C2CC2)sc1CN[C@H](c1cccnc1)C1CC1 ZINC000536100230 1119393119 /nfs/dbraw/zinc/39/31/19/1119393119.db2.gz ZMVLTOAAFWTQOC-HNNXBMFYSA-N 0 1 285.416 3.656 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc3c(c2)COC3)o1 ZINC000343366382 1119398644 /nfs/dbraw/zinc/39/86/44/1119398644.db2.gz OIKXAHJLBXRIHI-PXAZEXFGSA-N 0 1 283.371 3.723 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1cnc(C2CC2)o1 ZINC000628120962 1119401359 /nfs/dbraw/zinc/40/13/59/1119401359.db2.gz LPXNKBOIKKJUKW-GFCCVEGCSA-N 0 1 256.349 3.745 20 0 CHADMN CCn1cc(CNCc2ccc(C(C)(C)C)s2)cn1 ZINC000269276314 1119402095 /nfs/dbraw/zinc/40/20/95/1119402095.db2.gz IROWCPIRRCZOTC-UHFFFAOYSA-N 0 1 277.437 3.552 20 0 CHADMN CC(C)CCN(C(=O)c1cnc(C2CC2)[nH]1)C1CCCC1 ZINC000343395264 1119408349 /nfs/dbraw/zinc/40/83/49/1119408349.db2.gz IBRHDWQULCIMGF-UHFFFAOYSA-N 0 1 289.423 3.718 20 0 CHADMN COCc1ccc(CN[C@@H]2CCCc3c(C)cccc32)o1 ZINC000657796641 1119415985 /nfs/dbraw/zinc/41/59/85/1119415985.db2.gz GYOPVIKGEXDWHL-GOSISDBHSA-N 0 1 285.387 3.902 20 0 CHADMN Cc1nc(CN[C@@H]2CCCc3c(C)cccc32)[nH]c1C ZINC000657796718 1119416041 /nfs/dbraw/zinc/41/60/41/1119416041.db2.gz IGDVLQLBBXEIKT-MRXNPFEDSA-N 0 1 269.392 3.502 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000583817929 1119417910 /nfs/dbraw/zinc/41/79/10/1119417910.db2.gz HSMVGYWZYYMLIN-BLLLJJGKSA-N 0 1 293.382 3.925 20 0 CHADMN C[C@@H](NC/C=C\Cl)c1ccc(Br)cc1F ZINC000308921702 1119419077 /nfs/dbraw/zinc/41/90/77/1119419077.db2.gz CGROUBRRUOCXOR-ZTHSNPKKSA-N 0 1 292.579 3.991 20 0 CHADMN CC(C)c1cc(C(=O)N2CCCC3(CCCC3)CC2)n[nH]1 ZINC000617566068 1128846143 /nfs/dbraw/zinc/84/61/43/1128846143.db2.gz SYPXKYUYFBQPEG-UHFFFAOYSA-N 0 1 289.423 3.720 20 0 CHADMN CCOc1ccccc1CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000132252271 1119445297 /nfs/dbraw/zinc/44/52/97/1119445297.db2.gz VIITUDLNLMCYTF-AWEZNQCLSA-N 0 1 287.407 3.714 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccccc2-n2cccn2)o1 ZINC000151364790 1119451870 /nfs/dbraw/zinc/45/18/70/1119451870.db2.gz NHNAFLIHCWQJIC-CQSZACIVSA-N 0 1 295.386 3.879 20 0 CHADMN Cc1ccccc1[C@H](N[C@H](C)c1cnccn1)C1CC1 ZINC000343563633 1119456366 /nfs/dbraw/zinc/45/63/66/1119456366.db2.gz AHRUFYIVBHHBCN-CXAGYDPISA-N 0 1 267.376 3.587 20 0 CHADMN Cc1ccccc1[C@@H](N[C@H](C)c1cnccn1)C1CC1 ZINC000343563634 1119456377 /nfs/dbraw/zinc/45/63/77/1119456377.db2.gz AHRUFYIVBHHBCN-DYVFJYSZSA-N 0 1 267.376 3.587 20 0 CHADMN CC(C)c1nnc(CN[C@@H](C)CCCC(F)(F)F)s1 ZINC000359615874 1119472923 /nfs/dbraw/zinc/47/29/23/1119472923.db2.gz ABSSXWCWISZRDQ-VIFPVBQESA-N 0 1 295.374 3.872 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CCN1Cc1nccs1 ZINC000343666765 1119483212 /nfs/dbraw/zinc/48/32/12/1119483212.db2.gz YFXACQCQWVKUQZ-UKRRQHHQSA-N 0 1 272.417 3.911 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CCN1Cc1nccs1 ZINC000343666753 1119483545 /nfs/dbraw/zinc/48/35/45/1119483545.db2.gz YFXACQCQWVKUQZ-DZGCQCFKSA-N 0 1 272.417 3.911 20 0 CHADMN CSc1ccc(N[C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000343729097 1119496176 /nfs/dbraw/zinc/49/61/76/1119496176.db2.gz UIAZGGPNWJOFMO-OAHLLOKOSA-N 0 1 296.399 3.728 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)N[C@@H]1CCCn2nccc21 ZINC000657839346 1119501470 /nfs/dbraw/zinc/50/14/70/1119501470.db2.gz SLCKSTKBQDYXGW-GDBMZVCRSA-N 0 1 299.418 3.856 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NC1(c2cccc(F)c2)CCC1 ZINC000647331009 1119514147 /nfs/dbraw/zinc/51/41/47/1119514147.db2.gz RWLIOKGLNUEQJD-GFCCVEGCSA-N 0 1 287.382 3.598 20 0 CHADMN CCc1ncc(CNC(C)(C)c2ccccc2OC)s1 ZINC000084020359 1119525733 /nfs/dbraw/zinc/52/57/33/1119525733.db2.gz AUNPJOOYNDHPPS-UHFFFAOYSA-N 0 1 290.432 3.739 20 0 CHADMN CC(C)[N@@H+](CC[C@H](C(=O)[O-])c1ccccc1)C1CCC1 ZINC000584416092 1119532997 /nfs/dbraw/zinc/53/29/97/1119532997.db2.gz MEXKDFGALHJZJH-INIZCTEOSA-N 0 1 275.392 3.508 20 0 CHADMN Clc1cccnc1NC[C@H](c1ccco1)N1CCCC1 ZINC000088698793 1119536909 /nfs/dbraw/zinc/53/69/09/1119536909.db2.gz CQWGXWUDEOQXQR-CYBMUJFWSA-N 0 1 291.782 3.577 20 0 CHADMN CCCCN(C(=O)c1cnc(C)[nH]1)[C@@H](C)c1ccc(C)o1 ZINC000600975020 1119544527 /nfs/dbraw/zinc/54/45/27/1119544527.db2.gz QXNRLPAUAVETLJ-LBPRGKRZSA-N 0 1 289.379 3.623 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](NCc1nccn1C)CCC2 ZINC000090407864 1119544724 /nfs/dbraw/zinc/54/47/24/1119544724.db2.gz NLYBQKIRCDTODY-KRWDZBQOSA-N 0 1 283.419 3.711 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2C)C(C)C)on1 ZINC000091333229 1119554488 /nfs/dbraw/zinc/55/44/88/1119554488.db2.gz WLJGHILZKGTHGV-INIZCTEOSA-N 0 1 258.365 3.778 20 0 CHADMN C[C@H](NCc1cccc(O)c1)c1ccc(C(F)F)nc1 ZINC000657865532 1119558435 /nfs/dbraw/zinc/55/84/35/1119558435.db2.gz UMDOSRDGYRQGQC-JTQLQIEISA-N 0 1 278.302 3.576 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H](C)c3ccsc3)ccc12 ZINC000091826859 1119559945 /nfs/dbraw/zinc/55/99/45/1119559945.db2.gz WYFOIDXYPKICAZ-VIFPVBQESA-N 0 1 285.372 3.675 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)CCC(C)(C)C)ccc12 ZINC000091836069 1119560232 /nfs/dbraw/zinc/56/02/32/1119560232.db2.gz ISVXVWXXKFTBAB-UHFFFAOYSA-N 0 1 259.353 3.636 20 0 CHADMN Cc1occc1CN(C)Cc1c[nH]nc1-c1cccs1 ZINC000092438557 1119562379 /nfs/dbraw/zinc/56/23/79/1119562379.db2.gz KUUDROVFZLWHRS-UHFFFAOYSA-N 0 1 287.388 3.672 20 0 CHADMN Clc1ccc(CN2CC[C@@H](Nc3ccccc3)C2)o1 ZINC000092757585 1119566394 /nfs/dbraw/zinc/56/63/94/1119566394.db2.gz BBMVKGNDTPSVAN-CYBMUJFWSA-N 0 1 276.767 3.619 20 0 CHADMN COCc1ccc(CN2CCc3ccccc3[C@H]2C)o1 ZINC000093149295 1119569717 /nfs/dbraw/zinc/56/97/17/1119569717.db2.gz QZIGDUYFUPTJER-CYBMUJFWSA-N 0 1 271.360 3.545 20 0 CHADMN Cc1ccc(CN[C@@H](CO)c2ccc(Cl)cc2)s1 ZINC000093114204 1119570033 /nfs/dbraw/zinc/57/00/33/1119570033.db2.gz NNYLQEDGCJUQJP-AWEZNQCLSA-N 0 1 281.808 3.533 20 0 CHADMN CCc1cnc(CN(C)[C@@H]2CCC[C@H](C)C2)s1 ZINC000093807613 1119571236 /nfs/dbraw/zinc/57/12/36/1119571236.db2.gz SZRLPEROWZRRKA-NWDGAFQWSA-N 0 1 252.427 3.716 20 0 CHADMN COc1ccccc1[C@H]1CCN(Cc2ccc(Cl)o2)C1 ZINC000093592935 1119571583 /nfs/dbraw/zinc/57/15/83/1119571583.db2.gz OUSYVZPERHCYSH-LBPRGKRZSA-N 0 1 291.778 3.931 20 0 CHADMN CCCCC1(C(=O)Nc2cc(C(C)=O)ccc2O)CC1 ZINC000935259453 1119582741 /nfs/dbraw/zinc/58/27/41/1119582741.db2.gz IBGRAHSVNWVYTI-UHFFFAOYSA-N 0 1 275.348 3.504 20 0 CHADMN Cc1ccc(CN2CCN(c3ccc(F)cc3)CC2)s1 ZINC000197610657 1119586603 /nfs/dbraw/zinc/58/66/03/1119586603.db2.gz UHJUOBIITDBIPC-UHFFFAOYSA-N 0 1 290.407 3.518 20 0 CHADMN Cc1cc(CN2CCC[C@@]23CCOC3)cc(C(F)(F)F)c1 ZINC001143456909 1119591223 /nfs/dbraw/zinc/59/12/23/1119591223.db2.gz CEVFNLGIDVANLV-HNNXBMFYSA-N 0 1 299.336 3.769 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cc(F)ccc1C ZINC000129076436 1119599615 /nfs/dbraw/zinc/59/96/15/1119599615.db2.gz PQTRHLSYTJASEI-SNVBAGLBSA-N 0 1 262.328 3.590 20 0 CHADMN CC(C)C[C@H](C)CN[C@H](c1nccn1C)c1ccccc1 ZINC000685421249 1119605368 /nfs/dbraw/zinc/60/53/68/1119605368.db2.gz NNENMJIXVFEZCA-RDJZCZTQSA-N 0 1 285.435 3.781 20 0 CHADMN CCC[C@@H](C)CN(C)Cc1nc(-c2cccs2)no1 ZINC000685436268 1119606675 /nfs/dbraw/zinc/60/66/75/1119606675.db2.gz FUXIBJZSPZFAND-LLVKDONJSA-N 0 1 279.409 3.666 20 0 CHADMN FC(F)C1(NCCCc2ccc3c(c2)CCO3)CCCC1 ZINC000685477016 1119614285 /nfs/dbraw/zinc/61/42/85/1119614285.db2.gz OBBJZWVFXAUKAY-UHFFFAOYSA-N 0 1 295.373 3.722 20 0 CHADMN c1[nH]c(-c2ccccc2)nc1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000628422858 1128858072 /nfs/dbraw/zinc/85/80/72/1128858072.db2.gz ONFKRYXJJRTPMM-CVEARBPZSA-N 0 1 299.443 3.547 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccc(C)cc2)o1 ZINC000650807145 1119617588 /nfs/dbraw/zinc/61/75/88/1119617588.db2.gz QKLNDIMGQXMLRS-OAHLLOKOSA-N 0 1 287.359 3.550 20 0 CHADMN CC[C@H](CC(F)F)CN1CCOc2cc(F)ccc2C1 ZINC000626153401 1119620011 /nfs/dbraw/zinc/62/00/11/1119620011.db2.gz HSLUZNLPOUMABV-LLVKDONJSA-N 0 1 287.325 3.702 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](C)c1cc2cnccc2o1 ZINC000657902816 1119620404 /nfs/dbraw/zinc/62/04/04/1119620404.db2.gz AKXQABORZUVADO-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN C[C@@H](CN1Cc2ccc(O)cc2C1)c1ccc(F)cc1 ZINC000628419299 1128858611 /nfs/dbraw/zinc/85/86/11/1128858611.db2.gz SRLCOJBWNIXJHA-LBPRGKRZSA-N 0 1 271.335 3.651 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2cnn(C)c2C)cs1 ZINC000294263545 1119626087 /nfs/dbraw/zinc/62/60/87/1119626087.db2.gz RCTQPPWKQPHSDB-GHMZBOCLSA-N 0 1 263.410 3.510 20 0 CHADMN CC[C@@H](CSc1ccc(C)c(C)c1)NCc1ncc[nH]1 ZINC000131195451 1119628470 /nfs/dbraw/zinc/62/84/70/1119628470.db2.gz PGEHAEUJEJAKNW-AWEZNQCLSA-N 0 1 289.448 3.687 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@H]1CCc2cc(F)ccc21 ZINC000131226241 1119629198 /nfs/dbraw/zinc/62/91/98/1119629198.db2.gz MMOPMLHDUXFANP-PSLIRLAXSA-N 0 1 274.339 3.769 20 0 CHADMN Cc1nc(C)c(CN(Cc2ccc(F)cc2)C(C)C)o1 ZINC000685561689 1119630332 /nfs/dbraw/zinc/63/03/32/1119630332.db2.gz LSWIKYVRFYOXIH-UHFFFAOYSA-N 0 1 276.355 3.841 20 0 CHADMN Cc1nc(C)c(CN(C)[C@@H](C)c2ccccc2C)o1 ZINC000685561750 1119630805 /nfs/dbraw/zinc/63/08/05/1119630805.db2.gz DLANTVHSOBMUJD-ZDUSSCGKSA-N 0 1 258.365 3.793 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@H]2c2ccc(F)cc2)o1 ZINC000685560958 1119630925 /nfs/dbraw/zinc/63/09/25/1119630925.db2.gz LFSWIXMOLUOCDE-HNNXBMFYSA-N 0 1 274.339 3.768 20 0 CHADMN Brc1ccc(CN2CC[C@@H]3CCC[C@H]32)s1 ZINC000306449267 1119635134 /nfs/dbraw/zinc/63/51/34/1119635134.db2.gz AIHFAVSSAJOVIZ-GXSJLCMTSA-N 0 1 286.238 3.885 20 0 CHADMN CC(C)c1cccc(C(=O)Nc2cc(CN(C)C)ccn2)c1 ZINC000611970578 1119636469 /nfs/dbraw/zinc/63/64/69/1119636469.db2.gz NZGYVQSEXKVVEM-UHFFFAOYSA-N 0 1 297.402 3.519 20 0 CHADMN COC[C@@H](N[C@@H](C)c1cc2cnccc2o1)c1ccccc1 ZINC000657916589 1119638604 /nfs/dbraw/zinc/63/86/04/1119638604.db2.gz HOHYSAPTFXMVKP-XJKSGUPXSA-N 0 1 296.370 3.866 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(CCC(C)C)cc1 ZINC000685619015 1119639309 /nfs/dbraw/zinc/63/93/09/1119639309.db2.gz QZGHRMKEHDXBBQ-UHFFFAOYSA-N 0 1 257.381 3.919 20 0 CHADMN Cc1cc([C@@H](C)NCCc2ccc(C(F)(F)F)cc2)no1 ZINC000685643879 1119643169 /nfs/dbraw/zinc/64/31/69/1119643169.db2.gz VLZIKVQVTDMQBO-LLVKDONJSA-N 0 1 298.308 3.895 20 0 CHADMN CC(C)c1ccccc1CNCc1cccc2c1OCCO2 ZINC000782540373 1119653286 /nfs/dbraw/zinc/65/32/86/1119653286.db2.gz VICJYOYICIKENN-UHFFFAOYSA-N 0 1 297.398 3.871 20 0 CHADMN CC(C)=CCNCc1cscc1Br ZINC000308170397 1119655402 /nfs/dbraw/zinc/65/54/02/1119655402.db2.gz CGBGPJSNZSJKEU-UHFFFAOYSA-N 0 1 260.200 3.566 20 0 CHADMN CC[C@@H]1CCCN(CC(=O)Nc2cccc(Cl)c2C)C1 ZINC000030141678 1119661695 /nfs/dbraw/zinc/66/16/95/1119661695.db2.gz RQRRLAIXZYSXOI-CYBMUJFWSA-N 0 1 294.826 3.709 20 0 CHADMN CC(C)CCN1Cc2cccc(NC(=O)[C@H]3CC34CC4)c2C1 ZINC000421463417 1119666071 /nfs/dbraw/zinc/66/60/71/1119666071.db2.gz BEKJBJFPMCFIKT-MRXNPFEDSA-N 0 1 298.430 3.787 20 0 CHADMN Fc1ccc(C2CC2)cc1CN[C@@H]1CCCn2nccc21 ZINC000658023426 1119668420 /nfs/dbraw/zinc/66/84/20/1119668420.db2.gz BQMUEQURKJFUSM-MRXNPFEDSA-N 0 1 285.366 3.524 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1cc(Cl)cc(Cl)c1 ZINC000658054853 1119676069 /nfs/dbraw/zinc/67/60/69/1119676069.db2.gz JOCIJAYERDNSNK-QMMMGPOBSA-N 0 1 284.190 3.876 20 0 CHADMN CC(C)(CC(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000511323343 1119677412 /nfs/dbraw/zinc/67/74/12/1119677412.db2.gz HTMALVNPFNRKDC-UHFFFAOYSA-N 0 1 293.370 3.869 20 0 CHADMN CCO[C@@H]1CCN(Cc2cc(C)cc(C(F)(F)F)c2)C1 ZINC001143459600 1119689122 /nfs/dbraw/zinc/68/91/22/1119689122.db2.gz YORCCJHZNKUKGE-CQSZACIVSA-N 0 1 287.325 3.625 20 0 CHADMN C[C@H]1C[C@H](CN[C@@H](c2ncc[nH]2)c2cccnc2)C[C@@H](C)C1 ZINC000658126712 1119689614 /nfs/dbraw/zinc/68/96/14/1119689614.db2.gz HVAQAAURVGKGGS-WBTNSWJXSA-N 0 1 298.434 3.556 20 0 CHADMN C[C@@H](NCC1=CCCC1)c1ncc(Br)cc1F ZINC000658290805 1119718935 /nfs/dbraw/zinc/71/89/35/1119718935.db2.gz FVVDYHLBVWZINC-SECBINFHSA-N 0 1 299.187 3.744 20 0 CHADMN COC[C@H](N[C@@H](C)c1cccs1)c1cccc(OC)c1 ZINC000658166498 1119695460 /nfs/dbraw/zinc/69/54/60/1119695460.db2.gz VKBUZSIQKODBMI-WFASDCNBSA-N 0 1 291.416 3.795 20 0 CHADMN CC[C@H](NCc1c(C2CC2)cnn1C)c1ccsc1 ZINC000658213518 1119707335 /nfs/dbraw/zinc/70/73/35/1119707335.db2.gz SNARRNSKNCZSJG-AWEZNQCLSA-N 0 1 275.421 3.600 20 0 CHADMN CC[C@H](N[C@H]1c2cc(C)ccc2C[C@@H]1C)c1ccn(C)n1 ZINC000658245803 1119711664 /nfs/dbraw/zinc/71/16/64/1119711664.db2.gz VQTBVRVXZFFTBU-QANKJYHBSA-N 0 1 283.419 3.703 20 0 CHADMN COc1cc(F)cc(CN2CC(Cc3cccs3)C2)c1 ZINC000628479536 1128864726 /nfs/dbraw/zinc/86/47/26/1128864726.db2.gz QTBLNKOQJIGPCE-UHFFFAOYSA-N 0 1 291.391 3.570 20 0 CHADMN CCc1ccc([C@@H](CC)N[C@@H](C)c2nccn2C)cc1 ZINC000658335150 1119725594 /nfs/dbraw/zinc/72/55/94/1119725594.db2.gz KMUQVUONEIBALN-XJKSGUPXSA-N 0 1 271.408 3.784 20 0 CHADMN C[C@@H](N[C@@H]1CC[C@@H](C)c2ccsc21)c1nccn1C ZINC000658339044 1119727062 /nfs/dbraw/zinc/72/70/62/1119727062.db2.gz NRRGXVNACVIHNP-NQBHXWOUSA-N 0 1 275.421 3.771 20 0 CHADMN CC(C)C[C@@H](N[C@@H](C)c1nccn1C)c1ccc(F)cc1 ZINC000658339413 1119727885 /nfs/dbraw/zinc/72/78/85/1119727885.db2.gz RMBKAWPJRZTRLI-XJKSGUPXSA-N 0 1 289.398 3.997 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2N[C@H]1C[C@@H](C)n2ccnc21 ZINC000658341454 1119727895 /nfs/dbraw/zinc/72/78/95/1119727895.db2.gz XXPHREPAVLNIQC-COXVUDFISA-N 0 1 281.403 3.865 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccc(Cl)cn2)c1C ZINC000658346836 1119729464 /nfs/dbraw/zinc/72/94/64/1119729464.db2.gz PZKYQMORVNLCRV-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1cccc(OC)c1C ZINC000658353151 1119729715 /nfs/dbraw/zinc/72/97/15/1119729715.db2.gz KSGKCWHKZKTQEN-CQSZACIVSA-N 0 1 284.403 3.812 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N1CCC[C@@H](CO)CC1 ZINC000339751763 1119735519 /nfs/dbraw/zinc/73/55/19/1119735519.db2.gz TWHMLNPJQDQCEK-NWDGAFQWSA-N 0 1 285.790 3.635 20 0 CHADMN CCSc1ccc([C@@H](C)N[C@H](C)c2ccnn2C)cc1 ZINC000192818715 1119743741 /nfs/dbraw/zinc/74/37/41/1119743741.db2.gz ORCCPSVZVDQMDO-CHWSQXEVSA-N 0 1 289.448 3.944 20 0 CHADMN COc1ccc([C@@H](C)NCc2cnc(F)cc2C)cc1F ZINC000892462185 1119745736 /nfs/dbraw/zinc/74/57/36/1119745736.db2.gz LTKFEECAIYJQPC-LLVKDONJSA-N 0 1 292.329 3.528 20 0 CHADMN Cc1ncc(CN(C)Cc2cccc3sccc32)cn1 ZINC001236682933 1128866146 /nfs/dbraw/zinc/86/61/46/1128866146.db2.gz OUCOAQMFGICMMU-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN Fc1cccc2c1SCC[C@@H]2N[C@@H]1CCC[C@@H]1F ZINC000340522469 1119752379 /nfs/dbraw/zinc/75/23/79/1119752379.db2.gz IGSCAPMNPVBPGX-WCFLWFBJSA-N 0 1 269.360 3.843 20 0 CHADMN Cc1cc(CN[C@H]2CCc3cc(Cl)ccc32)sn1 ZINC000404387225 1119752723 /nfs/dbraw/zinc/75/27/23/1119752723.db2.gz YESQVQCKDIFLCJ-AWEZNQCLSA-N 0 1 278.808 3.882 20 0 CHADMN Cc1cc(F)ncc1CNCc1ccc(C(F)(F)F)cc1 ZINC000892473286 1119753805 /nfs/dbraw/zinc/75/38/05/1119753805.db2.gz ICWZEPVZBUFESC-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1ccns1 ZINC000404449000 1119754115 /nfs/dbraw/zinc/75/41/15/1119754115.db2.gz PRRHEPYNVSXYLT-ZDUSSCGKSA-N 0 1 276.405 3.848 20 0 CHADMN CC(C)CCC1CCN(Cc2cncc(F)c2)CC1 ZINC000569756832 1119764835 /nfs/dbraw/zinc/76/48/35/1119764835.db2.gz DWMTTZQKIMMDAV-UHFFFAOYSA-N 0 1 264.388 3.869 20 0 CHADMN CCCCC[C@H](N[C@H](C)c1nc(COC)no1)C(C)(C)C ZINC000181335148 1128867708 /nfs/dbraw/zinc/86/77/08/1128867708.db2.gz BPGGDAAPGPLPAO-OLZOCXBDSA-N 0 1 297.443 3.862 20 0 CHADMN CC(C)(C)C[C@H](N[C@@H]1CCCc2[nH]ncc21)C(F)(F)F ZINC000375842552 1119768544 /nfs/dbraw/zinc/76/85/44/1119768544.db2.gz VZSVEFSZFSLXJL-PWSUYJOCSA-N 0 1 289.345 3.744 20 0 CHADMN Cc1cc(CN[C@H](C)CSc2ccc(C)cc2)on1 ZINC000631114789 1119774891 /nfs/dbraw/zinc/77/48/91/1119774891.db2.gz ZQMLQTNZLILJDV-CYBMUJFWSA-N 0 1 276.405 3.562 20 0 CHADMN COc1ccc(CN[C@@H](c2ccccc2)C2CC2)o1 ZINC000892485675 1119775231 /nfs/dbraw/zinc/77/52/31/1119775231.db2.gz LOZDVOVFCYHXRJ-INIZCTEOSA-N 0 1 257.333 3.529 20 0 CHADMN COc1c(C)cccc1CN[C@H](C)c1cnn(C2CCC2)c1 ZINC000926664043 1119782150 /nfs/dbraw/zinc/78/21/50/1119782150.db2.gz OZXAETOGRXUCJV-CQSZACIVSA-N 0 1 299.418 3.776 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccc1)c1cn2c(n1)CCCC2 ZINC000924542180 1119782198 /nfs/dbraw/zinc/78/21/98/1119782198.db2.gz JSUGJKXJMLTMLY-UONOGXRCSA-N 0 1 269.392 3.631 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@@](C)(O)CC1 ZINC000375928018 1119788862 /nfs/dbraw/zinc/78/88/62/1119788862.db2.gz PIYUELWPVVFNDE-IAQYHMDHSA-N 0 1 285.790 3.777 20 0 CHADMN CC(C)(C)CN[C@@H](c1nccs1)c1ccccc1 ZINC000236624020 1119790882 /nfs/dbraw/zinc/79/08/82/1119790882.db2.gz LAYYJWSLHOMEAP-CYBMUJFWSA-N 0 1 260.406 3.868 20 0 CHADMN C#CCN(Cc1cn2ccccc2c1C#N)C1CCCCC1 ZINC000065960390 1119796479 /nfs/dbraw/zinc/79/64/79/1119796479.db2.gz ZCWGHFUCWRJVEE-UHFFFAOYSA-N 0 1 291.398 3.579 20 0 CHADMN CCCCc1nc(CN2C[C@H]3CCC[C@@H]3C2)cs1 ZINC000153117098 1119798685 /nfs/dbraw/zinc/79/86/85/1119798685.db2.gz RWLVSCDUKHUNKL-CHWSQXEVSA-N 0 1 264.438 3.718 20 0 CHADMN O=C(NOC1CCCCC1)[C@@H]1CCSc2ccccc21 ZINC000779317193 1128870637 /nfs/dbraw/zinc/87/06/37/1128870637.db2.gz LWXAVVINMFNQNW-CQSZACIVSA-N 0 1 291.416 3.647 20 0 CHADMN CCO[C@H]1C[C@H](N[C@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000926693140 1119818310 /nfs/dbraw/zinc/81/83/10/1119818310.db2.gz JKQWMJLIGCHGOE-ZHALLVOQSA-N 0 1 296.414 3.637 20 0 CHADMN Clc1cccc(CN2CCCC3(CCCC3)C2)n1 ZINC000782636708 1119818556 /nfs/dbraw/zinc/81/85/56/1119818556.db2.gz IVWUIOOSSLNTMF-UHFFFAOYSA-N 0 1 264.800 3.891 20 0 CHADMN C[C@@H](NCCCSc1ccccc1)c1ncco1 ZINC000924556040 1119820890 /nfs/dbraw/zinc/82/08/90/1119820890.db2.gz BYWUAQNOSGLQQM-GFCCVEGCSA-N 0 1 262.378 3.508 20 0 CHADMN CO[C@](C)(CN[C@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000291268882 1119832194 /nfs/dbraw/zinc/83/21/94/1119832194.db2.gz QODCPZMBBOAGCD-RTBURBONSA-N 0 1 296.414 3.576 20 0 CHADMN Cc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C(C)C)n2)cc1 ZINC000923763846 1119840666 /nfs/dbraw/zinc/84/06/66/1119840666.db2.gz CWJJFSFYFWLWSN-AWEZNQCLSA-N 0 1 271.364 3.590 20 0 CHADMN Cc1ccc(-c2noc([C@@H]3CCCN3C(C)C)n2)cc1 ZINC000923763846 1119840670 /nfs/dbraw/zinc/84/06/70/1119840670.db2.gz CWJJFSFYFWLWSN-AWEZNQCLSA-N 0 1 271.364 3.590 20 0 CHADMN CC(C)(C)[C@@H]1C[C@H](Nc2ccc3c[nH]nc3c2)CCO1 ZINC000721613393 1119853063 /nfs/dbraw/zinc/85/30/63/1119853063.db2.gz LTDLAYAUJHTPLE-HIFRSBDPSA-N 0 1 273.380 3.569 20 0 CHADMN Cc1cn[nH]c1C[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000685838150 1119856253 /nfs/dbraw/zinc/85/62/53/1119856253.db2.gz RXNUITWWHXRERT-SJLPKXTDSA-N 0 1 283.419 3.795 20 0 CHADMN Cc1c[nH]nc1C[N@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000685837623 1119856380 /nfs/dbraw/zinc/85/63/80/1119856380.db2.gz BEJRGUDXBNTVCC-QGZVFWFLSA-N 0 1 269.392 3.754 20 0 CHADMN Cc1c[nH]nc1CN1CCCC[C@@H]1c1ccc(C)cc1 ZINC000685837623 1119856384 /nfs/dbraw/zinc/85/63/84/1119856384.db2.gz BEJRGUDXBNTVCC-QGZVFWFLSA-N 0 1 269.392 3.754 20 0 CHADMN Cc1cn[nH]c1C[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000685838148 1119856509 /nfs/dbraw/zinc/85/65/09/1119856509.db2.gz RXNUITWWHXRERT-AEFFLSMTSA-N 0 1 283.419 3.795 20 0 CHADMN Cc1cn[nH]c1C[N@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC000685838307 1119856821 /nfs/dbraw/zinc/85/68/21/1119856821.db2.gz BOMIOVIJRAZYQQ-SFHVURJKSA-N 0 1 297.446 3.953 20 0 CHADMN C[C@@H](N[C@@H]1CCOc2ccccc21)c1cnn(C2CCC2)c1 ZINC000924564572 1119857827 /nfs/dbraw/zinc/85/78/27/1119857827.db2.gz ROVVXXYAMAYJFF-CXAGYDPISA-N 0 1 297.402 3.783 20 0 CHADMN CCC[C@H](N[C@H](C)c1cc(OC)no1)c1ccccc1 ZINC000924566820 1119873785 /nfs/dbraw/zinc/87/37/85/1119873785.db2.gz FBCVFSHKUSCBRI-OCCSQVGLSA-N 0 1 274.364 3.875 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2cc3n(n2)CCC3)cc1 ZINC000414062866 1119874980 /nfs/dbraw/zinc/87/49/80/1119874980.db2.gz DGSMEQVQENPHLY-UONOGXRCSA-N 0 1 269.392 3.550 20 0 CHADMN C[C@@H](NC[C@@H]1CCCO1)c1csc(-c2ccccc2)n1 ZINC000414061765 1119875341 /nfs/dbraw/zinc/87/53/41/1119875341.db2.gz ZKABNDADHNUTNV-OCCSQVGLSA-N 0 1 288.416 3.640 20 0 CHADMN C[C@@H](NC[C@H]1CCCO1)c1csc(-c2ccccc2)n1 ZINC000414061767 1119875743 /nfs/dbraw/zinc/87/57/43/1119875743.db2.gz ZKABNDADHNUTNV-TZMCWYRMSA-N 0 1 288.416 3.640 20 0 CHADMN COc1ccc([C@H](C)NCc2cn3ccccc3n2)c(C)c1 ZINC000414066637 1119878034 /nfs/dbraw/zinc/87/80/34/1119878034.db2.gz PTIJTPWZZVJKST-AWEZNQCLSA-N 0 1 295.386 3.502 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1cc2n(n1)CCC2)c1ccccc1 ZINC000414066147 1119879560 /nfs/dbraw/zinc/87/95/60/1119879560.db2.gz PIBHTXJCQKGJCW-KBXCAEBGSA-N 0 1 283.419 3.877 20 0 CHADMN COC(C)(C)CN[C@H](C)c1csc(-c2ccccc2)n1 ZINC000414093543 1119894831 /nfs/dbraw/zinc/89/48/31/1119894831.db2.gz FTJMYTFTMCSZJY-GFCCVEGCSA-N 0 1 290.432 3.886 20 0 CHADMN Cc1ccccc1CONC(=O)C(C)(C)c1ccccc1 ZINC000066468743 1119895689 /nfs/dbraw/zinc/89/56/89/1119895689.db2.gz ZFWMVOOPDUUGPV-UHFFFAOYSA-N 0 1 283.371 3.521 20 0 CHADMN Fc1ccc2nc(-c3cc4c(c(Cl)c3)OCO4)[nH]c2c1 ZINC000613294247 1119899185 /nfs/dbraw/zinc/89/91/85/1119899185.db2.gz NEMKDWADSMKVAE-UHFFFAOYSA-N 0 1 290.681 3.751 20 0 CHADMN Fc1ccc2nc(-c3ccnn3C3CCCC3)[nH]c2c1 ZINC000414120343 1119907224 /nfs/dbraw/zinc/90/72/24/1119907224.db2.gz BYRCHBJISHPBDW-UHFFFAOYSA-N 0 1 270.311 3.681 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2CCC[C@@H]1C)c1ccn(C)n1 ZINC000414132995 1119910457 /nfs/dbraw/zinc/91/04/57/1119910457.db2.gz NATWTAYPGKQVNR-DEYYWGMASA-N 0 1 283.419 3.784 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000318628721 1119917822 /nfs/dbraw/zinc/91/78/22/1119917822.db2.gz BQRTYHSZVJXKOD-IBGZPJMESA-N 0 1 297.398 3.773 20 0 CHADMN Cc1ccc(CN[C@@H](c2cccnc2)C2CCC2)nc1C ZINC000414160700 1119922488 /nfs/dbraw/zinc/92/24/88/1119922488.db2.gz DJGAWMXFDKRQHY-GOSISDBHSA-N 0 1 281.403 3.724 20 0 CHADMN CC[C@H](NCc1ccc(C)c(C)n1)c1cccc(OC)c1 ZINC000414166796 1119923899 /nfs/dbraw/zinc/92/38/99/1119923899.db2.gz OFBIWSSPZFRIRW-SFHVURJKSA-N 0 1 284.403 3.948 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](c2nccn2C)C2CC2)c(C)c1 ZINC000414173258 1119926217 /nfs/dbraw/zinc/92/62/17/1119926217.db2.gz ZJUJHTOOOTYDKI-SUMWQHHRSA-N 0 1 299.418 3.539 20 0 CHADMN CCC[C@H](NCc1cnc(C)o1)c1ccc(OC)cc1 ZINC000414181319 1119928373 /nfs/dbraw/zinc/92/83/73/1119928373.db2.gz MJXRUBJWFACTBH-INIZCTEOSA-N 0 1 274.364 3.623 20 0 CHADMN CN(CCCCc1ccccc1)CC(=O)Nc1ccccc1 ZINC000613456434 1119929471 /nfs/dbraw/zinc/92/94/71/1119929471.db2.gz BMGTWFPCQZBOTA-UHFFFAOYSA-N 0 1 296.414 3.580 20 0 CHADMN CCC[C@@H](NCc1cnc(C)o1)c1ccsc1 ZINC000414190132 1119933132 /nfs/dbraw/zinc/93/31/32/1119933132.db2.gz SOCATFMTNMIEFL-CYBMUJFWSA-N 0 1 250.367 3.676 20 0 CHADMN CCn1ccc(CN[C@@H]2CC[C@H](C)c3ccsc32)n1 ZINC000414209904 1119940210 /nfs/dbraw/zinc/94/02/10/1119940210.db2.gz LRSLTMLOAPSJHS-SMDDNHRTSA-N 0 1 275.421 3.693 20 0 CHADMN CCn1ccc(CN[C@H]2CC[C@@H](C)c3ccccc32)n1 ZINC000414207892 1119940474 /nfs/dbraw/zinc/94/04/74/1119940474.db2.gz KSYSBOSOTMGCCZ-DYVFJYSZSA-N 0 1 269.392 3.631 20 0 CHADMN CC[C@H](NCc1cnc(F)c(C)c1)c1ccccc1OC ZINC000892560244 1119941726 /nfs/dbraw/zinc/94/17/26/1119941726.db2.gz FFTNBEAMERHKLN-HNNXBMFYSA-N 0 1 288.366 3.779 20 0 CHADMN CCc1ccc(-c2noc(CN(C)[C@@H](C)CC)n2)cc1 ZINC000170790649 1119954320 /nfs/dbraw/zinc/95/43/20/1119954320.db2.gz MBGCHWGUKOOHLH-LBPRGKRZSA-N 0 1 273.380 3.529 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccc(F)c(F)c1 ZINC000414281055 1119964503 /nfs/dbraw/zinc/96/45/03/1119964503.db2.gz FEJNOFBLLLMRRL-MRCXROJRSA-N 0 1 257.299 3.896 20 0 CHADMN CCc1ncc(CN[C@@H](CC)c2cccc(Cl)c2)cn1 ZINC000414289167 1119968232 /nfs/dbraw/zinc/96/82/32/1119968232.db2.gz REZADZLSEBHKIE-HNNXBMFYSA-N 0 1 289.810 3.933 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@@H]1CCCC[C@H]1F ZINC000414301198 1119972380 /nfs/dbraw/zinc/97/23/80/1119972380.db2.gz BLNYQQNMPUVNEX-GMTAPVOTSA-N 0 1 257.374 3.688 20 0 CHADMN CC[C@@H]1CCCN(Cc2c(F)cc(OC)cc2F)C1 ZINC001140828720 1119976827 /nfs/dbraw/zinc/97/68/27/1119976827.db2.gz WVOJPIVEOGMCKO-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN C1CS[C@H](c2noc([C@@H]3CC[C@H]4CCCC[C@H]4N3)n2)C1 ZINC000250863046 1128881582 /nfs/dbraw/zinc/88/15/82/1128881582.db2.gz QSDIASFHKBHXJM-NDBYEHHHSA-N 0 1 293.436 3.621 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1cc(F)ccc1F ZINC000414341470 1119990555 /nfs/dbraw/zinc/99/05/55/1119990555.db2.gz OGKYJJGJGLOMPG-GAJTVXKRSA-N 0 1 263.287 3.765 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(N(C)C(C)C)nc2)cc1 ZINC000361488409 1120002318 /nfs/dbraw/zinc/00/23/18/1120002318.db2.gz ZKRNWWPWOXMYCS-UHFFFAOYSA-N 0 1 297.446 3.867 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2ccc(Cl)cc21)c1ccnnc1 ZINC000926777187 1120003891 /nfs/dbraw/zinc/00/38/91/1120003891.db2.gz ZKQICCAYKFIOKP-BDJLRTHQSA-N 0 1 287.794 3.858 20 0 CHADMN CCCc1noc(CN[C@@H]2CCC[C@@H]2CCC(C)C)n1 ZINC000472607836 1120013015 /nfs/dbraw/zinc/01/30/15/1120013015.db2.gz HGEVOMXWTSDOIW-ZIAGYGMSSA-N 0 1 279.428 3.717 20 0 CHADMN CC(C)CCN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000376506582 1120020691 /nfs/dbraw/zinc/02/06/91/1120020691.db2.gz LXCQRMIVLHZZLS-AWEZNQCLSA-N 0 1 277.412 3.910 20 0 CHADMN COc1ccc(-c2cc3nc[nH]c3cc2F)cc1F ZINC001239580348 1120037892 /nfs/dbraw/zinc/03/78/92/1120037892.db2.gz HAXUQXVLBYIFGU-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN FC1(F)CCCN(Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000628422310 1120039591 /nfs/dbraw/zinc/03/95/91/1120039591.db2.gz WXYDVQRLRYDKDI-UHFFFAOYSA-N 0 1 291.345 3.698 20 0 CHADMN CC(C)Cc1noc(CN2C[C@@H](c3ccccc3)C[C@@H]2C)n1 ZINC000115552414 1120042660 /nfs/dbraw/zinc/04/26/60/1120042660.db2.gz TZAPSAVJHAHJTI-HOCLYGCPSA-N 0 1 299.418 3.646 20 0 CHADMN COc1ccc(-n2c(N)nc3ccc(C)cc32)cc1Cl ZINC000094660745 1120053684 /nfs/dbraw/zinc/05/36/84/1120053684.db2.gz IUHOKLJSHUPIOQ-UHFFFAOYSA-N 0 1 287.750 3.578 20 0 CHADMN COCC1(CN2CCc3c(F)cc(F)cc3[C@H]2C)CCC1 ZINC000361315281 1120055154 /nfs/dbraw/zinc/05/51/54/1120055154.db2.gz TXHOCNWHXJOPMN-GFCCVEGCSA-N 0 1 295.373 3.701 20 0 CHADMN Fc1ccc(CNCc2ccnn2C2CCC2)cc1Cl ZINC000921654793 1120055768 /nfs/dbraw/zinc/05/57/68/1120055768.db2.gz YEXUYEYVBCBMGW-UHFFFAOYSA-N 0 1 293.773 3.690 20 0 CHADMN CCC[C@H](NCc1cc(F)cc(F)c1)c1ccccn1 ZINC001649117629 1120062390 /nfs/dbraw/zinc/06/23/90/1120062390.db2.gz LEESAYCDPXEFGZ-HNNXBMFYSA-N 0 1 276.330 3.991 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccc(C(C)(C)C)s1 ZINC000166277858 1120065383 /nfs/dbraw/zinc/06/53/83/1120065383.db2.gz SVXVARUMBQUWCY-UHFFFAOYSA-N 0 1 283.437 3.731 20 0 CHADMN COc1ccc(CNCc2ccco2)c2ccccc12 ZINC000109459022 1120073674 /nfs/dbraw/zinc/07/36/74/1120073674.db2.gz ZFGAAUZQCFZDKV-UHFFFAOYSA-N 0 1 267.328 3.731 20 0 CHADMN c1coc([C@@H]2N(C[C@@H]3CCCCO3)CC23CCCC3)c1 ZINC000661446804 1120080523 /nfs/dbraw/zinc/08/05/23/1120080523.db2.gz RCTQESCQCCEHPO-HOCLYGCPSA-N 0 1 275.392 3.766 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H](C)Cc2ccccn2)cs1 ZINC000655835013 1120097098 /nfs/dbraw/zinc/09/70/98/1120097098.db2.gz JIIYFPQGOCAXEM-OLZOCXBDSA-N 0 1 289.448 3.943 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@H]1CCCC(F)(F)C1 ZINC000282296217 1120108278 /nfs/dbraw/zinc/10/82/78/1120108278.db2.gz FYOLEAHOMMUTGI-QMMMGPOBSA-N 0 1 289.709 3.810 20 0 CHADMN COc1ccc(F)cc1CN[C@@H](C)c1cccs1 ZINC000181756374 1120108277 /nfs/dbraw/zinc/10/82/77/1120108277.db2.gz WOQVSUHRIFUKPQ-JTQLQIEISA-N 0 1 265.353 3.747 20 0 CHADMN Clc1csc(CNc2cnn(-c3ccncc3)c2)c1 ZINC000785447608 1120108757 /nfs/dbraw/zinc/10/87/57/1120108757.db2.gz OQNRIFZIRUKXJZ-UHFFFAOYSA-N 0 1 290.779 3.594 20 0 CHADMN COc1nc(C)cc(C)c1CNCc1cc(Cl)cs1 ZINC000785447631 1120108913 /nfs/dbraw/zinc/10/89/13/1120108913.db2.gz PYFHJHVRLNVJCN-UHFFFAOYSA-N 0 1 296.823 3.712 20 0 CHADMN CC1CCC(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000659790452 1120110903 /nfs/dbraw/zinc/11/09/03/1120110903.db2.gz UNBJEYACLNELPB-UHFFFAOYSA-N 0 1 289.419 3.790 20 0 CHADMN CCc1onc(C)c1CNCc1cc2c(s1)CCCC2 ZINC000892710630 1120111065 /nfs/dbraw/zinc/11/10/65/1120111065.db2.gz CUMJZOSOPRDYCJ-UHFFFAOYSA-N 0 1 290.432 3.776 20 0 CHADMN CC(C)CCC[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000659794414 1120111345 /nfs/dbraw/zinc/11/13/45/1120111345.db2.gz BVHWUBQQQYVJPD-JKSUJKDBSA-N 0 1 275.392 3.713 20 0 CHADMN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CCC1CCCC1 ZINC000659793721 1120111357 /nfs/dbraw/zinc/11/13/57/1120111357.db2.gz OOZAQGLRUGNGJA-IAGOWNOFSA-N 0 1 293.451 3.922 20 0 CHADMN CCC[C@H](C)[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccc(Cl)cc2)C1 ZINC000659797641 1120111997 /nfs/dbraw/zinc/11/19/97/1120111997.db2.gz NJWCYBSNGOQDPI-GLQYFDAESA-N 0 1 295.810 3.629 20 0 CHADMN C[N@H+](Cc1ccccc1C(=O)[O-])C[C@H]1CCc2ccccc21 ZINC000659803188 1120113162 /nfs/dbraw/zinc/11/31/62/1120113162.db2.gz FSQRSFLEFZNHNA-MRXNPFEDSA-N 0 1 295.382 3.547 20 0 CHADMN Cc1cc(C[N@H+]2CCCC[C@@H]2CC2CCC2)oc1C(=O)[O-] ZINC000659803279 1120113166 /nfs/dbraw/zinc/11/31/66/1120113166.db2.gz FIQXKVNTONPGOV-CQSZACIVSA-N 0 1 291.391 3.831 20 0 CHADMN C[C@H](Cc1ccccc1)[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000659803946 1120114424 /nfs/dbraw/zinc/11/44/24/1120114424.db2.gz PNOZPVSFIVHQHT-MRXNPFEDSA-N 0 1 297.398 3.595 20 0 CHADMN CCCCC[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000659804169 1120114792 /nfs/dbraw/zinc/11/47/92/1120114792.db2.gz USNURVLRQROVTO-ZDUSSCGKSA-N 0 1 279.380 3.913 20 0 CHADMN CCc1nc([C@@H](C)N(CC)Cc2ccc(Cl)s2)n[nH]1 ZINC000659817680 1120115959 /nfs/dbraw/zinc/11/59/59/1120115959.db2.gz NIQGNDYJHMZVQH-SECBINFHSA-N 0 1 298.843 3.665 20 0 CHADMN Cc1cc(CN2CC=C(c3ccc(F)cc3)CC2)nc(C)n1 ZINC000659819394 1120117065 /nfs/dbraw/zinc/11/70/65/1120117065.db2.gz SUNBHYXOKISTOM-UHFFFAOYSA-N 0 1 297.377 3.522 20 0 CHADMN Fc1ccc(Br)cc1CN[C@@H]1CCC[C@@H]1F ZINC000378703095 1120123703 /nfs/dbraw/zinc/12/37/03/1120123703.db2.gz OKFIHCOTIURJSW-NWDGAFQWSA-N 0 1 290.151 3.568 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000378736738 1120125738 /nfs/dbraw/zinc/12/57/38/1120125738.db2.gz NHZIVNMSVDBCLP-OLZOCXBDSA-N 0 1 293.432 3.765 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cccc(F)c1F)CC2 ZINC000107713200 1120126012 /nfs/dbraw/zinc/12/60/12/1120126012.db2.gz UGPGBPHRHCYYRG-OAHLLOKOSA-N 0 1 277.289 3.881 20 0 CHADMN Brc1cccc2c1CC[C@@H]2NCc1ccoc1 ZINC000171769849 1120131826 /nfs/dbraw/zinc/13/18/26/1120131826.db2.gz QRISAWGUODYFCV-AWEZNQCLSA-N 0 1 292.176 3.819 20 0 CHADMN CC(C)C[C@@H]1CCCCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903696602 1120132839 /nfs/dbraw/zinc/13/28/39/1120132839.db2.gz YGCBJHGPNHZFMB-HNNXBMFYSA-N 0 1 281.440 3.922 20 0 CHADMN Fc1ccc(C2(NCc3cnn(C4CCC4)c3)CC2)cc1 ZINC000921696584 1120134940 /nfs/dbraw/zinc/13/49/40/1120134940.db2.gz UFXNILUBNQCRLU-UHFFFAOYSA-N 0 1 285.366 3.526 20 0 CHADMN Cc1nonc1[C@H](C)NC1CCC(c2ccccc2)CC1 ZINC000924603590 1120138901 /nfs/dbraw/zinc/13/89/01/1120138901.db2.gz ULZKJGCMICTALA-JQRITLKVSA-N 0 1 285.391 3.755 20 0 CHADMN CCOc1ccc(CNC2(c3ccc(F)cc3)CCC2)o1 ZINC000892786465 1120142235 /nfs/dbraw/zinc/14/22/35/1120142235.db2.gz QXVJRJYDKPXGBT-UHFFFAOYSA-N 0 1 289.350 3.986 20 0 CHADMN C[C@H](NCc1cncn1C)c1ccc(-c2ccccc2)o1 ZINC000353580219 1120142293 /nfs/dbraw/zinc/14/22/93/1120142293.db2.gz WOHMPBHPADJKCK-ZDUSSCGKSA-N 0 1 281.359 3.531 20 0 CHADMN C[C@H](CC(=O)OC(C)(C)C)N[C@H](C)c1c(F)cccc1F ZINC000542778669 1120145974 /nfs/dbraw/zinc/14/59/74/1120145974.db2.gz RCSMCDAMOCDVHA-GHMZBOCLSA-N 0 1 299.361 3.736 20 0 CHADMN Cc1ccc(CNCc2ccc(C)c(C)n2)cc1C ZINC000313824075 1120152004 /nfs/dbraw/zinc/15/20/04/1120152004.db2.gz LOZVDCPGYHIRAD-UHFFFAOYSA-N 0 1 254.377 3.605 20 0 CHADMN COc1ccc(CNCc2ccc(C)c(C)n2)cc1Cl ZINC000313862514 1120155110 /nfs/dbraw/zinc/15/51/10/1120155110.db2.gz WNTGBPPJAIEWSD-UHFFFAOYSA-N 0 1 290.794 3.650 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3c3nccs3)[nH]c2c1 ZINC000892893095 1120156096 /nfs/dbraw/zinc/15/60/96/1120156096.db2.gz MFOPOIBXVGYPGQ-ZDUSSCGKSA-N 0 1 284.388 3.669 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(C)c(C)n2)c1 ZINC000313906482 1120157357 /nfs/dbraw/zinc/15/73/57/1120157357.db2.gz HTQBFSBEFBABRF-CQSZACIVSA-N 0 1 297.402 3.508 20 0 CHADMN CC(C)C1CCC(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1 ZINC000313980232 1120162510 /nfs/dbraw/zinc/16/25/10/1120162510.db2.gz MJDLNLVJKCSJKY-LMNGEROHSA-N 0 1 293.451 3.634 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cc(C)nc(C)n2)cc1 ZINC000659843411 1120164623 /nfs/dbraw/zinc/16/46/23/1120164623.db2.gz ULFWWCDZDMPMGG-AWEZNQCLSA-N 0 1 269.392 3.595 20 0 CHADMN CCc1nc([C@H](C)N(CC)Cc2cccc(Cl)c2)n[nH]1 ZINC000659843555 1120164721 /nfs/dbraw/zinc/16/47/21/1120164721.db2.gz WHNGNIASXLOOTH-NSHDSACASA-N 0 1 292.814 3.604 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(C(F)F)c(F)c1 ZINC000892935352 1120165122 /nfs/dbraw/zinc/16/51/22/1120165122.db2.gz KKPJQKDHPVANGT-SECBINFHSA-N 0 1 297.324 3.656 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cccc(F)c2)nc1C ZINC000314134882 1120171815 /nfs/dbraw/zinc/17/18/15/1120171815.db2.gz IVLXZELYHFRIGH-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1ncsc1CN(C)CCOc1cc(C)cc(C)c1 ZINC000108871735 1120172881 /nfs/dbraw/zinc/17/28/81/1120172881.db2.gz HEAZSDVJWVZFFV-UHFFFAOYSA-N 0 1 290.432 3.579 20 0 CHADMN Cc1ccc([C@H](C)NCc2cn3ccccc3n2)c(C)c1 ZINC000112345908 1120176098 /nfs/dbraw/zinc/17/60/98/1120176098.db2.gz YALIGDAAAPSWHJ-HNNXBMFYSA-N 0 1 279.387 3.802 20 0 CHADMN CSc1ccc(CNCc2ccc(C)c(C)n2)cc1 ZINC000314297012 1120183604 /nfs/dbraw/zinc/18/36/04/1120183604.db2.gz PGWUSOBVISYBNF-UHFFFAOYSA-N 0 1 272.417 3.710 20 0 CHADMN COc1cc(CN2CCC[C@@H]2c2ccccc2C)sn1 ZINC000659848171 1120186048 /nfs/dbraw/zinc/18/60/48/1120186048.db2.gz YNERMNORTARIPG-OAHLLOKOSA-N 0 1 288.416 3.797 20 0 CHADMN CC(C)CCN1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000303874122 1120186693 /nfs/dbraw/zinc/18/66/93/1120186693.db2.gz IFZQXYFJJAGMLX-CZUORRHYSA-N 0 1 265.372 3.634 20 0 CHADMN CC(C)CCN1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000303874124 1120186938 /nfs/dbraw/zinc/18/69/38/1120186938.db2.gz IFZQXYFJJAGMLX-XJKSGUPXSA-N 0 1 265.372 3.634 20 0 CHADMN CC[C@H](NCc1cn(CC)nc1C)c1ccc(F)cc1F ZINC000893002961 1120193799 /nfs/dbraw/zinc/19/37/99/1120193799.db2.gz XYTBLLUAYAPCHE-INIZCTEOSA-N 0 1 293.361 3.731 20 0 CHADMN CCN(Cc1ccc2ccccc2c1)C[C@H](O)C(F)(F)F ZINC000460591217 1120195098 /nfs/dbraw/zinc/19/50/98/1120195098.db2.gz MQKFBCNWZJSDOH-HNNXBMFYSA-N 0 1 297.320 3.585 20 0 CHADMN CC(C)(C)OCCNCc1ccc(Cl)cc1Cl ZINC000308747715 1120197677 /nfs/dbraw/zinc/19/76/77/1120197677.db2.gz SHNPBPXINBTQPS-UHFFFAOYSA-N 0 1 276.207 3.898 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cn2ccc(-c3ccc(F)cc3)n2)CC1 ZINC000728707989 1120202897 /nfs/dbraw/zinc/20/28/97/1120202897.db2.gz WKVVLHXPCUYLQP-CQSZACIVSA-N 0 1 287.382 3.769 20 0 CHADMN c1c(C[N@H+]2CC[C@@H](c3ccccc3)C2)onc1C1CC1 ZINC000659860803 1120204894 /nfs/dbraw/zinc/20/48/94/1120204894.db2.gz FTAHBCFDJHFFJM-OAHLLOKOSA-N 0 1 268.360 3.542 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cc(C)cc(C)c1 ZINC000073006843 1120206119 /nfs/dbraw/zinc/20/61/19/1120206119.db2.gz FBPSHNRZHJOSNS-GFCCVEGCSA-N 0 1 258.365 3.759 20 0 CHADMN CCOc1cccc(CN[C@@H](C)c2c(C)noc2C)c1 ZINC000073007143 1120206237 /nfs/dbraw/zinc/20/62/37/1120206237.db2.gz GIIXIRBNQQWHEV-NSHDSACASA-N 0 1 274.364 3.541 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)NCc1cscn1 ZINC000040504268 1120206509 /nfs/dbraw/zinc/20/65/09/1120206509.db2.gz UXEFHNAKYSFMTF-JTQLQIEISA-N 0 1 266.797 3.517 20 0 CHADMN O=C(c1c(O)cccc1F)N1CC[C@H](C2CCCCC2)C1 ZINC000618186570 1128899024 /nfs/dbraw/zinc/89/90/24/1128899024.db2.gz OLLLCWHDCBDOQW-ZDUSSCGKSA-N 0 1 291.366 3.574 20 0 CHADMN CC(C)=C1CC[C@@H](C)C[C@@H]1N[C@@H]1CCCn2nc(C)nc21 ZINC000925502680 1120218166 /nfs/dbraw/zinc/21/81/66/1120218166.db2.gz LOHZRZLVKSVOPR-WQVCFCJDSA-N 0 1 288.439 3.536 20 0 CHADMN CC(C)[N@@H+](Cc1csc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000628289046 1120218735 /nfs/dbraw/zinc/21/87/35/1120218735.db2.gz ZRDNFKDKYIPTLP-NSHDSACASA-N 0 1 293.354 3.766 20 0 CHADMN CC(C)N(Cc1csc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000628289046 1120218737 /nfs/dbraw/zinc/21/87/37/1120218737.db2.gz ZRDNFKDKYIPTLP-NSHDSACASA-N 0 1 293.354 3.766 20 0 CHADMN Cc1cc(CN2CCOc3ccccc3C2)c(C)s1 ZINC000620119820 1120221740 /nfs/dbraw/zinc/22/17/40/1120221740.db2.gz SVSFXULLMMCBOC-UHFFFAOYSA-N 0 1 273.401 3.760 20 0 CHADMN Cc1cccc2nc(CN[C@H](C)c3cccs3)cn21 ZINC000178057252 1120225246 /nfs/dbraw/zinc/22/52/46/1120225246.db2.gz RMXUZFAIVXUQQM-GFCCVEGCSA-N 0 1 271.389 3.555 20 0 CHADMN COCc1ccc(CN2CCC[C@@H]2c2cccs2)o1 ZINC000271040563 1120227686 /nfs/dbraw/zinc/22/76/86/1120227686.db2.gz NWKXKWNAGWZUGM-CQSZACIVSA-N 0 1 277.389 3.825 20 0 CHADMN CCOc1ccccc1CN(C)Cc1ccccc1 ZINC000061745611 1120229473 /nfs/dbraw/zinc/22/94/73/1120229473.db2.gz ZREKOJSSUVATBW-UHFFFAOYSA-N 0 1 255.361 3.717 20 0 CHADMN CCOc1ccccc1CN(C)Cc1cccc(OC)c1 ZINC000061759806 1120229611 /nfs/dbraw/zinc/22/96/11/1120229611.db2.gz JTAMTUOWZIINAR-UHFFFAOYSA-N 0 1 285.387 3.726 20 0 CHADMN CCCc1cc(C(=O)N2CCC[C@H]2C2CCCCC2)n[nH]1 ZINC000618188447 1128900620 /nfs/dbraw/zinc/90/06/20/1128900620.db2.gz RLZRUBOGYGXHLC-INIZCTEOSA-N 0 1 289.423 3.547 20 0 CHADMN COc1ccc(F)c(-c2cccc3nc(C)[nH]c32)c1 ZINC001240117874 1120235466 /nfs/dbraw/zinc/23/54/66/1120235466.db2.gz KBHCZGCACIDSJR-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN Fc1cc(CN2CCC(c3ncc[nH]3)CC2)ccc1Cl ZINC000271213287 1120242203 /nfs/dbraw/zinc/24/22/03/1120242203.db2.gz WKQDRHTUQGIIJZ-UHFFFAOYSA-N 0 1 293.773 3.582 20 0 CHADMN CC[C@H](Cc1nc([C@H](N)C(C)C)no1)c1ccc(C)cc1 ZINC000843148922 1120246012 /nfs/dbraw/zinc/24/60/12/1120246012.db2.gz FUZDKICBGKIKPW-CZUORRHYSA-N 0 1 287.407 3.770 20 0 CHADMN CCCc1cc(-c2nc([C@@H](N)C(C)C)no2)sc1C ZINC000843148833 1120248699 /nfs/dbraw/zinc/24/86/99/1120248699.db2.gz XUPLGZHZSATQCC-LBPRGKRZSA-N 0 1 279.409 3.715 20 0 CHADMN CCN(CC)[C@@H](C(=O)N(C)c1ccccc1)c1ccccc1 ZINC000111033729 1120248717 /nfs/dbraw/zinc/24/87/17/1120248717.db2.gz UMLCKTYCNQHIMV-GOSISDBHSA-N 0 1 296.414 3.733 20 0 CHADMN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc3nc[nH]c3c2)C1(C)C ZINC000620903477 1120248881 /nfs/dbraw/zinc/24/88/81/1120248881.db2.gz BDUDGDQKRACZIT-DOMZBBRYSA-N 0 1 283.375 3.740 20 0 CHADMN COc1ccc(CN[C@H]2COc3ccc(C)cc32)c(C)c1 ZINC000921851667 1120250180 /nfs/dbraw/zinc/25/01/80/1120250180.db2.gz PVMHNRNJEKHYLX-KRWDZBQOSA-N 0 1 283.371 3.535 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@H](c2ccccc2)C(C)C)n1 ZINC000843148167 1120250995 /nfs/dbraw/zinc/25/09/95/1120250995.db2.gz NRANKJCLGJYSHO-UONOGXRCSA-N 0 1 273.380 3.513 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccncc2)c(C)s1 ZINC000179678976 1120252655 /nfs/dbraw/zinc/25/26/55/1120252655.db2.gz NWYRRLHLCKBUQH-GFCCVEGCSA-N 0 1 260.406 3.953 20 0 CHADMN Cc1noc(C)c1C[N@H+](C)CC(C)(C)c1ccccc1 ZINC000179754788 1120253561 /nfs/dbraw/zinc/25/35/61/1120253561.db2.gz XFANWLZYOUSXFJ-UHFFFAOYSA-N 0 1 272.392 3.701 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@H](C)CSc2ccccc2)n1 ZINC000843150914 1120255674 /nfs/dbraw/zinc/25/56/74/1120255674.db2.gz WMQZRPXPPGMPQL-DGCLKSJQSA-N 0 1 291.420 3.621 20 0 CHADMN CCCC(C)(C)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000651308147 1120265007 /nfs/dbraw/zinc/26/50/07/1120265007.db2.gz DEZXDGBCNIRKNA-UHFFFAOYSA-N 0 1 293.798 3.659 20 0 CHADMN CCc1nc([C@@H](C)N2CCC(c3ccccc3C)CC2)n[nH]1 ZINC000659907037 1120278491 /nfs/dbraw/zinc/27/84/91/1120278491.db2.gz VOUWHBILJNNMCR-CQSZACIVSA-N 0 1 298.434 3.616 20 0 CHADMN CCCc1ccc(CN[C@@H](C)c2ccccn2)s1 ZINC000621325627 1120280373 /nfs/dbraw/zinc/28/03/73/1120280373.db2.gz DNGNHQDMLLBHIL-LBPRGKRZSA-N 0 1 260.406 3.946 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC(C)CC1 ZINC000008318296 1120280804 /nfs/dbraw/zinc/28/08/04/1120280804.db2.gz LRYBNNJHEKYMHG-HNNXBMFYSA-N 0 1 288.435 3.869 20 0 CHADMN Cn1nc(CNCc2ccc(Cl)cc2)c2ccccc21 ZINC000112337968 1120282412 /nfs/dbraw/zinc/28/24/12/1120282412.db2.gz MAFUELYYARXLOS-UHFFFAOYSA-N 0 1 285.778 3.517 20 0 CHADMN Cn1ccnc1[C@H](N[C@H]1CCC12CCC2)c1ccc(F)cc1 ZINC000282318431 1120284433 /nfs/dbraw/zinc/28/44/33/1120284433.db2.gz UEVSFOWYROBANA-JKSUJKDBSA-N 0 1 299.393 3.571 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](c2ccc(F)cc2)C(C)C)n[nH]1 ZINC000660484566 1120292289 /nfs/dbraw/zinc/29/22/89/1120292289.db2.gz ZEOHNOQAWDBASV-ABAIWWIYSA-N 0 1 290.386 3.554 20 0 CHADMN CC[C@@H](NCc1ccc(OC)cc1C)c1c(C)noc1C ZINC000921936668 1120292932 /nfs/dbraw/zinc/29/29/32/1120292932.db2.gz RIOHZZUFPXRQGO-MRXNPFEDSA-N 0 1 288.391 3.849 20 0 CHADMN Cc1nc2ccc(NC(=O)c3c(C)oc(C)c3C)cc2[nH]1 ZINC000041817435 1120294185 /nfs/dbraw/zinc/29/41/85/1120294185.db2.gz NCZDQGWBXJJPTJ-UHFFFAOYSA-N 0 1 283.331 3.642 20 0 CHADMN Cc1cccn2cc(CNCc3cc(C)c(C)cc3C)nc12 ZINC000076895196 1120300082 /nfs/dbraw/zinc/30/00/82/1120300082.db2.gz QYWBPTCTYIACGX-UHFFFAOYSA-N 0 1 293.414 3.858 20 0 CHADMN Cc1nc(C)c(C[N@H+](C)[C@H](C)c2cccc(O)c2)s1 ZINC000172799736 1120301100 /nfs/dbraw/zinc/30/11/00/1120301100.db2.gz PWCCHXDIDVZRJX-LLVKDONJSA-N 0 1 276.405 3.659 20 0 CHADMN Cc1nc(C)c(CN(C)[C@H](C)c2cccc(O)c2)s1 ZINC000172799736 1120301103 /nfs/dbraw/zinc/30/11/03/1120301103.db2.gz PWCCHXDIDVZRJX-LLVKDONJSA-N 0 1 276.405 3.659 20 0 CHADMN Cc1sccc1CNCc1cccnc1OC(C)C ZINC000382231691 1128906489 /nfs/dbraw/zinc/90/64/89/1128906489.db2.gz UZMVDQDYOGEQHI-UHFFFAOYSA-N 0 1 276.405 3.529 20 0 CHADMN CN(C(=O)c1cnc(C2CC2)[nH]1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416293423 1120305877 /nfs/dbraw/zinc/30/58/77/1120305877.db2.gz QPWPKMHQUFKGRG-TZMCWYRMSA-N 0 1 289.423 3.574 20 0 CHADMN C[C@H](CCCC(C)(C)O)Nc1cc(OCC2CC2)ccn1 ZINC001168697919 1120307305 /nfs/dbraw/zinc/30/73/05/1120307305.db2.gz HIDNMRASRDYAJK-CYBMUJFWSA-N 0 1 292.423 3.612 20 0 CHADMN Cc1cc(CN2C[C@@H](C)C[C@H]2c2cccc(F)c2)nc(C)n1 ZINC000659956566 1120308769 /nfs/dbraw/zinc/30/87/69/1120308769.db2.gz BOIQYFCCBXHFDZ-SGTLLEGYSA-N 0 1 299.393 3.816 20 0 CHADMN Cc1ccsc1CCNCc1nc(C(C)(C)C)co1 ZINC000921963103 1120308899 /nfs/dbraw/zinc/30/88/99/1120308899.db2.gz OPFUGRCPVDPTKR-UHFFFAOYSA-N 0 1 278.421 3.674 20 0 CHADMN CSc1ccc(NC(=O)c2ccc(F)cc2O)cc1 ZINC000228307087 1120310129 /nfs/dbraw/zinc/31/01/29/1120310129.db2.gz IZGMBTSGSDOCFP-UHFFFAOYSA-N 0 1 277.320 3.506 20 0 CHADMN COc1cc2c(cc1CNCc1ccc(C)cc1)O[C@H](C)C2 ZINC000072659754 1120310552 /nfs/dbraw/zinc/31/05/52/1120310552.db2.gz PTGJATYPPQLFJC-CQSZACIVSA-N 0 1 297.398 3.617 20 0 CHADMN C[C@H]1c2cccn2CCN1Cc1c(O)ccc(Cl)c1F ZINC000191169575 1128907207 /nfs/dbraw/zinc/90/72/07/1128907207.db2.gz DUUJCWUMKHGVMX-JTQLQIEISA-N 0 1 294.757 3.563 20 0 CHADMN Brc1ccc([C@@H]2CCCN2CCC2CC2)nc1 ZINC000339167198 1120312584 /nfs/dbraw/zinc/31/25/84/1120312584.db2.gz UTZCVTMQNRRVAB-AWEZNQCLSA-N 0 1 295.224 3.781 20 0 CHADMN CCc1nnc(CN(CC(C)(C)C)CC(C)(C)C)o1 ZINC000182078391 1120313447 /nfs/dbraw/zinc/31/34/47/1120313447.db2.gz OBJYGGCKZFOPLC-UHFFFAOYSA-N 0 1 267.417 3.526 20 0 CHADMN CCC(C)(C)CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000672486095 1120314201 /nfs/dbraw/zinc/31/42/01/1120314201.db2.gz XOAYYDWAGUPKIR-UHFFFAOYSA-N 0 1 273.735 3.950 20 0 CHADMN Cc1cnc(N[C@@H](C)CCCC(C)(C)O)c2[nH]ccc21 ZINC001168699163 1120322450 /nfs/dbraw/zinc/32/24/50/1120322450.db2.gz QRFJLEAXBYUNAM-LBPRGKRZSA-N 0 1 275.396 3.613 20 0 CHADMN Cc1cccc([C@@H](C)NCc2nn(C)c3ccccc23)c1 ZINC000157302904 1120327216 /nfs/dbraw/zinc/32/72/16/1120327216.db2.gz SCGBUEQLPBPEEK-CQSZACIVSA-N 0 1 279.387 3.733 20 0 CHADMN Cc1nnc(CNCC(C)(C)C2CCCCC2)s1 ZINC000893240309 1120327460 /nfs/dbraw/zinc/32/74/60/1120327460.db2.gz YZYJNAHAAHMYEW-UHFFFAOYSA-N 0 1 267.442 3.543 20 0 CHADMN C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000819352596 1131243622 /nfs/dbraw/zinc/24/36/22/1131243622.db2.gz PQKUCKVQPNPRQJ-WFASDCNBSA-N 0 1 292.398 3.652 20 0 CHADMN Cc1cc(C)cc([C@H]2CCN(Cn3cccnc3=S)C2)c1 ZINC000182797566 1120329701 /nfs/dbraw/zinc/32/97/01/1120329701.db2.gz UMYKGAVAMJOCJD-HNNXBMFYSA-N 0 1 299.443 3.676 20 0 CHADMN COc1ccc(CN[C@@H](c2ccc(F)c(C)c2)C2CC2)o1 ZINC000893240822 1120329718 /nfs/dbraw/zinc/32/97/18/1120329718.db2.gz ZEWBHUXOKHRLBX-QGZVFWFLSA-N 0 1 289.350 3.977 20 0 CHADMN C[C@H](c1ccccc1)N1CC[C@@H](N[C@@H]2CCCC2(F)F)C1 ZINC000672622238 1120335964 /nfs/dbraw/zinc/33/59/64/1120335964.db2.gz DJTASVCARFRAOI-FVQBIDKESA-N 0 1 294.389 3.599 20 0 CHADMN c1csc([C@@H]2C[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CCO2)c1 ZINC000660004940 1120336646 /nfs/dbraw/zinc/33/66/46/1120336646.db2.gz ITDPIHSNODGNGC-KBXIAJHMSA-N 0 1 277.433 3.558 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)[C@@H]2CCC[C@@H]21 ZINC000629374065 1128909095 /nfs/dbraw/zinc/90/90/95/1128909095.db2.gz PDFGNJOHXSHIHL-BZUAXINKSA-N 0 1 299.370 3.508 20 0 CHADMN CCc1nocc1CN[C@@H]1CCSc2ccccc21 ZINC000339176195 1120337536 /nfs/dbraw/zinc/33/75/36/1120337536.db2.gz XTLZMRVDJQNZDJ-CQSZACIVSA-N 0 1 274.389 3.564 20 0 CHADMN CCN(Cc1c(F)cccc1Cl)C[C@@H]1CCCOC1 ZINC001207471673 1120339230 /nfs/dbraw/zinc/33/92/30/1120339230.db2.gz UGAVSLXXMMZYFT-LBPRGKRZSA-N 0 1 285.790 3.728 20 0 CHADMN CC(C)Cn1cc(CN2C[C@@H](C)[C@H]2c2ccccc2)cn1 ZINC000183397204 1120341064 /nfs/dbraw/zinc/34/10/64/1120341064.db2.gz GOVWAQKOQPULEI-QAPCUYQASA-N 0 1 283.419 3.732 20 0 CHADMN CCCN[C@@H](C)c1nc(CSCc2ccccc2)no1 ZINC000843192077 1120341381 /nfs/dbraw/zinc/34/13/81/1120341381.db2.gz WKTKWSLHLFGDIJ-LBPRGKRZSA-N 0 1 291.420 3.564 20 0 CHADMN CCc1ccc([C@@H](NCc2cc(OC)no2)C(C)C)cc1 ZINC000660020750 1120343267 /nfs/dbraw/zinc/34/32/67/1120343267.db2.gz GCBYPDTYYDLZCV-KRWDZBQOSA-N 0 1 288.391 3.733 20 0 CHADMN COc1cc(CN(C2CC2)[C@H]2CCCc3ccccc32)on1 ZINC000660035784 1120350129 /nfs/dbraw/zinc/35/01/29/1120350129.db2.gz BYFFHLUGBTUOCW-KRWDZBQOSA-N 0 1 298.386 3.725 20 0 CHADMN COc1cncc(CN[C@H](C)c2oc3ccccc3c2C)c1 ZINC000343855074 1120350426 /nfs/dbraw/zinc/35/04/26/1120350426.db2.gz VHDBJMGMCXASBL-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN CCc1nocc1CNC1(c2ccc(F)cc2)CCCC1 ZINC000660065017 1120357771 /nfs/dbraw/zinc/35/77/71/1120357771.db2.gz ZEANLRFKOGVDJP-UHFFFAOYSA-N 0 1 288.366 3.935 20 0 CHADMN CC(C)(C)c1coc(CNCCc2ccc3[nH]ccc3c2)n1 ZINC000922097786 1120366917 /nfs/dbraw/zinc/36/69/17/1120366917.db2.gz BLBRMMXTGIJFER-UHFFFAOYSA-N 0 1 297.402 3.786 20 0 CHADMN COc1cccc(CNCc2cc(C)cc(C)c2)c1OC ZINC000065932426 1120369337 /nfs/dbraw/zinc/36/93/37/1120369337.db2.gz CKZLYERAXCJIFV-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN CC[C@@H](NC[C@H](O)c1cccc(Cl)c1)c1nccs1 ZINC000185118312 1120370898 /nfs/dbraw/zinc/37/08/98/1120370898.db2.gz BZWXRMWCKFNZPQ-OLZOCXBDSA-N 0 1 296.823 3.571 20 0 CHADMN C[C@H](C[C@H]1CCOC1)N[C@H](CCc1ccccc1)C(F)F ZINC000779406343 1128912237 /nfs/dbraw/zinc/91/22/37/1128912237.db2.gz IWNMDFONTYXMLP-FVQBIDKESA-N 0 1 297.389 3.658 20 0 CHADMN CCOC1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000618443810 1128912405 /nfs/dbraw/zinc/91/24/05/1128912405.db2.gz YGDKZSWKSHSPMQ-LLVKDONJSA-N 0 1 269.335 3.527 20 0 CHADMN COc1ccc2c(c1)CCCN(Cc1ccc(F)cc1)C2 ZINC000078489106 1120383817 /nfs/dbraw/zinc/38/38/17/1120383817.db2.gz RJGAYGMUVWCKOD-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN CC[C@H]1c2ccccc2CCN1CCOCC(F)(F)F ZINC000114493470 1120384870 /nfs/dbraw/zinc/38/48/70/1120384870.db2.gz CHUIQKFYULWAPQ-AWEZNQCLSA-N 0 1 287.325 3.575 20 0 CHADMN CC(C)n1ccc(CN2CC[C@H](Cc3ccccc3)C2)n1 ZINC000172854107 1120394308 /nfs/dbraw/zinc/39/43/08/1120394308.db2.gz ZJPBCBCRKZELTN-QGZVFWFLSA-N 0 1 283.419 3.529 20 0 CHADMN COC[C@H](NCc1cc[nH]c1)c1cccc(C(F)(F)F)c1 ZINC000086254615 1120396139 /nfs/dbraw/zinc/39/61/39/1120396139.db2.gz FDGWONQSDIXCFV-AWEZNQCLSA-N 0 1 298.308 3.511 20 0 CHADMN C[C@H](NC1CC(C(C)(C)C)C1)c1cn(-c2ccccc2)nn1 ZINC000584669160 1120403294 /nfs/dbraw/zinc/40/32/94/1120403294.db2.gz JYCXUDKBKAMQHG-NFOMZHRRSA-N 0 1 298.434 3.743 20 0 CHADMN COc1cc(CN2CC[C@@H]2C2CC2)cc(C(F)(F)F)c1 ZINC000628297543 1120424736 /nfs/dbraw/zinc/42/47/36/1120424736.db2.gz BUORBMIGLYNYAV-CQSZACIVSA-N 0 1 285.309 3.698 20 0 CHADMN Cc1ccc(CN(C)Cc2c(C)cccc2C)nc1 ZINC000682788271 1120425849 /nfs/dbraw/zinc/42/58/49/1120425849.db2.gz SLLSVEFWPYPICF-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN Cc1ccnc(CN2CCc3ccccc3[C@@H]2C)c1 ZINC000683008421 1120432870 /nfs/dbraw/zinc/43/28/70/1120432870.db2.gz XFMCTBSJYHRIEB-AWEZNQCLSA-N 0 1 252.361 3.509 20 0 CHADMN CCc1nocc1CN[C@@H](C)c1cc(C)cc(C)c1 ZINC000660198335 1120434211 /nfs/dbraw/zinc/43/42/11/1120434211.db2.gz WBESXYWQMHFZQK-ZDUSSCGKSA-N 0 1 258.365 3.705 20 0 CHADMN COc1cc(CN[C@H](C)c2cccc(C)c2C)sn1 ZINC000660198168 1120435758 /nfs/dbraw/zinc/43/57/58/1120435758.db2.gz WSPRKRWATHVUKW-GFCCVEGCSA-N 0 1 276.405 3.619 20 0 CHADMN Fc1cncc([C@H](N[C@H]2COCc3ccccc32)C2CC2)c1 ZINC000417364545 1120437621 /nfs/dbraw/zinc/43/76/21/1120437621.db2.gz MXTFXGLXNYEPII-ZWKOTPCHSA-N 0 1 298.361 3.533 20 0 CHADMN Cc1c([C@@H](C)N[C@H]2COCc3ccccc32)cnn1C(C)C ZINC000417371715 1120439623 /nfs/dbraw/zinc/43/96/23/1120439623.db2.gz VVWPXPPLUKOMPE-ACJLOTCBSA-N 0 1 299.418 3.695 20 0 CHADMN c1ccc2c(c1)COC[C@H]2N[C@@H]1CCCNc2ccccc21 ZINC000417373437 1120440000 /nfs/dbraw/zinc/44/00/00/1120440000.db2.gz YBEOZDIXORDAME-RTBURBONSA-N 0 1 294.398 3.795 20 0 CHADMN CC(C)[C@@H](O)CNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000357545938 1120440885 /nfs/dbraw/zinc/44/08/85/1120440885.db2.gz ZYENKDCFXAZUEF-AWEZNQCLSA-N 0 1 298.308 3.682 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1nc(C(C)(C)C)no1 ZINC000115555203 1120441298 /nfs/dbraw/zinc/44/12/98/1120441298.db2.gz QVEAGTAUGICJDF-HIFRSBDPSA-N 0 1 299.418 3.745 20 0 CHADMN C[C@H]1CCCCC[N@H+]1CC[C@H](C(=O)[O-])c1ccccc1 ZINC000584785934 1120446402 /nfs/dbraw/zinc/44/64/02/1120446402.db2.gz UJDPJMRTNPVRLR-HOCLYGCPSA-N 0 1 275.392 3.509 20 0 CHADMN Cc1ccc2c(ccnc2NC2(C3CCOCC3)CC2)c1 ZINC001167744016 1120451829 /nfs/dbraw/zinc/45/18/29/1120451829.db2.gz LOLODWCXGFIXRZ-UHFFFAOYSA-N 0 1 282.387 3.914 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N(C)C[C@H]1CC=CCC1 ZINC000543173746 1120453237 /nfs/dbraw/zinc/45/32/37/1120453237.db2.gz ZNNQQGFYYHIXKN-OLZOCXBDSA-N 0 1 277.412 3.716 20 0 CHADMN CCC[C@@H](NC(=O)c1n[nH]c2ccccc21)c1ccccc1 ZINC000018135619 1120453319 /nfs/dbraw/zinc/45/33/19/1120453319.db2.gz XWGYVKPEDQMBRT-OAHLLOKOSA-N 0 1 293.370 3.834 20 0 CHADMN COc1cc([C@H](C)N[C@@H]2CC[C@@H](C)c3ccccc32)on1 ZINC000925611891 1120461575 /nfs/dbraw/zinc/46/15/75/1120461575.db2.gz PRYXHBCICPZACJ-TYNCELHUSA-N 0 1 286.375 3.972 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(Cc2ccc(C)s2)no1 ZINC000843232094 1120465341 /nfs/dbraw/zinc/46/53/41/1120465341.db2.gz LMFUOIFQYXAKJN-GFCCVEGCSA-N 0 1 293.436 3.727 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cc2nnc(C3CC3)o2)CC1 ZINC000116309244 1120467472 /nfs/dbraw/zinc/46/74/72/1120467472.db2.gz ZGBOKNRUDXJQJR-ZDUSSCGKSA-N 0 1 277.412 3.595 20 0 CHADMN CC(C)(C)C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000080409849 1120468282 /nfs/dbraw/zinc/46/82/82/1120468282.db2.gz VCFKJRYIJBDPFR-UHFFFAOYSA-N 0 1 283.331 3.808 20 0 CHADMN CCCCCc1cc(C(=O)N2C[C@@H]3CCCC[C@@]32C)n[nH]1 ZINC000629620444 1128918643 /nfs/dbraw/zinc/91/86/43/1128918643.db2.gz WVKPTJHENZAHMK-GUYCJALGSA-N 0 1 289.423 3.547 20 0 CHADMN CCn1cncc1CN(C)[C@@H](C)c1ccc(C)cc1C ZINC000417696104 1120474278 /nfs/dbraw/zinc/47/42/78/1120474278.db2.gz BEGIEUKYESMYOA-HNNXBMFYSA-N 0 1 271.408 3.713 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2cc(C)ccc2C)n(C)n1 ZINC000417701541 1120474649 /nfs/dbraw/zinc/47/46/49/1120474649.db2.gz IDCULJOPUDMIAK-HNNXBMFYSA-N 0 1 271.408 3.538 20 0 CHADMN CCCn1nccc1CNC1(c2cccc(F)c2)CCC1 ZINC000657498212 1120476972 /nfs/dbraw/zinc/47/69/72/1120476972.db2.gz CAKLHYVTKCTJQU-UHFFFAOYSA-N 0 1 287.382 3.601 20 0 CHADMN C[C@H](NC[C@@H]1C[C@H]2C[C@H]2C1)c1nc(C2CCCCC2)no1 ZINC000660274639 1120477441 /nfs/dbraw/zinc/47/74/41/1120477441.db2.gz VORZGTQYCNYQSQ-VIRABCJISA-N 0 1 289.423 3.814 20 0 CHADMN CCN(Cc1ccc(F)nc1)[C@H](C)c1cccc(O)c1 ZINC000189303125 1120479587 /nfs/dbraw/zinc/47/95/87/1120479587.db2.gz LZGDPOATKOIZOI-GFCCVEGCSA-N 0 1 274.339 3.509 20 0 CHADMN CC(C)C[C@@H](O)CNCc1cc(Cl)sc1Cl ZINC000312582940 1120481939 /nfs/dbraw/zinc/48/19/39/1120481939.db2.gz NTCBWERDEXROPR-SECBINFHSA-N 0 1 282.236 3.552 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1Cc1ccc(F)nc1 ZINC000189582574 1120485248 /nfs/dbraw/zinc/48/52/48/1120485248.db2.gz DQBBSOBLZQJWFD-MRXNPFEDSA-N 0 1 270.351 3.558 20 0 CHADMN Cc1ccccc1-c1noc(CN(C2CCC2)C2CCC2)n1 ZINC000644785048 1120488265 /nfs/dbraw/zinc/48/82/65/1120488265.db2.gz HMDNUNCQFLVBMG-UHFFFAOYSA-N 0 1 297.402 3.952 20 0 CHADMN CCOc1ccccc1[C@@H](CC)NCc1cncn1CC ZINC000417886300 1120488664 /nfs/dbraw/zinc/48/86/64/1120488664.db2.gz HLXCODJCPUEQDM-MRXNPFEDSA-N 0 1 287.407 3.543 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1NCc1nnc(C(F)(F)F)s1 ZINC000660305712 1120489985 /nfs/dbraw/zinc/48/99/85/1120489985.db2.gz MQMSNLOQYSSTRU-BDAKNGLRSA-N 0 1 293.358 3.615 20 0 CHADMN CCC(=O)CCN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000190180978 1120494825 /nfs/dbraw/zinc/49/48/25/1120494825.db2.gz QNFTUOAKFZCBFZ-UHFFFAOYSA-N 0 1 274.191 3.794 20 0 CHADMN CCC(=O)CCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000190165231 1120495012 /nfs/dbraw/zinc/49/50/12/1120495012.db2.gz HMUYBFKHCVKAKU-BLLLJJGKSA-N 0 1 275.392 3.737 20 0 CHADMN CCCN[C@H](C)c1nc(-c2cc(C)c3ccccc3n2)no1 ZINC000319193878 1120501958 /nfs/dbraw/zinc/50/19/58/1120501958.db2.gz JJCHUWTYKYRBAB-GFCCVEGCSA-N 0 1 296.374 3.654 20 0 CHADMN Fc1cccc(C[N@H+]2CC[C@@H]3CCC[C@H]32)c1OC(F)F ZINC000660332618 1120509141 /nfs/dbraw/zinc/50/91/41/1120509141.db2.gz RUHMVCWSTFZSGF-GXFFZTMASA-N 0 1 285.309 3.802 20 0 CHADMN Fc1cccc(CN2CC[C@@H]3CCC[C@H]32)c1OC(F)F ZINC000660332618 1120509145 /nfs/dbraw/zinc/50/91/45/1120509145.db2.gz RUHMVCWSTFZSGF-GXFFZTMASA-N 0 1 285.309 3.802 20 0 CHADMN CSc1ccc(CN[C@H]2CCc3ccc(O)cc32)s1 ZINC000657692798 1120509448 /nfs/dbraw/zinc/50/94/48/1120509448.db2.gz DTHPGEFMRDSWHP-AWEZNQCLSA-N 0 1 291.441 3.953 20 0 CHADMN c1ncc(CNc2nc3ccccc3n2C2CCCCC2)[nH]1 ZINC000922327877 1120514101 /nfs/dbraw/zinc/51/41/01/1120514101.db2.gz BYZLPRFIAHJZMU-UHFFFAOYSA-N 0 1 295.390 3.877 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(C3CC3)cc2)nn1 ZINC000418111128 1120519790 /nfs/dbraw/zinc/51/97/90/1120519790.db2.gz DNNSWFZDFYBBSY-CYBMUJFWSA-N 0 1 267.376 3.513 20 0 CHADMN CCc1nc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)cs1 ZINC000355071027 1120521558 /nfs/dbraw/zinc/52/15/58/1120521558.db2.gz AVVSOHRLRARXAP-IJLUTSLNSA-N 0 1 252.427 3.572 20 0 CHADMN CCN(CC(=O)Nc1c(C)cccc1C)[C@H]1C=CCCC1 ZINC000172975891 1120524734 /nfs/dbraw/zinc/52/47/34/1120524734.db2.gz GGTRGYQRLINIKX-INIZCTEOSA-N 0 1 286.419 3.673 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1F ZINC000473043685 1120525081 /nfs/dbraw/zinc/52/50/81/1120525081.db2.gz FIERCHAAKQLDRY-IBGZPJMESA-N 0 1 297.373 3.766 20 0 CHADMN CC(C)(C)c1ccc(NC(=O)[C@H](N)c2ccccc2)cc1 ZINC000019809668 1120526118 /nfs/dbraw/zinc/52/61/18/1120526118.db2.gz WCVCSPXUFHVSTI-MRXNPFEDSA-N 0 1 282.387 3.623 20 0 CHADMN O=C(NCc1ccccc1Cl)c1ccc(O)c(Cl)c1 ZINC000019838463 1120528860 /nfs/dbraw/zinc/52/88/60/1120528860.db2.gz XPEGCQFZFYTJRD-UHFFFAOYSA-N 0 1 296.153 3.629 20 0 CHADMN CCCC[C@H](CC)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000367666343 1120529623 /nfs/dbraw/zinc/52/96/23/1120529623.db2.gz MQQAVQWFHONGHS-AWEZNQCLSA-N 0 1 291.439 3.641 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CC[C@H](C)[C@@H](C)C3)n[nH]2)cc1 ZINC000500208853 1120532858 /nfs/dbraw/zinc/53/28/58/1120532858.db2.gz WLZDIGUGIJHXRU-KBPBESRZSA-N 0 1 297.402 3.503 20 0 CHADMN COC/C(C)=C\CNC(C)(C)c1nc2ccccc2s1 ZINC000931165386 1120543471 /nfs/dbraw/zinc/54/34/71/1120543471.db2.gz KHIZODWXDVUPBY-XFXZXTDPSA-N 0 1 290.432 3.714 20 0 CHADMN COc1ccccc1CN[C@H](C)c1cc(C)ccc1OC ZINC000019903272 1120547153 /nfs/dbraw/zinc/54/71/53/1120547153.db2.gz ITIFNZZQOAKSKR-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN Cc1cc(CO)cc(C)c1CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000922561832 1120551208 /nfs/dbraw/zinc/55/12/08/1120551208.db2.gz WKTUOZUSEWBLBG-RHSMWYFYSA-N 0 1 299.414 3.802 20 0 CHADMN Cc1[nH]c2ccc(CNCc3ccc(C)cn3)cc2c1C ZINC000343864362 1120555303 /nfs/dbraw/zinc/55/53/03/1120555303.db2.gz LGNNYEQNKAXHON-UHFFFAOYSA-N 0 1 279.387 3.778 20 0 CHADMN Nc1c(Cl)cccc1CN[C@H](c1ccccn1)C1CC1 ZINC000922583102 1120555602 /nfs/dbraw/zinc/55/56/02/1120555602.db2.gz UEUDHJHMONRVJP-INIZCTEOSA-N 0 1 287.794 3.558 20 0 CHADMN CCOc1cccc(CN[C@@H](c2ccccn2)C2CC2)c1 ZINC000922584849 1120556686 /nfs/dbraw/zinc/55/66/86/1120556686.db2.gz BUVUTRYMYODZPO-GOSISDBHSA-N 0 1 282.387 3.721 20 0 CHADMN Clc1cccc(CN[C@@H](c2ccccn2)C2CC2)c1 ZINC000922585175 1120557166 /nfs/dbraw/zinc/55/71/66/1120557166.db2.gz JIHGTJMJLKSVLF-MRXNPFEDSA-N 0 1 272.779 3.976 20 0 CHADMN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc2ccccc2c1 ZINC000389641856 1120557447 /nfs/dbraw/zinc/55/74/47/1120557447.db2.gz XVZXXQIDXOENFX-SQNIBIBYSA-N 0 1 295.382 3.525 20 0 CHADMN c1nc(C2CC2)c(CN[C@H](c2ccccn2)C2CC2)s1 ZINC000922586091 1120557874 /nfs/dbraw/zinc/55/78/74/1120557874.db2.gz VQZGCAHOEBNTKZ-HNNXBMFYSA-N 0 1 285.416 3.656 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H]1C[C@H](C)c2ccccc21 ZINC000783245246 1120559712 /nfs/dbraw/zinc/55/97/12/1120559712.db2.gz ROKFZGOJCPWRAT-RBOXIYTFSA-N 0 1 267.376 3.684 20 0 CHADMN FC1(F)CC[C@H](N[C@H](c2ccccc2)c2ccccn2)C1 ZINC000314429174 1120560674 /nfs/dbraw/zinc/56/06/74/1120560674.db2.gz BOMZNVBHMXWIRL-GOEBONIOSA-N 0 1 288.341 3.948 20 0 CHADMN C[C@H]1C(=O)CCN(CCc2ccccc2F)C12CCCC2 ZINC001207503159 1120562162 /nfs/dbraw/zinc/56/21/62/1120562162.db2.gz AMZRABKNOWCICO-AWEZNQCLSA-N 0 1 289.394 3.592 20 0 CHADMN CC[C@H](NCc1ccc(F)nc1)c1cc(F)ccc1OC ZINC000922621336 1120564307 /nfs/dbraw/zinc/56/43/07/1120564307.db2.gz KOLVVTDGANQNEW-AWEZNQCLSA-N 0 1 292.329 3.609 20 0 CHADMN CCC(CC)[C@@H](NCc1cn(C)cn1)c1cccs1 ZINC000673600831 1120567929 /nfs/dbraw/zinc/56/79/29/1120567929.db2.gz ZWKPCCJUURQXBZ-OAHLLOKOSA-N 0 1 277.437 3.749 20 0 CHADMN Fc1cccc2c1OCC[C@@H]2N[C@@H]1CCCc2occc21 ZINC000193333246 1120569992 /nfs/dbraw/zinc/56/99/92/1120569992.db2.gz NWGDOSJKYVAIAI-CABCVRRESA-N 0 1 287.334 3.910 20 0 CHADMN CC(C)(/C=C/Cl)NCc1cnc([C@@H]2CCCO2)s1 ZINC000922647461 1120571587 /nfs/dbraw/zinc/57/15/87/1120571587.db2.gz CIBJFJLUFDRDNL-QRGHLMKCSA-N 0 1 286.828 3.615 20 0 CHADMN C[C@@H](NCCOC(F)F)c1ccc(Cl)cc1Cl ZINC000398132007 1120572985 /nfs/dbraw/zinc/57/29/85/1120572985.db2.gz OUXZTHNHGCVJQO-SSDOTTSWSA-N 0 1 284.133 3.883 20 0 CHADMN C[C@H](c1ccccn1)N(C)CCOc1ccccc1Cl ZINC000176992948 1120573236 /nfs/dbraw/zinc/57/32/36/1120573236.db2.gz QTYCTCCMVNYEGV-CYBMUJFWSA-N 0 1 290.794 3.807 20 0 CHADMN CN(c1nc(CN2CCCC3(CC3)CC2)cs1)C1CC1 ZINC000626113916 1120573809 /nfs/dbraw/zinc/57/38/09/1120573809.db2.gz LVFQHFGDROCDDQ-UHFFFAOYSA-N 0 1 291.464 3.508 20 0 CHADMN CC(C)N1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428930286 1120574334 /nfs/dbraw/zinc/57/43/34/1120574334.db2.gz WTHRZODCCWWAHT-RISCZKNCSA-N 0 1 287.325 3.876 20 0 CHADMN FC1(F)C[C@]12CCN(Cc1cscc1Cl)C2 ZINC000652063339 1120574987 /nfs/dbraw/zinc/57/49/87/1120574987.db2.gz JPERLAWQTCZZIW-JTQLQIEISA-N 0 1 263.740 3.633 20 0 CHADMN FC1(F)C[C@@]12CCN(Cc1cnc(-c3ccco3)s1)C2 ZINC000652064270 1120576131 /nfs/dbraw/zinc/57/61/31/1120576131.db2.gz JTKPRBNIGXCHGD-CYBMUJFWSA-N 0 1 296.342 3.634 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc3c(n2)CCC3)cc1C ZINC000922675356 1120579624 /nfs/dbraw/zinc/57/96/24/1120579624.db2.gz SVDDOSZGXDSJOJ-AWEZNQCLSA-N 0 1 296.414 3.738 20 0 CHADMN CCCCc1noc([C@H](C)N[C@@H](CCOC)C(C)(C)C)n1 ZINC000508996235 1120580710 /nfs/dbraw/zinc/58/07/10/1120580710.db2.gz FLJFCGUYCFOGHW-STQMWFEESA-N 0 1 297.443 3.514 20 0 CHADMN Clc1ccccc1-c1ccc([C@H]2COCCN2)cc1 ZINC000629691373 1128925870 /nfs/dbraw/zinc/92/58/70/1128925870.db2.gz WTUPQBBSRABVSP-MRXNPFEDSA-N 0 1 273.763 3.668 20 0 CHADMN Cc1cc(CN(C)[C@@H](c2ccc(F)cc2)C(C)C)ncn1 ZINC000428947016 1120581608 /nfs/dbraw/zinc/58/16/08/1120581608.db2.gz MPFKJAUEZMZKIO-QGZVFWFLSA-N 0 1 287.382 3.753 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@H](C)c1ccnn1C1CCC1 ZINC000925684967 1120585175 /nfs/dbraw/zinc/58/51/75/1120585175.db2.gz JRUJNOXSBFXSKY-UONOGXRCSA-N 0 1 298.434 3.977 20 0 CHADMN CCCc1nc(C)c(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)o1 ZINC000428959718 1120587554 /nfs/dbraw/zinc/58/75/54/1120587554.db2.gz YPDCCKBKIVZWQL-WDEREUQCSA-N 0 1 290.329 3.708 20 0 CHADMN CCc1nc(C)c(CN(C)Cc2cccc3[nH]ccc32)o1 ZINC000428962148 1120588352 /nfs/dbraw/zinc/58/83/52/1120588352.db2.gz MURQUDFQCURAKR-UHFFFAOYSA-N 0 1 283.375 3.659 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3nnc(C(C)C)[nH]3)C2)cc1 ZINC000428964651 1120588410 /nfs/dbraw/zinc/58/84/10/1120588410.db2.gz RJUUKXXZYGUJFS-ZBFHGGJFSA-N 0 1 298.434 3.615 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)N(Cc3nnc(C(C)C)[nH]3)C2)cc1 ZINC000428964651 1120588413 /nfs/dbraw/zinc/58/84/13/1120588413.db2.gz RJUUKXXZYGUJFS-ZBFHGGJFSA-N 0 1 298.434 3.615 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3nnc(C(C)C)[nH]3)C2)cc1 ZINC000428964650 1120588503 /nfs/dbraw/zinc/58/85/03/1120588503.db2.gz RJUUKXXZYGUJFS-HOCLYGCPSA-N 0 1 298.434 3.615 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)N(Cc3nnc(C(C)C)[nH]3)C2)cc1 ZINC000428964650 1120588507 /nfs/dbraw/zinc/58/85/07/1120588507.db2.gz RJUUKXXZYGUJFS-HOCLYGCPSA-N 0 1 298.434 3.615 20 0 CHADMN Cc1ccc(N2N=C3CCCC[C@@H]3C2=O)c(Cl)c1 ZINC000634594027 1128926633 /nfs/dbraw/zinc/92/66/33/1128926633.db2.gz IDJJZZYZYSQZEW-JTQLQIEISA-N 0 1 262.740 3.541 20 0 CHADMN Cc1ccc(-n2[nH]c3c(c2=O)CCCC3)c(Cl)c1 ZINC000634594027 1128926636 /nfs/dbraw/zinc/92/66/36/1128926636.db2.gz IDJJZZYZYSQZEW-JTQLQIEISA-N 0 1 262.740 3.541 20 0 CHADMN CC(C)c1nc(CN2C[C@@H](C)CC[C@H]2c2ccccc2)n[nH]1 ZINC000428977187 1120594852 /nfs/dbraw/zinc/59/48/52/1120594852.db2.gz MSQDPWNRKNLDOJ-HOCLYGCPSA-N 0 1 298.434 3.901 20 0 CHADMN C[C@H](CF)NCc1cccc(Oc2ccccc2)c1 ZINC000673619134 1120603163 /nfs/dbraw/zinc/60/31/63/1120603163.db2.gz GPSCJYOHNNAMDK-CYBMUJFWSA-N 0 1 259.324 3.927 20 0 CHADMN CC(C)OC[C@H](C)NCc1csc(-c2ccccc2)n1 ZINC000500390865 1120604601 /nfs/dbraw/zinc/60/46/01/1120604601.db2.gz DEDXFEHEDVRUAS-ZDUSSCGKSA-N 0 1 290.432 3.713 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCOC[C@@H](C2CCC2)C1 ZINC000428998576 1120608710 /nfs/dbraw/zinc/60/87/10/1120608710.db2.gz KLYUKQZDJVVAPV-OCCSQVGLSA-N 0 1 295.373 3.774 20 0 CHADMN CCc1ccc(-c2noc(CN3CCC[C@H](CC)C3)n2)cc1 ZINC000509041587 1120612346 /nfs/dbraw/zinc/61/23/46/1120612346.db2.gz RXAOOJSGOPCQIC-HNNXBMFYSA-N 0 1 299.418 3.921 20 0 CHADMN c1nc(C2CCC2)sc1CN[C@@H]1CCCc2cccnc21 ZINC000922877506 1120616425 /nfs/dbraw/zinc/61/64/25/1120616425.db2.gz MSDHDZYDANBAOD-OAHLLOKOSA-N 0 1 299.443 3.973 20 0 CHADMN COc1cccc(C)c1CN[C@H]1CCCc2cccnc21 ZINC000922883250 1120618217 /nfs/dbraw/zinc/61/82/17/1120618217.db2.gz FMLNRJCGTJHFDG-INIZCTEOSA-N 0 1 282.387 3.566 20 0 CHADMN CC(C)Cc1ccc(CNc2ccc3c(c2)CN(C)C3)cn1 ZINC000893376226 1120626304 /nfs/dbraw/zinc/62/63/04/1120626304.db2.gz IKHUGUICLYALCN-UHFFFAOYSA-N 0 1 295.430 3.838 20 0 CHADMN CCN1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000109791963 1120628108 /nfs/dbraw/zinc/62/81/08/1120628108.db2.gz UDNZTIYIUXSBSM-HNNXBMFYSA-N 0 1 273.355 3.763 20 0 CHADMN CC(C)CCC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000429047277 1120628305 /nfs/dbraw/zinc/62/83/05/1120628305.db2.gz KCIYWRQZEMAILN-UHFFFAOYSA-N 0 1 283.419 3.667 20 0 CHADMN CCO[C@H](C[N@@H+](C)[C@@H](C)c1cc(F)ccc1F)C1CC1 ZINC000625087992 1120631403 /nfs/dbraw/zinc/63/14/03/1120631403.db2.gz HYYUHMPHTJMGNY-MEDUHNTESA-N 0 1 283.362 3.773 20 0 CHADMN CCO[C@H](CN(C)[C@@H](C)c1cc(F)ccc1F)C1CC1 ZINC000625087992 1120631405 /nfs/dbraw/zinc/63/14/05/1120631405.db2.gz HYYUHMPHTJMGNY-MEDUHNTESA-N 0 1 283.362 3.773 20 0 CHADMN COc1ccc([C@H](NCc2cnc(C)o2)C2CCC2)cc1 ZINC000922886565 1120631720 /nfs/dbraw/zinc/63/17/20/1120631720.db2.gz BYIAUTJENNTEIP-QGZVFWFLSA-N 0 1 286.375 3.623 20 0 CHADMN CCCN(Cc1ccncc1Br)CC(C)C ZINC000625112236 1120635567 /nfs/dbraw/zinc/63/55/67/1120635567.db2.gz BQBCTDSKOUOANL-UHFFFAOYSA-N 0 1 285.229 3.712 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1cc(C)n(C)n1)c1ccccc1 ZINC000282414408 1120636693 /nfs/dbraw/zinc/63/66/93/1120636693.db2.gz YISUFUVVICDNJE-GOEBONIOSA-N 0 1 271.408 3.921 20 0 CHADMN CC1=C(c2ccco2)CN(Cc2cc(C3CC3)no2)CC1 ZINC000660487077 1120637979 /nfs/dbraw/zinc/63/79/79/1120637979.db2.gz MHIGWIVZPQIKCR-UHFFFAOYSA-N 0 1 284.359 3.824 20 0 CHADMN COc1ccc(-c2n[nH]c(SC3CCCCC3)n2)cc1 ZINC000509094767 1120638508 /nfs/dbraw/zinc/63/85/08/1120638508.db2.gz CMDIRAPDKRJYNT-UHFFFAOYSA-N 0 1 289.404 3.905 20 0 CHADMN CC(C)(C)[C@H]1CCCN1Cc1ccncc1Br ZINC000625139139 1120638722 /nfs/dbraw/zinc/63/87/22/1120638722.db2.gz MPPCNBGBUIXOPU-CYBMUJFWSA-N 0 1 297.240 3.855 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)NC2CCCCCC2)o1 ZINC000047220771 1120642546 /nfs/dbraw/zinc/64/25/46/1120642546.db2.gz GTNAGKYPQAGCNT-UHFFFAOYSA-N 0 1 292.423 3.574 20 0 CHADMN CCC(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000047234449 1120643703 /nfs/dbraw/zinc/64/37/03/1120643703.db2.gz OZIIADQCCPAJMG-UHFFFAOYSA-N 0 1 283.306 3.718 20 0 CHADMN CC[C@@H]1CCN(Cc2coc(-c3ccccc3F)n2)C1 ZINC000625225017 1120648254 /nfs/dbraw/zinc/64/82/54/1120648254.db2.gz OUOVXFGGYSYJED-GFCCVEGCSA-N 0 1 274.339 3.713 20 0 CHADMN Cc1cc(CN(C)CCC(F)(F)F)c2ccccc2n1 ZINC000511794157 1120648539 /nfs/dbraw/zinc/64/85/39/1120648539.db2.gz RSNUBQAOORLXSD-UHFFFAOYSA-N 0 1 282.309 3.927 20 0 CHADMN CC[C@H](C)CN(CC)Cc1ccncc1Br ZINC000625212391 1120648786 /nfs/dbraw/zinc/64/87/86/1120648786.db2.gz IEZLJFFZPWREIA-NSHDSACASA-N 0 1 285.229 3.712 20 0 CHADMN CCC[C@H](C)CCCN1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000625214165 1120648846 /nfs/dbraw/zinc/64/88/46/1120648846.db2.gz FTXMJBPXFUQDLC-KBPBESRZSA-N 0 1 294.405 3.771 20 0 CHADMN Clc1cccnc1CN1CCSC2(CCCCC2)C1 ZINC000625220323 1120649796 /nfs/dbraw/zinc/64/97/96/1120649796.db2.gz HDTXGEKQYDOBMS-UHFFFAOYSA-N 0 1 296.867 3.987 20 0 CHADMN CCCCO[C@H]1C[C@@H](NCc2cc(C3CC3)no2)C1(C)C ZINC000660529359 1120651439 /nfs/dbraw/zinc/65/14/39/1120651439.db2.gz CDMARZPBNOHWSI-CVEARBPZSA-N 0 1 292.423 3.625 20 0 CHADMN Cn1nccc1[C@@H]1CCCCN1C/C=C\c1ccccc1 ZINC000500431855 1120653306 /nfs/dbraw/zinc/65/33/06/1120653306.db2.gz ZSRDYRXFUKKAGD-VOCYLRNQSA-N 0 1 281.403 3.661 20 0 CHADMN CC[C@@H]1CN(C/C(C)=C\c2ccccc2)C[C@@H](C)O1 ZINC000511827376 1120657714 /nfs/dbraw/zinc/65/77/14/1120657714.db2.gz AYJICARTURAENC-PVLDGPILSA-N 0 1 259.393 3.589 20 0 CHADMN C[C@@H](NCc1cn(C)cn1)c1ccc(F)c2ccccc21 ZINC000673707486 1120661606 /nfs/dbraw/zinc/66/16/06/1120661606.db2.gz TYHCISVYPJKGOM-GFCCVEGCSA-N 0 1 283.350 3.563 20 0 CHADMN C[C@H]1CCN(Cc2cccc(Cl)n2)CC1(C)C ZINC000759923350 1120665641 /nfs/dbraw/zinc/66/56/41/1120665641.db2.gz PKIDTBQOUBXZBB-NSHDSACASA-N 0 1 252.789 3.603 20 0 CHADMN COc1cncc(CN[C@@H](C)c2cc3ccccc3s2)n1 ZINC000625321355 1120667389 /nfs/dbraw/zinc/66/73/89/1120667389.db2.gz LBDHQJLFOPOCGN-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN C[C@H](N(C)Cn1c(=O)oc2ccc(Cl)cc21)C(C)(C)C ZINC000026630712 1120668602 /nfs/dbraw/zinc/66/86/02/1120668602.db2.gz YUZXMVASYNMSSD-JTQLQIEISA-N 0 1 296.798 3.572 20 0 CHADMN CCc1noc(CN2CC[C@@H](c3ccccc3)[C@@H](CC)C2)n1 ZINC000673755119 1120668985 /nfs/dbraw/zinc/66/89/85/1120668985.db2.gz SPVUEGGWTMPPGN-GOEBONIOSA-N 0 1 299.418 3.648 20 0 CHADMN CC(C)Sc1ccc(C[N@H+]2CC[C@H](O)C[C@@H]2C)cc1 ZINC000429122813 1120670038 /nfs/dbraw/zinc/67/00/38/1120670038.db2.gz NFJNDQKBIBTZDO-ZFWWWQNUSA-N 0 1 279.449 3.532 20 0 CHADMN Cc1ccc2sc(C[N@H+]3CC[C@@H]4CCC[C@H]43)nc2c1 ZINC000625344162 1120670579 /nfs/dbraw/zinc/67/05/79/1120670579.db2.gz SFFKUSJHGGVHGH-GXTWGEPZSA-N 0 1 272.417 3.979 20 0 CHADMN Clc1ccc2nc(CN3CCC[C@@H]4CCC[C@@H]43)cn2c1 ZINC000511860044 1120670776 /nfs/dbraw/zinc/67/07/76/1120670776.db2.gz OWLDEEAEBINUBQ-WFASDCNBSA-N 0 1 289.810 3.752 20 0 CHADMN CCOc1ccccc1CSc1nc(C(C)(C)C)n[nH]1 ZINC000028855216 1120671204 /nfs/dbraw/zinc/67/12/04/1120671204.db2.gz FZEMCPPOPDHZPG-UHFFFAOYSA-N 0 1 291.420 3.793 20 0 CHADMN CCOc1ccccc1CSc1n[nH]c(C(C)(C)C)n1 ZINC000028855216 1120671205 /nfs/dbraw/zinc/67/12/05/1120671205.db2.gz FZEMCPPOPDHZPG-UHFFFAOYSA-N 0 1 291.420 3.793 20 0 CHADMN CC[C@@H]1CCCN(Cc2cn3cc(Cl)ccc3n2)C1 ZINC000642330139 1120675515 /nfs/dbraw/zinc/67/55/15/1120675515.db2.gz IQEZTQJWVKGZLE-GFCCVEGCSA-N 0 1 277.799 3.610 20 0 CHADMN CO[C@@H]1CCC[C@H](Nc2ccc3cnccc3c2)C1 ZINC000651604421 1120679479 /nfs/dbraw/zinc/67/94/79/1120679479.db2.gz JFSZBGJGROZTFV-GOEBONIOSA-N 0 1 256.349 3.604 20 0 CHADMN CCO[C@@H]1CCN(Cc2cccc(OC)c2Cl)C[C@H]1C ZINC000660720453 1120680165 /nfs/dbraw/zinc/68/01/65/1120680165.db2.gz OXEFNHVCISFQBW-TZMCWYRMSA-N 0 1 297.826 3.596 20 0 CHADMN CCOCCC[N@@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660708952 1120680707 /nfs/dbraw/zinc/68/07/07/1120680707.db2.gz DJNVBHCPJOHICB-NSHDSACASA-N 0 1 295.814 3.636 20 0 CHADMN CCOCCCN(C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660708952 1120680714 /nfs/dbraw/zinc/68/07/14/1120680714.db2.gz DJNVBHCPJOHICB-NSHDSACASA-N 0 1 295.814 3.636 20 0 CHADMN Brc1cnccc1CN(C1CCC1)C1CCC1 ZINC000625445760 1120681888 /nfs/dbraw/zinc/68/18/88/1120681888.db2.gz HOIOQXVCDSXSCJ-UHFFFAOYSA-N 0 1 295.224 3.751 20 0 CHADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]CC[C@@H]2CCC[C@H](C)C2)n1 ZINC000660749586 1120684003 /nfs/dbraw/zinc/68/40/03/1120684003.db2.gz YMKIEHVEIKDFID-JSGCOSHPSA-N 0 1 291.439 3.532 20 0 CHADMN Cc1ncc(CN(C)Cc2cccc3c2CCC3)s1 ZINC000651620600 1120684060 /nfs/dbraw/zinc/68/40/60/1120684060.db2.gz JWIHWFVSKNWUIZ-UHFFFAOYSA-N 0 1 272.417 3.572 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1cc2cnccc2o1 ZINC000651633536 1120687106 /nfs/dbraw/zinc/68/71/06/1120687106.db2.gz WJACYVZXMYMSOZ-ZDUSSCGKSA-N 0 1 278.355 3.947 20 0 CHADMN CCCc1occc1C(=O)Nc1cc2cn[nH]c2cc1C ZINC000282461018 1120687337 /nfs/dbraw/zinc/68/73/37/1120687337.db2.gz UAOPXQIELYRKCT-UHFFFAOYSA-N 0 1 283.331 3.669 20 0 CHADMN CCCc1cccc(CN(C)Cc2c(C)noc2C)c1 ZINC000186905979 1120693223 /nfs/dbraw/zinc/69/32/23/1120693223.db2.gz SPTHUOLUVSATOD-UHFFFAOYSA-N 0 1 272.392 3.876 20 0 CHADMN Cc1cccc(C)c1CN(Cc1cn(C)cn1)CC(C)C ZINC000660899671 1120698204 /nfs/dbraw/zinc/69/82/04/1120698204.db2.gz DDHZJHNWZSUFOJ-UHFFFAOYSA-N 0 1 285.435 3.695 20 0 CHADMN C[C@H]1Oc2ccccc2[C@@H]1NCc1ccc2cnccc2c1 ZINC000673950624 1120698789 /nfs/dbraw/zinc/69/87/89/1120698789.db2.gz YLBPUOZQGVYIQD-BFUOFWGJSA-N 0 1 290.366 3.847 20 0 CHADMN CCc1noc(CN2CCC[C@H]2CC2CCCCC2)n1 ZINC000057871646 1120699762 /nfs/dbraw/zinc/69/97/62/1120699762.db2.gz NVGSHGDKSCJHLN-AWEZNQCLSA-N 0 1 277.412 3.567 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cc(Cl)cs1 ZINC000093095176 1120700728 /nfs/dbraw/zinc/70/07/28/1120700728.db2.gz XSUSKXLLQPMFSK-ZETCQYMHSA-N 0 1 270.785 3.857 20 0 CHADMN Cc1nc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)c(C)o1 ZINC000660909800 1120701242 /nfs/dbraw/zinc/70/12/42/1120701242.db2.gz ZKCYZLDHWUFMMC-WDEREUQCSA-N 0 1 276.302 3.502 20 0 CHADMN Fc1ccc(-c2cnc(CN3C[C@@H]4CCCC[C@@H]43)o2)cc1 ZINC000660928656 1120705411 /nfs/dbraw/zinc/70/54/11/1120705411.db2.gz RAUNZLUXUPEGHV-ZFWWWQNUSA-N 0 1 286.350 3.855 20 0 CHADMN C[N@H+](Cc1cnc[nH]1)CC1CCC(c2ccccc2)CC1 ZINC000661088208 1120714579 /nfs/dbraw/zinc/71/45/79/1120714579.db2.gz GUQHCCNTWRISGL-UHFFFAOYSA-N 0 1 283.419 3.816 20 0 CHADMN CC[C@@H](C)N(CC)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000661108822 1120717040 /nfs/dbraw/zinc/71/70/40/1120717040.db2.gz VUSVRCGKZOMFKZ-SECBINFHSA-N 0 1 293.436 3.634 20 0 CHADMN Cc1csc(C(C)(C)NCc2cccc3c2CCC3)n1 ZINC000651712336 1120718177 /nfs/dbraw/zinc/71/81/77/1120718177.db2.gz BBGTTZNFOGCMSK-UHFFFAOYSA-N 0 1 286.444 3.965 20 0 CHADMN CCc1ccc([C@@H](COC)N[C@@H](COC)CC(C)(C)C)o1 ZINC000651714599 1120720675 /nfs/dbraw/zinc/72/06/75/1120720675.db2.gz HKUILEUIDQUSKZ-UKRRQHHQSA-N 0 1 297.439 3.570 20 0 CHADMN COc1ccc(CN(Cc2ccsc2)C(C)(C)C)cn1 ZINC000661135929 1120723637 /nfs/dbraw/zinc/72/36/37/1120723637.db2.gz MNCGSJUPPQOYOG-UHFFFAOYSA-N 0 1 290.432 3.952 20 0 CHADMN Cc1nccc(CN(Cc2ccsc2)C(C)(C)C)n1 ZINC000661136824 1120725604 /nfs/dbraw/zinc/72/56/04/1120725604.db2.gz WNCURPBVVUZGJR-UHFFFAOYSA-N 0 1 275.421 3.647 20 0 CHADMN C/C(=C\C=C\N)NC1c2ccccc2-c2ccccc21 ZINC001167776131 1120729806 /nfs/dbraw/zinc/72/98/06/1120729806.db2.gz HMOITRXTNKZDKR-PWHKKFIBSA-N 0 1 262.356 3.722 20 0 CHADMN CC[C@@H](NCc1cc2cnccc2o1)c1c(C)noc1C ZINC000651743956 1120733139 /nfs/dbraw/zinc/73/31/39/1120733139.db2.gz LAXZUSHIUUNDKU-CQSZACIVSA-N 0 1 285.347 3.674 20 0 CHADMN CCc1cnc(C[N@H+]2CCCC3(CCCC3)CC2)o1 ZINC000661229972 1120740920 /nfs/dbraw/zinc/74/09/20/1120740920.db2.gz TUHYHVCIFRQFEF-UHFFFAOYSA-N 0 1 262.397 3.783 20 0 CHADMN CCc1cnc(CN2CCCC3(CCCC3)CC2)o1 ZINC000661229972 1120740924 /nfs/dbraw/zinc/74/09/24/1120740924.db2.gz TUHYHVCIFRQFEF-UHFFFAOYSA-N 0 1 262.397 3.783 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N1N=C2[C@H](C)CC[C@H]2C1=O ZINC000634601103 1128937533 /nfs/dbraw/zinc/93/75/33/1128937533.db2.gz CRGVQJDVWCFIDL-GIPNMCIBSA-N 0 1 276.767 3.645 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)n1[nH]c2c(c1=O)CC[C@H]2C ZINC000634601103 1128937534 /nfs/dbraw/zinc/93/75/34/1128937534.db2.gz CRGVQJDVWCFIDL-GIPNMCIBSA-N 0 1 276.767 3.645 20 0 CHADMN c1c2cnccc2oc1CN1CCC[C@@H]1c1ccncc1 ZINC000651807887 1120751092 /nfs/dbraw/zinc/75/10/92/1120751092.db2.gz WYYQEWAJBKNDKP-MRXNPFEDSA-N 0 1 279.343 3.560 20 0 CHADMN CCCOc1ccc(-n2c(N)nc3ccc(C)cc32)cc1F ZINC001211666053 1120751126 /nfs/dbraw/zinc/75/11/26/1120751126.db2.gz QEPBMHZGJDKXSY-UHFFFAOYSA-N 0 1 299.349 3.844 20 0 CHADMN CC(C)(C)c1ccncc1CNCc1cc2cnccc2o1 ZINC000651830950 1120756735 /nfs/dbraw/zinc/75/67/35/1120756735.db2.gz YREHQPAVMZOEBQ-UHFFFAOYSA-N 0 1 295.386 3.810 20 0 CHADMN C[C@H](CCN[C@@H](C)c1cscn1)OCc1ccccc1 ZINC000661418074 1120763227 /nfs/dbraw/zinc/76/32/27/1120763227.db2.gz IOAMVYMNTQJUIX-KGLIPLIRSA-N 0 1 290.432 3.789 20 0 CHADMN CCc1ccccc1CN[C@H](COC)c1cccc(OC)c1 ZINC000661470646 1120769475 /nfs/dbraw/zinc/76/94/75/1120769475.db2.gz RAXUAHNHTBHAGA-LJQANCHMSA-N 0 1 299.414 3.735 20 0 CHADMN COc1cc(CN[C@H](c2ccccc2F)C(C)C)sn1 ZINC000661483729 1120770354 /nfs/dbraw/zinc/77/03/54/1120770354.db2.gz JCRUTAQQEYZYDH-HNNXBMFYSA-N 0 1 294.395 3.778 20 0 CHADMN CC[C@@H](OCCNCc1occc1C)c1ccccc1 ZINC000651908681 1120774468 /nfs/dbraw/zinc/77/44/68/1120774468.db2.gz KYWPCRKXSRZABH-MRXNPFEDSA-N 0 1 273.376 3.846 20 0 CHADMN C/C=C\C[C@@H]1CCCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000629873734 1128939634 /nfs/dbraw/zinc/93/96/34/1128939634.db2.gz SXSVCPRJDIQSPJ-VQTKUKTRSA-N 0 1 297.402 3.690 20 0 CHADMN CCc1noc([C@@H](C)N2CC[C@@H](C3CCCCC3)C2)n1 ZINC000661582897 1120783508 /nfs/dbraw/zinc/78/35/08/1120783508.db2.gz GWYQMFPTMSFAFV-TZMCWYRMSA-N 0 1 277.412 3.595 20 0 CHADMN CC[C@H](NCc1cnn(C(C)C)c1)c1ccccc1F ZINC000651932114 1120784175 /nfs/dbraw/zinc/78/41/75/1120784175.db2.gz LOLHWHWEZWIVFZ-INIZCTEOSA-N 0 1 275.371 3.844 20 0 CHADMN C/C=C\C[C@H]1CCCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000629873732 1128940206 /nfs/dbraw/zinc/94/02/06/1128940206.db2.gz SXSVCPRJDIQSPJ-NQHOJNORSA-N 0 1 297.402 3.690 20 0 CHADMN CCN(Cc1ncc(-c2cccc(Cl)c2)o1)C1CC1 ZINC000046058999 1120785566 /nfs/dbraw/zinc/78/55/66/1120785566.db2.gz JIGAOEAPKDDUAU-UHFFFAOYSA-N 0 1 276.767 3.979 20 0 CHADMN CCN(Cc1nc(-c2ccccc2C)no1)CC(C)C ZINC000046064362 1120786085 /nfs/dbraw/zinc/78/60/85/1120786085.db2.gz WCCDLBSFSMQFOK-UHFFFAOYSA-N 0 1 273.380 3.523 20 0 CHADMN CCOC(=O)CCCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595677209 1120787134 /nfs/dbraw/zinc/78/71/34/1120787134.db2.gz SYFQPVWYNFNHRP-MRXNPFEDSA-N 0 1 291.391 3.540 20 0 CHADMN CN(CCCCF)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661645679 1120789677 /nfs/dbraw/zinc/78/96/77/1120789677.db2.gz YIFRMHMSDIQHFL-LBPRGKRZSA-N 0 1 294.197 3.708 20 0 CHADMN C/C=C\C[C@@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000629876304 1128940676 /nfs/dbraw/zinc/94/06/76/1128940676.db2.gz GZBHCKPMWUXKBY-ZZKXABKFSA-N 0 1 293.794 3.864 20 0 CHADMN FCC[C@@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000661694708 1120795782 /nfs/dbraw/zinc/79/57/82/1120795782.db2.gz HSSXGGMRNSTHHA-NSHDSACASA-N 0 1 257.299 3.536 20 0 CHADMN FCC[C@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000661694707 1120796562 /nfs/dbraw/zinc/79/65/62/1120796562.db2.gz HSSXGGMRNSTHHA-LLVKDONJSA-N 0 1 257.299 3.536 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cncc(F)c2)c2c(n1)CCCC2 ZINC000893490578 1120796984 /nfs/dbraw/zinc/79/69/84/1120796984.db2.gz PONNCCNINOFYTG-ZDUSSCGKSA-N 0 1 299.393 3.654 20 0 CHADMN O=C(Nc1ccc(Cl)cc1)c1cc(F)cc2[nH]cnc21 ZINC000048244302 1120805538 /nfs/dbraw/zinc/80/55/38/1120805538.db2.gz GWDXUFXTBRBLTB-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN COc1cc(Cl)ncc1CN1CCC[C@H]2CCCC[C@H]21 ZINC001141341440 1120807857 /nfs/dbraw/zinc/80/78/57/1120807857.db2.gz CBENFAVMFOXZPQ-TZMCWYRMSA-N 0 1 294.826 3.898 20 0 CHADMN Fc1ccc(F)c(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000661877820 1120831631 /nfs/dbraw/zinc/83/16/31/1120831631.db2.gz WGHPDYJXBDFBSA-DYVFJYSZSA-N 0 1 295.373 3.746 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cc3nccn3C3CC3)C2)cc1 ZINC000893532664 1120835731 /nfs/dbraw/zinc/83/57/31/1120835731.db2.gz VICHUGSNZVRJFU-MRXNPFEDSA-N 0 1 281.403 3.516 20 0 CHADMN CCCC1=NN(c2cc(C(F)(F)F)ccn2)C(=O)[C@@H]1CC ZINC000634608809 1128943648 /nfs/dbraw/zinc/94/36/48/1128943648.db2.gz NBUKUEIJRFHYNR-SNVBAGLBSA-N 0 1 299.296 3.629 20 0 CHADMN CC(C)Cc1ccc(CN(C)[C@@H](C)c2ccncc2)cn1 ZINC000893539696 1120849439 /nfs/dbraw/zinc/84/94/39/1120849439.db2.gz LZYIVVILLBKBBJ-HNNXBMFYSA-N 0 1 283.419 3.868 20 0 CHADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000652390709 1120851733 /nfs/dbraw/zinc/85/17/33/1120851733.db2.gz AVZOLGABZXYXLE-WMZOPIPTSA-N 0 1 295.382 3.610 20 0 CHADMN Cc1cc(C[N@@H+](C2CC2)C2CCCCC2)oc1C(=O)[O-] ZINC000652401170 1120855385 /nfs/dbraw/zinc/85/53/85/1120855385.db2.gz OWXWHWYVJPEDCR-UHFFFAOYSA-N 0 1 277.364 3.583 20 0 CHADMN C[C@H](c1cccnc1)N(C)Cc1ccc2c(c1)CCCO2 ZINC000893541840 1120857829 /nfs/dbraw/zinc/85/78/29/1120857829.db2.gz YZFJBPDWTHRBOZ-CQSZACIVSA-N 0 1 282.387 3.600 20 0 CHADMN CC[C@@H]1c2ccccc2CC[N@@H+]1CCCCCC(=O)[O-] ZINC000652414573 1120858826 /nfs/dbraw/zinc/85/88/26/1120858826.db2.gz HGDVNMBYHWMFQH-MRXNPFEDSA-N 0 1 275.392 3.641 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CCC[C@@H](C2CCC2)C1 ZINC000662042081 1120863653 /nfs/dbraw/zinc/86/36/53/1120863653.db2.gz AXRNTTFGJSVBFW-SMDDNHRTSA-N 0 1 275.396 3.520 20 0 CHADMN Cc1ccc(F)c(CN2CCC(c3ccon3)CC2)c1 ZINC000662048985 1120864037 /nfs/dbraw/zinc/86/40/37/1120864037.db2.gz NGLIDNOPBTVQIK-UHFFFAOYSA-N 0 1 274.339 3.502 20 0 CHADMN c1cc(C2CCN(Cc3cnc4ccccc4c3)CC2)no1 ZINC000662047860 1120864242 /nfs/dbraw/zinc/86/42/42/1120864242.db2.gz JFOYFFIVWZAPFD-UHFFFAOYSA-N 0 1 293.370 3.602 20 0 CHADMN Cc1cc(C)cc([C@@H]2CC[N@H+]([C@H](CC(C)C)C(=O)[O-])C2)c1 ZINC000652443669 1120864786 /nfs/dbraw/zinc/86/47/86/1120864786.db2.gz QGOCQXWQXUNNOW-NVXWUHKLSA-N 0 1 289.419 3.592 20 0 CHADMN CCC(CC)[C@@H](NCc1cnccn1)c1ccccc1 ZINC000054766271 1120870086 /nfs/dbraw/zinc/87/00/86/1120870086.db2.gz LIJYBFPSEHBXIF-QGZVFWFLSA-N 0 1 269.392 3.744 20 0 CHADMN CSc1ccccc1C[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000652482119 1120870658 /nfs/dbraw/zinc/87/06/58/1120870658.db2.gz NZEFMPYPAOXYGG-UHFFFAOYSA-N 0 1 293.432 3.628 20 0 CHADMN Cc1ccc(-c2ccc([C@@H]3COCCN3)cc2)c(F)c1F ZINC000630054609 1128946312 /nfs/dbraw/zinc/94/63/12/1128946312.db2.gz ZXKWXXKRIQTUDG-HNNXBMFYSA-N 0 1 289.325 3.601 20 0 CHADMN C[C@H](c1cccc2ccccc21)N1CCc2nccnc2C1 ZINC000662126262 1120880670 /nfs/dbraw/zinc/88/06/70/1120880670.db2.gz XHHAXUFJYBAGGK-CQSZACIVSA-N 0 1 289.382 3.749 20 0 CHADMN Cc1cc(Nc2ccc(C)c(O)c2)c2ccccc2n1 ZINC001211688121 1120881024 /nfs/dbraw/zinc/88/10/24/1120881024.db2.gz CQEAUNDOOBVZNA-UHFFFAOYSA-N 0 1 264.328 3.723 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Br)cn1 ZINC000662129631 1120881943 /nfs/dbraw/zinc/88/19/43/1120881943.db2.gz IOJHMDUBBWHHOJ-FTNCPSPGSA-N 0 1 295.224 3.607 20 0 CHADMN CC(C)c1noc([C@@H](C)N2[C@@H]3CC[C@H]2CC(C)C3)n1 ZINC000662134107 1120882768 /nfs/dbraw/zinc/88/27/68/1120882768.db2.gz UDVLDHHVKJPJFF-HYWTVENDSA-N 0 1 263.385 3.517 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC000252593747 1120884336 /nfs/dbraw/zinc/88/43/36/1120884336.db2.gz GAVXANOXXAZUTA-IOASZLSFSA-N 0 1 283.371 3.696 20 0 CHADMN CCCCC[C@H]1CCCCN1Cc1cc(C(C)=O)no1 ZINC000662153130 1120887398 /nfs/dbraw/zinc/88/73/98/1120887398.db2.gz AGZIEQIUUXMOJP-AWEZNQCLSA-N 0 1 278.396 3.812 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N(CCC1CC1)CC1CC1 ZINC000662180007 1120891489 /nfs/dbraw/zinc/89/14/89/1120891489.db2.gz WWSCCVDRLLJBHG-LLVKDONJSA-N 0 1 275.396 3.520 20 0 CHADMN CC(C)c1noc([C@@H](C)N(C)C[C@H]2CCc3ccccc32)n1 ZINC000662199363 1120896495 /nfs/dbraw/zinc/89/64/95/1120896495.db2.gz ONCFHPXEOBJYKH-UKRRQHHQSA-N 0 1 299.418 3.916 20 0 CHADMN CN(Cc1noc2c1CCCC2)C[C@H]1CCc2ccccc21 ZINC000662197197 1120896642 /nfs/dbraw/zinc/89/66/42/1120896642.db2.gz ADVQLIUEYYPOAW-OAHLLOKOSA-N 0 1 296.414 3.715 20 0 CHADMN Cc1noc([C@@H](C)N2CCC[C@@H](C3CCCCC3)C2)n1 ZINC000662201578 1120897400 /nfs/dbraw/zinc/89/74/00/1120897400.db2.gz NHBREHQFELWWSX-IUODEOHRSA-N 0 1 277.412 3.731 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@H](C3CCCCC3)C2)o1 ZINC000662201238 1120898649 /nfs/dbraw/zinc/89/86/49/1120898649.db2.gz KWKYXXKOVLDWTL-WFASDCNBSA-N 0 1 277.412 3.731 20 0 CHADMN Cc1cc(CN2CCC[C@@H](C3CCCCC3)C2)no1 ZINC000662201193 1120898714 /nfs/dbraw/zinc/89/87/14/1120898714.db2.gz KGOOBPTVVJBPRB-OAHLLOKOSA-N 0 1 262.397 3.775 20 0 CHADMN CC(C)C[C@H](N)c1noc(C2[C@@H]3CCCCCC[C@@H]23)n1 ZINC000663250348 1120900120 /nfs/dbraw/zinc/90/01/20/1120900120.db2.gz DPEKQGQBQZXRDI-UPJWGTAASA-N 0 1 277.412 3.799 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cccc(C(C)C)c2)n1 ZINC000663251368 1120900459 /nfs/dbraw/zinc/90/04/59/1120900459.db2.gz PTMDJGKVJMHCDJ-AWEZNQCLSA-N 0 1 273.380 3.906 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@]2(c3ccccc3)CC2(C)C)n1 ZINC000663251971 1120900538 /nfs/dbraw/zinc/90/05/38/1120900538.db2.gz ZYYIPHPZTVDJTK-KDOFPFPSSA-N 0 1 299.418 3.832 20 0 CHADMN CC(C)c1cccc(C[NH2+][C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000663259935 1120902402 /nfs/dbraw/zinc/90/24/02/1120902402.db2.gz JYQDFFUXFYLENV-OAHLLOKOSA-N 0 1 289.400 3.787 20 0 CHADMN COC[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000093337602 1128948287 /nfs/dbraw/zinc/94/82/87/1128948287.db2.gz OVQANLSFNUUHCM-NSHDSACASA-N 0 1 288.218 3.852 20 0 CHADMN CCc1cccc(F)c1CNc1ccc2c[nH]nc2c1 ZINC000630069718 1128948445 /nfs/dbraw/zinc/94/84/45/1128948445.db2.gz UKNOEVZFSOCJGD-UHFFFAOYSA-N 0 1 269.323 3.877 20 0 CHADMN CCN(CC)CC(=O)Nc1cccc(-c2ccccc2)c1 ZINC000256168488 1120915962 /nfs/dbraw/zinc/91/59/62/1120915962.db2.gz MWKHZGYMZSOQKA-UHFFFAOYSA-N 0 1 282.387 3.634 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])cc1F)C1CCCCC1 ZINC000062756575 1120925142 /nfs/dbraw/zinc/92/51/42/1120925142.db2.gz XWMYWUCKVPGVQN-UHFFFAOYSA-N 0 1 279.355 3.679 20 0 CHADMN Cc1ncsc1CN[C@@]1(c2ccccc2)CC1(C)C ZINC000662340482 1120928519 /nfs/dbraw/zinc/92/85/19/1120928519.db2.gz KXRSFJOWAXXXLV-MRXNPFEDSA-N 0 1 272.417 3.867 20 0 CHADMN COc1ccc(CN[C@@]2(c3ccccc3)CC2(C)C)cn1 ZINC000662342359 1120928712 /nfs/dbraw/zinc/92/87/12/1120928712.db2.gz AOTUOXHMQGEQKD-GOSISDBHSA-N 0 1 282.387 3.505 20 0 CHADMN CCc1noc(C)c1CNCc1cccc(C(C)C)c1 ZINC000663326886 1120931481 /nfs/dbraw/zinc/93/14/81/1120931481.db2.gz WZFMEVLBZOIPIP-UHFFFAOYSA-N 0 1 272.392 3.959 20 0 CHADMN Cc1ccc(OC(F)F)c(CN2CC3CC2(C)C3)c1 ZINC000662385603 1120932557 /nfs/dbraw/zinc/93/25/57/1120932557.db2.gz XVXHXOXAJLVRPI-UHFFFAOYSA-N 0 1 267.319 3.581 20 0 CHADMN CC(C)CN(CC(C)(C)C)C(=O)c1cccc2c[nH]nc21 ZINC000162347100 1120939816 /nfs/dbraw/zinc/93/98/16/1120939816.db2.gz XRAKYTYOGFLDTN-UHFFFAOYSA-N 0 1 287.407 3.707 20 0 CHADMN Cc1cccc(CNCc2cnccc2C(F)(F)F)c1 ZINC000663352482 1120944498 /nfs/dbraw/zinc/94/44/98/1120944498.db2.gz PQXUNKDUDPSHDV-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN Cc1noc(C)c1CNCc1c(C)oc2ccccc21 ZINC000121293152 1120945596 /nfs/dbraw/zinc/94/55/96/1120945596.db2.gz CGESWRGDPYSQED-UHFFFAOYSA-N 0 1 270.332 3.636 20 0 CHADMN CCCCN(Cc1cnnn1C)[C@@H](CC)c1ccccc1 ZINC000093363367 1128951697 /nfs/dbraw/zinc/95/16/97/1128951697.db2.gz KPIVNQJUQNRUQW-KRWDZBQOSA-N 0 1 286.423 3.569 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cncc(Cl)c2)cc1 ZINC000621243146 1120950930 /nfs/dbraw/zinc/95/09/30/1120950930.db2.gz MPGMMZOINRHRCQ-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN(C(C)C)C1CC1 ZINC000066829159 1120951805 /nfs/dbraw/zinc/95/18/05/1120951805.db2.gz BHIXCEAZBSCQNG-UHFFFAOYSA-N 0 1 275.371 3.568 20 0 CHADMN C#CCN(C)[C@H]1CCSc2ccc(Br)cc21 ZINC000067117407 1120952830 /nfs/dbraw/zinc/95/28/30/1120952830.db2.gz PPAGHNJVIPKCMO-LBPRGKRZSA-N 0 1 296.233 3.551 20 0 CHADMN CC(C)CSCCCOc1ccccc1-c1nnc[nH]1 ZINC000165408805 1120960247 /nfs/dbraw/zinc/96/02/47/1120960247.db2.gz QSIJDEQNQIIUAT-UHFFFAOYSA-N 0 1 291.420 3.630 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1cnccc1C(F)(F)F ZINC000663469218 1120983135 /nfs/dbraw/zinc/98/31/35/1120983135.db2.gz DAHPIRZGMUCGJY-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN Oc1cc(Cl)ccc1-c1nc(C2CCSCC2)no1 ZINC000402289069 1120993636 /nfs/dbraw/zinc/99/36/36/1120993636.db2.gz MNOQFGNLJDAHKN-UHFFFAOYSA-N 0 1 296.779 3.706 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@H](c1ccccc1)[C@H](C)O ZINC000658359127 1120996033 /nfs/dbraw/zinc/99/60/33/1120996033.db2.gz AHAWHIZSHTYIAC-DOXZYTNZSA-N 0 1 299.414 3.776 20 0 CHADMN Cn1ncc(CNCc2ccc(C(F)F)cc2)c1C1CC1 ZINC000893623451 1121001929 /nfs/dbraw/zinc/00/19/29/1121001929.db2.gz YPMXJEMTXPKDCB-UHFFFAOYSA-N 0 1 291.345 3.525 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](C[C@@H](C)C2CCCCC2)C1 ZINC000313510618 1121003446 /nfs/dbraw/zinc/00/34/46/1121003446.db2.gz KARUDQUHDOUMLW-PBHICJAKSA-N 0 1 281.440 3.636 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2ccc(CC)cn2)cc1 ZINC000663535427 1121006454 /nfs/dbraw/zinc/00/64/54/1121006454.db2.gz SCWBFYJNMGLVAC-CQSZACIVSA-N 0 1 284.403 3.894 20 0 CHADMN CC(C)=CCSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000005869114 1121015745 /nfs/dbraw/zinc/01/57/45/1121015745.db2.gz QSZVDEICMYEVSF-UHFFFAOYSA-N 0 1 259.378 3.838 20 0 CHADMN Cc1cnc(NC(C)(C)Cc2cccnc2)c(C)c1 ZINC001162239130 1121034935 /nfs/dbraw/zinc/03/49/35/1121034935.db2.gz NZWSYLRCGUNODJ-UHFFFAOYSA-N 0 1 255.365 3.527 20 0 CHADMN Cc1cccc(OCCN2CC[C@H]2c2cccc(F)c2)c1 ZINC000674013603 1121039293 /nfs/dbraw/zinc/03/92/93/1121039293.db2.gz PRCPTZYFLGBDNA-SFHVURJKSA-N 0 1 285.362 3.960 20 0 CHADMN COc1ccc(F)cc1CN1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625645768 1121044996 /nfs/dbraw/zinc/04/49/96/1121044996.db2.gz HZQSKNYFDOSCIN-PHIMTYICSA-N 0 1 287.325 3.557 20 0 CHADMN COc1ccc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)cc1F ZINC000625651067 1121046437 /nfs/dbraw/zinc/04/64/37/1121046437.db2.gz YXJNQSMESKZIKT-QWRGUYRKSA-N 0 1 287.325 3.557 20 0 CHADMN CCCc1nc(C)c(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)o1 ZINC000625653138 1121048101 /nfs/dbraw/zinc/04/81/01/1121048101.db2.gz ODGOMCGCIGAWNA-PHIMTYICSA-N 0 1 286.366 3.659 20 0 CHADMN CCCCO[C@@H]1C[C@H](NCc2csc(C)n2)C1(C)C ZINC000344002691 1121049753 /nfs/dbraw/zinc/04/97/53/1121049753.db2.gz BEQBQCJIJBWUTA-UONOGXRCSA-N 0 1 282.453 3.525 20 0 CHADMN O=C([O-])c1ccc(Nc2ccc3c[nH+]ccc3c2)s1 ZINC001174808141 1121054197 /nfs/dbraw/zinc/05/41/97/1121054197.db2.gz RPWYEXFGMFIPTN-UHFFFAOYSA-N 0 1 270.313 3.738 20 0 CHADMN CCc1nc(CN2C[C@H](C)CC(C)(C)C2)cs1 ZINC000344019765 1121056157 /nfs/dbraw/zinc/05/61/57/1121056157.db2.gz GAODILDYYCFIQT-LLVKDONJSA-N 0 1 252.427 3.574 20 0 CHADMN Cc1cnc(CSc2n[nH]c(CCC3CCCC3)n2)o1 ZINC000134209085 1121064571 /nfs/dbraw/zinc/06/45/71/1121064571.db2.gz TYDCAPXBSDTCJP-UHFFFAOYSA-N 0 1 292.408 3.516 20 0 CHADMN Cc1cnc(CSc2nc(CCC3CCCC3)n[nH]2)o1 ZINC000134209085 1121064579 /nfs/dbraw/zinc/06/45/79/1121064579.db2.gz TYDCAPXBSDTCJP-UHFFFAOYSA-N 0 1 292.408 3.516 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)C[C@H]1CC=CCC1 ZINC000344050619 1121067521 /nfs/dbraw/zinc/06/75/21/1121067521.db2.gz HRPQUSLRINQISR-KGLIPLIRSA-N 0 1 297.402 3.685 20 0 CHADMN CCN1C[C@@H](C)N(C(=O)CCCCC(C)(C)C)C[C@H]1C ZINC001127684117 1128960672 /nfs/dbraw/zinc/96/06/72/1128960672.db2.gz QGPCCOUJQBMPHT-HUUCEWRRSA-N 0 1 282.472 3.534 20 0 CHADMN CC[C@H](N[C@H]1CCCc2sccc21)c1ccn(C)n1 ZINC000344097624 1121079338 /nfs/dbraw/zinc/07/93/38/1121079338.db2.gz CFJHZEQOOUSKFZ-STQMWFEESA-N 0 1 275.421 3.600 20 0 CHADMN c1c2ccccc2sc1CN1CCOCC12CCC2 ZINC000093509963 1128961464 /nfs/dbraw/zinc/96/14/64/1128961464.db2.gz LOVMEVUPHDMQFG-UHFFFAOYSA-N 0 1 273.401 3.656 20 0 CHADMN C[C@@H](O)[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000658359671 1121091990 /nfs/dbraw/zinc/09/19/90/1121091990.db2.gz DYJQXSVDFHSNFW-XWCIJXRUSA-N 0 1 291.341 3.738 20 0 CHADMN COCc1cccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)c1 ZINC000038010433 1121094379 /nfs/dbraw/zinc/09/43/79/1121094379.db2.gz QWUNANCOHZRJMR-CXAGYDPISA-N 0 1 285.387 3.839 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1ccc(Cl)nc1 ZINC000773429538 1121101017 /nfs/dbraw/zinc/10/10/17/1121101017.db2.gz UVYDNVMVGOSVMF-LLVKDONJSA-N 0 1 275.783 3.543 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3cnccc3c2)C[C@@H](CC)O1 ZINC000643294930 1121106809 /nfs/dbraw/zinc/10/68/09/1121106809.db2.gz SVEAFRXGMZWRTN-QZTJIDSGSA-N 0 1 284.403 3.624 20 0 CHADMN CC(C)CCO[C@@H]1CCN(CCc2c(F)cccc2F)C1 ZINC001174956776 1121110740 /nfs/dbraw/zinc/11/07/40/1121110740.db2.gz MIMFYHCQWLQXQD-CQSZACIVSA-N 0 1 297.389 3.644 20 0 CHADMN C[C@@H](c1ccccc1F)N1CCCc2occc2C1 ZINC000344200908 1121119298 /nfs/dbraw/zinc/11/92/98/1121119298.db2.gz QHDZKDPVVVUJPZ-LBPRGKRZSA-N 0 1 259.324 3.928 20 0 CHADMN CCCCc1noc(CN2CCCC[C@H]2[C@@H](C)CC)n1 ZINC000606434065 1121120499 /nfs/dbraw/zinc/12/04/99/1121120499.db2.gz JGXRUDVETWTFAL-KBPBESRZSA-N 0 1 279.428 3.813 20 0 CHADMN CCOc1ccc(CN(C)[C@H](C)c2ccc(C)cc2)nc1 ZINC000674388064 1121126105 /nfs/dbraw/zinc/12/61/05/1121126105.db2.gz FEYNDQIQVJXOIC-OAHLLOKOSA-N 0 1 284.403 3.982 20 0 CHADMN CCOc1cc(F)c(Nc2nnc(C(C)(C)C)o2)cc1F ZINC001175057608 1121143971 /nfs/dbraw/zinc/14/39/71/1121143971.db2.gz OBACYZGPDVSAEX-UHFFFAOYSA-N 0 1 297.305 3.788 20 0 CHADMN CCc1ccccc1CCN1Cc2ccc(O)cc2C1 ZINC000625728124 1121146895 /nfs/dbraw/zinc/14/68/95/1121146895.db2.gz VVNQATLSRSBZKS-UHFFFAOYSA-N 0 1 267.372 3.513 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CCCCC[C@H]1C ZINC000512185410 1121150783 /nfs/dbraw/zinc/15/07/83/1121150783.db2.gz XZGBUEHDEPBISJ-CYBMUJFWSA-N 0 1 289.398 3.960 20 0 CHADMN COc1nccc(CNCc2cccc(C(C)C)c2)c1F ZINC000893676635 1121161305 /nfs/dbraw/zinc/16/13/05/1121161305.db2.gz SPFDPTSFTLGKCW-UHFFFAOYSA-N 0 1 288.366 3.643 20 0 CHADMN CC[N@H+](Cc1ccccc1Br)CC1CC1 ZINC000069238967 1121161515 /nfs/dbraw/zinc/16/15/15/1121161515.db2.gz ALYFWPRSHYGQHF-UHFFFAOYSA-N 0 1 268.198 3.681 20 0 CHADMN C/C=C/C[C@@H]1CCCN(Cc2cncc(Cl)c2)C1 ZINC001175053028 1121162362 /nfs/dbraw/zinc/16/23/62/1121162362.db2.gz LCXYJPQZAZPGPM-YWVDXFKGSA-N 0 1 264.800 3.913 20 0 CHADMN C/C=C/C[C@@H]1CCCN([C@H](C(=O)OC)c2ccccc2)C1 ZINC001175056326 1121163411 /nfs/dbraw/zinc/16/34/11/1121163411.db2.gz ZGDRIXAWOPQYEU-JUPLKNRCSA-N 0 1 287.403 3.579 20 0 CHADMN COc1cc(C)c(-n2c(N)nc3ccc(C)cc32)cc1C ZINC001175113070 1121169902 /nfs/dbraw/zinc/16/99/02/1121169902.db2.gz VQATUXNXRHVRFS-UHFFFAOYSA-N 0 1 281.359 3.542 20 0 CHADMN Cc1cc(C)c(CN2CCO[C@@H](c3ccco3)C2)c(C)c1 ZINC000674695667 1121170035 /nfs/dbraw/zinc/17/00/35/1121170035.db2.gz RNTHPALTLQTFAK-GOSISDBHSA-N 0 1 285.387 3.778 20 0 CHADMN c1sc(CN2CC[C@H]3C[C@H]3C2)nc1-c1ccccc1 ZINC000661968693 1121173679 /nfs/dbraw/zinc/17/36/79/1121173679.db2.gz ZWHFSJPGTVVDNU-KBPBESRZSA-N 0 1 270.401 3.652 20 0 CHADMN CCCn1c(C)cc(C(=O)CN2CCC[C@@H]2C2CC2)c1C ZINC000674752029 1121175379 /nfs/dbraw/zinc/17/53/79/1121175379.db2.gz YHJUFFNACCQUJT-QGZVFWFLSA-N 0 1 288.435 3.572 20 0 CHADMN CN(Cc1cn[nH]c1)Cc1ccc(-c2ccccc2)cc1 ZINC000674753254 1121176057 /nfs/dbraw/zinc/17/60/57/1121176057.db2.gz FNPRIALORUQNDB-UHFFFAOYSA-N 0 1 277.371 3.709 20 0 CHADMN CC(C)N(C)CC(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000674753607 1121176091 /nfs/dbraw/zinc/17/60/91/1121176091.db2.gz CMAQGNJBTQQBAW-UHFFFAOYSA-N 0 1 296.370 3.865 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc3ncsc3c2)o1 ZINC000893690396 1121178023 /nfs/dbraw/zinc/17/80/23/1121178023.db2.gz QAADNWLJUHHUET-SNVBAGLBSA-N 0 1 288.372 3.749 20 0 CHADMN C[C@H]1CCCCN1Cc1cc(-c2ccccc2)on1 ZINC000674766956 1121179294 /nfs/dbraw/zinc/17/92/94/1121179294.db2.gz WWQNIDZXQSGZSS-ZDUSSCGKSA-N 0 1 256.349 3.716 20 0 CHADMN CCOc1ccccc1-c1cc([C@H](N)C(C)(C)C)on1 ZINC000702229954 1121186764 /nfs/dbraw/zinc/18/67/64/1121186764.db2.gz XFGBGNIHFZGFDB-HNNXBMFYSA-N 0 1 274.364 3.786 20 0 CHADMN CCOc1ccc(CNC2(c3ccccc3)CCC2)nc1 ZINC000674861887 1121188522 /nfs/dbraw/zinc/18/85/22/1121188522.db2.gz OHRODKJMMQDEQN-UHFFFAOYSA-N 0 1 282.387 3.649 20 0 CHADMN C[C@@H](NCc1cc(F)c(F)c(F)c1)c1cccc(O)c1 ZINC000062707649 1121190933 /nfs/dbraw/zinc/19/09/33/1121190933.db2.gz OAWSSNLUAZIXLN-SECBINFHSA-N 0 1 281.277 3.660 20 0 CHADMN CCCCCNC(C)(C)c1cc(C(F)(F)F)on1 ZINC000429241061 1121191923 /nfs/dbraw/zinc/19/19/23/1121191923.db2.gz ZDRYYNDESYSPEH-UHFFFAOYSA-N 0 1 264.291 3.708 20 0 CHADMN CCn1c(C)cc(C(=O)Nc2nc3ccc(C)cc3[nH]2)c1C ZINC000344518402 1121193700 /nfs/dbraw/zinc/19/37/00/1121193700.db2.gz ITSVMFZGRGJXOA-UHFFFAOYSA-N 0 1 296.374 3.562 20 0 CHADMN Cn1cncc1Nc1cc(F)cc(OCc2ccccc2)c1 ZINC001175136530 1121198058 /nfs/dbraw/zinc/19/80/58/1121198058.db2.gz FUSFTCGOBMGMGD-UHFFFAOYSA-N 0 1 297.333 3.882 20 0 CHADMN Fc1ccc(CNCc2ccc3cnccc3c2)c(F)c1 ZINC000236157350 1121207051 /nfs/dbraw/zinc/20/70/51/1121207051.db2.gz HBSXVADBUZMLKL-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN CC(C)CCN(c1ccc(N2CCOCC2)cc1)C(C)C ZINC001167877202 1121209624 /nfs/dbraw/zinc/20/96/24/1121209624.db2.gz ZEVZGWICZAULCD-UHFFFAOYSA-N 0 1 290.451 3.784 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000675026302 1121210328 /nfs/dbraw/zinc/21/03/28/1121210328.db2.gz ALLJEIGLNQLBMM-GFCCVEGCSA-N 0 1 295.361 3.862 20 0 CHADMN Cc1ccnc(NCCc2ccc(Br)s2)c1 ZINC000230146362 1121217203 /nfs/dbraw/zinc/21/72/03/1121217203.db2.gz ZAVNHXVZJVFULV-UHFFFAOYSA-N 0 1 297.221 3.869 20 0 CHADMN CCCCCn1cc(CN[C@@H](C)c2cccnc2)c(C)n1 ZINC000348950691 1121220483 /nfs/dbraw/zinc/22/04/83/1121220483.db2.gz SHWOVSMMNINMGF-AWEZNQCLSA-N 0 1 286.423 3.628 20 0 CHADMN CC(C)[C@@H](Cc1ccccc1)C(=O)NOc1ccccc1 ZINC000773474697 1121225985 /nfs/dbraw/zinc/22/59/85/1121225985.db2.gz WDRYHASVARTRAB-QGZVFWFLSA-N 0 1 283.371 3.612 20 0 CHADMN Clc1ccc(C[N@H+]2CCC[C@H](C3CCC3)C2)cn1 ZINC000703152691 1121232857 /nfs/dbraw/zinc/23/28/57/1121232857.db2.gz YEJJLTWFVSETCF-AWEZNQCLSA-N 0 1 264.800 3.747 20 0 CHADMN Cc1cscc1CNCc1cnc(C)n1-c1ccccc1 ZINC000094877588 1121237495 /nfs/dbraw/zinc/23/74/95/1121237495.db2.gz DHXZYYFJKFRKCV-UHFFFAOYSA-N 0 1 297.427 3.840 20 0 CHADMN Cc1nc2ccccn2c1CN1CCCc2sccc2C1 ZINC000675247859 1121241648 /nfs/dbraw/zinc/24/16/48/1121241648.db2.gz KXEJAFTXWPFMRH-UHFFFAOYSA-N 0 1 297.427 3.653 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000094904690 1121243483 /nfs/dbraw/zinc/24/34/83/1121243483.db2.gz OOACNWPYFCVZDC-KRWDZBQOSA-N 0 1 289.419 3.714 20 0 CHADMN CO[C@H](CN[C@H](C)c1coc2ccccc21)C(F)(F)F ZINC000925842807 1121247684 /nfs/dbraw/zinc/24/76/84/1121247684.db2.gz BDNRUVMTWQELTC-NOZJJQNGSA-N 0 1 287.281 3.661 20 0 CHADMN CO[C@@H](CN[C@H](C)c1coc2ccccc21)C(F)(F)F ZINC000925842808 1121247853 /nfs/dbraw/zinc/24/78/53/1121247853.db2.gz BDNRUVMTWQELTC-RNCFNFMXSA-N 0 1 287.281 3.661 20 0 CHADMN C[C@H]1SCCN(Cc2cc(-c3ccccc3)no2)[C@H]1C ZINC000112645075 1121255655 /nfs/dbraw/zinc/25/56/55/1121255655.db2.gz QUKIIUUCZADTMF-QWHCGFSZSA-N 0 1 288.416 3.667 20 0 CHADMN CC(C)(C)c1coc(CN[C@@H]2CC[C@@H]3CCC[C@H]23)n1 ZINC000724430712 1121261758 /nfs/dbraw/zinc/26/17/58/1121261758.db2.gz XSYMMZFHBQZTBJ-RWMBFGLXSA-N 0 1 262.397 3.640 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CC[C@@H]2c2ccccc2)no1 ZINC000658263044 1121264102 /nfs/dbraw/zinc/26/41/02/1121264102.db2.gz FYSMJOQDOGTRQG-NWANDNLSSA-N 0 1 256.349 3.580 20 0 CHADMN Cn1cncc1Nc1ccc(C(F)(F)F)c(Cl)c1 ZINC001175261331 1121266224 /nfs/dbraw/zinc/26/62/24/1121266224.db2.gz SPYTZUQYDBQCMC-UHFFFAOYSA-N 0 1 275.661 3.836 20 0 CHADMN CCc1nocc1CN1CCC[C@H]1/C=C\c1ccccc1 ZINC000512339636 1121275507 /nfs/dbraw/zinc/27/55/07/1121275507.db2.gz XZBXZHLPTGCLDA-MQNTZWLQSA-N 0 1 282.387 3.915 20 0 CHADMN OCc1ccc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)o1 ZINC000174243689 1121276385 /nfs/dbraw/zinc/27/63/85/1121276385.db2.gz BNXQZYCFPJFYLD-MRXNPFEDSA-N 0 1 291.778 3.666 20 0 CHADMN c1cc2c(o1)CCC[C@H]2N[C@@H]1CCCc2occc21 ZINC000123919145 1121279724 /nfs/dbraw/zinc/27/97/24/1121279724.db2.gz FFQZXRDXQJGGQD-ZIAGYGMSSA-N 0 1 257.333 3.917 20 0 CHADMN C[C@H]1C[C@@]1(NCc1ccncc1)c1ccc(Cl)cc1 ZINC000500463580 1121283044 /nfs/dbraw/zinc/28/30/44/1121283044.db2.gz QIFFJBVEHIJINF-LRDDRELGSA-N 0 1 272.779 3.760 20 0 CHADMN CN(Cc1cc2cccnc2[nH]1)Cc1ccc(Cl)cc1 ZINC001143220757 1121283705 /nfs/dbraw/zinc/28/37/05/1121283705.db2.gz RCCUYYKCVGYSKZ-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN O=C([O-])c1cccc(Nc2cccc3cc[nH+]cc32)c1 ZINC001175330842 1121286955 /nfs/dbraw/zinc/28/69/55/1121286955.db2.gz DZJMXUNZBYAMJZ-UHFFFAOYSA-N 0 1 264.284 3.677 20 0 CHADMN CC[C@H]1CCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000432729316 1121299437 /nfs/dbraw/zinc/29/94/37/1121299437.db2.gz QCOWZFGOPXDFBZ-VIFPVBQESA-N 0 1 263.328 3.999 20 0 CHADMN COc1cc(Nc2c(C)nc3ccc(F)cn32)ccc1F ZINC001175396292 1121290478 /nfs/dbraw/zinc/29/04/78/1121290478.db2.gz JPICSKJCXDYXOO-UHFFFAOYSA-N 0 1 289.285 3.673 20 0 CHADMN CCOC[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432717765 1121295113 /nfs/dbraw/zinc/29/51/13/1121295113.db2.gz FAEXIEZFAQLFLP-SNVBAGLBSA-N 0 1 293.354 3.625 20 0 CHADMN CCOC[C@@H]1CCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000432717765 1121295117 /nfs/dbraw/zinc/29/51/17/1121295117.db2.gz FAEXIEZFAQLFLP-SNVBAGLBSA-N 0 1 293.354 3.625 20 0 CHADMN CN(Cc1csc(Cl)c1Cl)C[C@H]1CCOC1 ZINC000432723603 1121297071 /nfs/dbraw/zinc/29/70/71/1121297071.db2.gz VEOSLRZHURNKHN-MRVPVSSYSA-N 0 1 280.220 3.523 20 0 CHADMN Cc1cccc2ncc(Nc3ccc4ncccc4c3)n21 ZINC001175375146 1121302463 /nfs/dbraw/zinc/30/24/63/1121302463.db2.gz AZWBZVZSUJOJAA-UHFFFAOYSA-N 0 1 274.327 3.935 20 0 CHADMN Cc1cccc([C@@H]2CCCN2C[C@@H]2CC2(Cl)Cl)n1 ZINC000766137325 1121307474 /nfs/dbraw/zinc/30/74/74/1121307474.db2.gz SFKHRJPJFSSTBP-AAEUAGOBSA-N 0 1 285.218 3.721 20 0 CHADMN CC(C)N(Cc1ccc(F)c(Cl)c1Cl)C[C@H](C)O ZINC000432745297 1121311848 /nfs/dbraw/zinc/31/18/48/1121311848.db2.gz SGEPEDXITVNGES-VIFPVBQESA-N 0 1 294.197 3.724 20 0 CHADMN Cc1cc(C)cc(CNCc2ccc(Cl)cn2)c1 ZINC000703879579 1121320607 /nfs/dbraw/zinc/32/06/07/1121320607.db2.gz RCKQUMMBBMJQTO-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN COc1ccccc1[C@H]1CN([C@H](C)CC(C)C)CCO1 ZINC001175426199 1121321428 /nfs/dbraw/zinc/32/14/28/1121321428.db2.gz GUANQYGHCSDSMR-RHSMWYFYSA-N 0 1 277.408 3.503 20 0 CHADMN CC(C)(C)C(=N)Nc1c2c(ccc1Br)OCO2 ZINC001162660336 1121328478 /nfs/dbraw/zinc/32/84/78/1121328478.db2.gz JDASGPIMIBRZFO-UHFFFAOYSA-N 0 1 299.168 3.613 20 0 CHADMN CCOc1cccc(CN[C@H]2CCc3ccc(C)cc32)n1 ZINC000675641022 1121330705 /nfs/dbraw/zinc/33/07/05/1121330705.db2.gz JBJOLXIVPVETKD-KRWDZBQOSA-N 0 1 282.387 3.566 20 0 CHADMN CC[C@H](NCc1ccc(COC)o1)c1ccc(OC)cc1 ZINC000125197702 1121344028 /nfs/dbraw/zinc/34/40/28/1121344028.db2.gz WWHINUAKOQCQBK-KRWDZBQOSA-N 0 1 289.375 3.676 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432789606 1121351933 /nfs/dbraw/zinc/35/19/33/1121351933.db2.gz TZMHRUWBRCZFOI-OLZOCXBDSA-N 0 1 278.444 3.503 20 0 CHADMN Cc1occc1CN[C@H]1CC(C)(C)Cc2occc21 ZINC000675780027 1121356672 /nfs/dbraw/zinc/35/66/72/1121356672.db2.gz USRITLUPVKOCCR-AWEZNQCLSA-N 0 1 259.349 3.984 20 0 CHADMN CC[C@H](NCc1ccc(O)cc1)c1ccc(F)cc1F ZINC000675801739 1121363136 /nfs/dbraw/zinc/36/31/36/1121363136.db2.gz CBIBCVMYGYTSAV-INIZCTEOSA-N 0 1 277.314 3.911 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1nc2c(s1)C(=O)CCC2 ZINC001175524353 1121363293 /nfs/dbraw/zinc/36/32/93/1121363293.db2.gz BPPIQEUQLBGUOQ-UHFFFAOYSA-N 0 1 298.371 3.590 20 0 CHADMN Cc1cnn(C2CCC2)c1Nc1c2cn[nH]c2ccc1C ZINC001175524481 1121363403 /nfs/dbraw/zinc/36/34/03/1121363403.db2.gz UGRJXADMNZSREY-UHFFFAOYSA-N 0 1 281.363 3.845 20 0 CHADMN Cc1cc(Nc2c3cn[nH]c3ccc2C)n(C2CCC2)n1 ZINC001175523791 1121363436 /nfs/dbraw/zinc/36/34/36/1121363436.db2.gz NAAGANLODDWVHA-UHFFFAOYSA-N 0 1 281.363 3.845 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1c(Cl)ncc(C)c1N ZINC001175523744 1121364149 /nfs/dbraw/zinc/36/41/49/1121364149.db2.gz LYDBIRZXWKPBIO-UHFFFAOYSA-N 0 1 287.754 3.554 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2c(c1)ncn2C ZINC001175525868 1121364482 /nfs/dbraw/zinc/36/44/82/1121364482.db2.gz IUCUOOYICXNVBZ-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@H](C)c1ccsc1 ZINC000675808186 1121365344 /nfs/dbraw/zinc/36/53/44/1121365344.db2.gz LPNDYTXTHFVBDI-GFCCVEGCSA-N 0 1 276.405 3.619 20 0 CHADMN FC(F)(F)c1ccc(-c2noc([C@H]3CCCCN3)n2)cc1 ZINC000070458761 1128980627 /nfs/dbraw/zinc/98/06/27/1128980627.db2.gz QMQDKEMBZJOQPF-LLVKDONJSA-N 0 1 297.280 3.570 20 0 CHADMN CCc1cccc(Nc2c3cn[nH]c3ccc2C)n1 ZINC001175524927 1121366798 /nfs/dbraw/zinc/36/67/98/1121366798.db2.gz XLQUIESZPWVQAK-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN COc1ccc(CN[C@H]2CCc3ccc(C(C)C)cc32)nc1 ZINC000893716852 1121367626 /nfs/dbraw/zinc/36/76/26/1121367626.db2.gz LGSTXGRCACLVJM-IBGZPJMESA-N 0 1 296.414 3.991 20 0 CHADMN CC(=O)c1ccc(Nc2c3cn[nH]c3ccc2C)cc1 ZINC001175525977 1121367930 /nfs/dbraw/zinc/36/79/30/1121367930.db2.gz LMDVRGDTONWPGW-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccnc(Cl)c1 ZINC001175526081 1121368031 /nfs/dbraw/zinc/36/80/31/1121368031.db2.gz UCQLNZXLTNQDFO-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(F)cc(F)c1 ZINC001175526062 1121368091 /nfs/dbraw/zinc/36/80/91/1121368091.db2.gz NOPCRLYENHFUQP-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1nc(C(C)(C)C)ns1 ZINC001175526017 1121369082 /nfs/dbraw/zinc/36/90/82/1121369082.db2.gz RFKVLMLRQSDEGK-UHFFFAOYSA-N 0 1 287.392 3.764 20 0 CHADMN Cc1cn2c(cccc2Nc2c3cn[nH]c3ccc2C)n1 ZINC001175526537 1121369740 /nfs/dbraw/zinc/36/97/40/1121369740.db2.gz YGHYHBFAMIXGKP-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN Cc1cc(O)cc(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175527460 1121370219 /nfs/dbraw/zinc/37/02/19/1121370219.db2.gz OMBNBCPVMDMZAC-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1scc(CNCc2cc(C#N)ccc2F)c1C ZINC000399839556 1121370339 /nfs/dbraw/zinc/37/03/39/1121370339.db2.gz SGSHRJSFPADFJD-UHFFFAOYSA-N 0 1 274.364 3.666 20 0 CHADMN CCC(CC)Oc1ccccc1NC1=CCCN(C)C1 ZINC001175582493 1121374070 /nfs/dbraw/zinc/37/40/70/1121374070.db2.gz FILXORNUWOVJLA-UHFFFAOYSA-N 0 1 274.408 3.885 20 0 CHADMN CCc1ccc(N[C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000675859141 1121374509 /nfs/dbraw/zinc/37/45/09/1121374509.db2.gz IWFZYQQJQLGZEE-INIZCTEOSA-N 0 1 278.359 3.569 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)o1 ZINC000675881701 1121379525 /nfs/dbraw/zinc/37/95/25/1121379525.db2.gz MRBCKUDUQFLOFM-WDEREUQCSA-N 0 1 299.374 3.836 20 0 CHADMN Cc1nc(C2(NCC3(C)CCC3)CCCCCC2)no1 ZINC000432822494 1121392226 /nfs/dbraw/zinc/39/22/26/1121392226.db2.gz FYYRPQBVUAUNMD-UHFFFAOYSA-N 0 1 277.412 3.707 20 0 CHADMN CN1CCC=C(Nc2ccc3ccc(Cl)cc3n2)C1 ZINC001175573210 1121394129 /nfs/dbraw/zinc/39/41/29/1121394129.db2.gz BMYVYBQVILFQQS-UHFFFAOYSA-N 0 1 273.767 3.520 20 0 CHADMN CN1CCC=C(Nc2cnc3cccc(Cl)c3c2)C1 ZINC001175576557 1121395045 /nfs/dbraw/zinc/39/50/45/1121395045.db2.gz JCEAJEKBOWLBSZ-UHFFFAOYSA-N 0 1 273.767 3.520 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000675975252 1121395061 /nfs/dbraw/zinc/39/50/61/1121395061.db2.gz IFCRFEYOEXKBKU-GFCCVEGCSA-N 0 1 295.361 3.862 20 0 CHADMN Cc1ccc(C)c([C@H](C)NCc2cccc3c2OCCO3)c1 ZINC000078995191 1128982534 /nfs/dbraw/zinc/98/25/34/1128982534.db2.gz CUIYWWLFXUJKEA-HNNXBMFYSA-N 0 1 297.398 3.925 20 0 CHADMN C[N@H+]1CCC=C(Nc2cc(C(F)(F)F)ccc2[S-])C1 ZINC001175576263 1121398068 /nfs/dbraw/zinc/39/80/68/1121398068.db2.gz IUTMHWGLWAFVMC-UHFFFAOYSA-N 0 1 288.338 3.625 20 0 CHADMN CC(C)(C)Oc1ccc(CNCc2cncs2)cc1 ZINC000676044324 1121401680 /nfs/dbraw/zinc/40/16/80/1121401680.db2.gz HXPJTAMGAOPTHJ-UHFFFAOYSA-N 0 1 276.405 3.610 20 0 CHADMN CCN(CC)Cc1cc(-c2ccccc2Cl)on1 ZINC000419176609 1121407073 /nfs/dbraw/zinc/40/70/73/1121407073.db2.gz ADTFIUDVZCGKBX-UHFFFAOYSA-N 0 1 264.756 3.837 20 0 CHADMN CC1(CN2CCc3c(ncn3-c3ccc(F)cc3)C2)CCC1 ZINC000432861126 1121407231 /nfs/dbraw/zinc/40/72/31/1121407231.db2.gz ATMYFXCUXHLIGQ-UHFFFAOYSA-N 0 1 299.393 3.560 20 0 CHADMN Clc1ccccc1-c1cc(CN2CCCC2)no1 ZINC000419190363 1121408740 /nfs/dbraw/zinc/40/87/40/1121408740.db2.gz IBLBDDZLHCYTRJ-UHFFFAOYSA-N 0 1 262.740 3.591 20 0 CHADMN CC(C)[C@@]1(CO)CCCN(Cc2cc(Cl)ccc2F)C1 ZINC000339710897 1121410031 /nfs/dbraw/zinc/41/00/31/1121410031.db2.gz PWZYVNKDIPBYTO-INIZCTEOSA-N 0 1 299.817 3.710 20 0 CHADMN CC[C@H](CNCc1cc(C)no1)Oc1ccccc1Cl ZINC000631084044 1128983571 /nfs/dbraw/zinc/98/35/71/1128983571.db2.gz QKQJBKWGGAZJIV-GFCCVEGCSA-N 0 1 294.782 3.584 20 0 CHADMN CCc1cnc(CN2CCC[C@H](C3CCC3)CC2)o1 ZINC001175612120 1121411322 /nfs/dbraw/zinc/41/13/22/1121411322.db2.gz QNOYHGWOTXEQNV-AWEZNQCLSA-N 0 1 262.397 3.639 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(-c4ccccn4)no3)cc12 ZINC001175693619 1121414350 /nfs/dbraw/zinc/41/43/50/1121414350.db2.gz FOEIYJOATPOVHM-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Cc1cc(CN[C@H]2CCCOc3c(C(C)C)cccc32)[nH]n1 ZINC000676235307 1121415048 /nfs/dbraw/zinc/41/50/48/1121415048.db2.gz FIDKWFDZUQDLHF-KRWDZBQOSA-N 0 1 299.418 3.845 20 0 CHADMN Cc1cc(CN[C@H]2CCCOc3c(C(C)C)cccc32)n[nH]1 ZINC000676235307 1121415051 /nfs/dbraw/zinc/41/50/51/1121415051.db2.gz FIDKWFDZUQDLHF-KRWDZBQOSA-N 0 1 299.418 3.845 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ncccc3OC(F)F)cc12 ZINC001175694172 1121415144 /nfs/dbraw/zinc/41/51/44/1121415144.db2.gz PMAKQTDLNRSJCZ-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1[nH]nc2ccc(Nc3c(Cl)cncc3Cl)cc12 ZINC001175693070 1121415158 /nfs/dbraw/zinc/41/51/58/1121415158.db2.gz XZZSBSCUDUWOGB-UHFFFAOYSA-N 0 1 293.157 3.739 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@@H]1CCc2c1cccc2F ZINC000147753612 1121415764 /nfs/dbraw/zinc/41/57/64/1121415764.db2.gz OVKDQTOFRQIMMP-RFAUZJTJSA-N 0 1 274.339 3.769 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccccc3-n3cccn3)cc12 ZINC001175699343 1121416454 /nfs/dbraw/zinc/41/64/54/1121416454.db2.gz NRPVWFFHBCCDMV-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccccc3N(C)C)cc21 ZINC001175699159 1121416814 /nfs/dbraw/zinc/41/68/14/1121416814.db2.gz KAOQSDWUEYHUSA-UHFFFAOYSA-N 0 1 266.348 3.681 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(Cl)cc3O)cc12 ZINC001175700662 1121417761 /nfs/dbraw/zinc/41/77/61/1121417761.db2.gz QVXVDCJAKSOMRC-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1[nH]nc2ccc(N3c4ccc(N)cc4CC[C@@H]3C)cc12 ZINC001175699729 1121418132 /nfs/dbraw/zinc/41/81/32/1121418132.db2.gz QFDNKRXMUDQBGI-NSHDSACASA-N 0 1 292.386 3.926 20 0 CHADMN COc1ccc(Nc2ccc3n[nH]c(C)c3c2)c(OC)c1 ZINC001175700793 1121419010 /nfs/dbraw/zinc/41/90/10/1121419010.db2.gz YEAIURPKWMDZII-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(F)c(C)cc3N)cc12 ZINC001175700712 1121419088 /nfs/dbraw/zinc/41/90/88/1121419088.db2.gz TUEUSJCNBBCRAO-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN Cc1[nH]nc2cc(Nc3nc(C)c(C)nc3Cl)ccc12 ZINC001175656945 1121421580 /nfs/dbraw/zinc/42/15/80/1121421580.db2.gz MBTICHOJWRIOFQ-UHFFFAOYSA-N 0 1 287.754 3.675 20 0 CHADMN Cc1[nH]nc2cc(Nc3c(C)ccnc3C)ccc21 ZINC001175656216 1121422327 /nfs/dbraw/zinc/42/23/27/1121422327.db2.gz ALMMKORDDVLGLU-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4ocnc43)ccc12 ZINC001175662686 1121426285 /nfs/dbraw/zinc/42/62/85/1121426285.db2.gz XFUGCCVYDCOMFA-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN CCc1ccc(O)c(Nc2ccc3c(C)[nH]nc3c2)c1 ZINC001175662502 1121426319 /nfs/dbraw/zinc/42/63/19/1121426319.db2.gz PJLKWBQFKDPRDT-UHFFFAOYSA-N 0 1 267.332 3.883 20 0 CHADMN Cc1scc(CNCc2nc3cccc(C)c3[nH]2)c1C ZINC000631102640 1128985342 /nfs/dbraw/zinc/98/53/42/1128985342.db2.gz BYTPBBGLHYFVRS-UHFFFAOYSA-N 0 1 285.416 3.839 20 0 CHADMN Cc1cn(-c2ccc3c(C)[nH]nc3c2)c2cc(N)ccc12 ZINC001175665355 1121427183 /nfs/dbraw/zinc/42/71/83/1121427183.db2.gz KUCQLYQRDAFSES-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN COc1ccc(Nc2ccc3c(C)[nH]nc3c2)c(C(C)=O)c1 ZINC001175665782 1121427434 /nfs/dbraw/zinc/42/74/34/1121427434.db2.gz RCCKZELUQDUNAM-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN COCc1ccc(Nc2ccc3c(c2)n[nH]c3C)cc1 ZINC001175663203 1121427602 /nfs/dbraw/zinc/42/76/02/1121427602.db2.gz VAKRZWXMEVXSRB-UHFFFAOYSA-N 0 1 267.332 3.761 20 0 CHADMN CC(=O)c1cc(Nc2ccc3c(C)[nH]nc3c2)ccc1O ZINC001175662993 1121427834 /nfs/dbraw/zinc/42/78/34/1121427834.db2.gz NFBDJZODIXIAKA-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN Cc1[nH]nc2cc(N3CCCc4c(N)cccc43)ccc12 ZINC001175662842 1121428061 /nfs/dbraw/zinc/42/80/61/1121428061.db2.gz GERNSFKYRSHKHO-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN Cc1[nH]nc(CN2CCC[C@H]2c2ccc(F)cc2)c1C ZINC000893917640 1121438948 /nfs/dbraw/zinc/43/89/48/1121438948.db2.gz DBNFOUNDNQGASE-INIZCTEOSA-N 0 1 273.355 3.503 20 0 CHADMN CC(C)N(Cc1ccccn1)Cc1cccc2c1NCCC2 ZINC000893966749 1121448184 /nfs/dbraw/zinc/44/81/84/1121448184.db2.gz DNIAGMMBMJJPCW-UHFFFAOYSA-N 0 1 295.430 3.850 20 0 CHADMN Fc1cnc(Br)c(NC2=CCCCC2)c1 ZINC001175753109 1121452030 /nfs/dbraw/zinc/45/20/30/1121452030.db2.gz QQPCINBJQAJECV-UHFFFAOYSA-N 0 1 271.133 3.853 20 0 CHADMN Cc1n[nH]c(CN2CCC(c3cccc(F)c3)CC2)c1C ZINC000894021635 1121455322 /nfs/dbraw/zinc/45/53/22/1121455322.db2.gz OWXHJNLXEQNZOK-UHFFFAOYSA-N 0 1 287.382 3.545 20 0 CHADMN Cc1[nH]nc(CN2CCC[C@H]2c2ccc(F)c(F)c2)c1C ZINC000894025867 1121457173 /nfs/dbraw/zinc/45/71/73/1121457173.db2.gz JBNDCWBMHPHZCW-INIZCTEOSA-N 0 1 291.345 3.642 20 0 CHADMN CSc1ccc(CN(C)[C@H](CCO)c2ccccc2)o1 ZINC000894028083 1121457683 /nfs/dbraw/zinc/45/76/83/1121457683.db2.gz PWZQYYFLRAVEIK-OAHLLOKOSA-N 0 1 291.416 3.557 20 0 CHADMN Cc1cscc1Nc1cccc(N2CCN(C)CC2)c1 ZINC001175768090 1121459338 /nfs/dbraw/zinc/45/93/38/1121459338.db2.gz VNGPBVZUPCFXBV-UHFFFAOYSA-N 0 1 287.432 3.552 20 0 CHADMN C[C@@H]1SCC[C@@H]1NCc1csc(-c2cccs2)n1 ZINC000647258083 1121460253 /nfs/dbraw/zinc/46/02/53/1121460253.db2.gz MSJAUJUQLXNXGQ-ONGXEEELSA-N 0 1 296.486 3.855 20 0 CHADMN Cc1nnc(Nc2ccccc2Oc2ccccc2)o1 ZINC001175834448 1121470481 /nfs/dbraw/zinc/47/04/81/1121470481.db2.gz LNXAXTDHQCDVOC-UHFFFAOYSA-N 0 1 267.288 3.914 20 0 CHADMN CC(C)C[C@@H](N[C@@H](C)c1cn(C)cn1)c1ccccc1 ZINC000709921112 1121472179 /nfs/dbraw/zinc/47/21/79/1121472179.db2.gz SWVLFQMRGUPRPK-GOEBONIOSA-N 0 1 271.408 3.858 20 0 CHADMN c1cn2cc(Nc3cnn(C4CCCCC4)c3)ccc2n1 ZINC001175881195 1121476321 /nfs/dbraw/zinc/47/63/21/1121476321.db2.gz RODFXBVQYANYSW-UHFFFAOYSA-N 0 1 281.363 3.780 20 0 CHADMN Cc1noc([C@H](N[C@@H](C)CCCC(C)C)C(C)C)n1 ZINC000168059175 1121476448 /nfs/dbraw/zinc/47/64/48/1121476448.db2.gz KLOXAOMDPXQNHD-GXTWGEPZSA-N 0 1 267.417 3.880 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cnc3ccc(C)cn23)c1 ZINC000432908837 1121476546 /nfs/dbraw/zinc/47/65/46/1121476546.db2.gz ZZPQQFNTQIVQRP-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN Cc1noc([C@@H](N[C@@H](C)CCCC(C)C)C(C)C)n1 ZINC000168059265 1121476671 /nfs/dbraw/zinc/47/66/71/1121476671.db2.gz KLOXAOMDPXQNHD-JSGCOSHPSA-N 0 1 267.417 3.880 20 0 CHADMN C[C@H]1CN(Cc2csc(Cl)c2Cl)[C@@H](C)CN1C ZINC000432922648 1121480964 /nfs/dbraw/zinc/48/09/64/1121480964.db2.gz AWEMYSRNHLFOLO-IUCAKERBSA-N 0 1 293.263 3.579 20 0 CHADMN CCc1nnc([C@@H](C)N[C@@H]2CCC[C@@H]2c2ccccc2)o1 ZINC000133978726 1121481468 /nfs/dbraw/zinc/48/14/68/1121481468.db2.gz JQONQGZWOCILMU-BPLDGKMQSA-N 0 1 285.391 3.619 20 0 CHADMN CN(Cc1n[nH]c(C(C)(C)C)n1)c1cccc2ccccc21 ZINC000432928482 1121484948 /nfs/dbraw/zinc/48/49/48/1121484948.db2.gz RYVMXBDBQDBNNW-UHFFFAOYSA-N 0 1 294.402 3.892 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(OC(C)C)c(Cl)c1 ZINC001175867696 1121485318 /nfs/dbraw/zinc/48/53/18/1121485318.db2.gz AJMZLERJRRSKKG-UHFFFAOYSA-N 0 1 279.771 3.913 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(F)c(F)c(F)c2)[C@@H]1C ZINC000512586785 1121485431 /nfs/dbraw/zinc/48/54/31/1121485431.db2.gz LKZYSSYVXSFLNJ-NXEZZACHSA-N 0 1 257.299 3.724 20 0 CHADMN CC(C)N(Cc1n[nH]c(C(C)(C)C)n1)Cc1ccccc1 ZINC000432943644 1121487221 /nfs/dbraw/zinc/48/72/21/1121487221.db2.gz MXVCOLMWGGKHKY-UHFFFAOYSA-N 0 1 286.423 3.513 20 0 CHADMN CCC1(CC)CCCN1CC(=O)Nc1ccc(F)cc1F ZINC001175898500 1121487393 /nfs/dbraw/zinc/48/73/93/1121487393.db2.gz SLOFTZQUHMTRTF-UHFFFAOYSA-N 0 1 296.361 3.558 20 0 CHADMN COCC(C)(C)[N@@H+](C)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000429264294 1121490200 /nfs/dbraw/zinc/49/02/00/1121490200.db2.gz LYCCGJUHSKUNGJ-UHFFFAOYSA-N 0 1 291.435 3.671 20 0 CHADMN CC(C)(NCCc1ccccc1)c1cc(C(F)(F)F)on1 ZINC000429268327 1121490846 /nfs/dbraw/zinc/49/08/46/1121490846.db2.gz RUXAURFVMZNMEZ-UHFFFAOYSA-N 0 1 298.308 3.761 20 0 CHADMN Fc1ccc(CN2CC[C@H]3CC[C@@H](C2)S3)c(Cl)c1 ZINC000625771530 1121490995 /nfs/dbraw/zinc/49/09/95/1121490995.db2.gz MZPYKIBSEUWBFM-OLZOCXBDSA-N 0 1 285.815 3.949 20 0 CHADMN Clc1ccc(CN2CC[C@H]3CC[C@@H](C2)S3)s1 ZINC000625773244 1121491462 /nfs/dbraw/zinc/49/14/62/1121491462.db2.gz PPGLIVJPMWPAPI-ZJUUUORDSA-N 0 1 273.854 3.871 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000625775882 1121492838 /nfs/dbraw/zinc/49/28/38/1121492838.db2.gz XEPDWVPWPZPPOV-RTXFEEFZSA-N 0 1 283.387 3.996 20 0 CHADMN Cc1cc(Cl)ccc1CNCc1cc(C2CC2)nn1C ZINC000922947877 1121495507 /nfs/dbraw/zinc/49/55/07/1121495507.db2.gz LMCGOGVMRWTGNZ-UHFFFAOYSA-N 0 1 289.810 3.549 20 0 CHADMN CC(C)(C)c1coc(CNC[C@H]2CC(C)(C)OC2(C)C)n1 ZINC000922948270 1121495997 /nfs/dbraw/zinc/49/59/97/1121495997.db2.gz GKYYQSWVIOIBTP-GFCCVEGCSA-N 0 1 294.439 3.655 20 0 CHADMN Cc1cccc2ncc(Nc3ccc4scnc4c3)n21 ZINC001175912658 1121497027 /nfs/dbraw/zinc/49/70/27/1121497027.db2.gz YWPWRSPYIVRQQN-UHFFFAOYSA-N 0 1 280.356 3.996 20 0 CHADMN Cc1cc(N2c3ccc(N)cc3CC[C@@H]2C)cc(C)c1N ZINC001175932661 1121500629 /nfs/dbraw/zinc/50/06/29/1121500629.db2.gz ZLGRQXLXRXOFSM-ZDUSSCGKSA-N 0 1 281.403 3.941 20 0 CHADMN CSC[C@@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000429278259 1121502250 /nfs/dbraw/zinc/50/22/50/1121502250.db2.gz XLQOSUSZSTUBFW-LLVKDONJSA-N 0 1 271.376 3.540 20 0 CHADMN CCc1onc(C)c1CNCc1ccc(C2CC2)cc1 ZINC000922981685 1121504348 /nfs/dbraw/zinc/50/43/48/1121504348.db2.gz IDFMKWYVQDWZRI-UHFFFAOYSA-N 0 1 270.376 3.713 20 0 CHADMN CCc1onc(C)c1CNCc1cccn1CCC(C)C ZINC000922988813 1121507552 /nfs/dbraw/zinc/50/75/52/1121507552.db2.gz TXOPCTJJGFUKGV-UHFFFAOYSA-N 0 1 289.423 3.683 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1nc2cc(Cl)ccc2n1C ZINC000512652074 1121510548 /nfs/dbraw/zinc/51/05/48/1121510548.db2.gz HVJBHDUAYWBVSC-NWDGAFQWSA-N 0 1 291.826 3.847 20 0 CHADMN COc1ccsc1CN[C@@]1(C)CCOc2ccccc21 ZINC000923023459 1121513736 /nfs/dbraw/zinc/51/37/36/1121513736.db2.gz AVKHRALKTNYSAT-INIZCTEOSA-N 0 1 289.400 3.544 20 0 CHADMN COc1cc(C)ccc1CN[C@@]1(C)CCOc2ccccc21 ZINC000923024542 1121513931 /nfs/dbraw/zinc/51/39/31/1121513931.db2.gz IQCLOWBFLCCEKR-IBGZPJMESA-N 0 1 297.398 3.791 20 0 CHADMN C[C@]1(NCc2ccc(F)c(F)c2)CCOc2ccccc21 ZINC000923025778 1121515821 /nfs/dbraw/zinc/51/58/21/1121515821.db2.gz PKMUYRWRFASXNT-KRWDZBQOSA-N 0 1 289.325 3.752 20 0 CHADMN CCCc1c(C)[nH]n(-c2cccc(Cl)c2C)c1=O ZINC000614188470 1121517109 /nfs/dbraw/zinc/51/71/09/1121517109.db2.gz CTUDCBZOVMFJHC-LLVKDONJSA-N 0 1 264.756 3.787 20 0 CHADMN CC(C)(F)CNCc1cnc(-c2ccccc2)s1 ZINC000631189184 1128990666 /nfs/dbraw/zinc/99/06/66/1128990666.db2.gz LULPHJBZLXBXGQ-UHFFFAOYSA-N 0 1 264.369 3.648 20 0 CHADMN CC[C@@H](N[C@@H](c1ccccc1)C(C)C)c1ccn(C)n1 ZINC000543607312 1121518095 /nfs/dbraw/zinc/51/80/95/1121518095.db2.gz YLTMIQGVQNTWHX-NVXWUHKLSA-N 0 1 271.408 3.858 20 0 CHADMN Clc1ccc2cc(Nc3ccc4nn[nH]c4c3)cnc2c1 ZINC001175998232 1121519083 /nfs/dbraw/zinc/51/90/83/1121519083.db2.gz GLVAUIWZLWGITL-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1ccc2cc(Nc3ccc4n[nH]nc4c3)cnc2c1 ZINC001175998232 1121519087 /nfs/dbraw/zinc/51/90/87/1121519087.db2.gz GLVAUIWZLWGITL-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN c1cc2cc(Nc3ccc4nn[nH]c4c3)ccc2s1 ZINC001176003151 1121521160 /nfs/dbraw/zinc/52/11/60/1121521160.db2.gz MXTIUYYZCYSPKA-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN c1cc2cc(Nc3ccc4n[nH]nc4c3)ccc2s1 ZINC001176003151 1121521166 /nfs/dbraw/zinc/52/11/66/1121521166.db2.gz MXTIUYYZCYSPKA-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN Cc1cc(Nc2ccc3nn[nH]c3c2)c(Cl)cc1F ZINC001176004016 1121521562 /nfs/dbraw/zinc/52/15/62/1121521562.db2.gz LTCKQXHWAKJWJN-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1cc(Nc2ccc3n[nH]nc3c2)c(Cl)cc1F ZINC001176004016 1121521567 /nfs/dbraw/zinc/52/15/67/1121521567.db2.gz LTCKQXHWAKJWJN-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN c1csc(-c2ccccc2Nc2ccc3nn[nH]c3c2)n1 ZINC001176004249 1121521811 /nfs/dbraw/zinc/52/18/11/1121521811.db2.gz HEKNUDOLCQVYNY-UHFFFAOYSA-N 0 1 293.355 3.825 20 0 CHADMN c1csc(-c2ccccc2Nc2ccc3n[nH]nc3c2)n1 ZINC001176004249 1121521816 /nfs/dbraw/zinc/52/18/16/1121521816.db2.gz HEKNUDOLCQVYNY-UHFFFAOYSA-N 0 1 293.355 3.825 20 0 CHADMN Cc1cccc(Cl)c1Nc1ccc2nn[nH]c2c1 ZINC001176005170 1121521886 /nfs/dbraw/zinc/52/18/86/1121521886.db2.gz DICDKOKXCZGLEC-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1cccc(Cl)c1Nc1ccc2n[nH]nc2c1 ZINC001176005170 1121521891 /nfs/dbraw/zinc/52/18/91/1121521891.db2.gz DICDKOKXCZGLEC-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Fc1cc(Cl)c(Nc2ccc3nn[nH]c3c2)cc1F ZINC001176003825 1121521986 /nfs/dbraw/zinc/52/19/86/1121521986.db2.gz JLULVDJSGRQYAI-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN Fc1cc(Cl)c(Nc2ccc3n[nH]nc3c2)cc1F ZINC001176003825 1121521996 /nfs/dbraw/zinc/52/19/96/1121521996.db2.gz JLULVDJSGRQYAI-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN Clc1cnc2cccc(Nc3ccc4nn[nH]c4c3)c2c1 ZINC001176003859 1121522068 /nfs/dbraw/zinc/52/20/68/1121522068.db2.gz UVLSYDBTEHIUDU-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1cnc2cccc(Nc3ccc4n[nH]nc4c3)c2c1 ZINC001176003859 1121522075 /nfs/dbraw/zinc/52/20/75/1121522075.db2.gz UVLSYDBTEHIUDU-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN CC(C)(C)OC[C@H]1CCCN1Cc1ccc(F)c(F)c1 ZINC001176008370 1121523948 /nfs/dbraw/zinc/52/39/48/1121523948.db2.gz DXGCBRDPYFYXPO-CYBMUJFWSA-N 0 1 283.362 3.744 20 0 CHADMN Cc1cnc(C2CCN(Cc3ccc(F)cc3)CC2)s1 ZINC000433029131 1121525352 /nfs/dbraw/zinc/52/53/52/1121525352.db2.gz FOSUZDOBFNDYPT-UHFFFAOYSA-N 0 1 290.407 3.970 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2cc(O)ccc2Br)C1 ZINC000433041240 1121529684 /nfs/dbraw/zinc/52/96/84/1121529684.db2.gz BUKVBQZAIOZGHP-JQWIXIFHSA-N 0 1 298.224 3.775 20 0 CHADMN CCc1ccc(CN(C)[C@H](C)c2ccccn2)s1 ZINC000543624391 1121532989 /nfs/dbraw/zinc/53/29/89/1121532989.db2.gz XQTKODUNNFPJBI-GFCCVEGCSA-N 0 1 260.406 3.899 20 0 CHADMN CN(C/C=C/c1ccc(F)cc1F)Cc1cccc(O)c1 ZINC000543628285 1121533719 /nfs/dbraw/zinc/53/37/19/1121533719.db2.gz NJCDMABDTNUXSW-HWKANZROSA-N 0 1 289.325 3.816 20 0 CHADMN Fc1cc(-c2ccccc2)ccc1Nc1ncc[nH]1 ZINC001176085711 1121534678 /nfs/dbraw/zinc/53/46/78/1121534678.db2.gz PGNJKYTZCFPQLL-UHFFFAOYSA-N 0 1 253.280 3.959 20 0 CHADMN O=C(c1cccc(Cl)c1Nc1ncc[nH]1)C(F)(F)F ZINC001176090451 1121536514 /nfs/dbraw/zinc/53/65/14/1121536514.db2.gz FVMDKBVHCVNJHJ-UHFFFAOYSA-N 0 1 289.644 3.552 20 0 CHADMN Brc1nc2c(cccc2Nc2ncc[nH]2)s1 ZINC001176090912 1121537038 /nfs/dbraw/zinc/53/70/38/1121537038.db2.gz RCZRNGTUXKBSQG-UHFFFAOYSA-N 0 1 295.165 3.526 20 0 CHADMN CCc1noc([C@@H](C)N2CC[C@@H](c3ccc(CC)cc3)C2)n1 ZINC000433065025 1121547988 /nfs/dbraw/zinc/54/79/88/1121547988.db2.gz CWQXDKGJJCIBBP-CZUORRHYSA-N 0 1 299.418 3.745 20 0 CHADMN CC[C@H](CN[C@@H](CC)c1nc(C(F)(F)F)cs1)OC ZINC000419234441 1121555309 /nfs/dbraw/zinc/55/53/09/1121555309.db2.gz BUNOCMYPBXIZGM-BDAKNGLRSA-N 0 1 296.358 3.628 20 0 CHADMN CCc1nnc(Nc2c(F)ccc3ccc(C)nc32)s1 ZINC001176114786 1121555338 /nfs/dbraw/zinc/55/53/38/1121555338.db2.gz WXWWMMVWLRPAQG-UHFFFAOYSA-N 0 1 288.351 3.840 20 0 CHADMN CCOC1CC(CN2CCc3c(F)cc(F)cc3[C@@H]2C)C1 ZINC000509373845 1121557035 /nfs/dbraw/zinc/55/70/35/1121557035.db2.gz RDUHPHJZSJRPJC-DCBWTQNWSA-N 0 1 295.373 3.699 20 0 CHADMN COc1ccsc1CN(C)CCCOc1ccccc1 ZINC000509372885 1121557628 /nfs/dbraw/zinc/55/76/28/1121557628.db2.gz NYRXQTKSJNSDIO-UHFFFAOYSA-N 0 1 291.416 3.658 20 0 CHADMN FC(F)(F)c1cnc(CN[C@@]23C[C@@H]2CCCC3)s1 ZINC000631228542 1128993460 /nfs/dbraw/zinc/99/34/60/1128993460.db2.gz ZJSUSKXZEWZPDC-KWQFWETISA-N 0 1 276.327 3.584 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN2CC[C@@H](CC(C)C)C2)c1 ZINC000466716841 1121563842 /nfs/dbraw/zinc/56/38/42/1121563842.db2.gz IMWNOOUGKIOZCJ-INIZCTEOSA-N 0 1 288.435 3.610 20 0 CHADMN FC(F)CN(C[C@H]1CCCC12CCOCC2)C1CCC1 ZINC001176193284 1121569525 /nfs/dbraw/zinc/56/95/25/1121569525.db2.gz PPLFQQXZMGLKEB-CYBMUJFWSA-N 0 1 287.394 3.703 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1-n1c(N)nc2ccccc21 ZINC001176204672 1121573331 /nfs/dbraw/zinc/57/33/31/1121573331.db2.gz FSWHNTOQYAISOZ-UHFFFAOYSA-N 0 1 291.276 3.935 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1Nc1ccnc(CO)c1 ZINC001176206459 1121573731 /nfs/dbraw/zinc/57/37/31/1121573731.db2.gz WXBHRRAWXWBFAL-UHFFFAOYSA-N 0 1 282.265 3.645 20 0 CHADMN Cc1ccc(CNCc2ccc3nc(C)sc3c2)o1 ZINC000631243252 1128994584 /nfs/dbraw/zinc/99/45/84/1128994584.db2.gz XPZZHJYLRXVEPX-UHFFFAOYSA-N 0 1 272.373 3.796 20 0 CHADMN CC[C@H](CC(F)F)CN1Cc2cccc(OC)c2C1 ZINC000626023566 1121581850 /nfs/dbraw/zinc/58/18/50/1121581850.db2.gz LEGDUAGOWOKKQU-LLVKDONJSA-N 0 1 269.335 3.692 20 0 CHADMN CC(C)Oc1cccc(F)c1Nc1nonc1C1CC1 ZINC001211775601 1121581908 /nfs/dbraw/zinc/58/19/08/1121581908.db2.gz SMSLPZBRJIYFSW-UHFFFAOYSA-N 0 1 277.299 3.617 20 0 CHADMN O=C1CCc2cc(Nc3cc(O)c(F)c(F)c3)ccc21 ZINC001176235843 1121584681 /nfs/dbraw/zinc/58/46/81/1121584681.db2.gz YPJXKBRTMLWBFO-UHFFFAOYSA-N 0 1 275.254 3.543 20 0 CHADMN CC[C@H](N[C@H](CO)CC(F)F)c1cccc(Cl)c1F ZINC000429455310 1121589501 /nfs/dbraw/zinc/58/95/01/1121589501.db2.gz VDDHHMWDFKEICE-KWQFWETISA-N 0 1 295.732 3.536 20 0 CHADMN CC(C)[C@H](NCc1ccnc(N)c1)c1ccccc1Cl ZINC000411475488 1121591629 /nfs/dbraw/zinc/59/16/29/1121591629.db2.gz ZZCNRFSPRDWXNY-INIZCTEOSA-N 0 1 289.810 3.634 20 0 CHADMN C[C@@H](Cc1ccco1)NCc1csc(C(C)(C)C)n1 ZINC000067185913 1121595987 /nfs/dbraw/zinc/59/59/87/1121595987.db2.gz FGQLAXLIJXRXTJ-NSHDSACASA-N 0 1 278.421 3.754 20 0 CHADMN CCc1ccc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000135031709 1121604382 /nfs/dbraw/zinc/60/43/82/1121604382.db2.gz RPVCKNYQTRDACF-MRXNPFEDSA-N 0 1 289.419 3.572 20 0 CHADMN CCCOc1ccc(Nc2c(C)ncn2C)cc1Cl ZINC001176308332 1121606291 /nfs/dbraw/zinc/60/62/91/1121606291.db2.gz LORYOBUNFJTGQU-UHFFFAOYSA-N 0 1 279.771 3.914 20 0 CHADMN CC(C)(C[NH2+]Cc1cccc([O-])c1Cl)C(F)(F)F ZINC000645178483 1121608279 /nfs/dbraw/zinc/60/82/79/1121608279.db2.gz RNLBJIFPJASLTO-UHFFFAOYSA-N 0 1 281.705 3.724 20 0 CHADMN Cc1cc2cc(CN[C@@H]3CCCn4nccc43)oc2cc1C ZINC000631302300 1128997205 /nfs/dbraw/zinc/99/72/05/1128997205.db2.gz YYTRLBXPDOZRMR-MRXNPFEDSA-N 0 1 295.386 3.871 20 0 CHADMN COc1ccc([C@@H](C)NCc2scnc2C2CC2)cc1 ZINC000486936552 1121615875 /nfs/dbraw/zinc/61/58/75/1121615875.db2.gz GAQCMZVDJRRJJR-LLVKDONJSA-N 0 1 288.416 3.880 20 0 CHADMN COc1cccc2c1CCC[C@@H]2N[C@H](C)c1ccccn1 ZINC000194832142 1121616106 /nfs/dbraw/zinc/61/61/06/1121616106.db2.gz NKJSDWCWFAKSCS-DYVFJYSZSA-N 0 1 282.387 3.818 20 0 CHADMN c1nc(C2CC2)c(CN[C@@H]2CSc3ccccc32)s1 ZINC000487268088 1121618126 /nfs/dbraw/zinc/61/81/26/1121618126.db2.gz COJRTQOOXHQESG-GFCCVEGCSA-N 0 1 288.441 3.957 20 0 CHADMN Cc1cc([C@H]2CCC[N@H+]2C/C=C\c2ccc(F)cc2)on1 ZINC000509809788 1121618375 /nfs/dbraw/zinc/61/83/75/1121618375.db2.gz FRVPZUDGYZCUQY-ZENLRNHISA-N 0 1 286.350 3.972 20 0 CHADMN Cc1cc([C@H]2CCCN2C/C=C\c2ccc(F)cc2)on1 ZINC000509809788 1121618376 /nfs/dbraw/zinc/61/83/76/1121618376.db2.gz FRVPZUDGYZCUQY-ZENLRNHISA-N 0 1 286.350 3.972 20 0 CHADMN CCc1cccc2cc(CN[C@H]3CCCn4nccc43)oc21 ZINC000631299398 1128997705 /nfs/dbraw/zinc/99/77/05/1128997705.db2.gz ZOLASTZPZQNIBR-INIZCTEOSA-N 0 1 295.386 3.816 20 0 CHADMN Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NCc1c[nH]cn1 ZINC000894130976 1121618812 /nfs/dbraw/zinc/61/88/12/1121618812.db2.gz KKTIYAUJMANUFI-AWEZNQCLSA-N 0 1 284.407 3.709 20 0 CHADMN Cc1ccc(C(C)(C)NCc2scnc2C2CC2)cn1 ZINC000487553312 1121620869 /nfs/dbraw/zinc/62/08/69/1121620869.db2.gz QIARYAZEHCUALM-UHFFFAOYSA-N 0 1 287.432 3.749 20 0 CHADMN CC[C@@H](CN1CCCC[C@H]1c1nc2ccccc2[nH]1)OC ZINC000419287500 1121622865 /nfs/dbraw/zinc/62/28/65/1121622865.db2.gz RKPGBJAYBFFZHA-BBRMVZONSA-N 0 1 287.407 3.515 20 0 CHADMN O=C(Nc1cccc(NCc2cnc[nH]2)c1)C1CCCCC1 ZINC000894133834 1121626067 /nfs/dbraw/zinc/62/60/67/1121626067.db2.gz ZPYQQMVQKIJCAI-UHFFFAOYSA-N 0 1 298.390 3.541 20 0 CHADMN CCOc1cccc(CN[C@@H](CC)c2ccccc2)n1 ZINC000411887048 1121630016 /nfs/dbraw/zinc/63/00/16/1121630016.db2.gz NMRMNUQWFQRRFB-INIZCTEOSA-N 0 1 270.376 3.721 20 0 CHADMN CC(C)CSCC[NH2+]Cc1cccc([O-])c1Cl ZINC000397484562 1121631715 /nfs/dbraw/zinc/63/17/15/1121631715.db2.gz SRQWGDGXCRKHJV-UHFFFAOYSA-N 0 1 273.829 3.524 20 0 CHADMN Cc1cc([C@H]2CCCCN2Cc2cnc(Cl)s2)n[nH]1 ZINC001176486796 1121638030 /nfs/dbraw/zinc/63/80/30/1121638030.db2.gz YAMCQBHGHLLMQH-GFCCVEGCSA-N 0 1 296.827 3.555 20 0 CHADMN CCCn1c(C)nnc1CN(C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419311882 1121642869 /nfs/dbraw/zinc/64/28/69/1121642869.db2.gz CDNDXRNCSNLNEP-GJZGRUSLSA-N 0 1 292.471 3.643 20 0 CHADMN CC(C)(NCc1ccc(-c2cc[nH]n2)o1)c1cccs1 ZINC000433313896 1121644414 /nfs/dbraw/zinc/64/44/14/1121644414.db2.gz XFLNBMBEDWYAQM-UHFFFAOYSA-N 0 1 287.388 3.756 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1nc2c(s1)CCC2 ZINC000611416805 1121646409 /nfs/dbraw/zinc/64/64/09/1121646409.db2.gz WPBIZPVJJKADPB-NSHDSACASA-N 0 1 284.494 3.595 20 0 CHADMN FC(F)(F)c1cnc(CN[C@H]2CC23CCCC3)s1 ZINC000433335586 1121649817 /nfs/dbraw/zinc/64/98/17/1121649817.db2.gz MBUKERLJRRXOSR-QMMMGPOBSA-N 0 1 276.327 3.584 20 0 CHADMN FCCN[C@H]1CCCSc2ccc(Cl)cc21 ZINC000336683272 1121651508 /nfs/dbraw/zinc/65/15/08/1121651508.db2.gz QBRGPZNWVCMFQS-NSHDSACASA-N 0 1 259.777 3.826 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCc3cnccc3C)n2)cc1 ZINC000433370480 1121656133 /nfs/dbraw/zinc/65/61/33/1121656133.db2.gz GWGZRZMOHCNHGC-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN OCc1cc(Nc2cc(Cl)cc(Cl)c2)ccn1 ZINC001176570699 1121657416 /nfs/dbraw/zinc/65/74/16/1121657416.db2.gz NGWSWHWPLUJVLP-UHFFFAOYSA-N 0 1 269.131 3.624 20 0 CHADMN Oc1cccc(CN2CC[C@H]2Cc2ccccc2)c1Cl ZINC000508811901 1121657762 /nfs/dbraw/zinc/65/77/62/1121657762.db2.gz MHQSDWCRSUGTHD-HNNXBMFYSA-N 0 1 287.790 3.863 20 0 CHADMN CN(Cc1ncnn1C(C)(C)C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419332696 1121662609 /nfs/dbraw/zinc/66/26/09/1121662609.db2.gz LCCHGJYRCBNIRQ-KBPBESRZSA-N 0 1 292.471 3.680 20 0 CHADMN Cc1ccc(F)c(CN[C@@H](C)c2ccc3n[nH]cc3c2)c1 ZINC000513027454 1121665119 /nfs/dbraw/zinc/66/51/19/1121665119.db2.gz LMCGHCLXICPBBB-LBPRGKRZSA-N 0 1 283.350 3.861 20 0 CHADMN Cc1sc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c(C)c1C ZINC000419338044 1121668118 /nfs/dbraw/zinc/66/81/18/1121668118.db2.gz BSJJKNLNWFCTFG-KWBADKCTSA-N 0 1 294.464 3.588 20 0 CHADMN COc1cccc(-c2nc(CN(C)CC3CC3)cs2)c1 ZINC000052106461 1121674047 /nfs/dbraw/zinc/67/40/47/1121674047.db2.gz VQAXNVFCUQQKKX-UHFFFAOYSA-N 0 1 288.416 3.661 20 0 CHADMN CCc1onc(C)c1CN[C@H]1CCCc2ccc(F)cc21 ZINC000894161873 1121677140 /nfs/dbraw/zinc/67/71/40/1121677140.db2.gz MEXLPMVBAYKYNQ-INIZCTEOSA-N 0 1 288.366 3.852 20 0 CHADMN COC(=O)c1ccoc1CN1CCC[C@H]1c1ccccc1C ZINC000052212508 1121679637 /nfs/dbraw/zinc/67/96/37/1121679637.db2.gz NIHYWRVVBPVQII-INIZCTEOSA-N 0 1 299.370 3.712 20 0 CHADMN c1ccc(CC[C@H]2CCCN2Cc2nc(C3CC3)no2)cc1 ZINC000052106007 1121679855 /nfs/dbraw/zinc/67/98/55/1121679855.db2.gz RXRUMFXCXMJPQE-MRXNPFEDSA-N 0 1 297.402 3.544 20 0 CHADMN CCC1CCN([C@H](C)C(=O)Nc2cccc(C)c2C)CC1 ZINC000052279796 1121682716 /nfs/dbraw/zinc/68/27/16/1121682716.db2.gz OKNMPVXCVREREJ-OAHLLOKOSA-N 0 1 288.435 3.752 20 0 CHADMN CN(Cc1csc(-c2ccc(F)cc2)n1)CC1CC1 ZINC000052128059 1121690660 /nfs/dbraw/zinc/69/06/60/1121690660.db2.gz SRGQMIVRIHUNCT-UHFFFAOYSA-N 0 1 276.380 3.791 20 0 CHADMN CCCCN(C)[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000727057518 1121691100 /nfs/dbraw/zinc/69/11/00/1121691100.db2.gz SMFNIRLATGVBGV-CYBMUJFWSA-N 0 1 273.380 3.838 20 0 CHADMN C[C@H](NCc1nccc(Cl)c1Cl)C1(C)CC1 ZINC001176767314 1121694395 /nfs/dbraw/zinc/69/43/95/1121694395.db2.gz FJEVBDNLUJFVMJ-QMMMGPOBSA-N 0 1 259.180 3.667 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1N[C@H]1CCCOC1 ZINC000516590800 1121694440 /nfs/dbraw/zinc/69/44/40/1121694440.db2.gz WQYDGSARJBEGOA-INIZCTEOSA-N 0 1 288.435 3.966 20 0 CHADMN Cc1cccnc1[C@H](C)NCc1cccc2cccnc21 ZINC001176896802 1121702389 /nfs/dbraw/zinc/70/23/89/1121702389.db2.gz JXQDLPZENLVKKG-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN COc1nscc1CN1CCC[C@H](C2CCCC2)C1 ZINC001176940563 1121702745 /nfs/dbraw/zinc/70/27/45/1121702745.db2.gz TWLVJDPRLWZNNO-ZDUSSCGKSA-N 0 1 280.437 3.554 20 0 CHADMN CCc1onc(C)c1CN1CCc2ccc(CC)cc2C1 ZINC001177033889 1121703728 /nfs/dbraw/zinc/70/37/28/1121703728.db2.gz YJYDPZPQPZAJLH-UHFFFAOYSA-N 0 1 284.403 3.666 20 0 CHADMN Cc1ccc(CNCc2cccc(OCC(C)C)c2)o1 ZINC000067252181 1121705701 /nfs/dbraw/zinc/70/57/01/1121705701.db2.gz JVJQXWRZNDCTPP-UHFFFAOYSA-N 0 1 273.376 3.913 20 0 CHADMN COc1cc(C)nc(CN2CCc3cc(C)cc(C)c3C2)c1 ZINC001177033581 1121706876 /nfs/dbraw/zinc/70/68/76/1121706876.db2.gz KHUNHQQPMDEURQ-UHFFFAOYSA-N 0 1 296.414 3.574 20 0 CHADMN Fc1ccc(CNCc2c[nH]c(-c3ccccc3)n2)cc1 ZINC001177093955 1121712192 /nfs/dbraw/zinc/71/21/92/1121712192.db2.gz YFYBXEYUTFPRQR-UHFFFAOYSA-N 0 1 281.334 3.506 20 0 CHADMN Fc1ccc(CNCc2cnc(-c3ccccc3)[nH]2)cc1 ZINC001177093955 1121712204 /nfs/dbraw/zinc/71/22/04/1121712204.db2.gz YFYBXEYUTFPRQR-UHFFFAOYSA-N 0 1 281.334 3.506 20 0 CHADMN CC(C)Oc1cccc(CN(C)Cc2ccoc2)c1 ZINC000345093359 1121712863 /nfs/dbraw/zinc/71/28/63/1121712863.db2.gz CHDZZGUPPMVIBK-UHFFFAOYSA-N 0 1 259.349 3.699 20 0 CHADMN Nc1c(Cl)cccc1CNCc1cc2ccccc2o1 ZINC001177294931 1121720917 /nfs/dbraw/zinc/72/09/17/1121720917.db2.gz SIJBVQDVKRJKTQ-UHFFFAOYSA-N 0 1 286.762 3.958 20 0 CHADMN c1coc(COCc2cccc(CNCc3ccoc3)c2)c1 ZINC000727466220 1121720994 /nfs/dbraw/zinc/72/09/94/1121720994.db2.gz ZVOZBYPTSREHPZ-UHFFFAOYSA-N 0 1 297.354 3.879 20 0 CHADMN CCCCOc1cccc(CNCc2ccoc2)c1 ZINC000727467436 1121721152 /nfs/dbraw/zinc/72/11/52/1121721152.db2.gz XXYMGHIVDYNBMI-UHFFFAOYSA-N 0 1 259.349 3.748 20 0 CHADMN C[C@H]1CC[C@H](CNCc2csc(C(F)(F)F)n2)C1 ZINC000894175105 1121723063 /nfs/dbraw/zinc/72/30/63/1121723063.db2.gz VMQOFOJMMRJIHK-IUCAKERBSA-N 0 1 278.343 3.688 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000227883306 1121733983 /nfs/dbraw/zinc/73/39/83/1121733983.db2.gz HMOUJNJMVOXLTG-KGLIPLIRSA-N 0 1 269.429 3.778 20 0 CHADMN CCCCOCCNCc1nc2ccccc2n1C(C)C ZINC001177537351 1121737208 /nfs/dbraw/zinc/73/72/08/1121737208.db2.gz ONKVEXZYFONINL-UHFFFAOYSA-N 0 1 289.423 3.524 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3C[C@H]3c3cccs3)ccc12 ZINC001177547659 1121738273 /nfs/dbraw/zinc/73/82/73/1121738273.db2.gz ZYLDOPHHEVIJSY-CHWSQXEVSA-N 0 1 297.383 3.675 20 0 CHADMN CCn1cnc(Cl)c1CN[C@H]1CCc2cc(C)ccc21 ZINC001177650482 1121743909 /nfs/dbraw/zinc/74/39/09/1121743909.db2.gz GZPDRAOSTCWKBC-AWEZNQCLSA-N 0 1 289.810 3.642 20 0 CHADMN CCc1ccc2nc(-c3cnn(CC(F)(F)F)c3)[nH]c2c1 ZINC000534630627 1121745886 /nfs/dbraw/zinc/74/58/86/1121745886.db2.gz CUIGVEBMAVZEJB-UHFFFAOYSA-N 0 1 294.280 3.551 20 0 CHADMN Cc1cc2cc[nH]c2c(NC/C=C/c2ccccc2)n1 ZINC001166064927 1121746834 /nfs/dbraw/zinc/74/68/34/1121746834.db2.gz CKLWKLAZTDJACO-VMPITWQZSA-N 0 1 263.344 3.997 20 0 CHADMN CC(C)C[C@@H](C)CC(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000727850627 1121752548 /nfs/dbraw/zinc/75/25/48/1121752548.db2.gz XNHAFNPXDPVEOQ-SNVBAGLBSA-N 0 1 292.408 3.544 20 0 CHADMN CCc1cc(CNC/C=C\c2cc(C)c(C)cc2C)on1 ZINC001177911249 1121756573 /nfs/dbraw/zinc/75/65/73/1121756573.db2.gz HSRIQYWBKUPYAX-SREVYHEPSA-N 0 1 284.403 3.965 20 0 CHADMN COc1ccc(Br)c(CN[C@@H]2C=CCCC2)c1 ZINC001178059203 1121764528 /nfs/dbraw/zinc/76/45/28/1121764528.db2.gz COIMORBLQAYGMI-GFCCVEGCSA-N 0 1 296.208 3.656 20 0 CHADMN C[C@H]1CCN(CCSC2CCCCC2)C[C@H]1F ZINC000619720649 1129007687 /nfs/dbraw/zinc/00/76/87/1129007687.db2.gz OEEQIWCHVRTMLI-GXTWGEPZSA-N 0 1 259.434 3.732 20 0 CHADMN COc1ccc(CNc2ccc3c(c2)CN(C)C3)cc1C ZINC001178094857 1121766651 /nfs/dbraw/zinc/76/66/51/1121766651.db2.gz RDHMYXZXSMAZPR-UHFFFAOYSA-N 0 1 282.387 3.561 20 0 CHADMN Cc1ccccc1[C@H](N[C@H](C)c1ncc[nH]1)C1CC1 ZINC000286244489 1121767313 /nfs/dbraw/zinc/76/73/13/1121767313.db2.gz UCZCFLPWRNLHIP-IUODEOHRSA-N 0 1 255.365 3.520 20 0 CHADMN Cc1ccccc1[C@@H](N[C@@H](C)c1ncc[nH]1)C(C)C ZINC000286376206 1121768193 /nfs/dbraw/zinc/76/81/93/1121768193.db2.gz ZVYJUCSHCBYKPP-ZFWWWQNUSA-N 0 1 257.381 3.766 20 0 CHADMN CCOc1cc(C)ccc1CNCc1cccc2c1OCC2 ZINC001178161559 1121768525 /nfs/dbraw/zinc/76/85/25/1121768525.db2.gz MPQLPVXQHZRGDG-UHFFFAOYSA-N 0 1 297.398 3.618 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000286683816 1121770291 /nfs/dbraw/zinc/77/02/91/1121770291.db2.gz XBJFOPNRLZZZFI-YVEFUNNKSA-N 0 1 295.386 3.510 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CCCc3ncccc32)o1 ZINC000631570366 1129008340 /nfs/dbraw/zinc/00/83/40/1129008340.db2.gz SFRHZXLRPCJLKE-VMGRFDJRSA-N 0 1 282.387 3.965 20 0 CHADMN FC(F)c1cccc(CN[C@H]2CCc3cccnc32)c1 ZINC001119376619 1121779787 /nfs/dbraw/zinc/77/97/87/1121779787.db2.gz XJOHORYPLLCKES-AWEZNQCLSA-N 0 1 274.314 3.796 20 0 CHADMN COCc1cc(C)c(-c2cccc3cncn32)c(C)c1 ZINC001206331636 1121789742 /nfs/dbraw/zinc/78/97/42/1121789742.db2.gz WGVLEJANKQUZFW-UHFFFAOYSA-N 0 1 266.344 3.765 20 0 CHADMN C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000430140623 1121796545 /nfs/dbraw/zinc/79/65/45/1121796545.db2.gz UOSQISFEGMDZRR-KSSFIOAISA-N 0 1 299.389 3.838 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152884583 1129009693 /nfs/dbraw/zinc/00/96/93/1129009693.db2.gz HCNZLUNUIBYONW-RWMBFGLXSA-N 0 1 262.397 3.765 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000152884583 1129009697 /nfs/dbraw/zinc/00/96/97/1129009697.db2.gz HCNZLUNUIBYONW-RWMBFGLXSA-N 0 1 262.397 3.765 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001178690062 1121807471 /nfs/dbraw/zinc/80/74/71/1121807471.db2.gz JTEOOLCDGBISON-XJKSGUPXSA-N 0 1 274.408 3.623 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)[C@H]2CCCCN2C)cc1 ZINC001178690062 1121807477 /nfs/dbraw/zinc/80/74/77/1121807477.db2.gz JTEOOLCDGBISON-XJKSGUPXSA-N 0 1 274.408 3.623 20 0 CHADMN Cc1cccc(CNC(C)(C)c2ccc(F)cc2)n1 ZINC000828286919 1121809213 /nfs/dbraw/zinc/80/92/13/1121809213.db2.gz JUVVBGUYLROHND-UHFFFAOYSA-N 0 1 258.340 3.554 20 0 CHADMN Cc1ccc(CNc2ccc3c(n2)CCC3)cc1C ZINC001178741347 1121810751 /nfs/dbraw/zinc/81/07/51/1121810751.db2.gz CWLKKPJQVSCCER-UHFFFAOYSA-N 0 1 252.361 3.799 20 0 CHADMN c1nc2cc(CNc3ccc4c(n3)CCC4)ccc2s1 ZINC001178741285 1121812019 /nfs/dbraw/zinc/81/20/19/1121812019.db2.gz AINYZTKXLOQXTR-UHFFFAOYSA-N 0 1 281.384 3.792 20 0 CHADMN Cc1cc(C)c(C=CCNCc2n[nH]c(C(C)C)n2)c(C)c1 ZINC001178791272 1121816506 /nfs/dbraw/zinc/81/65/06/1121816506.db2.gz VRXCZRZDKLGQED-VOTSOKGWSA-N 0 1 298.434 3.656 20 0 CHADMN Clc1cscc1CNCCOCC1CCCC1 ZINC001178871893 1121825071 /nfs/dbraw/zinc/82/50/71/1121825071.db2.gz CTMDSLFCXVKPPW-UHFFFAOYSA-N 0 1 273.829 3.698 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@@H]1CCCc3ncccc31)CCO2 ZINC000631593677 1129012004 /nfs/dbraw/zinc/01/20/04/1129012004.db2.gz LCLGJDNHHZWLAY-IAGOWNOFSA-N 0 1 298.361 3.712 20 0 CHADMN C[C@@H](Oc1nc[nH]c(=O)c1Cl)c1ccccc1Cl ZINC001230011844 1121827929 /nfs/dbraw/zinc/82/79/29/1121827929.db2.gz ABQLUGQFMUFSGY-SSDOTTSWSA-N 0 1 285.130 3.629 20 0 CHADMN CCN(Cc1ccccc1)Cc1cnc(Cl)c(OC)c1 ZINC001249911991 1121835349 /nfs/dbraw/zinc/83/53/49/1121835349.db2.gz FMPKCGVYNLJXEJ-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN COc1cccc(OC)c1CNC/C(C)=C/c1ccccc1 ZINC001179105570 1121850580 /nfs/dbraw/zinc/85/05/80/1121850580.db2.gz JHPQFHVDMUOKOV-NTCAYCPXSA-N 0 1 297.398 3.897 20 0 CHADMN C[C@H](NCc1ccc2ccccc2n1)c1cccc(CO)c1 ZINC000345148331 1121851552 /nfs/dbraw/zinc/85/15/52/1121851552.db2.gz WHSHAFYSASPTED-AWEZNQCLSA-N 0 1 292.382 3.578 20 0 CHADMN CCc1ccc(C)nc1NCc1ccn(-c2ccccc2)n1 ZINC001179139090 1121854156 /nfs/dbraw/zinc/85/41/56/1121854156.db2.gz GCBNUHRIYTVDOJ-UHFFFAOYSA-N 0 1 292.386 3.750 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN1CC[C@H](CC(C)C)C1 ZINC000072491934 1121854127 /nfs/dbraw/zinc/85/41/27/1121854127.db2.gz FENWQVOHOQBYNF-MRXNPFEDSA-N 0 1 288.435 3.610 20 0 CHADMN CO[C@@]1(C)C[C@H]1NCc1ccccc1OCc1ccccc1 ZINC001179210710 1121858786 /nfs/dbraw/zinc/85/87/86/1121858786.db2.gz LJSWKVMPHNVQBY-MOPGFXCFSA-N 0 1 297.398 3.533 20 0 CHADMN COc1ccc(F)c(CNC/C=C/c2cccc(F)c2)c1 ZINC001179216084 1121860265 /nfs/dbraw/zinc/86/02/65/1121860265.db2.gz ITXJJGJIYMWVAG-HWKANZROSA-N 0 1 289.325 3.776 20 0 CHADMN Cc1ccc(C(C)(C)C(=O)Nc2ccc3cncn3c2)cc1 ZINC001179303315 1121869207 /nfs/dbraw/zinc/86/92/07/1121869207.db2.gz ACXOPXSSZVPISQ-UHFFFAOYSA-N 0 1 293.370 3.559 20 0 CHADMN CCC[C@@H](NCc1cnn2ccccc12)c1cc(C)ccn1 ZINC000631628399 1129015003 /nfs/dbraw/zinc/01/50/03/1129015003.db2.gz HJOMJFMWVFTBAX-MRXNPFEDSA-N 0 1 294.402 3.669 20 0 CHADMN CCC[C@@H](NCc1cnc2n1CCCC2)c1cc(C)ccn1 ZINC000631626912 1129015025 /nfs/dbraw/zinc/01/50/25/1129015025.db2.gz YXSUEWMAYWEXBK-MRXNPFEDSA-N 0 1 298.434 3.554 20 0 CHADMN C[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccc(C2CCC2)cc1 ZINC000631634776 1129015489 /nfs/dbraw/zinc/01/54/89/1129015489.db2.gz NGTRJLHBHHXNJP-GFCCVEGCSA-N 0 1 296.418 3.800 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1ccc(C)c(C)c1 ZINC000731863640 1121886266 /nfs/dbraw/zinc/88/62/66/1121886266.db2.gz AEMOJRXIEZJOPF-UHFFFAOYSA-N 0 1 276.424 3.754 20 0 CHADMN CCc1cccc(CNCc2noc3ccccc23)c1 ZINC001179570234 1121889935 /nfs/dbraw/zinc/88/99/35/1121889935.db2.gz CPWHJIJAENNZGC-UHFFFAOYSA-N 0 1 266.344 3.680 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C3C(C)(C)C3(C)C)cc(F)c12 ZINC001179694296 1121898989 /nfs/dbraw/zinc/89/89/89/1121898989.db2.gz AOHYPWYJKWWJHP-UHFFFAOYSA-N 0 1 289.354 3.631 20 0 CHADMN Cc1ccccc1-c1ccccc1CNCc1cn(C)cn1 ZINC001179771569 1121907005 /nfs/dbraw/zinc/90/70/05/1121907005.db2.gz HFMIVANACYQOTD-UHFFFAOYSA-N 0 1 291.398 3.685 20 0 CHADMN C[C@H](NC[C@H]1CCc2ccccc21)c1nc(C(C)(C)C)no1 ZINC000732228345 1121911713 /nfs/dbraw/zinc/91/17/13/1121911713.db2.gz LVKVKPPXEHLIMX-GXTWGEPZSA-N 0 1 299.418 3.748 20 0 CHADMN O=C(CNCc1ccsc1)Nc1cccc2ccccc21 ZINC000732231157 1121914241 /nfs/dbraw/zinc/91/42/41/1121914241.db2.gz IRTWSJKIZMMYHX-UHFFFAOYSA-N 0 1 296.395 3.630 20 0 CHADMN Cc1ccccc1[C@@H](C)N(C)Cc1ccc(F)cn1 ZINC000345807785 1121915667 /nfs/dbraw/zinc/91/56/67/1121915667.db2.gz GUGGSDXEJNHZIN-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1Cc1ccc(F)cn1 ZINC000345789107 1121917903 /nfs/dbraw/zinc/91/79/03/1121917903.db2.gz GEJGAPOPTDUSFF-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN COc1ccc(CN[C@@H](c2ccccc2)C2CCC2)o1 ZINC001119942987 1121918591 /nfs/dbraw/zinc/91/85/91/1121918591.db2.gz IPDHSDNNVXGBDF-KRWDZBQOSA-N 0 1 271.360 3.919 20 0 CHADMN CCC[C@@H](C)C[N@H+](Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000901579357 1129018378 /nfs/dbraw/zinc/01/83/78/1129018378.db2.gz IIGWWWLTGFUNES-HUUCEWRRSA-N 0 1 277.408 3.646 20 0 CHADMN Cc1nn(C)c(Cl)c1CN1CCCC2(CCCCC2)C1 ZINC000732412301 1121922093 /nfs/dbraw/zinc/92/20/93/1121922093.db2.gz GTPAVYCBYMOVPQ-UHFFFAOYSA-N 0 1 295.858 3.928 20 0 CHADMN Fc1ccc(CCN2CCc3ccc(F)c(F)c3C2)cc1 ZINC001179925723 1121924232 /nfs/dbraw/zinc/92/42/32/1121924232.db2.gz RQDKVURULUZXMI-UHFFFAOYSA-N 0 1 291.316 3.705 20 0 CHADMN C[C@@H](NC(=O)CC(C)(C)C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732547367 1121926798 /nfs/dbraw/zinc/92/67/98/1121926798.db2.gz PASYFWLBAQZWSP-SECBINFHSA-N 0 1 293.798 3.830 20 0 CHADMN Cc1cc(CN2CCN(c3ccccc3C)CC2)c(C)o1 ZINC001179951976 1121930817 /nfs/dbraw/zinc/93/08/17/1121930817.db2.gz NJJADJNVQIANLR-UHFFFAOYSA-N 0 1 284.403 3.527 20 0 CHADMN Cn1ccnc1[C@H](C1CC1)N1CCC[C@H]1c1ccsc1 ZINC000637909244 1129235413 /nfs/dbraw/zinc/23/54/13/1129235413.db2.gz HQJVTNUTEVRIHF-GJZGRUSLSA-N 0 1 287.432 3.770 20 0 CHADMN COC(=O)c1cc(C[N@H+]2CCC[C@H](C)CC2)[nH]c1C(C)C ZINC001180029833 1121938822 /nfs/dbraw/zinc/93/88/22/1121938822.db2.gz FEHUVCLPFAMOAU-ZDUSSCGKSA-N 0 1 292.423 3.547 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(N(C)C)c2)c(F)c1 ZINC001180137034 1121949440 /nfs/dbraw/zinc/94/94/40/1121949440.db2.gz UAGCWRNMRXWCDY-UHFFFAOYSA-N 0 1 286.394 3.832 20 0 CHADMN CCC[C@H](C)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000501137941 1121958259 /nfs/dbraw/zinc/95/82/59/1121958259.db2.gz DPHUPZNUAISMMS-WFASDCNBSA-N 0 1 267.800 3.902 20 0 CHADMN CC(C)[C@H](C)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000733109404 1121960654 /nfs/dbraw/zinc/96/06/54/1121960654.db2.gz WCQBLHUZQRWUKC-UWVGGRQHSA-N 0 1 293.798 3.686 20 0 CHADMN CCOc1cncc(CN(CC)Cc2ccccc2C)c1 ZINC001204261879 1121963022 /nfs/dbraw/zinc/96/30/22/1121963022.db2.gz QTLPMBLYVDOHLI-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN O[C@H](C[N@H+]1CCC[C@@H]1c1ccc[nH]1)c1cccc(Cl)c1 ZINC000072578265 1121966401 /nfs/dbraw/zinc/96/64/01/1121966401.db2.gz KHRVUBFQJTXFEE-HZPDHXFCSA-N 0 1 290.794 3.539 20 0 CHADMN O[C@H](CN1CCC[C@@H]1c1ccc[nH]1)c1cccc(Cl)c1 ZINC000072578265 1121966409 /nfs/dbraw/zinc/96/64/09/1121966409.db2.gz KHRVUBFQJTXFEE-HZPDHXFCSA-N 0 1 290.794 3.539 20 0 CHADMN CC(C)(NCc1cnc(Cl)s1)c1ccc(F)cc1 ZINC000079320395 1129021386 /nfs/dbraw/zinc/02/13/86/1129021386.db2.gz LGYCXLNMQCEUFM-UHFFFAOYSA-N 0 1 284.787 3.961 20 0 CHADMN Cc1nc2cc(NC[C@H]3CC=CCC3)ccc2n1[C@@H](C)CO ZINC000419763213 1121967457 /nfs/dbraw/zinc/96/74/57/1121967457.db2.gz NIYPBAXEIGDDLP-ZFWWWQNUSA-N 0 1 299.418 3.666 20 0 CHADMN CCNc1ccccc1CN(CC)Cc1ccccn1 ZINC001180267482 1121969332 /nfs/dbraw/zinc/96/93/32/1121969332.db2.gz WXBXNSPFUSEOKI-UHFFFAOYSA-N 0 1 269.392 3.536 20 0 CHADMN Cc1ccc(C)c([C@H](C)N[C@H](C)c2cnccn2)c1 ZINC000070478819 1121970468 /nfs/dbraw/zinc/97/04/68/1121970468.db2.gz XAMKWMWVWHUOJR-UONOGXRCSA-N 0 1 255.365 3.505 20 0 CHADMN CO[C@H](CN[C@@H](C)c1cccc(Cl)c1)C(F)(F)F ZINC000733323685 1121976556 /nfs/dbraw/zinc/97/65/56/1121976556.db2.gz NDIUZGZDRODTNK-GZMMTYOYSA-N 0 1 281.705 3.568 20 0 CHADMN CCc1cc(OC)ccc1CNCc1cc(F)cc(F)c1 ZINC000501429438 1121977979 /nfs/dbraw/zinc/97/79/79/1121977979.db2.gz YTHDMLBVDHRJRN-UHFFFAOYSA-N 0 1 291.341 3.826 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2cncc(C)c2)s1 ZINC000631707022 1129022473 /nfs/dbraw/zinc/02/24/73/1129022473.db2.gz DBKFXKWIRBMCTC-GHMZBOCLSA-N 0 1 261.394 3.567 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2CCCc3cccnc32)s1 ZINC000631708526 1129022507 /nfs/dbraw/zinc/02/25/07/1129022507.db2.gz OXBYRPRCLOXFLM-ZWNOBZJWSA-N 0 1 273.405 3.575 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](C)c2ccc3c(c2)COC3)s1 ZINC000631706630 1129022549 /nfs/dbraw/zinc/02/25/49/1129022549.db2.gz JSMFEDJAZXPISG-QWRGUYRKSA-N 0 1 288.416 3.894 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H]2CCCc3c(O)cccc32)s1 ZINC000631708454 1129022767 /nfs/dbraw/zinc/02/27/67/1129022767.db2.gz OGSKWZJOSBFTOE-YGRLFVJLSA-N 0 1 288.416 3.885 20 0 CHADMN Cc1cc(F)cc(Nc2nonc2C2CC2)c1Cl ZINC001214073197 1121984459 /nfs/dbraw/zinc/98/44/59/1121984459.db2.gz HPYVDXWYGCOANY-UHFFFAOYSA-N 0 1 267.691 3.792 20 0 CHADMN CC[C@H]1CO[C@H](C)CN1Cc1cc2c(cccc2O)s1 ZINC001180530975 1121994738 /nfs/dbraw/zinc/99/47/38/1121994738.db2.gz AOTKYNVEMSNFSQ-NEPJUHHUSA-N 0 1 291.416 3.606 20 0 CHADMN CC(C)n1cc([C@@H](C)NCc2cccc3c2NCCC3)cn1 ZINC000894250025 1121999251 /nfs/dbraw/zinc/99/92/51/1121999251.db2.gz CPVFUAXBOSPGCY-CQSZACIVSA-N 0 1 298.434 3.673 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1cccc(F)c1F)CC2 ZINC000631725460 1129024063 /nfs/dbraw/zinc/02/40/63/1129024063.db2.gz HATTVFZYDNAVND-INIZCTEOSA-N 0 1 289.325 3.751 20 0 CHADMN CCc1nc2c(s1)[C@@H](NCc1ccc(C)o1)CCC2 ZINC000631727441 1129024163 /nfs/dbraw/zinc/02/41/63/1129024163.db2.gz AYJJPYZAGMKQAM-LBPRGKRZSA-N 0 1 276.405 3.774 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](C)C2)c(C)c1 ZINC000501784463 1122007529 /nfs/dbraw/zinc/00/75/29/1122007529.db2.gz GNGGJOUPABXFHH-IMJJTQAJSA-N 0 1 288.435 3.608 20 0 CHADMN CCOc1ccc(CNCc2ccc(C)o2)c(C)c1 ZINC000631242869 1122008462 /nfs/dbraw/zinc/00/84/62/1122008462.db2.gz ORRKGFNRAAGEGY-UHFFFAOYSA-N 0 1 259.349 3.585 20 0 CHADMN Cc1sc(NC(=O)CN2CC[C@H](C)[C@@H](C)C2)c(C)c1C ZINC000501797308 1122010468 /nfs/dbraw/zinc/01/04/68/1122010468.db2.gz UHQWYIXCNHDGJR-QWRGUYRKSA-N 0 1 294.464 3.590 20 0 CHADMN C[C@H]1CCN(Cc2nc3cc(Cl)ccc3n2C)C[C@H]1C ZINC000501811668 1122011009 /nfs/dbraw/zinc/01/10/09/1122011009.db2.gz IGJTVMBEDQDRQN-NWDGAFQWSA-N 0 1 291.826 3.705 20 0 CHADMN CCCOc1ccc(CN(C)Cc2ccccn2)cc1C ZINC001180769023 1122014644 /nfs/dbraw/zinc/01/46/44/1122014644.db2.gz MJZMQFWPEHJEMA-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN Cc1[nH]nc2ccc(Cc3c(F)cccc3F)cc12 ZINC001249987779 1122017473 /nfs/dbraw/zinc/01/74/73/1122017473.db2.gz NCALCLXLQGNBHY-UHFFFAOYSA-N 0 1 258.271 3.740 20 0 CHADMN CCC(CC)NC(=O)[C@H](C)N[C@@H](CC)c1ccccc1F ZINC000649738548 1129025540 /nfs/dbraw/zinc/02/55/40/1129025540.db2.gz LZMWOFUTBIDXAL-LRDDRELGSA-N 0 1 294.414 3.560 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc3c2CCOC3)o1 ZINC000631730110 1129025566 /nfs/dbraw/zinc/02/55/66/1129025566.db2.gz NNXIRBPILPYRLK-ZDUSSCGKSA-N 0 1 271.360 3.512 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000305674585 1129025619 /nfs/dbraw/zinc/02/56/19/1129025619.db2.gz YXYLEVWGYDKRKK-NTZNESFSSA-N 0 1 285.790 3.633 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@@H]([C@H](C)O)C1 ZINC000305674585 1129025621 /nfs/dbraw/zinc/02/56/21/1129025621.db2.gz YXYLEVWGYDKRKK-NTZNESFSSA-N 0 1 285.790 3.633 20 0 CHADMN CCCn1cncc1CN(CC)Cc1c[nH]c2ccccc12 ZINC001180926876 1122024489 /nfs/dbraw/zinc/02/44/89/1122024489.db2.gz MAQAPBNUXLTCDY-UHFFFAOYSA-N 0 1 296.418 3.797 20 0 CHADMN CCC(CC)NC(=O)[C@@H](C)N[C@@H](CC)c1ccccc1F ZINC000649738549 1129025819 /nfs/dbraw/zinc/02/58/19/1129025819.db2.gz LZMWOFUTBIDXAL-WBMJQRKESA-N 0 1 294.414 3.560 20 0 CHADMN CC[C@H]1C[C@H](Nc2ccnc3cc(F)ccc32)CCO1 ZINC000420625254 1122024978 /nfs/dbraw/zinc/02/49/78/1122024978.db2.gz XGMQMFWKIYJULQ-OLZOCXBDSA-N 0 1 274.339 3.743 20 0 CHADMN CCC1(CC)CCN(Cc2nccn2C2CC2)CC1 ZINC001180977117 1122027817 /nfs/dbraw/zinc/02/78/17/1122027817.db2.gz KJGCJTLUOAYCOP-UHFFFAOYSA-N 0 1 261.413 3.620 20 0 CHADMN CCCC[C@@H](C)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000502021869 1122031005 /nfs/dbraw/zinc/03/10/05/1122031005.db2.gz BAENAMACHWXGLV-SNVBAGLBSA-N 0 1 259.353 3.636 20 0 CHADMN C[C@H](NC/C=C/c1ccc(F)cc1F)c1ccncc1F ZINC000509949182 1122040046 /nfs/dbraw/zinc/04/00/46/1122040046.db2.gz PLGWAGCOMVGCKG-VUDBWIFFSA-N 0 1 292.304 3.863 20 0 CHADMN Cc1c([C@H](C)N[C@@H]2C[C@H]2C(F)(F)F)cnn1C(C)(C)C ZINC000631753305 1129027488 /nfs/dbraw/zinc/02/74/88/1129027488.db2.gz JLORAYOFRPEGJA-XXILOJSOSA-N 0 1 289.345 3.548 20 0 CHADMN CCc1nocc1CNCc1ccc(C)c2ccccc12 ZINC000414479972 1122046919 /nfs/dbraw/zinc/04/69/19/1122046919.db2.gz JJDNVPBPGGBKLO-UHFFFAOYSA-N 0 1 280.371 3.988 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cnccc1C ZINC000353386793 1122046953 /nfs/dbraw/zinc/04/69/53/1122046953.db2.gz VXDDLGCLYMHRKQ-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC[C@@H](CC(F)(F)F)C2)cn1 ZINC000420937822 1122047155 /nfs/dbraw/zinc/04/71/55/1122047155.db2.gz ADWLKWJATFFIQJ-NEPJUHHUSA-N 0 1 287.329 3.510 20 0 CHADMN O=C(CCN1CCC[C@H](CC(F)(F)F)C1)c1ccccc1 ZINC000420939079 1122047530 /nfs/dbraw/zinc/04/75/30/1122047530.db2.gz BNVLNFSMNGHIKX-CYBMUJFWSA-N 0 1 299.336 3.924 20 0 CHADMN CCCc1cccc(CN2C[C@H](C)O[C@@H](C3CC3)C2)c1 ZINC001181360937 1122051276 /nfs/dbraw/zinc/05/12/76/1122051276.db2.gz KBPRIIBMMAUWFG-KBXCAEBGSA-N 0 1 273.420 3.638 20 0 CHADMN CC[N@@H+](CCOc1ccccc1C)Cc1scnc1C ZINC000420968796 1122052271 /nfs/dbraw/zinc/05/22/71/1122052271.db2.gz AFLOZVJXGFXYDE-UHFFFAOYSA-N 0 1 290.432 3.661 20 0 CHADMN CCN(CCOc1ccccc1C)Cc1scnc1C ZINC000420968796 1122052274 /nfs/dbraw/zinc/05/22/74/1122052274.db2.gz AFLOZVJXGFXYDE-UHFFFAOYSA-N 0 1 290.432 3.661 20 0 CHADMN Cc1ncccc1CN[C@@H](CC(F)F)c1ccccc1 ZINC000421004253 1122058317 /nfs/dbraw/zinc/05/83/17/1122058317.db2.gz ZWWGWKOLHFNFLL-HNNXBMFYSA-N 0 1 276.330 3.876 20 0 CHADMN CC(=O)c1ccc(CN(C)C2CC(OC(C)(C)C)C2)cc1 ZINC000420999053 1122058670 /nfs/dbraw/zinc/05/86/70/1122058670.db2.gz BXWIZFWQGUTNDF-UHFFFAOYSA-N 0 1 289.419 3.667 20 0 CHADMN Cc1ncc(CN(C(C)C)[C@H](C)c2ccsc2)cn1 ZINC000420998611 1122058720 /nfs/dbraw/zinc/05/87/20/1122058720.db2.gz BHBNIWIFRCHSTH-GFCCVEGCSA-N 0 1 275.421 3.818 20 0 CHADMN COc1nccc(CN(C(C)C)[C@@H](C)c2ccsc2)n1 ZINC000420999724 1122059263 /nfs/dbraw/zinc/05/92/63/1122059263.db2.gz CRZCKRQISKURJA-LBPRGKRZSA-N 0 1 291.420 3.518 20 0 CHADMN CC[C@H](NCc1cc(C(F)(F)F)n[nH]1)c1ccccc1 ZINC000414490330 1122061265 /nfs/dbraw/zinc/06/12/65/1122061265.db2.gz ANEKLSSKYRKFMY-LBPRGKRZSA-N 0 1 283.297 3.669 20 0 CHADMN CC(C)Cc1ccc(CN2CC3(C2)CCCC3)cn1 ZINC001181544641 1122062008 /nfs/dbraw/zinc/06/20/08/1122062008.db2.gz UFPVCTUBBZSSCZ-UHFFFAOYSA-N 0 1 258.409 3.656 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cc(F)c(F)c(F)c1 ZINC000631755915 1129028912 /nfs/dbraw/zinc/02/89/12/1129028912.db2.gz GTHBMJFCHJUUTI-WVBSTYLSSA-N 0 1 283.215 3.705 20 0 CHADMN CC(C)n1ncnc1CN1CC[C@@H](c2ccccc2)C1(C)C ZINC000421019905 1122064952 /nfs/dbraw/zinc/06/49/52/1122064952.db2.gz NAACDKUUDHDYHG-INIZCTEOSA-N 0 1 298.434 3.627 20 0 CHADMN C[C@H]1CCCC[C@@H]1N(C)Cc1nc(Cl)cs1 ZINC001181637463 1122065475 /nfs/dbraw/zinc/06/54/75/1122065475.db2.gz HNQCTCQCFFUSAX-UWVGGRQHSA-N 0 1 258.818 3.807 20 0 CHADMN COc1cccc(CNCc2cnccc2C(C)(C)C)c1 ZINC000414494549 1122068938 /nfs/dbraw/zinc/06/89/38/1122068938.db2.gz FDPXYGKSADTWGF-UHFFFAOYSA-N 0 1 284.403 3.678 20 0 CHADMN FC[C@@H](N[C@@H]1CCC12CCC2)c1ccc(F)cc1 ZINC000631798611 1129029261 /nfs/dbraw/zinc/02/92/61/1129029261.db2.gz WERUMAMWMCTPRG-ZIAGYGMSSA-N 0 1 251.320 3.759 20 0 CHADMN C[C@H]1C[C@H](NCc2csc(-c3ccccc3)n2)CS1 ZINC000414502405 1122076900 /nfs/dbraw/zinc/07/69/00/1122076900.db2.gz PEQLPKNEEMYRMT-AAEUAGOBSA-N 0 1 290.457 3.794 20 0 CHADMN Fc1cccc(F)c1C1(CNCc2cscn2)CCC1 ZINC000414504704 1122079290 /nfs/dbraw/zinc/07/92/90/1122079290.db2.gz KLTGGIPUZOCEJM-UHFFFAOYSA-N 0 1 294.370 3.633 20 0 CHADMN Cc1ccc(CCNc2ccc3c(n2)CCC3)cc1 ZINC001181828502 1122082113 /nfs/dbraw/zinc/08/21/13/1122082113.db2.gz VAOGZVVZKYZOAM-UHFFFAOYSA-N 0 1 252.361 3.533 20 0 CHADMN CC[C@@H](N[C@@H]1CCCn2nccc21)c1ccccc1F ZINC000631810632 1129031112 /nfs/dbraw/zinc/03/11/12/1129031112.db2.gz XCONXZOAVUTVIC-HUUCEWRRSA-N 0 1 273.355 3.598 20 0 CHADMN Cc1cc(CN2CC[C@@H](c3ccccc3F)C2)cnc1F ZINC001181985959 1122100625 /nfs/dbraw/zinc/10/06/25/1122100625.db2.gz IQFXXMDSXBWNOH-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN COc1nc(CNC(C)(C)c2ccccc2C)ccc1C ZINC001181985641 1122101206 /nfs/dbraw/zinc/10/12/06/1122101206.db2.gz FGNRRGAHFAOBHW-UHFFFAOYSA-N 0 1 284.403 3.732 20 0 CHADMN Cc1cccc(CN(C)Cc2c3c(nn2C)CCCC3)c1C ZINC001182007880 1122106013 /nfs/dbraw/zinc/10/60/13/1122106013.db2.gz MJHWAKXATVXZPF-UHFFFAOYSA-N 0 1 297.446 3.548 20 0 CHADMN COc1ccc(CNCc2cc(C)nc(C)c2)c(Cl)c1 ZINC000421386725 1122107698 /nfs/dbraw/zinc/10/76/98/1122107698.db2.gz RQLYNILGAMHCGL-UHFFFAOYSA-N 0 1 290.794 3.650 20 0 CHADMN CC(C)c1ncc(CN[C@@H]2CCCC[C@H]2F)s1 ZINC000414517406 1122115760 /nfs/dbraw/zinc/11/57/60/1122115760.db2.gz ZGALJGQBQHOULM-VXGBXAGGSA-N 0 1 256.390 3.637 20 0 CHADMN CCn1ccc(CN2CC[C@@H](C(C)(C)C)C[C@@H]2C)n1 ZINC001182181880 1122116068 /nfs/dbraw/zinc/11/60/68/1122116068.db2.gz BSOAFDUJIXZKLJ-UONOGXRCSA-N 0 1 263.429 3.550 20 0 CHADMN Cc1ccc(CN(C)C2CC(C)(C)C2)c(Cl)n1 ZINC000688538116 1129032072 /nfs/dbraw/zinc/03/20/72/1129032072.db2.gz ODKYRPYIXWWCTB-UHFFFAOYSA-N 0 1 252.789 3.664 20 0 CHADMN CCc1nn(C)c(Cl)c1CN1CC[C@@H](C)C2(CCC2)C1 ZINC000779604072 1129032241 /nfs/dbraw/zinc/03/22/41/1129032241.db2.gz FSLKBEFCPDRIAS-GFCCVEGCSA-N 0 1 295.858 3.648 20 0 CHADMN Cc1ccc(CN2CC[C@H]3[C@@H](C2)C3(F)F)cc1Cl ZINC001182238427 1122125572 /nfs/dbraw/zinc/12/55/72/1122125572.db2.gz NQXDRKWVVOAICC-NWDGAFQWSA-N 0 1 271.738 3.735 20 0 CHADMN CCCCCc1cc(C(=O)N(C)C2CCC(C)CC2)n[nH]1 ZINC001182302403 1122129843 /nfs/dbraw/zinc/12/98/43/1122129843.db2.gz BNKRJNJCKUYVEF-UHFFFAOYSA-N 0 1 291.439 3.793 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2ccnn2C)cc(C)c1F ZINC000774213124 1122144798 /nfs/dbraw/zinc/14/47/98/1122144798.db2.gz MEMBKVGWEWCMIJ-OLZOCXBDSA-N 0 1 275.371 3.588 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3c(n2)CCC3)cc1C ZINC001182357979 1122148001 /nfs/dbraw/zinc/14/80/01/1122148001.db2.gz YOYSGUYVFOOWEQ-UHFFFAOYSA-N 0 1 280.415 3.819 20 0 CHADMN CSCC[C@@H](C)N1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001258226904 1129034656 /nfs/dbraw/zinc/03/46/56/1129034656.db2.gz SIRYPSPCKYWOGG-CZUORRHYSA-N 0 1 297.439 3.515 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(Cl)c(F)c1)c1ccnn1C ZINC000774265374 1122149980 /nfs/dbraw/zinc/14/99/80/1122149980.db2.gz DNNXEUBDVICEKY-VHSXEESVSA-N 0 1 281.762 3.624 20 0 CHADMN Cc1ccccc1[C@@]1(F)CCN(CCCOC(C)C)C1 ZINC000502891066 1122154729 /nfs/dbraw/zinc/15/47/29/1122154729.db2.gz DPHAQKWFOMQLQY-QGZVFWFLSA-N 0 1 279.399 3.681 20 0 CHADMN Cc1ccccc1[C@]1(F)CCN(Cc2ccc(CO)cc2)C1 ZINC000502902057 1122157316 /nfs/dbraw/zinc/15/73/16/1122157316.db2.gz GCUJTVCWZCINEK-IBGZPJMESA-N 0 1 299.389 3.558 20 0 CHADMN C[C@@H](NCCc1nc(C(C)(C)C)cs1)c1cscn1 ZINC000271111888 1122161897 /nfs/dbraw/zinc/16/18/97/1122161897.db2.gz HNJKOGDBOFXZPL-SNVBAGLBSA-N 0 1 295.477 3.790 20 0 CHADMN CC(C)CCN(CCC(C)C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000503006175 1122161905 /nfs/dbraw/zinc/16/19/05/1122161905.db2.gz VXXSXKPMLWAGHF-UHFFFAOYSA-N 0 1 291.439 3.822 20 0 CHADMN CCNc1ccccc1CN1C[C@@H](CC)O[C@H](CC)C1 ZINC001182464232 1122166986 /nfs/dbraw/zinc/16/69/86/1122166986.db2.gz YWGJFCWHUGAXFR-HZPDHXFCSA-N 0 1 276.424 3.508 20 0 CHADMN c1ccc(-c2nnc([C@H]3CCC[N@H+]3[C@H]3C=CCCC3)[n-]2)cc1 ZINC000503159754 1122169866 /nfs/dbraw/zinc/16/98/66/1122169866.db2.gz LDLYULPPGFTSFE-JKSUJKDBSA-N 0 1 294.402 3.717 20 0 CHADMN CCOc1cc(OC)ccc1CN1CCCCC12CC2 ZINC001250062260 1122170885 /nfs/dbraw/zinc/17/08/85/1122170885.db2.gz ACGNKNIBOVOEGE-UHFFFAOYSA-N 0 1 275.392 3.612 20 0 CHADMN Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)c(Cl)n1 ZINC000688552295 1129036188 /nfs/dbraw/zinc/03/61/88/1129036188.db2.gz UGNWLNQYCWBIGB-ZMLRMANQSA-N 0 1 252.789 3.520 20 0 CHADMN CC[C@@H](NCc1cccc(Cl)n1)c1ccccc1 ZINC000271734568 1122172730 /nfs/dbraw/zinc/17/27/30/1122172730.db2.gz ZEOMXLTVULNKRN-CQSZACIVSA-N 0 1 260.768 3.976 20 0 CHADMN CNc1ccc(C)cc1CN1CC(C)(CC(F)F)C1 ZINC001182554908 1122173088 /nfs/dbraw/zinc/17/30/88/1122173088.db2.gz MNIAJIUBDLOXTI-UHFFFAOYSA-N 0 1 268.351 3.514 20 0 CHADMN Cc1cc(CN[C@@H](CO)c2ccc(Cl)cc2)c(C)s1 ZINC000271766356 1122175206 /nfs/dbraw/zinc/17/52/06/1122175206.db2.gz AIROJTSTSIMCBK-HNNXBMFYSA-N 0 1 295.835 3.842 20 0 CHADMN CN(C)c1cccc(CN[C@H](c2ccc(F)cc2)C2CC2)n1 ZINC000271765785 1122175561 /nfs/dbraw/zinc/17/55/61/1122175561.db2.gz UALYUQZATCYAQF-SFHVURJKSA-N 0 1 299.393 3.528 20 0 CHADMN CO[C@@H](C[N@H+]1CCc2ccc(Cl)cc2[C@H](C)C1)C1CC1 ZINC001182712518 1122183313 /nfs/dbraw/zinc/18/33/13/1122183313.db2.gz AVDKEQSLWSUFAW-PXAZEXFGSA-N 0 1 293.838 3.727 20 0 CHADMN CC(C)(C)C[C@@H]1C[C@H]1NCc1nc(Cl)cs1 ZINC001182756111 1122185262 /nfs/dbraw/zinc/18/52/62/1122185262.db2.gz WLIHZMGGUYQGFR-DTWKUNHWSA-N 0 1 258.818 3.711 20 0 CHADMN CC[C@H](NCc1ccc(OC)cn1)c1ccc(Cl)cc1 ZINC000272016987 1122186735 /nfs/dbraw/zinc/18/67/35/1122186735.db2.gz KPSLGLFYSOFEEW-INIZCTEOSA-N 0 1 290.794 3.985 20 0 CHADMN COc1cc(C)nc(CN[C@H](C)c2ccc(F)c(C)c2)c1 ZINC000272108212 1122190116 /nfs/dbraw/zinc/19/01/16/1122190116.db2.gz GAMBHVHAWLILIT-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN COC(=O)c1ccc([C@@H](C)N[C@@H](c2ccccc2)C2CC2)o1 ZINC000272099907 1122190336 /nfs/dbraw/zinc/19/03/36/1122190336.db2.gz ZLEYORJOKXXDKV-PXAZEXFGSA-N 0 1 299.370 3.868 20 0 CHADMN COc1cccc(C2(N[C@H](C)c3cncc(F)c3)CC2)c1 ZINC000272154793 1122192421 /nfs/dbraw/zinc/19/24/21/1122192421.db2.gz AZHHGTHAKVDODK-GFCCVEGCSA-N 0 1 286.350 3.569 20 0 CHADMN C[C@@H](NCc1ccns1)c1ccc(Cl)cc1 ZINC000404444086 1122192685 /nfs/dbraw/zinc/19/26/85/1122192685.db2.gz JHQTVUVKVZZDDU-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN COc1cc(C)nc(CNC(C)(C)c2cccc(C)c2)c1 ZINC000272183341 1122193257 /nfs/dbraw/zinc/19/32/57/1122193257.db2.gz ZTAVXRDPNIJWPD-UHFFFAOYSA-N 0 1 284.403 3.732 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@H](CCF)C2)c(F)c1 ZINC001182890816 1122193898 /nfs/dbraw/zinc/19/38/98/1122193898.db2.gz GAMLQPCCWVXQCY-GFCCVEGCSA-N 0 1 271.326 3.845 20 0 CHADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCCC1CCCCC1 ZINC000263523109 1129037855 /nfs/dbraw/zinc/03/78/55/1129037855.db2.gz RYKSGFRVCDTRNX-UKRRQHHQSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1ccc(CCN2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1C ZINC001182971223 1122198786 /nfs/dbraw/zinc/19/87/86/1122198786.db2.gz YUQMJYPLKNZIIK-PBHICJAKSA-N 0 1 297.389 3.590 20 0 CHADMN COCC[C@H](NCc1ccc(C)s1)c1ccc(C)o1 ZINC000272333870 1122198923 /nfs/dbraw/zinc/19/89/23/1122198923.db2.gz RZSVSWKPNSFTIQ-AWEZNQCLSA-N 0 1 279.405 3.825 20 0 CHADMN CN(C)Cc1cccc(Cc2cc(F)cc(F)c2)c1F ZINC001250096330 1122201153 /nfs/dbraw/zinc/20/11/53/1122201153.db2.gz SIEPZYVFRQCSAW-UHFFFAOYSA-N 0 1 279.305 3.756 20 0 CHADMN CN(Cc1nccs1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000272403348 1122201262 /nfs/dbraw/zinc/20/12/62/1122201262.db2.gz ZOUFVNQEMGYZLS-HUUCEWRRSA-N 0 1 272.417 3.911 20 0 CHADMN CCc1ccc(CN[C@@H](CCOC)c2ccco2)cc1 ZINC000272421879 1122202578 /nfs/dbraw/zinc/20/25/78/1122202578.db2.gz DKVKRIIVUBVNEO-INIZCTEOSA-N 0 1 273.376 3.709 20 0 CHADMN C[C@H](N[C@@H]1CCCOc2c(F)cccc21)c1cncs1 ZINC000272611836 1122207708 /nfs/dbraw/zinc/20/77/08/1122207708.db2.gz KPBOVUZAJKZOLZ-GXFFZTMASA-N 0 1 292.379 3.847 20 0 CHADMN COCC[C@@H](N[C@H]1CCc2ccc(C)cc21)c1ccco1 ZINC000272599637 1122207929 /nfs/dbraw/zinc/20/79/29/1122207929.db2.gz UANNJZUQOBATEH-DLBZAZTESA-N 0 1 285.387 3.943 20 0 CHADMN CCOc1ccc(CN[C@H](CCOC)c2ccco2)cc1 ZINC000272609524 1122208041 /nfs/dbraw/zinc/20/80/41/1122208041.db2.gz UGFFQTDMGGIDEK-MRXNPFEDSA-N 0 1 289.375 3.546 20 0 CHADMN CC[C@@H](C)[C@@H](CNC1(c2c(F)cccc2F)CCC1)OC ZINC001183189821 1122209639 /nfs/dbraw/zinc/20/96/39/1122209639.db2.gz ZBALNICYYBTOHG-IUODEOHRSA-N 0 1 297.389 3.995 20 0 CHADMN COc1ccnc(CN[C@@H](c2ccccc2)C(C)C)c1 ZINC000273056091 1122219667 /nfs/dbraw/zinc/21/96/67/1122219667.db2.gz RYAHXVSNGZFRNF-QGZVFWFLSA-N 0 1 270.376 3.577 20 0 CHADMN Cc1nnc([C@@H](C)N[C@@H]2CC(C)(C)CCc3ccccc32)[nH]1 ZINC000664289852 1122221271 /nfs/dbraw/zinc/22/12/71/1122221271.db2.gz OSBSGGOWUBMMOR-MLGOLLRUSA-N 0 1 298.434 3.868 20 0 CHADMN COc1ccnc(CN[C@H](C)c2cc(C)cc(C)c2)c1 ZINC000273214535 1122224339 /nfs/dbraw/zinc/22/43/39/1122224339.db2.gz ULYMKEWXZLWDKF-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN C/C(=C\c1ccccc1)C[N@H+](CCC(=O)[O-])CC(C)C ZINC000901595467 1129040004 /nfs/dbraw/zinc/04/00/04/1129040004.db2.gz MXQHAFBYKYYSKB-RVDMUPIBSA-N 0 1 275.392 3.523 20 0 CHADMN COc1ccc(-c2nc(C)c([C@@H](C)NCCF)s2)cc1 ZINC000273428686 1122232451 /nfs/dbraw/zinc/23/24/51/1122232451.db2.gz XBAQTJVSSVCNMQ-SNVBAGLBSA-N 0 1 294.395 3.747 20 0 CHADMN F[C@@H]1COc2ccccc2[C@H]1N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001183798964 1122240478 /nfs/dbraw/zinc/24/04/78/1122240478.db2.gz HIKCRUQKNMHCAK-AIOUOQGWSA-N 0 1 275.367 3.627 20 0 CHADMN Cc1noc(C)c1CN[C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503377755 1122259322 /nfs/dbraw/zinc/25/93/22/1122259322.db2.gz ONBOVQATZALIOK-HWPZZCPQSA-N 0 1 290.794 3.970 20 0 CHADMN Fc1ccc(/C=C\CN2CC(Cc3ccoc3)C2)cc1F ZINC001184198152 1122260606 /nfs/dbraw/zinc/26/06/06/1122260606.db2.gz VUNZXAIYEXWFND-UPHRSURJSA-N 0 1 289.325 3.746 20 0 CHADMN CC[C@@]1(C)COCCN1C/C(C)=C\c1ccccc1 ZINC000503560427 1122266709 /nfs/dbraw/zinc/26/67/09/1122266709.db2.gz WFJFBDZVMMDYDZ-KSVUCXBSSA-N 0 1 259.393 3.591 20 0 CHADMN CC[C@@]1(C)CCC[C@H]1NCC(F)(F)C1(O)CCCCC1 ZINC001184275506 1122267964 /nfs/dbraw/zinc/26/79/64/1122267964.db2.gz APBLCZPKKHJNHU-KGLIPLIRSA-N 0 1 289.410 3.875 20 0 CHADMN COc1cc(CNC(C)(C)c2cccc(Cl)c2)sn1 ZINC000660198235 1129044028 /nfs/dbraw/zinc/04/40/28/1129044028.db2.gz XCCRBGGLJZAHHR-UHFFFAOYSA-N 0 1 296.823 3.830 20 0 CHADMN CCc1nc(C)c(CN[C@@H](C)c2cccc(C)c2)o1 ZINC000291971953 1122289235 /nfs/dbraw/zinc/28/92/35/1122289235.db2.gz UBCKGDHLJJPWIW-LBPRGKRZSA-N 0 1 258.365 3.705 20 0 CHADMN Fc1ccc(CN2CC[C@H](c3ccccc3Cl)C2)cn1 ZINC001137740996 1122289748 /nfs/dbraw/zinc/28/97/48/1122289748.db2.gz KFMNPXJNPRJPRG-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN CC(C)C(N)=NOCc1ccc(Cl)cc1Cl ZINC000774778093 1122295236 /nfs/dbraw/zinc/29/52/36/1122295236.db2.gz DDVHTUNMCQSBFT-UHFFFAOYSA-N 0 1 261.152 3.648 20 0 CHADMN CC(C)Oc1c(F)cc(CCN2CCCC2)cc1Cl ZINC001250168130 1122299164 /nfs/dbraw/zinc/29/91/64/1122299164.db2.gz NJLLBMPQFIGOCZ-UHFFFAOYSA-N 0 1 285.790 3.905 20 0 CHADMN Cc1cc(CNCc2ccc(-c3ccccc3)s2)[nH]n1 ZINC000716473176 1122303436 /nfs/dbraw/zinc/30/34/36/1122303436.db2.gz PXLLRUYKJBZNFD-UHFFFAOYSA-N 0 1 283.400 3.736 20 0 CHADMN CC(C)C(N)=NOCc1cccc(Cl)c1Cl ZINC000774832630 1122321886 /nfs/dbraw/zinc/32/18/86/1122321886.db2.gz KAUOZAUOGQVASJ-UHFFFAOYSA-N 0 1 261.152 3.648 20 0 CHADMN CC(C)[C@@H]1CCC[C@@H](Nc2nc(Cl)nc3[nH]cnc32)C1 ZINC001185298458 1122332511 /nfs/dbraw/zinc/33/25/11/1122332511.db2.gz ICUXSVZZEOYAPS-NXEZZACHSA-N 0 1 293.802 3.633 20 0 CHADMN Cc1cccc(C2CC2)c1NS(=O)(=O)c1ccsc1 ZINC001185391740 1122336526 /nfs/dbraw/zinc/33/65/26/1122336526.db2.gz FQCFSASBVGRJQO-UHFFFAOYSA-N 0 1 293.413 3.735 20 0 CHADMN CC(C)CCN(CCC(C)C)Cc1ncnn1C(C)C ZINC000434544494 1122379277 /nfs/dbraw/zinc/37/92/77/1122379277.db2.gz NFVDPWXBPFSHLO-UHFFFAOYSA-N 0 1 280.460 3.753 20 0 CHADMN Cc1oncc1CN(C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000434621674 1122382801 /nfs/dbraw/zinc/38/28/01/1122382801.db2.gz VRDJHZHJIZTVEE-MRXNPFEDSA-N 0 1 276.355 3.951 20 0 CHADMN Cc1ccc(-c2cc(NC(=O)C(F)=C3CCCC3)[nH]n2)o1 ZINC000775006533 1122387546 /nfs/dbraw/zinc/38/75/46/1122387546.db2.gz IBFQJWBUUXCVSS-UHFFFAOYSA-N 0 1 289.310 3.714 20 0 CHADMN c1ccc(C(c2ccccc2)N2CCO[C@@H](C3CC3)C2)cc1 ZINC000514215819 1122387919 /nfs/dbraw/zinc/38/79/19/1122387919.db2.gz WPRCAMIRRIVSLO-LJQANCHMSA-N 0 1 293.410 3.887 20 0 CHADMN COc1ccccc1CN(C)CCOc1cccc(C)c1 ZINC000058876367 1122392417 /nfs/dbraw/zinc/39/24/17/1122392417.db2.gz MOJKLJOOXLPKDB-UHFFFAOYSA-N 0 1 285.387 3.514 20 0 CHADMN CCOC1(C)CCN(C/C=C/c2ccc(F)cc2F)CC1 ZINC000430101366 1122404176 /nfs/dbraw/zinc/40/41/76/1122404176.db2.gz WSFDWGWNLAIRTE-SNAWJCMRSA-N 0 1 295.373 3.869 20 0 CHADMN CC1(C)C[N@@H+](Cc2cc(-c3ccccc3)no2)CCS1 ZINC000434906064 1122421141 /nfs/dbraw/zinc/42/11/41/1122421141.db2.gz MAJWOALGCYSUDN-UHFFFAOYSA-N 0 1 288.416 3.669 20 0 CHADMN CC1(C)CN(Cc2cc(-c3ccccc3)no2)CCS1 ZINC000434906064 1122421142 /nfs/dbraw/zinc/42/11/42/1122421142.db2.gz MAJWOALGCYSUDN-UHFFFAOYSA-N 0 1 288.416 3.669 20 0 CHADMN COc1ccc(CN2CC[C@@H]2c2ccccc2)cc1 ZINC000434984987 1122426714 /nfs/dbraw/zinc/42/67/14/1122426714.db2.gz DVGBVXMQDCVJAH-QGZVFWFLSA-N 0 1 253.345 3.642 20 0 CHADMN CSCc1cnc(CN(C)[C@H]2CC[C@H](C)C2)s1 ZINC000353200125 1122460422 /nfs/dbraw/zinc/46/04/22/1122460422.db2.gz AZGYUBQPJZZTJB-QWRGUYRKSA-N 0 1 270.467 3.627 20 0 CHADMN CC[C@H]1CO[C@H](C)CN1Cc1cc2ccccc2s1 ZINC000505608016 1122434453 /nfs/dbraw/zinc/43/44/53/1122434453.db2.gz GVYMJCXSDCLMNX-OCCSQVGLSA-N 0 1 275.417 3.901 20 0 CHADMN CC[C@H]1CO[C@H](C)CN1Cc1cc(C)nc2ccccc12 ZINC000505616715 1122439124 /nfs/dbraw/zinc/43/91/24/1122439124.db2.gz XBOSNKZVHLSAQB-ZBFHGGJFSA-N 0 1 284.403 3.543 20 0 CHADMN COc1ccc(CN(C)Cc2occc2C)c(C)c1OC ZINC000430129413 1122441579 /nfs/dbraw/zinc/44/15/79/1122441579.db2.gz VCUBHMMKYDIWGS-UHFFFAOYSA-N 0 1 289.375 3.546 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN(C)Cc2occc2C)o1 ZINC000430128008 1122441873 /nfs/dbraw/zinc/44/18/73/1122441873.db2.gz SDFNAJKEOUHZNP-UHFFFAOYSA-N 0 1 285.347 3.512 20 0 CHADMN CC[C@H]1CO[C@H](C)CN1Cc1cccc(-c2ccccn2)c1 ZINC000505628619 1122444022 /nfs/dbraw/zinc/44/40/22/1122444022.db2.gz AKPJJFHDAGXDEF-QAPCUYQASA-N 0 1 296.414 3.748 20 0 CHADMN CCCN(Cc1nc2ccccc2[nH]1)Cc1ccccc1 ZINC000505635428 1122444956 /nfs/dbraw/zinc/44/49/56/1122444956.db2.gz JIFRKQPQAHLPET-UHFFFAOYSA-N 0 1 279.387 3.975 20 0 CHADMN Cc1ccccc1-c1cc(C(=O)N2CCCC[C@H](C)C2)n[nH]1 ZINC001187970617 1122448507 /nfs/dbraw/zinc/44/85/07/1122448507.db2.gz QFMZLZMPEPJMOV-ZDUSSCGKSA-N 0 1 297.402 3.647 20 0 CHADMN CCCCC[C@@H](NC(=O)CCc1cnc[nH]1)c1ccccc1 ZINC000193134777 1129055582 /nfs/dbraw/zinc/05/55/82/1129055582.db2.gz XPEGEYWRSFYTIX-QGZVFWFLSA-N 0 1 299.418 3.780 20 0 CHADMN CC(C)=CCN1CCC(O)(c2ccccc2Cl)CC1 ZINC000193153383 1129056052 /nfs/dbraw/zinc/05/60/52/1129056052.db2.gz BOCOBRRPXLCSLT-UHFFFAOYSA-N 0 1 279.811 3.590 20 0 CHADMN CC[N@@H+](CCCCCC(=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000514943720 1122465684 /nfs/dbraw/zinc/46/56/84/1122465684.db2.gz KDIVWEDNDVDMST-AWEZNQCLSA-N 0 1 293.407 3.723 20 0 CHADMN FC(F)(F)c1ccc(OC2CN([C@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC001167959023 1122466550 /nfs/dbraw/zinc/46/65/50/1122466550.db2.gz NDQFTHOPLRKBDG-PJXYFTJBSA-N 0 1 297.320 3.567 20 0 CHADMN CC(C)N(Cc1c(Cl)nc(Cl)n1C)CC1CCC1 ZINC000775175986 1122466755 /nfs/dbraw/zinc/46/67/55/1122466755.db2.gz IOJVQRZVFBFZMB-UHFFFAOYSA-N 0 1 290.238 3.737 20 0 CHADMN Cc1ccc(CN2CCn3cccc3[C@@H]2C)cc1C ZINC000505700361 1122470131 /nfs/dbraw/zinc/47/01/31/1122470131.db2.gz OMZZTWQYGRCTHN-HNNXBMFYSA-N 0 1 254.377 3.682 20 0 CHADMN CCc1ccnc(CNc2ccnc3cc(F)ccc32)c1 ZINC000435589428 1122477225 /nfs/dbraw/zinc/47/72/25/1122477225.db2.gz QGAAEBMSVBVEJJ-UHFFFAOYSA-N 0 1 281.334 3.943 20 0 CHADMN CSc1ccc(CCNc2cc(C)ccn2)cc1 ZINC000435603017 1122477270 /nfs/dbraw/zinc/47/72/70/1122477270.db2.gz GKFMUDMKMFKVHQ-UHFFFAOYSA-N 0 1 258.390 3.767 20 0 CHADMN CCC[C@@]1(COC)CCC[N@H+]1Cc1cnc(Cl)c(C)c1 ZINC000775202336 1122478732 /nfs/dbraw/zinc/47/87/32/1122478732.db2.gz HGEQPPFROKFYJY-INIZCTEOSA-N 0 1 296.842 3.825 20 0 CHADMN c1n[nH]nc1SCc1ccccc1OCc1ccccc1 ZINC001188854065 1122479993 /nfs/dbraw/zinc/47/99/93/1122479993.db2.gz QCRLAWMAHJXNBZ-UHFFFAOYSA-N 0 1 297.383 3.676 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000515163884 1122480494 /nfs/dbraw/zinc/48/04/94/1122480494.db2.gz YUEZJIGLCJCZFV-NSHDSACASA-N 0 1 275.289 3.908 20 0 CHADMN C[C@@H](C1CCCCC1)N(C)Cc1coc(C2CC2)n1 ZINC000775206513 1122481332 /nfs/dbraw/zinc/48/13/32/1122481332.db2.gz QCTHLCLLKSOXMJ-LBPRGKRZSA-N 0 1 262.397 3.953 20 0 CHADMN Cc1c(F)cccc1NC(=O)Nc1ccc(F)c(F)c1O ZINC001189061868 1122488046 /nfs/dbraw/zinc/48/80/46/1122488046.db2.gz WQGJAPJGASRGFU-UHFFFAOYSA-N 0 1 296.248 3.762 20 0 CHADMN C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCCCCC(=O)[O-] ZINC000515491060 1122504673 /nfs/dbraw/zinc/50/46/73/1122504673.db2.gz VIJLXQKUEKOKSB-DZGCQCFKSA-N 0 1 293.382 3.649 20 0 CHADMN C[C@H](NC[C@@H]1CCC2(CCCCC2)O1)c1cscn1 ZINC000515539756 1122508216 /nfs/dbraw/zinc/50/82/16/1122508216.db2.gz MEWISSCKODWFJX-STQMWFEESA-N 0 1 280.437 3.676 20 0 CHADMN CO[C@@H](CN1CCCC[C@H]1c1nc2ccccc2[nH]1)C1CC1 ZINC000425470916 1122515416 /nfs/dbraw/zinc/51/54/16/1122515416.db2.gz FWHBDOVPBKSXMJ-IRXDYDNUSA-N 0 1 299.418 3.515 20 0 CHADMN CCc1ccccc1CCSc1nc(C2CC2)n[nH]1 ZINC000436211614 1122523307 /nfs/dbraw/zinc/52/33/07/1122523307.db2.gz RISCBTKTCAHJNK-UHFFFAOYSA-N 0 1 273.405 3.579 20 0 CHADMN CCc1ccccc1CCSc1n[nH]c(C2CC2)n1 ZINC000436211614 1122523312 /nfs/dbraw/zinc/52/33/12/1122523312.db2.gz RISCBTKTCAHJNK-UHFFFAOYSA-N 0 1 273.405 3.579 20 0 CHADMN CCOc1ccccc1CNCc1cc2c(cccc2F)[nH]1 ZINC000436252459 1122527892 /nfs/dbraw/zinc/52/78/92/1122527892.db2.gz LGYUEGUDZPVXAP-UHFFFAOYSA-N 0 1 298.361 3.996 20 0 CHADMN CC(C)[C@@H](N)c1cc(-c2ccc(Cl)cc2)no1 ZINC000302317233 1122528361 /nfs/dbraw/zinc/52/83/61/1122528361.db2.gz JCJZMOGRDPIBIL-CYBMUJFWSA-N 0 1 250.729 3.651 20 0 CHADMN Fc1cccc2[nH]c(CN[C@@H]3CCOc4ccccc43)cc21 ZINC000436277930 1122529814 /nfs/dbraw/zinc/52/98/14/1122529814.db2.gz AQCYMJYAGKABRT-MRXNPFEDSA-N 0 1 296.345 3.920 20 0 CHADMN CC1=CCCN(Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000436263961 1122530122 /nfs/dbraw/zinc/53/01/22/1122530122.db2.gz UJTCOZKGGSUSCU-UHFFFAOYSA-N 0 1 272.323 3.633 20 0 CHADMN CCc1cc(OCc2ccc3nc(C)[nH]c3c2)ccc1C=O ZINC001190291199 1122532732 /nfs/dbraw/zinc/53/27/32/1122532732.db2.gz YYTHQBLNBRDISL-UHFFFAOYSA-N 0 1 294.354 3.825 20 0 CHADMN CC(C)CN(Cc1nc(C(C)(C)C)co1)C(C)C ZINC001190332035 1122533420 /nfs/dbraw/zinc/53/34/20/1122533420.db2.gz NSHKCVQKXGPURJ-UHFFFAOYSA-N 0 1 252.402 3.839 20 0 CHADMN C[C@H](NCc1cc2c(cccc2F)[nH]1)c1ccccn1 ZINC000436293550 1122534099 /nfs/dbraw/zinc/53/40/99/1122534099.db2.gz VLWVBYZIMQHPFW-NSHDSACASA-N 0 1 269.323 3.553 20 0 CHADMN C[C@H](c1ccccc1F)N(C)CCN1CCc2ccccc21 ZINC001190393246 1122534602 /nfs/dbraw/zinc/53/46/02/1122534602.db2.gz ZIGMNMKGCNROAK-OAHLLOKOSA-N 0 1 298.405 3.881 20 0 CHADMN CN(C)c1cccc(CN2CCC[C@@H]2c2ccsc2)n1 ZINC001190349346 1122535367 /nfs/dbraw/zinc/53/53/67/1122535367.db2.gz VLCNBEHAEKIQRY-OAHLLOKOSA-N 0 1 287.432 3.546 20 0 CHADMN COc1c(F)cc(F)cc1CN1CCCCCCC1 ZINC001143561138 1122539874 /nfs/dbraw/zinc/53/98/74/1122539874.db2.gz KOAPMYMZTJAQPG-UHFFFAOYSA-N 0 1 269.335 3.740 20 0 CHADMN C[C@H]1COCCN1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001138681598 1129061534 /nfs/dbraw/zinc/06/15/34/1129061534.db2.gz FJJQCZXNCDMYGP-AWEZNQCLSA-N 0 1 285.362 3.713 20 0 CHADMN Cc1nc(CN(C)CC(C)C)sc1C(C)(C)C ZINC001190597529 1122547647 /nfs/dbraw/zinc/54/76/47/1122547647.db2.gz NSHWDYMZZWAERV-UHFFFAOYSA-N 0 1 254.443 3.837 20 0 CHADMN C[C@H](C1CC1)N(Cc1noc2c1CC(C)(C)CC2)C1CC1 ZINC001190673601 1122551788 /nfs/dbraw/zinc/55/17/88/1122551788.db2.gz KILKPNSUFRMNRA-GFCCVEGCSA-N 0 1 288.435 3.952 20 0 CHADMN CCc1ccc(CC)c(NC(=O)c2c(O)cccc2F)c1 ZINC000436514432 1122556998 /nfs/dbraw/zinc/55/69/98/1122556998.db2.gz OZDSEXSNWRXNTK-UHFFFAOYSA-N 0 1 287.334 3.908 20 0 CHADMN C[C@H]1CN(Cc2cc(O)c(Cl)c(F)c2F)C2(CC2)C1 ZINC001250410704 1122560901 /nfs/dbraw/zinc/56/09/01/1122560901.db2.gz NGBBMHCTTQFCQN-MRVPVSSYSA-N 0 1 287.737 3.698 20 0 CHADMN CC(C)c1cnc(NC(=O)c2ccc(Cl)cc2O)s1 ZINC000436569011 1122562085 /nfs/dbraw/zinc/56/20/85/1122562085.db2.gz YTCFOFSHRGINBF-UHFFFAOYSA-N 0 1 296.779 3.878 20 0 CHADMN CC(C)=CCCN1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC001190967174 1122562488 /nfs/dbraw/zinc/56/24/88/1122562488.db2.gz SATBSGFYYNVUEF-QGZVFWFLSA-N 0 1 287.403 3.551 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)CC2CCCC2)c1 ZINC000436652336 1122567557 /nfs/dbraw/zinc/56/75/57/1122567557.db2.gz MDSDGYFFMKILKL-UHFFFAOYSA-N 0 1 275.348 3.504 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C2=CCCCCC2)c1 ZINC000436651004 1122568010 /nfs/dbraw/zinc/56/80/10/1122568010.db2.gz CJUJRVSCPIZHEE-UHFFFAOYSA-N 0 1 287.359 3.814 20 0 CHADMN COC(=O)/C(C)=C\CN[C@H](c1ccccc1Cl)C(C)C ZINC000775434599 1122570508 /nfs/dbraw/zinc/57/05/08/1122570508.db2.gz OERMPGPROZNGRZ-LMRWQKIVSA-N 0 1 295.810 3.746 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)CC2(C)CCCCC2)c1 ZINC000436678166 1122571990 /nfs/dbraw/zinc/57/19/90/1122571990.db2.gz FQDYHWZXNRHENG-UHFFFAOYSA-N 0 1 289.375 3.894 20 0 CHADMN O=C(Nc1cccc2[nH]ccc21)c1ccc(Cl)cc1O ZINC000436733907 1122577660 /nfs/dbraw/zinc/57/76/60/1122577660.db2.gz ZMUAKPJEXXEDCC-UHFFFAOYSA-N 0 1 286.718 3.779 20 0 CHADMN O=C(NCC1CCCC1)c1c(O)cc(Cl)cc1Cl ZINC000436762402 1122578990 /nfs/dbraw/zinc/57/89/90/1122578990.db2.gz RWHSZGPFNQZGPC-UHFFFAOYSA-N 0 1 288.174 3.619 20 0 CHADMN COCCN(Cc1cc(C(C)(C)C)on1)[C@H]1CC[C@H](C)C1 ZINC000516216798 1122579653 /nfs/dbraw/zinc/57/96/53/1122579653.db2.gz SOPNVDBIOGLCPH-ZFWWWQNUSA-N 0 1 294.439 3.609 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H](C)Cc1ccccc1 ZINC000436749548 1122580209 /nfs/dbraw/zinc/58/02/09/1122580209.db2.gz ZAINQTIJBDPQRV-ZDUSSCGKSA-N 0 1 293.370 3.689 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2ccn(CCc3ccccc3)n2)C1 ZINC001191194486 1122580912 /nfs/dbraw/zinc/58/09/12/1122580912.db2.gz SQXAXQOVHDRVAN-IAGOWNOFSA-N 0 1 297.446 3.746 20 0 CHADMN C[C@H]1CCCC[N@H+]1Cc1nc2ccc(Cl)cc2n1C ZINC000505880935 1122581856 /nfs/dbraw/zinc/58/18/56/1122581856.db2.gz AOXBMWWEEXDOAE-NSHDSACASA-N 0 1 277.799 3.601 20 0 CHADMN C[C@H]1CCCCN1Cc1nc2ccc(Cl)cc2n1C ZINC000505880935 1122581860 /nfs/dbraw/zinc/58/18/60/1122581860.db2.gz AOXBMWWEEXDOAE-NSHDSACASA-N 0 1 277.799 3.601 20 0 CHADMN C[C@@H]1CCCC[N@H+]1Cc1nc2ccc(Cl)cc2n1C ZINC000505880934 1122582205 /nfs/dbraw/zinc/58/22/05/1122582205.db2.gz AOXBMWWEEXDOAE-LLVKDONJSA-N 0 1 277.799 3.601 20 0 CHADMN C[C@@H]1CCCCN1Cc1nc2ccc(Cl)cc2n1C ZINC000505880934 1122582209 /nfs/dbraw/zinc/58/22/09/1122582209.db2.gz AOXBMWWEEXDOAE-LLVKDONJSA-N 0 1 277.799 3.601 20 0 CHADMN COC[C@H](NC/C=C\Cl)c1cccc(C(F)(F)F)c1 ZINC000775442690 1122582304 /nfs/dbraw/zinc/58/23/04/1122582304.db2.gz IGHIGBSUSJXOIW-RYBZSIHZSA-N 0 1 293.716 3.735 20 0 CHADMN CC(C)[C@H]1CN(Cc2nsc3ccccc32)CCS1 ZINC001191223480 1122586124 /nfs/dbraw/zinc/58/61/24/1122586124.db2.gz OJKIRIYJDVBACY-OAHLLOKOSA-N 0 1 292.473 3.870 20 0 CHADMN Fc1cccc(OCCNC2(c3ccccc3F)CC2)c1 ZINC000775449100 1122591302 /nfs/dbraw/zinc/59/13/02/1122591302.db2.gz WIRASCVPNXLFQB-UHFFFAOYSA-N 0 1 289.325 3.623 20 0 CHADMN CCc1noc(-c2cc(Cl)c3ccccc3c2O)n1 ZINC000436893163 1122592687 /nfs/dbraw/zinc/59/26/87/1122592687.db2.gz ODRDDMCIYQLJKB-UHFFFAOYSA-N 0 1 274.707 3.811 20 0 CHADMN O=C(Nc1ccc2ccccc2n1)c1cc(Cl)ccc1O ZINC000436909414 1122593677 /nfs/dbraw/zinc/59/36/77/1122593677.db2.gz LPTNFNZKBNZEAJ-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(C(=O)c1c(O)cccc1F)C1CC1 ZINC000436988792 1122600959 /nfs/dbraw/zinc/60/09/59/1122600959.db2.gz MQTDMXOJAPDZNR-GHMZBOCLSA-N 0 1 279.355 3.571 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1cccc(C(C)C)c1 ZINC000437008126 1122602863 /nfs/dbraw/zinc/60/28/63/1122602863.db2.gz NGFNCGPREISCOQ-CQSZACIVSA-N 0 1 269.392 3.759 20 0 CHADMN Cc1nc(C[N@H+](C)[C@@H](C)Cc2cccs2)c(C)s1 ZINC001191463524 1122603220 /nfs/dbraw/zinc/60/32/20/1122603220.db2.gz DQVKWQARBKHRMI-JTQLQIEISA-N 0 1 280.462 3.884 20 0 CHADMN Cc1nc(CN(C)[C@@H](C)Cc2cccs2)c(C)s1 ZINC001191463524 1122603223 /nfs/dbraw/zinc/60/32/23/1122603223.db2.gz DQVKWQARBKHRMI-JTQLQIEISA-N 0 1 280.462 3.884 20 0 CHADMN CC[C@@H]1CCCN1Cc1cccc(F)c1Br ZINC000158005526 1122611327 /nfs/dbraw/zinc/61/13/27/1122611327.db2.gz BELZFSUIWPHMHI-LLVKDONJSA-N 0 1 286.188 3.963 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H]1CCCc2sccc21 ZINC000437084978 1122612630 /nfs/dbraw/zinc/61/26/30/1122612630.db2.gz YLSZJBGLQRMNHP-BXUZGUMPSA-N 0 1 288.416 3.880 20 0 CHADMN CCOC(C)(C)CN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000437084904 1122612662 /nfs/dbraw/zinc/61/26/62/1122612662.db2.gz XTLIDPHPAWYRBO-QMMMGPOBSA-N 0 1 296.358 3.628 20 0 CHADMN CCCc1cc(C(=O)N2CCCC[C@@H]2CC2CCC2)n[nH]1 ZINC000620573772 1129066600 /nfs/dbraw/zinc/06/66/00/1129066600.db2.gz RJKRVZTVAXTPSH-OAHLLOKOSA-N 0 1 289.423 3.547 20 0 CHADMN FCCNCc1ccc(Sc2ccccc2)cc1 ZINC000437254498 1122622700 /nfs/dbraw/zinc/62/27/00/1122622700.db2.gz WJOYYAZELYCADL-UHFFFAOYSA-N 0 1 261.365 3.897 20 0 CHADMN CC(C)CC[C@@H]1CCCN1Cc1nccn1CC(F)F ZINC001192174706 1122633468 /nfs/dbraw/zinc/63/34/68/1122633468.db2.gz TWYOUHAXVMIXMC-ZDUSSCGKSA-N 0 1 285.382 3.549 20 0 CHADMN CN(Cc1cccs1)Cc1c[nH]nc1-c1ccsc1 ZINC000437580716 1122639860 /nfs/dbraw/zinc/63/98/60/1122639860.db2.gz VAZOUKFEHSXGIU-UHFFFAOYSA-N 0 1 289.429 3.832 20 0 CHADMN CCC(CC)n1ccc(CN2C[C@H](C)CC[C@@H]2C)n1 ZINC000437566366 1122640229 /nfs/dbraw/zinc/64/02/29/1122640229.db2.gz FTLDJKOMWLJUHD-KGLIPLIRSA-N 0 1 263.429 3.865 20 0 CHADMN Fc1ccc2c(c1)CN(Cc1ccc3cc[nH]c3c1)CC2 ZINC001192350018 1122640763 /nfs/dbraw/zinc/64/07/63/1122640763.db2.gz YGWKOXXPEUOGFS-UHFFFAOYSA-N 0 1 280.346 3.865 20 0 CHADMN CC[C@H]1CO[C@@H](C)CN1Cc1ccc2nc(C)ccc2c1 ZINC000437583892 1122643729 /nfs/dbraw/zinc/64/37/29/1122643729.db2.gz UMILSTDOBMBXLX-YOEHRIQHSA-N 0 1 284.403 3.543 20 0 CHADMN COc1ccc(CN(Cc2cccc(F)c2)C(C)C)cn1 ZINC000437585378 1122644267 /nfs/dbraw/zinc/64/42/67/1122644267.db2.gz WDMJOXRLKCCDOB-UHFFFAOYSA-N 0 1 288.366 3.640 20 0 CHADMN Cc1ccc(CN2CC[C@@H](Oc3cc(F)ccc3F)C2)o1 ZINC001203293979 1122647353 /nfs/dbraw/zinc/64/73/53/1122647353.db2.gz NMUHRSBRIKRMBH-CQSZACIVSA-N 0 1 293.313 3.520 20 0 CHADMN C[C@@H]1CN(CC(=O)c2ccccc2F)[C@@H]2CCCC[C@H]21 ZINC001192481462 1122649711 /nfs/dbraw/zinc/64/97/11/1122649711.db2.gz MYKVAIRNMSLODM-DVOMOZLQSA-N 0 1 275.367 3.519 20 0 CHADMN C[C@@H]1CCN(CCc2ccc(Cl)cc2)C[C@H]1F ZINC001192546266 1122651773 /nfs/dbraw/zinc/65/17/73/1122651773.db2.gz LMZRQFDCIHCKJD-BXUZGUMPSA-N 0 1 255.764 3.562 20 0 CHADMN CC[C@H]1CO[C@@H](C)CN1CCCOc1ccc(C)c(C)c1 ZINC000506119812 1122653146 /nfs/dbraw/zinc/65/31/46/1122653146.db2.gz ASXSBHVDHBOBEZ-IRXDYDNUSA-N 0 1 291.435 3.572 20 0 CHADMN CN(CCc1ccccc1O)Cc1ccc(Cl)cc1F ZINC000437781292 1122654377 /nfs/dbraw/zinc/65/43/77/1122654377.db2.gz WONKOSZERDBOKP-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN COc1ccnc(CN[C@@H](C)c2cc(C)ccc2C)c1 ZINC001193012866 1122670114 /nfs/dbraw/zinc/67/01/14/1122670114.db2.gz VOARLBINVXPSCN-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CC[C@H](O)[C@H]1CCCCN1Cc1ccc(Cl)cc1F ZINC000438123660 1122680418 /nfs/dbraw/zinc/68/04/18/1122680418.db2.gz YLPHSDDFJKGNGM-CABCVRRESA-N 0 1 285.790 3.605 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C)C(C)(C)C2)nc1Cl ZINC001193208767 1122681146 /nfs/dbraw/zinc/68/11/46/1122681146.db2.gz DBDBTGCHNGMYPQ-GFCCVEGCSA-N 0 1 266.816 3.911 20 0 CHADMN OCC[C@@H](NCc1ccc(Cl)s1)c1cccs1 ZINC001193240625 1122681864 /nfs/dbraw/zinc/68/18/64/1122681864.db2.gz VRDOIAMXSATQNO-SNVBAGLBSA-N 0 1 287.837 3.676 20 0 CHADMN Brc1ccc2c(c1)CCN(CCCC1CC1)C2 ZINC001193346600 1122685820 /nfs/dbraw/zinc/68/58/20/1122685820.db2.gz WFQHJONQKRTJLG-UHFFFAOYSA-N 0 1 294.236 3.997 20 0 CHADMN CC[C@H]1CC[C@H](C(=O)NCc2nc3cccc(C)c3[nH]2)CC1 ZINC000438268862 1122688848 /nfs/dbraw/zinc/68/88/48/1122688848.db2.gz GLHZJPFYTUICKQ-HDJSIYSDSA-N 0 1 299.418 3.704 20 0 CHADMN CC1(C)CCCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000438351495 1122692543 /nfs/dbraw/zinc/69/25/43/1122692543.db2.gz HFFYQRWUVCPUJR-UHFFFAOYSA-N 0 1 257.381 3.575 20 0 CHADMN Cc1cc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)cc2cccnc12 ZINC000438360668 1122692978 /nfs/dbraw/zinc/69/29/78/1122692978.db2.gz WPIVBVXIPVORJB-SOUVJXGZSA-N 0 1 284.403 3.541 20 0 CHADMN CCOC(=O)[C@@H](CC)N(CCCC(C)(C)C)C1CC1 ZINC001193565466 1122697749 /nfs/dbraw/zinc/69/77/49/1122697749.db2.gz XZLSSTAMDULQDG-CQSZACIVSA-N 0 1 269.429 3.619 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CC[C@H](C(C)C)C1 ZINC000438498792 1122704435 /nfs/dbraw/zinc/70/44/35/1122704435.db2.gz VOAWBMWTGACJNS-ZDUSSCGKSA-N 0 1 289.398 3.673 20 0 CHADMN CCCC(C)(C)N(CC(C)=O)Cc1cccs1 ZINC001193735637 1122711050 /nfs/dbraw/zinc/71/10/50/1122711050.db2.gz STOHGBBXIYRKKK-UHFFFAOYSA-N 0 1 253.411 3.718 20 0 CHADMN CCc1c2ccccc2oc1[C@H](C)NCc1cncn1C ZINC000263852060 1129072844 /nfs/dbraw/zinc/07/28/44/1129072844.db2.gz OSUIROFXLKQAQV-LBPRGKRZSA-N 0 1 283.375 3.580 20 0 CHADMN C[C@H](Oc1cccc2[nH]nnc21)c1csc(Cl)c1 ZINC001225990489 1122715783 /nfs/dbraw/zinc/71/57/83/1122715783.db2.gz AEWSQAVEXGNSLC-ZETCQYMHSA-N 0 1 279.752 3.813 20 0 CHADMN Cc1ccc(CN2CCO[C@@H](c3ccccc3)C2)c(C)c1 ZINC000506338805 1122721937 /nfs/dbraw/zinc/72/19/37/1122721937.db2.gz HAYGXKUGYFPXGZ-LJQANCHMSA-N 0 1 281.399 3.877 20 0 CHADMN C[C@H](CN1CC(C)(C)[C@H]1c1nccn1C)c1ccccc1 ZINC000294795516 1122735632 /nfs/dbraw/zinc/73/56/32/1122735632.db2.gz MIJRZSICBLNMLS-GDBMZVCRSA-N 0 1 283.419 3.607 20 0 CHADMN Cc1ccccc1OCCCN1CCO[C@H](C(C)(C)C)C1 ZINC001194010737 1122738245 /nfs/dbraw/zinc/73/82/45/1122738245.db2.gz ZKPIMSGYIWCMAJ-KRWDZBQOSA-N 0 1 291.435 3.511 20 0 CHADMN C[C@H]1CCCC[C@H]1OCC[N@H+]1CCOC2(CCCCC2)C1 ZINC001194058037 1122743743 /nfs/dbraw/zinc/74/37/43/1122743743.db2.gz HZNGXNSPSVQBHA-DLBZAZTESA-N 0 1 295.467 3.617 20 0 CHADMN C[C@H]1CCCC[C@H]1OCCN1CCOC2(CCCCC2)C1 ZINC001194058037 1122743750 /nfs/dbraw/zinc/74/37/50/1122743750.db2.gz HZNGXNSPSVQBHA-DLBZAZTESA-N 0 1 295.467 3.617 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCOC2(CCCCC2)C1 ZINC001194058043 1122743958 /nfs/dbraw/zinc/74/39/58/1122743958.db2.gz HZNGXNSPSVQBHA-SJORKVTESA-N 0 1 295.467 3.617 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCCN1CCOC2(CCCCC2)C1 ZINC001194058043 1122743963 /nfs/dbraw/zinc/74/39/63/1122743963.db2.gz HZNGXNSPSVQBHA-SJORKVTESA-N 0 1 295.467 3.617 20 0 CHADMN CC(C)(C)[C@@H]1CN(C[C@H]2CCC3(CCCCC3)O2)CCO1 ZINC000578410670 1122751921 /nfs/dbraw/zinc/75/19/21/1122751921.db2.gz OLHRHKBFFMOYKK-CVEARBPZSA-N 0 1 295.467 3.615 20 0 CHADMN CC(C)(C)[C@H]1CN(C[C@H]2CCC3(CCCCC3)O2)CCO1 ZINC000578410672 1122752352 /nfs/dbraw/zinc/75/23/52/1122752352.db2.gz OLHRHKBFFMOYKK-HZPDHXFCSA-N 0 1 295.467 3.615 20 0 CHADMN Cc1ccsc1CCCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000439110070 1122753036 /nfs/dbraw/zinc/75/30/36/1122753036.db2.gz IFHHUADNLNKHFJ-UHFFFAOYSA-N 0 1 299.399 3.894 20 0 CHADMN Cc1ccccc1[C@@H](N[C@@H](C)c1cn(C(C)C)nn1)C1CC1 ZINC000925046506 1122753107 /nfs/dbraw/zinc/75/31/07/1122753107.db2.gz QXVRBWOASKIFAA-KSSFIOAISA-N 0 1 298.434 3.969 20 0 CHADMN Cc1nnsc1CN[C@@H](c1ccccc1)C1CCCC1 ZINC000426293124 1122757690 /nfs/dbraw/zinc/75/76/90/1122757690.db2.gz XDIMJBDPMNXTSO-INIZCTEOSA-N 0 1 287.432 3.868 20 0 CHADMN C[C@H]1CC(C)(C)CC[C@H]1NCc1ncn(-c2ccccc2)n1 ZINC000340524803 1122762550 /nfs/dbraw/zinc/76/25/50/1122762550.db2.gz KSQITGTYTZBGOV-GOEBONIOSA-N 0 1 298.434 3.572 20 0 CHADMN Cc1cnc(CN2CC[C@H](c3ccccc3)C[C@@H]2C)nc1 ZINC000439314675 1122769761 /nfs/dbraw/zinc/76/97/61/1122769761.db2.gz HEFKSJPTLGRPSQ-RDJZCZTQSA-N 0 1 281.403 3.553 20 0 CHADMN c1ccc2[nH]c(CN3CCCc4ccccc4CC3)nc2c1 ZINC001194401963 1122772609 /nfs/dbraw/zinc/77/26/09/1122772609.db2.gz YRHRQQVZPYMPGG-UHFFFAOYSA-N 0 1 291.398 3.554 20 0 CHADMN COc1ccc2c(c1)CN(Cc1ccc(C)cc1C)CCO2 ZINC001194418091 1122774274 /nfs/dbraw/zinc/77/42/74/1122774274.db2.gz OKBNSALLKOYRJK-UHFFFAOYSA-N 0 1 297.398 3.707 20 0 CHADMN C[C@@H]1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1(F)F ZINC000426383748 1122779867 /nfs/dbraw/zinc/77/98/67/1122779867.db2.gz WEVAHNANIGOLFS-GFCCVEGCSA-N 0 1 291.345 3.554 20 0 CHADMN COc1ccsc1CN(C)Cc1cccc2[nH]ccc21 ZINC000426388712 1122780491 /nfs/dbraw/zinc/78/04/91/1122780491.db2.gz AIPDCBXIYBZWSY-UHFFFAOYSA-N 0 1 286.400 3.870 20 0 CHADMN CCCn1cc(CN(C)C/C(C)=C/c2ccccc2)cn1 ZINC000426392212 1122781277 /nfs/dbraw/zinc/78/12/77/1122781277.db2.gz XSUDMEVYOCRQGQ-LFIBNONCSA-N 0 1 283.419 3.828 20 0 CHADMN O=C(CC1CCC1)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000153790837 1129077592 /nfs/dbraw/zinc/07/75/92/1129077592.db2.gz VFFGXSUKQSYXHD-UHFFFAOYSA-N 0 1 297.280 3.710 20 0 CHADMN COCC(C)(C)CN1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000426404706 1122786369 /nfs/dbraw/zinc/78/63/69/1122786369.db2.gz JHYYTHOIBZGERS-NSHDSACASA-N 0 1 283.362 3.557 20 0 CHADMN CCCc1csc(CN2CCCC[C@H](SC)C2)n1 ZINC000426414130 1122788159 /nfs/dbraw/zinc/78/81/59/1122788159.db2.gz AWMMJAKRSDIBKP-ZDUSSCGKSA-N 0 1 284.494 3.813 20 0 CHADMN CCC(CC)COC(=O)Nc1cc(F)c(O)c(F)c1 ZINC001194708774 1122796795 /nfs/dbraw/zinc/79/67/95/1122796795.db2.gz JCUKMOBNONFXJC-UHFFFAOYSA-N 0 1 273.279 3.655 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H]3CCC[C@H]32)cs1 ZINC000426469124 1122799212 /nfs/dbraw/zinc/79/92/12/1122799212.db2.gz HHPIOBVPZHLBRT-WCQYABFASA-N 0 1 250.411 3.641 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1ccc(Cl)o1)CC2 ZINC000439775137 1122803229 /nfs/dbraw/zinc/80/32/29/1122803229.db2.gz MQMUOHWODNKFIG-UHFFFAOYSA-N 0 1 291.778 3.542 20 0 CHADMN COc1ccc(CN2CCc3sccc3[C@@H]2C)cc1 ZINC000506736365 1122818581 /nfs/dbraw/zinc/81/85/81/1122818581.db2.gz QZFFOMQOCWCKQK-LBPRGKRZSA-N 0 1 273.401 3.876 20 0 CHADMN COC(C)(C)Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC001250613183 1122828876 /nfs/dbraw/zinc/82/88/76/1122828876.db2.gz FPYYDRADNVHLPG-UHFFFAOYSA-N 0 1 290.260 3.688 20 0 CHADMN Cc1ccccc1CCCSc1nc(C2CC2)n[nH]1 ZINC000440202149 1122830641 /nfs/dbraw/zinc/83/06/41/1122830641.db2.gz YLYNPLGCYIXRAO-UHFFFAOYSA-N 0 1 273.405 3.715 20 0 CHADMN Cc1ccccc1CCCSc1n[nH]c(C2CC2)n1 ZINC000440202149 1122830643 /nfs/dbraw/zinc/83/06/43/1122830643.db2.gz YLYNPLGCYIXRAO-UHFFFAOYSA-N 0 1 273.405 3.715 20 0 CHADMN Cc1cc(-c2noc([C@H]3CCC3(C)C)n2)cc2nc[nH]c21 ZINC000664795771 1122835859 /nfs/dbraw/zinc/83/58/59/1122835859.db2.gz VGCNJUJPCNKOSP-LLVKDONJSA-N 0 1 282.347 3.825 20 0 CHADMN C[C@H]1CCN(Cc2csc(CCc3ccccc3)n2)C1 ZINC000440326572 1122837464 /nfs/dbraw/zinc/83/74/64/1122837464.db2.gz OVEOCWKJKVNINH-AWEZNQCLSA-N 0 1 286.444 3.770 20 0 CHADMN Cc1cc(CN2CCC[C@@]3(CCCc4ccccc43)C2)no1 ZINC000440322530 1122838121 /nfs/dbraw/zinc/83/81/21/1122838121.db2.gz DYFPHNOWXUGQBS-IBGZPJMESA-N 0 1 296.414 3.853 20 0 CHADMN C[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCC[C@H]1O ZINC001203803998 1122847984 /nfs/dbraw/zinc/84/79/84/1122847984.db2.gz JSDXBIPGDGCSEB-IINYFYTJSA-N 0 1 288.218 3.586 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000633665925 1129082153 /nfs/dbraw/zinc/08/21/53/1129082153.db2.gz JJEYFHQVMPKEER-UHFFFAOYSA-N 0 1 298.390 3.579 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1cccc2c1NCCC2 ZINC000894423456 1122850398 /nfs/dbraw/zinc/85/03/98/1122850398.db2.gz SDNLVGAWIZPYKG-CQSZACIVSA-N 0 1 281.403 3.633 20 0 CHADMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1ocnc1C ZINC000894420490 1122850871 /nfs/dbraw/zinc/85/08/71/1122850871.db2.gz NNGHNWXXKZKBMH-ABAIWWIYSA-N 0 1 294.782 3.502 20 0 CHADMN CCOc1ccc(CNCc2ccc3[nH]c(C)cc3c2)o1 ZINC000894434744 1122852924 /nfs/dbraw/zinc/85/29/24/1122852924.db2.gz FLTNUCRVCVIKCZ-UHFFFAOYSA-N 0 1 284.359 3.758 20 0 CHADMN CCC[C@H](C)C[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000775646155 1122854410 /nfs/dbraw/zinc/85/44/10/1122854410.db2.gz UPDJZJZEIXADOY-AWEZNQCLSA-N 0 1 289.419 3.723 20 0 CHADMN c1cncc([C@@H]2CCCN2Cc2nccc3c2CCCC3)c1 ZINC000894447604 1122854606 /nfs/dbraw/zinc/85/46/06/1122854606.db2.gz CCQQHBFTBIFQBR-IBGZPJMESA-N 0 1 293.414 3.693 20 0 CHADMN Cc1cccc2c1CC[C@@H]2N[C@H](C)c1cn2ccccc2n1 ZINC000519548226 1122856716 /nfs/dbraw/zinc/85/67/16/1122856716.db2.gz JDJRPZUIOQGDRF-PBHICJAKSA-N 0 1 291.398 3.981 20 0 CHADMN Cc1nc([C@@H](C)NCc2ccc(Cl)c(C)c2Cl)n[nH]1 ZINC000894466446 1122859710 /nfs/dbraw/zinc/85/97/10/1122859710.db2.gz AUNPJKMQYBTOCL-MRVPVSSYSA-N 0 1 299.205 3.579 20 0 CHADMN C[C@@H]1CN(Cc2nccc(Cl)c2Cl)[C@@H](C)[C@H]1C ZINC001195289229 1122861319 /nfs/dbraw/zinc/86/13/19/1122861319.db2.gz LDPCEESKPZCJRK-UTLUCORTSA-N 0 1 273.207 3.865 20 0 CHADMN CO[C@@H](CC(C)C)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664822624 1122863563 /nfs/dbraw/zinc/86/35/63/1122863563.db2.gz WFKCHCVKCNWRFT-HOTGVXAUSA-N 0 1 276.424 3.526 20 0 CHADMN CN(CCN1CC(C)(C)[C@@H]1c1cccnc1)c1ccccc1 ZINC000664826720 1122868676 /nfs/dbraw/zinc/86/86/76/1122868676.db2.gz XGRMAQHKZVFCBF-SFHVURJKSA-N 0 1 295.430 3.601 20 0 CHADMN Oc1ccc(CNCc2ccc(C3CC3)cc2F)cc1F ZINC000894582272 1122875992 /nfs/dbraw/zinc/87/59/92/1122875992.db2.gz MZFXEKRIPQBCPB-UHFFFAOYSA-N 0 1 289.325 3.838 20 0 CHADMN C[C@@]1(CO)CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC001203811795 1122878135 /nfs/dbraw/zinc/87/81/35/1122878135.db2.gz YAPZUOIIFJKMBK-LJQANCHMSA-N 0 1 297.398 3.683 20 0 CHADMN CSC[C@H]1CCCN(Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000894599591 1122879002 /nfs/dbraw/zinc/87/90/02/1122879002.db2.gz ZABFSRHTJWWKGZ-JTQLQIEISA-N 0 1 299.871 3.516 20 0 CHADMN Clc1cc(Cl)cc(CN2CC[C@H]3OCC[C@@H]3C2)c1 ZINC001203811403 1122880417 /nfs/dbraw/zinc/88/04/17/1122880417.db2.gz VXLNKZWPKNJPDB-BXUZGUMPSA-N 0 1 286.202 3.604 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)C[C@@H](O)C1CCCCC1 ZINC000473738447 1122884040 /nfs/dbraw/zinc/88/40/40/1122884040.db2.gz BFSPXJGWENEGDI-YVEFUNNKSA-N 0 1 297.389 3.899 20 0 CHADMN CC[C@@H]1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)C1 ZINC000440468637 1122893411 /nfs/dbraw/zinc/89/34/11/1122893411.db2.gz JBRGFQZLHFGDSU-CQSZACIVSA-N 0 1 297.402 3.566 20 0 CHADMN CC(C)(NCc1csc(C(F)(F)F)n1)C1CCC1 ZINC000894723766 1122899621 /nfs/dbraw/zinc/89/96/21/1122899621.db2.gz UHRXAEQNLHJGSK-UHFFFAOYSA-N 0 1 278.343 3.830 20 0 CHADMN c1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)c2c(c1)CCCN2 ZINC000894760430 1122901365 /nfs/dbraw/zinc/90/13/65/1122901365.db2.gz FUIKCQRKGHXAFZ-GOSISDBHSA-N 0 1 293.414 3.777 20 0 CHADMN Cc1cncc(CN(Cc2cccc(C)c2C)C2CC2)n1 ZINC001203174657 1122905334 /nfs/dbraw/zinc/90/53/34/1122905334.db2.gz BPVHNSIMYFWGMF-UHFFFAOYSA-N 0 1 281.403 3.566 20 0 CHADMN CC(C)c1c[nH]c(CN(C)C2CCC(F)(F)CC2)n1 ZINC000894784698 1122905922 /nfs/dbraw/zinc/90/59/22/1122905922.db2.gz NFKVIPOUTGEKEX-UHFFFAOYSA-N 0 1 271.355 3.543 20 0 CHADMN Cc1cc(C[NH2+][C@H](C(=O)[O-])c2cccs2)ccc1Cl ZINC000426823869 1122917944 /nfs/dbraw/zinc/91/79/44/1122917944.db2.gz FHXHYQJILDAWRO-ZDUSSCGKSA-N 0 1 295.791 3.625 20 0 CHADMN CCC(CC)CCCN(C)[C@@H](C)C(=O)OC(C)(C)C ZINC001196506196 1122923886 /nfs/dbraw/zinc/92/38/86/1122923886.db2.gz MWBIKXMQQVYKDB-ZDUSSCGKSA-N 0 1 271.445 3.865 20 0 CHADMN C[C@]12CCCC[C@H]1CN2Cc1cccc2c1OC(F)(F)O2 ZINC001196667535 1122930116 /nfs/dbraw/zinc/93/01/16/1122930116.db2.gz USVWNQIYDRHZHE-WFASDCNBSA-N 0 1 295.329 3.773 20 0 CHADMN CCCn1cc(CN(CC)Cc2ccc(Cl)cc2)cn1 ZINC000507175097 1122936312 /nfs/dbraw/zinc/93/63/12/1122936312.db2.gz UTTKNLIZEVJWHY-UHFFFAOYSA-N 0 1 291.826 3.969 20 0 CHADMN C[C@H]1CCN(Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000507201107 1122936734 /nfs/dbraw/zinc/93/67/34/1122936734.db2.gz DPCHMYSHYWMQII-NSHDSACASA-N 0 1 276.767 3.837 20 0 CHADMN FC(F)(F)C1CCC(=Nc2cn3ccccc3n2)CC1 ZINC001196890531 1122937317 /nfs/dbraw/zinc/93/73/17/1122937317.db2.gz UACVXCDPRFNLRM-JTQLQIEISA-N 0 1 281.281 3.993 20 0 CHADMN COc1cc(C[N@H+]2CCC23CCC3)c(SC)cc1OC ZINC000353667022 1122937460 /nfs/dbraw/zinc/93/74/60/1122937460.db2.gz RDDPGTMZFBSIIN-UHFFFAOYSA-N 0 1 293.432 3.554 20 0 CHADMN COc1cc(CN2CCC23CCC3)c(SC)cc1OC ZINC000353667022 1122937464 /nfs/dbraw/zinc/93/74/64/1122937464.db2.gz RDDPGTMZFBSIIN-UHFFFAOYSA-N 0 1 293.432 3.554 20 0 CHADMN CCN(Cc1ccccc1Cl)[C@@H](CO)c1ccccc1 ZINC001197256314 1122949260 /nfs/dbraw/zinc/94/92/60/1122949260.db2.gz PNOSXQLIQANNIU-KRWDZBQOSA-N 0 1 289.806 3.896 20 0 CHADMN Cc1c(C)c(C)c(CN2CCc3ncncc3C2)c(C)c1C ZINC001197255935 1122949306 /nfs/dbraw/zinc/94/93/06/1122949306.db2.gz MFHVSWKGUJKFRR-UHFFFAOYSA-N 0 1 295.430 3.577 20 0 CHADMN COc1ccc([C@@H]2COCCN2CC2CCCCC2)cc1 ZINC001197230734 1122949568 /nfs/dbraw/zinc/94/95/68/1122949568.db2.gz PUIFSSKBSIEGKN-SFHVURJKSA-N 0 1 289.419 3.649 20 0 CHADMN CSCc1cnc(CN(CC(C)C)C2CC2)s1 ZINC000507359205 1122950257 /nfs/dbraw/zinc/95/02/57/1122950257.db2.gz OXZPEKKBBPJKOT-UHFFFAOYSA-N 0 1 270.467 3.627 20 0 CHADMN Cc1noc(C(C)C)c1C(=O)Nc1nc2cccc(C)c2[nH]1 ZINC001197345906 1122953340 /nfs/dbraw/zinc/95/33/40/1122953340.db2.gz VMNABHXYMNORGU-UHFFFAOYSA-N 0 1 298.346 3.543 20 0 CHADMN O=C(Nc1ccccc1F)c1cc(-c2cccs2)n[nH]1 ZINC000078562798 1122964848 /nfs/dbraw/zinc/96/48/48/1122964848.db2.gz MLNDDGZQCZPUOC-UHFFFAOYSA-N 0 1 287.319 3.530 20 0 CHADMN Cc1cc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)cc(Cl)n1 ZINC001197719312 1122966772 /nfs/dbraw/zinc/96/67/72/1122966772.db2.gz HOGDCXXXCREMIM-AEFFLSMTSA-N 0 1 298.817 3.817 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)ncn2C)c1ccccc1F ZINC000775792137 1122971152 /nfs/dbraw/zinc/97/11/52/1122971152.db2.gz UHNYWKCWQIYFBF-GFCCVEGCSA-N 0 1 283.350 3.563 20 0 CHADMN Cc1ccc(NC(=S)Nc2ccc(F)c(F)c2O)cc1 ZINC001197933007 1122973918 /nfs/dbraw/zinc/97/39/18/1122973918.db2.gz KHGRERKAAYJPNJ-UHFFFAOYSA-N 0 1 294.326 3.788 20 0 CHADMN COc1ccc(F)cc1CN[C@H](C)c1ccc2n[nH]cc2c1 ZINC000353221793 1122975267 /nfs/dbraw/zinc/97/52/67/1122975267.db2.gz ZYRNXKCIQJTULH-LLVKDONJSA-N 0 1 299.349 3.561 20 0 CHADMN CC1(C)C[C@H](NCc2ccncc2)c2ccc(F)cc2O1 ZINC000334278985 1122980590 /nfs/dbraw/zinc/98/05/90/1122980590.db2.gz PWEIXDKCFRDPIS-HNNXBMFYSA-N 0 1 286.350 3.613 20 0 CHADMN Cc1cc(C(=O)N2CCC[C@H]2CCC2CCCCC2)n[nH]1 ZINC000154696268 1129090877 /nfs/dbraw/zinc/09/08/77/1129090877.db2.gz QHTAAARGQKIQKL-HNNXBMFYSA-N 0 1 289.423 3.683 20 0 CHADMN CC1(C)CCN(Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000154690165 1129090959 /nfs/dbraw/zinc/09/09/59/1129090959.db2.gz FTHXAOQKAYNYNO-UHFFFAOYSA-N 0 1 292.329 3.852 20 0 CHADMN Cc1ccc(CNCc2ccc(CC(C)C)nc2)nc1C ZINC000894854393 1122983888 /nfs/dbraw/zinc/98/38/88/1122983888.db2.gz ABGLMBUCEZWCBK-UHFFFAOYSA-N 0 1 283.419 3.582 20 0 CHADMN CC(C)c1cnc(CN(C)[C@@H](C)Cc2cccs2)o1 ZINC000081573243 1122985004 /nfs/dbraw/zinc/98/50/04/1122985004.db2.gz WSVVYSWAEIDMLZ-LBPRGKRZSA-N 0 1 278.421 3.923 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C[C@@H]1CC1(Cl)Cl ZINC000775866309 1122995859 /nfs/dbraw/zinc/99/58/59/1122995859.db2.gz FLXAUCHWOXRMDJ-VGMNWLOBSA-N 0 1 290.156 3.843 20 0 CHADMN C[C@@]1(NCc2csc(C(F)(F)F)n2)CC=CCC1 ZINC000894867843 1123000295 /nfs/dbraw/zinc/00/02/95/1123000295.db2.gz SPBZSJIDRMAVAA-LLVKDONJSA-N 0 1 276.327 3.750 20 0 CHADMN CCOc1ccc(CN[C@H](CC)c2ccccc2)nc1 ZINC000664920466 1123003173 /nfs/dbraw/zinc/00/31/73/1123003173.db2.gz IXJOUVDVRPPEHH-QGZVFWFLSA-N 0 1 270.376 3.721 20 0 CHADMN CCCC[C@H](COC)NCc1cc(-c2ccccc2)on1 ZINC000154812290 1129092933 /nfs/dbraw/zinc/09/29/33/1129092933.db2.gz AXTGGKKNIPPNQZ-OAHLLOKOSA-N 0 1 288.391 3.636 20 0 CHADMN CCc1ccc2c(c1)CN(Cc1cc(C)cc(C)n1)CC2 ZINC001198851799 1123012173 /nfs/dbraw/zinc/01/21/73/1123012173.db2.gz KDZUTLHOMZLGPY-UHFFFAOYSA-N 0 1 280.415 3.819 20 0 CHADMN CC[C@H](F)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000440580455 1123015864 /nfs/dbraw/zinc/01/58/64/1123015864.db2.gz UHKURSMJOSIXAG-JTQLQIEISA-N 0 1 285.775 3.965 20 0 CHADMN CC[C@@H](F)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000440580456 1123015990 /nfs/dbraw/zinc/01/59/90/1123015990.db2.gz UHKURSMJOSIXAG-SNVBAGLBSA-N 0 1 285.775 3.965 20 0 CHADMN C/C(=C\c1nc(C2(N)CCC2)no1)c1cccc(Cl)c1 ZINC000519714217 1123020078 /nfs/dbraw/zinc/02/00/78/1123020078.db2.gz MDAVFBWWHHKFOF-CSKARUKUSA-N 0 1 289.766 3.621 20 0 CHADMN CC[C@@H](F)CN[C@@H](c1ccc(F)cc1F)C(C)C ZINC000440602734 1123023122 /nfs/dbraw/zinc/02/31/22/1123023122.db2.gz ZHQIXPDTKJMJOI-QMTHXVAHSA-N 0 1 259.315 4.000 20 0 CHADMN c1nc(CN2CCC[C@H]3CCCC[C@H]32)oc1C1CC1 ZINC000334459117 1123023407 /nfs/dbraw/zinc/02/34/07/1123023407.db2.gz LCUNWMCSVDNBCZ-TZMCWYRMSA-N 0 1 260.381 3.707 20 0 CHADMN CCN(Cc1c(C)nn(C)c1C)Cc1cccc(Cl)c1 ZINC000154892507 1129094099 /nfs/dbraw/zinc/09/40/99/1129094099.db2.gz CPFDQIQVGMBDGA-UHFFFAOYSA-N 0 1 291.826 3.712 20 0 CHADMN Fc1cccc([C@@H]2CCN(Cc3ccnc(Cl)c3)C2)c1 ZINC000729481010 1123033910 /nfs/dbraw/zinc/03/39/10/1123033910.db2.gz BFHUAFJPUXYTRW-CQSZACIVSA-N 0 1 290.769 3.864 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(C)cc(C)c2)nc1 ZINC000776009635 1123035800 /nfs/dbraw/zinc/03/58/00/1123035800.db2.gz YTGKFAMRWKLTKX-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN Fc1cccc([C@@H]2CC[N@@H+](Cc3cccnc3Cl)C2)c1 ZINC000729481432 1123038030 /nfs/dbraw/zinc/03/80/30/1123038030.db2.gz RIJCLTXOWSJOGW-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN Fc1cccc([C@@H]2CCN(Cc3cccnc3Cl)C2)c1 ZINC000729481432 1123038033 /nfs/dbraw/zinc/03/80/33/1123038033.db2.gz RIJCLTXOWSJOGW-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN CC[C@H](F)CN1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000440781947 1123038905 /nfs/dbraw/zinc/03/89/05/1123038905.db2.gz BKPHAHJDZXNQBS-AEGPPILISA-N 0 1 267.413 3.913 20 0 CHADMN CC[C@@H](F)CN[C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000440780821 1123039516 /nfs/dbraw/zinc/03/95/16/1123039516.db2.gz HZZRVOHHKSQTNX-GXTWGEPZSA-N 0 1 283.387 3.881 20 0 CHADMN C=CCOc1ccccc1CNCc1cnc(CC)s1 ZINC000084023902 1123040665 /nfs/dbraw/zinc/04/06/65/1123040665.db2.gz KUIDQVAMLGMKAT-UHFFFAOYSA-N 0 1 288.416 3.560 20 0 CHADMN CC[C@@H](F)CN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000440785977 1123040871 /nfs/dbraw/zinc/04/08/71/1123040871.db2.gz MCFLTTPVLTUSCV-CHWSQXEVSA-N 0 1 296.455 3.949 20 0 CHADMN CC(C)Cn1ccnc1CN[C@H]1c2ccccc2C[C@H]1C ZINC000164789183 1123052253 /nfs/dbraw/zinc/05/22/53/1123052253.db2.gz BNMJSRMKTPLRMZ-RDTXWAMCSA-N 0 1 283.419 3.562 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@@](CF)(C(F)(F)F)C2)c1 ZINC001143580657 1123072403 /nfs/dbraw/zinc/07/24/03/1123072403.db2.gz RANDFBMWVBAXBT-ZDUSSCGKSA-N 0 1 293.279 3.858 20 0 CHADMN Cc1nc2cc(NCc3cc(F)ccc3C)ccc2n1C ZINC001201134114 1123074716 /nfs/dbraw/zinc/07/47/16/1123074716.db2.gz ZDAXGSYVETUDOK-UHFFFAOYSA-N 0 1 283.350 3.941 20 0 CHADMN CCc1nocc1CN[C@@H](C)c1cc(C)sc1C ZINC000647971237 1123087949 /nfs/dbraw/zinc/08/79/49/1123087949.db2.gz ZLPOENNQEGUGLJ-JTQLQIEISA-N 0 1 264.394 3.766 20 0 CHADMN C[C@H]1CC(C)(C)CN1Cc1nc(C(C)(C)C)co1 ZINC000894925185 1123089345 /nfs/dbraw/zinc/08/93/45/1123089345.db2.gz IIHMUGFRPKGNHV-NSHDSACASA-N 0 1 250.386 3.593 20 0 CHADMN COC[C@@H](C)Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000122898641 1123092851 /nfs/dbraw/zinc/09/28/51/1123092851.db2.gz VKYYVCMVXYNUTA-SECBINFHSA-N 0 1 284.281 3.700 20 0 CHADMN FC(F)(F)c1n[nH]c2c1CCN(CC1CCCCC1)C2 ZINC001201401425 1123092866 /nfs/dbraw/zinc/09/28/66/1123092866.db2.gz GXYAYFQFHUJYAM-ZDUSSCGKSA-N 0 1 287.329 3.923 20 0 CHADMN CCCCNc1nc2ccc(Br)cc2[nH]1 ZINC000082743956 1123093871 /nfs/dbraw/zinc/09/38/71/1123093871.db2.gz QJQZIFLYRSNKLG-UHFFFAOYSA-N 0 1 268.158 3.537 20 0 CHADMN FC(F)(F)c1ccc2c(c1)nccc2N1CCSCC1 ZINC000123840994 1123103797 /nfs/dbraw/zinc/10/37/97/1123103797.db2.gz FCTVDJSKGNESIN-UHFFFAOYSA-N 0 1 298.333 3.807 20 0 CHADMN CC(C)=CCC[C@H](C)CN(C)Cc1cscn1 ZINC001201497312 1123111308 /nfs/dbraw/zinc/11/13/08/1123111308.db2.gz VIHSUIQNFGCQEX-ZDUSSCGKSA-N 0 1 252.427 3.957 20 0 CHADMN CC(C)CCc1noc(CN2CC(C)(C)[C@H]3CCC[C@H]32)n1 ZINC000520434977 1123113195 /nfs/dbraw/zinc/11/31/95/1123113195.db2.gz MVMHIUOGHFVKEG-UONOGXRCSA-N 0 1 291.439 3.669 20 0 CHADMN COCC1(NCc2csc(Cl)c2Cl)CCC1 ZINC000336761430 1123120759 /nfs/dbraw/zinc/12/07/59/1123120759.db2.gz KJPIIMADXFZKBZ-UHFFFAOYSA-N 0 1 280.220 3.714 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](C)c2ccccc2)c(F)cn1 ZINC000286967383 1123122654 /nfs/dbraw/zinc/12/26/54/1123122654.db2.gz NPJRTXJPWFNXEK-NWDGAFQWSA-N 0 1 274.339 3.641 20 0 CHADMN C[C@@H]1CCCN(Cc2ccn(-c3ccc(F)cc3)n2)[C@@H]1C ZINC000441448997 1123128656 /nfs/dbraw/zinc/12/86/56/1123128656.db2.gz PZXYBXVXANWOAF-ZIAGYGMSSA-N 0 1 287.382 3.632 20 0 CHADMN Cc1sc(NC(=O)CN2CCC[C@H](C)[C@@H]2C)c(C)c1C ZINC000441453770 1123129276 /nfs/dbraw/zinc/12/92/76/1123129276.db2.gz ZOIVVMHUHIXZGM-GWCFXTLKSA-N 0 1 294.464 3.732 20 0 CHADMN CC[C@H](C)Nc1cc(OCc2ccccc2)ccn1 ZINC001167998315 1123139014 /nfs/dbraw/zinc/13/90/14/1123139014.db2.gz IHEKUTSVICLUDG-ZDUSSCGKSA-N 0 1 256.349 3.871 20 0 CHADMN Cc1ncc(CN2CCCC[C@H]2c2ccccc2)cn1 ZINC000334152232 1123139072 /nfs/dbraw/zinc/13/90/72/1123139072.db2.gz VIWAVQCWKQSAKN-KRWDZBQOSA-N 0 1 267.376 3.512 20 0 CHADMN CC[C@@H](C)Nc1nccc2c1CCN(Cc1ccccc1)C2 ZINC001167998950 1123141174 /nfs/dbraw/zinc/14/11/74/1123141174.db2.gz MAUDZKUXCMKIBS-OAHLLOKOSA-N 0 1 295.430 3.850 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H]2CCCC[C@H]2C)no1 ZINC000162337854 1123143137 /nfs/dbraw/zinc/14/31/37/1123143137.db2.gz QPKOIGMCTFHMNT-HIFRSBDPSA-N 0 1 285.391 3.713 20 0 CHADMN Cc1cncc(CN2CCc3ccccc3[C@@H]2C)c1 ZINC000189882020 1123144717 /nfs/dbraw/zinc/14/47/17/1123144717.db2.gz TXYNDYSJTCFJEW-AWEZNQCLSA-N 0 1 252.361 3.509 20 0 CHADMN c1nc2c([nH]1)C1(CCC1)N(Cc1ccc(C3CC3)cc1)CC2 ZINC000895069300 1123147786 /nfs/dbraw/zinc/14/77/86/1123147786.db2.gz VONFVWLBGWYYHX-UHFFFAOYSA-N 0 1 293.414 3.725 20 0 CHADMN CCc1cccc(CNc2cnccc2-n2cc(C)cn2)c1 ZINC001201803489 1123150669 /nfs/dbraw/zinc/15/06/69/1123150669.db2.gz UQKXROQVKHRVOZ-UHFFFAOYSA-N 0 1 292.386 3.750 20 0 CHADMN C[C@H](N[C@@H]1CCSc2c(Cl)cccc21)c1cn[nH]c1 ZINC000334325024 1123153678 /nfs/dbraw/zinc/15/36/78/1123153678.db2.gz FVCMBIOUTCEZRR-TVQRCGJNSA-N 0 1 293.823 3.951 20 0 CHADMN C[C@H](N[C@H]1CCSc2c(Cl)cccc21)c1cn[nH]c1 ZINC000334325027 1123153759 /nfs/dbraw/zinc/15/37/59/1123153759.db2.gz FVCMBIOUTCEZRR-ZANVPECISA-N 0 1 293.823 3.951 20 0 CHADMN COc1cc(F)cc(CN[C@@H](C)c2ccsc2)c1 ZINC000090972500 1123158733 /nfs/dbraw/zinc/15/87/33/1123158733.db2.gz VDIKQKLKQDOPLV-JTQLQIEISA-N 0 1 265.353 3.747 20 0 CHADMN C[N@@H+](Cc1ccc(-c2ccccc2)cc1F)CC(C)(C)O ZINC000507775317 1123169633 /nfs/dbraw/zinc/16/96/33/1123169633.db2.gz KNIXNCOBTFBOQC-UHFFFAOYSA-N 0 1 287.378 3.695 20 0 CHADMN CCCC[C@H](CC)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000022261226 1123176895 /nfs/dbraw/zinc/17/68/95/1123176895.db2.gz STJPUBGMUWUMJI-ZDUSSCGKSA-N 0 1 287.407 3.704 20 0 CHADMN Cc1coc(CN2CCC(C)(C(=O)OC(C)(C)C)CC2)c1 ZINC000895084692 1123177802 /nfs/dbraw/zinc/17/78/02/1123177802.db2.gz GOBWOVYDQPTRJF-UHFFFAOYSA-N 0 1 293.407 3.532 20 0 CHADMN CCCOc1ccc(CNCc2ccc(Cl)cn2)cc1 ZINC000776254944 1123179764 /nfs/dbraw/zinc/17/97/64/1123179764.db2.gz POBYCCAFDQJWDA-UHFFFAOYSA-N 0 1 290.794 3.814 20 0 CHADMN CC[C@H](C)N(C)Cc1csc(-c2ccoc2)n1 ZINC000170986133 1123179828 /nfs/dbraw/zinc/17/98/28/1123179828.db2.gz WWXAHLAHFHAOHV-JTQLQIEISA-N 0 1 250.367 3.633 20 0 CHADMN CC(C)(C)c1coc(CN2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000895087305 1123182824 /nfs/dbraw/zinc/18/28/24/1123182824.db2.gz IIKURZDFWHIOAA-STQMWFEESA-N 0 1 262.397 3.737 20 0 CHADMN CCOCCN(CC)Cc1ccc(Oc2ccccc2)o1 ZINC000507784592 1123186259 /nfs/dbraw/zinc/18/62/59/1123186259.db2.gz SGYKUBSUNWJLQQ-UHFFFAOYSA-N 0 1 289.375 3.930 20 0 CHADMN COc1cccc2cc(CNc3ccc4nc[nH]c4c3)oc21 ZINC001202349645 1123197175 /nfs/dbraw/zinc/19/71/75/1123197175.db2.gz DDHDSYANJNZLQK-UHFFFAOYSA-N 0 1 293.326 3.930 20 0 CHADMN c1nc2ccc(NCc3cc4ccncc4s3)cc2[nH]1 ZINC001202349794 1123198104 /nfs/dbraw/zinc/19/81/04/1123198104.db2.gz HUDGVBFQWVSQAA-UHFFFAOYSA-N 0 1 280.356 3.785 20 0 CHADMN FC(F)(F)CCN1CC2(CC(OCc3ccccc3)C2)C1 ZINC001202352145 1123200951 /nfs/dbraw/zinc/20/09/51/1123200951.db2.gz ATICMNQERTWOEJ-UHFFFAOYSA-N 0 1 299.336 3.620 20 0 CHADMN Clc1c2ccccc2oc1CN1CCC12CCOCC2 ZINC000639106993 1123202667 /nfs/dbraw/zinc/20/26/67/1123202667.db2.gz NAHRGGYTBVTIMD-UHFFFAOYSA-N 0 1 291.778 3.841 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2ccnn2-c2ccccc2OC)C1 ZINC000430720583 1123203953 /nfs/dbraw/zinc/20/39/53/1123203953.db2.gz NBGZRTSPTKTKQO-HNNXBMFYSA-N 0 1 299.418 3.503 20 0 CHADMN CC[C@H](C)c1ccc(C(=O)Nc2nc(C3CCC3)n[nH]2)cc1 ZINC000760047305 1123209682 /nfs/dbraw/zinc/20/96/82/1123209682.db2.gz SFDLQMYLTNQGBA-NSHDSACASA-N 0 1 298.390 3.838 20 0 CHADMN CC[C@H](C)c1ccc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc1 ZINC000760047305 1123209684 /nfs/dbraw/zinc/20/96/84/1123209684.db2.gz SFDLQMYLTNQGBA-NSHDSACASA-N 0 1 298.390 3.838 20 0 CHADMN CCn1cncc1C[N@H+]1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000417742220 1123210267 /nfs/dbraw/zinc/21/02/67/1123210267.db2.gz VWZRCARYRNALDR-GOSISDBHSA-N 0 1 283.419 3.857 20 0 CHADMN Cc1ccc(N2CCN([C@H](C)c3ccncc3)CC2)cc1C ZINC000071711670 1129106781 /nfs/dbraw/zinc/10/67/81/1129106781.db2.gz DVPYMLNITGSUAH-QGZVFWFLSA-N 0 1 295.430 3.582 20 0 CHADMN Cc1nc2cc(-c3ccc(F)c(CN(C)C)c3)ccc2n1C ZINC000665199558 1123227826 /nfs/dbraw/zinc/22/78/26/1123227826.db2.gz NPDATYXECFHJQN-UHFFFAOYSA-N 0 1 297.377 3.749 20 0 CHADMN COc1ccc(CNC2(c3ccc(C)cc3)CCC2)o1 ZINC000895125079 1123228637 /nfs/dbraw/zinc/22/86/37/1123228637.db2.gz KDXBFMQFHCZOFP-UHFFFAOYSA-N 0 1 271.360 3.766 20 0 CHADMN Cc1ncoc1CN(C)[C@H](C)CSc1ccccc1 ZINC000895133010 1123245917 /nfs/dbraw/zinc/24/59/17/1123245917.db2.gz ASSOIEKZMRULRM-GFCCVEGCSA-N 0 1 276.405 3.596 20 0 CHADMN C[C@@H](NCc1cccc(OC2CC2)c1F)c1ccc[nH]1 ZINC000850228613 1123248213 /nfs/dbraw/zinc/24/82/13/1123248213.db2.gz ILJBDSWRRMCWIU-LLVKDONJSA-N 0 1 274.339 3.546 20 0 CHADMN O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)C1CCC1 ZINC000427802725 1123249088 /nfs/dbraw/zinc/24/90/88/1123249088.db2.gz VFGWUDVETZHXQZ-UHFFFAOYSA-N 0 1 291.354 3.969 20 0 CHADMN CC(C)CC1(C(=O)Nc2ccc3[nH]nnc3c2)CCCC1 ZINC000508000696 1123254189 /nfs/dbraw/zinc/25/41/89/1123254189.db2.gz OLVOVQHUJBECDT-UHFFFAOYSA-N 0 1 286.379 3.503 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2cnc(C)cn2)cc1 ZINC000427849864 1123254501 /nfs/dbraw/zinc/25/45/01/1123254501.db2.gz GWJJAYIZBPEXSJ-UONOGXRCSA-N 0 1 255.365 3.505 20 0 CHADMN C1=C[C@H](NCc2csc(-c3ccsc3)n2)CC1 ZINC000850358187 1123255584 /nfs/dbraw/zinc/25/55/84/1123255584.db2.gz JNYKINCPZYJRRY-NSHDSACASA-N 0 1 262.403 3.680 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](C)c2cccc(C)c2C)cn1 ZINC000427857517 1123256300 /nfs/dbraw/zinc/25/63/00/1123256300.db2.gz ITEGJGKJKDBCJP-CABCVRRESA-N 0 1 269.392 3.814 20 0 CHADMN O[C@H]1C[C@H](NCc2ccc(F)c(Cl)c2)c2ccccc21 ZINC000850371592 1123258278 /nfs/dbraw/zinc/25/82/78/1123258278.db2.gz LCGNJIFZEQCLGO-HOTGVXAUSA-N 0 1 291.753 3.747 20 0 CHADMN Clc1scc(CN[C@H]2COC3(CCC3)C2)c1Cl ZINC000850370578 1123258364 /nfs/dbraw/zinc/25/83/64/1123258364.db2.gz RVHHZZIEEQIOJJ-SECBINFHSA-N 0 1 292.231 3.856 20 0 CHADMN Cc1cc2cc(NC(=O)c3cccc4nc[nH]c43)ccc2[nH]1 ZINC000156038721 1129109342 /nfs/dbraw/zinc/10/93/42/1129109342.db2.gz IEQXJBDUEGSYFN-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN Oc1ccc([C@H]2CCCN2Cc2ccccc2F)cc1 ZINC000620934167 1129109400 /nfs/dbraw/zinc/10/94/00/1129109400.db2.gz KUMXWTHWZSMHPN-QGZVFWFLSA-N 0 1 271.335 3.868 20 0 CHADMN CSc1ccc(CN[C@@H]2C[C@H](O)c3ccccc32)s1 ZINC000850374164 1123259538 /nfs/dbraw/zinc/25/95/38/1123259538.db2.gz KOVXIEXAHSJRLH-KGLIPLIRSA-N 0 1 291.441 3.738 20 0 CHADMN CC(C)c1ncc(CN[C@H]2CCc3ccc(O)cc32)s1 ZINC000850386958 1123261147 /nfs/dbraw/zinc/26/11/47/1123261147.db2.gz NIWVEKLQSICUMJ-HNNXBMFYSA-N 0 1 288.416 3.749 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3ccc(O)cc32)cnc1Cl ZINC000850386981 1123261366 /nfs/dbraw/zinc/26/13/66/1123261366.db2.gz NUUKUQNAXOHBHC-OAHLLOKOSA-N 0 1 288.778 3.526 20 0 CHADMN Cc1cccnc1CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000850432383 1123266293 /nfs/dbraw/zinc/26/62/93/1123266293.db2.gz AQEXURZCGJMLAP-CQSZACIVSA-N 0 1 282.387 3.566 20 0 CHADMN CC(C)[C@@H](NCc1ccn(C)n1)c1ccc2c(c1)CCCC2 ZINC000850449891 1123268607 /nfs/dbraw/zinc/26/86/07/1123268607.db2.gz WSFPEJSQRRFWLE-LJQANCHMSA-N 0 1 297.446 3.786 20 0 CHADMN CC(C)[C@H](NCc1ccn(C)n1)c1ccc2c(c1)CCCC2 ZINC000850449890 1123268883 /nfs/dbraw/zinc/26/88/83/1123268883.db2.gz WSFPEJSQRRFWLE-IBGZPJMESA-N 0 1 297.446 3.786 20 0 CHADMN CN(C)Cc1ccc(N[C@@H]2CCCSCC2)cc1F ZINC000850459021 1123270399 /nfs/dbraw/zinc/27/03/99/1123270399.db2.gz YBJUQQVNYCUSJA-CYBMUJFWSA-N 0 1 282.428 3.585 20 0 CHADMN Cc1cc([C@@H](C)NCc2cc(Cl)cc(Cl)c2)n(C)n1 ZINC000850483080 1123274436 /nfs/dbraw/zinc/27/44/36/1123274436.db2.gz WOLWXDOYLNRCCP-SNVBAGLBSA-N 0 1 298.217 3.886 20 0 CHADMN COc1cc(C)c(C)cc1N[C@H]1CCCc2[nH]ncc21 ZINC000850501204 1123275455 /nfs/dbraw/zinc/27/54/55/1123275455.db2.gz KSDKIJUXAUGXLA-ZDUSSCGKSA-N 0 1 271.364 3.525 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](c2ccccc2F)C(C)C)n(C)n1 ZINC000850516325 1123278953 /nfs/dbraw/zinc/27/89/53/1123278953.db2.gz AOTIMPNWTLGKQB-CXAGYDPISA-N 0 1 289.398 3.916 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CCS[C@@H](C(C)C)C1 ZINC000428212919 1123282161 /nfs/dbraw/zinc/28/21/61/1123282161.db2.gz PIVSIDBJOPQOLQ-CQSZACIVSA-N 0 1 282.453 3.680 20 0 CHADMN CCc1nc(C)c(CN(Cc2ccccc2)C2CC2)o1 ZINC000428220528 1123283449 /nfs/dbraw/zinc/28/34/49/1123283449.db2.gz HWYDHUMUOSUZOJ-UHFFFAOYSA-N 0 1 270.376 3.710 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2C[C@H](O)c3ccccc32)c(C)n1 ZINC000850530252 1123285134 /nfs/dbraw/zinc/28/51/34/1123285134.db2.gz XVJGWYFZHXCURJ-VHSSKADRSA-N 0 1 282.387 3.527 20 0 CHADMN CC(C)(C)C(F)(F)CN[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000850572687 1123294950 /nfs/dbraw/zinc/29/49/50/1123294950.db2.gz NTGLJWQEMITUNP-OUAUKWLOSA-N 0 1 295.464 3.637 20 0 CHADMN C[C@@H](N[C@H]1CCc2cc(N)ccc21)c1cccc(F)c1F ZINC000665269490 1123296061 /nfs/dbraw/zinc/29/60/61/1123296061.db2.gz HJWVIJVVTAWBFO-HWPZZCPQSA-N 0 1 288.341 3.885 20 0 CHADMN Cc1cc(CN2CCCCC[C@@H]2c2ccccc2)nn1C ZINC000487415421 1123308636 /nfs/dbraw/zinc/30/86/36/1123308636.db2.gz RZVJFGNEWQYHHH-GOSISDBHSA-N 0 1 283.419 3.846 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccc(C)c2F)cc1 ZINC000394934726 1123312931 /nfs/dbraw/zinc/31/29/31/1123312931.db2.gz APKHYSQMZJDUTE-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN Cc1ncccc1CN1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000335165245 1123315644 /nfs/dbraw/zinc/31/56/44/1123315644.db2.gz SPTKZJFHVKUYFX-AAEUAGOBSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1ncccc1CN1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000335165247 1123315735 /nfs/dbraw/zinc/31/57/35/1123315735.db2.gz SPTKZJFHVKUYFX-WCQYABFASA-N 0 1 272.314 3.553 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000335164293 1123317979 /nfs/dbraw/zinc/31/79/79/1123317979.db2.gz YYAOQPXDNVVUCA-WDEREUQCSA-N 0 1 291.782 3.620 20 0 CHADMN Cc1ncc(CN[C@H]2CCCc3sc(Cl)cc32)cn1 ZINC000335199743 1123321610 /nfs/dbraw/zinc/32/16/10/1123321610.db2.gz DLOPKPUQKJCUPI-LBPRGKRZSA-N 0 1 293.823 3.667 20 0 CHADMN Cc1ncc(CN[C@@H]2CC[C@H](C)c3ccsc32)o1 ZINC000335181362 1123324288 /nfs/dbraw/zinc/32/42/88/1123324288.db2.gz PBNFCPPICRPNNT-TVQRCGJNSA-N 0 1 262.378 3.773 20 0 CHADMN C[C@@H](C(=O)Nc1cccc(Cl)c1O)c1ccsc1 ZINC000335183149 1123324365 /nfs/dbraw/zinc/32/43/65/1123324365.db2.gz KAFHNSWZJJXRGD-MRVPVSSYSA-N 0 1 281.764 3.849 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000442864976 1123343529 /nfs/dbraw/zinc/34/35/29/1123343529.db2.gz DXDWBNYQLWELEC-RISCZKNCSA-N 0 1 287.432 3.860 20 0 CHADMN C[C@H](NCc1ccncc1OCC(F)F)c1ccsc1 ZINC000442867415 1123343758 /nfs/dbraw/zinc/34/37/58/1123343758.db2.gz OKCSCCNWSHBTSJ-JTQLQIEISA-N 0 1 298.358 3.638 20 0 CHADMN CC[C@@]1(C)CN([C@H](C)c2ccc(OC(F)F)cc2)CCO1 ZINC000442869504 1123344952 /nfs/dbraw/zinc/34/49/52/1123344952.db2.gz BJISAHNYQVNALF-WBMJQRKESA-N 0 1 299.361 3.850 20 0 CHADMN COc1ccc([C@H](C)NCc2ccsc2C)c(OC)c1 ZINC000312439537 1129115881 /nfs/dbraw/zinc/11/58/81/1129115881.db2.gz TWNDVVVYKXLDAF-NSHDSACASA-N 0 1 291.416 3.925 20 0 CHADMN CO[C@H]1CCN(Cc2ccc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000443076356 1123355627 /nfs/dbraw/zinc/35/56/27/1123355627.db2.gz WYFUVANSMHPJMY-UWVGGRQHSA-N 0 1 293.354 3.766 20 0 CHADMN CO[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000443076356 1123355625 /nfs/dbraw/zinc/35/56/25/1123355625.db2.gz WYFUVANSMHPJMY-UWVGGRQHSA-N 0 1 293.354 3.766 20 0 CHADMN CC(C)n1ncc2c1[C@H](N[C@H](C)c1cccc(O)c1)CCC2 ZINC000367021045 1123356166 /nfs/dbraw/zinc/35/61/66/1123356166.db2.gz CGTLYZCRFBBPLD-CXAGYDPISA-N 0 1 299.418 3.898 20 0 CHADMN CCCN1CCC[C@@H]1c1nc(-c2ccc(C)cc2)no1 ZINC000443098549 1123357554 /nfs/dbraw/zinc/35/75/54/1123357554.db2.gz YLDCRQRGNNEEQK-CQSZACIVSA-N 0 1 271.364 3.592 20 0 CHADMN CCc1ncc(CN2CCCC[C@@H]2c2ccccc2)cn1 ZINC000414431785 1129116394 /nfs/dbraw/zinc/11/63/94/1129116394.db2.gz LPAJMUSNSDPQCH-QGZVFWFLSA-N 0 1 281.403 3.766 20 0 CHADMN Cc1sc([C@H](C)N)nc1-c1c(F)cc(F)cc1F ZINC000335333513 1123359640 /nfs/dbraw/zinc/35/96/40/1123359640.db2.gz JBOLNZSRFBMTPQ-YFKPBYRVSA-N 0 1 272.295 3.556 20 0 CHADMN CC1=C[C@H](C)C[C@@H](CN2CCO[C@@H](c3ccco3)C2)C1 ZINC000428271799 1123361978 /nfs/dbraw/zinc/36/19/78/1123361978.db2.gz HNHNPRDFGDLQFH-YSVLISHTSA-N 0 1 275.392 3.645 20 0 CHADMN CCc1ccc(CN(CCOC)[C@H](C)c2ccccc2)nc1 ZINC000338937909 1123362822 /nfs/dbraw/zinc/36/28/22/1123362822.db2.gz HVSBWVJJEHMBHU-MRXNPFEDSA-N 0 1 298.430 3.854 20 0 CHADMN Cc1cc(CN)oc1-c1nc(C2CCCCCC2)no1 ZINC000634554594 1129116891 /nfs/dbraw/zinc/11/68/91/1129116891.db2.gz GVLBBSJRCKMDJN-UHFFFAOYSA-N 0 1 275.352 3.535 20 0 CHADMN Cc1cccc(Cc2noc([C@H](C)N3[C@H](C)CC[C@H]3C)n2)c1 ZINC000443200053 1123364465 /nfs/dbraw/zinc/36/44/65/1123364465.db2.gz FHKHFFBXMMOQND-KFWWJZLASA-N 0 1 299.418 3.903 20 0 CHADMN CO[C@@H](C)CN[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000443208444 1123364658 /nfs/dbraw/zinc/36/46/58/1123364658.db2.gz BMUVNKLOBUAJHF-SCLBCKFNSA-N 0 1 296.370 3.542 20 0 CHADMN Cc1ccccc1C[C@H](C)c1nc([C@@H](N)CC(C)C)no1 ZINC000634555866 1129117164 /nfs/dbraw/zinc/11/71/64/1129117164.db2.gz XJLDVYYOBTZXAC-ZFWWWQNUSA-N 0 1 287.407 3.770 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cccc(F)n2)cc1 ZINC000851709929 1123372465 /nfs/dbraw/zinc/37/24/65/1123372465.db2.gz CUPXKHWZPYXPLK-MRXNPFEDSA-N 0 1 270.351 3.866 20 0 CHADMN c1sc(-c2ccccn2)nc1CN1CCCC12CCC2 ZINC000335521743 1123375032 /nfs/dbraw/zinc/37/50/32/1123375032.db2.gz BKKUJZQCWPJOPF-UHFFFAOYSA-N 0 1 285.416 3.724 20 0 CHADMN CCN(Cc1cccc(F)n1)[C@@H](C)c1ccc(F)cc1 ZINC000851735717 1123376156 /nfs/dbraw/zinc/37/61/56/1123376156.db2.gz INKQBSXYAVKNJG-LBPRGKRZSA-N 0 1 276.330 3.943 20 0 CHADMN C[C@@H](N[C@H]1COCc2ccccc21)c1cc(F)cc(F)c1 ZINC000335633055 1123385794 /nfs/dbraw/zinc/38/57/94/1123385794.db2.gz WHFMNFFAKPQJAX-DIFFPNOSSA-N 0 1 289.325 3.887 20 0 CHADMN CC(C)Oc1cccc([C@H](C)NCc2cccc(F)n2)c1 ZINC000851899175 1123387323 /nfs/dbraw/zinc/38/73/23/1123387323.db2.gz ZBFQUJHEKDHYQK-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN CC[C@@](C)(NCc1cc(C2CC2)no1)c1ccccc1 ZINC000851901530 1123388250 /nfs/dbraw/zinc/38/82/50/1123388250.db2.gz LLSQYAKXHQKKMO-QGZVFWFLSA-N 0 1 270.376 3.967 20 0 CHADMN CSc1cccc(CN2CCC(F)(F)CC2)c1 ZINC000852002820 1123393231 /nfs/dbraw/zinc/39/32/31/1123393231.db2.gz WGOHTNNFLXEXTE-UHFFFAOYSA-N 0 1 257.349 3.640 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1C[C@H](C)OC[C@H]1C ZINC000443417761 1123396342 /nfs/dbraw/zinc/39/63/42/1123396342.db2.gz QVWOLPIPCXKISC-NEPJUHHUSA-N 0 1 287.325 3.623 20 0 CHADMN C[C@@H](NCc1cccnc1)c1cc2cccc(F)c2o1 ZINC000353239055 1123397089 /nfs/dbraw/zinc/39/70/89/1123397089.db2.gz QOLAOYKFCVGCGI-LLVKDONJSA-N 0 1 270.307 3.818 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(C(C)(C)C)s1 ZINC000166278631 1123398800 /nfs/dbraw/zinc/39/88/00/1123398800.db2.gz USBUDBMHYMYVGX-NSHDSACASA-N 0 1 283.437 3.731 20 0 CHADMN CCCc1[nH]n(-c2cccc3ncccc32)c(=O)c1CC ZINC000634591236 1129119372 /nfs/dbraw/zinc/11/93/72/1129119372.db2.gz WSUFWXHZKJGNDK-GFCCVEGCSA-N 0 1 281.359 3.764 20 0 CHADMN Cc1ccc2c(c1)CN(C[C@@H]1CC1(Cl)Cl)CC2 ZINC000852406566 1123404340 /nfs/dbraw/zinc/40/43/40/1123404340.db2.gz QAAQPTQWJDSCBA-ZDUSSCGKSA-N 0 1 270.203 3.547 20 0 CHADMN C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCCCCCC1 ZINC000008338914 1123405442 /nfs/dbraw/zinc/40/54/42/1123405442.db2.gz HMOIVVPXSMPLFA-LBPRGKRZSA-N 0 1 296.361 3.558 20 0 CHADMN CC(C)[C@H]1CCC2=NN(c3ccc(Cl)cn3)C(=O)[C@H]2C1 ZINC000634593380 1129119745 /nfs/dbraw/zinc/11/97/45/1129119745.db2.gz NABJRRFLCCLWHF-JQWIXIFHSA-N 0 1 291.782 3.510 20 0 CHADMN CC[C@@H](C)c1cc(=O)n(-c2ccc(SC)cc2)[nH]1 ZINC000634594071 1129119789 /nfs/dbraw/zinc/11/97/89/1129119789.db2.gz JVCDGBMBFJTECC-SNVBAGLBSA-N 0 1 262.378 3.547 20 0 CHADMN CC1(c2cc(=O)n(-c3cccc(C(F)(F)F)c3)[nH]2)CC1 ZINC000634593421 1129120092 /nfs/dbraw/zinc/12/00/92/1129120092.db2.gz NXYGQMSKKUEODR-UHFFFAOYSA-N 0 1 282.265 3.598 20 0 CHADMN CSc1ccc(-n2[nH]c3c(c2=O)C[C@@H](C)CC3)cc1 ZINC000634594373 1129120120 /nfs/dbraw/zinc/12/01/20/1129120120.db2.gz UHSMRYHDUYPBKH-GXFFZTMASA-N 0 1 274.389 3.547 20 0 CHADMN CCC1(CC)[C@H](NCc2nc3ccccc3o2)C[C@H]1OC ZINC000191360727 1123424277 /nfs/dbraw/zinc/42/42/77/1123424277.db2.gz RYLIQFNUAAEUIQ-HUUCEWRRSA-N 0 1 288.391 3.511 20 0 CHADMN Clc1cc2c(c(Cl)c1)CC[C@@H]2Sc1c[nH]nn1 ZINC000443525596 1123425304 /nfs/dbraw/zinc/42/53/04/1123425304.db2.gz ZJHIRNIBZZTTOR-JTQLQIEISA-N 0 1 286.187 3.891 20 0 CHADMN CC1=C(c2ccco2)CN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000338954793 1123426209 /nfs/dbraw/zinc/42/62/09/1123426209.db2.gz LIJYVWBOBGSVBM-UHFFFAOYSA-N 0 1 299.418 3.911 20 0 CHADMN Cc1ccnc(N[C@@H]2CCc3cccnc32)c1C1CC1 ZINC000895251449 1123427245 /nfs/dbraw/zinc/42/72/45/1123427245.db2.gz KTRZKGAHOHIQHK-CQSZACIVSA-N 0 1 265.360 3.762 20 0 CHADMN C[C@H](OC(=O)CC1CCC(C(C)(C)C)CC1)c1nnc[nH]1 ZINC000853219105 1123428468 /nfs/dbraw/zinc/42/84/68/1123428468.db2.gz CVFKMBBQIVVXEO-HIFPTAJRSA-N 0 1 293.411 3.652 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1ccn(C)n1 ZINC000853240012 1123429300 /nfs/dbraw/zinc/42/93/00/1123429300.db2.gz FHBGMCBKKNPLOP-XJKSGUPXSA-N 0 1 299.418 3.547 20 0 CHADMN Cc1cc(CNCc2c(C)cccc2F)cc(Cl)n1 ZINC000797602911 1123431742 /nfs/dbraw/zinc/43/17/42/1123431742.db2.gz SHYGYGFCNVBVGZ-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN CC(C)[C@H](C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1ccccc1 ZINC000665351002 1123433571 /nfs/dbraw/zinc/43/35/71/1123433571.db2.gz MQQGGJYXPJFVMZ-INIZCTEOSA-N 0 1 291.435 3.859 20 0 CHADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1CCOC(C)(C)C ZINC000111278435 1123437141 /nfs/dbraw/zinc/43/71/41/1123437141.db2.gz WDUWYCKOBFNCQO-HLLBOEOZSA-N 0 1 291.435 3.652 20 0 CHADMN CSc1ccc(CN2CCC([C@@H]3CCCCO3)CC2)o1 ZINC000895279237 1123438528 /nfs/dbraw/zinc/43/85/28/1123438528.db2.gz HFYBXLYWWRJHBD-HNNXBMFYSA-N 0 1 295.448 3.783 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442882136 1123440307 /nfs/dbraw/zinc/44/03/07/1123440307.db2.gz CIZZSWRYEALBCF-FOGDFJRCSA-N 0 1 287.329 3.582 20 0 CHADMN C[C@H]1CN(Cc2c[nH]nc2-c2cccs2)CCC1(F)F ZINC000335835669 1123441294 /nfs/dbraw/zinc/44/12/94/1123441294.db2.gz AERYOFVFXMLGDT-JTQLQIEISA-N 0 1 297.374 3.615 20 0 CHADMN CCn1cc(CNCc2cc(Cl)cc(Cl)c2)c(C)n1 ZINC000895301468 1123449328 /nfs/dbraw/zinc/44/93/28/1123449328.db2.gz ICLNXPSPXSLKGK-UHFFFAOYSA-N 0 1 298.217 3.808 20 0 CHADMN C[C@H]1CC[C@H]2C(=O)N(Cc3c(Cl)cccc3Cl)N=C21 ZINC000634629939 1129122638 /nfs/dbraw/zinc/12/26/38/1129122638.db2.gz HVZFPCQPHSRJJN-DTWKUNHWSA-N 0 1 297.185 3.738 20 0 CHADMN C[C@H]1CCc2c(=O)n(Cc3c(Cl)cccc3Cl)[nH]c21 ZINC000634629939 1129122641 /nfs/dbraw/zinc/12/26/41/1129122641.db2.gz HVZFPCQPHSRJJN-DTWKUNHWSA-N 0 1 297.185 3.738 20 0 CHADMN CC(C)c1cccc(COC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000853904791 1123462008 /nfs/dbraw/zinc/46/20/08/1123462008.db2.gz XZCLAIGCZKNWHV-OAHLLOKOSA-N 0 1 298.386 3.696 20 0 CHADMN Cc1nn(C)c(CNc2nccc(C)c2C2CC2)c1Cl ZINC000895347941 1123463024 /nfs/dbraw/zinc/46/30/24/1123463024.db2.gz WIGFANPMGSSNAP-UHFFFAOYSA-N 0 1 290.798 3.575 20 0 CHADMN Cc1ccnc(NCc2cnc(F)cc2C)c1C1CC1 ZINC000895347902 1123463173 /nfs/dbraw/zinc/46/31/73/1123463173.db2.gz VADOZPSHADVNFK-UHFFFAOYSA-N 0 1 271.339 3.722 20 0 CHADMN CSc1ccc([C@H](C)NCc2cccc(C)n2)cc1 ZINC000051574240 1123463728 /nfs/dbraw/zinc/46/37/28/1123463728.db2.gz WXLCMPKEJHQRPI-ZDUSSCGKSA-N 0 1 272.417 3.963 20 0 CHADMN C[C@@H]1CCN[C@H](c2nc(-c3cccc4c3CCCC4)no2)C1 ZINC001211880285 1123465433 /nfs/dbraw/zinc/46/54/33/1123465433.db2.gz BWFGNDWJHWCVNN-WBMJQRKESA-N 0 1 297.402 3.676 20 0 CHADMN CC1(C)CN(CC2CC(F)(F)C2)[C@H]1c1ccncc1 ZINC000854039724 1123466774 /nfs/dbraw/zinc/46/67/74/1123466774.db2.gz LIXLKPWNDIYVHZ-ZDUSSCGKSA-N 0 1 266.335 3.510 20 0 CHADMN CC1(C)CN(CC2CC(F)(F)C2)[C@@H]1c1cccnc1 ZINC000854041952 1123467318 /nfs/dbraw/zinc/46/73/18/1123467318.db2.gz SNMGQXLJVIISOF-CYBMUJFWSA-N 0 1 266.335 3.510 20 0 CHADMN Fc1ccc(-n2nccc2CN2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000474144704 1123469506 /nfs/dbraw/zinc/46/95/06/1123469506.db2.gz CIKZMNLNNDVEIQ-KDOFPFPSSA-N 0 1 299.393 3.776 20 0 CHADMN Cc1ccc2oc(CNCc3cn(C)nc3C3CC3)cc2c1 ZINC000895374218 1123469987 /nfs/dbraw/zinc/46/99/87/1123469987.db2.gz RUCLGSXGDQYLRL-UHFFFAOYSA-N 0 1 295.386 3.642 20 0 CHADMN CC1CCC(CC(=O)Nc2cccc(-c3cn[nH]n3)c2)CC1 ZINC000443684442 1123470374 /nfs/dbraw/zinc/47/03/74/1123470374.db2.gz SIQMOFSXNYTASF-UHFFFAOYSA-N 0 1 298.390 3.627 20 0 CHADMN CSc1ccc(-c2noc(CNC(C)C)n2)c(Cl)c1 ZINC000854142481 1123471185 /nfs/dbraw/zinc/47/11/85/1123471185.db2.gz OKYXQWIUOPFIKE-UHFFFAOYSA-N 0 1 297.811 3.610 20 0 CHADMN Cc1ncoc1CN1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000895388763 1123474185 /nfs/dbraw/zinc/47/41/85/1123474185.db2.gz KMSNNHAIQAMXAF-ZDUSSCGKSA-N 0 1 292.329 3.641 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(C(F)F)c(F)c2)C[C@H](C)O1 ZINC000895402551 1123476019 /nfs/dbraw/zinc/47/60/19/1123476019.db2.gz FYHJRDVXTPZVFQ-MNOVXSKESA-N 0 1 287.325 3.763 20 0 CHADMN CC(C)N(C)CC(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000114344521 1123483963 /nfs/dbraw/zinc/48/39/63/1123483963.db2.gz BFGGLMJRFYLOBZ-UHFFFAOYSA-N 0 1 297.402 3.709 20 0 CHADMN Cn1ccc(CN[C@@H](c2ccccc2)C2CCCCC2)n1 ZINC000112343723 1123488940 /nfs/dbraw/zinc/48/89/40/1123488940.db2.gz GLVJTNGHRRLWAU-SFHVURJKSA-N 0 1 283.419 3.831 20 0 CHADMN C[C@@H](NC(=O)/C=C/[C@@]1(C)CC[C@@H](C)C1(C)C)c1ncc[nH]1 ZINC000854594138 1123489799 /nfs/dbraw/zinc/48/97/99/1123489799.db2.gz FHMSNDMNYPIHPJ-XZZPJOGUSA-N 0 1 289.423 3.606 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccn2)C2CCC2)cnc1F ZINC000895582064 1123495448 /nfs/dbraw/zinc/49/54/48/1123495448.db2.gz RBWVVFYBCCPCMD-MRXNPFEDSA-N 0 1 285.366 3.555 20 0 CHADMN C/C=C(/C)C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000854819467 1123495660 /nfs/dbraw/zinc/49/56/60/1123495660.db2.gz XJTLVKNFQUTSHQ-BSKOKIOFSA-N 0 1 291.782 3.702 20 0 CHADMN CC[C@@H](NCc1cncs1)c1ccc(C)c(F)c1 ZINC000093113632 1123497960 /nfs/dbraw/zinc/49/79/60/1123497960.db2.gz UDDKBPGWZPIRIB-CQSZACIVSA-N 0 1 264.369 3.832 20 0 CHADMN CC(C)c1ccc([C@H]2CCCCN2Cn2cnnc2)cc1 ZINC000776761446 1123498334 /nfs/dbraw/zinc/49/83/34/1123498334.db2.gz BEKUNARCYCSDAG-QGZVFWFLSA-N 0 1 284.407 3.586 20 0 CHADMN Cc1ccc([C@H](C)CNC2(c3ncccn3)CCC2)cc1 ZINC000895622591 1123498291 /nfs/dbraw/zinc/49/82/91/1123498291.db2.gz KSXOXLMAYPWRJZ-OAHLLOKOSA-N 0 1 281.403 3.558 20 0 CHADMN CCc1cc(CN2CCC[C@@H]2c2cccs2)on1 ZINC001203218837 1123504043 /nfs/dbraw/zinc/50/40/43/1123504043.db2.gz IXAMPSHNKFGMFK-CYBMUJFWSA-N 0 1 262.378 3.636 20 0 CHADMN CC[C@](C)(NCc1ccc(OC)o1)c1ccc(F)cc1 ZINC000895694418 1123505302 /nfs/dbraw/zinc/50/53/02/1123505302.db2.gz UTDHJGCNPNXURH-INIZCTEOSA-N 0 1 277.339 3.842 20 0 CHADMN CC(C)C[C@H]1CCC[C@@H](NCc2nc(C(F)F)no2)C1 ZINC000895724530 1123508939 /nfs/dbraw/zinc/50/89/39/1123508939.db2.gz HJAXQFWKUJVMKO-GHMZBOCLSA-N 0 1 287.354 3.702 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cn1 ZINC000338967864 1123510450 /nfs/dbraw/zinc/51/04/50/1123510450.db2.gz JBOHSQSRJFPQMF-CQSZACIVSA-N 0 1 298.352 3.945 20 0 CHADMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)N[C@@H](C)c1ncco1 ZINC000895766361 1123510903 /nfs/dbraw/zinc/51/09/03/1123510903.db2.gz SEHABBHKMYQOQL-QWRGUYRKSA-N 0 1 298.308 3.975 20 0 CHADMN C[C@H](Cc1ccccc1C(F)(F)F)N[C@@H](C)c1ncco1 ZINC000895767498 1123512882 /nfs/dbraw/zinc/51/28/82/1123512882.db2.gz ZJHPLJCVQWCTKS-MNOVXSKESA-N 0 1 298.308 3.975 20 0 CHADMN C[C@@H](NCc1ccoc1)c1ccc2ncsc2c1 ZINC000776807338 1123514255 /nfs/dbraw/zinc/51/42/55/1123514255.db2.gz GRJLBCFUAFZZRO-SNVBAGLBSA-N 0 1 258.346 3.740 20 0 CHADMN CCN(c1ccc(N[C@@H](C)[C@@H](C)OC)cc1)C(C)C ZINC000776802783 1123515072 /nfs/dbraw/zinc/51/50/72/1123515072.db2.gz XTXCFUADTJNANY-UONOGXRCSA-N 0 1 264.413 3.757 20 0 CHADMN Cc1oc(C(C)(C)C)cc1CN[C@@H]1CCCn2nccc21 ZINC000895881900 1123525359 /nfs/dbraw/zinc/52/53/59/1123525359.db2.gz QVZHCAFGQGAQGG-CQSZACIVSA-N 0 1 287.407 3.707 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ncccc1C(F)(F)F ZINC000157446003 1129127431 /nfs/dbraw/zinc/12/74/31/1129127431.db2.gz AXNGVRYWEVCXNB-LLVKDONJSA-N 0 1 272.314 3.865 20 0 CHADMN O=C(CCc1ccccc1)Nc1cc(F)cc(Cl)c1O ZINC000474433146 1123529651 /nfs/dbraw/zinc/52/96/51/1123529651.db2.gz SWZQLVAZEHQAAD-UHFFFAOYSA-N 0 1 293.725 3.756 20 0 CHADMN CCC[C@H](C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474446795 1123530776 /nfs/dbraw/zinc/53/07/76/1123530776.db2.gz PLGBYMDHEAURIO-ZETCQYMHSA-N 0 1 259.708 3.559 20 0 CHADMN CCc1ccc(C[N@H+]2CCCc3ccccc3C2)nc1 ZINC000338979739 1123533187 /nfs/dbraw/zinc/53/31/87/1123533187.db2.gz BWTIOXHHUWOPEQ-UHFFFAOYSA-N 0 1 266.388 3.592 20 0 CHADMN COCC1CN(Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000895970170 1123536677 /nfs/dbraw/zinc/53/66/77/1123536677.db2.gz BRJBAHOLIFCBFD-UHFFFAOYSA-N 0 1 291.778 3.678 20 0 CHADMN CCSc1ccc(CNCc2ccc(OC)o2)cc1 ZINC000895994662 1123540440 /nfs/dbraw/zinc/54/04/40/1123540440.db2.gz MFZONFURQSJVJC-UHFFFAOYSA-N 0 1 277.389 3.690 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1coc2ccccc12 ZINC000925130366 1123550043 /nfs/dbraw/zinc/55/00/43/1123550043.db2.gz NQVBNHXGVLJREH-NWDGAFQWSA-N 0 1 269.348 3.578 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](C(F)(F)F)[C@@H]2C)cn1 ZINC000335870883 1123551227 /nfs/dbraw/zinc/55/12/27/1123551227.db2.gz XUJKOHHHBHMGMR-WCQYABFASA-N 0 1 272.314 3.553 20 0 CHADMN C[C@@H]1CCC[C@@H](CCN(C)Cc2cn3c(n2)CCCC3)C1 ZINC000429536919 1123564722 /nfs/dbraw/zinc/56/47/22/1123564722.db2.gz LLTRDLCJJMJQMX-CVEARBPZSA-N 0 1 289.467 3.868 20 0 CHADMN CCOc1ccccc1CNCc1cc(C)oc1C ZINC000114504802 1123564969 /nfs/dbraw/zinc/56/49/69/1123564969.db2.gz SHDHVHVMHDQBGB-UHFFFAOYSA-N 0 1 259.349 3.585 20 0 CHADMN Cn1cc(CN[C@H](c2ccccc2)C(C)(C)C)c(Cl)n1 ZINC000856765348 1123567387 /nfs/dbraw/zinc/56/73/87/1123567387.db2.gz HIAXOYIQMYXTEV-CQSZACIVSA-N 0 1 291.826 3.951 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cn(C)nc1Cl)CCC2 ZINC000856789977 1123569019 /nfs/dbraw/zinc/56/90/19/1123569019.db2.gz SNHDZNHBVWOBMJ-OAHLLOKOSA-N 0 1 289.810 3.549 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2CCCCCCC2)c(F)c1 ZINC000856884312 1123572878 /nfs/dbraw/zinc/57/28/78/1123572878.db2.gz XMLAOLJDGFZFEU-AWEZNQCLSA-N 0 1 292.398 3.727 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@@H]1CCCc2c(O)cccc21 ZINC000671112201 1129131232 /nfs/dbraw/zinc/13/12/32/1129131232.db2.gz XAEPOQIPZWXTFG-ZUZCIYMTSA-N 0 1 286.375 3.725 20 0 CHADMN Cn1nc(C2CC2)cc1CNc1ccnc2cc(F)ccc21 ZINC000896512744 1123590274 /nfs/dbraw/zinc/59/02/74/1123590274.db2.gz URJHTBZJJTVCPD-UHFFFAOYSA-N 0 1 296.349 3.597 20 0 CHADMN CCCc1ccc(CNc2nccn2C2CC2)s1 ZINC000857224125 1123592803 /nfs/dbraw/zinc/59/28/03/1123592803.db2.gz BUBBWXXMQHSZPV-UHFFFAOYSA-N 0 1 261.394 3.844 20 0 CHADMN Cn1nc(CNc2ccnc3cc(F)ccc32)cc1C1CC1 ZINC000896534515 1123594472 /nfs/dbraw/zinc/59/44/72/1123594472.db2.gz HLAUFYRTSSBRJK-UHFFFAOYSA-N 0 1 296.349 3.597 20 0 CHADMN CC[C@H]1c2ccsc2CCN1Cc1cnc2ccccn12 ZINC000157676761 1129132147 /nfs/dbraw/zinc/13/21/47/1129132147.db2.gz POBPOIUCXAZFDO-HNNXBMFYSA-N 0 1 297.427 3.905 20 0 CHADMN C[N@@H+](Cc1ccc(OCc2ccccc2)nc1)C1CCC1 ZINC000520247819 1123600265 /nfs/dbraw/zinc/60/02/65/1123600265.db2.gz GCKRVGZQACQLPH-UHFFFAOYSA-N 0 1 282.387 3.645 20 0 CHADMN CCCC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1CC ZINC000179182322 1123600378 /nfs/dbraw/zinc/60/03/78/1123600378.db2.gz JYGRACBFAIMHEY-AWEZNQCLSA-N 0 1 276.424 3.698 20 0 CHADMN COCc1cccc(C[N@@H+](C)Cc2ccccc2F)c1 ZINC000179185161 1123600444 /nfs/dbraw/zinc/60/04/44/1123600444.db2.gz PIAZZJMEFAFVMF-UHFFFAOYSA-N 0 1 273.351 3.604 20 0 CHADMN COCc1cccc(CN(C)Cc2ccccc2F)c1 ZINC000179185161 1123600445 /nfs/dbraw/zinc/60/04/45/1123600445.db2.gz PIAZZJMEFAFVMF-UHFFFAOYSA-N 0 1 273.351 3.604 20 0 CHADMN c1[nH]nc2c1CCC[C@H]2N[C@H](c1ccccc1)C1CC1 ZINC000857846001 1123620774 /nfs/dbraw/zinc/62/07/74/1123620774.db2.gz GAXSXLLRCHKQOG-HZPDHXFCSA-N 0 1 267.376 3.528 20 0 CHADMN COc1ccc([C@H](N[C@@H]2CCCc3c[nH]nc32)C2CC2)cc1 ZINC000857847232 1123620844 /nfs/dbraw/zinc/62/08/44/1123620844.db2.gz XMAKZCOEQFUDKH-IAGOWNOFSA-N 0 1 297.402 3.537 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)N[C@@H]2CCCc3c[nH]nc32)c1 ZINC000857846757 1123621168 /nfs/dbraw/zinc/62/11/68/1123621168.db2.gz GQYFGSHDXZUHFU-CXAGYDPISA-N 0 1 299.418 3.925 20 0 CHADMN CSc1cc(C)ccc1CN[C@H]1CCCc2c[nH]nc21 ZINC000857856164 1123622074 /nfs/dbraw/zinc/62/20/74/1123622074.db2.gz GJZCZHFXSDJTAY-AWEZNQCLSA-N 0 1 287.432 3.607 20 0 CHADMN Cc1cc(C)c(CN[C@@H]2CCCc3c[nH]nc32)c(C)c1 ZINC000857851752 1123622456 /nfs/dbraw/zinc/62/24/56/1123622456.db2.gz QLYSONAVWRDBBD-MRXNPFEDSA-N 0 1 269.392 3.502 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@H]1CCCc2c[nH]nc21 ZINC000857848382 1123622557 /nfs/dbraw/zinc/62/25/57/1123622557.db2.gz IKJNPOIAKQPRFT-LSDHHAIUSA-N 0 1 299.418 3.992 20 0 CHADMN CC(C)Oc1cccc(N[C@H]2CCCc3cn[nH]c32)c1 ZINC000857868633 1123623050 /nfs/dbraw/zinc/62/30/50/1123623050.db2.gz YKUAVBJRNVDLIM-HNNXBMFYSA-N 0 1 271.364 3.686 20 0 CHADMN CC[C@@H](OCCN[C@@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000857872429 1123624499 /nfs/dbraw/zinc/62/44/99/1123624499.db2.gz MPMXQJHAEYOKCN-IAGOWNOFSA-N 0 1 299.418 3.545 20 0 CHADMN Clc1ccc2c(n1)[C@@H](N[C@H](c1cccnc1)C1CC1)CC2 ZINC000857906157 1123625072 /nfs/dbraw/zinc/62/50/72/1123625072.db2.gz BNEFKRPPIGDPOE-HOCLYGCPSA-N 0 1 299.805 3.858 20 0 CHADMN C[C@H](NCc1ccnc(F)c1)c1ccc(Cl)s1 ZINC000858091899 1123630321 /nfs/dbraw/zinc/63/03/21/1123630321.db2.gz JJNXCLLRVOIHBO-QMMMGPOBSA-N 0 1 270.760 3.786 20 0 CHADMN CCC(F)(F)C(C)(C)CNCc1nnc(C2CC2)s1 ZINC000858179199 1123635981 /nfs/dbraw/zinc/63/59/81/1123635981.db2.gz ICUYISLQTNDVAZ-UHFFFAOYSA-N 0 1 289.395 3.577 20 0 CHADMN CC1(C)C[C@@]1(NCc1ccnc(F)c1)c1ccccc1 ZINC000858196205 1123637767 /nfs/dbraw/zinc/63/77/67/1123637767.db2.gz JWTXITAKKHSWAS-QGZVFWFLSA-N 0 1 270.351 3.636 20 0 CHADMN c1nc(CNCCCCCCc2ccccc2)co1 ZINC000858222477 1123638409 /nfs/dbraw/zinc/63/84/09/1123638409.db2.gz FNKRWXDUJFPJKX-UHFFFAOYSA-N 0 1 258.365 3.567 20 0 CHADMN C[C@@H](NCc1c[nH]c(-c2ccccc2)n1)c1cccc(O)c1 ZINC000192366439 1123639749 /nfs/dbraw/zinc/63/97/49/1123639749.db2.gz GWBYNORQFFEULT-CYBMUJFWSA-N 0 1 293.370 3.633 20 0 CHADMN C[C@@H](NCc1cnc(-c2ccccc2)[nH]1)c1cccc(O)c1 ZINC000192366439 1123639752 /nfs/dbraw/zinc/63/97/52/1123639752.db2.gz GWBYNORQFFEULT-CYBMUJFWSA-N 0 1 293.370 3.633 20 0 CHADMN CC[C@@]1(C)CN(Cc2c(C)oc3ccccc32)CCO1 ZINC000443850035 1123643800 /nfs/dbraw/zinc/64/38/00/1123643800.db2.gz FGRJJLVJDSUXHF-KRWDZBQOSA-N 0 1 273.376 3.742 20 0 CHADMN CC(C)c1cnc(CN2CC3(C[C@H]2C)CCOCC3)s1 ZINC000648070500 1123643868 /nfs/dbraw/zinc/64/38/68/1123643868.db2.gz ADQLHJSXCSMYPF-CYBMUJFWSA-N 0 1 294.464 3.658 20 0 CHADMN CC[C@]1(C)CN(Cc2c(C)oc3ccccc32)CCO1 ZINC000443850036 1123644077 /nfs/dbraw/zinc/64/40/77/1123644077.db2.gz FGRJJLVJDSUXHF-QGZVFWFLSA-N 0 1 273.376 3.742 20 0 CHADMN CCc1nocc1CN[C@H]1CCc2ccc(Cl)cc21 ZINC000858320777 1123645409 /nfs/dbraw/zinc/64/54/09/1123645409.db2.gz IPBFUYFMDGEEEW-HNNXBMFYSA-N 0 1 276.767 3.668 20 0 CHADMN Fc1cccc(CN2CCC[C@@]3(CCCOC3)C2)c1Cl ZINC000339011226 1123647412 /nfs/dbraw/zinc/64/74/12/1123647412.db2.gz RAJAWXBEBDKGLH-MRXNPFEDSA-N 0 1 297.801 3.872 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(C)cc(Cl)c1 ZINC000335905517 1123650819 /nfs/dbraw/zinc/65/08/19/1123650819.db2.gz PBCYOTQGQNCTRF-UHFFFAOYSA-N 0 1 299.708 3.870 20 0 CHADMN CCc1nc(C)c([C@@H](C)N[C@H](C)c2ccns2)s1 ZINC000858576764 1123664632 /nfs/dbraw/zinc/66/46/32/1123664632.db2.gz MHQJUMAXJGBCDN-RKDXNWHRSA-N 0 1 281.450 3.882 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](Cc2ncccc2Cl)CC1 ZINC001307479386 1123665745 /nfs/dbraw/zinc/66/57/45/1123665745.db2.gz URMNUVMPJBWHLE-ZDUSSCGKSA-N 0 1 266.816 3.993 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1ccccc1Cl ZINC000071809496 1129137506 /nfs/dbraw/zinc/13/75/06/1129137506.db2.gz LPZWDHCNUAPFOP-UHFFFAOYSA-N 0 1 282.815 3.791 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@H]1CCCc3ccccc31)CO2 ZINC000346196736 1123671354 /nfs/dbraw/zinc/67/13/54/1123671354.db2.gz PGOZTJROWBKYGU-DLBZAZTESA-N 0 1 283.346 3.926 20 0 CHADMN CC[C@@]1(C)CCN(Cc2ncc(C(C)C)s2)C1 ZINC000346201361 1123672486 /nfs/dbraw/zinc/67/24/86/1123672486.db2.gz NDOLONKQTRUTOR-AWEZNQCLSA-N 0 1 252.427 3.889 20 0 CHADMN CCc1cnc(CN2CC[C@@H](C)C3(CCC3)C2)s1 ZINC000346305656 1123679567 /nfs/dbraw/zinc/67/95/67/1123679567.db2.gz CIWXSKHLFRPDKA-GFCCVEGCSA-N 0 1 264.438 3.718 20 0 CHADMN C[C@H]1CCCCN1Cc1ccc(Oc2ccccc2)nn1 ZINC000346353139 1123680534 /nfs/dbraw/zinc/68/05/34/1123680534.db2.gz RCLZHSBPMFVOKX-AWEZNQCLSA-N 0 1 283.375 3.643 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000275621928 1129139085 /nfs/dbraw/zinc/13/90/85/1129139085.db2.gz IABBJPKLADXROO-PWSUYJOCSA-N 0 1 275.783 3.850 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cc(Cl)n(C)n1)C(C)C ZINC000859233619 1123692244 /nfs/dbraw/zinc/69/22/44/1123692244.db2.gz UTXHDRXIYSBFHB-INIZCTEOSA-N 0 1 291.826 3.869 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2ccc(F)cc21)c1nccn1C ZINC000281296883 1123695368 /nfs/dbraw/zinc/69/53/68/1123695368.db2.gz YJWYGXJSHWLGOH-HZPDHXFCSA-N 0 1 287.382 3.678 20 0 CHADMN CC(C)c1ccoc1-c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000346557135 1123695782 /nfs/dbraw/zinc/69/57/82/1123695782.db2.gz LADKCHKGNDAZPE-UHFFFAOYSA-N 0 1 294.314 3.996 20 0 CHADMN Cc1nn(C(C)C)cc1CNC(C)(C)c1cccc(F)c1 ZINC000281320990 1123697671 /nfs/dbraw/zinc/69/76/71/1123697671.db2.gz KOAHMPJEVFMYOS-UHFFFAOYSA-N 0 1 289.398 3.936 20 0 CHADMN CCS[C@H]1CCCC[C@H]1NCc1ncc(Cl)s1 ZINC000346583424 1123697764 /nfs/dbraw/zinc/69/77/64/1123697764.db2.gz WLOJDKPWACFFTK-ZJUUUORDSA-N 0 1 290.885 3.950 20 0 CHADMN Fc1cc(CNc2ccc3nc[nH]c3c2)ccc1Cl ZINC000346645084 1123701146 /nfs/dbraw/zinc/70/11/46/1123701146.db2.gz LKUDBRJRQWTFAB-UHFFFAOYSA-N 0 1 275.714 3.968 20 0 CHADMN Cc1cccc(CN2CCC(Nc3ccc(F)cc3)CC2)n1 ZINC000346635989 1123703309 /nfs/dbraw/zinc/70/33/09/1123703309.db2.gz VGYQFHIXNGHITM-UHFFFAOYSA-N 0 1 299.393 3.606 20 0 CHADMN CCCC[C@H](COC)NC1(c2nc(C)cs2)CCC1 ZINC000346663402 1123704886 /nfs/dbraw/zinc/70/48/86/1123704886.db2.gz YBDZYKWYXSYVIU-CYBMUJFWSA-N 0 1 282.453 3.626 20 0 CHADMN CC(C)(C)c1nc(CNc2ccc3nc[nH]c3c2)cs1 ZINC000346655463 1123705057 /nfs/dbraw/zinc/70/50/57/1123705057.db2.gz DSUAPWGGOXWAQQ-UHFFFAOYSA-N 0 1 286.404 3.929 20 0 CHADMN CCOc1ccccc1CNc1ccc2nc[nH]c2c1 ZINC000346688049 1123706809 /nfs/dbraw/zinc/70/68/09/1123706809.db2.gz WIZVKVKIZNFTKE-UHFFFAOYSA-N 0 1 267.332 3.574 20 0 CHADMN CC1=C[C@H](C)C[C@@H](C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)C1 ZINC000859811835 1123710845 /nfs/dbraw/zinc/71/08/45/1123710845.db2.gz FENAGOXLASFJOQ-IMJJTQAJSA-N 0 1 293.451 3.802 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(SC)cc2)nc1 ZINC000281479736 1123712051 /nfs/dbraw/zinc/71/20/51/1123712051.db2.gz SHBYWGHYVWAUSA-GFCCVEGCSA-N 0 1 288.416 3.663 20 0 CHADMN Cc1nnc(CN2CCCC[C@H]2CCC(C)C)n1C1CC1 ZINC000158167616 1129140680 /nfs/dbraw/zinc/14/06/80/1129140680.db2.gz QOAZRYWNKBJPMH-HNNXBMFYSA-N 0 1 290.455 3.712 20 0 CHADMN Cc1ccc2ncc(CN[C@@H](C)c3ccns3)cc2c1 ZINC000860060774 1123720304 /nfs/dbraw/zinc/72/03/04/1123720304.db2.gz ALXSZAAERFYWAS-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN COc1ccncc1CN(C)[C@@H](C)c1ccc(C)cc1C ZINC000346838026 1123725165 /nfs/dbraw/zinc/72/51/65/1123725165.db2.gz DZFMKTITOKZDKQ-HNNXBMFYSA-N 0 1 284.403 3.900 20 0 CHADMN C[C@H](CC1CCCC1)C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000346875566 1123729227 /nfs/dbraw/zinc/72/92/27/1123729227.db2.gz HMHAHMMODZSZPN-GFCCVEGCSA-N 0 1 298.390 3.627 20 0 CHADMN COc1ccncc1CN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000346954481 1123735890 /nfs/dbraw/zinc/73/58/90/1123735890.db2.gz GIZVZZKRBZGKDX-HJCTWCACSA-N 0 1 294.398 3.768 20 0 CHADMN c1cncc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)CCC3)c1 ZINC000346969938 1123737991 /nfs/dbraw/zinc/73/79/91/1123737991.db2.gz LWKHAHXAJPQHKM-LJQANCHMSA-N 0 1 278.399 3.907 20 0 CHADMN Clc1cnccc1CN1CCC[C@@H](c2ccncc2)C1 ZINC000336257118 1123753054 /nfs/dbraw/zinc/75/30/54/1123753054.db2.gz FHWSPGWQXMRDKV-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN O=C(CC1CCC(F)(F)CC1)OCc1cc(C2CC2)[nH]n1 ZINC000860866748 1123754805 /nfs/dbraw/zinc/75/48/05/1123754805.db2.gz XONAVMTWMCJULF-UHFFFAOYSA-N 0 1 298.333 3.546 20 0 CHADMN FC1(F)C[C@@]12CCN(Cc1ccc(Cl)cc1)C2 ZINC000649901026 1129143679 /nfs/dbraw/zinc/14/36/79/1129143679.db2.gz FBRQCAMYMXTSEG-GFCCVEGCSA-N 0 1 257.711 3.571 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000336363648 1123766155 /nfs/dbraw/zinc/76/61/55/1123766155.db2.gz ZATQLRBCXZYHFA-MNOVXSKESA-N 0 1 291.782 3.620 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000336363648 1123766158 /nfs/dbraw/zinc/76/61/58/1123766158.db2.gz ZATQLRBCXZYHFA-MNOVXSKESA-N 0 1 291.782 3.620 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](c2ccccc2)C(C)C)nn1C ZINC000281991607 1123766994 /nfs/dbraw/zinc/76/69/94/1123766994.db2.gz CNLBPQLEYYLVAF-RHSMWYFYSA-N 0 1 271.408 3.776 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H]1CCOc2c(F)cccc21 ZINC000336402590 1123769277 /nfs/dbraw/zinc/76/92/77/1123769277.db2.gz NDWQCZJOBMXJCF-BLLLJJGKSA-N 0 1 286.350 3.704 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2nc3ccccc3n2C(F)F)C1 ZINC000444221653 1123772678 /nfs/dbraw/zinc/77/26/78/1123772678.db2.gz DOWKRAPNPZHGSI-MNOVXSKESA-N 0 1 279.334 3.662 20 0 CHADMN Cc1ccc(CN[C@H]2CCCc3c(F)cc(F)cc32)cn1 ZINC000334762797 1123774226 /nfs/dbraw/zinc/77/42/26/1123774226.db2.gz IDCZKCZAOIWBMA-KRWDZBQOSA-N 0 1 288.341 3.835 20 0 CHADMN Cc1cccc(OCCN(C)Cc2ccnc(Cl)c2)c1 ZINC000195408037 1129145188 /nfs/dbraw/zinc/14/51/88/1129145188.db2.gz RRDSZEXWSNVPSL-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN FC(F)c1ccc(CN2CCC(F)(C3CC3)CC2)cn1 ZINC000896946799 1123791518 /nfs/dbraw/zinc/79/15/18/1123791518.db2.gz YTZAJMWHAIUYRY-UHFFFAOYSA-N 0 1 284.325 3.733 20 0 CHADMN CCc1sc(-c2nnc(CN(CC)C(C)C)o2)cc1C ZINC000339034503 1123793252 /nfs/dbraw/zinc/79/32/52/1123793252.db2.gz VPANYVQRXVHMKK-UHFFFAOYSA-N 0 1 293.436 3.899 20 0 CHADMN CCc1ncc(CN(C)Cc2ccc3cc[nH]c3c2)s1 ZINC000862243152 1123794844 /nfs/dbraw/zinc/79/48/44/1123794844.db2.gz XLHCYBNAYXZXEB-UHFFFAOYSA-N 0 1 285.416 3.819 20 0 CHADMN CC[C@@]1(CO)CCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000475128926 1123796079 /nfs/dbraw/zinc/79/60/79/1123796079.db2.gz OGHDNUBNMSIXPD-AWEZNQCLSA-N 0 1 288.218 3.730 20 0 CHADMN Cc1c(CN[C@@H]2CCSc3ccccc32)ccnc1F ZINC000862261949 1123796226 /nfs/dbraw/zinc/79/62/26/1123796226.db2.gz OSESLUCYPNZKOU-CQSZACIVSA-N 0 1 288.391 3.856 20 0 CHADMN COc1ccccc1CNCc1ccc(Cl)c(F)c1 ZINC000043388237 1123804596 /nfs/dbraw/zinc/80/45/96/1123804596.db2.gz QDJSKLAUQDCPQK-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN CC(C)Cc1ccc(CN[C@H]2CCCc3cccnc32)cn1 ZINC000897072345 1123809830 /nfs/dbraw/zinc/80/98/30/1123809830.db2.gz YIUPLPODTBDOSD-SFHVURJKSA-N 0 1 295.430 3.842 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3cccnc32)cc(C)c1O ZINC000897071123 1123809985 /nfs/dbraw/zinc/80/99/85/1123809985.db2.gz VTYIOOJXFKSBCW-MRXNPFEDSA-N 0 1 282.387 3.571 20 0 CHADMN CCC[C@@H](NCc1ccccc1COC)c1ccccn1 ZINC000158551426 1129146908 /nfs/dbraw/zinc/14/69/08/1129146908.db2.gz DLABJEMDQYQGTC-QGZVFWFLSA-N 0 1 284.403 3.859 20 0 CHADMN Cc1cc(C)c(C[N@H+](C)[C@H](C)c2ccncc2)c(C)n1 ZINC000639551198 1123814834 /nfs/dbraw/zinc/81/48/34/1123814834.db2.gz JOBJXMJWCVLGFM-OAHLLOKOSA-N 0 1 269.392 3.595 20 0 CHADMN Cc1cc(C)c(CN(C)[C@H](C)c2ccncc2)c(C)n1 ZINC000639551198 1123814837 /nfs/dbraw/zinc/81/48/37/1123814837.db2.gz JOBJXMJWCVLGFM-OAHLLOKOSA-N 0 1 269.392 3.595 20 0 CHADMN Fc1cccc(F)c1C1(NC[C@H]2CCC=CO2)CCC1 ZINC000862549658 1123819613 /nfs/dbraw/zinc/81/96/13/1123819613.db2.gz FSJSXXOAIKGVQQ-GFCCVEGCSA-N 0 1 279.330 3.626 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)cc1F ZINC000475274211 1123830338 /nfs/dbraw/zinc/83/03/38/1123830338.db2.gz BBLNXDOCDHJURY-ZYHUDNBSSA-N 0 1 275.289 3.907 20 0 CHADMN C[C@H](OC(=O)C1CC=CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000119179577 1123835280 /nfs/dbraw/zinc/83/52/80/1123835280.db2.gz BRIAMSXEAHPOCX-VIFPVBQESA-N 0 1 290.750 3.787 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2cnc(C)cn2)s1 ZINC000794486596 1123847202 /nfs/dbraw/zinc/84/72/02/1123847202.db2.gz HEKBBYPRHAWMNP-NEPJUHHUSA-N 0 1 261.394 3.567 20 0 CHADMN O=C(CN1CCC[C@H]2CCC[C@H]21)Nc1ccc(Cl)cc1 ZINC000475357279 1123849026 /nfs/dbraw/zinc/84/90/26/1123849026.db2.gz QHMPXLCDBKRBLP-IUODEOHRSA-N 0 1 292.810 3.543 20 0 CHADMN CCCCCC[C@H](C)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227709817 1123857267 /nfs/dbraw/zinc/85/72/67/1123857267.db2.gz GWIAHVOJKPNUSK-QWRGUYRKSA-N 0 1 280.368 3.511 20 0 CHADMN C/C=C\C[C@@H]1CCCN(Cn2cc(C)cnc2=S)C1 ZINC000863341601 1123862544 /nfs/dbraw/zinc/86/25/44/1123862544.db2.gz SWMDFPOSUVDFOC-VQTKUKTRSA-N 0 1 277.437 3.557 20 0 CHADMN Cc1ccnc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1C ZINC001168064675 1123863031 /nfs/dbraw/zinc/86/30/31/1123863031.db2.gz GGPGLOMVDBQZHL-SWLSCSKDSA-N 0 1 274.314 3.945 20 0 CHADMN CC[C@H](NC(=O)C(C)=CC1CCC(C)CC1)c1ncc[nH]1 ZINC000867456892 1123867010 /nfs/dbraw/zinc/86/70/10/1123867010.db2.gz BTDPIMJHNQHWPF-WNOASSCLSA-N 0 1 289.423 3.750 20 0 CHADMN CN(C)[C@H](CNc1ccc2ccccc2n1)c1ccco1 ZINC000301055521 1123870211 /nfs/dbraw/zinc/87/02/11/1123870211.db2.gz DYMWALWQGQRRGN-OAHLLOKOSA-N 0 1 281.359 3.543 20 0 CHADMN Cc1cc(CN[C@@H]2CCCOc3ccccc32)c(C)o1 ZINC000119478603 1123870561 /nfs/dbraw/zinc/87/05/61/1123870561.db2.gz NUNDTFRPUKOQIY-MRXNPFEDSA-N 0 1 271.360 3.900 20 0 CHADMN CC(C)[C@H](N)c1noc([C@H]2CC[C@@H]2c2ccc(F)cc2)n1 ZINC000863658157 1123885204 /nfs/dbraw/zinc/88/52/04/1123885204.db2.gz ZBFHAJYWBYTCMM-RDBSUJKOSA-N 0 1 289.354 3.526 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1scnc1Cl ZINC000864051922 1123914272 /nfs/dbraw/zinc/91/42/72/1123914272.db2.gz WFZNGJJCKSQWFR-PBINXNQUSA-N 0 1 256.802 3.559 20 0 CHADMN FC(F)(F)c1cnccc1NC[C@H]1CCCC12CC2 ZINC000864090549 1123916757 /nfs/dbraw/zinc/91/67/57/1123916757.db2.gz GJCKTOMCQHTIKW-SNVBAGLBSA-N 0 1 270.298 3.515 20 0 CHADMN Cc1cc(N2C[C@H]3CCC[C@@H]3C2)c2cc(F)ccc2n1 ZINC000301637262 1123919818 /nfs/dbraw/zinc/91/98/18/1123919818.db2.gz AHYMOFGAUSKWCA-CHWSQXEVSA-N 0 1 270.351 3.919 20 0 CHADMN Cc1ccc(OCCCNc2cc(C)ccn2)cc1 ZINC000301664066 1123922826 /nfs/dbraw/zinc/92/28/26/1123922826.db2.gz VRERDJLGKDPSND-UHFFFAOYSA-N 0 1 256.349 3.579 20 0 CHADMN Cc1cc(NC[C@@H](O)CC(C)C)c2cc(F)ccc2n1 ZINC000301674144 1123923815 /nfs/dbraw/zinc/92/38/15/1123923815.db2.gz PDAACIYRNXXFKM-ZDUSSCGKSA-N 0 1 276.355 3.501 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCOC2(CCCC2)C1 ZINC000301721911 1123926825 /nfs/dbraw/zinc/92/68/25/1123926825.db2.gz QYTOCDSMBYTXOH-UHFFFAOYSA-N 0 1 286.350 3.523 20 0 CHADMN Clc1cncc(CN2CCS[C@H]3CCCC[C@H]32)c1 ZINC000621262051 1129153574 /nfs/dbraw/zinc/15/35/74/1129153574.db2.gz MPUHRTXKXQYLQC-KGLIPLIRSA-N 0 1 282.840 3.595 20 0 CHADMN FC(F)(F)CCN(Cc1cncc(Cl)c1)CC1CC1 ZINC000621262057 1129153687 /nfs/dbraw/zinc/15/36/87/1129153687.db2.gz MQTHEYQLKLEZGF-UHFFFAOYSA-N 0 1 292.732 3.899 20 0 CHADMN Fc1ccc2c(c1)nccc2N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000301805104 1123934956 /nfs/dbraw/zinc/93/49/56/1123934956.db2.gz DWJIZXSGPYXWMP-IAOVAPTHSA-N 0 1 298.361 3.743 20 0 CHADMN Cc1ccc2[nH+]ccc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000302108131 1123954811 /nfs/dbraw/zinc/95/48/11/1123954811.db2.gz AVNJTFKOYAOGAI-AWEZNQCLSA-N 0 1 292.386 3.650 20 0 CHADMN Cc1cccc(NCC2(c3cccc(F)c3)CC2)n1 ZINC000302237818 1123964421 /nfs/dbraw/zinc/96/44/21/1123964421.db2.gz KXCQYINDQAMFCB-UHFFFAOYSA-N 0 1 256.324 3.673 20 0 CHADMN C[C@@H](NC(=O)c1ccccc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000205297639 1123964796 /nfs/dbraw/zinc/96/47/96/1123964796.db2.gz OXHVCLHBLAJXDY-SNVBAGLBSA-N 0 1 299.761 3.707 20 0 CHADMN C[C@H](NCc1cccnc1F)c1ccc2c(c1)CCC2 ZINC000794832786 1123967516 /nfs/dbraw/zinc/96/75/16/1123967516.db2.gz DHTSVLXNAYAXAR-LBPRGKRZSA-N 0 1 270.351 3.560 20 0 CHADMN COc1cc(C)c([C@@H](C)NCc2cccnc2F)cc1C ZINC000794836160 1123972453 /nfs/dbraw/zinc/97/24/53/1123972453.db2.gz NSPYSQNHKPPGBQ-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN Cc1cc(N2CCSC[C@H](C)C2)c2cc(F)ccc2n1 ZINC000302702533 1123979526 /nfs/dbraw/zinc/97/95/26/1123979526.db2.gz GBPYIHOGYFGVBB-LLVKDONJSA-N 0 1 290.407 3.872 20 0 CHADMN CCN(c1ccc(NCc2ccc(=O)[nH]c2)cc1)C(C)C ZINC000865422179 1123982816 /nfs/dbraw/zinc/98/28/16/1123982816.db2.gz ISSWADNKFDOVFK-UHFFFAOYSA-N 0 1 285.391 3.634 20 0 CHADMN Cc1nc(C)c(CN[C@H]2CCc3c2nccc3Cl)s1 ZINC000925146186 1123984052 /nfs/dbraw/zinc/98/40/52/1123984052.db2.gz CYVHMEMWSQHOTI-LBPRGKRZSA-N 0 1 293.823 3.585 20 0 CHADMN CCCOc1ccc([C@@H](C)NCc2cccnc2F)cc1 ZINC000794837048 1123984125 /nfs/dbraw/zinc/98/41/25/1123984125.db2.gz UCULAGTWGUAXHO-CYBMUJFWSA-N 0 1 288.366 3.860 20 0 CHADMN CCOc1cc(F)cc(CN[C@H](C)c2cccc(O)c2)c1 ZINC000865450124 1123985218 /nfs/dbraw/zinc/98/52/18/1123985218.db2.gz LFDYZYSPFJSELJ-GFCCVEGCSA-N 0 1 289.350 3.781 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cn(C2CC2)cn1)C1CC1 ZINC000865459326 1123986219 /nfs/dbraw/zinc/98/62/19/1123986219.db2.gz DCCZZWNYSRVETN-SFHVURJKSA-N 0 1 281.403 3.767 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cnc2c(F)cccc2c1 ZINC000865462399 1123986235 /nfs/dbraw/zinc/98/62/35/1123986235.db2.gz NLSKQDVPCQKSJG-SNVBAGLBSA-N 0 1 299.349 3.830 20 0 CHADMN Cc1ncsc1CNCc1cccc(OC(C)(C)C)c1 ZINC000865453362 1123986532 /nfs/dbraw/zinc/98/65/32/1123986532.db2.gz ZXHHKSRIFOCIES-UHFFFAOYSA-N 0 1 290.432 3.919 20 0 CHADMN CC(C)(NCc1cc2c(cc[nH]c2=O)o1)c1cccs1 ZINC000865469428 1123986955 /nfs/dbraw/zinc/98/69/55/1123986955.db2.gz OCMOAYHWKNNDGL-UHFFFAOYSA-N 0 1 288.372 3.620 20 0 CHADMN Cc1nccnc1CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000621327055 1129163501 /nfs/dbraw/zinc/16/35/01/1129163501.db2.gz AGYJRISZMQABLI-MRXNPFEDSA-N 0 1 289.810 3.925 20 0 CHADMN COc1ccc(C2(NCc3cncc(Cl)c3)CC2)cc1 ZINC000621273862 1129159551 /nfs/dbraw/zinc/15/95/51/1129159551.db2.gz PPPNTEOLBHEBFH-UHFFFAOYSA-N 0 1 288.778 3.523 20 0 CHADMN Cc1csc(CNCc2cnc(Cl)c(F)c2)c1 ZINC000865586367 1123996648 /nfs/dbraw/zinc/99/66/48/1123996648.db2.gz AYAZUZJWUMSASA-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN COCC1CCC(Nc2cc[nH+]c3c([O-])cccc23)CC1 ZINC000665748505 1123999214 /nfs/dbraw/zinc/99/92/14/1123999214.db2.gz QQARMKWEVIAUPA-UHFFFAOYSA-N 0 1 286.375 3.558 20 0 CHADMN CC(C)(C)OCCCNCc1c(Cl)cncc1Cl ZINC000865625905 1123999723 /nfs/dbraw/zinc/99/97/23/1123999723.db2.gz CUIAKMLCPVLYAO-UHFFFAOYSA-N 0 1 291.222 3.683 20 0 CHADMN Cc1c(Cl)cccc1CNCc1c(C2CC2)cnn1C ZINC000865626850 1124001438 /nfs/dbraw/zinc/00/14/38/1124001438.db2.gz CJZCYKTXYYOQQU-UHFFFAOYSA-N 0 1 289.810 3.549 20 0 CHADMN Cc1cc(CNCc2cn(C(F)F)c3ccccc23)on1 ZINC000865642331 1124002404 /nfs/dbraw/zinc/00/24/04/1124002404.db2.gz FRSOXWNXSSHFKU-UHFFFAOYSA-N 0 1 291.301 3.623 20 0 CHADMN Cc1nocc1CNCc1ccc(SC(F)F)cc1 ZINC000865678858 1124004772 /nfs/dbraw/zinc/00/47/72/1124004772.db2.gz RYBOMLNJZXIQMI-UHFFFAOYSA-N 0 1 284.331 3.588 20 0 CHADMN CC(C)c1ccc(-c2noc(CN3CC[C@H](C)C3)n2)cc1 ZINC000261381055 1124004814 /nfs/dbraw/zinc/00/48/14/1124004814.db2.gz DMIBDHPLMHHTQH-ZDUSSCGKSA-N 0 1 285.391 3.702 20 0 CHADMN C[C@@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 ZINC000261396485 1124011904 /nfs/dbraw/zinc/01/19/04/1124011904.db2.gz XRCUADGOTWPPSK-SNVBAGLBSA-N 0 1 274.191 3.714 20 0 CHADMN CCC1(Cc2ccccc2)CCN(Cc2ccn(C)n2)CC1 ZINC000475578956 1124017956 /nfs/dbraw/zinc/01/79/56/1124017956.db2.gz DXYLRWWYUXGGJQ-UHFFFAOYSA-N 0 1 297.446 3.655 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)CC(C)(F)F)cc2[nH]1 ZINC000475585732 1124019986 /nfs/dbraw/zinc/01/99/86/1124019986.db2.gz KGHGUMGDVMZJAM-UHFFFAOYSA-N 0 1 295.333 3.844 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@H](C)c1cc2ccccc2o1 ZINC000035011487 1124022505 /nfs/dbraw/zinc/02/25/05/1124022505.db2.gz YWKXUCIVOHAWPY-GFCCVEGCSA-N 0 1 283.375 3.634 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000444440961 1124023922 /nfs/dbraw/zinc/02/39/22/1124023922.db2.gz TVDPYPHCHHQPCK-VXGBXAGGSA-N 0 1 296.361 3.610 20 0 CHADMN CC(C)(C)c1cnc(CNCC2(C(F)(F)F)CC2)s1 ZINC000353058885 1124024142 /nfs/dbraw/zinc/02/41/42/1124024142.db2.gz ZWPCVAAQDDPUNT-UHFFFAOYSA-N 0 1 292.370 3.873 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N1CCC[C@@H](C)C1 ZINC000621292076 1129161294 /nfs/dbraw/zinc/16/12/94/1129161294.db2.gz NXABKNKZJNSPQT-DGCLKSJQSA-N 0 1 294.826 3.707 20 0 CHADMN CC(C)SCCNCc1c(F)cccc1Cl ZINC000380552919 1124028835 /nfs/dbraw/zinc/02/88/35/1124028835.db2.gz KIVDQKOIXGPQFG-UHFFFAOYSA-N 0 1 261.793 3.710 20 0 CHADMN C[C@H](NCc1ccc(Cl)nc1)c1ccc(Cl)nc1 ZINC000179108760 1124030399 /nfs/dbraw/zinc/03/03/99/1124030399.db2.gz WSGZFUFRHOOZCN-VIFPVBQESA-N 0 1 282.174 3.634 20 0 CHADMN COc1cc(C)cc(CNCc2ccccc2C)c1OC ZINC000885898301 1124034974 /nfs/dbraw/zinc/03/49/74/1124034974.db2.gz BNUPKKNCURKXCP-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN CC(C)c1nc(CN(CC2CCC2)c2ccccc2)n[nH]1 ZINC000428366419 1124039089 /nfs/dbraw/zinc/03/90/89/1124039089.db2.gz XQOOSSSCPXUXEC-UHFFFAOYSA-N 0 1 284.407 3.735 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1NCc1ccncc1F ZINC000336222324 1124043604 /nfs/dbraw/zinc/04/36/04/1124043604.db2.gz WLSLTVHVFSUPQN-PXAZEXFGSA-N 0 1 270.351 3.634 20 0 CHADMN CC(C)N(C)CC(=O)N1C[C@H](C(C)(C)C)c2ccccc21 ZINC000444631450 1124046854 /nfs/dbraw/zinc/04/68/54/1124046854.db2.gz LYNFISGDXONMRC-HNNXBMFYSA-N 0 1 288.435 3.503 20 0 CHADMN CC(C)C[C@H]1CCCN(Cc2nncn2-c2ccccc2)C1 ZINC000444640142 1124049122 /nfs/dbraw/zinc/04/91/22/1124049122.db2.gz NFVFTPWCJSYIEN-MRXNPFEDSA-N 0 1 298.434 3.525 20 0 CHADMN Cc1cc(C)cc(CNc2nccn2CC(C)C)c1 ZINC000508504570 1124051120 /nfs/dbraw/zinc/05/11/20/1124051120.db2.gz NCZNROBUVZMILQ-UHFFFAOYSA-N 0 1 257.381 3.768 20 0 CHADMN CCc1ccc([C@H](NCc2nccnc2C)C(C)C)cc1 ZINC000621326283 1129163035 /nfs/dbraw/zinc/16/30/35/1129163035.db2.gz DFFOALAAJWMMCI-GOSISDBHSA-N 0 1 283.419 3.834 20 0 CHADMN Fc1ccc(Cl)cc1CN1CCCC12CCC2 ZINC000444779831 1124059479 /nfs/dbraw/zinc/05/94/79/1124059479.db2.gz ZCMYSHZDMYLJLR-UHFFFAOYSA-N 0 1 253.748 3.998 20 0 CHADMN CCc1ccc(-c2noc(CN3CCCC34CCC4)n2)cc1 ZINC000444779968 1124059581 /nfs/dbraw/zinc/05/95/81/1124059581.db2.gz ZSOKSVQCJIHISD-UHFFFAOYSA-N 0 1 297.402 3.818 20 0 CHADMN CCC[C@@]1(CO)CCCN1Cc1nc(C(C)(C)C)cs1 ZINC000444765775 1124060885 /nfs/dbraw/zinc/06/08/85/1124060885.db2.gz JXTLANMPCJTFSQ-INIZCTEOSA-N 0 1 296.480 3.568 20 0 CHADMN CSCC1(CCN[C@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866387214 1124061426 /nfs/dbraw/zinc/06/14/26/1124061426.db2.gz QEMRBTMKERTUBQ-HIFRSBDPSA-N 0 1 295.423 3.581 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000444771809 1124062963 /nfs/dbraw/zinc/06/29/63/1124062963.db2.gz KQVNMAHHGUORAS-HNNXBMFYSA-N 0 1 275.440 3.866 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H]1CCCC[C@@H]1F ZINC000866449412 1124066198 /nfs/dbraw/zinc/06/61/98/1124066198.db2.gz BLNYQQNMPUVNEX-GARJFASQSA-N 0 1 257.374 3.688 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H]2CCc3nc(Cl)ccc32)s1 ZINC000866456319 1124068400 /nfs/dbraw/zinc/06/84/00/1124068400.db2.gz XZYJHULRLFOLRU-KCJUWKMLSA-N 0 1 293.823 3.838 20 0 CHADMN CCCC[C@H](NCc1nccnc1C)c1ccc(OC)cc1 ZINC000621333839 1129164178 /nfs/dbraw/zinc/16/41/78/1129164178.db2.gz SRMFTOFHZXPNKL-KRWDZBQOSA-N 0 1 299.418 3.815 20 0 CHADMN Cc1ccc([C@@H](NCc2ccnc(F)c2)C2CCC2)o1 ZINC000866472570 1124069353 /nfs/dbraw/zinc/06/93/53/1124069353.db2.gz BMMRTNFECIMBPT-INIZCTEOSA-N 0 1 274.339 3.753 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1ccnc(F)c1 ZINC000866475401 1124069758 /nfs/dbraw/zinc/06/97/58/1124069758.db2.gz YEISDVCVUOTJFO-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN CC[C@@H](NCc1ccnc(F)c1)c1ccsc1 ZINC000866473258 1124069944 /nfs/dbraw/zinc/06/99/44/1124069944.db2.gz CIUZJVZYFBAULM-GFCCVEGCSA-N 0 1 250.342 3.523 20 0 CHADMN CC[C@H](NCc1ccnc(F)c1)c1cc(C)ccc1OC ZINC000866474678 1124070429 /nfs/dbraw/zinc/07/04/29/1124070429.db2.gz ZCFLKZRTTQFTHC-HNNXBMFYSA-N 0 1 288.366 3.779 20 0 CHADMN Cc1nccnc1CN[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000621331726 1129164314 /nfs/dbraw/zinc/16/43/14/1129164314.db2.gz LQRPGXHLYGWVFB-GOSISDBHSA-N 0 1 299.393 3.945 20 0 CHADMN CC(C)c1n[nH]cc1C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000444999843 1124072011 /nfs/dbraw/zinc/07/20/11/1124072011.db2.gz WZQWTANLXMVLDQ-UHFFFAOYSA-N 0 1 292.408 3.539 20 0 CHADMN CCSc1ccc([C@@H](C)NCc2nccnc2C)cc1 ZINC000621333907 1129164428 /nfs/dbraw/zinc/16/44/28/1129164428.db2.gz WKIJDEFZSDIZBS-GFCCVEGCSA-N 0 1 287.432 3.748 20 0 CHADMN CC[C@@H](C)CN[C@H](CO)c1c(Cl)cccc1Cl ZINC000475622190 1124075157 /nfs/dbraw/zinc/07/51/57/1124075157.db2.gz GESYIGAXTKAYMZ-BXKDBHETSA-N 0 1 276.207 3.663 20 0 CHADMN C[C@H]1Cc2ccccc2[C@H]1NCc1noc2ccc(F)cc12 ZINC000866511162 1124076763 /nfs/dbraw/zinc/07/67/63/1124076763.db2.gz NEWRGYATSJTRCA-VOJFVSQTSA-N 0 1 296.345 3.990 20 0 CHADMN Cc1csc(-c2noc(-c3ccc(O)c(Cl)c3)n2)n1 ZINC000445215948 1124077022 /nfs/dbraw/zinc/07/70/22/1124077022.db2.gz DWTNCZUQGUMKSY-UHFFFAOYSA-N 0 1 293.735 3.528 20 0 CHADMN CCc1nc(CN(C)[C@H](C)Cc2cccc(F)c2)cs1 ZINC000445225719 1124078344 /nfs/dbraw/zinc/07/83/44/1124078344.db2.gz RLOKSHCXVGJARS-GFCCVEGCSA-N 0 1 292.423 3.908 20 0 CHADMN Cc1nc(CN[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)cs1 ZINC000367201967 1124079999 /nfs/dbraw/zinc/07/99/99/1124079999.db2.gz WLXOPYXTXPHQAM-YEORSEQZSA-N 0 1 294.370 3.766 20 0 CHADMN COCCN(Cc1ccccc1OC)[C@H](C)c1ccccc1 ZINC000508526279 1124080152 /nfs/dbraw/zinc/08/01/52/1124080152.db2.gz BUKWHKOPDUPAPI-MRXNPFEDSA-N 0 1 299.414 3.905 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1Cl)N1CC[C@@](C)(O)C1 ZINC000445381525 1124082196 /nfs/dbraw/zinc/08/21/96/1124082196.db2.gz YDNCCPAFCROIPF-ZIAGYGMSSA-N 0 1 288.218 3.901 20 0 CHADMN C[C@@H](N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1nccs1 ZINC000866608012 1124086806 /nfs/dbraw/zinc/08/68/06/1124086806.db2.gz CXOJSLWFZCWDLN-OPRDCNLKSA-N 0 1 276.327 3.691 20 0 CHADMN Cc1csc([C@@H](C)N[C@@H]2CC=CC[C@H]2C(F)(F)F)n1 ZINC000866608621 1124087633 /nfs/dbraw/zinc/08/76/33/1124087633.db2.gz HFOWBTUNSUZREB-GMTAPVOTSA-N 0 1 290.354 3.999 20 0 CHADMN C[C@@H](N[C@@H](C)c1csc(Cl)c1)c1ccnn1C ZINC000866613952 1124088485 /nfs/dbraw/zinc/08/84/85/1124088485.db2.gz KDGXXLCPANTCAV-DTWKUNHWSA-N 0 1 269.801 3.547 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1nccc2ccccc21 ZINC000631753658 1124093981 /nfs/dbraw/zinc/09/39/81/1124093981.db2.gz QFQWVFFDLSQYGW-ZWKOPEQDSA-N 0 1 280.293 3.836 20 0 CHADMN CCSCCCc1noc([C@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000445748741 1124098892 /nfs/dbraw/zinc/09/88/92/1124098892.db2.gz LVFCZZPVISPIHE-XQQFMLRXSA-N 0 1 297.468 3.689 20 0 CHADMN CCc1ccccc1CN1CCO[C@@H](c2ccccc2)C1 ZINC000445800152 1124101233 /nfs/dbraw/zinc/10/12/33/1124101233.db2.gz UNBNQIUASORVOE-LJQANCHMSA-N 0 1 281.399 3.823 20 0 CHADMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1cnoc1C ZINC000445814158 1124101927 /nfs/dbraw/zinc/10/19/27/1124101927.db2.gz SADWAYBFXBTILK-MEBBXXQBSA-N 0 1 294.782 3.502 20 0 CHADMN Fc1ccccc1-n1ccc(CN2CCC[C@@H]3CCC[C@H]32)n1 ZINC000445811654 1124102046 /nfs/dbraw/zinc/10/20/46/1124102046.db2.gz RSQHXPYZOCBDIP-WMLDXEAASA-N 0 1 299.393 3.776 20 0 CHADMN Cc1cccc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c1C ZINC000086754801 1129166306 /nfs/dbraw/zinc/16/63/06/1129166306.db2.gz QDTFZVPJBDDXQF-MRXNPFEDSA-N 0 1 275.392 3.523 20 0 CHADMN CC(C)C1CCC(N(C)C(=O)c2cccc3c[nH]nc32)CC1 ZINC000508548081 1124106841 /nfs/dbraw/zinc/10/68/41/1124106841.db2.gz LHDVCEJIIWDNCI-UHFFFAOYSA-N 0 1 299.418 3.850 20 0 CHADMN COCc1nc(CN(C)[C@@H]2CCC[C@H]2C(C)(C)C)cs1 ZINC000418109206 1124107346 /nfs/dbraw/zinc/10/73/46/1124107346.db2.gz HXGQTCKCQBOZRL-ZIAGYGMSSA-N 0 1 296.480 3.936 20 0 CHADMN C[C@@H](NCC(F)F)C1CCC(C(F)(F)F)CC1 ZINC000459537874 1124107610 /nfs/dbraw/zinc/10/76/10/1124107610.db2.gz ARAFIQKGAHZTRW-AFPNSQJFSA-N 0 1 259.262 3.598 20 0 CHADMN CCc1nc(C)c(CN2C[C@H](C)C[C@H]2c2cccnc2)o1 ZINC000428432405 1124109947 /nfs/dbraw/zinc/10/99/47/1124109947.db2.gz YRURQAFATMOKAF-DOMZBBRYSA-N 0 1 285.391 3.524 20 0 CHADMN FC(F)(F)c1cc2nc(-c3ccccc3)[nH]c2cn1 ZINC000446149078 1124110000 /nfs/dbraw/zinc/11/00/00/1124110000.db2.gz INSNGYSFILBKAS-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1cccc2ncccc12 ZINC000634980386 1129168469 /nfs/dbraw/zinc/16/84/69/1129168469.db2.gz DLEMNZGAFYGCNG-UHFFFAOYSA-N 0 1 295.386 3.865 20 0 CHADMN CC[C@@H]1CCN(Cc2csc(Cc3ccccc3)n2)C1 ZINC000446714112 1124118566 /nfs/dbraw/zinc/11/85/66/1124118566.db2.gz FBJHJOCAXKWTPW-CQSZACIVSA-N 0 1 286.444 3.966 20 0 CHADMN CC[C@@H](NCc1cccc2ncccc12)c1nccs1 ZINC000634963281 1129167390 /nfs/dbraw/zinc/16/73/90/1129167390.db2.gz OSNBSVFNQOLEFW-CQSZACIVSA-N 0 1 283.400 3.932 20 0 CHADMN C=Cn1cc(CN2CC=C(c3ccc(CC)cc3)CC2)cn1 ZINC000446751394 1124120966 /nfs/dbraw/zinc/12/09/66/1124120966.db2.gz CUSWYNKWJNJFTM-UHFFFAOYSA-N 0 1 293.414 3.835 20 0 CHADMN CCC1(CC)CCN(Cc2nc(CCC(C)C)no2)C1 ZINC000446736845 1124121353 /nfs/dbraw/zinc/12/13/53/1124121353.db2.gz WTSFFWFVTMVIJC-UHFFFAOYSA-N 0 1 279.428 3.670 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1Cc1nc(CC(C)C)no1 ZINC000525328197 1124122640 /nfs/dbraw/zinc/12/26/40/1124122640.db2.gz CXYMTOBHMPZCRE-KBPBESRZSA-N 0 1 279.428 3.669 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H]2CC(C)(C)C[C@H]2C)no1 ZINC000446793423 1124122658 /nfs/dbraw/zinc/12/26/58/1124122658.db2.gz DQTQSJGCCGTJFC-HIFRSBDPSA-N 0 1 299.418 3.959 20 0 CHADMN CCCc1csc(CN2CCCC23CCC3)n1 ZINC000446829955 1124124445 /nfs/dbraw/zinc/12/44/45/1124124445.db2.gz NCNSXJXHAXWHFL-UHFFFAOYSA-N 0 1 250.411 3.614 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)c1ccncc1)c1ccncc1 ZINC000193200349 1124124763 /nfs/dbraw/zinc/12/47/63/1124124763.db2.gz UTICTDKFOFSHIL-HNAYVOBHSA-N 0 1 289.382 3.917 20 0 CHADMN Cc1cccc(C)c1[C@@H](C)N[C@H](C)c1nccnc1C ZINC000446883930 1124127738 /nfs/dbraw/zinc/12/77/38/1124127738.db2.gz MQIDQIHZHJERBW-UKRRQHHQSA-N 0 1 269.392 3.814 20 0 CHADMN CC1(C)CC[C@@H](N[C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000446924445 1124128351 /nfs/dbraw/zinc/12/83/51/1124128351.db2.gz GOUGHDYOPDPQTE-CABCVRRESA-N 0 1 287.382 3.807 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(C(C)(C)C)on1 ZINC000429709884 1124134273 /nfs/dbraw/zinc/13/42/73/1124134273.db2.gz SOTNYTNOBNUFFH-CYBMUJFWSA-N 0 1 250.386 3.737 20 0 CHADMN c1cc([C@H]2CCCN2Cc2cccc3ccccc32)n[nH]1 ZINC000429710336 1124134529 /nfs/dbraw/zinc/13/45/29/1124134529.db2.gz VUPMRNVPKGGPJJ-GOSISDBHSA-N 0 1 277.371 3.900 20 0 CHADMN CCOc1cncc(CNCc2cc3cc(C)ccc3o2)c1 ZINC000621370573 1129168234 /nfs/dbraw/zinc/16/82/34/1129168234.db2.gz MBTPEOQIVMCCRE-UHFFFAOYSA-N 0 1 296.370 3.825 20 0 CHADMN CC(C)(C)[C@H]1CCC[C@@H]([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086962510 1129170086 /nfs/dbraw/zinc/17/00/86/1129170086.db2.gz QKCMTSSXFVXZLC-BFHYXJOUSA-N 0 1 267.413 3.530 20 0 CHADMN CC(C)(C)[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086962508 1129170130 /nfs/dbraw/zinc/17/01/30/1129170130.db2.gz QKCMTSSXFVXZLC-MGPQQGTHSA-N 0 1 267.413 3.530 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(C)co2)cc1F ZINC000718095105 1129171349 /nfs/dbraw/zinc/17/13/49/1129171349.db2.gz RJQLZTIERTXEJF-NSHDSACASA-N 0 1 263.312 3.587 20 0 CHADMN O=C([O-])[C@H]1CCCC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000414676791 1129175203 /nfs/dbraw/zinc/17/52/03/1129175203.db2.gz HQIOADDAPMEJHC-GOSISDBHSA-N 0 1 295.382 3.793 20 0 CHADMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000414671469 1129175229 /nfs/dbraw/zinc/17/52/29/1129175229.db2.gz BBAACGYOYWGWIQ-GOSISDBHSA-N 0 1 295.382 3.650 20 0 CHADMN Cc1cc(F)cc(CN2CCC3(CCCO3)CC2)c1Cl ZINC001238782352 1131246008 /nfs/dbraw/zinc/24/60/08/1131246008.db2.gz WLVBHIWBSXHGNN-UHFFFAOYSA-N 0 1 297.801 3.933 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CCCC12CC2 ZINC001238780102 1131246034 /nfs/dbraw/zinc/24/60/34/1131246034.db2.gz FMFGLMXSBNQBAD-UHFFFAOYSA-N 0 1 253.748 3.916 20 0 CHADMN Cc1cccc(-n2[nH]c(C3CC(F)(F)C3)cc2=O)c1C ZINC001245922878 1131246649 /nfs/dbraw/zinc/24/66/49/1131246649.db2.gz BNQSAGYSFLCTNL-UHFFFAOYSA-N 0 1 278.302 3.707 20 0 CHADMN Cc1cc(F)cc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c1Cl ZINC001238780245 1131246847 /nfs/dbraw/zinc/24/68/47/1131246847.db2.gz BVJDMTUTPKULLQ-TVYUQYBPSA-N 0 1 271.738 3.720 20 0 CHADMN c1cn(-c2ccnc(-c3ccc(C4CC4)cc3)c2)cn1 ZINC001238832187 1131252364 /nfs/dbraw/zinc/25/23/64/1131252364.db2.gz SPHPFPBWORYSHP-UHFFFAOYSA-N 0 1 261.328 3.812 20 0 CHADMN CCN(CCn1cccn1)Cc1c(C)cc(F)cc1Cl ZINC001238786162 1131247811 /nfs/dbraw/zinc/24/78/11/1131247811.db2.gz YXINYBUOFOIWNS-UHFFFAOYSA-N 0 1 295.789 3.506 20 0 CHADMN CC(C)Oc1cc(CN(C)C2CCCCC2)c(F)cn1 ZINC001238792789 1131249638 /nfs/dbraw/zinc/24/96/38/1131249638.db2.gz DIKNCDHCKOTGCT-UHFFFAOYSA-N 0 1 280.387 3.772 20 0 CHADMN CC(C)Oc1cc(CN2CCCCC[C@@H]2C)c(F)cn1 ZINC001238803741 1131250063 /nfs/dbraw/zinc/25/00/63/1131250063.db2.gz FUQCYGNPGAQPQU-ZDUSSCGKSA-N 0 1 280.387 3.772 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1ccc(C2CC2)cc1 ZINC001238832826 1131252647 /nfs/dbraw/zinc/25/26/47/1131252647.db2.gz ZPDKBASXRVWJOA-UHFFFAOYSA-N 0 1 253.280 3.641 20 0 CHADMN CC(C)Cc1cc(=O)n(CCc2ccccc2Cl)[nH]1 ZINC001245933491 1131254061 /nfs/dbraw/zinc/25/40/61/1131254061.db2.gz UDBSXHQPAHAIJK-UHFFFAOYSA-N 0 1 278.783 3.683 20 0 CHADMN F[C@@H]1CCCN([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170931856 1131256275 /nfs/dbraw/zinc/25/62/75/1131256275.db2.gz BALBCMYLUUCSOY-CHWSQXEVSA-N 0 1 267.775 3.631 20 0 CHADMN F[C@@H]1CCCN([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170931857 1131256361 /nfs/dbraw/zinc/25/63/61/1131256361.db2.gz BALBCMYLUUCSOY-OLZOCXBDSA-N 0 1 267.775 3.631 20 0 CHADMN Cc1cc(C)cc(C2=NN(CC3CCC3)C(=O)C2)c1 ZINC001245949418 1131259318 /nfs/dbraw/zinc/25/93/18/1131259318.db2.gz PGYYMROLKONKRX-UHFFFAOYSA-N 0 1 256.349 3.673 20 0 CHADMN CN(Cc1cc[nH]n1)CC1CCC(C(C)(C)C)CC1 ZINC000525623014 1124453076 /nfs/dbraw/zinc/45/30/76/1124453076.db2.gz WWNYCTBIODQHHY-UHFFFAOYSA-N 0 1 263.429 3.694 20 0 CHADMN CO[C@@H]1CN(Cc2ccc(C)cc2Cl)CC[C@H]1C ZINC000447273362 1124458435 /nfs/dbraw/zinc/45/84/35/1124458435.db2.gz UZLUCYXQELBBHI-IUODEOHRSA-N 0 1 267.800 3.505 20 0 CHADMN CC[C@H]1[C@@H](C)CCN1Cc1cncc(C(F)(F)F)c1 ZINC000361396894 1124469583 /nfs/dbraw/zinc/46/95/83/1124469583.db2.gz VPDHOVHGRLDQJU-GWCFXTLKSA-N 0 1 272.314 3.721 20 0 CHADMN CCc1nc(C)c(CN(CC)Cc2ccccc2C)o1 ZINC000428489381 1124490706 /nfs/dbraw/zinc/49/07/06/1124490706.db2.gz VFRQADAEWHSUIQ-UHFFFAOYSA-N 0 1 272.392 3.876 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(Cl)c(F)c2)c(C)nn1 ZINC001119769450 1131263560 /nfs/dbraw/zinc/26/35/60/1131263560.db2.gz NGDHEMKJKUXBFO-JTQLQIEISA-N 0 1 293.773 3.737 20 0 CHADMN C[C@@H](N[C@H](C)c1ccnn1C)c1cc2cccc(F)c2o1 ZINC000447591197 1124493588 /nfs/dbraw/zinc/49/35/88/1124493588.db2.gz CDNQQBHHGHSWAQ-GHMZBOCLSA-N 0 1 287.338 3.717 20 0 CHADMN CCc1c(Cl)cc(NC(=O)NC(C)C)c(O)c1Cl ZINC001202527073 1124494445 /nfs/dbraw/zinc/49/44/45/1124494445.db2.gz DZDYCZYMUFEJOV-UHFFFAOYSA-N 0 1 291.178 3.791 20 0 CHADMN C=Cn1cc(CN(CC)[C@H](C)c2ccc(F)cc2)cn1 ZINC000447744162 1124520159 /nfs/dbraw/zinc/52/01/59/1124520159.db2.gz JNWABYFSILJVHI-CYBMUJFWSA-N 0 1 273.355 3.706 20 0 CHADMN c1nc2cncc(-c3csc4ccccc34)c2[nH]1 ZINC001238889806 1131266779 /nfs/dbraw/zinc/26/67/79/1131266779.db2.gz HJWIUAVDQAJGOM-UHFFFAOYSA-N 0 1 251.314 3.840 20 0 CHADMN CC1(C)CN(Cc2cnc(CC(F)(F)F)s2)C1(C)C ZINC001119937013 1131266866 /nfs/dbraw/zinc/26/68/66/1131266866.db2.gz PVBMABKXZGLZRA-UHFFFAOYSA-N 0 1 292.370 3.868 20 0 CHADMN CCCn1ncnc1CN1CCCC2(CCCCC2)CC1 ZINC000447878702 1124540877 /nfs/dbraw/zinc/54/08/77/1124540877.db2.gz KRJNBMXZFHAZFR-UHFFFAOYSA-N 0 1 290.455 3.625 20 0 CHADMN CCC1CN(Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC001119972061 1131267995 /nfs/dbraw/zinc/26/79/95/1131267995.db2.gz RMINPJLGJOIRPW-UHFFFAOYSA-N 0 1 296.436 3.937 20 0 CHADMN CCOCc1cncc(-c2cc(N3CCCCC3)ccn2)c1 ZINC001238912585 1131269219 /nfs/dbraw/zinc/26/92/19/1131269219.db2.gz NKNVEUUOTWBICX-UHFFFAOYSA-N 0 1 297.402 3.670 20 0 CHADMN COC[C@@H](C)CN1CCc2c(Cl)c(Cl)ccc2C1 ZINC000527355822 1124574737 /nfs/dbraw/zinc/57/47/37/1124574737.db2.gz QSORATBKUGGREQ-JTQLQIEISA-N 0 1 288.218 3.634 20 0 CHADMN Cc1cc(-c2cc3[nH]ccc3cn2)cnc1OCC(C)C ZINC001238922548 1131269897 /nfs/dbraw/zinc/26/98/97/1131269897.db2.gz XZKKKLQSNBEQNH-UHFFFAOYSA-N 0 1 281.359 3.968 20 0 CHADMN Clc1ccc(CC[N@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC000639865311 1124580717 /nfs/dbraw/zinc/58/07/17/1124580717.db2.gz HBLGTTNRGOXPGC-HNNXBMFYSA-N 0 1 287.794 3.510 20 0 CHADMN Clc1ccc(CCN2CCC[C@H]2c2ncccn2)cc1 ZINC000639865311 1124580721 /nfs/dbraw/zinc/58/07/21/1124580721.db2.gz HBLGTTNRGOXPGC-HNNXBMFYSA-N 0 1 287.794 3.510 20 0 CHADMN COc1ccc(CN[C@]2(C)CCCc3ccccc32)o1 ZINC001120024084 1131270543 /nfs/dbraw/zinc/27/05/43/1131270543.db2.gz BIVUKDUSUMPXMQ-QGZVFWFLSA-N 0 1 271.360 3.630 20 0 CHADMN Cc1nc2ccc(NC(=O)CCCC(C)C)cc2[nH]1 ZINC000448625927 1124600013 /nfs/dbraw/zinc/60/00/13/1124600013.db2.gz UFDSNMORZDRBOS-UHFFFAOYSA-N 0 1 259.353 3.636 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@]3(C)CCC[C@H]3C)cc2[nH]1 ZINC000448625365 1124600133 /nfs/dbraw/zinc/60/01/33/1124600133.db2.gz NESCMXBQANYJMM-QLJPJBMISA-N 0 1 271.364 3.636 20 0 CHADMN COc1ccc(-c2ccc3cncn3c2)cc1OC(C)C ZINC001238930198 1131272854 /nfs/dbraw/zinc/27/28/54/1131272854.db2.gz NVNWZRRSPOSBRT-UHFFFAOYSA-N 0 1 282.343 3.797 20 0 CHADMN Cc1conc1CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000871630345 1124620589 /nfs/dbraw/zinc/62/05/89/1124620589.db2.gz ZASUSOPSGFWNHC-UHFFFAOYSA-N 0 1 299.399 3.898 20 0 CHADMN CCC[C@H]1CCC[C@@H]1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000448980591 1124628428 /nfs/dbraw/zinc/62/84/28/1124628428.db2.gz BIRBAOYLKNWHDF-WFASDCNBSA-N 0 1 298.390 3.627 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccncc1F ZINC000449028594 1124634102 /nfs/dbraw/zinc/63/41/02/1124634102.db2.gz LWJSZBKAXHPDJI-XJKSGUPXSA-N 0 1 270.351 3.599 20 0 CHADMN C[N@@H+](Cc1ccncc1F)C1CCC(C)(C)CC1 ZINC000449032381 1124635728 /nfs/dbraw/zinc/63/57/28/1124635728.db2.gz YEMZWSDTDGUHPZ-UHFFFAOYSA-N 0 1 250.361 3.621 20 0 CHADMN Cc1cccc(C[N@H+](C)[C@H](CCO)c2ccccc2)c1F ZINC000449035242 1124636134 /nfs/dbraw/zinc/63/61/34/1124636134.db2.gz NEKSNGIRCBFHQY-QGZVFWFLSA-N 0 1 287.378 3.690 20 0 CHADMN Cc1cccc(CN(C)[C@H](CCO)c2ccccc2)c1F ZINC000449035242 1124636138 /nfs/dbraw/zinc/63/61/38/1124636138.db2.gz NEKSNGIRCBFHQY-QGZVFWFLSA-N 0 1 287.378 3.690 20 0 CHADMN C[C@@H]1CN(Cc2ccncc2F)CC[C@H]1c1ccccc1 ZINC000449025386 1124639777 /nfs/dbraw/zinc/63/97/77/1124639777.db2.gz BIPGRHXKLOPHFM-RHSMWYFYSA-N 0 1 284.378 3.846 20 0 CHADMN CCC[C@@H](NCc1ccncc1F)c1ccccc1 ZINC000449058393 1124643230 /nfs/dbraw/zinc/64/32/30/1124643230.db2.gz ITDWVTCWYCLAHW-MRXNPFEDSA-N 0 1 258.340 3.852 20 0 CHADMN CC(C)Oc1ccccc1CNCc1cc2cccnc2o1 ZINC000449086446 1124644358 /nfs/dbraw/zinc/64/43/58/1124644358.db2.gz RTZFNISYGFZIRD-UHFFFAOYSA-N 0 1 296.370 3.905 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cc2cccnc2o1 ZINC000449068328 1124644619 /nfs/dbraw/zinc/64/46/19/1124644619.db2.gz SBJWSBNKNIXZOP-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN CC(=O)Nc1cccc(CNc2ccc3c(n2)CCCC3)c1 ZINC000871865041 1124649154 /nfs/dbraw/zinc/64/91/54/1124649154.db2.gz QZCGCKNHMCEQFJ-UHFFFAOYSA-N 0 1 295.386 3.531 20 0 CHADMN CCN(C/C=C(\C)Cl)[C@H](C)c1cccc(O)c1 ZINC000528397397 1124652574 /nfs/dbraw/zinc/65/25/74/1124652574.db2.gz KPDANUUSUJTUES-JATZPVMKSA-N 0 1 253.773 3.918 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2ccncc2F)c1 ZINC000449128979 1124652704 /nfs/dbraw/zinc/65/27/04/1124652704.db2.gz UBVMCRJZVXPQDE-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN C/C(Cl)=C/CN1CCC[C@H]1c1cccc(C)n1 ZINC000528403126 1124654305 /nfs/dbraw/zinc/65/43/05/1124654305.db2.gz BGTSFBUWHOXQFB-MSKHEQNASA-N 0 1 250.773 3.670 20 0 CHADMN O=C1[C@H]2CCCCC2=NN1c1cccc2ccccc21 ZINC000871946988 1124654481 /nfs/dbraw/zinc/65/44/81/1124654481.db2.gz MKAAEYODMJPPJO-AWEZNQCLSA-N 0 1 264.328 3.733 20 0 CHADMN O=c1c2c([nH]n1-c1cccc3ccccc31)CCCC2 ZINC000871946988 1124654484 /nfs/dbraw/zinc/65/44/84/1124654484.db2.gz MKAAEYODMJPPJO-AWEZNQCLSA-N 0 1 264.328 3.733 20 0 CHADMN C[C@@H]1CCc2[nH]n(-c3cccc4ccccc43)c(=O)c21 ZINC000871946760 1124654575 /nfs/dbraw/zinc/65/45/75/1124654575.db2.gz IBCRXQDWGYRZLM-BZNIZROVSA-N 0 1 264.328 3.589 20 0 CHADMN CC(C)[C@H]1CCc2[nH]n(-c3cccnc3Cl)c(=O)c2C1 ZINC000871952628 1124654772 /nfs/dbraw/zinc/65/47/72/1124654772.db2.gz ITESZPZUVVTPSF-WDEREUQCSA-N 0 1 291.782 3.510 20 0 CHADMN CC(C)CCc1cc(=O)n([C@H]2CCOC3(CCCC3)C2)[nH]1 ZINC000871964337 1124656052 /nfs/dbraw/zinc/65/60/52/1124656052.db2.gz PLYNLCBPMXRXTF-HNNXBMFYSA-N 0 1 292.423 3.503 20 0 CHADMN C[C@H](NCCOC1CCCCC1)c1cccc(O)c1F ZINC000872028025 1124660218 /nfs/dbraw/zinc/66/02/18/1124660218.db2.gz HLPWXQBRICPDGT-LBPRGKRZSA-N 0 1 281.371 3.531 20 0 CHADMN CC[C@@H](NCc1ccnn1C1CCCC1)c1ccncc1 ZINC000449161655 1124661978 /nfs/dbraw/zinc/66/19/78/1124661978.db2.gz GJIRAUFTVSLWSG-QGZVFWFLSA-N 0 1 284.407 3.634 20 0 CHADMN Clc1cccnc1CN1C[C@H]2CCCCCC[C@@H]21 ZINC000528421652 1124661986 /nfs/dbraw/zinc/66/19/86/1124661986.db2.gz ACJAJTSAFOZAFR-DOMZBBRYSA-N 0 1 264.800 3.890 20 0 CHADMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1cccnc1C(F)(F)F ZINC000528434387 1124662638 /nfs/dbraw/zinc/66/26/38/1124662638.db2.gz ZJVCAIAZOFZIDE-JQWIXIFHSA-N 0 1 272.314 3.863 20 0 CHADMN CC[C@@H](NCc1cccc(C)c1F)c1c(C)nn(C)c1C ZINC000449178780 1124664893 /nfs/dbraw/zinc/66/48/93/1124664893.db2.gz YBICWADUNNVRLX-OAHLLOKOSA-N 0 1 289.398 3.725 20 0 CHADMN CC[C@@H](Nc1ccc(CN(C)C)c(F)c1)[C@@H]1CCCOC1 ZINC000872060363 1124669970 /nfs/dbraw/zinc/66/99/70/1124669970.db2.gz PYOGUWYMUOTRMO-RHSMWYFYSA-N 0 1 294.414 3.504 20 0 CHADMN CCN(Cc1ccncc1F)[C@@H](C)Cc1ccsc1 ZINC000449259245 1124677781 /nfs/dbraw/zinc/67/77/81/1124677781.db2.gz QAZPMGXKRMYZQQ-LBPRGKRZSA-N 0 1 278.396 3.735 20 0 CHADMN Clc1cccnc1CN1CCC[C@H](c2ccccn2)C1 ZINC000528510932 1124680497 /nfs/dbraw/zinc/68/04/97/1124680497.db2.gz FULAPYYCCIXVJU-ZDUSSCGKSA-N 0 1 287.794 3.510 20 0 CHADMN CC[C@@H](N[C@H](C)c1nc(Cc2ccccc2)no1)C1CCC1 ZINC000449278684 1124681492 /nfs/dbraw/zinc/68/14/92/1124681492.db2.gz LIBMULDBTWCWMZ-CZUORRHYSA-N 0 1 299.418 3.890 20 0 CHADMN c1c[nH]c([C@H](NCCC[C@@H]2C=CCC2)c2ccccc2)n1 ZINC000872107120 1124685422 /nfs/dbraw/zinc/68/54/22/1124685422.db2.gz KGUZUEOENDYREM-NVXWUHKLSA-N 0 1 281.403 3.835 20 0 CHADMN Cc1cc(CN(Cc2cccnc2)C(C)C)cs1 ZINC000449332849 1124690598 /nfs/dbraw/zinc/69/05/98/1124690598.db2.gz SVYKWGBJRAVLPG-UHFFFAOYSA-N 0 1 260.406 3.862 20 0 CHADMN c1cc2cccc(C[N@H+](Cc3ccccn3)C3CC3)c2o1 ZINC000449332273 1124690906 /nfs/dbraw/zinc/69/09/06/1124690906.db2.gz QOWVUDOKUGCCSG-UHFFFAOYSA-N 0 1 278.355 3.992 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@H]2N[C@@H](C)c1nccnc1C ZINC000872132090 1124691295 /nfs/dbraw/zinc/69/12/95/1124691295.db2.gz BXWKFZGPJZITOY-IVMMDQJWSA-N 0 1 281.403 3.993 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@@H](C)c1nccnc1C ZINC000872132086 1124691482 /nfs/dbraw/zinc/69/14/82/1124691482.db2.gz BXWKFZGPJZITOY-INWMFGNUSA-N 0 1 281.403 3.993 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1cc(F)cc(OC)c1 ZINC000449333504 1124692053 /nfs/dbraw/zinc/69/20/53/1124692053.db2.gz VODHXRZVGWCBHF-QGZVFWFLSA-N 0 1 288.366 3.812 20 0 CHADMN CCC[C@@H](N[C@H](C)c1nccnc1C)c1ccc(OC)cc1 ZINC000872135967 1124694082 /nfs/dbraw/zinc/69/40/82/1124694082.db2.gz ZBUGIFQZHDHPLR-RHSMWYFYSA-N 0 1 299.418 3.986 20 0 CHADMN C[C@@H]1CN(Cc2cc3cccnc3o2)Cc2ccccc2O1 ZINC000449341115 1124694343 /nfs/dbraw/zinc/69/43/43/1124694343.db2.gz RTUGUTQTCMCIAI-CYBMUJFWSA-N 0 1 294.354 3.611 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@H](OC2CCC2)CC1 ZINC000872260008 1124699149 /nfs/dbraw/zinc/69/91/49/1124699149.db2.gz GIYDRRBLRRBZNO-AWEZNQCLSA-N 0 1 295.373 3.888 20 0 CHADMN Fc1ccc(CN2CCC[C@H](OC3CCC3)CC2)c(F)c1 ZINC000872260186 1124699737 /nfs/dbraw/zinc/69/97/37/1124699737.db2.gz KWNKGXVUJMYJMK-INIZCTEOSA-N 0 1 295.373 3.888 20 0 CHADMN Clc1cc(CN2CCC[C@@H](OC3CCC3)CC2)ccn1 ZINC000872278238 1124701201 /nfs/dbraw/zinc/70/12/01/1124701201.db2.gz KMCZEINOSCHVGK-OAHLLOKOSA-N 0 1 294.826 3.659 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2ccc(F)c(C)c2)n1 ZINC000449372710 1124702666 /nfs/dbraw/zinc/70/26/66/1124702666.db2.gz LCSIKCKNDHCVJW-CYBMUJFWSA-N 0 1 288.366 3.779 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnn(CC(C)C)c2)ccc1F ZINC000449372327 1124704608 /nfs/dbraw/zinc/70/46/08/1124704608.db2.gz GJEZWTORTGUQHY-CQSZACIVSA-N 0 1 289.398 3.837 20 0 CHADMN Cn1ccnc1[C@H]1N(CC2CCCCCC2)CC1(C)C ZINC000449416706 1124722869 /nfs/dbraw/zinc/72/28/69/1124722869.db2.gz VHOLMELTEBUFPD-OAHLLOKOSA-N 0 1 275.440 3.773 20 0 CHADMN CCCCOc1ccccc1CNCc1ccnc(C)c1 ZINC000449405474 1124727573 /nfs/dbraw/zinc/72/75/73/1124727573.db2.gz YWJUQKKIUJQNKD-UHFFFAOYSA-N 0 1 284.403 3.859 20 0 CHADMN Cc1csc([C@@H]2CCN(c3ccnc(C)c3Cl)C2)n1 ZINC000872737621 1124727829 /nfs/dbraw/zinc/72/78/29/1124727829.db2.gz VLXKGIPQZDVWGT-LLVKDONJSA-N 0 1 293.823 3.802 20 0 CHADMN FC(F)Oc1ccc(C[N@H+]2CC[C@H]2C2CC2)cc1Cl ZINC000449429831 1124734984 /nfs/dbraw/zinc/73/49/84/1124734984.db2.gz VQJMBIGGTULHAX-LBPRGKRZSA-N 0 1 287.737 3.926 20 0 CHADMN FC(F)Oc1ccc(CN2CC[C@H]2C2CC2)cc1Cl ZINC000449429831 1124734988 /nfs/dbraw/zinc/73/49/88/1124734988.db2.gz VQJMBIGGTULHAX-LBPRGKRZSA-N 0 1 287.737 3.926 20 0 CHADMN CCCCOc1ncc(-c2cccc3cncn32)cc1C ZINC001238965214 1131280284 /nfs/dbraw/zinc/28/02/84/1131280284.db2.gz OEKJPNXYTBWSOM-UHFFFAOYSA-N 0 1 281.359 3.884 20 0 CHADMN C[C@H]1CC[C@@H](NCc2noc3c2CC(C)(C)CC3)CS1 ZINC000873173953 1124745349 /nfs/dbraw/zinc/74/53/49/1124745349.db2.gz FNSOKQVPFBFXCV-NWDGAFQWSA-N 0 1 294.464 3.563 20 0 CHADMN COc1ncc(CNCc2cc(C)cc(C)c2)cc1Cl ZINC000449459793 1124746739 /nfs/dbraw/zinc/74/67/39/1124746739.db2.gz LPEPVUQHKNSILH-UHFFFAOYSA-N 0 1 290.794 3.650 20 0 CHADMN Cc1ccc(CN[C@H](C)c2nccnc2C)cc1Cl ZINC000873186772 1124747051 /nfs/dbraw/zinc/74/70/51/1124747051.db2.gz FJGZEGKCGCTEJD-GFCCVEGCSA-N 0 1 275.783 3.598 20 0 CHADMN COc1ccccc1CN1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000449460515 1124747311 /nfs/dbraw/zinc/74/73/11/1124747311.db2.gz NNTUINDPLYIGNF-DGCLKSJQSA-N 0 1 287.325 3.858 20 0 CHADMN CN(Cc1nccs1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170945294 1131281378 /nfs/dbraw/zinc/28/13/78/1131281378.db2.gz VJRHXOACRCESEG-LBPRGKRZSA-N 0 1 292.835 3.786 20 0 CHADMN C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1cccc(F)c1 ZINC000449463593 1124757735 /nfs/dbraw/zinc/75/77/35/1124757735.db2.gz WJUHWFBNTXLCQR-ZYHUDNBSSA-N 0 1 275.289 3.989 20 0 CHADMN CCO[C@H]1CCN(Cc2c(F)cccc2Cl)C[C@H]1C ZINC000449493571 1124760808 /nfs/dbraw/zinc/76/08/08/1124760808.db2.gz LSHACSJESRMHCU-ABAIWWIYSA-N 0 1 285.790 3.726 20 0 CHADMN CC[C@H](NCc1cc(N)cc(F)c1)c1cc(F)ccc1F ZINC000873288179 1124761930 /nfs/dbraw/zinc/76/19/30/1124761930.db2.gz XCTMKXCLXVNMNR-INIZCTEOSA-N 0 1 294.320 3.927 20 0 CHADMN CO[C@H]1CCN(Cc2c(Cl)cccc2Cl)C[C@H]1C ZINC000449492399 1124761944 /nfs/dbraw/zinc/76/19/44/1124761944.db2.gz BXLGEJPLSPINMV-YGRLFVJLSA-N 0 1 288.218 3.850 20 0 CHADMN Cc1ccc([C@H](NCc2cc(N)cc(F)c2)C2CCC2)o1 ZINC000873288393 1124762211 /nfs/dbraw/zinc/76/22/11/1124762211.db2.gz DORFCWHWBINVJM-QGZVFWFLSA-N 0 1 288.366 3.940 20 0 CHADMN CC[C@H](NCc1cc(N)cc(F)c1)c1ccccc1F ZINC000873289407 1124762594 /nfs/dbraw/zinc/76/25/94/1124762594.db2.gz UJSALDGLTZOHIE-INIZCTEOSA-N 0 1 276.330 3.788 20 0 CHADMN CCO[C@@H]1CCN(Cc2cc3c(cccc3F)[nH]2)C[C@@H]1C ZINC000449498830 1124774213 /nfs/dbraw/zinc/77/42/13/1124774213.db2.gz LTFBQHRNQNQNQE-YVEFUNNKSA-N 0 1 290.382 3.554 20 0 CHADMN CC(C)[C@@H]1CN([C@H]2CCc3cccc(Cl)c3C2)CCO1 ZINC001170946111 1131282816 /nfs/dbraw/zinc/28/28/16/1131282816.db2.gz ZMSGPTAZTJGRDT-YOEHRIQHSA-N 0 1 293.838 3.554 20 0 CHADMN CC=C(C=CC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1)CC ZINC000820465596 1131289769 /nfs/dbraw/zinc/28/97/69/1131289769.db2.gz NPQCJGPJXROHJS-ZLRCPBPQSA-N 0 1 297.358 3.633 20 0 CHADMN Cc1cnc(CN(C)C[C@H](C)C2CCCCC2)o1 ZINC000528774540 1124800678 /nfs/dbraw/zinc/80/06/78/1124800678.db2.gz RQVXRKYOMWKIRL-LBPRGKRZSA-N 0 1 250.386 3.631 20 0 CHADMN CC[C@@H](NCc1cc(OC)no1)c1cc(C)ccc1C ZINC000528800606 1124809614 /nfs/dbraw/zinc/80/96/14/1124809614.db2.gz SKJOXTRKCPSYKL-OAHLLOKOSA-N 0 1 274.364 3.541 20 0 CHADMN CCc1ncc(CNCc2ccc(C(C)(C)C)s2)o1 ZINC000449608601 1124814558 /nfs/dbraw/zinc/81/45/58/1124814558.db2.gz ITQKACYDJBCQQD-UHFFFAOYSA-N 0 1 278.421 3.886 20 0 CHADMN CC[C@@H](O)[C@H](CC)NCc1csc(-c2ccsc2)n1 ZINC000449640933 1124827087 /nfs/dbraw/zinc/82/70/87/1124827087.db2.gz TWNPUHQQKSDBQE-QWHCGFSZSA-N 0 1 296.461 3.511 20 0 CHADMN CCc1c(NC(=O)CC(C)=C(C)C)[nH]nc1-c1ccncc1 ZINC000874334378 1124828228 /nfs/dbraw/zinc/82/82/28/1124828228.db2.gz BDSPEPBBLVSKFI-UHFFFAOYSA-N 0 1 298.390 3.719 20 0 CHADMN CO[C@H]([C@H](C)NCc1csc(Cl)c1Cl)C1CC1 ZINC000449634638 1124832506 /nfs/dbraw/zinc/83/25/06/1124832506.db2.gz WJYPZHYANNJNGA-WRWORJQWSA-N 0 1 294.247 3.958 20 0 CHADMN Fc1ccc(CN2CCC[C@]3(CCSC3)C2)c(F)c1 ZINC000449737189 1124855248 /nfs/dbraw/zinc/85/52/48/1124855248.db2.gz YJMMVGBKMICJFP-HNNXBMFYSA-N 0 1 283.387 3.684 20 0 CHADMN COC[C@H]1CCCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC000449776598 1124867340 /nfs/dbraw/zinc/86/73/40/1124867340.db2.gz ONUFCORVOKISTJ-LBPRGKRZSA-N 0 1 285.790 3.728 20 0 CHADMN COC[C@H]1CCCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC000449778367 1124868277 /nfs/dbraw/zinc/86/82/77/1124868277.db2.gz RYSWTQSMMIAPAD-LBPRGKRZSA-N 0 1 285.790 3.728 20 0 CHADMN COC[C@H]1CCCN(Cc2ccsc2Cl)CC1 ZINC000449779381 1124870381 /nfs/dbraw/zinc/87/03/81/1124870381.db2.gz TXGWUSQCHWVTKU-NSHDSACASA-N 0 1 273.829 3.650 20 0 CHADMN C[C@@H](NCCNC(=O)OC(C)(C)C)c1ccccc1Cl ZINC000125465107 1124895124 /nfs/dbraw/zinc/89/51/24/1124895124.db2.gz GAQOOKAMOGRPFM-LLVKDONJSA-N 0 1 298.814 3.515 20 0 CHADMN CCC[C@H]1CCC[C@H]1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000450011544 1124914157 /nfs/dbraw/zinc/91/41/57/1124914157.db2.gz WAVBZAQHARQDIU-UONOGXRCSA-N 0 1 299.418 3.704 20 0 CHADMN CC[C@H](C)CN(CC)Cc1csc(C2CC2)n1 ZINC000120489844 1124939995 /nfs/dbraw/zinc/93/99/95/1124939995.db2.gz KFGGCBUWGZHTFO-NSHDSACASA-N 0 1 252.427 3.889 20 0 CHADMN c1csc(CN(Cc2ccsc2)C[C@@H]2CCCO2)c1 ZINC000120553990 1124949894 /nfs/dbraw/zinc/94/98/94/1124949894.db2.gz DQFBBIRBDRWUIH-AWEZNQCLSA-N 0 1 293.457 3.991 20 0 CHADMN CC(=O)c1ccc(CN(C)CCOc2ccc(C)cc2)cc1 ZINC000450230754 1124953964 /nfs/dbraw/zinc/95/39/64/1124953964.db2.gz HNKQACSHGIDHOI-UHFFFAOYSA-N 0 1 297.398 3.708 20 0 CHADMN C(c1nnc(C2CC2)s1)N1CCC[C@@H]1C1CCCCC1 ZINC000450271905 1124960716 /nfs/dbraw/zinc/96/07/16/1124960716.db2.gz UFOIDXPDRQYGBT-CQSZACIVSA-N 0 1 291.464 3.960 20 0 CHADMN COc1ccc(OC)c([C@@H]2CCCN2Cc2ccco2)c1 ZINC000120631808 1124962774 /nfs/dbraw/zinc/96/27/74/1124962774.db2.gz LHIMTZXZLOOIKO-INIZCTEOSA-N 0 1 287.359 3.634 20 0 CHADMN C[C@@H](NC1CC(F)(F)C1)c1sccc1Br ZINC000389883611 1124972635 /nfs/dbraw/zinc/97/26/35/1124972635.db2.gz PXGYWGTZWAWGAA-ZCFIWIBFSA-N 0 1 296.180 3.959 20 0 CHADMN CC(C)C[C@@H]1CCCN1Cc1nnc(C(C)C)s1 ZINC000450327593 1124981692 /nfs/dbraw/zinc/98/16/92/1124981692.db2.gz MDGDHKMZOXPBCQ-LBPRGKRZSA-N 0 1 267.442 3.672 20 0 CHADMN Cc1ccccc1[C@H]1CCN(Cc2nnc(C3CC3)s2)C1 ZINC000450333373 1124982576 /nfs/dbraw/zinc/98/25/76/1124982576.db2.gz QDLVLGHQZSQJNZ-AWEZNQCLSA-N 0 1 299.443 3.713 20 0 CHADMN Cc1occc1CN(C)Cc1ccc2cc[nH]c2c1 ZINC000529527012 1124986065 /nfs/dbraw/zinc/98/60/65/1124986065.db2.gz PSGFIGYRCBFGGR-UHFFFAOYSA-N 0 1 254.333 3.701 20 0 CHADMN Clc1csc(CNCCC2=CCCCC2)n1 ZINC000876905291 1124988107 /nfs/dbraw/zinc/98/81/07/1124988107.db2.gz RYWVJQMLLQBNAL-UHFFFAOYSA-N 0 1 256.802 3.777 20 0 CHADMN CCCCCN(Cc1cnns1)[C@H](C)CCC ZINC000450336827 1124992855 /nfs/dbraw/zinc/99/28/55/1124992855.db2.gz BOXYPIZCSYQANW-GFCCVEGCSA-N 0 1 255.431 3.719 20 0 CHADMN Cc1ccc(OCCCNCc2nc(Cl)cs2)cc1 ZINC000876994176 1124994469 /nfs/dbraw/zinc/99/44/69/1124994469.db2.gz BYSZYIKTRGGSCP-UHFFFAOYSA-N 0 1 296.823 3.664 20 0 CHADMN Cc1cccc([C@@H](C)NCc2ccc(Cl)nn2)c1C ZINC000877032207 1124999638 /nfs/dbraw/zinc/99/96/38/1124999638.db2.gz HJZRJMVLDLEQGB-GFCCVEGCSA-N 0 1 275.783 3.598 20 0 CHADMN CC[C@](C)(NCc1cnc(OC)s1)c1ccccc1 ZINC000877046929 1125001850 /nfs/dbraw/zinc/00/18/50/1125001850.db2.gz UXUAQCHUAUBNEO-HNNXBMFYSA-N 0 1 276.405 3.567 20 0 CHADMN Cc1nc2cc(Nc3cc(N)ccc3Cl)ccc2[nH]1 ZINC001159876838 1131324674 /nfs/dbraw/zinc/32/46/74/1131324674.db2.gz WCSCQERJMIQTGZ-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN C[C@H]1CCc2ccccc2[C@H]1NCc1ccc(Cl)nn1 ZINC000877128340 1125013926 /nfs/dbraw/zinc/01/39/26/1125013926.db2.gz GHBAQHRQPZWUCA-ZBEGNZNMSA-N 0 1 287.794 3.543 20 0 CHADMN COCCC1CCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC000529638775 1125024951 /nfs/dbraw/zinc/02/49/51/1125024951.db2.gz XORLVCHKCGNLTR-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN Clc1nccc2oc(CN3CCCC4(CC4)C3)cc21 ZINC000877406728 1125027626 /nfs/dbraw/zinc/02/76/26/1125027626.db2.gz WLRAOWRJNGENIB-UHFFFAOYSA-N 0 1 276.767 3.857 20 0 CHADMN COc1cccc(C)c1CNCc1ccc(C(C)(C)O)cc1 ZINC000877412429 1125027761 /nfs/dbraw/zinc/02/77/61/1125027761.db2.gz XLBAQDOVBCTGKG-UHFFFAOYSA-N 0 1 299.414 3.521 20 0 CHADMN Cc1ccc(-c2nc(CN(C)[C@H]3CCSC3)co2)cc1 ZINC000121065422 1125033817 /nfs/dbraw/zinc/03/38/17/1125033817.db2.gz UOFOHZIHPQWJCE-HNNXBMFYSA-N 0 1 288.416 3.587 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1nnc(C2CC2)s1 ZINC000450479296 1125041132 /nfs/dbraw/zinc/04/11/32/1125041132.db2.gz MYPNVLQUFCZLEC-IUODEOHRSA-N 0 1 299.443 3.794 20 0 CHADMN Clc1ccc(CN2CCC[C@H](c3ccccc3)C2)nn1 ZINC000877548014 1125042945 /nfs/dbraw/zinc/04/29/45/1125042945.db2.gz CORALDSYPXMJRM-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1ccc(F)c(CCNCc2nc(Cl)cs2)c1 ZINC000877569468 1125046258 /nfs/dbraw/zinc/04/62/58/1125046258.db2.gz RECHHKOSJGGHFD-UHFFFAOYSA-N 0 1 284.787 3.576 20 0 CHADMN Cc1cccc2c1CCC[C@H]2NCc1ccc(Cl)nn1 ZINC000877641032 1125058587 /nfs/dbraw/zinc/05/85/87/1125058587.db2.gz UUOZCZHZFRCBGK-OAHLLOKOSA-N 0 1 287.794 3.606 20 0 CHADMN COC[C@]1(C)CCN(c2cc(C)nc3ccc(F)cc32)C1 ZINC000450607329 1125069847 /nfs/dbraw/zinc/06/98/47/1125069847.db2.gz XDVSAUYWQBIMFR-QGZVFWFLSA-N 0 1 288.366 3.545 20 0 CHADMN CC(C)(C)c1csc(CN2CC[C@@H]3CSC[C@H]3C2)n1 ZINC000877736278 1125070079 /nfs/dbraw/zinc/07/00/79/1125070079.db2.gz SOBYFOTWUJLTSI-VXGBXAGGSA-N 0 1 296.505 3.626 20 0 CHADMN O[C@H]1C[C@H](c2ccc(F)c(F)c2)N(CC2=CCCCC2)C1 ZINC000450627397 1125070525 /nfs/dbraw/zinc/07/05/25/1125070525.db2.gz YCSRBZYVSCVICU-WMLDXEAASA-N 0 1 293.357 3.573 20 0 CHADMN Cc1c(F)nccc1CN[C@H](C)c1cc2cnccc2o1 ZINC000877767971 1125076934 /nfs/dbraw/zinc/07/69/34/1125076934.db2.gz FTWUMUCWNKFGNA-LLVKDONJSA-N 0 1 285.322 3.521 20 0 CHADMN CCN(CC)CC(=O)Nc1ccc(Cl)cc1C(C)C ZINC000529851271 1125082109 /nfs/dbraw/zinc/08/21/09/1125082109.db2.gz ICSLQGGYZFHXQD-UHFFFAOYSA-N 0 1 282.815 3.744 20 0 CHADMN Cc1csc([C@@H]2CCN(Cc3c(F)cccc3F)C2)n1 ZINC000877813916 1125086544 /nfs/dbraw/zinc/08/65/44/1125086544.db2.gz QFTDBMWTXBBJEL-LLVKDONJSA-N 0 1 294.370 3.719 20 0 CHADMN CCCC[C@@H](N[C@H](C)c1csnn1)C1CCC1 ZINC000450729907 1125095585 /nfs/dbraw/zinc/09/55/85/1125095585.db2.gz USFSXXSGVHBZKT-ZYHUDNBSSA-N 0 1 253.415 3.548 20 0 CHADMN C[C@@H]([C@H](C)N[C@@H](C)c1csnn1)C1CCCCC1 ZINC000450730289 1125095941 /nfs/dbraw/zinc/09/59/41/1125095941.db2.gz VZOLNRKRIJLASG-SRVKXCTJSA-N 0 1 267.442 3.794 20 0 CHADMN C[C@H](NCC1CC(F)(F)C1)c1nc(C2CCCCC2)no1 ZINC000450735171 1125096100 /nfs/dbraw/zinc/09/61/00/1125096100.db2.gz FGYRKGBPZULLQI-JTQLQIEISA-N 0 1 299.365 3.813 20 0 CHADMN C[C@@H](NCC1CC(F)(F)C1)c1nc(C2CCCCC2)no1 ZINC000450735172 1125096133 /nfs/dbraw/zinc/09/61/33/1125096133.db2.gz FGYRKGBPZULLQI-SNVBAGLBSA-N 0 1 299.365 3.813 20 0 CHADMN C[C@@H](NCCc1cscn1)c1nc(C(C)(C)C)cs1 ZINC000450726492 1125098503 /nfs/dbraw/zinc/09/85/03/1125098503.db2.gz GJZCIJWLBPWUKK-SNVBAGLBSA-N 0 1 295.477 3.790 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1cccc2ccccc21 ZINC001239471029 1131331847 /nfs/dbraw/zinc/33/18/47/1131331847.db2.gz DOQKZFWNJNAEON-UHFFFAOYSA-N 0 1 263.275 3.917 20 0 CHADMN CN(Cc1ccco1)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000877905851 1125100169 /nfs/dbraw/zinc/10/01/69/1125100169.db2.gz CLWBUETVBQHDGE-IAGOWNOFSA-N 0 1 271.360 3.632 20 0 CHADMN C=C/C=C\CCN(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000877995716 1125109954 /nfs/dbraw/zinc/10/99/54/1125109954.db2.gz JRCKPNHKDDYZKH-FPLPWBNLSA-N 0 1 286.419 3.614 20 0 CHADMN C(c1nc2c(o1)CCCC2)[N@H+]1CCC[C@H]1C1CCCC1 ZINC000877986285 1125110217 /nfs/dbraw/zinc/11/02/17/1125110217.db2.gz MVWYXGNFXPFEOX-HNNXBMFYSA-N 0 1 274.408 3.708 20 0 CHADMN C[C@H](CN(C)C(=O)c1cc(C2CC2)[nH]n1)C1CCCCC1 ZINC000530040858 1125114971 /nfs/dbraw/zinc/11/49/71/1125114971.db2.gz QQCBDMDWCHRXAJ-GFCCVEGCSA-N 0 1 289.423 3.576 20 0 CHADMN c1ccc([C@H]2CC[C@H](CN3Cc4ccccc4C3)O2)cc1 ZINC000878079313 1125117059 /nfs/dbraw/zinc/11/70/59/1125117059.db2.gz UOLMDFDJAINALU-RTBURBONSA-N 0 1 279.383 3.923 20 0 CHADMN FC(F)(F)c1coc(CN2CC[C@@H](c3ccco3)C2)c1 ZINC000878094097 1125118922 /nfs/dbraw/zinc/11/89/22/1125118922.db2.gz PTBGEVZQJCSWGK-SNVBAGLBSA-N 0 1 285.265 3.881 20 0 CHADMN Cc1conc1CN1CCC[C@@](C)(c2ccccc2)C1 ZINC000878104851 1125119749 /nfs/dbraw/zinc/11/97/49/1125119749.db2.gz QUXDZVIDXXVIRF-QGZVFWFLSA-N 0 1 270.376 3.537 20 0 CHADMN C1=CC[C@]2(CC1)CCCN(Cc1nc3c(o1)CCCC3)C2 ZINC000878106764 1125119835 /nfs/dbraw/zinc/11/98/35/1125119835.db2.gz QSJWIOWGQPQXBF-SFHVURJKSA-N 0 1 286.419 3.876 20 0 CHADMN Cc1conc1CN1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000878117227 1125120121 /nfs/dbraw/zinc/12/01/21/1125120121.db2.gz MEOYERBCJBIMDB-GXTWGEPZSA-N 0 1 274.339 3.500 20 0 CHADMN Cc1conc1CN(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000878116988 1125120947 /nfs/dbraw/zinc/12/09/47/1125120947.db2.gz LGQHJIFOLSJNBA-GFCCVEGCSA-N 0 1 278.783 3.699 20 0 CHADMN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC000878152199 1125123932 /nfs/dbraw/zinc/12/39/32/1125123932.db2.gz WBLYABAWFSKMGJ-STQMWFEESA-N 0 1 294.464 3.659 20 0 CHADMN CCS[C@H]1CC[C@H](N(C)Cc2nc3c(o2)CCCC3)C1 ZINC000878152199 1125123935 /nfs/dbraw/zinc/12/39/35/1125123935.db2.gz WBLYABAWFSKMGJ-STQMWFEESA-N 0 1 294.464 3.659 20 0 CHADMN CO[C@@H](Cn1c(C)nc2c1CCCC2)c1ccc(F)cc1 ZINC000530110238 1125124723 /nfs/dbraw/zinc/12/47/23/1125124723.db2.gz XFIZCQCKZRTNMB-KRWDZBQOSA-N 0 1 288.366 3.597 20 0 CHADMN Fc1cccc([C@@H]2CCN2C[C@@H]2C[C@H]3CCC[C@@H]3O2)c1 ZINC000878166403 1125126753 /nfs/dbraw/zinc/12/67/53/1125126753.db2.gz UEQYZXQAQLWEJW-IWCQGFGOSA-N 0 1 275.367 3.530 20 0 CHADMN CCN(Cc1ccccn1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878185590 1125128716 /nfs/dbraw/zinc/12/87/16/1125128716.db2.gz ASEKKMKNMBDWAN-RBUKOAKNSA-N 0 1 296.414 3.824 20 0 CHADMN CCN(Cc1ccccn1)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878185591 1125129458 /nfs/dbraw/zinc/12/94/58/1125129458.db2.gz ASEKKMKNMBDWAN-RTBURBONSA-N 0 1 296.414 3.824 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000530176554 1125129966 /nfs/dbraw/zinc/12/99/66/1125129966.db2.gz UKJPXEKRSXVTPV-GNXNZQSNSA-N 0 1 297.345 3.698 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1ccc(Cl)cc1F ZINC000530179023 1125130166 /nfs/dbraw/zinc/13/01/66/1125130166.db2.gz KQVGKKWNVUQUMD-PEGIJTEDSA-N 0 1 299.773 3.553 20 0 CHADMN CCCc1ccccc1NC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000878205024 1125130693 /nfs/dbraw/zinc/13/06/93/1125130693.db2.gz DLQPWIHAXKIAFN-PXAZEXFGSA-N 0 1 297.402 3.667 20 0 CHADMN COc1ccc2nc(S[C@@H]3CCCCCC3=O)[nH]c2c1 ZINC000029279910 1125137188 /nfs/dbraw/zinc/13/71/88/1125137188.db2.gz SSTWAAULBDRRHQ-CQSZACIVSA-N 0 1 290.388 3.565 20 0 CHADMN CC1(C)CCC[C@@H](CN2CC=C(C(F)(F)F)CC2)O1 ZINC000878303338 1125138893 /nfs/dbraw/zinc/13/88/93/1125138893.db2.gz NZSTZKIBNPSNKY-LBPRGKRZSA-N 0 1 277.330 3.529 20 0 CHADMN C[C@@H](NCc1nc2c(o1)CCCC2)C1CCCCC1 ZINC000878348045 1125143699 /nfs/dbraw/zinc/14/36/99/1125143699.db2.gz CFRAIAPTDZRERZ-GFCCVEGCSA-N 0 1 262.397 3.612 20 0 CHADMN Cc1ccc(CNC2(c3ccccc3)CC2)nc1Cl ZINC000878359822 1125145099 /nfs/dbraw/zinc/14/50/99/1125145099.db2.gz UCZWIWRHBRUZOZ-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN C[C@@H](c1ccco1)N(C)C[C@H]1CCC2(CCCC2)O1 ZINC000530419172 1125151259 /nfs/dbraw/zinc/15/12/59/1125151259.db2.gz JNEOINHLSMJOIR-UONOGXRCSA-N 0 1 263.381 3.764 20 0 CHADMN Cc1csc(C2(NC[C@@H]3CCCC(C)(C)O3)CCC2)n1 ZINC000878417260 1125152031 /nfs/dbraw/zinc/15/20/31/1125152031.db2.gz HLRHVOLKXVKREB-ZDUSSCGKSA-N 0 1 294.464 3.768 20 0 CHADMN C(c1nc2c(o1)CCCC2)N1CCCC2(CCCC2)C1 ZINC000878480379 1125156579 /nfs/dbraw/zinc/15/65/79/1125156579.db2.gz BNAMBOIBOXXBNS-UHFFFAOYSA-N 0 1 274.408 3.710 20 0 CHADMN Cc1ccc(CN(C)CCOc2ccc(Cl)cc2)cn1 ZINC000121826217 1125157107 /nfs/dbraw/zinc/15/71/07/1125157107.db2.gz JKPLUVABITZWCB-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN Cc1ccc(OC2CCN(Cc3ccc(C)cn3)CC2)cc1 ZINC000121851948 1125158304 /nfs/dbraw/zinc/15/83/04/1125158304.db2.gz DYXWHEZSFCCKBU-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN CC(C)c1cccc2c1OCCC[C@@H]2NCc1ccnn1C ZINC000121889111 1125159014 /nfs/dbraw/zinc/15/90/14/1125159014.db2.gz JUXGKMFDDVMDRF-KRWDZBQOSA-N 0 1 299.418 3.547 20 0 CHADMN Cc1ccncc1CN(C)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878540287 1125159645 /nfs/dbraw/zinc/15/96/45/1125159645.db2.gz LMXXVAMFILJRFJ-MOPGFXCFSA-N 0 1 296.414 3.742 20 0 CHADMN CC(C)(C)SCCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000878602476 1125164435 /nfs/dbraw/zinc/16/44/35/1125164435.db2.gz VFYPXCYZWUFZGL-AWEZNQCLSA-N 0 1 281.469 3.859 20 0 CHADMN CCCC[C@H](C)N(C)Cc1csc(-c2ccn(C)n2)n1 ZINC000878634235 1125167878 /nfs/dbraw/zinc/16/78/78/1125167878.db2.gz ZOJMCNVDEBEUBG-LBPRGKRZSA-N 0 1 292.452 3.554 20 0 CHADMN Cn1cccc1[C@@H]1CCCCN1Cc1ccccc1F ZINC000530627462 1125168273 /nfs/dbraw/zinc/16/82/73/1125168273.db2.gz YUNMYCJDYDLJOG-KRWDZBQOSA-N 0 1 272.367 3.891 20 0 CHADMN CC(C)(C)c1coc(CNCCc2ccccc2Cl)n1 ZINC001648973826 1125177717 /nfs/dbraw/zinc/17/77/17/1125177717.db2.gz POPJTSAKPFRPTR-UHFFFAOYSA-N 0 1 292.810 3.958 20 0 CHADMN Fc1ccc([C@@H]2CCN2C[C@@H]2C[C@@H]3CCC[C@H]3O2)cc1 ZINC000878921942 1125185827 /nfs/dbraw/zinc/18/58/27/1125185827.db2.gz YYZMXHZNKIYJQG-QSPRXWTASA-N 0 1 275.367 3.530 20 0 CHADMN Fc1ccc([C@@H]2CCN2C[C@@H]2CC3(CCC3)CO2)cc1 ZINC000878921251 1125186652 /nfs/dbraw/zinc/18/66/52/1125186652.db2.gz OGBMQFXOPRBZFQ-HOTGVXAUSA-N 0 1 275.367 3.532 20 0 CHADMN CCN(Cc1ccnn1CC)[C@H](C)c1ccc(F)cc1 ZINC000122428199 1125191568 /nfs/dbraw/zinc/19/15/68/1125191568.db2.gz IWPDIADETYCEHK-CYBMUJFWSA-N 0 1 275.371 3.625 20 0 CHADMN CO[C@@H]1CC[C@@H](N2CCc3ccc(C(F)(F)F)cc3C2)C1 ZINC000879103751 1125197924 /nfs/dbraw/zinc/19/79/24/1125197924.db2.gz DFYWTSPBHTVADL-HUUCEWRRSA-N 0 1 299.336 3.631 20 0 CHADMN Cc1cccc2c(CN3CCc4ccccc4[C@@H]3C)[nH]nc21 ZINC001137141899 1125204517 /nfs/dbraw/zinc/20/45/17/1125204517.db2.gz NFPAGFWNZBSOIB-AWEZNQCLSA-N 0 1 291.398 3.991 20 0 CHADMN Fc1cccc(F)c1CN(CC1CC1)C1CCC1 ZINC000475678051 1125208916 /nfs/dbraw/zinc/20/89/16/1125208916.db2.gz HPDFDRRMQULVTE-UHFFFAOYSA-N 0 1 251.320 3.729 20 0 CHADMN O=C1CCC(CN2CCC[C@@](F)(c3ccccc3)C2)CC1 ZINC000879477448 1125215045 /nfs/dbraw/zinc/21/50/45/1125215045.db2.gz HFHBHCKLMGNTKI-SFHVURJKSA-N 0 1 289.394 3.707 20 0 CHADMN Cn1ccnc1CN1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000531487648 1125223174 /nfs/dbraw/zinc/22/31/74/1125223174.db2.gz UBKDQCHXAIPUMN-JYBLJSLWSA-N 0 1 295.430 3.878 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000123107863 1125224371 /nfs/dbraw/zinc/22/43/71/1125224371.db2.gz KDUQLDJNDICKSY-GHMZBOCLSA-N 0 1 291.782 3.763 20 0 CHADMN Cc1cccc2c(CN3CCC[C@H]3c3ccncc3)[nH]nc21 ZINC001137146300 1125230069 /nfs/dbraw/zinc/23/00/69/1125230069.db2.gz GHFUVFSFKYLBFU-KRWDZBQOSA-N 0 1 292.386 3.603 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@H]1CC12CCCCC2 ZINC000532183985 1125237351 /nfs/dbraw/zinc/23/73/51/1125237351.db2.gz NKTDOWNVPAOGGT-SNVBAGLBSA-N 0 1 279.767 3.955 20 0 CHADMN Cc1ncccc1CNCc1ccccc1OC(F)(F)F ZINC000237606853 1125237817 /nfs/dbraw/zinc/23/78/17/1125237817.db2.gz NVFYPIWSADCFQD-UHFFFAOYSA-N 0 1 296.292 3.578 20 0 CHADMN CC(C)(CC(=O)Nc1ccc2nc[nH]c2c1)CC(F)F ZINC000879907508 1125239233 /nfs/dbraw/zinc/23/92/33/1125239233.db2.gz YBLDJUSFFBWLEJ-UHFFFAOYSA-N 0 1 281.306 3.573 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncs1)c1cccc(F)c1 ZINC000128080395 1125239632 /nfs/dbraw/zinc/23/96/32/1125239632.db2.gz LLRHPRHBNZOTIA-ZJUUUORDSA-N 0 1 250.342 3.694 20 0 CHADMN Cc1ncccc1CN[C@@H]1CCSc2ccc(F)cc21 ZINC000237615585 1125245036 /nfs/dbraw/zinc/24/50/36/1125245036.db2.gz KZRPQJTZUGKRIM-OAHLLOKOSA-N 0 1 288.391 3.856 20 0 CHADMN CC[C@@]1(C)CCN(Cc2nc(-c3ccc(C)cc3)no2)C1 ZINC000532344130 1125249270 /nfs/dbraw/zinc/24/92/70/1125249270.db2.gz HZABFNKWLJBNPX-KRWDZBQOSA-N 0 1 285.391 3.667 20 0 CHADMN C[C@@H]1CCN([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000508619903 1125255394 /nfs/dbraw/zinc/25/53/94/1125255394.db2.gz HPKUTKPNVBYZEW-CRAIPNDOSA-N 0 1 294.398 3.708 20 0 CHADMN C[C@H]1CCN([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000508619904 1125255439 /nfs/dbraw/zinc/25/54/39/1125255439.db2.gz HPKUTKPNVBYZEW-MAUKXSAKSA-N 0 1 294.398 3.708 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H](CF)C1 ZINC000880237203 1125258985 /nfs/dbraw/zinc/25/89/85/1125258985.db2.gz SUGNHQIVPRTCLC-RYUDHWBXSA-N 0 1 262.328 3.570 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)N1CCC[C@@H](CF)C1 ZINC000880237203 1125258987 /nfs/dbraw/zinc/25/89/87/1125258987.db2.gz SUGNHQIVPRTCLC-RYUDHWBXSA-N 0 1 262.328 3.570 20 0 CHADMN [O-]c1ccc(F)c(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c1F ZINC000508624066 1125260640 /nfs/dbraw/zinc/26/06/40/1125260640.db2.gz CPPQMYDSEFDJDL-BXUZGUMPSA-N 0 1 281.346 3.825 20 0 CHADMN [O-]c1ccc(F)c(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c1F ZINC000508624066 1125260644 /nfs/dbraw/zinc/26/06/44/1125260644.db2.gz CPPQMYDSEFDJDL-BXUZGUMPSA-N 0 1 281.346 3.825 20 0 CHADMN Cc1ccc([C@H]2CCN(Cc3csnn3)C2(C)C)cc1 ZINC000880286902 1125261757 /nfs/dbraw/zinc/26/17/57/1125261757.db2.gz HVQDZCABNFWGIH-OAHLLOKOSA-N 0 1 287.432 3.615 20 0 CHADMN Fc1ccc(CN2CC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000880313377 1125264540 /nfs/dbraw/zinc/26/45/40/1125264540.db2.gz LZDZIXSEBYMIFP-NSHDSACASA-N 0 1 296.798 3.925 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CC[C@H](c2nccs2)C1 ZINC000880316583 1125264586 /nfs/dbraw/zinc/26/45/86/1125264586.db2.gz HXXILTUIVLJWGU-MNOVXSKESA-N 0 1 294.370 3.972 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CC[C@@H](c2nccs2)C1 ZINC000880316585 1125264930 /nfs/dbraw/zinc/26/49/30/1125264930.db2.gz HXXILTUIVLJWGU-WDEREUQCSA-N 0 1 294.370 3.972 20 0 CHADMN Cc1c2[nH]c(-c3ccc(N)cc3)nc2ccc1Cl ZINC000215261127 1125267536 /nfs/dbraw/zinc/26/75/36/1125267536.db2.gz DSOOZWZPSVFWGW-UHFFFAOYSA-N 0 1 257.724 3.774 20 0 CHADMN c1ncc(CN2CCCSC[C@H]2c2ccccc2)s1 ZINC000880387472 1125271177 /nfs/dbraw/zinc/27/11/77/1125271177.db2.gz AHPALECEWBPROB-HNNXBMFYSA-N 0 1 290.457 3.823 20 0 CHADMN OCc1ccc(F)c(CN2C[C@@H]3CC[C@H]2c2ccccc23)c1 ZINC000880538260 1125279035 /nfs/dbraw/zinc/27/90/35/1125279035.db2.gz MHQZOTMMIHHPCC-LIRRHRJNSA-N 0 1 297.373 3.752 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2nc(-c3cccs3)no2)C1 ZINC000475726820 1125281383 /nfs/dbraw/zinc/28/13/83/1125281383.db2.gz LDAFKNBZGIVVFG-UTUOFQBUSA-N 0 1 291.420 3.665 20 0 CHADMN COC1([C@H](C)NCc2ncc(Cl)s2)CCCCC1 ZINC000872114564 1125283302 /nfs/dbraw/zinc/28/33/02/1125283302.db2.gz ZUORHRDCMKDGKQ-JTQLQIEISA-N 0 1 288.844 3.624 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NC/C=C\c1ccccc1 ZINC000211151118 1125290349 /nfs/dbraw/zinc/29/03/49/1125290349.db2.gz FKQYJPBXSDKIES-MQGYJPLLSA-N 0 1 256.349 3.655 20 0 CHADMN Cc1cc(CN2CCSC(C)(C)CC2)cc(Cl)n1 ZINC000321243840 1125299878 /nfs/dbraw/zinc/29/98/78/1125299878.db2.gz DQGNANQFJNZDEC-UHFFFAOYSA-N 0 1 284.856 3.761 20 0 CHADMN CCCCN(C)CC(=O)Nc1cccc2ccccc21 ZINC000023991568 1125302106 /nfs/dbraw/zinc/30/21/06/1125302106.db2.gz SRCAWMWRXRWKQX-UHFFFAOYSA-N 0 1 270.376 3.510 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc(C)c(C)n2)c(C)n1 ZINC000666157805 1125302368 /nfs/dbraw/zinc/30/23/68/1125302368.db2.gz XCLLKKZXGCKHQF-AWEZNQCLSA-N 0 1 269.392 3.561 20 0 CHADMN CCN(C)c1ccc(CN[C@@H](C)c2cc(C)oc2C)cn1 ZINC000190903154 1125320700 /nfs/dbraw/zinc/32/07/00/1125320700.db2.gz MKMMFCPKLNEUQN-ZDUSSCGKSA-N 0 1 287.407 3.598 20 0 CHADMN C[C@@H]1c2cccn2CCN1Cc1c(O)ccc(Cl)c1F ZINC000191169551 1125329741 /nfs/dbraw/zinc/32/97/41/1125329741.db2.gz DUUJCWUMKHGVMX-SNVBAGLBSA-N 0 1 294.757 3.563 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@@H]1c1nncn1C ZINC000192626191 1125333643 /nfs/dbraw/zinc/33/36/43/1125333643.db2.gz GCVFIHPSSGFWKM-HZPDHXFCSA-N 0 1 290.455 3.725 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN1CCC[C@@H]1c1nncn1C ZINC000192626191 1125333647 /nfs/dbraw/zinc/33/36/47/1125333647.db2.gz GCVFIHPSSGFWKM-HZPDHXFCSA-N 0 1 290.455 3.725 20 0 CHADMN Cc1nc2c(n1CC[C@H]1CCCC1(F)F)CCCC2 ZINC000882173903 1125338678 /nfs/dbraw/zinc/33/86/78/1125338678.db2.gz PBERKBBDZYTXRO-GFCCVEGCSA-N 0 1 268.351 3.896 20 0 CHADMN CC(C)(C)CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000170274970 1125341268 /nfs/dbraw/zinc/34/12/68/1125341268.db2.gz GVEQODROCCELQL-UHFFFAOYSA-N 0 1 259.708 3.559 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)N1CCn2cccc2C1 ZINC001168179584 1125344464 /nfs/dbraw/zinc/34/44/64/1125344464.db2.gz LMXLZLLWTXABJO-CYBMUJFWSA-N 0 1 274.795 3.588 20 0 CHADMN CCN(CC)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000170710231 1125345187 /nfs/dbraw/zinc/34/51/87/1125345187.db2.gz OVAQCYQCNWWJHR-UHFFFAOYSA-N 0 1 291.420 3.519 20 0 CHADMN Cc1cc2c(cn1)CN([C@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168187699 1125361670 /nfs/dbraw/zinc/36/16/70/1125361670.db2.gz HPWKWSRJBBYOKP-CYBMUJFWSA-N 0 1 286.806 3.990 20 0 CHADMN C[C@@H](NCc1ccncc1N)c1ccccc1C(F)(F)F ZINC000882918966 1125362601 /nfs/dbraw/zinc/36/26/01/1125362601.db2.gz YHAUABGRNKSRGS-SNVBAGLBSA-N 0 1 295.308 3.533 20 0 CHADMN CC(C)Oc1ncccc1CNC/C=C/c1ccccc1 ZINC000051790176 1125363874 /nfs/dbraw/zinc/36/38/74/1125363874.db2.gz SZECQTOUQZKNPY-UXBLZVDNSA-N 0 1 282.387 3.672 20 0 CHADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000263518879 1125367956 /nfs/dbraw/zinc/36/79/56/1125367956.db2.gz PYBPZYQJLCKTHQ-RYUDHWBXSA-N 0 1 295.448 3.731 20 0 CHADMN CCc1cccc(CC)c1NC(=O)CN1CCCC1(C)C ZINC000170872790 1125370889 /nfs/dbraw/zinc/37/08/89/1125370889.db2.gz OITIZGYXXVSSRO-UHFFFAOYSA-N 0 1 288.435 3.624 20 0 CHADMN CCCN(Cc1nc2ccccc2n1C(F)F)C1CC1 ZINC000170900822 1125380510 /nfs/dbraw/zinc/38/05/10/1125380510.db2.gz HJFYHCRGEFTFCF-UHFFFAOYSA-N 0 1 279.334 3.806 20 0 CHADMN CC1(C)CN[C@@H]1c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000666571019 1125381711 /nfs/dbraw/zinc/38/17/11/1125381711.db2.gz RHZSVJRIABLXAV-SNVBAGLBSA-N 0 1 298.173 3.714 20 0 CHADMN CCSc1ccc(CNCc2ccc(F)nc2)cc1 ZINC000883236276 1125381727 /nfs/dbraw/zinc/38/17/27/1125381727.db2.gz XZENRMNINSESRR-UHFFFAOYSA-N 0 1 276.380 3.623 20 0 CHADMN CC1(C)CN[C@H]1c1nc(-c2cccc3ccccc32)no1 ZINC000666572195 1125382153 /nfs/dbraw/zinc/38/21/53/1125382153.db2.gz VRVISQRAPUOEAK-AWEZNQCLSA-N 0 1 279.343 3.560 20 0 CHADMN CCSc1ccc(CN[C@@H](C)c2nccnc2C)cc1 ZINC000883246016 1125383846 /nfs/dbraw/zinc/38/38/46/1125383846.db2.gz XWCVCMDAIYYRDK-ZDUSSCGKSA-N 0 1 287.432 3.748 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(F)nc2C)cc1F ZINC000785414277 1125387753 /nfs/dbraw/zinc/38/77/53/1125387753.db2.gz WVOMJAYFAMQLRK-SNVBAGLBSA-N 0 1 292.329 3.528 20 0 CHADMN FC1(F)CCC[C@@H]1CCNCc1ncc(Cl)s1 ZINC000883265581 1125388817 /nfs/dbraw/zinc/38/88/17/1125388817.db2.gz FTJFNFAUNAHEBC-MRVPVSSYSA-N 0 1 280.771 3.712 20 0 CHADMN c1ccc2cc(-c3noc([C@H]4CCCCN4)n3)ccc2c1 ZINC000054439615 1125389963 /nfs/dbraw/zinc/38/99/63/1125389963.db2.gz XXSHTIAOVCJMCE-OAHLLOKOSA-N 0 1 279.343 3.704 20 0 CHADMN CCN(C(=O)c1c(O)cccc1F)c1ccccc1C ZINC000228866736 1125393388 /nfs/dbraw/zinc/39/33/88/1125393388.db2.gz UHVDERLULUGGPH-UHFFFAOYSA-N 0 1 273.307 3.506 20 0 CHADMN C[C@@H](CCc1cccc(F)c1)NC1(c2ncccn2)CCC1 ZINC000883313676 1125393566 /nfs/dbraw/zinc/39/35/66/1125393566.db2.gz JWISDJUPFJPTBS-AWEZNQCLSA-N 0 1 299.393 3.606 20 0 CHADMN C[C@H](CCc1ccccc1F)NC1(c2ncccn2)CCC1 ZINC000883313758 1125393649 /nfs/dbraw/zinc/39/36/49/1125393649.db2.gz LTEWGLTXUURLOU-CQSZACIVSA-N 0 1 299.393 3.606 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045083947 1125394398 /nfs/dbraw/zinc/39/43/98/1125394398.db2.gz PBOBRLPACFHNHS-MRXNPFEDSA-N 0 1 273.376 3.539 20 0 CHADMN Fc1cc(F)c(CN2CCc3ccccc3CC2)cc1F ZINC001137891285 1125404164 /nfs/dbraw/zinc/40/41/64/1125404164.db2.gz ILZBNZKBBXJQSA-UHFFFAOYSA-N 0 1 291.316 3.705 20 0 CHADMN F[C@@H]1CCc2ccccc2[C@H]1NCc1cccc2n[nH]cc21 ZINC000883381498 1125406037 /nfs/dbraw/zinc/40/60/37/1125406037.db2.gz ODORLWHQOCGMOR-SJLPKXTDSA-N 0 1 295.361 3.678 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](C)CC1 ZINC000532487417 1125407117 /nfs/dbraw/zinc/40/71/17/1125407117.db2.gz NSWYWPZWWYWVOK-GFCCVEGCSA-N 0 1 294.826 3.709 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H](C)CC1 ZINC000532487417 1125407120 /nfs/dbraw/zinc/40/71/20/1125407120.db2.gz NSWYWPZWWYWVOK-GFCCVEGCSA-N 0 1 294.826 3.709 20 0 CHADMN CCCc1nc(CN(C)[C@@H](C)C(C)(C)C)cs1 ZINC000532490677 1125407913 /nfs/dbraw/zinc/40/79/13/1125407913.db2.gz QFZGKIZMSWIVEF-NSHDSACASA-N 0 1 254.443 3.962 20 0 CHADMN CCc1cc(CN[C@@H]2CC[C@@H](C)c3ccccc32)on1 ZINC000532517041 1125409470 /nfs/dbraw/zinc/40/94/70/1125409470.db2.gz PZYMOSDEVKJNMS-SJKOYZFVSA-N 0 1 270.376 3.965 20 0 CHADMN CC[C@@H]1CCCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000532571552 1125415443 /nfs/dbraw/zinc/41/54/43/1125415443.db2.gz MTRUNIQGPLWUMP-QWHCGFSZSA-N 0 1 279.428 3.940 20 0 CHADMN CC[C@@H]1CCCCCN1CC(=O)Nc1ccc(F)cc1F ZINC000532582214 1125415910 /nfs/dbraw/zinc/41/59/10/1125415910.db2.gz UTVDILBOGBHDSE-CYBMUJFWSA-N 0 1 296.361 3.558 20 0 CHADMN CN(C/C=C\c1ccc(F)c(F)c1)Cc1ccccn1 ZINC000348228446 1125418434 /nfs/dbraw/zinc/41/84/34/1125418434.db2.gz HSTPFMQWMVSYFY-PLNGDYQASA-N 0 1 274.314 3.505 20 0 CHADMN Fc1cccc2c1CC[N@@H+](C[C@@H]1CCC3(CCC3)CO1)C2 ZINC001168235627 1125421964 /nfs/dbraw/zinc/42/19/64/1125421964.db2.gz WAUQLTNYYGMGJV-HNNXBMFYSA-N 0 1 289.394 3.533 20 0 CHADMN Fc1cccc2c1CCN(C[C@@H]1CCC3(CCC3)CO1)C2 ZINC001168235627 1125421965 /nfs/dbraw/zinc/42/19/65/1125421965.db2.gz WAUQLTNYYGMGJV-HNNXBMFYSA-N 0 1 289.394 3.533 20 0 CHADMN CC(C)C1CCC(C[N@@H+](CCC(=O)[O-])CC2CC2)CC1 ZINC000717185617 1125422220 /nfs/dbraw/zinc/42/22/20/1125422220.db2.gz GUVRQHQVBYWAFA-UHFFFAOYSA-N 0 1 281.440 3.636 20 0 CHADMN CO[C@]1(C)CCCN([C@@H](C)c2cc(F)ccc2F)C1 ZINC000348231755 1125422670 /nfs/dbraw/zinc/42/26/70/1125422670.db2.gz PKCNLSGIIQSKKQ-XHDPSFHLSA-N 0 1 269.335 3.527 20 0 CHADMN C[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000332971456 1125429225 /nfs/dbraw/zinc/42/92/25/1125429225.db2.gz DDZLWBIGVYWVNN-SWLSCSKDSA-N 0 1 289.423 3.510 20 0 CHADMN CC/C=C/CCN1CCN(c2ccc(F)cc2Cl)CC1 ZINC001168244814 1125429833 /nfs/dbraw/zinc/42/98/33/1125429833.db2.gz UKAZOAMDLYEICK-ONEGZZNKSA-N 0 1 296.817 3.957 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)C1(c2ccccc2)CCC1 ZINC000041511935 1125433764 /nfs/dbraw/zinc/43/37/64/1125433764.db2.gz UOIUUBXWQULOQN-UHFFFAOYSA-N 0 1 291.354 3.623 20 0 CHADMN CN(CCCn1ccnc1)Cc1ccc(Cl)cc1Cl ZINC000124351645 1125437557 /nfs/dbraw/zinc/43/75/57/1125437557.db2.gz CIAKEWMURYOVRE-UHFFFAOYSA-N 0 1 298.217 3.712 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(Br)cc2)o1 ZINC000042206121 1125440835 /nfs/dbraw/zinc/44/08/35/1125440835.db2.gz SRNUKVVGJHYCIY-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN C[C@@H](Sc1nc(C2CC2)n[nH]1)c1ccc(F)cc1F ZINC000124966696 1125443906 /nfs/dbraw/zinc/44/39/06/1125443906.db2.gz CUVCJKJUIODOHZ-SSDOTTSWSA-N 0 1 281.331 3.814 20 0 CHADMN C[C@@H](Sc1n[nH]c(C2CC2)n1)c1ccc(F)cc1F ZINC000124966696 1125443910 /nfs/dbraw/zinc/44/39/10/1125443910.db2.gz CUVCJKJUIODOHZ-SSDOTTSWSA-N 0 1 281.331 3.814 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2nccnc2C)c(C)c1 ZINC000621711318 1129183449 /nfs/dbraw/zinc/18/34/49/1129183449.db2.gz NZTLOBDSMHSVRN-HNNXBMFYSA-N 0 1 269.392 3.595 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CC(Cc2ccsc2)C1 ZINC000621741488 1129189345 /nfs/dbraw/zinc/18/93/45/1129189345.db2.gz VMCVQWJSCIRETE-UHFFFAOYSA-N 0 1 289.448 3.508 20 0 CHADMN CCc1ccc(CN2CC(Cc3ccsc3)C2)o1 ZINC000621741380 1129189528 /nfs/dbraw/zinc/18/95/28/1129189528.db2.gz PEKOOWZOXBNLMI-UHFFFAOYSA-N 0 1 261.390 3.578 20 0 CHADMN COc1ccc(F)c(CN[C@@H](c2cccnc2)C(C)C)c1 ZINC000621765996 1129191260 /nfs/dbraw/zinc/19/12/60/1129191260.db2.gz KCQCBYCQYKKNGR-QGZVFWFLSA-N 0 1 288.366 3.716 20 0 CHADMN C[C@]1(C2CCCCC2)CCN1C(=O)c1cccc2[nH]cnc21 ZINC000636385094 1129201596 /nfs/dbraw/zinc/20/15/96/1129201596.db2.gz AFUAKRQBVGWHKW-GOSISDBHSA-N 0 1 297.402 3.748 20 0 CHADMN FC(F)(F)c1cccc(-c2cccc3[nH]nnc32)c1 ZINC001239515872 1131357457 /nfs/dbraw/zinc/35/74/57/1131357457.db2.gz JGRBBZWJYAJJKC-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN O=C(Nc1nc(C2CCC2)cs1)c1cnc2ccc[nH]c1-2 ZINC000621975333 1129211391 /nfs/dbraw/zinc/21/13/91/1129211391.db2.gz BYOARHOBKYJMKC-UHFFFAOYSA-N 0 1 298.371 3.539 20 0 CHADMN Cc1nocc1CN[C@H]1CCC(C)(C)c2ccccc21 ZINC000293737028 1129212480 /nfs/dbraw/zinc/21/24/80/1129212480.db2.gz ZUPUTDOZGCBOQX-INIZCTEOSA-N 0 1 270.376 3.885 20 0 CHADMN CO[C@@H]1CC=C(Nc2ncccc2C(F)(F)F)CC1 ZINC001212873172 1129230676 /nfs/dbraw/zinc/23/06/76/1129230676.db2.gz DQPFNRTUILTTMC-SNVBAGLBSA-N 0 1 272.270 3.595 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(-c2ccc(F)cc2)no1 ZINC000386701516 1129231754 /nfs/dbraw/zinc/23/17/54/1129231754.db2.gz UZQRJXPOSULGHG-LBPRGKRZSA-N 0 1 277.343 3.572 20 0 CHADMN Cc1ncc([C@H](C)N(C)[C@@H](C)c2ccc(F)cc2)c(C)n1 ZINC000637880292 1129233562 /nfs/dbraw/zinc/23/35/62/1129233562.db2.gz IBHMXSFRYINTFV-STQMWFEESA-N 0 1 287.382 3.987 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)Cc1cccc(F)c1N ZINC000637880311 1129233930 /nfs/dbraw/zinc/23/39/30/1129233930.db2.gz IMTUIBGDBIFZHP-LLVKDONJSA-N 0 1 276.330 3.740 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000336819503 1129243941 /nfs/dbraw/zinc/24/39/41/1129243941.db2.gz AIZFXQRQXSFNJQ-CHWSQXEVSA-N 0 1 289.366 3.531 20 0 CHADMN Fc1ncccc1CN1CCCC[C@@H]1c1ccccc1 ZINC001138783012 1129245858 /nfs/dbraw/zinc/24/58/58/1129245858.db2.gz KEEBOUBQFKUWFN-MRXNPFEDSA-N 0 1 270.351 3.948 20 0 CHADMN Cn1ccnc1[C@H](NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccccc1 ZINC000638343448 1129255555 /nfs/dbraw/zinc/25/55/55/1129255555.db2.gz PGTDTRNQWKBTDP-NRSFXHEJSA-N 0 1 295.430 3.535 20 0 CHADMN C[C@H]([NH2+]Cc1cccs1)c1cc(Cl)ccc1[O-] ZINC000184872776 1129260529 /nfs/dbraw/zinc/26/05/29/1129260529.db2.gz GOFSDXQSBROCFH-VIFPVBQESA-N 0 1 267.781 3.958 20 0 CHADMN CN(Cc1cn2ccsc2n1)[C@H]1CCCc2ccccc21 ZINC000622500363 1129261830 /nfs/dbraw/zinc/26/18/30/1129261830.db2.gz MSNVNARVDHIJMJ-INIZCTEOSA-N 0 1 297.427 3.905 20 0 CHADMN CCC1(CC)CCCN(C(=O)c2c(O)cccc2F)CC1 ZINC000622549470 1129266044 /nfs/dbraw/zinc/26/60/44/1129266044.db2.gz BMNIRYIFTRGFJS-UHFFFAOYSA-N 0 1 293.382 3.964 20 0 CHADMN COC(=O)c1cc2ccc(-c3cc(C)cc(C)c3)[nH]c-2n1 ZINC001239522712 1131361935 /nfs/dbraw/zinc/36/19/35/1131361935.db2.gz PLSFIEALHJDLOV-UHFFFAOYSA-N 0 1 280.327 3.633 20 0 CHADMN CCN(CN1Cc2c(cccc2Cl)C1=O)C1CCCC1 ZINC000795403601 1129267959 /nfs/dbraw/zinc/26/79/59/1129267959.db2.gz AIMDIHUWZCEZAF-UHFFFAOYSA-N 0 1 292.810 3.518 20 0 CHADMN CCCC[C@H](CC)CC(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795411159 1129272710 /nfs/dbraw/zinc/27/27/10/1129272710.db2.gz BGQCPWWHEDKFHA-LBPRGKRZSA-N 0 1 281.400 3.578 20 0 CHADMN CCCC[C@H](CC)CC(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795411159 1129272714 /nfs/dbraw/zinc/27/27/14/1129272714.db2.gz BGQCPWWHEDKFHA-LBPRGKRZSA-N 0 1 281.400 3.578 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000282576321 1129272883 /nfs/dbraw/zinc/27/28/83/1129272883.db2.gz AEYVEWQPWBCYFH-FFSVYQOJSA-N 0 1 297.402 3.665 20 0 CHADMN C[C@H](c1ccccn1)N(C)[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000638922939 1129274798 /nfs/dbraw/zinc/27/47/98/1129274798.db2.gz NFYNZIDZMRQOMD-CJNGLKHVSA-N 0 1 299.422 3.514 20 0 CHADMN Cc1ccc2[nH]c(CN[C@@H]3CCc4ccccc43)nc2c1 ZINC000348033528 1129275005 /nfs/dbraw/zinc/27/50/05/1129275005.db2.gz AOJFQKYHACMRCT-OAHLLOKOSA-N 0 1 277.371 3.648 20 0 CHADMN Cc1ccc2nc(CN[C@@H]3CCc4ccccc43)[nH]c2c1 ZINC000348033528 1129275010 /nfs/dbraw/zinc/27/50/10/1129275010.db2.gz AOJFQKYHACMRCT-OAHLLOKOSA-N 0 1 277.371 3.648 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(CC2CCC2)C(C)C)[nH]1 ZINC000282653193 1129276072 /nfs/dbraw/zinc/27/60/72/1129276072.db2.gz AYJMFNXNVFOUGI-UHFFFAOYSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1cc(CN2CCC(c3ccc(C)nc3)CC2)sn1 ZINC000638980488 1129276599 /nfs/dbraw/zinc/27/65/99/1129276599.db2.gz FEFBHXBXPLLALP-UHFFFAOYSA-N 0 1 287.432 3.535 20 0 CHADMN CC1(CO)CCN(Cc2oc3ccccc3c2Cl)CC1 ZINC000639049689 1129277914 /nfs/dbraw/zinc/27/79/14/1129277914.db2.gz XUOFEMVXWZLAKQ-UHFFFAOYSA-N 0 1 293.794 3.681 20 0 CHADMN C[C@]12CCCC[C@H]1CN2Cc1ccn(C2CCCC2)n1 ZINC000626105198 1129280659 /nfs/dbraw/zinc/28/06/59/1129280659.db2.gz WWVVIMJFMNDQQN-YOEHRIQHSA-N 0 1 273.424 3.763 20 0 CHADMN Cc1noc([C@H](C)N[C@H](C)CCc2c[nH]c3ccccc23)n1 ZINC000639097967 1129281176 /nfs/dbraw/zinc/28/11/76/1129281176.db2.gz NGZDXDSCEVRHFG-NEPJUHHUSA-N 0 1 298.390 3.531 20 0 CHADMN Cc1nnsc1CN[C@@H]1CCc2ccc(C(C)C)cc21 ZINC000639094219 1129281274 /nfs/dbraw/zinc/28/12/74/1129281274.db2.gz QAKXHZQREPRHSS-OAHLLOKOSA-N 0 1 287.432 3.747 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1noc2c1CCCC2 ZINC000177542179 1129284074 /nfs/dbraw/zinc/28/40/74/1129284074.db2.gz YGEXMBMTTUVKJK-HOCLYGCPSA-N 0 1 296.414 3.931 20 0 CHADMN C[C@@H](OC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC000733912729 1129285609 /nfs/dbraw/zinc/28/56/09/1129285609.db2.gz ZAQWQCGTIAADEX-LSDHHAIUSA-N 0 1 275.392 3.555 20 0 CHADMN C[C@@H](CCc1ccccc1)N1CCO[C@H](c2ccco2)C1 ZINC000177693709 1129286755 /nfs/dbraw/zinc/28/67/55/1129286755.db2.gz NTJPSXOPPVYELD-YJBOKZPZSA-N 0 1 285.387 3.674 20 0 CHADMN CC(F)(F)CCNCc1nc(C(C)(C)C)cs1 ZINC000379259285 1129286851 /nfs/dbraw/zinc/28/68/51/1129286851.db2.gz LLAVYZRLJIPMKT-UHFFFAOYSA-N 0 1 262.369 3.576 20 0 CHADMN Cn1c(CN2CCC[C@H]2c2cccnc2)cc2ccccc21 ZINC000639167774 1129288006 /nfs/dbraw/zinc/28/80/06/1129288006.db2.gz LAGLVEFZJKIJLD-IBGZPJMESA-N 0 1 291.398 3.910 20 0 CHADMN C[C@H](NCc1nccc(C(F)F)n1)[C@@H]1CC2CCC1CC2 ZINC000639183654 1129290306 /nfs/dbraw/zinc/29/03/06/1129290306.db2.gz CKKRCZYSLZGLNG-WTIISPKJSA-N 0 1 295.377 3.719 20 0 CHADMN CCc1ncc(CNCc2ccc(OC)c(Cl)c2)s1 ZINC000718877339 1129293000 /nfs/dbraw/zinc/29/30/00/1129293000.db2.gz LIIINOWKUCUQMF-UHFFFAOYSA-N 0 1 296.823 3.657 20 0 CHADMN COc1ncc(CN[C@H](C)c2cccc(C3CC3)c2)s1 ZINC000639215448 1129293941 /nfs/dbraw/zinc/29/39/41/1129293941.db2.gz BDISMKKBUNOLRD-LLVKDONJSA-N 0 1 288.416 3.880 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccns1)CCC2 ZINC000639220692 1129293955 /nfs/dbraw/zinc/29/39/55/1129293955.db2.gz JJJHCPZSBXTDHF-OAHLLOKOSA-N 0 1 258.390 3.619 20 0 CHADMN C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1cccc(F)c1N ZINC000639229263 1129295076 /nfs/dbraw/zinc/29/50/76/1129295076.db2.gz UKJSEVAQZFGTAS-GXSJLCMTSA-N 0 1 290.304 3.571 20 0 CHADMN CCc1ccc(C)nc1NCc1nc2ccccc2o1 ZINC000639306437 1129301925 /nfs/dbraw/zinc/30/19/25/1129301925.db2.gz CVUGMADWSGYGOK-UHFFFAOYSA-N 0 1 267.332 3.706 20 0 CHADMN COc1ccc(CNCc2cc(C)co2)cc1Cl ZINC000718954656 1129302020 /nfs/dbraw/zinc/30/20/20/1129302020.db2.gz KNISKOYPQLQAKG-UHFFFAOYSA-N 0 1 265.740 3.540 20 0 CHADMN COc1ncc(CN[C@@]2(c3ccccc3)CC2(C)C)s1 ZINC000639339129 1129303190 /nfs/dbraw/zinc/30/31/90/1129303190.db2.gz YXEXXSZGLXUKQN-MRXNPFEDSA-N 0 1 288.416 3.567 20 0 CHADMN Clc1ccc2c(c1)[C@H](NCc1ccns1)CCC2 ZINC000639356949 1129305540 /nfs/dbraw/zinc/30/55/40/1129305540.db2.gz QJHSWGVRXHSUED-CQSZACIVSA-N 0 1 278.808 3.964 20 0 CHADMN CCn1nc(C)c(CN(C)Cc2ccc3[nH]ccc3c2)c1C ZINC000639361370 1129306639 /nfs/dbraw/zinc/30/66/39/1129306639.db2.gz ZBSOSKPOBXMZKK-UHFFFAOYSA-N 0 1 296.418 3.633 20 0 CHADMN CC1(F)CCN(Cc2c(C3CC3)nc3sccn23)CC1 ZINC000639388541 1129309599 /nfs/dbraw/zinc/30/95/99/1129309599.db2.gz GWSMGUCZLBGFIK-UHFFFAOYSA-N 0 1 293.411 3.597 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1nc(C2CCC2)no1 ZINC000639490588 1129319409 /nfs/dbraw/zinc/31/94/09/1129319409.db2.gz SQEITFWVQJGNRA-CJNGLKHVSA-N 0 1 297.402 3.715 20 0 CHADMN CCCCCOc1ccc([C@H](C)NCC(C)=O)cc1OC ZINC000639562230 1129323510 /nfs/dbraw/zinc/32/35/10/1129323510.db2.gz UBFKRSAQXPPOBA-AWEZNQCLSA-N 0 1 293.407 3.504 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2cccc(O)c2)c(C)n1 ZINC000639582958 1129324715 /nfs/dbraw/zinc/32/47/15/1129324715.db2.gz VPUFDLPRKQOPQH-CYBMUJFWSA-N 0 1 270.376 3.563 20 0 CHADMN Cc1cccc([C@@H]2CCN(Cc3nc(C4CCC4)no3)C2)c1 ZINC000639576949 1129325200 /nfs/dbraw/zinc/32/52/00/1129325200.db2.gz ARSULXBZTVUBHK-MRXNPFEDSA-N 0 1 297.402 3.635 20 0 CHADMN CCC[C@@H](NCc1nc(C2CCC2)no1)C(C)(C)C ZINC000639662024 1129329448 /nfs/dbraw/zinc/32/94/48/1129329448.db2.gz IYYMNUPSKPAEKU-GFCCVEGCSA-N 0 1 265.401 3.642 20 0 CHADMN Fc1ccc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)cc1F ZINC000639691607 1129329645 /nfs/dbraw/zinc/32/96/45/1129329645.db2.gz HDAAGKPJNJCWQR-OAHLLOKOSA-N 0 1 288.341 3.739 20 0 CHADMN Fc1ccc(CN2CCC[C@@H](c3cccnc3)C2)cc1F ZINC000639691607 1129329648 /nfs/dbraw/zinc/32/96/48/1129329648.db2.gz HDAAGKPJNJCWQR-OAHLLOKOSA-N 0 1 288.341 3.739 20 0 CHADMN Clc1cnccc1C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639697123 1129330014 /nfs/dbraw/zinc/33/00/14/1129330014.db2.gz XBZBDMXDOIFWRB-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN Clc1cnccc1CN1CCC[C@H](c2cccnc2)C1 ZINC000639697123 1129330018 /nfs/dbraw/zinc/33/00/18/1129330018.db2.gz XBZBDMXDOIFWRB-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN C[C@@H](CCN(C)Cc1ccns1)OCc1ccccc1 ZINC000639806734 1129335198 /nfs/dbraw/zinc/33/51/98/1129335198.db2.gz FZUHHABRHSGYBN-AWEZNQCLSA-N 0 1 290.432 3.570 20 0 CHADMN Cc1ncc(CNc2nc(C)cc3ccccc32)s1 ZINC001154794100 1129337224 /nfs/dbraw/zinc/33/72/24/1129337224.db2.gz BNGMQIXFMVSMOX-UHFFFAOYSA-N 0 1 269.373 3.920 20 0 CHADMN CC(C)c1cnc(CN2CCCC[C@H]2C(C)C)o1 ZINC000735311768 1129340411 /nfs/dbraw/zinc/34/04/11/1129340411.db2.gz RLVRHHQRMILJGY-ZDUSSCGKSA-N 0 1 250.386 3.809 20 0 CHADMN CCc1cc(CCCN2CC(C)(C)[C@H]2c2ccco2)on1 ZINC000639928970 1129340692 /nfs/dbraw/zinc/34/06/92/1129340692.db2.gz JOEBKNDURQOBOS-MRXNPFEDSA-N 0 1 288.391 3.846 20 0 CHADMN C(=C\c1ccccc1)\CNCc1nc2c(s1)CCCC2 ZINC000719549279 1129344600 /nfs/dbraw/zinc/34/46/00/1129344600.db2.gz FNHMTEVRJFRRJN-TWGQIWQCSA-N 0 1 284.428 3.825 20 0 CHADMN CCCn1c(C)nnc1CN1CC[C@@]1(C)C1CCCCC1 ZINC000640219883 1129351450 /nfs/dbraw/zinc/35/14/50/1129351450.db2.gz OCAXCVSFMPQBGI-KRWDZBQOSA-N 0 1 290.455 3.541 20 0 CHADMN COCc1nc(CN2CC[C@@]2(C)C2CCCCC2)cs1 ZINC000640220809 1129351707 /nfs/dbraw/zinc/35/17/07/1129351707.db2.gz XUODWVZRVISIBA-INIZCTEOSA-N 0 1 294.464 3.834 20 0 CHADMN CN(C(=O)c1cc(C(F)F)[nH]n1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000640411146 1129356779 /nfs/dbraw/zinc/35/67/79/1129356779.db2.gz PHKMRSKRZGVSMZ-BXKDBHETSA-N 0 1 299.365 3.634 20 0 CHADMN C[C@@H]1SCCN(C/C=C\Cl)[C@@H]1c1ccccc1 ZINC000735744642 1129356917 /nfs/dbraw/zinc/35/69/17/1129356917.db2.gz UZUZIGKUPRHLGC-PRHFBSNISA-N 0 1 267.825 3.918 20 0 CHADMN C[C@@H]1CCC[C@H](NC(=O)c2n[nH]c3ccc(Cl)cc32)C1 ZINC001124943760 1131368950 /nfs/dbraw/zinc/36/89/50/1131368950.db2.gz QPSSNQOVNQXMDF-KOLCDFICSA-N 0 1 291.782 3.525 20 0 CHADMN CC1(C)CCN(C(=O)c2cc(C(F)F)[nH]n2)CC(C)(C)C1 ZINC000640706041 1129365404 /nfs/dbraw/zinc/36/54/04/1129365404.db2.gz SXGSEQCQJGILIP-UHFFFAOYSA-N 0 1 299.365 3.636 20 0 CHADMN CCCCC[C@H]1CCCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000640710178 1129365544 /nfs/dbraw/zinc/36/55/44/1129365544.db2.gz FACDBOHXFPIHCF-NSHDSACASA-N 0 1 299.365 3.922 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2cccnc21)c1cccc(O)c1 ZINC000091661004 1129368048 /nfs/dbraw/zinc/36/80/48/1129368048.db2.gz HVCJEVJKCQEARL-MLGOLLRUSA-N 0 1 268.360 3.515 20 0 CHADMN C[C@@H](c1ccccc1)n1cc(CN(C)C2CCCCC2)nn1 ZINC000640848813 1129368182 /nfs/dbraw/zinc/36/81/82/1129368182.db2.gz RHDSPBVTFPHQIM-HNNXBMFYSA-N 0 1 298.434 3.652 20 0 CHADMN CC(C(=O)Nc1ccc2c(C)[nH]nc2c1)=C1CCCC1 ZINC000091835020 1129372176 /nfs/dbraw/zinc/37/21/76/1129372176.db2.gz RYFQNWDAIANSGP-UHFFFAOYSA-N 0 1 269.348 3.700 20 0 CHADMN CCCCC[C@H](CC)[N@H+]1CCc2cnc(OC)cc2C1 ZINC001258448636 1129372612 /nfs/dbraw/zinc/37/26/12/1129372612.db2.gz XCKPYNNOSDGFTB-INIZCTEOSA-N 0 1 276.424 3.807 20 0 CHADMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CCOC(C)(C)C ZINC000247738006 1129380865 /nfs/dbraw/zinc/38/08/65/1129380865.db2.gz WDUWYCKOBFNCQO-INMHGKMJSA-N 0 1 291.435 3.652 20 0 CHADMN CSc1ccc(CN[C@@H](C)c2ccc3c(c2)OCO3)o1 ZINC000641706071 1129387290 /nfs/dbraw/zinc/38/72/90/1129387290.db2.gz XGKIBLIQDVAKAG-JTQLQIEISA-N 0 1 291.372 3.581 20 0 CHADMN C[N@@H+](CCCCCC(=O)[O-])C1CCCCCCC1 ZINC000737989989 1129389476 /nfs/dbraw/zinc/38/94/76/1129389476.db2.gz GUGUUZRYQDIFCY-UHFFFAOYSA-N 0 1 255.402 3.676 20 0 CHADMN CSc1ccc(CN[C@H](c2cccnc2)C2CC2)o1 ZINC000641742957 1129389782 /nfs/dbraw/zinc/38/97/82/1129389782.db2.gz DGGWIHKXNBLRSL-HNNXBMFYSA-N 0 1 274.389 3.637 20 0 CHADMN C[C@@H]1CC[C@H](C)N1CC(=O)OCc1cccc(C(F)F)c1 ZINC000795632250 1129390162 /nfs/dbraw/zinc/39/01/62/1129390162.db2.gz VPKRQZGRZUZRBV-TXEJJXNPSA-N 0 1 297.345 3.540 20 0 CHADMN Cc1ccc(CNCc2ccc(CC(F)(F)F)cc2)nc1 ZINC000641764320 1129390716 /nfs/dbraw/zinc/39/07/16/1129390716.db2.gz FUZYCXMYMLUSJJ-UHFFFAOYSA-N 0 1 294.320 3.785 20 0 CHADMN C[C@H]1CSCCN1Cc1ccc(SC(F)F)cc1 ZINC000738340703 1129391796 /nfs/dbraw/zinc/39/17/96/1129391796.db2.gz OMSLDJISTJSAJP-JTQLQIEISA-N 0 1 289.416 3.939 20 0 CHADMN CC(C)c1cnc(CNc2ccc3c[nH]nc3c2)s1 ZINC000641781789 1129392365 /nfs/dbraw/zinc/39/23/65/1129392365.db2.gz AKTLYPNVPVIJNB-UHFFFAOYSA-N 0 1 272.377 3.755 20 0 CHADMN c1[nH]nc2cc(NCc3csc(C4CC4)n3)ccc12 ZINC000641781048 1129392674 /nfs/dbraw/zinc/39/26/74/1129392674.db2.gz RQDRZCXDIAJSSA-UHFFFAOYSA-N 0 1 270.361 3.509 20 0 CHADMN C[C@H]1CCC[C@H](N(C)Cc2ncc(C(C)(C)C)o2)C1 ZINC000642189886 1129409511 /nfs/dbraw/zinc/40/95/11/1129409511.db2.gz ACEZFGKREGBUBD-STQMWFEESA-N 0 1 264.413 3.983 20 0 CHADMN Cc1noc([C@@H](C)NCC2(c3ccccc3)CCCCC2)n1 ZINC000642194971 1129409815 /nfs/dbraw/zinc/40/98/15/1129409815.db2.gz PSITYMJLZBINJH-CQSZACIVSA-N 0 1 299.418 3.931 20 0 CHADMN CC(C)[C@@H](C)N(C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000642253214 1129411841 /nfs/dbraw/zinc/41/18/41/1129411841.db2.gz PXZLMRGNKSUVLX-LLVKDONJSA-N 0 1 293.798 3.866 20 0 CHADMN CN(CCOc1cccc(F)c1)Cc1ccc(F)c(F)c1 ZINC000642329901 1129414474 /nfs/dbraw/zinc/41/44/74/1129414474.db2.gz NYBADVQKIBVJGS-UHFFFAOYSA-N 0 1 295.304 3.615 20 0 CHADMN Cc1cccc(Cl)c1NC(=O)CN(C)CCC(C)C ZINC000179412098 1129414974 /nfs/dbraw/zinc/41/49/74/1129414974.db2.gz UVAIQEBGXYMMDN-UHFFFAOYSA-N 0 1 282.815 3.565 20 0 CHADMN Cc1cccc(C)c1COC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000741016364 1129426380 /nfs/dbraw/zinc/42/63/80/1129426380.db2.gz HVHWRYBFBKNMEI-XHSDSOJGSA-N 0 1 289.419 3.608 20 0 CHADMN Cc1cc(COC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)c(C)s1 ZINC000741021437 1129426505 /nfs/dbraw/zinc/42/65/05/1129426505.db2.gz DZTHCTOCVMSONO-NTZNESFSSA-N 0 1 295.448 3.669 20 0 CHADMN Cc1ccc([C@H](O)CNCc2ccc(-c3ccccc3)o2)o1 ZINC000741260147 1129432292 /nfs/dbraw/zinc/43/22/92/1129432292.db2.gz FGTJNFOSQBFIJV-MRXNPFEDSA-N 0 1 297.354 3.671 20 0 CHADMN CCc1nn(C)cc1CN1CCc2sccc2[C@@H]1CC ZINC000179761164 1129433274 /nfs/dbraw/zinc/43/32/74/1129433274.db2.gz CDCKRAOGXWKMTK-HNNXBMFYSA-N 0 1 289.448 3.553 20 0 CHADMN COc1ccc(C)cc1CN[C@H]1CCCc2ccc(O)cc21 ZINC000643311435 1129438007 /nfs/dbraw/zinc/43/80/07/1129438007.db2.gz ZAYFMOZQBFMLHH-SFHVURJKSA-N 0 1 297.398 3.876 20 0 CHADMN C[C@@H]1CN(Cc2ccc(F)cc2Br)C2(CC2)C1 ZINC001137549866 1129456205 /nfs/dbraw/zinc/45/62/05/1129456205.db2.gz CMXYFTXBUGCFQT-JTQLQIEISA-N 0 1 298.199 3.963 20 0 CHADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1CCCCF ZINC000795909702 1129457532 /nfs/dbraw/zinc/45/75/32/1129457532.db2.gz SZDTVGIOLYFJQF-IJEWVQPXSA-N 0 1 265.372 3.587 20 0 CHADMN O[C@H](CCN1CC[C@@](F)(c2ccccc2)C1)c1ccccc1 ZINC000796064776 1129464523 /nfs/dbraw/zinc/46/45/23/1129464523.db2.gz YYPQLJBJEDBWNL-MOPGFXCFSA-N 0 1 299.389 3.681 20 0 CHADMN CC(C)C1CCN(Cn2ccc(-c3cccs3)n2)CC1 ZINC000742172468 1129468753 /nfs/dbraw/zinc/46/87/53/1129468753.db2.gz OLTAPQOQZLOFEI-UHFFFAOYSA-N 0 1 289.448 3.937 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1ccc(C2CC2)cc1F ZINC000644548649 1129469662 /nfs/dbraw/zinc/46/96/62/1129469662.db2.gz ZJOPKNKRDBMOMU-JTQLQIEISA-N 0 1 273.355 3.585 20 0 CHADMN CCc1nc(C)c(CN[C@H]2c3ccccc3CC[C@H]2C)o1 ZINC000644560305 1129470250 /nfs/dbraw/zinc/47/02/50/1129470250.db2.gz UOHAUDAYGVQCRZ-KZULUSFZSA-N 0 1 284.403 3.959 20 0 CHADMN COc1ccc(CNCc2ccc(Cl)nc2)cc1Cl ZINC000742367466 1129472440 /nfs/dbraw/zinc/47/24/40/1129472440.db2.gz VZAWOGZCKHCRTC-UHFFFAOYSA-N 0 1 297.185 3.687 20 0 CHADMN Cc1cc(CNC(C)(C)c2ccc(C(C)C)cc2)ncn1 ZINC000644676819 1129474134 /nfs/dbraw/zinc/47/41/34/1129474134.db2.gz WIWUTXJOTQPWIY-UHFFFAOYSA-N 0 1 283.419 3.933 20 0 CHADMN CCc1nc(C)c(CN2C[C@H](C(F)(F)F)CC[C@@H]2C)o1 ZINC000644682384 1129474402 /nfs/dbraw/zinc/47/44/02/1129474402.db2.gz UHQDHYXEDPPRRS-GXSJLCMTSA-N 0 1 290.329 3.708 20 0 CHADMN Oc1cccc(CCNc2ccnc3cc(F)ccc32)c1 ZINC000742397412 1129474547 /nfs/dbraw/zinc/47/45/47/1129474547.db2.gz DVEPZPAVQPHNGO-UHFFFAOYSA-N 0 1 282.318 3.734 20 0 CHADMN Cc1ccnc(CN(C)Cc2cccc(C)c2C)c1 ZINC000644704600 1129475628 /nfs/dbraw/zinc/47/56/28/1129475628.db2.gz OLYPZTOJSWKMLC-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN C[C@H](c1nc(-c2ccccc2)no1)N1CCC(C2CC2)CC1 ZINC000644719505 1129476658 /nfs/dbraw/zinc/47/66/58/1129476658.db2.gz YSGUTDPTESCFCP-CYBMUJFWSA-N 0 1 297.402 3.920 20 0 CHADMN CCC/C(C)=C/C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000742400756 1129478179 /nfs/dbraw/zinc/47/81/79/1129478179.db2.gz KCTFICGQCLHVBA-OKFGHLOFSA-N 0 1 292.423 3.525 20 0 CHADMN c1ccc([C@H]2CCCN(Cc3noc4c3CCCC4)C2)cc1 ZINC000645008699 1129483556 /nfs/dbraw/zinc/48/35/56/1129483556.db2.gz JXPNBJSVDJLQDI-INIZCTEOSA-N 0 1 296.414 3.933 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1ccc(C(C)C)nc1C ZINC000645109830 1129487553 /nfs/dbraw/zinc/48/75/53/1129487553.db2.gz DZKQYBBPHONMNB-LBPRGKRZSA-N 0 1 287.407 3.969 20 0 CHADMN c1ccc2c(c1)n[nH]c2CNc1ccc(C2CCC2)cn1 ZINC000645215027 1129491634 /nfs/dbraw/zinc/49/16/34/1129491634.db2.gz IPFKPAHVRRLCGQ-UHFFFAOYSA-N 0 1 278.359 3.838 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1cccc2c1OCCO2 ZINC000742725392 1129496930 /nfs/dbraw/zinc/49/69/30/1129496930.db2.gz PKOVDQGABBPORF-QGZVFWFLSA-N 0 1 295.382 3.543 20 0 CHADMN COC(C)(C)[C@@H](C)NCc1coc(-c2ccc(C)cc2)n1 ZINC000645414102 1129497415 /nfs/dbraw/zinc/49/74/15/1129497415.db2.gz ZWKRUEAGVVYRNZ-CYBMUJFWSA-N 0 1 288.391 3.553 20 0 CHADMN Cc1occc1CN(C)CCc1c(F)cccc1F ZINC000645781064 1129506937 /nfs/dbraw/zinc/50/69/37/1129506937.db2.gz YFEQLEIAOVKTEM-UHFFFAOYSA-N 0 1 265.303 3.541 20 0 CHADMN Fc1cccc(F)c1CCN1CCC[C@@H]1c1ccccn1 ZINC000645813337 1129508580 /nfs/dbraw/zinc/50/85/80/1129508580.db2.gz IJDOVUFZMKQXHR-QGZVFWFLSA-N 0 1 288.341 3.739 20 0 CHADMN Fc1cccc(F)c1CCN(Cc1ccccn1)C1CC1 ZINC000645845122 1129509660 /nfs/dbraw/zinc/50/96/60/1129509660.db2.gz HYQILPGYGXIQLH-UHFFFAOYSA-N 0 1 288.341 3.567 20 0 CHADMN Fc1ccc2c(c1)CCN(Cc1cccc3cnccc31)C2 ZINC000180742555 1129511392 /nfs/dbraw/zinc/51/13/92/1129511392.db2.gz SWDZEBWZXJCAKS-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN COc1c(C)cnc(CNC2(c3ccccc3C)CC2)c1C ZINC000645979398 1129515570 /nfs/dbraw/zinc/51/55/70/1129515570.db2.gz CSIIVSBKFZEQFO-UHFFFAOYSA-N 0 1 296.414 3.794 20 0 CHADMN Cc1ccc(CN(Cc2cnccc2C)CC2CC2)cn1 ZINC000646019928 1129516708 /nfs/dbraw/zinc/51/67/08/1129516708.db2.gz RJMZRBCTRNADDG-UHFFFAOYSA-N 0 1 281.403 3.506 20 0 CHADMN COc1ccccc1C1(NCc2cccs2)CC1 ZINC000646001132 1129516867 /nfs/dbraw/zinc/51/68/67/1129516867.db2.gz CIKDIRFXDUHBHG-UHFFFAOYSA-N 0 1 259.374 3.536 20 0 CHADMN CCCCCC[C@@H](C)CC(=O)N1CCN(CC)[C@@H](C)C1 ZINC001137569115 1131379412 /nfs/dbraw/zinc/37/94/12/1131379412.db2.gz RHBYHGJWMBVOKW-CVEARBPZSA-N 0 1 282.472 3.536 20 0 CHADMN Cc1ccc([C@H]2CCCN2CN2C(=O)CC23CCC3)cc1C ZINC000743356776 1129520410 /nfs/dbraw/zinc/52/04/10/1129520410.db2.gz MBBQJEBQKHASHB-QGZVFWFLSA-N 0 1 298.430 3.553 20 0 CHADMN COc1cccc(CN(Cc2conc2C)CC(C)C)c1 ZINC000646060953 1129520477 /nfs/dbraw/zinc/52/04/77/1129520477.db2.gz KUPXMQPBBRDHID-UHFFFAOYSA-N 0 1 288.391 3.650 20 0 CHADMN CC(C)n1ncnc1CN1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000646052490 1129520644 /nfs/dbraw/zinc/52/06/44/1129520644.db2.gz VKSVUBSKTWMAGR-CABCVRRESA-N 0 1 290.455 3.507 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@H](C)c2cccc(Cl)c2)C1 ZINC000251289718 1129521414 /nfs/dbraw/zinc/52/14/14/1129521414.db2.gz RJHMOMXZSNRYBQ-WBMJQRKESA-N 0 1 295.810 3.978 20 0 CHADMN CC(C)(C)c1noc(CN2CCCC[C@H]2C2CCC2)n1 ZINC000646137664 1129526348 /nfs/dbraw/zinc/52/63/48/1129526348.db2.gz RKCXUBKFAWTSJM-ZDUSSCGKSA-N 0 1 277.412 3.522 20 0 CHADMN CC(C)(C)c1noc(CN2CCCC[C@@H]2C2CCC2)n1 ZINC000646137663 1129526507 /nfs/dbraw/zinc/52/65/07/1129526507.db2.gz RKCXUBKFAWTSJM-CYBMUJFWSA-N 0 1 277.412 3.522 20 0 CHADMN C[C@H]1C[C@H](N(C)Cc2nccs2)CC(C)(C)C1 ZINC001258701924 1129527189 /nfs/dbraw/zinc/52/71/89/1129527189.db2.gz UPVYLZKLKJBIEM-RYUDHWBXSA-N 0 1 252.427 3.790 20 0 CHADMN C[C@H]1C[C@@H](N(C)Cc2nccs2)CC(C)(C)C1 ZINC001258701923 1129527300 /nfs/dbraw/zinc/52/73/00/1129527300.db2.gz UPVYLZKLKJBIEM-NWDGAFQWSA-N 0 1 252.427 3.790 20 0 CHADMN COCc1ccccc1/C=C(/C)CN1CC[C@H](C)[C@H](F)C1 ZINC000646153393 1129527416 /nfs/dbraw/zinc/52/74/16/1129527416.db2.gz WVJWSNPNZWRRBH-ZLTRSOCKSA-N 0 1 291.410 3.916 20 0 CHADMN CO[C@]1(C(F)(F)F)CCCN(Cc2ccsc2C)C1 ZINC000646169518 1129528127 /nfs/dbraw/zinc/52/81/27/1129528127.db2.gz SPJLLGQNJLPOEE-GFCCVEGCSA-N 0 1 293.354 3.600 20 0 CHADMN CCc1nn(C)cc1CN1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000646228455 1129529795 /nfs/dbraw/zinc/52/97/95/1129529795.db2.gz NJISQEAVPPRJHW-SFHVURJKSA-N 0 1 295.430 3.710 20 0 CHADMN CC(C)[C@@H]1N(Cc2nc3c(s2)CCCC3)CC1(C)C ZINC000646221103 1129529799 /nfs/dbraw/zinc/52/97/99/1129529799.db2.gz OGCCBEYHECVEPE-HNNXBMFYSA-N 0 1 278.465 3.888 20 0 CHADMN C[C@H](CN1C[C@@]2(CCCO2)[C@H]1C1CC1)c1ccc(F)cc1 ZINC000646295666 1129531944 /nfs/dbraw/zinc/53/19/44/1129531944.db2.gz NSUZUKGEIUBPJY-XWIAVFTESA-N 0 1 289.394 3.573 20 0 CHADMN Cc1ccc(CCN(C/C=C\Cl)C[C@@H]2CCCO2)cc1 ZINC000743864496 1129541732 /nfs/dbraw/zinc/54/17/32/1129541732.db2.gz ZGBMDZPTSYJVAY-ZZBREXMISA-N 0 1 293.838 3.771 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC000646624826 1129541713 /nfs/dbraw/zinc/54/17/13/1129541713.db2.gz AAQMUYIZWDQAHA-WFASDCNBSA-N 0 1 297.402 3.838 20 0 CHADMN C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000743936570 1129544326 /nfs/dbraw/zinc/54/43/26/1129544326.db2.gz CJQICFAPEQPXGA-NSHDSACASA-N 0 1 297.333 3.519 20 0 CHADMN CCc1ccc(NC(=O)C(C)(C)N2CCCCC2)cc1C ZINC001137589328 1131381312 /nfs/dbraw/zinc/38/13/12/1131381312.db2.gz HPMLXXLBJPHSIJ-UHFFFAOYSA-N 0 1 288.435 3.760 20 0 CHADMN CC(C)=C[C@@H]1[C@H](c2nc([C@H](N)CC(C)C)no2)C1(C)C ZINC000647133231 1129551000 /nfs/dbraw/zinc/55/10/00/1129551000.db2.gz PJWXOUPZVHFLQB-JHJVBQTASA-N 0 1 277.412 3.821 20 0 CHADMN C(=C\c1ccc(C2CC2)cc1)\c1nc([C@@H]2CCCN2)no1 ZINC000647144285 1129552094 /nfs/dbraw/zinc/55/20/94/1129552094.db2.gz SVSBABFQXXCTTJ-ANOSYLROSA-N 0 1 281.359 3.542 20 0 CHADMN C/C(=C/c1cccc(Cl)c1)c1nc([C@H]2CCCN2)no1 ZINC000647147637 1129552332 /nfs/dbraw/zinc/55/23/32/1129552332.db2.gz WQKLLLNROJNTIX-CHOZFAJLSA-N 0 1 289.766 3.708 20 0 CHADMN CC[C@H](CC1CCCC1)c1nc([C@H]2CCCN2)no1 ZINC000647149612 1129552720 /nfs/dbraw/zinc/55/27/20/1129552720.db2.gz OFURLVBXYPIHLO-CHWSQXEVSA-N 0 1 263.385 3.568 20 0 CHADMN C/C(=C/c1nc([C@H]2CCCN2)no1)c1cccc(Cl)c1 ZINC000647151407 1129552874 /nfs/dbraw/zinc/55/28/74/1129552874.db2.gz FFIHXPOQBSFGIU-CHOZFAJLSA-N 0 1 289.766 3.708 20 0 CHADMN CC/C(=C\c1nc([C@H]2CCCN2)no1)c1ccc(C)cc1 ZINC000647149244 1129553074 /nfs/dbraw/zinc/55/30/74/1129553074.db2.gz HOAYVFKRVMNJKJ-HFBDAHEESA-N 0 1 283.375 3.753 20 0 CHADMN c1ccc(C2CCC(c3nc([C@H]4CCCN4)no3)CC2)cc1 ZINC000647149149 1129553231 /nfs/dbraw/zinc/55/32/31/1129553231.db2.gz FTMHCCJHLIAWSW-UYSNPLJNSA-N 0 1 297.402 3.936 20 0 CHADMN C[C@@H](N[C@H]1CO[C@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000647181826 1129555271 /nfs/dbraw/zinc/55/52/71/1129555271.db2.gz UEOWLKJLJRAIPR-YRGRVCCFSA-N 0 1 288.416 3.638 20 0 CHADMN CCC[C@@H](NCc1ccnn1CC(C)C)c1ccccn1 ZINC000647179767 1129555373 /nfs/dbraw/zinc/55/53/73/1129555373.db2.gz OCYRKKHJZNZTCY-MRXNPFEDSA-N 0 1 286.423 3.565 20 0 CHADMN COc1ncncc1CN[C@@H](c1ccccc1C)C(C)(C)C ZINC000647189946 1129556002 /nfs/dbraw/zinc/55/60/02/1129556002.db2.gz ABIZSYQTZLCZSA-INIZCTEOSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1ccccc1-n1cc(CN[C@@H]2CCCC[C@H]2F)cn1 ZINC000647218174 1129557333 /nfs/dbraw/zinc/55/73/33/1129557333.db2.gz YVYAIKLYEFSUGT-HZPDHXFCSA-N 0 1 287.382 3.551 20 0 CHADMN COc1ccc(CNC2(c3ccccc3C)CC2)c(OC)c1 ZINC000647224748 1129557632 /nfs/dbraw/zinc/55/76/32/1129557632.db2.gz XNPCXKOUPFUQQH-UHFFFAOYSA-N 0 1 297.398 3.791 20 0 CHADMN Cc1ccccc1C1(NCc2ccnn2CC(C)C)CC1 ZINC000647224757 1129558024 /nfs/dbraw/zinc/55/80/24/1129558024.db2.gz XVBOCULKVINTSE-UHFFFAOYSA-N 0 1 283.419 3.626 20 0 CHADMN Cc1[nH]ncc1[C@@H](C)Nc1cnn([C@H](C)c2ccccc2)c1 ZINC000647328663 1129568772 /nfs/dbraw/zinc/56/87/72/1129568772.db2.gz XAGYZXRTWFUPNA-TZMCWYRMSA-N 0 1 295.390 3.697 20 0 CHADMN C[C@@H](NC1(c2ccccc2F)CCC1)c1ccncc1 ZINC000647333652 1129570499 /nfs/dbraw/zinc/57/04/99/1129570499.db2.gz WIXAXHCVPPNWSZ-CYBMUJFWSA-N 0 1 270.351 3.951 20 0 CHADMN Cc1cccc([C@@H](C)N[C@@H](CCO)c2ccccc2F)c1 ZINC000647346114 1129572183 /nfs/dbraw/zinc/57/21/83/1129572183.db2.gz RJTOGYUYVBZVML-KDOFPFPSSA-N 0 1 287.378 3.908 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@H](CCO)c1ccccc1F ZINC000647345485 1129572841 /nfs/dbraw/zinc/57/28/41/1129572841.db2.gz KBHBBTKDBHYJTA-SWLSCSKDSA-N 0 1 293.407 3.970 20 0 CHADMN Cc1ccc(C2(N[C@H](C)c3ccncn3)CCC2)cc1 ZINC000647352827 1129573877 /nfs/dbraw/zinc/57/38/77/1129573877.db2.gz OYMKZIFNPNJJJW-CQSZACIVSA-N 0 1 267.376 3.515 20 0 CHADMN CC(C)(NC[C@@]1(C)CC1(Cl)Cl)c1nccs1 ZINC000828311726 1131382924 /nfs/dbraw/zinc/38/29/24/1131382924.db2.gz XVEOTEIUSWQFAK-SNVBAGLBSA-N 0 1 279.236 3.552 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1Cn1c2ccccc2n(C)c1=S ZINC000744442275 1129577862 /nfs/dbraw/zinc/57/78/62/1129577862.db2.gz BEVMGVHCLROTJJ-OLZOCXBDSA-N 0 1 289.448 3.787 20 0 CHADMN CN(C)Cc1cccc(/C=C/c2ccc(Cl)cc2)n1 ZINC001241587159 1129588081 /nfs/dbraw/zinc/58/80/81/1129588081.db2.gz DPCHEAARILPRGU-DHZHZOJOSA-N 0 1 272.779 3.967 20 0 CHADMN C[C@@H](NCc1ccc2ccc(F)c(F)c2n1)c1cccnc1 ZINC000647924547 1129588372 /nfs/dbraw/zinc/58/83/72/1129588372.db2.gz KHAWUIUDMZGWNB-LLVKDONJSA-N 0 1 299.324 3.759 20 0 CHADMN Cc1nc(CN(C)[C@@H](C)Cc2ccc(Cl)cc2)co1 ZINC000647964378 1129590067 /nfs/dbraw/zinc/59/00/67/1129590067.db2.gz GRIUKXAUTZLZNJ-NSHDSACASA-N 0 1 278.783 3.699 20 0 CHADMN CC(C)CCc1ccccc1NC(=O)c1coc(CN)c1 ZINC000648039773 1129592660 /nfs/dbraw/zinc/59/26/60/1129592660.db2.gz UQNRBBGPHVDPBM-UHFFFAOYSA-N 0 1 286.375 3.579 20 0 CHADMN CC[C@@H](C(=O)O[C@H](C)c1cc(F)ccc1F)N(CC)CC ZINC000745091179 1129593766 /nfs/dbraw/zinc/59/37/66/1129593766.db2.gz LFNSZLBLRAATCR-ABAIWWIYSA-N 0 1 299.361 3.689 20 0 CHADMN Oc1ccc(CNC2(c3ccccc3Cl)CC2)cc1 ZINC000648052209 1129594006 /nfs/dbraw/zinc/59/40/06/1129594006.db2.gz UPJIJOWSVACVKY-UHFFFAOYSA-N 0 1 273.763 3.825 20 0 CHADMN Cc1[nH]nc2cc(-c3nccc(C(C)(C)C)n3)ccc21 ZINC001241636593 1129595125 /nfs/dbraw/zinc/59/51/25/1129595125.db2.gz KHNKJPGRXXECIN-UHFFFAOYSA-N 0 1 266.348 3.626 20 0 CHADMN Cc1cnn(C)c1CN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000648075141 1129596791 /nfs/dbraw/zinc/59/67/91/1129596791.db2.gz WPAKOMDVQZQUTN-GOSISDBHSA-N 0 1 293.414 3.622 20 0 CHADMN Cc1cccc2nc(-c3c(F)ccc(F)c3F)[nH]c21 ZINC000716383795 1129600553 /nfs/dbraw/zinc/60/05/53/1129600553.db2.gz BQGMAKLCGVLGGI-UHFFFAOYSA-N 0 1 262.234 3.956 20 0 CHADMN CC[C@H]1C[N@@H+](Cc2cc3cc(Cl)cnc3o2)CCS1 ZINC000648374755 1129604858 /nfs/dbraw/zinc/60/48/58/1129604858.db2.gz VJKHZOYOJPVJRJ-ZDUSSCGKSA-N 0 1 296.823 3.809 20 0 CHADMN CC[C@H]1CN(Cc2cc3cc(Cl)cnc3o2)CCS1 ZINC000648374755 1129604860 /nfs/dbraw/zinc/60/48/60/1129604860.db2.gz VJKHZOYOJPVJRJ-ZDUSSCGKSA-N 0 1 296.823 3.809 20 0 CHADMN C[C@]1(CN2CCc3ccc(F)cc3C2)CC1(Cl)Cl ZINC000828391785 1131385372 /nfs/dbraw/zinc/38/53/72/1131385372.db2.gz AMYBCIRISWJPDZ-CYBMUJFWSA-N 0 1 288.193 3.768 20 0 CHADMN CCc1noc(CC)c1CNCc1cccc2ccoc21 ZINC000648483251 1129608527 /nfs/dbraw/zinc/60/85/27/1129608527.db2.gz QOPVXGGQCOFTMI-UHFFFAOYSA-N 0 1 284.359 3.835 20 0 CHADMN Clc1ccc(CNCc2cccc3[nH]ccc32)nc1 ZINC000182684064 1129608674 /nfs/dbraw/zinc/60/86/74/1129608674.db2.gz GJUYTCJKEFKSNJ-UHFFFAOYSA-N 0 1 271.751 3.506 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2CCCC23CCC3)no1 ZINC000648527598 1129610989 /nfs/dbraw/zinc/61/09/89/1129610989.db2.gz SFMOCTGPMCUBIC-OAHLLOKOSA-N 0 1 297.402 3.857 20 0 CHADMN CCC[C@H](CNCc1coc(-c2ccc(C)cc2)n1)OC ZINC000648633975 1129616942 /nfs/dbraw/zinc/61/69/42/1129616942.db2.gz XUPZONCBUJLUKK-MRXNPFEDSA-N 0 1 288.391 3.555 20 0 CHADMN CCc1cc(CN[C@H](C)c2ccc(SC)cc2)[nH]n1 ZINC000746047155 1129623594 /nfs/dbraw/zinc/62/35/94/1129623594.db2.gz JKSHFVDVQLQPDA-LLVKDONJSA-N 0 1 275.421 3.545 20 0 CHADMN C[C@H]1[C@@H](O)CCCN1Cc1cnc(C2CCCCC2)s1 ZINC000648724006 1129623952 /nfs/dbraw/zinc/62/39/52/1129623952.db2.gz SGPVKYXYUFVILK-WFASDCNBSA-N 0 1 294.464 3.536 20 0 CHADMN CCO[C@H]1CCN(Cc2cscc2Cl)C[C@H]1C ZINC000648740969 1129624612 /nfs/dbraw/zinc/62/46/12/1129624612.db2.gz ABMGGCIGRSDPOK-MFKMUULPSA-N 0 1 273.829 3.648 20 0 CHADMN C[C@H](N[C@H]1C[C@@H]1C(F)F)c1sccc1Br ZINC000378727410 1129634616 /nfs/dbraw/zinc/63/46/16/1129634616.db2.gz JHFQKXCHOZZNKY-HAFWLYHUSA-N 0 1 296.180 3.815 20 0 CHADMN [O-]c1cccc2c(NC[C@H]3CCOC4(CCC4)C3)cc[nH+]c12 ZINC000649423720 1129645232 /nfs/dbraw/zinc/64/52/32/1129645232.db2.gz FCWHBGYBYRUHID-ZDUSSCGKSA-N 0 1 298.386 3.702 20 0 CHADMN Cc1cnc(CNCC2CCC(C(C)C)CC2)o1 ZINC000384996163 1129651956 /nfs/dbraw/zinc/65/19/56/1129651956.db2.gz RQGVGBOOAWZCOH-UHFFFAOYSA-N 0 1 250.386 3.535 20 0 CHADMN C[C@H](N[C@H]1CCCc2cccnc21)c1ccc2c(c1)OCO2 ZINC000387457601 1129654451 /nfs/dbraw/zinc/65/44/51/1129654451.db2.gz BIHCVJNUFLFBOP-WFASDCNBSA-N 0 1 296.370 3.539 20 0 CHADMN CC(C)[C@@H](NCc1cn(C)cn1)c1ccc(Cl)cc1 ZINC000389153778 1129655892 /nfs/dbraw/zinc/65/58/92/1129655892.db2.gz XPLHMYIPEJMNEW-OAHLLOKOSA-N 0 1 277.799 3.560 20 0 CHADMN Cc1nc([C@H](C)NCCOCc2ccccc2)c(C)s1 ZINC000390182390 1129657278 /nfs/dbraw/zinc/65/72/78/1129657278.db2.gz KGCLRQFLWLMLLO-LBPRGKRZSA-N 0 1 290.432 3.627 20 0 CHADMN CCc1ccc([C@@H](NCc2cc3n(n2)CCC3)C(C)C)cc1 ZINC000649553388 1129657866 /nfs/dbraw/zinc/65/78/66/1129657866.db2.gz NPFUEKHPSCTYNM-IBGZPJMESA-N 0 1 297.446 3.879 20 0 CHADMN Cc1nc(CN[C@@H]2CCc3cc(C)ccc32)sc1C ZINC000766351578 1129658544 /nfs/dbraw/zinc/65/85/44/1129658544.db2.gz BQOKXSHFSJMDRC-OAHLLOKOSA-N 0 1 272.417 3.845 20 0 CHADMN CC(C)Oc1ccnc(CN[C@H](c2cccnc2)C2CC2)c1 ZINC000649582333 1129659720 /nfs/dbraw/zinc/65/97/20/1129659720.db2.gz APWQJXNDXSKXQQ-SFHVURJKSA-N 0 1 297.402 3.505 20 0 CHADMN C[C@@H](C[C@H](O)c1ccco1)NCc1c(F)cccc1Cl ZINC000305702606 1129660915 /nfs/dbraw/zinc/66/09/15/1129660915.db2.gz DHJXHORXYQTWMM-HZMBPMFUSA-N 0 1 297.757 3.674 20 0 CHADMN CC(C)[N@H+]1CCCN(C(=O)C(C)(C)C2CCCCC2)CC1 ZINC000766407453 1129663681 /nfs/dbraw/zinc/66/36/81/1129663681.db2.gz MXPGRMKNIXFIBU-UHFFFAOYSA-N 0 1 294.483 3.536 20 0 CHADMN CC[C@H](CSc1ccc(Cl)cc1)NCc1ccon1 ZINC000766422776 1129664651 /nfs/dbraw/zinc/66/46/51/1129664651.db2.gz WQHCKRXMTLVTNN-GFCCVEGCSA-N 0 1 296.823 3.989 20 0 CHADMN CC[C@@H](CSc1ccc(Cl)cc1)NCc1ccon1 ZINC000766422777 1129664762 /nfs/dbraw/zinc/66/47/62/1129664762.db2.gz WQHCKRXMTLVTNN-LBPRGKRZSA-N 0 1 296.823 3.989 20 0 CHADMN Cc1ccccc1C1(NCc2cn3ccccc3n2)CCC1 ZINC000649645671 1129665429 /nfs/dbraw/zinc/66/54/29/1129665429.db2.gz CAFNLGKASFJUID-UHFFFAOYSA-N 0 1 291.398 3.812 20 0 CHADMN CCOc1cccc(CNC2(c3ccccc3C)CCC2)n1 ZINC000649644836 1129665611 /nfs/dbraw/zinc/66/56/11/1129665611.db2.gz UPBSHDSPZWBWRS-UHFFFAOYSA-N 0 1 296.414 3.958 20 0 CHADMN Clc1ccccc1C1(NCc2ccncc2)CCC1 ZINC000649643284 1129665926 /nfs/dbraw/zinc/66/59/26/1129665926.db2.gz FNMXHAAEYFFOBK-UHFFFAOYSA-N 0 1 272.779 3.904 20 0 CHADMN COc1ccc(-c2nc(CN3CCC34CCCC4)co2)cc1 ZINC000649655684 1129666493 /nfs/dbraw/zinc/66/64/93/1129666493.db2.gz LLRREIKQEHYCBJ-UHFFFAOYSA-N 0 1 298.386 3.869 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CCC12CCCC2 ZINC000649656680 1129666709 /nfs/dbraw/zinc/66/67/09/1129666709.db2.gz XZBJLGNASZIJGO-UHFFFAOYSA-N 0 1 286.419 3.514 20 0 CHADMN FC(F)(F)[C@H]1CC[N@@H+](Cc2ccccc2OC2CC2)C1 ZINC000828529904 1131389474 /nfs/dbraw/zinc/38/94/74/1131389474.db2.gz YHHGHUWLZYTQGK-LBPRGKRZSA-N 0 1 285.309 3.612 20 0 CHADMN FC(F)(F)[C@H]1CCN(Cc2ccccc2OC2CC2)C1 ZINC000828529904 1131389477 /nfs/dbraw/zinc/38/94/77/1131389477.db2.gz YHHGHUWLZYTQGK-LBPRGKRZSA-N 0 1 285.309 3.612 20 0 CHADMN CC(C)O[C@@H]1CCCN([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000649700013 1129672144 /nfs/dbraw/zinc/67/21/44/1129672144.db2.gz XFZGIXYCJUKZSP-GXTWGEPZSA-N 0 1 283.362 3.915 20 0 CHADMN CC(C)O[C@@H]1CCCN(Cc2sccc2Cl)C1 ZINC000649703494 1129672303 /nfs/dbraw/zinc/67/23/03/1129672303.db2.gz FCNBWCBQCREKKO-LLVKDONJSA-N 0 1 273.829 3.791 20 0 CHADMN Cc1ccc(C(C)(C)Nc2ccc3nc[nH]c3n2)cc1 ZINC001168802227 1129673003 /nfs/dbraw/zinc/67/30/03/1129673003.db2.gz FTRNLHPTXNNXLG-UHFFFAOYSA-N 0 1 266.348 3.614 20 0 CHADMN Cc1nc2ccc(NC(C)(C)c3ccc(C)cc3)nc2[nH]1 ZINC001168806753 1129673128 /nfs/dbraw/zinc/67/31/28/1129673128.db2.gz AWECMRZLUCNNLF-UHFFFAOYSA-N 0 1 280.375 3.922 20 0 CHADMN Fc1cccc2c1CN(C[C@H]1CCCC3(CCC3)O1)CC2 ZINC001168894508 1129680903 /nfs/dbraw/zinc/68/09/03/1129680903.db2.gz RUENIVVWZIZXDD-OAHLLOKOSA-N 0 1 289.394 3.676 20 0 CHADMN CCCCC[C@H](C)NCc1csc([C@@H](C)OC)n1 ZINC000766529434 1129684309 /nfs/dbraw/zinc/68/43/09/1129684309.db2.gz PRZCSTIDHATRNU-NWDGAFQWSA-N 0 1 270.442 3.909 20 0 CHADMN Cc1cnc([C@@H](C)N2CCc3ccc(F)cc3[C@@H](C)C2)o1 ZINC000649894792 1129684409 /nfs/dbraw/zinc/68/44/09/1129684409.db2.gz USDBIGWJBBFMFX-WCQYABFASA-N 0 1 288.366 3.845 20 0 CHADMN CCc1cnc(CN2CCc3ccc(F)cc3[C@@H](C)C2)o1 ZINC000649894839 1129684505 /nfs/dbraw/zinc/68/45/05/1129684505.db2.gz VVERVQFZAASSFU-LBPRGKRZSA-N 0 1 288.366 3.538 20 0 CHADMN FC(F)(F)c1cccc(CN2CC[C@@]3(CC3(F)F)C2)c1 ZINC000649901775 1129684607 /nfs/dbraw/zinc/68/46/07/1129684607.db2.gz RAQUHSBBMATXFI-GFCCVEGCSA-N 0 1 291.263 3.937 20 0 CHADMN Cc1nc2cncc(NC(C)(C)CC(C)(C)C)c2[nH]1 ZINC001169052356 1129692737 /nfs/dbraw/zinc/69/27/37/1129692737.db2.gz JZBSYUFOIOIPMQ-UHFFFAOYSA-N 0 1 260.385 3.893 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc3c(c2)C[C@@H](C)O3)o1 ZINC000720781662 1129699411 /nfs/dbraw/zinc/69/94/11/1129699411.db2.gz RXJAIUQLACEOKO-CHWSQXEVSA-N 0 1 271.360 3.762 20 0 CHADMN COC(=O)[C@H](c1ccccc1C)N1CC[C@H](C)C(C)(C)C1 ZINC001169092547 1129700512 /nfs/dbraw/zinc/70/05/12/1129700512.db2.gz UNEYDOATYDLAKP-HOCLYGCPSA-N 0 1 289.419 3.577 20 0 CHADMN Cc1ccc(CCCNc2nc(C)cc3cc[nH]c32)cn1 ZINC001169254602 1129712847 /nfs/dbraw/zinc/71/28/47/1129712847.db2.gz MQSDFIZWXVFIRQ-UHFFFAOYSA-N 0 1 280.375 3.619 20 0 CHADMN c1nc2cc(-c3noc([C@@H]4C[C@H]4C4CCCC4)n3)ccc2[nH]1 ZINC000650558025 1129713619 /nfs/dbraw/zinc/71/36/19/1129713619.db2.gz AFDUYAAVUBDLAK-QWHCGFSZSA-N 0 1 294.358 3.907 20 0 CHADMN Fc1cc(CN2CC[C@H](COCC3CC3)C2)ccc1Cl ZINC001137654514 1131392705 /nfs/dbraw/zinc/39/27/05/1131392705.db2.gz VTAZJDUQPGBXOB-AWEZNQCLSA-N 0 1 297.801 3.728 20 0 CHADMN Cc1cc(N(C)C)nc(N[C@H]2C[C@@H](C)c3ccccc32)n1 ZINC001169363620 1129720094 /nfs/dbraw/zinc/72/00/94/1129720094.db2.gz IYVSHHFSAPKALE-ABAIWWIYSA-N 0 1 282.391 3.511 20 0 CHADMN Cc1cc(N(C)C)nc(N[C@@H]2C[C@H](C)c3ccccc32)n1 ZINC001169363623 1129720109 /nfs/dbraw/zinc/72/01/09/1129720109.db2.gz IYVSHHFSAPKALE-XHDPSFHLSA-N 0 1 282.391 3.511 20 0 CHADMN CC1(NCc2cc(Cl)ccc2F)CC(F)(F)C1 ZINC000720923841 1129720223 /nfs/dbraw/zinc/72/02/23/1129720223.db2.gz RRVZSKVEZSAGRW-UHFFFAOYSA-N 0 1 263.690 3.757 20 0 CHADMN C[C@@H]1C[C@@H](Nc2ccc3c(n2)NCCO3)c2ccccc21 ZINC001169378250 1129722419 /nfs/dbraw/zinc/72/24/19/1129722419.db2.gz KTKVSDYVWGSVRN-BXUZGUMPSA-N 0 1 281.359 3.546 20 0 CHADMN CN(Cc1ccc(-c2c(F)cccc2F)nc1)C1CC1 ZINC001239574038 1131393375 /nfs/dbraw/zinc/39/33/75/1131393375.db2.gz ZAMRBNYFGBDJFB-UHFFFAOYSA-N 0 1 274.314 3.621 20 0 CHADMN Cc1nccc(N[C@H]2C[C@@H](C)c3ccccc32)c1F ZINC001169382268 1129723572 /nfs/dbraw/zinc/72/35/72/1129723572.db2.gz WXHSYXHTDODHMN-BMIGLBTASA-N 0 1 256.324 3.611 20 0 CHADMN CC[C@@H](NCc1cccnc1OC(C)C)c1ccncc1 ZINC000651190003 1129731831 /nfs/dbraw/zinc/73/18/31/1129731831.db2.gz DTGMMUZQKSNFBP-MRXNPFEDSA-N 0 1 285.391 3.505 20 0 CHADMN CC1(NCc2ccsc2Br)CC(F)(F)C1 ZINC000720972493 1129732074 /nfs/dbraw/zinc/73/20/74/1129732074.db2.gz QOSPDSZKPRDYIB-UHFFFAOYSA-N 0 1 296.180 3.788 20 0 CHADMN CCC[C@@H](NCc1ccc(O)c(F)c1)c1ccccn1 ZINC000766736541 1129732393 /nfs/dbraw/zinc/73/23/93/1129732393.db2.gz YSMMEHPVFQPQKS-CQSZACIVSA-N 0 1 274.339 3.557 20 0 CHADMN C[C@@H](CNc1cc2nc[nH]c2cc1F)c1ccc(O)cc1 ZINC001169543239 1129733197 /nfs/dbraw/zinc/73/31/97/1129733197.db2.gz SWBLVCAAPMVADR-JTQLQIEISA-N 0 1 285.322 3.623 20 0 CHADMN Cc1nc2ncc(-c3c(F)cccc3F)c(C)c2[nH]1 ZINC001239575430 1131394308 /nfs/dbraw/zinc/39/43/08/1131394308.db2.gz CCYIZCWTAKJXNQ-UHFFFAOYSA-N 0 1 259.259 3.520 20 0 CHADMN Cc1cc(C)c(CN[C@@H]2CCc3c2cc(F)cc3F)cn1 ZINC000651473322 1129740399 /nfs/dbraw/zinc/74/03/99/1129740399.db2.gz TVAQPSRYAXSGQK-QGZVFWFLSA-N 0 1 288.341 3.754 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cc2cnccc2o1 ZINC000651669468 1129743507 /nfs/dbraw/zinc/74/35/07/1129743507.db2.gz VXEDSVZHIUXJLD-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2NCc1cc2cnccc2o1 ZINC000651675791 1129743895 /nfs/dbraw/zinc/74/38/95/1129743895.db2.gz CITWDYSIBMSMDG-AWEZNQCLSA-N 0 1 268.316 3.588 20 0 CHADMN CCc1cccc(CN[C@H]2CCOc3c(OC)cccc32)c1 ZINC000651710519 1129745139 /nfs/dbraw/zinc/74/51/39/1129745139.db2.gz FCSVJYWEDJSMKO-KRWDZBQOSA-N 0 1 297.398 3.871 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3ccc(C(C)C)nc3)c2[nH]1 ZINC001156363599 1129745576 /nfs/dbraw/zinc/74/55/76/1129745576.db2.gz ANPOOAWMJBQZFY-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN CC(C)c1nc(CN2CC[C@H](C)[C@@H](F)C2)c2ccccn21 ZINC000651755162 1129747452 /nfs/dbraw/zinc/74/74/52/1129747452.db2.gz CEGYOFPVAGLSIE-KBPBESRZSA-N 0 1 289.398 3.638 20 0 CHADMN COc1ccc(F)cc1CNCc1cccc2c1CCC2 ZINC000651767074 1129747552 /nfs/dbraw/zinc/74/75/52/1129747552.db2.gz FHUHEYINVPTBFF-UHFFFAOYSA-N 0 1 285.362 3.613 20 0 CHADMN COCC[C@@H]1CCCCN1Cc1ccc(Cl)cc1F ZINC001137660540 1131395199 /nfs/dbraw/zinc/39/51/99/1131395199.db2.gz QBGZPXJZDISPBV-AWEZNQCLSA-N 0 1 285.790 3.870 20 0 CHADMN CCc1nc(CN[C@@H]2C[C@H]2CC(C)(C)C)cs1 ZINC000651911937 1129751661 /nfs/dbraw/zinc/75/16/61/1129751661.db2.gz DMNBTJPBUDXHIF-CMPLNLGQSA-N 0 1 252.427 3.620 20 0 CHADMN CN(Cc1cccnc1Br)CC1CCCCC1 ZINC001137800383 1131417674 /nfs/dbraw/zinc/41/76/74/1131417674.db2.gz GPLMEHQSHBROQI-UHFFFAOYSA-N 0 1 297.240 3.856 20 0 CHADMN C[C@H]1C[C@H]1C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000652069972 1129757071 /nfs/dbraw/zinc/75/70/71/1129757071.db2.gz DCXKVUBJHFXSSK-HILJTLORSA-N 0 1 271.404 3.637 20 0 CHADMN CCn1ccnc1[C@H](C)NC1(c2ccccc2C)CCC1 ZINC000652216794 1129759797 /nfs/dbraw/zinc/75/97/97/1129759797.db2.gz GQULHOBLAWDUBU-HNNXBMFYSA-N 0 1 283.419 3.941 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2C[C@H]2CC(C)(C)C)cs1 ZINC000652241069 1129760968 /nfs/dbraw/zinc/76/09/68/1129760968.db2.gz VCFAOUGKYREMPZ-ZMLRMANQSA-N 0 1 252.427 3.927 20 0 CHADMN CC[C@@H](OCCN[C@H](C)c1nccnc1C)c1ccccc1 ZINC000652236097 1129761163 /nfs/dbraw/zinc/76/11/63/1129761163.db2.gz CWGUDELQKYYRQZ-NVXWUHKLSA-N 0 1 299.418 3.604 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](C)CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000652389205 1129764140 /nfs/dbraw/zinc/76/41/40/1129764140.db2.gz CJJVCXDWTCHHIW-UKRRQHHQSA-N 0 1 287.359 3.531 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCCCCC(=O)[O-])C1 ZINC000652421006 1129764955 /nfs/dbraw/zinc/76/49/55/1129764955.db2.gz VBDSKTXRGMJIBX-XJKSGUPXSA-N 0 1 293.382 3.854 20 0 CHADMN C[N@@H+](CCC1CCCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000652473713 1129766011 /nfs/dbraw/zinc/76/60/11/1129766011.db2.gz OAAIQECKGKVQBY-KRWDZBQOSA-N 0 1 289.419 3.585 20 0 CHADMN Cc1cc2ccccc2c(N2C[C@@H](C)CC23CC3)n1 ZINC001156420857 1129771258 /nfs/dbraw/zinc/77/12/58/1129771258.db2.gz WLCCOUNMGGSORK-LBPRGKRZSA-N 0 1 252.361 3.922 20 0 CHADMN CCC1(CC)CN(Cc2ccc(Cl)nc2)CCS1 ZINC000767008088 1129772460 /nfs/dbraw/zinc/77/24/60/1129772460.db2.gz ZPXLSVNMCIPZFF-UHFFFAOYSA-N 0 1 284.856 3.843 20 0 CHADMN Fc1ccccc1SCCN1CCC(F)(F)CC1 ZINC000796538955 1129776997 /nfs/dbraw/zinc/77/69/97/1129776997.db2.gz RILRXSZSIZGCPZ-UHFFFAOYSA-N 0 1 275.339 3.649 20 0 CHADMN CCCC[C@@H](CC)CN(CCO)Cc1cccnc1Cl ZINC000796564140 1129779894 /nfs/dbraw/zinc/77/98/94/1129779894.db2.gz DQGCNGROXKLCHE-CQSZACIVSA-N 0 1 298.858 3.746 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2ccc(C(F)F)cc2F)n1 ZINC000653490750 1129781523 /nfs/dbraw/zinc/78/15/23/1129781523.db2.gz WRLPATOSOQNCED-NSHDSACASA-N 0 1 299.296 3.859 20 0 CHADMN CCN(CCc1noc2ccccc21)CCC(F)(F)F ZINC000653534404 1129783576 /nfs/dbraw/zinc/78/35/76/1129783576.db2.gz KYZHQNCLTGWMTK-UHFFFAOYSA-N 0 1 286.297 3.645 20 0 CHADMN Cc1nc(C2(NCCC(C)(C)C3CC3)CCCC2)no1 ZINC000653561134 1129785167 /nfs/dbraw/zinc/78/51/67/1129785167.db2.gz VAGFCYBLFJMDBZ-UHFFFAOYSA-N 0 1 277.412 3.563 20 0 CHADMN Cc1cc(CN[C@@H](Cn2cccn2)c2ccccc2)c(C)o1 ZINC000767377416 1129790467 /nfs/dbraw/zinc/79/04/67/1129790467.db2.gz LQTUTYPZFVNVQK-SFHVURJKSA-N 0 1 295.386 3.624 20 0 CHADMN CSc1nc2ccccc2c(-c2cccc(F)c2O)n1 ZINC001242349860 1129790522 /nfs/dbraw/zinc/79/05/22/1129790522.db2.gz WCMDWAREIUZKFL-UHFFFAOYSA-N 0 1 286.331 3.863 20 0 CHADMN CCC[C@@H](C)NC(=O)[C@H](C)N[C@H](CC)c1ccccc1F ZINC000653792641 1129795518 /nfs/dbraw/zinc/79/55/18/1129795518.db2.gz PVCILCDLFVOPDB-DVOMOZLQSA-N 0 1 294.414 3.560 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@H]3CCCC[C@H]3C)[nH]c2c1 ZINC001129384335 1129829356 /nfs/dbraw/zinc/82/93/56/1129829356.db2.gz GXTSTABQFFPDPH-NEPJUHHUSA-N 0 1 271.364 3.636 20 0 CHADMN Cn1c2cc(Cl)ccc2nc1CN1CCCCCCC1 ZINC000768143749 1129833244 /nfs/dbraw/zinc/83/32/44/1129833244.db2.gz NUSOSGAOGSFYHS-UHFFFAOYSA-N 0 1 291.826 3.993 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3cccnc32)cs1 ZINC000381102281 1129834288 /nfs/dbraw/zinc/83/42/88/1129834288.db2.gz AQOTZHKWXIRMKZ-AWEZNQCLSA-N 0 1 258.390 3.619 20 0 CHADMN CC(C)[C@@H]1COCCN1Cc1cc2ccccc2s1 ZINC001137685597 1131400602 /nfs/dbraw/zinc/40/06/02/1131400602.db2.gz RQQOAEJXOIUOEV-HNNXBMFYSA-N 0 1 275.417 3.758 20 0 CHADMN COc1ccccc1CN(C)Cc1cncc2ccccc21 ZINC000768164058 1129837951 /nfs/dbraw/zinc/83/79/51/1129837951.db2.gz WVKSMKGETUOJHN-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN Cc1cc(CNCc2ccc(Br)cn2)cs1 ZINC000381394739 1129838350 /nfs/dbraw/zinc/83/83/50/1129838350.db2.gz OKPVNOWAPISSSQ-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN FC1(F)CCC[C@@H](NCc2occc2Br)C1 ZINC000381620999 1129842188 /nfs/dbraw/zinc/84/21/88/1129842188.db2.gz ZMGGPSUBFDLFMH-MRVPVSSYSA-N 0 1 294.139 3.710 20 0 CHADMN CC(C)n1cc(CN2Cc3ccccc3[C@@H](C)C2)cn1 ZINC000768196535 1129842239 /nfs/dbraw/zinc/84/22/39/1129842239.db2.gz QWCMEIPJSBVHPW-AWEZNQCLSA-N 0 1 269.392 3.583 20 0 CHADMN COc1ccc([C@@H]2CCCN2Cc2ccoc2)cc1OC ZINC000768227270 1129845521 /nfs/dbraw/zinc/84/55/21/1129845521.db2.gz FHUKWYRUIONVKP-HNNXBMFYSA-N 0 1 287.359 3.634 20 0 CHADMN CC(C)(O)[C@H]1CCN(Cc2c(Cl)cccc2Cl)C1 ZINC000721869116 1129850009 /nfs/dbraw/zinc/85/00/09/1129850009.db2.gz JRIPFQKUROUFQD-JTQLQIEISA-N 0 1 288.218 3.586 20 0 CHADMN C[C@H](N[C@@H](C)[C@H]1CCCCO1)c1c(F)cccc1F ZINC000381803093 1129850664 /nfs/dbraw/zinc/85/06/64/1129850664.db2.gz QJVRKGSJTJXNDM-COPLHBTASA-N 0 1 269.335 3.573 20 0 CHADMN CCc1nn(C)c(Cl)c1CN(C)[C@@H](C)C(C)(C)C ZINC000768545157 1129864086 /nfs/dbraw/zinc/86/40/86/1129864086.db2.gz UGJNPZLDVRASCG-JTQLQIEISA-N 0 1 271.836 3.502 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2cc(C)n(C)n2)s1 ZINC000800476568 1129876604 /nfs/dbraw/zinc/87/66/04/1129876604.db2.gz LHRZFSWERNRSGQ-VXGBXAGGSA-N 0 1 263.410 3.510 20 0 CHADMN Cc1cc(C)c(NC(=O)c2cc(C(F)F)n[nH]2)c(C)c1 ZINC000900305209 1129876797 /nfs/dbraw/zinc/87/67/97/1129876797.db2.gz LSXXUEHILHYSKM-UHFFFAOYSA-N 0 1 279.290 3.525 20 0 CHADMN COc1ccc(CN(C/C=C\Cl)CC2CC2)c(OC)c1 ZINC000800501406 1129881431 /nfs/dbraw/zinc/88/14/31/1129881431.db2.gz OWVLSRVAOUBVFR-BAQGIRSFSA-N 0 1 295.810 3.668 20 0 CHADMN Cc1ccccc1[C@@]1(F)CCN(C[C@@H]2CCC=CO2)C1 ZINC000800536957 1129882211 /nfs/dbraw/zinc/88/22/11/1129882211.db2.gz VOANNJGIUNLHPK-DOTOQJQBSA-N 0 1 275.367 3.558 20 0 CHADMN c1ccc2c(c1)cncc2CN1CCOc2ccccc2C1 ZINC000768941150 1129883388 /nfs/dbraw/zinc/88/33/88/1129883388.db2.gz PNRNOTBMMHACAS-UHFFFAOYSA-N 0 1 290.366 3.629 20 0 CHADMN CCC/C=C/C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000769030063 1129886682 /nfs/dbraw/zinc/88/66/82/1129886682.db2.gz OSSXGTMQVBNFEC-UXBLZVDNSA-N 0 1 286.419 3.953 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1coc(C2CC2)n1)C1CC1 ZINC000769338665 1129903640 /nfs/dbraw/zinc/90/36/40/1129903640.db2.gz NCQFVMVJEYJBAO-NEPJUHHUSA-N 0 1 262.397 3.951 20 0 CHADMN Clc1ccc2[nH]cc(CN3CC(c4cccnc4)C3)c2c1 ZINC001137714857 1131406176 /nfs/dbraw/zinc/40/61/76/1131406176.db2.gz XVZRKSDSRWUKHS-UHFFFAOYSA-N 0 1 297.789 3.816 20 0 CHADMN Fc1cccc(F)c1CN1CCC2(CCCC2)C1 ZINC000769402573 1129906444 /nfs/dbraw/zinc/90/64/44/1129906444.db2.gz LAQZWODFNHIDMZ-UHFFFAOYSA-N 0 1 251.320 3.731 20 0 CHADMN Cc1cccc(C)c1-c1cc(N2CCCC2)ccn1 ZINC001239595314 1131406396 /nfs/dbraw/zinc/40/63/96/1131406396.db2.gz LPFJWFVSHWDXBE-UHFFFAOYSA-N 0 1 252.361 3.966 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CN1Cc1coc(C2CC2)n1 ZINC000769446675 1129910297 /nfs/dbraw/zinc/91/02/97/1129910297.db2.gz QOTPWBZEWXVXIG-BBRMVZONSA-N 0 1 282.387 3.930 20 0 CHADMN C[C@@H]1CCN(Cc2occc2Br)C[C@@H]1C ZINC000769452415 1129911353 /nfs/dbraw/zinc/91/13/53/1129911353.db2.gz QIYXDNPYKVWYIT-ZJUUUORDSA-N 0 1 272.186 3.520 20 0 CHADMN Cc1cc(CN2C3CCCC2CCC3)cnc1Cl ZINC000769499958 1129913755 /nfs/dbraw/zinc/91/37/55/1129913755.db2.gz TVYUXSUUMLNNCA-UHFFFAOYSA-N 0 1 264.800 3.950 20 0 CHADMN C[C@H]1CCC[C@@H]1CC(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000769584612 1129918588 /nfs/dbraw/zinc/91/85/88/1129918588.db2.gz HFLPOMMTYHWHGU-QWHCGFSZSA-N 0 1 292.398 3.652 20 0 CHADMN CCCCOc1ccc(-c2cc([C@H](C)N)on2)cc1OC ZINC000901387517 1129919522 /nfs/dbraw/zinc/91/95/22/1129919522.db2.gz RVDOURXKMGNBLL-NSHDSACASA-N 0 1 290.363 3.549 20 0 CHADMN CCC[C@@H](N)c1cc(-c2ccccc2OC(C)C)no1 ZINC000901397615 1129920597 /nfs/dbraw/zinc/92/05/97/1129920597.db2.gz AFUNHLUKKVXRAI-CYBMUJFWSA-N 0 1 274.364 3.929 20 0 CHADMN COc1ccc(CN[C@H](C)c2csc3ccccc23)nn1 ZINC000801539558 1129925613 /nfs/dbraw/zinc/92/56/13/1129925613.db2.gz IKHWWEQITOKLAO-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])c(CC)o1 ZINC000901453213 1129926646 /nfs/dbraw/zinc/92/66/46/1129926646.db2.gz OTDXDULOYCSFNW-GFCCVEGCSA-N 0 1 279.380 3.695 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1ccc(C)cc1 ZINC000769862372 1129926804 /nfs/dbraw/zinc/92/68/04/1129926804.db2.gz YCTZZXNPSHTUOW-LBPRGKRZSA-N 0 1 258.365 3.705 20 0 CHADMN CCCc1ccc(C[N@H+]2CC[C@](C(=O)[O-])(C(C)C)C2)s1 ZINC000901468860 1129927712 /nfs/dbraw/zinc/92/77/12/1129927712.db2.gz ORGRAFWYQUSLLX-MRXNPFEDSA-N 0 1 295.448 3.633 20 0 CHADMN C[C@H](NCC(=O)NC1CCCCCCC1)c1ccsc1 ZINC000801570725 1129928531 /nfs/dbraw/zinc/92/85/31/1129928531.db2.gz ULUHJVRVBAVTPX-ZDUSSCGKSA-N 0 1 294.464 3.628 20 0 CHADMN C/C(=C/c1ccccc1)C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000901553842 1129936125 /nfs/dbraw/zinc/93/61/25/1129936125.db2.gz QGHODSSTGRAKDT-KSVUCXBSSA-N 0 1 287.403 3.667 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1ccccc1-c1ccccc1C ZINC000901604996 1129938493 /nfs/dbraw/zinc/93/84/93/1129938493.db2.gz HZPJTSSOZMMUNV-UHFFFAOYSA-N 0 1 297.398 3.959 20 0 CHADMN C[C@H]1CCCC[C@@H]1C[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1 ZINC000901626644 1129939497 /nfs/dbraw/zinc/93/94/97/1129939497.db2.gz BVNIVVHZABCMAS-DZGCQCFKSA-N 0 1 293.382 3.539 20 0 CHADMN CCC[C@@H](C[N@@H+](CCC(=O)[O-])CC1CC1)c1ccccc1 ZINC000901612650 1129939681 /nfs/dbraw/zinc/93/96/81/1129939681.db2.gz INBKPAWXSZOWDT-KRWDZBQOSA-N 0 1 289.419 3.757 20 0 CHADMN CC1=C[C@H](C)C[C@@H](C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000901646772 1129940769 /nfs/dbraw/zinc/94/07/69/1129940769.db2.gz UUSJQAXWFWGBHG-GXTWGEPZSA-N 0 1 285.387 3.693 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C=Cc3cccc(F)c3)ccc12 ZINC000770265699 1129942714 /nfs/dbraw/zinc/94/27/14/1129942714.db2.gz QROJPZXSYGTRPH-VMPITWQZSA-N 0 1 295.317 3.662 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)/C=C3/CC[C@H](C)C3)ccc12 ZINC000770256279 1129943973 /nfs/dbraw/zinc/94/39/73/1129943973.db2.gz BMLVAYYOQRPPDM-UVIKPUKZSA-N 0 1 269.348 3.556 20 0 CHADMN CCCCCC[C@@](C)(CC)C(=O)OCc1n[nH]c(C)n1 ZINC000770648063 1129954903 /nfs/dbraw/zinc/95/49/03/1129954903.db2.gz MIWSGVLCRJSCHX-OAHLLOKOSA-N 0 1 281.400 3.543 20 0 CHADMN CCc1cccc(C[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-])c1 ZINC000901838043 1129958020 /nfs/dbraw/zinc/95/80/20/1129958020.db2.gz HWEJOFRSMGKGJZ-UHFFFAOYSA-N 0 1 291.435 3.818 20 0 CHADMN CC(C)C[C@@H](C)C[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000901840005 1129958335 /nfs/dbraw/zinc/95/83/35/1129958335.db2.gz CQYSUWXJFXCCCV-CQSZACIVSA-N 0 1 271.445 3.737 20 0 CHADMN C[C@@H]1CO[C@@H](c2ccccc2)CN1CCSC(C)(C)C ZINC000801917494 1129958521 /nfs/dbraw/zinc/95/85/21/1129958521.db2.gz FIGKKFQYGHTDKI-GDBMZVCRSA-N 0 1 293.476 3.980 20 0 CHADMN CC(C)C[N@@H+](C/C=C/c1ccccc1)CC(C)(C)C(=O)[O-] ZINC000901840493 1129959407 /nfs/dbraw/zinc/95/94/07/1129959407.db2.gz KUXWYSJUTPSAJE-DHZHZOJOSA-N 0 1 289.419 3.769 20 0 CHADMN CO[C@@H](CNC1(c2ccccc2F)CC1)c1ccccc1 ZINC000801938291 1129962096 /nfs/dbraw/zinc/96/20/96/1129962096.db2.gz DBJBZCVGBGCMNH-KRWDZBQOSA-N 0 1 285.362 3.792 20 0 CHADMN Cc1ccc(-c2ccc(C[N@@H+](CCC(=O)[O-])C3CC3)o2)cc1 ZINC000901970800 1129968578 /nfs/dbraw/zinc/96/85/78/1129968578.db2.gz DFUVRACJQKBFMK-UHFFFAOYSA-N 0 1 299.370 3.694 20 0 CHADMN CCc1cccc2cc(C[N@H+](CC(=O)[O-])[C@H](C)CC)oc21 ZINC000901987363 1129969583 /nfs/dbraw/zinc/96/95/83/1129969583.db2.gz HAFCYLPCSHNYIA-GFCCVEGCSA-N 0 1 289.375 3.680 20 0 CHADMN CCCC1CCC(C[N@@H+](CCC(=O)[O-])C(C)C)CC1 ZINC000901981125 1129969978 /nfs/dbraw/zinc/96/99/78/1129969978.db2.gz YJLVPUFPPKNGSW-UHFFFAOYSA-N 0 1 269.429 3.778 20 0 CHADMN C[C@@H](Cc1ccccc1)C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000901997021 1129970371 /nfs/dbraw/zinc/97/03/71/1129970371.db2.gz KWRKZYZMXIKLBE-DOTOQJQBSA-N 0 1 289.419 3.585 20 0 CHADMN CCCC1CCC(C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)CC1 ZINC000901994070 1129970733 /nfs/dbraw/zinc/97/07/33/1129970733.db2.gz VGZZXBKYPRAJLD-WLYUNCDWSA-N 0 1 281.440 3.778 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000902010313 1129971031 /nfs/dbraw/zinc/97/10/31/1129971031.db2.gz CYDXMRDPVKEUAB-YHUYYLMFSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)c1ccc(CC[N@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC000902018030 1129971907 /nfs/dbraw/zinc/97/19/07/1129971907.db2.gz SDEKAHZPCINGOB-RHSMWYFYSA-N 0 1 289.419 3.538 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CCc1ccc(C(C)C)cc1 ZINC000902020340 1129972046 /nfs/dbraw/zinc/97/20/46/1129972046.db2.gz ZRQYCOGCLNQQRV-KRWDZBQOSA-N 0 1 291.435 3.784 20 0 CHADMN CCn1cnc(CN[C@H](C)c2cccc3ccccc32)c1 ZINC000902032305 1129972725 /nfs/dbraw/zinc/97/27/25/1129972725.db2.gz DBDVBNLTZXEBCG-CQSZACIVSA-N 0 1 279.387 3.907 20 0 CHADMN C[C@@]1(C[N@@H+](CC(=O)[O-])C2CCCC2)C[C@H]1c1ccccc1 ZINC000902039304 1129973600 /nfs/dbraw/zinc/97/36/00/1129973600.db2.gz SLXANPOSKJCVBC-WMZOPIPTSA-N 0 1 287.403 3.509 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(Cl)nc2)c(C)n1 ZINC000771385869 1129978603 /nfs/dbraw/zinc/97/86/03/1129978603.db2.gz UCYSKWRYWZILLP-LLVKDONJSA-N 0 1 275.783 3.598 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H](C)c1ccnc(Cl)c1 ZINC000771388681 1129979720 /nfs/dbraw/zinc/97/97/20/1129979720.db2.gz OYCZXYKSADVPKV-VXGBXAGGSA-N 0 1 275.783 3.850 20 0 CHADMN CC/C(C)=C(\C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000771505534 1129982867 /nfs/dbraw/zinc/98/28/67/1129982867.db2.gz PSCDJICIQAFZNR-BQYQJAHWSA-N 0 1 271.719 3.870 20 0 CHADMN C[C@@H](CC(=O)Nc1cc(F)cc(Cl)c1O)C1CC1 ZINC000771506393 1129983092 /nfs/dbraw/zinc/98/30/92/1129983092.db2.gz UCYSKBWABZJBME-ZETCQYMHSA-N 0 1 271.719 3.559 20 0 CHADMN CS/C=C\C(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000771600670 1129985827 /nfs/dbraw/zinc/98/58/27/1129985827.db2.gz BNXUPZNAIKXBNI-SLGIHZDVSA-N 0 1 296.779 3.697 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C=C3CC[C@H](C)C3)c2C)o1 ZINC000771670255 1129987106 /nfs/dbraw/zinc/98/71/06/1129987106.db2.gz WGSPOZQVTGCXOV-AVMBBCFPSA-N 0 1 299.374 3.971 20 0 CHADMN CCCOc1ccc(CNCc2cc(C)ccc2NC)cn1 ZINC000902216349 1129990038 /nfs/dbraw/zinc/99/00/38/1129990038.db2.gz BBULOPPOPKTGMA-UHFFFAOYSA-N 0 1 299.418 3.510 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000902239606 1129992774 /nfs/dbraw/zinc/99/27/74/1129992774.db2.gz UFADZMPNGMEDGL-HNNXBMFYSA-N 0 1 299.370 3.666 20 0 CHADMN Cc1nonc1CN([C@@H](C)c1ccccc1)C1CCCC1 ZINC000823109849 1131412618 /nfs/dbraw/zinc/41/26/18/1131412618.db2.gz FWXYBLAXAOBKNK-AWEZNQCLSA-N 0 1 285.391 3.884 20 0 CHADMN CC[C@@H](NCc1ccccc1NC)c1c(C)noc1C ZINC000902415800 1130009126 /nfs/dbraw/zinc/00/91/26/1130009126.db2.gz JWLQECXGJAEQGF-CQSZACIVSA-N 0 1 273.380 3.574 20 0 CHADMN CCc1oc(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)cc1C(=O)[O-] ZINC000902436801 1130011181 /nfs/dbraw/zinc/01/11/81/1130011181.db2.gz KVUBXCNAHPPIMT-SJCJKPOMSA-N 0 1 291.391 3.552 20 0 CHADMN COc1ccc(-c2cc3[nH]ccc3c(C)n2)c(OC)c1 ZINC001239620017 1130015997 /nfs/dbraw/zinc/01/59/97/1130015997.db2.gz PDSYZHWQROVUKF-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN CCn1cnc(CN[C@@H]2c3ccccc3CCC[C@H]2C)c1 ZINC000902490738 1130017218 /nfs/dbraw/zinc/01/72/18/1130017218.db2.gz VDKSTLNMMFWUBE-KDOFPFPSSA-N 0 1 283.419 3.706 20 0 CHADMN CCc1oc(C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1C(=O)[O-] ZINC000902508939 1130017916 /nfs/dbraw/zinc/01/79/16/1130017916.db2.gz DLWPGQIEGULGPQ-MRXNPFEDSA-N 0 1 299.370 3.660 20 0 CHADMN CCn1cnc(CN[C@H]2CCc3ccc(C(C)C)cc32)c1 ZINC000902500927 1130019122 /nfs/dbraw/zinc/01/91/22/1130019122.db2.gz NXRQIGGNNRVQJP-SFHVURJKSA-N 0 1 283.419 3.804 20 0 CHADMN CC(C)[N@@H+](Cc1ccnc2c(C(=O)[O-])cccc12)C1CCC1 ZINC000902525124 1130020126 /nfs/dbraw/zinc/02/01/26/1130020126.db2.gz UBQCXJMEVMCHBI-UHFFFAOYSA-N 0 1 298.386 3.696 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@]1(C)Cc1ccccc1)C(=O)[O-] ZINC000902530193 1130021231 /nfs/dbraw/zinc/02/12/31/1130021231.db2.gz GWVHCWXGCWTIIN-GOSISDBHSA-N 0 1 289.419 3.585 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC000902531129 1130021730 /nfs/dbraw/zinc/02/17/30/1130021730.db2.gz XFILXVSPHAMEFF-OLZOCXBDSA-N 0 1 299.370 3.875 20 0 CHADMN O=C([O-])/C=C\c1ccc(C[N@H+]2CCCC23CCCCC3)o1 ZINC000902542885 1130023033 /nfs/dbraw/zinc/02/30/33/1130023033.db2.gz KHKUEUOIZWLLAZ-FPLPWBNLSA-N 0 1 289.375 3.676 20 0 CHADMN CSc1cc(CN[C@H](C)c2ccc(Cl)nc2)ccn1 ZINC000772467592 1130023749 /nfs/dbraw/zinc/02/37/49/1130023749.db2.gz AKOZGDCQJWMSKT-SNVBAGLBSA-N 0 1 293.823 3.703 20 0 CHADMN CC(=O)c1cccc(-c2cccc3nc(C)[nH]c32)c1 ZINC001239636691 1130027757 /nfs/dbraw/zinc/02/77/57/1130027757.db2.gz MBFACIQCQHUHKJ-UHFFFAOYSA-N 0 1 250.301 3.741 20 0 CHADMN CC(=O)c1cccc(-c2ccc3c(c2)CCN(C)C3)c1 ZINC001239639259 1130029648 /nfs/dbraw/zinc/02/96/48/1130029648.db2.gz YLRRGMJDKHCICZ-UHFFFAOYSA-N 0 1 265.356 3.544 20 0 CHADMN CNc1ccccc1CN[C@@H](c1ccccn1)C1CCC1 ZINC000902624767 1130032054 /nfs/dbraw/zinc/03/20/54/1130032054.db2.gz QNVSZYBSKPSBJW-GOSISDBHSA-N 0 1 281.403 3.754 20 0 CHADMN CCn1cnc(CN[C@@H](c2ccc(OC)cc2)C2CCC2)c1 ZINC000902657249 1130035036 /nfs/dbraw/zinc/03/50/36/1130035036.db2.gz UHDTXPYLXZHEEF-GOSISDBHSA-N 0 1 299.418 3.543 20 0 CHADMN COc1ccc(OC)c(-c2ccc3nc(C)[nH]c3c2)c1 ZINC001239664899 1130040121 /nfs/dbraw/zinc/04/01/21/1130040121.db2.gz GZTFDOIRORZQJH-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN CC(C)(C)c1nc2nc[nH]c2c(-c2ccc(F)cc2F)n1 ZINC001239675408 1130046779 /nfs/dbraw/zinc/04/67/79/1130046779.db2.gz IZVOMZFMZZUVPL-UHFFFAOYSA-N 0 1 288.301 3.547 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc(F)cc1F ZINC001239677896 1130048348 /nfs/dbraw/zinc/04/83/48/1130048348.db2.gz NBGHVTCQYRHQKC-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN CN(C)Cc1cccc(-c2ccc(F)cc2F)c1F ZINC001239680483 1130050482 /nfs/dbraw/zinc/05/04/82/1130050482.db2.gz TYSDIJNHXVMEQJ-UHFFFAOYSA-N 0 1 265.278 3.833 20 0 CHADMN CCOc1cc(Cl)ccc1N[C@@H]1CCCc2[nH]ncc21 ZINC000796892291 1130051891 /nfs/dbraw/zinc/05/18/91/1130051891.db2.gz WNTDIXBQMGRQQY-GFCCVEGCSA-N 0 1 291.782 3.951 20 0 CHADMN CC(C)(C)OCCCC(=O)Nc1cccc(Cl)c1O ZINC000802890586 1130058608 /nfs/dbraw/zinc/05/86/08/1130058608.db2.gz CSFVLWAFRAILRM-UHFFFAOYSA-N 0 1 285.771 3.579 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cccc(F)c1F ZINC001239706803 1130063059 /nfs/dbraw/zinc/06/30/59/1130063059.db2.gz UNLDOPRZZQKASO-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN CCN(Cc1c[nH]c2ccccc12)Cc1ccc(F)nc1 ZINC000785985359 1130073114 /nfs/dbraw/zinc/07/31/14/1130073114.db2.gz WOTMEFXDADSTPH-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN COc1ccc(F)cc1-c1cccc2nc(C)[nH]c21 ZINC001239720606 1130073453 /nfs/dbraw/zinc/07/34/53/1130073453.db2.gz DGEVYKVSMKOZDC-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CCc1ccccc1-c1ccc2cc(C(=O)OC)nc-2[nH]1 ZINC001239743690 1130084749 /nfs/dbraw/zinc/08/47/49/1130084749.db2.gz XEDDZEVPAIJPIJ-UHFFFAOYSA-N 0 1 280.327 3.579 20 0 CHADMN c1ccc(Oc2cncc(-c3cccc4[nH]nnc43)c2)cc1 ZINC001239752312 1130092054 /nfs/dbraw/zinc/09/20/54/1130092054.db2.gz TWPBDJCFZBGFEI-UHFFFAOYSA-N 0 1 288.310 3.812 20 0 CHADMN COc1ccc(C)cc1-c1cc2nc[nH]c2c(C)c1 ZINC001239766680 1130098787 /nfs/dbraw/zinc/09/87/87/1130098787.db2.gz IJGYGEFELSBWNE-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN CCc1nc(OC)ccc1-c1cc2nc[nH]c2c(C)c1 ZINC001239773153 1130102719 /nfs/dbraw/zinc/10/27/19/1130102719.db2.gz UTZBWFMPUCWBLZ-UHFFFAOYSA-N 0 1 267.332 3.504 20 0 CHADMN CCc1nc(OC)ccc1-c1cccc2nc(C)[nH]c21 ZINC001239777190 1130103593 /nfs/dbraw/zinc/10/35/93/1130103593.db2.gz DXAXUIWXGVLIRW-UHFFFAOYSA-N 0 1 267.332 3.504 20 0 CHADMN CCCOc1ccc(CN[C@@H](c2ccccn2)C2CC2)cn1 ZINC000903093541 1130110980 /nfs/dbraw/zinc/11/09/80/1130110980.db2.gz SNNDXKHTFCWPJV-GOSISDBHSA-N 0 1 297.402 3.506 20 0 CHADMN O=C(O[C@H]1CCc2ccccc21)[C@@H]1CCCN1C1CCCC1 ZINC000786880897 1130121027 /nfs/dbraw/zinc/12/10/27/1130121027.db2.gz IDAZLNXZRQRDEE-ROUUACIJSA-N 0 1 299.414 3.624 20 0 CHADMN CO[C@@H]1CCC[C@H]1N[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000903165212 1130121919 /nfs/dbraw/zinc/12/19/19/1130121919.db2.gz PTWHSFAUQXOLEA-BHIYHBOVSA-N 0 1 296.414 3.637 20 0 CHADMN c1c[nH]c([C@@H](NC[C@]23C[C@H]2CCCC3)c2ccccc2)n1 ZINC000903162295 1130122137 /nfs/dbraw/zinc/12/21/37/1130122137.db2.gz CFDKSOKHOUHOFV-RYRKJORJSA-N 0 1 281.403 3.669 20 0 CHADMN Cc1nc(F)ccc1CN(Cc1ccccc1)C1CC1 ZINC000787076129 1130127692 /nfs/dbraw/zinc/12/76/92/1130127692.db2.gz DAENXIYVBGYQQF-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN CN(Cc1ccc(Cl)nc1)Cc1ccc2cnccc2c1 ZINC000787075982 1130127984 /nfs/dbraw/zinc/12/79/84/1130127984.db2.gz BQHKYIOZCYMSSA-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN CN(CCC1CC1)Cn1c2ccccc2oc1=S ZINC000746637038 1130131125 /nfs/dbraw/zinc/13/11/25/1130131125.db2.gz JBJSVGGDBOWCMI-UHFFFAOYSA-N 0 1 262.378 3.653 20 0 CHADMN CC(=O)OCc1cccc([C@@H](C)NCc2ccc(C)o2)c1 ZINC000903210948 1130131460 /nfs/dbraw/zinc/13/14/60/1130131460.db2.gz BJDZMFXBNNRRLX-CYBMUJFWSA-N 0 1 287.359 3.502 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccns2)cc1C ZINC000903234312 1130133239 /nfs/dbraw/zinc/13/32/39/1130133239.db2.gz MGNFHZQTURAZTJ-VXGBXAGGSA-N 0 1 276.405 3.872 20 0 CHADMN CC(C)(CN[C@H](c1ncc[nH]1)c1ccc(F)cc1)C1CC1 ZINC000903244396 1130134654 /nfs/dbraw/zinc/13/46/54/1130134654.db2.gz UCBSFXLJWMDNPS-HNNXBMFYSA-N 0 1 287.382 3.664 20 0 CHADMN CCCN(C/C=C\Cl)Cc1ccc(OC)cc1 ZINC000746652764 1130135423 /nfs/dbraw/zinc/13/54/23/1130135423.db2.gz QQETUUNVABMTKB-WTKPLQERSA-N 0 1 253.773 3.660 20 0 CHADMN COc1c(Cl)cccc1CN[C@H](C)c1cnccc1C ZINC000903245525 1130135451 /nfs/dbraw/zinc/13/54/51/1130135451.db2.gz GEUVUCHAVODSKV-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN COC(=O)c1nc2ccc(-c3ccccc3C(C)C)nc2[nH]1 ZINC001239866166 1130141637 /nfs/dbraw/zinc/14/16/37/1130141637.db2.gz LGSFXFPCSMOAAF-UHFFFAOYSA-N 0 1 295.342 3.535 20 0 CHADMN COc1ccc(OC)c(-c2cccc3nc(C)[nH]c32)c1OC ZINC001239879158 1130144857 /nfs/dbraw/zinc/14/48/57/1130144857.db2.gz YLTYAVXGXOMLIW-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN COc1ccc(OC)c(-c2cc3nc[nH]c3c(C)c2)c1OC ZINC001239878181 1130145038 /nfs/dbraw/zinc/14/50/38/1130145038.db2.gz YDXCRGJUORDWKW-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN Fc1ccc([C@@H](N[C@@H]2CCCC3(CC3)C2)c2ncc[nH]2)cc1 ZINC000903280555 1130145073 /nfs/dbraw/zinc/14/50/73/1130145073.db2.gz VELGYMJLGFSNFM-HZPDHXFCSA-N 0 1 299.393 3.951 20 0 CHADMN C[C@@H](N[C@H]1C[C@H](c2ccc(F)cc2F)C1)c1ncco1 ZINC000903296013 1130148209 /nfs/dbraw/zinc/14/82/09/1130148209.db2.gz FLPBNWAJHOGGOO-CKYFFXLPSA-N 0 1 278.302 3.550 20 0 CHADMN CCc1ccc([C@@H](C)NCc2c(C)cc(CO)cc2C)o1 ZINC000903308147 1130150006 /nfs/dbraw/zinc/15/00/06/1130150006.db2.gz OBVQAPZIDCPKDE-CQSZACIVSA-N 0 1 287.403 3.802 20 0 CHADMN CC(C)CNC(=O)c1ccc(-c2ccc3nc[nH]c3c2)cc1 ZINC001239912094 1130151205 /nfs/dbraw/zinc/15/12/05/1130151205.db2.gz QDIFWPGBFBZHJU-UHFFFAOYSA-N 0 1 293.370 3.616 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc2c(c1)COC2)c1cncs1 ZINC000903312683 1130152024 /nfs/dbraw/zinc/15/20/24/1130152024.db2.gz XRBLJVQZVGMBTK-QWRGUYRKSA-N 0 1 274.389 3.585 20 0 CHADMN CSc1ccccc1-c1c[nH]cc2nc(C)nc1-2 ZINC001242944428 1130154247 /nfs/dbraw/zinc/15/42/47/1130154247.db2.gz TUQDYELHFBYQJS-UHFFFAOYSA-N 0 1 255.346 3.655 20 0 CHADMN CSc1ccccc1-c1cncc2[nH]c(C)nc21 ZINC001242944428 1130154249 /nfs/dbraw/zinc/15/42/49/1130154249.db2.gz TUQDYELHFBYQJS-UHFFFAOYSA-N 0 1 255.346 3.655 20 0 CHADMN Cc1cccnc1[C@@H](N[C@H]1CCCn2nccc21)C(C)(C)C ZINC000903328102 1130156271 /nfs/dbraw/zinc/15/62/71/1130156271.db2.gz FLBUHLLXUDUXHU-WMLDXEAASA-N 0 1 298.434 3.798 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@@H](c1ccccn1)C1CC1 ZINC000903335250 1130160350 /nfs/dbraw/zinc/16/03/50/1130160350.db2.gz MZNPJDSGPWWMSV-SCLBCKFNSA-N 0 1 281.403 3.841 20 0 CHADMN Oc1cccc2c1CCC[C@@H]2N[C@H](c1ccccn1)C1CC1 ZINC000903335311 1130160499 /nfs/dbraw/zinc/16/04/99/1130160499.db2.gz NQQRBNQNWHJLMR-LPHOPBHVSA-N 0 1 294.398 3.906 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@H](c1ccccn1)C1CC1 ZINC000903335251 1130160899 /nfs/dbraw/zinc/16/08/99/1130160899.db2.gz MZNPJDSGPWWMSV-UGSOOPFHSA-N 0 1 281.403 3.841 20 0 CHADMN C[C@@H](N[C@@H](c1ccccn1)C1CC1)c1ccccc1N(C)C ZINC000903336514 1130161807 /nfs/dbraw/zinc/16/18/07/1130161807.db2.gz ZROFBEWKYARHDW-AUUYWEPGSA-N 0 1 295.430 3.950 20 0 CHADMN Cn1ccc2cc(-c3cc4nc[nH]c4cc3F)ccc21 ZINC001239942985 1130162865 /nfs/dbraw/zinc/16/28/65/1130162865.db2.gz SBXZICCZEZCGMC-UHFFFAOYSA-N 0 1 265.291 3.861 20 0 CHADMN C[C@H](N[C@H](c1ccccn1)C1CC1)c1ccsc1 ZINC000903341542 1130162900 /nfs/dbraw/zinc/16/29/00/1130162900.db2.gz ZKXOYPOVAMDDCS-NHYWBVRUSA-N 0 1 258.390 3.945 20 0 CHADMN C[C@@H](N[C@@H](c1ccccn1)C1CC1)c1ccsc1 ZINC000903341541 1130163413 /nfs/dbraw/zinc/16/34/13/1130163413.db2.gz ZKXOYPOVAMDDCS-IAQYHMDHSA-N 0 1 258.390 3.945 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2)C(C)(C)CO)c(C)o1 ZINC000787769213 1130163390 /nfs/dbraw/zinc/16/33/90/1130163390.db2.gz BYEAEQHQPYEEPI-KRWDZBQOSA-N 0 1 287.403 3.746 20 0 CHADMN Cc1ccc([C@@H](NCc2cn(C)cn2)C2CCCC2)cc1 ZINC000903352064 1130164770 /nfs/dbraw/zinc/16/47/70/1130164770.db2.gz QLYQEAZXAGKFBO-SFHVURJKSA-N 0 1 283.419 3.750 20 0 CHADMN CCC[C@@H](NCc1c(C)nc2ccccn21)c1ccccn1 ZINC000903422544 1130174001 /nfs/dbraw/zinc/17/40/01/1130174001.db2.gz OQYSVLKAKMLHNJ-OAHLLOKOSA-N 0 1 294.402 3.669 20 0 CHADMN C[C@H](N[C@H](c1ccncc1)C1CC1)c1ccc(Cl)cn1 ZINC000903426138 1130174954 /nfs/dbraw/zinc/17/49/54/1130174954.db2.gz AIKNDMRQTUUHML-ZBEGNZNMSA-N 0 1 287.794 3.932 20 0 CHADMN C[C@H](N[C@@H](c1ccncc1)C1CC1)c1cc(O)cc(F)c1 ZINC000903427885 1130175824 /nfs/dbraw/zinc/17/58/24/1130175824.db2.gz AWDYUWDVUZNGAJ-APPDUMDISA-N 0 1 286.350 3.728 20 0 CHADMN C[C@H](N[C@H](c1ccncc1)C1CC1)c1cccc2c1OCO2 ZINC000903428928 1130176013 /nfs/dbraw/zinc/17/60/13/1130176013.db2.gz MTJZMOOXHNENCO-SJCJKPOMSA-N 0 1 296.370 3.612 20 0 CHADMN Cc1nc(C(C)C)sc1[C@H](C)NC/C=C/Cl ZINC000903443580 1130177812 /nfs/dbraw/zinc/17/78/12/1130177812.db2.gz IQEMGNOPYSVOPS-CYNONHLPSA-N 0 1 258.818 3.978 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCCC2(CCCCC2)CC1 ZINC000903594362 1130183431 /nfs/dbraw/zinc/18/34/31/1130183431.db2.gz FWZZUFZEJNXBPC-GJZGRUSLSA-N 0 1 281.440 3.922 20 0 CHADMN CCc1ccc2ccccc2c1C[N@H+](CC(=O)[O-])CC(C)C ZINC000903597380 1130183488 /nfs/dbraw/zinc/18/34/88/1130183488.db2.gz YQHFVLHBQFTZOQ-UHFFFAOYSA-N 0 1 299.414 3.945 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000903597536 1130183633 /nfs/dbraw/zinc/18/36/33/1130183633.db2.gz NVULCETVTGRVJK-WMLDXEAASA-N 0 1 287.403 3.583 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCCC2(CCCCC2)CC1 ZINC000903594365 1130183877 /nfs/dbraw/zinc/18/38/77/1130183877.db2.gz FWZZUFZEJNXBPC-LSDHHAIUSA-N 0 1 281.440 3.922 20 0 CHADMN CCC[N@@H+](CCc1cccc(F)c1)[C@@H](C(=O)[O-])[C@@H](C)CC ZINC000903597916 1130183895 /nfs/dbraw/zinc/18/38/95/1130183895.db2.gz PKVCOSOVQAZFCL-XJKSGUPXSA-N 0 1 295.398 3.580 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000903627554 1130184600 /nfs/dbraw/zinc/18/46/00/1130184600.db2.gz LXWDVZSBKZKECN-IUHNQTRMSA-N 0 1 295.382 3.553 20 0 CHADMN CN(Cc1cc2c(ccnc2Cl)o1)Cc1ccncc1 ZINC001462069790 1130184754 /nfs/dbraw/zinc/18/47/54/1130184754.db2.gz KLHXNDBFIRTMDG-UHFFFAOYSA-N 0 1 287.750 3.508 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000903600018 1130184719 /nfs/dbraw/zinc/18/47/19/1130184719.db2.gz BQJYQWHFYXBVDI-PBHICJAKSA-N 0 1 289.419 3.570 20 0 CHADMN C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCCCC(=O)[O-] ZINC000903632127 1130185961 /nfs/dbraw/zinc/18/59/61/1130185961.db2.gz SZJFAJSSJQBWGR-NVXWUHKLSA-N 0 1 289.419 3.900 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903696458 1130190440 /nfs/dbraw/zinc/19/04/40/1130190440.db2.gz XHQSFSYMFRBJFP-GDBMZVCRSA-N 0 1 287.403 3.509 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC000903696667 1130190679 /nfs/dbraw/zinc/19/06/79/1130190679.db2.gz LEVIYIWGGLUVKS-GFCCVEGCSA-N 0 1 295.810 3.978 20 0 CHADMN CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC000903703030 1130191293 /nfs/dbraw/zinc/19/12/93/1130191293.db2.gz OXHALTFYAXIEOB-GJZGRUSLSA-N 0 1 293.451 3.780 20 0 CHADMN COc1ccc(-c2cc3nc[nH]c3c(C)c2)c(F)c1 ZINC001240020593 1130195209 /nfs/dbraw/zinc/19/52/09/1130195209.db2.gz JOCLQCMUOXAWEO-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN COc1ccc(-c2cccc3nc(C)[nH]c32)c(F)c1 ZINC001240021275 1130195777 /nfs/dbraw/zinc/19/57/77/1130195777.db2.gz NEPBBPOLACTYQU-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CCCC[C@H](COC)N[C@@H]1COCc2cccc(Cl)c21 ZINC000788600471 1130197102 /nfs/dbraw/zinc/19/71/02/1130197102.db2.gz DHSCUOWKUDZMNQ-UKRRQHHQSA-N 0 1 297.826 3.706 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1cscn1)[C@@H](O)c1ccccc1 ZINC000788625149 1130198890 /nfs/dbraw/zinc/19/88/90/1130198890.db2.gz ZFOGRGKSQACMJR-RCBQFDQVSA-N 0 1 290.432 3.552 20 0 CHADMN Cc1cccc(C)c1CN[C@H](C)c1cn2ccccc2n1 ZINC000788671040 1130202482 /nfs/dbraw/zinc/20/24/82/1130202482.db2.gz VYTATDPLTIFXGM-OAHLLOKOSA-N 0 1 279.387 3.802 20 0 CHADMN CC[N@@H+](Cc1ccccc1)[C@H](CCc1ccccc1)C(=O)[O-] ZINC000903884672 1130207230 /nfs/dbraw/zinc/20/72/30/1130207230.db2.gz BDRMCAPUTHQORH-GOSISDBHSA-N 0 1 297.398 3.595 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)[C@H]2CCC[C@H]21 ZINC000903911437 1130209913 /nfs/dbraw/zinc/20/99/13/1130209913.db2.gz GMXKOFXCVLJGLB-XHSDSOJGSA-N 0 1 291.435 3.532 20 0 CHADMN Cc1cc(C)cc(C[N@@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC000903951630 1130210952 /nfs/dbraw/zinc/21/09/52/1130210952.db2.gz UBTITFOJNKYNJM-IVSAIRAKSA-N 0 1 289.419 3.623 20 0 CHADMN CC(C)CNC(=O)c1cccc(-c2nccc3[nH]ccc32)c1 ZINC001240089581 1130211256 /nfs/dbraw/zinc/21/12/56/1130211256.db2.gz ZBXFMJLNQOZDFC-UHFFFAOYSA-N 0 1 293.370 3.616 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCCC(C)(C)C)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903953599 1130213107 /nfs/dbraw/zinc/21/31/07/1130213107.db2.gz ULCRFHKKFGIQKQ-XJFOESAGSA-N 0 1 269.429 3.632 20 0 CHADMN C[C@@H]1CC[C@@H](CN2CCC[C@H]2c2ccc(F)c(F)c2)O1 ZINC000789323418 1130243699 /nfs/dbraw/zinc/24/36/99/1130243699.db2.gz IKUVIVGOAGHHEM-FFSVYQOJSA-N 0 1 281.346 3.669 20 0 CHADMN c1n[nH]cc1-c1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC001240243102 1130244152 /nfs/dbraw/zinc/24/41/52/1130244152.db2.gz SVXSRTXCSARPAY-UHFFFAOYSA-N 0 1 260.300 3.620 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1cccc(-n2cccn2)c1 ZINC001240249329 1130246624 /nfs/dbraw/zinc/24/66/24/1130246624.db2.gz FRTLIIUPHNKFEO-UHFFFAOYSA-N 0 1 278.290 3.555 20 0 CHADMN C[C@@H]1CC[C@@H](NC2(c3ccccc3C(F)(F)F)COC2)C1 ZINC001170104943 1130247229 /nfs/dbraw/zinc/24/72/29/1130247229.db2.gz ORAOBZGIHZWMNK-VXGBXAGGSA-N 0 1 299.336 3.709 20 0 CHADMN CC(C)Cc1noc(CN(C)C2CCCCCCC2)n1 ZINC000748806333 1130248387 /nfs/dbraw/zinc/24/83/87/1130248387.db2.gz XLKILPBTJXBWGY-UHFFFAOYSA-N 0 1 279.428 3.813 20 0 CHADMN Cc1nc2c[nH]cc(-c3cccc(N4CCCCC4)c3)c-2n1 ZINC001240252392 1130249311 /nfs/dbraw/zinc/24/93/11/1130249311.db2.gz CPEKQFATZTVOGN-UHFFFAOYSA-N 0 1 292.386 3.924 20 0 CHADMN Cc1nc2c(cncc2-c2cccc(N3CCCCC3)c2)[nH]1 ZINC001240252392 1130249316 /nfs/dbraw/zinc/24/93/16/1130249316.db2.gz CPEKQFATZTVOGN-UHFFFAOYSA-N 0 1 292.386 3.924 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1ccc(C(F)(F)F)nc1 ZINC001240267807 1130252484 /nfs/dbraw/zinc/25/24/84/1130252484.db2.gz MTQAOEOIIJVMBO-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN c1ccc(Oc2cccc(-c3ncc4c(n3)CNC4)c2)cc1 ZINC001240271488 1130254151 /nfs/dbraw/zinc/25/41/51/1130254151.db2.gz JQSFYIBWGQXOSH-UHFFFAOYSA-N 0 1 289.338 3.539 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OC[C@H](C)C1CC1 ZINC000789602252 1130265275 /nfs/dbraw/zinc/26/52/75/1130265275.db2.gz NOPWGYHVPORJIX-NSHDSACASA-N 0 1 284.359 3.588 20 0 CHADMN CCc1cc(CN[C@H](C)c2ccc3ccccc3c2)[nH]n1 ZINC000749128264 1130266772 /nfs/dbraw/zinc/26/67/72/1130266772.db2.gz IQFXSRZHMSBQHY-CYBMUJFWSA-N 0 1 279.387 3.976 20 0 CHADMN C/C=C(/CC)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000789641935 1130267537 /nfs/dbraw/zinc/26/75/37/1130267537.db2.gz NQVUQDCLQJGBCR-BABIGQSTSA-N 0 1 291.782 3.750 20 0 CHADMN Cc1nc([C@H](C)NCCOc2ccc(C)cc2)c(C)s1 ZINC000676839629 1130272677 /nfs/dbraw/zinc/27/26/77/1130272677.db2.gz OJGPUHGAPDUCOA-LBPRGKRZSA-N 0 1 290.432 3.798 20 0 CHADMN Cc1c(CN2CCC[C@H]3CCCC[C@H]32)nc2ccccn12 ZINC001137273431 1130280479 /nfs/dbraw/zinc/28/04/79/1130280479.db2.gz MXYPDUBQFIDLQE-NVXWUHKLSA-N 0 1 283.419 3.797 20 0 CHADMN Cc1c(CN2CCC[C@H]3CCCC[C@@H]32)nc2ccccn12 ZINC001137273433 1130280827 /nfs/dbraw/zinc/28/08/27/1130280827.db2.gz MXYPDUBQFIDLQE-WBVHZDCISA-N 0 1 283.419 3.797 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc2occc2c1 ZINC001240425554 1130305446 /nfs/dbraw/zinc/30/54/46/1130305446.db2.gz FLTCGYUGOOFHEH-UHFFFAOYSA-N 0 1 264.284 3.985 20 0 CHADMN Cc1csc(CN2CC[C@H](OC(C)C)C2)c1Cl ZINC001137292616 1130305774 /nfs/dbraw/zinc/30/57/74/1130305774.db2.gz HUZWDINRWPWDJP-NSHDSACASA-N 0 1 273.829 3.709 20 0 CHADMN CCOC1CCN(Cc2scc(C)c2Cl)CC1 ZINC001137291361 1130306612 /nfs/dbraw/zinc/30/66/12/1130306612.db2.gz PQMMMUJZBDXOFA-UHFFFAOYSA-N 0 1 273.829 3.711 20 0 CHADMN Cc1cccc([C@@H](C)OC(=O)c2ccc3cncn3c2)c1 ZINC000790534614 1130319449 /nfs/dbraw/zinc/31/94/49/1130319449.db2.gz RYPUZBREJWCOGX-CYBMUJFWSA-N 0 1 280.327 3.561 20 0 CHADMN Cc1nn(C)c2ccc(-c3ccc4nc[nH]c4c3C)cc12 ZINC001240459539 1130320086 /nfs/dbraw/zinc/32/00/86/1130320086.db2.gz YLYKOISFHMKUDP-UHFFFAOYSA-N 0 1 276.343 3.733 20 0 CHADMN CSc1ccc(F)c(-c2cnc3nc[nH]c3c2C)c1F ZINC001243212772 1130321291 /nfs/dbraw/zinc/32/12/91/1130321291.db2.gz RSVAQCMUAPQUNI-UHFFFAOYSA-N 0 1 291.326 3.933 20 0 CHADMN COc1ccc(CN2CC(Cc3ccccc3)C2)cc1F ZINC000677716632 1130322520 /nfs/dbraw/zinc/32/25/20/1130322520.db2.gz DSGVONCPDAKJNS-UHFFFAOYSA-N 0 1 285.362 3.509 20 0 CHADMN C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCC2(CC2)CC1 ZINC000677718428 1130323608 /nfs/dbraw/zinc/32/36/08/1130323608.db2.gz BHRNCNWRWLDFKY-LBPRGKRZSA-N 0 1 292.810 3.543 20 0 CHADMN CCOC(=O)c1cc2cc(-c3ccsc3C)cnc2[nH]1 ZINC001240501891 1130331695 /nfs/dbraw/zinc/33/16/95/1130331695.db2.gz XMEPTHZEOLQMRX-UHFFFAOYSA-N 0 1 286.356 3.777 20 0 CHADMN CCN(Cc1cccc(NC(C)=O)c1)[C@H](C)c1cccnc1 ZINC000677801819 1130332334 /nfs/dbraw/zinc/33/23/34/1130332334.db2.gz GOVMQQRIZNLFOQ-CQSZACIVSA-N 0 1 297.402 3.623 20 0 CHADMN CC[C@@H](CNC(=O)c1c(C)n[nH]c1C(C)C)c1ccccc1 ZINC000677848262 1130334719 /nfs/dbraw/zinc/33/47/19/1130334719.db2.gz WOMRXAZBVOQUQT-AWEZNQCLSA-N 0 1 299.418 3.765 20 0 CHADMN Cn1ccc(CNCc2ccnc(Oc3ccccc3)c2)c1 ZINC000677848909 1130334833 /nfs/dbraw/zinc/33/48/33/1130334833.db2.gz ZPVYRMCOVZJTCU-UHFFFAOYSA-N 0 1 293.370 3.502 20 0 CHADMN Cc1ccc(F)c(NCc2[nH]nc3ccccc32)c1 ZINC000677850507 1130335113 /nfs/dbraw/zinc/33/51/13/1130335113.db2.gz VRPWDAOGSWONHJ-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN CN(CCC(=O)c1ccccc1)Cc1cc2ccccc2[nH]1 ZINC001137319252 1130341657 /nfs/dbraw/zinc/34/16/57/1130341657.db2.gz SBBOWQWLWVDGAK-UHFFFAOYSA-N 0 1 292.382 3.873 20 0 CHADMN c1c2ccccc2[nH]c1CN1CC2(C1)CCCCC2 ZINC001137319487 1130344743 /nfs/dbraw/zinc/34/47/43/1130344743.db2.gz AUPIMBBRTSBEQD-UHFFFAOYSA-N 0 1 254.377 3.934 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H](F)c1ccccc1 ZINC000791052559 1130348433 /nfs/dbraw/zinc/34/84/33/1130348433.db2.gz XZUAFPPFXWIPQQ-HNNXBMFYSA-N 0 1 283.306 3.521 20 0 CHADMN C[C@H](CN1C[C@@H](C(F)(F)F)OC[C@@H]1C)C1CCCCC1 ZINC001170148966 1130353930 /nfs/dbraw/zinc/35/39/30/1130353930.db2.gz LJZQSVWVJXFLJD-DYEKYZERSA-N 0 1 293.373 3.854 20 0 CHADMN Cc1ccc(CN(Cc2[nH]nc3ccccc32)C2CC2)o1 ZINC000678134858 1130353926 /nfs/dbraw/zinc/35/39/26/1130353926.db2.gz ANHFSBDYBHQUBB-UHFFFAOYSA-N 0 1 281.359 3.629 20 0 CHADMN C[C@H]1c2ccsc2CCN1Cc1[nH]nc2ccccc21 ZINC000678127570 1130354579 /nfs/dbraw/zinc/35/45/79/1130354579.db2.gz URUBRVJSZBGADA-NSHDSACASA-N 0 1 283.400 3.744 20 0 CHADMN CCCN(Cc1cccn1C)Cc1ccccc1F ZINC000678146593 1130359950 /nfs/dbraw/zinc/35/99/50/1130359950.db2.gz IIQQVYREVQFRRG-UHFFFAOYSA-N 0 1 260.356 3.576 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1n[nH]c2ccccc21 ZINC000678144633 1130360587 /nfs/dbraw/zinc/36/05/87/1130360587.db2.gz OIGJAYAKBNYKCL-NSHDSACASA-N 0 1 271.389 3.817 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1[nH]nc2ccccc21 ZINC000678144633 1130360591 /nfs/dbraw/zinc/36/05/91/1130360591.db2.gz OIGJAYAKBNYKCL-NSHDSACASA-N 0 1 271.389 3.817 20 0 CHADMN c1ccc2oc(CN3CCC(c4cccnc4)CC3)nc2c1 ZINC000678169558 1130366531 /nfs/dbraw/zinc/36/65/31/1130366531.db2.gz RIRWNFKSQWBSRA-UHFFFAOYSA-N 0 1 293.370 3.602 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2nccc3ccccc32)on1 ZINC000678182729 1130366613 /nfs/dbraw/zinc/36/66/13/1130366613.db2.gz GPPHGOLRDZXVIH-QGZVFWFLSA-N 0 1 293.370 3.868 20 0 CHADMN Clc1cscc1CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000678185508 1130369577 /nfs/dbraw/zinc/36/95/77/1130369577.db2.gz BPCODDOZGLXAAU-SNVBAGLBSA-N 0 1 281.812 3.504 20 0 CHADMN C[C@H]1c2ccccc2OCCN1Cc1[nH]nc2ccccc21 ZINC000678196730 1130369591 /nfs/dbraw/zinc/36/95/91/1130369591.db2.gz CXVGNJMSRSIYND-ZDUSSCGKSA-N 0 1 293.370 3.519 20 0 CHADMN CCN(Cc1cn[nH]c1)Cc1ccc(Cl)c(Cl)c1 ZINC000678208059 1130371165 /nfs/dbraw/zinc/37/11/65/1130371165.db2.gz KFPAQSKNONBLDU-UHFFFAOYSA-N 0 1 284.190 3.739 20 0 CHADMN CCc1ncc(CN2CCC[C@H]2c2ccc(O)cc2)s1 ZINC000678213004 1130372334 /nfs/dbraw/zinc/37/23/34/1130372334.db2.gz RTDFFAFFUXYCGZ-HNNXBMFYSA-N 0 1 288.416 3.748 20 0 CHADMN c1nc2ccc(-c3ccc(N4CCCC4)cc3)cc2[nH]1 ZINC001240590029 1130375297 /nfs/dbraw/zinc/37/52/97/1130375297.db2.gz KRBQGFLPZAMPPR-UHFFFAOYSA-N 0 1 263.344 3.830 20 0 CHADMN COc1cccc(CN2C3CCCC2CCC3)c1OC ZINC000678278588 1130387674 /nfs/dbraw/zinc/38/76/74/1130387674.db2.gz BSUQZBKVBWFQHL-UHFFFAOYSA-N 0 1 275.392 3.611 20 0 CHADMN Cc1ccc2ncc(CN3C4CCCC3CCC4)n2c1 ZINC000678278773 1130388123 /nfs/dbraw/zinc/38/81/23/1130388123.db2.gz GLDVNYIDNVEFKB-UHFFFAOYSA-N 0 1 269.392 3.550 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1[nH]c(C)cc1C ZINC001137330861 1130394902 /nfs/dbraw/zinc/39/49/02/1130394902.db2.gz DXGSOGWUSQWQJH-CQSZACIVSA-N 0 1 272.392 3.833 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1[nH]c(C)cc1C ZINC001137330860 1130397243 /nfs/dbraw/zinc/39/72/43/1130397243.db2.gz DXGSOGWUSQWQJH-AWEZNQCLSA-N 0 1 272.392 3.833 20 0 CHADMN Cc1ccc(CN2CC(c3nc4ccccc4[nH]3)C2)cc1F ZINC000678315036 1130399307 /nfs/dbraw/zinc/39/93/07/1130399307.db2.gz SRCCAYDUPMRHOL-UHFFFAOYSA-N 0 1 295.361 3.610 20 0 CHADMN COC[C@H]1CCC[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC000678333852 1130400048 /nfs/dbraw/zinc/40/00/48/1130400048.db2.gz NCPDPTAFCGKOAQ-LLVKDONJSA-N 0 1 279.767 3.697 20 0 CHADMN C[C@@H]1CN(Cc2cccc(NCC(C)(C)C)c2)C[C@@H](C)O1 ZINC000678345012 1130406327 /nfs/dbraw/zinc/40/63/27/1130406327.db2.gz KWGURKVBDBEIAC-HUUCEWRRSA-N 0 1 290.451 3.754 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1cnc(C2CC2)s1 ZINC000678362664 1130409484 /nfs/dbraw/zinc/40/94/84/1130409484.db2.gz KRAHOSTVPIKCRP-LLVKDONJSA-N 0 1 273.405 3.575 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@@H](C)c1ccc(C)nc1C ZINC000678420691 1130413715 /nfs/dbraw/zinc/41/37/15/1130413715.db2.gz BHNPPGDZMORIHN-AWEZNQCLSA-N 0 1 299.418 3.570 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@H](C)c1ccc(C)nc1C ZINC000678426510 1130414863 /nfs/dbraw/zinc/41/48/63/1130414863.db2.gz GZKKMBSYZFEGRS-VXGBXAGGSA-N 0 1 273.380 3.715 20 0 CHADMN COc1ccc(C)cc1CN[C@H](C)c1ccc2c(c1)COC2 ZINC000678581634 1130430391 /nfs/dbraw/zinc/43/03/91/1130430391.db2.gz VVABMYGJTYHQLR-CQSZACIVSA-N 0 1 297.398 3.885 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(F)cn1)CC2 ZINC000678584463 1130432290 /nfs/dbraw/zinc/43/22/90/1130432290.db2.gz PXYPAAGLRHQXMK-SJKOYZFVSA-N 0 1 270.351 3.867 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H](C)c2c(C)noc2C)c(C)s1 ZINC000678603880 1130438505 /nfs/dbraw/zinc/43/85/05/1130438505.db2.gz NVHAZNQSOGHNTM-SCZZXKLOSA-N 0 1 293.436 3.819 20 0 CHADMN CCCCc1ccc([C@H](C)NCc2cc(C)ncn2)cc1 ZINC000678604864 1130440074 /nfs/dbraw/zinc/44/00/74/1130440074.db2.gz MNIAYRUTRXVAJO-HNNXBMFYSA-N 0 1 283.419 3.978 20 0 CHADMN CCOc1ccc([C@H](C)NCc2ccncc2Cl)cc1 ZINC000678734208 1130448334 /nfs/dbraw/zinc/44/83/34/1130448334.db2.gz BJNMNBVOZSFKCB-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN c1ccc2c(CN3CCC[C@H]4CCCC[C@H]43)n[nH]c2c1 ZINC001137349951 1130452988 /nfs/dbraw/zinc/45/29/88/1130452988.db2.gz WUYIYEJDZDCYBC-CXAGYDPISA-N 0 1 269.392 3.718 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2C)C(C)C)nn1C ZINC000678773530 1130453381 /nfs/dbraw/zinc/45/33/81/1130453381.db2.gz ORUGGGIPYKZKCE-QGZVFWFLSA-N 0 1 271.408 3.524 20 0 CHADMN CCc1nn(C)cc1CN(C)Cc1ccc(C(C)C)cc1 ZINC000678810498 1130457815 /nfs/dbraw/zinc/45/78/15/1130457815.db2.gz LGLKHARMKUOBQN-UHFFFAOYSA-N 0 1 285.435 3.738 20 0 CHADMN CCN(Cc1n[nH]c2ccccc21)Cc1cccc(F)c1 ZINC001137350660 1130457978 /nfs/dbraw/zinc/45/79/78/1130457978.db2.gz BYXVBMRPVXRKGL-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN CCN(Cc1[nH]nc2ccccc21)Cc1cccc(F)c1 ZINC001137350660 1130457980 /nfs/dbraw/zinc/45/79/80/1130457980.db2.gz BYXVBMRPVXRKGL-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN CCc1nn(C)cc1CN1CC(C)(C)[C@H]1c1ccccc1 ZINC000678818505 1130459358 /nfs/dbraw/zinc/45/93/58/1130459358.db2.gz IHJRDURDDKQONN-QGZVFWFLSA-N 0 1 283.419 3.566 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)N1C[C@@H](F)C[C@H]1C ZINC001170265237 1130469180 /nfs/dbraw/zinc/46/91/80/1130469180.db2.gz GIXRMNOBQNCIFN-LOWVWBTDSA-N 0 1 255.764 3.703 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)N1CCc2cnccc2C1 ZINC001170267832 1130471811 /nfs/dbraw/zinc/47/18/11/1130471811.db2.gz ZKWQPMDNRSULEK-ZDUSSCGKSA-N 0 1 286.806 3.724 20 0 CHADMN CCCCN(Cc1nc2c(s1)CCCC2)C1CC1 ZINC000678955952 1130478715 /nfs/dbraw/zinc/47/87/15/1130478715.db2.gz LCDHOTNOPCHPPJ-UHFFFAOYSA-N 0 1 264.438 3.786 20 0 CHADMN CC[C@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000678972173 1130479689 /nfs/dbraw/zinc/47/96/89/1130479689.db2.gz WHMDDZVKVHSXCW-LBPRGKRZSA-N 0 1 264.438 3.644 20 0 CHADMN C[C@@H](NCc1ccc(Cl)o1)c1ccc2c(c1)COC2 ZINC000678997902 1130481657 /nfs/dbraw/zinc/48/16/57/1130481657.db2.gz QRAWRCDAOXFWRW-SNVBAGLBSA-N 0 1 277.751 3.814 20 0 CHADMN FC(F)(F)c1ccc(-c2cc3[nH]cnc3cn2)cc1 ZINC001240818349 1130485021 /nfs/dbraw/zinc/48/50/21/1130485021.db2.gz SJPZIIUUFUPKAH-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN COc1ccc(C(F)(F)F)cc1-c1nccc2[nH]cnc21 ZINC001240822773 1130486640 /nfs/dbraw/zinc/48/66/40/1130486640.db2.gz NUQWJJNHFNXPLA-UHFFFAOYSA-N 0 1 293.248 3.652 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2c(F)ccc(C)c2F)C12CCC2 ZINC001170385074 1130487080 /nfs/dbraw/zinc/48/70/80/1130487080.db2.gz FSLQZMPBQKHLPI-CABCVRRESA-N 0 1 295.373 3.711 20 0 CHADMN Cn1ccc2cc(-c3cc(N4CCCCC4)ccn3)cnc21 ZINC001240828230 1130487378 /nfs/dbraw/zinc/48/73/78/1130487378.db2.gz FQZXMVLHRFAZDM-UHFFFAOYSA-N 0 1 292.386 3.626 20 0 CHADMN CN1CCN(c2ccc(-c3ccc4c(c3)CC=C4)cc2)CC1 ZINC001240855442 1130492889 /nfs/dbraw/zinc/49/28/89/1130492889.db2.gz QESMJSYGHDYJPU-UHFFFAOYSA-N 0 1 290.410 3.675 20 0 CHADMN C=Cc1ccccc1-c1ccc(N2CCN(C)CC2)cc1 ZINC001240851555 1130493300 /nfs/dbraw/zinc/49/33/00/1130493300.db2.gz LXALJZJBENRUAD-UHFFFAOYSA-N 0 1 278.399 3.748 20 0 CHADMN COc1ccc(-c2ccc(F)c(CN(C)C)c2)cc1C ZINC001240864699 1130497083 /nfs/dbraw/zinc/49/70/83/1130497083.db2.gz BYOJUNBYYAVDKP-UHFFFAOYSA-N 0 1 273.351 3.871 20 0 CHADMN Cc1ccccc1[C@H](O)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000792999742 1130511766 /nfs/dbraw/zinc/51/17/66/1130511766.db2.gz NTEDPSCICKIFCW-QZTJIDSGSA-N 0 1 296.414 3.507 20 0 CHADMN Cc1ccccc1[C@@H](O)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000792999744 1130511969 /nfs/dbraw/zinc/51/19/69/1130511969.db2.gz NTEDPSCICKIFCW-ZWKOTPCHSA-N 0 1 296.414 3.507 20 0 CHADMN Cc1ccc(-c2noc(CN(C(C)C)C(C)C)n2)cc1 ZINC000679320555 1130513361 /nfs/dbraw/zinc/51/33/61/1130513361.db2.gz ZMPVQPDUEGJNCD-UHFFFAOYSA-N 0 1 273.380 3.664 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1ccc(N(C)C)cc1 ZINC001240914749 1130514096 /nfs/dbraw/zinc/51/40/96/1130514096.db2.gz QYXGXRSWERSNBM-UHFFFAOYSA-N 0 1 251.333 3.604 20 0 CHADMN Clc1ccc2cccnc2c1CN1CC=CCC1 ZINC000679324291 1130514886 /nfs/dbraw/zinc/51/48/86/1130514886.db2.gz VEGQGHLRROCGIF-UHFFFAOYSA-N 0 1 258.752 3.650 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@H](C)c1ccccc1OC(C)C ZINC000679334054 1130516160 /nfs/dbraw/zinc/51/61/60/1130516160.db2.gz GDYLKCNHQFTRGG-OLZOCXBDSA-N 0 1 287.407 3.917 20 0 CHADMN Cc1ccc(F)cc1-c1cc(F)c2c(c1)CN(C)CC2 ZINC001240920833 1130517430 /nfs/dbraw/zinc/51/74/30/1130517430.db2.gz JGUYHEZRCVCVSS-UHFFFAOYSA-N 0 1 273.326 3.928 20 0 CHADMN CCOC(=O)c1cc2cc(-c3cc(F)ccc3C)cnc2[nH]1 ZINC001240923098 1130519192 /nfs/dbraw/zinc/51/91/92/1130519192.db2.gz VDFTWGAGZUOJFO-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN COc1cccc(CN(C)Cc2ccc(C(C)(C)C)[nH]2)c1 ZINC001137376391 1130534231 /nfs/dbraw/zinc/53/42/31/1130534231.db2.gz FHJYNAAEIIBBRG-UHFFFAOYSA-N 0 1 286.419 3.953 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccc(F)nc1)CCC2 ZINC000793307966 1130539717 /nfs/dbraw/zinc/53/97/17/1130539717.db2.gz BRXWARIYFDTYLH-HNNXBMFYSA-N 0 1 274.314 3.527 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CNCc1cccnc1F ZINC000793283014 1130540550 /nfs/dbraw/zinc/54/05/50/1130540550.db2.gz YIAPPFWSKOOIDP-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2CCCc3nc(C)sc32)s1 ZINC000679574619 1130541100 /nfs/dbraw/zinc/54/11/00/1130541100.db2.gz BIEVDBBWQNUDFI-GZMMTYOYSA-N 0 1 293.461 3.945 20 0 CHADMN CCO[C@@H]1CCCN(Cc2ccc(Cl)c(C)c2)C1 ZINC000679580681 1130542613 /nfs/dbraw/zinc/54/26/13/1130542613.db2.gz STQQIGLIOKZZKC-CQSZACIVSA-N 0 1 267.800 3.649 20 0 CHADMN CN(C)Cc1cccc(-c2cc(F)c(F)c(F)c2)c1F ZINC001240981273 1130549498 /nfs/dbraw/zinc/54/94/98/1130549498.db2.gz DDKKCJLBKAMLGG-UHFFFAOYSA-N 0 1 283.268 3.972 20 0 CHADMN Cc1cc(-c2cc(F)c(F)c(F)c2)cc2nc[nH]c21 ZINC001240981199 1130549825 /nfs/dbraw/zinc/54/98/25/1130549825.db2.gz ZTJMXHNWEUAZGC-UHFFFAOYSA-N 0 1 262.234 3.956 20 0 CHADMN Fc1ccc2c(c1)[C@H](N1CCC[C@H](OC(F)F)C1)CC2 ZINC000679683583 1130551738 /nfs/dbraw/zinc/55/17/38/1130551738.db2.gz ZWEMWMUAGDCZHU-GXTWGEPZSA-N 0 1 285.309 3.517 20 0 CHADMN COc1c(C)cc(CN2CCC[C@H](OC(F)F)C2)cc1C ZINC000679741165 1130554829 /nfs/dbraw/zinc/55/48/29/1130554829.db2.gz WEMAOCBRXBSSTL-AWEZNQCLSA-N 0 1 299.361 3.516 20 0 CHADMN C[C@H]1CN(Cc2cccc(-c3ccncc3)c2)CCCC1=O ZINC001137387469 1130556507 /nfs/dbraw/zinc/55/65/07/1130556507.db2.gz NMCUBRBAVRQEHT-HNNXBMFYSA-N 0 1 294.398 3.550 20 0 CHADMN Oc1ccccc1-c1nccc(Oc2ccccc2)n1 ZINC001241001925 1130559077 /nfs/dbraw/zinc/55/90/77/1130559077.db2.gz MKJGRELNFPBMIK-UHFFFAOYSA-N 0 1 264.284 3.642 20 0 CHADMN Cc1ccc(C(=O)[O-])cc1-c1ccc([C@@H]2CC[N@H+](C)C2)cc1 ZINC001241005458 1130562329 /nfs/dbraw/zinc/56/23/29/1130562329.db2.gz ONICBFQPTRIXGW-QGZVFWFLSA-N 0 1 295.382 3.779 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2cc(C)sc2C)n(C)n1 ZINC000793523550 1130562650 /nfs/dbraw/zinc/56/26/50/1130562650.db2.gz IWWYRMMVSSPVRD-VXGBXAGGSA-N 0 1 277.437 3.819 20 0 CHADMN Oc1ccccc1-c1ncc(F)c(Oc2ccccc2)n1 ZINC001241009326 1130562910 /nfs/dbraw/zinc/56/29/10/1130562910.db2.gz SWCOQHAPWIBJOZ-UHFFFAOYSA-N 0 1 282.274 3.781 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCc3c2cccc3Cl)n(C)n1 ZINC000793526179 1130563332 /nfs/dbraw/zinc/56/33/32/1130563332.db2.gz KOTFKULYMIAFRQ-ABAIWWIYSA-N 0 1 289.810 3.720 20 0 CHADMN CSc1cc(F)cc(-c2cccn3cncc23)c1 ZINC001243562406 1130564450 /nfs/dbraw/zinc/56/44/50/1130564450.db2.gz MNRCYGRFMNZQNV-UHFFFAOYSA-N 0 1 258.321 3.862 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2cc3ccccc3o2)n(C)n1 ZINC000793555096 1130570031 /nfs/dbraw/zinc/57/00/31/1130570031.db2.gz AGCVOSHBDOZWJX-STQMWFEESA-N 0 1 283.375 3.887 20 0 CHADMN CCOc1cc(F)cc(-c2cc3nc[nH]c3cc2OC)c1 ZINC001241025811 1130571637 /nfs/dbraw/zinc/57/16/37/1130571637.db2.gz ULNVRSFHZYZVQB-UHFFFAOYSA-N 0 1 286.306 3.776 20 0 CHADMN Cc1cc([C@H](C)NCc2ccccc2C(F)(F)F)n(C)n1 ZINC000793531247 1130572057 /nfs/dbraw/zinc/57/20/57/1130572057.db2.gz ZQGKOTDNQUESQV-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN CC(C)(C)N1CC(Oc2cccc3cc(Cl)cnc32)C1 ZINC001233995037 1130595606 /nfs/dbraw/zinc/59/56/06/1130595606.db2.gz ZPRHFKGTFLZHML-UHFFFAOYSA-N 0 1 290.794 3.750 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cn1cc(C)cnc1=S ZINC000758338962 1130606120 /nfs/dbraw/zinc/60/61/20/1130606120.db2.gz GVUAIOUSTFDFQG-UONOGXRCSA-N 0 1 279.453 3.779 20 0 CHADMN CN(C)c1ccnc(Cl)c1CN1CCC[C@@](C)(F)CC1 ZINC001234097739 1130608086 /nfs/dbraw/zinc/60/80/86/1130608086.db2.gz YYBWFAKVIUMBKA-OAHLLOKOSA-N 0 1 299.821 3.515 20 0 CHADMN C[C@@H](NCc1cscc1C(F)(F)F)c1ccc[nH]1 ZINC000811485534 1130611740 /nfs/dbraw/zinc/61/17/40/1130611740.db2.gz OYPRRILZABCVFI-MRVPVSSYSA-N 0 1 274.311 3.946 20 0 CHADMN Cc1cn[nH]c1CN(C)c1ccc(C(C)(C)C)cc1 ZINC000811488142 1130613349 /nfs/dbraw/zinc/61/33/49/1130613349.db2.gz LXSIOISVGHLZSY-UHFFFAOYSA-N 0 1 257.381 3.652 20 0 CHADMN C[C@@H](C[N@H+]1CCc2ccccc2[C@@H]1C)C(F)(F)F ZINC000441157211 1130635836 /nfs/dbraw/zinc/63/58/36/1130635836.db2.gz OYMXADIKTJHHKE-QWRGUYRKSA-N 0 1 257.299 3.804 20 0 CHADMN CC(C)=CCC[C@H](C)CC(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC001277850783 1130640024 /nfs/dbraw/zinc/64/00/24/1130640024.db2.gz YEZIYRVLEXWKTI-YLFCFFPRSA-N 0 1 294.483 3.699 20 0 CHADMN CCS[C@H]1CCCC[C@H]1NCc1nc(Cl)cs1 ZINC000759188469 1130642376 /nfs/dbraw/zinc/64/23/76/1130642376.db2.gz AVRRRHKMMBOCBM-ZJUUUORDSA-N 0 1 290.885 3.950 20 0 CHADMN CC(C)(C)C1=CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000759264132 1130646911 /nfs/dbraw/zinc/64/69/11/1130646911.db2.gz RUTXTKQEPMWLJU-MRXNPFEDSA-N 0 1 295.373 3.676 20 0 CHADMN CC1(C)CN(C[C@@H](O)c2ccc(F)cc2Cl)[C@@H]1C1CC1 ZINC000811821640 1130650330 /nfs/dbraw/zinc/65/03/30/1130650330.db2.gz LPUZFKDNCNVVFP-HUUCEWRRSA-N 0 1 297.801 3.633 20 0 CHADMN Cc1nc(C)c(C[N@H+]2CCCC[C@H]2c2ccccc2)[nH]1 ZINC001234602014 1130660297 /nfs/dbraw/zinc/66/02/97/1130660297.db2.gz VMIBISWZZQGIGY-KRWDZBQOSA-N 0 1 269.392 3.754 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNC[C@H]2CC2(Cl)Cl)o1 ZINC000759646925 1130667237 /nfs/dbraw/zinc/66/72/37/1130667237.db2.gz RBHRXNRYGZVEIS-KKZNHRDASA-N 0 1 274.191 3.686 20 0 CHADMN CC/C=C(\C)C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001133189886 1130671454 /nfs/dbraw/zinc/67/14/54/1130671454.db2.gz HUYWKSGTEZRLKT-XBXARRHUSA-N 0 1 263.728 3.511 20 0 CHADMN O=C(Nc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CCC[C@H](F)C1 ZINC001133191209 1130672482 /nfs/dbraw/zinc/67/24/82/1130672482.db2.gz YLJXFGUUQDWOGM-SCZZXKLOSA-N 0 1 295.745 3.683 20 0 CHADMN C[C@H](N[C@@H]1CCc2cc(F)cc(F)c2C1)c1cscn1 ZINC001170666914 1130672860 /nfs/dbraw/zinc/67/28/60/1130672860.db2.gz RNHXIPOBBJILAS-JOYOIKCWSA-N 0 1 294.370 3.629 20 0 CHADMN Cc1cccc(C2=CCN(Cc3ccoc3)CC2)c1 ZINC000780780406 1130677535 /nfs/dbraw/zinc/67/75/35/1130677535.db2.gz QBHSSKUDWCDMMJ-UHFFFAOYSA-N 0 1 253.345 3.877 20 0 CHADMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C[C@@H]1CC1(Cl)Cl ZINC000780384017 1130679699 /nfs/dbraw/zinc/67/96/99/1130679699.db2.gz FFVZRHORXIBRET-HLTSFMKQSA-N 0 1 290.156 3.843 20 0 CHADMN c1cc(-c2nc(CNC[C@H]3CCC=CO3)cs2)cs1 ZINC000780566090 1130684889 /nfs/dbraw/zinc/68/48/89/1130684889.db2.gz JPFHPCNANBGYPP-CYBMUJFWSA-N 0 1 292.429 3.654 20 0 CHADMN CCCCC[C@@](C)(CC)C(=O)NCc1cc(CC)[nH]n1 ZINC000780672803 1130688168 /nfs/dbraw/zinc/68/81/68/1130688168.db2.gz HGJXKNYOCALKIT-MRXNPFEDSA-N 0 1 279.428 3.585 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccccc1N(C)CC ZINC000780722597 1130689160 /nfs/dbraw/zinc/68/91/60/1130689160.db2.gz CFKBUGQFSMYNEL-HNNXBMFYSA-N 0 1 297.446 3.951 20 0 CHADMN CC[N@H+]1CC[C@H](Oc2cc(Cl)cc(Cl)c2F)C1 ZINC001234931861 1130693395 /nfs/dbraw/zinc/69/33/95/1130693395.db2.gz YGZAEZSNKFKDDQ-VIFPVBQESA-N 0 1 278.154 3.606 20 0 CHADMN CCN1CC[C@H](Oc2cc(Cl)cc(Cl)c2F)C1 ZINC001234931861 1130693398 /nfs/dbraw/zinc/69/33/98/1130693398.db2.gz YGZAEZSNKFKDDQ-VIFPVBQESA-N 0 1 278.154 3.606 20 0 CHADMN Fc1ccccc1-c1cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c[nH]1 ZINC001235032696 1130702329 /nfs/dbraw/zinc/70/23/29/1130702329.db2.gz QLDIFCKNGQWGOG-NOLJZWGESA-N 0 1 288.341 3.611 20 0 CHADMN CC(C)[C@H](C(=O)NOC1CCC1)c1cccc(Cl)c1 ZINC000812790767 1130714372 /nfs/dbraw/zinc/71/43/72/1130714372.db2.gz HGNUIOYOGRPYFY-AWEZNQCLSA-N 0 1 281.783 3.680 20 0 CHADMN COC(CN(C)Cc1cc(-c2ccsc2)cs1)OC ZINC001235189729 1130720931 /nfs/dbraw/zinc/72/09/31/1130720931.db2.gz UGHDKNDLWXVYHY-UHFFFAOYSA-N 0 1 297.445 3.527 20 0 CHADMN Cc1cc(F)c(CN2CC[C@@H]3CCC[C@H]3C2)c(F)c1 ZINC001235190849 1130721092 /nfs/dbraw/zinc/72/10/92/1130721092.db2.gz SQVIDRSCUMECHY-STQMWFEESA-N 0 1 265.347 3.895 20 0 CHADMN Cc1cc(F)c(CN(C)CCc2ccccc2)c(F)c1 ZINC001235195155 1130722026 /nfs/dbraw/zinc/72/20/26/1130722026.db2.gz ZDFCNQFDNHKKLD-UHFFFAOYSA-N 0 1 275.342 3.948 20 0 CHADMN C[C@@H]1CCN([C@@H]2CCc3cc(F)cc(F)c3C2)C[C@H]1F ZINC001170689825 1130724061 /nfs/dbraw/zinc/72/40/61/1130724061.db2.gz NUAAYCGZAISNQO-CKUKBARFSA-N 0 1 283.337 3.502 20 0 CHADMN CCc1cccc(CN2CCC[C@H]2c2ccc(C)nc2)n1 ZINC001235264633 1130729690 /nfs/dbraw/zinc/72/96/90/1130729690.db2.gz OSBSDGWNKMNOEF-SFHVURJKSA-N 0 1 281.403 3.685 20 0 CHADMN CC(C)[C@@H](NCc1ccnn1C)c1ccc(Cl)cc1F ZINC000781643224 1130732287 /nfs/dbraw/zinc/73/22/87/1130732287.db2.gz YDGVLJOFTZUDTN-OAHLLOKOSA-N 0 1 295.789 3.700 20 0 CHADMN Cc1cc(OC(C)C)ncc1CN1CCC(F)(F)[C@H](C)C1 ZINC001235416158 1130740028 /nfs/dbraw/zinc/74/00/28/1130740028.db2.gz BWGXMJBKSPFQIW-CYBMUJFWSA-N 0 1 298.377 3.654 20 0 CHADMN CCC1CCN(Cc2cc(F)c(F)c(OC)c2)CC1 ZINC001235435646 1130743015 /nfs/dbraw/zinc/74/30/15/1130743015.db2.gz ZVUFXHDKXDKLDE-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN CCOc1cc(C[N@H+]2CC[C@H](C)C2)ccc1Br ZINC001235437494 1130743485 /nfs/dbraw/zinc/74/34/85/1130743485.db2.gz HLCYRYQQVAHXOJ-NSHDSACASA-N 0 1 298.224 3.690 20 0 CHADMN CCOc1cc(CN2CC[C@H](C)C2)ccc1Br ZINC001235437494 1130743488 /nfs/dbraw/zinc/74/34/88/1130743488.db2.gz HLCYRYQQVAHXOJ-NSHDSACASA-N 0 1 298.224 3.690 20 0 CHADMN COc1cc(CN2CCC(C)(C)CC2)cc(F)c1F ZINC001235449592 1130746129 /nfs/dbraw/zinc/74/61/29/1130746129.db2.gz VJUJDILCVXOXQB-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN OCC[C@@H](NCc1ccc(Cl)cc1F)c1cccs1 ZINC000781916872 1130746536 /nfs/dbraw/zinc/74/65/36/1130746536.db2.gz KQONJMDLKZERQT-CYBMUJFWSA-N 0 1 299.798 3.754 20 0 CHADMN Fc1cncc(CN2CC[C@H](c3ccccc3)C2)c1Cl ZINC001235487475 1130748557 /nfs/dbraw/zinc/74/85/57/1130748557.db2.gz DAKZRLNVTZUZNS-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1nonc1CNC(C)(C)CC1CCCCCC1 ZINC000782016107 1130752503 /nfs/dbraw/zinc/75/25/03/1130752503.db2.gz ZFCWWGUDSMEEBH-UHFFFAOYSA-N 0 1 265.401 3.607 20 0 CHADMN Cc1nonc1CN(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000747843630 1130752786 /nfs/dbraw/zinc/75/27/86/1130752786.db2.gz OTDYFVVINZFOGM-ZYHUDNBSSA-N 0 1 293.798 3.655 20 0 CHADMN C[C@H]1CC[C@]2(CCN(Cc3cnc(Cl)s3)C2)C1 ZINC000782106752 1130755737 /nfs/dbraw/zinc/75/57/37/1130755737.db2.gz JMHZIXVCKIAZGF-GWCFXTLKSA-N 0 1 270.829 3.809 20 0 CHADMN Cc1ccnc(CN(C)C[C@H]2CC2(C)C)c1Cl ZINC001235589762 1130757158 /nfs/dbraw/zinc/75/71/58/1130757158.db2.gz ZJOSGQORSKTIKW-LLVKDONJSA-N 0 1 252.789 3.521 20 0 CHADMN Cc1cncc(Br)c1CN1CCCCC12CC2 ZINC001235640473 1130759295 /nfs/dbraw/zinc/75/92/95/1130759295.db2.gz AKMZCCGBRONXDU-UHFFFAOYSA-N 0 1 295.224 3.671 20 0 CHADMN O=C(C1CCN([C@H]2CCc3ccccc32)CC1)C(F)(F)F ZINC000782194674 1130761359 /nfs/dbraw/zinc/76/13/59/1130761359.db2.gz SPYPMMBZCNATHQ-AWEZNQCLSA-N 0 1 297.320 3.517 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1nc2cc(F)ccc2[nH]1 ZINC001235698767 1130769342 /nfs/dbraw/zinc/76/93/42/1130769342.db2.gz YBPBVOUFSIOTFG-CYBMUJFWSA-N 0 1 275.371 3.857 20 0 CHADMN COc1cc(-c2ccc3nc[nH]c3c2C)c(Cl)cn1 ZINC001245040122 1130769528 /nfs/dbraw/zinc/76/95/28/1130769528.db2.gz SAEQVXIMTAPOJK-UHFFFAOYSA-N 0 1 273.723 3.595 20 0 CHADMN CN(Cc1ccc2c(c1)NCCC2)Cc1ccccc1F ZINC001235691234 1130770415 /nfs/dbraw/zinc/77/04/15/1130770415.db2.gz HIJYTFSNZSZTKE-UHFFFAOYSA-N 0 1 284.378 3.816 20 0 CHADMN CO[C@H](C)C[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000782472302 1130778731 /nfs/dbraw/zinc/77/87/31/1130778731.db2.gz OBBQJEOGXNVHLK-RISCZKNCSA-N 0 1 287.325 3.877 20 0 CHADMN CC(C)N(Cc1c(Cl)n(C)nc1C(F)(F)F)C(C)C ZINC000782494803 1130780847 /nfs/dbraw/zinc/78/08/47/1130780847.db2.gz XWZQXIXKTFIJQE-UHFFFAOYSA-N 0 1 297.752 3.711 20 0 CHADMN Fc1cc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)ccc1Cl ZINC001137650022 1130791598 /nfs/dbraw/zinc/79/15/98/1130791598.db2.gz ZZBSLZGPXJMCAW-PHIMTYICSA-N 0 1 289.728 3.956 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1cc(Cl)nc(Cl)c1 ZINC000783004046 1130794609 /nfs/dbraw/zinc/79/46/09/1130794609.db2.gz XPGXIMPADBMJKY-JTQLQIEISA-N 0 1 296.201 3.943 20 0 CHADMN C[C@@H]1CC[C@H]1N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000783259390 1130807366 /nfs/dbraw/zinc/80/73/66/1130807366.db2.gz CBXAGDKMYXYIPU-VMGRFDJRSA-N 0 1 270.351 3.698 20 0 CHADMN Clc1ccc2c(c1)CCN(Cc1ccc3c(c1)NCC3)C2 ZINC001235947161 1130813538 /nfs/dbraw/zinc/81/35/38/1130813538.db2.gz XLTQIYGHTFHABC-UHFFFAOYSA-N 0 1 298.817 3.866 20 0 CHADMN Cc1ccc([C@H](C)Nc2nc(C)cc(N(C)C)n2)c(C)c1 ZINC001170723560 1130815315 /nfs/dbraw/zinc/81/53/15/1130815315.db2.gz TXPSJPACRCGMIZ-AWEZNQCLSA-N 0 1 284.407 3.641 20 0 CHADMN Clc1ccc(-c2cc3[nH]cnc3cn2)c(Cl)c1 ZINC001235963398 1130818240 /nfs/dbraw/zinc/81/82/40/1130818240.db2.gz QUVXHNMLWFVIDC-UHFFFAOYSA-N 0 1 264.115 3.932 20 0 CHADMN Cc1nc2ccccc2c(-c2c(F)cc(F)c(O)c2F)n1 ZINC001235987349 1130822897 /nfs/dbraw/zinc/82/28/97/1130822897.db2.gz XBJQREPAJLRTSX-UHFFFAOYSA-N 0 1 290.244 3.728 20 0 CHADMN Nc1ccc(F)c(CN2CCC3(CC[C@@H](F)C3)CC2)c1F ZINC001235984063 1130823351 /nfs/dbraw/zinc/82/33/51/1130823351.db2.gz BDDDAUFEWYARBZ-LLVKDONJSA-N 0 1 298.352 3.651 20 0 CHADMN CSc1cc(-c2c(F)cc(F)c(O)c2F)ncc1F ZINC001235983869 1130823601 /nfs/dbraw/zinc/82/36/01/1130823601.db2.gz HVMMIWJLFWRRAU-UHFFFAOYSA-N 0 1 289.253 3.733 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccnc(C3CCCC3)n2)c1F ZINC001235995588 1130825380 /nfs/dbraw/zinc/82/53/80/1130825380.db2.gz ZRTKFWHSTNJNOJ-UHFFFAOYSA-N 0 1 294.276 3.924 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc(C(F)(F)F)nc2)c1F ZINC001235995923 1130825756 /nfs/dbraw/zinc/82/57/56/1130825756.db2.gz RDQOTGSXTJNJNM-UHFFFAOYSA-N 0 1 293.166 3.890 20 0 CHADMN CCOC(=O)c1cccc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235997237 1130826304 /nfs/dbraw/zinc/82/63/04/1130826304.db2.gz CHVUTINUBRHSSD-UHFFFAOYSA-N 0 1 296.244 3.653 20 0 CHADMN CC(=O)Nc1ccc(-c2c(F)cc(F)c(O)c2F)c(C)c1 ZINC001235996874 1130827048 /nfs/dbraw/zinc/82/70/48/1130827048.db2.gz LYJGGZPZGHPFEY-UHFFFAOYSA-N 0 1 295.260 3.743 20 0 CHADMN CCCOc1ncc(-c2c(F)cc(F)c(O)c2F)cc1C ZINC001236002966 1130829540 /nfs/dbraw/zinc/82/95/40/1130829540.db2.gz WTDWMAIDZVOMGU-UHFFFAOYSA-N 0 1 297.276 3.969 20 0 CHADMN Cc1cnc(OC(C)C)c(-c2c(F)cc(F)c(O)c2F)c1 ZINC001236002064 1130829589 /nfs/dbraw/zinc/82/95/89/1130829589.db2.gz JCZNBMSORUJFMF-UHFFFAOYSA-N 0 1 297.276 3.967 20 0 CHADMN Nc1ccc2cc(-c3c(F)cc(F)c(O)c3F)ccc2n1 ZINC001236002639 1130829969 /nfs/dbraw/zinc/82/99/69/1130829969.db2.gz QPSPYXXOPRYPEM-UHFFFAOYSA-N 0 1 290.244 3.607 20 0 CHADMN Clc1nc2ccccn2c1CN1CCC(C2CC2)CC1 ZINC000814172669 1130833369 /nfs/dbraw/zinc/83/33/69/1130833369.db2.gz YHEJXYYRDJJTEX-UHFFFAOYSA-N 0 1 289.810 3.610 20 0 CHADMN Cc1cccc([C@@H](N[C@@H]2CCCSC2)c2ccccn2)c1 ZINC000783525748 1130835118 /nfs/dbraw/zinc/83/51/18/1130835118.db2.gz PDHAXJHDRVOFKB-SJLPKXTDSA-N 0 1 298.455 3.965 20 0 CHADMN Cc1cccc([C@H](C)OC(=O)c2c(F)cc(O)cc2F)c1 ZINC000783715881 1130851501 /nfs/dbraw/zinc/85/15/01/1130851501.db2.gz HUGIAMVWSQICDU-JTQLQIEISA-N 0 1 292.281 3.897 20 0 CHADMN Cc1ccccc1[C@H](O)CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000814251126 1130855331 /nfs/dbraw/zinc/85/53/31/1130855331.db2.gz DQIQIVFDPVGGNR-QZTJIDSGSA-N 0 1 296.414 3.507 20 0 CHADMN Cc1ccccc1[C@H](O)CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000814251121 1130856203 /nfs/dbraw/zinc/85/62/03/1130856203.db2.gz DQIQIVFDPVGGNR-MSOLQXFVSA-N 0 1 296.414 3.507 20 0 CHADMN CC(C)[C@@H]1N(C[C@H](O)c2ccc(F)cc2Cl)CC1(C)C ZINC000814251837 1130857403 /nfs/dbraw/zinc/85/74/03/1130857403.db2.gz UGRBZDNELFWZHG-GJZGRUSLSA-N 0 1 299.817 3.879 20 0 CHADMN c1cc(C2CCCCC2)ccc1-c1ncnc2c1CNC2 ZINC001236098485 1130860446 /nfs/dbraw/zinc/86/04/46/1130860446.db2.gz TUDNCTXLEOMEEN-UHFFFAOYSA-N 0 1 279.387 3.795 20 0 CHADMN C[C@@H](CF)NCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000814301136 1130863560 /nfs/dbraw/zinc/86/35/60/1130863560.db2.gz XSHXRTBVVKTTNM-ZETCQYMHSA-N 0 1 269.669 3.806 20 0 CHADMN CCCOc1ccccc1CN1CCc2cc(N)ccc2C1 ZINC001236104908 1130865204 /nfs/dbraw/zinc/86/52/04/1130865204.db2.gz IHRIDIPXWQIXRH-UHFFFAOYSA-N 0 1 296.414 3.616 20 0 CHADMN Cc1ccc(CN2CCc3cc(N)ccc3C2)c(Cl)c1 ZINC001236105597 1130865318 /nfs/dbraw/zinc/86/53/18/1130865318.db2.gz QNWYMQZBWWCYQO-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN Nc1ccc2c(c1)CCN(Cc1c3ccoc3ccc1F)C2 ZINC001236108176 1130865792 /nfs/dbraw/zinc/86/57/92/1130865792.db2.gz JPAXGOWRFUBOSM-UHFFFAOYSA-N 0 1 296.345 3.712 20 0 CHADMN CC(C)Oc1ncccc1-c1cccc(CN(C)C)c1F ZINC001236108118 1130866255 /nfs/dbraw/zinc/86/62/55/1130866255.db2.gz BRLXEPQXLCJGMJ-UHFFFAOYSA-N 0 1 288.366 3.737 20 0 CHADMN CCC/C(C)=C/C(=O)Nc1ccccc1-c1cn[nH]c1 ZINC000784472793 1130905129 /nfs/dbraw/zinc/90/51/29/1130905129.db2.gz WILISKJPQQUKDA-FMIVXFBMSA-N 0 1 269.348 3.762 20 0 CHADMN CC(C)c1cnc(CN[C@@H](C)COc2ccccc2)s1 ZINC000784519580 1130908895 /nfs/dbraw/zinc/90/88/95/1130908895.db2.gz VFNJSGNXDTVJHW-ZDUSSCGKSA-N 0 1 290.432 3.824 20 0 CHADMN CSc1cc(C)cc(C[N@H+]2CCc3c(N)cccc3C2)c1 ZINC001236369056 1130921367 /nfs/dbraw/zinc/92/13/67/1130921367.db2.gz YHOSQOYCPOZJFO-UHFFFAOYSA-N 0 1 298.455 3.857 20 0 CHADMN Cc1ccc(F)c(-c2ccc(CN(C)C)c(F)c2)c1O ZINC001236416797 1130933243 /nfs/dbraw/zinc/93/32/43/1130933243.db2.gz XJHULJZVSDQOFF-UHFFFAOYSA-N 0 1 277.314 3.707 20 0 CHADMN FC(F)COc1ccccc1N[C@@H]1CCCc2[nH]ncc21 ZINC000796886670 1130942712 /nfs/dbraw/zinc/94/27/12/1130942712.db2.gz AZBFQDMJDFFRRT-LLVKDONJSA-N 0 1 293.317 3.543 20 0 CHADMN CC[C@H](C)n1ncc(N[C@H]2CCCc3[nH]ncc32)c1C1CC1 ZINC000796898828 1130944899 /nfs/dbraw/zinc/94/48/99/1130944899.db2.gz PATLZUQOUYCEOQ-FZMZJTMJSA-N 0 1 299.422 3.944 20 0 CHADMN CSc1cccc(N[C@@H]2CCCc3[nH]ncc32)c1C ZINC000796899243 1130944913 /nfs/dbraw/zinc/94/49/13/1130944913.db2.gz QILVPQJOWVGOAD-CYBMUJFWSA-N 0 1 273.405 3.930 20 0 CHADMN CCc1ccc(CN2Cc3ccccc3[C@H](C)C2)nc1 ZINC000815012442 1130950728 /nfs/dbraw/zinc/95/07/28/1130950728.db2.gz IEJBSELPASOTCR-CQSZACIVSA-N 0 1 266.388 3.763 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H](C)[C@@H](O)c2ccc(C)cc2)cs1 ZINC000797056347 1130957171 /nfs/dbraw/zinc/95/71/71/1130957171.db2.gz BTIWEYQLHXGWPB-BFQNTYOBSA-N 0 1 290.432 3.533 20 0 CHADMN CCOc1ncc(Cl)cc1-c1cncc2cc[nH]c21 ZINC001236497995 1130958239 /nfs/dbraw/zinc/95/82/39/1130958239.db2.gz RHFOEPCBNMSCOY-UHFFFAOYSA-N 0 1 273.723 3.677 20 0 CHADMN C[C@@H](COc1ccccc1)[NH2+]Cc1cccc([O-])c1Cl ZINC000815120442 1130958752 /nfs/dbraw/zinc/95/87/52/1130958752.db2.gz ILIRXNZHLMNDCI-LBPRGKRZSA-N 0 1 291.778 3.603 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cnn(C)c1Cl)C1CC1 ZINC000815126263 1130959576 /nfs/dbraw/zinc/95/95/76/1130959576.db2.gz JRBXNDRGGQGUII-HNNXBMFYSA-N 0 1 289.810 3.623 20 0 CHADMN [O-]c1cccc(C[NH2+]CC2Cc3ccccc3C2)c1Cl ZINC000815124890 1130960107 /nfs/dbraw/zinc/96/01/07/1130960107.db2.gz NWOWFBJPMMJGNS-UHFFFAOYSA-N 0 1 287.790 3.550 20 0 CHADMN Cc1cc2[nH]cnc2cc1-c1cncc(OC(C)C)c1 ZINC001236519566 1130962763 /nfs/dbraw/zinc/96/27/63/1130962763.db2.gz XOYMPNJQXOLCNY-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN C[C@H](Cc1cccc(F)c1)N[C@H](C)c1c(F)cncc1F ZINC000797129258 1130964112 /nfs/dbraw/zinc/96/41/12/1130964112.db2.gz VKLZQXLXLRSNGN-GHMZBOCLSA-N 0 1 294.320 3.781 20 0 CHADMN CC(F)(F)c1ccc(CNCc2ccoc2)cc1 ZINC000815141509 1130966366 /nfs/dbraw/zinc/96/63/66/1130966366.db2.gz AWHQYTBBOJPVQE-UHFFFAOYSA-N 0 1 251.276 3.681 20 0 CHADMN Cc1c(F)cc(Nc2cc([C@H]3CCCCN3)no2)cc1F ZINC001159312936 1130970603 /nfs/dbraw/zinc/97/06/03/1130970603.db2.gz HIQVBQJBYWURPD-CYBMUJFWSA-N 0 1 293.317 3.819 20 0 CHADMN Cc1c(Br)cccc1C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001236604622 1130982551 /nfs/dbraw/zinc/98/25/51/1130982551.db2.gz FYVRWQLPXWKHMQ-BETUJISGSA-N 0 1 294.236 3.845 20 0 CHADMN Cc1c(Br)cccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001236609593 1130983234 /nfs/dbraw/zinc/98/32/34/1130983234.db2.gz VRAFUYZJPRXHNL-RISCZKNCSA-N 0 1 280.209 3.742 20 0 CHADMN C[N@@H+](Cc1cc(F)cc2c1OCCC2)CC(C)(C)C ZINC001236624820 1130985450 /nfs/dbraw/zinc/98/54/50/1130985450.db2.gz YOZQCOIVRDSQBB-UHFFFAOYSA-N 0 1 265.372 3.629 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C)n1 ZINC001236642376 1130987058 /nfs/dbraw/zinc/98/70/58/1130987058.db2.gz FIPMWNGAXGLELH-CQSZACIVSA-N 0 1 252.789 3.808 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(Cl)cc(C)n1 ZINC001236642376 1130987063 /nfs/dbraw/zinc/98/70/63/1130987063.db2.gz FIPMWNGAXGLELH-CQSZACIVSA-N 0 1 252.789 3.808 20 0 CHADMN Cc1cc(Cl)cc(CN2CCC3(CC(F)C3)CC2)n1 ZINC001236637799 1130987742 /nfs/dbraw/zinc/98/77/42/1130987742.db2.gz BDUMOWDQRZCAGD-UHFFFAOYSA-N 0 1 282.790 3.758 20 0 CHADMN COc1cccc(Br)c1CN1CCC(C)CC1 ZINC001236669847 1130990496 /nfs/dbraw/zinc/99/04/96/1130990496.db2.gz KMLMABYSMVDVAH-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN COc1cccc(Br)c1CN1CCC[C@@H](C)C1 ZINC001236669077 1130990757 /nfs/dbraw/zinc/99/07/57/1130990757.db2.gz DTUOAUOZZVCALN-LLVKDONJSA-N 0 1 298.224 3.690 20 0 CHADMN COc1cccc(Br)c1CN1CCCC[C@@H]1C ZINC001236670251 1130991269 /nfs/dbraw/zinc/99/12/69/1130991269.db2.gz QFSLGDIDRZLBKY-NSHDSACASA-N 0 1 298.224 3.832 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1cccc3sccc31)C2 ZINC001236688363 1130994831 /nfs/dbraw/zinc/99/48/31/1130994831.db2.gz AXHNLXFHUWFRBO-BBRMVZONSA-N 0 1 273.401 3.655 20 0 CHADMN CC[C@@H]1CCCN(Cc2ccc(Br)c(O)c2)C1 ZINC001236697648 1130995652 /nfs/dbraw/zinc/99/56/52/1130995652.db2.gz GTQWESPSYYZNHQ-LLVKDONJSA-N 0 1 298.224 3.777 20 0 CHADMN [O-]c1cc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)ccc1F ZINC001236704744 1130996196 /nfs/dbraw/zinc/99/61/96/1130996196.db2.gz BADGZQWAQVHJBR-INIZCTEOSA-N 0 1 285.362 3.911 20 0 CHADMN [O-]c1cc(C[N@H+]2CCC[C@H](c3ccccc3)C2)ccc1F ZINC001236704744 1130996200 /nfs/dbraw/zinc/99/62/00/1130996200.db2.gz BADGZQWAQVHJBR-INIZCTEOSA-N 0 1 285.362 3.911 20 0 CHADMN Cc1cc(CN[C@H](C)c2cnn(C(C)C)c2)cc(Cl)n1 ZINC000797600245 1130996593 /nfs/dbraw/zinc/99/65/93/1130996593.db2.gz NMSMILNJICBMCV-GFCCVEGCSA-N 0 1 292.814 3.672 20 0 CHADMN Cc1c(F)ccc(CN2C[C@@H]3CCCC(=O)[C@@H]3C2)c1Cl ZINC001236712934 1130997301 /nfs/dbraw/zinc/99/73/01/1130997301.db2.gz CAGGQUZGEKTGRV-WCQYABFASA-N 0 1 295.785 3.589 20 0 CHADMN Oc1cc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)ccc1F ZINC001236711692 1130997910 /nfs/dbraw/zinc/99/79/10/1130997910.db2.gz UFSFLZFTQKQUBJ-AWEZNQCLSA-N 0 1 289.325 3.660 20 0 CHADMN Cc1c(F)ccc(CN2CC[C@@](C)(CF)C2)c1Cl ZINC001236707595 1130998071 /nfs/dbraw/zinc/99/80/71/1130998071.db2.gz FRJDHIMWZDSESE-AWEZNQCLSA-N 0 1 273.754 3.969 20 0 CHADMN Oc1ccc(CN2CCCCCC2)c(OC(F)(F)F)c1 ZINC001236723013 1130999362 /nfs/dbraw/zinc/99/93/62/1130999362.db2.gz XKNWNKFWQUXMHA-UHFFFAOYSA-N 0 1 289.297 3.667 20 0 CHADMN Cc1noc(C)c1CN[C@@H](C)c1ccc(F)cc1C ZINC000815565414 1131000766 /nfs/dbraw/zinc/00/07/66/1131000766.db2.gz NKXHBFUIDMQYND-JTQLQIEISA-N 0 1 262.328 3.590 20 0 CHADMN c1cc2cccc(CN3CCc4occc4C3)c2o1 ZINC001236734331 1131000989 /nfs/dbraw/zinc/00/09/89/1131000989.db2.gz BVNVKWXLNTZCGJ-UHFFFAOYSA-N 0 1 253.301 3.584 20 0 CHADMN CCc1cc(CN[C@@H](C)c2cccc(C3CC3)c2)[nH]n1 ZINC000815580662 1131002812 /nfs/dbraw/zinc/00/28/12/1131002812.db2.gz OEHRJMSAWGSKHX-LBPRGKRZSA-N 0 1 269.392 3.700 20 0 CHADMN COc1cccc2c1CCN(Cc1cccc3occc31)C2 ZINC001236737619 1131003299 /nfs/dbraw/zinc/00/32/99/1131003299.db2.gz HJRXXOFRYYOPML-UHFFFAOYSA-N 0 1 293.366 4.000 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(Cl)cc(C(=O)OC)c2)C1 ZINC001236775376 1131005349 /nfs/dbraw/zinc/00/53/49/1131005349.db2.gz KXGAILKDKALICI-LBPRGKRZSA-N 0 1 295.810 3.749 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000815599601 1131007447 /nfs/dbraw/zinc/00/74/47/1131007447.db2.gz WURQPLDPVFVJAE-NEPJUHHUSA-N 0 1 290.386 3.787 20 0 CHADMN COc1cc(CN2CCC[C@H]3CCC[C@@H]32)c(F)cc1F ZINC001236823505 1131013483 /nfs/dbraw/zinc/01/34/83/1131013483.db2.gz AMPULUAZIAFFOD-ABAIWWIYSA-N 0 1 281.346 3.738 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1CCc2cc(C)ccc21 ZINC000815641472 1131013766 /nfs/dbraw/zinc/01/37/66/1131013766.db2.gz YRLKQTBXDRVMSM-QGZVFWFLSA-N 0 1 270.376 3.631 20 0 CHADMN CC(C)C1CC(NCc2c(F)cc(F)cc2F)C1 ZINC000815650152 1131017483 /nfs/dbraw/zinc/01/74/83/1131017483.db2.gz KBVTUDSMVZGGEE-UHFFFAOYSA-N 0 1 257.299 3.628 20 0 CHADMN C[C@@H]1CCCN1Cc1nc2ccccc2cc1Cl ZINC001236870841 1131026533 /nfs/dbraw/zinc/02/65/33/1131026533.db2.gz MSSXIMJWEZIKAZ-LLVKDONJSA-N 0 1 260.768 3.873 20 0 CHADMN CN(Cc1nc2ccccc2cc1Cl)CC1CC1 ZINC001236870901 1131027019 /nfs/dbraw/zinc/02/70/19/1131027019.db2.gz OGOQPBJCUQXIDC-UHFFFAOYSA-N 0 1 260.768 3.730 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]2c2cnccn2)c2occc21 ZINC001236907135 1131030423 /nfs/dbraw/zinc/03/04/23/1131030423.db2.gz WLMJJNRVBJKTTJ-MRXNPFEDSA-N 0 1 297.333 3.699 20 0 CHADMN Cc1cccc(-c2ccc(CN3CCSCC3)cn2)c1C ZINC001236984884 1131032767 /nfs/dbraw/zinc/03/27/67/1131032767.db2.gz GIGJAQCBFMSKDZ-UHFFFAOYSA-N 0 1 298.455 3.914 20 0 CHADMN CSc1ccc([C@@H](C)NCc2ccc(F)nc2)cc1 ZINC000798504729 1131040284 /nfs/dbraw/zinc/04/02/84/1131040284.db2.gz QIOMTBWUVSPDAA-LLVKDONJSA-N 0 1 276.380 3.793 20 0 CHADMN CC(C)[C@@H](C(=O)O[C@@H](C)c1ccccc1Cl)N(C)C ZINC000798844442 1131051987 /nfs/dbraw/zinc/05/19/87/1131051987.db2.gz YRWINTLZXMPETF-FZMZJTMJSA-N 0 1 283.799 3.530 20 0 CHADMN CC(C)[C@@H](C(=O)O[C@H](C)c1ccccc1Cl)N(C)C ZINC000798844443 1131052557 /nfs/dbraw/zinc/05/25/57/1131052557.db2.gz YRWINTLZXMPETF-RISCZKNCSA-N 0 1 283.799 3.530 20 0 CHADMN COc1cccc2c(CN3CCC[C@@](C)(F)C3)ccnc12 ZINC001237113977 1131053790 /nfs/dbraw/zinc/05/37/90/1131053790.db2.gz SMQNFMWFJKSSRO-QGZVFWFLSA-N 0 1 288.366 3.567 20 0 CHADMN CN(Cc1sc(=O)[nH]c1Cl)[C@H]1CCc2ccccc21 ZINC001237154985 1131059885 /nfs/dbraw/zinc/05/98/85/1131059885.db2.gz OACNHQBXBFOTKZ-NSHDSACASA-N 0 1 294.807 3.621 20 0 CHADMN Cc1c(CN2CCC(C)(F)CC2)ccc(F)c1F ZINC001237153557 1131060416 /nfs/dbraw/zinc/06/04/16/1131060416.db2.gz IIMUMWVMVSKINB-UHFFFAOYSA-N 0 1 257.299 3.597 20 0 CHADMN CCC1(COC(=O)c2[nH]c(-c3ccccc3)nc2C)CC1 ZINC000816184484 1131061132 /nfs/dbraw/zinc/06/11/32/1131061132.db2.gz ZVVWXFXFGCMMEF-UHFFFAOYSA-N 0 1 284.359 3.732 20 0 CHADMN Fc1ccc(CN2CC[C@H](c3ccccn3)C2)c(Cl)c1 ZINC000798962392 1131064664 /nfs/dbraw/zinc/06/46/64/1131064664.db2.gz LUPYMZQKXOBRAB-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN Clc1cscc1CN1CC[C@H](c2ccccn2)C1 ZINC000798962663 1131064834 /nfs/dbraw/zinc/06/48/34/1131064834.db2.gz OMRQUBFYGMXAMV-NSHDSACASA-N 0 1 278.808 3.786 20 0 CHADMN Fc1ccc(Cl)cc1CN1CC[C@@H](c2ccccn2)C1 ZINC000798963579 1131065497 /nfs/dbraw/zinc/06/54/97/1131065497.db2.gz DKZLBXDDMFJCHF-GFCCVEGCSA-N 0 1 290.769 3.864 20 0 CHADMN Fc1ccc(CN2CC[C@H](c3ccccn3)C2)cc1Cl ZINC000798963858 1131066079 /nfs/dbraw/zinc/06/60/79/1131066079.db2.gz KDZYNLMMQPDKDR-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN C[N@H+](CCc1cccc(Cl)c1)Cc1occc1[S-] ZINC001237192212 1131068271 /nfs/dbraw/zinc/06/82/71/1131068271.db2.gz QLQXVRRHUFHHSO-UHFFFAOYSA-N 0 1 281.808 3.896 20 0 CHADMN C[N@@H+](CCc1cccc(Cl)c1)Cc1occc1[S-] ZINC001237192212 1131068278 /nfs/dbraw/zinc/06/82/78/1131068278.db2.gz QLQXVRRHUFHHSO-UHFFFAOYSA-N 0 1 281.808 3.896 20 0 CHADMN CC(C)[C@@H](NCc1cnc(Cl)cn1)c1ccc(F)cc1 ZINC000799127188 1131072744 /nfs/dbraw/zinc/07/27/44/1131072744.db2.gz QSSHIODJRZIBAA-OAHLLOKOSA-N 0 1 293.773 3.756 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@H](c2ccccn2)C1 ZINC000799191263 1131074053 /nfs/dbraw/zinc/07/40/53/1131074053.db2.gz KVAMSTXMGSSQLC-KGLIPLIRSA-N 0 1 299.418 3.918 20 0 CHADMN Cn1nccc1[C@@H]1CCCCN1Cc1ccc(CF)cc1 ZINC000799183345 1131074983 /nfs/dbraw/zinc/07/49/83/1131074983.db2.gz KYILWRYTLKDZGR-KRWDZBQOSA-N 0 1 287.382 3.617 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001237352124 1131088920 /nfs/dbraw/zinc/08/89/20/1131088920.db2.gz FRYPQPSQJQNTFD-OKILXGFUSA-N 0 1 277.795 3.653 20 0 CHADMN CCCCN(CCC)Cc1cnccc1Br ZINC001237381457 1131092251 /nfs/dbraw/zinc/09/22/51/1131092251.db2.gz GSRSBNGLFMBZJS-UHFFFAOYSA-N 0 1 285.229 3.856 20 0 CHADMN Cc1csc2c1ncnc2-c1cc(O)c(F)c(F)c1F ZINC001245635991 1131095677 /nfs/dbraw/zinc/09/56/77/1131095677.db2.gz YPESWBHULRAPBU-UHFFFAOYSA-N 0 1 296.273 3.790 20 0 CHADMN Cc1nc2cc(-c3cc(O)c(F)c(F)c3F)cnc2s1 ZINC001245637528 1131096966 /nfs/dbraw/zinc/09/69/66/1131096966.db2.gz PQVQGBNNWYNPLR-UHFFFAOYSA-N 0 1 296.273 3.790 20 0 CHADMN Cc1nc([C@H]2CCC[N@H+](Cc3cccc(C(C)C)c3)C2)no1 ZINC001237455921 1131099231 /nfs/dbraw/zinc/09/92/31/1131099231.db2.gz FTYRTYFADDSICA-KRWDZBQOSA-N 0 1 299.418 3.881 20 0 CHADMN CCN(CCc1ccccn1)Cc1cccc(O)c1Cl ZINC000816496046 1131100347 /nfs/dbraw/zinc/10/03/47/1131100347.db2.gz UNIGZBPGGDCIBE-UHFFFAOYSA-N 0 1 290.794 3.505 20 0 CHADMN COc1c(C)cccc1CN(C)Cc1cccc(F)c1 ZINC001237501536 1131106250 /nfs/dbraw/zinc/10/62/50/1131106250.db2.gz SPCKBVSXUWAHPM-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN COc1c(C)cccc1CN(C)Cc1cccs1 ZINC001237512050 1131107964 /nfs/dbraw/zinc/10/79/64/1131107964.db2.gz XEHGGIAYBRVWQY-UHFFFAOYSA-N 0 1 261.390 3.697 20 0 CHADMN c1cc2cc(CN3CC=C(c4ccccc4)CC3)ccn2n1 ZINC001237542204 1131112071 /nfs/dbraw/zinc/11/20/71/1131112071.db2.gz KJQFIJXFSVDJSL-UHFFFAOYSA-N 0 1 289.382 3.624 20 0 CHADMN CCc1nn(C)c(Cl)c1CN1CC(C)(C)[C@H]1C(C)C ZINC000816624805 1131112948 /nfs/dbraw/zinc/11/29/48/1131112948.db2.gz HXOUYHKQXAZXIG-CYBMUJFWSA-N 0 1 283.847 3.502 20 0 CHADMN Clc1ncnc2ccc(CN3CC4(C3)CCCC4)cc12 ZINC001237577865 1131116592 /nfs/dbraw/zinc/11/65/92/1131116592.db2.gz XHKGUWAWGZGGIF-UHFFFAOYSA-N 0 1 287.794 3.659 20 0 CHADMN COc1ccc(OC)c(CN(C)CC2CCCCC2)c1F ZINC001237580328 1131116610 /nfs/dbraw/zinc/11/66/10/1131116610.db2.gz LJOHDFGCPAUWEJ-UHFFFAOYSA-N 0 1 295.398 3.855 20 0 CHADMN CCN(Cc1cncn1CC)Cc1ccc(C)c(C)c1 ZINC001237596181 1131117006 /nfs/dbraw/zinc/11/70/06/1131117006.db2.gz VETBMPGIFCDXQI-UHFFFAOYSA-N 0 1 271.408 3.542 20 0 CHADMN COc1ccc(OC)c(CN2CCC[C@H]3CCC[C@H]32)c1F ZINC001237586924 1131117902 /nfs/dbraw/zinc/11/79/02/1131117902.db2.gz ZTGFZXGCSMYQMR-TZMCWYRMSA-N 0 1 293.382 3.607 20 0 CHADMN Cc1cc(Br)cc(CN2C[C@H](C)[C@H]2C)c1 ZINC000816648088 1131118653 /nfs/dbraw/zinc/11/86/53/1131118653.db2.gz DLBKGZLTZAQZAL-WDEREUQCSA-N 0 1 268.198 3.598 20 0 CHADMN C[C@@H]1CN(Cc2cnc(-c3cccs3)s2)[C@@H]1C ZINC000816647188 1131118920 /nfs/dbraw/zinc/11/89/20/1131118920.db2.gz ORZRWHRNTLJXLV-NXEZZACHSA-N 0 1 264.419 3.712 20 0 CHADMN O[C@@H](CN1CC[C@@H]1c1ccccc1)c1ccccc1Cl ZINC000799996689 1131119570 /nfs/dbraw/zinc/11/95/70/1131119570.db2.gz CYLOCRQOGXHUCP-SJORKVTESA-N 0 1 287.790 3.820 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1ccc(N(C)c2ccccc2)nc1 ZINC000816646889 1131119670 /nfs/dbraw/zinc/11/96/70/1131119670.db2.gz KENKKWJHZBRJDJ-LSDHHAIUSA-N 0 1 281.403 3.690 20 0 CHADMN C[C@@H]1CN(Cc2cnc(C3CCCC3)s2)[C@@H]1C ZINC000816648457 1131119740 /nfs/dbraw/zinc/11/97/40/1131119740.db2.gz KZFXHSBPESSNAS-GHMZBOCLSA-N 0 1 250.411 3.641 20 0 CHADMN CC(C)[C@H]1C[C@@H](NCc2c(F)cc(F)cc2F)CS1 ZINC000816651012 1131121093 /nfs/dbraw/zinc/12/10/93/1131121093.db2.gz ONQZCSJJDTXVOJ-QMTHXVAHSA-N 0 1 289.366 3.724 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@H]3CCCC[C@H]3C2)n1 ZINC001115857871 1131121221 /nfs/dbraw/zinc/12/12/21/1131121221.db2.gz AIZIKRJVYOUGPW-ZNMIVQPWSA-N 0 1 291.439 3.985 20 0 CHADMN CCOc1ccc(CN2C[C@H]3[C@H](CCC3(F)F)C2)c(F)c1 ZINC001237637071 1131121720 /nfs/dbraw/zinc/12/17/20/1131121720.db2.gz JGKIPYDNZKGIOG-RISCZKNCSA-N 0 1 299.336 3.702 20 0 CHADMN Oc1cc(F)c(-c2cncc3[nH]ccc32)cc1Cl ZINC001245672228 1131122982 /nfs/dbraw/zinc/12/29/82/1131122982.db2.gz QVTCMZFAXUWAHT-UHFFFAOYSA-N 0 1 262.671 3.728 20 0 CHADMN COc1cc(C)[nH+]cc1-c1cc(Cl)c([O-])cc1F ZINC001245671442 1131123168 /nfs/dbraw/zinc/12/31/68/1131123168.db2.gz IJBCZQUFHDREPD-UHFFFAOYSA-N 0 1 267.687 3.564 20 0 CHADMN CC(=O)[C@@H]1CCCN1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001237663674 1131125306 /nfs/dbraw/zinc/12/53/06/1131125306.db2.gz VDJWLZRTPCAGOV-IBGZPJMESA-N 0 1 295.382 3.613 20 0 CHADMN CC(C)c1ncc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)[nH]1 ZINC001116062925 1131126601 /nfs/dbraw/zinc/12/66/01/1131126601.db2.gz SSJMAATZWDVPFA-NSHDSACASA-N 0 1 289.354 3.505 20 0 CHADMN Cc1cc(CN2C[C@@H]3C[C@@H]3C2)c(Cl)cc1Cl ZINC001237698351 1131128421 /nfs/dbraw/zinc/12/84/21/1131128421.db2.gz WVYMSKKKRBDDST-AOOOYVTPSA-N 0 1 256.176 3.754 20 0 CHADMN Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)cc1Cl ZINC001237700578 1131129358 /nfs/dbraw/zinc/12/93/58/1131129358.db2.gz WCPIWJBJLUEYBB-BETUJISGSA-N 0 1 299.245 3.580 20 0 CHADMN CC[N@@H+](CCOC)Cc1cc(C)c(Cl)cc1Cl ZINC001237702573 1131129910 /nfs/dbraw/zinc/12/99/10/1131129910.db2.gz RLSYNZYOTHGNSR-UHFFFAOYSA-N 0 1 276.207 3.770 20 0 CHADMN CCN(CCOC)Cc1cc(C)c(Cl)cc1Cl ZINC001237702573 1131129915 /nfs/dbraw/zinc/12/99/15/1131129915.db2.gz RLSYNZYOTHGNSR-UHFFFAOYSA-N 0 1 276.207 3.770 20 0 CHADMN O=C(NCc1ccc(-c2ccccc2)cc1F)C(F)(F)F ZINC000816983663 1131135526 /nfs/dbraw/zinc/13/55/26/1131135526.db2.gz GKRJEPFAMOTRFL-UHFFFAOYSA-N 0 1 297.251 3.671 20 0 CHADMN C/C(=C/C(=O)Nc1nc2ccc(C)cc2[nH]1)C(C)(C)C ZINC000817017615 1131136274 /nfs/dbraw/zinc/13/62/74/1131136274.db2.gz VKUOIFOEDMWNKR-LUAWRHEFSA-N 0 1 271.364 3.802 20 0 CHADMN CCc1cc(CN2CCC[C@@H](C(C)=O)C2)ccc1Cl ZINC001237738423 1131136863 /nfs/dbraw/zinc/13/68/63/1131136863.db2.gz CSVNVSHJLJYFDE-OAHLLOKOSA-N 0 1 279.811 3.703 20 0 CHADMN CCc1ccc(CN(C)Cc2cccc3c2OCC3)cc1 ZINC001237749206 1131138512 /nfs/dbraw/zinc/13/85/12/1131138512.db2.gz NUUBUUKNGULHNC-UHFFFAOYSA-N 0 1 281.399 3.816 20 0 CHADMN Cc1nc(CN2CCC3(CC[C@H](F)C3)CC2)ccc1F ZINC001237819748 1131144102 /nfs/dbraw/zinc/14/41/02/1131144102.db2.gz LEPSCEDDMYRINE-ZDUSSCGKSA-N 0 1 280.362 3.633 20 0 CHADMN C[C@]1(F)CCCC[N@@H+](Cc2cccc(-c3ccccn3)n2)C1 ZINC001237830442 1131144777 /nfs/dbraw/zinc/14/47/77/1131144777.db2.gz ZPDUMXRXTMTZQB-SFHVURJKSA-N 0 1 299.393 3.858 20 0 CHADMN C[C@]1(F)CCCCN(Cc2cccc(-c3ccccn3)n2)C1 ZINC001237830442 1131144779 /nfs/dbraw/zinc/14/47/79/1131144779.db2.gz ZPDUMXRXTMTZQB-SFHVURJKSA-N 0 1 299.393 3.858 20 0 CHADMN CCN(Cc1ccc(COC)cc1)Cc1ccccc1F ZINC001116437398 1131145276 /nfs/dbraw/zinc/14/52/76/1131145276.db2.gz MGESEQARZJVIOK-UHFFFAOYSA-N 0 1 287.378 3.994 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccccc2Cl)n[nH]1 ZINC001116439766 1131145605 /nfs/dbraw/zinc/14/56/05/1131145605.db2.gz RXEXIQCPDQPHPY-OAHLLOKOSA-N 0 1 275.783 3.709 20 0 CHADMN CC[C@@H](C)N(C)Cc1cccc(OC)c1Br ZINC001237861102 1131145799 /nfs/dbraw/zinc/14/57/99/1131145799.db2.gz SJGHLARPRPMACQ-SNVBAGLBSA-N 0 1 286.213 3.688 20 0 CHADMN CCCCC1CCN(Cc2occc2OC)CC1 ZINC001237868562 1131146075 /nfs/dbraw/zinc/14/60/75/1131146075.db2.gz LGVIIBSYCDDWGG-UHFFFAOYSA-N 0 1 251.370 3.690 20 0 CHADMN COc1ccoc1C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001237874196 1131146404 /nfs/dbraw/zinc/14/64/04/1131146404.db2.gz JBJKNOGMWJNSBW-CYBMUJFWSA-N 0 1 291.778 3.931 20 0 CHADMN COc1cc(CN2CCCc3sccc3C2)ccc1F ZINC001116442552 1131146514 /nfs/dbraw/zinc/14/65/14/1131146514.db2.gz CVSZRKUTPOLGKA-UHFFFAOYSA-N 0 1 291.391 3.844 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CCCC2(CCC2)C1 ZINC001237876837 1131147504 /nfs/dbraw/zinc/14/75/04/1131147504.db2.gz DEIFCGQWSAZBFA-UHFFFAOYSA-N 0 1 299.418 3.785 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](C)Cc1occc1OC ZINC001237874281 1131147688 /nfs/dbraw/zinc/14/76/88/1131147688.db2.gz LCXLNIRVJKNZLY-CQSZACIVSA-N 0 1 259.349 3.871 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1occc1OC ZINC001237874281 1131147690 /nfs/dbraw/zinc/14/76/90/1131147690.db2.gz LCXLNIRVJKNZLY-CQSZACIVSA-N 0 1 259.349 3.871 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CC[C@H](C)C[C@@H]1C ZINC001237875232 1131147960 /nfs/dbraw/zinc/14/79/60/1131147960.db2.gz PETFPYRORVPFOB-STQMWFEESA-N 0 1 287.407 3.639 20 0 CHADMN CCCOc1cc(F)ccc1CN1CC[C@@]2(CC2(F)F)C1 ZINC001237906299 1131150115 /nfs/dbraw/zinc/15/01/15/1131150115.db2.gz UFBWNZABJBOWNC-OAHLLOKOSA-N 0 1 299.336 3.846 20 0 CHADMN CCCOC1CCN(Cc2cc(F)cc(OCC)c2)CC1 ZINC001237916193 1131151268 /nfs/dbraw/zinc/15/12/68/1131151268.db2.gz DKLDPMKXBFCMSF-UHFFFAOYSA-N 0 1 295.398 3.615 20 0 CHADMN CCCCN(C)Cc1ccc(F)c(Br)c1F ZINC001238080664 1131167941 /nfs/dbraw/zinc/16/79/41/1131167941.db2.gz JJGUBBSOKUFZLB-UHFFFAOYSA-N 0 1 292.167 3.959 20 0 CHADMN CCOc1ccc(CN2CC3(C2)CCCC3)cc1F ZINC001237954737 1131155598 /nfs/dbraw/zinc/15/55/98/1131155598.db2.gz OQBTXRVFTRWAIC-UHFFFAOYSA-N 0 1 263.356 3.600 20 0 CHADMN Oc1ccc(-c2nc(CN3CCCCC3)cs2)cc1 ZINC001237977172 1131157059 /nfs/dbraw/zinc/15/70/59/1131157059.db2.gz FLEMJMUTAKTHPZ-UHFFFAOYSA-N 0 1 274.389 3.502 20 0 CHADMN CC(C)[N@@H+](C)Cc1csc(-c2cccc(F)c2)n1 ZINC001237976577 1131157237 /nfs/dbraw/zinc/15/72/37/1131157237.db2.gz PXRPORAIZSVTCJ-UHFFFAOYSA-N 0 1 264.369 3.789 20 0 CHADMN CC(C)N(C)Cc1csc(-c2cccc(F)c2)n1 ZINC001237976577 1131157240 /nfs/dbraw/zinc/15/72/40/1131157240.db2.gz PXRPORAIZSVTCJ-UHFFFAOYSA-N 0 1 264.369 3.789 20 0 CHADMN CC[C@H](C)[C@H](C(=O)NOCCC1CC1)c1ccccc1 ZINC000817399252 1131158256 /nfs/dbraw/zinc/15/82/56/1131158256.db2.gz IIEWUUDTMVZPBX-BBRMVZONSA-N 0 1 275.392 3.664 20 0 CHADMN Oc1c(F)cc(CN2CCC[C@H](C(F)F)C2)cc1Cl ZINC001237994101 1131159773 /nfs/dbraw/zinc/15/97/73/1131159773.db2.gz BTMAVBOUEFRASY-VIFPVBQESA-N 0 1 293.716 3.662 20 0 CHADMN FC(F)[C@@H]1CCCN(Cc2[nH]nc3cc(Cl)ccc32)C1 ZINC001238000779 1131160158 /nfs/dbraw/zinc/16/01/58/1131160158.db2.gz OUPWDJPRLGAWFP-SECBINFHSA-N 0 1 299.752 3.693 20 0 CHADMN CCN(Cc1n[nH]c2cc(Cl)ccc21)CC(F)(F)F ZINC001238001114 1131160254 /nfs/dbraw/zinc/16/02/54/1131160254.db2.gz RUZIYUHTRLDCEM-UHFFFAOYSA-N 0 1 291.704 3.601 20 0 CHADMN CN(Cc1[nH]nc2cc(Cl)ccc21)Cc1ccccc1 ZINC001237995084 1131160355 /nfs/dbraw/zinc/16/03/55/1131160355.db2.gz MEOYGJSTKDFHOA-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CN(Cc1cncc(Cl)c1Cl)C[C@@H]1CC1(C)C ZINC001238013722 1131162101 /nfs/dbraw/zinc/16/21/01/1131162101.db2.gz ZFKISVWZFSSHFM-JTQLQIEISA-N 0 1 273.207 3.866 20 0 CHADMN C[C@H]1CCCN(Cc2cnc(F)cc2Cl)C[C@H]1C ZINC001238018647 1131162173 /nfs/dbraw/zinc/16/21/73/1131162173.db2.gz VERHOSWHHPGOAB-WDEREUQCSA-N 0 1 270.779 3.742 20 0 CHADMN COc1ncc(C2CC2)cc1CN1CCCC2(CCC2)C1 ZINC001238031206 1131164093 /nfs/dbraw/zinc/16/40/93/1131164093.db2.gz NQUQXCYTDLQWNL-UHFFFAOYSA-N 0 1 286.419 3.734 20 0 CHADMN CCOc1cc(CN2CCc3cc(O)ccc3C2)ccc1C ZINC001238067145 1131166270 /nfs/dbraw/zinc/16/62/70/1131166270.db2.gz HRGMUDQDRQEDDY-UHFFFAOYSA-N 0 1 297.398 3.658 20 0 CHADMN C[N@@H+](CCc1ccc(F)cc1F)Cc1ccsc1 ZINC001116857503 1131166608 /nfs/dbraw/zinc/16/66/08/1131166608.db2.gz QDJFFZWTEGWVAI-UHFFFAOYSA-N 0 1 267.344 3.701 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2cc(O)ccc2C)cc1 ZINC001238099260 1131170503 /nfs/dbraw/zinc/17/05/03/1131170503.db2.gz OFMFOYWQDRTBGF-UHFFFAOYSA-N 0 1 255.361 3.641 20 0 CHADMN Cc1cccc(C[N@H+](C)Cc2cc(O)ccc2C)c1 ZINC001238101367 1131170845 /nfs/dbraw/zinc/17/08/45/1131170845.db2.gz NFFLLZCKIKXVHG-UHFFFAOYSA-N 0 1 255.361 3.641 20 0 CHADMN Cc1cccc2c1CN(Cc1cc(O)ccc1C)C2 ZINC001238092168 1131170957 /nfs/dbraw/zinc/17/09/57/1131170957.db2.gz FWFDEVYGNDFGFA-UHFFFAOYSA-N 0 1 253.345 3.525 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2ccc(Cl)c(F)c2)n(C)n1 ZINC001117076168 1131171793 /nfs/dbraw/zinc/17/17/93/1131171793.db2.gz PJHDAJLTFZKJQE-MNOVXSKESA-N 0 1 295.789 3.933 20 0 CHADMN C[C@@H]1CCN(Cc2cc(Cl)c(O)cc2F)CC1(F)F ZINC001238147361 1131173742 /nfs/dbraw/zinc/17/37/42/1131173742.db2.gz VHRBPSHTDGQFFT-MRVPVSSYSA-N 0 1 293.716 3.662 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCC3(CCC3)C2)cc1Cl ZINC001238147807 1131173827 /nfs/dbraw/zinc/17/38/27/1131173827.db2.gz BQUMDMDAXJOZDP-UHFFFAOYSA-N 0 1 269.747 3.561 20 0 CHADMN [O-]c1cc(F)c(C[N@@H+]2CCC23CCCC3)cc1Cl ZINC001238147338 1131174427 /nfs/dbraw/zinc/17/44/27/1131174427.db2.gz TZFQUUGMPIRMFW-UHFFFAOYSA-N 0 1 269.747 3.703 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCC23CCCC3)cc1Cl ZINC001238147338 1131174428 /nfs/dbraw/zinc/17/44/28/1131174428.db2.gz TZFQUUGMPIRMFW-UHFFFAOYSA-N 0 1 269.747 3.703 20 0 CHADMN Nc1ccnc(F)c1CN1CCC[C@H](c2ccccc2)CC1 ZINC001238161753 1131175800 /nfs/dbraw/zinc/17/58/00/1131175800.db2.gz MTCQEDFSEIWUOL-HNNXBMFYSA-N 0 1 299.393 3.573 20 0 CHADMN Cc1cc(C)cc([C@@H]2CCCN2Cc2c(N)ccnc2F)c1 ZINC001238164932 1131176619 /nfs/dbraw/zinc/17/66/19/1131176619.db2.gz JQGLUOVQMHURPQ-KRWDZBQOSA-N 0 1 299.393 3.757 20 0 CHADMN COc1cccc(CN(C)Cc2cncc(C3CC3)c2)c1 ZINC001238185114 1131177790 /nfs/dbraw/zinc/17/77/90/1131177790.db2.gz PHYQSDRLGVVXRR-UHFFFAOYSA-N 0 1 282.387 3.600 20 0 CHADMN c1ccc(C2CN(Cc3cncc(C4CC4)c3)C2)cc1 ZINC001238192816 1131179960 /nfs/dbraw/zinc/17/99/60/1131179960.db2.gz HWUYDMUPOQAEQI-UHFFFAOYSA-N 0 1 264.372 3.558 20 0 CHADMN C[C@@H](OC(=O)[C@@H]1CC12CC2)c1nc2ccc(Cl)cc2[nH]1 ZINC000817716974 1131180369 /nfs/dbraw/zinc/18/03/69/1131180369.db2.gz SXMPMWAMBXTMQL-SCZZXKLOSA-N 0 1 290.750 3.621 20 0 CHADMN CC(C)c1cc(CN2CC[C@](C)(CO)C2)ccc1Cl ZINC001238220350 1131183770 /nfs/dbraw/zinc/18/37/70/1131183770.db2.gz TUQPCIIVWRKHJU-INIZCTEOSA-N 0 1 281.827 3.668 20 0 CHADMN Nc1cc(N[C@@H](c2ccccc2)C(F)(F)F)ncc1F ZINC001170882801 1131187135 /nfs/dbraw/zinc/18/71/35/1131187135.db2.gz LAYLAUCFQLYPSW-LBPRGKRZSA-N 0 1 285.244 3.518 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CC[C@](C)(CF)C1 ZINC001238319730 1131190461 /nfs/dbraw/zinc/19/04/61/1131190461.db2.gz XXNUHKZTWXJCDC-MRXNPFEDSA-N 0 1 283.362 3.794 20 0 CHADMN CC(C)Oc1c(F)cccc1CN(C)C[C@@H]1CCCCO1 ZINC001238330603 1131191709 /nfs/dbraw/zinc/19/17/09/1131191709.db2.gz WNTCHTDHDPDLDP-HNNXBMFYSA-N 0 1 295.398 3.614 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(OC)ncc1Cl ZINC001238354275 1131193233 /nfs/dbraw/zinc/19/32/33/1131193233.db2.gz KTIGPKGDRAQTGW-LBPRGKRZSA-N 0 1 268.788 3.508 20 0 CHADMN O=C(Nc1ccc(C2CC2)cc1F)c1cn[nH]c1C1CC1 ZINC000828621682 1131196123 /nfs/dbraw/zinc/19/61/23/1131196123.db2.gz MBPUNEIVQKUPTC-UHFFFAOYSA-N 0 1 285.322 3.556 20 0 CHADMN CC(C)Oc1cccc(CN2CCCOC(C)(C)C2)c1F ZINC001238423357 1131196918 /nfs/dbraw/zinc/19/69/18/1131196918.db2.gz ALOMZMOCTPFZQR-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN CCOc1ccccc1CNCc1cccn1C1CC1 ZINC001117782910 1131199647 /nfs/dbraw/zinc/19/96/47/1131199647.db2.gz BPVMHPPHIXFKGG-UHFFFAOYSA-N 0 1 270.376 3.512 20 0 CHADMN CC(C)Oc1ccc(CN2CCC[C@@H]3C[C@@H]32)c(F)c1 ZINC001238449854 1131202827 /nfs/dbraw/zinc/20/28/27/1131202827.db2.gz NTLNAVWGHGUAPF-WBMJQRKESA-N 0 1 263.356 3.597 20 0 CHADMN CN(Cc1ccc(F)c(C2CC2)c1)C1CC(F)(F)C1 ZINC001238497869 1131208832 /nfs/dbraw/zinc/20/88/32/1131208832.db2.gz FPNDBDRLKLGGQF-UHFFFAOYSA-N 0 1 269.310 3.933 20 0 CHADMN CCOc1cc(C[N@@H+](C)C2CC2)cc(C(F)(F)F)c1 ZINC001238502224 1131209955 /nfs/dbraw/zinc/20/99/55/1131209955.db2.gz TVFMJOJOZKCXRB-UHFFFAOYSA-N 0 1 273.298 3.698 20 0 CHADMN Cc1c(Cl)ccc(CN2CCC[C@H]2C(C)(C)O)c1F ZINC001238517970 1131212503 /nfs/dbraw/zinc/21/25/03/1131212503.db2.gz MQRWEBUYVQDADL-ZDUSSCGKSA-N 0 1 285.790 3.523 20 0 CHADMN CC(C)Oc1c(F)ccc(CN2CCC[C@@H]2C)c1F ZINC001238527260 1131213920 /nfs/dbraw/zinc/21/39/20/1131213920.db2.gz JAEDVEPKMMDYPE-NSHDSACASA-N 0 1 269.335 3.736 20 0 CHADMN Fc1ccc(CN2CC3(C2)CCOC3)cc1-c1ccccc1 ZINC001238559648 1131215884 /nfs/dbraw/zinc/21/58/84/1131215884.db2.gz DIOMZFJSYOASMY-UHFFFAOYSA-N 0 1 297.373 3.715 20 0 CHADMN COc1cc(C)cc(F)c1CN(C)CCc1ccccc1 ZINC001238581934 1131218634 /nfs/dbraw/zinc/21/86/34/1131218634.db2.gz CSLZFNIXQHQABP-UHFFFAOYSA-N 0 1 287.378 3.817 20 0 CHADMN COc1cc(C)cc(F)c1CN(CC1CC1)C1CC1 ZINC001238596308 1131219430 /nfs/dbraw/zinc/21/94/30/1131219430.db2.gz UJEUAMYKSADLHT-UHFFFAOYSA-N 0 1 263.356 3.517 20 0 CHADMN Cc1cnc(-c2ccccc2)c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001238614499 1131221717 /nfs/dbraw/zinc/22/17/17/1131221717.db2.gz WHRNYCBYPBKVBV-RYQLBKOJSA-N 0 1 296.389 3.847 20 0 CHADMN Cc1cc(CN(C)Cc2cccs2)cnc1C1CC1 ZINC001238616800 1131223859 /nfs/dbraw/zinc/22/38/59/1131223859.db2.gz IARGALHRDQGOBR-UHFFFAOYSA-N 0 1 272.417 3.961 20 0 CHADMN CN(CCF)Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001238633268 1131226562 /nfs/dbraw/zinc/22/65/62/1131226562.db2.gz HRSTUFWFOXVPCS-UHFFFAOYSA-N 0 1 278.758 3.803 20 0 CHADMN C[C@H](CN1CCc2cc(Cl)nnc2C1)C1CCCCC1 ZINC000829176269 1131413969 /nfs/dbraw/zinc/41/39/69/1131413969.db2.gz RRXIFHTXVOHBMC-GFCCVEGCSA-N 0 1 293.842 3.705 20 0 CHADMN CC[C@H](C)CCCCC(=O)Nc1cc(N(C)C)ccn1 ZINC001137800068 1131417497 /nfs/dbraw/zinc/41/74/97/1131417497.db2.gz TXAONIZJRHRLJK-ZDUSSCGKSA-N 0 1 277.412 3.693 20 0 CHADMN Cc1ccccc1[C@H](c1noc([C@@H]2C[C@H]3C[C@H]3N2)n1)C(C)C ZINC000823209933 1131417613 /nfs/dbraw/zinc/41/76/13/1131417613.db2.gz KQKPPIVVUYSCRE-DMRZNYOFSA-N 0 1 297.402 3.589 20 0 CHADMN Clc1ncsc1CN1CC[C@H]2CCCC[C@@H]2C1 ZINC001137824720 1131419730 /nfs/dbraw/zinc/41/97/30/1131419730.db2.gz DHRYAIHTZOMZAX-GHMZBOCLSA-N 0 1 270.829 3.809 20 0 CHADMN CC(C)c1ccoc1-c1noc([C@H]2C[C@H](C)CCN2)n1 ZINC000823242862 1131420217 /nfs/dbraw/zinc/42/02/17/1131420217.db2.gz GIYIVKAYRFNTGF-ZYHUDNBSSA-N 0 1 275.352 3.514 20 0 CHADMN Cc1ccccc1C1(NCc2ccnc(Cl)c2)CC1 ZINC000829489917 1131421155 /nfs/dbraw/zinc/42/11/55/1131421155.db2.gz MEGKJMCYHRCGEZ-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN Fc1c(CN2CC[C@@H](c3ccccc3)C2)ccnc1Cl ZINC000823403817 1131426344 /nfs/dbraw/zinc/42/63/44/1131426344.db2.gz BOBICZBXSAHXOK-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN Fc1cc(CN2CCSC3(CCCCC3)C2)c(F)cn1 ZINC000823471560 1131429242 /nfs/dbraw/zinc/42/92/42/1131429242.db2.gz VJFOIDTYVYBNNX-UHFFFAOYSA-N 0 1 298.402 3.612 20 0 CHADMN CC[C@H](C)CN(CC)Cc1ccnc(Cl)c1F ZINC000823477317 1131429331 /nfs/dbraw/zinc/42/93/31/1131429331.db2.gz PXNDGQSYKFJXNB-JTQLQIEISA-N 0 1 258.768 3.742 20 0 CHADMN C[C@H](NCc1cc(C2CC2)nn1C)c1ccc(Cl)cc1 ZINC000823584308 1131432353 /nfs/dbraw/zinc/43/23/53/1131432353.db2.gz GTLXJFWOGVLQPU-NSHDSACASA-N 0 1 289.810 3.802 20 0 CHADMN C[C@H](NC[C@]1(C)CC1(Cl)Cl)c1c(F)cncc1F ZINC000829768791 1131432412 /nfs/dbraw/zinc/43/24/12/1131432412.db2.gz ZVBPMLAIRVLODT-CPCISQLKSA-N 0 1 295.160 3.594 20 0 CHADMN Fc1cc(CN[C@H](c2cccs2)C2CC2)c(F)cn1 ZINC000823613829 1131434471 /nfs/dbraw/zinc/43/44/71/1131434471.db2.gz JEEGFRSUAKHAAV-AWEZNQCLSA-N 0 1 280.343 3.662 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)c2ccsc2Cl)c1 ZINC001137920896 1131435476 /nfs/dbraw/zinc/43/54/76/1131435476.db2.gz MDEBTWFRUOFFCS-UHFFFAOYSA-N 0 1 295.747 3.562 20 0 CHADMN CN(Cc1c(F)ccc(F)c1F)C1CCCCC1 ZINC001137925346 1131436500 /nfs/dbraw/zinc/43/65/00/1131436500.db2.gz HAFMVMYTKKGCBI-UHFFFAOYSA-N 0 1 257.299 3.868 20 0 CHADMN C[C@@]1(CN2CCC=C(c3cccnc3)C2)CC1(Cl)Cl ZINC000829897805 1131438838 /nfs/dbraw/zinc/43/88/38/1131438838.db2.gz NHZNLFUQBVKCRE-AWEZNQCLSA-N 0 1 297.229 3.755 20 0 CHADMN Fc1c(Cl)cccc1CN1CCC2(CCCO2)CC1 ZINC001137961395 1131442862 /nfs/dbraw/zinc/44/28/62/1131442862.db2.gz IMCANEYCXMIEJT-UHFFFAOYSA-N 0 1 283.774 3.624 20 0 CHADMN Cc1ccc(CN2CCC3(CCCOC3)CC2)c(F)c1F ZINC001137971380 1131445213 /nfs/dbraw/zinc/44/52/13/1131445213.db2.gz QURZUNDZGBYZRX-UHFFFAOYSA-N 0 1 295.373 3.666 20 0 CHADMN COc1cc(F)cc(CN[C@H](c2ccccn2)C(C)C)c1 ZINC000823883457 1131446425 /nfs/dbraw/zinc/44/64/25/1131446425.db2.gz ZIDFYGCBAKPMCX-KRWDZBQOSA-N 0 1 288.366 3.716 20 0 CHADMN O=C(C[C@@H]1CC=CCC1)Nc1cccc2c1CN(C1CC1)C2 ZINC001137994695 1131448182 /nfs/dbraw/zinc/44/81/82/1131448182.db2.gz ZLRPTNDMIORBSQ-CQSZACIVSA-N 0 1 296.414 3.850 20 0 CHADMN Cn1nc(C2CC2)cc1CN[C@@H]1CCCc2cc(F)ccc21 ZINC000824032283 1131450750 /nfs/dbraw/zinc/45/07/50/1131450750.db2.gz OXVSZVRYVXAJNN-QGZVFWFLSA-N 0 1 299.393 3.604 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@](C)(CO)CC2)c1Cl ZINC001138023018 1131452738 /nfs/dbraw/zinc/45/27/38/1131452738.db2.gz WOVSALAWDAIVIT-INIZCTEOSA-N 0 1 299.817 3.772 20 0 CHADMN CC[C@H](C)[C@H](C)NC(=O)c1cccc(C(F)(F)F)c1O ZINC001136854585 1131463922 /nfs/dbraw/zinc/46/39/22/1131463922.db2.gz CPLRUZCWWRELDO-IUCAKERBSA-N 0 1 289.297 3.575 20 0 CHADMN CCOc1cccc(CN2CCc3cccc(OC)c3C2)c1 ZINC001138095983 1131464223 /nfs/dbraw/zinc/46/42/23/1131464223.db2.gz OKADCRYTCLARBC-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN Clc1cccc([C@@H]2CCN(Cc3cnc[nH]3)C2)c1Cl ZINC001136871619 1131469545 /nfs/dbraw/zinc/46/95/45/1131469545.db2.gz XOWJWYOEPQSDBQ-SNVBAGLBSA-N 0 1 296.201 3.706 20 0 CHADMN C[C@]1(F)CCCN(Cc2nccc3ccccc32)C1 ZINC000824472850 1131470587 /nfs/dbraw/zinc/47/05/87/1131470587.db2.gz ZSJDZXWRXJFYMX-INIZCTEOSA-N 0 1 258.340 3.559 20 0 CHADMN C[C@H]1CN(C[C@@]2(C)CC2(Cl)Cl)CC2(CCCC2)O1 ZINC000830858901 1131470921 /nfs/dbraw/zinc/47/09/21/1131470921.db2.gz CEXQYLRHXWJIGL-NWDGAFQWSA-N 0 1 292.250 3.604 20 0 CHADMN C[C@H]1CN(CC[C@H]2CC2(Cl)Cl)CC2(CCCC2)O1 ZINC000830860159 1131471101 /nfs/dbraw/zinc/47/11/01/1131471101.db2.gz KCARLTIDXDXBKT-RYUDHWBXSA-N 0 1 292.250 3.604 20 0 CHADMN FC(F)Sc1ccc(CN2CC3(CC3)C2)cc1 ZINC000824533838 1131472178 /nfs/dbraw/zinc/47/21/78/1131472178.db2.gz PXWSMDBKMMOLHF-UHFFFAOYSA-N 0 1 255.333 3.597 20 0 CHADMN C/C(=C/c1ccc(Cl)cc1)CN[C@@H]1CCn2ccnc21 ZINC000824525965 1131472612 /nfs/dbraw/zinc/47/26/12/1131472612.db2.gz GCBULKVGYZGOBT-KUGGDMIFSA-N 0 1 287.794 3.674 20 0 CHADMN c1oc(C2CC2)nc1CN1CCCC[C@@H]1C1CCC1 ZINC000843437374 1131474025 /nfs/dbraw/zinc/47/40/25/1131474025.db2.gz FMQJVWLYHZTQJY-OAHLLOKOSA-N 0 1 260.381 3.707 20 0 CHADMN Cc1cccc2nc(CNC(=O)O[C@H](C)CC(C)C)[nH]c21 ZINC000830996107 1131475039 /nfs/dbraw/zinc/47/50/39/1131475039.db2.gz SPNWFJGBZFCAON-GFCCVEGCSA-N 0 1 289.379 3.532 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC001138244986 1131481778 /nfs/dbraw/zinc/48/17/78/1131481778.db2.gz OSCXDBZCXQXVNY-WDEREUQCSA-N 0 1 281.783 3.689 20 0 CHADMN Cc1ccc2c(CN(C)Cc3cccnc3)c[nH]c2c1 ZINC001136967763 1131490481 /nfs/dbraw/zinc/49/04/81/1131490481.db2.gz QYFWYDONLLZPCO-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN Cc1ccc2c(CN3CC4(C3)C[C@@H](F)CS4)c[nH]c2c1 ZINC001136974883 1131491479 /nfs/dbraw/zinc/49/14/79/1131491479.db2.gz QOTXKKUDKOAQKL-CYBMUJFWSA-N 0 1 290.407 3.506 20 0 CHADMN CCc1cccc2c(CN3CCc4ncsc4C3)c[nH]c21 ZINC001138366435 1131494805 /nfs/dbraw/zinc/49/48/05/1131494805.db2.gz YDVQUIXRVMEPLU-UHFFFAOYSA-N 0 1 297.427 3.745 20 0 CHADMN CC(C)(C)C1CCN(Cc2cncc(Cl)c2)CC1 ZINC001136989230 1131497849 /nfs/dbraw/zinc/49/78/49/1131497849.db2.gz ASVZGCBEXGBGPU-UHFFFAOYSA-N 0 1 266.816 3.993 20 0 CHADMN Cc1c2ccccc2[nH]c1CN(C)Cc1cccnc1C ZINC001138401314 1131499612 /nfs/dbraw/zinc/49/96/12/1131499612.db2.gz MSVHJTGLXOMVML-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCCC[C@H](F)C1 ZINC001138410096 1131500518 /nfs/dbraw/zinc/50/05/18/1131500518.db2.gz SIEOCZNBCUQJPP-ZDUSSCGKSA-N 0 1 278.346 3.939 20 0 CHADMN Cc1c2cc(F)ccc2[nH]c1CN1CCCC[C@H](F)C1 ZINC001138410096 1131500521 /nfs/dbraw/zinc/50/05/21/1131500521.db2.gz SIEOCZNBCUQJPP-ZDUSSCGKSA-N 0 1 278.346 3.939 20 0 CHADMN COc1ncc(CN2Cc3ccccc3[C@@H](C)C2)cc1C ZINC001137000617 1131500575 /nfs/dbraw/zinc/50/05/75/1131500575.db2.gz YTPPTTONQKMCBN-AWEZNQCLSA-N 0 1 282.387 3.518 20 0 CHADMN CCN(Cc1ccccc1)Cc1cc(F)c(OC)c(F)c1 ZINC001138419440 1131502611 /nfs/dbraw/zinc/50/26/11/1131502611.db2.gz AGWUQSKPIXLTDR-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN Cc1cc(CN2CCC[C@@]3(CCSC3)C2)cc(Cl)n1 ZINC000825215806 1131502833 /nfs/dbraw/zinc/50/28/33/1131502833.db2.gz WWMMBYSGAAWMCS-OAHLLOKOSA-N 0 1 296.867 3.763 20 0 CHADMN CCc1ccc(CN(C)Cc2cnc(OC)c(C)c2)cc1 ZINC001137007565 1131503701 /nfs/dbraw/zinc/50/37/01/1131503701.db2.gz FFOIXPVVWGEPPK-UHFFFAOYSA-N 0 1 284.403 3.593 20 0 CHADMN CCOc1ccc(CN2CCc3cc(O)ccc3C2)c(C)c1 ZINC001138432149 1131504606 /nfs/dbraw/zinc/50/46/06/1131504606.db2.gz FXFVKBZNAHQPFA-UHFFFAOYSA-N 0 1 297.398 3.658 20 0 CHADMN CCN(Cc1cccs1)Cc1ncc(C(F)(F)F)[nH]1 ZINC001137018782 1131506263 /nfs/dbraw/zinc/50/62/63/1131506263.db2.gz FLWFSMKPYRMDMQ-UHFFFAOYSA-N 0 1 289.326 3.512 20 0 CHADMN Cc1c2ccccc2sc1CN1C[C@@H](C)O[C@H](C)C1 ZINC001138458623 1131508049 /nfs/dbraw/zinc/50/80/49/1131508049.db2.gz GCKARMQMMLTHQF-VXGBXAGGSA-N 0 1 275.417 3.819 20 0 CHADMN Cc1c2ccccc2sc1CN1C[C@H]2CC[C@@H]1CO2 ZINC001138462161 1131509796 /nfs/dbraw/zinc/50/97/96/1131509796.db2.gz NZFCNPXXSRLCMJ-CHWSQXEVSA-N 0 1 273.401 3.573 20 0 CHADMN CC(C)[C@@H]1CCC[C@H](NC(=O)c2n[nH]c3ccccc32)CC1 ZINC001138506719 1131513695 /nfs/dbraw/zinc/51/36/95/1131513695.db2.gz ADXRVRQYUNKURA-KGLIPLIRSA-N 0 1 299.418 3.898 20 0 CHADMN c1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001138532839 1131517213 /nfs/dbraw/zinc/51/72/13/1131517213.db2.gz WFBYCMMODRQRBT-DZGCQCFKSA-N 0 1 270.401 3.794 20 0 CHADMN C[C@H]1CN(Cc2c[nH]nc2C(C)(C)C)Cc2ccccc21 ZINC001138575645 1131523446 /nfs/dbraw/zinc/52/34/46/1131523446.db2.gz WQOGBMPNBHSCRL-ZDUSSCGKSA-N 0 1 283.419 3.827 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1c[nH]nc1C(C)(C)C ZINC001138580272 1131523808 /nfs/dbraw/zinc/52/38/08/1131523808.db2.gz RMWGMOJEHWEDGH-DHZHZOJOSA-N 0 1 283.419 3.852 20 0 CHADMN Cc1ccc(C(F)(F)F)c(CN2CCC[C@]23CCOC3)c1 ZINC001143680483 1131524059 /nfs/dbraw/zinc/52/40/59/1131524059.db2.gz DIWOMKYZZLDXMO-OAHLLOKOSA-N 0 1 299.336 3.769 20 0 CHADMN CCN(Cc1cccnc1)Cc1ccccc1N1CCCC1 ZINC001138609934 1131526174 /nfs/dbraw/zinc/52/61/74/1131526174.db2.gz BGQSURMNXLDPLC-UHFFFAOYSA-N 0 1 295.430 3.704 20 0 CHADMN CO[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2Cl)C1 ZINC001143709315 1131526979 /nfs/dbraw/zinc/52/69/79/1131526979.db2.gz BZICIMYCUGFILC-LLVKDONJSA-N 0 1 293.716 3.580 20 0 CHADMN CCCn1ncc(CN2Cc3ccccc3[C@@H](C)C2)c1C ZINC001138636560 1131531369 /nfs/dbraw/zinc/53/13/69/1131531369.db2.gz GZKQNBQPVMNIOJ-AWEZNQCLSA-N 0 1 283.419 3.721 20 0 CHADMN CCCn1ncc(CN2CCC[C@H]2c2ccc(C)nc2)c1C ZINC001138640632 1131531970 /nfs/dbraw/zinc/53/19/70/1131531970.db2.gz ZVYPAYONHQPKGV-SFHVURJKSA-N 0 1 298.434 3.642 20 0 CHADMN CCSc1ncc(C[N@@H+](C)[C@@H]2CCc3ccccc32)cn1 ZINC001138657916 1131532854 /nfs/dbraw/zinc/53/28/54/1131532854.db2.gz UDZJHHYTDQSXTJ-MRXNPFEDSA-N 0 1 299.443 3.708 20 0 CHADMN CCSc1ncc(CN(C)[C@@H]2CCc3ccccc32)cn1 ZINC001138657916 1131532859 /nfs/dbraw/zinc/53/28/59/1131532859.db2.gz UDZJHHYTDQSXTJ-MRXNPFEDSA-N 0 1 299.443 3.708 20 0 CHADMN FC1(F)CCC[C@@H]1N[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171105554 1131533551 /nfs/dbraw/zinc/53/35/51/1131533551.db2.gz VCHVXSWLGKEIIG-KBPBESRZSA-N 0 1 285.765 3.975 20 0 CHADMN COCC[C@H]1CCCCN1Cc1cc(F)ccc1Cl ZINC001138674546 1131535471 /nfs/dbraw/zinc/53/54/71/1131535471.db2.gz VMUKZYFXGPWMDS-CQSZACIVSA-N 0 1 285.790 3.870 20 0 CHADMN F[C@H]1CN(Cc2c(Cl)[nH]c3ccccc32)C[C@@H]2C[C@@H]21 ZINC001138685751 1131536766 /nfs/dbraw/zinc/53/67/66/1131536766.db2.gz ISDONIREIAQYOO-GAFUQQFSSA-N 0 1 278.758 3.611 20 0 CHADMN CC[C@@H]1CCN(Cc2cc(F)c(OC)c(Cl)c2)C1 ZINC001143865369 1131539234 /nfs/dbraw/zinc/53/92/34/1131539234.db2.gz ZHHFNSQXXLBNFY-SNVBAGLBSA-N 0 1 271.763 3.720 20 0 CHADMN COc1cc(Cl)cc(CN2CCCCC23CC3)c1OC ZINC001138746305 1131545160 /nfs/dbraw/zinc/54/51/60/1131545160.db2.gz XRTUMZNSIJYQLX-UHFFFAOYSA-N 0 1 295.810 3.876 20 0 CHADMN COc1cc(Cl)cc(CN2CCC[C@H](C)CC2)c1OC ZINC001138741830 1131545285 /nfs/dbraw/zinc/54/52/85/1131545285.db2.gz CHCZQTWFEMWVRZ-LBPRGKRZSA-N 0 1 297.826 3.979 20 0 CHADMN COc1cc(Cl)cc(CN2CCCC[C@@H]2C)c1OC ZINC001138744141 1131545312 /nfs/dbraw/zinc/54/53/12/1131545312.db2.gz MAPBAHCVVWLBQB-NSHDSACASA-N 0 1 283.799 3.732 20 0 CHADMN CCN(Cc1ccnn1[C@H]1CCCCO1)Cc1ccccc1 ZINC001138774018 1131548815 /nfs/dbraw/zinc/54/88/15/1131548815.db2.gz WQCVPAAWTVSRMO-GOSISDBHSA-N 0 1 299.418 3.604 20 0 CHADMN Cc1ccc([C@@H](O)CN2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000832231857 1131548894 /nfs/dbraw/zinc/54/88/94/1131548894.db2.gz NJXBDSXAPCAMEF-FUHWJXTLSA-N 0 1 297.398 3.849 20 0 CHADMN CCN(Cc1ccnn1[C@@H]1CCCCO1)Cc1ccccc1 ZINC001138774048 1131549076 /nfs/dbraw/zinc/54/90/76/1131549076.db2.gz WQCVPAAWTVSRMO-SFHVURJKSA-N 0 1 299.418 3.604 20 0 CHADMN O[C@@H](CCN1CC2(CCC2)[C@H]1c1ccco1)c1ccccc1 ZINC000832237675 1131550372 /nfs/dbraw/zinc/55/03/72/1131550372.db2.gz VQLTWYWAFSIYBT-FUHWJXTLSA-N 0 1 297.398 3.930 20 0 CHADMN CC[C@@H](OCCN1CCC(F)(F)CC1)c1ccccc1 ZINC000844323501 1131551669 /nfs/dbraw/zinc/55/16/69/1131551669.db2.gz AKBQPFHSAHPJCR-OAHLLOKOSA-N 0 1 283.362 3.885 20 0 CHADMN CN(Cc1cnc2ccccn12)Cc1ccc2occc2c1 ZINC001138824006 1131552237 /nfs/dbraw/zinc/55/22/37/1131552237.db2.gz WKEODYBNJDDVGG-UHFFFAOYSA-N 0 1 291.354 3.713 20 0 CHADMN Cc1c(CN2CCC[C@@]23CCOC3)cccc1C(F)(F)F ZINC001143929830 1131552947 /nfs/dbraw/zinc/55/29/47/1131552947.db2.gz BVJJGIBHDKVGSW-HNNXBMFYSA-N 0 1 299.336 3.769 20 0 CHADMN CCOC(CNC1(c2ccccc2Cl)CCC1)OCC ZINC000844349903 1131553143 /nfs/dbraw/zinc/55/31/43/1131553143.db2.gz BWMVXZRURQJWCU-UHFFFAOYSA-N 0 1 297.826 3.708 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3occc3c2)cn1 ZINC001138826457 1131553713 /nfs/dbraw/zinc/55/37/13/1131553713.db2.gz YTJWNRUKAWXISE-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN CC[C@@H]1CN(Cc2cncc3ccccc32)[C@H](CC)CO1 ZINC000844386365 1131556024 /nfs/dbraw/zinc/55/60/24/1131556024.db2.gz MQQAIEWTCOBXOT-IAGOWNOFSA-N 0 1 284.403 3.624 20 0 CHADMN C/C=C(\C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1O ZINC001143943648 1131556957 /nfs/dbraw/zinc/55/69/57/1131556957.db2.gz DGMJOBQWTUSLJE-GQCTYLIASA-N 0 1 274.147 3.912 20 0 CHADMN CCOc1ccc(F)c(CN2C[C@@H]3CCC[C@H]3C2)c1F ZINC001143930260 1131557637 /nfs/dbraw/zinc/55/76/37/1131557637.db2.gz DKMOTMIUDCOEQU-RYUDHWBXSA-N 0 1 281.346 3.595 20 0 CHADMN FC(F)Oc1ccccc1CN1CC(c2ccccc2)C1 ZINC001138911330 1131559682 /nfs/dbraw/zinc/55/96/82/1131559682.db2.gz MMRKHQXGOBNXMZ-UHFFFAOYSA-N 0 1 289.325 3.887 20 0 CHADMN COc1ccc(F)c(CN2CCC[C@H](C)[C@H](C)C2)c1F ZINC001143970047 1131560697 /nfs/dbraw/zinc/56/06/97/1131560697.db2.gz FTZNZRDMPDUBAO-NWDGAFQWSA-N 0 1 283.362 3.841 20 0 CHADMN Cc1cc(OCCN2C[C@H]3[C@@H](C2)C3(F)F)ccc1C(C)C ZINC000844449478 1131561783 /nfs/dbraw/zinc/56/17/83/1131561783.db2.gz KFLBJZLRWBWCPD-IYBDPMFKSA-N 0 1 295.373 3.694 20 0 CHADMN CC(=O)c1c(C)cc(C)c(CN2C[C@H]3[C@@H](C2)C3(F)F)c1C ZINC000844452839 1131562528 /nfs/dbraw/zinc/56/25/28/1131562528.db2.gz NYCLTHCYVNZSIV-GASCZTMLSA-N 0 1 293.357 3.511 20 0 CHADMN Cc1c[nH]c(CN2CCC3(CCCc4ccccc43)CC2)n1 ZINC001138936563 1131562625 /nfs/dbraw/zinc/56/26/25/1131562625.db2.gz LVHLFILKEZRDMY-UHFFFAOYSA-N 0 1 295.430 3.588 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844452696 1131562788 /nfs/dbraw/zinc/56/27/88/1131562788.db2.gz MMGOXMQQKXLORR-FXAINCCUSA-N 0 1 257.711 3.598 20 0 CHADMN FC1(F)C[C@@]12CCCN(Cc1ccc(Cl)cc1)C2 ZINC000844433377 1131563488 /nfs/dbraw/zinc/56/34/88/1131563488.db2.gz FTEQRXUTKIBZFU-CYBMUJFWSA-N 0 1 271.738 3.961 20 0 CHADMN COc1ccc(F)c(CN2CCC[C@H]3CCC[C@@H]32)c1F ZINC001143979289 1131565174 /nfs/dbraw/zinc/56/51/74/1131565174.db2.gz YEVAJWRHOSVQNP-RISCZKNCSA-N 0 1 281.346 3.738 20 0 CHADMN COc1ccc(F)c(CN2CCC[C@H]2C(C)C)c1F ZINC001143980355 1131566738 /nfs/dbraw/zinc/56/67/38/1131566738.db2.gz LJXNWWGZINZDKT-ZDUSSCGKSA-N 0 1 269.335 3.594 20 0 CHADMN CC(C)Oc1cccc(CN2CCC[C@](C)(F)C2)c1 ZINC001138983726 1131568573 /nfs/dbraw/zinc/56/85/73/1131568573.db2.gz ZGNKNYUJMYYWSN-INIZCTEOSA-N 0 1 265.372 3.798 20 0 CHADMN Clc1ccc2c(c1)CC[C@H](N1CCn3cccc3C1)C2 ZINC001171128234 1131570945 /nfs/dbraw/zinc/57/09/45/1131570945.db2.gz FWRUEFDYVZNOAJ-INIZCTEOSA-N 0 1 286.806 3.515 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CCCC[C@H]1COC ZINC001139006373 1131571325 /nfs/dbraw/zinc/57/13/25/1131571325.db2.gz STHHKAWBZKVGQE-HNNXBMFYSA-N 0 1 297.826 3.740 20 0 CHADMN CCOc1ccc(Cl)cc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001139011093 1131571873 /nfs/dbraw/zinc/57/18/73/1131571873.db2.gz MASRUWUCKQPTEY-BPNCWPANSA-N 0 1 283.774 3.671 20 0 CHADMN CCOc1c(F)cc(CN2CCC23CCCC3)cc1F ZINC001144020246 1131572756 /nfs/dbraw/zinc/57/27/56/1131572756.db2.gz BLPPVWTZYWNZRQ-UHFFFAOYSA-N 0 1 281.346 3.882 20 0 CHADMN C[C@]1(CO)CC[N@@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC001139052966 1131577264 /nfs/dbraw/zinc/57/72/64/1131577264.db2.gz GVMPLVNHKBDJCE-IBGZPJMESA-N 0 1 297.398 3.683 20 0 CHADMN CCn1ccc2ccc(CN(C)Cc3ccccn3)cc21 ZINC001139119225 1131583153 /nfs/dbraw/zinc/58/31/53/1131583153.db2.gz HNMARUCENIYBSR-UHFFFAOYSA-N 0 1 279.387 3.688 20 0 CHADMN CCn1ccc2ccc(CN3CCO[C@H](C(C)C)C3)cc21 ZINC001139124963 1131584712 /nfs/dbraw/zinc/58/47/12/1131584712.db2.gz XSQPPYHREZSJIO-SFHVURJKSA-N 0 1 286.419 3.518 20 0 CHADMN CCn1ccc2c1cccc2CN1CC[C@](C)(F)[C@H](F)C1 ZINC001139153371 1131586541 /nfs/dbraw/zinc/58/65/41/1131586541.db2.gz RBGVPOUESCLVNF-SJORKVTESA-N 0 1 292.373 3.933 20 0 CHADMN Cn1ccc2c1cccc2CN1CCCC(F)(F)[C@H](F)C1 ZINC001139156336 1131588005 /nfs/dbraw/zinc/58/80/05/1131588005.db2.gz DHTGCBSBBKSCPF-OAHLLOKOSA-N 0 1 296.336 3.748 20 0 CHADMN CCn1ccc2c1cccc2CN1CCc2cccnc2C1 ZINC001139159424 1131589201 /nfs/dbraw/zinc/58/92/01/1131589201.db2.gz YEXOXWWSAQHLGZ-UHFFFAOYSA-N 0 1 291.398 3.615 20 0 CHADMN CCn1ccc2c1cccc2CN1CCCC[C@@H]1C(C)=O ZINC001139158487 1131589294 /nfs/dbraw/zinc/58/92/94/1131589294.db2.gz OSPXYFNJPOFERM-QGZVFWFLSA-N 0 1 284.403 3.605 20 0 CHADMN CN(Cc1ccc(Cl)cc1)Cc1ccc2cc[nH]c2n1 ZINC001144179834 1131594794 /nfs/dbraw/zinc/59/47/94/1131594794.db2.gz VPBKDONLARUZGV-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc3nsnc3c2)Cc2ccccc21 ZINC001139208018 1131597867 /nfs/dbraw/zinc/59/78/67/1131597867.db2.gz KVEILUJKJVDQGS-LBPRGKRZSA-N 0 1 295.411 3.811 20 0 CHADMN C[C@H]1CN(Cc2ccc3nsnc3c2)Cc2ccccc21 ZINC001139208018 1131597872 /nfs/dbraw/zinc/59/78/72/1131597872.db2.gz KVEILUJKJVDQGS-LBPRGKRZSA-N 0 1 295.411 3.811 20 0 CHADMN Fc1ccccc1[C@@H]1CCCN1Cc1ccc2nonc2c1 ZINC001139224355 1131598577 /nfs/dbraw/zinc/59/85/77/1131598577.db2.gz DIXPXFLEIQIHQV-KRWDZBQOSA-N 0 1 297.333 3.699 20 0 CHADMN Clc1nc(-c2ccccc2)[nH]c1CN1CCC[C@@H]2C[C@@H]21 ZINC001139285661 1131600846 /nfs/dbraw/zinc/60/08/46/1131600846.db2.gz ZNDFSJPTZKMCPL-OCCSQVGLSA-N 0 1 287.794 3.714 20 0 CHADMN C[C@@]1(F)CCCN(Cc2ccc3cc(O)ccc3c2)C1 ZINC001139337247 1131602298 /nfs/dbraw/zinc/60/22/98/1131602298.db2.gz PCYPVGYYTPCSNS-QGZVFWFLSA-N 0 1 273.351 3.869 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H](C)c2ccc(Cl)cc2)n1 ZINC000844906474 1131607220 /nfs/dbraw/zinc/60/72/20/1131607220.db2.gz OTXHPSJVHOWEFH-CABZTGNLSA-N 0 1 279.771 3.531 20 0 CHADMN COc1cc(C)nc(CN(C)Cc2ccc(C)c(C)c2)c1 ZINC001171155684 1131608574 /nfs/dbraw/zinc/60/85/74/1131608574.db2.gz ICVNYQLWAOQTRB-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN O=c1ccc(CN2CCC[C@H]2c2cccc(Cl)c2)c[nH]1 ZINC001139469085 1131609734 /nfs/dbraw/zinc/60/97/34/1131609734.db2.gz ISMQAPHWBYEZID-HNNXBMFYSA-N 0 1 288.778 3.778 20 0 CHADMN Clc1ccnc(Cl)c1CN1CC2CCC1CC2 ZINC001139480250 1131610362 /nfs/dbraw/zinc/61/03/62/1131610362.db2.gz YXTLPQJEVWVRNI-UHFFFAOYSA-N 0 1 271.191 3.763 20 0 CHADMN CCC1CCN(Cc2cc(C)cnc2Cl)CC1 ZINC001139589485 1131618329 /nfs/dbraw/zinc/61/83/29/1131618329.db2.gz LSWNAUSIBGSKJZ-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN CCOC(=O)c1[nH]ccc1CN1CCC[C@H]1c1ccccc1 ZINC001144333783 1131618430 /nfs/dbraw/zinc/61/84/30/1131618430.db2.gz JWZPLYKXVNAHBR-INIZCTEOSA-N 0 1 298.386 3.529 20 0 CHADMN CCc1cccc(CN2CC3(C2)CC(F)(F)CS3)c1 ZINC001144326584 1131618653 /nfs/dbraw/zinc/61/86/53/1131618653.db2.gz HLMYGDRICWWFKU-UHFFFAOYSA-N 0 1 283.387 3.576 20 0 CHADMN Cc1cnc(Cl)c(CN2C3CCCC2CCC3)c1 ZINC001139592503 1131619603 /nfs/dbraw/zinc/61/96/03/1131619603.db2.gz UOLNQZLTEJCPEZ-UHFFFAOYSA-N 0 1 264.800 3.950 20 0 CHADMN COc1ccc(CN2[C@@H]3CC[C@H]2CC(=O)C3)cc1C(C)C ZINC001139614759 1131622137 /nfs/dbraw/zinc/62/21/37/1131622137.db2.gz GSOPAPXFAWJVJM-GASCZTMLSA-N 0 1 287.403 3.515 20 0 CHADMN Oc1ccc(CN2CCCCC23CC3)c(C(F)(F)F)c1 ZINC001144391117 1131622360 /nfs/dbraw/zinc/62/23/60/1131622360.db2.gz FZKIREOUAQELBQ-UHFFFAOYSA-N 0 1 285.309 3.930 20 0 CHADMN CCOc1ccc(CN2CC(c3cccnc3)C2)cc1CC ZINC001139623574 1131624301 /nfs/dbraw/zinc/62/43/01/1131624301.db2.gz IZFSMYZBGQFVBA-UHFFFAOYSA-N 0 1 296.414 3.642 20 0 CHADMN CCOc1ccncc1CN1CCC2(CC[C@H](F)C2)CC1 ZINC001139629621 1131624360 /nfs/dbraw/zinc/62/43/60/1131624360.db2.gz SJESUENLZATYIH-HNNXBMFYSA-N 0 1 292.398 3.585 20 0 CHADMN C[C@@H]1CCCN(Cc2ccnc(Cl)c2F)C[C@@H]1C ZINC001139660960 1131626892 /nfs/dbraw/zinc/62/68/92/1131626892.db2.gz JNECSKWFPJZYMZ-MNOVXSKESA-N 0 1 270.779 3.742 20 0 CHADMN Cc1nc2cc(C)ccn2c1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001139675561 1131627901 /nfs/dbraw/zinc/62/79/01/1131627901.db2.gz VALIJOVJRODZNT-HZPDHXFCSA-N 0 1 283.419 3.573 20 0 CHADMN Cc1nc2cc(C)ccn2c1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001139677591 1131628149 /nfs/dbraw/zinc/62/81/49/1131628149.db2.gz OWKYJCZQNYZSFO-JKSUJKDBSA-N 0 1 283.419 3.716 20 0 CHADMN Cc1nc2cc(C)ccn2c1CN1CCC[C@@H]2CCC[C@H]21 ZINC001139677591 1131628151 /nfs/dbraw/zinc/62/81/51/1131628151.db2.gz OWKYJCZQNYZSFO-JKSUJKDBSA-N 0 1 283.419 3.716 20 0 CHADMN Cc1cc(O)cc(C)c1C[N@H+]1CC[C@H]1c1ccccc1 ZINC001139714887 1131631019 /nfs/dbraw/zinc/63/10/19/1131631019.db2.gz PFLMRSMNDHBXGJ-SFHVURJKSA-N 0 1 267.372 3.956 20 0 CHADMN COc1cccc2c1C[N@@H+](Cc1c(C)cc(O)cc1C)CC2 ZINC001139711185 1131631535 /nfs/dbraw/zinc/63/15/35/1131631535.db2.gz CKDPOUIQGBAOST-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN COc1cccc2c1CN(Cc1c(C)cc(O)cc1C)CC2 ZINC001139711185 1131631537 /nfs/dbraw/zinc/63/15/37/1131631537.db2.gz CKDPOUIQGBAOST-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN C[C@@H]1CN(Cc2cnc3cccnc3c2)Cc2ccccc21 ZINC001139741234 1131633043 /nfs/dbraw/zinc/63/30/43/1131633043.db2.gz RQUJLKZMAFDAAX-CQSZACIVSA-N 0 1 289.382 3.749 20 0 CHADMN Cc1ccc(CN2CC3CC(C3)C2)cc1Br ZINC001139731152 1131633781 /nfs/dbraw/zinc/63/37/81/1131633781.db2.gz BKUFBPMTOKZVJG-UHFFFAOYSA-N 0 1 280.209 3.599 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1cnc2cccnc2c1 ZINC001139744026 1131634693 /nfs/dbraw/zinc/63/46/93/1131634693.db2.gz YFFOFYHOJIUXPB-AWEZNQCLSA-N 0 1 289.382 3.577 20 0 CHADMN Oc1ccc2c(c1)CCN(Cc1ccccc1C(F)F)C2 ZINC001139796518 1131636468 /nfs/dbraw/zinc/63/64/68/1131636468.db2.gz ACHOJZIGBFEZIV-UHFFFAOYSA-N 0 1 289.325 3.888 20 0 CHADMN COc1ncc(CN2CCC[C@H]2c2ccccc2C)s1 ZINC001139812731 1131639055 /nfs/dbraw/zinc/63/90/55/1131639055.db2.gz AHYRBWFPMRWBFY-HNNXBMFYSA-N 0 1 288.416 3.797 20 0 CHADMN CCCN(Cc1ccccc1)Cc1cnc(OC)c(F)c1 ZINC001144463829 1131640435 /nfs/dbraw/zinc/64/04/35/1131640435.db2.gz URTRJRUDWVMOTF-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN CC(=O)CN(C)Cc1cccc2c3ccccc3oc21 ZINC001139857963 1131641575 /nfs/dbraw/zinc/64/15/75/1131641575.db2.gz UEVZKMVIKDNYDK-UHFFFAOYSA-N 0 1 267.328 3.607 20 0 CHADMN COc1cc(Cl)cc(CN2CCC(C)CC2)c1 ZINC001144478874 1131641691 /nfs/dbraw/zinc/64/16/91/1131641691.db2.gz OCLGARFSFLBOFS-UHFFFAOYSA-N 0 1 253.773 3.581 20 0 CHADMN c1ccc(C2CC2)c(CN2CCOc3ccccc3C2)c1 ZINC001139882014 1131644974 /nfs/dbraw/zinc/64/49/74/1131644974.db2.gz AFPPYRDGGFFTHY-UHFFFAOYSA-N 0 1 279.383 3.959 20 0 CHADMN Fc1ccc(CN2CCc3ncccc3C2)c2ccccc12 ZINC001139890940 1131648051 /nfs/dbraw/zinc/64/80/51/1131648051.db2.gz JEVYJKMWQPIHDM-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN Fc1ccc(CN2CCc3cccnc3C2)c2ccccc12 ZINC001139891988 1131648190 /nfs/dbraw/zinc/64/81/90/1131648190.db2.gz JCKOKSZPGYJNMS-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN c1coc(CN(Cc2cncc3ccccc32)C2CC2)c1 ZINC001139897228 1131649725 /nfs/dbraw/zinc/64/97/25/1131649725.db2.gz YRHNXJDDZMWLJM-UHFFFAOYSA-N 0 1 278.355 3.992 20 0 CHADMN COc1ccc(C2=CCN(Cc3ccc(C)nc3)CC2)cc1 ZINC001139934337 1131651798 /nfs/dbraw/zinc/65/17/98/1131651798.db2.gz LLUALGAYSZGGRF-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN CCC(=O)Oc1cccc(CN2CCc3ccccc3C2)c1 ZINC000845719821 1131653708 /nfs/dbraw/zinc/65/37/08/1131653708.db2.gz FJDCERDTKVZTQE-UHFFFAOYSA-N 0 1 295.382 3.560 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2cccnn2)cc1C ZINC001139974316 1131654085 /nfs/dbraw/zinc/65/40/85/1131654085.db2.gz ZZUYWJDTYWGQPG-SFHVURJKSA-N 0 1 281.403 3.821 20 0 CHADMN F[C@@H]1CC[N@@H+](Cc2cc3ccccc3cn2)CCC1(F)F ZINC001139994680 1131654582 /nfs/dbraw/zinc/65/45/82/1131654582.db2.gz BUFSKRFXJBUWHY-OAHLLOKOSA-N 0 1 294.320 3.804 20 0 CHADMN F[C@@H]1CCN(Cc2cc3ccccc3cn2)CCC1(F)F ZINC001139994680 1131654587 /nfs/dbraw/zinc/65/45/87/1131654587.db2.gz BUFSKRFXJBUWHY-OAHLLOKOSA-N 0 1 294.320 3.804 20 0 CHADMN CCCC[N@@H+](CCC)Cc1c(F)cc(O)cc1F ZINC001144554044 1131655708 /nfs/dbraw/zinc/65/57/08/1131655708.db2.gz WAOGKMDWXGXZTG-UHFFFAOYSA-N 0 1 257.324 3.683 20 0 CHADMN CCCC[N@@H+](CCC)Cc1c(F)cc([O-])cc1F ZINC001144554044 1131655713 /nfs/dbraw/zinc/65/57/13/1131655713.db2.gz WAOGKMDWXGXZTG-UHFFFAOYSA-N 0 1 257.324 3.683 20 0 CHADMN CCC[C@H]1CCCC[N@@H+]1Cc1c(F)cc([O-])cc1F ZINC001144554981 1131656345 /nfs/dbraw/zinc/65/63/45/1131656345.db2.gz PNXHTXGMJLXVND-NSHDSACASA-N 0 1 269.335 3.825 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1c(F)cc([O-])cc1F ZINC001144554981 1131656346 /nfs/dbraw/zinc/65/63/46/1131656346.db2.gz PNXHTXGMJLXVND-NSHDSACASA-N 0 1 269.335 3.825 20 0 CHADMN CSc1nccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)n1 ZINC001140038127 1131658941 /nfs/dbraw/zinc/65/89/41/1131658941.db2.gz PAAWDNUZVDVOGP-OAHLLOKOSA-N 0 1 299.443 3.578 20 0 CHADMN COc1c(Cl)cccc1CN1CCC[C@@H](F)CC1 ZINC001140056786 1131659627 /nfs/dbraw/zinc/65/96/27/1131659627.db2.gz JKRJKLLMGWQJLL-GFCCVEGCSA-N 0 1 271.763 3.673 20 0 CHADMN Oc1ccc(CN2CCC[C@@H](C(F)F)C2)c(Cl)c1 ZINC001140085490 1131662656 /nfs/dbraw/zinc/66/26/56/1131662656.db2.gz PQGVRWRLNDDODE-SNVBAGLBSA-N 0 1 275.726 3.523 20 0 CHADMN CC1(C)CN(Cc2ccc(O)cc2Cl)CCC1(F)F ZINC001140082675 1131662668 /nfs/dbraw/zinc/66/26/68/1131662668.db2.gz XKOGZIFEFVFDIJ-UHFFFAOYSA-N 0 1 289.753 3.913 20 0 CHADMN C[C@@H]1CCN1Cc1cnc(-c2ccc(F)cc2)s1 ZINC001140094361 1131662817 /nfs/dbraw/zinc/66/28/17/1131662817.db2.gz UXZRISMKJQBVSA-SNVBAGLBSA-N 0 1 262.353 3.543 20 0 CHADMN FC(F)(F)c1ccnc(CN2CC[C@@H]3CCC[C@H]3C2)c1 ZINC001140105173 1131663905 /nfs/dbraw/zinc/66/39/05/1131663905.db2.gz PPNMZLDBPCMJBZ-RYUDHWBXSA-N 0 1 284.325 3.722 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1cc(C(F)(F)F)ccn1 ZINC001140106266 1131664023 /nfs/dbraw/zinc/66/40/23/1131664023.db2.gz CZMYIAUJBBXVOS-WDEREUQCSA-N 0 1 272.314 3.721 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2ncn3ccccc23)cc1 ZINC001144622879 1131668835 /nfs/dbraw/zinc/66/88/35/1131668835.db2.gz OZFBJGPKLFKVDR-SFHVURJKSA-N 0 1 291.398 3.980 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1c[nH]c3cccc(O)c13)C2 ZINC001140237257 1131680943 /nfs/dbraw/zinc/68/09/43/1131680943.db2.gz SAUCUGKAKVTHIL-UHFFFAOYSA-N 0 1 292.382 3.740 20 0 CHADMN Fc1ccc(/C=C\C[N@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000846106349 1131691215 /nfs/dbraw/zinc/69/12/15/1131691215.db2.gz ADNJDTBWQPEMAJ-BGGTVIOKSA-N 0 1 281.321 3.960 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2-c2cccnc2)CCCC1=O ZINC001140314380 1131694350 /nfs/dbraw/zinc/69/43/50/1131694350.db2.gz WFIQHGUCCVBKRE-OAHLLOKOSA-N 0 1 294.398 3.550 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@@H](c1ccccc1F)[C@H](C)O ZINC000846184811 1131696631 /nfs/dbraw/zinc/69/66/31/1131696631.db2.gz VYTALCRDZUVMRU-FASAQXTFSA-N 0 1 299.389 3.833 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCc4ccccc4[C@H]3C)c2c1 ZINC001140328827 1131698604 /nfs/dbraw/zinc/69/86/04/1131698604.db2.gz MFOQDXPGQMNLDI-CQSZACIVSA-N 0 1 291.398 3.991 20 0 CHADMN Cc1ccc2[nH]nc(CN3CCc4ccccc4[C@H]3C)c2c1 ZINC001140328827 1131698607 /nfs/dbraw/zinc/69/86/07/1131698607.db2.gz MFOQDXPGQMNLDI-CQSZACIVSA-N 0 1 291.398 3.991 20 0 CHADMN FC(F)(F)[C@@H]1CCN(Cc2ccc3scnc3c2)C1 ZINC001144739045 1131700173 /nfs/dbraw/zinc/70/01/73/1131700173.db2.gz RBWGLZNVZHHNHF-SNVBAGLBSA-N 0 1 286.322 3.681 20 0 CHADMN c1csc(-c2cccc(CN3CC4(CCC4)C3)c2)n1 ZINC001140331951 1131700583 /nfs/dbraw/zinc/70/05/83/1131700583.db2.gz JULHAMXAENUZIT-UHFFFAOYSA-N 0 1 270.401 3.796 20 0 CHADMN C/C(=C/C[N@H+](Cc1ccc(C(C)C)cc1)C1CC1)C(=O)[O-] ZINC000846233713 1131701504 /nfs/dbraw/zinc/70/15/04/1131701504.db2.gz VKLMOMXQRREIEK-UVTDQMKNSA-N 0 1 287.403 3.805 20 0 CHADMN C/C(=C/C[N@H+]1CCCC[C@H]1CCc1ccccc1)C(=O)[O-] ZINC000846244383 1131702928 /nfs/dbraw/zinc/70/29/28/1131702928.db2.gz IJYANFUXZVIKRQ-KSVUCXBSSA-N 0 1 287.403 3.505 20 0 CHADMN C/C(=C\C[N@H+]1CCC[C@H]1CCC1CCCCC1)C(=O)[O-] ZINC000846254601 1131704149 /nfs/dbraw/zinc/70/41/49/1131704149.db2.gz QVBHBFIAWIDFRL-UKYUDJEDSA-N 0 1 279.424 3.842 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc2ccccc2s1 ZINC000846276181 1131705215 /nfs/dbraw/zinc/70/52/15/1131705215.db2.gz ZOQNXBNIOCUALH-CQSZACIVSA-N 0 1 291.416 3.832 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cc3ccccc3s2)[C@@H](C(=O)[O-])C1 ZINC000846281162 1131705631 /nfs/dbraw/zinc/70/56/31/1131705631.db2.gz UDUBUPDVRITYOB-BXUZGUMPSA-N 0 1 289.400 3.586 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCCc3c(F)cccc32)n(C)n1 ZINC000834815486 1131707574 /nfs/dbraw/zinc/70/75/74/1131707574.db2.gz WCVMAVZOOMRHKR-MLGOLLRUSA-N 0 1 287.382 3.596 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1ccc(-c2ccccn2)cc1 ZINC001140376637 1131707897 /nfs/dbraw/zinc/70/78/97/1131707897.db2.gz GUYKHVPHXUEDLZ-CJNGLKHVSA-N 0 1 270.351 3.681 20 0 CHADMN CCCC[C@H](N[C@H]1CCn2ccnc21)c1ccccc1 ZINC000834835665 1131709656 /nfs/dbraw/zinc/70/96/56/1131709656.db2.gz IIJAOBGXOOWJTQ-HOTGVXAUSA-N 0 1 269.392 3.849 20 0 CHADMN CCCCCCN(C)Cc1nc(-c2ncc(C)s2)no1 ZINC000834876401 1131715699 /nfs/dbraw/zinc/71/56/99/1131715699.db2.gz GREXKUDUOKZXJP-UHFFFAOYSA-N 0 1 294.424 3.514 20 0 CHADMN CC[C@H](N[C@@H](C)c1nccn1CC)c1ccc2c(c1)CCO2 ZINC000834892060 1131720873 /nfs/dbraw/zinc/72/08/73/1131720873.db2.gz AMPARGSSTQOPQW-BBRMVZONSA-N 0 1 299.418 3.640 20 0 CHADMN CCc1ncc(CN[C@H](C)c2cc(C)c(OC)cc2C)o1 ZINC000834898184 1131722173 /nfs/dbraw/zinc/72/21/73/1131722173.db2.gz AAQODBWUQGWSNB-CYBMUJFWSA-N 0 1 288.391 3.713 20 0 CHADMN COc1ccc([C@@H](C)N(C)CC2(Br)CC2)cc1 ZINC000846760291 1131723838 /nfs/dbraw/zinc/72/38/38/1131723838.db2.gz ONHPUAHIUPPNOU-LLVKDONJSA-N 0 1 298.224 3.616 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)CC1(Br)CC1 ZINC000846758769 1131724286 /nfs/dbraw/zinc/72/42/86/1131724286.db2.gz IGDRIBBWHBNMHC-JTQLQIEISA-N 0 1 286.188 3.746 20 0 CHADMN CCCc1ncc(CN[C@H]2CCc3cc(C)ccc32)o1 ZINC000834900236 1131725319 /nfs/dbraw/zinc/72/53/19/1131725319.db2.gz OIDFTADBTBJQCS-INIZCTEOSA-N 0 1 270.376 3.713 20 0 CHADMN CCC[C@@H]1CCCC[C@H]1Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227717148 1131728410 /nfs/dbraw/zinc/72/84/10/1131728410.db2.gz XMNGYQKKVNCHRQ-DMDPSCGWSA-N 0 1 292.379 3.511 20 0 CHADMN CC[C@H](Oc1nc(=O)[nH]c2c1CO[C@H]2C)C1CCCCC1 ZINC001227716042 1131728873 /nfs/dbraw/zinc/72/88/73/1131728873.db2.gz JEZVMYHZRSYUOO-GWCFXTLKSA-N 0 1 292.379 3.511 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cnc3ccc(Cl)cn23)CC1 ZINC001140426637 1131732367 /nfs/dbraw/zinc/73/23/67/1131732367.db2.gz XFVZYPDFAOBDNO-OAHLLOKOSA-N 0 1 295.789 3.702 20 0 CHADMN C[C@@H]1CCN(Cc2cnc3ccc(Cl)cn23)[C@@H](C)C1 ZINC001140431354 1131733291 /nfs/dbraw/zinc/73/32/91/1131733291.db2.gz QIGLHXQTXFAVIH-NEPJUHHUSA-N 0 1 277.799 3.608 20 0 CHADMN Cc1ccc(Cl)nc1CN1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001140443080 1131738087 /nfs/dbraw/zinc/73/80/87/1131738087.db2.gz ZWTOCMHHNVZWKC-MNOVXSKESA-N 0 1 286.753 3.521 20 0 CHADMN Cc1ccc(Cl)nc1CN1CCC(C(C)C)CC1 ZINC001140444229 1131740035 /nfs/dbraw/zinc/74/00/35/1131740035.db2.gz ORLLVGBTKAUHAJ-UHFFFAOYSA-N 0 1 266.816 3.911 20 0 CHADMN CC(=O)[C@@H]1CCCN(Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001140446361 1131740131 /nfs/dbraw/zinc/74/01/31/1131740131.db2.gz HYBHCNQBRHWEQG-GFCCVEGCSA-N 0 1 290.794 3.622 20 0 CHADMN CC(=O)[C@H]1CCCN(Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001140446363 1131740653 /nfs/dbraw/zinc/74/06/53/1131740653.db2.gz HYBHCNQBRHWEQG-LBPRGKRZSA-N 0 1 290.794 3.622 20 0 CHADMN c1nsnc1CN1C[C@@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000846860034 1131745654 /nfs/dbraw/zinc/74/56/54/1131745654.db2.gz BPNSVBINIFIXHO-IXDOHACOSA-N 0 1 299.443 3.696 20 0 CHADMN COc1cccc([C@H](C)NCc2cnc(Cl)c(F)c2)c1 ZINC000846844230 1131749341 /nfs/dbraw/zinc/74/93/41/1131749341.db2.gz XOENXRVLEBCOPO-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN C[C@@]1(CN2CCC=C(c3ccccn3)C2)CC1(Cl)Cl ZINC000846921536 1131759680 /nfs/dbraw/zinc/75/96/80/1131759680.db2.gz AQBWTBGIYRIOTD-AWEZNQCLSA-N 0 1 297.229 3.755 20 0 CHADMN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(O)c(Cl)c1 ZINC001145055911 1131773505 /nfs/dbraw/zinc/77/35/05/1131773505.db2.gz NGZBNVLVHZDLRK-CMPLNLGQSA-N 0 1 281.783 3.600 20 0 CHADMN CCCN1CCN(Cc2cc(Cl)sc2Cl)CC1 ZINC001140589243 1131813558 /nfs/dbraw/zinc/81/35/58/1131813558.db2.gz ZXSWDTFIYXANCG-UHFFFAOYSA-N 0 1 293.263 3.583 20 0 CHADMN COc1cccc([C@@H]2CCCCN2Cc2ccccn2)c1 ZINC001204061970 1131782316 /nfs/dbraw/zinc/78/23/16/1131782316.db2.gz TYPBPZVWBJYHAX-SFHVURJKSA-N 0 1 282.387 3.817 20 0 CHADMN FC(F)(F)Oc1ccc(CN2C[C@@H]3C[C@@H]3C2)cc1Cl ZINC001140558005 1131792402 /nfs/dbraw/zinc/79/24/02/1131792402.db2.gz DXMKUSGBIWGNMW-AOOOYVTPSA-N 0 1 291.700 3.690 20 0 CHADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1cccc(F)c1Cl ZINC001140567588 1131798043 /nfs/dbraw/zinc/79/80/43/1131798043.db2.gz CPTFHTBFELETJW-FUNVUKJBSA-N 0 1 283.774 3.621 20 0 CHADMN Cc1ccc(F)cc1CN1CCN(c2ccccc2C)CC1 ZINC001140588624 1131814435 /nfs/dbraw/zinc/81/44/35/1131814435.db2.gz ZDHUCIMSHPFJGQ-UHFFFAOYSA-N 0 1 298.405 3.765 20 0 CHADMN CCCCCc1cc(C(=O)N2CCC[C@](C)(CC)C2)n[nH]1 ZINC001147873984 1131838994 /nfs/dbraw/zinc/83/89/94/1131838994.db2.gz LCIYOCTWNMTLCB-KRWDZBQOSA-N 0 1 291.439 3.795 20 0 CHADMN C[C@@H]1c2cccn2CCN1Cc1cccc2ccncc21 ZINC001140644258 1131842589 /nfs/dbraw/zinc/84/25/89/1131842589.db2.gz GFLMSLMDZYGASK-CQSZACIVSA-N 0 1 277.371 3.613 20 0 CHADMN Cc1nc2ccc(O[C@@H]3COCc4ccccc43)cc2[nH]1 ZINC001228327751 1131858037 /nfs/dbraw/zinc/85/80/37/1131858037.db2.gz UTNHGKQCCWWKQN-QGZVFWFLSA-N 0 1 280.327 3.522 20 0 CHADMN Cc1nc2ccc(O[C@@H]3CCc4ccccc43)cc2[nH]1 ZINC001228327993 1131858218 /nfs/dbraw/zinc/85/82/18/1131858218.db2.gz YYNVRXCWAYNIKF-QGZVFWFLSA-N 0 1 264.328 3.938 20 0 CHADMN CCOC(=O)c1ccc(CN2CCC[C@@H]2c2ccccc2)[nH]1 ZINC001140688697 1131861731 /nfs/dbraw/zinc/86/17/31/1131861731.db2.gz XZBCDGRHFMJZMA-QGZVFWFLSA-N 0 1 298.386 3.529 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(CC(=O)c1cc(C)[nH]c1C)C1CC1 ZINC000348104534 1131880618 /nfs/dbraw/zinc/88/06/18/1131880618.db2.gz QEYVHPDHGUHQSJ-BXUZGUMPSA-N 0 1 276.424 3.713 20 0 CHADMN c1cc(CN(Cc2ccccc2)Cc2ccncc2)c[nH]1 ZINC001140704809 1131885739 /nfs/dbraw/zinc/88/57/39/1131885739.db2.gz IGKOXQPQIBUCFF-UHFFFAOYSA-N 0 1 277.371 3.612 20 0 CHADMN C[C@@H](Oc1[nH]c(=O)ncc1Cl)c1ccccc1Cl ZINC001228479345 1131891541 /nfs/dbraw/zinc/89/15/41/1131891541.db2.gz DAIMHCOPCDFKSA-SSDOTTSWSA-N 0 1 285.130 3.629 20 0 CHADMN CCCC/C=C/[C@@H](C)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507798 1131899912 /nfs/dbraw/zinc/89/99/12/1131899912.db2.gz VWPFHAQHPHEIQY-XCODYQFDSA-N 0 1 280.759 3.520 20 0 CHADMN COc1ccc(CN2CCC(C)CC2)c(Br)c1 ZINC001140755472 1131907727 /nfs/dbraw/zinc/90/77/27/1131907727.db2.gz HBIYUNILGKGRPI-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN Cc1nn(C)c(C)c1CN(Cc1cccc(C)c1C)C1CC1 ZINC001203064171 1131912048 /nfs/dbraw/zinc/91/20/48/1131912048.db2.gz CXEOMKKSWJLSOW-UHFFFAOYSA-N 0 1 297.446 3.818 20 0 CHADMN Cc1cc(F)ccc1CN1CCCC[C@](C)(F)C1 ZINC001140779243 1131913491 /nfs/dbraw/zinc/91/34/91/1131913491.db2.gz FSTHCISZKGQRGM-HNNXBMFYSA-N 0 1 253.336 3.848 20 0 CHADMN Fc1cc(F)c2c(c1)C[C@@H](N1CCCC[C@H](F)C1)CC2 ZINC001171367521 1131916086 /nfs/dbraw/zinc/91/60/86/1131916086.db2.gz WKXDQEDGPWHQTJ-JSGCOSHPSA-N 0 1 283.337 3.646 20 0 CHADMN Cc1cc(F)ccc1CN1CC[C@@H]1COCc1ccccc1 ZINC001140782094 1131916335 /nfs/dbraw/zinc/91/63/35/1131916335.db2.gz FWTHJIINQHFRBQ-LJQANCHMSA-N 0 1 299.389 3.925 20 0 CHADMN COc1ccc(CN(C)Cc2cc(O)cc(Cl)c2)cc1 ZINC001140787583 1131919995 /nfs/dbraw/zinc/91/99/95/1131919995.db2.gz OSPIXFYBKUCYRF-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN CCC(CC)N(C)Cc1c(F)cc(OC)cc1F ZINC001140828698 1131938755 /nfs/dbraw/zinc/93/87/55/1131938755.db2.gz WCVQLHNQNDKABV-UHFFFAOYSA-N 0 1 257.324 3.594 20 0 CHADMN C[C@H](Oc1ccc2[nH]nnc2c1)c1ccc(Cl)cc1 ZINC001228663379 1131929794 /nfs/dbraw/zinc/92/97/94/1131929794.db2.gz BTDWYJGDFWBUTQ-VIFPVBQESA-N 0 1 273.723 3.751 20 0 CHADMN Fc1cccc(CN[C@H]2CCSc3ccccc32)n1 ZINC000773084483 1131938092 /nfs/dbraw/zinc/93/80/92/1131938092.db2.gz CCCHRLSUQYBNEC-ZDUSSCGKSA-N 0 1 274.364 3.547 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc(F)n2)cc1F ZINC000773088616 1131941272 /nfs/dbraw/zinc/94/12/72/1131941272.db2.gz PQFVUQPHWBYVCB-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN Cc1cccc2c1[C@@H](C)C[C@H]2NCc1cccc(F)n1 ZINC000773097396 1131946371 /nfs/dbraw/zinc/94/63/71/1131946371.db2.gz SUJSQUYSYWHBHJ-SWLSCSKDSA-N 0 1 270.351 3.867 20 0 CHADMN Cc1c[nH]c(CN2CCC(C(=O)c3ccccc3)CC2)c1C ZINC001140857307 1131949514 /nfs/dbraw/zinc/94/95/14/1131949514.db2.gz UZUNPXZRKAKTKA-UHFFFAOYSA-N 0 1 296.414 3.726 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)N[C@H](C)c1ccc[nH]1 ZINC000773117290 1131949577 /nfs/dbraw/zinc/94/95/77/1131949577.db2.gz ICJMRMCNSIEDTP-CHWSQXEVSA-N 0 1 258.365 3.744 20 0 CHADMN CN(CCc1ccccc1Cl)Cc1c(N)cccc1F ZINC001140875248 1131954144 /nfs/dbraw/zinc/95/41/44/1131954144.db2.gz DBLLLYYJQXERHA-UHFFFAOYSA-N 0 1 292.785 3.736 20 0 CHADMN CC[N@@H+](Cc1ccc([O-])c(F)c1F)C1CCCCC1 ZINC001140889609 1131957710 /nfs/dbraw/zinc/95/77/10/1131957710.db2.gz ILBAEVQDPYLSDF-UHFFFAOYSA-N 0 1 269.335 3.825 20 0 CHADMN [O-]c1ccc(C[N@H+]2CCCc3ccccc3C2)c(F)c1F ZINC001140894042 1131958677 /nfs/dbraw/zinc/95/86/77/1131958677.db2.gz OWGQERLLXFAWOO-UHFFFAOYSA-N 0 1 289.325 3.619 20 0 CHADMN Oc1ccc(CN2CCCc3ccccc3C2)c(F)c1F ZINC001140894042 1131958681 /nfs/dbraw/zinc/95/86/81/1131958681.db2.gz OWGQERLLXFAWOO-UHFFFAOYSA-N 0 1 289.325 3.619 20 0 CHADMN C[C@@H]1CCCCN(Cc2cnccc2C(F)(F)F)C1 ZINC001140915407 1131960987 /nfs/dbraw/zinc/96/09/87/1131960987.db2.gz LQMNPSFAGJWQNM-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN C[C@@H]1CCN(Cc2cnccc2C(F)(F)F)[C@@H](C)C1 ZINC001140919532 1131963320 /nfs/dbraw/zinc/96/33/20/1131963320.db2.gz VAVVOLYKOLOJCU-MNOVXSKESA-N 0 1 272.314 3.721 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cnccc1C(F)(F)F ZINC001140919663 1131964092 /nfs/dbraw/zinc/96/40/92/1131964092.db2.gz ZUZXNBXBDYXJDB-GFCCVEGCSA-N 0 1 272.314 3.865 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H]2CCC[C@@H]3CCCC[C@@H]23)n1 ZINC000714452846 1131973629 /nfs/dbraw/zinc/97/36/29/1131973629.db2.gz MFSPCWAGRDUCCA-DGAVXFQQSA-N 0 1 277.412 3.799 20 0 CHADMN Fc1cccc2c1CC[C@H](NCc1ncc(Cl)s1)C2 ZINC001171409209 1131977561 /nfs/dbraw/zinc/97/75/61/1131977561.db2.gz CPOMPEREDOWSFI-JTQLQIEISA-N 0 1 296.798 3.583 20 0 CHADMN c1coc(CN2CCC3(CCCc4ccccc43)CC2)n1 ZINC001141004881 1131983811 /nfs/dbraw/zinc/98/38/11/1131983811.db2.gz QFXSSNNLXHSDEZ-UHFFFAOYSA-N 0 1 282.387 3.545 20 0 CHADMN C[C@H]1C[C@@H](Oc2nnc3c[nH]ccc2-3)CC(C)(C)C1 ZINC001228989836 1131993046 /nfs/dbraw/zinc/99/30/46/1131993046.db2.gz KRCKFTPKJUVEEW-WDEREUQCSA-N 0 1 259.353 3.552 20 0 CHADMN Clc1ccc2c(c1)CC[C@@H]2Oc1nnc2c[nH]ccc1-2 ZINC001228990906 1131993553 /nfs/dbraw/zinc/99/35/53/1131993553.db2.gz UUMKHXLLHGDPCM-AWEZNQCLSA-N 0 1 285.734 3.678 20 0 CHADMN Fc1cccc([C@H]2CCCN2Cc2ccn3ccnc3c2)c1 ZINC001141044433 1131993795 /nfs/dbraw/zinc/99/37/95/1131993795.db2.gz KAEFUVACFANRDD-QGZVFWFLSA-N 0 1 295.361 3.811 20 0 CHADMN CC[C@H](Oc1nnc2c[nH]ccc1-2)C1CCCCC1 ZINC001228994587 1131994809 /nfs/dbraw/zinc/99/48/09/1131994809.db2.gz GRWZJTSYIXKFPZ-AWEZNQCLSA-N 0 1 259.353 3.696 20 0 CHADMN CC[C@@H](Oc1nnc2c[nH]ccc1-2)C1CCCCC1 ZINC001228994588 1131995391 /nfs/dbraw/zinc/99/53/91/1131995391.db2.gz GRWZJTSYIXKFPZ-CQSZACIVSA-N 0 1 259.353 3.696 20 0 CHADMN C[C@@H](N[C@H]1CCc2c1cccc2F)c1ccns1 ZINC000715956420 1131998137 /nfs/dbraw/zinc/99/81/37/1131998137.db2.gz VTYDVZONXYYXPC-RNCFNFMXSA-N 0 1 262.353 3.620 20 0 CHADMN CCCCc1ncc(CN(C)Cc2ccc(F)cc2)[nH]1 ZINC001141067118 1132000742 /nfs/dbraw/zinc/00/07/42/1132000742.db2.gz SICUWZRVMXQUTA-UHFFFAOYSA-N 0 1 275.371 3.523 20 0 CHADMN CCCCc1nc(CN2CC[C@@H](C)C(F)(F)CC2)c[nH]1 ZINC001141067601 1132002624 /nfs/dbraw/zinc/00/26/24/1132002624.db2.gz IPJJBRAAVIKXII-GFCCVEGCSA-N 0 1 285.382 3.620 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccns1)c1ccc2c(c1)CCO2 ZINC000716047961 1132003148 /nfs/dbraw/zinc/00/31/48/1132003148.db2.gz NVGNLEFKVANBKE-SMDDNHRTSA-N 0 1 288.416 3.880 20 0 CHADMN CCCCc1nc(CN2CC[C@H](C)C(F)(F)CC2)c[nH]1 ZINC001141067602 1132003852 /nfs/dbraw/zinc/00/38/52/1132003852.db2.gz IPJJBRAAVIKXII-LBPRGKRZSA-N 0 1 285.382 3.620 20 0 CHADMN CC(C)(C)c1cccc(CN2CCc3cnccc3C2)c1 ZINC001141102867 1132016122 /nfs/dbraw/zinc/01/61/22/1132016122.db2.gz SDZDNSUCTYQJIL-UHFFFAOYSA-N 0 1 280.415 3.937 20 0 CHADMN CN(Cc1cccs1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001141154894 1132029535 /nfs/dbraw/zinc/02/95/35/1132029535.db2.gz QSQLBADAICPZRO-UHFFFAOYSA-N 0 1 297.326 3.702 20 0 CHADMN FC(F)(F)c1ccc([C@@H]2CCCN2Cc2cn[nH]c2)cc1 ZINC001203099881 1132033830 /nfs/dbraw/zinc/03/38/30/1132033830.db2.gz XNIWTUHRPWRMPQ-AWEZNQCLSA-N 0 1 295.308 3.766 20 0 CHADMN CC(=O)CC(C)(C)Nc1cccc(N2CCCC[C@H]2C)n1 ZINC001171497403 1132040193 /nfs/dbraw/zinc/04/01/93/1132040193.db2.gz PWMVRGXBDYTELK-CYBMUJFWSA-N 0 1 289.423 3.630 20 0 CHADMN CC[C@@H]1CCN(Cc2cc(C(F)(F)F)ccc2OC)C1 ZINC001141205158 1132042083 /nfs/dbraw/zinc/04/20/83/1132042083.db2.gz YHZVWBJOERZBOT-LLVKDONJSA-N 0 1 287.325 3.946 20 0 CHADMN Fc1cc2c(cc1F)C[C@@H](N1CCCC[C@H](F)C1)CC2 ZINC001171477756 1132044505 /nfs/dbraw/zinc/04/45/05/1132044505.db2.gz UYPIKIFJZKYFHU-KBPBESRZSA-N 0 1 283.337 3.646 20 0 CHADMN COc1cccc(CN2CCC3(CC[C@@H](F)C3)CC2)c1F ZINC001141222495 1132046377 /nfs/dbraw/zinc/04/63/77/1132046377.db2.gz FCGJPZPWZDAWHR-CQSZACIVSA-N 0 1 295.373 3.939 20 0 CHADMN CC(C)CCCN1CCN(c2c(F)cccc2F)CC1 ZINC001171511015 1132047344 /nfs/dbraw/zinc/04/73/44/1132047344.db2.gz NTGHXASYZGIUSS-UHFFFAOYSA-N 0 1 282.378 3.523 20 0 CHADMN Cc1cc(Cl)ccc1CN(CCO)Cc1cccs1 ZINC001141231542 1132052465 /nfs/dbraw/zinc/05/24/65/1132052465.db2.gz WJZZZFYSCQHSST-UHFFFAOYSA-N 0 1 295.835 3.704 20 0 CHADMN Cc1cccc2c1CC[C@H](N1Cc3cnc(Cl)cc3C1)C2 ZINC001171577123 1132060945 /nfs/dbraw/zinc/06/09/45/1132060945.db2.gz BXMOCDAOHINJLP-INIZCTEOSA-N 0 1 298.817 3.917 20 0 CHADMN CC(C)[N@@H+]1CC[C@H](Oc2cc([O-])c(Cl)cc2Cl)C1 ZINC001229411677 1132065145 /nfs/dbraw/zinc/06/51/45/1132065145.db2.gz UZXFIEAQTSTXSZ-VIFPVBQESA-N 0 1 290.190 3.561 20 0 CHADMN CC(C)[N@H+]1CC[C@H](Oc2cc([O-])c(Cl)cc2Cl)C1 ZINC001229411677 1132065152 /nfs/dbraw/zinc/06/51/52/1132065152.db2.gz UZXFIEAQTSTXSZ-VIFPVBQESA-N 0 1 290.190 3.561 20 0 CHADMN Cc1nc2[nH]cnc2c(O[C@H](C)c2csc(Cl)c2)n1 ZINC001229440865 1132068399 /nfs/dbraw/zinc/06/83/99/1132068399.db2.gz PNXUUKIEXNJTEZ-ZCFIWIBFSA-N 0 1 294.767 3.516 20 0 CHADMN CC[C@@H]1CO[C@@H](CC)CN1Cc1cnc2ccc(C)cc2c1 ZINC001171779532 1132097621 /nfs/dbraw/zinc/09/76/21/1132097621.db2.gz ZHCJCCOYDOGRQO-MSOLQXFVSA-N 0 1 298.430 3.933 20 0 CHADMN CN(Cc1cnc(Cl)s1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171795619 1132102513 /nfs/dbraw/zinc/10/25/13/1132102513.db2.gz ZWFXJXNHCURTNV-SNVBAGLBSA-N 0 1 296.798 3.535 20 0 CHADMN COc1ccc2nc(O[C@@H](C)c3cccc(F)c3)[nH]c2c1 ZINC001229730021 1132110880 /nfs/dbraw/zinc/11/08/80/1132110880.db2.gz OPPBWDBUDWKDIN-JTQLQIEISA-N 0 1 286.306 3.851 20 0 CHADMN COc1ccc2nc(O[C@@H]3CCc4cc(C)ccc43)[nH]c2c1 ZINC001229727229 1132111362 /nfs/dbraw/zinc/11/13/62/1132111362.db2.gz ODENIUYTKPTKBS-QGZVFWFLSA-N 0 1 294.354 3.946 20 0 CHADMN C1=CC=C(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[CH]1 ZINC001172076825 1132123054 /nfs/dbraw/zinc/12/30/54/1132123054.db2.gz MIZWXLWVNTZDJE-OWZKRDHZSA-N 0 1 293.434 3.820 20 0 CHADMN Cc1ccc([C@H](C)Oc2ccc(F)cc2CN(C)C)cn1 ZINC001229858235 1132125141 /nfs/dbraw/zinc/12/51/41/1132125141.db2.gz JSRMGRDTSHFMDA-ZDUSSCGKSA-N 0 1 288.366 3.731 20 0 CHADMN C[C@@H]1CCC[C@H](Oc2ccc(F)cc2CN(C)C)C1 ZINC001229855151 1132125829 /nfs/dbraw/zinc/12/58/29/1132125829.db2.gz UGHXDXTYVBLZMO-DOMZBBRYSA-N 0 1 265.372 3.845 20 0 CHADMN Clc1cccnc1CN[C@@H]1CSc2ccccc2C1 ZINC001172184092 1132136418 /nfs/dbraw/zinc/13/64/18/1132136418.db2.gz JEPKARNBRVUVME-LBPRGKRZSA-N 0 1 290.819 3.542 20 0 CHADMN CC[C@H](Oc1nc[nH]c(=O)c1Cl)c1cccc(F)c1C ZINC001230015838 1132145356 /nfs/dbraw/zinc/14/53/56/1132145356.db2.gz DFDQAQVCMNDTPK-NSHDSACASA-N 0 1 296.729 3.813 20 0 CHADMN c1ccc2oc(CN[C@H]3CSc4ccccc4C3)nc2c1 ZINC001172194612 1132146254 /nfs/dbraw/zinc/14/62/54/1132146254.db2.gz UNAYLHLZEPVSBJ-CYBMUJFWSA-N 0 1 296.395 3.634 20 0 CHADMN CC1(C)C[C@H](NCc2c(F)cccc2C(F)(F)F)CO1 ZINC001172274799 1132149662 /nfs/dbraw/zinc/14/96/62/1132149662.db2.gz BVMWJBMNLFWDJO-VIFPVBQESA-N 0 1 291.288 3.502 20 0 CHADMN CC(C)(NCc1ccc2c(n1)CCC2)c1ccc(F)cc1 ZINC000838928496 1132160053 /nfs/dbraw/zinc/16/00/53/1132160053.db2.gz BYTOSILLBCNOGA-UHFFFAOYSA-N 0 1 284.378 3.734 20 0 CHADMN CC(C)(C)N1CC(Oc2ccc3cccc(F)c3c2)C1 ZINC001230212302 1132161170 /nfs/dbraw/zinc/16/11/70/1132161170.db2.gz QIBKWGAJUYWMTJ-UHFFFAOYSA-N 0 1 273.351 3.840 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@H](c1cccnc1)C1CC1 ZINC001230224922 1132161879 /nfs/dbraw/zinc/16/18/79/1132161879.db2.gz CLCORCGZERSEIO-KRWDZBQOSA-N 0 1 279.343 3.796 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@H]1CCOc2ccccc21 ZINC001230224879 1132162052 /nfs/dbraw/zinc/16/20/52/1132162052.db2.gz BOFUOPUSMVUUMV-INIZCTEOSA-N 0 1 280.327 3.774 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@H](C)c1cccnc1F ZINC001230225036 1132162212 /nfs/dbraw/zinc/16/22/12/1132162212.db2.gz GCWQSHGNQAZIMN-SNVBAGLBSA-N 0 1 271.295 3.545 20 0 CHADMN CC1(C)C[C@@H](N2CCC[C@H]2c2ccc(F)cc2F)CO1 ZINC001172293882 1132165845 /nfs/dbraw/zinc/16/58/45/1132165845.db2.gz TYYVUEXIYINDRO-DOMZBBRYSA-N 0 1 281.346 3.669 20 0 CHADMN Cc1nc([C@@H]2CCCCN2[C@@H]2CC[C@@H](C)[C@@H](C)C2)no1 ZINC001172372720 1132167312 /nfs/dbraw/zinc/16/73/12/1132167312.db2.gz GUGNIGGHCSOGJL-OSRDXIQISA-N 0 1 277.412 3.730 20 0 CHADMN C[C@@H]1CC[C@H](N2CCc3ncc(Cl)cc3C2)C[C@H]1C ZINC001172378879 1132170212 /nfs/dbraw/zinc/17/02/12/1132170212.db2.gz MXBKPERQZOPSLM-JMSVASOKSA-N 0 1 278.827 3.918 20 0 CHADMN c1nc(C[N@@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)c[nH]1 ZINC000839185232 1132187925 /nfs/dbraw/zinc/18/79/25/1132187925.db2.gz XZXROQOWDLCPSH-KRWDZBQOSA-N 0 1 281.403 3.917 20 0 CHADMN Clc1ccc2c(CN3CCc4ncccc4C3)c[nH]c2c1 ZINC001141586122 1132191411 /nfs/dbraw/zinc/19/14/11/1132191411.db2.gz RXWDVVYXXYWUCP-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN CCC[C@H](C(=O)c1ccccc1)N(C)[C@H](C)CCOCC ZINC001172428165 1132205192 /nfs/dbraw/zinc/20/51/92/1132205192.db2.gz YRYAAFWVJFAMSS-NVXWUHKLSA-N 0 1 291.435 3.785 20 0 CHADMN CC1(F)CCN(Cc2cc3cccnc3cc2F)CC1 ZINC001141623845 1132214444 /nfs/dbraw/zinc/21/44/44/1132214444.db2.gz VIZIFWKEMTUYDO-UHFFFAOYSA-N 0 1 276.330 3.698 20 0 CHADMN Cc1ccc2c(c1)nc(=O)[nH]c2O[C@@H](C)c1ccccc1 ZINC001230887325 1132223481 /nfs/dbraw/zinc/22/34/81/1132223481.db2.gz YJSZBNWDSYKAKA-LBPRGKRZSA-N 0 1 280.327 3.784 20 0 CHADMN Fc1ccc2nc(C[N@H+]3CCc4ccsc4C3)ccc2c1 ZINC001141648729 1132223992 /nfs/dbraw/zinc/22/39/92/1132223992.db2.gz CIVDEEJLLLNQAU-UHFFFAOYSA-N 0 1 298.386 3.994 20 0 CHADMN Fc1ccc2nc(CN3CCc4ccsc4C3)ccc2c1 ZINC001141648729 1132223997 /nfs/dbraw/zinc/22/39/97/1132223997.db2.gz CIVDEEJLLLNQAU-UHFFFAOYSA-N 0 1 298.386 3.994 20 0 CHADMN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)[C@@H]1CCN1C(C)(C)C ZINC001141661624 1132229228 /nfs/dbraw/zinc/22/92/28/1132229228.db2.gz HKVGFKAWDZQUJQ-KFWWJZLASA-N 0 1 294.483 3.532 20 0 CHADMN C[C@@H](COc1ccccc1)Oc1cc2[nH]ncc2c(F)c1 ZINC001230930313 1132230139 /nfs/dbraw/zinc/23/01/39/1132230139.db2.gz BODSFNIBZGNLMB-NSHDSACASA-N 0 1 286.306 3.548 20 0 CHADMN COc1cccc([C@H](C)Oc2cc3[nH]ncc3c(F)c2)c1 ZINC001230931936 1132230306 /nfs/dbraw/zinc/23/03/06/1132230306.db2.gz SPAVGOWPWVACKN-JTQLQIEISA-N 0 1 286.306 3.851 20 0 CHADMN CC(C)OCC[C@H](C)N1CCc2c3ccccc3oc2C1 ZINC001172456817 1132238817 /nfs/dbraw/zinc/23/88/17/1132238817.db2.gz POMQELBHRSILIW-AWEZNQCLSA-N 0 1 287.403 3.995 20 0 CHADMN Cc1nc([C@H](C)Sc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000839973976 1132244525 /nfs/dbraw/zinc/24/45/25/1132244525.db2.gz MZGDAIANYRSOCL-ZETCQYMHSA-N 0 1 287.310 3.985 20 0 CHADMN Cc1cc([C@H]2CCCN2[C@@H](C)CCOCC(C)C)no1 ZINC001172466277 1132244599 /nfs/dbraw/zinc/24/45/99/1132244599.db2.gz HNZGRFBEOCGYEI-XJKSGUPXSA-N 0 1 280.412 3.571 20 0 CHADMN C[C@@H]1CN(Cc2ccc3c(c2)Cc2ccccc2-3)C[C@@H](C)O1 ZINC001141735173 1132244673 /nfs/dbraw/zinc/24/46/73/1132244673.db2.gz XUVLIXAYIGCHMN-HUUCEWRRSA-N 0 1 293.410 3.867 20 0 CHADMN CCC(CC)Oc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC001231044369 1132246397 /nfs/dbraw/zinc/24/63/97/1132246397.db2.gz IDZLYDNNBPMYOR-UHFFFAOYSA-N 0 1 274.151 3.832 20 0 CHADMN CCCCN(Cn1ccsc1=O)[C@@H]1CCC[C@@H](C)C1 ZINC000840091461 1132247213 /nfs/dbraw/zinc/24/72/13/1132247213.db2.gz XCCMCKUKFHFDQG-ZIAGYGMSSA-N 0 1 282.453 3.548 20 0 CHADMN Clc1cc2nc(O[C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c(Cl)n1 ZINC001231047798 1132247909 /nfs/dbraw/zinc/24/79/09/1132247909.db2.gz CPZORVKAHIMHSN-LKEWCRSYSA-N 0 1 296.157 3.608 20 0 CHADMN Cc1cnc(=S)n(CN2CC[C@@H](CC(C)(C)C)C2)c1 ZINC000840148949 1132248100 /nfs/dbraw/zinc/24/81/00/1132248100.db2.gz CCPJXBRCLOTMNC-ZDUSSCGKSA-N 0 1 279.453 3.637 20 0 CHADMN Cc1c(Cl)cccc1C(=O)Nc1ccc(F)c(F)c1O ZINC001141880321 1132260177 /nfs/dbraw/zinc/26/01/77/1132260177.db2.gz UMVDQVXOSADTAM-UHFFFAOYSA-N 0 1 297.688 3.885 20 0 CHADMN CCOC(=O)CN(CC)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172549388 1132262184 /nfs/dbraw/zinc/26/21/84/1132262184.db2.gz OSBWBMRWJVUKFR-SJORKVTESA-N 0 1 289.419 3.598 20 0 CHADMN CN(Cc1ncccn1)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172543251 1132277227 /nfs/dbraw/zinc/27/72/27/1132277227.db2.gz FPMKZSMZMQYJQA-IAGOWNOFSA-N 0 1 281.403 3.635 20 0 CHADMN Cn1ncc2c1CN([C@@H]1CCC[C@@H](c3ccccc3)C1)CC2 ZINC001172548191 1132280260 /nfs/dbraw/zinc/28/02/60/1132280260.db2.gz BCBNQGKOZYJAPA-SJLPKXTDSA-N 0 1 295.430 3.505 20 0 CHADMN Cc1onc(-c2ccccc2)c1CN1CCC[C@](C)(F)C1 ZINC001141978676 1132284519 /nfs/dbraw/zinc/28/45/19/1132284519.db2.gz HFCJQPZXXVPFAW-KRWDZBQOSA-N 0 1 288.366 3.974 20 0 CHADMN CO[C@@H]1CCN(Cc2sccc2Oc2ccccc2)C1 ZINC001141994539 1132288874 /nfs/dbraw/zinc/28/88/74/1132288874.db2.gz OTFAIIMWHZTRMH-CQSZACIVSA-N 0 1 289.400 3.761 20 0 CHADMN CC[C@@H]1COCCN1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001231442386 1132293795 /nfs/dbraw/zinc/29/37/95/1132293795.db2.gz MGRWBCQYHNFSAZ-GOSISDBHSA-N 0 1 298.430 3.517 20 0 CHADMN CSc1ccc(CN(C)C2CC(F)(F)C2)s1 ZINC001142018776 1132295922 /nfs/dbraw/zinc/29/59/22/1132295922.db2.gz UCENKYVEZTXKPI-UHFFFAOYSA-N 0 1 263.378 3.700 20 0 CHADMN Cc1c(F)ccc(CN2CCC3(CC3)CC2)c1F ZINC001231476807 1132297186 /nfs/dbraw/zinc/29/71/86/1132297186.db2.gz UTOJSNJXQMYDNA-UHFFFAOYSA-N 0 1 251.320 3.649 20 0 CHADMN CSc1ccc(CN2CC[C@@H](C(F)(F)F)C2)s1 ZINC001142027609 1132301380 /nfs/dbraw/zinc/30/13/80/1132301380.db2.gz BYVPTXDQZPKPRB-MRVPVSSYSA-N 0 1 281.368 3.854 20 0 CHADMN C[C@H](N[C@@H](C)[C@H]1CC1(F)F)c1c(F)cccc1F ZINC000840883333 1132302153 /nfs/dbraw/zinc/30/21/53/1132302153.db2.gz VDUODEGNUBZBHS-XHNCKOQMSA-N 0 1 261.262 3.659 20 0 CHADMN CSc1ccc(CNc2nccn2C2CC2)cc1 ZINC000840888838 1132303778 /nfs/dbraw/zinc/30/37/78/1132303778.db2.gz IENCRWVRZUFRDY-UHFFFAOYSA-N 0 1 259.378 3.552 20 0 CHADMN Cc1nc2c(o1)CCN(C1CCC3(CCCC3)CC1)C2 ZINC001172731077 1132305361 /nfs/dbraw/zinc/30/53/61/1132305361.db2.gz VCHGJABYBWVVKF-UHFFFAOYSA-N 0 1 274.408 3.844 20 0 CHADMN CCc1ccc(CN(C)Cc2cnc3ccccn23)s1 ZINC001231498624 1132306085 /nfs/dbraw/zinc/30/60/85/1132306085.db2.gz CHFKLSWHQCBVRT-UHFFFAOYSA-N 0 1 285.416 3.590 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3ccccc3)c2)C[C@H](C)O1 ZINC001231509468 1132309952 /nfs/dbraw/zinc/30/99/52/1132309952.db2.gz YZIUARFLPIWZMR-IYBDPMFKSA-N 0 1 281.399 3.963 20 0 CHADMN CCN(c1ccc2nc(C)[nH]c2c1)c1ccccc1N ZINC001213074076 1132310125 /nfs/dbraw/zinc/31/01/25/1132310125.db2.gz BLWMMARODZFJEL-UHFFFAOYSA-N 0 1 266.348 3.612 20 0 CHADMN Clc1ccccc1CN1CC[C@@H](OCC2CCC2)C1 ZINC001206175502 1132312487 /nfs/dbraw/zinc/31/24/87/1132312487.db2.gz CWSVOWVYXXBOCC-OAHLLOKOSA-N 0 1 279.811 3.731 20 0 CHADMN Brc1c[nH]c(CN2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC001231573462 1132315967 /nfs/dbraw/zinc/31/59/67/1132315967.db2.gz BVFKOVXMYUNIPF-FZMZJTMJSA-N 0 1 297.240 3.932 20 0 CHADMN COc1cc(F)ccc1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001231604278 1132325048 /nfs/dbraw/zinc/32/50/48/1132325048.db2.gz XNORSXNNQDYDCK-CJNGLKHVSA-N 0 1 277.383 3.989 20 0 CHADMN C[C@@H](Cc1c(F)cccc1Cl)N1CC2(C1)CCOCC2 ZINC001172854753 1132341326 /nfs/dbraw/zinc/34/13/26/1132341326.db2.gz XSTQNCDSWSIQQH-LBPRGKRZSA-N 0 1 297.801 3.523 20 0 CHADMN CCc1coc(CN[C@@H](C)Cc2ccc(F)cc2Cl)n1 ZINC001172855060 1132341496 /nfs/dbraw/zinc/34/14/96/1132341496.db2.gz UPFQARGPOJDBGT-JTQLQIEISA-N 0 1 296.773 3.750 20 0 CHADMN O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1ccc(O)c(Cl)c1 ZINC001142215320 1132343658 /nfs/dbraw/zinc/34/36/58/1132343658.db2.gz SEWJQPSYMQYFKU-CHWSQXEVSA-N 0 1 293.794 3.602 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cc2cc[nH]c2cn1 ZINC001231669356 1132343690 /nfs/dbraw/zinc/34/36/90/1132343690.db2.gz HMKFGABEPGNHPY-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN COCc1ccc(CN(C)C/C=C/c2ccccc2)o1 ZINC001231693337 1132343764 /nfs/dbraw/zinc/34/37/64/1132343764.db2.gz IHENHQZTIYHBCA-RMKNXTFCSA-N 0 1 271.360 3.571 20 0 CHADMN C[C@]1(CF)CCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC001231680455 1132343784 /nfs/dbraw/zinc/34/37/84/1132343784.db2.gz PYRWGYHONXZKSR-MRXNPFEDSA-N 0 1 290.407 3.992 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001172858886 1132343986 /nfs/dbraw/zinc/34/39/86/1132343986.db2.gz WNBVOINVAOEELM-BFQNTYOBSA-N 0 1 297.801 3.521 20 0 CHADMN COc1cc(Cl)c(CN2C[C@@H](C)CC23CC3)c(OC)c1 ZINC001231697595 1132346043 /nfs/dbraw/zinc/34/60/43/1132346043.db2.gz FMCZCRQLZACKFZ-NSHDSACASA-N 0 1 295.810 3.732 20 0 CHADMN CCC(CC)N(C)Cc1c(Cl)cc(OC)cc1OC ZINC001231698903 1132348343 /nfs/dbraw/zinc/34/83/43/1132348343.db2.gz DNHSHBVCYBJMJX-UHFFFAOYSA-N 0 1 285.815 3.978 20 0 CHADMN COc1cc(Cl)c(CN2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC001231698178 1132348406 /nfs/dbraw/zinc/34/84/06/1132348406.db2.gz PFMXHCRTALRCMZ-TXEJJXNPSA-N 0 1 297.826 3.835 20 0 CHADMN C[C@@H]1CC[N@H+](Cc2ccc(Cl)c([O-])c2)[C@H](C)C1 ZINC001231734193 1132349663 /nfs/dbraw/zinc/34/96/63/1132349663.db2.gz RIYCVTHTAFZURE-GHMZBOCLSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([O-])c2)[C@H](C)C1 ZINC001231734193 1132349671 /nfs/dbraw/zinc/34/96/71/1132349671.db2.gz RIYCVTHTAFZURE-GHMZBOCLSA-N 0 1 253.773 3.666 20 0 CHADMN CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([O-])c2)C1 ZINC001231737951 1132351605 /nfs/dbraw/zinc/35/16/05/1132351605.db2.gz ZFSMBFLHEVHENL-LLVKDONJSA-N 0 1 253.773 3.668 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([O-])c2)C1 ZINC001231737951 1132351611 /nfs/dbraw/zinc/35/16/11/1132351611.db2.gz ZFSMBFLHEVHENL-LLVKDONJSA-N 0 1 253.773 3.668 20 0 CHADMN CC(C)Oc1ncccc1CN1CC[C@@H](C)C(F)(F)CC1 ZINC001231754709 1132354538 /nfs/dbraw/zinc/35/45/38/1132354538.db2.gz IAUPTNCNNMHXKD-CYBMUJFWSA-N 0 1 298.377 3.736 20 0 CHADMN CC(C)Sc1nc2sccn2c1C[N@H+]1CC[C@@H](C)C1 ZINC001231775466 1132358431 /nfs/dbraw/zinc/35/84/31/1132358431.db2.gz MERQRVZUXCYDDN-LLVKDONJSA-N 0 1 295.477 3.738 20 0 CHADMN CC(C)Sc1nc2sccn2c1CN1CC[C@@H](C)C1 ZINC001231775466 1132358439 /nfs/dbraw/zinc/35/84/39/1132358439.db2.gz MERQRVZUXCYDDN-LLVKDONJSA-N 0 1 295.477 3.738 20 0 CHADMN c1ccc([C@H]2CC[N@@H+]2Cc2ccc3c(c2)OCCCO3)cc1 ZINC001142271307 1132360080 /nfs/dbraw/zinc/36/00/80/1132360080.db2.gz ICXOXIVSNIQCQP-QGZVFWFLSA-N 0 1 295.382 3.795 20 0 CHADMN c1ccc([C@H]2CCN2Cc2ccc3c(c2)OCCCO3)cc1 ZINC001142271307 1132360088 /nfs/dbraw/zinc/36/00/88/1132360088.db2.gz ICXOXIVSNIQCQP-QGZVFWFLSA-N 0 1 295.382 3.795 20 0 CHADMN CC(C)Cc1ccc(CN2CCc3cccnc3C2)cc1 ZINC001231789961 1132363440 /nfs/dbraw/zinc/36/34/40/1132363440.db2.gz NCQIGUMHMPFMIF-UHFFFAOYSA-N 0 1 280.415 3.838 20 0 CHADMN c1cc(-c2ccccc2)oc1CN1CC2(CCC2)C1 ZINC001231810253 1132368094 /nfs/dbraw/zinc/36/80/94/1132368094.db2.gz LUCGFJXBJKFGFV-UHFFFAOYSA-N 0 1 253.345 3.933 20 0 CHADMN CCN(Cc1ccccc1-c1ccc(F)cc1)C1COC1 ZINC001231825711 1132373061 /nfs/dbraw/zinc/37/30/61/1132373061.db2.gz XHNXFWDMLZYUCO-UHFFFAOYSA-N 0 1 285.362 3.713 20 0 CHADMN c1ccc(-c2ccccc2CN2C[C@H]3CC[C@@H]2CO3)cc1 ZINC001142348656 1132373088 /nfs/dbraw/zinc/37/30/88/1132373088.db2.gz HTYJDUSMDXRMLW-QZTJIDSGSA-N 0 1 279.383 3.717 20 0 CHADMN CCCc1ccc(CN2CCc3nc(C)sc3C2)cc1 ZINC001142364226 1132375958 /nfs/dbraw/zinc/37/59/58/1132375958.db2.gz KYJUCFZKLRBIBX-UHFFFAOYSA-N 0 1 286.444 3.962 20 0 CHADMN CCCOc1ncccc1CN1CCC2(CC(F)C2)CC1 ZINC001231859179 1132381607 /nfs/dbraw/zinc/38/16/07/1132381607.db2.gz WRZOXNDFTBIUKB-UHFFFAOYSA-N 0 1 292.398 3.585 20 0 CHADMN Cc1ccc2ccccc2c1CN(C)Cc1cncnc1 ZINC001142387794 1132382062 /nfs/dbraw/zinc/38/20/62/1132382062.db2.gz GKAKNHPMZRTAMQ-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Cc1cccc(CCN(C)Cc2ncccc2Cl)c1 ZINC001231958875 1132403189 /nfs/dbraw/zinc/40/31/89/1132403189.db2.gz HOIMTYOVEDQZFW-UHFFFAOYSA-N 0 1 274.795 3.718 20 0 CHADMN Cc1cc(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)cc(C)n1 ZINC001231995979 1132406748 /nfs/dbraw/zinc/40/67/48/1132406748.db2.gz WAKMWGNFMMJDGA-NSHDSACASA-N 0 1 268.351 3.566 20 0 CHADMN CCC[N@H+](Cc1cc(Cl)cnc1F)CC(C)C ZINC001231997645 1132407963 /nfs/dbraw/zinc/40/79/63/1132407963.db2.gz CWGGAHHOEDDLBS-UHFFFAOYSA-N 0 1 258.768 3.742 20 0 CHADMN CC(=O)[C@@H]1CCCN1Cc1ccc(C(F)(F)F)cc1C ZINC001232005394 1132408997 /nfs/dbraw/zinc/40/89/97/1132408997.db2.gz LXGYPTVKKRSVQC-AWEZNQCLSA-N 0 1 285.309 3.567 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCC(=O)[C@H](C)CC1 ZINC001232001922 1132408979 /nfs/dbraw/zinc/40/89/79/1132408979.db2.gz KUCAQPKUPOKKJI-LLVKDONJSA-N 0 1 299.336 3.815 20 0 CHADMN CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cncc(O)c2)cc1 ZINC001232041809 1132414764 /nfs/dbraw/zinc/41/47/64/1132414764.db2.gz LAZQLKYRCWHPIH-SFHVURJKSA-N 0 1 298.386 3.523 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2cncc(O)c2)cc1 ZINC001232041809 1132414768 /nfs/dbraw/zinc/41/47/68/1132414768.db2.gz LAZQLKYRCWHPIH-SFHVURJKSA-N 0 1 298.386 3.523 20 0 CHADMN CCC[N@H+](Cc1c(Cl)n(C)nc1C(F)F)CC1CC1 ZINC001232050766 1132415755 /nfs/dbraw/zinc/41/57/55/1132415755.db2.gz FIKANHQBCVQJDY-UHFFFAOYSA-N 0 1 291.773 3.633 20 0 CHADMN CCCN(Cc1c(Cl)n(C)nc1C(F)F)CC1CC1 ZINC001232050766 1132415759 /nfs/dbraw/zinc/41/57/59/1132415759.db2.gz FIKANHQBCVQJDY-UHFFFAOYSA-N 0 1 291.773 3.633 20 0 CHADMN Cn1nc(C(F)F)c(CN2CCCCCCC2)c1Cl ZINC001232055760 1132417254 /nfs/dbraw/zinc/41/72/54/1132417254.db2.gz STQIASYFIRSZSK-UHFFFAOYSA-N 0 1 291.773 3.777 20 0 CHADMN CCc1ccc(C[C@H](C)N2Cc3cnc(C)cc3C2)cc1 ZINC001173243477 1132417352 /nfs/dbraw/zinc/41/73/52/1132417352.db2.gz OEACYRSZAZSICM-HNNXBMFYSA-N 0 1 280.415 3.899 20 0 CHADMN CCc1ccc(C[C@@H](C)N2CCc3oc(C)nc3C2)cc1 ZINC001173245699 1132417679 /nfs/dbraw/zinc/41/76/79/1132417679.db2.gz IGXOFLFRMZLEJZ-CYBMUJFWSA-N 0 1 284.403 3.535 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1ccc(C)nc1C ZINC001232085099 1132420192 /nfs/dbraw/zinc/42/01/92/1132420192.db2.gz GAOMGGWFZSWNKO-HNNXBMFYSA-N 0 1 284.403 3.900 20 0 CHADMN CCc1ccc(C[C@H](C)N2CC[C@](C)(F)[C@@H](F)C2)cc1 ZINC001173251462 1132421671 /nfs/dbraw/zinc/42/16/71/1132421671.db2.gz BGGNBDNVDDPBNR-JQFCIGGWSA-N 0 1 281.390 3.952 20 0 CHADMN CCN(Cc1cc2ccncc2[nH]1)Cc1cccs1 ZINC001232095797 1132422569 /nfs/dbraw/zinc/42/25/69/1132422569.db2.gz PXHDUWHHELCZON-UHFFFAOYSA-N 0 1 271.389 3.647 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cc3ccncc3[nH]2)cn1 ZINC001232095289 1132422816 /nfs/dbraw/zinc/42/28/16/1132422816.db2.gz BIHQNQIRGJXOBQ-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN CC[N@@H+](Cc1cc2ccncc2[nH]1)Cc1ccc(C)cc1 ZINC001232096620 1132423019 /nfs/dbraw/zinc/42/30/19/1132423019.db2.gz GFMGBZIJNLEGFN-UHFFFAOYSA-N 0 1 279.387 3.893 20 0 CHADMN CCCC[C@H](CC(C)C)N1CCCC(=O)[C@H](F)C1 ZINC001173255338 1132424107 /nfs/dbraw/zinc/42/41/07/1132424107.db2.gz HVYZFNYWBUBROG-ZIAGYGMSSA-N 0 1 257.393 3.594 20 0 CHADMN CCCC[C@@H](CC(C)C)N1CCC[C@H](F)C(=O)C1 ZINC001173258402 1132426368 /nfs/dbraw/zinc/42/63/68/1132426368.db2.gz TYPCYIPRGSAOBF-KBPBESRZSA-N 0 1 257.393 3.594 20 0 CHADMN CCCC[C@H](CC(C)C)N1C[C@@H](CO)CC(F)(F)C1 ZINC001173258344 1132426713 /nfs/dbraw/zinc/42/67/13/1132426713.db2.gz RUXRPAHQWFNCAH-UONOGXRCSA-N 0 1 277.399 3.541 20 0 CHADMN CCC[N@@H+](Cc1ncccc1Br)[C@H](C)CC ZINC001232163908 1132429423 /nfs/dbraw/zinc/42/94/23/1132429423.db2.gz KWHJWIKTKYSYAH-LLVKDONJSA-N 0 1 285.229 3.855 20 0 CHADMN CCCN(Cc1ncccc1Br)[C@H](C)CC ZINC001232163908 1132429430 /nfs/dbraw/zinc/42/94/30/1132429430.db2.gz KWHJWIKTKYSYAH-LLVKDONJSA-N 0 1 285.229 3.855 20 0 CHADMN CCC[N@H+](Cc1nc(Cl)ccc1F)CC(C)C ZINC001232161246 1132429639 /nfs/dbraw/zinc/42/96/39/1132429639.db2.gz JXXVLAOFSXWAJZ-UHFFFAOYSA-N 0 1 258.768 3.742 20 0 CHADMN CCC(CC)[N@@H+](CC)Cc1nc(Cl)ccc1F ZINC001232162483 1132429685 /nfs/dbraw/zinc/42/96/85/1132429685.db2.gz JENVHTSFOIKBGT-UHFFFAOYSA-N 0 1 258.768 3.885 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ncccc2Br)C[C@H]1C ZINC001232161962 1132430675 /nfs/dbraw/zinc/43/06/75/1132430675.db2.gz PIIVMCGLTYFBSZ-NWDGAFQWSA-N 0 1 297.240 3.712 20 0 CHADMN C[C@H]1CCCN(Cc2ncccc2Br)C[C@H]1C ZINC001232161962 1132430681 /nfs/dbraw/zinc/43/06/81/1132430681.db2.gz PIIVMCGLTYFBSZ-NWDGAFQWSA-N 0 1 297.240 3.712 20 0 CHADMN Clc1ccc([C@@H]2CC[N@@H+](Cc3ccns3)C2)cc1 ZINC001232191901 1132433666 /nfs/dbraw/zinc/43/36/66/1132433666.db2.gz MYXPNMHCUGBGRN-GFCCVEGCSA-N 0 1 278.808 3.786 20 0 CHADMN Cc1ccccc1[C@H]1CCC[N@H+]1Cc1ccns1 ZINC001232190258 1132433939 /nfs/dbraw/zinc/43/39/39/1132433939.db2.gz PNECBTMSCBPCQG-OAHLLOKOSA-N 0 1 258.390 3.789 20 0 CHADMN CCCC[N@@H+](Cc1ccns1)Cc1ccccc1 ZINC001232193014 1132434109 /nfs/dbraw/zinc/43/41/09/1132434109.db2.gz LEOFYNKXZXOFNL-UHFFFAOYSA-N 0 1 260.406 3.945 20 0 CHADMN CCCCN(Cc1ccns1)Cc1ccccc1 ZINC001232193014 1132434115 /nfs/dbraw/zinc/43/41/15/1132434115.db2.gz LEOFYNKXZXOFNL-UHFFFAOYSA-N 0 1 260.406 3.945 20 0 CHADMN C[N@@H+](Cc1ccns1)Cc1cccc2ccccc21 ZINC001232193111 1132434224 /nfs/dbraw/zinc/43/42/24/1132434224.db2.gz PTMKPMMEKYVLQJ-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN CN(Cc1ccns1)Cc1cccc2ccccc21 ZINC001232193111 1132434227 /nfs/dbraw/zinc/43/42/27/1132434227.db2.gz PTMKPMMEKYVLQJ-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN c1csc(C2CCN(Cc3ccns3)CC2)c1 ZINC001232193186 1132434363 /nfs/dbraw/zinc/43/43/63/1132434363.db2.gz UFXVAANMWOTNRJ-UHFFFAOYSA-N 0 1 264.419 3.584 20 0 CHADMN CC[C@@H]1CC[C@@H](NCc2nc(SC)ncc2Cl)C1 ZINC001173270918 1132435293 /nfs/dbraw/zinc/43/52/93/1132435293.db2.gz DGNLMORUNSVDGF-NXEZZACHSA-N 0 1 285.844 3.520 20 0 CHADMN Fc1cccc2c(CN3CCCCC34CC4)ccnc12 ZINC001232212501 1132437869 /nfs/dbraw/zinc/43/78/69/1132437869.db2.gz TWEPHXVWJDOCBC-UHFFFAOYSA-N 0 1 270.351 3.892 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1ccnc(C(F)(F)F)c1 ZINC001232235576 1132440429 /nfs/dbraw/zinc/44/04/29/1132440429.db2.gz SBHRVTISLQLAQX-GHMZBOCLSA-N 0 1 272.314 3.863 20 0 CHADMN FC(F)(F)c1cc(CN2CCCCC23CC3)ccn1 ZINC001232240393 1132441975 /nfs/dbraw/zinc/44/19/75/1132441975.db2.gz GBAICMXOZJFIGW-UHFFFAOYSA-N 0 1 270.298 3.619 20 0 CHADMN F[C@@H]1CCCCN(Cc2nccc3ccccc32)C1 ZINC001232247874 1132442299 /nfs/dbraw/zinc/44/22/99/1132442299.db2.gz DZGFURVCGXMVKK-CQSZACIVSA-N 0 1 258.340 3.559 20 0 CHADMN C[C@@H]1CCN(Cc2ccnc(C(F)(F)F)c2)[C@@H](C)C1 ZINC001232241124 1132442908 /nfs/dbraw/zinc/44/29/08/1132442908.db2.gz GPPXRRTVFDNKOM-MNOVXSKESA-N 0 1 272.314 3.721 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cccc(COC)n1 ZINC001232257304 1132444228 /nfs/dbraw/zinc/44/42/28/1132444228.db2.gz PGBPJZVQAAOUMI-IBGZPJMESA-N 0 1 296.414 3.737 20 0 CHADMN CC[C@@H]1CC[C@@H](n2cncc2CNCc2ccccc2)C1 ZINC001173295175 1132444397 /nfs/dbraw/zinc/44/43/97/1132444397.db2.gz QDDIPOMZQIZODL-NVXWUHKLSA-N 0 1 283.419 3.924 20 0 CHADMN COCc1cccc(CN2Cc3ccccc3C(C)(C)C2)n1 ZINC001232257664 1132444661 /nfs/dbraw/zinc/44/46/61/1132444661.db2.gz RQIRDMBZUUYTDJ-UHFFFAOYSA-N 0 1 296.414 3.521 20 0 CHADMN C[C@@H]1C(=O)N(CN(C)CCC(C)(C)C)[C@@H]1c1ccccc1 ZINC000842631334 1132445738 /nfs/dbraw/zinc/44/57/38/1132445738.db2.gz MRWCSSZXTHTGFV-HOCLYGCPSA-N 0 1 288.435 3.532 20 0 CHADMN CCCCCC[C@H](C)Cc1nc([C@@H]2CCCN2)no1 ZINC000842641656 1132447670 /nfs/dbraw/zinc/44/76/70/1132447670.db2.gz PAKLIXNOVXVMME-STQMWFEESA-N 0 1 265.401 3.643 20 0 CHADMN Clc1csc(CN2CC[C@]3(C2)CCCCO3)c1 ZINC001232278424 1132449181 /nfs/dbraw/zinc/44/91/81/1132449181.db2.gz MVLYABXQDMPQPZ-ZDUSSCGKSA-N 0 1 271.813 3.547 20 0 CHADMN Cc1sc(CN2C3CCC2CC3)cc1Br ZINC001232293269 1132451386 /nfs/dbraw/zinc/45/13/86/1132451386.db2.gz FNPHNPSEQIJCJZ-UHFFFAOYSA-N 0 1 286.238 3.946 20 0 CHADMN CCOc1ccc(CN2Cc3ccccc3C[C@H]2C)c(C)n1 ZINC001232310952 1132452298 /nfs/dbraw/zinc/45/22/98/1132452298.db2.gz QEUPMYSYXIGAHW-CQSZACIVSA-N 0 1 296.414 3.736 20 0 CHADMN CCOc1ccc(CN2CCc3c(C)cccc3C2)c(C)n1 ZINC001232308648 1132452904 /nfs/dbraw/zinc/45/29/04/1132452904.db2.gz SSMREPOYFCKFAS-UHFFFAOYSA-N 0 1 296.414 3.655 20 0 CHADMN CCOc1ccc(CN2CCc3cc(C)ccc3C2)c(C)n1 ZINC001232314884 1132453168 /nfs/dbraw/zinc/45/31/68/1132453168.db2.gz WRYKVDXCRKPTIS-UHFFFAOYSA-N 0 1 296.414 3.655 20 0 CHADMN Cc1nc(Br)ccc1CN1CCC[C@H](C)CC1 ZINC001232319800 1132454385 /nfs/dbraw/zinc/45/43/85/1132454385.db2.gz LTPBNGHRPRBJDX-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN Cc1cc(Br)ncc1CN1CCC[C@@H](C)[C@@H]1C ZINC001232320515 1132454958 /nfs/dbraw/zinc/45/49/58/1132454958.db2.gz WAZXQJGGXZZGJK-PWSUYJOCSA-N 0 1 297.240 3.773 20 0 CHADMN COc1ccc(CN2Cc3ccccc3[C@@H](C)C2)c(C)n1 ZINC001232331107 1132456508 /nfs/dbraw/zinc/45/65/08/1132456508.db2.gz KBWRMUDVWGYMGR-ZDUSSCGKSA-N 0 1 282.387 3.518 20 0 CHADMN Cc1ccc(CNC2(c3cccc(Cl)c3)CCC2)nn1 ZINC000842771538 1132459700 /nfs/dbraw/zinc/45/97/00/1132459700.db2.gz MRFVNIGKUKRYPY-UHFFFAOYSA-N 0 1 287.794 3.607 20 0 CHADMN COc1cc(CN2CC[C@H](C)C[C@@H]2C)c(OC)cc1Cl ZINC001232374550 1132461855 /nfs/dbraw/zinc/46/18/55/1132461855.db2.gz WMDMIRABGBAKCA-RYUDHWBXSA-N 0 1 297.826 3.978 20 0 CHADMN CC(=O)[C@H]1CCCN(Cc2cc(C)ccc2OC(C)C)C1 ZINC001232398395 1132466259 /nfs/dbraw/zinc/46/62/59/1132466259.db2.gz IMNSGFVNUXJWBU-INIZCTEOSA-N 0 1 289.419 3.583 20 0 CHADMN Cc1c(F)cc(CN2CCC3(CCCOC3)CC2)cc1F ZINC001232426605 1132469606 /nfs/dbraw/zinc/46/96/06/1132469606.db2.gz OLHDNIORDUYSMH-UHFFFAOYSA-N 0 1 295.373 3.666 20 0 CHADMN FC(F)(F)c1ccc(CN2CC[C@H](c3ccncc3)C2)o1 ZINC001232443552 1132471117 /nfs/dbraw/zinc/47/11/17/1132471117.db2.gz BESHORPLOCRTIP-LBPRGKRZSA-N 0 1 296.292 3.683 20 0 CHADMN C[C@H]1CCCN(Cc2ccc(C(F)(F)F)o2)CC1 ZINC001232441550 1132471320 /nfs/dbraw/zinc/47/13/20/1132471320.db2.gz QJHWKBRSOPKWQS-JTQLQIEISA-N 0 1 261.287 3.920 20 0 CHADMN C[C@H]1CN(Cc2ccc(C(F)(F)F)o2)C2(CC2)C1 ZINC001232446449 1132472463 /nfs/dbraw/zinc/47/24/63/1132472463.db2.gz MNWJXFWMHXAHCK-SECBINFHSA-N 0 1 259.271 3.673 20 0 CHADMN Cc1ncc(CN2CCC[C@H]2c2ccc(Cl)s2)[nH]1 ZINC001232464164 1132473712 /nfs/dbraw/zinc/47/37/12/1132473712.db2.gz UKBZZVYPCNOUDF-NSHDSACASA-N 0 1 281.812 3.770 20 0 CHADMN CCc1csc(CN2CC[C@H](c3ccccc3F)C2)n1 ZINC001232473481 1132475940 /nfs/dbraw/zinc/47/59/40/1132475940.db2.gz SSHAJLKEOREMBO-LBPRGKRZSA-N 0 1 290.407 3.834 20 0 CHADMN FC1(F)COC2(CN([C@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173351105 1132476245 /nfs/dbraw/zinc/47/62/45/1132476245.db2.gz YCIMCWGPQRSVSA-AWEZNQCLSA-N 0 1 299.405 3.990 20 0 CHADMN Cc1cccc(F)c1CN1CC[C@@H](C(F)(F)F)C1 ZINC001232482949 1132477546 /nfs/dbraw/zinc/47/75/46/1132477546.db2.gz ABIPYNFUSLZFEP-SNVBAGLBSA-N 0 1 261.262 3.518 20 0 CHADMN Fc1ccnc(CN2CCC(c3ccccc3)CC2)c1 ZINC001232492816 1132479529 /nfs/dbraw/zinc/47/95/29/1132479529.db2.gz MZFXMKMTCSTVCE-UHFFFAOYSA-N 0 1 270.351 3.600 20 0 CHADMN Cc1c(Br)cncc1CN1C[C@@H](C)CC12CC2 ZINC001232530960 1132482976 /nfs/dbraw/zinc/48/29/76/1132482976.db2.gz DGLXJJDTMSBPHV-JTQLQIEISA-N 0 1 295.224 3.527 20 0 CHADMN CC[C@H]1CCCN(Cc2cncc(Br)c2C)C1 ZINC001232531101 1132483005 /nfs/dbraw/zinc/48/30/05/1132483005.db2.gz UAFZMFAMSGHVRD-LBPRGKRZSA-N 0 1 297.240 3.775 20 0 CHADMN C[N@@H+](Cc1ccccc1F)C1Cc2cc(F)c(F)cc2C1 ZINC001173482979 1132485804 /nfs/dbraw/zinc/48/58/04/1132485804.db2.gz MXGCRILDORNGQZ-UHFFFAOYSA-N 0 1 291.316 3.703 20 0 CHADMN CN(Cc1ncc(Cl)cc1Cl)C[C@@H]1CC1(C)C ZINC001232575209 1132487938 /nfs/dbraw/zinc/48/79/38/1132487938.db2.gz UBMLVPUIRHYZFN-VIFPVBQESA-N 0 1 273.207 3.866 20 0 CHADMN CCOc1ccnc(CN2CCC[C@H]2c2ccccc2)c1 ZINC001232583649 1132489028 /nfs/dbraw/zinc/48/90/28/1132489028.db2.gz MYNJXDCJXWWTTL-SFHVURJKSA-N 0 1 282.387 3.817 20 0 CHADMN CNc1ccc(CNc2ccc3[nH]c(C)nc3c2)cc1 ZINC000259012287 1132489034 /nfs/dbraw/zinc/48/90/34/1132489034.db2.gz NFVXMELXFKQWBD-UHFFFAOYSA-N 0 1 266.348 3.525 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cccnc1C1CC1 ZINC001212737820 1132489834 /nfs/dbraw/zinc/48/98/34/1132489834.db2.gz CSPYBJCSWZDAFJ-UHFFFAOYSA-N 0 1 282.322 3.798 20 0 CHADMN Cc1cc(Nc2cccnc2C2CC2)c2ccccc2n1 ZINC001212735378 1132489851 /nfs/dbraw/zinc/48/98/51/1132489851.db2.gz ULSPGPATQQLANJ-UHFFFAOYSA-N 0 1 275.355 3.981 20 0 CHADMN CC[C@](C)(N)c1nc(-c2ccc3sccc3c2)no1 ZINC001249281884 1132492975 /nfs/dbraw/zinc/49/29/75/1132492975.db2.gz DFNQMOHLSUMFST-AWEZNQCLSA-N 0 1 273.361 3.535 20 0 CHADMN Fc1nccc(Cl)c1CN1CCC[C@H]2CCC[C@@H]21 ZINC001232616955 1132495184 /nfs/dbraw/zinc/49/51/84/1132495184.db2.gz AHGZWHAZWCVIOA-MFKMUULPSA-N 0 1 268.763 3.639 20 0 CHADMN CC(C)[C@H](N)c1noc(C2(c3ccccc3)CCCC2)n1 ZINC000843146091 1132495809 /nfs/dbraw/zinc/49/58/09/1132495809.db2.gz ALMSEPLWCNJQBN-AWEZNQCLSA-N 0 1 285.391 3.586 20 0 CHADMN CCC(CC)(c1nc([C@H](N)C(C)C)no1)c1ccccc1 ZINC000843151230 1132497740 /nfs/dbraw/zinc/49/77/40/1132497740.db2.gz XHCDKAUNMGLCHB-CQSZACIVSA-N 0 1 287.407 3.832 20 0 CHADMN CCC(CC)(c1nc([C@@H](N)C(C)C)no1)c1ccccc1 ZINC000843151229 1132498057 /nfs/dbraw/zinc/49/80/57/1132498057.db2.gz XHCDKAUNMGLCHB-AWEZNQCLSA-N 0 1 287.407 3.832 20 0 CHADMN CC(C)[C@@H](N)c1noc(Cc2ccc(C(C)(C)C)cc2)n1 ZINC000843147933 1132498077 /nfs/dbraw/zinc/49/80/77/1132498077.db2.gz JFYCWNFTALXCST-OAHLLOKOSA-N 0 1 287.407 3.614 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(Br)co1 ZINC001232855672 1132530764 /nfs/dbraw/zinc/53/07/64/1132530764.db2.gz GMIVPTIUJRSKBA-NSHDSACASA-N 0 1 272.186 3.807 20 0 CHADMN CC[C@@H](Cc1ccccc1C)c1nc([C@@H](N)C(C)C)no1 ZINC000843155966 1132498887 /nfs/dbraw/zinc/49/88/87/1132498887.db2.gz YTOTXEGORKZIOZ-ZFWWWQNUSA-N 0 1 287.407 3.770 20 0 CHADMN CC[C@H](Cc1ccccc1C)c1nc([C@@H](N)C(C)C)no1 ZINC000843155962 1132499164 /nfs/dbraw/zinc/49/91/64/1132499164.db2.gz YTOTXEGORKZIOZ-HIFRSBDPSA-N 0 1 287.407 3.770 20 0 CHADMN CCCN[C@@H](C)c1nc(Cc2cccc3ccccc32)no1 ZINC000843175968 1132500441 /nfs/dbraw/zinc/50/04/41/1132500441.db2.gz GCVNTZHPTTZOCO-ZDUSSCGKSA-N 0 1 295.386 3.874 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc([C@H](C)C(C)(C)C)no1 ZINC000843190351 1132501330 /nfs/dbraw/zinc/50/13/30/1132501330.db2.gz YFQGMASXBPSPHD-WDEREUQCSA-N 0 1 267.417 3.916 20 0 CHADMN c1cc(CN2CCc3ccncc3C2)c2c(c1)CCCC2 ZINC001232639080 1132501418 /nfs/dbraw/zinc/50/14/18/1132501418.db2.gz UWWSYNJWQXJFKZ-UHFFFAOYSA-N 0 1 278.399 3.519 20 0 CHADMN Oc1cccc2c1CCN(Cc1cccc3ncsc31)C2 ZINC001232729900 1132510102 /nfs/dbraw/zinc/51/01/02/1132510102.db2.gz DZZLJBJYPXMHHR-UHFFFAOYSA-N 0 1 296.395 3.560 20 0 CHADMN COc1ccccc1CN(C)Cc1cccc2ncsc21 ZINC001232734234 1132512116 /nfs/dbraw/zinc/51/21/16/1132512116.db2.gz WYLASJFLDPKPKV-UHFFFAOYSA-N 0 1 298.411 3.937 20 0 CHADMN CCOc1cc(CN(Cc2ccco2)C2CC2)ccc1O ZINC001204132790 1132513674 /nfs/dbraw/zinc/51/36/74/1132513674.db2.gz DJYVGOHTUXVQOS-UHFFFAOYSA-N 0 1 287.359 3.549 20 0 CHADMN COc1ccccc1C[N@@H+](C)Cc1ccc2ncsc2c1 ZINC001232741330 1132514026 /nfs/dbraw/zinc/51/40/26/1132514026.db2.gz OMZGWMRZOFFOJZ-UHFFFAOYSA-N 0 1 298.411 3.937 20 0 CHADMN COc1ccccc1CN(C)Cc1ccc2ncsc2c1 ZINC001232741330 1132514031 /nfs/dbraw/zinc/51/40/31/1132514031.db2.gz OMZGWMRZOFFOJZ-UHFFFAOYSA-N 0 1 298.411 3.937 20 0 CHADMN CC[C@H](C)NC(=S)Nc1ccc(F)cc1SC ZINC000843283862 1132514542 /nfs/dbraw/zinc/51/45/42/1132514542.db2.gz KZGJTPZHVOSLQY-QMMMGPOBSA-N 0 1 272.414 3.633 20 0 CHADMN COc1cc(Nc2ccc(SC)cc2)ncc1C ZINC001173812571 1132516581 /nfs/dbraw/zinc/51/65/81/1132516581.db2.gz QHUIEMFEPKJMTC-UHFFFAOYSA-N 0 1 260.362 3.864 20 0 CHADMN CSc1ccc(Nc2ccnn2-c2ccncc2)cc1 ZINC001173812494 1132516972 /nfs/dbraw/zinc/51/69/72/1132516972.db2.gz MIFHMFCIJXQYKJ-UHFFFAOYSA-N 0 1 282.372 3.733 20 0 CHADMN Cc1c(CN2C[C@H]3[C@H](CCC3(F)F)C2)ccnc1Cl ZINC001232752463 1132517174 /nfs/dbraw/zinc/51/71/74/1132517174.db2.gz WCCLDHKAJFQIOA-NEPJUHHUSA-N 0 1 286.753 3.521 20 0 CHADMN CCCn1cnc(CN2CCC(c3ccccc3)CC2)c1 ZINC001232797334 1132522847 /nfs/dbraw/zinc/52/28/47/1132522847.db2.gz JOKHKEDXHBPVNX-UHFFFAOYSA-N 0 1 283.419 3.673 20 0 CHADMN FC(F)(F)c1ccc(CN2C[C@H]3CC[C@@H]2C3)c(Cl)n1 ZINC001232794904 1132523088 /nfs/dbraw/zinc/52/30/88/1132523088.db2.gz XGLVJJDXHKPUOC-WCBMZHEXSA-N 0 1 290.716 3.738 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cc(O)cc(OC)c1 ZINC001232805061 1132523523 /nfs/dbraw/zinc/52/35/23/1132523523.db2.gz SDBCQWZTBSGSMT-UHFFFAOYSA-N 0 1 289.350 3.562 20 0 CHADMN CCCn1cnc(CN2CCC[C@@H]2c2ccccc2)c1 ZINC001232798415 1132524112 /nfs/dbraw/zinc/52/41/12/1132524112.db2.gz FWSXRPLYRKTWLX-QGZVFWFLSA-N 0 1 269.392 3.630 20 0 CHADMN C[C@H]1CCC[C@H](C)[NH+]1Cc1cccc([O-])c1Cl ZINC000328329832 1132524380 /nfs/dbraw/zinc/52/43/80/1132524380.db2.gz HWHCOTJUXKHDBI-QWRGUYRKSA-N 0 1 253.773 3.809 20 0 CHADMN COc1cc(O)cc(CN(C)Cc2ccc(Cl)cc2)c1 ZINC001232803232 1132524761 /nfs/dbraw/zinc/52/47/61/1132524761.db2.gz JCKDBMJXMJXZSC-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN CN(Cc1ccsc1)Cc1c[nH]c2cc(Cl)ncc12 ZINC001232822318 1132525797 /nfs/dbraw/zinc/52/57/97/1132525797.db2.gz NSVUZRADQPKWDG-UHFFFAOYSA-N 0 1 291.807 3.910 20 0 CHADMN CCCCN(C)Cc1ccc(OCC)c(F)c1F ZINC001143268003 1132526276 /nfs/dbraw/zinc/52/62/76/1132526276.db2.gz WHKDIGLPLMOWMJ-UHFFFAOYSA-N 0 1 257.324 3.595 20 0 CHADMN CCOc1ccc(CN2CC[C@@H]3CCC[C@H]3C2)c(F)c1F ZINC001143270098 1132526668 /nfs/dbraw/zinc/52/66/68/1132526668.db2.gz WDBYMZPWZDUXFD-STQMWFEESA-N 0 1 295.373 3.986 20 0 CHADMN [O-]c1ccc(F)c(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c1F ZINC000843420217 1132530529 /nfs/dbraw/zinc/53/05/29/1132530529.db2.gz SFZKEOFIMAVAMG-CHWSQXEVSA-N 0 1 289.325 3.564 20 0 CHADMN Brc1coc(CN2CC3CCC(CC3)C2)c1 ZINC001232856540 1132531751 /nfs/dbraw/zinc/53/17/51/1132531751.db2.gz VYHLDIVQOYYTFN-UHFFFAOYSA-N 0 1 284.197 3.664 20 0 CHADMN CN(CCc1ccncc1)Cc1ccc(F)c(F)c1Cl ZINC001232876169 1132532896 /nfs/dbraw/zinc/53/28/96/1132532896.db2.gz LRBHFKDSOPNBFO-UHFFFAOYSA-N 0 1 296.748 3.688 20 0 CHADMN CCN(CC)Cc1c(OC)ccc(F)c1C(F)(F)F ZINC001143295042 1132533307 /nfs/dbraw/zinc/53/33/07/1132533307.db2.gz DKEHYOFKJXSCRU-UHFFFAOYSA-N 0 1 279.277 3.695 20 0 CHADMN COc1c(F)ccc(CN2CCC[C@@H](C)[C@H]2C)c1F ZINC001143318780 1132534269 /nfs/dbraw/zinc/53/42/69/1132534269.db2.gz ZNAGVKJXOHKMIZ-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN Fc1ccc(CN(CC2CC2)C2CC2)c(Cl)c1F ZINC001232878761 1132535268 /nfs/dbraw/zinc/53/52/68/1132535268.db2.gz JFNYKJCEBXAHIV-UHFFFAOYSA-N 0 1 271.738 3.993 20 0 CHADMN CN(Cc1ccc(F)c(F)c1Cl)CC1CCC1 ZINC001232877046 1132536026 /nfs/dbraw/zinc/53/60/26/1132536026.db2.gz YTXSDBITEQKMCE-UHFFFAOYSA-N 0 1 259.727 3.850 20 0 CHADMN Fc1cccc(-c2ccc(CN3CC4(CCC4)C3)cn2)c1 ZINC001232886934 1132538455 /nfs/dbraw/zinc/53/84/55/1132538455.db2.gz VWGAWVJIJRONMD-UHFFFAOYSA-N 0 1 282.362 3.874 20 0 CHADMN Cc1cc(CN2CCC[C@H](C)CC2)ncc1Br ZINC001232904466 1132540032 /nfs/dbraw/zinc/54/00/32/1132540032.db2.gz CAKBJRWACIEXSH-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN CC[N@@H+](Cc1ccc(F)c([O-])c1F)C1CCCCC1 ZINC001232932146 1132546144 /nfs/dbraw/zinc/54/61/44/1132546144.db2.gz CJKOMXFSLIOSBP-UHFFFAOYSA-N 0 1 269.335 3.825 20 0 CHADMN [O-]c1c(F)ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1F ZINC001232931624 1132546166 /nfs/dbraw/zinc/54/61/66/1132546166.db2.gz POIKANXMBGXOAJ-CYBMUJFWSA-N 0 1 289.325 3.660 20 0 CHADMN c1nc2ccc(CN3CCC[C@H]3c3ccccn3)cc2o1 ZINC001232942423 1132547268 /nfs/dbraw/zinc/54/72/68/1132547268.db2.gz XWNJQSATOYZBRS-INIZCTEOSA-N 0 1 279.343 3.560 20 0 CHADMN FC(F)(F)[C@H]1CCCN(Cc2ccc3ncoc3c2)C1 ZINC001232942444 1132547871 /nfs/dbraw/zinc/54/78/71/1132547871.db2.gz YRHSFQVJHTWJQU-NSHDSACASA-N 0 1 284.281 3.602 20 0 CHADMN c1coc(CN(Cc2ccc3ncoc3c2)C2CC2)c1 ZINC001232945574 1132548000 /nfs/dbraw/zinc/54/80/00/1132548000.db2.gz XHDBFTMJAJLHMM-UHFFFAOYSA-N 0 1 268.316 3.585 20 0 CHADMN CCCC[C@@H](CCC)CNC(=O)c1[nH]nc2c1CCCC2 ZINC001149845395 1132548932 /nfs/dbraw/zinc/54/89/32/1132548932.db2.gz UTLQYTQTBZWOKQ-CYBMUJFWSA-N 0 1 291.439 3.625 20 0 CHADMN CCOc1ccc(Nc2cnc3cccc(C)n23)cc1 ZINC001173851994 1132554524 /nfs/dbraw/zinc/55/45/24/1132554524.db2.gz XIUBQHWSHRPFHS-UHFFFAOYSA-N 0 1 267.332 3.785 20 0 CHADMN Oc1ccc2c(c1)CCN(Cc1ccc(C3CC3)cc1)C2 ZINC001232981568 1132556598 /nfs/dbraw/zinc/55/65/98/1132556598.db2.gz DRRGOSPWDODLGT-UHFFFAOYSA-N 0 1 279.383 3.828 20 0 CHADMN CCCCC1CCN(Cc2cc(F)cnc2C)CC1 ZINC001232987444 1132558198 /nfs/dbraw/zinc/55/81/98/1132558198.db2.gz KSHKDLUFRMZHJM-UHFFFAOYSA-N 0 1 264.388 3.931 20 0 CHADMN C[C@@H]1CCCCN(Cc2cc(O)cc(Br)c2)C1 ZINC001232994237 1132558262 /nfs/dbraw/zinc/55/82/62/1132558262.db2.gz PYCXHLWDCZYEIS-LLVKDONJSA-N 0 1 298.224 3.777 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cc(F)cnc2C)cc1 ZINC001232991079 1132559119 /nfs/dbraw/zinc/55/91/19/1132559119.db2.gz UHXCWDFNXXAXLK-CYBMUJFWSA-N 0 1 288.366 3.731 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCC[C@@](C)(F)CC1 ZINC001233017217 1132562018 /nfs/dbraw/zinc/56/20/18/1132562018.db2.gz CYIZHFVBEWVSAC-OAHLLOKOSA-N 0 1 299.411 3.639 20 0 CHADMN CC[N@@H+](Cc1ccc(C)cc1)Cc1cc(Cl)ncc1O ZINC001233037864 1132564630 /nfs/dbraw/zinc/56/46/30/1132564630.db2.gz JPNSBLLBFNAXKH-UHFFFAOYSA-N 0 1 290.794 3.771 20 0 CHADMN CC[N@@H+](Cc1ccc(C)cc1)Cc1cc(Cl)ncc1[O-] ZINC001233037864 1132564641 /nfs/dbraw/zinc/56/46/41/1132564641.db2.gz JPNSBLLBFNAXKH-UHFFFAOYSA-N 0 1 290.794 3.771 20 0 CHADMN CCOC(=O)c1ccsc1CN1CC[C@@H](C)C[C@@H]1C ZINC001233020744 1132565480 /nfs/dbraw/zinc/56/54/80/1132565480.db2.gz QRSQFGYDHWXXNF-NEPJUHHUSA-N 0 1 281.421 3.545 20 0 CHADMN C[C@@H](CN(C)C(=O)c1cccc2n[nH]cc21)C1CCCCC1 ZINC001151148568 1132566797 /nfs/dbraw/zinc/56/67/97/1132566797.db2.gz UBHDZXVBDITRBS-ZDUSSCGKSA-N 0 1 299.418 3.851 20 0 CHADMN C[N@H+](Cc1cccc([O-])c1F)C(C)(C)Cc1ccccc1 ZINC001233054777 1132568105 /nfs/dbraw/zinc/56/81/05/1132568105.db2.gz YHCZYUKAGZRWOY-UHFFFAOYSA-N 0 1 287.378 3.984 20 0 CHADMN C[N@@H+](Cc1cccc([O-])c1F)C(C)(C)Cc1ccccc1 ZINC001233054777 1132568110 /nfs/dbraw/zinc/56/81/10/1132568110.db2.gz YHCZYUKAGZRWOY-UHFFFAOYSA-N 0 1 287.378 3.984 20 0 CHADMN Cc1sccc1NC(=O)c1ncc2ccccc2c1O ZINC001151425311 1132569072 /nfs/dbraw/zinc/56/90/72/1132569072.db2.gz LJVAXQMMPCBIJR-UHFFFAOYSA-N 0 1 284.340 3.563 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CC[C@H](C3CCCCC3)C2)c1F ZINC001233057687 1132569832 /nfs/dbraw/zinc/56/98/32/1132569832.db2.gz MXXGJDVRKVHETD-AWEZNQCLSA-N 0 1 277.383 3.934 20 0 CHADMN [O-]c1cccc(C[N@H+]2CC[C@H](C3CCCCC3)C2)c1F ZINC001233057687 1132569835 /nfs/dbraw/zinc/56/98/35/1132569835.db2.gz MXXGJDVRKVHETD-AWEZNQCLSA-N 0 1 277.383 3.934 20 0 CHADMN CCc1ccc(Nc2ccccc2N2CCN(C)CC2)cc1 ZINC001173869070 1132571456 /nfs/dbraw/zinc/57/14/56/1132571456.db2.gz XCMSPLMVZSJKBD-UHFFFAOYSA-N 0 1 295.430 3.744 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1cnc(C)c(C)c1)C2 ZINC001233163309 1132575094 /nfs/dbraw/zinc/57/50/94/1132575094.db2.gz XCRWREPTXVVBAD-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CCC2(CCCC2)C1 ZINC001233172531 1132577327 /nfs/dbraw/zinc/57/73/27/1132577327.db2.gz WEOJERYIPGAGDN-UHFFFAOYSA-N 0 1 294.826 3.900 20 0 CHADMN CC(C)Oc1ncc(Cl)cc1CN1C[C@@H]2CCC[C@H]2C1 ZINC001233164851 1132577450 /nfs/dbraw/zinc/57/74/50/1132577450.db2.gz KPDWFGBOVXQUPK-STQMWFEESA-N 0 1 294.826 3.754 20 0 CHADMN CCCN(CC)Cc1cc(Cl)cnc1OC(C)C ZINC001233164986 1132577470 /nfs/dbraw/zinc/57/74/70/1132577470.db2.gz PDTWPLOJSBRULM-UHFFFAOYSA-N 0 1 270.804 3.754 20 0 CHADMN Cc1cccc2nc(C(=O)NC3CCC(C)(C)CC3)[nH]c21 ZINC001151993914 1132578012 /nfs/dbraw/zinc/57/80/12/1132578012.db2.gz KQKSZXIKRDNQCB-UHFFFAOYSA-N 0 1 285.391 3.570 20 0 CHADMN Cc1ccc(CN2CCc3c(C)cccc3C2)cc1O ZINC001233231562 1132584292 /nfs/dbraw/zinc/58/42/92/1132584292.db2.gz VGRSCRJCRPJSBV-UHFFFAOYSA-N 0 1 267.372 3.567 20 0 CHADMN C[N@@H+](CC(=O)NC1CC(C)(C)CC(C)(C)C1)CC(C)(C)C ZINC001152652043 1132584480 /nfs/dbraw/zinc/58/44/80/1132584480.db2.gz MZXVPQTYWISMOK-UHFFFAOYSA-N 0 1 296.499 3.685 20 0 CHADMN Fc1ccc(CN2C[C@@H]3C[C@@H]3C2)c(OCc2ccccc2)c1 ZINC001233243994 1132586597 /nfs/dbraw/zinc/58/65/97/1132586597.db2.gz PYRKEDSUXKLUSG-CALCHBBNSA-N 0 1 297.373 3.856 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc([S-])cc2)CCC1(F)F ZINC001233259564 1132590120 /nfs/dbraw/zinc/59/01/20/1132590120.db2.gz XLPVLYVTKWTVEY-UHFFFAOYSA-N 0 1 271.376 3.843 20 0 CHADMN C[N@@H+](Cc1ccc([S-])cc1)Cc1cccc(F)c1F ZINC001233262317 1132592017 /nfs/dbraw/zinc/59/20/17/1132592017.db2.gz AUVWQPGZXCOITP-UHFFFAOYSA-N 0 1 279.355 3.886 20 0 CHADMN COc1cccc([C@@H]2CCCN2Cc2cc(C)ns2)c1 ZINC001233313003 1132599088 /nfs/dbraw/zinc/59/90/88/1132599088.db2.gz YUKKMIRWXIQGCP-INIZCTEOSA-N 0 1 288.416 3.797 20 0 CHADMN Cc1cnsc1CN1CCc2ccccc2[C@H]1C ZINC001233318078 1132599356 /nfs/dbraw/zinc/59/93/56/1132599356.db2.gz PBFDCZVMRJGJAJ-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN COc1cc(F)c(CN2CCC[C@](C)(F)CC2)cc1F ZINC001233340764 1132605127 /nfs/dbraw/zinc/60/51/27/1132605127.db2.gz PZOOUJFQEVOCBK-HNNXBMFYSA-N 0 1 287.325 3.688 20 0 CHADMN COc1cc(F)c(CN2CCC[C@H]3CCC[C@@H]32)cc1F ZINC001233344111 1132606568 /nfs/dbraw/zinc/60/65/68/1132606568.db2.gz OJYAIYYJGIUNOZ-ABAIWWIYSA-N 0 1 281.346 3.738 20 0 CHADMN CN(Cc1ccsc1)Cc1cc2cccnc2s1 ZINC001233348519 1132606864 /nfs/dbraw/zinc/60/68/64/1132606864.db2.gz FMAQHOHANOVKMD-UHFFFAOYSA-N 0 1 274.414 3.990 20 0 CHADMN CSc1cccc(Cl)c1CN1CC2(C1)CCOCC2 ZINC001233351868 1132608351 /nfs/dbraw/zinc/60/83/51/1132608351.db2.gz JGWZWQUCUPANPT-UHFFFAOYSA-N 0 1 297.851 3.674 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CCCc3ccccc3C2)cc1F ZINC000133963320 1132609173 /nfs/dbraw/zinc/60/91/73/1132609173.db2.gz WKGYBARXWJUNHE-UHFFFAOYSA-N 0 1 289.325 3.619 20 0 CHADMN CO[C@H](C)C1CN(Cc2c(Cl)cccc2SC)C1 ZINC001233353387 1132609301 /nfs/dbraw/zinc/60/93/01/1132609301.db2.gz SNZZVYJBKZVCCV-SNVBAGLBSA-N 0 1 285.840 3.529 20 0 CHADMN Clc1cccc2ncc(C[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)n21 ZINC001233356722 1132610074 /nfs/dbraw/zinc/61/00/74/1132610074.db2.gz WUVZUHAEARRZTB-BETUJISGSA-N 0 1 289.810 3.610 20 0 CHADMN C[C@@]1(F)CCC[N@@H+](Cc2cnc3cccc(Cl)n23)CC1 ZINC001233356403 1132610192 /nfs/dbraw/zinc/61/01/92/1132610192.db2.gz KZTNTFBTSPHATR-OAHLLOKOSA-N 0 1 295.789 3.702 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cnc3cccc(Cl)n23)CC1 ZINC001233356403 1132610198 /nfs/dbraw/zinc/61/01/98/1132610198.db2.gz KZTNTFBTSPHATR-OAHLLOKOSA-N 0 1 295.789 3.702 20 0 CHADMN Cc1ccccc1C[N@@H+](C)Cc1cnc2cccc(Cl)n12 ZINC001233358454 1132610563 /nfs/dbraw/zinc/61/05/63/1132610563.db2.gz HWCZSSBYRDXOSA-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN Cc1ccccc1CN(C)Cc1cnc2cccc(Cl)n12 ZINC001233358454 1132610566 /nfs/dbraw/zinc/61/05/66/1132610566.db2.gz HWCZSSBYRDXOSA-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN CC[N@H+]1CCN(Cc2c(Cl)cccc2SC)C[C@H]1C ZINC001233353771 1132610674 /nfs/dbraw/zinc/61/06/74/1132610674.db2.gz IZAOVYDCOUPQQK-GFCCVEGCSA-N 0 1 298.883 3.588 20 0 CHADMN Cc1ncc(CN(C)Cc2cccc3ccccc32)o1 ZINC001233366815 1132612095 /nfs/dbraw/zinc/61/20/95/1132612095.db2.gz UUJXSOVUCOXCQE-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN COc1cccc([C@@H]2CCCCN2Cc2cnc(C)o2)c1 ZINC001233367216 1132612218 /nfs/dbraw/zinc/61/22/18/1132612218.db2.gz RUFBPOSMRMUTKW-KRWDZBQOSA-N 0 1 286.375 3.719 20 0 CHADMN Nc1cc(F)c(F)cc1CN1CCC2(CC[C@@H](F)C2)CC1 ZINC001233381629 1132614126 /nfs/dbraw/zinc/61/41/26/1132614126.db2.gz MESIFUZTUAQJHA-GFCCVEGCSA-N 0 1 298.352 3.651 20 0 CHADMN COc1ccc(CN2CCC23CCCCC3)c(Cl)c1O ZINC001233398736 1132615653 /nfs/dbraw/zinc/61/56/53/1132615653.db2.gz WTVLFQPIIYGQBZ-UHFFFAOYSA-N 0 1 295.810 3.963 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1cn2ccc(Cl)cc2n1 ZINC001233391679 1132615815 /nfs/dbraw/zinc/61/58/15/1132615815.db2.gz RUKPYRUALJMCBX-NWDGAFQWSA-N 0 1 277.799 3.608 20 0 CHADMN COc1ccc(CN2[C@@H](C)CCC[C@@H]2C)c(Cl)c1O ZINC001233396964 1132616565 /nfs/dbraw/zinc/61/65/65/1132616565.db2.gz FSCKPOUCUYTHMD-QWRGUYRKSA-N 0 1 283.799 3.817 20 0 CHADMN CCN(Cc1c(F)ccc(O)c1F)C1CCCCC1 ZINC001233393430 1132616959 /nfs/dbraw/zinc/61/69/59/1132616959.db2.gz UNKNHVJPQHHNTB-UHFFFAOYSA-N 0 1 269.335 3.825 20 0 CHADMN CCOc1ccnc(NCc2cccc(OC(F)F)c2)c1 ZINC001154669716 1132622372 /nfs/dbraw/zinc/62/23/72/1132622372.db2.gz OCFWOLLDHLJYEO-UHFFFAOYSA-N 0 1 294.301 3.694 20 0 CHADMN Clc1ccc(-c2cc(Nc3ccncc3)no2)s1 ZINC001173882330 1132623120 /nfs/dbraw/zinc/62/31/20/1132623120.db2.gz NTEITFVIOWUZDL-UHFFFAOYSA-N 0 1 277.736 3.617 20 0 CHADMN Fc1cc(C(F)(F)F)c(F)cc1Nc1ccncc1 ZINC001173883437 1132623206 /nfs/dbraw/zinc/62/32/06/1132623206.db2.gz PJLJVAQROBIRCD-UHFFFAOYSA-N 0 1 274.192 3.544 20 0 CHADMN COc1ccc(Nc2ccncc2)cc1-c1ccccc1 ZINC001173883284 1132623593 /nfs/dbraw/zinc/62/35/93/1132623593.db2.gz FQGZDUBWPLGHQC-UHFFFAOYSA-N 0 1 276.339 3.923 20 0 CHADMN c1csc(-c2ccc(Nc3ccncc3)cc2)c1 ZINC001173882500 1132623676 /nfs/dbraw/zinc/62/36/76/1132623676.db2.gz NFILXYFXWPXIHX-UHFFFAOYSA-N 0 1 252.342 3.976 20 0 CHADMN Fc1ccccc1Oc1ncccc1Nc1ccncc1 ZINC001173882557 1132624141 /nfs/dbraw/zinc/62/41/41/1132624141.db2.gz ZEPMQKVPBBTWJS-UHFFFAOYSA-N 0 1 281.290 3.574 20 0 CHADMN Cc1ccc(Nc2ccncc2)c(C(F)(F)F)c1 ZINC001173884798 1132624985 /nfs/dbraw/zinc/62/49/85/1132624985.db2.gz RUBGUJAZOAEQIY-UHFFFAOYSA-N 0 1 252.239 3.574 20 0 CHADMN c1cc(-c2ccc(Nc3ccncc3)cc2)cs1 ZINC001173884066 1132625116 /nfs/dbraw/zinc/62/51/16/1132625116.db2.gz FSOJIUPBXSXRNG-UHFFFAOYSA-N 0 1 252.342 3.976 20 0 CHADMN Oc1ccc(-c2cccc(Nc3ccncc3)c2)cc1 ZINC001173884554 1132625806 /nfs/dbraw/zinc/62/58/06/1132625806.db2.gz ULNUMUBMOAGFCV-UHFFFAOYSA-N 0 1 262.312 3.620 20 0 CHADMN CC(=O)Nc1cc(Cl)c(Cl)cc1Nc1ccncc1 ZINC001173883821 1132625850 /nfs/dbraw/zinc/62/58/50/1132625850.db2.gz VKYOIMGGCFTDEH-UHFFFAOYSA-N 0 1 296.157 3.512 20 0 CHADMN Cc1cnc(NCc2ccc3c(ccn3C)c2)cc1C ZINC001154805572 1132626152 /nfs/dbraw/zinc/62/61/52/1132626152.db2.gz BXZYQZDWYPSRIW-UHFFFAOYSA-N 0 1 265.360 3.802 20 0 CHADMN Cc1cc(Nc2ccc(F)cc2C)n(-c2ccncc2)n1 ZINC001173966556 1132635936 /nfs/dbraw/zinc/63/59/36/1132635936.db2.gz JPJOIELRXGVZRQ-UHFFFAOYSA-N 0 1 282.322 3.767 20 0 CHADMN CC(C)C[C@@H]1C[C@H]1C(=O)Nc1cc(F)cc(Cl)c1O ZINC001155070168 1132639700 /nfs/dbraw/zinc/63/97/00/1132639700.db2.gz QKAJUUHMTIXULF-PSASIEDQSA-N 0 1 285.746 3.805 20 0 CHADMN Cc1cc2ccccc2c(NCc2c(C)cc(C)[nH]c2=O)n1 ZINC001155131231 1132642167 /nfs/dbraw/zinc/64/21/67/1132642167.db2.gz XCIIYVUBGLMUER-UHFFFAOYSA-N 0 1 293.370 3.873 20 0 CHADMN CCC[C@H]1CCCC[C@H]1Oc1n[nH]c(=O)cc1Cl ZINC001233590151 1132643181 /nfs/dbraw/zinc/64/31/81/1132643181.db2.gz OFAZLHFGCKNQTD-GXSJLCMTSA-N 0 1 270.760 3.573 20 0 CHADMN COc1cccc(C(C)=O)c1Nc1ccccc1CN(C)C ZINC001173932709 1132646039 /nfs/dbraw/zinc/64/60/39/1132646039.db2.gz VICODSDTYUNUEI-UHFFFAOYSA-N 0 1 298.386 3.703 20 0 CHADMN CN(C)Cc1ccccc1Nc1ccc2c(c1)CCC2=O ZINC001173932128 1132646281 /nfs/dbraw/zinc/64/62/81/1132646281.db2.gz OJTQMGIIOZGSNO-UHFFFAOYSA-N 0 1 280.371 3.621 20 0 CHADMN Cc1ccc(CN2CC=CC2)c(OCc2ccccc2)c1 ZINC001233618493 1132649891 /nfs/dbraw/zinc/64/98/91/1132649891.db2.gz MGPBYVSMHSFRFA-UHFFFAOYSA-N 0 1 279.383 3.946 20 0 CHADMN Cc1nn(C)c(C)c1CNc1nccc2cccc(C)c21 ZINC001155326062 1132653576 /nfs/dbraw/zinc/65/35/76/1132653576.db2.gz JZZYGPZHYCOPQT-UHFFFAOYSA-N 0 1 280.375 3.506 20 0 CHADMN Cc1cc(C)nc(N2Cc3ccccc3C(C)(C)C2)c1 ZINC001155470384 1132659044 /nfs/dbraw/zinc/65/90/44/1132659044.db2.gz OELXOYHUQYPRAO-UHFFFAOYSA-N 0 1 266.388 3.996 20 0 CHADMN O=C(Nc1ccc(F)c(C2CC2)c1)c1cccc2cncn21 ZINC001155798967 1132665021 /nfs/dbraw/zinc/66/50/21/1132665021.db2.gz YTIOPAOWGDEFCO-UHFFFAOYSA-N 0 1 295.317 3.603 20 0 CHADMN CCOc1cccc(CCNc2ccc(C)c(C)n2)c1 ZINC001155871253 1132668330 /nfs/dbraw/zinc/66/83/30/1132668330.db2.gz NJRPJMXMUITKEL-UHFFFAOYSA-N 0 1 270.376 3.752 20 0 CHADMN Cc1cnc(N[C@@H](c2cccnc2)C(F)(F)F)cc1C ZINC001156162853 1132685251 /nfs/dbraw/zinc/68/52/51/1132685251.db2.gz HEUWAUAZGGUOCX-ZDUSSCGKSA-N 0 1 281.281 3.809 20 0 CHADMN O=C(Nc1ccccc1Nc1ccncc1)C1=CCCCC1 ZINC001156427367 1132695293 /nfs/dbraw/zinc/69/52/93/1132695293.db2.gz VRNFJURXZCZUJW-UHFFFAOYSA-N 0 1 293.370 3.686 20 0 CHADMN Nc1cccc2ccn(-c3ccnc4ccccc43)c21 ZINC001174039651 1132703796 /nfs/dbraw/zinc/70/37/96/1132703796.db2.gz WWXXJHYOZZXBHQ-UHFFFAOYSA-N 0 1 259.312 3.761 20 0 CHADMN COCc1cccc(Nc2cc(C)nc3ccccc32)c1 ZINC001174091690 1132709474 /nfs/dbraw/zinc/70/94/74/1132709474.db2.gz DLBONERCIJQMFG-UHFFFAOYSA-N 0 1 278.355 3.855 20 0 CHADMN COc1ccnc(N(C)Cc2ccc3ccccc3c2)c1 ZINC001156868227 1132711625 /nfs/dbraw/zinc/71/16/25/1132711625.db2.gz MMDMERUTIHZGOQ-UHFFFAOYSA-N 0 1 278.355 3.880 20 0 CHADMN Cc1cnc(NC2CC(C)(C)N(O)C(C)(C)C2)c(C)c1 ZINC001156887001 1132713446 /nfs/dbraw/zinc/71/34/46/1132713446.db2.gz MYQANNYQIGQMDY-UHFFFAOYSA-N 0 1 277.412 3.521 20 0 CHADMN CC1=C(C)C[C@](C)(C(=O)NCc2cnc(C(C)C)[nH]2)CC1 ZINC001157124761 1132722429 /nfs/dbraw/zinc/72/24/29/1132722429.db2.gz OJBKUJORMGVTAA-QGZVFWFLSA-N 0 1 289.423 3.676 20 0 CHADMN COc1cc(Nc2ccc(OC(C)C)cc2)ncc1C ZINC001174109721 1132724643 /nfs/dbraw/zinc/72/46/43/1132724643.db2.gz NGEQGTSSXPBIMV-UHFFFAOYSA-N 0 1 272.348 3.929 20 0 CHADMN Cc1ccc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nc1C ZINC001157299262 1132726595 /nfs/dbraw/zinc/72/65/95/1132726595.db2.gz PSUWGMGZRJDNGI-SWLSCSKDSA-N 0 1 274.314 3.945 20 0 CHADMN C=Cc1ccc(CNc2cc(OCC)ccn2)cc1 ZINC001157778252 1132742646 /nfs/dbraw/zinc/74/26/46/1132742646.db2.gz QXPFIQRGKLYMQE-UHFFFAOYSA-N 0 1 254.333 3.735 20 0 CHADMN c1ccc2c(c1)NCC[C@H]2Nc1ccc2c(n1)CCC2 ZINC001157835012 1132746154 /nfs/dbraw/zinc/74/61/54/1132746154.db2.gz QZSUHZDOODYXHC-MRXNPFEDSA-N 0 1 265.360 3.539 20 0 CHADMN CC(C)=CCC/C(C)=C/CNc1ncc2nc(C)[nH]c2n1 ZINC001158259557 1132767242 /nfs/dbraw/zinc/76/72/42/1132767242.db2.gz PBXDAJROGPHLHJ-XYOKQWHBSA-N 0 1 285.395 3.718 20 0 CHADMN Cc1ncn(C)c1Nc1ccc2c(c1)CCC(C)(C)O2 ZINC001213012556 1132767376 /nfs/dbraw/zinc/76/73/76/1132767376.db2.gz MHSNEBHNCQECHI-UHFFFAOYSA-N 0 1 271.364 3.576 20 0 CHADMN COc1cccc(Nc2ccc3nccn3c2)c1Cl ZINC001174279384 1132769646 /nfs/dbraw/zinc/76/96/46/1132769646.db2.gz WUDPVXMGRAANSE-UHFFFAOYSA-N 0 1 273.723 3.740 20 0 CHADMN Nc1cc(Cl)cc2ccn(-c3ccc4nccn4c3)c21 ZINC001174280238 1132769926 /nfs/dbraw/zinc/76/99/26/1132769926.db2.gz RHQJHCYKVQMRKQ-UHFFFAOYSA-N 0 1 282.734 3.514 20 0 CHADMN CC(=O)c1ccc(Nc2ccc3nccn3c2)cc1Cl ZINC001174280185 1132770182 /nfs/dbraw/zinc/77/01/82/1132770182.db2.gz TZKASAPQIMGDSS-UHFFFAOYSA-N 0 1 285.734 3.934 20 0 CHADMN CCOc1c(F)cccc1Nc1ccc2nccn2c1 ZINC001174280035 1132770507 /nfs/dbraw/zinc/77/05/07/1132770507.db2.gz OQRSGOXAZPMDIL-UHFFFAOYSA-N 0 1 271.295 3.616 20 0 CHADMN COc1ccnc(N[C@@H]2C[C@@H](C)c3ccccc32)c1 ZINC001158466458 1132776886 /nfs/dbraw/zinc/77/68/86/1132776886.db2.gz GCCZRGATXUUIRH-IAQYHMDHSA-N 0 1 254.333 3.751 20 0 CHADMN Cc1cc(C)nc(Nc2cccc(-n3cccn3)c2)c1 ZINC001174299940 1132778974 /nfs/dbraw/zinc/77/89/74/1132778974.db2.gz PBIMPBHATNLWNH-UHFFFAOYSA-N 0 1 264.332 3.628 20 0 CHADMN Nc1ccc(Nc2ccc3nccn3c2)c(C(F)(F)F)c1 ZINC001174276606 1132784672 /nfs/dbraw/zinc/78/46/72/1132784672.db2.gz JSHBJQWDOZGMJN-UHFFFAOYSA-N 0 1 292.264 3.679 20 0 CHADMN O=C1CCCCc2cc(Nc3ccc4nccn4c3)ccc21 ZINC001174278517 1132786074 /nfs/dbraw/zinc/78/60/74/1132786074.db2.gz XJXHKXWXTORKMJ-UHFFFAOYSA-N 0 1 291.354 3.987 20 0 CHADMN Cc1ccnc(NCCc2coc3ccccc23)c1 ZINC001158659476 1132787481 /nfs/dbraw/zinc/78/74/81/1132787481.db2.gz SNTIOVVDISVOQV-UHFFFAOYSA-N 0 1 252.317 3.791 20 0 CHADMN CCCc1ccc(C(=O)NCc2ccc3nc[nH]c3c2)s1 ZINC001158844837 1132797061 /nfs/dbraw/zinc/79/70/61/1132797061.db2.gz GGJVCAGLOIVKCZ-UHFFFAOYSA-N 0 1 299.399 3.507 20 0 CHADMN c1n[nH]c2cccc(Nc3cccnc3C3CC3)c12 ZINC001174342537 1132799531 /nfs/dbraw/zinc/79/95/31/1132799531.db2.gz CWDLJGMPRAOOTG-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN c1n[nH]c2cccc(Nc3nccc4ccccc43)c12 ZINC001174342627 1132799737 /nfs/dbraw/zinc/79/97/37/1132799737.db2.gz SHOPUGOMOMCWAY-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN Nc1cc(Cl)nc(Cl)c1Nc1cccc2[nH]ncc21 ZINC001174342731 1132800248 /nfs/dbraw/zinc/80/02/48/1132800248.db2.gz FGCIGQNJPNKGLD-UHFFFAOYSA-N 0 1 294.145 3.591 20 0 CHADMN Nc1ccc(Nc2cccc3[nH]ncc32)c(C(F)(F)F)c1 ZINC001174343945 1132802116 /nfs/dbraw/zinc/80/21/16/1132802116.db2.gz HCEFCFHZYNXOMV-UHFFFAOYSA-N 0 1 292.264 3.908 20 0 CHADMN Cc1cc(Nc2cccc3[nH]ncc32)cc(Cl)n1 ZINC001174343812 1132802362 /nfs/dbraw/zinc/80/23/62/1132802362.db2.gz ZIEFYIGLHFUSHK-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1c(O)ccc(Nc2cccc3[nH]ncc32)c1C ZINC001174345603 1132803172 /nfs/dbraw/zinc/80/31/72/1132803172.db2.gz ISQGWYTTWBBPPJ-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COc1ccc2cc(Nc3cccc4[nH]ncc43)ccc2n1 ZINC001174345649 1132803508 /nfs/dbraw/zinc/80/35/08/1132803508.db2.gz LBZZXLKZXSRCFB-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN Cc1cc(O)cc(C)c1Nc1cccc2[nH]ncc21 ZINC001174344756 1132803596 /nfs/dbraw/zinc/80/35/96/1132803596.db2.gz BWFCOGUMJVJOBG-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN c1n[nH]c2cccc(Nc3ccc(-c4ccccn4)nc3)c12 ZINC001174344591 1132803992 /nfs/dbraw/zinc/80/39/92/1132803992.db2.gz IDFMJMQXKMVQIJ-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN Cc1cc(Cl)c(Nc2cccc3[nH]ncc32)cc1O ZINC001174345272 1132804117 /nfs/dbraw/zinc/80/41/17/1132804117.db2.gz QZNHIIFWHMOAKF-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN FC(F)c1ccc(Nc2cccc3[nH]ncc32)nc1 ZINC001174344652 1132804777 /nfs/dbraw/zinc/80/47/77/1132804777.db2.gz LNJBMFMWGWTOKA-UHFFFAOYSA-N 0 1 260.247 3.639 20 0 CHADMN Cc1cc(Nc2cccc3[nH]ncc32)c(C)cc1N ZINC001174345572 1132805046 /nfs/dbraw/zinc/80/50/46/1132805046.db2.gz HGWOVIHRNZAFJM-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN COc1ccc(Nc2cccc3[nH]ncc32)c(C)c1 ZINC001174344881 1132805063 /nfs/dbraw/zinc/80/50/63/1132805063.db2.gz RTOUOOXMDBYYTR-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN CCOc1ccc(Nc2cccc3[nH]ncc32)cc1F ZINC001174348313 1132806193 /nfs/dbraw/zinc/80/61/93/1132806193.db2.gz XUYNWGUQVDQBGU-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN Cn1ccc2ccc(Nc3cc([C@@H]4CCCCN4)no3)cc21 ZINC001159309616 1132828460 /nfs/dbraw/zinc/82/84/60/1132828460.db2.gz WRJJZDXOYWVDON-AWEZNQCLSA-N 0 1 296.374 3.725 20 0 CHADMN Cc1ccc(C)c(Nc2cc([C@@H]3CCCCN3)no2)c1 ZINC001159309314 1132828534 /nfs/dbraw/zinc/82/85/34/1132828534.db2.gz SLZWRZNDOSLPEH-ZDUSSCGKSA-N 0 1 271.364 3.850 20 0 CHADMN COc1c(C)cccc1Nc1cc([C@H]2CCCCN2)no1 ZINC001159312059 1132829664 /nfs/dbraw/zinc/82/96/64/1132829664.db2.gz VMENVNVFDBVGMS-GFCCVEGCSA-N 0 1 287.363 3.550 20 0 CHADMN Cc1ccc(Nc2cc([C@H]3CCCCN3)no2)cc1F ZINC001159309890 1132830105 /nfs/dbraw/zinc/83/01/05/1132830105.db2.gz YXLKTYCKOULHGM-CYBMUJFWSA-N 0 1 275.327 3.680 20 0 CHADMN c1[nH]nc2cc(Nc3ccc(N4CCCC4)cc3)ccc12 ZINC001174500221 1132860913 /nfs/dbraw/zinc/86/09/13/1132860913.db2.gz LDKOKRWWAFRTLT-UHFFFAOYSA-N 0 1 278.359 3.907 20 0 CHADMN c1[nH]nc2cc(Nc3ccc4cnccc4c3)ccc12 ZINC001174500246 1132861596 /nfs/dbraw/zinc/86/15/96/1132861596.db2.gz MOEFKXAIEHDYFG-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN FC(F)c1ccc(Nc2ccc3c[nH]nc3c2)cn1 ZINC001174498298 1132863276 /nfs/dbraw/zinc/86/32/76/1132863276.db2.gz JHVBBLTYLUMBJL-UHFFFAOYSA-N 0 1 260.247 3.639 20 0 CHADMN CC(=O)c1ccnc(Cl)c1Nc1ccc2c[nH]nc2c1 ZINC001174497693 1132863298 /nfs/dbraw/zinc/86/32/98/1132863298.db2.gz FXEHKHYBLFRHJG-UHFFFAOYSA-N 0 1 286.722 3.558 20 0 CHADMN CC(C)c1c(Cl)ncnc1Nc1ccc2cn[nH]c2c1 ZINC001174498923 1132864045 /nfs/dbraw/zinc/86/40/45/1132864045.db2.gz MJKVIKUCTGZLLM-UHFFFAOYSA-N 0 1 287.754 3.873 20 0 CHADMN FC(F)(F)Oc1ccc(Nc2ccc3c[nH]nc3c2)cn1 ZINC001174498241 1132864283 /nfs/dbraw/zinc/86/42/83/1132864283.db2.gz IEFVUQIVWOLBST-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN Cc1ncc(C2CC2)cc1Nc1cccc2[nH]ncc21 ZINC001159575289 1132864821 /nfs/dbraw/zinc/86/48/21/1132864821.db2.gz VLDYYOZRYDTLIJ-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Fc1ncc(C(F)(F)F)cc1Nc1ccc2c[nH]nc2c1 ZINC001174498408 1132864948 /nfs/dbraw/zinc/86/49/48/1132864948.db2.gz CSZXHOKAYCHRRZ-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Cc1c(Nc2cccc3[nH]ncc32)cnn1-c1ccccc1 ZINC001159574652 1132865078 /nfs/dbraw/zinc/86/50/78/1132865078.db2.gz JVNWZGJRSIUORL-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN COc1ccc(Nc2ccc3c[nH]nc3c2)c(C)c1 ZINC001174499353 1132865845 /nfs/dbraw/zinc/86/58/45/1132865845.db2.gz SXUKSXDPSBFNMD-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN CC(C)(C[NH3+])c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001159581647 1132867717 /nfs/dbraw/zinc/86/77/17/1132867717.db2.gz NANWBOCMLHVPDK-UHFFFAOYSA-N 0 1 292.329 3.650 20 0 CHADMN [O-]c1c(Cl)cc(Cl)cc1NC1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001159591920 1132869728 /nfs/dbraw/zinc/86/97/28/1132869728.db2.gz WPESVEDLXRFDMW-BDAKNGLRSA-N 0 1 285.174 3.519 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccccc1N ZINC001159591428 1132870155 /nfs/dbraw/zinc/87/01/55/1132870155.db2.gz PZRRWLMLLQVYLA-UHFFFAOYSA-N 0 1 265.316 3.569 20 0 CHADMN CCOC(=O)C[C@H]1CC[C@H](Nc2ncc(C)cc2C)CC1 ZINC001159606112 1132872601 /nfs/dbraw/zinc/87/26/01/1132872601.db2.gz YQGYCQXDYKXWNA-SHTZXODSSA-N 0 1 290.407 3.622 20 0 CHADMN FC(F)(F)c1ccncc1Nc1ccc2c[nH]nc2c1 ZINC001174499759 1132872899 /nfs/dbraw/zinc/87/28/99/1132872899.db2.gz WFCJXIPRUUIWTJ-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN COc1c(F)c(C)ccc1Nc1ccc2c[nH]nc2c1 ZINC001159662733 1132887080 /nfs/dbraw/zinc/88/70/80/1132887080.db2.gz BLMRPGAVVOMVDX-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1cc2ccccc2c(NCOc2ccccc2)n1 ZINC001159705043 1132895191 /nfs/dbraw/zinc/89/51/91/1132895191.db2.gz OKZKYAANKPIBTD-UHFFFAOYSA-N 0 1 264.328 3.992 20 0 CHADMN Cc1ccc(CCCO)c(Nc2ccc3c[nH]nc3c2)c1 ZINC001174501488 1132902355 /nfs/dbraw/zinc/90/23/55/1132902355.db2.gz VWBPGPXGUCUOAS-UHFFFAOYSA-N 0 1 281.359 3.540 20 0 CHADMN CC(=O)n1ccc2cc(Nc3ccc4c[nH]nc4c3)ccc21 ZINC001174500682 1132902458 /nfs/dbraw/zinc/90/24/58/1132902458.db2.gz NVMHEWQWLZXKRR-UHFFFAOYSA-N 0 1 290.326 3.921 20 0 CHADMN Cc1c(O)ccc(Nc2ccc3c[nH]nc3c2)c1C ZINC001174501042 1132902574 /nfs/dbraw/zinc/90/25/74/1132902574.db2.gz FGGFIHRYZKZXQF-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Oc1ccc(Nc2ccc3c[nH]nc3c2)cc1Cl ZINC001174501655 1132902977 /nfs/dbraw/zinc/90/29/77/1132902977.db2.gz DAODDRMZCLTJGW-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN COc1cccc(C(C)=O)c1Nc1ccc2c[nH]nc2c1 ZINC001174501457 1132903125 /nfs/dbraw/zinc/90/31/25/1132903125.db2.gz UILBDTJDMKBZRN-UHFFFAOYSA-N 0 1 281.315 3.518 20 0 CHADMN COc1cc(Cl)ccc1Nc1ccc2c[nH]nc2c1 ZINC001174501849 1132903189 /nfs/dbraw/zinc/90/31/89/1132903189.db2.gz JZDVRBLRQLPUTO-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN Fc1cnc2cccc(Nc3ccc4c[nH]nc4c3)c2c1 ZINC001174501247 1132903295 /nfs/dbraw/zinc/90/32/95/1132903295.db2.gz ZNPXYFDRIZBTNE-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4nc(N)sc4c3)cc12 ZINC001159820249 1132911305 /nfs/dbraw/zinc/91/13/05/1132911305.db2.gz ASRJFRILCMZFMZ-UHFFFAOYSA-N 0 1 295.371 3.807 20 0 CHADMN Cc1ccc(Nc2ccc3nc(N)sc3c2)c2cn[nH]c21 ZINC001159821716 1132913110 /nfs/dbraw/zinc/91/31/10/1132913110.db2.gz CECGVRJVMSWAHL-UHFFFAOYSA-N 0 1 295.371 3.807 20 0 CHADMN COc1cccc(Nc2cc(Cl)cc3[nH]ncc32)c1N ZINC001159913914 1132924236 /nfs/dbraw/zinc/92/42/36/1132924236.db2.gz WSULODKJAAIFSJ-UHFFFAOYSA-N 0 1 288.738 3.551 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC001160104821 1132939173 /nfs/dbraw/zinc/93/91/73/1132939173.db2.gz VPZQIIUACIJJHR-XHSDSOJGSA-N 0 1 282.472 3.534 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC001160104821 1132939177 /nfs/dbraw/zinc/93/91/77/1132939177.db2.gz VPZQIIUACIJJHR-XHSDSOJGSA-N 0 1 282.472 3.534 20 0 CHADMN COC(=O)[C@]1(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCC(C)(C)C1 ZINC001174680561 1132946178 /nfs/dbraw/zinc/94/61/78/1132946178.db2.gz JIQWXRMHJCEBIA-BSXFFOKHSA-N 0 1 293.451 3.524 20 0 CHADMN C([C@H]1CCC2(CCCCCC2)O1)N1CCO[C@@H]2CCC[C@@H]21 ZINC001174689645 1132947367 /nfs/dbraw/zinc/94/73/67/1132947367.db2.gz FEVCTQZOTKZRFR-IXDOHACOSA-N 0 1 293.451 3.512 20 0 CHADMN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C[Si](C)(C)C ZINC001174690869 1132947376 /nfs/dbraw/zinc/94/73/76/1132947376.db2.gz MPTLICCXOIVKCW-SWLSCSKDSA-N 0 1 297.902 3.979 20 0 CHADMN CCOc1cc(Nc2ccc3nc[nH]c3c2)ccc1F ZINC001160224478 1132949860 /nfs/dbraw/zinc/94/98/60/1132949860.db2.gz RDFZSQAMMTURKU-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN O=C([O-])c1ccc(Nc2ccc3[nH]c[nH+]c3c2)c(Cl)c1 ZINC001160224541 1132949962 /nfs/dbraw/zinc/94/99/62/1132949962.db2.gz SEJSEXCTLOVCRB-UHFFFAOYSA-N 0 1 287.706 3.658 20 0 CHADMN Cc1ccc(N[C@H](c2ccccc2)C2(O)CCC2)nc1C ZINC001160535982 1132974190 /nfs/dbraw/zinc/97/41/90/1132974190.db2.gz KCHNDKMMJDPDDN-QGZVFWFLSA-N 0 1 282.387 3.767 20 0 CHADMN CCCN(CCC)C(=O)c1ccc(O)c(C(F)(F)F)c1 ZINC001160864448 1132984940 /nfs/dbraw/zinc/98/49/40/1132984940.db2.gz SIUBJZIROJOLEP-UHFFFAOYSA-N 0 1 289.297 3.673 20 0 CHADMN COCc1ccc(CNc2ccc3c(n2)CCCC3)cc1 ZINC001161326962 1132997983 /nfs/dbraw/zinc/99/79/83/1132997983.db2.gz JNLQTPUVPVZMTC-UHFFFAOYSA-N 0 1 282.387 3.719 20 0 CHADMN CC(C)N(C(=O)[C@H](N)c1ccccc1)[C@@H](C)c1ccccc1 ZINC001161442879 1133001766 /nfs/dbraw/zinc/00/17/66/1133001766.db2.gz IFGJJNOATVOXIP-MAUKXSAKSA-N 0 1 296.414 3.685 20 0 CHADMN CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)c(O)c1 ZINC001161553840 1133005519 /nfs/dbraw/zinc/00/55/19/1133005519.db2.gz OKXGBRNBXGZPNM-DGCLKSJQSA-N 0 1 295.810 3.990 20 0 CHADMN Cc1ccccc1CNc1cc(OCC(F)(F)F)ccn1 ZINC001161623546 1133011091 /nfs/dbraw/zinc/01/10/91/1133011091.db2.gz GGDFGFBWRQMYBN-UHFFFAOYSA-N 0 1 296.292 3.943 20 0 CHADMN COc1ncccc1[C@H](Nc1ccc(C)c(C)n1)C1CC1 ZINC001161782041 1133029197 /nfs/dbraw/zinc/02/91/97/1133029197.db2.gz CSKRFCVOZCBQGE-MRXNPFEDSA-N 0 1 283.375 3.665 20 0 CHADMN COc1ncccc1[C@H](Nc1ccc2c(n1)CCC2)C1CC1 ZINC001161783449 1133029234 /nfs/dbraw/zinc/02/92/34/1133029234.db2.gz PCRXGMDTBRUAPY-QGZVFWFLSA-N 0 1 295.386 3.537 20 0 CHADMN c1nc2c(nccc2N[C@H](c2ccccc2)C2CC2)[nH]1 ZINC001161963115 1133043785 /nfs/dbraw/zinc/04/37/85/1133043785.db2.gz VCQUDYBSTSKDJF-CQSZACIVSA-N 0 1 264.332 3.521 20 0 CHADMN CCOc1ccc([C@@H](C)Nc2ncc(C)cc2N)cc1 ZINC001161977876 1133046252 /nfs/dbraw/zinc/04/62/52/1133046252.db2.gz ZLAPGTXWKNQTQA-GFCCVEGCSA-N 0 1 271.364 3.544 20 0 CHADMN Cn1ccc2cc(CNc3ccc4nc[nH]c4c3)ccc21 ZINC001162172946 1133057305 /nfs/dbraw/zinc/05/73/05/1133057305.db2.gz NEWAHSVCYSJUNZ-UHFFFAOYSA-N 0 1 276.343 3.667 20 0 CHADMN CN(C(=O)[C@@H]1CCN1C(C)(C)C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001162248273 1133064051 /nfs/dbraw/zinc/06/40/51/1133064051.db2.gz GRYALTJSZZXLBC-ZNMIVQPWSA-N 0 1 294.483 3.532 20 0 CHADMN Cc1cnc(NC[C@H]2CCC(F)(F)C2)c2[nH]ccc21 ZINC001162646420 1133098885 /nfs/dbraw/zinc/09/88/85/1133098885.db2.gz FPBILEXCEBXCFB-JTQLQIEISA-N 0 1 265.307 3.719 20 0 CHADMN Cc1cnc(NC[C@@H](O)c2cc3ccccc3o2)cc1C ZINC001162697955 1133104763 /nfs/dbraw/zinc/10/47/63/1133104763.db2.gz RJZVDNBVKVFFLG-CQSZACIVSA-N 0 1 282.343 3.590 20 0 CHADMN Fc1ccc(F)c2c1CC[C@H]2Nc1ccc2c(n1)CCC2 ZINC001162931413 1133122712 /nfs/dbraw/zinc/12/27/12/1133122712.db2.gz GCAPFVOCAIXXIU-OAHLLOKOSA-N 0 1 286.325 3.948 20 0 CHADMN Cc1ccc2c(ccnc2NCCC(=O)OC(C)(C)C)c1 ZINC001163408198 1133148727 /nfs/dbraw/zinc/14/87/27/1133148727.db2.gz QDCGXGDPBOAMTC-UHFFFAOYSA-N 0 1 286.375 3.687 20 0 CHADMN Clc1cc(N[C@H]2CCCC23CCC3)c2nc[nH]c2n1 ZINC001163519135 1133155746 /nfs/dbraw/zinc/15/57/46/1133155746.db2.gz XFWVNUYKLGFOQE-JTQLQIEISA-N 0 1 276.771 3.746 20 0 CHADMN CCOc1cccc(CCNc2nc(C)ccc2C)c1 ZINC001163712721 1133167693 /nfs/dbraw/zinc/16/76/93/1133167693.db2.gz ZQPICCVJQIOEQO-UHFFFAOYSA-N 0 1 270.376 3.752 20 0 CHADMN CC(C)Oc1ccnc(N2CCc3ccccc3[C@@H]2C)c1 ZINC001163955767 1133187284 /nfs/dbraw/zinc/18/72/84/1133187284.db2.gz DAUYKGCUHUPGBY-AWEZNQCLSA-N 0 1 282.387 3.993 20 0 CHADMN C[C@@H](Nc1nccc2nn[nH]c21)c1ccc2ccccc2c1 ZINC001164139190 1133200471 /nfs/dbraw/zinc/20/04/71/1133200471.db2.gz MNFHAQOXJBPOCM-LLVKDONJSA-N 0 1 289.342 3.679 20 0 CHADMN CC[C@H](Nc1nccnc1CN)c1cccc2ccccc21 ZINC001164165052 1133202427 /nfs/dbraw/zinc/20/24/27/1133202427.db2.gz PFLFDBGNUUYYDF-INIZCTEOSA-N 0 1 292.386 3.652 20 0 CHADMN FC(F)(F)c1cnccc1NC[C@H]1C[C@H]1C1CCCC1 ZINC001164380005 1133217258 /nfs/dbraw/zinc/21/72/58/1133217258.db2.gz QQDTYUPBVWEXIM-NEPJUHHUSA-N 0 1 284.325 3.761 20 0 CHADMN CCOc1ccc2nc(SC/C=C(/C)COC)[nH]c2c1 ZINC001164584250 1133224340 /nfs/dbraw/zinc/22/43/40/1133224340.db2.gz XBJBGEULAHLUKX-XFFZJAGNSA-N 0 1 292.404 3.646 20 0 CHADMN CCOc1ccnc(N2CCC3(CCCC3)CC2)c1 ZINC001165323446 1133239933 /nfs/dbraw/zinc/23/99/33/1133239933.db2.gz RFZPXIAXXUALCG-UHFFFAOYSA-N 0 1 260.381 3.641 20 0 CHADMN CC[C@H](C)CSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC001165719680 1133249438 /nfs/dbraw/zinc/24/94/38/1133249438.db2.gz IUVRVSPDBROXDX-QMMMGPOBSA-N 0 1 283.347 3.888 20 0 CHADMN CC(C)(C(=O)NOc1ccc(F)cc1)C1CCCCC1 ZINC001165800976 1133251888 /nfs/dbraw/zinc/25/18/88/1133251888.db2.gz ROLVCVSIUMQMFB-UHFFFAOYSA-N 0 1 279.355 3.842 20 0 CHADMN CC(C)(C)c1ccc(CN2CC3(CSC3)C2)cc1 ZINC001204398947 1133260495 /nfs/dbraw/zinc/26/04/95/1133260495.db2.gz NRIMVDLFFGTMAA-UHFFFAOYSA-N 0 1 261.434 3.533 20 0 CHADMN COc1ccnc(N2CCC[C@H](Cc3ccccc3)C2)c1 ZINC001166563347 1133270921 /nfs/dbraw/zinc/27/09/21/1133270921.db2.gz OWTLWHQYHPANEV-MRXNPFEDSA-N 0 1 282.387 3.549 20 0 CHADMN Cc1ccc(N(C)Cc2ccc(Cl)cc2)nc1C ZINC001166676410 1133280285 /nfs/dbraw/zinc/28/02/85/1133280285.db2.gz HNGSFCIJQDCWJB-UHFFFAOYSA-N 0 1 260.768 3.988 20 0 CHADMN C[C@@H]1N(C(=O)c2c(O)cccc2F)c2ccccc2C1(C)C ZINC001166722641 1133284045 /nfs/dbraw/zinc/28/40/45/1133284045.db2.gz YYZBHZFUKFOBNA-NSHDSACASA-N 0 1 299.345 3.858 20 0 CHADMN Cc1ccc(CNC/C=C/c2ccc(F)cc2F)o1 ZINC001203270739 1133309045 /nfs/dbraw/zinc/30/90/45/1133309045.db2.gz NIMRORJKOZFKBU-NSCUHMNNSA-N 0 1 263.287 3.669 20 0 CHADMN Fc1cccc(Cl)c1CN1CC2CCC1CC2 ZINC001203407001 1133322198 /nfs/dbraw/zinc/32/21/98/1133322198.db2.gz YLLKHHBMUPHHKQ-UHFFFAOYSA-N 0 1 253.748 3.854 20 0 CHADMN C[C@@H]1CN(Cc2c(Cl)cccc2Cl)CCC[C@@H]1O ZINC001203416457 1133324967 /nfs/dbraw/zinc/32/49/67/1133324967.db2.gz LPYISNXRHLSNOP-YGRLFVJLSA-N 0 1 288.218 3.586 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cnc(OC)c(C)c1 ZINC001203520375 1133335283 /nfs/dbraw/zinc/33/52/83/1133335283.db2.gz QYYXMYCTCSGJTN-UHFFFAOYSA-N 0 1 295.342 3.699 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cnn(C(C)C)c1 ZINC001203523515 1133335966 /nfs/dbraw/zinc/33/59/66/1133335966.db2.gz QYMDZWZCLZPPHF-UHFFFAOYSA-N 0 1 282.347 3.764 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(N)cc1C ZINC001203526356 1133336668 /nfs/dbraw/zinc/33/66/68/1133336668.db2.gz UUIPSNLOONVVNY-UHFFFAOYSA-N 0 1 279.343 3.878 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(C)c(CO)c1 ZINC001203528731 1133336824 /nfs/dbraw/zinc/33/68/24/1133336824.db2.gz VWMUYJANHVXKAK-UHFFFAOYSA-N 0 1 294.354 3.788 20 0 CHADMN CCOc1ccccc1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001203534903 1133336965 /nfs/dbraw/zinc/33/69/65/1133336965.db2.gz JHCSXCKHEMCNFS-OKILXGFUSA-N 0 1 281.346 3.562 20 0 CHADMN Cc1cc(C)c(CN(C)Cc2cncs2)c(C)c1 ZINC001203745991 1133363785 /nfs/dbraw/zinc/36/37/85/1133363785.db2.gz IWMXJGIZCLFJJC-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN Cc1ccc(CN2CC3(C2)CC(F)(F)CS3)c(C)c1 ZINC001203739884 1133362171 /nfs/dbraw/zinc/36/21/71/1133362171.db2.gz ROLFHLKNEGYTRS-UHFFFAOYSA-N 0 1 283.387 3.630 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cccc3c2OCO3)c1 ZINC001203752666 1133365813 /nfs/dbraw/zinc/36/58/13/1133365813.db2.gz QEIKUFYMGDMONC-UHFFFAOYSA-N 0 1 283.371 3.664 20 0 CHADMN F[C@@H]1CCCN(Cc2cccc(Br)c2)CC1 ZINC001203766782 1133367053 /nfs/dbraw/zinc/36/70/53/1133367053.db2.gz GEMVLHFJPAMXIA-CYBMUJFWSA-N 0 1 286.188 3.773 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)CCC1(F)F ZINC001203784267 1133367787 /nfs/dbraw/zinc/36/77/87/1133367787.db2.gz QQHRWVIJKGFEBB-LLVKDONJSA-N 0 1 257.299 3.693 20 0 CHADMN COc1ccc(CN2CCc3ccc(C)cc3C2)cc1OC ZINC001203837341 1133375944 /nfs/dbraw/zinc/37/59/44/1133375944.db2.gz XVUHXBQIKTUPDQ-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN O=C1CCC[C@@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]12 ZINC001203887773 1133380135 /nfs/dbraw/zinc/38/01/35/1133380135.db2.gz OXJOOUODUHGUSX-OCCSQVGLSA-N 0 1 297.320 3.506 20 0 CHADMN Brc1ccc(CN2CCCCC23CC3)cc1 ZINC001203908381 1133382754 /nfs/dbraw/zinc/38/27/54/1133382754.db2.gz SRJQBCKAYITZSJ-UHFFFAOYSA-N 0 1 280.209 3.968 20 0 CHADMN Fc1ccc(CN2CC[C@H](Oc3ccc(F)cc3)C2)cc1 ZINC001203915679 1133384843 /nfs/dbraw/zinc/38/48/43/1133384843.db2.gz ATJWINYVVRESHH-KRWDZBQOSA-N 0 1 289.325 3.618 20 0 CHADMN CC(=O)Oc1ccc(CN2CC[C@@H]2c2ccccc2)cc1 ZINC001203952271 1133389685 /nfs/dbraw/zinc/38/96/85/1133389685.db2.gz XGTDXNROQYXMNC-GOSISDBHSA-N 0 1 281.355 3.559 20 0 CHADMN c1cc2n(c1)CCN(Cc1cccc3ccccc31)C2 ZINC001203982511 1133392791 /nfs/dbraw/zinc/39/27/91/1133392791.db2.gz RQCCUKQPDINDNK-UHFFFAOYSA-N 0 1 262.356 3.657 20 0 CHADMN C[C@H]1CCN(Cc2ccc3ccccc3c2)CCC1=O ZINC001203997876 1133396174 /nfs/dbraw/zinc/39/61/74/1133396174.db2.gz LWDLRBUTNSWKNE-AWEZNQCLSA-N 0 1 267.372 3.641 20 0 CHADMN Cc1ccc(N2CCN(Cc3ccsc3)CC2)c(C)c1 ZINC001204040334 1133402859 /nfs/dbraw/zinc/40/28/59/1133402859.db2.gz SWZIUOJBRCVTBO-UHFFFAOYSA-N 0 1 286.444 3.687 20 0 CHADMN c1cc(CN2CCOC[C@@H]2C2CCCCC2)cs1 ZINC001204046442 1133404187 /nfs/dbraw/zinc/40/41/87/1133404187.db2.gz YOCVMUWSCHYPCC-OAHLLOKOSA-N 0 1 265.422 3.529 20 0 CHADMN CCOc1cc(CN2Cc3ccccc3C[C@@H]2C)ccc1O ZINC001204133256 1133409248 /nfs/dbraw/zinc/40/92/48/1133409248.db2.gz OJEWZECNAWTPQH-AWEZNQCLSA-N 0 1 297.398 3.738 20 0 CHADMN COc1cccc2c1CCN(Cc1ccc(SC)cc1)C2 ZINC001204147142 1133410889 /nfs/dbraw/zinc/41/08/89/1133410889.db2.gz WYOJLHGYCKBKDS-UHFFFAOYSA-N 0 1 299.439 3.975 20 0 CHADMN CC(C)c1ccc(CN2CCOC[C@@H]2C(C)C)cc1 ZINC001204168878 1133413669 /nfs/dbraw/zinc/41/36/69/1133413669.db2.gz VJRGXXHEKWGSQR-QGZVFWFLSA-N 0 1 261.409 3.667 20 0 CHADMN Cc1ccc(CN2CC[C@H](OC(=O)OC(C)(C)C)C2)cc1 ZINC001204169603 1133415113 /nfs/dbraw/zinc/41/51/13/1133415113.db2.gz YGIVWUIPIOOSBT-HNNXBMFYSA-N 0 1 291.391 3.521 20 0 CHADMN Fc1ccc(CN2CCC[C@H]2Cc2ccccn2)c(F)c1 ZINC001204211120 1133419431 /nfs/dbraw/zinc/41/94/31/1133419431.db2.gz QBZDTCXUZFYNNX-INIZCTEOSA-N 0 1 288.341 3.567 20 0 CHADMN C[C@H]1CCN(Cc2cc(F)cc(F)c2)CCC1(F)F ZINC001204227576 1133421470 /nfs/dbraw/zinc/42/14/70/1133421470.db2.gz LXXFLZFMORXPBW-JTQLQIEISA-N 0 1 275.289 3.832 20 0 CHADMN Fc1ccc(C2CCN(Cc3ccoc3)CC2)c(F)c1 ZINC001204247047 1133424841 /nfs/dbraw/zinc/42/48/41/1133424841.db2.gz CANVTKSXGSFABB-UHFFFAOYSA-N 0 1 277.314 3.937 20 0 CHADMN FC[C@@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC001204284721 1133428502 /nfs/dbraw/zinc/42/85/02/1133428502.db2.gz RGFFXZVIBUNOKW-NSHDSACASA-N 0 1 259.727 3.661 20 0 CHADMN Cc1[nH]c2ccccc2c1CN1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001204291319 1133429982 /nfs/dbraw/zinc/42/99/82/1133429982.db2.gz JDWMRIIZNOSEGW-QAPCUYQASA-N 0 1 296.414 3.810 20 0 CHADMN CCCCCCOc1ccccc1CN1CC(COC)C1 ZINC001204296475 1133431164 /nfs/dbraw/zinc/43/11/64/1133431164.db2.gz AFXBWUMNAZBYJW-UHFFFAOYSA-N 0 1 291.435 3.724 20 0 CHADMN CCCCCCOc1ccccc1CN1CCCOCC1 ZINC001204298364 1133432930 /nfs/dbraw/zinc/43/29/30/1133432930.db2.gz QPSOVVIZBWJRHR-UHFFFAOYSA-N 0 1 291.435 3.868 20 0 CHADMN CCCOc1ccc(CN(C)Cc2ccc(C)nc2)cc1 ZINC001204310670 1133433986 /nfs/dbraw/zinc/43/39/86/1133433986.db2.gz ZIFACXIWEDNMLI-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN CCCCCOc1ccc(CN2CCSCC2)cc1 ZINC001204310723 1133434120 /nfs/dbraw/zinc/43/41/20/1133434120.db2.gz CETVHMNPBWBRMI-UHFFFAOYSA-N 0 1 279.449 3.804 20 0 CHADMN Cn1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c2ccccc21 ZINC001204319740 1133436448 /nfs/dbraw/zinc/43/64/48/1133436448.db2.gz AITRSTMYWRCYGE-WMLDXEAASA-N 0 1 268.404 3.943 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2cccc(OC(F)(F)F)c2)C1 ZINC001204429693 1133446293 /nfs/dbraw/zinc/44/62/93/1133446293.db2.gz XUSRCUYWVZQXTR-JQWIXIFHSA-N 0 1 291.288 3.765 20 0 CHADMN Fc1ccc(F)c(CN2CCC[C@@H]2C2CC2)c1Cl ZINC001204450358 1133448706 /nfs/dbraw/zinc/44/87/06/1133448706.db2.gz UTUMBJRXSSSXEU-CYBMUJFWSA-N 0 1 271.738 3.993 20 0 CHADMN Fc1cc(C(F)(F)F)ccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001204471471 1133451527 /nfs/dbraw/zinc/45/15/27/1133451527.db2.gz PSCMKCZSCNJMKN-RNCFNFMXSA-N 0 1 273.273 3.829 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3cc(C(F)(F)F)ccc3F)C[C@@H]21 ZINC001204474076 1133452639 /nfs/dbraw/zinc/45/26/39/1133452639.db2.gz IDDADMNFOPFWDH-TXEJJXNPSA-N 0 1 287.300 3.932 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cc(F)c(F)c(F)c1 ZINC001204528354 1133459007 /nfs/dbraw/zinc/45/90/07/1133459007.db2.gz ZQJIWPGIVGGWLZ-SNVBAGLBSA-N 0 1 257.299 3.868 20 0 CHADMN Fc1ccc(Br)c(CN2C[C@H]3CC[C@@H]2C3)c1 ZINC001204539755 1133460120 /nfs/dbraw/zinc/46/01/20/1133460120.db2.gz AGAVKSLFDAPAFI-JOYOIKCWSA-N 0 1 284.172 3.573 20 0 CHADMN C[C@@H]1CCN(Cc2cc(Cl)ccc2Cl)CC[C@H]1O ZINC001204563176 1133462223 /nfs/dbraw/zinc/46/22/23/1133462223.db2.gz YHUIYQOVOIMFIP-QMTHXVAHSA-N 0 1 288.218 3.586 20 0 CHADMN COc1ncc(C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)s1 ZINC001204650193 1133470886 /nfs/dbraw/zinc/47/08/86/1133470886.db2.gz DCVNVRRXHQCZOZ-JSGCOSHPSA-N 0 1 288.416 3.530 20 0 CHADMN OCc1cc(Nc2ccc(Cc3ccccc3)cc2)ccn1 ZINC001204711882 1133478873 /nfs/dbraw/zinc/47/88/73/1133478873.db2.gz HYHUNFDAXCHHHH-UHFFFAOYSA-N 0 1 290.366 3.908 20 0 CHADMN COc1cc(Cl)c(CN(C(C)C)C2CC2)cc1OC ZINC001204743568 1133480549 /nfs/dbraw/zinc/48/05/49/1133480549.db2.gz IFMGNQFKLAUHFE-UHFFFAOYSA-N 0 1 283.799 3.730 20 0 CHADMN C[C@@H]1CCc2nc(CN3CC[C@H](C)[C@@H](C)C3)sc2C1 ZINC001204767991 1133482648 /nfs/dbraw/zinc/48/26/48/1133482648.db2.gz FNFWYBOHRRKXBC-AGIUHOORSA-N 0 1 278.465 3.746 20 0 CHADMN F[C@@H]1CCC2(C1)CCN(Cc1nc3ccccc3[nH]1)CC2 ZINC001204794450 1133486736 /nfs/dbraw/zinc/48/67/36/1133486736.db2.gz ZHELSGPEHCLJCR-CYBMUJFWSA-N 0 1 287.382 3.667 20 0 CHADMN CCCN(Cc1ccnn1CCC)Cc1ccc(F)cc1 ZINC001204832369 1133490799 /nfs/dbraw/zinc/49/07/99/1133490799.db2.gz BJRZOIVSWQZELV-UHFFFAOYSA-N 0 1 289.398 3.844 20 0 CHADMN Cc1ncccc1CN(C)Cc1cccc(OC(F)F)c1 ZINC001204850171 1133492837 /nfs/dbraw/zinc/49/28/37/1133492837.db2.gz GVEXZWSQHPGFBK-UHFFFAOYSA-N 0 1 292.329 3.623 20 0 CHADMN Clc1ccc2c(c1)CN(Cc1ccc3c(c1)NCC3)CC2 ZINC001204854864 1133492916 /nfs/dbraw/zinc/49/29/16/1133492916.db2.gz USOOLIZMGWGPMM-UHFFFAOYSA-N 0 1 298.817 3.866 20 0 CHADMN Nc1ccc(CN2CC=C(c3ccc(Cl)cc3)CC2)cn1 ZINC001204869561 1133494313 /nfs/dbraw/zinc/49/43/13/1133494313.db2.gz DAFMCOIDPGCGIP-UHFFFAOYSA-N 0 1 299.805 3.607 20 0 CHADMN Cc1ccnc(CN(CC2CC2)C(C)C)c1Br ZINC001204881951 1133494808 /nfs/dbraw/zinc/49/48/08/1133494808.db2.gz XPMCTYGVGMKQHW-UHFFFAOYSA-N 0 1 297.240 3.773 20 0 CHADMN CC(C)(C)CO[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001204887468 1133495867 /nfs/dbraw/zinc/49/58/67/1133495867.db2.gz WQTIJXHYOPHMQW-HNNXBMFYSA-N 0 1 281.827 3.977 20 0 CHADMN CC[C@@H]1CN(Cc2cc3c(cccc3O)s2)C[C@@H](C)O1 ZINC001204900227 1133497448 /nfs/dbraw/zinc/49/74/48/1133497448.db2.gz YQZSVTHUKXXXPJ-VXGBXAGGSA-N 0 1 291.416 3.606 20 0 CHADMN C[C@H]1CCN(Cc2cc3c(cccc3O)s2)C[C@H]1F ZINC001204985628 1133512768 /nfs/dbraw/zinc/51/27/68/1133512768.db2.gz YHXDPPOCTLDHNG-GXFFZTMASA-N 0 1 279.380 3.787 20 0 CHADMN COCOc1ccc(-c2ccc3cncn3c2)cc1Cl ZINC001205029923 1133518412 /nfs/dbraw/zinc/51/84/12/1133518412.db2.gz WKCXMOWDJZPTNS-UHFFFAOYSA-N 0 1 288.734 3.637 20 0 CHADMN Cc1cccc(CN2CCC[C@H]2C(=O)OC(C)(C)C)c1C ZINC001205089609 1133527670 /nfs/dbraw/zinc/52/76/70/1133527670.db2.gz TXULUDJDIRASCH-INIZCTEOSA-N 0 1 289.419 3.610 20 0 CHADMN Cc1ccc(CN2CCCC[C@@](C)(F)C2)cc1F ZINC001205215153 1133547638 /nfs/dbraw/zinc/54/76/38/1133547638.db2.gz LGIWITZDQAIDTA-OAHLLOKOSA-N 0 1 253.336 3.848 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(=O)c3ccccc3)C2)cc1F ZINC001205251203 1133549770 /nfs/dbraw/zinc/54/97/70/1133549770.db2.gz IITUREOLQAEJSG-KRWDZBQOSA-N 0 1 297.373 3.839 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(=O)c3ccccc3)C2)cc1F ZINC001205251204 1133550049 /nfs/dbraw/zinc/55/00/49/1133550049.db2.gz IITUREOLQAEJSG-QGZVFWFLSA-N 0 1 297.373 3.839 20 0 CHADMN Clc1ccsc1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001205319547 1133560394 /nfs/dbraw/zinc/56/03/94/1133560394.db2.gz GIYAOVOJUMNPRN-CYBMUJFWSA-N 0 1 271.813 3.547 20 0 CHADMN Clc1ccsc1CN1CC[C@@]2(C1)CCCCO2 ZINC001205319547 1133560398 /nfs/dbraw/zinc/56/03/98/1133560398.db2.gz GIYAOVOJUMNPRN-CYBMUJFWSA-N 0 1 271.813 3.547 20 0 CHADMN Cc1cc(-c2ccc(F)c3n[nH]cc32)cc2nc[nH]c21 ZINC001205337104 1133564182 /nfs/dbraw/zinc/56/41/82/1133564182.db2.gz KLQHJISRDWBSMS-UHFFFAOYSA-N 0 1 266.279 3.554 20 0 CHADMN CCSCCO[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001205350069 1133566665 /nfs/dbraw/zinc/56/66/65/1133566665.db2.gz SWUCXGFHTAOJAF-HNNXBMFYSA-N 0 1 297.439 3.560 20 0 CHADMN Cc1cc(C)c2c(c1)C[N@H+](Cc1cccn1C1CC1)CC2 ZINC001205446924 1133578139 /nfs/dbraw/zinc/57/81/39/1133578139.db2.gz UMDKKBKKQAUERP-UHFFFAOYSA-N 0 1 280.415 3.998 20 0 CHADMN Cc1cc(C)c2c(c1)CN(Cc1cccn1C1CC1)CC2 ZINC001205446924 1133578143 /nfs/dbraw/zinc/57/81/43/1133578143.db2.gz UMDKKBKKQAUERP-UHFFFAOYSA-N 0 1 280.415 3.998 20 0 CHADMN CCCOc1ccc(CN2CCOC[C@]2(C)CC)c(C)c1 ZINC001205475856 1133581107 /nfs/dbraw/zinc/58/11/07/1133581107.db2.gz YZENWAXJAPTBLS-SFHVURJKSA-N 0 1 291.435 3.785 20 0 CHADMN FCCNC/C=C\c1ccc(OCc2ccccc2)cc1 ZINC001205588911 1133591676 /nfs/dbraw/zinc/59/16/76/1133591676.db2.gz FFBKQDHWOIFSSK-DAXSKMNVSA-N 0 1 285.362 3.838 20 0 CHADMN CCOc1c(F)c(F)ccc1-c1ccc2cncn2c1 ZINC001205804251 1133616449 /nfs/dbraw/zinc/61/64/49/1133616449.db2.gz FIHWHSGUUPSEAH-UHFFFAOYSA-N 0 1 274.270 3.678 20 0 CHADMN C[C@@H]1CN(Cc2cnc(-c3ccccc3F)s2)[C@@H]1C ZINC001206014342 1133641153 /nfs/dbraw/zinc/64/11/53/1133641153.db2.gz DRANICJYXIYLDK-GHMZBOCLSA-N 0 1 276.380 3.789 20 0 CHADMN Cc1c[nH]c2ncc(Nc3cc(C)cc(C)n3)cc12 ZINC001206017157 1133642054 /nfs/dbraw/zinc/64/20/54/1133642054.db2.gz VTFCLSPFUSQPNN-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN C(=C/c1cc2c(nn1)CNC2)\c1ccc(-c2ccccc2)cc1 ZINC001206016130 1133642196 /nfs/dbraw/zinc/64/21/96/1133642196.db2.gz HLVRBJJZQIQNBE-DHZHZOJOSA-N 0 1 299.377 3.917 20 0 CHADMN C[C@@H]1CN(Cc2cnc(-c3ccccc3F)s2)[C@H]1C ZINC001206014345 1133642572 /nfs/dbraw/zinc/64/25/72/1133642572.db2.gz DRANICJYXIYLDK-MNOVXSKESA-N 0 1 276.380 3.789 20 0 CHADMN CSc1ccc(-c2cc(N(C)C)ccn2)c(C)c1 ZINC001206071671 1133653015 /nfs/dbraw/zinc/65/30/15/1133653015.db2.gz SIXCBXKDUBIKJQ-UHFFFAOYSA-N 0 1 258.390 3.845 20 0 CHADMN CCCOc1ccc(-c2cc3[nH]cnc3cn2)c(F)c1 ZINC001206124394 1133661188 /nfs/dbraw/zinc/66/11/88/1133661188.db2.gz HUHWVNIIMFEXPQ-UHFFFAOYSA-N 0 1 271.295 3.553 20 0 CHADMN CCCOc1ccc(-c2cc3[nH]nnc3cc2F)c(F)c1 ZINC001206143557 1133663972 /nfs/dbraw/zinc/66/39/72/1133663972.db2.gz XCMBZVYNQIKHQC-UHFFFAOYSA-N 0 1 289.285 3.692 20 0 CHADMN Cc1ccc(/C=C/c2cc(-n3ccnc3)ccn2)cc1 ZINC001206153775 1133664570 /nfs/dbraw/zinc/66/45/70/1133664570.db2.gz WMZJYSBMAZFQFN-VOTSOKGWSA-N 0 1 261.328 3.746 20 0 CHADMN CC(C)Oc1cc(-c2cccc3cncn32)ccc1F ZINC001206183431 1133668297 /nfs/dbraw/zinc/66/82/97/1133668297.db2.gz DQIOWUNYLKOPNT-UHFFFAOYSA-N 0 1 270.307 3.928 20 0 CHADMN CC(C)Oc1cc(-c2cc3[nH]nnc3cc2F)ccc1F ZINC001206184575 1133668353 /nfs/dbraw/zinc/66/83/53/1133668353.db2.gz XZXFPYFIRRAILM-UHFFFAOYSA-N 0 1 289.285 3.690 20 0 CHADMN Cc1nc(C)c(CN2CCOC[C@@H]2C2CCCCC2)s1 ZINC001206192102 1133668982 /nfs/dbraw/zinc/66/89/82/1133668982.db2.gz HCKQSEHSMZGMHR-OAHLLOKOSA-N 0 1 294.464 3.541 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc([O-])c(F)c1 ZINC001206232301 1133673745 /nfs/dbraw/zinc/67/37/45/1133673745.db2.gz IHSILJHWQBYIFP-LBPRGKRZSA-N 0 1 291.341 3.733 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc([O-])c(F)c1 ZINC001206232301 1133673747 /nfs/dbraw/zinc/67/37/47/1133673747.db2.gz IHSILJHWQBYIFP-LBPRGKRZSA-N 0 1 291.341 3.733 20 0 CHADMN COc1nc(CN(C)Cc2ccc(C)c(C)c2)ccc1C ZINC001206288524 1133683504 /nfs/dbraw/zinc/68/35/04/1133683504.db2.gz UKBQFZKIEACRMQ-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN COCc1cc(C)c(-c2ccc3cncn3c2)c(C)c1 ZINC001206323554 1133689980 /nfs/dbraw/zinc/68/99/80/1133689980.db2.gz IYJYSVONQYMYCY-UHFFFAOYSA-N 0 1 266.344 3.765 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3occc3c2)C[C@@H](CC)O1 ZINC001206349981 1133693867 /nfs/dbraw/zinc/69/38/67/1133693867.db2.gz FBOTZOXIQNCOGW-HZPDHXFCSA-N 0 1 273.376 3.822 20 0 CHADMN C[C@H]1CN(C[C@@H]2C[C@H]2c2ccccc2)CC2(CCCC2)O1 ZINC001206545523 1133714928 /nfs/dbraw/zinc/71/49/28/1133714928.db2.gz WVVBLKRAEQZRHY-SZMVWBNQSA-N 0 1 285.431 3.824 20 0 CHADMN Cc1ccnc(N[C@@H](C)[C@H]2CCCCO2)c1C1CC1 ZINC001206590183 1133723701 /nfs/dbraw/zinc/72/37/01/1133723701.db2.gz JUMKVNOBVGBMOF-GXTWGEPZSA-N 0 1 260.381 3.637 20 0 CHADMN CCCOc1ccc(F)c(-c2cc3nc[nH]c3cn2)c1F ZINC001206723641 1133735250 /nfs/dbraw/zinc/73/52/50/1133735250.db2.gz YXIPRFNIHYYCFX-UHFFFAOYSA-N 0 1 289.285 3.692 20 0 CHADMN COc1nc(CNCc2ccccc2CC(C)C)ccc1C ZINC001206753705 1133741943 /nfs/dbraw/zinc/74/19/43/1133741943.db2.gz OUUZAERMFCGRAU-UHFFFAOYSA-N 0 1 298.430 3.887 20 0 CHADMN COc1cccc2nc(-c3cc(F)c(O)cc3F)ccc21 ZINC001206762016 1133742985 /nfs/dbraw/zinc/74/29/85/1133742985.db2.gz UNFSYNFDUIMQEH-UHFFFAOYSA-N 0 1 287.265 3.894 20 0 CHADMN COc1ccc2cc(-c3cc(F)c(O)cc3F)ncc2c1 ZINC001206761603 1133743162 /nfs/dbraw/zinc/74/31/62/1133743162.db2.gz OMDVKKOHDDAHFK-UHFFFAOYSA-N 0 1 287.265 3.894 20 0 CHADMN Cc1cc2ccnc(-c3cc(F)c(O)cc3F)c2[nH]1 ZINC001206762459 1133744823 /nfs/dbraw/zinc/74/48/23/1133744823.db2.gz XRWVILWTWCIYSZ-UHFFFAOYSA-N 0 1 260.243 3.522 20 0 CHADMN Oc1cc(F)c(-c2ccc(COCC3CC3)cn2)cc1F ZINC001206768063 1133745808 /nfs/dbraw/zinc/74/58/08/1133745808.db2.gz PESRXIOMMLLGAG-UHFFFAOYSA-N 0 1 291.297 3.659 20 0 CHADMN Fc1cnccc1CN1CC[C@@H](c2ccccc2Cl)C1 ZINC001206786490 1133748916 /nfs/dbraw/zinc/74/89/16/1133748916.db2.gz XXTGBMYMQQUWIG-GFCCVEGCSA-N 0 1 290.769 3.864 20 0 CHADMN CN(Cc1cc(-c2ccc(F)cc2)on1)C(C)(C)C ZINC001206834119 1133753779 /nfs/dbraw/zinc/75/37/79/1133753779.db2.gz NBUHBAQKHBMRIA-UHFFFAOYSA-N 0 1 262.328 3.711 20 0 CHADMN CC1(C)CCN(Cc2cc(-c3ccccc3)on2)CC1 ZINC001206844237 1133755460 /nfs/dbraw/zinc/75/54/60/1133755460.db2.gz UAMXGTYTHHKHHR-UHFFFAOYSA-N 0 1 270.376 3.964 20 0 CHADMN CN(Cc1cc(-c2ccccc2)on1)CC1CC(F)(F)C1 ZINC001206846327 1133755485 /nfs/dbraw/zinc/75/54/85/1133755485.db2.gz QIGKPTFRVIZTHS-UHFFFAOYSA-N 0 1 292.329 3.819 20 0 CHADMN CN(Cc1c(F)cncc1F)C12CC3CC(CC(C3)C1)C2 ZINC001206860628 1133757683 /nfs/dbraw/zinc/75/76/83/1133757683.db2.gz HSLSMFZULMDQGE-UHFFFAOYSA-N 0 1 292.373 3.760 20 0 CHADMN CCN(Cc1ccc(O)cc1)Cc1ccccc1F ZINC000086238256 1133758861 /nfs/dbraw/zinc/75/88/61/1133758861.db2.gz NGPMTJPEZFPQLL-UHFFFAOYSA-N 0 1 259.324 3.553 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)Cc1ccc[nH]c1=O ZINC001207008102 1133759775 /nfs/dbraw/zinc/75/97/75/1133759775.db2.gz BGEMFWMWCSAHCM-LLVKDONJSA-N 0 1 276.767 3.634 20 0 CHADMN Fc1ccc(C[C@@H]2CCC[N@H+]2Cc2ncccc2F)cc1 ZINC001207037297 1133761731 /nfs/dbraw/zinc/76/17/31/1133761731.db2.gz VPMSMLUVWWWWOF-HNNXBMFYSA-N 0 1 288.341 3.567 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1Cc1ncc2ccccn21 ZINC001207050296 1133763629 /nfs/dbraw/zinc/76/36/29/1133763629.db2.gz NHTCECGGUBWZQO-GOSISDBHSA-N 0 1 291.398 3.980 20 0 CHADMN C[N@@H+](Cc1cccc(=O)[nH]1)Cc1cccc2ccccc21 ZINC001207069273 1133764168 /nfs/dbraw/zinc/76/41/68/1133764168.db2.gz NACSJTNYYIQKJU-UHFFFAOYSA-N 0 1 278.355 3.572 20 0 CHADMN COc1cccc([C@@H]2CCCC[N@H+]2Cc2cccc(=O)[nH]2)c1 ZINC001207070686 1133764372 /nfs/dbraw/zinc/76/43/72/1133764372.db2.gz CGRLCPFYDQKVJT-KRWDZBQOSA-N 0 1 298.386 3.523 20 0 CHADMN COc1cccc([C@@H]2CCCCN2Cc2cccc(=O)[nH]2)c1 ZINC001207070686 1133764376 /nfs/dbraw/zinc/76/43/76/1133764376.db2.gz CGRLCPFYDQKVJT-KRWDZBQOSA-N 0 1 298.386 3.523 20 0 CHADMN CN(CCC1CC1)Cc1c(F)cccc1OC(F)F ZINC001207118852 1133769590 /nfs/dbraw/zinc/76/95/90/1133769590.db2.gz UDQBVAMPSLEOCG-UHFFFAOYSA-N 0 1 273.298 3.659 20 0 CHADMN Cc1noc(C)c1CN(Cc1ccccc1)C1CCC1 ZINC001207139757 1133772208 /nfs/dbraw/zinc/77/22/08/1133772208.db2.gz HMWWGFSWZYDYLK-UHFFFAOYSA-N 0 1 270.376 3.846 20 0 CHADMN Cc1cncc(CN(C)Cc2cccc3cccnc32)c1 ZINC001207156485 1133774505 /nfs/dbraw/zinc/77/45/05/1133774505.db2.gz AZNUJLZUSHJEBR-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN CC(C)OC1CN(C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001207197416 1133779027 /nfs/dbraw/zinc/77/90/27/1133779027.db2.gz PTJKOCJCEGINCM-BBRMVZONSA-N 0 1 279.811 3.553 20 0 CHADMN CC1=CC[C@@H](CC[N@H+]2Cc3cccnc3C2)C1(C)C ZINC001207267243 1133784226 /nfs/dbraw/zinc/78/42/26/1133784226.db2.gz CJAYCOGOEVNZSZ-HNNXBMFYSA-N 0 1 256.393 3.780 20 0 CHADMN CC1=CC[C@@H](CCN2Cc3cccnc3C2)C1(C)C ZINC001207267243 1133784229 /nfs/dbraw/zinc/78/42/29/1133784229.db2.gz CJAYCOGOEVNZSZ-HNNXBMFYSA-N 0 1 256.393 3.780 20 0 CHADMN C[C@]1(F)CCN(CC2CCC(F)(F)CC2)C[C@H]1F ZINC001207342743 1133793432 /nfs/dbraw/zinc/79/34/32/1133793432.db2.gz NAJZMFWKZAIKBQ-NEPJUHHUSA-N 0 1 267.310 3.584 20 0 CHADMN Fc1ccccc1CCN1CCOC[C@@H]1C1CCCCC1 ZINC001207502825 1133809699 /nfs/dbraw/zinc/80/96/99/1133809699.db2.gz JKCDGXVCZLAXTB-GOSISDBHSA-N 0 1 291.410 3.649 20 0 CHADMN Fc1ccccc1CCN1CC[C@H]1COCc1ccccc1 ZINC001207502456 1133810292 /nfs/dbraw/zinc/81/02/92/1133810292.db2.gz ZSAHEWIQDXWQSU-SFHVURJKSA-N 0 1 299.389 3.659 20 0 CHADMN C[C@@H]1CC(=O)CCN1CC(c1ccccc1)c1ccccc1 ZINC001207522308 1133813100 /nfs/dbraw/zinc/81/31/00/1133813100.db2.gz BPRKNLRFFRPPFN-MRXNPFEDSA-N 0 1 293.410 3.872 20 0 CHADMN Clc1cccc(CCCN2CCc3ncsc3C2)c1 ZINC001207590618 1133824405 /nfs/dbraw/zinc/82/44/05/1133824405.db2.gz OSVAXZQTIONHGU-UHFFFAOYSA-N 0 1 292.835 3.787 20 0 CHADMN CCn1cncc1CN1CC=C(c2cccc(C)c2C)CC1 ZINC001207762794 1133845732 /nfs/dbraw/zinc/84/57/32/1133845732.db2.gz BKAJHALAHGBNMU-UHFFFAOYSA-N 0 1 295.430 3.809 20 0 CHADMN C[C@]1(CN2CCc3cc(F)cc(F)c3C2)CCCS1 ZINC001207858358 1133855491 /nfs/dbraw/zinc/85/54/91/1133855491.db2.gz MDMJVUQZHLSRBJ-OAHLLOKOSA-N 0 1 283.387 3.609 20 0 CHADMN CC(C)c1ccc(C[C@@H](C)CN(C)Cc2ncccn2)cc1 ZINC001207933363 1133865925 /nfs/dbraw/zinc/86/59/25/1133865925.db2.gz YALKJRAWODXSBU-MRXNPFEDSA-N 0 1 297.446 3.911 20 0 CHADMN CC(C)c1ccc(C[C@H](C)CN2CCn3cncc3C2)cc1 ZINC001207938311 1133866439 /nfs/dbraw/zinc/86/64/39/1133866439.db2.gz YWDWHMHUZNZVNN-INIZCTEOSA-N 0 1 297.446 3.701 20 0 CHADMN Fc1cccc(F)c1[C@@H]1CCCN1C[C@H]1CCCCO1 ZINC001207962792 1133871344 /nfs/dbraw/zinc/87/13/44/1133871344.db2.gz XQRZPCQHTNLWPX-DOMZBBRYSA-N 0 1 281.346 3.671 20 0 CHADMN Cc1ccc([C@H](C)CCN2CCC(=O)[C@@H]3CCCC[C@@H]32)o1 ZINC001208150209 1133887328 /nfs/dbraw/zinc/88/73/28/1133887328.db2.gz DPOAUGVHIGPHTM-BMFZPTHFSA-N 0 1 289.419 3.915 20 0 CHADMN CC1=C[C@H](C)[C@H](CN2CCC(F)(F)[C@H](F)C2)CC1 ZINC001208158768 1133891436 /nfs/dbraw/zinc/89/14/36/1133891436.db2.gz BVWPWEWVGDKKPB-RWMBFGLXSA-N 0 1 261.331 3.658 20 0 CHADMN Cc1cc2c(cn1)CN(C[C@H]1CCC(C)=C[C@H]1C)C2 ZINC001208181405 1133901222 /nfs/dbraw/zinc/90/12/22/1133901222.db2.gz MCXNKOKPAGOSTG-UKRRQHHQSA-N 0 1 256.393 3.698 20 0 CHADMN CC/C=C\CCCCCN(C)Cc1cc(C)nn1C ZINC001208190452 1133901997 /nfs/dbraw/zinc/90/19/97/1133901997.db2.gz HSIQRCPABRUQIW-SREVYHEPSA-N 0 1 263.429 3.687 20 0 CHADMN C[C@@H]1C(=O)CCN(CCc2cccc(F)c2)C12CCCC2 ZINC001208203616 1133907367 /nfs/dbraw/zinc/90/73/67/1133907367.db2.gz QKWFZRQHHJVYAK-CQSZACIVSA-N 0 1 289.394 3.592 20 0 CHADMN COC(C)(C)CCC[C@@H](C)CCN1CC(OC(C)C)C1 ZINC001208220027 1133911208 /nfs/dbraw/zinc/91/12/08/1133911208.db2.gz SNMJSQYLBSIJLC-OAHLLOKOSA-N 0 1 285.472 3.717 20 0 CHADMN Cc1cccc(C[N@@H+](C)C[C@H]2COC3(CCCCC3)O2)c1 ZINC001208635874 1133921320 /nfs/dbraw/zinc/92/13/20/1133921320.db2.gz HEQBDTGBBCPEKL-KRWDZBQOSA-N 0 1 289.419 3.503 20 0 CHADMN O=C1CCCN(CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC001208686901 1133927719 /nfs/dbraw/zinc/92/77/19/1133927719.db2.gz KCLFTSJCSPXUEQ-UHFFFAOYSA-N 0 1 299.336 3.693 20 0 CHADMN C[C@@H](CN1CCC(=O)C[C@H]1C)c1cccc2ccccc21 ZINC001208705683 1133932599 /nfs/dbraw/zinc/93/25/99/1133932599.db2.gz JYQYTRHAPNQPRM-LSDHHAIUSA-N 0 1 281.399 3.997 20 0 CHADMN CC/C=C\CCN1CCO[C@](C)(c2ccc(C)cc2)C1 ZINC001208730156 1133937582 /nfs/dbraw/zinc/93/75/82/1133937582.db2.gz RAZOECMUTHQOFL-XFHJGTJQSA-N 0 1 273.420 3.899 20 0 CHADMN CC(C)CCC[N@H+]1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001208736114 1133937711 /nfs/dbraw/zinc/93/77/11/1133937711.db2.gz BVMKBIHWTYXBMR-GASCZTMLSA-N 0 1 295.430 3.953 20 0 CHADMN CC(C)CCC[N@H+]1CCN(C(=O)OC(C)(C)C)CC12CC2 ZINC001208735419 1133937749 /nfs/dbraw/zinc/93/77/49/1133937749.db2.gz ZXOLCXRKKQQPFW-UHFFFAOYSA-N 0 1 296.455 3.508 20 0 CHADMN CC(C)CCCN1CCN(C(=O)OC(C)(C)C)CC12CC2 ZINC001208735419 1133937752 /nfs/dbraw/zinc/93/77/52/1133937752.db2.gz ZXOLCXRKKQQPFW-UHFFFAOYSA-N 0 1 296.455 3.508 20 0 CHADMN C[N@@H+]1CC=C(Nc2cnc3cccc(Cl)c3c2)CC1 ZINC001208802636 1133946461 /nfs/dbraw/zinc/94/64/61/1133946461.db2.gz PARMNCIZRKTDPM-UHFFFAOYSA-N 0 1 273.767 3.520 20 0 CHADMN Clc1ccccc1CCCN1CCc2occc2C1 ZINC001208875528 1133956089 /nfs/dbraw/zinc/95/60/89/1133956089.db2.gz XHMLEISBPNDVAK-UHFFFAOYSA-N 0 1 275.779 3.924 20 0 CHADMN F[C@H]1CN(CCc2cccc(C(F)(F)F)c2)C[C@@H]2C[C@@H]21 ZINC001209121761 1133977017 /nfs/dbraw/zinc/97/70/17/1133977017.db2.gz JWVIKDLZCMBJCH-UBHSHLNASA-N 0 1 287.300 3.538 20 0 CHADMN Fc1cc(F)cc(CCN2CC3(C2)CCCCC3)c1 ZINC001209133810 1133980477 /nfs/dbraw/zinc/98/04/77/1133980477.db2.gz VNBNUXSLSPMVGI-UHFFFAOYSA-N 0 1 265.347 3.773 20 0 CHADMN FC(F)(F)c1ccccc1CCN1CCC[C@@H]2C[C@@H]21 ZINC001209281411 1133999179 /nfs/dbraw/zinc/99/91/79/1133999179.db2.gz FQXQGEVJQMCBBS-OCCSQVGLSA-N 0 1 269.310 3.732 20 0 CHADMN FC1CCN(CCc2ccccc2C(F)(F)F)CC1 ZINC001209279596 1133999940 /nfs/dbraw/zinc/99/99/40/1133999940.db2.gz GXUPIXCVDQLCSH-UHFFFAOYSA-N 0 1 275.289 3.682 20 0 CHADMN C[C@@H]1CC(CN2Cc3cccc(Cl)c3C2)C[C@@H](C)O1 ZINC001209399575 1134011653 /nfs/dbraw/zinc/01/16/53/1134011653.db2.gz UCBMYGSRZFXTLS-VXGBXAGGSA-N 0 1 279.811 3.859 20 0 CHADMN C[C@H]1C[C@@H]1CN1CCc2c(cccc2C(F)(F)F)C1 ZINC001209434287 1134019046 /nfs/dbraw/zinc/01/90/46/1134019046.db2.gz XLGZTRNMXISQJN-CMPLNLGQSA-N 0 1 269.310 3.720 20 0 CHADMN Cc1ccc2[nH]cc(CN3CC4(C3)CC(F)(F)C4)c2c1 ZINC001209489259 1134028565 /nfs/dbraw/zinc/02/85/65/1134028565.db2.gz GHXYUKTXVVRLBH-UHFFFAOYSA-N 0 1 276.330 3.707 20 0 CHADMN Cc1ccc(CN2CCC(Oc3ccccc3C)CC2)[nH]1 ZINC001209566617 1134037640 /nfs/dbraw/zinc/03/76/40/1134037640.db2.gz OOOFKFGIXJVULU-UHFFFAOYSA-N 0 1 284.403 3.675 20 0 CHADMN Cc1[nH]c2ncccc2c1C[N@H+]1CCC[C@@H]1c1nccs1 ZINC001209591254 1134038899 /nfs/dbraw/zinc/03/88/99/1134038899.db2.gz RJULCGREMXRCGS-CQSZACIVSA-N 0 1 298.415 3.665 20 0 CHADMN Cc1[nH]c2ncccc2c1CN1CCC[C@@H]1c1nccs1 ZINC001209591254 1134038904 /nfs/dbraw/zinc/03/89/04/1134038904.db2.gz RJULCGREMXRCGS-CQSZACIVSA-N 0 1 298.415 3.665 20 0 CHADMN C[C@@H]1CCCC[N@H+]1Cc1c[nH]c2ncc(Cl)cc12 ZINC001209591701 1134039343 /nfs/dbraw/zinc/03/93/43/1134039343.db2.gz BEXLJWHFWIVWDS-SNVBAGLBSA-N 0 1 263.772 3.591 20 0 CHADMN CC1(F)CCN(Cc2c[nH]c3ncc(Cl)cc23)CC1 ZINC001209592748 1134040519 /nfs/dbraw/zinc/04/05/19/1134040519.db2.gz OGCDIBGABLLXHX-UHFFFAOYSA-N 0 1 281.762 3.540 20 0 CHADMN Cc1[nH]c2ncccc2c1CN(Cc1ccco1)C1CC1 ZINC001209593447 1134041261 /nfs/dbraw/zinc/04/12/61/1134041261.db2.gz SCUFMZOPMUVCGT-UHFFFAOYSA-N 0 1 281.359 3.629 20 0 CHADMN COc1cccc(CN(C)Cc2cnc(Cl)cc2C)c1 ZINC001209637255 1134043939 /nfs/dbraw/zinc/04/39/39/1134043939.db2.gz VDRIHXYSBXSKBT-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN Cc1cc(Cl)ncc1CN1CCCc2ccccc2C1 ZINC001209635900 1134044282 /nfs/dbraw/zinc/04/42/82/1134044282.db2.gz KJZJVZGEPCAILS-UHFFFAOYSA-N 0 1 286.806 3.992 20 0 CHADMN C[C@H]1CC[N@H+](Cc2n[nH]c3ccc(Cl)cc32)[C@@H](C)C1 ZINC001209755464 1134056436 /nfs/dbraw/zinc/05/64/36/1134056436.db2.gz LRJGNLDTWFSZGH-QWRGUYRKSA-N 0 1 277.799 3.837 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)[C@@H](C)C1 ZINC001209755464 1134056443 /nfs/dbraw/zinc/05/64/43/1134056443.db2.gz LRJGNLDTWFSZGH-QWRGUYRKSA-N 0 1 277.799 3.837 20 0 CHADMN C[C@H]1CCN(Cc2[nH]nc3ccc(Cl)cc32)[C@@H](C)C1 ZINC001209755464 1134056449 /nfs/dbraw/zinc/05/64/49/1134056449.db2.gz LRJGNLDTWFSZGH-QWRGUYRKSA-N 0 1 277.799 3.837 20 0 CHADMN C[C@H]1CCN(Cc2n[nH]c3ccc(Cl)cc32)[C@@H](C)C1 ZINC001209755464 1134056455 /nfs/dbraw/zinc/05/64/55/1134056455.db2.gz LRJGNLDTWFSZGH-QWRGUYRKSA-N 0 1 277.799 3.837 20 0 CHADMN Clc1ccc2[nH]nc(C[N@@H+]3CC[C@@H]4CCC[C@@H]4C3)c2c1 ZINC001209752392 1134056514 /nfs/dbraw/zinc/05/65/14/1134056514.db2.gz HLHXQRLXNIUEIH-NWDGAFQWSA-N 0 1 289.810 3.838 20 0 CHADMN Clc1ccc2[nH]nc(C[N@H+]3CC[C@@H]4CCC[C@@H]4C3)c2c1 ZINC001209752392 1134056520 /nfs/dbraw/zinc/05/65/20/1134056520.db2.gz HLHXQRLXNIUEIH-NWDGAFQWSA-N 0 1 289.810 3.838 20 0 CHADMN Clc1ccc2[nH]nc(CN3CC[C@@H]4CCC[C@@H]4C3)c2c1 ZINC001209752392 1134056524 /nfs/dbraw/zinc/05/65/24/1134056524.db2.gz HLHXQRLXNIUEIH-NWDGAFQWSA-N 0 1 289.810 3.838 20 0 CHADMN C[C@@]1(F)CCCN(Cc2[nH]nc3ccc(Cl)cc32)C1 ZINC001209751632 1134056871 /nfs/dbraw/zinc/05/68/71/1134056871.db2.gz TXISETQLBALCIJ-CQSZACIVSA-N 0 1 281.762 3.540 20 0 CHADMN C[C@H]1CCC[N@H+](Cc2n[nH]c3ccc(Cl)cc32)[C@H]1C ZINC001209755399 1134057033 /nfs/dbraw/zinc/05/70/33/1134057033.db2.gz JFGYJZQQSJMYDR-QWRGUYRKSA-N 0 1 277.799 3.837 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)[C@H]1C ZINC001209755399 1134057039 /nfs/dbraw/zinc/05/70/39/1134057039.db2.gz JFGYJZQQSJMYDR-QWRGUYRKSA-N 0 1 277.799 3.837 20 0 CHADMN C[C@H]1CCCN(Cc2n[nH]c3ccc(Cl)cc32)[C@H]1C ZINC001209755399 1134057047 /nfs/dbraw/zinc/05/70/47/1134057047.db2.gz JFGYJZQQSJMYDR-QWRGUYRKSA-N 0 1 277.799 3.837 20 0 CHADMN Clc1ccc2[nH]nc(C[N@@H+]3CC[C@H]4CCC[C@H]4C3)c2c1 ZINC001209752390 1134057355 /nfs/dbraw/zinc/05/73/55/1134057355.db2.gz HLHXQRLXNIUEIH-NEPJUHHUSA-N 0 1 289.810 3.838 20 0 CHADMN Clc1ccc2[nH]nc(C[N@H+]3CC[C@H]4CCC[C@H]4C3)c2c1 ZINC001209752390 1134057362 /nfs/dbraw/zinc/05/73/62/1134057362.db2.gz HLHXQRLXNIUEIH-NEPJUHHUSA-N 0 1 289.810 3.838 20 0 CHADMN Clc1ccc2[nH]nc(CN3CC[C@H]4CCC[C@H]4C3)c2c1 ZINC001209752390 1134057370 /nfs/dbraw/zinc/05/73/70/1134057370.db2.gz HLHXQRLXNIUEIH-NEPJUHHUSA-N 0 1 289.810 3.838 20 0 CHADMN c1nc2ccc(Nc3cc(-c4cccnc4)ccn3)cc2[nH]1 ZINC001209841296 1134078376 /nfs/dbraw/zinc/07/83/76/1134078376.db2.gz IMHBAPVSGJUFFP-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN Cc1nc(Cl)c(Nc2ccc3nc[nH]c3c2)c(Cl)n1 ZINC001209843517 1134078555 /nfs/dbraw/zinc/07/85/55/1134078555.db2.gz DPJOMCOFNRLTQC-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Brc1nc(Nc2ccc3nc[nH]c3c2)cs1 ZINC001209844333 1134078937 /nfs/dbraw/zinc/07/89/37/1134078937.db2.gz LXWVRZNUZOMAKC-UHFFFAOYSA-N 0 1 295.165 3.526 20 0 CHADMN FC(F)(F)c1cccc(Nc2ccc3nc[nH]c3c2)n1 ZINC001209842084 1134079123 /nfs/dbraw/zinc/07/91/23/1134079123.db2.gz BCSDYERXWAYNKJ-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN CC(=O)c1sccc1Nc1ccc2nc[nH]c2c1 ZINC001209847300 1134081089 /nfs/dbraw/zinc/08/10/89/1134081089.db2.gz FMHUFSBLGGERKF-UHFFFAOYSA-N 0 1 257.318 3.571 20 0 CHADMN c1nc2ccc(Nc3ccc4scnc4c3)cc2[nH]1 ZINC001209847104 1134081309 /nfs/dbraw/zinc/08/13/09/1134081309.db2.gz OIWLRXMTMYNHCA-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN Cc1ccc(Nc2ccc3nc[nH]c3c2)c(F)c1F ZINC001209848993 1134083874 /nfs/dbraw/zinc/08/38/74/1134083874.db2.gz RFVAPIQSPMYJQO-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1nc(-c2ccc(Nc3ccc4nc[nH]c4c3)cc2)no1 ZINC001209848975 1134084745 /nfs/dbraw/zinc/08/47/45/1134084745.db2.gz QTHTUQZXDLEXMI-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Nc1ccc(C(F)(F)F)cc1Nc1ccc2nc[nH]c2c1 ZINC001209848392 1134085462 /nfs/dbraw/zinc/08/54/62/1134085462.db2.gz KYRFAKSUKYZBLZ-UHFFFAOYSA-N 0 1 292.264 3.908 20 0 CHADMN CCCOc1ccc(Nc2ccnn2-c2ccncc2)cc1 ZINC001209865699 1134089198 /nfs/dbraw/zinc/08/91/98/1134089198.db2.gz XJCRIROYBCCMPZ-UHFFFAOYSA-N 0 1 294.358 3.800 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(C(F)(F)F)c(F)c1 ZINC001209911393 1134101094 /nfs/dbraw/zinc/10/10/94/1134101094.db2.gz YWQGHVBBHJCISN-UHFFFAOYSA-N 0 1 273.233 3.630 20 0 CHADMN Cc1cccc2ccc(Nc3cnc(N)cc3C)nc12 ZINC001209962300 1134110798 /nfs/dbraw/zinc/11/07/98/1134110798.db2.gz UQDDZVQXKOMJCC-UHFFFAOYSA-N 0 1 264.332 3.572 20 0 CHADMN Cc1cc(N)ncc1Nc1ccccc1OC(F)(F)F ZINC001209965978 1134110936 /nfs/dbraw/zinc/11/09/36/1134110936.db2.gz LMHZQOHRIHEXRY-UHFFFAOYSA-N 0 1 283.253 3.614 20 0 CHADMN COc1ccc(Nc2cnc(N)cc2C)cc1C(F)(F)F ZINC001209967004 1134111142 /nfs/dbraw/zinc/11/11/42/1134111142.db2.gz KTCFRKBVXSRWHR-UHFFFAOYSA-N 0 1 297.280 3.743 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(-c2ccc(N)cc2)cc1 ZINC001209966532 1134111263 /nfs/dbraw/zinc/11/12/63/1134111263.db2.gz FFENFORPUGKXDK-UHFFFAOYSA-N 0 1 290.370 3.965 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(F)cc1C(C)C ZINC001209969825 1134112222 /nfs/dbraw/zinc/11/22/22/1134112222.db2.gz QUPNLSVHRZTPBV-UHFFFAOYSA-N 0 1 259.328 3.978 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc2nc(Cl)ccc21 ZINC001209971931 1134112442 /nfs/dbraw/zinc/11/24/42/1134112442.db2.gz FLGRKXXZAJAWQQ-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(Nc2cnc(N)cc2C)c(F)cc1Cl ZINC001209970950 1134112756 /nfs/dbraw/zinc/11/27/56/1134112756.db2.gz LGJLYEBYHYFMJL-UHFFFAOYSA-N 0 1 265.719 3.817 20 0 CHADMN FC1(F)CCC(=Nc2nc(Cl)cnc2Cl)CC1 ZINC001210030470 1134127599 /nfs/dbraw/zinc/12/75/99/1134127599.db2.gz AQSIKEUEDBVRPN-UHFFFAOYSA-N 0 1 280.105 3.898 20 0 CHADMN COc1ccc(Nc2cc3cn[nH]c3cc2C)c(Cl)n1 ZINC001210100643 1134145564 /nfs/dbraw/zinc/14/55/64/1134145564.db2.gz WOMPAYPRZIGBMS-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cncc(Cl)c1 ZINC001210100114 1134146075 /nfs/dbraw/zinc/14/60/75/1134146075.db2.gz GIPLXQOUECXFQN-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN COc1nc(Cl)ccc1Nc1cc2cn[nH]c2cc1C ZINC001210101566 1134146642 /nfs/dbraw/zinc/14/66/42/1134146642.db2.gz GUJKFKXPXUCVQC-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN CC(=O)c1cccc(Nc2cc3cn[nH]c3cc2C)c1O ZINC001210105028 1134147737 /nfs/dbraw/zinc/14/77/37/1134147737.db2.gz IKBXKUARRCHTEU-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(O)c(C)c1C ZINC001210105144 1134147870 /nfs/dbraw/zinc/14/78/70/1134147870.db2.gz MXSFXBDCEYIFLZ-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN COCc1ccc(Nc2cc3cn[nH]c3cc2C)cc1F ZINC001210104807 1134148034 /nfs/dbraw/zinc/14/80/34/1134148034.db2.gz DULQVGATTVPPLJ-UHFFFAOYSA-N 0 1 285.322 3.900 20 0 CHADMN CC(=O)c1ccc(F)c(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210105224 1134148054 /nfs/dbraw/zinc/14/80/54/1134148054.db2.gz RGKLRNQCMTWUOR-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN CC(=O)c1ccsc1Nc1cc2cn[nH]c2cc1C ZINC001210103288 1134148283 /nfs/dbraw/zinc/14/82/83/1134148283.db2.gz ZMEQKKCYPRFRNU-UHFFFAOYSA-N 0 1 271.345 3.879 20 0 CHADMN COc1ccc(OC)c(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210103705 1134148353 /nfs/dbraw/zinc/14/83/53/1134148353.db2.gz ZVFWPPCEAMDTRY-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2nnsc21 ZINC001210106087 1134148762 /nfs/dbraw/zinc/14/87/62/1134148762.db2.gz OIYIFETUBOMBCO-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2c(c1)[C@H](O)CCC2 ZINC001210106152 1134148823 /nfs/dbraw/zinc/14/88/23/1134148823.db2.gz QDHHJRAXILUEJH-GOSISDBHSA-N 0 1 293.370 3.985 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2c(c1)CCN2C ZINC001210106019 1134149032 /nfs/dbraw/zinc/14/90/32/1134149032.db2.gz MBMCUALLAURJON-UHFFFAOYSA-N 0 1 278.359 3.607 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(Cl)c(CO)c1 ZINC001210106582 1134149235 /nfs/dbraw/zinc/14/92/35/1134149235.db2.gz TWNJUOMJCPYHRC-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1cccc2ncc(Nc3ccc(F)c(F)c3C)n21 ZINC001210128738 1134153071 /nfs/dbraw/zinc/15/30/71/1134153071.db2.gz JFOYYZNYSRWFQE-UHFFFAOYSA-N 0 1 273.286 3.973 20 0 CHADMN Cc1nnc2cc(N=C3CCCCCCC3)ccn12 ZINC001210448658 1134215949 /nfs/dbraw/zinc/21/59/49/1134215949.db2.gz NVAKVADTUHTJCD-UHFFFAOYSA-N 0 1 256.353 3.688 20 0 CHADMN CSc1ccc(-n2c(N)nc3ccc(C)cc32)c(F)c1 ZINC001210869546 1134320197 /nfs/dbraw/zinc/32/01/97/1134320197.db2.gz KVETVOHGZXXALG-UHFFFAOYSA-N 0 1 287.363 3.777 20 0 CHADMN C=C(Nc1ccc(OC)c(F)c1OC)c1ccccc1 ZINC001210991297 1134345766 /nfs/dbraw/zinc/34/57/66/1134345766.db2.gz UPIIMCIURYHTOW-UHFFFAOYSA-N 0 1 273.307 3.926 20 0 CHADMN Cc1ncn(C)c1Nc1cncc(-c2ccccc2)c1 ZINC001211022467 1134351266 /nfs/dbraw/zinc/35/12/66/1134351266.db2.gz ZTNSYNYSCOZNKO-UHFFFAOYSA-N 0 1 264.332 3.534 20 0 CHADMN Cc1cc(Nc2cccc(CO)c2C)c2ccccc2n1 ZINC001211161363 1134381585 /nfs/dbraw/zinc/38/15/85/1134381585.db2.gz QPTVCXMEBNVGTR-UHFFFAOYSA-N 0 1 278.355 3.509 20 0 CHADMN Cn1cncc1Nc1c(O)cc(C(F)(F)F)cc1Cl ZINC001211252633 1134400551 /nfs/dbraw/zinc/40/05/51/1134400551.db2.gz RNFQNIFEBKYPMZ-UHFFFAOYSA-N 0 1 291.660 3.542 20 0 CHADMN Oc1cc(F)c(-c2cccc(-c3ccncc3)n2)cc1F ZINC001211359409 1134412147 /nfs/dbraw/zinc/41/21/47/1134412147.db2.gz GKWDYEMFGBNUFY-UHFFFAOYSA-N 0 1 284.265 3.794 20 0 CHADMN C#CCN(C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000167519956 1134415515 /nfs/dbraw/zinc/41/55/15/1134415515.db2.gz DZMBBLAFOYMOKF-UHFFFAOYSA-N 0 1 259.736 3.665 20 0 CHADMN Cc1nc2ccc(Nc3ncc(C)cc3Cl)cc2[nH]1 ZINC001213071368 1134419640 /nfs/dbraw/zinc/41/96/40/1134419640.db2.gz OEOAYDJVHZWFGS-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1nc2cc(Nc3ccc(F)c(F)c3)ccc2[nH]1 ZINC001213073065 1134421034 /nfs/dbraw/zinc/42/10/34/1134421034.db2.gz BULQFFFBDOCNRT-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1nc2cc(Nc3cncc(C4CC4)c3)ccc2[nH]1 ZINC001213072560 1134421561 /nfs/dbraw/zinc/42/15/61/1134421561.db2.gz ZVQZJOFPJZWKDS-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1nc2cc(Nc3ccc4c(c3)ncn4C)ccc2[nH]1 ZINC001213074171 1134421774 /nfs/dbraw/zinc/42/17/74/1134421774.db2.gz HGKLDZUXFUKWTH-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1nc2cc(Nc3cccc4c3CCO4)ccc2[nH]1 ZINC001213075153 1134422643 /nfs/dbraw/zinc/42/26/43/1134422643.db2.gz GOQCVWAWFNTKOV-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN Cc1nc2cc(Nc3cccc4c3C(=O)CC4)ccc2[nH]1 ZINC001213075351 1134422860 /nfs/dbraw/zinc/42/28/60/1134422860.db2.gz PNZRMFLQMCLRTH-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN COc1ccc(F)c(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213075412 1134423160 /nfs/dbraw/zinc/42/31/60/1134423160.db2.gz RSMSVPXHDBLVDO-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN COc1ccc(F)c(Nc2ccc3nc(C)[nH]c3c2)c1 ZINC001213075412 1134423165 /nfs/dbraw/zinc/42/31/65/1134423165.db2.gz RSMSVPXHDBLVDO-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN COc1ccc2nc(N)n(-c3ccc(C4CC4)cc3F)c2c1 ZINC001213454801 1134449385 /nfs/dbraw/zinc/44/93/85/1134449385.db2.gz PXHNIWBVJIWUOM-UHFFFAOYSA-N 0 1 297.333 3.633 20 0 CHADMN Cc1ccc(Cl)c(-c2noc(-c3cc(Cl)[nH]n3)n2)c1 ZINC001213500357 1134456642 /nfs/dbraw/zinc/45/66/42/1134456642.db2.gz FRYBHGAHRJVMTR-UHFFFAOYSA-N 0 1 295.129 3.742 20 0 CHADMN Fc1cc(-c2noc(-c3cc(Cl)[nH]n3)n2)ccc1Cl ZINC001213500417 1134456748 /nfs/dbraw/zinc/45/67/48/1134456748.db2.gz HGWAZAUMFCEYDM-UHFFFAOYSA-N 0 1 299.092 3.573 20 0 CHADMN COCc1ccc(C)c(Nc2cnc3cccc(C)n23)c1 ZINC001213573690 1134464904 /nfs/dbraw/zinc/46/49/04/1134464904.db2.gz BBMBUHAJVDBUSM-UHFFFAOYSA-N 0 1 281.359 3.841 20 0 CHADMN c1coc(-c2nnc(Nc3ccccc3N3CCCC3)o2)c1 ZINC001213602013 1134467789 /nfs/dbraw/zinc/46/77/89/1134467789.db2.gz QCAQSTCWWBXJIE-UHFFFAOYSA-N 0 1 296.330 3.673 20 0 CHADMN CC(C)COc1cccc(-n2c(N)nc3ccccc32)c1 ZINC001213638073 1134472250 /nfs/dbraw/zinc/47/22/50/1134472250.db2.gz WVQHQRVDTFUJDU-UHFFFAOYSA-N 0 1 281.359 3.643 20 0 CHADMN Cc1cc(Nc2cncn2C)cc(C)c1OC(C)C ZINC001213690903 1134477261 /nfs/dbraw/zinc/47/72/61/1134477261.db2.gz OXGXBWXSPUHJCO-UHFFFAOYSA-N 0 1 259.353 3.568 20 0 CHADMN CCCN(CCC)C(=O)c1cccc(Nc2ccncc2)c1 ZINC001213694858 1134477833 /nfs/dbraw/zinc/47/78/33/1134477833.db2.gz TYTGRXVBMXELDI-UHFFFAOYSA-N 0 1 297.402 3.509 20 0 CHADMN Nc1cccc(C(=S)Nc2cc(F)c(O)c(Cl)c2)c1 ZINC001214489436 1134544580 /nfs/dbraw/zinc/54/45/80/1134544580.db2.gz DREZBJYMVLNXHP-UHFFFAOYSA-N 0 1 296.754 3.555 20 0 CHADMN Oc1c(Cl)ccc(Nc2cc(F)ncc2F)c1F ZINC001214797906 1134573318 /nfs/dbraw/zinc/57/33/18/1134573318.db2.gz JGBFALVIKONGAA-UHFFFAOYSA-N 0 1 274.629 3.602 20 0 CHADMN Cc1cccc2[nH+]cc(Nc3ccc(Cl)c([O-])c3F)n21 ZINC001214797923 1134573400 /nfs/dbraw/zinc/57/34/00/1134573400.db2.gz JXTBQAYBQFFXSC-UHFFFAOYSA-N 0 1 291.713 3.884 20 0 CHADMN Oc1c(Cl)ccc(Nc2nc3c(s2)CCC3)c1F ZINC001214791327 1134573480 /nfs/dbraw/zinc/57/34/80/1134573480.db2.gz QVXNWMFGMIEXQF-UHFFFAOYSA-N 0 1 284.743 3.874 20 0 CHADMN CC(C)n1cnc(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214797922 1134574332 /nfs/dbraw/zinc/57/43/32/1134574332.db2.gz JWMXAJYSUHNDML-UHFFFAOYSA-N 0 1 269.707 3.706 20 0 CHADMN Cn1cnc2ccc(Nc3ccc(Cl)c(O)c3F)cc21 ZINC001214801446 1134574738 /nfs/dbraw/zinc/57/47/38/1134574738.db2.gz KOXHAELEADWPBU-UHFFFAOYSA-N 0 1 291.713 3.815 20 0 CHADMN COc1ccc(Nc2ccc(Cl)c(O)c2F)cc1OC ZINC001214802269 1134575117 /nfs/dbraw/zinc/57/51/17/1134575117.db2.gz ZBDFMVVVBHTNHD-UHFFFAOYSA-N 0 1 297.713 3.946 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccc3c(c2)CCO3)c1F ZINC001214801306 1134575239 /nfs/dbraw/zinc/57/52/39/1134575239.db2.gz IVLLFAGNRMJKEV-UHFFFAOYSA-N 0 1 279.698 3.863 20 0 CHADMN COC(=O)c1cccc(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214799011 1134575323 /nfs/dbraw/zinc/57/53/23/1134575323.db2.gz GVOHAZOFNPUUTN-UHFFFAOYSA-N 0 1 295.697 3.715 20 0 CHADMN Cc1ccc(N)c(N(C)c2ccc(Cl)c(O)c2F)c1 ZINC001214803928 1134575642 /nfs/dbraw/zinc/57/56/42/1134575642.db2.gz KPVUOGVXUGZAKO-UHFFFAOYSA-N 0 1 280.730 3.843 20 0 CHADMN Nc1cc(F)cc2c1ccn2-c1ccc(Cl)c(O)c1F ZINC001214807280 1134576512 /nfs/dbraw/zinc/57/65/12/1134576512.db2.gz XTGIYWDJJFQTHC-UHFFFAOYSA-N 0 1 294.688 3.850 20 0 CHADMN Nc1cccc2c1CCCN2c1ccc(Cl)c(O)c1F ZINC001214804218 1134577032 /nfs/dbraw/zinc/57/70/32/1134577032.db2.gz PFWMHOBHHGXNQO-UHFFFAOYSA-N 0 1 292.741 3.851 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000401279694 1134608056 /nfs/dbraw/zinc/60/80/56/1134608056.db2.gz HJJDUTSLEYWEJK-ARFHVFGLSA-N 0 1 281.440 3.780 20 0 CHADMN CCOc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1Cl ZINC000401530920 1134615914 /nfs/dbraw/zinc/61/59/14/1134615914.db2.gz AUKLVEWOAAUPKM-CYBMUJFWSA-N 0 1 291.782 3.951 20 0 CHADMN Cc1cccc(N[C@@H]2CCCc3[nH]ncc32)c1Cl ZINC000401614293 1134618011 /nfs/dbraw/zinc/61/80/11/1134618011.db2.gz PRVQVJACMBWXAD-LLVKDONJSA-N 0 1 261.756 3.861 20 0 CHADMN CC(C)COc1cccc(N[C@H]2CCCc3[nH]ncc32)c1 ZINC000401622324 1134618226 /nfs/dbraw/zinc/61/82/26/1134618226.db2.gz WYGCDSCZAMKSNP-INIZCTEOSA-N 0 1 285.391 3.934 20 0 CHADMN COc1ccc(Cl)c(N[C@@H]2CCCc3[nH]ncc32)c1 ZINC000401619696 1134618246 /nfs/dbraw/zinc/61/82/46/1134618246.db2.gz UPHWEWHHBUGNHI-GFCCVEGCSA-N 0 1 277.755 3.561 20 0 CHADMN COc1c(C)ccc(N[C@H]2CCCc3[nH]ncc32)c1C ZINC000401937935 1134627109 /nfs/dbraw/zinc/62/71/09/1134627109.db2.gz LPESTZZMEDONBQ-AWEZNQCLSA-N 0 1 271.364 3.525 20 0 CHADMN COc1ccc2nc(N)n(-c3ccc(SC)cc3C)c2c1 ZINC001215473956 1134630818 /nfs/dbraw/zinc/63/08/18/1134630818.db2.gz PULPBCVLFVAYCU-UHFFFAOYSA-N 0 1 299.399 3.647 20 0 CHADMN Cc1ccc(Nc2cc3[nH]ncc3c(F)c2)cc1F ZINC001215555299 1134640433 /nfs/dbraw/zinc/64/04/33/1134640433.db2.gz UFEQVTKSTFJZCQ-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN CC(C)Oc1ccc(Nc2cc3[nH]ncc3c(F)c2)cn1 ZINC001215555748 1134641045 /nfs/dbraw/zinc/64/10/45/1134641045.db2.gz NZAGYVXRNBLGSS-UHFFFAOYSA-N 0 1 286.310 3.628 20 0 CHADMN Fc1cc(F)cc(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215555508 1134641168 /nfs/dbraw/zinc/64/11/68/1134641168.db2.gz ZNKAZPPGLZJYQH-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN Fc1cc(Nc2ccc(-n3ccnc3)cc2)cc2[nH]ncc21 ZINC001215554917 1134641189 /nfs/dbraw/zinc/64/11/89/1134641189.db2.gz LJNCBPPPXDBGJI-UHFFFAOYSA-N 0 1 293.305 3.631 20 0 CHADMN Nc1cc(F)cc(Cl)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215558320 1134642432 /nfs/dbraw/zinc/64/24/32/1134642432.db2.gz PHYNWSJSSYZHJV-UHFFFAOYSA-N 0 1 294.692 3.820 20 0 CHADMN CCCOc1ccc(F)c(Nc2cnc(C)n2C)c1F ZINC001215568412 1134643239 /nfs/dbraw/zinc/64/32/39/1134643239.db2.gz IDTJGVTUBZAWHL-UHFFFAOYSA-N 0 1 281.306 3.539 20 0 CHADMN Cc1ccc(Nc2nnc(C(C)(C)C)s2)c2cn[nH]c21 ZINC001215753953 1134673400 /nfs/dbraw/zinc/67/34/00/1134673400.db2.gz HROJTPZMMNMEFC-UHFFFAOYSA-N 0 1 287.392 3.764 20 0 CHADMN Cc1ccc(Nc2cnnc(Cl)c2Cl)c2cn[nH]c21 ZINC001215756000 1134674532 /nfs/dbraw/zinc/67/45/32/1134674532.db2.gz HZMAJANIICGGTB-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1ccc(N(c2ccc(N)cn2)C2CCC2)c2cn[nH]c21 ZINC001215755969 1134674936 /nfs/dbraw/zinc/67/49/36/1134674936.db2.gz GKCMLWIRZYYOKH-UHFFFAOYSA-N 0 1 293.374 3.539 20 0 CHADMN Cc1ccc(Nc2c(Cl)cnnc2Cl)c2cn[nH]c21 ZINC001215756718 1134674992 /nfs/dbraw/zinc/67/49/92/1134674992.db2.gz WYVMHZIPOYGVAP-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1ccc(Nc2ncccc2OC(F)F)c2cn[nH]c21 ZINC001215756181 1134675009 /nfs/dbraw/zinc/67/50/09/1134675009.db2.gz MEALGPFKKSICDV-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN COc1cc(Nc2ccc(C)c3[nH]ncc32)cnc1Cl ZINC001215756196 1134675227 /nfs/dbraw/zinc/67/52/27/1134675227.db2.gz MZPNMUXDVYHJDC-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1nn(C)c2cc(Nc3ccc(C)c4[nH]ncc43)ccc12 ZINC001215758327 1134675935 /nfs/dbraw/zinc/67/59/35/1134675935.db2.gz PSZYUZZTJVWVSX-UHFFFAOYSA-N 0 1 291.358 3.810 20 0 CHADMN CC(=O)Nc1cccc(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215757118 1134676218 /nfs/dbraw/zinc/67/62/18/1134676218.db2.gz NEMDICBJXHSSDG-UHFFFAOYSA-N 0 1 280.331 3.573 20 0 CHADMN Cc1ccc(Nc2cc(F)c(N)cc2C)c2cn[nH]c21 ZINC001215758682 1134676538 /nfs/dbraw/zinc/67/65/38/1134676538.db2.gz CGXNEAFUDDCRCG-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN CC(=O)c1cccc(Nc2ccc(C)c3[nH]ncc32)c1O ZINC001215759186 1134677006 /nfs/dbraw/zinc/67/70/06/1134677006.db2.gz IUYVCXOMQHWRPB-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN Oc1cccc(F)c1-c1nc(-c2cccc3occc32)no1 ZINC001215776827 1134683698 /nfs/dbraw/zinc/68/36/98/1134683698.db2.gz VNOYEDTYTMUFJF-UHFFFAOYSA-N 0 1 296.257 3.995 20 0 CHADMN Cc1cc(OCc2ccccc2)ncc1Nc1ccncc1 ZINC001215776211 1134684098 /nfs/dbraw/zinc/68/40/98/1134684098.db2.gz CZQXWXFDPKHSDM-UHFFFAOYSA-N 0 1 291.354 3.530 20 0 CHADMN CCc1cccc(-c2noc(-c3ccc(O)c(F)c3)n2)c1 ZINC001215792626 1134688382 /nfs/dbraw/zinc/68/83/82/1134688382.db2.gz ZIUUWTXNTJHHPU-UHFFFAOYSA-N 0 1 284.290 3.811 20 0 CHADMN Oc1ccc(-c2nc(-c3ncccc3C3CC3)no2)cc1F ZINC001215795110 1134688874 /nfs/dbraw/zinc/68/88/74/1134688874.db2.gz DFQWRGYBSQQRFK-UHFFFAOYSA-N 0 1 297.289 3.521 20 0 CHADMN CSc1ccc(F)c(-n2c(N)nc3ccccc32)c1F ZINC001215837454 1134699259 /nfs/dbraw/zinc/69/92/59/1134699259.db2.gz RFLJZAXANDUQMA-UHFFFAOYSA-N 0 1 291.326 3.608 20 0 CHADMN CC(C)c1cc(Nc2ccc3nccn3c2)ccc1O ZINC001215844879 1134701055 /nfs/dbraw/zinc/70/10/55/1134701055.db2.gz ONHALLDSHWVQEL-UHFFFAOYSA-N 0 1 267.332 3.907 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccc(O)c(C(C)C)c1 ZINC001215846780 1134702018 /nfs/dbraw/zinc/70/20/18/1134702018.db2.gz WEEPQWNCXJEPPN-UHFFFAOYSA-N 0 1 281.359 3.745 20 0 CHADMN COc1cc(C)c(Nc2cc(Cl)cc3[nH]ncc32)cn1 ZINC001215857288 1134703712 /nfs/dbraw/zinc/70/37/12/1134703712.db2.gz NEAPJTCRVQDUPE-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Clc1cc2[nH]ncc2c(Nc2ccn3nccc3c2)c1 ZINC001215858048 1134704020 /nfs/dbraw/zinc/70/40/20/1134704020.db2.gz FUNMQDWTPDEMSL-UHFFFAOYSA-N 0 1 283.722 3.608 20 0 CHADMN Cc1cccc(-c2noc(-c3cccc(F)c3O)n2)c1 ZINC001215863119 1134706389 /nfs/dbraw/zinc/70/63/89/1134706389.db2.gz PDRKNZNCDIRDAH-UHFFFAOYSA-N 0 1 270.263 3.557 20 0 CHADMN COc1cc(Nc2ccc(N)cc2C(F)(F)F)ncc1C ZINC001216132056 1134788072 /nfs/dbraw/zinc/78/80/72/1134788072.db2.gz GCRPJRUNEAOIGR-UHFFFAOYSA-N 0 1 297.280 3.743 20 0 CHADMN CCc1ncsc1Nc1cccc(CN(C)C)c1F ZINC001216228829 1134812876 /nfs/dbraw/zinc/81/28/76/1134812876.db2.gz RLZWCRRXCYVQNF-UHFFFAOYSA-N 0 1 279.384 3.650 20 0 CHADMN Cc1c(Cl)nccc1Nc1cccc(CN(C)C)c1F ZINC001216227964 1134813285 /nfs/dbraw/zinc/81/32/85/1134813285.db2.gz OHCVLHPZFNICFU-UHFFFAOYSA-N 0 1 293.773 3.988 20 0 CHADMN CN(C)Cc1cccc(Nc2cc(F)cnc2Cl)c1F ZINC001216228209 1134813532 /nfs/dbraw/zinc/81/35/32/1134813532.db2.gz WEMKUDXIBCGJHZ-UHFFFAOYSA-N 0 1 297.736 3.818 20 0 CHADMN CN(C)Cc1cccc(Nc2ncc(F)cc2Cl)c1F ZINC001216227715 1134813780 /nfs/dbraw/zinc/81/37/80/1134813780.db2.gz GQGLULRRENGNTL-UHFFFAOYSA-N 0 1 297.736 3.818 20 0 CHADMN C[C@@H](O)c1cccc(Nc2cccc(CN(C)C)c2F)c1 ZINC001216231086 1134815507 /nfs/dbraw/zinc/81/55/07/1134815507.db2.gz RFAJVBCVORMCBG-GFCCVEGCSA-N 0 1 288.366 3.684 20 0 CHADMN CN(C)Cc1cccc(Nc2cccc3ocnc32)c1F ZINC001216230762 1134815645 /nfs/dbraw/zinc/81/56/45/1134815645.db2.gz BVIPGZAZYWUPHX-UHFFFAOYSA-N 0 1 285.322 3.772 20 0 CHADMN COc1cc(C)cc(Nc2cccc(CN(C)C)c2F)c1 ZINC001216232180 1134815893 /nfs/dbraw/zinc/81/58/93/1134815893.db2.gz XIWDYUAERQUPDS-UHFFFAOYSA-N 0 1 288.366 3.948 20 0 CHADMN Cc1c(CO)ccc(Nc2ccc3nccn3c2)c1Cl ZINC001216326944 1134855939 /nfs/dbraw/zinc/85/59/39/1134855939.db2.gz MZJZPAONVAFHRT-UHFFFAOYSA-N 0 1 287.750 3.532 20 0 CHADMN Cc1ncn(C)c1Nc1c(C)cc(F)cc1Cl ZINC001216402572 1134884675 /nfs/dbraw/zinc/88/46/75/1134884675.db2.gz LMSZFEIJYCPEGV-UHFFFAOYSA-N 0 1 253.708 3.573 20 0 CHADMN Cc1ccc(Nc2cncn2C)c(Cl)c1Cl ZINC001216441023 1134898071 /nfs/dbraw/zinc/89/80/71/1134898071.db2.gz XOLYVMRPNYPEPR-UHFFFAOYSA-N 0 1 256.136 3.779 20 0 CHADMN c1ncn(Cc2ccccc2)c1Nc1ccc2c(c1)COC2 ZINC001216552312 1134918035 /nfs/dbraw/zinc/91/80/35/1134918035.db2.gz MWXCYILJGXHABH-UHFFFAOYSA-N 0 1 291.354 3.705 20 0 CHADMN c1ncn(Cc2ccccc2)c1Nc1cccnc1C1CC1 ZINC001216550629 1134918262 /nfs/dbraw/zinc/91/82/62/1134918262.db2.gz LODFRGDLSOGTHU-UHFFFAOYSA-N 0 1 290.370 3.947 20 0 CHADMN Cc1ccc(N)c(N(C)c2cncn2Cc2ccccc2)c1 ZINC001216553847 1134920827 /nfs/dbraw/zinc/92/08/27/1134920827.db2.gz VOAAFSBNIHIOJT-UHFFFAOYSA-N 0 1 292.386 3.590 20 0 CHADMN CCn1ncc2cc(Nc3cc(OC)c(C)cn3)ccc21 ZINC001216590911 1134928077 /nfs/dbraw/zinc/92/80/77/1134928077.db2.gz VJTLMUPHKVVUJM-UHFFFAOYSA-N 0 1 282.347 3.512 20 0 CHADMN CC[C@@H](NCc1cc(C)ns1)c1ccccc1OC ZINC000404483446 1134946154 /nfs/dbraw/zinc/94/61/54/1134946154.db2.gz YOUYZIOMBANGCM-CQSZACIVSA-N 0 1 276.405 3.701 20 0 CHADMN Cc1ccc(-c2noc(-c3ccc(F)c(O)c3F)n2)cc1 ZINC001216985389 1134956492 /nfs/dbraw/zinc/95/64/92/1134956492.db2.gz MZDKLIKYCMAMEM-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Oc1cc(-c2nc(-c3cccc(F)c3)no2)cc(F)c1F ZINC001216973819 1134956827 /nfs/dbraw/zinc/95/68/27/1134956827.db2.gz ZPPURMMYMQQZCG-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN Cc1ccccc1-c1noc(-c2cnc3[nH]cccc2-3)n1 ZINC001217144868 1134965182 /nfs/dbraw/zinc/96/51/82/1134965182.db2.gz AXNKOJHTIVMQIO-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN Cc1cc(C)cc(-c2noc(-c3cnc4[nH]cccc3-4)n2)c1 ZINC001217145873 1134965505 /nfs/dbraw/zinc/96/55/05/1134965505.db2.gz ODJHNQNYBBFYEZ-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Cc1cccc(-c2noc(-c3cc4cccnc4[nH]3)n2)c1F ZINC001217307832 1134970784 /nfs/dbraw/zinc/97/07/84/1134970784.db2.gz LKRZVTGBJYZCIH-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1c(F)cccc1-c1noc(-c2cc3cccnc3[nH]2)n1 ZINC001217308046 1134971456 /nfs/dbraw/zinc/97/14/56/1134971456.db2.gz MVRASEMRKKYYPI-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN CCc1cccc(-c2noc(-c3cc4cccnc4[nH]3)n2)c1 ZINC001217306525 1134971569 /nfs/dbraw/zinc/97/15/69/1134971569.db2.gz WNAQXKGAYJQCCU-UHFFFAOYSA-N 0 1 290.326 3.842 20 0 CHADMN Cc1cc(F)ccc1-c1noc(-c2cnc3ccc[nH]c2-3)n1 ZINC001217398615 1134975000 /nfs/dbraw/zinc/97/50/00/1134975000.db2.gz GLPQXJZZHMUMSU-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Clc1ccc(-c2noc(-c3cnc4ccc[nH]c3-4)n2)cc1 ZINC001217398673 1134975257 /nfs/dbraw/zinc/97/52/57/1134975257.db2.gz IKQUXRVZNHFJNG-UHFFFAOYSA-N 0 1 296.717 3.933 20 0 CHADMN Oc1c2ccoc2ccc1-c1nc(-c2ccccc2F)no1 ZINC001217513723 1134980972 /nfs/dbraw/zinc/98/09/72/1134980972.db2.gz JEXDBJRBKRSHFB-UHFFFAOYSA-N 0 1 296.257 3.995 20 0 CHADMN CC(C)c1ccc(-c2nnc([C@H]3NCCC[C@H]3C)o2)cc1 ZINC001217702618 1134987350 /nfs/dbraw/zinc/98/73/50/1134987350.db2.gz MGCGQEADNUBRNH-DOMZBBRYSA-N 0 1 285.391 3.921 20 0 CHADMN Cc1cc(Cl)ccc1-c1nnc([C@@H]2NCCC[C@H]2C)o1 ZINC001217701972 1134988557 /nfs/dbraw/zinc/98/85/57/1134988557.db2.gz HGVCAZJNNKXJKT-NOZJJQNGSA-N 0 1 291.782 3.759 20 0 CHADMN CC(C)c1ccc(-c2nnc([C@H]3C[C@@H](C)CCN3)o2)cc1 ZINC001217703439 1134988869 /nfs/dbraw/zinc/98/88/69/1134988869.db2.gz VCWYRXRIQGXIKF-SWLSCSKDSA-N 0 1 285.391 3.921 20 0 CHADMN CN[C@H](CC(C)C)c1nnc(-c2ccc3c(c2)CCC3)o1 ZINC001217714653 1134990647 /nfs/dbraw/zinc/99/06/47/1134990647.db2.gz KDBFGNARTWOFMM-OAHLLOKOSA-N 0 1 285.391 3.532 20 0 CHADMN CC(C)[C@@](C)(N)c1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC001217732885 1134992359 /nfs/dbraw/zinc/99/23/59/1134992359.db2.gz IYFXSZPEUILTMR-QGZVFWFLSA-N 0 1 287.407 3.864 20 0 CHADMN CC(C)C[C@@](C)(N)c1nnc(-c2cccc(Cl)c2)o1 ZINC001217734446 1134993432 /nfs/dbraw/zinc/99/34/32/1134993432.db2.gz XVNPNHSWRRSRCK-CQSZACIVSA-N 0 1 279.771 3.610 20 0 CHADMN CN[C@H](c1nnc([C@H]2C[C@@H]2c2ccc(C)cc2)o1)C(C)(C)C ZINC001217736724 1134993441 /nfs/dbraw/zinc/99/34/41/1134993441.db2.gz MXDFBWFOMKELRZ-QLFBSQMISA-N 0 1 299.418 3.956 20 0 CHADMN CCCc1cccc(CNCc2nc3ccccc3n2C)c1 ZINC000187379614 1135008825 /nfs/dbraw/zinc/00/88/25/1135008825.db2.gz JMBDRLHCPURKHB-UHFFFAOYSA-N 0 1 293.414 3.816 20 0 CHADMN N[C@H](C(=O)Nc1ccc(F)c2ccccc12)c1ccccc1 ZINC001219258179 1135129679 /nfs/dbraw/zinc/12/96/79/1135129679.db2.gz HLHXNDXPRZWDFE-KRWDZBQOSA-N 0 1 294.329 3.617 20 0 CHADMN CC(C)CCC[C@H](C)NC(=O)c1n[nH]c2ccc(F)cc21 ZINC001220252385 1135148331 /nfs/dbraw/zinc/14/83/31/1135148331.db2.gz YVYHOSVVKKDUHR-NSHDSACASA-N 0 1 291.370 3.647 20 0 CHADMN CCCCCC[C@H](C)N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000315120962 1135151738 /nfs/dbraw/zinc/15/17/38/1135151738.db2.gz IJBMJTQRTMCDGO-NWDGAFQWSA-N 0 1 298.452 3.939 20 0 CHADMN CC(C)c1ccc(COC2CCN(CCF)CC2)cc1 ZINC001222112071 1135193668 /nfs/dbraw/zinc/19/36/68/1135193668.db2.gz JSIFCNUDIHRKGN-UHFFFAOYSA-N 0 1 279.399 3.761 20 0 CHADMN CCCOc1ccc(C)c(-c2cc(N(C)C)ccn2)c1 ZINC001222160393 1135203283 /nfs/dbraw/zinc/20/32/83/1135203283.db2.gz LXNZFUPZKJTZSC-UHFFFAOYSA-N 0 1 270.376 3.912 20 0 CHADMN COCc1ccc(Cl)c(-c2nccc3c2CCN3)c1 ZINC001222245447 1135213358 /nfs/dbraw/zinc/21/33/58/1135213358.db2.gz GRWRIPVTQDFVAF-UHFFFAOYSA-N 0 1 274.751 3.516 20 0 CHADMN Cc1nc2cc(-c3ccc(Cl)c(CO)c3F)ccc2[nH]1 ZINC001222344161 1135229834 /nfs/dbraw/zinc/22/98/34/1135229834.db2.gz RVVGKXWBXYETSO-UHFFFAOYSA-N 0 1 290.725 3.823 20 0 CHADMN Cn1cc(-c2cc3nc[nH]c3cc2F)c(-c2ccccc2)n1 ZINC001222549340 1135250142 /nfs/dbraw/zinc/25/01/42/1135250142.db2.gz GRMPZMXRQQIJFB-UHFFFAOYSA-N 0 1 292.317 3.770 20 0 CHADMN Clc1ccccc1CN1CC[C@@H](OCc2ccoc2)C1 ZINC001223784762 1135382889 /nfs/dbraw/zinc/38/28/89/1135382889.db2.gz GSCFFCQBJJHVBY-OAHLLOKOSA-N 0 1 291.778 3.724 20 0 CHADMN Fc1ccccc1CN1CCC[C@@H](OCc2ccoc2)C1 ZINC001223783457 1135382956 /nfs/dbraw/zinc/38/29/56/1135382956.db2.gz BLUIISDNHDCITM-MRXNPFEDSA-N 0 1 289.350 3.600 20 0 CHADMN Cc1ccc(F)c(O[C@@H]2CCCN(C(C)C)C2)c1F ZINC001225896803 1135635551 /nfs/dbraw/zinc/63/55/51/1135635551.db2.gz KUWWWXSLJWAOAA-GFCCVEGCSA-N 0 1 269.335 3.525 20 0 CHADMN CC[C@H](Oc1n[nH]c2ncccc12)c1ccccc1F ZINC001226304621 1135682810 /nfs/dbraw/zinc/68/28/10/1135682810.db2.gz DKDRFIWVZZGCSZ-ZDUSSCGKSA-N 0 1 271.295 3.627 20 0 CHADMN Nc1cc(O[C@@H]2CCc3ccccc3C2)c2ccccc2n1 ZINC001226421880 1135694508 /nfs/dbraw/zinc/69/45/08/1135694508.db2.gz GCOIMOPXCKESKL-OAHLLOKOSA-N 0 1 290.366 3.753 20 0 CHADMN CCCC(=O)[C@@H](CCC)Oc1nc2ccc(F)cc2[nH]1 ZINC001226700617 1135730240 /nfs/dbraw/zinc/73/02/40/1135730240.db2.gz CAYLCOOMHMUQPC-CQSZACIVSA-N 0 1 278.327 3.619 20 0 CHADMN C[C@H](COc1ccccc1)Oc1nc2ccc(F)cc2[nH]1 ZINC001226701675 1135731340 /nfs/dbraw/zinc/73/13/40/1135731340.db2.gz UGUUCDPTCHSVGN-LLVKDONJSA-N 0 1 286.306 3.548 20 0 CHADMN COc1ccc2cccc(OC3CN(C(C)(C)C)C3)c2c1 ZINC001226872479 1135753103 /nfs/dbraw/zinc/75/31/03/1135753103.db2.gz DVOMXQIGTKDUJA-UHFFFAOYSA-N 0 1 285.387 3.710 20 0 CHADMN Clc1ccnc2c1CC[C@H]2Oc1ccc2nc[nH]c2c1 ZINC001226928173 1135761476 /nfs/dbraw/zinc/76/14/76/1135761476.db2.gz IGWDBAORXVTYBJ-CQSZACIVSA-N 0 1 285.734 3.678 20 0 CHADMN Cc1cccc(O)c1O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001227138110 1135790436 /nfs/dbraw/zinc/79/04/36/1135790436.db2.gz WDJIXNRUBQKVII-QGZVFWFLSA-N 0 1 297.398 3.744 20 0 CHADMN Cc1cccc2nc(OC[C@H](C)Oc3ccccc3)[nH]c21 ZINC001227267307 1135812507 /nfs/dbraw/zinc/81/25/07/1135812507.db2.gz BECUAQYYXTWXNF-ZDUSSCGKSA-N 0 1 282.343 3.718 20 0 CHADMN COC(C)(C)C[C@H](C)Oc1nc2ccc(Cl)cc2[nH]1 ZINC001227266781 1135812648 /nfs/dbraw/zinc/81/26/48/1135812648.db2.gz PGNXFMFVQBJNHB-VIFPVBQESA-N 0 1 282.771 3.799 20 0 CHADMN Cc1ccc([C@@H](C)Oc2nc3cccc(C)c3[nH]2)cn1 ZINC001227267363 1135812944 /nfs/dbraw/zinc/81/29/44/1135812944.db2.gz CCOTWHFVUGXQSF-GFCCVEGCSA-N 0 1 267.332 3.715 20 0 CHADMN CC1(C)CC[C@@H](COc2nc3ccc(Cl)cc3[nH]2)O1 ZINC001227262644 1135813129 /nfs/dbraw/zinc/81/31/29/1135813129.db2.gz UMHBKTXWAPVZOP-JTQLQIEISA-N 0 1 280.755 3.553 20 0 CHADMN Cc1cccc2nc(O[C@H](C)c3cccnc3F)[nH]c21 ZINC001227268963 1135813967 /nfs/dbraw/zinc/81/39/67/1135813967.db2.gz YCNNJFRWGSDVBE-SNVBAGLBSA-N 0 1 271.295 3.545 20 0 CHADMN CC[C@@H](C)c1noc(CCc2nc3cccc(C)c3[nH]2)n1 ZINC000355888091 529436017 /nfs/dbraw/zinc/43/60/17/529436017.db2.gz KFXHWYCQNJWCGB-SNVBAGLBSA-N 0 1 284.363 3.553 20 0 CHADMN CC[C@@H](C)c1cc(C(=O)Nc2nc3ccc(C)cc3[nH]2)on1 ZINC000344484446 529429968 /nfs/dbraw/zinc/42/99/68/529429968.db2.gz NYWNBYYMVCTYAG-SNVBAGLBSA-N 0 1 298.346 3.625 20 0 CHADMN CC[C@H](Nc1ccnc(C)c1Cl)c1c(C)noc1C ZINC000355098147 529455280 /nfs/dbraw/zinc/45/52/80/529455280.db2.gz SNGNJXVLLBRURC-NSHDSACASA-N 0 1 279.771 3.633 20 0 CHADMN CC[C@H](NCc1ccc(OC)c(F)c1)c1ccc(F)cn1 ZINC000352719518 529628021 /nfs/dbraw/zinc/62/80/21/529628021.db2.gz HLMWZAXAOODROW-AWEZNQCLSA-N 0 1 292.329 3.609 20 0 CHADMN CCc1ccc(CN2CCS[C@@H]3CCCC[C@H]32)cn1 ZINC000347878948 529642451 /nfs/dbraw/zinc/64/24/51/529642451.db2.gz MJOCIUFUEQGIQO-HZPDHXFCSA-N 0 1 276.449 3.504 20 0 CHADMN CCc1ccc(CN2CCc3ccccc3[C@@H]2C)cn1 ZINC000347799728 529643951 /nfs/dbraw/zinc/64/39/51/529643951.db2.gz BHJONOAQWIPWHX-AWEZNQCLSA-N 0 1 266.388 3.763 20 0 CHADMN CCc1cnc(CN(C)[C@@H]2CCC(C)(C)C2)s1 ZINC000344635687 529645821 /nfs/dbraw/zinc/64/58/21/529645821.db2.gz SLTBEHRILTZUAK-LLVKDONJSA-N 0 1 252.427 3.716 20 0 CHADMN CCc1ccc(CNCc2cccc(OCC(C)C)c2)cn1 ZINC000352764118 529653429 /nfs/dbraw/zinc/65/34/29/529653429.db2.gz BHPGJUUGMXVUBQ-UHFFFAOYSA-N 0 1 298.430 3.969 20 0 CHADMN CCc1ccc(CN(C)Cc2cccc(C)n2)cc1 ZINC000353745591 529635918 /nfs/dbraw/zinc/63/59/18/529635918.db2.gz JUNHLQPITAEKRR-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN CCc1ccc(CN(Cc2ccco2)C(C)C)cn1 ZINC000347650381 529637917 /nfs/dbraw/zinc/63/79/17/529637917.db2.gz KDLPZRSCTIRUIP-UHFFFAOYSA-N 0 1 258.365 3.648 20 0 CHADMN CCc1ccc(CN[C@H]2CCOc3c(C)cccc32)cn1 ZINC000352702682 529658291 /nfs/dbraw/zinc/65/82/91/529658291.db2.gz AOKYFRJEEZLGKU-KRWDZBQOSA-N 0 1 282.387 3.566 20 0 CHADMN COC1(CNCc2cc(Cl)sc2Cl)CCC1 ZINC000312621457 260183656 /nfs/dbraw/zinc/18/36/56/260183656.db2.gz JVLNBNLYIUWWRC-UHFFFAOYSA-N 0 1 280.220 3.714 20 0 CHADMN CCc1nc(CN2CCC(C)(C3CC3)CC2)cs1 ZINC000352186706 529735996 /nfs/dbraw/zinc/73/59/96/529735996.db2.gz BCZFGHHONMEUMD-UHFFFAOYSA-N 0 1 264.438 3.718 20 0 CHADMN CCc1nc(CN2CCC(CC)(CC)C2)cs1 ZINC000353613102 529736012 /nfs/dbraw/zinc/73/60/12/529736012.db2.gz MDOTXICRLCEYDC-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN C[C@@H](Sc1nc(C2CC2)n[nH]1)c1c(F)cccc1F ZINC000128122514 187353098 /nfs/dbraw/zinc/35/30/98/187353098.db2.gz YRWRPXANTYSNBT-SSDOTTSWSA-N 0 1 281.331 3.814 20 0 CHADMN C[C@@H](Sc1n[nH]c(C2CC2)n1)c1c(F)cccc1F ZINC000128122514 187353100 /nfs/dbraw/zinc/35/31/00/187353100.db2.gz YRWRPXANTYSNBT-SSDOTTSWSA-N 0 1 281.331 3.814 20 0 CHADMN CN(Cc1ccc(Cl)cc1)Cc1cc(O)cc(F)c1 ZINC000352002728 529985225 /nfs/dbraw/zinc/98/52/25/529985225.db2.gz MZSQCTKTXFIMAK-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN CCn1ccnc1CN(CCC(C)C)CCC(C)C ZINC000409445959 260407735 /nfs/dbraw/zinc/40/77/35/260407735.db2.gz WZTGMWGDNZJQQX-UHFFFAOYSA-N 0 1 265.445 3.797 20 0 CHADMN C[C@@H](N[C@@H](C)CCc1cccc(F)c1)C(C)(F)F ZINC000449412710 260537247 /nfs/dbraw/zinc/53/72/47/260537247.db2.gz GHUAUIBQJHHCGC-WDEREUQCSA-N 0 1 259.315 3.780 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cnn3ccccc23)C1 ZINC000574239906 335003546 /nfs/dbraw/zinc/00/35/46/335003546.db2.gz HEDTXEFPHOUUEW-DNVCBOLYSA-N 0 1 291.398 3.917 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000574279572 335006590 /nfs/dbraw/zinc/00/65/90/335006590.db2.gz LSEPSTKLXWTIJO-PXAZEXFGSA-N 0 1 297.402 3.675 20 0 CHADMN CCN(CC)Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000156911051 261135467 /nfs/dbraw/zinc/13/54/67/261135467.db2.gz YOTIXLLMGVXWJF-UHFFFAOYSA-N 0 1 280.803 3.507 20 0 CHADMN CCC1(CC)CCN(Cc2ccc(Cl)cn2)C1 ZINC000583399721 327343881 /nfs/dbraw/zinc/34/38/81/327343881.db2.gz VNTTVHACGQSLCN-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN CCS[C@H](C)c1noc(CN(CC(C)C)C(C)C)n1 ZINC000178335244 261385783 /nfs/dbraw/zinc/38/57/83/261385783.db2.gz FDHRPDCVCVZMOG-GFCCVEGCSA-N 0 1 285.457 3.750 20 0 CHADMN C[C@@H]1CN(Cc2cnc(-c3ccco3)s2)C[C@H](C)S1 ZINC000574622495 335033644 /nfs/dbraw/zinc/03/36/44/335033644.db2.gz PPDQMRIXOWYNPO-PHIMTYICSA-N 0 1 294.445 3.729 20 0 CHADMN Cc1nc2c(n1Cc1ccc(C(C)C)nc1C)CCCC2 ZINC000574652397 335037593 /nfs/dbraw/zinc/03/75/93/335037593.db2.gz OFEWTEJVYCCXMI-UHFFFAOYSA-N 0 1 283.419 3.945 20 0 CHADMN CSc1ccc(F)cc1CN[C@H](C)c1ccncc1 ZINC000350478927 532973388 /nfs/dbraw/zinc/97/33/88/532973388.db2.gz OCTMXDBPKJGMPT-LLVKDONJSA-N 0 1 276.380 3.793 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)NCc2csc(C)c2)c1 ZINC000336838050 335047755 /nfs/dbraw/zinc/04/77/55/335047755.db2.gz MQJHUCSTGLYCCD-GFCCVEGCSA-N 0 1 288.416 3.866 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cccc(C)n2)cc1 ZINC000347363640 533100915 /nfs/dbraw/zinc/10/09/15/533100915.db2.gz NBNHZRHHTRZJJC-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN CO[C@H](C)c1nc(CN[C@H](C)CCC(C)C)cs1 ZINC000344781159 533125196 /nfs/dbraw/zinc/12/51/96/533125196.db2.gz ZYDBQIUANMDART-VXGBXAGGSA-N 0 1 270.442 3.765 20 0 CHADMN CC[C@@H]1C[N@H+](Cc2ncccc2[O-])CC[C@H]1c1ccccc1 ZINC000575026796 335056765 /nfs/dbraw/zinc/05/67/65/335056765.db2.gz AICVVDFPBWAWIH-NVXWUHKLSA-N 0 1 296.414 3.803 20 0 CHADMN CC[C@@H]1C[N@@H+](Cc2ncccc2[O-])CC[C@H]1c1ccccc1 ZINC000575026796 335056767 /nfs/dbraw/zinc/05/67/67/335056767.db2.gz AICVVDFPBWAWIH-NVXWUHKLSA-N 0 1 296.414 3.803 20 0 CHADMN CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103044 260035347 /nfs/dbraw/zinc/03/53/47/260035347.db2.gz YZBGMORRMMIQIQ-QGZVFWFLSA-N 0 1 287.378 3.599 20 0 CHADMN CC[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1F ZINC000036103044 260035349 /nfs/dbraw/zinc/03/53/49/260035349.db2.gz YZBGMORRMMIQIQ-QGZVFWFLSA-N 0 1 287.378 3.599 20 0 CHADMN C[C@@H]1C[C@H]1CN(Cc1c(F)cccc1F)C1CC1 ZINC000488528283 262330531 /nfs/dbraw/zinc/33/05/31/262330531.db2.gz AAGXASPWMTZNGQ-MNOVXSKESA-N 0 1 251.320 3.585 20 0 CHADMN CCC[C@H](C(=O)NCc1nc2ccc(C)cc2[nH]1)C(C)C ZINC000179425875 260048216 /nfs/dbraw/zinc/04/82/16/260048216.db2.gz RCXXLVUWEHQVAD-ZDUSSCGKSA-N 0 1 287.407 3.560 20 0 CHADMN CCc1nn(C)c(CC)c1CN(CC)Cc1cccs1 ZINC000179721431 260065003 /nfs/dbraw/zinc/06/50/03/260065003.db2.gz ONJPSEKIOLQMDI-UHFFFAOYSA-N 0 1 291.464 3.629 20 0 CHADMN COc1ccc(C)cc1CN1CCCc2occc2C1 ZINC000344229612 533386503 /nfs/dbraw/zinc/38/65/03/533386503.db2.gz DEVQTBMYUPXRPC-UHFFFAOYSA-N 0 1 271.360 3.545 20 0 CHADMN Cc1cc(CN2CCC(C)(CC(C)C)CC2)no1 ZINC000344007552 533594384 /nfs/dbraw/zinc/59/43/84/533594384.db2.gz HUWGUGIKXWPOEN-UHFFFAOYSA-N 0 1 250.386 3.631 20 0 CHADMN C[C@@H](N[C@H](c1nccn1C)C1CC1)c1cccc(Cl)c1 ZINC000353872501 533538688 /nfs/dbraw/zinc/53/86/88/533538688.db2.gz VVXYDXYFJHTAMV-ABAIWWIYSA-N 0 1 289.810 3.875 20 0 CHADMN Cc1nccc(N[C@@H]2CSc3ccccc32)c1Cl ZINC000353154597 533639983 /nfs/dbraw/zinc/63/99/83/533639983.db2.gz SWAGBVFSYBEWPV-GFCCVEGCSA-N 0 1 276.792 3.724 20 0 CHADMN Cc1ccc([C@H](N[C@@H](C)c2nccn2C)C2CC2)cc1 ZINC000341760481 130026682 /nfs/dbraw/zinc/02/66/82/130026682.db2.gz ZJVJVRQHBUNSMT-BBRMVZONSA-N 0 1 269.392 3.530 20 0 CHADMN FC(F)(F)c1cccc(C2(NCc3cccnc3)CC2)c1 ZINC000341857782 130075866 /nfs/dbraw/zinc/07/58/66/130075866.db2.gz JKMVNZGZNCZIIH-UHFFFAOYSA-N 0 1 292.304 3.879 20 0 CHADMN C[C@@H]1CN(CCCCCF)C[C@H](c2ccccc2)O1 ZINC000341847186 130090608 /nfs/dbraw/zinc/09/06/08/130090608.db2.gz LNSYFSMLYRSKQA-GDBMZVCRSA-N 0 1 265.372 3.588 20 0 CHADMN Cc1ccncc1CNC1(c2ccc(Cl)cc2)CC1 ZINC000341870961 130098584 /nfs/dbraw/zinc/09/85/84/130098584.db2.gz BZUNJQFRAMCYBS-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C2(c3ccccc3)CCC2)n1 ZINC000342022278 130205340 /nfs/dbraw/zinc/20/53/40/130205340.db2.gz JXOARGSICLNLOM-CQSZACIVSA-N 0 1 285.391 3.586 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000342022923 130205555 /nfs/dbraw/zinc/20/55/55/130205555.db2.gz QJSSXZADKKTYAC-HUUCEWRRSA-N 0 1 283.774 3.623 20 0 CHADMN Fc1c(Cl)cccc1CN1CCC2(CCOCC2)CC1 ZINC000341988587 130211866 /nfs/dbraw/zinc/21/18/66/130211866.db2.gz IZOGIPGCPFYFJW-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN CC(C)C[C@H](N)c1noc(Cc2ccc3c(c2)CCCC3)n1 ZINC000342032031 130248690 /nfs/dbraw/zinc/24/86/90/130248690.db2.gz XRTQRQSDIOFATO-INIZCTEOSA-N 0 1 299.418 3.585 20 0 CHADMN Fc1cc(-c2ccncc2)ccc1CN[C@H]1C[C@@H]1C(F)F ZINC000342185294 130320700 /nfs/dbraw/zinc/32/07/00/130320700.db2.gz CLEMKFKMGCNVPI-ZFWWWQNUSA-N 0 1 292.304 3.631 20 0 CHADMN CCN(Cc1ccn(-c2ccc(Cl)cc2)n1)C(C)C ZINC000342221086 130394777 /nfs/dbraw/zinc/39/47/77/130394777.db2.gz ATIINDMXLVACOS-UHFFFAOYSA-N 0 1 277.799 3.756 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)N[C@@H](C)c1ccncc1 ZINC000020121477 171000234 /nfs/dbraw/zinc/00/02/34/171000234.db2.gz AUAASSGNXGEKAW-UONOGXRCSA-N 0 1 270.376 3.810 20 0 CHADMN C[C@H](NCc1cccc(Br)c1)c1ccccn1 ZINC000020123198 171004035 /nfs/dbraw/zinc/00/40/35/171004035.db2.gz QPONBCWFWHCVMH-NSHDSACASA-N 0 1 291.192 3.695 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccccn2)cc1F ZINC000020123777 171005166 /nfs/dbraw/zinc/00/51/66/171005166.db2.gz GJUPDRDIXFXZPH-NWDGAFQWSA-N 0 1 274.339 3.641 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCC2)c1ccccn1 ZINC000020123934 171005448 /nfs/dbraw/zinc/00/54/48/171005448.db2.gz ROHCLXFSWMZTJR-UONOGXRCSA-N 0 1 266.388 3.982 20 0 CHADMN C[C@H](NCc1cccc(O)c1)c1ccccc1Cl ZINC000020124109 171005865 /nfs/dbraw/zinc/00/58/65/171005865.db2.gz OBEOVTYJOLVSPP-NSHDSACASA-N 0 1 261.752 3.896 20 0 CHADMN C[C@H](NCc1cnn(-c2ccccc2)c1)c1cccs1 ZINC000020148214 171036049 /nfs/dbraw/zinc/03/60/49/171036049.db2.gz CDPSTSPXMCLMHD-ZDUSSCGKSA-N 0 1 283.400 3.785 20 0 CHADMN C[C@@H](N[C@H]1CCCc2occc21)c1ccc2c(c1)OCO2 ZINC000020204454 171069119 /nfs/dbraw/zinc/06/91/19/171069119.db2.gz KHCQCULLNZSAOF-RISCZKNCSA-N 0 1 285.343 3.737 20 0 CHADMN C[C@H](N[C@H](c1ccco1)c1ccccc1)[C@@H]1CCCO1 ZINC000020207449 171072483 /nfs/dbraw/zinc/07/24/83/171072483.db2.gz BVPBSTIQSBFLOH-QRTARXTBSA-N 0 1 271.360 3.526 20 0 CHADMN Fc1ccccc1CNCc1ccc2ncccc2c1 ZINC000020248233 171100869 /nfs/dbraw/zinc/10/08/69/171100869.db2.gz CJHZAZIOXLYHAM-UHFFFAOYSA-N 0 1 266.319 3.664 20 0 CHADMN CCN(Cc1ccccc1)C(=O)c1ccc(O)c(Cl)c1 ZINC000020298634 171138346 /nfs/dbraw/zinc/13/83/46/171138346.db2.gz VAQYSZCRNJJBGJ-UHFFFAOYSA-N 0 1 289.762 3.708 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc3c(c2)OCCO3)c(C)o1 ZINC000020438590 171203512 /nfs/dbraw/zinc/20/35/12/171203512.db2.gz BRQHMNVDDDGECB-LBPRGKRZSA-N 0 1 287.359 3.518 20 0 CHADMN Fc1cccc(CNCc2ccc3ccccc3n2)c1 ZINC000020473569 171217300 /nfs/dbraw/zinc/21/73/00/171217300.db2.gz UPMYNKLHTHEMPG-UHFFFAOYSA-N 0 1 266.319 3.664 20 0 CHADMN Clc1ccccc1CSc1nc(C2CC2)n[nH]1 ZINC000022328431 171384958 /nfs/dbraw/zinc/38/49/58/171384958.db2.gz OSQSPIIBHTXFML-UHFFFAOYSA-N 0 1 265.769 3.628 20 0 CHADMN Clc1ccccc1CSc1n[nH]c(C2CC2)n1 ZINC000022328431 171384960 /nfs/dbraw/zinc/38/49/60/171384960.db2.gz OSQSPIIBHTXFML-UHFFFAOYSA-N 0 1 265.769 3.628 20 0 CHADMN CCc1nnc(SCc2ccccc2C(F)(F)F)[nH]1 ZINC000022542993 171390685 /nfs/dbraw/zinc/39/06/85/171390685.db2.gz SIQHZAVOHDQONA-UHFFFAOYSA-N 0 1 287.310 3.678 20 0 CHADMN CCc1n[nH]c(SCc2ccccc2C(F)(F)F)n1 ZINC000022542993 171390686 /nfs/dbraw/zinc/39/06/86/171390686.db2.gz SIQHZAVOHDQONA-UHFFFAOYSA-N 0 1 287.310 3.678 20 0 CHADMN COc1cccc2cc(CN[C@H](C)c3ccncc3)oc21 ZINC000035009917 171927088 /nfs/dbraw/zinc/92/70/88/171927088.db2.gz DXWCZHPYVGIJDR-GFCCVEGCSA-N 0 1 282.343 3.687 20 0 CHADMN COc1ccc(C)cc1CN[C@H](C)c1ccc(F)cc1 ZINC000035161967 172022369 /nfs/dbraw/zinc/02/23/69/172022369.db2.gz DFOLOZMKFCWCGD-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN COc1ccc(Cl)cc1CN[C@@H](C)c1cccnc1 ZINC000035180233 172033208 /nfs/dbraw/zinc/03/32/08/172033208.db2.gz GQGYEBICOPLINZ-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN Cc1nc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)cs1 ZINC000035258200 172089368 /nfs/dbraw/zinc/08/93/68/172089368.db2.gz LJLFNHIBWNZDGU-WDEREUQCSA-N 0 1 278.343 3.662 20 0 CHADMN Fc1ccc(F)c(CN[C@H]2CCc3ccccc32)c1 ZINC000037233172 173052124 /nfs/dbraw/zinc/05/21/24/173052124.db2.gz YLQNGUBNXHLMTB-INIZCTEOSA-N 0 1 259.299 3.742 20 0 CHADMN CCCCc1ccc(NC(=O)[C@H](N)Cc2ccccc2)cc1 ZINC000040173903 174200429 /nfs/dbraw/zinc/20/04/29/174200429.db2.gz DKZSVQSPSXJGRW-GOSISDBHSA-N 0 1 296.414 3.538 20 0 CHADMN CC(C)(C)C(C)(C)c1nc(-c2ccn3cncc3c2)no1 ZINC000575143169 335072313 /nfs/dbraw/zinc/07/23/13/335072313.db2.gz BQAMNPNCQJELQK-UHFFFAOYSA-N 0 1 284.363 3.708 20 0 CHADMN c1coc(-c2cc(C[N@@H+](C3CC3)C3CCCC3)no2)c1 ZINC000171617456 335072689 /nfs/dbraw/zinc/07/26/89/335072689.db2.gz CMMIEJQVVKVPTQ-UHFFFAOYSA-N 0 1 272.348 3.842 20 0 CHADMN CC(=O)c1ccccc1OCC[N@@H+](C1CC1)C1CCCC1 ZINC000171617633 335072767 /nfs/dbraw/zinc/07/27/67/335072767.db2.gz YLRJSPVXGDBPEO-UHFFFAOYSA-N 0 1 287.403 3.675 20 0 CHADMN CN1CCN(Cc2ccccc2Cl)Cc2ccccc21 ZINC000078459129 177343313 /nfs/dbraw/zinc/34/33/13/177343313.db2.gz AIPXILXJHIALOU-UHFFFAOYSA-N 0 1 286.806 3.792 20 0 CHADMN CC[C@@H](O)[C@H]1CCCCN1Cc1c(F)cccc1Cl ZINC000078724652 177376661 /nfs/dbraw/zinc/37/66/61/177376661.db2.gz DCBSTLMYLIACIN-HUUCEWRRSA-N 0 1 285.790 3.605 20 0 CHADMN COC(=O)c1occc1CN1CCC[C@H](C(C)(C)C)CC1 ZINC000078759243 177383376 /nfs/dbraw/zinc/38/33/76/177383376.db2.gz YGXBJFQDHHIHNI-AWEZNQCLSA-N 0 1 293.407 3.714 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cccc4c3CCC4)[nH]c2c1 ZINC000344475459 225070543 /nfs/dbraw/zinc/07/05/43/225070543.db2.gz BZRMHVORXPXQEP-UHFFFAOYSA-N 0 1 291.354 3.612 20 0 CHADMN C[C@H](N)c1nc(Cc2ccc(Br)cc2)cs1 ZINC000334603105 225080505 /nfs/dbraw/zinc/08/05/05/225080505.db2.gz PCTVOAXMWFLLPD-QMMMGPOBSA-N 0 1 297.221 3.516 20 0 CHADMN Clc1ccc(CN[C@@H]2CCO[C@H]2c2ccccc2)o1 ZINC000344601907 225115533 /nfs/dbraw/zinc/11/55/33/225115533.db2.gz KTSOJOHZFDPMLT-HIFRSBDPSA-N 0 1 277.751 3.553 20 0 CHADMN Cc1ccc(-c2nc(CN[C@@H](C)Cc3ccoc3)co2)cc1 ZINC000344909136 225200301 /nfs/dbraw/zinc/20/03/01/225200301.db2.gz ZMOWHYOHGFEGAT-AWEZNQCLSA-N 0 1 296.370 3.964 20 0 CHADMN Cc1ccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)cc1 ZINC000334685059 225247736 /nfs/dbraw/zinc/24/77/36/225247736.db2.gz WEXBFRSNFAYOCS-ZDUSSCGKSA-N 0 1 297.402 3.585 20 0 CHADMN Cc1cc(F)c(CN2CC[C@@](C)(C(N)=O)C2)c(Cl)c1 ZINC000334646732 225250552 /nfs/dbraw/zinc/25/05/52/225250552.db2.gz KGQQMUIXIHGOHB-CQSZACIVSA-N 0 1 284.762 3.535 20 0 CHADMN Fc1ccc(CN(CC[C@H]2CCCCO2)C2CC2)c(F)c1 ZINC000347404458 226147584 /nfs/dbraw/zinc/14/75/84/226147584.db2.gz WQYARMSYFTWXRY-MRXNPFEDSA-N 0 1 295.373 3.888 20 0 CHADMN C[C@H]1c2cc(F)cc(F)c2CCN1CC[C@H]1CCCCO1 ZINC000347467392 226164331 /nfs/dbraw/zinc/16/43/31/226164331.db2.gz QXUDUNOTAJMCEI-GXTWGEPZSA-N 0 1 295.373 3.843 20 0 CHADMN Cc1nnc(CN2CC[C@@H](C(C)(C)C)C[C@@H]2C)n1C1CC1 ZINC000347610039 226200108 /nfs/dbraw/zinc/20/01/08/226200108.db2.gz ZHAZUJSZARBFOY-GXTWGEPZSA-N 0 1 290.455 3.568 20 0 CHADMN Cc1ccnc(NCCc2c[nH]c3ccc(F)cc23)c1 ZINC000347732948 226232919 /nfs/dbraw/zinc/23/29/19/226232919.db2.gz FLHZPLDPUHXELD-UHFFFAOYSA-N 0 1 269.323 3.665 20 0 CHADMN c1cc2cc(CN3CCOCC34CCCC4)ccc2o1 ZINC000347861891 226386308 /nfs/dbraw/zinc/38/63/08/226386308.db2.gz LCUYMHAUBUXZMT-UHFFFAOYSA-N 0 1 271.360 3.578 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@H](O)CC(C)(C)C1 ZINC000336302751 226879252 /nfs/dbraw/zinc/87/92/52/226879252.db2.gz DDYUQFQHWHALLA-OLZOCXBDSA-N 0 1 294.439 3.516 20 0 CHADMN Cc1cc(CN(C)Cc2ccccn2)cc2cccnc12 ZINC000350386677 227010841 /nfs/dbraw/zinc/01/08/41/227010841.db2.gz CBTOLZHZIYIHEL-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(Cl)c1 ZINC000166608274 227032803 /nfs/dbraw/zinc/03/28/03/227032803.db2.gz DBDRSUAOPNOTEO-GOPGUHFVSA-N 0 1 287.790 3.649 20 0 CHADMN C[C@H]1CCC[C@H](CC(=O)Nc2ccc3nc[nH]c3c2)C1 ZINC000352631569 227130261 /nfs/dbraw/zinc/13/02/61/227130261.db2.gz XOQZSBNGZKFMNQ-RYUDHWBXSA-N 0 1 271.364 3.718 20 0 CHADMN CCCN(Cc1csc(-c2ccccn2)n1)C1CC1 ZINC000171884120 335083671 /nfs/dbraw/zinc/08/36/71/335083671.db2.gz MJQSDQZMTZRNEW-UHFFFAOYSA-N 0 1 273.405 3.580 20 0 CHADMN CC[C@H](C)CN(C)Cc1csc(-c2ccco2)n1 ZINC000171884310 335083853 /nfs/dbraw/zinc/08/38/53/335083853.db2.gz GYCKNFBDZBRXER-NSHDSACASA-N 0 1 264.394 3.881 20 0 CHADMN C[C@H](N[C@H]1COC(C)(C)C1)c1nc(C(C)(C)C)cs1 ZINC000417919909 227172505 /nfs/dbraw/zinc/17/25/05/227172505.db2.gz YNQGYUWIMLKLHK-WDEREUQCSA-N 0 1 282.453 3.659 20 0 CHADMN Cc1cccc(NCCSCc2ccccc2)n1 ZINC000354857484 227173109 /nfs/dbraw/zinc/17/31/09/227173109.db2.gz AOGWCPPLKKGUCN-UHFFFAOYSA-N 0 1 258.390 3.735 20 0 CHADMN C[C@H]1CC[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2)O1 ZINC000354889172 227207571 /nfs/dbraw/zinc/20/75/71/227207571.db2.gz IJEUUMFLZGSTHV-YJBOKZPZSA-N 0 1 285.387 3.849 20 0 CHADMN C[C@H]1CC[C@@H](CN(Cc2ccco2)Cc2ccccc2)O1 ZINC000354889172 227207574 /nfs/dbraw/zinc/20/75/74/227207574.db2.gz IJEUUMFLZGSTHV-YJBOKZPZSA-N 0 1 285.387 3.849 20 0 CHADMN C[C@H]1CSC[C@@H]1NCc1csc(-c2ccsc2)n1 ZINC000352796578 227232445 /nfs/dbraw/zinc/23/24/45/227232445.db2.gz GRJQCDMSHPNSGR-CABZTGNLSA-N 0 1 296.486 3.713 20 0 CHADMN CSCc1cnc(CN(C)C[C@H]2CC=CCC2)s1 ZINC000352859548 227343195 /nfs/dbraw/zinc/34/31/95/227343195.db2.gz SWRVHRGQJUBGQC-LBPRGKRZSA-N 0 1 282.478 3.794 20 0 CHADMN Cc1nccc(CSc2nc3ccc(Cl)cc3[nH]2)n1 ZINC000356043627 228097310 /nfs/dbraw/zinc/09/73/10/228097310.db2.gz VRUHYQUNZDLMKC-UHFFFAOYSA-N 0 1 290.779 3.607 20 0 CHADMN Oc1ccc(F)c(CNc2cc3c(cn2)CCCC3)c1F ZINC000353563910 228121837 /nfs/dbraw/zinc/12/18/37/228121837.db2.gz CHWNNQNGAPKNSO-UHFFFAOYSA-N 0 1 290.313 3.556 20 0 CHADMN CSCc1cnc(CN(C)[C@H](C)C2CCC2)s1 ZINC000353521008 228114066 /nfs/dbraw/zinc/11/40/66/228114066.db2.gz QTWAPIBMWORXGK-SNVBAGLBSA-N 0 1 270.467 3.627 20 0 CHADMN CCc1nnc(CN[C@@H](C)CCC2CCCCC2)s1 ZINC000353540973 228116634 /nfs/dbraw/zinc/11/66/34/228116634.db2.gz QRZYGJDKSMJJDN-LBPRGKRZSA-N 0 1 281.469 3.939 20 0 CHADMN C[C@H](NC[C@@H]1CCSC1)c1nc(C2CCCCC2)no1 ZINC000330178993 228057567 /nfs/dbraw/zinc/05/75/67/228057567.db2.gz MBGJFMKGGSLNMV-RYUDHWBXSA-N 0 1 295.452 3.521 20 0 CHADMN Cc1oc2ccccc2c1CNCc1ccc2cc[nH]c2n1 ZINC000353208307 228070011 /nfs/dbraw/zinc/07/00/11/228070011.db2.gz JKISYBQRNZIONF-UHFFFAOYSA-N 0 1 291.354 3.907 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)no1 ZINC000353252830 228074822 /nfs/dbraw/zinc/07/48/22/228074822.db2.gz KFLBGPQKAIPPGD-APNQJHFZSA-N 0 1 286.375 3.587 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CCCC(C)(C)C1 ZINC000353274700 228077978 /nfs/dbraw/zinc/07/79/78/228077978.db2.gz PXDXICAFIOEMJA-UHFFFAOYSA-N 0 1 289.398 3.817 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2nccc3ccccc32)cn1 ZINC000353387946 228093597 /nfs/dbraw/zinc/09/35/97/228093597.db2.gz OXFKSCWYGKJEKA-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN Cc1nnc([C@H](C)NCC[C@@H]2CCC[C@H](C)C2)s1 ZINC000353638415 228137122 /nfs/dbraw/zinc/13/71/22/228137122.db2.gz RHNXVVXGDZFXOM-GVXVVHGQSA-N 0 1 267.442 3.714 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](CC(F)(F)F)C(C)C)no1 ZINC000353648481 228139013 /nfs/dbraw/zinc/13/90/13/228139013.db2.gz ZGNINDJFKZQQHS-KOLCDFICSA-N 0 1 264.291 3.611 20 0 CHADMN Fc1ccc(CN2CCC[C@]3(CCCOC3)C2)cc1Cl ZINC000353745322 228149308 /nfs/dbraw/zinc/14/93/08/228149308.db2.gz IVHZRILVWJZUBN-INIZCTEOSA-N 0 1 297.801 3.872 20 0 CHADMN Cc1ccccc1-c1nc(CNCC2CCCCC2)no1 ZINC000332244008 228153473 /nfs/dbraw/zinc/15/34/73/228153473.db2.gz ALYRBVVKCDGRFW-UHFFFAOYSA-N 0 1 285.391 3.715 20 0 CHADMN CSCC[C@H](C)N(C)Cc1cn2cc(Cl)ccc2n1 ZINC000353821247 228156247 /nfs/dbraw/zinc/15/62/47/228156247.db2.gz JNMMQULWKRHMQS-NSHDSACASA-N 0 1 297.855 3.561 20 0 CHADMN C[C@H]1c2ccccc2CN1Cc1ccc2c[nH]nc2c1 ZINC000353851749 228159031 /nfs/dbraw/zinc/15/90/31/228159031.db2.gz AITTZTUXWUEFHT-LBPRGKRZSA-N 0 1 263.344 3.640 20 0 CHADMN COCc1cccc(CN2Cc3ccccc3[C@H]2C)c1 ZINC000353882854 228161989 /nfs/dbraw/zinc/16/19/89/228161989.db2.gz RJEBIKDLCJKWFW-CQSZACIVSA-N 0 1 267.372 3.910 20 0 CHADMN Cc1ncc(CN2CC[C@H](C)[C@H]2c2cccc(F)c2)cn1 ZINC000352002106 228173369 /nfs/dbraw/zinc/17/33/69/228173369.db2.gz FAPYIVMDCJMZAN-SJCJKPOMSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CC[C@H](C)F)[C@@H](C)CO1 ZINC000352023824 228175385 /nfs/dbraw/zinc/17/53/85/228175385.db2.gz AVBQHDKPKKTVAP-DZKIICNBSA-N 0 1 265.372 3.505 20 0 CHADMN Cc1ccc([C@H]2CCCC[N@H+]2Cc2cnc(C)nc2)cc1 ZINC000352044400 228176931 /nfs/dbraw/zinc/17/69/31/228176931.db2.gz HFOJHDFDSWEQLD-GOSISDBHSA-N 0 1 281.403 3.821 20 0 CHADMN Cc1ccc([C@H]2CCCCN2Cc2cnc(C)nc2)cc1 ZINC000352044400 228176932 /nfs/dbraw/zinc/17/69/32/228176932.db2.gz HFOJHDFDSWEQLD-GOSISDBHSA-N 0 1 281.403 3.821 20 0 CHADMN Cc1cc([C@H]2CCC[N@H+]2Cc2cc(C)c(O)c(C)c2)on1 ZINC000336039887 228181061 /nfs/dbraw/zinc/18/10/61/228181061.db2.gz PITPVUDOBGWBBX-OAHLLOKOSA-N 0 1 286.375 3.643 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2cc(C)c(O)c(C)c2)on1 ZINC000336039887 228181062 /nfs/dbraw/zinc/18/10/62/228181062.db2.gz PITPVUDOBGWBBX-OAHLLOKOSA-N 0 1 286.375 3.643 20 0 CHADMN Cc1cnc(CN2CCC[C@](C)(c3ccccc3)CC2)nc1 ZINC000352188378 228196049 /nfs/dbraw/zinc/19/60/49/228196049.db2.gz YISJAFBGBNGJEU-IBGZPJMESA-N 0 1 295.430 3.729 20 0 CHADMN C[C@@H](CCc1ccccc1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000519943702 260026374 /nfs/dbraw/zinc/02/63/74/260026374.db2.gz NWDIJQDSAQSZMC-LSDHHAIUSA-N 0 1 261.409 3.507 20 0 CHADMN CC[C@H](C)C[N@@H+](C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000179686419 260063965 /nfs/dbraw/zinc/06/39/65/260063965.db2.gz GCDUJJWSRWBCEZ-ZDUSSCGKSA-N 0 1 257.381 3.555 20 0 CHADMN Cc1c([C@@H](C)N[C@H](C)c2ccc(F)c(Cl)c2)cnn1C ZINC000037167405 260072241 /nfs/dbraw/zinc/07/22/41/260072241.db2.gz WOFZYYPPQDJFSG-NXEZZACHSA-N 0 1 295.789 3.933 20 0 CHADMN CCOc1cccc(CN2CCC(C(F)(F)F)CC2)c1 ZINC000179962499 260083412 /nfs/dbraw/zinc/08/34/12/260083412.db2.gz PHWPHXOMGIWLEE-UHFFFAOYSA-N 0 1 287.325 3.860 20 0 CHADMN CC[C@@H](C)[N@@H+](CCC12CC3CC(CC(C3)C1)C2)CC(=O)[O-] ZINC000037598918 260114882 /nfs/dbraw/zinc/11/48/82/260114882.db2.gz JZRBLZPWHJNRFF-ZZFFKQLHSA-N 0 1 293.451 3.778 20 0 CHADMN Cc1ccc([O-])c(C[NH2+][C@H]2CCCCC23CCCC3)n1 ZINC000312519250 260138789 /nfs/dbraw/zinc/13/87/89/260138789.db2.gz IBHARDZHNJJGGH-INIZCTEOSA-N 0 1 274.408 3.688 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1nccn1C)c1ccccc1 ZINC000070444425 260157719 /nfs/dbraw/zinc/15/77/19/260157719.db2.gz BTYGWDHJSFGCOM-DZGCQCFKSA-N 0 1 257.381 3.612 20 0 CHADMN COCc1ccc(CNCc2ccccc2Cl)cc1 ZINC000073651095 260165243 /nfs/dbraw/zinc/16/52/43/260165243.db2.gz FPMOYESGEGLVEQ-UHFFFAOYSA-N 0 1 275.779 3.776 20 0 CHADMN Cc1nn(C)c(Cl)c1CN[C@H]1CCCc2ccccc21 ZINC000075734465 260166219 /nfs/dbraw/zinc/16/62/19/260166219.db2.gz QKEHLEBESZMSCC-HNNXBMFYSA-N 0 1 289.810 3.549 20 0 CHADMN Clc1cc(CN[C@H]2CCO[C@@H]2C2CC2)c(Cl)s1 ZINC000312619169 260183869 /nfs/dbraw/zinc/18/38/69/260183869.db2.gz TZSKYYLMKRVHDX-GXSJLCMTSA-N 0 1 292.231 3.712 20 0 CHADMN CCc1ccc([C@@H](C)NCc2nc(C)cs2)s1 ZINC000041632136 260184637 /nfs/dbraw/zinc/18/46/37/260184637.db2.gz RNPOHAZLKRNMDB-SNVBAGLBSA-N 0 1 266.435 3.926 20 0 CHADMN Cc1ccoc1CNCc1ccc2nc(C)ccc2c1 ZINC000312771887 260199888 /nfs/dbraw/zinc/19/98/88/260199888.db2.gz ZOCJOOPSSPZMIC-UHFFFAOYSA-N 0 1 266.344 3.734 20 0 CHADMN C[C@@H](NCc1ccc2ccccc2n1)c1cccc(O)c1 ZINC000086317551 260207542 /nfs/dbraw/zinc/20/75/42/260207542.db2.gz LDZFEVAEPDRXLI-CYBMUJFWSA-N 0 1 278.355 3.791 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000300258975 260213613 /nfs/dbraw/zinc/21/36/13/260213613.db2.gz JCIXKCRUOGQVPW-GOEBONIOSA-N 0 1 269.429 3.636 20 0 CHADMN COc1ccc(Br)c(CN(C)C[C@@H]2C[C@H]2C)c1 ZINC000087798524 260227726 /nfs/dbraw/zinc/22/77/26/260227726.db2.gz JSAMZUFARKUCAV-MNOVXSKESA-N 0 1 298.224 3.546 20 0 CHADMN COc1cc(C)nc(CN[C@H]2CCCc3sccc32)c1 ZINC000214143347 260241118 /nfs/dbraw/zinc/24/11/18/260241118.db2.gz WIDRMEJUHYRINY-HNNXBMFYSA-N 0 1 288.416 3.627 20 0 CHADMN Clc1cccc(C2(NCc3cccnc3)CC2)c1 ZINC000077467886 260297366 /nfs/dbraw/zinc/29/73/66/260297366.db2.gz YLCAXRZUWPSQRG-UHFFFAOYSA-N 0 1 258.752 3.514 20 0 CHADMN C[C@@H](N[C@@H](C)Cc1coc2ccccc12)c1ccon1 ZINC000449240329 260304131 /nfs/dbraw/zinc/30/41/31/260304131.db2.gz YLMKKJBUCVWTKZ-NWDGAFQWSA-N 0 1 270.332 3.703 20 0 CHADMN CC[N@@H+](C[C@H](C)c1ccccc1)C1CCC(C(=O)[O-])CC1 ZINC000517965907 260328294 /nfs/dbraw/zinc/32/82/94/260328294.db2.gz RKSOKYGUGZNTEB-OOHWJJMZSA-N 0 1 289.419 3.755 20 0 CHADMN C[C@H]1C[C@@H](Nc2ccnc3cc(C(F)(F)F)ccc32)CO1 ZINC000518176055 260349106 /nfs/dbraw/zinc/34/91/06/260349106.db2.gz QMMSLFGWZRMUTJ-GXSJLCMTSA-N 0 1 296.292 3.843 20 0 CHADMN CCOc1cccc([C@H](C)[NH2+]Cc2ccc3nc[nH]c3c2)c1 ZINC000518280395 260368169 /nfs/dbraw/zinc/36/81/69/260368169.db2.gz JZOOPSFQXFWVEG-ZDUSSCGKSA-N 0 1 295.386 3.812 20 0 CHADMN CCCC(CCC)C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000518350793 260381452 /nfs/dbraw/zinc/38/14/52/260381452.db2.gz SCPCKEHCOQUBLA-OAHLLOKOSA-N 0 1 294.483 3.536 20 0 CHADMN C[C@@H](NCc1cncs1)c1ccc(OC(F)F)cc1 ZINC000133044999 260513937 /nfs/dbraw/zinc/51/39/37/260513937.db2.gz IKFZHVQHSWIJQC-SECBINFHSA-N 0 1 284.331 3.595 20 0 CHADMN CCCCc1noc(CN[C@@H](Cc2ccccc2)C2CC2)n1 ZINC000181555658 260590381 /nfs/dbraw/zinc/59/03/81/260590381.db2.gz QXEVTXWETMBCJN-INIZCTEOSA-N 0 1 299.418 3.523 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc(C)n2)c(C)c1 ZINC000051574104 260951744 /nfs/dbraw/zinc/95/17/44/260951744.db2.gz MFNCMVWKTDPUFU-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN CCn1c2ccccc2nc1[C@@H]1CCCN1CCCF ZINC000151688849 261054423 /nfs/dbraw/zinc/05/44/23/261054423.db2.gz RAMVITDFPRTLKS-HNNXBMFYSA-N 0 1 275.371 3.553 20 0 CHADMN CCN(Cc1nc(C(C)(C)C)no1)[C@@H]1CCCC[C@H]1C ZINC000444656904 261058704 /nfs/dbraw/zinc/05/87/04/261058704.db2.gz ARKOBLVUFBIECM-CHWSQXEVSA-N 0 1 279.428 3.768 20 0 CHADMN Cc1noc(C)c1C[C@@H](C)N[C@H](C)c1c(F)cccc1F ZINC000152150992 261059943 /nfs/dbraw/zinc/05/99/43/261059943.db2.gz VEUDDMLKLYJKDW-MWLCHTKSSA-N 0 1 294.345 3.851 20 0 CHADMN Cc1n[nH]cc1CN1CCC[C@@H]1c1ccccc1Cl ZINC000153409236 261077815 /nfs/dbraw/zinc/07/78/15/261077815.db2.gz HJVMYJWUYKAUCW-OAHLLOKOSA-N 0 1 275.783 3.709 20 0 CHADMN CSc1cc(C)ccc1CNCc1ccc(C)o1 ZINC000153509603 261079178 /nfs/dbraw/zinc/07/91/78/261079178.db2.gz DDSROGBNBUMVEN-UHFFFAOYSA-N 0 1 261.390 3.908 20 0 CHADMN CCOc1ccccc1[C@@H](CC)N[C@@H](C)c1cnn(C)c1 ZINC000153954470 261085719 /nfs/dbraw/zinc/08/57/19/261085719.db2.gz IYEIWMAEEXAIJF-XJKSGUPXSA-N 0 1 287.407 3.621 20 0 CHADMN Cc1ccccc1[C@@H](C)Sc1nc(C2CC2)n[nH]1 ZINC000154065157 261087427 /nfs/dbraw/zinc/08/74/27/261087427.db2.gz UTOQBABCMACWKT-SNVBAGLBSA-N 0 1 259.378 3.844 20 0 CHADMN Cc1ccccc1[C@@H](C)Sc1n[nH]c(C2CC2)n1 ZINC000154065157 261087428 /nfs/dbraw/zinc/08/74/28/261087428.db2.gz UTOQBABCMACWKT-SNVBAGLBSA-N 0 1 259.378 3.844 20 0 CHADMN CCCN(CCC)Cc1nnc(-c2ccccc2)s1 ZINC000155109498 261098307 /nfs/dbraw/zinc/09/83/07/261098307.db2.gz DHLSIDCCEQUBOH-UHFFFAOYSA-N 0 1 275.421 3.827 20 0 CHADMN COc1ccccc1[C@H](C)NCc1cccc(NC(C)=O)c1 ZINC000155452995 261102140 /nfs/dbraw/zinc/10/21/40/261102140.db2.gz FVDXSCCWCVOBFC-ZDUSSCGKSA-N 0 1 298.386 3.504 20 0 CHADMN C/C=C(/C)C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000155783594 261107406 /nfs/dbraw/zinc/10/74/06/261107406.db2.gz QZCIPYQKPYMJIL-HNFXJGKRSA-N 0 1 297.402 3.544 20 0 CHADMN CC[C@@H]1CCCN1Cc1ncc(C(C)(C)C)s1 ZINC000448333669 261117573 /nfs/dbraw/zinc/11/75/73/261117573.db2.gz CXNTZSKIICWDNU-LLVKDONJSA-N 0 1 252.427 3.815 20 0 CHADMN C[C@H]1CN(Cc2ncc(C(C)(C)C)s2)CC[C@@H]1C ZINC000448337058 261118557 /nfs/dbraw/zinc/11/85/57/261118557.db2.gz LGWYNEPYBHIFIW-RYUDHWBXSA-N 0 1 266.454 3.919 20 0 CHADMN Cc1cc(CN2CCO[C@H](C(C)(C)C)C2)cc2cccnc12 ZINC000448361155 261126480 /nfs/dbraw/zinc/12/64/80/261126480.db2.gz VZHHGLGBMCILLM-KRWDZBQOSA-N 0 1 298.430 3.790 20 0 CHADMN CCC[C@@]1(CO)CCCN1Cc1ncc(C(C)(C)C)s1 ZINC000448365054 261129108 /nfs/dbraw/zinc/12/91/08/261129108.db2.gz WKHYMOAOIUSZEG-INIZCTEOSA-N 0 1 296.480 3.568 20 0 CHADMN Cc1cc(CN[C@@H]2COc3c2ccc(C)c3C)cs1 ZINC000449058701 261138844 /nfs/dbraw/zinc/13/88/44/261138844.db2.gz LJEPCZCYIUMZBR-OAHLLOKOSA-N 0 1 273.401 3.897 20 0 CHADMN CC(C)[C@@H](NCc1ccncc1F)c1ccccc1 ZINC000449068294 261147125 /nfs/dbraw/zinc/14/71/25/261147125.db2.gz RQULDNJVXDYVQR-MRXNPFEDSA-N 0 1 258.340 3.708 20 0 CHADMN CCOCCO[C@H]1CCN([C@H](C)c2ccccc2Cl)C1 ZINC000157697560 261150669 /nfs/dbraw/zinc/15/06/69/261150669.db2.gz PTKCQMPDRLCJOF-KGLIPLIRSA-N 0 1 297.826 3.528 20 0 CHADMN CC[C@@H](C)C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000158280603 261162747 /nfs/dbraw/zinc/16/27/47/261162747.db2.gz GNRFXTQXTLLAIP-CYBMUJFWSA-N 0 1 274.408 3.643 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2sccc21)c1cncs1 ZINC000158301920 261163468 /nfs/dbraw/zinc/16/34/68/261163468.db2.gz BSXDRUJMCAKJBW-MWLCHTKSSA-N 0 1 264.419 3.933 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@@H](C)c1oc2ccccc2c1C ZINC000174024352 261176646 /nfs/dbraw/zinc/17/66/46/261176646.db2.gz HMDRPLYJUWRRIN-ZDUSSCGKSA-N 0 1 297.402 3.942 20 0 CHADMN CC[C@@H](C)CN1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000499244573 261196064 /nfs/dbraw/zinc/19/60/64/261196064.db2.gz BBJPHHODGOCYPH-DOMZBBRYSA-N 0 1 299.361 3.707 20 0 CHADMN CC[C@H](C)CN1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000499244578 261197759 /nfs/dbraw/zinc/19/77/59/261197759.db2.gz BBJPHHODGOCYPH-WFASDCNBSA-N 0 1 299.361 3.707 20 0 CHADMN Fc1cccc(-c2cnc(CN3CCC4(CC4)CC3)o2)c1 ZINC000368424394 261239944 /nfs/dbraw/zinc/23/99/44/261239944.db2.gz JQCOLOOPUPHFRH-UHFFFAOYSA-N 0 1 286.350 3.857 20 0 CHADMN COc1ccc(OC)c(CN(C)Cc2ccc(C)s2)c1 ZINC000102774039 261269545 /nfs/dbraw/zinc/26/95/45/261269545.db2.gz CFLMARHHUDFYHT-UHFFFAOYSA-N 0 1 291.416 3.706 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)CC3CCC3)c2C1 ZINC000162139852 261271023 /nfs/dbraw/zinc/27/10/23/261271023.db2.gz ZMVRSZHDKBYNTH-UHFFFAOYSA-N 0 1 286.419 3.787 20 0 CHADMN c1coc(CN(Cc2ccccc2)CC2=CCCOC2)c1 ZINC000162214271 261274036 /nfs/dbraw/zinc/27/40/36/261274036.db2.gz XCHOTPOJEMKCDR-UHFFFAOYSA-N 0 1 283.371 3.629 20 0 CHADMN C[C@H](NCCSc1ccccc1)c1cscn1 ZINC000162326361 261277937 /nfs/dbraw/zinc/27/79/37/261277937.db2.gz VRPSQCSBNSLZOC-NSHDSACASA-N 0 1 264.419 3.586 20 0 CHADMN CC[N@@H+](CCCCCOC)Cc1c(F)cccc1F ZINC000103227757 261277979 /nfs/dbraw/zinc/27/79/79/261277979.db2.gz IOOGUVSIXINKMT-UHFFFAOYSA-N 0 1 271.351 3.603 20 0 CHADMN CCN(CCCCCOC)Cc1c(F)cccc1F ZINC000103227757 261277981 /nfs/dbraw/zinc/27/79/81/261277981.db2.gz IOOGUVSIXINKMT-UHFFFAOYSA-N 0 1 271.351 3.603 20 0 CHADMN CCCO[C@H]1CCCN(Cc2nc(C)c(C)s2)CC1 ZINC000176364239 261279549 /nfs/dbraw/zinc/27/95/49/261279549.db2.gz SCLQRUQXGMJISZ-AWEZNQCLSA-N 0 1 282.453 3.541 20 0 CHADMN Cc1nccc(CN2CC[C@@H](C)[C@@H]2c2cccc(F)c2)n1 ZINC000368448624 261284461 /nfs/dbraw/zinc/28/44/61/261284461.db2.gz CNORMIKAUBNAFY-SJKOYZFVSA-N 0 1 285.366 3.507 20 0 CHADMN CCN(Cc1ccc(Cl)s1)CC1=CCCOC1 ZINC000162749441 261293051 /nfs/dbraw/zinc/29/30/51/261293051.db2.gz MTPZAAQTANVMPQ-UHFFFAOYSA-N 0 1 271.813 3.570 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1nc(CC(C)C)no1)C1CC1 ZINC000104966275 261304203 /nfs/dbraw/zinc/30/42/03/261304203.db2.gz UFHVXSYGNCDIKV-QWHCGFSZSA-N 0 1 279.428 3.667 20 0 CHADMN C[C@H](NCc1cccc(N(C)C)n1)c1cccc(Cl)c1 ZINC000163128322 261306305 /nfs/dbraw/zinc/30/63/05/261306305.db2.gz IGAJJFJRRLTXTE-LBPRGKRZSA-N 0 1 289.810 3.652 20 0 CHADMN CCCOCc1ccccc1CN[C@H](C)c1cncs1 ZINC000163652717 261324650 /nfs/dbraw/zinc/32/46/50/261324650.db2.gz PYIHYDJOKJLXLZ-CYBMUJFWSA-N 0 1 290.432 3.921 20 0 CHADMN CC[C@H](N[C@H](C)c1ccccc1OC)c1ccncc1 ZINC000163686140 261325211 /nfs/dbraw/zinc/32/52/11/261325211.db2.gz GFICBWZAVZEYQM-CJNGLKHVSA-N 0 1 270.376 3.892 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccccc1OC)c1ccncc1 ZINC000163686047 261325653 /nfs/dbraw/zinc/32/56/53/261325653.db2.gz GFICBWZAVZEYQM-XJKSGUPXSA-N 0 1 270.376 3.892 20 0 CHADMN CCn1c2cccc(F)c2nc1CN(C)[C@@H](C)C1(C)CC1 ZINC000177217204 261340210 /nfs/dbraw/zinc/34/02/10/261340210.db2.gz KJURRWMQUVUTEJ-LBPRGKRZSA-N 0 1 289.398 3.816 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN(C)[C@H](C)C1(C)CC1 ZINC000177213778 261340397 /nfs/dbraw/zinc/34/03/97/261340397.db2.gz GRQBAFMUMWTADQ-CQSZACIVSA-N 0 1 288.435 3.869 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN(C)[C@H](C)C1(C)CC1 ZINC000177241104 261342167 /nfs/dbraw/zinc/34/21/67/261342167.db2.gz YLFRTSVALXNYFS-CQSZACIVSA-N 0 1 289.419 3.908 20 0 CHADMN CC[C@H](C)CN1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000491133986 261344164 /nfs/dbraw/zinc/34/41/64/261344164.db2.gz UXYPZXAFKILZNL-BLLLJJGKSA-N 0 1 265.372 3.554 20 0 CHADMN Cc1cccc(NC[C@@H](C)COCc2ccccc2)n1 ZINC000302247051 261351546 /nfs/dbraw/zinc/35/15/46/261351546.db2.gz TZKQGPHXODUQDT-CQSZACIVSA-N 0 1 270.376 3.655 20 0 CHADMN CC(C)Cc1noc(CN2CC[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000177539859 261361055 /nfs/dbraw/zinc/36/10/55/261361055.db2.gz XVGOBGGINOJJEO-HOCLYGCPSA-N 0 1 299.418 3.646 20 0 CHADMN COc1cccc([C@@H](C)Sc2nc(C(C)(C)C)n[nH]2)c1 ZINC000178000279 261375702 /nfs/dbraw/zinc/37/57/02/261375702.db2.gz AJRCEVYYYXGCSF-SNVBAGLBSA-N 0 1 291.420 3.964 20 0 CHADMN Cc1ccncc1CNCc1csc(Br)c1 ZINC000167239903 261399096 /nfs/dbraw/zinc/39/90/96/261399096.db2.gz QTROYQHJPHJXTH-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN CCC1(CC)CCN(Cc2csc(C)n2)CC1 ZINC000362510413 261514368 /nfs/dbraw/zinc/51/43/68/261514368.db2.gz KZWRSEPRJFBGRO-UHFFFAOYSA-N 0 1 252.427 3.854 20 0 CHADMN COCc1cc(CN[C@H](C)c2cncc(C)c2)ccc1F ZINC000184362189 262018431 /nfs/dbraw/zinc/01/84/31/262018431.db2.gz FOWKJNDPONFEQY-CYBMUJFWSA-N 0 1 288.366 3.526 20 0 CHADMN C[C@@H](c1cnccn1)N(C)Cc1csc2ccccc12 ZINC000184442790 262020690 /nfs/dbraw/zinc/02/06/90/262020690.db2.gz KOVZDYYPLYKMPS-LBPRGKRZSA-N 0 1 283.400 3.884 20 0 CHADMN Cc1oc(C[N@H+](C)C[C@@H](C)C2CCCCC2)cc1C(=O)[O-] ZINC000516657084 262028705 /nfs/dbraw/zinc/02/87/05/262028705.db2.gz SXMZCDHWQMXJJX-GFCCVEGCSA-N 0 1 293.407 3.934 20 0 CHADMN O=C([O-])[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000518783077 262055250 /nfs/dbraw/zinc/05/52/50/262055250.db2.gz YENVLSMTYCAFIO-LSDHHAIUSA-N 0 1 287.384 3.711 20 0 CHADMN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2csc(C(C)C)n2)n[nH]1 ZINC000186423634 262092649 /nfs/dbraw/zinc/09/26/49/262092649.db2.gz WZQQEMULXOBAAE-PWSUYJOCSA-N 0 1 292.452 3.580 20 0 CHADMN OCC[C@@H](N[C@H]1CCCc2cc(F)ccc21)c1ccco1 ZINC000186517672 262096224 /nfs/dbraw/zinc/09/62/24/262096224.db2.gz KLHNZQFPWRNVMT-JKSUJKDBSA-N 0 1 289.350 3.509 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](CCO)c2ccco2)c(C)c1 ZINC000186544007 262098416 /nfs/dbraw/zinc/09/84/16/262098416.db2.gz BDQPVJWFQWJXFM-HOCLYGCPSA-N 0 1 273.376 3.671 20 0 CHADMN COc1ccc(CN2CCO[C@H](C(C)C)C2)c2ccccc12 ZINC000497197982 262101531 /nfs/dbraw/zinc/10/15/31/262101531.db2.gz HTPPWHPKRMDGAI-IBGZPJMESA-N 0 1 299.414 3.705 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1CCC(C)(CO)CC1 ZINC000186903043 262115890 /nfs/dbraw/zinc/11/58/90/262115890.db2.gz VGPIJDHLLIECPS-LLVKDONJSA-N 0 1 285.790 3.635 20 0 CHADMN CC(C)(C)CCNCc1ncc(-c2ccccc2)cn1 ZINC000188490605 262157431 /nfs/dbraw/zinc/15/74/31/262157431.db2.gz WYZVOYJYITYCJJ-UHFFFAOYSA-N 0 1 269.392 3.669 20 0 CHADMN Cc1nccc(NCCCOCC(C)C)c1Cl ZINC000310562303 262166656 /nfs/dbraw/zinc/16/66/56/262166656.db2.gz WERLCBUADUENTO-UHFFFAOYSA-N 0 1 256.777 3.518 20 0 CHADMN CCCCOCCN[C@H](C)c1c(F)cccc1Cl ZINC000310917116 262182205 /nfs/dbraw/zinc/18/22/05/262182205.db2.gz GNMOEPCMPDRBMN-LLVKDONJSA-N 0 1 273.779 3.946 20 0 CHADMN FC(F)Oc1ccccc1CNCc1ccccc1 ZINC000019899649 262205040 /nfs/dbraw/zinc/20/50/40/262205040.db2.gz BOUZIRGFQXXIFQ-UHFFFAOYSA-N 0 1 263.287 3.578 20 0 CHADMN C[C@H](NCc1cccc2cccnc21)c1cncs1 ZINC000120506429 262205306 /nfs/dbraw/zinc/20/53/06/262205306.db2.gz DNOLJVZSWJZBES-NSHDSACASA-N 0 1 269.373 3.542 20 0 CHADMN CC[C@H]1C[C@]1(NCc1cc(OC)ccn1)c1cccc(C)c1 ZINC000502566873 262222505 /nfs/dbraw/zinc/22/25/05/262222505.db2.gz SUGNZMDLAXYBOT-HNAYVOBHSA-N 0 1 296.414 3.814 20 0 CHADMN Oc1cc(F)cc(CN[C@@H]2CCSc3ccccc32)c1 ZINC000184138880 262271289 /nfs/dbraw/zinc/27/12/89/262271289.db2.gz XPTGCYMHLJVAPG-OAHLLOKOSA-N 0 1 289.375 3.858 20 0 CHADMN C[C@H](N[C@@H](C)c1cncc(F)c1)c1cccc(F)c1 ZINC000221689598 262290783 /nfs/dbraw/zinc/29/07/83/262290783.db2.gz LWWUIQVUEFBFQO-QWRGUYRKSA-N 0 1 262.303 3.772 20 0 CHADMN Cc1nc(CCN[C@H](C)c2c(F)cccc2F)cs1 ZINC000221816641 262300352 /nfs/dbraw/zinc/30/03/52/262300352.db2.gz OKPSPTCLDNKZQD-SECBINFHSA-N 0 1 282.359 3.623 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H](C)c1cccc(C)c1 ZINC000187062455 262377713 /nfs/dbraw/zinc/37/77/13/262377713.db2.gz OQOOYSCTQOOAJK-KBPBESRZSA-N 0 1 270.376 3.810 20 0 CHADMN CC[C@H](NCc1ccnc(C)c1)c1ccccc1F ZINC000391165259 262385007 /nfs/dbraw/zinc/38/50/07/262385007.db2.gz OTDGJWSFGUYVHQ-INIZCTEOSA-N 0 1 258.340 3.770 20 0 CHADMN CCOCc1ccccc1CN[C@H](C)c1cncs1 ZINC000122629916 262459489 /nfs/dbraw/zinc/45/94/89/262459489.db2.gz IYFIYRNRIDIAKY-GFCCVEGCSA-N 0 1 276.405 3.530 20 0 CHADMN CCn1nccc1CN[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000125075096 262587867 /nfs/dbraw/zinc/58/78/67/262587867.db2.gz UFGNBAHPNLZISR-NSHDSACASA-N 0 1 297.324 3.773 20 0 CHADMN COc1ccc(F)c(CNCc2ccc3ncccc3c2)c1 ZINC000339377595 262635015 /nfs/dbraw/zinc/63/50/15/262635015.db2.gz MWOHFGOLVYNIBN-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN Cc1cc(C)c([C@H](C)N[C@@H](C)c2ccn(C)n2)cc1C ZINC000414175388 262814407 /nfs/dbraw/zinc/81/44/07/262814407.db2.gz IEPIVNYFSQUUDF-GJZGRUSLSA-N 0 1 271.408 3.757 20 0 CHADMN Cc1ncc(CN[C@@H]2C[C@H](C(C)C)c3ccccc32)o1 ZINC000414177826 262814615 /nfs/dbraw/zinc/81/46/15/262814615.db2.gz JHRUWJDKPSYTBK-IAGOWNOFSA-N 0 1 270.376 3.957 20 0 CHADMN COCC[C@H](NCc1cc(C)cc(C)c1)c1ccco1 ZINC000272544804 263006186 /nfs/dbraw/zinc/00/61/86/263006186.db2.gz LNVWCEVQQLWYCC-INIZCTEOSA-N 0 1 273.376 3.764 20 0 CHADMN Cc1c2cc(C)ccc2[nH]c1-c1nc(C2(N)CCCC2)no1 ZINC000414618380 263011915 /nfs/dbraw/zinc/01/19/15/263011915.db2.gz MLAQFLBMOPPLNU-UHFFFAOYSA-N 0 1 296.374 3.563 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cccc3c2CCCC3)n1 ZINC000414620182 263013502 /nfs/dbraw/zinc/01/35/02/263013502.db2.gz KXAZGIPJEGSCRH-OAHLLOKOSA-N 0 1 285.391 3.661 20 0 CHADMN CCc1ccc2occ(-c3nc(C4(N)CCCC4)no3)c2c1 ZINC000414622195 263013711 /nfs/dbraw/zinc/01/37/11/263013711.db2.gz BLRCHFHBWJUBIH-UHFFFAOYSA-N 0 1 297.358 3.773 20 0 CHADMN CC(C)[C@H](CCc1ccccc1)c1nc(C2(N)CCC2)no1 ZINC000414623359 263014381 /nfs/dbraw/zinc/01/43/81/263014381.db2.gz DNMIMRLTVOFQFD-HNNXBMFYSA-N 0 1 299.418 3.780 20 0 CHADMN Cc1cccc2c1[C@@H](C)C[C@H]2Cc1nc(C2(N)CCC2)no1 ZINC000414625542 263015968 /nfs/dbraw/zinc/01/59/68/263015968.db2.gz ITIRRQNXSGEFBD-STQMWFEESA-N 0 1 297.402 3.549 20 0 CHADMN CC(C)Cc1ccc(/C=C/c2nc(C3(N)CCC3)no2)cc1 ZINC000414625446 263015994 /nfs/dbraw/zinc/01/59/94/263015994.db2.gz IGFSKBIBMLSEGB-CMDGGOBGSA-N 0 1 297.402 3.776 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C/C=C/c2ccccc2F)n1 ZINC000414626499 263016502 /nfs/dbraw/zinc/01/65/02/263016502.db2.gz YCIOFGQEGCJKEA-HZRUHFOJSA-N 0 1 289.354 3.511 20 0 CHADMN CC1(C)CCC[C@@H](Cc2nc(C3(N)CCCC3)no2)C1 ZINC000414627661 263016808 /nfs/dbraw/zinc/01/68/08/263016808.db2.gz ZMFPIBUZKDYLQA-LBPRGKRZSA-N 0 1 277.412 3.557 20 0 CHADMN C/C(=C/c1ccc(C)cc1)c1nc(C2(N)CCCC2)no1 ZINC000414628801 263017067 /nfs/dbraw/zinc/01/70/67/263017067.db2.gz PGYMTGNWKYROCI-QBFSEMIESA-N 0 1 283.375 3.667 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@]2(C)C[C@@H]2c2ccccc2)n1 ZINC000414633393 263018396 /nfs/dbraw/zinc/01/83/96/263018396.db2.gz ZFQQFTZONIIWMF-KEYYUXOJSA-N 0 1 285.391 3.561 20 0 CHADMN Cc1ccc(Cc2nc([C@H](N)CC(C)C)no2)c(Cl)c1 ZINC000414633134 263018445 /nfs/dbraw/zinc/01/84/45/263018445.db2.gz YQLILVLJTRZAEJ-CYBMUJFWSA-N 0 1 293.798 3.668 20 0 CHADMN CC1=C[C@H](C)CN(Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000430278825 263024496 /nfs/dbraw/zinc/02/44/96/263024496.db2.gz JXIVEJHGJMKSKI-LBPRGKRZSA-N 0 1 286.350 3.879 20 0 CHADMN Clc1ccc(/C=C/CN2CCO[C@H]3CCC[C@H]32)cc1 ZINC000430293057 263035115 /nfs/dbraw/zinc/03/51/15/263035115.db2.gz YOONPDMADDQGBG-VNHAASDWSA-N 0 1 277.795 3.607 20 0 CHADMN Cc1cc(Cl)nc(CN[C@@H]2CCc3cc(F)ccc32)c1 ZINC000282693996 263078144 /nfs/dbraw/zinc/07/81/44/263078144.db2.gz KNIMBYAGXXLFGX-OAHLLOKOSA-N 0 1 290.769 3.960 20 0 CHADMN CCc1ccc(C[N@H+](C)[C@H](CC)c2ccncc2)o1 ZINC000290637507 263118100 /nfs/dbraw/zinc/11/81/00/263118100.db2.gz YIIFUGOGYLDRNB-MRXNPFEDSA-N 0 1 258.365 3.820 20 0 CHADMN CCc1ccc(CN(C)[C@H](CC)c2ccncc2)o1 ZINC000290637507 263118101 /nfs/dbraw/zinc/11/81/01/263118101.db2.gz YIIFUGOGYLDRNB-MRXNPFEDSA-N 0 1 258.365 3.820 20 0 CHADMN CCN(CC(C)(C)C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000291129261 263120383 /nfs/dbraw/zinc/12/03/83/263120383.db2.gz DTQYOMMEFUCSFX-UHFFFAOYSA-N 0 1 285.391 3.585 20 0 CHADMN Cc1cnccc1C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000294614055 263164677 /nfs/dbraw/zinc/16/46/77/263164677.db2.gz WVBNHNQGFBGAKL-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1cnccc1CN(C)Cc1cccc(Cl)c1 ZINC000294614055 263164679 /nfs/dbraw/zinc/16/46/79/263164679.db2.gz WVBNHNQGFBGAKL-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1cccc(OCCCN[C@H]2C[C@@H](C)n3ccnc32)c1C ZINC000296579656 263193349 /nfs/dbraw/zinc/19/33/49/263193349.db2.gz VVSDFKKIZAWPRI-ZBFHGGJFSA-N 0 1 299.418 3.564 20 0 CHADMN CC[C@H](NCc1ncccc1OC)c1ccc(C)cc1 ZINC000453365526 263253303 /nfs/dbraw/zinc/25/33/03/263253303.db2.gz NRIGKUKXLHYFQC-HNNXBMFYSA-N 0 1 270.376 3.640 20 0 CHADMN Clc1ccccc1CNCc1cccc2c1CCCN2 ZINC000415043204 263257712 /nfs/dbraw/zinc/25/77/12/263257712.db2.gz VTPNVBCNQMJRMC-UHFFFAOYSA-N 0 1 286.806 3.988 20 0 CHADMN C[C@@H](c1noc(-c2ccccc2)n1)N1CC[C@H](C2CC2)C1 ZINC000341902732 263365105 /nfs/dbraw/zinc/36/51/05/263365105.db2.gz NESAPVSIOITOTG-WFASDCNBSA-N 0 1 283.375 3.530 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H](C)c2ccc(C(C)C)cc2)c1C ZINC000330797743 264040706 /nfs/dbraw/zinc/04/07/06/264040706.db2.gz GUONYMXBSRWASL-CYBMUJFWSA-N 0 1 285.391 3.641 20 0 CHADMN CCCCCC(=O)N1CCCC[C@@H]1c1n[nH]c(C(C)C)n1 ZINC000330885067 264062807 /nfs/dbraw/zinc/06/28/07/264062807.db2.gz QEXNOTPWYIPKBC-CYBMUJFWSA-N 0 1 292.427 3.562 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H]2COCc3ccccc32)s1 ZINC000225995139 264106017 /nfs/dbraw/zinc/10/60/17/264106017.db2.gz LIPMQUKVUSODOV-DOMZBBRYSA-N 0 1 273.401 3.979 20 0 CHADMN COc1cc(Cl)ccc1CN1CCCC[C@@H]1CC(N)=O ZINC000331101183 264123563 /nfs/dbraw/zinc/12/35/63/264123563.db2.gz BWKIFTRBAZVCRQ-CYBMUJFWSA-N 0 1 296.798 3.628 20 0 CHADMN CS[C@@H]1CC[C@@H]1N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000425360775 264143304 /nfs/dbraw/zinc/14/33/04/264143304.db2.gz SYIRGAUZLSJODQ-GARJFASQSA-N 0 1 284.494 3.985 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H]2CCCC(C)(C)C2)c1 ZINC000331228518 264151366 /nfs/dbraw/zinc/15/13/66/264151366.db2.gz FPNTZFRDQHPINH-CYBMUJFWSA-N 0 1 289.375 3.750 20 0 CHADMN CO[C@H]1C[C@H]2C[C@H](Nc3ccc4cnccc4c3)C[C@H]2C1 ZINC000425370164 264214520 /nfs/dbraw/zinc/21/45/20/264214520.db2.gz NNLBOMJSWQHGMB-JQKHNHIHSA-N 0 1 282.387 3.850 20 0 CHADMN CS[C@@H]1CC[C@@H]1Nc1ccc(Cl)c(CN(C)C)c1 ZINC000425383032 264218917 /nfs/dbraw/zinc/21/89/17/264218917.db2.gz PCBMAKSWONQZMD-UONOGXRCSA-N 0 1 284.856 3.708 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H](C)c1ccccc1N(C)C ZINC000188770344 264241823 /nfs/dbraw/zinc/24/18/23/264241823.db2.gz PSRQWKJVNRUULN-ZIAGYGMSSA-N 0 1 299.418 3.568 20 0 CHADMN FC(F)c1noc(CN2CCC[C@@H]2C2CCCCC2)n1 ZINC000425406619 264284651 /nfs/dbraw/zinc/28/46/51/264284651.db2.gz MXKIBKMGHQDLOQ-LLVKDONJSA-N 0 1 285.338 3.552 20 0 CHADMN C[C@H](NCc1cncs1)c1cccc(Br)c1 ZINC000054770567 264344140 /nfs/dbraw/zinc/34/41/40/264344140.db2.gz BABBXXJUSBTMLQ-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1ccc(C)cc1C ZINC000189571147 264305035 /nfs/dbraw/zinc/30/50/35/264305035.db2.gz YJXFXWMTXWSJJO-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN COc1cnccc1[C@H](C)NC/C=C/c1ccc(F)cc1 ZINC000189548256 264306957 /nfs/dbraw/zinc/30/69/57/264306957.db2.gz LQXRFBBFCXZQLM-OOPCZODUSA-N 0 1 286.350 3.593 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1coc2ccccc12 ZINC000189544627 264306985 /nfs/dbraw/zinc/30/69/85/264306985.db2.gz LXPPWKNZNCDILG-GFCCVEGCSA-N 0 1 282.343 3.687 20 0 CHADMN CO[C@@H](CN(C)[C@H](C)c1nc2ccccc2s1)C1CC1 ZINC000425428923 264309558 /nfs/dbraw/zinc/30/95/58/264309558.db2.gz XLUBSKVUVRNZPU-RISCZKNCSA-N 0 1 290.432 3.714 20 0 CHADMN Cc1ccccc1Cc1nnc(CN[C@@H]2CCCC[C@@H]2C)o1 ZINC000162444825 264322637 /nfs/dbraw/zinc/32/26/37/264322637.db2.gz SWCSADZEZUZZEG-GOEBONIOSA-N 0 1 299.418 3.637 20 0 CHADMN C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCCCC(=O)[O-] ZINC000181543089 264452361 /nfs/dbraw/zinc/45/23/61/264452361.db2.gz WJZFOVMYAWOYSR-GFCCVEGCSA-N 0 1 275.348 3.681 20 0 CHADMN CCn1cncc1CN(Cc1ccccc1)CC(C)(C)C ZINC000417760523 265017281 /nfs/dbraw/zinc/01/72/81/265017281.db2.gz GESJDXOYUKOVFH-UHFFFAOYSA-N 0 1 285.435 3.951 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H](c2nccn2C)C2CC2)c2ccccc21 ZINC000343987605 265050105 /nfs/dbraw/zinc/05/01/05/265050105.db2.gz OCFLRKBPHLCKQG-JLZZUVOBSA-N 0 1 281.403 3.709 20 0 CHADMN CC[C@H]1CCCN(Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000514541583 265178382 /nfs/dbraw/zinc/17/83/82/265178382.db2.gz ZFBGLIRYOKFADG-NSHDSACASA-N 0 1 281.783 3.691 20 0 CHADMN C[C@H](O)C[C@H]1CCCN1Cc1cccc(Cl)c1Cl ZINC000093483244 265181567 /nfs/dbraw/zinc/18/15/67/265181567.db2.gz NKAUFBBXTZTEEL-CMPLNLGQSA-N 0 1 288.218 3.729 20 0 CHADMN C[C@@H]1C[C@@H](C)N1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000335822479 265217204 /nfs/dbraw/zinc/21/72/04/265217204.db2.gz KCSXWQNCFNPDDH-HTQZYQBOSA-N 0 1 294.305 3.515 20 0 CHADMN CCO[C@H](C)c1nc(CN(CC2CC2)C(C)C)cs1 ZINC000519227810 265371013 /nfs/dbraw/zinc/37/10/13/265371013.db2.gz NLFSOSSTVKCVFA-GFCCVEGCSA-N 0 1 282.453 3.861 20 0 CHADMN CC(C)(C)OCCNCc1csc(-c2ccsc2)n1 ZINC000520221190 265703138 /nfs/dbraw/zinc/70/31/38/265703138.db2.gz WRQNNPXQAISRMV-UHFFFAOYSA-N 0 1 296.461 3.776 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1ccc2ccccc2n1 ZINC000356281075 266087411 /nfs/dbraw/zinc/08/74/11/266087411.db2.gz YZLFIZWSLCDYNJ-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN c1c(CN2CC3(CCC3)[C@H]2C2CC2)[nH]nc1-c1ccccc1 ZINC000356287505 266088276 /nfs/dbraw/zinc/08/82/76/266088276.db2.gz UFKGLEDCQKINLB-GOSISDBHSA-N 0 1 293.414 3.841 20 0 CHADMN Cc1nnc([C@@H](C)NCCc2ccc(F)cc2Cl)s1 ZINC000356440208 266114708 /nfs/dbraw/zinc/11/47/08/266114708.db2.gz PNOXMOAWEOTOIP-MRVPVSSYSA-N 0 1 299.802 3.532 20 0 CHADMN C[C@H]1C[C@H](CNc2ccnc3cc(F)ccc32)CCO1 ZINC000356801780 266177038 /nfs/dbraw/zinc/17/70/38/266177038.db2.gz XBLQKRMHLQKGAK-NWDGAFQWSA-N 0 1 274.339 3.601 20 0 CHADMN CC(C)CN(Cc1ncn(-c2ccccc2)n1)C1CCCC1 ZINC000356976170 266223336 /nfs/dbraw/zinc/22/33/36/266223336.db2.gz FWRIXWQMCKLQPJ-UHFFFAOYSA-N 0 1 298.434 3.668 20 0 CHADMN COCCN(Cc1ccc(Oc2ccccc2)o1)C1CC1 ZINC000356984843 266224830 /nfs/dbraw/zinc/22/48/30/266224830.db2.gz IBPORQVFPDHPJW-UHFFFAOYSA-N 0 1 287.359 3.683 20 0 CHADMN C[C@@H]1CC(C(=O)Nc2ccc3nc[nH]c3c2)C[C@@H](C)C1 ZINC000357348766 266281571 /nfs/dbraw/zinc/28/15/71/266281571.db2.gz SBTLZYYJUNJLSI-QWRGUYRKSA-N 0 1 271.364 3.574 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1nc2c(cccc2F)n1CC ZINC000357555656 266323215 /nfs/dbraw/zinc/32/32/15/266323215.db2.gz TYFLYXKTOTWKRF-STQMWFEESA-N 0 1 289.398 3.958 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1csc(N(C)C2CC2)n1 ZINC000357557204 266323521 /nfs/dbraw/zinc/32/35/21/266323521.db2.gz WKXQKPGIWOJIQG-AAEUAGOBSA-N 0 1 279.453 3.505 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H]3CCCC3(C)C)ccc12 ZINC000357577838 266329465 /nfs/dbraw/zinc/32/94/65/266329465.db2.gz FAOBQXDGBXGUPP-CYBMUJFWSA-N 0 1 271.364 3.636 20 0 CHADMN CCOc1ccc2nc(SCCc3cccnc3)[nH]c2c1 ZINC000357647939 266340296 /nfs/dbraw/zinc/34/02/96/266340296.db2.gz YQWXUOFDNCFBNM-UHFFFAOYSA-N 0 1 299.399 3.691 20 0 CHADMN COc1cc(C)ccc1CN[C@H](C)c1cnccc1C ZINC000357776221 266358446 /nfs/dbraw/zinc/35/84/46/266358446.db2.gz AFVGPVZFFPBORO-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1occc1CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000358018721 266398406 /nfs/dbraw/zinc/39/84/06/266398406.db2.gz JEVPTVOFYSFMJR-CYBMUJFWSA-N 0 1 298.386 3.566 20 0 CHADMN COc1cc2c(cc1F)nccc2NCc1ccoc1 ZINC000358943479 266510576 /nfs/dbraw/zinc/51/05/76/266510576.db2.gz COXMAJGFMYVHDR-UHFFFAOYSA-N 0 1 272.279 3.588 20 0 CHADMN CC(C)c1occc1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000360308509 266703845 /nfs/dbraw/zinc/70/38/45/266703845.db2.gz IRBKDCMIZAMEMB-UHFFFAOYSA-N 0 1 287.294 3.671 20 0 CHADMN CC(C)CC[C@@H](O)CN[C@H](c1ccccc1)c1ccccn1 ZINC000361294503 266817497 /nfs/dbraw/zinc/81/74/97/266817497.db2.gz KKINWYIBJRVWON-IEBWSBKVSA-N 0 1 298.430 3.558 20 0 CHADMN Oc1ccc2c(c1)C1(CC1)CN(CCCCC(F)(F)F)C2 ZINC000361563287 266848830 /nfs/dbraw/zinc/84/88/30/266848830.db2.gz HRQKHJWXXYGJHF-UHFFFAOYSA-N 0 1 299.336 3.972 20 0 CHADMN CC[C@H](N[C@@H](CCO)c1ccccc1)c1ccccc1OC ZINC000361880140 266898348 /nfs/dbraw/zinc/89/83/48/266898348.db2.gz KXTNUNIBOWYFGD-ROUUACIJSA-N 0 1 299.414 3.860 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc3ncsc3c2)nc1 ZINC000362525393 267001407 /nfs/dbraw/zinc/00/14/07/267001407.db2.gz MIYNXFUZHYVSEI-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN COc1ccnc(CN[C@@H](C)c2ccc3ncsc3c2)c1 ZINC000362557129 267007026 /nfs/dbraw/zinc/00/70/26/267007026.db2.gz XYUGIGCEBIHMDU-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN Cc1cc(C)c2c(c1)CN([C@@H](C)c1cccnc1)CC2 ZINC000362581536 267010200 /nfs/dbraw/zinc/01/02/00/267010200.db2.gz QYLSNMWCEBOAMS-HNNXBMFYSA-N 0 1 266.388 3.818 20 0 CHADMN Cc1cc(N2CCC=C(F)C2)c2cc(F)ccc2n1 ZINC000362647088 267029586 /nfs/dbraw/zinc/02/95/86/267029586.db2.gz BPGGTFJOIQOCLC-UHFFFAOYSA-N 0 1 260.287 3.746 20 0 CHADMN CC(C)CC[C@H]1CCCN1Cc1nc(CC(C)C)no1 ZINC000362957113 267067157 /nfs/dbraw/zinc/06/71/57/267067157.db2.gz HBLAARGIEWXGCQ-CQSZACIVSA-N 0 1 279.428 3.669 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H]2CCC2CCCC2)no1 ZINC000362963413 267068267 /nfs/dbraw/zinc/06/82/67/267068267.db2.gz MBLJZRMNZGSXRV-INIZCTEOSA-N 0 1 262.397 3.918 20 0 CHADMN Cc1cc(CN2CCC[C@H]2CCC2CCCC2)no1 ZINC000362963413 267068270 /nfs/dbraw/zinc/06/82/70/267068270.db2.gz MBLJZRMNZGSXRV-INIZCTEOSA-N 0 1 262.397 3.918 20 0 CHADMN CCOc1ccccc1[C@@H](CC)N[C@@H]1CCCc2n[nH]cc21 ZINC000367535014 267097445 /nfs/dbraw/zinc/09/74/45/267097445.db2.gz ZTCLWUCCFPYWER-HZPDHXFCSA-N 0 1 299.418 3.927 20 0 CHADMN CCn1cncc1CN1CCC[C@H]1c1ccc(F)cc1C ZINC000418116000 267098312 /nfs/dbraw/zinc/09/83/12/267098312.db2.gz PNAIATVHPJCLNF-KRWDZBQOSA-N 0 1 287.382 3.688 20 0 CHADMN Cc1coc(-c2cc(NCc3[nH]ncc3C)ccc2C)n1 ZINC000368068638 267144053 /nfs/dbraw/zinc/14/40/53/267144053.db2.gz BLFFPZWCSXHVIJ-UHFFFAOYSA-N 0 1 282.347 3.602 20 0 CHADMN Clc1ccc(CN2CCC([C@@H]3CCOC3)CC2)s1 ZINC000368283074 267159438 /nfs/dbraw/zinc/15/94/38/267159438.db2.gz IHNWKQIIMREKAO-GFCCVEGCSA-N 0 1 285.840 3.650 20 0 CHADMN c1ccc2c(c1)nccc2N1CCC[C@@H]1c1cccnc1 ZINC000370089211 267289954 /nfs/dbraw/zinc/28/99/54/267289954.db2.gz LLMLTQJSQFZZSG-QGZVFWFLSA-N 0 1 275.355 3.971 20 0 CHADMN C[C@H]1CC2(CCC2)CN1Cc1nc2ccc(F)cc2o1 ZINC000370497671 267323968 /nfs/dbraw/zinc/32/39/68/267323968.db2.gz CZEOHFIMGOHAIY-NSHDSACASA-N 0 1 274.339 3.731 20 0 CHADMN C[C@@H](N[C@H](C)C1CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000370597912 267329448 /nfs/dbraw/zinc/32/94/48/267329448.db2.gz HEUPXSFZEQSCHF-NXEZZACHSA-N 0 1 291.782 3.839 20 0 CHADMN COc1cccc([C@@H]2CCCN2Cc2ccc(C)cn2)c1 ZINC000119559993 267345004 /nfs/dbraw/zinc/34/50/04/267345004.db2.gz LZMGLIWSJQCQFY-SFHVURJKSA-N 0 1 282.387 3.736 20 0 CHADMN CC[N@@H+](Cc1ccc(COC)o1)Cc1cccc(F)c1 ZINC000120009015 267352238 /nfs/dbraw/zinc/35/22/38/267352238.db2.gz SAVXSJIYPHSUMY-UHFFFAOYSA-N 0 1 277.339 3.587 20 0 CHADMN CCN(Cc1ccc(COC)o1)Cc1cccc(F)c1 ZINC000120009015 267352243 /nfs/dbraw/zinc/35/22/43/267352243.db2.gz SAVXSJIYPHSUMY-UHFFFAOYSA-N 0 1 277.339 3.587 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1nnc(-c2ccccc2Cl)o1 ZINC000123073901 267985889 /nfs/dbraw/zinc/98/58/89/267985889.db2.gz VIFNSZHFTMXGEY-QWRGUYRKSA-N 0 1 291.782 3.763 20 0 CHADMN CC(C)c1cnc(CN2CCCC23CCC3)s1 ZINC000377201238 268055909 /nfs/dbraw/zinc/05/59/09/268055909.db2.gz HNOIMOZFNWJSHK-UHFFFAOYSA-N 0 1 250.411 3.785 20 0 CHADMN Cc1c([C@@H](C)NCc2ccoc2)cnn1-c1ccc(F)cc1 ZINC000171132627 327648096 /nfs/dbraw/zinc/64/80/96/327648096.db2.gz KXGQADUFFDMQGB-GFCCVEGCSA-N 0 1 299.349 3.764 20 0 CHADMN CC1(C)CCCC[C@@H]1NCc1nc(Cc2ccccc2)no1 ZINC000176668621 327705919 /nfs/dbraw/zinc/70/59/19/327705919.db2.gz PLNWZBVAWRUHTQ-HNNXBMFYSA-N 0 1 299.418 3.719 20 0 CHADMN C[C@H](N[C@H]1CCCOC1)c1cc(Cl)sc1Cl ZINC000167411697 327736988 /nfs/dbraw/zinc/73/69/88/327736988.db2.gz ITCFDJNHGXDKCP-YUMQZZPRSA-N 0 1 280.220 3.885 20 0 CHADMN C[C@H](N[C@@H]1CCC1(C)C)c1nnc(-c2ccccc2)o1 ZINC000580230699 327745355 /nfs/dbraw/zinc/74/53/55/327745355.db2.gz ZWKLTDAEDXHJTI-WCQYABFASA-N 0 1 271.364 3.576 20 0 CHADMN C[C@H](N[C@@H](C)[C@@H](C)c1ccccc1)c1nc(C2CC2)no1 ZINC000177474549 327789865 /nfs/dbraw/zinc/78/98/65/327789865.db2.gz TZNVSAQGJOANOL-AGIUHOORSA-N 0 1 285.391 3.790 20 0 CHADMN C[C@@H](N[C@@H]1CCOc2ccc(F)cc21)c1cccc(O)c1 ZINC000178758132 327796301 /nfs/dbraw/zinc/79/63/01/327796301.db2.gz UMTGRUGXLHNJML-BDJLRTHQSA-N 0 1 287.334 3.706 20 0 CHADMN COc1cc2c(cc1F)CC[C@H]2N[C@H](C)c1ccoc1 ZINC000582134133 327808190 /nfs/dbraw/zinc/80/81/90/327808190.db2.gz GVRVYWZBISGFPS-MEBBXXQBSA-N 0 1 275.323 3.765 20 0 CHADMN CC(C)(NCc1cc[nH]c1)c1cccc(Cl)c1F ZINC000185847360 327847769 /nfs/dbraw/zinc/84/77/69/327847769.db2.gz IUADQWYSODKWLV-UHFFFAOYSA-N 0 1 266.747 3.832 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1ccc(OC)cc1F ZINC000571051971 327986814 /nfs/dbraw/zinc/98/68/14/327986814.db2.gz GEVNVZFBLUNEND-LBPRGKRZSA-N 0 1 288.366 3.643 20 0 CHADMN CN(Cc1cc2ccc(F)cc2[nH]1)Cc1cccc(O)c1 ZINC000567993570 328000365 /nfs/dbraw/zinc/00/03/65/328000365.db2.gz MKNJVQYEQMTTFY-UHFFFAOYSA-N 0 1 284.334 3.645 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000563282971 328008598 /nfs/dbraw/zinc/00/85/98/328008598.db2.gz VLDBULCNHHRQNE-QGZVFWFLSA-N 0 1 287.403 3.728 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000563276848 328006847 /nfs/dbraw/zinc/00/68/47/328006847.db2.gz DQHBVTQIKVBEMV-DLBZAZTESA-N 0 1 289.419 3.755 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H]2C2CCCCC2)oc1C(=O)[O-] ZINC000563279356 328007142 /nfs/dbraw/zinc/00/71/42/328007142.db2.gz ZYYITJVRDGBYAS-HNNXBMFYSA-N 0 1 291.391 3.831 20 0 CHADMN C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)CC[C@@H]1C ZINC000563279892 328007259 /nfs/dbraw/zinc/00/72/59/328007259.db2.gz HTFOKUDJMKCFPA-QWRGUYRKSA-N 0 1 281.783 3.516 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C[C@H]1C ZINC000563279890 328007312 /nfs/dbraw/zinc/00/73/12/328007312.db2.gz HTFOKUDJMKCFPA-GHMZBOCLSA-N 0 1 281.783 3.516 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@@H](C)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000563282084 328007459 /nfs/dbraw/zinc/00/74/59/328007459.db2.gz MPCLPMWURMFPPL-WCQYABFASA-N 0 1 279.380 3.859 20 0 CHADMN Cc1ccc(C)c([C@H](C)[N@@H+](C)CCCCCC(=O)[O-])c1 ZINC000563281793 328007465 /nfs/dbraw/zinc/00/74/65/328007465.db2.gz DEADZUIAKDFTON-HNNXBMFYSA-N 0 1 277.408 3.941 20 0 CHADMN CCSCC[C@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])oc1CC ZINC000563282481 328007659 /nfs/dbraw/zinc/00/76/59/328007659.db2.gz HHVNCZVPKNDDPM-NSHDSACASA-N 0 1 299.436 3.504 20 0 CHADMN c1nc(-c2ccccc2)[nH]c1CNc1cccc(C2CC2)n1 ZINC000339430470 328010574 /nfs/dbraw/zinc/01/05/74/328010574.db2.gz XVPCYVCNNSDGTE-UHFFFAOYSA-N 0 1 290.370 3.961 20 0 CHADMN Cc1cccc(CN[C@H]2CCc3c2cccc3Cl)n1 ZINC000531684108 328021075 /nfs/dbraw/zinc/02/10/75/328021075.db2.gz TWWWMUDTCRMQRN-INIZCTEOSA-N 0 1 272.779 3.821 20 0 CHADMN Fc1ccc(F)c(CN[C@H]2CCc3c2cccc3F)c1 ZINC000110058666 328031615 /nfs/dbraw/zinc/03/16/15/328031615.db2.gz MMBNNSLPGHHQSX-INIZCTEOSA-N 0 1 277.289 3.881 20 0 CHADMN CC(C)CCC[C@@H](C)N(CCC(C)C)Cc1nncn1C ZINC000534106994 328035738 /nfs/dbraw/zinc/03/57/38/328035738.db2.gz FFTZTDFMXICXCK-MRXNPFEDSA-N 0 1 294.487 3.878 20 0 CHADMN CC[C@@]1(C)COCCN1Cc1ccc(C(F)(F)F)cc1 ZINC000534117725 328036121 /nfs/dbraw/zinc/03/61/21/328036121.db2.gz JTUWBELLQUAOLB-AWEZNQCLSA-N 0 1 287.325 3.706 20 0 CHADMN Cc1ncc2c(n1)CC[N@H+](CC[C@H]1C[C@H](C)C[C@H](C)C1)C2 ZINC000531801759 328036843 /nfs/dbraw/zinc/03/68/43/328036843.db2.gz AHMSNAVKMKMQJD-FOLVSLTJSA-N 0 1 287.451 3.606 20 0 CHADMN Fc1ccc(Br)cc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000531802143 328037194 /nfs/dbraw/zinc/03/71/94/328037194.db2.gz SRVSJCICAMAOJJ-GHMZBOCLSA-N 0 1 298.199 3.820 20 0 CHADMN Cc1cccc(CN(C)Cc2cnc(C3CC3)s2)c1 ZINC000534332671 328046829 /nfs/dbraw/zinc/04/68/29/328046829.db2.gz IEKWAZNZBIZMJJ-UHFFFAOYSA-N 0 1 272.417 3.961 20 0 CHADMN Cc1cc(CN(Cc2ccccn2)C(C)C)ccc1F ZINC000534347051 328047234 /nfs/dbraw/zinc/04/72/34/328047234.db2.gz DXNYCYSBKFKTAQ-UHFFFAOYSA-N 0 1 272.367 3.940 20 0 CHADMN Cc1nsc(C)c1CN1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000563356720 328057993 /nfs/dbraw/zinc/05/79/93/328057993.db2.gz UHYKGOGCRSQDBJ-JOYOIKCWSA-N 0 1 292.370 3.923 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2cncnc2C)c(C)s1 ZINC000563418555 328063733 /nfs/dbraw/zinc/06/37/33/328063733.db2.gz PFOSWFWZMVAYNN-NEPJUHHUSA-N 0 1 275.421 3.875 20 0 CHADMN C[C@H]1Cc2ccc(F)cc2[C@@H]1NCc1noc2ccccc12 ZINC000563419894 328063783 /nfs/dbraw/zinc/06/37/83/328063783.db2.gz ZXURIKOSWPFLER-BBATYDOGSA-N 0 1 296.345 3.990 20 0 CHADMN CC1(C2CC2)CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000563481202 328069639 /nfs/dbraw/zinc/06/96/39/328069639.db2.gz FESXOUPHXVYLSK-UHFFFAOYSA-N 0 1 297.402 3.749 20 0 CHADMN CCO[C@@H]1C[C@@H]1N[C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000563510320 328070711 /nfs/dbraw/zinc/07/07/11/328070711.db2.gz KLKMHYQXUQXXMW-JEBQAFNWSA-N 0 1 298.386 3.702 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])CC1CC(F)(F)C1 ZINC000571180174 328090965 /nfs/dbraw/zinc/09/09/65/328090965.db2.gz APWLQUPWCKRNMZ-CQSZACIVSA-N 0 1 297.345 3.570 20 0 CHADMN Cc1ccc2ncc(C[N@H+]3CC[C@]4(C3)CCCOC4)cc2c1 ZINC000411764811 328099309 /nfs/dbraw/zinc/09/93/09/328099309.db2.gz GXSCLPWHGUIICP-IBGZPJMESA-N 0 1 296.414 3.546 20 0 CHADMN CC(C)C[C@@H](N[C@H](C)c1ncc[nH]1)c1ccccc1 ZINC000139015174 328101559 /nfs/dbraw/zinc/10/15/59/328101559.db2.gz FQIQKCYPHCKEIG-UKRRQHHQSA-N 0 1 257.381 3.848 20 0 CHADMN CC[C@@H]1CC[C@@H]1Nc1ccccc1CN1CCSCC1 ZINC000571311528 328104484 /nfs/dbraw/zinc/10/44/84/328104484.db2.gz LGRFCDHSRKDLKB-PBHICJAKSA-N 0 1 290.476 3.836 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@@H]1C[C@H]1C1CCC1 ZINC000571334682 328109983 /nfs/dbraw/zinc/10/99/83/328109983.db2.gz YLUYDPXIEZIROG-DTWKUNHWSA-N 0 1 283.730 3.559 20 0 CHADMN Cc1cnn(C)c1CN(C)[C@H](C)c1cc(C)ccc1C ZINC000571445510 328121914 /nfs/dbraw/zinc/12/19/14/328121914.db2.gz BRJAJUYJHYOLDP-OAHLLOKOSA-N 0 1 271.408 3.538 20 0 CHADMN CCc1nc(C)c(CN[C@@H](C)c2ccc(C)s2)o1 ZINC000291831984 328122460 /nfs/dbraw/zinc/12/24/60/328122460.db2.gz FHNVMWDMBFTYJR-NSHDSACASA-N 0 1 264.394 3.766 20 0 CHADMN C/C=C/c1ccc(NC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC000571554258 328133575 /nfs/dbraw/zinc/13/35/75/328133575.db2.gz YLQVOKYTCCVKFN-PFWMLDTASA-N 0 1 286.419 3.921 20 0 CHADMN Cc1ccc([C@@H](N[C@@H](C)c2cc3n(n2)CCC3)C2CC2)cc1 ZINC000414064559 328152699 /nfs/dbraw/zinc/15/26/99/328152699.db2.gz NKTXTKVKTHHTRT-IFXJQAMLSA-N 0 1 295.430 3.940 20 0 CHADMN Cc1ccc([C@H](N[C@H](C)c2cc3n(n2)CCC3)C2CC2)cc1 ZINC000414064560 328152713 /nfs/dbraw/zinc/15/27/13/328152713.db2.gz NKTXTKVKTHHTRT-KUHUBIRLSA-N 0 1 295.430 3.940 20 0 CHADMN CCn1ccnc1NCc1csc(Cl)c1Cl ZINC000414307651 328154284 /nfs/dbraw/zinc/15/42/84/328154284.db2.gz UXKBLDRSYOFWST-UHFFFAOYSA-N 0 1 276.192 3.883 20 0 CHADMN C[C@H](N[C@@H]1CC[C@](C)(c2ccccc2)C1)c1csnn1 ZINC000414306806 328154296 /nfs/dbraw/zinc/15/42/96/328154296.db2.gz RFLKHEAFLSKETB-BJJXKVORSA-N 0 1 287.432 3.699 20 0 CHADMN CCc1ncc(CN[C@@H](c2ccc(F)c(C)c2)C2CC2)cn1 ZINC000414362665 328155304 /nfs/dbraw/zinc/15/53/04/328155304.db2.gz FMXYXVOZZHEKAR-GOSISDBHSA-N 0 1 299.393 3.727 20 0 CHADMN CN(Cc1ccc(Cl)s1)[C@@H](CO)c1ccccc1 ZINC000264002195 328156622 /nfs/dbraw/zinc/15/66/22/328156622.db2.gz GCRWAPLMUFYUOI-ZDUSSCGKSA-N 0 1 281.808 3.567 20 0 CHADMN Cc1cccc(CN(C)Cc2cc(CO)ccc2F)c1C ZINC000528505385 328165690 /nfs/dbraw/zinc/16/56/90/328165690.db2.gz HZSLWFTXOQISSG-UHFFFAOYSA-N 0 1 287.378 3.567 20 0 CHADMN Cc1occc1CN1Cc2ccccc2C2(CC2)C1 ZINC000414432929 328169169 /nfs/dbraw/zinc/16/91/69/328169169.db2.gz NLQIPCNAFRVNEB-UHFFFAOYSA-N 0 1 253.345 3.635 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN2CCC(c3ccncn3)CC2)o1 ZINC000414470847 328184316 /nfs/dbraw/zinc/18/43/16/328184316.db2.gz NNKRQFMOVXFKPL-CZUORRHYSA-N 0 1 297.402 3.573 20 0 CHADMN CC(C)(C)c1ccc(CN2CCCO[C@H](CF)C2)s1 ZINC000414474473 328185128 /nfs/dbraw/zinc/18/51/28/328185128.db2.gz DPCQFPDYZCFTNB-GFCCVEGCSA-N 0 1 285.428 3.606 20 0 CHADMN Cc1cccc([C@H](C)NCc2ccc(F)cn2)c1C ZINC000269019516 328188641 /nfs/dbraw/zinc/18/86/41/328188641.db2.gz PNCRPRJIPPDJNH-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN c1c[nH]c([C@H]2CCC[N@@H+]2Cc2cnc3ccccc3c2)c1 ZINC000269455120 328190591 /nfs/dbraw/zinc/19/05/91/328190591.db2.gz IDIUGUANCBTUMV-GOSISDBHSA-N 0 1 277.371 3.900 20 0 CHADMN c1c[nH]c([C@H]2CCCN2Cc2cnc3ccccc3c2)c1 ZINC000269455120 328190592 /nfs/dbraw/zinc/19/05/92/328190592.db2.gz IDIUGUANCBTUMV-GOSISDBHSA-N 0 1 277.371 3.900 20 0 CHADMN Cc1oc2ccccc2c1-c1nc([C@@H](N)CC(C)C)no1 ZINC000414613804 328201977 /nfs/dbraw/zinc/20/19/77/328201977.db2.gz GIKRABHNSNYTQG-LBPRGKRZSA-N 0 1 285.347 3.837 20 0 CHADMN Cc1ccc(C(F)(F)c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000414620689 328204450 /nfs/dbraw/zinc/20/44/50/328204450.db2.gz QIUYYDLCUMGNTO-LBPRGKRZSA-N 0 1 295.333 3.564 20 0 CHADMN CC[C@H](N[C@@H](C)c1cc(C(=O)OC)co1)c1ccccc1 ZINC000278688426 328229448 /nfs/dbraw/zinc/22/94/48/328229448.db2.gz KGKSUHHXWRCWBG-WFASDCNBSA-N 0 1 287.359 3.868 20 0 CHADMN CCS[C@H]1CCCC[N@@H+](Cc2ncc(C)s2)C1 ZINC000180490691 329220020 /nfs/dbraw/zinc/22/00/20/329220020.db2.gz LJPHKIADFSSOFW-LBPRGKRZSA-N 0 1 270.467 3.559 20 0 CHADMN CCS[C@H]1CCCCN(Cc2ncc(C)s2)C1 ZINC000180490691 329220021 /nfs/dbraw/zinc/22/00/21/329220021.db2.gz LJPHKIADFSSOFW-LBPRGKRZSA-N 0 1 270.467 3.559 20 0 CHADMN Cc1cc([C@H](C)NCc2c(C)cc(C)cc2C)nn1C ZINC000282225386 328241710 /nfs/dbraw/zinc/24/17/10/328241710.db2.gz PCMAQEHIRDRZQI-HNNXBMFYSA-N 0 1 271.408 3.505 20 0 CHADMN CCCc1ncc(CN[C@@H](C)c2ccc(C)s2)o1 ZINC000453370478 328298499 /nfs/dbraw/zinc/29/84/99/328298499.db2.gz IEIVFHUMNSRERB-NSHDSACASA-N 0 1 264.394 3.848 20 0 CHADMN CC[C@@H](NCC(F)(F)c1ccccc1)C1CCOCC1 ZINC000582151847 328304149 /nfs/dbraw/zinc/30/41/49/328304149.db2.gz SCJSGRSRPGSVAX-OAHLLOKOSA-N 0 1 283.362 3.573 20 0 CHADMN Clc1cccc(CN2CCN([C@@H]3C=CCCC3)CC2)c1 ZINC000110934263 328319773 /nfs/dbraw/zinc/31/97/73/328319773.db2.gz VDEJQXLNEBOQNX-QGZVFWFLSA-N 0 1 290.838 3.566 20 0 CHADMN CC(C)CCN1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000534663634 328351576 /nfs/dbraw/zinc/35/15/76/328351576.db2.gz HLOKWGFGTPJKJN-OAHLLOKOSA-N 0 1 299.361 3.707 20 0 CHADMN CC(C)[C@@H]1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000534726047 328359431 /nfs/dbraw/zinc/35/94/31/328359431.db2.gz RLJBIXBWLFIRFE-CQSZACIVSA-N 0 1 289.423 3.576 20 0 CHADMN Cc1ccc(NC(=O)CN2CCC3(C2)CCCCC3)cc1 ZINC000303862536 328362032 /nfs/dbraw/zinc/36/20/32/328362032.db2.gz GUXZMWSYWBTFGF-UHFFFAOYSA-N 0 1 286.419 3.590 20 0 CHADMN CCCCc1nc2ccc(NC(=O)CC(C)C)cc2[nH]1 ZINC000049486885 328363807 /nfs/dbraw/zinc/36/38/07/328363807.db2.gz MGLASOBPQOPOHH-UHFFFAOYSA-N 0 1 273.380 3.890 20 0 CHADMN Clc1ccc(SCCN2CCOC[C@@H]2C2CC2)cc1 ZINC000534864184 328365873 /nfs/dbraw/zinc/36/58/73/328365873.db2.gz XBXHEAFAUNHJOJ-OAHLLOKOSA-N 0 1 297.851 3.543 20 0 CHADMN Cc1cccc2nc(CNC(=O)C[C@@H]3CCCC[C@H]3C)[nH]c21 ZINC000535029594 328377170 /nfs/dbraw/zinc/37/71/70/328377170.db2.gz BFQCGDIYZSHOLG-OCCSQVGLSA-N 0 1 299.418 3.704 20 0 CHADMN CCc1ccc(CN(Cc2ccccn2)C(C)C)o1 ZINC000535082762 328385730 /nfs/dbraw/zinc/38/57/30/328385730.db2.gz FENGMACIPROGMN-UHFFFAOYSA-N 0 1 258.365 3.648 20 0 CHADMN C[C@@H](NCc1ccccc1CO)c1cc2ccccc2o1 ZINC000305150273 328393075 /nfs/dbraw/zinc/39/30/75/328393075.db2.gz TWHRALMQEUSEQE-CYBMUJFWSA-N 0 1 281.355 3.776 20 0 CHADMN COCC1CCN([C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000112354542 328400124 /nfs/dbraw/zinc/40/01/24/328400124.db2.gz TYYDYVLXGWIZHA-NSHDSACASA-N 0 1 285.790 3.899 20 0 CHADMN CCCCOc1ccc(CN2CC(CC(F)F)C2)cc1 ZINC000425360984 328470082 /nfs/dbraw/zinc/47/00/82/328470082.db2.gz WUVHYISPRPTEKU-UHFFFAOYSA-N 0 1 283.362 3.953 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C[C@@H]2CC[C@H](C)C2)c1 ZINC000331238252 328478858 /nfs/dbraw/zinc/47/88/58/328478858.db2.gz NLRLDQXQJQMIEU-NWDGAFQWSA-N 0 1 289.375 3.750 20 0 CHADMN CCCNc1ccccc1NC(=O)c1c(O)cccc1F ZINC000190132500 328489015 /nfs/dbraw/zinc/48/90/15/328489015.db2.gz FGXNAMZBUHYIHE-UHFFFAOYSA-N 0 1 288.322 3.606 20 0 CHADMN CC1(C)CC(CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000525859064 328509500 /nfs/dbraw/zinc/50/95/00/328509500.db2.gz INVIOAYHYPQZFZ-OAHLLOKOSA-N 0 1 287.382 3.664 20 0 CHADMN C[C@H](NC1CC(C)C1)c1nc(C(F)(F)F)cs1 ZINC000343846971 328554380 /nfs/dbraw/zinc/55/43/80/328554380.db2.gz DTNBLDRUQXCRLF-WTIBDHCWSA-N 0 1 264.316 3.611 20 0 CHADMN NC1(c2noc(-c3ccc(C(F)F)cc3)n2)CCCCC1 ZINC000335250649 328573999 /nfs/dbraw/zinc/57/39/99/328573999.db2.gz QXQZBYVTUCTLQM-UHFFFAOYSA-N 0 1 293.317 3.792 20 0 CHADMN COc1cc([C@@H](C)N[C@H](C)c2cccc(F)c2)ccn1 ZINC000347659491 328575613 /nfs/dbraw/zinc/57/56/13/328575613.db2.gz AXGKSSKTTWAOLN-VXGBXAGGSA-N 0 1 274.339 3.641 20 0 CHADMN Cn1ccnc1[C@H](N[C@@H]1CCC12CCCC2)c1ccccc1 ZINC000530439864 326806121 /nfs/dbraw/zinc/80/61/21/326806121.db2.gz WAMZEXWLSBOFBO-IAGOWNOFSA-N 0 1 295.430 3.822 20 0 CHADMN Oc1cc(Cl)ccc1-c1nc(-c2cccc(F)c2)no1 ZINC000109037312 326822409 /nfs/dbraw/zinc/82/24/09/326822409.db2.gz GJDMGULSUMBRAO-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN CC(C)C[C@@H]1CCC[C@@H](N[C@H](C)c2csnn2)C1 ZINC000398251201 326876476 /nfs/dbraw/zinc/87/64/76/326876476.db2.gz ACSLJRUHLSMRJX-FRRDWIJNSA-N 0 1 267.442 3.794 20 0 CHADMN Cc1cc(OCCOc2ccccc2Cl)cc(C)n1 ZINC000530770107 326890578 /nfs/dbraw/zinc/89/05/78/326890578.db2.gz ZTMLHSXYTDVQCW-UHFFFAOYSA-N 0 1 277.751 3.810 20 0 CHADMN CCC[C@@H](N[C@H](C)c1cnccn1)c1ccccc1 ZINC000070478609 326917246 /nfs/dbraw/zinc/91/72/46/326917246.db2.gz OXYOOTJUEMJTPS-UKRRQHHQSA-N 0 1 255.365 3.669 20 0 CHADMN Cc1c([C@H](C)N[C@@H](C)c2ccc(Cl)s2)cnn1C ZINC000037167584 326918228 /nfs/dbraw/zinc/91/82/28/326918228.db2.gz HMWUCFRSHHLQPD-IUCAKERBSA-N 0 1 283.828 3.855 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cc(Cl)sc2Cl)[C@@H](C)O1 ZINC000312600419 326925863 /nfs/dbraw/zinc/92/58/63/326925863.db2.gz KULFNXBXECWPGH-ZXFLCMHBSA-N 0 1 280.220 3.710 20 0 CHADMN C[C@H]1OCC[C@]1(C)NCc1cc(Cl)sc1Cl ZINC000312631624 326932853 /nfs/dbraw/zinc/93/28/53/326932853.db2.gz URKRUEXNLOZQDM-HQJQHLMTSA-N 0 1 280.220 3.712 20 0 CHADMN COc1ccnc(NC/C(C)=C/c2ccccc2)c1 ZINC000536338566 326937215 /nfs/dbraw/zinc/93/72/15/326937215.db2.gz JOAKPPPMUMVARA-JLHYYAGUSA-N 0 1 254.333 3.606 20 0 CHADMN Fc1ccc(CN2CCC(CC(F)(F)F)CC2)cc1 ZINC000556506335 326945975 /nfs/dbraw/zinc/94/59/75/326945975.db2.gz CRQAUUMCPDDFMW-UHFFFAOYSA-N 0 1 275.289 3.990 20 0 CHADMN CCCCc1nc(CN[C@H]2CCC2(C)C)cs1 ZINC000568182541 326961127 /nfs/dbraw/zinc/96/11/27/326961127.db2.gz SHDJLLIRYDCKMC-LBPRGKRZSA-N 0 1 252.427 3.764 20 0 CHADMN COC[C@@H](NC/C=C\c1ccc(F)cc1)c1ccc(C)o1 ZINC000255326576 326964183 /nfs/dbraw/zinc/96/41/83/326964183.db2.gz UWWMBEYRRQCEJW-MJSXRHKHSA-N 0 1 289.350 3.718 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1ccnc2ccccc12 ZINC000556845804 326971925 /nfs/dbraw/zinc/97/19/25/326971925.db2.gz BPKPCZOCHLTXEP-UHFFFAOYSA-N 0 1 295.386 3.865 20 0 CHADMN CC(C)CCc1nc(CN(C)[C@H](C)C2CC2)cs1 ZINC000557339560 327002250 /nfs/dbraw/zinc/00/22/50/327002250.db2.gz GEFAQUSTIQHCJJ-GFCCVEGCSA-N 0 1 266.454 3.962 20 0 CHADMN COc1ccccc1/C=C\CN1CCC(C(F)(F)F)CC1 ZINC000255696873 327005214 /nfs/dbraw/zinc/00/52/14/327005214.db2.gz XRXHSQXSHUJHGH-XQRVVYSFSA-N 0 1 299.336 3.983 20 0 CHADMN CC[C@@H]1CCC[C@H](C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])C1 ZINC000263306011 327013545 /nfs/dbraw/zinc/01/35/45/327013545.db2.gz FEEXTJWXKGNHNY-JJTUDDRGSA-N 0 1 293.451 3.921 20 0 CHADMN CC(C)=CCC[C@@H](C)CC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000568866417 327020368 /nfs/dbraw/zinc/02/03/68/327020368.db2.gz AIVJTTUNOMBRDZ-ZIAGYGMSSA-N 0 1 291.439 3.538 20 0 CHADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000263349725 327020815 /nfs/dbraw/zinc/02/08/15/327020815.db2.gz PLHYBGJXDHMUAQ-HIFRSBDPSA-N 0 1 289.419 3.527 20 0 CHADMN Cc1cccc(CNCc2ccc(CC(C)C)cc2)n1 ZINC000088296661 327022131 /nfs/dbraw/zinc/02/21/31/327022131.db2.gz KWAZPSQUTJQFRH-UHFFFAOYSA-N 0 1 268.404 3.878 20 0 CHADMN COc1ccc(CNCc2cnc3ccccc3c2)c(F)c1 ZINC000557832448 327030359 /nfs/dbraw/zinc/03/03/59/327030359.db2.gz UQYFOMNVSKSDJA-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN C/C=C/c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC000569143612 327038344 /nfs/dbraw/zinc/03/83/44/327038344.db2.gz HBBSZNXGAKSNRE-SEJWUHKESA-N 0 1 272.392 3.533 20 0 CHADMN C/C=C/c1ccc(NC(=O)[C@@H]2CCCCN2CC)cc1 ZINC000569143612 327038345 /nfs/dbraw/zinc/03/83/45/327038345.db2.gz HBBSZNXGAKSNRE-SEJWUHKESA-N 0 1 272.392 3.533 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC000263459828 327039299 /nfs/dbraw/zinc/03/92/99/327039299.db2.gz BLJUUCOOCWCAKY-RHSMWYFYSA-N 0 1 289.419 3.570 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2c2cccs2)s1 ZINC000584118922 327042908 /nfs/dbraw/zinc/04/29/08/327042908.db2.gz PYKYRWXXUHSKHU-NSHDSACASA-N 0 1 293.413 3.845 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc2c(c1)CCCC2 ZINC000565874411 327049131 /nfs/dbraw/zinc/04/91/31/327049131.db2.gz QTAOWKIECTZYIC-UHFFFAOYSA-N 0 1 297.402 3.973 20 0 CHADMN COC[C@@H](N[C@@H](C)c1c(F)cccc1Cl)C(C)C ZINC000394070501 327079659 /nfs/dbraw/zinc/07/96/59/327079659.db2.gz RFOUGYHCBGHJAN-GXFFZTMASA-N 0 1 273.779 3.801 20 0 CHADMN CCc1cc(CCCN(C)Cc2ccccc2Cl)on1 ZINC000558399461 327090532 /nfs/dbraw/zinc/09/05/32/327090532.db2.gz OVCOKZCHXOIHNU-UHFFFAOYSA-N 0 1 292.810 3.955 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1ccc(Cl)cn1 ZINC000558408472 327091754 /nfs/dbraw/zinc/09/17/54/327091754.db2.gz LXNYUQFFPYWYBA-HNNXBMFYSA-N 0 1 275.783 3.713 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1ccc(Cl)cn1 ZINC000558408477 327091783 /nfs/dbraw/zinc/09/17/83/327091783.db2.gz LXNYUQFFPYWYBA-OAHLLOKOSA-N 0 1 275.783 3.713 20 0 CHADMN Fc1cccc([C@@H]2CCN(Cc3ccc(Cl)cn3)C2)c1 ZINC000558408138 327092231 /nfs/dbraw/zinc/09/22/31/327092231.db2.gz SCQBCOLCDLBGBJ-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN CCOc1ccccc1CN[C@@H](C)c1ccc(OC)cc1 ZINC000090339851 327094451 /nfs/dbraw/zinc/09/44/51/327094451.db2.gz JJYHGMICBRYTLR-AWEZNQCLSA-N 0 1 285.387 3.945 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000558470205 327096544 /nfs/dbraw/zinc/09/65/44/327096544.db2.gz ORUOLPZQNWUYCA-WQVCFCJDSA-N 0 1 277.383 3.776 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1Cc1nc(C(C)(C)C)no1 ZINC000558562608 327105980 /nfs/dbraw/zinc/10/59/80/327105980.db2.gz FWDYENYBBWHXSK-CHWSQXEVSA-N 0 1 279.428 3.768 20 0 CHADMN CC1(C)CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000566014970 327116172 /nfs/dbraw/zinc/11/61/72/327116172.db2.gz BWLBGGIZYREISY-CYBMUJFWSA-N 0 1 281.783 3.588 20 0 CHADMN COc1ccc(CN2CCC[C@@H]2/C=C\c2ccccc2)nc1 ZINC000558721929 327117011 /nfs/dbraw/zinc/11/70/11/327117011.db2.gz OMCTXJSMKHEFLB-LECLMCCNSA-N 0 1 294.398 3.768 20 0 CHADMN CC(C)SCCN1CCc2cccc(F)c2[C@H]1C ZINC000558726087 327117533 /nfs/dbraw/zinc/11/75/33/327117533.db2.gz VMNCTPKHRJGOOH-GFCCVEGCSA-N 0 1 267.413 3.886 20 0 CHADMN CCc1ccc(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)nc1 ZINC000559149120 327143590 /nfs/dbraw/zinc/14/35/90/327143590.db2.gz DPJUETHOXSAHFB-GOSISDBHSA-N 0 1 280.415 3.942 20 0 CHADMN C[C@@H](NCc1ccc(Br)cc1)c1ccoc1 ZINC000087289557 327162238 /nfs/dbraw/zinc/16/22/38/327162238.db2.gz FFSVKQUDAVJWOZ-SNVBAGLBSA-N 0 1 280.165 3.893 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000569371223 327168544 /nfs/dbraw/zinc/16/85/44/327168544.db2.gz WXMLCMWGASOLNQ-HNNXBMFYSA-N 0 1 293.382 3.925 20 0 CHADMN CC1(C)CCN(Cc2ccc(F)cc2Br)C1 ZINC000091439707 327170131 /nfs/dbraw/zinc/17/01/31/327170131.db2.gz ZGDAFPDTJROFSO-UHFFFAOYSA-N 0 1 286.188 3.820 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)c1 ZINC000518547169 327173319 /nfs/dbraw/zinc/17/33/19/327173319.db2.gz WWNCHDXJUHGIBT-ROJDOSBLSA-N 0 1 297.354 3.656 20 0 CHADMN CC(C)(C)c1nc(CNCc2ccc(C3CCC3)cc2)n[nH]1 ZINC000572699303 327183415 /nfs/dbraw/zinc/18/34/15/327183415.db2.gz OIRSJLRWAWYINB-UHFFFAOYSA-N 0 1 298.434 3.660 20 0 CHADMN CCOC[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000093838871 327200169 /nfs/dbraw/zinc/20/01/69/327200169.db2.gz GYTZRJJKLOTPKE-NSHDSACASA-N 0 1 288.218 3.852 20 0 CHADMN CCCCO[C@@H]1C[C@H](N(C)Cc2cncs2)C1(C)C ZINC000093898469 327200724 /nfs/dbraw/zinc/20/07/24/327200724.db2.gz OLZNXZRIAPYECO-UONOGXRCSA-N 0 1 282.453 3.559 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3c(C)cccc3F)[nH]n2)o1 ZINC000181671569 327212464 /nfs/dbraw/zinc/21/24/64/327212464.db2.gz SNZDMYULYUEBIZ-UHFFFAOYSA-N 0 1 299.305 3.678 20 0 CHADMN Cc1cccc(CN2CC=C(C(F)(F)F)CC2)c1 ZINC000533833492 327220652 /nfs/dbraw/zinc/22/06/52/327220652.db2.gz SFFZAIWNIRSPGV-UHFFFAOYSA-N 0 1 255.283 3.689 20 0 CHADMN COc1ccccc1C(C)(C)NCc1ccccc1F ZINC000103172012 327233671 /nfs/dbraw/zinc/23/36/71/327233671.db2.gz BXDVFEAPPRLWKH-UHFFFAOYSA-N 0 1 273.351 3.859 20 0 CHADMN CCC(O)(CC)CNCc1csc(-c2cccs2)n1 ZINC000103170670 327233717 /nfs/dbraw/zinc/23/37/17/327233717.db2.gz LHWOHWWCTKEMLH-UHFFFAOYSA-N 0 1 296.461 3.512 20 0 CHADMN CCCCN(Cc1cn(C)nn1)[C@H](CC)c1ccccc1 ZINC000536378190 327234039 /nfs/dbraw/zinc/23/40/39/327234039.db2.gz KTLQUHCOPGSEHW-QGZVFWFLSA-N 0 1 286.423 3.569 20 0 CHADMN CC(C)[C@H]1CN(Cc2ccccc2OC(F)F)CCCO1 ZINC000559497921 327249118 /nfs/dbraw/zinc/24/91/18/327249118.db2.gz QOGPCJZKNQLXNC-OAHLLOKOSA-N 0 1 299.361 3.535 20 0 CHADMN CCc1nocc1CSc1nc2ccc(C)cc2[nH]1 ZINC000559629787 327256223 /nfs/dbraw/zinc/25/62/23/327256223.db2.gz GQLXQEUUGRYKPV-UHFFFAOYSA-N 0 1 273.361 3.714 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2cn3ccccc3n2)cc1 ZINC000559895797 327269315 /nfs/dbraw/zinc/26/93/15/327269315.db2.gz NYAUPSGLCUUOJE-CQSZACIVSA-N 0 1 295.386 3.584 20 0 CHADMN C[C@@H](N[C@H]1CCc2ccc(F)cc21)c1cn2ccccc2n1 ZINC000559918822 327271205 /nfs/dbraw/zinc/27/12/05/327271205.db2.gz ITDLQGMPMHVRFA-WBMJQRKESA-N 0 1 295.361 3.812 20 0 CHADMN Cc1nocc1CN1CCC(c2ccccc2F)CC1 ZINC000560457959 327309692 /nfs/dbraw/zinc/30/96/92/327309692.db2.gz HAECYSHYHHWUPO-UHFFFAOYSA-N 0 1 274.339 3.502 20 0 CHADMN CCC1(C)CCN(CC(=O)Nc2ccc(C)cc2C)CC1 ZINC000507180205 332793619 /nfs/dbraw/zinc/79/36/19/332793619.db2.gz IDVMRKAWXYMJSR-UHFFFAOYSA-N 0 1 288.435 3.754 20 0 CHADMN c1nc2ccc(CNc3ccc4scnc4c3)cc2[nH]1 ZINC000583357298 327318044 /nfs/dbraw/zinc/31/80/44/327318044.db2.gz MDJVQHVTDONCOP-UHFFFAOYSA-N 0 1 280.356 3.785 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@H](C)c1ccc2n[nH]cc2c1 ZINC000560582984 327327849 /nfs/dbraw/zinc/32/78/49/327327849.db2.gz MZJJFOAKGMJMSU-CHWSQXEVSA-N 0 1 294.402 3.932 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3occc32)ccc1F ZINC000050544840 327332180 /nfs/dbraw/zinc/33/21/80/327332180.db2.gz BRQLSACACAJTTJ-OAHLLOKOSA-N 0 1 259.324 3.894 20 0 CHADMN C[N@@H+](CC1CCCC1)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000566358671 327334944 /nfs/dbraw/zinc/33/49/44/327334944.db2.gz KMKXQORTAUWPPX-CQSZACIVSA-N 0 1 299.773 3.727 20 0 CHADMN CC(C)CC[C@@H]1CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000566362943 327337849 /nfs/dbraw/zinc/33/78/49/327337849.db2.gz XQOPMOOJHLSHLH-ZDUSSCGKSA-N 0 1 281.421 3.847 20 0 CHADMN C[C@H](NC1CCC2(CCCC2)CC1)c1csnn1 ZINC000334847623 327395229 /nfs/dbraw/zinc/39/52/29/327395229.db2.gz OHQHVDCJSTXHHC-NSHDSACASA-N 0 1 265.426 3.692 20 0 CHADMN C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1ccccc1F ZINC000151041792 327418622 /nfs/dbraw/zinc/41/86/22/327418622.db2.gz SIAJMQZSJYTZGK-DIFFPNOSSA-N 0 1 273.326 3.988 20 0 CHADMN CCOc1ncccc1CN[C@@H](C)c1cc(C)cc(C)c1 ZINC000151173436 327451576 /nfs/dbraw/zinc/45/15/76/327451576.db2.gz ANPDZJRZILDADI-HNNXBMFYSA-N 0 1 284.403 3.948 20 0 CHADMN NC1(c2noc(Cc3ccc4ccccc4c3)n2)CCCC1 ZINC000261852750 327453712 /nfs/dbraw/zinc/45/37/12/327453712.db2.gz DPCKJZDZECHPGI-UHFFFAOYSA-N 0 1 293.370 3.542 20 0 CHADMN CC(C)[C@@H]1CCC[C@@H]1NCc1noc(-c2cccs2)n1 ZINC000562520725 327488128 /nfs/dbraw/zinc/48/81/28/327488128.db2.gz PBHVRFNHNZKRBI-RYUDHWBXSA-N 0 1 291.420 3.712 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@H](C)c1cncnc1C ZINC000569940587 327557396 /nfs/dbraw/zinc/55/73/96/327557396.db2.gz GRDAKKIUAAYTOC-CHWSQXEVSA-N 0 1 287.432 3.919 20 0 CHADMN CC(C)C[C@@H](C)CNCc1nnc(C(C)(C)C)s1 ZINC000570085110 327567918 /nfs/dbraw/zinc/56/79/18/327567918.db2.gz PDFVMRBWDWRTDA-LLVKDONJSA-N 0 1 269.458 3.607 20 0 CHADMN Cc1cc(C)cc(CN[C@H](c2ccccc2F)[C@@H](C)O)c1 ZINC000570688691 327611434 /nfs/dbraw/zinc/61/14/34/327611434.db2.gz DDKZBURBSXTMBY-KDOFPFPSSA-N 0 1 287.378 3.654 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2NCc1cccc(C)n1 ZINC000051573675 328623391 /nfs/dbraw/zinc/62/33/91/328623391.db2.gz RVAOLKBWQUSSCB-GOSISDBHSA-N 0 1 282.387 3.566 20 0 CHADMN Cc1ccccc1-c1cnc(CN2CCCCC2)o1 ZINC000536020309 328652867 /nfs/dbraw/zinc/65/28/67/328652867.db2.gz YZABDGRPDZSODE-UHFFFAOYSA-N 0 1 256.349 3.636 20 0 CHADMN CCC[C@H](NCc1c(C)nn(CC)c1C)c1ccccn1 ZINC000536585960 328667504 /nfs/dbraw/zinc/66/75/04/328667504.db2.gz XUXZLUKFRVQTOD-INIZCTEOSA-N 0 1 286.423 3.546 20 0 CHADMN CC(C)OC1CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000536647087 328674163 /nfs/dbraw/zinc/67/41/63/328674163.db2.gz GFXVIOYCEBBBAV-XJKSGUPXSA-N 0 1 277.408 3.792 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1ccncn1)c1ccccc1 ZINC000395838196 328761483 /nfs/dbraw/zinc/76/14/83/328761483.db2.gz ZQIVFRDADSDDII-XJKSGUPXSA-N 0 1 255.365 3.669 20 0 CHADMN CC1CCC(N(C)C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000042306604 328765001 /nfs/dbraw/zinc/76/50/01/328765001.db2.gz AFIBFMAHKLUZKB-UHFFFAOYSA-N 0 1 281.783 3.696 20 0 CHADMN Fc1ccc(CN[C@@H]2CCc3c2c(F)ccc3F)cc1 ZINC000507844035 332827408 /nfs/dbraw/zinc/82/74/08/332827408.db2.gz IYLHTOKCCXPWLA-OAHLLOKOSA-N 0 1 277.289 3.881 20 0 CHADMN COc1cccc(CN[C@@H](c2ncc[nH]2)C2CCCCC2)c1 ZINC000367622679 328932739 /nfs/dbraw/zinc/93/27/39/328932739.db2.gz VAAYSHLBEWHETD-QGZVFWFLSA-N 0 1 299.418 3.830 20 0 CHADMN c1nc(NC2CCC3(CCCO3)CC2)cc2c1CCCC2 ZINC000582394149 328978173 /nfs/dbraw/zinc/97/81/73/328978173.db2.gz FYZOAMXHYOOIBW-UHFFFAOYSA-N 0 1 286.419 3.864 20 0 CHADMN CC(C)n1ncc2c1[C@H](N[C@@H](C)c1ccoc1)CCC2 ZINC000375183131 329001521 /nfs/dbraw/zinc/00/15/21/329001521.db2.gz MRLNVSYJKMIHBI-SWLSCSKDSA-N 0 1 273.380 3.785 20 0 CHADMN CCSCCN(C)Cc1csc(Br)c1 ZINC000122917216 329006886 /nfs/dbraw/zinc/00/68/86/329006886.db2.gz UGIYSLRWJXNRFF-UHFFFAOYSA-N 0 1 294.283 3.696 20 0 CHADMN Cc1ccccc1CN1CCC[C@H]1c1nccs1 ZINC000377502999 329017054 /nfs/dbraw/zinc/01/70/54/329017054.db2.gz PXRRTPFCLRRNKY-AWEZNQCLSA-N 0 1 258.390 3.789 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2)C(C)(C)C)on1 ZINC000193540476 329058809 /nfs/dbraw/zinc/05/88/09/329058809.db2.gz ICFZMUWZGICUCX-HNNXBMFYSA-N 0 1 258.365 3.860 20 0 CHADMN Cc1ccccc1[C@H](C)SCc1n[nH]c(C2CC2)n1 ZINC000193693199 329061041 /nfs/dbraw/zinc/06/10/41/329061041.db2.gz ZKFXAPDYEMIYHT-NSHDSACASA-N 0 1 273.405 3.985 20 0 CHADMN C=Cn1cc(CN2CC[C@H](C)C[C@H]2c2ccc(C)o2)cn1 ZINC000194056111 329065046 /nfs/dbraw/zinc/06/50/46/329065046.db2.gz UGPPJAWJDINXAR-BBRMVZONSA-N 0 1 285.391 3.858 20 0 CHADMN OCCCCN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000170871481 329068583 /nfs/dbraw/zinc/06/85/83/329068583.db2.gz OEGZCZNBZBZRPG-CQSZACIVSA-N 0 1 288.218 3.903 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1cc(C)c(C(=O)[O-])o1 ZINC000583699031 329069463 /nfs/dbraw/zinc/06/94/63/329069463.db2.gz YUEYVUQTLQXRIL-FZMZJTMJSA-N 0 1 279.380 3.687 20 0 CHADMN Cc1ncc(CN(C)Cc2ccc3c(c2)CCC3)s1 ZINC000172287773 329084546 /nfs/dbraw/zinc/08/45/46/329084546.db2.gz QWGAWJROXSVTQT-UHFFFAOYSA-N 0 1 272.417 3.572 20 0 CHADMN Fc1ccc(CN[C@H]2CCC[C@H]2F)cc1Br ZINC000393415799 329092116 /nfs/dbraw/zinc/09/21/16/329092116.db2.gz AQFXJIGPBUUVJC-NEPJUHHUSA-N 0 1 290.151 3.568 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](Cc1ccc(C2CCC2)cc1)C1CCC1 ZINC000582616500 329118125 /nfs/dbraw/zinc/11/81/25/329118125.db2.gz CYVOGYKODZTJIA-CYBMUJFWSA-N 0 1 287.403 3.782 20 0 CHADMN CCc1ccc([C@@H]2CCCCCN2Cc2cnn(C)c2)o1 ZINC000172642129 329135963 /nfs/dbraw/zinc/13/59/63/329135963.db2.gz COEBNIIJLJCVTM-INIZCTEOSA-N 0 1 287.407 3.693 20 0 CHADMN Cc1cccc2nc(CCc3nc(C4CCCC4)no3)[nH]c21 ZINC000175441225 329168615 /nfs/dbraw/zinc/16/86/15/329168615.db2.gz RAMNNXURAWBFGQ-UHFFFAOYSA-N 0 1 296.374 3.697 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2ccccn2)cc1C ZINC000177117096 329181219 /nfs/dbraw/zinc/18/12/19/329181219.db2.gz CHDQNADDUBZNEM-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN CCO[C@H]1C[C@@H](N(C)Cc2nc(C)c(C)s2)C12CCC2 ZINC000177673136 329188887 /nfs/dbraw/zinc/18/88/87/329188887.db2.gz BADCGLRWVYCOKW-KGLIPLIRSA-N 0 1 294.464 3.539 20 0 CHADMN CCO[C@@H]1C[C@H](N(C)Cc2nc(C)c(C)s2)C12CCC2 ZINC000177673106 329188910 /nfs/dbraw/zinc/18/89/10/329188910.db2.gz BADCGLRWVYCOKW-UONOGXRCSA-N 0 1 294.464 3.539 20 0 CHADMN Cc1cc(CN(C)[C@H]2CCCc3c2cnn3C)c(C)s1 ZINC000178491950 329197435 /nfs/dbraw/zinc/19/74/35/329197435.db2.gz HXTULRCOFZKXPV-HNNXBMFYSA-N 0 1 289.448 3.608 20 0 CHADMN CCOc1ccc2c(c1)[C@H](N[C@@H](C)c1cccnc1)CCO2 ZINC000178313760 329198633 /nfs/dbraw/zinc/19/86/33/329198633.db2.gz RTAOMVSHSJAJPG-SUMWQHHRSA-N 0 1 298.386 3.655 20 0 CHADMN c1cc(CNCc2cccc(-c3cccnc3)c2)co1 ZINC000178852868 329204470 /nfs/dbraw/zinc/20/44/70/329204470.db2.gz APUJMGVGYTXGAC-UHFFFAOYSA-N 0 1 264.328 3.631 20 0 CHADMN Cc1ccc2nc(CNC(=O)C(C)(C)C3CCCC3)[nH]c2c1 ZINC000179368882 329204875 /nfs/dbraw/zinc/20/48/75/329204875.db2.gz KZRJVLNQGUBMRK-UHFFFAOYSA-N 0 1 299.418 3.704 20 0 CHADMN CCN(C/C=C\c1ccc(F)cc1)Cc1ccccn1 ZINC000179606503 329210529 /nfs/dbraw/zinc/21/05/29/329210529.db2.gz YCPBIVYGKAMZQN-WAYWQWQTSA-N 0 1 270.351 3.756 20 0 CHADMN CN(Cc1ccc(Oc2ccccc2)o1)C[C@@H]1CCCO1 ZINC000180420344 329216296 /nfs/dbraw/zinc/21/62/96/329216296.db2.gz IPLPBDIUKQVFSH-HNNXBMFYSA-N 0 1 287.359 3.683 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2n[nH]c(C3CC3)n2)c1C ZINC000180422706 329216837 /nfs/dbraw/zinc/21/68/37/329216837.db2.gz POZKEIZELVWVTO-MRXNPFEDSA-N 0 1 296.418 3.636 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3csc(C)c3C)ccc12 ZINC000180543913 329220521 /nfs/dbraw/zinc/22/05/21/329220521.db2.gz BTVUMGJKTYGWCF-UHFFFAOYSA-N 0 1 285.372 3.802 20 0 CHADMN Cc1nn(C)cc1CN1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000180781489 329222883 /nfs/dbraw/zinc/22/28/83/329222883.db2.gz ODNIBLFTDXVYKS-UHFFFAOYSA-N 0 1 295.430 3.635 20 0 CHADMN CCn1cc([C@H](C)NCc2ccccc2OC2CCC2)cn1 ZINC000180974314 329224688 /nfs/dbraw/zinc/22/46/88/329224688.db2.gz WIZFQODLWZQGFX-AWEZNQCLSA-N 0 1 299.418 3.685 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N(Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000181377446 329232248 /nfs/dbraw/zinc/23/22/48/329232248.db2.gz PFOIGBJKPWKRDI-CHWSQXEVSA-N 0 1 288.439 3.501 20 0 CHADMN CCCc1ccc(CN(C)Cc2cccnc2)cc1 ZINC000181191241 329233319 /nfs/dbraw/zinc/23/33/19/329233319.db2.gz LGUWSTCENAWXJL-UHFFFAOYSA-N 0 1 254.377 3.666 20 0 CHADMN C[C@H](c1ccccc1)[C@H](C)NCc1nc(-c2ccoc2)no1 ZINC000181540715 329234186 /nfs/dbraw/zinc/23/41/86/329234186.db2.gz VYPRWTWHYCBWBA-STQMWFEESA-N 0 1 297.358 3.611 20 0 CHADMN CO[C@H](C)c1nc(CN2C[C@@H](C)[C@H]3CCCC[C@@H]32)cs1 ZINC000182503938 329242680 /nfs/dbraw/zinc/24/26/80/329242680.db2.gz NPBRFJGFRPUABN-GBOPCIDUSA-N 0 1 294.464 3.861 20 0 CHADMN OCc1ccc(C[N@H+]2CCCCC[C@H]2c2ccco2)cc1 ZINC000182799484 329244705 /nfs/dbraw/zinc/24/47/05/329244705.db2.gz WFLMYNSDEPVVDU-KRWDZBQOSA-N 0 1 285.387 3.889 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2C[C@H]3CCC[C@@H]3C2)s1 ZINC000183605094 329251406 /nfs/dbraw/zinc/25/14/06/329251406.db2.gz MSXIEKGXNFUYFT-NXEZZACHSA-N 0 1 290.354 3.702 20 0 CHADMN Oc1cc(F)cc(CNCc2ccc(Cl)s2)c1 ZINC000184142887 329256728 /nfs/dbraw/zinc/25/67/28/329256728.db2.gz HQKSNBPNQIUKPJ-UHFFFAOYSA-N 0 1 271.744 3.536 20 0 CHADMN Cc1c(C[N@@H+](C)[C@@H]2CCc3ccc(Cl)cc32)cnn1C ZINC000582825225 329272561 /nfs/dbraw/zinc/27/25/61/329272561.db2.gz BLIPGMQYQFFKDD-MRXNPFEDSA-N 0 1 289.810 3.501 20 0 CHADMN Cc1c(CN(C)[C@@H]2CCc3ccc(Cl)cc32)cnn1C ZINC000582825225 329272562 /nfs/dbraw/zinc/27/25/62/329272562.db2.gz BLIPGMQYQFFKDD-MRXNPFEDSA-N 0 1 289.810 3.501 20 0 CHADMN CC[C@H](O)[C@@H]1CCCCN1Cc1ccc(F)c(Cl)c1 ZINC000530336278 329274491 /nfs/dbraw/zinc/27/44/91/329274491.db2.gz AOBMVUJNTDAZFL-GJZGRUSLSA-N 0 1 285.790 3.605 20 0 CHADMN C[C@@H]1CCC[N@H+]1[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000582909896 329286821 /nfs/dbraw/zinc/28/68/21/329286821.db2.gz ZPFWUNOLYVDLRW-PELKAZGASA-N 0 1 288.174 3.603 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000582909470 329287035 /nfs/dbraw/zinc/28/70/35/329287035.db2.gz MXWDYWNLZMIUCS-KRWDZBQOSA-N 0 1 289.419 3.729 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000582910276 329287377 /nfs/dbraw/zinc/28/73/77/329287377.db2.gz HTSJFSYFFQNJPM-MRXNPFEDSA-N 0 1 289.419 3.503 20 0 CHADMN CC[N@H+](Cc1cccs1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000582970389 329296250 /nfs/dbraw/zinc/29/62/50/329296250.db2.gz NUYIHNJNOYADDW-CQSZACIVSA-N 0 1 293.363 3.535 20 0 CHADMN CC[N@@H+](Cc1cccs1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000582970389 329296251 /nfs/dbraw/zinc/29/62/51/329296251.db2.gz NUYIHNJNOYADDW-CQSZACIVSA-N 0 1 293.363 3.535 20 0 CHADMN CC(C)Cc1ccc([C@H](NCc2cnccn2)C2CC2)cc1 ZINC000583129423 329316529 /nfs/dbraw/zinc/31/65/29/329316529.db2.gz GKSZIEJWGKUEFY-IBGZPJMESA-N 0 1 295.430 3.916 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2CCCCCC(=O)[O-])cc1 ZINC000583147329 329322657 /nfs/dbraw/zinc/32/26/57/329322657.db2.gz MAFZDUHSPVZGIY-MRXNPFEDSA-N 0 1 275.392 3.777 20 0 CHADMN C[C@@]12CC[N@@H+](CCc3cccc(Cl)c3)C[C@@H]1C2(F)F ZINC000459553793 329326231 /nfs/dbraw/zinc/32/62/31/329326231.db2.gz BPLGDCMCZRYAHD-UONOGXRCSA-N 0 1 285.765 3.860 20 0 CHADMN COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(O)cc(F)c2)cc1 ZINC000186174186 329338966 /nfs/dbraw/zinc/33/89/66/329338966.db2.gz SPPVGFDRQKKROB-GFCCVEGCSA-N 0 1 289.350 3.733 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccoc2C)cc1F ZINC000321276781 329339388 /nfs/dbraw/zinc/33/93/88/329339388.db2.gz SIINTTBZSIUOKO-SNVBAGLBSA-N 0 1 263.312 3.587 20 0 CHADMN CCSc1cccc(CN(C)[C@H](C)c2cnn(C)c2)c1 ZINC000186395335 329343800 /nfs/dbraw/zinc/34/38/00/329343800.db2.gz FNIDEWYASNHUDL-CYBMUJFWSA-N 0 1 289.448 3.725 20 0 CHADMN Cc1nc([C@@H](C)N[C@H](C)c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000392475404 329345839 /nfs/dbraw/zinc/34/58/39/329345839.db2.gz SEYWSPCURHNWHV-RKDXNWHRSA-N 0 1 298.312 3.544 20 0 CHADMN COc1ccc(CN2CCCC3(CC3)C2)c(OC(F)F)c1 ZINC000186613912 329346377 /nfs/dbraw/zinc/34/63/77/329346377.db2.gz HAYLIFHEZJPGOB-UHFFFAOYSA-N 0 1 297.345 3.673 20 0 CHADMN Cc1ccc(CN(CCC(F)(F)F)CC2CC2)c(C)n1 ZINC000187145874 329353628 /nfs/dbraw/zinc/35/36/28/329353628.db2.gz TUTGPACUQQQJTD-UHFFFAOYSA-N 0 1 286.341 3.863 20 0 CHADMN Cc1ccc(CNC2(c3cccc(F)c3)CC2)c(C)n1 ZINC000187430867 329357664 /nfs/dbraw/zinc/35/76/64/329357664.db2.gz MRZTUMATJJNZJS-UHFFFAOYSA-N 0 1 270.351 3.616 20 0 CHADMN CCc1nn(C)cc1CN[C@H](C)c1csc(Cl)c1 ZINC000230410548 329367685 /nfs/dbraw/zinc/36/76/85/329367685.db2.gz SYEVPSOYEQRZNP-SECBINFHSA-N 0 1 283.828 3.548 20 0 CHADMN CC[C@@H](NCc1ccc(C2CC2)cc1)c1nccn1C ZINC000188721947 329370629 /nfs/dbraw/zinc/37/06/29/329370629.db2.gz ZQOASDBXZLCENJ-MRXNPFEDSA-N 0 1 269.392 3.538 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000188856306 329373874 /nfs/dbraw/zinc/37/38/74/329373874.db2.gz PITGMAQFXZLPCA-LLVKDONJSA-N 0 1 293.773 3.582 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1ccc(F)nc1 ZINC000188997816 329374458 /nfs/dbraw/zinc/37/44/58/329374458.db2.gz DWEIKPDQGATIOO-AWEZNQCLSA-N 0 1 288.366 3.925 20 0 CHADMN Cc1cccc2c1OCC[C@H]2N[C@H](C)c1cccnc1 ZINC000189370291 329380448 /nfs/dbraw/zinc/38/04/48/329380448.db2.gz JBLADTVAWHDASZ-CZUORRHYSA-N 0 1 268.360 3.564 20 0 CHADMN FC(F)C[C@@H]1COCCN1CCCC1CCCCC1 ZINC000583230693 329384854 /nfs/dbraw/zinc/38/48/54/329384854.db2.gz CSZZILYXCWTYRG-CQSZACIVSA-N 0 1 275.383 3.703 20 0 CHADMN CC(C)Cn1ccnc1NCc1ccc(Cl)s1 ZINC000232684496 329391253 /nfs/dbraw/zinc/39/12/53/329391253.db2.gz OXUSWCBUUIWSRF-UHFFFAOYSA-N 0 1 269.801 3.866 20 0 CHADMN CSc1ccc(Cl)cc1NCc1n[nH]c(C2CC2)n1 ZINC000190356884 329395276 /nfs/dbraw/zinc/39/52/76/329395276.db2.gz XTYAWIMJHFSFRF-UHFFFAOYSA-N 0 1 294.811 3.670 20 0 CHADMN CCN(C)c1ccc(CNCc2ccc(Cl)s2)cn1 ZINC000190723858 329399713 /nfs/dbraw/zinc/39/97/13/329399713.db2.gz GTBLDZUHQQHICJ-UHFFFAOYSA-N 0 1 295.839 3.542 20 0 CHADMN C[C@H](NCc1ccno1)c1cccc2ccccc21 ZINC000219364839 329497655 /nfs/dbraw/zinc/49/76/55/329497655.db2.gz LIWHSNPEDVPFIP-LBPRGKRZSA-N 0 1 252.317 3.679 20 0 CHADMN Fc1c(Cl)cccc1CNCc1ccsc1 ZINC000127150750 329597440 /nfs/dbraw/zinc/59/74/40/329597440.db2.gz RLPAZOOOOVVTOT-UHFFFAOYSA-N 0 1 255.745 3.830 20 0 CHADMN Fc1ccccc1CNCc1cc2ccccc2[nH]1 ZINC000058474442 329678810 /nfs/dbraw/zinc/67/88/10/329678810.db2.gz BMRJCZCSUPWHFZ-UHFFFAOYSA-N 0 1 254.308 3.597 20 0 CHADMN CC1(C)C[C@@H]1NCc1nc(-c2ccccc2)cs1 ZINC000061681004 329681175 /nfs/dbraw/zinc/68/11/75/329681175.db2.gz ZWJZBIYUKNQIOU-ZDUSSCGKSA-N 0 1 258.390 3.698 20 0 CHADMN Cc1ccc(CNCc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000237794472 329694839 /nfs/dbraw/zinc/69/48/39/329694839.db2.gz OGMSWUFHUCZHIH-UHFFFAOYSA-N 0 1 277.371 3.675 20 0 CHADMN COc1ncc(CN[C@H](C)c2ccc(C3CC3)cc2)c(C)n1 ZINC000419327986 329716993 /nfs/dbraw/zinc/71/69/93/329716993.db2.gz DHBWQAGCHLBIPA-GFCCVEGCSA-N 0 1 297.402 3.522 20 0 CHADMN CC(C)n1nccc1CN[C@H](CC(F)F)c1ccccc1 ZINC000420990935 329796084 /nfs/dbraw/zinc/79/60/84/329796084.db2.gz HCNSRDPYUWCJFX-OAHLLOKOSA-N 0 1 293.361 3.950 20 0 CHADMN CCOc1ncccc1CNCc1cccc(C2CC2)c1 ZINC000421343310 329814382 /nfs/dbraw/zinc/81/43/82/329814382.db2.gz PVHCOYOXGWFFGR-UHFFFAOYSA-N 0 1 282.387 3.648 20 0 CHADMN FC(F)(F)c1ccnc(CNC2CC3(C2)CCCCC3)n1 ZINC000421386163 329819024 /nfs/dbraw/zinc/81/90/24/329819024.db2.gz RNCTWFXVYGRLQC-UHFFFAOYSA-N 0 1 299.340 3.698 20 0 CHADMN c1c[nH]c(CN[C@@H](CCc2ccccc2)c2ccccc2)n1 ZINC000067695767 329851129 /nfs/dbraw/zinc/85/11/29/329851129.db2.gz RMWVACVTRUMOLI-SFHVURJKSA-N 0 1 291.398 3.873 20 0 CHADMN CC(C)(C)n1cc(CNCc2ccc(Cl)s2)cn1 ZINC000069672871 329854354 /nfs/dbraw/zinc/85/43/54/329854354.db2.gz QSSCRFABBLTILZ-UHFFFAOYSA-N 0 1 283.828 3.643 20 0 CHADMN CCCCO[C@@H]1C[C@@H](N[C@H](C)c2nccs2)C1(C)C ZINC000246497451 329865174 /nfs/dbraw/zinc/86/51/74/329865174.db2.gz SKDKZGIHUPZVQD-JHJVBQTASA-N 0 1 282.453 3.778 20 0 CHADMN COc1ccc(CNC(C)(C)c2nc(C)c(C)s2)cc1 ZINC000076904713 329916397 /nfs/dbraw/zinc/91/63/97/329916397.db2.gz MBTSWISLYAPXNU-UHFFFAOYSA-N 0 1 290.432 3.793 20 0 CHADMN OC[C@@H](N[C@H]1C=CCCCCC1)c1cccc(Cl)c1F ZINC000572166279 329951161 /nfs/dbraw/zinc/95/11/61/329951161.db2.gz IZAYSDRJNQHUIK-SWLSCSKDSA-N 0 1 297.801 3.991 20 0 CHADMN Cc1cc(CNC[C@@H](C)c2ccc(C(F)(F)F)cc2)no1 ZINC000572231413 329958951 /nfs/dbraw/zinc/95/89/51/329958951.db2.gz MLTRHTTWJBKTKE-SNVBAGLBSA-N 0 1 298.308 3.895 20 0 CHADMN CC/C(=C/c1nc(C2(N)CCC2)no1)c1ccc(C)cc1 ZINC000261970194 329992195 /nfs/dbraw/zinc/99/21/95/329992195.db2.gz QGHCVEHKQRVPMA-QBFSEMIESA-N 0 1 283.375 3.667 20 0 CHADMN O=C([O-])c1ccccc1CC[N@@H+](Cc1ccccc1)C1CC1 ZINC000572370063 330009505 /nfs/dbraw/zinc/00/95/05/330009505.db2.gz CMTDETJWTDSCOD-UHFFFAOYSA-N 0 1 295.382 3.592 20 0 CHADMN CC(C)CC[C@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263438967 330055830 /nfs/dbraw/zinc/05/58/30/330055830.db2.gz DAIAFHAAOWTYIW-MRXNPFEDSA-N 0 1 275.392 3.785 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000263454612 330056785 /nfs/dbraw/zinc/05/67/85/330056785.db2.gz HBAZKRPDPMJVMA-OAHLLOKOSA-N 0 1 287.384 3.783 20 0 CHADMN C[N@@H+](Cc1cccc(C(=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000263458443 330056794 /nfs/dbraw/zinc/05/67/94/330056794.db2.gz IBVOLTZWXQYBTP-KRWDZBQOSA-N 0 1 281.355 3.504 20 0 CHADMN CC(C)C[N@@H+](Cc1ccc(C(=O)[O-])cc1)CC(C)(C)C ZINC000263463603 330057032 /nfs/dbraw/zinc/05/70/32/330057032.db2.gz JMYBRJDJFPHUJH-UHFFFAOYSA-N 0 1 277.408 3.889 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263497745 330057954 /nfs/dbraw/zinc/05/79/54/330057954.db2.gz UGQXDFCRRBFWNU-XJKSGUPXSA-N 0 1 275.392 3.785 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccncc2Cl)cc1 ZINC000421806594 330078547 /nfs/dbraw/zinc/07/85/47/330078547.db2.gz ZWFRSAHNKPWRBB-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN C[C@H](NCc1cccc(N(C)C)c1)c1ccncc1Cl ZINC000421825565 330083408 /nfs/dbraw/zinc/08/34/08/330083408.db2.gz OEVZVTARSKHTSQ-LBPRGKRZSA-N 0 1 289.810 3.652 20 0 CHADMN O=C([O-])[C@H]([NH2+]Cc1cccc(C2CC2)c1)c1ccsc1 ZINC000421814825 330085723 /nfs/dbraw/zinc/08/57/23/330085723.db2.gz KUEJQQDNQKQFMG-OAHLLOKOSA-N 0 1 287.384 3.541 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccncc2Cl)c1 ZINC000421817395 330086070 /nfs/dbraw/zinc/08/60/70/330086070.db2.gz UJHKICCYMSNXAG-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN CCC(C)(C)OCCN[C@@H](C)c1ccncc1Cl ZINC000421854688 330088768 /nfs/dbraw/zinc/08/87/68/330088768.db2.gz LGVDAFWMASYLEI-NSHDSACASA-N 0 1 270.804 3.591 20 0 CHADMN COc1cc(Cl)ccc1[C@@H](C)N[C@@H]1CCC[C@@H]1F ZINC000421857590 330089480 /nfs/dbraw/zinc/08/94/80/330089480.db2.gz PJSKFGNLEXKPOM-JIMOISOXSA-N 0 1 271.763 3.890 20 0 CHADMN C[C@@H](Cc1ccc(F)cc1Cl)N[C@@H](C)c1ccon1 ZINC000421843656 330094180 /nfs/dbraw/zinc/09/41/80/330094180.db2.gz RCAWBJQJZHERFJ-UWVGGRQHSA-N 0 1 282.746 3.749 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1cnccc1C ZINC000162682322 330109304 /nfs/dbraw/zinc/10/93/04/330109304.db2.gz OKZLQOYJWSZFOI-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CCc1noc(C)c1C[N@H+](CC)C1CCCCC1 ZINC000162740849 330110750 /nfs/dbraw/zinc/11/07/50/330110750.db2.gz PBWXGBPHOOAZHF-UHFFFAOYSA-N 0 1 250.386 3.700 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CC[C@H](C3CCCC3)C2)c1 ZINC000421943484 330111606 /nfs/dbraw/zinc/11/16/06/330111606.db2.gz DMRCTCVUBZKCRF-AWEZNQCLSA-N 0 1 297.402 3.524 20 0 CHADMN Cc1nnsc1CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000580436075 330133736 /nfs/dbraw/zinc/13/37/36/330133736.db2.gz NKPVKUCQBZDSFQ-HNNXBMFYSA-N 0 1 291.395 3.617 20 0 CHADMN CC[N@@H+](CC(=O)[O-])Cc1ccc(C2CCCCC2)cc1 ZINC000580456590 330141042 /nfs/dbraw/zinc/14/10/42/330141042.db2.gz JEROKVUJCHCCAB-UHFFFAOYSA-N 0 1 275.392 3.641 20 0 CHADMN CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1cccs1 ZINC000298099078 330143434 /nfs/dbraw/zinc/14/34/34/330143434.db2.gz XQIULYIVUBFLIW-OLZOCXBDSA-N 0 1 294.464 3.578 20 0 CHADMN CCC(C)(C)NC(=O)[C@@H](C)N1CCC[C@H]1c1cccs1 ZINC000298099078 330143436 /nfs/dbraw/zinc/14/34/36/330143436.db2.gz XQIULYIVUBFLIW-OLZOCXBDSA-N 0 1 294.464 3.578 20 0 CHADMN C[C@H](N[C@H]1CC(C)(C)Oc2ccc(N)cc21)c1cccnc1 ZINC000423441689 330201771 /nfs/dbraw/zinc/20/17/71/330201771.db2.gz PNRVRGAHIIGBGY-LRDDRELGSA-N 0 1 297.402 3.617 20 0 CHADMN C[C@@H](C1CCCCC1)N(C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000433198992 330207635 /nfs/dbraw/zinc/20/76/35/330207635.db2.gz ARUFGLHIZGEHOG-LBPRGKRZSA-N 0 1 278.444 3.503 20 0 CHADMN CCC(CC)[C@H](CCN[C@H](C)c1cscn1)OC ZINC000536833173 330229596 /nfs/dbraw/zinc/22/95/96/330229596.db2.gz NAJLLTYGKTUTDK-RISCZKNCSA-N 0 1 270.442 3.635 20 0 CHADMN CC1CCC(OC2CCN(CC3(F)CC3)CC2)CC1 ZINC000527219700 330237621 /nfs/dbraw/zinc/23/76/21/330237621.db2.gz XDMFZLLBEIFAEA-UHFFFAOYSA-N 0 1 269.404 3.548 20 0 CHADMN C[C@]1(O)CCCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000527239645 330240949 /nfs/dbraw/zinc/24/09/49/330240949.db2.gz YYMJTTMZMUMUEM-AWEZNQCLSA-N 0 1 288.218 3.730 20 0 CHADMN C[C@H]1C[C@H](C)N1Cc1c(Cl)ccc2cccnc21 ZINC000548425816 330241579 /nfs/dbraw/zinc/24/15/79/330241579.db2.gz COTQKZSULPUHPI-QWRGUYRKSA-N 0 1 260.768 3.871 20 0 CHADMN CC(C)CCc1nc(CN[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cs1 ZINC000528756049 330252590 /nfs/dbraw/zinc/25/25/90/330252590.db2.gz MNVUNLPCBHZFDQ-QCQGSNGOSA-N 0 1 296.480 3.633 20 0 CHADMN CC(C)CCc1nc(CN[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cs1 ZINC000528756050 330252631 /nfs/dbraw/zinc/25/26/31/330252631.db2.gz MNVUNLPCBHZFDQ-ZWUHOBOKSA-N 0 1 296.480 3.633 20 0 CHADMN FC1(CN(Cc2cccc(Br)c2)C2CC2)CC1 ZINC000527510015 330254818 /nfs/dbraw/zinc/25/48/18/330254818.db2.gz WDQSFDDVSQDHND-UHFFFAOYSA-N 0 1 298.199 3.916 20 0 CHADMN C[C@H]1SCCN(CC2(F)CC2)[C@H]1c1ccccc1 ZINC000527510720 330255352 /nfs/dbraw/zinc/25/53/52/330255352.db2.gz OJEOXJSEWJJNCO-TZMCWYRMSA-N 0 1 265.397 3.667 20 0 CHADMN Cc1cc(CN2[C@H](C)C[C@@H]2C)c(OC(F)F)cc1C ZINC000527529472 330257985 /nfs/dbraw/zinc/25/79/85/330257985.db2.gz RMDFLDSPFQMHBZ-TXEJJXNPSA-N 0 1 269.335 3.888 20 0 CHADMN Cc1cc(CNC2(c3ccc(Cl)cc3)CC2)ccn1 ZINC000527540158 330260985 /nfs/dbraw/zinc/26/09/85/330260985.db2.gz UQTWSBDYGOALFW-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN C[C@@H](N[C@@H](C)[C@@H]1C[C@H]1C1CC1)c1noc(-c2ccccc2)n1 ZINC000527678159 330270496 /nfs/dbraw/zinc/27/04/96/330270496.db2.gz UCPOXJRTDZSOEP-VZAMPYOESA-N 0 1 297.402 3.822 20 0 CHADMN C[C@H]1Cc2ccccc2[C@H]1NCc1ccncc1Cl ZINC000527659405 330273486 /nfs/dbraw/zinc/27/34/86/330273486.db2.gz REIFGQZOESKVCE-ZBEGNZNMSA-N 0 1 272.779 3.758 20 0 CHADMN COCc1ccc(CNCc2ccccc2CC(C)C)o1 ZINC000527732783 330278294 /nfs/dbraw/zinc/27/82/94/330278294.db2.gz MDNMBQWGDFSFGT-UHFFFAOYSA-N 0 1 287.403 3.914 20 0 CHADMN COc1cccc(CN[C@H](c2ccccn2)C2CCC2)c1 ZINC000527773095 330282228 /nfs/dbraw/zinc/28/22/28/330282228.db2.gz OUQHPHAZSAFWPT-SFHVURJKSA-N 0 1 282.387 3.721 20 0 CHADMN CC[C@H](NCc1nc(C)c(C)[nH]1)c1cc(C)ccc1C ZINC000527817926 330282765 /nfs/dbraw/zinc/28/27/65/330282765.db2.gz DYFDXQWQTUOMOV-INIZCTEOSA-N 0 1 271.408 3.884 20 0 CHADMN C[C@H](NCCc1ccco1)c1cc(-c2ccccc2)n(C)n1 ZINC000527850681 330288265 /nfs/dbraw/zinc/28/82/65/330288265.db2.gz YBFQZFYPKJXXSE-AWEZNQCLSA-N 0 1 295.386 3.573 20 0 CHADMN Cc1nnsc1CN[C@@H](C)c1cccc(C(C)C)c1 ZINC000527902341 330293565 /nfs/dbraw/zinc/29/35/65/330293565.db2.gz OHSVYBMUVDSUJZ-NSHDSACASA-N 0 1 275.421 3.821 20 0 CHADMN COCCC1CCN([C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000527936978 330293662 /nfs/dbraw/zinc/29/36/62/330293662.db2.gz SXSYZZPJPJZJOV-GFCCVEGCSA-N 0 1 283.362 3.774 20 0 CHADMN C[C@H](N[C@H](c1ccccn1)C1CCC1)c1cncs1 ZINC000527961940 330300703 /nfs/dbraw/zinc/30/07/03/330300703.db2.gz CJVMKYMOVNGVHW-NHYWBVRUSA-N 0 1 273.405 3.730 20 0 CHADMN CCO[C@H]1C[C@H](N[C@@H](C)c2ncccc2F)C1(CC)CC ZINC000528036621 330302871 /nfs/dbraw/zinc/30/28/71/330302871.db2.gz VGHVZZIXQLDXSS-QEJZJMRPSA-N 0 1 294.414 3.855 20 0 CHADMN COc1ccc([C@H](N[C@H](C)c2ccc(C)o2)C2CC2)cn1 ZINC000528042688 330305893 /nfs/dbraw/zinc/30/58/93/330305893.db2.gz HATAVWXOVPSQRB-SJKOYZFVSA-N 0 1 286.375 3.794 20 0 CHADMN FC(F)(F)c1cnc(CNC[C@@H]2C[C@H]2C2CCC2)s1 ZINC000424174022 330314157 /nfs/dbraw/zinc/31/41/57/330314157.db2.gz NWEKWOZAKFBDMQ-UWVGGRQHSA-N 0 1 290.354 3.688 20 0 CHADMN CC[C@@H](NCc1cc(C)ccn1)c1ccc(F)cc1 ZINC000328117911 330315136 /nfs/dbraw/zinc/31/51/36/330315136.db2.gz PWMVIQQXYZJOEY-MRXNPFEDSA-N 0 1 258.340 3.770 20 0 CHADMN CCCN(Cc1ccccc1)Cc1cc(CO)ccc1F ZINC000528337653 330319468 /nfs/dbraw/zinc/31/94/68/330319468.db2.gz JUJNWWBNQFCLLC-UHFFFAOYSA-N 0 1 287.378 3.730 20 0 CHADMN OCc1ccc(F)c(CN2CCC[C@@H]2c2cccs2)c1 ZINC000528342478 330319688 /nfs/dbraw/zinc/31/96/88/330319688.db2.gz ZURGUWYVTZFTBD-OAHLLOKOSA-N 0 1 291.391 3.717 20 0 CHADMN CCc1ccc(CN(C)Cc2cc(CO)ccc2F)cc1 ZINC000528344080 330320651 /nfs/dbraw/zinc/32/06/51/330320651.db2.gz GNHUNELJJGFEFF-UHFFFAOYSA-N 0 1 287.378 3.512 20 0 CHADMN CC(C)N(Cc1ccccc1)Cc1cc(CO)ccc1F ZINC000528349278 330321333 /nfs/dbraw/zinc/32/13/33/330321333.db2.gz NNNOVDYIXXJPKU-UHFFFAOYSA-N 0 1 287.378 3.729 20 0 CHADMN CC(C)n1cncc1CNCc1ccc(C2CC2)cc1 ZINC000424190198 330322914 /nfs/dbraw/zinc/32/29/14/330322914.db2.gz MBWUBISRZXBEAL-UHFFFAOYSA-N 0 1 269.392 3.631 20 0 CHADMN CC(C)n1cncc1CN[C@@H]1CCCc2ccc(F)cc21 ZINC000424192923 330324031 /nfs/dbraw/zinc/32/40/31/330324031.db2.gz QDEYMYSZNNHSRK-QGZVFWFLSA-N 0 1 287.382 3.770 20 0 CHADMN CCC[C@@H]1CCCN(Cc2nc(C)c3ccccc3n2)C1 ZINC000533023689 330324634 /nfs/dbraw/zinc/32/46/34/330324634.db2.gz YZSZXWUXXPGHCC-OAHLLOKOSA-N 0 1 283.419 3.950 20 0 CHADMN COCc1ccc(CN[C@@H]2C[C@]2(F)c2ccccc2)cc1 ZINC000424209140 330328173 /nfs/dbraw/zinc/32/81/73/330328173.db2.gz ZEFOKNPFWFKKDY-MSOLQXFVSA-N 0 1 285.362 3.560 20 0 CHADMN CCOC[C@@H](C)NCc1c(Cl)cccc1Cl ZINC000044689623 330332042 /nfs/dbraw/zinc/33/20/42/330332042.db2.gz WORONCFULZQWDV-SECBINFHSA-N 0 1 262.180 3.508 20 0 CHADMN CSc1ccccc1C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000424250254 330332057 /nfs/dbraw/zinc/33/20/57/330332057.db2.gz BFWNYWWIJKGXFY-AWEZNQCLSA-N 0 1 293.432 3.628 20 0 CHADMN CCc1ccc(CC[N@H+]2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000424267337 330332454 /nfs/dbraw/zinc/33/24/54/330332454.db2.gz XYPVQDYMWLFWDA-QGZVFWFLSA-N 0 1 289.419 3.511 20 0 CHADMN CCCN(Cc1nc2ccccc2o1)C[C@@H]1CCCCO1 ZINC000106867572 330341423 /nfs/dbraw/zinc/34/14/23/330341423.db2.gz LPYNFNOWBQTUDO-AWEZNQCLSA-N 0 1 288.391 3.609 20 0 CHADMN Cc1ccc(/C=C\c2nc(C3(N)CCCCC3)no2)cc1 ZINC000424340089 330343902 /nfs/dbraw/zinc/34/39/02/330343902.db2.gz ROSVKNAIUCGHTP-KTKRTIGZSA-N 0 1 283.375 3.667 20 0 CHADMN C[C@H]1[C@@H](c2nc(C3(N)CCCCC3)no2)[C@@H]1c1ccccc1 ZINC000424339314 330343936 /nfs/dbraw/zinc/34/39/36/330343936.db2.gz CLWFQMAEPSKDEM-VHDGCEQUSA-N 0 1 297.402 3.705 20 0 CHADMN COC(=O)c1ccc([C@H](C)N2CCCc3ccccc3C2)o1 ZINC000106886860 330344343 /nfs/dbraw/zinc/34/43/43/330344343.db2.gz ALVBAUIFTUVJKA-ZDUSSCGKSA-N 0 1 299.370 3.576 20 0 CHADMN COc1ccc([C@@H](C)NCc2cnccc2C)c(Cl)c1 ZINC000424359776 330346746 /nfs/dbraw/zinc/34/67/46/330346746.db2.gz YQDXFEKBNPBDFO-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CCCCN(CC(=O)Nc1ccc(F)cc1Cl)C1CC1 ZINC000533242171 330353989 /nfs/dbraw/zinc/35/39/89/330353989.db2.gz WOTUHQQIHKZJTB-UHFFFAOYSA-N 0 1 298.789 3.682 20 0 CHADMN C[C@H](N(C)Cc1nccn1Cc1ccccc1)C(C)(C)C ZINC000533249848 330355103 /nfs/dbraw/zinc/35/51/03/330355103.db2.gz AWGZYTDFFGFAMF-HNNXBMFYSA-N 0 1 285.435 3.798 20 0 CHADMN CC[C@@H](C)CN(C)CC(=O)Nc1cccc2ccccc21 ZINC000533286413 330355881 /nfs/dbraw/zinc/35/58/81/330355881.db2.gz SJQFCLKOYMFXQG-CQSZACIVSA-N 0 1 284.403 3.756 20 0 CHADMN Fc1cccc(CN[C@@H]2CSc3ccccc32)c1 ZINC000083748726 330359188 /nfs/dbraw/zinc/35/91/88/330359188.db2.gz HJKROAHXLRSPHM-CQSZACIVSA-N 0 1 259.349 3.762 20 0 CHADMN C[C@H](NCc1ccncc1Cl)c1cccs1 ZINC000084084773 330360910 /nfs/dbraw/zinc/36/09/10/330360910.db2.gz BRZLSEGWIJAFTI-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN CC(C)CSCCCSc1nc(C2CC2)n[nH]1 ZINC000119072508 330369867 /nfs/dbraw/zinc/36/98/67/330369867.db2.gz YYSXZCNVWGCICB-UHFFFAOYSA-N 0 1 271.455 3.554 20 0 CHADMN CC(C)CSCCCSc1n[nH]c(C2CC2)n1 ZINC000119072508 330369868 /nfs/dbraw/zinc/36/98/68/330369868.db2.gz YYSXZCNVWGCICB-UHFFFAOYSA-N 0 1 271.455 3.554 20 0 CHADMN C[C@H](NCc1ccoc1)c1cccc(Br)c1 ZINC000062103509 330387137 /nfs/dbraw/zinc/38/71/37/330387137.db2.gz OEVJAPUBNUJNLD-JTQLQIEISA-N 0 1 280.165 3.893 20 0 CHADMN C[C@H](NCC1(c2ccc(F)cc2F)CC1)c1nccs1 ZINC000090919166 330397180 /nfs/dbraw/zinc/39/71/80/330397180.db2.gz IBVVIDVZOYMLGM-JTQLQIEISA-N 0 1 294.370 3.804 20 0 CHADMN CCOc1ncccc1CN[C@H](c1ccccc1)C1CC1 ZINC000091283866 330399660 /nfs/dbraw/zinc/39/96/60/330399660.db2.gz IPYRNTRUIZJERS-QGZVFWFLSA-N 0 1 282.387 3.721 20 0 CHADMN CC(C)Cn1ccnc1CN[C@H](c1ccccc1)C1CC1 ZINC000091346734 330400416 /nfs/dbraw/zinc/40/04/16/330400416.db2.gz XOPUVODEKZZWSP-GOSISDBHSA-N 0 1 283.419 3.780 20 0 CHADMN Cn1ncc2ccc(CNCc3cc4ccccc4o3)cc21 ZINC000516223529 330489562 /nfs/dbraw/zinc/48/95/62/330489562.db2.gz RLUQIAVFFKSPCY-UHFFFAOYSA-N 0 1 291.354 3.609 20 0 CHADMN Fc1ccc(-n2ccc(CN(C3CCC3)C3CCC3)n2)cc1 ZINC000429121744 330538719 /nfs/dbraw/zinc/53/87/19/330538719.db2.gz HYRLTIDACUPZKT-UHFFFAOYSA-N 0 1 299.393 3.918 20 0 CHADMN Cc1cccc(-c2noc(CN(C3CCC3)C3CCC3)n2)c1 ZINC000429184167 330539717 /nfs/dbraw/zinc/53/97/17/330539717.db2.gz SFFNZJONXHWRQK-UHFFFAOYSA-N 0 1 297.402 3.952 20 0 CHADMN COc1ccccc1-n1nccc1CN1CCC(C)(C)CC1 ZINC000430733174 330571857 /nfs/dbraw/zinc/57/18/57/330571857.db2.gz IPWXWEGNJXQVFU-UHFFFAOYSA-N 0 1 299.418 3.503 20 0 CHADMN CCc1ccccc1CNCc1ccc(-c2cc[nH]n2)o1 ZINC000433335879 330626452 /nfs/dbraw/zinc/62/64/52/330626452.db2.gz RGCTWGBQCQYIQJ-UHFFFAOYSA-N 0 1 281.359 3.522 20 0 CHADMN CCOC(C)(C)CNCc1csc(-c2ccccc2)n1 ZINC000436408603 330676933 /nfs/dbraw/zinc/67/69/33/330676933.db2.gz JBXBMMMCJFDQFT-UHFFFAOYSA-N 0 1 290.432 3.715 20 0 CHADMN Cc1ccc(COc2ccc(CNCCF)cc2)cc1 ZINC000437244425 330695932 /nfs/dbraw/zinc/69/59/32/330695932.db2.gz GIIKRMGIDAQUIM-UHFFFAOYSA-N 0 1 273.351 3.633 20 0 CHADMN CCCc1noc(CN[C@@H]2CCCC[C@@H]2C(C)(C)C)n1 ZINC000440049329 330745858 /nfs/dbraw/zinc/74/58/58/330745858.db2.gz FYMUOCZYIJTNPT-QWHCGFSZSA-N 0 1 279.428 3.717 20 0 CHADMN C=Cn1cc(CN[C@@H](C)c2cccc(OC(C)C)c2)cn1 ZINC000194346687 330841844 /nfs/dbraw/zinc/84/18/44/330841844.db2.gz AOLGYLQVYRRUMQ-AWEZNQCLSA-N 0 1 285.391 3.622 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](CO)c2sccc2C)c(C)o1 ZINC000447589548 330872019 /nfs/dbraw/zinc/87/20/19/330872019.db2.gz YDCFNEIZTHYKMJ-FZMZJTMJSA-N 0 1 279.405 3.651 20 0 CHADMN COc1ccc2cc([C@H](C)NCc3cc(C)no3)ccc2c1 ZINC000194528919 330873548 /nfs/dbraw/zinc/87/35/48/330873548.db2.gz ICFNUKTWCQDBIQ-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN CC[C@H](NCc1ccncc1F)c1ccc(C)cc1 ZINC000449063195 330896417 /nfs/dbraw/zinc/89/64/17/330896417.db2.gz LSQUBQSMUPVMTL-INIZCTEOSA-N 0 1 258.340 3.770 20 0 CHADMN CCCOc1ccc(CNCc2cc3cccnc3o2)cc1 ZINC000449088550 330898303 /nfs/dbraw/zinc/89/83/03/330898303.db2.gz HYVXAUSHRBBYDE-UHFFFAOYSA-N 0 1 296.370 3.906 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccnn2C2CCCC2)cc1 ZINC000449107094 330899493 /nfs/dbraw/zinc/89/94/93/330899493.db2.gz OCUBDHLQPJSVSW-CQSZACIVSA-N 0 1 299.418 3.858 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1ccnn1C1CCCC1 ZINC000449206512 330906131 /nfs/dbraw/zinc/90/61/31/330906131.db2.gz PXANUTGYFDQQGP-AWEZNQCLSA-N 0 1 298.434 3.806 20 0 CHADMN FCC(CF)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449377670 330920601 /nfs/dbraw/zinc/92/06/01/330920601.db2.gz BGSLKZSBGDPOSD-YPMHNXCESA-N 0 1 273.754 3.873 20 0 CHADMN CCC[C@H](CNCc1csc(-c2ccccc2)n1)OC ZINC000449378056 330920724 /nfs/dbraw/zinc/92/07/24/330920724.db2.gz VIAKXUMPIZWICB-OAHLLOKOSA-N 0 1 290.432 3.715 20 0 CHADMN Cc1ccccc1CNCc1cccc(C(F)(F)F)n1 ZINC000449399989 330922442 /nfs/dbraw/zinc/92/24/42/330922442.db2.gz GJNYRZGLXWRUSM-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN FCC1CCN(Cc2cnc(C3CCCC3)s2)CC1 ZINC000449461366 330927551 /nfs/dbraw/zinc/92/75/51/330927551.db2.gz SQAPXKPFRRLRTB-UHFFFAOYSA-N 0 1 282.428 3.982 20 0 CHADMN Cc1ccc(CN2CC(c3ccc(Cl)cc3)C2)o1 ZINC000449558589 330936549 /nfs/dbraw/zinc/93/65/49/330936549.db2.gz YGZBKOWLSHDFMO-UHFFFAOYSA-N 0 1 261.752 3.841 20 0 CHADMN CCCc1ncc(CNCCSCc2ccccc2)o1 ZINC000449614600 330940128 /nfs/dbraw/zinc/94/01/28/330940128.db2.gz WCBRQJGUZLNULJ-UHFFFAOYSA-N 0 1 290.432 3.650 20 0 CHADMN CC(C)CCCC(=O)Nc1cccc(Cl)c1O ZINC000449856633 330952266 /nfs/dbraw/zinc/95/22/66/330952266.db2.gz OROKPPBYMMLNEB-UHFFFAOYSA-N 0 1 255.745 3.810 20 0 CHADMN CCC[C@@H](CC(C)C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000450046388 330959665 /nfs/dbraw/zinc/95/96/65/330959665.db2.gz RSSQGAVKDKGTEV-HNNXBMFYSA-N 0 1 291.439 3.544 20 0 CHADMN C[C@@H](NCc1cccnc1N)c1ccccc1C(F)(F)F ZINC000450681880 330993348 /nfs/dbraw/zinc/99/33/48/330993348.db2.gz OOSRYZUWNLTFCP-SNVBAGLBSA-N 0 1 295.308 3.533 20 0 CHADMN C[C@@H](NCc1nnc(C2CC2)s1)[C@@H](C)c1ccccc1 ZINC000450690606 330994009 /nfs/dbraw/zinc/99/40/09/330994009.db2.gz VSQLBNYCVBWKRX-VXGBXAGGSA-N 0 1 287.432 3.697 20 0 CHADMN CO[C@@H]1CCN(c2cc(C)nc3ccc(F)cc32)C[C@H]1C ZINC000450764629 330998781 /nfs/dbraw/zinc/99/87/81/330998781.db2.gz RAXFJYAKZQVDFV-PIGZYNQJSA-N 0 1 288.366 3.544 20 0 CHADMN COc1cc(CN2CCSCC[C@H]2C)ccc1Cl ZINC000450838005 331001992 /nfs/dbraw/zinc/00/19/92/331001992.db2.gz NXGPLDDOOGIFLL-LLVKDONJSA-N 0 1 285.840 3.676 20 0 CHADMN CCO[C@@H]1CCC[C@H]1Nc1ccnc2cc(F)ccc21 ZINC000450936701 331008033 /nfs/dbraw/zinc/00/80/33/331008033.db2.gz HWHZIHWBPSXKSF-GDBMZVCRSA-N 0 1 274.339 3.743 20 0 CHADMN Cc1ccc(F)c(CN2CCC=C(c3cccnc3)C2)c1 ZINC000451024027 331012277 /nfs/dbraw/zinc/01/22/77/331012277.db2.gz GZJLYABFADPNJK-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN CC(C)c1nc([C@H]2CCCCN2CC2CC(F)(F)C2)n[nH]1 ZINC000451039343 331013023 /nfs/dbraw/zinc/01/30/23/331013023.db2.gz CTSPVIVRTLFKSZ-GFCCVEGCSA-N 0 1 298.381 3.500 20 0 CHADMN Cc1nc2ccc(CSC3(CO)CCCCC3)cc2[nH]1 ZINC000451052681 331013681 /nfs/dbraw/zinc/01/36/81/331013681.db2.gz AVIKISQUGUQQEX-UHFFFAOYSA-N 0 1 290.432 3.800 20 0 CHADMN CC(C)(NCC1CC(F)(F)C1)c1cc(C(F)(F)F)on1 ZINC000451062809 331014284 /nfs/dbraw/zinc/01/42/84/331014284.db2.gz ODJCJIQBYSKZKP-UHFFFAOYSA-N 0 1 298.255 3.563 20 0 CHADMN CC(C)c1nnc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)s1 ZINC000451073496 331014956 /nfs/dbraw/zinc/01/49/56/331014956.db2.gz KPRJUJGRPSSZKY-NEPJUHHUSA-N 0 1 279.453 3.672 20 0 CHADMN COc1cc(CN2CCCO[C@@H](C(C)C)C2)ccc1Cl ZINC000451076178 331015137 /nfs/dbraw/zinc/01/51/37/331015137.db2.gz FTGJOAGSMQVJTK-MRXNPFEDSA-N 0 1 297.826 3.596 20 0 CHADMN C[C@@]1(F)CCCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC000451115961 331016150 /nfs/dbraw/zinc/01/61/50/331016150.db2.gz QCTCFUXNPPDLJM-HUUCEWRRSA-N 0 1 251.320 3.637 20 0 CHADMN CC[C@@H](CC(C)C)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000451224390 331021104 /nfs/dbraw/zinc/02/11/04/331021104.db2.gz DCNHBYVXKGRDOT-ZDUSSCGKSA-N 0 1 293.455 3.738 20 0 CHADMN CCC1(NCc2nnc(Cc3ccccc3C)o2)CCCC1 ZINC000451275411 331022831 /nfs/dbraw/zinc/02/28/31/331022831.db2.gz MNFJJVNNEYCXQE-UHFFFAOYSA-N 0 1 299.418 3.781 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@]1(C)CCC[C@H]1C ZINC000451335804 331024877 /nfs/dbraw/zinc/02/48/77/331024877.db2.gz DMBBNHKPUCSLRI-BZNIZROVSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@]1(C)CCC[C@@H]1C ZINC000451335806 331024881 /nfs/dbraw/zinc/02/48/81/331024881.db2.gz DMBBNHKPUCSLRI-MEDUHNTESA-N 0 1 271.364 3.636 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC(CF)CC1 ZINC000451387758 331026819 /nfs/dbraw/zinc/02/68/19/331026819.db2.gz FXHMHZZHRIZWBK-JTQLQIEISA-N 0 1 257.299 3.707 20 0 CHADMN CCCCc1noc(CN[C@@H](CCC)C(C)(C)C)n1 ZINC000451428158 331029153 /nfs/dbraw/zinc/02/91/53/331029153.db2.gz XRSAMHPVVVFNGC-LBPRGKRZSA-N 0 1 267.417 3.717 20 0 CHADMN CCO[C@@H]1CCN([C@H](C)c2c(F)cccc2F)C[C@@H]1C ZINC000451542627 331033298 /nfs/dbraw/zinc/03/32/98/331033298.db2.gz NUFIDVLWIVAEMJ-YWPYICTPSA-N 0 1 283.362 3.773 20 0 CHADMN CO[C@H]1CCN([C@H](C)c2cc(F)ccc2F)CC1(C)C ZINC000451546269 331033421 /nfs/dbraw/zinc/03/34/21/331033421.db2.gz BFJGIEKGLRZUPH-ABAIWWIYSA-N 0 1 283.362 3.773 20 0 CHADMN CCO[C@@H]1CCN(Cc2ccc(Cl)cc2OC)C[C@H]1C ZINC000451551864 331033866 /nfs/dbraw/zinc/03/38/66/331033866.db2.gz YCXOBSGDPSZBSO-IUODEOHRSA-N 0 1 297.826 3.596 20 0 CHADMN CN(Cc1nc(C(C)(C)C)cs1)[C@H](CO)CC(C)(C)C ZINC000451787436 331042013 /nfs/dbraw/zinc/04/20/13/331042013.db2.gz XVCMBAMXEFJAJU-LBPRGKRZSA-N 0 1 298.496 3.670 20 0 CHADMN CC1(C)COC[C@H]1NCc1nc(C2CCCCC2)cs1 ZINC000451815760 331043570 /nfs/dbraw/zinc/04/35/70/331043570.db2.gz XFUQVBUAKCJRAY-CQSZACIVSA-N 0 1 294.464 3.705 20 0 CHADMN O[C@@H](CC1CCCC1)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451859339 331045126 /nfs/dbraw/zinc/04/51/26/331045126.db2.gz SRDDGCOVDSKVLX-RDJZCZTQSA-N 0 1 289.419 3.748 20 0 CHADMN Cc1nc(CCN2CC3(CCC3)[C@@H]2c2ccco2)cs1 ZINC000451868149 331045467 /nfs/dbraw/zinc/04/54/67/331045467.db2.gz ZMLRXZMVMRDTIT-HNNXBMFYSA-N 0 1 288.416 3.814 20 0 CHADMN CCO[C@@H]1CCC[C@H]1NCc1csc(CCC(C)C)n1 ZINC000452024270 331050731 /nfs/dbraw/zinc/05/07/31/331050731.db2.gz RGDBYSUJLWSTGM-HUUCEWRRSA-N 0 1 296.480 3.779 20 0 CHADMN Cc1cncc(CN(C)Cc2ccc(C)c(C)c2)c1 ZINC000452050354 331052081 /nfs/dbraw/zinc/05/20/81/331052081.db2.gz VZHLSRRJIASXJI-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN C[C@H](NCc1nc(C(C)(C)C)no1)[C@@H]1CCC[C@@H](C)C1 ZINC000452072041 331052929 /nfs/dbraw/zinc/05/29/29/331052929.db2.gz RYTMELBCQVFZEK-FRRDWIJNSA-N 0 1 279.428 3.672 20 0 CHADMN C[C@@H](N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1nc(C2CC2)no1 ZINC000452075998 331053056 /nfs/dbraw/zinc/05/30/56/331053056.db2.gz YKQBDUANRMVOMW-GFQSEFKGSA-N 0 1 277.412 3.812 20 0 CHADMN COC[C@H]1CCCN(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000452095708 331054027 /nfs/dbraw/zinc/05/40/27/331054027.db2.gz XPQDVEKGWRZQJA-ZDUSSCGKSA-N 0 1 296.480 3.689 20 0 CHADMN CCC[C@H](O)CN[C@@H](C)c1cc(Cl)sc1Cl ZINC000163596213 331060485 /nfs/dbraw/zinc/06/04/85/331060485.db2.gz LMKLYHDAVGDYQB-YUMQZZPRSA-N 0 1 282.236 3.867 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@]3(C)CC=CCC3)[nH]c2c1 ZINC000452316753 331062153 /nfs/dbraw/zinc/06/21/53/331062153.db2.gz BZJZOQHZASECGX-MRXNPFEDSA-N 0 1 269.348 3.556 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H](c1cccs1)C1CC1 ZINC000453065039 331085899 /nfs/dbraw/zinc/08/58/99/331085899.db2.gz HNEJLWOVCCZVHD-BXUZGUMPSA-N 0 1 275.421 3.766 20 0 CHADMN C[C@@H](NCCOc1ccc(C(C)(C)C)cc1)c1ccncn1 ZINC000453071396 331086551 /nfs/dbraw/zinc/08/65/51/331086551.db2.gz HGDSLOZKJJFRDO-CQSZACIVSA-N 0 1 299.418 3.504 20 0 CHADMN C[C@@H]1C[C@@H](N[C@@H]2CCCCc3ccccc32)c2nccn21 ZINC000453083720 331087514 /nfs/dbraw/zinc/08/75/14/331087514.db2.gz FERRZEIFAGILBR-KBRIMQKVSA-N 0 1 281.403 3.946 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccncn2)cc1C ZINC000453085392 331087722 /nfs/dbraw/zinc/08/77/22/331087722.db2.gz KAYVBFVOBQZKTA-ZIAGYGMSSA-N 0 1 255.365 3.505 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccncn1)c1ccc(Cl)s1 ZINC000453132637 331092553 /nfs/dbraw/zinc/09/25/53/331092553.db2.gz WNCZNNHGMBJJDK-NXEZZACHSA-N 0 1 281.812 3.993 20 0 CHADMN CC[C@H](N[C@H](COC)c1ccccc1)c1ccncc1 ZINC000453138196 331093122 /nfs/dbraw/zinc/09/31/22/331093122.db2.gz IWXYHVDXTQZETN-DLBZAZTESA-N 0 1 270.376 3.510 20 0 CHADMN Fc1cccc([C@@H](N[C@@H]2CCn3ccnc32)C2CCCC2)c1 ZINC000453137698 331093161 /nfs/dbraw/zinc/09/31/61/331093161.db2.gz LAOIIVCVAXIDES-SJORKVTESA-N 0 1 299.393 3.988 20 0 CHADMN Cn1ccnc1[C@H](NCC1(C)CC1)c1ccc(Cl)cc1 ZINC000453155271 331095039 /nfs/dbraw/zinc/09/50/39/331095039.db2.gz SXUCLKYFXIVLPW-CQSZACIVSA-N 0 1 289.810 3.553 20 0 CHADMN Cc1c(C)c(C)c(CN[C@@H](C)c2ccncn2)c(C)c1C ZINC000453170802 331096814 /nfs/dbraw/zinc/09/68/14/331096814.db2.gz LVOFYYZBELTWHN-INIZCTEOSA-N 0 1 283.419 3.870 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H](CC(F)(F)F)C(C)C ZINC000453213985 331102226 /nfs/dbraw/zinc/10/22/26/331102226.db2.gz HNIMAFACLFXKMC-GHMZBOCLSA-N 0 1 277.334 3.531 20 0 CHADMN CC[C@@H](N[C@@H](C)[C@@H]1C[C@H]1c1ccccc1)C(F)F ZINC000453254143 331107986 /nfs/dbraw/zinc/10/79/86/331107986.db2.gz XTWZHYFSCKYLSW-DOERSZECSA-N 0 1 253.336 3.812 20 0 CHADMN COC[C@@H](NCc1ccnc(C)c1)c1ccc(Cl)cc1 ZINC000453294716 331112333 /nfs/dbraw/zinc/11/23/33/331112333.db2.gz QSXLKKQXCUFNES-MRXNPFEDSA-N 0 1 290.794 3.521 20 0 CHADMN CC[C@H](NCc1cnccc1C)c1cc(C)ccc1OC ZINC000453336036 331118442 /nfs/dbraw/zinc/11/84/42/331118442.db2.gz YPHIBYLELMBEAE-KRWDZBQOSA-N 0 1 284.403 3.948 20 0 CHADMN CCCc1ncc(CN[C@H](CC)c2cccc(OC)c2)o1 ZINC000453350597 331120753 /nfs/dbraw/zinc/12/07/53/331120753.db2.gz BTASEISVMQFJEG-MRXNPFEDSA-N 0 1 288.391 3.877 20 0 CHADMN CCc1ncc(CN[C@@H]2C[C@H](C)c3ccccc32)o1 ZINC000453368728 331123805 /nfs/dbraw/zinc/12/38/05/331123805.db2.gz HTDPVNVVNPIJBV-XHDPSFHLSA-N 0 1 256.349 3.575 20 0 CHADMN C[C@H](c1cc(F)c(F)c(F)c1)N1CCC[C@]2(CCOC2)C1 ZINC000453371021 331124102 /nfs/dbraw/zinc/12/41/02/331124102.db2.gz NPQBSMMYIKWFEH-BZNIZROVSA-N 0 1 299.336 3.667 20 0 CHADMN CO[C@@H]([C@@H](C)N[C@H](C)c1csc(C(C)C)n1)C1CC1 ZINC000453378319 331125050 /nfs/dbraw/zinc/12/50/50/331125050.db2.gz QKDBUPXDXQMCBP-GYSYKLTISA-N 0 1 282.453 3.731 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1cnc(C2CC2)o1 ZINC000453377459 331125063 /nfs/dbraw/zinc/12/50/63/331125063.db2.gz XLVASBOKAWLPCH-GFCCVEGCSA-N 0 1 256.349 3.711 20 0 CHADMN COc1cccnc1CN[C@H]1CC[C@H](C)c2ccccc21 ZINC000453380607 331125761 /nfs/dbraw/zinc/12/57/61/331125761.db2.gz XQJCDXYOAGDSPF-BBRMVZONSA-N 0 1 282.387 3.818 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1cnc(C)cc1C ZINC000453383561 331126278 /nfs/dbraw/zinc/12/62/78/331126278.db2.gz ZBKILNJCQTYJAT-CQSZACIVSA-N 0 1 269.392 3.507 20 0 CHADMN C[C@@H](c1cccc(F)c1F)N1CCC[C@@]2(CCOC2)C1 ZINC000453384769 331126358 /nfs/dbraw/zinc/12/63/58/331126358.db2.gz UEDYXOGLVSTUMN-BLLLJJGKSA-N 0 1 281.346 3.528 20 0 CHADMN CCCc1ncc(CN[C@H](C)c2cccs2)o1 ZINC000453389897 331127153 /nfs/dbraw/zinc/12/71/53/331127153.db2.gz PTJJRMQBOAFEGQ-SNVBAGLBSA-N 0 1 250.367 3.539 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2cccc(C)c2C)o1 ZINC000453401236 331128657 /nfs/dbraw/zinc/12/86/57/331128657.db2.gz ZANWYHHACGTCJF-ZDUSSCGKSA-N 0 1 258.365 3.705 20 0 CHADMN C[C@@H](CC(C)(C)C)N[C@H](c1ncc[nH]1)c1ccccc1 ZINC000453442065 331132017 /nfs/dbraw/zinc/13/20/17/331132017.db2.gz XVIVRFVUDNLAOQ-ZFWWWQNUSA-N 0 1 271.408 3.913 20 0 CHADMN C[C@@H](CC(C)(C)C)N[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000453442060 331132055 /nfs/dbraw/zinc/13/20/55/331132055.db2.gz XVIVRFVUDNLAOQ-DZGCQCFKSA-N 0 1 271.408 3.913 20 0 CHADMN COc1c(C)cnc(C[N@@H+](C)Cc2sccc2C)c1C ZINC000195051666 331133803 /nfs/dbraw/zinc/13/38/03/331133803.db2.gz UIVHMUKZHQZXPA-UHFFFAOYSA-N 0 1 290.432 3.709 20 0 CHADMN CC(C)c1cnc(CNCCOCC2CCCC2)s1 ZINC000453582541 331134787 /nfs/dbraw/zinc/13/47/87/331134787.db2.gz IPARZKBDXINUEW-UHFFFAOYSA-N 0 1 282.453 3.563 20 0 CHADMN Cc1ccoc1CN[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000453596353 331135424 /nfs/dbraw/zinc/13/54/24/331135424.db2.gz AGMHGOGZNZBWOQ-SFHVURJKSA-N 0 1 299.414 3.972 20 0 CHADMN CCC1CN(Cc2cnc(-c3ccc(C)o3)s2)C1 ZINC000453600347 331135723 /nfs/dbraw/zinc/13/57/23/331135723.db2.gz DTAYVDBISOLLEA-UHFFFAOYSA-N 0 1 262.378 3.553 20 0 CHADMN Cc1cnn(C)c1CN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000453617188 331136765 /nfs/dbraw/zinc/13/67/65/331136765.db2.gz QVSNTAFGWPOKJP-SFHVURJKSA-N 0 1 295.430 3.846 20 0 CHADMN CC[C@@]1(C(C)C)C[C@H]1NCc1nccn1Cc1ccccc1 ZINC000453621830 331137060 /nfs/dbraw/zinc/13/70/60/331137060.db2.gz YKUFHLIAHLIISK-MJGOQNOKSA-N 0 1 297.446 3.846 20 0 CHADMN COC(=O)C[C@@H]1CC[C@H](Nc2ccc3cnccc3c2)[C@@H]1C ZINC000453625890 331137222 /nfs/dbraw/zinc/13/72/22/331137222.db2.gz ZQRAVTIUEAYJME-IGCXYCKISA-N 0 1 298.386 3.625 20 0 CHADMN CC(C)c1ccccc1NC(=O)c1c(O)cccc1F ZINC000163855778 331137392 /nfs/dbraw/zinc/13/73/92/331137392.db2.gz DVJOBXUEUVPRRF-UHFFFAOYSA-N 0 1 273.307 3.907 20 0 CHADMN Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2nc(C(C)C)no2)cc1 ZINC000172077373 335093746 /nfs/dbraw/zinc/09/37/46/335093746.db2.gz PLFUWGKSHWNYRC-MRXNPFEDSA-N 0 1 299.418 3.709 20 0 CHADMN Cc1ccc(C[C@H]2CCCN2Cc2nc(C(C)C)no2)cc1 ZINC000172077373 335093747 /nfs/dbraw/zinc/09/37/47/335093747.db2.gz PLFUWGKSHWNYRC-MRXNPFEDSA-N 0 1 299.418 3.709 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C3=CC[C@H](C)CC3)ccc12 ZINC000456012789 331182440 /nfs/dbraw/zinc/18/24/40/331182440.db2.gz IASIGIMWGAISBI-JTQLQIEISA-N 0 1 269.348 3.556 20 0 CHADMN C[C@H]1CC=C(C(=O)Nc2cc(Cl)c(O)cc2F)CC1 ZINC000456031932 331182882 /nfs/dbraw/zinc/18/28/82/331182882.db2.gz ARCTUGSBDWXSFQ-QMMMGPOBSA-N 0 1 283.730 3.870 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000457000765 331209914 /nfs/dbraw/zinc/20/99/14/331209914.db2.gz LMGKPPLFMXUFSJ-OBJOEFQTSA-N 0 1 291.439 3.786 20 0 CHADMN O=C(Nc1ccc(F)c(F)c1O)[C@H]1CC12CCCCC2 ZINC000457285702 331218055 /nfs/dbraw/zinc/21/80/55/331218055.db2.gz DJVPDGKHBHLLHU-SECBINFHSA-N 0 1 281.302 3.579 20 0 CHADMN O=C(CCC1CCCC1)Nc1ccc(F)c(F)c1O ZINC000457292042 331218291 /nfs/dbraw/zinc/21/82/91/331218291.db2.gz LFSQTFXYYWLWKL-UHFFFAOYSA-N 0 1 269.291 3.579 20 0 CHADMN COCc1cc(CN(C)C2CCC(C(C)(C)C)CC2)no1 ZINC000459295332 331275044 /nfs/dbraw/zinc/27/50/44/331275044.db2.gz HTVKBVJTWNPCRQ-UHFFFAOYSA-N 0 1 294.439 3.858 20 0 CHADMN COCc1cc(CN(CCC(C)C)CCC(C)C)no1 ZINC000459306013 331275538 /nfs/dbraw/zinc/27/55/38/331275538.db2.gz VNOPXMFLVVFFIN-UHFFFAOYSA-N 0 1 282.428 3.715 20 0 CHADMN COCc1cc(CN2CCCC[C@H]2CCC(C)C)no1 ZINC000459363498 331278286 /nfs/dbraw/zinc/27/82/86/331278286.db2.gz VGEBWAKEEUKUOP-HNNXBMFYSA-N 0 1 280.412 3.612 20 0 CHADMN c1csc(C2(NCCOCC3CCCC3)CCCC2)n1 ZINC000459389986 331279632 /nfs/dbraw/zinc/27/96/32/331279632.db2.gz OEUUMHGNPODCIG-UHFFFAOYSA-N 0 1 294.464 3.709 20 0 CHADMN OC[C@H](NCc1ccc(C2CC2)cc1)c1cccc(F)c1 ZINC000459417013 331280577 /nfs/dbraw/zinc/28/05/77/331280577.db2.gz RLFOGVYFRPMQJR-SFHVURJKSA-N 0 1 285.362 3.526 20 0 CHADMN Clc1ccc(C2(NCc3cnc(C4CC4)nc3)CC2)cc1 ZINC000459426593 331280842 /nfs/dbraw/zinc/28/08/42/331280842.db2.gz MIRABVCQNAJUFO-UHFFFAOYSA-N 0 1 299.805 3.786 20 0 CHADMN Cc1cc(CN[C@@H](C)Cc2ccc(C(C)C)cc2)no1 ZINC000459430565 331280950 /nfs/dbraw/zinc/28/09/50/331280950.db2.gz DRQMGTYKCCOXNH-ZDUSSCGKSA-N 0 1 272.392 3.827 20 0 CHADMN FC1(F)CCC(CN2CCCC[C@H]2c2cc[nH]n2)CC1 ZINC000459458254 331282337 /nfs/dbraw/zinc/28/23/37/331282337.db2.gz HAMHELOFARLEFM-AWEZNQCLSA-N 0 1 283.366 3.762 20 0 CHADMN c1cc(C2CCN(Cc3cnc(C4CC4)nc3)CC2)cs1 ZINC000459504451 331285199 /nfs/dbraw/zinc/28/51/99/331285199.db2.gz RPBSIPLQGHNBPH-UHFFFAOYSA-N 0 1 299.443 3.795 20 0 CHADMN c1cc([C@@H]2CCCC[N@@H+]2C[C@@H]2C[C@H]2c2ccccc2)n[nH]1 ZINC000459545387 331286927 /nfs/dbraw/zinc/28/69/27/331286927.db2.gz PTSWSHYUQJMYGE-BQFCYCMXSA-N 0 1 281.403 3.740 20 0 CHADMN C[C@H](C1CCCCC1)[N@@H+](C)Cc1cnc(C2CC2)nc1 ZINC000459545816 331287078 /nfs/dbraw/zinc/28/70/78/331287078.db2.gz POWDXIMPZPRMKI-CYBMUJFWSA-N 0 1 273.424 3.755 20 0 CHADMN FC(F)CN[C@@H]1CCC[C@H]1CCc1ccccc1 ZINC000459552501 331287458 /nfs/dbraw/zinc/28/74/58/331287458.db2.gz ZMUTVNAZLPKLOE-UONOGXRCSA-N 0 1 253.336 3.643 20 0 CHADMN COC[C@]1(C)CCN(Cc2c(F)cc(C)cc2Cl)C1 ZINC000459569278 331288389 /nfs/dbraw/zinc/28/83/89/331288389.db2.gz MDLROXUQOHJCKC-OAHLLOKOSA-N 0 1 285.790 3.646 20 0 CHADMN COc1ccsc1CN1CC2(C1)CCCCC2 ZINC000459576101 331288820 /nfs/dbraw/zinc/28/88/20/331288820.db2.gz DMINCNBBKJBHRF-UHFFFAOYSA-N 0 1 251.395 3.523 20 0 CHADMN O[C@@H](CN1CC2(CCCC2)[C@H]1c1ccccc1)C(F)(F)F ZINC000459576983 331288899 /nfs/dbraw/zinc/28/88/99/331288899.db2.gz LNEMTUYTSWVSOG-UONOGXRCSA-N 0 1 299.336 3.527 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CC(C2CCCCC2)C1 ZINC000459587624 331289456 /nfs/dbraw/zinc/28/94/56/331289456.db2.gz FHZNWXPLZFJQRV-UHFFFAOYSA-N 0 1 275.440 3.785 20 0 CHADMN c1nc(-c2ccncc2)sc1CN1CC2(C1)CCCCC2 ZINC000459592941 331289686 /nfs/dbraw/zinc/28/96/86/331289686.db2.gz HXBQHABWMQKFRQ-UHFFFAOYSA-N 0 1 299.443 3.971 20 0 CHADMN CCC1(CC)CN(Cc2cnc(C(C)C)s2)C1 ZINC000459601198 331290257 /nfs/dbraw/zinc/29/02/57/331290257.db2.gz WREOLCCYKSZANN-UHFFFAOYSA-N 0 1 252.427 3.889 20 0 CHADMN CCC1(C)CN(Cc2cccc(OC(F)F)c2)C1 ZINC000459639973 331291783 /nfs/dbraw/zinc/29/17/83/331291783.db2.gz WDRCRFYZERWTNQ-UHFFFAOYSA-N 0 1 255.308 3.520 20 0 CHADMN CC(C)C[C@@H]1C[C@H]1NCc1ncc(C(F)(F)F)s1 ZINC000459653493 331292140 /nfs/dbraw/zinc/29/21/40/331292140.db2.gz CORQBEXULNFYRG-RKDXNWHRSA-N 0 1 278.343 3.686 20 0 CHADMN CC(C)c1noc(CN(C)[C@@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000459668610 331293261 /nfs/dbraw/zinc/29/32/61/331293261.db2.gz CFGILKKVLKMVCA-HZPDHXFCSA-N 0 1 299.418 3.961 20 0 CHADMN CCc1cc(OC)ccc1CNCc1ccc(C)c(C)n1 ZINC000459671040 331293355 /nfs/dbraw/zinc/29/33/55/331293355.db2.gz OYWUPBHITVDPDP-UHFFFAOYSA-N 0 1 284.403 3.559 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000459672101 331293473 /nfs/dbraw/zinc/29/34/73/331293473.db2.gz XYQXEFITWJLDTA-QMTHXVAHSA-N 0 1 294.757 3.730 20 0 CHADMN CC(C)c1nnc(CN(C)[C@H]2CCC[C@@H]2c2ccccc2)[nH]1 ZINC000459686887 331294425 /nfs/dbraw/zinc/29/44/25/331294425.db2.gz DVGVCAPGCBIWGS-CVEARBPZSA-N 0 1 298.434 3.696 20 0 CHADMN Cc1ccnc(CN(C)[C@@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000459702529 331295075 /nfs/dbraw/zinc/29/50/75/331295075.db2.gz NTJXQSARNCXLFY-IAGOWNOFSA-N 0 1 281.403 3.553 20 0 CHADMN CCOC[C@H]1CCCC[N@H+]1CCCCC(F)(F)F ZINC000459720313 331295769 /nfs/dbraw/zinc/29/57/69/331295769.db2.gz SPEUVTJOTVPONR-GFCCVEGCSA-N 0 1 267.335 3.610 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN(C)C1CC(C)(C)C1 ZINC000459748322 331298041 /nfs/dbraw/zinc/29/80/41/331298041.db2.gz WOZKLIJLYKEGEV-UHFFFAOYSA-N 0 1 288.435 3.616 20 0 CHADMN CCC1(c2ccccc2)CN(Cc2cn(C(C)C)nc2C)C1 ZINC000459750423 331298346 /nfs/dbraw/zinc/29/83/46/331298346.db2.gz KKYBLWUGSQBSPJ-UHFFFAOYSA-N 0 1 297.446 3.936 20 0 CHADMN CSC1(CN2Cc3ccc(Cl)cc3C2)CCC1 ZINC000459753742 331298602 /nfs/dbraw/zinc/29/86/02/331298602.db2.gz NSOZEDXWHQOLEA-UHFFFAOYSA-N 0 1 267.825 3.941 20 0 CHADMN CN(Cc1ccnn1C1CCCC1)C1CC(C)(C)C1 ZINC000459758831 331298846 /nfs/dbraw/zinc/29/88/46/331298846.db2.gz SRTBXZBKGLUQPP-UHFFFAOYSA-N 0 1 261.413 3.619 20 0 CHADMN CC[C@H]1C[C@@H](CN2Cc3ccc(Cl)cc3C2)CCO1 ZINC000459771689 331299927 /nfs/dbraw/zinc/29/99/27/331299927.db2.gz ZDBYYZFGIWUVJO-LRDDRELGSA-N 0 1 279.811 3.861 20 0 CHADMN C[C@H]1CN(Cc2sc3ccccc3c2Cl)CC[C@@H]1O ZINC000167169945 331307945 /nfs/dbraw/zinc/30/79/45/331307945.db2.gz UBNSAYCNCVBNHQ-JQWIXIFHSA-N 0 1 295.835 3.757 20 0 CHADMN Clc1ccc(CNc2cc3c(cn2)CCCC3)o1 ZINC000461213495 331311949 /nfs/dbraw/zinc/31/19/49/331311949.db2.gz PBRHPIZTKSKMDY-UHFFFAOYSA-N 0 1 262.740 3.819 20 0 CHADMN COc1ccc(F)cc1CNCCOC1CCCCCC1 ZINC000462791170 331329177 /nfs/dbraw/zinc/32/91/77/331329177.db2.gz RBLYBOGGMXEITF-UHFFFAOYSA-N 0 1 295.398 3.663 20 0 CHADMN Cc1ccc(CN2CC(c3ccccc3F)C2)cc1 ZINC000463036790 331338155 /nfs/dbraw/zinc/33/81/55/331338155.db2.gz LFWNWIPXPNVJQP-UHFFFAOYSA-N 0 1 255.336 3.734 20 0 CHADMN CCN(Cc1cc(C(C)(C)C)on1)CC(C)(C)C ZINC000463364865 331346779 /nfs/dbraw/zinc/34/67/79/331346779.db2.gz BVFZOZZBBGLKOB-UHFFFAOYSA-N 0 1 252.402 3.840 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1Cc1nnc(-c2ccccc2)s1 ZINC000464682200 331364684 /nfs/dbraw/zinc/36/46/84/331364684.db2.gz FMDBNRSJHNGAPS-GXTWGEPZSA-N 0 1 287.432 3.826 20 0 CHADMN CC(C)[C@H]1CN(Cc2cccc(Cl)c2)CCS1 ZINC000464777311 331367328 /nfs/dbraw/zinc/36/73/28/331367328.db2.gz SOXRJDIIHMGMPY-CQSZACIVSA-N 0 1 269.841 3.913 20 0 CHADMN Cc1sc(NC(=O)CN2C[C@@H](C)CC[C@H]2C)c(C)c1C ZINC000464828323 331370054 /nfs/dbraw/zinc/37/00/54/331370054.db2.gz MDEHXDCFTSGZAZ-WDEREUQCSA-N 0 1 294.464 3.732 20 0 CHADMN CCC[C@@]1(C)CCCN(CC(=O)Nc2ccccc2C)C1 ZINC000464840772 331370493 /nfs/dbraw/zinc/37/04/93/331370493.db2.gz AIJBUPJUVQJVNF-SFHVURJKSA-N 0 1 288.435 3.836 20 0 CHADMN Cc1cccc(CN2C[C@@H](C)OC[C@H]2c2ccccc2)c1 ZINC000464849877 331371039 /nfs/dbraw/zinc/37/10/39/331371039.db2.gz ZNXVJPNIVQQSGB-APWZRJJASA-N 0 1 281.399 3.957 20 0 CHADMN c1sc(Nc2ccccc2)nc1CN1C[C@@H]2CCC[C@H]2C1 ZINC000464892274 331372866 /nfs/dbraw/zinc/37/28/66/331372866.db2.gz KGZVBMHHHZNWPP-KBPBESRZSA-N 0 1 299.443 3.541 20 0 CHADMN CSCCCN1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000464893165 331372884 /nfs/dbraw/zinc/37/28/84/331372884.db2.gz IWIVQVNBFJZFQW-WBVHZDCISA-N 0 1 293.476 3.818 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3C[C@H](C)CC[C@H]3C)n[nH]2)cc1 ZINC000464948877 331374250 /nfs/dbraw/zinc/37/42/50/331374250.db2.gz BNBMVURSKMVODX-ZIAGYGMSSA-N 0 1 297.402 3.646 20 0 CHADMN Cc1ccc2nc(CNC(=O)C[C@H]3CCC[C@@H](C)C3)[nH]c2c1 ZINC000465201645 331380441 /nfs/dbraw/zinc/38/04/41/331380441.db2.gz YNEMXJZKGDLQNJ-OCCSQVGLSA-N 0 1 299.418 3.704 20 0 CHADMN CC/C=C\CCN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000466215416 331391012 /nfs/dbraw/zinc/39/10/12/331391012.db2.gz DLTIJHDFGGKYDI-JXCVUKRWSA-N 0 1 271.404 3.517 20 0 CHADMN CC[C@@H](C)CNc1ccc(Cl)c(CN(C)C)c1 ZINC000466419437 331396099 /nfs/dbraw/zinc/39/60/99/331396099.db2.gz LSVHWJPVXXIIBY-LLVKDONJSA-N 0 1 254.805 3.860 20 0 CHADMN Cc1cccc(CN[C@H]2COc3ccc(F)cc32)c1C ZINC000466446389 331397315 /nfs/dbraw/zinc/39/73/15/331397315.db2.gz PRHUMGLHERMKBA-INIZCTEOSA-N 0 1 271.335 3.666 20 0 CHADMN COc1ccccc1/C=C\CN[C@H]1COc2ccc(F)cc21 ZINC000466472699 331397935 /nfs/dbraw/zinc/39/79/35/331397935.db2.gz HJTNLTUFWZTLQK-LEXSJLIMSA-N 0 1 299.345 3.571 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@H](C)CC(F)(F)F ZINC000468050919 331427808 /nfs/dbraw/zinc/42/78/08/331427808.db2.gz NRGIOPVGPCPVAO-NXEZZACHSA-N 0 1 260.303 3.636 20 0 CHADMN CC(C)(CF)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000472125481 331529322 /nfs/dbraw/zinc/52/93/22/331529322.db2.gz DTOVXGJJEZLLAU-UHFFFAOYSA-N 0 1 265.303 3.923 20 0 CHADMN CC(C)(C)c1cnc(CN[C@H]2CCCC2(C)C)o1 ZINC000472605950 331539880 /nfs/dbraw/zinc/53/98/80/331539880.db2.gz YSGNELSBTRFNRO-NSHDSACASA-N 0 1 250.386 3.640 20 0 CHADMN COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1ccco1 ZINC000474048171 331565526 /nfs/dbraw/zinc/56/55/26/331565526.db2.gz YZOWVYUCYAAOPE-INIZCTEOSA-N 0 1 271.360 3.800 20 0 CHADMN C[C@H](CC1CC1)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000475634722 331640086 /nfs/dbraw/zinc/64/00/86/331640086.db2.gz KWDAWGRYVFOLGP-RNCFNFMXSA-N 0 1 288.218 3.805 20 0 CHADMN CCCC[C@H](CC)C(=O)Nc1cc(C(C)=O)ccc1O ZINC000476326203 331661673 /nfs/dbraw/zinc/66/16/73/331661673.db2.gz UCEMJFSWJPNVQZ-LBPRGKRZSA-N 0 1 277.364 3.750 20 0 CHADMN CC1(C)CCC[C@H]1C(=O)Nc1cccc(Cl)c1O ZINC000477706739 331688735 /nfs/dbraw/zinc/68/87/35/331688735.db2.gz WGSMACWJCUIGHN-VIFPVBQESA-N 0 1 267.756 3.810 20 0 CHADMN COC[C@H](NCc1cc(F)ccc1C)c1ccc(F)cc1 ZINC000478330037 331704160 /nfs/dbraw/zinc/70/41/60/331704160.db2.gz XDPUBZDENWHXMH-KRWDZBQOSA-N 0 1 291.341 3.751 20 0 CHADMN CCC[C@H](C(=O)NC[C@H](c1ccsc1)N(C)C)C(C)C ZINC000479663475 331742460 /nfs/dbraw/zinc/74/24/60/331742460.db2.gz IWNCYJNAYHAXBS-LSDHHAIUSA-N 0 1 296.480 3.539 20 0 CHADMN CC(C)=CCNCc1cc(C(F)(F)F)ccc1F ZINC000480283626 331766075 /nfs/dbraw/zinc/76/60/75/331766075.db2.gz KJOIVTAMIVNAFP-UHFFFAOYSA-N 0 1 261.262 3.900 20 0 CHADMN CC[C@@H]1CCCC[C@H]1NCc1nc(CCC(C)C)no1 ZINC000481173907 331799723 /nfs/dbraw/zinc/79/97/23/331799723.db2.gz HDVOICGCEDCROQ-ZIAGYGMSSA-N 0 1 279.428 3.717 20 0 CHADMN COc1cc(Cl)ccc1CN1CCC(C)CC1 ZINC000482632896 331841516 /nfs/dbraw/zinc/84/15/16/331841516.db2.gz PVDUXKKKSOTNBB-UHFFFAOYSA-N 0 1 253.773 3.581 20 0 CHADMN COC[C@@H](CC(C)C)N[C@@H](C)c1c(F)cccc1OC ZINC000483711046 331882769 /nfs/dbraw/zinc/88/27/69/331882769.db2.gz ITFMYDAKZJCBLJ-QWHCGFSZSA-N 0 1 283.387 3.546 20 0 CHADMN COc1cccc(F)c1[C@@H](C)NC/C=C/c1ccncc1 ZINC000487337891 331967005 /nfs/dbraw/zinc/96/70/05/331967005.db2.gz VFWHNOQIIUTTJO-MUBLQREKSA-N 0 1 286.350 3.593 20 0 CHADMN Cc1cc(CNC2(c3cccc(C)c3)CCCC2)nn1C ZINC000487401984 331968829 /nfs/dbraw/zinc/96/88/29/331968829.db2.gz FKMLFOAJVBUNCO-UHFFFAOYSA-N 0 1 283.419 3.596 20 0 CHADMN C[C@@]12CCN(c3ccnc4cc(F)ccc43)C[C@@H]1C2(F)F ZINC000488447274 332009875 /nfs/dbraw/zinc/00/98/75/332009875.db2.gz VNXNHBICYNQKGP-LSDHHAIUSA-N 0 1 292.304 3.855 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)NC[C@H]3C[C@@H]3C)n2)cc1 ZINC000488536476 332016226 /nfs/dbraw/zinc/01/62/26/332016226.db2.gz WCKFDWXCHWAPLL-SLEUVZQESA-N 0 1 285.391 3.606 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H](c2cccc(C)c2)C(C)(C)C)c1C ZINC000488819427 332027281 /nfs/dbraw/zinc/02/72/81/332027281.db2.gz SKPHDCUNARCRLU-MRXNPFEDSA-N 0 1 299.418 3.852 20 0 CHADMN Cc1cc(C)cc(C(=O)Nc2nc3ccc(F)cc3[nH]2)c1 ZINC000488893043 332032519 /nfs/dbraw/zinc/03/25/19/332032519.db2.gz HDTXPDWVWLWQOS-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN CCc1ccccc1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488931105 332034214 /nfs/dbraw/zinc/03/42/14/332034214.db2.gz HANYKFCWQPCLKP-UHFFFAOYSA-N 0 1 283.306 3.517 20 0 CHADMN CCC[C@@H](C(=O)Nc1nc2ccc(F)cc2[nH]1)C(C)C ZINC000488941152 332034560 /nfs/dbraw/zinc/03/45/60/332034560.db2.gz AASZQOMAITVSQQ-LLVKDONJSA-N 0 1 277.343 3.713 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C[C@H](C)CC(C)C)n[nH]1 ZINC000489212816 332043596 /nfs/dbraw/zinc/04/35/96/332043596.db2.gz BEPNCIVVAXVXJP-AGIUHOORSA-N 0 1 294.443 3.568 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C[C@@H](C)CC(C)C)n[nH]1 ZINC000489212824 332043616 /nfs/dbraw/zinc/04/36/16/332043616.db2.gz BEPNCIVVAXVXJP-RWMBFGLXSA-N 0 1 294.443 3.568 20 0 CHADMN CCCCC[C@H]1CCCN1C(=O)c1[nH]nc2ccccc21 ZINC000489348897 332048158 /nfs/dbraw/zinc/04/81/58/332048158.db2.gz GFGWIOZWPGMBAH-ZDUSSCGKSA-N 0 1 285.391 3.748 20 0 CHADMN CN(Cc1cc(-c2ccccc2)no1)[C@@H]1CC1(C)C ZINC000489457977 332053996 /nfs/dbraw/zinc/05/39/96/332053996.db2.gz APDLACJPVSISCR-OAHLLOKOSA-N 0 1 256.349 3.572 20 0 CHADMN CN(Cc1nc(C(F)(F)F)cs1)C1(C)CCCC1 ZINC000490216170 332084757 /nfs/dbraw/zinc/08/47/57/332084757.db2.gz MFNDZFUNOCIQBJ-UHFFFAOYSA-N 0 1 278.343 3.926 20 0 CHADMN CC(C)CO[C@@H](C)c1noc(CN(C)C2(C)CCCC2)n1 ZINC000490251648 332085437 /nfs/dbraw/zinc/08/54/37/332085437.db2.gz RRACQSYPXOPNPJ-ZDUSSCGKSA-N 0 1 295.427 3.568 20 0 CHADMN COc1c(O)cccc1C[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000490373764 332087833 /nfs/dbraw/zinc/08/78/33/332087833.db2.gz SKLIPGLTZNXMQT-YOEHRIQHSA-N 0 1 297.398 3.779 20 0 CHADMN CCCCc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000490409557 332088902 /nfs/dbraw/zinc/08/89/02/332088902.db2.gz AJZDPEIBRMFVJK-KRWDZBQOSA-N 0 1 286.419 3.595 20 0 CHADMN CCCCc1ccc(NC(=O)[C@@H]2CCCN2C2CC2)cc1 ZINC000490409557 332088903 /nfs/dbraw/zinc/08/89/03/332088903.db2.gz AJZDPEIBRMFVJK-KRWDZBQOSA-N 0 1 286.419 3.595 20 0 CHADMN CCCCc1nc(CN2CC[C@H](C3CC3)C2)cs1 ZINC000491107978 332150655 /nfs/dbraw/zinc/15/06/55/332150655.db2.gz FRUQICMEMZXWFC-ZDUSSCGKSA-N 0 1 264.438 3.718 20 0 CHADMN CC[C@@H](NCc1ccc(C)c(F)c1)c1ccc(F)cn1 ZINC000491420252 332208543 /nfs/dbraw/zinc/20/85/43/332208543.db2.gz BMBIFDSBGGKZTE-OAHLLOKOSA-N 0 1 276.330 3.909 20 0 CHADMN CCOc1ccc2c(c1)CCN([C@H](C)c1ccccn1)C2 ZINC000491896900 332374229 /nfs/dbraw/zinc/37/42/29/332374229.db2.gz YGBUZQDQKBZXCW-CQSZACIVSA-N 0 1 282.387 3.600 20 0 CHADMN COc1ccnc(NCc2ccc3nc(C)sc3c2)c1 ZINC000492078204 332381973 /nfs/dbraw/zinc/38/19/73/332381973.db2.gz FHJKBMRSNJZEKJ-UHFFFAOYSA-N 0 1 285.372 3.620 20 0 CHADMN CC[N@@H+](CCCOC(C)C)Cc1ccccc1Cl ZINC000492220194 332387833 /nfs/dbraw/zinc/38/78/33/332387833.db2.gz UOQSVUMBSHUFJK-UHFFFAOYSA-N 0 1 269.816 3.977 20 0 CHADMN CC=C(C=CC(=O)Nc1c(C)n[nH]c1C(F)F)CC ZINC000492453102 332398148 /nfs/dbraw/zinc/39/81/48/332398148.db2.gz FTGSGHPWHZOGAR-PIAAQLDDSA-N 0 1 269.295 3.507 20 0 CHADMN COc1ccc(F)cc1CNC/C=C/c1ccc(F)cc1 ZINC000494470759 332474590 /nfs/dbraw/zinc/47/45/90/332474590.db2.gz FAJXGMGSHZGFJU-NSCUHMNNSA-N 0 1 289.325 3.776 20 0 CHADMN Fc1cncc(CNCc2csc3ccccc23)c1 ZINC000494549253 332477838 /nfs/dbraw/zinc/47/78/38/332477838.db2.gz QJNIIHSZZVJLDH-UHFFFAOYSA-N 0 1 272.348 3.725 20 0 CHADMN CCCc1csc(CN[C@H]2CCCO[C@@H]2CC(C)C)n1 ZINC000494843808 332487593 /nfs/dbraw/zinc/48/75/93/332487593.db2.gz BTESIRMUQKODJG-LSDHHAIUSA-N 0 1 296.480 3.779 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H](CO)c2c(Cl)cccc2Cl)[C@H]1C ZINC000494993229 332498789 /nfs/dbraw/zinc/49/87/89/332498789.db2.gz GHFXSMGIUHIEPO-PSJXJDHFSA-N 0 1 288.218 3.661 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc3ccc(C)cc3o2)cn1 ZINC000495261127 332513354 /nfs/dbraw/zinc/51/33/54/332513354.db2.gz UTTPQRKIRISTEN-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN C[C@H]1C[C@@]1(NCc1ccco1)c1ccc(Cl)cc1 ZINC000500393331 332606590 /nfs/dbraw/zinc/60/65/90/332606590.db2.gz AZBHXQAVMAWDQE-NHYWBVRUSA-N 0 1 261.752 3.958 20 0 CHADMN CCn1nccc1CN[C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000500401721 332607097 /nfs/dbraw/zinc/60/70/97/332607097.db2.gz XBOSKCRPVZUNIY-WBMJQRKESA-N 0 1 289.810 3.581 20 0 CHADMN CC[C@H](CN[C@@H](C)c1ncc(C)o1)c1ccccc1 ZINC000500423943 332608268 /nfs/dbraw/zinc/60/82/68/332608268.db2.gz UOWUPWUTPRIZSC-UONOGXRCSA-N 0 1 258.365 3.827 20 0 CHADMN Cc1ccc(CNCc2cccc(OC(C)(C)C)n2)cc1 ZINC000503272325 332685313 /nfs/dbraw/zinc/68/53/13/332685313.db2.gz RFAFHKGVHZIJFJ-UHFFFAOYSA-N 0 1 284.403 3.857 20 0 CHADMN CCS[C@@H]1CCC[C@@H]1NCc1ncc(C(C)(C)C)o1 ZINC000503447732 332689816 /nfs/dbraw/zinc/68/98/16/332689816.db2.gz RXSLHZRMQSDTQS-NWDGAFQWSA-N 0 1 282.453 3.736 20 0 CHADMN CC[C@H](C)[C@](C)(O)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000305809793 332999944 /nfs/dbraw/zinc/99/99/44/332999944.db2.gz HOTFMVJQQLCPFH-ZYSHUDEJSA-N 0 1 298.430 3.558 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)N(C)Cc1cnccn1 ZINC000174638323 333004692 /nfs/dbraw/zinc/00/46/92/333004692.db2.gz FGZWJNZMHHJMTA-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN C[C@@H]1CCC[C@H](CCN2CCOC[C@@H]2CC(F)F)C1 ZINC000513380932 333016617 /nfs/dbraw/zinc/01/66/17/333016617.db2.gz NGCACYVEFXCIAW-MCIONIFRSA-N 0 1 275.383 3.559 20 0 CHADMN CC1=C(C)CN(Cc2cccc(O)c2Cl)CC1 ZINC000513410183 333017959 /nfs/dbraw/zinc/01/79/59/333017959.db2.gz ATXGTGBXYZWSNN-UHFFFAOYSA-N 0 1 251.757 3.588 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000175267922 333019085 /nfs/dbraw/zinc/01/90/85/333019085.db2.gz PPZBKNZAVAYKEL-UTUOFQBUSA-N 0 1 262.397 3.621 20 0 CHADMN C/C(=C\c1ccc(Cl)cc1)CNCc1cc(C)no1 ZINC000513488069 333022537 /nfs/dbraw/zinc/02/25/37/333022537.db2.gz OLMCAQDXISNLLV-YRNVUSSQSA-N 0 1 276.767 3.830 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@@H](C)c1cc(C)ccn1 ZINC000513660090 333030041 /nfs/dbraw/zinc/03/00/41/333030041.db2.gz FPHNZPNVRPYUSQ-XJKSGUPXSA-N 0 1 282.387 3.737 20 0 CHADMN COc1ccsc1CN1CCc2ccccc2[C@H]1C ZINC000513673676 333031456 /nfs/dbraw/zinc/03/14/56/333031456.db2.gz VQQRCLKFSYKFCP-GFCCVEGCSA-N 0 1 273.401 3.876 20 0 CHADMN CC[C@H](F)CN[C@H](C)c1ccc(Br)s1 ZINC000308526151 333033744 /nfs/dbraw/zinc/03/37/44/333033744.db2.gz QSMQHUZWMGZFAA-SFYZADRCSA-N 0 1 280.206 3.909 20 0 CHADMN C[C@H](CF)NCc1ccc(Cl)c(Br)c1 ZINC000308575176 333035471 /nfs/dbraw/zinc/03/54/71/333035471.db2.gz MHMJUKANPTVHGJ-SSDOTTSWSA-N 0 1 280.568 3.550 20 0 CHADMN CCSCCNCc1cc(Cl)sc1Cl ZINC000308633475 333037011 /nfs/dbraw/zinc/03/70/11/333037011.db2.gz ZZVCDPBUFBPLFI-UHFFFAOYSA-N 0 1 270.250 3.898 20 0 CHADMN CCC(C)(C)OCCNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000308722172 333038182 /nfs/dbraw/zinc/03/81/82/333038182.db2.gz DTOJBUZYAODPQY-OCCSQVGLSA-N 0 1 265.397 3.698 20 0 CHADMN CCC[C@@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000177255174 333055913 /nfs/dbraw/zinc/05/59/13/333055913.db2.gz YRRCHXQTWYSMPO-SECBINFHSA-N 0 1 260.175 3.663 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CCCCCC1 ZINC000177632413 333061200 /nfs/dbraw/zinc/06/12/00/333061200.db2.gz KHQOOFFILDUCMK-GFCCVEGCSA-N 0 1 250.386 3.909 20 0 CHADMN CCc1cccc(CC)c1NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000177747036 333062714 /nfs/dbraw/zinc/06/27/14/333062714.db2.gz ITQKWODJTAFTQM-OKILXGFUSA-N 0 1 288.435 3.623 20 0 CHADMN CC[C@H](C)C[N@@H+](CC)Cc1cc(F)cc2c1OCOC2 ZINC000177848991 333064067 /nfs/dbraw/zinc/06/40/67/333064067.db2.gz YVBWFGTVXOETMO-LBPRGKRZSA-N 0 1 281.371 3.560 20 0 CHADMN CC[C@H](C)C[N@@H+](CC)Cc1nc(-c2ccccc2)no1 ZINC000177858890 333064316 /nfs/dbraw/zinc/06/43/16/333064316.db2.gz GXNUELAUJBMSDR-ZDUSSCGKSA-N 0 1 273.380 3.605 20 0 CHADMN CCO[C@H]1C[C@H](N[C@@H](C)c2nccs2)C12CCCCC2 ZINC000087301563 333082503 /nfs/dbraw/zinc/08/25/03/333082503.db2.gz HTAMXLBOXYJZQP-IHRRRGAJSA-N 0 1 294.464 3.922 20 0 CHADMN Cc1cc(-c2noc(C3(F)CCCC3)n2)cc2nc[nH]c21 ZINC000517055360 333091132 /nfs/dbraw/zinc/09/11/32/333091132.db2.gz AMAJMIMFYXLTJY-UHFFFAOYSA-N 0 1 286.310 3.660 20 0 CHADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCCc1cccc2ccccc21 ZINC000517241937 333095718 /nfs/dbraw/zinc/09/57/18/333095718.db2.gz XODHIJKMYVKTEH-PBHICJAKSA-N 0 1 297.398 3.567 20 0 CHADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCCc1cccc2ccccc21 ZINC000517241940 333095769 /nfs/dbraw/zinc/09/57/69/333095769.db2.gz XODHIJKMYVKTEH-YOEHRIQHSA-N 0 1 297.398 3.567 20 0 CHADMN CCCc1ncc(CNCc2ccc(CC)s2)o1 ZINC000517284868 333096850 /nfs/dbraw/zinc/09/68/50/333096850.db2.gz BJQYJTSEORIYAN-UHFFFAOYSA-N 0 1 264.394 3.541 20 0 CHADMN Cc1cc([C@H](C)NCCCCc2ccc(F)c(F)c2)no1 ZINC000517543558 333101891 /nfs/dbraw/zinc/10/18/91/333101891.db2.gz HXLJJVOYGVUVTL-LBPRGKRZSA-N 0 1 294.345 3.935 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNCC2=Cc3ccccc3OC2)o1 ZINC000520955729 333108410 /nfs/dbraw/zinc/10/84/10/333108410.db2.gz NBLMUYWBEIVXEW-CXAGYDPISA-N 0 1 295.382 3.969 20 0 CHADMN Cc1cc(Br)cc(C)c1CNCc1ccco1 ZINC000520965730 333109092 /nfs/dbraw/zinc/10/90/92/333109092.db2.gz XKPYUHCGRIFRCJ-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN CCN(Cc1cnc(C)s1)Cc1ccc(C)cc1 ZINC000521221341 333115657 /nfs/dbraw/zinc/11/56/57/333115657.db2.gz ACEFBWUXQQFEBL-UHFFFAOYSA-N 0 1 260.406 3.782 20 0 CHADMN C[C@@H](N[C@@H](C)CCC1CC1)c1nc(Cc2ccccc2)no1 ZINC000184063870 333124784 /nfs/dbraw/zinc/12/47/84/333124784.db2.gz QINPSNRIJNHUFY-UONOGXRCSA-N 0 1 299.418 3.890 20 0 CHADMN CC(C)(C)c1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1 ZINC000184167279 333125408 /nfs/dbraw/zinc/12/54/08/333125408.db2.gz OPZJZRMTFXNLMV-UHFFFAOYSA-N 0 1 283.375 3.837 20 0 CHADMN COc1ccccc1[C@H](NC1CC(C)C1)c1ccco1 ZINC000184416723 333128314 /nfs/dbraw/zinc/12/83/14/333128314.db2.gz MQZKRARTTUIBNP-FVKWTLKZSA-N 0 1 271.360 3.766 20 0 CHADMN C[C@@H]1CCCC[C@H]1NCc1nc(CCc2ccccc2)no1 ZINC000184587960 333130090 /nfs/dbraw/zinc/13/00/90/333130090.db2.gz HPYPRMZTMQCTDR-GDBMZVCRSA-N 0 1 299.418 3.523 20 0 CHADMN CCC[C@H](C)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000184639746 333130833 /nfs/dbraw/zinc/13/08/33/333130833.db2.gz YRJWUUPUKVJYSE-WDEREUQCSA-N 0 1 277.343 3.715 20 0 CHADMN CC(C)C[C@@H](C)C(=O)Nc1cccc(Cl)c1O ZINC000184907236 333133080 /nfs/dbraw/zinc/13/30/80/333133080.db2.gz OUZLSKXJLJYQIY-SECBINFHSA-N 0 1 255.745 3.666 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccnn2C(C)C)cc1F ZINC000337189779 335124830 /nfs/dbraw/zinc/12/48/30/335124830.db2.gz RYSIIRBQVJHRCW-CYBMUJFWSA-N 0 1 275.371 3.762 20 0 CHADMN COc1ncccc1CN[C@@H]1CCCc2c(C)ccc(C)c21 ZINC000186102951 333155108 /nfs/dbraw/zinc/15/51/08/333155108.db2.gz YCKYFDIMAAEDDG-QGZVFWFLSA-N 0 1 296.414 3.874 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@@H]2NCc1nccs1 ZINC000186117924 333155187 /nfs/dbraw/zinc/15/51/87/333155187.db2.gz GIDOXOBCWCNNCO-AWEZNQCLSA-N 0 1 272.417 3.927 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@@H](O)CC(C)(C)C)cs1 ZINC000186344146 333158837 /nfs/dbraw/zinc/15/88/37/333158837.db2.gz DBAZIUWYQRYBGD-RYUDHWBXSA-N 0 1 284.469 3.714 20 0 CHADMN CC(C)c1nc([C@H](C)NCC(C)(C)C[C@H](C)O)cs1 ZINC000186413582 333160116 /nfs/dbraw/zinc/16/01/16/333160116.db2.gz CLVZYGXMDUVERT-RYUDHWBXSA-N 0 1 284.469 3.714 20 0 CHADMN CC(C)c1nc([C@@H](C)NCC(C)(C)[C@@H](O)C(C)C)cs1 ZINC000186432473 333160668 /nfs/dbraw/zinc/16/06/68/333160668.db2.gz RCHWVLIQIRCOPY-OCCSQVGLSA-N 0 1 298.496 3.960 20 0 CHADMN COc1ccc(F)cc1CN[C@@H]1c2ccccc2C[C@H]1C ZINC000187597277 333172767 /nfs/dbraw/zinc/17/27/67/333172767.db2.gz MCEHHMUEKUNAPP-XIKOKIGWSA-N 0 1 285.362 3.857 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cccs2)c(F)c1 ZINC000222283180 333179635 /nfs/dbraw/zinc/17/96/35/333179635.db2.gz JNBVAUZABOECCP-JTQLQIEISA-N 0 1 265.353 3.747 20 0 CHADMN CC(C)CCN(Cc1nc(C(C)C)no1)C1CCCC1 ZINC000521815739 333189290 /nfs/dbraw/zinc/18/92/90/333189290.db2.gz XEESYXIUGNCUDT-UHFFFAOYSA-N 0 1 279.428 3.984 20 0 CHADMN C[C@H](NC[C@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1Cl ZINC000222698645 333199028 /nfs/dbraw/zinc/19/90/28/333199028.db2.gz HVHIIAVYYPLLGG-CMPLNLGQSA-N 0 1 287.234 3.738 20 0 CHADMN CC(C)(O)C[N@@H+](C/C=C/c1ccc(Cl)cc1)C1CC1 ZINC000189946695 333200915 /nfs/dbraw/zinc/20/09/15/333200915.db2.gz AYGMFGPURABXDS-ONEGZZNKSA-N 0 1 279.811 3.589 20 0 CHADMN C[C@@H](c1c(F)cccc1F)[N@H+]1CCSC[C@@H](C)C1 ZINC000190477851 333207333 /nfs/dbraw/zinc/20/73/33/333207333.db2.gz GKPIKPRYOVHMDR-QWRGUYRKSA-N 0 1 271.376 3.711 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCSC[C@@H](C)C1 ZINC000190477851 333207334 /nfs/dbraw/zinc/20/73/34/333207334.db2.gz GKPIKPRYOVHMDR-QWRGUYRKSA-N 0 1 271.376 3.711 20 0 CHADMN C[C@H](N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1csc(Cl)c1 ZINC000191334173 333218268 /nfs/dbraw/zinc/21/82/68/333218268.db2.gz ZENZNAMZTSIPLD-NHCYSSNCSA-N 0 1 284.856 3.677 20 0 CHADMN C[C@@H](N[C@@H]1CCCC1(C)C)c1nc(C(C)(C)C)no1 ZINC000191571789 333221658 /nfs/dbraw/zinc/22/16/58/333221658.db2.gz URNQSMAJGXCCLI-GHMZBOCLSA-N 0 1 265.401 3.596 20 0 CHADMN CC1(C)CN(Cc2ccco2)CC[C@H]1C(F)(F)F ZINC000191664719 333223334 /nfs/dbraw/zinc/22/33/34/333223334.db2.gz DWTOGDUOWYSESJ-LLVKDONJSA-N 0 1 261.287 3.690 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000521938557 333224199 /nfs/dbraw/zinc/22/41/99/333224199.db2.gz IRTMPALWBQUYGJ-ZDUSSCGKSA-N 0 1 264.413 3.984 20 0 CHADMN CC[C@H]1CCCN(Cc2ncc(C(C)(C)C)o2)CC1 ZINC000521938557 333224200 /nfs/dbraw/zinc/22/42/00/333224200.db2.gz IRTMPALWBQUYGJ-ZDUSSCGKSA-N 0 1 264.413 3.984 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCS[C@H](C)CC1 ZINC000192184467 333231806 /nfs/dbraw/zinc/23/18/06/333231806.db2.gz RLPKXURWWJYGPA-MNOVXSKESA-N 0 1 271.376 3.853 20 0 CHADMN CC[C@H]1CCCN1Cc1csc(Br)c1 ZINC000522083455 333239268 /nfs/dbraw/zinc/23/92/68/333239268.db2.gz WOYAZBRPCDKUNM-JTQLQIEISA-N 0 1 274.227 3.885 20 0 CHADMN CC[C@H](C)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000192797261 333239593 /nfs/dbraw/zinc/23/95/93/333239593.db2.gz VYCGVDMJJFMGSD-WDEREUQCSA-N 0 1 251.374 3.566 20 0 CHADMN C[C@@H](N[C@@H]1COCc2ccccc21)c1cccc(F)c1 ZINC000225981008 333244079 /nfs/dbraw/zinc/24/40/79/333244079.db2.gz DAFSDUOYCBVISU-SJKOYZFVSA-N 0 1 271.335 3.748 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H]2COCc3ccccc32)c1 ZINC000226005642 333245297 /nfs/dbraw/zinc/24/52/97/333245297.db2.gz HJKYMKWIDGCSLV-KBXCAEBGSA-N 0 1 267.372 3.917 20 0 CHADMN CC(C)(C)CCN(Cc1cc[nH]n1)Cc1ccccc1 ZINC000522221188 333266402 /nfs/dbraw/zinc/26/64/02/333266402.db2.gz VINKRPOGIWWPJJ-UHFFFAOYSA-N 0 1 271.408 3.848 20 0 CHADMN CC(C)CO[C@H]1CCN(Cc2cc(Cl)cs2)C1 ZINC000194433920 333271032 /nfs/dbraw/zinc/27/10/32/333271032.db2.gz UEICQTFJUKRSJS-LBPRGKRZSA-N 0 1 273.829 3.648 20 0 CHADMN O=C(Nc1cccc2ccccc21)c1c(O)cccc1F ZINC000228840555 333297830 /nfs/dbraw/zinc/29/78/30/333297830.db2.gz PDDQSHSMUIIWMW-UHFFFAOYSA-N 0 1 281.286 3.937 20 0 CHADMN CC(C)N(Cc1ccccc1)C(=O)c1c(O)cccc1F ZINC000228840756 333297878 /nfs/dbraw/zinc/29/78/78/333297878.db2.gz PEJLGMNBMJSTCB-UHFFFAOYSA-N 0 1 287.334 3.582 20 0 CHADMN C[C@@H]1CN(CCCSc2ccccc2Cl)[C@@H](C)CO1 ZINC000229472594 333305466 /nfs/dbraw/zinc/30/54/66/333305466.db2.gz KBWODPPPIMBBET-QWHCGFSZSA-N 0 1 299.867 3.931 20 0 CHADMN CC1(CNC(=O)c2ccc(O)c(Cl)c2)CCCCC1 ZINC000229632726 333307171 /nfs/dbraw/zinc/30/71/71/333307171.db2.gz JADJRHRKDUMZOZ-UHFFFAOYSA-N 0 1 281.783 3.746 20 0 CHADMN C[C@H](NCc1ccc(-c2ccc(F)cc2)o1)c1cn[nH]c1 ZINC000229882769 333310691 /nfs/dbraw/zinc/31/06/91/333310691.db2.gz SOTNJDQRFJVKEA-NSHDSACASA-N 0 1 285.322 3.660 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C3CCCCCC3)n2)cc1 ZINC000523155479 333311455 /nfs/dbraw/zinc/31/14/55/333311455.db2.gz WDJKAPMRJZRGEU-UHFFFAOYSA-N 0 1 298.390 3.689 20 0 CHADMN CCC1(CC)CCN(C(=O)c2c(O)cccc2F)CC1 ZINC000230234823 333316031 /nfs/dbraw/zinc/31/60/31/333316031.db2.gz IFHGZPKICCZCLN-UHFFFAOYSA-N 0 1 279.355 3.574 20 0 CHADMN Fc1ccc(-c2nc(CN[C@@H]3CCSC3)cs2)cc1 ZINC000230704069 333321352 /nfs/dbraw/zinc/32/13/52/333321352.db2.gz ZCFSOUATCDNEGN-GFCCVEGCSA-N 0 1 294.420 3.544 20 0 CHADMN C[C@H](C(=O)OC(C)(C)C)N(C)CCCCc1ccccc1 ZINC000523436310 333326873 /nfs/dbraw/zinc/32/68/73/333326873.db2.gz LRTCRJUCKFDONY-OAHLLOKOSA-N 0 1 291.435 3.671 20 0 CHADMN Cc1cccc(C)c1CN1CCO[C@@H](c2ccccc2)C1 ZINC000523437274 333326887 /nfs/dbraw/zinc/32/68/87/333326887.db2.gz DHFGRUYRHREACE-LJQANCHMSA-N 0 1 281.399 3.877 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)N1C[C@@H](C)O[C@H](CC)C1 ZINC000523442294 333327175 /nfs/dbraw/zinc/32/71/75/333327175.db2.gz VHBVYLCJXIFVHR-WQVCFCJDSA-N 0 1 265.372 3.776 20 0 CHADMN CCc1ccc(-c2noc(CN3CCC[C@@H]3CC)n2)cc1 ZINC000523609505 333334253 /nfs/dbraw/zinc/33/42/53/333334253.db2.gz VMOPKAAEZAJEDV-HNNXBMFYSA-N 0 1 285.391 3.673 20 0 CHADMN CC[C@H](C)CN(C)Cc1csc(C(C)(C)C)n1 ZINC000303430335 333341815 /nfs/dbraw/zinc/34/18/15/333341815.db2.gz BWGTWFDITXAYOY-NSHDSACASA-N 0 1 254.443 3.919 20 0 CHADMN CCC[C@H](C(=O)OCC)N1CC[C@@H](c2ccccc2C)C1 ZINC000524485780 333363063 /nfs/dbraw/zinc/36/30/63/333363063.db2.gz JQUFTMIVSBEJHS-NVXWUHKLSA-N 0 1 289.419 3.516 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2nc(-c3ccco3)no2)CC1 ZINC000524484235 333363172 /nfs/dbraw/zinc/36/31/72/333363172.db2.gz OOVYVVGDMDQDPM-ZDUSSCGKSA-N 0 1 289.379 3.588 20 0 CHADMN CCc1ccc([C@H](NC(=O)c2[nH]nc(C)c2C)C(C)C)cc1 ZINC000524520858 333364561 /nfs/dbraw/zinc/36/45/61/333364561.db2.gz GZUOEAUQSBIEQZ-MRXNPFEDSA-N 0 1 299.418 3.716 20 0 CHADMN CC[C@@H](O)CN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000173546121 335136193 /nfs/dbraw/zinc/13/61/93/335136193.db2.gz BKPCAAVCPZAEGH-RISCZKNCSA-N 0 1 288.218 3.901 20 0 CHADMN CCOCCN(Cc1c(F)cccc1F)C1CCCC1 ZINC000524665980 333370565 /nfs/dbraw/zinc/37/05/65/333370565.db2.gz KKCDKRCVOHZCCI-UHFFFAOYSA-N 0 1 283.362 3.746 20 0 CHADMN CC[C@H](NC[C@@H](OC)c1ccccc1)c1nccs1 ZINC000338567065 335136946 /nfs/dbraw/zinc/13/69/46/335136946.db2.gz IJZOPRKUOWTDBI-UONOGXRCSA-N 0 1 276.405 3.572 20 0 CHADMN COc1ccc(F)cc1CNCc1cccc(Cl)c1 ZINC000237173647 333378143 /nfs/dbraw/zinc/37/81/43/333378143.db2.gz ZBEVYJFUDQVUGN-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN CCn1nc(CN[C@@H]2CCc3ccccc32)c2ccccc21 ZINC000315911981 333384465 /nfs/dbraw/zinc/38/44/65/333384465.db2.gz OGPMWBZTXGGQGG-QGZVFWFLSA-N 0 1 291.398 3.833 20 0 CHADMN COCc1nc(CN2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cs1 ZINC000524759079 333387299 /nfs/dbraw/zinc/38/72/99/333387299.db2.gz ZCLYLTVAPWKDAH-QEJZJMRPSA-N 0 1 294.464 3.690 20 0 CHADMN c1nc2ccc(CNc3ccccc3OCC3CC3)cc2[nH]1 ZINC000524885307 333391742 /nfs/dbraw/zinc/39/17/42/333391742.db2.gz RNHJFARCNPOSRE-UHFFFAOYSA-N 0 1 293.370 3.964 20 0 CHADMN C[C@@H]1C[C@H](C)N(CC(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000524908258 333393343 /nfs/dbraw/zinc/39/33/43/333393343.db2.gz PRCMJPXUFVLLAE-KGLIPLIRSA-N 0 1 288.435 3.653 20 0 CHADMN CN(C)[C@@H](CNc1nc2ccccc2o1)c1ccsc1 ZINC000026720430 333415337 /nfs/dbraw/zinc/41/53/37/333415337.db2.gz ZBBDIRAVNQEMFY-ZDUSSCGKSA-N 0 1 287.388 3.604 20 0 CHADMN COCCC1CCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC000528578617 333447033 /nfs/dbraw/zinc/44/70/33/333447033.db2.gz ZZIYDWYLXXMUMW-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN C[C@@H](NCc1ccsc1)c1cncc(Br)c1 ZINC000576004384 335140774 /nfs/dbraw/zinc/14/07/74/335140774.db2.gz VUZHVGLUZDVLAW-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN C[C@H](NCC1CCCCC1)c1nc(Cc2ccccc2)no1 ZINC000173795087 335141182 /nfs/dbraw/zinc/14/11/82/335141182.db2.gz MFZKPOSSNBLDEN-AWEZNQCLSA-N 0 1 299.418 3.891 20 0 CHADMN Cc1ccc(CNCc2cccc(O)c2Cl)s1 ZINC000328213765 333474549 /nfs/dbraw/zinc/47/45/49/333474549.db2.gz JGZIHQYZTKUFNY-UHFFFAOYSA-N 0 1 267.781 3.705 20 0 CHADMN Cc1ccccc1CC[NH2+]Cc1cccc([O-])c1Cl ZINC000328216556 333475267 /nfs/dbraw/zinc/47/52/67/333475267.db2.gz KEURBMDYNPLBDO-UHFFFAOYSA-N 0 1 275.779 3.686 20 0 CHADMN Fc1ccc(CN[C@@H]2CCCc3c(F)cccc32)nc1 ZINC000529580726 333499381 /nfs/dbraw/zinc/49/93/81/333499381.db2.gz DJJNOUZSIRKXRA-MRXNPFEDSA-N 0 1 274.314 3.527 20 0 CHADMN [O-]c1cccc(C[NH2+]CCc2ccc(F)cc2)c1Cl ZINC000328284153 333509380 /nfs/dbraw/zinc/50/93/80/333509380.db2.gz ZLIWBAHKICTTCJ-UHFFFAOYSA-N 0 1 279.742 3.517 20 0 CHADMN C[C@@H](NCc1cc(F)ccc1F)c1cccs1 ZINC000037233277 333520346 /nfs/dbraw/zinc/52/03/46/333520346.db2.gz PBKRHDIDEIMVAL-SECBINFHSA-N 0 1 253.317 3.877 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1cccc(OC)c1 ZINC000037680209 333536236 /nfs/dbraw/zinc/53/62/36/333536236.db2.gz QKHYVJMCDKETOG-AWEZNQCLSA-N 0 1 285.387 3.945 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1cccc(OC)c1 ZINC000037680207 333536295 /nfs/dbraw/zinc/53/62/95/333536295.db2.gz QKHYVJMCDKETOG-CQSZACIVSA-N 0 1 285.387 3.945 20 0 CHADMN CO[C@H]1CCCC[C@@H]1N[C@H](C)c1c(F)cccc1F ZINC000037771855 333538676 /nfs/dbraw/zinc/53/86/76/333538676.db2.gz YBBDLSQCCXAWKO-SWHYSGLUSA-N 0 1 269.335 3.573 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](C)c1ccc(F)cc1 ZINC000124557949 333559699 /nfs/dbraw/zinc/55/96/99/333559699.db2.gz FPLVEOOENJBISL-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN Fc1ccccc1CNC1(c2ccccc2)CCC1 ZINC000065275637 333590677 /nfs/dbraw/zinc/59/06/77/333590677.db2.gz NNSYVJIXMOXSNC-UHFFFAOYSA-N 0 1 255.336 3.995 20 0 CHADMN C[C@@H](N[C@@H]1CSc2ccccc21)c1ccc2c(c1)OCO2 ZINC000126512715 333598821 /nfs/dbraw/zinc/59/88/21/333598821.db2.gz UESATWSVJZQRTE-BXUZGUMPSA-N 0 1 299.395 3.913 20 0 CHADMN C[C@@H](N[C@@H](CO)c1cccc(F)c1)c1ccc(Cl)s1 ZINC000539084088 333656421 /nfs/dbraw/zinc/65/64/21/333656421.db2.gz NYSDCFCWGPAXDX-SKDRFNHKSA-N 0 1 299.798 3.925 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccccc1OC)c1ccc(C)cc1 ZINC000539084148 333656424 /nfs/dbraw/zinc/65/64/24/333656424.db2.gz PHGHWBANJWOSPM-QZTJIDSGSA-N 0 1 299.414 3.778 20 0 CHADMN CC[C@@H](COC)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000539690281 333685506 /nfs/dbraw/zinc/68/55/06/333685506.db2.gz PAWVXHYNUZNFAF-JTQLQIEISA-N 0 1 288.218 3.997 20 0 CHADMN COCC1(C)CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000540198107 333720664 /nfs/dbraw/zinc/72/06/64/333720664.db2.gz CZWCBBFBIHLYRT-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN CC(C)CC[C@H](NCc1nnc(C2CC2)o1)C(C)(C)C ZINC000540590564 333736076 /nfs/dbraw/zinc/73/60/76/333736076.db2.gz NZJDAIQSSZGINH-ZDUSSCGKSA-N 0 1 279.428 3.888 20 0 CHADMN Cc1oncc1CN[C@H](CC(C)C)c1ccccc1 ZINC000129694886 333789280 /nfs/dbraw/zinc/78/92/80/333789280.db2.gz NBXUYEKFXRAEFI-MRXNPFEDSA-N 0 1 258.365 3.860 20 0 CHADMN C[C@H](NC/C=C\c1ccccc1)c1ccc(F)cn1 ZINC000542776229 333840040 /nfs/dbraw/zinc/84/00/40/333840040.db2.gz CJOVWNNAHHSTJN-UJZCVKTISA-N 0 1 256.324 3.585 20 0 CHADMN CC[C@@H](N[C@H](c1ccccc1C)C1CC1)c1ccn(C)n1 ZINC000544567621 333936044 /nfs/dbraw/zinc/93/60/44/333936044.db2.gz DRNYOIDNELOTOF-AEFFLSMTSA-N 0 1 283.419 3.921 20 0 CHADMN CC[C@H](N[C@H]1c2ccccc2CC[C@H]1C)c1ccn(C)n1 ZINC000544572537 333936613 /nfs/dbraw/zinc/93/66/13/333936613.db2.gz FBCWQNQQWVMRDZ-RPVQJOFSSA-N 0 1 283.419 3.784 20 0 CHADMN c1c(CNCc2ccc3ccccc3c2)nc2ccccn12 ZINC000072726638 333955634 /nfs/dbraw/zinc/95/56/34/333955634.db2.gz FXXCFPMEOTYMGK-UHFFFAOYSA-N 0 1 287.366 3.777 20 0 CHADMN CCn1ccnc1CN[C@@H]1c2ccccc2CC[C@@H]1C(C)C ZINC000545904064 334005181 /nfs/dbraw/zinc/00/51/81/334005181.db2.gz HBFKKJFRETYFNJ-APWZRJJASA-N 0 1 297.446 3.952 20 0 CHADMN CC(C)N(Cc1nnc(-c2ccccc2)s1)CC1CC1 ZINC000545931106 334007377 /nfs/dbraw/zinc/00/73/77/334007377.db2.gz QVCSAEDQEJJLRB-UHFFFAOYSA-N 0 1 287.432 3.826 20 0 CHADMN C[C@@H](CCC1CC1)N[C@H](c1nccn1C)c1ccccc1 ZINC000545985239 334010827 /nfs/dbraw/zinc/01/08/27/334010827.db2.gz YGDIECDYIUWYKS-YOEHRIQHSA-N 0 1 283.419 3.678 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H](CO)C2CCCCC2)cs1 ZINC000545985424 334010854 /nfs/dbraw/zinc/01/08/54/334010854.db2.gz TZJZBLSKFOYXBF-GXTWGEPZSA-N 0 1 296.480 3.858 20 0 CHADMN Cc1cccc(C)c1[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000546219394 334020049 /nfs/dbraw/zinc/02/00/49/334020049.db2.gz DLKIGWQDEWQQCW-CYBMUJFWSA-N 0 1 293.370 3.671 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)N2CCC(C)(C)C2)n1 ZINC000074991859 334022160 /nfs/dbraw/zinc/02/21/60/334022160.db2.gz MGOMUXVCOPLWEF-CYBMUJFWSA-N 0 1 285.391 3.838 20 0 CHADMN C[C@H](c1cnccn1)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000546644132 334042965 /nfs/dbraw/zinc/04/29/65/334042965.db2.gz YZEIAHXGVBNFNA-CQSZACIVSA-N 0 1 283.419 3.967 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H]2COc3ccc(F)cc32)s1 ZINC000546649207 334043624 /nfs/dbraw/zinc/04/36/24/334043624.db2.gz NYURJRYVCCRAAX-MFKMUULPSA-N 0 1 277.364 3.980 20 0 CHADMN CCc1ccc(CN[C@H]2c3ccccc3C[C@@H]2C)o1 ZINC000133630740 334048251 /nfs/dbraw/zinc/04/82/51/334048251.db2.gz SXYWJTRQYVFMCF-YVEFUNNKSA-N 0 1 255.361 3.865 20 0 CHADMN CC(C)Cc1noc(CN[C@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000133658911 334049145 /nfs/dbraw/zinc/04/91/45/334049145.db2.gz KPPOMLKEKGLOON-CVEARBPZSA-N 0 1 299.418 3.694 20 0 CHADMN Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000075768794 334050685 /nfs/dbraw/zinc/05/06/85/334050685.db2.gz FVHYXPJTUFJXPI-RDJZCZTQSA-N 0 1 286.419 3.506 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2cc(F)cc3c2OCOC3)C1 ZINC000075999176 334065615 /nfs/dbraw/zinc/06/56/15/334065615.db2.gz NMFSTNNXJZKPMA-KRWDZBQOSA-N 0 1 293.382 3.704 20 0 CHADMN Cc1cc(-c2noc(CCC(C)C)n2)cc2nc[nH]c21 ZINC000547145529 334069228 /nfs/dbraw/zinc/06/92/28/334069228.db2.gz FIEPIOQMPFDLNZ-UHFFFAOYSA-N 0 1 270.336 3.510 20 0 CHADMN C[C@@H]1CCC[C@H](Cc2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000547159377 334069982 /nfs/dbraw/zinc/06/99/82/334069982.db2.gz HWRFKTOPJUPPAV-NEPJUHHUSA-N 0 1 296.374 3.982 20 0 CHADMN CN(Cc1csc(-c2ccsc2)n1)CC1CC1 ZINC000076747648 334088366 /nfs/dbraw/zinc/08/83/66/334088366.db2.gz DJMMOUOVAMYTIW-UHFFFAOYSA-N 0 1 264.419 3.713 20 0 CHADMN CN(C(=O)c1c(O)cccc1F)[C@H]1CCCc2ccccc21 ZINC000547468054 334090756 /nfs/dbraw/zinc/09/07/56/334090756.db2.gz JQKPZEJJLGZZCL-HNNXBMFYSA-N 0 1 299.345 3.681 20 0 CHADMN CC(C)(NCc1ccccc1F)c1cccc(F)c1 ZINC000076901990 334090876 /nfs/dbraw/zinc/09/08/76/334090876.db2.gz QNFUZBLITYXJJI-UHFFFAOYSA-N 0 1 261.315 3.990 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNCCOCc2ccccc2)o1 ZINC000237563829 334091247 /nfs/dbraw/zinc/09/12/47/334091247.db2.gz HVSNGNZOWYCBRV-YOEHRIQHSA-N 0 1 285.387 3.709 20 0 CHADMN Cc1ccc(C(=O)CCN2CCC[C@H]2c2ccccn2)cc1 ZINC000547507024 334095918 /nfs/dbraw/zinc/09/59/18/334095918.db2.gz QTAXNWSCQOCFNR-SFHVURJKSA-N 0 1 294.398 3.800 20 0 CHADMN CCC[C@H]1CCCC[C@@H]1NCc1csc(NC(C)=O)n1 ZINC000547508848 334096300 /nfs/dbraw/zinc/09/63/00/334096300.db2.gz DSMLYZYCXVBLOM-JSGCOSHPSA-N 0 1 295.452 3.550 20 0 CHADMN CC[C@@H]1CCCCCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000134805798 334104608 /nfs/dbraw/zinc/10/46/08/334104608.db2.gz BZKYQRJNUHRSBB-GFCCVEGCSA-N 0 1 281.783 3.840 20 0 CHADMN C[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2Br)C1 ZINC000134969572 334110048 /nfs/dbraw/zinc/11/00/48/334110048.db2.gz JZNHTBNXGYKILZ-QWRGUYRKSA-N 0 1 268.198 3.679 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2ccc(F)cc2Br)C1 ZINC000134968808 334109932 /nfs/dbraw/zinc/10/99/32/334109932.db2.gz BFGHOBPHBWJMNH-UWVGGRQHSA-N 0 1 286.188 3.819 20 0 CHADMN C[C@@H]1C[C@@H](C)N1CCCc1ccccc1Br ZINC000547770160 334116237 /nfs/dbraw/zinc/11/62/37/334116237.db2.gz RDVMCNQHDLMRQW-VXGBXAGGSA-N 0 1 282.225 3.864 20 0 CHADMN C[C@@H]1C[C@H](C)N1CCCc1ccccc1Br ZINC000547770159 334116301 /nfs/dbraw/zinc/11/63/01/334116301.db2.gz RDVMCNQHDLMRQW-TXEJJXNPSA-N 0 1 282.225 3.864 20 0 CHADMN C[C@@H](c1cccc(Br)c1)N1[C@H](C)C[C@@H]1C ZINC000547768764 334116345 /nfs/dbraw/zinc/11/63/45/334116345.db2.gz QYKGTYXINBVXPX-AXFHLTTASA-N 0 1 268.198 3.993 20 0 CHADMN CCCN(Cc1ncc(-c2cccc(F)c2)o1)C1CC1 ZINC000175178390 335177005 /nfs/dbraw/zinc/17/70/05/335177005.db2.gz JSFLBHIZILLLNL-UHFFFAOYSA-N 0 1 274.339 3.855 20 0 CHADMN CN(CCC1CC1)Cc1coc(-c2cccc(F)c2)n1 ZINC000135258322 334122007 /nfs/dbraw/zinc/12/20/07/334122007.db2.gz LKEFBVLSTPUJSK-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN CN(CCC1CC1)CC(=O)Nc1ccccc1C(C)(C)C ZINC000135290349 334123870 /nfs/dbraw/zinc/12/38/70/334123870.db2.gz GYWRDUNVTBYKPD-UHFFFAOYSA-N 0 1 288.435 3.655 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@@H](C(C)(C)C)CC2)nc1 ZINC000547996838 334134226 /nfs/dbraw/zinc/13/42/26/334134226.db2.gz IGSDAPYFMITORJ-CQSZACIVSA-N 0 1 276.424 3.738 20 0 CHADMN CCC[N@H+](CC(=O)Nc1ccc(C)cc1Cl)CC1CC1 ZINC000078664803 334138506 /nfs/dbraw/zinc/13/85/06/334138506.db2.gz GLEJPTZDHOWBJW-UHFFFAOYSA-N 0 1 294.826 3.709 20 0 CHADMN CCOc1ccccc1OCCOc1cc(C)nc(C)c1 ZINC000548142492 334142573 /nfs/dbraw/zinc/14/25/73/334142573.db2.gz XYKYMRGOIWVXQC-UHFFFAOYSA-N 0 1 287.359 3.555 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(C)cc1C ZINC000136031558 334144625 /nfs/dbraw/zinc/14/46/25/334144625.db2.gz FDLMJZSTGCLNQW-UHFFFAOYSA-N 0 1 271.364 3.711 20 0 CHADMN COc1ncc(CN2CCC[C@@H](C(C)C)C2)cc1Cl ZINC000548405927 334154541 /nfs/dbraw/zinc/15/45/41/334154541.db2.gz ZRQPICCZNUOPAM-CYBMUJFWSA-N 0 1 282.815 3.612 20 0 CHADMN C[C@@H]1CC[C@H](C)N(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000136987709 334166758 /nfs/dbraw/zinc/16/67/58/334166758.db2.gz UHZQCXKQWPBSFN-OLZOCXBDSA-N 0 1 289.423 3.718 20 0 CHADMN CO[C@H](C[N@H+]1CCOC(C)(C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000549140389 334186303 /nfs/dbraw/zinc/18/63/03/334186303.db2.gz YENIXLSRODAOSM-SWLSCSKDSA-N 0 1 297.826 3.527 20 0 CHADMN CO[C@H](CN1CCOC(C)(C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000549140389 334186304 /nfs/dbraw/zinc/18/63/04/334186304.db2.gz YENIXLSRODAOSM-SWLSCSKDSA-N 0 1 297.826 3.527 20 0 CHADMN Fc1ccc2c(c1)[C@H]([N@H+]1CC[C@H](OC(F)F)C1)CCC2 ZINC000549409020 334192973 /nfs/dbraw/zinc/19/29/73/334192973.db2.gz JTVZQWWAMVIYLC-GXTWGEPZSA-N 0 1 285.309 3.517 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N1CC[C@H](OC(F)F)C1 ZINC000549412013 334193248 /nfs/dbraw/zinc/19/32/48/334193248.db2.gz GMPBHQPJKWFEGL-CABZTGNLSA-N 0 1 275.726 3.715 20 0 CHADMN C[C@H](CN1CCOC[C@H]1c1cccn1C)C1CCCCC1 ZINC000549556446 334197842 /nfs/dbraw/zinc/19/78/42/334197842.db2.gz YLZVBUYLDRDHJH-QAPCUYQASA-N 0 1 290.451 3.615 20 0 CHADMN CC[N@@H+](CCc1ccccc1)Cc1nc(C)c(C)s1 ZINC000081666093 334202898 /nfs/dbraw/zinc/20/28/98/334202898.db2.gz PYJNYPIRIIHBFP-UHFFFAOYSA-N 0 1 274.433 3.825 20 0 CHADMN CCN(CCc1ccccc1)Cc1nc(C)c(C)s1 ZINC000081666093 334202899 /nfs/dbraw/zinc/20/28/99/334202899.db2.gz PYJNYPIRIIHBFP-UHFFFAOYSA-N 0 1 274.433 3.825 20 0 CHADMN CC(C)[C@@H]1CN([C@H](C)c2nc3ccccc3o2)CCS1 ZINC000245555016 334203088 /nfs/dbraw/zinc/20/30/88/334203088.db2.gz SQIMYAZVEZCODI-DOMZBBRYSA-N 0 1 290.432 3.962 20 0 CHADMN CC[C@H](C(=O)NC(C)(CC)CC)N(C)Cc1ccccc1 ZINC000549772308 334204437 /nfs/dbraw/zinc/20/44/37/334204437.db2.gz VRLXLNODXFMULW-MRXNPFEDSA-N 0 1 290.451 3.592 20 0 CHADMN CC[C@@H](O)[C@@H]1CCCCN1Cc1cccc(F)c1Cl ZINC000549857891 334207040 /nfs/dbraw/zinc/20/70/40/334207040.db2.gz UWAZMLJYDXOUKO-UONOGXRCSA-N 0 1 285.790 3.605 20 0 CHADMN COC[C@H]1CCN1Cc1ccccc1Oc1ccccc1 ZINC000550156827 334214696 /nfs/dbraw/zinc/21/46/96/334214696.db2.gz MFLQVFFQGWTDKR-MRXNPFEDSA-N 0 1 283.371 3.700 20 0 CHADMN c1nc2ccc(CNc3ccc([C@H]4CCOC4)cc3)cc2[nH]1 ZINC000550295939 334219218 /nfs/dbraw/zinc/21/92/18/334219218.db2.gz YNPLTSUKOHCGQS-HNNXBMFYSA-N 0 1 293.370 3.679 20 0 CHADMN C[C@@H]1CN(Cc2cn(C)nc2C(C)(C)C)[C@H]1c1ccccc1 ZINC000245951999 334225320 /nfs/dbraw/zinc/22/53/20/334225320.db2.gz XGVZNLKVAUZWAU-RHSMWYFYSA-N 0 1 297.446 3.911 20 0 CHADMN CCc1noc(C)c1CN[C@H](c1ccc(F)cc1)C1CC1 ZINC000550864178 334230988 /nfs/dbraw/zinc/23/09/88/334230988.db2.gz XKBRTTIITPIQND-KRWDZBQOSA-N 0 1 288.366 3.925 20 0 CHADMN C[C@@H](N[C@H]1CCC[C@H]1F)c1cnc2ccsc2c1 ZINC000551301996 334245675 /nfs/dbraw/zinc/24/56/75/334245675.db2.gz RKAGJDHXBVVPBS-JLLWLGSASA-N 0 1 264.369 3.838 20 0 CHADMN Cc1ccc([C@@H](N[C@H]2CCC[C@H]2F)C2CCC2)o1 ZINC000551309162 334246258 /nfs/dbraw/zinc/24/62/58/334246258.db2.gz KNGIPDSFIPSKTK-IPYPFGDCSA-N 0 1 251.345 3.909 20 0 CHADMN CC[C@H]1CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000246281089 334248239 /nfs/dbraw/zinc/24/82/39/334248239.db2.gz SYXZYJDYKKRGBJ-MNOVXSKESA-N 0 1 298.789 3.538 20 0 CHADMN CCC[C@H]1CCCN([C@H](C)c2nc(C(C)C)no2)C1 ZINC000246690714 334267101 /nfs/dbraw/zinc/26/71/01/334267101.db2.gz YMYPIAUTNXGZFO-OLZOCXBDSA-N 0 1 265.401 3.766 20 0 CHADMN C[C@H](c1cccc(Br)c1)N1CCCO[C@H](C)C1 ZINC000246774322 334269330 /nfs/dbraw/zinc/26/93/30/334269330.db2.gz IEUPCCAHTWKCIG-VXGBXAGGSA-N 0 1 298.224 3.621 20 0 CHADMN CC[C@H]1CCN1Cc1ccc(Sc2ccccn2)o1 ZINC000552052283 334282084 /nfs/dbraw/zinc/28/20/84/334282084.db2.gz YVGASOONTUDCLP-LBPRGKRZSA-N 0 1 274.389 3.810 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1ccc(F)cc1C ZINC000552057419 334282551 /nfs/dbraw/zinc/28/25/51/334282551.db2.gz UAEFUGPWSREWFE-UHFFFAOYSA-N 0 1 276.355 3.764 20 0 CHADMN Cc1cc(C)c(CN2C[C@]3(CCCO3)[C@H]2C2CC2)cc1C ZINC000552147230 334295482 /nfs/dbraw/zinc/29/54/82/334295482.db2.gz UAIKUHKQLGZLHW-RTBURBONSA-N 0 1 285.431 3.755 20 0 CHADMN CCOc1c(Cl)cc(CN2CCC(C)(C)C2)cc1OC ZINC000552272356 334310925 /nfs/dbraw/zinc/31/09/25/334310925.db2.gz LKKBVEPDHZJJGO-UHFFFAOYSA-N 0 1 297.826 3.979 20 0 CHADMN Cc1ccc(OC(F)F)c(C[N@H+]2CCC3(CCC3)C2)c1 ZINC000552278917 334312187 /nfs/dbraw/zinc/31/21/87/334312187.db2.gz SORYPCIQGYHSHJ-UHFFFAOYSA-N 0 1 281.346 3.972 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000086757047 334315650 /nfs/dbraw/zinc/31/56/50/334315650.db2.gz WAOWTJUYSJQRLR-AWEZNQCLSA-N 0 1 283.371 3.527 20 0 CHADMN CCn1nccc1CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000552316479 334316197 /nfs/dbraw/zinc/31/61/97/334316197.db2.gz BNJQGFVYUHDYIY-AWEZNQCLSA-N 0 1 289.810 3.546 20 0 CHADMN CC(F)(F)CNC1CCC(c2ccc(O)cc2)CC1 ZINC000552358818 334320219 /nfs/dbraw/zinc/32/02/19/334320219.db2.gz XWWJJWNFFIRRDH-UHFFFAOYSA-N 0 1 269.335 3.663 20 0 CHADMN Cc1cncc(CN2CC[C@@H](C)C[C@H]2c2ccco2)c1 ZINC000248907403 334321588 /nfs/dbraw/zinc/32/15/88/334321588.db2.gz IEWBIRQIGFJDLF-CJNGLKHVSA-N 0 1 270.376 3.956 20 0 CHADMN CC[C@@]1(CO)CCCN([C@H](C)c2cc(F)ccc2F)C1 ZINC000249547522 334336233 /nfs/dbraw/zinc/33/62/33/334336233.db2.gz GPWMGYLTHMYIJV-MLGOLLRUSA-N 0 1 283.362 3.510 20 0 CHADMN Cc1cc(C(=O)N2CCC[C@H]2c2ccc(C(C)C)cc2)n[nH]1 ZINC000089356575 334344355 /nfs/dbraw/zinc/34/43/55/334344355.db2.gz YRZBDOSBUXJNIK-KRWDZBQOSA-N 0 1 297.402 3.819 20 0 CHADMN CCOC(=O)[C@H]1CCCN([C@H](C)c2ccccc2Cl)C1 ZINC000250671299 334348021 /nfs/dbraw/zinc/34/80/21/334348021.db2.gz MKRBHLOIIRUZHP-OLZOCXBDSA-N 0 1 295.810 3.676 20 0 CHADMN Cc1ccc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c(C)c1 ZINC000251137505 334357202 /nfs/dbraw/zinc/35/72/02/334357202.db2.gz BEKDCPCMYWSDPN-OIISXLGYSA-N 0 1 287.403 3.521 20 0 CHADMN C(=C/[C@@H]1CCCCCN1Cc1c[nH]cn1)\c1ccccc1 ZINC000091924286 334386014 /nfs/dbraw/zinc/38/60/14/334386014.db2.gz JJRIBFIQFCMOJZ-ZGKFYVQTSA-N 0 1 281.403 3.868 20 0 CHADMN CC(C)CO[C@H]1CCN(Cc2cnc(C(C)(C)C)s2)C1 ZINC000091964525 334387329 /nfs/dbraw/zinc/38/73/29/334387329.db2.gz KYBSAFDYMJIIJS-ZDUSSCGKSA-N 0 1 296.480 3.688 20 0 CHADMN CCc1cccc(OCC[N@@H+](C)[C@@H](C)c2ccncc2)c1 ZINC000091989628 334390022 /nfs/dbraw/zinc/39/00/22/334390022.db2.gz GSUVSCQFNSTSQG-HNNXBMFYSA-N 0 1 284.403 3.716 20 0 CHADMN CC[C@@H](F)CN1CCC(c2ccccc2F)CC1 ZINC000555927244 334492164 /nfs/dbraw/zinc/49/21/64/334492164.db2.gz ASQJLWYEHXXHCL-CYBMUJFWSA-N 0 1 253.336 3.753 20 0 CHADMN CC(C)n1cncc1CNCc1cc2ccccc2o1 ZINC000564829334 334522789 /nfs/dbraw/zinc/52/27/89/334522789.db2.gz WBCILJZVTUXIEC-UHFFFAOYSA-N 0 1 269.348 3.500 20 0 CHADMN C[C@]1(CNCc2csc(-c3cccs3)n2)CCCO1 ZINC000152950476 334529378 /nfs/dbraw/zinc/52/93/78/334529378.db2.gz TWIPAXQPVXNBGU-CQSZACIVSA-N 0 1 294.445 3.530 20 0 CHADMN Cc1cc(CN[C@@H]2C[C@@H](C)c3c2cccc3C)on1 ZINC000153606806 334674573 /nfs/dbraw/zinc/67/45/73/334674573.db2.gz VELDVEKJDBKPQO-IAQYHMDHSA-N 0 1 256.349 3.630 20 0 CHADMN CC(C)(C)CCCNC(=O)c1ccc(O)c(Cl)c1 ZINC000156035095 334733711 /nfs/dbraw/zinc/73/37/11/334733711.db2.gz DFAMVRUWQLOKLF-UHFFFAOYSA-N 0 1 269.772 3.602 20 0 CHADMN C[C@H](N[C@H]1c2cccc(F)c2CC[C@@H]1C)c1cnccn1 ZINC000163289158 334817543 /nfs/dbraw/zinc/81/75/43/334817543.db2.gz URIXDVJXPDDXQB-NVGCLXPQSA-N 0 1 285.366 3.590 20 0 CHADMN C[C@H](N[C@H]1c2cccc(F)c2CC[C@H]1C)c1cnccn1 ZINC000163289063 334817552 /nfs/dbraw/zinc/81/75/52/334817552.db2.gz URIXDVJXPDDXQB-BWACUDIHSA-N 0 1 285.366 3.590 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000576710620 335238561 /nfs/dbraw/zinc/23/85/61/335238561.db2.gz NIFVUOAAKPOJQM-MUSGIIIZSA-N 0 1 287.403 3.809 20 0 CHADMN CC[C@@H](F)CN1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000576813651 335250495 /nfs/dbraw/zinc/25/04/95/335250495.db2.gz BPTFOBLSDHGEAQ-MRXNPFEDSA-N 0 1 291.410 3.946 20 0 CHADMN CN(CC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C ZINC000580548380 335276321 /nfs/dbraw/zinc/27/63/21/335276321.db2.gz RBFXHOHLTPZIIG-UHFFFAOYSA-N 0 1 289.206 3.662 20 0 CHADMN Cc1cc(=O)[n-]c([C@H](C)[N@H+](C)CCCCc2ccccc2)n1 ZINC000192546954 335276588 /nfs/dbraw/zinc/27/65/88/335276588.db2.gz XONXKRUWVURMST-HNNXBMFYSA-N 0 1 299.418 3.506 20 0 CHADMN Cc1cc(=O)[n-]c([C@H](C)[N@@H+](C)CCCCc2ccccc2)n1 ZINC000192546954 335276590 /nfs/dbraw/zinc/27/65/90/335276590.db2.gz XONXKRUWVURMST-HNNXBMFYSA-N 0 1 299.418 3.506 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2[C@H](C(=O)[O-])c2ccccc2)o1 ZINC000580574713 335288044 /nfs/dbraw/zinc/28/80/44/335288044.db2.gz HYMRTVREKRYQQI-HOCLYGCPSA-N 0 1 285.343 3.551 20 0 CHADMN Cc1cccc2cc(-c3nc(C4(N)CCCCC4)no3)oc21 ZINC000577054916 335291850 /nfs/dbraw/zinc/29/18/50/335291850.db2.gz SYHBJLKAJYIMDA-UHFFFAOYSA-N 0 1 297.358 3.909 20 0 CHADMN Cc1cc([C@H](C)NCCSCc2ccc(C)cc2)no1 ZINC000577151644 335309284 /nfs/dbraw/zinc/30/92/84/335309284.db2.gz KBKLKDBACFBTOJ-AWEZNQCLSA-N 0 1 290.432 3.875 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)CC1(C)C ZINC000580652443 335312110 /nfs/dbraw/zinc/31/21/10/335312110.db2.gz FYIKBIBCOFKYID-NSHDSACASA-N 0 1 295.810 3.906 20 0 CHADMN Cc1ccc(C)c([C@H](C)N[C@H]2C[C@@H](C)n3ccnc32)c1 ZINC000345344955 335316653 /nfs/dbraw/zinc/31/66/53/335316653.db2.gz BETXMIRYVMCVBM-YCPHGPKFSA-N 0 1 269.392 3.857 20 0 CHADMN CC(C)(C)[C@@H](N[C@@H]1CCn2ccnc21)c1ccccc1 ZINC000345356382 335317547 /nfs/dbraw/zinc/31/75/47/335317547.db2.gz UYJBKYRZVHRWHK-CABCVRRESA-N 0 1 269.392 3.705 20 0 CHADMN CC1=C(C)C[C@H](C(=O)Nc2ncc(C(F)(F)F)[nH]2)CC1 ZINC000577223827 335325823 /nfs/dbraw/zinc/32/58/23/335325823.db2.gz KUIOABMKXDYSOG-SECBINFHSA-N 0 1 287.285 3.504 20 0 CHADMN CCC[C@H](NCc1cnc(C)n1C)c1ccc(F)cc1F ZINC000577231743 335327751 /nfs/dbraw/zinc/32/77/51/335327751.db2.gz PIYIWIDXCOAUDJ-INIZCTEOSA-N 0 1 293.361 3.638 20 0 CHADMN C[C@@H]1c2c(F)cccc2CCN1CCC(C)(F)F ZINC000577466879 335355319 /nfs/dbraw/zinc/35/53/19/335355319.db2.gz CODPMUVIAUNNCK-SNVBAGLBSA-N 0 1 257.299 3.790 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NCc1ccc(C)cc1Cl ZINC000577497878 335359700 /nfs/dbraw/zinc/35/97/00/335359700.db2.gz AXAPNWGYKRMBFE-NSHDSACASA-N 0 1 277.799 3.541 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)CCCc1ccccc1 ZINC000577499324 335359850 /nfs/dbraw/zinc/35/98/50/335359850.db2.gz VRIATLZQYQEEGK-ZDUSSCGKSA-N 0 1 287.359 3.603 20 0 CHADMN COc1ccccc1CNCc1ccc(SC)s1 ZINC000577549990 335367349 /nfs/dbraw/zinc/36/73/49/335367349.db2.gz IVLSAKYDBMYNND-UHFFFAOYSA-N 0 1 279.430 3.768 20 0 CHADMN Cc1noc([C@H](C)N[C@H]2CCC[C@H]2CCc2ccccc2)n1 ZINC000577561690 335368666 /nfs/dbraw/zinc/36/86/66/335368666.db2.gz ICGWZTCXBZTNNR-JQFCIGGWSA-N 0 1 299.418 3.830 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000577732585 335393840 /nfs/dbraw/zinc/39/38/40/335393840.db2.gz KFYUKEMRWMTQRM-WCQYABFASA-N 0 1 291.439 3.786 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@@H](C)c1cncnc1C ZINC000577767901 335399563 /nfs/dbraw/zinc/39/95/63/335399563.db2.gz OUSKELOCRURBIZ-KBPBESRZSA-N 0 1 285.391 3.514 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccoc1)c1ccc2c(c1)OCCO2 ZINC000178481081 335434036 /nfs/dbraw/zinc/43/40/36/335434036.db2.gz CEYMHKXCEYRHAR-SWLSCSKDSA-N 0 1 287.359 3.853 20 0 CHADMN CC[C@H](N[C@H](CO)c1ccsc1)c1cccs1 ZINC000349427435 335467043 /nfs/dbraw/zinc/46/70/43/335467043.db2.gz XUGVDASAIFLWBW-NWDGAFQWSA-N 0 1 267.419 3.584 20 0 CHADMN COc1ccc(CNCc2c(C)oc3ccccc32)cc1O ZINC000179002989 335469818 /nfs/dbraw/zinc/46/98/18/335469818.db2.gz LITGYHQPJMMAGH-UHFFFAOYSA-N 0 1 297.354 3.745 20 0 CHADMN COC(=O)c1oc(CN[C@H](c2ccccc2)C2CC2)cc1C ZINC000179104858 335473577 /nfs/dbraw/zinc/47/35/77/335473577.db2.gz KSQYAGSZRYLMRR-MRXNPFEDSA-N 0 1 299.370 3.616 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cc2ccccc2[nH]1 ZINC000179722702 335511349 /nfs/dbraw/zinc/51/13/49/335511349.db2.gz KAEFIHOFWBFTLB-UHFFFAOYSA-N 0 1 286.718 3.779 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1ccc(F)c(F)c1 ZINC000179723895 335511793 /nfs/dbraw/zinc/51/17/93/335511793.db2.gz LFIRWDBORYOBDG-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN C[C@H]1CCC[C@@H](Cc2nc(-c3ccn4cncc4c3)no2)C1 ZINC000351044397 335560955 /nfs/dbraw/zinc/56/09/55/335560955.db2.gz GPDYGVZLTJZXKC-QWHCGFSZSA-N 0 1 296.374 3.753 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2F)[C@@H](C)O)c(C)s1 ZINC000578514221 335643617 /nfs/dbraw/zinc/64/36/17/335643617.db2.gz GIDXOELPTNFOOD-BZNIZROVSA-N 0 1 293.407 3.716 20 0 CHADMN Cc1ncncc1[C@@H](C)NCc1ccc(C2CC2)cc1 ZINC000578786152 335675215 /nfs/dbraw/zinc/67/52/15/335675215.db2.gz AVOTUPZTGYFZNG-GFCCVEGCSA-N 0 1 267.376 3.513 20 0 CHADMN CCc1cccc(CNC2(C(=O)Nc3ccccc3)CC2)c1 ZINC000579422623 335746403 /nfs/dbraw/zinc/74/64/03/335746403.db2.gz GFXCABADVRDAQX-UHFFFAOYSA-N 0 1 294.398 3.510 20 0 CHADMN CCCC1CCC(NCc2nnc(CC)s2)CC1 ZINC000353123801 335748280 /nfs/dbraw/zinc/74/82/80/335748280.db2.gz QSRZIBIOGKFWBK-UHFFFAOYSA-N 0 1 267.442 3.549 20 0 CHADMN CCc1cccc(OCCN[C@@H](C)c2nc(C)cs2)c1 ZINC000184174080 335919661 /nfs/dbraw/zinc/91/96/61/335919661.db2.gz JAUIOFZGWPTPIW-ZDUSSCGKSA-N 0 1 290.432 3.744 20 0 CHADMN CC[C@@H](NCc1ccc(C)c(OC)c1)c1c(C)noc1C ZINC000194398316 336019695 /nfs/dbraw/zinc/01/96/95/336019695.db2.gz VNPTZSCKDFFGHF-OAHLLOKOSA-N 0 1 288.391 3.849 20 0 CHADMN C[C@H](O)[C@@H](N[C@@H](C)c1ccc(F)cc1)c1ccccc1F ZINC000581195385 336022956 /nfs/dbraw/zinc/02/29/56/336022956.db2.gz KGYHPIIYHKOIAH-NVGCLXPQSA-N 0 1 291.341 3.738 20 0 CHADMN CC[C@@H]1CC[C@H]1N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000581217921 336026066 /nfs/dbraw/zinc/02/60/66/336026066.db2.gz NMNSQOIYMNEQKG-MISXGVKJSA-N 0 1 289.354 3.715 20 0 CHADMN CC[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1Cl ZINC000581318379 336047784 /nfs/dbraw/zinc/04/77/84/336047784.db2.gz OZROATGCGBVXQT-UHFFFAOYSA-N 0 1 291.826 3.528 20 0 CHADMN C[C@H](NCc1cccc(OC(F)F)c1)c1ccco1 ZINC000195322175 336051724 /nfs/dbraw/zinc/05/17/24/336051724.db2.gz AQUMOKSZVBFCAC-JTQLQIEISA-N 0 1 267.275 3.732 20 0 CHADMN CCC[N@H+](CC(=O)c1c[nH]c2ccccc12)CC(C)C ZINC000381143341 336052176 /nfs/dbraw/zinc/05/21/76/336052176.db2.gz KBKQSMIMGGXNOH-UHFFFAOYSA-N 0 1 272.392 3.719 20 0 CHADMN Fc1cccc(Cl)c1CN1CC[C@@H](c2ccncc2)C1 ZINC000581348641 336056560 /nfs/dbraw/zinc/05/65/60/336056560.db2.gz GZNUHANGISUIJK-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN COC(=O)c1cccc(CN2C[C@H](C)CC[C@@H]2C)c1Cl ZINC000381741795 336072178 /nfs/dbraw/zinc/07/21/78/336072178.db2.gz URTWVGIGJZWUFI-NEPJUHHUSA-N 0 1 295.810 3.747 20 0 CHADMN C[C@@H](C[N@@H+](Cc1ccc(C2CCC2)cc1)C1CC1)C(=O)[O-] ZINC000581494198 336089398 /nfs/dbraw/zinc/08/93/98/336089398.db2.gz ALGMHSNDCUIJRR-ZDUSSCGKSA-N 0 1 287.403 3.639 20 0 CHADMN Cc1nsc(C)c1CN1CCC[C@H](C(F)(F)F)C1 ZINC000581615542 336112929 /nfs/dbraw/zinc/11/29/29/336112929.db2.gz KMSVEGFLQMFUPN-JTQLQIEISA-N 0 1 278.343 3.534 20 0 CHADMN Cc1cccc(C)c1CNc1cc2c(cn1)CCC2 ZINC000581620966 336113932 /nfs/dbraw/zinc/11/39/32/336113932.db2.gz VXLKYBCOTOYSDE-UHFFFAOYSA-N 0 1 252.361 3.799 20 0 CHADMN Fc1ccc(CN[C@H]2CCC[C@H]2F)cc1C(F)(F)F ZINC000581620823 336114007 /nfs/dbraw/zinc/11/40/07/336114007.db2.gz OSSBEROMQAYNGS-NEPJUHHUSA-N 0 1 279.252 3.825 20 0 CHADMN C[C@H](N[C@H](c1cccnc1)C1CC1)c1cn2ccccc2n1 ZINC000581677289 336127211 /nfs/dbraw/zinc/12/72/11/336127211.db2.gz VYMCIYTZKWYXJZ-UGSOOPFHSA-N 0 1 292.386 3.531 20 0 CHADMN Cc1cccc(CN[C@@H]2CCc3ccccc32)c1F ZINC000384695570 336129470 /nfs/dbraw/zinc/12/94/70/336129470.db2.gz XXCHZJKBOCZQTC-MRXNPFEDSA-N 0 1 255.336 3.911 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000581731914 336139622 /nfs/dbraw/zinc/13/96/22/336139622.db2.gz VSNYTYMDGXWSTD-WCQYABFASA-N 0 1 281.421 3.847 20 0 CHADMN c1sc(-c2ccccc2)nc1CN[C@@H]1CCCSC1 ZINC000581901939 336163804 /nfs/dbraw/zinc/16/38/04/336163804.db2.gz VERDHKOVWUTCAT-CYBMUJFWSA-N 0 1 290.457 3.795 20 0 CHADMN C[C@H](CCC(C)(C)C)NC(=O)c1ccc(O)c(Cl)c1 ZINC000386341028 336171147 /nfs/dbraw/zinc/17/11/47/336171147.db2.gz LMWSUKJNWCEWFQ-SNVBAGLBSA-N 0 1 283.799 3.990 20 0 CHADMN COc1ccc(-c2nc3ccc(C)c(C)c3[nH]2)cc1OC ZINC000386346431 336171475 /nfs/dbraw/zinc/17/14/75/336171475.db2.gz KUSLBCJHSNTFHO-UHFFFAOYSA-N 0 1 282.343 3.864 20 0 CHADMN CC[C@H](C)[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)[O-])cn1 ZINC000387177137 336187132 /nfs/dbraw/zinc/18/71/32/336187132.db2.gz COTYLUIQQGJHBP-AWEZNQCLSA-N 0 1 298.386 3.581 20 0 CHADMN C[C@H]1CC[C@@H](c2ccccc2)N(CC(=O)c2cccn2C)C1 ZINC000352797741 533718563 /nfs/dbraw/zinc/71/85/63/533718563.db2.gz BORXTWFYALASKJ-RDJZCZTQSA-N 0 1 296.414 3.681 20 0 CHADMN CCCN(Cc1nc(C(F)(F)F)cs1)CC1CC1 ZINC000130665688 521693049 /nfs/dbraw/zinc/69/30/49/521693049.db2.gz HANMTRYEFPUXSO-UHFFFAOYSA-N 0 1 278.343 3.784 20 0 CHADMN C[C@H]1CC[C@@H]1NCc1csc(COc2ccccc2)n1 ZINC000353142102 533726479 /nfs/dbraw/zinc/72/64/79/533726479.db2.gz REYRJVSNOQBCET-WFASDCNBSA-N 0 1 288.416 3.610 20 0 CHADMN COc1cccc2c1CC[C@H]2NCc1ccc(Cl)o1 ZINC000344904296 533873821 /nfs/dbraw/zinc/87/38/21/533873821.db2.gz VIYQLHINWMJTTI-CYBMUJFWSA-N 0 1 277.751 3.719 20 0 CHADMN CCc1nc2c(s1)[C@@H](N(C)CCC(=O)C(C)C)CCC2 ZINC000290083303 522470185 /nfs/dbraw/zinc/47/01/85/522470185.db2.gz WSHUMAGJEQKZBZ-ZDUSSCGKSA-N 0 1 294.464 3.630 20 0 CHADMN C[C@H](NCc1ncccc1N(C)C)c1ccc(Cl)cc1 ZINC000353187757 533947174 /nfs/dbraw/zinc/94/71/74/533947174.db2.gz GEMTZGQKVRWWIX-LBPRGKRZSA-N 0 1 289.810 3.652 20 0 CHADMN C[C@H](N[C@H]1CC[C@H]1C)c1nc(C(F)(F)F)cs1 ZINC000353798114 534013736 /nfs/dbraw/zinc/01/37/36/534013736.db2.gz UFKSAPVCSRQXJB-CSMHCCOUSA-N 0 1 264.316 3.611 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N(C)CC[C@H]1CCCCO1 ZINC000347387149 534039984 /nfs/dbraw/zinc/03/99/84/534039984.db2.gz RHJCCTJNCYHGOI-QWHCGFSZSA-N 0 1 283.362 3.917 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1CCCC1(C)C ZINC000332189696 534128963 /nfs/dbraw/zinc/12/89/63/534128963.db2.gz AQBHWSWSUVDCAE-LBPRGKRZSA-N 0 1 271.364 3.636 20 0 CHADMN c1c2cccnc2oc1CN[C@H]1CCCOc2ccccc21 ZINC000449118438 518203728 /nfs/dbraw/zinc/20/37/28/518203728.db2.gz XTRNNPAOSQCWSR-INIZCTEOSA-N 0 1 294.354 3.831 20 0 CHADMN Brc1cc2c(s1)CC[C@H]2NCc1ccoc1 ZINC000293043197 518208033 /nfs/dbraw/zinc/20/80/33/518208033.db2.gz AAHYOYSXLDNBFO-SNVBAGLBSA-N 0 1 298.205 3.881 20 0 CHADMN Cc1nc(CNC/C=C\c2ccc(F)c(F)c2)sc1C ZINC000352750108 534385063 /nfs/dbraw/zinc/38/50/63/534385063.db2.gz PMHKCSWPEKPNOK-ARJAWSKDSA-N 0 1 294.370 3.841 20 0 CHADMN CC(C)(C)SCC(=O)Nc1cc(F)cc(Cl)c1O ZINC000274701292 518905807 /nfs/dbraw/zinc/90/58/07/518905807.db2.gz NRBBFFIQTUAMCJ-UHFFFAOYSA-N 0 1 291.775 3.655 20 0 CHADMN CC(C)(C)[C@@H]1CCCN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000265674315 518940918 /nfs/dbraw/zinc/94/09/18/518940918.db2.gz RSUQOKVONPNJPZ-HNNXBMFYSA-N 0 1 297.402 3.727 20 0 CHADMN CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cccc([O-])c2Cl)CCO1 ZINC000293215620 518983156 /nfs/dbraw/zinc/98/31/56/518983156.db2.gz JNSOUABEKNMCBM-TZMCWYRMSA-N 0 1 297.826 3.729 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2ccc(F)cc2Cl)n1 ZINC000339385361 519228247 /nfs/dbraw/zinc/22/82/47/519228247.db2.gz PGIYVVUIWHTSSU-LLVKDONJSA-N 0 1 283.734 3.575 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cc(Cl)ccc2F)n1 ZINC000339368524 519229056 /nfs/dbraw/zinc/22/90/56/519229056.db2.gz VUGHZHUJMFOHDI-LLVKDONJSA-N 0 1 283.734 3.575 20 0 CHADMN CC(C)C[C@@H](N)c1noc(/C=C\c2c(F)cccc2F)n1 ZINC000339384341 519229990 /nfs/dbraw/zinc/22/99/90/519229990.db2.gz FCUULCZHMPYMMU-FMFIFOJESA-N 0 1 293.317 3.564 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C(C)(C)c2ccc(F)cc2)n1 ZINC000339386296 519230661 /nfs/dbraw/zinc/23/06/61/519230661.db2.gz AVMGEKDIRLLACL-CYBMUJFWSA-N 0 1 291.370 3.581 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C[C@@H]2CCCc3ccccc32)n1 ZINC000339397248 519234855 /nfs/dbraw/zinc/23/48/55/519234855.db2.gz RKQUBJCYUNLWLB-GOEBONIOSA-N 0 1 299.418 3.778 20 0 CHADMN CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cccc([O-])c2Cl)CCO1 ZINC000293139975 519279634 /nfs/dbraw/zinc/27/96/34/519279634.db2.gz CUXCCHOTWDMTGG-ZIAGYGMSSA-N 0 1 297.826 3.729 20 0 CHADMN CC(C)C[C@H](N)c1noc(C(C)(C)c2cccs2)n1 ZINC000339385359 519373531 /nfs/dbraw/zinc/37/35/31/519373531.db2.gz PFOUZWCKJVMXMH-JTQLQIEISA-N 0 1 279.409 3.503 20 0 CHADMN CC(C)C[C@H](N)c1noc(C(C)(C)c2cccc(F)c2)n1 ZINC000339389029 519374208 /nfs/dbraw/zinc/37/42/08/519374208.db2.gz CUOKAPJOUGONGZ-ZDUSSCGKSA-N 0 1 291.370 3.581 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2sccc2C2CC2)n1 ZINC000339362742 519374539 /nfs/dbraw/zinc/37/45/39/519374539.db2.gz PJHNZCYMVFMMGC-NSHDSACASA-N 0 1 277.393 3.721 20 0 CHADMN CC(C)C[C@H](N)c1noc(C[C@H](C)c2ccccc2F)n1 ZINC000339394995 519375707 /nfs/dbraw/zinc/37/57/07/519375707.db2.gz JWENJDSCRUOBQG-FZMZJTMJSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H](C)c2cccc(Cl)c2)n1 ZINC000339388728 519380686 /nfs/dbraw/zinc/38/06/86/519380686.db2.gz JDYYFLHYCWILOE-MFKMUULPSA-N 0 1 293.798 3.921 20 0 CHADMN CC(C)N(C(=O)CN1CCC[C@H]1c1cccs1)C(C)C ZINC000066562898 519553341 /nfs/dbraw/zinc/55/33/41/519553341.db2.gz IKGWOAJJXAVNHL-AWEZNQCLSA-N 0 1 294.464 3.530 20 0 CHADMN CC(C)O[C@@H](CN(C)Cc1cccnc1)c1ccccc1 ZINC000293195754 519776725 /nfs/dbraw/zinc/77/67/25/519776725.db2.gz OQVIITWPMRHQSG-SFHVURJKSA-N 0 1 284.403 3.680 20 0 CHADMN CC(C)[C@@H]1CN([C@@H](C)c2nc3ccccc3o2)CCCO1 ZINC000293098570 519804679 /nfs/dbraw/zinc/80/46/79/519804679.db2.gz KWANWZJYIACMEQ-BBRMVZONSA-N 0 1 288.391 3.636 20 0 CHADMN CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)CCCC(=O)[O-] ZINC000116402442 519824220 /nfs/dbraw/zinc/82/42/20/519824220.db2.gz YTAMJIWSKFLMEB-OAHLLOKOSA-N 0 1 283.799 3.834 20 0 CHADMN CC(C)c1ccc([C@H](C)NC(=O)[C@@H](N)c2ccccc2)cc1 ZINC000236748863 519839919 /nfs/dbraw/zinc/83/99/19/519839919.db2.gz PWPIKEYABMQFQS-KSSFIOAISA-N 0 1 296.414 3.687 20 0 CHADMN CC(C)c1ccc([C@H](C)NC(=O)[C@H](N)c2ccccc2)cc1 ZINC000236748925 519840000 /nfs/dbraw/zinc/84/00/00/519840000.db2.gz PWPIKEYABMQFQS-KBXCAEBGSA-N 0 1 296.414 3.687 20 0 CHADMN CC(C)c1cnc(CN[C@@H]2CCC[C@H]2OC(F)F)s1 ZINC000337285786 519851068 /nfs/dbraw/zinc/85/10/68/519851068.db2.gz KFWJJRJKQNJPCH-NXEZZACHSA-N 0 1 290.379 3.516 20 0 CHADMN CCC1CCC(N(C)Cc2ncnn2-c2ccccc2)CC1 ZINC000337188633 519853157 /nfs/dbraw/zinc/85/31/57/519853157.db2.gz QNAXUJYPLHLEBS-UHFFFAOYSA-N 0 1 298.434 3.668 20 0 CHADMN CCCC(CCC)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000236780392 519884205 /nfs/dbraw/zinc/88/42/05/519884205.db2.gz QLMLFEKKOWJZBH-LLVKDONJSA-N 0 1 267.417 3.987 20 0 CHADMN CCCCC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000061234876 519907032 /nfs/dbraw/zinc/90/70/32/519907032.db2.gz NBQIYXXBYDBURT-OAHLLOKOSA-N 0 1 285.391 3.725 20 0 CHADMN CC(C)c1noc([C@H](C)N(C)C[C@H](C)c2ccccc2)n1 ZINC000263893807 519910103 /nfs/dbraw/zinc/91/01/03/519910103.db2.gz VGJBQDFVYBJBJF-KBPBESRZSA-N 0 1 287.407 3.990 20 0 CHADMN CC(C)n1cc(CNCc2coc3ccccc23)cn1 ZINC000265191840 519956004 /nfs/dbraw/zinc/95/60/04/519956004.db2.gz YKQPHAPWGBAVEH-UHFFFAOYSA-N 0 1 269.348 3.500 20 0 CHADMN Fc1ccc(CNCc2cccc(-c3cccnc3)c2)nc1 ZINC000344909942 534467387 /nfs/dbraw/zinc/46/73/87/534467387.db2.gz VFORMIJOKHQMEX-UHFFFAOYSA-N 0 1 293.345 3.573 20 0 CHADMN Fc1ccc(CNCc2cccc3ccccc32)nc1 ZINC000344935195 534467639 /nfs/dbraw/zinc/46/76/39/534467639.db2.gz WTFQTITZNDKKDY-UHFFFAOYSA-N 0 1 266.319 3.664 20 0 CHADMN CC(C)n1nccc1CN(C)CC1(c2ccccc2)CC1 ZINC000280531201 520096264 /nfs/dbraw/zinc/09/62/64/520096264.db2.gz ILOUQTNBHUEMRM-UHFFFAOYSA-N 0 1 283.419 3.628 20 0 CHADMN CCN(C(=O)c1cccc2[nH]c(C)nc21)[C@H]1CCCC[C@@H]1C ZINC000338537113 520102854 /nfs/dbraw/zinc/10/28/54/520102854.db2.gz RFLNBHHUAKAQHB-LRDDRELGSA-N 0 1 299.418 3.912 20 0 CHADMN CCN(C(=O)c1cccc2[nH]c(C)nc21)[C@H]1CCCC[C@H]1C ZINC000338537117 520104147 /nfs/dbraw/zinc/10/41/47/520104147.db2.gz RFLNBHHUAKAQHB-WBMJQRKESA-N 0 1 299.418 3.912 20 0 CHADMN CCCCC[C@H]1CCCN1C(=O)c1ccc2cncn2c1 ZINC000339961533 520315832 /nfs/dbraw/zinc/31/58/32/520315832.db2.gz XWNINHFDPLNGNJ-HNNXBMFYSA-N 0 1 285.391 3.519 20 0 CHADMN CCCOc1ncccc1CNCc1ccsc1C ZINC000339204678 520500710 /nfs/dbraw/zinc/50/07/10/520500710.db2.gz SDRWSQAICIYNRK-UHFFFAOYSA-N 0 1 276.405 3.530 20 0 CHADMN CCC[C@@H](N[C@H](C)c1ccnn1C)c1ccc(F)cc1F ZINC000192955546 520793477 /nfs/dbraw/zinc/79/34/77/520793477.db2.gz GJTXEVFRGGQUCC-IAQYHMDHSA-N 0 1 293.361 3.890 20 0 CHADMN Fc1cccc(CN2CCC[C@H]2c2cccnc2)c1 ZINC000346973346 534517439 /nfs/dbraw/zinc/51/74/39/534517439.db2.gz DGDBHWDZAOBNDF-INIZCTEOSA-N 0 1 256.324 3.558 20 0 CHADMN CCC[C@@](C)(N)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000036865005 520920701 /nfs/dbraw/zinc/92/07/01/520920701.db2.gz KHGIAZHIIBRFSO-CYBMUJFWSA-N 0 1 299.296 3.729 20 0 CHADMN CCOc1ccc(CN(C)[C@H](C)c2ccncc2)cc1F ZINC000278701587 520965120 /nfs/dbraw/zinc/96/51/20/520965120.db2.gz PGYAFQWMYGRAJB-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN CCCC[C@@H](C)N(C)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000291921692 520999239 /nfs/dbraw/zinc/99/92/39/520999239.db2.gz AZNYKURIZYJKKT-GFCCVEGCSA-N 0 1 273.380 3.522 20 0 CHADMN CCN(Cc1cccs1)Cc1cccc(Cl)n1 ZINC000075591793 521406830 /nfs/dbraw/zinc/40/68/30/521406830.db2.gz OEHKECOSSHEKBT-UHFFFAOYSA-N 0 1 266.797 3.819 20 0 CHADMN CCOc1cccc([C@H](C)NCc2occc2C)c1 ZINC000266229321 521423024 /nfs/dbraw/zinc/42/30/24/521423024.db2.gz UEIVMJZBYLIMPG-ZDUSSCGKSA-N 0 1 259.349 3.838 20 0 CHADMN CCN(Cc1nc(-c2cccs2)oc1C)C[C@H](C)OC ZINC000291345123 521444601 /nfs/dbraw/zinc/44/46/01/521444601.db2.gz XEPDLMYBVDZIHP-NSHDSACASA-N 0 1 294.420 3.568 20 0 CHADMN Cc1occc1CN(C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000352673205 534566464 /nfs/dbraw/zinc/56/64/64/534566464.db2.gz MZPVBAIRJSIZBL-UHFFFAOYSA-N 0 1 285.387 3.934 20 0 CHADMN CCCc1nc(C)c(CN[C@@H](C)c2ccc(OC)cc2)o1 ZINC000293221216 521497268 /nfs/dbraw/zinc/49/72/68/521497268.db2.gz AMBRYIFTRONHAA-LBPRGKRZSA-N 0 1 288.391 3.795 20 0 CHADMN CCOc1ccccc1CNCc1cccc(F)c1 ZINC000020473473 521502685 /nfs/dbraw/zinc/50/26/85/521502685.db2.gz FICDSMZOQRBCAU-UHFFFAOYSA-N 0 1 259.324 3.514 20 0 CHADMN CCC(CC)CN(CC)Cc1ncnn1-c1ccccc1 ZINC000337133576 521520935 /nfs/dbraw/zinc/52/09/35/521520935.db2.gz MGAULBGLIFJPDA-UHFFFAOYSA-N 0 1 286.423 3.525 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1ccoc1C ZINC000358016233 521572182 /nfs/dbraw/zinc/57/21/82/521572182.db2.gz LZJUXMLKWGYQIH-GFCCVEGCSA-N 0 1 259.349 3.838 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1ccnn1C(C)C ZINC000279864121 521573845 /nfs/dbraw/zinc/57/38/45/521573845.db2.gz JESCDBUCJMAJEX-CQSZACIVSA-N 0 1 287.407 3.714 20 0 CHADMN CCCN(CC)Cc1csc(-c2ccoc2)n1 ZINC000264468762 521615018 /nfs/dbraw/zinc/61/50/18/521615018.db2.gz MSTSOPXXOOWSQM-UHFFFAOYSA-N 0 1 250.367 3.635 20 0 CHADMN CCOC1CC2(C1)CCN(Cc1cc(F)cc(Cl)c1)C2 ZINC000289671416 521654167 /nfs/dbraw/zinc/65/41/67/521654167.db2.gz NOFXKJKTMPAFCE-UHFFFAOYSA-N 0 1 297.801 3.870 20 0 CHADMN CCOCC(C)(C)NCc1ncc(-c2ccccc2)s1 ZINC000339373130 521671138 /nfs/dbraw/zinc/67/11/38/521671138.db2.gz RNRSKHRJUSYMGN-UHFFFAOYSA-N 0 1 290.432 3.715 20 0 CHADMN CCC1(C)CCN(Cc2nnc(-c3ccccc3)o2)CC1 ZINC000263717259 521678478 /nfs/dbraw/zinc/67/84/78/521678478.db2.gz NXGPTRIYGGSKKX-UHFFFAOYSA-N 0 1 285.391 3.749 20 0 CHADMN CC[C@H](C)Oc1cccc(NCc2[nH]ncc2C)c1 ZINC000289413392 521780101 /nfs/dbraw/zinc/78/01/01/521780101.db2.gz AOEMIMTVWQPRHQ-LBPRGKRZSA-N 0 1 259.353 3.508 20 0 CHADMN CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000299397801 521910228 /nfs/dbraw/zinc/91/02/28/521910228.db2.gz CVBMPOOIFSENQP-DOMZBBRYSA-N 0 1 285.391 3.581 20 0 CHADMN Cc1nc([C@H](C)NCC(C)(C)c2ncccc2C)cs1 ZINC000353572962 534598809 /nfs/dbraw/zinc/59/88/09/534598809.db2.gz GHYIOOOYCCOWCT-LBPRGKRZSA-N 0 1 289.448 3.783 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2ccc(F)c(C)c2)n[nH]1 ZINC000277452570 522053102 /nfs/dbraw/zinc/05/31/02/522053102.db2.gz PMRVOIBTFHKWHZ-JQWIXIFHSA-N 0 1 290.386 3.617 20 0 CHADMN Cc1nc([C@H]2CCCN2C[C@@H]2CCC(C)(C)O2)cs1 ZINC000334591620 534607643 /nfs/dbraw/zinc/60/76/43/534607643.db2.gz ZLJJZHPTGKBAFM-GXTWGEPZSA-N 0 1 280.437 3.546 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2ccc(C)c(F)c2)n[nH]1 ZINC000277163697 522053622 /nfs/dbraw/zinc/05/36/22/522053622.db2.gz HACLQDBCTHLLQO-CMPLNLGQSA-N 0 1 290.386 3.617 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2c3ccccc3C[C@H]2C)o1 ZINC000291935257 522207880 /nfs/dbraw/zinc/20/78/80/522207880.db2.gz PFJOHGBGVUJQNA-DIFFPNOSSA-N 0 1 270.376 3.569 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2CCCNc3ccccc32)o1 ZINC000291911991 522209683 /nfs/dbraw/zinc/20/96/83/522209683.db2.gz MUPUHUSVFHFTGD-OAHLLOKOSA-N 0 1 285.391 3.582 20 0 CHADMN CN(C)c1ccccc1CN[C@@H]1CCCOc2ccccc21 ZINC000263852074 522291048 /nfs/dbraw/zinc/29/10/48/522291048.db2.gz OTYDXIGIIZKHOI-QGZVFWFLSA-N 0 1 296.414 3.756 20 0 CHADMN CCc1nc(CNCC2(C(F)(F)F)CCC2)cs1 ZINC000353095144 522341269 /nfs/dbraw/zinc/34/12/69/522341269.db2.gz KZPYUKWOSIIOID-UHFFFAOYSA-N 0 1 278.343 3.528 20 0 CHADMN CC[C@@H](C)[C@H](C)N(C(=O)c1cc(C(C)C)[nH]n1)C1CC1 ZINC000264100577 522352117 /nfs/dbraw/zinc/35/21/17/522352117.db2.gz AQVBLBGCXWYMNF-NEPJUHHUSA-N 0 1 277.412 3.572 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1ncc(C2CC2)o1)C1CC1 ZINC000340855102 522352953 /nfs/dbraw/zinc/35/29/53/522352953.db2.gz ZEZCUNBNYPSKFI-NEPJUHHUSA-N 0 1 262.397 3.951 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1ncnn1-c1ccccc1)C1CC1 ZINC000337142808 522352796 /nfs/dbraw/zinc/35/27/96/522352796.db2.gz UNPOCFPEMVVYLV-CABCVRRESA-N 0 1 298.434 3.666 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2cc(C)cc(C)c2)n[nH]1 ZINC000277427555 522438843 /nfs/dbraw/zinc/43/88/43/522438843.db2.gz NDZPKYJTAOKMBD-ZIAGYGMSSA-N 0 1 286.423 3.786 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2cccc(C)c2C)n[nH]1 ZINC000277547487 522440057 /nfs/dbraw/zinc/44/00/57/522440057.db2.gz ZSPYDRVNNCXWIR-BXUZGUMPSA-N 0 1 286.423 3.786 20 0 CHADMN COc1cc(Cl)c(Cl)cc1NCc1[nH]ncc1C ZINC000289631208 522526433 /nfs/dbraw/zinc/52/64/33/522526433.db2.gz WZCWDXHPTIOOHQ-UHFFFAOYSA-N 0 1 286.162 3.646 20 0 CHADMN Cc1cnc([C@H](C)N2CC[C@@H](c3ccc(F)cc3)C2)o1 ZINC000336484811 534645700 /nfs/dbraw/zinc/64/57/00/534645700.db2.gz VTIQUNZQQDEFCQ-GXTWGEPZSA-N 0 1 274.339 3.673 20 0 CHADMN CC[C@H](NCCF)c1cc(F)cc(Br)c1 ZINC000309097629 522591258 /nfs/dbraw/zinc/59/12/58/522591258.db2.gz FMBVKYXKWOBXCP-NSHDSACASA-N 0 1 278.140 3.598 20 0 CHADMN CC[C@H](NCc1ccnc(C)n1)c1ccc(Cl)s1 ZINC000339256676 522659923 /nfs/dbraw/zinc/65/99/23/522659923.db2.gz LGNDNLVKQSAAQE-NSHDSACASA-N 0 1 281.812 3.741 20 0 CHADMN CC[C@H](NCc1n[nH]c(C(C)C)n1)c1cccc(Cl)c1 ZINC000293131620 522666998 /nfs/dbraw/zinc/66/69/98/522666998.db2.gz LGSMVKCHCXJMCE-ZDUSSCGKSA-N 0 1 292.814 3.822 20 0 CHADMN CC[C@H](N[C@@H](C(=O)N(C)C)c1ccccc1)c1ccccc1 ZINC000265287834 522684751 /nfs/dbraw/zinc/68/47/51/522684751.db2.gz YQXFUPJGOIAZEU-ZWKOTPCHSA-N 0 1 296.414 3.557 20 0 CHADMN COC1CCN(Cc2c(Cl)oc3ccccc32)CC1 ZINC000271035672 522705141 /nfs/dbraw/zinc/70/51/41/522705141.db2.gz JPGGSQKLBBATHX-UHFFFAOYSA-N 0 1 279.767 3.697 20 0 CHADMN Clc1ccsc1CN1CCC(c2c[nH]cn2)CC1 ZINC000336575933 534655141 /nfs/dbraw/zinc/65/51/41/534655141.db2.gz CBQZDWGMSGJSHO-UHFFFAOYSA-N 0 1 281.812 3.504 20 0 CHADMN CN(CCCCO)Cc1cc(C(F)(F)F)ccc1Cl ZINC000276635043 522737379 /nfs/dbraw/zinc/73/73/79/522737379.db2.gz KCWDQUDZGDUGSN-UHFFFAOYSA-N 0 1 295.732 3.563 20 0 CHADMN CC[C@H](N[C@H](C)c1n[nH]c(C(C)C)n1)c1cccc(F)c1 ZINC000275916594 522745268 /nfs/dbraw/zinc/74/52/68/522745268.db2.gz VJCYRZKTOPQEDA-RISCZKNCSA-N 0 1 290.386 3.869 20 0 CHADMN CCc1nc(S[C@H](C)c2ccc(Cl)cc2)n[nH]1 ZINC000299095348 522786230 /nfs/dbraw/zinc/78/62/30/522786230.db2.gz UWZWFJZTKZQWIT-MRVPVSSYSA-N 0 1 267.785 3.874 20 0 CHADMN CCc1n[nH]c(S[C@H](C)c2ccc(Cl)cc2)n1 ZINC000299095348 522786231 /nfs/dbraw/zinc/78/62/31/522786231.db2.gz UWZWFJZTKZQWIT-MRVPVSSYSA-N 0 1 267.785 3.874 20 0 CHADMN CCc1noc(C)c1CNCc1ccc(SC)cc1 ZINC000293047062 522845039 /nfs/dbraw/zinc/84/50/39/522845039.db2.gz SUGMTLNCJWTSJH-UHFFFAOYSA-N 0 1 276.405 3.557 20 0 CHADMN CCc1noc(C)c1CNCc1ccc2occc2c1 ZINC000293131872 522846185 /nfs/dbraw/zinc/84/61/85/522846185.db2.gz ZWRPARSZFQSLMS-UHFFFAOYSA-N 0 1 270.332 3.581 20 0 CHADMN CCc1noc(C)c1CNCc1cccn1CCC(C)C ZINC000339436878 522846254 /nfs/dbraw/zinc/84/62/54/522846254.db2.gz HLJVBXXEUVXDKO-UHFFFAOYSA-N 0 1 289.423 3.683 20 0 CHADMN CC[C@@H](NCc1ccc(C2CCC2)cc1)c1nccn1C ZINC000277140507 522875494 /nfs/dbraw/zinc/87/54/94/522875494.db2.gz CVHRJNCWKQGAKI-QGZVFWFLSA-N 0 1 283.419 3.929 20 0 CHADMN CCc1noc(CC)c1CNCc1cccc2cc[nH]c21 ZINC000237084410 522893466 /nfs/dbraw/zinc/89/34/66/522893466.db2.gz LNZHAAITZZZCIR-UHFFFAOYSA-N 0 1 283.375 3.571 20 0 CHADMN CC[C@@H](NCc1ncccc1N(C)C)c1ccc(F)cc1 ZINC000289630137 522896291 /nfs/dbraw/zinc/89/62/91/522896291.db2.gz FDLMDZKPXTVMCZ-OAHLLOKOSA-N 0 1 287.382 3.528 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1Cl)N1CC[C@@H](CO)C1 ZINC000275729991 522930089 /nfs/dbraw/zinc/93/00/89/522930089.db2.gz UGCDRGCQVYMDTA-QMTHXVAHSA-N 0 1 288.218 3.759 20 0 CHADMN CC[C@H](c1ccccc1)N(CC)Cc1cn2cccnc2n1 ZINC000299380417 522944600 /nfs/dbraw/zinc/94/46/00/522944600.db2.gz HAZBXXDTJMFUCS-QGZVFWFLSA-N 0 1 294.402 3.703 20 0 CHADMN COCc1ccc(CNC(C)(C)c2cccc(C)c2)o1 ZINC000128396033 522984461 /nfs/dbraw/zinc/98/44/61/522984461.db2.gz SMMIGVFZURDKRP-UHFFFAOYSA-N 0 1 273.376 3.759 20 0 CHADMN COCCC1(CN[C@@H](C)c2ncc(C)o2)CCCCC1 ZINC000337212628 523064567 /nfs/dbraw/zinc/06/45/67/523064567.db2.gz BEPNHRHCGOVTGS-AWEZNQCLSA-N 0 1 280.412 3.621 20 0 CHADMN CC[C@H]1CCN(Cc2csc(-c3ccoc3)n2)C1 ZINC000125689550 523164101 /nfs/dbraw/zinc/16/41/01/523164101.db2.gz WPQRQWXEPJHPOI-NSHDSACASA-N 0 1 262.378 3.635 20 0 CHADMN CN(Cc1cc(-c2cccs2)on1)CC1CCC1 ZINC000111298013 523164335 /nfs/dbraw/zinc/16/43/35/523164335.db2.gz LDFMVLSYXFVAPF-UHFFFAOYSA-N 0 1 262.378 3.635 20 0 CHADMN CN(Cc1ccc(Cl)s1)C[C@@H](O)c1ccccc1 ZINC000042207604 523237553 /nfs/dbraw/zinc/23/75/53/523237553.db2.gz RUDJJFFGTHOOND-CYBMUJFWSA-N 0 1 281.808 3.567 20 0 CHADMN CN(Cc1ccccn1)[C@H]1CCc2c1cccc2Cl ZINC000275721864 523398767 /nfs/dbraw/zinc/39/87/67/523398767.db2.gz SOPZRQHYGUUTRT-INIZCTEOSA-N 0 1 272.779 3.854 20 0 CHADMN CN(Cc1cccn1C)Cc1ccc(Cl)c2cccnc12 ZINC000156822206 523410988 /nfs/dbraw/zinc/41/09/88/523410988.db2.gz MNUVSVNTBJYIKV-UHFFFAOYSA-N 0 1 299.805 3.859 20 0 CHADMN CCn1cc([C@H](C)NCc2ccc(F)c(Cl)c2)cn1 ZINC000053149608 523472318 /nfs/dbraw/zinc/47/23/18/523472318.db2.gz ZGJUXBPSJZVMOZ-JTQLQIEISA-N 0 1 281.762 3.546 20 0 CHADMN CCn1cnnc1CN[C@H](c1ccc(C)cc1)C1CCCC1 ZINC000275839819 523593640 /nfs/dbraw/zinc/59/36/40/523593640.db2.gz JEDISECYGHMZRO-SFHVURJKSA-N 0 1 298.434 3.628 20 0 CHADMN CO[C@@H]1CCCN([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000363678371 523605693 /nfs/dbraw/zinc/60/56/93/523605693.db2.gz UBBFYBPOEJVROI-CHWSQXEVSA-N 0 1 280.412 3.534 20 0 CHADMN CO[C@@H]1CCN(Cc2cc(C)ccc2OC(F)F)[C@H](C)C1 ZINC000292956697 523684928 /nfs/dbraw/zinc/68/49/28/523684928.db2.gz VSSDPSCSDHJKPR-TZMCWYRMSA-N 0 1 299.361 3.596 20 0 CHADMN CCn1nccc1CN[C@@H]1CCCc2sc(Cl)cc21 ZINC000291724111 523729499 /nfs/dbraw/zinc/72/94/99/523729499.db2.gz MZKJCYOGDFHBDT-GFCCVEGCSA-N 0 1 295.839 3.785 20 0 CHADMN CO[C@H](CN(C)Cc1ccccc1F)c1ccccc1 ZINC000338545343 523930517 /nfs/dbraw/zinc/93/05/17/523930517.db2.gz APCGOVYKPSLHTP-QGZVFWFLSA-N 0 1 273.351 3.645 20 0 CHADMN CCc1ccc(CNCc2coc3ccccc23)cn1 ZINC000339407481 523944581 /nfs/dbraw/zinc/94/45/81/523944581.db2.gz NMBZDZNGYICMKC-UHFFFAOYSA-N 0 1 266.344 3.680 20 0 CHADMN COCCO[C@@H]1CCCN([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000340803825 524031462 /nfs/dbraw/zinc/03/14/62/524031462.db2.gz TZPWOYFRZPPTHL-XJKSGUPXSA-N 0 1 297.826 3.528 20 0 CHADMN COc1ccc(CNCc2cccc(Cl)c2)c(OC)c1 ZINC000048241758 524073627 /nfs/dbraw/zinc/07/36/27/524073627.db2.gz KPDVGUAKPVCIAN-UHFFFAOYSA-N 0 1 291.778 3.647 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(F)ccc2OC)cc1 ZINC000037089709 524089529 /nfs/dbraw/zinc/08/95/29/524089529.db2.gz VHKQWWWTIPCQQG-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN Cc1cc(C(C)(C)C)cc(C)c1C[N@H+](CC(=O)[O-])C(C)C ZINC000037995241 524198867 /nfs/dbraw/zinc/19/88/67/524198867.db2.gz LDAKCCXWFOATEU-UHFFFAOYSA-N 0 1 291.435 3.896 20 0 CHADMN C[C@H]1CCC[C@H](NC(=O)c2sccc2CN(C)C)CC1 ZINC000277072338 524208300 /nfs/dbraw/zinc/20/83/00/524208300.db2.gz IXCSBAQOANDFQP-JSGCOSHPSA-N 0 1 294.464 3.508 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1CC[C@H](C)[C@H]1C ZINC000248343965 524235508 /nfs/dbraw/zinc/23/55/08/524235508.db2.gz KYUFROJIOVFBTD-DZGCQCFKSA-N 0 1 288.435 3.787 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN[C@@H](C)c1cccs1 ZINC000340333278 524281360 /nfs/dbraw/zinc/28/13/60/524281360.db2.gz SOXPRSGVTXADHU-ZDUSSCGKSA-N 0 1 288.416 3.654 20 0 CHADMN C[C@H]1CCN(Cc2ccncc2)[C@H](c2ccco2)C1 ZINC000076184754 524297490 /nfs/dbraw/zinc/29/74/90/524297490.db2.gz MDKCFIGFPOFWGA-ZFWWWQNUSA-N 0 1 256.349 3.648 20 0 CHADMN C[C@H]1CCN(Cc2cccnc2)[C@H](c2ccco2)C1 ZINC000076184161 524299020 /nfs/dbraw/zinc/29/90/20/524299020.db2.gz AVWIKGWONGZZDQ-ZFWWWQNUSA-N 0 1 256.349 3.648 20 0 CHADMN Cc1ccc(CCCc2nc([C@H](N)CC(C)C)no2)s1 ZINC000339397219 524321838 /nfs/dbraw/zinc/32/18/38/524321838.db2.gz RAXGOIREGTUXRV-CYBMUJFWSA-N 0 1 293.436 3.661 20 0 CHADMN C[C@@H]1CCC[C@H](C)[C@H]1NCc1nc(Cc2ccccc2)no1 ZINC000245920345 524367882 /nfs/dbraw/zinc/36/78/82/524367882.db2.gz XNSYPPMZBXXWLT-UOIKSKOESA-N 0 1 299.418 3.575 20 0 CHADMN C[C@H]1CC[C@@H](NCc2ncccc2N(C)C)c2ccccc21 ZINC000289973551 524370117 /nfs/dbraw/zinc/37/01/17/524370117.db2.gz XMWBRBVXZXCYFO-WMLDXEAASA-N 0 1 295.430 3.876 20 0 CHADMN C[C@H]1CCc2c(F)cccc2[C@H]1NCc1ccco1 ZINC000080339555 524435228 /nfs/dbraw/zinc/43/52/28/524435228.db2.gz NOACZINIBVWQJF-ZBEGNZNMSA-N 0 1 259.324 3.832 20 0 CHADMN Cc1ccc(CNC2CC(F)(F)C2)c(Br)c1 ZINC000277590243 524569994 /nfs/dbraw/zinc/56/99/94/524569994.db2.gz HODHIWHKJOPMTK-UHFFFAOYSA-N 0 1 290.151 3.645 20 0 CHADMN Cc1ccc(CNCc2cc(F)c(F)c(F)c2)cc1 ZINC000062705707 524582589 /nfs/dbraw/zinc/58/25/89/524582589.db2.gz VUFCCFQQQNHABV-UHFFFAOYSA-N 0 1 265.278 3.702 20 0 CHADMN Cc1ccc(CNCc2ccc3c(n2)CCCC3)s1 ZINC000277654753 524584775 /nfs/dbraw/zinc/58/47/75/524584775.db2.gz FWHWGWBRMJAWCD-UHFFFAOYSA-N 0 1 272.417 3.620 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)no1 ZINC000289381880 524688357 /nfs/dbraw/zinc/68/83/57/524688357.db2.gz QDHYDZBIOYSKGO-INIZCTEOSA-N 0 1 296.374 3.505 20 0 CHADMN Cc1cc(CN2C[C@@H](C)C[C@H]2c2cccc(F)c2)ncn1 ZINC000292372406 524713885 /nfs/dbraw/zinc/71/38/85/524713885.db2.gz GQLCQDXUTVIAJM-SJCJKPOMSA-N 0 1 285.366 3.507 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@@H]1CCc2c1cccc2O ZINC000036852232 524725821 /nfs/dbraw/zinc/72/58/21/524725821.db2.gz PCWVXMHOAZMQAA-MLGOLLRUSA-N 0 1 283.371 3.739 20 0 CHADMN Cc1cccc(OCCCN[C@H](C)c2cscn2)c1C ZINC000279579915 524734110 /nfs/dbraw/zinc/73/41/10/524734110.db2.gz UIUFRRAMAAHYRV-CQSZACIVSA-N 0 1 290.432 3.880 20 0 CHADMN Cc1cccc(OCCCN[C@@H](C)c2cscn2)c1C ZINC000279579912 524734619 /nfs/dbraw/zinc/73/46/19/524734619.db2.gz UIUFRRAMAAHYRV-AWEZNQCLSA-N 0 1 290.432 3.880 20 0 CHADMN COc1ccnc(CN2CCC(c3ccsc3)CC2)c1 ZINC000275007774 524830654 /nfs/dbraw/zinc/83/06/54/524830654.db2.gz PEBGIZCWOARPNX-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN Cc1nn(C)c(C)c1CN1CC(C)(C)[C@H]1c1cccs1 ZINC000347577229 534818218 /nfs/dbraw/zinc/81/82/18/534818218.db2.gz HAKWUXKBIXXMCO-OAHLLOKOSA-N 0 1 289.448 3.682 20 0 CHADMN COc1cncc(CN(C)[C@H](C)c2ccc(C)cc2)c1 ZINC000290013055 524921495 /nfs/dbraw/zinc/92/14/95/524921495.db2.gz BUTWQGATSNCATH-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN COc1cncc(CN[C@H](C)c2cccc(Cl)c2)c1 ZINC000289941523 524923102 /nfs/dbraw/zinc/92/31/02/524923102.db2.gz OVHIGGBWXWVXNJ-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)c1occ2c1CCC2 ZINC000354762467 534820500 /nfs/dbraw/zinc/82/05/00/534820500.db2.gz NNTNUMSFFCHTKB-UHFFFAOYSA-N 0 1 295.697 3.519 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2F)N(Cc2cncs2)C1 ZINC000093531614 524943814 /nfs/dbraw/zinc/94/38/14/524943814.db2.gz NDHXMGPROKXNDY-XHDPSFHLSA-N 0 1 276.380 3.865 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)c1cccc(F)c1 ZINC000353888419 534821000 /nfs/dbraw/zinc/82/10/00/534821000.db2.gz KVFVUGLYBBYJTO-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN Cc1cc(F)ccc1CN[C@@H]1CCOc2ccc(F)cc21 ZINC000068985448 524979060 /nfs/dbraw/zinc/97/90/60/524979060.db2.gz WFMBXEXKYWPILY-MRXNPFEDSA-N 0 1 289.325 3.887 20 0 CHADMN COc1nccc(CN[C@H](C)c2cc3ccccc3s2)n1 ZINC000295287413 525029209 /nfs/dbraw/zinc/02/92/09/525029209.db2.gz WRSFRIMDWWIVON-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN COc1ncccc1CN[C@@H](C)c1ccccc1SC ZINC000194845471 525059156 /nfs/dbraw/zinc/05/91/56/525059156.db2.gz KCXLMXUAYSMXNC-LBPRGKRZSA-N 0 1 288.416 3.663 20 0 CHADMN COc1ncccc1CN[C@@H](C)c1cc(C)sc1C ZINC000037650347 525059313 /nfs/dbraw/zinc/05/93/13/525059313.db2.gz RHYVZEVNCSOINW-NSHDSACASA-N 0 1 276.405 3.619 20 0 CHADMN Cc1ccccc1C1(c2nc([C@@H](N)CC(C)C)no2)CC1 ZINC000339388961 525082581 /nfs/dbraw/zinc/08/25/81/525082581.db2.gz CAVUISADZONGJJ-AWEZNQCLSA-N 0 1 285.391 3.504 20 0 CHADMN COc1ccc([C@@H](C)NC2(c3ccccc3)CC2)cc1O ZINC000290668606 525145406 /nfs/dbraw/zinc/14/54/06/525145406.db2.gz LCQHGUKASFXGID-CYBMUJFWSA-N 0 1 283.371 3.741 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(F)c(C)c2)cc1O ZINC000289767556 525154043 /nfs/dbraw/zinc/15/40/43/525154043.db2.gz NHHQCWPHSDRKBI-GFCCVEGCSA-N 0 1 289.350 3.699 20 0 CHADMN Cc1ccc(NC(=O)c2cn[nH]c2C(C)(C)C)c(C)c1 ZINC000292610684 525230222 /nfs/dbraw/zinc/23/02/22/525230222.db2.gz GVGJNGMZUCXSSR-UHFFFAOYSA-N 0 1 271.364 3.576 20 0 CHADMN C[C@]1(CCc2ccccc2)CCN(Cc2cocn2)C1 ZINC000278285397 525241633 /nfs/dbraw/zinc/24/16/33/525241633.db2.gz WXZWILGZMTUOJT-KRWDZBQOSA-N 0 1 270.376 3.519 20 0 CHADMN Cc1ccccc1[C@@H]1CCN([C@H](C)c2nc(C3CC3)no2)C1 ZINC000263737303 525384883 /nfs/dbraw/zinc/38/48/83/525384883.db2.gz QWSKITGVIFPVOL-UKRRQHHQSA-N 0 1 297.402 3.806 20 0 CHADMN C[C@H](NCc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000277619335 525436940 /nfs/dbraw/zinc/43/69/40/525436940.db2.gz GGPJXFSRZUGNGM-NSHDSACASA-N 0 1 280.293 3.951 20 0 CHADMN C[C@H](NCc1ccc(Cl)nc1)c1ccccc1N(C)C ZINC000093942726 525443359 /nfs/dbraw/zinc/44/33/59/525443359.db2.gz NQMQPOWKOWTHCS-LBPRGKRZSA-N 0 1 289.810 3.652 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H]2CCCc3c[nH]nc32)c2ccccc21 ZINC000290226743 525445575 /nfs/dbraw/zinc/44/55/75/525445575.db2.gz IJUSUANBJITTPU-LYRGGWFBSA-N 0 1 267.376 3.625 20 0 CHADMN C[C@H](NCc1ccc2c(n1)CCCC2)c1ccsc1 ZINC000278370178 525453941 /nfs/dbraw/zinc/45/39/41/525453941.db2.gz DLCXNZZPGHCCFK-LBPRGKRZSA-N 0 1 272.417 3.873 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(N3CCCC3)nc2)oc1C ZINC000282033923 525464674 /nfs/dbraw/zinc/46/46/74/525464674.db2.gz FQDBYNICRLIRCC-CQSZACIVSA-N 0 1 299.418 3.742 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnc(C)s2)c(C)o1 ZINC000040997578 525467743 /nfs/dbraw/zinc/46/77/43/525467743.db2.gz OZFGZPVTSJMOKJ-SECBINFHSA-N 0 1 250.367 3.512 20 0 CHADMN C[C@H](NCc1cncs1)c1ccc(Cl)cc1 ZINC000054770127 525480060 /nfs/dbraw/zinc/48/00/60/525480060.db2.gz ZRAQQQGOHOQTMJ-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN C[C@@H](NC[C@H]1CCC=CO1)c1nc(C(F)(F)F)cs1 ZINC000275622498 525497889 /nfs/dbraw/zinc/49/78/89/525497889.db2.gz AGFXFEKQBYBSRG-RKDXNWHRSA-N 0 1 292.326 3.505 20 0 CHADMN C[C@@H](NCc1cc(F)cc(Cl)c1)c1cccnc1 ZINC000160816450 525513149 /nfs/dbraw/zinc/51/31/49/525513149.db2.gz NBCLAYZTSJUTQN-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN Cc1cccnc1CNCc1cccc(C(F)(F)F)c1 ZINC000071339032 525525010 /nfs/dbraw/zinc/52/50/10/525525010.db2.gz DEAFULMIMNCUSH-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN C[C@H](N[C@@H](C)[C@H](O)c1ccccc1)c1cccnc1Cl ZINC000290280941 525525774 /nfs/dbraw/zinc/52/57/74/525525774.db2.gz MFSORKBWTZSMRS-HUBLWGQQSA-N 0 1 290.794 3.508 20 0 CHADMN C[C@@H](NCc1cccc(O)c1)c1ccccc1OC(F)F ZINC000035231553 525536515 /nfs/dbraw/zinc/53/65/15/525536515.db2.gz KFHHKQZHWCNHJN-LLVKDONJSA-N 0 1 293.313 3.844 20 0 CHADMN C[C@@H](NCc1cncc(F)c1)c1cccc(OC(F)F)c1 ZINC000275205559 525550322 /nfs/dbraw/zinc/55/03/22/525550322.db2.gz RFMUDDRNZNITQF-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN C[C@H](N[C@@H]1CCCc2ccc(O)cc21)c1cccnc1 ZINC000235517539 525563887 /nfs/dbraw/zinc/56/38/87/525563887.db2.gz PBZQUHOKOJXMOS-YVEFUNNKSA-N 0 1 268.360 3.515 20 0 CHADMN C[C@H](N[C@@H]1CCOC1(C)C)c1ncc(-c2ccccc2)o1 ZINC000295185623 525571453 /nfs/dbraw/zinc/57/14/53/525571453.db2.gz IREUBINTDAZYTC-SWLSCSKDSA-N 0 1 286.375 3.560 20 0 CHADMN Cc1cc2c(cc1C)[C@@H](N[C@H](C)c1cn[nH]c1)CCS2 ZINC000275275702 525600544 /nfs/dbraw/zinc/60/05/44/525600544.db2.gz CPBUVMYTAKKCRQ-DOMZBBRYSA-N 0 1 287.432 3.914 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1cccnc1 ZINC000037108071 525628255 /nfs/dbraw/zinc/62/82/55/525628255.db2.gz IJSZYQJBWQWYCP-OAHLLOKOSA-N 0 1 270.376 3.786 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)C1CCC1)c1cnccn1 ZINC000119254879 525629354 /nfs/dbraw/zinc/62/93/54/525629354.db2.gz PAYUQFUQSGQSBJ-DYVFJYSZSA-N 0 1 267.376 3.669 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000338638709 525632064 /nfs/dbraw/zinc/63/20/64/525632064.db2.gz GRTCFMYKVLWVKZ-XJKSGUPXSA-N 0 1 297.402 3.666 20 0 CHADMN Cc1c(C)c(C)c(CN[C@H](C)c2ccc(=O)[nH]n2)c(C)c1C ZINC000353616567 525674670 /nfs/dbraw/zinc/67/46/70/525674670.db2.gz BIVIMMRIRDTBPO-OAHLLOKOSA-N 0 1 299.418 3.575 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1c(O)cccc1F ZINC000128782286 525711018 /nfs/dbraw/zinc/71/10/18/525711018.db2.gz CGEPCYSFSKDPNH-TZMCWYRMSA-N 0 1 299.345 3.550 20 0 CHADMN CSCc1ccc(-c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000339396916 525723433 /nfs/dbraw/zinc/72/34/33/525723433.db2.gz ZVMHFPABEDBNJL-ZDUSSCGKSA-N 0 1 291.420 3.646 20 0 CHADMN C[C@H](O)CN1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000339198335 525750520 /nfs/dbraw/zinc/75/05/20/525750520.db2.gz HLYWNTMNFGUZMG-JTQLQIEISA-N 0 1 288.218 3.554 20 0 CHADMN CSCc1cnc(CN[C@@H]2CCCC(F)(F)C2)s1 ZINC000339302309 525755106 /nfs/dbraw/zinc/75/51/06/525755106.db2.gz KXBCRSRYHKXRNI-SECBINFHSA-N 0 1 292.420 3.674 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CC[C@H](C)[C@@H](C)C2)s1 ZINC000353538324 534879824 /nfs/dbraw/zinc/87/98/24/534879824.db2.gz GYQAZOVVRUDHFO-IUCAKERBSA-N 0 1 292.370 3.948 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cc3nc(C4CC4)no3)C2)c(C)c1 ZINC000280245601 525829118 /nfs/dbraw/zinc/82/91/18/525829118.db2.gz BSXBPBGMKVVTLX-OAHLLOKOSA-N 0 1 297.402 3.553 20 0 CHADMN C[C@@H](O)C[C@H]1CCCN1Cc1cscc1C(F)(F)F ZINC000356108895 525841003 /nfs/dbraw/zinc/84/10/03/525841003.db2.gz JUFFGSAFUYBKNX-MWLCHTKSSA-N 0 1 293.354 3.502 20 0 CHADMN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000269615666 525877971 /nfs/dbraw/zinc/87/79/71/525877971.db2.gz LPMGWRCFDFCKHR-NEPJUHHUSA-N 0 1 297.383 3.675 20 0 CHADMN Cc1c([C@@H](C)NCc2ccc(C)nc2)cnn1C(C)(C)C ZINC000276430438 525896234 /nfs/dbraw/zinc/89/62/34/525896234.db2.gz WRNNOFLBNQZVFY-CYBMUJFWSA-N 0 1 286.423 3.501 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccc3c(c2)OCO3)o1 ZINC000036960346 525942223 /nfs/dbraw/zinc/94/22/23/525942223.db2.gz NSPOISJUCWSAJN-NEPJUHHUSA-N 0 1 273.332 3.729 20 0 CHADMN Cc1ccc(/C=C/c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000339393869 525959220 /nfs/dbraw/zinc/95/92/20/525959220.db2.gz MJMQMSDZGURDNQ-VFNNOXKTSA-N 0 1 271.364 3.594 20 0 CHADMN Cc1ccc([C@H](NCc2ncccc2N(C)C)C2CC2)cc1 ZINC000289556309 525969531 /nfs/dbraw/zinc/96/95/31/525969531.db2.gz ABSAUJBCQCLVIZ-IBGZPJMESA-N 0 1 295.430 3.697 20 0 CHADMN Cc1ccc([C@H]2CCCCN2Cc2c[nH]c3nccnc23)o1 ZINC000290528066 525996430 /nfs/dbraw/zinc/99/64/30/525996430.db2.gz VAQCWCKLHLDBRD-CQSZACIVSA-N 0 1 296.374 3.587 20 0 CHADMN Cc1cnc(CN(C)C2CCC(C(C)(C)C)CC2)nc1 ZINC000340677216 526004415 /nfs/dbraw/zinc/00/44/15/526004415.db2.gz VCDAJAQAEMTURP-UHFFFAOYSA-N 0 1 275.440 3.822 20 0 CHADMN CSc1ccc(CNCc2ccc3c(n2)CCCC3)cc1 ZINC000277642978 526004811 /nfs/dbraw/zinc/00/48/11/526004811.db2.gz DPRUIDQKQMIMBX-UHFFFAOYSA-N 0 1 298.455 3.972 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)N(Cc3nnc(C(C)C)o3)C2)cc1 ZINC000278373566 526034857 /nfs/dbraw/zinc/03/48/57/526034857.db2.gz CCUMQZVTXJAQJP-ZBFHGGJFSA-N 0 1 299.418 3.879 20 0 CHADMN Cc1cn[nH]c1CNc1cc(C(F)(F)F)ccc1C ZINC000289551273 526036386 /nfs/dbraw/zinc/03/63/86/526036386.db2.gz QDYDBDWQLRUEQH-UHFFFAOYSA-N 0 1 269.270 3.657 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226455668 526043129 /nfs/dbraw/zinc/04/31/29/526043129.db2.gz XHUYNAJUHWXYFJ-STQMWFEESA-N 0 1 295.810 3.978 20 0 CHADMN CSc1ccc([C@H](C)NCc2cncs2)cc1 ZINC000054770773 526073747 /nfs/dbraw/zinc/07/37/47/526073747.db2.gz JDWHDQWECLOJCH-JTQLQIEISA-N 0 1 264.419 3.716 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226454601 526079423 /nfs/dbraw/zinc/07/94/23/526079423.db2.gz VIUZYRBTXMIKKI-OLZOCXBDSA-N 0 1 295.810 3.978 20 0 CHADMN C[C@H](c1ccccc1)N1CCO[C@H](c2cccs2)C1 ZINC000157372962 526098424 /nfs/dbraw/zinc/09/84/24/526098424.db2.gz WRXOSZDDNWDNGW-HIFRSBDPSA-N 0 1 273.401 3.883 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262129844 526102588 /nfs/dbraw/zinc/10/25/88/526102588.db2.gz KOBJLIHFBMFYGZ-MQIPJXDCSA-N 0 1 293.794 3.588 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN(c4ccccn4)C3)[nH]c2c1 ZINC000290956664 526106293 /nfs/dbraw/zinc/10/62/93/526106293.db2.gz NWMUKHMBNASJEC-CQSZACIVSA-N 0 1 292.386 3.650 20 0 CHADMN Cc1ccc2[nH]c([C@H]3CCCN3C[C@H]3CCCCO3)nc2c1 ZINC000289389730 526107037 /nfs/dbraw/zinc/10/70/37/526107037.db2.gz QVBYSXKRQSKVHX-RHSMWYFYSA-N 0 1 299.418 3.577 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C[C@H]3CCCCO3)[nH]c2c1 ZINC000289389730 526107041 /nfs/dbraw/zinc/10/70/41/526107041.db2.gz QVBYSXKRQSKVHX-RHSMWYFYSA-N 0 1 299.418 3.577 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1cccc(Cl)c1 ZINC000299199441 526123832 /nfs/dbraw/zinc/12/38/32/526123832.db2.gz TYXDNUZQOLSNIJ-GFCCVEGCSA-N 0 1 260.768 3.928 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H]2C[C@@H]2c2ccccc2)s1 ZINC000291177660 526160109 /nfs/dbraw/zinc/16/01/09/526160109.db2.gz NWLZYRDZWNFRKF-IACUBPJLSA-N 0 1 258.390 3.658 20 0 CHADMN CSc1ccsc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000337195283 526203703 /nfs/dbraw/zinc/20/37/03/526203703.db2.gz AUFFBTGOJIYTJU-UHFFFAOYSA-N 0 1 289.385 3.599 20 0 CHADMN C[C@@H]1CC/C(=C\C(=O)Nc2ccccc2-c2cn[nH]c2)C1 ZINC000275987831 526233398 /nfs/dbraw/zinc/23/33/98/526233398.db2.gz GDSTYKCHERLYOJ-AUWXEVLLSA-N 0 1 281.359 3.762 20 0 CHADMN Cc1ccc(C(C)(C)c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000339397115 526247040 /nfs/dbraw/zinc/24/70/40/526247040.db2.gz WKOYRRPDRDZCJG-AWEZNQCLSA-N 0 1 287.407 3.750 20 0 CHADMN CC=Cc1ccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000335968862 526303592 /nfs/dbraw/zinc/30/35/92/526303592.db2.gz HONKUYGKEDXZIT-OMDKTOEGSA-N 0 1 296.374 3.642 20 0 CHADMN Oc1ccc2c(c1)[C@H](NCc1ccc(Cl)nc1)CCC2 ZINC000291281383 526354641 /nfs/dbraw/zinc/35/46/41/526354641.db2.gz RFXJICSYHSBAJQ-OAHLLOKOSA-N 0 1 288.778 3.608 20 0 CHADMN Fc1ccc([C@H](NC2CCC3(CC3)CC2)c2ncc[nH]2)cc1 ZINC000278365892 526364470 /nfs/dbraw/zinc/36/44/70/526364470.db2.gz BUUXCLKGMXWOQK-INIZCTEOSA-N 0 1 299.393 3.951 20 0 CHADMN Cc1csc([C@@H](C)NCc2cccc(C)c2C)n1 ZINC000069168628 526412746 /nfs/dbraw/zinc/41/27/46/526412746.db2.gz KEQLILPAFHUUMN-CYBMUJFWSA-N 0 1 260.406 3.919 20 0 CHADMN c1cc(CN(C2CC2)[C@@H]2CCCc3ccccc32)on1 ZINC000264604635 526421422 /nfs/dbraw/zinc/42/14/22/526421422.db2.gz GMQFEJLZHFWAFY-QGZVFWFLSA-N 0 1 268.360 3.717 20 0 CHADMN c1cc2c(s1)CN(Cc1cnc3ccccc3c1)CC2 ZINC000337170720 526446636 /nfs/dbraw/zinc/44/66/36/526446636.db2.gz DAKHCECWJPPHJT-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN Cc1nnsc1CN[C@@H](C)c1cccc(C2CC2)c1 ZINC000340394836 526447776 /nfs/dbraw/zinc/44/77/76/526447776.db2.gz MCBGXBHYXUNGIK-JTQLQIEISA-N 0 1 273.405 3.575 20 0 CHADMN c1ccc(OC2CC2)c(CN2CCC[C@@H]2c2ccncc2)c1 ZINC000290083848 526483812 /nfs/dbraw/zinc/48/38/12/526483812.db2.gz QUWHEXOREDHHAJ-GOSISDBHSA-N 0 1 294.398 3.960 20 0 CHADMN c1ccc2c(c1)COC[C@@H]2NCc1ccc(C2CC2)cc1 ZINC000340499800 526507687 /nfs/dbraw/zinc/50/76/87/526507687.db2.gz OCSNJKZWLOMGHG-IBGZPJMESA-N 0 1 279.383 3.925 20 0 CHADMN Cc1noc(C)c1CNCc1c(C)cc(C)cc1C ZINC000063550300 526514130 /nfs/dbraw/zinc/51/41/30/526514130.db2.gz ZOVRRPLWITXZJT-UHFFFAOYSA-N 0 1 258.365 3.507 20 0 CHADMN c1coc([C@@H](N[C@H]2CCCSC2)c2ccccc2)c1 ZINC000061577619 526569381 /nfs/dbraw/zinc/56/93/81/526569381.db2.gz JKGLJIMSYLIPTH-HOCLYGCPSA-N 0 1 273.401 3.854 20 0 CHADMN c1csc(-c2noc(CN3CCC[C@@H]3C3CCC3)n2)c1 ZINC000264019922 526576535 /nfs/dbraw/zinc/57/65/35/526576535.db2.gz WCPMWVKAQZERBW-GFCCVEGCSA-N 0 1 289.404 3.563 20 0 CHADMN c1csc([C@H](NC[C@@H]2CCSC2)c2ccccc2)n1 ZINC000278488449 526588719 /nfs/dbraw/zinc/58/87/19/526588719.db2.gz LQTMOBXNSMYONH-GXTWGEPZSA-N 0 1 290.457 3.575 20 0 CHADMN Cc1noc(CN2CCC[C@H]2c2cccc3ccccc32)n1 ZINC000064637307 526612427 /nfs/dbraw/zinc/61/24/27/526612427.db2.gz OMLSDGZXXVBURK-KRWDZBQOSA-N 0 1 293.370 3.868 20 0 CHADMN Cc1nc(CN2CCC[C@H](c3ccccc3)C2)cs1 ZINC000353644266 526861092 /nfs/dbraw/zinc/86/10/92/526861092.db2.gz NIXHBLIASXRVDR-HNNXBMFYSA-N 0 1 272.417 3.831 20 0 CHADMN Cc1nc(CN2CCC[C@H]2Cc2ccc(F)cc2)cs1 ZINC000340676379 526862121 /nfs/dbraw/zinc/86/21/21/526862121.db2.gz OULSGNHUTIIPTO-INIZCTEOSA-N 0 1 290.407 3.798 20 0 CHADMN Cc1nc(F)ccc1CNC(C)(C)c1ccc(F)c(F)c1 ZINC000278579017 526945926 /nfs/dbraw/zinc/94/59/26/526945926.db2.gz YFNXLQNFKQCGEE-UHFFFAOYSA-N 0 1 294.320 3.832 20 0 CHADMN Clc1cccc(S[C@H]2CCN(Cc3ccno3)C2)c1 ZINC000292380511 526981938 /nfs/dbraw/zinc/98/19/38/526981938.db2.gz JNBTXCTZGUMLEV-AWEZNQCLSA-N 0 1 294.807 3.695 20 0 CHADMN Clc1csc(CNCc2ccc3cc[nH]c3n2)c1 ZINC000353217558 527002068 /nfs/dbraw/zinc/00/20/68/527002068.db2.gz ZFXBHTUGEVDCIF-UHFFFAOYSA-N 0 1 277.780 3.568 20 0 CHADMN Clc1ncc(CN2CCC[C@@H]3CCC[C@@H]32)s1 ZINC000086776962 527008200 /nfs/dbraw/zinc/00/82/00/527008200.db2.gz PUAGJNQYPFRTGO-ONGXEEELSA-N 0 1 256.802 3.561 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)CCC2CCCCC2)[nH]1 ZINC000338535828 527149978 /nfs/dbraw/zinc/14/99/78/527149978.db2.gz KDOYSDLNUWJKLZ-UHFFFAOYSA-N 0 1 299.418 3.914 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)[C@@H](C)C2CCCCC2)[nH]1 ZINC000338605381 527150332 /nfs/dbraw/zinc/15/03/32/527150332.db2.gz DNRJAMAHGDDKMT-LBPRGKRZSA-N 0 1 299.418 3.912 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@H](CC(C)C)C2)[nH]1 ZINC000338573629 527151900 /nfs/dbraw/zinc/15/19/00/527151900.db2.gz KQKHRDLDWKXMQC-CQSZACIVSA-N 0 1 299.418 3.770 20 0 CHADMN Cc1nc2cccc(C(=O)NC(C)(C)c3cccs3)c2[nH]1 ZINC000338541629 527152767 /nfs/dbraw/zinc/15/27/67/527152767.db2.gz XREXPMKSEZFHOZ-UHFFFAOYSA-N 0 1 299.399 3.598 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3cccc(C)c3C)c2[nH]1 ZINC000338513898 527157461 /nfs/dbraw/zinc/15/74/61/527157461.db2.gz HMCGUGGADLUUSQ-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3ccc4c(c3)CCC4)c2[nH]1 ZINC000338510999 527157496 /nfs/dbraw/zinc/15/74/96/527157496.db2.gz RLFJVMOZCOSSCS-UHFFFAOYSA-N 0 1 291.354 3.612 20 0 CHADMN Cc1ncc(CN(C)Cc2cc(C)nc3ccccc23)s1 ZINC000074350556 527251950 /nfs/dbraw/zinc/25/19/50/527251950.db2.gz ZTHHYTMLIPINKA-UHFFFAOYSA-N 0 1 297.427 3.940 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1ccc(C2CC2)cn1 ZINC000340321726 527348447 /nfs/dbraw/zinc/34/84/47/527348447.db2.gz PZRKDGDATSHXFA-UHFFFAOYSA-N 0 1 288.734 3.570 20 0 CHADMN Cn1ccnc1[C@@H](NCc1ccc2sccc2c1)C1CC1 ZINC000289595524 527454721 /nfs/dbraw/zinc/45/47/21/527454721.db2.gz CGOWHNKKXSXTLV-INIZCTEOSA-N 0 1 297.427 3.876 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1ccc(C2CCC2)cc1 ZINC000277190660 527457953 /nfs/dbraw/zinc/45/79/53/527457953.db2.gz IPPAWQZRURZSAK-AWEZNQCLSA-N 0 1 281.403 3.903 20 0 CHADMN Cc1ncsc1CNCc1ccc(C2CC2)cc1F ZINC000291670656 527510228 /nfs/dbraw/zinc/51/02/28/527510228.db2.gz GKXRKQGMGPWFLN-UHFFFAOYSA-N 0 1 276.380 3.758 20 0 CHADMN Cc1nn(C)c(C)c1CN(Cc1cccs1)C(C)C ZINC000299621612 527628240 /nfs/dbraw/zinc/62/82/40/527628240.db2.gz WVVNGUAAOKYNCZ-UHFFFAOYSA-N 0 1 277.437 3.509 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)CC1 ZINC000299742069 527635538 /nfs/dbraw/zinc/63/55/38/527635538.db2.gz GRRAMGGOALSUEM-NSHDSACASA-N 0 1 299.773 3.556 20 0 CHADMN FC(F)Oc1cccc(CSc2nc(C3CC3)n[nH]2)c1 ZINC000299456018 527696467 /nfs/dbraw/zinc/69/64/67/527696467.db2.gz VPDPOIKOPAFFCZ-UHFFFAOYSA-N 0 1 297.330 3.576 20 0 CHADMN FC(F)Oc1cccc(CSc2n[nH]c(C3CC3)n2)c1 ZINC000299456018 527696468 /nfs/dbraw/zinc/69/64/68/527696468.db2.gz VPDPOIKOPAFFCZ-UHFFFAOYSA-N 0 1 297.330 3.576 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000087408190 527697436 /nfs/dbraw/zinc/69/74/36/527697436.db2.gz JQKCCRNNRBDJQE-DGCLKSJQSA-N 0 1 283.375 3.887 20 0 CHADMN CC(C)[C@]1(CO)CCCN(Cc2cc(Cl)cs2)C1 ZINC000354576521 527991592 /nfs/dbraw/zinc/99/15/92/527991592.db2.gz YGJNZYIGDLFMCL-CQSZACIVSA-N 0 1 287.856 3.632 20 0 CHADMN CCCN(Cc1cncs1)Cc1ccc(F)cc1 ZINC000351602021 528150227 /nfs/dbraw/zinc/15/02/27/528150227.db2.gz JSJZHXQCLJTYNZ-UHFFFAOYSA-N 0 1 264.369 3.694 20 0 CHADMN CCCN(Cc1nc(C)cs1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000353742516 528153552 /nfs/dbraw/zinc/15/35/52/528153552.db2.gz AQOKDYFMQPMYBP-ZIAGYGMSSA-N 0 1 296.480 3.867 20 0 CHADMN CC(C)n1cc(CN2CCC[C@H](C(C)(C)C)CC2)nn1 ZINC000347858829 528563401 /nfs/dbraw/zinc/56/34/01/528563401.db2.gz HNEBPJYTIHWAIB-AWEZNQCLSA-N 0 1 278.444 3.507 20 0 CHADMN CC(C)Cc1ccc(CN(C)Cc2ccncc2)cc1 ZINC000350457181 528649537 /nfs/dbraw/zinc/64/95/37/528649537.db2.gz HHUYFYCDAZOXPU-UHFFFAOYSA-N 0 1 268.404 3.912 20 0 CHADMN CC(C)n1nccc1CN1CCC[C@H]2CCCC[C@@H]21 ZINC000353648168 528676295 /nfs/dbraw/zinc/67/62/95/528676295.db2.gz ITKBCDIDRLZWMH-ZBFHGGJFSA-N 0 1 261.413 3.619 20 0 CHADMN CC(C)[C@@H]1C[C@@H](Nc2cc3c(cn2)CCC3)CS1 ZINC000354540813 528766998 /nfs/dbraw/zinc/76/69/98/528766998.db2.gz NRJVVJWPKWXMLF-KGLIPLIRSA-N 0 1 262.422 3.512 20 0 CHADMN CC(C)[C@@H]1N(Cc2cnc([C@@H]3CCCO3)s2)CC1(C)C ZINC000353748450 528812373 /nfs/dbraw/zinc/81/23/73/528812373.db2.gz SHCBZRHSSJVEFZ-KBPBESRZSA-N 0 1 294.464 3.861 20 0 CHADMN CCC(CC)[C@@H]1C[C@@H](N[C@@H](C)c2cc(C)on2)CCO1 ZINC000353674516 528836980 /nfs/dbraw/zinc/83/69/80/528836980.db2.gz FIWJULQXGGAYMW-NOLJZWGESA-N 0 1 280.412 3.617 20 0 CHADMN CCC[C@@H](C)CC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000354990899 528875223 /nfs/dbraw/zinc/87/52/23/528875223.db2.gz VPTIULBJVFPREC-SNVBAGLBSA-N 0 1 259.353 3.636 20 0 CHADMN CCN(Cc1cscc1C(F)(F)F)C[C@@H]1CCCO1 ZINC000356052866 528881182 /nfs/dbraw/zinc/88/11/82/528881182.db2.gz ISTCCEGXHWSCAG-NSHDSACASA-N 0 1 293.354 3.768 20 0 CHADMN CCC1(CC)CCCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC000347929096 529043675 /nfs/dbraw/zinc/04/36/75/529043675.db2.gz TXBGHCVZTGKJSU-UHFFFAOYSA-N 0 1 299.418 3.995 20 0 CHADMN CC1(C)CC[C@H](c2nc(-c3ccn4cncc4c3)no2)C1 ZINC000333353648 529049430 /nfs/dbraw/zinc/04/94/30/529049430.db2.gz WFQCQTRRSGOMMI-LBPRGKRZSA-N 0 1 282.347 3.678 20 0 CHADMN CC[C@H](c1ccccc1)N1CCN(Cc2ccco2)CC1 ZINC000354105589 529182425 /nfs/dbraw/zinc/18/24/25/529182425.db2.gz CGYXCLQVESIWMS-GOSISDBHSA-N 0 1 284.403 3.549 20 0 CHADMN CC[C@@H](N[C@H](c1nccn1C)C1CC1)c1cccc(F)c1 ZINC000353859407 529207090 /nfs/dbraw/zinc/20/70/90/529207090.db2.gz WNPCDINTBSIJGF-CVEARBPZSA-N 0 1 287.382 3.751 20 0 CHADMN CCSc1ccc([C@H](C)NCc2n[nH]cc2C)cc1 ZINC000352831882 529247703 /nfs/dbraw/zinc/24/77/03/529247703.db2.gz DDMSXCQSCUNHNF-LBPRGKRZSA-N 0 1 275.421 3.681 20 0 CHADMN CC[C@@H](c1ccccc1OC)N(C)Cc1cncc(C)c1 ZINC000347569612 529258698 /nfs/dbraw/zinc/25/86/98/529258698.db2.gz YYAUPGOTIBSRDP-KRWDZBQOSA-N 0 1 284.403 3.982 20 0 CHADMN C[N@@H+](CCc1ccccn1)Cc1cccc(C(F)(F)F)c1 ZINC000019607022 567877968 /nfs/dbraw/zinc/87/79/68/567877968.db2.gz BGVBMCDNROWBMF-UHFFFAOYSA-N 0 1 294.320 3.775 20 0 CHADMN CCCOc1ccc(CNCc2ccccc2OC)cc1 ZINC000020087188 567945354 /nfs/dbraw/zinc/94/53/54/567945354.db2.gz USPLCUFMIYQRNH-UHFFFAOYSA-N 0 1 285.387 3.774 20 0 CHADMN Fc1cccc(CN2CCCCCC2)c1Br ZINC000158008411 570395171 /nfs/dbraw/zinc/39/51/71/570395171.db2.gz LFMBCKFVYAMNFP-UHFFFAOYSA-N 0 1 286.188 3.964 20 0 CHADMN CC[N@@H+](Cc1cccs1)Cc1ccc(C(=O)[O-])s1 ZINC000109601797 601937604 /nfs/dbraw/zinc/93/76/04/601937604.db2.gz NADYRXHOHYEUQX-UHFFFAOYSA-N 0 1 281.402 3.530 20 0 CHADMN CC[N@H+](Cc1cc(C(=O)[O-])co1)Cc1ccc(Cl)s1 ZINC000570218701 599845879 /nfs/dbraw/zinc/84/58/79/599845879.db2.gz AEQMHOCQDVDZSI-UHFFFAOYSA-N 0 1 299.779 3.715 20 0 CHADMN CC[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccc(Cl)s1 ZINC000570218701 599845882 /nfs/dbraw/zinc/84/58/82/599845882.db2.gz AEQMHOCQDVDZSI-UHFFFAOYSA-N 0 1 299.779 3.715 20 0 CHADMN C[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccc2ccccc2c1 ZINC000737487939 599846487 /nfs/dbraw/zinc/84/64/87/599846487.db2.gz UBLOITCSJDLITP-UHFFFAOYSA-N 0 1 295.338 3.763 20 0 CHADMN CCC1CCC([N@@H+](Cc2cc(C(=O)[O-])co2)C2CC2)CC1 ZINC000565897043 599848230 /nfs/dbraw/zinc/84/82/30/599848230.db2.gz CWVKTDTVGWXLSU-UHFFFAOYSA-N 0 1 291.391 3.911 20 0 CHADMN CC(C)C[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccccc1 ZINC000736432372 599848991 /nfs/dbraw/zinc/84/89/91/599848991.db2.gz KUJHCEIDQHUCHD-UHFFFAOYSA-N 0 1 287.359 3.636 20 0 CHADMN C[C@H](C[N@@H+](Cc1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000564091590 599950516 /nfs/dbraw/zinc/95/05/16/599950516.db2.gz ASPHJNMBMIVGFR-CYBMUJFWSA-N 0 1 283.371 3.525 20 0 CHADMN O=C([O-])c1occc1C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000566684232 600025167 /nfs/dbraw/zinc/02/51/67/600025167.db2.gz OPCDFZBZEDREMK-INIZCTEOSA-N 0 1 299.370 3.575 20 0 CHADMN C[N@H+](Cc1ccc(F)cc1C(=O)[O-])CC1CCCCC1 ZINC000071265068 600083570 /nfs/dbraw/zinc/08/35/70/600083570.db2.gz NUFOGRBPYADYDB-UHFFFAOYSA-N 0 1 279.355 3.536 20 0 CHADMN O=C([O-])C[C@@H]1CCCC[N@H+]1CCc1ccc2ccccc2c1 ZINC000650505517 600441385 /nfs/dbraw/zinc/44/13/85/600441385.db2.gz GSEWRJHZPPJKAC-SFHVURJKSA-N 0 1 297.398 3.712 20 0 CHADMN C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC000736716622 600556499 /nfs/dbraw/zinc/55/64/99/600556499.db2.gz IASHBZWKZBZPOI-GFCCVEGCSA-N 0 1 287.334 3.717 20 0 CHADMN Cc1cc(C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)oc1C(=O)[O-] ZINC000566360371 600629650 /nfs/dbraw/zinc/62/96/50/600629650.db2.gz WWOMOGVHZNBXGL-ZFWWWQNUSA-N 0 1 299.370 3.664 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000578995145 600835624 /nfs/dbraw/zinc/83/56/24/600835624.db2.gz BDFDHMGXGZKGAU-BFQNTYOBSA-N 0 1 291.366 3.677 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000191408231 600995310 /nfs/dbraw/zinc/99/53/10/600995310.db2.gz LPGRZGKISQVPRF-QGZVFWFLSA-N 0 1 283.371 3.649 20 0 CHADMN C/C(=C/C[N@H+]1CCCC[C@@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000825741153 601171858 /nfs/dbraw/zinc/17/18/58/601171858.db2.gz IXWYBOXVNFBWME-SCOADAFUSA-N 0 1 273.376 3.553 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000830363884 601412275 /nfs/dbraw/zinc/41/22/75/601412275.db2.gz ZNFCCNRLIQHRGD-UHFFFAOYSA-N 0 1 299.370 3.705 20 0 CHADMN C[C@H]1CCC[N@H+]1Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000037911351 601428438 /nfs/dbraw/zinc/42/84/38/601428438.db2.gz DKCZGVFYPDHTQO-VIFPVBQESA-N 0 1 293.363 3.723 20 0 CHADMN CCCC[N@@H+](Cc1cc(C(=O)[O-])sc1C)C1CC1 ZINC000155966199 601618600 /nfs/dbraw/zinc/61/86/00/601618600.db2.gz LSFZWWRTENLDCI-UHFFFAOYSA-N 0 1 267.394 3.519 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000086779966 601918594 /nfs/dbraw/zinc/91/85/94/601918594.db2.gz CRLCYULLFCMFEX-FZKQIMNGSA-N 0 1 283.371 3.697 20 0 CHADMN C[N@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccccc1Cl ZINC000103924296 601935962 /nfs/dbraw/zinc/93/59/62/601935962.db2.gz LSNISHWZUYJWCB-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccccc1Cl ZINC000103924296 601935964 /nfs/dbraw/zinc/93/59/64/601935964.db2.gz LSNISHWZUYJWCB-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN C/C(=C\C[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C)C(=O)[O-] ZINC000833384446 604620138 /nfs/dbraw/zinc/62/01/38/604620138.db2.gz QVHIBXHGIDUZHX-OFFHKIPUSA-N 0 1 296.436 3.599 20 0 CHADMN Cc1cccc(C2=CC[N@@H+](Cc3cc(C(=O)[O-])co3)CC2)c1 ZINC000568641008 604848973 /nfs/dbraw/zinc/84/89/73/604848973.db2.gz AXWQYSVZJBCYCS-UHFFFAOYSA-N 0 1 297.354 3.576 20 0 CHADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000135039169 604941675 /nfs/dbraw/zinc/94/16/75/604941675.db2.gz RCGOBTMHIUHGII-ZDUSSCGKSA-N 0 1 295.810 3.663 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](Cc1ccccc1CC(=O)[O-])C1CC1 ZINC000833550061 605076737 /nfs/dbraw/zinc/07/67/37/605076737.db2.gz QQUGPXHDRIVPPT-CYBMUJFWSA-N 0 1 299.370 3.632 20 0 CHADMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1F)[C@H]1CCc2ccccc21 ZINC000833694341 605830712 /nfs/dbraw/zinc/83/07/12/605830712.db2.gz GOJVJDVKJJPPAD-KRWDZBQOSA-N 0 1 299.345 3.643 20 0 CHADMN CCC(CC)CCC[N@@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000659802916 975893466 /nfs/dbraw/zinc/89/34/66/975893466.db2.gz ZPBJCIBXGKHMNC-CQSZACIVSA-N 0 1 257.418 3.634 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC001589605182 949243509 /nfs/dbraw/zinc/24/35/09/949243509.db2.gz LZSMPTNRGPGRTE-VYDXJSESSA-N 0 1 279.424 3.556 20 0 CHADMN CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC001589627293 949508891 /nfs/dbraw/zinc/50/88/91/949508891.db2.gz LXYAKXXEDXACQA-GOSISDBHSA-N 0 1 295.382 3.722 20 0 CHADMN CCCC[N@@H+](CCCC(=O)[O-])[C@H]1CCC[C@H](C)C1 ZINC001589647627 949745999 /nfs/dbraw/zinc/74/59/99/949745999.db2.gz FBDDJQHJFFBQMB-KBPBESRZSA-N 0 1 255.402 3.532 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@H](C)CCc2ccccc2)C1 ZINC000251230010 950013067 /nfs/dbraw/zinc/01/30/67/950013067.db2.gz KHVNPKWQOJXPRD-CRAIPNDOSA-N 0 1 289.419 3.585 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C(C)(C)C1 ZINC000380416056 971697679 /nfs/dbraw/zinc/69/76/79/971697679.db2.gz IUNQPPLKABJYSZ-JTQLQIEISA-N 0 1 281.783 3.659 20 0 CHADMN C[C@@H]1CCCC[C@H]1C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000394794316 951456758 /nfs/dbraw/zinc/45/67/58/951456758.db2.gz AEVIHDHULRJUMB-QLFBSQMISA-N 0 1 267.413 3.532 20 0 CHADMN CC1=CCC[N@@H+](Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000382475461 971814969 /nfs/dbraw/zinc/81/49/69/971814969.db2.gz HTPQXLZXGZIBFG-UHFFFAOYSA-N 0 1 287.384 3.752 20 0 CHADMN Cc1cc(Cl)ccc1C1=CC[N@@H+](CCCC(=O)[O-])CC1 ZINC000528742130 953555661 /nfs/dbraw/zinc/55/56/61/953555661.db2.gz SFSFRMUBNCTQJD-UHFFFAOYSA-N 0 1 293.794 3.602 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+]1CC=C(c2ccc(Cl)cc2C)CC1 ZINC000530172717 953556870 /nfs/dbraw/zinc/55/68/70/953556870.db2.gz OOCLERHTLSBLDI-HNNXBMFYSA-N 0 1 293.794 3.601 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000629360825 953821869 /nfs/dbraw/zinc/82/18/69/953821869.db2.gz WEJDUCZQNBGVKR-ZIAGYGMSSA-N 0 1 255.402 3.532 20 0 CHADMN O=C([O-])c1cccc(C[N@@H+](C2CC2)C2CCCCC2)c1 ZINC000666573428 954563769 /nfs/dbraw/zinc/56/37/69/954563769.db2.gz NZFAGUWTYBOELX-UHFFFAOYSA-N 0 1 273.376 3.682 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000901416593 956304179 /nfs/dbraw/zinc/30/41/79/956304179.db2.gz VNSXMEQXZQTANL-GJZGRUSLSA-N 0 1 267.413 3.556 20 0 CHADMN Cc1ccc([C@@H](C)[N@@H+](C)CCC2(C(=O)[O-])CCC2)cc1 ZINC000903696310 956884008 /nfs/dbraw/zinc/88/40/08/956884008.db2.gz FANJFFPKHGZZSV-CQSZACIVSA-N 0 1 275.392 3.633 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@@H](C3CCC3)CC2)CCC1 ZINC000903707020 956902597 /nfs/dbraw/zinc/90/25/97/956902597.db2.gz QLPRQDSDPQTVMA-OAHLLOKOSA-N 0 1 279.424 3.534 20 0 CHADMN CCCCCC[C@H](C)Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000049225987 957476074 /nfs/dbraw/zinc/47/60/74/957476074.db2.gz LPYLAZBLRCOMLT-NSHDSACASA-N 0 1 250.342 3.551 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000062015360 957596869 /nfs/dbraw/zinc/59/68/69/957596869.db2.gz GOWROOPKBBETQC-SNVBAGLBSA-N 0 1 291.322 3.618 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)[C@H](C)c1ccccc1F ZINC000062015360 957596875 /nfs/dbraw/zinc/59/68/75/957596875.db2.gz GOWROOPKBBETQC-SNVBAGLBSA-N 0 1 291.322 3.618 20 0 CHADMN C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC000062015337 957597283 /nfs/dbraw/zinc/59/72/83/957597283.db2.gz LLUUXZDRRUHJQB-LBPRGKRZSA-N 0 1 287.334 3.717 20 0 CHADMN Cc1ccccc1[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000086725348 957977225 /nfs/dbraw/zinc/97/72/25/957977225.db2.gz UJFGWKFEXBVAEQ-AWEZNQCLSA-N 0 1 283.371 3.886 20 0 CHADMN CC(C)C[N@@H+](Cc1ccc(C(=O)[O-])s1)C1CCCC1 ZINC000094849640 958314321 /nfs/dbraw/zinc/31/43/21/958314321.db2.gz WBTQROVZQKDHHS-UHFFFAOYSA-N 0 1 281.421 3.847 20 0 CHADMN C[C@H]1CCC[C@H](C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)C1 ZINC000124626980 958540856 /nfs/dbraw/zinc/54/08/56/958540856.db2.gz HCPBLIUBCTYEGE-KBPBESRZSA-N 0 1 287.403 3.569 20 0 CHADMN Cc1[nH+]c(NCC(C)(C)c2cccs2)ccc1C(=O)[O-] ZINC000147578366 959004972 /nfs/dbraw/zinc/00/49/72/959004972.db2.gz URNBSTWKMSFQNJ-UHFFFAOYSA-N 0 1 290.388 3.539 20 0 CHADMN Cc1ccc([C@H](C)N(C)[C@H](c2nccn2C)C2CC2)cc1 ZINC000637901963 1129236275 /nfs/dbraw/zinc/23/62/75/1129236275.db2.gz ONGLHYXGEUYTQA-YOEHRIQHSA-N 0 1 283.419 3.873 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000162542734 959216710 /nfs/dbraw/zinc/21/67/10/959216710.db2.gz VZAMDNFNEWEXOB-NSHDSACASA-N 0 1 299.773 3.556 20 0 CHADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1CCC1CCCCCC1 ZINC001594214205 959316982 /nfs/dbraw/zinc/31/69/82/959316982.db2.gz UPCLDKPEQBFCJT-UKRRQHHQSA-N 0 1 267.413 3.675 20 0 CHADMN Cc1oc(C[NH2+][C@@H](C)c2ccccc2Cl)cc1C(=O)[O-] ZINC000235523849 960453909 /nfs/dbraw/zinc/45/39/09/960453909.db2.gz VDJGCTYWTOFNOK-VIFPVBQESA-N 0 1 293.750 3.790 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)cc1Cl ZINC000235875444 960523628 /nfs/dbraw/zinc/52/36/28/960523628.db2.gz OFRMKVIXXHILPF-ZDUSSCGKSA-N 0 1 295.810 3.725 20 0 CHADMN C[N@@H+](CC(=O)[O-])Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC001604114002 972516998 /nfs/dbraw/zinc/51/69/98/972516998.db2.gz VPQMBDXYQKWWAY-UHFFFAOYSA-N 0 1 289.762 3.523 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC001603286821 972526510 /nfs/dbraw/zinc/52/65/10/972526510.db2.gz MCUDFFGUHLCNFB-MNOVXSKESA-N 0 1 299.773 3.727 20 0 CHADMN Cc1noc(C)c1CN(C)[C@H](C)c1cccc(C)c1 ZINC000072513675 1117756827 /nfs/dbraw/zinc/75/68/27/1117756827.db2.gz IINKSVHGWSOFKU-CYBMUJFWSA-N 0 1 258.365 3.793 20 0 CHADMN C[C@H]1CCCC[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001326553322 961111484 /nfs/dbraw/zinc/11/14/84/961111484.db2.gz RBGLLSZSLZBXKP-FZMZJTMJSA-N 0 1 281.783 3.588 20 0 CHADMN CCC[N@H+](CC(=O)[O-])C[C@@H](C)CSc1ccccc1C ZINC001573853940 961135575 /nfs/dbraw/zinc/13/55/75/961135575.db2.gz ITSVSIXLKSNKCA-CYBMUJFWSA-N 0 1 295.448 3.520 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000252610812 961280147 /nfs/dbraw/zinc/28/01/47/961280147.db2.gz VBBRDKXEWZEVCF-XJKCOSOUSA-N 0 1 289.419 3.840 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC000252610810 961281326 /nfs/dbraw/zinc/28/13/26/961281326.db2.gz VBBRDKXEWZEVCF-IOASZLSFSA-N 0 1 289.419 3.840 20 0 CHADMN CCC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001329694792 961302423 /nfs/dbraw/zinc/30/24/23/961302423.db2.gz GWNMTCUMIXRSEH-WFASDCNBSA-N 0 1 295.810 3.978 20 0 CHADMN C[C@@H](C1CC1)N(Cc1nc(-c2ccsc2)no1)C1CC1 ZINC000047908400 1125479079 /nfs/dbraw/zinc/47/90/79/1125479079.db2.gz VRMCXEBAGBZTFT-JTQLQIEISA-N 0 1 289.404 3.561 20 0 CHADMN CC(C)(C)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000262743383 961842104 /nfs/dbraw/zinc/84/21/04/961842104.db2.gz ASKDLKNPRHAJPX-CQSZACIVSA-N 0 1 275.392 3.643 20 0 CHADMN CC(C)CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588867611 962027664 /nfs/dbraw/zinc/02/76/64/962027664.db2.gz WFNUFCAEQUNVLD-DLBZAZTESA-N 0 1 289.419 3.613 20 0 CHADMN CC1CCC(O)(CN2CCCC[C@H]2c2nccs2)CC1 ZINC000130319142 1125480740 /nfs/dbraw/zinc/48/07/40/1125480740.db2.gz BXLPGNSJNNBTQW-BBBYJDLNSA-N 0 1 294.464 3.611 20 0 CHADMN CC1(C)CCCN1Cc1csc(-c2ccccn2)n1 ZINC000111689806 1125483232 /nfs/dbraw/zinc/48/32/32/1125483232.db2.gz UMZWXYRGWMVDFO-UHFFFAOYSA-N 0 1 273.405 3.580 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000316118844 963978517 /nfs/dbraw/zinc/97/85/17/963978517.db2.gz STJXLKWWLCJGMD-ZWKOTPCHSA-N 0 1 295.382 3.822 20 0 CHADMN CC(C)c1cnc(CN(C)CCc2ccccc2)s1 ZINC000182977853 1118034738 /nfs/dbraw/zinc/03/47/38/1118034738.db2.gz FICGXSNDJDGKER-UHFFFAOYSA-N 0 1 274.433 3.941 20 0 CHADMN COc1ccc(Cl)cc1CNCc1ccccc1C ZINC000037979048 1118059862 /nfs/dbraw/zinc/05/98/62/1118059862.db2.gz FFVZXYVEWVIERK-UHFFFAOYSA-N 0 1 275.779 3.947 20 0 CHADMN C[C@H]1CN(Cc2ccc(Cl)cc2Cl)CCC[C@H]1O ZINC001203388372 1118075155 /nfs/dbraw/zinc/07/51/55/1118075155.db2.gz CVVAEEKBFGAWLC-IINYFYTJSA-N 0 1 288.218 3.586 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000086784383 967574919 /nfs/dbraw/zinc/57/49/19/967574919.db2.gz TVULKWUVWLORKY-DOTOQJQBSA-N 0 1 275.392 3.715 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C)c(Cl)c2)C1 ZINC000234103287 967752127 /nfs/dbraw/zinc/75/21/27/967752127.db2.gz ROEOOYOAYCVZHC-INIZCTEOSA-N 0 1 295.810 3.725 20 0 CHADMN Cc1cc(C)c([C@H](C)[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c(C)c1 ZINC000398867993 968283228 /nfs/dbraw/zinc/28/32/28/968283228.db2.gz CNEPTCRJGHBUNI-VBNZEHGJSA-N 0 1 289.419 3.715 20 0 CHADMN C[C@@H](C[N@H+]1CCC[C@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000579811174 968470463 /nfs/dbraw/zinc/47/04/63/968470463.db2.gz PFYVLRLOCFLVTQ-QWHCGFSZSA-N 0 1 295.810 3.630 20 0 CHADMN O=C([O-])C[N@@H+](CCCc1cccc2ccccc21)CC1CC1 ZINC000650510621 968604023 /nfs/dbraw/zinc/60/40/23/968604023.db2.gz JYZRVPZNDKQABQ-UHFFFAOYSA-N 0 1 297.398 3.569 20 0 CHADMN CC(C)(C)c1cccc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000662201901 968752680 /nfs/dbraw/zinc/75/26/80/968752680.db2.gz VNLGGOJHHPCAFR-HNNXBMFYSA-N 0 1 289.419 3.671 20 0 CHADMN CC(C)(C)C[N@H+](CC(=O)[O-])C[C@H]1CCCCC1(C)C ZINC000662223292 968758061 /nfs/dbraw/zinc/75/80/61/968758061.db2.gz KEBGEWPJTVJPES-CYBMUJFWSA-N 0 1 269.429 3.636 20 0 CHADMN CCCCCC[N@@H+](Cc1ccco1)[C@H](C(=O)[O-])C1CC1 ZINC000903960986 969597413 /nfs/dbraw/zinc/59/74/13/969597413.db2.gz KOZJFUWQLDSTDQ-HNNXBMFYSA-N 0 1 279.380 3.525 20 0 CHADMN C[C@H](c1ccc(F)cc1)[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000317348691 970350117 /nfs/dbraw/zinc/35/01/17/970350117.db2.gz ADARMQKOBSIWMW-GFCCVEGCSA-N 0 1 299.345 3.643 20 0 CHADMN O=C([O-])[C@H]1CCCCC[N@H+]1CCC1CCCCCC1 ZINC000394522989 972718185 /nfs/dbraw/zinc/71/81/85/972718185.db2.gz BYBZHIHMUGGTKY-OAHLLOKOSA-N 0 1 267.413 3.676 20 0 CHADMN CC[N@@H+](CCCC1CCCCC1)C(C)(C)C(=O)[O-] ZINC000395231914 972782295 /nfs/dbraw/zinc/78/22/95/972782295.db2.gz WBLVTUNFJIACLQ-UHFFFAOYSA-N 0 1 255.402 3.532 20 0 CHADMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC000399484689 973222260 /nfs/dbraw/zinc/22/22/60/973222260.db2.gz BSDXXKHFLMTTJJ-JQWIXIFHSA-N 0 1 281.783 3.659 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2)CCc2ccccc21 ZINC000404722813 973744921 /nfs/dbraw/zinc/74/49/21/973744921.db2.gz VSOUCTIDRVSCTE-AWEZNQCLSA-N 0 1 295.382 3.547 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1[C@@H](C(=O)[O-])c1ccccc1 ZINC000516479652 974306812 /nfs/dbraw/zinc/30/68/12/974306812.db2.gz RJOGRDOGOPDHMK-ZTFGCOKTSA-N 0 1 295.382 3.690 20 0 CHADMN C[N@@H+](CCC1CCCCC1)Cc1ccc(C(=O)[O-])s1 ZINC000519412684 974328342 /nfs/dbraw/zinc/32/83/42/974328342.db2.gz HHUODUZYKMUMMN-UHFFFAOYSA-N 0 1 281.421 3.849 20 0 CHADMN CCC(CC)C[N@@H+](CC)Cc1csc(C(=O)[O-])c1 ZINC000519638971 974331887 /nfs/dbraw/zinc/33/18/87/974331887.db2.gz GXISFVDHUFWYEA-UHFFFAOYSA-N 0 1 269.410 3.704 20 0 CHADMN CCC(C)(C)CC[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530169179 974360183 /nfs/dbraw/zinc/36/01/83/974360183.db2.gz RDWFVTROFBYHDX-UHFFFAOYSA-N 0 1 293.382 3.708 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000565101211 974567663 /nfs/dbraw/zinc/56/76/63/974567663.db2.gz BLRPGQKOEJXJTQ-HNNXBMFYSA-N 0 1 291.391 3.831 20 0 CHADMN CC[C@@H](C)C[N@@H+](C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000565106254 974571667 /nfs/dbraw/zinc/57/16/67/974571667.db2.gz WPBGGUMUQISQLE-NOZJJQNGSA-N 0 1 287.762 3.583 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](C)Cc1csc(C(=O)[O-])c1 ZINC000566357671 974607367 /nfs/dbraw/zinc/60/73/67/974607367.db2.gz HWHGQUXWSZZJBZ-LLVKDONJSA-N 0 1 275.373 3.639 20 0 CHADMN C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000566358461 974607587 /nfs/dbraw/zinc/60/75/87/974607587.db2.gz WYKBYVIHYWXWNY-QMTHXVAHSA-N 0 1 299.773 3.727 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])o1)[C@H](C)c1ccc(F)cc1 ZINC000567116643 974627708 /nfs/dbraw/zinc/62/77/08/974627708.db2.gz FUPOYIGATFHUQW-LLVKDONJSA-N 0 1 291.322 3.700 20 0 CHADMN CCC[N@@H+](CCc1cccs1)[C@H](CC(C)C)C(=O)[O-] ZINC000567905806 974648452 /nfs/dbraw/zinc/64/84/52/974648452.db2.gz RXOGKNFYAWXTDZ-CQSZACIVSA-N 0 1 283.437 3.502 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000568060802 974657012 /nfs/dbraw/zinc/65/70/12/974657012.db2.gz OSPGULSGDJVGEN-OAHLLOKOSA-N 0 1 287.384 3.783 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000570050436 974704208 /nfs/dbraw/zinc/70/42/08/974704208.db2.gz DIWQJJLDICJQKE-OAHLLOKOSA-N 0 1 281.421 3.849 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000570574948 974714830 /nfs/dbraw/zinc/71/48/30/974714830.db2.gz CHVVMTDNWCVEEY-MPKXVKKWSA-N 0 1 293.432 3.908 20 0 CHADMN C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)CC1(C(=O)[O-])CC1 ZINC000571691993 974734556 /nfs/dbraw/zinc/73/45/56/974734556.db2.gz WGTILWGDJMVDIY-VXGBXAGGSA-N 0 1 295.810 3.629 20 0 CHADMN CCC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C)C1 ZINC000572127749 974742018 /nfs/dbraw/zinc/74/20/18/974742018.db2.gz RJEPXDZQOONBQS-GOEBONIOSA-N 0 1 275.392 3.633 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)CCc1cccc2ccccc21 ZINC000572967514 974756807 /nfs/dbraw/zinc/75/68/07/974756807.db2.gz IVYYMTVDQJLCAJ-GOSISDBHSA-N 0 1 299.414 3.958 20 0 CHADMN Cc1cc([C@@H](C)[N@H+]2CC[C@@H](C)C(C)(C)C2)oc1C(=O)[O-] ZINC000579248521 974871922 /nfs/dbraw/zinc/87/19/22/974871922.db2.gz OCQPKCYFOYPLIQ-VXGBXAGGSA-N 0 1 279.380 3.715 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCCC2(CCCCC2)C1 ZINC000579364321 974873964 /nfs/dbraw/zinc/87/39/64/974873964.db2.gz CRCFPZMGJXAXQX-CQSZACIVSA-N 0 1 267.413 3.676 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2ccc(C(=O)[O-])cn2)CC1 ZINC000579365146 974875227 /nfs/dbraw/zinc/87/52/27/974875227.db2.gz ORVAZEMXNRPYPM-UHFFFAOYSA-N 0 1 290.407 3.572 20 0 CHADMN C[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000580085464 974888916 /nfs/dbraw/zinc/88/89/16/974888916.db2.gz TYISVIBOHKTYAO-QWRGUYRKSA-N 0 1 281.783 3.659 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCCCC(=O)[O-])o1 ZINC000580319229 974891811 /nfs/dbraw/zinc/89/18/11/974891811.db2.gz BCPSUIXOZYHOAT-GXTWGEPZSA-N 0 1 279.380 3.616 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C(C)C)C1CCC1 ZINC000580839089 974900697 /nfs/dbraw/zinc/90/06/97/974900697.db2.gz ZDOYHMLESKHZBZ-UHFFFAOYSA-N 0 1 267.394 3.518 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000582425818 974926074 /nfs/dbraw/zinc/92/60/74/974926074.db2.gz PFDNPNCYYSOSHH-YQQAZPJKSA-N 0 1 289.419 3.816 20 0 CHADMN CC[C@]1(C)CCC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000583267913 974938763 /nfs/dbraw/zinc/93/87/63/974938763.db2.gz JANIRPTWTJWMPQ-GOEBONIOSA-N 0 1 295.810 3.978 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)o1 ZINC000583757896 974945731 /nfs/dbraw/zinc/94/57/31/974945731.db2.gz LHBUYNRRLUOCRX-MRXNPFEDSA-N 0 1 297.354 3.630 20 0 CHADMN CC[N@@H+](CCc1ccccc1)[C@H](C(=O)[O-])c1ccccc1C ZINC000584058238 974949587 /nfs/dbraw/zinc/94/95/87/974949587.db2.gz NGHHGJJMPDUNOD-SFHVURJKSA-N 0 1 297.398 3.685 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000629360587 975082297 /nfs/dbraw/zinc/08/22/97/975082297.db2.gz SXFBFPQSVCTELZ-RHSMWYFYSA-N 0 1 289.419 3.714 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000629376259 975090834 /nfs/dbraw/zinc/09/08/34/975090834.db2.gz TYIITIDRPWXWMG-FGTRRKKMSA-N 0 1 277.364 3.717 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](C2CC2)C2CCCCC2)c(F)c1 ZINC000652401033 975522002 /nfs/dbraw/zinc/52/20/02/975522002.db2.gz GDMQGRDDWJRJRZ-UHFFFAOYSA-N 0 1 291.366 3.821 20 0 CHADMN C[N@@H+](CCCCC(F)(F)F)Cc1ccc(C(=O)[O-])cc1 ZINC000652459217 975541384 /nfs/dbraw/zinc/54/13/84/975541384.db2.gz BUQNHYVZVOWWKZ-UHFFFAOYSA-N 0 1 289.297 3.549 20 0 CHADMN CCc1cccc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000652498660 975562208 /nfs/dbraw/zinc/56/22/08/975562208.db2.gz OYYFGPMDMLNXLF-MRXNPFEDSA-N 0 1 289.419 3.572 20 0 CHADMN C[C@H](C[N@@H+](CCC1CCCCCC1)C1CC1)C(=O)[O-] ZINC000656191142 975644803 /nfs/dbraw/zinc/64/48/03/975644803.db2.gz NAJGITIOKOVSOR-CYBMUJFWSA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H](CCF)C1 ZINC000656762194 975689229 /nfs/dbraw/zinc/68/92/29/975689229.db2.gz AMAQVPURKGEUSH-RISCZKNCSA-N 0 1 299.773 3.537 20 0 CHADMN CC[C@@H](CC(F)F)C[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000659789955 975875425 /nfs/dbraw/zinc/87/54/25/975875425.db2.gz XCKZQJBTVDMDTP-ZDUSSCGKSA-N 0 1 299.361 3.645 20 0 CHADMN CCCCC[C@H]1CCCC[N@H+]1Cc1occc1C(=O)[O-] ZINC000659804036 975895113 /nfs/dbraw/zinc/89/51/13/975895113.db2.gz SRQSOFITZYASBW-ZDUSSCGKSA-N 0 1 279.380 3.913 20 0 CHADMN C[N@@H+](C[C@H]1CC1(C)C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000663318636 975943793 /nfs/dbraw/zinc/94/37/93/975943793.db2.gz WZVNOAUDBVSVCE-NOZJJQNGSA-N 0 1 299.773 3.583 20 0 CHADMN CCC(CC)C[N@@H+](CC)Cc1cc(C(=O)[O-])cs1 ZINC000711384169 977539422 /nfs/dbraw/zinc/53/94/22/977539422.db2.gz FVQGNIPCTSJJMC-UHFFFAOYSA-N 0 1 269.410 3.704 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@H](C)c1nc(C(=O)[O-])co1)C1CCCCC1 ZINC001592578836 978486496 /nfs/dbraw/zinc/48/64/96/978486496.db2.gz HUULCRRNNCSHCD-NWDGAFQWSA-N 0 1 294.395 3.582 20 0 CHADMN O=C([O-])c1ccc(Cl)c(C[N@H+]2CCC3(CCCC3)C2)c1 ZINC000846244080 979420964 /nfs/dbraw/zinc/42/09/64/979420964.db2.gz FMYKUMFCVYBKEK-UHFFFAOYSA-N 0 1 293.794 3.804 20 0 CHADMN O=C([O-])[C@H](c1cccc(Cl)c1)[N@H+]1CCC2(CCCC2)C1 ZINC000846245328 979422734 /nfs/dbraw/zinc/42/27/34/979422734.db2.gz VEADQZNUCOSDHX-AWEZNQCLSA-N 0 1 293.794 3.732 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](Cc2ccccc2CC(=O)[O-])C1 ZINC000846249478 979424555 /nfs/dbraw/zinc/42/45/55/979424555.db2.gz QCZYEDROEAWLMM-SFHVURJKSA-N 0 1 289.419 3.716 20 0 CHADMN Cc1ccc(C)c(C[N@@H+](C)Cc2ccccc2CC(=O)[O-])c1 ZINC000846253974 979427007 /nfs/dbraw/zinc/42/70/07/979427007.db2.gz HNDHTBOCSOGFIV-UHFFFAOYSA-N 0 1 297.398 3.563 20 0 CHADMN C[C@@H](C[N@@H+](Cc1cc2ccccc2s1)C1CC1)C(=O)[O-] ZINC000846276487 979444446 /nfs/dbraw/zinc/44/44/46/979444446.db2.gz SSXOWRBCRNDPMI-NSHDSACASA-N 0 1 289.400 3.586 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000859779790 979627625 /nfs/dbraw/zinc/62/76/25/979627625.db2.gz OBYLPTTYVWUSQG-ZDUSSCGKSA-N 0 1 299.370 3.877 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000872156819 980038470 /nfs/dbraw/zinc/03/84/70/980038470.db2.gz FVSDVKAOMYSMPR-KRWDZBQOSA-N 0 1 295.382 3.683 20 0 CHADMN O=C([O-])c1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)cc1 ZINC000883519530 980206760 /nfs/dbraw/zinc/20/67/60/980206760.db2.gz UUABMOHALXCJDB-IAGOWNOFSA-N 0 1 299.345 3.500 20 0 CHADMN COCc1ccc(F)c(-c2cc(F)c(O)cc2F)c1 ZINC001211351931 1118507148 /nfs/dbraw/zinc/50/71/48/1118507148.db2.gz GTPKQNQYRPJYPJ-UHFFFAOYSA-N 0 1 268.234 3.623 20 0 CHADMN C/C=C\C[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])c(CC)o2)C1 ZINC000901542292 980370834 /nfs/dbraw/zinc/37/08/34/980370834.db2.gz COIIHFAANFQUHJ-DXTPNHAXSA-N 0 1 291.391 3.718 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@H](C)c1cc(F)cc(F)c1 ZINC000901591748 980396755 /nfs/dbraw/zinc/39/67/55/980396755.db2.gz HYAQWWGLLCNQCA-LBPRGKRZSA-N 0 1 299.361 3.501 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000901702006 980457322 /nfs/dbraw/zinc/45/73/22/980457322.db2.gz ZLXKDPAHSWXTNL-INIZCTEOSA-N 0 1 295.810 3.644 20 0 CHADMN CC(C)C[N@@H+](CCC(C)(C)C1CC1)CC(C)(C)C(=O)[O-] ZINC000901838179 980557109 /nfs/dbraw/zinc/55/71/09/980557109.db2.gz RRWYRIPIEUVJPJ-UHFFFAOYSA-N 0 1 283.456 3.882 20 0 CHADMN CC(C)C[N@@H+](C[C@@H](C)c1ccccc1)CC(C)(C)C(=O)[O-] ZINC000901840231 980559151 /nfs/dbraw/zinc/55/91/51/980559151.db2.gz DTWVIKMFBYJBBP-OAHLLOKOSA-N 0 1 291.435 3.859 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000901897906 980609171 /nfs/dbraw/zinc/60/91/71/980609171.db2.gz UVGBFRPVGRLAMK-RRQGHBQHSA-N 0 1 293.451 3.636 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@@H+](CCC(=O)[O-])C(C)C ZINC000901978101 980658529 /nfs/dbraw/zinc/65/85/29/980658529.db2.gz GFRQFKOAWPFYGM-HNNXBMFYSA-N 0 1 269.429 3.944 20 0 CHADMN C[N@@H+](CCC(C)(C)C1CC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000901980484 980659718 /nfs/dbraw/zinc/65/97/18/980659718.db2.gz WGECZLFXWIZCLA-OAHLLOKOSA-N 0 1 275.392 3.570 20 0 CHADMN CC[C@@H](C)[N@@H+](C/C=C\c1c(C)cc(C)cc1C)CC(=O)[O-] ZINC000901985294 980667016 /nfs/dbraw/zinc/66/70/16/980667016.db2.gz OPKUTDBHYZFOFD-XITLMJRVSA-N 0 1 289.419 3.810 20 0 CHADMN CCSc1cccc(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])c1 ZINC000902039570 980710421 /nfs/dbraw/zinc/71/04/21/980710421.db2.gz ZOBIUTLFWLCLCO-OAHLLOKOSA-N 0 1 293.432 3.628 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001595364357 980793078 /nfs/dbraw/zinc/79/30/78/980793078.db2.gz QMRFSUWOTZIXFP-JFIYKMOQSA-N 0 1 287.403 3.715 20 0 CHADMN CCC[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])c(CC)o2)C1 ZINC000902324162 980832697 /nfs/dbraw/zinc/83/26/97/980832697.db2.gz BYPBNFBCBIKPRR-LBPRGKRZSA-N 0 1 279.380 3.552 20 0 CHADMN CC1CCC([N@@H+](CCC(C)(C)C(=O)[O-])C2CC2)CC1 ZINC000902512856 980915797 /nfs/dbraw/zinc/91/57/97/980915797.db2.gz QABURXWGPDROMQ-UHFFFAOYSA-N 0 1 267.413 3.530 20 0 CHADMN C[C@@H]1CC[N@@H+](CCC(C)(C)C(=O)[O-])[C@@H](c2ccco2)C1 ZINC000902521129 980918647 /nfs/dbraw/zinc/91/86/47/980918647.db2.gz NLRCIQIQBOBZAR-CHWSQXEVSA-N 0 1 279.380 3.554 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000902521266 980919322 /nfs/dbraw/zinc/91/93/22/980919322.db2.gz PLWBVCZKLQDCFT-HUUCEWRRSA-N 0 1 289.419 3.674 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])cc1C(F)(F)F)C(C)C ZINC000902523178 980920123 /nfs/dbraw/zinc/92/01/23/980920123.db2.gz FUGFTIAZWAWPGN-UHFFFAOYSA-N 0 1 289.297 3.634 20 0 CHADMN C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000902529596 980922940 /nfs/dbraw/zinc/92/29/40/980922940.db2.gz KMLGIOHTJZILCW-SWLSCSKDSA-N 0 1 293.382 3.710 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3ccoc3C(=O)[O-])C2)cc1 ZINC000902545750 980928066 /nfs/dbraw/zinc/92/80/66/980928066.db2.gz KWVFBYWDKSWLFL-XJKSGUPXSA-N 0 1 299.370 3.664 20 0 CHADMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902545589 980928415 /nfs/dbraw/zinc/92/84/15/980928415.db2.gz IWVHFMCDKJBKKK-WBMJQRKESA-N 0 1 298.386 3.553 20 0 CHADMN O=C([O-])c1ccc2c(c1)CC[N@H+](CCC1=CCCCC1)C2 ZINC000903617204 980995649 /nfs/dbraw/zinc/99/56/49/980995649.db2.gz RKBIXAYQNCVYGQ-UHFFFAOYSA-N 0 1 285.387 3.633 20 0 CHADMN Cc1ccc2ccccc2c1C[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000903631172 981007295 /nfs/dbraw/zinc/00/72/95/981007295.db2.gz NZLJFNBKSLJYEB-GDBMZVCRSA-N 0 1 297.398 3.691 20 0 CHADMN O=C([O-])[C@]12C[N@@H+](CC3CCC4(CC4)CC3)C[C@H]1CCCC2 ZINC000903909447 981033519 /nfs/dbraw/zinc/03/35/19/981033519.db2.gz ISOMNPVOMUCOOJ-CRAIPNDOSA-N 0 1 291.435 3.534 20 0 CHADMN CCC[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])co1)c1ccccn1 ZINC001595601139 981586704 /nfs/dbraw/zinc/58/67/04/981586704.db2.gz VDCCXRVTHRASMD-FZMZJTMJSA-N 0 1 288.347 3.565 20 0 CHADMN CCC[C@@]1(C)CCC[N@H+]([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001595617574 981654661 /nfs/dbraw/zinc/65/46/61/981654661.db2.gz QZUQKKJTSXZWOX-NHYWBVRUSA-N 0 1 296.436 3.805 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001595628870 981791723 /nfs/dbraw/zinc/79/17/23/981791723.db2.gz OSZCOUREUIMSTC-HIFRSBDPSA-N 0 1 295.810 3.773 20 0 CHADMN CC[C@@](C)(C(=O)[O-])[N@@H+](CCC1CCCCC1)CC1CC1 ZINC001594787353 981817255 /nfs/dbraw/zinc/81/72/55/981817255.db2.gz AXJHAXFJMQZTAO-KRWDZBQOSA-N 0 1 281.440 3.922 20 0 CHADMN CCCC[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])c(C)c1 ZINC001595631149 981834443 /nfs/dbraw/zinc/83/44/43/981834443.db2.gz DXSGTZJJQVDIBO-CYBMUJFWSA-N 0 1 263.381 3.704 20 0 CHADMN CCC(C)(C)c1ccc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC001594814834 981941043 /nfs/dbraw/zinc/94/10/43/981941043.db2.gz YLVHJEXYANIMOX-SFHVURJKSA-N 0 1 289.419 3.813 20 0 CHADMN CCCCC[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC001595690938 982203231 /nfs/dbraw/zinc/20/32/31/982203231.db2.gz XQAPFTJLRNQWGV-ZDUSSCGKSA-N 0 1 281.421 3.991 20 0 CHADMN Clc1cccc(Cl)c1CCCNCc1ccon1 ZINC000684614052 1118903661 /nfs/dbraw/zinc/90/36/61/1118903661.db2.gz RBNOWTFYBBLXKZ-UHFFFAOYSA-N 0 1 285.174 3.704 20 0 CHADMN CCC[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC001595885718 982908966 /nfs/dbraw/zinc/90/89/66/982908966.db2.gz CRODWKSSOQIUOX-KRWDZBQOSA-N 0 1 298.386 3.612 20 0 CHADMN CCC[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccc(F)cc1 ZINC001595888644 982918907 /nfs/dbraw/zinc/91/89/07/982918907.db2.gz RXHAISRRMUKJRZ-UHFFFAOYSA-N 0 1 291.322 3.529 20 0 CHADMN C[C@H]1CCCC[C@H]1CSc1n[nH]c(C2CC2)n1 ZINC000657241219 1118931654 /nfs/dbraw/zinc/93/16/54/1118931654.db2.gz PGWXKDVVPJMLNF-ONGXEEELSA-N 0 1 251.399 3.601 20 0 CHADMN C[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)CC1 ZINC001118315418 982951825 /nfs/dbraw/zinc/95/18/25/982951825.db2.gz ACNFPILDZIRMMA-FZMZJTMJSA-N 0 1 281.783 3.588 20 0 CHADMN CC(C)Oc1ccc(CN[C@@H](C)c2ccc(F)cc2)cn1 ZINC000112529449 1125487474 /nfs/dbraw/zinc/48/74/74/1125487474.db2.gz ZAAKYKQVWDEYHF-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN CC[N@@H+](CCC1CC1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001596320706 983751059 /nfs/dbraw/zinc/75/10/59/983751059.db2.gz ICTCPDYBIXURCY-CQSZACIVSA-N 0 1 281.783 3.588 20 0 CHADMN CC[N@@H+](Cc1csc(C(=O)[O-])c1)[C@@H]1CCCC[C@H]1C ZINC001596377564 983886819 /nfs/dbraw/zinc/88/68/19/983886819.db2.gz FAKZJTGFOGXDRZ-DGCLKSJQSA-N 0 1 281.421 3.847 20 0 CHADMN CCCCN(C(=O)CN(C)CC(C)(C)C)c1ccccc1 ZINC001137203080 1125489936 /nfs/dbraw/zinc/48/99/36/1125489936.db2.gz LBIOTUGDHHWWKQ-UHFFFAOYSA-N 0 1 290.451 3.798 20 0 CHADMN CCOc1cccc([C@H](C)N[C@H](C)c2cncs2)c1 ZINC000120576048 1119243902 /nfs/dbraw/zinc/24/39/02/1119243902.db2.gz GQOOAMRAXVKNQV-NWDGAFQWSA-N 0 1 276.405 3.954 20 0 CHADMN CC[C@@H](NCc1ccsc1)c1ccc(F)cn1 ZINC000131324288 1125490458 /nfs/dbraw/zinc/49/04/58/1125490458.db2.gz YTQKPYZJKKDTKB-GFCCVEGCSA-N 0 1 250.342 3.523 20 0 CHADMN CC[C@@H](NCc1ccc(C)s1)c1ccc(F)cn1 ZINC000131313331 1125490887 /nfs/dbraw/zinc/49/08/87/1125490887.db2.gz CCPPLTKOXGMBAY-CYBMUJFWSA-N 0 1 264.369 3.832 20 0 CHADMN C/C(=C\C[N@H+]1CCCCC12CCCCCC2)C(=O)[O-] ZINC001588959928 984727786 /nfs/dbraw/zinc/72/77/86/984727786.db2.gz USEBQVVUZUMIJS-RIYZIHGNSA-N 0 1 265.397 3.596 20 0 CHADMN CO[C@@H](CNCc1ncc(C(C)C)s1)C1CCCC1 ZINC000657768036 1119373167 /nfs/dbraw/zinc/37/31/67/1119373167.db2.gz TWIRZXWVVZKAJN-ZDUSSCGKSA-N 0 1 282.453 3.561 20 0 CHADMN Cc1cc(CN2CCC[C@](C)(c3ccccc3)C2)no1 ZINC000113264914 1125492341 /nfs/dbraw/zinc/49/23/41/1125492341.db2.gz NPYFCTWWLVTWNK-KRWDZBQOSA-N 0 1 270.376 3.537 20 0 CHADMN CCN(Cc1nnc(-c2ccc(Cl)cc2)o1)CC1CC1 ZINC000112983716 1125492416 /nfs/dbraw/zinc/49/24/16/1125492416.db2.gz VTCLPLCYVVFNNF-UHFFFAOYSA-N 0 1 291.782 3.622 20 0 CHADMN CC(C)(C)[C@H]1CC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000393381698 1119403506 /nfs/dbraw/zinc/40/35/06/1119403506.db2.gz OFJJUXJSHFEUJR-LBPRGKRZSA-N 0 1 267.800 3.914 20 0 CHADMN CC(C)(C)[C@H]1CC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000393381698 1119403508 /nfs/dbraw/zinc/40/35/08/1119403508.db2.gz OFJJUXJSHFEUJR-LBPRGKRZSA-N 0 1 267.800 3.914 20 0 CHADMN Cc1[nH]c(C[N@H+](C)C[C@@H](C)C2CCCCC2)cc1C(=O)[O-] ZINC001599962677 985818212 /nfs/dbraw/zinc/81/82/12/985818212.db2.gz RPAKGTBSUZATDE-GFCCVEGCSA-N 0 1 292.423 3.670 20 0 CHADMN Clc1ccccc1NCc1ccc2nc[nH]c2c1 ZINC000536607289 1125494464 /nfs/dbraw/zinc/49/44/64/1125494464.db2.gz CVBNMTCTIJUJJD-UHFFFAOYSA-N 0 1 257.724 3.828 20 0 CHADMN CCC[C@H]1CCC[C@H]1c1nc(C2(N)CCCCC2)no1 ZINC000331606244 1125495148 /nfs/dbraw/zinc/49/51/48/1125495148.db2.gz QWUCJOAPAFFYAS-QWHCGFSZSA-N 0 1 277.412 3.872 20 0 CHADMN C[C@@H]1[C@H](C)C[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)[C@H]1C ZINC001594536445 986152466 /nfs/dbraw/zinc/15/24/66/986152466.db2.gz QLSQEKQORCRPJW-MXWKQRLJSA-N 0 1 281.783 3.515 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)CC(C)(C)C1 ZINC001594542302 986182457 /nfs/dbraw/zinc/18/24/57/986182457.db2.gz JLEYRDDJOPSHET-LLVKDONJSA-N 0 1 295.810 3.906 20 0 CHADMN Cc1cn[nH]c1CNc1ccccc1CCC(C)C ZINC000685618974 1119639348 /nfs/dbraw/zinc/63/93/48/1119639348.db2.gz KOVUNJLVSVUHLU-UHFFFAOYSA-N 0 1 257.381 3.919 20 0 CHADMN C/C=C\C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(C)c2)C1 ZINC001594686518 987067342 /nfs/dbraw/zinc/06/73/42/987067342.db2.gz XKGUVTJCXGLXMM-JZIMQPMSSA-N 0 1 287.403 3.871 20 0 CHADMN CCc1ccc(C2=CC[N@@H+](CCCCC(=O)[O-])CC2)cc1 ZINC001597517406 988132962 /nfs/dbraw/zinc/13/29/62/988132962.db2.gz MDDWLQZYWJXQQC-UHFFFAOYSA-N 0 1 287.403 3.593 20 0 CHADMN CCc1cccc(C[N@H+]2CCc3cccc(C(=O)[O-])c3C2)c1 ZINC001597587303 988410914 /nfs/dbraw/zinc/41/09/14/988410914.db2.gz WQPPTIAKRPQUGK-UHFFFAOYSA-N 0 1 295.382 3.506 20 0 CHADMN CCc1cccc(C[N@@H+](CC2CC2)[C@@](C)(CC)C(=O)[O-])c1 ZINC001597587247 988410948 /nfs/dbraw/zinc/41/09/48/988410948.db2.gz SQBILZFNMYXCED-SFHVURJKSA-N 0 1 289.419 3.714 20 0 CHADMN CCOC(=O)[C@H](CC)N1CCC(C2CCCCC2)CC1 ZINC000708784646 1119842553 /nfs/dbraw/zinc/84/25/53/1119842553.db2.gz OFYPYISEAYEDKY-INIZCTEOSA-N 0 1 281.440 3.620 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccsc1)c1ccc(F)cn1 ZINC000134019731 1119917723 /nfs/dbraw/zinc/91/77/23/1119917723.db2.gz WCIDBWMFLYMIAP-VHSXEESVSA-N 0 1 250.342 3.694 20 0 CHADMN COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)C2(C)CC2)c1[O-] ZINC000184702319 1129237012 /nfs/dbraw/zinc/23/70/12/1129237012.db2.gz ZXKQYDWDPXUBJW-JTQLQIEISA-N 0 1 283.799 3.675 20 0 CHADMN C[C@H](NCc1ccc(F)c(F)c1)c1ccsc1 ZINC000050344766 1125504639 /nfs/dbraw/zinc/50/46/39/1125504639.db2.gz UFKHRIXWYPQTKI-VIFPVBQESA-N 0 1 253.317 3.877 20 0 CHADMN COc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1[O-] ZINC000184702319 1129237013 /nfs/dbraw/zinc/23/70/13/1129237013.db2.gz ZXKQYDWDPXUBJW-JTQLQIEISA-N 0 1 283.799 3.675 20 0 CHADMN CCOC(=O)CCCCN(CC)Cc1c(F)cccc1F ZINC000132730711 1125505542 /nfs/dbraw/zinc/50/55/42/1125505542.db2.gz OEUAUJPJXYSCNN-UHFFFAOYSA-N 0 1 299.361 3.520 20 0 CHADMN CCc1oc(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC001597792684 989333985 /nfs/dbraw/zinc/33/39/85/989333985.db2.gz FAKOLFXJPIFMCS-NWDGAFQWSA-N 0 1 279.380 3.551 20 0 CHADMN CCc1oc(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC001597792686 989334766 /nfs/dbraw/zinc/33/47/66/989334766.db2.gz FAKOLFXJPIFMCS-VXGBXAGGSA-N 0 1 279.380 3.551 20 0 CHADMN CCc1oc(C[N@H+]2CCc3ccccc3[C@@H]2C)cc1C(=O)[O-] ZINC001597798609 989369705 /nfs/dbraw/zinc/36/97/05/989369705.db2.gz DGLBEOXZXKPQDL-LBPRGKRZSA-N 0 1 299.370 3.660 20 0 CHADMN CCN(Cc1ccoc1C)[C@@H](C)c1cccc(O)c1 ZINC000414370561 1120002394 /nfs/dbraw/zinc/00/23/94/1120002394.db2.gz KPFIJBRIDWQFSI-LBPRGKRZSA-N 0 1 259.349 3.877 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000088256161 1120019220 /nfs/dbraw/zinc/01/92/20/1120019220.db2.gz BFTCKUYKLNOUCW-LLVKDONJSA-N 0 1 281.783 3.588 20 0 CHADMN CC(C)c1ccccc1C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000903705993 1120134654 /nfs/dbraw/zinc/13/46/54/1120134654.db2.gz CBQGONHKGYRTSS-UHFFFAOYSA-N 0 1 277.408 3.743 20 0 CHADMN C[N@@H+](C[C@H]1CCCCC1(C)C)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598455578 991931996 /nfs/dbraw/zinc/93/19/96/991931996.db2.gz RIHKCSIXGOSFMU-HZPDHXFCSA-N 0 1 289.419 3.961 20 0 CHADMN CC(C)CC[C@@H]1CCCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC001591227373 992098531 /nfs/dbraw/zinc/09/85/31/992098531.db2.gz DZIRTVRPWXVFBL-AWEZNQCLSA-N 0 1 267.413 3.532 20 0 CHADMN CCOC(=O)CCCN(C)[C@@H](C)c1ccccc1Cl ZINC000338731679 1120220249 /nfs/dbraw/zinc/22/02/49/1120220249.db2.gz DMEUHHGJNDIGMH-LBPRGKRZSA-N 0 1 283.799 3.676 20 0 CHADMN CC(C)C[N@@H+]([C@H](C)c1ncc(C(=O)[O-])s1)C1CCCC1 ZINC001591289740 992234227 /nfs/dbraw/zinc/23/42/27/992234227.db2.gz KOJUJYYBTRZFCJ-LLVKDONJSA-N 0 1 296.436 3.803 20 0 CHADMN C[N@H+](Cc1ccc(C2(C(=O)[O-])CC2)cc1)C[C@H]1CC=CCC1 ZINC001598517303 992632093 /nfs/dbraw/zinc/63/20/93/992632093.db2.gz BBASXPGJQOHUOK-HNNXBMFYSA-N 0 1 299.414 3.591 20 0 CHADMN C[N@@H+](Cc1ccoc1C(=O)[O-])Cc1cccc2ccccc21 ZINC001598532402 992798450 /nfs/dbraw/zinc/79/84/50/992798450.db2.gz NBJDVGQFKMLUKF-UHFFFAOYSA-N 0 1 295.338 3.763 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)[C@@H](C)c1ccsc1 ZINC001591596395 992821492 /nfs/dbraw/zinc/82/14/92/992821492.db2.gz AEQSFUXSZFTUDQ-NSHDSACASA-N 0 1 292.404 3.746 20 0 CHADMN CC1(C)C[C@H](N2CC[C@@H]2c2ccc(Cl)cc2)CO1 ZINC000659985349 1120323402 /nfs/dbraw/zinc/32/34/02/1120323402.db2.gz HVEDXUBUFJDAHL-UONOGXRCSA-N 0 1 265.784 3.654 20 0 CHADMN Cc1nc(CN(C)C2CCC(C)(C)CC2)c(C)o1 ZINC000659997966 1120331973 /nfs/dbraw/zinc/33/19/73/1120331973.db2.gz VRKOSZFFOPFAAB-UHFFFAOYSA-N 0 1 250.386 3.692 20 0 CHADMN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])co1)c1ccc(Cl)c(F)c1 ZINC001593288317 994653767 /nfs/dbraw/zinc/65/37/67/994653767.db2.gz GGZCFAYZZRPXQD-MRVPVSSYSA-N 0 1 297.713 3.621 20 0 CHADMN CSc1cccc(CN[C@H](C)c2c(C)noc2C)c1 ZINC000660196371 1120430908 /nfs/dbraw/zinc/43/09/08/1120430908.db2.gz MBFBODMFEROXBG-SNVBAGLBSA-N 0 1 276.405 3.864 20 0 CHADMN FCC1(NCc2ccc(F)c(C(F)(F)F)c2)CCC1 ZINC000584779677 1120444173 /nfs/dbraw/zinc/44/41/73/1120444173.db2.gz IRMFGOIKCDKDNG-UHFFFAOYSA-N 0 1 279.252 3.826 20 0 CHADMN CCc1nc([C@H](C)NC[C@H](OC)C2CCCCC2)cs1 ZINC000660267447 1120474446 /nfs/dbraw/zinc/47/44/46/1120474446.db2.gz NQOUDOYTXTWYFK-WFASDCNBSA-N 0 1 296.480 3.951 20 0 CHADMN CC(C)c1cnc(CN2CC[C@H](C(C)C)C2)s1 ZINC000543394528 1120507650 /nfs/dbraw/zinc/50/76/50/1120507650.db2.gz LZNBBDVTSOFRCH-LBPRGKRZSA-N 0 1 252.427 3.744 20 0 CHADMN Fc1cccc(Cl)c1CSc1n[nH]c(C2CC2)n1 ZINC000012992208 1120635895 /nfs/dbraw/zinc/63/58/95/1120635895.db2.gz KRUYZSUZNUQPJS-UHFFFAOYSA-N 0 1 283.759 3.767 20 0 CHADMN Cc1nc(CN2CC[C@@H](C(C)(C)C)C[C@@H]2C)co1 ZINC000660556022 1120657785 /nfs/dbraw/zinc/65/77/85/1120657785.db2.gz CIKQORQALLGLLP-WCQYABFASA-N 0 1 250.386 3.630 20 0 CHADMN CC1(C)C[C@H](c2ccccc2)[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC001593863003 996661651 /nfs/dbraw/zinc/66/16/51/996661651.db2.gz AKRIMMLPTSZGHH-OAHLLOKOSA-N 0 1 299.370 3.951 20 0 CHADMN CCS[C@@H](C)c1noc(CN[C@@H](C)C2CCCC2)n1 ZINC000184642082 1120898238 /nfs/dbraw/zinc/89/82/38/1120898238.db2.gz ZHJJYOGDVQEPAY-QWRGUYRKSA-N 0 1 283.441 3.552 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H]2CCCC3(CC3)C2)n1 ZINC000663251903 1120900273 /nfs/dbraw/zinc/90/02/73/1120900273.db2.gz XSPQHIKTTUZQFL-NWDGAFQWSA-N 0 1 263.385 3.553 20 0 CHADMN CC1=C(C)C[N@@H+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001594110730 998213513 /nfs/dbraw/zinc/21/35/13/998213513.db2.gz ZXKISNMUGRCWBD-CQSZACIVSA-N 0 1 279.767 3.508 20 0 CHADMN CC1=C(C)C[N@H+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001594110730 998213526 /nfs/dbraw/zinc/21/35/26/998213526.db2.gz ZXKISNMUGRCWBD-CQSZACIVSA-N 0 1 279.767 3.508 20 0 CHADMN CC1=C(C)C[N@@H+]([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001594110728 998213890 /nfs/dbraw/zinc/21/38/90/998213890.db2.gz ZXKISNMUGRCWBD-AWEZNQCLSA-N 0 1 279.767 3.508 20 0 CHADMN CC1=C(C)C[N@H+]([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001594110728 998213895 /nfs/dbraw/zinc/21/38/95/998213895.db2.gz ZXKISNMUGRCWBD-AWEZNQCLSA-N 0 1 279.767 3.508 20 0 CHADMN O=C(Nc1cccc(F)c1Cl)c1cccc(F)c1O ZINC001128689673 1121118645 /nfs/dbraw/zinc/11/86/45/1121118645.db2.gz OWVUUYHXEMQDDP-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1CC1(CC(=O)[O-])CC1 ZINC001594270342 999044850 /nfs/dbraw/zinc/04/48/50/999044850.db2.gz STCVRGQZBCLQSA-YCPHGPKFSA-N 0 1 287.403 3.508 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@H](C)C(C)(C)C)cc1C(=O)[O-] ZINC000701831210 1121170461 /nfs/dbraw/zinc/17/04/61/1121170461.db2.gz WXAJZJLVUVNWJO-GFCCVEGCSA-N 0 1 263.381 3.560 20 0 CHADMN COC(=O)c1ncsc1NC=Cc1ccc(Cl)cc1 ZINC001175597706 1121377802 /nfs/dbraw/zinc/37/78/02/1121377802.db2.gz VMLIAZZQQRCSNU-VOTSOKGWSA-N 0 1 294.763 3.666 20 0 CHADMN COc1ccc(Cl)c(CN2CCCC(F)(F)CC2)c1 ZINC000625770734 1121490680 /nfs/dbraw/zinc/49/06/80/1121490680.db2.gz QJSBXBIBVFDVOD-UHFFFAOYSA-N 0 1 289.753 3.970 20 0 CHADMN C[C@H]1CC2(CCC2)CN1Cc1nc(C2CC2)cs1 ZINC000433262516 1121631533 /nfs/dbraw/zinc/63/15/33/1121631533.db2.gz QXNYBORMJJHENU-NSHDSACASA-N 0 1 262.422 3.785 20 0 CHADMN COc1ccccc1[C@@H]1CCCCN1C/C=C\Cl ZINC000730062097 1121790338 /nfs/dbraw/zinc/79/03/38/1121790338.db2.gz IUAKTXDMFOIRCH-APFBBLRHSA-N 0 1 265.784 3.975 20 0 CHADMN C[C@@H]1CCN(Cc2sc(N3CCCC3)nc2Cl)[C@@H]1C ZINC001179979775 1121932354 /nfs/dbraw/zinc/93/23/54/1121932354.db2.gz JUHPAFBFDVJKKW-GHMZBOCLSA-N 0 1 299.871 3.627 20 0 CHADMN C[C@H]1CN(Cc2csc(C(C)(C)C)n2)CC[C@@H]1C ZINC000501794820 1122010254 /nfs/dbraw/zinc/01/02/54/1122010254.db2.gz XIUJPAOOFNMRNI-RYUDHWBXSA-N 0 1 266.454 3.919 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cccc([O-])c2Cl)CC1(C)C ZINC001205291919 1122259909 /nfs/dbraw/zinc/25/99/09/1122259909.db2.gz RUORJNWHKLSEGH-NSHDSACASA-N 0 1 267.800 3.914 20 0 CHADMN CCC(CC)N(CCOC)Cc1cc(C(C)(C)C)on1 ZINC000514760320 1122447453 /nfs/dbraw/zinc/44/74/53/1122447453.db2.gz QRSJSPWSEVTPEN-UHFFFAOYSA-N 0 1 282.428 3.609 20 0 CHADMN C[C@H](F)CCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000505665064 1122458316 /nfs/dbraw/zinc/45/83/16/1122458316.db2.gz TUMIRXVXRPQHTE-TVRMLOFPSA-N 0 1 277.368 3.815 20 0 CHADMN COc1c(F)cc(F)cc1CN1CC[C@@H](C)C[C@@H]1C ZINC001143561194 1122542209 /nfs/dbraw/zinc/54/22/09/1122542209.db2.gz MSVNBAXJGBTRQO-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN CC(C)(C)SCCCN1CCOc2ccccc2C1 ZINC001190700046 1122551651 /nfs/dbraw/zinc/55/16/51/1122551651.db2.gz RKWOYLAWSWBFJP-UHFFFAOYSA-N 0 1 279.449 3.803 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)CCC(C)(C)C)c1 ZINC000436660962 1122570672 /nfs/dbraw/zinc/57/06/72/1122570672.db2.gz WVSUYAHRCMAJJW-UHFFFAOYSA-N 0 1 277.364 3.750 20 0 CHADMN CC1(C)CN(CCc2c(F)cccc2F)C1(C)C ZINC001191390515 1122595315 /nfs/dbraw/zinc/59/53/15/1122595315.db2.gz LOYJGFCRHSCKSP-UHFFFAOYSA-N 0 1 253.336 3.628 20 0 CHADMN CC1(C)CN(CCC2CCCC2)C[C@H](C(F)(F)F)O1 ZINC001194590343 1122784931 /nfs/dbraw/zinc/78/49/31/1122784931.db2.gz WBGPWYHBKJPVBD-GFCCVEGCSA-N 0 1 279.346 3.608 20 0 CHADMN CC1(C)CCCC[C@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000506915515 1122911704 /nfs/dbraw/zinc/91/17/04/1122911704.db2.gz GOEZUZZAQWNABX-QMMMGPOBSA-N 0 1 289.301 3.583 20 0 CHADMN CC(C)=CCC[C@H](C)CN1CCN(C(=O)C(C)(C)C)CC1 ZINC001201496573 1123110579 /nfs/dbraw/zinc/11/05/79/1123110579.db2.gz PAEXJPAIKUMZOY-INIZCTEOSA-N 0 1 294.483 3.559 20 0 CHADMN Cc1cccc(C)c1CNCc1ccc(Cl)cn1 ZINC000776254800 1123179829 /nfs/dbraw/zinc/17/98/29/1123179829.db2.gz NPPSHRUHGXESRA-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN FC(F)Oc1cccc(Cl)c1CN[C@@H]1C=CCC1 ZINC000850358428 1123255690 /nfs/dbraw/zinc/25/56/90/1123255690.db2.gz CQLDAXBAKSNQGA-SECBINFHSA-N 0 1 273.710 3.750 20 0 CHADMN C[C@H](N[C@@]1(C)CC1(C)C)c1nc(Br)cs1 ZINC000850556497 1123290626 /nfs/dbraw/zinc/29/06/26/1123290626.db2.gz QZSFITBXOQUSLW-CPCISQLKSA-N 0 1 289.242 3.745 20 0 CHADMN Fc1ccc([C@H]2CCN2CC2CC(F)(F)C2)cc1 ZINC000852466468 1123405283 /nfs/dbraw/zinc/40/52/83/1123405283.db2.gz DDSBFWTZNNBPHD-CYBMUJFWSA-N 0 1 255.283 3.618 20 0 CHADMN C[C@H](N[C@@H](C)C1CCC(F)(F)CC1)c1ncco1 ZINC000895766265 1123510512 /nfs/dbraw/zinc/51/05/12/1123510512.db2.gz QQHGBHWXRHOHEE-UWVGGRQHSA-N 0 1 258.312 3.539 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccnc(F)c2)c(C)s1 ZINC000858092088 1123630425 /nfs/dbraw/zinc/63/04/25/1123630425.db2.gz NMNBIUUPQRMTCT-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN C[C@]1(CN[C@@H]2CCCc3scnc32)CC1(Cl)Cl ZINC000858423057 1123653239 /nfs/dbraw/zinc/65/32/39/1123653239.db2.gz WZPZFAHXXBELTD-LDYMZIIASA-N 0 1 291.247 3.694 20 0 CHADMN CC1(C)CCN1Cc1cccc(F)c1OCC(F)(F)F ZINC000862246282 1123794112 /nfs/dbraw/zinc/79/41/12/1123794112.db2.gz LTDOSMJKDSHGIU-UHFFFAOYSA-N 0 1 291.288 3.751 20 0 CHADMN CC(C)(C)[C@H](CO)NCc1nc(C2CCCCC2)cs1 ZINC000444705987 1124055352 /nfs/dbraw/zinc/05/53/52/1124055352.db2.gz LZJUBGWBDRZTJO-AWEZNQCLSA-N 0 1 296.480 3.687 20 0 CHADMN CC[C@H](NCc1cc(C)oc1C)c1c(C)noc1C ZINC000123535945 1124605212 /nfs/dbraw/zinc/60/52/12/1124605212.db2.gz TVXZEGSIEOSJGE-AWEZNQCLSA-N 0 1 262.353 3.742 20 0 CHADMN COCCC1CCN(Cc2cccc(F)c2Cl)CC1 ZINC000528577946 1124694963 /nfs/dbraw/zinc/69/49/63/1124694963.db2.gz SXVDMUKSCUCEIF-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN CC(C)c1nc(CNCc2cccc(Cl)c2Cl)n[nH]1 ZINC000449404204 1124726793 /nfs/dbraw/zinc/72/67/93/1124726793.db2.gz AUNUXAQTZBWPFF-UHFFFAOYSA-N 0 1 299.205 3.525 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1ccc(Cl)nn1 ZINC000876812258 1124979231 /nfs/dbraw/zinc/97/92/31/1124979231.db2.gz SUHAIRZHTCNNKC-ZDUSSCGKSA-N 0 1 267.804 3.675 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2ccc(Cl)nn2)c1 ZINC000877012290 1124998386 /nfs/dbraw/zinc/99/83/86/1124998386.db2.gz QWTHPYQVMOVTCL-GFCCVEGCSA-N 0 1 275.783 3.598 20 0 CHADMN FC(F)CN(CC1CCC1)C[C@@H]1CCC(F)(F)C1 ZINC000450636023 1125077309 /nfs/dbraw/zinc/07/73/09/1125077309.db2.gz LQGVIUKRPWODCK-LLVKDONJSA-N 0 1 267.310 3.789 20 0 CHADMN OCCCCN(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000303365998 1125119334 /nfs/dbraw/zinc/11/93/34/1125119334.db2.gz HAFPINGHDKCEHL-UHFFFAOYSA-N 0 1 288.218 3.730 20 0 CHADMN Clc1ncsc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000878133524 1125121946 /nfs/dbraw/zinc/12/19/46/1125121946.db2.gz KWWVDAJAWRMMRP-VHSXEESVSA-N 0 1 256.802 3.561 20 0 CHADMN CCc1nc([C@@H](C)NC[C@@H]2CCC(C)(C)CO2)cs1 ZINC000878419486 1125151935 /nfs/dbraw/zinc/15/19/35/1125151935.db2.gz WWHLUBUJPPAOPQ-NEPJUHHUSA-N 0 1 282.453 3.561 20 0 CHADMN C[C@H]1C[C@@H](N(C)Cc2c(Cl)cccc2Cl)CCO1 ZINC001168133000 1125177276 /nfs/dbraw/zinc/17/72/76/1125177276.db2.gz USGYHBSWWUNKSY-QWRGUYRKSA-N 0 1 288.218 3.993 20 0 CHADMN CCCc1ccc(CN2CCO[C@@H](C(C)C)C2)s1 ZINC001138527847 1131516341 /nfs/dbraw/zinc/51/63/41/1131516341.db2.gz LIMKZQVUULXJDO-OAHLLOKOSA-N 0 1 267.438 3.557 20 0 CHADMN COc1c(F)cc(CN2C[C@H](C)C[C@@H](C)C2)cc1Cl ZINC001143848001 1131538803 /nfs/dbraw/zinc/53/88/03/1131538803.db2.gz JAFSQLCTTWJZNC-GHMZBOCLSA-N 0 1 285.790 3.966 20 0 CHADMN CCCN(Cc1c(F)ccc(OC)c1F)CC1CC1 ZINC001143969908 1131561086 /nfs/dbraw/zinc/56/10/86/1131561086.db2.gz FAYLIFPSXWVQRK-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN CCOc1ccc(F)c(CN(C)C2CCCC2)c1F ZINC001143937552 1131556501 /nfs/dbraw/zinc/55/65/01/1131556501.db2.gz QXSLTWKSILZFBS-UHFFFAOYSA-N 0 1 269.335 3.738 20 0 CHADMN COCc1ccc(C[N@@H+](C)Cc2ccsc2)s1 ZINC001139828333 1131640226 /nfs/dbraw/zinc/64/02/26/1131640226.db2.gz LBWHLTUUQIBKMD-UHFFFAOYSA-N 0 1 267.419 3.588 20 0 CHADMN COCc1ccc(CN(C)Cc2ccsc2)s1 ZINC001139828333 1131640227 /nfs/dbraw/zinc/64/02/27/1131640227.db2.gz LBWHLTUUQIBKMD-UHFFFAOYSA-N 0 1 267.419 3.588 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1CN1CCCO[C@@H](C)C1 ZINC001139884119 1131646186 /nfs/dbraw/zinc/64/61/86/1131646186.db2.gz WEPAQFKSMOOONG-LBPRGKRZSA-N 0 1 287.325 3.625 20 0 CHADMN CC[C@@H]1CCN(Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001140366593 1131707300 /nfs/dbraw/zinc/70/73/00/1131707300.db2.gz JAVDLTGJWLHVKC-LLVKDONJSA-N 0 1 299.871 3.629 20 0 CHADMN Cc1cccc(OCCCN[C@@H](C)c2nccs2)c1 ZINC000772949514 1131720109 /nfs/dbraw/zinc/72/01/09/1131720109.db2.gz CAKWQXOYJWDEPF-ZDUSSCGKSA-N 0 1 276.405 3.571 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Cl)ncc2F)C[C@H]1C ZINC001140605913 1131825630 /nfs/dbraw/zinc/82/56/30/1131825630.db2.gz PIFBNRCXEADDAF-GHMZBOCLSA-N 0 1 270.779 3.742 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@@H](C)c1ccoc1)CCC2 ZINC000773065290 1131932084 /nfs/dbraw/zinc/93/20/84/1131932084.db2.gz OOEUMMCEKIREBG-JOYOIKCWSA-N 0 1 262.378 3.773 20 0 CHADMN CCCN(Cc1c(F)cc(OC)cc1F)CC(C)C ZINC001140830302 1131940688 /nfs/dbraw/zinc/94/06/88/1131940688.db2.gz UQTJAXSPNQKZPT-UHFFFAOYSA-N 0 1 271.351 3.841 20 0 CHADMN COc1cccc([C@@H](C)N[C@H](C)c2ccns2)c1 ZINC000715963444 1132000899 /nfs/dbraw/zinc/00/08/99/1132000899.db2.gz BEMKHXNGVRWMNA-GHMZBOCLSA-N 0 1 262.378 3.564 20 0 CHADMN CC(C)C(Oc1ccc(F)cc1CN(C)C)C(C)C ZINC001229854292 1132125132 /nfs/dbraw/zinc/12/51/32/1132125132.db2.gz KYUBAXHEAJLNMA-UHFFFAOYSA-N 0 1 267.388 3.947 20 0 CHADMN CN(C)Cc1cc(F)ccc1O[C@H]1CCCC[C@H]1F ZINC001229858270 1132125745 /nfs/dbraw/zinc/12/57/45/1132125745.db2.gz KJTJYMWFXRWLMI-HIFRSBDPSA-N 0 1 269.335 3.547 20 0 CHADMN CC[C@H](N[C@@H]1COC(C)(C)C1)c1c(F)cccc1F ZINC001172281833 1132162695 /nfs/dbraw/zinc/16/26/95/1132162695.db2.gz MSKMYGOPJRZBSC-GWCFXTLKSA-N 0 1 269.335 3.573 20 0 CHADMN C[C@@]1(F)CCCN(Cc2ncccc2C(F)(F)F)CC1 ZINC001231961589 1132403497 /nfs/dbraw/zinc/40/34/97/1132403497.db2.gz JYQXWJIVMIIXPP-CYBMUJFWSA-N 0 1 290.304 3.815 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1ccnc(C(F)(F)F)c1 ZINC001232241126 1132442040 /nfs/dbraw/zinc/44/20/40/1132442040.db2.gz GPPXRRTVFDNKOM-WDEREUQCSA-N 0 1 272.314 3.721 20 0 CHADMN Cc1c(CN2C3CCCC2CCC3)ccnc1Cl ZINC001232754803 1132515643 /nfs/dbraw/zinc/51/56/43/1132515643.db2.gz JYAJGXPDXZPUFJ-UHFFFAOYSA-N 0 1 264.800 3.950 20 0 CHADMN Brc1coc(CN2CCC[C@H]3CCC[C@@H]32)c1 ZINC001232857661 1132531086 /nfs/dbraw/zinc/53/10/86/1132531086.db2.gz USNNJKQEFDNQOJ-MFKMUULPSA-N 0 1 284.197 3.807 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1cc(O)cc(Br)c1 ZINC001232997848 1132561002 /nfs/dbraw/zinc/56/10/02/1132561002.db2.gz YZCQYQCYGHGLCX-GHMZBOCLSA-N 0 1 298.224 3.918 20 0 CHADMN C[C@@H]1CCN(Cc2cc(O)cc(Br)c2)[C@H](C)C1 ZINC001232998018 1132560076 /nfs/dbraw/zinc/56/00/76/1132560076.db2.gz CYFHAWGHYJCKIO-GHMZBOCLSA-N 0 1 298.224 3.775 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CCCCC[C@@H]1C ZINC001233170795 1132575839 /nfs/dbraw/zinc/57/58/39/1132575839.db2.gz PXYXRFQAUXLFQZ-LBPRGKRZSA-N 0 1 282.815 3.898 20 0 CHADMN CC[N@@H+](Cc1ccccc1)Cc1ccc([S-])cc1 ZINC001233258778 1132591677 /nfs/dbraw/zinc/59/16/77/1132591677.db2.gz SWYQOHSCMSVAMB-UHFFFAOYSA-N 0 1 257.402 3.997 20 0 CHADMN COc1cc(F)c(CN2CCC[C@@H](C)CC2)cc1F ZINC001233341353 1132606682 /nfs/dbraw/zinc/60/66/82/1132606682.db2.gz MJDPQVKVYXWKNM-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN Cc1nc2c(nc(Cl)nc2NC(C)(C)CC(C)(C)C)[nH]1 ZINC001158188066 1132766405 /nfs/dbraw/zinc/76/64/05/1132766405.db2.gz YOUMVGWNANKMIM-UHFFFAOYSA-N 0 1 295.818 3.941 20 0 CHADMN C[C@@]1(CF)CCN(Cc2ccccc2C(F)(F)F)C1 ZINC001203686763 1133353720 /nfs/dbraw/zinc/35/37/20/1133353720.db2.gz IRQUJNQLKYCPRV-ZDUSSCGKSA-N 0 1 275.289 3.887 20 0 CHADMN COCC[C@H]1CCCCN1Cc1c(F)cccc1Cl ZINC001203405659 1133323138 /nfs/dbraw/zinc/32/31/38/1133323138.db2.gz QMQBPWIFLHQUEI-GFCCVEGCSA-N 0 1 285.790 3.870 20 0 CHADMN Clc1ccc(CN2CC[C@H]3OCC[C@H]3C2)cc1Cl ZINC001203802744 1133371824 /nfs/dbraw/zinc/37/18/24/1133371824.db2.gz VOJUOOXSUUERKX-SMDDNHRTSA-N 0 1 286.202 3.604 20 0 CHADMN Cc1nn(C)c(CN2CCC[C@@H](C(C)C)CC2)c1Cl ZINC001204299306 1133432966 /nfs/dbraw/zinc/43/29/66/1133432966.db2.gz UXCZQHZUYJCMSA-CYBMUJFWSA-N 0 1 283.847 3.640 20 0 CHADMN C[C@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1C ZINC001204767397 1133483430 /nfs/dbraw/zinc/48/34/30/1133483430.db2.gz BVUGLMSMVVDDDG-UWVGGRQHSA-N 0 1 275.289 3.932 20 0 CHADMN CN(Cc1ncccc1F)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001206122334 1133660200 /nfs/dbraw/zinc/66/02/00/1133660200.db2.gz RPDJLHFTKVWRQP-PHIMTYICSA-N 0 1 290.304 3.774 20 0 CHADMN Cn1ncc(Cl)c1CN1CCC(C)(C)CC(C)(C)C1 ZINC001206621434 1133728850 /nfs/dbraw/zinc/72/88/50/1133728850.db2.gz YWGAWEKENITUCR-UHFFFAOYSA-N 0 1 283.847 3.722 20 0 CHADMN CC/C=C\CCCCCCN1CC[C@@](C)(O)[C@@H](F)C1 ZINC001209285191 1134001581 /nfs/dbraw/zinc/00/15/81/1134001581.db2.gz CAQGLIMGRKULRJ-XETQRACLSA-N 0 1 271.420 3.698 20 0 CHADMN Cn1ncc(Cl)c1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210926307 1134328767 /nfs/dbraw/zinc/32/87/67/1134328767.db2.gz IILXUCXDPVFMFJ-UHFFFAOYSA-N 0 1 292.553 3.830 20 0 CHADMN Cc1ccc(CN(Cc2ccccn2)C2CC2)cc1C ZINC000133110207 1125509013 /nfs/dbraw/zinc/50/90/13/1125509013.db2.gz HLCSRXWOHRQBQF-UHFFFAOYSA-N 0 1 266.388 3.863 20 0 CHADMN Cc1cc(CN(Cc2cccs2)C(C)C)sn1 ZINC000637915007 1129237079 /nfs/dbraw/zinc/23/70/79/1129237079.db2.gz RHILEWOVQCASEI-UHFFFAOYSA-N 0 1 266.435 3.924 20 0 CHADMN COc1ccccc1CN(C)C/C=C\c1ccccc1 ZINC000536623596 1125509732 /nfs/dbraw/zinc/50/97/32/1125509732.db2.gz QISCXNFNBFPRFC-FLIBITNWSA-N 0 1 267.372 3.840 20 0 CHADMN CCCn1nc(C)c(CN2CCC[C@@H]2c2ccccn2)c1C ZINC000536629448 1125510652 /nfs/dbraw/zinc/51/06/52/1125510652.db2.gz LXCVQXUFTRAUKD-GOSISDBHSA-N 0 1 298.434 3.642 20 0 CHADMN CC1CCC(N(Cc2nccs2)C[C@H]2CCCO2)CC1 ZINC000135101508 1125521227 /nfs/dbraw/zinc/52/12/27/1125521227.db2.gz NFQHDBAEIJORAM-YMAMQOFZSA-N 0 1 294.464 3.703 20 0 CHADMN CCn1nccc1CNC1(c2ccc(Cl)cc2)CCC1 ZINC000118985779 1125527217 /nfs/dbraw/zinc/52/72/17/1125527217.db2.gz YVIBDHVEVSFSMT-UHFFFAOYSA-N 0 1 289.810 3.725 20 0 CHADMN Cl/C=C/CN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000135122528 1125522087 /nfs/dbraw/zinc/52/20/87/1125522087.db2.gz BVIMBOCVEHBRHQ-GXWOQWCDSA-N 0 1 276.767 3.760 20 0 CHADMN CC1(C)CCCN(Cc2ccc(Br)cn2)CC1 ZINC000135021270 1125522620 /nfs/dbraw/zinc/52/26/20/1125522620.db2.gz QGPJMQLTXJMSQT-UHFFFAOYSA-N 0 1 297.240 3.856 20 0 CHADMN c1c[nH]c(CN2CCC[C@@H](CCCc3ccccc3)C2)n1 ZINC000135551569 1125526993 /nfs/dbraw/zinc/52/69/93/1125526993.db2.gz XQPFCMAINVIQSF-QGZVFWFLSA-N 0 1 283.419 3.645 20 0 CHADMN CCS[C@H](C)c1noc(CN(C)[C@@H]2CCCC[C@@H]2C)n1 ZINC000136434929 1125530506 /nfs/dbraw/zinc/53/05/06/1125530506.db2.gz PIIQIMJGBRBQAR-YNEHKIRRSA-N 0 1 297.468 3.894 20 0 CHADMN C[C@H](NCc1cccn1C)c1ccc(F)cc1Cl ZINC000119327942 1125531886 /nfs/dbraw/zinc/53/18/86/1125531886.db2.gz XAAHKWBHNRFFGW-JTQLQIEISA-N 0 1 266.747 3.668 20 0 CHADMN COc1ccc(CNCc2cccc(Cl)c2OC)cc1 ZINC000897483333 1125537273 /nfs/dbraw/zinc/53/72/73/1125537273.db2.gz PFVIJZBHXHAAGK-UHFFFAOYSA-N 0 1 291.778 3.647 20 0 CHADMN CC[C@H](C)C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000120215117 1125542563 /nfs/dbraw/zinc/54/25/63/1125542563.db2.gz LMHJDBVOCUOFMT-UONOGXRCSA-N 0 1 299.418 3.623 20 0 CHADMN C[C@H](c1ccncc1)N(C)Cc1ccc(F)c(F)c1 ZINC000195133354 1125560771 /nfs/dbraw/zinc/56/07/71/1125560771.db2.gz JWYHFCJMKWYNLR-LLVKDONJSA-N 0 1 262.303 3.553 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc3c[nH]nc3c2)c(C)o1 ZINC000237445163 1125564967 /nfs/dbraw/zinc/56/49/67/1125564967.db2.gz IEQJPNBLDJYVDH-LLVKDONJSA-N 0 1 269.348 3.624 20 0 CHADMN CC(C)N(C)c1ccccc1CN[C@H](C)c1ccoc1 ZINC000527100413 1125567460 /nfs/dbraw/zinc/56/74/60/1125567460.db2.gz FQSCHBANPWCUHK-CQSZACIVSA-N 0 1 272.392 3.975 20 0 CHADMN C[C@H]1CCN(Cc2cccnc2)[C@H]1c1cccc(F)c1 ZINC000245466392 1125573058 /nfs/dbraw/zinc/57/30/58/1125573058.db2.gz JFAUZNJUSGNZJU-SUMWQHHRSA-N 0 1 270.351 3.804 20 0 CHADMN COC(=O)[C@@H](CC(C)C)N1CCC[C@H]1c1ccc(C)s1 ZINC000509670361 1125574157 /nfs/dbraw/zinc/57/41/57/1125574157.db2.gz ZTQRLCIIRHMPMX-UONOGXRCSA-N 0 1 295.448 3.781 20 0 CHADMN COc1ncc(CN2CCC3(C2)CCCCC3)cc1Cl ZINC000532779565 1125580084 /nfs/dbraw/zinc/58/00/84/1125580084.db2.gz VUPNOEHHSOVYBU-UHFFFAOYSA-N 0 1 294.826 3.900 20 0 CHADMN CCc1nc2cc(NCc3ccc4nc[nH]c4c3)ccc2o1 ZINC000532890351 1125587570 /nfs/dbraw/zinc/58/75/70/1125587570.db2.gz WAOOCPUEKHTFKA-UHFFFAOYSA-N 0 1 292.342 3.879 20 0 CHADMN CCn1cc(CN2C[C@@H](C)C[C@H]2c2cccc(F)c2)cn1 ZINC000245789668 1125595212 /nfs/dbraw/zinc/59/52/12/1125595212.db2.gz VXRGVVYWMOKURK-GUYCJALGSA-N 0 1 287.382 3.625 20 0 CHADMN CC(C)c1nc(CN2CC[C@H](C)[C@H](C)C2)cs1 ZINC000245873604 1125596361 /nfs/dbraw/zinc/59/63/61/1125596361.db2.gz HFTWXRAQMFDVAS-NWDGAFQWSA-N 0 1 252.427 3.744 20 0 CHADMN CC(C)[C@H](N)c1noc([C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000216523149 1125598316 /nfs/dbraw/zinc/59/83/16/1125598316.db2.gz VQHAFKHDVFDRLZ-GUBZILKMSA-N 0 1 291.317 3.562 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2CC[C@H](C)[C@@H](C)C2)c(C)c1 ZINC000245920263 1125599030 /nfs/dbraw/zinc/59/90/30/1125599030.db2.gz NSAFJCCOXZYDAB-BBRMVZONSA-N 0 1 288.435 3.528 20 0 CHADMN Fc1ccc(CN(Cc2cc[nH]n2)C2CCCCC2)cc1 ZINC000533400027 1125604836 /nfs/dbraw/zinc/60/48/36/1125604836.db2.gz CBWOLLFTDCMITK-UHFFFAOYSA-N 0 1 287.382 3.884 20 0 CHADMN CC(C)(C(=O)Nc1ccc(C(F)F)cc1)N1CCCCC1 ZINC000885583964 1125613171 /nfs/dbraw/zinc/61/31/71/1125613171.db2.gz GKKMWMHEDCZOBG-UHFFFAOYSA-N 0 1 296.361 3.827 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H](C)c1ccnn1CC1CCC1 ZINC000925292264 1125616317 /nfs/dbraw/zinc/61/63/17/1125616317.db2.gz GLFPWNNIMUVXIQ-HUUCEWRRSA-N 0 1 298.434 3.798 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)[N@@H+](C)CC1CCCCC1 ZINC000067962713 1125626051 /nfs/dbraw/zinc/62/60/51/1125626051.db2.gz XKVDTJVNSSCTCJ-NSHDSACASA-N 0 1 263.385 3.520 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N(C)CC1CCCCC1 ZINC000067962713 1125626053 /nfs/dbraw/zinc/62/60/53/1125626053.db2.gz XKVDTJVNSSCTCJ-NSHDSACASA-N 0 1 263.385 3.520 20 0 CHADMN Cc1noc(C)c1C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000067712308 1125626452 /nfs/dbraw/zinc/62/64/52/1125626452.db2.gz BUMOYHHXDKFTDQ-SFHVURJKSA-N 0 1 282.387 3.943 20 0 CHADMN Cc1noc(C)c1CN(C1CC1)[C@H]1CCc2ccccc21 ZINC000067712308 1125626454 /nfs/dbraw/zinc/62/64/54/1125626454.db2.gz BUMOYHHXDKFTDQ-SFHVURJKSA-N 0 1 282.387 3.943 20 0 CHADMN Cc1coc(CNCc2cccc(OCC(F)(F)F)c2)c1 ZINC000885923006 1125626863 /nfs/dbraw/zinc/62/68/63/1125626863.db2.gz NENPEHKVEDXAJH-UHFFFAOYSA-N 0 1 299.292 3.819 20 0 CHADMN CC[C@H](C)N(C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000068450512 1125627811 /nfs/dbraw/zinc/62/78/11/1125627811.db2.gz IISQWVHYOATZQR-JTQLQIEISA-N 0 1 279.771 3.620 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NC/C=C/c1cccc(F)c1 ZINC000885985346 1125633054 /nfs/dbraw/zinc/63/30/54/1125633054.db2.gz FLPPOHMBAONOSW-OKPNEXGHSA-N 0 1 274.339 3.795 20 0 CHADMN Cc1[nH]nc(CNc2ccc(F)cc2OCC2CC2)c1C ZINC000885996962 1125633816 /nfs/dbraw/zinc/63/38/16/1125633816.db2.gz OIXYFAYINSHGQS-UHFFFAOYSA-N 0 1 289.354 3.567 20 0 CHADMN COC(=O)c1ccoc1C[N@@H+](CC1CCCCC1)C1CC1 ZINC000071954882 1125633990 /nfs/dbraw/zinc/63/39/90/1125633990.db2.gz GHRBVBPVMKYELD-UHFFFAOYSA-N 0 1 291.391 3.611 20 0 CHADMN COC(=O)c1ccoc1CN(CC1CCCCC1)C1CC1 ZINC000071954882 1125633995 /nfs/dbraw/zinc/63/39/95/1125633995.db2.gz GHRBVBPVMKYELD-UHFFFAOYSA-N 0 1 291.391 3.611 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1Cc1nc(C(C)C)no1 ZINC000072776205 1125636861 /nfs/dbraw/zinc/63/68/61/1125636861.db2.gz VWWYNDHVROPVII-CHWSQXEVSA-N 0 1 265.401 3.594 20 0 CHADMN Cc1[nH]nc(CNc2ccc3c(c2)OC2(CCCC2)O3)c1C ZINC000886025161 1125638054 /nfs/dbraw/zinc/63/80/54/1125638054.db2.gz DEKLFOFRDSEGNB-UHFFFAOYSA-N 0 1 299.374 3.680 20 0 CHADMN FC(F)(F)SCCN1CCC(C(F)(F)F)CC1 ZINC000886026244 1125638111 /nfs/dbraw/zinc/63/81/11/1125638111.db2.gz RNESNBKMMHCACK-UHFFFAOYSA-N 0 1 281.265 3.514 20 0 CHADMN CN(CCOC1CCCCC1)Cc1ccc(Cl)nc1 ZINC000886032535 1125639523 /nfs/dbraw/zinc/63/95/23/1125639523.db2.gz ILFZSLCRZPZVFD-UHFFFAOYSA-N 0 1 282.815 3.516 20 0 CHADMN C[C@@H]1c2ccccc2CN1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886031025 1125639537 /nfs/dbraw/zinc/63/95/37/1125639537.db2.gz ZWPYSJSLDJVXJS-PVUWLOKVSA-N 0 1 257.377 3.521 20 0 CHADMN Cc1coc(-c2cccc(NCc3n[nH]c(C)c3C)c2)n1 ZINC000886039338 1125639587 /nfs/dbraw/zinc/63/95/87/1125639587.db2.gz KCVJGVFKXIBFFK-UHFFFAOYSA-N 0 1 282.347 3.602 20 0 CHADMN Cc1coc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000886046681 1125640939 /nfs/dbraw/zinc/64/09/39/1125640939.db2.gz LXUKCIMGRKZXGR-MAUKXSAKSA-N 0 1 285.387 3.846 20 0 CHADMN Cc1csc(C(C)(C)NC[C@H]2CCC3(CCC3)CO2)n1 ZINC000886068250 1125643262 /nfs/dbraw/zinc/64/32/62/1125643262.db2.gz TVWLGXFGBODXKY-CYBMUJFWSA-N 0 1 294.464 3.626 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)o1 ZINC000246565745 1125645660 /nfs/dbraw/zinc/64/56/60/1125645660.db2.gz DQPSLPQZHDZUSQ-HEHGZKQESA-N 0 1 285.391 3.565 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccco1 ZINC000246894758 1125650302 /nfs/dbraw/zinc/65/03/02/1125650302.db2.gz FAOMYJXZNODVPP-XKQJLSEDSA-N 0 1 271.360 3.851 20 0 CHADMN Fc1cccc(Nc2ccncc2)c1OCc1ccccc1 ZINC001212018994 1125652233 /nfs/dbraw/zinc/65/22/33/1125652233.db2.gz IFWJVCFKZAFEDU-UHFFFAOYSA-N 0 1 294.329 3.965 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(C)co2)c(C)c1OC ZINC000886116804 1125652803 /nfs/dbraw/zinc/65/28/03/1125652803.db2.gz RHLPDXVICOGLRC-ZDUSSCGKSA-N 0 1 289.375 3.764 20 0 CHADMN Cc1cnc(CN2C[C@@H](c3ccc(F)cc3)C[C@H]2C)o1 ZINC000247254986 1125654586 /nfs/dbraw/zinc/65/45/86/1125654586.db2.gz FBGQTCYJZMJIOD-RISCZKNCSA-N 0 1 274.339 3.500 20 0 CHADMN C[C@@H]1C[C@H](c2cccc(F)c2)N(Cc2cccnc2)C1 ZINC000075842790 1125658230 /nfs/dbraw/zinc/65/82/30/1125658230.db2.gz YAFCWBPOVGRJOB-CXAGYDPISA-N 0 1 270.351 3.804 20 0 CHADMN CCS[C@@H]1CC[C@H](N(C)Cc2csc(CC)n2)C1 ZINC000247699258 1125659496 /nfs/dbraw/zinc/65/94/96/1125659496.db2.gz XIDZUMYEHMGIDH-QWHCGFSZSA-N 0 1 284.494 3.812 20 0 CHADMN Cc1ncc(CN2C[C@@H](C)[C@H]2c2ccccc2)s1 ZINC000248337997 1125664438 /nfs/dbraw/zinc/66/44/38/1125664438.db2.gz HPWPEFCWLCOLDQ-ABAIWWIYSA-N 0 1 258.390 3.645 20 0 CHADMN CCS[C@H]1CC[C@@H](N(C)Cc2cn3ccsc3n2)C1 ZINC000076069186 1125665566 /nfs/dbraw/zinc/66/55/66/1125665566.db2.gz UKCPJASUJJZFAN-OLZOCXBDSA-N 0 1 295.477 3.502 20 0 CHADMN CCS[C@@H]1CC[C@H](N(C)Cc2cn3ccsc3n2)C1 ZINC000076069177 1125665580 /nfs/dbraw/zinc/66/55/80/1125665580.db2.gz UKCPJASUJJZFAN-QWHCGFSZSA-N 0 1 295.477 3.502 20 0 CHADMN C[C@H]1c2ccccc2CN1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886296079 1125666913 /nfs/dbraw/zinc/66/69/13/1125666913.db2.gz ZWPYSJSLDJVXJS-MJEQTWJJSA-N 0 1 257.377 3.521 20 0 CHADMN CC(C)c1cnc(CNC[C@H]2CCC3(CCC3)CO2)s1 ZINC000886317952 1125668179 /nfs/dbraw/zinc/66/81/79/1125668179.db2.gz FVHQJHBEZCUYDK-CYBMUJFWSA-N 0 1 294.464 3.705 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2nccnc2C)s1 ZINC000219109612 1125670383 /nfs/dbraw/zinc/67/03/83/1125670383.db2.gz BLYIDZIFYXMNGG-JQWIXIFHSA-N 0 1 261.394 3.567 20 0 CHADMN CN(Cc1ccc(F)cc1)Cc1cc(Cl)ccc1N ZINC000093631781 1125672621 /nfs/dbraw/zinc/67/26/21/1125672621.db2.gz RGHDQJAKSUMHIJ-UHFFFAOYSA-N 0 1 278.758 3.693 20 0 CHADMN Cc1[nH]nc(CNc2ccc3nc(C)cc(C)c3c2)c1C ZINC000886369831 1125674013 /nfs/dbraw/zinc/67/40/13/1125674013.db2.gz QNSNTVKDNZYREN-UHFFFAOYSA-N 0 1 280.375 3.804 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2nc(C3CC3)no2)C1 ZINC000076386171 1125678886 /nfs/dbraw/zinc/67/88/86/1125678886.db2.gz WYHAJNUZJNBOTN-DZGCQCFKSA-N 0 1 297.402 3.633 20 0 CHADMN CC[C@H](CN(CC)[C@H](C)c1nnc(C)o1)c1ccccc1 ZINC000249477418 1125680264 /nfs/dbraw/zinc/68/02/64/1125680264.db2.gz VYCKSBSAIRISQO-UKRRQHHQSA-N 0 1 287.407 3.955 20 0 CHADMN CC(C)Oc1ccc(CN[C@H]2CCc3cccnc32)cc1 ZINC000886501604 1125681277 /nfs/dbraw/zinc/68/12/77/1125681277.db2.gz QUDQHRVVJXDUDS-KRWDZBQOSA-N 0 1 282.387 3.646 20 0 CHADMN CC(C)Oc1cccc(CN[C@@H]2CCc3cccnc32)c1 ZINC000886506218 1125681812 /nfs/dbraw/zinc/68/18/12/1125681812.db2.gz HJXGDPDZZKRGEJ-QGZVFWFLSA-N 0 1 282.387 3.646 20 0 CHADMN Clc1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2cccnc21 ZINC000886516630 1125682385 /nfs/dbraw/zinc/68/23/85/1125682385.db2.gz RCCCJIUEFKSNNC-HOTGVXAUSA-N 0 1 284.790 3.999 20 0 CHADMN c1ccc2c(c1)CSC[C@@H]2N[C@@H]1CCc2cccnc21 ZINC000886516543 1125682446 /nfs/dbraw/zinc/68/24/46/1125682446.db2.gz NBJUVFISDDSUJJ-CVEARBPZSA-N 0 1 282.412 3.647 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000629376858 1125689257 /nfs/dbraw/zinc/68/92/57/1125689257.db2.gz JYZSAAKASFKWAX-FZKCQIBNSA-N 0 1 281.440 3.778 20 0 CHADMN CCc1cnc(CN2CC[C@H](C)[C@@H]2c2ccccc2)o1 ZINC000886545098 1125689268 /nfs/dbraw/zinc/68/92/68/1125689268.db2.gz HBGPGNLVIJCEQM-SUMWQHHRSA-N 0 1 270.376 3.820 20 0 CHADMN CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cccc([O-])c1Cl ZINC000393280616 1125684097 /nfs/dbraw/zinc/68/40/97/1125684097.db2.gz XMYDLGRUTHOZOK-PWSUYJOCSA-N 0 1 253.773 3.809 20 0 CHADMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cccc([O-])c1Cl ZINC000393280616 1125684100 /nfs/dbraw/zinc/68/41/00/1125684100.db2.gz XMYDLGRUTHOZOK-PWSUYJOCSA-N 0 1 253.773 3.809 20 0 CHADMN CCCN(Cc1csc([C@H](C)OCC)n1)CC1CC1 ZINC000076730978 1125684266 /nfs/dbraw/zinc/68/42/66/1125684266.db2.gz ONWPDMDOLWAGIO-LBPRGKRZSA-N 0 1 282.453 3.863 20 0 CHADMN Cc1cccnc1[C@H](N[C@H]1CCc2cccnc21)C(C)C ZINC000886528544 1125684469 /nfs/dbraw/zinc/68/44/69/1125684469.db2.gz NVFVKPFMOLVOAH-JKSUJKDBSA-N 0 1 281.403 3.759 20 0 CHADMN CSC[C@H]1CCCN1Cc1cscc1Cl ZINC000611274703 1125685944 /nfs/dbraw/zinc/68/59/44/1125685944.db2.gz JWTLWTXUDQTCGZ-SNVBAGLBSA-N 0 1 261.843 3.729 20 0 CHADMN Cc1conc1CN1CC[C@H](C)[C@@H]1c1ccccc1 ZINC000886541198 1125687245 /nfs/dbraw/zinc/68/72/45/1125687245.db2.gz RRGUIWAYDMZMSW-BLLLJJGKSA-N 0 1 256.349 3.566 20 0 CHADMN C[C@@H]1CCN(Cc2cscn2)[C@H]1c1ccccc1 ZINC000886545025 1125688026 /nfs/dbraw/zinc/68/80/26/1125688026.db2.gz FSEKLAAORWTTBY-IUODEOHRSA-N 0 1 258.390 3.726 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000629375582 1125688446 /nfs/dbraw/zinc/68/84/46/1125688446.db2.gz JKZPXZONYRGSNE-YWVDXFKGSA-N 0 1 291.366 3.702 20 0 CHADMN CC(C)CCc1nc(CN2C[C@@H]3CSC[C@@H]3C2)cs1 ZINC000886558964 1125690132 /nfs/dbraw/zinc/69/01/32/1125690132.db2.gz WRFYRHASWIIFMP-BETUJISGSA-N 0 1 296.505 3.527 20 0 CHADMN CC(C)[C@@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1cnn(C)c1 ZINC000886617575 1125697751 /nfs/dbraw/zinc/69/77/51/1125697751.db2.gz SUWJKZUEDSIBRY-MZMPZRCHSA-N 0 1 299.418 3.619 20 0 CHADMN CCc1ccccc1CNCc1cnc(C(C)(C)C)nc1 ZINC000284309172 1125691525 /nfs/dbraw/zinc/69/15/25/1125691525.db2.gz JIAPBTLARUBPOX-UHFFFAOYSA-N 0 1 283.419 3.626 20 0 CHADMN c1ccc(C2(N[C@@H]3CCc4cccnc43)CCC2)cc1 ZINC000886568414 1125691778 /nfs/dbraw/zinc/69/17/78/1125691778.db2.gz JQFAHFLGEHZOJM-MRXNPFEDSA-N 0 1 264.372 3.738 20 0 CHADMN Cc1ncc([C@H](C)N2CCCC[C@@H]2c2ccco2)c(C)n1 ZINC000638073486 1129242948 /nfs/dbraw/zinc/24/29/48/1129242948.db2.gz DKMIKYXHPDWYAN-XJKSGUPXSA-N 0 1 285.391 3.975 20 0 CHADMN Cc1cc(CN[C@H]2CCc3cccnc32)ccc1Cl ZINC000886589819 1125693824 /nfs/dbraw/zinc/69/38/24/1125693824.db2.gz GTKQYCDOEGHELP-HNNXBMFYSA-N 0 1 272.779 3.821 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000252014911 1125701385 /nfs/dbraw/zinc/70/13/85/1125701385.db2.gz VBWVTRITNAINGO-JTQLQIEISA-N 0 1 291.782 3.620 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000252014911 1125701392 /nfs/dbraw/zinc/70/13/92/1125701392.db2.gz VBWVTRITNAINGO-JTQLQIEISA-N 0 1 291.782 3.620 20 0 CHADMN Clc1ccc2c(c1)[C@@H](N[C@H]1CCc3cccnc31)CC2 ZINC000886644930 1125702128 /nfs/dbraw/zinc/70/21/28/1125702128.db2.gz OLOGCBORWMIORM-HOTGVXAUSA-N 0 1 284.790 3.999 20 0 CHADMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000886694600 1125710938 /nfs/dbraw/zinc/71/09/38/1125710938.db2.gz ZEIPIVZZEDHUCS-LNWTYNMOSA-N 0 1 299.393 3.520 20 0 CHADMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000886694601 1125711016 /nfs/dbraw/zinc/71/10/16/1125711016.db2.gz ZEIPIVZZEDHUCS-YRXRADQDSA-N 0 1 299.393 3.520 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1cc(Cl)nc(Cl)c1 ZINC001212087416 1125727107 /nfs/dbraw/zinc/72/71/07/1125727107.db2.gz IQFBSXLLRNIGBO-UHFFFAOYSA-N 0 1 293.157 3.618 20 0 CHADMN CCCCC[C@@H](O)CNCc1c(F)ccc(Cl)c1F ZINC001253547040 1125732608 /nfs/dbraw/zinc/73/26/08/1125732608.db2.gz DAUBLFNGXRBHHL-SNVBAGLBSA-N 0 1 291.769 3.649 20 0 CHADMN COc1ccc(CN[C@@H](c2ccccc2)C2CCCC2)nn1 ZINC000282972614 1125735295 /nfs/dbraw/zinc/73/52/95/1125735295.db2.gz CWKIDGAYRPMVLT-SFHVURJKSA-N 0 1 297.402 3.506 20 0 CHADMN C[C@H](N[C@@H]1CCO[C@H]1C)c1nc(-c2ccccc2)cs1 ZINC000089553680 1125735725 /nfs/dbraw/zinc/73/57/25/1125735725.db2.gz PVKYHUSWHRWPKV-SGMGOOAPSA-N 0 1 288.416 3.638 20 0 CHADMN C[C@@H](NC[C@H](C)Oc1ccccc1Cl)c1nccs1 ZINC000090116814 1125739230 /nfs/dbraw/zinc/73/92/30/1125739230.db2.gz KBMACGZMBOOOKO-WDEREUQCSA-N 0 1 296.823 3.915 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)[C@H]3C[C@@H]3C3CC3)c2C1 ZINC000162192680 1125742314 /nfs/dbraw/zinc/74/23/14/1125742314.db2.gz NQJHFSUJDDSIJB-CVEARBPZSA-N 0 1 298.430 3.643 20 0 CHADMN C[C@@H](c1nc(C2(N)CCC2)no1)c1ccc2ccccc2c1 ZINC000261763444 1125743297 /nfs/dbraw/zinc/74/32/97/1125743297.db2.gz MPSODHWLOULENG-GFCCVEGCSA-N 0 1 293.370 3.713 20 0 CHADMN Cc1cc2cc(-c3nc(C4(N)CCCC4)no3)oc2cc1C ZINC000261844170 1125745521 /nfs/dbraw/zinc/74/55/21/1125745521.db2.gz SEONZPNABAZHTO-UHFFFAOYSA-N 0 1 297.358 3.828 20 0 CHADMN Cc1ccc(O[C@H](C)CN[C@@H](C)c2nccs2)cc1 ZINC000091729892 1125752076 /nfs/dbraw/zinc/75/20/76/1125752076.db2.gz QUNOKEZPAXISCO-OLZOCXBDSA-N 0 1 276.405 3.570 20 0 CHADMN C[C@@H](NCc1cccnc1OCC(F)F)c1ccsc1 ZINC000090942662 1125746527 /nfs/dbraw/zinc/74/65/27/1125746527.db2.gz VIWTYYLKCGQDBI-SNVBAGLBSA-N 0 1 298.358 3.638 20 0 CHADMN NC1(c2noc(-c3sccc3-c3ccccc3)n2)CCC1 ZINC000261906201 1125746603 /nfs/dbraw/zinc/74/66/03/1125746603.db2.gz ZBSGFFWUHBTLDW-UHFFFAOYSA-N 0 1 297.383 3.803 20 0 CHADMN Cc1cccc2c1[C@@H](C)C[C@H]2NCc1cccc(N(C)C)n1 ZINC000090852268 1125747134 /nfs/dbraw/zinc/74/71/34/1125747134.db2.gz DKHVUNWTRIFRSB-WMLDXEAASA-N 0 1 295.430 3.794 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1cccc(Cl)n1 ZINC000091439330 1125750508 /nfs/dbraw/zinc/75/05/08/1125750508.db2.gz PIYOCKUCWGBILR-SNVBAGLBSA-N 0 1 266.797 3.990 20 0 CHADMN CC[C@H](CN[C@@H](C)c1nccs1)Oc1ccccc1F ZINC000091733267 1125751217 /nfs/dbraw/zinc/75/12/17/1125751217.db2.gz MHNGQBXXMPYBPZ-NWDGAFQWSA-N 0 1 294.395 3.790 20 0 CHADMN Cc1ccccc1O[C@@H](C)CN[C@@H](C)c1nccs1 ZINC000091729851 1125751438 /nfs/dbraw/zinc/75/14/38/1125751438.db2.gz HRYGQMDNXUNVTR-STQMWFEESA-N 0 1 276.405 3.570 20 0 CHADMN C[C@@H](N[C@@H](C)CCOCc1ccccc1)c1cscn1 ZINC000286861497 1125753915 /nfs/dbraw/zinc/75/39/15/1125753915.db2.gz BBXVPOCXTXJWHB-UONOGXRCSA-N 0 1 290.432 3.789 20 0 CHADMN C[C@H](NC1(C2CC2)CCC1)c1nnc(-c2cccs2)o1 ZINC000887145108 1125754031 /nfs/dbraw/zinc/75/40/31/1125754031.db2.gz NVKZHDTXXJWTCR-JTQLQIEISA-N 0 1 289.404 3.781 20 0 CHADMN C[C@@H](c1ccccn1)N1Cc2ccccc2OC2(CCC2)C1 ZINC000887149542 1125755639 /nfs/dbraw/zinc/75/56/39/1125755639.db2.gz AIRBPLIZCCFSBE-HNNXBMFYSA-N 0 1 294.398 3.960 20 0 CHADMN Cc1cccnc1CN(Cc1ccccc1)C1CC1 ZINC000093158042 1125764987 /nfs/dbraw/zinc/76/49/87/1125764987.db2.gz YOTYNQSNQNGVBB-UHFFFAOYSA-N 0 1 252.361 3.555 20 0 CHADMN Cc1ccc(OCCCN[C@H](C)c2nccs2)cc1 ZINC000093403990 1125768104 /nfs/dbraw/zinc/76/81/04/1125768104.db2.gz XFQMNBUVNDGEDV-CYBMUJFWSA-N 0 1 276.405 3.571 20 0 CHADMN Cc1cccc(OC[C@H](C)N[C@H](C)c2nccs2)c1 ZINC000093400164 1125769676 /nfs/dbraw/zinc/76/96/76/1125769676.db2.gz DZKCMXKZLDFDAQ-QWHCGFSZSA-N 0 1 276.405 3.570 20 0 CHADMN Cc1cccc(NC2CCN(Cc3cncs3)CC2)c1 ZINC000093607713 1125771720 /nfs/dbraw/zinc/77/17/20/1125771720.db2.gz XBRJOLTYXQHRNX-UHFFFAOYSA-N 0 1 287.432 3.528 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2ccc(CO)o2)o1 ZINC000093870753 1125773961 /nfs/dbraw/zinc/77/39/61/1125773961.db2.gz DVZSCNVMQHRFRS-MLGOLLRUSA-N 0 1 289.375 3.647 20 0 CHADMN C[C@@H](c1ccco1)N(C)CCC(=O)c1ccc(F)cc1 ZINC000121947212 1125781492 /nfs/dbraw/zinc/78/14/92/1125781492.db2.gz FDAWGARPDZIENL-LBPRGKRZSA-N 0 1 275.323 3.685 20 0 CHADMN COCc1ccc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)o1 ZINC000122174094 1125783944 /nfs/dbraw/zinc/78/39/44/1125783944.db2.gz SMIRVWWWTMJFHL-GFCCVEGCSA-N 0 1 277.339 3.758 20 0 CHADMN COCc1ccc(CN(C)[C@H](C)c2ccc(F)cc2)o1 ZINC000122174094 1125783950 /nfs/dbraw/zinc/78/39/50/1125783950.db2.gz SMIRVWWWTMJFHL-GFCCVEGCSA-N 0 1 277.339 3.758 20 0 CHADMN CCCN(CC(F)F)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000122632575 1125787539 /nfs/dbraw/zinc/78/75/39/1125787539.db2.gz GQQQWWBGVQCASW-UHFFFAOYSA-N 0 1 299.365 3.575 20 0 CHADMN CCOc1cccc(CN(C)CC2CC2)c1Br ZINC001238692710 1131232564 /nfs/dbraw/zinc/23/25/64/1131232564.db2.gz KCGVSOMQPNESBS-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CCC(C)(C)C1 ZINC001238695028 1131233103 /nfs/dbraw/zinc/23/31/03/1131233103.db2.gz GLEDNILNHPUDLI-UHFFFAOYSA-N 0 1 265.372 3.845 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CCC(C)(F)CC1 ZINC001238696641 1131233206 /nfs/dbraw/zinc/23/32/06/1131233206.db2.gz YRVQKEDFAWFYAE-UHFFFAOYSA-N 0 1 283.362 3.937 20 0 CHADMN CN(CCc1cccc(Cl)c1)Cc1cccnc1F ZINC001138788163 1129251709 /nfs/dbraw/zinc/25/17/09/1129251709.db2.gz WCDGNGHQSVMOQD-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN COc1cccc(C)c1CNCc1ccc(F)c(F)c1 ZINC000638421908 1129257869 /nfs/dbraw/zinc/25/78/69/1129257869.db2.gz ZYLAGAPOZZKOQX-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN C[C@@H]([NH2+]Cc1cccs1)c1cc(Cl)ccc1[O-] ZINC000184872794 1129260260 /nfs/dbraw/zinc/26/02/60/1129260260.db2.gz GOFSDXQSBROCFH-SECBINFHSA-N 0 1 267.781 3.958 20 0 CHADMN Cc1scc(CN(C)[C@@H](C)c2cccnc2)c1C ZINC000639040120 1129278046 /nfs/dbraw/zinc/27/80/46/1129278046.db2.gz BHJVOSZCNOIOSS-LBPRGKRZSA-N 0 1 260.406 3.953 20 0 CHADMN Cc1cc(C)c(CN(C)Cc2ccsc2)c(C)n1 ZINC000639442256 1129315230 /nfs/dbraw/zinc/31/52/30/1129315230.db2.gz PAFSCSDWERPKBR-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN Cc1nc(CNC/C=C\c2ccccc2)sc1C ZINC000719530657 1129343805 /nfs/dbraw/zinc/34/38/05/1129343805.db2.gz NTTIFHKJUVSFJD-TWGQIWQCSA-N 0 1 258.390 3.563 20 0 CHADMN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C/C=C/Cl)C1 ZINC000743854674 1129540400 /nfs/dbraw/zinc/54/04/00/1129540400.db2.gz HQXRBWMPFITNTJ-RPIHDNISSA-N 0 1 253.748 3.961 20 0 CHADMN COCC[C@H]1CCCCN1Cc1cc(Cl)ccc1F ZINC001206020332 1129754521 /nfs/dbraw/zinc/75/45/21/1129754521.db2.gz OXUOAJBRRBFZAD-CQSZACIVSA-N 0 1 285.790 3.870 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3cccnc32)cs1 ZINC000381102283 1129833845 /nfs/dbraw/zinc/83/38/45/1129833845.db2.gz AQOTZHKWXIRMKZ-CQSZACIVSA-N 0 1 258.390 3.619 20 0 CHADMN CCc1nn(C)c(Cl)c1CN(C)CC1CCCCC1 ZINC000768238260 1129843419 /nfs/dbraw/zinc/84/34/19/1129843419.db2.gz YBNAHJSVNXDACM-UHFFFAOYSA-N 0 1 283.847 3.648 20 0 CHADMN CCOc1ccc(C)c(CN2CCc3c(O)cccc3C2)c1 ZINC001238706087 1131236213 /nfs/dbraw/zinc/23/62/13/1131236213.db2.gz UXKQOOKOWAHTCW-UHFFFAOYSA-N 0 1 297.398 3.658 20 0 CHADMN Cc1nc[nH]c1C(=O)Nc1ccc(Cl)cc1C(C)C ZINC000636260764 1129199422 /nfs/dbraw/zinc/19/94/22/1129199422.db2.gz VLUGACHXCMDTDG-UHFFFAOYSA-N 0 1 277.755 3.747 20 0 CHADMN Cc1c([C@H](C)N[C@@H](C)c2cncs2)cnn1C(C)C ZINC000903309632 1130150712 /nfs/dbraw/zinc/15/07/12/1130150712.db2.gz FVPUUHPREVXUEZ-QWRGUYRKSA-N 0 1 278.425 3.641 20 0 CHADMN CSc1ncc(C)cc1CN1CCC[C@H]1c1ccncc1 ZINC001238716843 1131237366 /nfs/dbraw/zinc/23/73/66/1131237366.db2.gz NENYUDLFXJTWKE-INIZCTEOSA-N 0 1 299.443 3.844 20 0 CHADMN COc1c(Br)cccc1CN1CCC[C@@H](C)C1 ZINC000481692094 1126705661 /nfs/dbraw/zinc/70/56/61/1126705661.db2.gz DQTZRAIHTKUCRQ-LLVKDONJSA-N 0 1 298.224 3.690 20 0 CHADMN c1coc([C@@H](N[C@@H]2CO[C@H](C3CC3)C2)c2ccccc2)c1 ZINC000667928022 1126707003 /nfs/dbraw/zinc/70/70/03/1126707003.db2.gz NCHNDLOEXMLALJ-SZMVWBNQSA-N 0 1 283.371 3.526 20 0 CHADMN C[C@@H](Cc1ccccc1)CN1CCn2cccc2[C@H]1C ZINC000481708032 1126707939 /nfs/dbraw/zinc/70/79/39/1126707939.db2.gz RDHRLGLYJYFTRB-JKSUJKDBSA-N 0 1 268.404 3.744 20 0 CHADMN C[C@@H](N[C@H](C)c1ccncc1F)c1ccc(F)cc1 ZINC000338008619 1126709020 /nfs/dbraw/zinc/70/90/20/1126709020.db2.gz QWHIJNAJONEONM-GHMZBOCLSA-N 0 1 262.303 3.772 20 0 CHADMN COC[C@H](CC(C)C)NCc1c(F)cccc1Cl ZINC000481721304 1126709164 /nfs/dbraw/zinc/70/91/64/1126709164.db2.gz VOULRUKIXBTDAE-NSHDSACASA-N 0 1 273.779 3.630 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccncc1F)c1cccs1 ZINC000338012506 1126709995 /nfs/dbraw/zinc/70/99/95/1126709995.db2.gz BDPILGUXNBUSID-VHSXEESVSA-N 0 1 250.342 3.694 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccncc1F)c1ccc2c(c1)COC2 ZINC000338014275 1126710604 /nfs/dbraw/zinc/71/06/04/1126710604.db2.gz SNVMKMHAGZWWSV-NEPJUHHUSA-N 0 1 286.350 3.663 20 0 CHADMN CN(CCC1CC1)Cc1nc2ccccc2n1C(F)F ZINC000135284363 1126716553 /nfs/dbraw/zinc/71/65/53/1126716553.db2.gz XBDSGCHJTLTRDZ-UHFFFAOYSA-N 0 1 279.334 3.663 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccccc1F ZINC000481754399 1126712918 /nfs/dbraw/zinc/71/29/18/1126712918.db2.gz WRRIACOHEMYHCD-ZYHUDNBSSA-N 0 1 275.289 3.989 20 0 CHADMN CCC[C@H](C)CC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000600531774 1126714539 /nfs/dbraw/zinc/71/45/39/1126714539.db2.gz ISMVFVNUBXOPHU-JTQLQIEISA-N 0 1 293.798 3.659 20 0 CHADMN C(=C\[C@H]1CCCN1Cc1cnc2n1CCC2)\c1ccccc1 ZINC000667960891 1126718288 /nfs/dbraw/zinc/71/82/88/1126718288.db2.gz ZAMUEBPHCBFRFB-QXPKXGMISA-N 0 1 293.414 3.507 20 0 CHADMN C[C@@H](NC[C@@H](O)c1ccsc1)c1ccc(F)cc1Cl ZINC000223914843 1126718771 /nfs/dbraw/zinc/71/87/71/1126718771.db2.gz QLWQQACRIOXRJA-YMTOWFKASA-N 0 1 299.798 3.925 20 0 CHADMN CSc1ncc(C)cc1CN1CCC[C@@H]1c1ccccn1 ZINC001238717379 1131237573 /nfs/dbraw/zinc/23/75/73/1131237573.db2.gz SAOZLBLPDXHOFB-MRXNPFEDSA-N 0 1 299.443 3.844 20 0 CHADMN CO[C@H](CN(C)Cc1ccco1)c1ccc(Cl)cc1 ZINC000338252114 1126727670 /nfs/dbraw/zinc/72/76/70/1126727670.db2.gz FSSHKWYAOMBDDD-OAHLLOKOSA-N 0 1 279.767 3.753 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc3ncsc3c2)nc1 ZINC000338281711 1126730058 /nfs/dbraw/zinc/73/00/58/1126730058.db2.gz PFRWVJKXGUADLY-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@@H](C(C)(C)C)C2)s1 ZINC000338342048 1126736399 /nfs/dbraw/zinc/73/63/99/1126736399.db2.gz FFJMXCYHAWOOLS-ZYHUDNBSSA-N 0 1 267.442 3.666 20 0 CHADMN COc1c(Br)cccc1CN1[C@@H](C)CC[C@@H]1C ZINC000482003424 1126738545 /nfs/dbraw/zinc/73/85/45/1126738545.db2.gz FDNOQDGYFIROAI-QWRGUYRKSA-N 0 1 298.224 3.831 20 0 CHADMN Cc1cccc(CN(CCCF)Cc2ccccn2)c1 ZINC000137566301 1126738850 /nfs/dbraw/zinc/73/88/50/1126738850.db2.gz LTDADIGJZHZFAI-UHFFFAOYSA-N 0 1 272.367 3.752 20 0 CHADMN Cc1cc(F)cc(-c2noc([C@@H]3CCCN3C(C)C)n2)c1 ZINC000923813895 1126744681 /nfs/dbraw/zinc/74/46/81/1126744681.db2.gz VXECIJFWTOPDCM-AWEZNQCLSA-N 0 1 289.354 3.729 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccc(-n3cccn3)cc2)o1 ZINC000150885747 1126746758 /nfs/dbraw/zinc/74/67/58/1126746758.db2.gz VHACCDZMZWEPGO-AWEZNQCLSA-N 0 1 295.386 3.879 20 0 CHADMN COc1cc(CN(C)[C@@H]2CCCc3ccccc32)sn1 ZINC000659817054 1126750289 /nfs/dbraw/zinc/75/02/89/1126750289.db2.gz GTICUYYWWVSBAK-OAHLLOKOSA-N 0 1 288.416 3.661 20 0 CHADMN COc1cc([C@@H](C)NCc2cccnc2)ccc1SC ZINC000151096502 1126750336 /nfs/dbraw/zinc/75/03/36/1126750336.db2.gz UZHKJXFERLIQCN-GFCCVEGCSA-N 0 1 288.416 3.663 20 0 CHADMN CC[C@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2csc(C)n2)CCO1 ZINC000482301788 1126750437 /nfs/dbraw/zinc/75/04/37/1126750437.db2.gz WVQDMVPWSTXHBC-IJEWVQPXSA-N 0 1 294.464 3.794 20 0 CHADMN O=C([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001142660033 1126753209 /nfs/dbraw/zinc/75/32/09/1126753209.db2.gz BLFANZRQANAVOI-NHYWBVRUSA-N 0 1 293.794 3.803 20 0 CHADMN CC[C@](C)(NCc1ccc(C)cc1)c1nccs1 ZINC000152613307 1126757823 /nfs/dbraw/zinc/75/78/23/1126757823.db2.gz CKESAIHCUZBLBS-HNNXBMFYSA-N 0 1 260.406 3.867 20 0 CHADMN CC(C)c1cccc2c1CCN(Cc1cnn3c1CCC3)C2 ZINC000668049169 1126757829 /nfs/dbraw/zinc/75/78/29/1126757829.db2.gz BVUISFNQGBNIJW-UHFFFAOYSA-N 0 1 295.430 3.511 20 0 CHADMN CC[C@]1(C)COCCN1Cc1cccc(-c2cccnc2)c1 ZINC000482499231 1126760929 /nfs/dbraw/zinc/76/09/29/1126760929.db2.gz MWXZYYGLHTVVMT-LJQANCHMSA-N 0 1 296.414 3.750 20 0 CHADMN CC[C@H](CC(F)F)CN1CCn2cccc2[C@@H]1C ZINC000659822246 1126764896 /nfs/dbraw/zinc/76/48/96/1126764896.db2.gz MBIUWYSBAPYZFY-NWDGAFQWSA-N 0 1 256.340 3.546 20 0 CHADMN Cc1ncsc1CNC(C)(C)c1cccc(F)c1 ZINC000174415121 1126769854 /nfs/dbraw/zinc/76/98/54/1126769854.db2.gz NOAQOCCSKHJOEC-UHFFFAOYSA-N 0 1 264.369 3.616 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2csc(-c3ccccn3)n2)C1 ZINC000174477009 1126770596 /nfs/dbraw/zinc/77/05/96/1126770596.db2.gz IUOVLESFNPVRGB-STQMWFEESA-N 0 1 287.432 3.826 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2csc(-c3ccccn3)n2)C1 ZINC000174477000 1126771076 /nfs/dbraw/zinc/77/10/76/1126771076.db2.gz IUOVLESFNPVRGB-OLZOCXBDSA-N 0 1 287.432 3.826 20 0 CHADMN FC(F)(F)c1cccc(C2(NCc3c[nH]cn3)CCC2)c1 ZINC000174586929 1126771796 /nfs/dbraw/zinc/77/17/96/1126771796.db2.gz JVJBHWYKATUPRT-UHFFFAOYSA-N 0 1 295.308 3.598 20 0 CHADMN C=Cn1cc(CN2CC=C(c3cccc(C)c3)CC2)cn1 ZINC000194602845 1126773063 /nfs/dbraw/zinc/77/30/63/1126773063.db2.gz QKQQFSUXYULLOU-UHFFFAOYSA-N 0 1 279.387 3.581 20 0 CHADMN CCCCc1noc(CN2CCC[C@@H](C(C)(C)C)C2)n1 ZINC000483255524 1126775707 /nfs/dbraw/zinc/77/57/07/1126775707.db2.gz KKXOSTZHQAIPRR-CYBMUJFWSA-N 0 1 279.428 3.670 20 0 CHADMN c1ccc(-c2nnc(CN(CC3CC3)C3CCC3)s2)cc1 ZINC000483306110 1126779326 /nfs/dbraw/zinc/77/93/26/1126779326.db2.gz IYGNDBBWNLYKMZ-UHFFFAOYSA-N 0 1 299.443 3.970 20 0 CHADMN CCC[C@@H](C)[N@@H+](C)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000483390703 1126785158 /nfs/dbraw/zinc/78/51/58/1126785158.db2.gz CQSXWWHEOHBIML-GFCCVEGCSA-N 0 1 291.370 3.805 20 0 CHADMN CCC[C@@H](C)N(C)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000483390703 1126785161 /nfs/dbraw/zinc/78/51/61/1126785161.db2.gz CQSXWWHEOHBIML-GFCCVEGCSA-N 0 1 291.370 3.805 20 0 CHADMN CC/C=C\CN[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903007166 1126790553 /nfs/dbraw/zinc/79/05/53/1126790553.db2.gz UYVNDNUQFCPXFX-UMCURTJPSA-N 0 1 258.287 3.717 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2nc3c(s2)CCCC3)C1 ZINC000678993253 1130480567 /nfs/dbraw/zinc/48/05/67/1130480567.db2.gz ZJBRFGVGIADHPS-VXGBXAGGSA-N 0 1 264.438 3.642 20 0 CHADMN CC(C)[C@H]1COCCN1[C@H](C)Cc1ccccc1Cl ZINC001170288896 1130480388 /nfs/dbraw/zinc/48/03/88/1130480388.db2.gz YSXFRCNBWLJEBU-CZUORRHYSA-N 0 1 281.827 3.628 20 0 CHADMN CC(C)C[C@@H]1CCCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000177392422 1126801054 /nfs/dbraw/zinc/80/10/54/1126801054.db2.gz VHQWPGVLPXCACU-ZDUSSCGKSA-N 0 1 289.379 3.588 20 0 CHADMN FC(F)(F)CCN(Cc1cccc(Cl)n1)CC1CC1 ZINC000177168455 1126797770 /nfs/dbraw/zinc/79/77/70/1126797770.db2.gz KSQSSESSMWHGOP-UHFFFAOYSA-N 0 1 292.732 3.899 20 0 CHADMN CCOc1cc(N[C@@H](C)c2cn[nH]c2C)ccc1C ZINC000679363134 1130522658 /nfs/dbraw/zinc/52/26/58/1130522658.db2.gz CMJNEQAMGHRDKA-NSHDSACASA-N 0 1 259.353 3.598 20 0 CHADMN COc1cccc([C@H](C)NCc2nc3ccc(C)cc3[nH]2)c1 ZINC000483852714 1126804285 /nfs/dbraw/zinc/80/42/85/1126804285.db2.gz MQTWQJRYRDMVCP-ZDUSSCGKSA-N 0 1 295.386 3.731 20 0 CHADMN COc1ccc([C@H](C)NCc2nc3cc(C)ccc3[nH]2)cc1 ZINC000483875385 1126805113 /nfs/dbraw/zinc/80/51/13/1126805113.db2.gz YVMYWGQQNBZRDC-ZDUSSCGKSA-N 0 1 295.386 3.731 20 0 CHADMN COc1ccc([C@H](C)NCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000483875385 1126805114 /nfs/dbraw/zinc/80/51/14/1126805114.db2.gz YVMYWGQQNBZRDC-ZDUSSCGKSA-N 0 1 295.386 3.731 20 0 CHADMN Cc1ccc2[nH]c(CN[C@@H]3CCc4c3cccc4C)nc2c1 ZINC000483874019 1126805155 /nfs/dbraw/zinc/80/51/55/1126805155.db2.gz TZCZMWBNVRORFD-MRXNPFEDSA-N 0 1 291.398 3.957 20 0 CHADMN Cc1ccc2nc(CN[C@@H]3CCc4c3cccc4C)[nH]c2c1 ZINC000483874019 1126805157 /nfs/dbraw/zinc/80/51/57/1126805157.db2.gz TZCZMWBNVRORFD-MRXNPFEDSA-N 0 1 291.398 3.957 20 0 CHADMN COc1ccc(Cl)c(CN2CCSC(C)(C)C2)c1 ZINC000483930632 1126806009 /nfs/dbraw/zinc/80/60/09/1126806009.db2.gz WTFJDLVGSOOKIZ-UHFFFAOYSA-N 0 1 285.840 3.676 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1Cc1csc(-c2ccco2)n1 ZINC000177899316 1126806685 /nfs/dbraw/zinc/80/66/85/1126806685.db2.gz FSLAAMSMHGGXNK-WDEREUQCSA-N 0 1 262.378 3.633 20 0 CHADMN C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccco1 ZINC000177939014 1126807775 /nfs/dbraw/zinc/80/77/75/1126807775.db2.gz HCMAKPYOYRQECK-KPZWWZAWSA-N 0 1 299.370 3.853 20 0 CHADMN Cc1c([C@@H](C)N[C@H]2CC(C)(C)Cc3occc32)cnn1C ZINC000177959573 1126807906 /nfs/dbraw/zinc/80/79/06/1126807906.db2.gz GLYHWTKWFAJZGB-ABAIWWIYSA-N 0 1 287.407 3.686 20 0 CHADMN Cc1c([C@H](C)N[C@@H](C)c2cc(F)c(F)c(F)c2)cnn1C ZINC000177960033 1126807972 /nfs/dbraw/zinc/80/79/72/1126807972.db2.gz DAOAWUMZLKICME-IUCAKERBSA-N 0 1 297.324 3.558 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnn(C)c1C)c1ccc(F)cc1F ZINC000177960894 1126808017 /nfs/dbraw/zinc/80/80/17/1126808017.db2.gz SFZDDJQKKPIILM-MGPLVRAMSA-N 0 1 293.361 3.809 20 0 CHADMN Cc1ccccc1[C@H](C)NCc1cn2c(cccc2C)n1 ZINC000178060322 1126808474 /nfs/dbraw/zinc/80/84/74/1126808474.db2.gz PVYBYNTYFVRJQV-HNNXBMFYSA-N 0 1 279.387 3.802 20 0 CHADMN Cc1ccc([C@H](C)NCc2cn3c(cccc3C)n2)cc1 ZINC000178062052 1126808607 /nfs/dbraw/zinc/80/86/07/1126808607.db2.gz DBQZMDZUIIXWFB-HNNXBMFYSA-N 0 1 279.387 3.802 20 0 CHADMN COCCC[C@H](C)N[C@H](c1nccs1)c1ccccc1 ZINC000178197540 1126809942 /nfs/dbraw/zinc/80/99/42/1126809942.db2.gz LBEVACPHVFSIGN-ZFWWWQNUSA-N 0 1 290.432 3.637 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NCc1oc2ccccc2c1C ZINC000178284034 1126811398 /nfs/dbraw/zinc/81/13/98/1126811398.db2.gz VFPYGNBAOLCMRF-GFCCVEGCSA-N 0 1 283.375 3.634 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@H](C)c1ccc(C)o1 ZINC000178301463 1126811520 /nfs/dbraw/zinc/81/15/20/1126811520.db2.gz WNQCRWMIEXPUJL-IUODEOHRSA-N 0 1 271.360 3.935 20 0 CHADMN CCN(CC)c1ccc(CN[C@H](C)c2ccsc2)cn1 ZINC000178415634 1126812822 /nfs/dbraw/zinc/81/28/22/1126812822.db2.gz XMASROMAZVFXFH-CYBMUJFWSA-N 0 1 289.448 3.840 20 0 CHADMN C[C@@H](NCc1ccc([C@H](C)O)cc1)c1cc(F)ccc1F ZINC000178544633 1126815558 /nfs/dbraw/zinc/81/55/58/1126815558.db2.gz ZGFWZKWJWDPLHF-NEPJUHHUSA-N 0 1 291.341 3.869 20 0 CHADMN CC1(C)SC[C@H]1NCc1cc(Cl)ccc1Cl ZINC000393870168 1130545447 /nfs/dbraw/zinc/54/54/47/1130545447.db2.gz XJQXQXFOLRUDMG-LLVKDONJSA-N 0 1 276.232 3.977 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CCC[C@H](OC(F)F)C1 ZINC000679684487 1130551433 /nfs/dbraw/zinc/55/14/33/1130551433.db2.gz TXAVRKDCWOYDHG-MFKMUULPSA-N 0 1 273.298 3.590 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(-c2ccc3[nH]ccc3c2)no1 ZINC000904085507 1126827773 /nfs/dbraw/zinc/82/77/73/1126827773.db2.gz JWDHHAUCUQTHDU-AWEZNQCLSA-N 0 1 284.363 3.525 20 0 CHADMN Cc1ncsc1CN(C)C/C=C/c1ccc(F)cc1 ZINC000179428488 1126828951 /nfs/dbraw/zinc/82/89/51/1126828951.db2.gz CFOGWWHYUWOFLP-ONEGZZNKSA-N 0 1 276.380 3.736 20 0 CHADMN Cc1ccc(CN(C)Cc2cn(C)nc2-c2ccccc2)o1 ZINC000179568662 1126829159 /nfs/dbraw/zinc/82/91/59/1126829159.db2.gz XNALTYOLXREHGS-UHFFFAOYSA-N 0 1 295.386 3.621 20 0 CHADMN COc1ccc(CN(Cc2cnn(C(C)C)c2)C2CC2)cc1 ZINC000179740599 1126833082 /nfs/dbraw/zinc/83/30/82/1126833082.db2.gz PHNWNJZFKCWNAZ-UHFFFAOYSA-N 0 1 299.418 3.637 20 0 CHADMN COc1ccc([C@@H]2CCCCCN2Cc2c[nH]cn2)cc1 ZINC000179774307 1126833960 /nfs/dbraw/zinc/83/39/60/1126833960.db2.gz OBGFENUJWLZPKW-KRWDZBQOSA-N 0 1 285.391 3.536 20 0 CHADMN CCN(Cc1cnn(C(C)C)c1)[C@H](C)c1cccc(O)c1 ZINC000179805651 1126835245 /nfs/dbraw/zinc/83/52/45/1126835245.db2.gz NLGRVCCALICKIV-CQSZACIVSA-N 0 1 287.407 3.753 20 0 CHADMN C[C@@H](NCc1ccc(OC(C)(C)C)nc1)c1ccncc1 ZINC000180008976 1126838271 /nfs/dbraw/zinc/83/82/71/1126838271.db2.gz RONSRVFXXXRKJF-CYBMUJFWSA-N 0 1 285.391 3.505 20 0 CHADMN CCN(Cc1ccccn1)Cc1cc(F)ccc1C ZINC000180139915 1126839688 /nfs/dbraw/zinc/83/96/88/1126839688.db2.gz RDXIWDACMACBDC-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN CC[C@H](NCc1ccc(OC)c(O)c1)c1ccccc1F ZINC000180389578 1126843827 /nfs/dbraw/zinc/84/38/27/1126843827.db2.gz IAGQQQFRLRBQON-HNNXBMFYSA-N 0 1 289.350 3.781 20 0 CHADMN COC[C@H](N[C@@H]1CCc2ccc(OC)cc21)c1ccccc1 ZINC000180840626 1126848995 /nfs/dbraw/zinc/84/89/95/1126848995.db2.gz UUPXCKYFILLCSB-MOPGFXCFSA-N 0 1 297.398 3.660 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2c(F)cccc21)c1ccncc1 ZINC000181322894 1126854767 /nfs/dbraw/zinc/85/47/67/1126854767.db2.gz NWZMKEDVVPFIEY-MLGOLLRUSA-N 0 1 286.350 3.785 20 0 CHADMN CC(C)Cc1noc(CN[C@@H](C)[C@@H](C)c2ccccc2)n1 ZINC000181523347 1126856667 /nfs/dbraw/zinc/85/66/67/1126856667.db2.gz CULFAEMNFIMIBN-KGLIPLIRSA-N 0 1 287.407 3.550 20 0 CHADMN CC[C@H](Cc1ccccc1)[N@@H+](CC)CCCCC(=O)[O-] ZINC000181571146 1126857233 /nfs/dbraw/zinc/85/72/33/1126857233.db2.gz VHDKRKRDYHEOEU-MRXNPFEDSA-N 0 1 277.408 3.585 20 0 CHADMN C[N@@H+](CCCCC(=O)[O-])Cc1csc2ccccc12 ZINC000181543375 1126857697 /nfs/dbraw/zinc/85/76/97/1126857697.db2.gz WKJNAWUIXLYJOW-UHFFFAOYSA-N 0 1 277.389 3.588 20 0 CHADMN Cc1ccccc1Cc1noc(-c2cc3cccnc3[nH]2)n1 ZINC000904646441 1126864215 /nfs/dbraw/zinc/86/42/15/1126864215.db2.gz SCDXCNHOYUIGBG-UHFFFAOYSA-N 0 1 290.326 3.512 20 0 CHADMN C[C@@H](c1ccccn1)N(C)CC1=Cc2ccccc2OC1 ZINC000182064578 1126864939 /nfs/dbraw/zinc/86/49/39/1126864939.db2.gz AHANAWKQCAIZRP-AWEZNQCLSA-N 0 1 280.371 3.550 20 0 CHADMN CCc1nc(C)c([C@H](C)NCc2ccc(Cl)cn2)s1 ZINC000182129490 1126866406 /nfs/dbraw/zinc/86/64/06/1126866406.db2.gz JCZSRCCQYFCPQT-VIFPVBQESA-N 0 1 295.839 3.913 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@H]1NCc1ccc(Cl)cn1 ZINC000182128773 1126866560 /nfs/dbraw/zinc/86/65/60/1126866560.db2.gz GVWQWSXRSSVKPI-BZNIZROVSA-N 0 1 272.779 3.758 20 0 CHADMN CCc1nc(C)c([C@@H](C)NCc2ccc(Cl)cn2)s1 ZINC000182129470 1126866608 /nfs/dbraw/zinc/86/66/08/1126866608.db2.gz JCZSRCCQYFCPQT-SECBINFHSA-N 0 1 295.839 3.913 20 0 CHADMN CC[C@@H](NCc1n[nH]c(C2CC2)n1)c1cccc(Cl)c1 ZINC000182736826 1126877047 /nfs/dbraw/zinc/87/70/47/1126877047.db2.gz SBNDKKOHXRYIEL-CYBMUJFWSA-N 0 1 290.798 3.576 20 0 CHADMN CC[C@@H](C)[C@H](C)NCc1noc(-c2ccccc2C)n1 ZINC000183028033 1126880541 /nfs/dbraw/zinc/88/05/41/1126880541.db2.gz LFQMCTXXTXIOLZ-YPMHNXCESA-N 0 1 273.380 3.569 20 0 CHADMN Cc1cc(N[C@@H]2CCCOCC2)c2cc(F)ccc2n1 ZINC000182985548 1126880972 /nfs/dbraw/zinc/88/09/72/1126880972.db2.gz NQHUBQZHQMDZRR-CYBMUJFWSA-N 0 1 274.339 3.663 20 0 CHADMN CCC[C@@H](C)C(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000485134413 1126887850 /nfs/dbraw/zinc/88/78/50/1126887850.db2.gz NQROZWOCPLMPMI-SNVBAGLBSA-N 0 1 298.346 3.593 20 0 CHADMN CCOc1cccc(CN(C)[C@H](C)c2cccnc2)c1 ZINC000183726527 1126890443 /nfs/dbraw/zinc/89/04/43/1126890443.db2.gz UIZPJKLLYQCEGQ-CQSZACIVSA-N 0 1 270.376 3.673 20 0 CHADMN CC1CC(N(C)Cc2nc(Cl)ccc2C(F)(F)F)C1 ZINC001235223444 1130724528 /nfs/dbraw/zinc/72/45/28/1130724528.db2.gz LQMDUXQLWOMPCL-UHFFFAOYSA-N 0 1 292.732 3.984 20 0 CHADMN CCOc1cccc([C@H](C)N[C@@H](C)c2nccnc2C)c1 ZINC000187893193 1126916535 /nfs/dbraw/zinc/91/65/35/1126916535.db2.gz ZEEMFCJFBQEYOO-JSGCOSHPSA-N 0 1 285.391 3.596 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H](c1ccccc1)C1CCC1 ZINC000187951759 1126917937 /nfs/dbraw/zinc/91/79/37/1126917937.db2.gz FVZKSTGWEXAYSK-KBXCAEBGSA-N 0 1 281.403 3.977 20 0 CHADMN Cc1csc(CN(C)CC2(c3ccccc3)CC2)n1 ZINC000189321814 1126930571 /nfs/dbraw/zinc/93/05/71/1126930571.db2.gz XSHPKTRKLCIOOZ-UHFFFAOYSA-N 0 1 272.417 3.615 20 0 CHADMN Cc1ccc(F)cc1CN1CCC[C@H]1c1ccncc1 ZINC000189286340 1126930603 /nfs/dbraw/zinc/93/06/03/1126930603.db2.gz BPPMELSBGAPTEZ-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN COc1cc(C)c(-c2cnc([C@@H]3CCCCN3)nc2)cc1C ZINC000906161645 1126937067 /nfs/dbraw/zinc/93/70/67/1126937067.db2.gz MNZYJIQPIYMOKT-INIZCTEOSA-N 0 1 297.402 3.584 20 0 CHADMN CCCc1ccccc1-c1cnc([C@H]2CCCCN2)nc1 ZINC000906182426 1126934999 /nfs/dbraw/zinc/93/49/99/1126934999.db2.gz MKCGVDWSWMJZNV-QGZVFWFLSA-N 0 1 281.403 3.911 20 0 CHADMN Cc1ccc(-c2cnc([C@@H]3CCCCN3)nc2)c(F)c1F ZINC000906183047 1126935247 /nfs/dbraw/zinc/93/52/47/1126935247.db2.gz WRJXBIJPMDDSCQ-ZDUSSCGKSA-N 0 1 289.329 3.545 20 0 CHADMN CCCn1nc(C)c(-c2ccc3n[nH]c(C)c3c2)c1C ZINC000906205695 1126937662 /nfs/dbraw/zinc/93/76/62/1126937662.db2.gz JOTOTZFCKOLNAW-UHFFFAOYSA-N 0 1 268.364 3.762 20 0 CHADMN Cn1ccc2cccc(-c3cccc([C@@H]4COCCN4)c3)c21 ZINC000906213978 1126939016 /nfs/dbraw/zinc/93/90/16/1126939016.db2.gz CGQUUGRNCZYVGB-SFHVURJKSA-N 0 1 292.382 3.506 20 0 CHADMN Cn1ccc2cccc(-c3ccc([C@H]4COCCN4)cc3)c21 ZINC000906213973 1126939308 /nfs/dbraw/zinc/93/93/08/1126939308.db2.gz CEDNMZCSYVRCGQ-GOSISDBHSA-N 0 1 292.382 3.506 20 0 CHADMN C[C@H](NCc1ccc(OCC2CC2)cc1)c1ccccn1 ZINC000190674632 1126944171 /nfs/dbraw/zinc/94/41/71/1126944171.db2.gz MPKNITWTVOFORP-AWEZNQCLSA-N 0 1 282.387 3.721 20 0 CHADMN CC[C@H](C)CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000190795150 1126944587 /nfs/dbraw/zinc/94/45/87/1126944587.db2.gz JRZKPBSYTINXHE-VIFPVBQESA-N 0 1 275.352 3.661 20 0 CHADMN CCC[C@H](NCc1c(C)noc1C)c1ccsc1 ZINC000191220082 1126949706 /nfs/dbraw/zinc/94/97/06/1126949706.db2.gz YSUYQLKAVJVCOD-AWEZNQCLSA-N 0 1 264.394 3.984 20 0 CHADMN CCc1noc([C@@H](C)N[C@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000191359341 1126951361 /nfs/dbraw/zinc/95/13/61/1126951361.db2.gz QZSYOSXGMCGYFX-BMFZPTHFSA-N 0 1 299.418 3.694 20 0 CHADMN Fc1c(Cl)cccc1CSc1nc(C2CC2)n[nH]1 ZINC000191818446 1126955143 /nfs/dbraw/zinc/95/51/43/1126955143.db2.gz VIGREUDCPOJKFH-UHFFFAOYSA-N 0 1 283.759 3.767 20 0 CHADMN Fc1c(Cl)cccc1CSc1n[nH]c(C2CC2)n1 ZINC000191818446 1126955145 /nfs/dbraw/zinc/95/51/45/1126955145.db2.gz VIGREUDCPOJKFH-UHFFFAOYSA-N 0 1 283.759 3.767 20 0 CHADMN Fc1cccc([C@H]2C[C@H]2N2CCC(c3ncco3)CC2)c1 ZINC000906591783 1126959043 /nfs/dbraw/zinc/95/90/43/1126959043.db2.gz XVNQVRJIEJBAEX-HZPDHXFCSA-N 0 1 286.350 3.549 20 0 CHADMN CC(C)=CCNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000192372556 1126961041 /nfs/dbraw/zinc/96/10/41/1126961041.db2.gz KMSOSOBCXJNPLW-UHFFFAOYSA-N 0 1 294.305 3.588 20 0 CHADMN CSc1ccc(-c2c(F)cc(F)c(O)c2F)cn1 ZINC001235998506 1130826254 /nfs/dbraw/zinc/82/62/54/1130826254.db2.gz OFMNAPGUOWMXFA-UHFFFAOYSA-N 0 1 271.263 3.593 20 0 CHADMN C=Cn1cc(CNCc2ccc(C)cc2O[C@@H](C)CC)cn1 ZINC000194362691 1126973542 /nfs/dbraw/zinc/97/35/42/1126973542.db2.gz VQKCOQSUOKHTFC-HNNXBMFYSA-N 0 1 299.418 3.759 20 0 CHADMN c1cc2n(c1)CCN(C[C@@H]1CCC=CO1)[C@@H]2c1ccccc1 ZINC000193715586 1126970006 /nfs/dbraw/zinc/97/00/06/1126970006.db2.gz YYIPXCXPUMXWFF-PKOBYXMFSA-N 0 1 294.398 3.586 20 0 CHADMN CCc1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000569293066 1126971151 /nfs/dbraw/zinc/97/11/51/1126971151.db2.gz NKADCWDHXVFCFE-IRXDYDNUSA-N 0 1 273.420 3.638 20 0 CHADMN CCc1nc[nH]c1C(=O)Nc1ccccc1SC(C)C ZINC000907002491 1126971245 /nfs/dbraw/zinc/97/12/45/1126971245.db2.gz XFCBOUSDFCLASY-UHFFFAOYSA-N 0 1 289.404 3.725 20 0 CHADMN Oc1ccc(CN(Cc2ccco2)C[C@H]2CCC=CO2)cc1 ZINC000193869711 1126971243 /nfs/dbraw/zinc/97/12/43/1126971243.db2.gz OJGGPNNCUWLNKC-QGZVFWFLSA-N 0 1 299.370 3.680 20 0 CHADMN C=Cn1cc(CN2CCCCC[C@H]2c2ccco2)cn1 ZINC000193967201 1126972063 /nfs/dbraw/zinc/97/20/63/1126972063.db2.gz QASFZNQMAWMUHQ-HNNXBMFYSA-N 0 1 271.364 3.694 20 0 CHADMN FCC[C@@H]1CCCN(Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000668591951 1126972515 /nfs/dbraw/zinc/97/25/15/1126972515.db2.gz FPLNZOWEKPFXFA-JSGCOSHPSA-N 0 1 298.427 3.566 20 0 CHADMN CCn1c2ccccc2nc1CN1CCC[C@H](CCF)C1 ZINC000668592322 1126972532 /nfs/dbraw/zinc/97/25/32/1126972532.db2.gz JYJVESIGIVWSMG-CQSZACIVSA-N 0 1 289.398 3.628 20 0 CHADMN Cc1cccc([C@@H](NC[C@@H]2CCC=CO2)c2ccccn2)c1 ZINC000194534898 1126976173 /nfs/dbraw/zinc/97/61/73/1126976173.db2.gz CVANDGKQKZZFDR-PKOBYXMFSA-N 0 1 294.398 3.762 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1cccnc1 ZINC000194830914 1126976548 /nfs/dbraw/zinc/97/65/48/1126976548.db2.gz PRJKWHZILHTJFH-GFCCVEGCSA-N 0 1 258.390 3.654 20 0 CHADMN Cc1cc([C@H](C)NCc2cnc(C)s2)cs1 ZINC000294101055 1129213095 /nfs/dbraw/zinc/21/30/95/1129213095.db2.gz BZLUECXHMNXWJK-VIFPVBQESA-N 0 1 252.408 3.672 20 0 CHADMN CCCC(C)(C)CC(=O)NC[C@H](c1cccs1)N(C)C ZINC000486378472 1126980449 /nfs/dbraw/zinc/98/04/49/1126980449.db2.gz LENZGZJVKFRQJO-CYBMUJFWSA-N 0 1 296.480 3.683 20 0 CHADMN Cc1nccc(NCc2cccc(OC(F)F)c2)c1Cl ZINC000486387925 1126980723 /nfs/dbraw/zinc/98/07/23/1126980723.db2.gz NBMAARGGLKEMNZ-UHFFFAOYSA-N 0 1 298.720 3.679 20 0 CHADMN c1csc([C@@H](NCC2CCC2)c2ccccc2)n1 ZINC000266754245 1126987304 /nfs/dbraw/zinc/98/73/04/1126987304.db2.gz RCIRUHZUFSLRLG-AWEZNQCLSA-N 0 1 258.390 3.622 20 0 CHADMN Cc1cc(C(=O)CN(C)C[C@H](C)c2ccccc2)c(C)[nH]1 ZINC000066853830 1126989738 /nfs/dbraw/zinc/98/97/38/1126989738.db2.gz KHRVLSYJLXTXRK-ZDUSSCGKSA-N 0 1 284.403 3.550 20 0 CHADMN C[C@@H]1CCN(Cc2cnc(C3CCCC3)s2)C[C@H](C)O1 ZINC000668626398 1126985329 /nfs/dbraw/zinc/98/53/29/1126985329.db2.gz XMTDGIFTMYVGSB-OLZOCXBDSA-N 0 1 294.464 3.800 20 0 CHADMN CC[C@H](NCc1ccn(C)c1)c1ccc(F)cc1F ZINC000267033957 1126992387 /nfs/dbraw/zinc/99/23/87/1126992387.db2.gz BMZVMSLWKIJNMF-HNNXBMFYSA-N 0 1 264.319 3.544 20 0 CHADMN COc1c(Cl)cc(Cl)cc1CNCc1ccn(C)c1 ZINC000267048017 1126992420 /nfs/dbraw/zinc/99/24/20/1126992420.db2.gz DRWNMRVCKLTZSK-UHFFFAOYSA-N 0 1 299.201 3.630 20 0 CHADMN Cc1ccc([C@@H](O)CN[C@@H](C)c2ccccc2Cl)o1 ZINC000267285518 1126996307 /nfs/dbraw/zinc/99/63/07/1126996307.db2.gz WGNFNEXDVWVKRR-FZMZJTMJSA-N 0 1 279.767 3.626 20 0 CHADMN Cc1ccc(C(C)(C)C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000486716846 1126997814 /nfs/dbraw/zinc/99/78/14/1126997814.db2.gz VQQXNJZSMGYIBT-UHFFFAOYSA-N 0 1 293.370 3.788 20 0 CHADMN CCCCc1noc(C[N@H+]2CCC[C@@H]2[C@H](C)CCC)n1 ZINC000486776730 1127001369 /nfs/dbraw/zinc/00/13/69/1127001369.db2.gz CVOZDLQZSDSJLT-ZIAGYGMSSA-N 0 1 279.428 3.813 20 0 CHADMN CCCCc1noc(CN2CCC[C@@H]2[C@H](C)CCC)n1 ZINC000486776730 1127001373 /nfs/dbraw/zinc/00/13/73/1127001373.db2.gz CVOZDLQZSDSJLT-ZIAGYGMSSA-N 0 1 279.428 3.813 20 0 CHADMN CCN(Cc1cncn1C)Cc1ccc2ccccc2c1 ZINC000267634646 1127002903 /nfs/dbraw/zinc/00/29/03/1127002903.db2.gz TWXRIIWIJORNTP-UHFFFAOYSA-N 0 1 279.387 3.595 20 0 CHADMN Cc1ccc(CN2CCC(c3ccon3)CC2)cc1F ZINC000668714012 1127012805 /nfs/dbraw/zinc/01/28/05/1127012805.db2.gz HKJKVHNFBAYKIN-UHFFFAOYSA-N 0 1 274.339 3.502 20 0 CHADMN OCCCN[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000268171079 1127013546 /nfs/dbraw/zinc/01/35/46/1127013546.db2.gz QGPRDNQMQWBKFO-INIZCTEOSA-N 0 1 293.769 3.541 20 0 CHADMN Cc1ccc([C@H](C)NCc2cn3ccsc3n2)c(C)c1 ZINC000268781913 1127023442 /nfs/dbraw/zinc/02/34/42/1127023442.db2.gz AWLVIDUSOGZHEH-ZDUSSCGKSA-N 0 1 285.416 3.863 20 0 CHADMN Cn1ncc2c1CCC[C@@H]2N[C@@H]1CC(C)(C)Cc2occc21 ZINC000268831039 1127025330 /nfs/dbraw/zinc/02/53/30/1127025330.db2.gz QYKATVGONKGFMS-LSDHHAIUSA-N 0 1 299.418 3.694 20 0 CHADMN C[C@@H](N[C@H]1c2ccccc2C[C@H]1O)c1cc2ccccc2o1 ZINC000268850277 1127026001 /nfs/dbraw/zinc/02/60/01/1127026001.db2.gz PAGPGXUBBRAEQD-FXHACXQTSA-N 0 1 293.366 3.742 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@@H](C)c1cn(C)nc1C ZINC000268866596 1127026435 /nfs/dbraw/zinc/02/64/35/1127026435.db2.gz COBHDOKQKZJMMX-OLZOCXBDSA-N 0 1 287.407 3.539 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1cn2cc(C)ccc2n1 ZINC000268856743 1127026619 /nfs/dbraw/zinc/02/66/19/1127026619.db2.gz IOMKZOOHFYKJLZ-SFHVURJKSA-N 0 1 291.398 3.728 20 0 CHADMN Cc1ccn2cc(CN[C@@H]3c4ccccc4C[C@H]3C)nc2c1 ZINC000268922538 1127028974 /nfs/dbraw/zinc/02/89/74/1127028974.db2.gz QQIHHKGNBRBCOS-KUHUBIRLSA-N 0 1 291.398 3.666 20 0 CHADMN CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000269047587 1127033369 /nfs/dbraw/zinc/03/33/69/1127033369.db2.gz ZJSKGWXIXIQJMG-OAHLLOKOSA-N 0 1 297.402 3.515 20 0 CHADMN Cc1cccc2nc(CNCc3sccc3Cl)[nH]c21 ZINC000487553406 1127034198 /nfs/dbraw/zinc/03/41/98/1127034198.db2.gz CBYHOVPPMCITQZ-UHFFFAOYSA-N 0 1 291.807 3.876 20 0 CHADMN C[C@@H](NCc1ncc(-c2ccccc2)cn1)[C@H]1CC1(C)C ZINC000487557978 1127034611 /nfs/dbraw/zinc/03/46/11/1127034611.db2.gz XTHDUXBDSUDDCK-CZUORRHYSA-N 0 1 281.403 3.668 20 0 CHADMN CC[C@@](C)(NC/C=C\c1ccncc1)c1nc(C)cs1 ZINC000487310395 1127030497 /nfs/dbraw/zinc/03/04/97/1127030497.db2.gz XXGKHZWYRABOEV-OGZRUICASA-N 0 1 287.432 3.775 20 0 CHADMN CC[C@@H]1CCC[C@@H](CN(C)[C@@H](C)c2nc(C)no2)C1 ZINC000569825228 1127031826 /nfs/dbraw/zinc/03/18/26/1127031826.db2.gz NSUGEGIBBUWDOS-IACUBPJLSA-N 0 1 265.401 3.587 20 0 CHADMN Cc1ccc2cc(CN(C)CC3=CCSC3)[nH]c2c1 ZINC000668776541 1127032295 /nfs/dbraw/zinc/03/22/95/1127032295.db2.gz IZXURNRNQNHWNY-UHFFFAOYSA-N 0 1 272.417 3.581 20 0 CHADMN CC(C)C[C@@H]1CCCN1Cc1ccnc(Br)c1 ZINC000815031625 1130953579 /nfs/dbraw/zinc/95/35/79/1130953579.db2.gz YRRIRXKUVRWOLA-ZDUSSCGKSA-N 0 1 297.240 3.855 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H](C)Oc2ccccc2C)cs1 ZINC000269404788 1127038426 /nfs/dbraw/zinc/03/84/26/1127038426.db2.gz HLCMWELMHCKBRF-CHWSQXEVSA-N 0 1 290.432 3.878 20 0 CHADMN C[C@@H](NCc1cccnc1N)c1cccc(C(F)(F)F)c1 ZINC000269365809 1127038608 /nfs/dbraw/zinc/03/86/08/1127038608.db2.gz OBBAPGHDRIKQNR-SNVBAGLBSA-N 0 1 295.308 3.533 20 0 CHADMN CO[C@H](CNCc1ccc(C2CCC2)cc1)C(F)(F)F ZINC000815126765 1130959406 /nfs/dbraw/zinc/95/94/06/1130959406.db2.gz QMEKFDOJOAUUIO-CQSZACIVSA-N 0 1 287.325 3.621 20 0 CHADMN Cc1nc([C@H](C)NC[C@H](C)Oc2cccc(C)c2)cs1 ZINC000269431488 1127039682 /nfs/dbraw/zinc/03/96/82/1127039682.db2.gz PQOCGAADQIQGTP-STQMWFEESA-N 0 1 290.432 3.878 20 0 CHADMN Cc1ccncc1CN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000269604088 1127042694 /nfs/dbraw/zinc/04/26/94/1127042694.db2.gz WRJMIIPPCLIRRB-IBGZPJMESA-N 0 1 296.414 3.571 20 0 CHADMN Cc1ccncc1CN1CCC[C@H]1c1ccc(F)cc1 ZINC000269683535 1127044520 /nfs/dbraw/zinc/04/45/20/1127044520.db2.gz MMMMTNPBRBGTCB-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccncc1CN1CCSC[C@H]1c1ccccc1 ZINC000269510190 1127040526 /nfs/dbraw/zinc/04/05/26/1127040526.db2.gz FBLCLOXHQPKHMG-KRWDZBQOSA-N 0 1 284.428 3.680 20 0 CHADMN Cc1cc([C@H](NCc2cncs2)C2CC2)ccc1F ZINC000270301077 1127052876 /nfs/dbraw/zinc/05/28/76/1127052876.db2.gz RYQKCWYXQOUECY-OAHLLOKOSA-N 0 1 276.380 3.832 20 0 CHADMN COc1cc(C)nc(CN2CCC[C@H]2c2cccs2)c1 ZINC000270263701 1127053026 /nfs/dbraw/zinc/05/30/26/1127053026.db2.gz KGUCHZVWZPKLBS-HNNXBMFYSA-N 0 1 288.416 3.797 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1C[C@@H](C)C[C@H](C)C1 ZINC000488040791 1127053510 /nfs/dbraw/zinc/05/35/10/1127053510.db2.gz GHHLHIBQOVXPGO-STQMWFEESA-N 0 1 289.398 3.673 20 0 CHADMN COCCN(Cc1ncc(C(C)(C)C)o1)[C@@H]1CCC[C@@H]1C ZINC000488083082 1127054889 /nfs/dbraw/zinc/05/48/89/1127054889.db2.gz YUXBJGLXDSQVDQ-UONOGXRCSA-N 0 1 294.439 3.609 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1ncc(C2CC2)o1 ZINC000270525656 1127056737 /nfs/dbraw/zinc/05/67/37/1127056737.db2.gz DOHWHVVZSLENFI-CZUORRHYSA-N 0 1 282.387 3.930 20 0 CHADMN C[C@@H](N[C@H]1CCc2c1cccc2O)c1ccc(Cl)nc1 ZINC000270515991 1127056812 /nfs/dbraw/zinc/05/68/12/1127056812.db2.gz QKXHSPCZKPHEBT-YGRLFVJLSA-N 0 1 288.778 3.779 20 0 CHADMN Cc1cc(Cl)nc(Cl)c1CN1CCC[C@H]2C[C@H]21 ZINC001236610960 1130983602 /nfs/dbraw/zinc/98/36/02/1130983602.db2.gz JPTFSDDQTURMLZ-GXSJLCMTSA-N 0 1 271.191 3.681 20 0 CHADMN C[C@H](NCc1ccnc(N)c1)c1cc(Cl)ccc1Cl ZINC000488168130 1127060273 /nfs/dbraw/zinc/06/02/73/1127060273.db2.gz KQTXNEFHCRXOMX-VIFPVBQESA-N 0 1 296.201 3.652 20 0 CHADMN C[C@@H]1CSCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000488173259 1127061054 /nfs/dbraw/zinc/06/10/54/1127061054.db2.gz CZSGCKPRPDIGAK-JTQLQIEISA-N 0 1 273.804 3.664 20 0 CHADMN C[C@@H]1CSCCN(Cc2cc(Cl)ccc2F)C1 ZINC000488199949 1127061777 /nfs/dbraw/zinc/06/17/77/1127061777.db2.gz QNPCIDNXGMCOTP-JTQLQIEISA-N 0 1 273.804 3.664 20 0 CHADMN CC(C)CN(Cc1ccc(CO)o1)Cc1ccccc1F ZINC000271090226 1127068454 /nfs/dbraw/zinc/06/84/54/1127068454.db2.gz SUSFRRLUUQMPFX-UHFFFAOYSA-N 0 1 291.366 3.569 20 0 CHADMN CCCn1nc(C)c(C[N@@H+](C)Cc2cccs2)c1C ZINC000271017745 1127064827 /nfs/dbraw/zinc/06/48/27/1127064827.db2.gz SGXOJULAEPIEHE-UHFFFAOYSA-N 0 1 277.437 3.603 20 0 CHADMN CCCn1nc(C)c(CN(C)Cc2cccs2)c1C ZINC000271017745 1127064832 /nfs/dbraw/zinc/06/48/32/1127064832.db2.gz SGXOJULAEPIEHE-UHFFFAOYSA-N 0 1 277.437 3.603 20 0 CHADMN Cc1nc(SCC2(C)COC2)[nH]c1-c1ccccc1 ZINC000488266878 1127066318 /nfs/dbraw/zinc/06/63/18/1127066318.db2.gz QLNQWHDIORRJAH-UHFFFAOYSA-N 0 1 274.389 3.514 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cnc3cnccn23)c(C)c1 ZINC000271045259 1127066283 /nfs/dbraw/zinc/06/62/83/1127066283.db2.gz LODBVOBZJRMISB-OAHLLOKOSA-N 0 1 294.402 3.539 20 0 CHADMN CC[C@@H](CN[C@@H](C)c1cscn1)Oc1cccc(F)c1 ZINC000271106308 1127068670 /nfs/dbraw/zinc/06/86/70/1127068670.db2.gz GFEYBDQQCOTZHP-AAEUAGOBSA-N 0 1 294.395 3.790 20 0 CHADMN CC(C)[C@@H](CN[C@H](C)c1cscn1)Nc1ccccc1 ZINC000271126042 1127069923 /nfs/dbraw/zinc/06/99/23/1127069923.db2.gz KOJBAJZXKCQUMF-UKRRQHHQSA-N 0 1 289.448 3.930 20 0 CHADMN CC(C)CO[C@@H]1CCN(Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488289982 1127070911 /nfs/dbraw/zinc/07/09/11/1127070911.db2.gz GKACKDOPFZNVDU-MRXNPFEDSA-N 0 1 290.382 3.554 20 0 CHADMN Cc1c(F)ccc(CN2C[C@H]3CC[C@@H]2C3)c1Cl ZINC001236720271 1130999461 /nfs/dbraw/zinc/99/94/61/1130999461.db2.gz ZIHQRJMSKHBRIS-CMPLNLGQSA-N 0 1 253.748 3.772 20 0 CHADMN CCN(Cc1ccc(Cl)cc1)Cc1cc(C)nc(C)n1 ZINC000659858100 1127075172 /nfs/dbraw/zinc/07/51/72/1127075172.db2.gz SMJCCRIWCGJGFY-UHFFFAOYSA-N 0 1 289.810 3.769 20 0 CHADMN Cc1cnc(CN2CC[C@@H](c3ccc(F)cc3)C2)s1 ZINC000271373481 1127077694 /nfs/dbraw/zinc/07/76/94/1127077694.db2.gz NPJNEESHAQVLPE-CYBMUJFWSA-N 0 1 276.380 3.580 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](C)c2oc3ccccc3c2C)n[nH]1 ZINC000271419517 1127079745 /nfs/dbraw/zinc/07/97/45/1127079745.db2.gz BSVZMBPHSLQPIX-VXGBXAGGSA-N 0 1 298.390 3.834 20 0 CHADMN CO[C@H](C)[C@@H](C)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000271411553 1127079854 /nfs/dbraw/zinc/07/98/54/1127079854.db2.gz AFJDJZJSCVACGI-FRRDWIJNSA-N 0 1 290.432 3.884 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H](C)c2cccc(Cl)c2)n[nH]1 ZINC000271411481 1127079863 /nfs/dbraw/zinc/07/98/63/1127079863.db2.gz ASIUFRRLCWFCKR-QWRGUYRKSA-N 0 1 292.814 3.993 20 0 CHADMN Cc1nc([C@H](C)NC[C@H](C)c2c(C)noc2C)cs1 ZINC000271444135 1127082043 /nfs/dbraw/zinc/08/20/43/1127082043.db2.gz CRIZUSUPSVWGGW-IUCAKERBSA-N 0 1 279.409 3.511 20 0 CHADMN CC[C@@H]1CN(C/C=C/c2ccc(F)c(F)c2)CCS1 ZINC000570248332 1127082420 /nfs/dbraw/zinc/08/24/20/1127082420.db2.gz OYNCFZPKXYXGBY-ITDFMYJTSA-N 0 1 283.387 3.805 20 0 CHADMN COc1cc(CN2CCCCC[C@@H]2C)c(F)cc1F ZINC001236824635 1131013173 /nfs/dbraw/zinc/01/31/73/1131013173.db2.gz SLWIAIWKIXOLAN-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN C[C@@H](N[C@@H]1CC2(CCC2)Oc2ccccc21)c1cn[nH]c1 ZINC000271457798 1127083720 /nfs/dbraw/zinc/08/37/20/1127083720.db2.gz GYRKEJZMCPNQHR-IUODEOHRSA-N 0 1 283.375 3.507 20 0 CHADMN COc1ccnc([C@@H](C)N[C@@H]2CCc3c2cccc3F)c1 ZINC000924841134 1127083972 /nfs/dbraw/zinc/08/39/72/1127083972.db2.gz ABUWLMNZSGHNFC-BDJLRTHQSA-N 0 1 286.350 3.567 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H]1CCCc2occc21 ZINC000271457451 1127084001 /nfs/dbraw/zinc/08/40/01/1127084001.db2.gz PJQDRSQKEZYFMC-DOMZBBRYSA-N 0 1 256.349 3.711 20 0 CHADMN Cc1n[nH]cc1CN[C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000271508316 1127087763 /nfs/dbraw/zinc/08/77/63/1127087763.db2.gz OEBYBDNZSWEDED-ZDUSSCGKSA-N 0 1 283.375 3.932 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](CO)c2ccc(F)cc2)cc1 ZINC000271483497 1127085534 /nfs/dbraw/zinc/08/55/34/1127085534.db2.gz NRZJCQXBCSWVKC-SCLBCKFNSA-N 0 1 287.378 3.772 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](C)c2cc3ccccc3o2)n[nH]1 ZINC000271484694 1127085696 /nfs/dbraw/zinc/08/56/96/1127085696.db2.gz JZSVUIQXJMCGRP-GHMZBOCLSA-N 0 1 284.363 3.525 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000271499435 1127086954 /nfs/dbraw/zinc/08/69/54/1127086954.db2.gz LXNBGTBTVZBRSH-STQMWFEESA-N 0 1 272.396 3.648 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H]2CCCc3c[nH]nc32)cc1C ZINC000271513679 1127087503 /nfs/dbraw/zinc/08/75/03/1127087503.db2.gz OJNXWSRXWAHLEW-CJNGLKHVSA-N 0 1 269.392 3.755 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@@H](CO)c2ccc(F)cc2)c1 ZINC000271520882 1127088572 /nfs/dbraw/zinc/08/85/72/1127088572.db2.gz UVHHZMKECFXNMX-KSSFIOAISA-N 0 1 287.378 3.827 20 0 CHADMN CC(C)c1ccccc1NC(=O)c1ccc2n1CCN[C@@H]2C ZINC000911931458 1127090624 /nfs/dbraw/zinc/09/06/24/1127090624.db2.gz PBMLMLRIHJEUMJ-CYBMUJFWSA-N 0 1 297.402 3.528 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H](C)c2ccc3c(c2)CCC3)n[nH]1 ZINC000271550801 1127090745 /nfs/dbraw/zinc/09/07/45/1127090745.db2.gz RZFVEFNCPVWQDT-QWHCGFSZSA-N 0 1 298.434 3.829 20 0 CHADMN COc1cc(Cl)ccc1CN[C@H](C)c1cnccc1C ZINC000271552144 1127090943 /nfs/dbraw/zinc/09/09/43/1127090943.db2.gz MNXRJPKYXLPWIH-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1OC(F)(F)F ZINC000271593562 1127094183 /nfs/dbraw/zinc/09/41/83/1127094183.db2.gz YQCKZMCTUDMMBH-VHSXEESVSA-N 0 1 299.296 3.720 20 0 CHADMN COc1cccc(C2(NCc3ccnc(Cl)c3)CC2)c1 ZINC000271682060 1127096427 /nfs/dbraw/zinc/09/64/27/1127096427.db2.gz GNORWBTXTYEQMW-UHFFFAOYSA-N 0 1 288.778 3.523 20 0 CHADMN Cc1ccccc1[C@H](CC(C)C)NCc1ccno1 ZINC000271683134 1127096564 /nfs/dbraw/zinc/09/65/64/1127096564.db2.gz ITNGSPCGYWHIFO-INIZCTEOSA-N 0 1 258.365 3.860 20 0 CHADMN CC[C@H](NCc1cc2ccccc2s1)c1nccn1C ZINC000271675441 1127097083 /nfs/dbraw/zinc/09/70/83/1127097083.db2.gz HFWXGOKNSXHCPQ-AWEZNQCLSA-N 0 1 285.416 3.876 20 0 CHADMN Cc1ccccc1[C@@H](CC(C)C)NCc1ccno1 ZINC000271683135 1127097313 /nfs/dbraw/zinc/09/73/13/1127097313.db2.gz ITNGSPCGYWHIFO-MRXNPFEDSA-N 0 1 258.365 3.860 20 0 CHADMN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc(F)c1O ZINC001274623195 1127111714 /nfs/dbraw/zinc/11/17/14/1127111714.db2.gz HEKMRKPCJGSSRX-NWDGAFQWSA-N 0 1 293.382 3.818 20 0 CHADMN Cc1n[nH]cc1CN[C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000274307469 1127112707 /nfs/dbraw/zinc/11/27/07/1127112707.db2.gz SLNIIRZMTYOWJM-LBPRGKRZSA-N 0 1 287.407 3.746 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1cncc(C)c1)CCO2 ZINC000274342706 1127113373 /nfs/dbraw/zinc/11/33/73/1127113373.db2.gz DMQCWTOJQSDQDP-GUYCJALGSA-N 0 1 298.386 3.573 20 0 CHADMN COCc1ccc(CN(C)Cc2cc(F)cc(F)c2)cc1 ZINC000339127957 1127114845 /nfs/dbraw/zinc/11/48/45/1127114845.db2.gz MCXLDYFTVAMRBP-UHFFFAOYSA-N 0 1 291.341 3.743 20 0 CHADMN Cc1ccc(CN(Cc2ncccc2C)CC2CC2)cn1 ZINC000646020121 1127115197 /nfs/dbraw/zinc/11/51/97/1127115197.db2.gz JJXFPLBDWZSFJV-UHFFFAOYSA-N 0 1 281.403 3.506 20 0 CHADMN CCn1ccnc1[C@@H]1CCCCN1[C@@H]1C=CCCC1 ZINC000339150021 1127115865 /nfs/dbraw/zinc/11/58/65/1127115865.db2.gz MGSLPTDJTRQNLP-CABCVRRESA-N 0 1 259.397 3.539 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cn(C)nc2C(F)F)cc1 ZINC000274448723 1127119951 /nfs/dbraw/zinc/11/99/51/1127119951.db2.gz DQDUGZSPWBSHHX-LLVKDONJSA-N 0 1 279.334 3.517 20 0 CHADMN C[C@@H](NCc1cn(C)nc1C(F)F)c1cccc(Cl)c1 ZINC000274481559 1127120251 /nfs/dbraw/zinc/12/02/51/1127120251.db2.gz MQEUHUGIIQJODE-SECBINFHSA-N 0 1 299.752 3.862 20 0 CHADMN CC(C)C[C@@H](C)C[C@@H](C)NCc1nccc(C(F)F)n1 ZINC000348752227 1127126513 /nfs/dbraw/zinc/12/65/13/1127126513.db2.gz GIVWRLWISGBVSG-VXGBXAGGSA-N 0 1 285.382 3.965 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)[nH]1 ZINC000283236021 1127126772 /nfs/dbraw/zinc/12/67/72/1127126772.db2.gz TXKKDYBRUOSEKJ-NORZTCDRSA-N 0 1 297.402 3.522 20 0 CHADMN COc1cc([C@H](C)N[C@H](C)c2ccsc2)ccn1 ZINC000348680067 1127124325 /nfs/dbraw/zinc/12/43/25/1127124325.db2.gz JKGRKFFSMGRRCR-WDEREUQCSA-N 0 1 262.378 3.564 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@@H]2c2cccnc2)c1 ZINC000348918342 1127134232 /nfs/dbraw/zinc/13/42/32/1127134232.db2.gz BWRZMMSQSKKGCR-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN CCN(C(=O)c1cccc2[nH]c(C)nc21)C1CCCCC1 ZINC000283558422 1127143256 /nfs/dbraw/zinc/14/32/56/1127143256.db2.gz UPVNFWXGMDZZDC-UHFFFAOYSA-N 0 1 285.391 3.666 20 0 CHADMN CC[C@H](CC(F)(F)F)NCc1cccnc1Cl ZINC000760652739 1127143655 /nfs/dbraw/zinc/14/36/55/1127143655.db2.gz RJTZWKLOMCIVIX-SECBINFHSA-N 0 1 266.694 3.556 20 0 CHADMN Cc1cccc(CN(Cc2ccccn2)C2CC2)c1C ZINC000349283899 1127146567 /nfs/dbraw/zinc/14/65/67/1127146567.db2.gz RDYSEJBILSXZFP-UHFFFAOYSA-N 0 1 266.388 3.863 20 0 CHADMN OC[C@H](N[C@@H]1CCCc2cc(F)ccc21)c1ccsc1 ZINC000349356101 1127148374 /nfs/dbraw/zinc/14/83/74/1127148374.db2.gz PNVWLOOSABIIOT-CVEARBPZSA-N 0 1 291.391 3.588 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3occc32)cnc1Cl ZINC000760654554 1127148593 /nfs/dbraw/zinc/14/85/93/1127148593.db2.gz AMNMBTMRIKFKFX-CYBMUJFWSA-N 0 1 276.767 3.804 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](CO)c2ccsc2)cc1C ZINC000349378035 1127149043 /nfs/dbraw/zinc/14/90/43/1127149043.db2.gz KJYNWJBSLJHSQS-XJKSGUPXSA-N 0 1 275.417 3.749 20 0 CHADMN CCOc1cccc(CN(C)[C@@H](C)c2ccccc2)n1 ZINC000349543923 1127153137 /nfs/dbraw/zinc/15/31/37/1127153137.db2.gz JQCUPQMCFZZMNM-AWEZNQCLSA-N 0 1 270.376 3.673 20 0 CHADMN CCOc1cccc(CCNCc2ncc(Cl)s2)c1 ZINC000349569019 1127154277 /nfs/dbraw/zinc/15/42/77/1127154277.db2.gz NSWDVCQAFOXQLA-UHFFFAOYSA-N 0 1 296.823 3.528 20 0 CHADMN COC[C@H]1CCCN1Cc1c(Cl)ccc(C)c1Cl ZINC001237327974 1131083516 /nfs/dbraw/zinc/08/35/16/1131083516.db2.gz JYSLPANLFCLKKF-LLVKDONJSA-N 0 1 288.218 3.913 20 0 CHADMN Cc1ccc([C@H](N[C@@H]2c3ccccc3C[C@H]2O)C2CCC2)o1 ZINC000349454698 1127151440 /nfs/dbraw/zinc/15/14/40/1127151440.db2.gz PUGKDKUEGOGXKH-BHIYHBOVSA-N 0 1 297.398 3.677 20 0 CHADMN Cc1ccc2[nH]c(CN[C@H](CCO)c3ccco3)cc2c1C ZINC000349648491 1127156929 /nfs/dbraw/zinc/15/69/29/1127156929.db2.gz ZWJKXDDXQLHSJL-QGZVFWFLSA-N 0 1 298.386 3.591 20 0 CHADMN Cc1cccc(CN(C)Cc2cnc3cccc(C)n23)c1 ZINC000349699512 1127158550 /nfs/dbraw/zinc/15/85/50/1127158550.db2.gz NKEONFGQOLDUDS-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cccc3c2OCO3)cc1 ZINC000924858641 1127159985 /nfs/dbraw/zinc/15/99/85/1127159985.db2.gz PDLXDJUAQAWGRX-CHWSQXEVSA-N 0 1 299.370 3.836 20 0 CHADMN c1cc2c(cccc2CN2CCO[C@H](c3ccccc3)C2)[nH]1 ZINC000349799808 1127162352 /nfs/dbraw/zinc/16/23/52/1127162352.db2.gz BGDGAHAEPYKYPR-IBGZPJMESA-N 0 1 292.382 3.741 20 0 CHADMN Cc1cc2cc(C[N@@H+](C)C[C@@H]3CCCO3)oc2cc1C ZINC000349817537 1127162936 /nfs/dbraw/zinc/16/29/36/1127162936.db2.gz BAHOCHSGMYHEMO-HNNXBMFYSA-N 0 1 273.376 3.660 20 0 CHADMN CCO[C@@H](CC)c1noc(-c2ccc(O)c(Cl)c2)n1 ZINC000157372237 1127164095 /nfs/dbraw/zinc/16/40/95/1127164095.db2.gz SAWODNCTVVCHCA-NSHDSACASA-N 0 1 282.727 3.583 20 0 CHADMN CCc1ccc(CNCc2ccccc2N(C)CC)o1 ZINC000760677524 1127173786 /nfs/dbraw/zinc/17/37/86/1127173786.db2.gz KJNRBCJZSYIWIK-UHFFFAOYSA-N 0 1 272.392 3.588 20 0 CHADMN COc1cccc(CN(C)c2ccnc(C)c2Cl)c1 ZINC000350260263 1127176418 /nfs/dbraw/zinc/17/64/18/1127176418.db2.gz ZLXSERHTQYIOBG-UHFFFAOYSA-N 0 1 276.767 3.688 20 0 CHADMN COCC[C@@H](NCc1ccc2c(c1)CCC2)c1ccc(C)o1 ZINC000350250511 1127176508 /nfs/dbraw/zinc/17/65/08/1127176508.db2.gz OESCFJFJXCBICH-GOSISDBHSA-N 0 1 299.414 3.944 20 0 CHADMN Cc1cc(CN(C)Cc2cccnc2)cc2cccnc12 ZINC000350355268 1127177254 /nfs/dbraw/zinc/17/72/54/1127177254.db2.gz NDCGUROBZLZWIU-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN CN(Cc1cccnc1)Cc1cccc(-c2ccncc2)c1 ZINC000350354563 1127177345 /nfs/dbraw/zinc/17/73/45/1127177345.db2.gz LQCUFUZUWKCKHT-UHFFFAOYSA-N 0 1 289.382 3.776 20 0 CHADMN Cc1cc([C@@H](C)NCCCCOc2ccc(F)cc2)no1 ZINC000284182646 1127177767 /nfs/dbraw/zinc/17/77/67/1127177767.db2.gz RCJAQKBBLNYBNQ-CYBMUJFWSA-N 0 1 292.354 3.632 20 0 CHADMN Cc1cc([C@@H](C)NCC2(c3cccc(F)c3)CC2)no1 ZINC000284188795 1127178670 /nfs/dbraw/zinc/17/86/70/1127178670.db2.gz RKHIVEOWYGBEGS-GFCCVEGCSA-N 0 1 274.339 3.505 20 0 CHADMN Cc1cc(Nc2cc3cn[nH]c3cc2C)nc(C2CC2)n1 ZINC000571872716 1127179504 /nfs/dbraw/zinc/17/95/04/1127179504.db2.gz XRGYSRJTZUPHTE-UHFFFAOYSA-N 0 1 279.347 3.591 20 0 CHADMN Cc1cc([C@@H](C)NC[C@@H](C)Oc2ccc(Cl)cc2)no1 ZINC000284287812 1127180047 /nfs/dbraw/zinc/18/00/47/1127180047.db2.gz XSFVBKGPJNIPPQ-VXGBXAGGSA-N 0 1 294.782 3.755 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1cnc(C(C)(C)C)nc1 ZINC000284426962 1127182687 /nfs/dbraw/zinc/18/26/87/1127182687.db2.gz RROQGZZANCATCL-QGZVFWFLSA-N 0 1 295.430 3.860 20 0 CHADMN CC(C)C[C@@H](C)N(C)Cc1nccn1Cc1ccccc1 ZINC000351051231 1127184725 /nfs/dbraw/zinc/18/47/25/1127184725.db2.gz DYANFHQBMHMBQF-MRXNPFEDSA-N 0 1 285.435 3.798 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccnc(OC(F)F)c2)c(C)o1 ZINC000284496667 1127187204 /nfs/dbraw/zinc/18/72/04/1127187204.db2.gz XHKKVAJVPMPDCU-SNVBAGLBSA-N 0 1 296.317 3.744 20 0 CHADMN Cc1ccccc1Cc1nnc(CN2CCC[C@@H]2C(C)C)o1 ZINC000351472785 1127189110 /nfs/dbraw/zinc/18/91/10/1127189110.db2.gz QHGLFNNAIKKHJG-MRXNPFEDSA-N 0 1 299.418 3.589 20 0 CHADMN Cc1ncncc1[C@H](C)NCc1cccc(C(F)(F)F)c1 ZINC000572060319 1127190482 /nfs/dbraw/zinc/19/04/82/1127190482.db2.gz MLQYNQHXYMVRCK-JTQLQIEISA-N 0 1 295.308 3.655 20 0 CHADMN c1cc(CN2CCC[C@]3(CCCc4ccccc43)C2)no1 ZINC000351524400 1127191591 /nfs/dbraw/zinc/19/15/91/1127191591.db2.gz QMZAZMAXKJUNDM-GOSISDBHSA-N 0 1 282.387 3.545 20 0 CHADMN COc1cccc(CNc2nccn2Cc2ccccc2)c1 ZINC000351541557 1127192452 /nfs/dbraw/zinc/19/24/52/1127192452.db2.gz APPMKXBIIZKNCU-UHFFFAOYSA-N 0 1 293.370 3.552 20 0 CHADMN CCOc1cccc(CNc2nccn2-c2ccccc2)c1 ZINC000351568140 1127194559 /nfs/dbraw/zinc/19/45/59/1127194559.db2.gz LUULFBOQRPCJSS-UHFFFAOYSA-N 0 1 293.370 3.883 20 0 CHADMN CCOc1ccc(CN(Cc2cnc(C)nc2)C(C)C)cc1 ZINC000351580527 1127195132 /nfs/dbraw/zinc/19/51/32/1127195132.db2.gz CKUGPNGTCXQFML-UHFFFAOYSA-N 0 1 299.418 3.594 20 0 CHADMN Cc1ncsc1CN1CCc2c(C)cc(C)cc2C1 ZINC000351591002 1127195823 /nfs/dbraw/zinc/19/58/23/1127195823.db2.gz ALVCKPVIUZXCFC-UHFFFAOYSA-N 0 1 272.417 3.627 20 0 CHADMN O=C([O-])c1ccoc1C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000572296062 1127197836 /nfs/dbraw/zinc/19/78/36/1127197836.db2.gz MCNHURNKGINYJD-MRXNPFEDSA-N 0 1 297.354 3.630 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cnc(C)s2)c1C ZINC000658353947 1127198498 /nfs/dbraw/zinc/19/84/98/1127198498.db2.gz RONHZWLSLBCNRS-NSHDSACASA-N 0 1 276.405 3.619 20 0 CHADMN O=C(C[C@H]1C[C@H]1c1ccccc1)Nc1ccc2nc[nH]c2c1 ZINC000351640907 1127200185 /nfs/dbraw/zinc/20/01/85/1127200185.db2.gz JZPAWUHYKKDANR-HIFRSBDPSA-N 0 1 291.354 3.695 20 0 CHADMN O=C(C[C@@H]1C[C@H]1c1ccccc1)Nc1ccc2nc[nH]c2c1 ZINC000351640909 1127200252 /nfs/dbraw/zinc/20/02/52/1127200252.db2.gz JZPAWUHYKKDANR-ZFWWWQNUSA-N 0 1 291.354 3.695 20 0 CHADMN CC[C@@H](C)CCC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000351641333 1127200303 /nfs/dbraw/zinc/20/03/03/1127200303.db2.gz NFPDVKSDEBQDDR-HUUCEWRRSA-N 0 1 294.439 3.605 20 0 CHADMN Cc1ccc(CN(Cc2ccnc(C)n2)C2CC2)cc1C ZINC000351646137 1127201150 /nfs/dbraw/zinc/20/11/50/1127201150.db2.gz ZBINJHBPQZRING-UHFFFAOYSA-N 0 1 281.403 3.566 20 0 CHADMN CCN(CCc1cccs1)Cc1nc2ccccc2n1C ZINC000351659524 1127202010 /nfs/dbraw/zinc/20/20/10/1127202010.db2.gz RPXXNVJDKJEBDT-UHFFFAOYSA-N 0 1 299.443 3.699 20 0 CHADMN c1cc(C2CCC2)ccc1CN1CCOC2(CCC2)C1 ZINC000351657392 1127202289 /nfs/dbraw/zinc/20/22/89/1127202289.db2.gz AGCOMFNDGUQDMU-UHFFFAOYSA-N 0 1 271.404 3.709 20 0 CHADMN Clc1ccc(CN2CCC[C@H]2[C@@H]2CCCO2)s1 ZINC000284732670 1127202346 /nfs/dbraw/zinc/20/23/46/1127202346.db2.gz KLHZTHSGADUGAL-RYUDHWBXSA-N 0 1 271.813 3.545 20 0 CHADMN C[C@H](O)[C@@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 ZINC000543748540 1127203767 /nfs/dbraw/zinc/20/37/67/1127203767.db2.gz XCUGCJKIQJAOTD-WDEREUQCSA-N 0 1 288.218 3.586 20 0 CHADMN C[C@@H](O)[C@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 ZINC000543748536 1127203979 /nfs/dbraw/zinc/20/39/79/1127203979.db2.gz XCUGCJKIQJAOTD-MNOVXSKESA-N 0 1 288.218 3.586 20 0 CHADMN Cc1cccc(NC(=O)[C@H](C)N2CCC(C)(C)CC2)c1C ZINC000588905061 1127204098 /nfs/dbraw/zinc/20/40/98/1127204098.db2.gz WDJCJWFEORZRAJ-HNNXBMFYSA-N 0 1 288.435 3.752 20 0 CHADMN CN(Cc1cc(-c2cccs2)on1)CC(C)(C)C ZINC000588901554 1127204416 /nfs/dbraw/zinc/20/44/16/1127204416.db2.gz OTGOZCPZERNFCX-UHFFFAOYSA-N 0 1 264.394 3.881 20 0 CHADMN Cc1ccc(-c2noc(CN(C)CC(C)(C)C)n2)cc1 ZINC000588902737 1127204776 /nfs/dbraw/zinc/20/47/76/1127204776.db2.gz ZUNYNGWDTRHPOT-UHFFFAOYSA-N 0 1 273.380 3.523 20 0 CHADMN CC[C@@H](NCC[C@H](C)F)c1nc(C(F)(F)F)cs1 ZINC000351730482 1127206349 /nfs/dbraw/zinc/20/63/49/1127206349.db2.gz OUOOPOIODIPABO-JGVFFNPUSA-N 0 1 284.322 3.951 20 0 CHADMN CC(C)c1nnc(CN2CC[C@H](C)[C@@H]3CCCC[C@H]32)o1 ZINC000588935830 1127207520 /nfs/dbraw/zinc/20/75/20/1127207520.db2.gz ZFWFCRIIZWVIRC-MELADBBJSA-N 0 1 277.412 3.594 20 0 CHADMN CCn1cc(CCN2CC[C@H]2c2ccc(Cl)cc2)cn1 ZINC000284846855 1127209441 /nfs/dbraw/zinc/20/94/41/1127209441.db2.gz CKCUHOYSUMHTAT-INIZCTEOSA-N 0 1 289.810 3.546 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2CF)ccc1OC(C)C ZINC001237730224 1131133931 /nfs/dbraw/zinc/13/39/31/1131133931.db2.gz HJZPXCXINFCAMV-OAHLLOKOSA-N 0 1 265.372 3.716 20 0 CHADMN CCN(c1ccc(N[C@@H](C)c2cn[nH]c2)cc1)C(C)C ZINC000284853515 1127209645 /nfs/dbraw/zinc/20/96/45/1127209645.db2.gz AFQCILNAHODHPY-ZDUSSCGKSA-N 0 1 272.396 3.818 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2cc(Cl)ccc21)c1cn[nH]c1 ZINC000285014287 1127214488 /nfs/dbraw/zinc/21/44/88/1127214488.db2.gz HFLKWDZDBGZBRA-QMTHXVAHSA-N 0 1 291.782 3.628 20 0 CHADMN Cc1csc([C@@H]2CCCCN2CC[C@@H](C)F)n1 ZINC000352131722 1127219243 /nfs/dbraw/zinc/21/92/43/1127219243.db2.gz VGIUHRIQBVBGQG-PWSUYJOCSA-N 0 1 256.390 3.727 20 0 CHADMN CC1=CC[C@@H](NCc2ncc(-c3ccccc3)cn2)CC1 ZINC000285256780 1127220942 /nfs/dbraw/zinc/22/09/42/1127220942.db2.gz QEMXSKWFSASMTF-QGZVFWFLSA-N 0 1 279.387 3.732 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1ccc(C)cc1C ZINC000285349463 1127223324 /nfs/dbraw/zinc/22/33/24/1127223324.db2.gz AOTJYXYTXMNBEV-UHFFFAOYSA-N 0 1 272.392 3.933 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(Cl)cn2)cc1C ZINC000572712298 1127224400 /nfs/dbraw/zinc/22/44/00/1127224400.db2.gz NONRKOIBJXMUAM-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000352425154 1127231155 /nfs/dbraw/zinc/23/11/55/1127231155.db2.gz XSXGZUUXCBYSBW-COXVUDFISA-N 0 1 289.394 3.920 20 0 CHADMN Cc1cc([C@@H](C)NCCc2ccc(Cl)s2)no1 ZINC000285416521 1127226633 /nfs/dbraw/zinc/22/66/33/1127226633.db2.gz XZOCQDMAYONLBL-SECBINFHSA-N 0 1 270.785 3.591 20 0 CHADMN COCCCC[C@@H](NCc1cc(C)no1)c1ccccc1 ZINC000352365171 1127227089 /nfs/dbraw/zinc/22/70/89/1127227089.db2.gz ODGQCXKLPCRZLD-QGZVFWFLSA-N 0 1 288.391 3.631 20 0 CHADMN Cc1ccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)cc1C ZINC000352391322 1127228297 /nfs/dbraw/zinc/22/82/97/1127228297.db2.gz KCRLKTYDLGROKG-MRXNPFEDSA-N 0 1 289.810 3.600 20 0 CHADMN c1ccc([C@@H]2CCCN(Cc3nnc(C4CC4)o3)CC2)cc1 ZINC000589609821 1127230378 /nfs/dbraw/zinc/23/03/78/1127230378.db2.gz QTNWOVVTRJGGOT-OAHLLOKOSA-N 0 1 297.402 3.717 20 0 CHADMN Fc1ccccc1CNCc1ccc2cccnc2c1 ZINC000589635915 1127231044 /nfs/dbraw/zinc/23/10/44/1127231044.db2.gz BMMRUCZJSRTXON-UHFFFAOYSA-N 0 1 266.319 3.664 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(C(C)C)cc2)[nH]n1 ZINC000589636115 1127231134 /nfs/dbraw/zinc/23/11/34/1127231134.db2.gz IHXHUZFRJQHBNC-CYBMUJFWSA-N 0 1 257.381 3.692 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1n[nH]c2ccccc12 ZINC000589638222 1127231448 /nfs/dbraw/zinc/23/14/48/1127231448.db2.gz PZAUXLGMTYXMHN-ZDUSSCGKSA-N 0 1 295.386 3.731 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1[nH]nc2ccccc21 ZINC000589638222 1127231451 /nfs/dbraw/zinc/23/14/51/1127231451.db2.gz PZAUXLGMTYXMHN-ZDUSSCGKSA-N 0 1 295.386 3.731 20 0 CHADMN Clc1ccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000352448523 1127233720 /nfs/dbraw/zinc/23/37/20/1127233720.db2.gz TUZNKOIMCZRTOR-HOTGVXAUSA-N 0 1 291.822 3.874 20 0 CHADMN Clc1ccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000352448522 1127234373 /nfs/dbraw/zinc/23/43/73/1127234373.db2.gz TUZNKOIMCZRTOR-CVEARBPZSA-N 0 1 291.822 3.874 20 0 CHADMN Clc1ccc(CNCc2ccc3cccnc3c2)o1 ZINC000589635075 1127231415 /nfs/dbraw/zinc/23/14/15/1127231415.db2.gz KKSMXIHSQKULNR-UHFFFAOYSA-N 0 1 272.735 3.771 20 0 CHADMN CSCc1ccc(CNCc2occc2C)cc1 ZINC000285569825 1127238187 /nfs/dbraw/zinc/23/81/87/1127238187.db2.gz UDESIYGXDVFLIJ-UHFFFAOYSA-N 0 1 261.390 3.741 20 0 CHADMN COc1cc(CNC(C)(C)c2c(C)noc2C)ccc1C ZINC000285623330 1127239775 /nfs/dbraw/zinc/23/97/75/1127239775.db2.gz YHOXVZKYUMVHDH-UHFFFAOYSA-N 0 1 288.391 3.633 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@@H]2CCc3ccccc32)c1 ZINC000285649183 1127239954 /nfs/dbraw/zinc/23/99/54/1127239954.db2.gz MECKMFXWCFGMFZ-CZUORRHYSA-N 0 1 252.361 3.728 20 0 CHADMN CC[C@@H](NC1CC(OC(C)(C)C)C1)c1nccs1 ZINC000352790472 1127245474 /nfs/dbraw/zinc/24/54/74/1127245474.db2.gz TWPSMUFMSLIBKG-HTAVTVPLSA-N 0 1 268.426 3.530 20 0 CHADMN O=C1CC(CNc2ccc3nc(-c4ccccc4)[nH]c3c2)C1 ZINC001168398071 1127247659 /nfs/dbraw/zinc/24/76/59/1127247659.db2.gz HWSGIESPMAUVMG-UHFFFAOYSA-N 0 1 291.354 3.621 20 0 CHADMN C[S@](=O)c1ccc(CN2CCC(C(C)(C)C)CC2)cc1 ZINC000352911780 1127250603 /nfs/dbraw/zinc/25/06/03/1127250603.db2.gz ASQCVRIKMXSUGX-FQEVSTJZSA-N 0 1 293.476 3.682 20 0 CHADMN COc1cccc(C2=CCN(Cc3ccc(C)cn3)CC2)c1 ZINC000352956257 1127253989 /nfs/dbraw/zinc/25/39/89/1127253989.db2.gz KSBKUYMITYQPBU-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN CSc1cccc(F)c1CNCc1ccccc1 ZINC000352943848 1127253333 /nfs/dbraw/zinc/25/33/33/1127253333.db2.gz GMMSGMCKMBLBGX-UHFFFAOYSA-N 0 1 261.365 3.837 20 0 CHADMN Cn1ccnc1[C@@H](NCc1csc2ccccc12)C1CC1 ZINC000353015913 1127257503 /nfs/dbraw/zinc/25/75/03/1127257503.db2.gz HRQKJGASDMDSAY-INIZCTEOSA-N 0 1 297.427 3.876 20 0 CHADMN CC(C)Cc1ccc(CN[C@@H](c2nccn2C)C2CC2)cc1 ZINC000353013747 1127257613 /nfs/dbraw/zinc/25/76/13/1127257613.db2.gz BDXLNSHIDCQVGA-GOSISDBHSA-N 0 1 297.446 3.860 20 0 CHADMN CCc1nocc1CN1CCC(c2ccsc2)CC1 ZINC000352957335 1127254327 /nfs/dbraw/zinc/25/43/27/1127254327.db2.gz NPKYVGJXOVBPAK-UHFFFAOYSA-N 0 1 276.405 3.678 20 0 CHADMN Cc1ccc(C[N@@H+](C)Cc2c(Cl)cccc2C(=O)[O-])o1 ZINC000572967437 1127260876 /nfs/dbraw/zinc/26/08/76/1127260876.db2.gz FOYHYAILVDEUCO-UHFFFAOYSA-N 0 1 293.750 3.572 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2c(Cl)cccc2C(=O)[O-])o1 ZINC000572967437 1127260879 /nfs/dbraw/zinc/26/08/79/1127260879.db2.gz FOYHYAILVDEUCO-UHFFFAOYSA-N 0 1 293.750 3.572 20 0 CHADMN COC(=O)c1coc(C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2)c1 ZINC000353227657 1127264870 /nfs/dbraw/zinc/26/48/70/1127264870.db2.gz IKTREDNIZXRFMQ-DYVFJYSZSA-N 0 1 299.370 3.649 20 0 CHADMN Clc1ccccc1-c1cccc([C@H]2COCCN2)c1 ZINC000629691337 1127265112 /nfs/dbraw/zinc/26/51/12/1127265112.db2.gz UPMIIILYEKJTNA-MRXNPFEDSA-N 0 1 273.763 3.668 20 0 CHADMN COC(=O)Nc1cccc(CN[C@@H](C)c2ccc(C)o2)c1 ZINC000286378335 1127266118 /nfs/dbraw/zinc/26/61/18/1127266118.db2.gz AMWYGKBUGODXIT-LBPRGKRZSA-N 0 1 288.347 3.617 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1ncc(CSC)s1 ZINC000353516287 1127269428 /nfs/dbraw/zinc/26/94/28/1127269428.db2.gz GOGSRBPEROCFPL-WDEREUQCSA-N 0 1 270.467 3.769 20 0 CHADMN CCc1nnc(CN2CCC[C@H](c3ccc(CC)cc3)C2)o1 ZINC000286542339 1127268367 /nfs/dbraw/zinc/26/83/67/1127268367.db2.gz RZMRINSSHTUZOI-INIZCTEOSA-N 0 1 299.418 3.574 20 0 CHADMN COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2C2CC2)c1Cl ZINC000590690501 1127268449 /nfs/dbraw/zinc/26/84/49/1127268449.db2.gz KKZPQELYVAMGHJ-CQSZACIVSA-N 0 1 293.794 3.501 20 0 CHADMN CN(Cc1cccnc1Cl)C1CCC(F)(F)CC1 ZINC000286677854 1127271168 /nfs/dbraw/zinc/27/11/68/1127271168.db2.gz CCALPSLVMGQBOK-UHFFFAOYSA-N 0 1 274.742 3.745 20 0 CHADMN C[N@H+](Cc1cc(Cl)c([O-])cc1F)C[C@H]1CC1(C)C ZINC001238150381 1131175182 /nfs/dbraw/zinc/17/51/82/1131175182.db2.gz SQOOGBSCGGXWBF-SNVBAGLBSA-N 0 1 271.763 3.663 20 0 CHADMN Cc1sccc1CN1Cc2ccccc2O[C@@H](C)C1 ZINC000353592433 1127271529 /nfs/dbraw/zinc/27/15/29/1127271529.db2.gz JTAVYKBFIJNXJI-LBPRGKRZSA-N 0 1 273.401 3.840 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cccc(C)n2)c1 ZINC000353747605 1127274053 /nfs/dbraw/zinc/27/40/53/1127274053.db2.gz PDORDQNTFFAGMW-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1C)[C@@H](C)CC ZINC001238134465 1131175177 /nfs/dbraw/zinc/17/51/77/1131175177.db2.gz FPEOGNHNLLEFEI-ZDUSSCGKSA-N 0 1 263.381 3.704 20 0 CHADMN OCC[C@H](NCc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000286973124 1127277726 /nfs/dbraw/zinc/27/77/26/1127277726.db2.gz ODRJFGDQHOYZMC-INIZCTEOSA-N 0 1 293.769 3.692 20 0 CHADMN CCCOc1c(CN(C)CCSC)cccc1OCC ZINC000353920043 1127278837 /nfs/dbraw/zinc/27/88/37/1127278837.db2.gz LELRLIYIUUVWBD-UHFFFAOYSA-N 0 1 297.464 3.669 20 0 CHADMN CCOC(=O)c1coc(CN[C@@H](c2ccccc2)C2CC2)c1 ZINC000353930959 1127279708 /nfs/dbraw/zinc/27/97/08/1127279708.db2.gz PFORXBRFGICGDX-KRWDZBQOSA-N 0 1 299.370 3.697 20 0 CHADMN CCn1cc(CN[C@@H](C)c2ccc(SC)c(F)c2)cn1 ZINC000353962258 1127281404 /nfs/dbraw/zinc/28/14/04/1127281404.db2.gz WPGLASBHBDLFPQ-NSHDSACASA-N 0 1 293.411 3.615 20 0 CHADMN Clc1cccc([C@H]2CC[N@@H+](Cc3ccccn3)C2)c1 ZINC000354011450 1127285013 /nfs/dbraw/zinc/28/50/13/1127285013.db2.gz SFAAGNPGZUNEQP-AWEZNQCLSA-N 0 1 272.779 3.725 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1nc(-c2ccc3c(c2)CCC3)no1 ZINC000354031628 1127286198 /nfs/dbraw/zinc/28/61/98/1127286198.db2.gz MCPFRIKBCOTQNM-CHWSQXEVSA-N 0 1 297.402 3.598 20 0 CHADMN CSC[C@H]1CCCN1Cc1ccc(Cl)c(F)c1 ZINC000354078244 1127290735 /nfs/dbraw/zinc/29/07/35/1127290735.db2.gz PEZKGIQYMFIKGY-LLVKDONJSA-N 0 1 273.804 3.807 20 0 CHADMN CC[C@]1(C)CCN(Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354077847 1127290326 /nfs/dbraw/zinc/29/03/26/1127290326.db2.gz JKAFZRHRMGPRRK-DZGCQCFKSA-N 0 1 280.437 3.617 20 0 CHADMN CC[C@@]1(C)CCN(Cc2csc(C(C)C)n2)C1 ZINC000354088309 1127291284 /nfs/dbraw/zinc/29/12/84/1127291284.db2.gz NXYFTUVCAYMTQZ-AWEZNQCLSA-N 0 1 252.427 3.889 20 0 CHADMN CSC[C@@H]1CCCN1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000354096652 1127292179 /nfs/dbraw/zinc/29/21/79/1127292179.db2.gz KKHGSSICRFLINE-RYUDHWBXSA-N 0 1 296.505 3.595 20 0 CHADMN COCCN(Cc1cc(C)c(Cl)cc1F)C(C)C ZINC001238307240 1131189698 /nfs/dbraw/zinc/18/96/98/1131189698.db2.gz JFOUHSMTFGFFQE-UHFFFAOYSA-N 0 1 273.779 3.644 20 0 CHADMN COCC1CCN(Cc2cc(C)c(Cl)cc2F)CC1 ZINC001238297767 1131188445 /nfs/dbraw/zinc/18/84/45/1131188445.db2.gz CCIJVWPKLLYMKT-UHFFFAOYSA-N 0 1 285.790 3.646 20 0 CHADMN Cc1cc(CN[C@H](CCC(C)C)c2ccoc2)n(C)n1 ZINC000287359938 1127301710 /nfs/dbraw/zinc/30/17/10/1127301710.db2.gz HFSKVEJSEHAYGT-MRXNPFEDSA-N 0 1 275.396 3.589 20 0 CHADMN CCCC1CCC(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC000629771252 1127306350 /nfs/dbraw/zinc/30/63/50/1127306350.db2.gz GPYPXIWDMLXKKZ-SLTXQBBLSA-N 0 1 281.440 3.636 20 0 CHADMN Cl/C=C/CN1CCC(Oc2ccccc2Cl)CC1 ZINC000157365374 1127306495 /nfs/dbraw/zinc/30/64/95/1127306495.db2.gz KTMGJVIBNLZCMI-FPYGCLRLSA-N 0 1 286.202 3.936 20 0 CHADMN CC(C)Oc1ccc(CN2CCC[C@H](CF)C2)c(F)c1 ZINC001238451972 1131202146 /nfs/dbraw/zinc/20/21/46/1131202146.db2.gz QGDMIHSGSDYANW-CYBMUJFWSA-N 0 1 283.362 3.794 20 0 CHADMN CC(C)Oc1cc(CN2CCC[C@@H]3C[C@@H]32)ccc1F ZINC001238465668 1131203198 /nfs/dbraw/zinc/20/31/98/1131203198.db2.gz WHIBRYHNSPEMKA-HIFRSBDPSA-N 0 1 263.356 3.597 20 0 CHADMN Cc1noc(C)c1CN[C@@H](C)c1c(C)cccc1C ZINC000355030876 1127316594 /nfs/dbraw/zinc/31/65/94/1127316594.db2.gz DUMJBBRIOJCTSR-ZDUSSCGKSA-N 0 1 258.365 3.759 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Br)cn2)C[C@H](C)C1 ZINC000355114465 1127317730 /nfs/dbraw/zinc/31/77/30/1127317730.db2.gz PEMZVMPQDHVSNV-NWDGAFQWSA-N 0 1 297.240 3.712 20 0 CHADMN COc1ccsc1CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000355211511 1127324594 /nfs/dbraw/zinc/32/45/94/1127324594.db2.gz COHUEFSVYBNTLR-BDAKNGLRSA-N 0 1 279.327 3.529 20 0 CHADMN COc1ccsc1CN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000355211513 1127325080 /nfs/dbraw/zinc/32/50/80/1127325080.db2.gz COHUEFSVYBNTLR-DTWKUNHWSA-N 0 1 279.327 3.529 20 0 CHADMN CS[C@H]1CCCCN(Cc2cccc(F)c2F)C1 ZINC000355210797 1127325409 /nfs/dbraw/zinc/32/54/09/1127325409.db2.gz LYAKZGAMCAHVQV-LBPRGKRZSA-N 0 1 271.376 3.682 20 0 CHADMN CS[C@H]1CCCCN(Cc2cc(F)ccc2F)C1 ZINC000355221437 1127325956 /nfs/dbraw/zinc/32/59/56/1127325956.db2.gz LRJHQFIFECNYOD-ZDUSSCGKSA-N 0 1 271.376 3.682 20 0 CHADMN C[C@@H](CN1CC=CCC1)c1cccc(Br)c1 ZINC000679361226 1127328373 /nfs/dbraw/zinc/32/83/73/1127328373.db2.gz YHRABFDQOQPSTF-LBPRGKRZSA-N 0 1 280.209 3.815 20 0 CHADMN Cc1nc([C@@H]2CCCN2C[C@@H](O)CC2CCCC2)cs1 ZINC000355260139 1127329333 /nfs/dbraw/zinc/32/93/33/1127329333.db2.gz AIOIMACGHYLHFX-HOCLYGCPSA-N 0 1 294.464 3.530 20 0 CHADMN COc1ccsc1CNCc1ccc2ncccc2c1 ZINC000355284646 1127330720 /nfs/dbraw/zinc/33/07/20/1127330720.db2.gz CYGMWAHLCXSHNN-UHFFFAOYSA-N 0 1 284.384 3.595 20 0 CHADMN C[C@@]1(F)CCN(Cc2cccc(-c3cccnc3)c2)C1 ZINC000355358691 1127335294 /nfs/dbraw/zinc/33/52/94/1127335294.db2.gz YYKJCTZBXKDVBF-QGZVFWFLSA-N 0 1 270.351 3.683 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@H](C)CC(C)(C)C)cc2[nH]1 ZINC000355369663 1127336351 /nfs/dbraw/zinc/33/63/51/1127336351.db2.gz AZYUTBULDGEZFQ-SNVBAGLBSA-N 0 1 273.380 3.882 20 0 CHADMN CCc1cnc(CN2CC[C@H](C)C(C)(C)C2)s1 ZINC000355499957 1127345399 /nfs/dbraw/zinc/34/53/99/1127345399.db2.gz CDGZKSHUAVWZGS-NSHDSACASA-N 0 1 252.427 3.574 20 0 CHADMN C[C@@H](CF)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000288546006 1127346502 /nfs/dbraw/zinc/34/65/02/1127346502.db2.gz XFXDWFDMNPEGHZ-ZETCQYMHSA-N 0 1 269.669 3.806 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000592442530 1127348493 /nfs/dbraw/zinc/34/84/93/1127348493.db2.gz GTYKEBQTYNIJPP-CHWSQXEVSA-N 0 1 299.418 3.734 20 0 CHADMN CO[C@@H](C)c1nc(CN2CCC[C@@H]2CC(C)C)cs1 ZINC000355551516 1127348881 /nfs/dbraw/zinc/34/88/81/1127348881.db2.gz IQYAMYATPNWVDV-GXTWGEPZSA-N 0 1 282.453 3.861 20 0 CHADMN Cc1occc1CNCc1ccc(OCC(C)C)cc1 ZINC000592456468 1127350810 /nfs/dbraw/zinc/35/08/10/1127350810.db2.gz WJOCFTVNVIWHNU-UHFFFAOYSA-N 0 1 273.376 3.913 20 0 CHADMN Fc1ccccc1CCCNCc1ncc(Cl)s1 ZINC000355589907 1127351352 /nfs/dbraw/zinc/35/13/52/1127351352.db2.gz YOKRGINNWUFVGA-UHFFFAOYSA-N 0 1 284.787 3.658 20 0 CHADMN Cc1ccncc1CN(C)Cc1ccc(F)c2cccnc12 ZINC000355587469 1127351508 /nfs/dbraw/zinc/35/15/08/1127351508.db2.gz WFCQYLJWXYNVSF-UHFFFAOYSA-N 0 1 295.361 3.709 20 0 CHADMN CC[N@@H+](CCSC)Cc1cnc(C(C)(C)C)s1 ZINC000592528789 1127353838 /nfs/dbraw/zinc/35/38/38/1127353838.db2.gz GFCBHZMVDNNBTM-UHFFFAOYSA-N 0 1 272.483 3.626 20 0 CHADMN CCN(CCSC)Cc1cnc(C(C)(C)C)s1 ZINC000592528789 1127353842 /nfs/dbraw/zinc/35/38/42/1127353842.db2.gz GFCBHZMVDNNBTM-UHFFFAOYSA-N 0 1 272.483 3.626 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1ccnn1CC(C)C ZINC000592503858 1127352782 /nfs/dbraw/zinc/35/27/82/1127352782.db2.gz AYABNRXVBDAMLT-AWEZNQCLSA-N 0 1 283.485 3.503 20 0 CHADMN Cc1ccc(CN[C@H]2c3ccccc3O[C@@H]2C)s1 ZINC000288701334 1127357756 /nfs/dbraw/zinc/35/77/56/1127357756.db2.gz YMZOKWOQXRJFIK-IAQYHMDHSA-N 0 1 259.374 3.668 20 0 CHADMN COc1cccc2c1CCN(c1ccnc(C)c1Cl)C2 ZINC000355675780 1127358171 /nfs/dbraw/zinc/35/81/71/1127358171.db2.gz BAKOIHQXYMDEGO-UHFFFAOYSA-N 0 1 288.778 3.615 20 0 CHADMN CC(C)c1cnc(CN[C@@H](CO)CCC(C)(C)C)s1 ZINC000355675806 1127358333 /nfs/dbraw/zinc/35/83/33/1127358333.db2.gz FLNQCMKCIRJBPG-GFCCVEGCSA-N 0 1 284.469 3.543 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2noc(-c3ccccc3)n2)C1 ZINC000355778976 1127364535 /nfs/dbraw/zinc/36/45/35/1127364535.db2.gz GAYZGHQNUNOSOT-MGPQQGTHSA-N 0 1 285.391 3.603 20 0 CHADMN FC(F)(F)CCCCN1CCCc2occc2C1 ZINC000288775808 1127362393 /nfs/dbraw/zinc/36/23/93/1127362393.db2.gz JZNNNAGGMBRCGK-UHFFFAOYSA-N 0 1 261.287 3.760 20 0 CHADMN COCC[C@@H](NCc1ccc(C)c(C)c1)c1ccco1 ZINC000355763011 1127363303 /nfs/dbraw/zinc/36/33/03/1127363303.db2.gz FCJNWXQIJVYWPU-MRXNPFEDSA-N 0 1 273.376 3.764 20 0 CHADMN COC(=O)c1ccc(CNC2(c3ccccc3C)CCC2)o1 ZINC000593040323 1127368839 /nfs/dbraw/zinc/36/88/39/1127368839.db2.gz QTYFFOXLBCODQP-UHFFFAOYSA-N 0 1 299.370 3.544 20 0 CHADMN CCCN(Cc1cn(C(C)C)nn1)[C@@H]1CCc2ccccc21 ZINC000288968400 1127369093 /nfs/dbraw/zinc/36/90/93/1127369093.db2.gz BMQKFZIPCWSWQW-GOSISDBHSA-N 0 1 298.434 3.759 20 0 CHADMN Cc1ccsc1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000289074494 1127372524 /nfs/dbraw/zinc/37/25/24/1127372524.db2.gz ALRZWZUHOBGDGC-CYBMUJFWSA-N 0 1 261.394 3.507 20 0 CHADMN CSC1(CN[C@@H](c2nccs2)c2ccccc2)CC1 ZINC000289175597 1127376225 /nfs/dbraw/zinc/37/62/25/1127376225.db2.gz FNMVHAPKYGNTDY-CYBMUJFWSA-N 0 1 290.457 3.718 20 0 CHADMN COc1ccc2c(c1F)CC[C@@H]2NCc1ccccc1F ZINC000289339002 1127382175 /nfs/dbraw/zinc/38/21/75/1127382175.db2.gz WRGIJFHPZHCNTL-HNNXBMFYSA-N 0 1 289.325 3.751 20 0 CHADMN Cc1nc([C@@H](C)NCCOCC2CCCC2)c(C)s1 ZINC000313278990 1127397731 /nfs/dbraw/zinc/39/77/31/1127397731.db2.gz HJFGKQVVCYXIBS-LLVKDONJSA-N 0 1 282.453 3.617 20 0 CHADMN CSc1ccccc1CN(C)[C@@H](CO)c1ccccc1 ZINC000358043562 1127398266 /nfs/dbraw/zinc/39/82/66/1127398266.db2.gz MPFJZMJYQBTIOR-INIZCTEOSA-N 0 1 287.428 3.574 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@@H](CO)c1cccc(F)c1 ZINC000358153569 1127405225 /nfs/dbraw/zinc/40/52/25/1127405225.db2.gz JCIFPPMQAPPVRD-FZMZJTMJSA-N 0 1 279.380 3.580 20 0 CHADMN CC[C@@H](N[C@H](CO)c1cccc(F)c1)c1ccc(F)cc1 ZINC000358176276 1127406415 /nfs/dbraw/zinc/40/64/15/1127406415.db2.gz NLGIYXMDUSCYHP-IAGOWNOFSA-N 0 1 291.341 3.739 20 0 CHADMN CCCCn1cc(CNCc2cc(F)cc(F)c2)c(C)n1 ZINC000358506350 1127424296 /nfs/dbraw/zinc/42/42/96/1127424296.db2.gz JIJUPQXQVDCFPA-UHFFFAOYSA-N 0 1 293.361 3.560 20 0 CHADMN Cc1nnc(CN2CCC[C@@H]2CC2CCCCC2)s1 ZINC000358503644 1127424686 /nfs/dbraw/zinc/42/46/86/1127424686.db2.gz ZXDODZVJTRXILT-CQSZACIVSA-N 0 1 279.453 3.781 20 0 CHADMN CC[C@H](N[C@H]1CCc2cccnc21)c1ccccc1OC ZINC000226807889 1127426450 /nfs/dbraw/zinc/42/64/50/1127426450.db2.gz XWPYQQSIWCDBMZ-HOTGVXAUSA-N 0 1 282.387 3.818 20 0 CHADMN Clc1cccc(CN[C@@H]2CCc3cccnc32)c1 ZINC000226819129 1127426869 /nfs/dbraw/zinc/42/68/69/1127426869.db2.gz QNPUTLZJYNZXGJ-CQSZACIVSA-N 0 1 258.752 3.512 20 0 CHADMN CCn1c(C)nnc1CNC1(c2ccccc2)CCCCC1 ZINC000358607698 1127428850 /nfs/dbraw/zinc/42/88/50/1127428850.db2.gz GPEBAUYUYXALKM-UHFFFAOYSA-N 0 1 298.434 3.556 20 0 CHADMN CCc1nc(CSc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000358784804 1127434452 /nfs/dbraw/zinc/43/44/52/1127434452.db2.gz SZJOZSUQEDXXJD-UHFFFAOYSA-N 0 1 288.203 3.966 20 0 CHADMN Cc1nc2ccc(COc3cc(F)ccc3F)cc2[nH]1 ZINC000358854573 1127436478 /nfs/dbraw/zinc/43/64/78/1127436478.db2.gz PENFYSRSUDGAIV-UHFFFAOYSA-N 0 1 274.270 3.729 20 0 CHADMN CC(=O)c1ccc(OCc2ccc3nc(C)[nH]c3c2)cc1F ZINC000358854540 1127436594 /nfs/dbraw/zinc/43/65/94/1127436594.db2.gz OQRVJYGWFWLIFF-UHFFFAOYSA-N 0 1 298.317 3.792 20 0 CHADMN c1ccc2c(c1)CC[C@H](CSc1nc(C3CC3)n[nH]1)C2 ZINC000358866374 1127437185 /nfs/dbraw/zinc/43/71/85/1127437185.db2.gz BENNVRJNMILUHK-NSHDSACASA-N 0 1 285.416 3.579 20 0 CHADMN c1ccc2c(c1)CC[C@H](CSc1n[nH]c(C3CC3)n1)C2 ZINC000358866374 1127437187 /nfs/dbraw/zinc/43/71/87/1127437187.db2.gz BENNVRJNMILUHK-NSHDSACASA-N 0 1 285.416 3.579 20 0 CHADMN c1cc(-c2noc([C@@H]3CC[C@@H]4CCCC[C@H]4N3)n2)cs1 ZINC000227216224 1127460963 /nfs/dbraw/zinc/46/09/63/1127460963.db2.gz UECHZSXNCDLMLR-UHTWSYAYSA-N 0 1 289.404 3.781 20 0 CHADMN Cn1ncc2c1CCC[C@H]2Nc1ccnc2cc(F)ccc21 ZINC000359450795 1127463569 /nfs/dbraw/zinc/46/35/69/1127463569.db2.gz YDAKHXWKGYVBPR-CQSZACIVSA-N 0 1 296.349 3.597 20 0 CHADMN Cc1cccc2ncc(CNc3cc4c(cn3)CCCC4)n21 ZINC000359472134 1127464176 /nfs/dbraw/zinc/46/41/76/1127464176.db2.gz NMULKHAZMHZCMP-UHFFFAOYSA-N 0 1 292.386 3.529 20 0 CHADMN Clc1cnc(CNc2cc3c(cn2)CCCC3)s1 ZINC000359474023 1127464395 /nfs/dbraw/zinc/46/43/95/1127464395.db2.gz QSEGFMGQQXCIPZ-UHFFFAOYSA-N 0 1 279.796 3.682 20 0 CHADMN CCSCCN(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000595514164 1127464685 /nfs/dbraw/zinc/46/46/85/1127464685.db2.gz BASNOHZMBNITKB-SNVBAGLBSA-N 0 1 297.855 3.962 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)CN([C@@H]1C=CCCC1)CC3 ZINC000595571517 1127466418 /nfs/dbraw/zinc/46/64/18/1127466418.db2.gz XAJUSQUBORRLNM-CQSZACIVSA-N 0 1 266.388 3.943 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1cccc(C)n1)[C@H]2C ZINC000359544205 1127467256 /nfs/dbraw/zinc/46/72/56/1127467256.db2.gz VTLGQQCAFZYZRH-GJZGRUSLSA-N 0 1 296.414 3.906 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H]3CCC(C)(C)C3)ccc12 ZINC000359564680 1127467616 /nfs/dbraw/zinc/46/76/16/1127467616.db2.gz PJULDJSTMKDBFQ-NSHDSACASA-N 0 1 271.364 3.636 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(C(F)F)cc1 ZINC000359615776 1127470267 /nfs/dbraw/zinc/47/02/67/1127470267.db2.gz MCPKKLQLUUGRRL-SMDDNHRTSA-N 0 1 269.335 3.624 20 0 CHADMN COc1ccsc1CN[C@H]1CCCc2c(O)cccc21 ZINC000359826720 1127479872 /nfs/dbraw/zinc/47/98/72/1127479872.db2.gz AKQZJSUMPHJNLW-ZDUSSCGKSA-N 0 1 289.400 3.630 20 0 CHADMN Cc1cccc2nc(CNC(=O)c3ccoc3C(C)C)[nH]c21 ZINC000359996486 1127486286 /nfs/dbraw/zinc/48/62/86/1127486286.db2.gz WUKUUGIECPIRDR-UHFFFAOYSA-N 0 1 297.358 3.518 20 0 CHADMN CO[C@H](C)CN1CCCC[C@H]1c1ccc(F)cc1F ZINC000360027222 1127487113 /nfs/dbraw/zinc/48/71/13/1127487113.db2.gz GIBKXVHSWYLGBG-ABAIWWIYSA-N 0 1 269.335 3.527 20 0 CHADMN C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1Cc1cn(C)nc1Cl ZINC001308804378 1127487648 /nfs/dbraw/zinc/48/76/48/1127487648.db2.gz QQPCYLJHHCMHNQ-YPMHNXCESA-N 0 1 283.847 3.720 20 0 CHADMN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1cn(C)nc1Cl ZINC001308804378 1127487650 /nfs/dbraw/zinc/48/76/50/1127487650.db2.gz QQPCYLJHHCMHNQ-YPMHNXCESA-N 0 1 283.847 3.720 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC(CCCO)CC1 ZINC000360085404 1127489310 /nfs/dbraw/zinc/48/93/10/1127489310.db2.gz ASXVCKPQBYKBHP-GFCCVEGCSA-N 0 1 283.362 3.510 20 0 CHADMN c1cc2c(s1)CCN(Cc1ccc3c(c1)CCC3)C2 ZINC000360291832 1127494854 /nfs/dbraw/zinc/49/48/54/1127494854.db2.gz LHSNJEGQUMFTHK-UHFFFAOYSA-N 0 1 269.413 3.795 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2noc(-c3ccccc3)n2)[C@H](C)C1 ZINC000360336660 1127496830 /nfs/dbraw/zinc/49/68/30/1127496830.db2.gz KPYISWFRDVBZHY-UMVBOHGHSA-N 0 1 285.391 3.651 20 0 CHADMN Cc1cccc(C(=O)Nc2cc3cn[nH]c3cc2C)c1F ZINC000360428822 1127498622 /nfs/dbraw/zinc/49/86/22/1127498622.db2.gz PSLLBRGAYVMVHT-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN c1ccc2c(c1)[nH]c1c2CN(CCCc2ccncc2)CC1 ZINC000360474047 1127500615 /nfs/dbraw/zinc/50/06/15/1127500615.db2.gz MSVWMKCIKCPVBC-UHFFFAOYSA-N 0 1 291.398 3.554 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2nc(C3CC3)no2)CC12CCCCC2 ZINC000360610151 1127502693 /nfs/dbraw/zinc/50/26/93/1127502693.db2.gz IDTRJAFBXLPYGX-ZDUSSCGKSA-N 0 1 289.423 3.739 20 0 CHADMN C[C@H]1CCN(Cc2nc(C3CC3)no2)CC12CCCCC2 ZINC000360610151 1127502695 /nfs/dbraw/zinc/50/26/95/1127502695.db2.gz IDTRJAFBXLPYGX-ZDUSSCGKSA-N 0 1 289.423 3.739 20 0 CHADMN CCc1noc(C)c1CN[C@H]1CCCOc2ccccc21 ZINC000293621145 1127509158 /nfs/dbraw/zinc/50/91/58/1127509158.db2.gz FUKRVRYBCUKZOO-INIZCTEOSA-N 0 1 286.375 3.549 20 0 CHADMN COc1cc(C)nc(CNCc2ccc(C(F)F)cc2)c1 ZINC000360817628 1127512909 /nfs/dbraw/zinc/51/29/09/1127512909.db2.gz NFGOAHJSHMMUBX-UHFFFAOYSA-N 0 1 292.329 3.626 20 0 CHADMN CCOc1ncccc1CN[C@@H](c1cccnc1)C1CCC1 ZINC000360837788 1127514655 /nfs/dbraw/zinc/51/46/55/1127514655.db2.gz RJTZSWYSDCGQGZ-QGZVFWFLSA-N 0 1 297.402 3.506 20 0 CHADMN [O-]c1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)ccc1Cl ZINC001231733684 1127518671 /nfs/dbraw/zinc/51/86/71/1127518671.db2.gz CRVWXQGDPZSMLS-TZMCWYRMSA-N 0 1 265.784 3.810 20 0 CHADMN [O-]c1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)ccc1Cl ZINC001231733684 1127518673 /nfs/dbraw/zinc/51/86/73/1127518673.db2.gz CRVWXQGDPZSMLS-TZMCWYRMSA-N 0 1 265.784 3.810 20 0 CHADMN C[C@H](CSCCF)N[C@@H](CF)c1ccc(F)cc1 ZINC000601319060 1127521332 /nfs/dbraw/zinc/52/13/32/1127521332.db2.gz VSIVDYJOXXLJBV-MFKMUULPSA-N 0 1 277.355 3.517 20 0 CHADMN Cc1ccc([C@H](C)NCc2cn(C)nc2C(F)F)cc1F ZINC000360951901 1127523200 /nfs/dbraw/zinc/52/32/00/1127523200.db2.gz ULXOCCXQLODDCT-JTQLQIEISA-N 0 1 297.324 3.656 20 0 CHADMN CCc1nc(CCN[C@H](C)c2csc(C)n2)sc1C ZINC000361003714 1127528308 /nfs/dbraw/zinc/52/83/08/1127528308.db2.gz PKBVTFNSVNYUBJ-SECBINFHSA-N 0 1 295.477 3.672 20 0 CHADMN COc1cc([C@H](C)N[C@H]2CCCc3ccc(O)cc32)ccn1 ZINC000361001328 1127528547 /nfs/dbraw/zinc/52/85/47/1127528547.db2.gz FEPUJNIWGUTMPL-SJCJKPOMSA-N 0 1 298.386 3.524 20 0 CHADMN Cc1cc(N(C)CC(C)C)nc([C@H](C)N(C)CC(C)C)n1 ZINC000361029146 1127531724 /nfs/dbraw/zinc/53/17/24/1127531724.db2.gz HWAXHUYQBVWRRQ-HNNXBMFYSA-N 0 1 292.471 3.526 20 0 CHADMN CCO[C@@H]1C[C@H](Nc2nccc(C)c2C2CC2)[C@H]1SC ZINC000597190586 1127531936 /nfs/dbraw/zinc/53/19/36/1127531936.db2.gz FATVKDILSOANFI-GZBFAFLISA-N 0 1 292.448 3.588 20 0 CHADMN CCCN(Cc1cncs1)[C@@H]1CCCc2cccnc21 ZINC000361039227 1127532160 /nfs/dbraw/zinc/53/21/60/1127532160.db2.gz XCHKXUIZCQPNGN-OAHLLOKOSA-N 0 1 287.432 3.828 20 0 CHADMN CCCN(Cc1ccco1)[C@H]1CCCc2cccnc21 ZINC000361038354 1127532276 /nfs/dbraw/zinc/53/22/76/1127532276.db2.gz PNAXUFQZKJBJLI-INIZCTEOSA-N 0 1 270.376 3.964 20 0 CHADMN Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CCC2)o1 ZINC000293947255 1127535515 /nfs/dbraw/zinc/53/55/15/1127535515.db2.gz OSSPFDWRCLOWDO-QGZVFWFLSA-N 0 1 285.387 3.582 20 0 CHADMN CC1=C(C)CN(Cc2cnc(C3CCC3)s2)CC1 ZINC000361113977 1127539604 /nfs/dbraw/zinc/53/96/04/1127539604.db2.gz PPFJFTXUTICOHW-UHFFFAOYSA-N 0 1 262.422 3.953 20 0 CHADMN Cc1cc(N(C)CC[C@H](C)O)c2cc(Cl)cc(C)c2n1 ZINC000361120873 1127540002 /nfs/dbraw/zinc/54/00/02/1127540002.db2.gz DRCRSIJUOUCOQZ-LBPRGKRZSA-N 0 1 292.810 3.712 20 0 CHADMN c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)CCO3)CC21CC1 ZINC000361138754 1127540923 /nfs/dbraw/zinc/54/09/23/1127540923.db2.gz CIHZARZRZXLVNG-UHFFFAOYSA-N 0 1 291.394 3.669 20 0 CHADMN c1ccc2c(c1)CN(Cc1ccc3c(c1)CCO3)CC21CC1 ZINC000361138754 1127540925 /nfs/dbraw/zinc/54/09/25/1127540925.db2.gz CIHZARZRZXLVNG-UHFFFAOYSA-N 0 1 291.394 3.669 20 0 CHADMN C[C@@H](Nc1cc2c(cn1)CCCC2)c1cncc(F)c1 ZINC000361175060 1127543713 /nfs/dbraw/zinc/54/37/13/1127543713.db2.gz CHFYDDOBKROMNT-LLVKDONJSA-N 0 1 271.339 3.668 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)CC[C@H](C)CC)c1 ZINC000361172296 1127544212 /nfs/dbraw/zinc/54/42/12/1127544212.db2.gz QUEGEFOITGEQJA-LLVKDONJSA-N 0 1 277.364 3.750 20 0 CHADMN C[C@H](Nc1cc2c(cn1)CCCC2)c1ccc(F)cn1 ZINC000361180830 1127544493 /nfs/dbraw/zinc/54/44/93/1127544493.db2.gz UKZAVUGJZXQMHP-NSHDSACASA-N 0 1 271.339 3.668 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1cccc(O)c1)c1ccccn1 ZINC000669614487 1127545969 /nfs/dbraw/zinc/54/59/69/1127545969.db2.gz HUVQBNXVBICIGK-SUMWQHHRSA-N 0 1 270.376 3.979 20 0 CHADMN CCC[C@H](N[C@H](C)c1cccc(O)c1)c1ccccn1 ZINC000669614485 1127546073 /nfs/dbraw/zinc/54/60/73/1127546073.db2.gz HUVQBNXVBICIGK-DYVFJYSZSA-N 0 1 270.376 3.979 20 0 CHADMN CC(C)n1cc([C@@H](C)Nc2cc3c(cn2)CCCC3)cn1 ZINC000361189654 1127546152 /nfs/dbraw/zinc/54/61/52/1127546152.db2.gz VWOPXLRCJQAKOH-CYBMUJFWSA-N 0 1 284.407 3.911 20 0 CHADMN Fc1ccc(CN(Cc2c[nH]cn2)C2CCCCC2)cc1 ZINC000361268924 1127551972 /nfs/dbraw/zinc/55/19/72/1127551972.db2.gz XYFUURHVRBKWFO-UHFFFAOYSA-N 0 1 287.382 3.884 20 0 CHADMN CC[C@@H]1CCCN(Cc2cncc(C(F)(F)F)c2)C1 ZINC000361287199 1127553266 /nfs/dbraw/zinc/55/32/66/1127553266.db2.gz ISAOGNWEULPXLG-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN C[C@H]1CN(Cc2cncc(C(F)(F)F)c2)C(C)(C)C1 ZINC000361318738 1127556061 /nfs/dbraw/zinc/55/60/61/1127556061.db2.gz OZNLPLFFEKBDKE-SNVBAGLBSA-N 0 1 272.314 3.721 20 0 CHADMN Cc1ccncc1CN(C)[C@@H]1CCc2ccc(F)cc21 ZINC000361423700 1127562293 /nfs/dbraw/zinc/56/22/93/1127562293.db2.gz DACVFGDCEHQJLK-QGZVFWFLSA-N 0 1 270.351 3.648 20 0 CHADMN CCCCc1noc([C@H](C)N(CC)CC2CCC2)n1 ZINC000361483292 1127566360 /nfs/dbraw/zinc/56/63/60/1127566360.db2.gz CXBBTIDWYJJXDD-LBPRGKRZSA-N 0 1 265.401 3.595 20 0 CHADMN CCCCc1noc([C@@H](C)N(CC)CC2CCC2)n1 ZINC000361483291 1127566368 /nfs/dbraw/zinc/56/63/68/1127566368.db2.gz CXBBTIDWYJJXDD-GFCCVEGCSA-N 0 1 265.401 3.595 20 0 CHADMN Cc1ccc2ccccc2c1CN(C)Cc1cnccn1 ZINC000361518845 1127568873 /nfs/dbraw/zinc/56/88/73/1127568873.db2.gz LKEZNBUOPBOTPH-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN CN(c1nc(CN2CCC[C@@H]3CCC[C@H]32)cs1)C1CC1 ZINC000361520392 1127569462 /nfs/dbraw/zinc/56/94/62/1127569462.db2.gz TYJQGCCEJCOQBS-SWLSCSKDSA-N 0 1 291.464 3.506 20 0 CHADMN Clc1sccc1CN1CCC[C@]2(CCCOC2)C1 ZINC000361548793 1127570953 /nfs/dbraw/zinc/57/09/53/1127570953.db2.gz LFTVCJRQTZDDBK-AWEZNQCLSA-N 0 1 285.840 3.794 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCCc3ccc(C)cc32)nn1C ZINC000294420533 1127573038 /nfs/dbraw/zinc/57/30/38/1127573038.db2.gz UHJOKZYTTZJJHG-PBHICJAKSA-N 0 1 283.419 3.765 20 0 CHADMN Cc1noc([C@H](C)N[C@H]2CCC[C@H]2CCC(C)C)n1 ZINC000361607082 1127576555 /nfs/dbraw/zinc/57/65/55/1127576555.db2.gz BMPKACMADPGFGN-UBHSHLNASA-N 0 1 265.401 3.634 20 0 CHADMN COCCN(Cc1c(F)cccc1F)[C@H]1CC[C@@H](C)C1 ZINC000361630728 1127577981 /nfs/dbraw/zinc/57/79/81/1127577981.db2.gz OAVQAXOWAJUIMB-OLZOCXBDSA-N 0 1 283.362 3.602 20 0 CHADMN COc1cccc(Cl)c1CN1CCSCC[C@H]1C ZINC000361641976 1127578438 /nfs/dbraw/zinc/57/84/38/1127578438.db2.gz FPCLZCAKHDAEAT-LLVKDONJSA-N 0 1 285.840 3.676 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cnccc2OC)s1 ZINC000294523573 1127579831 /nfs/dbraw/zinc/57/98/31/1127579831.db2.gz ZIZHWXHHBMWQQT-LLVKDONJSA-N 0 1 276.405 3.565 20 0 CHADMN CC1=CC[C@H](N[C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000294566492 1127583096 /nfs/dbraw/zinc/58/30/96/1127583096.db2.gz GDSZBUPMGBKPQV-ZBFHGGJFSA-N 0 1 297.402 3.810 20 0 CHADMN Cc1ccc([C@H]2CCC[C@@H]2N(C)Cc2ncccn2)cc1 ZINC000361829858 1127592140 /nfs/dbraw/zinc/59/21/40/1127592140.db2.gz IWISJFPCPRYYOM-SJORKVTESA-N 0 1 281.403 3.553 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1ccc(C)nc1C)C2 ZINC000361845422 1127594015 /nfs/dbraw/zinc/59/40/15/1127594015.db2.gz ZQCUIWUUQMEBEW-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccccc1)c1ccccc1F ZINC000361885016 1127597432 /nfs/dbraw/zinc/59/74/32/1127597432.db2.gz GVMRHUWPTONCLW-DYVFJYSZSA-N 0 1 273.351 3.600 20 0 CHADMN COc1ccsc1CN1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000294732047 1127595930 /nfs/dbraw/zinc/59/59/30/1127595930.db2.gz DIKJEKOFXLZAEM-ZJUUUORDSA-N 0 1 293.354 3.920 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@@H](CCO)c1ccccc1 ZINC000361879504 1127596192 /nfs/dbraw/zinc/59/61/92/1127596192.db2.gz HRHJPELTZSPGKY-QAPCUYQASA-N 0 1 299.414 3.860 20 0 CHADMN CS[C@@H]1CC[C@@H]1N[C@@H](C)c1c(F)cccc1F ZINC000361943938 1127600905 /nfs/dbraw/zinc/60/09/05/1127600905.db2.gz FANRZVIYBUEYLQ-KPXOXKRLSA-N 0 1 257.349 3.509 20 0 CHADMN Cc1cccc(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)n1 ZINC000361940737 1127600946 /nfs/dbraw/zinc/60/09/46/1127600946.db2.gz VIOHLLSMRIRDKQ-CYBMUJFWSA-N 0 1 286.341 3.800 20 0 CHADMN CSCc1ccc(CNCc2cc(C)ns2)cc1 ZINC000602656272 1127602933 /nfs/dbraw/zinc/60/29/33/1127602933.db2.gz ULZMFCNDBSZZIG-UHFFFAOYSA-N 0 1 278.446 3.604 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)o1 ZINC000294912614 1127607633 /nfs/dbraw/zinc/60/76/33/1127607633.db2.gz FCDHZHVUGRFZOC-MWLCHTKSSA-N 0 1 261.287 3.751 20 0 CHADMN CCCCC[C@@H](C)NCc1ncc(C(F)(F)F)cn1 ZINC000294969061 1127610665 /nfs/dbraw/zinc/61/06/65/1127610665.db2.gz IWTWGDPYOZLVSQ-SNVBAGLBSA-N 0 1 275.318 3.554 20 0 CHADMN CCSc1cccc(F)c1NC(=O)c1cncs1 ZINC000362191054 1127618111 /nfs/dbraw/zinc/61/81/11/1127618111.db2.gz SUZXCQPAZCTQKU-UHFFFAOYSA-N 0 1 282.365 3.647 20 0 CHADMN Cc1cc(CNCc2ccc(OCC3CC3)nc2)cs1 ZINC000294995568 1127612622 /nfs/dbraw/zinc/61/26/22/1127612622.db2.gz HYJHWKNXKRHGBD-UHFFFAOYSA-N 0 1 288.416 3.530 20 0 CHADMN CC/C=C/CNCc1csc(-c2ccsc2)n1 ZINC000295107889 1127620269 /nfs/dbraw/zinc/62/02/69/1127620269.db2.gz UOJRTVUKVFOSGB-ONEGZZNKSA-N 0 1 264.419 3.927 20 0 CHADMN C[C@@H](c1ccccc1)N(Cc1cnns1)CC1CCC1 ZINC000295115264 1127621138 /nfs/dbraw/zinc/62/11/38/1127621138.db2.gz VXENAZZNRIMXHD-ZDUSSCGKSA-N 0 1 287.432 3.901 20 0 CHADMN CN(Cc1cc(Cl)cs1)[C@H](CO)c1ccccc1 ZINC000295120306 1127621260 /nfs/dbraw/zinc/62/12/60/1127621260.db2.gz WKGOTOOQMORPGC-CQSZACIVSA-N 0 1 281.808 3.567 20 0 CHADMN CC1=C[C@H](C)C[C@H](CNCc2ncc(C(F)(F)F)cn2)C1 ZINC000295131246 1127621894 /nfs/dbraw/zinc/62/18/94/1127621894.db2.gz YLGBXOZAMWIBGN-JQWIXIFHSA-N 0 1 299.340 3.577 20 0 CHADMN C[C@H](CSC(C)(C)C)NCc1cc(F)cnc1Cl ZINC000295124842 1127621911 /nfs/dbraw/zinc/62/19/11/1127621911.db2.gz NTOBFNTZYMFQON-SECBINFHSA-N 0 1 290.835 3.884 20 0 CHADMN CSC1CCN([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000602923724 1127622438 /nfs/dbraw/zinc/62/24/38/1127622438.db2.gz VKNIJBAYMABJIP-NSHDSACASA-N 0 1 276.405 3.716 20 0 CHADMN CSC1CCN(Cc2nc3ccccc3s2)CC1 ZINC000602922354 1127622497 /nfs/dbraw/zinc/62/24/97/1127622497.db2.gz SKQIGGXNRQZFIS-UHFFFAOYSA-N 0 1 278.446 3.624 20 0 CHADMN Clc1ccc(CCN2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000362278558 1127624266 /nfs/dbraw/zinc/62/42/66/1127624266.db2.gz OBAGEUHIMVAVDH-HNNXBMFYSA-N 0 1 289.810 3.833 20 0 CHADMN Clc1ccc(CCN2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000362278560 1127624306 /nfs/dbraw/zinc/62/43/06/1127624306.db2.gz OBAGEUHIMVAVDH-OAHLLOKOSA-N 0 1 289.810 3.833 20 0 CHADMN COc1ccnc(Cl)c1CN1CCC[C@H](C)[C@H](C)C1 ZINC001232152850 1127625859 /nfs/dbraw/zinc/62/58/59/1127625859.db2.gz UJOUHKYGCOCLEL-NWDGAFQWSA-N 0 1 282.815 3.612 20 0 CHADMN C[C@@H](N[C@@H]1CCOC1(C)C)c1ncc(-c2ccccc2)o1 ZINC000295185622 1127626249 /nfs/dbraw/zinc/62/62/49/1127626249.db2.gz IREUBINTDAZYTC-IUODEOHRSA-N 0 1 286.375 3.560 20 0 CHADMN CC(C)SCCN[C@@H](CF)c1ccc(F)cc1 ZINC000603017731 1127626523 /nfs/dbraw/zinc/62/65/23/1127626523.db2.gz JUPOBNNKDKIMQO-ZDUSSCGKSA-N 0 1 259.365 3.568 20 0 CHADMN COCCSCCCN[C@@H](C(F)F)C1CCCCC1 ZINC000598650282 1127630595 /nfs/dbraw/zinc/63/05/95/1127630595.db2.gz MBRWMKJIWZZPLC-CYBMUJFWSA-N 0 1 295.439 3.560 20 0 CHADMN Cc1nocc1CN1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000295274551 1127631602 /nfs/dbraw/zinc/63/16/02/1127631602.db2.gz HZPAMGRZTVLSFJ-BDJLRTHQSA-N 0 1 274.339 3.705 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2cc(-c3ccco3)on2)C1 ZINC000362385452 1127631683 /nfs/dbraw/zinc/63/16/83/1127631683.db2.gz ZMOSZCGYUILERR-INIZCTEOSA-N 0 1 274.364 3.947 20 0 CHADMN CC[C@@]1(C)CCCN([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000362389614 1127632359 /nfs/dbraw/zinc/63/23/59/1127632359.db2.gz BMCLUESCMAIQQH-YOEHRIQHSA-N 0 1 274.408 3.526 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000362436444 1127635639 /nfs/dbraw/zinc/63/56/39/1127635639.db2.gz GMOAUUBBCLCQMS-UONOGXRCSA-N 0 1 287.382 3.632 20 0 CHADMN CCS[C@@H]1CCC[C@@H]1NCc1csc(Cl)n1 ZINC000295353424 1127637170 /nfs/dbraw/zinc/63/71/70/1127637170.db2.gz QZQZRUXLZCZLJB-VHSXEESVSA-N 0 1 276.858 3.560 20 0 CHADMN CCC1(CC)CCN(Cc2nc(C)cs2)CC1 ZINC000362503743 1127640280 /nfs/dbraw/zinc/64/02/80/1127640280.db2.gz AGFGGGZKNKDJFC-UHFFFAOYSA-N 0 1 252.427 3.854 20 0 CHADMN Cc1cccnc1CN[C@H](C)c1ccc2ncsc2c1 ZINC000362516432 1127642018 /nfs/dbraw/zinc/64/20/18/1127642018.db2.gz PMUHMBWQNNDWQH-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1nnc([C@H](C)NC[C@@H](C)c2cc(F)cc(F)c2)s1 ZINC000295507116 1127644673 /nfs/dbraw/zinc/64/46/73/1127644673.db2.gz UOQXHKYJXJBTPL-BDAKNGLRSA-N 0 1 297.374 3.579 20 0 CHADMN CC(C)=CCC[C@@H](C)NC(=O)c1c[nH]c2ccccc2c1=O ZINC000295599328 1127647820 /nfs/dbraw/zinc/64/78/20/1127647820.db2.gz LCZJAPYXEAUNTC-CYBMUJFWSA-N 0 1 298.386 3.805 20 0 CHADMN COc1cccc(CNC(C)(C)c2cccs2)c1F ZINC000669682425 1127650939 /nfs/dbraw/zinc/65/09/39/1127650939.db2.gz OGMABCHIDDQWNT-UHFFFAOYSA-N 0 1 279.380 3.921 20 0 CHADMN CC(C)C[C@]1(C)CCCN1C(=O)c1cccc2[nH]cnc21 ZINC000295798298 1127652911 /nfs/dbraw/zinc/65/29/11/1127652911.db2.gz NJHVZONWXKLTQT-KRWDZBQOSA-N 0 1 285.391 3.604 20 0 CHADMN c1ccc(-c2cnc(CNC3CCC4(CC4)CC3)nc2)cc1 ZINC000362917629 1127654267 /nfs/dbraw/zinc/65/42/67/1127654267.db2.gz KTDROMGVKRUVFM-UHFFFAOYSA-N 0 1 293.414 3.956 20 0 CHADMN CO[C@@H](CNCc1ncc(C)s1)c1cccc(Cl)c1 ZINC000295881266 1127656315 /nfs/dbraw/zinc/65/63/15/1127656315.db2.gz XZRYHXFCWPLRLI-ZDUSSCGKSA-N 0 1 296.823 3.582 20 0 CHADMN COc1cccc2c1OCC[C@@H]2NCc1cccc(C)c1 ZINC000603518970 1127656498 /nfs/dbraw/zinc/65/64/98/1127656498.db2.gz SLMWSFVGXZCIKZ-INIZCTEOSA-N 0 1 283.371 3.617 20 0 CHADMN c1nn(-c2ccccc2)nc1CN(C1CC1)C1CCCCC1 ZINC000061162601 1127659412 /nfs/dbraw/zinc/65/94/12/1127659412.db2.gz CBEIBEFFMVCWAU-UHFFFAOYSA-N 0 1 296.418 3.564 20 0 CHADMN C[C@@H](c1ccncc1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000599200747 1127663390 /nfs/dbraw/zinc/66/33/90/1127663390.db2.gz FNARNMKSZFFUKO-HNNXBMFYSA-N 0 1 294.398 3.738 20 0 CHADMN C[C@H](NCc1nccc(C(F)F)n1)[C@H]1CCCC[C@H]1C ZINC000296140342 1127663652 /nfs/dbraw/zinc/66/36/52/1127663652.db2.gz VBYMJUAEESLEJV-WOPDTQHZSA-N 0 1 283.366 3.719 20 0 CHADMN c1cn2c(n1)[C@H](N[C@H](CC1CCC1)c1ccccc1)CC2 ZINC000296235064 1127665800 /nfs/dbraw/zinc/66/58/00/1127665800.db2.gz APMPLCGZWQBLNC-IAGOWNOFSA-N 0 1 281.403 3.849 20 0 CHADMN CCCCCc1ccc(NC(=O)[C@@H]2CCCCN2C)cc1 ZINC000599303277 1127667544 /nfs/dbraw/zinc/66/75/44/1127667544.db2.gz MQZXIWRVUAVIEZ-KRWDZBQOSA-N 0 1 288.435 3.842 20 0 CHADMN COc1ncc(CN[C@H](C)c2csc(C)c2)cc1Cl ZINC000296300055 1127667906 /nfs/dbraw/zinc/66/79/06/1127667906.db2.gz FVJWYQOVWKQCRH-SNVBAGLBSA-N 0 1 296.823 3.964 20 0 CHADMN CCCOc1ccc(CNCc2csc(C)c2)cn1 ZINC000296291275 1127668130 /nfs/dbraw/zinc/66/81/30/1127668130.db2.gz FQYHZVRJYDDYOR-UHFFFAOYSA-N 0 1 276.405 3.530 20 0 CHADMN CCC[C@H]1CCC[C@@H]1NCc1ncc(C(F)(F)F)cn1 ZINC000296409752 1127670768 /nfs/dbraw/zinc/67/07/68/1127670768.db2.gz KURGMUONVYZYTI-JQWIXIFHSA-N 0 1 287.329 3.554 20 0 CHADMN C[C@@H](NC(=O)[C@H]1CCCCN1C)c1cccc2ccccc21 ZINC000599389390 1127670797 /nfs/dbraw/zinc/67/07/97/1127670797.db2.gz QWUZXKDJPMAXEQ-RDTXWAMCSA-N 0 1 296.414 3.501 20 0 CHADMN CS[C@@H]1CCN([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000296455909 1127672261 /nfs/dbraw/zinc/67/22/61/1127672261.db2.gz WUDGZRIYUSDGPQ-TZMCWYRMSA-N 0 1 288.416 3.840 20 0 CHADMN CCc1ccc([C@@H](CC)NCc2n[nH]c(C(C)C)n2)cc1 ZINC000296466263 1127672908 /nfs/dbraw/zinc/67/29/08/1127672908.db2.gz NNYUQUBTQNIBBS-OAHLLOKOSA-N 0 1 286.423 3.731 20 0 CHADMN CCc1oc2ccccc2c1CN(C)Cc1cccnc1N ZINC000296621113 1127678556 /nfs/dbraw/zinc/67/85/56/1127678556.db2.gz UVAVMCUIOAFCLS-UHFFFAOYSA-N 0 1 295.386 3.604 20 0 CHADMN CC[C@H]1CCCCN1Cc1ccc(Br)nc1C ZINC001232323751 1127682455 /nfs/dbraw/zinc/68/24/55/1127682455.db2.gz JRRMFEJESGETKN-ZDUSSCGKSA-N 0 1 297.240 3.917 20 0 CHADMN CCC(C)(C)N(C)Cc1nc(-c2ccccc2C)no1 ZINC000603937879 1127683365 /nfs/dbraw/zinc/68/33/65/1127683365.db2.gz WODLUDWVVCZFNG-UHFFFAOYSA-N 0 1 273.380 3.665 20 0 CHADMN C[C@H]1C[C@@H](N[C@H]2c3ccccc3CC[C@H]2C)c2nccn21 ZINC000296796491 1127683560 /nfs/dbraw/zinc/68/35/60/1127683560.db2.gz LGIBGYTTYOYWQC-DLTLXFJOSA-N 0 1 281.403 3.802 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cnc(Cl)s2)C1 ZINC000229393196 1127679860 /nfs/dbraw/zinc/67/98/60/1127679860.db2.gz OMEGMQMIAYWLCW-OPRDCNLKSA-N 0 1 258.818 3.663 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCCc3c[nH]nc32)cs1 ZINC000296840252 1127684229 /nfs/dbraw/zinc/68/42/29/1127684229.db2.gz MWLLHDFMOSLCTG-ZWNOBZJWSA-N 0 1 261.394 3.508 20 0 CHADMN Cc1cc([C@H](C)N[C@H](CO)c2ccc(F)cc2)cs1 ZINC000296913337 1127686041 /nfs/dbraw/zinc/68/60/41/1127686041.db2.gz PJWBTTZOYDBEAE-XHDPSFHLSA-N 0 1 279.380 3.580 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2cccc(C)c2F)n[nH]1 ZINC000296966829 1127686310 /nfs/dbraw/zinc/68/63/10/1127686310.db2.gz URJCKSKBITVHIG-PWSUYJOCSA-N 0 1 290.386 3.617 20 0 CHADMN CC(C)c1ccccc1OCCN[C@@H]1C[C@H](C)n2ccnc21 ZINC000297008945 1127687473 /nfs/dbraw/zinc/68/74/73/1127687473.db2.gz SZQBIZXORMEVKS-GOEBONIOSA-N 0 1 299.418 3.681 20 0 CHADMN CCN(Cc1ccccc1)Cc1cccc(OC)c1F ZINC000669706916 1127689385 /nfs/dbraw/zinc/68/93/85/1127689385.db2.gz SIRAOPMDGDWAMP-UHFFFAOYSA-N 0 1 273.351 3.856 20 0 CHADMN CCc1nn(C)c(CC)c1CN[C@@H](C)c1csc(C)c1 ZINC000297112415 1127688903 /nfs/dbraw/zinc/68/89/03/1127688903.db2.gz YCUIRKOYHYQNQF-LBPRGKRZSA-N 0 1 291.464 3.766 20 0 CHADMN COc1cccc(C[N@@H+](C)[C@@H]2CCc3ccccc32)c1F ZINC000669707206 1127689717 /nfs/dbraw/zinc/68/97/17/1127689717.db2.gz MUBXWBOFXGPPED-MRXNPFEDSA-N 0 1 285.362 3.954 20 0 CHADMN COc1cccc(CN(C)[C@@H]2CCc3ccccc32)c1F ZINC000669707206 1127689719 /nfs/dbraw/zinc/68/97/19/1127689719.db2.gz MUBXWBOFXGPPED-MRXNPFEDSA-N 0 1 285.362 3.954 20 0 CHADMN C[C@H](NCC1=CCCCC1)c1cccnc1Cl ZINC000297378665 1127694563 /nfs/dbraw/zinc/69/45/63/1127694563.db2.gz QXADSAKPAXDBFV-NSHDSACASA-N 0 1 250.773 3.886 20 0 CHADMN CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000297321687 1127694034 /nfs/dbraw/zinc/69/40/34/1127694034.db2.gz ZPVMPHHKGVRMMO-CHWSQXEVSA-N 0 1 298.390 3.627 20 0 CHADMN CSc1cc(C)c(CN2CCC(OC(C)C)CC2)cn1 ZINC001232345595 1127694814 /nfs/dbraw/zinc/69/48/14/1127694814.db2.gz FISYUWNYYIYJAN-UHFFFAOYSA-N 0 1 294.464 3.501 20 0 CHADMN C[C@H](NCCC(C)(F)F)c1ncc(Br)s1 ZINC000297402857 1127695110 /nfs/dbraw/zinc/69/51/10/1127695110.db2.gz SPNRKONLCFNGFZ-LURJTMIESA-N 0 1 299.184 3.602 20 0 CHADMN c1nnc([C@@H]([NH2+]CC2=CCCCC2)C2CCCCC2)[n-]1 ZINC000297414841 1127696255 /nfs/dbraw/zinc/69/62/55/1127696255.db2.gz UGLWCWSSNBSDLF-HNNXBMFYSA-N 0 1 274.412 3.516 20 0 CHADMN CC[C@H](NCc1cn2c(cccc2C)n1)c1ccsc1 ZINC000297535206 1127699375 /nfs/dbraw/zinc/69/93/75/1127699375.db2.gz DSUNWMJCIVEUQR-HNNXBMFYSA-N 0 1 285.416 3.945 20 0 CHADMN COc1cccc(CN2CC[C@H](CC(F)(F)F)C2)c1F ZINC000669713358 1127698365 /nfs/dbraw/zinc/69/83/65/1127698365.db2.gz CIZFJKNIMCJMTQ-SNVBAGLBSA-N 0 1 291.288 3.609 20 0 CHADMN COc1ccccc1[C@H](CC(C)C)N[C@@H](C)c1cn[nH]c1 ZINC000297581267 1127700853 /nfs/dbraw/zinc/70/08/53/1127700853.db2.gz HEAUSIXDGDHHEM-BBRMVZONSA-N 0 1 287.407 3.856 20 0 CHADMN CC1(C)CN(C/C=C/c2ccccc2)C(C)(C)CO1 ZINC000604388322 1127703756 /nfs/dbraw/zinc/70/37/56/1127703756.db2.gz JXLXISBJMHHVAK-DHZHZOJOSA-N 0 1 259.393 3.589 20 0 CHADMN CCc1csc(CN(C)CC2CCCCC2)n1 ZINC001232476252 1127714979 /nfs/dbraw/zinc/71/49/79/1127714979.db2.gz VSBMWDLZWSUCNB-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN CCOC1(C)CCN(Cc2nc3ccccc3s2)CC1 ZINC000298357450 1127720519 /nfs/dbraw/zinc/72/05/19/1127720519.db2.gz UCDMITPJDCWGTH-UHFFFAOYSA-N 0 1 290.432 3.687 20 0 CHADMN CC[C@@H]1CCCN([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000298459102 1127724083 /nfs/dbraw/zinc/72/40/83/1127724083.db2.gz LDPIKUXWMOVHIQ-HZPDHXFCSA-N 0 1 288.435 3.752 20 0 CHADMN Fc1ccc(CN(CCc2ccncc2)C2CC2)c(F)c1 ZINC000298717008 1127730543 /nfs/dbraw/zinc/73/05/43/1127730543.db2.gz JMSRQKXNICCLNF-UHFFFAOYSA-N 0 1 288.341 3.567 20 0 CHADMN CCN(CC)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000298692984 1127729454 /nfs/dbraw/zinc/72/94/54/1127729454.db2.gz RXNKVFHKMUDXOC-UHFFFAOYSA-N 0 1 296.414 3.558 20 0 CHADMN Cc1cc(C(=O)N2CCCCC[C@H]2c2cccc(C)c2)n[nH]1 ZINC000605144460 1127730170 /nfs/dbraw/zinc/73/01/70/1127730170.db2.gz KMSPUZRIJRQUPP-KRWDZBQOSA-N 0 1 297.402 3.784 20 0 CHADMN Cc1ccc([C@@H]2CCCCCN2Cc2ccnc(C)n2)o1 ZINC000366485646 1127746854 /nfs/dbraw/zinc/74/68/54/1127746854.db2.gz WWENVSXEOVMAOP-INIZCTEOSA-N 0 1 285.391 3.804 20 0 CHADMN c1ccc(C2CCN(Cc3nc4ccccc4o3)CC2)nc1 ZINC000366794853 1127747999 /nfs/dbraw/zinc/74/79/99/1127747999.db2.gz AGHQYKGDOSACOZ-UHFFFAOYSA-N 0 1 293.370 3.602 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)N1C[C@@H](C)OC(C)(C)C1 ZINC000606431948 1127762385 /nfs/dbraw/zinc/76/23/85/1127762385.db2.gz LFPKQWSARZYVAE-DOMZBBRYSA-N 0 1 265.372 3.776 20 0 CHADMN c1cc2c(s1)CCN(C[C@@H]1CCC3(CCCCC3)O1)C2 ZINC000409446387 1127769487 /nfs/dbraw/zinc/76/94/87/1127769487.db2.gz UIKGBYQZAPBXTQ-HNNXBMFYSA-N 0 1 291.460 3.988 20 0 CHADMN COC(C)(C)CCN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000409446409 1127769561 /nfs/dbraw/zinc/76/95/61/1127769561.db2.gz NOTPEHPVVZFHCG-HNNXBMFYSA-N 0 1 297.826 3.528 20 0 CHADMN c1nc(CN2CCC[C@@H](Cc3ccccc3)C2)cs1 ZINC000371548827 1127770757 /nfs/dbraw/zinc/77/07/57/1127770757.db2.gz WSWWEPFKHYELCS-HNNXBMFYSA-N 0 1 272.417 3.598 20 0 CHADMN Cc1ccc2oc(CN[C@H]3CCCc4c3cnn4C)cc2c1 ZINC000606912046 1127782343 /nfs/dbraw/zinc/78/23/43/1127782343.db2.gz YLFJBRFEAWIALB-INIZCTEOSA-N 0 1 295.386 3.642 20 0 CHADMN COC[C@H]1CCCCN(Cc2csc(C(C)(C)C)n2)C1 ZINC000372107428 1127788055 /nfs/dbraw/zinc/78/80/55/1127788055.db2.gz GLPCIBIWZYGRAP-ZDUSSCGKSA-N 0 1 296.480 3.689 20 0 CHADMN CCCc1nc(CN2CCCCC[C@H]2CC(C)C)no1 ZINC000607157051 1127796863 /nfs/dbraw/zinc/79/68/63/1127796863.db2.gz ZTGXVBVVUNELDY-AWEZNQCLSA-N 0 1 279.428 3.813 20 0 CHADMN CC[C@@H](NC(=O)c1[nH]nc(C)c1C)C(C)(C)c1ccccc1 ZINC000607659974 1127818713 /nfs/dbraw/zinc/81/87/13/1127818713.db2.gz DPHDUZLTLMEQAN-OAHLLOKOSA-N 0 1 299.418 3.513 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2Cn2cc[nH]c2=S)c1 ZINC000173313829 1127818869 /nfs/dbraw/zinc/81/88/69/1127818869.db2.gz OKDRGGLFMRLJQK-AWEZNQCLSA-N 0 1 273.405 3.649 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cn2cc[nH]c2=S)c1 ZINC000173313829 1127818872 /nfs/dbraw/zinc/81/88/72/1127818872.db2.gz OKDRGGLFMRLJQK-AWEZNQCLSA-N 0 1 273.405 3.649 20 0 CHADMN Clc1ccc2c(c1Cl)OCC[C@@H]2NCc1cc[nH]c1 ZINC000372849375 1127817050 /nfs/dbraw/zinc/81/70/50/1127817050.db2.gz MIAPQNHVIUNNRG-LBPRGKRZSA-N 0 1 297.185 3.935 20 0 CHADMN CC(C)CCc1nc(CN2C[C@@H]3[C@H](C2)C3(C)C)cs1 ZINC000607755793 1127827850 /nfs/dbraw/zinc/82/78/50/1127827850.db2.gz WDWZJNOMUKJOFK-OKILXGFUSA-N 0 1 278.465 3.820 20 0 CHADMN CC[C@H](C)[C@@H](C)C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000373256938 1127830429 /nfs/dbraw/zinc/83/04/29/1127830429.db2.gz CKTHQYKOKSFLKJ-QWHCGFSZSA-N 0 1 286.419 3.785 20 0 CHADMN Cc1ccc(OCCN(C)Cc2ccnc(Cl)c2)cc1 ZINC000063517664 1127841555 /nfs/dbraw/zinc/84/15/55/1127841555.db2.gz MPEMIRGBRJIPJN-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN FC(F)(F)c1cccc(C2(NCc3cn[nH]c3)CCC2)c1 ZINC000608064879 1127843287 /nfs/dbraw/zinc/84/32/87/1127843287.db2.gz ACBAUYUDXCKCOM-UHFFFAOYSA-N 0 1 295.308 3.598 20 0 CHADMN OC1(CC[N@@H+](Cc2ccco2)Cc2ccccc2)CCC1 ZINC000411153631 1127844017 /nfs/dbraw/zinc/84/40/17/1127844017.db2.gz IWRFJGGFPTVLOK-UHFFFAOYSA-N 0 1 285.387 3.587 20 0 CHADMN OC1(CCN(Cc2ccco2)Cc2ccccc2)CCC1 ZINC000411153631 1127844022 /nfs/dbraw/zinc/84/40/22/1127844022.db2.gz IWRFJGGFPTVLOK-UHFFFAOYSA-N 0 1 285.387 3.587 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)CCc1cncs1 ZINC000411171214 1127844871 /nfs/dbraw/zinc/84/48/71/1127844871.db2.gz IMCCBRGBMOGJIZ-JTQLQIEISA-N 0 1 282.359 3.657 20 0 CHADMN CN(CCC(F)(F)F)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411212624 1127848677 /nfs/dbraw/zinc/84/86/77/1127848677.db2.gz KYRMFSYNUQOFCJ-NWDGAFQWSA-N 0 1 261.262 3.566 20 0 CHADMN CCc1ccc(CNC2(c3ccccc3)CCC2)nc1 ZINC000411319836 1127854698 /nfs/dbraw/zinc/85/46/98/1127854698.db2.gz DJXBQXZHHNFJOS-UHFFFAOYSA-N 0 1 266.388 3.813 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000373689750 1127857032 /nfs/dbraw/zinc/85/70/32/1127857032.db2.gz KJQKEZJYELSUKH-YOEHRIQHSA-N 0 1 292.386 3.553 20 0 CHADMN CCCC[N@@H+](C)Cc1ccc(Oc2ccccc2)nn1 ZINC000498959937 1127861880 /nfs/dbraw/zinc/86/18/80/1127861880.db2.gz ZXOPEKZITMJNBU-UHFFFAOYSA-N 0 1 271.364 3.501 20 0 CHADMN Cc1cnc(C[N@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)o1 ZINC000608494668 1127869888 /nfs/dbraw/zinc/86/98/88/1127869888.db2.gz MTRWKUHCRJQHQU-MRXNPFEDSA-N 0 1 288.366 3.719 20 0 CHADMN Cc1cnc(CN2CCCC[C@@H]2Cc2ccc(F)cc2)o1 ZINC000608494668 1127869894 /nfs/dbraw/zinc/86/98/94/1127869894.db2.gz MTRWKUHCRJQHQU-MRXNPFEDSA-N 0 1 288.366 3.719 20 0 CHADMN CCS[C@H]1CCCCN(Cc2nccn2C(C)C)C1 ZINC000374009322 1127870526 /nfs/dbraw/zinc/87/05/26/1127870526.db2.gz AVFGQAVCASYHNU-AWEZNQCLSA-N 0 1 281.469 3.572 20 0 CHADMN C[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccccc1N(C)C ZINC000608561343 1127876673 /nfs/dbraw/zinc/87/66/73/1127876673.db2.gz GZBCJIPNBUDKTK-HNNXBMFYSA-N 0 1 296.414 3.708 20 0 CHADMN C[C@H]1c2ccccc2OCCN1Cc1ccccc1N(C)C ZINC000608561343 1127876678 /nfs/dbraw/zinc/87/66/78/1127876678.db2.gz GZBCJIPNBUDKTK-HNNXBMFYSA-N 0 1 296.414 3.708 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1Cc1nc2ccccc2c(=O)[nH]1 ZINC000608566550 1127877695 /nfs/dbraw/zinc/87/76/95/1127877695.db2.gz KMWJFHQWKIBENL-CZUORRHYSA-N 0 1 299.418 3.736 20 0 CHADMN Cc1cc(CN2CCO[C@@H](C3CCC3)C2)c2ccccc2n1 ZINC000411881834 1127877716 /nfs/dbraw/zinc/87/77/16/1127877716.db2.gz XTEGRAQXBRKMOW-LJQANCHMSA-N 0 1 296.414 3.544 20 0 CHADMN Cc1cc(CN2CCO[C@H](C3CCC3)C2)c2ccccc2n1 ZINC000411881833 1127877946 /nfs/dbraw/zinc/87/79/46/1127877946.db2.gz XTEGRAQXBRKMOW-IBGZPJMESA-N 0 1 296.414 3.544 20 0 CHADMN CCOc1cccc(CN[C@H](CC)c2ccccc2)n1 ZINC000411892567 1127878113 /nfs/dbraw/zinc/87/81/13/1127878113.db2.gz NMRMNUQWFQRRFB-MRXNPFEDSA-N 0 1 270.376 3.721 20 0 CHADMN O[C@H]1C[C@@H](c2ccccc2)N(Cc2sccc2Cl)C1 ZINC000411926089 1127878934 /nfs/dbraw/zinc/87/89/34/1127878934.db2.gz OTYMNYZZSACCQX-JSGCOSHPSA-N 0 1 293.819 3.709 20 0 CHADMN O[C@H]1C[C@H](c2ccccc2)N(Cc2sccc2Cl)C1 ZINC000411926088 1127879428 /nfs/dbraw/zinc/87/94/28/1127879428.db2.gz OTYMNYZZSACCQX-GXTWGEPZSA-N 0 1 293.819 3.709 20 0 CHADMN O[C@@H]1C[C@H](c2ccccc2)N(Cc2ccccc2Cl)C1 ZINC000411959844 1127882672 /nfs/dbraw/zinc/88/26/72/1127882672.db2.gz YPFAGCDSZPXQOR-NVXWUHKLSA-N 0 1 287.790 3.648 20 0 CHADMN O=C1C[C@]2(CCN(CC3=CCCCC3)C2)Oc2ccccc21 ZINC000411984209 1127884308 /nfs/dbraw/zinc/88/43/08/1127884308.db2.gz MREKCMLFKSPAER-IBGZPJMESA-N 0 1 297.398 3.597 20 0 CHADMN C[C@@H]1CC(C)(C)C[N@H+]1Cc1nc2ccc(F)cc2o1 ZINC000412033227 1127890328 /nfs/dbraw/zinc/89/03/28/1127890328.db2.gz CUQUAGDGJHAIKZ-SNVBAGLBSA-N 0 1 262.328 3.587 20 0 CHADMN C[C@@H]1CC(C)(C)CN1Cc1nc2ccc(F)cc2o1 ZINC000412033227 1127890330 /nfs/dbraw/zinc/89/03/30/1127890330.db2.gz CUQUAGDGJHAIKZ-SNVBAGLBSA-N 0 1 262.328 3.587 20 0 CHADMN C[C@H]1CC(C)(C)CN1Cc1csc(-c2ccccn2)n1 ZINC000412039212 1127893344 /nfs/dbraw/zinc/89/33/44/1127893344.db2.gz JGHZOBLAXXEHHK-LBPRGKRZSA-N 0 1 287.432 3.826 20 0 CHADMN C[C@@H](N[C@@H](C)CCSc1ccccc1)c1csnn1 ZINC000412047246 1127893446 /nfs/dbraw/zinc/89/34/46/1127893446.db2.gz VKNCCUKPXGNRQE-NWDGAFQWSA-N 0 1 293.461 3.760 20 0 CHADMN C[C@@H](CN[C@@H](C)c1csnn1)c1cccc(Cl)c1 ZINC000412048350 1127893843 /nfs/dbraw/zinc/89/38/43/1127893843.db2.gz XIRUGXRGGKZTCX-UWVGGRQHSA-N 0 1 281.812 3.646 20 0 CHADMN CCCC[C@@H](C)C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000374387887 1127894383 /nfs/dbraw/zinc/89/43/83/1127894383.db2.gz PVDIIGHURUQADP-CYBMUJFWSA-N 0 1 286.419 3.929 20 0 CHADMN Cn1ccc([C@H](NC[C@@H]2CC=CCC2)c2ccc(F)cc2)n1 ZINC000374519865 1127901843 /nfs/dbraw/zinc/90/18/43/1127901843.db2.gz HBQASOBIDYAMJF-RDTXWAMCSA-N 0 1 299.393 3.595 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc(CC(C)C)c[nH]1 ZINC000412285503 1127904632 /nfs/dbraw/zinc/90/46/32/1127904632.db2.gz FHXFCVGMGYPRKF-UHFFFAOYSA-N 0 1 296.374 3.650 20 0 CHADMN Cn1cc2c(n1)CCC[C@H]2N[C@@H]1CC(C)(C)Cc2occc21 ZINC000374581609 1127905200 /nfs/dbraw/zinc/90/52/00/1127905200.db2.gz AZESZCIVVYQENP-GDBMZVCRSA-N 0 1 299.418 3.694 20 0 CHADMN COc1cc(CN(C)CC=C(C)C)c(SC)cc1OC ZINC000152667989 1127902790 /nfs/dbraw/zinc/90/27/90/1127902790.db2.gz KVEGLKCGBVSIBY-UHFFFAOYSA-N 0 1 295.448 3.824 20 0 CHADMN CO[C@H]1CCCN([C@@H](C)c2c(F)cccc2F)CC1 ZINC000374692758 1127910689 /nfs/dbraw/zinc/91/06/89/1127910689.db2.gz IREGMQRYESSLER-RYUDHWBXSA-N 0 1 269.335 3.527 20 0 CHADMN CC(C)(C)CCN1CCc2c3ccccc3[nH]c2C1 ZINC000535381386 1127913906 /nfs/dbraw/zinc/91/39/06/1127913906.db2.gz HWWLBVGZHGWJLP-UHFFFAOYSA-N 0 1 256.393 3.962 20 0 CHADMN C[C@@H](CCC(C)(C)C)NC(=O)c1n[nH]c2ccccc21 ZINC000386115066 1127919356 /nfs/dbraw/zinc/91/93/56/1127919356.db2.gz LAZPLBFYCCZPOC-NSHDSACASA-N 0 1 273.380 3.508 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1cn(C)nc1C(C)(C)C ZINC000539405148 1127921915 /nfs/dbraw/zinc/92/19/15/1127921915.db2.gz OLJUZBAFOSCBAU-AWEZNQCLSA-N 0 1 297.446 3.837 20 0 CHADMN CC[C@@H](NCc1ccccc1OC)c1ccccc1OC ZINC000035272690 1127925203 /nfs/dbraw/zinc/92/52/03/1127925203.db2.gz YTGBEKKGTROUBH-MRXNPFEDSA-N 0 1 285.387 3.945 20 0 CHADMN CCCCn1cc(CNCc2ccc(Cl)cc2)c(C)n1 ZINC000539553690 1127930635 /nfs/dbraw/zinc/93/06/35/1127930635.db2.gz YAISXHCRMYVMBC-UHFFFAOYSA-N 0 1 291.826 3.935 20 0 CHADMN Cc1nc([C@@H](C)Sc2ccc(Br)cc2)n[nH]1 ZINC000412980666 1127935081 /nfs/dbraw/zinc/93/50/81/1127935081.db2.gz SIRGWNHDDZJLTN-SSDOTTSWSA-N 0 1 298.209 3.729 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000380175794 1127936650 /nfs/dbraw/zinc/93/66/50/1127936650.db2.gz BZCFJAQHFDVQOR-BYCMXARLSA-N 0 1 295.810 3.834 20 0 CHADMN CC[C@H](COC)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000539690283 1127936660 /nfs/dbraw/zinc/93/66/60/1127936660.db2.gz PAWVXHYNUZNFAF-SNVBAGLBSA-N 0 1 288.218 3.997 20 0 CHADMN COc1ccccc1[C@H](C)S[C@@H](C)c1n[nH]c(C)n1 ZINC000413002902 1127938003 /nfs/dbraw/zinc/93/80/03/1127938003.db2.gz VQQWQPQSVFMGDN-UWVGGRQHSA-N 0 1 277.393 3.677 20 0 CHADMN Cc1nc([C@H](C)SCc2ccccc2Cl)n[nH]1 ZINC000413003932 1127938986 /nfs/dbraw/zinc/93/89/86/1127938986.db2.gz JHJSJSJOZLFMSC-QMMMGPOBSA-N 0 1 267.785 3.761 20 0 CHADMN FC(F)(F)c1ccccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375294336 1127940113 /nfs/dbraw/zinc/94/01/13/1127940113.db2.gz XKFFOCIGLBLVNA-HNNXBMFYSA-N 0 1 299.336 3.708 20 0 CHADMN CCn1cc(CN(C)Cc2c(C)cc(Cl)cc2C)cn1 ZINC000539825478 1127940680 /nfs/dbraw/zinc/94/06/80/1127940680.db2.gz BTXFHOYKKZITBT-UHFFFAOYSA-N 0 1 291.826 3.805 20 0 CHADMN C[C@H](CCc1cccc(F)c1)[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000375346148 1127942154 /nfs/dbraw/zinc/94/21/54/1127942154.db2.gz VRWPWNVWZVQJFP-CZUORRHYSA-N 0 1 287.382 3.707 20 0 CHADMN C[C@H](CCc1cccc(F)c1)N1CCC[C@@H]1c1ncc[nH]1 ZINC000375346148 1127942157 /nfs/dbraw/zinc/94/21/57/1127942157.db2.gz VRWPWNVWZVQJFP-CZUORRHYSA-N 0 1 287.382 3.707 20 0 CHADMN c1c[nH]c([C@@H]2CCC[N@@H+]2CCCCc2ccccc2)n1 ZINC000375394922 1127943572 /nfs/dbraw/zinc/94/35/72/1127943572.db2.gz ZTJCQKPCOIJULE-INIZCTEOSA-N 0 1 269.392 3.570 20 0 CHADMN c1c[nH]c([C@@H]2CCCN2CCCCc2ccccc2)n1 ZINC000375394922 1127943575 /nfs/dbraw/zinc/94/35/75/1127943575.db2.gz ZTJCQKPCOIJULE-INIZCTEOSA-N 0 1 269.392 3.570 20 0 CHADMN Cc1cc(F)ccc1CN1CCc2ccsc2C1 ZINC000539837113 1127947351 /nfs/dbraw/zinc/94/73/51/1127947351.db2.gz BARHLOSZTHMQPC-UHFFFAOYSA-N 0 1 261.365 3.754 20 0 CHADMN CCn1nccc1CN1CCCC[C@@H]1c1ccc(C)cc1 ZINC000539839986 1127947683 /nfs/dbraw/zinc/94/76/83/1127947683.db2.gz DZSTYOZOXCYGKD-GOSISDBHSA-N 0 1 283.419 3.939 20 0 CHADMN CC(C)COc1ccc(CN2CC[C@](C)(F)C2)cc1 ZINC000539924265 1127955193 /nfs/dbraw/zinc/95/51/93/1127955193.db2.gz WUAOZVYZDLCRDH-INIZCTEOSA-N 0 1 265.372 3.655 20 0 CHADMN COc1ccc(C[N@H+]2CCCC3(CCC3)C2)c(Cl)c1O ZINC001233401984 1127957586 /nfs/dbraw/zinc/95/75/86/1127957586.db2.gz WSOXDYATEPTIQJ-UHFFFAOYSA-N 0 1 295.810 3.820 20 0 CHADMN COc1ccc(CN2CCCC3(CCC3)C2)c(Cl)c1O ZINC001233401984 1127957587 /nfs/dbraw/zinc/95/75/87/1127957587.db2.gz WSOXDYATEPTIQJ-UHFFFAOYSA-N 0 1 295.810 3.820 20 0 CHADMN CC[C@@H](c1ccccc1)N(CC(=O)OC)C1CCCC1 ZINC000540063233 1127960072 /nfs/dbraw/zinc/96/00/72/1127960072.db2.gz JZWDXIHLXJQIEG-INIZCTEOSA-N 0 1 275.392 3.555 20 0 CHADMN Fc1ccc([C@@H](NCCC2CC2)c2cccnc2)c(F)c1 ZINC000346617363 1127962730 /nfs/dbraw/zinc/96/27/30/1127962730.db2.gz CSQKCUXGCQWWAE-KRWDZBQOSA-N 0 1 288.341 3.839 20 0 CHADMN CCCCn1cc(CNCc2ccc(Cl)s2)c(C)n1 ZINC000540204319 1127969043 /nfs/dbraw/zinc/96/90/43/1127969043.db2.gz OBKKCCWVDGUHCH-UHFFFAOYSA-N 0 1 297.855 3.996 20 0 CHADMN CO[C@H](CN1CCCC[C@@H]1c1ncc[nH]1)C1CCCCC1 ZINC000660008358 1127970603 /nfs/dbraw/zinc/97/06/03/1127970603.db2.gz XLHXDSPRTDKXOX-HZPDHXFCSA-N 0 1 291.439 3.532 20 0 CHADMN C[C@H]1C[C@@H]1CN1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000467552796 1127973495 /nfs/dbraw/zinc/97/34/95/1127973495.db2.gz XXFOKSFZLUUDME-NWDGAFQWSA-N 0 1 272.367 3.711 20 0 CHADMN C[C@H]1C[C@H]1CN1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000467552797 1127973575 /nfs/dbraw/zinc/97/35/75/1127973575.db2.gz XXFOKSFZLUUDME-RYUDHWBXSA-N 0 1 272.367 3.711 20 0 CHADMN C[C@H](NCCN(C)c1ccccc1)c1c(F)cccc1F ZINC000540325391 1127974923 /nfs/dbraw/zinc/97/49/23/1127974923.db2.gz KMYVBWVSFQSVQE-ZDUSSCGKSA-N 0 1 290.357 3.752 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)NCCC(C)C)n2)cc1 ZINC000544518509 1127976150 /nfs/dbraw/zinc/97/61/50/1127976150.db2.gz YNRNHCYTJJLZQX-ZDUSSCGKSA-N 0 1 287.407 3.996 20 0 CHADMN CCC[C@H]1CCCCN1Cc1nc(-c2cccs2)no1 ZINC000544530422 1127976362 /nfs/dbraw/zinc/97/63/62/1127976362.db2.gz UDGQICFOOQEQSV-LBPRGKRZSA-N 0 1 291.420 3.953 20 0 CHADMN FC(F)Oc1ccccc1CSc1nc(C2CC2)n[nH]1 ZINC000193021680 1127981140 /nfs/dbraw/zinc/98/11/40/1127981140.db2.gz LNUIUUQTBQGMHS-UHFFFAOYSA-N 0 1 297.330 3.576 20 0 CHADMN FC(F)Oc1ccccc1CSc1n[nH]c(C2CC2)n1 ZINC000193021680 1127981141 /nfs/dbraw/zinc/98/11/41/1127981141.db2.gz LNUIUUQTBQGMHS-UHFFFAOYSA-N 0 1 297.330 3.576 20 0 CHADMN O=C(NC1CCC1)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000544735905 1127981856 /nfs/dbraw/zinc/98/18/56/1127981856.db2.gz BKNBQWVZJOEMMA-UHFFFAOYSA-N 0 1 297.383 3.574 20 0 CHADMN COc1cccc(Cl)c1CN1CC[C@@H]1C(C)C ZINC000540502084 1127983031 /nfs/dbraw/zinc/98/30/31/1127983031.db2.gz CFCRCAHHCSRENG-CYBMUJFWSA-N 0 1 253.773 3.579 20 0 CHADMN CCc1cccc(N(C)C(=O)c2cc(Cl)ccc2O)c1 ZINC001626006793 1127989569 /nfs/dbraw/zinc/98/95/69/1127989569.db2.gz NNDFNXGLGQUDDS-UHFFFAOYSA-N 0 1 289.762 3.885 20 0 CHADMN CC(C)[C@H](Oc1n[nH]c(=O)cc1Cl)c1ccccc1 ZINC001233587409 1127992949 /nfs/dbraw/zinc/99/29/49/1127992949.db2.gz QXLCKHARQNTZOE-ZDUSSCGKSA-N 0 1 278.739 3.612 20 0 CHADMN CC[C@@]1(C)CCN(CC(=O)Nc2cccc(Cl)c2C)C1 ZINC000468137141 1127993900 /nfs/dbraw/zinc/99/39/00/1127993900.db2.gz UWNRRAVSLHJPSJ-INIZCTEOSA-N 0 1 294.826 3.709 20 0 CHADMN CC[C@@]1(C)CCN([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000468135067 1127994124 /nfs/dbraw/zinc/99/41/24/1127994124.db2.gz XTZBGYQDBFWHHP-ABAIWWIYSA-N 0 1 291.420 3.981 20 0 CHADMN CCN(c1ccc(N[C@@H](C)[C@H]2CCCO2)cc1)C(C)C ZINC000753701022 1127997827 /nfs/dbraw/zinc/99/78/27/1127997827.db2.gz UZCFUDSRFFPMOL-WMLDXEAASA-N 0 1 276.424 3.901 20 0 CHADMN CCc1cccc(CSc2nc(-c3ccccn3)n[nH]2)c1 ZINC000468473854 1128009147 /nfs/dbraw/zinc/00/91/47/1128009147.db2.gz AGSGZVMDKUDHEB-UHFFFAOYSA-N 0 1 296.399 3.721 20 0 CHADMN CN(CCCc1ccsc1)Cc1nc2ccccc2o1 ZINC000541205361 1128011253 /nfs/dbraw/zinc/01/12/53/1128011253.db2.gz YSPCOADJQFOYFN-UHFFFAOYSA-N 0 1 286.400 3.954 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1Cc1cccc(O)c1OC ZINC000468681918 1128015544 /nfs/dbraw/zinc/01/55/44/1128015544.db2.gz AIQZZBZZHLRWCR-KRWDZBQOSA-N 0 1 297.398 3.738 20 0 CHADMN CCc1ccccc1NC(=O)CN1C[C@@H](C)CC(C)(C)C1 ZINC000541316650 1128017157 /nfs/dbraw/zinc/01/71/57/1128017157.db2.gz YFJBFDLMRJLCQH-AWEZNQCLSA-N 0 1 288.435 3.556 20 0 CHADMN C[C@H](c1ncccn1)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000929676611 1128017843 /nfs/dbraw/zinc/01/78/43/1128017843.db2.gz RHVMZHJUTLIAPG-NFAWXSAZSA-N 0 1 285.366 3.555 20 0 CHADMN CO[C@H]1CCC[C@H]1Sc1nc2ccc(C)cc2[nH]1 ZINC000541409572 1128023250 /nfs/dbraw/zinc/02/32/50/1128023250.db2.gz XVHSRWIQHBCHNS-QWHCGFSZSA-N 0 1 262.378 3.531 20 0 CHADMN COc1ncccc1CN(C)[C@@H]1CCCc2ccccc21 ZINC000516614301 1128023647 /nfs/dbraw/zinc/02/36/47/1128023647.db2.gz HJOCDMSRIGEBPS-QGZVFWFLSA-N 0 1 282.387 3.600 20 0 CHADMN O=C(c1cc(C(F)F)[nH]n1)N(CC1CC1)C1CCCCC1 ZINC000900539078 1128023699 /nfs/dbraw/zinc/02/36/99/1128023699.db2.gz BDEHCHUHLGSBQS-UHFFFAOYSA-N 0 1 297.349 3.532 20 0 CHADMN CCC[C@@H](C)N(C)C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000468955393 1128029388 /nfs/dbraw/zinc/02/93/88/1128029388.db2.gz KJBHPWNXABPVIY-NVXWUHKLSA-N 0 1 290.451 3.717 20 0 CHADMN CC(C)C[C@H]1CCCN(Cc2cn3ccsc3n2)C1 ZINC000468966393 1128029716 /nfs/dbraw/zinc/02/97/16/1128029716.db2.gz NKKGQMOMBDMYPZ-CYBMUJFWSA-N 0 1 277.437 3.654 20 0 CHADMN CC(C)c1cccc(NC(=O)[C@H]2C[C@H](C)Cc3cn[nH]c32)c1 ZINC000646609367 1128031031 /nfs/dbraw/zinc/03/10/31/1128031031.db2.gz MEEFTICMSFEADA-WBMJQRKESA-N 0 1 297.402 3.838 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SC/C=C\Cl)n2)o1 ZINC000913611182 1128031730 /nfs/dbraw/zinc/03/17/30/1128031730.db2.gz IUIHRPMMROBYBO-CHDHBYOMSA-N 0 1 281.768 3.721 20 0 CHADMN Cc1nnc([C@H](C)NCCC23CC4CC(CC(C4)C2)C3)o1 ZINC000541685551 1128033776 /nfs/dbraw/zinc/03/37/76/1128033776.db2.gz RHKJPTZVSBGJMQ-AOYIQCRGSA-N 0 1 289.423 3.635 20 0 CHADMN CCC[C@H]1CCCCN1Cc1csc(N(C)C2CC2)n1 ZINC000541695176 1128033858 /nfs/dbraw/zinc/03/38/58/1128033858.db2.gz USHOXEVGKMKBEK-HNNXBMFYSA-N 0 1 293.480 3.896 20 0 CHADMN C[C@H](NCC[C@H]1C[C@H](C)C[C@H](C)C1)c1ccon1 ZINC000541719144 1128034132 /nfs/dbraw/zinc/03/41/32/1128034132.db2.gz YUTXHPWFNUOWSC-RFQIPJPRSA-N 0 1 250.386 3.788 20 0 CHADMN C[C@H](NCCC1C[C@H](C)C[C@@H](C)C1)c1ccon1 ZINC000541719146 1128034489 /nfs/dbraw/zinc/03/44/89/1128034489.db2.gz YUTXHPWFNUOWSC-UPJWGTAASA-N 0 1 250.386 3.788 20 0 CHADMN CCC[C@@H](NCc1nc2ccc(C)cc2[nH]1)c1cccnc1 ZINC000541733800 1128035216 /nfs/dbraw/zinc/03/52/16/1128035216.db2.gz NHVNFCOXDQUSBV-OAHLLOKOSA-N 0 1 294.402 3.897 20 0 CHADMN c1nc2ccc(CN3CCCc4ccccc43)cc2[nH]1 ZINC000541881493 1128042043 /nfs/dbraw/zinc/04/20/43/1128042043.db2.gz NXEOSHZTIQVHOK-UHFFFAOYSA-N 0 1 263.344 3.516 20 0 CHADMN COc1ccccc1CN(C)Cc1ccc(C)cc1C ZINC000508877678 1128037535 /nfs/dbraw/zinc/03/75/35/1128037535.db2.gz ZELHJLNGEUTAEF-UHFFFAOYSA-N 0 1 269.388 3.944 20 0 CHADMN C[C@@H](N[C@@H](C)Cc1ccc(Cl)cc1)c1ccon1 ZINC000541771429 1128038112 /nfs/dbraw/zinc/03/81/12/1128038112.db2.gz IGGMXDNSLFICDT-WDEREUQCSA-N 0 1 264.756 3.610 20 0 CHADMN COCC1(NCc2ccc(-c3ccccc3)cc2F)CC1 ZINC000541869623 1128041533 /nfs/dbraw/zinc/04/15/33/1128041533.db2.gz NILDYEZYEBYXCR-UHFFFAOYSA-N 0 1 285.362 3.761 20 0 CHADMN Fc1ccc(CN2CCC[C@H]2/C=C/c2ccccc2)nc1 ZINC000469759594 1128052634 /nfs/dbraw/zinc/05/26/34/1128052634.db2.gz AUIFCQQGFLESAO-MZEUMTGBSA-N 0 1 282.362 3.899 20 0 CHADMN CO[C@@H]1[C@H](C)[C@H](N[C@@H](C)c2csc(C(C)C)n2)C1(C)C ZINC000469783072 1128053152 /nfs/dbraw/zinc/05/31/52/1128053152.db2.gz JEVLWMIOJFWMCY-UVLXDEKHSA-N 0 1 296.480 3.977 20 0 CHADMN COCC[N@@H+](Cc1ccc(C)o1)[C@@H](C)Cc1ccsc1 ZINC000542152763 1128053537 /nfs/dbraw/zinc/05/35/37/1128053537.db2.gz QBHUAVNQHBTAOA-ZDUSSCGKSA-N 0 1 293.432 3.729 20 0 CHADMN CN(Cc1ccsc1)C[C@H]1CCC2(CCCC2)O1 ZINC000669927368 1128056014 /nfs/dbraw/zinc/05/60/14/1128056014.db2.gz HJDHPTVNVUFSCZ-CQSZACIVSA-N 0 1 265.422 3.672 20 0 CHADMN CCCc1nc(CN(C)C[C@H]2CC=CCC2)cs1 ZINC000542251779 1128058202 /nfs/dbraw/zinc/05/82/02/1128058202.db2.gz BIKPTZBVSMFNPJ-ZDUSSCGKSA-N 0 1 264.438 3.884 20 0 CHADMN CC(C)c1ccc([C@H](C)N(C)C[C@H](O)C(F)(F)F)cc1 ZINC000542256227 1128059786 /nfs/dbraw/zinc/05/97/86/1128059786.db2.gz UPJSATCLXZMLFB-FZMZJTMJSA-N 0 1 289.341 3.726 20 0 CHADMN CC(C)C1CCN(Cc2nc(C3CC3)cs2)CC1 ZINC000542280102 1128060658 /nfs/dbraw/zinc/06/06/58/1128060658.db2.gz HXQGDHLFEDXDLK-UHFFFAOYSA-N 0 1 264.438 3.889 20 0 CHADMN FC(F)(F)C1=CCN(C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000669932479 1128065502 /nfs/dbraw/zinc/06/55/02/1128065502.db2.gz ZOPMYZHHDVFKSW-ZDUSSCGKSA-N 0 1 289.341 3.673 20 0 CHADMN CCC1(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)CCCC1 ZINC000470314501 1128068913 /nfs/dbraw/zinc/06/89/13/1128068913.db2.gz TXFHWJFIUKFMLY-UHFFFAOYSA-N 0 1 291.439 3.636 20 0 CHADMN CC(C)C[C@H](C)CC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000470330372 1128069263 /nfs/dbraw/zinc/06/92/63/1128069263.db2.gz LESYLIBURDNROW-ZDUSSCGKSA-N 0 1 293.455 3.738 20 0 CHADMN CCN(Cc1cccs1)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000172586489 1128072177 /nfs/dbraw/zinc/07/21/77/1128072177.db2.gz DWYDWZRPXHKSBY-AWEZNQCLSA-N 0 1 296.480 3.604 20 0 CHADMN CC[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000303516140 1128070266 /nfs/dbraw/zinc/07/02/66/1128070266.db2.gz XYZJQFRSCUDQCX-VXGBXAGGSA-N 0 1 282.815 3.645 20 0 CHADMN Cc1ccnc(NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000470516454 1128072228 /nfs/dbraw/zinc/07/22/28/1128072228.db2.gz QZOONYNZJQVNFC-FUHWJXTLSA-N 0 1 282.387 3.970 20 0 CHADMN CC(C)c1ccc(C[N@H+]2CC[C@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000232763956 1128072525 /nfs/dbraw/zinc/07/25/25/1128072525.db2.gz MMKHJHFVAKKLBS-GOSISDBHSA-N 0 1 289.419 3.743 20 0 CHADMN C[C@@H](N[C@H](C)c1ccsc1)C(=O)N(C)C1CCCCC1 ZINC000669938829 1128076224 /nfs/dbraw/zinc/07/62/24/1128076224.db2.gz ATVDSCXILNAXFB-CHWSQXEVSA-N 0 1 294.464 3.578 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cc(C)[nH]n1 ZINC000172873406 1128078922 /nfs/dbraw/zinc/07/89/22/1128078922.db2.gz QHORWMUWJCOMPS-INIZCTEOSA-N 0 1 299.418 3.510 20 0 CHADMN C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@@H](C2CC2)O1 ZINC000470903389 1128080196 /nfs/dbraw/zinc/08/01/96/1128080196.db2.gz HUGCTEKQQHQADL-NHYWBVRUSA-N 0 1 299.336 3.705 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1ccccc1F ZINC000470950847 1128080701 /nfs/dbraw/zinc/08/07/01/1128080701.db2.gz SOWWPDAIHRLUFX-GXSJLCMTSA-N 0 1 261.262 3.598 20 0 CHADMN C[C@@H]1CN(Cc2cc3ccccc3s2)C[C@@H](C2CC2)O1 ZINC000470926312 1128081231 /nfs/dbraw/zinc/08/12/31/1128081231.db2.gz PLCDORUHNCOIQM-WBMJQRKESA-N 0 1 287.428 3.901 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cccc(F)c1 ZINC000470948873 1128082900 /nfs/dbraw/zinc/08/29/00/1128082900.db2.gz VRGZGPPUYXGFOO-SKDRFNHKSA-N 0 1 261.262 3.598 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@H](c3ccc(C)cc3C)C2)n1 ZINC000470999821 1128085097 /nfs/dbraw/zinc/08/50/97/1128085097.db2.gz CIZQXAXUGWYUID-GJZGRUSLSA-N 0 1 299.418 3.799 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CC(C)(C)c3ccccc32)nn1C ZINC000282099862 1128089032 /nfs/dbraw/zinc/08/90/32/1128089032.db2.gz IOUUFIHCLLGMDH-DYVFJYSZSA-N 0 1 283.419 3.802 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1c(Cl)nccc1N(C)C ZINC001234096278 1128091123 /nfs/dbraw/zinc/09/11/23/1128091123.db2.gz NSOHOUXHDUDUEZ-RYUDHWBXSA-N 0 1 281.831 3.564 20 0 CHADMN C[C@H](NCCc1ccc(Cl)cc1Cl)c1ncco1 ZINC000924528148 1128102017 /nfs/dbraw/zinc/10/20/17/1128102017.db2.gz MLGQDIZWZGRNOK-VIFPVBQESA-N 0 1 285.174 3.875 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(C)cn2)c(C)s1 ZINC000682787547 1128097933 /nfs/dbraw/zinc/09/79/33/1128097933.db2.gz ACBJBRZEPYYKSF-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnnc1)c1ccc(Cl)cc1 ZINC000924543753 1128103584 /nfs/dbraw/zinc/10/35/84/1128103584.db2.gz RRJZRPDQHGLSJF-MNOVXSKESA-N 0 1 261.756 3.542 20 0 CHADMN COc1ccnc([C@@H](C)NCc2ccc(Cl)cc2)c1 ZINC000924544465 1128103695 /nfs/dbraw/zinc/10/36/95/1128103695.db2.gz ZCIWEBRPFNAKKL-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN COc1cccc([C@@H](C)N[C@H](C)c2cccc3c2OCO3)c1 ZINC000924722565 1128111598 /nfs/dbraw/zinc/11/15/98/1128111598.db2.gz GUPFMIYQBYBGQZ-CHWSQXEVSA-N 0 1 299.370 3.836 20 0 CHADMN CCCC[C@@H]1CCC[C@@H]1N[C@@H](C)c1nnc(CC)o1 ZINC000492819552 1128113817 /nfs/dbraw/zinc/11/38/17/1128113817.db2.gz SMCCXTKURQCOSU-XQQFMLRXSA-N 0 1 265.401 3.642 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccns1 ZINC000924844981 1128114442 /nfs/dbraw/zinc/11/44/42/1128114442.db2.gz CQUVCAUBEPEYLV-JGGQBBKZSA-N 0 1 288.416 3.714 20 0 CHADMN C[C@@H](NCCc1csc2ccccc12)c1ncco1 ZINC000924842101 1128114697 /nfs/dbraw/zinc/11/46/97/1128114697.db2.gz PMNGSDLSACVDIM-LLVKDONJSA-N 0 1 272.373 3.783 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(F)c(F)c2)cc(C)c1O ZINC000492877381 1128116223 /nfs/dbraw/zinc/11/62/23/1128116223.db2.gz GUXOTZUARVYVQF-UHFFFAOYSA-N 0 1 291.341 3.919 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)C1CCC1)c1cn(C)cn1 ZINC000924941428 1128117546 /nfs/dbraw/zinc/11/75/46/1128117546.db2.gz CIZADKOYOFZZRU-GUYCJALGSA-N 0 1 269.392 3.612 20 0 CHADMN COc1ccccc1[C@H](NCCCC1CC1)c1ccccn1 ZINC000925437465 1128129485 /nfs/dbraw/zinc/12/94/85/1128129485.db2.gz NXOQYECGYWEPIE-IBGZPJMESA-N 0 1 296.414 3.959 20 0 CHADMN COc1cc([C@@H](C)NC[C@H](C)Sc2ccccc2)on1 ZINC000925164884 1128124582 /nfs/dbraw/zinc/12/45/82/1128124582.db2.gz XLQMDIMOHQDKCN-NWDGAFQWSA-N 0 1 292.404 3.515 20 0 CHADMN CCC[C@H](N[C@H]1CCC1(OC)OC)c1ccc(F)cc1F ZINC000925265092 1128127060 /nfs/dbraw/zinc/12/70/60/1128127060.db2.gz QMFBSUUYLGLALU-GJZGRUSLSA-N 0 1 299.361 3.547 20 0 CHADMN CC[C@H](C)[C@H](C)N1CCc2c(ncn2-c2ccccc2)C1 ZINC001168448343 1128127866 /nfs/dbraw/zinc/12/78/66/1128127866.db2.gz OCQAGHFOFGXTKH-GJZGRUSLSA-N 0 1 283.419 3.665 20 0 CHADMN COc1ccc(C)cc1CN[C@H](C)c1cnn(C2CCC2)c1 ZINC000925304128 1128128128 /nfs/dbraw/zinc/12/81/28/1128128128.db2.gz FTEKRPFSYWJJOR-CQSZACIVSA-N 0 1 299.418 3.776 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H](C)c1cc(O)cc(F)c1 ZINC000925293601 1128128344 /nfs/dbraw/zinc/12/83/44/1128128344.db2.gz MKDPNOWPHHOBGS-VXGBXAGGSA-N 0 1 274.339 3.647 20 0 CHADMN CC(C)c1nc([C@H](C)NC2CC3(C2)CO[C@H](C)C3)cs1 ZINC000925447391 1128129477 /nfs/dbraw/zinc/12/94/77/1128129477.db2.gz XCUXHNHWKJLZHP-MAHYQRQESA-N 0 1 294.464 3.875 20 0 CHADMN COc1ccnc([C@@H](C)N[C@@H](C)c2ccc(F)c(C)c2)c1 ZINC000925505570 1128130427 /nfs/dbraw/zinc/13/04/27/1128130427.db2.gz QBYABVHVRFOTRS-QWHCGFSZSA-N 0 1 288.366 3.950 20 0 CHADMN CC1(C)C[C@H](CNc2cc(OCc3ccccc3)ccn2)O1 ZINC001168450451 1128130550 /nfs/dbraw/zinc/13/05/50/1128130550.db2.gz AWCJSRPKLHZFDG-MRXNPFEDSA-N 0 1 298.386 3.640 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2Nc1cnn(-c2ccncc2)c1 ZINC000777565877 1128132552 /nfs/dbraw/zinc/13/25/52/1128132552.db2.gz HTVPNFJGYUSOSX-SFHVURJKSA-N 0 1 290.370 3.675 20 0 CHADMN CS[C@H](C)CN[C@H](c1cccc(C)c1)c1ccccn1 ZINC000925602898 1128133706 /nfs/dbraw/zinc/13/37/06/1128133706.db2.gz YOOUJCHQTUQNIM-RHSMWYFYSA-N 0 1 286.444 3.821 20 0 CHADMN COc1cc(C)cc(CN[C@H](C)c2cnn(C3CCC3)c2)c1 ZINC000925603791 1128134342 /nfs/dbraw/zinc/13/43/42/1128134342.db2.gz ROSFCZAZXMBQGL-CQSZACIVSA-N 0 1 299.418 3.776 20 0 CHADMN Cc1oc2ccccc2c1[C@H](C)NCc1cnn(C)c1C ZINC000925637726 1128134682 /nfs/dbraw/zinc/13/46/82/1128134682.db2.gz QQUDMWFVLPDYLD-NSHDSACASA-N 0 1 283.375 3.634 20 0 CHADMN C[C@@H](NCC1(c2ccccc2Cl)CC1)c1ncco1 ZINC000925663091 1128136057 /nfs/dbraw/zinc/13/60/57/1128136057.db2.gz PDIBICFTOQNZQR-LLVKDONJSA-N 0 1 276.767 3.710 20 0 CHADMN C[C@@H](NCC(C)(C)C1CCCCC1)c1ncco1 ZINC000925666851 1128136311 /nfs/dbraw/zinc/13/63/11/1128136311.db2.gz OEPMVHTVGGQNIQ-GFCCVEGCSA-N 0 1 250.386 3.932 20 0 CHADMN CSC1CC(N[C@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000925662216 1128136348 /nfs/dbraw/zinc/13/63/48/1128136348.db2.gz GZPWBUGNDUQTTR-LEOMRAHMSA-N 0 1 298.455 3.963 20 0 CHADMN C[C@H](NC[C@@]1(C)CCCc2ccccc21)c1ncco1 ZINC000925685081 1128137178 /nfs/dbraw/zinc/13/71/78/1128137178.db2.gz FNPMVHVXHHELJP-SUMWQHHRSA-N 0 1 270.376 3.619 20 0 CHADMN C[C@@H](NC1(c2ccccc2F)CC1)C1(Cl)CC1 ZINC000925883228 1128145597 /nfs/dbraw/zinc/14/55/97/1128145597.db2.gz HACPADYOOYPSQI-SNVBAGLBSA-N 0 1 253.748 3.564 20 0 CHADMN COc1cc(CN[C@H](C)c2ccccc2OC)ccc1F ZINC001118928636 1131242225 /nfs/dbraw/zinc/24/22/25/1131242225.db2.gz RTEBUIVNABRODL-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN Cc1ccc(C2(N[C@@H](C)Cc3cccc(F)c3)COC2)cc1 ZINC001168459990 1128152715 /nfs/dbraw/zinc/15/27/15/1128152715.db2.gz PJWUKJRXPTXIJJ-HNNXBMFYSA-N 0 1 299.389 3.580 20 0 CHADMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)c1ccns1 ZINC000926100363 1128154714 /nfs/dbraw/zinc/15/47/14/1128154714.db2.gz KXSMHQKJCKUOQK-JTQLQIEISA-N 0 1 279.384 3.517 20 0 CHADMN C[C@H]1CCN(Cc2cccc(Cl)c2F)CCS1 ZINC000494076385 1128156127 /nfs/dbraw/zinc/15/61/27/1128156127.db2.gz ABFCKCYOSIVHSI-JTQLQIEISA-N 0 1 273.804 3.807 20 0 CHADMN Cc1csc([C@@H](C)CN[C@@H]2CCCc3oc(C)nc32)n1 ZINC000926151774 1128157212 /nfs/dbraw/zinc/15/72/12/1128157212.db2.gz WJRAETMHPDHWEX-JOYOIKCWSA-N 0 1 291.420 3.519 20 0 CHADMN CCCc1csc(CN[C@@H]2C[C@H](OCC)C23CCC3)n1 ZINC000494104971 1128157493 /nfs/dbraw/zinc/15/74/93/1128157493.db2.gz GHXWDWQUQDMLME-KGLIPLIRSA-N 0 1 294.464 3.533 20 0 CHADMN CSCc1cccc(CN[C@@H](C)c2ccns2)c1 ZINC000926233381 1128162364 /nfs/dbraw/zinc/16/23/64/1128162364.db2.gz BAZFAUBAOQZLGM-NSHDSACASA-N 0 1 278.446 3.857 20 0 CHADMN C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)CC1OCCO1 ZINC000777591005 1128163233 /nfs/dbraw/zinc/16/32/33/1128163233.db2.gz SCKGYANWWSTAKW-HNNXBMFYSA-N 0 1 297.398 3.719 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN[C@@H](C)c1ccnnc1 ZINC000926246924 1128163276 /nfs/dbraw/zinc/16/32/76/1128163276.db2.gz RAAPDGMZSAPYAA-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN Cc1cscc1CN[C@@H](C)c1cnn(C2CCC2)c1 ZINC000926300875 1128166036 /nfs/dbraw/zinc/16/60/36/1128166036.db2.gz DOXNASPMLWTPDI-LBPRGKRZSA-N 0 1 275.421 3.829 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1ccc(F)cn1 ZINC000494240801 1128167557 /nfs/dbraw/zinc/16/75/57/1128167557.db2.gz HFGDOQGELAKZSI-UVTDQMKNSA-N 0 1 270.351 3.756 20 0 CHADMN Cc1nonc1[C@@H](C)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000926344007 1128167887 /nfs/dbraw/zinc/16/78/87/1128167887.db2.gz VLKSHVIYYYUPMY-GAJTVXKRSA-N 0 1 291.782 3.628 20 0 CHADMN Cc1nonc1[C@H](C)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000926339552 1128168132 /nfs/dbraw/zinc/16/81/32/1128168132.db2.gz HELQSGAAGNPBST-ZBINZKHDSA-N 0 1 289.354 3.504 20 0 CHADMN CC[C@H](N[C@H](C)c1ccsc1)c1cccc(OC)n1 ZINC000926368515 1128170054 /nfs/dbraw/zinc/17/00/54/1128170054.db2.gz DBCOHFIFNCOBKJ-YPMHNXCESA-N 0 1 276.405 3.954 20 0 CHADMN C(=C\c1ccncc1)\CN1CC[C@@H]1c1ccccc1 ZINC000494367333 1128170909 /nfs/dbraw/zinc/17/09/09/1128170909.db2.gz JCVRXLWEBPLABU-VGOKWCNXSA-N 0 1 250.345 3.542 20 0 CHADMN C[C@@H](NC[C@@H]1CCCCC(F)(F)C1)c1ncco1 ZINC000926469473 1128173503 /nfs/dbraw/zinc/17/35/03/1128173503.db2.gz MJVVMXDRIPVHLL-GHMZBOCLSA-N 0 1 258.312 3.541 20 0 CHADMN CC(C)c1nc(CN[C@@H](C)c2coc3ccccc23)n[nH]1 ZINC000926505599 1128176281 /nfs/dbraw/zinc/17/62/81/1128176281.db2.gz IGKSWTAPCVZPTJ-NSHDSACASA-N 0 1 284.363 3.525 20 0 CHADMN Fc1cncc(CNCc2cccc(-c3ccccn3)c2)c1 ZINC000494562401 1128178297 /nfs/dbraw/zinc/17/82/97/1128178297.db2.gz GINMPRXTYYDJAW-UHFFFAOYSA-N 0 1 293.345 3.573 20 0 CHADMN CCN(CCC(F)(F)F)C[C@@H](OC)c1ccccc1 ZINC000670073782 1128180045 /nfs/dbraw/zinc/18/00/45/1128180045.db2.gz KVDAVRACTJMBGV-CYBMUJFWSA-N 0 1 275.314 3.648 20 0 CHADMN COc1ccnc([C@@H](C)N[C@@H](C)c2cccc(C)c2)c1 ZINC000926555452 1128180665 /nfs/dbraw/zinc/18/06/65/1128180665.db2.gz OGMHKGQDLWEAHQ-UONOGXRCSA-N 0 1 270.376 3.810 20 0 CHADMN CCC[C@H](NC[C@@H]1CC[C@@H](C)O1)c1ncccc1Cl ZINC000926560715 1128180823 /nfs/dbraw/zinc/18/08/23/1128180823.db2.gz VSHSQRLNJFDDDH-DYEKYZERSA-N 0 1 282.815 3.733 20 0 CHADMN COc1cccc2cc([C@@H](C)N[C@@H](C)c3cn[nH]c3)oc21 ZINC000224763922 1128182842 /nfs/dbraw/zinc/18/28/42/1128182842.db2.gz OKIVPZUNGBZQFL-WDEREUQCSA-N 0 1 285.347 3.576 20 0 CHADMN c1ccc([C@@H](N[C@H]2COCc3ccccc32)C2CCC2)nc1 ZINC000926602286 1128183546 /nfs/dbraw/zinc/18/35/46/1128183546.db2.gz YDXCPBYRPHAMPU-OALUTQOASA-N 0 1 294.398 3.784 20 0 CHADMN Cc1ccc([C@@H](N[C@@H]2C=CCC2)c2ccccn2)cc1 ZINC000926691054 1128187595 /nfs/dbraw/zinc/18/75/95/1128187595.db2.gz QXTKVULXFGUORD-SJLPKXTDSA-N 0 1 264.372 3.788 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1ccnnc1)c1ccccc1F ZINC000926692364 1128188521 /nfs/dbraw/zinc/18/85/21/1128188521.db2.gz IALUUZQGIQHTSV-LRDDRELGSA-N 0 1 273.355 3.664 20 0 CHADMN FC(F)Oc1ccc(Cl)cc1CN1CCC[C@@H]2C[C@@H]21 ZINC001234441351 1128188924 /nfs/dbraw/zinc/18/89/24/1128188924.db2.gz NMMQCOSYOYXIHA-SKDRFNHKSA-N 0 1 287.737 3.926 20 0 CHADMN CC(C)[C@@H](O)[C@@H](N[C@@H](C)c1ccns1)c1ccccc1 ZINC000926715098 1128190175 /nfs/dbraw/zinc/19/01/75/1128190175.db2.gz KXBZGZTUTNDDDZ-VBNZEHGJSA-N 0 1 290.432 3.552 20 0 CHADMN C[C@@H](NC[C@@]1(c2ccccc2)CC1(C)C)c1ncco1 ZINC000926734407 1128191548 /nfs/dbraw/zinc/19/15/48/1128191548.db2.gz OQSOWXAORWSRAK-CXAGYDPISA-N 0 1 270.376 3.693 20 0 CHADMN C[C@H]1C[C@H](NCCCCCCc2ccccc2)c2ncnn21 ZINC000926742664 1128191619 /nfs/dbraw/zinc/19/16/19/1128191619.db2.gz AWOSAODLULYDDS-RDJZCZTQSA-N 0 1 298.434 3.677 20 0 CHADMN CC(C)(C)n1ncnc1CN1CCC[C@@H]1CC1CCCC1 ZINC000653893170 1128191679 /nfs/dbraw/zinc/19/16/79/1128191679.db2.gz VTKAJTHZHVCDPT-OAHLLOKOSA-N 0 1 290.455 3.578 20 0 CHADMN CC(C)n1cc(CN[C@H](C)c2cccc(Cl)c2)cn1 ZINC000226237966 1128192030 /nfs/dbraw/zinc/19/20/30/1128192030.db2.gz LCQFKBAIHIOFPO-GFCCVEGCSA-N 0 1 277.799 3.968 20 0 CHADMN CC(C)n1cc(CN[C@@H]2CCSc3ccccc32)cn1 ZINC000226239034 1128192041 /nfs/dbraw/zinc/19/20/41/1128192041.db2.gz BVPOAJJXHGCFRB-OAHLLOKOSA-N 0 1 287.432 3.791 20 0 CHADMN CC[C@H](N[C@H](C)c1cn(C)cn1)c1cc(C)ccc1C ZINC000926768345 1128192545 /nfs/dbraw/zinc/19/25/45/1128192545.db2.gz SWAPMGSURNCBDH-ZBFHGGJFSA-N 0 1 271.408 3.839 20 0 CHADMN C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1cc(-c2ccccc2)no1 ZINC000926767324 1128192996 /nfs/dbraw/zinc/19/29/96/1128192996.db2.gz JPXGWXIPVGEAQL-QITLCBANSA-N 0 1 298.386 3.560 20 0 CHADMN F[C@@H]1CCCC[C@@H]1N[C@H]1CCc2c1nccc2Cl ZINC000926787710 1128194025 /nfs/dbraw/zinc/19/40/25/1128194025.db2.gz ZXRGQWMRILOPDG-AGIUHOORSA-N 0 1 268.763 3.593 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](C)c2cc(O)cc(F)c2)s1 ZINC000926785147 1128194455 /nfs/dbraw/zinc/19/44/55/1128194455.db2.gz JPWNFBRKEVILEQ-IUCAKERBSA-N 0 1 280.368 3.708 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cc3ccccc3[nH]2)o1 ZINC000926789898 1128194854 /nfs/dbraw/zinc/19/48/54/1128194854.db2.gz WXXKLWWMHISMDJ-GFCCVEGCSA-N 0 1 254.333 3.920 20 0 CHADMN COc1ccc2c(c1)OCCN([C@H]1CCc3ccccc31)C2 ZINC000670098448 1128196642 /nfs/dbraw/zinc/19/66/42/1128196642.db2.gz GSOGBFXNGGSIKT-SFHVURJKSA-N 0 1 295.382 3.577 20 0 CHADMN Cc1ccc(CNC2(C(=O)Nc3ccccc3)CC2)cc1C ZINC000495198000 1128245262 /nfs/dbraw/zinc/24/52/62/1128245262.db2.gz ZKANZUZMPQUPSG-UHFFFAOYSA-N 0 1 294.398 3.564 20 0 CHADMN CCC[C@@H](C)c1noc(-c2cc(-c3ccc(C)o3)n[nH]2)n1 ZINC000761845164 1128245480 /nfs/dbraw/zinc/24/54/80/1128245480.db2.gz OPLRJLANJKAFEU-SECBINFHSA-N 0 1 286.335 3.932 20 0 CHADMN C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(CF)cc1 ZINC000777714659 1128253359 /nfs/dbraw/zinc/25/33/59/1128253359.db2.gz YJDCHUMGBZDJGM-ZDUSSCGKSA-N 0 1 258.340 3.744 20 0 CHADMN C[C@@H](c1cccnc1)N(C)Cc1ccc(CF)cc1 ZINC000777714659 1128253363 /nfs/dbraw/zinc/25/33/63/1128253363.db2.gz YJDCHUMGBZDJGM-ZDUSSCGKSA-N 0 1 258.340 3.744 20 0 CHADMN CC1CCN(Cc2cccnc2OCc2ccccc2)CC1 ZINC001238773411 1131242575 /nfs/dbraw/zinc/24/25/75/1131242575.db2.gz YHVAQWLWOBKIPH-UHFFFAOYSA-N 0 1 296.414 3.893 20 0 CHADMN Cc1nc(C)c(C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)[nH]1 ZINC000929093493 1128257349 /nfs/dbraw/zinc/25/73/49/1128257349.db2.gz SJUYJYSQRQMDRD-LBPRGKRZSA-N 0 1 283.375 3.966 20 0 CHADMN Cc1nc(C)c(CN(C)[C@@H](C)c2cc3ccccc3o2)[nH]1 ZINC000929093493 1128257351 /nfs/dbraw/zinc/25/73/51/1128257351.db2.gz SJUYJYSQRQMDRD-LBPRGKRZSA-N 0 1 283.375 3.966 20 0 CHADMN CCN(Cc1cccs1)[C@H](C)c1ccc(F)nc1 ZINC000929134006 1128259577 /nfs/dbraw/zinc/25/95/77/1128259577.db2.gz ZQQOEDRQTGHUBV-LLVKDONJSA-N 0 1 264.369 3.865 20 0 CHADMN Cc1nc(C)c(CN2CC=C(c3ccc(C)cc3)CC2)[nH]1 ZINC000929147753 1128261016 /nfs/dbraw/zinc/26/10/16/1128261016.db2.gz QIVPURHVIXFHPK-UHFFFAOYSA-N 0 1 281.403 3.624 20 0 CHADMN Cc1cc(CN(C)Cc2ccc3ccccc3c2)c(C)nn1 ZINC000929179384 1128262550 /nfs/dbraw/zinc/26/25/50/1128262550.db2.gz NAWLCBBQUQPPDI-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN c1ccc2sc([C@H]3CCCN3CCOC3CC3)nc2c1 ZINC000929209919 1128263708 /nfs/dbraw/zinc/26/37/08/1128263708.db2.gz UIOBJFJCLQWBNW-CQSZACIVSA-N 0 1 288.416 3.612 20 0 CHADMN CC[C@H](N[C@H](C)c1cnn(C)n1)c1cccc2ccccc21 ZINC000926877286 1128199712 /nfs/dbraw/zinc/19/97/12/1128199712.db2.gz MVVGEZSPYRHEFW-DYVFJYSZSA-N 0 1 294.402 3.770 20 0 CHADMN C[C@H](N[C@H](c1ccccn1)C1CC1)c1cnn(C2CCC2)c1 ZINC000926895079 1128200501 /nfs/dbraw/zinc/20/05/01/1128200501.db2.gz CULGXOOUTCHVTP-UGSOOPFHSA-N 0 1 296.418 3.805 20 0 CHADMN C[C@@H](N[C@H](c1ccccn1)C1CC1)c1cnn(C2CCC2)c1 ZINC000926895076 1128200640 /nfs/dbraw/zinc/20/06/40/1128200640.db2.gz CULGXOOUTCHVTP-ACJLOTCBSA-N 0 1 296.418 3.805 20 0 CHADMN CCc1ccc2ccccc2c1CN[C@@H](C)c1cn(C)cn1 ZINC000926933727 1128204048 /nfs/dbraw/zinc/20/40/48/1128204048.db2.gz YESJZSFGNRDGNK-AWEZNQCLSA-N 0 1 293.414 3.987 20 0 CHADMN Cc1cnc(CN[C@H]2CSCCc3ccccc32)c(C)c1 ZINC000926955746 1128205954 /nfs/dbraw/zinc/20/59/54/1128205954.db2.gz WPOPXBMYCLNDDB-SFHVURJKSA-N 0 1 298.455 3.819 20 0 CHADMN CC(C)[C@H](N[C@H]1CCCc2cccnc21)c1ccccn1 ZINC000927061129 1128212097 /nfs/dbraw/zinc/21/20/97/1128212097.db2.gz BFNJKUOKGLCRAD-IRXDYDNUSA-N 0 1 281.403 3.841 20 0 CHADMN CN(Cc1cc(Cl)cs1)[C@@H](CCO)c1ccccc1 ZINC000494934328 1128212856 /nfs/dbraw/zinc/21/28/56/1128212856.db2.gz GXFNGPMMYPATQQ-HNNXBMFYSA-N 0 1 295.835 3.957 20 0 CHADMN CCC[C@H](N[C@@H]1CCCc2cccnc21)c1cccnc1 ZINC000927061987 1128213372 /nfs/dbraw/zinc/21/33/72/1128213372.db2.gz VWCKXZPGXNLLLM-DLBZAZTESA-N 0 1 281.403 3.985 20 0 CHADMN CCC[C@H](C)NCc1ncc(Cl)cc1Br ZINC001257308330 1128213964 /nfs/dbraw/zinc/21/39/64/1128213964.db2.gz NLBQVOZRXAMHON-QMMMGPOBSA-N 0 1 291.620 3.776 20 0 CHADMN CCC[C@@H](N[C@H]1CCCc2cccnc21)c1cccnc1 ZINC000927064503 1128214131 /nfs/dbraw/zinc/21/41/31/1128214131.db2.gz VWCKXZPGXNLLLM-SJORKVTESA-N 0 1 281.403 3.985 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](c2cnn(C)c2)C(C)C)c(C)o1 ZINC000927066239 1128214478 /nfs/dbraw/zinc/21/44/78/1128214478.db2.gz AKACGPXMNDOYHJ-WBMJQRKESA-N 0 1 275.396 3.678 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1cc2cnccc2o1)c1cnn(C)c1 ZINC000927066929 1128215136 /nfs/dbraw/zinc/21/51/36/1128215136.db2.gz PDFBEJVEPMMHFN-YVEFUNNKSA-N 0 1 298.390 3.609 20 0 CHADMN CCSc1ccc([C@@H](C)NCc2cnc(C)cn2)cc1 ZINC001168474249 1128217054 /nfs/dbraw/zinc/21/70/54/1128217054.db2.gz ILVAVZWWYJGIBW-CYBMUJFWSA-N 0 1 287.432 3.748 20 0 CHADMN C(=C\c1ccncc1)\CN1CCCC[C@@H]1c1ccco1 ZINC000494964052 1128218311 /nfs/dbraw/zinc/21/83/11/1128218311.db2.gz LWSLPUURPPLZTJ-OICCZTGUSA-N 0 1 268.360 3.915 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1NCc1cc(C2CC2)n(C)n1 ZINC000927111418 1128218598 /nfs/dbraw/zinc/21/85/98/1128218598.db2.gz BVFLYNCXRLAEKK-YJYMSZOUSA-N 0 1 295.430 3.711 20 0 CHADMN CC(C)CN(Cc1coc(C(C)(C)C)n1)C1CC1 ZINC000929256838 1128266600 /nfs/dbraw/zinc/26/66/00/1128266600.db2.gz IVPSXLZMURKZGT-UHFFFAOYSA-N 0 1 250.386 3.593 20 0 CHADMN CC(C)N(Cn1c2ccccc2oc1=S)C1CC1 ZINC000914612600 1128222069 /nfs/dbraw/zinc/22/20/69/1128222069.db2.gz HXPOYWJTKUIGRL-UHFFFAOYSA-N 0 1 262.378 3.794 20 0 CHADMN CCc1onc(C)c1CN[C@H]1c2ccccc2C[C@@H]1C ZINC000927141938 1128222263 /nfs/dbraw/zinc/22/22/63/1128222263.db2.gz ZYYFRFOEIVEQHU-APPDUMDISA-N 0 1 270.376 3.569 20 0 CHADMN CCCC1CCN(Cc2cnc(C(C)(C)C)nc2)CC1 ZINC001257312837 1128230283 /nfs/dbraw/zinc/23/02/83/1128230283.db2.gz ZVVCYEIEWAQBKN-UHFFFAOYSA-N 0 1 275.440 3.786 20 0 CHADMN CC[C@@H](NC[C@H](O)c1ccccc1C)c1nc(C)cs1 ZINC000754325893 1128231577 /nfs/dbraw/zinc/23/15/77/1128231577.db2.gz RWRNHVYVIISQQZ-CABCVRRESA-N 0 1 290.432 3.534 20 0 CHADMN CCOc1c(Cl)cccc1CN(C)C[C@@H]1CCCCO1 ZINC000495175990 1128240973 /nfs/dbraw/zinc/24/09/73/1128240973.db2.gz WANMPUKKJOAXPF-AWEZNQCLSA-N 0 1 297.826 3.740 20 0 CHADMN Fc1cccc(CN2CC(Cc3ccc(F)c(F)c3)C2)c1 ZINC000559993660 1128243165 /nfs/dbraw/zinc/24/31/65/1128243165.db2.gz ZTIKUKHMEIIVTE-UHFFFAOYSA-N 0 1 291.316 3.778 20 0 CHADMN Cc1cc(CN(Cc2cccc(F)c2)C(C)C)c(C)nn1 ZINC000929341088 1128269940 /nfs/dbraw/zinc/26/99/40/1128269940.db2.gz KMVPKJFDGCMGFZ-UHFFFAOYSA-N 0 1 287.382 3.643 20 0 CHADMN Cc1ccc([C@@H](C)c2nc(-c3ccc4[nH]cnc4c3)no2)o1 ZINC000762116489 1128271375 /nfs/dbraw/zinc/27/13/75/1128271375.db2.gz MXAWXQCSWUTGBM-SNVBAGLBSA-N 0 1 294.314 3.666 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1[nH]c(C)nc1C ZINC000929383713 1128271942 /nfs/dbraw/zinc/27/19/42/1128271942.db2.gz QZFOUCJJEDSSJM-GOSISDBHSA-N 0 1 299.418 3.545 20 0 CHADMN C[C@@H](c1ncccn1)[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000929656715 1128280112 /nfs/dbraw/zinc/28/01/12/1128280112.db2.gz JDNZWBREWHGRAY-KBPBESRZSA-N 0 1 261.413 3.686 20 0 CHADMN C[C@@H](c1ncccn1)N1CCC[C@H](C(C)(C)C)CC1 ZINC000929656715 1128280114 /nfs/dbraw/zinc/28/01/14/1128280114.db2.gz JDNZWBREWHGRAY-KBPBESRZSA-N 0 1 261.413 3.686 20 0 CHADMN Cc1nc(C)c(CN2C[C@H](C)C[C@@H]2c2cccc(F)c2)[nH]1 ZINC000929720920 1128283525 /nfs/dbraw/zinc/28/35/25/1128283525.db2.gz UGPPAELUHBGYCX-PIGZYNQJSA-N 0 1 287.382 3.749 20 0 CHADMN CCN(Cc1ccccn1)Cc1ccccc1CF ZINC000929824456 1128289042 /nfs/dbraw/zinc/28/90/42/1128289042.db2.gz KKMHVFMTQNWFQL-UHFFFAOYSA-N 0 1 258.340 3.573 20 0 CHADMN CCCCCC[C@@H](C)N1CCc2cnc(SC)nc2C1 ZINC001257372893 1128284468 /nfs/dbraw/zinc/28/44/68/1128284468.db2.gz QQLFTKPQFFVMHC-CYBMUJFWSA-N 0 1 293.480 3.916 20 0 CHADMN CC(C)(C)c1nc(CN2CCC3(CCCC3)C2)co1 ZINC000929747164 1128284541 /nfs/dbraw/zinc/28/45/41/1128284541.db2.gz BHEIJXOXFUIXCU-UHFFFAOYSA-N 0 1 262.397 3.738 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2cc(C)nnc2C)o1 ZINC000929760650 1128285546 /nfs/dbraw/zinc/28/55/46/1128285546.db2.gz VHPBDBKJRGNOCF-SJKOYZFVSA-N 0 1 299.418 3.968 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@@H]1CCCN1C(C)C ZINC000929777700 1128286664 /nfs/dbraw/zinc/28/66/64/1128286664.db2.gz CAOXVEFCGWRSPR-INIZCTEOSA-N 0 1 274.408 3.621 20 0 CHADMN CCC/C(C)=C/C(=O)Nc1cccc(-c2cn[nH]c2)c1 ZINC000762312168 1128290763 /nfs/dbraw/zinc/29/07/63/1128290763.db2.gz FMACTCBPUGHUQC-XYOKQWHBSA-N 0 1 269.348 3.762 20 0 CHADMN Cc1nc(C)c(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)[nH]1 ZINC000929890179 1128291629 /nfs/dbraw/zinc/29/16/29/1128291629.db2.gz QMQSDGOOYJHFKE-SFHVURJKSA-N 0 1 281.403 3.678 20 0 CHADMN CC(C)[C@H](C)N(C)Cn1c2ccccc2n(C)c1=S ZINC000915209691 1128292167 /nfs/dbraw/zinc/29/21/67/1128292167.db2.gz RNBLSXKZMWTMGQ-LBPRGKRZSA-N 0 1 277.437 3.643 20 0 CHADMN Cc1nc(C)c(CN([C@H](C)c2ccccc2)C2CC2)[nH]1 ZINC000929905859 1128292938 /nfs/dbraw/zinc/29/29/38/1128292938.db2.gz NIOVHPMOUIXOJA-CYBMUJFWSA-N 0 1 269.392 3.752 20 0 CHADMN S=c1ncccn1CN1CCCC[C@@H]1c1ccccc1 ZINC000762467917 1128301534 /nfs/dbraw/zinc/30/15/34/1128301534.db2.gz TXOZSYUQSMXXDE-OAHLLOKOSA-N 0 1 285.416 3.797 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1ccccc1CF ZINC000930119808 1128301833 /nfs/dbraw/zinc/30/18/33/1128301833.db2.gz RUKGQJGDOHNSGL-CYBMUJFWSA-N 0 1 258.340 3.744 20 0 CHADMN CCc1cc(CN[C@@H]2CCCc3ccc(Cl)cc32)[nH]n1 ZINC000762477041 1128302181 /nfs/dbraw/zinc/30/21/81/1128302181.db2.gz STGLQLVRWHEDHZ-MRXNPFEDSA-N 0 1 289.810 3.793 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccc(F)nc2)cc1F ZINC000930185531 1128304841 /nfs/dbraw/zinc/30/48/41/1128304841.db2.gz JHPPIKWDXWFDFP-GHMZBOCLSA-N 0 1 292.329 3.780 20 0 CHADMN C[C@H](Cc1cccc(F)c1)[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC001168491309 1128305195 /nfs/dbraw/zinc/30/51/95/1128305195.db2.gz KWSBOEHFFHMVPS-BEFAXECRSA-N 0 1 299.389 3.830 20 0 CHADMN C[C@H](Cc1cccc(F)c1)N1CCO[C@H](c2ccccc2)C1 ZINC001168491309 1128305199 /nfs/dbraw/zinc/30/51/99/1128305199.db2.gz KWSBOEHFFHMVPS-BEFAXECRSA-N 0 1 299.389 3.830 20 0 CHADMN Cc1nc(C)c(CN[C@@H](C)c2ccccc2OC(C)C)[nH]1 ZINC000930197688 1128306122 /nfs/dbraw/zinc/30/61/22/1128306122.db2.gz FCFBUJHWALJWCK-LBPRGKRZSA-N 0 1 287.407 3.665 20 0 CHADMN C[C@@H]1CCN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@@H]1F ZINC000930245974 1128310407 /nfs/dbraw/zinc/31/04/07/1128310407.db2.gz XIGCCJWPLHMBIJ-REBRKWNGSA-N 0 1 283.337 3.715 20 0 CHADMN CCC[N@@H+](CC(=O)Nc1c(C)cccc1C(C)C)C1CC1 ZINC000171682675 1128314907 /nfs/dbraw/zinc/31/49/07/1128314907.db2.gz STFKQSKQELAWEH-UHFFFAOYSA-N 0 1 288.435 3.931 20 0 CHADMN CCCN(CC(=O)Nc1c(C)cccc1C(C)C)C1CC1 ZINC000171682675 1128314910 /nfs/dbraw/zinc/31/49/10/1128314910.db2.gz STFKQSKQELAWEH-UHFFFAOYSA-N 0 1 288.435 3.931 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)N1CCOC2(CCCCC2)C1 ZINC001168494236 1128318362 /nfs/dbraw/zinc/31/83/62/1128318362.db2.gz ANNIBQZFIGRBEV-HNNXBMFYSA-N 0 1 291.410 3.792 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1ccccc1CF ZINC000930475837 1128320103 /nfs/dbraw/zinc/32/01/03/1128320103.db2.gz LXKVWNIADQCVKK-UHFFFAOYSA-N 0 1 276.355 3.786 20 0 CHADMN CC(C)c1cccc(NC(=O)[C@H]2NCCc3ccccc32)c1 ZINC000236864171 1128320637 /nfs/dbraw/zinc/32/06/37/1128320637.db2.gz AAXSFZYSHISUEC-SFHVURJKSA-N 0 1 294.398 3.636 20 0 CHADMN CCOC1(C)CCN(Cc2c(F)ccc(C)c2F)CC1 ZINC000930541801 1128324728 /nfs/dbraw/zinc/32/47/28/1128324728.db2.gz ZXOHIVUNLSPBJK-UHFFFAOYSA-N 0 1 283.362 3.664 20 0 CHADMN CCSc1ccccc1CN[C@H](C)c1cnn(CC)c1 ZINC000930657721 1128329031 /nfs/dbraw/zinc/32/90/31/1128329031.db2.gz USZPFCAQZFMZIH-CYBMUJFWSA-N 0 1 289.448 3.866 20 0 CHADMN CCSc1ccccc1CN[C@@H](C)c1cnn(CC)c1 ZINC000930657724 1128329246 /nfs/dbraw/zinc/32/92/46/1128329246.db2.gz USZPFCAQZFMZIH-ZDUSSCGKSA-N 0 1 289.448 3.866 20 0 CHADMN CCc1ncc(CSc2nc3ccc(C)cc3[nH]2)o1 ZINC000915632997 1128332098 /nfs/dbraw/zinc/33/20/98/1128332098.db2.gz XJIQHLYKWOONPQ-UHFFFAOYSA-N 0 1 273.361 3.714 20 0 CHADMN CC(C)N(Cc1cnn(CCF)c1)[C@H](C)c1ccsc1 ZINC000930751576 1128333444 /nfs/dbraw/zinc/33/34/44/1128333444.db2.gz NVCAXBMNNSMVEN-CYBMUJFWSA-N 0 1 295.427 3.886 20 0 CHADMN Cc1nc(C)c(CN2CC3(CC=CC3)[C@@H]2c2ccccc2)[nH]1 ZINC000930824323 1128336948 /nfs/dbraw/zinc/33/69/48/1128336948.db2.gz DDRZMDNSAPROGN-SFHVURJKSA-N 0 1 293.414 3.920 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000193763983 1128338600 /nfs/dbraw/zinc/33/86/00/1128338600.db2.gz YXBZMFZZVJOHPX-NEPJUHHUSA-N 0 1 291.345 3.629 20 0 CHADMN CCCCN(C(=O)c1cc(C)[nH]n1)[C@H]1CCC[C@@H](C)C1 ZINC000561597996 1128340588 /nfs/dbraw/zinc/34/05/88/1128340588.db2.gz FBKYKPPOIJKHQP-OCCSQVGLSA-N 0 1 277.412 3.539 20 0 CHADMN CCC[C@H](CC)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000930980231 1128342900 /nfs/dbraw/zinc/34/29/00/1128342900.db2.gz VGDJGONXGQEHAX-VIFPVBQESA-N 0 1 295.333 3.809 20 0 CHADMN COc1cncc(CNCc2ccc(C(C)(C)C)s2)c1 ZINC000699802781 1128347192 /nfs/dbraw/zinc/34/71/92/1128347192.db2.gz HKUHFDKSXCCDCN-UHFFFAOYSA-N 0 1 290.432 3.739 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000931160657 1128350490 /nfs/dbraw/zinc/35/04/90/1128350490.db2.gz WNDMIWXAEHGCMD-OUAUKWLOSA-N 0 1 272.314 3.505 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000931160656 1128350799 /nfs/dbraw/zinc/35/07/99/1128350799.db2.gz WNDMIWXAEHGCMD-GMTAPVOTSA-N 0 1 272.314 3.505 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(C)nc1 ZINC001203520300 1128352286 /nfs/dbraw/zinc/35/22/86/1128352286.db2.gz POCFVPQUULFTEG-UHFFFAOYSA-N 0 1 265.316 3.690 20 0 CHADMN O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)C1CC1 ZINC000075005481 1128355690 /nfs/dbraw/zinc/35/56/90/1128355690.db2.gz GNEUNAVTFFAXCV-UHFFFAOYSA-N 0 1 277.327 3.578 20 0 CHADMN Cc1ccc(CN(C)[C@H](C)C(=O)Nc2ccccc2C)cc1 ZINC000025221152 1128356989 /nfs/dbraw/zinc/35/69/89/1128356989.db2.gz WYHMHEUICGMJFU-MRXNPFEDSA-N 0 1 296.414 3.762 20 0 CHADMN Cc1nnsc1[C@H](C)N[C@H](C)c1ccc(F)cc1C ZINC000932562215 1128414491 /nfs/dbraw/zinc/41/44/91/1128414491.db2.gz IREZHPLUJCKJEE-ZJUUUORDSA-N 0 1 279.384 3.706 20 0 CHADMN CC[C@@H]1C[C@H]1CN1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931388740 1128359192 /nfs/dbraw/zinc/35/91/92/1128359192.db2.gz VCXJNHXVTBBHET-IAISJRAMSA-N 0 1 299.393 3.542 20 0 CHADMN CC(C)CCN1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931388344 1128359312 /nfs/dbraw/zinc/35/93/12/1128359312.db2.gz UNTZORZGWSNOAL-QGZVFWFLSA-N 0 1 287.382 3.542 20 0 CHADMN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1nc(C)sc1C ZINC000648857948 1128359723 /nfs/dbraw/zinc/35/97/23/1128359723.db2.gz GXFPQTXOSJVHAI-ZLKJLUDKSA-N 0 1 282.453 3.758 20 0 CHADMN C[C@@H]1CN([C@H]2CCCc3ccc(F)cc32)Cc2c[nH]nc21 ZINC000931460857 1128363381 /nfs/dbraw/zinc/36/33/81/1128363381.db2.gz NKEVWTCCWRWCBO-BZNIZROVSA-N 0 1 285.366 3.546 20 0 CHADMN Fc1ccc(/C=C/CN2CCOC3(CCCC3)C2)cc1F ZINC000561950176 1128364340 /nfs/dbraw/zinc/36/43/40/1128364340.db2.gz QJJZLERZPCABQR-ONEGZZNKSA-N 0 1 293.357 3.623 20 0 CHADMN Cc1occc1CN(C)Cc1ccc(F)c2cccnc12 ZINC000055054825 1128366154 /nfs/dbraw/zinc/36/61/54/1128366154.db2.gz GYRYWMSGNTYECD-UHFFFAOYSA-N 0 1 284.334 3.907 20 0 CHADMN Cc1ccc(CN2CCCC[C@@H]2c2cc[nH]n2)c(C)c1 ZINC000561967092 1128366400 /nfs/dbraw/zinc/36/64/00/1128366400.db2.gz FSTCXYNGVBLVOC-QGZVFWFLSA-N 0 1 269.392 3.754 20 0 CHADMN CC(C)CCCCCC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000763191556 1128370036 /nfs/dbraw/zinc/37/00/36/1128370036.db2.gz COEKBEZPFSZZJE-ZDUSSCGKSA-N 0 1 294.443 3.712 20 0 CHADMN CCCCCC[C@H](C)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000763190445 1128370400 /nfs/dbraw/zinc/37/04/00/1128370400.db2.gz YLKJVMAKDSRAAC-QWHCGFSZSA-N 0 1 294.443 3.712 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000763199527 1128373284 /nfs/dbraw/zinc/37/32/84/1128373284.db2.gz CLKZZUAJOOAKFY-STQMWFEESA-N 0 1 294.443 3.541 20 0 CHADMN CCN(C(=O)c1cc(C)[nH]n1)[C@H](C)c1cc2ccccc2o1 ZINC000055605004 1128373474 /nfs/dbraw/zinc/37/34/74/1128373474.db2.gz CMMQGTCOMWDVQQ-GFCCVEGCSA-N 0 1 297.358 3.688 20 0 CHADMN C[C@H](CN1CCO[C@@H](c2ccsc2)C1)C(C)(C)C ZINC000670265077 1128375535 /nfs/dbraw/zinc/37/55/35/1128375535.db2.gz KUMORFWMQSSPLS-TZMCWYRMSA-N 0 1 267.438 3.804 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2snnc2C)cc1C ZINC000932570951 1128415727 /nfs/dbraw/zinc/41/57/27/1128415727.db2.gz IMHQOSDHMBULGG-WDEREUQCSA-N 0 1 291.420 3.575 20 0 CHADMN Cc1nc2cc(N[C@@H](C)Cc3ccoc3)ccc2n1C ZINC000562654477 1128416375 /nfs/dbraw/zinc/41/63/75/1128416375.db2.gz PIMKUQKOHJBCJO-NSHDSACASA-N 0 1 269.348 3.518 20 0 CHADMN CCCC(=O)OC[C@]1(F)CCN([C@H](C)c2ccccc2)C1 ZINC000763264266 1128386175 /nfs/dbraw/zinc/38/61/75/1128386175.db2.gz HEWVPYWTQFWGED-PBHICJAKSA-N 0 1 293.382 3.505 20 0 CHADMN C[C@@H](c1ccncc1)[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931913926 1128387330 /nfs/dbraw/zinc/38/73/30/1128387330.db2.gz JELNQRHVIBKIHF-CMPLNLGQSA-N 0 1 288.288 3.509 20 0 CHADMN Cc1nc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)sc1C ZINC000931922695 1128387769 /nfs/dbraw/zinc/38/77/69/1128387769.db2.gz NHHUHNDEAZNGSY-WBVHZDCISA-N 0 1 284.428 3.533 20 0 CHADMN Cc1nc([C@H]2CCN([C@@H](C)c3cccc(Cl)c3)C2)no1 ZINC000931945306 1128389506 /nfs/dbraw/zinc/38/95/06/1128389506.db2.gz ZJUAAFOSWGVAHR-GWCFXTLKSA-N 0 1 291.782 3.582 20 0 CHADMN CC(C)(C)OC[C@H]1CCCN1Cc1ncccc1Cl ZINC000932169806 1128397411 /nfs/dbraw/zinc/39/74/11/1128397411.db2.gz WPIIUMXPJMDXRC-GFCCVEGCSA-N 0 1 282.815 3.515 20 0 CHADMN CC(C)(C)OC[C@H]1CCCN1Cc1cccc(Cl)n1 ZINC000932163961 1128397668 /nfs/dbraw/zinc/39/76/68/1128397668.db2.gz RJNTZKZOVQORCI-CYBMUJFWSA-N 0 1 282.815 3.515 20 0 CHADMN Cl/C=C\CN1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932193159 1128399480 /nfs/dbraw/zinc/39/94/80/1128399480.db2.gz DELBYXUZNLLWPZ-KGHNQEBZSA-N 0 1 282.840 3.564 20 0 CHADMN CC(C)CN1CCC[C@H]1c1cncc(Br)c1 ZINC000932255877 1128402173 /nfs/dbraw/zinc/40/21/73/1128402173.db2.gz PZEQYMBEQBSKJF-ZDUSSCGKSA-N 0 1 283.213 3.637 20 0 CHADMN C(=C/c1ccccc1)\CCN[C@H](c1ncccn1)C1CC1 ZINC000932356954 1128405204 /nfs/dbraw/zinc/40/52/04/1128405204.db2.gz UVHNRPGSMCPRGR-QVNOTHCHSA-N 0 1 279.387 3.621 20 0 CHADMN c1nc(C2CC2)sc1CN1CCSC[C@@H]1C1CCC1 ZINC000562812463 1128421327 /nfs/dbraw/zinc/42/13/27/1128421327.db2.gz ZMJJEGUXYQRHOB-CQSZACIVSA-N 0 1 294.489 3.738 20 0 CHADMN FC(F)(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC000932796797 1128421412 /nfs/dbraw/zinc/42/14/12/1128421412.db2.gz BTYDFUULBNKZGB-AGUYFDCRSA-N 0 1 284.325 3.777 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC(O)(C2CCC2)CC1 ZINC000932821182 1128422295 /nfs/dbraw/zinc/42/22/95/1128422295.db2.gz GFIZSOONQRMJJD-GFCCVEGCSA-N 0 1 295.373 3.653 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC(O)(C2CCC2)CC1 ZINC000932821324 1128422696 /nfs/dbraw/zinc/42/26/96/1128422696.db2.gz LXZITOAHRSKGEA-LBPRGKRZSA-N 0 1 295.373 3.653 20 0 CHADMN CCc1ccc(NC(=O)c2cn[nH]c2C(C)(C)C)cc1C ZINC000496897415 1128427684 /nfs/dbraw/zinc/42/76/84/1128427684.db2.gz PIHFSOKSWXRZFK-UHFFFAOYSA-N 0 1 285.391 3.830 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)C[C@@H](O)c2ccccc2)cs1 ZINC000763396925 1128431422 /nfs/dbraw/zinc/43/14/22/1128431422.db2.gz FTUSMVWKLZELPS-MQIPJXDCSA-N 0 1 290.432 3.614 20 0 CHADMN Fc1ccc(CNCc2ccccc2C(F)(F)F)cn1 ZINC000778161012 1128431610 /nfs/dbraw/zinc/43/16/10/1128431610.db2.gz HUZJBBLINVLVAR-UHFFFAOYSA-N 0 1 284.256 3.529 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCCC[C@@H]1C ZINC000037386213 1128431590 /nfs/dbraw/zinc/43/15/90/1128431590.db2.gz ZCBSQPWOTBFNOW-ZDUSSCGKSA-N 0 1 275.392 3.662 20 0 CHADMN CC(C)(C)Oc1ccc(CNCc2ccc(F)nc2)cc1 ZINC000778164705 1128433660 /nfs/dbraw/zinc/43/36/60/1128433660.db2.gz NOMPUYBWUUBSDV-UHFFFAOYSA-N 0 1 288.366 3.688 20 0 CHADMN C[N@@H+](Cc1cccc(=O)[nH]1)[C@H]1CCc2cc(Cl)ccc21 ZINC000933400882 1128434566 /nfs/dbraw/zinc/43/45/66/1128434566.db2.gz BKCYRTKZUCRKRN-HNNXBMFYSA-N 0 1 288.778 3.560 20 0 CHADMN CN(Cc1cccc(=O)[nH]1)[C@H]1CCc2cc(Cl)ccc21 ZINC000933400882 1128434568 /nfs/dbraw/zinc/43/45/68/1128434568.db2.gz BKCYRTKZUCRKRN-HNNXBMFYSA-N 0 1 288.778 3.560 20 0 CHADMN C[N@@H+](Cc1cccc(=O)[nH]1)[C@H]1CCc2c1cccc2Cl ZINC000933397593 1128434652 /nfs/dbraw/zinc/43/46/52/1128434652.db2.gz FJTYLLCTDJSQPV-HNNXBMFYSA-N 0 1 288.778 3.560 20 0 CHADMN CN(Cc1cccc(=O)[nH]1)[C@H]1CCc2c1cccc2Cl ZINC000933397593 1128434654 /nfs/dbraw/zinc/43/46/54/1128434654.db2.gz FJTYLLCTDJSQPV-HNNXBMFYSA-N 0 1 288.778 3.560 20 0 CHADMN C[C@@H](NCc1cccnc1Cl)c1ccc2c(c1)CCO2 ZINC000933490403 1128436320 /nfs/dbraw/zinc/43/63/20/1128436320.db2.gz YHDPBUIKBIXZGP-LLVKDONJSA-N 0 1 288.778 3.521 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(F)nc1F ZINC001203524926 1128436578 /nfs/dbraw/zinc/43/65/78/1128436578.db2.gz IDWSVPLHQFNOKS-UHFFFAOYSA-N 0 1 287.269 3.660 20 0 CHADMN CC[C@H]1CCCCN1Cc1csc(-c2ccccn2)n1 ZINC000124156284 1128442520 /nfs/dbraw/zinc/44/25/20/1128442520.db2.gz JAXRUALWZVTVNX-AWEZNQCLSA-N 0 1 287.432 3.970 20 0 CHADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)[C@]12C[C@H]1CCC2 ZINC000562947398 1128442646 /nfs/dbraw/zinc/44/26/46/1128442646.db2.gz WRSIVBNXBQVJNQ-ANRSDYALSA-N 0 1 291.301 3.629 20 0 CHADMN Cc1cnc([C@@H](C)N(C)Cc2c(C)cccc2C)cn1 ZINC000933763914 1128442889 /nfs/dbraw/zinc/44/28/89/1128442889.db2.gz HJRCGYSFEAJSEU-OAHLLOKOSA-N 0 1 269.392 3.595 20 0 CHADMN COC(=O)c1oc([C@H](C)N(C)Cc2ccccc2)cc1C ZINC000124624613 1128445424 /nfs/dbraw/zinc/44/54/24/1128445424.db2.gz DXIRTTCZTCRNEQ-ZDUSSCGKSA-N 0 1 287.359 3.568 20 0 CHADMN Clc1ncc(CN2CCCSC[C@@H]2C2CC2)s1 ZINC000933915292 1128447103 /nfs/dbraw/zinc/44/71/03/1128447103.db2.gz VGRJRRBFGYOKCL-LLVKDONJSA-N 0 1 288.869 3.514 20 0 CHADMN Cc1cc(-c2c(F)cc(F)c(O)c2F)cc2[nH]cnc21 ZINC001235996871 1128447374 /nfs/dbraw/zinc/44/73/74/1128447374.db2.gz ZKNDXLJOEZZYRM-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN c1csc(-c2noc(C[N@@H+](C3CC3)C3CCCC3)n2)c1 ZINC000064808543 1128451623 /nfs/dbraw/zinc/45/16/23/1128451623.db2.gz HQVADUHEXBKUDQ-UHFFFAOYSA-N 0 1 289.404 3.705 20 0 CHADMN c1csc(-c2noc(CN(C3CC3)C3CCCC3)n2)c1 ZINC000064808543 1128451625 /nfs/dbraw/zinc/45/16/25/1128451625.db2.gz HQVADUHEXBKUDQ-UHFFFAOYSA-N 0 1 289.404 3.705 20 0 CHADMN CCC[C@@](C)(NCc1cc(C)n(C)n1)c1ccccc1 ZINC000934180283 1128453273 /nfs/dbraw/zinc/45/32/73/1128453273.db2.gz NRJGUZMCAFOQAN-QGZVFWFLSA-N 0 1 271.408 3.534 20 0 CHADMN C[C@H](N[C@H]1CCc2c1cc(F)cc2F)c1cncs1 ZINC000934195442 1128454682 /nfs/dbraw/zinc/45/46/82/1128454682.db2.gz OKBBWZXKTKDSJP-SDBXPKJASA-N 0 1 280.343 3.759 20 0 CHADMN CC(C)(C)c1n[nH]cc1CN(Cc1ccccc1)C1CC1 ZINC000125429560 1128449798 /nfs/dbraw/zinc/44/97/98/1128449798.db2.gz HJAFKAKBTMNNBL-UHFFFAOYSA-N 0 1 283.419 3.872 20 0 CHADMN c1ccc([C@H](CC2CCCC2)NCc2cnccn2)cc1 ZINC000563111550 1128450127 /nfs/dbraw/zinc/45/01/27/1128450127.db2.gz QIRJMENVDICUFB-SFHVURJKSA-N 0 1 281.403 3.888 20 0 CHADMN C[C@@H](Cc1cccnc1)NCc1nc(Cl)ccc1Cl ZINC000934235440 1128456166 /nfs/dbraw/zinc/45/61/66/1128456166.db2.gz WFYWSCXYWHMQOX-JTQLQIEISA-N 0 1 296.201 3.504 20 0 CHADMN Cc1cccnc1[C@@H](NC/C=C/Cl)C(C)(C)C ZINC000934291403 1128456587 /nfs/dbraw/zinc/45/65/87/1128456587.db2.gz LPXDYVDRNNOXKB-STMXVASLSA-N 0 1 252.789 3.819 20 0 CHADMN C[C@@H]1CCCC[C@H]1CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000126199006 1128461577 /nfs/dbraw/zinc/46/15/77/1128461577.db2.gz URYUPRFTICLSCW-PVAVHDDUSA-N 0 1 283.419 3.915 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cnn(CC3CCC3)c2)cc1 ZINC000934561311 1128463174 /nfs/dbraw/zinc/46/31/74/1128463174.db2.gz DJWGQFFPJUYTLP-AWEZNQCLSA-N 0 1 299.418 3.543 20 0 CHADMN Cc1cccc(CCN[C@@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000126494266 1128463719 /nfs/dbraw/zinc/46/37/19/1128463719.db2.gz FWPNBCBEGPKRQA-GOSISDBHSA-N 0 1 291.398 3.640 20 0 CHADMN O=C(CN1CCCC1)Nc1ccc2c(c1)oc1ccccc12 ZINC000916970050 1128467265 /nfs/dbraw/zinc/46/72/65/1128467265.db2.gz HIRGDTLHRRJWGG-UHFFFAOYSA-N 0 1 294.354 3.620 20 0 CHADMN CC(C)c1nsc(CNC2(C3CCCCC3)CC2)n1 ZINC000934789901 1128469409 /nfs/dbraw/zinc/46/94/09/1128469409.db2.gz PMZSSVWAMMKBCT-UHFFFAOYSA-N 0 1 279.453 3.864 20 0 CHADMN C(NC1(C2CCCCC2)CC1)c1nnc(C2CC2)s1 ZINC000934787516 1128469532 /nfs/dbraw/zinc/46/95/32/1128469532.db2.gz BCTULOFBECOXHP-UHFFFAOYSA-N 0 1 277.437 3.618 20 0 CHADMN CCCCOC(=O)CCN(C)[C@H](C)c1cc(F)ccc1F ZINC000917064275 1128473458 /nfs/dbraw/zinc/47/34/58/1128473458.db2.gz MHHOOJXIJFSUIR-GFCCVEGCSA-N 0 1 299.361 3.691 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000127322880 1128475537 /nfs/dbraw/zinc/47/55/37/1128475537.db2.gz PQDIRYPFLIGVPK-STQMWFEESA-N 0 1 299.418 3.764 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CCCCCC1 ZINC000066828346 1128477664 /nfs/dbraw/zinc/47/76/64/1128477664.db2.gz TXCFVSWJBABXIE-UHFFFAOYSA-N 0 1 275.371 3.571 20 0 CHADMN CCN(Cc1nc(-c2cccc(Cl)c2)no1)C(C)C ZINC000917088355 1128478135 /nfs/dbraw/zinc/47/81/35/1128478135.db2.gz GWWQVUMEBQJBGP-UHFFFAOYSA-N 0 1 279.771 3.620 20 0 CHADMN Cc1ccc2[nH]c(-c3nc([C@H](N)CC(C)C)no3)cc2c1 ZINC000563886445 1128483822 /nfs/dbraw/zinc/48/38/22/1128483822.db2.gz YDCSFCDIKSLZGV-GFCCVEGCSA-N 0 1 284.363 3.572 20 0 CHADMN Cc1cnccc1CN(C)Cc1ccc(F)c(Cl)c1 ZINC000564041541 1128490738 /nfs/dbraw/zinc/49/07/38/1128490738.db2.gz NNWRMFHTHLJDDM-UHFFFAOYSA-N 0 1 278.758 3.815 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2ccc(C)nc2C)s1 ZINC000631706695 1128492259 /nfs/dbraw/zinc/49/22/59/1128492259.db2.gz AHOCNMACWNBYQB-VXGBXAGGSA-N 0 1 275.421 3.875 20 0 CHADMN C[C@H]1Oc2cc(F)ccc2[C@H]1NCc1cccc(F)c1 ZINC000564116873 1128494161 /nfs/dbraw/zinc/49/41/61/1128494161.db2.gz MWKSRAZQBGYKKB-HWPZZCPQSA-N 0 1 275.298 3.577 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000564218426 1128498868 /nfs/dbraw/zinc/49/88/68/1128498868.db2.gz DVGSXLIBUDDRNE-CYBMUJFWSA-N 0 1 287.762 3.554 20 0 CHADMN CC(C)N(C)CC(=O)Nc1ccccc1Nc1ccccc1 ZINC000128561908 1128503220 /nfs/dbraw/zinc/50/32/20/1128503220.db2.gz XYKQOOVUOGPCTN-UHFFFAOYSA-N 0 1 297.402 3.709 20 0 CHADMN Cc1nc(SCCOC2CC2)[nH]c1-c1ccccc1 ZINC000917517993 1128503383 /nfs/dbraw/zinc/50/33/83/1128503383.db2.gz RUTCGEROSOFAQR-UHFFFAOYSA-N 0 1 274.389 3.656 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000935973146 1128507044 /nfs/dbraw/zinc/50/70/44/1128507044.db2.gz OKDUYWRYMJOWLV-ILWJIGKKSA-N 0 1 297.757 3.950 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)o1 ZINC000564532936 1128511030 /nfs/dbraw/zinc/51/10/30/1128511030.db2.gz OKPRUILGMDSESB-JWZBEHFJSA-N 0 1 289.419 3.792 20 0 CHADMN CCN(Cc1nc(-c2cccc(Cl)c2)no1)CC1CC1 ZINC000070012796 1128558239 /nfs/dbraw/zinc/55/82/39/1128558239.db2.gz QXBOAKQEKAHJII-UHFFFAOYSA-N 0 1 291.782 3.622 20 0 CHADMN CC[C@H](C)N(C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000068449849 1128511441 /nfs/dbraw/zinc/51/14/41/1128511441.db2.gz KUALIWIMRBJVJQ-JTQLQIEISA-N 0 1 279.771 3.620 20 0 CHADMN CC[C@](C)(NC[C@H]1CCCC2(CCC2)O1)c1nccs1 ZINC000929991124 1128511885 /nfs/dbraw/zinc/51/18/85/1128511885.db2.gz IHICVZQFPZSATJ-HIFRSBDPSA-N 0 1 294.464 3.850 20 0 CHADMN CC1(C2CC2)CCN(Cc2nc3ccc(F)cc3o2)CC1 ZINC000564613820 1128512342 /nfs/dbraw/zinc/51/23/42/1128512342.db2.gz ARPMZUCAOGRONU-UHFFFAOYSA-N 0 1 288.366 3.979 20 0 CHADMN CCc1ccc(CN[C@@H]2c3ccccc3O[C@H]2C)cc1 ZINC000564680245 1128514042 /nfs/dbraw/zinc/51/40/42/1128514042.db2.gz TWAVLBXKCUSSLJ-UGSOOPFHSA-N 0 1 267.372 3.861 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000565101988 1128520161 /nfs/dbraw/zinc/52/01/61/1128520161.db2.gz CAYZNHZNQZWZQG-GOSISDBHSA-N 0 1 285.387 3.707 20 0 CHADMN COc1cccc([C@@H](C)NCc2c(C)nsc2C)c1 ZINC000565161553 1128520829 /nfs/dbraw/zinc/52/08/29/1128520829.db2.gz FQTHYYLCQOQVQS-SNVBAGLBSA-N 0 1 276.405 3.619 20 0 CHADMN CC(C)[C@H](CC(F)(F)F)N[C@H](C)c1cn2ccccc2n1 ZINC000565218338 1128521431 /nfs/dbraw/zinc/52/14/31/1128521431.db2.gz PMWRDRMPKXIEPU-NEPJUHHUSA-N 0 1 299.340 3.962 20 0 CHADMN CC(=O)c1cc(CN2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)on1 ZINC000565171296 1128521519 /nfs/dbraw/zinc/52/15/19/1128521519.db2.gz LFBJJIHPDQWNCM-IIYDPXPESA-N 0 1 298.386 3.644 20 0 CHADMN Nc1ccc2c(c1)CC[C@H]2NCc1sccc1Cl ZINC000565233019 1128522617 /nfs/dbraw/zinc/52/26/17/1128522617.db2.gz HDBWGSHJAIYQMQ-CYBMUJFWSA-N 0 1 278.808 3.761 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H](C)CC1 ZINC000068829018 1128524492 /nfs/dbraw/zinc/52/44/92/1128524492.db2.gz AEEUKTPSFYOYDZ-RYUDHWBXSA-N 0 1 265.401 3.550 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CCC[C@H](C)CC1 ZINC000068829018 1128524495 /nfs/dbraw/zinc/52/44/95/1128524495.db2.gz AEEUKTPSFYOYDZ-RYUDHWBXSA-N 0 1 265.401 3.550 20 0 CHADMN CC[C@@H]1[C@H](C)CCN1Cc1cc(C(C)(C)C)on1 ZINC000565389501 1128525620 /nfs/dbraw/zinc/52/56/20/1128525620.db2.gz DGBNKRWGXZNGSA-DGCLKSJQSA-N 0 1 250.386 3.593 20 0 CHADMN O=C([O-])CCC[N@H+]1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000565443074 1128526749 /nfs/dbraw/zinc/52/67/49/1128526749.db2.gz HXMMMACRSCBGDG-ATWMFIQVSA-N 0 1 293.432 3.871 20 0 CHADMN CCc1nc2ccccc2c(SCc2[nH]ncc2C)n1 ZINC000918011691 1128529032 /nfs/dbraw/zinc/52/90/32/1128529032.db2.gz ZEVAZCYOMYELMT-UHFFFAOYSA-N 0 1 284.388 3.516 20 0 CHADMN CCCC[C@H]1CCC[C@@H]1NCc1ncc(CC)o1 ZINC000565633330 1128529567 /nfs/dbraw/zinc/52/95/67/1128529567.db2.gz BXNTWQCFOIJVGT-JSGCOSHPSA-N 0 1 250.386 3.686 20 0 CHADMN FC1(F)CCC(COc2ccccc2-c2nnc[nH]2)CC1 ZINC000565823375 1128532928 /nfs/dbraw/zinc/53/29/28/1128532928.db2.gz WXRZAVAOLZPNHB-UHFFFAOYSA-N 0 1 293.317 3.676 20 0 CHADMN Cc1nnsc1CN(Cc1ccccc1)CC1CCC1 ZINC000566047446 1128537833 /nfs/dbraw/zinc/53/78/33/1128537833.db2.gz FMLHUCBRTWWTPG-UHFFFAOYSA-N 0 1 287.432 3.649 20 0 CHADMN C[C@H]1CC[N@@H+](CC[C@@H](C(=O)[O-])c2ccccc2)CC1(C)C ZINC000566361530 1128542421 /nfs/dbraw/zinc/54/24/21/1128542421.db2.gz KSTSFMLMESRHIR-GOEBONIOSA-N 0 1 289.419 3.613 20 0 CHADMN CCC[C@H](C)Nc1cccc(NC(=O)CN(CC)CC)c1 ZINC000566638132 1128548089 /nfs/dbraw/zinc/54/80/89/1128548089.db2.gz STEPJXJTJNWWPD-AWEZNQCLSA-N 0 1 291.439 3.567 20 0 CHADMN CC(C)(C)[C@@H]1CCC[C@@H]1N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000566725048 1128550421 /nfs/dbraw/zinc/55/04/21/1128550421.db2.gz KSCNMYAWHCUXHC-OWCLPIDISA-N 0 1 298.434 3.699 20 0 CHADMN Cc1oncc1CN[C@@H](CC(C)C)c1ccccc1 ZINC000129694669 1128550749 /nfs/dbraw/zinc/55/07/49/1128550749.db2.gz NBXUYEKFXRAEFI-INIZCTEOSA-N 0 1 258.365 3.860 20 0 CHADMN C[C@H](OC(=O)c1cccc2[nH]ncc21)c1cccc(F)c1 ZINC000139340293 1128561074 /nfs/dbraw/zinc/56/10/74/1128561074.db2.gz CSUKPGJTKXYRJO-JTQLQIEISA-N 0 1 284.290 3.620 20 0 CHADMN FC(F)(F)c1cscc1CN1CCC2(CCO2)CC1 ZINC000566886806 1128553910 /nfs/dbraw/zinc/55/39/10/1128553910.db2.gz DLHDNKVIYZNHBE-UHFFFAOYSA-N 0 1 291.338 3.522 20 0 CHADMN C[C@@H]1CN(C(=O)c2cc(Cl)ccc2O)c2ccccc21 ZINC000130061837 1128564283 /nfs/dbraw/zinc/56/42/83/1128564283.db2.gz ZFHUDKUVVRMAEQ-SNVBAGLBSA-N 0 1 287.746 3.810 20 0 CHADMN CCN(Cc1cnc(C2CCCCC2)s1)[C@@H]1CCOC1 ZINC000567533894 1128567189 /nfs/dbraw/zinc/56/71/89/1128567189.db2.gz MZXNCULEUZSXGF-CQSZACIVSA-N 0 1 294.464 3.802 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CCN(Cc2ccccc2)CC1 ZINC000556276455 1128573101 /nfs/dbraw/zinc/57/31/01/1128573101.db2.gz KURPARBKOHNNNI-MRXNPFEDSA-N 0 1 298.405 3.705 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1C(=O)c1c(O)cccc1F ZINC000130225749 1128574127 /nfs/dbraw/zinc/57/41/27/1128574127.db2.gz JXKJARXJRBRECL-WCQYABFASA-N 0 1 279.355 3.572 20 0 CHADMN Cc1nc([C@@H](C)Sc2nc3ccc(F)cc3s2)n[nH]1 ZINC000918932537 1128580331 /nfs/dbraw/zinc/58/03/31/1128580331.db2.gz VYHMGAWKXPGKTA-ZCFIWIBFSA-N 0 1 294.380 3.715 20 0 CHADMN COc1ccc(Cl)cc1Cn1c(C)nc2c1CCCC2 ZINC000130512050 1128584758 /nfs/dbraw/zinc/58/47/58/1128584758.db2.gz QEPMHVCUIPIQTI-UHFFFAOYSA-N 0 1 290.794 3.781 20 0 CHADMN CCCCN(C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000130521071 1128585564 /nfs/dbraw/zinc/58/55/64/1128585564.db2.gz QJYBQSUBNAWCIV-UHFFFAOYSA-N 0 1 280.318 3.852 20 0 CHADMN CC/C=C/CC[N@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000568648549 1128589060 /nfs/dbraw/zinc/58/90/60/1128589060.db2.gz HLMCYPHNFCFTHN-OBMMGQTPSA-N 0 1 279.424 3.698 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@@H](C)c1ccccc1OC(C)C ZINC000568881413 1128593964 /nfs/dbraw/zinc/59/39/64/1128593964.db2.gz QNJCYKZNQNALAJ-LSDHHAIUSA-N 0 1 299.418 3.984 20 0 CHADMN COc1ncccc1CNC(C)(C)c1ccc(Cl)cc1 ZINC000556518801 1128598950 /nfs/dbraw/zinc/59/89/50/1128598950.db2.gz GDKJRQPFUZYPCJ-UHFFFAOYSA-N 0 1 290.794 3.769 20 0 CHADMN CC[C@H](C(=O)O[C@H](C(C)(C)C)C(F)(F)F)N(CC)CC ZINC000778690468 1128601189 /nfs/dbraw/zinc/60/11/89/1128601189.db2.gz QZLUYMQCJDPFSJ-ZYHUDNBSSA-N 0 1 297.361 3.627 20 0 CHADMN CCCCN(C(=O)c1cc(CC)[nH]n1)[C@H](C)c1ccccc1 ZINC000498807012 1128612436 /nfs/dbraw/zinc/61/24/36/1128612436.db2.gz QYKTZFGISYEROS-CQSZACIVSA-N 0 1 299.418 3.976 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1cc2c(c(Cl)c1)OCO2 ZINC000570256817 1128619755 /nfs/dbraw/zinc/61/97/55/1128619755.db2.gz WYRCHSJPQHSJKU-WDEREUQCSA-N 0 1 281.783 3.689 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN1CCC[C@H]2CCC[C@@H]21 ZINC000072693794 1128629311 /nfs/dbraw/zinc/62/93/11/1128629311.db2.gz NFUHMGRMRPRFLO-CVEARBPZSA-N 0 1 286.419 3.506 20 0 CHADMN FCC1(NCc2cnc(-c3ccccc3F)s2)CCC1 ZINC000570681760 1128629455 /nfs/dbraw/zinc/62/94/55/1128629455.db2.gz DQSPTRVORNFCTF-UHFFFAOYSA-N 0 1 294.370 3.931 20 0 CHADMN CN(Cc1nc2ccccc2s1)[C@H]1CCCSC1 ZINC001257671269 1128629875 /nfs/dbraw/zinc/62/98/75/1128629875.db2.gz MRUKLVFZZSPDGW-NSHDSACASA-N 0 1 278.446 3.624 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1c(C)nsc1C ZINC000570981524 1128635322 /nfs/dbraw/zinc/63/53/22/1128635322.db2.gz PUMPVYNVSJEVDN-NSHDSACASA-N 0 1 290.432 3.928 20 0 CHADMN CCn1cccc1CN(C)Cc1cc(C)cc(C)c1 ZINC000556889634 1128636165 /nfs/dbraw/zinc/63/61/65/1128636165.db2.gz KZUAETCJPFPISF-UHFFFAOYSA-N 0 1 256.393 3.757 20 0 CHADMN Cc1ccc2nc(CN3CC(C)(C)[C@@H]3C(C)C)cn2c1 ZINC000556895661 1128635034 /nfs/dbraw/zinc/63/50/34/1128635034.db2.gz XDWAAHPHDCGECD-INIZCTEOSA-N 0 1 271.408 3.509 20 0 CHADMN O=C([O-])C[N@@H+](CCCC1CCCC1)Cc1ccccc1 ZINC000571888829 1128639803 /nfs/dbraw/zinc/63/98/03/1128639803.db2.gz UBJSXFFYVQIRIS-UHFFFAOYSA-N 0 1 275.392 3.544 20 0 CHADMN C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCCCCC(=O)[O-])C1 ZINC000571931995 1128640683 /nfs/dbraw/zinc/64/06/83/1128640683.db2.gz YFXRGWDYCJCAGJ-XJKSGUPXSA-N 0 1 293.382 3.854 20 0 CHADMN c1noc(C2CC2)c1NCc1cnc(-c2ccccc2)[nH]1 ZINC000572355738 1128644421 /nfs/dbraw/zinc/64/44/21/1128644421.db2.gz YYVUNWXLMIKEJD-UHFFFAOYSA-N 0 1 280.331 3.554 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1cc(C(C)(C)C)on1 ZINC000572685144 1128647088 /nfs/dbraw/zinc/64/70/88/1128647088.db2.gz FAGORZWETZXPCK-GFCCVEGCSA-N 0 1 252.402 3.983 20 0 CHADMN CC(C)Oc1ccccc1CN1CCC(F)(F)[C@@H](C)C1 ZINC000572890507 1128648242 /nfs/dbraw/zinc/64/82/42/1128648242.db2.gz DDBUBBJEJQBIEM-ZDUSSCGKSA-N 0 1 283.362 3.951 20 0 CHADMN COCc1ccccc1/C=C(\C)CN1CCC[C@H]1CF ZINC000556950548 1128650249 /nfs/dbraw/zinc/65/02/49/1128650249.db2.gz CQJRMZMCTZKNLZ-SHRNQRGKSA-N 0 1 277.383 3.670 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000573379404 1128653699 /nfs/dbraw/zinc/65/36/99/1128653699.db2.gz GFEPBBHIFLEANI-WMZOPIPTSA-N 0 1 289.419 3.585 20 0 CHADMN Cc1cc(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)c(C)s1 ZINC000556967542 1128653805 /nfs/dbraw/zinc/65/38/05/1128653805.db2.gz KNTHQGIKAAMJGQ-HOTGVXAUSA-N 0 1 277.433 3.508 20 0 CHADMN CC(C)C[N@H+](C/C=C/c1ccc(Cl)cc1)CCC(=O)[O-] ZINC000573452085 1128654372 /nfs/dbraw/zinc/65/43/72/1128654372.db2.gz DNCQWXAYLFBKPD-ONEGZZNKSA-N 0 1 295.810 3.786 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2NCC2(C)CC2)C[C@@H](C)O1 ZINC000573422006 1128654640 /nfs/dbraw/zinc/65/46/40/1128654640.db2.gz VPMIPOZBVJMNNA-HUUCEWRRSA-N 0 1 288.435 3.508 20 0 CHADMN Cc1cccc(CN(Cc2cccc(C)n2)CC2CCC2)n1 ZINC000132646879 1128658835 /nfs/dbraw/zinc/65/88/35/1128658835.db2.gz LKVFDASFOOCPKD-UHFFFAOYSA-N 0 1 295.430 3.896 20 0 CHADMN Cc1ccc(CN[C@@H]2c3ccc(F)cc3O[C@H]2C)cc1 ZINC000575212031 1128665694 /nfs/dbraw/zinc/66/56/94/1128665694.db2.gz FMUIPUFRLOMPFB-SJCJKPOMSA-N 0 1 271.335 3.746 20 0 CHADMN CC1(C)CC[C@@H](CN2CC[C@@](F)(c3ccccc3)C2)O1 ZINC000574057300 1128661447 /nfs/dbraw/zinc/66/14/47/1128661447.db2.gz JYJIDGGFLHXSKM-RDJZCZTQSA-N 0 1 277.383 3.515 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000574165191 1128661928 /nfs/dbraw/zinc/66/19/28/1128661928.db2.gz XFDWHOKFOSPJRR-QGZVFWFLSA-N 0 1 299.345 3.861 20 0 CHADMN CC[C@H]1CCCC[C@H]1N(C)Cc1ncc(COC)s1 ZINC000574121910 1128662055 /nfs/dbraw/zinc/66/20/55/1128662055.db2.gz XDKKMVLOXRXRKR-GXTWGEPZSA-N 0 1 282.453 3.690 20 0 CHADMN CC(C)[C@@H](c1ccccc1)N(C)Cc1cnc(Cl)cn1 ZINC000799121887 1128667885 /nfs/dbraw/zinc/66/78/85/1128667885.db2.gz JUQOGQBOHWPDIG-INIZCTEOSA-N 0 1 289.810 3.959 20 0 CHADMN CC(C)C[C@H](C)C[C@@H](C)NCc1nccnc1Cl ZINC001258050876 1128696032 /nfs/dbraw/zinc/69/60/32/1128696032.db2.gz HFFGUHCJNVSTMH-NWDGAFQWSA-N 0 1 269.820 3.680 20 0 CHADMN Cc1cccc(NC(=O)CN2CCC[C@@H]2c2ccccc2)c1 ZINC000010310927 1128690684 /nfs/dbraw/zinc/69/06/84/1128690684.db2.gz MGCJVNHNALTIRD-GOSISDBHSA-N 0 1 294.398 3.771 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccc3[nH]ccc3c1)CCO2 ZINC000577817473 1128691285 /nfs/dbraw/zinc/69/12/85/1128691285.db2.gz HWOGWWFNAGNSSM-QGZVFWFLSA-N 0 1 296.345 3.920 20 0 CHADMN C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(F)c1O ZINC001127547305 1128694007 /nfs/dbraw/zinc/69/40/07/1128694007.db2.gz BMZGVIKRKYAVPO-MEDUHNTESA-N 0 1 299.345 3.585 20 0 CHADMN Cc1cccc([C@H](C)NCc2cn3ccsc3n2)c1 ZINC000134441075 1128708196 /nfs/dbraw/zinc/70/81/96/1128708196.db2.gz ZEQPXLATMVOERS-LBPRGKRZSA-N 0 1 271.389 3.555 20 0 CHADMN COC(=O)c1ccc2c(c1)[C@@H](NCc1ccc(C)o1)CCC2 ZINC000601303131 1128709112 /nfs/dbraw/zinc/70/91/12/1128709112.db2.gz CSHLLNOWTFUUBF-KRWDZBQOSA-N 0 1 299.370 3.542 20 0 CHADMN Clc1ccc(CNCc2nccc3c2CCCC3)cc1 ZINC000921476516 1128710626 /nfs/dbraw/zinc/71/06/26/1128710626.db2.gz GIDQORRQCNANKJ-UHFFFAOYSA-N 0 1 286.806 3.904 20 0 CHADMN CC(C)c1cnc(CN2CC[C@@H](c3cccnc3)C2)s1 ZINC000578324070 1128714438 /nfs/dbraw/zinc/71/44/38/1128714438.db2.gz JVPKFIYJEGEFPH-CQSZACIVSA-N 0 1 287.432 3.651 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2ccc(SCC)cc2)no1 ZINC000233104419 1128715134 /nfs/dbraw/zinc/71/51/34/1128715134.db2.gz FFKNAQZVLUKLDH-NSHDSACASA-N 0 1 291.420 3.909 20 0 CHADMN Fc1cc(Br)ccc1CN[C@H]1CCC[C@H]1F ZINC000378709206 1128716903 /nfs/dbraw/zinc/71/69/03/1128716903.db2.gz RUFHNSISEDVIDG-PWSUYJOCSA-N 0 1 290.151 3.568 20 0 CHADMN CC[C@H](Cc1nc(C2(N)CCCC2)no1)c1ccc(C)cc1 ZINC000578442450 1128717769 /nfs/dbraw/zinc/71/77/69/1128717769.db2.gz QZOSGHSYDSLDFZ-CQSZACIVSA-N 0 1 299.418 3.842 20 0 CHADMN Cc1oc(C[N@@H+](C)CC2CCCCCC2)cc1C(=O)[O-] ZINC000578515154 1128720511 /nfs/dbraw/zinc/72/05/11/1128720511.db2.gz MVELJRZXLHKNSJ-UHFFFAOYSA-N 0 1 279.380 3.688 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](C)CC[C@H](C(=O)[O-])c1ccccc1 ZINC000578756386 1128728258 /nfs/dbraw/zinc/72/82/58/1128728258.db2.gz QPMJWEJWROMLKV-QAPCUYQASA-N 0 1 297.398 3.938 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](C)CC[C@H](C(=O)[O-])c1ccccc1 ZINC000578756387 1128728402 /nfs/dbraw/zinc/72/84/02/1128728402.db2.gz QPMJWEJWROMLKV-YJBOKZPZSA-N 0 1 297.398 3.938 20 0 CHADMN CCCOc1ncccc1CNCc1ccc2[nH]ccc2c1 ZINC000578765935 1128728556 /nfs/dbraw/zinc/72/85/56/1128728556.db2.gz SRLMQVZFFVFHBQ-UHFFFAOYSA-N 0 1 295.386 3.642 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1CCCCCC(=O)[O-] ZINC000578756412 1128728679 /nfs/dbraw/zinc/72/86/79/1128728679.db2.gz RRXXLYZOKPLJER-CQSZACIVSA-N 0 1 255.402 3.532 20 0 CHADMN CC(C)=CCNc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000578798377 1128729495 /nfs/dbraw/zinc/72/94/95/1128729495.db2.gz ZCUPJGAVKGDBBN-IYBDPMFKSA-N 0 1 288.435 3.674 20 0 CHADMN CCN1CCN(C(=O)CC(C)(C)C2CCCCC2)[C@@H](C)C1 ZINC000622595890 1117747953 /nfs/dbraw/zinc/74/79/53/1117747953.db2.gz ITXPEKDYCPLIMH-HNNXBMFYSA-N 0 1 294.483 3.536 20 0 CHADMN C[C@H](NCc1cccc(F)c1F)c1ccsc1 ZINC000061363052 1117751296 /nfs/dbraw/zinc/75/12/96/1117751296.db2.gz LUZMMXSCZLXSCZ-VIFPVBQESA-N 0 1 253.317 3.877 20 0 CHADMN CCN(CC)CC(=O)N(CC(C)C)c1cccc(Cl)c1 ZINC000622666288 1117752355 /nfs/dbraw/zinc/75/23/55/1117752355.db2.gz RVXVFCWUSRWWHV-UHFFFAOYSA-N 0 1 296.842 3.671 20 0 CHADMN Cc1cncc([C@@H](C)NCc2ccc(F)c(F)c2)c1 ZINC000274563380 1117755983 /nfs/dbraw/zinc/75/59/83/1117755983.db2.gz GLKMGYIWDATNCL-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN C[C@H](CN1CCCC(F)(F)[C@H](F)C1)c1ccccc1 ZINC001207903281 1117759520 /nfs/dbraw/zinc/75/95/20/1117759520.db2.gz FVWFYNBGMMDAJD-TZMCWYRMSA-N 0 1 271.326 3.859 20 0 CHADMN COc1ccc(C(F)(F)F)c(CN2CCC[C@H](C)C2)c1 ZINC001238054378 1117761799 /nfs/dbraw/zinc/76/17/99/1117761799.db2.gz XQYGXJXBGLVCMQ-NSHDSACASA-N 0 1 287.325 3.946 20 0 CHADMN CCc1oc2ccccc2c1CNCc1cccnc1 ZINC000035017759 1117762201 /nfs/dbraw/zinc/76/22/01/1117762201.db2.gz FBWHLRFCZCXDTB-UHFFFAOYSA-N 0 1 266.344 3.680 20 0 CHADMN CC(C)CCN(C)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000683096101 1117764453 /nfs/dbraw/zinc/76/44/53/1117764453.db2.gz KFDSYQXNNHAIPZ-UHFFFAOYSA-N 0 1 293.361 3.628 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc3cccnc32)o1 ZINC000035054977 1117765635 /nfs/dbraw/zinc/76/56/35/1117765635.db2.gz OLWPZOWDXHEKAQ-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001139886647 1117777469 /nfs/dbraw/zinc/77/74/69/1117777469.db2.gz HPCZTVDSNLYTMT-WFASDCNBSA-N 0 1 299.336 3.625 20 0 CHADMN Cc1csc2nc(C)nc(N[C@@H]3CCCc4cn[nH]c43)c12 ZINC000274642262 1117777626 /nfs/dbraw/zinc/77/76/26/1117777626.db2.gz DLEBIMLRZOCUIP-LLVKDONJSA-N 0 1 299.403 3.521 20 0 CHADMN Cc1cccc2c1cc[nH+]c2NC1CCC(C(=O)[O-])CC1 ZINC000578987639 1128735324 /nfs/dbraw/zinc/73/53/24/1128735324.db2.gz JZIZFYGFKDZMOK-UHFFFAOYSA-N 0 1 284.359 3.599 20 0 CHADMN Cc1ccncc1CCC[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000430154368 1117787063 /nfs/dbraw/zinc/78/70/63/1117787063.db2.gz XBLDUNQZEHJXHA-INIZCTEOSA-N 0 1 296.414 3.606 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCCC3(CCC3)C2)cc1Cl ZINC001238154010 1117796349 /nfs/dbraw/zinc/79/63/49/1117796349.db2.gz IKDVWHPDULEKTJ-UHFFFAOYSA-N 0 1 283.774 3.951 20 0 CHADMN CC(C)c1nocc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC001625783578 1117796875 /nfs/dbraw/zinc/79/68/75/1117796875.db2.gz WKYYQYRPAKKRHA-UHFFFAOYSA-N 0 1 298.701 3.548 20 0 CHADMN FC(F)Sc1ccc(CN2CCSCC2)cc1 ZINC000064694168 1128735620 /nfs/dbraw/zinc/73/56/20/1128735620.db2.gz SZEQOUKJDPAKMO-UHFFFAOYSA-N 0 1 275.389 3.550 20 0 CHADMN CCC(=O)Nc1cc(NCc2ccccc2C2CC2)ccn1 ZINC001167052905 1117799132 /nfs/dbraw/zinc/79/91/32/1117799132.db2.gz YNGVTTKNNQSDLE-UHFFFAOYSA-N 0 1 295.386 3.920 20 0 CHADMN CC1=C[C@@H](C)C[C@@H](C[N@H+]2CCc3cc(C(=O)[O-])ccc3C2)C1 ZINC000901679132 1117801223 /nfs/dbraw/zinc/80/12/23/1117801223.db2.gz ZWGFNQRMYZRLDL-UKRRQHHQSA-N 0 1 299.414 3.735 20 0 CHADMN CC[C@](C)(NCCOc1ccc(C)cc1)c1nccs1 ZINC000072684044 1117802860 /nfs/dbraw/zinc/80/28/60/1117802860.db2.gz GTTNOJFJZYOOMX-INIZCTEOSA-N 0 1 290.432 3.745 20 0 CHADMN CC(C)C1CCN(Cc2cccnc2Cl)CC1 ZINC000072717401 1117809350 /nfs/dbraw/zinc/80/93/50/1117809350.db2.gz CPLHIVQGGNOYEA-UHFFFAOYSA-N 0 1 252.789 3.603 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc3ccc(C)cc3o2)n[nH]1 ZINC000683159627 1117813813 /nfs/dbraw/zinc/81/38/13/1117813813.db2.gz FDBIPSHLKFWMLB-GFCCVEGCSA-N 0 1 269.348 3.624 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc3ccc(C)cc3o2)[nH]n1 ZINC000683159627 1117813816 /nfs/dbraw/zinc/81/38/16/1117813816.db2.gz FDBIPSHLKFWMLB-GFCCVEGCSA-N 0 1 269.348 3.624 20 0 CHADMN CCCCOc1ccc([C@@H](C)NCc2cc(C)n[nH]2)cc1 ZINC000671297663 1117814135 /nfs/dbraw/zinc/81/41/35/1117814135.db2.gz UVQDTAJAEBVIBI-CQSZACIVSA-N 0 1 287.407 3.748 20 0 CHADMN Cc1cc(-c2cc(F)c(O)cc2F)nc(C(C)(C)C)n1 ZINC001206767560 1117817880 /nfs/dbraw/zinc/81/78/80/1117817880.db2.gz FSAIOKJBVGPHAY-UHFFFAOYSA-N 0 1 278.302 3.733 20 0 CHADMN CCCc1ccccc1NC(=O)[C@@H]1C[C@H](C)Cc2cn[nH]c21 ZINC000623181920 1117820093 /nfs/dbraw/zinc/82/00/93/1117820093.db2.gz VSMAXIWTTROROL-IUODEOHRSA-N 0 1 297.402 3.667 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)C[C@H](N2CCc3n[nH]cc3C2)C1 ZINC000623238395 1117825021 /nfs/dbraw/zinc/82/50/21/1117825021.db2.gz DUMROJWYSXFGIA-QGPMSJSTSA-N 0 1 295.430 3.740 20 0 CHADMN Clc1cscc1CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000671309351 1117827871 /nfs/dbraw/zinc/82/78/71/1117827871.db2.gz XHJQBZLZOABDMJ-CHWSQXEVSA-N 0 1 271.813 3.545 20 0 CHADMN Cc1ccc([C@H](C)[N@@H+](C)Cc2ccncc2C)cc1 ZINC000579074327 1128737901 /nfs/dbraw/zinc/73/79/01/1128737901.db2.gz GJEKBTKQNLTMEB-HNNXBMFYSA-N 0 1 254.377 3.891 20 0 CHADMN Cc1cc(CN(C)[C@H]2CCCC[C@@H]2C(F)(F)F)on1 ZINC000361589950 1117843176 /nfs/dbraw/zinc/84/31/76/1117843176.db2.gz IOCANFJLJSNEQC-RYUDHWBXSA-N 0 1 276.302 3.536 20 0 CHADMN Cc1cc([C@H](C)NCc2cccc3c2OCC3)cs1 ZINC000692951608 1117846614 /nfs/dbraw/zinc/84/66/14/1117846614.db2.gz NIHNKTRECZHDDQ-LBPRGKRZSA-N 0 1 273.401 3.842 20 0 CHADMN CC(C)Cc1ncc(CNc2cc3c(cn2)CCC3)s1 ZINC000339556812 1117853220 /nfs/dbraw/zinc/85/32/20/1117853220.db2.gz PADDYFHIOQVPDV-UHFFFAOYSA-N 0 1 287.432 3.837 20 0 CHADMN Fc1ccc2nc(CNc3cc4c(cn3)CCC4)sc2c1 ZINC000339556652 1117853307 /nfs/dbraw/zinc/85/33/07/1117853307.db2.gz UJDMKOSLVDBUMO-UHFFFAOYSA-N 0 1 299.374 3.931 20 0 CHADMN c1[nH]c(-c2ccccc2)nc1CNc1cc2c(cn1)CCC2 ZINC000339557690 1117856714 /nfs/dbraw/zinc/85/67/14/1117856714.db2.gz UZALONMGXRNOGO-UHFFFAOYSA-N 0 1 290.370 3.573 20 0 CHADMN C[C@H](NCc1cccc2nccn21)c1ccccc1Cl ZINC000339559147 1117859137 /nfs/dbraw/zinc/85/91/37/1117859137.db2.gz SCBVOLZUXMXIIT-LBPRGKRZSA-N 0 1 285.778 3.839 20 0 CHADMN CCC(CC)CC(=O)Nc1cccc(Cl)c1O ZINC000177049444 1117864845 /nfs/dbraw/zinc/86/48/45/1117864845.db2.gz PWOLCCJVQWSROB-UHFFFAOYSA-N 0 1 255.745 3.810 20 0 CHADMN CC[C@H]1CCN1Cc1cnc(-c2cccs2)s1 ZINC000430205844 1117865308 /nfs/dbraw/zinc/86/53/08/1117865308.db2.gz NQSGBCSAVDPBGL-JTQLQIEISA-N 0 1 264.419 3.856 20 0 CHADMN C[C@@H]1SCC[C@H]1NCc1c(F)ccc(F)c1Cl ZINC000623558723 1117871703 /nfs/dbraw/zinc/87/17/03/1117871703.db2.gz GVKIKXPBPTXOLU-WRWORJQWSA-N 0 1 277.767 3.602 20 0 CHADMN Cc1ccc(CNCc2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000073052856 1117876122 /nfs/dbraw/zinc/87/61/22/1117876122.db2.gz DUXNEEHASPWIQF-UHFFFAOYSA-N 0 1 288.322 3.641 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2coc(-c3cccs3)n2)C1 ZINC000066406402 1117876400 /nfs/dbraw/zinc/87/64/00/1117876400.db2.gz ZVVGEADSQFKTHB-VXGBXAGGSA-N 0 1 276.405 3.881 20 0 CHADMN CCC[C@@H](CNCc1ncc(C(C)(C)C)s1)OCC ZINC000623599727 1117877411 /nfs/dbraw/zinc/87/74/11/1117877411.db2.gz PXXVJQMWGZFPMX-LBPRGKRZSA-N 0 1 284.469 3.735 20 0 CHADMN C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1cc(Cl)ccc1[O-] ZINC000185724528 1117879049 /nfs/dbraw/zinc/87/90/49/1117879049.db2.gz XBJWVCIDAKMKTJ-IINYFYTJSA-N 0 1 285.840 3.982 20 0 CHADMN CCOc1cncc(CN[C@@H](c2ccccn2)C2CCC2)c1 ZINC000623638543 1117880372 /nfs/dbraw/zinc/88/03/72/1117880372.db2.gz JGJPKRHQKIKODU-GOSISDBHSA-N 0 1 297.402 3.506 20 0 CHADMN COc1c(Cl)ccc(F)c1CN1C[C@@H](C)C[C@H](C)C1 ZINC001238342793 1117880999 /nfs/dbraw/zinc/88/09/99/1117880999.db2.gz SNLLAEDGNWKALO-QWRGUYRKSA-N 0 1 285.790 3.966 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)C3(C)CC3)cc2[nH]1 ZINC000177794836 1117881216 /nfs/dbraw/zinc/88/12/16/1117881216.db2.gz YZAACWYGNNDGNS-UHFFFAOYSA-N 0 1 271.364 3.599 20 0 CHADMN C[C@H]1CN(Cc2cc(Cl)cc3cccnc32)[C@H]1C ZINC000339569597 1117885149 /nfs/dbraw/zinc/88/51/49/1117885149.db2.gz RUMWJQQAPXVXLP-QWRGUYRKSA-N 0 1 260.768 3.728 20 0 CHADMN Fc1ccc2oc(CN[C@@H]3CCC[C@H]3F)cc2c1 ZINC000339582630 1117889351 /nfs/dbraw/zinc/88/93/51/1117889351.db2.gz GYGDKWARXHQWRO-CHWSQXEVSA-N 0 1 251.276 3.552 20 0 CHADMN CCC(F)(F)CNCC1(CCOC)CCCCC1 ZINC000623679249 1117889457 /nfs/dbraw/zinc/88/94/57/1117889457.db2.gz OEXNQLWEQFGXAE-UHFFFAOYSA-N 0 1 263.372 3.608 20 0 CHADMN F[C@@H]1CCC[C@H]1NCc1cnc(C2CCCC2)s1 ZINC000339589685 1117893833 /nfs/dbraw/zinc/89/38/33/1117893833.db2.gz IPIAINVFVVDEGH-CHWSQXEVSA-N 0 1 268.401 3.781 20 0 CHADMN CCOc1ccc([C@H](C)N[C@@H](C)c2cncs2)cc1 ZINC000119375414 1117894014 /nfs/dbraw/zinc/89/40/14/1117894014.db2.gz SJLOLSXOSJWIDQ-RYUDHWBXSA-N 0 1 276.405 3.954 20 0 CHADMN CN(c1nc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cs1)C1CC1 ZINC000579828567 1117895483 /nfs/dbraw/zinc/89/54/83/1117895483.db2.gz FEDLZXOSLKCCDT-WFASDCNBSA-N 0 1 291.464 3.506 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccsc1)c1cc2c(s1)CCC2 ZINC000349424687 1117898560 /nfs/dbraw/zinc/89/85/60/1117898560.db2.gz UHCYNONEWLKCAW-MFKMUULPSA-N 0 1 293.457 3.683 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccsc1)c1ccc(F)cc1 ZINC000349414358 1117898751 /nfs/dbraw/zinc/89/87/51/1117898751.db2.gz NPNNOZAQHXFGBQ-HUUCEWRRSA-N 0 1 279.380 3.662 20 0 CHADMN c1ccc(OCCC[N@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000471165937 1117907092 /nfs/dbraw/zinc/90/70/92/1117907092.db2.gz SFBCIKRALAIYEK-GOSISDBHSA-N 0 1 267.372 3.903 20 0 CHADMN CC[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1 ZINC000023991277 1117908729 /nfs/dbraw/zinc/90/87/29/1117908729.db2.gz GFJMENQEJUJQKZ-AWEZNQCLSA-N 0 1 280.799 3.543 20 0 CHADMN CC(C)[C@H](NCCC1CCCC1)c1nc(C2CC2)no1 ZINC000179821722 1117914480 /nfs/dbraw/zinc/91/44/80/1117914480.db2.gz MMXVWROVYZHENQ-AWEZNQCLSA-N 0 1 277.412 3.814 20 0 CHADMN CCn1nccc1CN[C@H]1CCCc2ccc(Cl)cc21 ZINC000623751695 1117918568 /nfs/dbraw/zinc/91/85/68/1117918568.db2.gz JKBRSHBMVXUOQS-INIZCTEOSA-N 0 1 289.810 3.724 20 0 CHADMN C[C@@H](c1cccc(F)c1)N1CCc2ccccc2C1 ZINC000615339995 1128745208 /nfs/dbraw/zinc/74/52/08/1128745208.db2.gz HFRCDTJSYMVYND-ZDUSSCGKSA-N 0 1 255.336 3.945 20 0 CHADMN C[C@@]1(F)CCN(CCc2ccc(Cl)cc2)C[C@H]1F ZINC001208736361 1117927557 /nfs/dbraw/zinc/92/75/57/1117927557.db2.gz CQFGOOQZAAROHT-ZIAGYGMSSA-N 0 1 273.754 3.655 20 0 CHADMN Cc1cccc(-c2noc(C3(N)CCCCCC3)n2)c1 ZINC000041033211 1117929226 /nfs/dbraw/zinc/92/92/26/1117929226.db2.gz MPWAPTKBFPJYFQ-UHFFFAOYSA-N 0 1 271.364 3.553 20 0 CHADMN CC[C@@H](CC(F)F)c1nc(-c2ccn3cncc3c2)no1 ZINC000351221626 1117930444 /nfs/dbraw/zinc/93/04/44/1117930444.db2.gz MKOBKOPZXAYTBX-VIFPVBQESA-N 0 1 292.289 3.533 20 0 CHADMN Cc1nc2ccc(NC(=O)c3ccc(C)c(F)c3)cc2[nH]1 ZINC000010896567 1117934366 /nfs/dbraw/zinc/93/43/66/1117934366.db2.gz BYVWFSQPQAWNQG-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN C[C@@H]1CN(Cc2cccc3nccn32)[C@@H]1c1ccccc1 ZINC000180653650 1117937106 /nfs/dbraw/zinc/93/71/06/1117937106.db2.gz LUBWCBXZHDMSRO-KDOFPFPSSA-N 0 1 277.371 3.527 20 0 CHADMN CC[N@H+](Cc1sc2ccccc2c1Cl)C[C@H](C)O ZINC000510126486 1117941524 /nfs/dbraw/zinc/94/15/24/1117941524.db2.gz DTKURQVAOJVXPR-JTQLQIEISA-N 0 1 283.824 3.757 20 0 CHADMN Fc1cccc(F)c1C1(N[C@H]2CCCSC2)CCC1 ZINC000623844086 1117944753 /nfs/dbraw/zinc/94/47/53/1117944753.db2.gz DUXPJVSFCBUYGG-NSHDSACASA-N 0 1 283.387 3.829 20 0 CHADMN Fc1ccc(F)c([C@H]2CCCN2C[C@H]2CCC=CO2)c1 ZINC001208880194 1117945546 /nfs/dbraw/zinc/94/55/46/1117945546.db2.gz JYWRLTFFBMZRAQ-CZUORRHYSA-N 0 1 279.330 3.794 20 0 CHADMN c1nc2c(s1)CCC[C@H]2NCCSc1ccccc1 ZINC000623853149 1117946920 /nfs/dbraw/zinc/94/69/20/1117946920.db2.gz OEDLXDJEBQBHIA-CYBMUJFWSA-N 0 1 290.457 3.902 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCCN[C@H]1CCCc2scnc21 ZINC000623868966 1117949038 /nfs/dbraw/zinc/94/90/38/1117949038.db2.gz MAGXECSIIRJSDI-RDBSUJKOSA-N 0 1 294.464 3.705 20 0 CHADMN Cc1csc([C@@H](C)NC[C@H](C)Oc2cccc(C)c2)n1 ZINC000623899166 1117950971 /nfs/dbraw/zinc/95/09/71/1117950971.db2.gz AABKAPDDJREWJR-UONOGXRCSA-N 0 1 290.432 3.878 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C)o2)cc1C ZINC000179618316 1117951660 /nfs/dbraw/zinc/95/16/60/1117951660.db2.gz MPPZTYRYJOBZND-UHFFFAOYSA-N 0 1 259.349 3.537 20 0 CHADMN FC(F)(F)c1cccnc1CN1CC[C@H](CC2CC2)C1 ZINC000339681357 1117953133 /nfs/dbraw/zinc/95/31/33/1117953133.db2.gz RZWCAJADSHGWDS-GFCCVEGCSA-N 0 1 284.325 3.722 20 0 CHADMN C[C@H]([N@@H+](C)Cc1cc(C(=O)[O-])ccc1Cl)C(C)(C)C ZINC000579364618 1128746285 /nfs/dbraw/zinc/74/62/85/1128746285.db2.gz QEYSYOOLFDFYRI-JTQLQIEISA-N 0 1 283.799 3.905 20 0 CHADMN CC(C)O[C@@H]1C[C@H](N[C@@H]2CCCc3scnc32)C1(C)C ZINC000623961617 1117962110 /nfs/dbraw/zinc/96/21/10/1117962110.db2.gz JJHYZYUVIUSIBY-KWCYVHTRSA-N 0 1 294.464 3.702 20 0 CHADMN C[C@@H](Nc1ccc(Cl)c(CN(C)C)c1)[C@@H]1CCCCO1 ZINC000623978108 1117964780 /nfs/dbraw/zinc/96/47/80/1117964780.db2.gz JUMGLLBWSVUCCR-WBMJQRKESA-N 0 1 296.842 3.771 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H]1N[C@H]1CCCc2scnc21 ZINC000624006835 1117969644 /nfs/dbraw/zinc/96/96/44/1117969644.db2.gz GHDQKLOZPGDMBH-SOUVJXGZSA-N 0 1 284.428 3.975 20 0 CHADMN CO[C@H](CN[C@H]1CCCc2scnc21)C1CCCCC1 ZINC000624016502 1117970982 /nfs/dbraw/zinc/97/09/82/1117970982.db2.gz YNKLVXDPUKGEDY-UONOGXRCSA-N 0 1 294.464 3.705 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc3ccccc3c2)ncn1 ZINC000339751057 1117972059 /nfs/dbraw/zinc/97/20/59/1117972059.db2.gz ASJWYMKHQVCDGK-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN C=Cn1cc(CN[C@H](C)c2ccccc2OC(C)C)cn1 ZINC000232671792 1117974224 /nfs/dbraw/zinc/97/42/24/1117974224.db2.gz MJQIEORKZVXCLP-CQSZACIVSA-N 0 1 285.391 3.622 20 0 CHADMN CCc1onc(C)c1CN[C@@H](C)COCC1CCCCC1 ZINC000932423767 1117981338 /nfs/dbraw/zinc/98/13/38/1117981338.db2.gz VVTAPFPVLYQEQG-ZDUSSCGKSA-N 0 1 294.439 3.620 20 0 CHADMN CC(C)CN(C(=O)c1ccc2cncn2c1)c1ccccc1 ZINC000339834079 1117983005 /nfs/dbraw/zinc/98/30/05/1117983005.db2.gz LSEDOLSJIMAXMH-UHFFFAOYSA-N 0 1 293.370 3.637 20 0 CHADMN Cc1nc2ccc(NC(=O)c3occc3C(C)C)cc2[nH]1 ZINC000339836723 1117983206 /nfs/dbraw/zinc/98/32/06/1117983206.db2.gz UPKTXPCMQUDKHE-UHFFFAOYSA-N 0 1 283.331 3.840 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000232752531 1117988108 /nfs/dbraw/zinc/98/81/08/1117988108.db2.gz SZKSWYJQGKSULQ-INIZCTEOSA-N 0 1 297.345 3.557 20 0 CHADMN CC(C)N(CC(=O)Nc1cccc2ccccc21)C1CC1 ZINC000079076534 1117989069 /nfs/dbraw/zinc/98/90/69/1117989069.db2.gz MVYWHJHGLPJEIE-UHFFFAOYSA-N 0 1 282.387 3.651 20 0 CHADMN Clc1cc(-c2nc([C@@H]3CCCN3)no2)c(Cl)s1 ZINC000225425077 1117990319 /nfs/dbraw/zinc/99/03/19/1117990319.db2.gz ZRNQWJONSVUIJZ-LURJTMIESA-N 0 1 290.175 3.529 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2CC(C)=C[C@@H](C)C2)c(C)c1 ZINC000430283656 1117992526 /nfs/dbraw/zinc/99/25/26/1117992526.db2.gz IMSHHAAKBXWPAL-CJNGLKHVSA-N 0 1 286.419 3.528 20 0 CHADMN CC(C)[C@@H]1C[C@H](N[C@H](C)c2ccc(=O)[nH]n2)c2ccccc21 ZINC000624169038 1117993187 /nfs/dbraw/zinc/99/31/87/1117993187.db2.gz UBKOUGFSYLBHLX-PVUWLOKVSA-N 0 1 297.402 3.717 20 0 CHADMN CCO[C@@H]1C[C@@H]1NC(c1ccccc1)c1ccccc1 ZINC000579433474 1128748521 /nfs/dbraw/zinc/74/85/21/1128748521.db2.gz AVNVRACHUVSWCP-DLBZAZTESA-N 0 1 267.372 3.543 20 0 CHADMN Brc1ccc(CN2CCC3(CCC3)C2)cc1 ZINC000353672306 1117996190 /nfs/dbraw/zinc/99/61/90/1117996190.db2.gz PZIZRHIUMJMQTO-UHFFFAOYSA-N 0 1 280.209 3.825 20 0 CHADMN CCc1cnc(CN2CCC[C@@](C)(c3ccccc3)C2)o1 ZINC000075743333 1117998922 /nfs/dbraw/zinc/99/89/22/1117998922.db2.gz IOZVYLFPNOORJC-GOSISDBHSA-N 0 1 284.403 3.791 20 0 CHADMN CCN(Cc1ccncc1)Cc1cc2ccccc2cn1 ZINC001139994079 1117998941 /nfs/dbraw/zinc/99/89/41/1117998941.db2.gz ISMQSGFKPQCLQI-UHFFFAOYSA-N 0 1 277.371 3.652 20 0 CHADMN CCc1c2cc(C)ccc2oc1[C@H](C)NCc1cnn(C)c1 ZINC000181558357 1118001166 /nfs/dbraw/zinc/00/11/66/1118001166.db2.gz FGQCTLYKFUBDLP-ZDUSSCGKSA-N 0 1 297.402 3.888 20 0 CHADMN COCc1ccc(CN[C@@H]2CCc3c2cccc3C)o1 ZINC000127507988 1118003675 /nfs/dbraw/zinc/00/36/75/1118003675.db2.gz RGGIVBDXLUVLFV-QGZVFWFLSA-N 0 1 271.360 3.512 20 0 CHADMN COc1ccc([C@H](C)[N@@H+](C)CCC(=O)c2ccccc2)cc1 ZINC000181935791 1118009316 /nfs/dbraw/zinc/00/93/16/1118009316.db2.gz MVXCHTOYXMUYCO-HNNXBMFYSA-N 0 1 297.398 3.961 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000233894078 1118010989 /nfs/dbraw/zinc/01/09/89/1118010989.db2.gz XPSITJLVAOVHPH-WBVHZDCISA-N 0 1 275.392 3.570 20 0 CHADMN Cc1cc(F)ccc1CN(C)[C@H](C)c1ccncc1 ZINC000182287069 1118018009 /nfs/dbraw/zinc/01/80/09/1118018009.db2.gz XRZNSCJYVXKVJE-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN CC[C@H](N[C@@H](C)c1ncc(C(C)(C)C)o1)[C@@H]1CCCO1 ZINC000182349846 1118020628 /nfs/dbraw/zinc/02/06/28/1118020628.db2.gz QCOQWIRIGXOOFS-AVGNSLFASA-N 0 1 280.412 3.580 20 0 CHADMN C[C@H]1CCC[C@H]1CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000579508673 1128750667 /nfs/dbraw/zinc/75/06/67/1128750667.db2.gz AKXLUNMTLDLIPD-IUCAKERBSA-N 0 1 285.746 3.950 20 0 CHADMN Cc1ccc([C@H](NCc2ccc[nH]c2=O)C2CCCC2)o1 ZINC000624258558 1118032814 /nfs/dbraw/zinc/03/28/14/1118032814.db2.gz NGCHLBNHTHFCPY-MRXNPFEDSA-N 0 1 286.375 3.710 20 0 CHADMN CC[C@@H]1CCCN(Cc2ncc(C(C)C)s2)C1 ZINC000183004081 1118035036 /nfs/dbraw/zinc/03/50/36/1118035036.db2.gz LYILNQZTUBSTOJ-GFCCVEGCSA-N 0 1 252.427 3.889 20 0 CHADMN COC(=O)CCN(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000045915508 1118040488 /nfs/dbraw/zinc/04/04/88/1118040488.db2.gz CBJHUDUUXLGMDB-SECBINFHSA-N 0 1 290.190 3.549 20 0 CHADMN C[C@H](c1ccccc1)N1N=C2c3ccccc3CC[C@H]2C1=O ZINC000634599341 1118041740 /nfs/dbraw/zinc/04/17/40/1118041740.db2.gz GMOLHAXCYCNIJV-CXAGYDPISA-N 0 1 290.366 3.557 20 0 CHADMN Cc1cc(C)cc([C@H]2CCN(Cc3nnc(C(C)C)o3)C2)c1 ZINC000183465467 1118044793 /nfs/dbraw/zinc/04/47/93/1118044793.db2.gz CPWQSWIJPGEBPS-HNNXBMFYSA-N 0 1 299.418 3.799 20 0 CHADMN Cc1oc2ccccc2c1CN(C)Cc1ccncc1 ZINC000183743832 1118048176 /nfs/dbraw/zinc/04/81/76/1118048176.db2.gz UTQJKHMDIQEPKC-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN COc1ccccc1/C=C/CN(C)Cc1ccsc1 ZINC000120474243 1118052057 /nfs/dbraw/zinc/05/20/57/1118052057.db2.gz PKMMOPKQJJBRGF-FNORWQNLSA-N 0 1 273.401 3.902 20 0 CHADMN CC[C@H](C)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000072058547 1118054223 /nfs/dbraw/zinc/05/42/23/1118054223.db2.gz BNZHTWNSPJMLFW-JTQLQIEISA-N 0 1 271.364 3.815 20 0 CHADMN CC[C@H](NCCOc1cccc(F)c1)c1nc(C)cs1 ZINC000184415654 1118054320 /nfs/dbraw/zinc/05/43/20/1118054320.db2.gz JBGZSQRWPIVZNB-AWEZNQCLSA-N 0 1 294.395 3.710 20 0 CHADMN C[C@@H](NCCOCC1CC1)c1nc(C(C)(C)C)cs1 ZINC000184459849 1118054477 /nfs/dbraw/zinc/05/44/77/1118054477.db2.gz KKTGILLRUGHELK-LLVKDONJSA-N 0 1 282.453 3.518 20 0 CHADMN C[C@@H](NC[C@@H]1CCCCO1)c1nc(C(C)(C)C)cs1 ZINC000184459419 1118054803 /nfs/dbraw/zinc/05/48/03/1118054803.db2.gz ZDJAFXQNRBBPOC-NEPJUHHUSA-N 0 1 282.453 3.660 20 0 CHADMN CCc1nc([C@@H](C)NCCOc2ccccc2F)cs1 ZINC000184682669 1118057202 /nfs/dbraw/zinc/05/72/02/1118057202.db2.gz OCRSMNPXWRLSNY-LLVKDONJSA-N 0 1 294.395 3.574 20 0 CHADMN CC(C)(C)CN1CCc2c(ncn2CCc2ccccc2)C1 ZINC000184742547 1118057463 /nfs/dbraw/zinc/05/74/63/1118057463.db2.gz KSUASEWPLDAHPK-UHFFFAOYSA-N 0 1 297.446 3.530 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cnc(C)s2)c(C)o1 ZINC000089725816 1118057597 /nfs/dbraw/zinc/05/75/97/1118057597.db2.gz FJWGALDDTXGLQE-VIFPVBQESA-N 0 1 250.367 3.512 20 0 CHADMN O=c1cc(C2CCC2)[nH]n1Cc1cccc(Cl)c1Cl ZINC000634623240 1118060319 /nfs/dbraw/zinc/06/03/19/1118060319.db2.gz AFVHNTKWRBLCHF-UHFFFAOYSA-N 0 1 297.185 3.882 20 0 CHADMN Cc1n[nH]cc1CNCc1ccc(-c2ccccc2)cc1 ZINC000037989189 1118064312 /nfs/dbraw/zinc/06/43/12/1118064312.db2.gz ACHCQURGVSEDLL-UHFFFAOYSA-N 0 1 277.371 3.675 20 0 CHADMN c1cc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)co1 ZINC000093843038 1118072096 /nfs/dbraw/zinc/07/20/96/1118072096.db2.gz QRCKYCJDYZUZQZ-SFHVURJKSA-N 0 1 285.387 3.503 20 0 CHADMN c1cc(CN2CC[C@H](OCCCc3ccccc3)C2)co1 ZINC000093843038 1118072100 /nfs/dbraw/zinc/07/21/00/1118072100.db2.gz QRCKYCJDYZUZQZ-SFHVURJKSA-N 0 1 285.387 3.503 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1ccc(Br)o1 ZINC000306623449 1118076489 /nfs/dbraw/zinc/07/64/89/1118076489.db2.gz DRWJRSPCMFZBGE-NXEZZACHSA-N 0 1 272.186 3.805 20 0 CHADMN CC(C)Oc1ccc(CN2CCCC[C@H](F)C2)cc1 ZINC001204452463 1118080724 /nfs/dbraw/zinc/08/07/24/1118080724.db2.gz KCSRUIUHSVBIQP-HNNXBMFYSA-N 0 1 265.372 3.798 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc(Cl)cc2C)cc1 ZINC001209637491 1118083380 /nfs/dbraw/zinc/08/33/80/1118083380.db2.gz ZOCTULUSTFLSRV-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1cc(Cl)ncc1CN(C)CCOc1ccccc1 ZINC001209637489 1118084069 /nfs/dbraw/zinc/08/40/69/1118084069.db2.gz ZKRSZJOIVUIUKT-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN C[C@H](O)[C@@H](N[C@@H](C)c1cc2cnccc2o1)c1ccccc1 ZINC000658357343 1118084991 /nfs/dbraw/zinc/08/49/91/1118084991.db2.gz POBKSEICLVWWBI-ZJNRKIDTSA-N 0 1 296.370 3.601 20 0 CHADMN CC(C)N(Cc1ccc(F)nc1)Cc1cccc(F)c1 ZINC000779154383 1128754689 /nfs/dbraw/zinc/75/46/89/1128754689.db2.gz TXHPGXICIFXSDV-UHFFFAOYSA-N 0 1 276.330 3.770 20 0 CHADMN CC[C@H](C(=O)Nc1ccc(-c2ccccc2)cc1)N(C)C ZINC000764408495 1118088974 /nfs/dbraw/zinc/08/89/74/1118088974.db2.gz NDLRIKTVDWRFDQ-QGZVFWFLSA-N 0 1 282.387 3.632 20 0 CHADMN CC=C(C=CC(=O)Nc1ccc2nc(C)[nH]c2c1)CC ZINC000764413800 1118090908 /nfs/dbraw/zinc/09/09/08/1118090908.db2.gz LMHYYUJHFPELJB-IKQKLUSLSA-N 0 1 269.348 3.722 20 0 CHADMN CCOC(=O)[C@H](CC(C)C)N(CC)CCc1cccs1 ZINC001167205815 1118097822 /nfs/dbraw/zinc/09/78/22/1118097822.db2.gz IYAQFLONSWULAQ-HNNXBMFYSA-N 0 1 297.464 3.590 20 0 CHADMN CC[C@H](C(=O)OCc1ccc(C(F)F)cc1)N(CC)CC ZINC000764551904 1118098226 /nfs/dbraw/zinc/09/82/26/1118098226.db2.gz RLJFJDNTRJBXAG-CQSZACIVSA-N 0 1 299.361 3.788 20 0 CHADMN COc1cccc(CN2CC[C@H]2c2ccccc2)c1 ZINC000340194895 1118107413 /nfs/dbraw/zinc/10/74/13/1118107413.db2.gz OYLOHTKXSHJDCN-KRWDZBQOSA-N 0 1 253.345 3.642 20 0 CHADMN CCCN(CCc1cscn1)Cc1ccc(F)cc1F ZINC001167237711 1118113685 /nfs/dbraw/zinc/11/36/85/1118113685.db2.gz PPSVKHKIYZBZGW-UHFFFAOYSA-N 0 1 296.386 3.876 20 0 CHADMN CC(C)c1ccc(NC(=O)[C@@H]2NCCc3ccccc32)cc1 ZINC000236739140 1118114797 /nfs/dbraw/zinc/11/47/97/1118114797.db2.gz ZIYYZKXWAKNMSP-GOSISDBHSA-N 0 1 294.398 3.636 20 0 CHADMN Cc1ccc(CN2Cc3ccccc3C(C)(C)C2)nc1 ZINC000340235457 1118119226 /nfs/dbraw/zinc/11/92/26/1118119226.db2.gz FZEHXTWSGVLHGZ-UHFFFAOYSA-N 0 1 266.388 3.683 20 0 CHADMN Cc1cc(Nc2cnc(N)cc2C)c2cccc(F)c2n1 ZINC001209965005 1118120762 /nfs/dbraw/zinc/12/07/62/1118120762.db2.gz KQGMUWOPXHGLAN-UHFFFAOYSA-N 0 1 282.322 3.712 20 0 CHADMN O=C(Nc1ccc2ccccc2n1)c1c(O)cccc1Cl ZINC000143269744 1118126639 /nfs/dbraw/zinc/12/66/39/1118126639.db2.gz COGLONIUJSZJOX-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN CC(C)Oc1cccc(CN[C@@H](C)c2ccoc2)c1 ZINC000765096191 1118134723 /nfs/dbraw/zinc/13/47/23/1118134723.db2.gz WBBYEDYXCNFGJG-ZDUSSCGKSA-N 0 1 259.349 3.918 20 0 CHADMN CCc1cccc(N[C@H](c2cccs2)c2nnc[nH]2)c1 ZINC000340312908 1118138076 /nfs/dbraw/zinc/13/80/76/1118138076.db2.gz APFPIOJXQGQORY-CQSZACIVSA-N 0 1 284.388 3.630 20 0 CHADMN CCN(Cc1ccccc1)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000340308032 1118138130 /nfs/dbraw/zinc/13/81/30/1118138130.db2.gz NIDIUKCRYAHWIW-MRXNPFEDSA-N 0 1 296.414 3.560 20 0 CHADMN Cc1ccc([C@@H](O)CN[C@H](C)c2c(F)cccc2F)cc1 ZINC000765272275 1118141924 /nfs/dbraw/zinc/14/19/24/1118141924.db2.gz QONPLQKFSXVAMG-WBMJQRKESA-N 0 1 291.341 3.657 20 0 CHADMN Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCCC3(CCCCC3)C2)n1 ZINC000579916077 1118158665 /nfs/dbraw/zinc/15/86/65/1118158665.db2.gz LFIUJRKDRAHKEF-CQSZACIVSA-N 0 1 289.423 3.598 20 0 CHADMN Cc1cc(=O)[n-]c([C@@H](C)[N@@H+]2CCCC3(CCCCC3)C2)n1 ZINC000579916077 1118158667 /nfs/dbraw/zinc/15/86/67/1118158667.db2.gz LFIUJRKDRAHKEF-CQSZACIVSA-N 0 1 289.423 3.598 20 0 CHADMN Cc1cc(=O)[n-]c([C@@H](C)[N@H+]2CCCC3(CCCCC3)C2)n1 ZINC000579916077 1118158671 /nfs/dbraw/zinc/15/86/71/1118158671.db2.gz LFIUJRKDRAHKEF-CQSZACIVSA-N 0 1 289.423 3.598 20 0 CHADMN Cc1nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2[nH]1 ZINC000010896163 1118159996 /nfs/dbraw/zinc/15/99/96/1118159996.db2.gz CGLIJSFFGNXGAY-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN C[C@H](CCC(C)(C)C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000542652937 1118164203 /nfs/dbraw/zinc/16/42/03/1118164203.db2.gz DVBLBUJUIJZCNQ-CYBMUJFWSA-N 0 1 291.439 3.578 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000016445135 1118168693 /nfs/dbraw/zinc/16/86/93/1118168693.db2.gz GWEXKKUZLRDIEC-GOSISDBHSA-N 0 1 294.398 3.771 20 0 CHADMN CCOc1ccc(CN(C)Cc2cc(C)cc(C)c2)nc1 ZINC000683525171 1118168913 /nfs/dbraw/zinc/16/89/13/1118168913.db2.gz NTQHWFPCFIUTJW-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN Cc1nc(C)c([C@@H](C)NCc2cccc3c2OCC3)s1 ZINC000693074845 1118171870 /nfs/dbraw/zinc/17/18/70/1118171870.db2.gz LZURRAAAADRDOR-SNVBAGLBSA-N 0 1 288.416 3.546 20 0 CHADMN CCn1cc(CN(Cc2ccc(C)c(F)c2)C(C)C)cn1 ZINC000651959577 1118175654 /nfs/dbraw/zinc/17/56/54/1118175654.db2.gz SHIVJBBEKYFSQW-UHFFFAOYSA-N 0 1 289.398 3.761 20 0 CHADMN Cc1cc(C(=O)Nc2nc3ccc(C)cc3[nH]2)c(C)s1 ZINC000646984116 1118181354 /nfs/dbraw/zinc/18/13/54/1118181354.db2.gz QJOPRYDVNCHFCQ-UHFFFAOYSA-N 0 1 285.372 3.802 20 0 CHADMN CCn1ccnc1[C@@H](C)NCC1(C(F)(F)F)CCCC1 ZINC000624272261 1118182778 /nfs/dbraw/zinc/18/27/78/1118182778.db2.gz ADKQMXSOGMDEHH-LLVKDONJSA-N 0 1 289.345 3.676 20 0 CHADMN Cc1cc([C@@H](C)NCC2(C(F)(F)F)CCCC2)nn1C ZINC000624272683 1118186334 /nfs/dbraw/zinc/18/63/34/1118186334.db2.gz OJIBXWSCMDETNS-LLVKDONJSA-N 0 1 289.345 3.502 20 0 CHADMN CC(C)c1ccc(OCCN[C@H]2CCCn3ccnc32)cc1 ZINC000655701052 1118186430 /nfs/dbraw/zinc/18/64/30/1118186430.db2.gz QACATMGWYJUXGS-KRWDZBQOSA-N 0 1 299.418 3.510 20 0 CHADMN c1cn2c(n1)[C@H](NCc1cc3ccccc3s1)CCC2 ZINC000655700508 1118188306 /nfs/dbraw/zinc/18/83/06/1118188306.db2.gz LNIQYUYKVIQFQR-CQSZACIVSA-N 0 1 283.400 3.723 20 0 CHADMN CCn1cc([C@H](C)NCc2cc3cccc(OC)c3o2)cn1 ZINC000765687735 1118189664 /nfs/dbraw/zinc/18/96/64/1118189664.db2.gz BICIBJINHXMYPL-LBPRGKRZSA-N 0 1 299.374 3.509 20 0 CHADMN CCC[C@H](N[C@H](C)c1ccnc(OC)c1)c1ccccn1 ZINC000655707963 1118191943 /nfs/dbraw/zinc/19/19/43/1118191943.db2.gz BVRIZFSMCNLTGS-CJNGLKHVSA-N 0 1 285.391 3.677 20 0 CHADMN Cc1cc2c(c(C)c1)[C@@H](NCc1ccn(C(C)C)n1)CC2 ZINC000655726894 1118196069 /nfs/dbraw/zinc/19/60/69/1118196069.db2.gz RHJBWSMBWRSBJZ-KRWDZBQOSA-N 0 1 283.419 3.858 20 0 CHADMN C[C@H]1CC[C@@H](NCc2c(F)c(F)cc(F)c2F)CS1 ZINC000655731111 1118196766 /nfs/dbraw/zinc/19/67/66/1118196766.db2.gz ORSCSUVWWFULAO-JGVFFNPUSA-N 0 1 293.329 3.617 20 0 CHADMN CCC[C@H](C)OC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000748118664 1118198658 /nfs/dbraw/zinc/19/86/58/1118198658.db2.gz MDABSXNXEYUHLM-NSHDSACASA-N 0 1 272.348 3.731 20 0 CHADMN CCC[C@@H](C)OC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000748118663 1118198835 /nfs/dbraw/zinc/19/88/35/1118198835.db2.gz MDABSXNXEYUHLM-LLVKDONJSA-N 0 1 272.348 3.731 20 0 CHADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C(C)(C)C ZINC000615814855 1128765501 /nfs/dbraw/zinc/76/55/01/1128765501.db2.gz ZCVGZDHEOZWLIO-SECBINFHSA-N 0 1 293.798 3.782 20 0 CHADMN CSc1ccc(CNCc2ccnn2C2CCC2)cc1 ZINC000921589562 1118203443 /nfs/dbraw/zinc/20/34/43/1118203443.db2.gz MVSHZHJOHGLNGV-UHFFFAOYSA-N 0 1 287.432 3.620 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccsc1C(=O)[O-])C(C)(C)C ZINC000399557059 1118205981 /nfs/dbraw/zinc/20/59/81/1118205981.db2.gz FFBWWGABVRZQLD-JTQLQIEISA-N 0 1 269.410 3.560 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2NCc1ccnn1C1CCC1 ZINC000921615307 1118206295 /nfs/dbraw/zinc/20/62/95/1118206295.db2.gz ULOOKHOEQYBIAH-KRWDZBQOSA-N 0 1 285.366 3.524 20 0 CHADMN C[C@H]1CCC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2Cl)C1 ZINC000026466916 1118208831 /nfs/dbraw/zinc/20/88/31/1118208831.db2.gz OOMVDMKPBQZJQB-STQMWFEESA-N 0 1 294.826 3.789 20 0 CHADMN CCN(CC(=O)Nc1ccccc1-c1ccccc1)C1CC1 ZINC000029912239 1118216981 /nfs/dbraw/zinc/21/69/81/1118216981.db2.gz IPUSBOSWMBRNNM-UHFFFAOYSA-N 0 1 294.398 3.776 20 0 CHADMN COc1c(C)cccc1CN[C@@H](C)c1cccc(F)c1 ZINC000655810862 1118220425 /nfs/dbraw/zinc/22/04/25/1118220425.db2.gz OELHFIXNDCRHEG-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN CSc1cccc(NC(=O)c2cccc3cn[nH]c32)c1 ZINC000039555669 1118229525 /nfs/dbraw/zinc/22/95/25/1118229525.db2.gz AVVMUOQXOFMYBR-UHFFFAOYSA-N 0 1 283.356 3.537 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H](C)Cc2ccccn2)cs1 ZINC000655835015 1118230840 /nfs/dbraw/zinc/23/08/40/1118230840.db2.gz JIIYFPQGOCAXEM-STQMWFEESA-N 0 1 289.448 3.943 20 0 CHADMN CC(C)c1noc(CN2C[C@H](c3ccccc3)C[C@@H]2C)n1 ZINC000172307291 1118233471 /nfs/dbraw/zinc/23/34/71/1118233471.db2.gz ZTXGHMMGERAZKO-DZGCQCFKSA-N 0 1 285.391 3.571 20 0 CHADMN Fc1ccc(-c2nc[nH]c3nc(=S)sc2-3)cc1 ZINC001239473528 1118238651 /nfs/dbraw/zinc/23/86/51/1118238651.db2.gz UUPGSHAXTLBCRU-UHFFFAOYSA-N 0 1 263.322 3.507 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CCCC12CCCCC2 ZINC000340432601 1118239890 /nfs/dbraw/zinc/23/98/90/1118239890.db2.gz CIJXWMQQDAHTMU-UHFFFAOYSA-N 0 1 283.375 3.502 20 0 CHADMN Fc1cc(F)c(CNC[C@H]2CCC3(CCCC3)O2)cc1F ZINC000655862547 1118248416 /nfs/dbraw/zinc/24/84/16/1118248416.db2.gz ASARPENBPAFBSG-GFCCVEGCSA-N 0 1 299.336 3.685 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1Cc1ncc(C(C)(C)C)o1 ZINC000409445186 1118252670 /nfs/dbraw/zinc/25/26/70/1118252670.db2.gz LXXWVIALCUPZCP-NWDGAFQWSA-N 0 1 250.386 3.593 20 0 CHADMN Fc1ccc([C@@H](NC[C@@H]2CCCC23CC3)c2ncc[nH]2)cc1 ZINC000624314459 1118254457 /nfs/dbraw/zinc/25/44/57/1118254457.db2.gz IVBSIXWLSQIHOW-GOEBONIOSA-N 0 1 299.393 3.808 20 0 CHADMN Cc1ncsc1CN(C)Cc1cc(C)nc2ccccc12 ZINC000172418562 1118258300 /nfs/dbraw/zinc/25/83/00/1118258300.db2.gz JVUIGNIRTIERGI-UHFFFAOYSA-N 0 1 297.427 3.940 20 0 CHADMN Cc1ccc(NCc2nc(C(C)C)n3ccccc23)nc1 ZINC001648855652 1118261370 /nfs/dbraw/zinc/26/13/70/1118261370.db2.gz CPIYPTZGSKUICG-UHFFFAOYSA-N 0 1 280.375 3.773 20 0 CHADMN C[C@H](F)CCN[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000340456966 1118262476 /nfs/dbraw/zinc/26/24/76/1118262476.db2.gz AROXFLXJHFDILI-BLLLJJGKSA-N 0 1 276.330 3.648 20 0 CHADMN CCOC1CCN(Cc2ccc(C)cc2Cl)CC1 ZINC000683665847 1118268345 /nfs/dbraw/zinc/26/83/45/1118268345.db2.gz RSQZHUSWVCNTMG-UHFFFAOYSA-N 0 1 267.800 3.649 20 0 CHADMN Cc1nn(C)c(CN(C)[C@@H](C)C2CCCCC2)c1Cl ZINC001652298077 1118269837 /nfs/dbraw/zinc/26/98/37/1118269837.db2.gz MTQNXBNPSOBLNW-LBPRGKRZSA-N 0 1 283.847 3.783 20 0 CHADMN Cc1nn(C)c(C[N@H+](C)[C@@H](C)C2CCCCC2)c1Cl ZINC001652298077 1118269835 /nfs/dbraw/zinc/26/98/35/1118269835.db2.gz MTQNXBNPSOBLNW-LBPRGKRZSA-N 0 1 283.847 3.783 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)N1CCO[C@H](C)C1 ZINC000056282213 1118270573 /nfs/dbraw/zinc/27/05/73/1118270573.db2.gz FKYLAKNVWWLAFN-KGLIPLIRSA-N 0 1 255.361 3.622 20 0 CHADMN CCc1noc(CN2CCC[C@](C)(c3ccccc3)CC2)n1 ZINC000671704059 1118272878 /nfs/dbraw/zinc/27/28/78/1118272878.db2.gz OEAUUKYGZVKWAA-SFHVURJKSA-N 0 1 299.418 3.576 20 0 CHADMN Clc1ccc(CNCc2cccc3c2OCC3)cc1 ZINC000693164235 1118283683 /nfs/dbraw/zinc/28/36/83/1118283683.db2.gz SRPUIEZHXJAKKZ-UHFFFAOYSA-N 0 1 273.763 3.565 20 0 CHADMN CC(C)(C)C[C@H]1CCCN1Cc1nc(C(C)(C)C)no1 ZINC000057863260 1118285239 /nfs/dbraw/zinc/28/52/39/1118285239.db2.gz YXJGOODFYUEPRZ-GFCCVEGCSA-N 0 1 279.428 3.768 20 0 CHADMN CC1(Cc2nc(-c3ccc4[nH]cnc4c3)no2)CCCC1 ZINC000580008757 1118288433 /nfs/dbraw/zinc/28/84/33/1118288433.db2.gz DUEUIXDWOYUQSC-UHFFFAOYSA-N 0 1 282.347 3.736 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCCN1CCc2sccc2C1 ZINC000058933286 1118294823 /nfs/dbraw/zinc/29/48/23/1118294823.db2.gz HWBGGBQOZABVQV-HIFRSBDPSA-N 0 1 279.449 3.702 20 0 CHADMN Cc1ccc(CC[C@H](C)N[C@H](C)c2cc(C)on2)o1 ZINC000340492326 1118302733 /nfs/dbraw/zinc/30/27/33/1118302733.db2.gz YWNOYHCNIXUBGC-GXFFZTMASA-N 0 1 262.353 3.556 20 0 CHADMN CCN(Cc1cn2c(cccc2C)n1)Cc1ccccc1 ZINC000047406591 1118302858 /nfs/dbraw/zinc/30/28/58/1118302858.db2.gz UPXNPYBSQDNCKR-UHFFFAOYSA-N 0 1 279.387 3.665 20 0 CHADMN Cc1ccc(CC[C@H](C)N[C@@H](C)c2cc(C)on2)o1 ZINC000340492325 1118302955 /nfs/dbraw/zinc/30/29/55/1118302955.db2.gz YWNOYHCNIXUBGC-GWCFXTLKSA-N 0 1 262.353 3.556 20 0 CHADMN C[C@H](c1ccc(F)nc1)N(C)Cc1cccc(F)c1 ZINC000929210991 1128768928 /nfs/dbraw/zinc/76/89/28/1128768928.db2.gz TYVZWYADUSBAKW-LLVKDONJSA-N 0 1 262.303 3.553 20 0 CHADMN COc1ccc([C@@H]2CCCN2Cc2c(C)noc2C)cc1 ZINC000061780794 1118309669 /nfs/dbraw/zinc/30/96/69/1118309669.db2.gz SFLQZAVFDGFYOK-KRWDZBQOSA-N 0 1 286.375 3.637 20 0 CHADMN COc1ccc(C)cc1CN(C)Cc1cccc(F)c1 ZINC000061780711 1118309827 /nfs/dbraw/zinc/30/98/27/1118309827.db2.gz AUTGYBIEGPUCMW-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN CCC[C@]1(CO)CCC[N@H+]1Cc1cscc1Cl ZINC000683722712 1118310921 /nfs/dbraw/zinc/31/09/21/1118310921.db2.gz VOYRYKLXFMGEKQ-CYBMUJFWSA-N 0 1 273.829 3.529 20 0 CHADMN c1nn(-c2ccncc2)cc1NCc1ccc(C2CC2)cc1 ZINC001649071068 1118312286 /nfs/dbraw/zinc/31/22/86/1118312286.db2.gz SSEYULQKPDODCC-UHFFFAOYSA-N 0 1 290.370 3.757 20 0 CHADMN COc1ccsc1CN[C@H]1CCc2cc(F)ccc21 ZINC001649070498 1118312551 /nfs/dbraw/zinc/31/25/51/1118312551.db2.gz DWTMSZRTUIZRMK-ZDUSSCGKSA-N 0 1 277.364 3.673 20 0 CHADMN CC(C)c1ccc(N[C@H](c2nnc[nH]2)c2cccnc2)cc1 ZINC000340515692 1118314474 /nfs/dbraw/zinc/31/44/74/1118314474.db2.gz QVAZGWVAFQDISB-INIZCTEOSA-N 0 1 293.374 3.525 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2C[C@@H]1C)c1ccncc1F ZINC000340517521 1118314780 /nfs/dbraw/zinc/31/47/80/1118314780.db2.gz CJMQQHMDJMWQBW-NVGCLXPQSA-N 0 1 270.351 3.805 20 0 CHADMN Cc1cccc(NC(=O)CN2CCC3(CCC3)CC2)c1C ZINC000671729336 1118315596 /nfs/dbraw/zinc/31/55/96/1118315596.db2.gz DGAQVHUPWSKMMG-UHFFFAOYSA-N 0 1 286.419 3.508 20 0 CHADMN COc1cccc(CN[C@H](C)c2cc(C)c(C)o2)c1 ZINC000282264928 1118315615 /nfs/dbraw/zinc/31/56/15/1118315615.db2.gz RBNKWARWQVRZEG-GFCCVEGCSA-N 0 1 259.349 3.756 20 0 CHADMN CC(C)CC[C@@H](NCc1ncn(-c2ccccc2)n1)C1CC1 ZINC000340523684 1118315849 /nfs/dbraw/zinc/31/58/49/1118315849.db2.gz HTNHAHMGOHZNOI-QGZVFWFLSA-N 0 1 298.434 3.572 20 0 CHADMN COc1cc([C@H](C)NCc2ccc(Cl)s2)ccn1 ZINC000340522455 1118316272 /nfs/dbraw/zinc/31/62/72/1118316272.db2.gz ZGQBPOSVKGTEBJ-VIFPVBQESA-N 0 1 282.796 3.656 20 0 CHADMN CC(C)C[C@H](N[C@H]1CCC[C@H]1F)c1ccccn1 ZINC000340524453 1118316800 /nfs/dbraw/zinc/31/68/00/1118316800.db2.gz SOOVXDHNTVFLKH-IPYPFGDCSA-N 0 1 250.361 3.649 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H]1F)c1cnc2ccsc2c1 ZINC000340524413 1118317696 /nfs/dbraw/zinc/31/76/96/1118317696.db2.gz RKAGJDHXBVVPBS-ZMLRMANQSA-N 0 1 264.369 3.838 20 0 CHADMN Clc1ccccc1Cc1noc([C@@H]2CCCCCN2)n1 ZINC000080989169 1118319451 /nfs/dbraw/zinc/31/94/51/1118319451.db2.gz FGLYGNMOFCORFW-ZDUSSCGKSA-N 0 1 291.782 3.519 20 0 CHADMN Clc1ccccc1Cc1noc([C@H]2CCCCCN2)n1 ZINC000080989171 1118319541 /nfs/dbraw/zinc/31/95/41/1118319541.db2.gz FGLYGNMOFCORFW-CYBMUJFWSA-N 0 1 291.782 3.519 20 0 CHADMN F[C@@H]1CCC[C@@H]1N[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000340531805 1118322130 /nfs/dbraw/zinc/32/21/30/1118322130.db2.gz QGBQRBLZGBNHBC-NUJGCVRESA-N 0 1 299.393 3.730 20 0 CHADMN CCC[C@@H](C)[C@@H](CC)NCc1ncn(-c2ccccc2)n1 ZINC000340531043 1118322291 /nfs/dbraw/zinc/32/22/91/1118322291.db2.gz RSXJJIPXWFWBSM-GDBMZVCRSA-N 0 1 286.423 3.572 20 0 CHADMN Cc1c(F)cccc1CN1CCOC2(CCCCC2)C1 ZINC001204511745 1118323870 /nfs/dbraw/zinc/32/38/70/1118323870.db2.gz YVSLXINTYDIZKQ-UHFFFAOYSA-N 0 1 277.383 3.669 20 0 CHADMN Oc1cc(Cl)ccc1-c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656049245 1118340848 /nfs/dbraw/zinc/34/08/48/1118340848.db2.gz LSBVVKXDNDYGKW-UISBYWKRSA-N 0 1 290.750 3.999 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2Cc2cccc(F)c2)oc1C ZINC000066422168 1118344250 /nfs/dbraw/zinc/34/42/50/1118344250.db2.gz OUKKJRDYDQWFGL-MRXNPFEDSA-N 0 1 288.366 3.638 20 0 CHADMN COc1ccc(-c2n[nH]c(SCC3=CCCC3)n2)cc1 ZINC000647115314 1118349607 /nfs/dbraw/zinc/34/96/07/1118349607.db2.gz ZBUYPBUEWQRYBE-UHFFFAOYSA-N 0 1 287.388 3.683 20 0 CHADMN Cc1cccc2ncc(Nc3ccc(C(C)(C)O)cc3)n21 ZINC001210616606 1118350724 /nfs/dbraw/zinc/35/07/24/1118350724.db2.gz FERQZVKWALCVSG-UHFFFAOYSA-N 0 1 281.359 3.614 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cc(Cl)cs1)CO2 ZINC000683770866 1118352635 /nfs/dbraw/zinc/35/26/35/1118352635.db2.gz BQRNIBMVHPJCHP-ZDUSSCGKSA-N 0 1 279.792 3.933 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccccc2)c(F)c1 ZINC000083432625 1118353619 /nfs/dbraw/zinc/35/36/19/1118353619.db2.gz QNSGEUQKSPLRBE-LBPRGKRZSA-N 0 1 259.324 3.685 20 0 CHADMN COc1cc(CN[C@H](C)c2cccnc2)ccc1SC ZINC000069159328 1118367741 /nfs/dbraw/zinc/36/77/41/1118367741.db2.gz WPKXOHRMAITLAT-GFCCVEGCSA-N 0 1 288.416 3.663 20 0 CHADMN Fc1cccc(CSc2nc(Cc3ccccc3)n[nH]2)c1 ZINC000071258504 1118372924 /nfs/dbraw/zinc/37/29/24/1118372924.db2.gz YCZAJKTWWIFUKM-UHFFFAOYSA-N 0 1 299.374 3.827 20 0 CHADMN CC[C@@H](C)N(C)Cc1ncc(-c2ccccc2C)o1 ZINC000072601312 1118374369 /nfs/dbraw/zinc/37/43/69/1118374369.db2.gz NZJJKTOBWXEVRR-CYBMUJFWSA-N 0 1 258.365 3.880 20 0 CHADMN CC[C@H](C)N(C)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000072601518 1118374461 /nfs/dbraw/zinc/37/44/61/1118374461.db2.gz KKNRXNWPCLBWMI-ZDUSSCGKSA-N 0 1 258.365 3.880 20 0 CHADMN Cc1noc([C@@H](C)[N@H+]2C[C@H](c3ccc(C)cc3)C[C@@H]2C)n1 ZINC000683800881 1118376990 /nfs/dbraw/zinc/37/69/90/1118376990.db2.gz SMHHFVOBBPLQQJ-WOSRLPQWSA-N 0 1 285.391 3.625 20 0 CHADMN COc1cc(F)c(CNCc2cc(C)cs2)cc1OC ZINC000580083193 1118377237 /nfs/dbraw/zinc/37/72/37/1118377237.db2.gz JHFMQZXTZILQPB-UHFFFAOYSA-N 0 1 295.379 3.503 20 0 CHADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCC1CCCCCC1 ZINC000394530541 1118380030 /nfs/dbraw/zinc/38/00/30/1118380030.db2.gz JNFSSJNYCGJLJC-XHSDSOJGSA-N 0 1 279.424 3.532 20 0 CHADMN COC[C@@H](NCc1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000683816403 1118385654 /nfs/dbraw/zinc/38/56/54/1118385654.db2.gz PXWAQOARXDWAPH-MRXNPFEDSA-N 0 1 291.778 3.523 20 0 CHADMN CO[C@H](c1ccccc1)[C@@H](C)NCc1nc(C)c(C)s1 ZINC000683818257 1118387057 /nfs/dbraw/zinc/38/70/57/1118387057.db2.gz DZHZYWSFSMOZNA-WBMJQRKESA-N 0 1 290.432 3.626 20 0 CHADMN O=C(c1cccc(F)c1O)N1CCC=Cc2ccccc21 ZINC001128008204 1118396516 /nfs/dbraw/zinc/39/65/16/1118396516.db2.gz RVEPBYFKWYCECS-UHFFFAOYSA-N 0 1 283.302 3.595 20 0 CHADMN C/C=C(/C=C\C(=O)Nc1ccc(CN(C)C)c(F)c1)CC ZINC000765782493 1118404754 /nfs/dbraw/zinc/40/47/54/1118404754.db2.gz YISIIBGODJVPEM-SLHOPRNSSA-N 0 1 290.382 3.738 20 0 CHADMN CC1(C)C[C@@H](N[C@H](CO)c2ccsc2)c2ccccc21 ZINC000349313156 1118418962 /nfs/dbraw/zinc/41/89/62/1118418962.db2.gz NNNIPHWLNOVPBE-HZPDHXFCSA-N 0 1 287.428 3.794 20 0 CHADMN Cc1c[nH]c(=O)c(Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC001210924268 1118423114 /nfs/dbraw/zinc/42/31/14/1118423114.db2.gz GADFWMNYXKSFAL-UHFFFAOYSA-N 0 1 285.130 3.852 20 0 CHADMN COc1ccc([C@@H]2CCCCCN2Cc2cn(C)cn2)cc1 ZINC000683897130 1118432882 /nfs/dbraw/zinc/43/28/82/1118432882.db2.gz OIIFBFXREWMUDZ-SFHVURJKSA-N 0 1 299.418 3.546 20 0 CHADMN Cc1cccc([C@H](c2noc([C@H]3CC[N@@H+](C)C3)n2)C(C)C)c1 ZINC000580378458 1118440973 /nfs/dbraw/zinc/44/09/73/1118440973.db2.gz KVKBNXZYEMMDIM-JKSUJKDBSA-N 0 1 299.418 3.585 20 0 CHADMN CCCn1ncnc1CN1CCC[C@H]1CC1CCCCC1 ZINC000580400336 1118445363 /nfs/dbraw/zinc/44/53/63/1118445363.db2.gz UPFFKCWDKUJJAZ-INIZCTEOSA-N 0 1 290.455 3.623 20 0 CHADMN COCC[C@H](NCc1cc2ccccc2[nH]1)c1ccc(C)o1 ZINC000683929785 1118448579 /nfs/dbraw/zinc/44/85/79/1118448579.db2.gz DWFNQHKEYAQIOX-KRWDZBQOSA-N 0 1 298.386 3.937 20 0 CHADMN CC(C)[C@H](O)C(C)(C)CNCc1c(F)cccc1Cl ZINC001657722158 1118459764 /nfs/dbraw/zinc/45/97/64/1118459764.db2.gz RDSFVFDRFRHZOV-AWEZNQCLSA-N 0 1 287.806 3.612 20 0 CHADMN [O-]c1cnccc1C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC001140275392 1118475196 /nfs/dbraw/zinc/47/51/96/1118475196.db2.gz NOPZIKLZYRNWFV-MRXNPFEDSA-N 0 1 268.360 3.514 20 0 CHADMN [O-]c1cnccc1C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001140275392 1118475199 /nfs/dbraw/zinc/47/51/99/1118475199.db2.gz NOPZIKLZYRNWFV-MRXNPFEDSA-N 0 1 268.360 3.514 20 0 CHADMN CC(C)c1cc(C(=O)N2CCC[C@@H]2CC2CCCC2)n[nH]1 ZINC000655367484 1118480044 /nfs/dbraw/zinc/48/00/44/1118480044.db2.gz NMUKXKLIOJZMMS-CQSZACIVSA-N 0 1 289.423 3.718 20 0 CHADMN Clc1ccc(C2(NCc3ccccn3)CCC2)cc1 ZINC000125971105 1118480554 /nfs/dbraw/zinc/48/05/54/1118480554.db2.gz GXRCCHAEDZPLQK-UHFFFAOYSA-N 0 1 272.779 3.904 20 0 CHADMN C(CSc1nc(C2CC2)n[nH]1)OC1CCCCCC1 ZINC000119208084 1118480841 /nfs/dbraw/zinc/48/08/41/1118480841.db2.gz HHSKTADUFNREKD-UHFFFAOYSA-N 0 1 281.425 3.514 20 0 CHADMN C(CSc1n[nH]c(C2CC2)n1)OC1CCCCCC1 ZINC000119208084 1118480842 /nfs/dbraw/zinc/48/08/42/1118480842.db2.gz HHSKTADUFNREKD-UHFFFAOYSA-N 0 1 281.425 3.514 20 0 CHADMN CCCc1nc(CN(CC)C2CCCC2)cs1 ZINC000047967523 1118484057 /nfs/dbraw/zinc/48/40/57/1118484057.db2.gz DFWJBNMFOHTDAA-UHFFFAOYSA-N 0 1 252.427 3.860 20 0 CHADMN CC(C)[C@H]1N(Cc2cc3n(n2)CCCC3)CC12CCCC2 ZINC000656261409 1118485485 /nfs/dbraw/zinc/48/54/85/1118485485.db2.gz AEFLWORTDUYCQO-QGZVFWFLSA-N 0 1 287.451 3.620 20 0 CHADMN Cn1cncc1Nc1ccc(F)c(Cl)c1Cl ZINC001211251692 1118488073 /nfs/dbraw/zinc/48/80/73/1118488073.db2.gz MOUZGTJHMXDVQA-UHFFFAOYSA-N 0 1 260.099 3.610 20 0 CHADMN COc1ccc2ccccc2c1CN1CC2(CC2(F)F)C1 ZINC000656267683 1118488265 /nfs/dbraw/zinc/48/82/65/1118488265.db2.gz YIURMRCRKNBTPL-UHFFFAOYSA-N 0 1 289.325 3.689 20 0 CHADMN CCCCOc1ccc(Nc2ccnc(CO)c2)c(C)c1 ZINC001211284012 1118497709 /nfs/dbraw/zinc/49/77/09/1118497709.db2.gz ZCFDJHOXVHMMJG-UHFFFAOYSA-N 0 1 286.375 3.805 20 0 CHADMN Cc1ccnc([C@H](C)NC2(c3ccc(F)cc3)CC2)c1 ZINC000580789189 1118504236 /nfs/dbraw/zinc/50/42/36/1118504236.db2.gz BLNFMXFKDGZVAL-ZDUSSCGKSA-N 0 1 270.351 3.869 20 0 CHADMN CC(C)OCCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000048043235 1118506212 /nfs/dbraw/zinc/50/62/12/1118506212.db2.gz PLKHTWPAFHTOSZ-CZUORRHYSA-N 0 1 277.408 3.792 20 0 CHADMN CC(C)OCCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000048043233 1118506599 /nfs/dbraw/zinc/50/65/99/1118506599.db2.gz PLKHTWPAFHTOSZ-BBRMVZONSA-N 0 1 277.408 3.792 20 0 CHADMN OC[C@H](N[C@H]1CCCc2cc(F)ccc21)c1ccsc1 ZINC000349356103 1118518532 /nfs/dbraw/zinc/51/85/32/1118518532.db2.gz PNVWLOOSABIIOT-HOTGVXAUSA-N 0 1 291.391 3.588 20 0 CHADMN CC(C)(C)c1cnc(CN[C@H]2CCC(F)(F)C2)s1 ZINC000684110501 1118522124 /nfs/dbraw/zinc/52/21/24/1118522124.db2.gz SQNBQJXFWJERTE-VIFPVBQESA-N 0 1 274.380 3.718 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC000160745045 1118537164 /nfs/dbraw/zinc/53/71/64/1118537164.db2.gz KDJXMRGZAFSBQR-GHMZBOCLSA-N 0 1 260.293 3.600 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(Cl)cn2)c(C)c1 ZINC000548153836 1118537599 /nfs/dbraw/zinc/53/75/99/1118537599.db2.gz RQBSFISAZUONFN-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN COCC[N@@H+](Cc1ncc(C(C)(C)C)s1)C1CCCC1 ZINC000684142174 1118538440 /nfs/dbraw/zinc/53/84/40/1118538440.db2.gz GKZXEMSPFKYLMX-UHFFFAOYSA-N 0 1 296.480 3.832 20 0 CHADMN COCCN(Cc1ncc(C(C)(C)C)s1)C1CCCC1 ZINC000684142174 1118538444 /nfs/dbraw/zinc/53/84/44/1118538444.db2.gz GKZXEMSPFKYLMX-UHFFFAOYSA-N 0 1 296.480 3.832 20 0 CHADMN Cc1cc(OCc2cc(-c3ccccc3)no2)cc(C)n1 ZINC000128193179 1118538924 /nfs/dbraw/zinc/53/89/24/1118538924.db2.gz IJNLIRMYBAOQIE-UHFFFAOYSA-N 0 1 280.327 3.932 20 0 CHADMN C[C@H](O)C[C@@H]1CCCCN1Cc1cscc1Cl ZINC000684148479 1118541620 /nfs/dbraw/zinc/54/16/20/1118541620.db2.gz NBMIDEGDLHLEBX-JQWIXIFHSA-N 0 1 273.829 3.527 20 0 CHADMN C[C@H]1CCN(Cc2cc(Br)cs2)C[C@H]1C ZINC000253073497 1118542948 /nfs/dbraw/zinc/54/29/48/1118542948.db2.gz OWVZRWHMUWYJTG-VHSXEESVSA-N 0 1 288.254 3.989 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)C3CC3)n[nH]2)cc1C ZINC000187978030 1118550263 /nfs/dbraw/zinc/55/02/63/1118550263.db2.gz CXDJECOJEIWFNK-CYBMUJFWSA-N 0 1 297.402 3.564 20 0 CHADMN CCCC1CCC(NC(=O)c2c(C)n[nH]c2C(C)C)CC1 ZINC000138275403 1118550570 /nfs/dbraw/zinc/55/05/70/1118550570.db2.gz LUEZTKOIWSXADG-UHFFFAOYSA-N 0 1 291.439 3.930 20 0 CHADMN Cc1noc(C)c1-c1nc2ccc(C(C)C)cc2[nH]1 ZINC000656487750 1118564122 /nfs/dbraw/zinc/56/41/22/1118564122.db2.gz CTTLWDUKJIIDIJ-UHFFFAOYSA-N 0 1 255.321 3.958 20 0 CHADMN Cc1cc2[nH]c(-c3ccc4c(n3)CCCC4)nc(=O)c2s1 ZINC000656490416 1118564513 /nfs/dbraw/zinc/56/45/13/1118564513.db2.gz COKGKQHVVQKLAH-UHFFFAOYSA-N 0 1 297.383 3.646 20 0 CHADMN C[C@H](NCCOC1CCC1)c1nc2ccccc2s1 ZINC000690709672 1118566843 /nfs/dbraw/zinc/56/68/43/1118566843.db2.gz VNROEYKTLYIMLH-NSHDSACASA-N 0 1 276.405 3.516 20 0 CHADMN OC[C@@H]1CCC[C@@H](CNc2ccnc3cc(F)ccc32)C1 ZINC000340991954 1118573281 /nfs/dbraw/zinc/57/32/81/1118573281.db2.gz ZNGYKGMEBAELLI-CHWSQXEVSA-N 0 1 288.366 3.585 20 0 CHADMN OC[C@@H]1CCC[C@H](CNc2ccnc3cc(F)ccc32)C1 ZINC000340991959 1118573389 /nfs/dbraw/zinc/57/33/89/1118573389.db2.gz ZNGYKGMEBAELLI-QWHCGFSZSA-N 0 1 288.366 3.585 20 0 CHADMN C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc2c(n1)CCC2 ZINC000656535151 1118585601 /nfs/dbraw/zinc/58/56/01/1118585601.db2.gz GCZWNHCLRBNIFY-WCQYABFASA-N 0 1 298.352 3.733 20 0 CHADMN CSc1cc(Nc2ccc3nccn3c2)ccc1F ZINC001215793740 1118588068 /nfs/dbraw/zinc/58/80/68/1118588068.db2.gz ACENCYSJXVVZKY-UHFFFAOYSA-N 0 1 273.336 3.939 20 0 CHADMN c1c[nH]c([C@@H]2CCCN2Cc2nccc3c2CCCC3)c1 ZINC000891404202 1118598435 /nfs/dbraw/zinc/59/84/35/1118598435.db2.gz DRFVUQLSIMTJJE-SFHVURJKSA-N 0 1 281.403 3.626 20 0 CHADMN Cn1cc(CN2CCC[C@@H]2c2ccc[nH]2)c(C2CCCC2)n1 ZINC000891404246 1118598972 /nfs/dbraw/zinc/59/89/72/1118598972.db2.gz DYOIDKLKMZWAAE-QGZVFWFLSA-N 0 1 298.434 3.743 20 0 CHADMN CN(Cc1nc(-c2cccs2)no1)C1CCCCC1 ZINC000061757359 1118601533 /nfs/dbraw/zinc/60/15/33/1118601533.db2.gz QGVSVMRGDYTVAE-UHFFFAOYSA-N 0 1 277.393 3.563 20 0 CHADMN CC[C@H]1CCCN1Cc1nc2ccccc2n1C(F)F ZINC000341163039 1118609534 /nfs/dbraw/zinc/60/95/34/1118609534.db2.gz BSRBYMDGBRDVNT-NSHDSACASA-N 0 1 279.334 3.806 20 0 CHADMN CN(C)c1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)cn1 ZINC000124094540 1118613097 /nfs/dbraw/zinc/61/30/97/1118613097.db2.gz TULBXJBNAKUXQI-QGZVFWFLSA-N 0 1 299.393 3.624 20 0 CHADMN Clc1ccc([C@@H]2C[C@H]2CN2CCCCC23COC3)cc1 ZINC001207190185 1118613582 /nfs/dbraw/zinc/61/35/82/1118613582.db2.gz HHXDUYKNPXUIPL-HOCLYGCPSA-N 0 1 291.822 3.698 20 0 CHADMN Cc1ccc([C@H](C)NCc2nc3cccnc3s2)cc1 ZINC000341207184 1118621511 /nfs/dbraw/zinc/62/15/11/1118621511.db2.gz JHMVZMGCUACMFI-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN COCC1(NCc2ccc(Oc3ccccc3)o2)CCC1 ZINC000341215967 1118624944 /nfs/dbraw/zinc/62/49/44/1118624944.db2.gz RXPYWKVCTCHZGJ-UHFFFAOYSA-N 0 1 287.359 3.731 20 0 CHADMN CCCC[N@@H+](CC)Cc1nc(-c2ccc(C)cc2)no1 ZINC000052889770 1118628165 /nfs/dbraw/zinc/62/81/65/1118628165.db2.gz KRGHQOICISJCRQ-UHFFFAOYSA-N 0 1 273.380 3.667 20 0 CHADMN CCCCN(CC)Cc1nc(-c2ccc(C)cc2)no1 ZINC000052889770 1118628167 /nfs/dbraw/zinc/62/81/67/1118628167.db2.gz KRGHQOICISJCRQ-UHFFFAOYSA-N 0 1 273.380 3.667 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccc(Cl)cc2)s1 ZINC000090399420 1118636127 /nfs/dbraw/zinc/63/61/27/1118636127.db2.gz XXEMYXANOOFBQE-VIFPVBQESA-N 0 1 266.797 3.956 20 0 CHADMN COCc1ccccc1/C=C(\C)CN1CC2(CC(F)C2)C1 ZINC000656693585 1118639507 /nfs/dbraw/zinc/63/95/07/1118639507.db2.gz LUTVMTNMZSKGAJ-VGOFMYFVSA-N 0 1 289.394 3.670 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCCC3(CCCC3)CC2)c1 ZINC000656757960 1118650096 /nfs/dbraw/zinc/65/00/96/1118650096.db2.gz DQEVIRVMWWSYDS-UHFFFAOYSA-N 0 1 277.364 3.524 20 0 CHADMN CC[C@H](C)[N@@H+](CC)Cc1c(Cl)cccc1C(=O)[O-] ZINC000656757538 1118650355 /nfs/dbraw/zinc/65/03/55/1118650355.db2.gz UDCBVUXNXSERFM-JTQLQIEISA-N 0 1 269.772 3.659 20 0 CHADMN CC[C@@H](C)[N@@H+](CC)Cc1c(Cl)cccc1C(=O)[O-] ZINC000656757539 1118650379 /nfs/dbraw/zinc/65/03/79/1118650379.db2.gz UDCBVUXNXSERFM-SNVBAGLBSA-N 0 1 269.772 3.659 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@H](C3CCCCC3)C2)oc1C(=O)[O-] ZINC000656761835 1118651418 /nfs/dbraw/zinc/65/14/18/1118651418.db2.gz UXSFECOEASOLAA-AWEZNQCLSA-N 0 1 291.391 3.688 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2cc(C(=O)[O-])oc2C)C1 ZINC000656762536 1118651775 /nfs/dbraw/zinc/65/17/75/1118651775.db2.gz DYRRIZHCESEWCD-UHFFFAOYSA-N 0 1 279.380 3.688 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC000656762532 1118651794 /nfs/dbraw/zinc/65/17/94/1118651794.db2.gz DWZKUULEIXXLBW-CYBMUJFWSA-N 0 1 269.429 3.778 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CCCCC2)[C@H]2CCCC[C@H]12 ZINC000656768002 1118653125 /nfs/dbraw/zinc/65/31/25/1118653125.db2.gz UBCPCBZBBAVGCX-ZACQAIPSSA-N 0 1 293.451 3.922 20 0 CHADMN O=C([O-])CCCCC[N@H+](Cc1ccccc1F)CC1CC1 ZINC000656766181 1118653187 /nfs/dbraw/zinc/65/31/87/1118653187.db2.gz RTRFFXVUJVEYBW-UHFFFAOYSA-N 0 1 293.382 3.683 20 0 CHADMN COc1cc(C)nc(CNc2nccc(C)c2C2CC2)c1 ZINC000656778817 1118655752 /nfs/dbraw/zinc/65/57/52/1118655752.db2.gz CBMRGURAJAZEFE-UHFFFAOYSA-N 0 1 283.375 3.592 20 0 CHADMN CCc1ccc(C)nc1NCc1nc2c(s1)CCC2 ZINC000656778892 1118655948 /nfs/dbraw/zinc/65/59/48/1118655948.db2.gz MUTTVIGKQLDNCJ-UHFFFAOYSA-N 0 1 273.405 3.510 20 0 CHADMN Cc1cc(C)nc(CNC(C)(C)c2ccccc2)c1 ZINC000723629431 1118674680 /nfs/dbraw/zinc/67/46/80/1118674680.db2.gz SUKOBULOHTVRSB-UHFFFAOYSA-N 0 1 254.377 3.723 20 0 CHADMN CC(C)[C@@H]1CCC[C@@H](Nc2cnn(-c3ccncc3)c2)C1 ZINC000684390203 1118675151 /nfs/dbraw/zinc/67/51/51/1118675151.db2.gz AAZYJXDWZDTHLE-HUUCEWRRSA-N 0 1 284.407 3.894 20 0 CHADMN C[C@H](Nc1cc(OCC2CC2)ccn1)c1ccc(F)cn1 ZINC001167479262 1118676688 /nfs/dbraw/zinc/67/66/88/1118676688.db2.gz KCKIRDRBQULCPC-NSHDSACASA-N 0 1 287.338 3.578 20 0 CHADMN CC(C)C1CN(Cc2cnc(-c3cccs3)s2)C1 ZINC000684409050 1118685250 /nfs/dbraw/zinc/68/52/50/1118685250.db2.gz PCDMCKNJNXINOY-UHFFFAOYSA-N 0 1 278.446 3.959 20 0 CHADMN CCCCc1nc2ccc(NC(=O)CCC(F)F)cc2[nH]1 ZINC000684412886 1118686903 /nfs/dbraw/zinc/68/69/03/1118686903.db2.gz CVFQUWSRPVDYNY-UHFFFAOYSA-N 0 1 295.333 3.889 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(C)(C)C(F)F)CC3 ZINC000684413958 1118688291 /nfs/dbraw/zinc/68/82/91/1118688291.db2.gz NQHGGEMTGAKIDM-NSHDSACASA-N 0 1 292.373 3.967 20 0 CHADMN O[C@@H]1CCCC[C@@H]1[C@H]1CCCCN1C/C(Cl)=C\Cl ZINC000253091937 1118690086 /nfs/dbraw/zinc/69/00/86/1118690086.db2.gz KFRQWJLCGVUIRA-KDBXVIQISA-N 0 1 292.250 3.711 20 0 CHADMN Cc1ccc(NC(=O)CN2C[C@H](C)CC[C@H]2C)cc1Cl ZINC001167482284 1118690358 /nfs/dbraw/zinc/69/03/58/1118690358.db2.gz IHMAIIYPRFBFEL-DGCLKSJQSA-N 0 1 294.826 3.707 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H]2CCCSC2)cs1 ZINC000341403812 1118692185 /nfs/dbraw/zinc/69/21/85/1118692185.db2.gz RAKNXPIMQURNPM-WDEREUQCSA-N 0 1 270.467 3.813 20 0 CHADMN COc1cccc2c1CC[C@H]2NCc1cn(C(C)C)nc1C ZINC000341410220 1118696069 /nfs/dbraw/zinc/69/60/69/1118696069.db2.gz UVJKAZYACZSFDJ-QGZVFWFLSA-N 0 1 299.418 3.558 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@H](C)c1ccnc(OC)c1 ZINC000348687405 1118698416 /nfs/dbraw/zinc/69/84/16/1118698416.db2.gz UPZPQLMBIAHYNW-GHMZBOCLSA-N 0 1 292.404 3.572 20 0 CHADMN CCN(Cc1cccs1)Cc1cccc2[nH]c(=O)oc21 ZINC000891511710 1118699709 /nfs/dbraw/zinc/69/97/09/1118699709.db2.gz YQVRNCWTHIOART-UHFFFAOYSA-N 0 1 288.372 3.617 20 0 CHADMN Clc1ccc([C@H]2C[C@H](NCc3nccs3)C2)cc1 ZINC000684428765 1118704737 /nfs/dbraw/zinc/70/47/37/1118704737.db2.gz DTSJUMJFIXZTHQ-AULYBMBSSA-N 0 1 278.808 3.832 20 0 CHADMN c1cc(CN2CCC[C@H]2c2ccccc2)n(C2CCC2)n1 ZINC000891544107 1118707274 /nfs/dbraw/zinc/70/72/74/1118707274.db2.gz VVXPPCMVCUUOTP-SFHVURJKSA-N 0 1 281.403 3.945 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+](Cc1ccoc1)C1CC1 ZINC000723740375 1118711902 /nfs/dbraw/zinc/71/19/02/1118711902.db2.gz QILRLYNJUKTBNI-UHFFFAOYSA-N 0 1 291.372 3.512 20 0 CHADMN C[C@H]1COc2ccccc2CN1Cc1ccsc1 ZINC000341502829 1118716982 /nfs/dbraw/zinc/71/69/82/1118716982.db2.gz OSXDNKYVQCUHDJ-LBPRGKRZSA-N 0 1 259.374 3.531 20 0 CHADMN C/C=C/CN[C@@H](C)c1sccc1Br ZINC000384828377 1118723825 /nfs/dbraw/zinc/72/38/25/1118723825.db2.gz GLNHTTCAZKJDNN-RTMURIBGSA-N 0 1 260.200 3.737 20 0 CHADMN Cc1cc(F)ncc1CN(C)[C@@H](C)c1cccs1 ZINC000891640746 1118728330 /nfs/dbraw/zinc/72/83/30/1118728330.db2.gz RHUCWMGSRPNZFU-NSHDSACASA-N 0 1 264.369 3.784 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1cccc2[nH]c(=O)oc21 ZINC000891639903 1118728603 /nfs/dbraw/zinc/72/86/03/1118728603.db2.gz JTKZCBSRDBLTNO-SNVBAGLBSA-N 0 1 288.372 3.788 20 0 CHADMN Cc1cc(F)ncc1CN(C)[C@H](C)c1cccs1 ZINC000891640745 1118728743 /nfs/dbraw/zinc/72/87/43/1118728743.db2.gz RHUCWMGSRPNZFU-LLVKDONJSA-N 0 1 264.369 3.784 20 0 CHADMN CSc1ccc([C@H](C)NCc2ccc(C)cn2)cc1 ZINC000126966691 1118735761 /nfs/dbraw/zinc/73/57/61/1118735761.db2.gz MFSVUJFLQXCKTJ-ZDUSSCGKSA-N 0 1 272.417 3.963 20 0 CHADMN c1cnc([C@@H]2CCCN2CCC2=CCCCC2)nc1 ZINC000639865216 1118739740 /nfs/dbraw/zinc/73/97/40/1118739740.db2.gz FUNCGHWEXVBKRV-HNNXBMFYSA-N 0 1 257.381 3.504 20 0 CHADMN CC(C)[C@H]1CCCC[N@H+]1Cc1nc2cccnc2s1 ZINC000341562130 1118743059 /nfs/dbraw/zinc/74/30/59/1118743059.db2.gz DLVJAFFTDDBTNG-CYBMUJFWSA-N 0 1 275.421 3.702 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2nccc3c2CCCC3)on1 ZINC000891718775 1118751029 /nfs/dbraw/zinc/75/10/29/1118751029.db2.gz NRWKNLWRGAGGDK-KRWDZBQOSA-N 0 1 297.402 3.594 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(OCC(C)C)cc1 ZINC001212285732 1128798923 /nfs/dbraw/zinc/79/89/23/1128798923.db2.gz MLMFARDVGPUVDC-UHFFFAOYSA-N 0 1 259.353 3.507 20 0 CHADMN Cc1cccc(CN(C)CCSCc2ccccc2)n1 ZINC000430746095 1118766875 /nfs/dbraw/zinc/76/68/75/1118766875.db2.gz BATWDXIHRIPACB-UHFFFAOYSA-N 0 1 286.444 3.755 20 0 CHADMN CC1=C[C@@H](C)C[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000430869883 1118780120 /nfs/dbraw/zinc/78/01/20/1118780120.db2.gz YZOPDVPEHRLDEY-SNVBAGLBSA-N 0 1 285.309 3.825 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000430869883 1118780124 /nfs/dbraw/zinc/78/01/24/1118780124.db2.gz YZOPDVPEHRLDEY-SNVBAGLBSA-N 0 1 285.309 3.825 20 0 CHADMN CC(C)C[C@H](C)C[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000510642140 1118780984 /nfs/dbraw/zinc/78/09/84/1118780984.db2.gz ZECYZUDDLFCZAN-LBPRGKRZSA-N 0 1 293.436 3.912 20 0 CHADMN CC(C)C[C@H](C)CN(C)Cc1nc(-c2cccs2)no1 ZINC000510642140 1118780987 /nfs/dbraw/zinc/78/09/87/1118780987.db2.gz ZECYZUDDLFCZAN-LBPRGKRZSA-N 0 1 293.436 3.912 20 0 CHADMN CCCn1c2ccccc2nc1CN1CC(C)=C[C@H](C)C1 ZINC000430871330 1118781052 /nfs/dbraw/zinc/78/10/52/1118781052.db2.gz CSRKGNIJKQZBHY-AWEZNQCLSA-N 0 1 283.419 3.844 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC000430883791 1118782514 /nfs/dbraw/zinc/78/25/14/1118782514.db2.gz RZGGOWSCGRISHY-NWDGAFQWSA-N 0 1 276.449 3.666 20 0 CHADMN CC1=C[C@H](C)CN(Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC000430883792 1118783475 /nfs/dbraw/zinc/78/34/75/1118783475.db2.gz RZGGOWSCGRISHY-RYUDHWBXSA-N 0 1 276.449 3.666 20 0 CHADMN CCC1CCN(Cc2cnc3ccc(Cl)cn23)CC1 ZINC000510679450 1118786132 /nfs/dbraw/zinc/78/61/32/1118786132.db2.gz HOWGICOVFHJFEF-UHFFFAOYSA-N 0 1 277.799 3.610 20 0 CHADMN CN(CCOCC1CCC1)Cc1ccc(Cl)s1 ZINC000341675174 1118793373 /nfs/dbraw/zinc/79/33/73/1118793373.db2.gz JLESLEJNKRDAKR-UHFFFAOYSA-N 0 1 273.829 3.650 20 0 CHADMN CCC(=O)CCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000190173721 1128801424 /nfs/dbraw/zinc/80/14/24/1128801424.db2.gz WCBJKDCKDDDHAV-OAHLLOKOSA-N 0 1 265.784 3.846 20 0 CHADMN CC1(C)CN(C/C=C/Cl)CC[C@@H]1C(F)(F)F ZINC000190169695 1128801764 /nfs/dbraw/zinc/80/17/64/1128801764.db2.gz PQKHRLSIRGGILF-SGRBOOSSSA-N 0 1 255.711 3.649 20 0 CHADMN CCC(=O)CCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000190165249 1128802019 /nfs/dbraw/zinc/80/20/19/1128802019.db2.gz HMUYBFKHCVKAKU-LRDDRELGSA-N 0 1 275.392 3.737 20 0 CHADMN CC(C)c1ccc(/C=C\CC(=O)N(C)Cc2cnc[nH]2)cc1 ZINC000616926999 1128802382 /nfs/dbraw/zinc/80/23/82/1128802382.db2.gz YBJUHBWHKLGGGQ-PLNGDYQASA-N 0 1 297.402 3.595 20 0 CHADMN C[C@@H](NC(=O)CCCC1CCCCC1)C1=CC[N@@H+](C)CC1 ZINC000510772878 1118812856 /nfs/dbraw/zinc/81/28/56/1118812856.db2.gz ODSOJTLXUXLJMU-OAHLLOKOSA-N 0 1 292.467 3.504 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2c(F)c(F)ccc2OC)C1 ZINC001143413439 1118833918 /nfs/dbraw/zinc/83/39/18/1118833918.db2.gz QSVNFIHBLJQRKI-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN CC[C@@H]1CCCN(Cc2c(F)c(F)ccc2OC)C1 ZINC001143413439 1118833922 /nfs/dbraw/zinc/83/39/22/1118833922.db2.gz QSVNFIHBLJQRKI-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN Fc1c(Cl)cccc1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000092073673 1118840237 /nfs/dbraw/zinc/84/02/37/1118840237.db2.gz QFBDMLJTFJOKHJ-LBPRGKRZSA-N 0 1 293.773 3.582 20 0 CHADMN Clc1ncsc1CN1CCCSC[C@H]1C1CC1 ZINC000933912960 1118841389 /nfs/dbraw/zinc/84/13/89/1118841389.db2.gz QUIDNFRIDUKEDL-JTQLQIEISA-N 0 1 288.869 3.514 20 0 CHADMN Clc1cc2c(s1)CC[C@@H]2NCc1ccncc1 ZINC000129492400 1118848617 /nfs/dbraw/zinc/84/86/17/1118848617.db2.gz FPZAUJTVMWQMBH-NSHDSACASA-N 0 1 264.781 3.574 20 0 CHADMN CCCOc1cccc(CN(C)CCC(F)(F)F)c1 ZINC000092479372 1118852251 /nfs/dbraw/zinc/85/22/51/1118852251.db2.gz QFGFJWVEKDSFDV-UHFFFAOYSA-N 0 1 275.314 3.860 20 0 CHADMN C[C@H](NCc1cccc(Cl)c1)c1cncc(F)c1 ZINC000132568002 1118852436 /nfs/dbraw/zinc/85/24/36/1118852436.db2.gz IQAPEFXREFQZDR-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN CCCCCN(Cc1nc(C2CC2)nn1C)[C@H](C)CCC ZINC000563041645 1118852535 /nfs/dbraw/zinc/85/25/35/1118852535.db2.gz GYESDOKOTSAZIE-CQSZACIVSA-N 0 1 292.471 3.873 20 0 CHADMN c1nn(C2CCC2)cc1CN1CCCc2ccccc2C1 ZINC000891931038 1118854481 /nfs/dbraw/zinc/85/44/81/1118854481.db2.gz GTXMOLPZTFPLGH-UHFFFAOYSA-N 0 1 281.403 3.557 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CC[C@H](C)[C@@H](F)C1 ZINC000684579883 1118867869 /nfs/dbraw/zinc/86/78/69/1118867869.db2.gz ANKJSCMJEKAOQN-GWCFXTLKSA-N 0 1 292.329 3.567 20 0 CHADMN [O-]c1cccc2c(NCCC[C@H]3CCCCO3)cc[nH+]c12 ZINC000684581735 1118868714 /nfs/dbraw/zinc/86/87/14/1118868714.db2.gz QGVOQLPHXKMLSA-CYBMUJFWSA-N 0 1 286.375 3.702 20 0 CHADMN CC[C@@H](C)N(CC)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000616980330 1128806133 /nfs/dbraw/zinc/80/61/33/1128806133.db2.gz DYPFERWQPAZSCH-CQSZACIVSA-N 0 1 297.402 3.508 20 0 CHADMN C[C@@H]1C[C@H](CCNc2cc[nH+]c3c([O-])cccc23)CCO1 ZINC000684582170 1118870629 /nfs/dbraw/zinc/87/06/29/1118870629.db2.gz WPZXECKZWAAHPN-CHWSQXEVSA-N 0 1 286.375 3.558 20 0 CHADMN Fc1cc(F)c(CN[C@H]2CC[C@H]2C2CCC2)c(F)c1F ZINC000510965153 1118873197 /nfs/dbraw/zinc/87/31/97/1118873197.db2.gz YWZVUAOBURCDCU-ZANVPECISA-N 0 1 287.300 3.911 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)N(C)CCOc1ccccc1 ZINC000180932847 1118883614 /nfs/dbraw/zinc/88/36/14/1118883614.db2.gz FAJAMGSHUCJEBY-AWEZNQCLSA-N 0 1 296.370 3.900 20 0 CHADMN CCc1ccc(NC(=O)Cc2n[nH]c3ccccc23)cc1C ZINC000535820887 1118898763 /nfs/dbraw/zinc/89/87/63/1118898763.db2.gz XQXFZVCKFALYLU-UHFFFAOYSA-N 0 1 293.370 3.615 20 0 CHADMN C(=C/[C@@H]1CCCCCN1Cc1cc[nH]n1)\c1ccccc1 ZINC000535825377 1118901926 /nfs/dbraw/zinc/90/19/26/1118901926.db2.gz XUGKPRXZGARFJY-ZGKFYVQTSA-N 0 1 281.403 3.868 20 0 CHADMN Cc1cc(CN2CC[C@](C)(F)C2)cc(C)c1OC(F)F ZINC000535841842 1118905739 /nfs/dbraw/zinc/90/57/39/1118905739.db2.gz QEOIALBBPUDKOZ-HNNXBMFYSA-N 0 1 287.325 3.839 20 0 CHADMN CC(C)[C@H]1N(Cc2nccs2)CC12CCCCC2 ZINC000657174921 1118909011 /nfs/dbraw/zinc/90/90/11/1118909011.db2.gz MVJNZPAFOMSUKO-CQSZACIVSA-N 0 1 264.438 3.934 20 0 CHADMN CN(Cc1c(Cl)oc2ccccc21)[C@@H]1CCCOC1 ZINC000348712583 1118910955 /nfs/dbraw/zinc/91/09/55/1118910955.db2.gz UXPYINLAXVDIEV-LLVKDONJSA-N 0 1 279.767 3.697 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000684627761 1118913681 /nfs/dbraw/zinc/91/36/81/1118913681.db2.gz IZFOAGLTDPRJER-CYBMUJFWSA-N 0 1 299.418 3.594 20 0 CHADMN CN(Cc1nc2c(s1)CCCC2)C1CC(C)(C)C1 ZINC000657193471 1118918570 /nfs/dbraw/zinc/91/85/70/1118918570.db2.gz OTJWKJMSLSBWBH-UHFFFAOYSA-N 0 1 264.438 3.642 20 0 CHADMN CC(C)=CCNCc1ccc(C)cc1Br ZINC000228880300 1118920034 /nfs/dbraw/zinc/92/00/34/1118920034.db2.gz CLCPHGZUFRPLBD-UHFFFAOYSA-N 0 1 268.198 3.813 20 0 CHADMN FCC1(NCc2ccc(-c3ccccc3)o2)CCOCC1 ZINC000449445472 1118920566 /nfs/dbraw/zinc/92/05/66/1118920566.db2.gz IYBVUGGDWWDDQD-UHFFFAOYSA-N 0 1 289.350 3.555 20 0 CHADMN C1=CCC(CSc2nc(-c3ccccc3)n[nH]2)C1 ZINC000657232469 1118925943 /nfs/dbraw/zinc/92/59/43/1118925943.db2.gz FXDQXXJAZZUDRB-UHFFFAOYSA-N 0 1 257.362 3.530 20 0 CHADMN CCc1nc([C@H](C)Sc2ccccc2Cl)n[nH]1 ZINC000657227895 1118926648 /nfs/dbraw/zinc/92/66/48/1118926648.db2.gz LRNMGDKEYSUUEK-QMMMGPOBSA-N 0 1 267.785 3.874 20 0 CHADMN CCc1nc([C@H](C)Sc2ccc(C)c(C)c2)n[nH]1 ZINC000657231388 1118927095 /nfs/dbraw/zinc/92/70/95/1118927095.db2.gz BXGQGGBCOIUBGL-NSHDSACASA-N 0 1 261.394 3.837 20 0 CHADMN CCc1nnc(SCC[C@@H]2CCc3ccccc32)[nH]1 ZINC000657239026 1118927985 /nfs/dbraw/zinc/92/79/85/1118927985.db2.gz AYWINSHBHFZNNN-LBPRGKRZSA-N 0 1 273.405 3.579 20 0 CHADMN CCc1n[nH]c(SCC[C@@H]2CCc3ccccc32)n1 ZINC000657239026 1118927988 /nfs/dbraw/zinc/92/79/88/1118927988.db2.gz AYWINSHBHFZNNN-LBPRGKRZSA-N 0 1 273.405 3.579 20 0 CHADMN Cc1ccc2nc(CNC(=O)Nc3ccccc3C)[nH]c2c1 ZINC000342138902 1118928501 /nfs/dbraw/zinc/92/85/01/1118928501.db2.gz UTEOCULZCYGKPR-UHFFFAOYSA-N 0 1 294.358 3.501 20 0 CHADMN C[C@H]1CCCC[C@H]1CSc1nc(C2CC2)n[nH]1 ZINC000657241219 1118931652 /nfs/dbraw/zinc/93/16/52/1118931652.db2.gz PGWXKDVVPJMLNF-ONGXEEELSA-N 0 1 251.399 3.601 20 0 CHADMN c1ncc(CSc2n[nH]c(CCC3CCCC3)n2)s1 ZINC000657243205 1118933143 /nfs/dbraw/zinc/93/31/43/1118933143.db2.gz PMQSOUQBWFHQMH-UHFFFAOYSA-N 0 1 294.449 3.676 20 0 CHADMN c1ncc(CSc2nc(CCC3CCCC3)n[nH]2)s1 ZINC000657243205 1118933145 /nfs/dbraw/zinc/93/31/45/1118933145.db2.gz PMQSOUQBWFHQMH-UHFFFAOYSA-N 0 1 294.449 3.676 20 0 CHADMN CN(Cc1cscc1Br)C(C)(C)C ZINC000563159133 1118944418 /nfs/dbraw/zinc/94/44/18/1118944418.db2.gz XGMUXUNIGAUTOR-UHFFFAOYSA-N 0 1 262.216 3.741 20 0 CHADMN CCOc1ccccc1[C@H](CC(C)C)NCCF ZINC000342235110 1118950350 /nfs/dbraw/zinc/95/03/50/1118950350.db2.gz IMFCSMXYZILZJS-AWEZNQCLSA-N 0 1 253.361 3.732 20 0 CHADMN CCC[C@@](C)(NCc1cnc(C)o1)c1ccccc1 ZINC000934179967 1118956406 /nfs/dbraw/zinc/95/64/06/1118956406.db2.gz LWIYDSJEQJMUNA-MRXNPFEDSA-N 0 1 258.365 3.788 20 0 CHADMN C[C@@H](NCc1ccnn1CC1CC1)c1ccc(Cl)cc1 ZINC000657287000 1118957756 /nfs/dbraw/zinc/95/77/56/1118957756.db2.gz FXHIPZJXZLTOGI-GFCCVEGCSA-N 0 1 289.810 3.797 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccccn2)c(C)c1 ZINC000657286856 1118957987 /nfs/dbraw/zinc/95/79/87/1118957987.db2.gz DLCTWPGGFLYGBG-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN c1cc(CN[C@H]2CCSc3ccccc32)n(CC2CC2)n1 ZINC000657292487 1118962562 /nfs/dbraw/zinc/96/25/62/1118962562.db2.gz OYGQKVYYAUZVAX-INIZCTEOSA-N 0 1 299.443 3.620 20 0 CHADMN Cc1nc(CN[C@H](C)Cc2ccc(F)cc2Cl)cs1 ZINC000643344743 1118963783 /nfs/dbraw/zinc/96/37/83/1118963783.db2.gz FWYHFFNAPHOPJQ-SECBINFHSA-N 0 1 298.814 3.965 20 0 CHADMN Cc1c[nH]c(CN[C@H](c2ccc(Cl)cc2)C(C)C)n1 ZINC000657295127 1118963803 /nfs/dbraw/zinc/96/38/03/1118963803.db2.gz JCLIPHFQPUCRJP-HNNXBMFYSA-N 0 1 277.799 3.858 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2ccsc2C(=O)OC)C1 ZINC001167507926 1118964238 /nfs/dbraw/zinc/96/42/38/1118964238.db2.gz BYQPMQRBYIUNRR-MRXNPFEDSA-N 0 1 295.448 3.937 20 0 CHADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1nccn1C1CC1 ZINC000892115211 1118970999 /nfs/dbraw/zinc/97/09/99/1118970999.db2.gz WCJUBEMOAVOAGR-INIZCTEOSA-N 0 1 283.419 3.671 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(C)Cc1nccn1C1CC1 ZINC000892115211 1118971001 /nfs/dbraw/zinc/97/10/01/1118971001.db2.gz WCJUBEMOAVOAGR-INIZCTEOSA-N 0 1 283.419 3.671 20 0 CHADMN COc1cc([C@@H](C)NCc2cc(F)cc(Cl)c2)ccn1 ZINC000342310520 1118972412 /nfs/dbraw/zinc/97/24/12/1118972412.db2.gz UVSBDKQSMWYVKK-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN Cc1noc(C)c1CCN[C@@H](C)c1c(F)cccc1Cl ZINC000342315015 1118974256 /nfs/dbraw/zinc/97/42/56/1118974256.db2.gz BQCBXUBWHMUKTL-JTQLQIEISA-N 0 1 296.773 3.977 20 0 CHADMN Brc1cccc2c1CC[C@H]2NCc1ccco1 ZINC000105491906 1118982927 /nfs/dbraw/zinc/98/29/27/1118982927.db2.gz FXGLWFAYWCRFPP-CQSZACIVSA-N 0 1 292.176 3.819 20 0 CHADMN Cc1oc(-c2ccccc2)nc1CN1CCC(C)(F)CC1 ZINC000640069880 1118984430 /nfs/dbraw/zinc/98/44/30/1118984430.db2.gz MXLLAFKEQXIUJG-UHFFFAOYSA-N 0 1 288.366 3.974 20 0 CHADMN C[C@H](Cc1cccnc1)NCc1ncc(-c2cccs2)o1 ZINC000934235050 1118985415 /nfs/dbraw/zinc/98/54/15/1118985415.db2.gz QKWUATXQRSTRNZ-GFCCVEGCSA-N 0 1 299.399 3.519 20 0 CHADMN CC(C)N1C(=O)CN(CC[C@H]2CCC[C@H](C)C2)CC1(C)C ZINC001167525775 1118987059 /nfs/dbraw/zinc/98/70/59/1118987059.db2.gz JWMDRPZDLUAJMZ-JKSUJKDBSA-N 0 1 294.483 3.534 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cc(C(F)(F)F)nn2C)cc1 ZINC000657316467 1118995245 /nfs/dbraw/zinc/99/52/45/1118995245.db2.gz MACVMAXXOBLXTP-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1cnn2c1CCC2 ZINC000657318240 1118995616 /nfs/dbraw/zinc/99/56/16/1118995616.db2.gz OAWHLNKJMPZHOI-HNNXBMFYSA-N 0 1 299.418 3.534 20 0 CHADMN CN(Cc1csc(C(F)(F)F)c1)[C@H]1CCSC1 ZINC000628131753 1128814759 /nfs/dbraw/zinc/81/47/59/1128814759.db2.gz IJHAIBJUBZVRQE-VIFPVBQESA-N 0 1 281.368 3.704 20 0 CHADMN CC[C@H](F)CN(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511075861 1119012074 /nfs/dbraw/zinc/01/20/74/1119012074.db2.gz TXHVMLSHDFWAQW-LBPRGKRZSA-N 0 1 293.304 3.808 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@@H]1NCc1ccc2ncccc2c1 ZINC000342419860 1119013800 /nfs/dbraw/zinc/01/38/00/1119013800.db2.gz NMYWUPRIQHOLAA-ORAYPTAESA-N 0 1 290.366 3.847 20 0 CHADMN CCc1ccnc(CNc2cc[nH+]c3c([O-])cccc23)c1 ZINC000684764036 1119017796 /nfs/dbraw/zinc/01/77/96/1119017796.db2.gz JIEUYJHMXBEBAL-UHFFFAOYSA-N 0 1 279.343 3.510 20 0 CHADMN CC(C)c1nnc(CN[C@@H]2CCCC[C@@H]2C(C)(C)C)o1 ZINC000108367077 1119024852 /nfs/dbraw/zinc/02/48/52/1119024852.db2.gz YEWXFKKSNHSFCD-QWHCGFSZSA-N 0 1 279.428 3.888 20 0 CHADMN CCCN(Cc1cnc(C)o1)[C@H](C)c1ccccc1OC ZINC000628140006 1128816727 /nfs/dbraw/zinc/81/67/27/1128816727.db2.gz WZDWMQOVWNCEGY-CYBMUJFWSA-N 0 1 288.391 3.965 20 0 CHADMN COc1ccc([C@@H]2CCC[N@H+]2CCCC(C)(F)F)nc1 ZINC000934339159 1119030271 /nfs/dbraw/zinc/03/02/71/1119030271.db2.gz ATVDCMQEQSOIED-AWEZNQCLSA-N 0 1 284.350 3.663 20 0 CHADMN COCc1csc(CNC2(c3ccccc3F)CC2)c1 ZINC000657365116 1119030523 /nfs/dbraw/zinc/03/05/23/1119030523.db2.gz WPHXMCKGAKPPTN-UHFFFAOYSA-N 0 1 291.391 3.813 20 0 CHADMN CCCC[C@H](C)N(C)CC(=O)Nc1ccccc1Cl ZINC000582210240 1119033969 /nfs/dbraw/zinc/03/39/69/1119033969.db2.gz FRUKEMGGNTYGPD-LBPRGKRZSA-N 0 1 282.815 3.789 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cc2ccc(C)cc2[nH]1 ZINC000657368560 1119034870 /nfs/dbraw/zinc/03/48/70/1119034870.db2.gz SRPVVCFJZLVPPN-LLVKDONJSA-N 0 1 283.375 3.932 20 0 CHADMN CCN(Cc1cccs1)Cc1ccnc(Cl)c1 ZINC000051601927 1119052251 /nfs/dbraw/zinc/05/22/51/1119052251.db2.gz MLCMSDJDFYSTDA-UHFFFAOYSA-N 0 1 266.797 3.819 20 0 CHADMN CC[C@@H]1CCCN1Cc1cc(C)c(Br)cn1 ZINC000628152894 1128818752 /nfs/dbraw/zinc/81/87/52/1128818752.db2.gz RVOZNSRTNNMPKT-GFCCVEGCSA-N 0 1 283.213 3.527 20 0 CHADMN COc1cc(CN[C@@H](C)c2cc(C)oc2C)cc(OC)c1 ZINC000044729503 1119060160 /nfs/dbraw/zinc/06/01/60/1119060160.db2.gz STPPVHCROFTYQV-LBPRGKRZSA-N 0 1 289.375 3.764 20 0 CHADMN c1nc(CN[C@@H]2CCOC23CCCC3)oc1-c1ccccc1 ZINC000934399115 1119061740 /nfs/dbraw/zinc/06/17/40/1119061740.db2.gz ZSGOAQBMHGSINA-MRXNPFEDSA-N 0 1 298.386 3.533 20 0 CHADMN CC(C)Oc1ncccc1CNC/C=C\c1ccccc1 ZINC000220553429 1119062766 /nfs/dbraw/zinc/06/27/66/1119062766.db2.gz SZECQTOUQZKNPY-POHAHGRESA-N 0 1 282.387 3.672 20 0 CHADMN CC(C)Cn1ccnc1NCc1cccc2cnccc21 ZINC000684837449 1119062825 /nfs/dbraw/zinc/06/28/25/1119062825.db2.gz IHLJOFTYXCEFDW-UHFFFAOYSA-N 0 1 280.375 3.699 20 0 CHADMN CN1Cc2ccc(NCc3ccc(F)c(F)c3F)cc2C1 ZINC000657406062 1119064242 /nfs/dbraw/zinc/06/42/42/1119064242.db2.gz QYUKHMDKDKERSZ-UHFFFAOYSA-N 0 1 292.304 3.661 20 0 CHADMN Cc1ncc(CN2CCC(Cc3ccccc3F)CC2)o1 ZINC000628164146 1128820061 /nfs/dbraw/zinc/82/00/61/1128820061.db2.gz FDAHNHSJFMOYET-UHFFFAOYSA-N 0 1 288.366 3.577 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2cc3ccccc3s2)n1 ZINC000048856713 1119083373 /nfs/dbraw/zinc/08/33/73/1119083373.db2.gz BZDOMHKYGDQKNU-GFCCVEGCSA-N 0 1 273.361 3.607 20 0 CHADMN CCN(Cc1cccc(OC(C)C)c1)Cc1ccccn1 ZINC000119808361 1119085278 /nfs/dbraw/zinc/08/52/78/1119085278.db2.gz GOXLBMJGWHNNNJ-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN c1cc(CN[C@@H]2CCCc3sccc32)n(CC2CC2)n1 ZINC000657436690 1119089928 /nfs/dbraw/zinc/08/99/28/1119089928.db2.gz GHZQWBFZPOJBAD-OAHLLOKOSA-N 0 1 287.432 3.522 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1ccc(F)c(F)c1F ZINC000657436526 1119090825 /nfs/dbraw/zinc/09/08/25/1119090825.db2.gz OBTJYBHTNSPANN-ZCFIWIBFSA-N 0 1 271.204 3.534 20 0 CHADMN C[C@H](c1ccc(F)cc1F)[N@@H+](C)CC[C@H]1CCCO1 ZINC000342583378 1119091263 /nfs/dbraw/zinc/09/12/63/1119091263.db2.gz HOOPFNGELGUTNY-DGCLKSJQSA-N 0 1 269.335 3.527 20 0 CHADMN Cc1ccccc1[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC000431422203 1119094886 /nfs/dbraw/zinc/09/48/86/1119094886.db2.gz ZQYJREIJUUTNPR-KRWDZBQOSA-N 0 1 290.451 3.539 20 0 CHADMN Cc1nccc(NC2CCC(OC(C)C)CC2)c1Cl ZINC000684891888 1119096719 /nfs/dbraw/zinc/09/67/19/1119096719.db2.gz SZDJPSCSQQACPC-UHFFFAOYSA-N 0 1 282.815 3.613 20 0 CHADMN COc1c(C)cnc(CN[C@@H](C)c2ccc(C)cc2)c1C ZINC000049556890 1119103832 /nfs/dbraw/zinc/10/38/32/1119103832.db2.gz GSQAGOFKXYFZJA-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N(C)Cc1nc(C)c(C)[nH]1 ZINC000628184137 1128822311 /nfs/dbraw/zinc/82/23/11/1128822311.db2.gz BHXIJEORWQBFNQ-QGZVFWFLSA-N 0 1 285.435 3.788 20 0 CHADMN Fc1ccc(CNCC2(C(F)(F)F)CC2)c(F)c1F ZINC000657464012 1119112004 /nfs/dbraw/zinc/11/20/04/1119112004.db2.gz RYVHXTLZBJPLJG-UHFFFAOYSA-N 0 1 283.215 3.536 20 0 CHADMN Cc1cc(CNCc2cccc(C3CCCC3)c2)n(C)n1 ZINC000657464186 1119112065 /nfs/dbraw/zinc/11/20/65/1119112065.db2.gz PVABCBZBSHGLBA-UHFFFAOYSA-N 0 1 283.419 3.676 20 0 CHADMN CC[C@H]1CCC[C@@H](NCc2nccc(C(F)F)n2)CC1 ZINC000657466606 1119114249 /nfs/dbraw/zinc/11/42/49/1119114249.db2.gz KFMJOFSPDITQFO-NWDGAFQWSA-N 0 1 283.366 3.863 20 0 CHADMN CCc1nc(C)c(CNCc2cc3c(cccc3C)[nH]2)o1 ZINC000657472940 1119116952 /nfs/dbraw/zinc/11/69/52/1119116952.db2.gz CKRQJRCUKSKKCT-UHFFFAOYSA-N 0 1 283.375 3.625 20 0 CHADMN CC1(C)CCCN(Cc2c(C3CC3)nc3sccn23)C1 ZINC000342674089 1119120919 /nfs/dbraw/zinc/12/09/19/1119120919.db2.gz ICUIQTDRFBFLPK-UHFFFAOYSA-N 0 1 289.448 3.895 20 0 CHADMN CCC[C@H](NCc1cn(C(C)C)nc1C)c1ccccn1 ZINC000684927694 1119121162 /nfs/dbraw/zinc/12/11/62/1119121162.db2.gz YGKBNCADOLMEPH-INIZCTEOSA-N 0 1 286.423 3.798 20 0 CHADMN CCc1cccc2cc(CNCc3ccnc(C)c3)oc21 ZINC000657480722 1119123457 /nfs/dbraw/zinc/12/34/57/1119123457.db2.gz UQZCBCMXPLBWIJ-UHFFFAOYSA-N 0 1 280.371 3.988 20 0 CHADMN Cc1cc(-c2noc([C@H](C)NCC[C@@H](C)F)n2)ccc1F ZINC000375719337 1119124991 /nfs/dbraw/zinc/12/49/91/1119124991.db2.gz WFYMRBKGKQRUIZ-MNOVXSKESA-N 0 1 295.333 3.583 20 0 CHADMN Cc1c2ccccc2oc1-c1nc(C2(N)CCCCC2)no1 ZINC000582600655 1119125697 /nfs/dbraw/zinc/12/56/97/1119125697.db2.gz QMUYRVYYCZBKLU-UHFFFAOYSA-N 0 1 297.358 3.909 20 0 CHADMN Cn1ncc(C2CCC2)c1CNc1ccc2cnccc2c1 ZINC000657486995 1119126263 /nfs/dbraw/zinc/12/62/63/1119126263.db2.gz FJDHVKTYHNTHFC-UHFFFAOYSA-N 0 1 292.386 3.848 20 0 CHADMN CC(=O)c1cc(F)ccc1OCc1ccc2nc(C)[nH]c2c1 ZINC000342690283 1119127288 /nfs/dbraw/zinc/12/72/88/1119127288.db2.gz XGEXHNMBNDWYTK-UHFFFAOYSA-N 0 1 298.317 3.792 20 0 CHADMN CN(CCOCC1CC1)Cc1csc(C(F)(F)F)c1 ZINC000628187344 1128824210 /nfs/dbraw/zinc/82/42/10/1128824210.db2.gz NQBYARYDVPOZPN-UHFFFAOYSA-N 0 1 293.354 3.625 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@@H]2CCCc3cccnc32)cn1 ZINC000684956338 1119141198 /nfs/dbraw/zinc/14/11/98/1119141198.db2.gz AYDZRJBSTXCWOG-CZUORRHYSA-N 0 1 284.407 3.587 20 0 CHADMN Cc1occc1CN[C@H](C)c1ccnn1-c1ccccc1 ZINC000684954409 1119141434 /nfs/dbraw/zinc/14/14/34/1119141434.db2.gz CHYTYBGOFOTMOT-CYBMUJFWSA-N 0 1 281.359 3.625 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@@H]1CCCc2cccnc21 ZINC000684960794 1119144229 /nfs/dbraw/zinc/14/42/29/1119144229.db2.gz TZEZEQIAOAXGHD-CXAGYDPISA-N 0 1 281.403 3.767 20 0 CHADMN c1cnc2ccc(CN[C@H]3CCCc4cccnc43)cc2c1 ZINC000684963909 1119145934 /nfs/dbraw/zinc/14/59/34/1119145934.db2.gz QNJPVJDGCAPIQM-SFHVURJKSA-N 0 1 289.382 3.797 20 0 CHADMN CN(CCCC(=O)c1ccc(F)cc1)Cc1ccoc1 ZINC000050151074 1119146830 /nfs/dbraw/zinc/14/68/30/1119146830.db2.gz QDPZAFXICAEBKP-UHFFFAOYSA-N 0 1 275.323 3.514 20 0 CHADMN Cc1ccc(CNCc2cnc(C(C)(C)C)nc2)cc1F ZINC000342733592 1119147641 /nfs/dbraw/zinc/14/76/41/1119147641.db2.gz UMQZULVBKMSNLX-UHFFFAOYSA-N 0 1 287.382 3.511 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cccc2cc[nH]c21 ZINC000226766539 1119150023 /nfs/dbraw/zinc/15/00/23/1119150023.db2.gz WUOZLKVESCPWBK-JTQLQIEISA-N 0 1 269.348 3.624 20 0 CHADMN CC[C@H](Nc1ccnc2cc(F)ccc21)C1CCOCC1 ZINC000074774479 1119169894 /nfs/dbraw/zinc/16/98/94/1119169894.db2.gz XTZZMVSXOHTNPX-HNNXBMFYSA-N 0 1 288.366 3.991 20 0 CHADMN CCO[C@H](C)c1nc(CN2C[C@H](C)C[C@H]2CC)cs1 ZINC000075022719 1119170412 /nfs/dbraw/zinc/17/04/12/1119170412.db2.gz RRWYVGWIYRULQK-YRGRVCCFSA-N 0 1 282.453 3.861 20 0 CHADMN CCC[C@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000075703133 1119179950 /nfs/dbraw/zinc/17/99/50/1119179950.db2.gz NLNRTQLEIWCNPC-LBPRGKRZSA-N 0 1 282.815 3.707 20 0 CHADMN CCC[C@H](C)N(C)CC(=O)Nc1cc(Cl)ccc1C ZINC000075703133 1119179952 /nfs/dbraw/zinc/17/99/52/1119179952.db2.gz NLNRTQLEIWCNPC-LBPRGKRZSA-N 0 1 282.815 3.707 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccccn2)cc1Cl ZINC000342805079 1119184073 /nfs/dbraw/zinc/18/40/73/1119184073.db2.gz CWFQWUUEEALZRJ-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN Cc1cnc(CN2CCC[C@@H]2c2cccc(C)c2C)n1C ZINC000342810490 1119186062 /nfs/dbraw/zinc/18/60/62/1119186062.db2.gz WJXGYSMOTXYXIY-QGZVFWFLSA-N 0 1 283.419 3.682 20 0 CHADMN CC[C@H](COCC1CC1)NCc1ccsc1Cl ZINC000657562545 1119186072 /nfs/dbraw/zinc/18/60/72/1119186072.db2.gz PEKSMIKPRSEABE-GFCCVEGCSA-N 0 1 273.829 3.696 20 0 CHADMN CC[C@@H](COCC1CC1)NCc1ccsc1Cl ZINC000657562546 1119186317 /nfs/dbraw/zinc/18/63/17/1119186317.db2.gz PEKSMIKPRSEABE-LBPRGKRZSA-N 0 1 273.829 3.696 20 0 CHADMN Cc1ccc(CNCc2cccnc2N2CCCC2)c(C)c1 ZINC000657571527 1119190190 /nfs/dbraw/zinc/19/01/90/1119190190.db2.gz TTXGXQPAOJRPKX-UHFFFAOYSA-N 0 1 295.430 3.588 20 0 CHADMN Cc1ccc(F)c(CN[C@@H](CCCO)c2ccccc2)c1 ZINC000077466496 1119193067 /nfs/dbraw/zinc/19/30/67/1119193067.db2.gz XQKGXXBOWJDEAI-SFHVURJKSA-N 0 1 287.378 3.738 20 0 CHADMN CCn1cc(CN[C@@H](c2ccccc2F)C(C)C)cn1 ZINC000657616559 1119209662 /nfs/dbraw/zinc/20/96/62/1119209662.db2.gz YQICNOZBZLACFB-MRXNPFEDSA-N 0 1 275.371 3.529 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccccc2C1)c1nc(C(C)(C)C)no1 ZINC000237528486 1119211735 /nfs/dbraw/zinc/21/17/35/1119211735.db2.gz WYTBIJQHYIHXBV-SWLSCSKDSA-N 0 1 299.418 3.575 20 0 CHADMN CCc1noc(C)c1CN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000119493000 1119214224 /nfs/dbraw/zinc/21/42/24/1119214224.db2.gz XGJCADKHBKSRDH-YVEFUNNKSA-N 0 1 270.376 3.738 20 0 CHADMN Cc1cc(CN2CCCO[C@H](C)C2)cc(C(F)(F)F)c1 ZINC001143447728 1119215710 /nfs/dbraw/zinc/21/57/10/1119215710.db2.gz GMDBTNZOKFAEGH-GFCCVEGCSA-N 0 1 287.325 3.625 20 0 CHADMN Cc1c[nH]c(CN(C)CCc2cccc3ccccc32)n1 ZINC000628158175 1119216025 /nfs/dbraw/zinc/21/60/25/1119216025.db2.gz HJRCSWDORRSJMY-UHFFFAOYSA-N 0 1 279.387 3.546 20 0 CHADMN CC(C)[C@@H]1CC[N@H+]1Cc1c(C2CC2)nc2sccn12 ZINC000342863492 1119217095 /nfs/dbraw/zinc/21/70/95/1119217095.db2.gz XOZUGLNTUREQFG-LBPRGKRZSA-N 0 1 275.421 3.504 20 0 CHADMN CC(C)[C@@H]1CCN1Cc1c(C2CC2)nc2sccn12 ZINC000342863492 1119217097 /nfs/dbraw/zinc/21/70/97/1119217097.db2.gz XOZUGLNTUREQFG-LBPRGKRZSA-N 0 1 275.421 3.504 20 0 CHADMN CCCn1nccc1CNCc1cc2cc(C)ccc2o1 ZINC000657652303 1119223355 /nfs/dbraw/zinc/22/33/55/1119223355.db2.gz HETLHGHWZSDRJD-UHFFFAOYSA-N 0 1 283.375 3.638 20 0 CHADMN C[C@@H](c1ccco1)N(Cc1ccc2c[nH]nc2c1)C1CC1 ZINC000119897036 1119224600 /nfs/dbraw/zinc/22/46/00/1119224600.db2.gz HUKYLAAOQSAFGN-LBPRGKRZSA-N 0 1 281.359 3.882 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)c1Cl ZINC000657656574 1119226891 /nfs/dbraw/zinc/22/68/91/1119226891.db2.gz KLHLLBSDGXHCGZ-MDZLAQPJSA-N 0 1 265.784 3.571 20 0 CHADMN COCc1csc(CNCc2ccsc2Cl)c1 ZINC000657659020 1119228488 /nfs/dbraw/zinc/22/84/88/1119228488.db2.gz AAXMPDIHHNDUCY-UHFFFAOYSA-N 0 1 287.837 3.899 20 0 CHADMN COc1ccccc1/C=C/CN[C@H](C)c1nc(C)cs1 ZINC000069168217 1128831259 /nfs/dbraw/zinc/83/12/59/1128831259.db2.gz SOADEVRKIVQUJT-STMXVASLSA-N 0 1 288.416 3.824 20 0 CHADMN CC(=O)CCN(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000120972430 1119254711 /nfs/dbraw/zinc/25/47/11/1119254711.db2.gz GAHCZLDICFYGNY-GFCCVEGCSA-N 0 1 268.426 3.547 20 0 CHADMN CCOc1cccc([C@H](C)N[C@@H](C)c2cnc(C)nc2C)c1 ZINC000120577393 1119243589 /nfs/dbraw/zinc/24/35/89/1119243589.db2.gz URHJLNQCNCKLJU-STQMWFEESA-N 0 1 299.418 3.904 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1csc(C)n1)C1CC1 ZINC000120697041 1119246289 /nfs/dbraw/zinc/24/62/89/1119246289.db2.gz DUFSESAPAWNDBY-QWRGUYRKSA-N 0 1 252.427 3.851 20 0 CHADMN Oc1ccc2c(c1)[C@@H](NCc1ccc(Cl)s1)CC2 ZINC000657691349 1119248805 /nfs/dbraw/zinc/24/88/05/1119248805.db2.gz DKRAGESGCIRCIX-ZDUSSCGKSA-N 0 1 279.792 3.884 20 0 CHADMN c1csc(-c2ncc(CN3CC(C4CC4)C3)s2)c1 ZINC000643345356 1119249329 /nfs/dbraw/zinc/24/93/29/1119249329.db2.gz RZUBZVXSMFWBBT-UHFFFAOYSA-N 0 1 276.430 3.713 20 0 CHADMN Cc1ncc(CN2CCC[C@H]2/C=C\c2ccccc2)o1 ZINC000628236256 1128832429 /nfs/dbraw/zinc/83/24/29/1128832429.db2.gz VJDOKHFNLXWSOV-YDZSZYSISA-N 0 1 268.360 3.661 20 0 CHADMN COCc1cnc(CN2CCCC[C@@H]2CC(C)C)s1 ZINC000342939659 1119256681 /nfs/dbraw/zinc/25/66/81/1119256681.db2.gz DIHHGCUCFFKIDY-CYBMUJFWSA-N 0 1 282.453 3.690 20 0 CHADMN c1coc(CNCc2cccc(-c3ccncc3)c2)c1 ZINC000342949042 1119260747 /nfs/dbraw/zinc/26/07/47/1119260747.db2.gz ZXAZKSRHCCYSKF-UHFFFAOYSA-N 0 1 264.328 3.631 20 0 CHADMN Cc1nc(CN[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)cs1 ZINC000657707112 1119263485 /nfs/dbraw/zinc/26/34/85/1119263485.db2.gz GOYNOLKLYYVTSR-KGLIPLIRSA-N 0 1 294.464 3.667 20 0 CHADMN Clc1cccc(Cl)c1CN1CC[C@]2(CCOC2)C1 ZINC000153649325 1119270219 /nfs/dbraw/zinc/27/02/19/1119270219.db2.gz YNJSLKVIJKUANV-AWEZNQCLSA-N 0 1 286.202 3.606 20 0 CHADMN Clc1cnc(CN[C@@H]2CC[C@@H]2c2ccccc2)s1 ZINC000657716390 1119273310 /nfs/dbraw/zinc/27/33/10/1119273310.db2.gz SGKGKLQHIDBNSV-VXGBXAGGSA-N 0 1 278.808 3.832 20 0 CHADMN Cc1ccc2nc(CNC(=O)[C@]3(C)CC=C(C)CC3)[nH]c2c1 ZINC000611740363 1119274266 /nfs/dbraw/zinc/27/42/66/1119274266.db2.gz JCVPHZWQMJFMMB-GOSISDBHSA-N 0 1 297.402 3.624 20 0 CHADMN CCC[C@@H](N[C@H](C)c1cn[nH]c1)c1ccc(F)cc1F ZINC000283897468 1119277668 /nfs/dbraw/zinc/27/76/68/1119277668.db2.gz CTWHLGZKPJUAMV-MEBBXXQBSA-N 0 1 279.334 3.880 20 0 CHADMN COc1cccc([C@H](C)N[C@H]2CCCc3cccnc32)c1 ZINC000091661123 1119278008 /nfs/dbraw/zinc/27/80/08/1119278008.db2.gz IYRLQVDPWMKGOV-GUYCJALGSA-N 0 1 282.387 3.818 20 0 CHADMN C[C@@H](c1ccccn1)N(C)CCOC1CCCCCC1 ZINC000091703579 1119283489 /nfs/dbraw/zinc/28/34/89/1119283489.db2.gz APQVJYZFYIEJKW-HNNXBMFYSA-N 0 1 276.424 3.814 20 0 CHADMN Cc1nc(C)c(CNCc2ccc(C(F)(F)F)cc2C)o1 ZINC000628246244 1128835087 /nfs/dbraw/zinc/83/50/87/1128835087.db2.gz DYYSWXPCGYWDJN-UHFFFAOYSA-N 0 1 298.308 3.908 20 0 CHADMN FC1(F)CCC[C@H]1N[C@H](Cc1ccccc1)C1CC1 ZINC000672621904 1119289628 /nfs/dbraw/zinc/28/96/28/1119289628.db2.gz NOIMQFSKQARASE-HUUCEWRRSA-N 0 1 265.347 3.785 20 0 CHADMN CC1CCC([N@@H+](Cc2nnc(C(C)(C)C)o2)C2CC2)CC1 ZINC000052103981 1119291060 /nfs/dbraw/zinc/29/10/60/1119291060.db2.gz UCTIUDMDOGWCNN-UHFFFAOYSA-N 0 1 291.439 3.910 20 0 CHADMN CC1CCC(N(Cc2nnc(C(C)(C)C)o2)C2CC2)CC1 ZINC000052103981 1119291063 /nfs/dbraw/zinc/29/10/63/1119291063.db2.gz UCTIUDMDOGWCNN-UHFFFAOYSA-N 0 1 291.439 3.910 20 0 CHADMN FC1(F)CCC[C@@H]1N[C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000672621964 1119291142 /nfs/dbraw/zinc/29/11/42/1119291142.db2.gz PLKSTRCQMXGBMJ-SNPRPXQTSA-N 0 1 280.362 3.885 20 0 CHADMN Cc1cnc([C@@H](C)CN[C@@H](C)c2csc(C)n2)s1 ZINC000349830961 1119292892 /nfs/dbraw/zinc/29/28/92/1119292892.db2.gz GMPAQFNGPMQLPH-WPRPVWTQSA-N 0 1 281.450 3.671 20 0 CHADMN C[C@@H](CC(F)(F)F)NCc1nc2ccccc2s1 ZINC000225965988 1119300337 /nfs/dbraw/zinc/30/03/37/1119300337.db2.gz RZGKHBJBWNSYKS-QMMMGPOBSA-N 0 1 274.311 3.727 20 0 CHADMN c1nc(C2CC2)oc1CNC[C@H]1CCC2(CCCCC2)O1 ZINC000628251898 1128836280 /nfs/dbraw/zinc/83/62/80/1128836280.db2.gz ZQIODGBEMBEUNI-CQSZACIVSA-N 0 1 290.407 3.524 20 0 CHADMN CCCCC[C@@H](C(=O)N[C@H](C)Cc1cc(C)[nH]n1)C(C)C ZINC000161579320 1119311579 /nfs/dbraw/zinc/31/15/79/1119311579.db2.gz PVGDJDBIZNFVMH-CZUORRHYSA-N 0 1 293.455 3.618 20 0 CHADMN CCN(Cc1ccc(C)cn1)[C@@H](C)c1cccc(O)c1 ZINC000154600066 1119315428 /nfs/dbraw/zinc/31/54/28/1119315428.db2.gz JMERHIMIHUZVKL-AWEZNQCLSA-N 0 1 270.376 3.679 20 0 CHADMN Cc1cccc(C2=CCN(Cc3ccc(C)nc3)CC2)c1 ZINC000154763369 1119319706 /nfs/dbraw/zinc/31/97/06/1119319706.db2.gz ZFLPJDBTBJBVSK-UHFFFAOYSA-N 0 1 278.399 3.988 20 0 CHADMN COc1ccccc1CN[C@@H](c1ccccc1)[C@H](O)C(C)C ZINC000657742974 1119320149 /nfs/dbraw/zinc/32/01/49/1119320149.db2.gz XRMSRLLECBLHTD-RBUKOAKNSA-N 0 1 299.414 3.543 20 0 CHADMN CCC(C)(C)CCN1CCO[C@@H](c2cccc(OC)c2)C1 ZINC001167662656 1119327997 /nfs/dbraw/zinc/32/79/97/1119327997.db2.gz AJSDYMVHDXRNCY-QGZVFWFLSA-N 0 1 291.435 3.895 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@@H](C)c2c(C)noc2C)s1 ZINC000092327686 1119328532 /nfs/dbraw/zinc/32/85/32/1119328532.db2.gz QIKRVJMQTLNLJN-IONNQARKSA-N 0 1 279.409 3.777 20 0 CHADMN C[N@H+](C/C=C\c1ccc(F)c(F)c1)CCC(F)(F)F ZINC000583289748 1119334763 /nfs/dbraw/zinc/33/47/63/1119334763.db2.gz QGINMRINFYPAGR-IHWYPQMZSA-N 0 1 279.252 3.862 20 0 CHADMN CN(C/C=C\c1ccc(F)c(F)c1)CCC(F)(F)F ZINC000583289748 1119334765 /nfs/dbraw/zinc/33/47/65/1119334765.db2.gz QGINMRINFYPAGR-IHWYPQMZSA-N 0 1 279.252 3.862 20 0 CHADMN c1ccc([C@@H]2CN([C@@H]3C=CCCCCC3)CCO2)cc1 ZINC000583329027 1119341234 /nfs/dbraw/zinc/34/12/34/1119341234.db2.gz UUCQSCQRBRVNPQ-MSOLQXFVSA-N 0 1 271.404 3.949 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2csc(-c3ccoc3)n2)C1 ZINC000525410355 1119343966 /nfs/dbraw/zinc/34/39/66/1119343966.db2.gz FOPDAKBJQOTDQT-QWRGUYRKSA-N 0 1 262.378 3.633 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@H](C)c1c(C)noc1C)CC2 ZINC000092837947 1119350680 /nfs/dbraw/zinc/35/06/80/1119350680.db2.gz KWJLZPPZVHUFOZ-HWPZZCPQSA-N 0 1 286.375 3.638 20 0 CHADMN C[C@H]1CCCC[C@H]1NCC(F)(F)c1ccccc1 ZINC000227898563 1119350812 /nfs/dbraw/zinc/35/08/12/1119350812.db2.gz ZJEAPVKPVZNEDG-GXTWGEPZSA-N 0 1 253.336 3.947 20 0 CHADMN CC[N@@H+](Cc1ccoc1)Cc1ccc(OCC(F)F)cc1 ZINC000092935808 1119351850 /nfs/dbraw/zinc/35/18/50/1119351850.db2.gz CLNUTELOFWECMS-UHFFFAOYSA-N 0 1 295.329 3.946 20 0 CHADMN CCN(Cc1ccoc1)Cc1ccc(OCC(F)F)cc1 ZINC000092935808 1119351852 /nfs/dbraw/zinc/35/18/52/1119351852.db2.gz CLNUTELOFWECMS-UHFFFAOYSA-N 0 1 295.329 3.946 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc3nccnc3c2)o1 ZINC000634954072 1119351858 /nfs/dbraw/zinc/35/18/58/1119351858.db2.gz SBXVHZXCMMZOGN-DOMZBBRYSA-N 0 1 293.370 3.636 20 0 CHADMN CCN(Cc1ccoc1)Cc1c[nH]nc1-c1ccccc1F ZINC000092935884 1119352582 /nfs/dbraw/zinc/35/25/82/1119352582.db2.gz CZJXBCPCNCSCRS-UHFFFAOYSA-N 0 1 299.349 3.831 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161693024 1119353498 /nfs/dbraw/zinc/35/34/98/1119353498.db2.gz PWBDEQPXADDBCS-HIFRSBDPSA-N 0 1 293.455 3.762 20 0 CHADMN C[C@@H](c1nc([C@@H]2CCC(F)(F)C2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000343242074 1119362852 /nfs/dbraw/zinc/36/28/52/1119362852.db2.gz JTCBNMAVBRFGEY-WHOHXGKFSA-N 0 1 299.365 3.906 20 0 CHADMN C[C@@H](c1nc([C@@H]2CCC(F)(F)C2)no1)N1[C@H](C)CC[C@@H]1C ZINC000343242074 1119362854 /nfs/dbraw/zinc/36/28/54/1119362854.db2.gz JTCBNMAVBRFGEY-WHOHXGKFSA-N 0 1 299.365 3.906 20 0 CHADMN Cc1ncc(CN[C@@H]2CCC(C)(C)c3ccccc32)o1 ZINC000335282560 1119364214 /nfs/dbraw/zinc/36/42/14/1119364214.db2.gz ZWLSTYXMVHKUKQ-MRXNPFEDSA-N 0 1 270.376 3.885 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@H]1CCc2ccc(C)cc21 ZINC000126749370 1119364781 /nfs/dbraw/zinc/36/47/81/1119364781.db2.gz SCXCGXYZSFTHNX-ZBEGNZNMSA-N 0 1 270.376 3.938 20 0 CHADMN CCC(CC)CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000126787313 1119368608 /nfs/dbraw/zinc/36/86/08/1119368608.db2.gz WBAWEUCZWLZJDN-HNNXBMFYSA-N 0 1 257.381 3.525 20 0 CHADMN CC1(C)C[C@H]([N@@H+](Cc2ccccc2)Cc2ccccn2)CO1 ZINC000661194431 1119369853 /nfs/dbraw/zinc/36/98/53/1119369853.db2.gz PCRWTVSYQWULMA-SFHVURJKSA-N 0 1 296.414 3.651 20 0 CHADMN CC1(C)C[C@H](N(Cc2ccccc2)Cc2ccccn2)CO1 ZINC000661194431 1119369856 /nfs/dbraw/zinc/36/98/56/1119369856.db2.gz PCRWTVSYQWULMA-SFHVURJKSA-N 0 1 296.414 3.651 20 0 CHADMN CC[C@H](CSC)N(C)Cc1ncc(C(C)C)s1 ZINC000583532650 1119373635 /nfs/dbraw/zinc/37/36/35/1119373635.db2.gz KYCIAAYEMDMCOH-LLVKDONJSA-N 0 1 272.483 3.840 20 0 CHADMN Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](C(C)(C)C)C3)o2)cc1 ZINC000583587837 1119381154 /nfs/dbraw/zinc/38/11/54/1119381154.db2.gz FDCWHBOOUBAREY-OAHLLOKOSA-N 0 1 299.418 3.913 20 0 CHADMN Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](C(C)(C)C)C3)o2)cc1 ZINC000583587836 1119381284 /nfs/dbraw/zinc/38/12/84/1119381284.db2.gz FDCWHBOOUBAREY-HNNXBMFYSA-N 0 1 299.418 3.913 20 0 CHADMN CC(C)CC1(NCc2csc(C(C)C)n2)CC1 ZINC000657774841 1119385498 /nfs/dbraw/zinc/38/54/98/1119385498.db2.gz MAIDOWSIPGHHQR-UHFFFAOYSA-N 0 1 252.427 3.935 20 0 CHADMN CCCOc1ccc(CN[C@H](C)c2ccoc2)cc1OC ZINC000151075122 1119386603 /nfs/dbraw/zinc/38/66/03/1119386603.db2.gz ZJSCDVUYEHUFEB-CYBMUJFWSA-N 0 1 289.375 3.928 20 0 CHADMN CSc1ccc(C)c(NC(=O)c2cccc3cn[nH]c32)c1 ZINC000343349894 1119392918 /nfs/dbraw/zinc/39/29/18/1119392918.db2.gz SLBKZNCWCJXRDL-UHFFFAOYSA-N 0 1 297.383 3.846 20 0 CHADMN COc1cccc(C2(NCc3cnn(C(C)C)c3)CCC2)c1 ZINC000657782545 1119394576 /nfs/dbraw/zinc/39/45/76/1119394576.db2.gz OOODRQRPBAUIPD-UHFFFAOYSA-N 0 1 299.418 3.642 20 0 CHADMN CSc1ccc(C)c(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000343354948 1119395984 /nfs/dbraw/zinc/39/59/84/1119395984.db2.gz YOZNHLCSLWVYAI-BETUJISGSA-N 0 1 292.448 3.528 20 0 CHADMN CSc1ccc(C)c(NC(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000343354948 1119395986 /nfs/dbraw/zinc/39/59/86/1119395986.db2.gz YOZNHLCSLWVYAI-BETUJISGSA-N 0 1 292.448 3.528 20 0 CHADMN CC(C)Oc1cccc(Nc2cc(=O)[nH]c(Cl)n2)c1F ZINC001212319933 1128843466 /nfs/dbraw/zinc/84/34/66/1128843466.db2.gz VXPOCUXBMZLYRI-UHFFFAOYSA-N 0 1 297.717 3.506 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000583764551 1119408424 /nfs/dbraw/zinc/40/84/24/1119408424.db2.gz LYRMTNOZYRYDHW-AWEZNQCLSA-N 0 1 297.398 3.976 20 0 CHADMN Cc1noc(C)c1CN[C@H]1CCCc2c(C)cccc21 ZINC000657796328 1119414802 /nfs/dbraw/zinc/41/48/02/1119414802.db2.gz FNKSITPBJCKKJX-KRWDZBQOSA-N 0 1 270.376 3.767 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1nc(C2CC2)cs1 ZINC000343430240 1119419397 /nfs/dbraw/zinc/41/93/97/1119419397.db2.gz TXSLQGIQLNAJLT-SNVBAGLBSA-N 0 1 270.467 3.594 20 0 CHADMN Cc1ccc([C@@H](C)CNCc2nnc(C3CC3)s2)cc1 ZINC000628312608 1128845361 /nfs/dbraw/zinc/84/53/61/1128845361.db2.gz IMEOQZZBAMUOCM-LBPRGKRZSA-N 0 1 287.432 3.617 20 0 CHADMN COc1ccc(C)cc1CNCc1cccc(OC)c1C ZINC000657803865 1119428835 /nfs/dbraw/zinc/42/88/35/1119428835.db2.gz AMBLJDDONDPDCR-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN Cc1cc(N2CC[C@H](C3CC3)C2)c2cc(F)ccc2n1 ZINC000343484440 1119431012 /nfs/dbraw/zinc/43/10/12/1119431012.db2.gz PZUWKOJXJMJLQZ-ZDUSSCGKSA-N 0 1 270.351 3.919 20 0 CHADMN NC1(c2noc([C@@H]3CC[C@@H]4CCCC[C@H]4C3)n2)CCCC1 ZINC000168295698 1119431104 /nfs/dbraw/zinc/43/11/04/1119431104.db2.gz ZHYPAUJWAHTCGG-MELADBBJSA-N 0 1 289.423 3.872 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)C(C)(C)C)c2C1 ZINC000158292248 1119442128 /nfs/dbraw/zinc/44/21/28/1119442128.db2.gz FAVPWKQUVIXEFL-UHFFFAOYSA-N 0 1 274.408 3.643 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N(Cc2cncc(Br)c2)C1 ZINC000343529846 1119443272 /nfs/dbraw/zinc/44/32/72/1119443272.db2.gz BHMKOFONFBTVIX-VXGBXAGGSA-N 0 1 297.240 3.855 20 0 CHADMN CCC[N@H+](Cc1cn(C(C)C)nc1C)C[C@H]1CCCCO1 ZINC000343531580 1119444213 /nfs/dbraw/zinc/44/42/13/1119444213.db2.gz KQKKODNQZXIZHU-QGZVFWFLSA-N 0 1 293.455 3.554 20 0 CHADMN Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000343531897 1119444515 /nfs/dbraw/zinc/44/45/15/1119444515.db2.gz GNHXCCUDKNLNLB-HOCLYGCPSA-N 0 1 261.413 3.537 20 0 CHADMN C[C@@H]1CCC[C@H]1CN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000343526758 1119444548 /nfs/dbraw/zinc/44/45/48/1119444548.db2.gz ZAQGPKVJUMTDOA-VNQPRFMTSA-N 0 1 269.392 3.525 20 0 CHADMN C[C@H](O)[C@H](N[C@@H](C)c1ccccc1F)c1ccccc1 ZINC000657818982 1119459267 /nfs/dbraw/zinc/45/92/67/1119459267.db2.gz PHZZMSYTJFXEPF-DCGLDWPTSA-N 0 1 273.351 3.598 20 0 CHADMN CCC(CC)N(CC)C(=O)c1ccc(CN(CC)CC)o1 ZINC000685259151 1119465431 /nfs/dbraw/zinc/46/54/31/1119465431.db2.gz UATNYEZXXSQRIC-UHFFFAOYSA-N 0 1 294.439 3.772 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(C(F)F)nc1)c1cccnc1 ZINC000657824505 1119468804 /nfs/dbraw/zinc/46/88/04/1119468804.db2.gz JNCWBRLXXVOKRN-MNOVXSKESA-N 0 1 277.318 3.826 20 0 CHADMN CC[C@@H](NCc1ccc2c(c1)OCO2)c1ccccc1F ZINC000168744265 1119474733 /nfs/dbraw/zinc/47/47/33/1119474733.db2.gz UVWZFWYEPKQWEI-OAHLLOKOSA-N 0 1 287.334 3.795 20 0 CHADMN CC[C@@H](c1ccccc1)N(CC)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343647610 1119478771 /nfs/dbraw/zinc/47/87/71/1119478771.db2.gz JRWRGIRZKKTEHI-INIZCTEOSA-N 0 1 297.402 3.901 20 0 CHADMN CCCCN(C(=O)c1c(O)cccc1F)[C@H](C)CC ZINC000228906178 1119486222 /nfs/dbraw/zinc/48/62/22/1119486222.db2.gz XFWRYSXICRFUHD-LLVKDONJSA-N 0 1 267.344 3.572 20 0 CHADMN CSCCCN(C)Cc1coc(-c2ccc(C)cc2)n1 ZINC000343690856 1119487848 /nfs/dbraw/zinc/48/78/48/1119487848.db2.gz DWPICTOQFLQVQG-UHFFFAOYSA-N 0 1 290.432 3.835 20 0 CHADMN CCn1c(CN(C)CCc2cccs2)nc2ccccc21 ZINC000080967271 1119507789 /nfs/dbraw/zinc/50/77/89/1119507789.db2.gz BAPALOFPWFULKT-UHFFFAOYSA-N 0 1 299.443 3.792 20 0 CHADMN C[C@H](N[C@H]1CCCn2nccc21)c1ccc(F)c(Cl)c1 ZINC000657848175 1119509062 /nfs/dbraw/zinc/50/90/62/1119509062.db2.gz KBCCRGRTMHNKCD-HZMBPMFUSA-N 0 1 293.773 3.861 20 0 CHADMN Cc1cc(CN[C@H](C)Cc2ccc3c(c2)CCCC3)no1 ZINC000657850620 1119510666 /nfs/dbraw/zinc/51/06/66/1119510666.db2.gz IXPCAAQVZILMEU-CYBMUJFWSA-N 0 1 284.403 3.583 20 0 CHADMN Cc1cccc(C2(N[C@@H](C)c3cnccn3)CCC2)c1 ZINC000647332618 1119524163 /nfs/dbraw/zinc/52/41/63/1119524163.db2.gz BCUMDNDHFMBUMT-AWEZNQCLSA-N 0 1 267.376 3.515 20 0 CHADMN CCn1cc([C@H](C)NC2(c3ccccc3F)CCC2)cn1 ZINC000647333638 1119530089 /nfs/dbraw/zinc/53/00/89/1119530089.db2.gz WBAKORINAHCJMN-ZDUSSCGKSA-N 0 1 287.382 3.772 20 0 CHADMN Cc1occc1CN[C@@H](C)c1cncc(Br)c1 ZINC000657858102 1119534523 /nfs/dbraw/zinc/53/45/23/1119534523.db2.gz XJWARTIGOZBBFW-VIFPVBQESA-N 0 1 295.180 3.596 20 0 CHADMN Cc1csc(CN2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000088595921 1119536979 /nfs/dbraw/zinc/53/69/79/1119536979.db2.gz QYIYNACZCCEFHJ-CYBMUJFWSA-N 0 1 276.380 3.580 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](NCc1nccn1C)CCC2 ZINC000090407863 1119544569 /nfs/dbraw/zinc/54/45/69/1119544569.db2.gz NLYBQKIRCDTODY-QGZVFWFLSA-N 0 1 283.419 3.711 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3ccccc31)CO2 ZINC000090452213 1119544758 /nfs/dbraw/zinc/54/47/58/1119544758.db2.gz JXLGEADZLLBDIS-IAGOWNOFSA-N 0 1 265.356 3.706 20 0 CHADMN CC(C)Cc1ncc(CN[C@H](C)c2cncc(F)c2)s1 ZINC000090668202 1119547879 /nfs/dbraw/zinc/54/78/79/1119547879.db2.gz XPAOXWTVGZTALE-LLVKDONJSA-N 0 1 293.411 3.727 20 0 CHADMN CCc1ncc(CNCc2ccc(C3CC3)cc2)s1 ZINC000359812916 1119548088 /nfs/dbraw/zinc/54/80/88/1119548088.db2.gz XOADBKCJIWKDSH-UHFFFAOYSA-N 0 1 272.417 3.873 20 0 CHADMN CCc1ccc([C@@H](CO)N[C@H](C)c2ccsc2)cc1 ZINC000090844634 1119550553 /nfs/dbraw/zinc/55/05/53/1119550553.db2.gz UHYYDGSYOZRMKT-MLGOLLRUSA-N 0 1 275.417 3.695 20 0 CHADMN CCc1cnc(CSc2nc3ccc(C)cc3[nH]2)o1 ZINC000525703611 1119551085 /nfs/dbraw/zinc/55/10/85/1119551085.db2.gz DZGSYRBZVWFNCK-UHFFFAOYSA-N 0 1 273.361 3.714 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](c1cccnc1)C(C)C ZINC000091370253 1119556416 /nfs/dbraw/zinc/55/64/16/1119556416.db2.gz OCHYFGSHJGRPHN-GOSISDBHSA-N 0 1 284.403 3.886 20 0 CHADMN Cc1nnsc1CN(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000584448419 1119556949 /nfs/dbraw/zinc/55/69/49/1119556949.db2.gz XYSRNHVBGUZFHZ-SNVBAGLBSA-N 0 1 295.839 3.563 20 0 CHADMN Cc1ccc(CN2CCC(C(=O)c3ccc(C)cc3)CC2)o1 ZINC000092187399 1119559134 /nfs/dbraw/zinc/55/91/34/1119559134.db2.gz SXNFFWDPUJJOPT-UHFFFAOYSA-N 0 1 297.398 3.991 20 0 CHADMN Cc1ccoc1CN(CCCO)Cc1cccc(Cl)c1 ZINC000092063608 1119560886 /nfs/dbraw/zinc/56/08/86/1119560886.db2.gz CKEJQCPXGDGLHC-UHFFFAOYSA-N 0 1 293.794 3.626 20 0 CHADMN CCOc1c(Cl)cc(CN2CC[C@@H](C)C2)cc1OC ZINC000092471260 1119563344 /nfs/dbraw/zinc/56/33/44/1119563344.db2.gz LGSYUDJODQNEIX-LLVKDONJSA-N 0 1 283.799 3.589 20 0 CHADMN CCC(C)(CC)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000685313886 1119568735 /nfs/dbraw/zinc/56/87/35/1119568735.db2.gz AMCZMVJYMVBIRY-UHFFFAOYSA-N 0 1 270.336 3.691 20 0 CHADMN Cc1cccnc1CN1CCC[C@H]1c1ccc(F)cc1 ZINC000093157995 1119570130 /nfs/dbraw/zinc/57/01/30/1119570130.db2.gz JKDIJSGFRCNDDJ-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Clc1ccc(CN2CCC(C3CCOCC3)CC2)o1 ZINC000093704910 1119571909 /nfs/dbraw/zinc/57/19/09/1119571909.db2.gz SRJFGNGIFJKMIV-UHFFFAOYSA-N 0 1 283.799 3.572 20 0 CHADMN COCc1ccc(CN2CC[C@@H](C)C[C@H]2c2ccco2)o1 ZINC000093811847 1119572554 /nfs/dbraw/zinc/57/25/54/1119572554.db2.gz LPPCLIWOMURQFU-CJNGLKHVSA-N 0 1 289.375 3.992 20 0 CHADMN c1oc2ccccc2c1CN1CCOCC12CCCC2 ZINC000093840558 1119572717 /nfs/dbraw/zinc/57/27/17/1119572717.db2.gz SBNPBDBZVGLWEM-UHFFFAOYSA-N 0 1 271.360 3.578 20 0 CHADMN CCN(CC)Cc1ccc(C)cc1Br ZINC000202474381 1119587209 /nfs/dbraw/zinc/58/72/09/1119587209.db2.gz DGONPMXHSPVJKL-UHFFFAOYSA-N 0 1 256.187 3.599 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC([C@@H]2CCOC2)CC1 ZINC000368271367 1119590683 /nfs/dbraw/zinc/59/06/83/1119590683.db2.gz HPPXPQFQRHBMNU-SWLSCSKDSA-N 0 1 295.373 3.774 20 0 CHADMN Cc1ccc(CN(C)C/C=C\c2ccc(F)c(F)c2)nc1 ZINC000685429326 1119606889 /nfs/dbraw/zinc/60/68/89/1119606889.db2.gz KTMBWJYWNAIRFB-ARJAWSKDSA-N 0 1 288.341 3.813 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](c1nccn1C)C1CC1)[C@H](C)C2 ZINC000685439555 1119609300 /nfs/dbraw/zinc/60/93/00/1119609300.db2.gz SOUVXXREOICSKU-XWIAVFTESA-N 0 1 295.430 3.703 20 0 CHADMN Fc1cc(CN2CCC[C@@H](C3CC3)C2)cc(F)c1F ZINC000685476478 1119613821 /nfs/dbraw/zinc/61/38/21/1119613821.db2.gz RLXAKCMXTRMYMA-GFCCVEGCSA-N 0 1 269.310 3.726 20 0 CHADMN FC(F)C1(NC[C@@H]2CCOc3ccccc32)CCCC1 ZINC000685477037 1119614060 /nfs/dbraw/zinc/61/40/60/1119614060.db2.gz SYKZVDXDQWPRSG-LBPRGKRZSA-N 0 1 281.346 3.720 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2c3cccc(F)c3CC[C@H]2C)o1 ZINC000628226372 1119622515 /nfs/dbraw/zinc/62/25/15/1119622515.db2.gz LBMCMEJGHSSMCD-QGHHPUGFSA-N 0 1 288.366 3.844 20 0 CHADMN C[C@H](NC[C@@H]1CCCCC1(F)F)c1nccs1 ZINC000294224224 1119622536 /nfs/dbraw/zinc/62/25/36/1119622536.db2.gz NUXVXFHIKIMIJP-UWVGGRQHSA-N 0 1 260.353 3.619 20 0 CHADMN Oc1ccc2c(c1)CN(CCCCCOc1ccccc1)C2 ZINC000628419278 1128858489 /nfs/dbraw/zinc/85/84/89/1128858489.db2.gz SJLRYNQBOJCUMP-UHFFFAOYSA-N 0 1 297.398 3.957 20 0 CHADMN CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCSC[C@H]2C)c1C ZINC000172590587 1119626743 /nfs/dbraw/zinc/62/67/43/1119626743.db2.gz TXAMKIRTHACGSU-CYBMUJFWSA-N 0 1 291.460 3.752 20 0 CHADMN CC(=O)c1c(C)cc(C)c(CN2CCSC[C@H]2C)c1C ZINC000172590587 1119626744 /nfs/dbraw/zinc/62/67/44/1119626744.db2.gz TXAMKIRTHACGSU-CYBMUJFWSA-N 0 1 291.460 3.752 20 0 CHADMN CN(Cc1cncnc1)C1c2ccccc2-c2ccccc21 ZINC000131263590 1119629207 /nfs/dbraw/zinc/62/92/07/1119629207.db2.gz GEVVBDNTDJKZKH-UHFFFAOYSA-N 0 1 287.366 3.678 20 0 CHADMN c1ccc(C(CN2CC3(C2)CCCO3)c2ccccc2)cc1 ZINC000628427636 1128858887 /nfs/dbraw/zinc/85/88/87/1128858887.db2.gz OMPICYHKBLYZTI-UHFFFAOYSA-N 0 1 293.410 3.683 20 0 CHADMN CCN(Cc1oc(C)nc1C)Cc1ccc(Cl)cc1 ZINC000685561688 1119630801 /nfs/dbraw/zinc/63/08/01/1119630801.db2.gz LQLBCCHWHKBOLX-UHFFFAOYSA-N 0 1 278.783 3.967 20 0 CHADMN CC(C)(C)c1cc(CN2CC[C@@H](C(C)(C)C)C2)no1 ZINC000685572486 1119633078 /nfs/dbraw/zinc/63/30/78/1119633078.db2.gz FJRCGOIJKBPPKB-GFCCVEGCSA-N 0 1 264.413 3.840 20 0 CHADMN C[C@@H]1CN(CCOc2ccccc2Cl)CCC1(F)F ZINC000685590851 1119635943 /nfs/dbraw/zinc/63/59/43/1119635943.db2.gz OBHFJRDWHOXBNJ-LLVKDONJSA-N 0 1 289.753 3.696 20 0 CHADMN Cc1ccc2cc(CN3CC[C@H]4CC[C@@H](C3)S4)[nH]c2c1 ZINC000628423417 1128859346 /nfs/dbraw/zinc/85/93/46/1128859346.db2.gz TVNJRVWYQBKZJK-CVEARBPZSA-N 0 1 286.444 3.946 20 0 CHADMN CC1=C[C@H](C)C[C@H](CNc2cnn(-c3ccncc3)c2)C1 ZINC000685614780 1119638753 /nfs/dbraw/zinc/63/87/53/1119638753.db2.gz BCBZOXYOYWMPOZ-ZFWWWQNUSA-N 0 1 282.391 3.672 20 0 CHADMN CC[C@@H](N[C@@H]1CCCn2nccc21)c1cc(F)ccc1F ZINC000657920549 1119641322 /nfs/dbraw/zinc/64/13/22/1119641322.db2.gz HONSZIZUGMNFJU-HUUCEWRRSA-N 0 1 291.345 3.737 20 0 CHADMN C[C@H](N[C@@H]1COC2(CCC2)C1)c1c(F)cccc1Cl ZINC000657923356 1119642368 /nfs/dbraw/zinc/64/23/68/1119642368.db2.gz SZYCQXWJARLDSW-QWRGUYRKSA-N 0 1 283.774 3.841 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cnccc2C)cc1O ZINC000685649721 1119644493 /nfs/dbraw/zinc/64/44/93/1119644493.db2.gz UALFIIKWFIIIKS-QWHCGFSZSA-N 0 1 286.375 3.516 20 0 CHADMN CCCCC[C@H](C)CC(=O)Nc1cc(CN(C)C)ccn1 ZINC000176940541 1119645682 /nfs/dbraw/zinc/64/56/82/1119645682.db2.gz TWUQILJDKDZLBE-AWEZNQCLSA-N 0 1 291.439 3.688 20 0 CHADMN CCOc1ccc(CN[C@@H](CC)c2ccc(OC)cc2)o1 ZINC000892415391 1119654810 /nfs/dbraw/zinc/65/48/10/1119654810.db2.gz GMNZCNPBEPQQRG-INIZCTEOSA-N 0 1 289.375 3.928 20 0 CHADMN CC[C@@H](NCc1ccc(OC)o1)c1ccc(OC)cc1 ZINC000892415123 1119654970 /nfs/dbraw/zinc/65/49/70/1119654970.db2.gz AWDNFBWANFCMHD-OAHLLOKOSA-N 0 1 275.348 3.538 20 0 CHADMN Cc1ccc(NC(=O)c2c(O)cccc2F)cc1Cl ZINC000235879613 1119655256 /nfs/dbraw/zinc/65/52/56/1119655256.db2.gz DKPTWRKOAFYWBW-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN COc1cccc(CN(C)C[C@H](C)c2nccs2)c1F ZINC000192972226 1119661325 /nfs/dbraw/zinc/66/13/25/1119661325.db2.gz VNTJQMRGAVBHPG-NSHDSACASA-N 0 1 294.395 3.526 20 0 CHADMN C[C@@H](NC1CCC(C2CCC2)CC1)c1csnn1 ZINC000658034876 1119669671 /nfs/dbraw/zinc/66/96/71/1119669671.db2.gz LXUYXKREYHNCFF-QFWMXSHPSA-N 0 1 265.426 3.548 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc3cnccc3o2)cc(C)n1 ZINC000658038849 1119670166 /nfs/dbraw/zinc/67/01/66/1119670166.db2.gz UHRRJRVDSDCXRH-CYBMUJFWSA-N 0 1 281.359 3.690 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccc3occc3c2)c(C)n1 ZINC000658118992 1119687745 /nfs/dbraw/zinc/68/77/45/1119687745.db2.gz JGZPLQLXGYTINW-LLVKDONJSA-N 0 1 281.359 3.690 20 0 CHADMN C[C@@H](NC[C@@H](OC1CCCC1)C(F)(F)F)c1ccoc1 ZINC000658123411 1119689060 /nfs/dbraw/zinc/68/90/60/1119689060.db2.gz JHTYXLCJQTUWQH-ZWNOBZJWSA-N 0 1 291.313 3.820 20 0 CHADMN Fc1ccc([C@H](NC[C@@H]2CCC[C@@H]3C[C@@H]32)c2ncc[nH]2)cc1 ZINC000658204841 1119701324 /nfs/dbraw/zinc/70/13/24/1119701324.db2.gz CCIKBVKWQZNKOV-OHFALNGGSA-N 0 1 299.393 3.664 20 0 CHADMN CC(C)c1nc([C@H](C)NCCc2ccoc2)cs1 ZINC000658202462 1119701497 /nfs/dbraw/zinc/70/14/97/1119701497.db2.gz UNRHFUROUQLVEM-NSHDSACASA-N 0 1 264.394 3.753 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@]2(C)CC2(F)F)cs1 ZINC000658218255 1119702955 /nfs/dbraw/zinc/70/29/55/1119702955.db2.gz IVUZBFIGKOFOFB-CABZTGNLSA-N 0 1 274.380 3.962 20 0 CHADMN C[C@H](NC[C@@H]1CCC[C@@H](C)O1)c1nc2c(s1)CCCC2 ZINC000658221533 1119704582 /nfs/dbraw/zinc/70/45/82/1119704582.db2.gz UJWHOXGNGFBMEV-AGIUHOORSA-N 0 1 294.464 3.630 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2CCc3ccc(O)cc32)o1 ZINC000658238861 1119710397 /nfs/dbraw/zinc/71/03/97/1119710397.db2.gz LJULMCUJPOMIOK-XHDPSFHLSA-N 0 1 257.333 3.632 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCCC[C@H]2C2CCC2)c1 ZINC000647377463 1119711825 /nfs/dbraw/zinc/71/18/25/1119711825.db2.gz LMTORXSTRKVLAH-INIZCTEOSA-N 0 1 273.376 3.539 20 0 CHADMN CCC[C@H](NCc1c(C2CCC2)cnn1C)c1ccccn1 ZINC000658268627 1119712551 /nfs/dbraw/zinc/71/25/51/1119712551.db2.gz QIDMTYGSZDEELT-INIZCTEOSA-N 0 1 298.434 3.714 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](OC(C)(C)C)C12CCC2)c1nccs1 ZINC000658255545 1119714264 /nfs/dbraw/zinc/71/42/64/1119714264.db2.gz VJBWGWWUGLQVRA-XQQFMLRXSA-N 0 1 294.464 3.920 20 0 CHADMN CCCCCN(Cc1nnc(CC)o1)[C@H](C)CCC ZINC000101731361 1119715162 /nfs/dbraw/zinc/71/51/62/1119715162.db2.gz BNJAYMFRODZWMG-CYBMUJFWSA-N 0 1 267.417 3.813 20 0 CHADMN CC(C)[C@@H](O)[C@H](N[C@@H](C)c1cccc(O)c1)c1ccccc1 ZINC000658286750 1119718205 /nfs/dbraw/zinc/71/82/05/1119718205.db2.gz BPQNGIOFJXZMIO-GDIGMMSISA-N 0 1 299.414 3.801 20 0 CHADMN Cc1c([C@@H](C)NCC2=CCCC2)nnn1-c1ccc(C)cc1 ZINC000658292907 1119719786 /nfs/dbraw/zinc/71/97/86/1119719786.db2.gz OSARSWXQMAKSFA-CQSZACIVSA-N 0 1 296.418 3.645 20 0 CHADMN C[C@H](N[C@]1(C)CC1(C)C)c1ncc(Br)s1 ZINC000658309702 1119721653 /nfs/dbraw/zinc/72/16/53/1119721653.db2.gz YAMJDIBYARMMTD-WRWORJQWSA-N 0 1 289.242 3.745 20 0 CHADMN CO[C@H](CN[C@H](C)c1csc(C)n1)C1CCCCC1 ZINC000658327560 1119725641 /nfs/dbraw/zinc/72/56/41/1119725641.db2.gz ORTZAUALKSXBRG-IAQYHMDHSA-N 0 1 282.453 3.697 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c3ccccc3[nH]c21)c1nccn1C ZINC000658337722 1119727055 /nfs/dbraw/zinc/72/70/55/1119727055.db2.gz GINRBLNGHFYSAK-BLLLJJGKSA-N 0 1 294.402 3.630 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2N[C@@H](C)c1nccnc1C ZINC000658340325 1119728301 /nfs/dbraw/zinc/72/83/01/1119728301.db2.gz XOJGZMRGTWBAHG-YOEHRIQHSA-N 0 1 281.403 3.822 20 0 CHADMN CC[C@H](N[C@@H](c1ccccc1)[C@@H](C)O)c1ccccc1F ZINC000658358973 1119730881 /nfs/dbraw/zinc/73/08/81/1119730881.db2.gz BOVBZKUMKIFGIX-JEBQAFNWSA-N 0 1 287.378 3.989 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@@H](c2ccccc2)[C@@H](C)O)s1 ZINC000658360044 1119731516 /nfs/dbraw/zinc/73/15/16/1119731516.db2.gz GULPUSSVVOWCQG-YWPYICTPSA-N 0 1 290.432 3.533 20 0 CHADMN CCC[C@@H](N[C@H]1CC12CC2)c1ncccc1Cl ZINC000926615973 1119732199 /nfs/dbraw/zinc/73/21/99/1119732199.db2.gz QLFKXGMFUGGIKE-NEPJUHHUSA-N 0 1 250.773 3.718 20 0 CHADMN C[C@@H](O)[C@@H](N[C@@H](C)c1cc(F)cc(F)c1)c1ccccc1 ZINC000658364081 1119732445 /nfs/dbraw/zinc/73/24/45/1119732445.db2.gz ZICMDLLQOXMTPB-XWCIJXRUSA-N 0 1 291.341 3.738 20 0 CHADMN CC[C@H](NCc1c(Cl)c(C)nn1C)c1ccc(C)cc1 ZINC000892439488 1119737626 /nfs/dbraw/zinc/73/76/26/1119737626.db2.gz WVZHEVUZSYMCDR-AWEZNQCLSA-N 0 1 291.826 3.931 20 0 CHADMN C[C@H]1CCC[N@H+]1Cc1ccccc1OC(F)(F)F ZINC000202498306 1119744691 /nfs/dbraw/zinc/74/46/91/1119744691.db2.gz HOHXKSYUSRJSFA-JTQLQIEISA-N 0 1 259.271 3.570 20 0 CHADMN C[C@H]1CCCN1Cc1ccccc1OC(F)(F)F ZINC000202498306 1119744694 /nfs/dbraw/zinc/74/46/94/1119744694.db2.gz HOHXKSYUSRJSFA-JTQLQIEISA-N 0 1 259.271 3.570 20 0 CHADMN CC(C)n1cc(CN2CCC(Oc3ccccc3)CC2)cn1 ZINC000179503260 1119744927 /nfs/dbraw/zinc/74/49/27/1119744927.db2.gz LLVDELYUUREFRG-UHFFFAOYSA-N 0 1 299.418 3.507 20 0 CHADMN Cc1ncc(CN[C@@H]2CCc3ccc(C(C)C)cc32)o1 ZINC000628242085 1119745258 /nfs/dbraw/zinc/74/52/58/1119745258.db2.gz RGIZYKIDVXNYKV-QGZVFWFLSA-N 0 1 270.376 3.884 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(OC(F)F)cc2)sn1 ZINC000404406644 1119752203 /nfs/dbraw/zinc/75/22/03/1119752203.db2.gz VNQCDKAXTMNJPT-SNVBAGLBSA-N 0 1 298.358 3.904 20 0 CHADMN CCc1ccc([C@@H](NCc2nccn2CC)C(C)C)cc1 ZINC000051921249 1119764205 /nfs/dbraw/zinc/76/42/05/1119764205.db2.gz MWSHLTPGVTUUHV-SFHVURJKSA-N 0 1 285.435 3.952 20 0 CHADMN COCCCC[C@@H](NCc1cnc(C)o1)c1ccccc1 ZINC000628255594 1119765701 /nfs/dbraw/zinc/76/57/01/1119765701.db2.gz RXHDLUOAQSZBMW-QGZVFWFLSA-N 0 1 288.391 3.631 20 0 CHADMN C[C@H]1Cc2ccc(F)cc2[C@@H]1NCc1cccc2c1OCO2 ZINC000151036679 1119766563 /nfs/dbraw/zinc/76/65/63/1119766563.db2.gz KWJMKAWLRGJAIA-APPDUMDISA-N 0 1 299.345 3.578 20 0 CHADMN Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc(F)cc1C ZINC000375845447 1119767425 /nfs/dbraw/zinc/76/74/25/1119767425.db2.gz GTETYCXQGDAWGL-QGZVFWFLSA-N 0 1 287.382 3.513 20 0 CHADMN CC[C@H](NCc1ccc(Cl)cc1Cl)c1cnn(C)c1 ZINC000151537458 1119776159 /nfs/dbraw/zinc/77/61/59/1119776159.db2.gz OELPXLZLVDMTCM-AWEZNQCLSA-N 0 1 298.217 3.968 20 0 CHADMN CC(=O)c1cc(CN2CCC[C@@H]2CCC2CCCC2)on1 ZINC000584477674 1119783106 /nfs/dbraw/zinc/78/31/06/1119783106.db2.gz PTOIXEUKTPZHNA-OAHLLOKOSA-N 0 1 290.407 3.812 20 0 CHADMN Cc1nc(CN2CC[C@@H](C(C)(C)C)C[C@@H]2C)[nH]c1C ZINC000628282023 1119791267 /nfs/dbraw/zinc/79/12/67/1119791267.db2.gz KRQLYSMDFNXILW-SMDDNHRTSA-N 0 1 263.429 3.673 20 0 CHADMN CC[C@@H](C(=O)NOC1CCCCC1)c1ccc(F)cc1 ZINC000779316437 1128870827 /nfs/dbraw/zinc/87/08/27/1128870827.db2.gz CZUXCESBAZLXKK-OAHLLOKOSA-N 0 1 279.355 3.700 20 0 CHADMN Clc1ccnc2c1CC[C@@H]2NCc1cccs1 ZINC000924560011 1119835378 /nfs/dbraw/zinc/83/53/78/1119835378.db2.gz NVHKZLWWGHGFHC-LBPRGKRZSA-N 0 1 264.781 3.574 20 0 CHADMN Cc1ccc(CSc2nc3ccc(C)cc3[nH]2)nc1 ZINC000224688070 1119844413 /nfs/dbraw/zinc/84/44/13/1119844413.db2.gz CIINLJRGBBDSEN-UHFFFAOYSA-N 0 1 269.373 3.867 20 0 CHADMN OCC[C@@H](N[C@H]1CCc2c1cccc2Cl)c1ccco1 ZINC000545279525 1119849180 /nfs/dbraw/zinc/84/91/80/1119849180.db2.gz BWBRMRJVOCXRJP-LSDHHAIUSA-N 0 1 291.778 3.634 20 0 CHADMN C[C@H](N[C@H]1CCOc2ccccc21)c1cccc2c1OCO2 ZINC000924564369 1119855751 /nfs/dbraw/zinc/85/57/51/1119855751.db2.gz QCWVGVYSIHAORU-WFASDCNBSA-N 0 1 297.354 3.590 20 0 CHADMN Cc1cn[nH]c1C[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000685838149 1119856839 /nfs/dbraw/zinc/85/68/39/1119856839.db2.gz RXNUITWWHXRERT-FUHWJXTLSA-N 0 1 283.419 3.795 20 0 CHADMN Cc1c[nH]nc1C[N@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000685837622 1119857212 /nfs/dbraw/zinc/85/72/12/1119857212.db2.gz BEJRGUDXBNTVCC-KRWDZBQOSA-N 0 1 269.392 3.754 20 0 CHADMN Cc1c[nH]nc1CN1CCCC[C@H]1c1ccc(C)cc1 ZINC000685837622 1119857213 /nfs/dbraw/zinc/85/72/13/1119857213.db2.gz BEJRGUDXBNTVCC-KRWDZBQOSA-N 0 1 269.392 3.754 20 0 CHADMN C[C@H](c1cccs1)[N@@H+](C)Cc1cccc(F)c1N ZINC000156361703 1119859727 /nfs/dbraw/zinc/85/97/27/1119859727.db2.gz OHMGSOUGWRMJIH-SNVBAGLBSA-N 0 1 264.369 3.662 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1cccc(F)c1N ZINC000156361703 1119859728 /nfs/dbraw/zinc/85/97/28/1119859728.db2.gz OHMGSOUGWRMJIH-SNVBAGLBSA-N 0 1 264.369 3.662 20 0 CHADMN CCn1ccc(CN(C)Cc2ccc(SC)s2)c1 ZINC000685844574 1119863735 /nfs/dbraw/zinc/86/37/35/1119863735.db2.gz YJVZCFHCOKCRRM-UHFFFAOYSA-N 0 1 280.462 3.923 20 0 CHADMN COc1ccc(CN2CC[C@@H]2c2ccccc2)cc1OC ZINC000431736847 1119864204 /nfs/dbraw/zinc/86/42/04/1119864204.db2.gz CSGFNGILEFXIAW-MRXNPFEDSA-N 0 1 283.371 3.651 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccccc2F)c(C)c1 ZINC000414050710 1119866759 /nfs/dbraw/zinc/86/67/59/1119866759.db2.gz IFIUGSYADQDPAH-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN CN(Cc1ccccc1Cl)C[C@H](O)c1ccc(F)cc1 ZINC000066346887 1119868529 /nfs/dbraw/zinc/86/85/29/1119868529.db2.gz AYMQTVZIZQSRQA-INIZCTEOSA-N 0 1 293.769 3.645 20 0 CHADMN COc1cccc(CN2CC3(CCC3)[C@@H]2C2CC2)c1F ZINC000685850065 1119872547 /nfs/dbraw/zinc/87/25/47/1119872547.db2.gz SWHRGOHFCCZFOE-INIZCTEOSA-N 0 1 275.367 3.599 20 0 CHADMN COc1ccc([C@H](C)NCc2cccc3c2OCO3)c(C)c1 ZINC000414061652 1119876116 /nfs/dbraw/zinc/87/61/16/1119876116.db2.gz CBWCBZMNYDJHLA-ZDUSSCGKSA-N 0 1 299.370 3.583 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1cc2n(n1)CCC2)c1ccccc1 ZINC000414066152 1119879931 /nfs/dbraw/zinc/87/99/31/1119879931.db2.gz PIBHTXJCQKGJCW-RDTXWAMCSA-N 0 1 283.419 3.877 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000613196110 1119883102 /nfs/dbraw/zinc/88/31/02/1119883102.db2.gz BPSPTLYBUFTBBJ-SECBINFHSA-N 0 1 283.322 3.565 20 0 CHADMN Clc1cccc(CN2CCC[C@@H](c3ccncn3)C2)c1 ZINC000613208343 1119886890 /nfs/dbraw/zinc/88/68/90/1119886890.db2.gz FPYPAMIFJWZMRP-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN CCc1cnc(CN[C@@H](C)[C@H]2CCC[C@@H](C)C2)o1 ZINC000570772396 1119890827 /nfs/dbraw/zinc/89/08/27/1119890827.db2.gz KWQDMKYKANFUNJ-AGIUHOORSA-N 0 1 250.386 3.541 20 0 CHADMN Cc1ccc(-c2noc([C@H]3CCCN3C(C)C)n2)cc1F ZINC000923784643 1119891837 /nfs/dbraw/zinc/89/18/37/1119891837.db2.gz XOMVADOULVMVJC-CQSZACIVSA-N 0 1 289.354 3.729 20 0 CHADMN Cc1cc([C@H](N[C@H](C)c2ccn(C)n2)C2CC2)ccc1F ZINC000414099010 1119898620 /nfs/dbraw/zinc/89/86/20/1119898620.db2.gz KHAUNNVNPZFPFY-SJKOYZFVSA-N 0 1 287.382 3.670 20 0 CHADMN CCCC(CCC)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000511483179 1119905066 /nfs/dbraw/zinc/90/50/66/1119905066.db2.gz MCZUYZVTUKMNOM-UHFFFAOYSA-N 0 1 259.353 3.718 20 0 CHADMN Cc1ccc(SC[C@@H](C)N[C@@H](C)c2ccn(C)n2)cc1 ZINC000414131570 1119911007 /nfs/dbraw/zinc/91/10/07/1119911007.db2.gz LENGKEVNKMLLFK-KGLIPLIRSA-N 0 1 289.448 3.560 20 0 CHADMN CCN(CC)CC(=O)N1Cc2ccccc2-c2ccccc21 ZINC000613432501 1119924336 /nfs/dbraw/zinc/92/43/36/1119924336.db2.gz DPAFSMHDRQPCAM-UHFFFAOYSA-N 0 1 294.398 3.542 20 0 CHADMN C[C@@H](NCC1CCc2ccccc2CC1)c1ncco1 ZINC000926747110 1119925810 /nfs/dbraw/zinc/92/58/10/1119925810.db2.gz NQUOKVNBSVAJKQ-CYBMUJFWSA-N 0 1 270.376 3.520 20 0 CHADMN Cc1ncc(CN[C@H](CC(C)C)c2cccs2)o1 ZINC000414174150 1119926398 /nfs/dbraw/zinc/92/63/98/1119926398.db2.gz GLMNDJGIKQOUKL-CYBMUJFWSA-N 0 1 264.394 3.922 20 0 CHADMN CCn1ccc(CN[C@H](c2ccc(C)cc2)C2CCC2)n1 ZINC000414204146 1119937377 /nfs/dbraw/zinc/93/73/77/1119937377.db2.gz FQIAGWUDPVIQDG-SFHVURJKSA-N 0 1 283.419 3.842 20 0 CHADMN CN(Cc1ccn(-c2ccccc2)n1)CC1CCCCC1 ZINC000613484753 1119938884 /nfs/dbraw/zinc/93/88/84/1119938884.db2.gz TUQZSFQRBMPIHH-UHFFFAOYSA-N 0 1 283.419 3.884 20 0 CHADMN CCn1ccc(CN[C@@H]2CCCc3c(C)ccc(C)c32)n1 ZINC000414212192 1119941656 /nfs/dbraw/zinc/94/16/56/1119941656.db2.gz RKAVZZJWKMEVBW-QGZVFWFLSA-N 0 1 283.419 3.687 20 0 CHADMN Cc1ccc(CN[C@@H]2CCn3ccnc32)c2ccccc12 ZINC000414215850 1119943537 /nfs/dbraw/zinc/94/35/37/1119943537.db2.gz YMDNNVCGTQCBAH-QGZVFWFLSA-N 0 1 277.371 3.579 20 0 CHADMN CC[C@@H](N[C@H]1C[C@H](C)n2ccnc21)c1ccccc1 ZINC000414225637 1119946799 /nfs/dbraw/zinc/94/67/99/1119946799.db2.gz SKWZTWSXOBBDGE-CFVMTHIKSA-N 0 1 255.365 3.630 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H]2CS[C@H](C)C2)cs1 ZINC000414230843 1119949557 /nfs/dbraw/zinc/94/95/57/1119949557.db2.gz OKVWDDPXGRVSPA-OUAUKWLOSA-N 0 1 270.467 3.811 20 0 CHADMN FC(F)(F)c1ccnc(CN[C@H]2CCC[C@H](C3CC3)C2)n1 ZINC000414260217 1119958719 /nfs/dbraw/zinc/95/87/19/1119958719.db2.gz QPIRFLBBFVRITF-RYUDHWBXSA-N 0 1 299.340 3.554 20 0 CHADMN FC(F)(F)c1ccnc(CN[C@H]2CCC[C@@H](C3CC3)C2)n1 ZINC000414260212 1119958923 /nfs/dbraw/zinc/95/89/23/1119958923.db2.gz QPIRFLBBFVRITF-NEPJUHHUSA-N 0 1 299.340 3.554 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2ccoc2C)cc1OC ZINC000414263110 1119959887 /nfs/dbraw/zinc/95/98/87/1119959887.db2.gz JCCPSZSECQFXEU-GFCCVEGCSA-N 0 1 289.375 3.846 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1ccc(F)c(C#N)c1 ZINC000160788403 1119961171 /nfs/dbraw/zinc/96/11/71/1119961171.db2.gz NAPLEVRSANTLLL-ZDUSSCGKSA-N 0 1 298.361 3.899 20 0 CHADMN C[C@@H](N[C@H](C)C1CCCCCC1)c1csnn1 ZINC000414297377 1119971302 /nfs/dbraw/zinc/97/13/02/1119971302.db2.gz HJPYRMKXZJQNGG-GHMZBOCLSA-N 0 1 253.415 3.548 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N[C@@H](C)c1csnn1 ZINC000414304607 1119975019 /nfs/dbraw/zinc/97/50/19/1119975019.db2.gz OZHKYVQGQJSUMP-JSGCOSHPSA-N 0 1 275.421 3.518 20 0 CHADMN CC(C)C1CCC(NCc2nnc(C3CC3)s2)CC1 ZINC000414322514 1119982823 /nfs/dbraw/zinc/98/28/23/1119982823.db2.gz GSWHODCKRXEXBV-UHFFFAOYSA-N 0 1 279.453 3.720 20 0 CHADMN CCc1cccc2c1OCC[C@@H]2NCc1ccoc1C ZINC000414325687 1119984617 /nfs/dbraw/zinc/98/46/17/1119984617.db2.gz KVHXDIZQOILBEU-INIZCTEOSA-N 0 1 271.360 3.764 20 0 CHADMN CC(C)CCC[C@H](C)NCc1nnc(C2CC2)s1 ZINC000414326949 1119985781 /nfs/dbraw/zinc/98/57/81/1119985781.db2.gz OFZXEEZBQGRPTG-NSHDSACASA-N 0 1 267.442 3.720 20 0 CHADMN CCCC[C@@H](NCc1ccc(C)nn1)c1ccc(OC)cc1 ZINC000414331883 1119986696 /nfs/dbraw/zinc/98/66/96/1119986696.db2.gz UOOVFJLSUIUNCM-GOSISDBHSA-N 0 1 299.418 3.815 20 0 CHADMN Cc1occc1CNCc1ccnc(N2CCCCCC2)c1 ZINC000414339499 1119989453 /nfs/dbraw/zinc/98/94/53/1119989453.db2.gz MTKQEXXZMUDYHG-UHFFFAOYSA-N 0 1 299.418 3.653 20 0 CHADMN COc1cccc([C@@H](C)NCc2cc(O)cc(Cl)c2)c1 ZINC000892633760 1119998190 /nfs/dbraw/zinc/99/81/90/1119998190.db2.gz IUGKYJFPIUQLMQ-LLVKDONJSA-N 0 1 291.778 3.905 20 0 CHADMN Cc1ccc(C)c(NCc2nccc3ccccc32)n1 ZINC001167700921 1119999700 /nfs/dbraw/zinc/99/97/00/1119999700.db2.gz WNVITOOMYVARRH-UHFFFAOYSA-N 0 1 263.344 3.859 20 0 CHADMN CCc1ncc(CN2CCCCC[C@H]2c2ccncc2)cn1 ZINC000414370504 1120001703 /nfs/dbraw/zinc/00/17/03/1120001703.db2.gz WNFQOZOIMSPRHO-KRWDZBQOSA-N 0 1 296.418 3.551 20 0 CHADMN CCc1ncc(CN(C)Cc2ccc(C(C)C)cc2)cn1 ZINC000414371308 1120002936 /nfs/dbraw/zinc/00/29/36/1120002936.db2.gz NEKUKVQVVYVGRT-UHFFFAOYSA-N 0 1 283.419 3.794 20 0 CHADMN COc1cc([C@H](C)N[C@H](c2ccc(F)cc2)C(C)C)on1 ZINC000924581179 1120004507 /nfs/dbraw/zinc/00/45/07/1120004507.db2.gz PAFAFQSCJAZERU-ZBEGNZNMSA-N 0 1 292.354 3.870 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2ccc(C)nn2)cc1 ZINC000414375012 1120005539 /nfs/dbraw/zinc/00/55/39/1120005539.db2.gz XGSJEOCSRHMIJM-SFHVURJKSA-N 0 1 297.402 3.521 20 0 CHADMN CCN(Cc1ccc(C)nn1)[C@H](C)c1ccc(F)cc1 ZINC000414373720 1120005777 /nfs/dbraw/zinc/00/57/77/1120005777.db2.gz SOJRPZTYHOVZDH-CYBMUJFWSA-N 0 1 273.355 3.507 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2ccc(C)nn2)cc1 ZINC000414375011 1120005891 /nfs/dbraw/zinc/00/58/91/1120005891.db2.gz XGSJEOCSRHMIJM-GOSISDBHSA-N 0 1 297.402 3.521 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCC[C@H]1[C@@H]1CCCO1 ZINC000376488654 1120011243 /nfs/dbraw/zinc/01/12/43/1120011243.db2.gz RWIHOXVOFNXASJ-IRXDYDNUSA-N 0 1 286.350 3.522 20 0 CHADMN Cc1nc(SC2CCOCC2)[nH]c1-c1ccccc1 ZINC000187141776 1120011661 /nfs/dbraw/zinc/01/16/61/1120011661.db2.gz QPHFLNREQJZZCD-UHFFFAOYSA-N 0 1 274.389 3.656 20 0 CHADMN COc1ccc(CN(C)CCC(F)(F)F)cc1Cl ZINC000536539057 1120013888 /nfs/dbraw/zinc/01/38/88/1120013888.db2.gz HKRIXXVAVQXNTQ-UHFFFAOYSA-N 0 1 281.705 3.733 20 0 CHADMN CCOC(=O)/C=C\CN1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001167704989 1120015203 /nfs/dbraw/zinc/01/52/03/1120015203.db2.gz FWVRERWKQJSQAO-ICIZHURDSA-N 0 1 299.414 3.507 20 0 CHADMN Cc1nc2c(s1)CN(CCc1cccc(Cl)c1)CC2 ZINC001207422890 1120016361 /nfs/dbraw/zinc/01/63/61/1120016361.db2.gz LCXJYAIZSDPOJU-UHFFFAOYSA-N 0 1 292.835 3.706 20 0 CHADMN Cc1nccc(N2CCCC(F)(F)CC2)c1Cl ZINC000624520865 1120020370 /nfs/dbraw/zinc/02/03/70/1120020370.db2.gz CSPYDJOEEHHLTG-UHFFFAOYSA-N 0 1 260.715 3.669 20 0 CHADMN Cc1nccc(N2CC[C@H]3CC[C@@H](C2)S3)c1Cl ZINC000624523718 1120022204 /nfs/dbraw/zinc/02/22/04/1120022204.db2.gz JAIBBRXWLAFPJO-MNOVXSKESA-N 0 1 268.813 3.518 20 0 CHADMN CC(C)c1ccc([C@@H](C)[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000003762704 1120022812 /nfs/dbraw/zinc/02/28/12/1120022812.db2.gz ZPLIHBVIYTZGNA-CZUORRHYSA-N 0 1 275.392 3.668 20 0 CHADMN C[C@H](NCCCOc1cccc(Cl)c1)c1cscn1 ZINC000661425356 1120024721 /nfs/dbraw/zinc/02/47/21/1120024721.db2.gz SPECKVPJWHQJSE-NSHDSACASA-N 0 1 296.823 3.916 20 0 CHADMN Cc1cccc(-c2noc(CN(C)[C@H](C)C3(C)CC3)n2)c1 ZINC000177230199 1120029153 /nfs/dbraw/zinc/02/91/53/1120029153.db2.gz ODXXRGOMPGBGRA-CYBMUJFWSA-N 0 1 285.391 3.665 20 0 CHADMN C[C@H](NCc1cccc(CO)c1)c1ccccc1Cl ZINC000177306099 1120029866 /nfs/dbraw/zinc/02/98/66/1120029866.db2.gz FTMIHRTUUYMVAZ-LBPRGKRZSA-N 0 1 275.779 3.683 20 0 CHADMN COCCOc1ccc(CN[C@H](C)c2ccc(C)s2)o1 ZINC000892668783 1120033450 /nfs/dbraw/zinc/03/34/50/1120033450.db2.gz MTWFMLCYMJZKNI-GFCCVEGCSA-N 0 1 295.404 3.526 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccc(C)s2)o1 ZINC000892669366 1120034405 /nfs/dbraw/zinc/03/44/05/1120034405.db2.gz RPAFXPOOCONAJS-LLVKDONJSA-N 0 1 265.378 3.899 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C2CC2)C2CCCCC2)c1 ZINC000588090432 1120043203 /nfs/dbraw/zinc/04/32/03/1120043203.db2.gz DKIYIIUZTPDMTF-UHFFFAOYSA-N 0 1 297.402 3.809 20 0 CHADMN CCOc1ccc(CNC(C)(C)c2ccccc2)o1 ZINC000892680193 1120061213 /nfs/dbraw/zinc/06/12/13/1120061213.db2.gz XUXARODZJFLRTK-UHFFFAOYSA-N 0 1 259.349 3.703 20 0 CHADMN CCn1cc(CN[C@@H]2CCc3c2cccc3Cl)c(C)n1 ZINC000892680870 1120063626 /nfs/dbraw/zinc/06/36/26/1120063626.db2.gz VHPGKVKAXBDESF-MRXNPFEDSA-N 0 1 289.810 3.642 20 0 CHADMN CC(C)(NCc1cnn(C2CCC2)c1)c1ccc(F)cc1 ZINC000921670159 1120063637 /nfs/dbraw/zinc/06/36/37/1120063637.db2.gz CHYBOUFRHBLBRE-UHFFFAOYSA-N 0 1 287.382 3.772 20 0 CHADMN C[C@@H]1C[C@H](N[C@H](CCc2ccccc2)C(F)F)C[C@H](C)O1 ZINC000623658323 1120066671 /nfs/dbraw/zinc/06/66/71/1120066671.db2.gz RHUSMEXSINGILC-BFJAYTPKSA-N 0 1 297.389 3.799 20 0 CHADMN Fc1cc(-c2ccoc2)cc(F)c1CN1CCCC1 ZINC001239692299 1120073156 /nfs/dbraw/zinc/07/31/56/1120073156.db2.gz SIEWMDYCFFZKKY-UHFFFAOYSA-N 0 1 263.287 3.821 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(C(C)(C)C)cc2)[nH]n1 ZINC000589641009 1120086447 /nfs/dbraw/zinc/08/64/47/1120086447.db2.gz FLDSRHBVMHMSPU-ZDUSSCGKSA-N 0 1 271.408 3.866 20 0 CHADMN CN(C(=O)c1cccc2c[nH]nc21)C(C)(C)c1ccccc1 ZINC000671892595 1120087907 /nfs/dbraw/zinc/08/79/07/1120087907.db2.gz VXKKWEWRUWKUHC-UHFFFAOYSA-N 0 1 293.370 3.570 20 0 CHADMN COc1ccccc1[C@@H]1CCCN1C/C=C/Cl ZINC000069610890 1128889559 /nfs/dbraw/zinc/88/95/59/1128889559.db2.gz HCZDNHKVVBNBEJ-NEXMIYJRSA-N 0 1 251.757 3.585 20 0 CHADMN COC[C@H](CC(C)(C)C)N[C@@H](C)c1nc(C)sc1C ZINC000655831896 1120095092 /nfs/dbraw/zinc/09/50/92/1120095092.db2.gz OAUYACHXFVQVKD-GWCFXTLKSA-N 0 1 284.469 3.862 20 0 CHADMN C[C@H](NCCn1cccn1)c1cc(Cl)sc1Cl ZINC000180429530 1120099856 /nfs/dbraw/zinc/09/98/56/1120099856.db2.gz VKRFVUCHCXDJBW-QMMMGPOBSA-N 0 1 290.219 3.602 20 0 CHADMN CC[C@H](CSC)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343837106 1120101834 /nfs/dbraw/zinc/10/18/34/1120101834.db2.gz IHLUAOBLNBHMFH-JGVFFNPUSA-N 0 1 298.399 3.954 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccc3ccccc32)nn1C ZINC000282285222 1120103875 /nfs/dbraw/zinc/10/38/75/1120103875.db2.gz RVUOCLJQEAMNIB-CQSZACIVSA-N 0 1 279.387 3.733 20 0 CHADMN CC(C)OCCN[C@H](C)c1c(F)cccc1Cl ZINC000181731812 1120106004 /nfs/dbraw/zinc/10/60/04/1120106004.db2.gz OLYNNGUFVHJIIO-SNVBAGLBSA-N 0 1 259.752 3.555 20 0 CHADMN C[C@@H](NCCOCC1CC1)c1c(F)cccc1Cl ZINC000181740351 1120106960 /nfs/dbraw/zinc/10/69/60/1120106960.db2.gz QRGGMHSHGSFDMR-SNVBAGLBSA-N 0 1 271.763 3.556 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1ccc(Cl)cc1F ZINC000659797112 1120111942 /nfs/dbraw/zinc/11/19/42/1120111942.db2.gz DBSCGMYHUXUQSE-NRUUGDAUSA-N 0 1 299.773 3.553 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](C3CCCCC3)C2)o1 ZINC000659803729 1120113204 /nfs/dbraw/zinc/11/32/04/1120113204.db2.gz NUUCXBTXBDBTTB-CQSZACIVSA-N 0 1 291.391 3.770 20 0 CHADMN CCC(CC)CCC[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000659801623 1120113320 /nfs/dbraw/zinc/11/33/20/1120113320.db2.gz JEVBRDILTFOLNC-MRXNPFEDSA-N 0 1 277.408 3.961 20 0 CHADMN c1csc([C@@H]2CCCN2Cc2cc(C3CC3)no2)c1 ZINC000659818318 1120116963 /nfs/dbraw/zinc/11/69/63/1120116963.db2.gz WGNVPYIFQAOGHN-AWEZNQCLSA-N 0 1 274.389 3.951 20 0 CHADMN Cc1cc(CN(C)Cc2ccc3ccccc3c2)nc(C)n1 ZINC000659820504 1120117784 /nfs/dbraw/zinc/11/77/84/1120117784.db2.gz HHBYXAWTTWCAGE-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC(c2cn[nH]c2)CC1 ZINC000356744716 1120119228 /nfs/dbraw/zinc/11/92/28/1120119228.db2.gz PLAGQVAJNMRXCK-NSHDSACASA-N 0 1 291.345 3.629 20 0 CHADMN CN(Cc1c[nH]c2ccc(Cl)cc12)Cc1cccnc1 ZINC001137706520 1120119925 /nfs/dbraw/zinc/11/99/25/1120119925.db2.gz GDSCPEMNKQXIAB-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(C)cc3)CC2)o1 ZINC001116439723 1120120952 /nfs/dbraw/zinc/12/09/52/1120120952.db2.gz PFDYMUNEDSVDPK-UHFFFAOYSA-N 0 1 298.430 3.604 20 0 CHADMN C[C@@H]1[C@H](C)SCCN1C/C=C/c1ccc(F)cc1F ZINC000542702718 1120122856 /nfs/dbraw/zinc/12/28/56/1120122856.db2.gz RAQNKNQLTMWDFG-LXYZTQFVSA-N 0 1 283.387 3.804 20 0 CHADMN Cc1ccc(CNCc2cccc(F)c2F)c(C)c1 ZINC000107711729 1120125985 /nfs/dbraw/zinc/12/59/85/1120125985.db2.gz UCKGOMGCRVDTRV-UHFFFAOYSA-N 0 1 261.315 3.871 20 0 CHADMN Cc1ccccc1CN(C)Cc1cc(Cl)ccn1 ZINC000092407583 1120131443 /nfs/dbraw/zinc/13/14/43/1120131443.db2.gz JYUOPDFEIZLKRM-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN CCOc1ccc(F)c(F)c1CN1C[C@H]2CCCC[C@@H]2C1 ZINC001143486712 1120134532 /nfs/dbraw/zinc/13/45/32/1120134532.db2.gz HIKQNVKBQVKHNK-CHWSQXEVSA-N 0 1 295.373 3.986 20 0 CHADMN COc1ccc(CNCc2ccc(C(C)(C)C)cc2)nc1 ZINC000892745837 1120134688 /nfs/dbraw/zinc/13/46/88/1120134688.db2.gz SOGGNBNUSSRYHU-UHFFFAOYSA-N 0 1 284.403 3.678 20 0 CHADMN CCOc1ccc(F)c(F)c1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC001143486711 1120134724 /nfs/dbraw/zinc/13/47/24/1120134724.db2.gz HIKQNVKBQVKHNK-BETUJISGSA-N 0 1 295.373 3.986 20 0 CHADMN Fc1ccc(C2(NCc3cnn(CC4CCC4)c3)CC2)cc1 ZINC000921696583 1120135377 /nfs/dbraw/zinc/13/53/77/1120135377.db2.gz UEJFELFGYXVKDH-UHFFFAOYSA-N 0 1 299.393 3.601 20 0 CHADMN CCOc1cccc([C@H](C)NCc2cnc(F)cc2C)c1 ZINC000892758385 1120137284 /nfs/dbraw/zinc/13/72/84/1120137284.db2.gz QJFNNQZZMBZCNK-ZDUSSCGKSA-N 0 1 288.366 3.779 20 0 CHADMN Cc1nnc([C@@H](C)N[C@H](C)C23CC4CC(CC(C4)C2)C3)o1 ZINC000183641821 1120138279 /nfs/dbraw/zinc/13/82/79/1120138279.db2.gz HCULHIJYTYTXLU-WOEPTQCBSA-N 0 1 289.423 3.634 20 0 CHADMN CCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000301492783 1120138653 /nfs/dbraw/zinc/13/86/53/1120138653.db2.gz QSIHQPRWHPQVQV-INIZCTEOSA-N 0 1 296.414 3.844 20 0 CHADMN Cc1nc(C2(NC[C@@H]3CCCC[C@@H]3C)CCCC2)no1 ZINC000183668054 1120138979 /nfs/dbraw/zinc/13/89/79/1120138979.db2.gz CUZKRDFDTNACPG-JSGCOSHPSA-N 0 1 277.412 3.563 20 0 CHADMN CC[C@H](NCc1nc(C(C)(C)C)co1)C(C)(C)C ZINC000921697913 1120140676 /nfs/dbraw/zinc/14/06/76/1120140676.db2.gz NJYZIWUXJLSMBB-NSHDSACASA-N 0 1 252.402 3.886 20 0 CHADMN CCc1c2cc(C)ccc2oc1[C@H](C)NCc1cncn1C ZINC000353568938 1120140832 /nfs/dbraw/zinc/14/08/32/1120140832.db2.gz QCZISNNJJRVOKP-ZDUSSCGKSA-N 0 1 297.402 3.888 20 0 CHADMN COc1ccccc1CN(C)Cc1cccc(Cl)c1 ZINC000301604602 1120142440 /nfs/dbraw/zinc/14/24/40/1120142440.db2.gz HMRDVGZHUYUZRS-UHFFFAOYSA-N 0 1 275.779 3.981 20 0 CHADMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000111312684 1120144566 /nfs/dbraw/zinc/14/45/66/1120144566.db2.gz QCTYIMGBDKDYFK-INIZCTEOSA-N 0 1 289.400 3.588 20 0 CHADMN CC[C@@H](CN[C@H](C)c1ncc[nH]1)Oc1cccc(Cl)c1 ZINC000353629416 1120148322 /nfs/dbraw/zinc/14/83/22/1120148322.db2.gz FSBFLDUNAXLYCC-YPMHNXCESA-N 0 1 293.798 3.571 20 0 CHADMN Cc1ccc(CNCc2ccc(C)c(C)n2)cc1Cl ZINC000313860320 1120153651 /nfs/dbraw/zinc/15/36/51/1120153651.db2.gz VYAZMMFVMHOWFI-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000023991752 1120156325 /nfs/dbraw/zinc/15/63/25/1120156325.db2.gz DNEPIWFRLBDVJO-AWEZNQCLSA-N 0 1 284.403 3.899 20 0 CHADMN C[C@@H](Cc1ccco1)N[C@H]1COCc2cccc(Cl)c21 ZINC000924608577 1120157167 /nfs/dbraw/zinc/15/71/67/1120157167.db2.gz GIGYMQCMHSSZRT-NHYWBVRUSA-N 0 1 291.778 3.725 20 0 CHADMN COc1nccc(CN[C@H](C)c2cc(C)cc(C)c2)c1F ZINC000892903294 1120157821 /nfs/dbraw/zinc/15/78/21/1120157821.db2.gz PLIHBLBLASGVDY-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN Fc1ccc([C@@H](NCc2nccn2C2CC2)C2CCC2)cc1 ZINC000892903390 1120158385 /nfs/dbraw/zinc/15/83/85/1120158385.db2.gz PSSWAABJKPYZPL-SFHVURJKSA-N 0 1 299.393 3.988 20 0 CHADMN C[C@@H](NCc1cccc(F)c1)c1ccnn1C1CCC1 ZINC000924609324 1120159048 /nfs/dbraw/zinc/15/90/48/1120159048.db2.gz KDEVPBBMSSVIBJ-GFCCVEGCSA-N 0 1 273.355 3.598 20 0 CHADMN CCC[C@H](NCc1cnc(F)cc1C)c1ccccn1 ZINC000892912896 1120160280 /nfs/dbraw/zinc/16/02/80/1120160280.db2.gz YRHIBQCOZCIONQ-AWEZNQCLSA-N 0 1 273.355 3.555 20 0 CHADMN COc1ccccc1-c1ccc(F)c(CN(C)C)c1 ZINC000665199843 1120163548 /nfs/dbraw/zinc/16/35/48/1120163548.db2.gz ZVMQLUWMSLUAFI-UHFFFAOYSA-N 0 1 259.324 3.563 20 0 CHADMN C[C@H](NCc1cccc(F)c1)c1cnn(C2CCC2)c1 ZINC000924610913 1120163872 /nfs/dbraw/zinc/16/38/72/1120163872.db2.gz WHRULLYMNLCXCU-LBPRGKRZSA-N 0 1 273.355 3.598 20 0 CHADMN CCC[C@H](CC)NCc1csc(C(F)(F)F)n1 ZINC000892942001 1120169339 /nfs/dbraw/zinc/16/93/39/1120169339.db2.gz PKWKRJWVQOWTPA-QMMMGPOBSA-N 0 1 266.332 3.830 20 0 CHADMN CCc1ccc([C@H]2C[C@@H](C)CCN2Cc2cnn(C)c2)o1 ZINC000174447769 1120169801 /nfs/dbraw/zinc/16/98/01/1120169801.db2.gz IZMGAKRHWIPSMP-XJKSGUPXSA-N 0 1 287.407 3.549 20 0 CHADMN CC(F)(F)c1ccc(CNCc2ccncc2F)cc1 ZINC000449337491 1128895679 /nfs/dbraw/zinc/89/56/79/1128895679.db2.gz BQBAAPQZIHGWNZ-UHFFFAOYSA-N 0 1 280.293 3.622 20 0 CHADMN CCOc1ccc(F)c(F)c1CN1CC2CCC1CC2 ZINC001143495537 1120170909 /nfs/dbraw/zinc/17/09/09/1120170909.db2.gz NGNOSVRPAOPZPZ-UHFFFAOYSA-N 0 1 281.346 3.738 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cccc(F)c2)nc1C ZINC000314134884 1120171452 /nfs/dbraw/zinc/17/14/52/1120171452.db2.gz IVLXZELYHFRIGH-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1nccc(N2CCOC3(CCCCC3)C2)c1Cl ZINC000497149419 1120172138 /nfs/dbraw/zinc/17/21/38/1120172138.db2.gz RCLZTHJIJGLAII-UHFFFAOYSA-N 0 1 280.799 3.583 20 0 CHADMN N#C[C@@H](C(=O)C1=CCCCCC1)c1cnc2ccccc2n1 ZINC000190988294 1128896011 /nfs/dbraw/zinc/89/60/11/1128896011.db2.gz ZIGUWWZIZODZJO-CQSZACIVSA-N 0 1 291.354 3.697 20 0 CHADMN N#CC(C(=O)C1=CCCCCC1)c1cnc2ccccc2n1 ZINC000190988294 1128896022 /nfs/dbraw/zinc/89/60/22/1128896022.db2.gz ZIGUWWZIZODZJO-CQSZACIVSA-N 0 1 291.354 3.697 20 0 CHADMN COc1ccc(CN[C@H](C)c2cccc(C)c2C)o1 ZINC000892949056 1120176445 /nfs/dbraw/zinc/17/64/45/1120176445.db2.gz JPJMRQLIMDEBHP-CYBMUJFWSA-N 0 1 259.349 3.756 20 0 CHADMN CCCCC[C@@H](NCc1ccn(C)n1)c1ccccc1 ZINC000112478804 1120177462 /nfs/dbraw/zinc/17/74/62/1120177462.db2.gz BNCAYNMOQWQAAN-QGZVFWFLSA-N 0 1 271.408 3.831 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccc(C)c(C)n1)CC2 ZINC000314228959 1120178119 /nfs/dbraw/zinc/17/81/19/1120178119.db2.gz VTFVJKCFDKYSQF-SFHVURJKSA-N 0 1 266.388 3.784 20 0 CHADMN Cc1cccnc1[C@@H](NCc1cnc(F)c(C)c1)C(C)C ZINC000892963271 1120182704 /nfs/dbraw/zinc/18/27/04/1120182704.db2.gz DPGBFFFYYBNTPV-HNNXBMFYSA-N 0 1 287.382 3.719 20 0 CHADMN COc1ccc(CN[C@H](CC2CC2)c2ccccc2)o1 ZINC000892964222 1120183323 /nfs/dbraw/zinc/18/33/23/1120183323.db2.gz ZXAFXGJGDONEMJ-MRXNPFEDSA-N 0 1 271.360 3.919 20 0 CHADMN Cc1oc(C(C)(C)C)cc1CNC(C)(C)c1cnn(C)c1 ZINC000892966132 1120184059 /nfs/dbraw/zinc/18/40/59/1120184059.db2.gz QXUSYPOWBNAHFV-UHFFFAOYSA-N 0 1 289.423 3.644 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NCc1ccc(C(F)(F)F)cc1 ZINC000112837356 1120185876 /nfs/dbraw/zinc/18/58/76/1120185876.db2.gz OIFRMURBSCCYQZ-JTQLQIEISA-N 0 1 297.324 3.598 20 0 CHADMN Cc1cc(CNCc2ccc3c(c2)C[C@@H](C)O3)c(C)o1 ZINC000921741447 1120187855 /nfs/dbraw/zinc/18/78/55/1120187855.db2.gz VPQWUXTYYROFDA-GFCCVEGCSA-N 0 1 271.360 3.510 20 0 CHADMN Cc1nc(C[N@@H+](CCc2ccccc2)C2CCCC2)co1 ZINC000659860376 1120203839 /nfs/dbraw/zinc/20/38/39/1120203839.db2.gz YWEKIERKRKUSPX-UHFFFAOYSA-N 0 1 284.403 3.970 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cccc(Cl)c1 ZINC000073007113 1120206434 /nfs/dbraw/zinc/20/64/34/1120206434.db2.gz BXDUFMHWMKJOOH-VIFPVBQESA-N 0 1 264.756 3.796 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cccc(OC(C)C)c1 ZINC000073007417 1120207503 /nfs/dbraw/zinc/20/75/03/1120207503.db2.gz PWEYRRNASOXKSD-GFCCVEGCSA-N 0 1 288.391 3.929 20 0 CHADMN CCc1cccc(F)c1CNCc1sc(C)nc1C ZINC000354461374 1120209795 /nfs/dbraw/zinc/20/97/95/1120209795.db2.gz ILTJXGIHMVYMGY-UHFFFAOYSA-N 0 1 278.396 3.751 20 0 CHADMN Cc1ccc(CC[C@@H](C)NCc2nc(C(C)(C)C)co2)o1 ZINC000921789202 1120212782 /nfs/dbraw/zinc/21/27/82/1120212782.db2.gz NVXLAARSKKYKMB-GFCCVEGCSA-N 0 1 290.407 3.984 20 0 CHADMN CS[C@@H](C)CN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343848598 1120214796 /nfs/dbraw/zinc/21/47/96/1120214796.db2.gz FKIMOOIOEXIBHS-BQBZGAKWSA-N 0 1 284.372 3.564 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000338726421 1120216413 /nfs/dbraw/zinc/21/64/13/1120216413.db2.gz QNWZQGWJCKLQAS-JSGCOSHPSA-N 0 1 291.345 3.559 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@H](n2cccn2)C1 ZINC000338726421 1120216417 /nfs/dbraw/zinc/21/64/17/1120216417.db2.gz QNWZQGWJCKLQAS-JSGCOSHPSA-N 0 1 291.345 3.559 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000338726425 1120216477 /nfs/dbraw/zinc/21/64/77/1120216477.db2.gz QNWZQGWJCKLQAS-TZMCWYRMSA-N 0 1 291.345 3.559 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCC[C@@H](n2cccn2)C1 ZINC000338726425 1120216479 /nfs/dbraw/zinc/21/64/79/1120216479.db2.gz QNWZQGWJCKLQAS-TZMCWYRMSA-N 0 1 291.345 3.559 20 0 CHADMN CC[C@H](C)[N@@H+](CC)Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903904892 1120217766 /nfs/dbraw/zinc/21/77/66/1120217766.db2.gz PFDONVYVFXFQNZ-QMMMGPOBSA-N 0 1 293.285 3.617 20 0 CHADMN CC[C@H](C)[C@@H](CNCc1nc(C(C)(C)C)cs1)OC ZINC000394460673 1120219906 /nfs/dbraw/zinc/21/99/06/1120219906.db2.gz UTOJBISJSPYMMM-NWDGAFQWSA-N 0 1 284.469 3.591 20 0 CHADMN CS[C@@H]1CCC[C@H](N[C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000921805993 1120221379 /nfs/dbraw/zinc/22/13/79/1120221379.db2.gz UGOBLGBZDSMUIO-SDDRHHMPSA-N 0 1 297.468 3.692 20 0 CHADMN Cc1cc(C)c(NC(=O)Cc2n[nH]c3ccccc23)c(C)c1 ZINC000177729175 1120221848 /nfs/dbraw/zinc/22/18/48/1120221848.db2.gz KNZDBJONMKCASS-UHFFFAOYSA-N 0 1 293.370 3.669 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)N1CCSCC1 ZINC000110427250 1120226089 /nfs/dbraw/zinc/22/60/89/1120226089.db2.gz XLSHOPBHLNCLBV-ZDUSSCGKSA-N 0 1 255.814 3.840 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccnn2C2CCC2)ccc1F ZINC000921820396 1120228038 /nfs/dbraw/zinc/22/80/38/1120228038.db2.gz HRVYYJBIFGMPFY-CYBMUJFWSA-N 0 1 287.382 3.906 20 0 CHADMN Cc1ccccc1-c1noc(CN2C[C@@H](C)C[C@H](C)C2)n1 ZINC000061757727 1120229678 /nfs/dbraw/zinc/22/96/78/1120229678.db2.gz PCDHYAFPHAZWTN-STQMWFEESA-N 0 1 285.391 3.523 20 0 CHADMN CCN(Cc1cn2cccc(C)c2n1)Cc1ccccc1 ZINC000061758163 1120229891 /nfs/dbraw/zinc/22/98/91/1120229891.db2.gz MOLBSGNWNJLCJZ-UHFFFAOYSA-N 0 1 279.387 3.665 20 0 CHADMN Cc1c2cccc(F)c2oc1-c1nc([C@H](N)C(C)C)no1 ZINC000843147819 1120234809 /nfs/dbraw/zinc/23/48/09/1120234809.db2.gz GZMORFQGDABPFB-LLVKDONJSA-N 0 1 289.310 3.586 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2cc3cc(Cl)ccc3[nH]2)n1 ZINC000843147637 1120235298 /nfs/dbraw/zinc/23/52/98/1120235298.db2.gz DFBFQLMVCWTOTB-GFCCVEGCSA-N 0 1 290.754 3.527 20 0 CHADMN COc1ccc(CN[C@@H]2CC(C)(C)c3ccccc32)o1 ZINC000893145019 1120238126 /nfs/dbraw/zinc/23/81/26/1120238126.db2.gz WDFZNYXUQZYAQS-OAHLLOKOSA-N 0 1 271.360 3.800 20 0 CHADMN COc1ccc(CN[C@H]2CC(C)(C)c3ccccc32)o1 ZINC000893145015 1120238153 /nfs/dbraw/zinc/23/81/53/1120238153.db2.gz WDFZNYXUQZYAQS-HNNXBMFYSA-N 0 1 271.360 3.800 20 0 CHADMN Fc1cccc(CN2CCC[C@H]2C2CC2)c1OC(F)F ZINC000659878691 1120242380 /nfs/dbraw/zinc/24/23/80/1120242380.db2.gz PYUCCYCBCHIRDH-ZDUSSCGKSA-N 0 1 285.309 3.802 20 0 CHADMN C[C@@H](N[C@@H]1Cc2cccc(Cl)c2C1)c1cscn1 ZINC001168685684 1120247044 /nfs/dbraw/zinc/24/70/44/1120247044.db2.gz SNLCHQQYRUOASX-MWLCHTKSSA-N 0 1 278.808 3.615 20 0 CHADMN Cc1cc(CNC(=O)c2coc3ccc(C(C)C)cc23)n[nH]1 ZINC000672189243 1120251872 /nfs/dbraw/zinc/25/18/72/1120251872.db2.gz HWQNWHNCIVLGGM-UHFFFAOYSA-N 0 1 297.358 3.518 20 0 CHADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccccc2)cc1 ZINC000387665237 1120254910 /nfs/dbraw/zinc/25/49/10/1120254910.db2.gz BHUJFJWPJBZQTC-UHFFFAOYSA-N 0 1 297.398 3.896 20 0 CHADMN Cc1ccc2c(c1C)OC[C@@H]2N[C@H](C)c1cnccc1C ZINC000271492443 1120255172 /nfs/dbraw/zinc/25/51/72/1120255172.db2.gz PBWYXKZKQFDMNX-PBHICJAKSA-N 0 1 282.387 3.791 20 0 CHADMN C[C@@H](c1ccc(C(C)(C)C)cc1)N(C)Cc1cn[nH]c1 ZINC000085825456 1120257709 /nfs/dbraw/zinc/25/77/09/1120257709.db2.gz VPBSIDHHTHYOJD-ZDUSSCGKSA-N 0 1 271.408 3.900 20 0 CHADMN C[C@H](c1ccc(OC(F)(F)F)cc1)N(C)Cc1cn[nH]c1 ZINC000085825623 1120258360 /nfs/dbraw/zinc/25/83/60/1120258360.db2.gz MEKRXADYHXNHJX-SNVBAGLBSA-N 0 1 299.296 3.501 20 0 CHADMN CN(Cc1nc(-c2ccc(Cl)cc2)no1)CC1CCC1 ZINC000111298064 1120258786 /nfs/dbraw/zinc/25/87/86/1120258786.db2.gz CXKQABZYPPLWDD-UHFFFAOYSA-N 0 1 291.782 3.622 20 0 CHADMN C[C@@H](CO)CN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000678043834 1120262159 /nfs/dbraw/zinc/26/21/59/1120262159.db2.gz FTBOVOWYHYPYAK-QMTHXVAHSA-N 0 1 288.218 3.759 20 0 CHADMN C[C@@H](c1ccncc1)N(C)Cc1ccccc1N1CCCC1 ZINC000075586287 1120262766 /nfs/dbraw/zinc/26/27/66/1120262766.db2.gz KKAIPSOVUPGUNH-INIZCTEOSA-N 0 1 295.430 3.875 20 0 CHADMN CCCC[C@@H]1CCC[C@@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC000075708669 1120265717 /nfs/dbraw/zinc/26/57/17/1120265717.db2.gz VQIXQVIITYKEJC-HIFRSBDPSA-N 0 1 299.418 3.581 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000063517124 1120267425 /nfs/dbraw/zinc/26/74/25/1120267425.db2.gz VPQCWLNBTOJIOQ-HNNXBMFYSA-N 0 1 295.430 3.593 20 0 CHADMN C[C@H]1CCCN(Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000063517124 1120267428 /nfs/dbraw/zinc/26/74/28/1120267428.db2.gz VPQCWLNBTOJIOQ-HNNXBMFYSA-N 0 1 295.430 3.593 20 0 CHADMN CCCCOc1cccc(CN[C@@H](C)c2c[nH]nc2C)c1 ZINC000180145510 1120267433 /nfs/dbraw/zinc/26/74/33/1120267433.db2.gz LTJAGTPDDYUDHW-ZDUSSCGKSA-N 0 1 287.407 3.748 20 0 CHADMN Cc1cc([C@H](C)NCc2nn(C)c3ccccc23)cs1 ZINC000651326092 1120273398 /nfs/dbraw/zinc/27/33/98/1120273398.db2.gz LEGUHBLKUFHJAB-LBPRGKRZSA-N 0 1 285.416 3.794 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCCCCC1 ZINC000008119178 1120276493 /nfs/dbraw/zinc/27/64/93/1120276493.db2.gz GXKCYWFMXPPYEA-ZDUSSCGKSA-N 0 1 294.826 3.851 20 0 CHADMN COc1ccnc(CN(Cc2ccc(C)s2)C(C)C)c1 ZINC000106933711 1120281799 /nfs/dbraw/zinc/28/17/99/1120281799.db2.gz NYSCSGWXDUBKTF-UHFFFAOYSA-N 0 1 290.432 3.871 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2nnc(C3CC3)o2)C1 ZINC000076385221 1120282790 /nfs/dbraw/zinc/28/27/90/1120282790.db2.gz XZEDEFXCUCMCLC-UKRRQHHQSA-N 0 1 297.402 3.633 20 0 CHADMN Cc1ccc([C@@H](C)NCc2nn(C)c3ccccc23)s1 ZINC000112342583 1120283253 /nfs/dbraw/zinc/28/32/53/1120283253.db2.gz HOAKTFCJGQXYOB-GFCCVEGCSA-N 0 1 285.416 3.794 20 0 CHADMN Cc1ccc([C@@H](C)NCc2nn(C)c3ccccc23)cc1 ZINC000112341635 1120283516 /nfs/dbraw/zinc/28/35/16/1120283516.db2.gz YTSXMLNMZIDOCB-CQSZACIVSA-N 0 1 279.387 3.733 20 0 CHADMN CCc1nnc([C@H](C)N2C[C@H](c3ccccc3C)C[C@@H]2C)[nH]1 ZINC000659940956 1120297666 /nfs/dbraw/zinc/29/76/66/1120297666.db2.gz RHCOKVAVZBELKO-SOUVJXGZSA-N 0 1 298.434 3.615 20 0 CHADMN FC(F)(F)CO[C@H]1CCCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000659943436 1120300401 /nfs/dbraw/zinc/30/04/01/1120300401.db2.gz UTEKFVCVBMOQIM-RRFJBIMHSA-N 0 1 299.336 3.586 20 0 CHADMN CCc1nc([C@H](C)NC[C@H]2CC2(Cl)Cl)cs1 ZINC000309456265 1120300878 /nfs/dbraw/zinc/30/08/78/1120300878.db2.gz MNWAWPGSQLHQHN-JGVFFNPUSA-N 0 1 279.236 3.550 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2noc(-c3ccccc3)n2)[C@@H]2CCCC[C@@H]21 ZINC000542969818 1120302509 /nfs/dbraw/zinc/30/25/09/1120302509.db2.gz BUUNMDMLPOYXES-FVQBIDKESA-N 0 1 297.402 3.747 20 0 CHADMN C[C@@H]1CN(Cc2noc(-c3ccccc3)n2)[C@@H]2CCCC[C@@H]21 ZINC000542969818 1120302514 /nfs/dbraw/zinc/30/25/14/1120302514.db2.gz BUUNMDMLPOYXES-FVQBIDKESA-N 0 1 297.402 3.747 20 0 CHADMN CCCN[C@@H](C)c1nc(Cc2ccc(C(C)C)cc2)no1 ZINC000843177009 1120305538 /nfs/dbraw/zinc/30/55/38/1120305538.db2.gz ZZSUESPWYSOHLL-ZDUSSCGKSA-N 0 1 287.407 3.844 20 0 CHADMN CCc1nocc1CN(C)c1cc(C)nc2ccc(F)cc21 ZINC000338782276 1120310352 /nfs/dbraw/zinc/31/03/52/1120310352.db2.gz LMGQQHHCLKWEHR-UHFFFAOYSA-N 0 1 299.349 3.869 20 0 CHADMN C[C@H]1[C@@H](C)N(C(=O)c2cc(C3CCCCC3)[nH]n2)C[C@H]1C ZINC000416315805 1120311315 /nfs/dbraw/zinc/31/13/15/1120311315.db2.gz FPNLPCBJVYTZJB-JHJVBQTASA-N 0 1 289.423 3.574 20 0 CHADMN Cc1cc(Br)cc(CNCc2ccoc2)c1 ZINC000309918482 1120316329 /nfs/dbraw/zinc/31/63/29/1120316329.db2.gz QSTVXWZGWWPWNP-UHFFFAOYSA-N 0 1 280.165 3.640 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2cccc(O)c2Br)C1 ZINC000315999111 1120319295 /nfs/dbraw/zinc/31/92/95/1120319295.db2.gz ZWBLBIGGRQWHFD-QWRGUYRKSA-N 0 1 298.224 3.633 20 0 CHADMN Cc1ccc(C(C)(C)NCc2nccc3c2CCCC3)cn1 ZINC000921996386 1120325451 /nfs/dbraw/zinc/32/54/51/1120325451.db2.gz YJLIPWNMALTRCW-UHFFFAOYSA-N 0 1 295.430 3.689 20 0 CHADMN CC(C)(C)[C@H]1CC[C@H]1Nc1cnn(-c2ccncc2)c1 ZINC000672607203 1120333745 /nfs/dbraw/zinc/33/37/45/1120333745.db2.gz UXLOOAIWUJCJHM-LSDHHAIUSA-N 0 1 270.380 3.504 20 0 CHADMN C[C@@H](CCc1ccccc1F)N[C@@H]1CCCC1(F)F ZINC000672620389 1120334408 /nfs/dbraw/zinc/33/44/08/1120334408.db2.gz MFHCQNWECNQSEU-SMDDNHRTSA-N 0 1 271.326 3.924 20 0 CHADMN C[C@@H](CCc1ccc(F)cc1)N[C@H]1CCCC1(F)F ZINC000672621786 1120336247 /nfs/dbraw/zinc/33/62/47/1120336247.db2.gz JBFGWXZWHKFYIQ-FZMZJTMJSA-N 0 1 271.326 3.924 20 0 CHADMN COc1ccc([C@H](C)[C@H](C)N[C@H]2CCCC2(F)F)cc1 ZINC000672622916 1120337122 /nfs/dbraw/zinc/33/71/22/1120337122.db2.gz YTKYOIZUCAQAKB-XUJVJEKNSA-N 0 1 283.362 3.965 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656761814 1120338478 /nfs/dbraw/zinc/33/84/78/1120338478.db2.gz UQLIDWLZFLGWLC-GXTWGEPZSA-N 0 1 291.391 3.941 20 0 CHADMN CCCCCN(CCCOC)Cc1cccnc1Cl ZINC000183287804 1120338792 /nfs/dbraw/zinc/33/87/92/1120338792.db2.gz PTDHOVYQNRJNSK-UHFFFAOYSA-N 0 1 284.831 3.764 20 0 CHADMN COc1cccc(CN2CCC(C(F)F)CC2)c1Cl ZINC000660012732 1120339891 /nfs/dbraw/zinc/33/98/91/1120339891.db2.gz DBZODMSLONKOKV-UHFFFAOYSA-N 0 1 289.753 3.826 20 0 CHADMN Cc1cccc(CN2CCC[C@@H]3C[C@@H]32)c1Br ZINC001141093303 1120343519 /nfs/dbraw/zinc/34/35/19/1120343519.db2.gz VEYLMNYOUHUBGI-YPMHNXCESA-N 0 1 280.209 3.742 20 0 CHADMN Cc1cnccc1CNCc1ccc(Br)s1 ZINC000129722706 1120345980 /nfs/dbraw/zinc/34/59/80/1120345980.db2.gz DPXRURXSQZCDIS-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN c1csc(-c2ccccc2CN2CCOC3(CC3)C2)c1 ZINC001141097085 1120346393 /nfs/dbraw/zinc/34/63/93/1120346393.db2.gz AIPNMQNPRZJJKK-UHFFFAOYSA-N 0 1 285.412 3.780 20 0 CHADMN Cc1occc1CN(C)CCOc1cc(C)cc(C)c1 ZINC000065603104 1120351375 /nfs/dbraw/zinc/35/13/75/1120351375.db2.gz CRAPCONKABQMFN-UHFFFAOYSA-N 0 1 273.376 3.716 20 0 CHADMN Cn1cnc(CN(Cc2cccc(F)c2)C2CCCC2)c1 ZINC000660044534 1120351938 /nfs/dbraw/zinc/35/19/38/1120351938.db2.gz OAERSLUOFJKEDM-UHFFFAOYSA-N 0 1 287.382 3.504 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cc(C)nc2ccccc12 ZINC000113957762 1120362868 /nfs/dbraw/zinc/36/28/68/1120362868.db2.gz NWRPNJCUCDAPON-GFCCVEGCSA-N 0 1 295.386 3.999 20 0 CHADMN CC[C@H](O)[C@@H]1CCCC[N@H+]1CCc1c(F)cccc1Cl ZINC000511582475 1120370209 /nfs/dbraw/zinc/37/02/09/1120370209.db2.gz TTXOMTQDIAFZKV-HOTGVXAUSA-N 0 1 299.817 3.647 20 0 CHADMN Cc1cc2cc(CNCc3ccnn3C3CCC3)ccc2[nH]1 ZINC000922127078 1120376499 /nfs/dbraw/zinc/37/64/99/1120376499.db2.gz MFOGDJIRKCZSHC-UHFFFAOYSA-N 0 1 294.402 3.688 20 0 CHADMN Cc1cc2cc(CNCc3cnn(C4CCC4)c3)ccc2[nH]1 ZINC000922127851 1120377370 /nfs/dbraw/zinc/37/73/70/1120377370.db2.gz SRXNTMRBLYWCHQ-UHFFFAOYSA-N 0 1 294.402 3.688 20 0 CHADMN COc1ccc(CN[C@@H]2c3ccccc3O[C@H]2C)c(C)c1 ZINC000922134687 1120379408 /nfs/dbraw/zinc/37/94/08/1120379408.db2.gz QWTYYYNRMIPIHR-UGSOOPFHSA-N 0 1 283.371 3.615 20 0 CHADMN CC[C@H]1C[C@H](C)CN1CC(=O)Nc1cc(Cl)ccc1F ZINC000467205999 1120380532 /nfs/dbraw/zinc/38/05/32/1120380532.db2.gz IOGHNBRAOAHZFQ-JQWIXIFHSA-N 0 1 298.789 3.538 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N(C1CC1)C1CCCCC1 ZINC000066320983 1120384353 /nfs/dbraw/zinc/38/43/53/1120384353.db2.gz QMTRJJBMMNZWLV-UHFFFAOYSA-N 0 1 283.375 3.500 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cnc(C)s1 ZINC000114492591 1120384972 /nfs/dbraw/zinc/38/49/72/1120384972.db2.gz FLPFACSUTUYHON-MRXNPFEDSA-N 0 1 272.417 3.961 20 0 CHADMN CCN(C(=O)c1cccc2c[nH]nc21)[C@@H]1CCCC[C@H]1C ZINC000066674897 1120405428 /nfs/dbraw/zinc/40/54/28/1120405428.db2.gz DAKFFXABABLLKD-IUODEOHRSA-N 0 1 285.391 3.604 20 0 CHADMN Clc1cnc(CN[C@@H]2Cc3cccc(Cl)c3C2)s1 ZINC001168704221 1120409153 /nfs/dbraw/zinc/40/91/53/1120409153.db2.gz LQXUKWFMROHDMH-SECBINFHSA-N 0 1 299.226 3.707 20 0 CHADMN Cc1nc2ccc(COc3cccc(C)c3F)cc2[nH]1 ZINC000467209131 1120416204 /nfs/dbraw/zinc/41/62/04/1120416204.db2.gz VVRQYRCCRWYTPP-UHFFFAOYSA-N 0 1 270.307 3.898 20 0 CHADMN COc1cc(CN[C@H](CC(C)C)c2ccccc2)on1 ZINC000660175023 1120416307 /nfs/dbraw/zinc/41/63/07/1120416307.db2.gz VPKDBFYXSWLCKW-OAHLLOKOSA-N 0 1 274.364 3.560 20 0 CHADMN Cc1ccccc1[C@H](C)NCc1cc(C2CC2)no1 ZINC000660175517 1120416511 /nfs/dbraw/zinc/41/65/11/1120416511.db2.gz RSONUGAZEOYTEP-LBPRGKRZSA-N 0 1 256.349 3.711 20 0 CHADMN CCc1nocc1CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000660179940 1120419089 /nfs/dbraw/zinc/41/90/89/1120419089.db2.gz ZZUBSLZGKXKPCM-SNVBAGLBSA-N 0 1 296.317 3.689 20 0 CHADMN CCC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000584726402 1120422878 /nfs/dbraw/zinc/42/28/78/1120422878.db2.gz XPZGKTLZAVONKH-IUODEOHRSA-N 0 1 295.810 3.978 20 0 CHADMN CC[C@H](NC(=O)c1n[nH]c2ccccc21)c1ccc(C)cc1 ZINC000017841793 1120427638 /nfs/dbraw/zinc/42/76/38/1120427638.db2.gz NJWFZQKIVUVRAA-HNNXBMFYSA-N 0 1 293.370 3.752 20 0 CHADMN CC[C@@H](N[C@@H](C)[C@@H]1C[C@H]1c1cccs1)C(F)F ZINC000417347082 1120431314 /nfs/dbraw/zinc/43/13/14/1120431314.db2.gz GJLRAIVSDAUESP-UKKRHICBSA-N 0 1 259.365 3.873 20 0 CHADMN CCCc1nc(CN2CCCCC[C@H]2C[C@H](C)O)cs1 ZINC000253097589 1128915797 /nfs/dbraw/zinc/91/57/97/1128915797.db2.gz RTWJULVRNREAJW-ZFWWWQNUSA-N 0 1 296.480 3.611 20 0 CHADMN COc1cc(CNCc2ccoc2C)cc(Cl)c1OC ZINC000067218118 1120434028 /nfs/dbraw/zinc/43/40/28/1120434028.db2.gz RUPBYGDZLCSSMY-UHFFFAOYSA-N 0 1 295.766 3.548 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1ccc(CC(C)C)nc1 ZINC000893304309 1120441789 /nfs/dbraw/zinc/44/17/89/1120441789.db2.gz LXFQJMSZOKUJEU-OAHLLOKOSA-N 0 1 283.419 3.834 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCO[C@H](Cc2ccccc2)C1 ZINC000660215251 1120447635 /nfs/dbraw/zinc/44/76/35/1120447635.db2.gz OQZHQFOJYMHHNH-GOEBONIOSA-N 0 1 297.389 3.611 20 0 CHADMN C[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)CC1(C)C ZINC000499684558 1120462195 /nfs/dbraw/zinc/46/21/95/1120462195.db2.gz LAIKVEBLQOVUMA-CYBMUJFWSA-N 0 1 297.402 3.585 20 0 CHADMN CCc1nnc([C@@H](C)[N@H+]2CC[C@@H](c3cc(C)cc(C)c3)C2)[nH]1 ZINC000660249235 1120464785 /nfs/dbraw/zinc/46/47/85/1120464785.db2.gz OABYAGFBNNSBJX-HUUCEWRRSA-N 0 1 298.434 3.534 20 0 CHADMN CCc1nnc([C@@H](C)N2CC[C@@H](c3cc(C)cc(C)c3)C2)[nH]1 ZINC000660249235 1120464788 /nfs/dbraw/zinc/46/47/88/1120464788.db2.gz OABYAGFBNNSBJX-HUUCEWRRSA-N 0 1 298.434 3.534 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CCc2ccccc2CC1 ZINC000116300018 1120466922 /nfs/dbraw/zinc/46/69/22/1120466922.db2.gz IURGVFKGEDECPM-CYBMUJFWSA-N 0 1 299.418 3.529 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CCc2ccccc2CC1 ZINC000116300015 1120467150 /nfs/dbraw/zinc/46/71/50/1120467150.db2.gz IURGVFKGEDECPM-ZDUSSCGKSA-N 0 1 299.418 3.529 20 0 CHADMN CC[C@H]1C[C@H](N[C@@H](C)c2ccc(F)cc2Cl)CO1 ZINC000657476656 1120467463 /nfs/dbraw/zinc/46/74/63/1120467463.db2.gz RXKWVWZZLDCQPI-DLOVCJGASA-N 0 1 271.763 3.697 20 0 CHADMN CC[C@H](NC[C@@H](OC)C1CCCCC1)c1nccs1 ZINC000660253271 1120467659 /nfs/dbraw/zinc/46/76/59/1120467659.db2.gz GSSIVZCIJQRTKR-UONOGXRCSA-N 0 1 282.453 3.779 20 0 CHADMN Cc1noc([C@@H](C)NC[C@@H]2CC[C@@H](c3ccccc3)C2)n1 ZINC000660264574 1120474021 /nfs/dbraw/zinc/47/40/21/1120474021.db2.gz XFFLKBKBVDOJAY-XNRPHZJLSA-N 0 1 285.391 3.613 20 0 CHADMN CCN(Cc1csc(CCC(C)C)n1)C[C@H]1CCOC1 ZINC000068412872 1120474397 /nfs/dbraw/zinc/47/43/97/1120474397.db2.gz YYDRJWGVXVXAGT-CQSZACIVSA-N 0 1 296.480 3.590 20 0 CHADMN C[C@@H](NCCC1CCC1)c1nc(C2CCCCC2)no1 ZINC000660270956 1120476751 /nfs/dbraw/zinc/47/67/51/1120476751.db2.gz BEUZSMDDZALTBR-GFCCVEGCSA-N 0 1 277.412 3.958 20 0 CHADMN Cc1cc(CN2CCCC[C@@H]2c2ccc(C)cc2)n(C)n1 ZINC000417766246 1120480454 /nfs/dbraw/zinc/48/04/54/1120480454.db2.gz AFRPGTAGHKLYEA-GOSISDBHSA-N 0 1 283.419 3.764 20 0 CHADMN Cc1cc(CN2CCCCC[C@@H]2c2ccc(C)o2)n(C)n1 ZINC000417797115 1120481653 /nfs/dbraw/zinc/48/16/53/1120481653.db2.gz TYDIFBXMOAWDTI-MRXNPFEDSA-N 0 1 287.407 3.747 20 0 CHADMN Cc1nc(C)c(CN(Cc2ccco2)C2CCCC2)[nH]1 ZINC000929286847 1120485321 /nfs/dbraw/zinc/48/53/21/1120485321.db2.gz WAHQYUUUUCKWPF-UHFFFAOYSA-N 0 1 273.380 3.564 20 0 CHADMN CC(C)c1cccc(CN[C@H](CCO)c2ccco2)c1 ZINC000660296447 1120487225 /nfs/dbraw/zinc/48/72/25/1120487225.db2.gz AKZGRORBSWPDQR-MRXNPFEDSA-N 0 1 273.376 3.616 20 0 CHADMN FC(F)(F)Oc1ccccc1CNCc1ccccc1 ZINC000019899465 1120489192 /nfs/dbraw/zinc/48/91/92/1120489192.db2.gz NKMKRPXBNCUXEP-UHFFFAOYSA-N 0 1 281.277 3.875 20 0 CHADMN CC1(C)CCCC[C@H]1NCc1nnc(C(F)(F)F)s1 ZINC000660305773 1120489528 /nfs/dbraw/zinc/48/95/28/1120489528.db2.gz NDTOPEOOLGAHTR-MRVPVSSYSA-N 0 1 293.358 3.615 20 0 CHADMN C[C@H](NCc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000019943894 1120497526 /nfs/dbraw/zinc/49/75/26/1120497526.db2.gz RVERLHWSZOTPQE-JTQLQIEISA-N 0 1 265.278 3.955 20 0 CHADMN CC(C)[C@H]1CCCCN1Cc1nc(Cc2ccccc2)no1 ZINC000117348799 1120498046 /nfs/dbraw/zinc/49/80/46/1120498046.db2.gz BOOLDXKRUJNZRB-MRXNPFEDSA-N 0 1 299.418 3.671 20 0 CHADMN CC=Cc1ccc(NC(=O)c2cn[nH]c2C(C)C)cc1 ZINC000561648245 1120498404 /nfs/dbraw/zinc/49/84/04/1120498404.db2.gz SDOKAXHSHATAPL-SNAWJCMRSA-N 0 1 269.348 3.819 20 0 CHADMN CCC1(CC)CCN(Cc2nc(C)oc2C)CC1 ZINC000660325244 1120502197 /nfs/dbraw/zinc/50/21/97/1120502197.db2.gz SICBRHVNCVUWNH-UHFFFAOYSA-N 0 1 250.386 3.694 20 0 CHADMN C[C@@H]1CCC[C@H](C(=O)Nc2ccc(CN(C)C)c(F)c2)C1 ZINC000086233777 1120504002 /nfs/dbraw/zinc/50/40/02/1120504002.db2.gz SXLQUPJAGVDTPG-OLZOCXBDSA-N 0 1 292.398 3.652 20 0 CHADMN CN(C)Cc1ccc(NC(=O)CCC(C)(C)C)cc1F ZINC000086236787 1120505951 /nfs/dbraw/zinc/50/59/51/1120505951.db2.gz RTHOHXAQHGWIEE-UHFFFAOYSA-N 0 1 280.387 3.652 20 0 CHADMN Cc1cc([C@@H](N[C@@H](C)c2cn(C)cn2)C2CC2)ccc1F ZINC000925643331 1120506602 /nfs/dbraw/zinc/50/66/02/1120506602.db2.gz IENAREAGSHTGQU-SJCJKPOMSA-N 0 1 287.382 3.670 20 0 CHADMN Cc1ccc([C@@H](N[C@H]2COC(C)(C)C2)c2ccccn2)cc1 ZINC000418028809 1120507918 /nfs/dbraw/zinc/50/79/18/1120507918.db2.gz KWQNNZJKVIPCPE-SJLPKXTDSA-N 0 1 296.414 3.637 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](c2ccccc2)C2CC2)nn1C ZINC000282350715 1120511503 /nfs/dbraw/zinc/51/15/03/1120511503.db2.gz VSJMJCSJRGCSSP-CXAGYDPISA-N 0 1 269.392 3.530 20 0 CHADMN COc1cccc(C)c1CNCc1ccc(O)c(Cl)c1 ZINC000922327292 1120514304 /nfs/dbraw/zinc/51/43/04/1120514304.db2.gz HOXRUCBHWIZQAZ-UHFFFAOYSA-N 0 1 291.778 3.652 20 0 CHADMN CC(C)(C)c1coc(CNCC[C@@H]2CCCC2(F)F)n1 ZINC000922331173 1120515829 /nfs/dbraw/zinc/51/58/29/1120515829.db2.gz CLJWORRJHXKNQH-NSHDSACASA-N 0 1 286.366 3.887 20 0 CHADMN COc1ccc(CNCc2ccc(C)nc2Cl)c(C)c1 ZINC000922333225 1120516547 /nfs/dbraw/zinc/51/65/47/1120516547.db2.gz NINXCCQUYRZPPW-UHFFFAOYSA-N 0 1 290.794 3.650 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccccc1)c1csc(Cl)c1 ZINC000191292001 1120518574 /nfs/dbraw/zinc/51/85/74/1120518574.db2.gz CZTSEUUAUPINRG-ZWNOBZJWSA-N 0 1 281.808 3.786 20 0 CHADMN CCOc1ccc(NC(=O)c2ccc(O)c(Cl)c2)cc1 ZINC000019838027 1120528686 /nfs/dbraw/zinc/52/86/86/1120528686.db2.gz NSHUGSLQSGHEOR-UHFFFAOYSA-N 0 1 291.734 3.697 20 0 CHADMN Cc1cccc(C)c1NC(=O)c1ccc(Cl)cc1O ZINC000019840208 1120530637 /nfs/dbraw/zinc/53/06/37/1120530637.db2.gz IMSJYRSKKKNHNV-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CC[C@@H](C)[C@@H](C)C3)n[nH]2)cc1 ZINC000500208855 1120533159 /nfs/dbraw/zinc/53/31/59/1120533159.db2.gz WLZDIGUGIJHXRU-KGLIPLIRSA-N 0 1 297.402 3.503 20 0 CHADMN COCCN(Cc1cccnc1)Cc1cccc(C(C)C)c1 ZINC000660368901 1120540275 /nfs/dbraw/zinc/54/02/75/1120540275.db2.gz YAOAUOZFIJEDFF-UHFFFAOYSA-N 0 1 298.430 3.854 20 0 CHADMN Cc1cc(CNCc2nccc3c2CCCC3)cs1 ZINC000922463906 1120541112 /nfs/dbraw/zinc/54/11/12/1120541112.db2.gz PCWQVHFQJREDKY-UHFFFAOYSA-N 0 1 272.417 3.620 20 0 CHADMN COc1ccc(CC[C@H](C)N[C@H]2CCCC2(F)F)cc1 ZINC000398001374 1120549231 /nfs/dbraw/zinc/54/92/31/1120549231.db2.gz WGWLUQBEEHCYAW-WFASDCNBSA-N 0 1 283.362 3.794 20 0 CHADMN COc1cccc([C@@H](C)NCc2ccccc2F)c1 ZINC000019950076 1120550266 /nfs/dbraw/zinc/55/02/66/1120550266.db2.gz GOZLCNWCEBXLMR-GFCCVEGCSA-N 0 1 259.324 3.685 20 0 CHADMN Cc1ccc(F)c(CNCc2c(C)cc(CO)cc2C)c1 ZINC000922562330 1120550925 /nfs/dbraw/zinc/55/09/25/1120550925.db2.gz XOORVBAEJAXEAM-UHFFFAOYSA-N 0 1 287.378 3.533 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@@H]2CCCC2(F)F)C12CCCC2 ZINC000398005800 1120552614 /nfs/dbraw/zinc/55/26/14/1120552614.db2.gz QHIFLBSLRPDYKV-JHJVBQTASA-N 0 1 273.367 3.502 20 0 CHADMN c1c2ccccc2[nH]c1CN[C@@H](c1ccccn1)C1CC1 ZINC000922584359 1120554556 /nfs/dbraw/zinc/55/45/56/1120554556.db2.gz IRKPXFDQRIVGOH-GOSISDBHSA-N 0 1 277.371 3.804 20 0 CHADMN COC(C)(C)[C@H](C)NCc1csc(-c2cccs2)n1 ZINC000922580992 1120555136 /nfs/dbraw/zinc/55/51/36/1120555136.db2.gz JLAVSVLLVWPDFT-JTQLQIEISA-N 0 1 296.461 3.775 20 0 CHADMN Cc1cc(CN[C@H](c2ccccn2)C2CC2)cnc1Cl ZINC000922584418 1120555814 /nfs/dbraw/zinc/55/58/14/1120555814.db2.gz KAKCEFNSFRKRHC-HNNXBMFYSA-N 0 1 287.794 3.679 20 0 CHADMN CCOc1cccc(CN[C@H](c2ccccn2)C2CC2)c1 ZINC000922584851 1120557044 /nfs/dbraw/zinc/55/70/44/1120557044.db2.gz BUVUTRYMYODZPO-SFHVURJKSA-N 0 1 282.387 3.721 20 0 CHADMN Clc1ccc(-c2cccc3[nH]nnc32)cc1Cl ZINC001222357309 1120558190 /nfs/dbraw/zinc/55/81/90/1120558190.db2.gz WHDDLOBROCDJBF-UHFFFAOYSA-N 0 1 264.115 3.932 20 0 CHADMN Cc1cnc(CN[C@H](C)COCC2CCCCC2)s1 ZINC000922602070 1120560798 /nfs/dbraw/zinc/56/07/98/1120560798.db2.gz HONVUNADZPAKGS-GFCCVEGCSA-N 0 1 282.453 3.527 20 0 CHADMN Cc1ccccc1[C@H](CC(C)C)NCc1cn(C)cn1 ZINC000673601885 1120569149 /nfs/dbraw/zinc/56/91/49/1120569149.db2.gz CDCHKDGVOFQJLX-KRWDZBQOSA-N 0 1 271.408 3.606 20 0 CHADMN CC(C)(/C=C/Cl)NCc1cnc(C2CC2)s1 ZINC000922647340 1120570179 /nfs/dbraw/zinc/57/01/79/1120570179.db2.gz AOQGDPVZRUYCMG-AATRIKPKSA-N 0 1 256.802 3.641 20 0 CHADMN Cc1ccccc1[C@H](NCc1cn(C)cn1)C(C)(C)C ZINC000673603528 1120570207 /nfs/dbraw/zinc/57/02/07/1120570207.db2.gz QOBYVZPBDXTTKY-INIZCTEOSA-N 0 1 271.408 3.606 20 0 CHADMN CC(C)(/C=C/Cl)NCc1cccc(Cl)c1N ZINC000922646091 1120570640 /nfs/dbraw/zinc/57/06/40/1120570640.db2.gz YDYZVTGWHWFMHQ-VOTSOKGWSA-N 0 1 259.180 3.543 20 0 CHADMN COc1ccccc1[C@H](N[C@@H]1CC[C@@H]1C)c1ccccn1 ZINC000783258877 1120575014 /nfs/dbraw/zinc/57/50/14/1120575014.db2.gz ONTOOMQSNFLSBH-JOQOYGCGSA-N 0 1 282.387 3.568 20 0 CHADMN CCc1cc(CN[C@@H](C)c2ccc(F)cc2Cl)[nH]n1 ZINC000765995785 1120575151 /nfs/dbraw/zinc/57/51/51/1120575151.db2.gz XHRUTHLPTNWVBB-VIFPVBQESA-N 0 1 281.762 3.615 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1cncn1C(C)C ZINC000922668381 1120575574 /nfs/dbraw/zinc/57/55/74/1120575574.db2.gz CYMHKFXKXCVHFG-ZDUSSCGKSA-N 0 1 275.371 3.762 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(C)cn2)cc1C ZINC000922672059 1120575747 /nfs/dbraw/zinc/57/57/47/1120575747.db2.gz KJHJVHFIUBWKBN-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CCc1cc(CN[C@H](C)c2oc3ccccc3c2C)n[nH]1 ZINC000765995338 1120577614 /nfs/dbraw/zinc/57/76/14/1120577614.db2.gz UTPSRLLLZCJUCP-GFCCVEGCSA-N 0 1 283.375 3.878 20 0 CHADMN CCc1cc(CN[C@H](C)c2oc3ccccc3c2C)[nH]n1 ZINC000765995338 1120577618 /nfs/dbraw/zinc/57/76/18/1120577618.db2.gz UTPSRLLLZCJUCP-GFCCVEGCSA-N 0 1 283.375 3.878 20 0 CHADMN Cc1ccsc1[C@@H](Cc1ccccc1)NCc1cc[nH]n1 ZINC000124711403 1120581916 /nfs/dbraw/zinc/58/19/16/1120581916.db2.gz UNBOQKMOMBOSBT-MRXNPFEDSA-N 0 1 297.427 3.853 20 0 CHADMN Cc1ccc(C)c(CN(C)[C@@H](C)c2cnc(C)cn2)c1 ZINC000428961986 1120589071 /nfs/dbraw/zinc/58/90/71/1120589071.db2.gz BFZJQUCAFGSMIG-HNNXBMFYSA-N 0 1 269.392 3.595 20 0 CHADMN CCO[C@@H]1C[C@@H](NCc2nc(C)oc2C)C12CCCCC2 ZINC000660413533 1120589392 /nfs/dbraw/zinc/58/93/92/1120589392.db2.gz RJHDWPJQGDBCKJ-HZPDHXFCSA-N 0 1 292.423 3.509 20 0 CHADMN Fc1ccc2c(c1)CN([C@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168734871 1120598076 /nfs/dbraw/zinc/59/80/76/1120598076.db2.gz MLQWXAVHUMERDG-HNNXBMFYSA-N 0 1 287.765 3.962 20 0 CHADMN CCc1ccc(CN(Cc2ccc(F)cc2)C2CC2)nc1 ZINC000338879842 1120600505 /nfs/dbraw/zinc/60/05/05/1120600505.db2.gz JGPFLJRENQRBOK-UHFFFAOYSA-N 0 1 284.378 3.948 20 0 CHADMN C[C@@H]1CCC[C@H](C)CN1Cc1nc(Cc2ccccc2)no1 ZINC000125192289 1120600681 /nfs/dbraw/zinc/60/06/81/1120600681.db2.gz HWIYFABKMIEFAC-LSDHHAIUSA-N 0 1 299.418 3.671 20 0 CHADMN CCC[C@H](O)CCNCc1csc(-c2cccs2)n1 ZINC000922824931 1120604050 /nfs/dbraw/zinc/60/40/50/1120604050.db2.gz KPBHBNNGLDMSLL-LBPRGKRZSA-N 0 1 296.461 3.512 20 0 CHADMN Clc1csc(CN[C@@H]2CCCc3cccnc32)c1 ZINC000922878450 1120616308 /nfs/dbraw/zinc/61/63/08/1120616308.db2.gz NFLRVTBDGFIWPY-CYBMUJFWSA-N 0 1 278.808 3.964 20 0 CHADMN c1ccc2ncc(CN[C@H]3CCCc4cccnc43)cc2c1 ZINC000922880163 1120617614 /nfs/dbraw/zinc/61/76/14/1120617614.db2.gz GVNNXXDWKNLKJX-SFHVURJKSA-N 0 1 289.382 3.797 20 0 CHADMN CCOCCN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432014563 1120626117 /nfs/dbraw/zinc/62/61/17/1120626117.db2.gz PDTBKLUHOJCXLJ-OAHLLOKOSA-N 0 1 269.335 3.528 20 0 CHADMN COc1cccc(CN2CCCCC[C@H]2c2ccncc2)n1 ZINC000171859463 1128932654 /nfs/dbraw/zinc/93/26/54/1128932654.db2.gz MJYFZURSKOHEAX-KRWDZBQOSA-N 0 1 297.402 3.603 20 0 CHADMN Cc1cccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)c1 ZINC000473134098 1120635159 /nfs/dbraw/zinc/63/51/59/1120635159.db2.gz FKASXNSIMZFFRH-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN CC(C)OCCCN(C)Cc1coc(-c2cccs2)n1 ZINC000265906543 1120635422 /nfs/dbraw/zinc/63/54/22/1120635422.db2.gz WQAFUCZSSSIRQD-UHFFFAOYSA-N 0 1 294.420 3.650 20 0 CHADMN Fc1cccc(Cl)c1CSc1nc(C2CC2)n[nH]1 ZINC000012992208 1120635891 /nfs/dbraw/zinc/63/58/91/1120635891.db2.gz KRUYZSUZNUQPJS-UHFFFAOYSA-N 0 1 283.759 3.767 20 0 CHADMN COc1ccc([C@H](NCc2ccco2)C2CCC2)cc1 ZINC000922889642 1120638942 /nfs/dbraw/zinc/63/89/42/1120638942.db2.gz AWORRALJXXBOSR-QGZVFWFLSA-N 0 1 271.360 3.919 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](c2ccc(F)cc2)C(C)C)n[nH]1 ZINC000660484579 1120639477 /nfs/dbraw/zinc/63/94/77/1120639477.db2.gz ZEOHNOQAWDBASV-XHDPSFHLSA-N 0 1 290.386 3.554 20 0 CHADMN COc1cc(CN2CCC(C)CC2)cc(C(F)(F)F)c1 ZINC001143511806 1120640042 /nfs/dbraw/zinc/64/00/42/1120640042.db2.gz LVPBSQDEJITEAE-UHFFFAOYSA-N 0 1 287.325 3.946 20 0 CHADMN CC(C)(C)CCC[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000302245970 1120640811 /nfs/dbraw/zinc/64/08/11/1120640811.db2.gz ANFGMSOOHZBIQC-CYBMUJFWSA-N 0 1 255.402 3.532 20 0 CHADMN C[C@H]1CCCCCN1Cc1ccncc1Br ZINC000625170041 1120641595 /nfs/dbraw/zinc/64/15/95/1120641595.db2.gz VCHHGAWWIBYQAP-NSHDSACASA-N 0 1 283.213 3.609 20 0 CHADMN CC(C)(NCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000299678620 1120641808 /nfs/dbraw/zinc/64/18/08/1120641808.db2.gz UUQKLLXUNJAFMV-UHFFFAOYSA-N 0 1 288.322 3.759 20 0 CHADMN CC1(C)CCN(Cc2coc(-c3ccccc3F)n2)C1 ZINC000625198560 1120644199 /nfs/dbraw/zinc/64/41/99/1120644199.db2.gz BMZQXYSJSRINAQ-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN COc1ccc(/C=C/c2cccc([C@H]3COCCN3)c2)cc1 ZINC000629730337 1128930472 /nfs/dbraw/zinc/93/04/72/1128930472.db2.gz HFYYSRQZAJTQFJ-ZMBJWTFHSA-N 0 1 295.382 3.527 20 0 CHADMN O=C(Nc1ccccc1)c1cccc(C(F)(F)F)c1O ZINC000149841888 1120648941 /nfs/dbraw/zinc/64/89/41/1120648941.db2.gz OSXLCEACWJWKDT-UHFFFAOYSA-N 0 1 281.233 3.663 20 0 CHADMN CCCc1occc1C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000282420503 1120649561 /nfs/dbraw/zinc/64/95/61/1120649561.db2.gz RFZSIOSBZPYWMI-UHFFFAOYSA-N 0 1 283.331 3.669 20 0 CHADMN COc1cc(CN2C[C@@H](C)CC[C@H]2c2ccccc2)on1 ZINC000660538366 1120652273 /nfs/dbraw/zinc/65/22/73/1120652273.db2.gz GKMSGBWUGUXWDT-BBRMVZONSA-N 0 1 286.375 3.656 20 0 CHADMN CCO[C@@H](CN1CCc2[nH]c3ccc(C)cc3c2C1)C1CC1 ZINC000625242607 1120653455 /nfs/dbraw/zinc/65/34/55/1120653455.db2.gz BDAJHDJKPWGAEK-IBGZPJMESA-N 0 1 298.430 3.650 20 0 CHADMN CO[C@@H](CN1CCCC[C@H]1c1cc[nH]n1)C1CCCCC1 ZINC000660536063 1120653648 /nfs/dbraw/zinc/65/36/48/1120653648.db2.gz NVRAAVMPNJAVFW-IRXDYDNUSA-N 0 1 291.439 3.532 20 0 CHADMN CC[C@H](CC(F)F)CN1CCCC[C@H]1c1nc(C)no1 ZINC000660549687 1120655353 /nfs/dbraw/zinc/65/53/53/1120655353.db2.gz XPAJAAMAUDOQCO-NEPJUHHUSA-N 0 1 287.354 3.586 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3Cc3cncs3)[nH]c2c1 ZINC000660553626 1120656505 /nfs/dbraw/zinc/65/65/05/1120656505.db2.gz VOMLXQXRLFSBHE-OAHLLOKOSA-N 0 1 298.415 3.665 20 0 CHADMN Cc1ccc(-c2ccc([C@@H]3COCCN3)cc2)cc1C ZINC000629733299 1128931325 /nfs/dbraw/zinc/93/13/25/1128931325.db2.gz NGBWWJWIFRXFLS-SFHVURJKSA-N 0 1 267.372 3.631 20 0 CHADMN Fc1cccc(CCN2CC[C@H]2c2ccccc2)c1F ZINC000544143750 1120664880 /nfs/dbraw/zinc/66/48/80/1120664880.db2.gz JCRAGTPBZAKBLJ-INIZCTEOSA-N 0 1 273.326 3.954 20 0 CHADMN C[C@@H](CN(C)Cc1cc(O)ccc1Cl)c1nccs1 ZINC000625311251 1120665741 /nfs/dbraw/zinc/66/57/41/1120665741.db2.gz ARVWJTHGXSRIRU-JTQLQIEISA-N 0 1 296.823 3.738 20 0 CHADMN CCc1ccc(NC(=O)c2c(C)n[nH]c2C(F)(F)F)cc1 ZINC000673731384 1120665886 /nfs/dbraw/zinc/66/58/86/1120665886.db2.gz VGHWTACAIWBNAV-UHFFFAOYSA-N 0 1 297.280 3.552 20 0 CHADMN Cc1nc(C)c(CN2Cc3ccccc3O[C@@H](C)C2)s1 ZINC000429116620 1120667507 /nfs/dbraw/zinc/66/75/07/1120667507.db2.gz NIHKBTANVUMTNM-NSHDSACASA-N 0 1 288.416 3.543 20 0 CHADMN CC(=O)Nc1ccc(CN[C@H](C)c2cc(C)c(C)o2)cc1 ZINC000282439460 1120668759 /nfs/dbraw/zinc/66/87/59/1120668759.db2.gz ZIYQBTOZJACCAJ-GFCCVEGCSA-N 0 1 286.375 3.706 20 0 CHADMN CN(Cc1ccoc1)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929328816 1120678251 /nfs/dbraw/zinc/67/82/51/1120678251.db2.gz YDSFWIMWWOWPFA-HUUCEWRRSA-N 0 1 277.314 3.760 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)N1CCc2nc[nH]c2C1 ZINC000625437770 1120679843 /nfs/dbraw/zinc/67/98/43/1120679843.db2.gz ISJIXQUPRYQZCQ-ZDUSSCGKSA-N 0 1 277.371 3.682 20 0 CHADMN Cn1cccc1[C@H]1CCCN1Cc1cc2cnccc2o1 ZINC000651608733 1120680755 /nfs/dbraw/zinc/68/07/55/1120680755.db2.gz BMRPGYLOUASHOT-MRXNPFEDSA-N 0 1 281.359 3.503 20 0 CHADMN CCO[C@H]1CCN(Cc2nsc3ccccc32)C[C@H]1C ZINC000660720815 1120681005 /nfs/dbraw/zinc/68/10/05/1120681005.db2.gz RZHBNCCKONFABA-DOMZBBRYSA-N 0 1 290.432 3.543 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2c3ccccc3CC[C@H]2C)nn1C ZINC000282451266 1120681741 /nfs/dbraw/zinc/68/17/41/1120681741.db2.gz ZVGWWRMAJSMBMQ-IAISJRAMSA-N 0 1 283.419 3.703 20 0 CHADMN c1c2cnccc2oc1CN1CCC[C@@H]1c1ccccn1 ZINC000651615364 1120681990 /nfs/dbraw/zinc/68/19/90/1120681990.db2.gz QPEWHRLMFZQJJV-MRXNPFEDSA-N 0 1 279.343 3.560 20 0 CHADMN CN(Cc1nc(-c2ccsc2)no1)CC1CCCCC1 ZINC000044000072 1120685494 /nfs/dbraw/zinc/68/54/94/1120685494.db2.gz QHUSCUGXPNYEEC-UHFFFAOYSA-N 0 1 291.420 3.810 20 0 CHADMN CC(C)(C)c1cnc(CN2CC(C)(C)[C@H]3CCC[C@@H]32)o1 ZINC000572546033 1128934160 /nfs/dbraw/zinc/93/41/60/1128934160.db2.gz IXRCSWXGEUCRII-STQMWFEESA-N 0 1 276.424 3.983 20 0 CHADMN c1nc(CN2C[C@@H]3CCCC[C@@H]32)oc1-c1ccccc1 ZINC000660928615 1120705398 /nfs/dbraw/zinc/70/53/98/1120705398.db2.gz QMWLKDVRWBJBKZ-GJZGRUSLSA-N 0 1 268.360 3.716 20 0 CHADMN CC[C@@H](C)[N@@H+](CC)Cc1nc(-c2ccccc2C)no1 ZINC000661106775 1120715854 /nfs/dbraw/zinc/71/58/54/1120715854.db2.gz OWXVIFOARLPIEO-CYBMUJFWSA-N 0 1 273.380 3.665 20 0 CHADMN CC[C@@H](C)N(CC)Cc1nc(-c2ccccc2C)no1 ZINC000661106775 1120715856 /nfs/dbraw/zinc/71/58/56/1120715856.db2.gz OWXVIFOARLPIEO-CYBMUJFWSA-N 0 1 273.380 3.665 20 0 CHADMN CC[C@@H](C)[N@H+](CC)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000661107022 1120718802 /nfs/dbraw/zinc/71/88/02/1120718802.db2.gz KPLWDNNQVRCIRS-LLVKDONJSA-N 0 1 299.374 3.702 20 0 CHADMN CC[C@@H](C)[N@@H+](CC)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000661107022 1120718808 /nfs/dbraw/zinc/71/88/08/1120718808.db2.gz KPLWDNNQVRCIRS-LLVKDONJSA-N 0 1 299.374 3.702 20 0 CHADMN Cc1cc(CN(Cc2ccsc2)C(C)(C)C)nc(C)n1 ZINC000661132833 1120723132 /nfs/dbraw/zinc/72/31/32/1120723132.db2.gz BLVHXCLBSWBHFP-UHFFFAOYSA-N 0 1 289.448 3.956 20 0 CHADMN CC(C)(C)[N@@H+](Cc1ccsc1)Cc1ccccn1 ZINC000661135609 1120724074 /nfs/dbraw/zinc/72/40/74/1120724074.db2.gz IHCJFBAQJBUMAV-UHFFFAOYSA-N 0 1 260.406 3.944 20 0 CHADMN CC(C)(C)N(Cc1ccsc1)Cc1ccccn1 ZINC000661135609 1120724077 /nfs/dbraw/zinc/72/40/77/1120724077.db2.gz IHCJFBAQJBUMAV-UHFFFAOYSA-N 0 1 260.406 3.944 20 0 CHADMN CCc1nnc([C@@H](C)N[C@@H]2CCCC23CCCCC3)o1 ZINC000661127307 1120724358 /nfs/dbraw/zinc/72/43/58/1120724358.db2.gz DRWKSPYQHCCAAN-CHWSQXEVSA-N 0 1 277.412 3.786 20 0 CHADMN Cc1nsc(C)c1CN1CCC(c2ccco2)CC1 ZINC000661161042 1120728782 /nfs/dbraw/zinc/72/87/82/1120728782.db2.gz KALBPPWYRYCUSU-UHFFFAOYSA-N 0 1 276.405 3.733 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N1N=C2[C@H](C)CC[C@@H]2C1=O ZINC000634601101 1128936600 /nfs/dbraw/zinc/93/66/00/1128936600.db2.gz CRGVQJDVWCFIDL-BREBYQMCSA-N 0 1 276.767 3.645 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)n1[nH]c2c(c1=O)CC[C@H]2C ZINC000634601101 1128936603 /nfs/dbraw/zinc/93/66/03/1128936603.db2.gz CRGVQJDVWCFIDL-BREBYQMCSA-N 0 1 276.767 3.645 20 0 CHADMN C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1cc2cnccc2o1 ZINC000651758318 1120735980 /nfs/dbraw/zinc/73/59/80/1120735980.db2.gz WRWVZAOVLBBSNF-PWSUYJOCSA-N 0 1 298.308 3.991 20 0 CHADMN COc1ccc(CN(C)C[C@H](C)c2nccs2)c(F)c1 ZINC000651760053 1120737164 /nfs/dbraw/zinc/73/71/64/1120737164.db2.gz NHRQEZPCFZWAOO-NSHDSACASA-N 0 1 294.395 3.526 20 0 CHADMN C[C@@]1(Cc2ccccc2Cl)CCC[N@@H+]1Cc1c[nH]cn1 ZINC000661210718 1120738106 /nfs/dbraw/zinc/73/81/06/1120738106.db2.gz NZCRCUAVEUFEIE-INIZCTEOSA-N 0 1 289.810 3.660 20 0 CHADMN C[C@@]1(Cc2ccccc2Cl)CCCN1Cc1c[nH]cn1 ZINC000661210718 1120738112 /nfs/dbraw/zinc/73/81/12/1120738112.db2.gz NZCRCUAVEUFEIE-INIZCTEOSA-N 0 1 289.810 3.660 20 0 CHADMN C[C@]1(Cc2ccccc2Cl)CCC[N@@H+]1Cc1c[nH]cn1 ZINC000661210720 1120738480 /nfs/dbraw/zinc/73/84/80/1120738480.db2.gz NZCRCUAVEUFEIE-MRXNPFEDSA-N 0 1 289.810 3.660 20 0 CHADMN C[C@]1(Cc2ccccc2Cl)CCCN1Cc1c[nH]cn1 ZINC000661210720 1120738488 /nfs/dbraw/zinc/73/84/88/1120738488.db2.gz NZCRCUAVEUFEIE-MRXNPFEDSA-N 0 1 289.810 3.660 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1nc(CCC(C)C)no1 ZINC000661234626 1120742542 /nfs/dbraw/zinc/74/25/42/1120742542.db2.gz OGBCDLRCXNOEAV-LBPRGKRZSA-N 0 1 267.417 3.573 20 0 CHADMN C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1cc2cnccc2o1 ZINC000651821200 1120754206 /nfs/dbraw/zinc/75/42/06/1120754206.db2.gz HGDWEKNQBPEGAO-ZYHUDNBSSA-N 0 1 298.308 3.991 20 0 CHADMN c1nc2c(ncnc2NC2c3ccccc3-c3ccccc32)[nH]1 ZINC001167777791 1120756370 /nfs/dbraw/zinc/75/63/70/1120756370.db2.gz LYNMOVAAHFEVSV-UHFFFAOYSA-N 0 1 299.337 3.535 20 0 CHADMN C[C@H](NCCCOc1ccc(Cl)cc1)c1cscn1 ZINC000661419946 1120763884 /nfs/dbraw/zinc/76/38/84/1120763884.db2.gz GQUVIWFHPAQHGR-NSHDSACASA-N 0 1 296.823 3.916 20 0 CHADMN Cc1cc(C)n(CCN2CC3(CCCC3)[C@H]2c2ccco2)n1 ZINC000661435537 1120766365 /nfs/dbraw/zinc/76/63/65/1120766365.db2.gz OPLYPVWSKLGXFO-QGZVFWFLSA-N 0 1 299.418 3.710 20 0 CHADMN OCc1ccc(CN2CC3(CCCC3)[C@@H]2c2ccco2)cc1 ZINC000661435460 1120766614 /nfs/dbraw/zinc/76/66/14/1120766614.db2.gz HLKCOIMDRHOLSQ-SFHVURJKSA-N 0 1 297.398 3.889 20 0 CHADMN CC(C)Cc1ncc(CN2CCC[C@@H](OC(C)C)C2)s1 ZINC000651898083 1120771825 /nfs/dbraw/zinc/77/18/25/1120771825.db2.gz SVWAOBZTGUIKCZ-CQSZACIVSA-N 0 1 296.480 3.731 20 0 CHADMN Fc1ccc([C@H]2CCN2CCc2noc3ccccc32)cc1 ZINC000661509452 1120774339 /nfs/dbraw/zinc/77/43/39/1120774339.db2.gz QQHQVYURDSBYFT-QGZVFWFLSA-N 0 1 296.345 3.956 20 0 CHADMN Cc1ccc(C)c(OCC[N@H+](C)[C@@H](C)c2cccnc2)c1 ZINC000093226751 1128939644 /nfs/dbraw/zinc/93/96/44/1128939644.db2.gz IFROIUKMOADAHL-INIZCTEOSA-N 0 1 284.403 3.770 20 0 CHADMN C/C=C/C[C@H]1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000629873913 1128940027 /nfs/dbraw/zinc/94/00/27/1128940027.db2.gz RRBHFNSYXBVXFH-GJBLVYBDSA-N 0 1 289.423 3.660 20 0 CHADMN CC(C)c1nnc(CN2CC[C@H](C3CCCCC3)C2)o1 ZINC000661586878 1120782645 /nfs/dbraw/zinc/78/26/45/1120782645.db2.gz VONZAZMFFWUNBY-AWEZNQCLSA-N 0 1 277.412 3.595 20 0 CHADMN CC[C@@H]1CN(Cc2cc(C)c3ncccc3c2)[C@H](C)CO1 ZINC000651931534 1120784464 /nfs/dbraw/zinc/78/44/64/1120784464.db2.gz VIJKRNAMKWMHMT-RHSMWYFYSA-N 0 1 284.403 3.543 20 0 CHADMN CC1(C)C[C@@H](NCC2(F)CC2)c2cc(F)ccc2O1 ZINC000651949443 1120790404 /nfs/dbraw/zinc/79/04/04/1120790404.db2.gz LONFHGPGEZUVAK-GFCCVEGCSA-N 0 1 267.319 3.520 20 0 CHADMN CCC1(CC)CCCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000661675007 1120792868 /nfs/dbraw/zinc/79/28/68/1120792868.db2.gz QMBCOSNLCNUNMH-UHFFFAOYSA-N 0 1 289.379 3.732 20 0 CHADMN FCC[C@@H]1CCCN(Cc2csc(-c3ccoc3)n2)C1 ZINC000661692588 1120796216 /nfs/dbraw/zinc/79/62/16/1120796216.db2.gz HERWQQMHGZYBDS-LBPRGKRZSA-N 0 1 294.395 3.975 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1C[C@H]2COC[C@@]2(C)C1 ZINC000661698641 1120797395 /nfs/dbraw/zinc/79/73/95/1120797395.db2.gz GOUSVGGFOVWJIJ-IFUGULHKSA-N 0 1 283.774 3.508 20 0 CHADMN FCC[C@H]1CCCN(Cc2ncc(-c3cccs3)o2)C1 ZINC000661693696 1120797410 /nfs/dbraw/zinc/79/74/10/1120797410.db2.gz RZVFNULUVJFSEQ-GFCCVEGCSA-N 0 1 294.395 3.975 20 0 CHADMN CC[C@H](N[C@H](c1ccccc1F)[C@H](C)O)c1ccccc1 ZINC000652230608 1120801668 /nfs/dbraw/zinc/80/16/68/1120801668.db2.gz QQVAXYXJKUNUAG-KKXDTOCCSA-N 0 1 287.378 3.989 20 0 CHADMN Cc1cccc(NC(=O)c2cc(F)cc3[nH]cnc32)c1C ZINC000048244244 1120805963 /nfs/dbraw/zinc/80/59/63/1120805963.db2.gz PMOAZUBBJYIFSI-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN CCCC[C@@H](CC)CCCN(C)C(=O)c1cnccc1N ZINC000663001152 1120815268 /nfs/dbraw/zinc/81/52/68/1120815268.db2.gz PRGFJEGCUCUYMQ-CQSZACIVSA-N 0 1 291.439 3.563 20 0 CHADMN C[C@H](NC1(c2ccc(C(F)(F)F)cc2)CC1)c1cn[nH]c1 ZINC000652329076 1120828006 /nfs/dbraw/zinc/82/80/06/1120828006.db2.gz JKELDOMKUZRBFU-JTQLQIEISA-N 0 1 295.308 3.768 20 0 CHADMN Fc1cc(F)cc(CN2CCC([C@H]3CCCCO3)CC2)c1 ZINC000661868376 1120829639 /nfs/dbraw/zinc/82/96/39/1120829639.db2.gz RCWQLZSCVLZBMV-QGZVFWFLSA-N 0 1 295.373 3.746 20 0 CHADMN CN(CC(=O)Nc1cccc(-c2ccccc2)c1)C1CCC1 ZINC000629991981 1128943570 /nfs/dbraw/zinc/94/35/70/1128943570.db2.gz LGAGPZPKJYQKEW-UHFFFAOYSA-N 0 1 294.398 3.776 20 0 CHADMN CCN1CCC[C@@H](O[C@@](F)(Cl)c2ccccc2)C1 ZINC001222957806 1120843816 /nfs/dbraw/zinc/84/38/16/1120843816.db2.gz OIRFIQLOTIIZBB-ZIAGYGMSSA-N 0 1 271.763 3.506 20 0 CHADMN Cc1oc([C@H](C)[N@@H+](C)Cc2ccc(C)cc2)cc1C(=O)[O-] ZINC000652372820 1120844630 /nfs/dbraw/zinc/84/46/30/1120844630.db2.gz RDLOLDWDHDVOIF-LBPRGKRZSA-N 0 1 287.359 3.788 20 0 CHADMN C[C@H](NC(=O)c1ccc(Cl)c(O)c1)[C@H]1CCC[C@@H](C)C1 ZINC001626588281 1120845862 /nfs/dbraw/zinc/84/58/62/1120845862.db2.gz COTWGRBNOISGEY-WOPDTQHZSA-N 0 1 295.810 3.990 20 0 CHADMN Cc1ccc(-c2nc(CN3CC[C@H]4C[C@H]4C3)cs2)cc1 ZINC000661973040 1120849264 /nfs/dbraw/zinc/84/92/64/1120849264.db2.gz GHWGCMGYCBVFRO-GJZGRUSLSA-N 0 1 284.428 3.960 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000652384160 1120850426 /nfs/dbraw/zinc/85/04/26/1120850426.db2.gz RHBQXACQRNGBKK-KRWDZBQOSA-N 0 1 281.355 3.722 20 0 CHADMN CSCc1ccc(CN(C)Cc2ccccn2)cc1 ZINC000893540991 1120853376 /nfs/dbraw/zinc/85/33/76/1120853376.db2.gz OJZDGLXLEKIWMJ-UHFFFAOYSA-N 0 1 272.417 3.577 20 0 CHADMN CCCCc1noc([C@H](C)N[C@H](C)C2CCC(F)CC2)n1 ZINC000661999835 1120855374 /nfs/dbraw/zinc/85/53/74/1120855374.db2.gz IFEMUCDXYOQMDV-KBHBFKLGSA-N 0 1 297.418 3.980 20 0 CHADMN COc1cc(C)ccc1NC(=O)c1ccc(O)c(Cl)c1 ZINC000049345959 1120857104 /nfs/dbraw/zinc/85/71/04/1120857104.db2.gz LWXZFRYULRFQEX-UHFFFAOYSA-N 0 1 291.734 3.615 20 0 CHADMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1csc(C(=O)[O-])c1)C1CC1 ZINC000652410304 1120857556 /nfs/dbraw/zinc/85/75/56/1120857556.db2.gz XRVNBXGIXVDOLB-MNOVXSKESA-N 0 1 281.421 3.845 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000652435420 1120862200 /nfs/dbraw/zinc/86/22/00/1120862200.db2.gz HEAZWSMXYHNIPR-MRXNPFEDSA-N 0 1 289.419 3.596 20 0 CHADMN c1ccc(C2CC2)c(CNCc2cccc3c2OCO3)c1 ZINC000094357773 1120864005 /nfs/dbraw/zinc/86/40/05/1120864005.db2.gz XDAUYKOHXKZAIS-UHFFFAOYSA-N 0 1 281.355 3.583 20 0 CHADMN O=C([O-])CC[N@@H+](C/C=C\c1ccc(Cl)cc1)CC1CC1 ZINC000652467264 1120868532 /nfs/dbraw/zinc/86/85/32/1120868532.db2.gz QYXYUQRRIRZRPL-UPHRSURJSA-N 0 1 293.794 3.540 20 0 CHADMN CC(C)[C@H](NCc1cnccn1)c1ccc(Cl)cc1 ZINC000054765980 1120870708 /nfs/dbraw/zinc/87/07/08/1120870708.db2.gz ABERSEJFLCSBIV-HNNXBMFYSA-N 0 1 275.783 3.617 20 0 CHADMN CC[C@H](c1ccccc1)N(Cc1ccn(C)n1)C(C)C ZINC000662107448 1120876821 /nfs/dbraw/zinc/87/68/21/1120876821.db2.gz QWQXZJXADZLPBH-QGZVFWFLSA-N 0 1 271.408 3.782 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1nnc(-c2ccccc2)s1 ZINC000662129940 1120881885 /nfs/dbraw/zinc/88/18/85/1120881885.db2.gz ONGYCCORTOMTNP-LQDVMPOASA-N 0 1 299.443 3.968 20 0 CHADMN Cc1ccc(C)c(CNc2ccc(F)c(-c3nc[nH]n3)c2)c1 ZINC000630059562 1128946899 /nfs/dbraw/zinc/94/68/99/1128946899.db2.gz VPHGFGYMCBVUFF-UHFFFAOYSA-N 0 1 296.349 3.840 20 0 CHADMN CCCCC[C@H]1CCCCN1Cc1ncc(C)cn1 ZINC000662157252 1120888940 /nfs/dbraw/zinc/88/89/40/1120888940.db2.gz VFBVCVIMZSUYKJ-HNNXBMFYSA-N 0 1 261.413 3.720 20 0 CHADMN Cc1ccc(CNc2ccc(F)c(-c3nc[nH]n3)c2)c(C)c1 ZINC000630059264 1128947165 /nfs/dbraw/zinc/94/71/65/1128947165.db2.gz HISVLDZGCWEZJW-UHFFFAOYSA-N 0 1 296.349 3.840 20 0 CHADMN c1ccc(-c2nc(CN(CCC3CC3)CC3CC3)no2)cc1 ZINC000662180590 1120891598 /nfs/dbraw/zinc/89/15/98/1120891598.db2.gz ORVJNNCMCSAZBZ-UHFFFAOYSA-N 0 1 297.402 3.749 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@H]2CCCC23CC3)c1Cl ZINC000623826280 1120892512 /nfs/dbraw/zinc/89/25/12/1120892512.db2.gz YOPGNKHDBDMXGB-GFCCVEGCSA-N 0 1 265.784 3.716 20 0 CHADMN CCc1nnc(SCc2cccc(C(C)C)c2)[nH]1 ZINC000663239228 1120896842 /nfs/dbraw/zinc/89/68/42/1120896842.db2.gz HRIXMKVGGXSQPW-UHFFFAOYSA-N 0 1 261.394 3.783 20 0 CHADMN CCc1n[nH]c(SCc2cccc(C(C)C)c2)n1 ZINC000663239228 1120896844 /nfs/dbraw/zinc/89/68/44/1120896844.db2.gz HRIXMKVGGXSQPW-UHFFFAOYSA-N 0 1 261.394 3.783 20 0 CHADMN CC(C)c1noc([C@H](C)N(C)C[C@H]2CCc3ccccc32)n1 ZINC000662199361 1120896852 /nfs/dbraw/zinc/89/68/52/1120896852.db2.gz ONCFHPXEOBJYKH-DZGCQCFKSA-N 0 1 299.418 3.916 20 0 CHADMN C(c1nc(C2CC2)no1)N1CCC[C@H](C2CCCCC2)C1 ZINC000662200565 1120897530 /nfs/dbraw/zinc/89/75/30/1120897530.db2.gz GQNWCKULMBOSEE-HNNXBMFYSA-N 0 1 289.423 3.739 20 0 CHADMN NC1(c2noc([C@H]3CCC[C@@H]3Cc3ccccc3)n2)CCC1 ZINC000663250160 1120899540 /nfs/dbraw/zinc/89/95/40/1120899540.db2.gz CRWKRYYZPZDVLP-CABCVRRESA-N 0 1 297.402 3.534 20 0 CHADMN c1cc(-c2nc([C@H]3CCCN3)no2)cc(C2CCCC2)c1 ZINC000663251100 1120900281 /nfs/dbraw/zinc/90/02/81/1120900281.db2.gz JAYGLUSRJNUWTG-OAHLLOKOSA-N 0 1 283.375 3.819 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1CC(=O)N(c1ccccc1)C(C)C ZINC000301607201 1120902150 /nfs/dbraw/zinc/90/21/50/1120902150.db2.gz XOCFXGZQLQAFMT-MRXNPFEDSA-N 0 1 288.435 3.693 20 0 CHADMN c1ncc(CN2CCC3(C=Cc4ccccc4O3)CC2)s1 ZINC000662216741 1120904920 /nfs/dbraw/zinc/90/49/20/1120904920.db2.gz WMFGSNHLZCAYCV-UHFFFAOYSA-N 0 1 298.411 3.584 20 0 CHADMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cccc(C(C)(C)C)c1 ZINC000662221475 1120905387 /nfs/dbraw/zinc/90/53/87/1120905387.db2.gz ACVWDBBXENGXMW-UHFFFAOYSA-N 0 1 291.435 3.917 20 0 CHADMN CC(C)c1cccc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1 ZINC000662225040 1120905609 /nfs/dbraw/zinc/90/56/09/1120905609.db2.gz SBGSJEUNBFACTK-UHFFFAOYSA-N 0 1 277.408 3.743 20 0 CHADMN C[N@@H+](CC1=CCSC1)Cc1ccc(Br)cc1 ZINC000662265437 1120913461 /nfs/dbraw/zinc/91/34/61/1120913461.db2.gz ALHYVQFLIPZBKM-UHFFFAOYSA-N 0 1 298.249 3.554 20 0 CHADMN COc1cc2ccnc(N3CCCC[C@H]3C)c2cc1OC ZINC000663316878 1120922984 /nfs/dbraw/zinc/92/29/84/1120922984.db2.gz GVUGFFBYWXIYPO-GFCCVEGCSA-N 0 1 286.375 3.631 20 0 CHADMN Cc1cc(-c2nnc(CN3[C@H](C)CCC[C@H]3C)o2)c(C)o1 ZINC000161639527 1120923705 /nfs/dbraw/zinc/92/37/05/1120923705.db2.gz ZPZJTJLTZRRWOY-GHMZBOCLSA-N 0 1 289.379 3.709 20 0 CHADMN COc1ccc(CN[C@@]2(c3ccccc3)CC2(C)C)nc1 ZINC000662341148 1120928276 /nfs/dbraw/zinc/92/82/76/1120928276.db2.gz QGMZYGQLOAUBRF-GOSISDBHSA-N 0 1 282.387 3.505 20 0 CHADMN COc1ncccc1CN[C@]1(c2ccccc2)CC1(C)C ZINC000662339644 1120928659 /nfs/dbraw/zinc/92/86/59/1120928659.db2.gz BELFAESEJVGDMT-SFHVURJKSA-N 0 1 282.387 3.505 20 0 CHADMN C[C@@H](c1nc(Cc2ccccc2)no1)N(C)C[C@@H]1CC1(C)C ZINC000662344761 1120929032 /nfs/dbraw/zinc/92/90/32/1120929032.db2.gz DQJSVOYDLYEMOR-ZFWWWQNUSA-N 0 1 299.418 3.699 20 0 CHADMN CN(Cc1coc(-c2cccs2)n1)C[C@@H]1CC1(C)C ZINC000662347856 1120929568 /nfs/dbraw/zinc/92/95/68/1120929568.db2.gz OAQPEQGHOTYBSI-NSHDSACASA-N 0 1 276.405 3.881 20 0 CHADMN COc1ccncc1CNCc1cccc(C(C)C)c1 ZINC000663326525 1120931749 /nfs/dbraw/zinc/93/17/49/1120931749.db2.gz TUGBGEFZOQMFET-UHFFFAOYSA-N 0 1 270.376 3.503 20 0 CHADMN Cc1cc(F)ncc1CN1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000893570435 1120934611 /nfs/dbraw/zinc/93/46/11/1120934611.db2.gz DWAHFNRYPQJDSA-BLLLJJGKSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1cc(F)ncc1CN1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000893570438 1120934965 /nfs/dbraw/zinc/93/49/65/1120934965.db2.gz DWAHFNRYPQJDSA-MLGOLLRUSA-N 0 1 285.366 3.507 20 0 CHADMN CCCn1cc(CN[C@]2(c3ccccc3)CC2(C)C)cn1 ZINC000663338480 1120938422 /nfs/dbraw/zinc/93/84/22/1120938422.db2.gz QZZGALXTPJDZRZ-SFHVURJKSA-N 0 1 283.419 3.708 20 0 CHADMN CC1(C)C[C@@]1(NCc1cccc(O)c1)c1ccccc1 ZINC000663338976 1120938959 /nfs/dbraw/zinc/93/89/59/1120938959.db2.gz ZJQQPWVGJXEWGW-GOSISDBHSA-N 0 1 267.372 3.807 20 0 CHADMN CC(C)c1nc(CN2CCCCC[C@H]2C[C@H](C)O)cs1 ZINC000228480992 1120951302 /nfs/dbraw/zinc/95/13/02/1120951302.db2.gz AKLJGBRTWRMJRK-ZFWWWQNUSA-N 0 1 296.480 3.782 20 0 CHADMN CN(Cc1cnn(C)c1)Cc1cccc(-c2ccsc2)c1 ZINC001141377737 1120952562 /nfs/dbraw/zinc/95/25/62/1120952562.db2.gz ZHBZVDHILQPUBH-UHFFFAOYSA-N 0 1 297.427 3.781 20 0 CHADMN C[C@@H]1CCN(Cc2cc(C(C)(C)C)on2)C[C@@H](C)C1 ZINC000554936154 1128951892 /nfs/dbraw/zinc/95/18/92/1128951892.db2.gz OJRUHGIOYWSRMJ-OLZOCXBDSA-N 0 1 264.413 3.840 20 0 CHADMN CCCc1nc(C)c(C(=O)Nc2cccc(Cl)c2O)o1 ZINC000343915744 1120963023 /nfs/dbraw/zinc/96/30/23/1120963023.db2.gz KIEBLQOJLCVIDS-UHFFFAOYSA-N 0 1 294.738 3.547 20 0 CHADMN CC1(C)CCCN1Cc1ccc(F)c(Br)c1 ZINC000063063716 1120964094 /nfs/dbraw/zinc/96/40/94/1120964094.db2.gz FYTWIMJKTZOSKU-UHFFFAOYSA-N 0 1 286.188 3.963 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCCCC[C@@H]2C)n1 ZINC000603942328 1120972456 /nfs/dbraw/zinc/97/24/56/1120972456.db2.gz AAMIVRLBQWIHDF-AWEZNQCLSA-N 0 1 285.391 3.810 20 0 CHADMN CCOC[C@H]1CCCN(Cc2cc(Cl)ccc2F)C1 ZINC000093419338 1128954091 /nfs/dbraw/zinc/95/40/91/1128954091.db2.gz PWXBSXVCJFTTQU-LBPRGKRZSA-N 0 1 285.790 3.728 20 0 CHADMN O=C(Nc1ccc(F)c(C2CC2)c1)c1cccc2cn[nH]c21 ZINC000343932661 1120975822 /nfs/dbraw/zinc/97/58/22/1120975822.db2.gz ABSSUPMVWWTPQI-UHFFFAOYSA-N 0 1 295.317 3.832 20 0 CHADMN COc1cncc(CN[C@H](C)c2ccccc2SC)c1 ZINC000343940676 1120982502 /nfs/dbraw/zinc/98/25/02/1120982502.db2.gz NQUMIUVXCXKDPF-GFCCVEGCSA-N 0 1 288.416 3.663 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCCCCC(=O)[O-] ZINC000071286995 1120985880 /nfs/dbraw/zinc/98/58/80/1120985880.db2.gz GANXJBYHULMZKD-GFCCVEGCSA-N 0 1 283.799 3.978 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2nccnc2C)s1 ZINC000219109679 1120993275 /nfs/dbraw/zinc/99/32/75/1120993275.db2.gz BLYIDZIFYXMNGG-ZYHUDNBSSA-N 0 1 261.394 3.567 20 0 CHADMN Cn1nc(CNC(C)(C)c2ccccc2)c2ccccc21 ZINC000314324388 1121005808 /nfs/dbraw/zinc/00/58/08/1121005808.db2.gz CKTXHHUFYUNNRN-UHFFFAOYSA-N 0 1 279.387 3.598 20 0 CHADMN COC(=O)[C@H]1CC[C@H](Nc2nccc3cc(C)ccc32)CC1 ZINC001167828099 1121005984 /nfs/dbraw/zinc/00/59/84/1121005984.db2.gz KZOBCJZLEXXPHI-CTYIDZIISA-N 0 1 298.386 3.687 20 0 CHADMN c1ccc2c(c1)CCC[C@H]2NCc1cnc2ccccc2n1 ZINC000315536721 1121015047 /nfs/dbraw/zinc/01/50/47/1121015047.db2.gz VYAQBADFWWLVQY-QGZVFWFLSA-N 0 1 289.382 3.797 20 0 CHADMN CCN(CCOc1ccccc1C)Cc1oc(C)nc1C ZINC000643254762 1121017551 /nfs/dbraw/zinc/01/75/51/1121017551.db2.gz HUBSBRAXLYWNAC-UHFFFAOYSA-N 0 1 288.391 3.501 20 0 CHADMN CC=Nc1cc(-c2cccc(C(F)(F)F)c2)no1 ZINC001174780332 1121029309 /nfs/dbraw/zinc/02/93/09/1121029309.db2.gz RKNAGXQNQLDQCF-UHFFFAOYSA-N 0 1 254.211 3.916 20 0 CHADMN CCCCC[C@H]1CCCCN1[C@@H](C)C(=O)OCCC ZINC001174780273 1121029653 /nfs/dbraw/zinc/02/96/53/1121029653.db2.gz OCAKCWTWOKKZGN-GJZGRUSLSA-N 0 1 269.429 3.763 20 0 CHADMN Cc1ccoc1CN1CCC[C@H]1c1cccc(C)n1 ZINC000093453518 1128958346 /nfs/dbraw/zinc/95/83/46/1128958346.db2.gz NMJKRSKPTWQFEQ-HNNXBMFYSA-N 0 1 256.349 3.629 20 0 CHADMN CCOc1cccc(CN2CCc3ccc(OC)cc3C2)c1 ZINC000512059559 1121046317 /nfs/dbraw/zinc/04/63/17/1121046317.db2.gz RLZWIGTWRORFSY-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN C[C@@H]1CN(CCC(=O)c2ccc(F)cc2)C[C@H](C)C1(F)F ZINC000625652117 1121046660 /nfs/dbraw/zinc/04/66/60/1121046660.db2.gz AVLIGHINGFUMKD-TXEJJXNPSA-N 0 1 299.336 3.622 20 0 CHADMN Fc1ccc([C@H]2CCCN(Cc3cncs3)C2)cc1F ZINC000625656109 1121048404 /nfs/dbraw/zinc/04/84/04/1121048404.db2.gz SNRWDNRISOLZGH-LBPRGKRZSA-N 0 1 294.370 3.801 20 0 CHADMN CCc1nc(CN2C[C@@H](C)CC(C)(C)C2)cs1 ZINC000344019768 1121057099 /nfs/dbraw/zinc/05/70/99/1121057099.db2.gz GAODILDYYCFIQT-NSHDSACASA-N 0 1 252.427 3.574 20 0 CHADMN CN(Cc1csc(N(C)C2CC2)n1)C[C@@H]1CC=CCC1 ZINC000344028968 1121059970 /nfs/dbraw/zinc/05/99/70/1121059970.db2.gz AGWPDSLRFSODHF-CYBMUJFWSA-N 0 1 291.464 3.530 20 0 CHADMN C[C@H](NCc1ccccn1)c1ccc(Br)s1 ZINC000038001793 1121091876 /nfs/dbraw/zinc/09/18/76/1121091876.db2.gz JHSHKQJPDOLUDM-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN CC(C)c1noc([C@H](C)N(C)C[C@@H]2CC=CCC2)n1 ZINC000344045582 1121064630 /nfs/dbraw/zinc/06/46/30/1121064630.db2.gz JWGIMJHZLHFIKO-QWHCGFSZSA-N 0 1 263.385 3.542 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)C[C@@H]1CC=CCC1 ZINC000344050631 1121066991 /nfs/dbraw/zinc/06/69/91/1121066991.db2.gz HRPQUSLRINQISR-ZIAGYGMSSA-N 0 1 297.402 3.685 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2sccc21)c1ccn(C)n1 ZINC000344097620 1121079117 /nfs/dbraw/zinc/07/91/17/1121079117.db2.gz CFJHZEQOOUSKFZ-CHWSQXEVSA-N 0 1 275.421 3.600 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)C3CCCC3)n2)cc1 ZINC000674092441 1121084378 /nfs/dbraw/zinc/08/43/78/1121084378.db2.gz NFFZGKJUFMTFOA-LBPRGKRZSA-N 0 1 298.390 3.545 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cc(C)oc1C ZINC000773425641 1121092981 /nfs/dbraw/zinc/09/29/81/1121092981.db2.gz ACMIQICFGXHDGZ-LBPRGKRZSA-N 0 1 258.365 3.705 20 0 CHADMN COCc1cccc(CNCc2ccc([C@H]3C[C@@H]3C)o2)c1 ZINC000038010432 1121093966 /nfs/dbraw/zinc/09/39/66/1121093966.db2.gz QWUNANCOHZRJMR-GUYCJALGSA-N 0 1 285.387 3.839 20 0 CHADMN FC[C@H]1CCCN1Cc1ccccc1N1CCCCC1 ZINC001138608047 1128964627 /nfs/dbraw/zinc/96/46/27/1128964627.db2.gz WNMOLFMRXKWCAV-MRXNPFEDSA-N 0 1 276.399 3.611 20 0 CHADMN C[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1cccnc1 ZINC000167974208 1121114227 /nfs/dbraw/zinc/11/42/27/1121114227.db2.gz VRANURDXDJYXAR-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN Cn1cncc1Nc1ccc(F)c(OCc2ccccc2)c1 ZINC001174989931 1121120055 /nfs/dbraw/zinc/12/00/55/1121120055.db2.gz PNRNDCWQRUYIHH-UHFFFAOYSA-N 0 1 297.333 3.882 20 0 CHADMN COc1c(C)cc(Nc2ccnn2-c2ccncc2)cc1C ZINC001174998281 1121125396 /nfs/dbraw/zinc/12/53/96/1121125396.db2.gz QKOGUXVZVGLDGU-UHFFFAOYSA-N 0 1 294.358 3.636 20 0 CHADMN COc1cc(Nc2c(C)nc3ccc(F)cn32)ccc1C ZINC001175017008 1121135697 /nfs/dbraw/zinc/13/56/97/1121135697.db2.gz YJKDIOLZTVOGLK-UHFFFAOYSA-N 0 1 285.322 3.842 20 0 CHADMN CC[C@@H](C)CN(C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000171949344 1121135702 /nfs/dbraw/zinc/13/57/02/1121135702.db2.gz AEGRYMSEHSTRNC-GFCCVEGCSA-N 0 1 276.355 3.959 20 0 CHADMN Clc1cc(-c2nc([C@H]3CCCN3)no2)c(Cl)s1 ZINC000225425113 1121137554 /nfs/dbraw/zinc/13/75/54/1121137554.db2.gz ZRNQWJONSVUIJZ-ZCFIWIBFSA-N 0 1 290.175 3.529 20 0 CHADMN CCCCO[C@@H]1C[C@H](NCc2nc(C)sc2C)C1(C)C ZINC000344298382 1121137632 /nfs/dbraw/zinc/13/76/32/1121137632.db2.gz NUVHDABYQAPCFA-LSDHHAIUSA-N 0 1 296.480 3.833 20 0 CHADMN C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(N(C)C)cc1 ZINC000090117605 1121141718 /nfs/dbraw/zinc/14/17/18/1121141718.db2.gz KAQWMLDZKIXDJI-CYBMUJFWSA-N 0 1 297.377 3.614 20 0 CHADMN Oc1ccc2c(c1)CN(CCCCc1ccccc1)C2 ZINC000625727719 1121143789 /nfs/dbraw/zinc/14/37/89/1121143789.db2.gz IZHRZMVRXKGSAX-UHFFFAOYSA-N 0 1 267.372 3.731 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1CCCCC[C@H]1C ZINC000512182100 1121144618 /nfs/dbraw/zinc/14/46/18/1121144618.db2.gz IRWJJQOYQZMGEZ-CYBMUJFWSA-N 0 1 294.826 3.851 20 0 CHADMN COc1ccc([C@H](C)CN2Cc3ccc(O)cc3C2)cc1 ZINC000625728230 1121145625 /nfs/dbraw/zinc/14/56/25/1121145625.db2.gz AOOWONOILNHWKV-CYBMUJFWSA-N 0 1 283.371 3.520 20 0 CHADMN Cn1cncc1Nc1ccc(-c2ccccc2)cc1F ZINC001175062287 1121145969 /nfs/dbraw/zinc/14/59/69/1121145969.db2.gz ZLFVTVYRGBZYPT-UHFFFAOYSA-N 0 1 267.307 3.970 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CCCCC[C@@H]1C ZINC000512185418 1121151252 /nfs/dbraw/zinc/15/12/52/1121151252.db2.gz XZGBUEHDEPBISJ-ZDUSSCGKSA-N 0 1 289.398 3.960 20 0 CHADMN CCOC1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000172528629 1121154760 /nfs/dbraw/zinc/15/47/60/1121154760.db2.gz YYONXYDXZZTGKF-INIZCTEOSA-N 0 1 283.362 3.917 20 0 CHADMN Cc1ccc(C[C@@H](C)N(C)Cc2ccn(C(C)C)n2)cc1 ZINC000172573504 1121156300 /nfs/dbraw/zinc/15/63/00/1121156300.db2.gz HWVFLUDVPVYNKL-MRXNPFEDSA-N 0 1 285.435 3.835 20 0 CHADMN Cc1ccc(CN[C@@H](c2cnn(C)c2)C(C)C)c(Cl)c1 ZINC000922893070 1121157327 /nfs/dbraw/zinc/15/73/27/1121157327.db2.gz HWSUXZWEDKORCY-MRXNPFEDSA-N 0 1 291.826 3.869 20 0 CHADMN CCOc1cc(Nc2cc(C)cc(C)n2)ccc1F ZINC001175047503 1121158604 /nfs/dbraw/zinc/15/86/04/1121158604.db2.gz HVZSUZDPRRLXMU-UHFFFAOYSA-N 0 1 260.312 3.980 20 0 CHADMN CC(C)C1(CN[C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000674650404 1121162056 /nfs/dbraw/zinc/16/20/56/1121162056.db2.gz WUGHSQBZUZWDJW-AWEZNQCLSA-N 0 1 299.418 3.747 20 0 CHADMN C/C=C\C[C@H]1CCCN(Cc2cncc(Cl)c2)C1 ZINC001175053029 1121162653 /nfs/dbraw/zinc/16/26/53/1121162653.db2.gz LCXYJPQZAZPGPM-ZRMMWKCHSA-N 0 1 264.800 3.913 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@@H]1CCCc2ccc(O)cc21 ZINC000235517241 1121166163 /nfs/dbraw/zinc/16/61/63/1121166163.db2.gz ZCPZXWHKRXYHEW-MGPLVRAMSA-N 0 1 286.375 3.725 20 0 CHADMN Fc1cc(CN2CCOC[C@H](C3CCC3)C2)ccc1Cl ZINC000429239240 1121170233 /nfs/dbraw/zinc/17/02/33/1121170233.db2.gz PVZPFPKFMXDCEK-CQSZACIVSA-N 0 1 297.801 3.728 20 0 CHADMN FC(F)(F)c1ccc2oc(CN3CC[C@H]4C[C@H]4C3)nc2c1 ZINC000661969422 1121175011 /nfs/dbraw/zinc/17/50/11/1121175011.db2.gz BRAAJNVCTAXJRK-UWVGGRQHSA-N 0 1 296.292 3.688 20 0 CHADMN CN(Cc1sccc1Br)CC1CCC1 ZINC000061481479 1121178214 /nfs/dbraw/zinc/17/82/14/1121178214.db2.gz NSQFPJVHXAGGRA-UHFFFAOYSA-N 0 1 274.227 3.743 20 0 CHADMN CC(C)SCCNCc1ccsc1Br ZINC000388390333 1121180833 /nfs/dbraw/zinc/18/08/33/1121180833.db2.gz BGXKOENMNOKJPU-UHFFFAOYSA-N 0 1 294.283 3.742 20 0 CHADMN Cc1ccc(CN[C@H](C)c2sc(C)nc2C)o1 ZINC000040445831 1121182677 /nfs/dbraw/zinc/18/26/77/1121182677.db2.gz IBPRWZNYPDJUQK-SECBINFHSA-N 0 1 250.367 3.512 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cc3ccccc3o2)cn1 ZINC000062050637 1121185482 /nfs/dbraw/zinc/18/54/82/1121185482.db2.gz XWNNPXZIVYVNDH-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN CCOc1ccc(CN2CCC[C@H]2c2ccc(O)cc2)nc1 ZINC000674860915 1121188784 /nfs/dbraw/zinc/18/87/84/1121188784.db2.gz GYTRRNSQPSYCHP-SFHVURJKSA-N 0 1 298.386 3.523 20 0 CHADMN C[C@H]1CO[C@H](c2ccccc2)CN1CCCOC(C)(C)C ZINC000674906632 1121195748 /nfs/dbraw/zinc/19/57/48/1121195748.db2.gz IIYNFVYSWQNWCG-RDJZCZTQSA-N 0 1 291.435 3.654 20 0 CHADMN Fc1ccc2oc(CN3C4CCCC3CCC4)nc2c1 ZINC000674909786 1121197070 /nfs/dbraw/zinc/19/70/70/1121197070.db2.gz UTDKEMFXOISUDM-UHFFFAOYSA-N 0 1 274.339 3.874 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1ccnn1C)c1ccccc1F ZINC000658169101 1121200838 /nfs/dbraw/zinc/20/08/38/1121200838.db2.gz ZCURAVNJURAAOZ-BLLLJJGKSA-N 0 1 275.371 3.607 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(OC(C)C)c(C)c1 ZINC001175192546 1121203643 /nfs/dbraw/zinc/20/36/43/1121203643.db2.gz PWJIVPOHLWVLTB-UHFFFAOYSA-N 0 1 259.353 3.568 20 0 CHADMN C[C@@H](NCc1cccc(C2CC2)c1)c1ccccn1 ZINC000094517984 1121209125 /nfs/dbraw/zinc/20/91/25/1121209125.db2.gz YLGOSLFKRPAHJO-CYBMUJFWSA-N 0 1 252.361 3.810 20 0 CHADMN Cc1ccc(CN[C@H]2COc3c2cccc3Cl)cc1 ZINC000675103133 1121216695 /nfs/dbraw/zinc/21/66/95/1121216695.db2.gz JNXAPEYVBQLUHA-HNNXBMFYSA-N 0 1 273.763 3.872 20 0 CHADMN C[C@@H](NCCc1ccoc1)c1nc(C(F)(F)F)cs1 ZINC000658199465 1121219564 /nfs/dbraw/zinc/21/95/64/1121219564.db2.gz KPFVUGFTPKRJLL-MRVPVSSYSA-N 0 1 290.310 3.648 20 0 CHADMN Cc1cnc(CN[C@@H](C)Cc2ccc(C(C)C)cc2)o1 ZINC000638801741 1121221895 /nfs/dbraw/zinc/22/18/95/1121221895.db2.gz FMPLAHDCOPLJBE-ZDUSSCGKSA-N 0 1 272.392 3.827 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC[C@H](C)C1 ZINC000008142620 1121235127 /nfs/dbraw/zinc/23/51/27/1121235127.db2.gz UVKSEKHFHHXPBY-AAEUAGOBSA-N 0 1 294.826 3.707 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H]1CCc2ccc(O)cc21 ZINC000658237239 1121241303 /nfs/dbraw/zinc/24/13/03/1121241303.db2.gz DCUFFURUHJJNAV-YVEFUNNKSA-N 0 1 283.371 3.739 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000094904689 1121243263 /nfs/dbraw/zinc/24/32/63/1121243263.db2.gz OOACNWPYFCVZDC-QGZVFWFLSA-N 0 1 289.419 3.714 20 0 CHADMN Cc1ccc([C@H](C)NCc2cnn3ccccc23)cc1F ZINC000094952395 1121246949 /nfs/dbraw/zinc/24/69/49/1121246949.db2.gz NWNLOBXXJVUZON-ZDUSSCGKSA-N 0 1 283.350 3.633 20 0 CHADMN Cc1nc(CN[C@@H]2CCCc3ccccc32)sc1C ZINC000094965476 1121247011 /nfs/dbraw/zinc/24/70/11/1121247011.db2.gz CDTVSTDNNFCRRM-OAHLLOKOSA-N 0 1 272.417 3.927 20 0 CHADMN COc1ccc(CNC[C@@H](c2ccccc2)C(F)(F)F)o1 ZINC000893702413 1121250613 /nfs/dbraw/zinc/25/06/13/1121250613.db2.gz UOPANSJMGLSDOY-ZDUSSCGKSA-N 0 1 299.292 3.724 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@@H]1CC12CCC2 ZINC000675320516 1121251007 /nfs/dbraw/zinc/25/10/07/1121251007.db2.gz LKAHDPUKKHJPNQ-ZDUSSCGKSA-N 0 1 295.386 3.959 20 0 CHADMN CC[C@H]1C[C@]1(NCc1cccc(OC)n1)c1cccc(C)c1 ZINC000500514693 1121294013 /nfs/dbraw/zinc/29/40/13/1121294013.db2.gz PUZGTAVBHXTUJT-HNAYVOBHSA-N 0 1 296.414 3.814 20 0 CHADMN CN(Cc1csc(Cl)c1Cl)C[C@@H]1CCOC1 ZINC000432723604 1121297612 /nfs/dbraw/zinc/29/76/12/1121297612.db2.gz VEOSLRZHURNKHN-QMMMGPOBSA-N 0 1 280.220 3.523 20 0 CHADMN CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cccc2ccccc21 ZINC000675459232 1121303199 /nfs/dbraw/zinc/30/31/99/1121303199.db2.gz OXFWGZPHTCHTHP-YOEHRIQHSA-N 0 1 269.388 3.839 20 0 CHADMN C[C@H]1CCCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000432739825 1121305843 /nfs/dbraw/zinc/30/58/43/1121305843.db2.gz SWSRZMGNSMYRAK-VIFPVBQESA-N 0 1 263.328 3.999 20 0 CHADMN COc1ccccc1CCCN1CCn2cccc2[C@H]1C ZINC000182384618 1121307829 /nfs/dbraw/zinc/30/78/29/1121307829.db2.gz MBQWSKCCPZGAPD-OAHLLOKOSA-N 0 1 284.403 3.506 20 0 CHADMN C[C@H](N[C@H](CCO)c1cccs1)c1cc(F)ccc1F ZINC000766138876 1121308556 /nfs/dbraw/zinc/30/85/56/1121308556.db2.gz ZOQWQLSODJKKKA-IINYFYTJSA-N 0 1 297.370 3.801 20 0 CHADMN Nc1nc2ccccc2n1-c1ccc(F)c(F)c1Cl ZINC001215400038 1121309133 /nfs/dbraw/zinc/30/91/33/1121309133.db2.gz ZWJXOXSFOUTNPO-UHFFFAOYSA-N 0 1 279.677 3.539 20 0 CHADMN COc1ccccc1[C@@H]1CN(CCC(C)(C)C)CCO1 ZINC001175427670 1121320766 /nfs/dbraw/zinc/32/07/66/1121320766.db2.gz QNVKLYRPICULLN-INIZCTEOSA-N 0 1 277.408 3.505 20 0 CHADMN CCCc1cc(C(=O)N2CCCC[C@@H]2CCC(C)C)n[nH]1 ZINC000675514941 1121321221 /nfs/dbraw/zinc/32/12/21/1121321221.db2.gz VPPRQPOBAWGIKM-OAHLLOKOSA-N 0 1 291.439 3.793 20 0 CHADMN COc1ccccc1[C@@H]1CN([C@@H](C)CC(C)C)CCO1 ZINC001175426201 1121321705 /nfs/dbraw/zinc/32/17/05/1121321705.db2.gz GUANQYGHCSDSMR-YOEHRIQHSA-N 0 1 277.408 3.503 20 0 CHADMN Cc1cc(Nc2cccc3cnn(C)c32)c2ccccc2n1 ZINC001175439750 1121326100 /nfs/dbraw/zinc/32/61/00/1121326100.db2.gz CRZWDMPXCGFIAG-UHFFFAOYSA-N 0 1 288.354 3.595 20 0 CHADMN CCCCC[C@H]1CCCCN1Cc1nnc(C)n1C1CC1 ZINC000662153222 1121328170 /nfs/dbraw/zinc/32/81/70/1121328170.db2.gz BFOIRWCJEUGDEH-HNNXBMFYSA-N 0 1 290.455 3.856 20 0 CHADMN Fc1cccc(CN2CC[C@@H]3CSC[C@@H]3C2)c1Cl ZINC001175444655 1121328678 /nfs/dbraw/zinc/32/86/78/1121328678.db2.gz MEBAGVFECDZRFS-NEPJUHHUSA-N 0 1 285.815 3.664 20 0 CHADMN Cc1c2c[nH]nc2ccc1-n1ccc2cc(N)c(F)cc21 ZINC001175470140 1121333621 /nfs/dbraw/zinc/33/36/21/1121333621.db2.gz BEUIVLUGIJNHLN-UHFFFAOYSA-N 0 1 280.306 3.537 20 0 CHADMN C[C@@H]1CC[C@H](N(C)Cc2ccn(C3CCCC3)n2)C1 ZINC000429579744 1121339066 /nfs/dbraw/zinc/33/90/66/1121339066.db2.gz RMWUMRWIMKMPAF-CJNGLKHVSA-N 0 1 261.413 3.619 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](C)c1ccccc1N(C)C ZINC000093947029 1128978826 /nfs/dbraw/zinc/97/88/26/1128978826.db2.gz SWSKTONVUQGNHQ-HNNXBMFYSA-N 0 1 298.430 3.920 20 0 CHADMN COc1ncc(CN2CCC[C@@H]2c2cccc(C)c2)s1 ZINC001139815113 1121344660 /nfs/dbraw/zinc/34/46/60/1121344660.db2.gz WGXRBHGPUYHXHH-OAHLLOKOSA-N 0 1 288.416 3.797 20 0 CHADMN COCc1ccc(CNC2(c3ccc(F)cc3)CCC2)o1 ZINC000675762375 1121351091 /nfs/dbraw/zinc/35/10/91/1121351091.db2.gz QWVYCMBADXKOGH-UHFFFAOYSA-N 0 1 289.350 3.734 20 0 CHADMN Cc1ncc(NC2=CCN(Cc3ccccc3)CC2)s1 ZINC001175505600 1121351078 /nfs/dbraw/zinc/35/10/78/1121351078.db2.gz VJGSBISTXSWPLA-UHFFFAOYSA-N 0 1 285.416 3.653 20 0 CHADMN Cc1cc(-n2ccc3c2c(N)ccc3F)cc2cn[nH]c21 ZINC001175521041 1121360987 /nfs/dbraw/zinc/36/09/87/1121360987.db2.gz GZUNXVCXVYJPDH-UHFFFAOYSA-N 0 1 280.306 3.537 20 0 CHADMN Cc1cc2ccc(N)cc2n1-c1cc2cn[nH]c2c(C)c1 ZINC001175521796 1121361942 /nfs/dbraw/zinc/36/19/42/1121361942.db2.gz WWASJZSCKMLZCR-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(C2CC2)nc1 ZINC001175523474 1121361960 /nfs/dbraw/zinc/36/19/60/1121361960.db2.gz HOFBXQOIQYKFRD-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(F)cnc1Cl ZINC001175523770 1121362078 /nfs/dbraw/zinc/36/20/78/1121362078.db2.gz MHBVKOPBXOILRA-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cnc(Cl)c(F)c1 ZINC001175523485 1121362291 /nfs/dbraw/zinc/36/22/91/1121362291.db2.gz HWNGZHQPLRHMRH-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cc3ccccc3[nH]1)CCO2 ZINC000675789647 1121362696 /nfs/dbraw/zinc/36/26/96/1121362696.db2.gz FTGYIFNKTACCMX-QGZVFWFLSA-N 0 1 296.345 3.920 20 0 CHADMN COc1cc(Nc2c3cn[nH]c3ccc2C)cnc1Cl ZINC001175523401 1121363098 /nfs/dbraw/zinc/36/30/98/1121363098.db2.gz JGGUSZVHCICFTJ-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cnn(C(C)(C)C)c1 ZINC001175524434 1121363358 /nfs/dbraw/zinc/36/33/58/1121363358.db2.gz CHHYPPGLLCWWHC-UHFFFAOYSA-N 0 1 269.352 3.566 20 0 CHADMN Cc1occc1CNc1cc(C)nc2ccc(F)cc21 ZINC000675789498 1121363584 /nfs/dbraw/zinc/36/35/84/1121363584.db2.gz CJEJHSFEXNZCIS-UHFFFAOYSA-N 0 1 270.307 3.618 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2c(c1)COC2 ZINC001175525746 1121364379 /nfs/dbraw/zinc/36/43/79/1121364379.db2.gz IAFBNGQUVYTTHH-UHFFFAOYSA-N 0 1 265.316 3.645 20 0 CHADMN CCCc1ccnc(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175525682 1121365508 /nfs/dbraw/zinc/36/55/08/1121365508.db2.gz GBELLYAGFNADMA-UHFFFAOYSA-N 0 1 266.348 3.962 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1scnc1C1CC1 ZINC001175525946 1121366128 /nfs/dbraw/zinc/36/61/28/1121366128.db2.gz KZWSYZDDMRDZCN-UHFFFAOYSA-N 0 1 270.361 3.949 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(O)cc1C ZINC001175526753 1121367259 /nfs/dbraw/zinc/36/72/59/1121367259.db2.gz RWPBJZUWNGGQDV-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COc1cc(C)c(Nc2c3cn[nH]c3ccc2C)cc1OC ZINC001175526682 1121367644 /nfs/dbraw/zinc/36/76/44/1121367644.db2.gz ZIHSJYJGZAJXGM-UHFFFAOYSA-N 0 1 297.358 3.941 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cnc(Cl)cc1C ZINC001175526038 1121367871 /nfs/dbraw/zinc/36/78/71/1121367871.db2.gz RPNAGSZNJAMPJF-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(C(F)F)cn1 ZINC001175526610 1121368285 /nfs/dbraw/zinc/36/82/85/1121368285.db2.gz VGVJJBXWIYHRSU-UHFFFAOYSA-N 0 1 274.274 3.948 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1c(F)cc(O)cc1F ZINC001175526945 1121368374 /nfs/dbraw/zinc/36/83/74/1121368374.db2.gz CWAOSOBQPGFQCA-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1c(O)cccc1Cl ZINC001175526832 1121368683 /nfs/dbraw/zinc/36/86/83/1121368683.db2.gz WQHGPMBTRGXMOX-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc(O)c1Cl ZINC001175526894 1121368959 /nfs/dbraw/zinc/36/89/59/1121368959.db2.gz ZVTNQUMPEOTWAR-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2nn(C)cc21 ZINC001175526793 1121369301 /nfs/dbraw/zinc/36/93/01/1121369301.db2.gz UNLOIAWBJWBZLQ-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2ncn(C)c21 ZINC001175527807 1121369996 /nfs/dbraw/zinc/36/99/96/1121369996.db2.gz WTCSPSCKMQDONZ-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN C=CC(=O)Nc1cccc(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175527502 1121370823 /nfs/dbraw/zinc/37/08/23/1121370823.db2.gz LLPZUELPRBKFDB-UHFFFAOYSA-N 0 1 292.342 3.739 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2ncncc2c1 ZINC001175527208 1121371452 /nfs/dbraw/zinc/37/14/52/1121371452.db2.gz HMKPMBPOULBFDY-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN CSc1cccc(N[C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000675859123 1121375283 /nfs/dbraw/zinc/37/52/83/1121375283.db2.gz HFSSNOXGKFSFQJ-OAHLLOKOSA-N 0 1 296.399 3.728 20 0 CHADMN COCc1ccc(CN2CC[C@@H]2c2ccccc2)s1 ZINC001139828966 1121376957 /nfs/dbraw/zinc/37/69/57/1121376957.db2.gz ZYNDYIQHFQVLLK-MRXNPFEDSA-N 0 1 273.401 3.842 20 0 CHADMN CC[C@H](N[C@H]1CCOc2c(OC)cccc21)c1ccncc1 ZINC000675900799 1121378011 /nfs/dbraw/zinc/37/80/11/1121378011.db2.gz PAHOGWSDOWKMAZ-HOTGVXAUSA-N 0 1 298.386 3.655 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@@H](C)c1ccc2c(c1)COC2 ZINC000675895005 1121378077 /nfs/dbraw/zinc/37/80/77/1121378077.db2.gz ITDJIGYKOQZIDS-QWRGUYRKSA-N 0 1 286.375 3.733 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@H](C)c1c(C)noc1C ZINC000675896107 1121378503 /nfs/dbraw/zinc/37/85/03/1121378503.db2.gz QTWRUPAHWVXHLY-MEBBXXQBSA-N 0 1 286.375 3.638 20 0 CHADMN CC[C@H](N[C@@H]1COc2c1cccc2Cl)c1ccncc1 ZINC000675900642 1121380361 /nfs/dbraw/zinc/38/03/61/1121380361.db2.gz GHDAVQOJXUXZNV-LSDHHAIUSA-N 0 1 288.778 3.909 20 0 CHADMN C[C@H]1C[C@@H](Nc2cnn(-c3ccncc3)c2)c2ccccc21 ZINC000675905705 1121386843 /nfs/dbraw/zinc/38/68/43/1121386843.db2.gz DASJEHUBZJHDGN-SCLBCKFNSA-N 0 1 290.370 3.928 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2NCc1ccc(C(F)F)nc1 ZINC000631054818 1128982117 /nfs/dbraw/zinc/98/21/17/1128982117.db2.gz WKUOMLRUKTZTNI-CQSZACIVSA-N 0 1 292.304 3.935 20 0 CHADMN CC(C)(C)C=CNc1ccc(CCN2CCOCC2)cc1 ZINC001175571245 1121391163 /nfs/dbraw/zinc/39/11/63/1121391163.db2.gz OGZZWBAXCQAINO-MDZDMXLPSA-N 0 1 288.435 3.533 20 0 CHADMN CC[C@H]1CCC[N@H+]1Cc1cc(OC)ccc1Br ZINC000087797733 1121391342 /nfs/dbraw/zinc/39/13/42/1121391342.db2.gz DXTJCXRJORUZQR-LBPRGKRZSA-N 0 1 298.224 3.832 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1ccc(C(F)F)nc1 ZINC000631054847 1128982288 /nfs/dbraw/zinc/98/22/88/1128982288.db2.gz XPSLKQKBUIBQOM-CQSZACIVSA-N 0 1 292.304 3.935 20 0 CHADMN C[C@H]1CN(CC2(C)CCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000432828526 1121393408 /nfs/dbraw/zinc/39/34/08/1121393408.db2.gz KYADRXOUAVCERF-BBRMVZONSA-N 0 1 277.383 3.778 20 0 CHADMN CN1CCC=C(Nc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC001175575446 1121393636 /nfs/dbraw/zinc/39/36/36/1121393636.db2.gz VQRXRAUHTXHAGL-UHFFFAOYSA-N 0 1 299.349 3.644 20 0 CHADMN Cc1cc(NC2=CCCN(C)C2)cc(F)c1Br ZINC001175579527 1121394605 /nfs/dbraw/zinc/39/46/05/1121394605.db2.gz XPKBZCDTDUGFLE-UHFFFAOYSA-N 0 1 299.187 3.528 20 0 CHADMN CN1CCC=C(Nc2cnc3c(Cl)cccc3c2)C1 ZINC001175576029 1121394886 /nfs/dbraw/zinc/39/48/86/1121394886.db2.gz BOPHLSVUMSXEOF-UHFFFAOYSA-N 0 1 273.767 3.520 20 0 CHADMN CN1CCC=C(Nc2cccc(Cl)c2C(F)(F)F)C1 ZINC001175578025 1121395460 /nfs/dbraw/zinc/39/54/60/1121395460.db2.gz GUJNSHFKNGJZPV-UHFFFAOYSA-N 0 1 290.716 3.990 20 0 CHADMN COc1ccc([C@@H]2COCCN2CC2CC(C)(C)C2)cc1 ZINC001175639126 1121403653 /nfs/dbraw/zinc/40/36/53/1121403653.db2.gz WQCIEMJCQYNJAR-KRWDZBQOSA-N 0 1 289.419 3.505 20 0 CHADMN Cc1cccc(C)c1[C@@H](C)NCc1n[nH]c(C(C)(C)C)n1 ZINC000432861133 1121406725 /nfs/dbraw/zinc/40/67/25/1121406725.db2.gz AVRDEPQXTWJUMI-CYBMUJFWSA-N 0 1 286.423 3.570 20 0 CHADMN C[C@@H]1CCN(Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000419191359 1121409295 /nfs/dbraw/zinc/40/92/95/1121409295.db2.gz OAHJAXIXXYMWMT-LLVKDONJSA-N 0 1 276.767 3.837 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cnc4c(c3)CCCC4)cc21 ZINC001175694479 1121414411 /nfs/dbraw/zinc/41/44/11/1121414411.db2.gz QEZQGOUJWIGFIZ-UHFFFAOYSA-N 0 1 278.359 3.889 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(Cl)ncc3C)cc12 ZINC001175694133 1121415216 /nfs/dbraw/zinc/41/52/16/1121415216.db2.gz OIZFMJVQWJARLV-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN CC(=O)c1ccsc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175694586 1121415320 /nfs/dbraw/zinc/41/53/20/1121415320.db2.gz SJUZLZWMMSYEDL-UHFFFAOYSA-N 0 1 271.345 3.879 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(F)nc(F)c3Cl)cc12 ZINC001175695017 1121415326 /nfs/dbraw/zinc/41/53/26/1121415326.db2.gz VMBSZQMOAXVUPI-UHFFFAOYSA-N 0 1 294.692 3.942 20 0 CHADMN COC(=O)c1cc(Nc2ccc3n[nH]c(C)c3c2)ccc1F ZINC001175698692 1121416935 /nfs/dbraw/zinc/41/69/35/1121416935.db2.gz BECOJERCMLDBRN-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN CC[C@@H](NCc1ccc(C(F)F)nc1)c1ccncc1 ZINC000631080602 1128983994 /nfs/dbraw/zinc/98/39/94/1128983994.db2.gz SJLJFGOSYZOGBQ-CYBMUJFWSA-N 0 1 277.318 3.655 20 0 CHADMN COC(=O)c1cccc(F)c1Nc1ccc2n[nH]c(C)c2c1 ZINC001175700288 1121417967 /nfs/dbraw/zinc/41/79/67/1121417967.db2.gz IQZIBGAORDODIT-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4nnc(C)cc43)cc21 ZINC001175699716 1121417970 /nfs/dbraw/zinc/41/79/70/1121417970.db2.gz QATLMDKNMLDPFD-UHFFFAOYSA-N 0 1 289.342 3.867 20 0 CHADMN Cc1cc(Nc2ccc3n[nH]c(C)c3c2)n(CC2CCC2)n1 ZINC001175699935 1121418065 /nfs/dbraw/zinc/41/80/65/1121418065.db2.gz XGYFZPSEWWOZIX-UHFFFAOYSA-N 0 1 295.390 3.920 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4nccnc43)cc21 ZINC001175700562 1121418184 /nfs/dbraw/zinc/41/81/84/1121418184.db2.gz OLRMFJYQSLLQGV-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN COc1c(F)cc(F)cc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175700455 1121418257 /nfs/dbraw/zinc/41/82/57/1121418257.db2.gz LFDYBWRMFBLMIZ-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN COC(=O)c1ccc(F)c(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175699679 1121418467 /nfs/dbraw/zinc/41/84/67/1121418467.db2.gz ARIFMLHIXXVZQS-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4oc(=O)ccc4c3)cc12 ZINC001175701753 1121419489 /nfs/dbraw/zinc/41/94/89/1121419489.db2.gz JJSGNEDUYJCNPS-UHFFFAOYSA-N 0 1 291.310 3.721 20 0 CHADMN CCc1ccc(Nc2ccc3c(c2)n[nH]c3C)cn1 ZINC001175656888 1121421926 /nfs/dbraw/zinc/42/19/26/1121421926.db2.gz KXSRBLLORVNGPN-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(-c4ccncc4)no3)ccc12 ZINC001175656594 1121422299 /nfs/dbraw/zinc/42/22/99/1121422299.db2.gz JSHNCAJDSFEEBT-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Cc1ccc(C)c(NCc2[nH]nc3ccccc32)c1 ZINC000676316374 1121423408 /nfs/dbraw/zinc/42/34/08/1121423408.db2.gz GXIZOWBHYOQDRR-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN Cc1cnn(CC2CC2)c1Nc1ccc2c(C)[nH]nc2c1 ZINC001175659805 1121424947 /nfs/dbraw/zinc/42/49/47/1121424947.db2.gz IOGCYIWVSXZTFQ-UHFFFAOYSA-N 0 1 281.363 3.530 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(Cl)c4nccn4c3)ccc12 ZINC001175660293 1121425087 /nfs/dbraw/zinc/42/50/87/1121425087.db2.gz OTVXFVSVGSZVSB-UHFFFAOYSA-N 0 1 297.749 3.916 20 0 CHADMN C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000676346053 1121425441 /nfs/dbraw/zinc/42/54/41/1121425441.db2.gz CZQCBDJDKREHII-RKDXNWHRSA-N 0 1 289.301 3.583 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc(C)c3O)ccc12 ZINC001175661820 1121425916 /nfs/dbraw/zinc/42/59/16/1121425916.db2.gz UIGKUINTTKUZGT-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COc1cc(C(C)=O)ccc1Nc1ccc2c(C)[nH]nc2c1 ZINC001175662338 1121426008 /nfs/dbraw/zinc/42/60/08/1121426008.db2.gz HPXFNWVAUKQTPL-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(F)cc(F)c3)ccc12 ZINC001175662011 1121426183 /nfs/dbraw/zinc/42/61/83/1121426183.db2.gz YUTVNFMIOXANLE-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(O)c(F)cc3F)ccc12 ZINC001175662420 1121426252 /nfs/dbraw/zinc/42/62/52/1121426252.db2.gz LGOAFUSWSZPLTO-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(F)c(C)cc3N)ccc12 ZINC001175662358 1121426338 /nfs/dbraw/zinc/42/63/38/1121426338.db2.gz ILPUVFSELUXHPY-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN COc1cc(F)ccc1Nc1ccc2c(C)[nH]nc2c1 ZINC001175662654 1121426342 /nfs/dbraw/zinc/42/63/42/1121426342.db2.gz WONYQWUUHXPBEU-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(C)cc(O)c3)ccc12 ZINC001175662782 1121427192 /nfs/dbraw/zinc/42/71/92/1121427192.db2.gz CTYHYWSKBILJFE-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(F)c(N)cc3C)ccc12 ZINC001175664902 1121427205 /nfs/dbraw/zinc/42/72/05/1121427205.db2.gz IMWRGGCJRUUTGN-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4cncnc4c3)ccc21 ZINC001175662758 1121427906 /nfs/dbraw/zinc/42/79/06/1121427906.db2.gz CCQJCGBWTMXMOM-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1nn(C)c2ccc(Nc3ccc4c(c3)n[nH]c4C)cc12 ZINC001175662982 1121428023 /nfs/dbraw/zinc/42/80/23/1121428023.db2.gz MTVZGGKXBKXNHN-UHFFFAOYSA-N 0 1 291.358 3.810 20 0 CHADMN Cc1[nH]nc2cc(Nc3c(N)cc(Cl)cc3F)ccc12 ZINC001175665386 1121428097 /nfs/dbraw/zinc/42/80/97/1121428097.db2.gz MBSJWKDMPCASGK-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN Cc1ccc(C)c(C[N@H+](C)Cc2cnn(C(C)C)c2)c1 ZINC000432883949 1121428121 /nfs/dbraw/zinc/42/81/21/1121428121.db2.gz DUQIFSAVTVGQNG-UHFFFAOYSA-N 0 1 271.408 3.713 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cnn(C(C)C)c2)c1 ZINC000432883949 1121428126 /nfs/dbraw/zinc/42/81/26/1121428126.db2.gz DUQIFSAVTVGQNG-UHFFFAOYSA-N 0 1 271.408 3.713 20 0 CHADMN Cc1[nH]nc2cc(-n3ccc4c3cc(N)cc4F)ccc12 ZINC001175663200 1121428150 /nfs/dbraw/zinc/42/81/50/1121428150.db2.gz UZVVAHHNQHGAGU-UHFFFAOYSA-N 0 1 280.306 3.537 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(O)c(C)cc3F)ccc12 ZINC001175663216 1121428295 /nfs/dbraw/zinc/42/82/95/1121428295.db2.gz VHCWHXAXFRMBII-UHFFFAOYSA-N 0 1 271.295 3.768 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccccc3[C@@H](C)O)cc12 ZINC001175702990 1121429362 /nfs/dbraw/zinc/42/93/62/1121429362.db2.gz VZVGAYPUMNAZBN-LLVKDONJSA-N 0 1 267.332 3.668 20 0 CHADMN COC[C@H](C)N[C@@H](C)c1cc(Cl)sc1Cl ZINC000131909948 1121431023 /nfs/dbraw/zinc/43/10/23/1121431023.db2.gz QSVZLVDMSLWAKH-BQBZGAKWSA-N 0 1 268.209 3.740 20 0 CHADMN Cc1nc([C@H](C)NCCc2cc(F)ccc2F)c(C)s1 ZINC000676491450 1121435703 /nfs/dbraw/zinc/43/57/03/1121435703.db2.gz CFSZQUYABSKIIF-VIFPVBQESA-N 0 1 296.386 3.931 20 0 CHADMN Cc1cc(C)c(/C=C\CNCc2cc(C)ncn2)c(C)c1 ZINC000631100766 1128985167 /nfs/dbraw/zinc/98/51/67/1128985167.db2.gz DBAMRNIJULRLEQ-WAYWQWQTSA-N 0 1 281.403 3.513 20 0 CHADMN Cc1ncoc1CN1CC=C(c2ccc(C)cc2)CC1 ZINC000893914977 1121439077 /nfs/dbraw/zinc/43/90/77/1121439077.db2.gz OKYYIASTONSFQA-UHFFFAOYSA-N 0 1 268.360 3.581 20 0 CHADMN Cc1cc(C)cc(CNCc2ccnn2CC2CCC2)c1 ZINC000631171919 1128989419 /nfs/dbraw/zinc/98/94/19/1128989419.db2.gz MIRCXSSMJGDTIV-UHFFFAOYSA-N 0 1 283.419 3.590 20 0 CHADMN COc1ccc(CNCc2ccc(C(F)(F)F)cc2C)o1 ZINC000893927801 1121441570 /nfs/dbraw/zinc/44/15/70/1121441570.db2.gz AMPMJBIQJLWJCF-UHFFFAOYSA-N 0 1 299.292 3.905 20 0 CHADMN c1cc(-c2cccc(NCc3[nH]nc4ccccc43)c2)n[nH]1 ZINC000676565144 1121445892 /nfs/dbraw/zinc/44/58/92/1121445892.db2.gz OQMDRLNMJICRDB-UHFFFAOYSA-N 0 1 289.342 3.565 20 0 CHADMN c1c(C2CCC2)nn2cc(N=C3CCCCC3)cnc12 ZINC001175751230 1121447776 /nfs/dbraw/zinc/44/77/76/1121447776.db2.gz HQSYXLAHOORKOB-UHFFFAOYSA-N 0 1 268.364 3.867 20 0 CHADMN COc1cncc(CNc2nccc(C)c2C2CC2)c1C ZINC000631173648 1128989881 /nfs/dbraw/zinc/98/98/81/1128989881.db2.gz RFDSYCXXJNPEFN-UHFFFAOYSA-N 0 1 283.375 3.592 20 0 CHADMN Cc1ncoc1CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000893966555 1121448146 /nfs/dbraw/zinc/44/81/46/1121448146.db2.gz CTBFIQBGMYMJOU-MRXNPFEDSA-N 0 1 268.360 3.635 20 0 CHADMN CCN(Cc1[nH]nc(C)c1C)[C@@H](C)c1ccc(F)cc1 ZINC000893967303 1121448152 /nfs/dbraw/zinc/44/81/52/1121448152.db2.gz ZYVOYCKWLMUNOE-ZDUSSCGKSA-N 0 1 275.371 3.749 20 0 CHADMN Cc1cc([C@H]2CCCN2C/C=C\c2cccc(F)c2)on1 ZINC000893994902 1121449337 /nfs/dbraw/zinc/44/93/37/1121449337.db2.gz MBKQWJFKBCOHMT-QQNRWZHASA-N 0 1 286.350 3.972 20 0 CHADMN CC(C)CC[C@@H]1CCCCN1C(=O)c1[nH]nc2ccccc21 ZINC000473410031 1121453788 /nfs/dbraw/zinc/45/37/88/1121453788.db2.gz RILOWHXRTXCHHE-AWEZNQCLSA-N 0 1 299.418 3.994 20 0 CHADMN COc1ccccc1[C@H]1CCCCN1Cc1ocnc1C ZINC000894004515 1121454105 /nfs/dbraw/zinc/45/41/05/1121454105.db2.gz SKVKBAWSNUEOOX-OAHLLOKOSA-N 0 1 286.375 3.719 20 0 CHADMN CC(C)[C@H]([NH2+]Cc1cccc([O-])c1Br)C1CC1 ZINC000315083544 1121454411 /nfs/dbraw/zinc/45/44/11/1121454411.db2.gz ZUSQQBVOUSMRRJ-AWEZNQCLSA-N 0 1 298.224 3.679 20 0 CHADMN Cc1coc(CN2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000894031136 1121457817 /nfs/dbraw/zinc/45/78/17/1121457817.db2.gz PNAGXLCZWZYLMP-MRXNPFEDSA-N 0 1 256.349 3.629 20 0 CHADMN CCC(C)(C)CNCc1csc(C(F)(F)F)n1 ZINC000894030609 1121459136 /nfs/dbraw/zinc/45/91/36/1121459136.db2.gz VGOPURYVHQHDHS-UHFFFAOYSA-N 0 1 266.332 3.688 20 0 CHADMN CC[C@@H](NCc1ccc(C(F)F)nc1)c1c(C)noc1C ZINC000631101598 1128985741 /nfs/dbraw/zinc/98/57/41/1128985741.db2.gz NVUWHQUIWMLTEY-GFCCVEGCSA-N 0 1 295.333 3.865 20 0 CHADMN C[C@H]1SCC[C@H]1NCc1csc(-c2cccs2)n1 ZINC000647258082 1121460167 /nfs/dbraw/zinc/46/01/67/1121460167.db2.gz MSJAUJUQLXNXGQ-MWLCHTKSSA-N 0 1 296.486 3.855 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2csc(C)c2C)n[nH]1 ZINC000631121873 1128986034 /nfs/dbraw/zinc/98/60/34/1128986034.db2.gz UFUKACBJQOZNBL-GXSJLCMTSA-N 0 1 292.452 3.847 20 0 CHADMN COc1c(F)cc(F)cc1CN1[C@H](C)CCC[C@H]1C ZINC001143551432 1121465618 /nfs/dbraw/zinc/46/56/18/1121465618.db2.gz YCDZBWQFEGIWJO-GHMZBOCLSA-N 0 1 269.335 3.736 20 0 CHADMN Clc1ccc(CN2CC[C@@H](C3CCCCC3)C2)nn1 ZINC000708827735 1121465961 /nfs/dbraw/zinc/46/59/61/1121465961.db2.gz UBWKYHJWPDKIHB-CYBMUJFWSA-N 0 1 279.815 3.532 20 0 CHADMN Clc1ncc(CN2CC[C@H](C3CCCC3)C2)s1 ZINC000708822265 1121466207 /nfs/dbraw/zinc/46/62/07/1121466207.db2.gz NVEPBXICVPETAS-NSHDSACASA-N 0 1 270.829 3.809 20 0 CHADMN Cc1coc(C[N@@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000894087910 1121467361 /nfs/dbraw/zinc/46/73/61/1121467361.db2.gz HKPAKFDSVBRAOC-UHFFFAOYSA-N 0 1 261.287 3.752 20 0 CHADMN Cc1coc(CN(CCC(F)(F)F)CC2CC2)c1 ZINC000894087910 1121467362 /nfs/dbraw/zinc/46/73/62/1121467362.db2.gz HKPAKFDSVBRAOC-UHFFFAOYSA-N 0 1 261.287 3.752 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000708554135 1121468577 /nfs/dbraw/zinc/46/85/77/1121468577.db2.gz GCMVAPFTUPXZRN-ZDUSSCGKSA-N 0 1 279.380 3.544 20 0 CHADMN CCC[C@H]1CCCN(Cc2ccc(Cl)nc2)C1 ZINC000708501768 1121468639 /nfs/dbraw/zinc/46/86/39/1121468639.db2.gz IOIWEXXMSWEWGD-LBPRGKRZSA-N 0 1 252.789 3.747 20 0 CHADMN CCC(CC)[C@@H](C)C(=O)Nc1cc(C(C)=O)ccc1O ZINC000512549636 1121471444 /nfs/dbraw/zinc/47/14/44/1121471444.db2.gz URLNQJWZVFOXAZ-SNVBAGLBSA-N 0 1 277.364 3.606 20 0 CHADMN Clc1cc(CNCCc2ccns2)c(Cl)s1 ZINC000709953444 1121472270 /nfs/dbraw/zinc/47/22/70/1121472270.db2.gz LYHQKBPFKKJVJC-UHFFFAOYSA-N 0 1 293.244 3.844 20 0 CHADMN C[C@@]12CCN(Cc3ccccc3Cl)C[C@@H]1C2(F)F ZINC000428722633 1121472412 /nfs/dbraw/zinc/47/24/12/1121472412.db2.gz XPGYLQFRCJFYDX-QWHCGFSZSA-N 0 1 271.738 3.817 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cn(C)cn1)c1cccc(Cl)c1 ZINC000710005201 1121473454 /nfs/dbraw/zinc/47/34/54/1121473454.db2.gz GAUAGYMWYXZVOE-SMDDNHRTSA-N 0 1 277.799 3.875 20 0 CHADMN CC(C)(CC[N@H+]1CCC(C)(C)CC(C)(C)C1)C(=O)[O-] ZINC000711078824 1121476363 /nfs/dbraw/zinc/47/63/63/1121476363.db2.gz JAVDSKPDQJGJCD-UHFFFAOYSA-N 0 1 269.429 3.636 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000036827331 1121477530 /nfs/dbraw/zinc/47/75/30/1121477530.db2.gz YTTLDROUPQESDP-BBRMVZONSA-N 0 1 273.376 3.539 20 0 CHADMN CC(=CC(=O)Nc1nc2ccc(C)cc2[nH]1)c1cccs1 ZINC001129273471 1121480914 /nfs/dbraw/zinc/48/09/14/1121480914.db2.gz FDUWGCVLLXMVER-PKNBQFBNSA-N 0 1 297.383 3.975 20 0 CHADMN C[C@H]1CCN(Cc2nc3ccc(F)cc3s2)CCS1 ZINC000432928031 1121483571 /nfs/dbraw/zinc/48/35/71/1121483571.db2.gz PTJNRAYBYUCANM-JTQLQIEISA-N 0 1 296.436 3.763 20 0 CHADMN Cc1scc(CNCc2ccnc(OC(F)F)c2)c1C ZINC000631130776 1128987286 /nfs/dbraw/zinc/98/72/86/1128987286.db2.gz OHVWOBDOPABUCT-UHFFFAOYSA-N 0 1 298.358 3.651 20 0 CHADMN C[N@@H+](CC[C@@H]1CCCO1)Cc1ccc(C(F)(F)F)s1 ZINC000432929087 1121483922 /nfs/dbraw/zinc/48/39/22/1121483922.db2.gz PMMCGUPAVNTJRN-JTQLQIEISA-N 0 1 293.354 3.768 20 0 CHADMN Cc1[nH]ncc1CNc1cccc(COC(C)(C)C)c1 ZINC000922912407 1121486558 /nfs/dbraw/zinc/48/65/58/1121486558.db2.gz HZSMDRYBWOSRAS-UHFFFAOYSA-N 0 1 273.380 3.645 20 0 CHADMN CO[C@H](CC(C)C)CN1CCc2[nH]c3ccccc3c2C1 ZINC000419217035 1121490338 /nfs/dbraw/zinc/49/03/38/1121490338.db2.gz COATYSMWRRONIZ-CQSZACIVSA-N 0 1 286.419 3.587 20 0 CHADMN CCc1onc(C)c1CNCc1ccc(F)c2cccnc12 ZINC000922983146 1121503072 /nfs/dbraw/zinc/50/30/72/1121503072.db2.gz JVPCETMSESHHET-UHFFFAOYSA-N 0 1 299.349 3.523 20 0 CHADMN COc1ccc(Cl)cc1CN1CCC[C@H](CSC)C1 ZINC000429281749 1121506267 /nfs/dbraw/zinc/50/62/67/1121506267.db2.gz XBIMRULPPQQJER-LBPRGKRZSA-N 0 1 299.867 3.924 20 0 CHADMN O[C@@H]1CCc2ccccc2[C@@H]1NCc1cc(Cl)cs1 ZINC000922989868 1121506226 /nfs/dbraw/zinc/50/62/26/1121506226.db2.gz FCNLUZOMBFMQFV-CABCVRRESA-N 0 1 293.819 3.540 20 0 CHADMN CO[C@H](C)c1nc(CN2CCCC3(CC3)CC2)cs1 ZINC000626113762 1121508281 /nfs/dbraw/zinc/50/82/81/1121508281.db2.gz FOXFUGZQEQXAFE-GFCCVEGCSA-N 0 1 280.437 3.617 20 0 CHADMN [NH3+]Cc1ccc(Nc2c(Cl)ccc([O-])c2Cl)cc1 ZINC001175971152 1121508750 /nfs/dbraw/zinc/50/87/50/1121508750.db2.gz UKRXOOICWCZYMS-UHFFFAOYSA-N 0 1 283.158 3.901 20 0 CHADMN CC[C@H](N[C@@H](C)c1cc(C)cc(C)c1)c1ccn(C)n1 ZINC000543601681 1121509401 /nfs/dbraw/zinc/50/94/01/1121509401.db2.gz JDSHHJWHSZJNPB-HOCLYGCPSA-N 0 1 271.408 3.839 20 0 CHADMN CCCc1nc(CN[C@H]2C[C@@H](OC)C2(CC)CC)cs1 ZINC000429291746 1121511227 /nfs/dbraw/zinc/51/12/27/1121511227.db2.gz JBLZNBPVWNDMRX-UONOGXRCSA-N 0 1 296.480 3.779 20 0 CHADMN C[C@]1(NCc2cc3cnccc3o2)CCOc2ccccc21 ZINC000923024578 1121513470 /nfs/dbraw/zinc/51/34/70/1121513470.db2.gz JGFCMWSELHDDQW-SFHVURJKSA-N 0 1 294.354 3.615 20 0 CHADMN Cc1cnccc1CNCc1ccsc1C(F)(F)F ZINC000631189665 1128990585 /nfs/dbraw/zinc/99/05/85/1128990585.db2.gz VZQQHTNKERLNKX-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CSC[C@H]1CCCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000429297526 1121517217 /nfs/dbraw/zinc/51/72/17/1121517217.db2.gz VPNMBFAOZHFZFL-AWEZNQCLSA-N 0 1 293.480 3.573 20 0 CHADMN c1c2ccccc2sc1Nc1ccc2nn[nH]c2c1 ZINC001175999474 1121518578 /nfs/dbraw/zinc/51/85/78/1121518578.db2.gz VRNYTJMVPKQUBP-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN c1c2ccccc2sc1Nc1ccc2n[nH]nc2c1 ZINC001175999474 1121518586 /nfs/dbraw/zinc/51/85/86/1121518586.db2.gz VRNYTJMVPKQUBP-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN Clc1c(Nc2ccc3nn[nH]c3c2)cnc2ccccc21 ZINC001175999264 1121518666 /nfs/dbraw/zinc/51/86/66/1121518666.db2.gz VVWIFLFGFOKTML-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1c(Nc2ccc3n[nH]nc3c2)cnc2ccccc21 ZINC001175999264 1121518675 /nfs/dbraw/zinc/51/86/75/1121518675.db2.gz VVWIFLFGFOKTML-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN CC(C)(F)CNCc1ccc(C(F)(F)F)s1 ZINC000631189188 1128990846 /nfs/dbraw/zinc/99/08/46/1128990846.db2.gz MEKUZLNHVDLAOF-UHFFFAOYSA-N 0 1 255.280 3.605 20 0 CHADMN Cc1c(C)c(Nc2ccc3nn[nH]c3c2)c(C)c(C)c1N ZINC001176001915 1121519140 /nfs/dbraw/zinc/51/91/40/1121519140.db2.gz CWOFZCBWQNZRMX-UHFFFAOYSA-N 0 1 281.363 3.517 20 0 CHADMN Cc1c(C)c(Nc2ccc3n[nH]nc3c2)c(C)c(C)c1N ZINC001176001915 1121519144 /nfs/dbraw/zinc/51/91/44/1121519144.db2.gz CWOFZCBWQNZRMX-UHFFFAOYSA-N 0 1 281.363 3.517 20 0 CHADMN Clc1ccc2c(c1)nccc2Nc1ccc2nn[nH]c2c1 ZINC001175999296 1121519160 /nfs/dbraw/zinc/51/91/60/1121519160.db2.gz WWDSSERBCHAOQX-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1ccc2c(c1)nccc2Nc1ccc2n[nH]nc2c1 ZINC001175999296 1121519164 /nfs/dbraw/zinc/51/91/64/1121519164.db2.gz WWDSSERBCHAOQX-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Fc1cc2cc(Nc3ccc4nn[nH]c4c3)cnc2cc1F ZINC001176002025 1121519749 /nfs/dbraw/zinc/51/97/49/1121519749.db2.gz OLXNHQLJNCEYQA-UHFFFAOYSA-N 0 1 297.268 3.528 20 0 CHADMN Fc1cc2cc(Nc3ccc4n[nH]nc4c3)cnc2cc1F ZINC001176002025 1121519758 /nfs/dbraw/zinc/51/97/58/1121519758.db2.gz OLXNHQLJNCEYQA-UHFFFAOYSA-N 0 1 297.268 3.528 20 0 CHADMN c1coc(-c2ccc(Nc3ccc4nn[nH]c4c3)cc2)c1 ZINC001176002698 1121521714 /nfs/dbraw/zinc/52/17/14/1121521714.db2.gz RVJFVLXEAPXKHL-UHFFFAOYSA-N 0 1 276.299 3.962 20 0 CHADMN c1coc(-c2ccc(Nc3ccc4n[nH]nc4c3)cc2)c1 ZINC001176002698 1121521722 /nfs/dbraw/zinc/52/17/22/1121521722.db2.gz RVJFVLXEAPXKHL-UHFFFAOYSA-N 0 1 276.299 3.962 20 0 CHADMN Cc1ccc2c(cccc2Nc2ccc3nn[nH]c3c2)n1 ZINC001176005338 1121522343 /nfs/dbraw/zinc/52/23/43/1121522343.db2.gz XFANOSOKKZRJPE-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1ccc2c(cccc2Nc2ccc3n[nH]nc3c2)n1 ZINC001176005338 1121522347 /nfs/dbraw/zinc/52/23/47/1121522347.db2.gz XFANOSOKKZRJPE-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1cnc(C2CCN(Cc3cccc(F)c3)CC2)s1 ZINC000433030213 1121525591 /nfs/dbraw/zinc/52/55/91/1121525591.db2.gz DZXVBENXIZBFQH-UHFFFAOYSA-N 0 1 290.407 3.970 20 0 CHADMN Cc1nc([C@@H](C)N(C)Cc2csc3ccccc23)n[nH]1 ZINC000411165022 1121528309 /nfs/dbraw/zinc/52/83/09/1121528309.db2.gz JLMQTQUFWNNBDF-SNVBAGLBSA-N 0 1 286.404 3.521 20 0 CHADMN C/C(=C/c1ccc(Cl)cc1)CNCc1conc1C ZINC000631208869 1128991844 /nfs/dbraw/zinc/99/18/44/1128991844.db2.gz MUCIJXVZXXLEFG-XFFZJAGNSA-N 0 1 276.767 3.830 20 0 CHADMN CCc1nnc([C@@H](C)N2CC[C@H](c3ccc(CC)cc3)C2)o1 ZINC000433042977 1121533859 /nfs/dbraw/zinc/53/38/59/1121533859.db2.gz BQZAKLIUKVRBBZ-CJNGLKHVSA-N 0 1 299.418 3.745 20 0 CHADMN CCc1c(Cl)cc(Nc2[nH]cc[nH+]2)c([O-])c1Cl ZINC001176084630 1121534732 /nfs/dbraw/zinc/53/47/32/1121534732.db2.gz AAPJRJWVXLBVDS-UHFFFAOYSA-N 0 1 272.135 3.728 20 0 CHADMN CCc1ccc(CN(Cc2cccc(O)c2)CC2CC2)o1 ZINC000512692817 1121535253 /nfs/dbraw/zinc/53/52/53/1121535253.db2.gz HWGRRDBGRINGNS-UHFFFAOYSA-N 0 1 285.387 3.960 20 0 CHADMN Fc1cccc(OC2CCCC2)c1Nc1ncc[nH]1 ZINC001176090478 1121536293 /nfs/dbraw/zinc/53/62/93/1121536293.db2.gz HCCIKMXMFSUNDR-UHFFFAOYSA-N 0 1 261.300 3.614 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccc(C)c(F)c1F ZINC001176091194 1121536424 /nfs/dbraw/zinc/53/64/24/1121536424.db2.gz ILEDBKGBDCGRPE-UHFFFAOYSA-N 0 1 273.286 3.503 20 0 CHADMN FC[C@@H]1CCN(Cc2cc3ccccc3nc2Cl)C1 ZINC000711473765 1121536833 /nfs/dbraw/zinc/53/68/33/1121536833.db2.gz CYPCHUINBPMWLK-NSHDSACASA-N 0 1 278.758 3.680 20 0 CHADMN Nc1nc2ccccc2n1-c1cccc(OC2CCCC2)c1 ZINC001176097206 1121538806 /nfs/dbraw/zinc/53/88/06/1121538806.db2.gz LGYBCYMVIZZGGN-UHFFFAOYSA-N 0 1 293.370 3.929 20 0 CHADMN OCc1cc(Nc2cccc(OC3CCCC3)c2)ccn1 ZINC001176098403 1121540495 /nfs/dbraw/zinc/54/04/95/1121540495.db2.gz CWRKKRIKFVWQAF-UHFFFAOYSA-N 0 1 284.359 3.639 20 0 CHADMN CC[C@@H](NCc1cccc2ccccc21)c1ccn(C)n1 ZINC000543636864 1121543481 /nfs/dbraw/zinc/54/34/81/1121543481.db2.gz QJKLWWZFRYZPMH-QGZVFWFLSA-N 0 1 279.387 3.814 20 0 CHADMN Cc1ccoc1CN(C)Cc1cc(F)cc2cccnc21 ZINC000429366251 1121545093 /nfs/dbraw/zinc/54/50/93/1121545093.db2.gz RNNYJFBBOPXPRI-UHFFFAOYSA-N 0 1 284.334 3.907 20 0 CHADMN O=C([O-])[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)Cc2ccccc21 ZINC000923254764 1121545340 /nfs/dbraw/zinc/54/53/40/1121545340.db2.gz DPDNEXINEDQLHY-QGZVFWFLSA-N 0 1 299.414 3.641 20 0 CHADMN CC(C)(O)CN(Cc1ccccc1)Cc1ccccc1F ZINC000036115561 1121546157 /nfs/dbraw/zinc/54/61/57/1121546157.db2.gz KBDHCDWQSJUYMY-UHFFFAOYSA-N 0 1 287.378 3.599 20 0 CHADMN COc1ccnc([C@H](C)N[C@H]2CCc3ccc(C)cc32)c1 ZINC000925373490 1121555835 /nfs/dbraw/zinc/55/58/35/1121555835.db2.gz DZYSGUBRSIQFDO-GUYCJALGSA-N 0 1 282.387 3.737 20 0 CHADMN CCc1nc(C(C)C)ccc1CN1CCC(F)(F)CC1 ZINC000645134843 1121558184 /nfs/dbraw/zinc/55/81/84/1121558184.db2.gz VIEZPLQXDLZDTF-UHFFFAOYSA-N 0 1 282.378 3.999 20 0 CHADMN Fc1ccc([C@@H](NCc2ncc[nH]2)C2CCCCC2)cc1 ZINC000631227370 1128993500 /nfs/dbraw/zinc/99/35/00/1128993500.db2.gz JDBWSQJXWHCERQ-KRWDZBQOSA-N 0 1 287.382 3.960 20 0 CHADMN c1ncc(CNc2cccc(C3SCCS3)c2)[nH]1 ZINC000894115957 1121561520 /nfs/dbraw/zinc/56/15/20/1121561520.db2.gz LDXVDGOCRBGGHU-UHFFFAOYSA-N 0 1 277.418 3.500 20 0 CHADMN C[C@H]1CC(F)(F)CCN1CCc1cccc(F)c1F ZINC000625980774 1121565484 /nfs/dbraw/zinc/56/54/84/1121565484.db2.gz POVWIPMOEVKZNF-JTQLQIEISA-N 0 1 275.289 3.627 20 0 CHADMN COc1ccc(F)c(CN[C@@H](C)c2ccccc2C)c1 ZINC000645143524 1121566031 /nfs/dbraw/zinc/56/60/31/1121566031.db2.gz CMSDPSVILNTRLJ-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN CCCOc1cc(CNCc2ccc(C)o2)ccc1OC ZINC000631243324 1128994292 /nfs/dbraw/zinc/99/42/92/1128994292.db2.gz BVPXOPGTLGEDRM-UHFFFAOYSA-N 0 1 289.375 3.675 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1c(F)cccc1OC(C)C ZINC001211772930 1121578099 /nfs/dbraw/zinc/57/80/99/1121578099.db2.gz IULUTGLZRKHBSS-UHFFFAOYSA-N 0 1 299.349 3.842 20 0 CHADMN CC[C@@H](NC[C@H](CC(C)C)OC)c1nc(C)cs1 ZINC000419241780 1121578862 /nfs/dbraw/zinc/57/88/62/1121578862.db2.gz HHNUEKRVBDPIKB-QWHCGFSZSA-N 0 1 270.442 3.553 20 0 CHADMN FC(F)(F)c1cscc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631263162 1128995637 /nfs/dbraw/zinc/99/56/37/1128995637.db2.gz YDYOTKWNCQFIIO-HTRCEHHLSA-N 0 1 289.244 3.807 20 0 CHADMN COc1ccccc1C[C@H](C)[N@H+](C)Cc1occc1[S-] ZINC001237181802 1128995834 /nfs/dbraw/zinc/99/58/34/1128995834.db2.gz FYTODSQRUQYJCH-LBPRGKRZSA-N 0 1 291.416 3.640 20 0 CHADMN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1occc1[S-] ZINC001237181802 1128995838 /nfs/dbraw/zinc/99/58/38/1128995838.db2.gz FYTODSQRUQYJCH-LBPRGKRZSA-N 0 1 291.416 3.640 20 0 CHADMN CC(C)SCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000283216622 1121598741 /nfs/dbraw/zinc/59/87/41/1121598741.db2.gz SKIUKFJDXVMQLA-KRWDZBQOSA-N 0 1 286.444 3.902 20 0 CHADMN CCCCc1nc(CN(C)[C@H](C)C2CC2)cs1 ZINC000073872660 1121603057 /nfs/dbraw/zinc/60/30/57/1121603057.db2.gz BXDFEHFOENTFLM-LLVKDONJSA-N 0 1 252.427 3.716 20 0 CHADMN CC[C@H](F)CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433317413 1121648597 /nfs/dbraw/zinc/64/85/97/1121648597.db2.gz KXXMCRGAXIKIPK-JSGCOSHPSA-N 0 1 255.764 3.877 20 0 CHADMN C[C@@H](NCc1nc(-c2cccc(Cl)c2)no1)C(C)(C)C ZINC000074317528 1121604474 /nfs/dbraw/zinc/60/44/74/1121604474.db2.gz RRROSELRFCGEDT-SNVBAGLBSA-N 0 1 293.798 3.914 20 0 CHADMN C[C@H](C1CC1)[N@@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000078723264 1121613478 /nfs/dbraw/zinc/61/34/78/1121613478.db2.gz JSZGZODWMSHZJW-SNVBAGLBSA-N 0 1 291.782 3.620 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000078723264 1121613480 /nfs/dbraw/zinc/61/34/80/1121613480.db2.gz JSZGZODWMSHZJW-SNVBAGLBSA-N 0 1 291.782 3.620 20 0 CHADMN CCc1ccc(CN[C@@H]2CCCc3c(O)cccc32)nc1 ZINC000411623423 1121614137 /nfs/dbraw/zinc/61/41/37/1121614137.db2.gz RPIPHMYPWMYTPR-QGZVFWFLSA-N 0 1 282.387 3.517 20 0 CHADMN COc1cccc2c1CCC[C@H]2N[C@H](C)c1ccccn1 ZINC000194832115 1121616252 /nfs/dbraw/zinc/61/62/52/1121616252.db2.gz NKJSDWCWFAKSCS-CXAGYDPISA-N 0 1 282.387 3.818 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1scnc1C1CC1 ZINC000487558111 1121620069 /nfs/dbraw/zinc/62/00/69/1121620069.db2.gz ISATVMNUKGOAPC-LLVKDONJSA-N 0 1 287.432 3.829 20 0 CHADMN CCN(c1ccc(N[C@@H](COC)C2CC2)cc1)C(C)C ZINC000182774524 1128997816 /nfs/dbraw/zinc/99/78/16/1128997816.db2.gz RUAVWHLQXZZKGW-KRWDZBQOSA-N 0 1 276.424 3.758 20 0 CHADMN CC[C@H](CN1CCCC[C@@H]1c1nc2ccccc2[nH]1)OC ZINC000419287502 1121622417 /nfs/dbraw/zinc/62/24/17/1121622417.db2.gz RKPGBJAYBFFZHA-CZUORRHYSA-N 0 1 287.407 3.515 20 0 CHADMN Cn1cnc(NC=Cc2ccc(-c3ccccc3)cc2)n1 ZINC001176407736 1121625636 /nfs/dbraw/zinc/62/56/36/1121625636.db2.gz KISQVMZSAFBLPY-VAWYXSNFSA-N 0 1 276.343 3.565 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2nc3c(s2)CCC3)C1 ZINC000611414870 1121646451 /nfs/dbraw/zinc/64/64/51/1121646451.db2.gz IGYDRLJCMAYPNV-GFCCVEGCSA-N 0 1 296.505 3.739 20 0 CHADMN CCc1ccc(C)[nH+]c1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176591635 1121648662 /nfs/dbraw/zinc/64/86/62/1121648662.db2.gz NAXOFRMNLIUMDZ-YRNVUSSQSA-N 0 1 282.343 3.794 20 0 CHADMN CCCc1noc(CN(C)[C@@H]2CCC[C@@H]2C(C)(C)C)n1 ZINC000419322516 1121654524 /nfs/dbraw/zinc/65/45/24/1121654524.db2.gz HPFBPEXYNSWOOV-QWHCGFSZSA-N 0 1 279.428 3.669 20 0 CHADMN CSCc1ccc(CNCc2ccccc2F)cc1 ZINC000512989374 1121656691 /nfs/dbraw/zinc/65/66/91/1121656691.db2.gz SVKQVFOCKZOMDA-UHFFFAOYSA-N 0 1 275.392 3.979 20 0 CHADMN Cc1cccc(CN(C)[C@H](C)C(=O)Nc2ccccc2)c1C ZINC000428751275 1121658024 /nfs/dbraw/zinc/65/80/24/1121658024.db2.gz RXOPUXDTFNDMOK-MRXNPFEDSA-N 0 1 296.414 3.762 20 0 CHADMN CN(C1CC(F)(F)C1)C(C)(C)c1ccnc(Cl)c1 ZINC001163771207 1121658256 /nfs/dbraw/zinc/65/82/56/1121658256.db2.gz GPZWEDYMSFBCQU-UHFFFAOYSA-N 0 1 274.742 3.700 20 0 CHADMN CSCc1cnc(CN2CCC[C@H](C(C)C)C2)s1 ZINC000512991759 1121661153 /nfs/dbraw/zinc/66/11/53/1121661153.db2.gz GVEGKRLAJPRKTP-LBPRGKRZSA-N 0 1 284.494 3.874 20 0 CHADMN COc1ccncc1CN[C@H](C)c1ccc(C2CC2)cc1 ZINC000419335276 1121663741 /nfs/dbraw/zinc/66/37/41/1121663741.db2.gz JVMUADCZYRJVDE-CYBMUJFWSA-N 0 1 282.387 3.818 20 0 CHADMN CN(Cc1nc(C2CC2)no1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419337128 1121666848 /nfs/dbraw/zinc/66/68/48/1121666848.db2.gz XZITVFQHINUCHD-STQMWFEESA-N 0 1 277.412 3.594 20 0 CHADMN CCCc1noc(CN(C2CC2)C2CCC(C)CC2)n1 ZINC000052103868 1121674204 /nfs/dbraw/zinc/67/42/04/1121674204.db2.gz ZFCVNCQOLCJJAC-UHFFFAOYSA-N 0 1 277.412 3.565 20 0 CHADMN Cc1ncc(CN(C)CCOc2ccccc2Cl)s1 ZINC000052101218 1121674238 /nfs/dbraw/zinc/67/42/38/1121674238.db2.gz WLCUDNYKQYHUDP-UHFFFAOYSA-N 0 1 296.823 3.616 20 0 CHADMN C[C@@H]1CCCCN1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000041362518 1121677618 /nfs/dbraw/zinc/67/76/18/1121677618.db2.gz LCMROHDAXUHOSK-GFCCVEGCSA-N 0 1 274.339 3.855 20 0 CHADMN CC/C=C/COC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000727044437 1121688862 /nfs/dbraw/zinc/68/88/62/1121688862.db2.gz WQELLWCWXKJLPI-XBXARRHUSA-N 0 1 270.332 3.508 20 0 CHADMN COc1cccc(CN(Cc2ccccn2)C(C)C)c1 ZINC000052217998 1121694737 /nfs/dbraw/zinc/69/47/37/1121694737.db2.gz VVZZVSMKSJVVKV-UHFFFAOYSA-N 0 1 270.376 3.501 20 0 CHADMN C[C@@]1(C2CC2)COCCN1C/C=C\c1ccc(Cl)cc1 ZINC001176820419 1121696275 /nfs/dbraw/zinc/69/62/75/1121696275.db2.gz ZBSUGTJPARBQSE-KYVUIXNKSA-N 0 1 291.822 3.854 20 0 CHADMN O=C(Nc1ccc(F)c(F)c1)c1cc(Cl)ccc1O ZINC000021021733 1121700780 /nfs/dbraw/zinc/70/07/80/1121700780.db2.gz AKJGOFWBCZWMCU-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN Cc1cccnc1[C@H](C)NC[C@@H](O)c1cc2ccccc2o1 ZINC001176896434 1121701532 /nfs/dbraw/zinc/70/15/32/1121701532.db2.gz FXIIYCGJKPDXCH-DZGCQCFKSA-N 0 1 296.370 3.520 20 0 CHADMN CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000054298510 1121702046 /nfs/dbraw/zinc/70/20/46/1121702046.db2.gz BFYHUTGKLURISY-HNNXBMFYSA-N 0 1 289.419 3.671 20 0 CHADMN CCc1ccc2c(c1)CCN([C@H](C)c1ccccn1)C2 ZINC001177008498 1121705040 /nfs/dbraw/zinc/70/50/40/1121705040.db2.gz KWZNEQFCZHFSKA-CQSZACIVSA-N 0 1 266.388 3.763 20 0 CHADMN Cc1ncoc1CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC001177112893 1121713967 /nfs/dbraw/zinc/71/39/67/1121713967.db2.gz ZBMBSTOKECXATF-OAHLLOKOSA-N 0 1 276.767 3.877 20 0 CHADMN Fc1cc(CNCc2ccoc2)ccc1Oc1cccnc1 ZINC000727469456 1121722029 /nfs/dbraw/zinc/72/20/29/1121722029.db2.gz ZBRTZYUKKNEFCU-UHFFFAOYSA-N 0 1 298.317 3.896 20 0 CHADMN C[C@@H]1CC[C@@H](CNCc2csc(C(F)(F)F)n2)C1 ZINC000894175106 1121723569 /nfs/dbraw/zinc/72/35/69/1121723569.db2.gz VMQOFOJMMRJIHK-RKDXNWHRSA-N 0 1 278.343 3.688 20 0 CHADMN CN(Cc1ccoc1)Cc1ccc(C(F)(F)F)cc1 ZINC000345094429 1121724669 /nfs/dbraw/zinc/72/46/69/1121724669.db2.gz XASMNEXTZQAVKA-UHFFFAOYSA-N 0 1 269.266 3.930 20 0 CHADMN Cc1cc(C)c(CNCc2cn3cccc(F)c3n2)c(C)c1 ZINC001648950825 1121727961 /nfs/dbraw/zinc/72/79/61/1121727961.db2.gz HGURPMFYOJYZAV-UHFFFAOYSA-N 0 1 297.377 3.688 20 0 CHADMN FC(F)(F)CCN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773669557 1121733135 /nfs/dbraw/zinc/73/31/35/1121733135.db2.gz LEEQISCTSNNQTR-UHFFFAOYSA-N 0 1 290.716 3.777 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2ccc(C)s2)n1 ZINC001177496721 1121733865 /nfs/dbraw/zinc/73/38/65/1121733865.db2.gz NJHMVVGHJBNUNZ-GFCCVEGCSA-N 0 1 276.405 3.701 20 0 CHADMN C[C@@H](O)c1ccc(CNCc2cc3cc(F)ccc3o2)cc1 ZINC001177479219 1121734540 /nfs/dbraw/zinc/73/45/40/1121734540.db2.gz KOMNHBVUNDWYPH-GFCCVEGCSA-N 0 1 299.345 3.915 20 0 CHADMN Fc1ccc(CNCc2cc3cnccc3o2)cc1Cl ZINC001177590038 1121739775 /nfs/dbraw/zinc/73/97/75/1121739775.db2.gz CXUSWLFRMOETJN-UHFFFAOYSA-N 0 1 290.725 3.910 20 0 CHADMN CN(CC/C=C/c1cccnc1)Cc1cccc(F)c1F ZINC001204201805 1121745008 /nfs/dbraw/zinc/74/50/08/1121745008.db2.gz CRFQKRLWUQDKIK-QHHAFSJGSA-N 0 1 288.341 3.895 20 0 CHADMN CCCCOc1ccccc1CNCc1cccc(CO)c1 ZINC001177774858 1121748348 /nfs/dbraw/zinc/74/83/48/1121748348.db2.gz QDRAZMUPAFZWJQ-UHFFFAOYSA-N 0 1 299.414 3.648 20 0 CHADMN COc1ccccc1/C=C\CN[C@@H](C)c1ncc(C)s1 ZINC001177955616 1121760825 /nfs/dbraw/zinc/76/08/25/1121760825.db2.gz OBXVGMKGNOWYOL-WOLRVDTOSA-N 0 1 288.416 3.824 20 0 CHADMN CCCOc1ccc(CNc2ccc3nn[nH]c3c2)cc1C ZINC001178046687 1121764440 /nfs/dbraw/zinc/76/44/40/1121764440.db2.gz ZBZMBLXMJULRMS-UHFFFAOYSA-N 0 1 296.374 3.667 20 0 CHADMN CCCOc1ccc(CNc2ccc3n[nH]nc3c2)cc1C ZINC001178046687 1121764448 /nfs/dbraw/zinc/76/44/48/1121764448.db2.gz ZBZMBLXMJULRMS-UHFFFAOYSA-N 0 1 296.374 3.667 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)C1CCCC1)c1ncc[nH]1 ZINC000285950031 1121765426 /nfs/dbraw/zinc/76/54/26/1121765426.db2.gz GDLQTQTUDBCQHY-BBRMVZONSA-N 0 1 269.392 3.992 20 0 CHADMN C[C@@H](N[C@H](CC1CCC1)c1ccccc1)c1ncc[nH]1 ZINC000285996741 1121765896 /nfs/dbraw/zinc/76/58/96/1121765896.db2.gz HHDDWYBTOINDPB-CZUORRHYSA-N 0 1 269.392 3.992 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@@H](C)c1c(C)noc1C)CCC2 ZINC000168225062 1121769351 /nfs/dbraw/zinc/76/93/51/1121769351.db2.gz FXOZEWMAKNBAOL-QPUJVOFHSA-N 0 1 291.420 3.785 20 0 CHADMN Cc1cc(CN[C@H](C)CCc2c[nH]c3ccccc23)no1 ZINC000631572054 1129008286 /nfs/dbraw/zinc/00/82/86/1129008286.db2.gz JDZWETMPJUXQSE-GFCCVEGCSA-N 0 1 283.375 3.575 20 0 CHADMN CC[C@@H](NCc1ccc(COC)o1)c1ccc(F)cc1 ZINC001178285183 1121776959 /nfs/dbraw/zinc/77/69/59/1121776959.db2.gz MIFDTVZXKXKGLO-MRXNPFEDSA-N 0 1 277.339 3.806 20 0 CHADMN C[C@H]1CCN(Cc2cc(F)ccc2F)CCC1(F)F ZINC001204214306 1121777033 /nfs/dbraw/zinc/77/70/33/1121777033.db2.gz WANWVQMHYWNJQB-JTQLQIEISA-N 0 1 275.289 3.832 20 0 CHADMN CCC(CC)[C@H](NC(=O)C(F)(F)F)c1cccs1 ZINC000729330395 1121778446 /nfs/dbraw/zinc/77/84/46/1121778446.db2.gz CKKIQFUUEVUWJI-JTQLQIEISA-N 0 1 279.327 3.904 20 0 CHADMN CCC[C@@H](N[C@H]1CCCc2ncccc21)c1ccccn1 ZINC000631574917 1129008585 /nfs/dbraw/zinc/00/85/85/1129008585.db2.gz GSRMETQNKPMSSQ-FUHWJXTLSA-N 0 1 281.403 3.985 20 0 CHADMN CCC[C@@H](NCc1ccoc1C)c1cc(C)ccn1 ZINC000631575705 1129009344 /nfs/dbraw/zinc/00/93/44/1129009344.db2.gz AZYMFYVLAYXFRK-OAHLLOKOSA-N 0 1 258.365 3.922 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(C3CCC3)cc2)ncn1 ZINC000631600507 1129011693 /nfs/dbraw/zinc/01/16/93/1129011693.db2.gz AFAYYBVPIAVAFB-AWEZNQCLSA-N 0 1 281.403 3.903 20 0 CHADMN c1cc(CNc2ccc3c(n2)CCC3)cc2c1CCC2 ZINC001178742628 1121811077 /nfs/dbraw/zinc/81/10/77/1121811077.db2.gz TYEINFSTLYHCGG-UHFFFAOYSA-N 0 1 264.372 3.671 20 0 CHADMN CC(C)Oc1cccc(NCc2[nH]nc3ccccc32)c1 ZINC001178769285 1121816055 /nfs/dbraw/zinc/81/60/55/1121816055.db2.gz KXQZLEVSZKJEEA-UHFFFAOYSA-N 0 1 281.359 3.962 20 0 CHADMN Cc1cc(C)c(C=CCNCc2n[nH]c(C(C)C)n2)c(C)c1 ZINC001178791271 1121816983 /nfs/dbraw/zinc/81/69/83/1121816983.db2.gz VRXCZRZDKLGQED-SREVYHEPSA-N 0 1 298.434 3.656 20 0 CHADMN CCC1(C(=O)Nc2cc3n[nH]c(C)c3c(F)c2)CCC1 ZINC001179024156 1121837588 /nfs/dbraw/zinc/83/75/88/1121837588.db2.gz ZQLVBJYBBSEBJE-UHFFFAOYSA-N 0 1 275.327 3.529 20 0 CHADMN CC(C)SCC[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000619779474 1129012894 /nfs/dbraw/zinc/01/28/94/1129012894.db2.gz XDKLAGUCSSULAU-LBPRGKRZSA-N 0 1 267.413 3.886 20 0 CHADMN F[C@@]1(c2ccccc2)C[C@H]1NCc1cccc2cnccc21 ZINC001178998923 1121839986 /nfs/dbraw/zinc/83/99/86/1121839986.db2.gz UCXNSFBUTPZVCO-RTBURBONSA-N 0 1 292.357 3.962 20 0 CHADMN C[C@@]1(CNCc2csc(-c3cccs3)n2)CCCO1 ZINC000152950562 1129013239 /nfs/dbraw/zinc/01/32/39/1129013239.db2.gz TWIPAXQPVXNBGU-AWEZNQCLSA-N 0 1 294.445 3.530 20 0 CHADMN CCN(CC)[C@@H](C(=O)N(C)[C@@H](C)C(C)C)c1ccccc1 ZINC000345250565 1121859636 /nfs/dbraw/zinc/85/96/36/1121859636.db2.gz DGHBRMVLKMVJGN-DOTOQJQBSA-N 0 1 290.451 3.572 20 0 CHADMN Fc1ccc2oc(CN[C@@H]3CCCC[C@@H]3F)cc2c1 ZINC001179304888 1121868387 /nfs/dbraw/zinc/86/83/87/1121868387.db2.gz XAODSUIUVGGJSQ-UONOGXRCSA-N 0 1 265.303 3.942 20 0 CHADMN CC[C@H](C(=O)Nc1ccc2cncn2c1)c1ccc(F)cc1 ZINC001179310549 1121870742 /nfs/dbraw/zinc/87/07/42/1121870742.db2.gz XAEFTPAMEMUDBG-INIZCTEOSA-N 0 1 297.333 3.606 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](CCCCC(=O)[O-])Cc1ccccc1 ZINC000262212752 1129014978 /nfs/dbraw/zinc/01/49/78/1129014978.db2.gz JEPIMRFTJQFDCM-AWEZNQCLSA-N 0 1 275.392 3.542 20 0 CHADMN COc1cccc(CNCc2ccc(SC)cc2)c1F ZINC000192673006 1121910371 /nfs/dbraw/zinc/91/03/71/1121910371.db2.gz ZUTOWYPKQKEOKS-UHFFFAOYSA-N 0 1 291.391 3.846 20 0 CHADMN Cc1c2ccccc2oc1[C@H](NCc1cnn(C)c1)C(C)C ZINC000069878239 1121916575 /nfs/dbraw/zinc/91/65/75/1121916575.db2.gz MNVMRONQQJMSAW-QGZVFWFLSA-N 0 1 297.402 3.962 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1Cc1ccc(F)cn1 ZINC000345789109 1121916823 /nfs/dbraw/zinc/91/68/23/1121916823.db2.gz GEJGAPOPTDUSFF-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN CCc1ccccc1CN(C)C1(C(=O)OC)CCCCC1 ZINC001179892317 1121918759 /nfs/dbraw/zinc/91/87/59/1121918759.db2.gz BWVUOQFUNZLFKV-UHFFFAOYSA-N 0 1 289.419 3.557 20 0 CHADMN Oc1ccc2c(c1)CN(CCSC1CCCCC1)CC2 ZINC000501038127 1121946636 /nfs/dbraw/zinc/94/66/36/1121946636.db2.gz SEYUAGGFSHWYFH-UHFFFAOYSA-N 0 1 291.460 3.816 20 0 CHADMN c1cnc2cc(CN[C@H]3CCCc4cccnc43)ccc2c1 ZINC000631685089 1129022112 /nfs/dbraw/zinc/02/21/12/1129022112.db2.gz XHSUSIVHMPFESO-KRWDZBQOSA-N 0 1 289.382 3.797 20 0 CHADMN CC(C)C[C@@H]1CCCN1Cc1noc(-c2ccccc2)n1 ZINC000501084293 1121953023 /nfs/dbraw/zinc/95/30/23/1121953023.db2.gz FEIMVTSFJSQCQQ-HNNXBMFYSA-N 0 1 285.391 3.747 20 0 CHADMN Cc1cc(CN(C)C2CCC2)c(Br)cc1F ZINC001180120591 1121955116 /nfs/dbraw/zinc/95/51/16/1121955116.db2.gz JWXPCLOVFNTRCN-UHFFFAOYSA-N 0 1 286.188 3.881 20 0 CHADMN CCc1ncc(CN2CC[C@@H](C)[C@H]2c2cccc(F)c2)cn1 ZINC000414419504 1121957825 /nfs/dbraw/zinc/95/78/25/1121957825.db2.gz ZTNNGOHCQVDRLW-ACJLOTCBSA-N 0 1 299.393 3.761 20 0 CHADMN Clc1ccsc1CSCc1n[nH]c(C2CC2)n1 ZINC000419595332 1121958360 /nfs/dbraw/zinc/95/83/60/1121958360.db2.gz OWAPZEYJMHANIK-UHFFFAOYSA-N 0 1 285.825 3.830 20 0 CHADMN CCCOc1ccc(CN2C[C@@H](CC)O[C@@H](C)C2)c(C)c1 ZINC001180279943 1121975235 /nfs/dbraw/zinc/97/52/35/1121975235.db2.gz FARFOYNXUSGJGR-DOTOQJQBSA-N 0 1 291.435 3.783 20 0 CHADMN C[C@@]1(F)CCN(CCc2cccc(OC(F)(F)F)c2)C1 ZINC000501414491 1121976175 /nfs/dbraw/zinc/97/61/75/1121976175.db2.gz ALMUTIIZAAXBCZ-CYBMUJFWSA-N 0 1 291.288 3.562 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cnc(C)s2)cc1O ZINC000631708256 1129022379 /nfs/dbraw/zinc/02/23/79/1129022379.db2.gz NHDBEPKHXWWTHJ-ZJUUUORDSA-N 0 1 292.404 3.578 20 0 CHADMN CC[C@@H]1C[C@H](N[C@H](C)c2nc3ccccc3s2)CO1 ZINC000688522616 1129022396 /nfs/dbraw/zinc/02/23/96/1129022396.db2.gz GCLJDPKXJNYTLM-GRYCIOLGSA-N 0 1 276.405 3.514 20 0 CHADMN CO[C@H](CNCc1ccc2ccccc2c1)C(F)(F)F ZINC000733329275 1121978130 /nfs/dbraw/zinc/97/81/30/1121978130.db2.gz BLAQRDHMVNKRPA-CQSZACIVSA-N 0 1 283.293 3.507 20 0 CHADMN COC[C@H](NC/C(C)=C\c1ccccc1)c1ccc(C)o1 ZINC000501450059 1121980553 /nfs/dbraw/zinc/98/05/53/1121980553.db2.gz LDNATJKGFOFWID-IFCKCIONSA-N 0 1 285.387 3.969 20 0 CHADMN Cc1occc1C[N@@H+]1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000414438209 1121980684 /nfs/dbraw/zinc/98/06/84/1121980684.db2.gz VAJRETFVYKMXKE-SKDRFNHKSA-N 0 1 261.287 3.751 20 0 CHADMN Cc1occc1CN1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000414438209 1121980693 /nfs/dbraw/zinc/98/06/93/1121980693.db2.gz VAJRETFVYKMXKE-SKDRFNHKSA-N 0 1 261.287 3.751 20 0 CHADMN CCc1ncc(CN2CCC[C@@H]2/C=C/c2ccccc2)cn1 ZINC000414438479 1121981270 /nfs/dbraw/zinc/98/12/70/1121981270.db2.gz VHOXENLFWCEQSI-DOJUMQAQSA-N 0 1 293.414 3.717 20 0 CHADMN CC(C)[C@H]1CN(Cc2cccc(-c3ccncc3)c2)CCO1 ZINC000353161382 1121981669 /nfs/dbraw/zinc/98/16/69/1121981669.db2.gz CUJCSPZGERLXNE-LJQANCHMSA-N 0 1 296.414 3.605 20 0 CHADMN Cc1ncc([C@H](C)N[C@H]2CCCc3ccc(O)cc32)s1 ZINC000631707588 1129022986 /nfs/dbraw/zinc/02/29/86/1129022986.db2.gz IUJNPAHVEPPZJV-BONVTDFDSA-N 0 1 288.416 3.885 20 0 CHADMN COCc1ccc([C@@H]2CCCN2Cc2ccoc2C)o1 ZINC000414440549 1121986292 /nfs/dbraw/zinc/98/62/92/1121986292.db2.gz YMPCKCRBHPXIFP-HNNXBMFYSA-N 0 1 275.348 3.665 20 0 CHADMN C[C@H]1Cc2cc(C[N@H+]3CCc4sccc4C3)ccc2O1 ZINC001180513445 1121992569 /nfs/dbraw/zinc/99/25/69/1121992569.db2.gz HQKNNEYLRACHGR-LBPRGKRZSA-N 0 1 285.412 3.630 20 0 CHADMN C[C@H]1Cc2cc(CN3CCc4sccc4C3)ccc2O1 ZINC001180513445 1121992575 /nfs/dbraw/zinc/99/25/75/1121992575.db2.gz HQKNNEYLRACHGR-LBPRGKRZSA-N 0 1 285.412 3.630 20 0 CHADMN Cc1ccc(CNCc2ccc(CC(F)(F)F)cc2)o1 ZINC000631241978 1121992962 /nfs/dbraw/zinc/99/29/62/1121992962.db2.gz ADNDKYOUSICTOR-UHFFFAOYSA-N 0 1 283.293 3.983 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153181575 1129023674 /nfs/dbraw/zinc/02/36/74/1129023674.db2.gz LQSNSQBDSVXOLS-SDDRHHMPSA-N 0 1 289.404 3.591 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000153181575 1129023677 /nfs/dbraw/zinc/02/36/77/1129023677.db2.gz LQSNSQBDSVXOLS-SDDRHHMPSA-N 0 1 289.404 3.591 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cc3c(s2)CCC3)o1 ZINC000631728482 1129024031 /nfs/dbraw/zinc/02/40/31/1129024031.db2.gz QCABYKYVYNSZHH-NSHDSACASA-N 0 1 261.390 3.989 20 0 CHADMN Fc1cccc(CN[C@@H](c2cccnc2)C2CCC2)c1F ZINC000631727021 1129024380 /nfs/dbraw/zinc/02/43/80/1129024380.db2.gz YASUSISFRMOCJA-QGZVFWFLSA-N 0 1 288.341 3.991 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000501784276 1122007249 /nfs/dbraw/zinc/00/72/49/1122007249.db2.gz FAUPHKVMCWOLPM-YPMHNXCESA-N 0 1 294.826 3.565 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1CC[C@@H](C)[C@@H](C)C1 ZINC000501784276 1122007253 /nfs/dbraw/zinc/00/72/53/1122007253.db2.gz FAUPHKVMCWOLPM-YPMHNXCESA-N 0 1 294.826 3.565 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000501787379 1122007936 /nfs/dbraw/zinc/00/79/36/1122007936.db2.gz WPGCQHUOMYRVHD-KBMXLJTQSA-N 0 1 288.435 3.608 20 0 CHADMN CN(Cc1cc2c(cccc2O)s1)Cc1cccnc1 ZINC001180723702 1122012626 /nfs/dbraw/zinc/01/26/26/1122012626.db2.gz NNEFLHIAXYBHRA-UHFFFAOYSA-N 0 1 284.384 3.634 20 0 CHADMN C[C@H]1CC(c2noc(C34CCCN3CCC4)n2)C[C@H](C)C1 ZINC000420490167 1122013651 /nfs/dbraw/zinc/01/36/51/1122013651.db2.gz JMJCWBNKWZPOAR-CHWSQXEVSA-N 0 1 289.423 3.694 20 0 CHADMN Cc1occc1CN1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000414461247 1122022989 /nfs/dbraw/zinc/02/29/89/1122022989.db2.gz DFKWBHGNVCGJBI-SKDRFNHKSA-N 0 1 261.287 3.751 20 0 CHADMN C[C@H](CC1CCC1)N[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000631738046 1129025836 /nfs/dbraw/zinc/02/58/36/1129025836.db2.gz DJSNDLPRNQZFEJ-ACJLOTCBSA-N 0 1 299.393 3.873 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)o1 ZINC000414479334 1122044239 /nfs/dbraw/zinc/04/42/39/1122044239.db2.gz ADUDJPGEGNMFBA-LFVTVUPYSA-N 0 1 297.398 3.711 20 0 CHADMN CCc1noc(C)c1CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420951852 1122048037 /nfs/dbraw/zinc/04/80/37/1122048037.db2.gz RFSRFRJLEYJFRB-NSHDSACASA-N 0 1 290.329 3.710 20 0 CHADMN CCCc1ccc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)s1 ZINC001181374521 1122050767 /nfs/dbraw/zinc/05/07/67/1122050767.db2.gz ZDDKUFGRFLUZHV-MLGOLLRUSA-N 0 1 279.449 3.700 20 0 CHADMN Cc1[nH]nc(CN2C[C@H](C(C)C)c3ccccc32)c1C ZINC001181372223 1122051365 /nfs/dbraw/zinc/05/13/65/1122051365.db2.gz GTQBYZOTEYAKIH-OAHLLOKOSA-N 0 1 269.392 3.786 20 0 CHADMN Cc1cccnc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420943208 1122053707 /nfs/dbraw/zinc/05/37/07/1122053707.db2.gz HYUITUARQDPTQO-GFCCVEGCSA-N 0 1 272.314 3.554 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631756884 1129028261 /nfs/dbraw/zinc/02/82/61/1129028261.db2.gz QRJVSLPHIRGPMR-MVWJERBFSA-N 0 1 273.298 3.605 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@H](CCO)CC1 ZINC000421009177 1122054751 /nfs/dbraw/zinc/05/47/51/1122054751.db2.gz FAFGGZCVYMVYRX-KGLIPLIRSA-N 0 1 294.439 3.518 20 0 CHADMN CC(C)N(CC(=O)N1CCCCC1)[C@H](C)c1ccsc1 ZINC000421010357 1122055072 /nfs/dbraw/zinc/05/50/72/1122055072.db2.gz OARYVNXFQNFWGY-CQSZACIVSA-N 0 1 294.464 3.532 20 0 CHADMN C[C@H]1COC(C)(C)CN1Cc1cc2c(cccc2O)s1 ZINC001181445997 1122055887 /nfs/dbraw/zinc/05/58/87/1122055887.db2.gz VHSMXISCFRXKMS-NSHDSACASA-N 0 1 291.416 3.606 20 0 CHADMN Fc1cncc(CN[C@@H](CC(F)F)c2ccccc2)c1 ZINC000420990164 1122057322 /nfs/dbraw/zinc/05/73/22/1122057322.db2.gz DSOUZKBSYOSVPN-AWEZNQCLSA-N 0 1 280.293 3.707 20 0 CHADMN Clc1ccc(CN2CC[C@]23CCOC3)c2ccccc12 ZINC000421028209 1122060429 /nfs/dbraw/zinc/06/04/29/1122060429.db2.gz WHJAGJAROZPMDN-QGZVFWFLSA-N 0 1 287.790 3.858 20 0 CHADMN CC1(C)[C@H](c2ccccc2)CCN1Cc1nc(C2CC2)no1 ZINC000421022498 1122065165 /nfs/dbraw/zinc/06/51/65/1122065165.db2.gz QJHAPWOHNQBWAS-HNNXBMFYSA-N 0 1 297.402 3.715 20 0 CHADMN CSc1cc(NCc2cn[nH]c2C)ccc1Cl ZINC000414494691 1122068471 /nfs/dbraw/zinc/06/84/71/1122068471.db2.gz APIQWLLNLHANGM-UHFFFAOYSA-N 0 1 267.785 3.706 20 0 CHADMN Cc1cccc2nc(NC(=O)[C@H]3CCc4ccccc43)[nH]c21 ZINC001181756041 1122075713 /nfs/dbraw/zinc/07/57/13/1122075713.db2.gz MSEQEMGXUMXGFK-AWEZNQCLSA-N 0 1 291.354 3.540 20 0 CHADMN CCCOc1ccc(CN2CC3(C2)C[C@H](F)CS3)cc1 ZINC001204307446 1122079830 /nfs/dbraw/zinc/07/98/30/1122079830.db2.gz KDEYDXVTCNMEEK-AWEZNQCLSA-N 0 1 295.423 3.505 20 0 CHADMN CC(C)C(CNCc1nccc(C(F)(F)F)n1)C(C)C ZINC000414506207 1122085018 /nfs/dbraw/zinc/08/50/18/1122085018.db2.gz MYZWHJNBDSGPNJ-UHFFFAOYSA-N 0 1 289.345 3.513 20 0 CHADMN CCC1(CC)C[C@H]1C(=O)Nc1nc2cccc(C)c2[nH]1 ZINC001181878683 1122087857 /nfs/dbraw/zinc/08/78/57/1122087857.db2.gz MNSHCKNDYPKNTN-NSHDSACASA-N 0 1 271.364 3.636 20 0 CHADMN Cc1c(Cl)c(CN2CCC[C@@H]2C2CCCC2)nn1C ZINC000421319186 1122093356 /nfs/dbraw/zinc/09/33/56/1122093356.db2.gz KXSCNPIYBYEMKE-CQSZACIVSA-N 0 1 281.831 3.537 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN(C(C)C)C1COC1 ZINC001181987721 1122102276 /nfs/dbraw/zinc/10/22/76/1122102276.db2.gz UEWSAMNDGKZNME-UHFFFAOYSA-N 0 1 287.325 3.623 20 0 CHADMN FC(F)(F)C[C@H]1CCCN(C/C=C\c2ccncc2)C1 ZINC000421385514 1122108252 /nfs/dbraw/zinc/10/82/52/1122108252.db2.gz GQILVEUKWBCZOG-NPPUXFBVSA-N 0 1 284.325 3.759 20 0 CHADMN CCc1cccc(F)c1CNCc1cc(C)nc(C)c1 ZINC000421383310 1122108565 /nfs/dbraw/zinc/10/85/65/1122108565.db2.gz NWYUPODTJZVJJT-UHFFFAOYSA-N 0 1 272.367 3.690 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](CC(F)(F)F)C2)o1 ZINC000421387884 1122110114 /nfs/dbraw/zinc/11/01/14/1122110114.db2.gz JGYFVOQDGJECGC-NSHDSACASA-N 0 1 261.287 3.752 20 0 CHADMN CC(C)[C@@H]1N(Cc2nc3cc(F)ccc3o2)CC1(C)C ZINC001182100774 1122113618 /nfs/dbraw/zinc/11/36/18/1122113618.db2.gz VVFGMCGMTQLUDT-HNNXBMFYSA-N 0 1 276.355 3.833 20 0 CHADMN COC(=O)c1cc(CN2CC(C3CCCCC3)C2)cs1 ZINC001182216929 1122122630 /nfs/dbraw/zinc/12/26/30/1122122630.db2.gz WRXDTLDJWWRXMZ-UHFFFAOYSA-N 0 1 293.432 3.547 20 0 CHADMN COc1cccc2cc([C@H](C)N[C@@H](C)c3ccnn3C)oc21 ZINC000774110083 1122128818 /nfs/dbraw/zinc/12/88/18/1122128818.db2.gz OATBVWSLNWKCND-RYUDHWBXSA-N 0 1 299.374 3.587 20 0 CHADMN CC(C)(C)c1nc(CN2C[C@@H]3CCC[C@@H]3C2)cs1 ZINC000153357011 1129034058 /nfs/dbraw/zinc/03/40/58/1129034058.db2.gz CVJFQRCNYSUQRU-TXEJJXNPSA-N 0 1 264.438 3.673 20 0 CHADMN Cc1cccc(CN(C)C/C=C/c2cccc(F)c2)n1 ZINC001182387529 1122150291 /nfs/dbraw/zinc/15/02/91/1122150291.db2.gz GWLGFMRGOZOVKW-VMPITWQZSA-N 0 1 270.351 3.674 20 0 CHADMN C[C@@H](NCCc1ccc(C(C)(C)C)cc1)c1csnn1 ZINC000414549513 1122151112 /nfs/dbraw/zinc/15/11/12/1122151112.db2.gz LJTHSPCFIOILQU-GFCCVEGCSA-N 0 1 289.448 3.729 20 0 CHADMN CCC[C@H](Cc1ccccc1)N[C@H](C)c1csnn1 ZINC000414556245 1122157359 /nfs/dbraw/zinc/15/73/59/1122157359.db2.gz YBHPQVOJFKXNMU-TZMCWYRMSA-N 0 1 275.421 3.600 20 0 CHADMN CC1(CNCc2nnc(C3CC3)s2)CCCCCC1 ZINC000414559066 1122160477 /nfs/dbraw/zinc/16/04/77/1122160477.db2.gz UFPCTMCHBSJVPN-UHFFFAOYSA-N 0 1 279.453 3.866 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000263396550 1129035759 /nfs/dbraw/zinc/03/57/59/1129035759.db2.gz ZLAFLENFPHWQIV-YHNBSYBMSA-N 0 1 295.467 3.882 20 0 CHADMN Cc1cc([C@@H](NCc2cccc(F)n2)C2CC2)ccc1F ZINC000774465100 1122166843 /nfs/dbraw/zinc/16/68/43/1122166843.db2.gz ZWLVPTCRNICXHY-KRWDZBQOSA-N 0 1 288.341 3.909 20 0 CHADMN CC(C)=CCC[C@@H](C)CCNCc1ncnn1C(C)(C)C ZINC000503115282 1122168693 /nfs/dbraw/zinc/16/86/93/1122168693.db2.gz CSVXROSSCMWCTI-OAHLLOKOSA-N 0 1 292.471 3.895 20 0 CHADMN Cc1ccc2c(c1C)OC[C@H]2N[C@@H](C)c1cccc(CO)c1 ZINC000271874410 1122180541 /nfs/dbraw/zinc/18/05/41/1122180541.db2.gz HBFVMZSVSLVNQW-KBXCAEBGSA-N 0 1 297.398 3.580 20 0 CHADMN Cc1ccc2c(c1C)OC[C@@H]2N[C@H](C)c1cccc(CO)c1 ZINC000271874413 1122180571 /nfs/dbraw/zinc/18/05/71/1122180571.db2.gz HBFVMZSVSLVNQW-KDOFPFPSSA-N 0 1 297.398 3.580 20 0 CHADMN Cc1ccc2c(c1C)OC[C@@H]2N[C@@H](C)c1cccc(CO)c1 ZINC000271874416 1122180577 /nfs/dbraw/zinc/18/05/77/1122180577.db2.gz HBFVMZSVSLVNQW-KSSFIOAISA-N 0 1 297.398 3.580 20 0 CHADMN CCOc1ccc(CN2C[C@@H](CC)OC[C@@H]2CC)c(C)c1 ZINC001182756129 1122184993 /nfs/dbraw/zinc/18/49/93/1122184993.db2.gz WSDRWQIZOMUZPO-DLBZAZTESA-N 0 1 291.435 3.783 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cccc(C)c2C)nc1 ZINC000271995601 1122186237 /nfs/dbraw/zinc/18/62/37/1122186237.db2.gz HBMHCQXPDHYONC-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN C[C@H](NC1(c2ccccc2)CCC1)c1ccc(F)cn1 ZINC000272052417 1122189423 /nfs/dbraw/zinc/18/94/23/1122189423.db2.gz NIOGBBUIMIBXEH-ZDUSSCGKSA-N 0 1 270.351 3.951 20 0 CHADMN CCc1noc(C)c1CN[C@H](c1ccccc1)C1CC1 ZINC000272099858 1122190632 /nfs/dbraw/zinc/19/06/32/1122190632.db2.gz ZITZTKQFINAESA-QGZVFWFLSA-N 0 1 270.376 3.786 20 0 CHADMN COCC[C@H](NCc1ccccc1C)c1ccc(C)o1 ZINC000272136710 1122191083 /nfs/dbraw/zinc/19/10/83/1122191083.db2.gz BCGDBNFFVMMZAD-INIZCTEOSA-N 0 1 273.376 3.764 20 0 CHADMN CCc1ccc(C)nc1NCc1cccc2c1NCCC2 ZINC001182874657 1122192698 /nfs/dbraw/zinc/19/26/98/1122192698.db2.gz TXLDBZNPYKHXSI-UHFFFAOYSA-N 0 1 281.403 3.923 20 0 CHADMN C[C@H](CO)N[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000272231923 1122194551 /nfs/dbraw/zinc/19/45/51/1122194551.db2.gz FBGSGIUFSPOYNY-BDJLRTHQSA-N 0 1 293.769 3.539 20 0 CHADMN CC(C)C1CCC(CN2CCO[C@@](C)(C(F)F)C2)CC1 ZINC001182988566 1122198656 /nfs/dbraw/zinc/19/86/56/1122198656.db2.gz ARYCPCQNGRCOKF-ZBCRRDGASA-N 0 1 289.410 3.805 20 0 CHADMN Clc1ncccc1CN1CCSC2(CCCCC2)C1 ZINC000079504833 1129038068 /nfs/dbraw/zinc/03/80/68/1129038068.db2.gz KLCXGUOSRFVQOR-UHFFFAOYSA-N 0 1 296.867 3.987 20 0 CHADMN CN(Cc1nccs1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000272403345 1122201466 /nfs/dbraw/zinc/20/14/66/1122201466.db2.gz ZOUFVNQEMGYZLS-GJZGRUSLSA-N 0 1 272.417 3.911 20 0 CHADMN CC[C@H](CC(=O)Nc1c(C)n[nH]c1C(F)F)C(C)C ZINC000272505158 1122204876 /nfs/dbraw/zinc/20/48/76/1122204876.db2.gz WMLYREFJDVIMJA-SECBINFHSA-N 0 1 273.327 3.667 20 0 CHADMN COCC[C@H](N[C@@H]1CCc2ccccc21)c1ccc(C)o1 ZINC000272688948 1122209765 /nfs/dbraw/zinc/20/97/65/1122209765.db2.gz WSYYBVJOKVTAIU-SJORKVTESA-N 0 1 285.387 3.943 20 0 CHADMN C[C@@H](NCc1ccc(SC(F)F)cc1)c1cn[nH]c1 ZINC000272722358 1122211436 /nfs/dbraw/zinc/21/14/36/1122211436.db2.gz KBYZGBJMKOUSRA-SECBINFHSA-N 0 1 283.347 3.575 20 0 CHADMN COC1(CN2CCc3c(cccc3C(F)(F)F)C2)CCC1 ZINC001183227243 1122212851 /nfs/dbraw/zinc/21/28/51/1122212851.db2.gz PPDBZMHNORVKSZ-UHFFFAOYSA-N 0 1 299.336 3.633 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc(C)sc2C)nc1 ZINC000273191518 1122223560 /nfs/dbraw/zinc/22/35/60/1122223560.db2.gz CWHGXLCGNODRFM-NSHDSACASA-N 0 1 276.405 3.619 20 0 CHADMN O[C@H](CN1CC2(C1)CCCCC2)c1ccc(F)cc1Cl ZINC000774645605 1122228483 /nfs/dbraw/zinc/22/84/83/1122228483.db2.gz FHKFKTGADOYHPI-OAHLLOKOSA-N 0 1 297.801 3.779 20 0 CHADMN Cc1ncoc1CN[C@H](CC1CC1)c1ccccc1 ZINC000894269553 1122233048 /nfs/dbraw/zinc/23/30/48/1122233048.db2.gz SYGAGXDITFHDGR-OAHLLOKOSA-N 0 1 256.349 3.614 20 0 CHADMN c1cc(CNc2ccc3c(n2)CCCC3)c2c(c1)CCCN2 ZINC001183671891 1122234308 /nfs/dbraw/zinc/23/43/08/1122234308.db2.gz JAUITMYYHBFHMS-UHFFFAOYSA-N 0 1 293.414 3.931 20 0 CHADMN CC[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccc(Cl)s1 ZINC000273505309 1122236103 /nfs/dbraw/zinc/23/61/03/1122236103.db2.gz NJENTMYSNZMUHH-SECBINFHSA-N 0 1 296.827 3.638 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2OC[C@@H]1F)C1CCCC1 ZINC001183787766 1122238439 /nfs/dbraw/zinc/23/84/39/1122238439.db2.gz DLXZEMBMPSDZSO-HZUKXOBISA-N 0 1 263.356 3.627 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3c(Cl)cccc32)on1 ZINC000273557822 1122239149 /nfs/dbraw/zinc/23/91/49/1122239149.db2.gz HIKLIUSBPMIXBY-OAHLLOKOSA-N 0 1 276.767 3.804 20 0 CHADMN [O-]c1cc(F)c(CC[NH2+][C@@H]2CCC23CCCC3)c(F)c1 ZINC001183972380 1122249687 /nfs/dbraw/zinc/24/96/87/1122249687.db2.gz QNWGFHPXMMQMSX-OAHLLOKOSA-N 0 1 281.346 3.525 20 0 CHADMN Cn1cccc1CN1CCC(c2ccc(F)cc2F)CC1 ZINC001203270722 1122254863 /nfs/dbraw/zinc/25/48/63/1122254863.db2.gz NRFDPUDHYVHRPH-UHFFFAOYSA-N 0 1 290.357 3.683 20 0 CHADMN Cc1noc(C)c1CN[C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503377758 1122259262 /nfs/dbraw/zinc/25/92/62/1122259262.db2.gz ONBOVQATZALIOK-QLJPJBMISA-N 0 1 290.794 3.970 20 0 CHADMN COCC[N@H+](Cc1cccc([O-])c1Cl)[C@@H]1CC[C@@H](C)C1 ZINC000353181480 1122259923 /nfs/dbraw/zinc/25/99/23/1122259923.db2.gz MEEYTGZXXMBTCM-TZMCWYRMSA-N 0 1 297.826 3.683 20 0 CHADMN COCC[N@@H+](Cc1cccc([O-])c1Cl)[C@@H]1CC[C@@H](C)C1 ZINC000353181480 1122259929 /nfs/dbraw/zinc/25/99/29/1122259929.db2.gz MEEYTGZXXMBTCM-TZMCWYRMSA-N 0 1 297.826 3.683 20 0 CHADMN CC(C)CCN1CCc2c(Br)cccc2C1 ZINC000503537304 1122266050 /nfs/dbraw/zinc/26/60/50/1122266050.db2.gz PGVHYXCIMLDWTP-UHFFFAOYSA-N 0 1 282.225 3.853 20 0 CHADMN Cc1nccc(N(C)CC2(O)CCCCCC2)c1Cl ZINC000503556339 1122266517 /nfs/dbraw/zinc/26/65/17/1122266517.db2.gz CGOAYTWPMMJVON-UHFFFAOYSA-N 0 1 282.815 3.565 20 0 CHADMN CC[C@]1(C)CCC[C@H]1NCC(F)(F)C1(O)CCCCC1 ZINC001184275508 1122268198 /nfs/dbraw/zinc/26/81/98/1122268198.db2.gz APBLCZPKKHJNHU-ZIAGYGMSSA-N 0 1 289.410 3.875 20 0 CHADMN Cc1ccc(CN2CC=C(c3ccccc3)CC2)nc1 ZINC000153457887 1122269846 /nfs/dbraw/zinc/26/98/46/1122269846.db2.gz MKUTYDZOGGDVCS-UHFFFAOYSA-N 0 1 264.372 3.679 20 0 CHADMN C[C@@H]1CN(Cc2c(Cl)ccnc2F)[C@H]2CCCC[C@H]12 ZINC001204960927 1122271328 /nfs/dbraw/zinc/27/13/28/1122271328.db2.gz LOFMWEMUXUSULZ-GYSYKLTISA-N 0 1 282.790 3.885 20 0 CHADMN FC[C@@H]1CCCN(Cc2ccccc2Br)C1 ZINC000711511113 1122298144 /nfs/dbraw/zinc/29/81/44/1122298144.db2.gz VTZSUJXUUPQZDL-NSHDSACASA-N 0 1 286.188 3.631 20 0 CHADMN Cc1ccc(CNc2ccncc2C(F)(F)F)s1 ZINC001184885784 1122300138 /nfs/dbraw/zinc/30/01/38/1122300138.db2.gz ZMUFIYRTNGEZIC-UHFFFAOYSA-N 0 1 272.295 3.504 20 0 CHADMN CCOc1cc(C)ccc1CN1C[C@@H](C)C[C@H]1CF ZINC001250171167 1122300236 /nfs/dbraw/zinc/30/02/36/1122300236.db2.gz HIPXMLJCQBQRIF-ZFWWWQNUSA-N 0 1 265.372 3.574 20 0 CHADMN CC[C@H](CSC)N(C)Cc1ccc(C)nc1Cl ZINC000688566312 1129046041 /nfs/dbraw/zinc/04/60/41/1129046041.db2.gz MNDXADSIAZRAOR-GFCCVEGCSA-N 0 1 272.845 3.617 20 0 CHADMN C[C@@H](NCc1nc(C(C)(C)C)cs1)C1(Cl)CC1 ZINC000924970786 1122312544 /nfs/dbraw/zinc/31/25/44/1122312544.db2.gz UDYYUMASUNGSJN-SECBINFHSA-N 0 1 272.845 3.690 20 0 CHADMN C[C@@]1(CCNc2cc[nH+]c3c([O-])cccc23)CC1(F)F ZINC000664400591 1122342742 /nfs/dbraw/zinc/34/27/42/1122342742.db2.gz ZBABBSBZALLSHT-CQSZACIVSA-N 0 1 278.302 3.788 20 0 CHADMN CCc1nc(CN([C@@H](C)C(C)C)C2CC2)cs1 ZINC000505231949 1122349794 /nfs/dbraw/zinc/34/97/94/1122349794.db2.gz UTXXWKAAWABSPT-NSHDSACASA-N 0 1 252.427 3.714 20 0 CHADMN CC(C)Cc1ncc(CN(C)Cc2ccccc2)s1 ZINC000505254324 1122352399 /nfs/dbraw/zinc/35/23/99/1122352399.db2.gz LVXRFTUMTFJXCP-UHFFFAOYSA-N 0 1 274.433 3.974 20 0 CHADMN C[C@@H]1CC(C)(C)CC[C@H]1Nc1nc(Cl)nc2[nH]cnc21 ZINC001185620540 1122353556 /nfs/dbraw/zinc/35/35/56/1122353556.db2.gz KTTQBGVBCWCBII-RKDXNWHRSA-N 0 1 293.802 3.633 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1ccnc(Cl)c1F ZINC000824395415 1122400748 /nfs/dbraw/zinc/40/07/48/1122400748.db2.gz FVCQYPRTVPJTKZ-GXSJLCMTSA-N 0 1 256.752 3.637 20 0 CHADMN COc1ccc(OC(F)F)c(CN2CCC[C@H](C)C2)c1 ZINC000505318988 1122357441 /nfs/dbraw/zinc/35/74/41/1122357441.db2.gz FCRNLGVVXRUYPZ-NSHDSACASA-N 0 1 285.334 3.529 20 0 CHADMN CCOc1c(Cl)cc(CN2CCC[C@@H](C)C2)cc1OC ZINC000505336626 1122357732 /nfs/dbraw/zinc/35/77/32/1122357732.db2.gz CSGSRLLLSJWGEC-GFCCVEGCSA-N 0 1 297.826 3.979 20 0 CHADMN CN1Cc2ccccc2[C@H](Nc2nc3ccc(F)cc3o2)C1 ZINC001186021948 1122372653 /nfs/dbraw/zinc/37/26/53/1122372653.db2.gz IRKYHTMCHYSDNO-OAHLLOKOSA-N 0 1 297.333 3.566 20 0 CHADMN Cc1cccnc1CN[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000154619699 1122376113 /nfs/dbraw/zinc/37/61/13/1122376113.db2.gz DQCRELPEEIXKLE-UGSOOPFHSA-N 0 1 284.378 3.942 20 0 CHADMN Cn1c2cc(Cl)ccc2nc1CN1CCC(C)(C)CC1 ZINC000514104416 1122377687 /nfs/dbraw/zinc/37/76/87/1122377687.db2.gz JNOYINRALAPGNX-UHFFFAOYSA-N 0 1 291.826 3.849 20 0 CHADMN CCc1cc(C(=O)N2CC(C)(C)C[C@@H]2c2ccccc2)n[nH]1 ZINC000425121850 1122387690 /nfs/dbraw/zinc/38/76/90/1122387690.db2.gz QDKCXXCDUADKQE-MRXNPFEDSA-N 0 1 297.402 3.586 20 0 CHADMN CCCN(CCC)Cc1nc(-c2cccc(C)c2)no1 ZINC000514208070 1122389157 /nfs/dbraw/zinc/38/91/57/1122389157.db2.gz JDBRVEKAXGEWLE-UHFFFAOYSA-N 0 1 273.380 3.667 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2cccc(C(C)(C)C)c2)n1 ZINC000691655471 1122390410 /nfs/dbraw/zinc/39/04/10/1122390410.db2.gz WPGLICJMZKSWLI-CYBMUJFWSA-N 0 1 273.380 3.690 20 0 CHADMN CC1(C)CCN(Cc2ccc(F)c(F)c2)CCS1 ZINC000434688430 1122393747 /nfs/dbraw/zinc/39/37/47/1122393747.db2.gz LXWBOOPSZJWBHA-UHFFFAOYSA-N 0 1 271.376 3.682 20 0 CHADMN CC1(C)CCN(Cc2cccc(F)c2F)CCS1 ZINC000434706872 1122395338 /nfs/dbraw/zinc/39/53/38/1122395338.db2.gz OSLFXWWTIHOOTI-UHFFFAOYSA-N 0 1 271.376 3.682 20 0 CHADMN Cc1cccc(CN(C)Cc2c[nH]nc2C(C)(C)C)c1C ZINC000430094038 1122402128 /nfs/dbraw/zinc/40/21/28/1122402128.db2.gz IBKXLGIZYUKABT-UHFFFAOYSA-N 0 1 285.435 3.956 20 0 CHADMN FCCCCSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000505502689 1122406401 /nfs/dbraw/zinc/40/64/01/1122406401.db2.gz ZDRPTUKRCKUVGA-UHFFFAOYSA-N 0 1 287.310 3.592 20 0 CHADMN Cc1cnc(CN2CC[C@](C)(c3ccc(C)cc3)C2)s1 ZINC000434743456 1122408973 /nfs/dbraw/zinc/40/89/73/1122408973.db2.gz FEKFBPFXPCZFRF-KRWDZBQOSA-N 0 1 286.444 3.924 20 0 CHADMN CC(C)c1ccc(C(=O)NCc2ccc3nc[nH]c3c2)cc1 ZINC000074998439 1122410276 /nfs/dbraw/zinc/41/02/76/1122410276.db2.gz VWYISVGJHKYFKJ-UHFFFAOYSA-N 0 1 293.370 3.616 20 0 CHADMN C[C@H](C(=O)OC(C)(C)C)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434893220 1122418696 /nfs/dbraw/zinc/41/86/96/1122418696.db2.gz ACIYHBMKCMRHAA-LZWOXQAQSA-N 0 1 289.419 3.595 20 0 CHADMN CCOc1ccccc1CN(CCOC)Cc1ccccc1 ZINC000505583968 1122424745 /nfs/dbraw/zinc/42/47/45/1122424745.db2.gz BVPSSRBWDLYSIX-UHFFFAOYSA-N 0 1 299.414 3.734 20 0 CHADMN COCc1cccc(CN[C@H](C)c2cc(C)c(C)o2)c1 ZINC000282278584 1122424759 /nfs/dbraw/zinc/42/47/59/1122424759.db2.gz RPHCSHWFVBRCQL-CYBMUJFWSA-N 0 1 273.376 3.894 20 0 CHADMN CCCn1nc(C)c(CN2CC[C@@H]2c2ccccc2)c1C ZINC000434984923 1122426963 /nfs/dbraw/zinc/42/69/63/1122426963.db2.gz DEPZUDBXBUVIAF-GOSISDBHSA-N 0 1 283.419 3.857 20 0 CHADMN C[C@@H](CC(=O)[O-])[N@@H+](C)Cc1ccc(C2CCCC2)cc1 ZINC000514617159 1122433877 /nfs/dbraw/zinc/43/38/77/1122433877.db2.gz SSZPVXTZHADLQW-ZDUSSCGKSA-N 0 1 275.392 3.639 20 0 CHADMN CCc1ccccc1NC(=O)Nc1c(O)cc(F)cc1F ZINC001187637980 1122435698 /nfs/dbraw/zinc/43/56/98/1122435698.db2.gz VIRWOKQUSVWGHZ-UHFFFAOYSA-N 0 1 292.285 3.877 20 0 CHADMN CC[C@H]1CO[C@@H](C)CN1Cc1cccc(-c2cccnc2)c1 ZINC000505608905 1122436061 /nfs/dbraw/zinc/43/60/61/1122436061.db2.gz MKMVRVSTULNGEE-KXBFYZLASA-N 0 1 296.414 3.748 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1C/C(C)=C\c1ccccc1 ZINC000505609694 1122437137 /nfs/dbraw/zinc/43/71/37/1122437137.db2.gz IXSRLZWIOLKOIV-PVLDGPILSA-N 0 1 259.393 3.589 20 0 CHADMN CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000505616631 1122439501 /nfs/dbraw/zinc/43/95/01/1122439501.db2.gz WRMRYDYWQSBXGK-DNVCBOLYSA-N 0 1 296.414 3.748 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1Cc1cccc(-c2ccncc2)c1 ZINC000505616631 1122439504 /nfs/dbraw/zinc/43/95/04/1122439504.db2.gz WRMRYDYWQSBXGK-DNVCBOLYSA-N 0 1 296.414 3.748 20 0 CHADMN Clc1sccc1CN1CCOC[C@H](C2CCC2)C1 ZINC000430137103 1122440521 /nfs/dbraw/zinc/44/05/21/1122440521.db2.gz VMZXYYXMVRYNHU-CYBMUJFWSA-N 0 1 285.840 3.650 20 0 CHADMN CC[C@@]1(C)CC[N@H+]([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000514728297 1122444151 /nfs/dbraw/zinc/44/41/51/1122444151.db2.gz AIPMAAQQAKLGLV-HIFRSBDPSA-N 0 1 299.773 3.727 20 0 CHADMN Cc1nc2ccccn2c1CN(C)Cc1ccccc1C ZINC000505636549 1122445296 /nfs/dbraw/zinc/44/52/96/1122445296.db2.gz LIERVUJHIKFGMV-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN Cc1ccccc1-c1cc(C(=O)N2[C@H](C)CCC[C@H]2C)n[nH]1 ZINC001187963732 1122447575 /nfs/dbraw/zinc/44/75/75/1122447575.db2.gz MTBXMKLGIJNDNX-ZIAGYGMSSA-N 0 1 297.402 3.788 20 0 CHADMN COCCN(Cc1ccccc1)Cc1cc(F)cc(F)c1 ZINC000505642917 1122448117 /nfs/dbraw/zinc/44/81/17/1122448117.db2.gz XRWVFLXCCGFMGT-UHFFFAOYSA-N 0 1 291.341 3.613 20 0 CHADMN Oc1cccc(CNCc2csc(Br)c2)c1 ZINC000075800474 1122452314 /nfs/dbraw/zinc/45/23/14/1122452314.db2.gz HKJLUKWXXACZAT-UHFFFAOYSA-N 0 1 298.205 3.506 20 0 CHADMN CC(C)n1cncc1CN1CCC[C@@H]1c1ccsc1 ZINC000425320159 1122453246 /nfs/dbraw/zinc/45/32/46/1122453246.db2.gz CAXPWTQOCUYNPR-OAHLLOKOSA-N 0 1 275.421 3.863 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCC[C@@H](C)F)n2)o1 ZINC000505657800 1122455268 /nfs/dbraw/zinc/45/52/68/1122455268.db2.gz HCZORIOPUQLEGF-SSJHQANKSA-N 0 1 281.356 3.717 20 0 CHADMN FCCCCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000505666401 1122459360 /nfs/dbraw/zinc/45/93/60/1122459360.db2.gz WMCRTPHZWFIDGJ-HJWRWDBZSA-N 0 1 277.368 3.817 20 0 CHADMN CCSc1cc(CNCc2cc3cccnc3o2)ccn1 ZINC000514992490 1122468231 /nfs/dbraw/zinc/46/82/31/1122468231.db2.gz LBHPPIWQAPFOQF-UHFFFAOYSA-N 0 1 299.399 3.625 20 0 CHADMN O=C([O-])CC1(C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)CC1 ZINC000515073055 1122475678 /nfs/dbraw/zinc/47/56/78/1122475678.db2.gz DRCGVCFPDWYXHV-MRXNPFEDSA-N 0 1 299.414 3.511 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@@H](C)N1C2CCC1CC2 ZINC000515121713 1122478418 /nfs/dbraw/zinc/47/84/18/1122478418.db2.gz RKBIQYBSNQTGNL-WLYUNCDWSA-N 0 1 286.419 3.764 20 0 CHADMN Cc1nc([C@H](C)Sc2ncc(C(C)C)n2C2CC2)n[nH]1 ZINC001188814231 1122478660 /nfs/dbraw/zinc/47/86/60/1122478660.db2.gz JLMVQROVICVIHI-VIFPVBQESA-N 0 1 291.424 3.621 20 0 CHADMN Cn1ccnc1[C@@H]1CCCN(Cc2cscc2Cl)C1 ZINC000775206136 1122481154 /nfs/dbraw/zinc/48/11/54/1122481154.db2.gz WEEHXIMVVYEFOD-LLVKDONJSA-N 0 1 295.839 3.515 20 0 CHADMN CSc1ccc2nc(-c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000435680543 1122481593 /nfs/dbraw/zinc/48/15/93/1122481593.db2.gz GOALRTWBZXMNNP-UHFFFAOYSA-N 0 1 298.367 3.723 20 0 CHADMN Cc1cnn(CCN2CCC(=Cc3cccc(F)c3)CC2)c1 ZINC000515178550 1122482196 /nfs/dbraw/zinc/48/21/96/1122482196.db2.gz TZXIJWGKLCYRCZ-UHFFFAOYSA-N 0 1 299.393 3.510 20 0 CHADMN Cc1c(F)cccc1NC(=O)Nc1ncc(Cl)cc1O ZINC001189021415 1122485619 /nfs/dbraw/zinc/48/56/19/1122485619.db2.gz MNRAUQQCSJJXFV-UHFFFAOYSA-N 0 1 295.701 3.532 20 0 CHADMN C[C@@H]1CN(CCSCc2ccccc2Cl)C[C@H](C)O1 ZINC001189119854 1122489946 /nfs/dbraw/zinc/48/99/46/1122489946.db2.gz DMCAZQYUJFMCSX-BETUJISGSA-N 0 1 299.867 3.682 20 0 CHADMN Clc1ccnc(Cl)c1Nc1ccc2cncn2c1 ZINC001250323568 1122496076 /nfs/dbraw/zinc/49/60/76/1122496076.db2.gz HEJWVNBNASTGSU-UHFFFAOYSA-N 0 1 279.130 3.780 20 0 CHADMN Cc1c2cc(F)ccc2oc1CN[C@H](C)c1cncnc1C ZINC000515432988 1122499470 /nfs/dbraw/zinc/49/94/70/1122499470.db2.gz NCGLLPAFKHWXSO-LLVKDONJSA-N 0 1 299.349 3.830 20 0 CHADMN Cc1ccccc1CN(Cc1cccc2c1OCO2)C1CC1 ZINC000515471846 1122502270 /nfs/dbraw/zinc/50/22/70/1122502270.db2.gz HEDFVINVKQJQAD-UHFFFAOYSA-N 0 1 295.382 3.888 20 0 CHADMN c1ccc(CCCN2CCO[C@H](c3ccccc3)C2)cc1 ZINC000515546983 1122507734 /nfs/dbraw/zinc/50/77/34/1122507734.db2.gz CGQZGSYWHFBMBI-IBGZPJMESA-N 0 1 281.399 3.693 20 0 CHADMN COc1cc(C)c(NCc2ccc3nc[nH]c3c2)cc1F ZINC000775321619 1122517027 /nfs/dbraw/zinc/51/70/27/1122517027.db2.gz XWUWDZNNZUGDDX-UHFFFAOYSA-N 0 1 285.322 3.631 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1c(C)ccc2ccccc21 ZINC001190126518 1122527515 /nfs/dbraw/zinc/52/75/15/1122527515.db2.gz MMAZTYYIOACGLY-UHFFFAOYSA-N 0 1 279.343 3.686 20 0 CHADMN CC[C@H](OCCN1C[C@H](C)OC[C@@H]1CC)c1ccccc1 ZINC001190341493 1122534104 /nfs/dbraw/zinc/53/41/04/1122534104.db2.gz YVBJIWLUIJBQBY-SZMVWBNQSA-N 0 1 291.435 3.654 20 0 CHADMN C[C@@H]1CCCN(Cc2ccn(-c3ccccc3F)n2)[C@@H]1C ZINC000515764874 1122538747 /nfs/dbraw/zinc/53/87/47/1122538747.db2.gz WJNAIDAERBXXQS-ZIAGYGMSSA-N 0 1 287.382 3.632 20 0 CHADMN CCCCN(C/C=C(\C)C(=O)OC)[C@H](C)c1ccc(C)o1 ZINC001190589360 1122546472 /nfs/dbraw/zinc/54/64/72/1122546472.db2.gz OBPHDTMJPXLFKA-NRMKIYEFSA-N 0 1 293.407 3.870 20 0 CHADMN C[C@@H]1CCCN1Cc1nc2cc(Br)ccc2o1 ZINC000286643254 1122551705 /nfs/dbraw/zinc/55/17/05/1122551705.db2.gz ZYSXAPVBTOZCAZ-SECBINFHSA-N 0 1 295.180 3.575 20 0 CHADMN CCCN(CC(F)F)C[C@H]1CCCC12CCOCC2 ZINC001190691997 1122552720 /nfs/dbraw/zinc/55/27/20/1122552720.db2.gz TVDGIMDFRRETDX-CYBMUJFWSA-N 0 1 275.383 3.560 20 0 CHADMN CC(C)c1nc2n(n1)CCC[C@H]2NC1CC(C(C)(C)C)C1 ZINC000436471101 1122553561 /nfs/dbraw/zinc/55/35/61/1122553561.db2.gz REWGBGSZCZURLO-JXQTWKCFSA-N 0 1 290.455 3.651 20 0 CHADMN CCOc1ccc2nc(SC3CC(OCC)C3)[nH]c2c1 ZINC000436473360 1122553865 /nfs/dbraw/zinc/55/38/65/1122553865.db2.gz HMTOZFOSEGCPOV-UHFFFAOYSA-N 0 1 292.404 3.621 20 0 CHADMN CCCOC(=O)[C@@H](C)N(C)[C@H](c1ccccc1)C(C)C ZINC001190954688 1122563983 /nfs/dbraw/zinc/56/39/83/1122563983.db2.gz MCRFGAYSHINVOS-ZBFHGGJFSA-N 0 1 277.408 3.657 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C[C@H](C)C(C)(C)C)c1 ZINC000436653525 1122567784 /nfs/dbraw/zinc/56/77/84/1122567784.db2.gz APJNUKHCEYZVLT-NSHDSACASA-N 0 1 291.391 3.996 20 0 CHADMN COC(=O)/C(C)=C/CN[C@H](c1ccccc1Cl)C(C)C ZINC000775434600 1122570583 /nfs/dbraw/zinc/57/05/83/1122570583.db2.gz OERMPGPROZNGRZ-RZXPCSSPSA-N 0 1 295.810 3.746 20 0 CHADMN Cc1ccc(CNc2ccc3c(n2)CCCC3)s1 ZINC000712364957 1122575031 /nfs/dbraw/zinc/57/50/31/1122575031.db2.gz UJMGXCQZYCWOGO-UHFFFAOYSA-N 0 1 258.390 3.942 20 0 CHADMN CC(C)c1nc(CN2C3CCC2CC3)c2ccccn21 ZINC000516301030 1122585127 /nfs/dbraw/zinc/58/51/27/1122585127.db2.gz HUCMIGSOHJDZMM-UHFFFAOYSA-N 0 1 269.392 3.585 20 0 CHADMN CCCCNC(=O)CN(CC)Cc1ccc2ccccc2c1 ZINC000516310638 1122588322 /nfs/dbraw/zinc/58/83/22/1122588322.db2.gz BPKPVXFBIVJLGI-UHFFFAOYSA-N 0 1 298.430 3.578 20 0 CHADMN CC(C)c1cc(C(=O)Nc2cc(F)cc(Cl)c2O)on1 ZINC000436906595 1122592600 /nfs/dbraw/zinc/59/26/00/1122592600.db2.gz QVTGQJKKFGXIEK-UHFFFAOYSA-N 0 1 298.701 3.548 20 0 CHADMN Cc1cnc(C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)cn1 ZINC000505898980 1122595880 /nfs/dbraw/zinc/59/58/80/1122595880.db2.gz SMFDMZZZAKCEPH-LJQANCHMSA-N 0 1 293.414 3.827 20 0 CHADMN Cc1cnc(CN(C2CC2)[C@@H]2CCCc3ccccc32)cn1 ZINC000505898980 1122595882 /nfs/dbraw/zinc/59/58/82/1122595882.db2.gz SMFDMZZZAKCEPH-LJQANCHMSA-N 0 1 293.414 3.827 20 0 CHADMN Cn1ccnc1[C@H](N[C@H](c1cccs1)C1CC1)C1CC1 ZINC000638319917 1122600944 /nfs/dbraw/zinc/60/09/44/1122600944.db2.gz SWGMWASOHCGUSS-LSDHHAIUSA-N 0 1 287.432 3.674 20 0 CHADMN C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc(O)c(Cl)c1 ZINC000436985229 1122602557 /nfs/dbraw/zinc/60/25/57/1122602557.db2.gz DPGNSKWFTDDLTO-NXEZZACHSA-N 0 1 281.783 3.600 20 0 CHADMN Cc1ccsc1CN(C)Cc1c(C)nsc1C ZINC000516487871 1122604775 /nfs/dbraw/zinc/60/47/75/1122604775.db2.gz AHHRVQXEGKRUGH-UHFFFAOYSA-N 0 1 266.435 3.762 20 0 CHADMN Fc1ccccc1CN1CCC[C@@H](OC2CCCC2)C1 ZINC001205568069 1122609340 /nfs/dbraw/zinc/60/93/40/1122609340.db2.gz UUCUMGMHSVLQKM-MRXNPFEDSA-N 0 1 277.383 3.749 20 0 CHADMN CC(C)N(C)c1ccccc1CN[C@@H](C)c1cccnc1 ZINC000437074333 1122609862 /nfs/dbraw/zinc/60/98/62/1122609862.db2.gz CJDNFOJXFOMVQH-HNNXBMFYSA-N 0 1 283.419 3.777 20 0 CHADMN Clc1cc2nc(C3CCOCC3)[nH]c2c(Cl)c1 ZINC001250432908 1122610315 /nfs/dbraw/zinc/61/03/15/1122610315.db2.gz CLMSYFMQZODDFN-UHFFFAOYSA-N 0 1 271.147 3.764 20 0 CHADMN CC(C)[C@@H](CC(F)(F)F)N[C@@H](C)c1nccs1 ZINC000437092326 1122611456 /nfs/dbraw/zinc/61/14/56/1122611456.db2.gz ZXJXDNCELFXHCS-DTWKUNHWSA-N 0 1 266.332 3.771 20 0 CHADMN CCC[N@H+](Cc1ncccc1[O-])[C@H]1CCc2ccccc21 ZINC000516558691 1122611779 /nfs/dbraw/zinc/61/17/79/1122611779.db2.gz CIVZYCHOARNQTP-KRWDZBQOSA-N 0 1 282.387 3.687 20 0 CHADMN CCC[N@@H+](Cc1ncccc1[O-])[C@H]1CCc2ccccc21 ZINC000516558691 1122611782 /nfs/dbraw/zinc/61/17/82/1122611782.db2.gz CIVZYCHOARNQTP-KRWDZBQOSA-N 0 1 282.387 3.687 20 0 CHADMN CC(C)CC[C@H]1CCCCN1Cc1nc(CC2CC2)no1 ZINC001191921114 1122621179 /nfs/dbraw/zinc/62/11/79/1122621179.db2.gz ZLSYESVWRIVWHJ-OAHLLOKOSA-N 0 1 291.439 3.813 20 0 CHADMN Cc1nc(CN(Cc2cccs2)c2ccc(C)cc2)n[nH]1 ZINC000794415615 1122621279 /nfs/dbraw/zinc/62/12/79/1122621279.db2.gz WANNDRCLSJRHAA-UHFFFAOYSA-N 0 1 298.415 3.690 20 0 CHADMN CCN1CC[C@H](Oc2cccc(C(F)(F)F)c2Cl)C1 ZINC001225887613 1122622857 /nfs/dbraw/zinc/62/28/57/1122622857.db2.gz CKAVWLWIJIULGF-VIFPVBQESA-N 0 1 293.716 3.832 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N1CCCC[C@@H]1CC1CCC1 ZINC000620571968 1129066922 /nfs/dbraw/zinc/06/69/22/1129066922.db2.gz IQJHNYDBOQNSGK-CQSZACIVSA-N 0 1 297.402 3.748 20 0 CHADMN CCc1ccc(CNCc2nc3ccccc3nc2C)s1 ZINC000638364168 1122625021 /nfs/dbraw/zinc/62/50/21/1122625021.db2.gz WGUDZLHGMXAXCQ-UHFFFAOYSA-N 0 1 297.427 3.852 20 0 CHADMN CC(C)N(CC(=O)Nc1ccc(F)cc1)CC1=CCCC1 ZINC001192148297 1122629826 /nfs/dbraw/zinc/62/98/26/1122629826.db2.gz GCPRYLOSEDTMSG-UHFFFAOYSA-N 0 1 290.382 3.585 20 0 CHADMN CC[C@@H]1CCC[C@H](C)N1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000620574955 1129067460 /nfs/dbraw/zinc/06/74/60/1129067460.db2.gz BKDDGLIQBBWUMX-GXTWGEPZSA-N 0 1 285.391 3.665 20 0 CHADMN CCOc1ccccc1CNCc1c(C)cccc1OC ZINC000638408507 1122641341 /nfs/dbraw/zinc/64/13/41/1122641341.db2.gz ZEBFRAVHDCBYBU-UHFFFAOYSA-N 0 1 285.387 3.692 20 0 CHADMN C[C@@H](CN1CCn2cccc2[C@@H]1C)c1ccc(F)cc1 ZINC000437582041 1122643769 /nfs/dbraw/zinc/64/37/69/1122643769.db2.gz QMTOOKRIOJTSFX-KBPBESRZSA-N 0 1 272.367 3.808 20 0 CHADMN C[C@@H](NCc1cn(C)nc1C(C)(C)C)c1ccc(F)cc1 ZINC000158290525 1122645963 /nfs/dbraw/zinc/64/59/63/1122645963.db2.gz RALXNXPBMKDFJI-GFCCVEGCSA-N 0 1 289.398 3.708 20 0 CHADMN CC(C)N(Cc1noc2c1CC(C)(C)CC2)C(C)C ZINC001192501703 1122648757 /nfs/dbraw/zinc/64/87/57/1122648757.db2.gz PYFKQRAJUGCNIL-UHFFFAOYSA-N 0 1 264.413 3.808 20 0 CHADMN C[C@@H]1CN(CC(=O)c2ccccc2F)[C@@H]2CCCC[C@@H]21 ZINC001192481465 1122650199 /nfs/dbraw/zinc/65/01/99/1122650199.db2.gz MYKVAIRNMSLODM-XJKCOSOUSA-N 0 1 275.367 3.519 20 0 CHADMN C[C@@H]1CCN(CCc2ccc(Cl)cc2)C[C@@H]1F ZINC001192546268 1122652281 /nfs/dbraw/zinc/65/22/81/1122652281.db2.gz LMZRQFDCIHCKJD-RISCZKNCSA-N 0 1 255.764 3.562 20 0 CHADMN CC[C@]1(C)COCCN1C[C@H]1CCC2(CCCCCC2)O1 ZINC001192928181 1122666210 /nfs/dbraw/zinc/66/62/10/1122666210.db2.gz GZGJTSMXPPWLHP-IAGOWNOFSA-N 0 1 295.467 3.759 20 0 CHADMN CC[C@]1(C)COCCN1Cc1ccc2nc(C)ccc2c1 ZINC000437968194 1122666565 /nfs/dbraw/zinc/66/65/65/1122666565.db2.gz CKZIVIHRXFTDMS-GOSISDBHSA-N 0 1 284.403 3.544 20 0 CHADMN C[Si](C)(C)CN1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001193116846 1122677567 /nfs/dbraw/zinc/67/75/67/1122677567.db2.gz DVAUYYDGDGHOIS-AWEZNQCLSA-N 0 1 283.875 3.591 20 0 CHADMN COC(=O)[C@H](NC[C@@H]1CCCC[C@@H]1C)C1CCCCC1 ZINC001193167101 1122679589 /nfs/dbraw/zinc/67/95/89/1122679589.db2.gz WBPZVTWUBUJEAJ-CWRNSKLLSA-N 0 1 281.440 3.524 20 0 CHADMN Cc1ccc2cc(CN3CCOC(C)(C)[C@H]3C)ccc2n1 ZINC000438115306 1122680504 /nfs/dbraw/zinc/68/05/04/1122680504.db2.gz KIRXFIOIFKTNHU-CQSZACIVSA-N 0 1 284.403 3.543 20 0 CHADMN Cc1ccc2cc(CN(C)Cc3cccn3C)ccc2n1 ZINC000438117169 1122680579 /nfs/dbraw/zinc/68/05/79/1122680579.db2.gz FVXZMTGWHLVPDK-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN Cc1ccc2cc(CN3CCOC[C@@H]3CC(C)C)ccc2n1 ZINC000438121870 1122680719 /nfs/dbraw/zinc/68/07/19/1122680719.db2.gz POFOTWIGDAYFBA-SFHVURJKSA-N 0 1 298.430 3.790 20 0 CHADMN C[C@H](NCc1nc(C2CCC2)no1)C1CCCCCC1 ZINC001193260940 1122682388 /nfs/dbraw/zinc/68/23/88/1122682388.db2.gz LUVAYEQWKQGBNB-LBPRGKRZSA-N 0 1 277.412 3.786 20 0 CHADMN O[C@@H](CC1CCCC1)CN1CCc2cc(Cl)ccc2C1 ZINC001193345766 1122684947 /nfs/dbraw/zinc/68/49/47/1122684947.db2.gz FJSJBLKDAGJBAF-KRWDZBQOSA-N 0 1 293.838 3.639 20 0 CHADMN CC(C)c1nnc(CN[C@H](C)Cc2ccccc2F)s1 ZINC000438193806 1122686162 /nfs/dbraw/zinc/68/61/62/1122686162.db2.gz WIGVTQTVTJNGQC-LLVKDONJSA-N 0 1 293.411 3.521 20 0 CHADMN CC1(C)CN(C/C=C/c2ccncc2)CC2(CCCC2)O1 ZINC000425972497 1122688662 /nfs/dbraw/zinc/68/86/62/1122688662.db2.gz AWNDSNQSAXJVHI-AATRIKPKSA-N 0 1 286.419 3.518 20 0 CHADMN CCOc1ccccc1CN(C)Cc1ccc2c(c1)CCO2 ZINC000506206392 1122690979 /nfs/dbraw/zinc/69/09/79/1122690979.db2.gz UJVIRQFQLRCQSW-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN CCOC(=O)[C@H](C)N(CC1CCC(C)(C)CC1)C1CC1 ZINC001193473922 1122691018 /nfs/dbraw/zinc/69/10/18/1122691018.db2.gz RSNZNEYQFNGEAQ-ZDUSSCGKSA-N 0 1 281.440 3.619 20 0 CHADMN Cc1ccc2cc(CN3C[C@H](C)O[C@@H](C)[C@H]3C)ccc2n1 ZINC000438348955 1122691974 /nfs/dbraw/zinc/69/19/74/1122691974.db2.gz ZSSWZJDLGDPZQV-ZNMIVQPWSA-N 0 1 284.403 3.541 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2nccn2Cc2ccccc2)C1 ZINC000438341089 1122692101 /nfs/dbraw/zinc/69/21/01/1122692101.db2.gz ABVXXUQIIJFUCE-SFHVURJKSA-N 0 1 297.446 3.799 20 0 CHADMN Cc1ncc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)n1C ZINC001250519009 1122692573 /nfs/dbraw/zinc/69/25/73/1122692573.db2.gz YGMHLYQTVSCNEY-UHFFFAOYSA-N 0 1 281.146 3.579 20 0 CHADMN C[C@@H]1CN(Cc2csc3ccccc23)[C@@H](C)[C@H](C)O1 ZINC000438358311 1122693290 /nfs/dbraw/zinc/69/32/90/1122693290.db2.gz VAMQVBIEZCLHNO-AGIUHOORSA-N 0 1 275.417 3.899 20 0 CHADMN Cc1ccc(CNCc2ccccc2N(C)C(C)C)o1 ZINC000438348154 1122693755 /nfs/dbraw/zinc/69/37/55/1122693755.db2.gz WPTWBXOCXHRDQS-UHFFFAOYSA-N 0 1 272.392 3.722 20 0 CHADMN CCOC(=O)[C@@H](c1ccccc1)N1CCC[C@@H](C(C)C)C1 ZINC001193497531 1122693896 /nfs/dbraw/zinc/69/38/96/1122693896.db2.gz RBSVGMFKLFVKJC-IAGOWNOFSA-N 0 1 289.419 3.659 20 0 CHADMN CSCc1cccc(CNCc2ccc(C)cn2)c1 ZINC000438353289 1122694661 /nfs/dbraw/zinc/69/46/61/1122694661.db2.gz MYWZTNDQNAZTAL-UHFFFAOYSA-N 0 1 272.417 3.543 20 0 CHADMN CCCCC(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000438364414 1122695077 /nfs/dbraw/zinc/69/50/77/1122695077.db2.gz NXTJKCORBAMIJR-UHFFFAOYSA-N 0 1 274.408 3.787 20 0 CHADMN CC[C@@H](NCc1ccc(C2CCC2)cc1)c1ccn(C)n1 ZINC000426028554 1122703541 /nfs/dbraw/zinc/70/35/41/1122703541.db2.gz MGNMKVSSJRPPOU-QGZVFWFLSA-N 0 1 283.419 3.929 20 0 CHADMN CCCc1csc(CN(C)C2CCCCC2)n1 ZINC000426033445 1122705771 /nfs/dbraw/zinc/70/57/71/1122705771.db2.gz BVUICVNFAOVSOW-UHFFFAOYSA-N 0 1 252.427 3.860 20 0 CHADMN CC(C)(C)c1ccc(/C=C/c2nc(C3(N)CCC3)no2)cc1 ZINC000261954030 1122710700 /nfs/dbraw/zinc/71/07/00/1122710700.db2.gz OJIUIJYEFYAPQR-JXMROGBWSA-N 0 1 297.402 3.875 20 0 CHADMN C[C@@H]1C[C@H](NC(=O)c2ccc(F)c(O)c2F)CC(C)(C)C1 ZINC001193793255 1122717572 /nfs/dbraw/zinc/71/75/72/1122717572.db2.gz MJLIGOXBWHYOBU-ZJUUUORDSA-N 0 1 297.345 3.615 20 0 CHADMN Cc1ccccc1[C@H](N[C@H]1C[C@@H](C)n2ncnc21)C(C)C ZINC000925036096 1122719488 /nfs/dbraw/zinc/71/94/88/1122719488.db2.gz CKRVNQKMSQIEDQ-VNQPRFMTSA-N 0 1 284.407 3.579 20 0 CHADMN Cc1noc([C@H]2CCCCN2CCCCOC(C)(C)C)n1 ZINC000353554860 1122719559 /nfs/dbraw/zinc/71/95/59/1122719559.db2.gz MHLAROIFURENII-CQSZACIVSA-N 0 1 295.427 3.500 20 0 CHADMN Cc1cccn2c(CN(Cc3ccccc3)C3CC3)cnc12 ZINC000506358611 1122724456 /nfs/dbraw/zinc/72/44/56/1122724456.db2.gz XFISDDDEEKWIHL-UHFFFAOYSA-N 0 1 291.398 3.807 20 0 CHADMN Clc1csc(CN2CCC[C@@H](OCC3CC3)C2)c1 ZINC000426155619 1122725341 /nfs/dbraw/zinc/72/53/41/1122725341.db2.gz ZELQDVPPKFONAY-CYBMUJFWSA-N 0 1 285.840 3.793 20 0 CHADMN CCc1ccccc1CCN(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC001193873509 1122727297 /nfs/dbraw/zinc/72/72/97/1122727297.db2.gz WMWLODFZKGTPQI-UHFFFAOYSA-N 0 1 299.462 3.944 20 0 CHADMN CC(C)N(Cc1nc(C(C)(C)C)co1)CC1CCC1 ZINC001193908650 1122728500 /nfs/dbraw/zinc/72/85/00/1122728500.db2.gz ZUGRTNCNLAXYAX-UHFFFAOYSA-N 0 1 264.413 3.983 20 0 CHADMN CC[C@@H](C)N(Cc1ccccc1)Cn1cccnc1=S ZINC000193394327 1129074051 /nfs/dbraw/zinc/07/40/51/1129074051.db2.gz DOUDFGVEETXVQY-CQSZACIVSA-N 0 1 287.432 3.871 20 0 CHADMN CC(C)c1ccccc1N(C)C(=O)c1cccc2c[nH]nc21 ZINC000426175252 1122729706 /nfs/dbraw/zinc/72/97/06/1122729706.db2.gz GBHZXMPGMOETGP-UHFFFAOYSA-N 0 1 293.370 3.963 20 0 CHADMN CC/C=C\CC[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC001194019756 1122738917 /nfs/dbraw/zinc/73/89/17/1122738917.db2.gz DDIQSARSWYTYQI-FOSCPCJNSA-N 0 1 276.399 3.693 20 0 CHADMN CC(C)=CCC[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC001194019164 1122739213 /nfs/dbraw/zinc/73/92/13/1122739213.db2.gz BFIXXMHCHCRKJH-HNNXBMFYSA-N 0 1 276.399 3.693 20 0 CHADMN Fc1cccc(CN2CC[C@H]2COCc2ccccc2)c1 ZINC001203786513 1122742793 /nfs/dbraw/zinc/74/27/93/1122742793.db2.gz KNGBMWLMVAVAAJ-SFHVURJKSA-N 0 1 285.362 3.617 20 0 CHADMN COc1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000506451330 1122742882 /nfs/dbraw/zinc/74/28/82/1122742882.db2.gz KARPPBGEZVEBOG-GOSISDBHSA-N 0 1 299.439 3.985 20 0 CHADMN COc1ccc(CN2CCSC[C@@H]2c2ccccc2)cc1 ZINC000506451330 1122742885 /nfs/dbraw/zinc/74/28/85/1122742885.db2.gz KARPPBGEZVEBOG-GOSISDBHSA-N 0 1 299.439 3.985 20 0 CHADMN Cc1nocc1CN1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000295274564 1122745768 /nfs/dbraw/zinc/74/57/68/1122745768.db2.gz HZPAMGRZTVLSFJ-MEDUHNTESA-N 0 1 274.339 3.705 20 0 CHADMN Cc1cc(CNC2(c3ccc(Cl)cc3)CC2)sn1 ZINC000638581115 1122749574 /nfs/dbraw/zinc/74/95/74/1122749574.db2.gz DYLAIWFBLINTOS-UHFFFAOYSA-N 0 1 278.808 3.884 20 0 CHADMN COc1cc(NC(C)=O)ccc1[C@H](C)NCc1ccccc1 ZINC000439096761 1122752487 /nfs/dbraw/zinc/75/24/87/1122752487.db2.gz WTZKENLAZZZKJS-ZDUSSCGKSA-N 0 1 298.386 3.504 20 0 CHADMN CCC(CC)N(CC)Cc1nc(C(C)(C)C)co1 ZINC001194782755 1122798931 /nfs/dbraw/zinc/79/89/31/1122798931.db2.gz XGFXKFBHUPJMTI-UHFFFAOYSA-N 0 1 252.402 3.983 20 0 CHADMN CC(F)(F)CNC1CCC(c2ccccc2)CC1 ZINC000518502077 1122761222 /nfs/dbraw/zinc/76/12/22/1122761222.db2.gz JVUQZTXRKBIJBB-UHFFFAOYSA-N 0 1 253.336 3.958 20 0 CHADMN C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000506562867 1122776512 /nfs/dbraw/zinc/77/65/12/1122776512.db2.gz QLMIJUTUNGMDCW-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN C[C@H](c1ccccc1F)N(C)Cc1ccc2c(c1)CCO2 ZINC000506562867 1122776517 /nfs/dbraw/zinc/77/65/17/1122776517.db2.gz QLMIJUTUNGMDCW-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN CC(C)n1cc(C[N@@H+](C)Cc2cccc3[nH]ccc32)cn1 ZINC000426374943 1122776876 /nfs/dbraw/zinc/77/68/76/1122776876.db2.gz YZQQJNKORIENJT-UHFFFAOYSA-N 0 1 282.391 3.577 20 0 CHADMN CC(C)n1cc(CN(C)Cc2cccc3[nH]ccc32)cn1 ZINC000426374943 1122776883 /nfs/dbraw/zinc/77/68/83/1122776883.db2.gz YZQQJNKORIENJT-UHFFFAOYSA-N 0 1 282.391 3.577 20 0 CHADMN CN(Cc1cccc2[nH]ccc21)Cc1cccc2c1OCO2 ZINC000426385495 1122779108 /nfs/dbraw/zinc/77/91/08/1122779108.db2.gz OJCNPIUXXPLMGL-UHFFFAOYSA-N 0 1 294.354 3.529 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CCCO[C@@H](CC)C1 ZINC000439473381 1122782631 /nfs/dbraw/zinc/78/26/31/1122782631.db2.gz LPYQAGUOLCFXGO-BBRMVZONSA-N 0 1 283.362 3.917 20 0 CHADMN CC[C@@H]1C[N@H+]([C@H](C)c2ccccc2Cl)CCCO1 ZINC000439480811 1122784992 /nfs/dbraw/zinc/78/49/92/1122784992.db2.gz ZIUPLCFUVOPBPD-CHWSQXEVSA-N 0 1 267.800 3.902 20 0 CHADMN CC[C@H](OCCN1CCC[C@](C)(F)C1)c1ccccc1 ZINC001194598933 1122785083 /nfs/dbraw/zinc/78/50/83/1122785083.db2.gz HVRVZUCJJRCEMX-IRXDYDNUSA-N 0 1 279.399 3.978 20 0 CHADMN CC(C)c1ccccc1OCCN[C@H]1C[C@@H](C)n2ccnc21 ZINC000297008953 1122785463 /nfs/dbraw/zinc/78/54/63/1122785463.db2.gz SZQBIZXORMEVKS-ZBFHGGJFSA-N 0 1 299.418 3.681 20 0 CHADMN CCCc1csc(CN2CCC[C@H](CC)C2)n1 ZINC000426414271 1122788118 /nfs/dbraw/zinc/78/81/18/1122788118.db2.gz AKJABHQIKBPGOU-LBPRGKRZSA-N 0 1 252.427 3.718 20 0 CHADMN Cn1ccnc1[C@H](NC(C)(C)c1cccc(F)c1)C1CC1 ZINC000638627115 1122789104 /nfs/dbraw/zinc/78/91/04/1122789104.db2.gz OPQGTQDWYUZXJZ-OAHLLOKOSA-N 0 1 287.382 3.535 20 0 CHADMN CC[C@@H](C)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000153778954 1129078022 /nfs/dbraw/zinc/07/80/22/1129078022.db2.gz DBINMGKGTIODLB-SSDOTTSWSA-N 0 1 285.269 3.566 20 0 CHADMN C[C@@H]1CN(CCCc2cccc3ccccc32)CCC1=O ZINC000429667409 1122791107 /nfs/dbraw/zinc/79/11/07/1122791107.db2.gz KEXPVRVRKRMOQG-OAHLLOKOSA-N 0 1 281.399 3.683 20 0 CHADMN CCCc1csc(CN2C[C@@H](C)CC[C@H]2C)n1 ZINC000426423547 1122791332 /nfs/dbraw/zinc/79/13/32/1122791332.db2.gz YQXZHMCIWKECJC-NWDGAFQWSA-N 0 1 252.427 3.716 20 0 CHADMN CC(C)(C)[C@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000544292045 1122791597 /nfs/dbraw/zinc/79/15/97/1122791597.db2.gz MIFLPJZFJCWTGG-AWEZNQCLSA-N 0 1 297.402 3.585 20 0 CHADMN CC[C@H](C[NH2+]Cc1c(F)ccc([O-])c1F)c1ccccc1 ZINC000509610466 1122791632 /nfs/dbraw/zinc/79/16/32/1122791632.db2.gz WQPRYJCKURZPFV-GFCCVEGCSA-N 0 1 291.341 3.954 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CC[C@@H]2CCC[C@H]21 ZINC000426495192 1122804830 /nfs/dbraw/zinc/80/48/30/1122804830.db2.gz JYHKKJPAVCQTGG-GXTWGEPZSA-N 0 1 287.382 3.570 20 0 CHADMN CC[C@H](C)COC(=O)N=c1cc2[nH]snc-2cc1Cl ZINC001194803623 1122805414 /nfs/dbraw/zinc/80/54/14/1122805414.db2.gz DJEQCBOUYWEMTA-ZETCQYMHSA-N 0 1 299.783 3.939 20 0 CHADMN Cc1cccc(NC2CCN(Cc3ccc(C)nc3)CC2)c1 ZINC000153943343 1129079579 /nfs/dbraw/zinc/07/95/79/1129079579.db2.gz JQQPBWZHUBKCMQ-UHFFFAOYSA-N 0 1 295.430 3.775 20 0 CHADMN Cc1ccnc([C@H](C)NCc2ccc3ncccc3c2)c1 ZINC000353601079 1122818025 /nfs/dbraw/zinc/81/80/25/1122818025.db2.gz AFLUOFSTKKFJTL-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN C=Cn1cc(CN(C)[C@@H]2CCCc3cc(OC)ccc32)cn1 ZINC000426550996 1122819183 /nfs/dbraw/zinc/81/91/83/1122819183.db2.gz DMTDEAPWMFHSIN-GOSISDBHSA-N 0 1 297.402 3.502 20 0 CHADMN COc1cccc(CN(C)[C@H]2CC2(C)C)c1OC(F)F ZINC000426555628 1122820748 /nfs/dbraw/zinc/82/07/48/1122820748.db2.gz APYUXUCFARKZLB-LBPRGKRZSA-N 0 1 285.334 3.527 20 0 CHADMN CC(C)CCNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000426602253 1122829846 /nfs/dbraw/zinc/82/98/46/1122829846.db2.gz FZGMTEAETOKMEP-UHFFFAOYSA-N 0 1 297.811 3.568 20 0 CHADMN COc1ccc(CN2CCC[C@H](C(F)(F)F)C2)cc1C ZINC000506788192 1122830169 /nfs/dbraw/zinc/83/01/69/1122830169.db2.gz MMVPOJAVMFPPNG-ZDUSSCGKSA-N 0 1 287.325 3.778 20 0 CHADMN Fc1ccc(-c2ccc3[nH]nnc3c2)c(Cl)c1F ZINC001205681823 1122830927 /nfs/dbraw/zinc/83/09/27/1122830927.db2.gz HDMXNQSGOSJLKP-UHFFFAOYSA-N 0 1 265.650 3.557 20 0 CHADMN Fc1ccc(-c2ccc3nn[nH]c3c2)c(Cl)c1F ZINC001205681823 1122830934 /nfs/dbraw/zinc/83/09/34/1122830934.db2.gz HDMXNQSGOSJLKP-UHFFFAOYSA-N 0 1 265.650 3.557 20 0 CHADMN CCCC[C@@](C)(F)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000664791887 1122831210 /nfs/dbraw/zinc/83/12/10/1122831210.db2.gz KWCWKUZXVMLWEO-OAHLLOKOSA-N 0 1 288.326 3.988 20 0 CHADMN CCC(CC)c1cc(CN[C@@H]2CS[C@H](C)C2)on1 ZINC000638689592 1122831312 /nfs/dbraw/zinc/83/13/12/1122831312.db2.gz MHBMKWJYSJLGJG-PWSUYJOCSA-N 0 1 268.426 3.562 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc(Cl)nc2)cc1 ZINC000073604703 1122834868 /nfs/dbraw/zinc/83/48/68/1122834868.db2.gz VBCCXTPTDUCPCX-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN C[C@H]1[C@H](CO)CCCN1Cc1cccc(Cl)c1Cl ZINC001195047837 1122835574 /nfs/dbraw/zinc/83/55/74/1122835574.db2.gz WBFMYLKYOQRXFE-JQWIXIFHSA-N 0 1 288.218 3.586 20 0 CHADMN C[C@@H]1CCN(Cc2csc(CCc3ccccc3)n2)C1 ZINC000440326574 1122836841 /nfs/dbraw/zinc/83/68/41/1122836841.db2.gz OVEOCWKJKVNINH-CQSZACIVSA-N 0 1 286.444 3.770 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2NCc1occc1C ZINC000266167935 1129085061 /nfs/dbraw/zinc/08/50/61/1129085061.db2.gz BAWUUUXUWWNYGL-MRXNPFEDSA-N 0 1 271.360 3.764 20 0 CHADMN CC[C@H]1CCCN1C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000473631766 1122853072 /nfs/dbraw/zinc/85/30/72/1122853072.db2.gz ZHLFLWJCILBEEG-HNNXBMFYSA-N 0 1 297.402 3.708 20 0 CHADMN CO[C@@H](CC(C)C)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664822632 1122862838 /nfs/dbraw/zinc/86/28/38/1122862838.db2.gz WFKCHCVKCNWRFT-JKSUJKDBSA-N 0 1 276.424 3.526 20 0 CHADMN FC(F)(F)c1nc(CNCCC2(F)CCC2)cs1 ZINC000894506388 1122867370 /nfs/dbraw/zinc/86/73/70/1122867370.db2.gz NTRHGLLHWKHXNM-UHFFFAOYSA-N 0 1 282.306 3.534 20 0 CHADMN CCCCC[C@@H](CC)C(=O)N1CCN(C2CCCC2)CC1 ZINC000775657187 1122871453 /nfs/dbraw/zinc/87/14/53/1122871453.db2.gz XLQVPEMMLXENJD-MRXNPFEDSA-N 0 1 294.483 3.680 20 0 CHADMN CO[C@H](CN1CC(C)(C)[C@H]1c1ccncc1)c1ccccc1 ZINC000664830210 1122873421 /nfs/dbraw/zinc/87/34/21/1122873421.db2.gz SNFORJIFOOZUQL-QZTJIDSGSA-N 0 1 296.414 3.852 20 0 CHADMN Cc1nc(CNc2cc3c(cn2)CCCC3)sc1C ZINC000894572799 1122874871 /nfs/dbraw/zinc/87/48/71/1122874871.db2.gz OHHJMOAUMAYRTO-UHFFFAOYSA-N 0 1 273.405 3.646 20 0 CHADMN CC(C)CCOCCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664834786 1122880509 /nfs/dbraw/zinc/88/05/09/1122880509.db2.gz VHBGKUVDSUZKKJ-INIZCTEOSA-N 0 1 276.424 3.527 20 0 CHADMN CCOc1ccc(CN[C@H]2CCCc3c(F)cccc32)o1 ZINC000894658383 1122884949 /nfs/dbraw/zinc/88/49/49/1122884949.db2.gz GBDHVTMURXNEAL-INIZCTEOSA-N 0 1 289.350 3.985 20 0 CHADMN CCOc1cc(F)c(CN(CC2CC2)C(C)C)c(F)c1 ZINC001143574657 1122892994 /nfs/dbraw/zinc/89/29/94/1122892994.db2.gz GXILCBXROSQAPF-UHFFFAOYSA-N 0 1 283.362 3.984 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cnc(C(C)C)nc2)c1 ZINC000440468675 1122893090 /nfs/dbraw/zinc/89/30/90/1122893090.db2.gz OGLKMFXOGSRJJN-UHFFFAOYSA-N 0 1 283.419 3.849 20 0 CHADMN Cc1coc(CN2CCC(CC(F)(F)F)CC2)c1 ZINC000894693491 1122893276 /nfs/dbraw/zinc/89/32/76/1122893276.db2.gz YJZDLLBDGGTTLU-UHFFFAOYSA-N 0 1 261.287 3.752 20 0 CHADMN c1csc(-c2ccc3[nH]c(-c4ncco4)nc3c2)c1 ZINC001250924062 1122895880 /nfs/dbraw/zinc/89/58/80/1122895880.db2.gz KAMXBKPWMJBYIC-UHFFFAOYSA-N 0 1 267.313 3.946 20 0 CHADMN C[C@@H]1CCC[C@@H](CN2Cc3ccccc3NC(=O)[C@@H]2C)C1 ZINC001196014750 1122901982 /nfs/dbraw/zinc/90/19/82/1122901982.db2.gz XQYGEMFAEUBREG-QLFBSQMISA-N 0 1 286.419 3.656 20 0 CHADMN Cc1nc([C@@H](C)NCc2cccc(C3CCCC3)c2)n[nH]1 ZINC000894777354 1122904246 /nfs/dbraw/zinc/90/42/46/1122904246.db2.gz IIDDJZLCXVKBIS-GFCCVEGCSA-N 0 1 284.407 3.622 20 0 CHADMN Cc1nc([C@@H](C)NCc2ccc(-c3cccs3)cc2)n[nH]1 ZINC000894778864 1122904385 /nfs/dbraw/zinc/90/43/85/1122904385.db2.gz TWUFOUSIRCGEOU-LLVKDONJSA-N 0 1 298.415 3.692 20 0 CHADMN COc1cccc(CN2CCC[C@H]2c2ccc(C)nc2)c1 ZINC001203826110 1122906040 /nfs/dbraw/zinc/90/60/40/1122906040.db2.gz QPDZGPJQPAHOPF-SFHVURJKSA-N 0 1 282.387 3.736 20 0 CHADMN CC(C)c1nnc(CNCC(C)(C)C2=CCCC2)s1 ZINC000894802376 1122906611 /nfs/dbraw/zinc/90/66/11/1122906611.db2.gz NQPIARIQBHXPPI-UHFFFAOYSA-N 0 1 279.453 3.888 20 0 CHADMN CCc1onc(C)c1CNc1ccc2cnccc2c1 ZINC000894809139 1122907776 /nfs/dbraw/zinc/90/77/76/1122907776.db2.gz UCCIOYSSZUVUJA-UHFFFAOYSA-N 0 1 267.332 3.706 20 0 CHADMN O=C(CCC1CCCCC1)Nc1ncc(C(F)(F)F)[nH]1 ZINC000506914998 1122911739 /nfs/dbraw/zinc/91/17/39/1122911739.db2.gz FAERFTMPNVJSIV-UHFFFAOYSA-N 0 1 289.301 3.728 20 0 CHADMN CCCC[C@H](CC)CCCN(C)Cc1cc[nH]n1 ZINC001196275756 1122914893 /nfs/dbraw/zinc/91/48/93/1122914893.db2.gz ONUZMLKTPDOTIR-AWEZNQCLSA-N 0 1 251.418 3.838 20 0 CHADMN CCC[C@H](C)CCCN1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC001196274543 1122915797 /nfs/dbraw/zinc/91/57/97/1122915797.db2.gz HVZLJHVBZQAISZ-KCQAQPDRSA-N 0 1 277.399 3.947 20 0 CHADMN CCCc1cccc(C[NH2+][C@H](C(=O)[O-])c2cccs2)c1 ZINC000426792636 1122915868 /nfs/dbraw/zinc/91/58/68/1122915868.db2.gz NJRLWJLKUPCHIM-HNNXBMFYSA-N 0 1 289.400 3.616 20 0 CHADMN Cc1c(Br)cccc1CN1CC2CC1(C)C2 ZINC001196347571 1122918049 /nfs/dbraw/zinc/91/80/49/1122918049.db2.gz GOBNYZAXWUBEBK-UHFFFAOYSA-N 0 1 280.209 3.742 20 0 CHADMN COc1nscc1CN1CCC[C@@H](C2CCCCC2)C1 ZINC001196410151 1122921752 /nfs/dbraw/zinc/92/17/52/1122921752.db2.gz NMKBFFMROQFERO-CQSZACIVSA-N 0 1 294.464 3.944 20 0 CHADMN CCN(Cc1ccc(-c2cc[nH]n2)o1)[C@H](C)c1cccnc1 ZINC000519591457 1122931004 /nfs/dbraw/zinc/93/10/04/1122931004.db2.gz HFDNYEJASXIZLZ-CYBMUJFWSA-N 0 1 296.374 3.648 20 0 CHADMN C[C@H]1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000507166397 1122932120 /nfs/dbraw/zinc/93/21/20/1122932120.db2.gz WNIQENQTKHRAJE-NSHDSACASA-N 0 1 276.767 3.837 20 0 CHADMN c1coc(CN(Cc2cccc3c2OCO3)C2CCCC2)c1 ZINC000507207163 1122936179 /nfs/dbraw/zinc/93/61/79/1122936179.db2.gz BOJNLKOHOVRDPB-UHFFFAOYSA-N 0 1 299.370 3.953 20 0 CHADMN CCCCN(Cc1cccc(O)c1Cl)C1CC1 ZINC000507216194 1122939379 /nfs/dbraw/zinc/93/93/79/1122939379.db2.gz XNAFSJVMXOYWJG-UHFFFAOYSA-N 0 1 253.773 3.810 20 0 CHADMN CCCC[N@H+](Cc1cccc([O-])c1Cl)C1CC1 ZINC000507216194 1122939383 /nfs/dbraw/zinc/93/93/83/1122939383.db2.gz XNAFSJVMXOYWJG-UHFFFAOYSA-N 0 1 253.773 3.810 20 0 CHADMN CCCC[N@@H+](Cc1cccc([O-])c1Cl)C1CC1 ZINC000507216194 1122939386 /nfs/dbraw/zinc/93/93/86/1122939386.db2.gz XNAFSJVMXOYWJG-UHFFFAOYSA-N 0 1 253.773 3.810 20 0 CHADMN CSCc1cnc(C[N@H+]2CCC[C@H]2C(C)C)s1 ZINC000507221602 1122940147 /nfs/dbraw/zinc/94/01/47/1122940147.db2.gz MBNFODSCGLPHGP-LBPRGKRZSA-N 0 1 270.467 3.627 20 0 CHADMN CSCc1cnc(CN2CCC[C@H]2C(C)C)s1 ZINC000507221602 1122940150 /nfs/dbraw/zinc/94/01/50/1122940150.db2.gz MBNFODSCGLPHGP-LBPRGKRZSA-N 0 1 270.467 3.627 20 0 CHADMN CC[C@H](NCCSC(C)(C)C)c1nccs1 ZINC000304265539 1122941776 /nfs/dbraw/zinc/94/17/76/1122941776.db2.gz CLEKLBBDGQCSSX-JTQLQIEISA-N 0 1 258.456 3.716 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1conc1C ZINC000507252959 1122942190 /nfs/dbraw/zinc/94/21/90/1122942190.db2.gz OZXSCYOAFMXZPY-KRWDZBQOSA-N 0 1 286.375 3.501 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N(C)Cc1ccnn1CC ZINC000507251986 1122942299 /nfs/dbraw/zinc/94/22/99/1122942299.db2.gz LDIIFQVUHILBRI-MRXNPFEDSA-N 0 1 275.371 3.625 20 0 CHADMN CCCN(Cc1c(C(C)C)nc2sc(C)nn12)C1CC1 ZINC000507254442 1122943804 /nfs/dbraw/zinc/94/38/04/1122943804.db2.gz VPEMRMXIJGATLS-UHFFFAOYSA-N 0 1 292.452 3.597 20 0 CHADMN CCn1nccc1CN(Cc1cccc(Cl)c1)C(C)C ZINC000154470284 1129088222 /nfs/dbraw/zinc/08/82/22/1129088222.db2.gz DLMPBMDPELJMTH-UHFFFAOYSA-N 0 1 291.826 3.967 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)CC(C)(C)C)n[nH]2)c(C)c1 ZINC000427116394 1122945163 /nfs/dbraw/zinc/94/51/63/1122945163.db2.gz VWTDLQJXFSVLAE-UHFFFAOYSA-N 0 1 299.418 3.812 20 0 CHADMN CCCN(Cc1ccnc(C)n1)[C@H](C)c1ccccc1OC ZINC000507312150 1122946449 /nfs/dbraw/zinc/94/64/49/1122946449.db2.gz QZCFLHJSFARFET-CQSZACIVSA-N 0 1 299.418 3.767 20 0 CHADMN CC(C)(C)OC(=O)[C@@H]1CCCCN1CC[C@@H]1C[C@H]1C1CC1 ZINC001197177169 1122947301 /nfs/dbraw/zinc/94/73/01/1122947301.db2.gz LVASCPAUQFEGSM-PMPSAXMXSA-N 0 1 293.451 3.619 20 0 CHADMN C(c1noc2c1CCCC2)N1CCC[C@H](C2CCC2)CC1 ZINC001197203802 1122948030 /nfs/dbraw/zinc/94/80/30/1122948030.db2.gz URNHYOGMAKMDQE-HNNXBMFYSA-N 0 1 288.435 3.956 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@H]2CCC(C)C)c1 ZINC000427205783 1122949843 /nfs/dbraw/zinc/94/98/43/1122949843.db2.gz XDTQZAZUNVYSTI-HNNXBMFYSA-N 0 1 299.418 3.912 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000427208629 1122950283 /nfs/dbraw/zinc/95/02/83/1122950283.db2.gz GZMOTDFWJUOZFC-LRDDRELGSA-N 0 1 285.391 3.604 20 0 CHADMN CC(C)CC[C@H]1CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000427202690 1122950484 /nfs/dbraw/zinc/95/04/84/1122950484.db2.gz DDJAIQYCPIJJSY-CYBMUJFWSA-N 0 1 285.391 3.604 20 0 CHADMN CSCc1cnc(CN([C@H](C)C2CC2)C2CC2)s1 ZINC000507359690 1122951112 /nfs/dbraw/zinc/95/11/12/1122951112.db2.gz QCHSZLWZFUUDAH-SNVBAGLBSA-N 0 1 282.478 3.769 20 0 CHADMN C[C@H]1CN(Cc2ccc(C3CCC3)cc2)[C@@H](C)CO1 ZINC000507371324 1122951306 /nfs/dbraw/zinc/95/13/06/1122951306.db2.gz ZQRYUPPPDFLYDX-KBPBESRZSA-N 0 1 259.393 3.563 20 0 CHADMN CC(C)CCCN1CCc2cc(F)c(F)cc2C1 ZINC001197344358 1122953107 /nfs/dbraw/zinc/95/31/07/1122953107.db2.gz XSQGEQWDEUBNPQ-UHFFFAOYSA-N 0 1 253.336 3.759 20 0 CHADMN CSc1ccccc1[C@@H]1CCCN1Cc1cncc(C)n1 ZINC001203176394 1122956244 /nfs/dbraw/zinc/95/62/44/1122956244.db2.gz YTMMFDINTHJXCB-INIZCTEOSA-N 0 1 299.443 3.844 20 0 CHADMN CC(C)CN(Cc1c(F)ccc(O)c1F)C(C)C ZINC000507504374 1122961190 /nfs/dbraw/zinc/96/11/90/1122961190.db2.gz JCIAVDBZGNPQEZ-UHFFFAOYSA-N 0 1 257.324 3.537 20 0 CHADMN Oc1c(Cl)cccc1NC(=S)Nc1cccc(F)c1 ZINC001197640829 1122963147 /nfs/dbraw/zinc/96/31/47/1122963147.db2.gz IWFVPHTXWDHEJS-UHFFFAOYSA-N 0 1 296.754 3.994 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2cccc(C)c2C)nn1C ZINC000487382660 1122965256 /nfs/dbraw/zinc/96/52/56/1122965256.db2.gz VZEOGNVQGJXEON-GOSISDBHSA-N 0 1 283.419 3.682 20 0 CHADMN Cc1cc2c(cc1Br)CN(CCC1CC1)CC2 ZINC001198094130 1122980972 /nfs/dbraw/zinc/98/09/72/1122980972.db2.gz LXARNSOKCWRONZ-UHFFFAOYSA-N 0 1 294.236 3.916 20 0 CHADMN Cc1ccsc1CN1CCOC[C@H]1Cc1ccccc1 ZINC000507667374 1122982851 /nfs/dbraw/zinc/98/28/51/1122982851.db2.gz VAAQODSUFRVOBI-MRXNPFEDSA-N 0 1 287.428 3.500 20 0 CHADMN CO[C@@H](CN(Cc1ccoc1)C1CC1)c1ccccc1 ZINC001198146933 1122982844 /nfs/dbraw/zinc/98/28/44/1122982844.db2.gz JUDKUPRHSLAUFS-KRWDZBQOSA-N 0 1 271.360 3.632 20 0 CHADMN c1ccc2cc(CN3CCO[C@@H]4CCC[C@H]43)ccc2c1 ZINC000507698808 1122988348 /nfs/dbraw/zinc/98/83/48/1122988348.db2.gz AKGMEOKQXHNOPO-QZTJIDSGSA-N 0 1 267.372 3.593 20 0 CHADMN CCCc1ccc([C@@H](C)NCc2cccnc2N(C)C)cc1 ZINC000154756785 1129091787 /nfs/dbraw/zinc/09/17/87/1129091787.db2.gz XZWNYBWVHRMEEK-OAHLLOKOSA-N 0 1 297.446 3.951 20 0 CHADMN CC(C)SCCN(C)Cc1cc(-c2ccccc2)n[nH]1 ZINC001198534444 1122996003 /nfs/dbraw/zinc/99/60/03/1122996003.db2.gz YERPWPNSWQSKIE-UHFFFAOYSA-N 0 1 289.448 3.650 20 0 CHADMN c1ccc(Oc2cccc(CN3C[C@@H]4C[C@H]3CS4)c2)nc1 ZINC000894866956 1123000511 /nfs/dbraw/zinc/00/05/11/1123000511.db2.gz GJJILRTXPTZYLM-HOCLYGCPSA-N 0 1 298.411 3.564 20 0 CHADMN Brc1cc(CN2CCCCCC2)cs1 ZINC000306826895 1123001165 /nfs/dbraw/zinc/00/11/65/1123001165.db2.gz CONINKQOSSZUCL-UHFFFAOYSA-N 0 1 274.227 3.887 20 0 CHADMN C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CC[C@H](C)C1 ZINC000334408808 1123007878 /nfs/dbraw/zinc/00/78/78/1123007878.db2.gz IIDLTRQLRMDVLD-WDEREUQCSA-N 0 1 291.782 3.793 20 0 CHADMN CC[C@@]1(C)CCC[N@@H+](CC[C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000519645035 1123013271 /nfs/dbraw/zinc/01/32/71/1123013271.db2.gz STGKRYYHFSCPCZ-AEFFLSMTSA-N 0 1 289.419 3.757 20 0 CHADMN Cc1cccc2c1CCN(Cc1ccc(F)cc1)C2 ZINC000729479945 1123015358 /nfs/dbraw/zinc/01/53/58/1123015358.db2.gz JVXGXNCGCVTWDR-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN CC[C@H](F)CSc1nnc(CCC2CCCC2)[nH]1 ZINC000440576163 1123017288 /nfs/dbraw/zinc/01/72/88/1123017288.db2.gz PNLJLLDXTWVYEK-NSHDSACASA-N 0 1 271.405 3.768 20 0 CHADMN CC[C@H](F)CSc1nc(CCC2CCCC2)n[nH]1 ZINC000440576163 1123017293 /nfs/dbraw/zinc/01/72/93/1123017293.db2.gz PNLJLLDXTWVYEK-NSHDSACASA-N 0 1 271.405 3.768 20 0 CHADMN CC[C@@H](F)CSc1nnc(CCC2CCCC2)[nH]1 ZINC000440576162 1123017611 /nfs/dbraw/zinc/01/76/11/1123017611.db2.gz PNLJLLDXTWVYEK-LLVKDONJSA-N 0 1 271.405 3.768 20 0 CHADMN CC[C@@H](F)CSc1nc(CCC2CCCC2)n[nH]1 ZINC000440576162 1123017615 /nfs/dbraw/zinc/01/76/15/1123017615.db2.gz PNLJLLDXTWVYEK-LLVKDONJSA-N 0 1 271.405 3.768 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2csc(C(=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000519711999 1123019989 /nfs/dbraw/zinc/01/99/89/1123019989.db2.gz VSJASAWEVYSAPF-KWCYVHTRSA-N 0 1 293.432 3.847 20 0 CHADMN Cc1ccc(OCCNCc2ncc(C(C)C)s2)cc1 ZINC001199092972 1123020568 /nfs/dbraw/zinc/02/05/68/1123020568.db2.gz BHQOOMIVYWSIBG-UHFFFAOYSA-N 0 1 290.432 3.744 20 0 CHADMN Cc1ccc(-c2ccccc2CNCc2cc[nH]n2)c(C)c1 ZINC001199118858 1123022701 /nfs/dbraw/zinc/02/27/01/1123022701.db2.gz RYVPSQFUEHCEJM-UHFFFAOYSA-N 0 1 291.398 3.983 20 0 CHADMN COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccncc1C ZINC001205862406 1123027030 /nfs/dbraw/zinc/02/70/30/1123027030.db2.gz ABJHZUCUISRYJY-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1ccncc1C ZINC001205862406 1123027032 /nfs/dbraw/zinc/02/70/32/1123027032.db2.gz ABJHZUCUISRYJY-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN CC[C@@H](F)CN1CCSC[C@H]1c1ccccc1 ZINC000440699370 1123029994 /nfs/dbraw/zinc/02/99/94/1123029994.db2.gz SNFDHPLEFWOQEE-KGLIPLIRSA-N 0 1 253.386 3.525 20 0 CHADMN CC[C@@H](F)CN(C)Cc1ccc(SC)c(OC)c1 ZINC000440700059 1123030488 /nfs/dbraw/zinc/03/04/88/1123030488.db2.gz WIRDHNGPNRDQNK-GFCCVEGCSA-N 0 1 271.401 3.597 20 0 CHADMN FC(F)[C@H]1C[C@@H]1NCc1ccc(-c2ccccc2)o1 ZINC000519847946 1123031362 /nfs/dbraw/zinc/03/13/62/1123031362.db2.gz QMLGSBVSDYAEMO-STQMWFEESA-N 0 1 263.287 3.690 20 0 CHADMN CC[C@@H](F)CN(C)Cc1cccc(Br)c1 ZINC000440703255 1123031391 /nfs/dbraw/zinc/03/13/91/1123031391.db2.gz QYNIMSHBOBTUPV-GFCCVEGCSA-N 0 1 274.177 3.629 20 0 CHADMN COc1ncccc1CNCc1ccc(C(C)C)cc1 ZINC000037408079 1123031406 /nfs/dbraw/zinc/03/14/06/1123031406.db2.gz BLZQLYZKIIGNBY-UHFFFAOYSA-N 0 1 270.376 3.503 20 0 CHADMN CC[C@H](F)CN(C)Cc1ccccc1C(F)(F)F ZINC000440706491 1123031784 /nfs/dbraw/zinc/03/17/84/1123031784.db2.gz UHXFSFPZLQZIPE-NSHDSACASA-N 0 1 263.278 3.885 20 0 CHADMN C[C@@H]1CCN(Cc2coc(-c3c(F)cccc3F)n2)[C@@H]1C ZINC000154977695 1129094393 /nfs/dbraw/zinc/09/43/93/1129094393.db2.gz VBVWBKCGDPFCMA-GHMZBOCLSA-N 0 1 292.329 3.850 20 0 CHADMN CO[C@H](CNCc1c(F)cc(C)cc1F)c1ccccc1 ZINC001199657347 1123034997 /nfs/dbraw/zinc/03/49/97/1123034997.db2.gz IIGNFXFVGJDUIN-QGZVFWFLSA-N 0 1 291.341 3.751 20 0 CHADMN CC(C)CCN(C(=O)c1cccc2c[nH]nc21)C1CCCC1 ZINC000519885276 1123035244 /nfs/dbraw/zinc/03/52/44/1123035244.db2.gz ZLFBHIWAWHLMCD-UHFFFAOYSA-N 0 1 299.418 3.994 20 0 CHADMN CC[C@@H]1[C@H](C)CCN1Cc1occc1Br ZINC000776002443 1123035386 /nfs/dbraw/zinc/03/53/86/1123035386.db2.gz SPBLDANCLLHVEE-MWLCHTKSSA-N 0 1 272.186 3.663 20 0 CHADMN CC[C@H]1[C@H](C)CCN1Cc1occc1Br ZINC000776002439 1123035420 /nfs/dbraw/zinc/03/54/20/1123035420.db2.gz SPBLDANCLLHVEE-KOLCDFICSA-N 0 1 272.186 3.663 20 0 CHADMN CC[C@H](F)CN1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000440797024 1123041298 /nfs/dbraw/zinc/04/12/98/1123041298.db2.gz MPWUBEJUWTZTIH-SLEUVZQESA-N 0 1 253.336 3.957 20 0 CHADMN CCc1nc2c(s1)[C@H](N(C)C[C@H](F)CC)CCC2 ZINC000440795977 1123041800 /nfs/dbraw/zinc/04/18/00/1123041800.db2.gz VFTPPEMRCQGKGR-ZYHUDNBSSA-N 0 1 270.417 3.763 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)N(C)Cc1cc(F)ncc1F ZINC000839188028 1123042649 /nfs/dbraw/zinc/04/26/49/1123042649.db2.gz VIGHZWPAAQCTMV-NSHDSACASA-N 0 1 294.320 3.562 20 0 CHADMN CC[C@@H](NCc1cc(C(F)(F)F)n[nH]1)c1cccs1 ZINC000440825640 1123043433 /nfs/dbraw/zinc/04/34/33/1123043433.db2.gz XAEDXKLSQYXWFJ-SECBINFHSA-N 0 1 289.326 3.731 20 0 CHADMN CC(C)(C)OCCNCc1csc(-c2cccs2)n1 ZINC000520221048 1123064733 /nfs/dbraw/zinc/06/47/33/1123064733.db2.gz IRXZARQOFIPLCT-UHFFFAOYSA-N 0 1 296.461 3.776 20 0 CHADMN CC(C)CN(Cc1ccn(-c2ccc(F)cc2)n1)C1CC1 ZINC000441184102 1123066458 /nfs/dbraw/zinc/06/64/58/1123066458.db2.gz NUCOXZZZVUUGFQ-UHFFFAOYSA-N 0 1 287.382 3.632 20 0 CHADMN c1[nH]nc2c1CCC[C@H]2NCc1cccc(CC2CCC2)c1 ZINC001201025793 1123070624 /nfs/dbraw/zinc/07/06/24/1123070624.db2.gz IBSPGYXNWZGSRD-GOSISDBHSA-N 0 1 295.430 3.920 20 0 CHADMN CN(CCC1CC1)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000441253091 1123071257 /nfs/dbraw/zinc/07/12/57/1123071257.db2.gz XFFCUXQMUFDTLK-UHFFFAOYSA-N 0 1 295.430 3.593 20 0 CHADMN COCc1ccc(CN[C@H](C)c2cc(C)sc2C)o1 ZINC000268801098 1129100598 /nfs/dbraw/zinc/10/05/98/1129100598.db2.gz PVNQQPMGKOXZKI-LLVKDONJSA-N 0 1 279.405 3.955 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2nnc(-c3ccccc3)s2)C1 ZINC000155090202 1129097366 /nfs/dbraw/zinc/09/73/66/1129097366.db2.gz MTDSSLOCCHGVRF-CHWSQXEVSA-N 0 1 287.432 3.683 20 0 CHADMN COc1ccc([C@H](C)NCc2c(C)noc2C)cc1Cl ZINC000112535978 1123088841 /nfs/dbraw/zinc/08/88/41/1123088841.db2.gz WQJOUKBBMLYRED-VIFPVBQESA-N 0 1 294.782 3.804 20 0 CHADMN COc1cc(N=C2CCSCC2)ncc1C(F)(F)F ZINC001201333450 1123089425 /nfs/dbraw/zinc/08/94/25/1123089425.db2.gz DSJLLOQWXZRASD-UHFFFAOYSA-N 0 1 290.310 3.542 20 0 CHADMN C[C@@H](NCCOCC1CC1)c1ccccc1Br ZINC000112545983 1123090115 /nfs/dbraw/zinc/09/01/15/1123090115.db2.gz IUFBTWMZPOCINS-LLVKDONJSA-N 0 1 298.224 3.526 20 0 CHADMN Cc1noc2ncc(CN(C)Cc3ccc(C)c(C)c3)cc12 ZINC000894948225 1123090320 /nfs/dbraw/zinc/09/03/20/1123090320.db2.gz OTZSYLCCSBCELN-UHFFFAOYSA-N 0 1 295.386 3.780 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccco2)cc1Cl ZINC000112515190 1123090651 /nfs/dbraw/zinc/09/06/51/1123090651.db2.gz NIMPLPXTISOAGX-SNVBAGLBSA-N 0 1 265.740 3.792 20 0 CHADMN C[NH+](C)Cc1cccc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001201397163 1123091977 /nfs/dbraw/zinc/09/19/77/1123091977.db2.gz QGCGNQIHSYNLSM-UHFFFAOYSA-N 0 1 294.757 3.990 20 0 CHADMN Cc1coc(CN[C@H](c2cccs2)C2(CO)CCC2)c1 ZINC000894948859 1123092917 /nfs/dbraw/zinc/09/29/17/1123092917.db2.gz KFUGQFGGFXTMNI-OAHLLOKOSA-N 0 1 291.416 3.643 20 0 CHADMN CO[C@H]1CCC[C@H](Nc2ccc3cnccc3c2)CC1 ZINC000894968520 1123094022 /nfs/dbraw/zinc/09/40/22/1123094022.db2.gz AKGNTUQZUMPKTG-RDJZCZTQSA-N 0 1 270.376 3.994 20 0 CHADMN Cc1coc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000894969124 1123094504 /nfs/dbraw/zinc/09/45/04/1123094504.db2.gz HZNYSZOVHPPYCW-SFHVURJKSA-N 0 1 299.414 3.972 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@@H](COC)c2ccco2)C1(CC)CC ZINC000776162794 1123096890 /nfs/dbraw/zinc/09/68/90/1123096890.db2.gz LYLAFUFEUXUBQU-NUEKZKHPSA-N 0 1 295.423 3.541 20 0 CHADMN CCCCO[C@@H]1C[C@@H](N[C@@H](COC)c2ccco2)C1(C)C ZINC000776164276 1123097335 /nfs/dbraw/zinc/09/73/35/1123097335.db2.gz YRAGPGUYNYHAMU-NUEKZKHPSA-N 0 1 295.423 3.541 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3c2cccc3O)cnc1Cl ZINC000776173983 1123102583 /nfs/dbraw/zinc/10/25/83/1123102583.db2.gz UIAYUACHLZTSIM-CQSZACIVSA-N 0 1 288.778 3.526 20 0 CHADMN COCc1ccc(CN[C@H](c2ccccc2)C2CC2)o1 ZINC000268766414 1129099092 /nfs/dbraw/zinc/09/90/92/1129099092.db2.gz BWDOVXRWTPAZEB-QGZVFWFLSA-N 0 1 271.360 3.667 20 0 CHADMN COCC[C@H](C)Nc1cc(C)nc2ccc(F)cc21 ZINC000123937575 1123105297 /nfs/dbraw/zinc/10/52/97/1123105297.db2.gz JFHFGKQFJIXAIX-JTQLQIEISA-N 0 1 262.328 3.519 20 0 CHADMN CCSCCN1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000441449415 1123107075 /nfs/dbraw/zinc/10/70/75/1123107075.db2.gz QQJFXAMAPULXMQ-WBVHZDCISA-N 0 1 293.476 3.818 20 0 CHADMN CC(C)=CCC[C@H](C)CN1CC(Oc2cccnc2)C1 ZINC001201490563 1123109644 /nfs/dbraw/zinc/10/96/44/1123109644.db2.gz NDZMPSGNWHFWCJ-HNNXBMFYSA-N 0 1 274.408 3.527 20 0 CHADMN CC[C@@H](C)CN(Cc1ccccn1)Cc1ccccn1 ZINC001201499782 1123112072 /nfs/dbraw/zinc/11/20/72/1123112072.db2.gz QZSKPGWDRFTZQM-OAHLLOKOSA-N 0 1 269.392 3.525 20 0 CHADMN CC(C)CCc1noc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)n1 ZINC000520434976 1123113313 /nfs/dbraw/zinc/11/33/13/1123113313.db2.gz MVMHIUOGHFVKEG-KGLIPLIRSA-N 0 1 291.439 3.669 20 0 CHADMN CCC(CC)CN1CCOC[C@H]1c1ccc(F)cc1 ZINC001201534451 1123115540 /nfs/dbraw/zinc/11/55/40/1123115540.db2.gz IMTZMNFAPQQXJP-INIZCTEOSA-N 0 1 265.372 3.635 20 0 CHADMN CCCC[C@H](CC)CN1CCC(F)(F)[C@H](F)C1 ZINC001201562817 1123124257 /nfs/dbraw/zinc/12/42/57/1123124257.db2.gz GWVIJUGZIPQXRL-NWDGAFQWSA-N 0 1 251.336 3.882 20 0 CHADMN Cc1ccc(Cc2noc(CN3[C@@H](C)CC[C@@H]3C)n2)cc1C ZINC000665015530 1123125280 /nfs/dbraw/zinc/12/52/80/1123125280.db2.gz GJBPEQRAFOMBJJ-GJZGRUSLSA-N 0 1 299.418 3.650 20 0 CHADMN CCOc1cc(Cl)ccc1CNCc1scnc1C ZINC001201593822 1123129332 /nfs/dbraw/zinc/12/93/32/1123129332.db2.gz ABQHPRBLLJNMDF-UHFFFAOYSA-N 0 1 296.823 3.793 20 0 CHADMN FC(F)(F)c1n[nH]c2c1CCN(CCc1ccccc1)C2 ZINC001201606262 1123130673 /nfs/dbraw/zinc/13/06/73/1123130673.db2.gz SRLGDAUDSXQSOA-AWEZNQCLSA-N 0 1 295.308 3.586 20 0 CHADMN CC(C)CC[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001201626495 1123132650 /nfs/dbraw/zinc/13/26/50/1123132650.db2.gz HXFAOVUGXNWQEB-GASCZTMLSA-N 0 1 296.455 3.506 20 0 CHADMN Cc1cncc(CN(C)CCOc2ccc(Cl)cc2)c1 ZINC000189772317 1123143062 /nfs/dbraw/zinc/14/30/62/1123143062.db2.gz BPVOINLPGVABBA-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN C[C@H](CCc1ccccc1)N1CCO[C@@H](c2ccco2)C1 ZINC000246951619 1123143897 /nfs/dbraw/zinc/14/38/97/1123143897.db2.gz NTJPSXOPPVYELD-CRAIPNDOSA-N 0 1 285.387 3.674 20 0 CHADMN Cc1cnc(CNCC(C)(C)c2cccc(Cl)c2F)o1 ZINC000639053609 1123149793 /nfs/dbraw/zinc/14/97/93/1123149793.db2.gz KIQWTYVHBIXXHJ-UHFFFAOYSA-N 0 1 296.773 3.843 20 0 CHADMN Clc1ccc(CNCc2c[nH]nc2-c2ccccc2)o1 ZINC000620879335 1129102151 /nfs/dbraw/zinc/10/21/51/1129102151.db2.gz VGFNRTNJSHZEJF-UHFFFAOYSA-N 0 1 287.750 3.613 20 0 CHADMN Cc1cc(CN[C@@H](C)c2c(C)oc3ccccc32)[nH]n1 ZINC000925104981 1123151544 /nfs/dbraw/zinc/15/15/44/1123151544.db2.gz ZCXUJUQOTJVTMT-NSHDSACASA-N 0 1 269.348 3.624 20 0 CHADMN CC1(C)CC[C@@H]2C[C@H](NCc3cncnc3)c3cccc1c32 ZINC000334353072 1123156482 /nfs/dbraw/zinc/15/64/82/1123156482.db2.gz HYCCVQQLMMLWHX-PBHICJAKSA-N 0 1 293.414 3.866 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN1CC2(C1)CCCO2 ZINC001201977240 1123159272 /nfs/dbraw/zinc/15/92/72/1123159272.db2.gz RBVUGJSCGMAZKY-OAHLLOKOSA-N 0 1 251.414 3.624 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN1CCC(=O)[C@H](F)CC1 ZINC001201976762 1123159563 /nfs/dbraw/zinc/15/95/63/1123159563.db2.gz PBZMUDPASMYENQ-HUUCEWRRSA-N 0 1 269.404 3.762 20 0 CHADMN C[C@H]1Cc2cccc(Br)c2CN1CC1CC1 ZINC001201952047 1123162410 /nfs/dbraw/zinc/16/24/10/1123162410.db2.gz GNZCNTOOONBHOB-JTQLQIEISA-N 0 1 280.209 3.606 20 0 CHADMN ClC1(Cl)C[C@H]1CN1CC[C@H]1c1ccccc1 ZINC000749115951 1123162567 /nfs/dbraw/zinc/16/25/67/1123162567.db2.gz UUGOSROLJMKNEJ-RYUDHWBXSA-N 0 1 256.176 3.627 20 0 CHADMN COc1cccc(CN(Cc2cccc(C)c2C)C2CC2)n1 ZINC001137535368 1123170707 /nfs/dbraw/zinc/17/07/07/1123170707.db2.gz KAPFVLNUCXREPQ-UHFFFAOYSA-N 0 1 296.414 3.872 20 0 CHADMN Cc1cc(CN2CCSC[C@H]2C)ccc1Cl ZINC000507775963 1123171276 /nfs/dbraw/zinc/17/12/76/1123171276.db2.gz MYFNILSKZKULKV-LLVKDONJSA-N 0 1 255.814 3.586 20 0 CHADMN Cc1cc(F)cc(CN2CCC3(CC(F)(F)CO3)CC2)c1 ZINC001143586361 1123174280 /nfs/dbraw/zinc/17/42/80/1123174280.db2.gz YRTXOHKLZCLGJF-UHFFFAOYSA-N 0 1 299.336 3.524 20 0 CHADMN Cc1n[nH]c(CN2CC3(CC=CC3)[C@@H]2c2ccccc2)c1C ZINC000895084618 1123177651 /nfs/dbraw/zinc/17/76/51/1123177651.db2.gz QQKQKJBWFPRDQI-SFHVURJKSA-N 0 1 293.414 3.920 20 0 CHADMN Cc1[nH]nc(CN2CC3(CC=CC3)[C@@H]2c2ccccc2)c1C ZINC000895084618 1123177653 /nfs/dbraw/zinc/17/76/53/1123177653.db2.gz QQKQKJBWFPRDQI-SFHVURJKSA-N 0 1 293.414 3.920 20 0 CHADMN CCOc1ccccc1CNCc1ccc(OC)cc1C ZINC000776252487 1123179605 /nfs/dbraw/zinc/17/96/05/1123179605.db2.gz BEZVQINAMUUONG-UHFFFAOYSA-N 0 1 285.387 3.692 20 0 CHADMN CSc1ccc(CNCc2ccc(Cl)cn2)cc1 ZINC000776255011 1123179717 /nfs/dbraw/zinc/17/97/17/1123179717.db2.gz SYIRUJOJWBZJQL-UHFFFAOYSA-N 0 1 278.808 3.747 20 0 CHADMN O=c1cc(Nc2csc3ccccc23)nc(Cl)[nH]1 ZINC001202164849 1123180519 /nfs/dbraw/zinc/18/05/19/1123180519.db2.gz AXADUCFGEHOMMK-UHFFFAOYSA-N 0 1 277.736 3.794 20 0 CHADMN COc1cc(CN2CCS[C@@H](C)[C@@H]2C)ccc1SC ZINC000118415947 1123183284 /nfs/dbraw/zinc/18/32/84/1123183284.db2.gz SCAGMBIOADZPRW-RYUDHWBXSA-N 0 1 297.489 3.743 20 0 CHADMN Cc1ccc2c(c1)CCN([C@@H](C)c1cnc(C)nc1C)C2 ZINC000639101131 1123184936 /nfs/dbraw/zinc/18/49/36/1123184936.db2.gz XACRINDGQNCQGV-AWEZNQCLSA-N 0 1 281.403 3.521 20 0 CHADMN C[C@@H](CNCc1csc(C(F)(F)F)n1)CC(F)F ZINC000895090955 1123188909 /nfs/dbraw/zinc/18/89/09/1123188909.db2.gz GOJFMBBXLNBCBJ-ZCFIWIBFSA-N 0 1 288.285 3.543 20 0 CHADMN C[C@H](CC1CCCCC1)NC(=O)Cc1[nH]nc2ccccc21 ZINC000192557608 1123189586 /nfs/dbraw/zinc/18/95/86/1123189586.db2.gz XNEVECXOCGYLEF-CYBMUJFWSA-N 0 1 299.418 3.581 20 0 CHADMN Cc1cc(F)cc(CN2CCC[C@@H]2c2ccccn2)c1 ZINC001143586712 1123189650 /nfs/dbraw/zinc/18/96/50/1123189650.db2.gz TZEZDTLJHSDVLW-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN c1nc2ccc(-c3ccccc3OC[C@H]3CCOC3)cc2[nH]1 ZINC000665141619 1123197771 /nfs/dbraw/zinc/19/77/71/1123197771.db2.gz ABLLUKDBBIQEMG-ZDUSSCGKSA-N 0 1 294.354 3.645 20 0 CHADMN FC(F)(F)CCN1CC=C(c2ccccc2)CC1 ZINC001202352601 1123201389 /nfs/dbraw/zinc/20/13/89/1123201389.db2.gz NCSMELXZUAGZKI-UHFFFAOYSA-N 0 1 255.283 3.728 20 0 CHADMN O=C(c1ccccc1)C1CCN(CCCC(F)(F)F)CC1 ZINC001202368285 1123203386 /nfs/dbraw/zinc/20/33/86/1123203386.db2.gz LVLIRLIVNITIEI-UHFFFAOYSA-N 0 1 299.336 3.924 20 0 CHADMN CCn1ccnc1CN[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000269816025 1129106067 /nfs/dbraw/zinc/10/60/67/1129106067.db2.gz NUKXEPWNLAIMAU-CZUORRHYSA-N 0 1 269.392 3.631 20 0 CHADMN C[C@@H](NCc1cc(Cl)sc1Cl)[C@H]1CCCO1 ZINC000336782338 1123211099 /nfs/dbraw/zinc/21/10/99/1123211099.db2.gz XIIOXFYXSRYTCE-VXNVDRBHSA-N 0 1 280.220 3.712 20 0 CHADMN Cc1ccc(NC(=O)Nc2ccc3c(c2)CN(C)CC3)cc1 ZINC001202433721 1123211379 /nfs/dbraw/zinc/21/13/79/1123211379.db2.gz GBSVOFAGRGBRFC-UHFFFAOYSA-N 0 1 295.386 3.627 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@H](C)c2cnccn2)c1 ZINC000155891030 1129106826 /nfs/dbraw/zinc/10/68/26/1129106826.db2.gz OZBMHMDJXIMJLD-UONOGXRCSA-N 0 1 255.365 3.505 20 0 CHADMN COCc1ccccc1-c1ccc(F)c(CN(C)C)c1 ZINC000665199650 1123227402 /nfs/dbraw/zinc/22/74/02/1123227402.db2.gz RFDZSVUXAIRVQA-UHFFFAOYSA-N 0 1 273.351 3.701 20 0 CHADMN COc1cccc(-c2ccc(F)c(CN(C)C)c2)c1 ZINC000665199378 1123227706 /nfs/dbraw/zinc/22/77/06/1123227706.db2.gz FUPKDJCQZDSFCX-UHFFFAOYSA-N 0 1 259.324 3.563 20 0 CHADMN Cc1nc(CN2[C@@H](C)CCC[C@@H]2C)nc2ccccc12 ZINC000108864434 1123232683 /nfs/dbraw/zinc/23/26/83/1123232683.db2.gz KHMXNQLMJSFGGZ-STQMWFEESA-N 0 1 269.392 3.701 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccncn1)CCC2 ZINC000334521982 1123240982 /nfs/dbraw/zinc/24/09/82/1123240982.db2.gz IRQXDGCZAUORSU-GUYCJALGSA-N 0 1 267.376 3.513 20 0 CHADMN Cc1ccoc1CN(C)Cc1cccc2cc[nH]c21 ZINC000343448364 1123242065 /nfs/dbraw/zinc/24/20/65/1123242065.db2.gz OFKADGCFIYZHCP-UHFFFAOYSA-N 0 1 254.333 3.701 20 0 CHADMN C[C@@H](N[C@@H]1c2ccccc2CCC1(C)C)c1ccncn1 ZINC000334545729 1123250286 /nfs/dbraw/zinc/25/02/86/1123250286.db2.gz MMSWPLJYACPKKV-CXAGYDPISA-N 0 1 281.403 3.841 20 0 CHADMN C[C@@H](N[C@H]1c2ccccc2CCC1(C)C)c1ccncn1 ZINC000334545732 1123250320 /nfs/dbraw/zinc/25/03/20/1123250320.db2.gz MMSWPLJYACPKKV-DYVFJYSZSA-N 0 1 281.403 3.841 20 0 CHADMN c1ccc(-c2noc([C@@H]3CCCCN3CC3CC3)n2)cc1 ZINC000156074135 1129109075 /nfs/dbraw/zinc/10/90/75/1129109075.db2.gz YAZMIKWUMWRQMZ-HNNXBMFYSA-N 0 1 283.375 3.674 20 0 CHADMN CSc1ccc([C@@H](C)N[C@H](C)c2cnc(C)cn2)cc1 ZINC000427855899 1123254888 /nfs/dbraw/zinc/25/48/88/1123254888.db2.gz UNZMNRUHZZQNDB-CHWSQXEVSA-N 0 1 287.432 3.919 20 0 CHADMN Cc1cnc([C@@H](C)N[C@@H](C)c2cccc(C)c2C)cn1 ZINC000427857523 1123256197 /nfs/dbraw/zinc/25/61/97/1123256197.db2.gz ITEGJGKJKDBCJP-LSDHHAIUSA-N 0 1 269.392 3.814 20 0 CHADMN CC(C)Oc1ccccc1CN[C@H]1C[C@@H](O)c2ccccc21 ZINC000850368891 1123258467 /nfs/dbraw/zinc/25/84/67/1123258467.db2.gz GIRVUYRDUBPLNA-ZWKOTPCHSA-N 0 1 297.398 3.742 20 0 CHADMN CCOc1ccc(-c2nc(CN(CC)C3CC3)co2)cc1 ZINC000156060498 1129109366 /nfs/dbraw/zinc/10/93/66/1129109366.db2.gz GHTMBFMPGMPRMF-UHFFFAOYSA-N 0 1 286.375 3.725 20 0 CHADMN CSc1ccc(CN[C@H]2C[C@@H](O)c3ccccc32)s1 ZINC000850374166 1123259302 /nfs/dbraw/zinc/25/93/02/1123259302.db2.gz KOVXIEXAHSJRLH-UONOGXRCSA-N 0 1 291.441 3.738 20 0 CHADMN CSc1ccc(CN[C@@H]2C[C@@H](O)c3ccccc32)s1 ZINC000850374167 1123259608 /nfs/dbraw/zinc/25/96/08/1123259608.db2.gz KOVXIEXAHSJRLH-ZIAGYGMSSA-N 0 1 291.441 3.738 20 0 CHADMN COCc1csc(CNCc2cnc(Cl)c(C)c2)c1 ZINC000850377624 1123260394 /nfs/dbraw/zinc/26/03/94/1123260394.db2.gz LYBBPHKKOGUKDI-UHFFFAOYSA-N 0 1 296.823 3.541 20 0 CHADMN O[C@@H]1C[C@@H](NCc2cc(F)cc(Cl)c2)c2ccccc21 ZINC000850376631 1123260447 /nfs/dbraw/zinc/26/04/47/1123260447.db2.gz ZIOTWOGRYCHAKU-HZPDHXFCSA-N 0 1 291.753 3.747 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3s2)[C@@H]1C(=O)[O-] ZINC000334578535 1123262687 /nfs/dbraw/zinc/26/26/87/1123262687.db2.gz KLWKCVUVTRZOEU-ABAIWWIYSA-N 0 1 289.400 3.586 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccn1)c1ccc2c(c1)CCCO2 ZINC000850419888 1123264090 /nfs/dbraw/zinc/26/40/90/1123264090.db2.gz FSCBRJNOJRNPJS-KGLIPLIRSA-N 0 1 282.387 3.818 20 0 CHADMN c1cn(-c2ccccc2)nc1CN(C1CC1)C1CCCC1 ZINC000520792192 1123264808 /nfs/dbraw/zinc/26/48/08/1123264808.db2.gz USLJSFWVVBJOPQ-UHFFFAOYSA-N 0 1 281.403 3.779 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@H]2COC3(CCC3)C2)cs1 ZINC000850444626 1123267949 /nfs/dbraw/zinc/26/79/49/1123267949.db2.gz VBBSZUPVPAIVKU-VXGBXAGGSA-N 0 1 280.437 3.629 20 0 CHADMN CCCCN1C(=O)N=NC1SCc1ccc(C)c(C)c1 ZINC000428072062 1123271431 /nfs/dbraw/zinc/27/14/31/1123271431.db2.gz HSLIYUKTFZJZHD-UHFFFAOYSA-N 0 1 291.420 3.693 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H]2C=CCC2)c(Br)c1 ZINC000850508525 1123277057 /nfs/dbraw/zinc/27/70/57/1123277057.db2.gz JUFACHOYKAUXLP-GHMZBOCLSA-N 0 1 296.208 3.827 20 0 CHADMN Fc1ccc2c(c1Cl)[C@H](N[C@@H]1C=CCC1)CC2 ZINC000850510487 1123278229 /nfs/dbraw/zinc/27/82/29/1123278229.db2.gz XCNSLHKFOHFDLZ-ZYHUDNBSSA-N 0 1 251.732 3.775 20 0 CHADMN Brc1csc([C@H](N[C@H]2C=CCC2)C2CC2)n1 ZINC000850511048 1123278272 /nfs/dbraw/zinc/27/82/72/1123278272.db2.gz ZTVAUBCQGTXXMR-GXSJLCMTSA-N 0 1 299.237 3.665 20 0 CHADMN CCC[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1cccnc1 ZINC000850526422 1123281566 /nfs/dbraw/zinc/28/15/66/1123281566.db2.gz BZVUZWRYHCEBOZ-KSZLIROESA-N 0 1 282.387 3.691 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H]1C[C@H](O)c2ccccc21 ZINC000850527373 1123281890 /nfs/dbraw/zinc/28/18/90/1123281890.db2.gz GIHHSZNVGJIFKU-GDLCADMTSA-N 0 1 289.400 3.586 20 0 CHADMN CCO[C@H]1C[C@H](N(C)Cc2oc(C(C)C)nc2C)C1(C)C ZINC000428216028 1123282296 /nfs/dbraw/zinc/28/22/96/1123282296.db2.gz DLAUKBPOPIXOLN-GJZGRUSLSA-N 0 1 294.439 3.742 20 0 CHADMN Cc1c([C@H](C)N[C@H]2C[C@H](O)c3ccccc32)cnn1C(C)C ZINC000850527936 1123283197 /nfs/dbraw/zinc/28/31/97/1123283197.db2.gz IFZZXABJEJEUST-IGNZVWTISA-N 0 1 299.418 3.601 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1ccsc1 ZINC000850528887 1123283224 /nfs/dbraw/zinc/28/32/24/1123283224.db2.gz MGMWVNAOKYFNSZ-COLVAYQJSA-N 0 1 259.374 3.577 20 0 CHADMN CCc1nc(C)c(CN2C[C@@H](C)[C@@H]2c2ccccc2)o1 ZINC000428221596 1123283886 /nfs/dbraw/zinc/28/38/86/1123283886.db2.gz UKHQGVXKCZUTNY-SJKOYZFVSA-N 0 1 270.376 3.738 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1cc(F)cc(F)c1 ZINC000850529186 1123283982 /nfs/dbraw/zinc/28/39/82/1123283982.db2.gz OBZGJBNPYYOHPS-LZVXQISVSA-N 0 1 289.325 3.794 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1ccccc1N(C)C ZINC000850529817 1123284028 /nfs/dbraw/zinc/28/40/28/1123284028.db2.gz UFFICBULJDYQLB-BOFPYLFWSA-N 0 1 296.414 3.582 20 0 CHADMN Cc1ccc2cc(CN3CCOC[C@H]3C3CCC3)ccc2n1 ZINC000520815672 1123285002 /nfs/dbraw/zinc/28/50/02/1123285002.db2.gz VKWXZTSHZQRNPT-IBGZPJMESA-N 0 1 296.414 3.544 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2c(C3CC3)cnn2C)c1 ZINC000850534005 1123285921 /nfs/dbraw/zinc/28/59/21/1123285921.db2.gz FAMOSSKRNUZIRL-CYBMUJFWSA-N 0 1 299.418 3.547 20 0 CHADMN CC(C)Cc1ccc([C@H](C)[C@@H](C)NCc2ncccn2)cc1 ZINC000850550597 1123288739 /nfs/dbraw/zinc/28/87/39/1123288739.db2.gz AEIVPTFXORUECM-HZPDHXFCSA-N 0 1 297.446 3.957 20 0 CHADMN CCOc1ccc(CNCc2cnc(Cl)s2)c(C)c1 ZINC000895150739 1123300861 /nfs/dbraw/zinc/30/08/61/1123300861.db2.gz CKDJJUMTIRUIRU-UHFFFAOYSA-N 0 1 296.823 3.793 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@@]3(CC=CCC3)C2)s1 ZINC000335143877 1123310140 /nfs/dbraw/zinc/31/01/40/1123310140.db2.gz LCQQKLCLRCPZOX-DOMZBBRYSA-N 0 1 277.437 3.730 20 0 CHADMN O=C(Nc1ccc(C(F)F)cc1)[C@@H]1CCN1C1CCCC1 ZINC000885583949 1123314676 /nfs/dbraw/zinc/31/46/76/1123314676.db2.gz FODJFKLOZDNKIS-AWEZNQCLSA-N 0 1 294.345 3.580 20 0 CHADMN Cc1csc([C@H](C)NC[C@@H]2CCC3(CCCCC3)O2)n1 ZINC000191020486 1123319881 /nfs/dbraw/zinc/31/98/81/1123319881.db2.gz JDYSKXMGXSUESZ-KBPBESRZSA-N 0 1 294.464 3.984 20 0 CHADMN CCO[C@@H](C)c1nc(CN2CC[C@@H](C3CCC3)C2)cs1 ZINC000665286709 1123324410 /nfs/dbraw/zinc/32/44/10/1123324410.db2.gz SDNUOFHDTVMLTD-GXTWGEPZSA-N 0 1 294.464 3.863 20 0 CHADMN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@@H](C2CCC2)C1 ZINC000665288063 1123325816 /nfs/dbraw/zinc/32/58/16/1123325816.db2.gz BVAFFDHPIIMVOV-GXTWGEPZSA-N 0 1 297.402 3.518 20 0 CHADMN CC1=C[C@H](C)CN([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000335232505 1123326055 /nfs/dbraw/zinc/32/60/55/1123326055.db2.gz USFSSHSVZXRZID-JSGCOSHPSA-N 0 1 283.375 3.696 20 0 CHADMN Fc1ccc(Br)c(F)c1CNC1CC=CC1 ZINC000230310656 1123334676 /nfs/dbraw/zinc/33/46/76/1123334676.db2.gz JZKFPBLTFUFRIN-UHFFFAOYSA-N 0 1 288.135 3.536 20 0 CHADMN CCc1nn(C)cc1CN[C@H](C)c1ccccc1SC ZINC000442782528 1123337953 /nfs/dbraw/zinc/33/79/53/1123337953.db2.gz ROJCEVQNJQQAPO-GFCCVEGCSA-N 0 1 289.448 3.555 20 0 CHADMN CCN(Cc1c[nH]c2ccccc12)Cc1cc(OC)ccn1 ZINC000442884531 1123346844 /nfs/dbraw/zinc/34/68/44/1123346844.db2.gz HOXMEWQVYWURTQ-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN CC[C@]1(C)CN(Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000442887793 1123348266 /nfs/dbraw/zinc/34/82/66/1123348266.db2.gz YXZMSLNXWXNTAL-CQSZACIVSA-N 0 1 287.325 3.706 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CCCC(C)(C)C1 ZINC000442922821 1123348769 /nfs/dbraw/zinc/34/87/69/1123348769.db2.gz LCLXJAIPHDLFEK-LBPRGKRZSA-N 0 1 277.412 3.540 20 0 CHADMN Cc1ccc(F)c(CN2CC(C)(C)O[C@@H]3CCC[C@H]32)c1 ZINC000442971857 1123351505 /nfs/dbraw/zinc/35/15/05/1123351505.db2.gz YWKMSILLXZEWQA-HZPDHXFCSA-N 0 1 277.383 3.666 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2ccccc21)c1ccncc1F ZINC000335316203 1123355067 /nfs/dbraw/zinc/35/50/67/1123355067.db2.gz SOUGRYHSGLLYJV-SJKOYZFVSA-N 0 1 270.351 3.949 20 0 CHADMN Cc1nc(C[N@H+](C)C2CCC(F)(F)CC2)c(C)s1 ZINC000335319972 1123356653 /nfs/dbraw/zinc/35/66/53/1123356653.db2.gz ZCHYNPWMNWJALY-UHFFFAOYSA-N 0 1 274.380 3.770 20 0 CHADMN Cc1nc(CN(C)C2CCC(F)(F)CC2)c(C)s1 ZINC000335319972 1123356668 /nfs/dbraw/zinc/35/66/68/1123356668.db2.gz ZCHYNPWMNWJALY-UHFFFAOYSA-N 0 1 274.380 3.770 20 0 CHADMN Cc1ncc(CNCc2cccn2CCC(C)C)s1 ZINC000119075426 1123357513 /nfs/dbraw/zinc/35/75/13/1123357513.db2.gz CGQHURMUKYSIIU-UHFFFAOYSA-N 0 1 277.437 3.589 20 0 CHADMN Cc1cc(F)ccc1-c1noc(CN2[C@@H](C)CC[C@@H]2C)n1 ZINC000443210473 1123365340 /nfs/dbraw/zinc/36/53/40/1123365340.db2.gz IYHXAQXLHROWAS-RYUDHWBXSA-N 0 1 289.354 3.557 20 0 CHADMN CCCCCC[N@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000851707685 1123372762 /nfs/dbraw/zinc/37/27/62/1123372762.db2.gz IJHCNMGUEMOORF-CVEARBPZSA-N 0 1 281.440 3.922 20 0 CHADMN CCN(Cc1cccc(F)n1)[C@@H](C)c1cccc(OC)c1 ZINC000851737078 1123376549 /nfs/dbraw/zinc/37/65/49/1123376549.db2.gz ZPISDKGZGJEAQI-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN Fc1cccc(CN[C@@H](c2ccccc2)C2CCC2)n1 ZINC000851839050 1123384084 /nfs/dbraw/zinc/38/40/84/1123384084.db2.gz CHSPNUVIBFIKNM-KRWDZBQOSA-N 0 1 270.351 3.852 20 0 CHADMN O[C@@H]1CCN(Cc2ccccc2C(F)(F)F)C2(CCC2)C1 ZINC000335606770 1123384990 /nfs/dbraw/zinc/38/49/90/1123384990.db2.gz CIPZSFAMJGEEGZ-CYBMUJFWSA-N 0 1 299.336 3.585 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cccc(F)n2)cc1 ZINC000851901689 1123387735 /nfs/dbraw/zinc/38/77/35/1123387735.db2.gz FISYGPZIDXDLFH-UHFFFAOYSA-N 0 1 272.367 3.808 20 0 CHADMN CC[C@@H]1CCC[N@H+]1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000522080945 1123390398 /nfs/dbraw/zinc/39/03/98/1123390398.db2.gz GMDGPKLPJOWJNQ-CQSZACIVSA-N 0 1 274.339 3.855 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1Cc1cccc(F)n1 ZINC000851941085 1123390775 /nfs/dbraw/zinc/39/07/75/1123390775.db2.gz WQTNPPHRJOBTQB-MRXNPFEDSA-N 0 1 270.351 3.558 20 0 CHADMN O=C1CC[C@@H](CN2CCCC[C@@H]2c2cccc(Cl)c2)O1 ZINC000851989499 1123392626 /nfs/dbraw/zinc/39/26/26/1123392626.db2.gz JOKQBUDKYVZMPB-LSDHHAIUSA-N 0 1 293.794 3.573 20 0 CHADMN ClC(Cl)=CCN1CCC[C@]2(CCSC2)C1 ZINC000852146353 1123397791 /nfs/dbraw/zinc/39/77/91/1123397791.db2.gz MWROIDJQAOFIJB-NSHDSACASA-N 0 1 266.237 3.525 20 0 CHADMN FC(F)OCC[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000852207725 1123399837 /nfs/dbraw/zinc/39/98/37/1123399837.db2.gz NNQLEOYGGFYJRN-AWEZNQCLSA-N 0 1 279.330 3.619 20 0 CHADMN FC(F)OCCN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000852207725 1123399841 /nfs/dbraw/zinc/39/98/41/1123399841.db2.gz NNQLEOYGGFYJRN-AWEZNQCLSA-N 0 1 279.330 3.619 20 0 CHADMN O=C1[C@H]2CCCCCCC2=NN1c1cccc2ncccc21 ZINC000634590500 1129119286 /nfs/dbraw/zinc/11/92/86/1129119286.db2.gz BGLXVJAOUOGYSA-AWEZNQCLSA-N 0 1 293.370 3.908 20 0 CHADMN O=c1c2c([nH]n1-c1cccc3ncccc31)CCCCCC2 ZINC000634590500 1129119290 /nfs/dbraw/zinc/11/92/90/1129119290.db2.gz BGLXVJAOUOGYSA-AWEZNQCLSA-N 0 1 293.370 3.908 20 0 CHADMN CCCc1[nH]n(-c2cccc3ncccc32)c(=O)c1CC ZINC000634591237 1129119310 /nfs/dbraw/zinc/11/93/10/1129119310.db2.gz WSUFWXHZKJGNDK-LBPRGKRZSA-N 0 1 281.359 3.764 20 0 CHADMN Fc1cc(CN2CC[C@@]3(CC3(F)F)C2)ccc1C(F)F ZINC000895188460 1123401935 /nfs/dbraw/zinc/40/19/35/1123401935.db2.gz LFMOHUNSBKHFTQ-CYBMUJFWSA-N 0 1 291.263 3.994 20 0 CHADMN CSc1ccc(CN2CCC[C@H](OC3CCC3)C2)o1 ZINC000895185613 1123401990 /nfs/dbraw/zinc/40/19/90/1123401990.db2.gz BGXPCIWYTACJCF-ZDUSSCGKSA-N 0 1 281.421 3.535 20 0 CHADMN CCOC(CN1CC2(CCCC2)[C@@H]1c1ccco1)OCC ZINC000852427292 1123405193 /nfs/dbraw/zinc/40/51/93/1123405193.db2.gz VSWLEYDOWXULKA-INIZCTEOSA-N 0 1 293.407 3.596 20 0 CHADMN CCCc1c(C)[nH]n(-c2ccc(SC)cc2)c1=O ZINC000634594114 1129119838 /nfs/dbraw/zinc/11/98/38/1129119838.db2.gz LLYRWUZKEVAUAV-ZDUSSCGKSA-N 0 1 262.378 3.547 20 0 CHADMN Cc1cnc([C@H](C)N2CCC(F)(c3ccccc3)CC2)cn1 ZINC000335700209 1123413093 /nfs/dbraw/zinc/41/30/93/1123413093.db2.gz QBEULHQZXBTXMY-HNNXBMFYSA-N 0 1 299.393 3.807 20 0 CHADMN O=C1[C@@H]2CCCCCC2=NN1c1nccc2sccc21 ZINC000634596726 1129120082 /nfs/dbraw/zinc/12/00/82/1129120082.db2.gz OSDHQMCYTKENRY-SNVBAGLBSA-N 0 1 285.372 3.579 20 0 CHADMN Cl/C=C\CN1CCC2(C=Cc3ccccc3O2)CC1 ZINC000852730868 1123414030 /nfs/dbraw/zinc/41/40/30/1123414030.db2.gz WCBNFDNDRXCKAA-KMKOMSMNSA-N 0 1 275.779 3.679 20 0 CHADMN CCCCc1[nH]n(-c2ccnc3ccccc32)c(=O)c1C ZINC000634603413 1129120647 /nfs/dbraw/zinc/12/06/47/1129120647.db2.gz YVONVVJOHCLREZ-GFCCVEGCSA-N 0 1 281.359 3.764 20 0 CHADMN CCC1(CC)[C@H](OC)C[C@@H]1NCc1nc2ccccc2o1 ZINC000191360747 1123424261 /nfs/dbraw/zinc/42/42/61/1123424261.db2.gz RYLIQFNUAAEUIQ-LSDHHAIUSA-N 0 1 288.391 3.511 20 0 CHADMN CCCCc1[nH]n(-c2ccnc3ccccc32)c(=O)c1C ZINC000634603414 1129121084 /nfs/dbraw/zinc/12/10/84/1129121084.db2.gz YVONVVJOHCLREZ-LBPRGKRZSA-N 0 1 281.359 3.764 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(Cl)cc1C ZINC000335798560 1123432052 /nfs/dbraw/zinc/43/20/52/1123432052.db2.gz IUKSCUBPDSBJKC-UHFFFAOYSA-N 0 1 299.708 3.870 20 0 CHADMN CCc1ccccc1CNCc1ccnn1CC1CCC1 ZINC000631077550 1123432475 /nfs/dbraw/zinc/43/24/75/1123432475.db2.gz HXTHTDSJOCQGLD-UHFFFAOYSA-N 0 1 283.419 3.535 20 0 CHADMN C[C@@H](CCc1cccc(F)c1)[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000665350836 1123435010 /nfs/dbraw/zinc/43/50/10/1123435010.db2.gz GAMCGZPQUAIAIL-ZDUSSCGKSA-N 0 1 295.398 3.580 20 0 CHADMN Cc1cc2ccccc2nc1N1N=C2CC[C@H](C)C[C@@H]2C1=O ZINC000634615798 1129121672 /nfs/dbraw/zinc/12/16/72/1129121672.db2.gz RMTXQRLUDBMRGJ-FZMZJTMJSA-N 0 1 293.370 3.682 20 0 CHADMN CC(C)CSCCCN1CCOC[C@@H]1c1ccccc1 ZINC000443602871 1123442661 /nfs/dbraw/zinc/44/26/61/1123442661.db2.gz LAARJSLDFDGUGR-QGZVFWFLSA-N 0 1 293.476 3.839 20 0 CHADMN CC(=O)c1cc(C(=O)Nc2cccc(Cl)c2O)cs1 ZINC000335841722 1123445288 /nfs/dbraw/zinc/44/52/88/1123445288.db2.gz ANULVMZMMFAPPB-UHFFFAOYSA-N 0 1 295.747 3.562 20 0 CHADMN CC[C@H](CONC(=O)C(C)(C)c1ccccc1)CC(F)F ZINC000853664816 1123445576 /nfs/dbraw/zinc/44/55/76/1123445576.db2.gz VSAJFPZLHQDSEN-LBPRGKRZSA-N 0 1 299.361 3.693 20 0 CHADMN Cc1ccc(C)c([C@H](C)NCc2cccc(C)n2)c1 ZINC000051573717 1123463116 /nfs/dbraw/zinc/46/31/16/1123463116.db2.gz WOGLWEUYGKTOBZ-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN CC(C)(C)OC1CC(N2CC(C)(C)[C@H]2c2cccnc2)C1 ZINC000854041722 1123467306 /nfs/dbraw/zinc/46/73/06/1123467306.db2.gz PQRDNZDRCFGLMT-UYSNPLJNSA-N 0 1 288.435 3.811 20 0 CHADMN Cc1ccccc1OCCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000854043321 1123467486 /nfs/dbraw/zinc/46/74/86/1123467486.db2.gz HVZHQTOMRWBGNA-SFHVURJKSA-N 0 1 296.414 3.852 20 0 CHADMN CCCC(CCC)C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000443679021 1123470560 /nfs/dbraw/zinc/47/05/60/1123470560.db2.gz YKYJVHCJEACTHN-UHFFFAOYSA-N 0 1 286.379 3.627 20 0 CHADMN Oc1ccc2c(c1)[C@H](NCc1cc(O)cc(Cl)c1)CC2 ZINC000895399084 1123476036 /nfs/dbraw/zinc/47/60/36/1123476036.db2.gz XMYFDOZKUNYMLA-MRXNPFEDSA-N 0 1 289.762 3.528 20 0 CHADMN CCOC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000113937925 1123476844 /nfs/dbraw/zinc/47/68/44/1123476844.db2.gz OFPLMTKZZMFMPT-CYBMUJFWSA-N 0 1 297.826 3.597 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2cc(Cl)ccc2OC)C1 ZINC000113937925 1123476847 /nfs/dbraw/zinc/47/68/47/1123476847.db2.gz OFPLMTKZZMFMPT-CYBMUJFWSA-N 0 1 297.826 3.597 20 0 CHADMN CC(C)c1c[nH]c(CN2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)n1 ZINC000895404311 1123477866 /nfs/dbraw/zinc/47/78/66/1123477866.db2.gz DIEQKJUCWIZLNE-YESZJQIVSA-N 0 1 295.430 3.769 20 0 CHADMN CN(Cc1ncc(-c2cccc(Cl)c2)o1)CC1CC1 ZINC000052128242 1123478052 /nfs/dbraw/zinc/47/80/52/1123478052.db2.gz FGLWFGMXGMEIGS-UHFFFAOYSA-N 0 1 276.767 3.837 20 0 CHADMN FC[C@H]1CCN(Cc2cscc2C(F)(F)F)C1 ZINC000895574020 1123492001 /nfs/dbraw/zinc/49/20/01/1123492001.db2.gz UKVBMEOYTPNBQW-MRVPVSSYSA-N 0 1 267.291 3.558 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)[N@@H+](Cn1cnnc1)C1CC1 ZINC000776756817 1123494763 /nfs/dbraw/zinc/49/47/63/1123494763.db2.gz BRTQBKYWFDNTQJ-AWEZNQCLSA-N 0 1 292.386 3.614 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)N(Cn1cnnc1)C1CC1 ZINC000776756817 1123494764 /nfs/dbraw/zinc/49/47/64/1123494764.db2.gz BRTQBKYWFDNTQJ-AWEZNQCLSA-N 0 1 292.386 3.614 20 0 CHADMN CCC[C@@H](C(=O)NOC(C)C)c1ccc(Cl)cc1 ZINC000854754613 1123495280 /nfs/dbraw/zinc/49/52/80/1123495280.db2.gz SDDGGLSFZXWDMM-CYBMUJFWSA-N 0 1 269.772 3.680 20 0 CHADMN CC(C)c1ccc(CCNC2(c3ncccn3)CCC2)cc1 ZINC000895621826 1123497965 /nfs/dbraw/zinc/49/79/65/1123497965.db2.gz AQQKTRGZTJHMED-UHFFFAOYSA-N 0 1 295.430 3.812 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000634697760 1129126046 /nfs/dbraw/zinc/12/60/46/1129126046.db2.gz RGXXNWMSXIGMQE-OAHLLOKOSA-N 0 1 287.403 3.787 20 0 CHADMN CN(CCCF)Cc1cnc(C2CCCC2)s1 ZINC000895898454 1123527733 /nfs/dbraw/zinc/52/77/33/1123527733.db2.gz SQSBCJLFKMXHFA-UHFFFAOYSA-N 0 1 256.390 3.592 20 0 CHADMN COc1cccc(CN2CCCCCC2)c1OC(F)F ZINC000157378619 1129127706 /nfs/dbraw/zinc/12/77/06/1129127706.db2.gz GDQVDMWUVOSMKO-UHFFFAOYSA-N 0 1 285.334 3.673 20 0 CHADMN CCCCCC[C@](C)(CCC)C(=O)N(C)CC1CN(C)C1 ZINC000855638972 1123529781 /nfs/dbraw/zinc/52/97/81/1123529781.db2.gz ZVRSZTUSVQDTLG-SFHVURJKSA-N 0 1 296.499 3.783 20 0 CHADMN Cc1ccc(F)c(C(=O)Nc2cc(F)cc(Cl)c2O)c1 ZINC000474444233 1123531139 /nfs/dbraw/zinc/53/11/39/1123531139.db2.gz GUAUBXITYQRYDF-UHFFFAOYSA-N 0 1 297.688 3.885 20 0 CHADMN COc1ccc(CNCc2ccc(C(C)(C)C)s2)nc1 ZINC000895930364 1123532152 /nfs/dbraw/zinc/53/21/52/1123532152.db2.gz JKKHZGJFXFJQFL-UHFFFAOYSA-N 0 1 290.432 3.739 20 0 CHADMN CCc1cccc(F)c1CNCc1ccccc1C ZINC000474468198 1123534080 /nfs/dbraw/zinc/53/40/80/1123534080.db2.gz DSXHSVVCYFBLPD-UHFFFAOYSA-N 0 1 257.352 3.986 20 0 CHADMN Cc1ccc(C(=O)CCN(C)Cc2cccc(F)c2)cc1 ZINC000053935020 1123538885 /nfs/dbraw/zinc/53/88/85/1123538885.db2.gz RPRQDYLDQPAOMQ-UHFFFAOYSA-N 0 1 285.362 3.839 20 0 CHADMN COC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2ccccc2C)o1 ZINC000338985928 1123544914 /nfs/dbraw/zinc/54/49/14/1123544914.db2.gz NDTDYSORIPZDPK-INIZCTEOSA-N 0 1 299.370 3.712 20 0 CHADMN Cc1ccc(CN2CCC[C@H](C(F)(F)F)[C@@H]2C)cn1 ZINC000335870881 1123550535 /nfs/dbraw/zinc/55/05/35/1123550535.db2.gz XUJKOHHHBHMGMR-AAEUAGOBSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C[C@H]1CCCC[C@@H]1C ZINC000543707164 1123550532 /nfs/dbraw/zinc/55/05/32/1123550532.db2.gz FCDNWYPDBAQANH-WCBMZHEXSA-N 0 1 285.338 3.811 20 0 CHADMN CC(C)(C)CCN1CCO[C@H](c2cccs2)C1 ZINC000157538200 1129129925 /nfs/dbraw/zinc/12/99/25/1129129925.db2.gz FGMOVKHMHFVADL-LBPRGKRZSA-N 0 1 253.411 3.558 20 0 CHADMN Clc1cncc(CN2CCCC3(CCCC3)C2)c1 ZINC000856739640 1123566232 /nfs/dbraw/zinc/56/62/32/1123566232.db2.gz YKELPPZWTXBFCO-UHFFFAOYSA-N 0 1 264.800 3.891 20 0 CHADMN CN(CCSc1ccccc1)Cc1ccc(Cl)nc1 ZINC000080913523 1129130050 /nfs/dbraw/zinc/13/00/50/1129130050.db2.gz VZBGFRVMCSBNCY-UHFFFAOYSA-N 0 1 292.835 3.959 20 0 CHADMN CC(C)[C@@H](NCc1cn(C)nc1Cl)c1ccccc1 ZINC000856764852 1123567448 /nfs/dbraw/zinc/56/74/48/1123567448.db2.gz PRYQBCWMTHOSRG-CQSZACIVSA-N 0 1 277.799 3.560 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cn(C)nc1Cl)C1CC1 ZINC000856770857 1123568015 /nfs/dbraw/zinc/56/80/15/1123568015.db2.gz PCJOKMAIVFTACZ-HNNXBMFYSA-N 0 1 289.810 3.623 20 0 CHADMN FC(F)(F)c1nc(CNCC[C@@H]2CC[C@H]3C[C@H]32)cs1 ZINC000896272091 1123569154 /nfs/dbraw/zinc/56/91/54/1123569154.db2.gz BJAWYKGJFXJTDX-QXEWZRGKSA-N 0 1 290.354 3.688 20 0 CHADMN FC(F)[C@H](NCC1CC(F)(F)C1)C1CCCCC1 ZINC000856823271 1123571774 /nfs/dbraw/zinc/57/17/74/1123571774.db2.gz WENRTMAEPVHQSW-LLVKDONJSA-N 0 1 267.310 3.835 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000896315924 1123572133 /nfs/dbraw/zinc/57/21/33/1123572133.db2.gz BGYZAYOFFRFNRR-PBINXNQUSA-N 0 1 297.807 3.658 20 0 CHADMN Cc1cnc(CCN(C)[C@@H](C)c2ccc(F)cc2F)s1 ZINC000157619933 1129130643 /nfs/dbraw/zinc/13/06/43/1129130643.db2.gz SPIBNOVRHHEZPX-NSHDSACASA-N 0 1 296.386 3.965 20 0 CHADMN CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000014193581 1123585945 /nfs/dbraw/zinc/58/59/45/1123585945.db2.gz KSGAMSMHULDXKB-UHFFFAOYSA-N 0 1 257.299 3.937 20 0 CHADMN C[C@@H]1CC[C@@H](Sc2nc(-c3ccccc3F)n[nH]2)C1 ZINC000543710434 1123586657 /nfs/dbraw/zinc/58/66/57/1123586657.db2.gz XMBSHMKOTDKEDW-NXEZZACHSA-N 0 1 277.368 3.892 20 0 CHADMN CCc1cccc(F)c1CNCc1ccc(O)c(F)c1 ZINC000474798449 1123589432 /nfs/dbraw/zinc/58/94/32/1123589432.db2.gz XSNHBXOTTVCTMV-UHFFFAOYSA-N 0 1 277.314 3.523 20 0 CHADMN CC(C)(C)c1cnc(CN2CCC[C@H]2C2CCC2)o1 ZINC000102927082 1123595791 /nfs/dbraw/zinc/59/57/91/1123595791.db2.gz GXYFUDQANWSANI-ZDUSSCGKSA-N 0 1 262.397 3.737 20 0 CHADMN CCc1ccc(C2=CCN(Cc3cc(C)ncn3)CC2)cc1 ZINC000428305423 1123608088 /nfs/dbraw/zinc/60/80/88/1123608088.db2.gz KQSKQRKJONETEO-UHFFFAOYSA-N 0 1 293.414 3.637 20 0 CHADMN Fc1cccc(CN2CCCC3(CCOCC3)C2)c1Cl ZINC000339005652 1123614678 /nfs/dbraw/zinc/61/46/78/1123614678.db2.gz UPHSEIZLGQJHJY-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN CCN(CC)Cc1cc(F)c(Br)cc1F ZINC001141909701 1123617311 /nfs/dbraw/zinc/61/73/11/1123617311.db2.gz CPIQBLXVJRZQEB-UHFFFAOYSA-N 0 1 278.140 3.569 20 0 CHADMN Cc1cc([C@H](N[C@@H]2CCCc3c[nH]nc32)C2CC2)ccc1F ZINC000857859602 1123621932 /nfs/dbraw/zinc/62/19/32/1123621932.db2.gz HBWQGLOBHGESER-IAGOWNOFSA-N 0 1 299.393 3.976 20 0 CHADMN Cc1cc(C)c(CN[C@H]2CCCc3c[nH]nc32)c(C)c1 ZINC000857851751 1123621968 /nfs/dbraw/zinc/62/19/68/1123621968.db2.gz QLYSONAVWRDBBD-INIZCTEOSA-N 0 1 269.392 3.502 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@@H]1CCCc2c[nH]nc21 ZINC000857856443 1123622234 /nfs/dbraw/zinc/62/22/34/1123622234.db2.gz LDKWHSWHIGBHIV-SSKCKEOISA-N 0 1 299.393 3.839 20 0 CHADMN CC(C)COc1cccc(CNCc2ccnc(F)c2)c1 ZINC000858107849 1123631708 /nfs/dbraw/zinc/63/17/08/1123631708.db2.gz ZPLYMISMQLMUQP-UHFFFAOYSA-N 0 1 288.366 3.545 20 0 CHADMN Fc1cc(CN[C@@H]2CCc3c2cccc3Cl)ccn1 ZINC000858118051 1123633166 /nfs/dbraw/zinc/63/31/66/1123633166.db2.gz LYBZXJPQUIJQLU-CQSZACIVSA-N 0 1 276.742 3.651 20 0 CHADMN C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCC(C)CC1 ZINC000007389347 1123637225 /nfs/dbraw/zinc/63/72/25/1123637225.db2.gz JVBXZCQORZPJBG-OAHLLOKOSA-N 0 1 296.414 3.899 20 0 CHADMN Cc1cccc2[nH]c(CN[C@H](C)c3ccns3)cc21 ZINC000858317931 1123644211 /nfs/dbraw/zinc/64/42/11/1123644211.db2.gz ILPFIXLHYUFORD-LLVKDONJSA-N 0 1 271.389 3.784 20 0 CHADMN Fc1cc(CN[C@@H]2CCc3ccc(Cl)cc32)ccn1 ZINC000858321365 1123645090 /nfs/dbraw/zinc/64/50/90/1123645090.db2.gz ZYSRCBYVJKCWHY-CQSZACIVSA-N 0 1 276.742 3.651 20 0 CHADMN COc1ccc([C@@H](NCc2cc(C)oc2C)C2CC2)cn1 ZINC000858342587 1123646091 /nfs/dbraw/zinc/64/60/91/1123646091.db2.gz VWDUPDJYCBYUSN-KRWDZBQOSA-N 0 1 286.375 3.541 20 0 CHADMN Cc1csc([C@H](C)N[C@H](C)C[C@@H](O)c2cccs2)n1 ZINC000858371242 1123648445 /nfs/dbraw/zinc/64/84/45/1123648445.db2.gz AABNBWSMHQJREP-ADEWGFFLSA-N 0 1 296.461 3.676 20 0 CHADMN CCc1cc(CN[C@@H]2CCc3cc(F)c(Cl)cc32)[nH]n1 ZINC000858366176 1123648501 /nfs/dbraw/zinc/64/85/01/1123648501.db2.gz XVDFJOFQNIRTLU-OAHLLOKOSA-N 0 1 293.773 3.542 20 0 CHADMN CCc1cc(CN[C@@H]2CCc3cc(F)c(Cl)cc32)n[nH]1 ZINC000858366176 1123648504 /nfs/dbraw/zinc/64/85/04/1123648504.db2.gz XVDFJOFQNIRTLU-OAHLLOKOSA-N 0 1 293.773 3.542 20 0 CHADMN C[C@@H]1C[C@H](Nc2ncc(-c3ccccc3)s2)CC[N@H+]1C ZINC000475041362 1123654502 /nfs/dbraw/zinc/65/45/02/1123654502.db2.gz XPLROPMTVDCDAQ-TZMCWYRMSA-N 0 1 287.432 3.705 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)Nc2nc(Cl)cs2)n[nH]1 ZINC000858514656 1123658998 /nfs/dbraw/zinc/65/89/98/1123658998.db2.gz VSUMQBVTLLMCLX-NKWVEPMBSA-N 0 1 285.804 3.601 20 0 CHADMN Cc1cccc2nc(O[C@H](C(C)C)C(F)(F)F)[nH]c21 ZINC001227271079 1123661268 /nfs/dbraw/zinc/66/12/68/1123661268.db2.gz HXCGAXRKTLYSLZ-LLVKDONJSA-N 0 1 272.270 3.837 20 0 CHADMN CC(C)[C@H]([NH2+]Cc1cccc([O-])c1Cl)C1CC1 ZINC000324262953 1123662196 /nfs/dbraw/zinc/66/21/96/1123662196.db2.gz LZEQGDAYJROMKQ-AWEZNQCLSA-N 0 1 253.773 3.570 20 0 CHADMN C[C@@H](c1cccnc1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000346086949 1123663313 /nfs/dbraw/zinc/66/33/13/1123663313.db2.gz USWYZIBOYNAPBC-GXTWGEPZSA-N 0 1 288.341 3.910 20 0 CHADMN COc1cccc2c1CCC[C@@H]2N[C@H](C)c1ccns1 ZINC000858576117 1123663842 /nfs/dbraw/zinc/66/38/42/1123663842.db2.gz ILBIRYHEIOJPOT-RISCZKNCSA-N 0 1 288.416 3.880 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccns2)c(C)c1 ZINC000858576088 1123664021 /nfs/dbraw/zinc/66/40/21/1123664021.db2.gz HUZKPWIRSXLSSP-NWDGAFQWSA-N 0 1 276.405 3.872 20 0 CHADMN COc1ccc2c(c1F)CC[C@H]2N[C@@H](C)c1ccns1 ZINC000858575442 1123664028 /nfs/dbraw/zinc/66/40/28/1123664028.db2.gz AKZLWIPKOBRQCN-JOYOIKCWSA-N 0 1 292.379 3.629 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCc3ccc(Cl)cc32)n(C)n1 ZINC000858582161 1123665905 /nfs/dbraw/zinc/66/59/05/1123665905.db2.gz NITWBZBDGIPNFV-IAQYHMDHSA-N 0 1 289.810 3.720 20 0 CHADMN Cc1cc(C2CCN(c3nc4ccccc4s3)CC2)[nH]n1 ZINC000346215533 1123671173 /nfs/dbraw/zinc/67/11/73/1123671173.db2.gz BCBJCFFKKMCBJQ-UHFFFAOYSA-N 0 1 298.415 3.712 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@H]([C@@H]3CCOC3)C2)s1 ZINC000346215501 1123671396 /nfs/dbraw/zinc/67/13/96/1123671396.db2.gz KKQQWWIECSBKPW-UONOGXRCSA-N 0 1 294.464 3.515 20 0 CHADMN Fc1cc(CN2CCC[C@H]2c2ccccc2)ccn1 ZINC000859049435 1123681742 /nfs/dbraw/zinc/68/17/42/1123681742.db2.gz CYNDPBNLJHXJMA-HNNXBMFYSA-N 0 1 256.324 3.558 20 0 CHADMN Cc1ccccc1[C@@H](C)N(C)Cc1ccnc(F)c1 ZINC000859088012 1123683324 /nfs/dbraw/zinc/68/33/24/1123683324.db2.gz GHXZAXYCGCXMOX-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN Cc1ccc(CN2CCCC[C@H]2c2ccnn2C)s1 ZINC000281166939 1123684580 /nfs/dbraw/zinc/68/45/80/1123684580.db2.gz GNYXTSAFXPAEKI-HNNXBMFYSA-N 0 1 275.421 3.517 20 0 CHADMN Fc1cc(CN2CCC(C3CCCC3)CC2)ccn1 ZINC000859149458 1123687374 /nfs/dbraw/zinc/68/73/74/1123687374.db2.gz YXGGPYXZWYXUEU-UHFFFAOYSA-N 0 1 262.372 3.623 20 0 CHADMN CCN(Cc1ccnc(F)c1)[C@@H](C)c1cccc(O)c1 ZINC000859157681 1123687388 /nfs/dbraw/zinc/68/73/88/1123687388.db2.gz LZWWJQVWSICVGC-LBPRGKRZSA-N 0 1 274.339 3.509 20 0 CHADMN Cc1cnc(CN2CCCC3(CCCCC3)CC2)nc1 ZINC000346650549 1123700698 /nfs/dbraw/zinc/70/06/98/1123700698.db2.gz PPYJEWDXXKPZMO-UHFFFAOYSA-N 0 1 273.424 3.721 20 0 CHADMN CC1(C)Cc2cc(CNc3ccc4nc[nH]c4c3)ccc2O1 ZINC000346667443 1123705930 /nfs/dbraw/zinc/70/59/30/1123705930.db2.gz QXACNGSRRSCXFZ-UHFFFAOYSA-N 0 1 293.370 3.889 20 0 CHADMN Fc1cc(CNc2ccc3nc[nH]c3c2)cc(F)c1F ZINC000346688030 1123707008 /nfs/dbraw/zinc/70/70/08/1123707008.db2.gz WCEWORWDVSVGEP-UHFFFAOYSA-N 0 1 277.249 3.592 20 0 CHADMN Cc1ncc([C@@H](C)NC2(c3ccc(F)cc3)CC2)c(C)n1 ZINC000346798370 1123713979 /nfs/dbraw/zinc/71/39/79/1123713979.db2.gz UQMPILYZTVOTDT-GFCCVEGCSA-N 0 1 285.366 3.572 20 0 CHADMN CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C)c2C)CC1 ZINC000522712480 1123720142 /nfs/dbraw/zinc/72/01/42/1123720142.db2.gz RPBFTVYUOJFYIE-MRXNPFEDSA-N 0 1 288.435 3.754 20 0 CHADMN CC[C@@H]1CCCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000522712480 1123720144 /nfs/dbraw/zinc/72/01/44/1123720144.db2.gz RPBFTVYUOJFYIE-MRXNPFEDSA-N 0 1 288.435 3.754 20 0 CHADMN COc1ccncc1CN(C)CCCCc1ccccc1 ZINC000346832072 1123725324 /nfs/dbraw/zinc/72/53/24/1123725324.db2.gz JHWUKVCSGRBRRY-UHFFFAOYSA-N 0 1 284.403 3.545 20 0 CHADMN CCN(Cc1cn(C(C)C)nc1C)Cc1ccccc1 ZINC000281614477 1123729765 /nfs/dbraw/zinc/72/97/65/1123729765.db2.gz NHCCMAGXIKFCQB-UHFFFAOYSA-N 0 1 271.408 3.795 20 0 CHADMN Fc1cncc(CNC2(c3ccc(Cl)cc3)CC2)c1 ZINC000346947677 1123735780 /nfs/dbraw/zinc/73/57/80/1123735780.db2.gz PNKCKEADZCAKGM-UHFFFAOYSA-N 0 1 276.742 3.653 20 0 CHADMN Cc1cccc([C@H](C)NCc2cnn(C)c2C(F)(F)F)c1 ZINC000346950485 1123735924 /nfs/dbraw/zinc/73/59/24/1123735924.db2.gz ZEHVAYUTNHJZAP-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN CC[C@@H](NCc1c(C)cc(C)nc1OC)c1ccccc1 ZINC000347004079 1123742256 /nfs/dbraw/zinc/74/22/56/1123742256.db2.gz AFRGOMSEBLMAIC-QGZVFWFLSA-N 0 1 284.403 3.948 20 0 CHADMN Cc1nn(C(C)C)cc1CN1C[C@H](C)[C@H]1c1ccccc1 ZINC000281757154 1123743376 /nfs/dbraw/zinc/74/33/76/1123743376.db2.gz WFTHSPZNLBMWLJ-KSSFIOAISA-N 0 1 283.419 3.965 20 0 CHADMN Cc1nn(C(C)C)cc1CN(Cc1ccccc1)C1CC1 ZINC000281787353 1123745626 /nfs/dbraw/zinc/74/56/26/1123745626.db2.gz XMZMJHIFWUJHAJ-UHFFFAOYSA-N 0 1 283.419 3.937 20 0 CHADMN Cc1cc(CN(C)Cc2ccccc2C)cc(Cl)n1 ZINC000320467518 1123749593 /nfs/dbraw/zinc/74/95/93/1123749593.db2.gz HFVZSBNMLPMKNG-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN COc1cccc(-c2nc(C[N@H+]3C[C@@H](C)C[C@@H]3C)co2)c1 ZINC000639493777 1123750349 /nfs/dbraw/zinc/75/03/49/1123750349.db2.gz CSCMWZRPYPPFQW-STQMWFEESA-N 0 1 286.375 3.581 20 0 CHADMN CCCOc1cccc(CNc2nccn2CC(C)C)c1 ZINC000508465416 1123755082 /nfs/dbraw/zinc/75/50/82/1123755082.db2.gz IEENBVWTYDJPHO-UHFFFAOYSA-N 0 1 287.407 3.940 20 0 CHADMN CCCC[C@H](CC)CNC(=O)c1n[nH]c2ccccc21 ZINC000029709423 1123763889 /nfs/dbraw/zinc/76/38/89/1123763889.db2.gz FAOSWUSDSLFXEV-LBPRGKRZSA-N 0 1 273.380 3.509 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)Nc1ccc(C)cc1 ZINC000336371273 1123765230 /nfs/dbraw/zinc/76/52/30/1123765230.db2.gz FPEGCHBRSMIBSU-UHFFFAOYSA-N 0 1 280.278 3.608 20 0 CHADMN Fc1ccc([C@H]2CN(CCc3cccs3)CCO2)cc1 ZINC000195313167 1129143827 /nfs/dbraw/zinc/14/38/27/1129143827.db2.gz ARJYKNTUCPHQMK-MRXNPFEDSA-N 0 1 291.391 3.503 20 0 CHADMN Cc1nocc1CN1CCC(c2cccc(F)c2F)CC1 ZINC000336367105 1123766046 /nfs/dbraw/zinc/76/60/46/1123766046.db2.gz XTCYYOXSIDZUPJ-UHFFFAOYSA-N 0 1 292.329 3.641 20 0 CHADMN Cc1cccc(CN(Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000339026955 1123778839 /nfs/dbraw/zinc/77/88/39/1123778839.db2.gz HVWOUWSLIYVUQP-GOSISDBHSA-N 0 1 285.387 3.769 20 0 CHADMN CCC(C)(C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000042336647 1123781848 /nfs/dbraw/zinc/78/18/48/1123781848.db2.gz DKQAONRWXKGSFA-NWDGAFQWSA-N 0 1 296.842 3.684 20 0 CHADMN CCCCCC[C@](C)(CC)C(=O)N1CCc2nc[nH]c2C1 ZINC000861761207 1123784653 /nfs/dbraw/zinc/78/46/53/1123784653.db2.gz ZIFICTOSHARIQA-KRWDZBQOSA-N 0 1 291.439 3.681 20 0 CHADMN CC[C@@H](NCc1ccn(C)c1)c1cc(F)ccc1F ZINC000158488505 1129145177 /nfs/dbraw/zinc/14/51/77/1129145177.db2.gz LJLCWFNSQSQFLH-OAHLLOKOSA-N 0 1 264.319 3.544 20 0 CHADMN CCc1cccc(Cl)c1CN(C)CCc1ccccn1 ZINC000475109319 1123794810 /nfs/dbraw/zinc/79/48/10/1123794810.db2.gz PZOGKXRYCPSUIA-UHFFFAOYSA-N 0 1 288.822 3.972 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1ccnc(F)c1C ZINC000862264669 1123796183 /nfs/dbraw/zinc/79/61/83/1123796183.db2.gz ZQNSWTIPJPNIRS-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN Cc1c(F)nccc1CNCc1ccccc1OC(C)C ZINC000862272953 1123797128 /nfs/dbraw/zinc/79/71/28/1123797128.db2.gz RXQLXOCHXSRIHN-UHFFFAOYSA-N 0 1 288.366 3.606 20 0 CHADMN Cc1nc(CN2C[C@H](C)C[C@H]2c2ccccc2)[nH]c1C ZINC000862365545 1123803225 /nfs/dbraw/zinc/80/32/25/1123803225.db2.gz BHFMBVBMNXBJQL-WBMJQRKESA-N 0 1 269.392 3.610 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccncn1)c1ccc(Cl)cc1 ZINC000395993744 1123812508 /nfs/dbraw/zinc/81/25/08/1123812508.db2.gz VOKLCDNDGUYGSD-MNOVXSKESA-N 0 1 261.756 3.542 20 0 CHADMN CC(C)C[C@@H](N[C@H](C)c1ccncn1)c1ccccc1 ZINC000396015504 1123813288 /nfs/dbraw/zinc/81/32/88/1123813288.db2.gz JPHHYUUPDPPOSN-RHSMWYFYSA-N 0 1 269.392 3.915 20 0 CHADMN CC(C)C[C@H](N[C@H](C)c1ccncn1)c1ccccc1 ZINC000396015502 1123813387 /nfs/dbraw/zinc/81/33/87/1123813387.db2.gz JPHHYUUPDPPOSN-PBHICJAKSA-N 0 1 269.392 3.915 20 0 CHADMN Cc1noc([C@H](C)N[C@H](C)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000475195224 1123819352 /nfs/dbraw/zinc/81/93/52/1123819352.db2.gz HPULWKLOQBFFBS-MXWKQRLJSA-N 0 1 293.798 3.874 20 0 CHADMN C[C@@H](NCc1ccn(C)c1)c1nc(-c2ccccc2)cs1 ZINC000158573599 1129147374 /nfs/dbraw/zinc/14/73/74/1129147374.db2.gz BBFVDRPYCALRLH-CYBMUJFWSA-N 0 1 297.427 3.999 20 0 CHADMN C[C@H](NC(=O)Nc1cc(O)c(F)c(F)c1)c1ccccc1 ZINC001202506814 1123821405 /nfs/dbraw/zinc/82/14/05/1123821405.db2.gz HTKXYEMDFRANHD-VIFPVBQESA-N 0 1 292.285 3.553 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCN1CC1=Cc2ccccc2OC1 ZINC000475271304 1123832819 /nfs/dbraw/zinc/83/28/19/1123832819.db2.gz CCMVGDNIHUHDLL-SMDDNHRTSA-N 0 1 297.320 3.735 20 0 CHADMN CCC[C@](C)(CC)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000475310367 1123838762 /nfs/dbraw/zinc/83/87/62/1123838762.db2.gz ORBCBOASDBXCBE-HNNXBMFYSA-N 0 1 259.353 3.718 20 0 CHADMN C[C@H](NC[C@@H](O)C1CCCCC1)c1c(F)cccc1F ZINC000475310443 1123838790 /nfs/dbraw/zinc/83/87/90/1123838790.db2.gz DJELLASJWZIADN-XHDPSFHLSA-N 0 1 283.362 3.557 20 0 CHADMN CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000475313479 1123839091 /nfs/dbraw/zinc/83/90/91/1123839091.db2.gz OEGGAKUPDOVHDV-WCQYABFASA-N 0 1 271.364 3.718 20 0 CHADMN CC(C)=CCCN[C@H](C)c1ncc(Br)s1 ZINC000276974057 1129149090 /nfs/dbraw/zinc/14/90/90/1129149090.db2.gz YFCYEWPQPUHRMK-SECBINFHSA-N 0 1 289.242 3.913 20 0 CHADMN CC[C@@H]1CC(=O)N(CN(C)[C@@H](c2ccccc2)C(C)C)C1 ZINC000119315998 1123847915 /nfs/dbraw/zinc/84/79/15/1123847915.db2.gz WQKLFEXDPHCNCA-CRAIPNDOSA-N 0 1 288.435 3.532 20 0 CHADMN C[C@H](C1CC1)N(CC(=O)c1cccn1C)Cc1ccccc1 ZINC000192864106 1123848821 /nfs/dbraw/zinc/84/88/21/1123848821.db2.gz DEWPCGVFMHLVBX-OAHLLOKOSA-N 0 1 296.414 3.509 20 0 CHADMN CC(C)=CCC[C@H](C)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000456068538 1123851386 /nfs/dbraw/zinc/85/13/86/1123851386.db2.gz XBXGMBUIEUGIFV-NSHDSACASA-N 0 1 289.354 3.567 20 0 CHADMN Cc1nc(CN(CCC(C)C)C2CC2)c(C)s1 ZINC000336686447 1123865970 /nfs/dbraw/zinc/86/59/70/1123865970.db2.gz GCSSSGILUQBWBK-UHFFFAOYSA-N 0 1 252.427 3.770 20 0 CHADMN CCN(Cc1cccs1)Cc1cncc(Cl)c1 ZINC000621243348 1129152975 /nfs/dbraw/zinc/15/29/75/1129152975.db2.gz WWLUJCATFBWJNC-UHFFFAOYSA-N 0 1 266.797 3.819 20 0 CHADMN Cc1oc(-c2ccccc2)cc1-c1nc([C@H](N)C(C)C)no1 ZINC000863657604 1123884529 /nfs/dbraw/zinc/88/45/29/1123884529.db2.gz VOWPMOGQADQFHM-OAHLLOKOSA-N 0 1 297.358 3.961 20 0 CHADMN Cc1ccc(-c2nc([C@@H](N)C(C)C)no2)cc1C(F)(F)F ZINC000863657024 1123885324 /nfs/dbraw/zinc/88/53/24/1123885324.db2.gz PXYKGZQGCFEJIO-NSHDSACASA-N 0 1 299.296 3.720 20 0 CHADMN Cc1ccc(-c2nc([C@H](N)C(C)C)no2)cc1C(F)(F)F ZINC000863657023 1123885469 /nfs/dbraw/zinc/88/54/69/1123885469.db2.gz PXYKGZQGCFEJIO-LLVKDONJSA-N 0 1 299.296 3.720 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccc(Cl)nc1 ZINC000840875396 1123887079 /nfs/dbraw/zinc/88/70/79/1123887079.db2.gz GKFMOLKIMVBHLA-MVWJERBFSA-N 0 1 256.752 3.666 20 0 CHADMN Cc1cccc(CNc2ccnc3cc(F)ccc32)n1 ZINC000301287331 1123887668 /nfs/dbraw/zinc/88/76/68/1123887668.db2.gz RXGKSXVLSCCJIO-UHFFFAOYSA-N 0 1 267.307 3.689 20 0 CHADMN c1nc(CSc2n[nH]c(CCC3CCCC3)n2)cs1 ZINC000863860012 1123899866 /nfs/dbraw/zinc/89/98/66/1123899866.db2.gz ALLKTWSFOJGRSD-UHFFFAOYSA-N 0 1 294.449 3.676 20 0 CHADMN c1nc(CSc2nc(CCC3CCCC3)n[nH]2)cs1 ZINC000863860012 1123899871 /nfs/dbraw/zinc/89/98/71/1123899871.db2.gz ALLKTWSFOJGRSD-UHFFFAOYSA-N 0 1 294.449 3.676 20 0 CHADMN C[C@H](C[N@H+]1CCC[C@H]1c1ncc[nH]1)C1CCCCC1 ZINC000339064897 1123900847 /nfs/dbraw/zinc/90/08/47/1123900847.db2.gz WVRXAEMFBSYUDM-HIFRSBDPSA-N 0 1 261.413 3.763 20 0 CHADMN Cc1cc(C)c(CNc2ccnc3cc(F)ccc32)c(=O)[nH]1 ZINC000301500520 1123906204 /nfs/dbraw/zinc/90/62/04/1123906204.db2.gz DNZGLLSRVRJINB-UHFFFAOYSA-N 0 1 297.333 3.703 20 0 CHADMN COc1cc(C)ccc1CN[C@H](C)c1ccnc(Cl)c1 ZINC000119844560 1123917827 /nfs/dbraw/zinc/91/78/27/1123917827.db2.gz HUOVGFHECSPDOZ-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN COC(C)(C)CNc1cc(C)nc2ccc(F)cc21 ZINC000301646395 1123920415 /nfs/dbraw/zinc/92/04/15/1123920415.db2.gz DEWYIODUJVBRLL-UHFFFAOYSA-N 0 1 262.328 3.519 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)/C(C)=C(/C)CC)c1 ZINC000794611311 1123922573 /nfs/dbraw/zinc/92/25/73/1123922573.db2.gz ZEVAOYHPOXHKFY-KHPPLWFESA-N 0 1 275.348 3.670 20 0 CHADMN Cc1cc(N[C@H]2CCC[C@]2(C)CO)c2cc(F)ccc2n1 ZINC000301687639 1123924487 /nfs/dbraw/zinc/92/44/87/1123924487.db2.gz VFMJXXJNDYCKJW-DLBZAZTESA-N 0 1 288.366 3.645 20 0 CHADMN CSCC[C@@H](C)N(C)c1ccnc2cc(F)ccc21 ZINC000301735420 1123928353 /nfs/dbraw/zinc/92/83/53/1123928353.db2.gz HAPPEMBGCNUOME-LLVKDONJSA-N 0 1 278.396 3.952 20 0 CHADMN FC(F)(F)c1ccc2c(c1)nccc2N[C@H]1CCCOC1 ZINC000301785486 1123932206 /nfs/dbraw/zinc/93/22/06/1123932206.db2.gz LBHMAQPNNJBKIM-NSHDSACASA-N 0 1 296.292 3.845 20 0 CHADMN Fc1ccc2c(c1)nccc2N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000301805106 1123934532 /nfs/dbraw/zinc/93/45/32/1123934532.db2.gz DWJIZXSGPYXWMP-KBRIMQKVSA-N 0 1 298.361 3.743 20 0 CHADMN Cc1cc(NCc2nc3cccc(C)c3[nH]2)nc(C(C)C)n1 ZINC000301883300 1123940750 /nfs/dbraw/zinc/94/07/50/1123940750.db2.gz LBVSHDWPCNTUAF-UHFFFAOYSA-N 0 1 295.390 3.705 20 0 CHADMN CCOCCN(C)c1ccnc2cc(C(F)(F)F)ccc21 ZINC000301965880 1123947386 /nfs/dbraw/zinc/94/73/86/1123947386.db2.gz XRMPHWYCGQOCNV-UHFFFAOYSA-N 0 1 298.308 3.726 20 0 CHADMN COc1ccc([C@@H](NCc2cccnc2F)C(C)C)cc1 ZINC000794830326 1123962393 /nfs/dbraw/zinc/96/23/93/1123962393.db2.gz WUXWVAPKGWKNCI-INIZCTEOSA-N 0 1 288.366 3.716 20 0 CHADMN CC[C@@H](NCc1cccnc1F)c1cccs1 ZINC000794833691 1123965681 /nfs/dbraw/zinc/96/56/81/1123965681.db2.gz HOTOYFFGMYBXQE-LLVKDONJSA-N 0 1 250.342 3.523 20 0 CHADMN CC[C@@H](C(=O)N1Cc2ccccc2-c2ccccc21)N(C)C ZINC000665705768 1123969313 /nfs/dbraw/zinc/96/93/13/1123969313.db2.gz QFPVRTMYIRXDMS-KRWDZBQOSA-N 0 1 294.398 3.540 20 0 CHADMN C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)C(C)(C)C ZINC000865347350 1123972287 /nfs/dbraw/zinc/97/22/87/1123972287.db2.gz XVEWXRULWHOUPD-JTQLQIEISA-N 0 1 289.404 3.568 20 0 CHADMN c1ccc(-c2n[nH]c(SCOC3CCCCC3)n2)cc1 ZINC000865346792 1123972613 /nfs/dbraw/zinc/97/26/13/1123972613.db2.gz OQYODRPVLQFBJU-UHFFFAOYSA-N 0 1 289.404 3.871 20 0 CHADMN Cc1noc([C@@H](C)NCCCCc2cccc(Cl)c2)n1 ZINC000621278334 1129156971 /nfs/dbraw/zinc/15/69/71/1129156971.db2.gz LCNFCXVDLAQGIV-LLVKDONJSA-N 0 1 293.798 3.705 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(Cl)nc(C2CC2)n1 ZINC000302699325 1123978111 /nfs/dbraw/zinc/97/81/11/1123978111.db2.gz HKLYKUHRUFCABW-UHFFFAOYSA-N 0 1 299.765 3.936 20 0 CHADMN Cc1c(Cl)cccc1CN[C@H](C)c1ccccn1 ZINC000865400938 1123979878 /nfs/dbraw/zinc/97/98/78/1123979878.db2.gz DWGGEAVTKCODQZ-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN CC(C)[C@H](NCc1cn(C2CC2)cn1)c1ccccc1 ZINC000865405813 1123981303 /nfs/dbraw/zinc/98/13/03/1123981303.db2.gz XAPBQIXDXWSHKI-KRWDZBQOSA-N 0 1 269.392 3.705 20 0 CHADMN Cc1ccc(CNCc2cnc(Cl)c(F)c2)c(C)c1 ZINC000865419259 1123981910 /nfs/dbraw/zinc/98/19/10/1123981910.db2.gz USFOMBSERYIGGT-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1cccnc1F ZINC000794836943 1123983910 /nfs/dbraw/zinc/98/39/10/1123983910.db2.gz SKPXXTZAKVIILA-MEDUHNTESA-N 0 1 288.341 3.773 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1cccnc1F ZINC000794836941 1123984481 /nfs/dbraw/zinc/98/44/81/1123984481.db2.gz SKPXXTZAKVIILA-BZNIZROVSA-N 0 1 288.341 3.773 20 0 CHADMN Cc1cnc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000302852902 1123986853 /nfs/dbraw/zinc/98/68/53/1123986853.db2.gz QMYDTTHJZCOGOG-OAHLLOKOSA-N 0 1 287.432 3.528 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000380310778 1123989097 /nfs/dbraw/zinc/98/90/97/1123989097.db2.gz UWBLOXLTAZWZRM-SCVCMEIPSA-N 0 1 299.773 3.583 20 0 CHADMN Fc1ccc(CNCc2cccc(CC3CCC3)c2)nc1 ZINC000865494177 1123989442 /nfs/dbraw/zinc/98/94/42/1123989442.db2.gz SKTQAORQJFUFMX-UHFFFAOYSA-N 0 1 284.378 3.853 20 0 CHADMN Cc1ncsc1CN(C)c1ccncc1C(F)(F)F ZINC000865528037 1123992553 /nfs/dbraw/zinc/99/25/53/1123992553.db2.gz NELGQFBWQKYQSS-UHFFFAOYSA-N 0 1 287.310 3.502 20 0 CHADMN Cc1nc(C)c(CN[C@H](C)c2ccnn2C2CCC2)s1 ZINC000925147269 1123993293 /nfs/dbraw/zinc/99/32/93/1123993293.db2.gz HSZWXTXOBBZEIV-SNVBAGLBSA-N 0 1 290.436 3.532 20 0 CHADMN CC(C)(C)c1csc(CNCC2(C(F)(F)F)CC2)n1 ZINC000865565082 1123995114 /nfs/dbraw/zinc/99/51/14/1123995114.db2.gz UFEUNTGCWHFMHT-UHFFFAOYSA-N 0 1 292.370 3.873 20 0 CHADMN Cc1cc(C)c(/C=C\CN[C@@H]2CCn3ccnc32)cc1C ZINC000865582425 1123996640 /nfs/dbraw/zinc/99/66/40/1123996640.db2.gz IZCQDUZJJPAIHW-VGOKWCNXSA-N 0 1 281.403 3.556 20 0 CHADMN Cc1cc(CNc2nccn2C2CC2)cc2cccnc12 ZINC000840886972 1124003118 /nfs/dbraw/zinc/00/31/18/1124003118.db2.gz POGGSRKKNXZMMB-UHFFFAOYSA-N 0 1 278.359 3.687 20 0 CHADMN C[C@H](NCc1coc(C2CC2)n1)[C@]12C[C@H]1CCCC2 ZINC000865704230 1124006462 /nfs/dbraw/zinc/00/64/62/1124006462.db2.gz QFBMZBKRPXRYHE-GHJWDPDVSA-N 0 1 260.381 3.610 20 0 CHADMN Fc1cc(CNCc2ccc(CC(F)(F)F)cc2)ccn1 ZINC000865720876 1124007387 /nfs/dbraw/zinc/00/73/87/1124007387.db2.gz KCZXSPZNISKNGM-UHFFFAOYSA-N 0 1 298.283 3.615 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCN1c1ccncc1C(F)(F)F ZINC000865740182 1124010014 /nfs/dbraw/zinc/01/00/14/1124010014.db2.gz ADFGFJMDAXBVHK-HTQZYQBOSA-N 0 1 298.230 3.878 20 0 CHADMN C[C@H](Nc1ccc2cnccc2c1)[C@@H]1CCCCO1 ZINC000653465992 1124012150 /nfs/dbraw/zinc/01/21/50/1124012150.db2.gz VDOOJWPVCGQGNE-LRDDRELGSA-N 0 1 256.349 3.604 20 0 CHADMN Cc1sccc1CNCc1ccc(Br)cn1 ZINC000865810095 1124016521 /nfs/dbraw/zinc/01/65/21/1124016521.db2.gz LNOJLIQULOGDJN-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@H](C)c1cc2cnccc2o1 ZINC000865854212 1124021804 /nfs/dbraw/zinc/02/18/04/1124021804.db2.gz NAELUELCEMIWMI-CYBMUJFWSA-N 0 1 298.390 3.764 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@@H](C)c1cc2ccccc2o1 ZINC000035011485 1124022483 /nfs/dbraw/zinc/02/24/83/1124022483.db2.gz YWKXUCIVOHAWPY-LBPRGKRZSA-N 0 1 283.375 3.634 20 0 CHADMN COc1ccc(CC[C@H](C)N[C@@H](C)C(C)(F)F)cc1 ZINC000389461637 1124028960 /nfs/dbraw/zinc/02/89/60/1124028960.db2.gz DJTHNYXPYHSGQR-RYUDHWBXSA-N 0 1 271.351 3.650 20 0 CHADMN C[C@H](NCCCCc1cccc(Cl)c1)c1csnn1 ZINC000621302089 1129162137 /nfs/dbraw/zinc/16/21/37/1129162137.db2.gz RNXUNMURVCBUFZ-NSHDSACASA-N 0 1 295.839 3.865 20 0 CHADMN C[C@@H]1CCc2ccc(F)cc2[C@H]1NCc1ccco1 ZINC000866215517 1124038932 /nfs/dbraw/zinc/03/89/32/1124038932.db2.gz ZIXJBPPOZWBRIY-BZNIZROVSA-N 0 1 259.324 3.832 20 0 CHADMN Cc1n[nH]cc1CN[C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000717940568 1129162378 /nfs/dbraw/zinc/16/23/78/1129162378.db2.gz AFAUZCFYPCITOT-QMMMGPOBSA-N 0 1 289.326 3.649 20 0 CHADMN Cc1cccc(F)c1CN[C@H]1CCCc2ncccc21 ZINC000866273982 1124045665 /nfs/dbraw/zinc/04/56/65/1124045665.db2.gz FQILHSPSPGZEOP-KRWDZBQOSA-N 0 1 270.351 3.696 20 0 CHADMN Fc1cccc(CN[C@@H]2CCCc3c(F)cccc32)n1 ZINC000866310059 1124049812 /nfs/dbraw/zinc/04/98/12/1124049812.db2.gz SXPZOHZHBDUKLQ-OAHLLOKOSA-N 0 1 274.314 3.527 20 0 CHADMN OC[C@H](N[C@H]1CCCc2c(F)cccc21)c1ccsc1 ZINC000866342526 1124054690 /nfs/dbraw/zinc/05/46/90/1124054690.db2.gz WPCHAXVAVGKCKA-HOTGVXAUSA-N 0 1 291.391 3.588 20 0 CHADMN CN(CC[C@@H]1CCCCO1)Cc1cc(Cl)ccc1F ZINC000444700865 1124055280 /nfs/dbraw/zinc/05/52/80/1124055280.db2.gz GEUKBQAHZKPCLG-AWEZNQCLSA-N 0 1 285.790 3.870 20 0 CHADMN CC(C)[C@@H]1CCCN([C@@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000444746096 1124059120 /nfs/dbraw/zinc/05/91/20/1124059120.db2.gz CHXGSLLTXIKGDH-JKSUJKDBSA-N 0 1 298.434 3.696 20 0 CHADMN CCc1ncc(CN[C@H]2c3cc(F)ccc3CC[C@H]2C)o1 ZINC000866371047 1124059572 /nfs/dbraw/zinc/05/95/72/1124059572.db2.gz HHSONCBFULFATH-PIGZYNQJSA-N 0 1 288.366 3.789 20 0 CHADMN Fc1ccccc1-n1ccc(CN2CCCC23CCC3)n1 ZINC000444780930 1124059877 /nfs/dbraw/zinc/05/98/77/1124059877.db2.gz NRYKRPXKSSRTRP-UHFFFAOYSA-N 0 1 285.366 3.530 20 0 CHADMN C[C@H](CCc1cccnc1)NCC(F)(F)C(C)(C)C ZINC000866391656 1124060866 /nfs/dbraw/zinc/06/08/66/1124060866.db2.gz MRNFHVBSXXOZET-GFCCVEGCSA-N 0 1 270.367 3.674 20 0 CHADMN CCCC[C@@H](NCc1nccnc1C)c1ccc(OC)cc1 ZINC000621333840 1129163749 /nfs/dbraw/zinc/16/37/49/1129163749.db2.gz SRMFTOFHZXPNKL-QGZVFWFLSA-N 0 1 299.418 3.815 20 0 CHADMN CC(C)[C@@H]1CCCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000444771414 1124062635 /nfs/dbraw/zinc/06/26/35/1124062635.db2.gz JBCCGQCMANVPPJ-ZIAGYGMSSA-N 0 1 299.418 3.764 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3F)[nH]n2)o1 ZINC000195601638 1124066692 /nfs/dbraw/zinc/06/66/92/1124066692.db2.gz LQYJVVIUXRPJIL-UHFFFAOYSA-N 0 1 299.305 3.678 20 0 CHADMN CC(C)c1nc(CN[C@@H](c2ccc(F)cc2)C(C)C)n[nH]1 ZINC000428378472 1124067653 /nfs/dbraw/zinc/06/76/53/1124067653.db2.gz AADMFHIAMXOGMX-OAHLLOKOSA-N 0 1 290.386 3.554 20 0 CHADMN CCC[C@@H](NCc1cncc(OCC)c1)c1ccccn1 ZINC000621333719 1129164142 /nfs/dbraw/zinc/16/41/42/1129164142.db2.gz OFVRXHZDXZRWIZ-MRXNPFEDSA-N 0 1 285.391 3.506 20 0 CHADMN Cc1ccc([C@H](NCc2ccnc(F)c2)C2CCC2)o1 ZINC000866472571 1124068911 /nfs/dbraw/zinc/06/89/11/1124068911.db2.gz BMMRTNFECIMBPT-MRXNPFEDSA-N 0 1 274.339 3.753 20 0 CHADMN CSc1ccc([C@@H](C)NCc2ccnc(F)c2)cc1F ZINC000866473701 1124070521 /nfs/dbraw/zinc/07/05/21/1124070521.db2.gz PPVGAOSYFLNMCS-SNVBAGLBSA-N 0 1 294.370 3.933 20 0 CHADMN CS[C@H]1C[C@H](N[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000866488121 1124072688 /nfs/dbraw/zinc/07/26/88/1124072688.db2.gz KHUVZBQCDYHYCF-ZOBUZTSGSA-N 0 1 284.428 3.655 20 0 CHADMN CCCc1nc(C)c(NC(=O)c2cn[nH]c2C(C)C)s1 ZINC000445217479 1124077120 /nfs/dbraw/zinc/07/71/20/1124077120.db2.gz QABOAMYXYPZCQT-UHFFFAOYSA-N 0 1 292.408 3.503 20 0 CHADMN Cc1cccc(N(Cc2n[nH]c(C(C)C)n2)C(C)C)c1 ZINC000428395832 1124077487 /nfs/dbraw/zinc/07/74/87/1124077487.db2.gz FRMVLURZJPCQCP-UHFFFAOYSA-N 0 1 272.396 3.652 20 0 CHADMN CCC[C@H](N[C@H](C)c1ccnn1C)c1ccsc1 ZINC000866613871 1124088517 /nfs/dbraw/zinc/08/85/17/1124088517.db2.gz JRDFMJMGJYZHCS-YPMHNXCESA-N 0 1 263.410 3.674 20 0 CHADMN C[C@H]1Cc2ccccc2[C@H]1NCc1noc2cc(F)ccc12 ZINC000866611133 1124088569 /nfs/dbraw/zinc/08/85/69/1124088569.db2.gz QSPNPHYEFIRRDP-VOJFVSQTSA-N 0 1 296.345 3.990 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H](C)Sc2sccc21)c1ccnn1C ZINC000866614099 1124089058 /nfs/dbraw/zinc/08/90/58/1124089058.db2.gz XZUUMUWTMLZOGW-HOSYDEDBSA-N 0 1 293.461 3.758 20 0 CHADMN C[C@H](N[C@H]1CCc2cc(F)c(Cl)cc21)c1ccnn1C ZINC000866614228 1124089466 /nfs/dbraw/zinc/08/94/66/1124089466.db2.gz LTKMLQQFCFUNGK-XPTSAGLGSA-N 0 1 293.773 3.551 20 0 CHADMN Cc1cc(CC(=O)Nc2ccccc2-c2cccs2)n[nH]1 ZINC000445676156 1124097336 /nfs/dbraw/zinc/09/73/36/1124097336.db2.gz PUUKUSVXXSWAPP-UHFFFAOYSA-N 0 1 297.383 3.628 20 0 CHADMN Fc1ccc2c(c1)nccc2NCC[C@@H]1CC1(F)F ZINC000621345050 1129166065 /nfs/dbraw/zinc/16/60/65/1129166065.db2.gz AYNBDCPUVIZHFD-SECBINFHSA-N 0 1 266.266 3.831 20 0 CHADMN Cc1nccnc1CN[C@@H](CC1CCC1)c1ccccc1 ZINC000621343655 1129166111 /nfs/dbraw/zinc/16/61/11/1129166111.db2.gz MKWXGCVEBINODE-KRWDZBQOSA-N 0 1 281.403 3.806 20 0 CHADMN CCSCCCc1noc(-c2cc(Cl)ccc2O)n1 ZINC000445756086 1124099273 /nfs/dbraw/zinc/09/92/73/1124099273.db2.gz JVSWPPNZZPVQIQ-UHFFFAOYSA-N 0 1 298.795 3.781 20 0 CHADMN Cc1ccccc1[C@@H](C)[N@H+]1CCc2ncsc2C1 ZINC000445878857 1124104931 /nfs/dbraw/zinc/10/49/31/1124104931.db2.gz WSWODFGAYSHOSC-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN Cc1ccccc1[C@@H](C)N1CCc2ncsc2C1 ZINC000445878857 1124104932 /nfs/dbraw/zinc/10/49/32/1124104932.db2.gz WSWODFGAYSHOSC-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN C[C@H](Cc1ccoc1)N[C@H](CF)c1ccc(F)cc1 ZINC000631798316 1124106970 /nfs/dbraw/zinc/10/69/70/1124106970.db2.gz QQYZHHLHUCMAND-IAQYHMDHSA-N 0 1 265.303 3.650 20 0 CHADMN Cc1nc2ccc(Cn3cnc4cc(F)c(F)cc43)cc2[nH]1 ZINC000446068307 1124109033 /nfs/dbraw/zinc/10/90/33/1124109033.db2.gz HLVKWHOYKXGDMV-UHFFFAOYSA-N 0 1 298.296 3.548 20 0 CHADMN Cc1cccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000446142166 1124110106 /nfs/dbraw/zinc/11/01/06/1124110106.db2.gz ZHCXEQCRBJJZFJ-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN FC(F)(F)c1cc2nc(-c3cccs3)[nH]c2cn1 ZINC000446144942 1124110150 /nfs/dbraw/zinc/11/01/50/1124110150.db2.gz OEVLULPALBZPRC-UHFFFAOYSA-N 0 1 269.251 3.705 20 0 CHADMN FC(F)(F)c1cc2nc(-c3cccs3)nc-2c[nH]1 ZINC000446144942 1124110151 /nfs/dbraw/zinc/11/01/51/1124110151.db2.gz OEVLULPALBZPRC-UHFFFAOYSA-N 0 1 269.251 3.705 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000525123818 1124115835 /nfs/dbraw/zinc/11/58/35/1124115835.db2.gz BWNMKJLQTSRLCM-KDOFPFPSSA-N 0 1 285.362 3.788 20 0 CHADMN CCCN(CC1CCCCC1)C(=O)CN1CCC(C)CC1 ZINC001142094725 1124118376 /nfs/dbraw/zinc/11/83/76/1124118376.db2.gz NGEBIPVALPESKW-UHFFFAOYSA-N 0 1 294.483 3.537 20 0 CHADMN CCC1(CC)CCN([C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000446709808 1124118641 /nfs/dbraw/zinc/11/86/41/1124118641.db2.gz CIDJXNRSMDCITK-GFCCVEGCSA-N 0 1 279.428 3.940 20 0 CHADMN CCc1cnc(CN2CCC[C@]3(CC=CCC3)C2)o1 ZINC000525273104 1124119003 /nfs/dbraw/zinc/11/90/03/1124119003.db2.gz XHGFDRPMJFFHTE-MRXNPFEDSA-N 0 1 260.381 3.559 20 0 CHADMN Cc1sc(NC(=O)CN2CC[C@@H](C(C)C)C2)c(C)c1C ZINC000446732117 1124119350 /nfs/dbraw/zinc/11/93/50/1124119350.db2.gz OKMIAGBCNVYSFM-CQSZACIVSA-N 0 1 294.464 3.590 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@@H]2c2cccs2)o1 ZINC000428452165 1124120435 /nfs/dbraw/zinc/12/04/35/1124120435.db2.gz JWVOOLFGQOKBDI-GFCCVEGCSA-N 0 1 276.405 3.944 20 0 CHADMN CN(Cc1cnc(C(F)(F)F)s1)C[C@H]1CC=CCC1 ZINC000446754889 1124121600 /nfs/dbraw/zinc/12/16/00/1124121600.db2.gz YLHJASTYZBHHKQ-JTQLQIEISA-N 0 1 290.354 3.950 20 0 CHADMN Cc1ncsc1CNCc1ccc(OCC2CC2)cc1 ZINC000359722558 1124121956 /nfs/dbraw/zinc/12/19/56/1124121956.db2.gz PSLIRWPGRXOHEC-UHFFFAOYSA-N 0 1 288.416 3.530 20 0 CHADMN CCOc1ccc(-c2nc(CN(C)CC(C)C)co2)cc1 ZINC000446757715 1124122009 /nfs/dbraw/zinc/12/20/09/1124122009.db2.gz CJIPKVILIWUQBG-UHFFFAOYSA-N 0 1 288.391 3.828 20 0 CHADMN CC(C)(C)CCN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000446757616 1124122048 /nfs/dbraw/zinc/12/20/48/1124122048.db2.gz VDMWNTXYJLDODC-CQSZACIVSA-N 0 1 257.381 3.525 20 0 CHADMN C=Cn1cc(CN2[C@H](C)Cc3cc(OC)ccc3[C@@H]2C)cn1 ZINC000446757745 1124122124 /nfs/dbraw/zinc/12/21/24/1124122124.db2.gz CVXFVWKHNBAXFE-KGLIPLIRSA-N 0 1 297.402 3.500 20 0 CHADMN Cc1[nH]ncc1CN1C[C@H](c2ccccc2)c2ccccc21 ZINC000446845031 1124125533 /nfs/dbraw/zinc/12/55/33/1124125533.db2.gz XJXVBDPECFLTAL-GOSISDBHSA-N 0 1 289.382 3.870 20 0 CHADMN Clc1cncc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000621321852 1129167589 /nfs/dbraw/zinc/16/75/89/1129167589.db2.gz AWEFDCDMCJIYAU-GDBMZVCRSA-N 0 1 294.826 3.516 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1csc(-c2ccoc2)n1 ZINC000525410356 1124127425 /nfs/dbraw/zinc/12/74/25/1124127425.db2.gz FOPDAKBJQOTDQT-WDEREUQCSA-N 0 1 262.378 3.633 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccns1)c1cccc(-n2cccn2)c1 ZINC000925188818 1124127969 /nfs/dbraw/zinc/12/79/69/1124127969.db2.gz NDDHVAAXLAZKIN-OLZOCXBDSA-N 0 1 298.415 3.741 20 0 CHADMN CCN(Cc1n[nH]c(C(C)C)n1)Cc1cccc(Cl)c1 ZINC000428462915 1124129829 /nfs/dbraw/zinc/12/98/29/1124129829.db2.gz MHRCXXFENRWBCB-UHFFFAOYSA-N 0 1 292.814 3.604 20 0 CHADMN CC[C@H](NCc1cccc2ncccc12)c1nccs1 ZINC000634963280 1129167862 /nfs/dbraw/zinc/16/78/62/1129167862.db2.gz OSNBSVFNQOLEFW-AWEZNQCLSA-N 0 1 283.400 3.932 20 0 CHADMN CSc1ccccc1CSCc1n[nH]c(C2CC2)n1 ZINC000447044987 1124131628 /nfs/dbraw/zinc/13/16/28/1124131628.db2.gz RIOBDSZIAWBOJJ-UHFFFAOYSA-N 0 1 291.445 3.837 20 0 CHADMN CC(C)c1nc(CN(Cc2ccccc2)CC2CCC2)n[nH]1 ZINC000428467391 1124132133 /nfs/dbraw/zinc/13/21/33/1124132133.db2.gz YKKZOGYOZKYVOC-UHFFFAOYSA-N 0 1 298.434 3.730 20 0 CHADMN CC(C)(C)c1cc(CN2CCC[C@H]3CCC[C@@H]32)no1 ZINC000429697266 1124134068 /nfs/dbraw/zinc/13/40/68/1124134068.db2.gz TWEVFDZZTMLVJR-OCCSQVGLSA-N 0 1 262.397 3.737 20 0 CHADMN COc1ccc(F)c(CNCc2cc(F)ccc2C)c1 ZINC000621374940 1129168329 /nfs/dbraw/zinc/16/83/29/1129168329.db2.gz GCZWTFPKWZBQPK-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN Cc1cnccc1CCN[C@@H](C(F)F)C1CCCCC1 ZINC000621400626 1129172674 /nfs/dbraw/zinc/17/26/74/1129172674.db2.gz MYSNNSVZIFFUGN-OAHLLOKOSA-N 0 1 282.378 3.736 20 0 CHADMN FC(F)[C@@H](NCC[C@H]1CCCCO1)C1CCCCC1 ZINC000621400718 1129172972 /nfs/dbraw/zinc/17/29/72/1129172972.db2.gz PYANPKDKIQLYQE-KGLIPLIRSA-N 0 1 275.383 3.749 20 0 CHADMN COC1(CCN[C@@H](C(F)F)C2CCCCC2)CCC1 ZINC000621400744 1129173094 /nfs/dbraw/zinc/17/30/94/1129173094.db2.gz QGWLGCLXVFJNLO-CYBMUJFWSA-N 0 1 275.383 3.749 20 0 CHADMN FCCCCCN[C@H](C(F)F)C1CCCCC1 ZINC000621402276 1129173423 /nfs/dbraw/zinc/17/34/23/1129173423.db2.gz YTJCHEYSHLGRJC-LBPRGKRZSA-N 0 1 251.336 3.930 20 0 CHADMN Cc1cc(F)cc(C[N@H+]2CCCOC(C)(C)C2)c1Cl ZINC001238782794 1131245933 /nfs/dbraw/zinc/24/59/33/1131245933.db2.gz YORSSZRHDSUGKF-UHFFFAOYSA-N 0 1 285.790 3.788 20 0 CHADMN Cc1cc(F)cc(CN2CCCOC(C)(C)C2)c1Cl ZINC001238782794 1131245937 /nfs/dbraw/zinc/24/59/37/1131245937.db2.gz YORSSZRHDSUGKF-UHFFFAOYSA-N 0 1 285.790 3.788 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CCC2(CCCO2)CC1 ZINC001238784264 1131247641 /nfs/dbraw/zinc/24/76/41/1131247641.db2.gz GKEKWTWJVLJOEC-UHFFFAOYSA-N 0 1 297.801 3.933 20 0 CHADMN CCCc1ccc(-n2[nH]c(C3CCC3)cc2=O)cc1 ZINC001245924365 1131249219 /nfs/dbraw/zinc/24/92/19/1131249219.db2.gz CMFVROZNRVWHIN-UHFFFAOYSA-N 0 1 256.349 3.798 20 0 CHADMN Cc1csc([C@H]2CCN(Cc3ncoc3C(C)C)C2)n1 ZINC001119268675 1131249336 /nfs/dbraw/zinc/24/93/36/1131249336.db2.gz KNMPYBXBHFZVPG-LBPRGKRZSA-N 0 1 291.420 3.552 20 0 CHADMN Cc1cccnc1CN1CCc2ccsc2[C@H]1C ZINC001119325169 1131251391 /nfs/dbraw/zinc/25/13/91/1131251391.db2.gz HCTNTQGHULKQFW-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN CC(C)(C)Cc1cc(=O)n(-c2ccc(C(F)(F)F)nc2)[nH]1 ZINC001245932777 1131254146 /nfs/dbraw/zinc/25/41/46/1131254146.db2.gz QMAQRVUZBFGOIC-UHFFFAOYSA-N 0 1 299.296 3.580 20 0 CHADMN CC(C)(C)C=CC(=O)Nc1ccccc1Nc1ccncc1 ZINC000819580882 1131254899 /nfs/dbraw/zinc/25/48/99/1131254899.db2.gz RMGRRASWYIEVNW-DHZHZOJOSA-N 0 1 295.386 3.788 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(Cl)c(F)c2)c(C)nn1 ZINC001119769457 1131263910 /nfs/dbraw/zinc/26/39/10/1131263910.db2.gz NGDHEMKJKUXBFO-SNVBAGLBSA-N 0 1 293.773 3.737 20 0 CHADMN Cc1cc(C)cc(C2=NN([C@@H](C)C(F)(F)F)C(=O)C2)c1 ZINC001245949427 1131259839 /nfs/dbraw/zinc/25/98/39/1131259839.db2.gz PHDIQHDIGVKGMP-JTQLQIEISA-N 0 1 284.281 3.996 20 0 CHADMN Clc1sccc1-c1cnc([C@H]2CCCCN2)nc1 ZINC001119621913 1131260670 /nfs/dbraw/zinc/26/06/70/1131260670.db2.gz VWIVDFQXLBCLHU-LLVKDONJSA-N 0 1 279.796 3.673 20 0 CHADMN CCc1nc(C)c(CN2CC[C@H](C(F)(F)F)C2(C)C)o1 ZINC000428476525 1124459859 /nfs/dbraw/zinc/45/98/59/1124459859.db2.gz FIADXWFDQQSIEI-NSHDSACASA-N 0 1 290.329 3.708 20 0 CHADMN Cc1ccc(C[N@@H+]2CCSC[C@@H]2C)c(Cl)c1 ZINC000447360367 1124467756 /nfs/dbraw/zinc/46/77/56/1124467756.db2.gz UUNGXPCEKPJKPO-NSHDSACASA-N 0 1 255.814 3.586 20 0 CHADMN Cc1ccc(CN2CCSC[C@@H]2C)c(Cl)c1 ZINC000447360367 1124467759 /nfs/dbraw/zinc/46/77/59/1124467759.db2.gz UUNGXPCEKPJKPO-NSHDSACASA-N 0 1 255.814 3.586 20 0 CHADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000868332720 1124468386 /nfs/dbraw/zinc/46/83/86/1124468386.db2.gz RYXQDMVMZVTKPE-HTQZYQBOSA-N 0 1 285.746 3.805 20 0 CHADMN CC[C@@H](O)[C@@H]1CCCCN1Cc1cc(F)ccc1Cl ZINC000525834173 1124470246 /nfs/dbraw/zinc/47/02/46/1124470246.db2.gz FJPQCTGLUHPXFD-LSDHHAIUSA-N 0 1 285.790 3.605 20 0 CHADMN CCCCc1noc(CN(C)[C@@H](C)C2CCCCC2)n1 ZINC000447395102 1124471515 /nfs/dbraw/zinc/47/15/15/1124471515.db2.gz RQNMBKGVJBTOFA-ZDUSSCGKSA-N 0 1 279.428 3.813 20 0 CHADMN Cc1cc(C)cc([C@H]2CCN([C@H](C)c3ncccn3)C2)c1 ZINC001119729636 1131262659 /nfs/dbraw/zinc/26/26/59/1131262659.db2.gz UOBCNCSKPWUUEJ-CVEARBPZSA-N 0 1 281.403 3.644 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CCC(c2ccncc2)CC1 ZINC001119769520 1131264362 /nfs/dbraw/zinc/26/43/62/1131264362.db2.gz VSPZWAKCZPMOLY-CYBMUJFWSA-N 0 1 285.366 3.556 20 0 CHADMN CCN(CCC1CC1)Cc1coc(C(C)(C)C)n1 ZINC001119816293 1131264962 /nfs/dbraw/zinc/26/49/62/1131264962.db2.gz JMTIXEABONBNBJ-UHFFFAOYSA-N 0 1 250.386 3.594 20 0 CHADMN COc1cc(CN2CCC[C@@H]2c2cc(C)no2)ccc1C ZINC000447726972 1124512680 /nfs/dbraw/zinc/51/26/80/1124512680.db2.gz AKJLBODUOGGNAN-OAHLLOKOSA-N 0 1 286.375 3.637 20 0 CHADMN CC(C)CN(Cc1cnc(C(F)(F)F)s1)C1CC1 ZINC000447741396 1124519968 /nfs/dbraw/zinc/51/99/68/1124519968.db2.gz KQGDVKFVQZOBIK-UHFFFAOYSA-N 0 1 278.343 3.782 20 0 CHADMN CCCC1CCC(CNCc2nc(C(F)F)no2)CC1 ZINC001119974817 1131269642 /nfs/dbraw/zinc/26/96/42/1131269642.db2.gz MCPJFASZUKAHDE-UHFFFAOYSA-N 0 1 287.354 3.703 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@@H](C)CCSC ZINC000795094603 1124526520 /nfs/dbraw/zinc/52/65/20/1124526520.db2.gz OGPISIYTMQVGHL-JTQLQIEISA-N 0 1 294.395 3.936 20 0 CHADMN CC(C)(C)c1cnc(CN[C@H]2CC(C)(C)OC2(C)C)s1 ZINC000447897879 1124543661 /nfs/dbraw/zinc/54/36/61/1124543661.db2.gz PQUOLQMVLBUNOF-NSHDSACASA-N 0 1 296.480 3.876 20 0 CHADMN CO[C@]1(C)C[C@@H](NCc2ncc(C(C)(C)C)s2)C1(C)C ZINC000447942908 1124544557 /nfs/dbraw/zinc/54/45/57/1124544557.db2.gz IZJSVPKTCUKDOZ-BDJLRTHQSA-N 0 1 296.480 3.734 20 0 CHADMN CCCC[C@H](COC)NCc1ncc(C(C)(C)C)s1 ZINC000447931822 1124546124 /nfs/dbraw/zinc/54/61/24/1124546124.db2.gz QCPQOUPWMRPWED-GFCCVEGCSA-N 0 1 284.469 3.735 20 0 CHADMN C[C@@H]1CSCCN1C/C=C/c1ccc(Cl)cc1 ZINC000527049161 1124547013 /nfs/dbraw/zinc/54/70/13/1124547013.db2.gz VBAQPAGSWDFNTA-QAVQXKDTSA-N 0 1 267.825 3.791 20 0 CHADMN C(=C/C1CCCCC1)\c1nc(-c2ccn3cncc3c2)no1 ZINC000447953999 1124548687 /nfs/dbraw/zinc/54/86/87/1124548687.db2.gz MINYRGBBJHVDFU-VOTSOKGWSA-N 0 1 294.358 3.978 20 0 CHADMN CC[C@H]1CCCCN1Cc1ccn(-c2ccccc2F)n1 ZINC000527324612 1124569695 /nfs/dbraw/zinc/56/96/95/1124569695.db2.gz REUBAWXAAURXKC-HNNXBMFYSA-N 0 1 287.382 3.776 20 0 CHADMN CC(C)n1ccnc1CN1CC[C@H](CC(C)(C)C)C1 ZINC000448555887 1124585835 /nfs/dbraw/zinc/58/58/35/1124585835.db2.gz VULBNNPSIFEYTE-CQSZACIVSA-N 0 1 263.429 3.722 20 0 CHADMN CO[C@H](C)c1nc(CNCCCCC(C)C)cs1 ZINC001120032179 1131270598 /nfs/dbraw/zinc/27/05/98/1131270598.db2.gz VTJCHJZXCDJLNX-GFCCVEGCSA-N 0 1 270.442 3.766 20 0 CHADMN Cc1c([C@@H](C)NCc2ccc(C(F)F)c(F)c2)cnn1C ZINC001120250969 1131272718 /nfs/dbraw/zinc/27/27/18/1131272718.db2.gz ZMKKXHQPZKFZJH-SECBINFHSA-N 0 1 297.324 3.656 20 0 CHADMN C[C@@H](O)C[C@H]1CCCCN1Cc1ccc(F)cc1Cl ZINC000123703380 1124619640 /nfs/dbraw/zinc/61/96/40/1124619640.db2.gz KHFWCDFGXWWOPO-BXUZGUMPSA-N 0 1 285.790 3.605 20 0 CHADMN COc1cc(C)ccc1CN1CCC[C@H]1c1cc(C)no1 ZINC000449014535 1124629699 /nfs/dbraw/zinc/62/96/99/1124629699.db2.gz IQGBZHXLOGISMT-HNNXBMFYSA-N 0 1 286.375 3.637 20 0 CHADMN COc1cc(CN2CCO[C@@H]3CCC[C@@H]32)cc2ccccc21 ZINC000449017388 1124629957 /nfs/dbraw/zinc/62/99/57/1124629957.db2.gz PITLDAMNWSJGEQ-ZWKOTPCHSA-N 0 1 297.398 3.602 20 0 CHADMN COc1cc(CN2CCO[C@H]3CCC[C@H]32)cc2ccccc21 ZINC000449017385 1124630019 /nfs/dbraw/zinc/63/00/19/1124630019.db2.gz PITLDAMNWSJGEQ-MSOLQXFVSA-N 0 1 297.398 3.602 20 0 CHADMN CN(CCc1ccccc1)Cc1ccnn1C1CCCC1 ZINC000449008575 1124631780 /nfs/dbraw/zinc/63/17/80/1124631780.db2.gz JYGHADLNYWLJRS-UHFFFAOYSA-N 0 1 283.419 3.673 20 0 CHADMN C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1ccncc1F ZINC000449029420 1124634214 /nfs/dbraw/zinc/63/42/14/1124634214.db2.gz OPKUECVSGXFSMU-HOCLYGCPSA-N 0 1 284.378 3.674 20 0 CHADMN C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccncc1F ZINC000449030919 1124636389 /nfs/dbraw/zinc/63/63/89/1124636389.db2.gz STCYONXSMONZFW-WFASDCNBSA-N 0 1 288.341 3.738 20 0 CHADMN CCn1nnc(C)c1C[N@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000449035472 1124636417 /nfs/dbraw/zinc/63/64/17/1124636417.db2.gz OLMCXYIECQMJBI-QGZVFWFLSA-N 0 1 298.434 3.642 20 0 CHADMN CCn1nnc(C)c1CN1CCCC[C@@H]1c1ccc(C)cc1 ZINC000449035472 1124636421 /nfs/dbraw/zinc/63/64/21/1124636421.db2.gz OLMCXYIECQMJBI-QGZVFWFLSA-N 0 1 298.434 3.642 20 0 CHADMN CN(Cc1cc(Cl)sc1Cl)C[C@@H]1CCOC1 ZINC000449038150 1124637853 /nfs/dbraw/zinc/63/78/53/1124637853.db2.gz RXGMAJBGSYIHKN-QMMMGPOBSA-N 0 1 280.220 3.523 20 0 CHADMN Clc1cccnc1CN(C[C@H]1CCCO1)C1CCCC1 ZINC000528386993 1124650336 /nfs/dbraw/zinc/65/03/36/1124650336.db2.gz ARGWFNIYGMQPQZ-CQSZACIVSA-N 0 1 294.826 3.659 20 0 CHADMN COc1ccc(C2(NCc3cccc(C)c3F)CC2)cc1 ZINC000449122200 1124651896 /nfs/dbraw/zinc/65/18/96/1124651896.db2.gz KPULNFTWETWQAE-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN CCOc1ccc(CNCc2cccc(C)c2F)cc1F ZINC000449122459 1124652165 /nfs/dbraw/zinc/65/21/65/1124652165.db2.gz LIPYELIWOVJFOA-UHFFFAOYSA-N 0 1 291.341 3.962 20 0 CHADMN C[C@@H](N[C@@H](C)CC(F)(F)F)c1cc(O)ccc1F ZINC000872062056 1124671013 /nfs/dbraw/zinc/67/10/13/1124671013.db2.gz CIZNBARPWFBNCM-JGVFFNPUSA-N 0 1 265.250 3.523 20 0 CHADMN C[C@H](NC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1c(F)cccc1F ZINC000871932425 1124653435 /nfs/dbraw/zinc/65/34/35/1124653435.db2.gz VISBGGCEEFZVJW-OXIQGZBJSA-N 0 1 281.346 3.573 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](C)Cc2ccoc2)cs1 ZINC000449157282 1124657658 /nfs/dbraw/zinc/65/76/58/1124657658.db2.gz PUEFMZGGXDAVOE-GHMZBOCLSA-N 0 1 264.394 3.580 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2cccc(O)c2F)cc1 ZINC000872022349 1124658835 /nfs/dbraw/zinc/65/88/35/1124658835.db2.gz XVKOTNBGMDLTDG-LBPRGKRZSA-N 0 1 289.350 3.529 20 0 CHADMN Clc1cccnc1CN1C[C@@H]2CCCCCC[C@@H]21 ZINC000528421661 1124661112 /nfs/dbraw/zinc/66/11/12/1124661112.db2.gz ACJAJTSAFOZAFR-WFASDCNBSA-N 0 1 264.800 3.890 20 0 CHADMN Cc1cc(C)cc([C@H](C)NCc2cc(CO)ccc2F)c1 ZINC000528435481 1124664916 /nfs/dbraw/zinc/66/49/16/1124664916.db2.gz BKHSDFSYNUBRAV-AWEZNQCLSA-N 0 1 287.378 3.786 20 0 CHADMN CC[C@H](NCc1cc(F)cc(OC)c1)c1c(C)noc1C ZINC000449210167 1124669447 /nfs/dbraw/zinc/66/94/47/1124669447.db2.gz GMROCYWSFHKCTQ-HNNXBMFYSA-N 0 1 292.354 3.680 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1ccnn1C1CCCC1 ZINC000449206513 1124669916 /nfs/dbraw/zinc/66/99/16/1124669916.db2.gz PXANUTGYFDQQGP-CQSZACIVSA-N 0 1 298.434 3.806 20 0 CHADMN COc1cc(C)cc(CNCc2ccc(C)cc2OC)c1 ZINC000449202263 1124671735 /nfs/dbraw/zinc/67/17/35/1124671735.db2.gz JSFZQACOUBWIRT-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN C/C(Cl)=C/CN1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000528521377 1124682128 /nfs/dbraw/zinc/68/21/28/1124682128.db2.gz QNXKHAMTNZNDOV-QDJRAUDGSA-N 0 1 255.711 3.792 20 0 CHADMN C/C(Cl)=C\CN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000528526142 1124683020 /nfs/dbraw/zinc/68/30/20/1124683020.db2.gz PKEBCDRGZAYLCG-SNQWNFELSA-N 0 1 291.822 3.983 20 0 CHADMN CC(C)(C)OCc1cc(CN[C@H]2CCCC23CCC3)no1 ZINC000449260087 1124684328 /nfs/dbraw/zinc/68/43/28/1124684328.db2.gz WHFMAPSWGDSVBV-HNNXBMFYSA-N 0 1 292.423 3.802 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(C(C)(C)C)s2)n(C)n1 ZINC000872107291 1124684829 /nfs/dbraw/zinc/68/48/29/1124684829.db2.gz ORZXERHWQPKSQD-LBPRGKRZSA-N 0 1 291.464 3.938 20 0 CHADMN CN(Cc1cscn1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170943932 1131277057 /nfs/dbraw/zinc/27/70/57/1131277057.db2.gz OFFGEBQLZABEGE-CYBMUJFWSA-N 0 1 292.835 3.786 20 0 CHADMN C[C@@H]1CSC[C@@H]1Nc1ccc(Cl)c(CN(C)C)c1 ZINC000449302467 1124686987 /nfs/dbraw/zinc/68/69/87/1124686987.db2.gz KAJUZMGZMXJZSN-YGRLFVJLSA-N 0 1 284.856 3.565 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc3oc(=O)[nH]c3c2)oc1C ZINC000872121483 1124688102 /nfs/dbraw/zinc/68/81/02/1124688102.db2.gz CQPBYJQFNMQDMB-JTQLQIEISA-N 0 1 286.331 3.594 20 0 CHADMN C[C@@H](CCC(F)(F)F)NCc1ncc(Cl)s1 ZINC000872116762 1124688628 /nfs/dbraw/zinc/68/86/28/1124688628.db2.gz URYXSXNXLBPEES-LURJTMIESA-N 0 1 272.723 3.617 20 0 CHADMN c1nc2c(s1)CCC[C@H]2NCc1cccc2ncccc12 ZINC000872122967 1124689227 /nfs/dbraw/zinc/68/92/27/1124689227.db2.gz KCINBRUNAZXCCN-OAHLLOKOSA-N 0 1 295.411 3.859 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2nccnc2C)c(C)c1 ZINC000872131102 1124691903 /nfs/dbraw/zinc/69/19/03/1124691903.db2.gz PMVBWZDGXKAFOX-TZMCWYRMSA-N 0 1 285.391 3.514 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000872159549 1124696619 /nfs/dbraw/zinc/69/66/19/1124696619.db2.gz WDAZLIZRDNFABZ-BXUZGUMPSA-N 0 1 281.421 3.847 20 0 CHADMN CC(C)[N@@H+](Cc1cc(C(=O)[O-])cs1)C1CCCC1 ZINC000872157936 1124696701 /nfs/dbraw/zinc/69/67/01/1124696701.db2.gz WERDTLSTBYHWOK-UHFFFAOYSA-N 0 1 267.394 3.599 20 0 CHADMN O=C([O-])c1csc(C[N@H+]2CCCC[C@@H]2CC2CCC2)c1 ZINC000872161865 1124696926 /nfs/dbraw/zinc/69/69/26/1124696926.db2.gz FUUSZKLOZOKDKF-CQSZACIVSA-N 0 1 293.432 3.991 20 0 CHADMN C[C@@H](C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1)CC(C)(C)C ZINC000872161827 1124697128 /nfs/dbraw/zinc/69/71/28/1124697128.db2.gz DMBYBLDLTWGILM-KEYYUXOJSA-N 0 1 281.440 3.636 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872171462 1124697777 /nfs/dbraw/zinc/69/77/77/1124697777.db2.gz QTTMBWKJVSNKRM-IJEWVQPXSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@]1(F)CCCN(Cc2ccc(OC(F)F)cc2)C1 ZINC000449352065 1124698181 /nfs/dbraw/zinc/69/81/81/1124698181.db2.gz SBNNCFYRJXYANN-CQSZACIVSA-N 0 1 273.298 3.612 20 0 CHADMN Clc1ncccc1CN1CCC[C@@H](OC2CCC2)CC1 ZINC000872261877 1124699112 /nfs/dbraw/zinc/69/91/12/1124699112.db2.gz JARUAZVOBQJWBG-OAHLLOKOSA-N 0 1 294.826 3.659 20 0 CHADMN Fc1ccc(CN2CCC[C@@H](OC3CCC3)CC2)cc1F ZINC000872260649 1124699614 /nfs/dbraw/zinc/69/96/14/1124699614.db2.gz RELBAICQFOGJKD-OAHLLOKOSA-N 0 1 295.373 3.888 20 0 CHADMN CCc1cnc(CN2CCC[C@@H](OC3CCC3)CC2)s1 ZINC000872259161 1124699720 /nfs/dbraw/zinc/69/97/20/1124699720.db2.gz MXUZLJLGEOLNCN-CQSZACIVSA-N 0 1 294.464 3.629 20 0 CHADMN Cc1ccc(C)c([C@@H]2CCCN2CN2CCSC2=O)c1 ZINC000124046087 1124706031 /nfs/dbraw/zinc/70/60/31/1124706031.db2.gz SQZVAJVYYPIKHE-HNNXBMFYSA-N 0 1 290.432 3.567 20 0 CHADMN Clc1cccc2c1C[C@H](N1CCc3cccnc3C1)CC2 ZINC001170944468 1131278676 /nfs/dbraw/zinc/27/86/76/1131278676.db2.gz POZIOACDOUFJAH-OAHLLOKOSA-N 0 1 298.817 3.651 20 0 CHADMN Cc1ccc(CN(Cc2cc[nH]n2)C(C)(C)C)cc1 ZINC000528593389 1124712421 /nfs/dbraw/zinc/71/24/21/1124712421.db2.gz OEOCLIBUJMXUHI-UHFFFAOYSA-N 0 1 257.381 3.519 20 0 CHADMN C/C=C/COc1ccc(CC[C@H](C)NC(CF)CF)cc1 ZINC000449380698 1124717934 /nfs/dbraw/zinc/71/79/34/1124717934.db2.gz OKOJZEVUXLGQOZ-XGACYXMMSA-N 0 1 297.389 3.860 20 0 CHADMN CCOc1c(Cl)cccc1CN1CC[C@](C)(COC)C1 ZINC000449391328 1124721012 /nfs/dbraw/zinc/72/10/12/1124721012.db2.gz HWKNFFDVZPIQKY-INIZCTEOSA-N 0 1 297.826 3.597 20 0 CHADMN CCC1(NCc2csc(-c3ccccc3)n2)CC1 ZINC000449417509 1124723072 /nfs/dbraw/zinc/72/30/72/1124723072.db2.gz YNZJQJVPLLQRQA-UHFFFAOYSA-N 0 1 258.390 3.842 20 0 CHADMN c1sc(-c2ccccn2)nc1CN1CCCCCCC1 ZINC000124167944 1124724051 /nfs/dbraw/zinc/72/40/51/1124724051.db2.gz VEENEQYTSLYUCP-UHFFFAOYSA-N 0 1 287.432 3.971 20 0 CHADMN Cc1cc2cc(CNCc3n[nH]c(C(C)C)n3)oc2cc1C ZINC000449406675 1124727886 /nfs/dbraw/zinc/72/78/86/1124727886.db2.gz ZAXDXBVHOHYROV-UHFFFAOYSA-N 0 1 298.390 3.581 20 0 CHADMN c1cc(Sc2ccccn2)oc1CN1CC[C@@H]1C1CC1 ZINC000449427025 1124732156 /nfs/dbraw/zinc/73/21/56/1124732156.db2.gz MQVLUNYLTGKSRG-CQSZACIVSA-N 0 1 286.400 3.810 20 0 CHADMN CC(C)n1ncc2cc(CN3CCC[C@H]3C)c(Cl)nc21 ZINC000124301281 1124732823 /nfs/dbraw/zinc/73/28/23/1124732823.db2.gz QBGWXDUTHVJLRI-LLVKDONJSA-N 0 1 292.814 3.650 20 0 CHADMN CCOc1cccc(F)c1CN[C@H]1CCC(F)(F)C1 ZINC000873079052 1124735772 /nfs/dbraw/zinc/73/57/72/1124735772.db2.gz CCZSQQKXFSCSRX-JTQLQIEISA-N 0 1 273.298 3.502 20 0 CHADMN CN(Cc1ccc(F)cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000449445528 1124738726 /nfs/dbraw/zinc/73/87/26/1124738726.db2.gz JWKMRBGNHKOWEL-INIZCTEOSA-N 0 1 293.769 3.645 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cc3cccnc3o2)c2ccccc2O1 ZINC000449421464 1124739473 /nfs/dbraw/zinc/73/94/73/1124739473.db2.gz AHXMHIGOPULMCF-MLGOLLRUSA-N 0 1 294.354 3.830 20 0 CHADMN CS[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000449444434 1124740149 /nfs/dbraw/zinc/74/01/49/1124740149.db2.gz AFLJUONJSXAGNN-LBPRGKRZSA-N 0 1 275.339 3.643 20 0 CHADMN COc1ccc(C(C)(C)NCc2cccc(C)n2)cc1F ZINC000528675298 1124742860 /nfs/dbraw/zinc/74/28/60/1124742860.db2.gz KHDIRYFIIOGFTC-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN Clc1cnc(CNCCC[C@H]2C=CCC2)s1 ZINC000873153775 1124743159 /nfs/dbraw/zinc/74/31/59/1124743159.db2.gz HGDIMNFALOMBNZ-JTQLQIEISA-N 0 1 256.802 3.633 20 0 CHADMN Cc1ccc(CNCc2cccc(OC(C)(C)C)c2)nc1 ZINC000873163358 1124744255 /nfs/dbraw/zinc/74/42/55/1124744255.db2.gz PFRQHTYMEGRSHT-UHFFFAOYSA-N 0 1 284.403 3.857 20 0 CHADMN FCC1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000449454490 1124745127 /nfs/dbraw/zinc/74/51/27/1124745127.db2.gz KAAPSTWLEPCQKR-UHFFFAOYSA-N 0 1 268.401 3.592 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1cccc(C2CC2)c1 ZINC000873186519 1124747170 /nfs/dbraw/zinc/74/71/70/1124747170.db2.gz PYIXJOOFKKTVBC-CYBMUJFWSA-N 0 1 267.376 3.513 20 0 CHADMN CC1(NCc2ccnc(Cl)c2Cl)CC(F)(F)C1 ZINC000873198027 1124750781 /nfs/dbraw/zinc/75/07/81/1124750781.db2.gz YTVATXYBOYDIGO-UHFFFAOYSA-N 0 1 281.133 3.666 20 0 CHADMN c1cc(N2CCCC2)oc1CN1CC[C@@H]1c1ccccc1 ZINC001137069633 1124754983 /nfs/dbraw/zinc/75/49/83/1124754983.db2.gz GZHFMOKYOWKWFE-QGZVFWFLSA-N 0 1 282.387 3.827 20 0 CHADMN Cc1csc(CNCc2cnc([C@H]3CCCO3)s2)c1 ZINC000449479020 1124756772 /nfs/dbraw/zinc/75/67/72/1124756772.db2.gz LIGOGGLOAZOVPX-CYBMUJFWSA-N 0 1 294.445 3.654 20 0 CHADMN CCOc1c(Cl)cccc1CN1CC[C@H](OC)[C@@H](C)C1 ZINC000449494519 1124763239 /nfs/dbraw/zinc/76/32/39/1124763239.db2.gz GRHFOPPRCHAEKV-WFASDCNBSA-N 0 1 297.826 3.596 20 0 CHADMN CCO[C@H]1CCN(Cc2cc(Cl)ccc2F)C[C@@H]1C ZINC000449491689 1124768614 /nfs/dbraw/zinc/76/86/14/1124768614.db2.gz ALDSIWSKQGCHNV-NHYWBVRUSA-N 0 1 285.790 3.726 20 0 CHADMN CC(C)[C@H]1CN([C@@H]2CCc3cccc(Cl)c3C2)CCO1 ZINC001170946106 1131282574 /nfs/dbraw/zinc/28/25/74/1131282574.db2.gz ZMSGPTAZTJGRDT-RHSMWYFYSA-N 0 1 293.838 3.554 20 0 CHADMN CCOc1cc(C)c(-c2cc3[nH]cnc3cc2C)cn1 ZINC001238976113 1131282681 /nfs/dbraw/zinc/28/26/81/1131282681.db2.gz SPMKAGBVSCVKIV-UHFFFAOYSA-N 0 1 267.332 3.640 20 0 CHADMN CC(C)CONC(=O)c1cc(Cl)c2ccccc2c1O ZINC000124539495 1124773545 /nfs/dbraw/zinc/77/35/45/1124773545.db2.gz XFDIVXUTRIUJPM-UHFFFAOYSA-N 0 1 293.750 3.516 20 0 CHADMN Cc1nnc(-c2ccc(-c3cc4[nH]ccc4cn3)cc2)o1 ZINC001239011781 1131289934 /nfs/dbraw/zinc/28/99/34/1131289934.db2.gz DYSZOYKWJCMIJS-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN S=c1nc2[nH]cnc(-c3coc4ccccc43)c-2s1 ZINC001239056631 1131296805 /nfs/dbraw/zinc/29/68/05/1131296805.db2.gz OPZAKDSXTQCASS-UHFFFAOYSA-N 0 1 285.353 3.788 20 0 CHADMN CC(C)n1ccc(-c2cccc(CN(C)C)c2F)c1 ZINC001239078929 1131302229 /nfs/dbraw/zinc/30/22/29/1131302229.db2.gz KOZWBXDUOXWQAA-UHFFFAOYSA-N 0 1 260.356 3.937 20 0 CHADMN CC(C)C[C@@H](C)OC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000820784313 1131303227 /nfs/dbraw/zinc/30/32/27/1131303227.db2.gz IICHFUSBLVQNTD-OCCSQVGLSA-N 0 1 298.452 3.512 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nc(C)cc(=O)[nH]1)c1cc(C)ccc1C ZINC000528796315 1124809650 /nfs/dbraw/zinc/80/96/50/1124809650.db2.gz CKAGTQDIKOOINR-GOEBONIOSA-N 0 1 299.418 3.909 20 0 CHADMN Cc1ccc(C)c(OCCN[C@@H](C)c2ncccc2F)c1 ZINC000528823350 1124819047 /nfs/dbraw/zinc/81/90/47/1124819047.db2.gz GGKPKGBOCHXXDW-AWEZNQCLSA-N 0 1 288.366 3.567 20 0 CHADMN CC(C)n1nccc1CN[C@H]1CCCN(C)c2ccccc21 ZINC000449648106 1124829685 /nfs/dbraw/zinc/82/96/85/1124829685.db2.gz FSYYBOXIPFYYSA-KRWDZBQOSA-N 0 1 298.434 3.525 20 0 CHADMN c1snnc1CNC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000449688864 1124843456 /nfs/dbraw/zinc/84/34/56/1124843456.db2.gz IJOPUHMAXSFASA-HOCLYGCPSA-N 0 1 287.432 3.602 20 0 CHADMN COc1ccc2oc(CNCc3cnc(C)cc3C)cc2c1 ZINC000449734831 1124853946 /nfs/dbraw/zinc/85/39/46/1124853946.db2.gz OMZLROPAKAPFQR-UHFFFAOYSA-N 0 1 296.370 3.743 20 0 CHADMN Cc1cc(F)ccc1[C@H]1CCCN1Cc1ccccn1 ZINC000449734595 1124854062 /nfs/dbraw/zinc/85/40/62/1124854062.db2.gz SCJAHVBVADSXRX-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@H]1CCCCN(Cc2cc(F)cc(F)c2F)C1 ZINC001137868960 1124887600 /nfs/dbraw/zinc/88/76/00/1124887600.db2.gz XLSYRECYABWUGX-JTQLQIEISA-N 0 1 257.299 3.726 20 0 CHADMN CCN1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000125688235 1124915807 /nfs/dbraw/zinc/91/58/07/1124915807.db2.gz NLTSZSUFIHASOE-LBPRGKRZSA-N 0 1 269.820 3.658 20 0 CHADMN O=c1[nH]ccc2oc(CN3CCC[C@@H]3c3ccccc3)cc21 ZINC000876557235 1124959012 /nfs/dbraw/zinc/95/90/12/1124959012.db2.gz GQMXNMAVFMRFFT-MRXNPFEDSA-N 0 1 294.354 3.871 20 0 CHADMN Cc1ncc(CN(C)C[C@@H]2CCCCC2(F)F)s1 ZINC000450272665 1124960142 /nfs/dbraw/zinc/96/01/42/1124960142.db2.gz YLJGMFGNRTYFNP-NSHDSACASA-N 0 1 274.380 3.709 20 0 CHADMN CN(Cc1cc2c(cc[nH]c2=O)o1)[C@H]1CCc2ccccc21 ZINC000876560119 1124961251 /nfs/dbraw/zinc/96/12/51/1124961251.db2.gz GFVCKEFJUKIAEQ-INIZCTEOSA-N 0 1 294.354 3.653 20 0 CHADMN CC(=O)c1cccc(CN(C)Cc2cccc(C)c2)c1 ZINC000450268786 1124965802 /nfs/dbraw/zinc/96/58/02/1124965802.db2.gz IRZCAUGCWNONKC-UHFFFAOYSA-N 0 1 267.372 3.830 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@@H]2C2CCCC2)s1 ZINC000450292962 1124974930 /nfs/dbraw/zinc/97/49/30/1124974930.db2.gz XKCUAYVUOSBZOB-CYBMUJFWSA-N 0 1 279.453 3.816 20 0 CHADMN COc1ccc(CN(Cc2cccnc2C)C2CC2)cc1 ZINC000120732253 1124976953 /nfs/dbraw/zinc/97/69/53/1124976953.db2.gz TYQKOPLMMHUIDY-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@@H]1COCc3ccccc31)CC2 ZINC000340528055 1124979601 /nfs/dbraw/zinc/97/96/01/1124979601.db2.gz ZPLOUNPOPMLCFF-QZTJIDSGSA-N 0 1 283.346 3.674 20 0 CHADMN O=C(c1cccc(-c2cccn3cncc23)c1)C(F)(F)F ZINC001239392703 1131323158 /nfs/dbraw/zinc/32/31/58/1131323158.db2.gz QVIXHALOXFGCPS-UHFFFAOYSA-N 0 1 290.244 3.746 20 0 CHADMN CCC[C@H](NCc1cc(OC)cnc1F)c1ccccc1 ZINC000876883465 1124986472 /nfs/dbraw/zinc/98/64/72/1124986472.db2.gz CLHAPLNNGNVRAQ-INIZCTEOSA-N 0 1 288.366 3.860 20 0 CHADMN Fc1ccc(C2(CNCc3nc(Cl)cs3)CC2)cc1 ZINC000876940517 1124992012 /nfs/dbraw/zinc/99/20/12/1124992012.db2.gz UJPHQMKJRVNSBP-UHFFFAOYSA-N 0 1 296.798 3.757 20 0 CHADMN CN(Cc1cc(Cl)cn1C)Cc1ccc2cc[nH]c2c1 ZINC000529538027 1124992666 /nfs/dbraw/zinc/99/26/66/1124992666.db2.gz XVCAKECQECZMKV-UHFFFAOYSA-N 0 1 287.794 3.792 20 0 CHADMN CC[C@]1(CO)CCCN1Cc1ccsc1C(F)(F)F ZINC000529559485 1124994206 /nfs/dbraw/zinc/99/42/06/1124994206.db2.gz XIEIOPUYJWZBMG-GFCCVEGCSA-N 0 1 293.354 3.504 20 0 CHADMN CO[C@@H]1CCN(Cc2ccsc2C(F)(F)F)[C@H](C)C1 ZINC000529554117 1124995381 /nfs/dbraw/zinc/99/53/81/1124995381.db2.gz BEILBCOIYXQROQ-MWLCHTKSSA-N 0 1 293.354 3.766 20 0 CHADMN c1cc2ccc(CN3CCOC[C@@H]3CC3CCC3)cc2[nH]1 ZINC000529580125 1125000635 /nfs/dbraw/zinc/00/06/35/1125000635.db2.gz LMDGFKWGCYTPRE-KRWDZBQOSA-N 0 1 284.403 3.559 20 0 CHADMN CC[C@@](C)(NCc1cnc(OC)s1)c1ccccc1 ZINC000877046930 1125002026 /nfs/dbraw/zinc/00/20/26/1125002026.db2.gz UXUAQCHUAUBNEO-OAHLLOKOSA-N 0 1 276.405 3.567 20 0 CHADMN Clc1ccc2c(c1)[C@@H](NC[C@H]1CC1(Cl)Cl)CO2 ZINC000877088175 1125008860 /nfs/dbraw/zinc/00/88/60/1125008860.db2.gz CBSDHVLDULKATK-XCBNKYQSSA-N 0 1 292.593 3.557 20 0 CHADMN CC[C@H](NCc1c[nH]nc1C)c1ccccc1OC(F)F ZINC000120948525 1125011306 /nfs/dbraw/zinc/01/13/06/1125011306.db2.gz VIXDKSIJBXVRTO-ZDUSSCGKSA-N 0 1 295.333 3.560 20 0 CHADMN CCC[C@H](O)CN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000450405757 1125013651 /nfs/dbraw/zinc/01/36/51/1125013651.db2.gz FBBJLDOBKKHMNC-GJZGRUSLSA-N 0 1 299.867 3.591 20 0 CHADMN CSC(C)(C)CCN[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000877150672 1125015844 /nfs/dbraw/zinc/01/58/44/1125015844.db2.gz ZGMXUOUZOPWXLX-GFCCVEGCSA-N 0 1 297.468 3.765 20 0 CHADMN CCN(Cc1ccn(CCc2ccccc2)n1)C1CCC1 ZINC000450427472 1125015909 /nfs/dbraw/zinc/01/59/09/1125015909.db2.gz ZDCCQCOPZODSLM-UHFFFAOYSA-N 0 1 283.419 3.500 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CN1Cc1nnc(C2CC2)s1 ZINC000450414978 1125019115 /nfs/dbraw/zinc/01/91/15/1125019115.db2.gz ZUSZLZWJIVIHPO-WFASDCNBSA-N 0 1 299.443 3.794 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N(CC)Cc1cnns1 ZINC000450433617 1125022152 /nfs/dbraw/zinc/02/21/52/1125022152.db2.gz BCBUNIOXLIGYAB-HNNXBMFYSA-N 0 1 289.448 3.690 20 0 CHADMN CC(=O)c1cccc(CN2Cc3ccccc3C[C@H]2C)c1 ZINC000450442044 1125026525 /nfs/dbraw/zinc/02/65/25/1125026525.db2.gz SDKMHSMGCYOQFN-CQSZACIVSA-N 0 1 279.383 3.836 20 0 CHADMN CCC[C@H](NC(=O)[C@H](C)N1CCCCC1)c1ccccc1 ZINC000302743748 1125026606 /nfs/dbraw/zinc/02/66/06/1125026606.db2.gz NGKCNCZBXZLSDI-RDJZCZTQSA-N 0 1 288.435 3.518 20 0 CHADMN CCC[C@@H](NC(=O)[C@@H](C)N1CCCCC1)c1ccccc1 ZINC000302743745 1125027126 /nfs/dbraw/zinc/02/71/26/1125027126.db2.gz NGKCNCZBXZLSDI-NVXWUHKLSA-N 0 1 288.435 3.518 20 0 CHADMN CC(C)c1nnc(CN2[C@H](C)C[C@H]3CCCC[C@H]32)s1 ZINC000450439283 1125027244 /nfs/dbraw/zinc/02/72/44/1125027244.db2.gz NMJLGJXHULARBB-JHJVBQTASA-N 0 1 279.453 3.815 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1ccc(Cl)nn1 ZINC000877476216 1125031628 /nfs/dbraw/zinc/03/16/28/1125031628.db2.gz YFOQDUCKGSXEPZ-RAXLEYEMSA-N 0 1 287.794 3.665 20 0 CHADMN Cc1cccc(CN(C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000302836724 1125036870 /nfs/dbraw/zinc/03/68/70/1125036870.db2.gz IKCJSACXOWJDHR-UHFFFAOYSA-N 0 1 291.398 3.813 20 0 CHADMN C[C@H](NCc1ccc2nonc2c1)c1ccccc1Cl ZINC000821386663 1131327398 /nfs/dbraw/zinc/32/73/98/1131327398.db2.gz MMBBKYBTSKUACL-JTQLQIEISA-N 0 1 287.750 3.727 20 0 CHADMN FC1(F)CCCC[C@H]1CNCc1nc(Cl)cs1 ZINC000877555810 1125045312 /nfs/dbraw/zinc/04/53/12/1125045312.db2.gz CHXQASVYWSHYRB-QMMMGPOBSA-N 0 1 280.771 3.712 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C[C@@H]1CCC(=O)O1)C1CC1 ZINC000821368059 1131327701 /nfs/dbraw/zinc/32/77/01/1131327701.db2.gz JRRIOLFULIATLB-AAEUAGOBSA-N 0 1 293.794 3.571 20 0 CHADMN CCO[P@@](C)(=O)CC[C@H](C)NCC(F)(F)C(C)(C)C ZINC000877639808 1125057413 /nfs/dbraw/zinc/05/74/13/1125057413.db2.gz GJTZXQCVTJRZDK-JEOXALJRSA-N 0 1 299.342 3.980 20 0 CHADMN CC(C)Cc1ccccc1CNCc1ccc(Cl)nn1 ZINC000877647751 1125057501 /nfs/dbraw/zinc/05/75/01/1125057501.db2.gz GVXHLCMBSAHECN-UHFFFAOYSA-N 0 1 289.810 3.618 20 0 CHADMN Cc1ccc2nc(S[C@H](C)c3csnn3)[nH]c2c1 ZINC000450622709 1125068375 /nfs/dbraw/zinc/06/83/75/1125068375.db2.gz JTAFDSDPJTXXSX-MRVPVSSYSA-N 0 1 276.390 3.576 20 0 CHADMN CC(C)c1cc(Cl)ccc1NC(=O)CN(C)C(C)C ZINC000529852520 1125082172 /nfs/dbraw/zinc/08/21/72/1125082172.db2.gz ORIVTCOVQWJRRQ-UHFFFAOYSA-N 0 1 282.815 3.742 20 0 CHADMN C[C@@H](N[C@@H](C)c1csnn1)C(C)(C)c1ccccc1 ZINC000450668435 1125082902 /nfs/dbraw/zinc/08/29/02/1125082902.db2.gz ORTGPATZACOOAI-NWDGAFQWSA-N 0 1 275.421 3.555 20 0 CHADMN COc1ccsc1CN1CC[C@](C)(C(F)(F)F)C1 ZINC000877812269 1125083138 /nfs/dbraw/zinc/08/31/38/1125083138.db2.gz LCJCHWPUYNCTRY-NSHDSACASA-N 0 1 279.327 3.531 20 0 CHADMN Cc1nc(CN2CC[C@@]3(CCc4ccccc43)C2)cs1 ZINC000877810831 1125083849 /nfs/dbraw/zinc/08/38/49/1125083849.db2.gz PAQNWCAWLADCMY-KRWDZBQOSA-N 0 1 284.428 3.541 20 0 CHADMN Cc1sccc1CN1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000877819481 1125085918 /nfs/dbraw/zinc/08/59/18/1125085918.db2.gz CBLXDYSDCUYYGL-JOYOIKCWSA-N 0 1 293.354 3.598 20 0 CHADMN Cc1nccnc1[C@H](C)NC[C@@H](OC(C)C)c1ccccc1 ZINC000877828464 1125086991 /nfs/dbraw/zinc/08/69/91/1125086991.db2.gz KJGHHEHSWQAOCJ-DOTOQJQBSA-N 0 1 299.418 3.602 20 0 CHADMN Cc1scc(CN2CCO[C@@H](C(F)(F)F)CC2)c1C ZINC000877820832 1125087222 /nfs/dbraw/zinc/08/72/22/1125087222.db2.gz IFVYKACQCRWWJB-GFCCVEGCSA-N 0 1 293.354 3.518 20 0 CHADMN C[C@H]1c2cccn2CCN1CC[C@@H]1CCCC1(F)F ZINC000877922226 1125102638 /nfs/dbraw/zinc/10/26/38/1125102638.db2.gz AWNPXEBCJSQSOO-STQMWFEESA-N 0 1 268.351 3.690 20 0 CHADMN CC(C)C[C@@H](C)Sc1nc(-c2ccccc2O)n[nH]1 ZINC000450755024 1125102676 /nfs/dbraw/zinc/10/26/76/1125102676.db2.gz KADNYXSRWFLVPW-SNVBAGLBSA-N 0 1 277.393 3.704 20 0 CHADMN CCc1oc2ccccc2c1CN(C)Cc1c[nH]nc1C ZINC000121332894 1125107971 /nfs/dbraw/zinc/10/79/71/1125107971.db2.gz WJFOMGLTRMDJHA-UHFFFAOYSA-N 0 1 283.375 3.659 20 0 CHADMN Cc1cccc(Cl)c1NC(=O)[C@H](C)N(C)CCC(C)C ZINC000877974396 1125108790 /nfs/dbraw/zinc/10/87/90/1125108790.db2.gz APXKYLQGHPPZAJ-ZDUSSCGKSA-N 0 1 296.842 3.953 20 0 CHADMN Clc1ncsc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000878133525 1125122003 /nfs/dbraw/zinc/12/20/03/1125122003.db2.gz KWWVDAJAWRMMRP-ZJUUUORDSA-N 0 1 256.802 3.561 20 0 CHADMN Cl/C=C/CN1CCC(OC2CCCCC2)CC1 ZINC000126931358 1125125833 /nfs/dbraw/zinc/12/58/33/1125125833.db2.gz CXGFZHOGTAHWQD-RUDMXATFSA-N 0 1 257.805 3.553 20 0 CHADMN C[C@H]1c2ccccc2CN1C[C@@H]1CCC2(CCC2)O1 ZINC000878157841 1125126329 /nfs/dbraw/zinc/12/63/29/1125126329.db2.gz NMMFKOIIHSZQIF-ZFWWWQNUSA-N 0 1 257.377 3.665 20 0 CHADMN Fc1cccc([C@@H]2CCN2C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1 ZINC000878166402 1125127936 /nfs/dbraw/zinc/12/79/36/1125127936.db2.gz UEQYZXQAQLWEJW-HJWJTTGWSA-N 0 1 275.367 3.530 20 0 CHADMN C[C@H](Nc1[nH+]ccc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000530253274 1125137507 /nfs/dbraw/zinc/13/75/07/1125137507.db2.gz WKCWOGNDBMEWSG-TUKIKUTGSA-N 0 1 298.386 3.782 20 0 CHADMN C[C@H]1CCN(Cc2nc3c(o2)CCCC3)CC12CCC2 ZINC000878337095 1125142129 /nfs/dbraw/zinc/14/21/29/1125142129.db2.gz BSPGCDCGPSTBAO-ZDUSSCGKSA-N 0 1 274.408 3.566 20 0 CHADMN C[C@@H](c1ccc(CN2CC[C@@H](F)C2)cc1)C(F)(F)F ZINC000451201102 1125142628 /nfs/dbraw/zinc/14/26/28/1125142628.db2.gz UGVZWGVVGCVGOM-GXFFZTMASA-N 0 1 275.289 3.896 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccc1-n1cccn1)c1cncs1 ZINC000121836853 1125156598 /nfs/dbraw/zinc/15/65/98/1125156598.db2.gz NKNJLKKUGWLFIA-QWHCGFSZSA-N 0 1 298.415 3.741 20 0 CHADMN CO[C@]1(C)CCCN(Cc2cc(C(F)(F)F)co2)CC1 ZINC000878540612 1125159631 /nfs/dbraw/zinc/15/96/31/1125159631.db2.gz VRMKXJMNAOKDTN-CYBMUJFWSA-N 0 1 291.313 3.689 20 0 CHADMN Cc1ccncc1CN(C)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878540290 1125159779 /nfs/dbraw/zinc/15/97/79/1125159779.db2.gz LMXXVAMFILJRFJ-RTBURBONSA-N 0 1 296.414 3.742 20 0 CHADMN C=C/C=C\CCN1CCCC[C@H]1c1nccn1CC ZINC000878547541 1125161730 /nfs/dbraw/zinc/16/17/30/1125161730.db2.gz JTIYSNUUACSSJT-YVACAVLKSA-N 0 1 259.397 3.562 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC001648973741 1125161872 /nfs/dbraw/zinc/16/18/72/1125161872.db2.gz MAFQMZYODKIUST-AEFFLSMTSA-N 0 1 296.499 3.782 20 0 CHADMN Cc1ccc(CN2CCC[C@]3(CCSC3)C2)nc1Cl ZINC000878690116 1125171506 /nfs/dbraw/zinc/17/15/06/1125171506.db2.gz RLORZQDMERDBEO-HNNXBMFYSA-N 0 1 296.867 3.763 20 0 CHADMN C[C@@H]1CN(Cc2csc(-c3cccs3)n2)C[C@H]1C ZINC000530732608 1125175311 /nfs/dbraw/zinc/17/53/11/1125175311.db2.gz AMCVZVVSYYDWEO-GHMZBOCLSA-N 0 1 278.446 3.959 20 0 CHADMN ClC1=CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000878789936 1125178721 /nfs/dbraw/zinc/17/87/21/1125178721.db2.gz JHLRTGSKFKWJLI-UHFFFAOYSA-N 0 1 258.752 3.563 20 0 CHADMN ClC1=CCCN(Cc2cccc3ncccc23)C1 ZINC000878789936 1125178723 /nfs/dbraw/zinc/17/87/23/1125178723.db2.gz JHLRTGSKFKWJLI-UHFFFAOYSA-N 0 1 258.752 3.563 20 0 CHADMN Cc1conc1CN1CCC[C@@H]1c1c(C)cccc1C ZINC000878886031 1125183389 /nfs/dbraw/zinc/18/33/89/1125183389.db2.gz YMTUCVAXCWXYNH-MRXNPFEDSA-N 0 1 270.376 3.937 20 0 CHADMN COC[C@H](NCc1ccc(C)cc1)c1ccc(F)cc1 ZINC000530968557 1125190164 /nfs/dbraw/zinc/19/01/64/1125190164.db2.gz KDECGLYDJZOIDA-KRWDZBQOSA-N 0 1 273.351 3.611 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cc(C)c(O)c(C)c1 ZINC001211908468 1125192321 /nfs/dbraw/zinc/19/23/21/1125192321.db2.gz CHCQEPKUCCDYFK-UHFFFAOYSA-N 0 1 285.322 3.848 20 0 CHADMN CCCOc1ccc(C(C)(C)NCc2cncs2)cc1 ZINC000475674420 1125194624 /nfs/dbraw/zinc/19/46/24/1125194624.db2.gz QCLULTBNRSUBNB-UHFFFAOYSA-N 0 1 290.432 3.957 20 0 CHADMN C[C@H](NCc1nnc(-c2ccccc2)o1)[C@@]12C[C@@H]1CCCC2 ZINC000879262531 1125205677 /nfs/dbraw/zinc/20/56/77/1125205677.db2.gz FLRNUEVFZDGSCM-DHSIGJKJSA-N 0 1 297.402 3.795 20 0 CHADMN Cc1ccc(CN(Cc2ccco2)C[C@@H]2CCCO2)s1 ZINC000122817184 1125207170 /nfs/dbraw/zinc/20/71/70/1125207170.db2.gz VCPXWZNWPOSLAG-HNNXBMFYSA-N 0 1 291.416 3.831 20 0 CHADMN C[C@@H](NC1CCCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000122958901 1125215677 /nfs/dbraw/zinc/21/56/77/1125215677.db2.gz QHKJYGQBAIPHQJ-SNVBAGLBSA-N 0 1 291.782 3.983 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C(=O)C3(C)CCC3)[nH]c2c1 ZINC000531415779 1125216831 /nfs/dbraw/zinc/21/68/31/1125216831.db2.gz KCJQHBIDRHSAQZ-OAHLLOKOSA-N 0 1 297.402 3.725 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000879559136 1125220159 /nfs/dbraw/zinc/22/01/59/1125220159.db2.gz NFRBTWYMXMFBCO-UPJWGTAASA-N 0 1 294.464 3.718 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1csc(-c2ccccn2)n1 ZINC000123078756 1125222483 /nfs/dbraw/zinc/22/24/83/1125222483.db2.gz OEDNNTYBYPKQIQ-RYUDHWBXSA-N 0 1 273.405 3.578 20 0 CHADMN Cc1cc(C(=O)CN2CCC[C@@H]2c2ccccc2)c(C)n1C ZINC000531494651 1125223819 /nfs/dbraw/zinc/22/38/19/1125223819.db2.gz WMKPRYGXWYNMMS-GOSISDBHSA-N 0 1 296.414 3.662 20 0 CHADMN CCCc1nc(CNC(C)(C)C(O)(CC)CC)cs1 ZINC000879697120 1125227222 /nfs/dbraw/zinc/22/72/22/1125227222.db2.gz VLCIBYIJOALZCZ-UHFFFAOYSA-N 0 1 284.469 3.515 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NCc1ccc(Cl)c(Cl)c1 ZINC000237597681 1125234350 /nfs/dbraw/zinc/23/43/50/1125234350.db2.gz QOQAJAORMMNCTE-VIFPVBQESA-N 0 1 298.217 3.886 20 0 CHADMN Cc1ccc(CN2CCO[C@@](C)(c3ccccc3)C2)cc1 ZINC000532098381 1125234282 /nfs/dbraw/zinc/23/42/82/1125234282.db2.gz SLKQFGTZIQLRON-LJQANCHMSA-N 0 1 281.399 3.743 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(F)c1)c1cncs1 ZINC000128080631 1125239481 /nfs/dbraw/zinc/23/94/81/1125239481.db2.gz LLRHPRHBNZOTIA-VHSXEESVSA-N 0 1 250.342 3.694 20 0 CHADMN Cc1cccc2c(C[N@H+]3CC[C@@H]3c3ccccc3)[nH]nc21 ZINC001137149059 1125241712 /nfs/dbraw/zinc/24/17/12/1125241712.db2.gz CCNGEUKHMOBDPI-QGZVFWFLSA-N 0 1 277.371 3.818 20 0 CHADMN Cc1cccc2c(CN3CC[C@@H]3c3ccccc3)[nH]nc21 ZINC001137149059 1125241716 /nfs/dbraw/zinc/24/17/16/1125241716.db2.gz CCNGEUKHMOBDPI-QGZVFWFLSA-N 0 1 277.371 3.818 20 0 CHADMN CCC[C@@H](NCc1cc(CC)no1)c1ccccc1 ZINC000532232495 1125243240 /nfs/dbraw/zinc/24/32/40/1125243240.db2.gz GWNUIGVHQSADLC-MRXNPFEDSA-N 0 1 258.365 3.868 20 0 CHADMN Cc1csc([C@@H]2CCN(Cc3nc(C)c(C)s3)C2)n1 ZINC000880009100 1125245428 /nfs/dbraw/zinc/24/54/28/1125245428.db2.gz ZNUQALPQBSUCNK-GFCCVEGCSA-N 0 1 293.461 3.514 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000925254901 1125247263 /nfs/dbraw/zinc/24/72/63/1125247263.db2.gz RZRKFSHENCTGIB-STQMWFEESA-N 0 1 288.366 3.950 20 0 CHADMN Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](CF)C3)co2)cc1 ZINC000880234073 1125258089 /nfs/dbraw/zinc/25/80/89/1125258089.db2.gz HOCZKXHCBBPNMD-CQSZACIVSA-N 0 1 288.366 3.832 20 0 CHADMN Cc1ccc(-c2nc(CN3CCC[C@H](CF)C3)co2)cc1 ZINC000880234073 1125258090 /nfs/dbraw/zinc/25/80/90/1125258090.db2.gz HOCZKXHCBBPNMD-CQSZACIVSA-N 0 1 288.366 3.832 20 0 CHADMN Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880232195 1125258116 /nfs/dbraw/zinc/25/81/16/1125258116.db2.gz IRMMWFGYRZXQKX-LBPRGKRZSA-N 0 1 294.395 3.893 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN1CCC[C@@H](CF)C1 ZINC000880232195 1125258118 /nfs/dbraw/zinc/25/81/18/1125258118.db2.gz IRMMWFGYRZXQKX-LBPRGKRZSA-N 0 1 294.395 3.893 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CC[C@H](c2nccs2)C1 ZINC000880317054 1125264152 /nfs/dbraw/zinc/26/41/52/1125264152.db2.gz OSOYLODHWHMVKP-QWRGUYRKSA-N 0 1 294.370 3.972 20 0 CHADMN C[C@H](CNC1(c2ncccn2)CCC1)CC(C)(C)C ZINC000880368289 1125268120 /nfs/dbraw/zinc/26/81/20/1125268120.db2.gz VRGVXVVDADBSKZ-ZDUSSCGKSA-N 0 1 261.413 3.518 20 0 CHADMN Cc1ccc(CN2CCc3ccsc3[C@@H]2C)cn1 ZINC000880377479 1125269716 /nfs/dbraw/zinc/26/97/16/1125269716.db2.gz XARFNEQGFRQBJF-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN Clc1cccc([C@H]2CC[C@H](NCc3ccon3)C2)c1 ZINC000666093576 1125281057 /nfs/dbraw/zinc/28/10/57/1125281057.db2.gz PWADHIHGIKWXFS-JSGCOSHPSA-N 0 1 276.767 3.754 20 0 CHADMN Cc1cccc(-c2cc(F)c3c(c2)CN(C)CC3)c1 ZINC001239492100 1131344822 /nfs/dbraw/zinc/34/48/22/1131344822.db2.gz QYNKWADKAFIJAN-UHFFFAOYSA-N 0 1 255.336 3.789 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)Nc2ccccc2C)o1 ZINC000055528037 1125293129 /nfs/dbraw/zinc/29/31/29/1125293129.db2.gz YBRPGESLGUKEFP-UHFFFAOYSA-N 0 1 286.375 3.682 20 0 CHADMN CC(C)c1ccc(CN(C)C(=O)c2cc(C3CC3)[nH]n2)cc1 ZINC000032346042 1125296306 /nfs/dbraw/zinc/29/63/06/1125296306.db2.gz HBCATKVUOXEXNR-UHFFFAOYSA-N 0 1 297.402 3.683 20 0 CHADMN CCOc1ccc(CN(CC)Cc2ccoc2)cc1 ZINC000102518934 1125298844 /nfs/dbraw/zinc/29/88/44/1125298844.db2.gz YEFOUWDOUUYPDQ-UHFFFAOYSA-N 0 1 259.349 3.700 20 0 CHADMN CC[C@@]1(C)CCN([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC001168163411 1125299222 /nfs/dbraw/zinc/29/92/22/1125299222.db2.gz MTQMFOYFFNSEEN-GUYCJALGSA-N 0 1 292.398 3.583 20 0 CHADMN CC[C@]1(C)CCN([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC001168163414 1125300283 /nfs/dbraw/zinc/30/02/83/1125300283.db2.gz MTQMFOYFFNSEEN-SUMWQHHRSA-N 0 1 292.398 3.583 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1c[nH]c2ccccc12 ZINC000888113245 1125326927 /nfs/dbraw/zinc/32/69/27/1125326927.db2.gz FCBRTBCIIBPHPG-UHFFFAOYSA-N 0 1 282.347 3.575 20 0 CHADMN CCN(Cc1ccc(Cl)nc1)Cc1cccc(OC)c1 ZINC001137168690 1125329500 /nfs/dbraw/zinc/32/95/00/1125329500.db2.gz MFRUJECCAOXBKM-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc(C2CCCCC2)no1)C1CCC1 ZINC000192879930 1125336232 /nfs/dbraw/zinc/33/62/32/1125336232.db2.gz ATTZRRFBEPLOLI-NEPJUHHUSA-N 0 1 277.412 3.957 20 0 CHADMN C[C@H](NCc1cc(F)cc2cccnc21)c1cccnc1 ZINC000193108216 1125336494 /nfs/dbraw/zinc/33/64/94/1125336494.db2.gz KYOAUDKDBLNWSU-LBPRGKRZSA-N 0 1 281.334 3.620 20 0 CHADMN CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CCCCC1 ZINC000193141890 1125337797 /nfs/dbraw/zinc/33/77/97/1125337797.db2.gz UPKYVOMMWMCVRG-CQSZACIVSA-N 0 1 288.435 3.624 20 0 CHADMN Cc1ncc(CN2CC=C(c3ccc(F)cc3)CC2)s1 ZINC000193479381 1125344667 /nfs/dbraw/zinc/34/46/67/1125344667.db2.gz RWSZZZFZIATSTA-UHFFFAOYSA-N 0 1 288.391 3.880 20 0 CHADMN CSc1ccc(-c2c[nH]cc3nc(C)nc2-3)cc1 ZINC001239498948 1131349432 /nfs/dbraw/zinc/34/94/32/1131349432.db2.gz QKGMWHLZYOTLPY-UHFFFAOYSA-N 0 1 255.346 3.655 20 0 CHADMN CSc1ccc(-c2cncc3[nH]c(C)nc32)cc1 ZINC001239498948 1131349435 /nfs/dbraw/zinc/34/94/35/1131349435.db2.gz QKGMWHLZYOTLPY-UHFFFAOYSA-N 0 1 255.346 3.655 20 0 CHADMN CCc1ncc(C[N@@H+](C)[C@@H]2CCCc3ccccc32)cn1 ZINC000666293066 1125349252 /nfs/dbraw/zinc/34/92/52/1125349252.db2.gz XHHJOXKFQWVQOH-QGZVFWFLSA-N 0 1 281.403 3.548 20 0 CHADMN CCc1ncc(CN(C)[C@@H]2CCCc3ccccc32)cn1 ZINC000666293066 1125349254 /nfs/dbraw/zinc/34/92/54/1125349254.db2.gz XHHJOXKFQWVQOH-QGZVFWFLSA-N 0 1 281.403 3.548 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](C)c2ccsc2)s1 ZINC000309532547 1125362000 /nfs/dbraw/zinc/36/20/00/1125362000.db2.gz DMELWFDYKGYSAE-DTWKUNHWSA-N 0 1 252.408 3.925 20 0 CHADMN C[C@H](N[C@H]1CCc2c1cccc2O)c1ccnc(Cl)c1 ZINC000130507029 1125362411 /nfs/dbraw/zinc/36/24/11/1125362411.db2.gz IFVBXDCIOOHXCR-HZMBPMFUSA-N 0 1 288.778 3.779 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1cccc(F)c1 ZINC000037246934 1125364748 /nfs/dbraw/zinc/36/47/48/1125364748.db2.gz NVUSXBNBWMPXHQ-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1cc(F)ccc1F ZINC000760251578 1125365134 /nfs/dbraw/zinc/36/51/34/1125365134.db2.gz YOAKCJAFGKMXJA-ZJUUUORDSA-N 0 1 250.292 3.705 20 0 CHADMN CC[N@@H+](Cc1c2ccccc2sc1C(=O)[O-])C1CC1 ZINC000037080196 1125365458 /nfs/dbraw/zinc/36/54/58/1125365458.db2.gz BZNRGMPSTIVEFR-UHFFFAOYSA-N 0 1 275.373 3.584 20 0 CHADMN Cc1ccc(-c2nc(CN[C@H]3CS[C@@H](C)C3)co2)cc1 ZINC000666418260 1125365563 /nfs/dbraw/zinc/36/55/63/1125365563.db2.gz VLZCEJAJSTZHQH-GXTWGEPZSA-N 0 1 288.416 3.634 20 0 CHADMN C[C@@H]1CCCC[N@H+]1Cc1c2ccccc2sc1C(=O)[O-] ZINC000037337302 1125367344 /nfs/dbraw/zinc/36/73/44/1125367344.db2.gz OMHAEODGSOUNBZ-LLVKDONJSA-N 0 1 289.400 3.974 20 0 CHADMN C[N@H+](Cc1c(C(=O)[O-])sc2cccc(F)c21)CC1CC1 ZINC000037925801 1125369597 /nfs/dbraw/zinc/36/95/97/1125369597.db2.gz JUDDXQQMQFZWKH-UHFFFAOYSA-N 0 1 293.363 3.580 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cccc(Cl)c1N ZINC000883082666 1125370572 /nfs/dbraw/zinc/37/05/72/1125370572.db2.gz NQOXCFFGKMKRMW-LLVKDONJSA-N 0 1 289.810 3.730 20 0 CHADMN C[C@@H](NCc1cccc(Br)n1)c1ccccc1 ZINC000130988148 1125371885 /nfs/dbraw/zinc/37/18/85/1125371885.db2.gz DAWOJNATDHLNSH-LLVKDONJSA-N 0 1 291.192 3.695 20 0 CHADMN CCN(Cc1nc2c(s1)CCC2)C1CC(C)(C)C1 ZINC000666459581 1125372770 /nfs/dbraw/zinc/37/27/70/1125372770.db2.gz OZBHANJLPXWERH-UHFFFAOYSA-N 0 1 264.438 3.642 20 0 CHADMN Cc1ncc([C@H](C)NCc2cccc(Cl)c2N)s1 ZINC000883193885 1125375571 /nfs/dbraw/zinc/37/55/71/1125375571.db2.gz HTLSUGWNXGKHKU-QMMMGPOBSA-N 0 1 281.812 3.538 20 0 CHADMN Brc1cccc2c1CN(CC1CCC1)CC2 ZINC000222216360 1125375984 /nfs/dbraw/zinc/37/59/84/1125375984.db2.gz ATKOPNMOHMNCDU-UHFFFAOYSA-N 0 1 280.209 3.607 20 0 CHADMN CC[C@@H](NCc1ccn(C)c1)c1sccc1Cl ZINC000883195471 1125376648 /nfs/dbraw/zinc/37/66/48/1125376648.db2.gz UOQHHESVEAPZDN-GFCCVEGCSA-N 0 1 268.813 3.981 20 0 CHADMN CCSc1ccc(CN[C@H](C)c2cncnc2C)cc1 ZINC000883245552 1125383861 /nfs/dbraw/zinc/38/38/61/1125383861.db2.gz NTLUGHALHBBWHP-GFCCVEGCSA-N 0 1 287.432 3.748 20 0 CHADMN C[C@H](NC[C@@H]1CCC(C)(C)CO1)c1cccnc1Cl ZINC000883249653 1125384623 /nfs/dbraw/zinc/38/46/23/1125384623.db2.gz NCZABDPNYYCTCB-RYUDHWBXSA-N 0 1 282.815 3.591 20 0 CHADMN C[N@@H+](Cc1ccsc1)Cc1ccc(-n2cccn2)cc1 ZINC000052662596 1125384809 /nfs/dbraw/zinc/38/48/09/1125384809.db2.gz IHJOKEOYGUNVDB-UHFFFAOYSA-N 0 1 283.400 3.566 20 0 CHADMN CN(Cc1ccsc1)Cc1ccc(-n2cccn2)cc1 ZINC000052662596 1125384811 /nfs/dbraw/zinc/38/48/11/1125384811.db2.gz IHJOKEOYGUNVDB-UHFFFAOYSA-N 0 1 283.400 3.566 20 0 CHADMN c1c[nH]c([C@H](NCC2(CC3CC3)CC2)c2ccccc2)n1 ZINC000883253376 1125385356 /nfs/dbraw/zinc/38/53/56/1125385356.db2.gz QHXDPZKANODDGA-MRXNPFEDSA-N 0 1 281.403 3.669 20 0 CHADMN NC1(c2nc(-c3ccc(Cl)cc3)no2)CCCCC1 ZINC000041032779 1125388035 /nfs/dbraw/zinc/38/80/35/1125388035.db2.gz TWSRTVOYWGAGKD-UHFFFAOYSA-N 0 1 277.755 3.508 20 0 CHADMN CCc1ccc(CN[C@H]2COCc3ccccc32)s1 ZINC000225159623 1125388769 /nfs/dbraw/zinc/38/87/69/1125388769.db2.gz NTAVSYBGNRXVOE-INIZCTEOSA-N 0 1 273.401 3.672 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2)C2CCC2)on1 ZINC000170919743 1125390843 /nfs/dbraw/zinc/39/08/43/1125390843.db2.gz PAVTYPDLQCJOKM-INIZCTEOSA-N 0 1 256.349 3.614 20 0 CHADMN Cc1ccc(CNCc2ccc(C)nc2Cl)cc1 ZINC000883291346 1125391295 /nfs/dbraw/zinc/39/12/95/1125391295.db2.gz AVFXHHCQHIHNJV-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN O=C1CCN(Cc2cccc3ncccc23)[C@H]2CCCC[C@H]12 ZINC001137623169 1125392097 /nfs/dbraw/zinc/39/20/97/1125392097.db2.gz TUNIUXSJCLFXOZ-WMZOPIPTSA-N 0 1 294.398 3.568 20 0 CHADMN Cc1csc([C@H](C)NC[C@@H]2CCC3(CCCC3)O2)n1 ZINC000229292858 1125393339 /nfs/dbraw/zinc/39/33/39/1125393339.db2.gz JSZBKXIMSCMHGA-STQMWFEESA-N 0 1 280.437 3.594 20 0 CHADMN COc1cccc2c1OCCC[C@@H]2N[C@H](C)c1ccccn1 ZINC000883330880 1125397720 /nfs/dbraw/zinc/39/77/20/1125397720.db2.gz NZNVGUWJJIQVMT-CJNGLKHVSA-N 0 1 298.386 3.655 20 0 CHADMN Cc1nc(-c2ccccc2-c2ccccc2)nc2nc[nH]c21 ZINC001239505108 1131352494 /nfs/dbraw/zinc/35/24/94/1131352494.db2.gz QTICXHLPEFXACJ-UHFFFAOYSA-N 0 1 286.338 3.947 20 0 CHADMN Cc1ccc(-c2nnc(CN[C@H](C)C(C)(C)C)o2)cc1 ZINC000074316894 1125400968 /nfs/dbraw/zinc/40/09/68/1125400968.db2.gz MUULWLWEIVIGKK-GFCCVEGCSA-N 0 1 273.380 3.569 20 0 CHADMN CC(C)(C)c1cnc(CNC[C@@H]2CCC3(CCC3)O2)s1 ZINC000883363534 1125402404 /nfs/dbraw/zinc/40/24/04/1125402404.db2.gz HHXIBUHARODSSS-LBPRGKRZSA-N 0 1 294.464 3.632 20 0 CHADMN Cc1ccccc1OCCN1CC=C(C(F)(F)F)CC1 ZINC000757117413 1125406036 /nfs/dbraw/zinc/40/60/36/1125406036.db2.gz MLWJQPIIPWZQFR-UHFFFAOYSA-N 0 1 285.309 3.568 20 0 CHADMN CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C)CC1 ZINC000532486538 1125407098 /nfs/dbraw/zinc/40/70/98/1125407098.db2.gz IVGIQCDFCPUQPE-HUUCEWRRSA-N 0 1 288.435 3.698 20 0 CHADMN CCCc1nc(CN(C)[C@H](C)C(C)(C)C)cs1 ZINC000532490676 1125407703 /nfs/dbraw/zinc/40/77/03/1125407703.db2.gz QFZGKIZMSWIVEF-LLVKDONJSA-N 0 1 254.443 3.962 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)Nc1ccc2[nH]nnc2c1 ZINC001137189342 1125410189 /nfs/dbraw/zinc/41/01/89/1125410189.db2.gz OCPMMWSZUBLDRA-INIZCTEOSA-N 0 1 288.395 3.893 20 0 CHADMN COc1cc(C)ccc1[C@H](C)N[C@H](CO)c1ccccc1C ZINC000532549916 1125410661 /nfs/dbraw/zinc/41/06/61/1125410661.db2.gz IZBLYMZXVHFSRQ-MAUKXSAKSA-N 0 1 299.414 3.696 20 0 CHADMN CN(CC(=O)Nc1cccc2ccccc21)CC(C)(C)C ZINC000532549995 1125410665 /nfs/dbraw/zinc/41/06/65/1125410665.db2.gz KKHLOKFLCHXLGD-UHFFFAOYSA-N 0 1 284.403 3.756 20 0 CHADMN CC1(C)Nc2ccccc2[C@H]1NCc1ccc(Cl)nc1 ZINC000883463500 1125411170 /nfs/dbraw/zinc/41/11/70/1125411170.db2.gz RGTLTVFQNFMQIO-OAHLLOKOSA-N 0 1 287.794 3.770 20 0 CHADMN Clc1scc(CN[C@H]2CCSC2)c1Cl ZINC000307634358 1125414044 /nfs/dbraw/zinc/41/40/44/1125414044.db2.gz SPZWGFNORXOQBV-ZETCQYMHSA-N 0 1 268.234 3.650 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2nc(C)c3ccccc3n2)C1 ZINC000532569748 1125415191 /nfs/dbraw/zinc/41/51/91/1125415191.db2.gz QKDVFNCFEHVFRL-SFHVURJKSA-N 0 1 283.419 3.950 20 0 CHADMN C[C@H](c1cn(-c2ccccc2)nn1)N1CCC2(CCCC2)C1 ZINC000132332103 1125417125 /nfs/dbraw/zinc/41/71/25/1125417125.db2.gz OWOZXSATTLTYRT-OAHLLOKOSA-N 0 1 296.418 3.594 20 0 CHADMN CC[C@@H](CC1CCCC1)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000332976051 1125429765 /nfs/dbraw/zinc/42/97/65/1125429765.db2.gz LELVFQGSPPAOQE-ZFWWWQNUSA-N 0 1 289.423 3.510 20 0 CHADMN C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCC2(CCC2)C1 ZINC000123613550 1125431747 /nfs/dbraw/zinc/43/17/47/1125431747.db2.gz DWNFIYYMEOBWMZ-CYBMUJFWSA-N 0 1 283.375 3.674 20 0 CHADMN C[C@H](c1nnc(-c2ccccc2)o1)N1CCC2(CCC2)C1 ZINC000123613550 1125431749 /nfs/dbraw/zinc/43/17/49/1125431749.db2.gz DWNFIYYMEOBWMZ-CYBMUJFWSA-N 0 1 283.375 3.674 20 0 CHADMN Cc1cc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)c2ccccc2n1 ZINC000348248962 1125432130 /nfs/dbraw/zinc/43/21/30/1125432130.db2.gz XDSSHGQBPFWADD-AUUYWEPGSA-N 0 1 296.414 3.543 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2cc(Cl)sc2Cl)n1 ZINC000225434744 1125433324 /nfs/dbraw/zinc/43/33/24/1125433324.db2.gz JLGUSAHWIAYMTC-SSDOTTSWSA-N 0 1 292.191 3.761 20 0 CHADMN COCc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)o1 ZINC000124063538 1125434096 /nfs/dbraw/zinc/43/40/96/1125434096.db2.gz XXNPWTWGEDWECV-QGZVFWFLSA-N 0 1 289.350 3.902 20 0 CHADMN CCc1ccc(CN2C[C@@H](C)C[C@H]2c2cccnc2)cn1 ZINC000348255167 1125443413 /nfs/dbraw/zinc/44/34/13/1125443413.db2.gz RQIIBRFQIBRYFQ-KSSFIOAISA-N 0 1 281.403 3.622 20 0 CHADMN C[C@H](NC1CC(c2cc(F)cc(F)c2)C1)c1ccon1 ZINC000348257000 1125446461 /nfs/dbraw/zinc/44/64/61/1125446461.db2.gz ZLHPGHXNIIDQPR-VOIZVOFFSA-N 0 1 278.302 3.550 20 0 CHADMN CCOC[C@H](C)NCc1cccc(Cl)c1Cl ZINC000044689817 1125455319 /nfs/dbraw/zinc/45/53/19/1125455319.db2.gz AHEQTGVSAVSYDF-VIFPVBQESA-N 0 1 262.180 3.508 20 0 CHADMN CCOc1ccc(CN(Cc2nccnc2C)C(C)C)cc1 ZINC000621711762 1129184957 /nfs/dbraw/zinc/18/49/57/1129184957.db2.gz GGUNMWRUEHTKOL-UHFFFAOYSA-N 0 1 299.418 3.594 20 0 CHADMN CCOc1cc(CN2CC(C)(c3ccccc3)C2)ccc1O ZINC000621735523 1129188455 /nfs/dbraw/zinc/18/84/55/1129188455.db2.gz LJNCRWATDZKIAP-UHFFFAOYSA-N 0 1 297.398 3.564 20 0 CHADMN Fc1ccc(CN2CC(Cc3ccsc3)C2)cc1 ZINC000621741395 1129189220 /nfs/dbraw/zinc/18/92/20/1129189220.db2.gz QBJJZCHQIHDKEN-UHFFFAOYSA-N 0 1 261.365 3.562 20 0 CHADMN Cc1[nH]ncc1CN(C)C(=O)c1cccc(C2CCCC2)c1 ZINC000636070248 1129197662 /nfs/dbraw/zinc/19/76/62/1129197662.db2.gz AWFACUXZMDSUGI-UHFFFAOYSA-N 0 1 297.402 3.648 20 0 CHADMN CC[C@H](C)[C@H](C(=O)N(C)Cc1cn[nH]c1C)c1ccccc1 ZINC000636067785 1129197798 /nfs/dbraw/zinc/19/77/98/1129197798.db2.gz XKQZBAIIGPSECS-GUYCJALGSA-N 0 1 299.418 3.506 20 0 CHADMN CCCOc1ccc(CN(C)Cc2ccco2)cc1 ZINC000163400954 1129201307 /nfs/dbraw/zinc/20/13/07/1129201307.db2.gz BECJDVZYKDTNSX-UHFFFAOYSA-N 0 1 259.349 3.700 20 0 CHADMN CCCC[C@@H](C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1)C(C)C ZINC000621935796 1129207116 /nfs/dbraw/zinc/20/71/16/1129207116.db2.gz JHDHLLPLNFQSLU-CHWSQXEVSA-N 0 1 294.443 3.568 20 0 CHADMN C[C@@H](NCc1ccoc1)c1cccc(N2CCCC2)c1 ZINC000088764370 1129209235 /nfs/dbraw/zinc/20/92/35/1129209235.db2.gz TVQHWJPWIJROOP-CQSZACIVSA-N 0 1 270.376 3.731 20 0 CHADMN CCC1(CC)CCC(NC(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC000621970514 1129210521 /nfs/dbraw/zinc/21/05/21/1129210521.db2.gz GPRVOLPFYIEREW-UHFFFAOYSA-N 0 1 291.439 3.553 20 0 CHADMN CC[C@H](NCc1c(C)noc1C)c1ccsc1 ZINC000294175649 1129214335 /nfs/dbraw/zinc/21/43/35/1129214335.db2.gz CZZZLTFXFOSNPJ-ZDUSSCGKSA-N 0 1 250.367 3.594 20 0 CHADMN C[C@@H](N[C@H]1CCn2ccnc21)c1cccc2ccccc21 ZINC000294207431 1129214356 /nfs/dbraw/zinc/21/43/56/1129214356.db2.gz TZPIMDPTIGSNHZ-DYVFJYSZSA-N 0 1 277.371 3.832 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@H](C)c1cn[nH]c1 ZINC000296210904 1129221087 /nfs/dbraw/zinc/22/10/87/1129221087.db2.gz ZHQNDBXVUBEQBS-BXUZGUMPSA-N 0 1 273.380 3.675 20 0 CHADMN CC(C)N(Cc1ccccc1)[C@@H](c1nccn1C)C1CC1 ZINC000637810725 1129231105 /nfs/dbraw/zinc/23/11/05/1129231105.db2.gz KKDRUVYQLIIUMQ-QGZVFWFLSA-N 0 1 283.419 3.782 20 0 CHADMN Cc1cc(CN)oc1C(=O)Nc1c(C)cccc1C(C)C ZINC000637873408 1129233326 /nfs/dbraw/zinc/23/33/26/1129233326.db2.gz ADQIELUCOVIBNP-UHFFFAOYSA-N 0 1 286.375 3.731 20 0 CHADMN Cc1ncc([C@H](C)N2CCc3ccccc3[C@H]2C)c(C)n1 ZINC000638039424 1129240997 /nfs/dbraw/zinc/24/09/97/1129240997.db2.gz WDEWYSQDPVTZTO-KGLIPLIRSA-N 0 1 281.403 3.774 20 0 CHADMN Cc1ncc([C@@H](C)N2CCc3ccccc3[C@@H]2C)c(C)n1 ZINC000638039425 1129241624 /nfs/dbraw/zinc/24/16/24/1129241624.db2.gz WDEWYSQDPVTZTO-UONOGXRCSA-N 0 1 281.403 3.774 20 0 CHADMN Cc1ccc([C@H]2CCCN2[C@H](C)c2cnc(C)nc2C)o1 ZINC000638086646 1129242629 /nfs/dbraw/zinc/24/26/29/1129242629.db2.gz HVYLKGSDHMFWTF-CZUORRHYSA-N 0 1 285.391 3.893 20 0 CHADMN Cc1ncc([C@H](C)N2Cc3ccccc3C[C@@H]2C)c(C)n1 ZINC000638114971 1129243196 /nfs/dbraw/zinc/24/31/96/1129243196.db2.gz DKOCKKOIPDPCOD-JSGCOSHPSA-N 0 1 281.403 3.601 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000336819506 1129244313 /nfs/dbraw/zinc/24/43/13/1129244313.db2.gz AIZFXQRQXSFNJQ-STQMWFEESA-N 0 1 289.366 3.531 20 0 CHADMN COC[C@H](N[C@H](C)c1ccnc(Cl)c1)c1ccccc1 ZINC000089668617 1129246457 /nfs/dbraw/zinc/24/64/57/1129246457.db2.gz LTPGYYSYWPTMHB-DOMZBBRYSA-N 0 1 290.794 3.773 20 0 CHADMN Cn1ccnc1[C@@H](N[C@@H](c1cccs1)C1CC1)C1CC1 ZINC000638319914 1129253558 /nfs/dbraw/zinc/25/35/58/1129253558.db2.gz SWGMWASOHCGUSS-CABCVRRESA-N 0 1 287.432 3.674 20 0 CHADMN CSc1ccc(CNCc2cnc(Cl)s2)cc1 ZINC000718184275 1129255412 /nfs/dbraw/zinc/25/54/12/1129255412.db2.gz BAEDJXYFMCTLNW-UHFFFAOYSA-N 0 1 284.837 3.808 20 0 CHADMN Cc1ccc(CNCc2cnc(Cl)s2)c(C)c1 ZINC000718187821 1129257721 /nfs/dbraw/zinc/25/77/21/1129257721.db2.gz QMEJYHAOWYNJHC-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN Cc1cnc(CNCCCCOc2ccc(Cl)cc2)o1 ZINC000638438836 1129258339 /nfs/dbraw/zinc/25/83/39/1129258339.db2.gz DSOCSUSOVHZKAX-UHFFFAOYSA-N 0 1 294.782 3.585 20 0 CHADMN COc1cccc(C)c1CNCc1ccc(C)c(OC)c1 ZINC000638435208 1129258549 /nfs/dbraw/zinc/25/85/49/1129258549.db2.gz SSDCYEUHGCHIAO-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN CC(C)COC[C@H](N[C@H](C)[C@@H]1CC1(F)F)c1ccco1 ZINC000638475123 1129260103 /nfs/dbraw/zinc/26/01/03/1129260103.db2.gz TVFVUPSYIBTYAQ-AGIUHOORSA-N 0 1 287.350 3.627 20 0 CHADMN CC(C)COC[C@H](N[C@H](C)[C@H]1CC1(F)F)c1ccco1 ZINC000638475125 1129260182 /nfs/dbraw/zinc/26/01/82/1129260182.db2.gz TVFVUPSYIBTYAQ-UPJWGTAASA-N 0 1 287.350 3.627 20 0 CHADMN Cc1ccc(CN(C)C[C@H](O)c2ccc(F)cc2Cl)o1 ZINC000184912786 1129261489 /nfs/dbraw/zinc/26/14/89/1129261489.db2.gz BRCBMIHXXLKEKG-HNNXBMFYSA-N 0 1 297.757 3.546 20 0 CHADMN CC(C)COCCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000184902392 1129262011 /nfs/dbraw/zinc/26/20/11/1129262011.db2.gz DRHAABUOYHTDKF-GFCCVEGCSA-N 0 1 285.815 3.759 20 0 CHADMN Cc1csc(C(=O)Nc2cc(F)cc(Cl)c2O)c1 ZINC000622518811 1129263352 /nfs/dbraw/zinc/26/33/52/1129263352.db2.gz IIDVHXHQIJVTEI-UHFFFAOYSA-N 0 1 285.727 3.807 20 0 CHADMN CC[C@H](NCc1cccc(F)c1N)c1ccc(F)cc1F ZINC000638658291 1129264919 /nfs/dbraw/zinc/26/49/19/1129264919.db2.gz WEXVDLDFBCIIGL-HNNXBMFYSA-N 0 1 294.320 3.927 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1N[C@@H](c1nccn1C)C1CC1 ZINC000638821853 1129271230 /nfs/dbraw/zinc/27/12/30/1129271230.db2.gz BSHFPYROHSSXSW-FSPWUOQZSA-N 0 1 295.430 3.784 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@H](c3cccc(C)c3)C2)s1 ZINC000282645999 1129275370 /nfs/dbraw/zinc/27/53/70/1129275370.db2.gz CARPGCJPZDNMEF-WFASDCNBSA-N 0 1 287.432 3.705 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(C)cc(Cl)n2)cc1 ZINC000282683885 1129276797 /nfs/dbraw/zinc/27/67/97/1129276797.db2.gz JVHUZYVTCAYZIR-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@H](c1ccncc1)N(C)Cc1cc2ccccc2n1C ZINC000639040448 1129277692 /nfs/dbraw/zinc/27/76/92/1129277692.db2.gz IIAWSVJVUSIHFC-CQSZACIVSA-N 0 1 279.387 3.766 20 0 CHADMN Cc1scc(CN(C)[C@@H](C)c2ccncc2)c1C ZINC000639041792 1129278061 /nfs/dbraw/zinc/27/80/61/1129278061.db2.gz ZANXMCOGJFOEKZ-LBPRGKRZSA-N 0 1 260.406 3.953 20 0 CHADMN CC(C)CO[C@H]1CCN(Cc2cccc(C(F)F)c2)C1 ZINC000348064382 1129278302 /nfs/dbraw/zinc/27/83/02/1129278302.db2.gz XSKZNWJXJCLNDC-HNNXBMFYSA-N 0 1 283.362 3.871 20 0 CHADMN C[C@]12CCCC[C@H]1CN2Cc1nc2cc(F)ccc2o1 ZINC000626105195 1129280806 /nfs/dbraw/zinc/28/08/06/1129280806.db2.gz WUPPGAWPYDWKHL-ZBEGNZNMSA-N 0 1 274.339 3.731 20 0 CHADMN c1cc([C@@H]2CCCCN2Cc2cccc3ncccc23)n[nH]1 ZINC000639170559 1129288871 /nfs/dbraw/zinc/28/88/71/1129288871.db2.gz JPUFVJXKZYUOFI-SFHVURJKSA-N 0 1 292.386 3.685 20 0 CHADMN Cc1n[nH]c(C)c1[C@H]1CCCCCN1Cc1ccns1 ZINC000639176863 1129289719 /nfs/dbraw/zinc/28/97/19/1129289719.db2.gz LXHOJPGHTOTYAL-CQSZACIVSA-N 0 1 290.436 3.600 20 0 CHADMN Cc1cc(CNCc2cccc(Br)c2)c(C)o1 ZINC000734003716 1129290938 /nfs/dbraw/zinc/29/09/38/1129290938.db2.gz YJDSSOSRPJIKFD-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN CC(C)[C@H]1N(Cc2cc(C3CC3)no2)CC12CCC2 ZINC000639198488 1129291514 /nfs/dbraw/zinc/29/15/14/1129291514.db2.gz CPRXZMGTXHJPDB-OAHLLOKOSA-N 0 1 260.381 3.563 20 0 CHADMN Cc1cnc(CNC[C@@H]2CCC[C@H]2c2ccccc2)o1 ZINC000639218950 1129294403 /nfs/dbraw/zinc/29/44/03/1129294403.db2.gz KBBQVMWURUFVPB-HOTGVXAUSA-N 0 1 270.376 3.657 20 0 CHADMN C[C@@]1(CNCc2nnc(C3CC3)s2)C[C@H]1c1ccccc1 ZINC000639269831 1129297823 /nfs/dbraw/zinc/29/78/23/1129297823.db2.gz LMCZMVBACFDHMX-YOEHRIQHSA-N 0 1 299.443 3.699 20 0 CHADMN CCc1ccc(C)nc1N[C@@H](C)c1cnc(C)nc1C ZINC000639306450 1129301238 /nfs/dbraw/zinc/30/12/38/1129301238.db2.gz CWYUQGUIKBACGV-LBPRGKRZSA-N 0 1 270.380 3.532 20 0 CHADMN Cc1ccnc(NCc2cccc(F)c2N)c1C1CC1 ZINC000639312025 1129301622 /nfs/dbraw/zinc/30/16/22/1129301622.db2.gz SMSDSZTZRKBUJG-UHFFFAOYSA-N 0 1 271.339 3.601 20 0 CHADMN CCn1nc(C)c(CN(C)Cc2ccsc2C)c1C ZINC000639361178 1129306101 /nfs/dbraw/zinc/30/61/01/1129306101.db2.gz TYBMIJUTWIBQFT-UHFFFAOYSA-N 0 1 277.437 3.522 20 0 CHADMN FC[C@@H](NC1CC2(CCC2)C1)c1ccc(F)cc1 ZINC000639394475 1129310400 /nfs/dbraw/zinc/31/04/00/1129310400.db2.gz ADIXAFCQEXLSJF-CQSZACIVSA-N 0 1 251.320 3.759 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1nc(C2CCC2)no1 ZINC000639490590 1129319958 /nfs/dbraw/zinc/31/99/58/1129319958.db2.gz SQEITFWVQJGNRA-CZUORRHYSA-N 0 1 297.402 3.715 20 0 CHADMN Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2c2cccn2C)c(C)n1 ZINC000639519267 1129321273 /nfs/dbraw/zinc/32/12/73/1129321273.db2.gz HYASMCVVUDTHGL-GOSISDBHSA-N 0 1 283.419 3.682 20 0 CHADMN Cc1cccc([C@H]2CCN(Cc3nc(C4CCC4)no3)C2)c1 ZINC000639576948 1129325183 /nfs/dbraw/zinc/32/51/83/1129325183.db2.gz ARSULXBZTVUBHK-INIZCTEOSA-N 0 1 297.402 3.635 20 0 CHADMN Cc1ncc2c(n1)CCC[C@@H]2N[C@H](C)c1ccc(F)cc1 ZINC000734850767 1129325643 /nfs/dbraw/zinc/32/56/43/1129325643.db2.gz MUERMCARKBCHRX-BZNIZROVSA-N 0 1 285.366 3.652 20 0 CHADMN CC[C@@H](OCC[N@H+]1CCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000639777138 1129332491 /nfs/dbraw/zinc/33/24/91/1129332491.db2.gz SPKGLVUIMFOWIT-ZWKOTPCHSA-N 0 1 299.418 3.715 20 0 CHADMN COc1c(F)ccc(F)c1-c1cccc(CN(C)C)c1F ZINC001240724633 1129333732 /nfs/dbraw/zinc/33/37/32/1129333732.db2.gz FONMTELECBSLLV-UHFFFAOYSA-N 0 1 295.304 3.841 20 0 CHADMN CC1(C)CN(C[C@@H]2CCC(C)(C)O2)[C@H]1c1ccco1 ZINC000639926643 1129339691 /nfs/dbraw/zinc/33/96/91/1129339691.db2.gz ANAMRIREVMXNME-JSGCOSHPSA-N 0 1 263.381 3.620 20 0 CHADMN COCOc1cc(C)ccc1-c1cncc2cc[nH]c21 ZINC001240755474 1129343854 /nfs/dbraw/zinc/34/38/54/1129343854.db2.gz RMBVOQOOMOGVAM-UHFFFAOYSA-N 0 1 268.316 3.521 20 0 CHADMN Cc1cccc(CNCc2nc3c(s2)CCC3)c1C ZINC000719617155 1129348192 /nfs/dbraw/zinc/34/81/92/1129348192.db2.gz MJPZKZKSFFIBSO-UHFFFAOYSA-N 0 1 272.417 3.538 20 0 CHADMN Cc1nc(CN2CCC[C@H](C3CCC3)CC2)oc1C ZINC000640106610 1129349026 /nfs/dbraw/zinc/34/90/26/1129349026.db2.gz RSTNTMPPZXMQEE-HNNXBMFYSA-N 0 1 262.397 3.694 20 0 CHADMN CCC1(CC)CCCN(C(=O)c2cc(C(F)F)[nH]n2)CC1 ZINC000640166329 1129350612 /nfs/dbraw/zinc/35/06/12/1129350612.db2.gz ZEFJVTNLDSOORT-UHFFFAOYSA-N 0 1 299.365 3.780 20 0 CHADMN CC(C)CC1(C)CCN(C(=O)c2cc(C(F)F)[nH]n2)CC1 ZINC000640338397 1129354954 /nfs/dbraw/zinc/35/49/54/1129354954.db2.gz WELUKFJCDUVACB-UHFFFAOYSA-N 0 1 299.365 3.636 20 0 CHADMN c1csc(-c2noc([C@@H]3CC[C@H]4CCCC[C@@H]4N3)n2)c1 ZINC000091355301 1129356249 /nfs/dbraw/zinc/35/62/49/1129356249.db2.gz MQADYHOIVYQWTP-WOPDTQHZSA-N 0 1 289.404 3.781 20 0 CHADMN CC(C)c1n[nH]c(COC(=O)c2ccc(C3CCC3)cc2)n1 ZINC000795549866 1129362619 /nfs/dbraw/zinc/36/26/19/1129362619.db2.gz QBDRBSREMUDVQD-UHFFFAOYSA-N 0 1 299.374 3.553 20 0 CHADMN CC(C)c1nc(COC(=O)c2ccc(C3CCC3)cc2)n[nH]1 ZINC000795549866 1129362622 /nfs/dbraw/zinc/36/26/22/1129362622.db2.gz QBDRBSREMUDVQD-UHFFFAOYSA-N 0 1 299.374 3.553 20 0 CHADMN Fc1ccc2c(c1)nccc2NCCNc1ccccc1 ZINC000736294431 1129372185 /nfs/dbraw/zinc/37/21/85/1129372185.db2.gz KIWKZONJPQDIIF-UHFFFAOYSA-N 0 1 281.334 3.898 20 0 CHADMN Cc1cccc(F)c1CN[C@@H](C)c1ccc2c(c1)CCO2 ZINC000766217321 1129372549 /nfs/dbraw/zinc/37/25/49/1129372549.db2.gz YBGAYJHNHBNVIB-ZDUSSCGKSA-N 0 1 285.362 3.920 20 0 CHADMN Cn1c2ccc(F)cc2nc1CNC/C=C\c1ccccc1 ZINC000736355701 1129373199 /nfs/dbraw/zinc/37/31/99/1129373199.db2.gz UMSDTCKWTONDJB-YVMONPNESA-N 0 1 295.361 3.515 20 0 CHADMN C[C@@H]1CCC[C@@H](CCn2cc([C@H](N)c3ccccc3)nn2)C1 ZINC000641140354 1129375039 /nfs/dbraw/zinc/37/50/39/1129375039.db2.gz AEJIJKAJCKIQEH-RVKKMQEKSA-N 0 1 298.434 3.543 20 0 CHADMN O[C@H](C[C@@H]1CCCN1Cc1ccc(Cl)o1)c1ccco1 ZINC000091957526 1129376274 /nfs/dbraw/zinc/37/62/74/1129376274.db2.gz PCEKOULADHXRFI-WCQYABFASA-N 0 1 295.766 3.614 20 0 CHADMN FC(F)SCc1ccc(CN2CCCCC2)o1 ZINC000092107345 1129379993 /nfs/dbraw/zinc/37/99/93/1129379993.db2.gz NKOPQHBKBJXAJH-UHFFFAOYSA-N 0 1 261.337 3.721 20 0 CHADMN Cc1cccc([C@H](C)OC(=O)c2cc(-c3ccco3)n[nH]2)c1 ZINC000737339685 1129389672 /nfs/dbraw/zinc/38/96/72/1129389672.db2.gz USDGLCCIFLYGFP-LBPRGKRZSA-N 0 1 296.326 3.896 20 0 CHADMN CCC[C@@H](NCc1ccncc1N)c1ccc(F)cc1F ZINC000641737300 1129390029 /nfs/dbraw/zinc/39/00/29/1129390029.db2.gz UPICLZNDXCRWSY-MRXNPFEDSA-N 0 1 291.345 3.573 20 0 CHADMN c1ccc2oc(CN[C@H]3CC34CCCCC4)nc2c1 ZINC000641789432 1129392178 /nfs/dbraw/zinc/39/21/78/1129392178.db2.gz PLFDCFRPVIMJOW-AWEZNQCLSA-N 0 1 256.349 3.640 20 0 CHADMN Cc1cccc(C)c1CONC(=O)C(C)(C)c1ccccc1 ZINC000738288588 1129392152 /nfs/dbraw/zinc/39/21/52/1129392152.db2.gz HRXFYZSWSAGVEC-UHFFFAOYSA-N 0 1 297.398 3.829 20 0 CHADMN C[C@H]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000641849239 1129394730 /nfs/dbraw/zinc/39/47/30/1129394730.db2.gz UDHWTGCEQBTOKV-LBPRGKRZSA-N 0 1 274.339 3.713 20 0 CHADMN CC1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000641849381 1129394921 /nfs/dbraw/zinc/39/49/21/1129394921.db2.gz ILQBIWPYNLZJTQ-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cc4ccsc4[nH]3)cc2[nH]1 ZINC000641953442 1129398006 /nfs/dbraw/zinc/39/80/06/1129398006.db2.gz VJZODYXHVAFIGG-UHFFFAOYSA-N 0 1 296.355 3.666 20 0 CHADMN COCCN(Cc1nc2ccccc2s1)C1CCCC1 ZINC000642189283 1129409645 /nfs/dbraw/zinc/40/96/45/1129409645.db2.gz ZZHHOLBVVSJKEK-UHFFFAOYSA-N 0 1 290.432 3.687 20 0 CHADMN Cc1ccc(C)c(NC(=O)c2cc(-c3ccoc3)n[nH]2)c1 ZINC000642649164 1129423042 /nfs/dbraw/zinc/42/30/42/1129423042.db2.gz UVQPPMWUPZVMNJ-UHFFFAOYSA-N 0 1 281.315 3.539 20 0 CHADMN C[C@@H](N[C@@H](C)c1nccn1-c1ccccc1)[C@@H]1CC1(F)F ZINC000642718675 1129424347 /nfs/dbraw/zinc/42/43/47/1129424347.db2.gz FSEGQGSDHXJTTG-DYEKYZERSA-N 0 1 291.345 3.567 20 0 CHADMN CCc1nnc(CN(C)[C@@H]2CCC[C@H]2C(C)(C)C)s1 ZINC000642718864 1129424517 /nfs/dbraw/zinc/42/45/17/1129424517.db2.gz ZKQAVFOMKXJHEC-VXGBXAGGSA-N 0 1 281.469 3.747 20 0 CHADMN Cc1ccc(COC(=O)[C@@H](C(C)C)N2CCCCC2)cc1 ZINC000741010461 1129425691 /nfs/dbraw/zinc/42/56/91/1129425691.db2.gz GBKKBYMLLPWIEH-QGZVFWFLSA-N 0 1 289.419 3.549 20 0 CHADMN Cc1cccc(NC2CCN(Cc3ccoc3)CC2)c1 ZINC000093607804 1129425905 /nfs/dbraw/zinc/42/59/05/1129425905.db2.gz LUYLFKRQUGHQCS-UHFFFAOYSA-N 0 1 270.376 3.665 20 0 CHADMN CC[C@@H](OC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC000741030172 1129426551 /nfs/dbraw/zinc/42/65/51/1129426551.db2.gz DOHYPVTVKMMRET-NVXWUHKLSA-N 0 1 289.419 3.945 20 0 CHADMN CC[C@H](OC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000741024417 1129426785 /nfs/dbraw/zinc/42/67/85/1129426785.db2.gz VLEGZYXORQVDJM-AIANPOQGSA-N 0 1 289.419 3.942 20 0 CHADMN Cc1ccc(C)c(COC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)c1 ZINC000741023424 1129426845 /nfs/dbraw/zinc/42/68/45/1129426845.db2.gz MOBNDCVTNPKKGL-OAGGEKHMSA-N 0 1 289.419 3.608 20 0 CHADMN C[C@@H](COC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC000741030228 1129426866 /nfs/dbraw/zinc/42/68/66/1129426866.db2.gz VLASWGHWICVZPD-HOTGVXAUSA-N 0 1 289.419 3.598 20 0 CHADMN C[C@H](C(=O)OC[C@@H](C)c1ccccc1)N1[C@H](C)CC[C@@H]1C ZINC000741018676 1129426925 /nfs/dbraw/zinc/42/69/25/1129426925.db2.gz UOGULGKRXVXPNB-LVQVYYBASA-N 0 1 289.419 3.595 20 0 CHADMN C[C@H](OC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)c1ccccc1 ZINC000741021771 1129426947 /nfs/dbraw/zinc/42/69/47/1129426947.db2.gz PKYDQNOXVQRIRR-AJNGGQMLSA-N 0 1 275.392 3.552 20 0 CHADMN Cc1n[nH]c(C2CC2)c1-c1nc(-c2cccc(F)c2C)no1 ZINC001212959159 1129429792 /nfs/dbraw/zinc/42/97/92/1129429792.db2.gz VWDYPBTXAPSBHQ-UHFFFAOYSA-N 0 1 298.321 3.760 20 0 CHADMN Cn1nc(CNCc2cccc(C3CC3)c2)c2ccccc21 ZINC000643292237 1129436273 /nfs/dbraw/zinc/43/62/73/1129436273.db2.gz UAWYUWCWXHACTR-UHFFFAOYSA-N 0 1 291.398 3.741 20 0 CHADMN CCSCCSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000741471165 1129437356 /nfs/dbraw/zinc/43/73/56/1129437356.db2.gz OPQQNGSRGLKHDP-VOTSOKGWSA-N 0 1 295.433 3.722 20 0 CHADMN CCSCCSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000741471163 1129437402 /nfs/dbraw/zinc/43/74/02/1129437402.db2.gz OPQQNGSRGLKHDP-SREVYHEPSA-N 0 1 295.433 3.722 20 0 CHADMN CCOc1cc(CN2CC(C3CC3)C2)ccc1OC(F)F ZINC000643345630 1129439138 /nfs/dbraw/zinc/43/91/38/1129439138.db2.gz CMCOPLAVXYZTCQ-UHFFFAOYSA-N 0 1 297.345 3.529 20 0 CHADMN Cn1ncc2ccc(CNCc3cscc3Cl)cc21 ZINC000643336771 1129439451 /nfs/dbraw/zinc/43/94/51/1129439451.db2.gz LOKWRLSZNIXPCS-UHFFFAOYSA-N 0 1 291.807 3.578 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094525601 1129446859 /nfs/dbraw/zinc/44/68/59/1129446859.db2.gz KWUYLDDFKUWKLE-GOSISDBHSA-N 0 1 287.403 3.641 20 0 CHADMN CC(C)n1cncc1CN[C@H]1CSCc2ccccc21 ZINC000643752699 1129449103 /nfs/dbraw/zinc/44/91/03/1129449103.db2.gz SMXSGLDIOKGNMR-INIZCTEOSA-N 0 1 287.432 3.542 20 0 CHADMN COc1ccc(-c2nc3cccc(C)c3[nH]2)cc1C ZINC000643819144 1129450469 /nfs/dbraw/zinc/45/04/69/1129450469.db2.gz IHJDGWPRCIQMHB-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN CC[C@H](CC(F)(F)F)[NH2+]Cc1cccc([O-])c1Cl ZINC000645171709 1129490432 /nfs/dbraw/zinc/49/04/32/1129490432.db2.gz BJTFEXWTRNUFFI-SECBINFHSA-N 0 1 281.705 3.866 20 0 CHADMN CC[C@H](CC(F)(F)F)NCc1cccc(O)c1Cl ZINC000645171709 1129490434 /nfs/dbraw/zinc/49/04/34/1129490434.db2.gz BJTFEXWTRNUFFI-SECBINFHSA-N 0 1 281.705 3.866 20 0 CHADMN CCCCC[C@H](NCc1oncc1C(=O)OC)C(C)(C)C ZINC000795983773 1129461504 /nfs/dbraw/zinc/46/15/04/1129461504.db2.gz IAKAYOKMSWCJBA-AWEZNQCLSA-N 0 1 296.411 3.546 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@@H]1CCSc2ccc(F)cc21 ZINC000180279287 1129466483 /nfs/dbraw/zinc/46/64/83/1129466483.db2.gz VKZVJCQAZYGBSI-YMTOWFKASA-N 0 1 291.395 3.745 20 0 CHADMN CC(C)O[C@@H](CN1CC2(C1)CC(F)(F)C2)c1ccccc1 ZINC000644679991 1129474312 /nfs/dbraw/zinc/47/43/12/1129474312.db2.gz HAGBHLUVYUBMCI-HNNXBMFYSA-N 0 1 295.373 3.884 20 0 CHADMN Fc1ccc2oc(CN3CCC(C4CC4)CC3)nc2c1 ZINC000644718727 1129476408 /nfs/dbraw/zinc/47/64/08/1129476408.db2.gz BCQHLXVABHIILE-UHFFFAOYSA-N 0 1 274.339 3.589 20 0 CHADMN C[C@H](c1nnc(-c2ccccc2)o1)N1CCC(C2CC2)CC1 ZINC000644718685 1129476613 /nfs/dbraw/zinc/47/66/13/1129476613.db2.gz KMMZLPMXBHLXJL-CYBMUJFWSA-N 0 1 297.402 3.920 20 0 CHADMN Fc1ccc(CN2CCC(C3CC3)CC2)c(F)c1 ZINC000644719382 1129476694 /nfs/dbraw/zinc/47/66/94/1129476694.db2.gz UEUXKSNKSYZMCI-UHFFFAOYSA-N 0 1 251.320 3.587 20 0 CHADMN c1c(CN2CCC(C3CC3)CC2)noc1-c1ccccc1 ZINC000644720353 1129477512 /nfs/dbraw/zinc/47/75/12/1129477512.db2.gz YGBRRPHIKFKPLF-UHFFFAOYSA-N 0 1 282.387 3.964 20 0 CHADMN Cc1ccc2nc(SCCCCCCCO)[nH]c2c1 ZINC000742447306 1129478803 /nfs/dbraw/zinc/47/88/03/1129478803.db2.gz GCTVSHRGZCBPQU-UHFFFAOYSA-N 0 1 278.421 3.906 20 0 CHADMN C[C@@H]1C[C@@H](CC[NH2+]Cc2cccc([O-])c2Cl)C[C@H](C)O1 ZINC000645178624 1129490100 /nfs/dbraw/zinc/49/01/00/1129490100.db2.gz JKMBPEKYMOQAPX-CLLJXQQHSA-N 0 1 297.826 3.729 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1oc2ccccc2c1C ZINC000180547587 1129490575 /nfs/dbraw/zinc/49/05/75/1129490575.db2.gz MHTNWSFOFFASIN-LLVKDONJSA-N 0 1 269.348 3.624 20 0 CHADMN CCCCC[C@H](CCC)N1CC2(C1)CC(F)(F)CO2 ZINC001258674367 1129491035 /nfs/dbraw/zinc/49/10/35/1129491035.db2.gz WDSGWUPYTQQJKZ-ZDUSSCGKSA-N 0 1 275.383 3.845 20 0 CHADMN c1cc2cnccc2c(CNc2cc3c(cn2)CCC3)c1 ZINC000645212533 1129491522 /nfs/dbraw/zinc/49/15/22/1129491522.db2.gz MIFOIUBHCNDYDP-UHFFFAOYSA-N 0 1 275.355 3.731 20 0 CHADMN c1ccc2c(c1)n[nH]c2CNc1ccc([C@H]2CCOC2)cc1 ZINC000645211308 1129491850 /nfs/dbraw/zinc/49/18/50/1129491850.db2.gz JCJWCUAHLKIPMV-AWEZNQCLSA-N 0 1 293.370 3.679 20 0 CHADMN CC(C)CCN1Cc2cccc(NC(=O)/C=C\C3CC3)c2C1 ZINC000742632158 1129492027 /nfs/dbraw/zinc/49/20/27/1129492027.db2.gz XARTXCHICODCMA-HJWRWDBZSA-N 0 1 298.430 3.953 20 0 CHADMN C[C@H]1CN(Cc2ccc(F)c(Br)c2)C2(CC2)C1 ZINC001137559513 1131377780 /nfs/dbraw/zinc/37/77/80/1131377780.db2.gz XEXAZMXJMSGWGF-SNVBAGLBSA-N 0 1 298.199 3.963 20 0 CHADMN CCCCCC[C@@](C)(CC)C(=O)NCc1cc(CC)[nH]n1 ZINC000742665495 1129493452 /nfs/dbraw/zinc/49/34/52/1129493452.db2.gz CHFSUXTZINDMBT-QGZVFWFLSA-N 0 1 293.455 3.975 20 0 CHADMN CN(Cc1ccc(Br)o1)CC1=CCCC1 ZINC000645770952 1129505613 /nfs/dbraw/zinc/50/56/13/1129505613.db2.gz VYMRQQLREOUTIZ-UHFFFAOYSA-N 0 1 270.170 3.584 20 0 CHADMN Cc1cncc(CNC2(c3cccc(F)c3)CCC2)c1 ZINC000646002172 1129517020 /nfs/dbraw/zinc/51/70/20/1129517020.db2.gz SHQNUESSLSMQDY-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN CCc1ccc(CN(Cc2ccc(C)nc2)CC2CC2)nc1 ZINC000646020333 1129517207 /nfs/dbraw/zinc/51/72/07/1129517207.db2.gz VDVTZMCASFUXGI-UHFFFAOYSA-N 0 1 295.430 3.760 20 0 CHADMN CCC1CCC(N(Cn2cc[nH]c2=S)C2CC2)CC1 ZINC000743354845 1129520468 /nfs/dbraw/zinc/52/04/68/1129520468.db2.gz WOJYEHOVKKBUQH-UHFFFAOYSA-N 0 1 279.453 3.563 20 0 CHADMN Cc1sccc1CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000646090972 1129521243 /nfs/dbraw/zinc/52/12/43/1129521243.db2.gz ZTBGXHLHTHYSHZ-UHFFFAOYSA-N 0 1 283.400 3.532 20 0 CHADMN C1=CCC2(CN(Cc3cccnc3)[C@@H]2c2ccccc2)C1 ZINC000646116981 1129524739 /nfs/dbraw/zinc/52/47/39/1129524739.db2.gz MCJJATSKUWPUSF-GOSISDBHSA-N 0 1 276.383 3.975 20 0 CHADMN Cc1ncc2c(n1)CCC[C@H]2N[C@H](C)c1cccc(F)c1 ZINC000743477741 1129527258 /nfs/dbraw/zinc/52/72/58/1129527258.db2.gz UWCMHLNAWDXQIU-BDJLRTHQSA-N 0 1 285.366 3.652 20 0 CHADMN CCOc1cc(Cl)ccc1CN[C@H](C)c1c[nH]nc1C ZINC000181001520 1129528315 /nfs/dbraw/zinc/52/83/15/1129528315.db2.gz UHCVUQBAWPMAIN-SNVBAGLBSA-N 0 1 293.798 3.621 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccc([O-])c1Cl ZINC000646193754 1129528477 /nfs/dbraw/zinc/52/84/77/1129528477.db2.gz DZEOYRZQIWHTQN-OCCSQVGLSA-N 0 1 297.826 3.561 20 0 CHADMN c1ccc(C2CC2)c(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000646295988 1129531515 /nfs/dbraw/zinc/53/15/15/1129531515.db2.gz HJEDEVDOPFJPAI-OALUTQOASA-N 0 1 283.415 3.707 20 0 CHADMN CC(C)c1cccc(NC(=O)[C@@H]2C[C@H](C)Cc3cn[nH]c32)c1 ZINC000646609366 1129540408 /nfs/dbraw/zinc/54/04/08/1129540408.db2.gz MEEFTICMSFEADA-MLGOLLRUSA-N 0 1 297.402 3.838 20 0 CHADMN CC(C)C[C@H](N)c1noc(/C=C/c2cccc(Cl)c2)n1 ZINC000647130401 1129550985 /nfs/dbraw/zinc/55/09/85/1129550985.db2.gz YIHRILJOXHJSMT-YBJDMEARSA-N 0 1 291.782 3.939 20 0 CHADMN Cc1ccc2c(-c3nc([C@@H]4CCCN4)no3)csc2c1 ZINC000647146165 1129551888 /nfs/dbraw/zinc/55/18/88/1129551888.db2.gz OGFGUDYIFCEHJK-LBPRGKRZSA-N 0 1 285.372 3.684 20 0 CHADMN CCCCc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1 ZINC000647153711 1129552752 /nfs/dbraw/zinc/55/27/52/1129552752.db2.gz HISGHVYYMGVMHL-AWEZNQCLSA-N 0 1 271.364 3.504 20 0 CHADMN CC(C)Sc1ccccc1-c1nc([C@H]2CCCN2)no1 ZINC000647154744 1129553002 /nfs/dbraw/zinc/55/30/02/1129553002.db2.gz JAEDWDOMWQRQKW-GFCCVEGCSA-N 0 1 289.404 3.662 20 0 CHADMN COc1ncncc1CN[C@H](c1ccccc1C)C(C)(C)C ZINC000647189947 1129555883 /nfs/dbraw/zinc/55/58/83/1129555883.db2.gz ABIZSYQTZLCZSA-MRXNPFEDSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1cccc(-n2ccn(CN(C)CC(C)C)c2=S)c1 ZINC000744152017 1129556135 /nfs/dbraw/zinc/55/61/35/1129556135.db2.gz UJMONRSCWWSYBF-UHFFFAOYSA-N 0 1 289.448 3.862 20 0 CHADMN COc1ccccc1C1(NCc2ccc(C)c(F)c2)CC1 ZINC000647232778 1129559004 /nfs/dbraw/zinc/55/90/04/1129559004.db2.gz BYRBQSIIFDHIQR-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN Cc1cccc(CN[C@H](CC(C)C)c2ccncc2)n1 ZINC000647284059 1129563061 /nfs/dbraw/zinc/56/30/61/1129563061.db2.gz ZSJSOEPDTMUABE-QGZVFWFLSA-N 0 1 269.392 3.662 20 0 CHADMN Cc1occc1CN[C@H](CC(C)C)c1ccncc1 ZINC000647285460 1129563879 /nfs/dbraw/zinc/56/38/79/1129563879.db2.gz DRNDEPRNVDHCST-MRXNPFEDSA-N 0 1 258.365 3.860 20 0 CHADMN CC[C@H](NC1(c2cccc(C)c2)CCC1)c1ccn(C)n1 ZINC000647332768 1129570645 /nfs/dbraw/zinc/57/06/45/1129570645.db2.gz DMUQGDOGEMXESC-INIZCTEOSA-N 0 1 283.419 3.849 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccccc1F)c1ccccc1 ZINC000647344868 1129571788 /nfs/dbraw/zinc/57/17/88/1129571788.db2.gz AMEOIGJQGMHFMA-DYVFJYSZSA-N 0 1 273.351 3.600 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](CCO)c1ccccc1F)CC2 ZINC000647345922 1129572598 /nfs/dbraw/zinc/57/25/98/1129572598.db2.gz PFULPZZRNUFZKS-RTBURBONSA-N 0 1 299.389 3.835 20 0 CHADMN OCC[C@H](N[C@H]1CCc2ccccc21)c1ccccc1F ZINC000647346573 1129572646 /nfs/dbraw/zinc/57/26/46/1129572646.db2.gz XWBHUFLTQINVNL-ROUUACIJSA-N 0 1 285.362 3.526 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](CCO)c2ccccc2F)cc1 ZINC000647345355 1129572734 /nfs/dbraw/zinc/57/27/34/1129572734.db2.gz IDCIVSYDRWGMOZ-KSSFIOAISA-N 0 1 287.378 3.908 20 0 CHADMN O=C(CN1CCC2(CCCC2)C1)Nc1ccc(Cl)cc1 ZINC000744420753 1129576448 /nfs/dbraw/zinc/57/64/48/1129576448.db2.gz RBFVLOOFFWMTCI-UHFFFAOYSA-N 0 1 292.810 3.545 20 0 CHADMN CCCOC(=O)[C@H](C)N1CCC[C@@H](c2ccccc2)CC1 ZINC000303949878 1129581556 /nfs/dbraw/zinc/58/15/56/1129581556.db2.gz VKABPNFBHPVBNP-DOTOQJQBSA-N 0 1 289.419 3.598 20 0 CHADMN CC[C@@H]1CN(Cc2coc(C)n2)CC[C@@H]1c1ccccc1 ZINC000647965934 1129590163 /nfs/dbraw/zinc/59/01/63/1129590163.db2.gz VNMPKRGPVKUXPV-QAPCUYQASA-N 0 1 284.403 3.999 20 0 CHADMN C[C@@H](NCc1ccc(Cl)cn1)c1ccccc1N(C)C ZINC000182129021 1129597286 /nfs/dbraw/zinc/59/72/86/1129597286.db2.gz RPHNVKITNFROEM-GFCCVEGCSA-N 0 1 289.810 3.652 20 0 CHADMN C[C@@H](N[C@H]1CSCc2ccccc21)c1cccnc1 ZINC000037229110 1129597708 /nfs/dbraw/zinc/59/77/08/1129597708.db2.gz BMSIXXQCXZKSNU-WBMJQRKESA-N 0 1 270.401 3.720 20 0 CHADMN Cc1nc2cc(Nc3cccc(-n4ccnc4)c3)ccc2[nH]1 ZINC001213073148 1129599757 /nfs/dbraw/zinc/59/97/57/1129599757.db2.gz GQQYDJBKTNMSEP-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc2ccccc2c1)c1nccn1C ZINC000182196186 1129600426 /nfs/dbraw/zinc/60/04/26/1129600426.db2.gz SLEHNJWOOCXRME-KBPBESRZSA-N 0 1 279.387 3.985 20 0 CHADMN Cc1[nH]nc2ccc(-c3ccc(C(F)F)cn3)cc12 ZINC001241670561 1129601736 /nfs/dbraw/zinc/60/17/36/1129601736.db2.gz KRCMDLJBAMFHOH-UHFFFAOYSA-N 0 1 259.259 3.871 20 0 CHADMN COc1c(F)c(F)ccc1-c1ccc2nc[nH]c2c1 ZINC001241705122 1129604682 /nfs/dbraw/zinc/60/46/82/1129604682.db2.gz RESKRXZZEGEXHS-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN C[C@H](N[C@@H](CCO)c1cccs1)c1ccc(F)c(F)c1 ZINC000746049968 1129623378 /nfs/dbraw/zinc/62/33/78/1129623378.db2.gz ZGKXZZXXQFAOSZ-HZMBPMFUSA-N 0 1 297.370 3.801 20 0 CHADMN CO[C@H](CN[C@H](C)c1ccc(SC)cc1)C(F)(F)F ZINC000746046602 1129623480 /nfs/dbraw/zinc/62/34/80/1129623480.db2.gz BQIREBXSALEYMX-BXKDBHETSA-N 0 1 293.354 3.636 20 0 CHADMN C[C@H](NCc1nc(C2CC2)no1)[C@@H](C)C1CCCCC1 ZINC000185501647 1129632918 /nfs/dbraw/zinc/63/29/18/1129632918.db2.gz QAYYSLDROCAUCI-NEPJUHHUSA-N 0 1 277.412 3.642 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H]1CCc2ccc(F)cc21 ZINC000187101285 1129635399 /nfs/dbraw/zinc/63/53/99/1129635399.db2.gz ILPUVRSRXKQRAW-MEDUHNTESA-N 0 1 286.350 3.567 20 0 CHADMN CC(C)[C@@H](N[C@H]1CCC12CCCC2)c1nc(C2CC2)no1 ZINC000189165867 1129638304 /nfs/dbraw/zinc/63/83/04/1129638304.db2.gz VGMZISANBVKLQS-UONOGXRCSA-N 0 1 289.423 3.957 20 0 CHADMN CCCc1ccc(CN[C@@H](C)c2ccncc2OC)cc1 ZINC000189553499 1129639198 /nfs/dbraw/zinc/63/91/98/1129639198.db2.gz CUBCCRHXUODWIO-AWEZNQCLSA-N 0 1 284.403 3.894 20 0 CHADMN CC(=O)c1cccc(CN2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000649363872 1129642526 /nfs/dbraw/zinc/64/25/26/1129642526.db2.gz FZSSVMCWRBXKRB-IBGZPJMESA-N 0 1 295.382 3.932 20 0 CHADMN CCCC[C@@H]([NH2+][C@@H](C)c1nc(C)cc(=O)[n-]1)C1CCC1 ZINC000192777850 1129643868 /nfs/dbraw/zinc/64/38/68/1129643868.db2.gz UQMTXCCHGICCSV-GXTWGEPZSA-N 0 1 277.412 3.500 20 0 CHADMN COc1ccc(-c2ccc(CN(C)C)c(F)c2)cc1OC ZINC000649438207 1129648400 /nfs/dbraw/zinc/64/84/00/1129648400.db2.gz YQJLASWZWRUEMR-UHFFFAOYSA-N 0 1 289.350 3.572 20 0 CHADMN CC(C)[C@H](O)Cc1ccccc1-c1cc(C(F)(F)F)n[nH]1 ZINC000649444204 1129650615 /nfs/dbraw/zinc/65/06/15/1129650615.db2.gz HZQFKOINPXLKFG-CYBMUJFWSA-N 0 1 298.308 3.655 20 0 CHADMN C[C@@H]1CN(Cc2ccc3c(c2)OCCO3)Cc2ccccc21 ZINC000746385817 1129653685 /nfs/dbraw/zinc/65/36/85/1129653685.db2.gz BIOBYCCVESGBFV-CQSZACIVSA-N 0 1 295.382 3.577 20 0 CHADMN Cc1nc([C@@H](C)N[C@H]2CC23CCCC3)c(C)s1 ZINC000387052656 1129654206 /nfs/dbraw/zinc/65/42/06/1129654206.db2.gz UCRGQRXIXLMURF-SKDRFNHKSA-N 0 1 250.411 3.743 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(Cl)cc2)c(C)nn1 ZINC000720545344 1129654330 /nfs/dbraw/zinc/65/43/30/1129654330.db2.gz LXRABFDGKBZMPU-LLVKDONJSA-N 0 1 275.783 3.598 20 0 CHADMN Cc1ccccc1C1CCN(Cc2cc3n(n2)CCC3)CC1 ZINC000649521590 1129655298 /nfs/dbraw/zinc/65/52/98/1129655298.db2.gz WJZLRBLZKYPNJK-UHFFFAOYSA-N 0 1 295.430 3.517 20 0 CHADMN CC(C)[C@H](c1ccccc1)N(C)Cc1cc2n(n1)CCC2 ZINC000649529973 1129656046 /nfs/dbraw/zinc/65/60/46/1129656046.db2.gz FTAOPNPIKIYUIN-GOSISDBHSA-N 0 1 283.419 3.658 20 0 CHADMN Cc1nc(C)c(CN[C@@H](c2ccccc2)C(C)C)o1 ZINC000389292564 1129656724 /nfs/dbraw/zinc/65/67/24/1129656724.db2.gz NYEKBDOLFIRYIO-MRXNPFEDSA-N 0 1 258.365 3.778 20 0 CHADMN CC(C)(C)[C@H](NCc1cc2n(n1)CCC2)c1ccccc1 ZINC000649554670 1129657826 /nfs/dbraw/zinc/65/78/26/1129657826.db2.gz JAELFYXADSGIQQ-QGZVFWFLSA-N 0 1 283.419 3.706 20 0 CHADMN Cc1cscc1CN[C@@H](C)c1cnc(C)s1 ZINC000390605682 1129658414 /nfs/dbraw/zinc/65/84/14/1129658414.db2.gz CQEYCRQZDIKSOG-VIFPVBQESA-N 0 1 252.408 3.672 20 0 CHADMN Cc1ccccc1[C@H](NCc1cc2n(n1)CCC2)C(C)C ZINC000649575590 1129659137 /nfs/dbraw/zinc/65/91/37/1129659137.db2.gz VHRVLGQLLVHARW-GOSISDBHSA-N 0 1 283.419 3.625 20 0 CHADMN c1c(CN[C@@H](CC2CCC2)c2ccccc2)nn2c1CCC2 ZINC000649578125 1129660106 /nfs/dbraw/zinc/66/01/06/1129660106.db2.gz IGKZDOKHXOUZOI-IBGZPJMESA-N 0 1 295.430 3.850 20 0 CHADMN CC(C)Oc1ccnc(CN2CCC=C(c3ccco3)C2)c1 ZINC000649609252 1129662457 /nfs/dbraw/zinc/66/24/57/1129662457.db2.gz CXPOGMIJBDZALC-UHFFFAOYSA-N 0 1 298.386 3.751 20 0 CHADMN COc1cc(C)nc(CNC2(c3ccccc3C)CCC2)c1 ZINC000649644825 1129665831 /nfs/dbraw/zinc/66/58/31/1129665831.db2.gz UHNIRZAEDOCNDN-UHFFFAOYSA-N 0 1 296.414 3.876 20 0 CHADMN FC(F)Oc1ccccc1CN1CCC12CCCC2 ZINC000649655973 1129666214 /nfs/dbraw/zinc/66/62/14/1129666214.db2.gz XHUHDHFUUNRLAO-UHFFFAOYSA-N 0 1 267.319 3.807 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2CCC23CCCC3)c(C)c1 ZINC000649657065 1129666394 /nfs/dbraw/zinc/66/63/94/1129666394.db2.gz LLELJZCQVCFCRO-UHFFFAOYSA-N 0 1 286.419 3.569 20 0 CHADMN Cc1nc2cc(Nc3ccc4ocnc4c3)ccc2[nH]1 ZINC001213073329 1129668953 /nfs/dbraw/zinc/66/89/53/1129668953.db2.gz MYJHQQRDEUAEJB-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN COc1ccc(CN2CCC[C@H](OC(C)C)C2)cc1Cl ZINC000649703096 1129671933 /nfs/dbraw/zinc/67/19/33/1129671933.db2.gz UFMYNNKGHUCSNN-AWEZNQCLSA-N 0 1 297.826 3.738 20 0 CHADMN CC(C)O[C@H]1CCCN([C@H](C)c2nc3ccccc3o2)C1 ZINC000649702725 1129672009 /nfs/dbraw/zinc/67/20/09/1129672009.db2.gz LRXYGCSQSHMMFM-KGLIPLIRSA-N 0 1 288.391 3.778 20 0 CHADMN CC[C@@H]1CN(CCCCC(F)(F)F)[C@@H](CC)CO1 ZINC000649718755 1129673009 /nfs/dbraw/zinc/67/30/09/1129673009.db2.gz FYIQCWPEAARVTI-NWDGAFQWSA-N 0 1 267.335 3.608 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3ncccc3c2)[C@H](CC)CO1 ZINC000649719931 1129672889 /nfs/dbraw/zinc/67/28/89/1129672889.db2.gz ZPEKNGZTNREYAA-IAGOWNOFSA-N 0 1 284.403 3.624 20 0 CHADMN CC[C@H](NCC(=O)N(C(C)C)C(C)C)c1ccccc1F ZINC000649738642 1129673919 /nfs/dbraw/zinc/67/39/19/1129673919.db2.gz PNBRLLOTEBEBMJ-INIZCTEOSA-N 0 1 294.414 3.512 20 0 CHADMN CC[C@H](NCc1ccnn1C(C)C)c1ccccc1F ZINC000649740571 1129674670 /nfs/dbraw/zinc/67/46/70/1129674670.db2.gz FVZOMOOPWSOLEM-INIZCTEOSA-N 0 1 275.371 3.844 20 0 CHADMN Cc1ccc([C@@H](C)Nc2cc3nc[nH]c3cc2F)nc1 ZINC001168861415 1129678005 /nfs/dbraw/zinc/67/80/05/1129678005.db2.gz VYVBLXZUGAUWDA-SNVBAGLBSA-N 0 1 270.311 3.579 20 0 CHADMN C[C@@H](CO)C1CCN([C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000649803870 1129678401 /nfs/dbraw/zinc/67/84/01/1129678401.db2.gz RNFLHFRPPIIZKB-RYUDHWBXSA-N 0 1 299.817 3.881 20 0 CHADMN CC[C@]1(C)COCCN1CCSc1cccc(Cl)c1 ZINC001168848844 1129679416 /nfs/dbraw/zinc/67/94/16/1129679416.db2.gz RXFVPDCGSVOYJB-OAHLLOKOSA-N 0 1 299.867 3.933 20 0 CHADMN C[C@H]1CN(Cc2ccc(C(F)F)cc2)C2(CCC2)CO1 ZINC000649822679 1129679743 /nfs/dbraw/zinc/67/97/43/1129679743.db2.gz MVZJDNIOCODOIH-LBPRGKRZSA-N 0 1 281.346 3.768 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CCc3ccccc3[C@H](C)C2)n1 ZINC000649833114 1129680445 /nfs/dbraw/zinc/68/04/45/1129680445.db2.gz FLFFDCIJGFRBQG-ZIAGYGMSSA-N 0 1 299.418 3.916 20 0 CHADMN CC(C)n1ccnc1CN1CCc2ccccc2[C@H](C)C1 ZINC000649834987 1129681528 /nfs/dbraw/zinc/68/15/28/1129681528.db2.gz WLNBIDUOPPBNIB-OAHLLOKOSA-N 0 1 283.419 3.626 20 0 CHADMN CSc1nc2ccnc(-c3ccc(F)cc3O)c2s1 ZINC001242216423 1129683024 /nfs/dbraw/zinc/68/30/24/1129683024.db2.gz UABRJFBDMJQDHN-UHFFFAOYSA-N 0 1 292.360 3.925 20 0 CHADMN COc1ccc2cc(-c3ccc(F)cc3O)ncc2c1 ZINC001242216720 1129683624 /nfs/dbraw/zinc/68/36/24/1129683624.db2.gz YCEMBIQZAXQMNX-UHFFFAOYSA-N 0 1 269.275 3.755 20 0 CHADMN FC(F)(F)c1cccc(CN2CC[C@]3(CC3(F)F)C2)c1 ZINC000649901776 1129684500 /nfs/dbraw/zinc/68/45/00/1129684500.db2.gz RAQUHSBBMATXFI-LBPRGKRZSA-N 0 1 291.263 3.937 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CC[C@@]2(CC2(F)F)C1 ZINC000649903727 1129685470 /nfs/dbraw/zinc/68/54/70/1129685470.db2.gz VBZMJYJCSRDHMH-TVQRCGJNSA-N 0 1 273.273 3.757 20 0 CHADMN Cc1cnc(CN)n1-c1ccc(-c2ccc(C)cc2)cc1 ZINC001169028518 1129689727 /nfs/dbraw/zinc/68/97/27/1129689727.db2.gz JTWPNQCZSBQTDK-UHFFFAOYSA-N 0 1 277.371 3.615 20 0 CHADMN Cc1nc2ccc(NC(C)(C)CC(C)(C)C)nc2[nH]1 ZINC001169052841 1129692779 /nfs/dbraw/zinc/69/27/79/1129692779.db2.gz PHNNUSPXDSPEQR-UHFFFAOYSA-N 0 1 260.385 3.893 20 0 CHADMN CC(C)COc1ccc(CN2C[C@@H](F)C[C@H]2C)cc1 ZINC001138969627 1129702348 /nfs/dbraw/zinc/70/23/48/1129702348.db2.gz QXKYYNSKOOJAIO-HIFRSBDPSA-N 0 1 265.372 3.654 20 0 CHADMN CC(C)N(Cc1noc2c1CCCC2)C1CC(C)(C)C1 ZINC000650345290 1129706022 /nfs/dbraw/zinc/70/60/22/1129706022.db2.gz OTZIZJMGTASHCX-UHFFFAOYSA-N 0 1 276.424 3.952 20 0 CHADMN Fc1cc(CN2CCC3(CCCO3)CC2)ccc1Cl ZINC001137653340 1131392183 /nfs/dbraw/zinc/39/21/83/1131392183.db2.gz KCYJDXGDTIPHKS-UHFFFAOYSA-N 0 1 283.774 3.624 20 0 CHADMN FC(F)Oc1ccnc(N[C@@H]2CCCC(F)(F)C2)c1 ZINC001169219177 1129710098 /nfs/dbraw/zinc/71/00/98/1129710098.db2.gz OMFNJCJNABGBNB-MRVPVSSYSA-N 0 1 278.249 3.673 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000650502904 1129711613 /nfs/dbraw/zinc/71/16/13/1129711613.db2.gz ACAWHVNODKNJLF-RDTXWAMCSA-N 0 1 295.382 3.791 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CC1CCC(C(C)(C)C)CC1 ZINC000650502387 1129711838 /nfs/dbraw/zinc/71/18/38/1129711838.db2.gz YEWKACNEEPANGT-XSCHDIRWSA-N 0 1 281.440 3.776 20 0 CHADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)c(F)c1 ZINC001137654506 1131392460 /nfs/dbraw/zinc/39/24/60/1131392460.db2.gz VFWQFIHTXOGORJ-FUNVUKJBSA-N 0 1 283.774 3.621 20 0 CHADMN CC[C@]1(C)C[N@H+]([C@@H](C)c2ccc3c(c2)CCC3)CCO1 ZINC001169342387 1129719308 /nfs/dbraw/zinc/71/93/08/1129719308.db2.gz LVYJAHFAMZTBLN-KBXCAEBGSA-N 0 1 273.420 3.737 20 0 CHADMN CC[C@]1(C)CN([C@@H](C)c2ccc3c(c2)CCC3)CCO1 ZINC001169342387 1129719309 /nfs/dbraw/zinc/71/93/09/1129719309.db2.gz LVYJAHFAMZTBLN-KBXCAEBGSA-N 0 1 273.420 3.737 20 0 CHADMN Cc1cc(N[C@H]2C[C@H](C)c3ccccc32)nc2[nH]cnc21 ZINC001169367044 1129720667 /nfs/dbraw/zinc/72/06/67/1129720667.db2.gz RITKTTCYLSGLOY-HZMBPMFUSA-N 0 1 278.359 3.927 20 0 CHADMN C[C@@H](NCC[C@@H]1CCc2ccccc2N1)c1cscn1 ZINC000650759540 1129721791 /nfs/dbraw/zinc/72/17/91/1129721791.db2.gz LPZDMTXPRRARDB-OCCSQVGLSA-N 0 1 287.432 3.611 20 0 CHADMN CCC(N)=NOCc1ccc(-c2ccsc2)cc1 ZINC000766691373 1129725498 /nfs/dbraw/zinc/72/54/98/1129725498.db2.gz LJQVCAWZWFPKLW-UHFFFAOYSA-N 0 1 260.362 3.824 20 0 CHADMN Cc1cc(C)c2c(c1)CN(Cc1ccnc(C)c1)CC2 ZINC001169421150 1129726049 /nfs/dbraw/zinc/72/60/49/1129726049.db2.gz YGHQGLZJBVDIHO-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN Fc1cc(Cl)ccc1CN1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001137656499 1131393761 /nfs/dbraw/zinc/39/37/61/1131393761.db2.gz HODOPTNCRLSCLT-PHIMTYICSA-N 0 1 289.728 3.956 20 0 CHADMN Cc1cc(CN2CCCCC[C@@H]2C)cnc1Br ZINC001169463498 1129730069 /nfs/dbraw/zinc/73/00/69/1129730069.db2.gz WKMXZRHWPYPPJK-LBPRGKRZSA-N 0 1 297.240 3.917 20 0 CHADMN CCc1nnc(SCCO[C@H](CC)c2ccccc2)[nH]1 ZINC000651186501 1129732203 /nfs/dbraw/zinc/73/22/03/1129732203.db2.gz VPOGFRFXMRSYFJ-CYBMUJFWSA-N 0 1 291.420 3.627 20 0 CHADMN CCc1n[nH]c(SCCO[C@H](CC)c2ccccc2)n1 ZINC000651186501 1129732205 /nfs/dbraw/zinc/73/22/05/1129732205.db2.gz VPOGFRFXMRSYFJ-CYBMUJFWSA-N 0 1 291.420 3.627 20 0 CHADMN C/C(=C\C=C\N)NC1(c2ccccc2C(F)(F)F)CC1 ZINC001169636999 1129742835 /nfs/dbraw/zinc/74/28/35/1129742835.db2.gz PZHXYQSUZTVDMM-ZVSIBQGLSA-N 0 1 282.309 3.660 20 0 CHADMN COc1cc(OC)c(CNCc2sccc2C)cc1F ZINC000651691945 1129744381 /nfs/dbraw/zinc/74/43/81/1129744381.db2.gz MWNMOCTULQGDIL-UHFFFAOYSA-N 0 1 295.379 3.503 20 0 CHADMN Cc1cccc2c1OCC[C@H]2NCc1cc2cnccc2o1 ZINC000651783683 1129747992 /nfs/dbraw/zinc/74/79/92/1129747992.db2.gz MILASSRGUKSZPT-MRXNPFEDSA-N 0 1 294.354 3.750 20 0 CHADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1F ZINC001137661526 1131395028 /nfs/dbraw/zinc/39/50/28/1131395028.db2.gz XIPDHYZAFSTGKY-PBWFPOADSA-N 0 1 283.774 3.621 20 0 CHADMN Fc1ccc2c(c1Cl)[C@H](NCCOC(F)(F)F)CC2 ZINC000651783888 1129748089 /nfs/dbraw/zinc/74/80/89/1129748089.db2.gz UNCBGSGAGMIXDM-SECBINFHSA-N 0 1 297.679 3.592 20 0 CHADMN CC[C@@H]1COC(C)(C)CN1Cc1cc2ccccc2[nH]1 ZINC000651912002 1129751244 /nfs/dbraw/zinc/75/12/44/1129751244.db2.gz HIQIPBCEXAJMBC-OAHLLOKOSA-N 0 1 272.392 3.557 20 0 CHADMN Cc1cc(CN2C[C@H](C)OCC23CCC3)cc2cccnc12 ZINC000651974458 1129754710 /nfs/dbraw/zinc/75/47/10/1129754710.db2.gz FMOOTOKXNQECOK-HNNXBMFYSA-N 0 1 296.414 3.687 20 0 CHADMN FC1(F)C[C@]12CC[N@@H+](Cc1cc3cc(Cl)cnc3o1)C2 ZINC000652064510 1129757171 /nfs/dbraw/zinc/75/71/71/1129757171.db2.gz QGZWMABCJDMXRS-ZDUSSCGKSA-N 0 1 298.720 3.712 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CCC[C@H](C)C1 ZINC001139006755 1129759790 /nfs/dbraw/zinc/75/97/90/1129759790.db2.gz XUJUBGMPOVYPDM-LBPRGKRZSA-N 0 1 267.800 3.971 20 0 CHADMN Cc1ccccc1C1(N[C@@H](C)c2nccnc2C)CCC1 ZINC000652216792 1129760036 /nfs/dbraw/zinc/76/00/36/1129760036.db2.gz GNWXENPAKCANCE-HNNXBMFYSA-N 0 1 281.403 3.823 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CCC(COC)CC1 ZINC001139006523 1129760301 /nfs/dbraw/zinc/76/03/01/1129760301.db2.gz VSIRIZPZNXACKQ-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN C[C@@H]1CC[C@]2(CC[N@@H+](Cc3ccc(C(=O)[O-])cc3F)C2)C1 ZINC000652442963 1129764873 /nfs/dbraw/zinc/76/48/73/1129764873.db2.gz CRGPAIOAVAITMI-PXAZEXFGSA-N 0 1 291.366 3.536 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000652488053 1129765808 /nfs/dbraw/zinc/76/58/08/1129765808.db2.gz CWRIWPALZDHROW-AWEZNQCLSA-N 0 1 289.419 3.959 20 0 CHADMN CC/C=C/CCN(C)Cc1ccn(-c2ccccc2)n1 ZINC000767298092 1129785036 /nfs/dbraw/zinc/78/50/36/1129785036.db2.gz WWNZFCFXYYEHOE-SNAWJCMRSA-N 0 1 269.392 3.660 20 0 CHADMN COc1ccc(C(C)C)cc1CN[C@H](CO)c1ccccc1 ZINC000653599310 1129787261 /nfs/dbraw/zinc/78/72/61/1129787261.db2.gz HZIOBVIXVXZLDT-GOSISDBHSA-N 0 1 299.414 3.642 20 0 CHADMN Cc1cc(CN[C@H]2CSCc3ccccc32)c(C)o1 ZINC000767348991 1129787391 /nfs/dbraw/zinc/78/73/91/1129787391.db2.gz MICJMXRYEPGJOG-INIZCTEOSA-N 0 1 273.401 3.974 20 0 CHADMN Cc1nc2ccc(CSc3nccn3C3CC3)cc2[nH]1 ZINC000767387588 1129792028 /nfs/dbraw/zinc/79/20/28/1129792028.db2.gz JQZSFBDQEWYDPX-UHFFFAOYSA-N 0 1 284.388 3.695 20 0 CHADMN FC(F)(F)C1=CCN(CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822780790 1131398128 /nfs/dbraw/zinc/39/81/28/1131398128.db2.gz VBIGTGWDWDYWBB-SECBINFHSA-N 0 1 288.140 3.765 20 0 CHADMN [NH3+][C@@H]1CCc2c1cccc2-c1cccc(Cl)c1[O-] ZINC001242366064 1129797693 /nfs/dbraw/zinc/79/76/93/1129797693.db2.gz OWSXVQDNWOUBCE-CQSZACIVSA-N 0 1 259.736 3.659 20 0 CHADMN C[C@@H](c1cccnc1)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653906235 1129800896 /nfs/dbraw/zinc/80/08/96/1129800896.db2.gz QNCLLNASQCEOEP-CABCVRRESA-N 0 1 274.408 3.566 20 0 CHADMN Cc1nc(C)c(CN2C[C@H](C)OC3(CCCCC3)C2)s1 ZINC000653905676 1129801649 /nfs/dbraw/zinc/80/16/49/1129801649.db2.gz HTTDGWRMCBJSGX-LBPRGKRZSA-N 0 1 294.464 3.684 20 0 CHADMN C[C@]1(c2ccc(F)cc2)CCN(C/C=C/Cl)C1 ZINC000796608898 1129817487 /nfs/dbraw/zinc/81/74/87/1129817487.db2.gz IUAFJEJGHJIUHT-LPSTVZDBSA-N 0 1 253.748 3.542 20 0 CHADMN C[C@@H](NCc1cn(C)cn1)c1ccc(C(C)(C)C)cc1 ZINC000380399267 1129831177 /nfs/dbraw/zinc/83/11/77/1129831177.db2.gz ALTOKJKJZDOCHC-CYBMUJFWSA-N 0 1 271.408 3.568 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cscc3Cl)[nH]c2c1 ZINC001129385755 1129834507 /nfs/dbraw/zinc/83/45/07/1129834507.db2.gz PNCXHSDBHMZFDH-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN C[C@@H](O)[C@@H](C)NCc1c(Cl)ccc(Cl)c1Cl ZINC000381509448 1129840339 /nfs/dbraw/zinc/84/03/39/1129840339.db2.gz NRDYVPZNVHTLIA-RNFRBKRXSA-N 0 1 282.598 3.506 20 0 CHADMN Clc1scc(CNC[C@H]2CCC=CO2)c1Cl ZINC000381608177 1129842144 /nfs/dbraw/zinc/84/21/44/1129842144.db2.gz RBWKKIHXQBOBHD-SECBINFHSA-N 0 1 278.204 3.837 20 0 CHADMN C[C@H](CCc1ccco1)NCc1nc(C(C)(C)C)co1 ZINC000724405125 1129852954 /nfs/dbraw/zinc/85/29/54/1129852954.db2.gz VFAWJYBTWYUUBI-GFCCVEGCSA-N 0 1 276.380 3.676 20 0 CHADMN CC1(C)SC[C@@H]1NCc1ccc(CSC(F)F)o1 ZINC000393874254 1129856214 /nfs/dbraw/zinc/85/62/14/1129856214.db2.gz CWHICSFZMKUTHC-JTQLQIEISA-N 0 1 293.404 3.719 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2cccc(C)c2C)no1 ZINC000768428280 1129856126 /nfs/dbraw/zinc/85/61/26/1129856126.db2.gz GMNHAVCMXISPRB-QGZVFWFLSA-N 0 1 270.376 3.937 20 0 CHADMN CCC[C@H]1CC(=O)N(CN2CCC3(CCCCC3)CC2)C1 ZINC000743359525 1129859042 /nfs/dbraw/zinc/85/90/42/1129859042.db2.gz HTOIEBLKOKRMBE-INIZCTEOSA-N 0 1 292.467 3.639 20 0 CHADMN Cc1cnc([C@H](C)NC[C@]2(C)CC2(Cl)Cl)s1 ZINC000828852834 1131403123 /nfs/dbraw/zinc/40/31/23/1131403123.db2.gz SSWJKKLKKCSCRX-WPRPVWTQSA-N 0 1 279.236 3.686 20 0 CHADMN Cc1cc(F)cc2c1CN(Cc1ccc3c(c1)COC3)CC2 ZINC000800472639 1129875739 /nfs/dbraw/zinc/87/57/39/1129875739.db2.gz WSXXVQHEIQWQIB-UHFFFAOYSA-N 0 1 297.373 3.723 20 0 CHADMN CC(C)(C)c1nc2nc[nH]c2c(C=Cc2ccccc2)n1 ZINC001239591874 1131404301 /nfs/dbraw/zinc/40/43/01/1131404301.db2.gz SVFYQJKTINFRJB-MDZDMXLPSA-N 0 1 278.359 3.772 20 0 CHADMN CC(C)(C)C(=O)OCSc1nc2ccc(Cl)cc2[nH]1 ZINC000769278600 1129900335 /nfs/dbraw/zinc/90/03/35/1129900335.db2.gz SLNINLXFCYIAGE-UHFFFAOYSA-N 0 1 298.795 3.855 20 0 CHADMN CCc1onc(C)c1CN(C)Cc1cc(C)cc(C)c1 ZINC001170005467 1129900503 /nfs/dbraw/zinc/90/05/03/1129900503.db2.gz WVDHLFVTGJCZJE-UHFFFAOYSA-N 0 1 272.392 3.794 20 0 CHADMN Cn1nc(CN2CCC3(CCCC3)CC2)c2ccccc21 ZINC000769333107 1129902891 /nfs/dbraw/zinc/90/28/91/1129902891.db2.gz ONKIWUICMLLDOF-UHFFFAOYSA-N 0 1 283.419 3.730 20 0 CHADMN COc1ccccc1CN1CCc2c(C)cccc2C1 ZINC000769337906 1129903877 /nfs/dbraw/zinc/90/38/77/1129903877.db2.gz IPCZJSNCTAPZCK-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1c(C)cccc1C ZINC001239597425 1131407370 /nfs/dbraw/zinc/40/73/70/1131407370.db2.gz IMAQKGJBCXNAKZ-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN CC(C)(N)c1cc(-c2cccc(Cl)c2Cl)no1 ZINC000901398397 1129921198 /nfs/dbraw/zinc/92/11/98/1129921198.db2.gz AGXURKPHWBCBNS-UHFFFAOYSA-N 0 1 271.147 3.842 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(-c3ccsc3)cc2)CCN1C ZINC000769772757 1129923020 /nfs/dbraw/zinc/92/30/20/1129923020.db2.gz XSUWXDOKGGAAGR-AWEZNQCLSA-N 0 1 286.444 3.551 20 0 CHADMN CC(C)SCCN1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000801517263 1129923625 /nfs/dbraw/zinc/92/36/25/1129923625.db2.gz KWKUTICZZJFAOR-VYDXJSESSA-N 0 1 293.476 3.979 20 0 CHADMN Cc1ccc([C@H](C)C[N@@H+]2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000901469779 1129927506 /nfs/dbraw/zinc/92/75/06/1129927506.db2.gz WHUGKTOZTYRJOL-QAPCUYQASA-N 0 1 289.419 3.531 20 0 CHADMN CCCCCC[C@@H](C)NC(=O)CN[C@@H](C)c1ccsc1 ZINC000801569976 1129928138 /nfs/dbraw/zinc/92/81/38/1129928138.db2.gz HQSPOZSLWOBBMU-KGLIPLIRSA-N 0 1 296.480 3.874 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1ccc(C)c(F)c1 ZINC000769870591 1129930289 /nfs/dbraw/zinc/93/02/89/1129930289.db2.gz WMNFDBLSVNAMBN-NSHDSACASA-N 0 1 276.355 3.844 20 0 CHADMN CCCC1CCC(C[N@H+]2C[C@H]3CCC[C@@]3(C(=O)[O-])C2)CC1 ZINC000901515339 1129933090 /nfs/dbraw/zinc/93/30/90/1129933090.db2.gz AWAACBVHKZODCK-AJTLQJAISA-N 0 1 293.451 3.780 20 0 CHADMN COC(=O)/C(C)=C/CN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000746498901 1129933580 /nfs/dbraw/zinc/93/35/80/1129933580.db2.gz CRFXHQHKFURWDC-SRXBQZRASA-N 0 1 287.359 3.545 20 0 CHADMN Fc1cccc(-n2ccc(CN3CCCC34CCC4)n2)c1 ZINC000770000897 1129935234 /nfs/dbraw/zinc/93/52/34/1129935234.db2.gz LKMDMXLMVMPAJN-UHFFFAOYSA-N 0 1 285.366 3.530 20 0 CHADMN CCc1oc2ccccc2c1C[N@H+](CC(=O)[O-])CC(C)C ZINC000901590076 1129938002 /nfs/dbraw/zinc/93/80/02/1129938002.db2.gz HPWPUEYHZULGLO-UHFFFAOYSA-N 0 1 289.375 3.538 20 0 CHADMN Cc1ccc([C@H](C)C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000901589867 1129938149 /nfs/dbraw/zinc/93/81/49/1129938149.db2.gz BQPCKWPAJCGFEL-OAHLLOKOSA-N 0 1 297.398 3.929 20 0 CHADMN CCC[N@H+](CC(=O)[O-])CC1CCC2(CCCCC2)CC1 ZINC000901604959 1129938689 /nfs/dbraw/zinc/93/86/89/1129938689.db2.gz FKGBPRYIIHGRIJ-UHFFFAOYSA-N 0 1 281.440 3.924 20 0 CHADMN C[C@@H](C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000901645870 1129940867 /nfs/dbraw/zinc/94/08/67/1129940867.db2.gz FVVAIUYKEIDXAG-LBPRGKRZSA-N 0 1 299.345 3.643 20 0 CHADMN CC1=CCC[C@@H](C)[C@@H]1C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000901745661 1129949194 /nfs/dbraw/zinc/94/91/94/1129949194.db2.gz BYAWUQJHVWTFAP-RDTXWAMCSA-N 0 1 299.414 3.735 20 0 CHADMN Fc1ccc2c(c1)C[N@@H+]([C@@H]1CCc3cccc(F)c3C1)C2 ZINC001170999209 1131410016 /nfs/dbraw/zinc/41/00/16/1131410016.db2.gz CITWCDCLPODHLV-MRXNPFEDSA-N 0 1 285.337 3.838 20 0 CHADMN Cc1ccccc1C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000901840707 1129958918 /nfs/dbraw/zinc/95/89/18/1129958918.db2.gz NIIIJIJRXNLEJM-UHFFFAOYSA-N 0 1 277.408 3.564 20 0 CHADMN CCc1ccc([C@@H](COC)NCCSC(C)(C)C)o1 ZINC000801940285 1129961950 /nfs/dbraw/zinc/96/19/50/1129961950.db2.gz ZILXNWOJPIATBS-CYBMUJFWSA-N 0 1 285.453 3.651 20 0 CHADMN C[N@@H+](CC1CCC(C)(C)CC1)[C@H](C(=O)[O-])c1ccccc1 ZINC000901979896 1129969168 /nfs/dbraw/zinc/96/91/68/1129969168.db2.gz OHYISOCOZNYBCE-INIZCTEOSA-N 0 1 289.419 3.961 20 0 CHADMN CC[C@@H]1C[C@H]1CN[C@@H](c1nccs1)c1ccccc1 ZINC000901983120 1129969966 /nfs/dbraw/zinc/96/99/66/1129969966.db2.gz CNDSDOLBYBPHQD-VHDGCEQUSA-N 0 1 272.417 3.868 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000902009466 1129971274 /nfs/dbraw/zinc/97/12/74/1129971274.db2.gz FVGLNARUKYRNGU-GJZGRUSLSA-N 0 1 267.413 3.698 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1cccc(C2CCCC2)c1 ZINC000902006423 1129971299 /nfs/dbraw/zinc/97/12/99/1129971299.db2.gz GLDRSNNKYIRLRH-QGZVFWFLSA-N 0 1 287.403 3.783 20 0 CHADMN Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H]3CC(=O)[O-])o2)cc1 ZINC000902010099 1129971359 /nfs/dbraw/zinc/97/13/59/1129971359.db2.gz ONTXSFZORSLPHA-HNNXBMFYSA-N 0 1 299.370 3.694 20 0 CHADMN CCCCCC[C@H](C)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000771045007 1129971713 /nfs/dbraw/zinc/97/17/13/1129971713.db2.gz KCAWRDNIYKAFQY-VIFPVBQESA-N 0 1 291.317 3.974 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CC[C@@H](C)c1ccccc1 ZINC000902021780 1129972216 /nfs/dbraw/zinc/97/22/16/1129972216.db2.gz HOEWSNVKVVOVQO-ZBFHGGJFSA-N 0 1 277.408 3.611 20 0 CHADMN CC[C@H](C[N@H+]1CCCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000902039250 1129973329 /nfs/dbraw/zinc/97/33/29/1129973329.db2.gz QGRGKZHXEZWAMX-GDBMZVCRSA-N 0 1 275.392 3.509 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000902038533 1129973545 /nfs/dbraw/zinc/97/35/45/1129973545.db2.gz IELZIZXYZDHORJ-CQSZACIVSA-N 0 1 281.440 3.922 20 0 CHADMN CC[C@H](C[N@H+]1CCCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000902039253 1129973565 /nfs/dbraw/zinc/97/35/65/1129973565.db2.gz QGRGKZHXEZWAMX-ZBFHGGJFSA-N 0 1 275.392 3.509 20 0 CHADMN CCC(CC)C[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000902046524 1129974421 /nfs/dbraw/zinc/97/44/21/1129974421.db2.gz JDAPYXOBCUORPA-JKSUJKDBSA-N 0 1 275.392 3.713 20 0 CHADMN CCn1cnc(CN[C@@H](c2ccccc2)C(C)(C)C)c1 ZINC000902056125 1129975728 /nfs/dbraw/zinc/97/57/28/1129975728.db2.gz WJCVNSCRIFRMAK-INIZCTEOSA-N 0 1 271.408 3.780 20 0 CHADMN CNc1ccc(C)cc1CN[C@@H]1CCCc2occc21 ZINC000902064533 1129976961 /nfs/dbraw/zinc/97/69/61/1129976961.db2.gz ULGFISBXHOMBQO-MRXNPFEDSA-N 0 1 270.376 3.797 20 0 CHADMN CNc1ccccc1CN[C@H]1CSCc2ccccc21 ZINC000902125393 1129982569 /nfs/dbraw/zinc/98/25/69/1129982569.db2.gz ROFNVOQCOMNKSR-KRWDZBQOSA-N 0 1 284.428 3.806 20 0 CHADMN CNc1ccccc1CN[C@@H]1CCCOc2ccccc21 ZINC000902138495 1129983355 /nfs/dbraw/zinc/98/33/55/1129983355.db2.gz DDFPMGQDDQTNMU-QGZVFWFLSA-N 0 1 282.387 3.732 20 0 CHADMN COc1c(F)c(F)c(-c2cccc3cncn32)c(F)c1F ZINC001242735269 1129989467 /nfs/dbraw/zinc/98/94/67/1129989467.db2.gz VFBJILPZHLXVAS-UHFFFAOYSA-N 0 1 296.223 3.566 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@H](c2ccccc2)CC1)C(=O)[O-] ZINC000902217151 1129990089 /nfs/dbraw/zinc/99/00/89/1129990089.db2.gz CCMQJWIFYSNLEX-INIZCTEOSA-N 0 1 289.419 3.757 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000902239607 1129992627 /nfs/dbraw/zinc/99/26/27/1129992627.db2.gz UFADZMPNGMEDGL-OAHLLOKOSA-N 0 1 299.370 3.666 20 0 CHADMN CCC[N@@H+](CCc1cccc(F)c1)CCC(C)(C)C(=O)[O-] ZINC000902258572 1129994056 /nfs/dbraw/zinc/99/40/56/1129994056.db2.gz VEPMLOBAAHTHNX-UHFFFAOYSA-N 0 1 295.398 3.581 20 0 CHADMN CCc1oc(C[N@@H+]2CCC[C@H](CC)CC2)cc1C(=O)[O-] ZINC000902284597 1129996710 /nfs/dbraw/zinc/99/67/10/1129996710.db2.gz FVKMANCNXYQBHB-LBPRGKRZSA-N 0 1 279.380 3.552 20 0 CHADMN Cc1cn[nH]c1CSCCCCC(F)(F)F ZINC000902347653 1130001834 /nfs/dbraw/zinc/00/18/34/1130001834.db2.gz GIIQKODIAHCJIB-UHFFFAOYSA-N 0 1 252.305 3.684 20 0 CHADMN CNc1ccc(C)cc1CNc1ccc2c(c1)CN(C)C2 ZINC000902360686 1130003365 /nfs/dbraw/zinc/00/33/65/1130003365.db2.gz MBTIAKMRQBSOBZ-UHFFFAOYSA-N 0 1 281.403 3.594 20 0 CHADMN CCn1cnc(CN[C@@H](c2ccc(F)c(C)c2)C2CC2)c1 ZINC000902425328 1130009961 /nfs/dbraw/zinc/00/99/61/1130009961.db2.gz MCHZLGYYNRTBBK-QGZVFWFLSA-N 0 1 287.382 3.591 20 0 CHADMN CCc1oc(C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)cc1C(=O)[O-] ZINC000902436802 1130011403 /nfs/dbraw/zinc/01/14/03/1130011403.db2.gz KVUBXCNAHPPIMT-SJKOYZFVSA-N 0 1 291.391 3.552 20 0 CHADMN Cc1ccc([C@@H]2CC[N@@H+](Cc3cc(C(=O)[O-])co3)C2)c(C)c1 ZINC000902450553 1130012396 /nfs/dbraw/zinc/01/23/96/1130012396.db2.gz JWUDQSRLSVIHIK-CQSZACIVSA-N 0 1 299.370 3.584 20 0 CHADMN CC(C)C[C@H](NCc1csc(N)n1)c1cccs1 ZINC000902487790 1130015910 /nfs/dbraw/zinc/01/59/10/1130015910.db2.gz DVBJWMGXFABWAO-NSHDSACASA-N 0 1 281.450 3.664 20 0 CHADMN CCc1oc(C[N@@H+](C)[C@H]2CCc3ccccc32)cc1C(=O)[O-] ZINC000902508938 1130018345 /nfs/dbraw/zinc/01/83/45/1130018345.db2.gz DLWPGQIEGULGPQ-INIZCTEOSA-N 0 1 299.370 3.660 20 0 CHADMN CCc1oc(C[N@@H+](C)[C@H](C)C2CCCCC2)cc1C(=O)[O-] ZINC000902545664 1130022130 /nfs/dbraw/zinc/02/21/30/1130022130.db2.gz JRXQDTRODMXOKX-GFCCVEGCSA-N 0 1 293.407 3.941 20 0 CHADMN CCC(CC)[N@@H+](CC)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000902547353 1130022337 /nfs/dbraw/zinc/02/23/37/1130022337.db2.gz PAFSLJSQENCELF-ZDUSSCGKSA-N 0 1 293.407 3.549 20 0 CHADMN O=C([O-])c1csc(C[N@H+]2CCCC23CCCCC3)c1 ZINC000902543178 1130022799 /nfs/dbraw/zinc/02/27/99/1130022799.db2.gz NMRRZQRAWVUUSQ-UHFFFAOYSA-N 0 1 279.405 3.745 20 0 CHADMN CCc1oc(C[N@H+]2CCCC23CCCCC3)cc1C(=O)[O-] ZINC000902543167 1130022975 /nfs/dbraw/zinc/02/29/75/1130022975.db2.gz NEFUUTPPQBHLAB-UHFFFAOYSA-N 0 1 291.391 3.839 20 0 CHADMN CCC[C@@H](CN1CCO[C@H](C(F)F)C1)c1ccccc1 ZINC000802654094 1130026729 /nfs/dbraw/zinc/02/67/29/1130026729.db2.gz VMYFBDDOJLFGAA-GJZGRUSLSA-N 0 1 283.362 3.536 20 0 CHADMN CNc1ccc(C)cc1CNCc1cccc(C)c1OC ZINC000902616920 1130030818 /nfs/dbraw/zinc/03/08/18/1130030818.db2.gz YHKLBSSNNQJPMC-UHFFFAOYSA-N 0 1 284.403 3.644 20 0 CHADMN CC1(C)CN(C[C@H]2CC2(Cl)Cl)CC2(CCCC2)O1 ZINC000785538483 1130039832 /nfs/dbraw/zinc/03/98/32/1130039832.db2.gz JNHSCXDKPTVTEU-LLVKDONJSA-N 0 1 292.250 3.604 20 0 CHADMN COc1ccc2c(c1)nccc2-c1cccn2cncc12 ZINC001239683712 1130054225 /nfs/dbraw/zinc/05/42/25/1130054225.db2.gz NBMFGEWEUQISPF-UHFFFAOYSA-N 0 1 275.311 3.558 20 0 CHADMN C[C@@H](N[C@H](CC(C)(C)C)c1ccccc1)c1cn(C)nn1 ZINC000902746556 1130049761 /nfs/dbraw/zinc/04/97/61/1130049761.db2.gz JZRCFSSHIIWTEV-UKRRQHHQSA-N 0 1 286.423 3.643 20 0 CHADMN [NH3+][C@@H]1CCc2ccc(-c3cccc([O-])c3Cl)cc21 ZINC001242802598 1130057425 /nfs/dbraw/zinc/05/74/25/1130057425.db2.gz CIBZSDATHSZGQH-CYBMUJFWSA-N 0 1 259.736 3.659 20 0 CHADMN C/C(=C\C(C)(C)C)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000785877033 1130057846 /nfs/dbraw/zinc/05/78/46/1130057846.db2.gz RTGWNIITSSJNHJ-CMDGGOBGSA-N 0 1 275.327 3.633 20 0 CHADMN CC(C)(C)c1nc2nc[nH]c2c(-c2cc(F)ccc2F)n1 ZINC001239710322 1130064893 /nfs/dbraw/zinc/06/48/93/1130064893.db2.gz TWWQYJZLPWOEJM-UHFFFAOYSA-N 0 1 288.301 3.547 20 0 CHADMN CC(C)Oc1ccc(N[C@@H]2CCCc3[nH]ncc32)c(F)c1 ZINC000796896163 1130067863 /nfs/dbraw/zinc/06/78/63/1130067863.db2.gz ILCUJMCFFIYOKJ-CQSZACIVSA-N 0 1 289.354 3.826 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OC1(C)CCC1 ZINC000772677848 1130075769 /nfs/dbraw/zinc/07/57/69/1130075769.db2.gz UYAAXBOADJCVSP-UHFFFAOYSA-N 0 1 284.359 3.793 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)OCc1ccc(C)cc1 ZINC000786339537 1130086864 /nfs/dbraw/zinc/08/68/64/1130086864.db2.gz CVLKJNBASLUDEG-UHFFFAOYSA-N 0 1 272.348 3.507 20 0 CHADMN COc1cccc(-c2cc3nc[nH]c3cc2C)c1F ZINC001239748648 1130088729 /nfs/dbraw/zinc/08/87/29/1130088729.db2.gz UIMCDCFGZQVINJ-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CC(C)(C)OCc1cc(CNC2C[C@@H]3CCC[C@H]3C2)no1 ZINC000902960873 1130092029 /nfs/dbraw/zinc/09/20/29/1130092029.db2.gz ZDOZDUCGNGVPSP-STQMWFEESA-N 0 1 292.423 3.658 20 0 CHADMN CCCn1cc([C@H](C)N[C@H]2C[C@H](c3ccccc3C)C2)nn1 ZINC000902979913 1130094586 /nfs/dbraw/zinc/09/45/86/1130094586.db2.gz VRJOPKIAODKBBT-JYJNAYRXSA-N 0 1 298.434 3.593 20 0 CHADMN COc1ccc(C)cc1-c1cc2[nH]ccc2c(C)n1 ZINC001239766270 1130098083 /nfs/dbraw/zinc/09/80/83/1130098083.db2.gz RTJKJOYHCZFERK-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN CC(=O)Nc1ccccc1-c1cc(N2CCCCC2)ccn1 ZINC001239778375 1130104447 /nfs/dbraw/zinc/10/44/47/1130104447.db2.gz BFNSMXPRMUZCBA-UHFFFAOYSA-N 0 1 295.386 3.697 20 0 CHADMN CCC[C@@H](N[C@H](c1nncn1C)C(C)C)c1ccccc1 ZINC000903062858 1130107964 /nfs/dbraw/zinc/10/79/64/1130107964.db2.gz XYCRJOXSYRLMQB-CVEARBPZSA-N 0 1 286.423 3.643 20 0 CHADMN C[C@H](NCCc1ccns1)c1ncc(-c2ccccc2)o1 ZINC000903086202 1130110651 /nfs/dbraw/zinc/11/06/51/1130110651.db2.gz DBIBLUSFIKOUSH-LBPRGKRZSA-N 0 1 299.399 3.691 20 0 CHADMN Cc1ccc2nc(CN[C@H](c3ccccn3)C3CC3)[nH]c2c1 ZINC000903104863 1130113137 /nfs/dbraw/zinc/11/31/37/1130113137.db2.gz MNUCWKDXKHLZGV-SFHVURJKSA-N 0 1 292.386 3.507 20 0 CHADMN CCCCn1cc(CN[C@@H](c2ccccn2)C2CC2)c(C)n1 ZINC000903132648 1130117336 /nfs/dbraw/zinc/11/73/36/1130117336.db2.gz VBGIDZFZVDBJPJ-GOSISDBHSA-N 0 1 298.434 3.628 20 0 CHADMN Fc1ccc([C@@H](NCC[C@@H]2C[C@H]2C2CC2)c2ncc[nH]2)cc1 ZINC000903161271 1130121197 /nfs/dbraw/zinc/12/11/97/1130121197.db2.gz GJFJKRAQHPGTSY-HYVNUMGLSA-N 0 1 299.393 3.664 20 0 CHADMN c1ccc([C@H](Nc2cc3c(cn2)CCCC3)C2CC2)nc1 ZINC000903174252 1130123416 /nfs/dbraw/zinc/12/34/16/1130123416.db2.gz HRHPXDSMOVRMDS-GOSISDBHSA-N 0 1 279.387 3.919 20 0 CHADMN CC(=O)OCc1cccc([C@H](C)NCc2occc2C)c1 ZINC000903175767 1130125211 /nfs/dbraw/zinc/12/52/11/1130125211.db2.gz VJOKTSAZVJDMFA-ZDUSSCGKSA-N 0 1 287.359 3.502 20 0 CHADMN C[C@@H](NCc1cc(N(C)C)ccn1)c1ccc(Cl)s1 ZINC000903202753 1130129294 /nfs/dbraw/zinc/12/92/94/1130129294.db2.gz IIXXMRWUEPYCKM-SNVBAGLBSA-N 0 1 295.839 3.713 20 0 CHADMN COc1ccc2cc(-c3[nH]ccc4ncnc3-4)ccc2c1 ZINC001239838987 1130130404 /nfs/dbraw/zinc/13/04/04/1130130404.db2.gz KQISWTPHAAZYQD-UHFFFAOYSA-N 0 1 275.311 3.787 20 0 CHADMN COc1ccc2cc(-c3nccc4[nH]cnc43)ccc2c1 ZINC001239838987 1130130406 /nfs/dbraw/zinc/13/04/06/1130130406.db2.gz KQISWTPHAAZYQD-UHFFFAOYSA-N 0 1 275.311 3.787 20 0 CHADMN Fc1cccc2c1CCN(Cc1ccc3cnccc3c1)C2 ZINC000787162685 1130133982 /nfs/dbraw/zinc/13/39/82/1130133982.db2.gz JPEHVFXHLUJJJG-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN Cc1ccc(-c2cc(N3CCOCC3)ccn2)c(Cl)c1 ZINC001239862343 1130138974 /nfs/dbraw/zinc/13/89/74/1130138974.db2.gz WAOUBCZGYNEKFO-UHFFFAOYSA-N 0 1 288.778 3.547 20 0 CHADMN CC(C)c1nc([C@@H](C)NCC[C@@H]2CCCC[C@@H]2O)cs1 ZINC000903262345 1130139468 /nfs/dbraw/zinc/13/94/68/1130139468.db2.gz CVPKRJUOQNPRAG-IPYPFGDCSA-N 0 1 296.480 3.858 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1ccc(F)cn1 ZINC000787250156 1130140508 /nfs/dbraw/zinc/14/05/08/1130140508.db2.gz QKDOQIICLXJXSX-KRWDZBQOSA-N 0 1 270.351 3.730 20 0 CHADMN COc1ccc(OC)c(-c2cc3nc[nH]c3cc2C)c1OC ZINC001239878142 1130145111 /nfs/dbraw/zinc/14/51/11/1130145111.db2.gz XJLHUHAXLCNLAY-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc2c(c1)COC2)c1cncs1 ZINC000903312679 1130151683 /nfs/dbraw/zinc/15/16/83/1130151683.db2.gz XRBLJVQZVGMBTK-GHMZBOCLSA-N 0 1 274.389 3.585 20 0 CHADMN Fc1ccccc1C1CC(N[C@H](c2ncccn2)C2CC2)C1 ZINC000903326683 1130155095 /nfs/dbraw/zinc/15/50/95/1130155095.db2.gz MPSVUEDLKQQYPN-KVULBXGLSA-N 0 1 297.377 3.603 20 0 CHADMN Cc1cccnc1[C@@H](N[C@H](C)c1cncnc1C)C(C)(C)C ZINC000903330566 1130157763 /nfs/dbraw/zinc/15/77/63/1130157763.db2.gz WPXQDKBYIPXIBZ-RHSMWYFYSA-N 0 1 298.434 3.926 20 0 CHADMN CC[C@H](N[C@H](c1ccccn1)C1CC1)c1ccncc1 ZINC000903336524 1130161372 /nfs/dbraw/zinc/16/13/72/1130161372.db2.gz ZTLYPXNETGTLKE-RDJZCZTQSA-N 0 1 267.376 3.669 20 0 CHADMN C[C@H](N[C@@H](c1ccccn1)C1CC1)c1ccc2c(c1)OCO2 ZINC000903337783 1130161552 /nfs/dbraw/zinc/16/15/52/1130161552.db2.gz FJUUCVYMGQEKMQ-KPZWWZAWSA-N 0 1 296.370 3.612 20 0 CHADMN C[C@@H](N[C@H](c1ccccn1)C1CC1)c1ccccc1N(C)C ZINC000903336516 1130161569 /nfs/dbraw/zinc/16/15/69/1130161569.db2.gz ZROFBEWKYARHDW-KUHUBIRLSA-N 0 1 295.430 3.950 20 0 CHADMN COc1cccc([C@H](C)N[C@@H](c2ccccn2)C2CC2)c1 ZINC000903339093 1130162351 /nfs/dbraw/zinc/16/23/51/1130162351.db2.gz KNTLRKHGSJRYCY-SCLBCKFNSA-N 0 1 282.387 3.892 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](c2ccccn2)C2CC2)s1 ZINC000903339492 1130162537 /nfs/dbraw/zinc/16/25/37/1130162537.db2.gz MAPUSGLZWWKIQM-BMIGLBTASA-N 0 1 273.405 3.648 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3c2cccc3O)cc(Cl)n1 ZINC000787771852 1130163080 /nfs/dbraw/zinc/16/30/80/1130163080.db2.gz FYEYOUHGFCOEHG-CQSZACIVSA-N 0 1 288.778 3.526 20 0 CHADMN CC[C@H](C)c1ccc([C@H](C)NCc2cn(C)cn2)cc1 ZINC000903351795 1130165018 /nfs/dbraw/zinc/16/50/18/1130165018.db2.gz PBRGEVOARDZXGS-KBPBESRZSA-N 0 1 271.408 3.784 20 0 CHADMN Cc1ccccc1[C@H](NCc1cn(C)cn1)C1CCCC1 ZINC000903353227 1130165264 /nfs/dbraw/zinc/16/52/64/1130165264.db2.gz ZYCUPWCNUDOHDS-GOSISDBHSA-N 0 1 283.419 3.750 20 0 CHADMN C[C@H](NCC[C@@H](O)C1CC1)c1cc(Cl)sc1Cl ZINC000903405725 1130170991 /nfs/dbraw/zinc/17/09/91/1130170991.db2.gz QTQCYQXJUAPIAK-OIBJUYFYSA-N 0 1 294.247 3.867 20 0 CHADMN Cc1cncc([C@@H](C)N[C@H](C)c2cnn(CC3CCC3)c2)c1 ZINC000903403642 1130171414 /nfs/dbraw/zinc/17/14/14/1130171414.db2.gz FDLFOTCRPSHMGR-HUUCEWRRSA-N 0 1 298.434 3.798 20 0 CHADMN COC1(CN[C@@H](C)c2nccs2)CCCCCC1 ZINC000903417881 1130173904 /nfs/dbraw/zinc/17/39/04/1130173904.db2.gz GZEVAEMXUSRQAA-LBPRGKRZSA-N 0 1 268.426 3.533 20 0 CHADMN CCOC(=O)c1cc2ccc(-c3cc(C)ccc3F)[nH]c-2n1 ZINC001239965053 1130174658 /nfs/dbraw/zinc/17/46/58/1130174658.db2.gz XYUKUXGXZFDZJC-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN CCCOc1ccc(-c2cncc3nc[nH]c32)c(F)c1F ZINC001239969338 1130178206 /nfs/dbraw/zinc/17/82/06/1130178206.db2.gz MOGGNYMOUGIWBO-UHFFFAOYSA-N 0 1 289.285 3.692 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000903594001 1130183520 /nfs/dbraw/zinc/18/35/20/1130183520.db2.gz AYWJBTJQIQBWEO-ZOBUZTSGSA-N 0 1 289.419 3.592 20 0 CHADMN C[C@@H](C[N@@H+](CCCC(C)(F)F)Cc1ccccc1)C(=O)[O-] ZINC000903596117 1130183903 /nfs/dbraw/zinc/18/39/03/1130183903.db2.gz MCQVULJAYGLNNC-ZDUSSCGKSA-N 0 1 299.361 3.645 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000903608252 1130184679 /nfs/dbraw/zinc/18/46/79/1130184679.db2.gz XOAUMSCETQSUOJ-NUEKZKHPSA-N 0 1 281.440 3.778 20 0 CHADMN CC(F)(F)CCC[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000903607486 1130184736 /nfs/dbraw/zinc/18/47/36/1130184736.db2.gz CQKLHRYAGOFHAK-KBPBESRZSA-N 0 1 297.345 3.712 20 0 CHADMN CC(C)Cc1ccccc1C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000903608827 1130184973 /nfs/dbraw/zinc/18/49/73/1130184973.db2.gz NEVFGRPWLWMHIP-UHFFFAOYSA-N 0 1 289.419 3.714 20 0 CHADMN C[C@@H]1C[C@H](C)CC[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000903631075 1130185905 /nfs/dbraw/zinc/18/59/05/1130185905.db2.gz KYTIQHYMALPISG-VXGBXAGGSA-N 0 1 295.810 3.906 20 0 CHADMN CC(C)[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1cccs1 ZINC000903696328 1130190549 /nfs/dbraw/zinc/19/05/49/1130190549.db2.gz FOPUJFDXDHMIMR-UHFFFAOYSA-N 0 1 281.421 3.604 20 0 CHADMN C[N@@H+](CCC1(C(=O)[O-])CCC1)[C@@H]1CCCc2ccccc21 ZINC000903692781 1130190727 /nfs/dbraw/zinc/19/07/27/1130190727.db2.gz BCPWNWOUHUAQQY-MRXNPFEDSA-N 0 1 287.403 3.641 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788501634 1130191471 /nfs/dbraw/zinc/19/14/71/1130191471.db2.gz GAWMFJGUNLDKDX-CQSZACIVSA-N 0 1 272.779 3.821 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(-c3cc[nH]n3)o2)s1 ZINC000788510188 1130191766 /nfs/dbraw/zinc/19/17/66/1130191766.db2.gz WMPDZDUPCMUIDT-LLVKDONJSA-N 0 1 287.388 3.890 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1cccc2cnccc21 ZINC001240010718 1130192564 /nfs/dbraw/zinc/19/25/64/1130192564.db2.gz HDCHNESWLPYHFM-UHFFFAOYSA-N 0 1 263.275 3.917 20 0 CHADMN Cc1nc2cncc(-c3ccc(N4CCCCC4)cc3)c2[nH]1 ZINC001240019678 1130195335 /nfs/dbraw/zinc/19/53/35/1130195335.db2.gz NVOXPSWWYLOOSL-UHFFFAOYSA-N 0 1 292.386 3.924 20 0 CHADMN COc1ccc(-c2ccc(F)c(CN(C)C)c2)c(F)c1 ZINC001240025161 1130197476 /nfs/dbraw/zinc/19/74/76/1130197476.db2.gz VERWSIRILCLPQT-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN Fc1cc2[nH]ccc2c(-c2cccc3nc[nH]c32)c1 ZINC001240032850 1130200686 /nfs/dbraw/zinc/20/06/86/1130200686.db2.gz JPPCKNLXQMSJGL-UHFFFAOYSA-N 0 1 251.264 3.850 20 0 CHADMN Fc1cc2[nH]ccc2c(-c2cccn3cncc23)c1 ZINC001240037229 1130202170 /nfs/dbraw/zinc/20/21/70/1130202170.db2.gz RVTPJXALNMNDMH-UHFFFAOYSA-N 0 1 251.264 3.622 20 0 CHADMN CC[N@@H+](Cc1ccccc1)[C@@H](CCc1ccccc1)C(=O)[O-] ZINC000903884673 1130207661 /nfs/dbraw/zinc/20/76/61/1130207661.db2.gz BDRMCAPUTHQORH-SFHVURJKSA-N 0 1 297.398 3.595 20 0 CHADMN CCCC[N@@H+](CC)Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903886351 1130208038 /nfs/dbraw/zinc/20/80/38/1130208038.db2.gz ZUDWVEHWCWVFEP-UHFFFAOYSA-N 0 1 293.285 3.619 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903887452 1130208879 /nfs/dbraw/zinc/20/88/79/1130208879.db2.gz RVTIMNWMALEMFC-INIZCTEOSA-N 0 1 298.386 3.553 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])CC1CC(C)C1 ZINC000903907801 1130210807 /nfs/dbraw/zinc/21/08/07/1130210807.db2.gz UAPQSKFQZXIFLW-ZBCRRDGASA-N 0 1 275.392 3.570 20 0 CHADMN CCc1ccc(C[N@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000903951395 1130211764 /nfs/dbraw/zinc/21/17/64/1130211764.db2.gz JGZUXZWVGDRUAN-LOUJCGABSA-N 0 1 289.419 3.569 20 0 CHADMN Cc1ccc(C[N@@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]2C)c(C)c1 ZINC000903950601 1130212186 /nfs/dbraw/zinc/21/21/86/1130212186.db2.gz RCDFLLBOPQQBAK-QSJFSLAZSA-N 0 1 289.419 3.623 20 0 CHADMN CCc1cccc(C[N@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC000903954881 1130213218 /nfs/dbraw/zinc/21/32/18/1130213218.db2.gz ZVHOZOGZMVRXNE-LOUJCGABSA-N 0 1 289.419 3.569 20 0 CHADMN CC(C)CCC[C@@H](C)N1CCc2cnc(C3CC3)nc2C1 ZINC001170092188 1130216898 /nfs/dbraw/zinc/21/68/98/1130216898.db2.gz ZJKQYFWMSYWWNV-CQSZACIVSA-N 0 1 287.451 3.927 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncs1)c1ccc(Cl)nc1 ZINC000788983914 1130222333 /nfs/dbraw/zinc/22/23/33/1130222333.db2.gz ONZHXQGHPZKWJJ-BDAKNGLRSA-N 0 1 267.785 3.603 20 0 CHADMN CC[C@H](C)CN(CC)Cn1ccn(C(C)C)c1=S ZINC000748260795 1130225379 /nfs/dbraw/zinc/22/53/79/1130225379.db2.gz BRXPFZSLXDSFFP-ZDUSSCGKSA-N 0 1 269.458 3.925 20 0 CHADMN CC[C@H](C)CN(CC)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000748264029 1130226256 /nfs/dbraw/zinc/22/62/56/1130226256.db2.gz ZNNSTJIZSUWFNA-YQQAZPJKSA-N 0 1 288.435 3.532 20 0 CHADMN CCN(CCOc1ccc(C)cc1)CCC(F)(F)F ZINC000748305498 1130229355 /nfs/dbraw/zinc/22/93/55/1130229355.db2.gz MSTYJTQKWUFGJK-UHFFFAOYSA-N 0 1 275.314 3.648 20 0 CHADMN CCN(C(=O)CN(C)C(C)C)c1ccc2ccccc2c1 ZINC000748731777 1130243818 /nfs/dbraw/zinc/24/38/18/1130243818.db2.gz CMSFFCORDGTXHG-UHFFFAOYSA-N 0 1 284.403 3.533 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1cccc(-n2cccn2)c1 ZINC001240247121 1130245760 /nfs/dbraw/zinc/24/57/60/1130245760.db2.gz OJXSLXQWKDLLLX-UHFFFAOYSA-N 0 1 274.327 3.724 20 0 CHADMN c1cc(-c2ccc3[nH]nnc3c2)cc(N2CCCCC2)c1 ZINC001240252107 1130248630 /nfs/dbraw/zinc/24/86/30/1130248630.db2.gz KTFSSJSCEREPND-UHFFFAOYSA-N 0 1 278.359 3.615 20 0 CHADMN c1cc(-c2ccc3nn[nH]c3c2)cc(N2CCCCC2)c1 ZINC001240252107 1130248634 /nfs/dbraw/zinc/24/86/34/1130248634.db2.gz KTFSSJSCEREPND-UHFFFAOYSA-N 0 1 278.359 3.615 20 0 CHADMN Cc1cc(-c2ccc(C(F)(F)F)nc2)cc2nc[nH]c21 ZINC001240267938 1130252809 /nfs/dbraw/zinc/25/28/09/1130252809.db2.gz RPTJTVFKASWVAB-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN CC(C)c1cnc(CN2C[C@H](C)C[C@H](C)[C@H]2C)o1 ZINC000789452076 1130252960 /nfs/dbraw/zinc/25/29/60/1130252960.db2.gz PRBUHHSODYGQHR-FRRDWIJNSA-N 0 1 250.386 3.664 20 0 CHADMN CCc1cc(CN[C@@H](C)c2ccc3ccccc3c2)[nH]n1 ZINC000749128268 1130266161 /nfs/dbraw/zinc/26/61/61/1130266161.db2.gz IQFXSRZHMSBQHY-ZDUSSCGKSA-N 0 1 279.387 3.976 20 0 CHADMN COc1ccc(Cl)c(CN2CCC[C@H](CF)C2)c1 ZINC001137264966 1130270850 /nfs/dbraw/zinc/27/08/50/1130270850.db2.gz FTRRBHZQXKQUHF-LLVKDONJSA-N 0 1 271.763 3.530 20 0 CHADMN COc1ccc(Cl)c(C[N@H+]2CCC[C@@H](C(F)F)C2)c1 ZINC001137265049 1130271671 /nfs/dbraw/zinc/27/16/71/1130271671.db2.gz JVNOCWPQFLCDRU-SNVBAGLBSA-N 0 1 289.753 3.826 20 0 CHADMN COc1ccc(Cl)c(CN2CCC[C@@H](C(F)F)C2)c1 ZINC001137265049 1130271675 /nfs/dbraw/zinc/27/16/75/1130271675.db2.gz JVNOCWPQFLCDRU-SNVBAGLBSA-N 0 1 289.753 3.826 20 0 CHADMN CC(C)OCCN1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000676907236 1130277424 /nfs/dbraw/zinc/27/74/24/1130277424.db2.gz BRUQLBLHMMYSGS-AWEZNQCLSA-N 0 1 297.826 3.608 20 0 CHADMN Cc1c(CN2CCC(F)(F)C(C)(C)C2)nc2ccccn12 ZINC001137268179 1130277591 /nfs/dbraw/zinc/27/75/91/1130277591.db2.gz QLRVQHORXCADCG-UHFFFAOYSA-N 0 1 293.361 3.510 20 0 CHADMN CCCC1CCN(Cc2nc3ccccn3c2C)CC1 ZINC001137272496 1130277671 /nfs/dbraw/zinc/27/76/71/1130277671.db2.gz WXAKTHASHGTHEP-UHFFFAOYSA-N 0 1 271.408 3.655 20 0 CHADMN Cc1c(CN2CC[C@H]3CCCC[C@@H]3C2)nc2ccccn12 ZINC001137276005 1130279326 /nfs/dbraw/zinc/27/93/26/1130279326.db2.gz UGENMTSPKGWAJX-HZPDHXFCSA-N 0 1 283.419 3.655 20 0 CHADMN Cc1c(CN2CCC[C@@H]3CCCC[C@H]32)nc2ccccn12 ZINC001137273430 1130280869 /nfs/dbraw/zinc/28/08/69/1130280869.db2.gz MXYPDUBQFIDLQE-DOTOQJQBSA-N 0 1 283.419 3.797 20 0 CHADMN CC(C)n1cnc2cc(-c3cccc4[nH]nnc43)ccc21 ZINC001240370865 1130282615 /nfs/dbraw/zinc/28/26/15/1130282615.db2.gz IQDRPJQKCWGIJB-UHFFFAOYSA-N 0 1 277.331 3.556 20 0 CHADMN c1ccc(-c2nc3cc(-c4cncnc4)ccc3[nH]2)cc1 ZINC001240377597 1130283217 /nfs/dbraw/zinc/28/32/17/1130283217.db2.gz NHSKAIJHGBGMHL-UHFFFAOYSA-N 0 1 272.311 3.687 20 0 CHADMN Cc1cc(F)ccc1CN(C)C[C@H]1CC1(Cl)Cl ZINC000753782898 1130286663 /nfs/dbraw/zinc/28/66/63/1130286663.db2.gz CMVRSQYMFSQQRR-LLVKDONJSA-N 0 1 276.182 3.760 20 0 CHADMN Fc1cc(C(F)(F)F)ccc1-c1cc2nc[nH]c2cn1 ZINC001240393953 1130289459 /nfs/dbraw/zinc/28/94/59/1130289459.db2.gz HTCOTNBNMKMJRN-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN CCOc1ccc(CN[C@@H](c2cccs2)C2CC2)nc1 ZINC000677148894 1130293970 /nfs/dbraw/zinc/29/39/70/1130293970.db2.gz SIUYLCSYDZZXPH-MRXNPFEDSA-N 0 1 288.416 3.783 20 0 CHADMN CC(C)CC1(C)CCN(Cc2ccc(F)cn2)CC1 ZINC000677161646 1130295554 /nfs/dbraw/zinc/29/55/54/1130295554.db2.gz SMLUEILFCMMKJB-UHFFFAOYSA-N 0 1 264.388 3.869 20 0 CHADMN COC[C@@H]1CCCCN1Cc1scc(C)c1Cl ZINC001137287702 1130296253 /nfs/dbraw/zinc/29/62/53/1130296253.db2.gz UOIIXMIKKBTKSU-NSHDSACASA-N 0 1 273.829 3.711 20 0 CHADMN CCC(CC)N(CC)Cc1noc(-c2ccccc2)n1 ZINC000677243637 1130297919 /nfs/dbraw/zinc/29/79/19/1130297919.db2.gz ZKHONFLBNJEUIG-UHFFFAOYSA-N 0 1 273.380 3.747 20 0 CHADMN CC(C)CCn1cc(-c2ccc(F)c(CN(C)C)c2)cn1 ZINC001240420591 1130301521 /nfs/dbraw/zinc/30/15/21/1130301521.db2.gz AQUNWYSIQURRHH-UHFFFAOYSA-N 0 1 289.398 3.797 20 0 CHADMN Cc1ncc(CCNCc2ncc(C(C)(C)C)s2)s1 ZINC000790473657 1130315383 /nfs/dbraw/zinc/31/53/83/1130315383.db2.gz UKIKMQRXJPWCNR-UHFFFAOYSA-N 0 1 295.477 3.538 20 0 CHADMN CCOc1ccc(CN2CC=C(C(C)(C)C)CC2)nc1 ZINC000677561036 1130316187 /nfs/dbraw/zinc/31/61/87/1130316187.db2.gz GSHHLSFSKBPHPL-UHFFFAOYSA-N 0 1 274.408 3.659 20 0 CHADMN Cc1cc(CN[C@H]2CCc3cc(Cl)cc(Cl)c32)[nH]n1 ZINC000677654867 1130320267 /nfs/dbraw/zinc/32/02/67/1130320267.db2.gz HOWGAQJBMYKICJ-ZDUSSCGKSA-N 0 1 296.201 3.802 20 0 CHADMN Cc1ccc2ncc(CN3CCC[C@@H]4CCCC[C@@H]43)n2c1 ZINC001137310387 1130321953 /nfs/dbraw/zinc/32/19/53/1130321953.db2.gz VJPJJFFJPGLLPT-RDJZCZTQSA-N 0 1 283.419 3.797 20 0 CHADMN Cc1cc(CN2CC3(C2)CC(F)(F)C3)c2ccccc2n1 ZINC000677733080 1130326836 /nfs/dbraw/zinc/32/68/36/1130326836.db2.gz KXRAUEIAEACMAW-UHFFFAOYSA-N 0 1 288.341 3.774 20 0 CHADMN Cc1ccc(-c2cc(CN3CC[C@@H](C(F)F)C3)on2)cc1 ZINC000677735385 1130327327 /nfs/dbraw/zinc/32/73/27/1130327327.db2.gz ZLDTYRAYZOMMSD-CYBMUJFWSA-N 0 1 292.329 3.737 20 0 CHADMN COc1cccc([C@H](C)N[C@@H](C)c2cnc(C)s2)c1 ZINC000677753316 1130328334 /nfs/dbraw/zinc/32/83/34/1130328334.db2.gz FZLOBNIDUBJKOT-QWRGUYRKSA-N 0 1 276.405 3.872 20 0 CHADMN CSc1cc(F)c(-c2ccc3nn[nH]c3c2)c(F)c1 ZINC001243229360 1130329829 /nfs/dbraw/zinc/32/98/29/1130329829.db2.gz OLBVNHRZLQPPMA-UHFFFAOYSA-N 0 1 277.299 3.625 20 0 CHADMN Cc1ccc2c(n1)N(CC1CC1)CCN([C@@H]1CC[C@H](C)C1)C2 ZINC001170144473 1130332381 /nfs/dbraw/zinc/33/23/81/1130332381.db2.gz KAAFUSAJMAWAMM-KBXCAEBGSA-N 0 1 299.462 3.611 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCC1(C)CC1 ZINC000790801773 1130332704 /nfs/dbraw/zinc/33/27/04/1130332704.db2.gz CCBOXCQYXRMBMD-UHFFFAOYSA-N 0 1 284.359 3.650 20 0 CHADMN C[C@@H]1CC[C@@H](N(Cc2cccnc2)Cc2cccnc2)C1 ZINC001170144934 1130335745 /nfs/dbraw/zinc/33/57/45/1130335745.db2.gz QLCAPYOFIRFXMI-CRAIPNDOSA-N 0 1 281.403 3.667 20 0 CHADMN CC(C)Cc1ccccc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000790884816 1130338052 /nfs/dbraw/zinc/33/80/52/1130338052.db2.gz QZNMSEITWMBFKP-UHFFFAOYSA-N 0 1 298.390 3.523 20 0 CHADMN CC(C)Cc1ccccc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000790884816 1130338059 /nfs/dbraw/zinc/33/80/59/1130338059.db2.gz QZNMSEITWMBFKP-UHFFFAOYSA-N 0 1 298.390 3.523 20 0 CHADMN Cc1ccccc1-c1noc(CN2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000678046917 1130345694 /nfs/dbraw/zinc/34/56/94/1130345694.db2.gz ZNXWWSIMSPLVBO-OCCSQVGLSA-N 0 1 285.391 3.523 20 0 CHADMN Cc1nc(CCN2CC[C@@H]2c2cccc(F)c2)cs1 ZINC000678079265 1130348954 /nfs/dbraw/zinc/34/89/54/1130348954.db2.gz SUACWECZWOVQLE-OAHLLOKOSA-N 0 1 276.380 3.580 20 0 CHADMN CCc1cc(CN[C@H]2C[C@H](C)c3c2cccc3C)on1 ZINC000678115724 1130349835 /nfs/dbraw/zinc/34/98/35/1130349835.db2.gz YUEDFYLLPIATFP-LRDDRELGSA-N 0 1 270.376 3.884 20 0 CHADMN CCN(Cc1nn(C)c2ccccc12)Cc1ccccc1 ZINC000678121166 1130352673 /nfs/dbraw/zinc/35/26/73/1130352673.db2.gz TXRCXZBAXYMZSK-UHFFFAOYSA-N 0 1 279.387 3.595 20 0 CHADMN FC(F)(F)c1ccc(CN(Cc2cn[nH]c2)C2CC2)cc1 ZINC000678135517 1130356356 /nfs/dbraw/zinc/35/63/56/1130356356.db2.gz OTFJGZYHVMOXRF-UHFFFAOYSA-N 0 1 295.308 3.593 20 0 CHADMN Cc1cc(COC(=O)c2c(F)cc(O)cc2F)c(C)s1 ZINC000746986806 1130356622 /nfs/dbraw/zinc/35/66/22/1130356622.db2.gz NYYXZGLMVCMZAP-UHFFFAOYSA-N 0 1 298.310 3.706 20 0 CHADMN C[C@@H]1CCC[C@@H](CNc2cnn(-c3ccncc3)c2)C1 ZINC000678156043 1130364063 /nfs/dbraw/zinc/36/40/63/1130364063.db2.gz NULAHUPQIIRUEG-ZIAGYGMSSA-N 0 1 270.380 3.506 20 0 CHADMN Clc1ccccc1C1=CCN([C@H]2CCCOC2)CC1 ZINC000678173762 1130366743 /nfs/dbraw/zinc/36/67/43/1130366743.db2.gz GNRFJRQIENCLRH-AWEZNQCLSA-N 0 1 277.795 3.608 20 0 CHADMN COCc1ccc(CN2CCOc3ccccc3[C@H]2C)cc1 ZINC000678197140 1130368224 /nfs/dbraw/zinc/36/82/24/1130368224.db2.gz UFCPGMVQONYRQT-OAHLLOKOSA-N 0 1 297.398 3.789 20 0 CHADMN c1oc2ccccc2c1CN1CCOc2ccccc2C1 ZINC000678196439 1130369116 /nfs/dbraw/zinc/36/91/16/1130369116.db2.gz RWXKPUJKQFVAJM-UHFFFAOYSA-N 0 1 279.339 3.827 20 0 CHADMN C[C@H]1c2ccccc2OCCN1Cc1ccc2c[nH]nc2c1 ZINC000678196871 1130369267 /nfs/dbraw/zinc/36/92/67/1130369267.db2.gz KSIIEKMSIGFPLD-ZDUSSCGKSA-N 0 1 293.370 3.519 20 0 CHADMN Cn1cccc1CN1CC(C)(C)[C@H]1c1ccccc1 ZINC000678214538 1130372629 /nfs/dbraw/zinc/37/26/29/1130372629.db2.gz ZLZUOQILVGRMJB-MRXNPFEDSA-N 0 1 254.377 3.608 20 0 CHADMN Cc1ncsc1CN(C)Cc1ccccc1C1CC1 ZINC000678237645 1130376222 /nfs/dbraw/zinc/37/62/22/1130376222.db2.gz JDSJAIMMOBGPQY-UHFFFAOYSA-N 0 1 272.417 3.961 20 0 CHADMN Clc1cscc1CN1CCC(c2c[nH]cn2)CC1 ZINC000678268018 1130384851 /nfs/dbraw/zinc/38/48/51/1130384851.db2.gz ZAPYACASCOSYEH-UHFFFAOYSA-N 0 1 281.812 3.504 20 0 CHADMN Oc1ccc(-c2c(F)c(F)cc(F)c2F)c(F)c1F ZINC001243342182 1130388877 /nfs/dbraw/zinc/38/88/77/1130388877.db2.gz KEJAHJRAFZQMIF-UHFFFAOYSA-N 0 1 278.151 3.894 20 0 CHADMN Cc1cc(C)c(CN2CCSC[C@@H]2c2ccccc2)[nH]1 ZINC001137329969 1130392468 /nfs/dbraw/zinc/39/24/68/1130392468.db2.gz WUAIDIPKBLCDNE-QGZVFWFLSA-N 0 1 286.444 3.922 20 0 CHADMN CCc1ccc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)s1 ZINC000678295907 1130393997 /nfs/dbraw/zinc/39/39/97/1130393997.db2.gz LRBUMVZGZXMQIM-HNNXBMFYSA-N 0 1 289.448 3.553 20 0 CHADMN CCc1ccc(CN(C)[C@H]2CCCc3c2cnn3C)s1 ZINC000678295907 1130394000 /nfs/dbraw/zinc/39/40/00/1130394000.db2.gz LRBUMVZGZXMQIM-HNNXBMFYSA-N 0 1 289.448 3.553 20 0 CHADMN CCc1ccc([C@H]2C[C@H](C)CCN2Cc2cn[nH]c2)o1 ZINC000678299480 1130394649 /nfs/dbraw/zinc/39/46/49/1130394649.db2.gz YXFZTVRCIGYIDT-IUODEOHRSA-N 0 1 273.380 3.538 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1cc(F)c(F)c(F)c1 ZINC000678362616 1130409558 /nfs/dbraw/zinc/40/95/58/1130409558.db2.gz IXULROYNFQFITM-JTQLQIEISA-N 0 1 280.293 3.658 20 0 CHADMN CC(=O)Nc1cccc(CN[C@H](C)c2ccc(C)nc2C)c1 ZINC000678412028 1130411720 /nfs/dbraw/zinc/41/17/20/1130411720.db2.gz RJSNYBDFJQYNSJ-CYBMUJFWSA-N 0 1 297.402 3.508 20 0 CHADMN c1cc(C2=NCCC2)cc(-c2cnc(C3CC3)nc2)c1 ZINC001240687359 1130417641 /nfs/dbraw/zinc/41/76/41/1130417641.db2.gz PQOABVSFMIMGGU-UHFFFAOYSA-N 0 1 263.344 3.604 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H](C)Oc2ccccc2)c(C)s1 ZINC000678587721 1130432147 /nfs/dbraw/zinc/43/21/47/1130432147.db2.gz KWLAQTNIDOTFNL-NEPJUHHUSA-N 0 1 290.432 3.878 20 0 CHADMN Fc1ccc(F)c(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000678639283 1130443722 /nfs/dbraw/zinc/44/37/22/1130443722.db2.gz OVBHBMHADCZGBW-ZIAGYGMSSA-N 0 1 295.373 3.603 20 0 CHADMN Fc1ccc(F)c(CN2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000678639283 1130443728 /nfs/dbraw/zinc/44/37/28/1130443728.db2.gz OVBHBMHADCZGBW-ZIAGYGMSSA-N 0 1 295.373 3.603 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@H](c1cccnc1)C(C)C ZINC000678685525 1130446441 /nfs/dbraw/zinc/44/64/41/1130446441.db2.gz ISSCCFVHZKHKOW-KRWDZBQOSA-N 0 1 299.418 3.589 20 0 CHADMN CCc1c(C)cc(-c2cc3[nH]cnc3cn2)cc1C ZINC001240738295 1130447960 /nfs/dbraw/zinc/44/79/60/1130447960.db2.gz CAMMDPYECBMFEC-UHFFFAOYSA-N 0 1 251.333 3.804 20 0 CHADMN C[C@H](CCc1ccccc1)OC(=O)c1ccc2cncn2c1 ZINC000792553109 1130453098 /nfs/dbraw/zinc/45/30/98/1130453098.db2.gz OKRCJBNHSCZDAK-CQSZACIVSA-N 0 1 294.354 3.512 20 0 CHADMN C[C@H]1CCc2ccccc2[C@H]1NCc1ncccc1F ZINC000678773876 1130453407 /nfs/dbraw/zinc/45/34/07/1130453407.db2.gz BVWJDCLTOKXGHE-SJCJKPOMSA-N 0 1 270.351 3.634 20 0 CHADMN Cc1cc(CN[C@H](c2cccc(C)c2)C(C)(C)C)nn1C ZINC000678791687 1130457034 /nfs/dbraw/zinc/45/70/34/1130457034.db2.gz XFSGJFUQLIDKOP-QGZVFWFLSA-N 0 1 285.435 3.914 20 0 CHADMN CCN(CCc1cccs1)Cc1nc2c(s1)CCC2 ZINC000678817248 1130459718 /nfs/dbraw/zinc/45/97/18/1130459718.db2.gz YOTASLFXTQQXFF-UHFFFAOYSA-N 0 1 292.473 3.758 20 0 CHADMN [O-]c1ccc(-c2cc(N3CCCCC3)cc[nH+]2)cc1F ZINC001240783761 1130468961 /nfs/dbraw/zinc/46/89/61/1130468961.db2.gz YVEMVWAXGOEHSU-UHFFFAOYSA-N 0 1 272.323 3.584 20 0 CHADMN CC(C)CO[C@H]1C[C@H](NCc2cc(C(C)C)no2)C1(C)C ZINC000678926571 1130471771 /nfs/dbraw/zinc/47/17/71/1130471771.db2.gz CWPHPUWBTBELOP-HOTGVXAUSA-N 0 1 294.439 3.727 20 0 CHADMN Cc1nc(CN[C@H](C)Cc2ccccc2Cl)c(C)o1 ZINC001170248301 1130472670 /nfs/dbraw/zinc/47/26/70/1130472670.db2.gz OKFJBLZLJZSUGP-SNVBAGLBSA-N 0 1 278.783 3.666 20 0 CHADMN CCc1coc(CN[C@@H](C)Cc2ccccc2Cl)n1 ZINC001170247714 1130473017 /nfs/dbraw/zinc/47/30/17/1130473017.db2.gz LGSGAADCWWSVKI-NSHDSACASA-N 0 1 278.783 3.611 20 0 CHADMN CCCCO[C@H]1C[C@@H](NCc2cc(C(C)C)no2)C1(C)C ZINC000678928600 1130473478 /nfs/dbraw/zinc/47/34/78/1130473478.db2.gz QWKPCTASYMLRGU-CVEARBPZSA-N 0 1 294.439 3.871 20 0 CHADMN CN1CCc2c(F)cc(-c3ccc4cc[nH]c4c3)cc2C1 ZINC001240800305 1130478464 /nfs/dbraw/zinc/47/84/64/1130478464.db2.gz QUNWKOLHEZQXMN-UHFFFAOYSA-N 0 1 280.346 3.962 20 0 CHADMN C[C@H](Cc1ccccc1Cl)N1CCc2ncsc2C1 ZINC001170288318 1130480055 /nfs/dbraw/zinc/48/00/55/1130480055.db2.gz MWBLJRALZIYMBY-LLVKDONJSA-N 0 1 292.835 3.786 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NC1(c2ccc(F)cc2)CCC1 ZINC000679013865 1130483895 /nfs/dbraw/zinc/48/38/95/1130483895.db2.gz PKDCDORLYJMPFS-LBPRGKRZSA-N 0 1 287.382 3.598 20 0 CHADMN Cc1cnc(C(C)(C)N[C@@H]2CCc3ccccc32)s1 ZINC000679062959 1130489091 /nfs/dbraw/zinc/48/90/91/1130489091.db2.gz JZTIYOAITUPGMH-CQSZACIVSA-N 0 1 272.417 3.964 20 0 CHADMN CCCN(Cc1n[nH]c(C(C)C)n1)c1ccc(CC)cc1 ZINC001170375537 1130489376 /nfs/dbraw/zinc/48/93/76/1130489376.db2.gz FMVAVFKGCFTFTI-UHFFFAOYSA-N 0 1 286.423 3.907 20 0 CHADMN Cc1c(F)ccc(-c2ccc(N3CCN(C)CC3)cc2)c1C ZINC001240855378 1130492967 /nfs/dbraw/zinc/49/29/67/1130492967.db2.gz NDKNCTJEWRLWIM-UHFFFAOYSA-N 0 1 298.405 3.861 20 0 CHADMN CN1CCN(c2ccc(-c3cccc4c3CC=C4)cc2)CC1 ZINC001240854559 1130493349 /nfs/dbraw/zinc/49/33/49/1130493349.db2.gz DFCKANOEYCRZNW-UHFFFAOYSA-N 0 1 290.410 3.675 20 0 CHADMN COc1ccc(-c2nccc3c2ccn3C)cc1C ZINC001240862797 1130495217 /nfs/dbraw/zinc/49/52/17/1130495217.db2.gz MMZPDBUVEXTPQB-UHFFFAOYSA-N 0 1 252.317 3.557 20 0 CHADMN Cc1ccccc1[C@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000679128625 1130496112 /nfs/dbraw/zinc/49/61/12/1130496112.db2.gz XMXPARDYUFRSJK-AWEZNQCLSA-N 0 1 278.359 3.749 20 0 CHADMN Cc1ccccc1[C@@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000679128626 1130496715 /nfs/dbraw/zinc/49/67/15/1130496715.db2.gz XMXPARDYUFRSJK-CQSZACIVSA-N 0 1 278.359 3.749 20 0 CHADMN CC(C)=CCC[C@@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000679128798 1130496874 /nfs/dbraw/zinc/49/68/74/1130496874.db2.gz YMIYHHMOPQJMMS-CQSZACIVSA-N 0 1 270.380 3.814 20 0 CHADMN Cc1cc(NC(=O)CN(C)C(C)C)ccc1-c1ccccc1 ZINC000792824987 1130500629 /nfs/dbraw/zinc/50/06/29/1130500629.db2.gz KTPHRRODXMZNPG-UHFFFAOYSA-N 0 1 296.414 3.941 20 0 CHADMN c1cncc(Oc2ccc(-c3ccc4[nH]nnc4c3)cc2)c1 ZINC001240881300 1130501523 /nfs/dbraw/zinc/50/15/23/1130501523.db2.gz SXVMAQNILKBPHU-UHFFFAOYSA-N 0 1 288.310 3.812 20 0 CHADMN c1cncc(Oc2ccc(-c3ccc4nn[nH]c4c3)cc2)c1 ZINC001240881300 1130501526 /nfs/dbraw/zinc/50/15/26/1130501526.db2.gz SXVMAQNILKBPHU-UHFFFAOYSA-N 0 1 288.310 3.812 20 0 CHADMN O[C@H](C[C@@H]1CCCCC[N@H+]1CC1(F)CC1)c1cccs1 ZINC000792843389 1130503403 /nfs/dbraw/zinc/50/34/03/1130503403.db2.gz NCHQMZWQHXXPAN-UONOGXRCSA-N 0 1 297.439 3.918 20 0 CHADMN FC(F)(F)CC1CCN(Cc2ccc3c(c2)COC3)CC1 ZINC000792932790 1130508407 /nfs/dbraw/zinc/50/84/07/1130508407.db2.gz DGFJNZCNODWGIZ-UHFFFAOYSA-N 0 1 299.336 3.881 20 0 CHADMN CCc1cccc(F)c1CN[C@@H](CCO)c1cccs1 ZINC000792992972 1130510645 /nfs/dbraw/zinc/51/06/45/1130510645.db2.gz QHVIWEWYNZOOOJ-HNNXBMFYSA-N 0 1 293.407 3.663 20 0 CHADMN c1cc(C2=NCCC2)cc(-c2ccc3c(c2)OCO3)c1 ZINC001240902269 1130510883 /nfs/dbraw/zinc/51/08/83/1130510883.db2.gz WJKJEVAJSIBDGY-UHFFFAOYSA-N 0 1 265.312 3.665 20 0 CHADMN CCOC(=O)c1nc2ccc(-c3cc(F)ccc3C)cc2[nH]1 ZINC001240922619 1130518469 /nfs/dbraw/zinc/51/84/69/1130518469.db2.gz WOZZMVNATWCZFP-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CC=CCC1 ZINC000679359013 1130519956 /nfs/dbraw/zinc/51/99/56/1130519956.db2.gz LSRRMJSZOIRLTQ-UHFFFAOYSA-N 0 1 295.430 3.619 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H]2CC(C)(C)OC2(C)C)c(C)s1 ZINC000679359168 1130520503 /nfs/dbraw/zinc/52/05/03/1130520503.db2.gz KZFJCEPJDMPDTK-BXKDBHETSA-N 0 1 282.453 3.757 20 0 CHADMN C[C@H]1CCN(Cc2cccc(-c3ccccn3)c2)C[C@@H]1F ZINC000679360936 1130521886 /nfs/dbraw/zinc/52/18/86/1130521886.db2.gz QOAROGSQYXBQCU-YOEHRIQHSA-N 0 1 284.378 3.929 20 0 CHADMN CC[C@@H](C)n1ncc(N[C@@H](C)c2cn[nH]c2C)c1C1CC1 ZINC000679364404 1130522524 /nfs/dbraw/zinc/52/25/24/1130522524.db2.gz CYOAMWUIFBDWIH-MNOVXSKESA-N 0 1 287.411 3.936 20 0 CHADMN CC(C)(C)c1ccc(CN2CCC(OC3CCC3)CC2)[nH]1 ZINC001137371850 1130522608 /nfs/dbraw/zinc/52/26/08/1130522608.db2.gz AGUPKFICBCREFU-UHFFFAOYSA-N 0 1 290.451 3.846 20 0 CHADMN CC(C)[C@@H](CSc1ccccc1)NCc1cocn1 ZINC000679364249 1130522829 /nfs/dbraw/zinc/52/28/29/1130522829.db2.gz UKICUGXENDNEIP-OAHLLOKOSA-N 0 1 276.405 3.581 20 0 CHADMN Cc1ccccc1CNCc1nc2ccccc2nc1C ZINC000679395744 1130527920 /nfs/dbraw/zinc/52/79/20/1130527920.db2.gz YGKGJZXXYVFFLC-UHFFFAOYSA-N 0 1 277.371 3.536 20 0 CHADMN CC(C)OC(=O)c1cccc(-c2cccc3cncn32)c1 ZINC001240946636 1130529118 /nfs/dbraw/zinc/52/91/18/1130529118.db2.gz BUYUPYIXBXKANT-UHFFFAOYSA-N 0 1 280.327 3.567 20 0 CHADMN CC(C)(C)c1ccc(CN2CCC[C@@H](C(F)F)C2)[nH]1 ZINC001137376860 1130533442 /nfs/dbraw/zinc/53/34/42/1130533442.db2.gz SRBGMPLFLDCETM-LLVKDONJSA-N 0 1 270.367 3.789 20 0 CHADMN Fc1ncccc1CNCc1cccc2ccccc21 ZINC000793289525 1130538524 /nfs/dbraw/zinc/53/85/24/1130538524.db2.gz NDKQLWMBAIRYGC-UHFFFAOYSA-N 0 1 266.319 3.664 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1ccc2occc(=O)c2c1 ZINC001240967550 1130542404 /nfs/dbraw/zinc/54/24/04/1130542404.db2.gz CJIDRGKDTBDZNM-UHFFFAOYSA-N 0 1 276.295 3.645 20 0 CHADMN COc1ccccc1CN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679584060 1130543140 /nfs/dbraw/zinc/54/31/40/1130543140.db2.gz KFFFRXGAUYLQCI-YPMHNXCESA-N 0 1 287.325 3.858 20 0 CHADMN CCc1ncc(CN2C[C@H](C(F)(F)F)CC[C@@H]2C)s1 ZINC000679584142 1130543567 /nfs/dbraw/zinc/54/35/67/1130543567.db2.gz LQEMPVKVURUWOI-VHSXEESVSA-N 0 1 292.370 3.868 20 0 CHADMN CC1(C)Cc2cccc(CN3CCC(F)(F)CC3)c2O1 ZINC000793362321 1130545996 /nfs/dbraw/zinc/54/59/96/1130545996.db2.gz QJTAACGCUDMAHV-UHFFFAOYSA-N 0 1 281.346 3.631 20 0 CHADMN CC(C)Oc1ccccc1CN1CCC[C@H](OC(F)F)C1 ZINC000679679524 1130550590 /nfs/dbraw/zinc/55/05/90/1130550590.db2.gz TXOOZAREKFCKBI-AWEZNQCLSA-N 0 1 299.361 3.677 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N1CCC[C@@H](OC(F)F)C1)CC2 ZINC000679683585 1130552094 /nfs/dbraw/zinc/55/20/94/1130552094.db2.gz ZWEMWMUAGDCZHU-OCCSQVGLSA-N 0 1 285.309 3.517 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccccc2)c(N2CCCC2)n1 ZINC000679724021 1130553044 /nfs/dbraw/zinc/55/30/44/1130553044.db2.gz PRLANMYIYPQHIX-INIZCTEOSA-N 0 1 295.430 3.841 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)c2cc(C)sc2C)c1 ZINC000679725628 1130553238 /nfs/dbraw/zinc/55/32/38/1130553238.db2.gz SMKQSLGLGSFWMD-UHFFFAOYSA-N 0 1 289.356 3.525 20 0 CHADMN CCC(CC)(CC)C(=O)Nc1cc(C(C)=O)ccc1O ZINC000679725577 1130553487 /nfs/dbraw/zinc/55/34/87/1130553487.db2.gz PTPJNUAMEMBXCB-UHFFFAOYSA-N 0 1 277.364 3.750 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(F)c(F)c2)C(C)C)ncn1 ZINC000679770996 1130557235 /nfs/dbraw/zinc/55/72/35/1130557235.db2.gz QAQSPOLTGDQSDG-INIZCTEOSA-N 0 1 291.345 3.550 20 0 CHADMN CSc1ccc(CN(Cc2ccncc2)C2CC2)cc1 ZINC000679847018 1130559752 /nfs/dbraw/zinc/55/97/52/1130559752.db2.gz JKVHHCGENADDHX-UHFFFAOYSA-N 0 1 284.428 3.968 20 0 CHADMN Oc1ccccc1-c1ncc(F)c(-c2ccsc2)n1 ZINC001241008568 1130563543 /nfs/dbraw/zinc/56/35/43/1130563543.db2.gz ILKHFIGCBYPCKR-UHFFFAOYSA-N 0 1 272.304 3.717 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc3[nH]c(C)c(C)c3c2)n(C)n1 ZINC000793528912 1130564175 /nfs/dbraw/zinc/56/41/75/1130564175.db2.gz RKCJDLCMMAAUHZ-AWEZNQCLSA-N 0 1 296.418 3.677 20 0 CHADMN Cc1cc([C@@H](C)NCc2c(C)oc3ccccc32)n(C)n1 ZINC000793550303 1130568860 /nfs/dbraw/zinc/56/88/60/1130568860.db2.gz DVARECWMEQDFIS-GFCCVEGCSA-N 0 1 283.375 3.634 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(C3CCC3)cc2)n(C)n1 ZINC000793559240 1130569437 /nfs/dbraw/zinc/56/94/37/1130569437.db2.gz ZHCXUUBOJPRUEJ-AWEZNQCLSA-N 0 1 283.419 3.847 20 0 CHADMN CCOc1cc(F)cc(-c2ccc3nc[nH]c3c2)c1 ZINC001241024684 1130570428 /nfs/dbraw/zinc/57/04/28/1130570428.db2.gz FURPNCXZQBMDPU-UHFFFAOYSA-N 0 1 256.280 3.768 20 0 CHADMN CC[C@@H](OC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000758138433 1130600536 /nfs/dbraw/zinc/60/05/36/1130600536.db2.gz OXZTVJXVMBPFNX-CZUORRHYSA-N 0 1 284.359 3.524 20 0 CHADMN CCC[C@H]1CCCCN1Cc1c(Cl)nccc1N(C)C ZINC001234134657 1130610972 /nfs/dbraw/zinc/61/09/72/1130610972.db2.gz XGEFGFQSLNJDQT-ZDUSSCGKSA-N 0 1 295.858 3.956 20 0 CHADMN Fc1ccc(CCN2CCC(F)(F)CC2)c(Cl)c1 ZINC000811499974 1130613160 /nfs/dbraw/zinc/61/31/60/1130613160.db2.gz WMEZIEUTLJFRLP-UHFFFAOYSA-N 0 1 277.717 3.753 20 0 CHADMN CSC1(CNc2ccc(CN(C)C)c(F)c2)CCC1 ZINC000811471093 1130614298 /nfs/dbraw/zinc/61/42/98/1130614298.db2.gz CUKOMCARXNIGJU-UHFFFAOYSA-N 0 1 282.428 3.585 20 0 CHADMN CCC(=CC(=O)Nc1ccc2nc(C)[nH]c2c1)CC ZINC000759120194 1130637073 /nfs/dbraw/zinc/63/70/73/1130637073.db2.gz JPYYPRIRSPYIRZ-UHFFFAOYSA-N 0 1 257.337 3.556 20 0 CHADMN CCS[C@H]1CCCC[C@@H]1NCc1nc(Cl)cs1 ZINC000759188467 1130642025 /nfs/dbraw/zinc/64/20/25/1130642025.db2.gz AVRRRHKMMBOCBM-UWVGGRQHSA-N 0 1 290.885 3.950 20 0 CHADMN CC(C)(C)C1=CCN(C[C@H](O)c2ccccc2F)CC1 ZINC000759268466 1130648261 /nfs/dbraw/zinc/64/82/61/1130648261.db2.gz LBFJBUBQSCXQTE-INIZCTEOSA-N 0 1 277.383 3.537 20 0 CHADMN O[C@H](CN1CC2(CCC2)[C@H]1C1CC1)c1cccc(Cl)c1 ZINC000811821416 1130650419 /nfs/dbraw/zinc/65/04/19/1130650419.db2.gz DYQVJKSODGROGA-HZPDHXFCSA-N 0 1 291.822 3.638 20 0 CHADMN CC1(C)CCC[C@@H]1C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001133191266 1130673138 /nfs/dbraw/zinc/67/31/38/1130673138.db2.gz ZMUJWORVXNWRKS-SNVBAGLBSA-N 0 1 291.782 3.981 20 0 CHADMN Cc1cc(CNc2cc3c(cn2)CCCC3)c(C)o1 ZINC000812345503 1130686626 /nfs/dbraw/zinc/68/66/26/1130686626.db2.gz BLLOZJIDVRQCOX-UHFFFAOYSA-N 0 1 256.349 3.782 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccc([C@H](C)O)cc1 ZINC000780719608 1130687724 /nfs/dbraw/zinc/68/77/24/1130687724.db2.gz IHBHLAIERFPKPF-KGLIPLIRSA-N 0 1 284.403 3.548 20 0 CHADMN COCC[C@H](N[C@H]1CCc2cc(C)ccc21)c1ccco1 ZINC000780744064 1130689952 /nfs/dbraw/zinc/68/99/52/1130689952.db2.gz JQJZEECRKONFQM-IRXDYDNUSA-N 0 1 285.387 3.943 20 0 CHADMN Cc1nnc(CN[C@H](C)CCC2CCCCC2)s1 ZINC000780743750 1130689999 /nfs/dbraw/zinc/68/99/99/1130689999.db2.gz IQNRCZRURGFCCM-LLVKDONJSA-N 0 1 267.442 3.685 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1ccc(Oc2cccnc2)cc1 ZINC001235111387 1130712383 /nfs/dbraw/zinc/71/23/83/1130712383.db2.gz HRRVZIQESBNIQE-UKRRQHHQSA-N 0 1 286.350 3.806 20 0 CHADMN FC(F)(F)c1cncc(CN2CC[C@H](c3ccco3)C2)c1 ZINC000812826759 1130717161 /nfs/dbraw/zinc/71/71/61/1130717161.db2.gz VGHMSOONMYOAEM-LBPRGKRZSA-N 0 1 296.292 3.683 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)/C=C(/C)C(C)(C)C)c1 ZINC000781430470 1130717317 /nfs/dbraw/zinc/71/73/17/1130717317.db2.gz GNGONCCDQZPLFR-NTMALXAHSA-N 0 1 275.348 3.526 20 0 CHADMN C[C@@]1(F)CCCN([C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170688578 1130719678 /nfs/dbraw/zinc/71/96/78/1130719678.db2.gz AKXIEDRJFXWGIE-CZUORRHYSA-N 0 1 283.337 3.646 20 0 CHADMN COC[C@@]12CCC[C@@H]1CN(Cc1c(F)cc(C)cc1F)C2 ZINC001235194914 1130722194 /nfs/dbraw/zinc/72/21/94/1130722194.db2.gz RYCJGORCAUWBIH-DYVFJYSZSA-N 0 1 295.373 3.522 20 0 CHADMN Cc1cc(F)c(CN2C[C@H](C)CC23CC3)c(F)c1 ZINC001235199687 1130722518 /nfs/dbraw/zinc/72/25/18/1130722518.db2.gz UXAVLTUTFWTJKZ-LLVKDONJSA-N 0 1 251.320 3.648 20 0 CHADMN CC(C)(C)c1nnc(CN[C@@H]2CCCCC23CCCC3)o1 ZINC000812876616 1130722902 /nfs/dbraw/zinc/72/29/02/1130722902.db2.gz IKLUNWUVUDYRCB-CYBMUJFWSA-N 0 1 291.439 3.960 20 0 CHADMN CCOCC1CCN(Cc2cc3cccc(F)c3[nH]2)CC1 ZINC001235245695 1130727998 /nfs/dbraw/zinc/72/79/98/1130727998.db2.gz BHDRUQXIMPONBX-UHFFFAOYSA-N 0 1 290.382 3.556 20 0 CHADMN CCc1cccc(CN(C)Cc2ccccc2C)n1 ZINC001235258119 1130729804 /nfs/dbraw/zinc/72/98/04/1130729804.db2.gz NNNCZYATRVDXRF-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN CCOc1cc(O)cc(CN(CC)Cc2cccs2)c1 ZINC001235400728 1130739181 /nfs/dbraw/zinc/73/91/81/1130739181.db2.gz JEOWRDSYVNNHIG-UHFFFAOYSA-N 0 1 291.416 3.875 20 0 CHADMN Cc1cc(OC(C)C)ncc1C[N@@H+](C)Cc1cccs1 ZINC001235420165 1130742297 /nfs/dbraw/zinc/74/22/97/1130742297.db2.gz CCGCVGZLSXUVBU-UHFFFAOYSA-N 0 1 290.432 3.871 20 0 CHADMN Cc1cc(OC(C)C)ncc1CN(C)Cc1cccs1 ZINC001235420165 1130742303 /nfs/dbraw/zinc/74/23/03/1130742303.db2.gz CCGCVGZLSXUVBU-UHFFFAOYSA-N 0 1 290.432 3.871 20 0 CHADMN COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)cc(F)c1F ZINC001235435415 1130743089 /nfs/dbraw/zinc/74/30/89/1130743089.db2.gz VXHXSRMHRBTXFN-NEPJUHHUSA-N 0 1 283.362 3.841 20 0 CHADMN COc1cc(CN2CC[C@H](C)C[C@@H]2C)cc(F)c1F ZINC001235451917 1130745435 /nfs/dbraw/zinc/74/54/35/1130745435.db2.gz UHNLOXKXSFZWJL-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN CCc1cc(CN[C@@H](c2ccc(F)c(F)c2)C(C)C)[nH]n1 ZINC000781896474 1130745957 /nfs/dbraw/zinc/74/59/57/1130745957.db2.gz LGARMBPRAKORAF-MRXNPFEDSA-N 0 1 293.361 3.737 20 0 CHADMN CN(C)c1cc(CN2CCCCC[C@@H]2c2ccco2)ccn1 ZINC000782175765 1130758700 /nfs/dbraw/zinc/75/87/00/1130758700.db2.gz MFTBBZLPOXTMAL-MRXNPFEDSA-N 0 1 299.418 3.858 20 0 CHADMN C[C@@H](N[C@H]1CCCc2ccccc21)c1cn2c(n1)CCCC2 ZINC000813323917 1130758781 /nfs/dbraw/zinc/75/87/81/1130758781.db2.gz WXLOPEFTDKVSNC-PBHICJAKSA-N 0 1 295.430 3.948 20 0 CHADMN C[C@@H]1CCCN(Cc2cccn2C(=O)OC(C)(C)C)[C@H]1C ZINC001235632831 1130760695 /nfs/dbraw/zinc/76/06/95/1130760695.db2.gz RRTDXGUVSYLPLI-KGLIPLIRSA-N 0 1 292.423 3.892 20 0 CHADMN Nc1ccc(F)c(CN2CCC[C@@H]2c2ccccc2)c1F ZINC001235673955 1130766229 /nfs/dbraw/zinc/76/62/29/1130766229.db2.gz JQXYFZRYGPJCKI-MRXNPFEDSA-N 0 1 288.341 3.884 20 0 CHADMN Cc1ncn(C)c1Nc1c(F)c(F)ccc1OC(C)C ZINC001215074189 1130772868 /nfs/dbraw/zinc/77/28/68/1130772868.db2.gz RWFWWEUEYJQZKU-UHFFFAOYSA-N 0 1 281.306 3.538 20 0 CHADMN C[C@@H]1CCN1Cc1ccc(OCc2ccccc2)c(F)c1 ZINC001235765703 1130778827 /nfs/dbraw/zinc/77/88/27/1130778827.db2.gz NQUUBQQVSXHEFU-CQSZACIVSA-N 0 1 285.362 3.999 20 0 CHADMN Cc1cc(Br)cc(C)c1CN1CC[C@@H]1C ZINC001235781885 1130779127 /nfs/dbraw/zinc/77/91/27/1130779127.db2.gz TWDQZYINMGIEFN-NSHDSACASA-N 0 1 268.198 3.660 20 0 CHADMN Fc1ccccc1-n1ccc(CN2CCC3(CCCC3)C2)n1 ZINC000782503885 1130780930 /nfs/dbraw/zinc/78/09/30/1130780930.db2.gz MKXKTEDAGZQODP-UHFFFAOYSA-N 0 1 299.393 3.778 20 0 CHADMN COc1c(C)cc(CNCc2occc2C)cc1C ZINC000813790012 1130784323 /nfs/dbraw/zinc/78/43/23/1130784323.db2.gz CGFGEESGTWNMOA-UHFFFAOYSA-N 0 1 259.349 3.503 20 0 CHADMN CCCc1nc(C)c(CNCc2cncc3ccccc32)o1 ZINC000813791751 1130784354 /nfs/dbraw/zinc/78/43/54/1130784354.db2.gz DTXCFLSEOXVTBI-UHFFFAOYSA-N 0 1 295.386 3.774 20 0 CHADMN C[C@]1(F)CCCN(C[C@H](O)c2cccc3ccccc32)C1 ZINC000830212218 1130791290 /nfs/dbraw/zinc/79/12/90/1130791290.db2.gz MHKRKRREOWVSJK-ROUUACIJSA-N 0 1 287.378 3.697 20 0 CHADMN CC[C@H](N[C@@H](C)c1nccnc1C)c1ccc(F)cc1 ZINC000783228615 1130804245 /nfs/dbraw/zinc/80/42/45/1130804245.db2.gz AQIRMVIWLXISEJ-WFASDCNBSA-N 0 1 273.355 3.726 20 0 CHADMN C[C@H](CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1)C(C)(C)C ZINC000783245977 1130806236 /nfs/dbraw/zinc/80/62/36/1130806236.db2.gz QOVNLXFSOUKVNB-IUODEOHRSA-N 0 1 289.398 3.910 20 0 CHADMN COc1ccccc1[C@H](N[C@@H]1CC[C@H]1C)c1ccco1 ZINC000783255846 1130807694 /nfs/dbraw/zinc/80/76/94/1130807694.db2.gz YTVDAEAHMOZAHM-MRRJBJDNSA-N 0 1 271.360 3.766 20 0 CHADMN COc1ccccc1[C@H](N[C@H]1CC[C@H]1C)c1ccco1 ZINC000783255843 1130807961 /nfs/dbraw/zinc/80/79/61/1130807961.db2.gz YTVDAEAHMOZAHM-IFIJOSMWSA-N 0 1 271.360 3.766 20 0 CHADMN C[C@@H]1CC[C@H]1N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000783259389 1130808312 /nfs/dbraw/zinc/80/83/12/1130808312.db2.gz CBXAGDKMYXYIPU-SRCQZFHVSA-N 0 1 270.351 3.698 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1n[nH]c2cc(N)ccc21 ZINC001235959323 1130816541 /nfs/dbraw/zinc/81/65/41/1130816541.db2.gz HMGCNDUJKOHTPN-GOSISDBHSA-N 0 1 294.402 3.728 20 0 CHADMN Cc1ccc([C@H](C)Nc2cccc3[nH]nnc32)c(C)c1 ZINC001170724866 1130822424 /nfs/dbraw/zinc/82/24/24/1130822424.db2.gz FICJVZMJOAFSOO-LBPRGKRZSA-N 0 1 266.348 3.748 20 0 CHADMN Oc1c(F)cc(F)c(-c2ncnc3cc(F)ccc32)c1F ZINC001235984377 1130823242 /nfs/dbraw/zinc/82/32/42/1130823242.db2.gz DXYWWWIMPYZSNV-UHFFFAOYSA-N 0 1 294.207 3.559 20 0 CHADMN Oc1c(F)cc(F)c(-c2ncccc2-n2cccc2)c1F ZINC001235990152 1130824453 /nfs/dbraw/zinc/82/44/53/1130824453.db2.gz OFZLTKVIAJKQRP-UHFFFAOYSA-N 0 1 290.244 3.662 20 0 CHADMN CN(C)c1cc(F)cc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235995425 1130825614 /nfs/dbraw/zinc/82/56/14/1130825614.db2.gz OANDVYPMHHAQRV-UHFFFAOYSA-N 0 1 285.240 3.682 20 0 CHADMN Cn1ccc2cc(-c3c(F)cc(F)c(O)c3F)ccc21 ZINC001235997528 1130827272 /nfs/dbraw/zinc/82/72/72/1130827272.db2.gz PLCQPSADSVDYRJ-UHFFFAOYSA-N 0 1 277.245 3.968 20 0 CHADMN COc1ccc(-c2c(F)cc(F)c(O)c2F)c2[nH]ccc21 ZINC001235998396 1130827596 /nfs/dbraw/zinc/82/75/96/1130827596.db2.gz MUVSLRWKJFNXPT-UHFFFAOYSA-N 0 1 293.244 3.966 20 0 CHADMN Oc1c(F)cc(F)c(-c2cccc3[nH]ccc32)c1F ZINC001235996522 1130827609 /nfs/dbraw/zinc/82/76/09/1130827609.db2.gz VXHKNTDMYPZVDJ-UHFFFAOYSA-N 0 1 263.218 3.958 20 0 CHADMN C=COc1ccc(-c2c(F)cc(F)c(O)c2F)cc1 ZINC001236000804 1130830128 /nfs/dbraw/zinc/83/01/28/1130830128.db2.gz WPKMCXYAAAANPW-UHFFFAOYSA-N 0 1 266.218 3.999 20 0 CHADMN Oc1c(F)cc(F)c(-c2cccc3c2CCCO3)c1F ZINC001236001028 1130830457 /nfs/dbraw/zinc/83/04/57/1130830457.db2.gz RTDCYTCVBCGKFG-UHFFFAOYSA-N 0 1 280.245 3.802 20 0 CHADMN Cc1cc(CN2Cc3ccccc3O[C@@H](C)C2)c(C)o1 ZINC000814177967 1130835175 /nfs/dbraw/zinc/83/51/75/1130835175.db2.gz XCLITTBQJMZMOW-ZDUSSCGKSA-N 0 1 271.360 3.680 20 0 CHADMN NCc1ncc(-c2ccc(C3CCCCC3)cc2)cn1 ZINC001236099757 1130862323 /nfs/dbraw/zinc/86/23/23/1130862323.db2.gz WAUAXFMUHIKYRZ-UHFFFAOYSA-N 0 1 267.376 3.650 20 0 CHADMN Cc1cc(CN2CCc3cc(N)ccc3C2)cc(C)c1F ZINC001236105532 1130864066 /nfs/dbraw/zinc/86/40/66/1130864066.db2.gz JKHPUMHPRJZOCS-UHFFFAOYSA-N 0 1 284.378 3.583 20 0 CHADMN Cc1ccc(Cl)cc1CN1CCc2cc(N)ccc2C1 ZINC001236105489 1130864911 /nfs/dbraw/zinc/86/49/11/1130864911.db2.gz IYZAHOUDNVLOJI-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN Nc1ccc2c(c1)CCN(Cc1coc3ccc(F)cc13)C2 ZINC001236106380 1130865003 /nfs/dbraw/zinc/86/50/03/1130865003.db2.gz UDRPQRMXWLGUAA-UHFFFAOYSA-N 0 1 296.345 3.712 20 0 CHADMN CCOc1cc(CN2CCc3cc(N)ccc3C2)ccc1C ZINC001236108951 1130865747 /nfs/dbraw/zinc/86/57/47/1130865747.db2.gz OBLRVVKAQXGBDI-UHFFFAOYSA-N 0 1 296.414 3.534 20 0 CHADMN Cc1c(Cl)c(-c2cc3[nH]ccc3c[nH+]2)ccc1C(=O)[O-] ZINC001236109579 1130866853 /nfs/dbraw/zinc/86/68/53/1130866853.db2.gz VSUVBTKOIHBBCS-UHFFFAOYSA-N 0 1 286.718 3.890 20 0 CHADMN Cc1nc2ccc(-c3cccnc3N3CCCC3)cc2[nH]1 ZINC001236124283 1130870589 /nfs/dbraw/zinc/87/05/89/1130870589.db2.gz VYPGINPQECKRID-UHFFFAOYSA-N 0 1 278.359 3.534 20 0 CHADMN CCCCCCc1csc(CN2CC[C@H]2NC)c1 ZINC001236166602 1130877643 /nfs/dbraw/zinc/87/76/43/1130877643.db2.gz HYWSQBGAUCBIFN-HNNXBMFYSA-N 0 1 266.454 3.622 20 0 CHADMN CN[C@H]1CCN1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001236168178 1130878095 /nfs/dbraw/zinc/87/80/95/1130878095.db2.gz UNMBIDCCSOURFI-GOSISDBHSA-N 0 1 291.398 3.586 20 0 CHADMN CN(Cc1n[nH]c(C(C)(C)C)n1)c1ccc2ccccc2c1 ZINC000814618011 1130889215 /nfs/dbraw/zinc/88/92/15/1130889215.db2.gz URGXRMOMHNNKBN-UHFFFAOYSA-N 0 1 294.402 3.892 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1cncc2ccccc21 ZINC000784221075 1130892308 /nfs/dbraw/zinc/89/23/08/1130892308.db2.gz CUJZVGPMCHTTPM-AWEZNQCLSA-N 0 1 277.371 3.823 20 0 CHADMN CC1(C)[C@@H]2C[C@@H](N3Cc4cnn(-c5ccccc5)c4C3)C[C@@H]21 ZINC001170763733 1130906967 /nfs/dbraw/zinc/90/69/67/1130906967.db2.gz CGWBEZDBORGHGH-OSYLJGHBSA-N 0 1 293.414 3.623 20 0 CHADMN CC(C)C(=O)Nc1ccc(-c2ccc3cncn3c2)cc1 ZINC001236259752 1130908113 /nfs/dbraw/zinc/90/81/13/1130908113.db2.gz AOJDLEYSKZGUKU-UHFFFAOYSA-N 0 1 279.343 3.596 20 0 CHADMN CC(C)Oc1c(F)ccc(-c2nccc3[nH]cnc32)c1F ZINC001236341582 1130916583 /nfs/dbraw/zinc/91/65/83/1130916583.db2.gz ZYGNPALPUBRDGR-UHFFFAOYSA-N 0 1 289.285 3.690 20 0 CHADMN CC(C)Oc1c(F)ccc(-c2cccc3[nH]nnc32)c1F ZINC001236362527 1130919054 /nfs/dbraw/zinc/91/90/54/1130919054.db2.gz XSLOKXVJKTZVMU-UHFFFAOYSA-N 0 1 289.285 3.690 20 0 CHADMN CC1=C(Br)CN(CC2(C)CCC2)CC1 ZINC000797605716 1130998755 /nfs/dbraw/zinc/99/87/55/1130998755.db2.gz VPVSFGWYEYUZMB-UHFFFAOYSA-N 0 1 258.203 3.551 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc(C(C)C)nc1OC ZINC001236444940 1130943322 /nfs/dbraw/zinc/94/33/22/1130943322.db2.gz RQRHKQNCHLMXTO-UHFFFAOYSA-N 0 1 297.358 3.766 20 0 CHADMN CC1(C)Cc2cc(N[C@H]3CCCc4[nH]ncc43)ccc2O1 ZINC000796921276 1130945835 /nfs/dbraw/zinc/94/58/35/1130945835.db2.gz BZOUDIDLYONHHG-AWEZNQCLSA-N 0 1 283.375 3.613 20 0 CHADMN CC(C)(C)C[N@H+](Cc1ccc([S-])cc1)C1CCNCC1 ZINC001236458863 1130947253 /nfs/dbraw/zinc/94/72/53/1130947253.db2.gz BIXVXOWESDSNKH-UHFFFAOYSA-N 0 1 292.492 3.575 20 0 CHADMN CC(C)(C)C[N@@H+](Cc1ccc([S-])cc1)C1CCNCC1 ZINC001236458863 1130947256 /nfs/dbraw/zinc/94/72/56/1130947256.db2.gz BIXVXOWESDSNKH-UHFFFAOYSA-N 0 1 292.492 3.575 20 0 CHADMN CCCCN(C)Cc1c(C)cc(Cl)nc1Cl ZINC001236600109 1130982292 /nfs/dbraw/zinc/98/22/92/1130982292.db2.gz UZSZDPGOIPZVNM-UHFFFAOYSA-N 0 1 261.196 3.929 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccnc(Br)c1 ZINC000815036164 1130954034 /nfs/dbraw/zinc/95/40/34/1130954034.db2.gz RVBYKGFWYSFBRX-LBPRGKRZSA-N 0 1 297.240 3.855 20 0 CHADMN CC(C)(C)[C@@H]1CCCN1Cc1ccnc(Br)c1 ZINC000815036164 1130954041 /nfs/dbraw/zinc/95/40/41/1130954041.db2.gz RVBYKGFWYSFBRX-LBPRGKRZSA-N 0 1 297.240 3.855 20 0 CHADMN Cc1ccc(-c2cc(F)c3c(c2)CN(C)CC3)c2c[nH]nc21 ZINC001236506696 1130959237 /nfs/dbraw/zinc/95/92/37/1130959237.db2.gz RZENJDHRZXEOGF-UHFFFAOYSA-N 0 1 295.361 3.665 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cnn(C)c1Cl)CCC2 ZINC000815140691 1130966152 /nfs/dbraw/zinc/96/61/52/1130966152.db2.gz GQFYNNRITPMOHL-HNNXBMFYSA-N 0 1 289.810 3.549 20 0 CHADMN CCOc1ccc(C)c(F)c1-c1cc2[nH]cnc2nc1C ZINC001236537521 1130967806 /nfs/dbraw/zinc/96/78/06/1130967806.db2.gz NDOCMLGPCCOVGZ-UHFFFAOYSA-N 0 1 285.322 3.780 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1ccnc(OC(C)C)c1 ZINC001236558245 1130974555 /nfs/dbraw/zinc/97/45/55/1130974555.db2.gz GANMPVHLNGDZRP-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN COc1nscc1CN1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC001170782102 1130977214 /nfs/dbraw/zinc/97/72/14/1130977214.db2.gz DTTNDJHDNNOHGM-WCQYABFASA-N 0 1 282.453 3.798 20 0 CHADMN COc1nscc1CN1CC[C@H](C(C)(C)C)C[C@H]1C ZINC001170782103 1130977930 /nfs/dbraw/zinc/97/79/30/1130977930.db2.gz DTTNDJHDNNOHGM-YPMHNXCESA-N 0 1 282.453 3.798 20 0 CHADMN CCCC[N@@H+](C)Cc1c(C)cc(Cl)nc1Cl ZINC001236600109 1130982289 /nfs/dbraw/zinc/98/22/89/1130982289.db2.gz UZSZDPGOIPZVNM-UHFFFAOYSA-N 0 1 261.196 3.929 20 0 CHADMN Cc1c(Br)cccc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001236606638 1130983721 /nfs/dbraw/zinc/98/37/21/1130983721.db2.gz IWDWOIZXHUNCQA-SGMGOOAPSA-N 0 1 298.199 3.690 20 0 CHADMN Fc1cc(CN2CC3(C2)CCCCC3)c2c(c1)CCCO2 ZINC001236630681 1130985577 /nfs/dbraw/zinc/98/55/77/1130985577.db2.gz ULOOOPHGMVSKFX-UHFFFAOYSA-N 0 1 289.394 3.917 20 0 CHADMN Fc1cc(CN2CCC[C@@H](C(F)F)C2)c2c(c1)CCCO2 ZINC001236629645 1130985653 /nfs/dbraw/zinc/98/56/53/1130985653.db2.gz MQCXCRQUDUMIAU-GFCCVEGCSA-N 0 1 299.336 3.628 20 0 CHADMN COc1ccc2sc(CN3C[C@@H]4C[C@@H]4[C@H](F)C3)cc2c1 ZINC001236656895 1130989994 /nfs/dbraw/zinc/98/99/94/1130989994.db2.gz YLFWTBCROJYRBI-TUKIKUTGSA-N 0 1 291.391 3.700 20 0 CHADMN CC1(C)CCCN1Cc1ccc(Br)c(O)c1 ZINC001236691631 1130994223 /nfs/dbraw/zinc/99/42/23/1130994223.db2.gz JCSFNJGJQFGQFC-UHFFFAOYSA-N 0 1 284.197 3.529 20 0 CHADMN C[C@@H]1CN(Cc2cccc3sccc32)C[C@@H](C)O1 ZINC001236684158 1130994969 /nfs/dbraw/zinc/99/49/69/1130994969.db2.gz ZFJZFQAWAJKMKX-VXGBXAGGSA-N 0 1 261.390 3.511 20 0 CHADMN CN(Cc1ccc(Cl)cc1)Cc1ccc(F)c(O)c1 ZINC001236705622 1130995440 /nfs/dbraw/zinc/99/54/40/1130995440.db2.gz NSADHBCPJDKYFZ-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN [O-]c1cc(C[NH+]2CCC(c3ccccc3)CC2)ccc1F ZINC001236699672 1130996158 /nfs/dbraw/zinc/99/61/58/1130996158.db2.gz QYBUDOLMLOCAJS-UHFFFAOYSA-N 0 1 285.362 3.911 20 0 CHADMN CCCC1CCN(Cc2cnc(OCC)c(F)c2)CC1 ZINC001236692541 1130996166 /nfs/dbraw/zinc/99/61/66/1130996166.db2.gz GGKAPXIWPBGTJQ-UHFFFAOYSA-N 0 1 280.387 3.632 20 0 CHADMN CCOc1ncc(CN(C)Cc2ccccc2C)cc1F ZINC001236695156 1130996211 /nfs/dbraw/zinc/99/62/11/1130996211.db2.gz XNGNUSDVFUOLHD-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN Fc1cc(OC(F)F)ccc1CN1CCC12CCCC2 ZINC001236716905 1130997454 /nfs/dbraw/zinc/99/74/54/1130997454.db2.gz AGUMYMZGTOTHLR-UHFFFAOYSA-N 0 1 285.309 3.946 20 0 CHADMN Cc1c(F)ccc(CN2C[C@@H]3C(=O)CCC[C@@H]3C2)c1Cl ZINC001236712935 1130998209 /nfs/dbraw/zinc/99/82/09/1130998209.db2.gz CAGGQUZGEKTGRV-YPMHNXCESA-N 0 1 295.785 3.589 20 0 CHADMN Cc1c(F)ccc(CN2CCC(CF)CC2)c1Cl ZINC001236717409 1130998769 /nfs/dbraw/zinc/99/87/69/1130998769.db2.gz DOXFOUVJMWPKEN-UHFFFAOYSA-N 0 1 273.754 3.969 20 0 CHADMN Cc1ccn2cc(CN[C@@H](C)c3ccc(F)cc3C)nc2c1 ZINC000815576505 1131001937 /nfs/dbraw/zinc/00/19/37/1131001937.db2.gz RQYXHZDCAQPWQE-AWEZNQCLSA-N 0 1 297.377 3.941 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1nn(C)c2ccccc12 ZINC000815616269 1131009172 /nfs/dbraw/zinc/00/91/72/1131009172.db2.gz KEAZMWHCKRFPIP-ZDUSSCGKSA-N 0 1 297.377 3.872 20 0 CHADMN COc1cc(CN2CCC[C@@H]3CCC[C@@H]32)c(F)cc1F ZINC001236823512 1131014216 /nfs/dbraw/zinc/01/42/16/1131014216.db2.gz AMPULUAZIAFFOD-NHYWBVRUSA-N 0 1 281.346 3.738 20 0 CHADMN Clc1cc2ccccc2nc1CN1C[C@H]2CC[C@@H]1C2 ZINC001236872710 1131026738 /nfs/dbraw/zinc/02/67/38/1131026738.db2.gz AEVWJAIUIZUBNW-WCQYABFASA-N 0 1 272.779 3.873 20 0 CHADMN Cc1cc([C@H]2CCCN2c2ccnc(C)c2Cl)no1 ZINC000798387353 1131035626 /nfs/dbraw/zinc/03/56/26/1131035626.db2.gz FAAWBSZTSBLWQB-GFCCVEGCSA-N 0 1 277.755 3.681 20 0 CHADMN CC(C)(C)Oc1ccccc1CN1CC(c2cccnc2)C1 ZINC001237032081 1131037841 /nfs/dbraw/zinc/03/78/41/1131037841.db2.gz ORHJABUZLHQJQK-UHFFFAOYSA-N 0 1 296.414 3.858 20 0 CHADMN Cc1nn(C(C)C)cc1CNCc1c(C)cccc1F ZINC000798492408 1131039634 /nfs/dbraw/zinc/03/96/34/1131039634.db2.gz DINRXQKTMRNZBW-UHFFFAOYSA-N 0 1 275.371 3.510 20 0 CHADMN Cc1cc(Br)c(CN2CCC(C)CC2)cc1O ZINC001237295776 1131078732 /nfs/dbraw/zinc/07/87/32/1131078732.db2.gz YYRPWKGQTSUYDH-UHFFFAOYSA-N 0 1 298.224 3.695 20 0 CHADMN CCCc1ccc(NC(=O)c2cccc3nc[nH]c32)cc1 ZINC001135331909 1131045032 /nfs/dbraw/zinc/04/50/32/1131045032.db2.gz CFFFJEOIRVEYHZ-UHFFFAOYSA-N 0 1 279.343 3.768 20 0 CHADMN C[C@@H]1CCN(Cc2cc(O)cc3ccccc32)C[C@H]1F ZINC001237065612 1131045530 /nfs/dbraw/zinc/04/55/30/1131045530.db2.gz OCEOIFNVCNFBOT-SJKOYZFVSA-N 0 1 273.351 3.725 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1ccc(C3CCC3)cc1)C2 ZINC001237108108 1131050270 /nfs/dbraw/zinc/05/02/70/1131050270.db2.gz QHDOLZRSLQPAJW-ROUUACIJSA-N 0 1 271.404 3.707 20 0 CHADMN Clc1cccc2c(CN3CC4(CCC4)C3)ccnc12 ZINC001237150172 1131058720 /nfs/dbraw/zinc/05/87/20/1131058720.db2.gz OCDPSEZCICVFJN-UHFFFAOYSA-N 0 1 272.779 3.874 20 0 CHADMN CN(C)Cc1ccc(N[C@@H]2CCCc3cccnc32)cc1F ZINC000798932390 1131062467 /nfs/dbraw/zinc/06/24/67/1131062467.db2.gz LEJGWBCCASIVGP-QGZVFWFLSA-N 0 1 299.393 3.772 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2c(F)ccc(N)c2F)CC1 ZINC001237186980 1131066764 /nfs/dbraw/zinc/06/67/64/1131066764.db2.gz AXEURNDYFSICQX-XYPYZODXSA-N 0 1 268.351 3.558 20 0 CHADMN COc1cccc(CN2CC[C@](C)(CF)C2)c1Cl ZINC001237185335 1131067320 /nfs/dbraw/zinc/06/73/20/1131067320.db2.gz MXLSJUMNZOFKHL-CQSZACIVSA-N 0 1 271.763 3.530 20 0 CHADMN COc1cccc(CN2CCC(CF)CC2)c1Cl ZINC001237193293 1131069353 /nfs/dbraw/zinc/06/93/53/1131069353.db2.gz IKPISONRSRJEQR-UHFFFAOYSA-N 0 1 271.763 3.530 20 0 CHADMN CC1(CO)CN(Cc2ccc3sc4ccccc4c3c2)C1 ZINC001237194408 1131070505 /nfs/dbraw/zinc/07/05/05/1131070505.db2.gz DGZODSRKJJWKJZ-UHFFFAOYSA-N 0 1 297.423 3.869 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1Cc1cnc(Cl)cn1 ZINC000799139609 1131072776 /nfs/dbraw/zinc/07/27/76/1131072776.db2.gz RLKIVVYEBNMMHF-AAEUAGOBSA-N 0 1 267.804 3.531 20 0 CHADMN FC(F)(F)c1ccccc1CN1CCNC2=CCCC[C@@H]21 ZINC001237221374 1131072845 /nfs/dbraw/zinc/07/28/45/1131072845.db2.gz VVUBWEFSAUMBQN-HNNXBMFYSA-N 0 1 296.336 3.547 20 0 CHADMN CC(C)CC[C@H]1CCCN1Cc1cnc(Cl)cn1 ZINC000799127494 1131072902 /nfs/dbraw/zinc/07/29/02/1131072902.db2.gz QKBXNPGKPXAOMM-CYBMUJFWSA-N 0 1 267.804 3.531 20 0 CHADMN CC[C@](C)(NCc1cnc(Cl)cn1)c1ccccc1 ZINC000799153488 1131072919 /nfs/dbraw/zinc/07/29/19/1131072919.db2.gz CBXOAUNRFRSLSA-HNNXBMFYSA-N 0 1 275.783 3.545 20 0 CHADMN CCC[C@H](NCc1cnc(Cl)cn1)c1ccccc1 ZINC000799156622 1131073397 /nfs/dbraw/zinc/07/33/97/1131073397.db2.gz WOVWOYWOWWCJCK-AWEZNQCLSA-N 0 1 275.783 3.761 20 0 CHADMN C[C@@H]1CCCN(Cc2ccncc2C(F)(F)F)CC1 ZINC001237285371 1131076438 /nfs/dbraw/zinc/07/64/38/1131076438.db2.gz MULFBYCLAQFHBS-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN C[C@H]1COCCN1Cc1ccccc1CCc1ccccc1 ZINC001237294876 1131079363 /nfs/dbraw/zinc/07/93/63/1131079363.db2.gz CVLYGJLINSAYKR-KRWDZBQOSA-N 0 1 295.426 3.693 20 0 CHADMN Cc1cc(Br)c(CN(C)CC(C)C)cc1O ZINC001237294187 1131079872 /nfs/dbraw/zinc/07/98/72/1131079872.db2.gz HPOIUFKVTJARAJ-UHFFFAOYSA-N 0 1 286.213 3.551 20 0 CHADMN Cc1cc(F)cc(C)c1CN(C)Cc1cnc2ccccn12 ZINC001237316639 1131080514 /nfs/dbraw/zinc/08/05/14/1131080514.db2.gz GENHZKKONQMKLG-UHFFFAOYSA-N 0 1 297.377 3.722 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@@](C)(O)[C@@H](C)C2)c1Cl ZINC001138022895 1131085139 /nfs/dbraw/zinc/08/51/39/1131085139.db2.gz QSNYZHLUHNBRBU-BLLLJJGKSA-N 0 1 299.817 3.770 20 0 CHADMN CCN(Cc1n[nH]c2cc(OC)ccc21)Cc1ccccc1 ZINC001237396194 1131095797 /nfs/dbraw/zinc/09/57/97/1131095797.db2.gz KJXWGCXFFJCZMR-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN CCc1nocc1CN1CC=C(c2ccc(C)cc2)CC1 ZINC000816482790 1131098513 /nfs/dbraw/zinc/09/85/13/1131098513.db2.gz TYRKNJAQLRIGPI-UHFFFAOYSA-N 0 1 282.387 3.835 20 0 CHADMN Oc1cc(-c2cncc(C3CC3)c2)c(F)c(F)c1F ZINC001245639964 1131099841 /nfs/dbraw/zinc/09/98/41/1131099841.db2.gz YUGNCSNSFADSML-UHFFFAOYSA-N 0 1 265.234 3.749 20 0 CHADMN CC[C@H](Cc1ccccc1)N(C)Cc1cnn(C)c1Cl ZINC000816515008 1131103579 /nfs/dbraw/zinc/10/35/79/1131103579.db2.gz MRLPLQLNKKZONB-OAHLLOKOSA-N 0 1 291.826 3.527 20 0 CHADMN CCN(Cc1cc(Cl)nc(C(F)(F)F)c1)C1CC1 ZINC001237490317 1131104332 /nfs/dbraw/zinc/10/43/32/1131104332.db2.gz DGGVPKKGMFGNFW-UHFFFAOYSA-N 0 1 278.705 3.738 20 0 CHADMN CCCN(C)Cc1cc(C)c(F)cc1Br ZINC001237505854 1131106641 /nfs/dbraw/zinc/10/66/41/1131106641.db2.gz NGLCWXSVHQIBQH-UHFFFAOYSA-N 0 1 274.177 3.738 20 0 CHADMN CN(Cc1ccno1)Cc1cccc2c(F)cccc12 ZINC001237516900 1131109250 /nfs/dbraw/zinc/10/92/50/1131109250.db2.gz COSBVCBDHQHMDD-UHFFFAOYSA-N 0 1 270.307 3.599 20 0 CHADMN CN(Cc1cccc(-c2ccccc2)n1)C[C@H]1CCCCO1 ZINC001237545920 1131112480 /nfs/dbraw/zinc/11/24/80/1131112480.db2.gz GVQFHSUJXAGEKS-GOSISDBHSA-N 0 1 296.414 3.750 20 0 CHADMN CC1(C)CN(Cc2ccn3nccc3c2)Cc2ccccc21 ZINC001237544656 1131113281 /nfs/dbraw/zinc/11/32/81/1131113281.db2.gz MHOPNUKVSARBKW-UHFFFAOYSA-N 0 1 291.398 3.628 20 0 CHADMN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1cnn(C)c1Cl ZINC000816612257 1131116177 /nfs/dbraw/zinc/11/61/77/1131116177.db2.gz KNXPSRLWENXAIO-AAEUAGOBSA-N 0 1 283.847 3.720 20 0 CHADMN CCn1cncc1CN(Cc1cccc(C)c1C)C1CC1 ZINC001237593821 1131117344 /nfs/dbraw/zinc/11/73/44/1131117344.db2.gz OQWNBQJUTCWYJK-UHFFFAOYSA-N 0 1 283.419 3.684 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000816648225 1131118413 /nfs/dbraw/zinc/11/84/13/1131118413.db2.gz HASGCEYLTTZFMN-DTWKUNHWSA-N 0 1 275.726 3.782 20 0 CHADMN CCCCOc1ccc(CN2C[C@H](C)[C@@H]2C)cc1OC ZINC000816648040 1131118572 /nfs/dbraw/zinc/11/85/72/1131118572.db2.gz CQWCNRTUCAXQOQ-KBPBESRZSA-N 0 1 277.408 3.714 20 0 CHADMN Cc1cc(Br)cc(CN2C[C@@H](C)[C@H]2C)c1 ZINC000816648085 1131119024 /nfs/dbraw/zinc/11/90/24/1131119024.db2.gz DLBKGZLTZAQZAL-GHMZBOCLSA-N 0 1 268.198 3.598 20 0 CHADMN Cc1ccnc2cccc(CN3CC[C@](C)(F)[C@@H](F)C3)c12 ZINC001237627925 1131120261 /nfs/dbraw/zinc/12/02/61/1131120261.db2.gz WVGJEHJFMHBCCD-RDJZCZTQSA-N 0 1 290.357 3.815 20 0 CHADMN Cc1ccc2nc(CN3CC[C@H]4CCCC[C@@H]4C3)cn2c1 ZINC001115858169 1131121339 /nfs/dbraw/zinc/12/13/39/1131121339.db2.gz IBKFIZPTUZOJEH-HZPDHXFCSA-N 0 1 283.419 3.655 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1ccc(F)nc1)C(C)(C)C2 ZINC000816654344 1131121680 /nfs/dbraw/zinc/12/16/80/1131121680.db2.gz DOPKGESLWYSDDW-UHFFFAOYSA-N 0 1 284.378 3.866 20 0 CHADMN Cc1ccc(NC(=O)c2ccc(NC3=NCCC3)cc2)cc1 ZINC001135678265 1131124393 /nfs/dbraw/zinc/12/43/93/1131124393.db2.gz AXNUYXUFCVTASH-UHFFFAOYSA-N 0 1 293.370 3.852 20 0 CHADMN CCc1n[nH]cc1CN1CCC[C@@H]1c1cccc(Cl)c1 ZINC001237653236 1131124622 /nfs/dbraw/zinc/12/46/22/1131124622.db2.gz ISDFVUUYIIABIQ-MRXNPFEDSA-N 0 1 289.810 3.963 20 0 CHADMN CC1(C)CN(Cc2ccc(-c3ccc(O)cc3)cc2)CCO1 ZINC001237658784 1131124997 /nfs/dbraw/zinc/12/49/97/1131124997.db2.gz QITNEJROBAFAQK-UHFFFAOYSA-N 0 1 297.398 3.670 20 0 CHADMN Oc1ccc(-c2ccc(CN3CCC[C@H](F)C3)cc2)cc1 ZINC001237660754 1131125395 /nfs/dbraw/zinc/12/53/95/1131125395.db2.gz CTBFDAAANYYNRC-KRWDZBQOSA-N 0 1 285.362 3.993 20 0 CHADMN CO[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2Cl)[C@H](C)C1 ZINC001237706466 1131131642 /nfs/dbraw/zinc/13/16/42/1131131642.db2.gz VPIVCOQPKLKFAU-HIFRSBDPSA-N 0 1 281.827 3.956 20 0 CHADMN CCCC1CCN([C@H](C)C(=O)Nc2ccccc2C)CC1 ZINC001116196665 1131132878 /nfs/dbraw/zinc/13/28/78/1131132878.db2.gz OCGIWGBFGRMOSB-OAHLLOKOSA-N 0 1 288.435 3.834 20 0 CHADMN Cc1cc(CN2CC(c3cccnc3)C2)ccc1OC(C)C ZINC001237725625 1131133248 /nfs/dbraw/zinc/13/32/48/1131133248.db2.gz BGHZWVRMTOBWTC-UHFFFAOYSA-N 0 1 296.414 3.777 20 0 CHADMN Fc1ncc(C2CC2)cc1Nc1cccc2[nH]ncc21 ZINC001159575106 1131134495 /nfs/dbraw/zinc/13/44/95/1131134495.db2.gz TXPJDUQWIODDSO-UHFFFAOYSA-N 0 1 268.295 3.718 20 0 CHADMN CCc1cc(CN2CC[C@]3(CCCO3)C2)ccc1Cl ZINC001237735588 1131135449 /nfs/dbraw/zinc/13/54/49/1131135449.db2.gz JLTBVRXNZSYFQZ-MRXNPFEDSA-N 0 1 279.811 3.657 20 0 CHADMN CC[C@H](C)CONC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000816980682 1131135760 /nfs/dbraw/zinc/13/57/60/1131135760.db2.gz QSUTTWBQTCEUSB-NSHDSACASA-N 0 1 283.799 3.712 20 0 CHADMN CCCCC[C@@H](C(=O)Nc1nc(C(C)C)n[nH]1)C(C)C ZINC001116240978 1131135820 /nfs/dbraw/zinc/13/58/20/1131135820.db2.gz RFXOGCLFIRPNNL-GFCCVEGCSA-N 0 1 280.416 3.719 20 0 CHADMN CCCCC[C@@H](C(=O)Nc1n[nH]c(C(C)C)n1)C(C)C ZINC001116240978 1131135822 /nfs/dbraw/zinc/13/58/22/1131135822.db2.gz RFXOGCLFIRPNNL-GFCCVEGCSA-N 0 1 280.416 3.719 20 0 CHADMN Cc1cc(CNc2ccc(COC(C)(C)C)cc2)n[nH]1 ZINC001116226394 1131135921 /nfs/dbraw/zinc/13/59/21/1131135921.db2.gz NQCXPEIOGCNKOJ-UHFFFAOYSA-N 0 1 273.380 3.645 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@H](F)c3ccccc3)[nH]c2c1 ZINC000817017904 1131136870 /nfs/dbraw/zinc/13/68/70/1131136870.db2.gz GJRAJFBSQVWPMN-CQSZACIVSA-N 0 1 283.306 3.521 20 0 CHADMN CCCO[C@@H]1CCN(Cc2ccc(Cl)c(CC)c2)C1 ZINC001237741029 1131136982 /nfs/dbraw/zinc/13/69/82/1131136982.db2.gz HOGJDWSXRYXUHL-OAHLLOKOSA-N 0 1 281.827 3.903 20 0 CHADMN Cc1ccc2nc(NC(=O)C=Cc3cccs3)[nH]c2c1 ZINC000817016801 1131137142 /nfs/dbraw/zinc/13/71/42/1131137142.db2.gz MABYHSJFWLZIBQ-FNORWQNLSA-N 0 1 283.356 3.585 20 0 CHADMN CCc1cc(Br)ccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001237750247 1131138445 /nfs/dbraw/zinc/13/84/45/1131138445.db2.gz QEKFVRIFSPJGRU-DOMZBBRYSA-N 0 1 294.236 3.996 20 0 CHADMN Cc1ncc(CN(C)[C@H]2CCc3c2cccc3F)s1 ZINC001116324381 1131139999 /nfs/dbraw/zinc/13/99/99/1131139999.db2.gz JHEUSZLQYCDNPD-HNNXBMFYSA-N 0 1 276.380 3.710 20 0 CHADMN COc1ccc(CN2CCC23CCCCC3)c(Cl)n1 ZINC001237793153 1131141409 /nfs/dbraw/zinc/14/14/09/1131141409.db2.gz YSRUAGHVTQUKGN-UHFFFAOYSA-N 0 1 280.799 3.652 20 0 CHADMN COc1ccc(CN2CCC3(C2)CCCCC3)c(Cl)n1 ZINC001237810063 1131142136 /nfs/dbraw/zinc/14/21/36/1131142136.db2.gz MUONUKRPMKOHFR-UHFFFAOYSA-N 0 1 294.826 3.900 20 0 CHADMN Cc1cnc(CN2CCC[C@H](CCc3ccccc3)C2)nc1 ZINC001237811908 1131142855 /nfs/dbraw/zinc/14/28/55/1131142855.db2.gz YJPVWRMRBLZAMW-GOSISDBHSA-N 0 1 295.430 3.630 20 0 CHADMN Cc1nc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)ccc1F ZINC001237818778 1131143925 /nfs/dbraw/zinc/14/39/25/1131143925.db2.gz XHEHHSUAJRUARX-MRXNPFEDSA-N 0 1 284.378 3.909 20 0 CHADMN Cc1nc(-c2cc(Cl)cc(Cl)c2F)nc2nc[nH]c21 ZINC001245742619 1131145256 /nfs/dbraw/zinc/14/52/56/1131145256.db2.gz GXZOZTZOZMIHEG-UHFFFAOYSA-N 0 1 297.120 3.726 20 0 CHADMN CCOC(=O)c1ccccc1C[N@@H+](C)Cc1cccc(C)c1 ZINC001237879679 1131146946 /nfs/dbraw/zinc/14/69/46/1131146946.db2.gz OQZXXAZJONVXQO-UHFFFAOYSA-N 0 1 297.398 3.804 20 0 CHADMN CCOC(=O)c1ccccc1CN(C)Cc1cccc(C)c1 ZINC001237879679 1131146948 /nfs/dbraw/zinc/14/69/48/1131146948.db2.gz OQZXXAZJONVXQO-UHFFFAOYSA-N 0 1 297.398 3.804 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CCC12CCCCC2 ZINC001237877222 1131147917 /nfs/dbraw/zinc/14/79/17/1131147917.db2.gz JWGHCBZPVKEPRO-UHFFFAOYSA-N 0 1 299.418 3.927 20 0 CHADMN CN(Cc1ccncc1)Cc1ccccc1C1CCOCC1 ZINC001237900130 1131148635 /nfs/dbraw/zinc/14/86/35/1131148635.db2.gz UDRIZIGAKNDQJX-UHFFFAOYSA-N 0 1 296.414 3.608 20 0 CHADMN CCCOc1cc(F)ccc1CN1CCC(OCC)CC1 ZINC001237904495 1131149887 /nfs/dbraw/zinc/14/98/87/1131149887.db2.gz INXHKAISNNGWNV-UHFFFAOYSA-N 0 1 295.398 3.615 20 0 CHADMN CCCOc1cc(F)ccc1CN1CCC[C@@H](OCC)C1 ZINC001237906723 1131150483 /nfs/dbraw/zinc/15/04/83/1131150483.db2.gz UTJSFJICIMESKJ-MRXNPFEDSA-N 0 1 295.398 3.615 20 0 CHADMN CCCOc1cc(F)ccc1CN1CC[C@H](OCCC)C1 ZINC001237905637 1131150570 /nfs/dbraw/zinc/15/05/70/1131150570.db2.gz QJKPGCDNNCTIEC-INIZCTEOSA-N 0 1 295.398 3.615 20 0 CHADMN CCC(CC)CN(CC)C(=O)c1ccc2cncn2c1C ZINC001116548330 1131154430 /nfs/dbraw/zinc/15/44/30/1131154430.db2.gz MHQRXTQFELKDIM-UHFFFAOYSA-N 0 1 287.407 3.541 20 0 CHADMN CCCCC[C@H](C)Cc1nc([C@H]2CN3CCC2CC3)no1 ZINC001116610260 1131156958 /nfs/dbraw/zinc/15/69/58/1131156958.db2.gz RXUWWQLRZIBJJX-ZFWWWQNUSA-N 0 1 291.439 3.638 20 0 CHADMN Cc1sccc1CN(C)CCC(=O)c1cccs1 ZINC001237965968 1131157083 /nfs/dbraw/zinc/15/70/83/1131157083.db2.gz DWYQPTPYEABRSO-UHFFFAOYSA-N 0 1 279.430 3.823 20 0 CHADMN Cc1cc(Cl)ccc1OC(=O)[C@H]1CC[C@H]2CCCCN21 ZINC001135911385 1131157944 /nfs/dbraw/zinc/15/79/44/1131157944.db2.gz GAJKOFMOVZJTKS-ZIAGYGMSSA-N 0 1 293.794 3.571 20 0 CHADMN CC[C@H](C)N(C)Cc1csc(-c2ccc(O)cc2)n1 ZINC001237980506 1131158086 /nfs/dbraw/zinc/15/80/86/1131158086.db2.gz CWXWXKVYYCTHFW-NSHDSACASA-N 0 1 276.405 3.746 20 0 CHADMN C[C@]1(F)CCC[N@@H+](Cc2cc(F)c([O-])c(Cl)c2)CC1 ZINC001237983992 1131158576 /nfs/dbraw/zinc/15/85/76/1131158576.db2.gz KMFMVMWZYDIWHS-AWEZNQCLSA-N 0 1 289.753 3.899 20 0 CHADMN C[C@H](NCc1ccc(F)nc1)c1ccc(Cl)c(F)c1 ZINC001116671096 1131159320 /nfs/dbraw/zinc/15/93/20/1131159320.db2.gz YGJMBCPVFSVOEE-VIFPVBQESA-N 0 1 282.721 3.864 20 0 CHADMN C[N@@H+](Cc1ccccc1)Cc1cccc(N2CCCCC2)n1 ZINC001237997710 1131159610 /nfs/dbraw/zinc/15/96/10/1131159610.db2.gz GSUKTEDZVANMCP-UHFFFAOYSA-N 0 1 295.430 3.704 20 0 CHADMN CN(Cc1ccccc1)Cc1cccc(N2CCCCC2)n1 ZINC001237997710 1131159613 /nfs/dbraw/zinc/15/96/13/1131159613.db2.gz GSUKTEDZVANMCP-UHFFFAOYSA-N 0 1 295.430 3.704 20 0 CHADMN Oc1c(F)cc(CN2CC[C@H](C(F)(F)F)C2)cc1Cl ZINC001237996670 1131160281 /nfs/dbraw/zinc/16/02/81/1131160281.db2.gz HEMDCNUFCAULAL-QMMMGPOBSA-N 0 1 297.679 3.569 20 0 CHADMN Cc1c(C(=O)N2CCC(C(C)(C)C)CC2)ccc2cncn21 ZINC001116736286 1131162184 /nfs/dbraw/zinc/16/21/84/1131162184.db2.gz PSTAMIJFGBRGTG-UHFFFAOYSA-N 0 1 299.418 3.541 20 0 CHADMN Fc1cc(Cl)c(CN2CC[C@H](c3ccccc3)C2)cn1 ZINC001238017623 1131162302 /nfs/dbraw/zinc/16/23/02/1131162302.db2.gz NBCBRWCBBNJCRB-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN CCCCN(C)Cc1cccc(Cl)c1C(=O)OCC ZINC001238041091 1131164834 /nfs/dbraw/zinc/16/48/34/1131164834.db2.gz AUVYRBKYDUNQQR-UHFFFAOYSA-N 0 1 283.799 3.749 20 0 CHADMN CCOc1cc(CN(C)Cc2cccc(O)c2)ccc1C ZINC001238067053 1131167219 /nfs/dbraw/zinc/16/72/19/1131167219.db2.gz GNHNHCZELQJTCZ-UHFFFAOYSA-N 0 1 285.387 3.731 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1(C)C ZINC001116863342 1131167391 /nfs/dbraw/zinc/16/73/91/1131167391.db2.gz XSKOLWHBPKJXGB-UHFFFAOYSA-N 0 1 287.382 3.632 20 0 CHADMN CC1(C)CN(Cc2ccnn2-c2ccc(F)cc2)C1(C)C ZINC001116863342 1131167392 /nfs/dbraw/zinc/16/73/92/1131167392.db2.gz XSKOLWHBPKJXGB-UHFFFAOYSA-N 0 1 287.382 3.632 20 0 CHADMN CCOc1cc(CN2CCc3ccccc3C2)ccc1C ZINC001238070851 1131168113 /nfs/dbraw/zinc/16/81/13/1131168113.db2.gz RUDOVDXPBLOMKC-UHFFFAOYSA-N 0 1 281.399 3.952 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccsc2)ccc1F ZINC001116942171 1131170857 /nfs/dbraw/zinc/17/08/57/1131170857.db2.gz JMSPUSOZVDQAJP-JTQLQIEISA-N 0 1 265.353 3.747 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H](CCO)C2)cc(C)c1Cl ZINC001238098562 1131171044 /nfs/dbraw/zinc/17/10/44/1131171044.db2.gz ZFSQMIBZHNTPIV-CQSZACIVSA-N 0 1 281.827 3.551 20 0 CHADMN c1ccc([C@H]2CCCN2Cc2cncc(C3CC3)c2)nc1 ZINC001238185668 1131177818 /nfs/dbraw/zinc/17/78/18/1131177818.db2.gz PQBFIJCSBPBOGC-GOSISDBHSA-N 0 1 279.387 3.691 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1cncc(C3CC3)c1)C2 ZINC001238193021 1131179800 /nfs/dbraw/zinc/17/98/00/1131179800.db2.gz HDFCMXWYFTUVAM-UHFFFAOYSA-N 0 1 278.399 3.826 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(-c2cccs2)n1 ZINC001238209488 1131180542 /nfs/dbraw/zinc/18/05/42/1131180542.db2.gz OJGBRBBMYDRSOA-OKILXGFUSA-N 0 1 298.411 3.506 20 0 CHADMN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)c(O)c1 ZINC001135999478 1131182643 /nfs/dbraw/zinc/18/26/43/1131182643.db2.gz NBNUDZSFTSKJDU-SNVBAGLBSA-N 0 1 287.746 3.637 20 0 CHADMN CCc1ccc([C@@H](NCc2csc(N)n2)C(C)C)cc1 ZINC000817840741 1131184866 /nfs/dbraw/zinc/18/48/66/1131184866.db2.gz BRJGVDHWFAJAOV-HNNXBMFYSA-N 0 1 289.448 3.775 20 0 CHADMN COC[C@@H]1CCN(Cc2cc(Cl)c(Cl)cc2C)C1 ZINC001238262400 1131186860 /nfs/dbraw/zinc/18/68/60/1131186860.db2.gz IYNSMGYDUVAXJB-LLVKDONJSA-N 0 1 288.218 3.770 20 0 CHADMN Cc1cc(CN2CCC[C@@](C)(O)[C@@H](C)C2)c(F)cc1Cl ZINC001238301005 1131188645 /nfs/dbraw/zinc/18/86/45/1131188645.db2.gz VTAGHGMLXMDBCP-BLLLJJGKSA-N 0 1 299.817 3.770 20 0 CHADMN Cc1cc(CN2CC[C@@H]3OCCC[C@H]3C2)c(F)cc1Cl ZINC001238298213 1131189020 /nfs/dbraw/zinc/18/90/20/1131189020.db2.gz FSLPRXNJCNUPAP-LRDDRELGSA-N 0 1 297.801 3.788 20 0 CHADMN Cc1ccc(OC(F)F)c(CN2CC3CCC2CC3)c1 ZINC001117683626 1131192815 /nfs/dbraw/zinc/19/28/15/1131192815.db2.gz ZKLFDNJUIOPRQC-UHFFFAOYSA-N 0 1 281.346 3.971 20 0 CHADMN COc1cc(CN2C3CCCC2CCC3)c(Cl)cn1 ZINC001238363038 1131193104 /nfs/dbraw/zinc/19/31/04/1131193104.db2.gz GTMIQKXBXXRIPM-UHFFFAOYSA-N 0 1 280.799 3.651 20 0 CHADMN COc1c(Cl)ccc(F)c1CN(C)CCC1CC1 ZINC001238345889 1131193163 /nfs/dbraw/zinc/19/31/63/1131193163.db2.gz NFYBHIXUUJODCR-UHFFFAOYSA-N 0 1 271.763 3.720 20 0 CHADMN COc1cc(CN2CCC23CCCCC3)c(Cl)cn1 ZINC001238352173 1131193274 /nfs/dbraw/zinc/19/32/74/1131193274.db2.gz ULJGLEZCYBRDTP-UHFFFAOYSA-N 0 1 280.799 3.652 20 0 CHADMN Cc1cc(CN2CCC[C@@H](C(F)F)C2)cnc1OC(C)C ZINC001238388563 1131193994 /nfs/dbraw/zinc/19/39/94/1131193994.db2.gz AOZGTCSHAWBIIR-CQSZACIVSA-N 0 1 298.377 3.654 20 0 CHADMN Cc1cc(CN2C[C@H]3[C@H](CCC3(F)F)C2)ncc1Cl ZINC001238418671 1131196822 /nfs/dbraw/zinc/19/68/22/1131196822.db2.gz IIISOXYINPSNNC-PWSUYJOCSA-N 0 1 286.753 3.521 20 0 CHADMN COC[C@@H]1CCCCN1Cc1cccc(OC(C)C)c1F ZINC001238421181 1131197805 /nfs/dbraw/zinc/19/78/05/1131197805.db2.gz BFMJDAYCKLYIOG-HNNXBMFYSA-N 0 1 295.398 3.614 20 0 CHADMN Cc1cc(CN2[C@@H](C)CCC[C@@H]2C)ncc1Cl ZINC001238426853 1131198476 /nfs/dbraw/zinc/19/84/76/1131198476.db2.gz MALQRQDHYRIPRD-RYUDHWBXSA-N 0 1 252.789 3.806 20 0 CHADMN CC(C)Oc1cc(CN2CC[C@@](C)(CF)C2)ccc1F ZINC001238455483 1131202757 /nfs/dbraw/zinc/20/27/57/1131202757.db2.gz YLUCCSWWBMCUIT-INIZCTEOSA-N 0 1 283.362 3.794 20 0 CHADMN C[C@@H](NC/C=C/C1CC1)c1ncc(-c2ccccc2)n1C ZINC001117831301 1131203999 /nfs/dbraw/zinc/20/39/99/1131203999.db2.gz MAXDQVBFENZKTE-PSKZRQQASA-N 0 1 281.403 3.704 20 0 CHADMN CC(C)n1cncc1CNC(C)(C)c1ccc(F)cc1 ZINC000818185966 1131204337 /nfs/dbraw/zinc/20/43/37/1131204337.db2.gz ASVKYIZGTIGPKF-UHFFFAOYSA-N 0 1 275.371 3.628 20 0 CHADMN CC(C)Oc1cc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)ccc1F ZINC001238458691 1131204650 /nfs/dbraw/zinc/20/46/50/1131204650.db2.gz SBJBRIATCUTDGH-YDHLFZDLSA-N 0 1 281.346 3.545 20 0 CHADMN Cc1ccc2nc(NC(=O)CC(C3CC3)C3CC3)[nH]c2c1 ZINC001117887579 1131205114 /nfs/dbraw/zinc/20/51/14/1131205114.db2.gz HNBJHVNJWKZEGS-UHFFFAOYSA-N 0 1 283.375 3.636 20 0 CHADMN COc1c(CN2C3CCCC2CCC3)ccc(F)c1F ZINC001238470765 1131205245 /nfs/dbraw/zinc/20/52/45/1131205245.db2.gz WDRLZBUDBFUTCU-UHFFFAOYSA-N 0 1 281.346 3.880 20 0 CHADMN COc1cnc(CN2CCC[C@@H]3CCCC[C@H]32)c(Cl)c1 ZINC001238486875 1131207054 /nfs/dbraw/zinc/20/70/54/1131207054.db2.gz HBPGPAJGOQZKHZ-BLLLJJGKSA-N 0 1 294.826 3.898 20 0 CHADMN COc1cnc(CN2[C@@H](C)CCC[C@@H]2C)c(Cl)c1 ZINC001238481847 1131207176 /nfs/dbraw/zinc/20/71/76/1131207176.db2.gz GUZJUGMHNXJQKK-QWRGUYRKSA-N 0 1 268.788 3.507 20 0 CHADMN CCOc1cc(CN2CCCC2)cc(C(F)(F)F)c1 ZINC001238500497 1131210185 /nfs/dbraw/zinc/21/01/85/1131210185.db2.gz JBYSHHRCVQBRNA-UHFFFAOYSA-N 0 1 273.298 3.700 20 0 CHADMN CC(=O)CN(C)Cc1ccccc1-c1ccc(F)cc1F ZINC001238579840 1131217322 /nfs/dbraw/zinc/21/73/22/1131217322.db2.gz FMXWBQREIDHARY-UHFFFAOYSA-N 0 1 289.325 3.653 20 0 CHADMN Cc1cc(F)cc(Br)c1CN1C[C@H]2CC[C@@H]1C2 ZINC001238570288 1131217893 /nfs/dbraw/zinc/21/78/93/1131217893.db2.gz MYDQWQDRIYKDGY-CMPLNLGQSA-N 0 1 298.199 3.881 20 0 CHADMN Cc1cc(CN2CC(C)(C)C2)cnc1-c1ccccc1 ZINC001238607599 1131221135 /nfs/dbraw/zinc/22/11/35/1131221135.db2.gz TYYCPWXENZIKSK-UHFFFAOYSA-N 0 1 266.388 3.899 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccncc2)cnc1C1CC1 ZINC001238618389 1131222704 /nfs/dbraw/zinc/22/27/04/1131222704.db2.gz RVPGBAJNLPDQFS-SFHVURJKSA-N 0 1 293.414 4.000 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170917185 1131223714 /nfs/dbraw/zinc/22/37/14/1131223714.db2.gz FKENAMCJEYWTLS-RAIGVLPGSA-N 0 1 267.775 3.630 20 0 CHADMN Cc1cc(CN2CCCC[C@@](C)(F)C2)cnc1C1CC1 ZINC001238622098 1131224748 /nfs/dbraw/zinc/22/47/48/1131224748.db2.gz YWOMDOSEHJLZQW-QGZVFWFLSA-N 0 1 276.399 3.982 20 0 CHADMN COc1cc(F)ccc1-c1cccc(CN(C)CCF)c1 ZINC001238635952 1131226124 /nfs/dbraw/zinc/22/61/24/1131226124.db2.gz YWWDEHDEXCWWCD-UHFFFAOYSA-N 0 1 291.341 3.903 20 0 CHADMN CC(C)(C)C(=O)Nc1ccc(Cl)cc1CN1CCCC1 ZINC001238674299 1131228912 /nfs/dbraw/zinc/22/89/12/1131228912.db2.gz SPWZITCMJHJGFE-UHFFFAOYSA-N 0 1 294.826 3.920 20 0 CHADMN CSc1ccc(Cl)cc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001238675405 1131229708 /nfs/dbraw/zinc/22/97/08/1131229708.db2.gz BCGKLOWUUOGTHF-XDTLVQLUSA-N 0 1 285.815 3.994 20 0 CHADMN CC(C)c1ccoc1-c1noc([C@H]2C[C@@H](C)CCN2)n1 ZINC000823242857 1131420182 /nfs/dbraw/zinc/42/01/82/1131420182.db2.gz GIYIVKAYRFNTGF-CMPLNLGQSA-N 0 1 275.352 3.514 20 0 CHADMN Cc1ccccc1C1(NCc2cccc(Cl)n2)CC1 ZINC000829496014 1131422656 /nfs/dbraw/zinc/42/26/56/1131422656.db2.gz ZFTYRARRKUERPP-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN Cc1cccc(C)c1CN1CCCC(F)(F)[C@@H](F)C1 ZINC001137847980 1131423088 /nfs/dbraw/zinc/42/30/88/1131423088.db2.gz NRZKTMIXYODWKR-AWEZNQCLSA-N 0 1 271.326 3.873 20 0 CHADMN Fc1cc(F)c(F)c(CN2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC001137868207 1131425862 /nfs/dbraw/zinc/42/58/62/1131425862.db2.gz DWYSAEIVSFZXOW-PHIMTYICSA-N 0 1 269.310 3.726 20 0 CHADMN C[C@H]1CCCN(Cc2cc(F)cc(F)c2F)CC1 ZINC001137868149 1131426047 /nfs/dbraw/zinc/42/60/47/1131426047.db2.gz DHDTVMKEBAQLKV-JTQLQIEISA-N 0 1 257.299 3.726 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1cc(F)ncc1F)C1CC1 ZINC000823438302 1131427034 /nfs/dbraw/zinc/42/70/34/1131427034.db2.gz SXCASGONNJAAEU-GHMZBOCLSA-N 0 1 268.351 3.759 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CN1Cc1cc(F)ncc1F ZINC000823459388 1131427829 /nfs/dbraw/zinc/42/78/29/1131427829.db2.gz STNSLLATURQSNK-JSGCOSHPSA-N 0 1 288.341 3.738 20 0 CHADMN Cl/C=C/CN1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000823461285 1131427895 /nfs/dbraw/zinc/42/78/95/1131427895.db2.gz GUEUUNQBUDEBMJ-FPYGCLRLSA-N 0 1 296.867 3.954 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1cc(F)cc(F)c1F ZINC001137875395 1131428098 /nfs/dbraw/zinc/42/80/98/1131428098.db2.gz UNFMXGXJBGWFRN-ZDUSSCGKSA-N 0 1 257.299 3.724 20 0 CHADMN Fc1cc(F)c(CN2CCCCCCC2)cc1F ZINC001137891282 1131430003 /nfs/dbraw/zinc/43/00/03/1131430003.db2.gz IFULFNYUOFTFFO-UHFFFAOYSA-N 0 1 257.299 3.870 20 0 CHADMN Cc1ccc(CN(CC2CC2)C[C@H]2CC2(Cl)Cl)cn1 ZINC000829847296 1131435458 /nfs/dbraw/zinc/43/54/58/1131435458.db2.gz YMAWZMPUYOLFAB-CQSZACIVSA-N 0 1 299.245 3.796 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2cc(C3CC3)nn2C)c1 ZINC000823741794 1131439105 /nfs/dbraw/zinc/43/91/05/1131439105.db2.gz BPTRLMPWELMHHB-CYBMUJFWSA-N 0 1 299.418 3.547 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]3CCC[C@H]32)c(F)c1F ZINC001137940349 1131439392 /nfs/dbraw/zinc/43/93/92/1131439392.db2.gz TWHKCDMVHLLXSH-GXFFZTMASA-N 0 1 269.310 3.868 20 0 CHADMN Cc1cccc2c1CC[C@H]2NCc1ccnc(Cl)c1F ZINC000823808075 1131441543 /nfs/dbraw/zinc/44/15/43/1131441543.db2.gz ZWEZPDOXLKJJTJ-CQSZACIVSA-N 0 1 290.769 3.960 20 0 CHADMN COc1ccc(F)c(CN2CCC3(CC(F)C3)CC2)c1 ZINC001137992386 1131448088 /nfs/dbraw/zinc/44/80/88/1131448088.db2.gz UAZCZNUERUVFLK-UHFFFAOYSA-N 0 1 281.346 3.548 20 0 CHADMN CSCCN(C)Cc1cccc(C(F)(F)F)c1F ZINC001138012077 1131450860 /nfs/dbraw/zinc/45/08/60/1131450860.db2.gz TWIJOZZONJKSHN-UHFFFAOYSA-N 0 1 281.318 3.639 20 0 CHADMN Cc1ccc(CN2C[C@H]3CC[C@@H](C2)O3)c2ccccc12 ZINC001138012909 1131451011 /nfs/dbraw/zinc/45/10/11/1131451011.db2.gz FCEIXDXQQHCJEJ-IYBDPMFKSA-N 0 1 267.372 3.511 20 0 CHADMN CCCCC[C@H](C(=O)N(C)Cc1cn[nH]c1C)C(C)C ZINC000824050707 1131451737 /nfs/dbraw/zinc/45/17/37/1131451737.db2.gz ICLSFWZDDUVJSK-HNNXBMFYSA-N 0 1 279.428 3.529 20 0 CHADMN Cc1ccc(CN2CCn3cccc3C2)c2ccccc12 ZINC001138016487 1131452083 /nfs/dbraw/zinc/45/20/83/1131452083.db2.gz ISBAKMTYURIMAB-UHFFFAOYSA-N 0 1 276.383 3.966 20 0 CHADMN Cc1ccc(F)c(CN2CC(C)(C)C[C@@]2(C)CO)c1Cl ZINC001138023054 1131452729 /nfs/dbraw/zinc/45/27/29/1131452729.db2.gz XQDKFTOZHHGFOS-INIZCTEOSA-N 0 1 299.817 3.770 20 0 CHADMN Cc1ccc(F)c(CN2CCC3(CCOC3)CC2)c1Cl ZINC001138022934 1131452991 /nfs/dbraw/zinc/45/29/91/1131452991.db2.gz SHJCHKWKDDDYDU-UHFFFAOYSA-N 0 1 297.801 3.790 20 0 CHADMN CCCCC[C@@H](NCc1cn(C)cn1)c1ccccc1 ZINC000808385966 1131453463 /nfs/dbraw/zinc/45/34/63/1131453463.db2.gz ZKQCXDZWPFQLBS-QGZVFWFLSA-N 0 1 271.408 3.831 20 0 CHADMN Cc1ccc(Cl)c(CN2C[C@@H]3C(=O)CCC[C@@H]3C2)c1F ZINC001138037061 1131457038 /nfs/dbraw/zinc/45/70/38/1131457038.db2.gz IXFJIALLUKNPSW-NEPJUHHUSA-N 0 1 295.785 3.589 20 0 CHADMN Cc1cccc([C@@H]2CCN(Cc3cc(F)ncc3F)C2)c1 ZINC000824153748 1131457272 /nfs/dbraw/zinc/45/72/72/1131457272.db2.gz UMEWCSBCMDMJAJ-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN CCCC1CCN(Cc2ccc(Cl)cn2)CC1 ZINC001136929723 1131480676 /nfs/dbraw/zinc/48/06/76/1131480676.db2.gz UMCOGIADHNFAFB-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN CCCN(C(=O)c1cccc2[nH]c(C(F)F)nc21)C(C)C ZINC000824264054 1131461846 /nfs/dbraw/zinc/46/18/46/1131461846.db2.gz JDTAPPQLUFAVBK-UHFFFAOYSA-N 0 1 295.333 3.761 20 0 CHADMN CCOc1cccc(CN2CCCC[C@@](C)(F)C2)c1 ZINC001138095936 1131464615 /nfs/dbraw/zinc/46/46/15/1131464615.db2.gz LYBHLJJWAIEQHR-MRXNPFEDSA-N 0 1 265.372 3.799 20 0 CHADMN F[C@@H]1C[C@@H]2C[C@H]1CN2Cc1cc2c(cccc2Cl)[nH]1 ZINC001136861136 1131464942 /nfs/dbraw/zinc/46/49/42/1131464942.db2.gz PWUHWLORPNIFEW-NURSFMCSSA-N 0 1 278.758 3.754 20 0 CHADMN CS[C@H]1CCN(Cc2cc3ccccc3c(Cl)n2)C1 ZINC000830888594 1131470896 /nfs/dbraw/zinc/47/08/96/1131470896.db2.gz HFAYZAJVJYRGQC-ZDUSSCGKSA-N 0 1 292.835 3.826 20 0 CHADMN Cc1ccn2c(CN(C)Cc3ccc(C)c(C)c3)cnc2c1 ZINC001136892610 1131473161 /nfs/dbraw/zinc/47/31/61/1131473161.db2.gz LWWVXWSEWFAVHY-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN CCc1ccc(F)cc1C(=O)Nc1cc2cn[nH]c2cc1C ZINC001138212396 1131478136 /nfs/dbraw/zinc/47/81/36/1131478136.db2.gz UUBUQNNELJKCTP-UHFFFAOYSA-N 0 1 297.333 3.825 20 0 CHADMN OCC[C@H](NCc1ccoc1)c1cccc(C(F)(F)F)c1 ZINC000824672741 1131479103 /nfs/dbraw/zinc/47/91/03/1131479103.db2.gz HLQNZGSRFLDNMI-AWEZNQCLSA-N 0 1 299.292 3.512 20 0 CHADMN Cc1nc([C@H](C)NC[C@]2(C)CC2(Cl)Cl)c(C)s1 ZINC000824765280 1131482643 /nfs/dbraw/zinc/48/26/43/1131482643.db2.gz JCXRIFMOERLQMP-CPCISQLKSA-N 0 1 293.263 3.994 20 0 CHADMN Cc1ccc2c(CN3CCC(=O)[C@@H]4CCCC[C@H]43)c[nH]c2c1 ZINC001136969339 1131488812 /nfs/dbraw/zinc/48/88/12/1131488812.db2.gz MDMUHKYPLWPJIY-SJLPKXTDSA-N 0 1 296.414 3.810 20 0 CHADMN Cc1cc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)cnc1Cl ZINC000824940922 1131490155 /nfs/dbraw/zinc/49/01/55/1131490155.db2.gz FWXIHJRKMSSUTG-GJZGRUSLSA-N 0 1 276.811 3.664 20 0 CHADMN Cc1ccc2c(CN3CC4(C3)C[C@H](F)CS4)c[nH]c2c1 ZINC001136974884 1131491433 /nfs/dbraw/zinc/49/14/33/1131491433.db2.gz QOTXKKUDKOAQKL-ZDUSSCGKSA-N 0 1 290.407 3.506 20 0 CHADMN Oc1ccc2c(c1)CCN(Cc1c[nH]c3cccc(F)c13)C2 ZINC001136981466 1131494738 /nfs/dbraw/zinc/49/47/38/1131494738.db2.gz PQMLKVNSTIMSFF-UHFFFAOYSA-N 0 1 296.345 3.571 20 0 CHADMN CCCC1CCN(Cc2c(F)cccc2OC)CC1 ZINC001138383938 1131497070 /nfs/dbraw/zinc/49/70/70/1131497070.db2.gz KICSLWMALBRRJB-UHFFFAOYSA-N 0 1 265.372 3.846 20 0 CHADMN CCc1nc(CNC2CC(c3cc(F)cc(F)c3)C2)co1 ZINC000825062127 1131497833 /nfs/dbraw/zinc/49/78/33/1131497833.db2.gz PQFOVMYFNAZAAM-UHFFFAOYSA-N 0 1 292.329 3.551 20 0 CHADMN Cc1c2ccccc2[nH]c1CN1CCc2cc(O)ccc2C1 ZINC001138397942 1131498346 /nfs/dbraw/zinc/49/83/46/1131498346.db2.gz IQUOSNYISFSGNH-UHFFFAOYSA-N 0 1 292.382 3.740 20 0 CHADMN Cc1ccc2[nH]c(CN3CCCC[C@H](F)C3)cc2c1 ZINC001138417802 1131501439 /nfs/dbraw/zinc/50/14/39/1131501439.db2.gz AYBKRWCSTSZVFE-AWEZNQCLSA-N 0 1 260.356 3.800 20 0 CHADMN Cc1c2cc(F)ccc2[nH]c1CN1CC(c2cccnc2)C1 ZINC001138414339 1131501921 /nfs/dbraw/zinc/50/19/21/1131501921.db2.gz YCAXNNOQCIHMLM-UHFFFAOYSA-N 0 1 295.361 3.610 20 0 CHADMN COc1c(F)cc(CN2CCC[C@@H](C)CC2)cc1F ZINC001138421361 1131503013 /nfs/dbraw/zinc/50/30/13/1131503013.db2.gz LYPLWAQCHRULOI-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN Cc1cccc2c1CN(Cc1ccc3c(c1)COC3)C2 ZINC001137021922 1131507243 /nfs/dbraw/zinc/50/72/43/1131507243.db2.gz FYERMJBORYXLAY-UHFFFAOYSA-N 0 1 265.356 3.541 20 0 CHADMN COc1cc(Nc2ccc3[nH]c(C)nc3c2)cc(OC)c1 ZINC001213073551 1131508691 /nfs/dbraw/zinc/50/86/91/1131508691.db2.gz QCLOEMZFKFUBPH-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN CCCOC1CCN(Cc2ccc(OC)c(Cl)c2)CC1 ZINC001138473965 1131510405 /nfs/dbraw/zinc/51/04/05/1131510405.db2.gz HSAGSUSWWVCAIN-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN CCN(Cc1ccsc1C(=O)OC)C1CC(C)(C)C1 ZINC001171086791 1131510776 /nfs/dbraw/zinc/51/07/76/1131510776.db2.gz KKDRCNVVWLXICF-UHFFFAOYSA-N 0 1 281.421 3.545 20 0 CHADMN COc1ccc(Cl)cc1CN1CC[C@](C)(CF)C1 ZINC001138480112 1131511172 /nfs/dbraw/zinc/51/11/72/1131511172.db2.gz LPGLMCXDYLBXKB-CQSZACIVSA-N 0 1 271.763 3.530 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(C)c(C)c3N)ccc12 ZINC001160377023 1131515119 /nfs/dbraw/zinc/51/51/19/1131515119.db2.gz HHCRTAUIKHZOLS-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN CCCc1ccc(CN2CCCC(=O)[C@H](C)C2)s1 ZINC001138523951 1131516799 /nfs/dbraw/zinc/51/67/99/1131516799.db2.gz TXLLVOMQQHMREU-GFCCVEGCSA-N 0 1 265.422 3.502 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCN1C(C)(C)C ZINC001143641269 1131520206 /nfs/dbraw/zinc/52/02/06/1131520206.db2.gz JBIUMQHDJXMJBZ-ARFHVFGLSA-N 0 1 294.483 3.580 20 0 CHADMN CC/C=C(\C)C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831909936 1131520236 /nfs/dbraw/zinc/52/02/36/1131520236.db2.gz BZYMQRATNIIQFA-GUNGLEHYSA-N 0 1 289.423 3.595 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)/C=C/C2CCCC2)c1 ZINC000843891138 1131522051 /nfs/dbraw/zinc/52/20/51/1131522051.db2.gz PSBOVFOJSSSLGG-JXMROGBWSA-N 0 1 287.359 3.670 20 0 CHADMN FC1(F)CC2(CN(Cc3ccccc3N3CCCC3)C2)C1 ZINC001138610096 1131526067 /nfs/dbraw/zinc/52/60/67/1131526067.db2.gz IOVABQKZXIXBSP-UHFFFAOYSA-N 0 1 292.373 3.518 20 0 CHADMN Cc1cc(C)cc(NC(=O)Nc2cc(O)c(F)c(F)c2)c1 ZINC001202849782 1131530527 /nfs/dbraw/zinc/53/05/27/1131530527.db2.gz YMXFPEDURSCEBC-UHFFFAOYSA-N 0 1 292.285 3.931 20 0 CHADMN CCN(Cc1ccc(OC(F)(F)F)cc1F)C1CC1 ZINC001143780689 1131533216 /nfs/dbraw/zinc/53/32/16/1131533216.db2.gz DDIJUNLQWJXBFN-UHFFFAOYSA-N 0 1 277.261 3.709 20 0 CHADMN CC(C)N(C)Cc1ccc(OC(F)(F)F)cc1F ZINC001143782149 1131533750 /nfs/dbraw/zinc/53/37/50/1131533750.db2.gz CHOAQRKZCFJYKZ-UHFFFAOYSA-N 0 1 265.250 3.565 20 0 CHADMN Fc1cc(OC(F)(F)F)ccc1CN1CC2CC(C2)C1 ZINC001143793934 1131534449 /nfs/dbraw/zinc/53/44/49/1131534449.db2.gz PEIHNEGWQMYSDP-UHFFFAOYSA-N 0 1 289.272 3.566 20 0 CHADMN CO[C@@H]1CCN(Cc2ccc(C(F)(F)F)c(Cl)c2)C1 ZINC001143803786 1131535487 /nfs/dbraw/zinc/53/54/87/1131535487.db2.gz AMRTYAQRWGJEQD-SNVBAGLBSA-N 0 1 293.716 3.580 20 0 CHADMN C[C@H]1CN(Cc2ccc(-c3ccc(F)cc3)cc2)CCO1 ZINC001138681663 1131536139 /nfs/dbraw/zinc/53/61/39/1131536139.db2.gz GHDBMDJDJDYVOB-AWEZNQCLSA-N 0 1 285.362 3.713 20 0 CHADMN CNc1ncccc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC001138690305 1131537890 /nfs/dbraw/zinc/53/78/90/1131537890.db2.gz VZXPHAMPECVLTJ-MRXNPFEDSA-N 0 1 285.366 3.600 20 0 CHADMN COc1c(F)cc(CN2CCC[C@@H](C)C2)cc1Cl ZINC001143836800 1131537954 /nfs/dbraw/zinc/53/79/54/1131537954.db2.gz BVYXJJRXZGJBPR-SNVBAGLBSA-N 0 1 271.763 3.720 20 0 CHADMN CNc1ncccc1CN(Cc1cccc(C)c1C)C1CC1 ZINC001138694960 1131538308 /nfs/dbraw/zinc/53/83/08/1131538308.db2.gz PORUHWWVPHKWIT-UHFFFAOYSA-N 0 1 295.430 3.905 20 0 CHADMN COc1c(F)cc(CN2C[C@H](C)C[C@H](C)C2)cc1Cl ZINC001143848002 1131539289 /nfs/dbraw/zinc/53/92/89/1131539289.db2.gz JAFSQLCTTWJZNC-PHIMTYICSA-N 0 1 285.790 3.966 20 0 CHADMN CN(C)Cc1ccc(-c2ccc3c(c2)CC[C@@H]3O)cc1F ZINC000844230423 1131540712 /nfs/dbraw/zinc/54/07/12/1131540712.db2.gz XXZLHDOWDIXIEE-SFHVURJKSA-N 0 1 285.362 3.534 20 0 CHADMN O[C@@H](c1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1)C1CCC1 ZINC000844234457 1131541610 /nfs/dbraw/zinc/54/16/10/1131541610.db2.gz JJAKRVQIRZNMJT-CQSZACIVSA-N 0 1 296.292 3.929 20 0 CHADMN c1coc(C[N@@H+](Cc2ccc3c(c2)CCCO3)C2CC2)c1 ZINC001138719369 1131541758 /nfs/dbraw/zinc/54/17/58/1131541758.db2.gz URTJSJPMOIVSSI-UHFFFAOYSA-N 0 1 283.371 3.769 20 0 CHADMN c1coc(CN(Cc2ccc3c(c2)CCCO3)C2CC2)c1 ZINC001138719369 1131541762 /nfs/dbraw/zinc/54/17/62/1131541762.db2.gz URTJSJPMOIVSSI-UHFFFAOYSA-N 0 1 283.371 3.769 20 0 CHADMN COc1cc(C)c(CN2CCc3ncccc3C2)c(C)c1C ZINC001138729066 1131542669 /nfs/dbraw/zinc/54/26/69/1131542669.db2.gz MJQGOPBZGOWRKB-UHFFFAOYSA-N 0 1 296.414 3.574 20 0 CHADMN CC(C)CN(Cc1ccccc1)Cc1cccnc1F ZINC001138783535 1131548290 /nfs/dbraw/zinc/54/82/90/1131548290.db2.gz SMXOOWHHJJKXEX-UHFFFAOYSA-N 0 1 272.367 3.879 20 0 CHADMN COc1ccc(Cl)c(CN2C[C@H]3CCC[C@@H]3C2)c1F ZINC001143886258 1131548693 /nfs/dbraw/zinc/54/86/93/1131548693.db2.gz KWIKHYFKXNISFL-GHMZBOCLSA-N 0 1 283.774 3.720 20 0 CHADMN COc1ccc(CN2CCC[C@@H](C)CC2)c(F)c1F ZINC001143903650 1131550361 /nfs/dbraw/zinc/55/03/61/1131550361.db2.gz GSIBZXMMTFXPPS-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN COc1ccc(CN2CC[C@@H]3CCC[C@H]3C2)c(F)c1F ZINC001143905098 1131550420 /nfs/dbraw/zinc/55/04/20/1131550420.db2.gz UJHQHGHFTHLRDQ-RYUDHWBXSA-N 0 1 281.346 3.595 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cccc2ccnn21 ZINC001138807752 1131550767 /nfs/dbraw/zinc/55/07/67/1131550767.db2.gz VDRODYRIGZPPAL-LJQANCHMSA-N 0 1 291.398 3.844 20 0 CHADMN CCN(CC)c1ncc(CN2CC3(C2)CCCCC3)s1 ZINC001138802049 1131551768 /nfs/dbraw/zinc/55/17/68/1131551768.db2.gz AYKHOFSBZBPWAX-UHFFFAOYSA-N 0 1 293.480 3.755 20 0 CHADMN CC[C@H](OCCN1CCC(F)(F)CC1)c1ccccc1 ZINC000844323500 1131551879 /nfs/dbraw/zinc/55/18/79/1131551879.db2.gz AKBQPFHSAHPJCR-HNNXBMFYSA-N 0 1 283.362 3.885 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1ccc3occc3c1)C2 ZINC001138822890 1131552079 /nfs/dbraw/zinc/55/20/79/1131552079.db2.gz RTEDJORVNBVQBK-UHFFFAOYSA-N 0 1 293.366 4.000 20 0 CHADMN Cc1ccccc1C1(NCc2cnc(Cl)cn2)CCC1 ZINC000844352182 1131553787 /nfs/dbraw/zinc/55/37/87/1131553787.db2.gz VRFVKZRWMDXTTR-UHFFFAOYSA-N 0 1 287.794 3.607 20 0 CHADMN CCOc1ccc(F)c(CN2C[C@H](C)C[C@H](C)C2)c1F ZINC001143943266 1131557148 /nfs/dbraw/zinc/55/71/48/1131557148.db2.gz VJANDUBSIWOYOJ-TXEJJXNPSA-N 0 1 283.362 3.841 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(F)cnc2Cl)C[C@H]1C ZINC001138891171 1131557636 /nfs/dbraw/zinc/55/76/36/1131557636.db2.gz OJQYFGARHMMJJM-GHMZBOCLSA-N 0 1 270.779 3.742 20 0 CHADMN Cc1c(CN2C[C@@H]3C[C@H]2C[C@@H]3F)cccc1C(F)(F)F ZINC001143930239 1131557656 /nfs/dbraw/zinc/55/76/56/1131557656.db2.gz MIUIQRWHCPZEEU-OBJOEFQTSA-N 0 1 287.300 3.946 20 0 CHADMN CN(Cc1ccc2c(c1)c1ccccc1n2C)C1(C)COC1 ZINC001138918573 1131560578 /nfs/dbraw/zinc/56/05/78/1131560578.db2.gz JFXOLLAZYOPYCY-UHFFFAOYSA-N 0 1 294.398 3.552 20 0 CHADMN COc1ccc(F)c(CN2CC[C@@H]3CCC[C@@H]3C2)c1F ZINC001143967598 1131560782 /nfs/dbraw/zinc/56/07/82/1131560782.db2.gz JZPRCGBTMZUTBA-NWDGAFQWSA-N 0 1 281.346 3.595 20 0 CHADMN CCCCOc1cccc(CN2C[C@@H](C)[C@@H](F)C2)c1 ZINC001138952441 1131563060 /nfs/dbraw/zinc/56/30/60/1131563060.db2.gz PSJWFKVURZXWMC-CJNGLKHVSA-N 0 1 265.372 3.655 20 0 CHADMN Clc1cnc2[nH]ccc2c1CN1CC2(C1)CCCCC2 ZINC001138952600 1131563138 /nfs/dbraw/zinc/56/31/38/1131563138.db2.gz UCWCHWBXPMVVEQ-UHFFFAOYSA-N 0 1 289.810 3.934 20 0 CHADMN CCOc1c(F)cc(CN2C[C@H](C)C[C@H](C)C2)cc1F ZINC001144030593 1131570524 /nfs/dbraw/zinc/57/05/24/1131570524.db2.gz GACGAGYUSQPPEA-TXEJJXNPSA-N 0 1 283.362 3.841 20 0 CHADMN CCOc1c(F)cc(CN2CCCC[C@H]2C)cc1F ZINC001144017554 1131571598 /nfs/dbraw/zinc/57/15/98/1131571598.db2.gz NNHAGPQFMVOYAU-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN COC[C@H]1CCN1Cc1ccc(-c2cccs2)s1 ZINC001139018517 1131573930 /nfs/dbraw/zinc/57/39/30/1131573930.db2.gz FMIULEKOKDCLMT-LLVKDONJSA-N 0 1 279.430 3.697 20 0 CHADMN COCC1CN(Cc2ccccc2Oc2ccccc2)C1 ZINC001139053368 1131577275 /nfs/dbraw/zinc/57/72/75/1131577275.db2.gz LITXGAYPNZKBAS-UHFFFAOYSA-N 0 1 283.371 3.557 20 0 CHADMN Fc1ccc(-c2cccc(CN3C[C@H]4CC[C@@H](C3)O4)c2)cc1 ZINC001139064901 1131578728 /nfs/dbraw/zinc/57/87/28/1131578728.db2.gz IVMOOJHBOHXUCX-KDURUIRLSA-N 0 1 297.373 3.856 20 0 CHADMN Clc1cc(CN2CCC23CCCC3)cc2c1OCO2 ZINC001139072244 1131579650 /nfs/dbraw/zinc/57/96/50/1131579650.db2.gz JPTPILGEPLSSMM-UHFFFAOYSA-N 0 1 279.767 3.587 20 0 CHADMN CCCC[C@H](C)C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC000226093343 1131581056 /nfs/dbraw/zinc/58/10/56/1131581056.db2.gz SQISZHDBGZQVLU-VIFPVBQESA-N 0 1 279.771 3.981 20 0 CHADMN CCn1ccc2ccc(CN3CCOC[C@@H]3C(C)C)cc21 ZINC001139120039 1131583458 /nfs/dbraw/zinc/58/34/58/1131583458.db2.gz JLAAVRUPTCOFBU-GOSISDBHSA-N 0 1 286.419 3.518 20 0 CHADMN COc1ccc2c(c1)c(CN1CCCCC13CC3)cn2C ZINC001139147684 1131585998 /nfs/dbraw/zinc/58/59/98/1131585998.db2.gz MRHHBZGMRNFLCQ-UHFFFAOYSA-N 0 1 284.403 3.705 20 0 CHADMN Cc1c(O)cccc1CN1CC[C@@H]1c1ccccc1 ZINC001144117574 1131586103 /nfs/dbraw/zinc/58/61/03/1131586103.db2.gz HNMYXQUENUDYPC-MRXNPFEDSA-N 0 1 253.345 3.648 20 0 CHADMN CN(CCC1CC1)Cc1cc(Cl)c(F)cc1F ZINC001144133593 1131589957 /nfs/dbraw/zinc/58/99/57/1131589957.db2.gz DTVUJEGUPQCFEO-UHFFFAOYSA-N 0 1 259.727 3.850 20 0 CHADMN CCc1cc(CN(C)Cc2ccc(C)nc2)cc(CC)c1O ZINC001144150028 1131591848 /nfs/dbraw/zinc/59/18/48/1131591848.db2.gz CZBXCAXXOCTTDG-UHFFFAOYSA-N 0 1 298.430 3.852 20 0 CHADMN Cc1cccc2[nH]cc(CN3CC[C@](C)(F)[C@@H](F)C3)c21 ZINC001139191733 1131593306 /nfs/dbraw/zinc/59/33/06/1131593306.db2.gz BFEWDAPTMPJJNZ-HOCLYGCPSA-N 0 1 278.346 3.748 20 0 CHADMN C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc2nsnc2c1 ZINC001139215040 1131597604 /nfs/dbraw/zinc/59/76/04/1131597604.db2.gz LYPDPZSLSPXDOY-GFCCVEGCSA-N 0 1 295.411 3.638 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1ccc2nsnc2c1 ZINC001139215040 1131597609 /nfs/dbraw/zinc/59/76/09/1131597609.db2.gz LYPDPZSLSPXDOY-GFCCVEGCSA-N 0 1 295.411 3.638 20 0 CHADMN c1ccc(C[N@@H+](Cc2ccc3nsnc3c2)C2CC2)cc1 ZINC001139215362 1131597813 /nfs/dbraw/zinc/59/78/13/1131597813.db2.gz NKJJAPPQLLFVMB-UHFFFAOYSA-N 0 1 295.411 3.856 20 0 CHADMN CC(C)C1CCN(Cc2[nH]nc3ccc(F)cc32)CC1 ZINC001144202299 1131598795 /nfs/dbraw/zinc/59/87/95/1131598795.db2.gz LZYFBTASQVVDMK-UHFFFAOYSA-N 0 1 275.371 3.570 20 0 CHADMN CN(Cc1cccnc1)Cc1ccc2cc(O)ccc2c1 ZINC001139336974 1131602619 /nfs/dbraw/zinc/60/26/19/1131602619.db2.gz GJNLFGDPMKKNGO-UHFFFAOYSA-N 0 1 278.355 3.572 20 0 CHADMN COc1cc(CN2CCC[C@H](C)C2)ccc1Br ZINC001144226974 1131602802 /nfs/dbraw/zinc/60/28/02/1131602802.db2.gz WFTPFKMNRLOZSH-NSHDSACASA-N 0 1 298.224 3.690 20 0 CHADMN Oc1ccc2cc(CN3CCc4occc4C3)ccc2c1 ZINC001139343409 1131603528 /nfs/dbraw/zinc/60/35/28/1131603528.db2.gz WRPMMYZHZLFDLJ-UHFFFAOYSA-N 0 1 279.339 3.697 20 0 CHADMN C[N@H+](Cc1cc(Cl)cnc1Cl)CC1CC(F)(F)C1 ZINC001139355271 1131604213 /nfs/dbraw/zinc/60/42/13/1131604213.db2.gz QZWHVMVKDQGMEL-UHFFFAOYSA-N 0 1 295.160 3.866 20 0 CHADMN CN(Cc1cc(Cl)cnc1Cl)CC1CC(F)(F)C1 ZINC001139355271 1131604216 /nfs/dbraw/zinc/60/42/16/1131604216.db2.gz QZWHVMVKDQGMEL-UHFFFAOYSA-N 0 1 295.160 3.866 20 0 CHADMN Oc1ccc(C[N@H+]2CCCC[C@@H]2c2ccccc2)nc1 ZINC001144252935 1131607241 /nfs/dbraw/zinc/60/72/41/1131607241.db2.gz FBEMVUDTQDNNHV-QGZVFWFLSA-N 0 1 268.360 3.514 20 0 CHADMN c1ccn(-c2ccc(CN3CCc4occc4C3)cc2)c1 ZINC001144250993 1131607250 /nfs/dbraw/zinc/60/72/50/1131607250.db2.gz DVJCCHINUYPQHC-UHFFFAOYSA-N 0 1 278.355 3.629 20 0 CHADMN F[C@@H]1CCN(Cc2ccc(-c3ccccc3)s2)C1 ZINC001139411740 1131607279 /nfs/dbraw/zinc/60/72/79/1131607279.db2.gz AULPRWIGTSPVHO-CYBMUJFWSA-N 0 1 261.365 3.959 20 0 CHADMN c1cc(-c2ccccc2)sc1CN1CC2(CSC2)C1 ZINC001139416767 1131608068 /nfs/dbraw/zinc/60/80/68/1131608068.db2.gz XSMLXPFRBVXADX-UHFFFAOYSA-N 0 1 287.453 3.964 20 0 CHADMN O=c1ccc(CN2CCC[C@@H]2c2cccc(Cl)c2)c[nH]1 ZINC001139469086 1131609600 /nfs/dbraw/zinc/60/96/00/1131609600.db2.gz ISMQAPHWBYEZID-OAHLLOKOSA-N 0 1 288.778 3.778 20 0 CHADMN O=c1ccc(CN2CCC[C@@H]2c2ccccc2Cl)c[nH]1 ZINC001139468455 1131609753 /nfs/dbraw/zinc/60/97/53/1131609753.db2.gz BWCQTWBEVZNOQV-OAHLLOKOSA-N 0 1 288.778 3.778 20 0 CHADMN CC1(C)CN(Cc2cc3ccc(Br)cc3[nH]2)C1 ZINC001139470081 1131609853 /nfs/dbraw/zinc/60/98/53/1131609853.db2.gz GNYSDCOIESUPJY-UHFFFAOYSA-N 0 1 293.208 3.772 20 0 CHADMN O=c1ccc(CN2CCC[C@@H]2c2ccc(Cl)s2)c[nH]1 ZINC001139468841 1131609873 /nfs/dbraw/zinc/60/98/73/1131609873.db2.gz WURQVHZUAIJWLJ-LLVKDONJSA-N 0 1 294.807 3.839 20 0 CHADMN FC(F)[C@@H]1CCCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC001139555209 1131616733 /nfs/dbraw/zinc/61/67/33/1131616733.db2.gz QZGJETVONWEWES-CYBMUJFWSA-N 0 1 291.345 3.554 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1cc(Cl)ccn1 ZINC001139565260 1131616879 /nfs/dbraw/zinc/61/68/79/1131616879.db2.gz RVIBGSIRBGZDBX-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN COC(=O)C[C@H](Nc1cc(C)cc(C)n1)C1CCCCC1 ZINC001160555351 1131619564 /nfs/dbraw/zinc/61/95/64/1131619564.db2.gz WCKIOWATEPGXDU-HNNXBMFYSA-N 0 1 290.407 3.622 20 0 CHADMN COC(=O)C[C@@H](Nc1cc(C)cc(C)n1)C1CCCCC1 ZINC001160555355 1131619577 /nfs/dbraw/zinc/61/95/77/1131619577.db2.gz WCKIOWATEPGXDU-OAHLLOKOSA-N 0 1 290.407 3.622 20 0 CHADMN Cc1cnc(Cl)c(CN2CCC(C(C)C)CC2)c1 ZINC001139594589 1131619891 /nfs/dbraw/zinc/61/98/91/1131619891.db2.gz CMFPOMSLQLZQFI-UHFFFAOYSA-N 0 1 266.816 3.911 20 0 CHADMN COc1cc(C[N@H+]2CCC[C@@H](C)C2)ccc1Cl ZINC001139610317 1131621415 /nfs/dbraw/zinc/62/14/15/1131621415.db2.gz BSXXIOVDLIXIKL-LLVKDONJSA-N 0 1 253.773 3.581 20 0 CHADMN Cc1nc(CN2CCC3(CCC(C)(C)O3)CC2)sc1C ZINC001144374997 1131622070 /nfs/dbraw/zinc/62/20/70/1131622070.db2.gz JJJAOQHBBZPWNO-UHFFFAOYSA-N 0 1 294.464 3.684 20 0 CHADMN CCOCC1CCN(Cc2ccc(Cl)c(OC)c2)CC1 ZINC001139614559 1131622557 /nfs/dbraw/zinc/62/25/57/1131622557.db2.gz JSPQYPHTXCKUEW-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN CCOc1ccc(CN2CCC(F)(F)CC2)cc1CC ZINC001139618602 1131623427 /nfs/dbraw/zinc/62/34/27/1131623427.db2.gz DEEPQYHREVSVBF-UHFFFAOYSA-N 0 1 283.362 3.879 20 0 CHADMN COc1cc(CN2CCC[C@@H](CF)C2)ccc1Cl ZINC001139621898 1131623535 /nfs/dbraw/zinc/62/35/35/1131623535.db2.gz QQUKKPZONNACJV-LBPRGKRZSA-N 0 1 271.763 3.530 20 0 CHADMN COc1ccc(CN2CCC(C(C)=O)CC2)cc1C(C)C ZINC001139621617 1131624022 /nfs/dbraw/zinc/62/40/22/1131624022.db2.gz OPWKBEAHQMOBJI-UHFFFAOYSA-N 0 1 289.419 3.620 20 0 CHADMN CCOc1ccncc1CN(C)CCCc1ccccc1 ZINC001139631448 1131624754 /nfs/dbraw/zinc/62/47/54/1131624754.db2.gz YUJKUTQVBCALKU-UHFFFAOYSA-N 0 1 284.403 3.545 20 0 CHADMN C[C@H]1CCN(Cc2ccc(-c3cccnc3)cc2)CCC1=O ZINC001139639464 1131625613 /nfs/dbraw/zinc/62/56/13/1131625613.db2.gz DQVINZQCSJQVLT-HNNXBMFYSA-N 0 1 294.398 3.550 20 0 CHADMN COc1ccc2c(c1)C[N@H+](Cc1c(C)cc(O)cc1C)CC2 ZINC001139711121 1131630812 /nfs/dbraw/zinc/63/08/12/1131630812.db2.gz BGDPPDDBHLWNMX-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1cnc2cccnc2c1 ZINC001139744027 1131634004 /nfs/dbraw/zinc/63/40/04/1131634004.db2.gz YFFOFYHOJIUXPB-CQSZACIVSA-N 0 1 289.382 3.577 20 0 CHADMN COc1ccc(CN(Cc2cccc(C)c2C)C2CC2)nc1 ZINC001144437352 1131635900 /nfs/dbraw/zinc/63/59/00/1131635900.db2.gz PVFKHDFCWJMCIN-UHFFFAOYSA-N 0 1 296.414 3.872 20 0 CHADMN CN(Cc1cccnc1)Cc1ccccc1C(F)F ZINC001139795411 1131636808 /nfs/dbraw/zinc/63/68/08/1131636808.db2.gz ASAVOQBNUQRRDW-UHFFFAOYSA-N 0 1 262.303 3.651 20 0 CHADMN Cc1cnc(CN2CCC3(CC[C@H](F)C3)CC2)s1 ZINC001139814056 1131638846 /nfs/dbraw/zinc/63/88/46/1131638846.db2.gz VASQZSIXHQOBIO-LBPRGKRZSA-N 0 1 268.401 3.556 20 0 CHADMN COCc1ccc(CN2CCc3ccc(C)cc3C2)s1 ZINC001139824510 1131639292 /nfs/dbraw/zinc/63/92/92/1131639292.db2.gz YMUCOSCDZVQFKC-UHFFFAOYSA-N 0 1 287.428 3.761 20 0 CHADMN COc1ncc(CN(Cc2ccccc2)C(C)(C)C)s1 ZINC001139814384 1131639441 /nfs/dbraw/zinc/63/94/41/1131639441.db2.gz BYYWZHSLLDTJFY-UHFFFAOYSA-N 0 1 290.432 3.952 20 0 CHADMN COCc1ccc(CN(C)Cc2cccs2)s1 ZINC001139827174 1131639966 /nfs/dbraw/zinc/63/99/66/1131639966.db2.gz QZJKBTSSUVOHCM-UHFFFAOYSA-N 0 1 267.419 3.588 20 0 CHADMN COC1(C)CN(Cc2cccc3c4ccccc4oc32)C1 ZINC001139857253 1131640990 /nfs/dbraw/zinc/64/09/90/1131640990.db2.gz GVFVDDACCAWPGP-UHFFFAOYSA-N 0 1 281.355 3.807 20 0 CHADMN CC[N@@H+](Cc1ccncc1)Cc1cc(Cl)cc(OC)c1 ZINC001144478376 1131641230 /nfs/dbraw/zinc/64/12/30/1131641230.db2.gz GFAUJNDISBSZNB-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN CCN(Cc1ccncc1)Cc1cc(Cl)cc(OC)c1 ZINC001144478376 1131641234 /nfs/dbraw/zinc/64/12/34/1131641234.db2.gz GFAUJNDISBSZNB-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN COc1cc(Cl)cc(CN2CCC23CCCC3)c1 ZINC001144480710 1131642205 /nfs/dbraw/zinc/64/22/05/1131642205.db2.gz DSIDHIFOMZCDCZ-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN Cn1c(CN2CCC(C(F)(F)F)CC2)cc2ccccc21 ZINC001139868636 1131642258 /nfs/dbraw/zinc/64/22/58/1131642258.db2.gz TUXDZHCFTWLGPP-UHFFFAOYSA-N 0 1 296.336 3.953 20 0 CHADMN Cn1c(CN2CCc3sccc3C2)cc2ccccc21 ZINC001139867686 1131642646 /nfs/dbraw/zinc/64/26/46/1131642646.db2.gz MLJGGPZSIGRYNR-UHFFFAOYSA-N 0 1 282.412 3.798 20 0 CHADMN CCN(Cc1cc2ccccc2n1C)Cc1cccnc1 ZINC001139871743 1131643311 /nfs/dbraw/zinc/64/33/11/1131643311.db2.gz OIZFEQZIQARAPB-UHFFFAOYSA-N 0 1 279.387 3.595 20 0 CHADMN COc1cc(Cl)cc(CN2CC(c3ccccc3)C2)c1 ZINC001144488761 1131644291 /nfs/dbraw/zinc/64/42/91/1131644291.db2.gz SFRFDGANCYXXTP-UHFFFAOYSA-N 0 1 287.790 3.948 20 0 CHADMN CN(Cc1cccs1)Cc1cc2ccccc2n1C ZINC001139871157 1131644463 /nfs/dbraw/zinc/64/44/63/1131644463.db2.gz ZHZXMHJMAJBTNJ-UHFFFAOYSA-N 0 1 270.401 3.872 20 0 CHADMN COc1ccc(CN2CC=CC2)cc1OCc1ccccc1 ZINC001144495177 1131646038 /nfs/dbraw/zinc/64/60/38/1131646038.db2.gz RLXVPGTUEBUSBG-UHFFFAOYSA-N 0 1 295.382 3.646 20 0 CHADMN COC1CCN(Cc2cc(C(F)(F)F)ccc2C)CC1 ZINC001139883765 1131646564 /nfs/dbraw/zinc/64/65/64/1131646564.db2.gz HLDDOTCJKIYFPJ-UHFFFAOYSA-N 0 1 287.325 3.625 20 0 CHADMN Cc1ncccc1CN(C)Cc1cncc2ccccc21 ZINC001139898598 1131649590 /nfs/dbraw/zinc/64/95/90/1131649590.db2.gz OULQXTMQKFRIAD-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN [O-]c1cccc2c(N3CCC[C@@]4(CC4(F)F)C3)cc[nH+]c12 ZINC000845742527 1131654661 /nfs/dbraw/zinc/65/46/61/1131654661.db2.gz KBGZUFDUGQOZMV-OAHLLOKOSA-N 0 1 290.313 3.566 20 0 CHADMN F[C@H]1CC[N@@H+](Cc2cc3ccccc3cn2)CCC1(F)F ZINC001139994679 1131654676 /nfs/dbraw/zinc/65/46/76/1131654676.db2.gz BUFSKRFXJBUWHY-HNNXBMFYSA-N 0 1 294.320 3.804 20 0 CHADMN F[C@H]1CCN(Cc2cc3ccccc3cn2)CCC1(F)F ZINC001139994679 1131654677 /nfs/dbraw/zinc/65/46/77/1131654677.db2.gz BUFSKRFXJBUWHY-HNNXBMFYSA-N 0 1 294.320 3.804 20 0 CHADMN Clc1ncc(CN2CC[C@H](C3CCCCC3)C2)cn1 ZINC001139991386 1131655302 /nfs/dbraw/zinc/65/53/02/1131655302.db2.gz IMSLYLUUYXVSAN-AWEZNQCLSA-N 0 1 279.815 3.532 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC001140048572 1131658148 /nfs/dbraw/zinc/65/81/48/1131658148.db2.gz KUUFHGOIJRHYFW-CQSZACIVSA-N 0 1 277.364 3.930 20 0 CHADMN Oc1ccc(F)c(CN2CCC[C@@H]2c2cccs2)c1 ZINC001140048572 1131658149 /nfs/dbraw/zinc/65/81/49/1131658149.db2.gz KUUFHGOIJRHYFW-CQSZACIVSA-N 0 1 277.364 3.930 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC001140045455 1131658770 /nfs/dbraw/zinc/65/87/70/1131658770.db2.gz JMWQWCABDXGYBO-UHFFFAOYSA-N 0 1 263.356 3.688 20 0 CHADMN CSc1nccc(CN2CCCC[C@@H]2c2ccccc2)n1 ZINC001140032629 1131658960 /nfs/dbraw/zinc/65/89/60/1131658960.db2.gz GIHLVBDXJBGKAM-MRXNPFEDSA-N 0 1 299.443 3.926 20 0 CHADMN COc1c(Cl)cccc1C[N@@H+](C)Cc1ccccc1 ZINC001140056035 1131660403 /nfs/dbraw/zinc/66/04/03/1131660403.db2.gz FEOXUNUMYRVQQI-UHFFFAOYSA-N 0 1 275.779 3.981 20 0 CHADMN COc1c(Cl)cccc1CN(C)Cc1ccccc1 ZINC001140056035 1131660411 /nfs/dbraw/zinc/66/04/11/1131660411.db2.gz FEOXUNUMYRVQQI-UHFFFAOYSA-N 0 1 275.779 3.981 20 0 CHADMN Oc1ccc(CN2CCC(OC3CCC3)CC2)c(Cl)c1 ZINC001140082656 1131662964 /nfs/dbraw/zinc/66/29/64/1131662964.db2.gz WWKLRBQMBAZZBO-UHFFFAOYSA-N 0 1 295.810 3.579 20 0 CHADMN FC(F)(F)c1ccnc(CN2CCCCCCC2)c1 ZINC001140107995 1131663760 /nfs/dbraw/zinc/66/37/60/1131663760.db2.gz KNZQHSUDOXWTSM-UHFFFAOYSA-N 0 1 272.314 3.867 20 0 CHADMN FC(F)(F)c1ccnc(CN2CCC[C@H]3CCC[C@H]32)c1 ZINC001140107680 1131664096 /nfs/dbraw/zinc/66/40/96/1131664096.db2.gz BFJQALPLYCZEQA-BXUZGUMPSA-N 0 1 284.325 3.865 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1cc(C(F)(F)F)ccn1 ZINC001140101992 1131664423 /nfs/dbraw/zinc/66/44/23/1131664423.db2.gz GOSKTIITCZHBHH-PHIMTYICSA-N 0 1 272.314 3.863 20 0 CHADMN Fc1cccc(CN(Cc2ccccc2)C2CCC2)n1 ZINC001140135779 1131666505 /nfs/dbraw/zinc/66/65/05/1131666505.db2.gz RBLDEAREZXVJJY-UHFFFAOYSA-N 0 1 270.351 3.775 20 0 CHADMN CN(Cc1ccc(-c2ccncc2)cc1)Cc1ccccn1 ZINC001140168269 1131670829 /nfs/dbraw/zinc/67/08/29/1131670829.db2.gz WYYJMOACGYCRTJ-UHFFFAOYSA-N 0 1 289.382 3.776 20 0 CHADMN CC(C)[C@H]1CC[C@H](C(=O)NCc2[nH]nc3ccccc32)CC1 ZINC001144656174 1131674562 /nfs/dbraw/zinc/67/45/62/1131674562.db2.gz QTUDNEYRMUZPQN-HDJSIYSDSA-N 0 1 299.418 3.642 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1cc(F)c([O-])cc1F ZINC001144666724 1131676951 /nfs/dbraw/zinc/67/69/51/1131676951.db2.gz NLXRFWCXMJMHSD-GFCCVEGCSA-N 0 1 269.335 3.825 20 0 CHADMN CCc1cccc(CNCc2ncc(C)c(OC)c2C)c1 ZINC000846056056 1131679188 /nfs/dbraw/zinc/67/91/88/1131679188.db2.gz KKTRWZVTARLJME-UHFFFAOYSA-N 0 1 284.403 3.559 20 0 CHADMN Oc1cccc2[nH]cc(CN3CCC[C@H]3c3cccnc3)c21 ZINC001140231164 1131679882 /nfs/dbraw/zinc/67/98/82/1131679882.db2.gz FKHUGLQXZVSEHL-INIZCTEOSA-N 0 1 293.370 3.606 20 0 CHADMN C[C@@]1(CC[NH2+]Cc2cccc([O-])c2Cl)C[C@@]1(F)Cl ZINC000846035984 1131681813 /nfs/dbraw/zinc/68/18/13/1131681813.db2.gz KRYODZMDDUPJRB-OLZOCXBDSA-N 0 1 292.181 3.840 20 0 CHADMN CCCN(CCC)c1ccc(NCC2(C)COC2)cc1 ZINC000846070281 1131685125 /nfs/dbraw/zinc/68/51/25/1131685125.db2.gz QTYWFQLKHXXXPX-UHFFFAOYSA-N 0 1 276.424 3.761 20 0 CHADMN CCCN(CCC)c1ccc(NCc2cn(C)cn2)cc1 ZINC000846069479 1131685798 /nfs/dbraw/zinc/68/57/98/1131685798.db2.gz ILLMHXTYXJEMHA-UHFFFAOYSA-N 0 1 286.423 3.659 20 0 CHADMN CCc1cccc(CNCc2ccnc(Cl)c2F)c1 ZINC000846100166 1131689430 /nfs/dbraw/zinc/68/94/30/1131689430.db2.gz JUYVIYWQFOUTSU-UHFFFAOYSA-N 0 1 278.758 3.726 20 0 CHADMN CC[C@H](N[C@@H](C)c1cc(C)nn1C)c1ccccc1F ZINC000846188593 1131697743 /nfs/dbraw/zinc/69/77/43/1131697743.db2.gz GWQLEMQXVJPCJQ-WFASDCNBSA-N 0 1 275.371 3.670 20 0 CHADMN C/C(=C/C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000846235420 1131701519 /nfs/dbraw/zinc/70/15/19/1131701519.db2.gz FJHJUTHZQDXDFP-QAAVPBIRSA-N 0 1 285.387 3.559 20 0 CHADMN C/C(=C/C[N@H+]([C@H](C)c1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000846239607 1131703349 /nfs/dbraw/zinc/70/33/49/1131703349.db2.gz SNACIFRRQJZTGF-UCQJPZFISA-N 0 1 293.794 3.896 20 0 CHADMN C[C@H](N[C@H]1CCC1(C)C)c1nc(Br)cs1 ZINC000834798526 1131706815 /nfs/dbraw/zinc/70/68/15/1131706815.db2.gz HVJIXPJMRPZYHP-YUMQZZPRSA-N 0 1 289.242 3.745 20 0 CHADMN CC(C)[C@H]1COCCN1Cc1ccc(-c2ccccn2)cc1 ZINC001140381207 1131709246 /nfs/dbraw/zinc/70/92/46/1131709246.db2.gz QVUBZZXAQKXDPN-LJQANCHMSA-N 0 1 296.414 3.605 20 0 CHADMN CC[C@@H](C)[C@H](C)N(C(=O)c1cc(F)cc(F)c1O)C1CC1 ZINC001144848479 1131712566 /nfs/dbraw/zinc/71/25/66/1131712566.db2.gz BHVSHENONQHYRL-ZJUUUORDSA-N 0 1 297.345 3.710 20 0 CHADMN CC1(C)CN(Cc2cnc(-c3cccc(F)c3)s2)C1 ZINC001140416445 1131720118 /nfs/dbraw/zinc/72/01/18/1131720118.db2.gz DSUOTXCQLDJXSP-UHFFFAOYSA-N 0 1 276.380 3.791 20 0 CHADMN Cc1ncccc1CN(C)Cc1ccc2c(c1)CCC2 ZINC001203035336 1131726615 /nfs/dbraw/zinc/72/66/15/1131726615.db2.gz YHWHUBHQGGUTML-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN CCN1CC[C@H](Oc2c(C)cc(Cl)cc2Cl)C1 ZINC001227725489 1131728565 /nfs/dbraw/zinc/72/85/65/1131728565.db2.gz XYOZZKKTRHGADJ-NSHDSACASA-N 0 1 274.191 3.775 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1cnc2ccc(Cl)cn12 ZINC001140426343 1131730948 /nfs/dbraw/zinc/73/09/48/1131730948.db2.gz IRQACIUBOQUFGX-VXGBXAGGSA-N 0 1 277.799 3.751 20 0 CHADMN Clc1ccc2ncc(CN3CC[C@H]4CCC[C@@H]4C3)n2c1 ZINC001140429671 1131733215 /nfs/dbraw/zinc/73/32/15/1131733215.db2.gz PJONQNAWHARBLQ-CHWSQXEVSA-N 0 1 289.810 3.610 20 0 CHADMN CC(C)C1CCN(Cc2cnc3ccc(Cl)cn23)CC1 ZINC001140432140 1131735011 /nfs/dbraw/zinc/73/50/11/1131735011.db2.gz XQCKKPATPAPPQB-UHFFFAOYSA-N 0 1 291.826 3.856 20 0 CHADMN Cc1ccc(Cl)nc1CN1CCC2(CC(F)C2)CC1 ZINC001140443077 1131738448 /nfs/dbraw/zinc/73/84/48/1131738448.db2.gz ZVYFXVBJWWWBET-UHFFFAOYSA-N 0 1 282.790 3.758 20 0 CHADMN Cc1nc([C@@H](C)NCCCOc2cccc(C)c2)cs1 ZINC000772954082 1131744606 /nfs/dbraw/zinc/74/46/06/1131744606.db2.gz VXZXVPLCHZBAHZ-CYBMUJFWSA-N 0 1 290.432 3.880 20 0 CHADMN C[C@@H](Oc1[nH]c(=O)nc2cc[nH]c21)c1csc(Cl)c1 ZINC001227806365 1131745306 /nfs/dbraw/zinc/74/53/06/1131745306.db2.gz HVIVHQYTFLUHNJ-ZCFIWIBFSA-N 0 1 295.751 3.518 20 0 CHADMN COc1cc(CN2CC[C@@](C)(C(F)(F)F)C2)ccc1F ZINC001330639143 1131763149 /nfs/dbraw/zinc/76/31/49/1131763149.db2.gz RIMHKXKOODRWOE-CYBMUJFWSA-N 0 1 291.288 3.609 20 0 CHADMN Cl/C=C\CN1CCC(c2ccc3cccnc3n2)CC1 ZINC000847035568 1131770503 /nfs/dbraw/zinc/77/05/03/1131770503.db2.gz QAJJTPOPISQALW-WAPJZHGLSA-N 0 1 287.794 3.562 20 0 CHADMN Fc1cc(Cl)cc(CN2CCCCC23CC3)c1 ZINC001140542174 1131785933 /nfs/dbraw/zinc/78/59/33/1131785933.db2.gz FYEGUKHZCVPQFZ-UHFFFAOYSA-N 0 1 253.748 3.998 20 0 CHADMN CN(Cc1cccc(O)c1Br)C[C@H]1CC1(C)C ZINC001140550093 1131789320 /nfs/dbraw/zinc/78/93/20/1131789320.db2.gz DJMVQNBTKWABCX-LLVKDONJSA-N 0 1 298.224 3.633 20 0 CHADMN Fc1cccc(CN(CC2CC2)C2CC2)c1Cl ZINC001140563911 1131794730 /nfs/dbraw/zinc/79/47/30/1131794730.db2.gz KDICKLVSHARHHH-UHFFFAOYSA-N 0 1 253.748 3.854 20 0 CHADMN COCC[C@@H]1CCCCN1Cc1cccc(F)c1Cl ZINC001140562828 1131795203 /nfs/dbraw/zinc/79/52/03/1131795203.db2.gz IMKXJNJWVSDPGD-ZDUSSCGKSA-N 0 1 285.790 3.870 20 0 CHADMN Fc1cnc(Cl)cc1CN1CC[C@@H](c2ccccc2)C1 ZINC001140605847 1131824774 /nfs/dbraw/zinc/82/47/74/1131824774.db2.gz NCDLAQBQMRDMNC-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN COc1ccc(Cl)c2c1C[C@@H](N1CC(C)(C)C1)CC2 ZINC001171315397 1131836677 /nfs/dbraw/zinc/83/66/77/1131836677.db2.gz IILIRAPIVNMDOA-NSHDSACASA-N 0 1 279.811 3.548 20 0 CHADMN C[N@@H+](Cc1ccsc1)Cc1cccc2ccncc21 ZINC001140643687 1131842638 /nfs/dbraw/zinc/84/26/38/1131842638.db2.gz IPYNTAIAIMYELM-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN COc1ccc(CN2CCOC3(CCCCC3)C2)c(C)c1 ZINC001140676783 1131857314 /nfs/dbraw/zinc/85/73/14/1131857314.db2.gz LVWCRXVFIMYLRR-UHFFFAOYSA-N 0 1 289.419 3.539 20 0 CHADMN O=C(OC[C@H]1CCCCC1(F)F)c1cccc2[nH]ncc21 ZINC000835646873 1131865556 /nfs/dbraw/zinc/86/55/56/1131865556.db2.gz LZTQKUOVDZWOLY-SNVBAGLBSA-N 0 1 294.301 3.545 20 0 CHADMN Cc1noc([C@H](C)N[C@H](C)CCSc2ccccc2)n1 ZINC000348098918 1131881974 /nfs/dbraw/zinc/88/19/74/1131881974.db2.gz VMFGFTGHSBKWEK-NEPJUHHUSA-N 0 1 291.420 3.600 20 0 CHADMN Fc1ccc2oc(CN3CCCC4(CCC4)C3)nc2c1 ZINC000348173605 1131897523 /nfs/dbraw/zinc/89/75/23/1131897523.db2.gz AIQVGTCMBZEERI-UHFFFAOYSA-N 0 1 274.339 3.733 20 0 CHADMN Fc1ccc(F)c(CN2CCCC3(CCC3)C2)c1 ZINC000348175090 1131898553 /nfs/dbraw/zinc/89/85/53/1131898553.db2.gz CUMGGIIJIKMAMW-UHFFFAOYSA-N 0 1 251.320 3.731 20 0 CHADMN CCCCC[C@@H](CC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228509343 1131900170 /nfs/dbraw/zinc/90/01/70/1131900170.db2.gz NEFDZAZLLQJIIA-SECBINFHSA-N 0 1 282.775 3.744 20 0 CHADMN CC[C@@H]1CCC[C@@H]1NCc1nnc(Cc2ccccc2C)o1 ZINC000348175645 1131900456 /nfs/dbraw/zinc/90/04/56/1131900456.db2.gz YSNDYPIDZJYSPH-ZBFHGGJFSA-N 0 1 299.418 3.637 20 0 CHADMN Brc1ccnc(CN2CCCCCCC2)c1 ZINC001140765688 1131909367 /nfs/dbraw/zinc/90/93/67/1131909367.db2.gz KYNKBDIZKMNGNA-UHFFFAOYSA-N 0 1 283.213 3.610 20 0 CHADMN CN(Cc1coc2ccccc12)C1CC(F)(F)C1 ZINC001140782398 1131916468 /nfs/dbraw/zinc/91/64/68/1131916468.db2.gz CXDQMHIQCDUOQP-UHFFFAOYSA-N 0 1 251.276 3.662 20 0 CHADMN c1oc2ccccc2c1CN1CCC[C@@H]1c1cnccn1 ZINC001140786879 1131918236 /nfs/dbraw/zinc/91/82/36/1131918236.db2.gz OMCCCKMNPIGOIE-MRXNPFEDSA-N 0 1 279.343 3.560 20 0 CHADMN CCCO[C@@H]1CCN(Cc2ccc(C)cc2Cl)C1 ZINC001140798813 1131923490 /nfs/dbraw/zinc/92/34/90/1131923490.db2.gz VRDJJCVOYGKJLN-CQSZACIVSA-N 0 1 267.800 3.649 20 0 CHADMN CCOc1cccc([C@H](C)N[C@H]2CCCc3c[nH]nc32)c1 ZINC000773068220 1131935016 /nfs/dbraw/zinc/93/50/16/1131935016.db2.gz ZANMYIUVCGJJOJ-LRDDRELGSA-N 0 1 285.391 3.537 20 0 CHADMN CCC[C@H](NCc1cccc(F)n1)c1ccccc1 ZINC000773085180 1131941597 /nfs/dbraw/zinc/94/15/97/1131941597.db2.gz GEUVOAQKFXRNND-HNNXBMFYSA-N 0 1 258.340 3.852 20 0 CHADMN [O-]c1c(Cl)cc(C[N@@H+]2CCC[C@H]3C[C@H]32)cc1Cl ZINC001140836387 1131942225 /nfs/dbraw/zinc/94/22/25/1131942225.db2.gz YCUSJRKNGBKWQE-JOYOIKCWSA-N 0 1 272.175 3.683 20 0 CHADMN [O-]c1c(Cl)cc(C[N@H+]2CCC[C@H]3C[C@H]32)cc1Cl ZINC001140836387 1131942231 /nfs/dbraw/zinc/94/22/31/1131942231.db2.gz YCUSJRKNGBKWQE-JOYOIKCWSA-N 0 1 272.175 3.683 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc[nH]1)c1cnn(Cc2ccccc2)c1 ZINC000773116291 1131949100 /nfs/dbraw/zinc/94/91/00/1131949100.db2.gz IUOGOXJOQDLUAA-HUUCEWRRSA-N 0 1 294.402 3.671 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1cnn(Cc2ccccc2)c1 ZINC000773116289 1131949267 /nfs/dbraw/zinc/94/92/67/1131949267.db2.gz IUOGOXJOQDLUAA-CABCVRRESA-N 0 1 294.402 3.671 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnn(Cc2ccccc2)c1)c1ccc[nH]1 ZINC000773116292 1131949533 /nfs/dbraw/zinc/94/95/33/1131949533.db2.gz IUOGOXJOQDLUAA-LSDHHAIUSA-N 0 1 294.402 3.671 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc[nH]1)c1cnn(-c2ccccc2)c1 ZINC000773119350 1131950449 /nfs/dbraw/zinc/95/04/49/1131950449.db2.gz OEMPWLWWRAQGBF-ZIAGYGMSSA-N 0 1 280.375 3.612 20 0 CHADMN C[C@H]1CCCN(Cc2cnccc2C(F)(F)F)[C@H]1C ZINC001140918417 1131963987 /nfs/dbraw/zinc/96/39/87/1131963987.db2.gz PFDQTRFTVKJREX-QWRGUYRKSA-N 0 1 272.314 3.721 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2cnccc2C(F)(F)F)C1 ZINC001140919109 1131964246 /nfs/dbraw/zinc/96/42/46/1131964246.db2.gz IZHDFJBRIZAQRA-PHIMTYICSA-N 0 1 272.314 3.578 20 0 CHADMN COc1cccc([C@H]2CCCCN2Cc2nccnc2C)c1 ZINC001140937757 1131967399 /nfs/dbraw/zinc/96/73/99/1131967399.db2.gz YXFFNCGATGCRBY-GOSISDBHSA-N 0 1 297.402 3.521 20 0 CHADMN CSc1ccccc1[C@@H]1CCCN1Cc1nccnc1C ZINC001140938330 1131968355 /nfs/dbraw/zinc/96/83/55/1131968355.db2.gz LCSMMAOSVACULT-INIZCTEOSA-N 0 1 299.443 3.844 20 0 CHADMN Cc1cccc(C[N@@H+](Cc2ccc(C(=O)[O-])o2)C2CC2)c1C ZINC001140949273 1131970078 /nfs/dbraw/zinc/97/00/78/1131970078.db2.gz WKQRJYCIIIRCRC-UHFFFAOYSA-N 0 1 299.370 3.759 20 0 CHADMN Cc1cccc(C[N@H+](C)Cc2cc(F)c([O-])c(F)c2)c1 ZINC001140987762 1131979110 /nfs/dbraw/zinc/97/91/10/1131979110.db2.gz CMOVVBYXTJEHJA-UHFFFAOYSA-N 0 1 277.314 3.611 20 0 CHADMN C[C@H](Oc1ccc2c(c1)CC[N@H+](C)C2)C1CCCC1 ZINC001228946005 1131983227 /nfs/dbraw/zinc/98/32/27/1131983227.db2.gz ZIDYKIQHDSKWBT-ZDUSSCGKSA-N 0 1 259.393 3.632 20 0 CHADMN FC(F)(F)c1n[nH]cc1CN1CCCCCCCC1 ZINC001141018218 1131984492 /nfs/dbraw/zinc/98/44/92/1131984492.db2.gz MZCNGABRBSSKKK-UHFFFAOYSA-N 0 1 275.318 3.585 20 0 CHADMN CCC[C@H]1CCCCN1Cc1c[nH]nc1C(F)(F)F ZINC001141015847 1131985705 /nfs/dbraw/zinc/98/57/05/1131985705.db2.gz ZVGJEIGNXAUFRQ-NSHDSACASA-N 0 1 275.318 3.583 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccncc1)c1ccccc1OC ZINC000036995127 1131988680 /nfs/dbraw/zinc/98/86/80/1131988680.db2.gz NAECYUVITYQKEY-BBRMVZONSA-N 0 1 270.376 3.892 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cnccc1C ZINC001141035891 1131991052 /nfs/dbraw/zinc/99/10/52/1131991052.db2.gz FPLOZNUZXDJFAC-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN Clc1ccccc1C1CC(Oc2nnc3c[nH]ccc2-3)C1 ZINC001228990636 1131993609 /nfs/dbraw/zinc/99/36/09/1131993609.db2.gz RXSKMIBVOQVIBK-UHFFFAOYSA-N 0 1 299.761 3.936 20 0 CHADMN Clc1ccc2c(c1)[C@@H](Oc1nnc3c[nH]ccc1-3)CC2 ZINC001228995073 1131995256 /nfs/dbraw/zinc/99/52/56/1131995256.db2.gz MPHOAZDPTDYVPW-AWEZNQCLSA-N 0 1 285.734 3.678 20 0 CHADMN CC(C)Oc1cccc(CN[C@H](C)c2ccns2)c1 ZINC000715922336 1131995819 /nfs/dbraw/zinc/99/58/19/1131995819.db2.gz RZSALKPBEANKRP-GFCCVEGCSA-N 0 1 276.405 3.781 20 0 CHADMN CCCOc1ccc(CN[C@H](C)c2ccns2)cc1 ZINC000715929159 1131996138 /nfs/dbraw/zinc/99/61/38/1131996138.db2.gz AMGAPJDHSIMIHY-GFCCVEGCSA-N 0 1 276.405 3.783 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccns1)c1ccccc1OC ZINC000715931467 1131996914 /nfs/dbraw/zinc/99/69/14/1131996914.db2.gz LGNGQLLCDYACMJ-WCQYABFASA-N 0 1 276.405 3.954 20 0 CHADMN c1ccc(C[N@H+]2CC[C@@H](Oc3ncccc3C3CC3)C2)cc1 ZINC001229020346 1132000662 /nfs/dbraw/zinc/00/06/62/1132000662.db2.gz KMXSGRCIQQXDHV-QGZVFWFLSA-N 0 1 294.398 3.612 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@@H](C)c2ccns2)s1 ZINC000716033280 1132001127 /nfs/dbraw/zinc/00/11/27/1132001127.db2.gz JKGTUFHOPLEVGC-YUMQZZPRSA-N 0 1 267.423 3.628 20 0 CHADMN C[C@@H](NCc1cc(Cl)cs1)c1ccns1 ZINC000716028731 1132001224 /nfs/dbraw/zinc/00/12/24/1132001224.db2.gz FXMZRSYKOGPZAA-SSDOTTSWSA-N 0 1 258.799 3.709 20 0 CHADMN CCCN(C)Cc1cc2cc(OC)ccc2nc1Cl ZINC001141062142 1132001719 /nfs/dbraw/zinc/00/17/19/1132001719.db2.gz WXTYLAZUAXGDTJ-UHFFFAOYSA-N 0 1 278.783 3.739 20 0 CHADMN CC[C@@H](C)[N@@H+](C)Cc1ccncc1NC(=O)OC(C)(C)C ZINC001141081911 1132007366 /nfs/dbraw/zinc/00/73/66/1132007366.db2.gz RTJYNKDVCGQMKK-GFCCVEGCSA-N 0 1 293.411 3.659 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCCCCCCC2)[nH]1 ZINC000836921484 1132011262 /nfs/dbraw/zinc/01/12/62/1132011262.db2.gz HWRDPQPZJUWEIQ-UHFFFAOYSA-N 0 1 285.391 3.668 20 0 CHADMN CN(C)Cc1ccsc1C(=O)N1CCCCCCCC1 ZINC000836922619 1132011764 /nfs/dbraw/zinc/01/17/64/1132011764.db2.gz CWYDEFVNUSCUJN-UHFFFAOYSA-N 0 1 294.464 3.606 20 0 CHADMN Cc1[nH]nc(CNCc2ccc(Cl)cc2Cl)c1C ZINC000716477401 1132026846 /nfs/dbraw/zinc/02/68/46/1132026846.db2.gz MZOYDLWQWYFLGR-UHFFFAOYSA-N 0 1 284.190 3.623 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2c2ccncc2)c(F)c1 ZINC001141195078 1132039653 /nfs/dbraw/zinc/03/96/53/1132039653.db2.gz ZNEUPXXBCASYOV-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(F)c1 ZINC001141192103 1132040159 /nfs/dbraw/zinc/04/01/59/1132040159.db2.gz GKEXJIOWFPQYLG-BETUJISGSA-N 0 1 269.310 3.611 20 0 CHADMN Cc1ccc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)c(F)c1 ZINC001141192103 1132040164 /nfs/dbraw/zinc/04/01/64/1132040164.db2.gz GKEXJIOWFPQYLG-BETUJISGSA-N 0 1 269.310 3.611 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(F)(F)F)C2)c(F)c1 ZINC001141196882 1132042015 /nfs/dbraw/zinc/04/20/15/1132042015.db2.gz WUPSZJQEXCFDCY-NSHDSACASA-N 0 1 261.262 3.518 20 0 CHADMN CC(C)C[C@@H](C)N1CCN(c2c(F)cccc2F)CC1 ZINC001171511370 1132047810 /nfs/dbraw/zinc/04/78/10/1132047810.db2.gz UGCGNXZLFMGMQC-CYBMUJFWSA-N 0 1 282.378 3.521 20 0 CHADMN CCc1coc(CN[C@H](C)CCc2ccc(C)cc2)n1 ZINC001171655664 1132069694 /nfs/dbraw/zinc/06/96/94/1132069694.db2.gz LLBWFMVWBNNEMW-CQSZACIVSA-N 0 1 272.392 3.656 20 0 CHADMN Cc1ccc(CC[C@H](C)NCc2ncc(Cl)cn2)cc1 ZINC001171660996 1132070123 /nfs/dbraw/zinc/07/01/23/1132070123.db2.gz UTJGBYBLTSJIHM-ZDUSSCGKSA-N 0 1 289.810 3.549 20 0 CHADMN CC[C@H]1CN(CCOc2cccc3ccccc32)[C@@H](C)CO1 ZINC001171705691 1132084717 /nfs/dbraw/zinc/08/47/17/1132084717.db2.gz DPYGLCRBKBTYEK-RDJZCZTQSA-N 0 1 299.414 3.718 20 0 CHADMN COc1ccsc1C[N@@H+](C)CCc1cccc(F)c1 ZINC001141329089 1132088984 /nfs/dbraw/zinc/08/89/84/1132088984.db2.gz DSKQJCIPXFDKQO-UHFFFAOYSA-N 0 1 279.380 3.570 20 0 CHADMN Fc1cccc2c1C[C@H](NCc1c(F)ccc(F)c1F)C2 ZINC001171773202 1132093321 /nfs/dbraw/zinc/09/33/21/1132093321.db2.gz IQYCWLKKIPECHX-SNVBAGLBSA-N 0 1 295.279 3.500 20 0 CHADMN CC[C@@H]1CN(Cc2cnc3ccc(C)cc3c2)[C@@H](CC)CO1 ZINC001171779535 1132098835 /nfs/dbraw/zinc/09/88/35/1132098835.db2.gz ZHCJCCOYDOGRQO-ZWKOTPCHSA-N 0 1 298.430 3.933 20 0 CHADMN CCN(Cc1cccc(-c2ccsc2)c1)C1COC1 ZINC001141384575 1132109279 /nfs/dbraw/zinc/10/92/79/1132109279.db2.gz PDBJXJJXZBVQJV-UHFFFAOYSA-N 0 1 273.401 3.636 20 0 CHADMN COc1ccc2nc(O[C@@H](C)c3ccc(F)cc3)[nH]c2c1 ZINC001229730462 1132111184 /nfs/dbraw/zinc/11/11/84/1132111184.db2.gz QPQOSJWPWKHQAU-JTQLQIEISA-N 0 1 286.306 3.851 20 0 CHADMN CCc1cc(F)c(O[C@@H]2CCC[N@H+](C(C)C)C2)c(F)c1 ZINC001229968025 1132137806 /nfs/dbraw/zinc/13/78/06/1132137806.db2.gz UDIBEJQEZLOKHL-CYBMUJFWSA-N 0 1 283.362 3.779 20 0 CHADMN CCc1cc(F)c(O[C@@H]2CCCN(C(C)C)C2)c(F)c1 ZINC001229968025 1132137808 /nfs/dbraw/zinc/13/78/08/1132137808.db2.gz UDIBEJQEZLOKHL-CYBMUJFWSA-N 0 1 283.362 3.779 20 0 CHADMN Cc1ncn(C)c1Nc1c(F)cc(F)c(OC(C)C)c1F ZINC001212643795 1132138455 /nfs/dbraw/zinc/13/84/55/1132138455.db2.gz FNYAVSKNCAZGBD-UHFFFAOYSA-N 0 1 299.296 3.677 20 0 CHADMN CCOC(=O)CC(C)(C)CN1CC[C@H]1c1cccc(F)c1 ZINC000838850545 1132150076 /nfs/dbraw/zinc/15/00/76/1132150076.db2.gz QDLJVMGJHHUNQO-HNNXBMFYSA-N 0 1 293.382 3.552 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)NCc1c(F)ccc(F)c1F ZINC001172321363 1132159730 /nfs/dbraw/zinc/15/97/30/1132159730.db2.gz JSQWZTSTMGOVDU-MNOVXSKESA-N 0 1 289.341 3.787 20 0 CHADMN CC(=O)[C@@H](Oc1cc2cn[nH]c2cc1C)c1ccccc1 ZINC001230224894 1132161610 /nfs/dbraw/zinc/16/16/10/1132161610.db2.gz BVQHGKVQSYPCDO-QGZVFWFLSA-N 0 1 280.327 3.580 20 0 CHADMN CCCC(=O)[C@@H](CCC)Oc1cc2cn[nH]c2cc1C ZINC001230223379 1132162319 /nfs/dbraw/zinc/16/23/19/1132162319.db2.gz PXOKAOQBGXSHKA-OAHLLOKOSA-N 0 1 274.364 3.788 20 0 CHADMN Cc1cc2[nH]ncc2cc1OCc1cccnc1OC(C)C ZINC001230225548 1132162905 /nfs/dbraw/zinc/16/29/05/1132162905.db2.gz UUYJMDWHJQIYQZ-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN CC1(C)C[C@@H](N2CCC[C@H]2c2c(F)cccc2F)CO1 ZINC001172293043 1132165816 /nfs/dbraw/zinc/16/58/16/1132165816.db2.gz PFZMYNPVWNENAC-RISCZKNCSA-N 0 1 281.346 3.669 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)N1CCC[C@H]1c1nccs1 ZINC001172352704 1132182842 /nfs/dbraw/zinc/18/28/42/1132182842.db2.gz IKRQLEQCHPPANF-RDBSUJKOSA-N 0 1 282.453 3.874 20 0 CHADMN CCCCCC[C@H](CCC)n1nc(COC)c2c1CNC2 ZINC001172387141 1132212793 /nfs/dbraw/zinc/21/27/93/1132212793.db2.gz INQMHBUJSSAEOP-AWEZNQCLSA-N 0 1 293.455 3.944 20 0 CHADMN Cc1ccc2c(c1)nc(=O)[nH]c2O[C@@H](C)c1cccc(F)c1 ZINC001230889229 1132224393 /nfs/dbraw/zinc/22/43/93/1132224393.db2.gz SSLSJPNZCXVQBK-NSHDSACASA-N 0 1 298.317 3.923 20 0 CHADMN Cl/C=C/CN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000839651391 1132227960 /nfs/dbraw/zinc/22/79/60/1132227960.db2.gz HSWBLTJUUHRDDS-ULYATVDSSA-N 0 1 277.795 3.593 20 0 CHADMN c1ccc2c(c1)Cc1cc(CN3CCCC34COC4)ccc1-2 ZINC001141739469 1132243523 /nfs/dbraw/zinc/24/35/23/1132243523.db2.gz JTBNKWCEUXKGSR-UHFFFAOYSA-N 0 1 291.394 3.623 20 0 CHADMN O=C(Cc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1O ZINC001141877045 1132260060 /nfs/dbraw/zinc/26/00/60/1132260060.db2.gz CAAVEFXSVLWSKK-UHFFFAOYSA-N 0 1 297.688 3.505 20 0 CHADMN CC1(C)CCC(C(=O)Nc2ccc(F)c(F)c2O)CC1 ZINC001141880085 1132260897 /nfs/dbraw/zinc/26/08/97/1132260897.db2.gz OIQCHJUPTNHPFR-UHFFFAOYSA-N 0 1 283.318 3.825 20 0 CHADMN Clc1cnc(CN[C@@H]2CC[C@@H](c3ccccc3)C2)nc1 ZINC001172554013 1132265554 /nfs/dbraw/zinc/26/55/54/1132265554.db2.gz QYFCREWWTYTHFS-UKRRQHHQSA-N 0 1 287.794 3.556 20 0 CHADMN O=C(c1ccccc1O)c1ccccc1O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001231209676 1132271972 /nfs/dbraw/zinc/27/19/72/1132271972.db2.gz CTIOWLORPCALSF-BTTYYORXSA-N 0 1 294.350 3.801 20 0 CHADMN C[C@@H](CCc1c(F)cc(Cl)cc1F)N1CC=CC1 ZINC001172569135 1132272665 /nfs/dbraw/zinc/27/26/65/1132272665.db2.gz DUJFWXFFSAIINJ-JTQLQIEISA-N 0 1 271.738 3.811 20 0 CHADMN Cc1n[nH]cc1-c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC001212677807 1132292958 /nfs/dbraw/zinc/29/29/58/1132292958.db2.gz QZTUTDYBDANWEE-UHFFFAOYSA-N 0 1 295.129 3.742 20 0 CHADMN Fc1cccc2c1CN([C@@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172721812 1132295935 /nfs/dbraw/zinc/29/59/35/1132295935.db2.gz JLTBEFGSXSPQRT-OAHLLOKOSA-N 0 1 287.765 3.962 20 0 CHADMN CSC1CCN(Cc2ccc(F)c(C)c2F)CC1 ZINC001231477270 1132296568 /nfs/dbraw/zinc/29/65/68/1132296568.db2.gz HKFJPTCKNRODEL-UHFFFAOYSA-N 0 1 271.376 3.601 20 0 CHADMN CCN(c1ccc(NCc2cc(C)n(C)n2)cc1)C(C)C ZINC000840878071 1132300629 /nfs/dbraw/zinc/30/06/29/1132300629.db2.gz ALFHUURMCINKLU-UHFFFAOYSA-N 0 1 286.423 3.575 20 0 CHADMN Brc1cscc1CNc1nccn1C1CC1 ZINC000840886669 1132302088 /nfs/dbraw/zinc/30/20/88/1132302088.db2.gz LLSHTWUXRZBIHO-UHFFFAOYSA-N 0 1 298.209 3.654 20 0 CHADMN Cc1cc(CN(C)Cc2c(C)c(C)c(C)c(C)c2C)n(C)n1 ZINC001231493006 1132303406 /nfs/dbraw/zinc/30/34/06/1132303406.db2.gz JMBFYCOEODMGCF-UHFFFAOYSA-N 0 1 299.462 3.903 20 0 CHADMN Clc1ccc2c(c1)C[C@H](NCc1ncccc1Cl)C2 ZINC001172708922 1132307988 /nfs/dbraw/zinc/30/79/88/1132307988.db2.gz GXERSQMWHZAORD-CYBMUJFWSA-N 0 1 293.197 3.645 20 0 CHADMN CC(C)Oc1ccc(CN(C)Cc2ccc(F)cc2)cn1 ZINC001231532530 1132313356 /nfs/dbraw/zinc/31/33/56/1132313356.db2.gz WPPGOMLAPDPROI-UHFFFAOYSA-N 0 1 288.366 3.640 20 0 CHADMN CC(=O)c1cccc(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213074124 1132315373 /nfs/dbraw/zinc/31/53/73/1132315373.db2.gz FGLIEXPXZFOGGW-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN CC[C@H]1COCCN1Cc1ccc(-c2ccc(C)o2)cc1 ZINC001231597221 1132320951 /nfs/dbraw/zinc/32/09/51/1132320951.db2.gz IFBMTFXPSXZODD-KRWDZBQOSA-N 0 1 285.387 3.866 20 0 CHADMN CCCC1CCN(Cc2ccc(F)cc2OC)CC1 ZINC001231603575 1132325345 /nfs/dbraw/zinc/32/53/45/1132325345.db2.gz LRBASRDQVYRJFS-UHFFFAOYSA-N 0 1 265.372 3.846 20 0 CHADMN Cc1ccc(C[N@@H+](C)CCc2ccccc2)c(Cl)n1 ZINC001142122321 1132329476 /nfs/dbraw/zinc/32/94/76/1132329476.db2.gz WUOAZXNVKHURIB-UHFFFAOYSA-N 0 1 274.795 3.718 20 0 CHADMN Cc1ccc(CN(C)CCc2ccccc2)c(Cl)n1 ZINC001142122321 1132329485 /nfs/dbraw/zinc/32/94/85/1132329485.db2.gz WUOAZXNVKHURIB-UHFFFAOYSA-N 0 1 274.795 3.718 20 0 CHADMN Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H](C)C2)c(Cl)n1 ZINC001142125136 1132329953 /nfs/dbraw/zinc/32/99/53/1132329953.db2.gz KNTPWEXUCURLNT-RYUDHWBXSA-N 0 1 266.816 3.911 20 0 CHADMN CCc1ccc(CN(CC)Cc2ccc(F)cc2)nc1 ZINC001231642103 1132331542 /nfs/dbraw/zinc/33/15/42/1132331542.db2.gz QDMNTBMUAMCECZ-UHFFFAOYSA-N 0 1 272.367 3.805 20 0 CHADMN Cc1ccc2c(c1)C[C@H](N1Cc3cnc(Cl)cc3C1)CC2 ZINC001172838914 1132332500 /nfs/dbraw/zinc/33/25/00/1132332500.db2.gz MRLQIBLOCCGHHP-QGZVFWFLSA-N 0 1 298.817 3.917 20 0 CHADMN Cc1ccc2c(c1)C[C@@H](N[C@H]1CCCC1(F)F)CC2 ZINC001172844662 1132335292 /nfs/dbraw/zinc/33/52/92/1132335292.db2.gz YAKCSZIOTOAXQD-GJZGRUSLSA-N 0 1 265.347 3.630 20 0 CHADMN CCOc1ccc(CN(CC)Cc2cccc(F)c2)cn1 ZINC001231656435 1132335981 /nfs/dbraw/zinc/33/59/81/1132335981.db2.gz LKVBRLKRQOECDK-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN Cc1cccc2cc(CN3C[C@@H]4C[C@@H]4C3)c(Cl)nc12 ZINC001231651955 1132336505 /nfs/dbraw/zinc/33/65/05/1132336505.db2.gz ZGCGELTYFZXXRT-BETUJISGSA-N 0 1 272.779 3.648 20 0 CHADMN CCOc1ccc(CN(Cc2ccccc2)C2CC2)cn1 ZINC001231656421 1132337656 /nfs/dbraw/zinc/33/76/56/1132337656.db2.gz LGWSBDRDMYAEDD-UHFFFAOYSA-N 0 1 282.387 3.645 20 0 CHADMN CCCO[C@@H]1CCN([C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172851641 1132340477 /nfs/dbraw/zinc/34/04/77/1132340477.db2.gz BJPOKIGRNQNZGP-CHWSQXEVSA-N 0 1 299.817 3.911 20 0 CHADMN CN(Cc1ccc(Cl)cc1)Cc1cc2cc[nH]c2cn1 ZINC001231669253 1132341568 /nfs/dbraw/zinc/34/15/68/1132341568.db2.gz SXHAUHOPUXZXDY-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN C[C@@H](Cc1c(F)cccc1Cl)N1CCC[C@]2(CCO2)C1 ZINC001172856050 1132341871 /nfs/dbraw/zinc/34/18/71/1132341871.db2.gz HJDUEXVHJXXSFP-LRDDRELGSA-N 0 1 297.801 3.665 20 0 CHADMN c1cc2cc(CN3CCSc4ccccc4C3)ncc2[nH]1 ZINC001231672553 1132343544 /nfs/dbraw/zinc/34/35/44/1132343544.db2.gz HWUPOANRRGTHGT-UHFFFAOYSA-N 0 1 295.411 3.671 20 0 CHADMN COc1cc(Cl)c(CN2CCC[C@@H](C)[C@H]2C)c(OC)c1 ZINC001231697194 1132346762 /nfs/dbraw/zinc/34/67/62/1132346762.db2.gz QBWOQMMRICTYJI-VXGBXAGGSA-N 0 1 297.826 3.978 20 0 CHADMN CCCCN(CC)Cc1c(Cl)cc(OC)cc1OC ZINC001231694675 1132346856 /nfs/dbraw/zinc/34/68/56/1132346856.db2.gz UUYSFZBYCKIVPX-UHFFFAOYSA-N 0 1 285.815 3.979 20 0 CHADMN COc1cc(Cl)c(CN(C)C2CCCC2)c(OC)c1 ZINC001231696193 1132346880 /nfs/dbraw/zinc/34/68/80/1132346880.db2.gz FLGGVGTXUNSQQZ-UHFFFAOYSA-N 0 1 283.799 3.732 20 0 CHADMN COc1cc(Cl)c(CN2CCC[C@H](C)[C@@H]2C)c(OC)c1 ZINC001231697193 1132347141 /nfs/dbraw/zinc/34/71/41/1132347141.db2.gz QBWOQMMRICTYJI-RYUDHWBXSA-N 0 1 297.826 3.978 20 0 CHADMN COc1cc(Cl)c(CN2CCC3(CCC3)C2)c(OC)c1 ZINC001231699591 1132347685 /nfs/dbraw/zinc/34/76/85/1132347685.db2.gz PPMSLECLNHLWOQ-UHFFFAOYSA-N 0 1 295.810 3.733 20 0 CHADMN C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(Cl)c(O)c1 ZINC001231734363 1132350014 /nfs/dbraw/zinc/35/00/14/1132350014.db2.gz WEZHJJNKRHLKFH-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN C[N@H+](CCc1ccc(F)cc1)Cc1ccc(Cl)c([O-])c1 ZINC001231734363 1132350023 /nfs/dbraw/zinc/35/00/23/1132350023.db2.gz WEZHJJNKRHLKFH-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(Cl)c([O-])c1 ZINC001231734363 1132350031 /nfs/dbraw/zinc/35/00/31/1132350031.db2.gz WEZHJJNKRHLKFH-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN CC(C)(C)c1nc[nH]c1CN1CCC[C@H]2CCCC[C@@H]21 ZINC001142230080 1132350222 /nfs/dbraw/zinc/35/02/22/1132350222.db2.gz DLOMSHRBXXUOMV-HIFRSBDPSA-N 0 1 275.440 3.862 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1[nH]cnc1C(C)(C)C ZINC001142235216 1132351785 /nfs/dbraw/zinc/35/17/85/1132351785.db2.gz RENMTIHROPSCOA-ZDUSSCGKSA-N 0 1 283.419 3.654 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(O)c1 ZINC001231734618 1132352025 /nfs/dbraw/zinc/35/20/25/1132352025.db2.gz CIDQEOZRFCMGEL-ZDUSSCGKSA-N 0 1 253.773 3.666 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c([O-])c1 ZINC001231734618 1132352034 /nfs/dbraw/zinc/35/20/34/1132352034.db2.gz CIDQEOZRFCMGEL-ZDUSSCGKSA-N 0 1 253.773 3.666 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c([O-])c1 ZINC001231734618 1132352041 /nfs/dbraw/zinc/35/20/41/1132352041.db2.gz CIDQEOZRFCMGEL-ZDUSSCGKSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1CCCC[N@@H+](Cc2ccc(Cl)c([O-])c2)C1 ZINC001231733603 1132352137 /nfs/dbraw/zinc/35/21/37/1132352137.db2.gz ZXMXXBBHZLHYOF-LLVKDONJSA-N 0 1 253.773 3.668 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([O-])c2)C[C@H]1C ZINC001231733280 1132352242 /nfs/dbraw/zinc/35/22/42/1132352242.db2.gz QFHVMCYAQWXOQF-VXGBXAGGSA-N 0 1 267.800 3.914 20 0 CHADMN CCCC1CCN(Cc2cccnc2OC(C)C)CC1 ZINC001231759268 1132355028 /nfs/dbraw/zinc/35/50/28/1132355028.db2.gz XWALYKFPIHBPAF-UHFFFAOYSA-N 0 1 276.424 3.881 20 0 CHADMN CC(C)Sc1nc2sccn2c1C[N@H+]1CC[C@H](C)C1 ZINC001231775467 1132356268 /nfs/dbraw/zinc/35/62/68/1132356268.db2.gz MERQRVZUXCYDDN-NSHDSACASA-N 0 1 295.477 3.738 20 0 CHADMN CC(C)Sc1nc2sccn2c1CN1CC[C@H](C)C1 ZINC001231775467 1132356277 /nfs/dbraw/zinc/35/62/77/1132356277.db2.gz MERQRVZUXCYDDN-NSHDSACASA-N 0 1 295.477 3.738 20 0 CHADMN C[C@H](CSc1ccc(Cl)cc1)N1C[C@@H](C)OC[C@@H]1C ZINC001172885845 1132357880 /nfs/dbraw/zinc/35/78/80/1132357880.db2.gz WHLGOWQELJTMDV-YNEHKIRRSA-N 0 1 299.867 3.930 20 0 CHADMN CC[C@H]1COCCN1[C@H](C)CSc1ccc(Cl)cc1 ZINC001172882545 1132358977 /nfs/dbraw/zinc/35/89/77/1132358977.db2.gz QQKYSUIOVDDTJE-OCCSQVGLSA-N 0 1 299.867 3.931 20 0 CHADMN C[N@@H+](Cc1cccs1)Cc1ccc2c(c1)OCCCO2 ZINC001142266790 1132359439 /nfs/dbraw/zinc/35/94/39/1132359439.db2.gz KLCRWVKZTNUKIM-UHFFFAOYSA-N 0 1 289.400 3.541 20 0 CHADMN CN(Cc1cccs1)Cc1ccc2c(c1)OCCCO2 ZINC001142266790 1132359447 /nfs/dbraw/zinc/35/94/47/1132359447.db2.gz KLCRWVKZTNUKIM-UHFFFAOYSA-N 0 1 289.400 3.541 20 0 CHADMN Cc1nc2cc(Nc3cc(Cl)cnc3C)ccc2[nH]1 ZINC001213071522 1132360359 /nfs/dbraw/zinc/36/03/59/1132360359.db2.gz WBLNXBNYNPAWQK-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1ccc(OC(C)(C)C)cc1 ZINC001231804919 1132365271 /nfs/dbraw/zinc/36/52/71/1132365271.db2.gz CKHKSOKSAXMOCZ-OCCSQVGLSA-N 0 1 265.372 3.796 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1ccc(OC(C)(C)C)cc1 ZINC001231803610 1132366364 /nfs/dbraw/zinc/36/63/64/1132366364.db2.gz CKHKSOKSAXMOCZ-TZMCWYRMSA-N 0 1 265.372 3.796 20 0 CHADMN CCCOC1CCC(N[C@@H]2CCCCC2(F)F)CC1 ZINC001173090617 1132384101 /nfs/dbraw/zinc/38/41/01/1132384101.db2.gz ZWLQQDQYUQIMRQ-JXQTWKCFSA-N 0 1 275.383 3.892 20 0 CHADMN CCC1CCN(Cc2ccnc(C(F)F)c2)CC1 ZINC001231886468 1132393222 /nfs/dbraw/zinc/39/32/22/1132393222.db2.gz BMWHGJYEWYUQNX-UHFFFAOYSA-N 0 1 254.324 3.641 20 0 CHADMN C[C@@H]1CCN(Cc2ccnc(C(F)F)c2)CCC1(F)F ZINC001231887439 1132395053 /nfs/dbraw/zinc/39/50/53/1132395053.db2.gz RPODTZXNJPYNOP-SNVBAGLBSA-N 0 1 290.304 3.886 20 0 CHADMN Cn1cnc2c1CN(C1CCC3(CCCCC3)CC1)CC2 ZINC001173120650 1132399489 /nfs/dbraw/zinc/39/94/89/1132399489.db2.gz ICPHHCRZMAEGBQ-UHFFFAOYSA-N 0 1 287.451 3.671 20 0 CHADMN CCCCN(CC)Cc1cc(Br)ncc1F ZINC001231913499 1132400054 /nfs/dbraw/zinc/40/00/54/1132400054.db2.gz KQEVNBLUGCOFNY-UHFFFAOYSA-N 0 1 289.192 3.605 20 0 CHADMN C[C@H]1CC(=O)CCN1C1CCC2(CCCCC2)CC1 ZINC001173118628 1132400067 /nfs/dbraw/zinc/40/00/67/1132400067.db2.gz ZMVPTQCOUUXCSD-AWEZNQCLSA-N 0 1 263.425 3.933 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1cc(OC)ccn1 ZINC001231968210 1132403312 /nfs/dbraw/zinc/40/33/12/1132403312.db2.gz LYSBEEURWYXPGV-QGZVFWFLSA-N 0 1 270.376 3.673 20 0 CHADMN Cc1nc2cc(Nc3ccc(C)cc3N)ccc2[nH]1 ZINC000258862908 1132406281 /nfs/dbraw/zinc/40/62/81/1132406281.db2.gz TUBDFEHPVPXOLE-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN Cc1nc2c[nH]cc(-c3ccc(F)c(OC(C)C)c3)c-2n1 ZINC001206191917 1132406504 /nfs/dbraw/zinc/40/65/04/1132406504.db2.gz XRZWDZBEJOBDAP-UHFFFAOYSA-N 0 1 285.322 3.860 20 0 CHADMN Cc1nc2c(cncc2-c2ccc(F)c(OC(C)C)c2)[nH]1 ZINC001206191917 1132406508 /nfs/dbraw/zinc/40/65/08/1132406508.db2.gz XRZWDZBEJOBDAP-UHFFFAOYSA-N 0 1 285.322 3.860 20 0 CHADMN CN(Cc1cc(Cl)cnc1F)C1CCCCC1 ZINC001231992033 1132407341 /nfs/dbraw/zinc/40/73/41/1132407341.db2.gz KGHZRFAVARMYRV-UHFFFAOYSA-N 0 1 256.752 3.639 20 0 CHADMN CCOC(=O)c1ccc(CN2CCCC[C@@](C)(F)C2)cc1 ZINC001142583574 1132410895 /nfs/dbraw/zinc/41/08/95/1132410895.db2.gz PEHMJNQJASMGIV-QGZVFWFLSA-N 0 1 293.382 3.577 20 0 CHADMN Cc1cc(Br)cnc1CN1CCCCCC1 ZINC001232045041 1132414369 /nfs/dbraw/zinc/41/43/69/1132414369.db2.gz OFVRCYPTCBZQBL-UHFFFAOYSA-N 0 1 283.213 3.529 20 0 CHADMN CC(C)[N@@H+](Cc1cncc(O)c1)[C@@H](C)c1ccccc1 ZINC001232044966 1132414818 /nfs/dbraw/zinc/41/48/18/1132414818.db2.gz ZSCFUWWPJLLDCW-AWEZNQCLSA-N 0 1 270.376 3.759 20 0 CHADMN CC(C)N(Cc1c(Cl)n(C)nc1C(F)F)CC1CC1 ZINC001232053278 1132415165 /nfs/dbraw/zinc/41/51/65/1132415165.db2.gz BZQHRPTWTAOXGZ-UHFFFAOYSA-N 0 1 291.773 3.632 20 0 CHADMN c1c(CN2CCC[C@H]3CCCC[C@H]32)[nH]c2cccnc12 ZINC001232065191 1132416635 /nfs/dbraw/zinc/41/66/35/1132416635.db2.gz MZLZTFVCJGFGFF-CXAGYDPISA-N 0 1 269.392 3.718 20 0 CHADMN CN(Cc1cc2ncccc2[nH]1)Cc1cccc(Cl)c1 ZINC001232066791 1132417755 /nfs/dbraw/zinc/41/77/55/1132417755.db2.gz CLNGSTLATYGVKI-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142660111 1132419568 /nfs/dbraw/zinc/41/95/68/1132419568.db2.gz FOHGSGBNVJNXCN-ZDUSSCGKSA-N 0 1 281.783 3.803 20 0 CHADMN CCCC[C@@H](CC(C)C)NC1(C(=O)OC)CCCC1 ZINC001173249951 1132420112 /nfs/dbraw/zinc/42/01/12/1132420112.db2.gz MHXJOGJWGCFCEG-AWEZNQCLSA-N 0 1 269.429 3.667 20 0 CHADMN CCCC[C@@H](CC(C)C)NC1(c2ncccn2)CC1 ZINC001173257507 1132424965 /nfs/dbraw/zinc/42/49/65/1132424965.db2.gz VFABBSCNNKUUEU-AWEZNQCLSA-N 0 1 261.413 3.660 20 0 CHADMN CCCC[C@@H](CC(C)C)N1C[C@H](CO)CC(F)(F)C1 ZINC001173258343 1132425969 /nfs/dbraw/zinc/42/59/69/1132425969.db2.gz RUXRPAHQWFNCAH-KGLIPLIRSA-N 0 1 277.399 3.541 20 0 CHADMN Cc1scnc1CN1CC[C@H](c2ccccc2F)C1 ZINC001232203834 1132433995 /nfs/dbraw/zinc/43/39/95/1132433995.db2.gz KBNVOVHUQFMXOM-LBPRGKRZSA-N 0 1 276.380 3.580 20 0 CHADMN Cc1scnc1CN1CCC2(CC[C@@H](F)C2)CC1 ZINC001232211638 1132436761 /nfs/dbraw/zinc/43/67/61/1132436761.db2.gz ILTIPCLRAWNMRK-GFCCVEGCSA-N 0 1 268.401 3.556 20 0 CHADMN CN(Cc1ccnc(C(C)(C)C)c1)C1CC(F)(F)C1 ZINC001232214058 1132437400 /nfs/dbraw/zinc/43/74/00/1132437400.db2.gz KVCBAQKZNSHFRS-UHFFFAOYSA-N 0 1 268.351 3.609 20 0 CHADMN C[C@H]1CN(Cc2ccnc(C(C)(C)C)c2)CCC1(F)F ZINC001232214492 1132437648 /nfs/dbraw/zinc/43/76/48/1132437648.db2.gz RNYGNQPKOKHPNU-LBPRGKRZSA-N 0 1 282.378 3.856 20 0 CHADMN CC(C)(C)c1cc(CN2CC[C@H](C(F)(F)F)C2)ccn1 ZINC001232218114 1132439378 /nfs/dbraw/zinc/43/93/78/1132439378.db2.gz VIUZOOTUBHPMJU-LBPRGKRZSA-N 0 1 286.341 3.763 20 0 CHADMN C[C@H]1CN(Cc2cnsc2)CCc2ccc(Cl)cc21 ZINC001232229840 1132440566 /nfs/dbraw/zinc/44/05/66/1132440566.db2.gz WTRQZNXEALITAT-NSHDSACASA-N 0 1 292.835 3.958 20 0 CHADMN CC[C@@H](C)c1ccc(-c2nc(C3(N)CCCC3)no2)cc1 ZINC000842590178 1132444505 /nfs/dbraw/zinc/44/45/05/1132444505.db2.gz MJIFDJRZFWEAKH-GFCCVEGCSA-N 0 1 285.391 3.978 20 0 CHADMN CCCCCCO[C@@H](C)c1nc([C@H](N)CC(C)C)no1 ZINC000842585891 1132444596 /nfs/dbraw/zinc/44/45/96/1132444596.db2.gz GVGPVXVSYPNLPC-QWHCGFSZSA-N 0 1 283.416 3.773 20 0 CHADMN Clc1cc(CN2CC[C@@H](COCC3CC3)C2)cs1 ZINC001142776125 1132446449 /nfs/dbraw/zinc/44/64/49/1132446449.db2.gz UVLTVTNQZOOILG-GFCCVEGCSA-N 0 1 285.840 3.650 20 0 CHADMN CCSC[C@H](C)N1CCO[C@](C)(c2ccc(C)cc2)C1 ZINC001173312640 1132450548 /nfs/dbraw/zinc/45/05/48/1132450548.db2.gz VBBKKQSEJFEEPB-RDJZCZTQSA-N 0 1 293.476 3.684 20 0 CHADMN Cc1cc(C)cc([C@H](N[C@H]2CO[C@H](C)C2)c2cccnc2)c1 ZINC000842677794 1132450607 /nfs/dbraw/zinc/45/06/07/1132450607.db2.gz XDWKKFFPAOKHJB-ATZDWAIDSA-N 0 1 296.414 3.555 20 0 CHADMN CC[C@@H]1CCCN(Cc2cnc(Br)cc2C)C1 ZINC001232317236 1132451888 /nfs/dbraw/zinc/45/18/88/1132451888.db2.gz MMUIOWXZGUASNS-GFCCVEGCSA-N 0 1 297.240 3.775 20 0 CHADMN CCOc1ncc(CN(CC)Cc2cccs2)cc1C ZINC001232306952 1132452246 /nfs/dbraw/zinc/45/22/46/1132452246.db2.gz MTURKKOFBSIXEM-UHFFFAOYSA-N 0 1 290.432 3.872 20 0 CHADMN CCOc1ccc(CN2Cc3ccccc3C[C@@H]2C)c(C)n1 ZINC001232310949 1132453132 /nfs/dbraw/zinc/45/31/32/1132453132.db2.gz QEUPMYSYXIGAHW-AWEZNQCLSA-N 0 1 296.414 3.736 20 0 CHADMN Cc1cc(Br)ncc1CN1CCC[C@H]1C(C)C ZINC001232318360 1132454773 /nfs/dbraw/zinc/45/47/73/1132454773.db2.gz ITBMTJZADAQVLJ-ZDUSSCGKSA-N 0 1 297.240 3.773 20 0 CHADMN COc1cc(C)c(CN2Cc3ccccc3[C@H](C)C2)cn1 ZINC001232348481 1132458297 /nfs/dbraw/zinc/45/82/97/1132458297.db2.gz JKDXUTHPXRLQBK-CQSZACIVSA-N 0 1 282.387 3.518 20 0 CHADMN CSc1cc(C)c(CN2CCCC(F)(F)CC2)cn1 ZINC001232342849 1132458723 /nfs/dbraw/zinc/45/87/23/1132458723.db2.gz TVGMESXVBVDDBU-UHFFFAOYSA-N 0 1 286.391 3.733 20 0 CHADMN CCSC[C@H](C)NCc1c(Cl)cncc1Cl ZINC001173290955 1132459103 /nfs/dbraw/zinc/45/91/03/1132459103.db2.gz KNKCPUIFGJYOQE-QMMMGPOBSA-N 0 1 279.236 3.620 20 0 CHADMN COc1cc(C)c(CN(Cc2ccccc2)C2CC2)cn1 ZINC001232353949 1132459476 /nfs/dbraw/zinc/45/94/76/1132459476.db2.gz ZEEOTVWEDHTSSG-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN COc1cc(C)c(CN(C)C/C=C/c2ccccc2)cn1 ZINC001232353368 1132460077 /nfs/dbraw/zinc/46/00/77/1132460077.db2.gz NBKUJZPNKQVFLS-JXMROGBWSA-N 0 1 282.387 3.544 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(OC)c(Cl)cc2OC)C1 ZINC001232374736 1132462064 /nfs/dbraw/zinc/46/20/64/1132462064.db2.gz ZMUPDRZXEYIRGV-GFCCVEGCSA-N 0 1 297.826 3.979 20 0 CHADMN Cc1cccc(CN2CC(c3cccnc3)C2)c1OC(C)C ZINC001232394405 1132463968 /nfs/dbraw/zinc/46/39/68/1132463968.db2.gz FUSHHNNCLVNNGE-UHFFFAOYSA-N 0 1 296.414 3.777 20 0 CHADMN COc1ccc(OC(C)C)c(C[N@H+]2C[C@@H](C)CC23CC3)c1 ZINC001232389074 1132464238 /nfs/dbraw/zinc/46/42/38/1132464238.db2.gz NEEXIERGDDSMHQ-AWEZNQCLSA-N 0 1 289.419 3.857 20 0 CHADMN COc1ccc(OC(C)C)c(CN2CC[C@](C)(CF)C2)c1 ZINC001232388131 1132464349 /nfs/dbraw/zinc/46/43/49/1132464349.db2.gz ZZJMUPYHYNVUKS-QGZVFWFLSA-N 0 1 295.398 3.664 20 0 CHADMN Cc1cc(C)nc(Nc2ccc3c(c2)CCCN3)c1 ZINC000721837026 1132464455 /nfs/dbraw/zinc/46/44/55/1132464455.db2.gz DCBOAHCHFPKURC-UHFFFAOYSA-N 0 1 253.349 3.800 20 0 CHADMN Fc1ccc2nc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)cn2c1 ZINC001232417505 1132467671 /nfs/dbraw/zinc/46/76/71/1132467671.db2.gz SMFJFQRVSXFJMB-XJKSGUPXSA-N 0 1 287.382 3.628 20 0 CHADMN Fc1ccc2nc(CN3CCC[C@@H]4CCCC[C@H]43)cn2c1 ZINC001232417505 1132467673 /nfs/dbraw/zinc/46/76/73/1132467673.db2.gz SMFJFQRVSXFJMB-XJKSGUPXSA-N 0 1 287.382 3.628 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(C(F)(F)F)o2)[C@@H](C)C1 ZINC001232443699 1132469291 /nfs/dbraw/zinc/46/92/91/1132469291.db2.gz BSUHLOHVBPBBPU-ZJUUUORDSA-N 0 1 261.287 3.919 20 0 CHADMN Cc1c(F)cc(CN2CC3CCC2CC3)cc1F ZINC001232425257 1132469528 /nfs/dbraw/zinc/46/95/28/1132469528.db2.gz YVWPMIJVLGZWJX-UHFFFAOYSA-N 0 1 251.320 3.648 20 0 CHADMN c1ccc([C@H]2CCCCN2Cc2[nH]nc3c2CCC3)cc1 ZINC001232428604 1132469920 /nfs/dbraw/zinc/46/99/20/1132469920.db2.gz OJCSWEINUSXTCU-GOSISDBHSA-N 0 1 281.403 3.626 20 0 CHADMN Cc1c(F)cc(CN2CC[C@H](c3ccccn3)C2)cc1F ZINC001232423768 1132470007 /nfs/dbraw/zinc/47/00/07/1132470007.db2.gz WBFNHSDEYLDGNP-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN c1c(CN2CCCCC23CC3)onc1OCc1ccccc1 ZINC001232452835 1132472225 /nfs/dbraw/zinc/47/22/25/1132472225.db2.gz NZUIXMLZKRNHLH-UHFFFAOYSA-N 0 1 298.386 3.772 20 0 CHADMN F[C@@H]1CN([C@@H]2CCCC3(CCCCC3)C2)C[C@H]1F ZINC001173345932 1132472312 /nfs/dbraw/zinc/47/23/12/1132472312.db2.gz IDWMFLKVZFKIPM-MGPQQGTHSA-N 0 1 257.368 3.871 20 0 CHADMN C[C@H](Nc1cc2c(cn1)CCCC2)c1cc2n(n1)CCCC2 ZINC000842874643 1132473162 /nfs/dbraw/zinc/47/31/62/1132473162.db2.gz FFLCESFVHUMRKA-ZDUSSCGKSA-N 0 1 296.418 3.666 20 0 CHADMN CCC[N@@H+](CC)Cc1ccc(Cl)c([O-])c1Cl ZINC001232624649 1132497415 /nfs/dbraw/zinc/49/74/15/1132497415.db2.gz RERARVBYMZLPLX-UHFFFAOYSA-N 0 1 262.180 3.931 20 0 CHADMN C(N[C@H]1CCCC2(CCCCC2)C1)c1nc(C2CC2)no1 ZINC001173350394 1132474313 /nfs/dbraw/zinc/47/43/13/1132474313.db2.gz WMSLHUSOCPBWQH-AWEZNQCLSA-N 0 1 289.423 3.930 20 0 CHADMN Cc1cccc(F)c1CN1CCN(C)C[C@H]1c1ccccc1 ZINC001232482443 1132477093 /nfs/dbraw/zinc/47/70/93/1132477093.db2.gz SJYAXNKPOZEYJK-IBGZPJMESA-N 0 1 298.405 3.623 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cc(F)ccc1N ZINC001232512277 1132481386 /nfs/dbraw/zinc/48/13/86/1132481386.db2.gz ZXZLTUQGUQROFV-UHFFFAOYSA-N 0 1 276.330 3.569 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1cc(F)ccc1N ZINC001232508171 1132482218 /nfs/dbraw/zinc/48/22/18/1132482218.db2.gz XNRAOTXKRUFWAQ-LBPRGKRZSA-N 0 1 270.351 3.527 20 0 CHADMN CCCOC1CCN(Cc2ccc(Cl)cc2OC)CC1 ZINC001232499405 1132482437 /nfs/dbraw/zinc/48/24/37/1132482437.db2.gz NFFFUZOWTSMGLM-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1cccc(Br)c1N ZINC001232524577 1132483818 /nfs/dbraw/zinc/48/38/18/1132483818.db2.gz YPMSQZMPNPRCMX-GHMZBOCLSA-N 0 1 297.240 3.794 20 0 CHADMN Fc1cc2c(cc1F)CC([N@H+]1CCCC(F)(F)CC1)C2 ZINC001173481242 1132486470 /nfs/dbraw/zinc/48/64/70/1132486470.db2.gz ROMINKVZDFCOSE-UHFFFAOYSA-N 0 1 287.300 3.553 20 0 CHADMN CCOC(=O)c1ccc(CN2CCC[C@H](C)C2)c(Cl)c1 ZINC001232592891 1132491653 /nfs/dbraw/zinc/49/16/53/1132491653.db2.gz YUYLMUDDQBPASF-LBPRGKRZSA-N 0 1 295.810 3.749 20 0 CHADMN CC[C@H](Oc1cccc(C)c1)c1nc([C@@H](N)C(C)C)no1 ZINC000843154766 1132497890 /nfs/dbraw/zinc/49/78/90/1132497890.db2.gz ZVSCQLULBUKLOU-KBPBESRZSA-N 0 1 289.379 3.564 20 0 CHADMN Cc1cc(C)c(/C=C\c2nc([C@H](N)C(C)C)no2)cc1C ZINC000843147897 1132498190 /nfs/dbraw/zinc/49/81/90/1132498190.db2.gz ISYPECGBRSZDJV-MWWKQMNYSA-N 0 1 285.391 3.821 20 0 CHADMN Cc1ccccc1C1(c2nc([C@@H](N)C(C)C)no2)CCC1 ZINC000843150942 1132498781 /nfs/dbraw/zinc/49/87/81/1132498781.db2.gz CMNBAXQXRNJHBH-AWEZNQCLSA-N 0 1 285.391 3.504 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Br)co2)C[C@@H]1C ZINC001232851175 1132530784 /nfs/dbraw/zinc/53/07/84/1132530784.db2.gz ABWPIYYOQAMYAR-MNOVXSKESA-N 0 1 286.213 3.910 20 0 CHADMN CC1(C)[C@@H]2C[N@H+](Cc3ccc(Cl)c([O-])c3Cl)C[C@@H]21 ZINC001232628957 1132498961 /nfs/dbraw/zinc/49/89/61/1132498961.db2.gz ZHVWTSCZRFASNC-AOOOYVTPSA-N 0 1 286.202 3.787 20 0 CHADMN COc1cccc(C)c1CN1CCC[C@H](C(F)(F)F)C1 ZINC001232626861 1132499234 /nfs/dbraw/zinc/49/92/34/1132499234.db2.gz HSUVCXQWHLGNBG-LBPRGKRZSA-N 0 1 287.325 3.778 20 0 CHADMN C[C@@H]1c2cccn2CCN1Cc1cccc2c1CCCC2 ZINC001232638998 1132499693 /nfs/dbraw/zinc/49/96/93/1132499693.db2.gz QOHIAHPOYFLICA-OAHLLOKOSA-N 0 1 280.415 3.944 20 0 CHADMN CNc1ccccc1CN(C)[C@@H](C)c1ccccc1OC ZINC001232673046 1132506263 /nfs/dbraw/zinc/50/62/63/1132506263.db2.gz QJNWPWXLAKVWGM-AWEZNQCLSA-N 0 1 284.403 3.930 20 0 CHADMN CC(C)[C@@H]1C[C@H]1NCc1ncc(C(C)(C)C)s1 ZINC001204129489 1132508832 /nfs/dbraw/zinc/50/88/32/1132508832.db2.gz UKVKZCHEFDCSLW-WDEREUQCSA-N 0 1 252.427 3.575 20 0 CHADMN C[C@]1(F)CCCN(Cc2cccc3ncsc32)C1 ZINC001232730683 1132509259 /nfs/dbraw/zinc/50/92/59/1132509259.db2.gz PLIPUYWPLPVPMD-AWEZNQCLSA-N 0 1 264.369 3.620 20 0 CHADMN Clc1ccc2cc(C[N@H+]3CCC[C@@]34CCOC4)[nH]c2c1 ZINC001232735515 1132512570 /nfs/dbraw/zinc/51/25/70/1132512570.db2.gz XDXSAXQTQUOMTB-INIZCTEOSA-N 0 1 290.794 3.576 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3ccccc3c2)c(N)n1 ZINC001143207824 1132519821 /nfs/dbraw/zinc/51/98/21/1132519821.db2.gz HULSUVWILMFJQV-UHFFFAOYSA-N 0 1 291.398 3.757 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1cc2cccnc2[nH]1 ZINC001143221987 1132520508 /nfs/dbraw/zinc/52/05/08/1132520508.db2.gz UAHXWPNKKNGVAY-ZDUSSCGKSA-N 0 1 295.386 3.765 20 0 CHADMN CN(CCc1cccc(F)c1)Cc1cccc(O)c1Cl ZINC001232789943 1132521382 /nfs/dbraw/zinc/52/13/82/1132521382.db2.gz YKQRIADQZZTCKQ-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN CCCn1cnc(CN2CCC[C@H]2c2ccccc2)c1 ZINC001232798414 1132522785 /nfs/dbraw/zinc/52/27/85/1132522785.db2.gz FWSXRPLYRKTWLX-KRWDZBQOSA-N 0 1 269.392 3.630 20 0 CHADMN Oc1ccc2c(c1)CCN(Cc1ccc(C(F)F)cc1)C2 ZINC001143244571 1132524276 /nfs/dbraw/zinc/52/42/76/1132524276.db2.gz WSGYGGSGXPGAJS-UHFFFAOYSA-N 0 1 289.325 3.888 20 0 CHADMN COc1cc(CN(C)Cc2ccc(C)cc2)c(OC)cc1C ZINC001232832377 1132528947 /nfs/dbraw/zinc/52/89/47/1132528947.db2.gz IOPXFOYWZNPDMG-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN CC[C@H]1CCC[C@@H](CN2CCc3cc(Cl)nnc3C2)C1 ZINC000843417868 1132530579 /nfs/dbraw/zinc/53/05/79/1132530579.db2.gz DNOUTMUDOZWFDK-QWHCGFSZSA-N 0 1 293.842 3.705 20 0 CHADMN Cc1cccc2c1CN(Cc1c[nH]c3ccc(O)cc13)C2 ZINC001232864779 1132531504 /nfs/dbraw/zinc/53/15/04/1132531504.db2.gz MPTPRBOZERVFKR-UHFFFAOYSA-N 0 1 278.355 3.698 20 0 CHADMN Brc1coc(CN2C[C@@H]3CCCC[C@H]3C2)c1 ZINC001232851751 1132531614 /nfs/dbraw/zinc/53/16/14/1132531614.db2.gz IAEDGAUYGRIQKQ-QWRGUYRKSA-N 0 1 284.197 3.664 20 0 CHADMN Cc1cc(O)cc(CN2CCSC[C@@H]2c2ccccc2)c1 ZINC001232882763 1132535165 /nfs/dbraw/zinc/53/51/65/1132535165.db2.gz BIHJMYIUJWRXPZ-GOSISDBHSA-N 0 1 299.439 3.991 20 0 CHADMN COCC[C@@H]1CCCC[N@H+]1Cc1ccsc1Cl ZINC001233057620 1132569701 /nfs/dbraw/zinc/56/97/01/1132569701.db2.gz RGQOBKXJMSEZBM-LBPRGKRZSA-N 0 1 273.829 3.793 20 0 CHADMN COCC[C@@H]1CCCCN1Cc1ccsc1Cl ZINC001233057620 1132569704 /nfs/dbraw/zinc/56/97/04/1132569704.db2.gz RGQOBKXJMSEZBM-LBPRGKRZSA-N 0 1 273.829 3.793 20 0 CHADMN Cc1cccc2nc(NC(=O)c3ccc4cc[nH]c4c3)[nH]c21 ZINC001149205534 1132540402 /nfs/dbraw/zinc/54/04/02/1132540402.db2.gz DLUNLTIEERSRKT-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)c2[nH]nc3ncccc32)cc1 ZINC001149393198 1132543157 /nfs/dbraw/zinc/54/31/57/1132543157.db2.gz IIDPGYYXTUCHOO-NSHDSACASA-N 0 1 294.358 3.724 20 0 CHADMN [O-]c1c(F)ccc(C[N@H+]2CCC3(C2)CCCCC3)c1F ZINC001232939951 1132543755 /nfs/dbraw/zinc/54/37/55/1132543755.db2.gz VSXKRWYHJAVWRL-UHFFFAOYSA-N 0 1 281.346 3.827 20 0 CHADMN [O-]c1c(F)ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c1F ZINC001232935578 1132544367 /nfs/dbraw/zinc/54/43/67/1132544367.db2.gz UHIHTUVNMYBZGA-RISCZKNCSA-N 0 1 281.346 3.825 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2ccc3ncoc3c2)cn1 ZINC001232943583 1132547892 /nfs/dbraw/zinc/54/78/92/1132547892.db2.gz FJUZIMRDGVAJMN-QGZVFWFLSA-N 0 1 293.370 3.868 20 0 CHADMN CCOc1ccc(N)cc1Nc1ccc(Cl)c(O)c1F ZINC001214801836 1132553162 /nfs/dbraw/zinc/55/31/62/1132553162.db2.gz RAGLCYHPWSGZRN-UHFFFAOYSA-N 0 1 296.729 3.909 20 0 CHADMN COc1cccc(N)c1Nc1ccc(Cl)c(O)c1F ZINC001214804135 1132553319 /nfs/dbraw/zinc/55/33/19/1132553319.db2.gz NYGLSFJMDHAWPE-UHFFFAOYSA-N 0 1 282.702 3.519 20 0 CHADMN C[N@@H+](C/C=C/c1ccccc1)Cc1cc([O-])c(F)c(F)c1 ZINC001232976061 1132555904 /nfs/dbraw/zinc/55/59/04/1132555904.db2.gz UZJIBHLBOJSWFN-VMPITWQZSA-N 0 1 289.325 3.816 20 0 CHADMN Cc1ncc(F)cc1CN1CC[C@H](c2ccccc2F)C1 ZINC001232990068 1132558282 /nfs/dbraw/zinc/55/82/82/1132558282.db2.gz MKPOQTBJRDSMAQ-ZDUSSCGKSA-N 0 1 288.341 3.658 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1cc(F)cnc1C ZINC001232992340 1132558635 /nfs/dbraw/zinc/55/86/35/1132558635.db2.gz IZXKKFQHDPFYCT-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1cc(F)cnc1C ZINC001232994348 1132559922 /nfs/dbraw/zinc/55/99/22/1132559922.db2.gz UGXOHXMFLIEQIZ-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN CCOC(=O)c1ccsc1CN1[C@@H](C)CCC[C@@H]1C ZINC001233017336 1132563203 /nfs/dbraw/zinc/56/32/03/1132563203.db2.gz GNODESGULRMZPG-RYUDHWBXSA-N 0 1 281.421 3.688 20 0 CHADMN CCOC(=O)c1ccsc1CN(C(C)C)C(C)C ZINC001233018569 1132563311 /nfs/dbraw/zinc/56/33/11/1132563311.db2.gz ZHNUWRMJBSDJMR-UHFFFAOYSA-N 0 1 269.410 3.544 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCC[C@H]2CCC[C@H]21 ZINC001233020578 1132565811 /nfs/dbraw/zinc/56/58/11/1132565811.db2.gz NLDMEADUTWFBEQ-TZMCWYRMSA-N 0 1 293.432 3.689 20 0 CHADMN CCCCC1CCN(Cc2cccc(O)c2F)CC1 ZINC001233051689 1132568149 /nfs/dbraw/zinc/56/81/49/1132568149.db2.gz SPLCAFKJADWKRP-UHFFFAOYSA-N 0 1 265.372 3.934 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(O)ccc1Br ZINC000131546459 1132568367 /nfs/dbraw/zinc/56/83/67/1132568367.db2.gz BOXCPNCOOWKNJP-GFCCVEGCSA-N 0 1 298.224 3.919 20 0 CHADMN Cc1ccc(CN(C)Cc2[nH]nc3cc(F)ccc32)cc1C ZINC001233129012 1132573903 /nfs/dbraw/zinc/57/39/03/1132573903.db2.gz SMQFFWUFVFBSBY-UHFFFAOYSA-N 0 1 297.377 3.951 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cnc(C)c(C)c2)cn1 ZINC001233160647 1132573924 /nfs/dbraw/zinc/57/39/24/1132573924.db2.gz DPQDLGUVUNOKBU-GOSISDBHSA-N 0 1 281.403 3.739 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CC[C@H]2CCC[C@@H]2C1 ZINC001233168522 1132575951 /nfs/dbraw/zinc/57/59/51/1132575951.db2.gz ZBGUJFKLWKQEFI-CHWSQXEVSA-N 0 1 294.826 3.756 20 0 CHADMN C[C@@H]1CCCN(Cc2csc(C(F)(F)F)c2)C1 ZINC001233174139 1132578050 /nfs/dbraw/zinc/57/80/50/1132578050.db2.gz DMSOTVFVAPBLMG-SECBINFHSA-N 0 1 263.328 3.999 20 0 CHADMN Cc1cccc(C)c1Nc1ccccc1N1CCN(C)CC1 ZINC001173874498 1132578768 /nfs/dbraw/zinc/57/87/68/1132578768.db2.gz SUZWEGBSLMCIRQ-UHFFFAOYSA-N 0 1 295.430 3.799 20 0 CHADMN Cc1cccc(-c2ccc(CN3CCO[C@H](C)C3)cc2)c1 ZINC001233223557 1132582073 /nfs/dbraw/zinc/58/20/73/1132582073.db2.gz NGLNCSBKKQBHPW-MRXNPFEDSA-N 0 1 281.399 3.883 20 0 CHADMN Cc1cccc(-c2ccc(CN3CCOC[C@@H]3C)cc2)c1 ZINC001233223629 1132582907 /nfs/dbraw/zinc/58/29/07/1132582907.db2.gz QDRYFZLQGIHSKC-INIZCTEOSA-N 0 1 281.399 3.883 20 0 CHADMN Fc1c(Cl)ccc(CN(CC2CC2)C2CC2)c1F ZINC001233212857 1132583300 /nfs/dbraw/zinc/58/33/00/1132583300.db2.gz GLMJOZCUNJFJIZ-UHFFFAOYSA-N 0 1 271.738 3.993 20 0 CHADMN Cc1cccc(Oc2cccc(NC(=O)[C@@H](C)N(C)C)c2)c1 ZINC001152474346 1132583723 /nfs/dbraw/zinc/58/37/23/1132583723.db2.gz ITCRGZZUONCSFY-CQSZACIVSA-N 0 1 298.386 3.676 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC001152804826 1132586153 /nfs/dbraw/zinc/58/61/53/1132586153.db2.gz GNNUWSKGBGJXNK-UXLLHSPISA-N 0 1 282.472 3.534 20 0 CHADMN Cc1ccc(CN2CCSC[C@H]2c2ccccc2)cc1O ZINC001233233745 1132587157 /nfs/dbraw/zinc/58/71/57/1132587157.db2.gz QBSKOOKVOQTQAS-KRWDZBQOSA-N 0 1 299.439 3.991 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2ccc([S-])cc2)cc1 ZINC001233260896 1132590334 /nfs/dbraw/zinc/59/03/34/1132590334.db2.gz UKGJMUPGMIAYHZ-UHFFFAOYSA-N 0 1 257.402 3.916 20 0 CHADMN CC1(C)C(C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)C1(C)C ZINC001153340705 1132592909 /nfs/dbraw/zinc/59/29/09/1132592909.db2.gz VPTVHGUMDMWSCK-UHFFFAOYSA-N 0 1 298.430 3.785 20 0 CHADMN CC1(C)C(C(=O)Nc2cccc3c2CN(C2CC2)C3)C1(C)C ZINC001153340705 1132592913 /nfs/dbraw/zinc/59/29/13/1132592913.db2.gz VPTVHGUMDMWSCK-UHFFFAOYSA-N 0 1 298.430 3.785 20 0 CHADMN Cc1cc(Nc2cccc(CO)c2Cl)c2ccccc2n1 ZINC001212759429 1132596867 /nfs/dbraw/zinc/59/68/67/1132596867.db2.gz MUMDHAQAQVRZFI-UHFFFAOYSA-N 0 1 298.773 3.854 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](c3ccccn3)C2)o1 ZINC001233316606 1132599830 /nfs/dbraw/zinc/59/98/30/1132599830.db2.gz RBVORVUTWKYCFR-GFCCVEGCSA-N 0 1 276.767 3.708 20 0 CHADMN CC(=O)c1cccc(Nc2cc(C)nn2-c2ccncc2)c1 ZINC001173902250 1132606353 /nfs/dbraw/zinc/60/63/53/1132606353.db2.gz DXLRFYXJDOLTGQ-UHFFFAOYSA-N 0 1 292.342 3.522 20 0 CHADMN c1cc2c(s1)CCN(Cc1cc3cccnc3s1)C2 ZINC001233346285 1132606715 /nfs/dbraw/zinc/60/67/15/1132606715.db2.gz YFAUYHYLGKCCNE-UHFFFAOYSA-N 0 1 286.425 3.916 20 0 CHADMN CSc1cccc(Cl)c1CN1CCC[C@H](C(C)=O)C1 ZINC001233352410 1132607594 /nfs/dbraw/zinc/60/75/94/1132607594.db2.gz CRWIDBMQFMZGLV-LBPRGKRZSA-N 0 1 297.851 3.863 20 0 CHADMN CO[C@H]1CCCN(Cc2c(Cl)cccc2SC)C1 ZINC001233350260 1132607722 /nfs/dbraw/zinc/60/77/22/1132607722.db2.gz AOMJXXYNPGSGAT-NSHDSACASA-N 0 1 285.840 3.673 20 0 CHADMN FC(F)(F)[C@@H]1CC[N@@H+](Cc2cc3cccnc3s2)C1 ZINC001233348772 1132608360 /nfs/dbraw/zinc/60/83/60/1132608360.db2.gz OROCSUCXWPNDIZ-SNVBAGLBSA-N 0 1 286.322 3.681 20 0 CHADMN FC(F)(F)[C@@H]1CCN(Cc2cc3cccnc3s2)C1 ZINC001233348772 1132608363 /nfs/dbraw/zinc/60/83/63/1132608363.db2.gz OROCSUCXWPNDIZ-SNVBAGLBSA-N 0 1 286.322 3.681 20 0 CHADMN Oc1ccc(F)c(CN2CCCCCCCC2)c1F ZINC001233396440 1132617147 /nfs/dbraw/zinc/61/71/47/1132617147.db2.gz BYJOVRXFDOULSL-UHFFFAOYSA-N 0 1 269.335 3.827 20 0 CHADMN COc1ccc(C[NH+]2CC3CCC(CC3)C2)c(Cl)c1[O-] ZINC001233401116 1132619085 /nfs/dbraw/zinc/61/90/85/1132619085.db2.gz MOVVYKRAWYOGKV-UHFFFAOYSA-N 0 1 295.810 3.676 20 0 CHADMN Clc1cccn2cc(CN3CC4CCC(CC4)C3)nc12 ZINC001233423620 1132621597 /nfs/dbraw/zinc/62/15/97/1132621597.db2.gz DQNUVAMEVSKUGZ-UHFFFAOYSA-N 0 1 289.810 3.610 20 0 CHADMN CC(C)(C)OC(=O)Nc1cccc(Nc2ccncc2)c1 ZINC001173883204 1132623017 /nfs/dbraw/zinc/62/30/17/1132623017.db2.gz BTRHSTDPBLMWPR-UHFFFAOYSA-N 0 1 285.347 3.594 20 0 CHADMN FC(F)(F)Oc1cc(Cl)ccc1Nc1ccncc1 ZINC001173883458 1132623324 /nfs/dbraw/zinc/62/33/24/1132623324.db2.gz JVKGIEZIRILENF-UHFFFAOYSA-N 0 1 288.656 3.799 20 0 CHADMN CN(Cc1ccc2nc(Cl)ccc2c1)Cc1ccccn1 ZINC001233442424 1132623357 /nfs/dbraw/zinc/62/33/57/1132623357.db2.gz SHYIUVNBNKVGDN-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN Cc1ccc(Nc2ccncc2)cc1C(F)(F)F ZINC001173882445 1132623527 /nfs/dbraw/zinc/62/35/27/1132623527.db2.gz KUGIRLUNSDDILZ-UHFFFAOYSA-N 0 1 252.239 3.574 20 0 CHADMN FC(F)(F)Oc1cccc(Cl)c1Nc1ccncc1 ZINC001173883728 1132624804 /nfs/dbraw/zinc/62/48/04/1132624804.db2.gz YHUOCMBXQDJWEA-UHFFFAOYSA-N 0 1 288.656 3.799 20 0 CHADMN Nc1ccc(-c2ccc(Nc3ccncc3)cc2F)c(F)c1 ZINC001173884146 1132625223 /nfs/dbraw/zinc/62/52/23/1132625223.db2.gz JVMBBFICRZJNHZ-UHFFFAOYSA-N 0 1 297.308 3.775 20 0 CHADMN FC(F)(F)c1c(Cl)cccc1Nc1ccncc1 ZINC001173884389 1132625574 /nfs/dbraw/zinc/62/55/74/1132625574.db2.gz GWAXACKVOKNEBG-UHFFFAOYSA-N 0 1 272.657 3.919 20 0 CHADMN Fc1cc(Nc2ccncc2)cc(F)c1OCC1CCC1 ZINC001173884024 1132625742 /nfs/dbraw/zinc/62/57/42/1132625742.db2.gz COYWSYNBTNKRIW-UHFFFAOYSA-N 0 1 290.313 3.704 20 0 CHADMN CC(C)(C)OC(=O)Nc1ccccc1Nc1ccncc1 ZINC001173883659 1132625772 /nfs/dbraw/zinc/62/57/72/1132625772.db2.gz PBJZXRGBQBMLAZ-UHFFFAOYSA-N 0 1 285.347 3.594 20 0 CHADMN C[C@@H]1CCCN(Cc2cn3c(cccc3Cl)n2)C[C@@H]1C ZINC001233550908 1132635379 /nfs/dbraw/zinc/63/53/79/1132635379.db2.gz MCQKJUQESJRMCA-OLZOCXBDSA-N 0 1 291.826 3.856 20 0 CHADMN CCC[C@H](Oc1n[nH]c(=O)cc1Cl)c1ccccc1 ZINC001233589811 1132643248 /nfs/dbraw/zinc/64/32/48/1132643248.db2.gz MWYSCTOYHUNEMA-LBPRGKRZSA-N 0 1 278.739 3.756 20 0 CHADMN CC[C@H](Oc1n[nH]c(=O)cc1Cl)C1CCCCC1 ZINC001233588951 1132643726 /nfs/dbraw/zinc/64/37/26/1132643726.db2.gz HGUIJRVRFOTNJT-NSHDSACASA-N 0 1 270.760 3.573 20 0 CHADMN Cc1cc(CN2CC[C@@](C)(F)[C@@H](F)C2)sc1C ZINC001233656662 1132658633 /nfs/dbraw/zinc/65/86/33/1132658633.db2.gz ZWUKHUBEDLZEAZ-QWHCGFSZSA-N 0 1 259.365 3.637 20 0 CHADMN Cc1cc(Nc2cccc(C)c2C)n(-c2ccncc2)n1 ZINC001173954599 1132661771 /nfs/dbraw/zinc/66/17/71/1132661771.db2.gz ZLAPBGOMRNHPAH-UHFFFAOYSA-N 0 1 278.359 3.936 20 0 CHADMN O=C(Nc1cc2ccccc2s1)c1cccc2cncn21 ZINC001155787264 1132664893 /nfs/dbraw/zinc/66/48/93/1132664893.db2.gz USEUWJKBADWUOY-UHFFFAOYSA-N 0 1 293.351 3.801 20 0 CHADMN CCOc1cccc(CCNc2ccc3c(n2)CCC3)c1 ZINC001155871341 1132668207 /nfs/dbraw/zinc/66/82/07/1132668207.db2.gz SHEBKDGUNHTQNX-UHFFFAOYSA-N 0 1 282.387 3.624 20 0 CHADMN CCOc1ccnc(NCc2cc(C)cc(C)c2)c1 ZINC001155897592 1132669206 /nfs/dbraw/zinc/66/92/06/1132669206.db2.gz HJCCRUGAWGJRCQ-UHFFFAOYSA-N 0 1 256.349 3.709 20 0 CHADMN C[C@@H]1CCC[C@H](CNC(=O)c2ccc(Cl)c(O)c2)[C@@H]1C ZINC001156207935 1132688256 /nfs/dbraw/zinc/68/82/56/1132688256.db2.gz VUOCKEOABCRZAT-NQBHXWOUSA-N 0 1 295.810 3.848 20 0 CHADMN F[C@H]1CCN(Cc2ccccc2Cl)CCC1(F)F ZINC001203376961 1132691424 /nfs/dbraw/zinc/69/14/24/1132691424.db2.gz CCXJPQZFKHEDMU-LBPRGKRZSA-N 0 1 277.717 3.909 20 0 CHADMN COc1ccnc(N(C)C(C)(C)Cc2ccccc2)c1 ZINC001156515342 1132700746 /nfs/dbraw/zinc/70/07/46/1132700746.db2.gz CWYVFRGSGBLCGE-UHFFFAOYSA-N 0 1 270.376 3.548 20 0 CHADMN O=C1c2ccccc2[C@@H]2CN(Cc3ccccc3Cl)C[C@H]12 ZINC001203377875 1132701945 /nfs/dbraw/zinc/70/19/45/1132701945.db2.gz WKYCAPUBCODVEO-HOTGVXAUSA-N 0 1 297.785 3.752 20 0 CHADMN Cc1cnc(NC2CC(C)(C)N(O)C(C)(C)C2)cc1C ZINC001156888673 1132713240 /nfs/dbraw/zinc/71/32/40/1132713240.db2.gz MSOWMIYLWFRUAX-UHFFFAOYSA-N 0 1 277.412 3.521 20 0 CHADMN Cc1nc2cc(CNc3ccc4c(n3)CCC4)ccc2o1 ZINC001156935497 1132716592 /nfs/dbraw/zinc/71/65/92/1132716592.db2.gz ZUECBVIWBUSALM-UHFFFAOYSA-N 0 1 279.343 3.632 20 0 CHADMN O=C(Nc1c[nH]c2ccccc12)c1c(O)cccc1Cl ZINC001157066900 1132721221 /nfs/dbraw/zinc/72/12/21/1132721221.db2.gz KRSWEUKWGQTSKX-UHFFFAOYSA-N 0 1 286.718 3.779 20 0 CHADMN CCC[C@H](C(=O)N1CCCC[C@H]1c1cc(C)[nH]n1)C(C)C ZINC001157198389 1132723950 /nfs/dbraw/zinc/72/39/50/1132723950.db2.gz AKHXILIWGOTKBC-HOCLYGCPSA-N 0 1 291.439 3.844 20 0 CHADMN CCOc1ccnc(N(CC)Cc2cccc(F)c2F)c1 ZINC001157363394 1132728524 /nfs/dbraw/zinc/72/85/24/1132728524.db2.gz KYCQJFHAICGZAC-UHFFFAOYSA-N 0 1 292.329 3.785 20 0 CHADMN c1coc(-c2nnc(Nc3cccc4cnccc43)o2)c1 ZINC001174133864 1132742091 /nfs/dbraw/zinc/74/20/91/1132742091.db2.gz AQCLWTZGYYEEEZ-UHFFFAOYSA-N 0 1 278.271 3.621 20 0 CHADMN Cc1ccc(N[C@H]2CCNc3ccccc32)nc1C ZINC001157836913 1132747216 /nfs/dbraw/zinc/74/72/16/1132747216.db2.gz YTSKFVYOZUZNSN-HNNXBMFYSA-N 0 1 253.349 3.667 20 0 CHADMN c1ccc(CCCCNc2ccc3c(n2)CCCC3)nc1 ZINC001157973399 1132757475 /nfs/dbraw/zinc/75/74/75/1132757475.db2.gz WULNHKDTXSKQME-UHFFFAOYSA-N 0 1 281.403 3.790 20 0 CHADMN COc1ccc2c(ccnc2NCc2cc(C(C)C)no2)c1 ZINC001157992940 1132759641 /nfs/dbraw/zinc/75/96/41/1132759641.db2.gz KXBSWNCJQNQFHV-UHFFFAOYSA-N 0 1 297.358 3.967 20 0 CHADMN Fc1ccc2cc(Nc3ccc4nccn4c3)cnc2c1 ZINC001174278973 1132768401 /nfs/dbraw/zinc/76/84/01/1132768401.db2.gz UDPPSYMFKZVOKV-UHFFFAOYSA-N 0 1 278.290 3.765 20 0 CHADMN COc1cccc2ncc(Nc3ccc4nccn4c3)cc21 ZINC001174279219 1132768456 /nfs/dbraw/zinc/76/84/56/1132768456.db2.gz XXOBUAVMSAXHAP-UHFFFAOYSA-N 0 1 290.326 3.635 20 0 CHADMN c1cn2cc(Nc3cccc4ncsc43)ccc2n1 ZINC001174279143 1132768638 /nfs/dbraw/zinc/76/86/38/1132768638.db2.gz PIMDPKFFTRBYAL-UHFFFAOYSA-N 0 1 266.329 3.688 20 0 CHADMN COc1cccnc1CNc1nc(C)cc2ccccc21 ZINC001158325101 1132769461 /nfs/dbraw/zinc/76/94/61/1132769461.db2.gz CGGLGPNGBZGJHI-UHFFFAOYSA-N 0 1 279.343 3.559 20 0 CHADMN O=C1CCCc2cc(Nc3ccc4nccn4c3)ccc21 ZINC001174280404 1132769827 /nfs/dbraw/zinc/76/98/27/1132769827.db2.gz URXZGONJHASQAN-UHFFFAOYSA-N 0 1 277.327 3.597 20 0 CHADMN Cc1ccc(CCCNc2cc(OC(C)C)ccn2)cn1 ZINC001158376080 1132773200 /nfs/dbraw/zinc/77/32/00/1132773200.db2.gz IEMGEJZDEPJZPK-UHFFFAOYSA-N 0 1 285.391 3.617 20 0 CHADMN CC(C)OC(=O)c1ccc(Nc2ccc3nccn3c2)cc1 ZINC001174276349 1132783872 /nfs/dbraw/zinc/78/38/72/1132783872.db2.gz BZHSTQCKUJLAMY-UHFFFAOYSA-N 0 1 295.342 3.643 20 0 CHADMN Clc1cc(Cl)c(Nc2ccc3nccn3c2)cn1 ZINC001174277678 1132786027 /nfs/dbraw/zinc/78/60/27/1132786027.db2.gz AULPGFFHNRJBMS-UHFFFAOYSA-N 0 1 279.130 3.780 20 0 CHADMN CSc1cccc(Nc2ccc3nccn3c2)c1 ZINC001174276877 1132786115 /nfs/dbraw/zinc/78/61/15/1132786115.db2.gz UVOYBFAEOFVLMR-UHFFFAOYSA-N 0 1 255.346 3.800 20 0 CHADMN Fc1cc(Cl)ccc1Nc1ccc2nccn2c1 ZINC001174276942 1132786227 /nfs/dbraw/zinc/78/62/27/1132786227.db2.gz YKUPFHIXPBYXOE-UHFFFAOYSA-N 0 1 261.687 3.870 20 0 CHADMN COc1ccc2cc(Nc3ccc4nccn4c3)cnc2c1 ZINC001174278690 1132786566 /nfs/dbraw/zinc/78/65/66/1132786566.db2.gz QFGOSSUPDQGLNG-UHFFFAOYSA-N 0 1 290.326 3.635 20 0 CHADMN c1n[nH]c2cccc(Nc3cc(-c4ccncn4)cs3)c12 ZINC001174342482 1132800235 /nfs/dbraw/zinc/80/02/35/1132800235.db2.gz BZWWGRFIUXPNHC-UHFFFAOYSA-N 0 1 293.355 3.825 20 0 CHADMN O=c1[nH]c2ccc(Nc3cccc4[nH]ncc43)cc2s1 ZINC001174344256 1132800919 /nfs/dbraw/zinc/80/09/19/1132800919.db2.gz RBOWXDOPRYQAFZ-UHFFFAOYSA-N 0 1 282.328 3.622 20 0 CHADMN COc1cc(Cl)ccc1Nc1cccc2[nH]ncc21 ZINC001174344033 1132801759 /nfs/dbraw/zinc/80/17/59/1132801759.db2.gz KZAGDSASRVMHKK-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN FC(F)Oc1ccccc1Nc1cccc2[nH]ncc21 ZINC001174344196 1132802412 /nfs/dbraw/zinc/80/24/12/1132802412.db2.gz PMIHEUCJGNSKLG-UHFFFAOYSA-N 0 1 275.258 3.908 20 0 CHADMN CC(C)(C)Cc1cc(Nc2cccc3[nH]ncc32)on1 ZINC001174343202 1132802705 /nfs/dbraw/zinc/80/27/05/1132802705.db2.gz UBEBUQUSINMQEH-UHFFFAOYSA-N 0 1 270.336 3.883 20 0 CHADMN Cc1cnn(C2CCC2)c1Nc1cccc2[nH]ncc21 ZINC001174344440 1132802945 /nfs/dbraw/zinc/80/29/45/1132802945.db2.gz ASEZFFKPEMHSFD-UHFFFAOYSA-N 0 1 267.336 3.536 20 0 CHADMN Cc1cn(-c2ccc(Nc3cccc4[nH]ncc43)cc2)cn1 ZINC001174345106 1132803334 /nfs/dbraw/zinc/80/33/34/1132803334.db2.gz YOVXHGRGUIADMO-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN c1nsc2ccc(Nc3cccc4[nH]ncc43)cc12 ZINC001174345429 1132803718 /nfs/dbraw/zinc/80/37/18/1132803718.db2.gz AHCIKKIPRCYEJG-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN c1n[nH]c2cccc(Nc3ccc4ncccc4c3)c12 ZINC001174345046 1132803777 /nfs/dbraw/zinc/80/37/77/1132803777.db2.gz VHEITRBHAWFGFT-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN Fc1cnc2cccc(Nc3cccc4[nH]ncc43)c2c1 ZINC001174344971 1132804133 /nfs/dbraw/zinc/80/41/33/1132804133.db2.gz HREMWBWVNQJYCT-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Cc1c(Cl)ccc(N)c1Nc1cccc2[nH]ncc21 ZINC001174344994 1132804569 /nfs/dbraw/zinc/80/45/69/1132804569.db2.gz ISFGQQBOOGVRHQ-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Fc1ccc(Nc2cccc3[nH]ncc32)c2ccncc12 ZINC001174345392 1132804585 /nfs/dbraw/zinc/80/45/85/1132804585.db2.gz XXLZNZLHMPBLOP-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Cc1ccc(Nc2cccc3[nH]ncc32)c(Cl)c1O ZINC001174345831 1132804931 /nfs/dbraw/zinc/80/49/31/1132804931.db2.gz VLROKHABKPLGNU-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(C(F)(F)F)cc1F ZINC001174401190 1132815855 /nfs/dbraw/zinc/81/58/55/1132815855.db2.gz RMZLLMIFJITMPN-UHFFFAOYSA-N 0 1 273.233 3.630 20 0 CHADMN Fc1cc(Nc2cc([C@@H]3CCCCN3)no2)cc(F)c1F ZINC001159307829 1132828284 /nfs/dbraw/zinc/82/82/84/1132828284.db2.gz DZVDAFFEVIRWTN-NSHDSACASA-N 0 1 297.280 3.650 20 0 CHADMN CCOc1ccc(Nc2cc([C@@H]3CCCCN3)no2)cc1 ZINC001159309784 1132829975 /nfs/dbraw/zinc/82/99/75/1132829975.db2.gz YCLWALOCKGDFGM-AWEZNQCLSA-N 0 1 287.363 3.632 20 0 CHADMN Cc1cccc(Nc2cc([C@H]3CCCCN3)no2)c1 ZINC001159309825 1132830587 /nfs/dbraw/zinc/83/05/87/1132830587.db2.gz YOKLOMWTVJKARD-CYBMUJFWSA-N 0 1 257.337 3.541 20 0 CHADMN Cc1cc(Nc2cc(C)sc2C)n(-c2ccncc2)n1 ZINC001174419197 1132835974 /nfs/dbraw/zinc/83/59/74/1132835974.db2.gz GHCVRVZRCIZIKY-UHFFFAOYSA-N 0 1 284.388 3.998 20 0 CHADMN Nc1cccc(Nc2cc(Cl)cc3[nH]ncc32)c1 ZINC001159464200 1132850359 /nfs/dbraw/zinc/85/03/59/1132850359.db2.gz FHCKHBUHKPJFIC-UHFFFAOYSA-N 0 1 258.712 3.542 20 0 CHADMN [O-]c1cc(F)c(Nc2cccc3c2CC[NH2+]C3)cc1Cl ZINC001159548318 1132862646 /nfs/dbraw/zinc/86/26/46/1132862646.db2.gz GWZBWVCNCGUBMB-UHFFFAOYSA-N 0 1 292.741 3.574 20 0 CHADMN c1cc2ncc(Nc3ccc4c[nH]nc4c3)cc2s1 ZINC001174498304 1132863410 /nfs/dbraw/zinc/86/34/10/1132863410.db2.gz JRNXRPBUAJGXHJ-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN c1cc(Nc2ccc3c[nH]nc3c2)n(Cc2ccccc2)n1 ZINC001174498008 1132863460 /nfs/dbraw/zinc/86/34/60/1132863460.db2.gz PODXQNUUIMMPGL-UHFFFAOYSA-N 0 1 289.342 3.551 20 0 CHADMN Clc1ccc2nncc(Nc3ccc4c[nH]nc4c3)c2c1 ZINC001174497903 1132863561 /nfs/dbraw/zinc/86/35/61/1132863561.db2.gz AMMFAKVRSPGKPE-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN CC(C)Oc1cnc(F)c(Nc2cccc3[nH]ncc32)c1 ZINC001159574368 1132864836 /nfs/dbraw/zinc/86/48/36/1132864836.db2.gz DTWYUEBMRIZTOK-UHFFFAOYSA-N 0 1 286.310 3.628 20 0 CHADMN Cc1nc(Cl)nc(Cl)c1Nc1ccc2c[nH]nc2c1 ZINC001174498107 1132864915 /nfs/dbraw/zinc/86/49/15/1132864915.db2.gz VAYAYBGOVUZTIE-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN CC(=O)c1sccc1Nc1ccc2c[nH]nc2c1 ZINC001174498308 1132865208 /nfs/dbraw/zinc/86/52/08/1132865208.db2.gz JWUVSZKGQRUARD-UHFFFAOYSA-N 0 1 257.318 3.571 20 0 CHADMN COc1cc(Nc2cccc3[nH]ncc32)cc(C)c1F ZINC001159574557 1132865151 /nfs/dbraw/zinc/86/51/51/1132865151.db2.gz HCRZYFPHFZSMML-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN CCOc1cccc(Nc2cccc3[nH]ncc32)c1F ZINC001159574788 1132865461 /nfs/dbraw/zinc/86/54/61/1132865461.db2.gz XCBVOAQEFTYYCB-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN COc1c(C)ccc(F)c1Nc1cccc2[nH]ncc21 ZINC001159574333 1132865695 /nfs/dbraw/zinc/86/56/95/1132865695.db2.gz CAZFDGAPKILXKQ-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN c1n[nH]c2cc(Nc3nc4ccccc4s3)ccc12 ZINC001174499451 1132866255 /nfs/dbraw/zinc/86/62/55/1132866255.db2.gz QSPBWLPZOYQCAO-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN FC(F)Oc1ccccc1Nc1ccc2c[nH]nc2c1 ZINC001174499858 1132873254 /nfs/dbraw/zinc/87/32/54/1132873254.db2.gz CVNYADCWDFKKIA-UHFFFAOYSA-N 0 1 275.258 3.908 20 0 CHADMN CCOC(=O)C[C@H]1CC[C@H](Nc2cc(C)c(C)cn2)CC1 ZINC001159610217 1132875286 /nfs/dbraw/zinc/87/52/86/1132875286.db2.gz HFSAMCFKNDXYDB-SHTZXODSSA-N 0 1 290.407 3.622 20 0 CHADMN Cn1cc(-c2ccc(Nc3ccc4c[nH]nc4c3)cc2)cn1 ZINC001174499865 1132875823 /nfs/dbraw/zinc/87/58/23/1132875823.db2.gz DGCQJCUCYQPJML-UHFFFAOYSA-N 0 1 289.342 3.707 20 0 CHADMN c1cn(Cc2ccc(Nc3ccc4c[nH]nc4c3)cc2)cn1 ZINC001174499890 1132876604 /nfs/dbraw/zinc/87/66/04/1132876604.db2.gz DWHRWJWSYOQJHM-UHFFFAOYSA-N 0 1 289.342 3.551 20 0 CHADMN c1[nH]nc2cc(Nc3ccc4c(c3)CCCO4)ccc12 ZINC001159662111 1132885591 /nfs/dbraw/zinc/88/55/91/1132885591.db2.gz RALWAOWQQSEBOT-UHFFFAOYSA-N 0 1 265.316 3.632 20 0 CHADMN c1[nH]nc2cc(NC3=CCN(c4ccccc4)CC3)ccc12 ZINC001159662803 1132887137 /nfs/dbraw/zinc/88/71/37/1132887137.db2.gz FJKQXVSIHMVFDI-UHFFFAOYSA-N 0 1 290.370 3.769 20 0 CHADMN Fc1cc(Nc2ccc3cc[nH]c3c2)cc2[nH]ncc21 ZINC001159690585 1132891688 /nfs/dbraw/zinc/89/16/88/1132891688.db2.gz IBSOPYVPWAAKMP-UHFFFAOYSA-N 0 1 266.279 3.927 20 0 CHADMN CC(C)(O)c1ccccc1Nc1ccc2c[nH]nc2c1 ZINC001174501899 1132902666 /nfs/dbraw/zinc/90/26/66/1132902666.db2.gz MLJPTCHIFFAZBH-UHFFFAOYSA-N 0 1 267.332 3.534 20 0 CHADMN CC(=O)Nc1cc(Nc2ccc3c[nH]nc3c2)ccc1C ZINC001174500771 1132902842 /nfs/dbraw/zinc/90/28/42/1132902842.db2.gz XSJHSPSTUXNZEH-UHFFFAOYSA-N 0 1 280.331 3.573 20 0 CHADMN COC(=O)c1cc(C)c(Nc2ccc3c[nH]nc3c2)cc1C ZINC001174500689 1132903017 /nfs/dbraw/zinc/90/30/17/1132903017.db2.gz OEUNXEVQRVIAPK-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN CCOC(=O)c1ccc(F)c(Nc2ccc3c[nH]nc3c2)c1 ZINC001174501661 1132903102 /nfs/dbraw/zinc/90/31/02/1132903102.db2.gz DGDOHVVQSULGSV-UHFFFAOYSA-N 0 1 299.305 3.622 20 0 CHADMN FC(F)Oc1cccc(Nc2ccc3c[nH]nc3c2)c1 ZINC001174501905 1132903157 /nfs/dbraw/zinc/90/31/57/1132903157.db2.gz MUZRSSWQIKNRDO-UHFFFAOYSA-N 0 1 275.258 3.908 20 0 CHADMN CCOC(=O)c1ccc(C)c(Nc2ccc3c[nH]nc3c2)c1 ZINC001174502343 1132903980 /nfs/dbraw/zinc/90/39/80/1132903980.db2.gz ZYROGFTXXSOVIE-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN CCN(C)c1ccc(Nc2ccc3c[nH]nc3c2)cc1 ZINC001174502700 1132904312 /nfs/dbraw/zinc/90/43/12/1132904312.db2.gz YISLYCXKUFXHTR-UHFFFAOYSA-N 0 1 266.348 3.763 20 0 CHADMN O=C(c1ccc(Nc2ccc3c[nH]nc3c2)cc1)C1CC1 ZINC001174502275 1132904632 /nfs/dbraw/zinc/90/46/32/1132904632.db2.gz JYMWYNKEPMTLJT-UHFFFAOYSA-N 0 1 277.327 3.899 20 0 CHADMN COC(=O)c1cc(C)c(C)c(Nc2ccc3c[nH]nc3c2)c1 ZINC001174502517 1132904842 /nfs/dbraw/zinc/90/48/42/1132904842.db2.gz SLDVPLXMJLJBNZ-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN COc1cc(OC)cc([C@H](C)Nc2cc(C)c(C)cn2)c1 ZINC001159815073 1132911428 /nfs/dbraw/zinc/91/14/28/1132911428.db2.gz KPBRDASEDVFFSW-ZDUSSCGKSA-N 0 1 286.375 3.889 20 0 CHADMN COc1cc(OC)cc([C@H](C)Nc2ccc3c(n2)CCC3)c1 ZINC001159811454 1132912177 /nfs/dbraw/zinc/91/21/77/1132912177.db2.gz FBFWCSFZFVXJQC-LBPRGKRZSA-N 0 1 298.386 3.761 20 0 CHADMN Nc1nc2ccc(Nc3cc4[nH]ncc4c(F)c3)cc2s1 ZINC001159823421 1132912728 /nfs/dbraw/zinc/91/27/28/1132912728.db2.gz WZTMFTKXTXJBDP-UHFFFAOYSA-N 0 1 299.334 3.638 20 0 CHADMN Nc1ccc(Cl)c(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001159875865 1132918243 /nfs/dbraw/zinc/91/82/43/1132918243.db2.gz FITJCGQVULYNAE-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(Cl)cc3N)cc12 ZINC001160263755 1132953373 /nfs/dbraw/zinc/95/33/73/1132953373.db2.gz FWFIKDKUKLKXLN-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccc2c1CCN2 ZINC001160278834 1132957461 /nfs/dbraw/zinc/95/74/61/1132957461.db2.gz XBIXDQOVUDZWAV-UHFFFAOYSA-N 0 1 291.354 3.955 20 0 CHADMN Cc1ccc(N)c(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001160335721 1132963570 /nfs/dbraw/zinc/96/35/70/1132963570.db2.gz DCVBOTUCDLHGKV-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN Cc1cc2ccccc2c(N[C@](C)(CO)c2ccccc2)n1 ZINC001160434556 1132970208 /nfs/dbraw/zinc/97/02/08/1132970208.db2.gz JBLAVMIIZOHBOE-LJQANCHMSA-N 0 1 292.382 3.863 20 0 CHADMN Cc1cnc(NC2CC3(C2)CC(F)(F)C3)cc1C ZINC001160590966 1132975471 /nfs/dbraw/zinc/97/54/71/1132975471.db2.gz CQAVZUJAQMMCEG-UHFFFAOYSA-N 0 1 252.308 3.688 20 0 CHADMN Cc1cc2ccccc2c(NCc2cccc(CCO)c2)n1 ZINC001161015600 1132989836 /nfs/dbraw/zinc/98/98/36/1132989836.db2.gz LFHSYOSGUMFOKB-UHFFFAOYSA-N 0 1 292.382 3.690 20 0 CHADMN Cc1ccccc1CNc1cnccc1/C=C/N(C)C ZINC001161625300 1133011699 /nfs/dbraw/zinc/01/16/99/1133011699.db2.gz FWFBAHSJJNWAJQ-PKNBQFBNSA-N 0 1 267.376 3.534 20 0 CHADMN COc1ncccc1[C@H](Nc1ncc(C)cc1C)C1CC1 ZINC001161784605 1133028625 /nfs/dbraw/zinc/02/86/25/1133028625.db2.gz WVYTWIHPWJJAQI-OAHLLOKOSA-N 0 1 283.375 3.665 20 0 CHADMN CCC(=O)Nc1cc(NCCc2cc(C)ccc2C)ccn1 ZINC001161835608 1133033747 /nfs/dbraw/zinc/03/37/47/1133033747.db2.gz UYQUSVMVOYVMDS-UHFFFAOYSA-N 0 1 297.402 3.702 20 0 CHADMN Fc1cc([C@@H](Nc2ccc3c(n2)CCC3)C2CC2)ccn1 ZINC001161841482 1133035460 /nfs/dbraw/zinc/03/54/60/1133035460.db2.gz ULUWBCBMWOGNRJ-KRWDZBQOSA-N 0 1 283.350 3.668 20 0 CHADMN Cc1ccc2c(ccnc2NCCC2CCOCC2)c1 ZINC001162218459 1133060737 /nfs/dbraw/zinc/06/07/37/1133060737.db2.gz YRANAJRWBRCXTQ-UHFFFAOYSA-N 0 1 270.376 3.772 20 0 CHADMN Cc1cnc(N[C@@H]2CCOc3c(F)cc(F)cc32)cc1C ZINC001162407343 1133076193 /nfs/dbraw/zinc/07/61/93/1133076193.db2.gz SODSDABEBZYTOQ-CQSZACIVSA-N 0 1 290.313 3.912 20 0 CHADMN Cc1nc2cncc(NC[C@@H]3CCCC[C@H]3C)c2[nH]1 ZINC001162529461 1133089090 /nfs/dbraw/zinc/08/90/90/1133089090.db2.gz ALGHOPBJXNRTHH-PWSUYJOCSA-N 0 1 258.369 3.505 20 0 CHADMN C[C@@H]1CC(Nc2ccncc2C(F)(F)F)C[C@@H](C)C1 ZINC001162567821 1133091396 /nfs/dbraw/zinc/09/13/96/1133091396.db2.gz JFRSWXFRKMYNRT-UWVGGRQHSA-N 0 1 272.314 3.759 20 0 CHADMN Cc1ccc(N[C@H](c2ccccc2)c2cccnn2)nc1C ZINC001163102528 1133130651 /nfs/dbraw/zinc/13/06/51/1133130651.db2.gz OUYXTTIUWCHAHW-GOSISDBHSA-N 0 1 290.370 3.690 20 0 CHADMN CC1=C(C)CN(c2ccncc2C(F)(F)F)CC1 ZINC001163185236 1133134119 /nfs/dbraw/zinc/13/41/19/1133134119.db2.gz NWCRCBYMTLYLCQ-UHFFFAOYSA-N 0 1 256.271 3.647 20 0 CHADMN Cc1ccnc(NCCCOc2ccccc2C)c1C ZINC001163970971 1133189620 /nfs/dbraw/zinc/18/96/20/1133189620.db2.gz NWXRPZYCJAGBBT-UHFFFAOYSA-N 0 1 270.376 3.888 20 0 CHADMN c1ccn(CCNc2cc(OCc3ccccc3)ccn2)c1 ZINC001164443428 1133218103 /nfs/dbraw/zinc/21/81/03/1133218103.db2.gz QLZJPNGMUFLONC-UHFFFAOYSA-N 0 1 293.370 3.574 20 0 CHADMN CCC1CCN(c2nccc3cc(OC)ccc32)CC1 ZINC001164446138 1133219591 /nfs/dbraw/zinc/21/95/91/1133219591.db2.gz CXCPGJNPIUHUGZ-UHFFFAOYSA-N 0 1 270.376 3.870 20 0 CHADMN Cc1cnc(N2CCC(F)(F)C(C)(C)C2)cc1C ZINC001165217326 1133230624 /nfs/dbraw/zinc/23/06/24/1133230624.db2.gz YKMGYMNDNNXTEL-UHFFFAOYSA-N 0 1 254.324 3.570 20 0 CHADMN Cc1ccc(N(C)Cc2ncccc2C(F)(F)F)nc1C ZINC001165222160 1133230841 /nfs/dbraw/zinc/23/08/41/1133230841.db2.gz IGBOERCFZYVTIU-UHFFFAOYSA-N 0 1 295.308 3.749 20 0 CHADMN COc1ccc2c(ccnc2N2CCC23CCCC3)c1 ZINC001165280746 1133236059 /nfs/dbraw/zinc/23/60/59/1133236059.db2.gz OAYDDGLQTREQTE-UHFFFAOYSA-N 0 1 268.360 3.766 20 0 CHADMN CCc1cc(CN2CCC[C@H]2c2ccccc2)on1 ZINC001203218564 1133306626 /nfs/dbraw/zinc/30/66/26/1133306626.db2.gz GEDZWJFIXOUOAK-INIZCTEOSA-N 0 1 256.349 3.574 20 0 CHADMN Cc1ccc(CNC/C=C\c2ccc(F)cc2F)o1 ZINC001203270735 1133309555 /nfs/dbraw/zinc/30/95/55/1133309555.db2.gz NIMRORJKOZFKBU-IHWYPQMZSA-N 0 1 263.287 3.669 20 0 CHADMN COc1ccc(C2=CCN(Cc3ccco3)CC2)cc1 ZINC001203284566 1133310015 /nfs/dbraw/zinc/31/00/15/1133310015.db2.gz JBJSRBKOBATYQO-UHFFFAOYSA-N 0 1 269.344 3.578 20 0 CHADMN COC(=O)c1cccc([C@@H]2CCCN2Cc2ccc(C)o2)c1 ZINC001203300203 1133312541 /nfs/dbraw/zinc/31/25/41/1133312541.db2.gz CCDQNUKTAPJLRV-KRWDZBQOSA-N 0 1 299.370 3.712 20 0 CHADMN Cc1ccc(CN2CCSc3ccccc3C2)o1 ZINC001203301272 1133312633 /nfs/dbraw/zinc/31/26/33/1133312633.db2.gz GSPAJOCNIJSPCU-UHFFFAOYSA-N 0 1 259.374 3.696 20 0 CHADMN Fc1ccc(O[C@H]2CCN(Cc3ccccc3F)C2)cc1 ZINC001203352706 1133317827 /nfs/dbraw/zinc/31/78/27/1133317827.db2.gz LXCQDDLWEXALSN-INIZCTEOSA-N 0 1 289.325 3.618 20 0 CHADMN Clc1cccc(Cl)c1CN1C[C@H]2CC[C@@H]1C2 ZINC001203423119 1133326656 /nfs/dbraw/zinc/32/66/56/1133326656.db2.gz RRGBWOKGZGGVOO-VHSXEESVSA-N 0 1 256.176 3.978 20 0 CHADMN Fc1ccc(/C=C/CNc2ccc3c[nH]nc3c2)c(F)c1 ZINC001203478782 1133332570 /nfs/dbraw/zinc/33/25/70/1133332570.db2.gz IJKLUZFTFQPINB-OWOJBTEDSA-N 0 1 285.297 3.966 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C)c(C)c2)c(OC)c1 ZINC001203484514 1133332831 /nfs/dbraw/zinc/33/28/31/1133332831.db2.gz ORLSVYAGUIPCCY-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN COc1cc(CNc2nc3cc(C)ccc3[nH]2)ccc1F ZINC001203478970 1133333050 /nfs/dbraw/zinc/33/30/50/1133333050.db2.gz MGOYDZUEZSAELD-UHFFFAOYSA-N 0 1 285.322 3.631 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccc(C)n1 ZINC001203519275 1133334843 /nfs/dbraw/zinc/33/48/43/1133334843.db2.gz BPUXJIQQLGQCMJ-UHFFFAOYSA-N 0 1 265.316 3.690 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(F)nc(F)c1 ZINC001203522024 1133335037 /nfs/dbraw/zinc/33/50/37/1133335037.db2.gz HAQSJDNIUKMBCD-UHFFFAOYSA-N 0 1 287.269 3.660 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(F)cn1 ZINC001203519510 1133336230 /nfs/dbraw/zinc/33/62/30/1133336230.db2.gz JEJPRRJHJBOKCC-UHFFFAOYSA-N 0 1 269.279 3.521 20 0 CHADMN COc1ccc2c(c1)nccc2N1CCc2c1cccc2N ZINC001203528530 1133336621 /nfs/dbraw/zinc/33/66/21/1133336621.db2.gz QKRNICVZOMHONJ-UHFFFAOYSA-N 0 1 291.354 3.520 20 0 CHADMN COc1ccc(Nc2ccnc3cc(OC)ccc32)c(O)c1 ZINC001203525955 1133337030 /nfs/dbraw/zinc/33/70/30/1133337030.db2.gz JYIJNLGZHQBQOW-UHFFFAOYSA-N 0 1 296.326 3.701 20 0 CHADMN CCOc1ccccc1CN1CC[C@@H](F)C(F)(F)CC1 ZINC001203535344 1133337410 /nfs/dbraw/zinc/33/74/10/1133337410.db2.gz QMASNFUYXONTEO-CQSZACIVSA-N 0 1 287.325 3.655 20 0 CHADMN Cc1cccc(CNCc2ccc3c(c2)C[C@@H](C)O3)c1F ZINC001203598484 1133343553 /nfs/dbraw/zinc/34/35/53/1133343553.db2.gz SMJPZGRUZFRJBK-CYBMUJFWSA-N 0 1 285.362 3.747 20 0 CHADMN COc1cc2c(cn1)CCN(Cc1c(C)cc(C)cc1C)C2 ZINC001203740370 1133362762 /nfs/dbraw/zinc/36/27/62/1133362762.db2.gz HSSCXPSROBAGPY-UHFFFAOYSA-N 0 1 296.414 3.574 20 0 CHADMN COc1cc(C)c(CN2CCOc3ccccc3C2)cc1C ZINC001203754962 1133365356 /nfs/dbraw/zinc/36/53/56/1133365356.db2.gz ZODUWFQXDGGOJO-UHFFFAOYSA-N 0 1 297.398 3.707 20 0 CHADMN Fc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC001203786769 1133367817 /nfs/dbraw/zinc/36/78/17/1133367817.db2.gz PANROSSEJNFLFO-QGZVFWFLSA-N 0 1 289.325 3.618 20 0 CHADMN Fc1ccc(O[C@@H]2CCN(Cc3cccc(F)c3)C2)cc1 ZINC001203786769 1133367820 /nfs/dbraw/zinc/36/78/20/1133367820.db2.gz PANROSSEJNFLFO-QGZVFWFLSA-N 0 1 289.325 3.618 20 0 CHADMN Cc1ccc2c(c1)CC[N@H+](Cc1cccc(F)c1)C2 ZINC001203787751 1133368227 /nfs/dbraw/zinc/36/82/27/1133368227.db2.gz CPPLLKAEMMEVIM-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1cccc(F)c1)C2 ZINC001203787751 1133368230 /nfs/dbraw/zinc/36/82/30/1133368230.db2.gz CPPLLKAEMMEVIM-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN COc1ccc2c(c1)CN(Cc1ccc(F)cc1)CCC2 ZINC001203915607 1133384547 /nfs/dbraw/zinc/38/45/47/1133384547.db2.gz WDBYCWHLYDOTRQ-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN CCCCOc1ccc(CN2CCC(C(C)=O)CC2)cc1 ZINC001203970767 1133390947 /nfs/dbraw/zinc/39/09/47/1133390947.db2.gz STIUQSGTDLKUTQ-UHFFFAOYSA-N 0 1 289.419 3.667 20 0 CHADMN COc1ccc2ccccc2c1CN1CCC[C@H](F)C1 ZINC001203990222 1133394841 /nfs/dbraw/zinc/39/48/41/1133394841.db2.gz UQSRBKTYDSKDTP-AWEZNQCLSA-N 0 1 273.351 3.782 20 0 CHADMN Cc1ccc(CN2CCC(=O)[C@H](C)C23CCCC3)s1 ZINC001204034226 1133400649 /nfs/dbraw/zinc/40/06/49/1133400649.db2.gz DFEZZXSSUJNYRN-ZDUSSCGKSA-N 0 1 277.433 3.780 20 0 CHADMN c1cc(CN2CCCC[C@H]2c2cccnc2)cs1 ZINC001204039320 1133402323 /nfs/dbraw/zinc/40/23/23/1133402323.db2.gz XAFNEWYXVFTMQI-HNNXBMFYSA-N 0 1 258.390 3.870 20 0 CHADMN c1cc(CN2CCOC[C@H]2C2CCCCC2)cs1 ZINC001204046441 1133403273 /nfs/dbraw/zinc/40/32/73/1133403273.db2.gz YOCVMUWSCHYPCC-HNNXBMFYSA-N 0 1 265.422 3.529 20 0 CHADMN COc1ccccc1CN(C)Cc1c[nH]c2ccccc12 ZINC001204046359 1133403289 /nfs/dbraw/zinc/40/32/89/1133403289.db2.gz RSGDRIWOUHYXDL-UHFFFAOYSA-N 0 1 280.371 3.809 20 0 CHADMN Fc1ccc([C@@H]2CCCN2Cc2ccc3c(c2)OCO3)cc1 ZINC001204051824 1133404223 /nfs/dbraw/zinc/40/42/23/1133404223.db2.gz YCKKMNDCYVAXHI-INIZCTEOSA-N 0 1 299.345 3.892 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2)Cc2ccccc21 ZINC001204150233 1133411734 /nfs/dbraw/zinc/41/17/34/1133411734.db2.gz BVECMEZNQGYSGA-ZDUSSCGKSA-N 0 1 281.355 3.504 20 0 CHADMN CCc1ccc(CN2CCC(=O)[C@H](C)C23CCCC3)cc1 ZINC001204179094 1133416103 /nfs/dbraw/zinc/41/61/03/1133416103.db2.gz IDGZTUOGPGJPEV-HNNXBMFYSA-N 0 1 285.431 3.973 20 0 CHADMN CCOc1cc(C[N@H+]2CCCC[C@@](C)(F)C2)ccc1OC ZINC001204184704 1133417105 /nfs/dbraw/zinc/41/71/05/1133417105.db2.gz MRNFWTRLCUPKKT-QGZVFWFLSA-N 0 1 295.398 3.808 20 0 CHADMN CCOc1cc(CN2CCCC[C@@](C)(F)C2)ccc1OC ZINC001204184704 1133417111 /nfs/dbraw/zinc/41/71/11/1133417111.db2.gz MRNFWTRLCUPKKT-QGZVFWFLSA-N 0 1 295.398 3.808 20 0 CHADMN CN(CCc1ccccc1F)Cc1ccc(F)cc1F ZINC001204213198 1133418878 /nfs/dbraw/zinc/41/88/78/1133418878.db2.gz LZTNDAQWGVHCMF-UHFFFAOYSA-N 0 1 279.305 3.778 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2c(F)cccc2F)CC1 ZINC001204208574 1133420083 /nfs/dbraw/zinc/42/00/83/1133420083.db2.gz WQWMBEROUGFDCB-HAQNSBGRSA-N 0 1 253.336 3.975 20 0 CHADMN Fc1ccc(CN2CC[C@H](Oc3ccccc3)C2)cc1F ZINC001204224848 1133420944 /nfs/dbraw/zinc/42/09/44/1133420944.db2.gz YAANTOCLSHLRED-HNNXBMFYSA-N 0 1 289.325 3.618 20 0 CHADMN CN(CCc1cccc(F)c1)Cc1cc(F)ccc1F ZINC001204220490 1133421148 /nfs/dbraw/zinc/42/11/48/1133421148.db2.gz ASWNIAPUMXBMTC-UHFFFAOYSA-N 0 1 279.305 3.778 20 0 CHADMN Fc1ccc(CN2CCC23CCCC3)cc1Cl ZINC001204281115 1133427171 /nfs/dbraw/zinc/42/71/71/1133427171.db2.gz SVAIGXKQTNFCPS-UHFFFAOYSA-N 0 1 253.748 3.998 20 0 CHADMN Cc1[nH]c2ccccc2c1CN(C)Cc1cccnc1 ZINC001204286928 1133429076 /nfs/dbraw/zinc/42/90/76/1133429076.db2.gz QGNSRSAGIMZPHL-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN CCCCCCOc1ccccc1CN(C)[C@@H]1CCOC1 ZINC001204294460 1133430781 /nfs/dbraw/zinc/43/07/81/1133430781.db2.gz PBSUOUSXNZVFHS-QGZVFWFLSA-N 0 1 291.435 3.866 20 0 CHADMN CCCOc1ccc(CN(CC)Cc2cccnc2)cc1 ZINC001204309643 1133433754 /nfs/dbraw/zinc/43/37/54/1133433754.db2.gz ZSACFHNMIUWQOC-UHFFFAOYSA-N 0 1 284.403 3.893 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1c(F)cc(C)cc1F ZINC001204479509 1133452428 /nfs/dbraw/zinc/45/24/28/1133452428.db2.gz IRBBTHFMLOAUMM-LLVKDONJSA-N 0 1 273.392 3.847 20 0 CHADMN Cc1ncccc1CN(C)Cc1cn(C)c2ccccc12 ZINC001204319115 1133436415 /nfs/dbraw/zinc/43/64/15/1133436415.db2.gz IHGKSCBTDNLJHH-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2cc(C)nc(C)c2)n1 ZINC001204348083 1133437626 /nfs/dbraw/zinc/43/76/26/1133437626.db2.gz OVVWHAIAHMBWGS-SFHVURJKSA-N 0 1 281.403 3.739 20 0 CHADMN CCOC(=O)CN(Cc1ccc(C)c(C)c1)C1CCCC1 ZINC001204357356 1133440297 /nfs/dbraw/zinc/44/02/97/1133440297.db2.gz SRIWFEFOSVXKSO-UHFFFAOYSA-N 0 1 289.419 3.611 20 0 CHADMN CCc1[nH]nc(Cl)c1C[N@@H+](CCC(C)C)C1CC1 ZINC001204411186 1133443876 /nfs/dbraw/zinc/44/38/76/1133443876.db2.gz LOIHMYPLOPFJSO-UHFFFAOYSA-N 0 1 269.820 3.636 20 0 CHADMN CCc1[nH]nc(Cl)c1CN(CCC(C)C)C1CC1 ZINC001204411186 1133443879 /nfs/dbraw/zinc/44/38/79/1133443879.db2.gz LOIHMYPLOPFJSO-UHFFFAOYSA-N 0 1 269.820 3.636 20 0 CHADMN CC[C@@H]1CCN(Cc2ccccc2OC(F)(F)F)C1 ZINC001204430074 1133446601 /nfs/dbraw/zinc/44/66/01/1133446601.db2.gz CQPOODCNAUJXLT-LLVKDONJSA-N 0 1 273.298 3.817 20 0 CHADMN CC(C)C1(CN(Cc2cc[nH]n2)Cc2ccccc2)CC1 ZINC001204441035 1133447518 /nfs/dbraw/zinc/44/75/18/1133447518.db2.gz CESVPMKGOTWRFZ-UHFFFAOYSA-N 0 1 283.419 3.848 20 0 CHADMN CC(C)Oc1ccc(CN(C)C2CC(F)(F)C2)cc1 ZINC001204453304 1133448386 /nfs/dbraw/zinc/44/83/86/1133448386.db2.gz SWPUDFLAZWAEEE-UHFFFAOYSA-N 0 1 269.335 3.703 20 0 CHADMN Fc1c(Br)cccc1CN1CCC[C@@H]1C1CC1 ZINC001204449024 1133449081 /nfs/dbraw/zinc/44/90/81/1133449081.db2.gz HFQDJMBACCUHPD-CYBMUJFWSA-N 0 1 298.199 3.963 20 0 CHADMN CN(Cc1ccc(Cl)s1)C[C@@H]1Cc2ccccc2O1 ZINC001204447930 1133449135 /nfs/dbraw/zinc/44/91/35/1133449135.db2.gz NGUGRRMDMNSUGI-LBPRGKRZSA-N 0 1 293.819 3.837 20 0 CHADMN Cc1ncccc1CN(C)Cc1ccc(OC(C)C)cc1 ZINC001204458040 1133450372 /nfs/dbraw/zinc/45/03/72/1133450372.db2.gz QXXIFCIFHNUYBA-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN Cc1cc(C)cc(CN2CC[C@@](C)(F)[C@H](F)C2)c1 ZINC001204519841 1133456157 /nfs/dbraw/zinc/45/61/57/1133456157.db2.gz OOTHBWGAYWUMRJ-HUUCEWRRSA-N 0 1 253.336 3.575 20 0 CHADMN COc1ccc2cc(CN3CCCC[C@@H]3C(C)=O)ccc2c1 ZINC001204517647 1133456427 /nfs/dbraw/zinc/45/64/27/1133456427.db2.gz PQQYLRMEZOHYQS-LJQANCHMSA-N 0 1 297.398 3.792 20 0 CHADMN Fc1cc(CN2CC[C@H]3CCC[C@H]3C2)cc(F)c1F ZINC001204525128 1133457809 /nfs/dbraw/zinc/45/78/09/1133457809.db2.gz QISQMACDXOJWSB-NEPJUHHUSA-N 0 1 269.310 3.726 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(-n3ccnc3)cc2)oc1C ZINC001204538904 1133458679 /nfs/dbraw/zinc/45/86/79/1133458679.db2.gz IQQKYHZZAHUYSG-UHFFFAOYSA-N 0 1 295.386 3.714 20 0 CHADMN Cc1cc(CN2CCC(C(=O)c3ccccc3)CC2)oc1C ZINC001204530358 1133459533 /nfs/dbraw/zinc/45/95/33/1133459533.db2.gz CSSMEMCYTJDTES-UHFFFAOYSA-N 0 1 297.398 3.991 20 0 CHADMN Cc1cc(CN2CCC[C@@H](C(F)(F)F)C2)oc1C ZINC001204532823 1133460152 /nfs/dbraw/zinc/46/01/52/1133460152.db2.gz GOZLVUCINHCJMB-LLVKDONJSA-N 0 1 261.287 3.671 20 0 CHADMN CCN(Cc1cc(C)c(C)o1)Cc1ccc2c(c1)OCO2 ZINC001204541650 1133461569 /nfs/dbraw/zinc/46/15/69/1133461569.db2.gz OEJDCZLWLKHJAY-UHFFFAOYSA-N 0 1 287.359 3.647 20 0 CHADMN c1csc(CN2CCC3(CCc4ccccc43)CC2)n1 ZINC001204545535 1133461594 /nfs/dbraw/zinc/46/15/94/1133461594.db2.gz WZVQJDJXXAVPLL-UHFFFAOYSA-N 0 1 284.428 3.623 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1ccc(F)c(OC)c1 ZINC001204563140 1133462139 /nfs/dbraw/zinc/46/21/39/1133462139.db2.gz GTMFNTRISDGFKD-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN COc1cc(CN(C)Cc2cccs2)ccc1F ZINC001204560915 1133462833 /nfs/dbraw/zinc/46/28/33/1133462833.db2.gz FHYKMTLWUOSABG-UHFFFAOYSA-N 0 1 265.353 3.528 20 0 CHADMN COCC1CN(Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001204695633 1133477434 /nfs/dbraw/zinc/47/74/34/1133477434.db2.gz XDIMEYIUMTXLIM-UHFFFAOYSA-N 0 1 291.778 3.678 20 0 CHADMN CSCc1ccc(CN(C)Cc2ccoc2)cc1 ZINC001204707060 1133477730 /nfs/dbraw/zinc/47/77/30/1133477730.db2.gz UCLWQYULPPOCCC-UHFFFAOYSA-N 0 1 261.390 3.775 20 0 CHADMN C[C@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1C ZINC001204767395 1133483292 /nfs/dbraw/zinc/48/32/92/1133483292.db2.gz BVUGLMSMVVDDDG-AOOOYVTPSA-N 0 1 275.289 3.932 20 0 CHADMN Cc1ccc(CCN(C)Cc2nc3ccccc3[nH]2)cc1 ZINC001204786735 1133485318 /nfs/dbraw/zinc/48/53/18/1133485318.db2.gz YOKUJTNBTYRJKK-UHFFFAOYSA-N 0 1 279.387 3.546 20 0 CHADMN CCn1cnc(Cl)c1CN1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC001204891441 1133496127 /nfs/dbraw/zinc/49/61/27/1133496127.db2.gz RVAVHRKDWJTWSD-MJBXVCDLSA-N 0 1 295.858 3.957 20 0 CHADMN CC[C@@H](C)[C@@H](CN(C)Cc1cc(F)c(F)c(F)c1)OC ZINC001204977328 1133511917 /nfs/dbraw/zinc/51/19/17/1133511917.db2.gz WABCOIVQVVCUDI-QMTHXVAHSA-N 0 1 289.341 3.597 20 0 CHADMN c1ccc(CCO[C@H]2CCN3Cc4ccccc4N=C23)cc1 ZINC001204999658 1133514943 /nfs/dbraw/zinc/51/49/43/1133514943.db2.gz FSRMAYNQWRGHIP-SFHVURJKSA-N 0 1 292.382 3.564 20 0 CHADMN CCc1[nH]nc(Cl)c1CN(C)[C@H]1CCC[C@H](C)C1 ZINC001205076678 1133523947 /nfs/dbraw/zinc/52/39/47/1133523947.db2.gz DVOQYKIIEITNKX-QWRGUYRKSA-N 0 1 269.820 3.636 20 0 CHADMN C[C@H]1c2cccn2CCN1CC(C)(C)Oc1ccccc1 ZINC001205094435 1133527389 /nfs/dbraw/zinc/52/73/89/1133527389.db2.gz VGRDTWWOWTULQG-HNNXBMFYSA-N 0 1 284.403 3.722 20 0 CHADMN Cc1cccc(CN2CCO[C@@H](Cc3ccccc3)C2)c1C ZINC001205096259 1133528710 /nfs/dbraw/zinc/52/87/10/1133528710.db2.gz ZMOCDGMYZMZMMP-FQEVSTJZSA-N 0 1 295.426 3.747 20 0 CHADMN COc1cc(Cl)cc(-c2cccn3cncc23)c1 ZINC001205144216 1133536588 /nfs/dbraw/zinc/53/65/88/1133536588.db2.gz CRICBPIHONZXID-UHFFFAOYSA-N 0 1 258.708 3.663 20 0 CHADMN Nc1nc(Cl)ccc1CN1CCC2(CCCCC2)CC1 ZINC001205171784 1133540423 /nfs/dbraw/zinc/54/04/23/1133540423.db2.gz ZFSRAAUKBLIGPF-UHFFFAOYSA-N 0 1 293.842 3.864 20 0 CHADMN Cc1nc2ncc(-c3c(F)cc(F)c(F)c3F)c(C)c2[nH]1 ZINC001205198982 1133545526 /nfs/dbraw/zinc/54/55/26/1133545526.db2.gz YFNDKOAESIAUBY-UHFFFAOYSA-N 0 1 295.239 3.798 20 0 CHADMN Cc1ccc(CN2CCN(C)C[C@H]2c2ccccc2)cc1F ZINC001205205672 1133546750 /nfs/dbraw/zinc/54/67/50/1133546750.db2.gz HBFLBUBAGCAAIA-IBGZPJMESA-N 0 1 298.405 3.623 20 0 CHADMN CCN(Cc1cccnc1)Cc1ccc(C)c(F)c1 ZINC001205236213 1133548528 /nfs/dbraw/zinc/54/85/28/1133548528.db2.gz JUYDOKGUZLOPIW-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN F[C@H]1CN(Cc2cccc3[nH]ccc32)CCCC1(F)F ZINC001205255696 1133549984 /nfs/dbraw/zinc/54/99/84/1133549984.db2.gz KCPFISWIWGSPNW-AWEZNQCLSA-N 0 1 282.309 3.737 20 0 CHADMN CN(Cc1nccn1C)CC1CCC2(CCCCC2)CC1 ZINC001205340893 1133564504 /nfs/dbraw/zinc/56/45/04/1133564504.db2.gz NQUNYKITNGOCLD-UHFFFAOYSA-N 0 1 289.467 3.993 20 0 CHADMN Cc1ncccc1Nc1ccncc1Oc1ccccc1 ZINC001205338763 1133564981 /nfs/dbraw/zinc/56/49/81/1133564981.db2.gz QOVKSZCGJVUIHC-UHFFFAOYSA-N 0 1 277.327 3.743 20 0 CHADMN FC(F)c1cccc(CNCc2cnc3ccccc3n2)c1 ZINC001205414530 1133574250 /nfs/dbraw/zinc/57/42/50/1133574250.db2.gz IXEBAKDGIYGNQS-UHFFFAOYSA-N 0 1 299.324 3.857 20 0 CHADMN COc1cc(Cl)c(CN2CCCC(C)(C)C2)cc1OC ZINC001205414317 1133574767 /nfs/dbraw/zinc/57/47/67/1133574767.db2.gz CNJLHQVHCKTHRQ-UHFFFAOYSA-N 0 1 297.826 3.979 20 0 CHADMN CC(C)CCCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001205453922 1133579188 /nfs/dbraw/zinc/57/91/88/1133579188.db2.gz SGTSXXUFMJKNSU-HNNXBMFYSA-N 0 1 298.471 3.754 20 0 CHADMN CN(Cc1ccc2[nH]ccc2c1)Cc1cccc2c1OCO2 ZINC001205612008 1133595295 /nfs/dbraw/zinc/59/52/95/1133595295.db2.gz HGJLVUDWJSJZEA-UHFFFAOYSA-N 0 1 294.354 3.529 20 0 CHADMN Cc1ccc(F)c(C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)c1 ZINC001205647056 1133598961 /nfs/dbraw/zinc/59/89/61/1133598961.db2.gz COIWTXWDOPNYLI-LJQANCHMSA-N 0 1 298.405 3.623 20 0 CHADMN Cc1ccc(F)c(CN2CCN(C)[C@@H](c3ccccc3)C2)c1 ZINC001205647056 1133598970 /nfs/dbraw/zinc/59/89/70/1133598970.db2.gz COIWTXWDOPNYLI-LJQANCHMSA-N 0 1 298.405 3.623 20 0 CHADMN COC1(c2ccccc2)CN(C[C@@H](C)c2ccccc2)C1 ZINC001205706490 1133605364 /nfs/dbraw/zinc/60/53/64/1133605364.db2.gz KZCRPWWPQQFRTH-MRXNPFEDSA-N 0 1 281.399 3.648 20 0 CHADMN COC(=O)c1cnc([C@H](C)N(C)[C@@H]2CCCC[C@@H]2C)s1 ZINC001205740040 1133608144 /nfs/dbraw/zinc/60/81/44/1133608144.db2.gz CCTPUMJPYTWVRA-SDDRHHMPSA-N 0 1 296.436 3.501 20 0 CHADMN CC(C)Oc1c(F)c(F)ccc1-c1cccc2[nH]nnc21 ZINC001205862083 1133624022 /nfs/dbraw/zinc/62/40/22/1133624022.db2.gz VKZPYZDVZMXXQI-UHFFFAOYSA-N 0 1 289.285 3.690 20 0 CHADMN CC(C)C[C@@]1(C)CCCN1Cc1cc(C(F)(F)F)n[nH]1 ZINC001205908160 1133628675 /nfs/dbraw/zinc/62/86/75/1133628675.db2.gz PCMBVULXIMVOQP-CYBMUJFWSA-N 0 1 289.345 3.829 20 0 CHADMN CSCc1ccc(CN2CCC[C@](C)(F)C2)cc1 ZINC001205960471 1133635123 /nfs/dbraw/zinc/63/51/23/1133635123.db2.gz QWEFBZOYSQVGPP-HNNXBMFYSA-N 0 1 267.413 3.874 20 0 CHADMN CSc1ccc(F)cc1-c1cc2[nH]nnc2cc1F ZINC001205974610 1133636886 /nfs/dbraw/zinc/63/68/86/1133636886.db2.gz GURCUGVAFVERRY-UHFFFAOYSA-N 0 1 277.299 3.625 20 0 CHADMN CCCOc1ccc(-c2nccc(N)c2C)c(F)c1 ZINC001206131829 1133662384 /nfs/dbraw/zinc/66/23/84/1133662384.db2.gz NMHIBIVXZJMTHX-UHFFFAOYSA-N 0 1 260.312 3.567 20 0 CHADMN CN(C)c1ccc(F)cc1CN1CC2(C1)CCCCC2 ZINC001206174006 1133667060 /nfs/dbraw/zinc/66/70/60/1133667060.db2.gz FZBRDUYPYYOXSF-UHFFFAOYSA-N 0 1 276.399 3.658 20 0 CHADMN COCc1cc(C)c(-c2ccc(CN(C)C)cn2)c(C)c1 ZINC001206311866 1133687582 /nfs/dbraw/zinc/68/75/82/1133687582.db2.gz RMADMZPLJPFPTK-UHFFFAOYSA-N 0 1 284.403 3.573 20 0 CHADMN Cc1cc(CN2CC(c3ccccc3)(C(C)C)C2)cnc1F ZINC001206321307 1133689109 /nfs/dbraw/zinc/68/91/09/1133689109.db2.gz RPNGMTPPIVZHOT-UHFFFAOYSA-N 0 1 298.405 3.939 20 0 CHADMN CCCCN(Cc1ccccc1)Cc1ccncc1OC ZINC001206473289 1133706498 /nfs/dbraw/zinc/70/64/98/1133706498.db2.gz HSSQIIUOPGOIKQ-UHFFFAOYSA-N 0 1 284.403 3.893 20 0 CHADMN Cc1cc(-c2cc3n[nH]cc3c(F)c2)cc2nc[nH]c21 ZINC001206572021 1133719093 /nfs/dbraw/zinc/71/90/93/1133719093.db2.gz SDQJWUSMIYWARW-UHFFFAOYSA-N 0 1 266.279 3.554 20 0 CHADMN Cc1nc2ccc(-c3cc4n[nH]cc4c(F)c3)cc2[nH]1 ZINC001206571958 1133719920 /nfs/dbraw/zinc/71/99/20/1133719920.db2.gz PHJMCQYTMYTKIO-UHFFFAOYSA-N 0 1 266.279 3.554 20 0 CHADMN COc1cccnc1CN(Cc1ccccc1)CC(C)C ZINC001206611670 1133727610 /nfs/dbraw/zinc/72/76/10/1133727610.db2.gz ZIVMWRONKVSMHG-UHFFFAOYSA-N 0 1 284.403 3.748 20 0 CHADMN Cc1nc2ccc(F)cc2c(-c2cc(F)c(O)cc2F)n1 ZINC001206755511 1133742070 /nfs/dbraw/zinc/74/20/70/1133742070.db2.gz LFYCWVLPSIICEI-UHFFFAOYSA-N 0 1 290.244 3.728 20 0 CHADMN Oc1cc(F)c(-c2ccc3ccccc3n2)cc1F ZINC001206755046 1133742147 /nfs/dbraw/zinc/74/21/47/1133742147.db2.gz DSEKJWNSANYYHD-UHFFFAOYSA-N 0 1 257.239 3.886 20 0 CHADMN CC(C)Sc1ccc(-c2cc(F)c(O)cc2F)nn1 ZINC001206776019 1133747100 /nfs/dbraw/zinc/74/71/00/1133747100.db2.gz VZOZXLCKJFSLTN-UHFFFAOYSA-N 0 1 282.315 3.628 20 0 CHADMN Cc1nc(-c2cc(F)c(O)cc2F)nc(C)c1CC(C)C ZINC001206776024 1133747307 /nfs/dbraw/zinc/74/73/07/1133747307.db2.gz WNOXHSVQWNFZSO-UHFFFAOYSA-N 0 1 292.329 3.943 20 0 CHADMN F[C@H]1CCCN(Cc2cc(-c3ccccc3)on2)CC1 ZINC001206842984 1133754646 /nfs/dbraw/zinc/75/46/46/1133754646.db2.gz RDRZFFFJGZQZMX-AWEZNQCLSA-N 0 1 274.339 3.666 20 0 CHADMN Fc1cncc(F)c1CN1CC[C@@H](C2CCCCC2)C1 ZINC001206862991 1133757769 /nfs/dbraw/zinc/75/77/69/1133757769.db2.gz TYSVWCFKUUYXDC-CYBMUJFWSA-N 0 1 280.362 3.762 20 0 CHADMN Cc1ncsc1CN1CCC[C@@H]1c1ccccc1F ZINC001206990408 1133759040 /nfs/dbraw/zinc/75/90/40/1133759040.db2.gz SBQUURTYJQTWMI-CQSZACIVSA-N 0 1 276.380 3.928 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2ncccc2F)cc1 ZINC001207032196 1133761697 /nfs/dbraw/zinc/76/16/97/1133761697.db2.gz HUJCOXZTXHVGGK-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Fc1ccc(C[N@@H+](Cc2ccccn2)C2CCCCC2)nc1 ZINC001207040897 1133761893 /nfs/dbraw/zinc/76/18/93/1133761893.db2.gz GNTBBPBKVPNXCK-UHFFFAOYSA-N 0 1 299.393 3.951 20 0 CHADMN Fc1ccc(CN(Cc2ccccn2)C2CCCCC2)nc1 ZINC001207040897 1133761899 /nfs/dbraw/zinc/76/18/99/1133761899.db2.gz GNTBBPBKVPNXCK-UHFFFAOYSA-N 0 1 299.393 3.951 20 0 CHADMN Fc1cnc(CN2CCC[C@H](c3ccccc3)C2)c(F)c1 ZINC001207098642 1133766723 /nfs/dbraw/zinc/76/67/23/1133766723.db2.gz ZNQJBMGXFVVGSP-AWEZNQCLSA-N 0 1 288.341 3.739 20 0 CHADMN CCN(Cc1c(C)noc1C)Cc1ccc(C)c(C)c1 ZINC001207138901 1133771981 /nfs/dbraw/zinc/77/19/81/1133771981.db2.gz FNLLOXYBGBMHMG-UHFFFAOYSA-N 0 1 272.392 3.930 20 0 CHADMN CC1(C)CN(C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CCC1=O ZINC001207194711 1133778707 /nfs/dbraw/zinc/77/87/07/1133778707.db2.gz YUOHWEBWUPSOJL-DZGCQCFKSA-N 0 1 291.822 3.745 20 0 CHADMN C[C@@H]1CCC[C@H](C2CN(Cc3cnc(C4CC4)o3)C2)C1 ZINC001207235454 1133780760 /nfs/dbraw/zinc/78/07/60/1133780760.db2.gz WXVGGVPRQHUWQC-OCCSQVGLSA-N 0 1 274.408 3.810 20 0 CHADMN CC(C)c1nc(CN(C)C[C@H]2CCOC(C)(C)C2)cs1 ZINC001207362442 1133796237 /nfs/dbraw/zinc/79/62/37/1133796237.db2.gz HKJPQIUILFFOMH-ZDUSSCGKSA-N 0 1 296.480 3.904 20 0 CHADMN CC(C)c1nc(CN(C)C[C@@H]2CCOC(C)(C)C2)cs1 ZINC001207362441 1133796297 /nfs/dbraw/zinc/79/62/97/1133796297.db2.gz HKJPQIUILFFOMH-CYBMUJFWSA-N 0 1 296.480 3.904 20 0 CHADMN COc1ccc(CCCN2CCn3cccc3[C@H]2C)cc1 ZINC001207584840 1133822305 /nfs/dbraw/zinc/82/23/05/1133822305.db2.gz KHFBZDJKQMYAEO-OAHLLOKOSA-N 0 1 284.403 3.506 20 0 CHADMN c1ccc2c(c1)oc1c2CCN(CC2CCSCC2)C1 ZINC001207755210 1133845316 /nfs/dbraw/zinc/84/53/16/1133845316.db2.gz ALULXMZCKYKMTM-UHFFFAOYSA-N 0 1 287.428 3.934 20 0 CHADMN C[C@H]1c2cccn2CC[N@@H+]1CC1(c2ccccc2)CC1 ZINC001207839696 1133853623 /nfs/dbraw/zinc/85/36/23/1133853623.db2.gz UXHSEKDUESOMNJ-HNNXBMFYSA-N 0 1 266.388 3.597 20 0 CHADMN CCOC(=O)CN(C[C@H](C)c1ccccc1)C1CCCC1 ZINC001207913749 1133861068 /nfs/dbraw/zinc/86/10/68/1133861068.db2.gz OAKTWAHIJSAQOX-HNNXBMFYSA-N 0 1 289.419 3.598 20 0 CHADMN CC(C)c1ccc(C[C@H](C)CN2CCC(=O)CC2)cc1 ZINC001207931620 1133864620 /nfs/dbraw/zinc/86/46/20/1133864620.db2.gz IIWQCLZSHOJERM-HNNXBMFYSA-N 0 1 273.420 3.654 20 0 CHADMN CC1(CN2CCc3c4ccccc4oc3C2)CCOCC1 ZINC001208076655 1133873495 /nfs/dbraw/zinc/87/34/95/1133873495.db2.gz MBNKFGUGRDPYPJ-UHFFFAOYSA-N 0 1 285.387 3.608 20 0 CHADMN CC(C)(C)CC(=O)N1CCN(CCCC2CCCC2)CC1 ZINC001208093800 1133877824 /nfs/dbraw/zinc/87/78/24/1133877824.db2.gz AXIXCSREAGCQDX-UHFFFAOYSA-N 0 1 294.483 3.537 20 0 CHADMN Cc1nc([C@@H]2CCCCN2C[C@@H]2CCC(C)=C[C@@H]2C)no1 ZINC001208172015 1133896081 /nfs/dbraw/zinc/89/60/81/1133896081.db2.gz AZRXTNQVBVSHAJ-BPUTZDHNSA-N 0 1 289.423 3.897 20 0 CHADMN Fc1cccc(CCN2CCc3ccc(F)cc3C2)c1 ZINC001208199594 1133906497 /nfs/dbraw/zinc/90/64/97/1133906497.db2.gz UJFASQLOLHRRDG-UHFFFAOYSA-N 0 1 273.326 3.566 20 0 CHADMN CCCOC1CN(CC[C@H](C)CCCC(C)(C)OC)C1 ZINC001208205005 1133907822 /nfs/dbraw/zinc/90/78/22/1133907822.db2.gz FTWXKEMSBUFYGR-OAHLLOKOSA-N 0 1 285.472 3.719 20 0 CHADMN Brc1ccc2c(c1)CN(CCC1CC1)CC2 ZINC001208684423 1133927334 /nfs/dbraw/zinc/92/73/34/1133927334.db2.gz AHPZHMXXZDQIHY-UHFFFAOYSA-N 0 1 280.209 3.607 20 0 CHADMN COC(=O)[C@H]1CCCN1C[C@@H](C)c1cccc2ccccc21 ZINC001208706156 1133932496 /nfs/dbraw/zinc/93/24/96/1133932496.db2.gz MNRIOGBYVZZTHN-RDTXWAMCSA-N 0 1 297.398 3.581 20 0 CHADMN O=C1CCN(CCCc2ccc(F)cc2)[C@@H]2CCCC[C@H]12 ZINC001208767954 1133940984 /nfs/dbraw/zinc/94/09/84/1133940984.db2.gz ORWJUXGXLSXKQH-DLBZAZTESA-N 0 1 289.394 3.592 20 0 CHADMN FC(F)C1CN(CCCc2ccccc2C(F)(F)F)C1 ZINC001208835043 1133950357 /nfs/dbraw/zinc/95/03/57/1133950357.db2.gz QOEKYIFMKJKCDR-UHFFFAOYSA-N 0 1 293.279 3.835 20 0 CHADMN Fc1cccc(F)c1[C@@H]1CCCN1C[C@H]1CCC=CO1 ZINC001208883371 1133958471 /nfs/dbraw/zinc/95/84/71/1133958471.db2.gz VDGHVWPANUGCKY-DOMZBBRYSA-N 0 1 279.330 3.794 20 0 CHADMN Clc1cccc(Cl)c1CCN1CCn2cccc2C1 ZINC001209110759 1133975704 /nfs/dbraw/zinc/97/57/04/1133975704.db2.gz CBEFNLWLHXUEFZ-UHFFFAOYSA-N 0 1 295.213 3.853 20 0 CHADMN CC[C@@H]1CCC[N@@H+](CCc2cc(F)c(F)cc2F)C1 ZINC001209252812 1133995465 /nfs/dbraw/zinc/99/54/65/1133995465.db2.gz OFEMQRHUOLSJHR-LLVKDONJSA-N 0 1 271.326 3.768 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@H+](CCc2cc(F)c(F)cc2F)C1 ZINC001209253374 1133996916 /nfs/dbraw/zinc/99/69/16/1133996916.db2.gz UAZWUNOVFVJZJR-PHIMTYICSA-N 0 1 271.326 3.624 20 0 CHADMN c1cc2ccc(CN3CCOc4ccccc4C3)cc2[nH]1 ZINC001209512699 1134032008 /nfs/dbraw/zinc/03/20/08/1134032008.db2.gz NWTNCAYRSPQMLU-UHFFFAOYSA-N 0 1 278.355 3.563 20 0 CHADMN C[Si](C)(C)CN(Cc1ccon1)Cc1ccccc1 ZINC001209564687 1134036348 /nfs/dbraw/zinc/03/63/48/1134036348.db2.gz CCEZUKUJZIAQGO-UHFFFAOYSA-N 0 1 274.440 3.554 20 0 CHADMN CCN(Cc1c(C)nc2ccccn21)Cc1ccc(F)cc1 ZINC001209649253 1134046919 /nfs/dbraw/zinc/04/69/19/1134046919.db2.gz GWYNEGISOULZTB-UHFFFAOYSA-N 0 1 297.377 3.804 20 0 CHADMN COc1cc(CN2C[C@H](C)C[C@H](C)C2)c(F)cc1Cl ZINC001209666532 1134049199 /nfs/dbraw/zinc/04/91/99/1134049199.db2.gz ORPSVZCFOZDKRB-PHIMTYICSA-N 0 1 285.790 3.966 20 0 CHADMN CC[C@@H]1CCN(Cc2ccc(Cl)c(OC)c2F)C1 ZINC001209703609 1134051282 /nfs/dbraw/zinc/05/12/82/1134051282.db2.gz OEUBTURZBDRGKY-SNVBAGLBSA-N 0 1 271.763 3.720 20 0 CHADMN CC[C@H]1CCC[N@H+]1Cc1ccc(Cl)c(OC)c1F ZINC001209698201 1134052140 /nfs/dbraw/zinc/05/21/40/1134052140.db2.gz AZKYHPQUAYMIRS-NSHDSACASA-N 0 1 271.763 3.862 20 0 CHADMN CC[C@H]1CCCN1Cc1ccc(Cl)c(OC)c1F ZINC001209698201 1134052147 /nfs/dbraw/zinc/05/21/47/1134052147.db2.gz AZKYHPQUAYMIRS-NSHDSACASA-N 0 1 271.763 3.862 20 0 CHADMN Clc1ccc2[nH]c(C[N@H+]3CCC4(CC4)C3)cc2c1 ZINC001209719774 1134054300 /nfs/dbraw/zinc/05/43/00/1134054300.db2.gz BECZKSORUCZPPL-UHFFFAOYSA-N 0 1 260.768 3.807 20 0 CHADMN Cc1cccc2c1CN(Cc1c[nH]nc1-c1ccccc1)C2 ZINC001209759248 1134061689 /nfs/dbraw/zinc/06/16/89/1134061689.db2.gz VBPYYSQRWZESEV-UHFFFAOYSA-N 0 1 289.382 3.901 20 0 CHADMN CCNc1ccnc(Cl)c1Nc1ccc2nc[nH]c2c1 ZINC001209843887 1134078664 /nfs/dbraw/zinc/07/86/64/1134078664.db2.gz IWCXNHUFXBDYHS-UHFFFAOYSA-N 0 1 287.754 3.787 20 0 CHADMN CC(C)c1ccc(Nc2ccc3nc[nH]c3c2)cn1 ZINC001209842238 1134078898 /nfs/dbraw/zinc/07/88/98/1134078898.db2.gz GDCRCZDDSIZPMG-UHFFFAOYSA-N 0 1 252.321 3.825 20 0 CHADMN Cc1ccnc(Cl)c1Nc1ccc2nc[nH]c2c1 ZINC001209842549 1134079096 /nfs/dbraw/zinc/07/90/96/1134079096.db2.gz MNEFPCDGPBGUMF-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Oc1ccc(Nc2ccc3nc[nH]c3c2)cc1Cl ZINC001209848035 1134080481 /nfs/dbraw/zinc/08/04/81/1134080481.db2.gz YVNDTLWYOKKPDS-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN CC(C)OC(=O)c1ccc(Nc2ccc3nc[nH]c3c2)cc1 ZINC001209847341 1134080813 /nfs/dbraw/zinc/08/08/13/1134080813.db2.gz PJAMZXOJQUYSLF-UHFFFAOYSA-N 0 1 295.342 3.872 20 0 CHADMN COc1ccc(Nc2ccc3nc[nH]c3c2)cc1Cl ZINC001209847113 1134081130 /nfs/dbraw/zinc/08/11/30/1134081130.db2.gz ORFLNLLSPPONGZ-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN CCC(=O)Nc1cccc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209846995 1134081171 /nfs/dbraw/zinc/08/11/71/1134081171.db2.gz LARXFIKIKWFXEM-UHFFFAOYSA-N 0 1 280.331 3.655 20 0 CHADMN c1nc2ccc(Nc3cccnc3-c3ccccn3)cc2[nH]1 ZINC001209847281 1134082087 /nfs/dbraw/zinc/08/20/87/1134082087.db2.gz AVPDKLTUGYRGNF-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1nc2ccc(Nc3cccc(-c4cnco4)c3)cc2[nH]1 ZINC001209847829 1134082425 /nfs/dbraw/zinc/08/24/25/1134082425.db2.gz WIAKORUKGYJOGD-UHFFFAOYSA-N 0 1 276.299 3.962 20 0 CHADMN c1nc2ccc(Nc3scnc3C3CC3)cc2[nH]1 ZINC001209848539 1134082923 /nfs/dbraw/zinc/08/29/23/1134082923.db2.gz NSTSKBNSMUXGEQ-UHFFFAOYSA-N 0 1 256.334 3.640 20 0 CHADMN CC(C)c1cncc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209848883 1134083362 /nfs/dbraw/zinc/08/33/62/1134083362.db2.gz TVFUKWKXNSLAGD-UHFFFAOYSA-N 0 1 252.321 3.825 20 0 CHADMN CCOc1ccc(Nc2ccc3nc[nH]c3c2)c(F)c1 ZINC001209848571 1134083610 /nfs/dbraw/zinc/08/36/10/1134083610.db2.gz KTUKNPHMGHXGTD-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN c1nc2ccc(Nc3cccc(C4CC4)n3)cc2[nH]1 ZINC001209848503 1134084788 /nfs/dbraw/zinc/08/47/88/1134084788.db2.gz PAKJKVOSEPHFCI-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN Nc1cc(Cl)c(Cl)nc1Nc1ccc2nc[nH]c2c1 ZINC001209848750 1134084912 /nfs/dbraw/zinc/08/49/12/1134084912.db2.gz RBFCWUQJODEFGT-UHFFFAOYSA-N 0 1 294.145 3.591 20 0 CHADMN c1nc2ccc(Nc3ccc(C4CCC4)nc3)cc2[nH]1 ZINC001209848849 1134085117 /nfs/dbraw/zinc/08/51/17/1134085117.db2.gz SDDGTEVNMBEIRW-UHFFFAOYSA-N 0 1 264.332 3.969 20 0 CHADMN COc1cc(Cl)cc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209848588 1134085444 /nfs/dbraw/zinc/08/54/44/1134085444.db2.gz LNOHAPKGOPMMFI-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN COC(=O)[C@H](C)c1ccc(Nc2ccc3nc[nH]c3c2)cc1 ZINC001209852222 1134085776 /nfs/dbraw/zinc/08/57/76/1134085776.db2.gz XUWLXAUHDPTIHP-LLVKDONJSA-N 0 1 295.342 3.583 20 0 CHADMN CCOc1ccc(Nc2ccc3nc[nH]c3c2)cc1F ZINC001209852022 1134086055 /nfs/dbraw/zinc/08/60/55/1134086055.db2.gz RQGQREVXWGPBKL-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN COC(=O)c1cc(C)c(C)c(Nc2ccc3nc[nH]c3c2)c1 ZINC001209851571 1134086193 /nfs/dbraw/zinc/08/61/93/1134086193.db2.gz WAUANPWOOIYOPE-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN CCc1cccc(O)c1Nc1ccc2nc[nH]c2c1 ZINC001209851338 1134086732 /nfs/dbraw/zinc/08/67/32/1134086732.db2.gz SCESRHZFTJHFSG-UHFFFAOYSA-N 0 1 253.305 3.575 20 0 CHADMN COc1cc(Nc2ccc3[nH]c[nH+]c3c2)ccc1[S-] ZINC001209852050 1134086782 /nfs/dbraw/zinc/08/67/82/1134086782.db2.gz SSJNJESUMINJMS-UHFFFAOYSA-N 0 1 271.345 3.604 20 0 CHADMN C=Cc1ccccc1Nc1ccnn1-c1ccncc1 ZINC001209944188 1134105973 /nfs/dbraw/zinc/10/59/73/1134105973.db2.gz ZPSMNVSXPUFWFM-UHFFFAOYSA-N 0 1 262.316 3.654 20 0 CHADMN Cc1ccc2sc(Nc3cnc(N)cc3C)nc2c1 ZINC001209962707 1134110872 /nfs/dbraw/zinc/11/08/72/1134110872.db2.gz YUKUNFHAPBYIGA-UHFFFAOYSA-N 0 1 270.361 3.634 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc(-c2cccnc2)c1 ZINC001209965869 1134111676 /nfs/dbraw/zinc/11/16/76/1134111676.db2.gz JBWGWSXITXPTCX-UHFFFAOYSA-N 0 1 276.343 3.778 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc2ncc(Cl)cc2c1 ZINC001209970848 1134112379 /nfs/dbraw/zinc/11/23/79/1134112379.db2.gz GLZXFXYBCNQIBY-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc2c1CCCCC2=O ZINC001209969751 1134112384 /nfs/dbraw/zinc/11/23/84/1134112384.db2.gz PKGCICAZOBEWIY-UHFFFAOYSA-N 0 1 281.359 3.625 20 0 CHADMN COc1cccc(Nc2cnc(N)cc2C)c1C(F)(F)F ZINC001209970629 1134112665 /nfs/dbraw/zinc/11/26/65/1134112665.db2.gz ZVHYMRWJPAXCQZ-UHFFFAOYSA-N 0 1 297.280 3.743 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc(OC(C)(C)C)c1 ZINC001209973435 1134113837 /nfs/dbraw/zinc/11/38/37/1134113837.db2.gz ZODKKVHXLREUAB-UHFFFAOYSA-N 0 1 271.364 3.893 20 0 CHADMN FC(F)(F)c1cnc(NC2=CCC(F)(F)CC2)nc1 ZINC001210028002 1134126321 /nfs/dbraw/zinc/12/63/21/1134126321.db2.gz PYQFWSUDAJUZFW-UHFFFAOYSA-N 0 1 279.212 3.610 20 0 CHADMN O=C([O-])Cc1cccc(Nc2ccc3c[nH+]ccc3c2)c1 ZINC001210072560 1134141533 /nfs/dbraw/zinc/14/15/33/1134141533.db2.gz PDBQPIRIVTWFNL-UHFFFAOYSA-N 0 1 278.311 3.606 20 0 CHADMN COc1cccc(Nc2cc3cn[nH]c3cc2C)c1C ZINC001210101192 1134145322 /nfs/dbraw/zinc/14/53/22/1134145322.db2.gz BCZQRDPWUSJOLD-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(C(C)C)no1 ZINC001210100079 1134145571 /nfs/dbraw/zinc/14/55/71/1134145571.db2.gz BKGLSBBTGNNHNC-UHFFFAOYSA-N 0 1 256.309 3.726 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1nc2c(s1)CCC2 ZINC001210100267 1134146020 /nfs/dbraw/zinc/14/60/20/1134146020.db2.gz KHXJPPVAYFCHJW-UHFFFAOYSA-N 0 1 270.361 3.560 20 0 CHADMN COc1cc(C)c(Nc2cc3cn[nH]c3cc2C)cc1OC ZINC001210102957 1134146794 /nfs/dbraw/zinc/14/67/94/1134146794.db2.gz RMQFPBGQRMUBSF-UHFFFAOYSA-N 0 1 297.358 3.941 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc(F)c1F ZINC001210103232 1134146836 /nfs/dbraw/zinc/14/68/36/1134146836.db2.gz WMCBDTTWVOWYFA-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1nc(Cl)cnc1Cl ZINC001210102130 1134147023 /nfs/dbraw/zinc/14/70/23/1134147023.db2.gz LQXLXZVDBLLIAR-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN CCOC(=O)c1cccc(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210105303 1134148097 /nfs/dbraw/zinc/14/80/97/1134148097.db2.gz VNIMAGXXGNKAAR-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN Cc1cc(O)cc(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210104696 1134148207 /nfs/dbraw/zinc/14/82/07/1134148207.db2.gz BEQOOFGRMUHIBE-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1c2ccc(Nc3cc4cn[nH]c4cc3C)cc2nn1C ZINC001210103686 1134148243 /nfs/dbraw/zinc/14/82/43/1134148243.db2.gz ZJTRTBVOIJFTMW-UHFFFAOYSA-N 0 1 291.358 3.810 20 0 CHADMN Cc1ccc(O)c(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210105136 1134148384 /nfs/dbraw/zinc/14/83/84/1134148384.db2.gz MOPROPWTHXTGTA-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2c1CCCO2 ZINC001210105698 1134149100 /nfs/dbraw/zinc/14/91/00/1134149100.db2.gz HGUNWDSRAACGRK-UHFFFAOYSA-N 0 1 279.343 3.940 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1cc(Cl)c(F)cc1F ZINC001210109954 1134150528 /nfs/dbraw/zinc/15/05/28/1134150528.db2.gz KINGWYMXBXSIEE-UHFFFAOYSA-N 0 1 293.704 3.848 20 0 CHADMN Cc1ccc2nc(N)n(C3=CCC(C)(C)CC3)c2c1 ZINC001210167189 1134159163 /nfs/dbraw/zinc/15/91/63/1134159163.db2.gz KMEAMPXHEZOORD-UHFFFAOYSA-N 0 1 255.365 3.978 20 0 CHADMN c1coc(-c2nnc(Nc3cccc4ccncc43)o2)c1 ZINC001210222317 1134170260 /nfs/dbraw/zinc/17/02/60/1134170260.db2.gz AQZDANJBGWWLTP-UHFFFAOYSA-N 0 1 278.271 3.621 20 0 CHADMN CS(=O)(=O)c1ccc(F)c(NC2=CCCCCCC2)c1 ZINC001210448849 1134215919 /nfs/dbraw/zinc/21/59/19/1134215919.db2.gz WAZZCSMJAQMUGX-UHFFFAOYSA-N 0 1 297.395 3.879 20 0 CHADMN Oc1c(Cl)cc(Nc2cccnc2F)cc1Cl ZINC001210924295 1134329618 /nfs/dbraw/zinc/32/96/18/1134329618.db2.gz HWQCWMVBGBABCK-UHFFFAOYSA-N 0 1 273.094 3.977 20 0 CHADMN Cc1cccc2ncc(Nc3ccc4c(c3)C(=O)CCC4)n21 ZINC001210932150 1134330933 /nfs/dbraw/zinc/33/09/33/1134330933.db2.gz AVAPYWQYOGGFBO-UHFFFAOYSA-N 0 1 291.354 3.905 20 0 CHADMN C=C(Nc1cccc(F)c1OC1COC1)c1ccccc1 ZINC001210990502 1134345858 /nfs/dbraw/zinc/34/58/58/1134345858.db2.gz GMUSPAYTOMPYNP-UHFFFAOYSA-N 0 1 285.318 3.686 20 0 CHADMN CSc1ccc(-n2c(N)nc3c2cccc3C)cc1F ZINC001211108543 1134370860 /nfs/dbraw/zinc/37/08/60/1134370860.db2.gz KYLGGKMGOBBJPR-UHFFFAOYSA-N 0 1 287.363 3.777 20 0 CHADMN Oc1cc(Nc2ccncc2Oc2ccccc2)ccc1F ZINC001211214356 1134392509 /nfs/dbraw/zinc/39/25/09/1134392509.db2.gz QYSSKYMSJXTAFT-UHFFFAOYSA-N 0 1 296.301 3.884 20 0 CHADMN Cn1cncc1Nc1cnc2cc(C(F)(F)F)ccc2c1 ZINC001211247307 1134399046 /nfs/dbraw/zinc/39/90/46/1134399046.db2.gz UDZLZTPWXFQQDP-UHFFFAOYSA-N 0 1 292.264 3.731 20 0 CHADMN Cn1cncc1Nc1cc(Cl)cc(Br)c1 ZINC001211249072 1134399199 /nfs/dbraw/zinc/39/91/99/1134399199.db2.gz HNNFOCFBCVWIDE-UHFFFAOYSA-N 0 1 286.560 3.580 20 0 CHADMN COc1cnccc1Nc1ccc(-c2ccsc2)cc1 ZINC001211264687 1134400139 /nfs/dbraw/zinc/40/01/39/1134400139.db2.gz IOCHXRVUCWJOMT-UHFFFAOYSA-N 0 1 282.368 3.984 20 0 CHADMN CCc1c(Cl)cc(Nc2cncn2C)c(O)c1Cl ZINC001211251483 1134400159 /nfs/dbraw/zinc/40/01/59/1134400159.db2.gz HGAWQSNCANNUHQ-UHFFFAOYSA-N 0 1 286.162 3.739 20 0 CHADMN Cn1cncc1Nc1c(F)cc(Cl)cc1Cl ZINC001211252325 1134400245 /nfs/dbraw/zinc/40/02/45/1134400245.db2.gz JZZFELJMODGMCI-UHFFFAOYSA-N 0 1 260.099 3.610 20 0 CHADMN Cc1cc(Nc2cncn2C)c(Cl)cc1Cl ZINC001211250589 1134400279 /nfs/dbraw/zinc/40/02/79/1134400279.db2.gz MXRPANKYQASYSS-UHFFFAOYSA-N 0 1 256.136 3.779 20 0 CHADMN Cn1cncc1Nc1cccc(-c2cccc(F)c2)c1 ZINC001211251385 1134400399 /nfs/dbraw/zinc/40/03/99/1134400399.db2.gz ZEJYKNBSXPDRTN-UHFFFAOYSA-N 0 1 267.307 3.970 20 0 CHADMN C[N@H+]1CCc2ccc(Nc3cc4ccccc4[nH]3)cc2C1 ZINC001211309735 1134408215 /nfs/dbraw/zinc/40/82/15/1134408215.db2.gz MKWXKOQGPHELDE-UHFFFAOYSA-N 0 1 277.371 3.899 20 0 CHADMN CCOc1cccc(F)c1-c1cc(F)c(O)cc1F ZINC001211353048 1134411133 /nfs/dbraw/zinc/41/11/33/1134411133.db2.gz RNDQLXPAXNQQHO-UHFFFAOYSA-N 0 1 268.234 3.875 20 0 CHADMN Oc1cc(F)c(-c2c(F)ccc(F)c2F)cc1F ZINC001211350885 1134411456 /nfs/dbraw/zinc/41/14/56/1134411456.db2.gz WYQPRWOWZBALOR-UHFFFAOYSA-N 0 1 260.161 3.755 20 0 CHADMN CC(C)(C)Oc1ccc(-c2cc(F)c(O)cc2F)nc1 ZINC001211359238 1134412190 /nfs/dbraw/zinc/41/21/90/1134412190.db2.gz FZUWVHXJTALYRH-UHFFFAOYSA-N 0 1 279.286 3.910 20 0 CHADMN Cc1nc2cc(Nc3cnn(C(C)(C)C)c3)ccc2[nH]1 ZINC001213070322 1134419132 /nfs/dbraw/zinc/41/91/32/1134419132.db2.gz KMJIGRUELCHLLA-UHFFFAOYSA-N 0 1 269.352 3.566 20 0 CHADMN Cc1nc2ccc(Nc3cnn(C(C)(C)C)c3)cc2[nH]1 ZINC001213070322 1134419134 /nfs/dbraw/zinc/41/91/34/1134419134.db2.gz KMJIGRUELCHLLA-UHFFFAOYSA-N 0 1 269.352 3.566 20 0 CHADMN CSc1cc(Nc2ccc3[nH]c(C)nc3c2)ccn1 ZINC001213073070 1134420375 /nfs/dbraw/zinc/42/03/75/1134420375.db2.gz CCLCROBYYJHIPO-UHFFFAOYSA-N 0 1 270.361 3.732 20 0 CHADMN COc1ccc(C)c(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213073071 1134420761 /nfs/dbraw/zinc/42/07/61/1134420761.db2.gz CEBGIWHQXOFZIQ-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1nc2cc(Nc3cccc(C4OCCO4)c3)ccc2[nH]1 ZINC001213074518 1134420808 /nfs/dbraw/zinc/42/08/08/1134420808.db2.gz YRSKHONCJZEKFH-UHFFFAOYSA-N 0 1 295.342 3.660 20 0 CHADMN Cc1nc2cc(Nc3c(N)ccc(C)c3C)ccc2[nH]1 ZINC001213074067 1134420847 /nfs/dbraw/zinc/42/08/47/1134420847.db2.gz BBVYZSYXSIAEOP-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN Cc1cc(Nc2ccc3nc(C)[nH]c3c2)n(CC2CCC2)n1 ZINC001213072391 1134420953 /nfs/dbraw/zinc/42/09/53/1134420953.db2.gz RAJIBSAZIJWPEL-UHFFFAOYSA-N 0 1 295.390 3.920 20 0 CHADMN COCCOc1ccc(Nc2ccc3[nH]c(C)nc3c2)cc1 ZINC001213073885 1134421682 /nfs/dbraw/zinc/42/16/82/1134421682.db2.gz YUSVNXGFKLSACJ-UHFFFAOYSA-N 0 1 297.358 3.640 20 0 CHADMN Cc1nc2cc(Nc3cccc(N(C)C)c3)ccc2[nH]1 ZINC001213075102 1134422043 /nfs/dbraw/zinc/42/20/43/1134422043.db2.gz DEQIEYQURKTJMX-UHFFFAOYSA-N 0 1 266.348 3.681 20 0 CHADMN Cc1nc2cc(Nc3cccc4c3OCCC4)ccc2[nH]1 ZINC001213075348 1134423451 /nfs/dbraw/zinc/42/34/51/1134423451.db2.gz PMDRZOUEXPWSCW-UHFFFAOYSA-N 0 1 279.343 3.940 20 0 CHADMN Cc1nc2cc(Nc3cc(N)ccc3C)ccc2[nH]1 ZINC001213075619 1134423535 /nfs/dbraw/zinc/42/35/35/1134423535.db2.gz XIJBOBDFXSDQPY-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN CC(=O)Oc1ccc(Nc2ccc3[nH]c(C)nc3c2)cc1 ZINC001213076424 1134423644 /nfs/dbraw/zinc/42/36/44/1134423644.db2.gz QTTHGRJZQNOKQG-UHFFFAOYSA-N 0 1 281.315 3.540 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccc(F)c(Cl)c1F ZINC001213198448 1134435071 /nfs/dbraw/zinc/43/50/71/1134435071.db2.gz FORXWOQMIUWMGU-UHFFFAOYSA-N 0 1 293.704 3.848 20 0 CHADMN Nc1nc2ccccc2n1-c1ccc(F)c(Cl)c1F ZINC001213198493 1134435318 /nfs/dbraw/zinc/43/53/18/1134435318.db2.gz HULREOWMIINOOV-UHFFFAOYSA-N 0 1 279.677 3.539 20 0 CHADMN Clc1cc(-c2nc(-c3cccc4occc43)no2)n[nH]1 ZINC001213500592 1134456998 /nfs/dbraw/zinc/45/69/98/1134456998.db2.gz KMVDXNLDZDQWOD-UHFFFAOYSA-N 0 1 286.678 3.526 20 0 CHADMN c1cc(CNCc2cnc3ccccc3c2)cs1 ZINC000301219642 1134461309 /nfs/dbraw/zinc/46/13/09/1134461309.db2.gz MRTWGGXKBOZWHV-UHFFFAOYSA-N 0 1 254.358 3.586 20 0 CHADMN COc1cc(Nc2ccc3c[nH+]ccc3c2)cc(C(=O)[O-])c1 ZINC001213591386 1134466411 /nfs/dbraw/zinc/46/64/11/1134466411.db2.gz ZFJICKLGBOMYCT-UHFFFAOYSA-N 0 1 294.310 3.685 20 0 CHADMN CCc1ccc(C)[nH+]c1Nc1ccc(CCC(=O)[O-])cc1 ZINC001213619805 1134469955 /nfs/dbraw/zinc/46/99/55/1134469955.db2.gz ZBFKLMPCUVMERW-UHFFFAOYSA-N 0 1 284.359 3.713 20 0 CHADMN Cc1cc([C@H]2CCCCN2C(=O)O[C@@H](C)CC(C)C)n[nH]1 ZINC001213854416 1134490877 /nfs/dbraw/zinc/49/08/77/1134490877.db2.gz ULPDFDQBHNGFAO-DZGCQCFKSA-N 0 1 293.411 3.816 20 0 CHADMN OCc1cc(Nc2ccc(C3CC3)cc2Cl)ccn1 ZINC001213857964 1134491507 /nfs/dbraw/zinc/49/15/07/1134491507.db2.gz JOEXWNDEIWOVNC-UHFFFAOYSA-N 0 1 274.751 3.848 20 0 CHADMN COc1cc(F)c(Nc2nnc(C(C)(C)C)o2)cc1Cl ZINC001214058324 1134506999 /nfs/dbraw/zinc/50/69/99/1134506999.db2.gz PQVJXDCOXBOWTD-UHFFFAOYSA-N 0 1 299.733 3.912 20 0 CHADMN CCOc1ccc(C(=O)[O-])cc1Nc1c(C)cc[nH+]c1C ZINC001214268634 1134525473 /nfs/dbraw/zinc/52/54/73/1134525473.db2.gz NKHWSHKXZZGOAB-UHFFFAOYSA-N 0 1 286.331 3.539 20 0 CHADMN Cc1nonc1Nc1c(Cl)cc(C)cc1Cl ZINC001214496540 1134545749 /nfs/dbraw/zinc/54/57/49/1134545749.db2.gz WAKJSGKQEGFSQJ-UHFFFAOYSA-N 0 1 258.108 3.737 20 0 CHADMN [O-]c1c(Cl)ccc(Nc2c[nH+]c3ccccn23)c1F ZINC001214793558 1134572963 /nfs/dbraw/zinc/57/29/63/1134572963.db2.gz GGXGBNJDWXDNTF-UHFFFAOYSA-N 0 1 277.686 3.576 20 0 CHADMN Oc1c(Cl)ccc(Nc2cccnc2Cl)c1F ZINC001214791310 1134573462 /nfs/dbraw/zinc/57/34/62/1134573462.db2.gz QDIMCFRZXNSBOG-UHFFFAOYSA-N 0 1 273.094 3.977 20 0 CHADMN CCOc1ncccc1Nc1ccc(Cl)c(O)c1F ZINC001214796307 1134573885 /nfs/dbraw/zinc/57/38/85/1134573885.db2.gz NYPZJONLAKEUAJ-UHFFFAOYSA-N 0 1 282.702 3.722 20 0 CHADMN Cc1cc(Nc2ccc(Cl)c(O)c2F)n(CC2CC2)n1 ZINC001214798070 1134574355 /nfs/dbraw/zinc/57/43/55/1134574355.db2.gz KXSHNKONRBESCG-UHFFFAOYSA-N 0 1 295.745 3.843 20 0 CHADMN Nc1cccc2c1ccn2-c1ccc(Cl)c(O)c1F ZINC001214802092 1134575193 /nfs/dbraw/zinc/57/51/93/1134575193.db2.gz VLYMGUVYJOCXNO-UHFFFAOYSA-N 0 1 276.698 3.711 20 0 CHADMN CN(C)c1ccccc1Nc1ccc(Cl)c(O)c1F ZINC001214798931 1134575354 /nfs/dbraw/zinc/57/53/54/1134575354.db2.gz BZCLOSXOUSYJDB-UHFFFAOYSA-N 0 1 280.730 3.994 20 0 CHADMN Nc1ccccc1C(=S)Nc1ccc(Cl)c(O)c1F ZINC001214803786 1134575424 /nfs/dbraw/zinc/57/54/24/1134575424.db2.gz GRPOGBUCAXTZHK-UHFFFAOYSA-N 0 1 296.754 3.555 20 0 CHADMN COC(=O)c1ccc(Nc2ccc(Cl)c(O)c2F)cc1 ZINC001214799139 1134575549 /nfs/dbraw/zinc/57/55/49/1134575549.db2.gz NQABTKUXGXYQKZ-UHFFFAOYSA-N 0 1 295.697 3.715 20 0 CHADMN Nc1cccc(C(=S)Nc2ccc(Cl)c(O)c2F)c1 ZINC001214804345 1134576259 /nfs/dbraw/zinc/57/62/59/1134576259.db2.gz QEAVYUCBRQXUCN-UHFFFAOYSA-N 0 1 296.754 3.555 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@@H]1CCCc2n[nH]cc21 ZINC000401634817 1134618350 /nfs/dbraw/zinc/61/83/50/1134618350.db2.gz DFRWSUGUYSEMHQ-GDBMZVCRSA-N 0 1 299.418 3.992 20 0 CHADMN Cc1cc(CNCc2ccc(F)c(F)c2)cc(Cl)n1 ZINC000401914988 1134625735 /nfs/dbraw/zinc/62/57/35/1134625735.db2.gz INGKGBKJBOXKNE-UHFFFAOYSA-N 0 1 282.721 3.611 20 0 CHADMN CSc1ccc(-n2c(N)nc3c2cccc3C)c(C)c1 ZINC001215473059 1134631010 /nfs/dbraw/zinc/63/10/10/1134631010.db2.gz AOTRXRYLXUANIN-UHFFFAOYSA-N 0 1 283.400 3.946 20 0 CHADMN Fc1cc(Nc2ccnn2-c2ccccc2)cc2[nH]ncc21 ZINC001215553983 1134639374 /nfs/dbraw/zinc/63/93/74/1134639374.db2.gz QSYPVHBMCFADBS-UHFFFAOYSA-N 0 1 293.305 3.631 20 0 CHADMN COc1cccc(C)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555280 1134641138 /nfs/dbraw/zinc/64/11/38/1134641138.db2.gz SRTOVZRSBGOBGA-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN CCn1ncc2cc(Nc3cc4[nH]ncc4c(F)c3)ccc21 ZINC001215558366 1134642014 /nfs/dbraw/zinc/64/20/14/1134642014.db2.gz PWUZVUZFRVRLFB-UHFFFAOYSA-N 0 1 295.321 3.815 20 0 CHADMN COc1c(F)cc(F)cc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215557248 1134642058 /nfs/dbraw/zinc/64/20/58/1134642058.db2.gz XZCSPGLJTSJPQN-UHFFFAOYSA-N 0 1 293.248 3.732 20 0 CHADMN CC1(c2ccc(Nc3cc4[nH]ncc4c(F)c3)cc2)COC1 ZINC001215558524 1134642476 /nfs/dbraw/zinc/64/24/76/1134642476.db2.gz AICQZCNKASMGLH-UHFFFAOYSA-N 0 1 297.333 3.734 20 0 CHADMN CC(C)N(C(=O)c1ccc(Nc2ccncc2)cc1)C(C)C ZINC001215654936 1134658179 /nfs/dbraw/zinc/65/81/79/1134658179.db2.gz CMZSWJOLANVLRD-UHFFFAOYSA-N 0 1 297.402 3.506 20 0 CHADMN Cc1cnc(Nc2cccc(CN3CCCCC3)c2F)o1 ZINC001215676485 1134659121 /nfs/dbraw/zinc/65/91/21/1134659121.db2.gz XVKZJTFUPAGLON-UHFFFAOYSA-N 0 1 289.354 3.852 20 0 CHADMN Cc1ccc(Nc2ccc(C)c3[nH]ncc32)c(C)n1 ZINC001215754580 1134673738 /nfs/dbraw/zinc/67/37/38/1134673738.db2.gz XVBDDOPKUDLRTL-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN Cc1ccc(Nc2cncc(C3CC3)c2)c2cn[nH]c21 ZINC001215755786 1134674604 /nfs/dbraw/zinc/67/46/04/1134674604.db2.gz BOSGUGYOGMBCOJ-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1ccc(Nc2cc(-c3ccncc3)no2)c2cn[nH]c21 ZINC001215755294 1134675297 /nfs/dbraw/zinc/67/52/97/1134675297.db2.gz NMOGYSWZOWKUMR-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN CC(=O)N(C)c1ccc(Nc2ccc(C)c3[nH]ncc32)cc1 ZINC001215758181 1134676055 /nfs/dbraw/zinc/67/60/55/1134676055.db2.gz IRJAZECAETYIFL-UHFFFAOYSA-N 0 1 294.358 3.598 20 0 CHADMN COc1ccc(Nc2ccc(C)c3[nH]ncc32)cc1OC ZINC001215758170 1134676518 /nfs/dbraw/zinc/67/65/18/1134676518.db2.gz IDIMXFJVGKFPER-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN Cc1ccc(Nc2cc(O)c(C)cc2F)c2cn[nH]c21 ZINC001215759733 1134677223 /nfs/dbraw/zinc/67/72/23/1134677223.db2.gz SHJZQQCQTMPVMC-UHFFFAOYSA-N 0 1 271.295 3.768 20 0 CHADMN COc1ccc(Nc2ccc(C)c3[nH]ncc32)cc1C ZINC001215759737 1134677319 /nfs/dbraw/zinc/67/73/19/1134677319.db2.gz SLCPEOGTGLWVPE-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1ccc(Nc2cccc3c2cnn3C)c2cn[nH]c21 ZINC001215758791 1134677384 /nfs/dbraw/zinc/67/73/84/1134677384.db2.gz XWDSIKCYKFPXJO-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1ccc(Nc2cccc3c2OCCC3)c2cn[nH]c21 ZINC001215759486 1134677399 /nfs/dbraw/zinc/67/73/99/1134677399.db2.gz MLABYIOMCUCWSR-UHFFFAOYSA-N 0 1 279.343 3.940 20 0 CHADMN Cc1cc2c(cccc2Nc2ccc(C)c3[nH]ncc32)nn1 ZINC001215758832 1134677429 /nfs/dbraw/zinc/67/74/29/1134677429.db2.gz ZPGSJKZUHCLCSX-UHFFFAOYSA-N 0 1 289.342 3.867 20 0 CHADMN COc1cc(F)cc(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215759546 1134677505 /nfs/dbraw/zinc/67/75/05/1134677505.db2.gz NTOPLXSLPPAMEH-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1ccc(Nc2ccccc2C2OCCO2)c2cn[nH]c21 ZINC001215760744 1134678401 /nfs/dbraw/zinc/67/84/01/1134678401.db2.gz UYDXZEUNHBAKQX-UHFFFAOYSA-N 0 1 295.342 3.660 20 0 CHADMN Cn1ccnc1Nc1cc(Cl)cc(C(F)(F)F)c1F ZINC001215814225 1134694078 /nfs/dbraw/zinc/69/40/78/1134694078.db2.gz QHIZLTVOVFETCR-UHFFFAOYSA-N 0 1 293.651 3.975 20 0 CHADMN CCOc1cc(Nc2cc(Cl)cc3[nH]ncc32)ccn1 ZINC001215857027 1134703679 /nfs/dbraw/zinc/70/36/79/1134703679.db2.gz DYJFLOHORUFSDK-UHFFFAOYSA-N 0 1 288.738 3.754 20 0 CHADMN CCc1nnc(Nc2c(F)ccc(C3CC3)c2F)s1 ZINC001215991254 1134743287 /nfs/dbraw/zinc/74/32/87/1134743287.db2.gz DSGASEJSVHBSQV-UHFFFAOYSA-N 0 1 281.331 4.000 20 0 CHADMN Cc1ncn(-c2ccc(F)c(-c3ccccc3)c2)c1N ZINC001215994366 1134745110 /nfs/dbraw/zinc/74/51/10/1134745110.db2.gz BVTDQFUJKLKVLD-UHFFFAOYSA-N 0 1 267.307 3.569 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccc(N)c(C(C)C)c1 ZINC001216042601 1134758006 /nfs/dbraw/zinc/75/80/06/1134758006.db2.gz FAAQTCVBYDGVMR-UHFFFAOYSA-N 0 1 280.375 3.622 20 0 CHADMN COc1cccc([C@@H](C)NCC=C(Cl)Cl)c1 ZINC000403331290 1134759402 /nfs/dbraw/zinc/75/94/02/1134759402.db2.gz GGMKGXYLTTWQFS-SECBINFHSA-N 0 1 260.164 3.665 20 0 CHADMN Cc1ccnc(C)c1Nc1cccc(CN(C)C)c1F ZINC001216227465 1134812728 /nfs/dbraw/zinc/81/27/28/1134812728.db2.gz IWSJFOPCWMKXDT-UHFFFAOYSA-N 0 1 273.355 3.643 20 0 CHADMN CCc1cccc(Nc2cccc(CN(C)C)c2F)n1 ZINC001216227500 1134813298 /nfs/dbraw/zinc/81/32/98/1134813298.db2.gz AAMYTAOYECEBDD-UHFFFAOYSA-N 0 1 273.355 3.588 20 0 CHADMN CN(C)Cc1cccc(Nc2cccc3cnn(C)c32)c1F ZINC001216231430 1134814170 /nfs/dbraw/zinc/81/41/70/1134814170.db2.gz JKOSGEMDQGQQPF-UHFFFAOYSA-N 0 1 298.365 3.518 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc3c(c2)CCO3)c1F ZINC001216232153 1134815031 /nfs/dbraw/zinc/81/50/31/1134815031.db2.gz VUXYDAFAJQONNQ-UHFFFAOYSA-N 0 1 286.350 3.566 20 0 CHADMN COc1cccc(Nc2cccc(CN(C)C)c2F)c1F ZINC001216231923 1134816208 /nfs/dbraw/zinc/81/62/08/1134816208.db2.gz PQAHTQJGHQWCSU-UHFFFAOYSA-N 0 1 292.329 3.779 20 0 CHADMN COCc1cccc(Nc2cccc(CN(C)C)c2F)c1 ZINC001216232956 1134816956 /nfs/dbraw/zinc/81/69/56/1134816956.db2.gz RDNPTQPHRXOGNY-UHFFFAOYSA-N 0 1 288.366 3.777 20 0 CHADMN Fc1cccc2oc(Nc3ccnn3-c3ccncc3)cc21 ZINC001216291011 1134837564 /nfs/dbraw/zinc/83/75/64/1134837564.db2.gz DTAYJHCYAZNZCX-UHFFFAOYSA-N 0 1 294.289 3.896 20 0 CHADMN Fc1ccc(Nc2cncn2Cc2ccccc2)c(F)c1 ZINC001216552470 1134917516 /nfs/dbraw/zinc/91/75/16/1134917516.db2.gz QNQGSRVHGWSUDU-UHFFFAOYSA-N 0 1 285.297 3.953 20 0 CHADMN Cc1cc(F)ncc1Nc1cncn1Cc1ccccc1 ZINC001216550137 1134917672 /nfs/dbraw/zinc/91/76/72/1134917672.db2.gz MSMYCQQDRXJANY-UHFFFAOYSA-N 0 1 282.322 3.518 20 0 CHADMN Cc1ccccc1Nc1cncn1Cc1ccccc1 ZINC001216552066 1134917722 /nfs/dbraw/zinc/91/77/22/1134917722.db2.gz HTZPFLKUEDDEON-UHFFFAOYSA-N 0 1 263.344 3.983 20 0 CHADMN c1cc2cc(Nc3cncn3Cc3ccccc3)cnc2o1 ZINC001216552010 1134919119 /nfs/dbraw/zinc/91/91/19/1134919119.db2.gz GKLWVPFQJJBMEK-UHFFFAOYSA-N 0 1 290.326 3.816 20 0 CHADMN Cc1cc(O)cc(C)c1Nc1cncn1Cc1ccccc1 ZINC001216554635 1134919619 /nfs/dbraw/zinc/91/96/19/1134919619.db2.gz KHDLWQOTWOMVGQ-UHFFFAOYSA-N 0 1 293.370 3.997 20 0 CHADMN C[C@H](O)c1ccc(Nc2cncn2Cc2ccccc2)cc1 ZINC001216553566 1134920213 /nfs/dbraw/zinc/92/02/13/1134920213.db2.gz HDVNMIRMJMTBST-AWEZNQCLSA-N 0 1 293.370 3.728 20 0 CHADMN Cc1cc(Nc2cncn2Cc2ccccc2)c(C)cc1N ZINC001216553083 1134920295 /nfs/dbraw/zinc/92/02/95/1134920295.db2.gz FQDNLETVIBKQSP-UHFFFAOYSA-N 0 1 292.386 3.874 20 0 CHADMN CC(C)C[C@H]1CC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000307775266 1134947764 /nfs/dbraw/zinc/94/77/64/1134947764.db2.gz MKLRLQZDRRGCJQ-GFCCVEGCSA-N 0 1 267.800 3.914 20 0 CHADMN CC(C)C[C@H]1CC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000307775266 1134947771 /nfs/dbraw/zinc/94/77/71/1134947771.db2.gz MKLRLQZDRRGCJQ-GFCCVEGCSA-N 0 1 267.800 3.914 20 0 CHADMN Clc1ccccc1-c1noc(-c2ccc3[nH]cnc3c2)n1 ZINC001217131769 1134964012 /nfs/dbraw/zinc/96/40/12/1134964012.db2.gz YSUCEAOATJFRCM-UHFFFAOYSA-N 0 1 296.717 3.933 20 0 CHADMN Cc1ccc(F)cc1-c1noc(-c2cnc3[nH]cccc2-3)n1 ZINC001217146547 1134965623 /nfs/dbraw/zinc/96/56/23/1134965623.db2.gz VOTUBIOTDVBTNT-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1nc2cc(-c3nc(-c4ccccc4F)no3)ccc2[nH]1 ZINC001217244629 1134968848 /nfs/dbraw/zinc/96/88/48/1134968848.db2.gz IWFWFZQYDFMNBI-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1cc(F)cc(-c2noc(-c3cc4cccnc4[nH]3)n2)c1 ZINC001217305895 1134971624 /nfs/dbraw/zinc/97/16/24/1134971624.db2.gz HAHSEEPGGFSVDK-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1ccc(-c2noc(-c3cnc4ccc[nH]c3-4)n2)c(F)c1 ZINC001217398754 1134975121 /nfs/dbraw/zinc/97/51/21/1134975121.db2.gz KDUJXJJJBJFBCK-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Fc1cccc(-c2noc(-c3cnc4ccc[nH]c3-4)n2)c1F ZINC001217399884 1134975989 /nfs/dbraw/zinc/97/59/89/1134975989.db2.gz YDFAJZXJJHTTMV-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN c1ccc(Oc2cccc(-c3nnc([C@@H]4CCN4)o3)c2)cc1 ZINC001217694266 1134987503 /nfs/dbraw/zinc/98/75/03/1134987503.db2.gz CNMDGFBWHYBIMM-HNNXBMFYSA-N 0 1 293.326 3.563 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H]2c2nnc([C@H]3CC[C@H](C)CN3)o2)cc1 ZINC001217701316 1134988070 /nfs/dbraw/zinc/98/80/70/1134988070.db2.gz DFTJNHLTPKUCOE-QCEMKRCNSA-N 0 1 297.402 3.710 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H]2c2nnc([C@H]3NCCC[C@@H]3C)o2)cc1 ZINC001217701901 1134988523 /nfs/dbraw/zinc/98/85/23/1134988523.db2.gz GWDDHJBGXODSOP-TUUVXOQKSA-N 0 1 297.402 3.710 20 0 CHADMN CC[C@H](C)[C@H](NC)c1nnc([C@@H]2C[C@@H]2c2ccccc2)o1 ZINC001217722761 1134991060 /nfs/dbraw/zinc/99/10/60/1134991060.db2.gz FDFNGEQNCSWRJV-MYPMTAMASA-N 0 1 285.391 3.647 20 0 CHADMN Cc1ccc([C@H]2C[C@@H]2c2nnc([C@](C)(N)CC(C)C)o2)cc1 ZINC001217732597 1134992646 /nfs/dbraw/zinc/99/26/46/1134992646.db2.gz DUDXKKNGBXONLY-RVKKMQEKSA-N 0 1 299.418 3.869 20 0 CHADMN CC(C)C[C@@](C)(N)c1nnc([C@@H]2C[C@H]2c2ccccc2)o1 ZINC001217734624 1134993255 /nfs/dbraw/zinc/99/32/55/1134993255.db2.gz YDYJEWVFWFXTNW-JJRVBVJISA-N 0 1 285.391 3.561 20 0 CHADMN CC(C)C[C@@](C)(N)c1nnc(CCC2CCCCC2)o1 ZINC001217733664 1134994183 /nfs/dbraw/zinc/99/41/83/1134994183.db2.gz QPDKZOSURISGAH-MRXNPFEDSA-N 0 1 279.428 3.803 20 0 CHADMN Cc1ccccc1OC[C@H](C)OCc1cccc2nc[nH]c21 ZINC001217890604 1135017634 /nfs/dbraw/zinc/01/76/34/1135017634.db2.gz FRXRQWAJNYQSCD-AWEZNQCLSA-N 0 1 296.370 3.855 20 0 CHADMN C[NH2+][C@H]1CC[C@H](Oc2cc(Cl)c([O-])cc2Cl)CC1 ZINC001218186887 1135065619 /nfs/dbraw/zinc/06/56/19/1135065619.db2.gz CXIUYKKQEHIDCC-KYZUINATSA-N 0 1 290.190 3.608 20 0 CHADMN CO[C@@H]1C[C@H](NCc2cc(Cl)sc2Cl)C1(C)C ZINC000312594991 1135133987 /nfs/dbraw/zinc/13/39/87/1135133987.db2.gz DGGINEODFRTBPC-DTWKUNHWSA-N 0 1 294.247 3.958 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1cccc(Oc2ccccc2)c1 ZINC000315980109 1135162573 /nfs/dbraw/zinc/16/25/73/1135162573.db2.gz VDTGUMYAMYDEFE-UHFFFAOYSA-N 0 1 299.370 3.776 20 0 CHADMN COc1ccccc1[C@H](C)NCc1cccc2c1NCCC2 ZINC000316485559 1135167181 /nfs/dbraw/zinc/16/71/81/1135167181.db2.gz WZRCJDSOENTJCO-AWEZNQCLSA-N 0 1 296.414 3.904 20 0 CHADMN C[C@H](NCc1cccc(F)c1)c1cnn(-c2ccccc2)c1 ZINC000316924114 1135170646 /nfs/dbraw/zinc/17/06/46/1135170646.db2.gz XGMUORGWWPSSSJ-AWEZNQCLSA-N 0 1 295.361 3.862 20 0 CHADMN CC(C)(C)Oc1ccnc(-c2cc(F)c(O)cc2F)c1 ZINC001222082768 1135190417 /nfs/dbraw/zinc/19/04/17/1135190417.db2.gz HELWYAYYGPDNNE-UHFFFAOYSA-N 0 1 279.286 3.910 20 0 CHADMN CCOc1ccc(-c2cc3nc[nH]c3c(C)c2)c(C)n1 ZINC001222106161 1135192801 /nfs/dbraw/zinc/19/28/01/1135192801.db2.gz GBZPRTKNKAXJOM-UHFFFAOYSA-N 0 1 267.332 3.640 20 0 CHADMN Cc1cc(-c2ccc(Cl)c(CO)c2F)cc2nc[nH]c21 ZINC001222344143 1135229425 /nfs/dbraw/zinc/22/94/25/1135229425.db2.gz RNEIVFTXNKRQRU-UHFFFAOYSA-N 0 1 290.725 3.823 20 0 CHADMN c1ncc(COC2c3ccccc3CCc3ccccc32)[nH]1 ZINC001223000234 1135292727 /nfs/dbraw/zinc/29/27/27/1135292727.db2.gz MCLPPHAQTCGJIG-UHFFFAOYSA-N 0 1 290.366 3.815 20 0 CHADMN Clc1ccc([C@@H](OCc2cnc[nH]2)c2ccccn2)cc1 ZINC001223000242 1135293140 /nfs/dbraw/zinc/29/31/40/1135293140.db2.gz MEGWTAKYPCULPU-MRXNPFEDSA-N 0 1 299.761 3.764 20 0 CHADMN C[C@H](OCc1cnc[nH]1)c1ccccc1C(F)(F)F ZINC001223000828 1135293165 /nfs/dbraw/zinc/29/31/65/1135293165.db2.gz QTPYRTSRPXUOAX-VIFPVBQESA-N 0 1 270.254 3.706 20 0 CHADMN C[C@@H](OCc1cnc[nH]1)c1ccccc1OC(F)(F)F ZINC001223007653 1135294106 /nfs/dbraw/zinc/29/41/06/1135294106.db2.gz NDAHAGPVXIHENL-SECBINFHSA-N 0 1 286.253 3.586 20 0 CHADMN Clc1ccccc1CN1CC[C@H](OCc2ccco2)C1 ZINC001223050385 1135299737 /nfs/dbraw/zinc/29/97/37/1135299737.db2.gz LOWHPUAKMSOKGM-AWEZNQCLSA-N 0 1 291.778 3.724 20 0 CHADMN CC(C)c1cccc(COC2CN(C(C)(C)C)C2)c1 ZINC001223946642 1135402229 /nfs/dbraw/zinc/40/22/29/1135402229.db2.gz UILALMWUZSDJPW-UHFFFAOYSA-N 0 1 261.409 3.809 20 0 CHADMN CCCCCC(CCCCC)OCCN1CCN(C)CC1 ZINC001224549419 1135459652 /nfs/dbraw/zinc/45/96/52/1135459652.db2.gz NLKAYEWDNCUZRB-UHFFFAOYSA-N 0 1 298.515 3.780 20 0 CHADMN CC[C@@H](C)CO[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001224667695 1135467722 /nfs/dbraw/zinc/46/77/22/1135467722.db2.gz LDLRXQDOFKYLSW-CJNGLKHVSA-N 0 1 281.827 3.977 20 0 CHADMN Clc1ccccc1O[C@H]1CCN(Cc2ccccc2)C1 ZINC001225204948 1135513492 /nfs/dbraw/zinc/51/34/92/1135513492.db2.gz SQXIUACPLKJQAF-HNNXBMFYSA-N 0 1 287.790 3.993 20 0 CHADMN CC(C)(C)N1CC(Oc2ccc3ccccc3c2)C1 ZINC001225266926 1135531430 /nfs/dbraw/zinc/53/14/30/1135531430.db2.gz DXXVOZKLVOXQOV-UHFFFAOYSA-N 0 1 255.361 3.701 20 0 CHADMN CCN1CCC[C@@H](Oc2ccc(C)cc2Br)C1 ZINC001225815623 1135626100 /nfs/dbraw/zinc/62/61/00/1135626100.db2.gz HCJQXQWLFXAKLJ-GFCCVEGCSA-N 0 1 298.224 3.621 20 0 CHADMN C[C@@H](Oc1cccc2[nH]nnc21)c1cccc(Cl)c1 ZINC001225990867 1135649504 /nfs/dbraw/zinc/64/95/04/1135649504.db2.gz LUZHJLOZWUKYHQ-SECBINFHSA-N 0 1 273.723 3.751 20 0 CHADMN Cc1cc(=O)[nH]c(O[C@H](C)c2cc(Cl)ccc2Cl)n1 ZINC001226159431 1135668937 /nfs/dbraw/zinc/66/89/37/1135668937.db2.gz MBUHXZJCCGBDEG-MRVPVSSYSA-N 0 1 299.157 3.937 20 0 CHADMN Cc1cc(=O)[nH]c(O[C@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC001226157045 1135668980 /nfs/dbraw/zinc/66/89/80/1135668980.db2.gz VSAHTICAVWBDDQ-SECBINFHSA-N 0 1 298.264 3.649 20 0 CHADMN COc1ccccc1[C@@H](C)Oc1cc(N)nc2ccccc21 ZINC001226419398 1135694659 /nfs/dbraw/zinc/69/46/59/1135694659.db2.gz UYZPDFHCBKRPJO-GFCCVEGCSA-N 0 1 294.354 3.966 20 0 CHADMN CCCC(=O)[C@H](CCC)Oc1cc(N)nc2ccccc21 ZINC001226419417 1135694678 /nfs/dbraw/zinc/69/46/78/1135694678.db2.gz VEUHXEOAAYDLGM-HNNXBMFYSA-N 0 1 286.375 3.734 20 0 CHADMN Cc1ccc2nc(OC[C@@H](C)OCc3ccccc3)[nH]c2c1 ZINC001226508739 1135705880 /nfs/dbraw/zinc/70/58/80/1135705880.db2.gz OYZIYGKZIIXJDH-CQSZACIVSA-N 0 1 296.370 3.855 20 0 CHADMN COc1ccc([C@@H](C)Oc2nc3ccc(F)cc3[nH]2)cc1 ZINC001226701273 1135730332 /nfs/dbraw/zinc/73/03/32/1135730332.db2.gz NGOGNCFHKYFZIB-SNVBAGLBSA-N 0 1 286.306 3.851 20 0 CHADMN CC(C)N1CCC[C@@H](Oc2cccc(F)c2Cl)C1 ZINC001226829959 1135747620 /nfs/dbraw/zinc/74/76/20/1135747620.db2.gz UVHMCHGPPGDQBI-LLVKDONJSA-N 0 1 271.763 3.731 20 0 CHADMN Cc1ccc2c(c1)[C@@H](Oc1ccc3nc[nH]c3c1)CC2 ZINC001226923621 1135762069 /nfs/dbraw/zinc/76/20/69/1135762069.db2.gz FXKKFAKZDVURCS-KRWDZBQOSA-N 0 1 264.328 3.938 20 0 CHADMN Cc1cccc2c1CC[C@@H]2Oc1ccc2nc[nH]c2c1 ZINC001226924812 1135762094 /nfs/dbraw/zinc/76/20/94/1135762094.db2.gz PCQCELPXLXBXOI-KRWDZBQOSA-N 0 1 264.328 3.938 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2Oc1ccc2nc[nH]c2c1 ZINC001226923938 1135762142 /nfs/dbraw/zinc/76/21/42/1135762142.db2.gz JWNIBJMTOURLOS-KRWDZBQOSA-N 0 1 264.328 3.938 20 0 CHADMN CC(=O)[C@@H](Oc1nc2cccc(C)c2[nH]1)c1ccccc1 ZINC001227267282 1135812398 /nfs/dbraw/zinc/81/23/98/1135812398.db2.gz APFUSEWEQISKGN-MRXNPFEDSA-N 0 1 280.327 3.580 20 0 CHADMN CCCC[C@H](Oc1[nH]c(=S)nnc1C)c1ccccc1 ZINC001227597830 1135848715 /nfs/dbraw/zinc/84/87/15/1135848715.db2.gz DENSRPNQDZCQJK-ZDUSSCGKSA-N 0 1 289.404 3.779 20 0 CHADMN CC(C)C[C@@H](CO)NCc1cc(Cl)sc1Cl ZINC000312584048 260159597 /nfs/dbraw/zinc/15/95/97/260159597.db2.gz ORTHWTYDNAGQSN-VIFPVBQESA-N 0 1 282.236 3.552 20 0 CHADMN CCn1ccnc1CN1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000347599809 529568904 /nfs/dbraw/zinc/56/89/04/529568904.db2.gz MKHRQEFPOHFZKS-KBPBESRZSA-N 0 1 263.429 3.550 20 0 CHADMN CC[C@H](NCCO[C@H]1CCCC[C@@H]1C)c1nccs1 ZINC000347920050 529604511 /nfs/dbraw/zinc/60/45/11/529604511.db2.gz NVKRGPBUAFJCHA-IHRRRGAJSA-N 0 1 282.453 3.779 20 0 CHADMN CC[C@H](NCc1ccc2cc[nH]c2n1)c1ccccc1F ZINC000353649802 529629813 /nfs/dbraw/zinc/62/98/13/529629813.db2.gz PBSOYFZPCCNYAW-INIZCTEOSA-N 0 1 283.350 3.943 20 0 CHADMN CCc1cnc(CN2CC[C@@H]2Cc2ccccc2)s1 ZINC000346172334 529646181 /nfs/dbraw/zinc/64/61/81/529646181.db2.gz OOVUOZYGMALUEA-CQSZACIVSA-N 0 1 272.417 3.523 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2cc(C)oc2C)cn1 ZINC000352779934 529654458 /nfs/dbraw/zinc/65/44/58/529654458.db2.gz MRYUINDZOMWTIF-LBPRGKRZSA-N 0 1 258.365 3.705 20 0 CHADMN CCc1ccc(CN(C)Cc2ccccc2C)cn1 ZINC000347668107 529636374 /nfs/dbraw/zinc/63/63/74/529636374.db2.gz IEXLPEKDLWPKOE-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN CCc1ccc(CN(Cc2ccc(F)cc2)C2CC2)cn1 ZINC000347659618 529638591 /nfs/dbraw/zinc/63/85/91/529638591.db2.gz YCBLOWZFXOGNSP-UHFFFAOYSA-N 0 1 284.378 3.948 20 0 CHADMN CCc1ccc(CN[C@H]2CCCOc3ccccc32)cn1 ZINC000352834558 529658199 /nfs/dbraw/zinc/65/81/99/529658199.db2.gz XSSFCIIZSGUNGL-KRWDZBQOSA-N 0 1 282.387 3.648 20 0 CHADMN CC[C@H](C)CN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000347305618 529658783 /nfs/dbraw/zinc/65/87/83/529658783.db2.gz LXTFMEDRMROZGP-JSGCOSHPSA-N 0 1 277.412 3.910 20 0 CHADMN CCc1ccc(CNc2cnccc2-n2cc(C)cn2)cc1 ZINC000345020816 529659287 /nfs/dbraw/zinc/65/92/87/529659287.db2.gz ZXXUOQWXMNOVCV-UHFFFAOYSA-N 0 1 292.386 3.750 20 0 CHADMN CC[C@H](N[C@H](C)c1nc(C)cc(=O)[nH]1)c1ccc(C)cc1 ZINC000192722706 529667889 /nfs/dbraw/zinc/66/78/89/529667889.db2.gz SYRUZLLWELHMCA-HIFRSBDPSA-N 0 1 285.391 3.601 20 0 CHADMN Fc1ccccc1CNCc1ccc(OC(F)F)c(F)c1 ZINC000167958745 334935271 /nfs/dbraw/zinc/93/52/71/334935271.db2.gz JRQDNOUWOAHMKX-UHFFFAOYSA-N 0 1 299.267 3.856 20 0 CHADMN CCc1nc(CN(C)[C@H](c2ccccc2C)C(C)C)n[nH]1 ZINC000354840786 529735411 /nfs/dbraw/zinc/73/54/11/529735411.db2.gz SGVAMLPXOFNPSN-KRWDZBQOSA-N 0 1 286.423 3.505 20 0 CHADMN CCc1nc(CNC[C@@H](SC)C(C)(C)C)cs1 ZINC000344331781 529739893 /nfs/dbraw/zinc/73/98/93/529739893.db2.gz BEWFYELNPJEWSM-LLVKDONJSA-N 0 1 272.483 3.573 20 0 CHADMN CCc1ncc(CN2CC[C@@H](C(F)(F)F)C2(C)C)s1 ZINC000347253687 529754269 /nfs/dbraw/zinc/75/42/69/529754269.db2.gz CXXPQGKJOMKLBI-SNVBAGLBSA-N 0 1 292.370 3.868 20 0 CHADMN CCc1nc(CSc2c(Cl)cccc2Cl)n[nH]1 ZINC000344732561 529741673 /nfs/dbraw/zinc/74/16/73/529741673.db2.gz KWZRKNUIPWHURT-UHFFFAOYSA-N 0 1 288.203 3.966 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCCCCC(=O)[O-] ZINC000576523081 335214681 /nfs/dbraw/zinc/21/46/81/335214681.db2.gz MSNLRIXDJMLPPJ-CYBMUJFWSA-N 0 1 297.826 3.848 20 0 CHADMN COCc1nc(CN2CCC[C@@H]2CC(C)(C)C)cs1 ZINC000352865452 227355177 /nfs/dbraw/zinc/35/51/77/227355177.db2.gz FMGMRPMHEBDJEZ-CYBMUJFWSA-N 0 1 282.453 3.690 20 0 CHADMN Cc1ccc(F)c(CN(C)C[C@H]2CCC(C)(C)O2)c1 ZINC000444729255 261138009 /nfs/dbraw/zinc/13/80/09/261138009.db2.gz FNNMARFEQCMEKN-CQSZACIVSA-N 0 1 265.372 3.524 20 0 CHADMN Cc1oc([C@H](C)[N@H+]2CC[C@@H](CC(C)C)C2)cc1C(=O)[O-] ZINC000574285029 335007024 /nfs/dbraw/zinc/00/70/24/335007024.db2.gz ZSABXPVVWZUPJS-AAEUAGOBSA-N 0 1 279.380 3.715 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H]2CC[C@H](C)CC2)c1 ZINC000574331045 335011385 /nfs/dbraw/zinc/01/13/85/335011385.db2.gz FGHBKKBWKMCGGL-HAQNSBGRSA-N 0 1 289.375 3.750 20 0 CHADMN CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000574340801 335012428 /nfs/dbraw/zinc/01/24/28/335012428.db2.gz VUVYVPYMLUKXQJ-HNNXBMFYSA-N 0 1 293.382 3.925 20 0 CHADMN CCc1nc(C)c([C@@H](C)N[C@@H](C)c2cccnc2)s1 ZINC000158475195 261165101 /nfs/dbraw/zinc/16/51/01/261165101.db2.gz IFLVIXGSABUWCF-WDEREUQCSA-N 0 1 275.421 3.821 20 0 CHADMN COC1(C[C@@H](C)Nc2ccc3c(c2)nc(C)n3C)CCC1 ZINC000574612988 335033805 /nfs/dbraw/zinc/03/38/05/335033805.db2.gz KAACYWDXMZGMNN-GFCCVEGCSA-N 0 1 287.407 3.641 20 0 CHADMN Cc1ccc2ccccc2c1C[N@@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000574697537 335040733 /nfs/dbraw/zinc/04/07/33/335040733.db2.gz VESPGULKBBDMGB-AUUYWEPGSA-N 0 1 297.398 3.691 20 0 CHADMN COC1CC(N(C)Cc2cc(Cl)ccc2Cl)C1 ZINC000352194804 533032476 /nfs/dbraw/zinc/03/24/76/533032476.db2.gz LYKZXGFEFMVUAQ-UHFFFAOYSA-N 0 1 274.191 3.603 20 0 CHADMN COc1ccnc(CN[C@@H](C)c2c(C)cccc2C)c1 ZINC000355035754 533056008 /nfs/dbraw/zinc/05/60/08/533056008.db2.gz IFDXLKANYNSODK-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1cc(C)cc([C@@H]2CC[N@@H+](Cc3ccoc3C(=O)[O-])C2)c1 ZINC000574816313 335049969 /nfs/dbraw/zinc/04/99/69/335049969.db2.gz JHULJMZJSWNRDQ-CQSZACIVSA-N 0 1 299.370 3.584 20 0 CHADMN CO[C@H](C)c1nc(CN[C@H]2CCC23CCCC3)cs1 ZINC000353312689 533124156 /nfs/dbraw/zinc/12/41/56/533124156.db2.gz JTLVZCXGKXBQQO-YPMHNXCESA-N 0 1 280.437 3.663 20 0 CHADMN OCCN(Cc1sc2ccccc2c1Cl)C1CCC1 ZINC000221146205 260029445 /nfs/dbraw/zinc/02/94/45/260029445.db2.gz VFRFCRDKEKINLD-UHFFFAOYSA-N 0 1 295.835 3.902 20 0 CHADMN CO[C@@H](C)c1nc(CN[C@@H](C)CCC(C)C)cs1 ZINC000344781158 533358975 /nfs/dbraw/zinc/35/89/75/533358975.db2.gz ZYDBQIUANMDART-RYUDHWBXSA-N 0 1 270.442 3.765 20 0 CHADMN COc1ccc(C)cc1CN[C@H]1CCOc2c(C)cccc21 ZINC000353226706 533389433 /nfs/dbraw/zinc/38/94/33/533389433.db2.gz QWKLDTUXSHGNLY-KRWDZBQOSA-N 0 1 297.398 3.925 20 0 CHADMN C[C@@H](N[C@H]1CCC(C)(C)C1)c1noc(-c2ccccc2)n1 ZINC000332155696 533539147 /nfs/dbraw/zinc/53/91/47/533539147.db2.gz IAYUSXBLGVIWJG-OCCSQVGLSA-N 0 1 285.391 3.966 20 0 CHADMN COc1ccc(CN(C)Cc2ccc3occc3c2)cc1O ZINC000347661563 533544239 /nfs/dbraw/zinc/54/42/39/533544239.db2.gz LONOABYSUYKNKP-UHFFFAOYSA-N 0 1 297.354 3.779 20 0 CHADMN Cc1cc(CN2CCCC[C@H]2c2ccc(C)cc2)n(C)n1 ZINC000417766247 533600149 /nfs/dbraw/zinc/60/01/49/533600149.db2.gz AFRPGTAGHKLYEA-SFHVURJKSA-N 0 1 283.419 3.764 20 0 CHADMN Cc1cc(CN2CC[C@H](C(C)(C)C)C[C@H]2C)no1 ZINC000347581783 533625659 /nfs/dbraw/zinc/62/56/59/533625659.db2.gz OPWDRFSESHYENQ-YPMHNXCESA-N 0 1 250.386 3.630 20 0 CHADMN C[C@@H]1CCCC[C@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000333542325 533631489 /nfs/dbraw/zinc/63/14/89/533631489.db2.gz IBCKMORWPHHWTK-BXUZGUMPSA-N 0 1 282.347 3.678 20 0 CHADMN C[C@H]1CCN(Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000347280231 533642590 /nfs/dbraw/zinc/64/25/90/533642590.db2.gz FXXPZLJCRHTRAN-JTQLQIEISA-N 0 1 294.370 3.930 20 0 CHADMN C[C@H]1CCN(Cc2cscc2Br)[C@H]1C ZINC000347921609 533643316 /nfs/dbraw/zinc/64/33/16/533643316.db2.gz QVJAGBPZJKQYAJ-IUCAKERBSA-N 0 1 274.227 3.741 20 0 CHADMN CC[C@H](NCc1csc2ccccc12)c1nccn1C ZINC000341758683 130025770 /nfs/dbraw/zinc/02/57/70/130025770.db2.gz AZUQHKSHEWMCIX-AWEZNQCLSA-N 0 1 285.416 3.876 20 0 CHADMN CC(C)[C@@H](NCc1cncn1C)c1cc2ccccc2o1 ZINC000341865804 130080571 /nfs/dbraw/zinc/08/05/71/130080571.db2.gz KIRULHDYIMYMJY-QGZVFWFLSA-N 0 1 283.375 3.653 20 0 CHADMN Cc1cc([C@H](N[C@@H](C)c2nccn2C)C2CC2)ccc1F ZINC000341878319 130103793 /nfs/dbraw/zinc/10/37/93/130103793.db2.gz NEEXPAXKDMUCCJ-BLLLJJGKSA-N 0 1 287.382 3.670 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC2(CCOCC2)CC1 ZINC000341993627 130185445 /nfs/dbraw/zinc/18/54/45/130185445.db2.gz RLBNXGBDURETRN-CYBMUJFWSA-N 0 1 295.373 3.918 20 0 CHADMN Fc1ccc(CN2CCC[C@H]2[C@@H]2CCCO2)cc1Cl ZINC000342011915 130197876 /nfs/dbraw/zinc/19/78/76/130197876.db2.gz DYHFYMJIKNLKKL-GJZGRUSLSA-N 0 1 283.774 3.623 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CC[C@@]2(C1)CCCOC2 ZINC000341987720 130210570 /nfs/dbraw/zinc/21/05/70/130210570.db2.gz HTCRTMVFIUNQKR-BLLLJJGKSA-N 0 1 281.346 3.528 20 0 CHADMN CCc1nc(S[C@@H]2CCc3ccc(Cl)cc32)n[nH]1 ZINC000342182849 130317922 /nfs/dbraw/zinc/31/79/22/130317922.db2.gz AIRSWFTUFACSFO-LLVKDONJSA-N 0 1 279.796 3.800 20 0 CHADMN CCc1n[nH]c(S[C@@H]2CCc3ccc(Cl)cc32)n1 ZINC000342182849 130317927 /nfs/dbraw/zinc/31/79/27/130317927.db2.gz AIRSWFTUFACSFO-LLVKDONJSA-N 0 1 279.796 3.800 20 0 CHADMN COc1ccc(CNCc2ccc3occc3c2)c(F)c1 ZINC000352747686 533675372 /nfs/dbraw/zinc/67/53/72/533675372.db2.gz GBBHDDDZESNDJU-UHFFFAOYSA-N 0 1 285.318 3.870 20 0 CHADMN Fc1ccccc1-c1n[nH]c(SCc2ccccc2)n1 ZINC000005677947 170127717 /nfs/dbraw/zinc/12/77/17/170127717.db2.gz DAGQOOHSTXOWAY-UHFFFAOYSA-N 0 1 285.347 3.903 20 0 CHADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)c1ccccc1Cl ZINC000007139139 170268409 /nfs/dbraw/zinc/26/84/09/170268409.db2.gz MFHWFODXVYZEMO-JTQLQIEISA-N 0 1 299.761 3.707 20 0 CHADMN CSc1ccccc1NC(=O)[C@@H](C)N1CCCCCC1 ZINC000007378259 170281399 /nfs/dbraw/zinc/28/13/99/170281399.db2.gz LPWVRQGRHKDTKK-CYBMUJFWSA-N 0 1 292.448 3.612 20 0 CHADMN Cc1cc(C)cc(NC(=O)CN2[C@@H](C)CCC[C@@H]2C)c1 ZINC000009997892 170393884 /nfs/dbraw/zinc/39/38/84/170393884.db2.gz QICDOXJYPZERQW-GJZGRUSLSA-N 0 1 274.408 3.505 20 0 CHADMN CC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2O)c1 ZINC000019807247 170875883 /nfs/dbraw/zinc/87/58/83/170875883.db2.gz QXLBCXVZUHUDEC-UHFFFAOYSA-N 0 1 289.718 3.501 20 0 CHADMN COc1cccc([C@H](C)N[C@@H](C)c2ccccn2)c1 ZINC000020123408 171004100 /nfs/dbraw/zinc/00/41/00/171004100.db2.gz QCGSNYXNKNNSNI-STQMWFEESA-N 0 1 256.349 3.502 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccccn2)cc1F ZINC000020123774 171004616 /nfs/dbraw/zinc/00/46/16/171004616.db2.gz GJUPDRDIXFXZPH-RYUDHWBXSA-N 0 1 274.339 3.641 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccccn2)cc1OC ZINC000020123678 171004818 /nfs/dbraw/zinc/00/48/18/171004818.db2.gz UQFGLDGHDZEPMG-STQMWFEESA-N 0 1 286.375 3.511 20 0 CHADMN C[C@@H](NCc1ccc(O)cc1)c1ccccc1Cl ZINC000020123966 171005451 /nfs/dbraw/zinc/00/54/51/171005451.db2.gz FSYZTYKGOALESF-LLVKDONJSA-N 0 1 261.752 3.896 20 0 CHADMN COc1ccc(OC)c([C@@H](C)N[C@@H](C)c2cccnc2)c1 ZINC000020127665 171013270 /nfs/dbraw/zinc/01/32/70/171013270.db2.gz MADARMDEGYQTFK-QWHCGFSZSA-N 0 1 286.375 3.511 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cccnc2)c(OC)c1 ZINC000020127828 171013970 /nfs/dbraw/zinc/01/39/70/171013970.db2.gz YMVBRFNUHHDODC-STQMWFEESA-N 0 1 286.375 3.511 20 0 CHADMN Fc1ccc(CN[C@@H]2CCc3ccccc32)c(F)c1 ZINC000020129644 171017743 /nfs/dbraw/zinc/01/77/43/171017743.db2.gz IXQBTZDAOLFZMY-MRXNPFEDSA-N 0 1 259.299 3.742 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cccs2)c1OC ZINC000020148490 171036700 /nfs/dbraw/zinc/03/67/00/171036700.db2.gz XRGVRZGUKMAHHU-NSHDSACASA-N 0 1 277.389 3.616 20 0 CHADMN C[C@@H](NCc1c(Cl)cccc1Cl)[C@@H]1CCCO1 ZINC000020207829 171072309 /nfs/dbraw/zinc/07/23/09/171072309.db2.gz XVFMWVVVTATNHO-RNCFNFMXSA-N 0 1 274.191 3.651 20 0 CHADMN Cc1ccc(NC(=O)c2ccc(Cl)cc2O)cc1C ZINC000020562766 171252245 /nfs/dbraw/zinc/25/22/45/171252245.db2.gz UOHPGQLXDGSYBJ-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN Cc1ccc(NC(=O)c2ccc(Cl)cc2O)cc1F ZINC000021505712 171307375 /nfs/dbraw/zinc/30/73/75/171307375.db2.gz UPJBYPMGKUBSJY-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN C[C@@H](NCc1ccc(Br)cc1)c1ccco1 ZINC000035136790 172003578 /nfs/dbraw/zinc/00/35/78/172003578.db2.gz JQAHPXSQCNPVGD-SNVBAGLBSA-N 0 1 280.165 3.893 20 0 CHADMN c1ccc(CN[C@H](c2ccccc2)c2ccncc2)cc1 ZINC000035161425 172020613 /nfs/dbraw/zinc/02/06/13/172020613.db2.gz CDIVLALULYJYPQ-LJQANCHMSA-N 0 1 274.367 3.961 20 0 CHADMN COc1ccc(Cl)cc1CN[C@@H](C)c1ccncc1 ZINC000035180214 172033163 /nfs/dbraw/zinc/03/31/63/172033163.db2.gz JPMFZNRQKMXQFK-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN Cc1c([C@@H](C)NCc2ccc(Cl)c(Cl)c2)cnn1C ZINC000035274298 172094030 /nfs/dbraw/zinc/09/40/30/172094030.db2.gz WYKAZIGLSYGJPJ-SECBINFHSA-N 0 1 298.217 3.886 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccccc2)cc1 ZINC000038021455 174000588 /nfs/dbraw/zinc/00/05/88/174000588.db2.gz STNVMVPHDPJNQE-UHFFFAOYSA-N 0 1 283.371 3.650 20 0 CHADMN c1ccc([C@@H]2CCCN(Cc3nc(C4CC4)no3)CC2)cc1 ZINC000039515633 174169486 /nfs/dbraw/zinc/16/94/86/174169486.db2.gz DTMHUQUPWWJHEZ-OAHLLOKOSA-N 0 1 297.402 3.717 20 0 CHADMN CN(Cc1sccc1Br)CC(C)(C)C ZINC000045086692 175304079 /nfs/dbraw/zinc/30/40/79/175304079.db2.gz WVFSCXURMMQVRH-UHFFFAOYSA-N 0 1 276.243 3.989 20 0 CHADMN CC[C@H](NCc1ncccc1C)c1ccc(F)cc1 ZINC000071339440 176129919 /nfs/dbraw/zinc/12/99/19/176129919.db2.gz WTHAVNHAQKYKHQ-HNNXBMFYSA-N 0 1 258.340 3.770 20 0 CHADMN COc1cccc(-c2nc(CN3CCC[C@H](C)C3)co2)c1 ZINC000072180414 176334717 /nfs/dbraw/zinc/33/47/17/176334717.db2.gz KYKJWABQXZFBAP-ZDUSSCGKSA-N 0 1 286.375 3.582 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(OC)cc2F)cc1 ZINC000037199103 260074014 /nfs/dbraw/zinc/07/40/14/260074014.db2.gz GWROXMKBNFYFIS-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cncc(F)c2)cc2cccnc12 ZINC000344325599 225047641 /nfs/dbraw/zinc/04/76/41/225047641.db2.gz IAJMSRWVOTVBKR-ZDUSSCGKSA-N 0 1 295.361 3.928 20 0 CHADMN C[C@H]1c2cc(F)cc(F)c2CCN1CCc1cccnc1 ZINC000344240398 225001053 /nfs/dbraw/zinc/00/10/53/225001053.db2.gz MMRCBRVGIWAXJC-LBPRGKRZSA-N 0 1 288.341 3.522 20 0 CHADMN Fc1cccc(CCN2CCCc3occc3C2)c1F ZINC000344235834 225001423 /nfs/dbraw/zinc/00/14/23/225001423.db2.gz MBRPMXGIIUTYOW-UHFFFAOYSA-N 0 1 277.314 3.549 20 0 CHADMN Cc1ccc2nc(NC(=O)C3(CC(C)C)CC3)[nH]c2c1 ZINC000344457907 225064579 /nfs/dbraw/zinc/06/45/79/225064579.db2.gz JHGSKUFZRBSFDQ-UHFFFAOYSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1ccc2nc(NC(=O)CCc3ccsc3)[nH]c2c1 ZINC000344474970 225069735 /nfs/dbraw/zinc/06/97/35/225069735.db2.gz BOKFVWXTZRLMHU-UHFFFAOYSA-N 0 1 285.372 3.504 20 0 CHADMN Cc1nc2ccc(NC(=O)c3csc(Cl)c3)cc2[nH]1 ZINC000344517122 225090589 /nfs/dbraw/zinc/09/05/89/225090589.db2.gz MSGNHFXDKALBRP-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN COC[C@H](NCc1cccc2cc[nH]c21)c1ccc(F)cc1 ZINC000344598498 225115661 /nfs/dbraw/zinc/11/56/61/225115661.db2.gz FKORBZDMERBERQ-KRWDZBQOSA-N 0 1 298.361 3.784 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)[C@H]1C(=O)[O-] ZINC000334642055 225232546 /nfs/dbraw/zinc/23/25/46/225232546.db2.gz ARQDRGYGKFXENR-SUMWQHHRSA-N 0 1 283.371 3.525 20 0 CHADMN CCOc1ccc(CN(C)Cc2cc(Cl)cn2C)cc1 ZINC000355084658 227382909 /nfs/dbraw/zinc/38/29/09/227382909.db2.gz VYWACFOOCBTDMH-UHFFFAOYSA-N 0 1 292.810 3.709 20 0 CHADMN C[C@H]1Cc2ccc(Br)cc2CN1CCCF ZINC000347343938 226120535 /nfs/dbraw/zinc/12/05/35/226120535.db2.gz FQSUYYDLSHRGQV-JTQLQIEISA-N 0 1 286.188 3.555 20 0 CHADMN c1c2ccccc2n2c1CN(CC[C@H]1CCCCO1)CCC2 ZINC000347513088 226172775 /nfs/dbraw/zinc/17/27/75/226172775.db2.gz HKWPVCKFXLIOMO-GOSISDBHSA-N 0 1 298.430 3.806 20 0 CHADMN Cc1ccnc(NC[C@H](c2cccnc2)C(C)C)c1 ZINC000347718641 226231636 /nfs/dbraw/zinc/23/16/36/226231636.db2.gz BEHICBYAWXKUKK-HNNXBMFYSA-N 0 1 255.365 3.637 20 0 CHADMN COCC[C@@H](N[C@H](C)c1nc(C)cs1)c1ccccc1 ZINC000348097716 226415105 /nfs/dbraw/zinc/41/51/05/226415105.db2.gz QZWWAWHEOHSCAY-UKRRQHHQSA-N 0 1 290.432 3.880 20 0 CHADMN Cc1csc([C@@H](C)NCCOC2CCCCCC2)n1 ZINC000348105484 226415570 /nfs/dbraw/zinc/41/55/70/226415570.db2.gz DKGXEHJRVKNFIV-CYBMUJFWSA-N 0 1 282.453 3.842 20 0 CHADMN Cc1nc(CN(C)C[C@@H]2C[C@H]2c2ccccc2)cs1 ZINC000349992881 226910366 /nfs/dbraw/zinc/91/03/66/226910366.db2.gz VEGSRZAKHGOYEC-HOCLYGCPSA-N 0 1 272.417 3.687 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc3n[nH]cc3c2)o1 ZINC000353976207 227014344 /nfs/dbraw/zinc/01/43/44/227014344.db2.gz WZOJUMLVAVVUCQ-RYUDHWBXSA-N 0 1 269.348 3.876 20 0 CHADMN Cc1nc(-c2ccc(CN[C@H](C)c3ccncc3)o2)cs1 ZINC000350518538 227027888 /nfs/dbraw/zinc/02/78/88/227027888.db2.gz VDFYKDROQRZYAO-LLVKDONJSA-N 0 1 299.399 3.957 20 0 CHADMN Cc1nocc1CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000350554310 227033026 /nfs/dbraw/zinc/03/30/26/227033026.db2.gz GWMVCXHBZZQGFN-QGZVFWFLSA-N 0 1 268.360 3.635 20 0 CHADMN O=C(CCN1CCC=C(c2ccco2)C1)c1ccccc1 ZINC000352550231 227054022 /nfs/dbraw/zinc/05/40/22/227054022.db2.gz LMYAPQFWOVUZDX-UHFFFAOYSA-N 0 1 281.355 3.642 20 0 CHADMN Cc1ccccc1[C@H](C)N(C)C(=O)c1cccc2c[nH]nc21 ZINC000350767222 227077240 /nfs/dbraw/zinc/07/72/40/227077240.db2.gz LBCWMPHDIDAUNF-ZDUSSCGKSA-N 0 1 293.370 3.705 20 0 CHADMN c1cc2cc(CN3CCOC[C@H]3CC3CCC3)ccc2o1 ZINC000354727554 227084786 /nfs/dbraw/zinc/08/47/86/227084786.db2.gz GCDRQFDFRSTVLW-QGZVFWFLSA-N 0 1 285.387 3.824 20 0 CHADMN CCc1nocc1CN1CC=C(c2cccc(OC)c2)CC1 ZINC000350828243 227108925 /nfs/dbraw/zinc/10/89/25/227108925.db2.gz GLEKUHKYUBBFDP-UHFFFAOYSA-N 0 1 298.386 3.535 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1ccc(Cl)cc1F ZINC000352625121 227116879 /nfs/dbraw/zinc/11/68/79/227116879.db2.gz DNDXZYQUGJEYOR-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN Cc1ccc(-c2cc(-c3nc(-c4ccsc4)no3)[nH]n2)o1 ZINC000171784116 335079692 /nfs/dbraw/zinc/07/96/92/335079692.db2.gz HDINVWKPPHIGOA-UHFFFAOYSA-N 0 1 298.327 3.757 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1ccc2ccccc2c1 ZINC000352629008 227125465 /nfs/dbraw/zinc/12/54/65/227125465.db2.gz FDQMXSRUDFBJHA-UHFFFAOYSA-N 0 1 287.322 3.968 20 0 CHADMN Cc1ncc(CN2CCC[C@H]3CCC[C@H]32)n1-c1ccccc1 ZINC000352728595 227192171 /nfs/dbraw/zinc/19/21/71/227192171.db2.gz ZQYHPDOLIVETNF-VQIMIIECSA-N 0 1 295.430 3.945 20 0 CHADMN Cc1nccc(N2CCC[C@@H](c3nccs3)C2)c1Cl ZINC000352731294 227193080 /nfs/dbraw/zinc/19/30/80/227193080.db2.gz MCJOQAQKOPCVPX-LLVKDONJSA-N 0 1 293.823 3.884 20 0 CHADMN Cc1cc(CN2C[C@@H](C)CC[C@H]2c2ccccc2)nn1C ZINC000352803483 227241078 /nfs/dbraw/zinc/24/10/78/227241078.db2.gz OHASJURAYCKKNG-KSSFIOAISA-N 0 1 283.419 3.702 20 0 CHADMN COc1ncccc1CN([C@H](C)c1ccccc1)C1CC1 ZINC000352821299 227259458 /nfs/dbraw/zinc/25/94/58/227259458.db2.gz ANZCHIXHMFJIQF-CQSZACIVSA-N 0 1 282.387 3.816 20 0 CHADMN COCc1ccccc1/C=C(/C)CN(C)Cc1cccnc1 ZINC000352831732 227306485 /nfs/dbraw/zinc/30/64/85/227306485.db2.gz MZGFRVJIPVIGOX-WJDWOHSUSA-N 0 1 296.414 3.763 20 0 CHADMN CCOc1ccccc1[C@@H](CC)N[C@@H](C)c1ccnn1C ZINC000192798821 227298589 /nfs/dbraw/zinc/29/85/89/227298589.db2.gz NATNHWCPRCFOLD-DZGCQCFKSA-N 0 1 287.407 3.621 20 0 CHADMN Cc1cc([C@@H](C)NC(=O)c2cccc3nc[nH]c32)c(C)s1 ZINC000354999163 227299296 /nfs/dbraw/zinc/29/92/96/227299296.db2.gz HYQBHDKNVDQVJI-SNVBAGLBSA-N 0 1 299.399 3.732 20 0 CHADMN Cc1nccc(N2CC=C(C(F)(F)F)CC2)c1Cl ZINC000355101100 227399177 /nfs/dbraw/zinc/39/91/77/227399177.db2.gz HJGDIMFBOFNGEB-UHFFFAOYSA-N 0 1 276.689 3.742 20 0 CHADMN c1ccc2[nH]c(CN3CCC4(CCCC4)CC3)nc2c1 ZINC000353419909 228099053 /nfs/dbraw/zinc/09/90/53/228099053.db2.gz DMBMGKAIUWXVMV-UHFFFAOYSA-N 0 1 269.392 3.719 20 0 CHADMN Cc1cc(C)cc(CN[C@@H]2COCc3ccccc32)c1 ZINC000418096394 228037841 /nfs/dbraw/zinc/03/78/41/228037841.db2.gz IMUQYYIFERGGOJ-GOSISDBHSA-N 0 1 267.372 3.665 20 0 CHADMN CO[C@@H](CNCc1nc2ccc(F)cc2s1)CC(C)C ZINC000418106357 228054802 /nfs/dbraw/zinc/05/48/02/228054802.db2.gz ZJWPQTWOIHAHOV-GFCCVEGCSA-N 0 1 296.411 3.586 20 0 CHADMN CCc1nnc(CN[C@@H](C)CCC2CCCC2)s1 ZINC000353555587 228119641 /nfs/dbraw/zinc/11/96/41/228119641.db2.gz CWXUKTHFBHVFHJ-NSHDSACASA-N 0 1 267.442 3.549 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccc2n[nH]cc2c1 ZINC000353096334 228059022 /nfs/dbraw/zinc/05/90/22/228059022.db2.gz DPRYHWVQDLWMCZ-MNOVXSKESA-N 0 1 284.338 3.509 20 0 CHADMN Cc1cccc2c1OCC[C@@H]2NCc1ccccc1N(C)C ZINC000353234183 228072338 /nfs/dbraw/zinc/07/23/38/228072338.db2.gz HHIFPXUMPOHTLT-KRWDZBQOSA-N 0 1 296.414 3.674 20 0 CHADMN COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1ccoc1 ZINC000353308001 228083296 /nfs/dbraw/zinc/08/32/96/228083296.db2.gz ABGUCFHTSUJHBB-MRXNPFEDSA-N 0 1 271.360 3.800 20 0 CHADMN c1ccc(C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000353388201 228093812 /nfs/dbraw/zinc/09/38/12/228093812.db2.gz MKZODSTVFBTUMZ-QGZVFWFLSA-N 0 1 266.388 3.536 20 0 CHADMN Cc1ccnc([C@H](C)NCc2nccc3ccccc32)c1 ZINC000353393811 228094975 /nfs/dbraw/zinc/09/49/75/228094975.db2.gz KEGAEXHJKJVNEO-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN Cc1ccncc1CN1CCSC2(CCCCC2)C1 ZINC000353645154 228137351 /nfs/dbraw/zinc/13/73/51/228137351.db2.gz BGJZKIHPZOJLMK-UHFFFAOYSA-N 0 1 276.449 3.642 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](CC(F)(F)F)C(C)C)no1 ZINC000353648487 228138921 /nfs/dbraw/zinc/13/89/21/228138921.db2.gz ZGNINDJFKZQQHS-ONGXEEELSA-N 0 1 264.291 3.611 20 0 CHADMN Cc1ccccc1C1CC(N(Cc2ccn(C)n2)C2CC2)C1 ZINC000353666174 228141689 /nfs/dbraw/zinc/14/16/89/228141689.db2.gz OCYITBMFMLCUCW-UHFFFAOYSA-N 0 1 295.430 3.639 20 0 CHADMN Cc1cccc(CN2CC(C)(C)[C@H]2c2ccncc2)c1 ZINC000353707588 228146630 /nfs/dbraw/zinc/14/66/30/228146630.db2.gz FEOAMHJTKJQNCO-QGZVFWFLSA-N 0 1 266.388 3.973 20 0 CHADMN Cc1cc(-c2nnc(CN3CCC[C@@H](C)[C@@H]3C)o2)c(C)o1 ZINC000336190006 228208985 /nfs/dbraw/zinc/20/89/85/228208985.db2.gz RVQAHKRKGGDVNQ-PWSUYJOCSA-N 0 1 289.379 3.567 20 0 CHADMN Cc1cc(-c2nnc(CN3CCC[C@H](C)[C@@H]3C)o2)c(C)o1 ZINC000336190005 228209127 /nfs/dbraw/zinc/20/91/27/228209127.db2.gz RVQAHKRKGGDVNQ-JQWIXIFHSA-N 0 1 289.379 3.567 20 0 CHADMN CO[C@@H](C)CN(Cc1nc2c(s1)C[C@H](C)CC2)C(C)C ZINC000353802576 228154521 /nfs/dbraw/zinc/15/45/21/228154521.db2.gz BSHXWIJBPRQHGD-OLZOCXBDSA-N 0 1 296.480 3.513 20 0 CHADMN Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2O)c(C)o1 ZINC000353886557 228162895 /nfs/dbraw/zinc/16/28/95/228162895.db2.gz GZYOLIDFUVXKIZ-UHFFFAOYSA-N 0 1 283.686 3.647 20 0 CHADMN C[C@H](N[C@H]1CCCOc2ccc(F)cc21)c1cccnc1 ZINC000335946934 228168973 /nfs/dbraw/zinc/16/89/73/228168973.db2.gz OSAIKASZOXVGAP-LRDDRELGSA-N 0 1 286.350 3.785 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@H](C)C3(CCCCC3)C2)o1 ZINC000336029501 228179593 /nfs/dbraw/zinc/17/95/93/228179593.db2.gz CKNXPQQMQXGBNN-STQMWFEESA-N 0 1 277.412 3.731 20 0 CHADMN C[C@H]1CCC[C@@H](c2nc(-c3ccn4cncc4c3)no2)C1 ZINC000333344510 228197605 /nfs/dbraw/zinc/19/76/05/228197605.db2.gz UIUWLTQQNJQQSV-WCQYABFASA-N 0 1 282.347 3.678 20 0 CHADMN Fc1cncc(CN[C@@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000336213434 228215113 /nfs/dbraw/zinc/21/51/13/228215113.db2.gz UYUYNMMGHRIFBD-MRXNPFEDSA-N 0 1 292.304 3.666 20 0 CHADMN C[C@H]1CC[C@@H](C(=O)Nc2cc(Cl)c(O)cc2F)C1 ZINC000335955404 533684094 /nfs/dbraw/zinc/68/40/94/533684094.db2.gz KUNKTDYWYYPVKY-JGVFFNPUSA-N 0 1 271.719 3.559 20 0 CHADMN CN(Cc1c[nH]nc1-c1ccccc1)Cc1ccc(F)cc1 ZINC000179646349 260060420 /nfs/dbraw/zinc/06/04/20/260060420.db2.gz PYLAULSCGABQIV-UHFFFAOYSA-N 0 1 295.361 3.848 20 0 CHADMN Cc1nc(-c2cccc(NCc3cn[nH]c3C)c2)cs1 ZINC000037047269 260066071 /nfs/dbraw/zinc/06/60/71/260066071.db2.gz OYUHAVIBIIWRPZ-UHFFFAOYSA-N 0 1 284.388 3.762 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)[C@H](C)C(C)C)c2C1 ZINC000179767263 260068252 /nfs/dbraw/zinc/06/82/52/260068252.db2.gz CHWNMIVVFGLDQN-CQSZACIVSA-N 0 1 288.435 3.889 20 0 CHADMN COc1cccc(CNCc2ccc([C@H]3C[C@@H]3C)o2)c1 ZINC000037488884 260110163 /nfs/dbraw/zinc/11/01/63/260110163.db2.gz UMXRFNXUWZVRCK-LRDDRELGSA-N 0 1 271.360 3.701 20 0 CHADMN COCc1ccccc1CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000037500108 260113544 /nfs/dbraw/zinc/11/35/44/260113544.db2.gz KPZVPNWNWRARLN-CXAGYDPISA-N 0 1 285.387 3.839 20 0 CHADMN COCc1ccccc1CN[C@@H](C)c1ccc(F)cc1F ZINC000037762629 260116565 /nfs/dbraw/zinc/11/65/65/260116565.db2.gz BEZFYGPZLLSAAA-LBPRGKRZSA-N 0 1 291.341 3.962 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCC[C@H]1CC ZINC000037914555 260119964 /nfs/dbraw/zinc/11/99/64/260119964.db2.gz JJPWHRPNXKRBNT-MRXNPFEDSA-N 0 1 275.392 3.662 20 0 CHADMN CO[C@@H]1CCC[C@H]1NCc1cc(Cl)sc1Cl ZINC000312580383 260157403 /nfs/dbraw/zinc/15/74/03/260157403.db2.gz LEQFVPQMJXBSOW-RKDXNWHRSA-N 0 1 280.220 3.712 20 0 CHADMN CCC[C@](C)(O)CNCc1cc(Cl)sc1Cl ZINC000312584067 260159960 /nfs/dbraw/zinc/15/99/60/260159960.db2.gz OVCXNOMWOGQENG-NSHDSACASA-N 0 1 282.236 3.696 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1scnc1C ZINC000071212437 260160511 /nfs/dbraw/zinc/16/05/11/260160511.db2.gz GCVVNIJSDIIYRT-LLVKDONJSA-N 0 1 276.405 3.619 20 0 CHADMN CC(C)C[C@H](NCc1ccc(CO)o1)c1ccccc1 ZINC000077897852 260167283 /nfs/dbraw/zinc/16/72/83/260167283.db2.gz NSJVLUVAWUMMJD-KRWDZBQOSA-N 0 1 273.376 3.649 20 0 CHADMN CC(C)C[C@@H](NCc1ccc(CO)o1)c1ccccc1 ZINC000077897853 260167428 /nfs/dbraw/zinc/16/74/28/260167428.db2.gz NSJVLUVAWUMMJD-QGZVFWFLSA-N 0 1 273.376 3.649 20 0 CHADMN Clc1ccc(CNCc2cccc3cccnc32)o1 ZINC000078505915 260167946 /nfs/dbraw/zinc/16/79/46/260167946.db2.gz NJNQMKMLNWTHNK-UHFFFAOYSA-N 0 1 272.735 3.771 20 0 CHADMN COC[C@@H](NCc1cc(Cl)sc1Cl)C1CC1 ZINC000309481256 260170763 /nfs/dbraw/zinc/17/07/63/260170763.db2.gz TXJSFERBZSPESK-SECBINFHSA-N 0 1 280.220 3.570 20 0 CHADMN Cc1nc(C)c(CN[C@@H](C)c2ccc(F)cc2F)s1 ZINC000080692743 260181671 /nfs/dbraw/zinc/18/16/71/260181671.db2.gz ACZNLCHHJJTQEC-QMMMGPOBSA-N 0 1 282.359 3.889 20 0 CHADMN COCc1ccccc1CNCc1ccsc1Cl ZINC000312619059 260183842 /nfs/dbraw/zinc/18/38/42/260183842.db2.gz STIMUHYEONDPIF-UHFFFAOYSA-N 0 1 281.808 3.838 20 0 CHADMN CO[C@@H](CNCc1csc(Cl)c1Cl)C(C)C ZINC000309666227 260184445 /nfs/dbraw/zinc/18/44/45/260184445.db2.gz UFNKBKZWNVJWDK-VIFPVBQESA-N 0 1 282.236 3.816 20 0 CHADMN CCOCC(C)(C)NCc1cc(Cl)sc1Cl ZINC000312623959 260185410 /nfs/dbraw/zinc/18/54/10/260185410.db2.gz MJDPWSZSCAAXFD-UHFFFAOYSA-N 0 1 282.236 3.960 20 0 CHADMN Clc1sccc1CNc1ccc2c(n1)CCC2 ZINC000312756411 260197900 /nfs/dbraw/zinc/19/79/00/260197900.db2.gz CQDPGIZYOYWLNR-UHFFFAOYSA-N 0 1 264.781 3.897 20 0 CHADMN CCCN(CC)Cc1cc(OC)ccc1Br ZINC000087797897 260228051 /nfs/dbraw/zinc/22/80/51/260228051.db2.gz BCWISAFAWWHRPQ-UHFFFAOYSA-N 0 1 286.213 3.690 20 0 CHADMN Cc1ccc([C@H](C)NCc2cnn(C(C)C)c2)cc1F ZINC000088765788 260234586 /nfs/dbraw/zinc/23/45/86/260234586.db2.gz YELNSKUCNNDTPH-ZDUSSCGKSA-N 0 1 275.371 3.762 20 0 CHADMN CC1(C)COC[C@H]1NCc1cc(Cl)sc1Cl ZINC000313120525 260250884 /nfs/dbraw/zinc/25/08/84/260250884.db2.gz KRIWJMRYAAGBRE-MRVPVSSYSA-N 0 1 280.220 3.570 20 0 CHADMN NC1(c2noc(-c3ccc(F)c(Cl)c3)n2)CCCCC1 ZINC000212911562 260256935 /nfs/dbraw/zinc/25/69/35/260256935.db2.gz YDMDWBNKZGONMR-UHFFFAOYSA-N 0 1 295.745 3.647 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccncc2Cl)cc1 ZINC000090340185 260257797 /nfs/dbraw/zinc/25/77/97/260257797.db2.gz CBRYRRIBLJDWJL-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN CCOCc1ccccc1CN[C@@H](C)c1ccc(F)cn1 ZINC000092196151 260267897 /nfs/dbraw/zinc/26/78/97/260267897.db2.gz WVTXEDXBNZLKDN-ZDUSSCGKSA-N 0 1 288.366 3.608 20 0 CHADMN CCc1nn(C)cc1CN[C@H](C)c1ccc(SC)cc1 ZINC000092367859 260269168 /nfs/dbraw/zinc/26/91/68/260269168.db2.gz UPABVVGEMYPRGE-GFCCVEGCSA-N 0 1 289.448 3.555 20 0 CHADMN OCC[C@@H](NCc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000077468222 260297347 /nfs/dbraw/zinc/29/73/47/260297347.db2.gz SZOQGAFQVANEJZ-MRXNPFEDSA-N 0 1 293.769 3.692 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCCN1Cc1cc(F)ccc1Cl ZINC000126467073 260351923 /nfs/dbraw/zinc/35/19/23/260351923.db2.gz YAENWYKNZHKIGE-RISCZKNCSA-N 0 1 285.790 3.605 20 0 CHADMN Cc1ccc(CNCc2ccc3ccccc3n2)cc1F ZINC000518276840 260366938 /nfs/dbraw/zinc/36/69/38/260366938.db2.gz VWRAUMSOUNURKA-UHFFFAOYSA-N 0 1 280.346 3.972 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@H]1CCc2sc(Cl)cc21 ZINC000129710145 260389082 /nfs/dbraw/zinc/38/90/82/260389082.db2.gz ZOCQGFNTLBTJLL-LBPRGKRZSA-N 0 1 295.839 3.529 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cncs2)cc1OC ZINC000129626532 260389663 /nfs/dbraw/zinc/38/96/63/260389663.db2.gz MDESNRUUUCFULX-MNOVXSKESA-N 0 1 292.404 3.572 20 0 CHADMN C[C@@H](NCCc1csc(C(C)(C)C)n1)c1nccs1 ZINC000090948749 260469779 /nfs/dbraw/zinc/46/97/79/260469779.db2.gz QYWSJMBGKABSHV-SNVBAGLBSA-N 0 1 295.477 3.790 20 0 CHADMN FCC(CF)N[C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000449381018 260471557 /nfs/dbraw/zinc/47/15/57/260471557.db2.gz QCZAPPVYRISXAE-GXTWGEPZSA-N 0 1 273.754 3.873 20 0 CHADMN C[C@@H](N[C@@H](C)COc1ccc(F)cc1F)c1nccs1 ZINC000093400715 260516684 /nfs/dbraw/zinc/51/66/84/260516684.db2.gz JVWOKVWOUCBCDS-VHSXEESVSA-N 0 1 298.358 3.539 20 0 CHADMN COc1cccc(C2(NCc3cccc(F)c3)CC2)c1 ZINC000150889564 260974835 /nfs/dbraw/zinc/97/48/35/260974835.db2.gz SADYRBZZTJMRFE-UHFFFAOYSA-N 0 1 271.335 3.613 20 0 CHADMN C[C@@H](NCc1ccc(N2CCCCC2=O)cc1)c1ccco1 ZINC000151049210 260976825 /nfs/dbraw/zinc/97/68/25/260976825.db2.gz RXHWUGAWAFRFNJ-CQSZACIVSA-N 0 1 298.386 3.647 20 0 CHADMN Fc1ccc(CNC2(c3cccc(F)c3)CC2)cc1 ZINC000152856140 261070598 /nfs/dbraw/zinc/07/05/98/261070598.db2.gz BPFPGHSTNGDHDE-UHFFFAOYSA-N 0 1 259.299 3.744 20 0 CHADMN C[C@@H](NC[C@@H]1CCCO1)c1nc(-c2ccccc2)cs1 ZINC000153143175 261074285 /nfs/dbraw/zinc/07/42/85/261074285.db2.gz SMNRIPBFZWQFSO-OCCSQVGLSA-N 0 1 288.416 3.640 20 0 CHADMN COc1ccc(CN2CCC[C@H]2c2ccsc2)cc1O ZINC000153543086 261079765 /nfs/dbraw/zinc/07/97/65/261079765.db2.gz LXQZJAOLPYFCCW-AWEZNQCLSA-N 0 1 289.400 3.799 20 0 CHADMN Cc1cc(CN2CCC(C)(c3ccccc3)CC2)no1 ZINC000153643464 261081499 /nfs/dbraw/zinc/08/14/99/261081499.db2.gz HSVCUKNVWPFIFL-UHFFFAOYSA-N 0 1 270.376 3.537 20 0 CHADMN Fc1cnccc1CN1CCC[C@H]1c1ccccc1 ZINC000449010347 261084761 /nfs/dbraw/zinc/08/47/61/261084761.db2.gz SKQVHHGCIWFZLO-INIZCTEOSA-N 0 1 256.324 3.558 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)c1cncs1 ZINC000154052234 261087301 /nfs/dbraw/zinc/08/73/01/261087301.db2.gz TZSBUYRCNIIURV-QWHCGFSZSA-N 0 1 298.415 3.741 20 0 CHADMN CCN(Cc1ccccc1Cl)CC1=CCCOC1 ZINC000154173799 261088700 /nfs/dbraw/zinc/08/87/00/261088700.db2.gz YLTVUIMDRQPUBE-UHFFFAOYSA-N 0 1 265.784 3.509 20 0 CHADMN CN(Cc1nnc(-c2ccccc2)s1)CC1CCCC1 ZINC000155138738 261098756 /nfs/dbraw/zinc/09/87/56/261098756.db2.gz KUDFSGWUQQYRCF-UHFFFAOYSA-N 0 1 287.432 3.827 20 0 CHADMN CC(C)(C)c1cnc(CN2CC[C@H]3CCC[C@H]32)s1 ZINC000448333497 261117743 /nfs/dbraw/zinc/11/77/43/261117743.db2.gz CDVBHAWEEZENOK-VXGBXAGGSA-N 0 1 264.438 3.815 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1ncc(C(C)(C)C)s1 ZINC000448336943 261118327 /nfs/dbraw/zinc/11/83/27/261118327.db2.gz JZMIBBUSYYFEPS-WDEREUQCSA-N 0 1 252.427 3.671 20 0 CHADMN CN(CCC1CC1)Cc1ncc(C(C)(C)C)s1 ZINC000448339078 261119241 /nfs/dbraw/zinc/11/92/41/261119241.db2.gz JIYFKLDYOBSFHU-UHFFFAOYSA-N 0 1 252.427 3.673 20 0 CHADMN C[C@@H](O)C[C@H]1CCCCN1Cc1cc(F)cc(Cl)c1 ZINC000448368390 261130900 /nfs/dbraw/zinc/13/09/00/261130900.db2.gz VLGAAYUBSWIFQX-IAQYHMDHSA-N 0 1 285.790 3.605 20 0 CHADMN CC(C)[C@H](NCc1ccncc1F)c1ccccc1 ZINC000449068293 261147153 /nfs/dbraw/zinc/14/71/53/261147153.db2.gz RQULDNJVXDYVQR-INIZCTEOSA-N 0 1 258.340 3.708 20 0 CHADMN Cc1ccc2ncc(CN(C)[C@H](C)c3cccs3)n2c1 ZINC000157872198 261154728 /nfs/dbraw/zinc/15/47/28/261154728.db2.gz ATVOJKLPMFGUPU-CYBMUJFWSA-N 0 1 285.416 3.897 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(-n3cncn3)cc2)o1 ZINC000158188947 261161084 /nfs/dbraw/zinc/16/10/84/261161084.db2.gz LZCIYLWEBQMNQR-ZIAGYGMSSA-N 0 1 296.374 3.581 20 0 CHADMN CC[C@H](NCc1cccc(OC)n1)c1ccc(Cl)cc1 ZINC000174023704 261176777 /nfs/dbraw/zinc/17/67/77/261176777.db2.gz HRMJXTLJHWONGZ-HNNXBMFYSA-N 0 1 290.794 3.985 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cccc3ccccc32)[C@H]1C(=O)[O-] ZINC000300295491 261190084 /nfs/dbraw/zinc/19/00/84/261190084.db2.gz OUZXAYMNIWBBJU-CXAGYDPISA-N 0 1 283.371 3.525 20 0 CHADMN COCC1(CN2CC[C@@](F)(c3ccccc3F)C2)CCC1 ZINC000361376616 261228312 /nfs/dbraw/zinc/22/83/12/261228312.db2.gz HDJRKTWJPNLGEG-KRWDZBQOSA-N 0 1 295.373 3.513 20 0 CHADMN Cc1nnc([C@H](C)N[C@H]2CCC[C@H]2CCC(C)C)o1 ZINC000249032391 261236933 /nfs/dbraw/zinc/23/69/33/261236933.db2.gz LUGJMJMJSNCNLA-UBHSHLNASA-N 0 1 265.401 3.634 20 0 CHADMN CCOc1ccccc1CN(C)Cc1cccs1 ZINC000102672567 261270500 /nfs/dbraw/zinc/27/05/00/261270500.db2.gz VGCLJSPNIWVKKM-UHFFFAOYSA-N 0 1 261.390 3.779 20 0 CHADMN Cc1cccc2nc(CCC(=O)NCC3(C)CCCC3)[nH]c21 ZINC000176348970 261278795 /nfs/dbraw/zinc/27/87/95/261278795.db2.gz GZCCRKHCGVQXAT-UHFFFAOYSA-N 0 1 299.418 3.500 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@H](C)c1cnc(C)nc1C ZINC000162374784 261279267 /nfs/dbraw/zinc/27/92/67/261279267.db2.gz FIEOYCJLJRNOCP-QWHCGFSZSA-N 0 1 299.418 3.822 20 0 CHADMN CC(C)(C)OC1CCN(Cc2ccc(F)cc2)CC1 ZINC000162425589 261281352 /nfs/dbraw/zinc/28/13/52/261281352.db2.gz WUENTHDOMYVYDI-UHFFFAOYSA-N 0 1 265.372 3.605 20 0 CHADMN C[C@H](CNc1ccc(Cl)cn1)[N@@H+](C)Cc1ccccc1 ZINC000301468761 261334643 /nfs/dbraw/zinc/33/46/43/261334643.db2.gz ZKYSRELPLPGTIL-CYBMUJFWSA-N 0 1 289.810 3.667 20 0 CHADMN CCc1nc(CNC2CC(c3ccccc3)C2)cs1 ZINC000105492317 261359156 /nfs/dbraw/zinc/35/91/56/261359156.db2.gz MGYRREOCIUHMJB-UHFFFAOYSA-N 0 1 272.417 3.741 20 0 CHADMN CCCN(Cc1nc(C)c(C)s1)C[C@@H]1CCCCO1 ZINC000177739579 261367458 /nfs/dbraw/zinc/36/74/58/261367458.db2.gz WFMQQYIBFPEGRR-AWEZNQCLSA-N 0 1 282.453 3.541 20 0 CHADMN Cc1cnc(CN[C@@H]2CCCc3ccc(C)cc32)s1 ZINC000166715945 261392143 /nfs/dbraw/zinc/39/21/43/261392143.db2.gz MISRDMKOUFAWST-OAHLLOKOSA-N 0 1 272.417 3.927 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N[C@@H](C)c1ncc(C)o1 ZINC000462796780 261657145 /nfs/dbraw/zinc/65/71/45/261657145.db2.gz WTFZKTAREIFHJB-HOCLYGCPSA-N 0 1 272.392 3.963 20 0 CHADMN C[C@@H](O)c1ccc(CN[C@H](C)c2cc(F)ccc2F)cc1 ZINC000178544721 261748582 /nfs/dbraw/zinc/74/85/82/261748582.db2.gz ZGFWZKWJWDPLHF-VXGBXAGGSA-N 0 1 291.341 3.869 20 0 CHADMN CCN(c1ccc(N[C@@H](C)c2cnccn2)cc1)C(C)C ZINC000182773164 261950963 /nfs/dbraw/zinc/95/09/63/261950963.db2.gz PUGDBGQQINFLDQ-AWEZNQCLSA-N 0 1 284.407 3.884 20 0 CHADMN c1ccc(C[C@@H](NCc2cccnn2)c2ccccc2)cc1 ZINC000318621401 262014447 /nfs/dbraw/zinc/01/44/47/262014447.db2.gz YSSPSDXGDKQOBN-LJQANCHMSA-N 0 1 289.382 3.550 20 0 CHADMN Cc1cncc([C@H](C)NC2(c3cccc(F)c3)CC2)c1 ZINC000184445715 262020621 /nfs/dbraw/zinc/02/06/21/262020621.db2.gz RRSRSEHBCGEGRA-ZDUSSCGKSA-N 0 1 270.351 3.869 20 0 CHADMN CC(C)(C)c1ccc(CN[C@H](CCO)c2ccco2)cc1 ZINC000184504679 262021497 /nfs/dbraw/zinc/02/14/97/262021497.db2.gz DQZKNQSDRSWCJD-MRXNPFEDSA-N 0 1 287.403 3.790 20 0 CHADMN CCCOc1ncccc1CN[C@H](CCC)c1cccnc1 ZINC000185143046 262043293 /nfs/dbraw/zinc/04/32/93/262043293.db2.gz CSVJDRMOWFWCTR-QGZVFWFLSA-N 0 1 299.418 3.896 20 0 CHADMN CC[C@H](NCCCF)c1nc(C(F)(F)F)cs1 ZINC000185965445 262073302 /nfs/dbraw/zinc/07/33/02/262073302.db2.gz RNARWIKIHDPHAY-ZETCQYMHSA-N 0 1 270.295 3.562 20 0 CHADMN CC[C@@H](NCCCF)c1nc(C(F)(F)F)cs1 ZINC000185965460 262073497 /nfs/dbraw/zinc/07/34/97/262073497.db2.gz RNARWIKIHDPHAY-SSDOTTSWSA-N 0 1 270.295 3.562 20 0 CHADMN COc1ccsc1[C@H](C)N[C@H](C)c1cccnc1 ZINC000186083464 262079296 /nfs/dbraw/zinc/07/92/96/262079296.db2.gz FETUSNITHYEZLN-MNOVXSKESA-N 0 1 262.378 3.564 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1ccc(C)cc1OC ZINC000186193447 262083788 /nfs/dbraw/zinc/08/37/88/262083788.db2.gz MQAPPZSNQOBBRO-GFCCVEGCSA-N 0 1 291.416 3.925 20 0 CHADMN FC(F)(F)[C@H](CNCc1ccccn1)c1ccccc1 ZINC000186436814 262093565 /nfs/dbraw/zinc/09/35/65/262093565.db2.gz QNROIWSWHLHZQD-CQSZACIVSA-N 0 1 280.293 3.517 20 0 CHADMN C[C@H]1CC[C@H](N[C@@H](CCO)c2ccco2)c2ccccc21 ZINC000186514588 262096393 /nfs/dbraw/zinc/09/63/93/262096393.db2.gz YEELRKHEWDXWLE-JQFCIGGWSA-N 0 1 285.387 3.931 20 0 CHADMN Cc1cccc([C@@H](C)N[C@@H](CCO)c2ccco2)c1C ZINC000186510823 262096548 /nfs/dbraw/zinc/09/65/48/262096548.db2.gz SJPATQWNOKMBKS-ZBFHGGJFSA-N 0 1 273.376 3.671 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](CCO)c2ccco2)cc1C ZINC000186547750 262098153 /nfs/dbraw/zinc/09/81/53/262098153.db2.gz XHXAQGSQGWJONO-GDBMZVCRSA-N 0 1 273.376 3.671 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccco1)c1ccc2c(c1)CCCC2 ZINC000186557156 262098848 /nfs/dbraw/zinc/09/88/48/262098848.db2.gz OVXBGPZZWQMBTN-KBXCAEBGSA-N 0 1 299.414 3.933 20 0 CHADMN CC[C@H](CN(CC)Cc1ncc(C)o1)c1ccccc1 ZINC000186624409 262102448 /nfs/dbraw/zinc/10/24/48/262102448.db2.gz IRDZYGCEFTVHIO-OAHLLOKOSA-N 0 1 272.392 3.999 20 0 CHADMN C/C(=C/c1ccccc1)CNc1cnccc1-n1cccn1 ZINC000500399461 262146529 /nfs/dbraw/zinc/14/65/29/262146529.db2.gz QELHSFYQISIMKV-QINSGFPZSA-N 0 1 290.370 3.783 20 0 CHADMN Cc1ccc(CN(C)CCC(=O)c2ccc(C)cc2)o1 ZINC000053935267 262147538 /nfs/dbraw/zinc/14/75/38/262147538.db2.gz MTRURTZPPDCRGE-UHFFFAOYSA-N 0 1 271.360 3.601 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CCCC(C)(C)C1 ZINC000497415714 262157909 /nfs/dbraw/zinc/15/79/09/262157909.db2.gz HHQGWMFOWLFERW-UHFFFAOYSA-N 0 1 288.435 3.871 20 0 CHADMN COc1cccc(CN(C)[C@@H](C)c2cccc(Cl)c2)n1 ZINC000497435769 262160771 /nfs/dbraw/zinc/16/07/71/262160771.db2.gz GCXGVCWETZZZOT-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN COc1cccc(CN(C)[C@H](C)c2cccc(Cl)c2)n1 ZINC000497435767 262160817 /nfs/dbraw/zinc/16/08/17/262160817.db2.gz GCXGVCWETZZZOT-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN COc1cccc(CN(C)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000497512353 262171728 /nfs/dbraw/zinc/17/17/28/262171728.db2.gz YDFRPLHWUFIWKB-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1cncc(C)c1 ZINC000194939280 262243719 /nfs/dbraw/zinc/24/37/19/262243719.db2.gz BLKBSWYTUSEXET-CYBMUJFWSA-N 0 1 272.417 3.963 20 0 CHADMN CN(CCCF)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000364459461 262244110 /nfs/dbraw/zinc/24/41/10/262244110.db2.gz RRKDRRCGCIWFCC-OAHLLOKOSA-N 0 1 293.773 3.511 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccccc2C)c(F)c1 ZINC000221803562 262298533 /nfs/dbraw/zinc/29/85/33/262298533.db2.gz GKZOZOFLIUSSPN-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN CCc1cccc(CN(C)Cc2cnc(C)s2)c1 ZINC000188797627 262324188 /nfs/dbraw/zinc/32/41/88/262324188.db2.gz OAPPQXJLIHIMLS-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN C[C@@H]1C[C@@H]1CN(Cc1c(F)cccc1F)C1CC1 ZINC000488528277 262330182 /nfs/dbraw/zinc/33/01/82/262330182.db2.gz AAGXASPWMTZNGQ-GHMZBOCLSA-N 0 1 251.320 3.585 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccncc1OC)c1ccccc1 ZINC000187064659 262377589 /nfs/dbraw/zinc/37/75/89/262377589.db2.gz IEFHBCKUXKTWDY-XJKSGUPXSA-N 0 1 270.376 3.892 20 0 CHADMN Cc1cnc(CN[C@@H](C)c2ccc3c(c2)CCCC3)cn1 ZINC000061320313 262393617 /nfs/dbraw/zinc/39/36/17/262393617.db2.gz IYXOTJHQKFEPMQ-AWEZNQCLSA-N 0 1 281.403 3.515 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)C(C)(C)C)c1ccn(C)n1 ZINC000414054378 262797966 /nfs/dbraw/zinc/79/79/66/262797966.db2.gz BKVZYPDSKHEUBZ-CZUORRHYSA-N 0 1 271.408 3.858 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccc(F)cc1F ZINC000414280105 262835169 /nfs/dbraw/zinc/83/51/69/262835169.db2.gz CBJVAQYEAMYRIQ-GAJTVXKRSA-N 0 1 257.299 3.896 20 0 CHADMN Cc1occc1CN[C@H](c1ccccc1)C1(CO)CCCC1 ZINC000414463364 262948187 /nfs/dbraw/zinc/94/81/87/262948187.db2.gz RKOVWPDFCMHLHZ-GOSISDBHSA-N 0 1 299.414 3.972 20 0 CHADMN c1n[nH]c2c1CCC[C@H]2Nc1nc2ccccc2s1 ZINC000268796090 262957614 /nfs/dbraw/zinc/95/76/14/262957614.db2.gz BTYDMTFEQMRKSH-LLVKDONJSA-N 0 1 270.361 3.509 20 0 CHADMN CSc1cccc(-c2nc([C@@H](N)CC(C)C)no2)c1 ZINC000414613057 263009506 /nfs/dbraw/zinc/00/95/06/263009506.db2.gz DNAXZVALEVHDOU-LBPRGKRZSA-N 0 1 277.393 3.504 20 0 CHADMN Cc1ccc(Cl)cc1-c1nc([C@H](N)CC(C)C)no1 ZINC000414618350 263011823 /nfs/dbraw/zinc/01/18/23/263011823.db2.gz MJCIDSUOUAOVEI-GFCCVEGCSA-N 0 1 279.771 3.744 20 0 CHADMN CCC[C@@H](c1nc([C@@H](N)CC(C)C)no1)C(C)C ZINC000414618549 263011970 /nfs/dbraw/zinc/01/19/70/263011970.db2.gz JVVIZEYLYXAKKE-NEPJUHHUSA-N 0 1 253.390 3.655 20 0 CHADMN Cc1ccsc1[C@@H]1C[C@H]1c1nc([C@@H](N)CC(C)C)no1 ZINC000414619210 263012897 /nfs/dbraw/zinc/01/28/97/263012897.db2.gz NQMHOQJFFUXHBI-UTUOFQBUSA-N 0 1 291.420 3.757 20 0 CHADMN CC(C)Cc1ccc([C@H](C)c2nc(C3(N)CCC3)no2)cc1 ZINC000414623136 263014492 /nfs/dbraw/zinc/01/44/92/263014492.db2.gz DARJTEBSKUGGOS-ZDUSSCGKSA-N 0 1 299.418 3.758 20 0 CHADMN CC(C)C[C@@H](N)c1noc(Cc2cccc(C3CC3)c2)n1 ZINC000414627075 263016520 /nfs/dbraw/zinc/01/65/20/263016520.db2.gz RBCAUJQUTWHITG-OAHLLOKOSA-N 0 1 285.391 3.584 20 0 CHADMN Cc1ccc2nc(-c3nc([C@@H](N)CC(C)C)no3)ccc2c1 ZINC000414631211 263017321 /nfs/dbraw/zinc/01/73/21/263017321.db2.gz WNNRWAPXHFHVQM-ZDUSSCGKSA-N 0 1 296.374 3.639 20 0 CHADMN CC(C)c1cccc(Cc2nc(C3(N)CCCC3)no2)c1 ZINC000414631800 263017538 /nfs/dbraw/zinc/01/75/38/263017538.db2.gz XWKYGVYVWGVNIX-UHFFFAOYSA-N 0 1 285.391 3.512 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414675418 263030940 /nfs/dbraw/zinc/03/09/40/263030940.db2.gz GHXMNEHKVDCYKD-LESCRADOSA-N 0 1 289.419 3.682 20 0 CHADMN CC(C)(C)C[C@@H]1CCN(Cc2ncc(C3CC3)o2)C1 ZINC000452084412 263035205 /nfs/dbraw/zinc/03/52/05/263035205.db2.gz VBJAHLLQPOVOJU-LBPRGKRZSA-N 0 1 262.397 3.810 20 0 CHADMN COC[C@@H]1CCCN(Cc2cc(F)ccc2Cl)CC1 ZINC000452105656 263036965 /nfs/dbraw/zinc/03/69/65/263036965.db2.gz PNMUUGFSBPFQTB-GFCCVEGCSA-N 0 1 285.790 3.728 20 0 CHADMN Cc1nnc([C@H](C)N2C[C@H](c3ccccc3)C[C@H]2C)s1 ZINC000283048483 263080655 /nfs/dbraw/zinc/08/06/55/263080655.db2.gz IUNUCULVVGIQIO-TYNCELHUSA-N 0 1 287.432 3.786 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(C(C)C)oc1C ZINC000285504166 263093731 /nfs/dbraw/zinc/09/37/31/263093731.db2.gz BCJULTIVDJKINL-UHFFFAOYSA-N 0 1 297.305 3.933 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1NCc1cc[nH]n1 ZINC000285648609 263094715 /nfs/dbraw/zinc/09/47/15/263094715.db2.gz YFSJJJLYQTZNHL-UHFFFAOYSA-N 0 1 284.407 3.711 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cc(C)ccn1)c1ccncc1 ZINC000285991163 263096862 /nfs/dbraw/zinc/09/68/62/263096862.db2.gz ICKSIUCJKZLWGQ-DZGCQCFKSA-N 0 1 255.365 3.587 20 0 CHADMN CCC[C@@H](CNCc1nnc(CC)s1)c1ccccc1 ZINC000289888156 263112662 /nfs/dbraw/zinc/11/26/62/263112662.db2.gz SNBRJFCASPBZFI-AWEZNQCLSA-N 0 1 289.448 3.774 20 0 CHADMN CCc1noc(C)c1CN[C@H](C)c1cccc(C)c1 ZINC000340444501 263151093 /nfs/dbraw/zinc/15/10/93/263151093.db2.gz PPOQGMBTJUHANL-GFCCVEGCSA-N 0 1 258.365 3.705 20 0 CHADMN C[C@@H]1C[C@H]1[C@@H](NCc1cc[nH]n1)c1ccc(Cl)cc1 ZINC000295067580 263171777 /nfs/dbraw/zinc/17/17/77/263171777.db2.gz WAHLUGDJNAKENV-KMUNFCNLSA-N 0 1 275.783 3.550 20 0 CHADMN Cc1ccc(F)c(CNCc2ccc3c(c2)CCCN3)c1 ZINC000414979741 263179078 /nfs/dbraw/zinc/17/90/78/263179078.db2.gz OJXYNPZSDMUCOW-UHFFFAOYSA-N 0 1 284.378 3.782 20 0 CHADMN COc1nccc(CN[C@@H](c2ccccc2C)C(C)(C)C)n1 ZINC000295886427 263183408 /nfs/dbraw/zinc/18/34/08/263183408.db2.gz YGIMPMRIWQLSFO-INIZCTEOSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H]1C[C@H](C)n3ccnc31)CCC2 ZINC000297330645 263203336 /nfs/dbraw/zinc/20/33/36/263203336.db2.gz NXROGHIZZNZZJM-XKQJLSEDSA-N 0 1 281.403 3.865 20 0 CHADMN CCc1nc(C)c([C@H](C)NCc2cnccc2C)s1 ZINC000453335344 263240309 /nfs/dbraw/zinc/24/03/09/263240309.db2.gz XYHCBEDDJBJSJS-NSHDSACASA-N 0 1 275.421 3.568 20 0 CHADMN COc1ccc([C@@H](N[C@H](C)c2nccnc2C)C(C)C)cc1 ZINC000187711914 263267006 /nfs/dbraw/zinc/26/70/06/263267006.db2.gz CFFJGOPUTLGVKM-PBHICJAKSA-N 0 1 299.418 3.842 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000187785089 263270475 /nfs/dbraw/zinc/27/04/75/263270475.db2.gz NHGWAQSQLCOCOY-DZGCQCFKSA-N 0 1 299.418 3.984 20 0 CHADMN CC1(C)CC[C@@H](CN[C@H](c2ccccc2)c2ccccn2)O1 ZINC000187860210 263279096 /nfs/dbraw/zinc/27/90/96/263279096.db2.gz FGBHQKCIDHLSBE-FUHWJXTLSA-N 0 1 296.414 3.718 20 0 CHADMN CC1(C)CC[C@@H](CN[C@@H](c2ccccc2)c2ccccn2)O1 ZINC000187860164 263279229 /nfs/dbraw/zinc/27/92/29/263279229.db2.gz FGBHQKCIDHLSBE-WMZOPIPTSA-N 0 1 296.414 3.718 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000342377385 263426745 /nfs/dbraw/zinc/42/67/45/263426745.db2.gz ZKLABQOYBIMUKP-OKILXGFUSA-N 0 1 287.382 3.774 20 0 CHADMN CSc1cccc(NC(=O)CN2[C@H](C)CC[C@H]2C)c1C ZINC000342467833 263437042 /nfs/dbraw/zinc/43/70/42/263437042.db2.gz SBCIBPIGZKKHCZ-VXGBXAGGSA-N 0 1 292.448 3.528 20 0 CHADMN CCC(CC)c1cc(CN[C@@H]2CC[C@H]2SC)on1 ZINC000425337641 264006448 /nfs/dbraw/zinc/00/64/48/264006448.db2.gz AGTHJJASIPZZRC-TZMCWYRMSA-N 0 1 268.426 3.562 20 0 CHADMN CS[C@@H]1CC[C@@H]1N[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000425337030 264013179 /nfs/dbraw/zinc/01/31/79/264013179.db2.gz MHTAELRYSBCBDM-CGTJXYLNSA-N 0 1 298.455 3.963 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)c1C ZINC000330790951 264054107 /nfs/dbraw/zinc/05/41/07/264054107.db2.gz AHNJILXRIXSSAQ-HNNXBMFYSA-N 0 1 285.391 3.544 20 0 CHADMN CCCCCC(=O)N1CCCC[C@H]1c1n[nH]c(C(C)C)n1 ZINC000330885068 264062745 /nfs/dbraw/zinc/06/27/45/264062745.db2.gz QEXNOTPWYIPKBC-ZDUSSCGKSA-N 0 1 292.427 3.562 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C2CCC(C)(C)CC2)c1 ZINC000331243934 264177906 /nfs/dbraw/zinc/17/79/06/264177906.db2.gz SHKHINJMIXCVLE-UHFFFAOYSA-N 0 1 289.375 3.750 20 0 CHADMN Cc1cc(CN2CC(C)(C)C[C@@H]2c2ccccc2)no1 ZINC000425371402 264201895 /nfs/dbraw/zinc/20/18/95/264201895.db2.gz LFERGCGABBDTGO-MRXNPFEDSA-N 0 1 270.376 3.956 20 0 CHADMN FC(F)CC1CN(Cc2ccccc2OCC2CC2)C1 ZINC000425364903 264210776 /nfs/dbraw/zinc/21/07/76/264210776.db2.gz HVHSNRKOQBBOBI-UHFFFAOYSA-N 0 1 281.346 3.562 20 0 CHADMN CCOC(C)(C)CN[C@@H](C)c1csc(C(C)C)n1 ZINC000188687463 264235421 /nfs/dbraw/zinc/23/54/21/264235421.db2.gz HGGQOWXRICLNIU-NSHDSACASA-N 0 1 270.442 3.732 20 0 CHADMN CC(C)n1cncc1CN1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000425368873 264213558 /nfs/dbraw/zinc/21/35/58/264213558.db2.gz KVLBZXXIFGRLGP-VXGBXAGGSA-N 0 1 289.345 3.627 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H](C)c1ccc(C)cc1 ZINC000188785938 264242034 /nfs/dbraw/zinc/24/20/34/264242034.db2.gz LAXFJQWLAMCDFA-ZIAGYGMSSA-N 0 1 270.376 3.810 20 0 CHADMN CC[C@@H](C)N(C)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000188886495 264253859 /nfs/dbraw/zinc/25/38/59/264253859.db2.gz KWLUSJXDAAVRDD-CYBMUJFWSA-N 0 1 285.391 3.564 20 0 CHADMN Cc1cc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)co1 ZINC000188932653 264262151 /nfs/dbraw/zinc/26/21/51/264262151.db2.gz OLWRAFMHBXQQFQ-UHFFFAOYSA-N 0 1 291.257 3.654 20 0 CHADMN Fc1ccc(CN2CCC([C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000189175229 264281347 /nfs/dbraw/zinc/28/13/47/264281347.db2.gz RASZGQCBJIGUOB-INIZCTEOSA-N 0 1 297.801 3.870 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1N[C@@H](C)c1nc(C2CC2)no1 ZINC000189489326 264302582 /nfs/dbraw/zinc/30/25/82/264302582.db2.gz PPMHVYMRSYWDKB-CYZMBNFOSA-N 0 1 295.452 3.662 20 0 CHADMN CCC(CC)[N@H+](Cc1cc(C(=O)[O-])c(C)o1)CC(C)C ZINC000093309277 264305776 /nfs/dbraw/zinc/30/57/76/264305776.db2.gz VAYMOXUZJLTAKQ-UHFFFAOYSA-N 0 1 281.396 3.933 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)Nc1ccnc2cc(F)ccc21 ZINC000189600031 264310800 /nfs/dbraw/zinc/31/08/00/264310800.db2.gz FSRYXURNPXCOBK-SNVBAGLBSA-N 0 1 284.338 3.589 20 0 CHADMN C[C@@H](c1ccccc1)N(Cc1ncccn1)C1CCCC1 ZINC000425439889 264320564 /nfs/dbraw/zinc/32/05/64/264320564.db2.gz AWLNMZLAWGQUNZ-HNNXBMFYSA-N 0 1 281.403 3.982 20 0 CHADMN CC(C)CC[C@H]1CCC[C@H]1NCc1nc(C(F)F)no1 ZINC000425444656 264324448 /nfs/dbraw/zinc/32/44/48/264324448.db2.gz MUVVWAYVGYOECM-GHMZBOCLSA-N 0 1 287.354 3.702 20 0 CHADMN Cc1cncc(CN2CCC[C@H]2c2cccc(F)c2)c1 ZINC000189801091 264326768 /nfs/dbraw/zinc/32/67/68/264326768.db2.gz KEQWYLWPOKUDTO-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCc1nc(C(F)F)no1 ZINC000425458700 264330160 /nfs/dbraw/zinc/33/01/60/264330160.db2.gz NABPSJZBHALMQU-VWYCJHECSA-N 0 1 287.354 3.558 20 0 CHADMN C[C@@H](NCc1ccc(F)c(Cl)c1)c1cncs1 ZINC000130448084 264353947 /nfs/dbraw/zinc/35/39/47/264353947.db2.gz HRCOVXPMFMPUIM-MRVPVSSYSA-N 0 1 270.760 3.786 20 0 CHADMN CC(C)O[C@@H](CN1CCOC(C)(C)[C@@H]1C)c1ccccc1 ZINC000428393442 264369229 /nfs/dbraw/zinc/36/92/29/264369229.db2.gz OACOBIWOPLPIHX-RDJZCZTQSA-N 0 1 291.435 3.652 20 0 CHADMN Cc1nnc([C@H](C)NCC/C=C\c2ccccc2)s1 ZINC000391986703 265037448 /nfs/dbraw/zinc/03/74/48/265037448.db2.gz WKVXLAZWTUXVJS-GYGFLDJKSA-N 0 1 273.405 3.601 20 0 CHADMN CC(C)CC1(C)CCN(Cc2nccs2)CC1 ZINC000343987550 265050236 /nfs/dbraw/zinc/05/02/36/265050236.db2.gz ALXVEZYJBJHEFF-UHFFFAOYSA-N 0 1 252.427 3.791 20 0 CHADMN C[C@@H](c1cccc(F)c1)N1CCCc2occc2C1 ZINC000344295054 265056453 /nfs/dbraw/zinc/05/64/53/265056453.db2.gz PINKPADZEKCCHZ-LBPRGKRZSA-N 0 1 259.324 3.928 20 0 CHADMN CCc1ccc(CN2CCC[C@H]2c2ccco2)cn1 ZINC000347778908 265136823 /nfs/dbraw/zinc/13/68/23/265136823.db2.gz JWKXTHMZRCVACN-HNNXBMFYSA-N 0 1 256.349 3.574 20 0 CHADMN C[C@]1(CNCc2c(Cl)cccc2Cl)CCCO1 ZINC000094797025 265254711 /nfs/dbraw/zinc/25/47/11/265254711.db2.gz OWXURFQWTZPSAA-CYBMUJFWSA-N 0 1 274.191 3.652 20 0 CHADMN CCCN(C)CC(=O)N(CC)c1cccc2ccccc21 ZINC000520172460 265664660 /nfs/dbraw/zinc/66/46/60/265664660.db2.gz IRGVUZWVTCFIAI-UHFFFAOYSA-N 0 1 284.403 3.535 20 0 CHADMN CC[C@H](Cc1nc(-c2ccc3[nH]cnc3c2)no1)C(C)C ZINC000514639700 266024381 /nfs/dbraw/zinc/02/43/81/266024381.db2.gz UYYWPPBZNOCAPE-LLVKDONJSA-N 0 1 284.363 3.838 20 0 CHADMN COC[C@H]1CCCN(Cc2cscc2C(F)(F)F)C1 ZINC000356221050 266074957 /nfs/dbraw/zinc/07/49/57/266074957.db2.gz OKRLRRREOWCSNR-JTQLQIEISA-N 0 1 293.354 3.625 20 0 CHADMN O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1cn[nH]c1C1CC1 ZINC000356234699 266078783 /nfs/dbraw/zinc/07/87/83/266078783.db2.gz ZORLSKIKQXBLLW-UHFFFAOYSA-N 0 1 292.342 3.535 20 0 CHADMN Cc1cc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccc1F ZINC000356523623 266130987 /nfs/dbraw/zinc/13/09/87/266130987.db2.gz MCRSLIIQURSIEG-DLBZAZTESA-N 0 1 289.394 3.668 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1cccc(COC)c1 ZINC000356865093 266197513 /nfs/dbraw/zinc/19/75/13/266197513.db2.gz LBOZKXBUNWYDRL-AWEZNQCLSA-N 0 1 284.403 3.641 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@@H]1CCCc2occc21 ZINC000356908447 266209876 /nfs/dbraw/zinc/20/98/76/266209876.db2.gz XRXRIRUTUYGMSD-IUODEOHRSA-N 0 1 270.376 3.965 20 0 CHADMN Fc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc1F ZINC000356946782 266216942 /nfs/dbraw/zinc/21/69/42/266216942.db2.gz CDQWKYQEZGZGHS-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN CC(C)(C)C[C@@H]1CCCN1Cc1ncn(-c2ccccc2)n1 ZINC000356970902 266221122 /nfs/dbraw/zinc/22/11/22/266221122.db2.gz AXAWSZIROKEJMM-INIZCTEOSA-N 0 1 298.434 3.668 20 0 CHADMN C[C@H](C1CCC1)N(C)Cc1nccn1Cc1ccccc1 ZINC000357028137 266235578 /nfs/dbraw/zinc/23/55/78/266235578.db2.gz BMODRVBLBUNRPZ-OAHLLOKOSA-N 0 1 283.419 3.552 20 0 CHADMN CCc1ccc(CC(=O)Nc2ccc3nc(C)[nH]c3c2)cc1 ZINC000357035216 266236850 /nfs/dbraw/zinc/23/68/50/266236850.db2.gz WCRFWNRSLKYJEB-UHFFFAOYSA-N 0 1 293.370 3.615 20 0 CHADMN COC(=O)c1sccc1CN1CC[C@@H](C)C2(CCC2)C1 ZINC000357049647 266238486 /nfs/dbraw/zinc/23/84/86/266238486.db2.gz YJGVBLBNAJJLKU-GFCCVEGCSA-N 0 1 293.432 3.547 20 0 CHADMN c1cn(C2CCCC2)nc1CN1CCC[C@H]2CCC[C@H]21 ZINC000357272231 266269344 /nfs/dbraw/zinc/26/93/44/266269344.db2.gz LIGZXNGXCRWHKG-RHSMWYFYSA-N 0 1 273.424 3.763 20 0 CHADMN c1cn(C2CCCC2)nc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000357272229 266269356 /nfs/dbraw/zinc/26/93/56/266269356.db2.gz LIGZXNGXCRWHKG-PBHICJAKSA-N 0 1 273.424 3.763 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1csc([C@H](C)OC)n1 ZINC000357550989 266321929 /nfs/dbraw/zinc/32/19/29/266321929.db2.gz JFOYMWCHAHZQMH-GMXVVIOVSA-N 0 1 268.426 3.613 20 0 CHADMN C[C@H](c1noc(-c2cc(-c3cccs3)n[nH]2)n1)C1CC1 ZINC000357589606 266331597 /nfs/dbraw/zinc/33/15/97/266331597.db2.gz BYGRXEMLZCJSFJ-QMMMGPOBSA-N 0 1 286.360 3.702 20 0 CHADMN c1ccc(-c2n[nH]c(SCCCc3ccncc3)n2)cc1 ZINC000357726313 266351887 /nfs/dbraw/zinc/35/18/87/266351887.db2.gz DRMKVURTHWOWBB-UHFFFAOYSA-N 0 1 296.399 3.592 20 0 CHADMN Cc1cnccc1CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000228656726 266359413 /nfs/dbraw/zinc/35/94/13/266359413.db2.gz NBTQBGNNCXJPSG-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1ccc(C2CC2)cc1 ZINC000357805171 266367348 /nfs/dbraw/zinc/36/73/48/266367348.db2.gz XXDKIYLAPFEVEH-ZDUSSCGKSA-N 0 1 267.376 3.513 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000357910323 266383890 /nfs/dbraw/zinc/38/38/90/266383890.db2.gz FJIGQHDUHFJGDL-KGLIPLIRSA-N 0 1 299.418 3.593 20 0 CHADMN CC[C@H]1CC[C@H](C)N1C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000357910322 266383977 /nfs/dbraw/zinc/38/39/77/266383977.db2.gz FJIGQHDUHFJGDL-KBPBESRZSA-N 0 1 299.418 3.593 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1ccccc1F ZINC000358503274 266470491 /nfs/dbraw/zinc/47/04/91/266470491.db2.gz DVPPILIAFZFBTB-LBPRGKRZSA-N 0 1 258.340 3.634 20 0 CHADMN CSc1ccc2nc(-c3ccnn3C(C)C)[nH]c2c1 ZINC000358840086 266499541 /nfs/dbraw/zinc/49/95/41/266499541.db2.gz ISNOHSMBPKWJJJ-UHFFFAOYSA-N 0 1 272.377 3.729 20 0 CHADMN Cc1ccc([C@H](N[C@H](C)[C@@H]2CCCO2)c2ccccn2)cc1 ZINC000359012575 266522929 /nfs/dbraw/zinc/52/29/29/266522929.db2.gz FPBVLKYHEGLWRW-MNEFBYGVSA-N 0 1 296.414 3.637 20 0 CHADMN CCCN(CC)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000359128268 266539792 /nfs/dbraw/zinc/53/97/92/266539792.db2.gz HFNKUIWDRUBZBD-UHFFFAOYSA-N 0 1 279.771 3.622 20 0 CHADMN c1ccc([C@H]2C[C@H]2CSCc2n[nH]c(C3CC3)n2)cc1 ZINC000359503274 266592712 /nfs/dbraw/zinc/59/27/12/266592712.db2.gz HDWHREKGGYCPAE-UONOGXRCSA-N 0 1 285.416 3.719 20 0 CHADMN COCc1ccc(CNCc2ccc(C3CC3)cc2)o1 ZINC000359792049 266639727 /nfs/dbraw/zinc/63/97/27/266639727.db2.gz FKEMLSCMAXKYPB-UHFFFAOYSA-N 0 1 271.360 3.593 20 0 CHADMN COc1cc2c(cc1F)nccc2NC[C@@H]1CCSC1 ZINC000359838084 266644032 /nfs/dbraw/zinc/64/40/32/266644032.db2.gz OXTJJHOBVWOMDF-JTQLQIEISA-N 0 1 292.379 3.548 20 0 CHADMN CC(C)c1nc(CN(CCO)CC2CCCCC2)cs1 ZINC000362531192 267002346 /nfs/dbraw/zinc/00/23/46/267002346.db2.gz ZMAJOLSPUKYIQK-UHFFFAOYSA-N 0 1 296.480 3.641 20 0 CHADMN Cc1ccc(CN2CCc3c(C)cc(C)cc3C2)nc1 ZINC000362529953 267002425 /nfs/dbraw/zinc/00/24/25/267002425.db2.gz ULBDMDNFLNLRHM-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN CCC(C)(C)CC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000362552965 267006886 /nfs/dbraw/zinc/00/68/86/267006886.db2.gz RDYXFGYQTGTTKL-UHFFFAOYSA-N 0 1 259.353 3.636 20 0 CHADMN Cc1cc(CN(Cc2ccccc2)C(C)(C)C)nn1C ZINC000362950656 267065489 /nfs/dbraw/zinc/06/54/89/267065489.db2.gz GGFPWZHECIADDQ-UHFFFAOYSA-N 0 1 271.408 3.529 20 0 CHADMN CC(C)[C@@H](NCc1cncn1C)c1ccccc1Cl ZINC000115619926 267101395 /nfs/dbraw/zinc/10/13/95/267101395.db2.gz MPBKWHQJZGYITQ-OAHLLOKOSA-N 0 1 277.799 3.560 20 0 CHADMN CSc1cc(C)ccc1CN[C@@H]1CCCc2n[nH]cc21 ZINC000367601531 267103508 /nfs/dbraw/zinc/10/35/08/267103508.db2.gz OEMFWCNCIDXPBS-CQSZACIVSA-N 0 1 287.432 3.607 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cc(C)c(O)c(C)c1)CO2 ZINC000368020755 267135154 /nfs/dbraw/zinc/13/51/54/267135154.db2.gz WXLFOLFBTILTLA-INIZCTEOSA-N 0 1 283.371 3.541 20 0 CHADMN Cc1c[nH]nc1CN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000368069193 267144000 /nfs/dbraw/zinc/14/40/00/267144000.db2.gz FGEYHOOUNMNEFD-CQSZACIVSA-N 0 1 292.386 3.631 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@@H](C)N1C[C@H]2CCCC[C@H]21 ZINC000368092488 267145444 /nfs/dbraw/zinc/14/54/44/267145444.db2.gz LECOFBOWIVYJLX-BZUAXINKSA-N 0 1 286.419 3.505 20 0 CHADMN Clc1ccc(CN2CCC([C@H]3CCOC3)CC2)s1 ZINC000368283078 267159273 /nfs/dbraw/zinc/15/92/73/267159273.db2.gz IHNWKQIIMREKAO-LBPRGKRZSA-N 0 1 285.840 3.650 20 0 CHADMN CC[C@@H](C)N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000368356695 267165343 /nfs/dbraw/zinc/16/53/43/267165343.db2.gz CVZQSNJYECHZDP-IAQYHMDHSA-N 0 1 277.799 3.551 20 0 CHADMN CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@H]2C2CC2)cs1 ZINC000369478569 267245780 /nfs/dbraw/zinc/24/57/80/267245780.db2.gz KHBMWUKKWRUCMI-FZMZJTMJSA-N 0 1 280.437 3.615 20 0 CHADMN CCO[C@@H](C)c1nc(CN2CCC[C@H]2C2CC2)cs1 ZINC000369478569 267245783 /nfs/dbraw/zinc/24/57/83/267245783.db2.gz KHBMWUKKWRUCMI-FZMZJTMJSA-N 0 1 280.437 3.615 20 0 CHADMN Cn1cccc1[C@@H]1CCCCN1CCC(F)(F)F ZINC000370008234 267283118 /nfs/dbraw/zinc/28/31/18/267283118.db2.gz HSUCFRVMDLZEGL-LBPRGKRZSA-N 0 1 260.303 3.505 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc2c(c1)CCC2 ZINC000370049856 267286088 /nfs/dbraw/zinc/28/60/88/267286088.db2.gz LKYZMVUPJDCUBA-SJKOYZFVSA-N 0 1 281.403 3.627 20 0 CHADMN c1nc(C2CCCC2)sc1CN1CCC12CCOCC2 ZINC000370085263 267290103 /nfs/dbraw/zinc/29/01/03/267290103.db2.gz UFTHUPDMTWBOKH-UHFFFAOYSA-N 0 1 292.448 3.556 20 0 CHADMN C[C@@H]1CC2(CCC2)CN1Cc1nc2ccc(F)cc2o1 ZINC000370497669 267323991 /nfs/dbraw/zinc/32/39/91/267323991.db2.gz CZEOHFIMGOHAIY-LLVKDONJSA-N 0 1 274.339 3.731 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2nc3ccc(F)cc3o2)C1 ZINC000119521603 267343495 /nfs/dbraw/zinc/34/34/95/267343495.db2.gz WZVPYWCYFJSTKM-MNOVXSKESA-N 0 1 262.328 3.587 20 0 CHADMN C[C@H]1CN(Cc2cccc(-c3ccncc3)c2)CC(C)(C)O1 ZINC000119533154 267343808 /nfs/dbraw/zinc/34/38/08/267343808.db2.gz CAVZXYJHLGQDBN-HNNXBMFYSA-N 0 1 296.414 3.748 20 0 CHADMN FC(F)n1c2ccccc2nc1CN1CC[C@@H](C2CC2)C1 ZINC000371307628 267387132 /nfs/dbraw/zinc/38/71/32/267387132.db2.gz GVEKCZPGKGXKFH-GFCCVEGCSA-N 0 1 291.345 3.663 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCC(OCC3CC3)CC2)o1 ZINC000371333971 267392664 /nfs/dbraw/zinc/39/26/64/267392664.db2.gz FOXJKPNFSXMLHL-DYVFJYSZSA-N 0 1 289.419 3.794 20 0 CHADMN CCS[C@H]1CCC[C@@H]1NCc1ncc(Cl)s1 ZINC000300391687 267399789 /nfs/dbraw/zinc/39/97/89/267399789.db2.gz UAJLXIWRHBZVEE-IUCAKERBSA-N 0 1 276.858 3.560 20 0 CHADMN CC1CCC(OC2CCN(Cc3cccnc3)CC2)CC1 ZINC000375904954 267920936 /nfs/dbraw/zinc/92/09/36/267920936.db2.gz RQGXZNUVHWYWSR-UHFFFAOYSA-N 0 1 288.435 3.641 20 0 CHADMN Brc1cscc1CN[C@@H]1C=CCCC1 ZINC000306604031 268055769 /nfs/dbraw/zinc/05/57/69/268055769.db2.gz YHOSNZVQQMFDBB-SNVBAGLBSA-N 0 1 272.211 3.709 20 0 CHADMN COc1cc([C@H](C)NCc2ccoc2)ccc1OC(F)F ZINC000171128927 327751837 /nfs/dbraw/zinc/75/18/37/327751837.db2.gz DWTCBFMRGKOXFS-JTQLQIEISA-N 0 1 297.301 3.740 20 0 CHADMN CCOc1ccc([C@H](C)NCc2ccoc2)cc1OCC ZINC000171126903 327751839 /nfs/dbraw/zinc/75/18/39/327751839.db2.gz RHOOEAGPZNGCQL-ZDUSSCGKSA-N 0 1 289.375 3.928 20 0 CHADMN CCCOc1ncccc1CN[C@@H](C)c1ccsc1 ZINC000178653762 327795573 /nfs/dbraw/zinc/79/55/73/327795573.db2.gz SXCLCUJCUXWPMF-LBPRGKRZSA-N 0 1 276.405 3.783 20 0 CHADMN CC[C@@H](NCc1cnc(C)s1)c1ccsc1 ZINC000382092350 327826089 /nfs/dbraw/zinc/82/60/89/327826089.db2.gz HODMMNLIDXZRLO-GFCCVEGCSA-N 0 1 252.408 3.754 20 0 CHADMN CC1CCC(O)(CN[C@H](c2ccco2)c2ccccc2)CC1 ZINC000388296707 327866795 /nfs/dbraw/zinc/86/67/95/327866795.db2.gz UKLPENOZOQOFQE-OBONGRFPSA-N 0 1 299.414 3.900 20 0 CHADMN CSc1ccc(OCCN[C@@H](C)c2nccs2)cc1 ZINC000184440565 327911062 /nfs/dbraw/zinc/91/10/62/327911062.db2.gz BLCHMDORPQAIAX-NSHDSACASA-N 0 1 294.445 3.595 20 0 CHADMN COc1ccccc1[C@H](C)NCc1ccc(C(C)(C)O)cc1 ZINC000186606164 327917282 /nfs/dbraw/zinc/91/72/82/327917282.db2.gz VYQUAYYVCOSHOD-AWEZNQCLSA-N 0 1 299.414 3.773 20 0 CHADMN CC[C@@H](NCc1ccc(COC)o1)c1ccc(C)cc1 ZINC000125097898 327995846 /nfs/dbraw/zinc/99/58/46/327995846.db2.gz HBPUSPCUZJUCFO-QGZVFWFLSA-N 0 1 273.376 3.975 20 0 CHADMN COc1cc(F)c(CNCc2sccc2C)cc1OC ZINC000563251900 328001725 /nfs/dbraw/zinc/00/17/25/328001725.db2.gz IETYMLLMESDHNR-UHFFFAOYSA-N 0 1 295.379 3.503 20 0 CHADMN Cc1ncc(CN[C@H](C)c2ccc3c(c2)CCCC3)cn1 ZINC000339283726 328004715 /nfs/dbraw/zinc/00/47/15/328004715.db2.gz LKVWOODNUHTLDD-CYBMUJFWSA-N 0 1 281.403 3.515 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@@H+](CC1(C(=O)[O-])CC1)C1CC1 ZINC000563278272 328006684 /nfs/dbraw/zinc/00/66/84/328006684.db2.gz PRASFWRYFRGEOW-LLVKDONJSA-N 0 1 293.794 3.730 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000563279891 328007286 /nfs/dbraw/zinc/00/72/86/328007286.db2.gz HTFOKUDJMKCFPA-MNOVXSKESA-N 0 1 281.783 3.516 20 0 CHADMN Cc1oc(C[N@H+](C)Cc2ccc(C)c(C)c2)cc1C(=O)[O-] ZINC000563281993 328007430 /nfs/dbraw/zinc/00/74/30/328007430.db2.gz HPUOUQAILLWEOF-UHFFFAOYSA-N 0 1 287.359 3.535 20 0 CHADMN Fc1ccc(Br)c(CN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000531548497 328014821 /nfs/dbraw/zinc/01/48/21/328014821.db2.gz PVMJYMYETLHFFI-PHIMTYICSA-N 0 1 298.199 3.820 20 0 CHADMN COCc1ccc(CNCc2cc3c(s2)CCCC3)o1 ZINC000531701411 328025966 /nfs/dbraw/zinc/02/59/66/328025966.db2.gz QNAOJAALISIWEJ-UHFFFAOYSA-N 0 1 291.416 3.656 20 0 CHADMN Cc1ccccc1[C@@H](CO)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000531738600 328029227 /nfs/dbraw/zinc/02/92/27/328029227.db2.gz FYFAXSKNSZKRAM-YVEFUNNKSA-N 0 1 291.341 3.657 20 0 CHADMN CC[C@H]1CN(Cc2ncc(C)cn2)CC[C@@H]1c1ccccc1 ZINC000534107455 328035765 /nfs/dbraw/zinc/03/57/65/328035765.db2.gz QWCQOZJKAHEOHC-WMZOPIPTSA-N 0 1 295.430 3.801 20 0 CHADMN Cc1cc(CN2CCOCC23CCCC3)c2ccccc2n1 ZINC000534230035 328040101 /nfs/dbraw/zinc/04/01/01/328040101.db2.gz DYYAVLYABJTPNK-UHFFFAOYSA-N 0 1 296.414 3.688 20 0 CHADMN CN(Cc1cscn1)C[C@@H]1CCCC(C)(C)C1 ZINC000534349598 328047640 /nfs/dbraw/zinc/04/76/40/328047640.db2.gz AHTYGFAEXMFGOC-GFCCVEGCSA-N 0 1 252.427 3.791 20 0 CHADMN CCCn1cc(CN(CC)Cc2ccc(C)cc2)cn1 ZINC000534336883 328049235 /nfs/dbraw/zinc/04/92/35/328049235.db2.gz WYEOVFRUUWJADS-UHFFFAOYSA-N 0 1 271.408 3.624 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000534381034 328050267 /nfs/dbraw/zinc/05/02/67/328050267.db2.gz ROTCZJJJXPNNNA-SWLSCSKDSA-N 0 1 295.373 3.774 20 0 CHADMN Cc1nc(CN[C@H](C)CSc2ccc(C)cc2)[nH]c1C ZINC000563439957 328065699 /nfs/dbraw/zinc/06/56/99/328065699.db2.gz NLSUXBJXVWSFQE-GFCCVEGCSA-N 0 1 289.448 3.605 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@@H+]2[C@H](C)[C@H](C(=O)[O-])CC[C@@H]2C)C1 ZINC000563454770 328067549 /nfs/dbraw/zinc/06/75/49/328067549.db2.gz HMWCXQULKQQREC-YIDVYQOGSA-N 0 1 281.440 3.776 20 0 CHADMN CC(C)CC1(C)CCN(C(=O)c2cc(C(C)C)[nH]n2)CC1 ZINC000563487529 328069387 /nfs/dbraw/zinc/06/93/87/328069387.db2.gz SBGNDMYKWXFKGS-UHFFFAOYSA-N 0 1 291.439 3.822 20 0 CHADMN CSc1ccc(CN2CCC(F)(F)[C@H](C)C2)cc1 ZINC000563481773 328069564 /nfs/dbraw/zinc/06/95/64/328069564.db2.gz GTGHLFJZNXTDGV-LLVKDONJSA-N 0 1 271.376 3.886 20 0 CHADMN CCC(CC)n1ccc(CN2CC[C@H](c3cccnc3)C2)n1 ZINC000571080036 328084689 /nfs/dbraw/zinc/08/46/89/328084689.db2.gz LMXAHTZLGSTVGE-INIZCTEOSA-N 0 1 298.434 3.629 20 0 CHADMN CCC(CC)n1ccc(CN2CC[C@@H](c3cccnc3)C2)n1 ZINC000571080037 328084719 /nfs/dbraw/zinc/08/47/19/328084719.db2.gz LMXAHTZLGSTVGE-MRXNPFEDSA-N 0 1 298.434 3.629 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1nccn1C(F)F)C1CC1 ZINC000170931038 329072291 /nfs/dbraw/zinc/07/22/91/329072291.db2.gz WAYJQLBNKXZREY-GHMZBOCLSA-N 0 1 271.355 3.677 20 0 CHADMN C[C@@H]1CC(C)(C)CN1Cc1ncc(C(C)(C)C)o1 ZINC000412043407 328102506 /nfs/dbraw/zinc/10/25/06/328102506.db2.gz NUKVOUQVVOJZGN-LLVKDONJSA-N 0 1 250.386 3.593 20 0 CHADMN CCc1nc(CN[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)cs1 ZINC000412064764 328103747 /nfs/dbraw/zinc/10/37/47/328103747.db2.gz FDAZVDSZEZHGMV-OLZOCXBDSA-N 0 1 296.480 3.777 20 0 CHADMN Fc1ccc(CN[C@@H]2CCC[C@@H]2F)cc1C(F)(F)F ZINC000571347820 328113465 /nfs/dbraw/zinc/11/34/65/328113465.db2.gz OSSBEROMQAYNGS-NWDGAFQWSA-N 0 1 279.252 3.825 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)c1 ZINC000571571795 328134489 /nfs/dbraw/zinc/13/44/89/328134489.db2.gz WZIOXACFPYBDLU-HNNXBMFYSA-N 0 1 299.370 3.748 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@H]1CS[C@@H](C)C1 ZINC000413518179 328147994 /nfs/dbraw/zinc/14/79/94/328147994.db2.gz NDSQWOJYJJOFIZ-VHSXEESVSA-N 0 1 292.379 3.688 20 0 CHADMN CC(C)(C)C(C)(C)[NH2+]Cc1cccc([O-])c1Cl ZINC000383116531 328150484 /nfs/dbraw/zinc/15/04/84/328150484.db2.gz GIJHNQZVKHBPSQ-UHFFFAOYSA-N 0 1 255.789 3.960 20 0 CHADMN CCn1cc(CNCc2ccc(C(F)(F)F)c(C)c2)cn1 ZINC000414355529 328154816 /nfs/dbraw/zinc/15/48/16/328154816.db2.gz AFGPDJHVAQIRRT-UHFFFAOYSA-N 0 1 297.324 3.520 20 0 CHADMN CCOc1c(Cl)cccc1CNc1nccn1CC ZINC000414307723 328154356 /nfs/dbraw/zinc/15/43/56/328154356.db2.gz VIDNNLXHKVFYPZ-UHFFFAOYSA-N 0 1 279.771 3.567 20 0 CHADMN CCCOCc1ccccc1CNCc1ccoc1C ZINC000414309211 328154498 /nfs/dbraw/zinc/15/44/98/328154498.db2.gz JBURTOWGXHRDOF-UHFFFAOYSA-N 0 1 273.376 3.804 20 0 CHADMN Cc1occc1CN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000414382596 328158769 /nfs/dbraw/zinc/15/87/69/328158769.db2.gz PKDNCKFGMOKRDU-HNNXBMFYSA-N 0 1 285.343 3.654 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2cccc(C)c2C)cn1 ZINC000414390388 328161399 /nfs/dbraw/zinc/16/13/99/328161399.db2.gz ITAVOEIUTMYDRP-AWEZNQCLSA-N 0 1 269.392 3.507 20 0 CHADMN Cc1occc1CNCc1oc2ccccc2c1C ZINC000414390390 328161415 /nfs/dbraw/zinc/16/14/15/328161415.db2.gz ITDWQMXKZNRTKO-UHFFFAOYSA-N 0 1 255.317 3.932 20 0 CHADMN CCc1ncc(CN(Cc2ccc(F)cc2)CC2CC2)cn1 ZINC000414399066 328164282 /nfs/dbraw/zinc/16/42/82/328164282.db2.gz UYRJTKSTKRDYNE-UHFFFAOYSA-N 0 1 299.393 3.590 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@@H]2CC(C)(C)C)cc1C(=O)[O-] ZINC000582671148 329122572 /nfs/dbraw/zinc/12/25/72/329122572.db2.gz HMVMPUCHCSBXTD-GFCCVEGCSA-N 0 1 279.380 3.687 20 0 CHADMN CCc1ncc(CN[C@@H]2CCc3ccc(C(C)C)cc32)cn1 ZINC000414432808 328169013 /nfs/dbraw/zinc/16/90/13/328169013.db2.gz MSTREYYGNBIXMX-GOSISDBHSA-N 0 1 295.430 3.940 20 0 CHADMN Cc1cc(CN2CC3(CCCCC3)[C@@H]2C(C)C)nn1C ZINC000414463664 328182648 /nfs/dbraw/zinc/18/26/48/328182648.db2.gz NZNMSQYIADGWEV-INIZCTEOSA-N 0 1 275.440 3.519 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCC(c3ccncn3)CC2)o1 ZINC000414470846 328184270 /nfs/dbraw/zinc/18/42/70/328184270.db2.gz NNKRQFMOVXFKPL-CJNGLKHVSA-N 0 1 297.402 3.573 20 0 CHADMN COc1cc([C@H](C)NCc2ccoc2)ccc1SC ZINC000268814904 328186198 /nfs/dbraw/zinc/18/61/98/328186198.db2.gz FUVCFDUFCSRBKV-NSHDSACASA-N 0 1 277.389 3.861 20 0 CHADMN CC1(C)Cc2occc2[C@H](N[C@@H](CO)c2ccccc2)C1 ZINC000269015906 328188600 /nfs/dbraw/zinc/18/86/00/328188600.db2.gz OKXPOFFWNRDFQY-CVEARBPZSA-N 0 1 285.387 3.616 20 0 CHADMN COc1ccsc1CNCc1cnccc1C(C)(C)C ZINC000414501346 328190007 /nfs/dbraw/zinc/19/00/07/328190007.db2.gz SCNJJGSGGZFOHX-UHFFFAOYSA-N 0 1 290.432 3.739 20 0 CHADMN CC1=C[C@H](C)C[C@H](CNCc2nccc(C(F)(F)F)n2)C1 ZINC000414503048 328190358 /nfs/dbraw/zinc/19/03/58/328190358.db2.gz HRMFKHBGMADSNX-JQWIXIFHSA-N 0 1 299.340 3.577 20 0 CHADMN CC[C@H](NCc1ccc(N(C)C)nc1)c1ccccc1F ZINC000272285964 328199745 /nfs/dbraw/zinc/19/97/45/328199745.db2.gz NIXKQMYQJSAEIS-INIZCTEOSA-N 0 1 287.382 3.528 20 0 CHADMN CCC[C@@](C)(CC)c1nc([C@@H](N)CC(C)C)no1 ZINC000414612294 328201327 /nfs/dbraw/zinc/20/13/27/328201327.db2.gz DKRMNVRXKTZHCH-SMDDNHRTSA-N 0 1 253.390 3.583 20 0 CHADMN Cc1ccc(C(F)(F)c2nc([C@H](N)CC(C)C)no2)cc1 ZINC000414620686 328204453 /nfs/dbraw/zinc/20/44/53/328204453.db2.gz QIUYYDLCUMGNTO-GFCCVEGCSA-N 0 1 295.333 3.564 20 0 CHADMN CC[C@H](CC(C)C)c1nc([C@H](N)CC(C)C)no1 ZINC000414617595 328203533 /nfs/dbraw/zinc/20/35/33/328203533.db2.gz JBIWZEDTZFOSOZ-VXGBXAGGSA-N 0 1 253.390 3.655 20 0 CHADMN CC[C@@H](C)[N@@H+](CCc1ccc(C(C)(C)C)cc1)CC(=O)[O-] ZINC000414676179 328213556 /nfs/dbraw/zinc/21/35/56/328213556.db2.gz GTOHVYGBHWVGGT-CQSZACIVSA-N 0 1 291.435 3.712 20 0 CHADMN CC(C)n1nccc1CNC(C)(C)c1ccc(F)c(F)c1 ZINC000279547738 328232835 /nfs/dbraw/zinc/23/28/35/328232835.db2.gz BAFHJERYLNESHR-UHFFFAOYSA-N 0 1 293.361 3.767 20 0 CHADMN CCN(Cc1nnc(-c2ccccc2)o1)CC(C)(C)C ZINC000291112924 328262540 /nfs/dbraw/zinc/26/25/40/328262540.db2.gz AGTQYSZIHCGIDH-UHFFFAOYSA-N 0 1 273.380 3.605 20 0 CHADMN CCC(=O)CCCN1CC(C)(C)[C@@H]1c1cccs1 ZINC000295205248 328285317 /nfs/dbraw/zinc/28/53/17/328285317.db2.gz OCKAQIFFDVWDNA-AWEZNQCLSA-N 0 1 265.422 3.890 20 0 CHADMN Cc1ncsc1CNCc1cc(C2CC2)ccc1F ZINC000295203863 328285476 /nfs/dbraw/zinc/28/54/76/328285476.db2.gz ZCOLTUONCUXKKT-UHFFFAOYSA-N 0 1 276.380 3.758 20 0 CHADMN CCOc1ncccc1CN[C@H](CC)c1cccc(F)c1 ZINC000187751947 328302372 /nfs/dbraw/zinc/30/23/72/328302372.db2.gz GMVVXUQQBNEPKF-MRXNPFEDSA-N 0 1 288.366 3.860 20 0 CHADMN CCOc1ncccc1CN[C@@H](CC)c1cccc(F)c1 ZINC000187751928 328302425 /nfs/dbraw/zinc/30/24/25/328302425.db2.gz GMVVXUQQBNEPKF-INIZCTEOSA-N 0 1 288.366 3.860 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)CC(=O)c2c[nH]c3ccccc23)C1 ZINC000049013315 328328699 /nfs/dbraw/zinc/32/86/99/328328699.db2.gz DUIKRTCNNTVQOQ-UONOGXRCSA-N 0 1 284.403 3.861 20 0 CHADMN CCCCC1CCC(Nc2ncnc3[nH]cnc32)CC1 ZINC000049056296 328329916 /nfs/dbraw/zinc/32/99/16/328329916.db2.gz MFJWJENJJDIOSK-UHFFFAOYSA-N 0 1 273.384 3.514 20 0 CHADMN Cc1ccc2nc(-c3cnn(-c4ccc(F)cc4)c3)[nH]c2c1 ZINC000534631002 328331473 /nfs/dbraw/zinc/33/14/73/328331473.db2.gz ZOMCWLQNTFDUKN-UHFFFAOYSA-N 0 1 292.317 3.863 20 0 CHADMN C[C@H]1CN(CCc2ccccc2)C[C@H](c2ccc(F)cc2)O1 ZINC000303833057 328359944 /nfs/dbraw/zinc/35/99/44/328359944.db2.gz ACLNYFFCBYOMIS-HNAYVOBHSA-N 0 1 299.389 3.830 20 0 CHADMN CN(CCC1CCCCC1)Cc1nc(-c2ccco2)no1 ZINC000101565705 328356955 /nfs/dbraw/zinc/35/69/55/328356955.db2.gz RVBKHHCGPUHAMA-UHFFFAOYSA-N 0 1 289.379 3.732 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCCC(C)(C)CC2)n1 ZINC000303882286 328364515 /nfs/dbraw/zinc/36/45/15/328364515.db2.gz JDVAYSCYVPWLIN-CYBMUJFWSA-N 0 1 279.428 3.985 20 0 CHADMN CCc1cc(CN[C@H]2CC(C)(C)c3ccccc32)on1 ZINC000531976725 328368923 /nfs/dbraw/zinc/36/89/23/328368923.db2.gz ZXFLQNXINAUGQD-INIZCTEOSA-N 0 1 270.376 3.749 20 0 CHADMN CCN(CCN[C@@H](C)c1cscn1)c1cccc(C)c1 ZINC000535065497 328382642 /nfs/dbraw/zinc/38/26/42/328382642.db2.gz UJBIENRCTUOJBB-AWEZNQCLSA-N 0 1 289.448 3.629 20 0 CHADMN C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000535069185 328383372 /nfs/dbraw/zinc/38/33/72/328383372.db2.gz ASVFZJXBHRXFAX-GFCCVEGCSA-N 0 1 283.350 3.895 20 0 CHADMN C[C@H](c1ccccc1F)N(C)Cc1ccc2[nH]cnc2c1 ZINC000535069185 328383377 /nfs/dbraw/zinc/38/33/77/328383377.db2.gz ASVFZJXBHRXFAX-GFCCVEGCSA-N 0 1 283.350 3.895 20 0 CHADMN C[C@H](c1ccccc1F)N(C)Cc1ccc2nc[nH]c2c1 ZINC000535069185 328383378 /nfs/dbraw/zinc/38/33/78/328383378.db2.gz ASVFZJXBHRXFAX-GFCCVEGCSA-N 0 1 283.350 3.895 20 0 CHADMN COc1ccc(CN2C[C@H](C)S[C@@H](C)C2)c(Cl)c1 ZINC000535085190 328386376 /nfs/dbraw/zinc/38/63/76/328386376.db2.gz AIXAFYQLZZIYKH-QWRGUYRKSA-N 0 1 285.840 3.674 20 0 CHADMN CC[C@H]1CCN(Cc2csc(Br)c2)C1 ZINC000532038444 328398605 /nfs/dbraw/zinc/39/86/05/328398605.db2.gz HNPZFOWBMAVYOP-VIFPVBQESA-N 0 1 274.227 3.743 20 0 CHADMN C[C@@H](O)[C@@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000305155261 328394486 /nfs/dbraw/zinc/39/44/86/328394486.db2.gz BYOOPNNZMBUXLE-GHMZBOCLSA-N 0 1 288.218 3.586 20 0 CHADMN Cc1ccc(-c2cc(CN3CC=C(C)CC3)on2)cc1 ZINC000535210210 328394925 /nfs/dbraw/zinc/39/49/25/328394925.db2.gz FYRYCEIZFFKLDF-UHFFFAOYSA-N 0 1 268.360 3.802 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1ccc2c(c1)COC2 ZINC000537963480 328455492 /nfs/dbraw/zinc/45/54/92/328455492.db2.gz MPXYEYSAWLCNTI-CQSZACIVSA-N 0 1 297.398 3.885 20 0 CHADMN C[C@@H](N[C@H]1CCc2cc(F)ccc21)c1ccncc1F ZINC000334503202 328488835 /nfs/dbraw/zinc/48/88/35/328488835.db2.gz LGCPWFLDJWDIFH-HWPZZCPQSA-N 0 1 274.314 3.698 20 0 CHADMN Cc1ccc(CN[C@H]2CCC(C)(C)c3ccccc32)nn1 ZINC000335477865 335093626 /nfs/dbraw/zinc/09/36/26/335093626.db2.gz XKUBOMOFCTUVHE-KRWDZBQOSA-N 0 1 281.403 3.687 20 0 CHADMN Clc1cccc(-c2cnc(CN3CCCCC3)o2)c1 ZINC000066404416 326822476 /nfs/dbraw/zinc/82/24/76/326822476.db2.gz DARLMDNBZXBRKR-UHFFFAOYSA-N 0 1 276.767 3.981 20 0 CHADMN CC[C@H](N[C@H](C)c1cccnc1)c1ccccc1OC ZINC000036995133 326833150 /nfs/dbraw/zinc/83/31/50/326833150.db2.gz FEUVQKBXYJZVQG-CJNGLKHVSA-N 0 1 270.376 3.892 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(Cl)c(F)c1)c1cn[nH]c1 ZINC000222521230 326836438 /nfs/dbraw/zinc/83/64/38/326836438.db2.gz SBHQLEQTGYXJLC-RKDXNWHRSA-N 0 1 267.735 3.614 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cccc3c1OCO3)CC2 ZINC000113310447 328601362 /nfs/dbraw/zinc/60/13/62/328601362.db2.gz QLQUVOLMYJUNKL-MRXNPFEDSA-N 0 1 281.355 3.501 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(C)cc2)c(OC)c1 ZINC000037770260 326861235 /nfs/dbraw/zinc/86/12/35/326861235.db2.gz QVOCHYDAZFIXLE-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN CCN(CC)CC(=O)N(C)c1ccc(-c2ccccc2)cc1 ZINC000530816898 326892392 /nfs/dbraw/zinc/89/23/92/326892392.db2.gz FGKTVXVQAFZLST-UHFFFAOYSA-N 0 1 296.414 3.658 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)C(C)(C)C)c1cnccn1 ZINC000070478406 326916964 /nfs/dbraw/zinc/91/69/64/326916964.db2.gz PZZNLILSBYRKRZ-CJNGLKHVSA-N 0 1 269.392 3.915 20 0 CHADMN C[C@@H](NCc1coc2ccccc12)c1cccnc1 ZINC000083601732 326937027 /nfs/dbraw/zinc/93/70/27/326937027.db2.gz ISCPHLPTWOCTQM-GFCCVEGCSA-N 0 1 252.317 3.679 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000263308603 327013642 /nfs/dbraw/zinc/01/36/42/327013642.db2.gz FXADONAOKYGISK-SUJAAXHWSA-N 0 1 279.424 3.530 20 0 CHADMN Cc1cc([C@H](C)N[C@H](CO)c2ccccc2C)cs1 ZINC000576109205 327017439 /nfs/dbraw/zinc/01/74/39/327017439.db2.gz CAPLIFLTNDDKQB-XJKSGUPXSA-N 0 1 275.417 3.749 20 0 CHADMN COc1ncccc1CNCc1ccc(CC(C)C)cc1 ZINC000088296625 327022002 /nfs/dbraw/zinc/02/20/02/327022002.db2.gz LAQJWHMMRRZDAY-UHFFFAOYSA-N 0 1 284.403 3.579 20 0 CHADMN CCc1cccc(CN(C)[C@H](C)c2ccccn2)c1 ZINC000189778696 327022105 /nfs/dbraw/zinc/02/21/05/327022105.db2.gz HRAQQPWQEWPBSY-CQSZACIVSA-N 0 1 254.377 3.837 20 0 CHADMN CCn1cncc1CN[C@H](C)c1cc2ccccc2o1 ZINC000090171177 327031712 /nfs/dbraw/zinc/03/17/12/327031712.db2.gz OUODLLHVAWMLLY-GFCCVEGCSA-N 0 1 269.348 3.500 20 0 CHADMN CCCCCN(C(=O)c1[nH]nc2ccccc21)C(C)C ZINC000068207767 327038559 /nfs/dbraw/zinc/03/85/59/327038559.db2.gz CWAQJXUZTRAIJD-UHFFFAOYSA-N 0 1 273.380 3.604 20 0 CHADMN COc1ccc2cc(C[N@@H+](C)CCOC3CCC3)ccc2c1 ZINC000558087439 327064526 /nfs/dbraw/zinc/06/45/26/327064526.db2.gz KNLIUDXHBFUNHW-UHFFFAOYSA-N 0 1 299.414 3.849 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000584237286 327073026 /nfs/dbraw/zinc/07/30/26/327073026.db2.gz SJSGDXSUIHEQEY-AWEZNQCLSA-N 0 1 299.370 3.584 20 0 CHADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1csc2ccccc12 ZINC000263526729 327075630 /nfs/dbraw/zinc/07/56/30/327075630.db2.gz UIYVQOIJYFJCTP-NWDGAFQWSA-N 0 1 289.400 3.586 20 0 CHADMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000262037555 327075975 /nfs/dbraw/zinc/07/59/75/327075975.db2.gz ZVNSAAUPOMXRBK-LJQANCHMSA-N 0 1 295.382 3.650 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3cc(F)ccc31)CO2 ZINC000537958104 327089036 /nfs/dbraw/zinc/08/90/36/327089036.db2.gz HROYXECCZVDVEO-IAGOWNOFSA-N 0 1 283.346 3.845 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000262049007 327089160 /nfs/dbraw/zinc/08/91/60/327089160.db2.gz CRCOSYBFRUCCQS-OAHLLOKOSA-N 0 1 297.398 3.917 20 0 CHADMN FC(F)(F)CCN(Cc1ccc(Cl)cn1)CC1CC1 ZINC000558408399 327091787 /nfs/dbraw/zinc/09/17/87/327091787.db2.gz IRSDUIAQRXWRPN-UHFFFAOYSA-N 0 1 292.732 3.899 20 0 CHADMN Cc1[nH]ncc1CN1CC2(CCCC2)c2cccc(F)c21 ZINC000558423216 327093111 /nfs/dbraw/zinc/09/31/11/327093111.db2.gz IIJIMSUVAVPPME-UHFFFAOYSA-N 0 1 285.366 3.689 20 0 CHADMN CCOc1cccc(Cl)c1CN(C)C[C@@H]1CCCOC1 ZINC000584239723 327109958 /nfs/dbraw/zinc/10/99/58/327109958.db2.gz KIVNANJQOZQXLV-ZDUSSCGKSA-N 0 1 297.826 3.597 20 0 CHADMN C[C@H]1C[C@H](C)N1Cc1cncc(OCc2ccccc2)c1 ZINC000558702357 327115235 /nfs/dbraw/zinc/11/52/35/327115235.db2.gz BBAZGENNAVTBBY-GJZGRUSLSA-N 0 1 282.387 3.643 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000569347453 327118329 /nfs/dbraw/zinc/11/83/29/327118329.db2.gz CTJKNWSJNSNBNE-MRXNPFEDSA-N 0 1 271.360 3.525 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](Cc1cccc2ccccc21)C1CCC1 ZINC000584243579 327126463 /nfs/dbraw/zinc/12/64/63/327126463.db2.gz KDBSNGJIYDPWOG-CYBMUJFWSA-N 0 1 283.371 3.667 20 0 CHADMN Fc1cccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1Cl ZINC000559148807 327143510 /nfs/dbraw/zinc/14/35/10/327143510.db2.gz ZITSTIRPVNRTAM-OAHLLOKOSA-N 0 1 297.801 3.870 20 0 CHADMN CCc1nocc1CNCc1cccc(C(C)C)c1 ZINC000559294652 327155860 /nfs/dbraw/zinc/15/58/60/327155860.db2.gz GDNKLXKUUXINCR-UHFFFAOYSA-N 0 1 258.365 3.650 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1CC/C=C/c1ccccc1 ZINC000569380519 327170036 /nfs/dbraw/zinc/17/00/36/327170036.db2.gz GGLKYJJFXNHWEM-VGPQBGGKSA-N 0 1 287.403 3.664 20 0 CHADMN CSCc1cc(F)ccc1CN[C@H](C)c1ccccn1 ZINC000159343066 327174488 /nfs/dbraw/zinc/17/44/88/327174488.db2.gz GFZYDPJTWHONAB-GFCCVEGCSA-N 0 1 290.407 3.935 20 0 CHADMN Cc1nnc([C@H](C)NCC[C@H](C)c2ccccc2)s1 ZINC000278526900 327174973 /nfs/dbraw/zinc/17/49/73/327174973.db2.gz TZKRKKCITFFFFR-RYUDHWBXSA-N 0 1 275.421 3.691 20 0 CHADMN C[C@@H](CC(F)(F)F)NCc1nc(-c2ccccc2)c[nH]1 ZINC000569542993 327195832 /nfs/dbraw/zinc/19/58/32/327195832.db2.gz CDTJLBFKTQUZOD-JTQLQIEISA-N 0 1 283.297 3.507 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCCN1CC=C(C(F)(F)F)CC1 ZINC000533833862 327220710 /nfs/dbraw/zinc/22/07/10/327220710.db2.gz GXNYACPBBYEZHT-OCCSQVGLSA-N 0 1 291.357 3.776 20 0 CHADMN CC[N@@H+](Cc1cccs1)[C@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000584296651 327227815 /nfs/dbraw/zinc/22/78/15/327227815.db2.gz AZGMJZWZMXMDMP-SNVBAGLBSA-N 0 1 293.388 3.931 20 0 CHADMN CC[N@@H+](Cc1cccs1)[C@@H](C(=O)[O-])c1ccccc1C ZINC000584296852 327227895 /nfs/dbraw/zinc/22/78/95/327227895.db2.gz KWWJSSTWESOPKI-OAHLLOKOSA-N 0 1 289.400 3.704 20 0 CHADMN CC1(C)CC[C@@H]1NCc1ncc(-c2ccc(F)cc2)o1 ZINC000584300659 327228801 /nfs/dbraw/zinc/22/88/01/327228801.db2.gz XIUUATPSBDSGAX-AWEZNQCLSA-N 0 1 274.339 3.759 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@H](CC3CC3)C2)n1 ZINC000559411716 327244194 /nfs/dbraw/zinc/24/41/94/327244194.db2.gz VZSCBQXVTBHONQ-GXTWGEPZSA-N 0 1 277.412 3.595 20 0 CHADMN FC[C@@H]1CCCN1CCOc1ccc(C(F)(F)F)cc1 ZINC000559411663 327244214 /nfs/dbraw/zinc/24/42/14/327244214.db2.gz UJXCZLJUGQXULV-LBPRGKRZSA-N 0 1 291.288 3.518 20 0 CHADMN Cc1nnsc1CN[C@@H]1CCCc2ccc(Cl)cc21 ZINC000555607819 327247601 /nfs/dbraw/zinc/24/76/01/327247601.db2.gz ATXBDBXSRPVZCV-CYBMUJFWSA-N 0 1 293.823 3.667 20 0 CHADMN Cn1cccc1[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000531104740 327248374 /nfs/dbraw/zinc/24/83/74/327248374.db2.gz SGSIDCQBSGYIJW-QGZVFWFLSA-N 0 1 272.367 3.891 20 0 CHADMN C[C@@H](NCc1ccc(Cl)cc1)c1cn2ccccc2n1 ZINC000556233762 327251258 /nfs/dbraw/zinc/25/12/58/327251258.db2.gz REBBMVYIUOCLPA-GFCCVEGCSA-N 0 1 285.778 3.839 20 0 CHADMN Fc1ccc(Cl)cc1CN1CC[C@@H](c2ccncc2)C1 ZINC000559641365 327256514 /nfs/dbraw/zinc/25/65/14/327256514.db2.gz WMAGGXFOADINPG-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@@H]1CCCc2ccc(F)cc21 ZINC000564666473 327256899 /nfs/dbraw/zinc/25/68/99/327256899.db2.gz DBYWTOYRNRIUNC-YVEFUNNKSA-N 0 1 285.366 3.652 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@@H]1CCC[C@@H]1F ZINC000559916783 327270980 /nfs/dbraw/zinc/27/09/80/327270980.db2.gz MTAHTOUTTWBMSF-FPMFFAJLSA-N 0 1 251.345 3.545 20 0 CHADMN C[C@@H](N[C@H]1CCc2cc(F)ccc21)c1cn2ccccc2n1 ZINC000559920990 327271954 /nfs/dbraw/zinc/27/19/54/327271954.db2.gz DTPNDSDSDNDDAC-WBMJQRKESA-N 0 1 295.361 3.812 20 0 CHADMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])oc1C ZINC000573975302 327277833 /nfs/dbraw/zinc/27/78/33/327277833.db2.gz MNVAZWYUONIBDG-RISCZKNCSA-N 0 1 279.380 3.687 20 0 CHADMN CCC1(C)CCN(Cc2ccn(-c3ccccc3)n2)CC1 ZINC000507165394 332792024 /nfs/dbraw/zinc/79/20/24/332792024.db2.gz PRXDFAOTOSBJKF-UHFFFAOYSA-N 0 1 283.419 3.884 20 0 CHADMN CO[C@@H]1CCN(Cc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000449496781 327283363 /nfs/dbraw/zinc/28/33/63/327283363.db2.gz JOLOUYAVJCLTGZ-QMTHXVAHSA-N 0 1 288.218 3.850 20 0 CHADMN C[C@@H]1CC[C@@H](C)[C@H](NCc2noc(-c3cccs3)n2)C1 ZINC000560134205 327285630 /nfs/dbraw/zinc/28/56/30/327285630.db2.gz OCOQNLVOXKFDPU-IJLUTSLNSA-N 0 1 291.420 3.712 20 0 CHADMN COc1ccc(CN2CCC(CC(F)(F)F)CC2)cc1 ZINC000560168701 327288370 /nfs/dbraw/zinc/28/83/70/327288370.db2.gz SZNRMEFHTGGZNB-UHFFFAOYSA-N 0 1 287.325 3.860 20 0 CHADMN CCC(=O)Nc1cccc(CN[C@@H](C)c2cc(C)ccn2)c1 ZINC000560516809 327317320 /nfs/dbraw/zinc/31/73/20/327317320.db2.gz ONLNQFVMFAMUMU-AWEZNQCLSA-N 0 1 297.402 3.589 20 0 CHADMN Cc1cc(CN2Cc3ccccc3OC[C@H]2C)cc(C)c1O ZINC000583408340 327349383 /nfs/dbraw/zinc/34/93/83/327349383.db2.gz SIGJGAQKNAMIFP-OAHLLOKOSA-N 0 1 297.398 3.792 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@@H]1CCCc2c(F)cccc21 ZINC000566476365 327389699 /nfs/dbraw/zinc/38/96/99/327389699.db2.gz XYLYVMOHZNDZAO-SJKOYZFVSA-N 0 1 285.366 3.652 20 0 CHADMN CCCNc1ccc(CN[C@H](C)c2cncs2)cc1 ZINC000574872922 327389808 /nfs/dbraw/zinc/38/98/08/327389808.db2.gz GRTHRSIKUAFUJC-GFCCVEGCSA-N 0 1 275.421 3.816 20 0 CHADMN C[C@@H]1CC[C@H](CC(=O)Nc2cc(Cl)c(O)cc2F)C1 ZINC000561681240 327410055 /nfs/dbraw/zinc/41/00/55/327410055.db2.gz YPYJHWQLVFLQDD-BDAKNGLRSA-N 0 1 285.746 3.950 20 0 CHADMN Clc1cccc(-c2n[nH]cc2CNCc2ccco2)c1 ZINC000151307692 327465621 /nfs/dbraw/zinc/46/56/21/327465621.db2.gz NXPITTSWEUEKGW-UHFFFAOYSA-N 0 1 287.750 3.613 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2C[C@H]1C)c1cn2ccccc2n1 ZINC000562492600 327485201 /nfs/dbraw/zinc/48/52/01/327485201.db2.gz GFYHECVLTHIMHX-BIENJYKASA-N 0 1 291.398 3.918 20 0 CHADMN c1ccc(-c2ncc(CN3CC(C4CCCC4)C3)cn2)cc1 ZINC000562686671 327505117 /nfs/dbraw/zinc/50/51/17/327505117.db2.gz XWGBUUBCYCGGBB-UHFFFAOYSA-N 0 1 293.414 3.766 20 0 CHADMN CC[C@H](N[C@H](C)c1cnn(C)c1)c1ccc(F)cc1F ZINC000151820533 327509606 /nfs/dbraw/zinc/50/96/06/327509606.db2.gz MFCRLVKNFHLSSP-BMIGLBTASA-N 0 1 279.334 3.500 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1ccnc(Cl)c1 ZINC000271715384 327527768 /nfs/dbraw/zinc/52/77/68/327527768.db2.gz QCYRPEZSZAMEOQ-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN CCO[C@@H]1C[C@@H]1N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000562943948 327527979 /nfs/dbraw/zinc/52/79/79/327527979.db2.gz GMZBTLHUGZFIAL-ZMSDIMECSA-N 0 1 287.403 3.590 20 0 CHADMN COc1cccc(F)c1[C@H](C)NC[C@H](C)C(F)(F)F ZINC000569834623 327551181 /nfs/dbraw/zinc/55/11/81/327551181.db2.gz APBQTFHLQZPQIR-IUCAKERBSA-N 0 1 279.277 3.683 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1cc(F)cc(OC)c1 ZINC000507489815 332809753 /nfs/dbraw/zinc/80/97/53/332809753.db2.gz YHUSBTQYQZRLOC-GFCCVEGCSA-N 0 1 288.366 3.643 20 0 CHADMN CC1(C)Cc2occc2[C@H](NCc2cccc(O)c2)C1 ZINC000154411540 327585196 /nfs/dbraw/zinc/58/51/96/327585196.db2.gz YSGPLETWCISHTF-OAHLLOKOSA-N 0 1 271.360 3.789 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1cc(C)cc(OC)c1 ZINC000507508272 332810545 /nfs/dbraw/zinc/81/05/45/332810545.db2.gz JKHSMSQMFZXAEY-AWEZNQCLSA-N 0 1 284.403 3.812 20 0 CHADMN CC(C)(C)c1ncc(CN2CCC(C(F)F)CC2)s1 ZINC000536678082 328680770 /nfs/dbraw/zinc/68/07/70/328680770.db2.gz XJLYMKLLKFWWBM-UHFFFAOYSA-N 0 1 288.407 3.918 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN[C@@H](CO)c1ccsc1 ZINC000351873356 328733834 /nfs/dbraw/zinc/73/38/34/328733834.db2.gz BJUBLOFNMFADQU-HNNXBMFYSA-N 0 1 295.835 3.842 20 0 CHADMN C[C@@H](NC[C@@H](C)c1cccc(Cl)c1)c1ccon1 ZINC000526115993 328744343 /nfs/dbraw/zinc/74/43/43/328744343.db2.gz XNZQTEYTVZBGLT-GHMZBOCLSA-N 0 1 264.756 3.782 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccncn1)c1ccc(C)cc1 ZINC000395816294 328761040 /nfs/dbraw/zinc/76/10/40/328761040.db2.gz NOWVGBRVLHEWNC-ZFWWWQNUSA-N 0 1 255.365 3.587 20 0 CHADMN CCC[C@@H](C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000042336643 328763935 /nfs/dbraw/zinc/76/39/35/328763935.db2.gz MEJDKKKTJRAIQZ-AGIUHOORSA-N 0 1 296.842 3.684 20 0 CHADMN C[C@@H](N[C@H](C)c1ccncn1)c1ccc2c(c1)CCCC2 ZINC000395879003 328771120 /nfs/dbraw/zinc/77/11/20/328771120.db2.gz GQWCCAQHKXEYHG-ZIAGYGMSSA-N 0 1 281.403 3.767 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)cc1)c1ccncn1 ZINC000395912638 328776401 /nfs/dbraw/zinc/77/64/01/328776401.db2.gz PRPFAOBLNKTWAH-WDEREUQCSA-N 0 1 295.308 3.907 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cccc3cc[nH]c31)CO2 ZINC000532427584 328777229 /nfs/dbraw/zinc/77/72/29/328777229.db2.gz CJFKQTOFCGIUCG-MRXNPFEDSA-N 0 1 278.355 3.700 20 0 CHADMN Cc1ccc(C)c([C@H](C)NCc2cn3ccsc3n2)c1 ZINC000532476212 328782858 /nfs/dbraw/zinc/78/28/58/328782858.db2.gz KTNVZNLOHRYCQX-ZDUSSCGKSA-N 0 1 285.416 3.863 20 0 CHADMN CC(C)(C)[C@H]1CCCC[C@@H]1NCc1nnc(C2CC2)o1 ZINC000532701187 328805739 /nfs/dbraw/zinc/80/57/39/328805739.db2.gz IQKLRTUUPIMGAV-STQMWFEESA-N 0 1 277.412 3.642 20 0 CHADMN c1ccc2c(CN[C@H]3CCCNc4ccccc43)noc2c1 ZINC000563975996 328842662 /nfs/dbraw/zinc/84/26/62/328842662.db2.gz LOLVYOVQZORVLN-INIZCTEOSA-N 0 1 293.370 3.864 20 0 CHADMN COC[C@@H](CC(C)C)NCc1nc(C(C)C)c(C)s1 ZINC000361342429 328919285 /nfs/dbraw/zinc/91/92/85/328919285.db2.gz VOBLCVFWBQMEJO-CYBMUJFWSA-N 0 1 284.469 3.726 20 0 CHADMN CC1(C)CN(Cc2cnc(C3CCCC3)s2)CCCO1 ZINC000378346799 329046937 /nfs/dbraw/zinc/04/69/37/329046937.db2.gz SSKGXLNLFRIMLF-UHFFFAOYSA-N 0 1 294.464 3.802 20 0 CHADMN Cc1ncc(CN(C)[C@@H]2CCc3ccccc32)s1 ZINC000193904337 329062685 /nfs/dbraw/zinc/06/26/85/329062685.db2.gz IUCRJEMDRNJWQP-OAHLLOKOSA-N 0 1 258.390 3.571 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(F)cc2C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000393500613 329086718 /nfs/dbraw/zinc/08/67/18/329086718.db2.gz ZOYXAJLQRQATEW-GJZGRUSLSA-N 0 1 291.366 3.534 20 0 CHADMN Cc1ccc2ncc(CN3CCOC[C@H]3C3CCC3)cc2c1 ZINC000582544331 329104640 /nfs/dbraw/zinc/10/46/40/329104640.db2.gz HMBSOQABMYWWMO-IBGZPJMESA-N 0 1 296.414 3.544 20 0 CHADMN C[C@@H]1CC[N@@H+](CC2(CC(=O)[O-])CC2)CC12CCCCC2 ZINC000582551931 329106460 /nfs/dbraw/zinc/10/64/60/329106460.db2.gz SCFBHRYAUKCODC-CQSZACIVSA-N 0 1 279.424 3.534 20 0 CHADMN C[C@@]1(c2ccccc2)CN(C[C@H]2CCCC2(F)F)CCO1 ZINC000582587434 329112877 /nfs/dbraw/zinc/11/28/77/329112877.db2.gz QHAAWFKKKOXGRR-CVEARBPZSA-N 0 1 295.373 3.669 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCCCC(=O)[O-] ZINC000582730833 329132302 /nfs/dbraw/zinc/13/23/02/329132302.db2.gz VIBVUVSHCYJISX-ZBFHGGJFSA-N 0 1 275.392 3.509 20 0 CHADMN CCC[N@@H+](Cc1cscn1)[C@H]1C[C@H](OCC)C1(C)C ZINC000172553402 329137280 /nfs/dbraw/zinc/13/72/80/329137280.db2.gz BXNDCFKPWMQQNX-KBPBESRZSA-N 0 1 282.453 3.559 20 0 CHADMN CCCN(Cc1cscn1)[C@H]1C[C@H](OCC)C1(C)C ZINC000172553402 329137282 /nfs/dbraw/zinc/13/72/82/329137282.db2.gz BXNDCFKPWMQQNX-KBPBESRZSA-N 0 1 282.453 3.559 20 0 CHADMN Cc1ccc(F)c(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000582757212 329147552 /nfs/dbraw/zinc/14/75/52/329147552.db2.gz BZTRZCRBHTVOGS-CVEARBPZSA-N 0 1 277.383 3.524 20 0 CHADMN Cc1nnsc1CN[C@H](c1ccccc1)C(C)(C)C ZINC000394838244 329151028 /nfs/dbraw/zinc/15/10/28/329151028.db2.gz ILIQGZUQZFSPQB-CQSZACIVSA-N 0 1 275.421 3.724 20 0 CHADMN C[C@@H]1CCCN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000175061323 329162355 /nfs/dbraw/zinc/16/23/55/329162355.db2.gz BTJIPNXVUSVPGO-GFCCVEGCSA-N 0 1 274.339 3.713 20 0 CHADMN CO[C@H](C)c1nc(CN2CCCC(C)(C)CC2)cs1 ZINC000175265890 329167217 /nfs/dbraw/zinc/16/72/17/329167217.db2.gz OCHFLUDFZCKAGP-GFCCVEGCSA-N 0 1 282.453 3.863 20 0 CHADMN C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177569203 329187549 /nfs/dbraw/zinc/18/75/49/329187549.db2.gz UAVZGCFSVOSGCQ-CWRNSKLLSA-N 0 1 297.402 3.920 20 0 CHADMN CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc2ccccc2n1 ZINC000178081218 329192483 /nfs/dbraw/zinc/19/24/83/329192483.db2.gz KPDMVAWQAVBBPD-DOTOQJQBSA-N 0 1 297.446 3.760 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccoc1)CCCO2 ZINC000178475722 329197559 /nfs/dbraw/zinc/19/75/59/329197559.db2.gz WZVIHWFLKQLPCX-OAHLLOKOSA-N 0 1 257.333 3.592 20 0 CHADMN c1nc(-c2ccccc2)[nH]c1CN1Cc2ccccc2C1 ZINC000179487023 329208991 /nfs/dbraw/zinc/20/89/91/329208991.db2.gz ZLFBEQKFHYIPLR-UHFFFAOYSA-N 0 1 275.355 3.593 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccncc2)c(C)s1 ZINC000179678962 329211313 /nfs/dbraw/zinc/21/13/13/329211313.db2.gz NWYRRLHLCKBUQH-LBPRGKRZSA-N 0 1 260.406 3.953 20 0 CHADMN Cc1cnc(CN2CCSC3(CCCCC3)C2)s1 ZINC000180536072 329220544 /nfs/dbraw/zinc/22/05/44/329220544.db2.gz GJXQEOUKBRZNIM-UHFFFAOYSA-N 0 1 282.478 3.703 20 0 CHADMN CCn1nccc1CN1CC=C(c2cccc(C)c2)CC1 ZINC000180781128 329222917 /nfs/dbraw/zinc/22/29/17/329222917.db2.gz YEXDYYJCQFLJOY-UHFFFAOYSA-N 0 1 281.403 3.501 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN(CC(F)(F)F)C3)[nH]c2c1 ZINC000181149819 329232909 /nfs/dbraw/zinc/23/29/09/329232909.db2.gz AHPBZLRJPOURJD-NSHDSACASA-N 0 1 297.324 3.613 20 0 CHADMN CCO[C@H]1C[C@H](NCc2nc(C(C)C)cs2)C12CCC2 ZINC000181910736 329238396 /nfs/dbraw/zinc/23/83/96/329238396.db2.gz HCFKHLASEVWAMU-KBPBESRZSA-N 0 1 294.464 3.704 20 0 CHADMN Cn1ccnc1[C@H](N[C@@H]1CCCc2cc(F)ccc21)C1CC1 ZINC000183364870 329247462 /nfs/dbraw/zinc/24/74/62/329247462.db2.gz ULCJNIFRYOGVHY-IAGOWNOFSA-N 0 1 299.393 3.678 20 0 CHADMN Clc1cnc(CNCCc2ccc(Cl)cc2)s1 ZINC000225294922 329248401 /nfs/dbraw/zinc/24/84/01/329248401.db2.gz MRLIZAPCTCMJFM-UHFFFAOYSA-N 0 1 287.215 3.782 20 0 CHADMN Cc1ccccc1C[C@@H](C)NCc1ncc(Cl)s1 ZINC000225316676 329250831 /nfs/dbraw/zinc/25/08/31/329250831.db2.gz MTARNCKDHFFAON-LLVKDONJSA-N 0 1 280.824 3.826 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2C[C@@H]3CCC[C@H]3C2)s1 ZINC000183605111 329251230 /nfs/dbraw/zinc/25/12/30/329251230.db2.gz MSXIEKGXNFUYFT-UWVGGRQHSA-N 0 1 290.354 3.702 20 0 CHADMN C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000183948573 329255066 /nfs/dbraw/zinc/25/50/66/329255066.db2.gz INQAOIOOYBZJML-MNOVXSKESA-N 0 1 271.376 3.950 20 0 CHADMN COC(=O)C(C)(C)CCN(C)[C@H](C)c1ccccc1Cl ZINC000525977557 329268863 /nfs/dbraw/zinc/26/88/63/329268863.db2.gz WHEZNHZSUGWGTB-GFCCVEGCSA-N 0 1 297.826 3.922 20 0 CHADMN Cc1cc(Cl)cc(CNCc2ncccc2C)c1 ZINC000395180854 329278510 /nfs/dbraw/zinc/27/85/10/329278510.db2.gz FBKUJOGSDCUXOR-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN Cc1nsc(C)c1CN1CC[C@H]1c1ccccc1 ZINC000582913053 329287928 /nfs/dbraw/zinc/28/79/28/329287928.db2.gz RLUFLXJLOZMFIW-HNNXBMFYSA-N 0 1 258.390 3.707 20 0 CHADMN C[N@@H+](CCCc1ccsc1)Cc1ccc(C(=O)[O-])cc1 ZINC000583029742 329304834 /nfs/dbraw/zinc/30/48/34/329304834.db2.gz CQTRAEQXSZXIIF-UHFFFAOYSA-N 0 1 289.400 3.511 20 0 CHADMN c1ccc2oc(CCN=c3[nH]c4ccccc4s3)nc2c1 ZINC000584376270 329306802 /nfs/dbraw/zinc/30/68/02/329306802.db2.gz GQOQNJUDFKRJTR-UHFFFAOYSA-N 0 1 295.367 3.514 20 0 CHADMN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1csc(C2CC2)n1 ZINC000185656034 329328498 /nfs/dbraw/zinc/32/84/98/329328498.db2.gz GRCNZSRVUQRUOB-ZWNOBZJWSA-N 0 1 250.411 3.641 20 0 CHADMN CC[C@@H]1[C@H](C)CCN1Cc1csc(C2CC2)n1 ZINC000185656034 329328499 /nfs/dbraw/zinc/32/84/99/329328499.db2.gz GRCNZSRVUQRUOB-ZWNOBZJWSA-N 0 1 250.411 3.641 20 0 CHADMN C[C@H](N[C@@H](C)c1cncc(F)c1)c1ccsc1 ZINC000227834652 329329398 /nfs/dbraw/zinc/32/93/98/329329398.db2.gz OXGVJKBHSKVWPQ-UWVGGRQHSA-N 0 1 250.342 3.694 20 0 CHADMN Cc1occc1CN[C@@H]1CCSc2ccccc21 ZINC000321256680 329335264 /nfs/dbraw/zinc/33/52/64/329335264.db2.gz PMHWEXTTWRHRBR-CQSZACIVSA-N 0 1 259.374 3.915 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1cc(O)cc(F)c1 ZINC000186169360 329338514 /nfs/dbraw/zinc/33/85/14/329338514.db2.gz CSPQENFDJHCIOL-NSHDSACASA-N 0 1 277.314 3.863 20 0 CHADMN Cc1ccc(CN(Cc2cccs2)C2CC2)c(C)n1 ZINC000186497593 329343200 /nfs/dbraw/zinc/34/32/00/329343200.db2.gz RQKKYIIZFZAFOF-UHFFFAOYSA-N 0 1 272.417 3.925 20 0 CHADMN C[C@H](CCC1CC1)NCc1cc(COC(C)(C)C)on1 ZINC000186815518 329349180 /nfs/dbraw/zinc/34/91/80/329349180.db2.gz WQHUPBBCXLUGBF-GFCCVEGCSA-N 0 1 280.412 3.658 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@H](C)N2CCCC3(CC3)C2)c1 ZINC000186967088 329352445 /nfs/dbraw/zinc/35/24/45/329352445.db2.gz SXIIGBPWOKCCKU-HNNXBMFYSA-N 0 1 286.419 3.506 20 0 CHADMN c1ccc(-c2ccccc2NCc2n[nH]c(C3CC3)n2)cc1 ZINC000187400382 329357153 /nfs/dbraw/zinc/35/71/53/329357153.db2.gz KGABAPHZBXMWRS-UHFFFAOYSA-N 0 1 290.370 3.961 20 0 CHADMN CCC(CC)n1ccc(CN2CCC[C@@H](CSC)C2)n1 ZINC000429295810 329366577 /nfs/dbraw/zinc/36/65/77/329366577.db2.gz QOHNDFXUVIBXLV-CQSZACIVSA-N 0 1 295.496 3.819 20 0 CHADMN Cc1cc(C)c2c(c1)CN(Cc1cnn(C(C)C)c1)CC2 ZINC000188663253 329371695 /nfs/dbraw/zinc/37/16/95/329371695.db2.gz RCCXSDROLRCALW-UHFFFAOYSA-N 0 1 283.419 3.639 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1ccc(F)nc1 ZINC000188997835 329374616 /nfs/dbraw/zinc/37/46/16/329374616.db2.gz DWEIKPDQGATIOO-CQSZACIVSA-N 0 1 288.366 3.925 20 0 CHADMN Cc1cc2cc(NC(=O)c3cn[nH]c3C(C)C)ccc2[nH]1 ZINC000189051894 329375365 /nfs/dbraw/zinc/37/53/65/329375365.db2.gz XBWLTYJTEPDKBC-UHFFFAOYSA-N 0 1 282.347 3.575 20 0 CHADMN Fc1ccc(CN2CCC(c3ccccc3)CC2)cn1 ZINC000189291532 329379176 /nfs/dbraw/zinc/37/91/76/329379176.db2.gz LDPIJKKOPOUHOZ-UHFFFAOYSA-N 0 1 270.351 3.600 20 0 CHADMN Cc1cncc([C@H](C)N[C@@H]2CCOc3c(C)cccc32)c1 ZINC000189374064 329380360 /nfs/dbraw/zinc/38/03/60/329380360.db2.gz JFKVXUPRSZDURC-WMLDXEAASA-N 0 1 282.387 3.873 20 0 CHADMN CN(Cc1nc(C2CC2)cs1)C1CC(C)(C)C1 ZINC000459746775 329380714 /nfs/dbraw/zinc/38/07/14/329380714.db2.gz UYNNJEKRJZSKAZ-UHFFFAOYSA-N 0 1 250.411 3.641 20 0 CHADMN Cc1[nH]ncc1CNc1cc(Cl)c(F)c(Cl)c1 ZINC000232027541 329381545 /nfs/dbraw/zinc/38/15/45/329381545.db2.gz BFRPDQHMVDGDCI-UHFFFAOYSA-N 0 1 274.126 3.776 20 0 CHADMN Cc1c(NCc2n[nH]c(C3CC3)n2)cccc1C(F)(F)F ZINC000190389432 329395780 /nfs/dbraw/zinc/39/57/80/329395780.db2.gz XDLBBISIGWRIHA-UHFFFAOYSA-N 0 1 296.296 3.621 20 0 CHADMN CC(C)(C)c1ccncc1CNCc1cc2cccnc2o1 ZINC000583250648 329399293 /nfs/dbraw/zinc/39/92/93/329399293.db2.gz XQRNBUGZGQWKDQ-UHFFFAOYSA-N 0 1 295.386 3.810 20 0 CHADMN FCCN[C@H](c1ccc(Br)s1)C1CC1 ZINC000393683072 329411982 /nfs/dbraw/zinc/41/19/82/329411982.db2.gz MTSWODUFRPPUCE-JTQLQIEISA-N 0 1 278.190 3.521 20 0 CHADMN Oc1cccc2c1CCC[C@H]2NCc1cccc(F)c1F ZINC000191655005 329416190 /nfs/dbraw/zinc/41/61/90/329416190.db2.gz GXHPIDRSVCKKGK-OAHLLOKOSA-N 0 1 289.325 3.838 20 0 CHADMN O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1ccc(O)c(Cl)c1 ZINC000425147150 329608580 /nfs/dbraw/zinc/60/85/80/329608580.db2.gz KEAVCOQGMHVKHZ-WCQYABFASA-N 0 1 293.794 3.744 20 0 CHADMN Cc1cccc2c1OCC[C@H]2N[C@H](C)c1cccc(O)c1 ZINC000194968818 329689986 /nfs/dbraw/zinc/68/99/86/329689986.db2.gz VJADPGXHWPWUTM-CXAGYDPISA-N 0 1 283.371 3.875 20 0 CHADMN Cc1cc(C)cc(CN[C@@H]2c3ccccc3O[C@@H]2C)c1 ZINC000564124627 329697882 /nfs/dbraw/zinc/69/78/82/329697882.db2.gz SHIUHVCXGNWVCE-KDOFPFPSSA-N 0 1 267.372 3.915 20 0 CHADMN CC[C@H](NCc1nc(C2CCCC2)no1)[C@@H]1CC1(C)C ZINC000419315032 329716127 /nfs/dbraw/zinc/71/61/27/329716127.db2.gz JBXZEEZFCCCKLT-STQMWFEESA-N 0 1 277.412 3.642 20 0 CHADMN CC[C@@H](NCc1nc(C2CCCC2)no1)[C@@H]1CC1(C)C ZINC000419315031 329716219 /nfs/dbraw/zinc/71/62/19/329716219.db2.gz JBXZEEZFCCCKLT-QWHCGFSZSA-N 0 1 277.412 3.642 20 0 CHADMN C[C@H](Cc1noc(C23CCCN2CCC3)n1)c1ccccc1 ZINC000420487947 329768011 /nfs/dbraw/zinc/76/80/11/329768011.db2.gz VTOUHVXOLHURQY-CQSZACIVSA-N 0 1 297.402 3.501 20 0 CHADMN CCO[C@H](C)c1nc(CN2C[C@@H]3CCCC[C@H]3C2)cs1 ZINC000246112028 329782980 /nfs/dbraw/zinc/78/29/80/329782980.db2.gz CEXWUSQJLFHIHT-RDBSUJKOSA-N 0 1 294.464 3.863 20 0 CHADMN Cc1ccc(-c2noc(CN3[C@H](C)CC[C@H]3C)n2)c(F)c1 ZINC000445382436 329788098 /nfs/dbraw/zinc/78/80/98/329788098.db2.gz FIOYDEKWQAJVGB-VXGBXAGGSA-N 0 1 289.354 3.557 20 0 CHADMN CO[C@@H]1CCCC[C@H]1NCc1csc(C2CCCC2)n1 ZINC000429498517 329803278 /nfs/dbraw/zinc/80/32/78/329803278.db2.gz QWHWZFXGNYDRSW-HUUCEWRRSA-N 0 1 294.464 3.848 20 0 CHADMN CCCOc1ccc([C@H](C)NCc2ccco2)cc1OC ZINC000069708409 329854418 /nfs/dbraw/zinc/85/44/18/329854418.db2.gz RMRPTRZWBNJJKH-ZDUSSCGKSA-N 0 1 289.375 3.928 20 0 CHADMN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCCC1 ZINC000074981219 329865915 /nfs/dbraw/zinc/86/59/15/329865915.db2.gz VTVKKHQRBGLBOZ-JTQLQIEISA-N 0 1 277.755 3.547 20 0 CHADMN CC(C)c1nc(CN(C)Cc2ccoc2)c2ccccn21 ZINC000572248509 329957975 /nfs/dbraw/zinc/95/79/75/329957975.db2.gz HFTNXHAFPAQVEK-UHFFFAOYSA-N 0 1 283.375 3.683 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000262285256 330004326 /nfs/dbraw/zinc/00/43/26/330004326.db2.gz WNHRGXZYKYYOBR-OAHLLOKOSA-N 0 1 279.355 3.608 20 0 CHADMN Cc1ccccc1Cc1noc(CN[C@H]2CCCC[C@@H]2C)n1 ZINC000162393671 330016022 /nfs/dbraw/zinc/01/60/22/330016022.db2.gz ATVGSLYOTCZLLX-HOCLYGCPSA-N 0 1 299.418 3.637 20 0 CHADMN C[C@H](C[N@H+]1CCC[C@H](C(=O)[O-])[C@@H]1C)c1cccc(Cl)c1 ZINC000263058579 330041247 /nfs/dbraw/zinc/04/12/47/330041247.db2.gz MAWNECMOHOCDKO-XUJVJEKNSA-N 0 1 295.810 3.629 20 0 CHADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000263311640 330052034 /nfs/dbraw/zinc/05/20/34/330052034.db2.gz IARJRKAORRIURH-DZGCQCFKSA-N 0 1 299.370 3.632 20 0 CHADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cc2ccccc2s1 ZINC000263346887 330052723 /nfs/dbraw/zinc/05/27/23/330052723.db2.gz OVQSVHXEQLJXCC-WCQYABFASA-N 0 1 289.400 3.586 20 0 CHADMN CC1=C(c2ccco2)C[N@@H+](Cc2cccc(C(=O)[O-])c2)CC1 ZINC000263417135 330054763 /nfs/dbraw/zinc/05/47/63/330054763.db2.gz NPFOWNTZSRMNFY-UHFFFAOYSA-N 0 1 297.354 3.657 20 0 CHADMN CC(C)C[C@H](C[N@H+]1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000263418518 330054786 /nfs/dbraw/zinc/05/47/86/330054786.db2.gz OBGTZFMHWCUVTB-SJORKVTESA-N 0 1 289.419 3.755 20 0 CHADMN O=C([O-])[C@H]1CCC[N@@H+](Cc2ccc(C3CCCC3)cc2)C1 ZINC000263422429 330054986 /nfs/dbraw/zinc/05/49/86/330054986.db2.gz PILNJHXIVHZUCM-KRWDZBQOSA-N 0 1 287.403 3.641 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000263422422 330055008 /nfs/dbraw/zinc/05/50/08/330055008.db2.gz PIAQASYSMJAOED-SFHVURJKSA-N 0 1 295.382 3.764 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263482044 330057349 /nfs/dbraw/zinc/05/73/49/330057349.db2.gz OEYGGBXABHTASP-XJKSGUPXSA-N 0 1 275.392 3.785 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263575869 330059597 /nfs/dbraw/zinc/05/95/97/330059597.db2.gz PQVHZNYQFZMDOB-RDTXWAMCSA-N 0 1 295.382 3.763 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263575867 330059632 /nfs/dbraw/zinc/05/96/32/330059632.db2.gz PQVHZNYQFZMDOB-KDOFPFPSSA-N 0 1 295.382 3.763 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000263582744 330059936 /nfs/dbraw/zinc/05/99/36/330059936.db2.gz YYNVKPBALIOLFE-AWEZNQCLSA-N 0 1 287.384 3.783 20 0 CHADMN C[C@@H]1CCCCC[N@H+]1Cc1c(Cl)cccc1C(=O)[O-] ZINC000572413518 330065000 /nfs/dbraw/zinc/06/50/00/330065000.db2.gz GVLDNVWBWZOCGD-LLVKDONJSA-N 0 1 281.783 3.803 20 0 CHADMN C[C@@H](c1cccc(F)c1)N1CCC(F)(F)[C@@H](C)C1 ZINC000572412237 330067409 /nfs/dbraw/zinc/06/74/09/330067409.db2.gz XKQXJLZXFMIGSA-QWRGUYRKSA-N 0 1 257.299 3.864 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccncc2Cl)cc1 ZINC000421803735 330080872 /nfs/dbraw/zinc/08/08/72/330080872.db2.gz RLFFBQQKNCZWFF-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1cc(C)nc(C)c1 ZINC000421853761 330088666 /nfs/dbraw/zinc/08/86/66/330088666.db2.gz JUKDIVXTYMGTDL-AWEZNQCLSA-N 0 1 269.392 3.507 20 0 CHADMN C[C@H](N[C@H](c1cccnc1)C1CC1)c1ccncc1Cl ZINC000421833858 330091525 /nfs/dbraw/zinc/09/15/25/330091525.db2.gz JQUXNMVLVFQYDC-ZBEGNZNMSA-N 0 1 287.794 3.932 20 0 CHADMN C[C@@H](N[C@@H](C)CC(=O)OC(C)(C)C)c1ccncc1Cl ZINC000421843093 330094315 /nfs/dbraw/zinc/09/43/15/330094315.db2.gz MGPVRFOKELRYSY-WDEREUQCSA-N 0 1 298.814 3.506 20 0 CHADMN Cc1cc([C@@H](C)NCc2cc(C)nc(C)c2)c(C)o1 ZINC000421880135 330102042 /nfs/dbraw/zinc/10/20/42/330102042.db2.gz OBEUTELEZJWXGZ-CYBMUJFWSA-N 0 1 258.365 3.759 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](c1ccccc1F)[C@@H](C)O)CC2 ZINC000580439852 330134848 /nfs/dbraw/zinc/13/48/48/330134848.db2.gz UJXRIRDKVGVEPL-UPRAQXHNSA-N 0 1 299.389 3.833 20 0 CHADMN CC(C)C[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000580456617 330141021 /nfs/dbraw/zinc/14/10/21/330141021.db2.gz KDCBUDVASMKQAN-GFCCVEGCSA-N 0 1 290.190 3.707 20 0 CHADMN CCCC[C@@H](CC)CC[N@H+]1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000422632128 330150470 /nfs/dbraw/zinc/15/04/70/330150470.db2.gz GNWWYMZZIZQHRM-ZNMIVQPWSA-N 0 1 269.429 3.778 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000081178215 330167989 /nfs/dbraw/zinc/16/79/89/330167989.db2.gz OWMIHKFVFYQXRA-SWLSCSKDSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1ccnc([C@H](C)NCc2cccc3c2CCCN3)c1 ZINC000423416627 330197649 /nfs/dbraw/zinc/19/76/49/330197649.db2.gz REIJBJCLLGGVLL-AWEZNQCLSA-N 0 1 281.403 3.599 20 0 CHADMN Cc1cc(N)cc(CN[C@H](C)c2cc(F)ccc2F)c1 ZINC000423474833 330205445 /nfs/dbraw/zinc/20/54/45/330205445.db2.gz HSCLNIFFMADDEU-LLVKDONJSA-N 0 1 276.330 3.706 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2ccccc2F)cn1 ZINC000397067122 330238093 /nfs/dbraw/zinc/23/80/93/330238093.db2.gz VMHUONZIMHPNHR-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)NCc2cnc(C)cc2C)c1 ZINC000397074152 330238461 /nfs/dbraw/zinc/23/84/61/330238461.db2.gz CXUYONNAYHGUOJ-CQSZACIVSA-N 0 1 297.402 3.508 20 0 CHADMN COc1ccc(CN[C@@H]2CCc3ccc(F)cc32)c(F)c1 ZINC000536843036 330245717 /nfs/dbraw/zinc/24/57/17/330245717.db2.gz BXDZGXDIFSJVFJ-QGZVFWFLSA-N 0 1 289.325 3.751 20 0 CHADMN C[N@@H+](Cc1ccccc1C(F)(F)F)CC1(F)CC1 ZINC000527509259 330254813 /nfs/dbraw/zinc/25/48/13/330254813.db2.gz GRHCSFUGDRUFOT-UHFFFAOYSA-N 0 1 261.262 3.639 20 0 CHADMN CN(Cc1ccccc1C(F)(F)F)CC1(F)CC1 ZINC000527509259 330254814 /nfs/dbraw/zinc/25/48/14/330254814.db2.gz GRHCSFUGDRUFOT-UHFFFAOYSA-N 0 1 261.262 3.639 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cnc(C2CC2)s1 ZINC000527529385 330258171 /nfs/dbraw/zinc/25/81/71/330258171.db2.gz FXGNUXXENWAOMD-KWQFWETISA-N 0 1 290.354 3.793 20 0 CHADMN Cc1cc(CN2C[C@H](C)[C@H]2c2ccccc2)ccn1 ZINC000527533711 330262946 /nfs/dbraw/zinc/26/29/46/330262946.db2.gz JLJZWRBNSBAENH-GUYCJALGSA-N 0 1 252.361 3.583 20 0 CHADMN Cc1cc(CN2CCc3sccc3[C@H]2C)ccn1 ZINC000527535212 330263208 /nfs/dbraw/zinc/26/32/08/330263208.db2.gz SCLUGLMHICTDIV-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccc(F)cc2)ccn1 ZINC000527534538 330263231 /nfs/dbraw/zinc/26/32/31/330263231.db2.gz OYELBLPHDTXECG-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN COc1cc(CNCc2ccoc2)cc(C(F)(F)F)c1 ZINC000527644305 330268842 /nfs/dbraw/zinc/26/88/42/330268842.db2.gz HJQAWILTMNOJHL-UHFFFAOYSA-N 0 1 285.265 3.597 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2ccc3cc[nH]c3c2)n[nH]1 ZINC000527700650 330274651 /nfs/dbraw/zinc/27/46/51/330274651.db2.gz NXTZOAOOTYAQCI-NEPJUHHUSA-N 0 1 297.406 3.650 20 0 CHADMN Cc1cccnc1CCNCc1c(F)ccc(F)c1Cl ZINC000527716744 330276769 /nfs/dbraw/zinc/27/67/69/330276769.db2.gz RHMGGEVTXFQJSH-UHFFFAOYSA-N 0 1 296.748 3.654 20 0 CHADMN Fc1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1F ZINC000527771764 330282153 /nfs/dbraw/zinc/28/21/53/330282153.db2.gz JLRQBYUXENYIMK-QGZVFWFLSA-N 0 1 288.341 3.991 20 0 CHADMN CC[C@@H](NCc1n[nH]cc1C)c1cc(C)ccc1C ZINC000527819628 330286281 /nfs/dbraw/zinc/28/62/81/330286281.db2.gz JYOYVJZAQLFNOZ-OAHLLOKOSA-N 0 1 257.381 3.576 20 0 CHADMN C[C@@H]1CC(F)(F)CC[N@H+]1CCCC(=O)c1ccc(F)cc1 ZINC000528775108 330287241 /nfs/dbraw/zinc/28/72/41/330287241.db2.gz WWDCXESYRCPTMU-GFCCVEGCSA-N 0 1 299.336 3.908 20 0 CHADMN C[C@@H]1CC(F)(F)CCN1CCCC(=O)c1ccc(F)cc1 ZINC000528775108 330287242 /nfs/dbraw/zinc/28/72/42/330287242.db2.gz WWDCXESYRCPTMU-GFCCVEGCSA-N 0 1 299.336 3.908 20 0 CHADMN Fc1cc2c(cc1Cl)[C@@H](NCc1ccoc1)CC2 ZINC000527845892 330287798 /nfs/dbraw/zinc/28/77/98/330287798.db2.gz AZOHPQHTJNZRDD-AWEZNQCLSA-N 0 1 265.715 3.849 20 0 CHADMN COCCC1CCN([C@H](C)c2cc(F)ccc2F)CC1 ZINC000527937909 330293614 /nfs/dbraw/zinc/29/36/14/330293614.db2.gz WEVSZOVBLZLJAQ-GFCCVEGCSA-N 0 1 283.362 3.774 20 0 CHADMN FC(F)[C@@H](CCc1ccccc1)NCC1CC=CC1 ZINC000527947785 330294372 /nfs/dbraw/zinc/29/43/72/330294372.db2.gz KOSZUCHLTLAHKH-OAHLLOKOSA-N 0 1 265.347 3.809 20 0 CHADMN Cc1cc([C@@H](C)NCc2cncn2C(C)C)ccc1F ZINC000424150196 330296921 /nfs/dbraw/zinc/29/69/21/330296921.db2.gz YJRNVOCWZVLPBI-CYBMUJFWSA-N 0 1 275.371 3.762 20 0 CHADMN COCCC1CCN([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000527931089 330297432 /nfs/dbraw/zinc/29/74/32/330297432.db2.gz BJNOARFYCMYMPQ-GFCCVEGCSA-N 0 1 283.362 3.774 20 0 CHADMN Cc1ncccc1CN[C@H](C)c1csc(Cl)c1 ZINC000527984586 330298583 /nfs/dbraw/zinc/29/85/83/330298583.db2.gz CVLBVRVXYMVVGZ-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN CC[C@@H](NCc1ccc2cn(C)nc2c1)c1ccccc1F ZINC000527960829 330300571 /nfs/dbraw/zinc/30/05/71/330300571.db2.gz FJMWSCSRMFPZBJ-QGZVFWFLSA-N 0 1 297.377 3.953 20 0 CHADMN CC(C)CO[C@@H]1C[C@H](N[C@@H](C)c2ncccc2F)C1(C)C ZINC000528036259 330302650 /nfs/dbraw/zinc/30/26/50/330302650.db2.gz QNNWSZRXVMBXOS-AEGPPILISA-N 0 1 294.414 3.711 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ncccc1F ZINC000528038238 330303223 /nfs/dbraw/zinc/30/32/23/330303223.db2.gz RMWUOFLOBPDCQZ-IACUBPJLSA-N 0 1 294.414 3.854 20 0 CHADMN Cc1cccc([C@@H](N[C@H](C)c2ccn(C)n2)C(C)C)c1 ZINC000528012201 330304094 /nfs/dbraw/zinc/30/40/94/330304094.db2.gz RDCYAJHIQVDHMF-PBHICJAKSA-N 0 1 271.408 3.776 20 0 CHADMN Cc1cccc([C@@H](N[C@@H](C)c2ccn(C)n2)C(C)C)c1 ZINC000528012204 330304120 /nfs/dbraw/zinc/30/41/20/330304120.db2.gz RDCYAJHIQVDHMF-YOEHRIQHSA-N 0 1 271.408 3.776 20 0 CHADMN Fc1ccc2c(c1)nccc2NCC[C@H]1CCCOC1 ZINC000528072167 330307012 /nfs/dbraw/zinc/30/70/12/330307012.db2.gz ILOBLSBIDKCJGE-GFCCVEGCSA-N 0 1 274.339 3.603 20 0 CHADMN C[C@H]1CCC[C@H]1C[NH2+]Cc1cccc([O-])c1Cl ZINC000328065423 330307527 /nfs/dbraw/zinc/30/75/27/330307527.db2.gz AUMRUPQEKKMPIC-QWRGUYRKSA-N 0 1 253.773 3.571 20 0 CHADMN C[C@H](N[C@@H]1CCCOc2ccc(F)cc21)c1ccoc1 ZINC000536877548 330310885 /nfs/dbraw/zinc/31/08/85/330310885.db2.gz PFCPYENTKNCSRB-XHDPSFHLSA-N 0 1 275.323 3.983 20 0 CHADMN CC[C@H](NCc1cc(C)ccn1)c1ccc(F)cc1 ZINC000328117910 330315179 /nfs/dbraw/zinc/31/51/79/330315179.db2.gz PWMVIQQXYZJOEY-INIZCTEOSA-N 0 1 258.340 3.770 20 0 CHADMN Cc1ccc([C@@H](C)NCc2sc(C)nc2C)o1 ZINC000076865326 330317650 /nfs/dbraw/zinc/31/76/50/330317650.db2.gz PVOJGCDYMAICRI-SECBINFHSA-N 0 1 250.367 3.512 20 0 CHADMN C/C(Cl)=C\CN1CC=C(c2ccc(O)cc2)CC1 ZINC000528338774 330319510 /nfs/dbraw/zinc/31/95/10/330319510.db2.gz HZNBJTAQYWFXPP-WUXMJOGZSA-N 0 1 263.768 3.624 20 0 CHADMN CC1CCC(N(C)Cc2ncccc2Cl)CC1 ZINC000528342933 330319855 /nfs/dbraw/zinc/31/98/55/330319855.db2.gz WCUIGPYNUGBKRS-UHFFFAOYSA-N 0 1 252.789 3.746 20 0 CHADMN CN(C)c1cc(Cl)cc(Cl)c1CN[C@@H]1CC12CC2 ZINC000424185185 330320443 /nfs/dbraw/zinc/32/04/43/330320443.db2.gz ONOWHMHMWCMGAY-CYBMUJFWSA-N 0 1 285.218 3.702 20 0 CHADMN CCSc1cccc(CNCc2cncn2C(C)C)c1 ZINC000424180265 330320950 /nfs/dbraw/zinc/32/09/50/330320950.db2.gz NSNMEUZLCOVBLB-UHFFFAOYSA-N 0 1 289.448 3.866 20 0 CHADMN Fc1ccc(-c2nc(CN[C@@H]3CC34CC4)cs2)cc1 ZINC000424188198 330321976 /nfs/dbraw/zinc/32/19/76/330321976.db2.gz XMPCBWMRKGUFKM-CYBMUJFWSA-N 0 1 274.364 3.591 20 0 CHADMN CCN(CC(=O)c1c(C)[nH]c2ccccc21)C1CCC1 ZINC000532976424 330323743 /nfs/dbraw/zinc/32/37/43/330323743.db2.gz HWDQOAAUYGEAEZ-UHFFFAOYSA-N 0 1 270.376 3.533 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc3ccccc3c2)on1 ZINC000044299354 330327400 /nfs/dbraw/zinc/32/74/00/330327400.db2.gz JOENHWPLPUPNOD-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CCCC1CCCC1 ZINC000424254931 330332311 /nfs/dbraw/zinc/33/23/11/330332311.db2.gz HJFMLXINOBNTSY-OAHLLOKOSA-N 0 1 267.413 3.676 20 0 CHADMN C[C@H]1C[C@H](CC[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])C[C@@H](C)C1 ZINC000424270494 330333132 /nfs/dbraw/zinc/33/31/32/330333132.db2.gz NPHIYNFAAPERNG-NPJQDHAYSA-N 0 1 281.440 3.634 20 0 CHADMN COc1ccc([C@H](C)NCc2scnc2C)c(Cl)c1 ZINC000424314565 330339182 /nfs/dbraw/zinc/33/91/82/330339182.db2.gz ORAUPANZYISVBH-VIFPVBQESA-N 0 1 296.823 3.964 20 0 CHADMN COc1ccc([C@H](C)NCc2ccn(C)c2)c(Cl)c1 ZINC000424328302 330341611 /nfs/dbraw/zinc/34/16/11/330341611.db2.gz ZQUQEVXIAKJCMN-NSHDSACASA-N 0 1 278.783 3.538 20 0 CHADMN Cc1cccc([C@H](C)c2nc(C3(N)CCCCC3)no2)c1 ZINC000424343608 330344479 /nfs/dbraw/zinc/34/44/79/330344479.db2.gz JYYNUCOXHXRMRV-ZDUSSCGKSA-N 0 1 285.391 3.648 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000424414364 330350478 /nfs/dbraw/zinc/35/04/78/330350478.db2.gz HJQNRTQTIKZZOD-YCPHGPKFSA-N 0 1 281.440 3.778 20 0 CHADMN C[C@H]1CCC[N@@H+](CCC2CCCCCC2)[C@H]1C(=O)[O-] ZINC000424423285 330351616 /nfs/dbraw/zinc/35/16/16/330351616.db2.gz UVBDRRYUAJSQIQ-DZGCQCFKSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)N(Cc1nccn1Cc1ccccc1)CC1CC1 ZINC000533358237 330359531 /nfs/dbraw/zinc/35/95/31/330359531.db2.gz OOSAFUAPRJTHCL-UHFFFAOYSA-N 0 1 283.419 3.552 20 0 CHADMN Cc1nc(C)c(CN(CCC(F)(F)F)CC2CC2)s1 ZINC000084138343 330361293 /nfs/dbraw/zinc/36/12/93/330361293.db2.gz HRSGKDJIZXHLCV-UHFFFAOYSA-N 0 1 292.370 3.924 20 0 CHADMN COCCCCN(C)Cc1cccc(Cl)c1Cl ZINC000117870793 330366152 /nfs/dbraw/zinc/36/61/52/330366152.db2.gz ZWIKBBSDJGOZIJ-UHFFFAOYSA-N 0 1 276.207 3.852 20 0 CHADMN Cc1csc(C(C)(C)NCCO[C@H]2CCCC[C@@H]2C)n1 ZINC000118849489 330368281 /nfs/dbraw/zinc/36/82/81/330368281.db2.gz LOZLEXWPZZYWRO-JSGCOSHPSA-N 0 1 296.480 3.872 20 0 CHADMN Cc1nccn1-c1ccc([C@H](C)NCc2ccco2)cc1 ZINC000086279465 330369082 /nfs/dbraw/zinc/36/90/82/330369082.db2.gz DCMJCYNQLKHUAK-ZDUSSCGKSA-N 0 1 281.359 3.625 20 0 CHADMN Cc1cccnc1CNCc1ccc2ccccc2c1 ZINC000071338969 330372279 /nfs/dbraw/zinc/37/22/79/330372279.db2.gz WUKHTLQDIXHLFU-UHFFFAOYSA-N 0 1 262.356 3.833 20 0 CHADMN C[C@@H]1C[C@H](C)CCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000119354106 330372602 /nfs/dbraw/zinc/37/26/02/330372602.db2.gz DFIBTEPLEFVOJT-GHMZBOCLSA-N 0 1 281.783 3.554 20 0 CHADMN CN(CCCC(=O)c1ccccc1)CCC(F)(F)F ZINC000088431915 330376187 /nfs/dbraw/zinc/37/61/87/330376187.db2.gz FFVRSPGAVBIZEG-UHFFFAOYSA-N 0 1 273.298 3.534 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCC(c2ccccc2)CC1 ZINC000119564667 330376268 /nfs/dbraw/zinc/37/62/68/330376268.db2.gz PCXZZDFPNMKXSE-UHFFFAOYSA-N 0 1 299.345 3.551 20 0 CHADMN C[C@@H]1CCCC[C@H]1N(C)Cc1nc(C2CCCC2)no1 ZINC000119978203 330382657 /nfs/dbraw/zinc/38/26/57/330382657.db2.gz XSANKNCXGKIQFL-TZMCWYRMSA-N 0 1 277.412 3.738 20 0 CHADMN CCCc1nc(CN(C)CC2CCCC2)cs1 ZINC000058411072 330388484 /nfs/dbraw/zinc/38/84/84/330388484.db2.gz GAZCHCMCLBZLRN-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN C[C@@]1(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)C[C@H]1F ZINC000424587627 330391365 /nfs/dbraw/zinc/39/13/65/330391365.db2.gz AJTOFQFPWXMKMV-CZUORRHYSA-N 0 1 299.305 3.510 20 0 CHADMN Clc1sc(Cl)c2c1CCC[C@@H]2N[C@@H]1CCOC1 ZINC000090774030 330395996 /nfs/dbraw/zinc/39/59/96/330395996.db2.gz KXZUFIYKMYWJOE-APPZFPTMSA-N 0 1 292.231 3.811 20 0 CHADMN CC(C)(C)c1ccc(C(C)(C)NCc2ccno2)cc1 ZINC000537103557 330399000 /nfs/dbraw/zinc/39/90/00/330399000.db2.gz FEVLCBBEAAFASF-UHFFFAOYSA-N 0 1 272.392 3.997 20 0 CHADMN C[C@@H](NCc1cccc(F)c1)c1cccc(F)c1F ZINC000121943171 330408844 /nfs/dbraw/zinc/40/88/44/330408844.db2.gz HBNRCLSQDMYDOE-SNVBAGLBSA-N 0 1 265.278 3.955 20 0 CHADMN Cc1cscc1CNCc1ccc(F)c(F)c1 ZINC000094877052 330429629 /nfs/dbraw/zinc/42/96/29/330429629.db2.gz WWIRRNJCNSHCDA-UHFFFAOYSA-N 0 1 253.317 3.625 20 0 CHADMN CCc1ccc(CN[C@H](C)[C@H](OC)c2ccccc2F)o1 ZINC000537384542 330435516 /nfs/dbraw/zinc/43/55/16/330435516.db2.gz SOOYVDBIMLLJHA-PXAZEXFGSA-N 0 1 291.366 3.847 20 0 CHADMN CCC1([NH2+]Cc2cccc([O-])c2Br)CCC1 ZINC000315300814 330473925 /nfs/dbraw/zinc/47/39/25/330473925.db2.gz XWEMMCTZZDJXIG-UHFFFAOYSA-N 0 1 284.197 3.577 20 0 CHADMN C[C@@H]1CC(NC(=O)c2ccc(O)c(Cl)c2)C[C@@H](C)C1 ZINC000084461761 330485865 /nfs/dbraw/zinc/48/58/65/330485865.db2.gz ZPNPFBXKGJSHMG-UWVGGRQHSA-N 0 1 281.783 3.600 20 0 CHADMN O=c1nc(C2CC2)[nH]c2cc(-c3ccc(F)cc3)sc21 ZINC000516550811 330494793 /nfs/dbraw/zinc/49/47/93/330494793.db2.gz LQXPFBJNTOVKHE-UHFFFAOYSA-N 0 1 286.331 3.668 20 0 CHADMN CCc1nc(C)c(CN[C@H](C)c2cc3c(s2)CCC3)o1 ZINC000426294195 330503105 /nfs/dbraw/zinc/50/31/05/330503105.db2.gz SPOXQPKKLBFNAN-LLVKDONJSA-N 0 1 290.432 3.946 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cccc2F)c1ccccn1 ZINC000147675245 330524202 /nfs/dbraw/zinc/52/42/02/330524202.db2.gz KLNKBBYOXNOYLR-MEDUHNTESA-N 0 1 256.324 3.559 20 0 CHADMN CC[C@@H]1CCC[C@@H]1NCc1nc(CCc2ccccc2)no1 ZINC000429792793 330555067 /nfs/dbraw/zinc/55/50/67/330555067.db2.gz UZHQNURABBEJDT-CVEARBPZSA-N 0 1 299.418 3.523 20 0 CHADMN C[C@@H](CCC1CC1)NCc1c(F)cc(F)c(F)c1F ZINC000430721312 330571405 /nfs/dbraw/zinc/57/14/05/330571405.db2.gz CDXHBHVGCJYSAC-QMMMGPOBSA-N 0 1 275.289 3.911 20 0 CHADMN CC1(C)CC[C@H]1NC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436790922 330685321 /nfs/dbraw/zinc/68/53/21/330685321.db2.gz JRGCSCPVVGMREM-SNVBAGLBSA-N 0 1 288.174 3.617 20 0 CHADMN Cc1noc(-c2cc(Cl)c3ccccc3c2O)n1 ZINC000436890640 330687658 /nfs/dbraw/zinc/68/76/58/330687658.db2.gz VCYBLJORTOLDNI-UHFFFAOYSA-N 0 1 260.680 3.557 20 0 CHADMN C[C@H](N[C@H]1CCCC[C@H](c2ccccc2)C1)c1ncn(C)n1 ZINC000438552774 330727110 /nfs/dbraw/zinc/72/71/10/330727110.db2.gz JCQFXCLKEYRRAO-XIRDDKMYSA-N 0 1 298.434 3.582 20 0 CHADMN CO[C@@H]1C[C@@H](Nc2ccnc3cc(F)ccc32)C1(C)C ZINC000440209203 330746608 /nfs/dbraw/zinc/74/66/08/330746608.db2.gz BNCNSMNNZCYLTR-HUUCEWRRSA-N 0 1 274.339 3.599 20 0 CHADMN CC(C)(NCCOc1ccccc1Cl)c1nccs1 ZINC000440476774 330748913 /nfs/dbraw/zinc/74/89/13/330748913.db2.gz JEDIUPZSTVACDC-UHFFFAOYSA-N 0 1 296.823 3.700 20 0 CHADMN Cc1cc(CN[C@H]2CC(C)(C)CCc3ccccc32)nn1C ZINC000440624965 330752827 /nfs/dbraw/zinc/75/28/27/330752827.db2.gz BSMDECYKEJUAFK-SFHVURJKSA-N 0 1 297.446 3.922 20 0 CHADMN Fc1cccc2c1OCC[C@@H]2NCc1cccc2cc[nH]c21 ZINC000442995077 330792457 /nfs/dbraw/zinc/79/24/57/330792457.db2.gz ATDZFBUVYROCDU-INIZCTEOSA-N 0 1 296.345 3.920 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000443410143 330798968 /nfs/dbraw/zinc/79/89/68/330798968.db2.gz YWLBRQMOVZGMFV-RYUDHWBXSA-N 0 1 287.325 3.623 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000443611727 330802694 /nfs/dbraw/zinc/80/26/94/330802694.db2.gz AJBFVERSRYSXAS-VXGBXAGGSA-N 0 1 291.345 3.523 20 0 CHADMN CC[C@H](NCc1cnoc1C)c1ccc(Cl)s1 ZINC000445773013 330836004 /nfs/dbraw/zinc/83/60/04/330836004.db2.gz JDWAHLLEKGNFKR-JTQLQIEISA-N 0 1 270.785 3.939 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2CC(C)(C)C[C@H]2C)no1 ZINC000446793424 330854200 /nfs/dbraw/zinc/85/42/00/330854200.db2.gz DQTQSJGCCGTJFC-UKRRQHHQSA-N 0 1 299.418 3.959 20 0 CHADMN CN(C)Cc1ccsc1C(=O)NC1CCC(C)(C)CC1 ZINC000446921235 330857858 /nfs/dbraw/zinc/85/78/58/330857858.db2.gz FMTGIDUJGCHVSU-UHFFFAOYSA-N 0 1 294.464 3.508 20 0 CHADMN CC[C@@H](NCc1ccc(OC(F)F)cn1)c1ccccc1 ZINC000447026751 330859881 /nfs/dbraw/zinc/85/98/81/330859881.db2.gz JEXVCKHBPYGNKE-OAHLLOKOSA-N 0 1 292.329 3.924 20 0 CHADMN Clc1ccc(CNCc2ccnn2-c2ccccc2)cc1 ZINC000447933464 330880454 /nfs/dbraw/zinc/88/04/54/330880454.db2.gz UFVADOGWVXZEMQ-UHFFFAOYSA-N 0 1 297.789 3.816 20 0 CHADMN C(=C\C1CCCCC1)\c1nc(-c2ccn3cncc3c2)no1 ZINC000447953998 330881161 /nfs/dbraw/zinc/88/11/61/330881161.db2.gz MINYRGBBJHVDFU-SREVYHEPSA-N 0 1 294.358 3.978 20 0 CHADMN Cc1ccccc1[C@@H](N)C(=O)Nc1ccc(C(C)C)cc1 ZINC000449067316 330896740 /nfs/dbraw/zinc/89/67/40/330896740.db2.gz KJADGYKVVZAVCN-QGZVFWFLSA-N 0 1 282.387 3.757 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1ccnn1C1CCCC1 ZINC000449097825 330898798 /nfs/dbraw/zinc/89/87/98/330898798.db2.gz NPQXHVCLFLVVSD-SFHVURJKSA-N 0 1 299.393 3.914 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccncc2F)cc1C ZINC000449106434 330899472 /nfs/dbraw/zinc/89/94/72/330899472.db2.gz LZTKQRYYCKBBSQ-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1cncc(CNCc2ccccc2OCC(C)C)c1 ZINC000449202028 330905972 /nfs/dbraw/zinc/90/59/72/330905972.db2.gz FOUMIYYGEHJFSQ-UHFFFAOYSA-N 0 1 284.403 3.715 20 0 CHADMN CC[C@@H](NCc1csc(C)c1)c1c(C)noc1C ZINC000449216752 330906834 /nfs/dbraw/zinc/90/68/34/330906834.db2.gz VABSKMOSFCBPRD-CYBMUJFWSA-N 0 1 264.394 3.902 20 0 CHADMN Fc1c(Br)cccc1CN[C@@H]1CCC[C@@H]1F ZINC000449344565 330916598 /nfs/dbraw/zinc/91/65/98/330916598.db2.gz RPFDMTKEQXXEKH-WDEREUQCSA-N 0 1 290.151 3.568 20 0 CHADMN C[C@@H](N[C@H](C)C(C)(F)F)C1CCC(F)(F)CC1 ZINC000449416878 330923967 /nfs/dbraw/zinc/92/39/67/330923967.db2.gz VYGDYVDEQSOJBX-RKDXNWHRSA-N 0 1 255.299 3.834 20 0 CHADMN CC(C)Cn1cc(CN[C@@H]2C[C@@H](C)Oc3ccccc32)cn1 ZINC000449427683 330924952 /nfs/dbraw/zinc/92/49/52/330924952.db2.gz SMFYKUGTMUFPSF-RHSMWYFYSA-N 0 1 299.418 3.541 20 0 CHADMN FC(F)(F)c1cnc(CNCC2CCCCCC2)nc1 ZINC000449467078 330928031 /nfs/dbraw/zinc/92/80/31/330928031.db2.gz KOIXHLWVEXTZRG-UHFFFAOYSA-N 0 1 287.329 3.555 20 0 CHADMN CCc1nc(CNC2(Cc3ccc(F)cc3)CC2)cs1 ZINC000449568444 330937486 /nfs/dbraw/zinc/93/74/86/330937486.db2.gz ZHZCLXDQRRZOOT-UHFFFAOYSA-N 0 1 290.407 3.710 20 0 CHADMN Cc1cccc(CN[C@H](C)c2ccc3ncsc3c2)n1 ZINC000450764924 330998883 /nfs/dbraw/zinc/99/88/83/330998883.db2.gz QSMIDBGADCOEPJ-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@H]1c1ccccc1)c1csnn1 ZINC000450874128 331004089 /nfs/dbraw/zinc/00/40/89/331004089.db2.gz UKSLLHKXQWHSRX-KWCYVHTRSA-N 0 1 273.405 3.525 20 0 CHADMN Fc1ccc2c(c1)nccc2NCCC[C@@H]1CCOC1 ZINC000450890685 331005150 /nfs/dbraw/zinc/00/51/50/331005150.db2.gz WKCBNUHPSULHDV-GFCCVEGCSA-N 0 1 274.339 3.603 20 0 CHADMN COC[C@@H]1CCCN(c2ccnc3cc(F)ccc32)CC1 ZINC000450949747 331008417 /nfs/dbraw/zinc/00/84/17/331008417.db2.gz TXAONLVCOLWMAL-CYBMUJFWSA-N 0 1 288.366 3.627 20 0 CHADMN CCC(CC)N(CC)Cc1nnc(C(C)C)s1 ZINC000451036011 331012810 /nfs/dbraw/zinc/01/28/10/331012810.db2.gz CYQIRGLUWRYJOM-UHFFFAOYSA-N 0 1 255.431 3.672 20 0 CHADMN O=C(CCCN1CCCc2occc2C1)c1ccccc1 ZINC000451036427 331012925 /nfs/dbraw/zinc/01/29/25/331012925.db2.gz KPSZMVKZEYXZJN-UHFFFAOYSA-N 0 1 283.371 3.691 20 0 CHADMN C[C@H]1CN(Cc2ccccc2OC2CC2)CCC1(F)F ZINC000451040729 331013203 /nfs/dbraw/zinc/01/32/03/331013203.db2.gz HIYVGVKUBLKXPZ-LBPRGKRZSA-N 0 1 281.346 3.705 20 0 CHADMN CC(C)c1nnc(CN2CC(C)(C)[C@@H]3CCC[C@H]32)s1 ZINC000451073499 331014899 /nfs/dbraw/zinc/01/48/99/331014899.db2.gz KPRJUJGRPSSZKY-VXGBXAGGSA-N 0 1 279.453 3.672 20 0 CHADMN CC[C@H](CC(C)C)C(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000451161063 331018073 /nfs/dbraw/zinc/01/80/73/331018073.db2.gz JHZWKKVIHDLLNT-RWMBFGLXSA-N 0 1 294.443 3.568 20 0 CHADMN CO[C@@H]1C[C@H](NCc2csc(C3CCCC3)n2)C1(C)C ZINC000451494595 331031536 /nfs/dbraw/zinc/03/15/36/331031536.db2.gz KZORSNCMWDDJPI-UONOGXRCSA-N 0 1 294.464 3.704 20 0 CHADMN CCO[C@@H]1CCN([C@@H](C)c2c(F)cccc2F)C[C@@H]1C ZINC000451542625 331033244 /nfs/dbraw/zinc/03/32/44/331033244.db2.gz NUFIDVLWIVAEMJ-SLEUVZQESA-N 0 1 283.362 3.773 20 0 CHADMN C[C@@H](F)CCN1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451879678 331046102 /nfs/dbraw/zinc/04/61/02/331046102.db2.gz SCLACDQKVNHBCF-IUODEOHRSA-N 0 1 275.371 3.838 20 0 CHADMN Fc1ccc([C@H]2CCCN2CCOC2CCC2)c(F)c1 ZINC000451973530 331049030 /nfs/dbraw/zinc/04/90/30/331049030.db2.gz QSPBLSIHAZXVFP-MRXNPFEDSA-N 0 1 281.346 3.671 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccc(F)cc2C)on1 ZINC000451973798 331049102 /nfs/dbraw/zinc/04/91/02/331049102.db2.gz RGLBMTNJVDAQBS-INIZCTEOSA-N 0 1 274.339 3.768 20 0 CHADMN Fc1ccc([C@H]2CCCN2CCOCC2CC2)c(F)c1 ZINC000451976270 331049204 /nfs/dbraw/zinc/04/92/04/331049204.db2.gz YAGNBNPEBPILJJ-MRXNPFEDSA-N 0 1 281.346 3.528 20 0 CHADMN C[C@@H]1CCC[C@]1(C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000451983521 331049410 /nfs/dbraw/zinc/04/94/10/331049410.db2.gz UYGJAJDUCTYXAS-CLAHSXSESA-N 0 1 285.746 3.950 20 0 CHADMN CC(C)(C)C[C@H]1CCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000452069336 331052711 /nfs/dbraw/zinc/05/27/11/331052711.db2.gz DSAHIUYPLAXCPO-GFCCVEGCSA-N 0 1 289.379 3.588 20 0 CHADMN Cc1ccc2nc(NC(=O)C3(C(F)(F)F)CCC3)[nH]c2c1 ZINC000452119822 331054972 /nfs/dbraw/zinc/05/49/72/331054972.db2.gz LJNLYMJOTWNIDZ-UHFFFAOYSA-N 0 1 297.280 3.542 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@@H](C)c1cnn(C)c1C ZINC000194848121 331064731 /nfs/dbraw/zinc/06/47/31/331064731.db2.gz RYTHDDQZKJSVKP-NEPJUHHUSA-N 0 1 289.448 3.862 20 0 CHADMN CC(C)C[C@]1(C)CCCN1C(=O)c1[nH]nc2ccccc21 ZINC000452512244 331067000 /nfs/dbraw/zinc/06/70/00/331067000.db2.gz OPBREMUEVLTMKQ-KRWDZBQOSA-N 0 1 285.391 3.604 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1c(C)nn(C)c1C ZINC000194876399 331069779 /nfs/dbraw/zinc/06/97/79/331069779.db2.gz LJVZYPDNVCJETC-LLVKDONJSA-N 0 1 289.448 3.610 20 0 CHADMN COc1cccc(CN[C@@H](C)c2csc(C)c2)c1OC ZINC000453061503 331085535 /nfs/dbraw/zinc/08/55/35/331085535.db2.gz OEYYTDRFDKLZSL-LBPRGKRZSA-N 0 1 291.416 3.925 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@H](C)c2ccncn2)c1 ZINC000453103594 331089511 /nfs/dbraw/zinc/08/95/11/331089511.db2.gz BJHMPJSOWCMJSL-UONOGXRCSA-N 0 1 255.365 3.505 20 0 CHADMN CC/C(C)=C/c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000453116390 331090749 /nfs/dbraw/zinc/09/07/49/331090749.db2.gz WIOHOUPCDJXTBI-DHZHZOJOSA-N 0 1 289.354 3.751 20 0 CHADMN Cc1ccccc1[C@H](N[C@H](C)c1ccncn1)C1CC1 ZINC000453120656 331091199 /nfs/dbraw/zinc/09/11/99/331091199.db2.gz MWPRWPUXKGIMPV-CXAGYDPISA-N 0 1 267.376 3.587 20 0 CHADMN CC(C)C[C@H](C)N(C)C(=O)CNc1ccc2cnccc2c1 ZINC000453150865 331094484 /nfs/dbraw/zinc/09/44/84/331094484.db2.gz SXWUXFQWGOGXAS-AWEZNQCLSA-N 0 1 299.418 3.540 20 0 CHADMN CC[C@H](N[C@@H](CCOC)c1ccc(C)o1)c1ccncc1 ZINC000453192594 331099553 /nfs/dbraw/zinc/09/95/53/331099553.db2.gz BSYLHILWDBEWCQ-HOTGVXAUSA-N 0 1 288.391 3.802 20 0 CHADMN C[C@@H]1CCCc2ccccc2[C@H]1N[C@@H]1CCn2ccnc21 ZINC000453195556 331100002 /nfs/dbraw/zinc/10/00/02/331100002.db2.gz KTGJPSAINLQDSB-XYPHTWIQSA-N 0 1 281.403 3.631 20 0 CHADMN C[C@H]1CC[C@H](NCc2nnc3ccccn32)c2sccc21 ZINC000453196295 331100092 /nfs/dbraw/zinc/10/00/92/331100092.db2.gz LGKQBKZWIUADGT-AAEUAGOBSA-N 0 1 298.415 3.519 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H](C)c1csc(C)c1 ZINC000453207396 331101485 /nfs/dbraw/zinc/10/14/85/331101485.db2.gz ALQPUSZQJVVICQ-NEPJUHHUSA-N 0 1 276.405 3.872 20 0 CHADMN CC[C@@H](N[C@@H](c1nccn1C)C1CC1)c1ccsc1 ZINC000453208652 331101569 /nfs/dbraw/zinc/10/15/69/331101569.db2.gz JLCCXQCJQQOYSG-ZIAGYGMSSA-N 0 1 275.421 3.674 20 0 CHADMN CC[C@H](N[C@@H](c1nccn1C)C1CC1)c1ccsc1 ZINC000453208651 331101648 /nfs/dbraw/zinc/10/16/48/331101648.db2.gz JLCCXQCJQQOYSG-UONOGXRCSA-N 0 1 275.421 3.674 20 0 CHADMN COCCCC[C@H](N[C@H](C)c1ccncn1)c1ccccc1 ZINC000453223417 331103327 /nfs/dbraw/zinc/10/33/27/331103327.db2.gz RFOATYIAQCKRKE-QAPCUYQASA-N 0 1 299.418 3.685 20 0 CHADMN CC[C@@H](NCc1c2c(nn1C)CCCC2)c1ccsc1 ZINC000453225781 331103798 /nfs/dbraw/zinc/10/37/98/331103798.db2.gz BULHCUWFBLGZQB-CQSZACIVSA-N 0 1 289.448 3.601 20 0 CHADMN C[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccccc1C(C)(C)C ZINC000453278015 331110182 /nfs/dbraw/zinc/11/01/82/331110182.db2.gz OWPGVLTYCZZQDG-GFCCVEGCSA-N 0 1 298.434 3.830 20 0 CHADMN COc1ccc([C@H]2C[C@@H]2[C@@H](C)N[C@@H](C)C(C)(F)F)cc1 ZINC000453278446 331110357 /nfs/dbraw/zinc/11/03/57/331110357.db2.gz FDUJBKYSYWXUCA-BAESOJJISA-N 0 1 283.362 3.821 20 0 CHADMN C[C@@H](N[C@H](C)C(C)(F)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000453283904 331110842 /nfs/dbraw/zinc/11/08/42/331110842.db2.gz ITURVLCMUGAKRY-RFHZTLPTSA-N 0 1 253.336 3.812 20 0 CHADMN CC[C@@H]1CCC[C@@H]1CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000453291183 331111839 /nfs/dbraw/zinc/11/18/39/331111839.db2.gz SKNPUUUVUDXETA-OIISXLGYSA-N 0 1 283.419 3.915 20 0 CHADMN Cc1csc(CN[C@H](C)c2ccc(Cl)cn2)c1 ZINC000453319063 331115993 /nfs/dbraw/zinc/11/59/93/331115993.db2.gz NCSSUGMPXGVNKQ-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1c([C@H](C)NCc2cnccc2C)cnn1C(C)(C)C ZINC000453319142 331116022 /nfs/dbraw/zinc/11/60/22/331116022.db2.gz CTTWNGPKQIWEOU-ZDUSSCGKSA-N 0 1 286.423 3.501 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cnc(C3CC3)o2)cc1 ZINC000453335472 331118333 /nfs/dbraw/zinc/11/83/33/331118333.db2.gz AEOGCCBLIQUDKV-GFCCVEGCSA-N 0 1 270.376 3.965 20 0 CHADMN Cc1cc(Br)c(CN[C@@H]2CCC[C@@H]2F)s1 ZINC000453598924 331135701 /nfs/dbraw/zinc/13/57/01/331135701.db2.gz OVGJFEXASQMRPK-VHSXEESVSA-N 0 1 292.217 3.799 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2ccc(Cl)cn2)cn1 ZINC000453338055 331118846 /nfs/dbraw/zinc/11/88/46/331118846.db2.gz AXJGETNQPGWQPM-GFCCVEGCSA-N 0 1 275.783 3.598 20 0 CHADMN c1nc(C2CC2)oc1CN[C@@H]1CCCc2ccccc21 ZINC000453355684 331121527 /nfs/dbraw/zinc/12/15/27/331121527.db2.gz MOYQPXCITWLLDZ-MRXNPFEDSA-N 0 1 268.360 3.719 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2ccc(CC)cc2)o1 ZINC000453369089 331123732 /nfs/dbraw/zinc/12/37/32/331123732.db2.gz NAOAPIMDOMQWEO-LBPRGKRZSA-N 0 1 258.365 3.650 20 0 CHADMN c1cc2c(s1)CCC[C@@H]2NCc1cnc(C2CC2)o1 ZINC000453371694 331124166 /nfs/dbraw/zinc/12/41/66/331124166.db2.gz UPMVWRUKOOYTHA-ZDUSSCGKSA-N 0 1 274.389 3.781 20 0 CHADMN CCc1ncc(CN[C@@H]2CCCc3cc(F)ccc32)o1 ZINC000453393456 331127697 /nfs/dbraw/zinc/12/76/97/331127697.db2.gz RSLQDANJWLODLT-OAHLLOKOSA-N 0 1 274.339 3.543 20 0 CHADMN CCc1ncc(CN[C@@H]2CC[C@@H](C)c3ccccc32)o1 ZINC000453394657 331127840 /nfs/dbraw/zinc/12/78/40/331127840.db2.gz SMFLMGSLLILSDK-MLGOLLRUSA-N 0 1 270.376 3.965 20 0 CHADMN C[C@H](CC(C)(C)C)N[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000453442064 331131996 /nfs/dbraw/zinc/13/19/96/331131996.db2.gz XVIVRFVUDNLAOQ-UKRRQHHQSA-N 0 1 271.408 3.913 20 0 CHADMN CC[C@]1(C(C)C)C[C@@H]1N[C@@H](c1ccccc1)c1cncnc1 ZINC000453458270 331132518 /nfs/dbraw/zinc/13/25/18/331132518.db2.gz VUUDSXLZDUCDQY-GBESFXJTSA-N 0 1 295.430 3.980 20 0 CHADMN CCC1CN(Cc2cnc(-c3cccs3)s2)C1 ZINC000453607355 331136215 /nfs/dbraw/zinc/13/62/15/331136215.db2.gz SJQXHSOFAUISDH-UHFFFAOYSA-N 0 1 264.419 3.713 20 0 CHADMN Cc1nn(C)cc1CN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000453617240 331136800 /nfs/dbraw/zinc/13/68/00/331136800.db2.gz RDFQXVUJYKRTJM-GOSISDBHSA-N 0 1 295.430 3.846 20 0 CHADMN CC[C@@H]1C[C@@H](CNc2ccc3cnccc3c2)CCO1 ZINC000453622337 331136931 /nfs/dbraw/zinc/13/69/31/331136931.db2.gz VJTZUBSGVOTPBH-SUMWQHHRSA-N 0 1 270.376 3.852 20 0 CHADMN C[C@@H]1CC[C@@H](CNCc2csc(-c3ccsc3)n2)O1 ZINC000453636290 331137373 /nfs/dbraw/zinc/13/73/73/331137373.db2.gz WMFFGCXHPJMJEC-MFKMUULPSA-N 0 1 294.445 3.529 20 0 CHADMN C[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000455635260 331174427 /nfs/dbraw/zinc/17/44/27/331174427.db2.gz WTTMNILBVQPHKK-LJQANCHMSA-N 0 1 295.382 3.548 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C1=CC[C@@H](C)CC1 ZINC000456017724 331182536 /nfs/dbraw/zinc/18/25/36/331182536.db2.gz DFALNSIPAHZROE-SNVBAGLBSA-N 0 1 269.348 3.556 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000457000763 331209862 /nfs/dbraw/zinc/20/98/62/331209862.db2.gz LMGKPPLFMXUFSJ-DYEKYZERSA-N 0 1 291.439 3.786 20 0 CHADMN CC(C)[C@H]1N(C(=O)c2cccc3n[nH]cc32)CC12CCCC2 ZINC000457167210 331213594 /nfs/dbraw/zinc/21/35/94/331213594.db2.gz MWLNVEUDQKEYPD-MRXNPFEDSA-N 0 1 297.402 3.604 20 0 CHADMN CC1(C)CCC[C@H](CC(=O)NCc2ccc3cncn3c2)C1 ZINC000457973284 331238331 /nfs/dbraw/zinc/23/83/31/331238331.db2.gz HYKSNLCBLMNHEP-CQSZACIVSA-N 0 1 299.418 3.557 20 0 CHADMN CN(C(=O)c1cc(C2CCCCC2)[nH]n1)C1CC(C)(C)C1 ZINC000458183473 331244496 /nfs/dbraw/zinc/24/44/96/331244496.db2.gz JTVXEHLAFXLRJO-UHFFFAOYSA-N 0 1 289.423 3.718 20 0 CHADMN C[C@H]1c2cccn2CC[N@@H+]1CC1CCC(F)(F)CC1 ZINC000459297755 331275226 /nfs/dbraw/zinc/27/52/26/331275226.db2.gz RVRJKPFMPRSZGD-LBPRGKRZSA-N 0 1 268.351 3.690 20 0 CHADMN C[C@H]1c2cccn2CCN1CC1CCC(F)(F)CC1 ZINC000459297755 331275227 /nfs/dbraw/zinc/27/52/27/331275227.db2.gz RVRJKPFMPRSZGD-LBPRGKRZSA-N 0 1 268.351 3.690 20 0 CHADMN c1ccc([C@@H]2C[C@H]2CN2CCO[C@H](c3ccccc3)C2)cc1 ZINC000459318686 331275950 /nfs/dbraw/zinc/27/59/50/331275950.db2.gz VRQOBEFZMBZMGN-UFYCRDLUSA-N 0 1 293.410 3.864 20 0 CHADMN c1csc([C@H]2CN(C[C@@H]3C[C@H]3c3ccccc3)CCO2)c1 ZINC000459330468 331276618 /nfs/dbraw/zinc/27/66/18/331276618.db2.gz TVOBPDCSTHKHTL-YESZJQIVSA-N 0 1 299.439 3.925 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@H]2C[C@@H](C)O)c(Cl)c1 ZINC000459348926 331277513 /nfs/dbraw/zinc/27/75/13/331277513.db2.gz RHJCGCRJPWUNAT-NEPJUHHUSA-N 0 1 285.790 3.523 20 0 CHADMN C[C@H](NCc1cnc(C2CC2)nc1)c1cc2ccccc2o1 ZINC000459386863 331279585 /nfs/dbraw/zinc/27/95/85/331279585.db2.gz ZAMPTZIIERHYOP-LBPRGKRZSA-N 0 1 293.370 3.951 20 0 CHADMN Cc1csc([C@H](NCCOCC2CCCC2)C2CC2)n1 ZINC000459394804 331279732 /nfs/dbraw/zinc/27/97/32/331279732.db2.gz HLBNODVHNOQPPY-OAHLLOKOSA-N 0 1 294.464 3.699 20 0 CHADMN Cc1cc(CNCC(C)(C)c2ccc(F)cc2Cl)no1 ZINC000459404027 331280037 /nfs/dbraw/zinc/28/00/37/331280037.db2.gz CELXISAFEDTBCT-UHFFFAOYSA-N 0 1 296.773 3.843 20 0 CHADMN Cc1ccn2cc(CNCc3ccc(C4CC4)cc3)nc2c1 ZINC000459413569 331280349 /nfs/dbraw/zinc/28/03/49/331280349.db2.gz UJSQIOPASUDTHZ-UHFFFAOYSA-N 0 1 291.398 3.810 20 0 CHADMN CC[C@H](CNCc1cc(C)on1)Oc1cccc(Cl)c1 ZINC000459440842 331281444 /nfs/dbraw/zinc/28/14/44/331281444.db2.gz OJVXYJLQDVHMNG-CQSZACIVSA-N 0 1 294.782 3.584 20 0 CHADMN Cc1cc(CNCCCOc2ccc3ccccc3c2)no1 ZINC000459449627 331281897 /nfs/dbraw/zinc/28/18/97/331281897.db2.gz TUWNLKBUTQRXBH-UHFFFAOYSA-N 0 1 296.370 3.695 20 0 CHADMN COCc1cc(CN(CC(C)(C)C)CC(C)(C)C)no1 ZINC000459552855 331287399 /nfs/dbraw/zinc/28/73/99/331287399.db2.gz VWCAWSRATGMUTE-UHFFFAOYSA-N 0 1 282.428 3.715 20 0 CHADMN Cc1noc([C@H]2CCCCN2C[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000459553666 331287464 /nfs/dbraw/zinc/28/74/64/331287464.db2.gz ZAGFYCIVLWVVBN-YESZJQIVSA-N 0 1 297.402 3.709 20 0 CHADMN c1cc(CN2CC(C3CCCC3)C2)n(C2CCCC2)n1 ZINC000459621281 331290844 /nfs/dbraw/zinc/29/08/44/331290844.db2.gz WMCCDOSURUZQCE-UHFFFAOYSA-N 0 1 273.424 3.620 20 0 CHADMN COCC1(C)CN(Cc2cccc(Oc3ccccc3)c2)C1 ZINC000459620001 331290928 /nfs/dbraw/zinc/29/09/28/331290928.db2.gz KCNOQHLNFACZIW-UHFFFAOYSA-N 0 1 297.398 3.947 20 0 CHADMN COCCC1(C)CN(Cc2ccc(OCC(C)C)cc2)C1 ZINC000459630603 331291187 /nfs/dbraw/zinc/29/11/87/331291187.db2.gz IRMGSYVUAFATFB-UHFFFAOYSA-N 0 1 291.435 3.580 20 0 CHADMN Cc1cc(CN2CC(COc3ccccc3)C2)cs1 ZINC000459634722 331291364 /nfs/dbraw/zinc/29/13/64/331291364.db2.gz ROAQDYPLDYKOJM-UHFFFAOYSA-N 0 1 273.401 3.567 20 0 CHADMN C[C@H](CCCc1cccnc1)NCc1ncc(Cl)s1 ZINC000459637070 331291548 /nfs/dbraw/zinc/29/15/48/331291548.db2.gz KTOCYQVJWRAJKB-LLVKDONJSA-N 0 1 295.839 3.693 20 0 CHADMN C[C@@H](NCc1cccc2[nH]ccc21)c1nc2c(s1)CCC2 ZINC000459644600 331291892 /nfs/dbraw/zinc/29/18/92/331291892.db2.gz FGASFEUGMBSZET-LLVKDONJSA-N 0 1 297.427 3.964 20 0 CHADMN CCCc1noc(CN(C)[C@@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000459682463 331294148 /nfs/dbraw/zinc/29/41/48/331294148.db2.gz YRZQBCHTBVURAX-HZPDHXFCSA-N 0 1 299.418 3.790 20 0 CHADMN CCOC[C@@H]1CCCCN1Cc1nc2ccccc2s1 ZINC000459727614 331296123 /nfs/dbraw/zinc/29/61/23/331296123.db2.gz YYRBAXBUYSMZRE-ZDUSSCGKSA-N 0 1 290.432 3.687 20 0 CHADMN CCC1(c2ccccc2)CN(C/C=C/c2ccncc2)C1 ZINC000459740778 331297453 /nfs/dbraw/zinc/29/74/53/331297453.db2.gz CZQSDAGAYXXAKG-VOTSOKGWSA-N 0 1 278.399 3.758 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN(C)C1CC(C)(C)C1 ZINC000459748429 331298128 /nfs/dbraw/zinc/29/81/28/331298128.db2.gz WZXKROHJGHFTTC-UHFFFAOYSA-N 0 1 288.435 3.869 20 0 CHADMN CC(C)n1ccnc1CN(C)[C@H](C)Cc1cccc(F)c1 ZINC000459758457 331298861 /nfs/dbraw/zinc/29/88/61/331298861.db2.gz IAYIWBIGZYOGPI-CQSZACIVSA-N 0 1 289.398 3.666 20 0 CHADMN Cc1nc(CN(C)[C@H](C)Cc2cccc(F)c2)c(C)s1 ZINC000459760172 331299009 /nfs/dbraw/zinc/29/90/09/331299009.db2.gz JTDJQAYAMAEXRH-LLVKDONJSA-N 0 1 292.423 3.962 20 0 CHADMN C[C@H](N[C@H]1CCC[C@@H]2C[C@@H]21)c1ncc(C(C)(C)C)o1 ZINC000459765144 331299377 /nfs/dbraw/zinc/29/93/77/331299377.db2.gz DCMJAAROTKJJFI-RNJOBUHISA-N 0 1 262.397 3.811 20 0 CHADMN Cc1nc(CN(C)[C@@H](C)Cc2cccc(F)c2)sc1C ZINC000459768413 331299672 /nfs/dbraw/zinc/29/96/72/331299672.db2.gz RCZFWVXTIOJMBT-NSHDSACASA-N 0 1 292.423 3.962 20 0 CHADMN Cc1c(C)c(C)c(CN[C@H](C)c2ccn(C)n2)c(C)c1C ZINC000459771511 331299840 /nfs/dbraw/zinc/29/98/40/331299840.db2.gz BKZCGCWRRSIYTP-MRXNPFEDSA-N 0 1 285.435 3.813 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc2ccccc21)c1ccn(C)n1 ZINC000459779476 331300540 /nfs/dbraw/zinc/30/05/40/331300540.db2.gz FZBLAURZRVCMEA-KBPBESRZSA-N 0 1 279.387 3.985 20 0 CHADMN Cc1cnc(CN2CC3(CCCCC3)[C@@H]2C(C)C)n1C ZINC000459790937 331301093 /nfs/dbraw/zinc/30/10/93/331301093.db2.gz RBMDJOXVCPBOJI-INIZCTEOSA-N 0 1 275.440 3.519 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc2ccccc2c1)c1ccn(C)n1 ZINC000459792708 331301243 /nfs/dbraw/zinc/30/12/43/331301243.db2.gz OJRPXPRRKGOXNB-KBPBESRZSA-N 0 1 279.387 3.985 20 0 CHADMN CCC[C@H](N[C@H](C)c1nc(C2CC2)no1)C1CCC1 ZINC000459803711 331301652 /nfs/dbraw/zinc/30/16/52/331301652.db2.gz OCOLFCUWMGGMMF-MFKMUULPSA-N 0 1 263.385 3.566 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCCN1Cc1ccc(Cl)cc1F ZINC000165125878 331305949 /nfs/dbraw/zinc/30/59/49/331305949.db2.gz PWVROYWDLDOTHO-RISCZKNCSA-N 0 1 285.790 3.605 20 0 CHADMN Brc1ccccc1CN[C@H]1C=CCCC1 ZINC000165893739 331306387 /nfs/dbraw/zinc/30/63/87/331306387.db2.gz JSUAMTJMNPHROI-LBPRGKRZSA-N 0 1 266.182 3.647 20 0 CHADMN Fc1ccccc1CNc1cc2c(cn1)CCCC2 ZINC000461202253 331311801 /nfs/dbraw/zinc/31/18/01/331311801.db2.gz XTSRZODFYREZIU-UHFFFAOYSA-N 0 1 256.324 3.712 20 0 CHADMN Fc1ccc(F)c(CNc2cc3c(cn2)CCCC3)c1 ZINC000461222936 331311935 /nfs/dbraw/zinc/31/19/35/331311935.db2.gz WDNKFMNXNGVVAX-UHFFFAOYSA-N 0 1 274.314 3.851 20 0 CHADMN Fc1cccc(F)c1CNc1cc2c(cn1)CCCC2 ZINC000461223375 331311954 /nfs/dbraw/zinc/31/19/54/331311954.db2.gz XEKPBXREAWQIJR-UHFFFAOYSA-N 0 1 274.314 3.851 20 0 CHADMN Cc1ccc(CN=c2nc(-c3ccccc3)[nH]s2)cc1F ZINC000461442895 331313416 /nfs/dbraw/zinc/31/34/16/331313416.db2.gz LRUMJTRGMHTDIG-UHFFFAOYSA-N 0 1 299.374 3.687 20 0 CHADMN CCN(Cc1cc(Cl)ccc1Cl)C[C@H](C)OC ZINC000462827605 331331662 /nfs/dbraw/zinc/33/16/62/331331662.db2.gz XSTTXXADMVPKAH-JTQLQIEISA-N 0 1 276.207 3.850 20 0 CHADMN Cc1cc(CN2CC(c3ccccc3F)C2)ccc1F ZINC000462824234 331331308 /nfs/dbraw/zinc/33/13/08/331331308.db2.gz CYROVHOHCJYKNY-UHFFFAOYSA-N 0 1 273.326 3.873 20 0 CHADMN CCN(Cc1nccn1Cc1ccccc1)CC(C)(C)C ZINC000462825480 331331423 /nfs/dbraw/zinc/33/14/23/331331423.db2.gz KJBJBSXMIRRVCA-UHFFFAOYSA-N 0 1 285.435 3.799 20 0 CHADMN CC(C)N(Cc1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000462862064 331333103 /nfs/dbraw/zinc/33/31/03/331333103.db2.gz MYGSTZHHTRDPCO-ZDUSSCGKSA-N 0 1 288.218 3.993 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C[C@@H](CC)C(C)C)c1 ZINC000462927618 331335282 /nfs/dbraw/zinc/33/52/82/331335282.db2.gz UUGIIAIMRGMNHG-GFCCVEGCSA-N 0 1 291.391 3.996 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C[C@H](CC)C(C)C)c1 ZINC000462927619 331335288 /nfs/dbraw/zinc/33/52/88/331335288.db2.gz UUGIIAIMRGMNHG-LBPRGKRZSA-N 0 1 291.391 3.996 20 0 CHADMN COc1ccc(F)cc1CN1CCS[C@@H]2CCCC[C@H]21 ZINC000462938283 331335420 /nfs/dbraw/zinc/33/54/20/331335420.db2.gz BLHSNVDCISWQTB-GDBMZVCRSA-N 0 1 295.423 3.694 20 0 CHADMN CC(C)C[C@@H]1CCN(Cc2cncc(C(F)(F)F)c2)C1 ZINC000463085765 331339952 /nfs/dbraw/zinc/33/99/52/331339952.db2.gz NIFJDRIVPJTABK-LBPRGKRZSA-N 0 1 286.341 3.968 20 0 CHADMN CC[C@H]1C[C@H](C)CN1Cc1cncc(C(F)(F)F)c1 ZINC000463105554 331340414 /nfs/dbraw/zinc/34/04/14/331340414.db2.gz NTOCNLOBRDMAAV-GWCFXTLKSA-N 0 1 272.314 3.721 20 0 CHADMN NC1(c2noc(/C=C/c3ccc(Cl)cc3)n2)CCCC1 ZINC000463457157 331348139 /nfs/dbraw/zinc/34/81/39/331348139.db2.gz RQOSZJNMRPAAFN-VMPITWQZSA-N 0 1 289.766 3.621 20 0 CHADMN COc1ccc(CN[C@H](C)CC(F)(F)F)c(Cl)c1 ZINC000463714675 331350731 /nfs/dbraw/zinc/35/07/31/331350731.db2.gz XOGYAEZAKANGCJ-MRVPVSSYSA-N 0 1 281.705 3.779 20 0 CHADMN CN(Cc1nnc(-c2ccccc2)s1)C[C@H]1CC=CCC1 ZINC000464501501 331361633 /nfs/dbraw/zinc/36/16/33/331361633.db2.gz WDHXKISJDLDQAP-AWEZNQCLSA-N 0 1 299.443 3.993 20 0 CHADMN CC[C@@]1(C)CCCN(CC(=O)Nc2ccc(C)c(F)c2)C1 ZINC000464769057 331366899 /nfs/dbraw/zinc/36/68/99/331366899.db2.gz BWNBZWBXBJCCIW-KRWDZBQOSA-N 0 1 292.398 3.585 20 0 CHADMN CC[C@]1(C)CCCN([C@@H](C)C(=O)Nc2ccccc2C)C1 ZINC000464772558 331367216 /nfs/dbraw/zinc/36/72/16/331367216.db2.gz HLOCEZQXFGFVLH-MAUKXSAKSA-N 0 1 288.435 3.834 20 0 CHADMN CC[C@H]1CN([C@@H](C)c2ccc(F)c(F)c2)CCS1 ZINC000464789566 331368406 /nfs/dbraw/zinc/36/84/06/331368406.db2.gz OVAVOCKLFHYDAT-JQWIXIFHSA-N 0 1 271.376 3.853 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC(C)(C)C1 ZINC000464793690 331368695 /nfs/dbraw/zinc/36/86/95/331368695.db2.gz JWQPYCBFPVHVTP-GFCCVEGCSA-N 0 1 294.826 3.707 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1C[C@@H](C)CC[C@@H]1C ZINC000464817415 331369485 /nfs/dbraw/zinc/36/94/85/331369485.db2.gz ZIFIICSHEAYKLK-RYUDHWBXSA-N 0 1 294.826 3.707 20 0 CHADMN C[C@H]1CN(CC(=O)Nc2ccccc2C(C)(C)C)C[C@@H]1C ZINC000464831890 331370088 /nfs/dbraw/zinc/37/00/88/331370088.db2.gz ODYFEFDEALANAQ-KBPBESRZSA-N 0 1 288.435 3.510 20 0 CHADMN C[C@@H]1CN(CC(=O)Nc2ccccc2C(C)(C)C)C[C@H]1C ZINC000464831892 331370223 /nfs/dbraw/zinc/37/02/23/331370223.db2.gz ODYFEFDEALANAQ-ZIAGYGMSSA-N 0 1 288.435 3.510 20 0 CHADMN c1ccc([C@H]2COCCN2CCC2CCCC2)cc1 ZINC000464841767 331370647 /nfs/dbraw/zinc/37/06/47/331370647.db2.gz XTWVXDJWZCBEIN-QGZVFWFLSA-N 0 1 259.393 3.640 20 0 CHADMN CCC[C@]1(C)CCCN(CC(=O)N(C)c2ccccc2)C1 ZINC000464840231 331370664 /nfs/dbraw/zinc/37/06/64/331370664.db2.gz SXHZODIXJJLGCK-GOSISDBHSA-N 0 1 288.435 3.552 20 0 CHADMN Cc1ccc(-c2nc(CN3C[C@H]4CCC[C@@H]4C3)cs2)o1 ZINC000464847168 331371010 /nfs/dbraw/zinc/37/10/10/331371010.db2.gz CYIGYWIMBUAWFO-CHWSQXEVSA-N 0 1 288.416 3.943 20 0 CHADMN CC(C)CCc1nc(CN2C[C@H]3CCC[C@@H]3C2)cs1 ZINC000464895010 331373085 /nfs/dbraw/zinc/37/30/85/331373085.db2.gz LVBPTFLHECFASA-ZIAGYGMSSA-N 0 1 278.465 3.964 20 0 CHADMN CC[C@H](C)CNc1ccc(Cl)c(CN(C)C)c1 ZINC000466419438 331396023 /nfs/dbraw/zinc/39/60/23/331396023.db2.gz LSVHWJPVXXIIBY-NSHDSACASA-N 0 1 254.805 3.860 20 0 CHADMN Cc1ccc(C)c(CN[C@H]2COc3ccc(F)cc32)c1 ZINC000466473672 331398103 /nfs/dbraw/zinc/39/81/03/331398103.db2.gz LVKMMXDDLIDHIX-INIZCTEOSA-N 0 1 271.335 3.666 20 0 CHADMN CCC[C@@H]1CCCN([C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000466487655 331398362 /nfs/dbraw/zinc/39/83/62/331398362.db2.gz CRMLDAAXNZDGKD-CHWSQXEVSA-N 0 1 279.428 3.940 20 0 CHADMN C[C@@H]1CCC[C@H]1CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000467448842 331419931 /nfs/dbraw/zinc/41/99/31/331419931.db2.gz YTIIHACPVRDKPQ-IVMMDQJWSA-N 0 1 287.382 3.664 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@@H]1CCc2c1c(F)ccc2F ZINC000468024896 331426845 /nfs/dbraw/zinc/42/68/45/331426845.db2.gz DBWVDGVCRKJCIY-RDDDGLTNSA-N 0 1 279.252 3.883 20 0 CHADMN COc1ccc(C[C@H](C)CNc2cc(C)ccn2)cc1F ZINC000470107179 331472031 /nfs/dbraw/zinc/47/20/31/331472031.db2.gz XQQXOHJFOZTAHJ-ZDUSSCGKSA-N 0 1 288.366 3.828 20 0 CHADMN CCc1cccc(Cl)c1CNCc1ccnc(OC)c1 ZINC000474354290 331581506 /nfs/dbraw/zinc/58/15/06/331581506.db2.gz QZBJGTUYBHTCEC-UHFFFAOYSA-N 0 1 290.794 3.596 20 0 CHADMN O=C(CCCC(F)(F)F)Nc1cc(F)cc(Cl)c1O ZINC000474432990 331586693 /nfs/dbraw/zinc/58/66/93/331586693.db2.gz SMWSQVQEHRVGQA-UHFFFAOYSA-N 0 1 299.651 3.856 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)C1CCCCC1 ZINC000474440198 331587156 /nfs/dbraw/zinc/58/71/56/331587156.db2.gz RGAHFPBPBBBUBW-UHFFFAOYSA-N 0 1 271.719 3.704 20 0 CHADMN CCc1cccc(F)c1CNCc1cccc(OC)c1 ZINC000474470524 331588321 /nfs/dbraw/zinc/58/83/21/331588321.db2.gz SAPDWJYECWQFLG-UHFFFAOYSA-N 0 1 273.351 3.687 20 0 CHADMN Cc1noc([C@@H](C)NC[C@@H](CC(C)C)c2ccccc2)n1 ZINC000475192130 331616970 /nfs/dbraw/zinc/61/69/70/331616970.db2.gz ABHXABITBPFZPT-CZUORRHYSA-N 0 1 287.407 3.859 20 0 CHADMN CC(C)C1CCN(Cc2ccn(C3CCCC3)n2)CC1 ZINC000477270487 331680337 /nfs/dbraw/zinc/68/03/37/331680337.db2.gz DEWNHJYPRTYWGF-UHFFFAOYSA-N 0 1 275.440 3.866 20 0 CHADMN CC(C)=CCCN[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000479297388 331724200 /nfs/dbraw/zinc/72/42/00/331724200.db2.gz VIAWBTSMRKQOGZ-KRWDZBQOSA-N 0 1 285.366 3.651 20 0 CHADMN CCCc1cccc(CN[C@@H](CO)c2cccc(F)c2)c1 ZINC000479375029 331725992 /nfs/dbraw/zinc/72/59/92/331725992.db2.gz FBAIODXGTBBIHQ-SFHVURJKSA-N 0 1 287.378 3.601 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)no1 ZINC000481165801 331799427 /nfs/dbraw/zinc/79/94/27/331799427.db2.gz AMHQRGMGOCWBPJ-IVMMDQJWSA-N 0 1 299.418 3.959 20 0 CHADMN CCCCc1noc([C@H](C)N[C@@H]2CC[C@H](C)C[C@H]2C)n1 ZINC000481183962 331800473 /nfs/dbraw/zinc/80/04/73/331800473.db2.gz SUKPGWDIQJXIPQ-RFQIPJPRSA-N 0 1 279.428 3.888 20 0 CHADMN Cc1cscc1CNCc1cnc([C@@H]2CCCO2)s1 ZINC000487183707 331958488 /nfs/dbraw/zinc/95/84/88/331958488.db2.gz DVAGWZJOBTYKHR-ZDUSSCGKSA-N 0 1 294.445 3.654 20 0 CHADMN CCc1cnc(CN[C@@H]2CS[C@H](C(C)(C)C)C2)s1 ZINC000488412320 332003431 /nfs/dbraw/zinc/00/34/31/332003431.db2.gz BEFDNIHAUZRBFY-JQWIXIFHSA-N 0 1 284.494 3.715 20 0 CHADMN CC(C)(C)C[C@@H]1CCCN1CC(=O)Nc1ccccc1F ZINC000488406996 332004453 /nfs/dbraw/zinc/00/44/53/332004453.db2.gz ZOCRORSDORGJHC-ZDUSSCGKSA-N 0 1 292.398 3.665 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H]2CS[C@@H](C(C)C)C2)s1 ZINC000488424165 332006623 /nfs/dbraw/zinc/00/66/23/332006623.db2.gz RNDRUIBAPMXRFI-SDDRHHMPSA-N 0 1 270.467 3.632 20 0 CHADMN COC[C@H](N[C@@H]1CS[C@@H](C(C)(C)C)C1)c1ccc(C)o1 ZINC000488440495 332008734 /nfs/dbraw/zinc/00/87/34/332008734.db2.gz JKQVACWSTJBUPJ-KCQAQPDRSA-N 0 1 297.464 3.785 20 0 CHADMN Cc1ccc2ncc(CN(C)Cc3ccc(F)cc3C)n2c1 ZINC000488552681 332016747 /nfs/dbraw/zinc/01/67/47/332016747.db2.gz CGMXZZXPSLAMEA-UHFFFAOYSA-N 0 1 297.377 3.722 20 0 CHADMN CCCCS[C@H](C)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488897361 332032527 /nfs/dbraw/zinc/03/25/27/332032527.db2.gz BRNGTCXPPAJZJZ-SECBINFHSA-N 0 1 295.383 3.562 20 0 CHADMN Cc1ccccc1CCC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488948048 332034828 /nfs/dbraw/zinc/03/48/28/332034828.db2.gz RXTDCKHYVGKKLG-UHFFFAOYSA-N 0 1 297.333 3.582 20 0 CHADMN COc1ccc(CN2CCSC(C)(C)C2)cc1Cl ZINC000489357557 332048655 /nfs/dbraw/zinc/04/86/55/332048655.db2.gz HMFVBVQXJIUCDP-UHFFFAOYSA-N 0 1 285.840 3.676 20 0 CHADMN Fc1cccc(CCCN2CCOC[C@H]2c2ccccc2)c1 ZINC000490066999 332079718 /nfs/dbraw/zinc/07/97/18/332079718.db2.gz LFWDSKLBKIJCEW-IBGZPJMESA-N 0 1 299.389 3.832 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1CC[C@H](C2CC2)C1 ZINC000491186411 332162228 /nfs/dbraw/zinc/16/22/28/332162228.db2.gz MDHCUBKMQWKASX-PWSUYJOCSA-N 0 1 289.404 3.591 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N(C)C[C@H]1CCO[C@H](C)C1 ZINC000491238201 332171895 /nfs/dbraw/zinc/17/18/95/332171895.db2.gz GNDRDZPQYKGREF-AGIUHOORSA-N 0 1 283.362 3.773 20 0 CHADMN COc1cccc([C@@H](C)N2CCc3ccc(OC)cc3C2)c1 ZINC000491433380 332210791 /nfs/dbraw/zinc/21/07/91/332210791.db2.gz PXCCWEARBNWUFW-CQSZACIVSA-N 0 1 297.398 3.823 20 0 CHADMN Fc1cc(C2CC2)ccc1CNCc1cccc2c[nH]nc21 ZINC000491593826 332242069 /nfs/dbraw/zinc/24/20/69/332242069.db2.gz JWILZQBKZREPGW-UHFFFAOYSA-N 0 1 295.361 3.869 20 0 CHADMN CCC(C)(C)c1ccc(C[N@@H+](C)C[C@H](C)C(=O)[O-])cc1 ZINC000575412632 335102034 /nfs/dbraw/zinc/10/20/34/335102034.db2.gz HOXXHSLGSVOUNV-ZDUSSCGKSA-N 0 1 277.408 3.527 20 0 CHADMN Cc1ccc(F)cc1CN(C)Cc1cccc(F)c1 ZINC000491839000 332371532 /nfs/dbraw/zinc/37/15/32/332371532.db2.gz WVLZLDHYCXZYAP-UHFFFAOYSA-N 0 1 261.315 3.905 20 0 CHADMN CCc1ccc(CNC(C)(C)c2ccccc2F)cn1 ZINC000492104949 332383060 /nfs/dbraw/zinc/38/30/60/332383060.db2.gz LZWYWNNJRIQOOP-UHFFFAOYSA-N 0 1 272.367 3.808 20 0 CHADMN CC[N@@H+](CCCCCOC)Cc1ccccc1Cl ZINC000492220983 332387815 /nfs/dbraw/zinc/38/78/15/332387815.db2.gz ZTFTWJBIFHHEDX-UHFFFAOYSA-N 0 1 269.816 3.979 20 0 CHADMN CCC(CC)(CNCc1ncc(C(C)C)s1)OC ZINC000492228624 332388146 /nfs/dbraw/zinc/38/81/46/332388146.db2.gz XOSRDYDLNJXSOX-UHFFFAOYSA-N 0 1 270.442 3.561 20 0 CHADMN CCOC[C@H](C)NCc1cc(Cl)cc(Cl)c1OC ZINC000494221256 332467168 /nfs/dbraw/zinc/46/71/68/332467168.db2.gz WLRZHFCUDOGLKS-VIFPVBQESA-N 0 1 292.206 3.517 20 0 CHADMN C[C@@H]1C[C@@H](Nc2ccc(Cl)c(CN(C)C)c2)[C@H]1C ZINC000494979444 332496727 /nfs/dbraw/zinc/49/67/27/332496727.db2.gz XWIKUIICDMKKMY-JRPNMDOOSA-N 0 1 266.816 3.858 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H](CO)c2c(Cl)cccc2Cl)[C@@H]1C ZINC000494993228 332498817 /nfs/dbraw/zinc/49/88/17/332498817.db2.gz GHFXSMGIUHIEPO-PNZRWIHMSA-N 0 1 288.218 3.661 20 0 CHADMN Clc1cnccc1CN[C@H]1CCCc2sccc21 ZINC000088781406 334341744 /nfs/dbraw/zinc/34/17/44/334341744.db2.gz CCJYNLZPRMABSL-ZDUSSCGKSA-N 0 1 278.808 3.964 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)N(C)CC[C@H](C)O ZINC000246706582 334267497 /nfs/dbraw/zinc/26/74/97/334267497.db2.gz NETRALXBNPNIMM-VHSXEESVSA-N 0 1 276.207 3.757 20 0 CHADMN CC[C@@H](CC(C)C)c1nc(C2(N)CCCCC2)no1 ZINC000308045132 332589249 /nfs/dbraw/zinc/58/92/49/332589249.db2.gz FQTKMQYXQXZOQO-LBPRGKRZSA-N 0 1 265.401 3.727 20 0 CHADMN Clc1cccc(-c2noc(CN3CCCCCC3)n2)c1 ZINC000499709424 332591884 /nfs/dbraw/zinc/59/18/84/332591884.db2.gz AZIXBMRXDAJUCS-UHFFFAOYSA-N 0 1 291.782 3.766 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](C)[C@@H]1C ZINC000248326969 334298228 /nfs/dbraw/zinc/29/82/28/334298228.db2.gz CDOZVFOESPZCQM-GRYCIOLGSA-N 0 1 250.386 3.763 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](C)[C@H]1C ZINC000248326970 334298233 /nfs/dbraw/zinc/29/82/33/334298233.db2.gz CDOZVFOESPZCQM-IJLUTSLNSA-N 0 1 250.386 3.763 20 0 CHADMN CCn1cc(CN[C@]2(c3ccc(Cl)cc3)C[C@H]2C)cn1 ZINC000500424570 332608279 /nfs/dbraw/zinc/60/82/79/332608279.db2.gz LITVREMWLNPSLG-MLGOLLRUSA-N 0 1 289.810 3.581 20 0 CHADMN C[C@@H](NC/C=C/c1ccccc1)c1nc2c(s1)CCC2 ZINC000502044182 332646469 /nfs/dbraw/zinc/64/64/69/332646469.db2.gz RCWKNBAUEGDFJO-YSKGHYERSA-N 0 1 284.428 3.996 20 0 CHADMN COc1ccnc(CN[C@@H](c2ccc(F)cc2)C(C)C)c1 ZINC000502581370 332666230 /nfs/dbraw/zinc/66/62/30/332666230.db2.gz XYUXFRAGCSKBOK-QGZVFWFLSA-N 0 1 288.366 3.716 20 0 CHADMN CCCCO[C@@H]1C[C@@H](N[C@@H](C)c2cc(C)on2)C1(C)C ZINC000503882830 332697526 /nfs/dbraw/zinc/69/75/26/332697526.db2.gz BBRCNHYEHQRPES-NWANDNLSSA-N 0 1 280.412 3.617 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000305816697 333000179 /nfs/dbraw/zinc/00/01/79/333000179.db2.gz OQOOFFDOWQCAGL-RDBSUJKOSA-N 0 1 294.439 3.516 20 0 CHADMN C[C@H](O)[C@H]1CCN([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000305875686 333001783 /nfs/dbraw/zinc/00/17/83/333001783.db2.gz QJTLPJDRJSLZKU-NHCYSSNCSA-N 0 1 288.218 3.757 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1cccc(C)c1C ZINC000513076926 333002935 /nfs/dbraw/zinc/00/29/35/333002935.db2.gz QZGOVBRGFOSEIS-UHFFFAOYSA-N 0 1 272.392 3.933 20 0 CHADMN CC[C@@H]1CN(Cc2ncc(C)o2)CC[C@@H]1c1ccccc1 ZINC000174887496 333009975 /nfs/dbraw/zinc/00/99/75/333009975.db2.gz BNAJJEZDNRRZFB-WBVHZDCISA-N 0 1 284.403 3.999 20 0 CHADMN C[C@H]1CCCCN1Cc1ncc(-c2cccc(F)c2)o1 ZINC000175063203 333013992 /nfs/dbraw/zinc/01/39/92/333013992.db2.gz IUGFMAMXTZPYPT-LBPRGKRZSA-N 0 1 274.339 3.855 20 0 CHADMN CO[C@@H](C)CN(C)Cc1cc(Cl)ccc1OCC1CC1 ZINC000513334165 333014681 /nfs/dbraw/zinc/01/46/81/333014681.db2.gz UXLAVWNCPZOWBI-LBPRGKRZSA-N 0 1 297.826 3.596 20 0 CHADMN CC1=C(C)CN(Cc2conc2Cc2ccccc2)CC1 ZINC000513411262 333017933 /nfs/dbraw/zinc/01/79/33/333017933.db2.gz LHRZMARFLXFPLP-UHFFFAOYSA-N 0 1 282.387 3.808 20 0 CHADMN Oc1ccc(F)c(CN[C@H]2C[C@H](c3ccccc3)C2)c1F ZINC000513441951 333019522 /nfs/dbraw/zinc/01/95/22/333019522.db2.gz CMEZZOCWKBDRSX-JOCQHMNTSA-N 0 1 289.325 3.706 20 0 CHADMN CO[C@@H]1C[C@@H](N[C@@H](C)c2c(F)cccc2F)C12CCC2 ZINC000308349665 333027952 /nfs/dbraw/zinc/02/79/52/333027952.db2.gz CBJXJYIKIXQTFI-ZLKJLUDKSA-N 0 1 281.346 3.573 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)C3(C)CC3)n[nH]2)cc1 ZINC000175797668 333033216 /nfs/dbraw/zinc/03/32/16/333033216.db2.gz BSOIPCLMNPLNQG-CYBMUJFWSA-N 0 1 297.402 3.646 20 0 CHADMN CCCC[C@H](CC)CC(=O)Nc1cc(CN(C)C)ccn1 ZINC000176934381 333050681 /nfs/dbraw/zinc/05/06/81/333050681.db2.gz TULPWADWBGTTHB-AWEZNQCLSA-N 0 1 291.439 3.688 20 0 CHADMN Fc1cccc([C@H]2CCCN2Cc2cnc3ccccn23)c1 ZINC000177268255 333056458 /nfs/dbraw/zinc/05/64/58/333056458.db2.gz COCVRWDRTHAPPY-QGZVFWFLSA-N 0 1 295.361 3.811 20 0 CHADMN CC[N@@H+](CCOc1ccccc1C)CCC(F)(F)F ZINC000514004420 333059145 /nfs/dbraw/zinc/05/91/45/333059145.db2.gz JXFPLGQVLXBRCV-UHFFFAOYSA-N 0 1 275.314 3.648 20 0 CHADMN CCN(CCOc1ccccc1C)CCC(F)(F)F ZINC000514004420 333059147 /nfs/dbraw/zinc/05/91/47/333059147.db2.gz JXFPLGQVLXBRCV-UHFFFAOYSA-N 0 1 275.314 3.648 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)N3CC[C@H](C)C3)n2)cc1F ZINC000514006559 333059397 /nfs/dbraw/zinc/05/93/97/333059397.db2.gz MKESSBMRAPLFLV-JQWIXIFHSA-N 0 1 289.354 3.587 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N(C)CC1CCC1 ZINC000177680435 333061516 /nfs/dbraw/zinc/06/15/16/333061516.db2.gz XMTVQHIQANEZLK-NSHDSACASA-N 0 1 250.386 3.765 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1cc(F)cc(F)c1)CC2 ZINC000177719239 333062144 /nfs/dbraw/zinc/06/21/44/333062144.db2.gz QKBOGEZYIAZKOE-KRWDZBQOSA-N 0 1 289.325 3.751 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1cc(F)cc(F)c1)CC2 ZINC000177719226 333062227 /nfs/dbraw/zinc/06/22/27/333062227.db2.gz QKBOGEZYIAZKOE-QGZVFWFLSA-N 0 1 289.325 3.751 20 0 CHADMN CC[C@@H](C)C[N@@H+](CC)Cc1cc(F)cc2c1OCOC2 ZINC000177848980 333064003 /nfs/dbraw/zinc/06/40/03/333064003.db2.gz YVBWFGTVXOETMO-GFCCVEGCSA-N 0 1 281.371 3.560 20 0 CHADMN CC[C@H](C)C[N@@H+](CC)Cc1cc(-c2ccco2)on1 ZINC000177860383 333064230 /nfs/dbraw/zinc/06/42/30/333064230.db2.gz TXYGFWXTVSGOFS-LBPRGKRZSA-N 0 1 262.353 3.803 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)[C@@H]1C ZINC000177904160 333065655 /nfs/dbraw/zinc/06/56/55/333065655.db2.gz XKUWIGGZIFHSSS-VXGBXAGGSA-N 0 1 274.339 3.711 20 0 CHADMN COc1ccc(CN[C@H]2CCc3c2cccc3C)c(F)c1 ZINC000516671240 333080320 /nfs/dbraw/zinc/08/03/20/333080320.db2.gz QBSNVFTTWLSHTH-SFHVURJKSA-N 0 1 285.362 3.920 20 0 CHADMN COc1cccc(CCCN2CCn3cccc3[C@H]2C)c1 ZINC000172737692 335120218 /nfs/dbraw/zinc/12/02/18/335120218.db2.gz BQKVZTLXWGXPSN-OAHLLOKOSA-N 0 1 284.403 3.506 20 0 CHADMN CC(C)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000516977620 333088617 /nfs/dbraw/zinc/08/86/17/333088617.db2.gz BSQRVHMQYCJMRZ-CYBMUJFWSA-N 0 1 275.289 3.984 20 0 CHADMN CC[N@@H+](C[C@@H](C)OC)[C@@H](C)c1ccccc1Cl ZINC000517052369 333091193 /nfs/dbraw/zinc/09/11/93/333091193.db2.gz WPESOPIZTGAQLJ-NEPJUHHUSA-N 0 1 255.789 3.758 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CC[C@H]1CCC[C@H](C)C1 ZINC000517161704 333093485 /nfs/dbraw/zinc/09/34/85/333093485.db2.gz YXAUUZDPPDTFAL-RRFJBIMHSA-N 0 1 269.429 3.634 20 0 CHADMN COc1cc([C@H](C)NC2(c3ccc(F)cc3)CC2)ccn1 ZINC000517390657 333098583 /nfs/dbraw/zinc/09/85/83/333098583.db2.gz HXQPDFZZHKPEBT-LBPRGKRZSA-N 0 1 286.350 3.569 20 0 CHADMN c1cc2c(ccnc2N2CCN([C@H]3C=CCCC3)CC2)s1 ZINC000517429061 333099192 /nfs/dbraw/zinc/09/91/92/333099192.db2.gz MFFXQZMLEHNNRT-AWEZNQCLSA-N 0 1 299.443 3.527 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2cccc3ccoc32)n[nH]1 ZINC000517680231 333105749 /nfs/dbraw/zinc/10/57/49/333105749.db2.gz WLDHHJLJDGTDAZ-RYUDHWBXSA-N 0 1 298.390 3.915 20 0 CHADMN C[C@H](c1ccc(Cl)c(Cl)c1)N1CCN(C2CC2)CC1 ZINC000520851450 333106826 /nfs/dbraw/zinc/10/68/26/333106826.db2.gz WLAQNYPGEXGUEU-LLVKDONJSA-N 0 1 299.245 3.834 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)Cc1ccc2c(n1)CCC2 ZINC000520988450 333109398 /nfs/dbraw/zinc/10/93/98/333109398.db2.gz ZORMBJXXVNNLJM-CYBMUJFWSA-N 0 1 284.378 3.902 20 0 CHADMN Cc1c(CNC(c2ccccc2)c2ccccc2)cnn1C ZINC000336853386 335121467 /nfs/dbraw/zinc/12/14/67/335121467.db2.gz GOOPQFMNRCFCRA-UHFFFAOYSA-N 0 1 291.398 3.608 20 0 CHADMN CC[C@H](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1O ZINC000183771966 333122652 /nfs/dbraw/zinc/12/26/52/333122652.db2.gz XQXHWPVZPJWALI-DTWKUNHWSA-N 0 1 255.745 3.666 20 0 CHADMN CC/C=C/CCN(CC)CC(=O)Nc1c(C)cccc1C ZINC000184667112 333131369 /nfs/dbraw/zinc/13/13/69/333131369.db2.gz INTRJVPQWVJCJF-BQYQJAHWSA-N 0 1 288.435 3.920 20 0 CHADMN CC[C@H]1[C@@H](C)CCN1Cc1nnc(-c2ccccc2)s1 ZINC000185645330 333145863 /nfs/dbraw/zinc/14/58/63/333145863.db2.gz CXGIOBDTKNWQSC-JSGCOSHPSA-N 0 1 287.432 3.826 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1ccc(OC)cc1 ZINC000186074549 333154463 /nfs/dbraw/zinc/15/44/63/333154463.db2.gz OEOUQEVKVVYNRA-LLVKDONJSA-N 0 1 277.389 3.616 20 0 CHADMN C[C@@H](CCC1CC1)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000186388212 333159906 /nfs/dbraw/zinc/15/99/06/333159906.db2.gz NHIGXURPQQYOAS-STQMWFEESA-N 0 1 285.391 3.966 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)CCC1CC1)c1nc(C2CC2)no1 ZINC000186406281 333160135 /nfs/dbraw/zinc/16/01/35/333160135.db2.gz DZSWVYZMLLQYLN-SMDDNHRTSA-N 0 1 277.412 3.812 20 0 CHADMN CCC(CC)(CO)CN[C@@H](C)c1csc(C(C)C)n1 ZINC000186431815 333160655 /nfs/dbraw/zinc/16/06/55/333160655.db2.gz YOAYENZDGNCYGT-LBPRGKRZSA-N 0 1 284.469 3.716 20 0 CHADMN CC[C@@H](CN(CC)Cc1cc(C)on1)c1ccccc1 ZINC000186598904 333163481 /nfs/dbraw/zinc/16/34/81/333163481.db2.gz LOYBESAVFVPOQU-HNNXBMFYSA-N 0 1 272.392 3.999 20 0 CHADMN CC[C@@H](CN(CC)Cc1nc(C2CC2)no1)c1ccccc1 ZINC000186626824 333163807 /nfs/dbraw/zinc/16/38/07/333163807.db2.gz TZWYVDPEWZJYSI-AWEZNQCLSA-N 0 1 299.418 3.963 20 0 CHADMN Cc1ccncc1CNCc1cccc(OC(F)(F)F)c1 ZINC000220735152 333168915 /nfs/dbraw/zinc/16/89/15/333168915.db2.gz TYFMBQOHIHTRKX-UHFFFAOYSA-N 0 1 296.292 3.578 20 0 CHADMN Cc1ccc2c(c1)nc(CNCc1cc(C)ccc1C)n2C ZINC000187589949 333172943 /nfs/dbraw/zinc/17/29/43/333172943.db2.gz VHTRWSBDKZPKLS-UHFFFAOYSA-N 0 1 293.414 3.788 20 0 CHADMN CC(C)=CC[N@@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000521674362 333183569 /nfs/dbraw/zinc/18/35/69/333183569.db2.gz DVXLMSOMGRNUDS-MRXNPFEDSA-N 0 1 295.430 3.712 20 0 CHADMN O=C([O-])CCC[N@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000521762137 333187186 /nfs/dbraw/zinc/18/71/86/333187186.db2.gz YETMIIACGWMTTO-QOHRORDFSA-N 0 1 287.403 3.809 20 0 CHADMN CCC[N@H+](CC(=O)Nc1cccc(Cl)c1)CC(C)C ZINC000521819914 333189945 /nfs/dbraw/zinc/18/99/45/333189945.db2.gz NDPHFZHPSXAPPQ-UHFFFAOYSA-N 0 1 282.815 3.647 20 0 CHADMN Cc1nc(C(C)(C)C)sc1[C@@H](C)N[C@H](C)c1cn[nH]c1 ZINC000222509265 333195343 /nfs/dbraw/zinc/19/53/43/333195343.db2.gz ZXFIALIBYHDKMJ-NXEZZACHSA-N 0 1 292.452 3.884 20 0 CHADMN Cc1noc(C)c1CNCc1ccc(C(F)(F)F)cc1C ZINC000190851510 333211667 /nfs/dbraw/zinc/21/16/67/333211667.db2.gz GRGPHDWPLMBDSC-UHFFFAOYSA-N 0 1 298.308 3.908 20 0 CHADMN Cc1c([C@@H](C)NCc2cncc(C)c2)cnn1C(C)(C)C ZINC000191398316 333219398 /nfs/dbraw/zinc/21/93/98/333219398.db2.gz VAMQJEDBUWJKLO-CYBMUJFWSA-N 0 1 286.423 3.501 20 0 CHADMN CCC[C@H](C)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000191582258 333221910 /nfs/dbraw/zinc/22/19/10/333221910.db2.gz RIRGTUHKGBHWJV-NWDGAFQWSA-N 0 1 265.401 3.957 20 0 CHADMN CCCC[C@H]1CCC[C@H]1NCc1nc(C(C)C)no1 ZINC000191827401 333226165 /nfs/dbraw/zinc/22/61/65/333226165.db2.gz FDJPQUAIBDDYQS-QWHCGFSZSA-N 0 1 265.401 3.642 20 0 CHADMN C[C@@H](NCCOC1CCCCC1)c1cccc(F)c1F ZINC000224981454 333228313 /nfs/dbraw/zinc/22/83/13/333228313.db2.gz NNXUDKDGVKYCBZ-GFCCVEGCSA-N 0 1 283.362 3.965 20 0 CHADMN Cc1ccc(C[C@@H](C)[N@@H+](C)CCCCCC(=O)[O-])cc1 ZINC000522009128 333229994 /nfs/dbraw/zinc/22/99/94/333229994.db2.gz YVEBNFYZJBTHSZ-OAHLLOKOSA-N 0 1 277.408 3.503 20 0 CHADMN CC(C)(C)c1noc(CN2CCC[C@H]2Cc2ccccc2)n1 ZINC000192670549 333237635 /nfs/dbraw/zinc/23/76/35/333237635.db2.gz WDVLPIDRLWPUCR-HNNXBMFYSA-N 0 1 299.418 3.574 20 0 CHADMN CC[C@H]1CCCN1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000522083871 333239310 /nfs/dbraw/zinc/23/93/10/333239310.db2.gz YQBICJNNAAFTJD-ZDUSSCGKSA-N 0 1 291.782 3.764 20 0 CHADMN CC(=O)Nc1ccc(CNCc2sccc2Cl)cc1 ZINC000192990262 333241184 /nfs/dbraw/zinc/24/11/84/333241184.db2.gz PJYJKCVOPJAODB-UHFFFAOYSA-N 0 1 294.807 3.650 20 0 CHADMN C[C@H](N[C@H]1COCc2ccccc21)c1ccc(F)cc1 ZINC000225978626 333244089 /nfs/dbraw/zinc/24/40/89/333244089.db2.gz LIXPBVLZPDLLOZ-SJCJKPOMSA-N 0 1 271.335 3.748 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2N[C@@H]1COCc2ccccc21 ZINC000225981720 333244106 /nfs/dbraw/zinc/24/41/06/333244106.db2.gz NAHYLKCTINYDMH-JKSUJKDBSA-N 0 1 269.344 3.518 20 0 CHADMN COc1ccc(F)cc1CNCc1cc(Cl)cs1 ZINC000193230062 333245827 /nfs/dbraw/zinc/24/58/27/333245827.db2.gz HRKMATDSAQJACN-UHFFFAOYSA-N 0 1 285.771 3.839 20 0 CHADMN CC[C@H](NCc1cnn2ccccc12)c1ccccc1OC ZINC000337728873 335129379 /nfs/dbraw/zinc/12/93/79/335129379.db2.gz VNNJVOBIUBJLLZ-INIZCTEOSA-N 0 1 295.386 3.584 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cccnc2OC)cc1 ZINC000193519995 333252236 /nfs/dbraw/zinc/25/22/36/333252236.db2.gz SVTGQGOCMPBRMD-UHFFFAOYSA-N 0 1 284.403 3.678 20 0 CHADMN C[C@H](Sc1nc(C2CC2)n[nH]1)c1cccc(F)c1 ZINC000194197093 333267491 /nfs/dbraw/zinc/26/74/91/333267491.db2.gz BJAMORULNKQPSS-QMMMGPOBSA-N 0 1 263.341 3.675 20 0 CHADMN C[C@H](Sc1n[nH]c(C2CC2)n1)c1cccc(F)c1 ZINC000194197093 333267493 /nfs/dbraw/zinc/26/74/93/333267493.db2.gz BJAMORULNKQPSS-QMMMGPOBSA-N 0 1 263.341 3.675 20 0 CHADMN CCCn1cc(CN[C@H](C)c2ccc(SC)cc2)cn1 ZINC000227282962 333279631 /nfs/dbraw/zinc/27/96/31/333279631.db2.gz MGQMSBPLOAHMEW-CYBMUJFWSA-N 0 1 289.448 3.866 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227818319 333288755 /nfs/dbraw/zinc/28/87/55/333288755.db2.gz CROOVQRJNPOIRK-IIYDPXPESA-N 0 1 283.371 3.553 20 0 CHADMN C[C@@H](c1cccc2ccccc21)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227818107 333288759 /nfs/dbraw/zinc/28/87/59/333288759.db2.gz ULWRBGAWANHBTH-IIYDPXPESA-N 0 1 283.371 3.553 20 0 CHADMN O=C(Nc1cccc(C(F)(F)F)c1)c1c(O)cccc1F ZINC000228833386 333297691 /nfs/dbraw/zinc/29/76/91/333297691.db2.gz LTQWAOIJINLJDF-UHFFFAOYSA-N 0 1 299.223 3.802 20 0 CHADMN O=C(Nc1ccc(F)c(Cl)c1)c1c(O)cccc1F ZINC000228834790 333297729 /nfs/dbraw/zinc/29/77/29/333297729.db2.gz CGQTZCYHEIULRX-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN CC(C)CN(C(=O)c1c(O)cccc1F)C1CCCC1 ZINC000228860433 333298094 /nfs/dbraw/zinc/29/80/94/333298094.db2.gz FCGHLGMMBDNOER-UHFFFAOYSA-N 0 1 279.355 3.572 20 0 CHADMN CCc1ccc(CNCc2cn3cccc(C)c3n2)s1 ZINC000522949086 333301006 /nfs/dbraw/zinc/30/10/06/333301006.db2.gz UDSTYWIVWXATSR-UHFFFAOYSA-N 0 1 285.416 3.556 20 0 CHADMN CC(C)CCOc1ccc(CN[C@@H](C)c2cn[nH]c2)cc1 ZINC000229884081 333310816 /nfs/dbraw/zinc/31/08/16/333310816.db2.gz YIIYTRFKULXQCO-AWEZNQCLSA-N 0 1 287.407 3.685 20 0 CHADMN C[C@H](N[C@H]1CCCc2c1cnn2C)c1csc(Cl)c1 ZINC000230407961 333317746 /nfs/dbraw/zinc/31/77/46/333317746.db2.gz AGJMJUTYZXMSCE-CABZTGNLSA-N 0 1 295.839 3.863 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N(C)CC(=O)Nc2ccccc2)c1 ZINC000523439008 333326688 /nfs/dbraw/zinc/32/66/88/333326688.db2.gz CCUZLBBOBDCJIY-MRXNPFEDSA-N 0 1 296.414 3.935 20 0 CHADMN CC[C@H](C)CN(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000523607511 333334011 /nfs/dbraw/zinc/33/40/11/333334011.db2.gz FMSNQRRMKFCRFX-NSHDSACASA-N 0 1 293.798 3.868 20 0 CHADMN COCC1(N[C@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000575942905 335134388 /nfs/dbraw/zinc/13/43/88/335134388.db2.gz JJSMHAIMDQIVSU-SECBINFHSA-N 0 1 274.191 3.823 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000393367121 333337007 /nfs/dbraw/zinc/33/70/07/333337007.db2.gz GQHUPFGLWMLKRY-GFCCVEGCSA-N 0 1 253.773 3.666 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]1Cc1cccc([O-])c1Cl ZINC000393367121 333337008 /nfs/dbraw/zinc/33/70/08/333337008.db2.gz GQHUPFGLWMLKRY-GFCCVEGCSA-N 0 1 253.773 3.666 20 0 CHADMN CC(C)=CCNCc1ccccc1Br ZINC000232617573 333339547 /nfs/dbraw/zinc/33/95/47/333339547.db2.gz FDNBMWSJFQUZKT-UHFFFAOYSA-N 0 1 254.171 3.505 20 0 CHADMN Cc1cc(CN2CCC(c3ccccc3F)CC2)on1 ZINC000524080115 333353085 /nfs/dbraw/zinc/35/30/85/333353085.db2.gz BEMAMMXTMZJGDX-UHFFFAOYSA-N 0 1 274.339 3.502 20 0 CHADMN CC(C)C[C@H]1COCCN1Cc1cccc(OC(F)F)c1 ZINC000524354091 333360634 /nfs/dbraw/zinc/36/06/34/333360634.db2.gz KCFUQMGNRCDVAO-AWEZNQCLSA-N 0 1 299.361 3.535 20 0 CHADMN CCc1ccc(-c2noc(CN(CC)C3CCC3)n2)cc1 ZINC000524595119 333368033 /nfs/dbraw/zinc/36/80/33/333368033.db2.gz CPHNTVGYCWIXHG-UHFFFAOYSA-N 0 1 285.391 3.673 20 0 CHADMN CCc1ccc(-c2noc(CN3CCC(CC)CC3)n2)cc1 ZINC000524627178 333369396 /nfs/dbraw/zinc/36/93/96/333369396.db2.gz BVYBDYZPQRCYDL-UHFFFAOYSA-N 0 1 299.418 3.921 20 0 CHADMN COc1ccc(C2(NCc3ccc(C)c(F)c3)CC2)cc1 ZINC000524686889 333371436 /nfs/dbraw/zinc/37/14/36/333371436.db2.gz OXYXVRXHWCGLSK-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN COC(=O)c1cc(CN[C@@H]2CCCc3ccccc32)oc1C ZINC000237082232 333377728 /nfs/dbraw/zinc/37/77/28/333377728.db2.gz GXDBCXCHMNPTOC-QGZVFWFLSA-N 0 1 299.370 3.542 20 0 CHADMN Cn1cc(CNC(C)(C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000237779384 333381427 /nfs/dbraw/zinc/38/14/27/333381427.db2.gz PJYAZRXUYLRJCX-UHFFFAOYSA-N 0 1 298.217 3.752 20 0 CHADMN C[C@H]1CCCCCN1Cc1cc(C(C)(C)C)on1 ZINC000572529208 333383435 /nfs/dbraw/zinc/38/34/35/333383435.db2.gz PGFZUXPOGLKOJE-LBPRGKRZSA-N 0 1 250.386 3.737 20 0 CHADMN COc1cccc([C@@H](C)[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000315984402 333384864 /nfs/dbraw/zinc/38/48/64/333384864.db2.gz VTRXOGSBQXNANE-CYBMUJFWSA-N 0 1 299.370 3.586 20 0 CHADMN CCCN(Cc1ncc(CC)o1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000524758788 333387345 /nfs/dbraw/zinc/38/73/45/333387345.db2.gz XRSXBNHAWZUDNA-CABCVRRESA-N 0 1 294.439 3.653 20 0 CHADMN Cc1ccccc1CN(CCC(F)(F)F)C1CC1 ZINC000524907290 333393245 /nfs/dbraw/zinc/39/32/45/333393245.db2.gz QNQQAZKCOYVMAG-UHFFFAOYSA-N 0 1 257.299 3.912 20 0 CHADMN CC(C)c1cccc(NC(=O)CN2CCC[C@H](C)[C@H]2C)c1 ZINC000525122186 333399746 /nfs/dbraw/zinc/39/97/46/333399746.db2.gz ZFLCZSOYJSDZRD-LSDHHAIUSA-N 0 1 288.435 3.869 20 0 CHADMN Cc1nnc(CNC2CCC3(CCCCC3)CC2)s1 ZINC000525969778 333413222 /nfs/dbraw/zinc/41/32/22/333413222.db2.gz AXRYUZZCYQRJIO-UHFFFAOYSA-N 0 1 279.453 3.829 20 0 CHADMN CC[C@H](C)Oc1cc(C)ccc1CNCC1(F)CC1 ZINC000525988580 333417466 /nfs/dbraw/zinc/41/74/66/333417466.db2.gz XHYYYKMWXPPPNP-ZDUSSCGKSA-N 0 1 265.372 3.764 20 0 CHADMN CC(C)=CCC[NH2+]Cc1cccc([O-])c1Br ZINC000397726209 333427921 /nfs/dbraw/zinc/42/79/21/333427921.db2.gz NGNCMXDLKSGHJL-UHFFFAOYSA-N 0 1 284.197 3.601 20 0 CHADMN Cc1ncc(CNCc2ccc(C(C)(C)C)s2)o1 ZINC000398044103 333431644 /nfs/dbraw/zinc/43/16/44/333431644.db2.gz ASPJUXWZBVCWBX-UHFFFAOYSA-N 0 1 264.394 3.632 20 0 CHADMN CC(C)O[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000576035308 335144029 /nfs/dbraw/zinc/14/40/29/335144029.db2.gz ILQJKMUSGNFWOG-CQSZACIVSA-N 0 1 287.325 3.705 20 0 CHADMN Cc1cccc2c1N(C(=O)c1ccc(Cl)cc1O)CC2 ZINC000125422894 333566567 /nfs/dbraw/zinc/56/65/67/333566567.db2.gz QBFUNHWESGSWLW-UHFFFAOYSA-N 0 1 287.746 3.557 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccoc2)cc1OC(F)F ZINC000125633815 333568663 /nfs/dbraw/zinc/56/86/63/333568663.db2.gz VURXOIHKAIMVPX-JTQLQIEISA-N 0 1 297.301 3.740 20 0 CHADMN CC[C@@H](NCc1ncc(C(C)(C)C)o1)C(C)(C)C ZINC000538390840 333587915 /nfs/dbraw/zinc/58/79/15/333587915.db2.gz XPBJHISODWNMQJ-LLVKDONJSA-N 0 1 252.402 3.886 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN2CCC(C(F)F)CC2)o1 ZINC000538735485 333620547 /nfs/dbraw/zinc/62/05/47/333620547.db2.gz BJOQXAKKJVLTFS-ZWNOBZJWSA-N 0 1 269.335 3.880 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CCN([C@H]2C=CCCC2)CC1 ZINC000538784293 333629524 /nfs/dbraw/zinc/62/95/24/333629524.db2.gz KOFYXSXRQVCEJN-QAPCUYQASA-N 0 1 288.410 3.613 20 0 CHADMN COCc1ccc(CN[C@H]2CCc3c2cccc3C)o1 ZINC000127507763 333630327 /nfs/dbraw/zinc/63/03/27/333630327.db2.gz RGGIVBDXLUVLFV-KRWDZBQOSA-N 0 1 271.360 3.512 20 0 CHADMN c1c[nH]c([C@@H](NCC2(C3CC3)CCC2)c2ccccc2)n1 ZINC000128169599 333643971 /nfs/dbraw/zinc/64/39/71/333643971.db2.gz GRHOKEITAYLUMM-INIZCTEOSA-N 0 1 281.403 3.669 20 0 CHADMN C[C@@H](N[C@@H](C)c1cscn1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000540221316 333721963 /nfs/dbraw/zinc/72/19/63/333721963.db2.gz UXNKZCZYNPQILO-PVTKRXDGSA-N 0 1 288.416 3.747 20 0 CHADMN FCCN[C@@H](COc1ccccc1F)c1ccccc1 ZINC000540368869 333727454 /nfs/dbraw/zinc/72/74/54/333727454.db2.gz HOSDYPHUOTUPBK-HNNXBMFYSA-N 0 1 277.314 3.505 20 0 CHADMN COC[C@H](N[C@H](C)c1ncc(-c2ccccc2)o1)C(C)C ZINC000542527103 333831012 /nfs/dbraw/zinc/83/10/12/333831012.db2.gz ZHIFRQWVNMKPRJ-HIFRSBDPSA-N 0 1 288.391 3.663 20 0 CHADMN Cc1cnn(-c2ccncc2N[C@H](C)Cc2ccsc2)c1 ZINC000543072315 333855382 /nfs/dbraw/zinc/85/53/82/333855382.db2.gz KKWRJYSJRTWXOI-CYBMUJFWSA-N 0 1 298.415 3.680 20 0 CHADMN Cc1ccccc1CCC[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000576166158 335163492 /nfs/dbraw/zinc/16/34/92/335163492.db2.gz HCXKRPABWXGMQJ-UHFFFAOYSA-N 0 1 297.398 3.514 20 0 CHADMN C[C@@H](NCCCc1ccc(Cl)cc1)c1ccon1 ZINC000544547680 333935298 /nfs/dbraw/zinc/93/52/98/333935298.db2.gz VYKJPBFGZFRDIJ-LLVKDONJSA-N 0 1 264.756 3.611 20 0 CHADMN CCOC(=O)C1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000072562903 333943440 /nfs/dbraw/zinc/94/34/40/333943440.db2.gz WFQXTYUWCPYFQW-GFCCVEGCSA-N 0 1 295.810 3.676 20 0 CHADMN CN(C(=O)c1c(O)cccc1F)c1ccc(F)c(Cl)c1 ZINC000131485024 333943526 /nfs/dbraw/zinc/94/35/26/333943526.db2.gz WBNHCTGKNMYTOS-UHFFFAOYSA-N 0 1 297.688 3.600 20 0 CHADMN Fc1cccc(F)c1-c1nc(CN2CCCCCC2)co1 ZINC000131506518 333944820 /nfs/dbraw/zinc/94/48/20/333944820.db2.gz RSUVFDHZOAECIV-UHFFFAOYSA-N 0 1 292.329 3.996 20 0 CHADMN Cc1cc([C@@H](C)NCCc2ccc(OC(C)C)cc2)no1 ZINC000576216438 335171494 /nfs/dbraw/zinc/17/14/94/335171494.db2.gz KRJPGODXOXVVJL-CQSZACIVSA-N 0 1 288.391 3.664 20 0 CHADMN CCCC[C@@H]1CCC[C@H]1NCc1nc(C(C)(C)C)no1 ZINC000545884879 334003974 /nfs/dbraw/zinc/00/39/74/334003974.db2.gz SJMCKQQSKVQTRR-CHWSQXEVSA-N 0 1 279.428 3.816 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H](CO)C2CCCCC2)cs1 ZINC000545985425 334010676 /nfs/dbraw/zinc/01/06/76/334010676.db2.gz TZJZBLSKFOYXBF-JSGCOSHPSA-N 0 1 296.480 3.858 20 0 CHADMN CC(C)N(Cc1ccccc1)C(=O)c1cccc2[nH]cnc21 ZINC000074732421 334012770 /nfs/dbraw/zinc/01/27/70/334012770.db2.gz UPEQJNWTNKPSSK-UHFFFAOYSA-N 0 1 293.370 3.614 20 0 CHADMN CC[C@@H](CC(F)(F)F)NCc1cccc(F)c1F ZINC000546178510 334018345 /nfs/dbraw/zinc/01/83/45/334018345.db2.gz FKMNOFNMLIAVQT-VIFPVBQESA-N 0 1 267.241 3.785 20 0 CHADMN CC(C)C[C@@H]1CCN(Cc2nccn2Cc2ccccc2)C1 ZINC000074995441 334022354 /nfs/dbraw/zinc/02/23/54/334022354.db2.gz HAPXFRIMWBXJBP-SFHVURJKSA-N 0 1 297.446 3.799 20 0 CHADMN C/C(=C\c1ccccc1)C[N@H+]1CCOCC2(CCC2)C1 ZINC000546264902 334023827 /nfs/dbraw/zinc/02/38/27/334023827.db2.gz KCPZUSURBXEYGC-FOWTUZBSSA-N 0 1 271.404 3.592 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1ncc(C(C)(C)C)o1 ZINC000075021153 334024161 /nfs/dbraw/zinc/02/41/61/334024161.db2.gz OQAAFFHUTYEVKW-TXEJJXNPSA-N 0 1 250.386 3.735 20 0 CHADMN Cc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)c(C)c1 ZINC000546434837 334032522 /nfs/dbraw/zinc/03/25/22/334032522.db2.gz FXIUIRXOUWKCNS-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN CCC[C@H](C)Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000546442160 334032658 /nfs/dbraw/zinc/03/26/58/334032658.db2.gz SAWGJNCUYGTRPC-JTQLQIEISA-N 0 1 270.336 3.592 20 0 CHADMN Cc1cc(CN[C@@H](C)CCc2ccc(Cl)s2)no1 ZINC000546659407 334044319 /nfs/dbraw/zinc/04/43/19/334044319.db2.gz AIYUQJDXFUXXGO-VIFPVBQESA-N 0 1 284.812 3.809 20 0 CHADMN CCCC[N@@H+](CC)CC(=O)Nc1sc(C)c(C)c1C ZINC000075593610 334046339 /nfs/dbraw/zinc/04/63/39/334046339.db2.gz ZMAQHYNHEGMBDA-UHFFFAOYSA-N 0 1 282.453 3.734 20 0 CHADMN CCCCN(CC)CC(=O)Nc1sc(C)c(C)c1C ZINC000075593610 334046341 /nfs/dbraw/zinc/04/63/41/334046341.db2.gz ZMAQHYNHEGMBDA-UHFFFAOYSA-N 0 1 282.453 3.734 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1CCCCCC1 ZINC000075608051 334046891 /nfs/dbraw/zinc/04/68/91/334046891.db2.gz LGNJXSMVMUCMMM-LLVKDONJSA-N 0 1 277.393 3.735 20 0 CHADMN CCC[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000546750513 334049550 /nfs/dbraw/zinc/04/95/50/334049550.db2.gz GQERRFSYDAVAQP-OAHLLOKOSA-N 0 1 297.402 3.872 20 0 CHADMN c1ccc2oc(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)nc2c1 ZINC000075768684 334050712 /nfs/dbraw/zinc/05/07/12/334050712.db2.gz IRZRECLKZDRLJP-JSGCOSHPSA-N 0 1 256.349 3.592 20 0 CHADMN Cc1cccc(-c2noc(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)n2)c1 ZINC000075769292 334050758 /nfs/dbraw/zinc/05/07/58/334050758.db2.gz MQDAAPADWRUDJO-HOCLYGCPSA-N 0 1 297.402 3.810 20 0 CHADMN Cc1cccc(-c2noc(CN3CCC[C@@H]4CCC[C@@H]43)n2)c1 ZINC000075769292 334050759 /nfs/dbraw/zinc/05/07/59/334050759.db2.gz MQDAAPADWRUDJO-HOCLYGCPSA-N 0 1 297.402 3.810 20 0 CHADMN Cc1cccc(-c2noc(C[N@H+]3CCC[C@H]4CCC[C@@H]43)n2)c1 ZINC000075769291 334050802 /nfs/dbraw/zinc/05/08/02/334050802.db2.gz MQDAAPADWRUDJO-ZBFHGGJFSA-N 0 1 297.402 3.810 20 0 CHADMN Cc1cccc(-c2noc(CN3CCC[C@H]4CCC[C@@H]43)n2)c1 ZINC000075769291 334050803 /nfs/dbraw/zinc/05/08/03/334050803.db2.gz MQDAAPADWRUDJO-ZBFHGGJFSA-N 0 1 297.402 3.810 20 0 CHADMN CCS[C@H]1CC[C@H](N(C)Cc2ccncc2Cl)C1 ZINC000076070538 334069904 /nfs/dbraw/zinc/06/99/04/334069904.db2.gz LLJRORQZMAJGGX-STQMWFEESA-N 0 1 284.856 3.841 20 0 CHADMN CC(C)(C)C=Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000547167442 334070416 /nfs/dbraw/zinc/07/04/16/334070416.db2.gz IWJWYXZCLATRJZ-VOTSOKGWSA-N 0 1 268.320 3.672 20 0 CHADMN CCOc1cc(CN[C@@H](C)c2ccoc2)ccc1OC ZINC000134000682 334077018 /nfs/dbraw/zinc/07/70/18/334077018.db2.gz PKJTVJQSVRYXKQ-LBPRGKRZSA-N 0 1 275.348 3.538 20 0 CHADMN CN(Cc1nnc(-c2ccccc2)n1C)C1CCCCCC1 ZINC000134283687 334086804 /nfs/dbraw/zinc/08/68/04/334086804.db2.gz OGAPOQANBCHXTI-UHFFFAOYSA-N 0 1 298.434 3.637 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000547432995 334087854 /nfs/dbraw/zinc/08/78/54/334087854.db2.gz KYIHBMZIRDNXQT-NWDGAFQWSA-N 0 1 293.436 3.946 20 0 CHADMN Cc1ccc(CNC(C)(C)c2cccc(C)c2)nc1 ZINC000134342334 334088395 /nfs/dbraw/zinc/08/83/95/334088395.db2.gz VDBSGGDFJLQUDZ-UHFFFAOYSA-N 0 1 254.377 3.723 20 0 CHADMN Cc1cc(C(=O)Nc2cccc(Cl)c2O)c(C)o1 ZINC000077011415 334093430 /nfs/dbraw/zinc/09/34/30/334093430.db2.gz UYQCPJCCOWTEDL-UHFFFAOYSA-N 0 1 265.696 3.508 20 0 CHADMN Cc1cc(OCc2nc(C(F)(F)F)cs2)cc(C)n1 ZINC000547491831 334093827 /nfs/dbraw/zinc/09/38/27/334093827.db2.gz MTVOTLFRUMTLHA-UHFFFAOYSA-N 0 1 288.294 3.753 20 0 CHADMN CS[C@H]1CCCCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000134551339 334095006 /nfs/dbraw/zinc/09/50/06/334095006.db2.gz FUNZCOCTRGWYKX-LBPRGKRZSA-N 0 1 294.395 3.684 20 0 CHADMN CCC[C@@H]1CCCC[C@H]1NCc1ncn(-c2ccccc2)n1 ZINC000547509240 334096248 /nfs/dbraw/zinc/09/62/48/334096248.db2.gz PALCZKIFEJQAOG-NVXWUHKLSA-N 0 1 298.434 3.716 20 0 CHADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000134971532 334110011 /nfs/dbraw/zinc/11/00/11/334110011.db2.gz XWDAPIFWBWKCOB-NXEZZACHSA-N 0 1 286.188 3.819 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2ccc(F)c(Br)c2)C1 ZINC000134971532 334110012 /nfs/dbraw/zinc/11/00/12/334110012.db2.gz XWDAPIFWBWKCOB-NXEZZACHSA-N 0 1 286.188 3.819 20 0 CHADMN c1cc2c(o1)CCCN(Cc1c[nH]nc1-c1ccccc1)C2 ZINC000564330011 334114613 /nfs/dbraw/zinc/11/46/13/334114613.db2.gz JIMQGYHUUMGDNG-UHFFFAOYSA-N 0 1 293.370 3.618 20 0 CHADMN COC(=O)c1ccc(C[N@@H+](C(C)C)C2CCCC2)c(F)c1 ZINC000547767791 334115931 /nfs/dbraw/zinc/11/59/31/334115931.db2.gz IUCLMZUZMNCIKE-UHFFFAOYSA-N 0 1 293.382 3.765 20 0 CHADMN CCN(Cc1ccccc1C)C(=O)c1ccc(F)cc1O ZINC000135212516 334119738 /nfs/dbraw/zinc/11/97/38/334119738.db2.gz NWBISPPPILYQSV-UHFFFAOYSA-N 0 1 287.334 3.502 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N(C)CCC1CC1 ZINC000135262145 334122563 /nfs/dbraw/zinc/12/25/63/334122563.db2.gz GJGOXNAUPCULJB-NSHDSACASA-N 0 1 250.386 3.765 20 0 CHADMN C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N(C)CCC1CC1 ZINC000135279317 334123424 /nfs/dbraw/zinc/12/34/24/334123424.db2.gz JITZKWAYXAKKTB-JTQLQIEISA-N 0 1 298.789 3.538 20 0 CHADMN CCC[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000547830003 334124128 /nfs/dbraw/zinc/12/41/28/334124128.db2.gz QQYVLCLRZCJVCE-CYBMUJFWSA-N 0 1 257.381 3.575 20 0 CHADMN COc1ccc(-c2nc(CN(C(C)C)C3CC3)co2)cc1 ZINC000078534661 334135381 /nfs/dbraw/zinc/13/53/81/334135381.db2.gz HVNBSFORNVFNIK-UHFFFAOYSA-N 0 1 286.375 3.723 20 0 CHADMN C[C@H]1CCC[C@H](N(C)Cc2nc(Cc3ccccc3)no2)C1 ZINC000078539775 334135534 /nfs/dbraw/zinc/13/55/34/334135534.db2.gz XJFFGLVHIAYXAB-HOCLYGCPSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1cc(OCc2ccc3ncccc3c2)cc(C)n1 ZINC000548142176 334142272 /nfs/dbraw/zinc/14/22/72/334142272.db2.gz YGCATPWOXDVWSR-UHFFFAOYSA-N 0 1 264.328 3.826 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC000548176200 334144927 /nfs/dbraw/zinc/14/49/27/334144927.db2.gz QKMURMXONVPMRV-JQWIXIFHSA-N 0 1 297.324 3.726 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc2nc[nH]c2c1 ZINC000548176200 334144928 /nfs/dbraw/zinc/14/49/28/334144928.db2.gz QKMURMXONVPMRV-JQWIXIFHSA-N 0 1 297.324 3.726 20 0 CHADMN C[C@@H](CN[C@@H](C)c1ccc(F)cc1F)C(F)(F)F ZINC000548485934 334159906 /nfs/dbraw/zinc/15/99/06/334159906.db2.gz ZUWAUGNFFWQMPA-YUMQZZPRSA-N 0 1 267.241 3.814 20 0 CHADMN Cc1ccsc1CNCc1cc(Cl)cc2c1OCC2 ZINC000136393819 334153841 /nfs/dbraw/zinc/15/38/41/334153841.db2.gz GWQGTDZONXABNF-UHFFFAOYSA-N 0 1 293.819 3.935 20 0 CHADMN CC[C@H]1CCCC[C@H]1N(C)Cc1csc(COC)n1 ZINC000548403536 334154492 /nfs/dbraw/zinc/15/44/92/334154492.db2.gz UFKUZYAXMAZTLN-GXTWGEPZSA-N 0 1 282.453 3.690 20 0 CHADMN C[C@@H]1c2c(F)cccc2CCN1C[C@H]1CCC(C)(C)O1 ZINC000548485174 334159583 /nfs/dbraw/zinc/15/95/83/334159583.db2.gz UFMWUOVJEJZLQR-TZMCWYRMSA-N 0 1 277.383 3.702 20 0 CHADMN CCN(CCc1ccccc1)C(=O)c1c(C)n[nH]c1C(C)C ZINC000136998033 334166666 /nfs/dbraw/zinc/16/66/66/334166666.db2.gz FNCHHETZXWQTFU-UHFFFAOYSA-N 0 1 299.418 3.546 20 0 CHADMN CCS[C@H](C)c1noc(CNC(CC)(CC)CC)n1 ZINC000137661635 334175976 /nfs/dbraw/zinc/17/59/76/334175976.db2.gz UOOLDKWBJQCRDY-LLVKDONJSA-N 0 1 285.457 3.942 20 0 CHADMN CC(C)(CNCc1csc(C2CC2)n1)C(F)(F)F ZINC000548973252 334180634 /nfs/dbraw/zinc/18/06/34/334180634.db2.gz DUPTUSVWYYGQMS-UHFFFAOYSA-N 0 1 278.343 3.699 20 0 CHADMN C[C@H](C1CCCCC1)N(C)Cc1cn(-c2ccccc2)nn1 ZINC000548930136 334180782 /nfs/dbraw/zinc/18/07/82/334180782.db2.gz OJZIRDSSSLKAKT-OAHLLOKOSA-N 0 1 298.434 3.668 20 0 CHADMN Fc1ccc2c(c1)CCN(C[C@@H]1CCC3(CCCC3)O1)C2 ZINC000549136857 334185787 /nfs/dbraw/zinc/18/57/87/334185787.db2.gz KYENALLZPMNRFL-KRWDZBQOSA-N 0 1 289.394 3.676 20 0 CHADMN O[C@@H]1CCCC[C@@H]1N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000549187787 334187429 /nfs/dbraw/zinc/18/74/29/334187429.db2.gz VEFPOVPEKIFBNJ-ARFHVFGLSA-N 0 1 297.801 3.514 20 0 CHADMN COc1ccc(CN2CC(C)C2)cc1OCCC(C)C ZINC000549406982 334192706 /nfs/dbraw/zinc/19/27/06/334192706.db2.gz WVAPSJFOGCZWMP-UHFFFAOYSA-N 0 1 277.408 3.572 20 0 CHADMN Cc1nc(CN2C[C@H](C)CC[C@H]2C)nc2ccccc12 ZINC000245442302 334193657 /nfs/dbraw/zinc/19/36/57/334193657.db2.gz HXHOUXVNWAPPOM-CHWSQXEVSA-N 0 1 269.392 3.559 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@H](C)C1 ZINC000245461047 334195159 /nfs/dbraw/zinc/19/51/59/334195159.db2.gz FORKQLYMBRCPFV-VXGBXAGGSA-N 0 1 250.386 3.765 20 0 CHADMN CC[C@H](O)[C@@H]1CCCCN1Cc1cccc(F)c1Cl ZINC000549857889 334206901 /nfs/dbraw/zinc/20/69/01/334206901.db2.gz UWAZMLJYDXOUKO-KBPBESRZSA-N 0 1 285.790 3.605 20 0 CHADMN Cc1cc(Br)ccc1CN1C[C@H](C)[C@H]1C ZINC000549924307 334209144 /nfs/dbraw/zinc/20/91/44/334209144.db2.gz VZOPLDLQZWLCFN-WDEREUQCSA-N 0 1 268.198 3.598 20 0 CHADMN CCCCN(Cc1ncnn1CCC)[C@H]1CCC[C@@H](C)C1 ZINC000549999722 334211323 /nfs/dbraw/zinc/21/13/23/334211323.db2.gz ANWVTSVOZDPVGM-CVEARBPZSA-N 0 1 292.471 3.869 20 0 CHADMN CCOCC(C)(C)NCc1csc(-c2cccs2)n1 ZINC000550211529 334216224 /nfs/dbraw/zinc/21/62/24/334216224.db2.gz OGRLEYICIISGEQ-UHFFFAOYSA-N 0 1 296.461 3.776 20 0 CHADMN CC(F)(F)CNCC1CCC(C(F)(F)F)CC1 ZINC000550256089 334217543 /nfs/dbraw/zinc/21/75/43/334217543.db2.gz POJRJEKZOIKIAQ-UHFFFAOYSA-N 0 1 259.262 3.600 20 0 CHADMN CC(=O)c1c(C)cc(C)c(CN2C[C@H](C)[C@H]2C)c1C ZINC000550306022 334219556 /nfs/dbraw/zinc/21/95/56/334219556.db2.gz OIBNANQOLJMBNV-GXTWGEPZSA-N 0 1 259.393 3.655 20 0 CHADMN CC(C)n1ccnc1CN1CCC[C@H]2CCCC[C@H]21 ZINC000245834676 334220928 /nfs/dbraw/zinc/22/09/28/334220928.db2.gz BREWWZAZYSAZOH-HUUCEWRRSA-N 0 1 261.413 3.619 20 0 CHADMN Fc1cccc(F)c1CN1CC[C@@H](CC2CC2)C1 ZINC000550410492 334222074 /nfs/dbraw/zinc/22/20/74/334222074.db2.gz VNLQMXJKFNBTLH-LBPRGKRZSA-N 0 1 251.320 3.587 20 0 CHADMN CC(F)(F)CN[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000550860012 334229434 /nfs/dbraw/zinc/22/94/34/334229434.db2.gz GAGTXUDSYQKTGE-ZIAGYGMSSA-N 0 1 253.336 3.742 20 0 CHADMN CC(F)(F)CN[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000550860011 334230804 /nfs/dbraw/zinc/23/08/04/334230804.db2.gz GAGTXUDSYQKTGE-UONOGXRCSA-N 0 1 253.336 3.742 20 0 CHADMN Cc1ccc([C@H]2CCC[C@H]2NCC(C)(F)F)cc1 ZINC000550882658 334231271 /nfs/dbraw/zinc/23/12/71/334231271.db2.gz QMXCKZWTMZZISE-ZIAGYGMSSA-N 0 1 253.336 3.876 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cn3ccccc3n2)cc1 ZINC000550885582 334231757 /nfs/dbraw/zinc/23/17/57/334231757.db2.gz HEUJCNNPZYKTEN-UONOGXRCSA-N 0 1 295.386 3.755 20 0 CHADMN CC[C@H]1CCN([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000246145574 334236508 /nfs/dbraw/zinc/23/65/08/334236508.db2.gz BQCBGNJIWOAMTR-MNOVXSKESA-N 0 1 277.393 3.591 20 0 CHADMN CC[C@@H]1CCN([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000246145565 334236533 /nfs/dbraw/zinc/23/65/33/334236533.db2.gz BQCBGNJIWOAMTR-GHMZBOCLSA-N 0 1 277.393 3.591 20 0 CHADMN Cc1cccc(C[C@H](NCC(C)(F)F)C2CC2)c1 ZINC000551256229 334243111 /nfs/dbraw/zinc/24/31/11/334243111.db2.gz XOXWPDUDXBSINZ-AWEZNQCLSA-N 0 1 253.336 3.561 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)N[C@H]1CCC[C@H]1F ZINC000551301204 334245580 /nfs/dbraw/zinc/24/55/80/334245580.db2.gz GYNZVBIPYGTIPF-BNOWGMLFSA-N 0 1 251.345 3.545 20 0 CHADMN Cc1ccccc1[C@H]1CN(CCCCCF)[C@H](C)CO1 ZINC000551387175 334248692 /nfs/dbraw/zinc/24/86/92/334248692.db2.gz WGBALTVQALHNGM-NVXWUHKLSA-N 0 1 279.399 3.897 20 0 CHADMN Cc1ccc2nc(CN3CC4C[C@@H]5CC3C[C@H](C4)C5)cn2c1 ZINC000551552815 334254052 /nfs/dbraw/zinc/25/40/52/334254052.db2.gz RVHKCIBJJUKAMS-SFYZZRBRSA-N 0 1 295.430 3.653 20 0 CHADMN CCOC[C@@H]1CCCN([C@H](C)c2cc(F)ccc2F)C1 ZINC000247119440 334275981 /nfs/dbraw/zinc/27/59/81/334275981.db2.gz YTJFDVNEXVXCIC-CHWSQXEVSA-N 0 1 283.362 3.774 20 0 CHADMN CO[C@@H]1CCCN([C@@H](C)c2ccc(Br)cc2)C1 ZINC000246637272 334266097 /nfs/dbraw/zinc/26/60/97/334266097.db2.gz WUBKHZRGLYPWOU-SMDDNHRTSA-N 0 1 298.224 3.621 20 0 CHADMN C[C@H]1CCN(Cc2noc(-c3ccsc3)n2)C[C@@H](C)C1 ZINC000246648027 334266163 /nfs/dbraw/zinc/26/61/63/334266163.db2.gz KAQVHWFRKCVFAK-RYUDHWBXSA-N 0 1 291.420 3.666 20 0 CHADMN C[C@H]1CCN(Cc2nc(C3CCCC3)no2)C[C@@H](C)C1 ZINC000246674852 334266789 /nfs/dbraw/zinc/26/67/89/334266789.db2.gz LNUNAHNZUJIERV-STQMWFEESA-N 0 1 277.412 3.595 20 0 CHADMN COC[C@@H]1CCCN([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000246765062 334269140 /nfs/dbraw/zinc/26/91/40/334269140.db2.gz OEGMGSGGJNGUEB-NWDGAFQWSA-N 0 1 285.790 3.899 20 0 CHADMN c1cc(Sc2ccccn2)oc1CN1C2CCC1CC2 ZINC000552022023 334277508 /nfs/dbraw/zinc/27/75/08/334277508.db2.gz VQMVIVRBYSMBEL-UHFFFAOYSA-N 0 1 286.400 3.953 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](c2nccn2C)C2CC2)cc1 ZINC000552090422 334288310 /nfs/dbraw/zinc/28/83/10/334288310.db2.gz JLTVBDHHKWNBIC-GUYCJALGSA-N 0 1 283.419 3.784 20 0 CHADMN Cc1cc(C)c(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1C ZINC000552147229 334295074 /nfs/dbraw/zinc/29/50/74/334295074.db2.gz UAIKUHKQLGZLHW-RBUKOAKNSA-N 0 1 285.431 3.755 20 0 CHADMN CCc1noc([C@@H](C)N2CC[C@@H](c3cc(C)cc(C)c3)C2)n1 ZINC000248452172 334302645 /nfs/dbraw/zinc/30/26/45/334302645.db2.gz JJWIEOIITQDGAY-HUUCEWRRSA-N 0 1 299.418 3.799 20 0 CHADMN C[C@@H]1CCC[C@@H](NCc2nc(C3CCCC3)no2)[C@H]1C ZINC000248542399 334305466 /nfs/dbraw/zinc/30/54/66/334305466.db2.gz CMHIQDWWPPQFLZ-MBNYWOFBSA-N 0 1 277.412 3.642 20 0 CHADMN CC(C)c1noc([C@@H](C)N[C@H]2CC[C@@H](C)C[C@@H]2C)n1 ZINC000248561397 334306346 /nfs/dbraw/zinc/30/63/46/334306346.db2.gz MZNSGDWNHJIENA-XQHKEYJVSA-N 0 1 265.401 3.668 20 0 CHADMN COC[C@@H]1CCN1Cc1ccc(-c2ccccc2Cl)o1 ZINC000552315457 334315951 /nfs/dbraw/zinc/31/59/51/334315951.db2.gz RZFXHDQJDGMXIZ-LBPRGKRZSA-N 0 1 291.778 3.821 20 0 CHADMN C[C@@H](N[C@H]1CCC[C@@H](C)C1)c1nc(Cc2ccccc2)no1 ZINC000248911743 334321581 /nfs/dbraw/zinc/32/15/81/334321581.db2.gz YEVFKTPMAKRKHG-FMKPAKJESA-N 0 1 299.418 3.890 20 0 CHADMN C[C@H](c1nc(C2CCCC2)no1)N1[C@H](C)CC[C@@H]1C ZINC000248943576 334322375 /nfs/dbraw/zinc/32/23/75/334322375.db2.gz OJVYZQLFIWWOQT-GRYCIOLGSA-N 0 1 263.385 3.661 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCS[C@@H](C)CC1 ZINC000249056618 334326005 /nfs/dbraw/zinc/32/60/05/334326005.db2.gz ORMXKMAVXPZGLG-WDEREUQCSA-N 0 1 271.376 3.853 20 0 CHADMN C[C@@H]1CCC[C@H](CN[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000249168864 334329241 /nfs/dbraw/zinc/32/92/41/334329241.db2.gz AGRYMEYJQOFYFI-HLLBOEOZSA-N 0 1 283.419 3.915 20 0 CHADMN CO[C@@H]1CN(Cc2cnc(C3CCCC3)s2)CC[C@@H]1C ZINC000249180938 334329442 /nfs/dbraw/zinc/32/94/42/334329442.db2.gz NEOYJHQNXMIURY-SWLSCSKDSA-N 0 1 294.464 3.658 20 0 CHADMN CC[C@H]1CN(Cc2ccc3nc(C)ccc3c2)C[C@@H](C)O1 ZINC000249192055 334329782 /nfs/dbraw/zinc/32/97/82/334329782.db2.gz OLTMZXWUINZOQV-PBHICJAKSA-N 0 1 284.403 3.543 20 0 CHADMN COC[C@H](N[C@@H](C)c1ccccc1N(C)C)c1ccccc1 ZINC000089667896 334348240 /nfs/dbraw/zinc/34/82/40/334348240.db2.gz XFSKRWLMOGFICT-YJBOKZPZSA-N 0 1 298.430 3.791 20 0 CHADMN C[C@@H]1CCC[C@@H](NCc2noc(-c3cccs3)n2)[C@@H]1C ZINC000552979754 334354452 /nfs/dbraw/zinc/35/44/52/334354452.db2.gz XZMIZTZECHOLGS-IJLUTSLNSA-N 0 1 291.420 3.712 20 0 CHADMN COc1ccc(OC(F)F)c(CN2CC[C@H]2C(C)C)c1 ZINC000553164969 334366101 /nfs/dbraw/zinc/36/61/01/334366101.db2.gz APLPLKKFTMXKSZ-ZDUSSCGKSA-N 0 1 285.334 3.527 20 0 CHADMN Cc1occc1CNCc1cc2cc(C)ccc2o1 ZINC000553330657 334378099 /nfs/dbraw/zinc/37/80/99/334378099.db2.gz PAZXYKMBBSBXLM-UHFFFAOYSA-N 0 1 255.317 3.932 20 0 CHADMN CCCC[C@@H](COC)N[C@H](C)c1nc2c(s1)CCCC2 ZINC000091726601 334382492 /nfs/dbraw/zinc/38/24/92/334382492.db2.gz RNNSKZLDPMTZKW-OLZOCXBDSA-N 0 1 296.480 3.878 20 0 CHADMN CCCC[C@@H](C)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000553814226 334399683 /nfs/dbraw/zinc/39/96/83/334399683.db2.gz SNKWXJFTKJMRFN-LLVKDONJSA-N 0 1 259.353 3.636 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@@H](C)c1ccc(C)cc1 ZINC000553891059 334402619 /nfs/dbraw/zinc/40/26/19/334402619.db2.gz UAENZEFZJQSBHO-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN Cc1nc(CN[C@@H]2CC[C@@H]2C2CCC2)nc2ccccc12 ZINC000554725199 334449221 /nfs/dbraw/zinc/44/92/21/334449221.db2.gz ORQQSFATDOUACR-HZPDHXFCSA-N 0 1 281.403 3.607 20 0 CHADMN Cc1nc(C2(NCCCC(C)C)CCCCCC2)no1 ZINC000554917277 334460605 /nfs/dbraw/zinc/46/06/05/334460605.db2.gz WFHJJRDWJGAPQN-UHFFFAOYSA-N 0 1 279.428 3.953 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H]1F)c1ccc(F)cc1OC(F)F ZINC000556259498 334504709 /nfs/dbraw/zinc/50/47/09/334504709.db2.gz GUIKXPJQXLCDBI-KPXOXKRLSA-N 0 1 291.288 3.968 20 0 CHADMN CC[C@@H](F)CN1CCC(c2cccc(F)c2F)CC1 ZINC000564628815 334514332 /nfs/dbraw/zinc/51/43/32/334514332.db2.gz YTKQCSWVRBVKOE-GFCCVEGCSA-N 0 1 271.326 3.892 20 0 CHADMN c1sc(Cc2ccccc2)nc1CN1C[C@@H]2CCC[C@H]2C1 ZINC000152857531 334519875 /nfs/dbraw/zinc/51/98/75/334519875.db2.gz ORXXFRHIBOLALO-HOTGVXAUSA-N 0 1 298.455 3.966 20 0 CHADMN Cc1ccc([C@@H](N)C(=O)Nc2cccc3c2CCCC3)cc1 ZINC000262571207 334556536 /nfs/dbraw/zinc/55/65/36/334556536.db2.gz XLYSBFZBBHGRCE-GOSISDBHSA-N 0 1 294.398 3.512 20 0 CHADMN FC(F)(F)c1cccc(CNc2cc3c(cn2)CCC3)c1 ZINC000565376838 334557954 /nfs/dbraw/zinc/55/79/54/334557954.db2.gz QSBDOPYMRJGCGM-UHFFFAOYSA-N 0 1 292.304 3.623 20 0 CHADMN C[C@H](N[C@H]1C[C@H](OC(C)(C)C)C1(C)C)c1cscn1 ZINC000565409121 334560286 /nfs/dbraw/zinc/56/02/86/334560286.db2.gz LYNLOOHZOBRAGC-DRZSPHRISA-N 0 1 282.453 3.776 20 0 CHADMN Oc1cccc(CN[C@H]2CSCCc3ccccc32)c1 ZINC000154441719 334694391 /nfs/dbraw/zinc/69/43/91/334694391.db2.gz TWXMCSLKGBMWBF-KRWDZBQOSA-N 0 1 285.412 3.512 20 0 CHADMN Cc1nc2cc(N[C@H]3CC=C(C)CC3)ccc2n1C ZINC000567258072 334698626 /nfs/dbraw/zinc/69/86/26/334698626.db2.gz JPNNTOKRGHZYJO-ZDUSSCGKSA-N 0 1 255.365 3.792 20 0 CHADMN CCCOc1ccc(CN[C@H](C)c2ccccc2F)cn1 ZINC000156646433 334746160 /nfs/dbraw/zinc/74/61/60/334746160.db2.gz DYFFVPLJDOQARI-CYBMUJFWSA-N 0 1 288.366 3.860 20 0 CHADMN COc1ccc(OC)c(CN[C@H](C)c2cccc(C)c2)c1 ZINC000157209660 334763326 /nfs/dbraw/zinc/76/33/26/334763326.db2.gz IJENKFARTJPCBT-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN c1sc(CNC[C@@H]2CCC=CO2)nc1-c1ccccc1 ZINC000275854929 334794983 /nfs/dbraw/zinc/79/49/83/334794983.db2.gz SGTKLMAODSDLHP-AWEZNQCLSA-N 0 1 286.400 3.592 20 0 CHADMN CC(=O)c1cc(NC(=O)c2c(C)n[nH]c2C(C)C)ccc1C ZINC000576409877 335200624 /nfs/dbraw/zinc/20/06/24/335200624.db2.gz DSFMTYOFGDVPAZ-UHFFFAOYSA-N 0 1 299.374 3.605 20 0 CHADMN Cc1ccc(-c2cnc(CN(C)C(C)(C)C)o2)cc1 ZINC000576515687 335213199 /nfs/dbraw/zinc/21/31/99/335213199.db2.gz QPHZATVNHFZGPW-UHFFFAOYSA-N 0 1 258.365 3.880 20 0 CHADMN Brc1ccccc1CN1CC(C2CCC2)C1 ZINC000576551756 335218264 /nfs/dbraw/zinc/21/82/64/335218264.db2.gz MITDXBBSCVLLLL-UHFFFAOYSA-N 0 1 280.209 3.681 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCc3nn(C)cc32)c(Cl)c1 ZINC000576709314 335238373 /nfs/dbraw/zinc/23/83/73/335238373.db2.gz OPFGCFRCOAXKTI-OAHLLOKOSA-N 0 1 289.810 3.549 20 0 CHADMN CC[C@H]1c2ccsc2CCN1Cc1ccncc1C ZINC000576787672 335247765 /nfs/dbraw/zinc/24/77/65/335247765.db2.gz BRHQKRKLPNBCRC-HNNXBMFYSA-N 0 1 272.417 3.961 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2[C@@H](C(=O)[O-])c2ccccc2)o1 ZINC000580574711 335288005 /nfs/dbraw/zinc/28/80/05/335288005.db2.gz HYMRTVREKRYQQI-GDBMZVCRSA-N 0 1 285.343 3.551 20 0 CHADMN CC(=O)c1cc(CN2CCC[C@@H]2CC2CCCCC2)on1 ZINC000577091569 335298500 /nfs/dbraw/zinc/29/85/00/335298500.db2.gz RIBFURLRXVWGIV-OAHLLOKOSA-N 0 1 290.407 3.812 20 0 CHADMN CC(C)(C)c1cc(CN2CCc3ccccc3CC2)no1 ZINC000577457720 335354360 /nfs/dbraw/zinc/35/43/60/335354360.db2.gz HTVDZFNIEZXXCL-UHFFFAOYSA-N 0 1 284.403 3.573 20 0 CHADMN C[C@H](NCc1cccc(NC(=O)C2CCC2)c1)c1ccoc1 ZINC000177717967 335381440 /nfs/dbraw/zinc/38/14/40/335381440.db2.gz GAGQVZMBUJWTJZ-ZDUSSCGKSA-N 0 1 298.386 3.869 20 0 CHADMN Cc1ncncc1[C@@H](C)NCc1ccc(C(F)F)cc1 ZINC000577865923 335414361 /nfs/dbraw/zinc/41/43/61/335414361.db2.gz SHBRAOOXAOTONA-SNVBAGLBSA-N 0 1 277.318 3.573 20 0 CHADMN Cc1ccn(-c2ccccc2CN[C@@H](C)c2ccoc2)n1 ZINC000178283046 335424184 /nfs/dbraw/zinc/42/41/84/335424184.db2.gz FFMZXNQWLZMLAJ-AWEZNQCLSA-N 0 1 281.359 3.625 20 0 CHADMN Clc1ccc(-c2noc(-c3ccc4cncn4c3)n2)cc1 ZINC000349681847 335476093 /nfs/dbraw/zinc/47/60/93/335476093.db2.gz XODOOAQEEOSRPX-UHFFFAOYSA-N 0 1 296.717 3.705 20 0 CHADMN C[C@H]1CCC[C@H](Cc2nc(-c3ccn4cncc4c3)no2)C1 ZINC000351044398 335560972 /nfs/dbraw/zinc/56/09/72/335560972.db2.gz GPDYGVZLTJZXKC-STQMWFEESA-N 0 1 296.374 3.753 20 0 CHADMN COc1ccccc1[C@H](N[C@@H]1CCCOC1)c1ccccc1 ZINC000180694896 335618055 /nfs/dbraw/zinc/61/80/55/335618055.db2.gz TWPAAZJKWZLFMD-VQIMIIECSA-N 0 1 297.398 3.553 20 0 CHADMN COCC[C@@H](NCc1ccc(F)cc1C)c1ccc(C)o1 ZINC000579164070 335717238 /nfs/dbraw/zinc/71/72/38/335717238.db2.gz YVYDARMYIQHYLR-MRXNPFEDSA-N 0 1 291.366 3.903 20 0 CHADMN COc1ccc(F)c(CNC(C)(C)c2ccccc2)c1 ZINC000579263140 335729944 /nfs/dbraw/zinc/72/99/44/335729944.db2.gz JTSPNZBSSIPFNO-UHFFFAOYSA-N 0 1 273.351 3.859 20 0 CHADMN C[C@@H](CC(C)(C)C)N[C@H](c1nccn1C)c1ccccc1 ZINC000580992394 335993367 /nfs/dbraw/zinc/99/33/67/335993367.db2.gz WITJCJKNAVRFDW-HOCLYGCPSA-N 0 1 285.435 3.924 20 0 CHADMN OC[C@H](NCCC1CCCCC1)c1c(F)cccc1F ZINC000581079292 336005256 /nfs/dbraw/zinc/00/52/56/336005256.db2.gz XKUYSPUJDNLTSL-HNNXBMFYSA-N 0 1 283.362 3.558 20 0 CHADMN C=Cn1cc(CN[C@@H](C)c2ccc(SCC)cc2)cn1 ZINC000194288974 336014157 /nfs/dbraw/zinc/01/41/57/336014157.db2.gz IUJSCYSJGNMCFO-ZDUSSCGKSA-N 0 1 287.432 3.946 20 0 CHADMN C[C@@H](O)[C@@H](N[C@@H](C)c1ccc(F)cc1)c1ccccc1F ZINC000581195388 336022968 /nfs/dbraw/zinc/02/29/68/336022968.db2.gz KGYHPIIYHKOIAH-XWCIJXRUSA-N 0 1 291.341 3.738 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000581255880 336033093 /nfs/dbraw/zinc/03/30/93/336033093.db2.gz JHESJMYUXLEQDF-KRWDZBQOSA-N 0 1 289.419 3.586 20 0 CHADMN CC1(C)CCC(CN[C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000195084155 336044687 /nfs/dbraw/zinc/04/46/87/336044687.db2.gz CSDDWNLKNQRORH-INIZCTEOSA-N 0 1 298.434 3.700 20 0 CHADMN CC[C@H](C)[C@@H](CNCc1c(F)cccc1Cl)OC ZINC000381124774 336050958 /nfs/dbraw/zinc/05/09/58/336050958.db2.gz FXKSUSGQMHNFBQ-IINYFYTJSA-N 0 1 273.779 3.630 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1Cl ZINC000381920520 336077300 /nfs/dbraw/zinc/07/73/00/336077300.db2.gz OESUNKUNDAQCDM-SMDDNHRTSA-N 0 1 293.794 3.803 20 0 CHADMN COc1ccc(Br)c(CN(C)C(C)(C)C)c1 ZINC000382056745 336081011 /nfs/dbraw/zinc/08/10/11/336081011.db2.gz XHABMWHGMHKCDS-UHFFFAOYSA-N 0 1 286.213 3.688 20 0 CHADMN FC(F)[C@H]1C[C@@H]1NCc1c(Cl)cccc1Cl ZINC000382262335 336085117 /nfs/dbraw/zinc/08/51/17/336085117.db2.gz XJBZWHRVYUYISQ-WKEGUHRASA-N 0 1 266.118 3.737 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)C1CCC1 ZINC000581494540 336089445 /nfs/dbraw/zinc/08/94/45/336089445.db2.gz RAJGQRUOVHNCDO-UHFFFAOYSA-N 0 1 281.783 3.801 20 0 CHADMN Cc1cnc([C@@H](C)N[C@@H]2C=CCCCCC2)s1 ZINC000383132615 336104639 /nfs/dbraw/zinc/10/46/39/336104639.db2.gz VHXBNBUUAHZUFG-CHWSQXEVSA-N 0 1 250.411 3.991 20 0 CHADMN CS[C@H]1CCC[C@H](Nc2ccnc(C)c2Cl)C1 ZINC000383490567 336110460 /nfs/dbraw/zinc/11/04/60/336110460.db2.gz ATBGQHFIWLISDK-QWRGUYRKSA-N 0 1 270.829 3.551 20 0 CHADMN Cc1nc2c(n1CCCCC1CCOCC1)CCCC2 ZINC000383504269 336111305 /nfs/dbraw/zinc/11/13/05/336111305.db2.gz CVMSINKVNOYTEZ-UHFFFAOYSA-N 0 1 276.424 3.667 20 0 CHADMN Cc1ccsc1C[N@H+](C)Cc1cc(C(=O)[O-])sc1C ZINC000383788841 336117827 /nfs/dbraw/zinc/11/78/27/336117827.db2.gz ZFYJHKGLEMRZFT-UHFFFAOYSA-N 0 1 295.429 3.757 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](Cc2csc(C(=O)[O-])c2)CC1 ZINC000581671871 336126035 /nfs/dbraw/zinc/12/60/35/336126035.db2.gz MPJRKTHFLBWEER-CYBMUJFWSA-N 0 1 281.421 3.704 20 0 CHADMN C[C@@H]1C[C@H](N[C@H](c2ccco2)c2ccccc2)[C@H](C)O1 ZINC000384859708 336133176 /nfs/dbraw/zinc/13/31/76/336133176.db2.gz GYAXDGQBDJDPHY-RMRKRWHISA-N 0 1 271.360 3.525 20 0 CHADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000581731912 336139646 /nfs/dbraw/zinc/13/96/46/336139646.db2.gz VSNYTYMDGXWSTD-AAEUAGOBSA-N 0 1 281.421 3.847 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000581833190 336149638 /nfs/dbraw/zinc/14/96/38/336149638.db2.gz FXGWYDGQWQALST-CYBMUJFWSA-N 0 1 285.391 3.659 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(-c2ccc(F)c(F)c2)no1 ZINC000386682224 336176996 /nfs/dbraw/zinc/17/69/96/336176996.db2.gz QBQVGOUIFYYZFI-LBPRGKRZSA-N 0 1 295.333 3.712 20 0 CHADMN CN(Cc1ccc(O)cc1)Cc1ccccc1OCC1CC1 ZINC000581995448 336186710 /nfs/dbraw/zinc/18/67/10/336186710.db2.gz LBQQPVRVCSHXPZ-UHFFFAOYSA-N 0 1 297.398 3.813 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H]2CCCC[C@H]2C2CC2)n1 ZINC000582002573 336189056 /nfs/dbraw/zinc/18/90/56/336189056.db2.gz SVYFQYIYBIDYED-IHRRRGAJSA-N 0 1 277.412 3.799 20 0 CHADMN CCCCCCNCc1ncc(C(F)(F)F)s1 ZINC000278643725 520092883 /nfs/dbraw/zinc/09/28/83/520092883.db2.gz LQJHPVYDDYCNMH-UHFFFAOYSA-N 0 1 266.332 3.832 20 0 CHADMN CCSCCN1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000340901192 521707579 /nfs/dbraw/zinc/70/75/79/521707579.db2.gz SHYFDRUBNPBEBJ-ZBFHGGJFSA-N 0 1 279.449 3.510 20 0 CHADMN Cc1cc(CSc2nc(C=Cc3ccccc3)n[nH]2)no1 ZINC000344261636 533751070 /nfs/dbraw/zinc/75/10/70/533751070.db2.gz NHSXZTKVYFOPSB-FPLPWBNLSA-N 0 1 298.371 3.564 20 0 CHADMN C[C@H](CCC(F)(F)F)Nc1cc2c(cn1)CCC2 ZINC000354538238 533812277 /nfs/dbraw/zinc/81/22/77/533812277.db2.gz LHXVLPTXITXELX-SECBINFHSA-N 0 1 258.287 3.713 20 0 CHADMN Cc1c(C)c(C)c(CN[C@H]2CCn3ccnc32)c(C)c1C ZINC000334667088 533828317 /nfs/dbraw/zinc/82/83/17/533828317.db2.gz UCVYGXHRZFJTGZ-KRWDZBQOSA-N 0 1 283.419 3.660 20 0 CHADMN CS[C@@H](C)CCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000345598583 533905266 /nfs/dbraw/zinc/90/52/66/533905266.db2.gz BDWXTNXPNOTXIW-ZETCQYMHSA-N 0 1 291.775 3.655 20 0 CHADMN Cc1ccc(CN2CC=C(C(F)(F)F)CC2)s1 ZINC000353748628 533913901 /nfs/dbraw/zinc/91/39/01/533913901.db2.gz IGQHOLAVLJYNHL-UHFFFAOYSA-N 0 1 261.312 3.751 20 0 CHADMN C[C@H](NCc1ccccc1F)c1ccccc1-n1cccn1 ZINC000347946263 533935284 /nfs/dbraw/zinc/93/52/84/533935284.db2.gz XIJZVOLMLKRPMM-AWEZNQCLSA-N 0 1 295.361 3.862 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(F)(F)F)C[C@H]2C)nc1 ZINC000336228231 533949953 /nfs/dbraw/zinc/94/99/53/533949953.db2.gz RQUXCKLBVKYCJB-NEPJUHHUSA-N 0 1 272.314 3.553 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000353798115 534011441 /nfs/dbraw/zinc/01/14/41/534011441.db2.gz UFKSAPVCSRQXJB-FXQIFTODSA-N 0 1 264.316 3.611 20 0 CHADMN C[C@@H]1CCN(Cc2ccncc2Cl)CC1(C)C ZINC000354043191 534042539 /nfs/dbraw/zinc/04/25/39/534042539.db2.gz WPFFVBMOZVNYHX-LLVKDONJSA-N 0 1 252.789 3.603 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN(CCCO)Cc2ccccc2)o1 ZINC000353357109 534050856 /nfs/dbraw/zinc/05/08/56/534050856.db2.gz WGOXFTGUZYYUNG-CRAIPNDOSA-N 0 1 299.414 3.788 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC(c2c[nH]cn2)CC1 ZINC000334147323 534064506 /nfs/dbraw/zinc/06/45/06/534064506.db2.gz TXRAXYDTPWCWHQ-NSHDSACASA-N 0 1 291.345 3.629 20 0 CHADMN Cc1ccc(CNCc2cnccc2C)c(OC(C)C)c1 ZINC000354489245 534073833 /nfs/dbraw/zinc/07/38/33/534073833.db2.gz BGGAKHLOTIGYQJ-UHFFFAOYSA-N 0 1 284.403 3.775 20 0 CHADMN C[C@@H](c1cnccn1)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000336131986 534131672 /nfs/dbraw/zinc/13/16/72/534131672.db2.gz UBSHHNOJCWYYAF-JSGCOSHPSA-N 0 1 287.794 3.681 20 0 CHADMN Cc1ccc(-c2cc(-c3nc(-c4ccoc4C)no3)[nH]n2)o1 ZINC000350418211 534165397 /nfs/dbraw/zinc/16/53/97/534165397.db2.gz BHWDNUAKIUCUPX-UHFFFAOYSA-N 0 1 296.286 3.597 20 0 CHADMN C[C@@H]1CC[C@@H](c2nc(C3(N)CCCCC3)no2)C[C@H]1C ZINC000331704688 534198097 /nfs/dbraw/zinc/19/80/97/534198097.db2.gz XSZXZNABRIKGQL-JHJVBQTASA-N 0 1 277.412 3.727 20 0 CHADMN Cc1ccc(-c2nnc(CN3CC[C@H](C)[C@@H](C)C3)o2)cc1 ZINC000347586678 534223864 /nfs/dbraw/zinc/22/38/64/534223864.db2.gz VJJMHGITPYLHFW-KBPBESRZSA-N 0 1 285.391 3.523 20 0 CHADMN C[C@@H]1CC[C@H](CN(Cc2ccco2)Cc2ccccc2)O1 ZINC000354889156 534236209 /nfs/dbraw/zinc/23/62/09/534236209.db2.gz IJEUUMFLZGSTHV-CRAIPNDOSA-N 0 1 285.387 3.849 20 0 CHADMN C[C@@H]1CC[C@H](c2ccccc2)N(Cc2n[nH]c(C3CC3)n2)C1 ZINC000352808825 534261090 /nfs/dbraw/zinc/26/10/90/534261090.db2.gz ZQMVGQRJDVUGRX-CZUORRHYSA-N 0 1 296.418 3.655 20 0 CHADMN C[C@@H]1CC[C@]2(CCN(Cc3ncc(C4CC4)o3)C2)C1 ZINC000334889728 534265156 /nfs/dbraw/zinc/26/51/56/534265156.db2.gz BXARAPNGJDSMSZ-WBMJQRKESA-N 0 1 260.381 3.564 20 0 CHADMN Cc1ccc([C@H](NCc2cccc(O)c2)C2CCC2)o1 ZINC000541740910 518189855 /nfs/dbraw/zinc/18/98/55/518189855.db2.gz JHPSRLRVMNSTCI-QGZVFWFLSA-N 0 1 271.360 3.925 20 0 CHADMN COC(=O)c1csc([C@H](C)NCc2ccc(F)cc2)c1 ZINC000353450549 534338492 /nfs/dbraw/zinc/33/84/92/534338492.db2.gz UFZFQQILXQEYKI-JTQLQIEISA-N 0 1 293.363 3.525 20 0 CHADMN C/C(=C/c1nc([C@H](N)CC(C)C)no1)c1ccc(F)cc1 ZINC000339395020 518415978 /nfs/dbraw/zinc/41/59/78/518415978.db2.gz RZGHOKQIUFWMDH-RBJHHQRMSA-N 0 1 289.354 3.815 20 0 CHADMN C/C(=C\c1nc([C@@H](N)CC(C)C)no1)c1ccc(F)cc1 ZINC000339395018 518448724 /nfs/dbraw/zinc/44/87/24/518448724.db2.gz RZGHOKQIUFWMDH-MARXPDLDSA-N 0 1 289.354 3.815 20 0 CHADMN C/C=C(\C)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000267601787 518482125 /nfs/dbraw/zinc/48/21/25/518482125.db2.gz QMGHSXJYNJAFLS-XANQCZFBSA-N 0 1 283.375 3.501 20 0 CHADMN CC(C)(C)Oc1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1 ZINC000236582106 518893401 /nfs/dbraw/zinc/89/34/01/518893401.db2.gz KEFMLGXGXXWLJA-INIZCTEOSA-N 0 1 298.386 3.502 20 0 CHADMN CC(C)(C)c1cc(CSc2nc(C(C)(C)C)n[nH]2)no1 ZINC000278656062 518999358 /nfs/dbraw/zinc/99/93/58/518999358.db2.gz WNLHCHAEBGCFCM-UHFFFAOYSA-N 0 1 294.424 3.680 20 0 CHADMN CC(C)(C)c1cc(CSc2n[nH]c(C(C)(C)C)n2)no1 ZINC000278656062 518999365 /nfs/dbraw/zinc/99/93/65/518999365.db2.gz WNLHCHAEBGCFCM-UHFFFAOYSA-N 0 1 294.424 3.680 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@]2(C)CCCc3ccccc32)n1 ZINC000339363234 519237101 /nfs/dbraw/zinc/23/71/01/519237101.db2.gz RDWQPGOXTWTRIB-CRAIPNDOSA-N 0 1 299.418 3.758 20 0 CHADMN FC(F)(F)[C@H]1CCCN(Cc2cc3cccnc3o2)C1 ZINC000336217583 534413508 /nfs/dbraw/zinc/41/35/08/534413508.db2.gz NULLCHKBDHXLBT-NSHDSACASA-N 0 1 284.281 3.602 20 0 CHADMN C=Cn1cc(CNCc2ccc(C3CCC3)cc2)cn1 ZINC000278827111 519323555 /nfs/dbraw/zinc/32/35/55/519323555.db2.gz IHRFQIZBZFUAEM-UHFFFAOYSA-N 0 1 267.376 3.541 20 0 CHADMN CC(C)(NCc1cncc(F)c1)c1cccc(Cl)c1 ZINC000275036229 519323658 /nfs/dbraw/zinc/32/36/58/519323658.db2.gz DSCKQUPECJFOFZ-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN CC(C)C[C@H](N)c1noc(C2(c3ccccc3)CCCC2)n1 ZINC000339396189 519374781 /nfs/dbraw/zinc/37/47/81/519374781.db2.gz OCEPRDLLARLRTK-HNNXBMFYSA-N 0 1 299.418 3.976 20 0 CHADMN CC(C)CCC1CCN(C(=O)c2ccc3cncn3c2)CC1 ZINC000339909541 519637276 /nfs/dbraw/zinc/63/72/76/519637276.db2.gz BODMIUITYNFRPW-UHFFFAOYSA-N 0 1 299.418 3.623 20 0 CHADMN Fc1cc(CN[C@H]2COCc3ccccc32)ccc1Cl ZINC000418093319 534442291 /nfs/dbraw/zinc/44/22/91/534442291.db2.gz BMDGOSFBLLYFNY-INIZCTEOSA-N 0 1 291.753 3.840 20 0 CHADMN Fc1cc(Cl)cc(CNCc2ccc3cc[nH]c3n2)c1 ZINC000353231753 534442699 /nfs/dbraw/zinc/44/26/99/534442699.db2.gz VEPPWLHNYXQFLC-UHFFFAOYSA-N 0 1 289.741 3.645 20 0 CHADMN CC(C)CN(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000049442555 519708848 /nfs/dbraw/zinc/70/88/48/519708848.db2.gz OHONQPOTTKJEBV-UHFFFAOYSA-N 0 1 289.206 3.520 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)NC2(c3ccccc3)CC2)c1 ZINC000272006245 519748584 /nfs/dbraw/zinc/74/85/84/519748584.db2.gz PEACIUPFUVSDIF-AWEZNQCLSA-N 0 1 294.398 3.985 20 0 CHADMN CC(C)C[C@@H](C)CN(C)Cc1nccn1CC(F)(F)F ZINC000337129308 519771511 /nfs/dbraw/zinc/77/15/11/519771511.db2.gz IIELPTKZPFYAKG-GFCCVEGCSA-N 0 1 291.361 3.559 20 0 CHADMN CC(C)[C@@H](C)CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000287074244 519790331 /nfs/dbraw/zinc/79/03/31/519790331.db2.gz VLNNZUVPGLZYPK-QMMMGPOBSA-N 0 1 273.735 3.805 20 0 CHADMN CC(C)[C@H](CN(C)Cc1ccon1)c1ccccc1 ZINC000280389983 519815167 /nfs/dbraw/zinc/81/51/67/519815167.db2.gz WSSCBHDBJDGGCM-INIZCTEOSA-N 0 1 258.365 3.546 20 0 CHADMN CC(C)[C@H]1C[C@@H](NCc2ccc(CO)o2)c2ccccc21 ZINC000279945385 519827316 /nfs/dbraw/zinc/82/73/16/519827316.db2.gz JPBJTHDJFAAZQV-QZTJIDSGSA-N 0 1 285.387 3.746 20 0 CHADMN CC(C)c1cc(C(=O)N2CCC[C@@H]2c2ccsc2)n[nH]1 ZINC000048780154 519831555 /nfs/dbraw/zinc/83/15/55/519831555.db2.gz KCGZBELTDKHSDP-CQSZACIVSA-N 0 1 289.404 3.572 20 0 CHADMN CC(C)c1cccc(NC(=O)c2ccc3cncn3c2)c1 ZINC000339890531 519842618 /nfs/dbraw/zinc/84/26/18/519842618.db2.gz WOBVZZURGNRRAV-UHFFFAOYSA-N 0 1 279.343 3.710 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC[C@@H]1C ZINC000247462564 519846312 /nfs/dbraw/zinc/84/63/12/519846312.db2.gz IMCLNLKNCNTHSS-UONOGXRCSA-N 0 1 274.408 3.621 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H]2C[C@@H](C)c3ccccc32)n[nH]1 ZINC000290286569 519867787 /nfs/dbraw/zinc/86/77/87/519867787.db2.gz MMSJIHAUDQNJDF-XUJVJEKNSA-N 0 1 284.407 3.827 20 0 CHADMN CC(C)c1noc([C@@H](C)N(C)C[C@H](C)c2ccccc2)n1 ZINC000263893809 519907806 /nfs/dbraw/zinc/90/78/06/519907806.db2.gz VGJBQDFVYBJBJF-UONOGXRCSA-N 0 1 287.407 3.990 20 0 CHADMN Fc1ccc(CNCc2cccc(-c3ccccn3)c2)nc1 ZINC000344907815 534466571 /nfs/dbraw/zinc/46/65/71/534466571.db2.gz QQVLMBBBPOYTHN-UHFFFAOYSA-N 0 1 293.345 3.573 20 0 CHADMN Fc1ccc(CNCc2csc3ccccc23)nc1 ZINC000344909922 534467453 /nfs/dbraw/zinc/46/74/53/534467453.db2.gz UYYULPOSIGMRAO-UHFFFAOYSA-N 0 1 272.348 3.725 20 0 CHADMN CC(C)n1nccc1CNC1(c2cccc(Cl)c2)CC1 ZINC000279540037 520107095 /nfs/dbraw/zinc/10/70/95/520107095.db2.gz ALIXWFMOUGZEEJ-UHFFFAOYSA-N 0 1 289.810 3.896 20 0 CHADMN CC/C=C(\C)C(=O)Nc1cccc2c1CN(CCC)C2 ZINC000066514522 520193069 /nfs/dbraw/zinc/19/30/69/520193069.db2.gz GIFJIJPBSSUGKU-NTUHNPAUSA-N 0 1 272.392 3.707 20 0 CHADMN Fc1ccc(F)c(C[C@H]2CCCN2Cc2ccccn2)c1 ZINC000418095374 534481070 /nfs/dbraw/zinc/48/10/70/534481070.db2.gz LMPHBWOTCZFNDF-MRXNPFEDSA-N 0 1 288.341 3.567 20 0 CHADMN CC1(C)CCCN1Cc1nnc(-c2ccccc2Cl)o1 ZINC000077382562 520337193 /nfs/dbraw/zinc/33/71/93/520337193.db2.gz HGCWZHKAZUAJTK-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN CCCOc1ccc(CN[C@H](C)c2cc(C)oc2C)cn1 ZINC000278793703 520374824 /nfs/dbraw/zinc/37/48/24/520374824.db2.gz QMSCYYBGXKKJNG-CYBMUJFWSA-N 0 1 288.391 3.931 20 0 CHADMN CC1(C)CCN(Cc2cc(-c3ccco3)on2)CC1 ZINC000339260528 520381759 /nfs/dbraw/zinc/38/17/59/520381759.db2.gz ZMXBQXULPUFSII-UHFFFAOYSA-N 0 1 260.337 3.557 20 0 CHADMN CCCOc1ccc(NCc2cn[nH]c2C)cc1Cl ZINC000037780797 520402226 /nfs/dbraw/zinc/40/22/26/520402226.db2.gz NICVRBLZIBBRNH-UHFFFAOYSA-N 0 1 279.771 3.772 20 0 CHADMN CCCCN(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000365887963 520433011 /nfs/dbraw/zinc/43/30/11/520433011.db2.gz ZONWLVDWAQIKSA-MRXNPFEDSA-N 0 1 289.810 3.951 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1Cc1ncnn1-c1ccccc1 ZINC000337129389 520671181 /nfs/dbraw/zinc/67/11/81/520671181.db2.gz BETLPEMTTBWBDE-WBVHZDCISA-N 0 1 298.434 3.668 20 0 CHADMN CCOc1cc(C)ccc1CN[C@@H](C)c1cccnc1 ZINC000151717716 520680888 /nfs/dbraw/zinc/68/08/88/520680888.db2.gz URLGKVUVFJQKID-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN CCC[C@@H](OC)c1noc(-c2ccc(Cl)cc2O)n1 ZINC000157386178 520808063 /nfs/dbraw/zinc/80/80/63/520808063.db2.gz PILNLDRKYPZTLO-LLVKDONJSA-N 0 1 282.727 3.583 20 0 CHADMN CCOc1ccc(CN(C)[C@H](C)c2cccnc2)cc1 ZINC000338583194 520963516 /nfs/dbraw/zinc/96/35/16/520963516.db2.gz NTONNVWLQUTSCK-CQSZACIVSA-N 0 1 270.376 3.673 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN[C@@H]1CSC[C@H]1C ZINC000352791521 534531967 /nfs/dbraw/zinc/53/19/67/534531967.db2.gz IPNUOUWHEMYLKM-BXKDBHETSA-N 0 1 294.445 3.553 20 0 CHADMN CCOc1ccc(CNCc2occc2C)cc1OCC ZINC000291713806 521005393 /nfs/dbraw/zinc/00/53/93/521005393.db2.gz LSKZXOIEJMAFFK-UHFFFAOYSA-N 0 1 289.375 3.675 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2cccnc2)cc1Cl ZINC000340621663 521006768 /nfs/dbraw/zinc/00/67/68/521006768.db2.gz NJXGVKNDMYXODV-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccccc2OC)cc1 ZINC000020096591 521009552 /nfs/dbraw/zinc/00/95/52/521009552.db2.gz DKPAGCRPQAEOGZ-CQSZACIVSA-N 0 1 285.387 3.945 20 0 CHADMN CCC[C@H](NCc1ccn(C)c1)c1ccc(F)cc1F ZINC000126672444 521166740 /nfs/dbraw/zinc/16/67/40/521166740.db2.gz HSLUDKRAAASMNZ-INIZCTEOSA-N 0 1 278.346 3.934 20 0 CHADMN CCC[C@H](N[C@@H](C)c1n[nH]c(CC)n1)c1ccsc1 ZINC000276894729 521169767 /nfs/dbraw/zinc/16/97/67/521169767.db2.gz IFXKZHJZTBONKW-JQWIXIFHSA-N 0 1 278.425 3.621 20 0 CHADMN Cc1nc([C@@H](C)N[C@H]2CCCC(F)(F)C2)cs1 ZINC000334885593 534545946 /nfs/dbraw/zinc/54/59/46/534545946.db2.gz HQRDVFRDGRXFMT-SCZZXKLOSA-N 0 1 260.353 3.680 20 0 CHADMN NC1(c2noc(-c3cc(F)cc(Cl)c3)n2)CCCCC1 ZINC000331708963 534551445 /nfs/dbraw/zinc/55/14/45/534551445.db2.gz ZFGAHQMRNQJAMK-UHFFFAOYSA-N 0 1 295.745 3.647 20 0 CHADMN CCCC[C@H](NCc1cc(C)nn1C)c1ccc(F)cc1 ZINC000284211500 521239679 /nfs/dbraw/zinc/23/96/79/521239679.db2.gz GXXMUFKMNOUTOT-KRWDZBQOSA-N 0 1 289.398 3.889 20 0 CHADMN CCC(C)(C)[C@@H]1CCCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000338552606 521362292 /nfs/dbraw/zinc/36/22/92/521362292.db2.gz UDQKVBKGBJVFSV-HNNXBMFYSA-N 0 1 299.418 3.912 20 0 CHADMN CCOc1cccc(NC(=O)c2cccc3nc(C)[nH]c32)c1 ZINC000338578370 521396615 /nfs/dbraw/zinc/39/66/15/521396615.db2.gz AAPWWMFAJWYMFT-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN CCN(Cc1cnn(C)c1)[C@@H](C)c1ccc(Cl)cc1 ZINC000299609049 521440625 /nfs/dbraw/zinc/44/06/25/521440625.db2.gz UOOBDTCUQGZRRE-LBPRGKRZSA-N 0 1 277.799 3.657 20 0 CHADMN CCCN(C)Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000127526664 521501435 /nfs/dbraw/zinc/50/14/35/521501435.db2.gz FHBOBOPSJBQNGT-UHFFFAOYSA-N 0 1 280.803 3.507 20 0 CHADMN CCOc1ccccc1CN[C@@H](C)c1cccc(O)c1 ZINC000037150919 521505668 /nfs/dbraw/zinc/50/56/68/521505668.db2.gz SYVOIQCTAFHDFA-ZDUSSCGKSA-N 0 1 271.360 3.642 20 0 CHADMN CCC(CC)CN(CC)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000338676259 521518254 /nfs/dbraw/zinc/51/82/54/521518254.db2.gz JBZRECCKOKEWQC-UHFFFAOYSA-N 0 1 287.407 3.770 20 0 CHADMN CCOc1ccccc1[C@@H](CC)N[C@H](C)c1cn[nH]c1 ZINC000297537871 521577270 /nfs/dbraw/zinc/57/72/70/521577270.db2.gz DWZZWCQSRCMIBD-IUODEOHRSA-N 0 1 273.380 3.610 20 0 CHADMN CCCN(CC(C)C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000265473753 521581779 /nfs/dbraw/zinc/58/17/79/521581779.db2.gz ZBCCTNHHACFDMU-UHFFFAOYSA-N 0 1 285.391 3.585 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1ccoc1C ZINC000358016237 521583458 /nfs/dbraw/zinc/58/34/58/521583458.db2.gz LZJUXMLKWGYQIH-LBPRGKRZSA-N 0 1 259.349 3.838 20 0 CHADMN CCCN(CC)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000299410896 521605485 /nfs/dbraw/zinc/60/54/85/521605485.db2.gz ZQJMWGYMIBWEAF-UHFFFAOYSA-N 0 1 282.815 3.627 20 0 CHADMN CCCN(CC)Cc1ncc(-c2ccccc2F)o1 ZINC000265996002 521615303 /nfs/dbraw/zinc/61/53/03/521615303.db2.gz LRFGBQNGJVNIHT-UHFFFAOYSA-N 0 1 262.328 3.713 20 0 CHADMN CCC[N@@H+](CCC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000236972857 521630090 /nfs/dbraw/zinc/63/00/90/521630090.db2.gz FNGPACBTUMHXKK-LBPRGKRZSA-N 0 1 275.348 3.681 20 0 CHADMN CCOCC(C)(C)NCc1csc(-c2ccsc2)n1 ZINC000292748502 521671181 /nfs/dbraw/zinc/67/11/81/521671181.db2.gz AYCUCTWCSCZITI-UHFFFAOYSA-N 0 1 296.461 3.776 20 0 CHADMN CCC1(CC)CCN(C(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC000338543783 521686618 /nfs/dbraw/zinc/68/66/18/521686618.db2.gz SEWUKFARKXSGSO-UHFFFAOYSA-N 0 1 299.418 3.914 20 0 CHADMN CCCN(Cc1ncc(C)cn1)[C@@H]1CCc2ccccc21 ZINC000340677036 521695133 /nfs/dbraw/zinc/69/51/33/521695133.db2.gz TZXWYFXTVVCRPV-QGZVFWFLSA-N 0 1 281.403 3.685 20 0 CHADMN CCSCCCNc1ccnc2cc(F)c(OC)cc21 ZINC000336951434 521705775 /nfs/dbraw/zinc/70/57/75/521705775.db2.gz QUPMAHCXCDANQE-UHFFFAOYSA-N 0 1 294.395 3.938 20 0 CHADMN COCC[C@@H](NCc1ccc(F)cc1)c1ccc(C)o1 ZINC000272224059 521858224 /nfs/dbraw/zinc/85/82/24/521858224.db2.gz FBJDBZKVLKVFRZ-OAHLLOKOSA-N 0 1 277.339 3.595 20 0 CHADMN COCC[C@@H](NCc1ccc(Cl)s1)c1ccco1 ZINC000272412078 521859116 /nfs/dbraw/zinc/85/91/16/521859116.db2.gz CBJBJMKYONRZNK-LLVKDONJSA-N 0 1 285.796 3.862 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1Cc1ncnn1-c1ccccc1 ZINC000337197055 522008905 /nfs/dbraw/zinc/00/89/05/522008905.db2.gz WVAVLPSHRVPQTB-DOTOQJQBSA-N 0 1 298.434 3.668 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2cccc(C)c2C)n[nH]1 ZINC000277547493 522052931 /nfs/dbraw/zinc/05/29/31/522052931.db2.gz ZSPYDRVNNCXWIR-SMDDNHRTSA-N 0 1 286.423 3.786 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)Nc2nc3cc(C)ccc3o2)n[nH]1 ZINC000276759604 522053998 /nfs/dbraw/zinc/05/39/98/522053998.db2.gz ACQMKCJNOSWACU-WDEREUQCSA-N 0 1 299.378 3.941 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2cc(C)ccc2F)n[nH]1 ZINC000277392973 522054337 /nfs/dbraw/zinc/05/43/37/522054337.db2.gz JSZWICLOULLDNZ-NWDGAFQWSA-N 0 1 290.386 3.617 20 0 CHADMN CC[C@H](CNCc1csc(-c2ccc(C)cc2)n1)OC ZINC000289931545 522197035 /nfs/dbraw/zinc/19/70/35/522197035.db2.gz WFGAWBHYLVVNQX-OAHLLOKOSA-N 0 1 290.432 3.633 20 0 CHADMN CCc1nc(C)c(CN[C@H]2CCCNc3ccccc32)o1 ZINC000291911990 522212528 /nfs/dbraw/zinc/21/25/28/522212528.db2.gz MUPUHUSVFHFTGD-HNNXBMFYSA-N 0 1 285.391 3.582 20 0 CHADMN COC(=O)c1coc([C@H](C)NC2(c3ccccc3)CCC2)c1 ZINC000278755783 522377547 /nfs/dbraw/zinc/37/75/47/522377547.db2.gz OEZCPEFZRNFSFR-ZDUSSCGKSA-N 0 1 299.370 3.796 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCC=Cc2ccccc2)n[nH]1 ZINC000277388733 522437733 /nfs/dbraw/zinc/43/77/33/522437733.db2.gz JIZMKICFRRCXAP-GELOPOQCSA-N 0 1 284.407 3.682 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccc(C)s2)n[nH]1 ZINC000277058248 522438799 /nfs/dbraw/zinc/43/87/99/522438799.db2.gz BKZGKLYUXXDAKI-MWLCHTKSSA-N 0 1 278.425 3.539 20 0 CHADMN CCc1ncc(CNCc2ccc3ncccc3c2)s1 ZINC000279704419 522552722 /nfs/dbraw/zinc/55/27/22/522552722.db2.gz ROVUXIOJCFVCQZ-UHFFFAOYSA-N 0 1 283.400 3.544 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(C)Cc1nc(C)c(C)o1 ZINC000128665705 522630055 /nfs/dbraw/zinc/63/00/55/522630055.db2.gz NOZSZLPXGQNCRV-INIZCTEOSA-N 0 1 272.392 3.745 20 0 CHADMN COC[C@H](N[C@@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000291166056 522763549 /nfs/dbraw/zinc/76/35/49/522763549.db2.gz JLWODEHNJSRGKP-MSOLQXFVSA-N 0 1 297.398 3.747 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC[C@H](c3ccccc3)CC2)o1 ZINC000111217454 522785794 /nfs/dbraw/zinc/78/57/94/522785794.db2.gz WRIBKGYFZFCMAZ-ZBFHGGJFSA-N 0 1 299.418 3.963 20 0 CHADMN CC[C@H](OC1CCCCC1)c1nc([C@@H](N)CC(C)C)no1 ZINC000339396786 522858798 /nfs/dbraw/zinc/85/87/98/522858798.db2.gz YWUIAJJZYYTTGS-KBPBESRZSA-N 0 1 295.427 3.916 20 0 CHADMN CCc1nocc1CN(C)[C@@H](C)c1cccc(C)c1 ZINC000293532187 522929303 /nfs/dbraw/zinc/92/93/03/522929303.db2.gz XEGINGOBVPGJIM-ZDUSSCGKSA-N 0 1 258.365 3.738 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1cccc(NC(C)=O)c1 ZINC000130125259 522966746 /nfs/dbraw/zinc/96/67/46/522966746.db2.gz SBQLEYTUVQGNNC-GOSISDBHSA-N 0 1 297.402 3.623 20 0 CHADMN COCc1ccc(CN2Cc3ccccc3O[C@H](C)C2)cc1 ZINC000339211955 522977166 /nfs/dbraw/zinc/97/71/66/522977166.db2.gz KCWJILZFNBNHEY-OAHLLOKOSA-N 0 1 297.398 3.616 20 0 CHADMN COCc1ccc(CNC(C)(C)c2cccc(F)c2)o1 ZINC000128414213 522985087 /nfs/dbraw/zinc/98/50/87/522985087.db2.gz NTSDCTOFVUQFTP-UHFFFAOYSA-N 0 1 277.339 3.590 20 0 CHADMN Cc1cccc(CN(C)C/C=C\c2ccc(F)cc2)n1 ZINC000353748736 534701096 /nfs/dbraw/zinc/70/10/96/534701096.db2.gz CYGFBRKVHHDLHD-XQRVVYSFSA-N 0 1 270.351 3.674 20 0 CHADMN CN(Cc1ccccc1Cl)CC1CCC(=O)CC1 ZINC000289393045 523364573 /nfs/dbraw/zinc/36/45/73/523364573.db2.gz RCTIAEWIUNUWCN-UHFFFAOYSA-N 0 1 265.784 3.531 20 0 CHADMN CCn1cc(CN([C@H](C)c2ccccc2)C2CC2)cn1 ZINC000271049937 523368486 /nfs/dbraw/zinc/36/84/86/523368486.db2.gz OHWPWWDUCIZNNT-CQSZACIVSA-N 0 1 269.392 3.629 20 0 CHADMN CN(Cc1cccnc1)Cc1cccc(OC(F)(F)F)c1 ZINC000127898252 523418293 /nfs/dbraw/zinc/41/82/93/523418293.db2.gz CVLUDIFLODHBQR-UHFFFAOYSA-N 0 1 296.292 3.612 20 0 CHADMN CN(Cc1cccnc1)Cc1cccc(C(F)F)c1 ZINC000279591097 523419214 /nfs/dbraw/zinc/41/92/14/523419214.db2.gz DISFPPDKNQPMTO-UHFFFAOYSA-N 0 1 262.303 3.651 20 0 CHADMN CCn1ccnc1CN1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000366367177 523534471 /nfs/dbraw/zinc/53/44/71/523534471.db2.gz DCJFEWATZSZGTE-MRXNPFEDSA-N 0 1 283.419 3.509 20 0 CHADMN CN(Cc1cscn1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297410617 523540235 /nfs/dbraw/zinc/54/02/35/523540235.db2.gz CVTRXZDAPUKRSN-CVEARBPZSA-N 0 1 272.417 3.911 20 0 CHADMN CO[C@@H]1CCCN([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000363678375 523601194 /nfs/dbraw/zinc/60/11/94/523601194.db2.gz UBBFYBPOEJVROI-QWHCGFSZSA-N 0 1 280.412 3.534 20 0 CHADMN CC[C@H](C)N(C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000157002327 523922942 /nfs/dbraw/zinc/92/29/42/523922942.db2.gz LBLOOWFUTRTWET-JTQLQIEISA-N 0 1 280.318 3.850 20 0 CHADMN CO[C@H]1CCCN([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000363678650 523973939 /nfs/dbraw/zinc/97/39/39/523973939.db2.gz UBBFYBPOEJVROI-STQMWFEESA-N 0 1 280.412 3.534 20 0 CHADMN CCc1ccc([C@@H](C)NCc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000292887807 524025984 /nfs/dbraw/zinc/02/59/84/524025984.db2.gz IWZWSHJYGGPVFH-GFCCVEGCSA-N 0 1 286.423 3.515 20 0 CHADMN CCc1ccc([C@H](C)N[C@H]2CCc3c2cccc3O)o1 ZINC000130689429 524047566 /nfs/dbraw/zinc/04/75/66/524047566.db2.gz LOCAUURGFXJHEW-NHYWBVRUSA-N 0 1 271.360 3.886 20 0 CHADMN Cc1cccc([C@@H](C)N[C@@H](c2nccn2C)C2CC2)c1C ZINC000353862241 534755998 /nfs/dbraw/zinc/75/59/98/534755998.db2.gz FXCFTWDOBOIUQT-RHSMWYFYSA-N 0 1 283.419 3.839 20 0 CHADMN COc1ccc(CNCc2ccc(Cl)s2)cc1OC ZINC000020122846 524072854 /nfs/dbraw/zinc/07/28/54/524072854.db2.gz WAJIQRCNGIHBDJ-UHFFFAOYSA-N 0 1 297.807 3.709 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccccc2F)cc1OC ZINC000020122819 524083967 /nfs/dbraw/zinc/08/39/67/524083967.db2.gz HHBRDWREHOTOMA-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccsc2)cc1F ZINC000061360552 524084167 /nfs/dbraw/zinc/08/41/67/524084167.db2.gz WDDSKRWUSACRBC-JTQLQIEISA-N 0 1 265.353 3.747 20 0 CHADMN Cc1ccc2oc(-c3nc([C@H](N)CC(C)C)no3)cc2c1 ZINC000339396619 524086905 /nfs/dbraw/zinc/08/69/05/524086905.db2.gz YCAQVJZWENZQRG-GFCCVEGCSA-N 0 1 285.347 3.837 20 0 CHADMN COc1ccc(CN[C@H](C)c2cccc(C)c2)c(OC)c1 ZINC000104151762 524088748 /nfs/dbraw/zinc/08/87/48/524088748.db2.gz FLWIHIBNTNBCBU-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN C[C@H]1CCCN1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000353611264 524119941 /nfs/dbraw/zinc/11/99/41/524119941.db2.gz BNIUJFINQMYXCY-VIFPVBQESA-N 0 1 261.262 3.829 20 0 CHADMN C[C@H]1CCC[C@@H](NC(=O)c2sccc2CN(C)C)CC1 ZINC000277072333 524150210 /nfs/dbraw/zinc/15/02/10/524150210.db2.gz IXCSBAQOANDFQP-GXTWGEPZSA-N 0 1 294.464 3.508 20 0 CHADMN COc1cccc([C@H]2CCCN2Cc2cnc(C)s2)c1 ZINC000098132204 524178411 /nfs/dbraw/zinc/17/84/11/524178411.db2.gz IRONDQGYFVBAIJ-MRXNPFEDSA-N 0 1 288.416 3.797 20 0 CHADMN C[C@H](CCN1CCOC[C@@H]1CC(F)F)c1ccccc1 ZINC000289963229 524179388 /nfs/dbraw/zinc/17/93/88/524179388.db2.gz ZDWQPNPLZOPQRA-HIFRSBDPSA-N 0 1 283.362 3.536 20 0 CHADMN C[C@H]1CCN(Cc2cnc(-c3ccco3)s2)CCS1 ZINC000278541741 524296997 /nfs/dbraw/zinc/29/69/97/524296997.db2.gz CPNCBSHLNGLRET-NSHDSACASA-N 0 1 294.445 3.731 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)N[C@H](C)c1cccc(O)c1 ZINC000037089962 524330387 /nfs/dbraw/zinc/33/03/87/524330387.db2.gz PRXBJEPIWFTNMQ-VXGBXAGGSA-N 0 1 289.350 3.952 20 0 CHADMN Cc1cccc(CN(C)CCSC2CCCCC2)n1 ZINC000337327012 524375239 /nfs/dbraw/zinc/37/52/39/524375239.db2.gz WUXIFUIVDVHAOR-UHFFFAOYSA-N 0 1 278.465 3.888 20 0 CHADMN COc1ccccc1CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000019903253 524491264 /nfs/dbraw/zinc/49/12/64/524491264.db2.gz MASMRLWIHUVGNY-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN C[C@@H]1CCN(Cc2csc(C3CC3)n2)C[C@@H](C)C1 ZINC000340172540 524515684 /nfs/dbraw/zinc/51/56/84/524515684.db2.gz BKXPIYRDMYBRID-NEPJUHHUSA-N 0 1 264.438 3.889 20 0 CHADMN C[C@H](CO)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000037258489 524566811 /nfs/dbraw/zinc/56/68/11/524566811.db2.gz YEUPWOOQUQUMKW-RQJHMYQMSA-N 0 1 282.598 3.678 20 0 CHADMN C[C@@H](CN(C)Cc1ncc(C2CC2)o1)c1ccccc1 ZINC000340816901 524578104 /nfs/dbraw/zinc/57/81/04/524578104.db2.gz KUPYJTNDUUXLMB-ZDUSSCGKSA-N 0 1 270.376 3.788 20 0 CHADMN Cc1cc(C)[nH+]c(NCc2cccc([O-])c2Cl)c1 ZINC000339313328 524587980 /nfs/dbraw/zinc/58/79/80/524587980.db2.gz BCDMLEKAKYCYQJ-UHFFFAOYSA-N 0 1 262.740 3.670 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cnc3ccsc3c2)cn1 ZINC000068692001 524593221 /nfs/dbraw/zinc/59/32/21/524593221.db2.gz VSWMQLBKOHJCIQ-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cnn(C3CCCC3)c2)cn1 ZINC000337499858 524593925 /nfs/dbraw/zinc/59/39/25/524593925.db2.gz ZYWMSONVGOYHQF-AWEZNQCLSA-N 0 1 284.407 3.552 20 0 CHADMN Cc1ccc(CN[C@@H]2CCSc3c(F)cccc32)cn1 ZINC000062051343 524599926 /nfs/dbraw/zinc/59/99/26/524599926.db2.gz WPJQPEBHEFYELS-OAHLLOKOSA-N 0 1 288.391 3.856 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(Cl)s2)cn1 ZINC000062051214 524605614 /nfs/dbraw/zinc/60/56/14/524605614.db2.gz HMRFYTZAXBZWDP-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1cc(CN[C@H]2CCCCc3ccccc32)on1 ZINC000044985671 524783462 /nfs/dbraw/zinc/78/34/62/524783462.db2.gz DXQXCNPDHKBXKT-INIZCTEOSA-N 0 1 256.349 3.540 20 0 CHADMN COc1ccncc1CN[C@H]1CCCCc2ccccc21 ZINC000292323465 524858527 /nfs/dbraw/zinc/85/85/27/524858527.db2.gz CAUYWMJVSFQNND-KRWDZBQOSA-N 0 1 282.387 3.648 20 0 CHADMN COc1ccsc1CNC(C)(C)c1ccccc1F ZINC000291746837 524879758 /nfs/dbraw/zinc/87/97/58/524879758.db2.gz PRAVITDMNOEBMY-UHFFFAOYSA-N 0 1 279.380 3.921 20 0 CHADMN COc1cncc(CN[C@@H](C)c2cc(C)sc2C)c1 ZINC000289976551 524922436 /nfs/dbraw/zinc/92/24/36/524922436.db2.gz QIGBBORZBYSBHI-NSHDSACASA-N 0 1 276.405 3.619 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@@H]1CCC(F)(F)C1 ZINC000336077344 534821342 /nfs/dbraw/zinc/82/13/42/534821342.db2.gz QUEPDCGLZHMBAL-ZCFIWIBFSA-N 0 1 293.672 3.559 20 0 CHADMN COc1ncccc1CN[C@@H]1CCc2cc(Cl)ccc21 ZINC000130015992 525062049 /nfs/dbraw/zinc/06/20/49/525062049.db2.gz MOKJBPKLLXJDAX-OAHLLOKOSA-N 0 1 288.778 3.521 20 0 CHADMN C[C@H]1SCCN(Cc2ccncc2)[C@@H]1c1ccccc1 ZINC000130633062 525075792 /nfs/dbraw/zinc/07/57/92/525075792.db2.gz DXROGWYIYOQUIK-PBHICJAKSA-N 0 1 284.428 3.760 20 0 CHADMN C[C@@H]1CSCCN1Cc1cccc(C(F)F)c1 ZINC000279800048 525171358 /nfs/dbraw/zinc/17/13/58/525171358.db2.gz WGZRLAIQEDPMJO-SNVBAGLBSA-N 0 1 257.349 3.562 20 0 CHADMN C[C@]12CCN(C/C=C/c3ccc(F)c(F)c3)C[C@H]1C2(F)F ZINC000292895099 525347293 /nfs/dbraw/zinc/34/72/93/525347293.db2.gz ZKGPEOAKGJOVCU-ZHAXYTGKSA-N 0 1 299.311 3.955 20 0 CHADMN Cc1ccc(O)c(CN[C@H](C)c2ccccc2Cl)n1 ZINC000103340652 525355315 /nfs/dbraw/zinc/35/53/15/525355315.db2.gz GHTHXVUAMNNXIA-LLVKDONJSA-N 0 1 276.767 3.600 20 0 CHADMN C[C@H](NCCOCc1ccccc1)c1ccc(Cl)cn1 ZINC000274970321 525356773 /nfs/dbraw/zinc/35/67/73/525356773.db2.gz XZKAHSYWFKRWFX-ZDUSSCGKSA-N 0 1 290.794 3.602 20 0 CHADMN CSCCCN(C)c1ccnc2cc(F)ccc21 ZINC000357680296 525443610 /nfs/dbraw/zinc/44/36/10/525443610.db2.gz LRKBXWVCUQNESY-UHFFFAOYSA-N 0 1 264.369 3.563 20 0 CHADMN C[C@H](NCc1ccc(OC(F)F)c(F)c1)c1ccccn1 ZINC000270021080 525447235 /nfs/dbraw/zinc/44/72/35/525447235.db2.gz WOVUIKWKPANAHQ-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN Cc1cc([C@@H](C)NCCCO[C@@H](C)c2ccccc2)no1 ZINC000289701678 525462204 /nfs/dbraw/zinc/46/22/04/525462204.db2.gz KJOQFLAWMFXQIU-CABCVRRESA-N 0 1 288.391 3.802 20 0 CHADMN C[C@H](NCc1cccnc1N)c1cccc(C(F)(F)F)c1 ZINC000269365805 525468909 /nfs/dbraw/zinc/46/89/09/525468909.db2.gz OBBAPGHDRIKQNR-JTQLQIEISA-N 0 1 295.308 3.533 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](CO)c2ccc(F)cc2)cs1 ZINC000296913332 525474966 /nfs/dbraw/zinc/47/49/66/525474966.db2.gz PJWBTTZOYDBEAE-IAQYHMDHSA-N 0 1 279.380 3.580 20 0 CHADMN C[C@H](NCc1cncc(F)c1)c1cccc(OC(F)F)c1 ZINC000275205557 525477832 /nfs/dbraw/zinc/47/78/32/525477832.db2.gz RFMUDDRNZNITQF-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN C[C@H](NCc1coc2ccccc12)c1cncs1 ZINC000340427236 525484167 /nfs/dbraw/zinc/48/41/67/525484167.db2.gz PECURQGNCXSEOB-JTQLQIEISA-N 0 1 258.346 3.740 20 0 CHADMN Cc1cccnc1CN(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291159742 525509328 /nfs/dbraw/zinc/50/93/28/525509328.db2.gz CGHRBMWATMJYDS-OCCSQVGLSA-N 0 1 286.341 3.943 20 0 CHADMN Cc1c(-c2nc([C@@H](N)CC(C)C)no2)cnc2ccccc12 ZINC000339365402 525512310 /nfs/dbraw/zinc/51/23/10/525512310.db2.gz VGRVBFMFGQGLRZ-AWEZNQCLSA-N 0 1 296.374 3.639 20 0 CHADMN Cc1cc([C@H](C)NCc2ccnn2C(C)C)ccc1F ZINC000280278528 525522124 /nfs/dbraw/zinc/52/21/24/525522124.db2.gz MODWHWZLEIBZPR-ZDUSSCGKSA-N 0 1 275.371 3.762 20 0 CHADMN Cc1cccnc1CNCc1ccc2c(c1)CCCC2 ZINC000292019568 525523712 /nfs/dbraw/zinc/52/37/12/525523712.db2.gz WVBGHLJBKOEPKB-UHFFFAOYSA-N 0 1 266.388 3.559 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2N[C@H](C)c1nccnc1C ZINC000275660232 525524170 /nfs/dbraw/zinc/52/41/70/525524170.db2.gz BDCHUNZDGNICMX-CXAGYDPISA-N 0 1 297.402 3.522 20 0 CHADMN C[C@@H](NCc1cccc(N(C)C)n1)c1ccc(Cl)s1 ZINC000130484852 525535926 /nfs/dbraw/zinc/53/59/26/525535926.db2.gz IQDSOZIVAPIWEU-SNVBAGLBSA-N 0 1 295.839 3.713 20 0 CHADMN C[C@@H](NCc1cccs1)c1nc2c(s1)CCCC2 ZINC000130209040 525542912 /nfs/dbraw/zinc/54/29/12/525542912.db2.gz JBAIHHYLHSNLDK-SNVBAGLBSA-N 0 1 278.446 3.934 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000271415270 525543040 /nfs/dbraw/zinc/54/30/40/525543040.db2.gz ASALBETUNNOIJM-ZBEGNZNMSA-N 0 1 293.769 3.863 20 0 CHADMN C[C@@H](NCc1n[nH]c(C(C)(C)C)n1)c1cc2ccccc2o1 ZINC000292801231 525556546 /nfs/dbraw/zinc/55/65/46/525556546.db2.gz BNHZGANLWXLRKP-LLVKDONJSA-N 0 1 298.390 3.699 20 0 CHADMN COc1ccc2c(c1)OCC[C@H]2N[C@@H](C)c1cccc(O)c1 ZINC000369106556 525559626 /nfs/dbraw/zinc/55/96/26/525559626.db2.gz JPBFVRLQULXIPP-YVEFUNNKSA-N 0 1 299.370 3.575 20 0 CHADMN C[C@H](N[C@H](c1cnn(C)c1)c1ccccc1)c1cccs1 ZINC000366675392 525600890 /nfs/dbraw/zinc/60/08/90/525600890.db2.gz HSQKHSWLOYFLEG-GUYCJALGSA-N 0 1 297.427 3.922 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1cc2ccccc2o1 ZINC000280186679 525641474 /nfs/dbraw/zinc/64/14/74/525641474.db2.gz RXUNALUOVLEFJI-IUODEOHRSA-N 0 1 295.386 3.895 20 0 CHADMN C[C@@H](N[C@H](C)c1ccncc1F)c1ccc2n[nH]cc2c1 ZINC000340397904 525664968 /nfs/dbraw/zinc/66/49/68/525664968.db2.gz VEOMBUBKLHLUQL-GHMZBOCLSA-N 0 1 284.338 3.509 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c1cnn2C)c1ccccc1Cl ZINC000037051720 525681869 /nfs/dbraw/zinc/68/18/69/525681869.db2.gz SUXBYZYGPJYFQG-ABAIWWIYSA-N 0 1 289.810 3.802 20 0 CHADMN C[C@@H](N[C@H]1C[C@H](c2ccccc2)C1)c1cscn1 ZINC000280871284 525695292 /nfs/dbraw/zinc/69/52/92/525695292.db2.gz OFGQNPPUCCZLMX-MRVWCRGKSA-N 0 1 258.390 3.740 20 0 CHADMN Cc1c(CN[C@@H](CCC(C)C)c2ccoc2)cnn1C ZINC000278943956 525729109 /nfs/dbraw/zinc/72/91/09/525729109.db2.gz MJRIEUYNVDENFI-INIZCTEOSA-N 0 1 275.396 3.589 20 0 CHADMN Cc1ccncc1CN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000353653082 525743161 /nfs/dbraw/zinc/74/31/61/525743161.db2.gz SETZGWBYTUXPBM-CZUORRHYSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1ccc(Cl)s1 ZINC000356306445 525764550 /nfs/dbraw/zinc/76/45/50/525764550.db2.gz LEVFPSXGQDQFJK-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1ccc([C@@H](N)C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000228074502 525764463 /nfs/dbraw/zinc/76/44/63/525764463.db2.gz FQGWMAGGFQMZMT-QGZVFWFLSA-N 0 1 282.387 3.757 20 0 CHADMN Cc1ccc([C@@H](N[C@H]2CCCSC2)c2ccccn2)cc1 ZINC000279721267 525775357 /nfs/dbraw/zinc/77/53/57/525775357.db2.gz UREQURIBSONVFI-FUHWJXTLSA-N 0 1 298.455 3.965 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C3=CCCCC3)c2C)o1 ZINC000291264012 525791200 /nfs/dbraw/zinc/79/12/00/525791200.db2.gz KZYQHTBETZBBKL-UHFFFAOYSA-N 0 1 285.347 3.725 20 0 CHADMN Cc1ccoc1CNC1(c2ccc(F)cc2)CCOCC1 ZINC000266209797 525805790 /nfs/dbraw/zinc/80/57/90/525805790.db2.gz NSGKUIPTOGLZRP-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN Cc1ccoc1CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000266245505 525808293 /nfs/dbraw/zinc/80/82/93/525808293.db2.gz YNNZLWWJWVJQRJ-GOSISDBHSA-N 0 1 299.370 3.600 20 0 CHADMN Cc1ccc(-c2nnc(CN3CCC(C)(C)CC3)o2)cc1 ZINC000339257586 525844985 /nfs/dbraw/zinc/84/49/85/525844985.db2.gz XOWVXIDQFQCTSA-UHFFFAOYSA-N 0 1 285.391 3.667 20 0 CHADMN COc1cccc(C2(N[C@@H]3CCCc4occc43)CC2)c1 ZINC000278735761 525851175 /nfs/dbraw/zinc/85/11/75/525851175.db2.gz NBWFTQQFJAHNKO-MRXNPFEDSA-N 0 1 283.371 3.945 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)N(Cc3nnc(C(C)C)o3)C2)cc1 ZINC000278373557 525853864 /nfs/dbraw/zinc/85/38/64/525853864.db2.gz CCUMQZVTXJAQJP-GOEBONIOSA-N 0 1 299.418 3.879 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2nccnc2C)cc1C ZINC000275887903 525935735 /nfs/dbraw/zinc/93/57/35/525935735.db2.gz QIMOEMKCPVOBGO-ZFWWWQNUSA-N 0 1 269.392 3.814 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2nccnc2C)cc1 ZINC000187798883 525938104 /nfs/dbraw/zinc/93/81/04/525938104.db2.gz AGKXUTVKBXLOCE-JSGCOSHPSA-N 0 1 255.365 3.505 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2nccnc2C)cc1C ZINC000275887894 525943592 /nfs/dbraw/zinc/94/35/92/525943592.db2.gz QIMOEMKCPVOBGO-DZGCQCFKSA-N 0 1 269.392 3.814 20 0 CHADMN C[C@H](Sc1nc(-c2ccccc2)n[nH]1)c1cccnc1 ZINC000338588356 526000754 /nfs/dbraw/zinc/00/07/54/526000754.db2.gz AMUYCUYKKHZKEI-NSHDSACASA-N 0 1 282.372 3.720 20 0 CHADMN Cc1cnc(CN(C)[C@H](C)Cc2ccc(Cl)cc2)nc1 ZINC000340848431 526007434 /nfs/dbraw/zinc/00/74/34/526007434.db2.gz RQNTXYXMENKLNJ-CYBMUJFWSA-N 0 1 289.810 3.501 20 0 CHADMN CSc1ccc(Cl)cc1NCc1[nH]ncc1C ZINC000289556749 526015477 /nfs/dbraw/zinc/01/54/77/526015477.db2.gz QNTWXGXASOYUQL-UHFFFAOYSA-N 0 1 267.785 3.706 20 0 CHADMN C[C@@H](c1cc(Cl)ccc1Cl)N(C)CCCCO ZINC000264029931 526027213 /nfs/dbraw/zinc/02/72/13/526027213.db2.gz ZQTTVMCWXOUWRY-JTQLQIEISA-N 0 1 276.207 3.759 20 0 CHADMN C[C@@H](c1cc(Cl)ccc1Cl)N1CCC[C@H](O)CC1 ZINC000293079807 526028117 /nfs/dbraw/zinc/02/81/17/526028117.db2.gz JOYNARMETVNUGQ-JQWIXIFHSA-N 0 1 288.218 3.901 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](CC(C)C)c1ccccc1 ZINC000289410286 526028784 /nfs/dbraw/zinc/02/87/84/526028784.db2.gz AEEYLTIWZGYZHS-HNNXBMFYSA-N 0 1 257.381 3.595 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cc(C)ccc2OC)c1 ZINC000035015162 526031665 /nfs/dbraw/zinc/03/16/65/526031665.db2.gz UIMFYNPILUTTPJ-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cc(F)cc(F)c2)c1 ZINC000094826959 526032413 /nfs/dbraw/zinc/03/24/13/526032413.db2.gz SDTCCSKMLOHHKC-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN COc1cccc(CN[C@@H](c2ccccc2)C(C)(C)C)n1 ZINC000226752694 526032624 /nfs/dbraw/zinc/03/26/24/526032624.db2.gz CDWRJZSUNCHQOH-KRWDZBQOSA-N 0 1 284.403 3.967 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)N(Cc3nc(C4CC4)no3)C2)cc1 ZINC000278390389 526033906 /nfs/dbraw/zinc/03/39/06/526033906.db2.gz DTHLHBMZFXGKDZ-CJNGLKHVSA-N 0 1 297.402 3.633 20 0 CHADMN Cc1cn[nH]c1CN[C@H](C)c1cccc(Cl)c1Cl ZINC000289433196 526033853 /nfs/dbraw/zinc/03/38/53/526033853.db2.gz DZYKCQPYNZGUEU-SECBINFHSA-N 0 1 284.190 3.876 20 0 CHADMN Cc1cn[nH]c1CNc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000289457337 526036033 /nfs/dbraw/zinc/03/60/33/526036033.db2.gz HQKQCJVQGFRXNU-UHFFFAOYSA-N 0 1 299.374 3.762 20 0 CHADMN Cc1cnc(CN[C@H]2c3ccccc3CCC[C@@H]2C)n1C ZINC000341382262 526047965 /nfs/dbraw/zinc/04/79/65/526047965.db2.gz DBNDMFAXYXAMJA-SCLBCKFNSA-N 0 1 283.419 3.532 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)N(C)Cc1ccc(CO)o1 ZINC000130365120 526070175 /nfs/dbraw/zinc/07/01/75/526070175.db2.gz UERSCEHLZWETFR-NSHDSACASA-N 0 1 279.767 3.618 20 0 CHADMN C[C@H](c1cccc(Cl)c1)N(C)Cc1ccncc1 ZINC000130258867 526076369 /nfs/dbraw/zinc/07/63/69/526076369.db2.gz FXSQZUQHMWWJCQ-GFCCVEGCSA-N 0 1 260.768 3.928 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N(C)CC1CCC1 ZINC000111298682 526162899 /nfs/dbraw/zinc/16/28/99/526162899.db2.gz LSBAWXJBXUTRRA-JTQLQIEISA-N 0 1 277.393 3.591 20 0 CHADMN CSc1ccccc1NC(=O)c1cccc2nc(C)[nH]c21 ZINC000338501392 526176836 /nfs/dbraw/zinc/17/68/36/526176836.db2.gz MOXHAQFNSDCISC-UHFFFAOYSA-N 0 1 297.383 3.846 20 0 CHADMN C[C@H](c1nnc(-c2ccccc2)o1)N1CCC(C)(C)CC1 ZINC000339258631 526186965 /nfs/dbraw/zinc/18/69/65/526186965.db2.gz KDWJLGLBZCIOPR-CYBMUJFWSA-N 0 1 285.391 3.920 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cn3ccsc3n1)[C@H](C)C2 ZINC000272390329 526209600 /nfs/dbraw/zinc/20/96/00/526209600.db2.gz IVPMAJWCZVMSCA-MLGOLLRUSA-N 0 1 297.427 3.727 20 0 CHADMN C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000055391279 526255788 /nfs/dbraw/zinc/25/57/88/526255788.db2.gz LRJOMRCKFXBORV-GWCFXTLKSA-N 0 1 281.783 3.696 20 0 CHADMN Oc1ccc(-c2nc([C@@H]3CCCS3)no2)cc1Cl ZINC000161646033 526337698 /nfs/dbraw/zinc/33/76/98/526337698.db2.gz DVUAXGSFXCBFSY-JTQLQIEISA-N 0 1 282.752 3.664 20 0 CHADMN Fc1ccc(N[C@@H](c2nnc[nH]2)C2CCCCC2)cc1F ZINC000292082476 526355311 /nfs/dbraw/zinc/35/53/11/526355311.db2.gz IFWODBZMLIXCQC-CQSZACIVSA-N 0 1 292.333 3.816 20 0 CHADMN [O-]c1cccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1Cl ZINC000293303905 526361161 /nfs/dbraw/zinc/36/11/61/526361161.db2.gz PTLNVBUNKUYOLH-CYBMUJFWSA-N 0 1 295.810 3.627 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cn3ccccc3n1)CCC2 ZINC000279638929 526372140 /nfs/dbraw/zinc/37/21/40/526372140.db2.gz CTQBUZDISCSUOS-KRWDZBQOSA-N 0 1 295.361 3.641 20 0 CHADMN Cc1csc([C@H](C)C[NH2+]Cc2cccc([O-])c2Cl)n1 ZINC000293169069 526431502 /nfs/dbraw/zinc/43/15/02/526431502.db2.gz GKKMGTVMVLJBCF-SECBINFHSA-N 0 1 296.823 3.704 20 0 CHADMN Cc1noc(C(C)C)c1C(=O)Nc1cc2cn[nH]c2cc1C ZINC000276859010 526465221 /nfs/dbraw/zinc/46/52/21/526465221.db2.gz ZQUMXYFQTLZCJX-UHFFFAOYSA-N 0 1 298.346 3.543 20 0 CHADMN c1ccc2c(c1)CC[C@@H]2NCc1ccc2c(n1)CCCC2 ZINC000278170418 526504893 /nfs/dbraw/zinc/50/48/93/526504893.db2.gz AYKAPWWJAIYNEP-IBGZPJMESA-N 0 1 278.399 3.738 20 0 CHADMN c1ccc2ncc(CSc3nc(C4CC4)n[nH]3)cc2c1 ZINC000281063503 526520896 /nfs/dbraw/zinc/52/08/96/526520896.db2.gz RZAHLSYOUJPJIL-UHFFFAOYSA-N 0 1 282.372 3.523 20 0 CHADMN c1ccc2ncc(CSc3n[nH]c(C4CC4)n3)cc2c1 ZINC000281063503 526520901 /nfs/dbraw/zinc/52/09/01/526520901.db2.gz RZAHLSYOUJPJIL-UHFFFAOYSA-N 0 1 282.372 3.523 20 0 CHADMN Cc1[nH]ncc1CNc1ccc(OC(F)F)c(Cl)c1 ZINC000036901558 526556011 /nfs/dbraw/zinc/55/60/11/526556011.db2.gz KOUCVOIJJCGCLB-UHFFFAOYSA-N 0 1 287.697 3.585 20 0 CHADMN c1ncc(CN2CCCCC[C@@H]2c2ccncc2)s1 ZINC000157004480 526610971 /nfs/dbraw/zinc/61/09/71/526610971.db2.gz RJRXAUWYVRGGCI-OAHLLOKOSA-N 0 1 273.405 3.655 20 0 CHADMN c1snnc1CN1C[C@@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000275350786 526635509 /nfs/dbraw/zinc/63/55/09/526635509.db2.gz ZBMDJPWUGXCEGP-ULQDDVLXSA-N 0 1 299.443 3.696 20 0 CHADMN Cc1noc([C@H]2CCCCN2C[C@@H](C)Cc2ccccc2)n1 ZINC000289743092 526666177 /nfs/dbraw/zinc/66/61/77/526666177.db2.gz IPFHWLUUOCQOKL-WMLDXEAASA-N 0 1 299.418 3.784 20 0 CHADMN CC(C)(C)[C@@H]1CN(C(=O)c2coc(CN)c2)c2ccccc21 ZINC000335030796 526676506 /nfs/dbraw/zinc/67/65/06/526676506.db2.gz SDXHKUMCWNXMNE-OAHLLOKOSA-N 0 1 298.386 3.528 20 0 CHADMN Cc1nocc1CN[C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000339378774 526697507 /nfs/dbraw/zinc/69/75/07/526697507.db2.gz PNTYYRKUVJEYBP-IRXDYDNUSA-N 0 1 270.376 3.957 20 0 CHADMN Cc1nocc1CN[C@H](c1ccccc1C)C1CC1 ZINC000293719206 526698532 /nfs/dbraw/zinc/69/85/32/526698532.db2.gz YISNMVLXCHQVDY-INIZCTEOSA-N 0 1 256.349 3.532 20 0 CHADMN Cc1nc(C)c(CN[C@H](C)c2ccccc2F)s1 ZINC000080692740 526725880 /nfs/dbraw/zinc/72/58/80/526725880.db2.gz VZJMKGVJLGAFTP-SECBINFHSA-N 0 1 264.369 3.750 20 0 CHADMN Cc1nc(CCNCc2ncc(C(C)(C)C)s2)cs1 ZINC000279201914 526825995 /nfs/dbraw/zinc/82/59/95/526825995.db2.gz VCAUGMFGXBHFFS-UHFFFAOYSA-N 0 1 295.477 3.538 20 0 CHADMN Clc1cc2c(s1)CCC[C@@H]2NCc1ccncc1 ZINC000127431910 526930458 /nfs/dbraw/zinc/93/04/58/526930458.db2.gz ZQYYWYWFWMZEFB-LBPRGKRZSA-N 0 1 278.808 3.964 20 0 CHADMN Cc1nc(F)ccc1CN1CCC[C@@H](Nc2ccccc2)C1 ZINC000278374766 526944997 /nfs/dbraw/zinc/94/49/97/526944997.db2.gz CFRLIEBUYGYPAY-QGZVFWFLSA-N 0 1 299.393 3.606 20 0 CHADMN Cc1nc(F)ccc1CNC(C)(C)c1ccccc1F ZINC000291654831 526946926 /nfs/dbraw/zinc/94/69/26/526946926.db2.gz DGXSPDFUQHQFKO-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN Clc1ccc([C@H](NCc2ncc[nH]2)C2CCC2)cc1 ZINC000066594214 526963138 /nfs/dbraw/zinc/96/31/38/526963138.db2.gz XNLCVZIPWLVHJZ-OAHLLOKOSA-N 0 1 275.783 3.694 20 0 CHADMN Clc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCCc2c[nH]nc21 ZINC000271463160 526966121 /nfs/dbraw/zinc/96/61/21/526966121.db2.gz GKDSCZWXTOBJMO-LSDHHAIUSA-N 0 1 287.794 3.718 20 0 CHADMN Clc1ncccc1CNC[C@@H]1CCC2(CCCCC2)O1 ZINC000276578419 527010809 /nfs/dbraw/zinc/01/08/09/527010809.db2.gz ARSGRGVIICFOGC-AWEZNQCLSA-N 0 1 294.826 3.707 20 0 CHADMN Cn1c2ccccc2nc1[C@@H](NCCCF)c1ccccc1 ZINC000126066073 527116691 /nfs/dbraw/zinc/11/66/91/527116691.db2.gz USXKCTURVPRDRY-KRWDZBQOSA-N 0 1 297.377 3.612 20 0 CHADMN CC(=O)[C@@H](Sc1nnc(C(C)(C)C)[nH]1)c1ccccc1 ZINC000353717022 527131452 /nfs/dbraw/zinc/13/14/52/527131452.db2.gz XYWXQLUFYUYHEM-GFCCVEGCSA-N 0 1 289.404 3.525 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@@H]3CCCC[C@H]32)[nH]1 ZINC000338500044 527152344 /nfs/dbraw/zinc/15/23/44/527152344.db2.gz CZZZCKYEVMDBPF-XJKSGUPXSA-N 0 1 297.402 3.666 20 0 CHADMN Cc1ncc(C(=O)N2CCCCC[C@H]2c2cccc(C)c2)[nH]1 ZINC000339226237 527227523 /nfs/dbraw/zinc/22/75/23/527227523.db2.gz CFJSZGHDMIWIQX-KRWDZBQOSA-N 0 1 297.402 3.784 20 0 CHADMN Cc1ncc(CN(C)[C@H](C)c2cccc(C)c2)s1 ZINC000072578521 527251642 /nfs/dbraw/zinc/25/16/42/527251642.db2.gz PMOMDXHEIQFRFF-GFCCVEGCSA-N 0 1 260.406 3.953 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2ccccc2C(F)(F)F)cn1 ZINC000340420177 527275453 /nfs/dbraw/zinc/27/54/53/527275453.db2.gz LSSBJURABAGONG-JTQLQIEISA-N 0 1 295.308 3.655 20 0 CHADMN Cc1nccc(N(C)[C@H](CCO)c2ccccc2)c1Cl ZINC000354022759 527343626 /nfs/dbraw/zinc/34/36/26/527343626.db2.gz SXABJYGRHSCWHU-CQSZACIVSA-N 0 1 290.794 3.603 20 0 CHADMN Cn1ccc([C@@H](NC2CCCCC2)c2ccc(F)cc2)n1 ZINC000366694385 527371700 /nfs/dbraw/zinc/37/17/00/527371700.db2.gz JCVJQWYPVQYBLD-KRWDZBQOSA-N 0 1 287.382 3.571 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H]1CCCc2ccc(F)cc21 ZINC000280894845 527454462 /nfs/dbraw/zinc/45/44/62/527454462.db2.gz FJJAFTCDIWADLK-MLGOLLRUSA-N 0 1 285.366 3.652 20 0 CHADMN Cn1ccnc1[C@@H](N[C@@H]1CCCc2ccc(F)cc21)C1CC1 ZINC000281004215 527454677 /nfs/dbraw/zinc/45/46/77/527454677.db2.gz NTZUWTXTPQBAQN-SJORKVTESA-N 0 1 299.393 3.678 20 0 CHADMN Cn1ccnc1[C@H](NCc1ccc2sccc2c1)C1CC1 ZINC000289595527 527464524 /nfs/dbraw/zinc/46/45/24/527464524.db2.gz CGOWHNKKXSXTLV-MRXNPFEDSA-N 0 1 297.427 3.876 20 0 CHADMN Cc1ncsc1CNCc1cccc(Br)c1 ZINC000070836422 527511470 /nfs/dbraw/zinc/51/14/70/527511470.db2.gz SEMRBZRXBDYFAZ-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN Cc1ncsc1CN[C@H]1CCCc2c(F)cc(F)cc21 ZINC000296062693 527513861 /nfs/dbraw/zinc/51/38/61/527513861.db2.gz PJDWNSMMEHVYLV-AWEZNQCLSA-N 0 1 294.370 3.897 20 0 CHADMN OC[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000062999122 527582075 /nfs/dbraw/zinc/58/20/75/527582075.db2.gz FOZNBIXLWQIFME-OAHLLOKOSA-N 0 1 295.304 3.529 20 0 CHADMN FC(F)(F)[C@@H](CCNCc1cocn1)c1ccccc1 ZINC000339421802 527676348 /nfs/dbraw/zinc/67/63/48/527676348.db2.gz QMMHXHJIAILOPG-ZDUSSCGKSA-N 0 1 284.281 3.500 20 0 CHADMN Cc1nn(C)cc1CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000130823676 527691648 /nfs/dbraw/zinc/69/16/48/527691648.db2.gz FCSDWYJGJFGRPK-GFCCVEGCSA-N 0 1 277.799 3.575 20 0 CHADMN FC(F)[C@H](CCc1ccccc1)NC[C@@H]1CCSC1 ZINC000280079805 527698021 /nfs/dbraw/zinc/69/80/21/527698021.db2.gz MUPLBUXVZMBBOX-KBPBESRZSA-N 0 1 285.403 3.596 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000087407869 527699952 /nfs/dbraw/zinc/69/99/52/527699952.db2.gz QPUAYKOIULTNRV-WPRPVWTQSA-N 0 1 283.828 3.855 20 0 CHADMN CC(C)CC[C@H](NC[C@](C)(O)C(F)(F)F)c1ccoc1 ZINC000353618918 527848656 /nfs/dbraw/zinc/84/86/56/527848656.db2.gz HCEYPXDCCGADLR-STQMWFEESA-N 0 1 293.329 3.660 20 0 CHADMN CC1(C2CC2)CCN(Cc2nccn2-c2ccccc2)CC1 ZINC000352200043 527905538 /nfs/dbraw/zinc/90/55/38/527905538.db2.gz HMVUJUMJMKMRPI-UHFFFAOYSA-N 0 1 295.430 3.884 20 0 CHADMN CC1=C[C@@H](C)C[C@@H](CN(C)Cc2cscn2)C1 ZINC000356082406 528134275 /nfs/dbraw/zinc/13/42/75/528134275.db2.gz HOWOBPRIDHSXGL-DGCLKSJQSA-N 0 1 250.411 3.567 20 0 CHADMN CCCN(Cc1ccc(F)cc1)Cc1ccc(F)cn1 ZINC000346240458 528139102 /nfs/dbraw/zinc/13/91/02/528139102.db2.gz MLKLKSMOZCFGEL-UHFFFAOYSA-N 0 1 276.330 3.772 20 0 CHADMN CCO[C@H]1C[C@H](NCc2nc(C)sc2C)C1(CC)CC ZINC000344296353 528144856 /nfs/dbraw/zinc/14/48/56/528144856.db2.gz LSERIKABMUDSQR-GJZGRUSLSA-N 0 1 296.480 3.833 20 0 CHADMN CCCN(Cc1ccccc1)Cc1cncc(F)c1 ZINC000344692047 528145680 /nfs/dbraw/zinc/14/56/80/528145680.db2.gz PQJBMSBGYUUGOC-UHFFFAOYSA-N 0 1 258.340 3.633 20 0 CHADMN CC(C)c1ccccc1N(C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000336509096 528189880 /nfs/dbraw/zinc/18/98/80/528189880.db2.gz YIIGXYGOSRJOER-CQSZACIVSA-N 0 1 297.402 3.616 20 0 CHADMN CC1CCN(Cc2cscc2Br)CC1 ZINC000347674118 528257302 /nfs/dbraw/zinc/25/73/02/528257302.db2.gz MWHDXSQUILDFMD-UHFFFAOYSA-N 0 1 274.227 3.743 20 0 CHADMN CCN(CC)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000352590712 528263174 /nfs/dbraw/zinc/26/31/74/528263174.db2.gz PNUDLHCBJAOGSV-CYBMUJFWSA-N 0 1 270.376 3.509 20 0 CHADMN CC(C)c1nn(-c2ccccc2)cc1CNCc1cc[nH]c1 ZINC000344957496 528387810 /nfs/dbraw/zinc/38/78/10/528387810.db2.gz AQYMYASIGAKCNE-UHFFFAOYSA-N 0 1 294.402 3.614 20 0 CHADMN CC(C)[C@@H]1C[C@H](N[C@@H](C)c2ccc(=O)[nH]n2)c2ccccc21 ZINC000353590377 528787368 /nfs/dbraw/zinc/78/73/68/528787368.db2.gz UBKOUGFSYLBHLX-NUTKFTJISA-N 0 1 297.402 3.717 20 0 CHADMN CCN(Cc1ccnc(C)n1)[C@H](C)c1ccc(F)cc1 ZINC000350479919 528856355 /nfs/dbraw/zinc/85/63/55/528856355.db2.gz PKUYTCSQPAZSLK-GFCCVEGCSA-N 0 1 273.355 3.507 20 0 CHADMN CC(C)N(CC(=O)N(C(C)C)C(C)C)Cc1cccs1 ZINC000353475351 528856533 /nfs/dbraw/zinc/85/65/33/528856533.db2.gz XSNNJMLYMJYAOJ-UHFFFAOYSA-N 0 1 296.480 3.604 20 0 CHADMN CCCC[C@H](N[C@H](C)c1nnc(CC)o1)C1CCC1 ZINC000347925561 528995714 /nfs/dbraw/zinc/99/57/14/528995714.db2.gz YCWUTJAMJCOGAG-YPMHNXCESA-N 0 1 265.401 3.642 20 0 CHADMN CC[C@@H](NCc1ccc(COC)cc1)c1ccc(F)cn1 ZINC000352701640 529183838 /nfs/dbraw/zinc/18/38/38/529183838.db2.gz LXENORVGOXESFC-MRXNPFEDSA-N 0 1 288.366 3.608 20 0 CHADMN CC[C@@H](NCc1ccccc1Cl)c1ccncc1 ZINC000344590431 529186725 /nfs/dbraw/zinc/18/67/25/529186725.db2.gz XLIQTROVEMPXQM-OAHLLOKOSA-N 0 1 260.768 3.976 20 0 CHADMN CCS[C@@H]1CCCCN([C@H](C)c2nnc(C)s2)C1 ZINC000347295926 529207136 /nfs/dbraw/zinc/20/71/36/529207136.db2.gz JDOYAJYKOQWMCG-ZYHUDNBSSA-N 0 1 285.482 3.515 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1Cc1nccn1C(F)F ZINC000353805920 529229113 /nfs/dbraw/zinc/22/91/13/529229113.db2.gz OSPJVNPJWNFPKN-RYUDHWBXSA-N 0 1 271.355 3.679 20 0 CHADMN CC[C@H]1CN(Cc2cccc(-c3ccccn3)c2)C[C@@H](C)O1 ZINC000352721030 529296889 /nfs/dbraw/zinc/29/68/89/529296889.db2.gz YIFFGDKPUYJASQ-QAPCUYQASA-N 0 1 296.414 3.748 20 0 CHADMN CC[C@@H]1CCCN1Cc1c(C(C)C)nc2sc(C)nn12 ZINC000352653093 529301474 /nfs/dbraw/zinc/30/14/74/529301474.db2.gz UQZGHIGXESGTFX-GFCCVEGCSA-N 0 1 292.452 3.597 20 0 CHADMN COc1ccccc1CNCc1ccc(OC(C)C)cc1 ZINC000032132594 567885943 /nfs/dbraw/zinc/88/59/43/567885943.db2.gz IEJIZMORYMJTSH-UHFFFAOYSA-N 0 1 285.387 3.772 20 0 CHADMN CC[C@H](C)[N@@H+](C)Cc1ccccc1Br ZINC000049595436 567893715 /nfs/dbraw/zinc/89/37/15/567893715.db2.gz BKRXHPLZFYROTM-JTQLQIEISA-N 0 1 256.187 3.679 20 0 CHADMN CC[C@H](C)N(C)Cc1ccccc1Br ZINC000049595436 567893716 /nfs/dbraw/zinc/89/37/16/567893716.db2.gz BKRXHPLZFYROTM-JTQLQIEISA-N 0 1 256.187 3.679 20 0 CHADMN CC[N@@H+](Cc1cc(C(=O)[O-])sc1C)C1CCCC1 ZINC000155955779 601619728 /nfs/dbraw/zinc/61/97/28/601619728.db2.gz RLUYCKYKTQTMDG-UHFFFAOYSA-N 0 1 267.394 3.519 20 0 CHADMN C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)Cc2ccccc21 ZINC000736806043 599709720 /nfs/dbraw/zinc/70/97/20/599709720.db2.gz GXCAEUJYOWQGPF-SJKOYZFVSA-N 0 1 299.345 3.571 20 0 CHADMN O=C([O-])c1coc(C[N@@H+](CC2CC2)C2CCCCC2)c1 ZINC000565485942 599772701 /nfs/dbraw/zinc/77/27/01/599772701.db2.gz HIDSKQVZBIDXBO-UHFFFAOYSA-N 0 1 277.364 3.523 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000062015215 599847518 /nfs/dbraw/zinc/84/75/18/599847518.db2.gz PGDOSGAYPIKGOE-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000062015215 599847519 /nfs/dbraw/zinc/84/75/19/599847519.db2.gz PGDOSGAYPIKGOE-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN Cc1ccccc1[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000573928123 599848272 /nfs/dbraw/zinc/84/82/72/599848272.db2.gz VXJDLMLSAOLFDR-MRXNPFEDSA-N 0 1 285.343 3.623 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(F)cc1C(=O)[O-])C1CCCC1 ZINC000516575831 599855407 /nfs/dbraw/zinc/85/54/07/599855407.db2.gz CMTJOVQTEQFASQ-UHFFFAOYSA-N 0 1 279.355 3.677 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](Cc2ccccc2F)C2CC2)cc1 ZINC000740123841 600069262 /nfs/dbraw/zinc/06/92/62/600069262.db2.gz OBFSVNUAGATMIM-UHFFFAOYSA-N 0 1 299.345 3.689 20 0 CHADMN C[C@@H](c1ccc(F)cc1)[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736716338 600085232 /nfs/dbraw/zinc/08/52/32/600085232.db2.gz FVGRFJKYTVNXLL-NSHDSACASA-N 0 1 285.318 3.601 20 0 CHADMN C[C@@H](c1ccc(F)cc1)[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736716338 600085236 /nfs/dbraw/zinc/08/52/36/600085236.db2.gz FVGRFJKYTVNXLL-NSHDSACASA-N 0 1 285.318 3.601 20 0 CHADMN C[C@@H](C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000384320849 600261570 /nfs/dbraw/zinc/26/15/70/600261570.db2.gz OSFRIMJNVDHNLA-ZDUSSCGKSA-N 0 1 281.355 3.504 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCCC2(CCCCC2)C1 ZINC000568062786 600338101 /nfs/dbraw/zinc/33/81/01/600338101.db2.gz POEAKZJERCWKHF-UHFFFAOYSA-N 0 1 277.364 3.524 20 0 CHADMN C[N@H+](Cc1cccs1)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737494165 600397849 /nfs/dbraw/zinc/39/78/49/600397849.db2.gz MJXNCHIVSVNUGY-CYBMUJFWSA-N 0 1 295.791 3.659 20 0 CHADMN C[N@@H+](Cc1cccs1)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737494165 600397853 /nfs/dbraw/zinc/39/78/53/600397853.db2.gz MJXNCHIVSVNUGY-CYBMUJFWSA-N 0 1 295.791 3.659 20 0 CHADMN CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1cc(C)c(C(=O)[O-])o1 ZINC000736880587 600433047 /nfs/dbraw/zinc/43/30/47/600433047.db2.gz SBAWTRXQIYXARR-SMDDNHRTSA-N 0 1 279.380 3.687 20 0 CHADMN Cc1oc(C[N@@H+]2CCC[C@H](C(C)C)CC2)cc1C(=O)[O-] ZINC000079349290 600509235 /nfs/dbraw/zinc/50/92/35/600509235.db2.gz GANPOBGJMMBQCL-ZDUSSCGKSA-N 0 1 279.380 3.544 20 0 CHADMN CCC[C@@H](C)[N@@H+](C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000570456829 600816653 /nfs/dbraw/zinc/81/66/53/600816653.db2.gz NMZGNLCQMMHQFS-LLVKDONJSA-N 0 1 299.798 3.537 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])[C@H](c2ccco2)C1 ZINC000569111459 600861789 /nfs/dbraw/zinc/86/17/89/600861789.db2.gz UCUGCMMIPGMREH-AAEUAGOBSA-N 0 1 289.331 3.544 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)[C@H](c2ccco2)C1 ZINC000578329853 600862108 /nfs/dbraw/zinc/86/21/08/600862108.db2.gz PZPDLXDCDBMVDJ-FZMZJTMJSA-N 0 1 289.331 3.544 20 0 CHADMN Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])o2)c1C ZINC000738698632 600966920 /nfs/dbraw/zinc/96/69/20/600966920.db2.gz PZKZFUYGDDTMIT-MRXNPFEDSA-N 0 1 299.370 3.932 20 0 CHADMN CC1(C)CCC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000087660761 600971685 /nfs/dbraw/zinc/97/16/85/600971685.db2.gz CMMANGHANMAXDU-UHFFFAOYSA-N 0 1 279.355 3.536 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000828457707 601045356 /nfs/dbraw/zinc/04/53/56/601045356.db2.gz WWVRGLBCVXOITR-CXAGYDPISA-N 0 1 281.355 3.578 20 0 CHADMN C[N@H+](Cc1cc2ccccc2o1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830811085 601119874 /nfs/dbraw/zinc/11/98/74/601119874.db2.gz LWIFDWXNAJUAGH-QGZVFWFLSA-N 0 1 295.338 3.691 20 0 CHADMN C[N@@H+](Cc1cc2ccccc2o1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830811085 601119875 /nfs/dbraw/zinc/11/98/75/601119875.db2.gz LWIFDWXNAJUAGH-QGZVFWFLSA-N 0 1 295.338 3.691 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000833024525 601120085 /nfs/dbraw/zinc/12/00/85/601120085.db2.gz IXRKSIITDPQTSL-UHFFFAOYSA-N 0 1 299.326 3.664 20 0 CHADMN C/C(=C/C[N@H+]1CCCCC[C@H]1c1ccc(C)o1)C(=O)[O-] ZINC000825741393 601169985 /nfs/dbraw/zinc/16/99/85/601169985.db2.gz MMWJBZNUONVUCW-UQTJOTSZSA-N 0 1 277.364 3.536 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](CC)Cc1cccs1 ZINC000652379537 601411123 /nfs/dbraw/zinc/41/11/23/601411123.db2.gz TXJFTCNKXMBZNC-UHFFFAOYSA-N 0 1 293.388 3.624 20 0 CHADMN CC1CCC([N@@H+](C)Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000232807655 601614543 /nfs/dbraw/zinc/61/45/43/601614543.db2.gz QYJZGFPNPHGZCE-UHFFFAOYSA-N 0 1 279.355 3.534 20 0 CHADMN CC[N@@H+](Cc1cc(C(=O)[O-])sc1C)[C@@H](C)C(C)C ZINC000706675480 601638887 /nfs/dbraw/zinc/63/88/87/601638887.db2.gz URHJAIHVJDDWGM-JTQLQIEISA-N 0 1 269.410 3.621 20 0 CHADMN C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccsc1C(=O)[O-] ZINC000110956441 601805232 /nfs/dbraw/zinc/80/52/32/601805232.db2.gz IKXVDLNNZOOBSE-VIFPVBQESA-N 0 1 293.413 3.627 20 0 CHADMN CC(C)[N@@H+](Cc1ccsc1C(=O)[O-])Cc1ccccc1 ZINC000110955106 601805345 /nfs/dbraw/zinc/80/53/45/601805345.db2.gz PQGYOCVKKNITRH-UHFFFAOYSA-N 0 1 289.400 3.857 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000578242292 601807372 /nfs/dbraw/zinc/80/73/72/601807372.db2.gz QZPYIJPQQPBYKK-LBPRGKRZSA-N 0 1 293.413 3.845 20 0 CHADMN O=C([O-])c1cccc(CNc2cc[nH+]c3ccsc32)c1 ZINC000833328985 601934983 /nfs/dbraw/zinc/93/49/83/601934983.db2.gz LHHQYOFSWIYXEG-UHFFFAOYSA-N 0 1 284.340 3.607 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000086780056 601941246 /nfs/dbraw/zinc/94/12/46/601941246.db2.gz AGXDWFUDJKQZAT-FZKQIMNGSA-N 0 1 283.371 3.697 20 0 CHADMN Cc1ccc(C[N@@H+](Cc2ccc(C(=O)[O-])s2)C2CC2)o1 ZINC000652387603 601942049 /nfs/dbraw/zinc/94/20/49/601942049.db2.gz BFTVJKNDCYSUBS-UHFFFAOYSA-N 0 1 291.372 3.512 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])s2)[C@H]1c1ccccc1 ZINC000828455675 601959334 /nfs/dbraw/zinc/95/93/34/601959334.db2.gz DZVXRSPYMUARNK-XHDPSFHLSA-N 0 1 287.384 3.639 20 0 CHADMN C[C@H]1CCC[N@H+]1[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000568060378 602046831 /nfs/dbraw/zinc/04/68/31/602046831.db2.gz BPRGXAKUUDCQEX-QPUJVOFHSA-N 0 1 288.174 3.603 20 0 CHADMN C/C(=C/C[N@H+]1CCCC[C@H]1c1ccc(F)cc1F)C(=O)[O-] ZINC000825740777 604452761 /nfs/dbraw/zinc/45/27/61/604452761.db2.gz AYMMDZDHEABZTK-QARUFBMTSA-N 0 1 295.329 3.523 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000037918878 604574832 /nfs/dbraw/zinc/57/48/32/604574832.db2.gz STOUWXHVZWMJCG-UHFFFAOYSA-N 0 1 289.400 3.641 20 0 CHADMN C/C(=C/c1ccccc1)C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000833386819 604634393 /nfs/dbraw/zinc/63/43/93/604634393.db2.gz TYMPCRLPEMATSD-ZROIWOOFSA-N 0 1 293.366 3.804 20 0 CHADMN CC(C)c1ccc([C@@H]2CCC[N@H+]2CCCC(=O)[O-])cc1 ZINC000833510131 604780786 /nfs/dbraw/zinc/78/07/86/604780786.db2.gz MGLRHXLFXPOUHX-INIZCTEOSA-N 0 1 275.392 3.812 20 0 CHADMN C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000223499966 604933715 /nfs/dbraw/zinc/93/37/15/604933715.db2.gz LCFATOGMFNFOFP-TZMCWYRMSA-N 0 1 293.382 3.710 20 0 CHADMN C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000223497607 604936248 /nfs/dbraw/zinc/93/62/48/604936248.db2.gz WRRMKDVFQWPTKA-CHWSQXEVSA-N 0 1 293.382 3.710 20 0 CHADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000135029804 604938805 /nfs/dbraw/zinc/93/88/05/604938805.db2.gz GNIHLCLANAMMFY-ZDUSSCGKSA-N 0 1 295.810 3.663 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)[C@@H]2CCCC[C@@H]21 ZINC000833629015 605222877 /nfs/dbraw/zinc/22/28/77/605222877.db2.gz DESUAHHIXMFTBY-AXAPSJFSSA-N 0 1 291.366 3.534 20 0 CHADMN O=C([O-])Nc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2)cn1 ZINC000834260136 605466465 /nfs/dbraw/zinc/46/64/65/605466465.db2.gz MRVSVMITFVBQQX-HNNXBMFYSA-N 0 1 297.358 3.509 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1Cl ZINC000050925369 948921342 /nfs/dbraw/zinc/92/13/42/948921342.db2.gz IIEGWYBTTNABIP-NSHDSACASA-N 0 1 299.773 3.698 20 0 CHADMN C[C@@H]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])C1 ZINC000089627948 949110794 /nfs/dbraw/zinc/11/07/94/949110794.db2.gz IMSMNNKZHRKCDA-RBSFLKMASA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000094904673 949188108 /nfs/dbraw/zinc/18/81/08/949188108.db2.gz XUZQPVCIQKUCNI-QGZVFWFLSA-N 0 1 289.419 3.572 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000094904674 949189028 /nfs/dbraw/zinc/18/90/28/949189028.db2.gz XUZQPVCIQKUCNI-KRWDZBQOSA-N 0 1 289.419 3.572 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1cc(F)ncc1F)C1CC1 ZINC000823438308 1131426866 /nfs/dbraw/zinc/42/68/66/1131426866.db2.gz SXCASGONNJAAEU-WDEREUQCSA-N 0 1 268.351 3.759 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001589640373 949682376 /nfs/dbraw/zinc/68/23/76/949682376.db2.gz DTZOMILFQMJVIG-HZSPNIEDSA-N 0 1 255.402 3.530 20 0 CHADMN CCN(CC)c1ccc(CN[C@H](C)c2ccc(C)o2)cn1 ZINC000126891286 1125457092 /nfs/dbraw/zinc/45/70/92/1125457092.db2.gz PAJOXFVDMBRXQZ-CQSZACIVSA-N 0 1 287.407 3.680 20 0 CHADMN Cc1ccccc1[C@H](C)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000316113210 950868604 /nfs/dbraw/zinc/86/86/04/950868604.db2.gz SCLQRCXCTIGKTJ-KBXCAEBGSA-N 0 1 295.382 3.740 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000394794315 951456672 /nfs/dbraw/zinc/45/66/72/951456672.db2.gz AEVIHDHULRJUMB-KFWWJZLASA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)(C)C1=CC[N@@H+](Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC000382548722 971821037 /nfs/dbraw/zinc/82/10/37/971821037.db2.gz RDZQPCMLCYRJCK-UHFFFAOYSA-N 0 1 291.366 3.702 20 0 CHADMN Cc1c(C)c(C)c(C[N@@H+](CC(=O)[O-])C2CCC2)c(C)c1C ZINC000568290436 953643824 /nfs/dbraw/zinc/64/38/24/953643824.db2.gz JSWTVUVXDJVODG-UHFFFAOYSA-N 0 1 289.419 3.668 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000629375480 953822137 /nfs/dbraw/zinc/82/21/37/953822137.db2.gz GJVOHXSWXCQMDF-PYLYLYNFSA-N 0 1 273.376 3.563 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000629772452 953834388 /nfs/dbraw/zinc/83/43/88/953834388.db2.gz PMRHUVPDCAHORX-IIAWOOMASA-N 0 1 281.440 3.636 20 0 CHADMN C[C@@H]1CCC[N@@H+](C/C=C\c2ccc(Cl)cc2)[C@H]1C(=O)[O-] ZINC001589333907 953970668 /nfs/dbraw/zinc/97/06/68/953970668.db2.gz FSHGGOSWDJVXPJ-KUXCDZRCSA-N 0 1 293.794 3.538 20 0 CHADMN C[C@H]([N@@H+](C)Cc1cccc(C(=O)[O-])c1Cl)C1(C)CC1 ZINC000385166982 971984563 /nfs/dbraw/zinc/98/45/63/971984563.db2.gz AUADBDUANBYEMT-JTQLQIEISA-N 0 1 281.783 3.659 20 0 CHADMN Cc1cccc(CCC[N@H+]2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000652495410 954090447 /nfs/dbraw/zinc/09/04/47/954090447.db2.gz VROQCTBNUDYCQX-QGZVFWFLSA-N 0 1 289.419 3.504 20 0 CHADMN CC[N@@H+](CC(=O)Nc1c(C)cccc1C(C)C)C1CC1 ZINC000045770781 1125462235 /nfs/dbraw/zinc/46/22/35/1125462235.db2.gz CDPMMVCXXARTRD-UHFFFAOYSA-N 0 1 274.408 3.541 20 0 CHADMN CCN(CC(=O)Nc1c(C)cccc1C(C)C)C1CC1 ZINC000045770781 1125462238 /nfs/dbraw/zinc/46/22/38/1125462238.db2.gz CDPMMVCXXARTRD-UHFFFAOYSA-N 0 1 274.408 3.541 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC000662210999 954381643 /nfs/dbraw/zinc/38/16/43/954381643.db2.gz BYUDPPYEWOMJTJ-HIFRSBDPSA-N 0 1 289.419 3.669 20 0 CHADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC000662211001 954382306 /nfs/dbraw/zinc/38/23/06/954382306.db2.gz BYUDPPYEWOMJTJ-ZFWWWQNUSA-N 0 1 289.419 3.669 20 0 CHADMN C[C@H](CC[N@@H+](CC(=O)[O-])CC(C)(C)C)c1ccccc1 ZINC000665351105 954543749 /nfs/dbraw/zinc/54/37/49/954543749.db2.gz QMFJVENMJNMMTA-CQSZACIVSA-N 0 1 277.408 3.613 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(C2CCCC2)c1 ZINC000665331170 954544141 /nfs/dbraw/zinc/54/41/41/954544141.db2.gz NSPAKLYOMVUKAD-MRXNPFEDSA-N 0 1 275.392 3.639 20 0 CHADMN C[C@H](C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1)CC(C)(C)C ZINC000709274433 955008635 /nfs/dbraw/zinc/00/86/35/955008635.db2.gz BPYKNGITYHJHCF-KBPBESRZSA-N 0 1 269.429 3.636 20 0 CHADMN C[C@@H](C[N@H+]1CCC[C@H](CCC(=O)[O-])C1)CC(C)(C)C ZINC000709274437 955008706 /nfs/dbraw/zinc/00/87/06/955008706.db2.gz BPYKNGITYHJHCF-ZIAGYGMSSA-N 0 1 269.429 3.636 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000901416592 956303451 /nfs/dbraw/zinc/30/34/51/956303451.db2.gz VNSXMEQXZQTANL-CABCVRRESA-N 0 1 267.413 3.556 20 0 CHADMN C[C@@H](c1ccc(Oc2ccccc2)cc1)[N@@H+](C)CC(=O)[O-] ZINC001589175117 956491198 /nfs/dbraw/zinc/49/11/98/956491198.db2.gz NNYIGTFRFLSXTO-ZDUSSCGKSA-N 0 1 285.343 3.556 20 0 CHADMN CSc1ccc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC000901997032 956597788 /nfs/dbraw/zinc/59/77/88/956597788.db2.gz KXFRPPSWYXTDKW-LLVKDONJSA-N 0 1 299.461 3.689 20 0 CHADMN CCc1ccc2ccccc2c1C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000903405492 956830916 /nfs/dbraw/zinc/83/09/16/956830916.db2.gz SGECQEPHLFYRJU-IBGZPJMESA-N 0 1 297.398 3.699 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903696975 956886913 /nfs/dbraw/zinc/88/69/13/956886913.db2.gz FNJVCMVJJVVONC-KBPBESRZSA-N 0 1 267.413 3.532 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903696978 956887342 /nfs/dbraw/zinc/88/73/42/956887342.db2.gz FNJVCMVJJVVONC-ZIAGYGMSSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)[C@@H]1c1ccccc1 ZINC000903706854 956902501 /nfs/dbraw/zinc/90/25/01/956902501.db2.gz HAXAQWKKJYRKDN-HOCLYGCPSA-N 0 1 287.403 3.715 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000043594303 957438669 /nfs/dbraw/zinc/43/86/69/957438669.db2.gz IGKWLSSJHXTJTN-WMLDXEAASA-N 0 1 289.419 3.887 20 0 CHADMN O=C([O-])[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccccc1 ZINC000061329331 957579355 /nfs/dbraw/zinc/57/93/55/957579355.db2.gz KBCUQXZEPDNLKY-DZGCQCFKSA-N 0 1 287.384 3.541 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000061449656 957582147 /nfs/dbraw/zinc/58/21/47/957582147.db2.gz RWYTWFIJNGKMDR-RHSMWYFYSA-N 0 1 289.419 3.714 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCCCC(=O)[O-] ZINC000062015248 957596813 /nfs/dbraw/zinc/59/68/13/957596813.db2.gz SMISNQNXFQCZGI-LLVKDONJSA-N 0 1 269.772 3.588 20 0 CHADMN C[C@H]1CCC[C@@H]([N@@H+](C)Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000062754030 957608770 /nfs/dbraw/zinc/60/87/70/957608770.db2.gz JKSFCWCTYMLUKM-SMDDNHRTSA-N 0 1 279.355 3.534 20 0 CHADMN CC[N@@H+](Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1F ZINC000062751031 957608857 /nfs/dbraw/zinc/60/88/57/957608857.db2.gz LJWDEYYFBSRDCN-UHFFFAOYSA-N 0 1 287.334 3.546 20 0 CHADMN CCC1CCC([N@@H+](C)Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000062755787 957610005 /nfs/dbraw/zinc/61/00/05/957610005.db2.gz QHYLGFDVGYUZRW-UHFFFAOYSA-N 0 1 293.382 3.925 20 0 CHADMN C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC000062755138 957610081 /nfs/dbraw/zinc/61/00/81/957610081.db2.gz MXLHNKPMJRQFFV-NHYWBVRUSA-N 0 1 279.355 3.534 20 0 CHADMN Cc1ccc(C[N@@H+](CC(=O)[O-])C2CCCCC2)c(C)c1 ZINC000076724441 957750659 /nfs/dbraw/zinc/75/06/59/957750659.db2.gz OAYQRTRXUKHROX-UHFFFAOYSA-N 0 1 275.392 3.523 20 0 CHADMN CC[N@@H+](Cc1ccc2ccccc2c1)C(C)(C)C(=O)[O-] ZINC000086759428 957984885 /nfs/dbraw/zinc/98/48/85/957984885.db2.gz CHZOSRSEKYESFP-UHFFFAOYSA-N 0 1 271.360 3.525 20 0 CHADMN O=C([O-])C[C@H]1CCCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000086775343 957988182 /nfs/dbraw/zinc/98/81/82/957988182.db2.gz NAJJDAAYMLFHKJ-QGZVFWFLSA-N 0 1 283.371 3.669 20 0 CHADMN C[C@@H](CC[N@H+]1CCCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000086814686 957996012 /nfs/dbraw/zinc/99/60/12/957996012.db2.gz UEZWROQMVBCXRP-GOEBONIOSA-N 0 1 275.392 3.509 20 0 CHADMN Cc1cc(C)cc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000135033247 958879591 /nfs/dbraw/zinc/87/95/91/958879591.db2.gz HSLNAZGNXJZTHD-INIZCTEOSA-N 0 1 289.419 3.626 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CCCCC(=O)[O-] ZINC000181569769 959440521 /nfs/dbraw/zinc/44/05/21/959440521.db2.gz JQPUWEYFGVMIDS-KRWDZBQOSA-N 0 1 291.435 3.893 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001573736210 960438527 /nfs/dbraw/zinc/43/85/27/960438527.db2.gz RSRIJZDTDQJJBQ-CKYFFXLPSA-N 0 1 299.773 3.583 20 0 CHADMN Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C(=O)[O-])o2)c(C)o1 ZINC000235534980 960457084 /nfs/dbraw/zinc/45/70/84/960457084.db2.gz COASHDALMSCAOR-ZJUUUORDSA-N 0 1 277.320 3.599 20 0 CHADMN C[C@@H]1CSCCN(Cc2cscc2Cl)C1 ZINC000683110238 1117770525 /nfs/dbraw/zinc/77/05/25/1117770525.db2.gz ZSPPATPOOQWIJQ-VIFPVBQESA-N 0 1 261.843 3.586 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001327324362 961154983 /nfs/dbraw/zinc/15/49/83/961154983.db2.gz WLPCYMOKVBKTKT-BXUZGUMPSA-N 0 1 281.783 3.588 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000251316449 961246669 /nfs/dbraw/zinc/24/66/69/961246669.db2.gz JMOCERPZLLVGGM-KBPBESRZSA-N 0 1 255.402 3.532 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+](CC(=O)[O-])CC1CC1 ZINC001588797207 961401734 /nfs/dbraw/zinc/40/17/34/961401734.db2.gz DLIFYAAEZNZZKK-CQSZACIVSA-N 0 1 267.413 3.556 20 0 CHADMN CC[C@H]1CCCC[C@H]1C[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001331925368 961413187 /nfs/dbraw/zinc/41/31/87/961413187.db2.gz SNCAEZXGOOPLED-KBPBESRZSA-N 0 1 293.407 3.934 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@@H+](C)C(C)(C)CC(=O)[O-] ZINC001333135898 961651239 /nfs/dbraw/zinc/65/12/39/961651239.db2.gz GAHVNSIBPGSTER-AWEZNQCLSA-N 0 1 269.429 3.944 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc(-n3cccn3)c2)o1 ZINC000130116698 1125479802 /nfs/dbraw/zinc/47/98/02/1125479802.db2.gz YOTQGYOAQVSGJV-CQSZACIVSA-N 0 1 281.359 3.625 20 0 CHADMN Cc1oc(C[N@H+](C)C[C@@H]2C(C)=CCC[C@@H]2C)cc1C(=O)[O-] ZINC001339119261 962003054 /nfs/dbraw/zinc/00/30/54/962003054.db2.gz WSEWFIADQPSXRE-BLLLJJGKSA-N 0 1 291.391 3.710 20 0 CHADMN CCCC[N@@H+](Cc1noc(C)n1)[C@H]1CCC[C@@H](C)C1 ZINC000339649826 1117946273 /nfs/dbraw/zinc/94/62/73/1117946273.db2.gz VENZMHTZZJOZCX-OCCSQVGLSA-N 0 1 265.401 3.559 20 0 CHADMN CCCCN(Cc1noc(C)n1)[C@H]1CCC[C@@H](C)C1 ZINC000339649826 1117946277 /nfs/dbraw/zinc/94/62/77/1117946277.db2.gz VENZMHTZZJOZCX-OCCSQVGLSA-N 0 1 265.401 3.559 20 0 CHADMN Cc1cc(CN2CC[C@H](c3ccc(Cl)cc3)C2)no1 ZINC000111306488 1125482071 /nfs/dbraw/zinc/48/20/71/1125482071.db2.gz JLNWQSICPDBKHV-ZDUSSCGKSA-N 0 1 276.767 3.626 20 0 CHADMN CCc1cccc2cc(C[N@@H+](C)C(C)(C)CC(=O)[O-])oc21 ZINC001353916406 962678841 /nfs/dbraw/zinc/67/88/41/962678841.db2.gz UITVFYUDFNPREW-UHFFFAOYSA-N 0 1 289.375 3.680 20 0 CHADMN CCc1cccc(CN[C@@H]2c3ccccc3O[C@@H]2C)c1 ZINC001202647878 1125484500 /nfs/dbraw/zinc/48/45/00/1125484500.db2.gz YGVQOQJRQVAQHT-ACJLOTCBSA-N 0 1 267.372 3.861 20 0 CHADMN CC1=C[C@H](C)CN([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000430284282 1117994487 /nfs/dbraw/zinc/99/44/87/1117994487.db2.gz LJGCFTFYBPEGIL-CMPLNLGQSA-N 0 1 251.320 3.924 20 0 CHADMN CCn1cc(CNC2(c3ccc(Cl)cc3)CCC2)cn1 ZINC000112097936 1125484688 /nfs/dbraw/zinc/48/46/88/1125484688.db2.gz GSTLEMREXCHQOM-UHFFFAOYSA-N 0 1 289.810 3.725 20 0 CHADMN C[N@@H+](Cc1cccc2ccccc21)C1(C(=O)[O-])CCCC1 ZINC000315393270 963894129 /nfs/dbraw/zinc/89/41/29/963894129.db2.gz SQJFUBIMWAKCLK-UHFFFAOYSA-N 0 1 283.371 3.669 20 0 CHADMN Cc1cc(C)cc(C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000316968488 964081589 /nfs/dbraw/zinc/08/15/89/964081589.db2.gz QQAZBHXMGFZDAK-UHFFFAOYSA-N 0 1 295.382 3.560 20 0 CHADMN CCCOc1ccc(Cl)cc1NCc1cn[nH]c1C ZINC000037777872 1118038891 /nfs/dbraw/zinc/03/88/91/1118038891.db2.gz XCEZDDVPVQXVEG-UHFFFAOYSA-N 0 1 279.771 3.772 20 0 CHADMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2cccc(C3CCCC3)c2)C1 ZINC000665331577 968836825 /nfs/dbraw/zinc/83/68/25/968836825.db2.gz VWJRCDCULBPVGM-QGZVFWFLSA-N 0 1 287.403 3.641 20 0 CHADMN Cc1cc(Cl)cc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1 ZINC000665350850 968836993 /nfs/dbraw/zinc/83/69/93/968836993.db2.gz GTJLZYISYGRCQX-UHFFFAOYSA-N 0 1 283.799 3.581 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@H]2C2CCCCC2)CCC1 ZINC000903697039 969590321 /nfs/dbraw/zinc/59/03/21/969590321.db2.gz PPMWYTXSJDHVNL-HNNXBMFYSA-N 0 1 279.424 3.676 20 0 CHADMN CCC[C@@H](C)[N@@H+](C)Cc1cccc(C(=O)[O-])c1Cl ZINC000394268828 972693979 /nfs/dbraw/zinc/69/39/79/972693979.db2.gz TUHSBYOIDTWFBK-SNVBAGLBSA-N 0 1 269.772 3.659 20 0 CHADMN CC[C@@H]1CCC[C@@H](C[N@@H+](CC(=O)[O-])C2CCCC2)C1 ZINC000394610462 972723829 /nfs/dbraw/zinc/72/38/29/972723829.db2.gz IWYXZBFMKIYKLV-ZIAGYGMSSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC001603619769 973917901 /nfs/dbraw/zinc/91/79/01/973917901.db2.gz JWCRMVJVMPJNEU-ZIAGYGMSSA-N 0 1 267.413 3.532 20 0 CHADMN CCC[N@@H+](CCc1cccc(F)c1)[C@@H](CC(C)C)C(=O)[O-] ZINC000521447257 974344794 /nfs/dbraw/zinc/34/47/94/974344794.db2.gz VQJLRSAHWLYIHM-INIZCTEOSA-N 0 1 295.398 3.580 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1occc1C(=O)[O-])C1CCCCC1 ZINC000530171579 974361358 /nfs/dbraw/zinc/36/13/58/974361358.db2.gz CGVPETJZCKSYIX-GFCCVEGCSA-N 0 1 279.380 3.626 20 0 CHADMN Cc1cc(C[N@H+](C)C[C@H](C)C2CCCCC2)oc1C(=O)[O-] ZINC000530172922 974362512 /nfs/dbraw/zinc/36/25/12/974362512.db2.gz LVFYBFNRQGLKSJ-ZDUSSCGKSA-N 0 1 293.407 3.934 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C(C)(C)C1 ZINC000563722828 974538086 /nfs/dbraw/zinc/53/80/86/974538086.db2.gz KRFAQPMTNCFWGA-JTQLQIEISA-N 0 1 281.783 3.659 20 0 CHADMN CCC(CC)[N@@H+](Cc1cc(C(=O)[O-])sc1C)C1CC1 ZINC000565104157 974570734 /nfs/dbraw/zinc/57/07/34/974570734.db2.gz NLYRJXIMGWBENE-UHFFFAOYSA-N 0 1 281.421 3.908 20 0 CHADMN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2csc(C(=O)[O-])c2)C1 ZINC000565105550 974572104 /nfs/dbraw/zinc/57/21/04/974572104.db2.gz MODQOZCZGCLLCM-RYUDHWBXSA-N 0 1 299.461 3.552 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@H+](CCCC1CCCC1)CC2 ZINC000565112297 974574027 /nfs/dbraw/zinc/57/40/27/974574027.db2.gz JHTZBOJCXWDQEC-UHFFFAOYSA-N 0 1 287.403 3.713 20 0 CHADMN C[C@H](C[N@@H+](C/C=C\c1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000568073581 974660555 /nfs/dbraw/zinc/66/05/55/974660555.db2.gz GAAWWSCDFVIJNY-ZZKXABKFSA-N 0 1 293.794 3.538 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000569981685 974703111 /nfs/dbraw/zinc/70/31/11/974703111.db2.gz NQMCHCQRSIPZJJ-GJZGRUSLSA-N 0 1 281.440 3.922 20 0 CHADMN O=C([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H]2C2CCC2)c1 ZINC000578137535 974848548 /nfs/dbraw/zinc/84/85/48/974848548.db2.gz LTQAXHWWHYJSRF-HNNXBMFYSA-N 0 1 293.794 3.803 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)C(C1CC1)C1CC1 ZINC000578995744 974866461 /nfs/dbraw/zinc/86/64/61/974866461.db2.gz RZUKHTXJWLJKFT-UHFFFAOYSA-N 0 1 293.794 3.659 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](CCCc1ccccc1Cl)C1CCC1 ZINC000579973883 974886392 /nfs/dbraw/zinc/88/63/92/974886392.db2.gz OZUFLIYWSPSPQE-GFCCVEGCSA-N 0 1 295.810 3.600 20 0 CHADMN C[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000582365327 974924877 /nfs/dbraw/zinc/92/48/77/974924877.db2.gz QSEUTNIUZMODQW-GDBMZVCRSA-N 0 1 293.794 3.514 20 0 CHADMN C[N@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)CC1CCCC1 ZINC000583636452 974943837 /nfs/dbraw/zinc/94/38/37/974943837.db2.gz XRMYVODUADHSSN-UHFFFAOYSA-N 0 1 281.783 3.660 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000583636183 974943872 /nfs/dbraw/zinc/94/38/72/974943872.db2.gz LNHWJXWPUVXTFS-WMZOPIPTSA-N 0 1 289.419 3.539 20 0 CHADMN CCC[C@@H](C)CCC[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000629360399 975081984 /nfs/dbraw/zinc/08/19/84/975081984.db2.gz QDOJKWNJPKYSNH-RHSMWYFYSA-N 0 1 289.419 3.887 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000629376261 975091029 /nfs/dbraw/zinc/09/10/29/975091029.db2.gz TYIITIDRPWXWMG-RSNNXLNZSA-N 0 1 277.364 3.717 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000634697571 975275324 /nfs/dbraw/zinc/27/53/24/975275324.db2.gz MLPRPUPTOBKJHK-GJZGRUSLSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@H](C[N@@H+](C)[C@H](C(=O)[O-])c1ccc(F)cc1)C(C)(C)C ZINC000634697534 975275627 /nfs/dbraw/zinc/27/56/27/975275627.db2.gz LNSHFBDDDJIARX-RISCZKNCSA-N 0 1 281.371 3.565 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCC[C@H](C3CCC3)CC2)cs1 ZINC000634697977 975276006 /nfs/dbraw/zinc/27/60/06/975276006.db2.gz XPAXFQDDGHCYNY-AWEZNQCLSA-N 0 1 293.432 3.849 20 0 CHADMN C[C@H]1C[N@@H+](CCCCC(=O)[O-])CCc2ccc(Cl)cc21 ZINC000650504075 975442625 /nfs/dbraw/zinc/44/26/25/975442625.db2.gz RHDGJIDZTVVHQH-LBPRGKRZSA-N 0 1 295.810 3.557 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1CC(C)C ZINC000652425723 975528188 /nfs/dbraw/zinc/52/81/88/975528188.db2.gz JCJHYRXZJQMFGU-CQSZACIVSA-N 0 1 279.380 3.687 20 0 CHADMN Cc1cc(F)ccc1C[N@H+](C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000652431396 975530954 /nfs/dbraw/zinc/53/09/54/975530954.db2.gz MCJLWRLXGDZAHO-LLVKDONJSA-N 0 1 291.322 3.618 20 0 CHADMN O=C([O-])C[C@@H]1CCCC[N@H+]1C/C=C/c1ccc(Cl)cc1 ZINC000652463889 975540607 /nfs/dbraw/zinc/54/06/07/975540607.db2.gz ZKVPCJFPGPPSTC-BWPKMQGJSA-N 0 1 293.794 3.682 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])CC1CCC(C(F)(F)F)CC1 ZINC000652477652 975547134 /nfs/dbraw/zinc/54/71/34/975547134.db2.gz DEEQPLXNQFWRNW-UHFFFAOYSA-N 0 1 295.345 3.540 20 0 CHADMN O=C([O-])C[N@@H+](CC1CCC(F)(F)CC1)C1CCCCC1 ZINC000652482268 975549940 /nfs/dbraw/zinc/54/99/40/975549940.db2.gz VDLPNHJMRGJVCC-UHFFFAOYSA-N 0 1 289.366 3.531 20 0 CHADMN CCC1(CC)CCC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000656763695 975693213 /nfs/dbraw/zinc/69/32/13/975693213.db2.gz QMPIXLAQVMELLY-GFCCVEGCSA-N 0 1 279.380 3.941 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCCCCC2)[C@H]2CCCC[C@@H]12 ZINC000656769007 975703811 /nfs/dbraw/zinc/70/38/11/975703811.db2.gz XXQNGYBLIUHFQL-BBWFWOEESA-N 0 1 293.451 3.922 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000659801833 975892386 /nfs/dbraw/zinc/89/23/86/975892386.db2.gz LHRVXTUFTUFRPN-CYBMUJFWSA-N 0 1 291.391 3.552 20 0 CHADMN CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000659803520 975893799 /nfs/dbraw/zinc/89/37/99/975893799.db2.gz JXVANANUWNZBQY-SWLSCSKDSA-N 0 1 261.365 3.538 20 0 CHADMN Cc1ccccc1[C@H](C(=O)[O-])[N@@H+](CCC1CC1)CC1CC1 ZINC000659803251 975894076 /nfs/dbraw/zinc/89/40/76/975894076.db2.gz GRHHSOUMRIUKOD-QGZVFWFLSA-N 0 1 287.403 3.633 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCC[C@@H](C3CCCCC3)C2)c1 ZINC000659803010 975894094 /nfs/dbraw/zinc/89/40/94/975894094.db2.gz CHDOHWDZROBZQM-CQSZACIVSA-N 0 1 291.391 3.770 20 0 CHADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)C[C@@H]1CCc2ccccc21 ZINC000659804557 975894913 /nfs/dbraw/zinc/89/49/13/975894913.db2.gz ZLHCPPWBTBVDQM-KRWDZBQOSA-N 0 1 295.382 3.547 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC3CC2(c2ccccc2)C3)s1 ZINC000663316503 975943711 /nfs/dbraw/zinc/94/37/11/975943711.db2.gz FJPWVYRRQSQEIG-UHFFFAOYSA-N 0 1 299.395 3.567 20 0 CHADMN CC(C)c1ccc2c(c1)C[N@H+](Cc1occc1C(=O)[O-])CC2 ZINC001591981689 976598703 /nfs/dbraw/zinc/59/87/03/976598703.db2.gz XITGXWFHPLPLQQ-UHFFFAOYSA-N 0 1 299.370 3.660 20 0 CHADMN C[C@@H](C1CCCCC1)[N@@H+](C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC001592182011 977114484 /nfs/dbraw/zinc/11/44/84/977114484.db2.gz UZXGRNQXLKSCIH-LBPRGKRZSA-N 0 1 293.382 3.925 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@H](C2CCCCC2)C1)C(=O)[O-] ZINC000708294005 977421151 /nfs/dbraw/zinc/42/11/51/977421151.db2.gz GREGMUMCNWQLSG-HNNXBMFYSA-N 0 1 281.440 3.780 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000708555041 977435352 /nfs/dbraw/zinc/43/53/52/977435352.db2.gz JPNUSBSIMWMNCG-NSHDSACASA-N 0 1 281.421 3.704 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1)CC(C)(C)C ZINC000709116843 977453225 /nfs/dbraw/zinc/45/32/25/977453225.db2.gz HNFIIVAWBCJTET-ZDUSSCGKSA-N 0 1 277.408 3.889 20 0 CHADMN CC(C)Oc1cccc(CN(C)CCC(F)(F)F)c1 ZINC000064635855 1118327553 /nfs/dbraw/zinc/32/75/53/1118327553.db2.gz DWAVUXVWIPLYNW-UHFFFAOYSA-N 0 1 275.314 3.858 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCCNCc1ccc(Cl)o1 ZINC000069786084 1118370495 /nfs/dbraw/zinc/37/04/95/1118370495.db2.gz SXPCDKUXSWTGCS-DGCLKSJQSA-N 0 1 271.788 3.618 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000846243674 979419725 /nfs/dbraw/zinc/41/97/25/979419725.db2.gz GPPKARDXNNCFND-OAHLLOKOSA-N 0 1 297.398 3.549 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000846243673 979420137 /nfs/dbraw/zinc/42/01/37/979420137.db2.gz GPPKARDXNNCFND-HNNXBMFYSA-N 0 1 297.398 3.549 20 0 CHADMN CC[N@@H+](CCC(C)(C)C(=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000859782804 979628748 /nfs/dbraw/zinc/62/87/48/979628748.db2.gz BHTKHHSYIHJINK-ZDUSSCGKSA-N 0 1 293.407 3.579 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)[C@H]1C ZINC000859793070 979632156 /nfs/dbraw/zinc/63/21/56/979632156.db2.gz IHTKPXRMZABKID-OLZOCXBDSA-N 0 1 299.370 3.875 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000871622015 979961345 /nfs/dbraw/zinc/96/13/45/979961345.db2.gz WLRUHOCVXFYYHD-ZDUSSCGKSA-N 0 1 287.359 3.510 20 0 CHADMN Cc1ccc(C[N@H+]2C[C@H](C)CCC[C@@H]2C)cc1C(=O)[O-] ZINC000872158384 980042420 /nfs/dbraw/zinc/04/24/20/980042420.db2.gz CMWZKCOPGDDDEL-OCCSQVGLSA-N 0 1 275.392 3.704 20 0 CHADMN C[C@H]1C[N@@H+](CCc2ccccc2C(=O)[O-])Cc2ccccc21 ZINC000872166428 980061954 /nfs/dbraw/zinc/06/19/54/980061954.db2.gz IFCQWJWPROPSBT-AWEZNQCLSA-N 0 1 295.382 3.547 20 0 CHADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1ccc(F)c2ccccc12 ZINC000901589691 980395927 /nfs/dbraw/zinc/39/59/27/980395927.db2.gz VLKROZAXJVKSRN-UHFFFAOYSA-N 0 1 289.350 3.522 20 0 CHADMN CC(C)C1(C[N@@H+](CC(=O)[O-])Cc2ccc(Cl)cc2)CC1 ZINC000901589812 980396025 /nfs/dbraw/zinc/39/60/25/980396025.db2.gz AGIAAJBUEKSMDE-UHFFFAOYSA-N 0 1 295.810 3.663 20 0 CHADMN Cc1oc2ccccc2c1C[N@H+](CCC(=O)[O-])CC(C)C ZINC000901596471 980399490 /nfs/dbraw/zinc/39/94/90/980399490.db2.gz WVFNVDPISJUXAS-UHFFFAOYSA-N 0 1 289.375 3.674 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@H+](CCC(=O)[O-])CC(C)C ZINC000901596472 980399601 /nfs/dbraw/zinc/39/96/01/980399601.db2.gz WXGLANBQZVXBJR-UHFFFAOYSA-N 0 1 297.826 3.890 20 0 CHADMN CC(C)C[N@H+](CCC(=O)[O-])CC[C@@H](C)c1ccccc1 ZINC000901596770 980399614 /nfs/dbraw/zinc/39/96/14/980399614.db2.gz YVZNMSSGRDOFET-OAHLLOKOSA-N 0 1 277.408 3.613 20 0 CHADMN C[C@@H](Cc1ccccc1)C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000901646490 980423505 /nfs/dbraw/zinc/42/35/05/980423505.db2.gz OTFRORIYUGYXRD-AWEZNQCLSA-N 0 1 295.382 3.579 20 0 CHADMN CC[C@H]1CCCC[C@@H]1C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000901648194 980426350 /nfs/dbraw/zinc/42/63/50/980426350.db2.gz OKPNRQMXNKCLHG-DZGCQCFKSA-N 0 1 287.403 3.917 20 0 CHADMN CC[C@@H](Nc1cc(C(=O)[O-])cc[nH+]1)c1ccc(Cl)cc1 ZINC001595317211 980490085 /nfs/dbraw/zinc/49/00/85/980490085.db2.gz NSTLZGIZTIJCOK-CYBMUJFWSA-N 0 1 290.750 3.996 20 0 CHADMN C[C@@H]1CCCC[C@H]1C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000901777612 980508122 /nfs/dbraw/zinc/50/81/22/980508122.db2.gz IQHFHVWNPJNUFR-HIFRSBDPSA-N 0 1 287.403 3.569 20 0 CHADMN COc1cc(F)c(F)cc1CN1CCCC[C@H](C)C1 ZINC001143387789 1118536453 /nfs/dbraw/zinc/53/64/53/1118536453.db2.gz SZXWWOSZZYKLEZ-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000901984600 980665426 /nfs/dbraw/zinc/66/54/26/980665426.db2.gz NLXKXEKMYLUGRC-LSDHHAIUSA-N 0 1 299.480 3.651 20 0 CHADMN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000902048562 980713007 /nfs/dbraw/zinc/71/30/07/980713007.db2.gz XITLCZNLTTZZNO-MWIANEHASA-N 0 1 299.414 3.713 20 0 CHADMN CC[N@@H+](CCC(C)(C)C(=O)[O-])Cc1ccccc1Cl ZINC000902120548 980745089 /nfs/dbraw/zinc/74/50/89/980745089.db2.gz DUBBSOVJDUFHSX-UHFFFAOYSA-N 0 1 283.799 3.663 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cccs1 ZINC001595363232 980779728 /nfs/dbraw/zinc/77/97/28/980779728.db2.gz YWLPDWPPFPDKQD-HNNXBMFYSA-N 0 1 289.400 3.786 20 0 CHADMN CCCCC[N@@H+](CC(=O)Nc1cccc(C)c1)C(C)C ZINC000510396207 1118568022 /nfs/dbraw/zinc/56/80/22/1118568022.db2.gz PZTNZTKYWQYHIC-UHFFFAOYSA-N 0 1 276.424 3.834 20 0 CHADMN Cc1oc(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)cc1C(=O)[O-] ZINC000902327830 980834625 /nfs/dbraw/zinc/83/46/25/980834625.db2.gz XKJKNBSOVCOLSB-OAHLLOKOSA-N 0 1 299.370 3.584 20 0 CHADMN CCc1oc(C[N@H+]2CCC[C@H](C(C)(C)C)C2)cc1C(=O)[O-] ZINC000902449594 980892953 /nfs/dbraw/zinc/89/29/53/980892953.db2.gz CWYCTXMRWBRSPN-LBPRGKRZSA-N 0 1 293.407 3.798 20 0 CHADMN CCc1oc(C[N@@H+](CC2CC2)CC2CCC2)cc1C(=O)[O-] ZINC000902452235 980893944 /nfs/dbraw/zinc/89/39/44/980893944.db2.gz XSABHOJPUZPGPE-UHFFFAOYSA-N 0 1 291.391 3.552 20 0 CHADMN CCC1CCC([N@@H+](C)Cc2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC000902509701 980914728 /nfs/dbraw/zinc/91/47/28/980914728.db2.gz IRADODDBMJRNRH-KHPPLWFESA-N 0 1 291.391 3.778 20 0 CHADMN CC(C)(CC[N@H+]1CCCCC[C@H]1c1ccco1)C(=O)[O-] ZINC000902517235 980917380 /nfs/dbraw/zinc/91/73/80/980917380.db2.gz DMBQYDPJLZDFOQ-ZDUSSCGKSA-N 0 1 279.380 3.698 20 0 CHADMN C[C@@H]([N@@H+](C)Cc1ccnc2c(C(=O)[O-])cccc12)C1(C)CC1 ZINC000902522722 980919641 /nfs/dbraw/zinc/91/96/41/980919641.db2.gz BGSOUCBAKZIKMD-GFCCVEGCSA-N 0 1 298.386 3.553 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3ccc(C(=O)[O-])o3)C2)cc1 ZINC000902546155 980928418 /nfs/dbraw/zinc/92/84/18/980928418.db2.gz SGUFYFWZFOOUIV-DZGCQCFKSA-N 0 1 299.370 3.664 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1c(CC)ccc2ccccc21 ZINC000903402347 980958386 /nfs/dbraw/zinc/95/83/86/980958386.db2.gz OMAWRAZIVWVQLT-UHFFFAOYSA-N 0 1 285.387 3.699 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](CC)Cc1cccc(Cl)c1 ZINC000903596668 980980065 /nfs/dbraw/zinc/98/00/65/980980065.db2.gz XEWJGWVMNWMSSX-RISCZKNCSA-N 0 1 283.799 3.661 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000903597414 980980795 /nfs/dbraw/zinc/98/07/95/980980795.db2.gz ZOCIXRNTSGLAFV-ZQDZILKHSA-N 0 1 281.440 3.634 20 0 CHADMN O=C([O-])C[N@@H+](CC[C@@H]1CCCC1(F)F)C1CCCCC1 ZINC000903602812 980984460 /nfs/dbraw/zinc/98/44/60/980984460.db2.gz SNKVMAUDXXYZFK-LBPRGKRZSA-N 0 1 289.366 3.531 20 0 CHADMN C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1occc1C(=O)[O-] ZINC000903631283 981007682 /nfs/dbraw/zinc/00/76/82/981007682.db2.gz MDBKNQQBNFFXEL-BBRMVZONSA-N 0 1 299.370 3.746 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC000903888070 981021843 /nfs/dbraw/zinc/02/18/43/981021843.db2.gz OUEICXGHGGSQMN-ZDUSSCGKSA-N 0 1 298.386 3.555 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC001595444191 981086417 /nfs/dbraw/zinc/08/64/17/981086417.db2.gz KGEMLSHJCPYIQB-YPMHNXCESA-N 0 1 281.421 3.847 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1C[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001595447647 981096024 /nfs/dbraw/zinc/09/60/24/981096024.db2.gz IELBAIZVUPUOFM-RBSFLKMASA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(Cl)cc2)C1 ZINC001595453888 981122000 /nfs/dbraw/zinc/12/20/00/981122000.db2.gz ZYEAAZWNMDWEOU-FZMZJTMJSA-N 0 1 281.783 3.588 20 0 CHADMN CCCC1CCC([N@@H+](C)Cc2occc2C(=O)[O-])CC1 ZINC001595620264 981688028 /nfs/dbraw/zinc/68/80/28/981688028.db2.gz BQJUGDIGALJXLI-UHFFFAOYSA-N 0 1 279.380 3.769 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1nc(Cl)ccc1C ZINC001140443763 1118668223 /nfs/dbraw/zinc/66/82/23/1118668223.db2.gz AHOQLPRPVLTOIO-LBPRGKRZSA-N 0 1 252.789 3.808 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC001595629050 981794975 /nfs/dbraw/zinc/79/49/75/981794975.db2.gz VMAOYMGGCMCJMD-RDJZCZTQSA-N 0 1 293.382 3.509 20 0 CHADMN CC(C)CC1(C[NH2+]Cc2cccc([O-])c2Cl)CC1 ZINC000391936272 1118796553 /nfs/dbraw/zinc/79/65/53/1118796553.db2.gz KQJDDYYGNIDIMZ-UHFFFAOYSA-N 0 1 267.800 3.962 20 0 CHADMN CCC[N@@H+](Cc1occc1C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC001595891122 982924311 /nfs/dbraw/zinc/92/43/11/982924311.db2.gz LNRCUQOSUJMXLF-MRXNPFEDSA-N 0 1 299.370 3.877 20 0 CHADMN CC(C)(C)c1coc(CNCC2(C3CC3)CCC2)n1 ZINC000724363917 1118976797 /nfs/dbraw/zinc/97/67/97/1118976797.db2.gz JZFVYGQKBYEMJD-UHFFFAOYSA-N 0 1 262.397 3.642 20 0 CHADMN CS[C@@H]1CCC[C@H](NCc2nc(C(C)(C)C)co2)C1 ZINC000724434320 1119002273 /nfs/dbraw/zinc/00/22/73/1119002273.db2.gz PBKMKQOIZBNKBI-NWDGAFQWSA-N 0 1 282.453 3.736 20 0 CHADMN CCCn1cc(CN2CCC[C@@H]2c2ccccc2OC)cn1 ZINC000130940458 1125486537 /nfs/dbraw/zinc/48/65/37/1125486537.db2.gz FOBXBJAMMYVVDX-QGZVFWFLSA-N 0 1 299.418 3.639 20 0 CHADMN CCc1nc(CS[C@H](CC)c2ccccc2)n[nH]1 ZINC000130987422 1125486846 /nfs/dbraw/zinc/48/68/46/1125486846.db2.gz YKJNYWNDZLHNQV-GFCCVEGCSA-N 0 1 261.394 3.752 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N(Cc2noc(-c3ccsc3)n2)C1 ZINC000131014374 1125488215 /nfs/dbraw/zinc/48/82/15/1125488215.db2.gz TXIAPYHFJJLWED-VXGBXAGGSA-N 0 1 291.420 3.809 20 0 CHADMN COCc1ccc(Nc2ccc3[nH]c(C)nc3c2)cc1 ZINC001213075145 1125488384 /nfs/dbraw/zinc/48/83/84/1125488384.db2.gz GGNIEXJQWNYSIP-UHFFFAOYSA-N 0 1 267.332 3.761 20 0 CHADMN CC[N@H+](Cc1ccoc1)Cc1cc(C(=O)[O-])ccc1Cl ZINC001596377670 983887201 /nfs/dbraw/zinc/88/72/01/983887201.db2.gz AKVZCAYLJONTRV-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN CC[N@@H+](Cc1ccoc1)Cc1cc(C(=O)[O-])ccc1Cl ZINC001596377670 983887211 /nfs/dbraw/zinc/88/72/11/983887211.db2.gz AKVZCAYLJONTRV-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN CC[N@@H+](Cc1csc(C(=O)[O-])c1)[C@@H]1CCCC[C@@H]1C ZINC001596377565 983887258 /nfs/dbraw/zinc/88/72/58/983887258.db2.gz FAKZJTGFOGXDRZ-WCQYABFASA-N 0 1 281.421 3.847 20 0 CHADMN CC[N@@H+](Cc1ccsc1C(=O)[O-])[C@H]1CCCC[C@@H]1C ZINC001596378774 983899135 /nfs/dbraw/zinc/89/91/35/983899135.db2.gz WNVRPQGWLOCTSP-AAEUAGOBSA-N 0 1 281.421 3.847 20 0 CHADMN CC[N@@H+](Cc1ccsc1C(=O)[O-])[C@@H]1CCCC[C@@H]1C ZINC001596378777 983899528 /nfs/dbraw/zinc/89/95/28/983899528.db2.gz WNVRPQGWLOCTSP-WCQYABFASA-N 0 1 281.421 3.847 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1nc(C2CC2)cs1 ZINC000342747652 1119153232 /nfs/dbraw/zinc/15/32/32/1119153232.db2.gz HKTASABIQCTSPP-NSHDSACASA-N 0 1 284.494 3.984 20 0 CHADMN COC[C@H]1CCCN1Cc1cc(C)cc(C(F)(F)F)c1 ZINC001143447676 1119215214 /nfs/dbraw/zinc/21/52/14/1119215214.db2.gz GAANTJIKJIJDEY-CQSZACIVSA-N 0 1 287.325 3.625 20 0 CHADMN CC(C)c1nnc(CN[C@H]2C[C@H](C)CC[C@@H]2C(C)C)o1 ZINC000245938595 1119386040 /nfs/dbraw/zinc/38/60/40/1119386040.db2.gz JLCLQEKGMYLJCV-MCIONIFRSA-N 0 1 279.428 3.743 20 0 CHADMN C[C@@H](NCc1csc(COc2ccccc2)n1)C1CC1 ZINC000113314757 1125493867 /nfs/dbraw/zinc/49/38/67/1125493867.db2.gz MTXCWGZJOKTVCH-GFCCVEGCSA-N 0 1 288.416 3.610 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])cs2)Cc2ccccc21 ZINC001594537707 986162858 /nfs/dbraw/zinc/16/28/58/986162858.db2.gz XTFRMKSETOSTFW-LLVKDONJSA-N 0 1 287.384 3.566 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(C(C)(C)C)on2)[C@@H]1C ZINC000685565056 1119632163 /nfs/dbraw/zinc/63/21/63/1119632163.db2.gz BBIAYSPCBZHQFY-VXGBXAGGSA-N 0 1 250.386 3.593 20 0 CHADMN Cc1oncc1CN(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000132043776 1125498948 /nfs/dbraw/zinc/49/89/48/1125498948.db2.gz VVQXJUFLWQHGTF-KRWDZBQOSA-N 0 1 299.418 3.914 20 0 CHADMN CCS[C@H]1CCCC[C@@H]1Nc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC001597258450 987268410 /nfs/dbraw/zinc/26/84/10/987268410.db2.gz MNKPERVJOPBGQD-STQMWFEESA-N 0 1 294.420 3.564 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@H](C)c2csc(C)n2)C12CCCC2 ZINC000359978241 1125499688 /nfs/dbraw/zinc/49/96/88/1125499688.db2.gz YXSSQGFJLYDDAB-KCPJHIHWSA-N 0 1 294.464 3.840 20 0 CHADMN CCc1[nH]c(C[N@H+]([C@@H](C)[C@H](C)CC)C2CC2)cc1C(=O)[O-] ZINC001597380771 987578679 /nfs/dbraw/zinc/57/86/79/987578679.db2.gz XZPXILWGIYKVPU-NEPJUHHUSA-N 0 1 292.423 3.674 20 0 CHADMN CCc1[nH]c(C[N@H+]2CC[C@H](CC(C)(C)C)C2)cc1C(=O)[O-] ZINC001597384947 987591916 /nfs/dbraw/zinc/59/19/16/987591916.db2.gz OZRGCSODFJVDBX-GFCCVEGCSA-N 0 1 292.423 3.533 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC001589732404 987960626 /nfs/dbraw/zinc/96/06/26/987960626.db2.gz KRSYZJMSGXFGSG-DOMZBBRYSA-N 0 1 293.382 3.710 20 0 CHADMN COC(=O)c1cnc([C@H](C)N[C@@H](C)CCC=C(C)C)s1 ZINC000414151477 1119917446 /nfs/dbraw/zinc/91/74/46/1119917446.db2.gz QCQKEYMDUCTTRW-RYUDHWBXSA-N 0 1 296.436 3.715 20 0 CHADMN CCN(Cc1c(F)ccc(C)c1Cl)C1CCOCC1 ZINC001138027771 1131454629 /nfs/dbraw/zinc/45/46/29/1131454629.db2.gz IFUADVUCYIDRTC-UHFFFAOYSA-N 0 1 285.790 3.788 20 0 CHADMN CCc1oc(C[N@H+]2C[C@H](C(C)C)[C@H]2C(C)C)cc1C(=O)[O-] ZINC001597796379 989354430 /nfs/dbraw/zinc/35/44/30/989354430.db2.gz NIRCNLKUBNYFCZ-GDBMZVCRSA-N 0 1 293.407 3.653 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cc3nc(C(C)C)no3)C2)c(C)c1 ZINC000348305397 1125506590 /nfs/dbraw/zinc/50/65/90/1125506590.db2.gz KCWRXEITMORPPC-OAHLLOKOSA-N 0 1 299.418 3.799 20 0 CHADMN CC(C)[C@@H]1[N@@H+](Cc2ccc(C(=O)[O-])o2)CC12CCCCC2 ZINC001591099189 991708214 /nfs/dbraw/zinc/70/82/14/991708214.db2.gz HHRUVCQBUARDOB-HNNXBMFYSA-N 0 1 291.391 3.769 20 0 CHADMN CC(C)[C@H]1[N@@H+](Cc2ccoc2C(=O)[O-])CC12CCCCC2 ZINC001591099510 991711973 /nfs/dbraw/zinc/71/19/73/991711973.db2.gz KOPUTWNULYGOBS-OAHLLOKOSA-N 0 1 291.391 3.769 20 0 CHADMN C[N@@H+](C[C@H]1CCCC[C@@H]1C(=O)[O-])C1CCC(C)(C)CC1 ZINC001598455924 991935795 /nfs/dbraw/zinc/93/57/95/991935795.db2.gz QJTCOVNPGFZNAM-HIFRSBDPSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)C[C@@H]1CCCCC[N@H+]1Cc1ncc(C(=O)[O-])s1 ZINC001591206350 992034069 /nfs/dbraw/zinc/03/40/69/992034069.db2.gz SNAYXAAMNUXCGS-LBPRGKRZSA-N 0 1 296.436 3.632 20 0 CHADMN CC(C)CC[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001591229195 992110183 /nfs/dbraw/zinc/11/01/83/992110183.db2.gz WELUOHFQBCTTHI-AWEZNQCLSA-N 0 1 278.396 3.504 20 0 CHADMN CC(C)CC[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC001591229218 992110193 /nfs/dbraw/zinc/11/01/93/992110193.db2.gz WHWHRMHOQXAQNS-MRXNPFEDSA-N 0 1 290.407 3.571 20 0 CHADMN C[N@@H+](Cc1cc(C(=O)[O-])co1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001598507927 992531532 /nfs/dbraw/zinc/53/15/32/992531532.db2.gz XAUUWJAYKTXADT-SJORKVTESA-N 0 1 299.370 3.746 20 0 CHADMN C[C@H](c1ccccc1)[C@H](C)N[C@H]1CCCC1(F)F ZINC000672621892 1120336298 /nfs/dbraw/zinc/33/62/98/1120336298.db2.gz NBCJJHLRYXHJKP-OBJOEFQTSA-N 0 1 253.336 3.956 20 0 CHADMN Cc1csc(CNCc2cc(C)cnc2Cl)c1 ZINC000922158490 1120398096 /nfs/dbraw/zinc/39/80/96/1120398096.db2.gz JKFZWXXFSCWFPE-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN C=Cn1cc(CNC(C)(C)c2cccc(Cl)c2)cn1 ZINC000194324633 1120401145 /nfs/dbraw/zinc/40/11/45/1120401145.db2.gz LBIKXYSEVZLMMW-UHFFFAOYSA-N 0 1 275.783 3.662 20 0 CHADMN CC(C)(/C=C\Cl)NCc1ccc(C(F)F)nc1 ZINC000922645302 1120570914 /nfs/dbraw/zinc/57/09/14/1120570914.db2.gz PQWNELJVUYPXMV-WAYWQWQTSA-N 0 1 260.715 3.640 20 0 CHADMN CC(C)c1nc(CN2CC[C@H](C(C)(C)C)C[C@H]2C)n[nH]1 ZINC000428957627 1120586220 /nfs/dbraw/zinc/58/62/20/1120586220.db2.gz AHLUPHNSHRBDDJ-OLZOCXBDSA-N 0 1 278.444 3.575 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001593711119 996211800 /nfs/dbraw/zinc/21/18/00/996211800.db2.gz PRSYJHDUQMOOBK-OEYXZAGESA-N 0 1 285.343 3.570 20 0 CHADMN CN(c1nc(CN2CCCCCCC2)cs1)C1CC1 ZINC000766001187 1120609277 /nfs/dbraw/zinc/60/92/77/1120609277.db2.gz LBNBRHHWDOSFBG-UHFFFAOYSA-N 0 1 279.453 3.508 20 0 CHADMN CC1(C)C[N@H+]([C@H](C(=O)[O-])c2ccccc2)Cc2ccccc21 ZINC001593940918 996953827 /nfs/dbraw/zinc/95/38/27/996953827.db2.gz TZHCKXKMTLTHQH-KRWDZBQOSA-N 0 1 295.382 3.606 20 0 CHADMN CC1(C)c2ccccc2CC[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC001593989157 997247657 /nfs/dbraw/zinc/24/76/57/997247657.db2.gz XJTXNOASSBAKBQ-UHFFFAOYSA-N 0 1 295.382 3.678 20 0 CHADMN C[C@]1(C2CCCCC2)CC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC001593992122 997264703 /nfs/dbraw/zinc/26/47/03/997264703.db2.gz BQSBKWOYMPWIGR-MRXNPFEDSA-N 0 1 293.432 3.991 20 0 CHADMN C[C@]1(C2CCCCC2)CC[N@H+]1C[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001593992841 997276518 /nfs/dbraw/zinc/27/65/18/997276518.db2.gz PLVVBFZJSNUOEN-QGPMSJSTSA-N 0 1 293.451 3.922 20 0 CHADMN CC1CCN(CCNc2ncc(Cl)cc2Cl)CC1 ZINC000040444306 1120834779 /nfs/dbraw/zinc/83/47/79/1120834779.db2.gz SHVDZUFGWLMDAO-UHFFFAOYSA-N 0 1 288.222 3.532 20 0 CHADMN CCCCOCCN1CCC(c2ncccc2Cl)CC1 ZINC000429211096 1121056247 /nfs/dbraw/zinc/05/62/47/1121056247.db2.gz ZWMMATOFQUGGEX-UHFFFAOYSA-N 0 1 296.842 3.731 20 0 CHADMN OCCCCC[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000171142773 1121095425 /nfs/dbraw/zinc/09/54/25/1121095425.db2.gz RVMSJWZUOWHYJS-UHFFFAOYSA-N 0 1 279.405 3.506 20 0 CHADMN C[C@@H]1CCC[C@@H](CC[N@@H+](C)C2(C(=O)[O-])CCCC2)C1 ZINC001594344886 999304737 /nfs/dbraw/zinc/30/47/37/999304737.db2.gz JVNWDVMAEAPPOL-KGLIPLIRSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@H]1CCC[C@@H](CC[N@@H+](CCC(F)(F)F)CC(=O)[O-])C1 ZINC001594345319 999306186 /nfs/dbraw/zinc/30/61/86/999306186.db2.gz SBQVYVZJIOAVLW-NEPJUHHUSA-N 0 1 295.345 3.542 20 0 CHADMN C[C@@H](C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1)CC(C)(C)C ZINC000709275027 1121471139 /nfs/dbraw/zinc/47/11/39/1121471139.db2.gz COCLPVDQMXKERF-KGLIPLIRSA-N 0 1 283.456 3.882 20 0 CHADMN CC1(CN2CCO[C@H](c3ccc(Cl)cc3)C2)CCC1 ZINC000432945553 1121491426 /nfs/dbraw/zinc/49/14/26/1121491426.db2.gz SJOKFJJDTWVNRW-HNNXBMFYSA-N 0 1 279.811 3.904 20 0 CHADMN C[C@@H](O)C[C@H]1CCCN1Cc1ccc(Cl)cc1Cl ZINC000152620568 1121528196 /nfs/dbraw/zinc/52/81/96/1121528196.db2.gz OBJMPSQDJMFHKN-ZWNOBZJWSA-N 0 1 288.218 3.729 20 0 CHADMN Clc1nc(CNC2(C3CCCCC3)CC2)cs1 ZINC001176842033 1121697508 /nfs/dbraw/zinc/69/75/08/1121697508.db2.gz OBIZISWUEVRLRD-UHFFFAOYSA-N 0 1 270.829 3.999 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1cccc(CC)c1 ZINC000731864472 1121890113 /nfs/dbraw/zinc/89/01/13/1121890113.db2.gz WYPBUJWKHDKMLZ-UHFFFAOYSA-N 0 1 276.424 3.700 20 0 CHADMN Cc1ccnc(CN2CCC[C@H](C)[C@H]2C)c1Br ZINC001179858961 1121918019 /nfs/dbraw/zinc/91/80/19/1121918019.db2.gz JLJBXMIXSSBQPO-CMPLNLGQSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1cnc(CN(C(C)C)[C@H](C)c2ccsc2)cn1 ZINC000420999055 1122058828 /nfs/dbraw/zinc/05/88/28/1122058828.db2.gz BXXKSHRBKVCJTG-CYBMUJFWSA-N 0 1 275.421 3.818 20 0 CHADMN Brc1cccc2c1CCN([C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167951579 1122276449 /nfs/dbraw/zinc/27/64/49/1122276449.db2.gz KOQREPYHJGXDPI-ITGUQSILSA-N 0 1 292.220 3.606 20 0 CHADMN FC(F)(F)c1cnccc1NCC12CCC(CC1)C2 ZINC001185987306 1122368894 /nfs/dbraw/zinc/36/88/94/1122368894.db2.gz JRHQTVBNLATNOW-UHFFFAOYSA-N 0 1 270.298 3.515 20 0 CHADMN CC(C)(C(=O)NOC1CCCC1)c1cccc(Cl)c1 ZINC000775276934 1122508120 /nfs/dbraw/zinc/50/81/20/1122508120.db2.gz NJAPRXLIRAHGAM-UHFFFAOYSA-N 0 1 281.783 3.608 20 0 CHADMN CC(C)CCCSc1nc(-c2ccccc2O)n[nH]1 ZINC000436928200 1122596075 /nfs/dbraw/zinc/59/60/75/1122596075.db2.gz QTNHNIWETKPMDP-UHFFFAOYSA-N 0 1 277.393 3.706 20 0 CHADMN CCOC(=O)C1(NC[C@H]2CCCC[C@H]2C)CCCCC1 ZINC001191753114 1122612975 /nfs/dbraw/zinc/61/29/75/1122612975.db2.gz DVHKSJCNYCXPFC-HUUCEWRRSA-N 0 1 281.440 3.668 20 0 CHADMN CCCOC(=O)[C@H](C)N(Cc1ccccc1)C(C)(C)C ZINC001192052394 1122627480 /nfs/dbraw/zinc/62/74/80/1122627480.db2.gz FUJDGRAKXJIQGV-AWEZNQCLSA-N 0 1 277.408 3.629 20 0 CHADMN CC[C@H](F)CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000440573875 1123017675 /nfs/dbraw/zinc/01/76/75/1123017675.db2.gz IYJCQIXKIFMRBS-BCPZQOPPSA-N 0 1 277.368 3.815 20 0 CHADMN CC[C@@H](F)CN(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000440717716 1123034145 /nfs/dbraw/zinc/03/41/45/1123034145.db2.gz SUXIAQAAMRZMSO-LLVKDONJSA-N 0 1 279.277 3.765 20 0 CHADMN Oc1ccc(CN2CCC[C@H](CC(F)(F)F)C2)cc1F ZINC000894974349 1123095572 /nfs/dbraw/zinc/09/55/72/1123095572.db2.gz FYDYXWCKVHCRFR-LLVKDONJSA-N 0 1 291.288 3.696 20 0 CHADMN CC(C)CCn1cccc1CNCc1cnc(Cl)s1 ZINC000895156089 1123310273 /nfs/dbraw/zinc/31/02/73/1123310273.db2.gz SQWFDOSFGVRNIY-UHFFFAOYSA-N 0 1 297.855 3.934 20 0 CHADMN C[C@H](CN(C)Cc1ccns1)c1cc(F)cc(F)c1 ZINC000895451682 1123481458 /nfs/dbraw/zinc/48/14/58/1123481458.db2.gz DAEKJSUQPMTBOV-SNVBAGLBSA-N 0 1 282.359 3.657 20 0 CHADMN CC[C@@]1(C)CC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000399376781 1123565665 /nfs/dbraw/zinc/56/56/65/1123565665.db2.gz XQKSAJAJOIJPMG-AWEZNQCLSA-N 0 1 253.773 3.668 20 0 CHADMN CC[C@@]1(C)CC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000399376781 1123565668 /nfs/dbraw/zinc/56/56/68/1123565668.db2.gz XQKSAJAJOIJPMG-AWEZNQCLSA-N 0 1 253.773 3.668 20 0 CHADMN CCOc1cccc([C@H](C)N[C@@H](C)c2ccns2)c1 ZINC000858577483 1123665024 /nfs/dbraw/zinc/66/50/24/1123665024.db2.gz QFMPKZQKHMZQLO-RYUDHWBXSA-N 0 1 276.405 3.954 20 0 CHADMN CC(C)c1ncc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)s1 ZINC000862444325 1123811840 /nfs/dbraw/zinc/81/18/40/1123811840.db2.gz VMPZISHMHVGGJX-PHIMTYICSA-N 0 1 288.407 3.990 20 0 CHADMN CCC[C@@H](NCc1cc(C)oc1C)c1ccccn1 ZINC000119842792 1123917815 /nfs/dbraw/zinc/91/78/15/1123917815.db2.gz GQMQYPDPPMHELL-OAHLLOKOSA-N 0 1 258.365 3.922 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccc(Cl)cn1 ZINC000866449416 1124066434 /nfs/dbraw/zinc/06/64/34/1124066434.db2.gz BODGKJMAPQLEOS-SUZMYJTESA-N 0 1 256.752 3.666 20 0 CHADMN Cc1ccc(CN2CCOCC3(CCC3)C2)cc1Cl ZINC000446760177 1124122188 /nfs/dbraw/zinc/12/21/88/1124122188.db2.gz ROOFYLBAUNZIOJ-UHFFFAOYSA-N 0 1 279.811 3.651 20 0 CHADMN C[C@H](O)C[C@@H]1CCCCN1Cc1ccc(F)cc1Cl ZINC000123702802 1124619713 /nfs/dbraw/zinc/61/97/13/1124619713.db2.gz KHFWCDFGXWWOPO-FZMZJTMJSA-N 0 1 285.790 3.605 20 0 CHADMN COc1cccc(CN(C)Cc2csc(C)c2)c1 ZINC000449003825 1124631691 /nfs/dbraw/zinc/63/16/91/1124631691.db2.gz TYLNENABKZWLAO-UHFFFAOYSA-N 0 1 261.390 3.697 20 0 CHADMN C/C(Cl)=C/CN(C)[C@@H]1CCCc2nc(C)sc21 ZINC000528420488 1124661918 /nfs/dbraw/zinc/66/19/18/1124661918.db2.gz VKHFGKTWKTYUFJ-ZVTBTPLYSA-N 0 1 270.829 3.903 20 0 CHADMN Cc1ccc(F)c(CN2CCC(C)(C)CC2)c1F ZINC001138118688 1131468850 /nfs/dbraw/zinc/46/88/50/1131468850.db2.gz PROCMOIXYBRBSA-UHFFFAOYSA-N 0 1 253.336 3.895 20 0 CHADMN CC(C)[C@H]1[N@@H+](Cc2cncs2)CC12CCCC2 ZINC000449793784 1124875131 /nfs/dbraw/zinc/87/51/31/1124875131.db2.gz YEFBZOPRMZVRGZ-CYBMUJFWSA-N 0 1 250.411 3.544 20 0 CHADMN FC1(F)CCCC[C@H]1CSc1nc(C2CC2)n[nH]1 ZINC000450763282 1125099251 /nfs/dbraw/zinc/09/92/51/1125099251.db2.gz VVFXOYAKUVVGDC-VIFPVBQESA-N 0 1 273.352 3.600 20 0 CHADMN FC1(F)CCCC[C@H]1CSc1n[nH]c(C2CC2)n1 ZINC000450763282 1125099258 /nfs/dbraw/zinc/09/92/58/1125099258.db2.gz VVFXOYAKUVVGDC-VIFPVBQESA-N 0 1 273.352 3.600 20 0 CHADMN CC[C@@H](NC[C@H]1CCCC(C)(C)O1)c1nc(C)cs1 ZINC000878408084 1125149809 /nfs/dbraw/zinc/14/98/09/1125149809.db2.gz JMIZZZCZBJDWJY-CHWSQXEVSA-N 0 1 282.453 3.840 20 0 CHADMN CCN(Cc1c(F)cccc1Cl)[C@@H]1CCO[C@H](C)C1 ZINC001168139572 1125225305 /nfs/dbraw/zinc/22/53/05/1125225305.db2.gz UDIRHHUXJKBVSW-VXGBXAGGSA-N 0 1 285.790 3.869 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc(F)c1)c1cncs1 ZINC000128080824 1125241070 /nfs/dbraw/zinc/24/10/70/1125241070.db2.gz LLRHPRHBNZOTIA-NXEZZACHSA-N 0 1 250.342 3.694 20 0 CHADMN CCC1(CC)CCCN1Cc1nnc(C(C)C)s1 ZINC000880094030 1125249728 /nfs/dbraw/zinc/24/97/28/1125249728.db2.gz UAWCZXLGTRZKCB-UHFFFAOYSA-N 0 1 267.442 3.816 20 0 CHADMN C[C@@H](c1nc(CCC(C)(C)C)no1)N1[C@H](C)CC[C@@H]1C ZINC000508640381 1125290145 /nfs/dbraw/zinc/29/01/45/1125290145.db2.gz ZXDAGAXJKFISKY-XQQFMLRXSA-N 0 1 279.428 3.982 20 0 CHADMN Cc1csc(CN2CCC(=O)[C@@H](C)C23CCCC3)c1 ZINC001137161845 1125297949 /nfs/dbraw/zinc/29/79/49/1125297949.db2.gz YCEMQCUAYCWRSD-CYBMUJFWSA-N 0 1 277.433 3.780 20 0 CHADMN CSCCN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000171036292 1125399926 /nfs/dbraw/zinc/39/99/26/1125399926.db2.gz AWHKXAIHPKGTIK-GFCCVEGCSA-N 0 1 278.446 3.796 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN(C)[C@@H](C)CC ZINC000037641751 1125428431 /nfs/dbraw/zinc/42/84/31/1125428431.db2.gz KABUBUCTOIKUBT-LBPRGKRZSA-N 0 1 263.381 3.518 20 0 CHADMN CC(C)CC[C@@H]1CCCN1Cc1nc(C(C)(C)C)no1 ZINC000532623587 1125428439 /nfs/dbraw/zinc/42/84/39/1125428439.db2.gz PCGNWKUQJZJLCA-ZDUSSCGKSA-N 0 1 279.428 3.768 20 0 CHADMN Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001143767679 1131530915 /nfs/dbraw/zinc/53/09/15/1131530915.db2.gz HNKDAEIJHIHALX-JTQLQIEISA-N 0 1 275.289 3.750 20 0 CHADMN Cc1c(F)cc(F)cc1CN1CCC[C@H](C(F)F)C1 ZINC001143767679 1131530918 /nfs/dbraw/zinc/53/09/18/1131530918.db2.gz HNKDAEIJHIHALX-JTQLQIEISA-N 0 1 275.289 3.750 20 0 CHADMN CCCCc1nc(Cl)c(CN2CCC[C@H]2CC)[nH]1 ZINC001139181151 1131592395 /nfs/dbraw/zinc/59/23/95/1131592395.db2.gz KTJRUDMMSDVSHW-LLVKDONJSA-N 0 1 269.820 3.780 20 0 CHADMN Cc1cccc(Br)c1O[C@H]1CCN(C(C)C)C1 ZINC001227806752 1131746735 /nfs/dbraw/zinc/74/67/35/1131746735.db2.gz YHDISPPZBQBFSY-LBPRGKRZSA-N 0 1 298.224 3.619 20 0 CHADMN CC(=O)C1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000846953765 1131764054 /nfs/dbraw/zinc/76/40/54/1131764054.db2.gz QAKVZDYGRRMJBS-NSHDSACASA-N 0 1 265.784 3.702 20 0 CHADMN CC[C@H](N[C@H](C)c1ccns1)c1ccccc1OC ZINC000715931470 1131995432 /nfs/dbraw/zinc/99/54/32/1131995432.db2.gz LGNGQLLCDYACMJ-YPMHNXCESA-N 0 1 276.405 3.954 20 0 CHADMN COc1cc(CN[C@H](C)c2ccns2)ccc1Cl ZINC000715980192 1132007300 /nfs/dbraw/zinc/00/73/00/1132007300.db2.gz XHXYDSFLUVWVQE-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN CC(C)(C)N1CC(Oc2ccc3sccc3c2)C1 ZINC001229123962 1132023709 /nfs/dbraw/zinc/02/37/09/1132023709.db2.gz HORFNHDZKYHAKS-UHFFFAOYSA-N 0 1 261.390 3.763 20 0 CHADMN COc1cc(Cl)ncc1CN1CCC[C@H](C)[C@@H](C)C1 ZINC001141333407 1132089076 /nfs/dbraw/zinc/08/90/76/1132089076.db2.gz AWOYMIXBZXDHQJ-RYUDHWBXSA-N 0 1 282.815 3.612 20 0 CHADMN CC(C)(C)CCCN(CC(=O)OC(C)(C)C)CC1CC1 ZINC001171756408 1132089423 /nfs/dbraw/zinc/08/94/23/1132089423.db2.gz JCTVTWYXHYSTQB-UHFFFAOYSA-N 0 1 283.456 3.866 20 0 CHADMN CCCCCC[C@@H](CCC)N[C@H]1CCSC1=O ZINC001172378295 1132169497 /nfs/dbraw/zinc/16/94/97/1132169497.db2.gz KCKGXGXPENLUDP-OLZOCXBDSA-N 0 1 257.443 3.747 20 0 CHADMN CCOc1ccc(CN2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000170717157 1132285325 /nfs/dbraw/zinc/28/53/25/1132285325.db2.gz JTUVRJXZRRMIEA-ZDUSSCGKSA-N 0 1 287.325 3.860 20 0 CHADMN CCCCCN(C)Cc1coc(-c2ccccc2)n1 ZINC001231627686 1132329766 /nfs/dbraw/zinc/32/97/66/1132329766.db2.gz IPQHCJQJHZNZDV-UHFFFAOYSA-N 0 1 258.365 3.964 20 0 CHADMN CN(Cc1cccc(F)c1)Cc1ccc(Cl)c(O)c1 ZINC001231733536 1132352093 /nfs/dbraw/zinc/35/20/93/1132352093.db2.gz XPIKLKMTJCKNNZ-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN CCN(CC)Cc1c(SC(C)C)nc2sccn12 ZINC001231774648 1132358576 /nfs/dbraw/zinc/35/85/76/1132358576.db2.gz VSLXNOCZKXYBMX-UHFFFAOYSA-N 0 1 283.466 3.738 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1ccns1 ZINC001232192505 1132434043 /nfs/dbraw/zinc/43/40/43/1132434043.db2.gz LOPMOAZGOWUQQZ-OAHLLOKOSA-N 0 1 258.390 3.653 20 0 CHADMN CC[C@@H]1CC[C@H](NC2(c3ccc(Cl)cc3)COC2)C1 ZINC001173265669 1132431788 /nfs/dbraw/zinc/43/17/88/1132431788.db2.gz IGADCUDZRCSYKG-DOMZBBRYSA-N 0 1 279.811 3.734 20 0 CHADMN Clc1csc(CN2CCC3(CCCO3)CC2)c1 ZINC001232281768 1132449502 /nfs/dbraw/zinc/44/95/02/1132449502.db2.gz QOUNOOUTQXIEBE-UHFFFAOYSA-N 0 1 271.813 3.547 20 0 CHADMN COC(C)(C)[C@@H]1CCCN1Cc1ccc(C(F)(F)F)o1 ZINC001232445649 1132471658 /nfs/dbraw/zinc/47/16/58/1132471658.db2.gz VCHXTJWCTYMLTI-NSHDSACASA-N 0 1 291.313 3.688 20 0 CHADMN CCOc1ccc(CN2CCC[C@H]2CC)c(F)c1F ZINC001143276902 1132527781 /nfs/dbraw/zinc/52/77/81/1132527781.db2.gz XVLNVPWASLMZNT-GFCCVEGCSA-N 0 1 269.335 3.738 20 0 CHADMN CCOc1ccc(CN(C)CCC2CC2)c(F)c1F ZINC001143278740 1132527930 /nfs/dbraw/zinc/52/79/30/1132527930.db2.gz NGDPTYGKNPNIRA-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cc(O)cc(Br)c1 ZINC001232996181 1132561149 /nfs/dbraw/zinc/56/11/49/1132561149.db2.gz CPFYGAQPMSMCSB-LLVKDONJSA-N 0 1 298.224 3.919 20 0 CHADMN CC(C)Oc1ncc(Cl)cc1CN(C)CC1CCC1 ZINC001233167250 1132576158 /nfs/dbraw/zinc/57/61/58/1132576158.db2.gz PCYVEHRLSVSBTB-UHFFFAOYSA-N 0 1 282.815 3.754 20 0 CHADMN CC[C@H]1CCCCN1Cc1ccc(OC)c(O)c1Cl ZINC001233401111 1132617754 /nfs/dbraw/zinc/61/77/54/1132617754.db2.gz MHSWHBQLZFYHAG-LBPRGKRZSA-N 0 1 283.799 3.819 20 0 CHADMN C[C@@H](Oc1n[nH]c(=O)cc1Cl)c1cccc(Cl)c1 ZINC001233591893 1132644107 /nfs/dbraw/zinc/64/41/07/1132644107.db2.gz ZXAARDXSSPTOGP-SSDOTTSWSA-N 0 1 285.130 3.629 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)CC[C@@H]1O ZINC001203804306 1133371763 /nfs/dbraw/zinc/37/17/63/1133371763.db2.gz OYIGRGDAQZHKIN-YGRLFVJLSA-N 0 1 288.218 3.586 20 0 CHADMN CCCCC1CCN(Cc2nc(C)cs2)CC1 ZINC001204375932 1133440662 /nfs/dbraw/zinc/44/06/62/1133440662.db2.gz CQHOCKIVGDAEMD-UHFFFAOYSA-N 0 1 252.427 3.854 20 0 CHADMN FC(F)(F)Oc1ccccc1CN1CCC2(CC2)C1 ZINC001204423933 1133445170 /nfs/dbraw/zinc/44/51/70/1133445170.db2.gz ARMPQTAWWFPSEW-UHFFFAOYSA-N 0 1 271.282 3.571 20 0 CHADMN COc1nsc(CN(CC2CC2)C2CCC2)c1Cl ZINC001205526615 1133584944 /nfs/dbraw/zinc/58/49/44/1133584944.db2.gz BOHJXYIJFWLEQL-UHFFFAOYSA-N 0 1 286.828 3.570 20 0 CHADMN Cc1c(Cl)ccc(-c2nccc3c2CCN3)c1F ZINC001206267169 1133679610 /nfs/dbraw/zinc/67/96/10/1133679610.db2.gz ZQGXLRADILUBIU-UHFFFAOYSA-N 0 1 262.715 3.818 20 0 CHADMN CC1=C[C@H](C)[C@@H](CN2CCC(F)(F)[C@@H](F)C2)CC1 ZINC001208158769 1133890964 /nfs/dbraw/zinc/89/09/64/1133890964.db2.gz BVWPWEWVGDKKPB-XQQFMLRXSA-N 0 1 261.331 3.658 20 0 CHADMN CC[C@@H]1CCCN1Cc1ccc(Cl)c(OC)c1F ZINC001209698199 1134051480 /nfs/dbraw/zinc/05/14/80/1134051480.db2.gz AZKYHPQUAYMIRS-LLVKDONJSA-N 0 1 271.763 3.862 20 0 CHADMN Cc1ncccc1Nc1ccc(Cl)c(O)c1F ZINC001214791099 1134573380 /nfs/dbraw/zinc/57/33/80/1134573380.db2.gz LBSPUZOQBLFHRR-UHFFFAOYSA-N 0 1 252.676 3.632 20 0 CHADMN CCc1ccc(Nc2ccc(Cl)c(O)c2F)cn1 ZINC001214796492 1134573999 /nfs/dbraw/zinc/57/39/99/1134573999.db2.gz YKSDZUCJEPPXRG-UHFFFAOYSA-N 0 1 266.703 3.886 20 0 CHADMN C[C@@H]1CC[C@H]([NH2+]Cc2ccc([O-])c(Cl)c2)C[C@H]1C ZINC000251813742 1125510549 /nfs/dbraw/zinc/51/05/49/1125510549.db2.gz MNIHBFSSSAZGPB-WZRBSPASSA-N 0 1 267.800 3.960 20 0 CHADMN CCN(Cc1ccccc1C)C(=O)c1cc(C(C)C)[nH]n1 ZINC000052514209 1125516615 /nfs/dbraw/zinc/51/66/15/1125516615.db2.gz RSCBVLCQIXOLNG-UHFFFAOYSA-N 0 1 285.391 3.504 20 0 CHADMN CS[C@@H]1CCCCN(Cc2nc3ccc(F)cc3o2)C1 ZINC000134551198 1125518974 /nfs/dbraw/zinc/51/89/74/1125518974.db2.gz UHUMFAKIKFQJAO-GFCCVEGCSA-N 0 1 294.395 3.684 20 0 CHADMN Clc1cccc(CCSCc2nnc[nH]2)c1Cl ZINC001118538429 1131230663 /nfs/dbraw/zinc/23/06/63/1131230663.db2.gz TVXOBJNSRXVXQY-UHFFFAOYSA-N 0 1 288.203 3.587 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1Cc1nccn1C(F)F ZINC000135328667 1125524190 /nfs/dbraw/zinc/52/41/90/1125524190.db2.gz WBDYJHOQABAELO-RYUDHWBXSA-N 0 1 271.355 3.679 20 0 CHADMN CC[C@@H](NCc1cccn1C)c1ccc(F)cc1F ZINC000119601463 1125535899 /nfs/dbraw/zinc/53/58/99/1125535899.db2.gz RLPFHJQNLAXYNK-OAHLLOKOSA-N 0 1 264.319 3.544 20 0 CHADMN CCC[C@H](C)CCC[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1 ZINC000629359847 1125541806 /nfs/dbraw/zinc/54/18/06/1125541806.db2.gz DKNIIWGUKAETAM-AWEZNQCLSA-N 0 1 295.398 3.929 20 0 CHADMN CCCc1noc(CN2CC[C@@H](c3ccc(C)cc3C)C2)n1 ZINC000348317748 1125543007 /nfs/dbraw/zinc/54/30/07/1125543007.db2.gz LETNASNGSMTULV-OAHLLOKOSA-N 0 1 299.418 3.628 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000532711450 1125545158 /nfs/dbraw/zinc/54/51/58/1125545158.db2.gz BVACSGYCWWKOOF-XHDPSFHLSA-N 0 1 297.345 3.603 20 0 CHADMN COCCN(Cc1csc(-c2ccco2)n1)CC(C)C ZINC000061190114 1125546366 /nfs/dbraw/zinc/54/63/66/1125546366.db2.gz LBIBERBUOPAAOR-UHFFFAOYSA-N 0 1 294.420 3.508 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@H](C)c2cnn(CC)c2)c1 ZINC000120593544 1125549196 /nfs/dbraw/zinc/54/91/96/1125549196.db2.gz GPXOUBJGMFSBTQ-ZIAGYGMSSA-N 0 1 287.407 3.714 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)s1 ZINC000193998021 1125550891 /nfs/dbraw/zinc/55/08/91/1125550891.db2.gz NHDMDWHGDAFCFN-SNVBAGLBSA-N 0 1 281.812 3.504 20 0 CHADMN C[C@@H](N[C@H]1CCCOc2ccccc21)c1cccc(O)c1 ZINC000194876174 1125557654 /nfs/dbraw/zinc/55/76/54/1125557654.db2.gz KDTUBMGXZITSLX-DYVFJYSZSA-N 0 1 283.371 3.957 20 0 CHADMN Cc1cc(CN2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)no1 ZINC000121379229 1125559836 /nfs/dbraw/zinc/55/98/36/1125559836.db2.gz QGBCUAIAGVMTCZ-FZMZJTMJSA-N 0 1 274.339 3.500 20 0 CHADMN CC(C)CN(Cc1nnc(C(C)(C)C)o1)CC(C)(C)C ZINC000134449643 1125563644 /nfs/dbraw/zinc/56/36/44/1125563644.db2.gz TYTPFRDYJJRZSS-UHFFFAOYSA-N 0 1 281.444 3.871 20 0 CHADMN CCc1nnc(CN2CC[C@@H](c3ccccc3)[C@@H](CC)C2)o1 ZINC000245408013 1125570468 /nfs/dbraw/zinc/57/04/68/1125570468.db2.gz FCYWJVHXSBONKB-GOEBONIOSA-N 0 1 299.418 3.648 20 0 CHADMN CCc1ccc(NCc2ccc3nc[nH]c3c2)cc1F ZINC000532784019 1125581872 /nfs/dbraw/zinc/58/18/72/1125581872.db2.gz MRUWAEFNWFUKNP-UHFFFAOYSA-N 0 1 269.323 3.877 20 0 CHADMN CC[N@@H+](CCc1nccs1)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000245791677 1125595514 /nfs/dbraw/zinc/59/55/14/1125595514.db2.gz WHKIOPWLQRBDBA-TZMCWYRMSA-N 0 1 290.432 3.924 20 0 CHADMN C[C@H]1CCN(Cc2csc(-c3ccoc3)n2)C[C@H]1C ZINC000245958146 1125599021 /nfs/dbraw/zinc/59/90/21/1125599021.db2.gz UKFHNHUAVFKMEG-NWDGAFQWSA-N 0 1 276.405 3.881 20 0 CHADMN Cc1ccc([C@H]2CCCCN2CC(=O)c2cccn2C)cc1 ZINC000533431407 1125607075 /nfs/dbraw/zinc/60/70/75/1125607075.db2.gz KLMBNSULFHCLQG-QGZVFWFLSA-N 0 1 296.414 3.743 20 0 CHADMN CC(C)(C)c1[nH]ncc1C(=O)Nc1ccc(C(F)F)cc1 ZINC000885581466 1125612271 /nfs/dbraw/zinc/61/22/71/1125612271.db2.gz BGBDVDNQEOKXBI-UHFFFAOYSA-N 0 1 293.317 3.897 20 0 CHADMN C1=CCC(NCc2csc(COc3ccccc3)n2)C1 ZINC000151986152 1125615073 /nfs/dbraw/zinc/61/50/73/1125615073.db2.gz RFMZCUUOIVBALC-UHFFFAOYSA-N 0 1 286.400 3.530 20 0 CHADMN Cc1cc(CN2CCC[C@H](c3ccccc3)CC2)no1 ZINC000066898448 1125623626 /nfs/dbraw/zinc/62/36/26/1125623626.db2.gz WMLPCJUWVKCYMN-INIZCTEOSA-N 0 1 270.376 3.753 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@H](c3ccccc3)CC2)o1 ZINC000066897676 1125623867 /nfs/dbraw/zinc/62/38/67/1125623867.db2.gz WNDVVJVHGGNMQS-CJNGLKHVSA-N 0 1 285.391 3.709 20 0 CHADMN Cc1cc(CN2CCC[C@@H](c3ccccc3)CC2)no1 ZINC000066898449 1125624277 /nfs/dbraw/zinc/62/42/77/1125624277.db2.gz WMLPCJUWVKCYMN-MRXNPFEDSA-N 0 1 270.376 3.753 20 0 CHADMN Cc1[nH]nc(CNc2ccc(OC(F)(F)F)cc2)c1C ZINC000885930893 1125626915 /nfs/dbraw/zinc/62/69/15/1125626915.db2.gz KRSPYHMEFCEMDE-UHFFFAOYSA-N 0 1 285.269 3.537 20 0 CHADMN Cc1coc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000885935655 1125628434 /nfs/dbraw/zinc/62/84/34/1125628434.db2.gz PBUPHUOFYRNSOM-SFHVURJKSA-N 0 1 299.370 3.600 20 0 CHADMN Cc1cc(NC(=O)c2cc(Cl)ccc2O)ccc1F ZINC000110325532 1125628537 /nfs/dbraw/zinc/62/85/37/1125628537.db2.gz WCAZCBLCTRCTIF-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN Cc1[nH]nc(CNc2ccc(OC3CCCC3)cc2)c1C ZINC000885933197 1125628593 /nfs/dbraw/zinc/62/85/93/1125628593.db2.gz NCHVYEFLGVQFPO-UHFFFAOYSA-N 0 1 285.391 3.960 20 0 CHADMN O=C(Nc1ccccc1F)c1cn[nH]c1-c1ccc(F)cc1 ZINC000071008389 1125632395 /nfs/dbraw/zinc/63/23/95/1125632395.db2.gz GJVDJJNDQUEQFN-UHFFFAOYSA-N 0 1 299.280 3.607 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1Cc1nc([C@@H](C)OCC)no1 ZINC000072775306 1125634912 /nfs/dbraw/zinc/63/49/12/1125634912.db2.gz AJARYHANCWYADO-MCIONIFRSA-N 0 1 295.427 3.568 20 0 CHADMN CCc1noc(CC)c1CNC/C=C/c1cccc(F)c1 ZINC000886015240 1125636517 /nfs/dbraw/zinc/63/65/17/1125636517.db2.gz YUNIUWMSCFBTLC-SOFGYWHQSA-N 0 1 288.366 3.742 20 0 CHADMN Cc1cnc([C@@H](C)NC/C=C\c2cccc(F)c2)s1 ZINC000886011098 1125636673 /nfs/dbraw/zinc/63/66/73/1125636673.db2.gz VNVACFNRMUQTQV-TXNVCOODSA-N 0 1 276.380 3.955 20 0 CHADMN Cc1coc(CNCc2ccccc2-n2nc(C)cc2C)c1 ZINC000886021501 1125637913 /nfs/dbraw/zinc/63/79/13/1125637913.db2.gz XVBKLEYWCGFXRW-UHFFFAOYSA-N 0 1 295.386 3.680 20 0 CHADMN Cc1[nH]nc(CNc2cc(C)ccc2Br)c1C ZINC000886055225 1125642141 /nfs/dbraw/zinc/64/21/41/1125642141.db2.gz VQKMNTALJRFOMA-UHFFFAOYSA-N 0 1 294.196 3.710 20 0 CHADMN CCc1nc(CN(C)[C@@H]2CCC[C@H](C)C2)cs1 ZINC000073620344 1125638565 /nfs/dbraw/zinc/63/85/65/1125638565.db2.gz HXBDKNFOWIKLLX-WCQYABFASA-N 0 1 252.427 3.716 20 0 CHADMN Cc1[nH]nc(CNc2cc(F)c(OC(C)C)c(F)c2)c1C ZINC000886059955 1125642363 /nfs/dbraw/zinc/64/23/63/1125642363.db2.gz PUFVLXJQNHSLQN-UHFFFAOYSA-N 0 1 295.333 3.704 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccccc3)[C@@H](C)C2)oc1C ZINC000246620866 1125645682 /nfs/dbraw/zinc/64/56/82/1125645682.db2.gz HDTCNARZAPKHSW-GUYCJALGSA-N 0 1 284.403 3.917 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000246536751 1125646129 /nfs/dbraw/zinc/64/61/29/1125646129.db2.gz SINPKHQUOVSFFG-ZENOOKHLSA-N 0 1 297.402 3.886 20 0 CHADMN Cc1cc([C@H](C)NCCc2ccccc2Cl)no1 ZINC000282949266 1125648499 /nfs/dbraw/zinc/64/84/99/1125648499.db2.gz ZESSZDHOIUZLMN-NSHDSACASA-N 0 1 264.756 3.530 20 0 CHADMN Cn1ccnc1Nc1cccc(F)c1OCc1ccccc1 ZINC001212019385 1125651702 /nfs/dbraw/zinc/65/17/02/1125651702.db2.gz STRSOOUEDBSVII-UHFFFAOYSA-N 0 1 297.333 3.882 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(C)co2)c(C)c1OC ZINC000886116803 1125653077 /nfs/dbraw/zinc/65/30/77/1125653077.db2.gz RHLPDXVICOGLRC-CYBMUJFWSA-N 0 1 289.375 3.764 20 0 CHADMN COC[C@H](C)N1Cc2ccccc2-c2ccccc2C1 ZINC000075683522 1125653355 /nfs/dbraw/zinc/65/33/55/1125653355.db2.gz LMXIVIWYXCYQCK-AWEZNQCLSA-N 0 1 267.372 3.704 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@H]2CC[C@H](C3CC3)O2)cs1 ZINC000886129415 1125653738 /nfs/dbraw/zinc/65/37/38/1125653738.db2.gz FBDFGJSNPWYEQL-NJZAAPMLSA-N 0 1 294.464 3.875 20 0 CHADMN Cc1[nH]nc(CNC2(c3ccccc3Cl)CCC2)c1C ZINC000886153394 1125656176 /nfs/dbraw/zinc/65/61/76/1125656176.db2.gz FFWIZWWQPBOSIG-UHFFFAOYSA-N 0 1 289.810 3.849 20 0 CHADMN Cc1n[nH]c(CN[C@H](c2ccccc2F)C(C)C)c1C ZINC000886160174 1125657638 /nfs/dbraw/zinc/65/76/38/1125657638.db2.gz LUWZEMXBYGNGFU-INIZCTEOSA-N 0 1 275.371 3.653 20 0 CHADMN c1sc(-c2ccccn2)nc1CN1CCC[C@H]2CCC[C@H]21 ZINC000247571462 1125657713 /nfs/dbraw/zinc/65/77/13/1125657713.db2.gz RVEVNLBPOPQTHV-CZUORRHYSA-N 0 1 299.443 3.970 20 0 CHADMN C[C@H]1CCN(Cc2ncc(-c3cccs3)o2)[C@H]1C ZINC000248369355 1125664241 /nfs/dbraw/zinc/66/42/41/1125664241.db2.gz WEAPKIXDGQRHOO-QWRGUYRKSA-N 0 1 262.378 3.633 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccncc2)o1 ZINC000076120900 1125668364 /nfs/dbraw/zinc/66/83/64/1125668364.db2.gz RHUNWTVRBZLIQP-BBRMVZONSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2cccnc2)o1 ZINC000076120244 1125669180 /nfs/dbraw/zinc/66/91/80/1125669180.db2.gz PVKIWWNSZZXMNW-CZUORRHYSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2ccccn2)o1 ZINC000076120323 1125669330 /nfs/dbraw/zinc/66/93/30/1125669330.db2.gz CPJCYNJCKSJRSD-CZUORRHYSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2nccnc2C)s1 ZINC000219109526 1125669887 /nfs/dbraw/zinc/66/98/87/1125669887.db2.gz BLYIDZIFYXMNGG-PWSUYJOCSA-N 0 1 261.394 3.567 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2nccn2Cc2ccccc2)C1 ZINC000076182770 1125670052 /nfs/dbraw/zinc/67/00/52/1125670052.db2.gz SHFMZJLQDIEJOL-HOTGVXAUSA-N 0 1 283.419 3.552 20 0 CHADMN C[C@@H](CC1CCCCC1)CN1CCC[C@H]1c1nncn1C ZINC000248605161 1125672157 /nfs/dbraw/zinc/67/21/57/1125672157.db2.gz JUBJMRYDVVHZEH-HOCLYGCPSA-N 0 1 290.455 3.559 20 0 CHADMN COc1ccsc1CN[C@@H]1CCc2c1cccc2F ZINC000886363849 1125672661 /nfs/dbraw/zinc/67/26/61/1125672661.db2.gz FVWNEQWELFNZCK-CYBMUJFWSA-N 0 1 277.364 3.673 20 0 CHADMN CC(=O)Oc1ccc(Nc2cc(C)nc3ccccc32)cc1 ZINC001212066453 1125680504 /nfs/dbraw/zinc/68/05/04/1125680504.db2.gz SBHUEHUGPDCTPM-UHFFFAOYSA-N 0 1 292.338 3.634 20 0 CHADMN C[C@@H](c1nc2ccccc2s1)N(C)CC[C@H]1CCCO1 ZINC000249485616 1125680128 /nfs/dbraw/zinc/68/01/28/1125680128.db2.gz UHWRMVHSVQQKQB-QWHCGFSZSA-N 0 1 290.432 3.858 20 0 CHADMN CC(C)COc1cccc(CN[C@H]2CCc3cccnc32)c1 ZINC000886511471 1125681158 /nfs/dbraw/zinc/68/11/58/1125681158.db2.gz UVQYOXVXASQWEW-SFHVURJKSA-N 0 1 296.414 3.894 20 0 CHADMN c1ccc([C@H](N[C@@H]2CCc3cccnc32)[C@@H]2CCCO2)cc1 ZINC000886517714 1125682644 /nfs/dbraw/zinc/68/26/44/1125682644.db2.gz OULJKEGNBDRYPT-AOIWGVFYSA-N 0 1 294.398 3.579 20 0 CHADMN CSc1cc(C)ccc1CN[C@@H]1CCc2cccnc21 ZINC000886538212 1125685432 /nfs/dbraw/zinc/68/54/32/1125685432.db2.gz DCIHRAVUWJAJOQ-OAHLLOKOSA-N 0 1 284.428 3.889 20 0 CHADMN Cc1nc(CN2CC[C@@H](C)[C@@H]2c2ccccc2)oc1C ZINC000886546184 1125688068 /nfs/dbraw/zinc/68/80/68/1125688068.db2.gz ZMSLKNHMSDUCLH-SJKOYZFVSA-N 0 1 270.376 3.875 20 0 CHADMN CC(C)Oc1cccc([C@H](C)N[C@@H](C)c2cn[nH]c2)c1 ZINC000284279443 1125690269 /nfs/dbraw/zinc/69/02/69/1125690269.db2.gz XHQZELRQFODDQS-STQMWFEESA-N 0 1 273.380 3.609 20 0 CHADMN Cc1ccc([C@H](C)NCc2cnc(C(C)(C)C)nc2)cc1 ZINC000284396307 1125693332 /nfs/dbraw/zinc/69/33/32/1125693332.db2.gz PNBHIOCJIXPHND-AWEZNQCLSA-N 0 1 283.419 3.933 20 0 CHADMN CC(C)(C)c1ncc(CN[C@@H]2CCc3ccccc32)cn1 ZINC000284335920 1125694779 /nfs/dbraw/zinc/69/47/79/1125694779.db2.gz LEEQAEKNTYYHKY-MRXNPFEDSA-N 0 1 281.403 3.551 20 0 CHADMN CC[C@@H](N[C@@H]1CCc2cccnc21)c1ccccc1F ZINC000886633399 1125700240 /nfs/dbraw/zinc/70/02/40/1125700240.db2.gz UXDNZUAOEYJAOX-HZPDHXFCSA-N 0 1 270.351 3.949 20 0 CHADMN C[C@H](N[C@H]1CCc2cccnc21)c1ccc2c(c1)CCCO2 ZINC000886640178 1125700985 /nfs/dbraw/zinc/70/09/85/1125700985.db2.gz TXXMJGSNUROBGR-GUYCJALGSA-N 0 1 294.398 3.745 20 0 CHADMN CCN(CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000029912117 1125701853 /nfs/dbraw/zinc/70/18/53/1125701853.db2.gz RZPOBVKJWCJNLF-UHFFFAOYSA-N 0 1 294.398 3.776 20 0 CHADMN Clc1ccc2c(c1)[C@H](N[C@@H]1CCc3cccnc31)CC2 ZINC000886644931 1125702254 /nfs/dbraw/zinc/70/22/54/1125702254.db2.gz OLOGCBORWMIORM-HZPDHXFCSA-N 0 1 284.790 3.999 20 0 CHADMN CC(C)[C@@H](NCc1ccc(C(C)(C)C)o1)c1cnn(C)c1 ZINC000886647947 1125702434 /nfs/dbraw/zinc/70/24/34/1125702434.db2.gz HJQUWDMRYUOWRY-MRXNPFEDSA-N 0 1 289.423 3.798 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](c3ncccn3)C2)s1 ZINC000886676921 1125706624 /nfs/dbraw/zinc/70/66/24/1125706624.db2.gz NYQJICSJKBCTIG-LLVKDONJSA-N 0 1 293.823 3.571 20 0 CHADMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000886694599 1125710810 /nfs/dbraw/zinc/71/08/10/1125710810.db2.gz ZEIPIVZZEDHUCS-HIDABVQQSA-N 0 1 299.393 3.520 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnccc1C)c1cccc(OC)n1 ZINC000925295487 1125721201 /nfs/dbraw/zinc/72/12/01/1125721201.db2.gz XLUIFSHYOXREQT-UKRRQHHQSA-N 0 1 285.391 3.596 20 0 CHADMN CCc1ccc(CN[C@@H]2CCc3c2cccc3F)nc1 ZINC000886928679 1125726368 /nfs/dbraw/zinc/72/63/68/1125726368.db2.gz KOXBRUZHDNOWME-QGZVFWFLSA-N 0 1 270.351 3.560 20 0 CHADMN CC(C)c1nnc(Nc2cc(Cl)nc(Cl)c2)o1 ZINC001212087370 1125727535 /nfs/dbraw/zinc/72/75/35/1125727535.db2.gz HHRHMBXWTWBSNF-UHFFFAOYSA-N 0 1 273.123 3.638 20 0 CHADMN CCC[C@H](N[C@@H](C)c1cccnc1)c1ccccn1 ZINC000678424099 1125730018 /nfs/dbraw/zinc/73/00/18/1125730018.db2.gz NUCWIDKYGRJIOS-BBRMVZONSA-N 0 1 255.365 3.669 20 0 CHADMN COC[C@H](N[C@H](C)c1cnn(C(C)C)c1)c1ccccc1 ZINC000089668910 1125737322 /nfs/dbraw/zinc/73/73/22/1125737322.db2.gz LFQKVHZDYUBXFZ-PBHICJAKSA-N 0 1 287.407 3.502 20 0 CHADMN CSCCN[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000089920976 1125738280 /nfs/dbraw/zinc/73/82/80/1125738280.db2.gz OOOUJURCARFQGX-HNNXBMFYSA-N 0 1 292.835 3.777 20 0 CHADMN C[C@H](CN[C@H](C)c1nccs1)Oc1ccccc1Cl ZINC000090116815 1125738903 /nfs/dbraw/zinc/73/89/03/1125738903.db2.gz KBMACGZMBOOOKO-GHMZBOCLSA-N 0 1 296.823 3.915 20 0 CHADMN NC1(c2noc(/C=C/c3ccc(Cl)s3)n2)CCCC1 ZINC000261875554 1125745634 /nfs/dbraw/zinc/74/56/34/1125745634.db2.gz VRDBJASUYPZNEV-GQCTYLIASA-N 0 1 295.795 3.683 20 0 CHADMN COc1cc(C)cc(CN[C@H](C)c2cnn(C(C)C)c2)c1 ZINC000090724135 1125745742 /nfs/dbraw/zinc/74/57/42/1125745742.db2.gz OYAFCLGTLYZBIA-CQSZACIVSA-N 0 1 287.407 3.632 20 0 CHADMN COc1cc(F)cc(CN[C@@H](C)c2cc(F)cc(F)c2)c1 ZINC000090972415 1125746578 /nfs/dbraw/zinc/74/65/78/1125746578.db2.gz KMQRVONXTZQILE-JTQLQIEISA-N 0 1 295.304 3.963 20 0 CHADMN C[C@@H](Cc1nc(C2(N)CCCC2)no1)C1CCCCC1 ZINC000261854062 1125747172 /nfs/dbraw/zinc/74/71/72/1125747172.db2.gz TUZBMJGCTYHLBQ-LBPRGKRZSA-N 0 1 277.412 3.557 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@H]2NCc1cccc(N(C)C)n1 ZINC000090852264 1125747194 /nfs/dbraw/zinc/74/71/94/1125747194.db2.gz DKHVUNWTRIFRSB-RHSMWYFYSA-N 0 1 295.430 3.794 20 0 CHADMN CC[C@@H](C)N[C@H](c1ccccn1)c1ccccc1OC ZINC000090913050 1125747337 /nfs/dbraw/zinc/74/73/37/1125747337.db2.gz YHOTYQLAHBSXQG-DYVFJYSZSA-N 0 1 270.376 3.568 20 0 CHADMN CC[C@H](CSC)N(C)Cc1csc(-c2ccoc2)n1 ZINC000091098054 1125748200 /nfs/dbraw/zinc/74/82/00/1125748200.db2.gz OPXDVHJOJFPBCF-CYBMUJFWSA-N 0 1 296.461 3.977 20 0 CHADMN CCOC(=O)c1ccc(CNC2(c3ccccc3)CCC2)o1 ZINC000091596671 1125749377 /nfs/dbraw/zinc/74/93/77/1125749377.db2.gz BBHOBYOABSQRLE-UHFFFAOYSA-N 0 1 299.370 3.625 20 0 CHADMN Cc1ccc(S[C@@H](C)c2nc(C3(N)CCC3)no2)cc1 ZINC000261993983 1125749487 /nfs/dbraw/zinc/74/94/87/1125749487.db2.gz SQMGMIGCIKSASY-NSHDSACASA-N 0 1 289.404 3.569 20 0 CHADMN CC[C@H](N[C@@H](C)c1nc2ccccc2n1C)c1ccncc1 ZINC000091346557 1125749548 /nfs/dbraw/zinc/74/95/48/1125749548.db2.gz HLIKXUXDHHLWBG-ZFWWWQNUSA-N 0 1 294.402 3.770 20 0 CHADMN CSc1cc(C)cc(CN2CC3(C2)C[C@@H](F)CS3)c1 ZINC001238683812 1131231481 /nfs/dbraw/zinc/23/14/81/1131231481.db2.gz VRYUFAHYZRDQMD-CYBMUJFWSA-N 0 1 297.464 3.746 20 0 CHADMN Cc1ccc(C)c([C@H](C)N(C)Cc2cnc(N)s2)c1 ZINC000262066052 1125751092 /nfs/dbraw/zinc/75/10/92/1125751092.db2.gz RQLKPZKHLNLKNP-LBPRGKRZSA-N 0 1 275.421 3.535 20 0 CHADMN CN(CCCF)Cc1c(Cl)ccc2cccnc21 ZINC000887139012 1125751371 /nfs/dbraw/zinc/75/13/71/1125751371.db2.gz WHIXMLXBTPJCDT-UHFFFAOYSA-N 0 1 266.747 3.680 20 0 CHADMN Cc1ccccc1O[C@H](C)CN[C@@H](C)c1nccs1 ZINC000091729854 1125751531 /nfs/dbraw/zinc/75/15/31/1125751531.db2.gz HRYGQMDNXUNVTR-OLZOCXBDSA-N 0 1 276.405 3.570 20 0 CHADMN Cc1noc(C)c1CN1CC=C(c2cccc(C)c2)CC1 ZINC000092821847 1125762772 /nfs/dbraw/zinc/76/27/72/1125762772.db2.gz KJPVCMUQCFPYNA-UHFFFAOYSA-N 0 1 282.387 3.889 20 0 CHADMN CCc1nc(C)c([C@H](C)N(C)Cc2cccn2C)s1 ZINC000093612649 1125769945 /nfs/dbraw/zinc/76/99/45/1125769945.db2.gz MEFJNXIBAZVOPB-LBPRGKRZSA-N 0 1 277.437 3.545 20 0 CHADMN Cc1nnsc1CN[C@@H]1CCC(C)(C)c2ccccc21 ZINC000293670610 1129179308 /nfs/dbraw/zinc/17/93/08/1129179308.db2.gz MNYRMKCLJGLZHY-CQSZACIVSA-N 0 1 287.432 3.749 20 0 CHADMN Nc1c(F)cccc1CN[C@H]1CCSc2ccccc21 ZINC000638284657 1129252934 /nfs/dbraw/zinc/25/29/34/1129252934.db2.gz SHNZLUISQSZUMQ-AWEZNQCLSA-N 0 1 288.391 3.735 20 0 CHADMN COc1cc(CN[C@H](C)c2ccccc2)c(Cl)cc1O ZINC000638293546 1129253007 /nfs/dbraw/zinc/25/30/07/1129253007.db2.gz LJEHFOFAYJPOTG-LLVKDONJSA-N 0 1 291.778 3.905 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CC[C@@]2(CC2(F)F)C1 ZINC001238703428 1131233638 /nfs/dbraw/zinc/23/36/38/1131233638.db2.gz VNILBMRURLRARL-OAHLLOKOSA-N 0 1 299.336 3.844 20 0 CHADMN CCOc1ccc(C)c(CN2CC[C@@H](C)[C@H](F)C2)c1 ZINC001238704715 1131234269 /nfs/dbraw/zinc/23/42/69/1131234269.db2.gz LMGVGHNCTZGLSA-CZUORRHYSA-N 0 1 265.372 3.574 20 0 CHADMN CCOc1ccc(CNCc2c(C)cccc2OC)cc1 ZINC000638420529 1129257966 /nfs/dbraw/zinc/25/79/66/1129257966.db2.gz NWAAWQLBLUWCHE-UHFFFAOYSA-N 0 1 285.387 3.692 20 0 CHADMN Cc1cc(C)c(CN2CCC[C@@H](C(F)(F)F)C2)c(C)n1 ZINC000639435638 1129314014 /nfs/dbraw/zinc/31/40/14/1129314014.db2.gz LJQHHGDGFPXYHK-CYBMUJFWSA-N 0 1 286.341 3.781 20 0 CHADMN CCC(N)=NOCC/C=C/c1ccc(Br)cc1 ZINC000735303312 1129339166 /nfs/dbraw/zinc/33/91/66/1129339166.db2.gz PFXUPUBEEOPLMJ-HWKANZROSA-N 0 1 297.196 3.761 20 0 CHADMN Cc1[nH]ncc1[C@H](C)Nc1cc(F)cc(Cl)c1 ZINC000181183468 1129542742 /nfs/dbraw/zinc/54/27/42/1129542742.db2.gz ANQZTAVULYUZLH-ZETCQYMHSA-N 0 1 253.708 3.684 20 0 CHADMN C[C@H]1C[C@H]([NH2+]Cc2ccc([O-])c(Cl)c2)C[C@@H](C)C1 ZINC000252131513 1129552307 /nfs/dbraw/zinc/55/23/07/1129552307.db2.gz MBDIACSBWBQBJD-PJXYFTJBSA-N 0 1 267.800 3.960 20 0 CHADMN Cc1cc([C@@H](C)NCc2oc(C)nc2C)c(C)s1 ZINC000382388132 1129648072 /nfs/dbraw/zinc/64/80/72/1129648072.db2.gz RGDPUOUZXGYPGV-SECBINFHSA-N 0 1 264.394 3.821 20 0 CHADMN CSc1ccc([C@H](C)NCc2oc(C)nc2C)cc1 ZINC000389270960 1129656274 /nfs/dbraw/zinc/65/62/74/1129656274.db2.gz HRWQTXWJKLKAFM-JTQLQIEISA-N 0 1 276.405 3.864 20 0 CHADMN CC(C)=C(C)CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000635926297 1129194326 /nfs/dbraw/zinc/19/43/26/1129194326.db2.gz GOOJTWCTGYFPCB-UHFFFAOYSA-N 0 1 271.719 3.870 20 0 CHADMN CCOc1ccc(Br)cc1CN1CCC[C@H]1C ZINC001138989318 1129730611 /nfs/dbraw/zinc/73/06/11/1129730611.db2.gz CIJYJCQQTLUDQS-LLVKDONJSA-N 0 1 298.224 3.832 20 0 CHADMN CCCC[C@@H](C)N(CCCC)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635967884 1129195731 /nfs/dbraw/zinc/19/57/31/1129195731.db2.gz LZKJNLLISLGYCX-RBSFLKMASA-N 0 1 291.439 3.721 20 0 CHADMN CCc1ccc(C)nc1NCc1ccc(Cl)cn1 ZINC000886158422 1129778068 /nfs/dbraw/zinc/77/80/68/1129778068.db2.gz YVKRCGOTGSAREC-UHFFFAOYSA-N 0 1 261.756 3.613 20 0 CHADMN CC(=O)CCN1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000770001796 1129935137 /nfs/dbraw/zinc/93/51/37/1129935137.db2.gz RZNZRGGXDXVSFW-OAHLLOKOSA-N 0 1 265.784 3.846 20 0 CHADMN CC(C)C[N@@H+](C[C@H]1CCCC[C@@H]1C)CC(C)(C)C(=O)[O-] ZINC000901840896 1129959031 /nfs/dbraw/zinc/95/90/31/1129959031.db2.gz QIPAINAYFNXHTM-LSDHHAIUSA-N 0 1 283.456 3.882 20 0 CHADMN CCC[C@H](NCc1cn(CC)cn1)c1ccccc1 ZINC000902034186 1129972984 /nfs/dbraw/zinc/97/29/84/1129972984.db2.gz HYLRXUMKJGNXFM-INIZCTEOSA-N 0 1 257.381 3.534 20 0 CHADMN CO[C@@H](CSCc1[nH]ncc1C)c1ccc(Cl)cc1 ZINC000902388615 1130005628 /nfs/dbraw/zinc/00/56/28/1130005628.db2.gz VWPHETWZDYHBEU-AWEZNQCLSA-N 0 1 296.823 3.992 20 0 CHADMN CC(C)c1cccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)c1 ZINC000621916731 1129205917 /nfs/dbraw/zinc/20/59/17/1129205917.db2.gz WONTTWIRLNJNKX-UHFFFAOYSA-N 0 1 297.280 3.804 20 0 CHADMN FC(F)(F)Oc1ccc2c(c1)nccc2N1CC=CCC1 ZINC000899876035 1126706746 /nfs/dbraw/zinc/70/67/46/1126706746.db2.gz JFLBZDXMZLPBDF-UHFFFAOYSA-N 0 1 294.276 3.900 20 0 CHADMN COc1c(Br)cccc1CN1CCC[C@H](C)C1 ZINC000481692095 1126706223 /nfs/dbraw/zinc/70/62/23/1126706223.db2.gz DQTZRAIHTKUCRQ-NSHDSACASA-N 0 1 298.224 3.690 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@H]1CCCc2nn(C)cc21 ZINC000338009148 1126708811 /nfs/dbraw/zinc/70/88/11/1126708811.db2.gz IBWXUIKHOXWDBN-CJNGLKHVSA-N 0 1 299.418 3.547 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2nn(C)cc21)c1ccccc1OC ZINC000338009981 1126709613 /nfs/dbraw/zinc/70/96/13/1126709613.db2.gz CAQVLJDOGJEGIH-CVEARBPZSA-N 0 1 299.418 3.547 20 0 CHADMN C[C@@H](N[C@H](C)c1ccncc1F)c1cccs1 ZINC000338012502 1126709685 /nfs/dbraw/zinc/70/96/85/1126709685.db2.gz BDPILGUXNBUSID-NXEZZACHSA-N 0 1 250.342 3.694 20 0 CHADMN CN(CCC1CC1)Cc1ncc(-c2ccccc2F)o1 ZINC000135301584 1126716067 /nfs/dbraw/zinc/71/60/67/1126716067.db2.gz QZWLJKKQDXJAPU-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN CSC[C@@H]1CCCN1Cc1cc(-c2cccs2)on1 ZINC000135462563 1126718696 /nfs/dbraw/zinc/71/86/96/1126718696.db2.gz QWNMPWNEKZAKDN-LBPRGKRZSA-N 0 1 294.445 3.731 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1C[C@@H](C)OC2(CCC2)C1 ZINC000567810755 1126719104 /nfs/dbraw/zinc/71/91/04/1126719104.db2.gz FUJGTPNVYYIICI-CHWSQXEVSA-N 0 1 263.356 3.530 20 0 CHADMN c1sc2ccccc2c1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000338208272 1126723491 /nfs/dbraw/zinc/72/34/91/1126723491.db2.gz UCNIZPLDGBLOAW-HUUCEWRRSA-N 0 1 273.401 3.655 20 0 CHADMN c1sc2ccccc2c1CN1CCO[C@@H]2CCC[C@H]21 ZINC000338208272 1126723493 /nfs/dbraw/zinc/72/34/93/1126723493.db2.gz UCNIZPLDGBLOAW-HUUCEWRRSA-N 0 1 273.401 3.655 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCC(C(F)F)CC1 ZINC000481834648 1126721147 /nfs/dbraw/zinc/72/11/47/1126721147.db2.gz KEASAWXJPYVXAD-UHFFFAOYSA-N 0 1 280.293 3.855 20 0 CHADMN C1CCC(c2noc([C@@H]3NCC[C@@H]4CCCC[C@H]34)n2)C1 ZINC000899997801 1126722408 /nfs/dbraw/zinc/72/24/08/1126722408.db2.gz ISFWOBPQVNKLTL-FPMFFAJLSA-N 0 1 275.396 3.568 20 0 CHADMN c1ccc(Cc2noc([C@@H]3NCC[C@@H]4CCCC[C@H]34)n2)cc1 ZINC000899995255 1126722439 /nfs/dbraw/zinc/72/24/39/1126722439.db2.gz XNZCWEMHYWLCBE-YQQAZPJKSA-N 0 1 297.402 3.501 20 0 CHADMN CCS[C@H]1CCC[C@@H]1NCc1nc2cc(F)ccc2o1 ZINC000348468762 1126722513 /nfs/dbraw/zinc/72/25/13/1126722513.db2.gz KZMKDRSVTWJWNE-FZMZJTMJSA-N 0 1 294.395 3.731 20 0 CHADMN COc1ccc(CN(Cc2ccc(F)cc2)C(C)C)nc1 ZINC000338232364 1126725894 /nfs/dbraw/zinc/72/58/94/1126725894.db2.gz DSKRQXCJLKXULG-UHFFFAOYSA-N 0 1 288.366 3.640 20 0 CHADMN CCN(Cc1ccc(OC)cn1)[C@@H](C)c1ccc(F)cc1 ZINC000338236333 1126726239 /nfs/dbraw/zinc/72/62/39/1126726239.db2.gz UKBCHJVRVCNNEE-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN CC(C)SCCN1[C@H](c2ccccc2)COC[C@@H]1C ZINC000338286446 1126731717 /nfs/dbraw/zinc/73/17/17/1126731717.db2.gz SOEXPCIMYGPSPZ-HOCLYGCPSA-N 0 1 279.449 3.590 20 0 CHADMN CC(C)SCCN1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000338286437 1126731910 /nfs/dbraw/zinc/73/19/10/1126731910.db2.gz SOEXPCIMYGPSPZ-GDBMZVCRSA-N 0 1 279.449 3.590 20 0 CHADMN Cc1nc([C@@H]2CCCCN2Cc2ccc(Cl)s2)n[nH]1 ZINC000338333741 1126734592 /nfs/dbraw/zinc/73/45/92/1126734592.db2.gz RYWIREUAXYPSQJ-NSHDSACASA-N 0 1 296.827 3.555 20 0 CHADMN Cc1csc(CN2CC[C@@H](OC(C)C)C2)c1Cl ZINC001137292615 1130307006 /nfs/dbraw/zinc/30/70/06/1130307006.db2.gz HUZWDINRWPWDJP-LLVKDONJSA-N 0 1 273.829 3.709 20 0 CHADMN CC(C)c1noc(CN(C)[C@H](C)C2CCCCC2)n1 ZINC000338363667 1126738513 /nfs/dbraw/zinc/73/85/13/1126738513.db2.gz AYJKYHFVDWUHJN-GFCCVEGCSA-N 0 1 265.401 3.594 20 0 CHADMN CCCCC[C@H](C)NC(=O)CN(CC)Cc1ccccc1 ZINC000302736226 1126740805 /nfs/dbraw/zinc/74/08/05/1126740805.db2.gz DRLXUTBOLJCULU-INIZCTEOSA-N 0 1 290.451 3.594 20 0 CHADMN CCOC1CC(N[C@@H](c2ccco2)c2ccccc2)C1 ZINC000158128248 1126747652 /nfs/dbraw/zinc/74/76/52/1126747652.db2.gz AVKIPCGVRAAKTN-VMBOVVBDSA-N 0 1 271.360 3.526 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccc(OC)cc2)o1 ZINC000151025276 1126749164 /nfs/dbraw/zinc/74/91/64/1126749164.db2.gz XEHXYVNMYREZKN-GFCCVEGCSA-N 0 1 259.349 3.701 20 0 CHADMN COCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000202001125 1126749212 /nfs/dbraw/zinc/74/92/12/1126749212.db2.gz QYFPWTNVSPMPNK-UHFFFAOYSA-N 0 1 298.186 3.747 20 0 CHADMN CCOc1ccc(Cl)cc1[C@@H](C)NCc1cccnc1 ZINC000151084070 1126750291 /nfs/dbraw/zinc/75/02/91/1126750291.db2.gz BRTPCYYJEFQHGY-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN COCc1csc(CN2Cc3ccccc3C3(CC3)C2)c1 ZINC000668005043 1126751609 /nfs/dbraw/zinc/75/16/09/1126751609.db2.gz KDZQQWBRGPFTCT-UHFFFAOYSA-N 0 1 299.439 3.942 20 0 CHADMN C[C@@H](N[C@@H]1CCCC12CC2)c1nc(Cc2ccccc2)no1 ZINC000668051512 1126756467 /nfs/dbraw/zinc/75/64/67/1126756467.db2.gz RLKAIVSCALIPBX-UKRRQHHQSA-N 0 1 297.402 3.644 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1nc(C2CCCCC2)no1 ZINC000668051360 1126757651 /nfs/dbraw/zinc/75/76/51/1126757651.db2.gz OMJKQMNOTDNSDZ-PMOUVXMZSA-N 0 1 289.423 3.957 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cn3ccc(C)cc3n1)CC2 ZINC000482501262 1126761732 /nfs/dbraw/zinc/76/17/32/1126761732.db2.gz JBWAOVGCCPRBEW-GOSISDBHSA-N 0 1 291.398 3.728 20 0 CHADMN CC[C@H]1[C@@H](C)CCN1Cc1cc(F)c(F)c(F)c1 ZINC000482503464 1126761743 /nfs/dbraw/zinc/76/17/43/1126761743.db2.gz FTAQGCNAVJRIEF-ZANVPECISA-N 0 1 257.299 3.724 20 0 CHADMN Cc1cn[nH]c1CSCc1c(Cl)cncc1Cl ZINC000902434407 1126765536 /nfs/dbraw/zinc/76/55/36/1126765536.db2.gz DGSLEZBCGWRBEJ-UHFFFAOYSA-N 0 1 288.203 3.853 20 0 CHADMN Cc1ccc2cc(CN(C)[C@H](CO)c3ccccc3)[nH]c2c1 ZINC000668210588 1126769226 /nfs/dbraw/zinc/76/92/26/1126769226.db2.gz GJZORYQJVOTWHO-LJQANCHMSA-N 0 1 294.398 3.642 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2csc(-c3ccccn3)n2)C1 ZINC000174477020 1126771054 /nfs/dbraw/zinc/77/10/54/1126771054.db2.gz IUOVLESFNPVRGB-CHWSQXEVSA-N 0 1 287.432 3.826 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cc2nc(C3CCCC3)no2)C1 ZINC000483216476 1126772956 /nfs/dbraw/zinc/77/29/56/1126772956.db2.gz ARBSTOYTOIIPIX-CQSZACIVSA-N 0 1 291.439 3.985 20 0 CHADMN CC(C)[C@H]1CN(Cc2nccn2C(C)C)[C@H]1C(C)C ZINC000668220606 1126772980 /nfs/dbraw/zinc/77/29/80/1126772980.db2.gz WSCOUYDTEYSWGV-ZBFHGGJFSA-N 0 1 263.429 3.576 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(CC(=O)Nc2ccccc2F)C1 ZINC000483239726 1126773917 /nfs/dbraw/zinc/77/39/17/1126773917.db2.gz SUIBHFNUKVIFPE-CYBMUJFWSA-N 0 1 292.398 3.522 20 0 CHADMN Cc1n[nH]c(C(=O)NCC2CCC(C(C)(C)C)CC2)c1C ZINC000483250287 1126774755 /nfs/dbraw/zinc/77/47/55/1126774755.db2.gz NNTPBQKORGVJSJ-UHFFFAOYSA-N 0 1 291.439 3.609 20 0 CHADMN Cc1ccc(C)c(NC(=O)Nc2ccc(F)c(F)c2O)c1 ZINC001202769800 1126774966 /nfs/dbraw/zinc/77/49/66/1126774966.db2.gz DAVHBFZCTHCORA-UHFFFAOYSA-N 0 1 292.285 3.931 20 0 CHADMN CC[C@@H]1CCCN(Cc2csc(N(C)C3CC3)n2)CC1 ZINC000483382725 1126784560 /nfs/dbraw/zinc/78/45/60/1126784560.db2.gz JCBPTGFZQPCPNH-CYBMUJFWSA-N 0 1 293.480 3.754 20 0 CHADMN Cc1ccncc1CNCc1ccc(F)c(C(F)(F)F)c1 ZINC000162668203 1126785265 /nfs/dbraw/zinc/78/52/65/1126785265.db2.gz DUGNEXNDKOKEGY-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2CCC(C)=C(C)C2)c(C)c1 ZINC000483388545 1126785298 /nfs/dbraw/zinc/78/52/98/1126785298.db2.gz ZVPOMMLHQCJQOF-INIZCTEOSA-N 0 1 286.419 3.673 20 0 CHADMN Fc1cccc2c1CC[C@H]2N[C@@H](c1ccccn1)C1CC1 ZINC000903341454 1126801980 /nfs/dbraw/zinc/80/19/80/1126801980.db2.gz YJXKJKCVMFIMQV-SJLPKXTDSA-N 0 1 282.362 3.949 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1nccn1C(F)F ZINC000177540247 1126802684 /nfs/dbraw/zinc/80/26/84/1126802684.db2.gz PIRKEHWICRCUDH-JSGCOSHPSA-N 0 1 291.345 3.656 20 0 CHADMN CC(C)c1nnc(CN2CC[C@@H](c3ccccc3)[C@@H]2C)o1 ZINC000177532269 1126802854 /nfs/dbraw/zinc/80/28/54/1126802854.db2.gz FOFGZGKFLRCCKQ-DZGCQCFKSA-N 0 1 285.391 3.571 20 0 CHADMN Cc1ccc2[nH]c(CN[C@@H]3CCc4ccc(C)cc43)nc2c1 ZINC000483865813 1126804272 /nfs/dbraw/zinc/80/42/72/1126804272.db2.gz GDHWIYADXOMCLO-MRXNPFEDSA-N 0 1 291.398 3.957 20 0 CHADMN Cc1ccc2nc(CN[C@@H]3CCc4ccc(C)cc43)[nH]c2c1 ZINC000483865813 1126804276 /nfs/dbraw/zinc/80/42/76/1126804276.db2.gz GDHWIYADXOMCLO-MRXNPFEDSA-N 0 1 291.398 3.957 20 0 CHADMN C[C@@H]1CCN(Cc2csc(-c3ccoc3)n2)[C@@H]1C ZINC000177902745 1126807429 /nfs/dbraw/zinc/80/74/29/1126807429.db2.gz HHNIOVWYUXMXEZ-GHMZBOCLSA-N 0 1 262.378 3.633 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cn3c(cccc3C)n2)c1 ZINC000178062150 1126808281 /nfs/dbraw/zinc/80/82/81/1126808281.db2.gz FGWQEKVEHMXZNY-OAHLLOKOSA-N 0 1 279.387 3.802 20 0 CHADMN CCCCN1CCc2cc(Br)ccc2C1 ZINC000483994286 1126808229 /nfs/dbraw/zinc/80/82/29/1126808229.db2.gz NCBWJJLOAXAAJS-UHFFFAOYSA-N 0 1 268.198 3.607 20 0 CHADMN COc1ccc(OC(F)F)c(CN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000668299748 1126808476 /nfs/dbraw/zinc/80/84/76/1126808476.db2.gz RFXIXTXQNWIEPV-FZMZJTMJSA-N 0 1 297.345 3.671 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H](C)c1ccncc1 ZINC000178128869 1126809489 /nfs/dbraw/zinc/80/94/89/1126809489.db2.gz CZBLUPNKHNMOLP-CHWSQXEVSA-N 0 1 286.423 3.753 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccc([S@](C)=O)cc2)o1 ZINC000178301987 1126811460 /nfs/dbraw/zinc/81/14/60/1126811460.db2.gz IIKUCQVNZGKKIO-UVARLRKDSA-N 0 1 291.416 3.737 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(Cl)c1 ZINC000161385063 1126813082 /nfs/dbraw/zinc/81/30/82/1126813082.db2.gz ADQLQQZWLQHDFV-AWEZNQCLSA-N 0 1 299.773 3.698 20 0 CHADMN Clc1cccc2c1OCCC[C@@H]2NCc1ccoc1 ZINC000178474909 1126814066 /nfs/dbraw/zinc/81/40/66/1126814066.db2.gz PVAUNGANAOGKEI-AWEZNQCLSA-N 0 1 277.751 3.937 20 0 CHADMN COCc1cc(CN[C@H](C)c2ccc(C)o2)ccc1F ZINC000178485015 1126814517 /nfs/dbraw/zinc/81/45/17/1126814517.db2.gz SLODDEUUWYYNHF-GFCCVEGCSA-N 0 1 277.339 3.724 20 0 CHADMN COc1ccc([C@H]2CCCN2Cc2cnn(C(C)C)c2)cc1 ZINC000178863509 1126821510 /nfs/dbraw/zinc/82/15/10/1126821510.db2.gz IWPSUNXYMZGILX-GOSISDBHSA-N 0 1 299.418 3.810 20 0 CHADMN Cc1coc(C[NH2+][C@@H](CC(=O)[O-])c2ccccc2Cl)c1 ZINC000904031900 1126821803 /nfs/dbraw/zinc/82/18/03/1126821803.db2.gz LNVRGGCIOZUMPU-AWEZNQCLSA-N 0 1 293.750 3.547 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1CCC[C@H](OC(F)F)C1 ZINC000679684485 1130551412 /nfs/dbraw/zinc/55/14/12/1130551412.db2.gz TXAVRKDCWOYDHG-GWCFXTLKSA-N 0 1 273.298 3.590 20 0 CHADMN CN(CCOC(C)(C)C)Cc1cc(Cl)cc2c1OCC2 ZINC000679989105 1130568030 /nfs/dbraw/zinc/56/80/30/1130568030.db2.gz GGBLBYQLQUXCRG-UHFFFAOYSA-N 0 1 297.826 3.522 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2ccc(Cl)nc2)c1 ZINC000179106590 1126823343 /nfs/dbraw/zinc/82/33/43/1126823343.db2.gz KKCRLUVAMBUZIG-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN c1cc(C2CC2)ccc1CCCc1nc([C@@H]2CCCN2)no1 ZINC000904075724 1126826489 /nfs/dbraw/zinc/82/64/89/1126826489.db2.gz PBWFNTDDDVKIDR-INIZCTEOSA-N 0 1 297.402 3.547 20 0 CHADMN C[C@H](c1ccco1)N(C)Cc1cn(C)nc1-c1ccccc1 ZINC000179682912 1126832077 /nfs/dbraw/zinc/83/20/77/1126832077.db2.gz XWPQJCBPLTTYFM-CQSZACIVSA-N 0 1 295.386 3.873 20 0 CHADMN Cc1cnc(=S)n(CN(C2CC2)C2CCCCC2)c1 ZINC000758302016 1130605291 /nfs/dbraw/zinc/60/52/91/1130605291.db2.gz WQQQSLCWYSVFEP-UHFFFAOYSA-N 0 1 277.437 3.676 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1cccc2nccn21 ZINC000179713915 1126832621 /nfs/dbraw/zinc/83/26/21/1126832621.db2.gz XOZRDTLAIOLPML-LBPRGKRZSA-N 0 1 271.389 3.589 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(Cc1cnc[nH]1)C1CC1 ZINC000180024694 1126838793 /nfs/dbraw/zinc/83/87/93/1126838793.db2.gz UHQKAPXUJWCRPY-NSHDSACASA-N 0 1 275.783 3.789 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000180233880 1126841216 /nfs/dbraw/zinc/84/12/16/1126841216.db2.gz POSPCQQSHXETLL-DIFFPNOSSA-N 0 1 270.376 3.623 20 0 CHADMN Cc1cnc(CN(C)CCCc2ccccc2)s1 ZINC000180432418 1126843818 /nfs/dbraw/zinc/84/38/18/1126843818.db2.gz PDBAVXUEVRWAIJ-UHFFFAOYSA-N 0 1 260.406 3.516 20 0 CHADMN COc1ccc(CCCN(C)Cc2ncc(C)s2)cc1 ZINC000180444724 1126844698 /nfs/dbraw/zinc/84/46/98/1126844698.db2.gz SYWKSIKQQNHMHY-UHFFFAOYSA-N 0 1 290.432 3.525 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1cc(-c2ccco2)on1 ZINC000180660103 1126847655 /nfs/dbraw/zinc/84/76/55/1126847655.db2.gz KWPOTJOFCKXVTI-LBPRGKRZSA-N 0 1 280.393 3.508 20 0 CHADMN COC[C@@H](N[C@@H](C)c1ccc(Cl)nc1)c1ccccc1 ZINC000180844232 1126849184 /nfs/dbraw/zinc/84/91/84/1126849184.db2.gz JBZZOXXOPYLJEV-SWLSCSKDSA-N 0 1 290.794 3.773 20 0 CHADMN CCN(C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C(C)C ZINC000181101797 1126851896 /nfs/dbraw/zinc/85/18/96/1126851896.db2.gz INJCIZOYPDPYNE-UHFFFAOYSA-N 0 1 296.321 3.763 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)N1CCSC(C)(C)C1 ZINC000181142837 1126852461 /nfs/dbraw/zinc/85/24/61/1126852461.db2.gz SPSOVCPLSMMVBS-NSHDSACASA-N 0 1 276.405 3.716 20 0 CHADMN CC(C)CO[C@H]1CCN([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181147211 1126852958 /nfs/dbraw/zinc/85/29/58/1126852958.db2.gz IIBWGXXGKXGWCH-KBPBESRZSA-N 0 1 288.391 3.636 20 0 CHADMN C[C@@H](N[C@H]1CCCOc2c(F)cccc21)c1ccncc1 ZINC000181322929 1126854531 /nfs/dbraw/zinc/85/45/31/1126854531.db2.gz NWZMKEDVVPFIEY-WBMJQRKESA-N 0 1 286.350 3.785 20 0 CHADMN CC[C@@H](NCc1cccc(F)n1)c1ccc(F)cc1 ZINC000747745189 1130645578 /nfs/dbraw/zinc/64/55/78/1130645578.db2.gz XOTNECNJYYRAJO-CQSZACIVSA-N 0 1 262.303 3.601 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCCCC(=O)[O-] ZINC000181570803 1126857988 /nfs/dbraw/zinc/85/79/88/1126857988.db2.gz SAUXUZNRLBSDDY-MRXNPFEDSA-N 0 1 277.408 3.503 20 0 CHADMN CC[C@@H](C)CN(Cc1ccco1)Cc1cccnc1 ZINC000182068015 1126865564 /nfs/dbraw/zinc/86/55/64/1126865564.db2.gz DBAJXIPWGOBADI-CQSZACIVSA-N 0 1 258.365 3.723 20 0 CHADMN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000182157350 1126867597 /nfs/dbraw/zinc/86/75/97/1126867597.db2.gz CZSGORJYMKJCLW-JMPLFQLZSA-N 0 1 293.313 3.739 20 0 CHADMN Clc1ccc(CN[C@@H]2CCCc3ccccc32)nc1 ZINC000182129939 1126866326 /nfs/dbraw/zinc/86/63/26/1126866326.db2.gz OFABESBMUIPNBP-MRXNPFEDSA-N 0 1 272.779 3.902 20 0 CHADMN Cc1nc(C)c([C@@H](C)NCc2ccc(Cl)cn2)s1 ZINC000182125980 1126866534 /nfs/dbraw/zinc/86/65/34/1126866534.db2.gz PRDFQYGSOHFWPY-MRVPVSSYSA-N 0 1 281.812 3.659 20 0 CHADMN CC[C@H](NCc1ccc(Cl)cn1)c1ccccc1 ZINC000182121705 1126866675 /nfs/dbraw/zinc/86/66/75/1126866675.db2.gz DJCOHEZFYPXEJL-HNNXBMFYSA-N 0 1 260.768 3.976 20 0 CHADMN COc1cccc([C@H](C)NCc2ccc(Cl)cn2)c1 ZINC000182124803 1126866720 /nfs/dbraw/zinc/86/67/20/1126866720.db2.gz OCXUESNOVRTQRN-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN CCn1cc([C@@H](C)NC2(c3cccc(Cl)c3)CC2)cn1 ZINC000182261418 1126868947 /nfs/dbraw/zinc/86/89/47/1126868947.db2.gz VCDLWTJESGQSDC-GFCCVEGCSA-N 0 1 289.810 3.896 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NC1(c2cccc(Cl)c2)CC1 ZINC000182257184 1126869265 /nfs/dbraw/zinc/86/92/65/1126869265.db2.gz QDLKSMNPCPXDTA-LLVKDONJSA-N 0 1 289.810 3.722 20 0 CHADMN Cc1ccc(CN(C)Cc2cnn(CC(C)C)c2)s1 ZINC000183253746 1126883405 /nfs/dbraw/zinc/88/34/05/1126883405.db2.gz KKDJPGJOHQKRQN-UHFFFAOYSA-N 0 1 277.437 3.541 20 0 CHADMN CC[C@@H](NCc1ccncc1F)c1ccc(F)cc1 ZINC001168369896 1126884447 /nfs/dbraw/zinc/88/44/47/1126884447.db2.gz CVQLXZLLGOZCRA-OAHLLOKOSA-N 0 1 262.303 3.601 20 0 CHADMN Cc1ccc(C)c(NC(=O)C(C)(C)N2CCCCC2)c1 ZINC000905008147 1126886677 /nfs/dbraw/zinc/88/66/77/1126886677.db2.gz ATCZYEHLRYLTQT-UHFFFAOYSA-N 0 1 274.408 3.506 20 0 CHADMN C[C@@H](c1ccncc1)N(C)CC1=Cc2ccccc2OC1 ZINC000183714019 1126891165 /nfs/dbraw/zinc/89/11/65/1126891165.db2.gz ZPOWTSYYWCRCAU-AWEZNQCLSA-N 0 1 280.371 3.550 20 0 CHADMN CC(C)n1cc(CNCc2ccc(C(F)F)cc2)cn1 ZINC000185176904 1126898784 /nfs/dbraw/zinc/89/87/84/1126898784.db2.gz KAIITPHEPFJRTF-UHFFFAOYSA-N 0 1 279.334 3.691 20 0 CHADMN CCCC[C@@H](CC)C[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905368818 1126898834 /nfs/dbraw/zinc/89/88/34/1126898834.db2.gz CFCCYABAWBAYOF-GDBMZVCRSA-N 0 1 277.408 3.961 20 0 CHADMN CCC[C@@H](C)CN(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000485297256 1126901996 /nfs/dbraw/zinc/90/19/96/1126901996.db2.gz XNUNDUWRCXEKKW-CQSZACIVSA-N 0 1 271.408 3.945 20 0 CHADMN CC(C)c1ccc(NCc2ccc3nc[nH]c3c2)cn1 ZINC000905432324 1126902727 /nfs/dbraw/zinc/90/27/27/1126902727.db2.gz FMJYVHCCDPAOQO-UHFFFAOYSA-N 0 1 266.348 3.693 20 0 CHADMN CCCCN(C(=O)c1cc2[nH]cnc2cc1F)[C@H](C)CC ZINC000668465848 1126906735 /nfs/dbraw/zinc/90/67/35/1126906735.db2.gz FYWDYKKEDFGDMW-LLVKDONJSA-N 0 1 291.370 3.743 20 0 CHADMN CCCc1cccc(CN[C@H](C)c2ccccn2)c1 ZINC000187092511 1126908181 /nfs/dbraw/zinc/90/81/81/1126908181.db2.gz YUXGZLGLWHJSLB-CQSZACIVSA-N 0 1 254.377 3.885 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(C(C)(C)O)cc2)o1 ZINC000187501686 1126910854 /nfs/dbraw/zinc/91/08/54/1126910854.db2.gz YHFCIOAEXWHRQX-GUYCJALGSA-N 0 1 299.414 3.920 20 0 CHADMN CCc1ccc(C)nc1NC1CCC2(CCCO2)CC1 ZINC000668477742 1126911150 /nfs/dbraw/zinc/91/11/50/1126911150.db2.gz GEYAJRMDQDKZEB-UHFFFAOYSA-N 0 1 274.408 3.856 20 0 CHADMN Cc1ccsc1CNCc1nc2cc(C)ccc2n1C ZINC000187574624 1126912056 /nfs/dbraw/zinc/91/20/56/1126912056.db2.gz RKLIRGDFSXMKLN-UHFFFAOYSA-N 0 1 285.416 3.541 20 0 CHADMN CCC[C@@H](N[C@@H](CCO)c1ccco1)c1ccsc1 ZINC000187923507 1126916487 /nfs/dbraw/zinc/91/64/87/1126916487.db2.gz XKHPCQNXAOUXRR-KGLIPLIRSA-N 0 1 279.405 3.896 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2nccnc2C)c(C)c1 ZINC000187894896 1126916499 /nfs/dbraw/zinc/91/64/99/1126916499.db2.gz RFAINBPZELUJSR-OAHLLOKOSA-N 0 1 269.392 3.561 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@H](C)c2nccnc2C)c1 ZINC000187893215 1126916634 /nfs/dbraw/zinc/91/66/34/1126916634.db2.gz ZEEMFCJFBQEYOO-TZMCWYRMSA-N 0 1 285.391 3.596 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(F)c(F)c(OC)c1 ZINC001235445710 1130745035 /nfs/dbraw/zinc/74/50/35/1130745035.db2.gz NVTZMDFDPGMYSH-LBPRGKRZSA-N 0 1 269.335 3.738 20 0 CHADMN Cc1cccc([C@H](O)CN2CC[C@@H]2c2cccc(F)c2)c1 ZINC000905950457 1126923246 /nfs/dbraw/zinc/92/32/46/1126923246.db2.gz OHIBIAIAUBVMGE-QZTJIDSGSA-N 0 1 285.362 3.615 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1ccc(C(F)F)cc1 ZINC000188472337 1126923495 /nfs/dbraw/zinc/92/34/95/1126923495.db2.gz LRROFZKYIALBRG-LLVKDONJSA-N 0 1 277.318 3.573 20 0 CHADMN Cc1cc(CN[C@H](C)c2nccnc2C)ccc1Cl ZINC000188458777 1126923982 /nfs/dbraw/zinc/92/39/82/1126923982.db2.gz VSIYSTWYYPQCSL-GFCCVEGCSA-N 0 1 275.783 3.598 20 0 CHADMN Cc1cncc(Br)c1CN1CCCC[C@H]1C ZINC001235639287 1130759639 /nfs/dbraw/zinc/75/96/39/1130759639.db2.gz VCKGRRHEWCVTSG-LLVKDONJSA-N 0 1 283.213 3.527 20 0 CHADMN COCc1ccc(CNCc2ccc(Cl)cc2F)cc1 ZINC000189189220 1126928550 /nfs/dbraw/zinc/92/85/50/1126928550.db2.gz XLPISQBQFTXCEG-UHFFFAOYSA-N 0 1 293.769 3.915 20 0 CHADMN Cc1cncc(CN[C@H](c2ncccc2C)C(C)C)c1 ZINC000189954047 1126936682 /nfs/dbraw/zinc/93/66/82/1126936682.db2.gz QEGLVQLDTZRXSF-INIZCTEOSA-N 0 1 269.392 3.580 20 0 CHADMN CCCn1nc(C)c(-c2ccc(F)c(CN(C)C)c2)c1C ZINC000906176014 1126933665 /nfs/dbraw/zinc/93/36/65/1126933665.db2.gz XMEFJIWUGHWPCQ-UHFFFAOYSA-N 0 1 289.398 3.778 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](NCc1ccccn1)CC2 ZINC000189620422 1126934260 /nfs/dbraw/zinc/93/42/60/1126934260.db2.gz JJVVICOAUHXXDX-SFHVURJKSA-N 0 1 266.388 3.982 20 0 CHADMN CCCCOc1cccc(NC(=O)c2cn[nH]c2C2CC2)c1 ZINC000190181107 1126939735 /nfs/dbraw/zinc/93/97/35/1126939735.db2.gz UQIUDZMTBLHEEW-UHFFFAOYSA-N 0 1 299.374 3.718 20 0 CHADMN Cc1c([C@H](C)NCc2ccc(Cl)nc2)cnn1C(C)C ZINC000191189567 1126949298 /nfs/dbraw/zinc/94/92/98/1126949298.db2.gz OCABXXYJUPWBFA-NSHDSACASA-N 0 1 292.814 3.672 20 0 CHADMN C[C@H](NCc1ccc(CO)c(F)c1)c1csc(Cl)c1 ZINC000191204552 1126949398 /nfs/dbraw/zinc/94/93/98/1126949398.db2.gz IVRHVFJXRCQYQQ-VIFPVBQESA-N 0 1 299.798 3.884 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc(OCC2CC2)cc1 ZINC000191478414 1126953059 /nfs/dbraw/zinc/95/30/59/1126953059.db2.gz NVTFBJJYTUHHCR-UHFFFAOYSA-N 0 1 282.387 3.502 20 0 CHADMN C[C@H](c1ccc(C(F)(F)F)cc1)N1CCO[C@@H](C2CC2)C1 ZINC000485824546 1126956110 /nfs/dbraw/zinc/95/61/10/1126956110.db2.gz ZNMISOAOEPANJI-IAQYHMDHSA-N 0 1 299.336 3.877 20 0 CHADMN C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCO[C@@H](C2CC2)C1 ZINC000485824548 1126956347 /nfs/dbraw/zinc/95/63/47/1126956347.db2.gz ZNMISOAOEPANJI-XHDPSFHLSA-N 0 1 299.336 3.877 20 0 CHADMN Cc1ccc(SCCN2CCO[C@H](C3CC3)C2)cc1C ZINC000485838893 1126956358 /nfs/dbraw/zinc/95/63/58/1126956358.db2.gz BUWIGZTTWPZIJC-KRWDZBQOSA-N 0 1 291.460 3.506 20 0 CHADMN C[C@H]1CCN(Cc2ncc(-c3ccccc3)o2)CCS1 ZINC000192168655 1126958352 /nfs/dbraw/zinc/95/83/52/1126958352.db2.gz NJAIGAJRKZZMKQ-ZDUSSCGKSA-N 0 1 288.416 3.669 20 0 CHADMN Fc1cccc([C@H]2C[C@@H]2N2CCC=C(c3ccccn3)C2)c1 ZINC000906589997 1126959630 /nfs/dbraw/zinc/95/96/30/1126959630.db2.gz MEYCSWQPMSYCEQ-MJGOQNOKSA-N 0 1 294.373 3.866 20 0 CHADMN C[C@@H](CNCc1cocn1)c1c(Cl)cccc1Cl ZINC000192303967 1126960185 /nfs/dbraw/zinc/96/01/85/1126960185.db2.gz BSNXVZIARSPUIJ-VIFPVBQESA-N 0 1 285.174 3.875 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2NCc1ccc(OCC2CC2)nc1 ZINC000192790708 1126963846 /nfs/dbraw/zinc/96/38/46/1126963846.db2.gz OKICRCLQSHBGRN-INIZCTEOSA-N 0 1 298.386 3.631 20 0 CHADMN CC(C)(NCc1cccc(Cl)n1)c1ccccc1 ZINC000266748705 1126987497 /nfs/dbraw/zinc/98/74/97/1126987497.db2.gz PMHDKFDGAHEMHA-UHFFFAOYSA-N 0 1 260.768 3.760 20 0 CHADMN Cc1cc(CN2C[C@@H](C)C[C@H]2c2ccccc2F)on1 ZINC000266614704 1126985595 /nfs/dbraw/zinc/98/55/95/1126985595.db2.gz XKGOPNVDUSGCGJ-ZBEGNZNMSA-N 0 1 274.339 3.705 20 0 CHADMN Clc1ccc(CN2CCC([C@@H]3CCCCO3)CC2)o1 ZINC000668629033 1126985944 /nfs/dbraw/zinc/98/59/44/1126985944.db2.gz MQDDUPDLIWPBER-AWEZNQCLSA-N 0 1 283.799 3.714 20 0 CHADMN Fc1ccc2cc(CNCc3ccc(F)cc3F)[nH]c2c1 ZINC000486674099 1126995363 /nfs/dbraw/zinc/99/53/63/1126995363.db2.gz HMFCDSSVNZODKT-UHFFFAOYSA-N 0 1 290.288 3.875 20 0 CHADMN c1cc(Sc2ccccn2)oc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000668677810 1127000178 /nfs/dbraw/zinc/00/01/78/1127000178.db2.gz XXDBQDRKDZODFA-CHWSQXEVSA-N 0 1 286.400 3.668 20 0 CHADMN Cc1cc(Br)c(CN2CC[C@@H]3C[C@@H]3C2)s1 ZINC000668678597 1127000853 /nfs/dbraw/zinc/00/08/53/1127000853.db2.gz MMQZNQKGKWFFJS-NXEZZACHSA-N 0 1 286.238 3.661 20 0 CHADMN CCCCC[C@H]1CCC[N@H+]1Cc1nc(-c2ccoc2)no1 ZINC000486778004 1127001588 /nfs/dbraw/zinc/00/15/88/1127001588.db2.gz LAUKSOWZQDXIGT-AWEZNQCLSA-N 0 1 289.379 3.874 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1nc(-c2ccoc2)no1 ZINC000486778004 1127001591 /nfs/dbraw/zinc/00/15/91/1127001591.db2.gz LAUKSOWZQDXIGT-AWEZNQCLSA-N 0 1 289.379 3.874 20 0 CHADMN CC(C)n1ccnc1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000268056074 1127010540 /nfs/dbraw/zinc/01/05/40/1127010540.db2.gz YEGBNGLMTDBMMT-HNNXBMFYSA-N 0 1 287.382 3.593 20 0 CHADMN CC(C)n1ccnc1CN1CC[C@H](c2ccc(F)cc2)C1 ZINC000268056074 1127010544 /nfs/dbraw/zinc/01/05/44/1127010544.db2.gz YEGBNGLMTDBMMT-HNNXBMFYSA-N 0 1 287.382 3.593 20 0 CHADMN Fc1ccc([C@H]2CC[N@@H+](Cc3cnc(Cl)s3)C2)cc1 ZINC000268055255 1127010554 /nfs/dbraw/zinc/01/05/54/1127010554.db2.gz XPAOOAAQFNWVQD-NSHDSACASA-N 0 1 296.798 3.925 20 0 CHADMN Fc1ccc([C@H]2CCN(Cc3cnc(Cl)s3)C2)cc1 ZINC000268055255 1127010556 /nfs/dbraw/zinc/01/05/56/1127010556.db2.gz XPAOOAAQFNWVQD-NSHDSACASA-N 0 1 296.798 3.925 20 0 CHADMN CCN(CCc1cccs1)Cc1nc(C)cs1 ZINC000268045579 1127010842 /nfs/dbraw/zinc/01/08/42/1127010842.db2.gz RWZQTRCVQFZGPS-UHFFFAOYSA-N 0 1 266.435 3.578 20 0 CHADMN Cc1csc(CN2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000268099993 1127011895 /nfs/dbraw/zinc/01/18/95/1127011895.db2.gz KQKAXKNLUXUCMW-CYBMUJFWSA-N 0 1 276.380 3.580 20 0 CHADMN CCc1cccc(F)c1CN1CCC(c2ccon2)CC1 ZINC000668719556 1127014878 /nfs/dbraw/zinc/01/48/78/1127014878.db2.gz YEGIBLPDDHAZJE-UHFFFAOYSA-N 0 1 288.366 3.756 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(N3CCCCC3)nc2)o1 ZINC000268768618 1127023928 /nfs/dbraw/zinc/02/39/28/1127023928.db2.gz KNCUEWWXZHPQKY-OAHLLOKOSA-N 0 1 299.418 3.824 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cn3ccsc3n2)cc1C ZINC000268798878 1127024659 /nfs/dbraw/zinc/02/46/59/1127024659.db2.gz JOSLXGLXZAWFIJ-CYBMUJFWSA-N 0 1 285.416 3.863 20 0 CHADMN CCc1nc[nH]c1C(=O)N(CC1CC1)c1ccc(CC)cc1 ZINC000908973264 1127020024 /nfs/dbraw/zinc/02/00/24/1127020024.db2.gz JAOYIDCPYNARFH-UHFFFAOYSA-N 0 1 297.402 3.591 20 0 CHADMN COc1ccsc1CNC1(c2ccccc2)CC1 ZINC000268818011 1127025712 /nfs/dbraw/zinc/02/57/12/1127025712.db2.gz WRXLCVHVIRUWDW-UHFFFAOYSA-N 0 1 259.374 3.536 20 0 CHADMN Cc1cc(C)c(NC(=O)N[C@@H]2CCCc3cn[nH]c32)c(C)c1 ZINC000268912106 1127028322 /nfs/dbraw/zinc/02/83/22/1127028322.db2.gz UACNBCGODOQSSK-CQSZACIVSA-N 0 1 298.390 3.534 20 0 CHADMN Cc1[nH]c2c(cc(C)cc2CNCc2cncs2)c1C ZINC000268947337 1127029654 /nfs/dbraw/zinc/02/96/54/1127029654.db2.gz BPSXIZBIBLBUBE-UHFFFAOYSA-N 0 1 285.416 3.839 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cncs1 ZINC000269064559 1127034436 /nfs/dbraw/zinc/03/44/36/1127034436.db2.gz YMFNWNKOAWJFNR-NOLJZWGESA-N 0 1 288.416 3.714 20 0 CHADMN Cc1cc(NC[C@@H]2CCCOC2)c2cc(F)ccc2n1 ZINC000269059349 1127034951 /nfs/dbraw/zinc/03/49/51/1127034951.db2.gz XIHFWUGUCLQQFL-LBPRGKRZSA-N 0 1 274.339 3.521 20 0 CHADMN CCc1cccc(F)c1CN[C@@H](c1ccccc1)[C@@H](C)O ZINC000668788228 1127038953 /nfs/dbraw/zinc/03/89/53/1127038953.db2.gz HERZHTLKGAZFIZ-FZKQIMNGSA-N 0 1 287.378 3.600 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)COc2cccc(F)c2)cs1 ZINC000269423313 1127039463 /nfs/dbraw/zinc/03/94/63/1127039463.db2.gz MMSGXMFKGSTCAO-MNOVXSKESA-N 0 1 294.395 3.709 20 0 CHADMN CCCN(Cc1ccn(-c2ccc(F)cc2F)n1)C1CC1 ZINC000487922206 1127047212 /nfs/dbraw/zinc/04/72/12/1127047212.db2.gz RVTNJRFZKYBTGA-UHFFFAOYSA-N 0 1 291.345 3.525 20 0 CHADMN CCCc1nc(CN(CCOC)[C@H]2CCC[C@@H]2C)cs1 ZINC000487951962 1127049947 /nfs/dbraw/zinc/04/99/47/1127049947.db2.gz IEKPDTWECVDVPU-ZFWWWQNUSA-N 0 1 296.480 3.733 20 0 CHADMN FC(F)(F)C1=CCN(Cc2cccc3cccnc32)CC1 ZINC000270199975 1127052095 /nfs/dbraw/zinc/05/20/95/1127052095.db2.gz OZACCTCQRQQNRY-UHFFFAOYSA-N 0 1 292.304 3.929 20 0 CHADMN CC1(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CCC1 ZINC000270390136 1127055196 /nfs/dbraw/zinc/05/51/96/1127055196.db2.gz RDMIHCALOKSFMV-UHFFFAOYSA-N 0 1 279.290 3.629 20 0 CHADMN C[C@H](N[C@H]1CCc2c1cccc2O)c1ccc(Cl)nc1 ZINC000270515979 1127056424 /nfs/dbraw/zinc/05/64/24/1127056424.db2.gz QKXHSPCZKPHEBT-HZMBPMFUSA-N 0 1 288.778 3.779 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CN1Cc1ncc(C2CC2)o1 ZINC000270525653 1127056773 /nfs/dbraw/zinc/05/67/73/1127056773.db2.gz DOHWHVVZSLENFI-BBRMVZONSA-N 0 1 282.387 3.930 20 0 CHADMN C[C@@H](c1ccc(OC(F)F)cc1)N1CCOC2(CCC2)C1 ZINC000270853704 1127062575 /nfs/dbraw/zinc/06/25/75/1127062575.db2.gz IKTPBELTICBQQP-LBPRGKRZSA-N 0 1 297.345 3.604 20 0 CHADMN Cc1ccc(C)c(SCc2n[nH]c(C(C)C)n2)c1 ZINC000488217494 1127062921 /nfs/dbraw/zinc/06/29/21/1127062921.db2.gz JOQLXXFVMMDKAK-UHFFFAOYSA-N 0 1 261.394 3.837 20 0 CHADMN C[C@H](c1ccc(OC(F)F)cc1)N1CCOC2(CCC2)C1 ZINC000270853703 1127063003 /nfs/dbraw/zinc/06/30/03/1127063003.db2.gz IKTPBELTICBQQP-GFCCVEGCSA-N 0 1 297.345 3.604 20 0 CHADMN CCn1nccc1CN([C@@H](C)c1ccccc1)C1CC1 ZINC000271033102 1127065986 /nfs/dbraw/zinc/06/59/86/1127065986.db2.gz DOHWVXSXBXONLL-AWEZNQCLSA-N 0 1 269.392 3.629 20 0 CHADMN CC[C@H](C)[C@H](C)NC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000488267523 1127066151 /nfs/dbraw/zinc/06/61/51/1127066151.db2.gz LZAPSCJBJSMDDL-ZOBUZTSGSA-N 0 1 290.451 3.620 20 0 CHADMN Cc1nc(CSc2ccc3ccccc3c2)n[nH]1 ZINC000488282752 1127068560 /nfs/dbraw/zinc/06/85/60/1127068560.db2.gz VJEDGLSUQLWVPU-UHFFFAOYSA-N 0 1 255.346 3.559 20 0 CHADMN CC(C)n1cc(CN2CCC[C@@H]2c2ccc(F)cc2)cn1 ZINC000271050311 1127067150 /nfs/dbraw/zinc/06/71/50/1127067150.db2.gz VNKHRQUCNKSPLB-QGZVFWFLSA-N 0 1 287.382 3.940 20 0 CHADMN Cc1c(F)ccc(CN2CCC[C@@](C)(O)CC2)c1Cl ZINC001236707209 1130996680 /nfs/dbraw/zinc/99/66/80/1130996680.db2.gz CVGGIHKIJJCHKI-OAHLLOKOSA-N 0 1 285.790 3.524 20 0 CHADMN C[C@H](NCCc1nc(C(C)(C)C)cs1)c1cscn1 ZINC000271111882 1127068677 /nfs/dbraw/zinc/06/86/77/1127068677.db2.gz HNJKOGDBOFXZPL-JTQLQIEISA-N 0 1 295.477 3.790 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H]2CCCc3ccccc32)c2nccn21 ZINC000294264398 1129214555 /nfs/dbraw/zinc/21/45/55/1129214555.db2.gz XMWZLCHDYAOUMP-WQVCFCJDSA-N 0 1 267.376 3.556 20 0 CHADMN CC[C@H]1CN(Cc2cc3ccc(F)cc3[nH]2)CCS1 ZINC000488296148 1127069927 /nfs/dbraw/zinc/06/99/27/1127069927.db2.gz MVIMZMWUMJXIGX-AWEZNQCLSA-N 0 1 278.396 3.634 20 0 CHADMN COCc1cc(CN[C@@H](C)c2cnccc2C)ccc1F ZINC000271348067 1127076152 /nfs/dbraw/zinc/07/61/52/1127076152.db2.gz CWRCAEFSLGXXMG-ZDUSSCGKSA-N 0 1 288.366 3.526 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1C ZINC000271406948 1127078412 /nfs/dbraw/zinc/07/84/12/1127078412.db2.gz ACGMXOOIXCUYSG-ZIAGYGMSSA-N 0 1 286.423 3.957 20 0 CHADMN CC[C@H](NCc1cc(C)ncn1)c1cccc(Cl)c1 ZINC000271417858 1127079632 /nfs/dbraw/zinc/07/96/32/1127079632.db2.gz BKTCSTMGNLPEQZ-HNNXBMFYSA-N 0 1 275.783 3.679 20 0 CHADMN Cc1cc(CN[C@H](CC(C)C)c2ccccc2C)ncn1 ZINC000271416565 1127079653 /nfs/dbraw/zinc/07/96/53/1127079653.db2.gz BJJZZDJNWFJCPS-GOSISDBHSA-N 0 1 283.419 3.970 20 0 CHADMN CC[C@@H](N[C@H](C)c1n[nH]c(C(C)C)n1)c1ccccc1 ZINC000271411506 1127079941 /nfs/dbraw/zinc/07/99/41/1127079941.db2.gz ASQODJUKSKTVEL-TZMCWYRMSA-N 0 1 272.396 3.730 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H]2CCCc3c[nH]nc32)s1 ZINC000271442461 1127081868 /nfs/dbraw/zinc/08/18/68/1127081868.db2.gz CMBYYPWFCNJLTL-ZWNOBZJWSA-N 0 1 275.421 3.762 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2ccc(C)c(C)c2Cl)[nH]1 ZINC000911499686 1127082180 /nfs/dbraw/zinc/08/21/80/1127082180.db2.gz GAEWTYZKZNSBSM-UHFFFAOYSA-N 0 1 277.755 3.549 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1cnc2ccccc2n1 ZINC000659859128 1127082448 /nfs/dbraw/zinc/08/24/48/1127082448.db2.gz YRVUWONVLGNANF-UHFFFAOYSA-N 0 1 291.398 3.960 20 0 CHADMN Fc1cccc2cc(CN3CCCc4occc4C3)cnc12 ZINC000911596853 1127083011 /nfs/dbraw/zinc/08/30/11/1127083011.db2.gz ZBJPTOHYANQQLN-UHFFFAOYSA-N 0 1 296.345 3.915 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(F)cc1 ZINC000271449302 1127083119 /nfs/dbraw/zinc/08/31/19/1127083119.db2.gz DHCCNESQHSYWKO-HUUCEWRRSA-N 0 1 273.355 3.667 20 0 CHADMN CC[C@H](c1ccccc1)N(CC)Cc1cc(OC)no1 ZINC000659859472 1127084260 /nfs/dbraw/zinc/08/42/60/1127084260.db2.gz JFSLPXYQSRCEFY-OAHLLOKOSA-N 0 1 274.364 3.656 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000271483493 1127085869 /nfs/dbraw/zinc/08/58/69/1127085869.db2.gz NRZJCQXBCSWVKC-ACJLOTCBSA-N 0 1 287.378 3.772 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1n[nH]c(C(C)C)n1)CCC2 ZINC000271489533 1127085908 /nfs/dbraw/zinc/08/59/08/1127085908.db2.gz KQGDPWAEDIZULB-CJNGLKHVSA-N 0 1 298.434 3.965 20 0 CHADMN CC[C@@H](N[C@@H](c1ccccn1)c1ccccc1OC)C1CC1 ZINC000271492803 1127086412 /nfs/dbraw/zinc/08/64/12/1127086412.db2.gz LCJFIPQXBBIGMA-VQIMIIECSA-N 0 1 296.414 3.958 20 0 CHADMN CC[C@@H](N[C@H](c1ccccn1)c1ccccc1OC)C1CC1 ZINC000271492788 1127086496 /nfs/dbraw/zinc/08/64/96/1127086496.db2.gz LCJFIPQXBBIGMA-APWZRJJASA-N 0 1 296.414 3.958 20 0 CHADMN C[C@H](NCCc1cc2ccccc2o1)c1cscn1 ZINC000271513261 1127087330 /nfs/dbraw/zinc/08/73/30/1127087330.db2.gz OYAPFOFANDDFOK-NSHDSACASA-N 0 1 272.373 3.783 20 0 CHADMN Cc1n[nH]cc1CN[C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000271516665 1127087873 /nfs/dbraw/zinc/08/78/73/1127087873.db2.gz PODFPTUALZIMKJ-QMMMGPOBSA-N 0 1 284.190 3.876 20 0 CHADMN Cc1cccc([C@H](C)N[C@H](CO)c2ccc(F)cc2)c1 ZINC000271509017 1127088014 /nfs/dbraw/zinc/08/80/14/1127088014.db2.gz RZEPYUMLVRRSCR-SUMWQHHRSA-N 0 1 273.351 3.518 20 0 CHADMN CC(C)c1ccccc1NC(=O)c1ccc2n1CCN[C@H]2C ZINC000911931460 1127090494 /nfs/dbraw/zinc/09/04/94/1127090494.db2.gz PBMLMLRIHJEUMJ-ZDUSSCGKSA-N 0 1 297.402 3.528 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](CO)c2ccc(F)cc2)cc1 ZINC000271545234 1127091018 /nfs/dbraw/zinc/09/10/18/1127091018.db2.gz ZDMZEMJPDNSYSR-CXAGYDPISA-N 0 1 273.351 3.518 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](CC)c2ccc(CC)cc2)n[nH]1 ZINC000271560930 1127091864 /nfs/dbraw/zinc/09/18/64/1127091864.db2.gz UIJUTDNFPXSVJJ-IUODEOHRSA-N 0 1 286.423 3.731 20 0 CHADMN CC[C@@H](CN[C@H](C)c1cscn1)Oc1cccc(C)c1 ZINC000271564997 1127092346 /nfs/dbraw/zinc/09/23/46/1127092346.db2.gz YGLLERJTBPNSQL-KGLIPLIRSA-N 0 1 290.432 3.960 20 0 CHADMN Cc1nc([C@H](C)N[C@H]2C[C@@H]2Cc2ccccc2)cs1 ZINC000271571308 1127092911 /nfs/dbraw/zinc/09/29/11/1127092911.db2.gz ZEGLUPBVPFIJHS-CQDKDKBSSA-N 0 1 272.417 3.733 20 0 CHADMN CCc1noc(C)c1CN[C@H](C)c1ccc(C)cc1 ZINC000271688622 1127096186 /nfs/dbraw/zinc/09/61/86/1127096186.db2.gz QGJHAGUEVUKLGJ-GFCCVEGCSA-N 0 1 258.365 3.705 20 0 CHADMN N[C@@H](C(=O)NC1CCCCCCC1)c1cccc(Cl)c1 ZINC000150688521 1127096873 /nfs/dbraw/zinc/09/68/73/1127096873.db2.gz ZSGJBSOJMXWLNW-OAHLLOKOSA-N 0 1 294.826 3.569 20 0 CHADMN CCC[C@H](C)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000273887231 1127101502 /nfs/dbraw/zinc/10/15/02/1127101502.db2.gz LFYLZJRGDPKSOK-VIFPVBQESA-N 0 1 256.309 3.517 20 0 CHADMN CCC(CC)[C@@H](N[C@H](C)c1cnn(C)n1)c1cccs1 ZINC000924847337 1127105576 /nfs/dbraw/zinc/10/55/76/1127105576.db2.gz CKAZKFOWEXXJNX-IAQYHMDHSA-N 0 1 292.452 3.705 20 0 CHADMN CC1(C)CC[C@H](NCc2ncc(-c3ccccc3)cn2)C1 ZINC000274051646 1127106223 /nfs/dbraw/zinc/10/62/23/1127106223.db2.gz LJJOYKBTCQTUNL-INIZCTEOSA-N 0 1 281.403 3.812 20 0 CHADMN CCc1ccc(CN2CCc3cccc(C)c3C2)nc1 ZINC000339126265 1127114694 /nfs/dbraw/zinc/11/46/94/1127114694.db2.gz WIBIZOUBYQQOBI-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN Cc1ncc(CN(C)Cc2cccc3ccccc32)cn1 ZINC000339164843 1127117683 /nfs/dbraw/zinc/11/76/83/1127117683.db2.gz DAUVNINZBMKJFS-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN c1ccc(CNCc2ccc(C3CCC3)cc2)nc1 ZINC000339173687 1127117713 /nfs/dbraw/zinc/11/77/13/1127117713.db2.gz QVDSHMSUQBHKHM-UHFFFAOYSA-N 0 1 252.361 3.639 20 0 CHADMN Cc1cccc(C2(NCc3n[nH]c(C(C)(C)C)n3)CCC2)c1 ZINC000646022507 1127117692 /nfs/dbraw/zinc/11/76/92/1127117692.db2.gz LAPCELPXZYWPAF-UHFFFAOYSA-N 0 1 298.434 3.580 20 0 CHADMN Cc1cc([C@@H](C)NCc2cc(O)cc(F)c2)ccc1F ZINC000274402477 1127117921 /nfs/dbraw/zinc/11/79/21/1127117921.db2.gz GGJOLJIBLJJRLI-LLVKDONJSA-N 0 1 277.314 3.830 20 0 CHADMN CCSc1cccc(CNCc2cncs2)c1 ZINC000274490105 1127120161 /nfs/dbraw/zinc/12/01/61/1127120161.db2.gz ZOPZVCDLQUXPOV-UHFFFAOYSA-N 0 1 264.419 3.545 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@H](c3ccccc3)[C@@H]2C)s1 ZINC000283052040 1127121437 /nfs/dbraw/zinc/12/14/37/1127121437.db2.gz IYQDRNHUOZOPJI-HUBLWGQQSA-N 0 1 287.432 3.786 20 0 CHADMN Fc1ccccc1N1CCCN(Cc2ccsc2)CC1 ZINC000348785188 1127127478 /nfs/dbraw/zinc/12/74/78/1127127478.db2.gz RGSXETSXIWUPAE-UHFFFAOYSA-N 0 1 290.407 3.600 20 0 CHADMN CO[C@H](C)CN(C)Cc1c(Cl)oc2ccccc21 ZINC000348835769 1127130236 /nfs/dbraw/zinc/13/02/36/1127130236.db2.gz UNHJSZRNTMQMFU-SNVBAGLBSA-N 0 1 267.756 3.553 20 0 CHADMN Cc1noc([C@@H]2CCCCN2C[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000348836989 1127130735 /nfs/dbraw/zinc/13/07/35/1127130735.db2.gz ZAGFYCIVLWVVBN-ULQDDVLXSA-N 0 1 297.402 3.709 20 0 CHADMN ClC1(Cl)C[C@@H]1CN(Cc1cccs1)C1CC1 ZINC000913396212 1127131989 /nfs/dbraw/zinc/13/19/89/1127131989.db2.gz RMQFIOZSZTXDOD-SECBINFHSA-N 0 1 276.232 3.906 20 0 CHADMN CCN(Cc1cccn1CCC(C)C)Cc1ccncc1 ZINC000348892889 1127133084 /nfs/dbraw/zinc/13/30/84/1127133084.db2.gz JVQPFLXJYQCRCY-UHFFFAOYSA-N 0 1 285.435 3.951 20 0 CHADMN CC(C)OCC[C@@H](O)C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000349218812 1127143543 /nfs/dbraw/zinc/14/35/43/1127143543.db2.gz PVUBNCOQRSNNSU-ZIAGYGMSSA-N 0 1 299.842 3.509 20 0 CHADMN CCOC(=O)[C@H]1CC[C@@H](NCc2ccco2)c2ccccc21 ZINC000283496062 1127139670 /nfs/dbraw/zinc/13/96/70/1127139670.db2.gz YKBYTIWKSQVSAH-DLBZAZTESA-N 0 1 299.370 3.551 20 0 CHADMN Cc1ccc(C)c([C@H](C)N[C@@H](CO)c2ccsc2)c1 ZINC000349354798 1127148324 /nfs/dbraw/zinc/14/83/24/1127148324.db2.gz MUZWUAVAAGBVQM-BBRMVZONSA-N 0 1 275.417 3.749 20 0 CHADMN Cc1cc(Br)c(CN2CCCC[C@H]2C)cc1O ZINC001237294947 1131078116 /nfs/dbraw/zinc/07/81/16/1131078116.db2.gz OHDTVCUVGGPMTA-LLVKDONJSA-N 0 1 298.224 3.838 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](CO)c2ccsc2)cc1C ZINC000349378033 1127149376 /nfs/dbraw/zinc/14/93/76/1127149376.db2.gz KJYNWJBSLJHSQS-CJNGLKHVSA-N 0 1 275.417 3.749 20 0 CHADMN C[C@]1(c2ccccc2)CN(C[C@H]2CCC(F)(F)C2)CCO1 ZINC000571016638 1127152108 /nfs/dbraw/zinc/15/21/08/1127152108.db2.gz FHOWUVJZZPKFIM-GOEBONIOSA-N 0 1 295.373 3.669 20 0 CHADMN CCN(Cc1cnc2cccc(C)n12)Cc1cccc(F)c1 ZINC000349576772 1127154198 /nfs/dbraw/zinc/15/41/98/1127154198.db2.gz FCBDHGBJLPPAQD-UHFFFAOYSA-N 0 1 297.377 3.804 20 0 CHADMN COCCN(Cc1cccs1)Cc1sccc1C ZINC000349560220 1127154787 /nfs/dbraw/zinc/15/47/87/1127154787.db2.gz AHTTZGHULLZILT-UHFFFAOYSA-N 0 1 281.446 3.767 20 0 CHADMN Cc1cc(-c2noc([C@H]3C[C@H]3C(C)C)n2)cc2nc[nH]c21 ZINC000570968511 1127151161 /nfs/dbraw/zinc/15/11/61/1127151161.db2.gz GAPKTLVZWWMSHH-RYUDHWBXSA-N 0 1 282.347 3.681 20 0 CHADMN Fc1ccc(C2(CNCc3ncc(Cl)s3)CC2)cc1 ZINC000349666278 1127157559 /nfs/dbraw/zinc/15/75/59/1127157559.db2.gz KHJBITHDCBZCBU-UHFFFAOYSA-N 0 1 296.798 3.757 20 0 CHADMN FC(F)SCc1ccc(CN[C@H]2C=CCC2)o1 ZINC000698173795 1127158879 /nfs/dbraw/zinc/15/88/79/1127158879.db2.gz BWOPVLVQVOPCRZ-VIFPVBQESA-N 0 1 259.321 3.544 20 0 CHADMN COc1cc(C[N@@H+](Cc2ccco2)C(C)C)cc(OC)c1 ZINC000349818420 1127162800 /nfs/dbraw/zinc/16/28/00/1127162800.db2.gz IYEQIZYCZVCILR-UHFFFAOYSA-N 0 1 289.375 3.707 20 0 CHADMN COc1cc(CN(Cc2ccco2)C(C)C)cc(OC)c1 ZINC000349818420 1127162801 /nfs/dbraw/zinc/16/28/01/1127162801.db2.gz IYEQIZYCZVCILR-UHFFFAOYSA-N 0 1 289.375 3.707 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(F)cc1F ZINC000283897473 1127163120 /nfs/dbraw/zinc/16/31/20/1127163120.db2.gz CTWHLGZKPJUAMV-ZUZCIYMTSA-N 0 1 279.334 3.880 20 0 CHADMN CC(C)[N@@H+](Cc1ccco1)Cc1cc(F)cc(F)c1 ZINC000349833793 1127163572 /nfs/dbraw/zinc/16/35/72/1127163572.db2.gz VLZILLRYPFYYHW-UHFFFAOYSA-N 0 1 265.303 3.968 20 0 CHADMN CC(C)N(Cc1ccco1)Cc1cc(F)cc(F)c1 ZINC000349833793 1127163574 /nfs/dbraw/zinc/16/35/74/1127163574.db2.gz VLZILLRYPFYYHW-UHFFFAOYSA-N 0 1 265.303 3.968 20 0 CHADMN CCO[C@H](CC)c1noc(-c2ccc(O)c(Cl)c2)n1 ZINC000157372392 1127164329 /nfs/dbraw/zinc/16/43/29/1127164329.db2.gz SAWODNCTVVCHCA-LLVKDONJSA-N 0 1 282.727 3.583 20 0 CHADMN CC(C)c1cccc(CN2CCC(=O)[C@@H](C)CC2)c1 ZINC001237455659 1131099462 /nfs/dbraw/zinc/09/94/62/1131099462.db2.gz BFYLYNQTXKKWIS-AWEZNQCLSA-N 0 1 259.393 3.611 20 0 CHADMN CCCCCc1cc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)n[nH]1 ZINC000669226797 1127165146 /nfs/dbraw/zinc/16/51/46/1127165146.db2.gz VUAUEORSJINPTB-BBRMVZONSA-N 0 1 289.423 3.547 20 0 CHADMN CC(=O)CCN(Cc1cc(F)ccc1F)C1CCCC1 ZINC000156710401 1127166048 /nfs/dbraw/zinc/16/60/48/1127166048.db2.gz JQOUXMWBOGJWJB-UHFFFAOYSA-N 0 1 281.346 3.689 20 0 CHADMN COC(=O)c1ccc(CN([C@H](C)c2ccccc2)C2CC2)o1 ZINC000349922112 1127168119 /nfs/dbraw/zinc/16/81/19/1127168119.db2.gz ZOSUUCQLJWZSDV-CYBMUJFWSA-N 0 1 299.370 3.792 20 0 CHADMN Cc1ncc(CN([C@H](C)c2ccccc2)C2CC2)cn1 ZINC000349943562 1127168134 /nfs/dbraw/zinc/16/81/34/1127168134.db2.gz HESPVYMBRGXIRI-CYBMUJFWSA-N 0 1 267.376 3.511 20 0 CHADMN CCc1ncc(CN(C)[C@H]2CCc3ccccc32)s1 ZINC000350000085 1127170108 /nfs/dbraw/zinc/17/01/08/1127170108.db2.gz HLMFZWRVXMVGBS-HNNXBMFYSA-N 0 1 272.417 3.825 20 0 CHADMN CN(Cc1ccn(C)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000350054258 1127170701 /nfs/dbraw/zinc/17/07/01/1127170701.db2.gz PVNXVHHSTOKDGP-UHFFFAOYSA-N 0 1 283.202 3.964 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)Nc2cccc(C)c2C)c1 ZINC000588078238 1127173109 /nfs/dbraw/zinc/17/31/09/1127173109.db2.gz XVCRDFRZOYUUGE-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc3c(n2)CCC3)ccc1F ZINC000571859120 1127179259 /nfs/dbraw/zinc/17/92/59/1127179259.db2.gz WCJWXRXMXXPWSY-CYBMUJFWSA-N 0 1 284.378 3.869 20 0 CHADMN Cc1cc([C@H](C)NC[C@H](C)Oc2ccc(Cl)cc2)no1 ZINC000284287811 1127180185 /nfs/dbraw/zinc/18/01/85/1127180185.db2.gz XSFVBKGPJNIPPQ-RYUDHWBXSA-N 0 1 294.782 3.755 20 0 CHADMN Cc1cc(CN[C@H](CC2CCC2)c2ccccc2)nn1C ZINC000351094278 1127185752 /nfs/dbraw/zinc/18/57/52/1127185752.db2.gz CSNCYWWJUHEVER-GOSISDBHSA-N 0 1 283.419 3.750 20 0 CHADMN CCc1nocc1CN1CCC[C@@H]1c1ccccc1OC ZINC000351303615 1127186826 /nfs/dbraw/zinc/18/68/26/1127186826.db2.gz NAUGOCWTVSJRDE-MRXNPFEDSA-N 0 1 286.375 3.583 20 0 CHADMN CCO[C@H]1C[C@@H](N(C)Cc2cc(C)no2)C12CCCCC2 ZINC000351512045 1127190631 /nfs/dbraw/zinc/19/06/31/1127190631.db2.gz DOQQTKXVKHLBGV-CVEARBPZSA-N 0 1 292.423 3.543 20 0 CHADMN Fc1cccc(CNc2nccn2Cc2ccccc2)c1 ZINC000351562363 1127193645 /nfs/dbraw/zinc/19/36/45/1127193645.db2.gz AFZOIDXGKQHCMT-UHFFFAOYSA-N 0 1 281.334 3.683 20 0 CHADMN Cc1occc1CN(C)CCOc1ccccc1Cl ZINC000351571438 1127194272 /nfs/dbraw/zinc/19/42/72/1127194272.db2.gz YNMLLALLSKHAKZ-UHFFFAOYSA-N 0 1 279.767 3.752 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN(C)CCC(=O)OC(C)(C)C)o1 ZINC000351566499 1127194375 /nfs/dbraw/zinc/19/43/75/1127194375.db2.gz DHDRYCAOFBJMOF-OCCSQVGLSA-N 0 1 293.407 3.567 20 0 CHADMN CC(C)(C)OC(=O)CCN(Cc1ccccc1F)C1CC1 ZINC000351604143 1127197126 /nfs/dbraw/zinc/19/71/26/1127197126.db2.gz VBIUYJMJQSRINO-UHFFFAOYSA-N 0 1 293.382 3.522 20 0 CHADMN CCCN(Cc1cnc(C)nc1)[C@@H](C)c1ccccc1OC ZINC000351609162 1127198412 /nfs/dbraw/zinc/19/84/12/1127198412.db2.gz SRWROIBMJUXTPO-AWEZNQCLSA-N 0 1 299.418 3.767 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1cccc(O)c1Cl ZINC000351638807 1127199814 /nfs/dbraw/zinc/19/98/14/1127199814.db2.gz ANLFIMCSQJGBAJ-SNVBAGLBSA-N 0 1 273.829 3.619 20 0 CHADMN CSCC[C@@H](C)[N@H+](C)Cc1cccc([O-])c1Cl ZINC000351638807 1127199816 /nfs/dbraw/zinc/19/98/16/1127199816.db2.gz ANLFIMCSQJGBAJ-SNVBAGLBSA-N 0 1 273.829 3.619 20 0 CHADMN CSCC[C@@H](C)[N@@H+](C)Cc1cccc([O-])c1Cl ZINC000351638807 1127199819 /nfs/dbraw/zinc/19/98/19/1127199819.db2.gz ANLFIMCSQJGBAJ-SNVBAGLBSA-N 0 1 273.829 3.619 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N(CC)[C@H](C)C(C)C)o1 ZINC000588792615 1127200780 /nfs/dbraw/zinc/20/07/80/1127200780.db2.gz KAKXAQYZHBHTBP-CQSZACIVSA-N 0 1 294.439 3.628 20 0 CHADMN C[C@@H](O)[C@@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 ZINC000543748535 1127203658 /nfs/dbraw/zinc/20/36/58/1127203658.db2.gz XCUGCJKIQJAOTD-GHMZBOCLSA-N 0 1 288.218 3.586 20 0 CHADMN CC(C)N(C(=O)CN1CCC(C)(C)CC1)c1ccccc1 ZINC000588903679 1127204241 /nfs/dbraw/zinc/20/42/41/1127204241.db2.gz HGEWYLBYJRIFHA-UHFFFAOYSA-N 0 1 288.435 3.550 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCC(C)(C)CC2)n1 ZINC000588905093 1127204614 /nfs/dbraw/zinc/20/46/14/1127204614.db2.gz YXZIRSGVJSBZSY-UHFFFAOYSA-N 0 1 285.391 3.667 20 0 CHADMN CN(Cc1ccc[nH]1)Cc1ccc(C2CCC2)cc1 ZINC000351732876 1127206657 /nfs/dbraw/zinc/20/66/57/1127206657.db2.gz VFBAVPFLLBQQIS-UHFFFAOYSA-N 0 1 254.377 3.914 20 0 CHADMN Oc1ccc2c(c1)CN(Cc1coc3ccccc13)CC2 ZINC000351958900 1127214810 /nfs/dbraw/zinc/21/48/10/1127214810.db2.gz MCESKRKPJSGIBY-UHFFFAOYSA-N 0 1 279.339 3.697 20 0 CHADMN Cc1cc([C@H](C)NCCCOc2cccc(C)c2C)no1 ZINC000284915051 1127211645 /nfs/dbraw/zinc/21/16/45/1127211645.db2.gz CUTVHTYORWFMGP-HNNXBMFYSA-N 0 1 288.391 3.720 20 0 CHADMN O=C(CCC1CCCCC1)Nc1cnn(-c2ccncc2)c1 ZINC000589076399 1127212229 /nfs/dbraw/zinc/21/22/29/1127212229.db2.gz NGHGWBHBXWFUCC-UHFFFAOYSA-N 0 1 298.390 3.566 20 0 CHADMN C[C@H](F)CCN1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000351879178 1127213280 /nfs/dbraw/zinc/21/32/80/1127213280.db2.gz HKZGAJKFHXGKSQ-UWVGGRQHSA-N 0 1 257.299 3.632 20 0 CHADMN CCc1nnc(CN2CCC[C@@](C)(c3ccccc3)CC2)o1 ZINC000285400694 1127225907 /nfs/dbraw/zinc/22/59/07/1127225907.db2.gz OREYPWQNJQYADR-GOSISDBHSA-N 0 1 299.418 3.576 20 0 CHADMN CCOc1ccc(CNC(C)(C)c2c(C)noc2C)cc1 ZINC000285449951 1127228160 /nfs/dbraw/zinc/22/81/60/1127228160.db2.gz IUXNQRGEUVLDKO-UHFFFAOYSA-N 0 1 288.391 3.715 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000352397969 1127228523 /nfs/dbraw/zinc/22/85/23/1127228523.db2.gz NCXQRRVHZCMDPG-NHYWBVRUSA-N 0 1 293.773 3.684 20 0 CHADMN Cc1ccc(CN2C[C@H](c3ccccc3)OC[C@H]2C)cc1 ZINC000589604902 1127229266 /nfs/dbraw/zinc/22/92/66/1127229266.db2.gz GLUZGOOKVRVUHY-VQIMIIECSA-N 0 1 281.399 3.957 20 0 CHADMN Cc1ccccc1CN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000589604713 1127229497 /nfs/dbraw/zinc/22/94/97/1127229497.db2.gz JGDFJHMZPWCUQD-QFBILLFUSA-N 0 1 281.399 3.957 20 0 CHADMN Fc1cc(F)cc(CNCc2ccc3cccnc3c2)c1 ZINC000589639219 1127230897 /nfs/dbraw/zinc/23/08/97/1127230897.db2.gz XBRCSNXSMRQRFT-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN(C)CCC(C)C ZINC000589597641 1127231119 /nfs/dbraw/zinc/23/11/19/1127231119.db2.gz UKHKONSTYYZJPE-UHFFFAOYSA-N 0 1 277.387 3.673 20 0 CHADMN CC[C@H](NCc1cc(C)n[nH]1)c1cccc(Cl)c1 ZINC000589640275 1127232481 /nfs/dbraw/zinc/23/24/81/1127232481.db2.gz HGIFDCYZFYCSHI-AWEZNQCLSA-N 0 1 263.772 3.612 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccccc2C(F)(F)F)[nH]n1 ZINC000589644557 1127232498 /nfs/dbraw/zinc/23/24/98/1127232498.db2.gz SYPABEAMHGZPDA-SNVBAGLBSA-N 0 1 283.297 3.588 20 0 CHADMN COc1ccccc1[C@@H]1CC[C@@H](C)CN1Cc1ccno1 ZINC000285493682 1127232973 /nfs/dbraw/zinc/23/29/73/1127232973.db2.gz POZUOCGTVJFSTA-CJNGLKHVSA-N 0 1 286.375 3.656 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cc(C)ccn2)c(C)c1 ZINC000285516826 1127235087 /nfs/dbraw/zinc/23/50/87/1127235087.db2.gz DRALGPDNNDEAAT-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1cccc2[nH]ccc21 ZINC000285561958 1127237643 /nfs/dbraw/zinc/23/76/43/1127237643.db2.gz SOGMHAUNMBHJJA-UHFFFAOYSA-N 0 1 283.375 3.798 20 0 CHADMN COc1ccc(CN[C@H](c2ncc[nH]2)C2CCCCC2)cc1 ZINC000285568942 1127238133 /nfs/dbraw/zinc/23/81/33/1127238133.db2.gz HTFKMARVRBDXBA-KRWDZBQOSA-N 0 1 299.418 3.830 20 0 CHADMN C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ccon2)C1 ZINC000285645791 1127239846 /nfs/dbraw/zinc/23/98/46/1127239846.db2.gz SALFOTRHECWMSI-BBRMVZONSA-N 0 1 256.349 3.648 20 0 CHADMN C[C@H]1CC[C@@H](c2ccccc2)N(Cc2ccon2)C1 ZINC000285645791 1127239850 /nfs/dbraw/zinc/23/98/50/1127239850.db2.gz SALFOTRHECWMSI-BBRMVZONSA-N 0 1 256.349 3.648 20 0 CHADMN c1csc(CN[C@@H](c2ncc[nH]2)C2CCCCC2)c1 ZINC000285687767 1127240563 /nfs/dbraw/zinc/24/05/63/1127240563.db2.gz OIKMDQDTSYVGOG-CQSZACIVSA-N 0 1 275.421 3.882 20 0 CHADMN Cc1cnc(CN2C[C@H](C)CC[C@H]2c2ccccc2)o1 ZINC000285702108 1127240820 /nfs/dbraw/zinc/24/08/20/1127240820.db2.gz VYTFTXQENHPMCH-CJNGLKHVSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@@H]2CCCc3occc32)c1 ZINC000285855783 1127245316 /nfs/dbraw/zinc/24/53/16/1127245316.db2.gz YDAMIUHCCJXBHA-TZMCWYRMSA-N 0 1 256.349 3.711 20 0 CHADMN CCc1cccc(CC)c1NC(=O)CN1CCC[C@@H]1CC ZINC000590062025 1127247380 /nfs/dbraw/zinc/24/73/80/1127247380.db2.gz OZYJYCXZNWIZSG-INIZCTEOSA-N 0 1 288.435 3.624 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc(C2CCC2)cc1 ZINC000352876180 1127247701 /nfs/dbraw/zinc/24/77/01/1127247701.db2.gz LUMCUUWBGXCFLC-UHFFFAOYSA-N 0 1 266.388 3.981 20 0 CHADMN C[C@H](NC1CC(c2ccccc2Cl)C1)c1ccon1 ZINC000352897395 1127248702 /nfs/dbraw/zinc/24/87/02/1127248702.db2.gz MAJRPPIQQKGFFT-UNXYVOJBSA-N 0 1 276.767 3.925 20 0 CHADMN COc1ccc2nc(S[C@@H]3C=CCCC3)[nH]c2c1 ZINC000590385699 1127255942 /nfs/dbraw/zinc/25/59/42/1127255942.db2.gz RKAJQGTVAUXWBV-LLVKDONJSA-N 0 1 260.362 3.772 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2cnc(F)cc2Cl)CC1 ZINC001238033404 1131163640 /nfs/dbraw/zinc/16/36/40/1131163640.db2.gz OGJVFOKQIPFNKD-UMSPYCQHSA-N 0 1 270.779 3.885 20 0 CHADMN COCC[C@@H](N[C@H](C)c1cnccc1C)c1ccc(C)o1 ZINC000352970386 1127255091 /nfs/dbraw/zinc/25/50/91/1127255091.db2.gz UTMGIMJLFPONHD-GDBMZVCRSA-N 0 1 288.391 3.720 20 0 CHADMN COc1cccc(C2(N[C@@H](C)c3cc(C)ccn3)CC2)c1 ZINC000286176930 1127261951 /nfs/dbraw/zinc/26/19/51/1127261951.db2.gz QDRIVYGTPVNVJZ-AWEZNQCLSA-N 0 1 282.387 3.739 20 0 CHADMN Cc1ccnc([C@H](C)N[C@@H](C)c2cccc(O)c2)c1 ZINC000286281750 1127264808 /nfs/dbraw/zinc/26/48/08/1127264808.db2.gz VSXLCHASSPKHBM-STQMWFEESA-N 0 1 256.349 3.507 20 0 CHADMN C[C@@H]1CCCCCN1Cc1csc(-c2ccccn2)n1 ZINC000353513091 1127269123 /nfs/dbraw/zinc/26/91/23/1127269123.db2.gz VZECWFOPRKKGQA-CYBMUJFWSA-N 0 1 287.432 3.970 20 0 CHADMN Cc1ccccc1C1CC(N(Cc2cc[nH]n2)C2CC2)C1 ZINC000353663200 1127272091 /nfs/dbraw/zinc/27/20/91/1127272091.db2.gz CMYLVUYMYMLKEP-UHFFFAOYSA-N 0 1 281.403 3.629 20 0 CHADMN Cc1cccn2c(CN3Cc4ccccc4C[C@@H]3C)cnc12 ZINC000353663681 1127273068 /nfs/dbraw/zinc/27/30/68/1127273068.db2.gz FETWUFGDJOAONP-HNNXBMFYSA-N 0 1 291.398 3.590 20 0 CHADMN CCCC[N@@H+](CCC)Cc1ccc(C(=O)[O-])cc1C ZINC001238141452 1131173675 /nfs/dbraw/zinc/17/36/75/1131173675.db2.gz WULOKMRYGAFOEX-UHFFFAOYSA-N 0 1 263.381 3.705 20 0 CHADMN c1sc(Nc2ccccc2)nc1CN1CCC[C@H]1C1CC1 ZINC000590820171 1127274909 /nfs/dbraw/zinc/27/49/09/1127274909.db2.gz KRLQCGCBUPPJSS-INIZCTEOSA-N 0 1 299.443 3.683 20 0 CHADMN CC[C@@H]1CN(Cc2ccc([C@@H]3C[C@@H]3C)o2)CCS1 ZINC000353902777 1127277286 /nfs/dbraw/zinc/27/72/86/1127277286.db2.gz VCHVUKFBWBHBIY-IACUBPJLSA-N 0 1 265.422 3.730 20 0 CHADMN CC(C)=CCN1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000590946806 1127279331 /nfs/dbraw/zinc/27/93/31/1127279331.db2.gz XQZUCULPSZBVFW-AWEZNQCLSA-N 0 1 294.389 3.610 20 0 CHADMN CC1(C)CN(CCO[C@@H]2CCCCO2)[C@@H]1c1cccs1 ZINC000286997446 1127280815 /nfs/dbraw/zinc/28/08/15/1127280815.db2.gz PWIQBNOWBPKPEE-HUUCEWRRSA-N 0 1 295.448 3.674 20 0 CHADMN CC1(C)CN(CCO[C@H]2CCCCO2)[C@@H]1c1cccs1 ZINC000286998894 1127280933 /nfs/dbraw/zinc/28/09/33/1127280933.db2.gz PWIQBNOWBPKPEE-LSDHHAIUSA-N 0 1 295.448 3.674 20 0 CHADMN C[C@@H](NCC1(C(F)(F)F)CC1)c1ccc(Cl)cn1 ZINC000353988407 1127282903 /nfs/dbraw/zinc/28/29/03/1127282903.db2.gz VMOPOSSYCDOOGV-MRVPVSSYSA-N 0 1 278.705 3.728 20 0 CHADMN CCn1cc(CN[C@@H](C)c2cc3ccc(C)cc3o2)cn1 ZINC000353979306 1127282962 /nfs/dbraw/zinc/28/29/62/1127282962.db2.gz QBXXTZBOXFFYPU-ZDUSSCGKSA-N 0 1 283.375 3.808 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1csc(COC)n1 ZINC000353997025 1127284029 /nfs/dbraw/zinc/28/40/29/1127284029.db2.gz HFJVJCUZNDGMPY-GXTWGEPZSA-N 0 1 282.453 3.690 20 0 CHADMN CC[C@H](C)[C@H](C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000287051351 1127284808 /nfs/dbraw/zinc/28/48/08/1127284808.db2.gz UDMZQEKTBQRKHK-YUMQZZPRSA-N 0 1 273.735 3.805 20 0 CHADMN COc1ccc(Cl)cc1CN1CCC[C@H]1CSC ZINC000354078278 1127290637 /nfs/dbraw/zinc/29/06/37/1127290637.db2.gz POGAUEVSACXWBS-ZDUSSCGKSA-N 0 1 285.840 3.676 20 0 CHADMN C[C@H]1CC/C(=C\C(=O)Nc2cc(Cl)c(O)cc2F)C1 ZINC000287074119 1127286583 /nfs/dbraw/zinc/28/65/83/1127286583.db2.gz VKPWRYOCRLDSEN-MOIHINDBSA-N 0 1 283.730 3.870 20 0 CHADMN Cc1oc2ccccc2c1CN(C)Cc1ccc[nH]1 ZINC000354044317 1127287971 /nfs/dbraw/zinc/28/79/71/1127287971.db2.gz IAUIGPJVAOWYBY-UHFFFAOYSA-N 0 1 254.333 3.701 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccc(Cl)cc1)c1ccccn1 ZINC000287092890 1127288453 /nfs/dbraw/zinc/28/84/53/1127288453.db2.gz POABGRDLKBCRCJ-WBMJQRKESA-N 0 1 290.794 3.509 20 0 CHADMN CSC[C@@H]1CCCN1Cc1cc(Cl)ccc1F ZINC000354100042 1127292140 /nfs/dbraw/zinc/29/21/40/1127292140.db2.gz JQLNXKAAHMYMOI-LBPRGKRZSA-N 0 1 273.804 3.807 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+](C(CC)CC)C1CC1 ZINC000573126272 1127292886 /nfs/dbraw/zinc/29/28/86/1127292886.db2.gz MVFVSHTUDLSJFB-UHFFFAOYSA-N 0 1 279.380 3.693 20 0 CHADMN CC(C)n1nccc1CN[C@@H]1CCc2cc(Cl)ccc21 ZINC000354148132 1127296556 /nfs/dbraw/zinc/29/65/56/1127296556.db2.gz WMSXZVMYXXQHOM-MRXNPFEDSA-N 0 1 289.810 3.895 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccc(Cl)cc1)c1ccncc1 ZINC000287206091 1127296589 /nfs/dbraw/zinc/29/65/89/1127296589.db2.gz WPCBALPWGNIOMS-BLLLJJGKSA-N 0 1 290.794 3.509 20 0 CHADMN CCOC(=O)c1coc(CN[C@@H](CC)c2ccccc2)c1 ZINC000354187519 1127298100 /nfs/dbraw/zinc/29/81/00/1127298100.db2.gz HQJYOVOXYKRDSE-INIZCTEOSA-N 0 1 287.359 3.697 20 0 CHADMN Cc1occc1CN(C)CCOC1CCCCCC1 ZINC000354243537 1127299999 /nfs/dbraw/zinc/29/99/99/1127299999.db2.gz LEELEBSZSSAVQG-UHFFFAOYSA-N 0 1 265.397 3.759 20 0 CHADMN CCCOc1ccc([C@H](C)N[C@@H](C)c2ccnnc2)cc1 ZINC000924859147 1127300421 /nfs/dbraw/zinc/30/04/21/1127300421.db2.gz QNHNXWBFMKFLKH-KBPBESRZSA-N 0 1 285.391 3.677 20 0 CHADMN Cc1cc(CN2CCCC23CC3)c(F)cc1Cl ZINC001238301479 1131188430 /nfs/dbraw/zinc/18/84/30/1131188430.db2.gz YILGFTBJEGFJQD-UHFFFAOYSA-N 0 1 253.748 3.916 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2ccc(C)nc2)c1 ZINC000573314177 1127306920 /nfs/dbraw/zinc/30/69/20/1127306920.db2.gz ISQKOPSJEDTLLR-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN CO[C@@H](C)CN(Cc1coc(-c2cccs2)n1)C(C)C ZINC000354450674 1127308812 /nfs/dbraw/zinc/30/88/12/1127308812.db2.gz JVCAVBAHRWPWCK-LBPRGKRZSA-N 0 1 294.420 3.648 20 0 CHADMN CC[C@H](NCc1[nH]nc2ccccc21)c1nc(C)cs1 ZINC000591726423 1127315639 /nfs/dbraw/zinc/31/56/39/1127315639.db2.gz PVFQNEUUGDJPJV-LBPRGKRZSA-N 0 1 286.404 3.569 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000573499407 1127315993 /nfs/dbraw/zinc/31/59/93/1127315993.db2.gz JORHDTBKJJIDHQ-HNNXBMFYSA-N 0 1 293.382 3.925 20 0 CHADMN CCC[C@H](NCc1n[nH]c2ccccc12)c1ccccn1 ZINC000591699051 1127313943 /nfs/dbraw/zinc/31/39/43/1127313943.db2.gz KVELVDVNGRODJJ-HNNXBMFYSA-N 0 1 280.375 3.589 20 0 CHADMN CCC[C@H](NCc1[nH]nc2ccccc21)c1ccccn1 ZINC000591699051 1127313946 /nfs/dbraw/zinc/31/39/46/1127313946.db2.gz KVELVDVNGRODJJ-HNNXBMFYSA-N 0 1 280.375 3.589 20 0 CHADMN CCCc1ccc(CNCc2cnc(C)s2)cc1 ZINC000591709769 1127314855 /nfs/dbraw/zinc/31/48/55/1127314855.db2.gz SMCPVROGTITIFS-UHFFFAOYSA-N 0 1 260.406 3.694 20 0 CHADMN Cc1ccc(OC(C)C)cc1CN1C[C@@H](C)[C@@H](F)C1 ZINC001238478219 1131205115 /nfs/dbraw/zinc/20/51/15/1131205115.db2.gz VBAUJNDPQXXTPJ-CJNGLKHVSA-N 0 1 265.372 3.572 20 0 CHADMN CC[C@@H](C)[C@H](C)N(C(=O)c1cc(C)cc2c[nH]nc21)C1CC1 ZINC000355184880 1127322966 /nfs/dbraw/zinc/32/29/66/1127322966.db2.gz RBECWSDASOYOCQ-OLZOCXBDSA-N 0 1 299.418 3.911 20 0 CHADMN CO[C@]1(C)CCCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000355227000 1127327381 /nfs/dbraw/zinc/32/73/81/1127327381.db2.gz VGSFBAQQEWZLHH-MRXNPFEDSA-N 0 1 294.464 3.802 20 0 CHADMN Cc1ccc2cc(CN3C[C@H](C)O[C@@H](C4CC4)C3)ccc2n1 ZINC000355225066 1127327671 /nfs/dbraw/zinc/32/76/71/1127327671.db2.gz RHRNGFQMDHOJNA-IFXJQAMLSA-N 0 1 296.414 3.543 20 0 CHADMN Cc1nc([C@H]2CCCN2C[C@@H](O)C2CCCCC2)cs1 ZINC000355271296 1127329981 /nfs/dbraw/zinc/32/99/81/1127329981.db2.gz FZWLPTAOCAQNAJ-HZPDHXFCSA-N 0 1 294.464 3.530 20 0 CHADMN O=C([O-])[C@@H](CC[N@H+]1CCC[C@H]1C1CCC1)c1ccccc1 ZINC000573927521 1127331404 /nfs/dbraw/zinc/33/14/04/1127331404.db2.gz OKDHSCHAGAMXIH-IRXDYDNUSA-N 0 1 287.403 3.509 20 0 CHADMN C[C@H](CCN1CCC[C@@H]1c1ncc[nH]1)OCc1ccccc1 ZINC000355302809 1127332529 /nfs/dbraw/zinc/33/25/29/1127332529.db2.gz CMTJYTQCHZQLFK-NVXWUHKLSA-N 0 1 299.418 3.542 20 0 CHADMN CN(Cc1cccn1C)Cc1ccc(SC(F)F)cc1 ZINC000760937755 1127337830 /nfs/dbraw/zinc/33/78/30/1127337830.db2.gz BKTBSCCBNUWAPO-UHFFFAOYSA-N 0 1 296.386 3.972 20 0 CHADMN Cc1n[nH]cc1CN1CC=C(c2cccc(Cl)c2)CC1 ZINC000355429980 1127341059 /nfs/dbraw/zinc/34/10/59/1127341059.db2.gz YRYKWQHYPUEZLT-UHFFFAOYSA-N 0 1 287.794 3.661 20 0 CHADMN CCc1noc([C@@H](C)N2CCC[C@@H](Cc3ccccc3)C2)n1 ZINC000592323130 1127341690 /nfs/dbraw/zinc/34/16/90/1127341690.db2.gz JTOAERKROGFSFP-ZBFHGGJFSA-N 0 1 299.418 3.648 20 0 CHADMN C[C@H](c1ccccc1F)N(C)C[C@@H](O)c1ccccc1F ZINC000225690109 1127341842 /nfs/dbraw/zinc/34/18/42/1127341842.db2.gz JRSDNMNOUXSYGC-SJKOYZFVSA-N 0 1 291.341 3.691 20 0 CHADMN CCC=C(C)C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000058427839 1127342017 /nfs/dbraw/zinc/34/20/17/1127342017.db2.gz CLGMOPCYQWEIGZ-PINLSGDHSA-N 0 1 285.391 3.733 20 0 CHADMN Cc1cc(C)cc(OCCN2Cc3ccccc3C2)c1 ZINC000592318040 1127342461 /nfs/dbraw/zinc/34/24/61/1127342461.db2.gz RRCADJJOCYBFQA-UHFFFAOYSA-N 0 1 267.372 3.698 20 0 CHADMN C[N@@H+](CCC1=CCCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000573974970 1127347163 /nfs/dbraw/zinc/34/71/63/1127347163.db2.gz HGNWPVVEJQUCSU-QGZVFWFLSA-N 0 1 287.403 3.505 20 0 CHADMN CCCOc1c(Cl)cc(CN[C@H](C)CF)cc1OC ZINC000288499069 1127343413 /nfs/dbraw/zinc/34/34/13/1127343413.db2.gz RPGDLYZPWNXZHH-SNVBAGLBSA-N 0 1 289.778 3.585 20 0 CHADMN Cc1ccncc1CN(C)Cc1ccc(C(F)F)cc1 ZINC000355579446 1127350073 /nfs/dbraw/zinc/35/00/73/1127350073.db2.gz GWHPSDBOPPOVJP-UHFFFAOYSA-N 0 1 276.330 3.960 20 0 CHADMN CN(C)Cc1ccc(NCc2cncc(F)c2)cc1Cl ZINC000355581893 1127350512 /nfs/dbraw/zinc/35/05/12/1127350512.db2.gz JBLSFWYWVFNJSD-UHFFFAOYSA-N 0 1 293.773 3.548 20 0 CHADMN CC[N@@H+](CCSC)Cc1cnc(C2CCCC2)s1 ZINC000592529390 1127353040 /nfs/dbraw/zinc/35/30/40/1127353040.db2.gz NLMBPYRRJGPSFK-UHFFFAOYSA-N 0 1 284.494 3.986 20 0 CHADMN CCN(CCSC)Cc1cnc(C2CCCC2)s1 ZINC000592529390 1127353044 /nfs/dbraw/zinc/35/30/44/1127353044.db2.gz NLMBPYRRJGPSFK-UHFFFAOYSA-N 0 1 284.494 3.986 20 0 CHADMN COc1ccc(CN(C)Cc2cnccc2C)cc1Cl ZINC000355614879 1127354571 /nfs/dbraw/zinc/35/45/71/1127354571.db2.gz XHPIWLYGBZEUAI-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN COCc1nc(CN2CCC[C@@H](C(C)(C)C)C2)cs1 ZINC000355656677 1127356374 /nfs/dbraw/zinc/35/63/74/1127356374.db2.gz KJSVUTXHNMDLIP-GFCCVEGCSA-N 0 1 282.453 3.548 20 0 CHADMN Cc1ccc(CN(CCO)Cc2ccc(Cl)cc2C)o1 ZINC000355659391 1127357286 /nfs/dbraw/zinc/35/72/86/1127357286.db2.gz YTOUOXBHIMOYRF-UHFFFAOYSA-N 0 1 293.794 3.544 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2csc(N(C)C3CC3)n2)C1 ZINC000355733453 1127361138 /nfs/dbraw/zinc/36/11/38/1127361138.db2.gz LDEWFBNVANIUJH-UPJWGTAASA-N 0 1 293.480 3.608 20 0 CHADMN Clc1cccc(-c2nnc(CN3C4CCC3CC4)o2)c1 ZINC000592805417 1127361252 /nfs/dbraw/zinc/36/12/52/1127361252.db2.gz YPOJUPXMHNIYCI-UHFFFAOYSA-N 0 1 289.766 3.517 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2csc(N(C)C3CC3)n2)C1 ZINC000355733451 1127361371 /nfs/dbraw/zinc/36/13/71/1127361371.db2.gz LDEWFBNVANIUJH-JHJVBQTASA-N 0 1 293.480 3.608 20 0 CHADMN COCC[C@@H](NCc1coc2ccccc12)c1ccco1 ZINC000355743875 1127362492 /nfs/dbraw/zinc/36/24/92/1127362492.db2.gz UFZFDUYOFRDLBK-OAHLLOKOSA-N 0 1 285.343 3.893 20 0 CHADMN CCN(CC)[C@H](c1nc(-c2ccoc2)no1)c1ccccc1 ZINC000288938426 1127367880 /nfs/dbraw/zinc/36/78/80/1127367880.db2.gz AUDYHCINDMHRDV-HNNXBMFYSA-N 0 1 297.358 3.761 20 0 CHADMN C[C@@H](O)c1ncc(CN2CCC[C@@H]2c2ccccc2)s1 ZINC000289017445 1127370022 /nfs/dbraw/zinc/37/00/22/1127370022.db2.gz FZECTDBIUVKDLE-IUODEOHRSA-N 0 1 288.416 3.534 20 0 CHADMN Cc1ccc(OC(F)F)c(CN2CCCSCC2)c1 ZINC000357230389 1127388017 /nfs/dbraw/zinc/38/80/17/1127388017.db2.gz JDHSJGBLVPOTBH-UHFFFAOYSA-N 0 1 287.375 3.535 20 0 CHADMN CCn1cc(CN2CCC[C@@H]2/C=C/c2ccccc2)cn1 ZINC000357016171 1127385421 /nfs/dbraw/zinc/38/54/21/1127385421.db2.gz ZCXGLMYAEVILPH-DOJUMQAQSA-N 0 1 281.403 3.581 20 0 CHADMN C[C@H](NC/C=C\c1ccc(F)cc1F)c1ccns1 ZINC001308483233 1127385483 /nfs/dbraw/zinc/38/54/83/1127385483.db2.gz LKZCODSTAOFJRO-ZMWSMAPVSA-N 0 1 280.343 3.785 20 0 CHADMN CCOC(=O)C(C)(C)CCC[C@@H](C)NC(C)(C)C(F)F ZINC000593623063 1127391211 /nfs/dbraw/zinc/39/12/11/1127391211.db2.gz HWFYURNANGDZOT-LLVKDONJSA-N 0 1 293.398 3.768 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1ccn(C2CCCC2)n1 ZINC000357713548 1127393355 /nfs/dbraw/zinc/39/33/55/1127393355.db2.gz ZEFALKAINUBXLT-AWEZNQCLSA-N 0 1 295.496 3.962 20 0 CHADMN CSc1ccccc1CN1CCOC2(CCCC2)C1 ZINC000358030249 1127397496 /nfs/dbraw/zinc/39/74/96/1127397496.db2.gz GKSYDLNYCMRULG-UHFFFAOYSA-N 0 1 277.433 3.554 20 0 CHADMN C[C@H](NCc1cnc2ccccc2c1)c1cncs1 ZINC000358045864 1127398599 /nfs/dbraw/zinc/39/85/99/1127398599.db2.gz KFYWWILQDFBDKH-NSHDSACASA-N 0 1 269.373 3.542 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1cccc2c1OCCO2 ZINC000058933934 1127400740 /nfs/dbraw/zinc/40/07/40/1127400740.db2.gz CREAPNOBBGIZBM-UHFFFAOYSA-N 0 1 297.398 3.788 20 0 CHADMN C[C@@H](NCc1cn2ccsc2n1)c1ccc2c(c1)CCC2 ZINC000358082963 1127401078 /nfs/dbraw/zinc/40/10/78/1127401078.db2.gz OOJZGEMCSDPXPD-GFCCVEGCSA-N 0 1 297.427 3.735 20 0 CHADMN C[C@H](NCc1cn2ccsc2n1)c1ccc2c(c1)CCC2 ZINC000358082965 1127401093 /nfs/dbraw/zinc/40/10/93/1127401093.db2.gz OOJZGEMCSDPXPD-LBPRGKRZSA-N 0 1 297.427 3.735 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](NCc1ccn(C)n1)CCC2 ZINC000358234506 1127409603 /nfs/dbraw/zinc/40/96/03/1127409603.db2.gz GKRLSZRWWSLQOZ-GOSISDBHSA-N 0 1 283.419 3.711 20 0 CHADMN Cc1cccc2c1CC[C@@H]2N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000358246114 1127410482 /nfs/dbraw/zinc/41/04/82/1127410482.db2.gz JKKSKOOIDZIPGS-WFASDCNBSA-N 0 1 284.407 3.575 20 0 CHADMN CCn1cc([C@H](C)N[C@H](C)c2ccc(F)c(C)c2)cn1 ZINC000358389108 1127419120 /nfs/dbraw/zinc/41/91/20/1127419120.db2.gz CQYUKQRQLZDBIC-OLZOCXBDSA-N 0 1 275.371 3.762 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1ccc(F)c(F)c1 ZINC000358505560 1127424675 /nfs/dbraw/zinc/42/46/75/1127424675.db2.gz KBYUFOFWZZOSJK-LLVKDONJSA-N 0 1 276.330 3.773 20 0 CHADMN CN(Cc1ccn(-c2ccc(Cl)cc2)n1)C1CCCC1 ZINC000466832495 1127424679 /nfs/dbraw/zinc/42/46/79/1127424679.db2.gz RQXMNSGCIGMKJM-UHFFFAOYSA-N 0 1 289.810 3.900 20 0 CHADMN Cc1nnc(C[N@@H+]2CCCC[C@@H]2CCC(C)C)s1 ZINC000358614827 1127428994 /nfs/dbraw/zinc/42/89/94/1127428994.db2.gz MHMOFJKFTAPFPB-CYBMUJFWSA-N 0 1 267.442 3.637 20 0 CHADMN Cc1nnc(CN2CCCC[C@@H]2CCC(C)C)s1 ZINC000358614827 1127428998 /nfs/dbraw/zinc/42/89/98/1127428998.db2.gz MHMOFJKFTAPFPB-CYBMUJFWSA-N 0 1 267.442 3.637 20 0 CHADMN c1cc2c(s1)CCC[C@H]2N[C@H]1CCc2cccnc21 ZINC000226819410 1127427286 /nfs/dbraw/zinc/42/72/86/1127427286.db2.gz ADZCWSKEMOLCHH-KGLIPLIRSA-N 0 1 270.401 3.798 20 0 CHADMN Cc1noc(C)c1CNCc1cccc(C(C)C)c1 ZINC000358984256 1127442336 /nfs/dbraw/zinc/44/23/36/1127442336.db2.gz ISXRDYORWZKHFV-UHFFFAOYSA-N 0 1 258.365 3.705 20 0 CHADMN C[C@H](NCc1ccc2ncccc2c1)c1ccc(F)cn1 ZINC000359038197 1127446426 /nfs/dbraw/zinc/44/64/26/1127446426.db2.gz QQMRALPNDBHZNE-LBPRGKRZSA-N 0 1 281.334 3.620 20 0 CHADMN COc1cccc(CN2CCC[C@@H]2c2ccc(C)s2)n1 ZINC000359062116 1127447255 /nfs/dbraw/zinc/44/72/55/1127447255.db2.gz CHAIKDXNFDSCJY-CQSZACIVSA-N 0 1 288.416 3.797 20 0 CHADMN C[C@@H]1CC[C@H](CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000359068721 1127447522 /nfs/dbraw/zinc/44/75/22/1127447522.db2.gz MJUBCAKMJZLOCB-DVOMOZLQSA-N 0 1 287.382 3.664 20 0 CHADMN Cc1nc2ccc(NC(=O)CC3=CCCCC3)cc2[nH]1 ZINC000359138437 1127451060 /nfs/dbraw/zinc/45/10/60/1127451060.db2.gz OUFQEZLKLRKEIF-UHFFFAOYSA-N 0 1 269.348 3.700 20 0 CHADMN CCc1nc(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)cs1 ZINC000359299398 1127457445 /nfs/dbraw/zinc/45/74/45/1127457445.db2.gz LOIMHZOSFHIAQO-WFASDCNBSA-N 0 1 264.438 3.718 20 0 CHADMN CCc1nc(CN2CC[C@]3(CC[C@H](C)C3)C2)cs1 ZINC000359299398 1127457446 /nfs/dbraw/zinc/45/74/46/1127457446.db2.gz LOIMHZOSFHIAQO-WFASDCNBSA-N 0 1 264.438 3.718 20 0 CHADMN CCc1nc(C)c([C@@H](C)N[C@H](C)c2cncc(F)c2)s1 ZINC000359251356 1127455177 /nfs/dbraw/zinc/45/51/77/1127455177.db2.gz XEIKYGOILVWIFY-NXEZZACHSA-N 0 1 293.411 3.960 20 0 CHADMN C[C@H](c1cccc(Br)c1)N1CC[C@H]2C[C@H]21 ZINC000761096376 1127456047 /nfs/dbraw/zinc/45/60/47/1127456047.db2.gz RKSJMFSQWXAEIY-SUZMYJTESA-N 0 1 266.182 3.604 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cnccn1)C(C)(C)C ZINC000575014734 1127461150 /nfs/dbraw/zinc/46/11/50/1127461150.db2.gz NXJHQDMRONCQOD-MRXNPFEDSA-N 0 1 269.392 3.662 20 0 CHADMN CC[C@H](CSC)N(C)Cc1nsc2ccccc12 ZINC000595422673 1127462486 /nfs/dbraw/zinc/46/24/86/1127462486.db2.gz PBUQMKNFGVMELW-LLVKDONJSA-N 0 1 280.462 3.870 20 0 CHADMN CCCCCC[C@H](C)NCc1csc(COC)n1 ZINC000696170243 1127463075 /nfs/dbraw/zinc/46/30/75/1127463075.db2.gz IVCAHNGBXZZTPH-LBPRGKRZSA-N 0 1 270.442 3.738 20 0 CHADMN CSC[C@H]1CCCN(Cc2nsc3ccccc32)C1 ZINC000595512902 1127464840 /nfs/dbraw/zinc/46/48/40/1127464840.db2.gz XVFPVBRMJJFTTR-LBPRGKRZSA-N 0 1 292.473 3.871 20 0 CHADMN c1ccc([C@@H]2C[C@H]2CSCc2n[nH]c(C3CC3)n2)cc1 ZINC000359503270 1127465148 /nfs/dbraw/zinc/46/51/48/1127465148.db2.gz HDWHREKGGYCPAE-KBPBESRZSA-N 0 1 285.416 3.719 20 0 CHADMN CCN(CCSC)Cc1cccc(F)c1OC(F)F ZINC000595570665 1127466446 /nfs/dbraw/zinc/46/64/46/1127466446.db2.gz XETWPCZNOUJTDS-UHFFFAOYSA-N 0 1 293.354 3.612 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1cnccc1C)[C@H]2C ZINC000359544785 1127467143 /nfs/dbraw/zinc/46/71/43/1127467143.db2.gz XANVIJXTPYTBMM-CABCVRRESA-N 0 1 296.414 3.906 20 0 CHADMN CCC[C@H](OC)c1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3N2)n1 ZINC000227311478 1127469222 /nfs/dbraw/zinc/46/92/22/1127469222.db2.gz GUWMDGVKVAZJMT-XUXIUFHCSA-N 0 1 293.411 3.541 20 0 CHADMN C[C@@H](NCc1ccc(F)cc1)c1ccc(Cl)cn1 ZINC000359724214 1127474998 /nfs/dbraw/zinc/47/49/98/1127474998.db2.gz XIEYNRVWNGCJAI-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN CCc1cnc(CNC[C@@H]2CCC3(CCCCC3)O2)s1 ZINC000359821408 1127478658 /nfs/dbraw/zinc/47/86/58/1127478658.db2.gz WJVDJVAFJQKEMV-ZDUSSCGKSA-N 0 1 294.464 3.677 20 0 CHADMN COCc1cccc(CN2Cc3ccccc3OC[C@@H]2C)c1 ZINC000359863935 1127481013 /nfs/dbraw/zinc/48/10/13/1127481013.db2.gz YOOIZBIMAHUOAD-HNNXBMFYSA-N 0 1 297.398 3.616 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc(C)nc2C)cc1 ZINC000359858330 1127481150 /nfs/dbraw/zinc/48/11/50/1127481150.db2.gz ZXDZLUVFEADOIZ-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN Cc1ccsc1CN(C)Cc1ccc(C)nc1C ZINC000359857044 1127481165 /nfs/dbraw/zinc/48/11/65/1127481165.db2.gz WRVXHHXWUSQJTK-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN COc1cc2c(cc1F)nccc2NCCCCF ZINC000359951612 1127484112 /nfs/dbraw/zinc/48/41/12/1127484112.db2.gz BKARBZXVCKKXLU-UHFFFAOYSA-N 0 1 266.291 3.544 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@H+]1CCOCC2(CC2)C1 ZINC000360100590 1127489724 /nfs/dbraw/zinc/48/97/24/1127489724.db2.gz YSGIFJZSLALRQW-GFCCVEGCSA-N 0 1 265.784 3.513 20 0 CHADMN C[C@H](c1ccccc1Cl)N1CCOCC2(CC2)C1 ZINC000360100590 1127489725 /nfs/dbraw/zinc/48/97/25/1127489725.db2.gz YSGIFJZSLALRQW-GFCCVEGCSA-N 0 1 265.784 3.513 20 0 CHADMN C/C=C\c1ccc(NC(=O)c2cccc3nc[nH]c32)cc1 ZINC000360316203 1127495615 /nfs/dbraw/zinc/49/56/15/1127495615.db2.gz GBFGMAYCFGPSHC-RQOWECAXSA-N 0 1 277.327 3.848 20 0 CHADMN C[C@@H]1CC[C@H](NCc2noc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000360336658 1127496583 /nfs/dbraw/zinc/49/65/83/1127496583.db2.gz KPYISWFRDVBZHY-IPYPFGDCSA-N 0 1 285.391 3.651 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C[C@H]1CCC[C@H]1C ZINC000360433170 1127498838 /nfs/dbraw/zinc/49/88/38/1127498838.db2.gz GTFYKPBUJWPRFA-ZYHUDNBSSA-N 0 1 271.364 3.636 20 0 CHADMN CCn1ccnc1C[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000360609526 1127502953 /nfs/dbraw/zinc/50/29/53/1127502953.db2.gz DIJLQNKVSHNNLJ-HNNXBMFYSA-N 0 1 275.440 3.695 20 0 CHADMN CCn1ccnc1CN1CC[C@H](C)C2(CCCCC2)C1 ZINC000360609526 1127502956 /nfs/dbraw/zinc/50/29/56/1127502956.db2.gz DIJLQNKVSHNNLJ-HNNXBMFYSA-N 0 1 275.440 3.695 20 0 CHADMN CCc1noc(C)c1CN[C@H](C)c1ccc(OC)c(C)c1 ZINC000293602225 1127508675 /nfs/dbraw/zinc/50/86/75/1127508675.db2.gz DMYUBFUVDYPXHL-GFCCVEGCSA-N 0 1 288.391 3.713 20 0 CHADMN Fc1ccc([C@H](C[C@@H]2CCOC2)NCc2ccco2)cc1 ZINC000293579485 1127506986 /nfs/dbraw/zinc/50/69/86/1127506986.db2.gz YKLALMSQGPVOMY-GUYCJALGSA-N 0 1 289.350 3.676 20 0 CHADMN Cc1cnc(CN[C@@H](C)C2(c3ccccc3)CCCC2)nc1 ZINC000360787878 1127511274 /nfs/dbraw/zinc/51/12/74/1127511274.db2.gz ROCBZDBBIKJDBK-INIZCTEOSA-N 0 1 295.430 3.775 20 0 CHADMN CCc1noc(C)c1CN[C@H](C)c1sccc1C ZINC000293659669 1127511494 /nfs/dbraw/zinc/51/14/94/1127511494.db2.gz ILQIAHKJWYGOQD-SNVBAGLBSA-N 0 1 264.394 3.766 20 0 CHADMN CC(C)[C@H]1N(C(=O)c2ccc(O)c(Cl)c2)CC12CCC2 ZINC000293659735 1127511550 /nfs/dbraw/zinc/51/15/50/1127511550.db2.gz MOWZGXLOFIFNAQ-CQSZACIVSA-N 0 1 293.794 3.696 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cccc(C3CC3)c2)n1 ZINC000293692337 1127512828 /nfs/dbraw/zinc/51/28/28/1127512828.db2.gz KYKBCSNQYWJVND-ZDUSSCGKSA-N 0 1 282.387 3.818 20 0 CHADMN COc1cc(C)c([C@H](C)N(C)Cc2ccccn2)cc1C ZINC000682077910 1127515227 /nfs/dbraw/zinc/51/52/27/1127515227.db2.gz SELYBPLYDWMTJK-HNNXBMFYSA-N 0 1 284.403 3.900 20 0 CHADMN COc1ccc(F)c(CN[C@@H](C)c2ccccc2)c1 ZINC000293728323 1127515660 /nfs/dbraw/zinc/51/56/60/1127515660.db2.gz ZBYCMOPDLQMYAS-LBPRGKRZSA-N 0 1 259.324 3.685 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1ccc(F)c(F)c1F ZINC000597013322 1127524613 /nfs/dbraw/zinc/52/46/13/1127524613.db2.gz INMLMQUUCSIYCP-SECBINFHSA-N 0 1 277.355 3.677 20 0 CHADMN CSCC[C@H](C)N(C)Cc1ccc(F)c(F)c1F ZINC000597013323 1127524101 /nfs/dbraw/zinc/52/41/01/1127524101.db2.gz INMLMQUUCSIYCP-VIFPVBQESA-N 0 1 277.355 3.677 20 0 CHADMN Cc1ccc(CN2C[C@@H](C)[C@H]2c2ccccc2)cn1 ZINC000360983982 1127525895 /nfs/dbraw/zinc/52/58/95/1127525895.db2.gz PGNFUMMPQFYVKN-DYVFJYSZSA-N 0 1 252.361 3.583 20 0 CHADMN Cc1nc([C@H](C)NC[C@H]2CCC3(CCCCC3)O2)cs1 ZINC000360994592 1127527637 /nfs/dbraw/zinc/52/76/37/1127527637.db2.gz FVFZXFLQFGFADE-GXTWGEPZSA-N 0 1 294.464 3.984 20 0 CHADMN Cc1cc(N(C)CC(C)C)nc([C@@H](C)N(C)CC(C)C)n1 ZINC000361029147 1127531295 /nfs/dbraw/zinc/53/12/95/1127531295.db2.gz HWAXHUYQBVWRRQ-OAHLLOKOSA-N 0 1 292.471 3.526 20 0 CHADMN Cc1nc([C@@H](C)NCCCOc2ccc(C)cc2)cs1 ZINC000361109370 1127538993 /nfs/dbraw/zinc/53/89/93/1127538993.db2.gz NDIUSILXXXSXEA-CYBMUJFWSA-N 0 1 290.432 3.880 20 0 CHADMN c1cc2c(s1)CCCN(Cc1cnc3ccccc3n1)C2 ZINC000659911268 1127539167 /nfs/dbraw/zinc/53/91/67/1127539167.db2.gz WOMJHDPFSKHHNX-UHFFFAOYSA-N 0 1 295.411 3.640 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1ncc(C)c(OC)c1C ZINC000361118254 1127539348 /nfs/dbraw/zinc/53/93/48/1127539348.db2.gz AOZSVHXQQSPUOP-AWEZNQCLSA-N 0 1 299.418 3.515 20 0 CHADMN CC[C@H](NCc1cn2ccc(C)cc2n1)c1ccccc1 ZINC000361143910 1127542003 /nfs/dbraw/zinc/54/20/03/1127542003.db2.gz YBYHCQONQWZNGX-KRWDZBQOSA-N 0 1 279.387 3.884 20 0 CHADMN COCC[C@@H](N[C@@H](C)c1ccccn1)c1ccccc1 ZINC000361147082 1127542413 /nfs/dbraw/zinc/54/24/13/1127542413.db2.gz RBXWPIKMVRRDCE-WMLDXEAASA-N 0 1 270.376 3.510 20 0 CHADMN Cc1cnc(CSc2nc3ccc(Cl)cc3[nH]2)nc1 ZINC000361086928 1127537084 /nfs/dbraw/zinc/53/70/84/1127537084.db2.gz PYTGYAFZBRWBNS-UHFFFAOYSA-N 0 1 290.779 3.607 20 0 CHADMN Oc1ccc2c(c1)[C@H](NCc1cc(F)cc(F)c1)CCC2 ZINC000361110403 1127538209 /nfs/dbraw/zinc/53/82/09/1127538209.db2.gz PHSOWUMYUUACSS-QGZVFWFLSA-N 0 1 289.325 3.838 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2cn(C)nc2C(F)F)C1 ZINC000361176098 1127544155 /nfs/dbraw/zinc/54/41/55/1127544155.db2.gz CDBIYBYPOWRZSM-HNNXBMFYSA-N 0 1 285.382 3.760 20 0 CHADMN O=C(N[C@@H]1CCCCC12CCCC2)c1cccc2nc[nH]c21 ZINC000361202222 1127546707 /nfs/dbraw/zinc/54/67/07/1127546707.db2.gz USUDWWPCPHTLAU-OAHLLOKOSA-N 0 1 297.402 3.796 20 0 CHADMN CCCCN(C(=O)c1cnc(C)[nH]1)[C@H]1CCC[C@H](C)C1 ZINC000294130346 1127551455 /nfs/dbraw/zinc/55/14/55/1127551455.db2.gz KWILVYMWKZHMIC-JSGCOSHPSA-N 0 1 277.412 3.539 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1ccc(C)nc1)[C@H]2C ZINC000361274814 1127552009 /nfs/dbraw/zinc/55/20/09/1127552009.db2.gz BFKIHESEJWCWOA-CABCVRRESA-N 0 1 296.414 3.906 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@@H](C)c1c[nH]nc1C ZINC000669618596 1127552786 /nfs/dbraw/zinc/55/27/86/1127552786.db2.gz JTCKLEHSIBMAOY-QWRGUYRKSA-N 0 1 275.421 3.852 20 0 CHADMN C[C@H]1CCCN1Cc1nc2ccc(Br)cc2o1 ZINC000361316899 1127555866 /nfs/dbraw/zinc/55/58/66/1127555866.db2.gz WUQRBEPSWQTTRQ-VIFPVBQESA-N 0 1 295.180 3.575 20 0 CHADMN CN(Cc1nc2ccccc2o1)[C@@H]1C[C@H]1c1ccccc1 ZINC000361325302 1127557010 /nfs/dbraw/zinc/55/70/10/1127557010.db2.gz RQLFCOUTCMXSIL-GOEBONIOSA-N 0 1 278.355 3.816 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1cncc(C(F)(F)F)c1 ZINC000361301185 1127554507 /nfs/dbraw/zinc/55/45/07/1127554507.db2.gz VFBHGYWZINKBAH-QWRGUYRKSA-N 0 1 272.314 3.863 20 0 CHADMN CC(C)O[C@H](CN(C)Cc1ccccn1)c1ccccc1 ZINC000294265569 1127561512 /nfs/dbraw/zinc/56/15/12/1127561512.db2.gz RIPUSCCIBJCESC-GOSISDBHSA-N 0 1 284.403 3.680 20 0 CHADMN CCC[C@@H](NCc1cnccc1OC)c1ccsc1 ZINC000294279605 1127562219 /nfs/dbraw/zinc/56/22/19/1127562219.db2.gz MHVKGOVQQLDIEI-CQSZACIVSA-N 0 1 276.405 3.783 20 0 CHADMN CN(CCc1ccccc1)Cc1nccn1-c1ccccc1 ZINC000361493137 1127567214 /nfs/dbraw/zinc/56/72/14/1127567214.db2.gz PZXWTKALGGPIIW-UHFFFAOYSA-N 0 1 291.398 3.547 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CCC[C@@H](C(C)(C)C)C1 ZINC000361549335 1127570866 /nfs/dbraw/zinc/57/08/66/1127570866.db2.gz NPCJZDPFAXPQAU-WCQYABFASA-N 0 1 277.412 3.766 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cnn(C(C)C)c2)cc1F ZINC000602285536 1127568222 /nfs/dbraw/zinc/56/82/22/1127568222.db2.gz DAHANNYLOCEVMH-CYBMUJFWSA-N 0 1 275.371 3.762 20 0 CHADMN CC(C)C[C@@H](N)c1noc(/C=C\c2ccc(Cl)cc2)n1 ZINC000361600596 1127575271 /nfs/dbraw/zinc/57/52/71/1127575271.db2.gz JWNWJUFKAZPSEL-DMTLFAOVSA-N 0 1 291.782 3.939 20 0 CHADMN CCN(C)c1ccc(CN2CCc3ccccc3[C@@H]2C)cn1 ZINC000361557338 1127571576 /nfs/dbraw/zinc/57/15/76/1127571576.db2.gz PYZZKINCJVQWCN-HNNXBMFYSA-N 0 1 295.430 3.657 20 0 CHADMN C[C@H]1CCN(Cc2ccsc2Cl)C[C@H]1n1ccnc1 ZINC000361557727 1127571948 /nfs/dbraw/zinc/57/19/48/1127571948.db2.gz SCKKDSFWTZEQLI-WCQYABFASA-N 0 1 295.839 3.681 20 0 CHADMN Clc1sccc1CN1CCCC2(CCOCC2)C1 ZINC000361555578 1127572176 /nfs/dbraw/zinc/57/21/76/1127572176.db2.gz BFVKFSMHCYKZAW-UHFFFAOYSA-N 0 1 285.840 3.794 20 0 CHADMN CO[C@@H](C)c1nc(C[N@@H+](CC2CC2)CC2CCC2)cs1 ZINC000361564791 1127572951 /nfs/dbraw/zinc/57/29/51/1127572951.db2.gz KMXHAQYNTSIVMY-LBPRGKRZSA-N 0 1 294.464 3.863 20 0 CHADMN CO[C@@H](C)c1nc(CN(CC2CC2)CC2CCC2)cs1 ZINC000361564791 1127572953 /nfs/dbraw/zinc/57/29/53/1127572953.db2.gz KMXHAQYNTSIVMY-LBPRGKRZSA-N 0 1 294.464 3.863 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2ccsc2Cl)C1 ZINC000361561944 1127573018 /nfs/dbraw/zinc/57/30/18/1127573018.db2.gz HHBSUPWBAUIOFZ-LLVKDONJSA-N 0 1 273.829 3.650 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CC[C@H](n2cccn2)C1 ZINC000361577981 1127573772 /nfs/dbraw/zinc/57/37/72/1127573772.db2.gz PAPXENVYLLIUAH-XJKSGUPXSA-N 0 1 291.345 3.559 20 0 CHADMN Cc1oncc1CN(C)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361590327 1127574774 /nfs/dbraw/zinc/57/47/74/1127574774.db2.gz JGRUVHSZYRFUMU-RYUDHWBXSA-N 0 1 276.302 3.536 20 0 CHADMN COc1ccc(CN2CCSCC[C@@H]2C)c(Cl)c1 ZINC000361645267 1127578888 /nfs/dbraw/zinc/57/88/88/1127578888.db2.gz CTUAEQXKTIARRZ-NSHDSACASA-N 0 1 285.840 3.676 20 0 CHADMN Cc1nc(C(C)C)ccc1CN[C@H](C)c1ccccn1 ZINC000294561304 1127582590 /nfs/dbraw/zinc/58/25/90/1127582590.db2.gz LMMQPCARQSJZFO-CQSZACIVSA-N 0 1 269.392 3.759 20 0 CHADMN CN(CCOc1ccc(Cl)c(F)c1)Cc1ccoc1 ZINC000361693148 1127582688 /nfs/dbraw/zinc/58/26/88/1127582688.db2.gz QFMSFYISBOXHEU-UHFFFAOYSA-N 0 1 283.730 3.583 20 0 CHADMN CC1=CC[C@H](N[C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000294566484 1127583108 /nfs/dbraw/zinc/58/31/08/1127583108.db2.gz GDSZBUPMGBKPQV-HOCLYGCPSA-N 0 1 297.402 3.810 20 0 CHADMN COc1ccc(CN2CCc3cc(C)ccc3C2)cc1OC ZINC000361727819 1127584265 /nfs/dbraw/zinc/58/42/65/1127584265.db2.gz NSNUOTKLIYMBKG-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN COc1cccc(CN2CCc3cc(C)ccc3C2)c1OC ZINC000361726339 1127584711 /nfs/dbraw/zinc/58/47/11/1127584711.db2.gz JRWRPUOEHUCRAN-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN Cc1ccoc1CNCc1cccc(-c2cccnc2)c1 ZINC000361758605 1127587036 /nfs/dbraw/zinc/58/70/36/1127587036.db2.gz CNJXZUIZHZNXND-UHFFFAOYSA-N 0 1 278.355 3.940 20 0 CHADMN CC[C@H](N[C@H]1COc2ccc(Cl)cc21)c1ccncc1 ZINC000361762210 1127588036 /nfs/dbraw/zinc/58/80/36/1127588036.db2.gz AAKKQSPOLWPNSA-GJZGRUSLSA-N 0 1 288.778 3.909 20 0 CHADMN Cc1cnccc1CN1CCSC[C@H]1c1ccccc1 ZINC000294624624 1127588099 /nfs/dbraw/zinc/58/80/99/1127588099.db2.gz ZCUGFOYCMDKCFW-KRWDZBQOSA-N 0 1 284.428 3.680 20 0 CHADMN Cc1nnc([C@@H](C)NCC2(c3ccccc3)CCCCC2)o1 ZINC000602563219 1127592862 /nfs/dbraw/zinc/59/28/62/1127592862.db2.gz SPOKNDBRNHWOGH-CQSZACIVSA-N 0 1 299.418 3.931 20 0 CHADMN COCC1(C)CCN(Cc2cc(OC)ccc2Cl)CC1 ZINC000361861132 1127594488 /nfs/dbraw/zinc/59/44/88/1127594488.db2.gz VWRSXPRNXFSZAS-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN Cc1cc([C@H](C)NCc2cn(C(C)C)nc2C)c(C)o1 ZINC000361890015 1127597334 /nfs/dbraw/zinc/59/73/34/1127597334.db2.gz SIYVNXKERPKKHB-ZDUSSCGKSA-N 0 1 275.396 3.833 20 0 CHADMN CC[C@H](N[C@H](C)c1cnn(CC)c1)c1ccccc1F ZINC000294744490 1127595723 /nfs/dbraw/zinc/59/57/23/1127595723.db2.gz CPHARCMLTXWHEO-WBMJQRKESA-N 0 1 275.371 3.844 20 0 CHADMN Cc1nn(C(C)C)cc1CNCc1cnc2ccccc2c1 ZINC000361895106 1127597850 /nfs/dbraw/zinc/59/78/50/1127597850.db2.gz TXIPDKWIODMTKD-UHFFFAOYSA-N 0 1 294.402 3.610 20 0 CHADMN c1nnsc1CN[C@H](CC1CCCC1)c1ccccc1 ZINC000294886949 1127605982 /nfs/dbraw/zinc/60/59/82/1127605982.db2.gz COMGLTQOVKWLKS-MRXNPFEDSA-N 0 1 287.432 3.949 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)[nH]1 ZINC000294861406 1127604622 /nfs/dbraw/zinc/60/46/22/1127604622.db2.gz SQAYQYYKJDKQKV-HIFRSBDPSA-N 0 1 297.402 3.522 20 0 CHADMN c1cc(-c2nc(CN3CC4CCC3CC4)cs2)co1 ZINC000361994441 1127605221 /nfs/dbraw/zinc/60/52/21/1127605221.db2.gz APAJGMWIZUFNLS-UHFFFAOYSA-N 0 1 274.389 3.778 20 0 CHADMN c1nc(CN2CC3CCC2CC3)oc1-c1ccccc1 ZINC000361998468 1127605426 /nfs/dbraw/zinc/60/54/26/1127605426.db2.gz SIFPWDMWHYOUTD-UHFFFAOYSA-N 0 1 268.360 3.716 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cc(F)ncc2F)cc1 ZINC000294912807 1127607418 /nfs/dbraw/zinc/60/74/18/1127607418.db2.gz AHLHAIBKNXKLRB-UHFFFAOYSA-N 0 1 290.357 3.947 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1cnns1 ZINC000295032201 1127615818 /nfs/dbraw/zinc/61/58/18/1127615818.db2.gz NDUKGAUUFGFCQB-MNOVXSKESA-N 0 1 295.839 3.816 20 0 CHADMN CCS[C@H]1CCCC[C@H]1NCC(=O)c1ccccc1F ZINC000602818238 1127616934 /nfs/dbraw/zinc/61/69/34/1127616934.db2.gz MGMJAUAIBMWUNP-ZBFHGGJFSA-N 0 1 295.423 3.662 20 0 CHADMN CCSc1cccc(F)c1NC(=O)c1cscn1 ZINC000362178429 1127617165 /nfs/dbraw/zinc/61/71/65/1127617165.db2.gz CWAAKRIQTVRJLQ-UHFFFAOYSA-N 0 1 282.365 3.647 20 0 CHADMN COCc1ccc(CN2CC[C@H](C(F)(F)F)C[C@H]2C)o1 ZINC000295002091 1127613363 /nfs/dbraw/zinc/61/33/63/1127613363.db2.gz LMPIBNPVYJVXCD-MNOVXSKESA-N 0 1 291.313 3.589 20 0 CHADMN Cc1oc(C(C)(C)C)cc1CN[C@H]1c2ccccc2C[C@H]1O ZINC001649010564 1127613660 /nfs/dbraw/zinc/61/36/60/1127613660.db2.gz ZRYAHPOEXHWNLW-AEFFLSMTSA-N 0 1 299.414 3.633 20 0 CHADMN c1nnsc1CN[C@H](c1ccccc1)C1CCCC1 ZINC000295031409 1127615338 /nfs/dbraw/zinc/61/53/38/1127615338.db2.gz WBLROKORNJTDSO-OAHLLOKOSA-N 0 1 273.405 3.559 20 0 CHADMN C[C@@H](NCc1ncc(C(F)(F)F)cn1)C1CCCCC1 ZINC000295080405 1127618924 /nfs/dbraw/zinc/61/89/24/1127618924.db2.gz RZGZRHYBVPUKML-SNVBAGLBSA-N 0 1 287.329 3.554 20 0 CHADMN CO[C@@H]1CCN(Cc2ccc(Cl)s2)CC1(C)C ZINC000295092565 1127619726 /nfs/dbraw/zinc/61/97/26/1127619726.db2.gz TYCARUAVDKDRCE-LLVKDONJSA-N 0 1 273.829 3.648 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cc(O)cc(F)c2)c2ccccc2O1 ZINC000295097360 1127619876 /nfs/dbraw/zinc/61/98/76/1127619876.db2.gz SEOTVVQHGSXNDO-BDJLRTHQSA-N 0 1 287.334 3.533 20 0 CHADMN CN(Cc1ccsc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000295111530 1127621352 /nfs/dbraw/zinc/62/13/52/1127621352.db2.gz VDYNRNSBPNHZGA-CQSZACIVSA-N 0 1 281.808 3.567 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@@H]2C[C@@H](C)Oc3ccccc32)c1 ZINC000295133793 1127622672 /nfs/dbraw/zinc/62/26/72/1127622672.db2.gz YPBTWXIOALAXBW-CKEIUWERSA-N 0 1 282.387 3.953 20 0 CHADMN COCCN(Cc1nc(C)sc1C)C[C@H]1CC=CCC1 ZINC000362259357 1127623620 /nfs/dbraw/zinc/62/36/20/1127623620.db2.gz DMMFPAVZZMSBQD-HNNXBMFYSA-N 0 1 294.464 3.565 20 0 CHADMN CC[C@@H](C)CC(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000362258931 1127623702 /nfs/dbraw/zinc/62/37/02/1127623702.db2.gz CQHYGBPWRPXAAR-SNVBAGLBSA-N 0 1 298.346 3.593 20 0 CHADMN C[C@H]1C[C@@H](NCc2cc3ccccc3s2)c2nccn21 ZINC000295146460 1127623814 /nfs/dbraw/zinc/62/38/14/1127623814.db2.gz CENFMIGMHOAZBP-SMDDNHRTSA-N 0 1 283.400 3.893 20 0 CHADMN COc1ccnc(Cl)c1CN1CCCCCCC1 ZINC001232153541 1127627387 /nfs/dbraw/zinc/62/73/87/1127627387.db2.gz QLWXVLNWIHSNDD-UHFFFAOYSA-N 0 1 268.788 3.510 20 0 CHADMN CCCN(Cc1conc1C)[C@@H](C)c1ccccc1OC ZINC000295225810 1127628715 /nfs/dbraw/zinc/62/87/15/1127628715.db2.gz CGEPJCSSTXJCCY-AWEZNQCLSA-N 0 1 288.391 3.965 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2cn3c(cccc3C)n2)C1 ZINC000362385035 1127631782 /nfs/dbraw/zinc/63/17/82/1127631782.db2.gz QLDMJICJXIOVMD-KRWDZBQOSA-N 0 1 271.408 3.655 20 0 CHADMN Clc1cccc([C@H]2CCN(Cc3ccns3)C2)c1 ZINC001232192338 1127635163 /nfs/dbraw/zinc/63/51/63/1127635163.db2.gz GFMBYYUGILFTFC-LBPRGKRZSA-N 0 1 278.808 3.786 20 0 CHADMN Cc1cccc(CNCc2ccc(C(C)(C)O)cc2)c1F ZINC000295365983 1127638454 /nfs/dbraw/zinc/63/84/54/1127638454.db2.gz JMTMYFIQHOSQRN-UHFFFAOYSA-N 0 1 287.378 3.651 20 0 CHADMN COc1cccc(CN[C@@H]2CCc3cc(C)ccc32)c1F ZINC000669680862 1127649734 /nfs/dbraw/zinc/64/97/34/1127649734.db2.gz ZIWSEPAKLCABNG-MRXNPFEDSA-N 0 1 285.362 3.920 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2nc(Cl)ccc21)c1cccnc1 ZINC000295797251 1127652746 /nfs/dbraw/zinc/65/27/46/1127652746.db2.gz BWKOOIWFXYLGND-BXUZGUMPSA-N 0 1 287.794 3.858 20 0 CHADMN CCC(F)(F)CNC1CCC(CSC)CC1 ZINC000599068027 1127655141 /nfs/dbraw/zinc/65/51/41/1127655141.db2.gz APFJBCNQKHQFIF-UHFFFAOYSA-N 0 1 251.386 3.543 20 0 CHADMN CC(C)c1ccc(OCCN[C@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000295879801 1127656266 /nfs/dbraw/zinc/65/62/66/1127656266.db2.gz HOBBZNMZSAPOMK-PBHICJAKSA-N 0 1 299.418 3.681 20 0 CHADMN CO[C@H](CNCc1ncc(C)s1)c1cccc(Cl)c1 ZINC000295881263 1127656820 /nfs/dbraw/zinc/65/68/20/1127656820.db2.gz XZRYHXFCWPLRLI-CYBMUJFWSA-N 0 1 296.823 3.582 20 0 CHADMN Cc1nocc1CN[C@H](C)c1cccc(C2CC2)c1 ZINC000295956691 1127658937 /nfs/dbraw/zinc/65/89/37/1127658937.db2.gz HMODCWMLBGZGHU-LLVKDONJSA-N 0 1 256.349 3.711 20 0 CHADMN CO[C@H]1CCN(Cc2nc3ccccc3s2)CC1(C)C ZINC000296148055 1127663351 /nfs/dbraw/zinc/66/33/51/1127663351.db2.gz TVQJYMGEQQRASB-AWEZNQCLSA-N 0 1 290.432 3.543 20 0 CHADMN CS[C@H]1CCN(Cc2nc(-c3cccs3)oc2C)C1 ZINC000296262773 1127667211 /nfs/dbraw/zinc/66/72/11/1127667211.db2.gz LWKBAQOWWYYUFZ-NSHDSACASA-N 0 1 294.445 3.649 20 0 CHADMN COc1nccc(CN[C@H](c2ccccc2)C2CCCC2)n1 ZINC000296298590 1127667936 /nfs/dbraw/zinc/66/79/36/1127667936.db2.gz FYSLRAPVNZQBLS-QGZVFWFLSA-N 0 1 297.402 3.506 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1ncccc1Cl ZINC000599330118 1127668360 /nfs/dbraw/zinc/66/83/60/1127668360.db2.gz HCLNIFVIEVNJMD-NSHDSACASA-N 0 1 272.845 3.699 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1cc(C)ccn1 ZINC000669694368 1127668402 /nfs/dbraw/zinc/66/84/02/1127668402.db2.gz UAAPRBTXNLFHGF-CYBMUJFWSA-N 0 1 272.417 3.963 20 0 CHADMN Fc1ccc([C@H](NCc2cnns2)C2CCCC2)cc1 ZINC000296321259 1127668934 /nfs/dbraw/zinc/66/89/34/1127668934.db2.gz OJIRSXQGNWBZLB-OAHLLOKOSA-N 0 1 291.395 3.698 20 0 CHADMN CC[C@@H](N[C@H](CCO)c1ccco1)c1ccsc1 ZINC000296545465 1127675247 /nfs/dbraw/zinc/67/52/47/1127675247.db2.gz SOFJLHOPOZUQFT-CHWSQXEVSA-N 0 1 265.378 3.506 20 0 CHADMN C[C@H]1CN(Cc2ccsc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599583079 1127681315 /nfs/dbraw/zinc/68/13/15/1127681315.db2.gz QFLOURXKRPQJKD-JSGCOSHPSA-N 0 1 295.448 3.548 20 0 CHADMN Cc1cnccc1CNc1ccc(Cl)c(CN(C)C)c1 ZINC000296696359 1127681651 /nfs/dbraw/zinc/68/16/51/1127681651.db2.gz HXRRSNLUSAIIJY-UHFFFAOYSA-N 0 1 289.810 3.717 20 0 CHADMN Cc1cnc(CNc2ccc(Cl)c(CN(C)C)c2)s1 ZINC000296758541 1127682716 /nfs/dbraw/zinc/68/27/16/1127682716.db2.gz KTKAYZBWUUJLBQ-UHFFFAOYSA-N 0 1 295.839 3.779 20 0 CHADMN CC(C)n1ncnc1CN1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000296634312 1127679279 /nfs/dbraw/zinc/67/92/79/1127679279.db2.gz HXJJXVXIWDIQOR-VYDXJSESSA-N 0 1 298.434 3.626 20 0 CHADMN CCCC[C@@H](COC)N[C@@H](c1ccccc1)c1ccccn1 ZINC000363789545 1127684794 /nfs/dbraw/zinc/68/47/94/1127684794.db2.gz AWCKDOKKDBZMCG-HKUYNNGSSA-N 0 1 298.430 3.966 20 0 CHADMN COC(=O)C1C[C@@H](C)N(Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000599688597 1127687312 /nfs/dbraw/zinc/68/73/12/1127687312.db2.gz FPKHLEURKASFIA-VXGBXAGGSA-N 0 1 295.810 3.502 20 0 CHADMN Cc1ccc(C)c(CNCc2nc3c(s2)CCCC3)c1 ZINC000719526952 1127690751 /nfs/dbraw/zinc/69/07/51/1127690751.db2.gz DSHQLZFPZPUWND-UHFFFAOYSA-N 0 1 286.444 3.929 20 0 CHADMN CCCOc1ccccc1NCc1[nH]nc2ccccc21 ZINC000604068371 1127693227 /nfs/dbraw/zinc/69/32/27/1127693227.db2.gz LOZVOSWEAVGRKU-UHFFFAOYSA-N 0 1 281.359 3.964 20 0 CHADMN CCC(=O)Nc1ccc(NCc2[nH]nc3ccccc32)cc1 ZINC000604070013 1127693268 /nfs/dbraw/zinc/69/32/68/1127693268.db2.gz ZXYNYTJGSVIZHL-UHFFFAOYSA-N 0 1 294.358 3.524 20 0 CHADMN CC[C@@H]1COCCN1CCCOc1ccc2ccccc2c1 ZINC000604396866 1127704949 /nfs/dbraw/zinc/70/49/49/1127704949.db2.gz YICUIJKIQYGNIX-GOSISDBHSA-N 0 1 299.414 3.720 20 0 CHADMN CC[C@@H](C)Oc1cc(C)ccc1CN[C@@H](C)c1cn[nH]c1 ZINC000297826127 1127709562 /nfs/dbraw/zinc/70/95/62/1127709562.db2.gz RONAWIHCDABLJQ-KGLIPLIRSA-N 0 1 287.407 3.746 20 0 CHADMN CCC[C@@H](N)c1cc(-c2ccc(OCC)cc2)no1 ZINC000229873951 1127711904 /nfs/dbraw/zinc/71/19/04/1127711904.db2.gz SIXYHVANCFUBOZ-CYBMUJFWSA-N 0 1 260.337 3.540 20 0 CHADMN CCC[C@@H](O)CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000298225004 1127717149 /nfs/dbraw/zinc/71/71/49/1127717149.db2.gz HTAWLZIEZNZIBF-CQSZACIVSA-N 0 1 290.432 3.562 20 0 CHADMN CCOC1(C)CCN(Cc2ccc(OC)c(Cl)c2)CC1 ZINC000298240751 1127717327 /nfs/dbraw/zinc/71/73/27/1127717327.db2.gz IZNABZPQGOYSAS-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN CC[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N(C)C ZINC000298463898 1127724414 /nfs/dbraw/zinc/72/44/14/1127724414.db2.gz YWQFGQMOWJABTQ-GOSISDBHSA-N 0 1 296.414 3.556 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCCOC(C)(C)C1 ZINC000604999968 1127724993 /nfs/dbraw/zinc/72/49/93/1127724993.db2.gz CBYSTPHELVIZCC-LLVKDONJSA-N 0 1 269.335 3.527 20 0 CHADMN C[C@H]1CCC[C@@H](Sc2nc(C(C)(C)C)n[nH]2)C1 ZINC000605077043 1127728083 /nfs/dbraw/zinc/72/80/83/1127728083.db2.gz WONZBXYHMCSXIR-VHSXEESVSA-N 0 1 253.415 3.773 20 0 CHADMN C[C@H]1CCC[C@@H](Sc2n[nH]c(C(C)(C)C)n2)C1 ZINC000605077043 1127728086 /nfs/dbraw/zinc/72/80/86/1127728086.db2.gz WONZBXYHMCSXIR-VHSXEESVSA-N 0 1 253.415 3.773 20 0 CHADMN C[C@H]1CC2(CCC2)CN1Cc1csc(C2CC2)n1 ZINC000365445407 1127729187 /nfs/dbraw/zinc/72/91/87/1127729187.db2.gz VVDOVHJTBFMACZ-NSHDSACASA-N 0 1 262.422 3.785 20 0 CHADMN Fc1ccccc1-c1cnc(C[N@H+]2CCCC23CCC3)o1 ZINC000365621398 1127735285 /nfs/dbraw/zinc/73/52/85/1127735285.db2.gz DLXGWVPEEKBMMS-UHFFFAOYSA-N 0 1 286.350 3.999 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)NCc2ccoc2)c1 ZINC000062103657 1127733675 /nfs/dbraw/zinc/73/36/75/1127733675.db2.gz GVIGXWXDSPILBF-CYBMUJFWSA-N 0 1 259.349 3.918 20 0 CHADMN CO[C@]1(C)CCC[N@@H+](Cc2nc(C(C)(C)C)cs2)CC1 ZINC000366472927 1127746675 /nfs/dbraw/zinc/74/66/75/1127746675.db2.gz JVCFHFHFLWAROC-MRXNPFEDSA-N 0 1 296.480 3.832 20 0 CHADMN CO[C@]1(C)CCCN(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000366472927 1127746677 /nfs/dbraw/zinc/74/66/77/1127746677.db2.gz JVCFHFHFLWAROC-MRXNPFEDSA-N 0 1 296.480 3.832 20 0 CHADMN Cc1oncc1C[N@@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000366887298 1127748572 /nfs/dbraw/zinc/74/85/72/1127748572.db2.gz SHEWOMLFJQOYNO-CJNGLKHVSA-N 0 1 270.376 3.751 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCS[C@@H]2CCCC[C@H]21 ZINC000366959183 1127749707 /nfs/dbraw/zinc/74/97/07/1127749707.db2.gz MVSLOHMDXDXFPM-HZPDHXFCSA-N 0 1 293.480 3.632 20 0 CHADMN C[C@@H]1CCCN(Cc2c(Cl)ccnc2F)C[C@H]1C ZINC001232614047 1127758516 /nfs/dbraw/zinc/75/85/16/1127758516.db2.gz AVQPOLKRHYBRHF-GHMZBOCLSA-N 0 1 270.779 3.742 20 0 CHADMN CC(C)n1ccnc1CN1CCC(c2ccccc2)CC1 ZINC000368947426 1127758831 /nfs/dbraw/zinc/75/88/31/1127758831.db2.gz UAYIBTTXYUQDEH-UHFFFAOYSA-N 0 1 283.419 3.844 20 0 CHADMN c1coc(CNCc2ccc(-c3cccnc3)cc2)c1 ZINC000369709193 1127760271 /nfs/dbraw/zinc/76/02/71/1127760271.db2.gz BZDZLFYLDULWMZ-UHFFFAOYSA-N 0 1 264.328 3.631 20 0 CHADMN CCN(Cc1ccncc1)Cc1cc(C)c(C)cc1OC ZINC001238757677 1131240984 /nfs/dbraw/zinc/24/09/84/1131240984.db2.gz FGSNHPOMBNUBQP-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000543808427 1127764877 /nfs/dbraw/zinc/76/48/77/1127764877.db2.gz OUASJFYHTMKXBJ-IGCXYCKISA-N 0 1 291.439 3.940 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000543808430 1127765140 /nfs/dbraw/zinc/76/51/40/1127765140.db2.gz OUASJFYHTMKXBJ-XNJGSVPQSA-N 0 1 291.439 3.940 20 0 CHADMN CCN(C)[C@@H](C(=O)NCCCC(C)(C)C)c1ccccc1 ZINC000606873682 1127779508 /nfs/dbraw/zinc/77/95/08/1127779508.db2.gz NKZGVHUYPRRYHB-MRXNPFEDSA-N 0 1 290.451 3.622 20 0 CHADMN c1ccc(-c2nnc(CN3CCC[C@@H]3C3CC3)s2)cc1 ZINC000372063234 1127786938 /nfs/dbraw/zinc/78/69/38/1127786938.db2.gz PAGYTGPNSXWWFW-CQSZACIVSA-N 0 1 285.416 3.580 20 0 CHADMN Cc1cccc([C@@H]2CCCN2CN2CCSC2=O)c1C ZINC000172913168 1127792926 /nfs/dbraw/zinc/79/29/26/1127792926.db2.gz GIKPGMOTKXDLIE-HNNXBMFYSA-N 0 1 290.432 3.567 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1C[C@H](C)C[C@@H]1C ZINC000607155500 1127796658 /nfs/dbraw/zinc/79/66/58/1127796658.db2.gz IBCCKNXGZDMNSP-MNOVXSKESA-N 0 1 276.405 3.942 20 0 CHADMN COc1cccc(CN[C@@H]2COc3c2cccc3Cl)c1 ZINC000372676154 1127808820 /nfs/dbraw/zinc/80/88/20/1127808820.db2.gz SLWGRRDKFGHYTO-OAHLLOKOSA-N 0 1 289.762 3.572 20 0 CHADMN Cc1ccc(CCN2CCO[C@@H](c3ccccc3C)C2)cc1 ZINC000607745714 1127822873 /nfs/dbraw/zinc/82/28/73/1127822873.db2.gz ZZZYFCOVNWUGFS-HXUWFJFHSA-N 0 1 295.426 3.919 20 0 CHADMN Fc1ccc([C@@H]2CN(CCC3CCCC3)CCO2)cc1 ZINC000607726296 1127825165 /nfs/dbraw/zinc/82/51/65/1127825165.db2.gz QVNZKYZITWPMHZ-KRWDZBQOSA-N 0 1 277.383 3.779 20 0 CHADMN O=C(c1cc(-c2ccccc2)[nH]n1)N1C2CCCC1CCC2 ZINC000607933953 1127838733 /nfs/dbraw/zinc/83/87/33/1127838733.db2.gz LJYDTCZNOIULMJ-UHFFFAOYSA-N 0 1 295.386 3.624 20 0 CHADMN CC[C@@H](C)[C@@H](NCc1cc[nH]n1)c1ccc(Cl)cc1 ZINC000608062109 1127841815 /nfs/dbraw/zinc/84/18/15/1127841815.db2.gz QZSFZQZUKRTLKF-IAQYHMDHSA-N 0 1 277.799 3.940 20 0 CHADMN Cc1cnc([C@@H](NCc2ccc3c[nH]nc3c2)C2CC2)s1 ZINC000608062293 1127842220 /nfs/dbraw/zinc/84/22/20/1127842220.db2.gz BOWLORIIYDLESF-HNNXBMFYSA-N 0 1 298.415 3.569 20 0 CHADMN CCc1ccc([C@H](COC)NC/C=C\c2ccccc2)o1 ZINC000608060495 1127842360 /nfs/dbraw/zinc/84/23/60/1127842360.db2.gz FCRHMSRHRQFPCK-JEZWAEDTSA-N 0 1 285.387 3.833 20 0 CHADMN Cc1cnc([C@@H](NCc2[nH]nc3ccccc32)C2CC2)s1 ZINC000608062331 1127843431 /nfs/dbraw/zinc/84/34/31/1127843431.db2.gz DRHCDGFMVYEKCK-HNNXBMFYSA-N 0 1 298.415 3.569 20 0 CHADMN Cc1ncsc1CNC1(c2ccc(F)cc2)CCC1 ZINC000608055304 1127845959 /nfs/dbraw/zinc/84/59/59/1127845959.db2.gz XWNNKKPZRDYJIN-UHFFFAOYSA-N 0 1 276.380 3.760 20 0 CHADMN Cc1nc([C@H](C)N(C)Cc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000411177293 1127846264 /nfs/dbraw/zinc/84/62/64/1127846264.db2.gz YMWRBIXUYHOIDY-QMMMGPOBSA-N 0 1 299.205 3.613 20 0 CHADMN Cc1ncsc1C[N@H+](C)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411272588 1127850219 /nfs/dbraw/zinc/85/02/19/1127850219.db2.gz IAZBGGBIJQDLAG-KBPBESRZSA-N 0 1 276.380 3.579 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CCC(C2CCCC2)CC1 ZINC000608170195 1127852418 /nfs/dbraw/zinc/85/24/18/1127852418.db2.gz LGGXQBMJRNDRBL-UHFFFAOYSA-N 0 1 297.402 3.605 20 0 CHADMN C[C@@H]1c2cc(F)cc(F)c2CCN1CCc1cncs1 ZINC000411314624 1127853641 /nfs/dbraw/zinc/85/36/41/1127853641.db2.gz FEWNLOSEKPRWSS-SNVBAGLBSA-N 0 1 294.370 3.583 20 0 CHADMN CCOc1cccc([C@H](C)NCc2ccc(CC)cn2)c1 ZINC000411460526 1127860197 /nfs/dbraw/zinc/86/01/97/1127860197.db2.gz ROOIVEIUMIORLX-AWEZNQCLSA-N 0 1 284.403 3.894 20 0 CHADMN CCO[C@@H](C)c1nc(CN(C)C[Si](C)(C)C)cs1 ZINC000174012548 1127866169 /nfs/dbraw/zinc/86/61/69/1127866169.db2.gz ZIJXTARLGPXQPI-NSHDSACASA-N 0 1 286.517 3.550 20 0 CHADMN CCc1ccc(CNCc2cc(F)ccc2F)cc1 ZINC000063775850 1127867080 /nfs/dbraw/zinc/86/70/80/1127867080.db2.gz OGPVOBPVRLEZDM-UHFFFAOYSA-N 0 1 261.315 3.817 20 0 CHADMN CN(CCc1cncs1)Cc1cc(Cl)ccc1F ZINC000411632157 1127868112 /nfs/dbraw/zinc/86/81/12/1127868112.db2.gz DRSSVKLZOOZWPI-UHFFFAOYSA-N 0 1 284.787 3.610 20 0 CHADMN c1coc(-c2cc(CN3CC[C@H](c4ccco4)C3)no2)c1 ZINC000374002151 1127869051 /nfs/dbraw/zinc/86/90/51/1127869051.db2.gz KOJMFCROJJKYBQ-LBPRGKRZSA-N 0 1 284.315 3.517 20 0 CHADMN CCc1cnc(C[N@H+]2CCC[C@H]2Cc2ccc(C)cc2)o1 ZINC000608497226 1127869390 /nfs/dbraw/zinc/86/93/90/1127869390.db2.gz HODOTPGHUIGBKX-INIZCTEOSA-N 0 1 284.403 3.753 20 0 CHADMN CSc1ccc(OCC[N@@H+](C)Cc2ccsc2)cc1 ZINC000608491985 1127870773 /nfs/dbraw/zinc/87/07/73/1127870773.db2.gz KJOKZPXGUYRNBF-UHFFFAOYSA-N 0 1 293.457 3.981 20 0 CHADMN Fc1cc(CN2C3CCCC2CCC3)c2c(c1)COCO2 ZINC000608499505 1127871417 /nfs/dbraw/zinc/87/14/17/1127871417.db2.gz MSBWHLUMSXBDEK-UHFFFAOYSA-N 0 1 291.366 3.599 20 0 CHADMN Cc1cccc(NC(=O)CN2C3CCCC2CCC3)c1C ZINC000608499852 1127871890 /nfs/dbraw/zinc/87/18/90/1127871890.db2.gz CEQGOJCFRNFKBI-UHFFFAOYSA-N 0 1 286.419 3.649 20 0 CHADMN C(c1noc2c1CCCC2)N1CCC(C2CCCC2)CC1 ZINC000608502036 1127872676 /nfs/dbraw/zinc/87/26/76/1127872676.db2.gz GFUVFUGRIIEOIJ-UHFFFAOYSA-N 0 1 288.435 3.956 20 0 CHADMN C[C@@H]1CN(CCOc2ccccc2Cl)C[C@@H](C)S1 ZINC000608503146 1127873586 /nfs/dbraw/zinc/87/35/86/1127873586.db2.gz OLSHRDKRTAVJRP-VXGBXAGGSA-N 0 1 285.840 3.545 20 0 CHADMN O[C@@H]1C[C@@H](c2ccccc2)N(Cc2ccccc2Cl)C1 ZINC000411959848 1127883022 /nfs/dbraw/zinc/88/30/22/1127883022.db2.gz YPFAGCDSZPXQOR-WBVHZDCISA-N 0 1 287.790 3.648 20 0 CHADMN CC[C@H](F)CN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412011855 1127887884 /nfs/dbraw/zinc/88/78/84/1127887884.db2.gz LCVXIXVXTRRJAA-JKSUJKDBSA-N 0 1 277.383 3.588 20 0 CHADMN COC1([C@H](C)NCc2csc(C3CCCC3)n2)CCC1 ZINC000412021085 1127890033 /nfs/dbraw/zinc/89/00/33/1127890033.db2.gz LFTPELLWUGNDGZ-LBPRGKRZSA-N 0 1 294.464 3.848 20 0 CHADMN CN(Cc1cnns1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000412017679 1127890301 /nfs/dbraw/zinc/89/03/01/1127890301.db2.gz ZXBIOYHXBRIGBO-HOTGVXAUSA-N 0 1 287.432 3.696 20 0 CHADMN C[C@H]1CC(C)(C)CN1Cc1cc(C(C)(C)C)on1 ZINC000412039470 1127893670 /nfs/dbraw/zinc/89/36/70/1127893670.db2.gz JRASRKJNVKTCEM-NSHDSACASA-N 0 1 250.386 3.593 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H]2CCC[C@H]2CC)n1 ZINC000429792080 1127905159 /nfs/dbraw/zinc/90/51/59/1127905159.db2.gz UBLBOEKHSHVJMV-IJLUTSLNSA-N 0 1 283.441 3.552 20 0 CHADMN Cc1nnc([C@@H](C)N2CCCC3(CCCCC3)C2)s1 ZINC000374796717 1127913788 /nfs/dbraw/zinc/91/37/88/1127913788.db2.gz VRTHLFBCNFXCTA-GFCCVEGCSA-N 0 1 279.453 3.954 20 0 CHADMN CC(C)SCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000535416111 1127914642 /nfs/dbraw/zinc/91/46/42/1127914642.db2.gz AUCGTEMPXZNANP-UHFFFAOYSA-N 0 1 299.346 3.581 20 0 CHADMN CCCC[NH+](CCCC)Cc1cccc([O-])c1F ZINC001233053063 1127915343 /nfs/dbraw/zinc/91/53/43/1127915343.db2.gz IMYYCXWNJDLCPE-UHFFFAOYSA-N 0 1 253.361 3.934 20 0 CHADMN Cc1ccc(CN[C@H]2CCCc3nc(C)sc32)o1 ZINC000374850946 1127917232 /nfs/dbraw/zinc/91/72/32/1127917232.db2.gz CTXOMBJFUDUACA-LBPRGKRZSA-N 0 1 262.378 3.520 20 0 CHADMN Cn1cc(CN2CC[C@@H]2c2ccccc2)c(C(C)(C)C)n1 ZINC000539409319 1127922570 /nfs/dbraw/zinc/92/25/70/1127922570.db2.gz POLFIYYZZWABIC-MRXNPFEDSA-N 0 1 283.419 3.665 20 0 CHADMN CC[C@H](NCc1ccccc1OC)c1ccccc1OC ZINC000035272688 1127925337 /nfs/dbraw/zinc/92/53/37/1127925337.db2.gz YTGBEKKGTROUBH-INIZCTEOSA-N 0 1 285.387 3.945 20 0 CHADMN Cc1cccc(NC(=O)[C@H](C)N[C@H](C)c2ccsc2)c1 ZINC000669828909 1127928008 /nfs/dbraw/zinc/92/80/08/1127928008.db2.gz UOXMYNJDFXDBGH-OLZOCXBDSA-N 0 1 288.416 3.734 20 0 CHADMN C[C@H]1CC/C(=C\C(=O)Nc2cccc3c2CN(C2CC2)C3)C1 ZINC000375239407 1127935998 /nfs/dbraw/zinc/93/59/98/1127935998.db2.gz FWPUGEDALPPLGJ-LFGHMXSPSA-N 0 1 296.414 3.850 20 0 CHADMN Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@H](C3CC3)C2)s1 ZINC000375200749 1127933670 /nfs/dbraw/zinc/93/36/70/1127933670.db2.gz IYLHBZHJLVDJEB-JTQLQIEISA-N 0 1 290.354 3.702 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CC[C@H](C3CC3)C2)s1 ZINC000375200749 1127933674 /nfs/dbraw/zinc/93/36/74/1127933674.db2.gz IYLHBZHJLVDJEB-JTQLQIEISA-N 0 1 290.354 3.702 20 0 CHADMN COCC1(N[C@H](C)c2ccc(-c3ccccc3)o2)CC1 ZINC000539651519 1127933909 /nfs/dbraw/zinc/93/39/09/1127933909.db2.gz OSYLSLCOFGTVBX-CYBMUJFWSA-N 0 1 271.360 3.776 20 0 CHADMN Cc1ccc2nc(S[C@@H]3CCC(C)(C)C3=O)[nH]c2c1 ZINC000412982401 1127934976 /nfs/dbraw/zinc/93/49/76/1127934976.db2.gz YLWFBIAWHMGZTQ-GFCCVEGCSA-N 0 1 274.389 3.721 20 0 CHADMN Cc1cccc2nc(C3CCN(Cc4ccno4)CC3)oc21 ZINC000375246820 1127937391 /nfs/dbraw/zinc/93/73/91/1127937391.db2.gz ZEANPFCPYFAGAL-UHFFFAOYSA-N 0 1 297.358 3.504 20 0 CHADMN COc1ccccc1[C@H](C)S[C@H](C)c1n[nH]c(C)n1 ZINC000413002903 1127937746 /nfs/dbraw/zinc/93/77/46/1127937746.db2.gz VQQWQPQSVFMGDN-VHSXEESVSA-N 0 1 277.393 3.677 20 0 CHADMN CC(C)=CCCN1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000660003983 1127939174 /nfs/dbraw/zinc/93/91/74/1127939174.db2.gz XKHMDWPFVZZGNG-ZFWWWQNUSA-N 0 1 265.422 3.866 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCCN(C)Cc1cc(Cl)cn1C ZINC000466958418 1127951681 /nfs/dbraw/zinc/95/16/81/1127951681.db2.gz VITPXJCPVVCIHM-CZUORRHYSA-N 0 1 298.858 3.706 20 0 CHADMN Fc1cc2c(c(F)c1)[C@@H](N[C@@H]1CC[C@H]1C1CCC1)CO2 ZINC000669849341 1127950882 /nfs/dbraw/zinc/95/08/82/1127950882.db2.gz NBPXWRBALRZLDR-YUTCNCBUSA-N 0 1 279.330 3.567 20 0 CHADMN Cc1ccoc1CN1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000539927160 1127953835 /nfs/dbraw/zinc/95/38/35/1127953835.db2.gz MASABJMLXATLFF-AWEZNQCLSA-N 0 1 293.407 3.532 20 0 CHADMN Fc1c(Cl)cccc1CN1CCC([C@@H]2CCCO2)CC1 ZINC000467203509 1127959206 /nfs/dbraw/zinc/95/92/06/1127959206.db2.gz AMRHJIRWHONEIG-HNNXBMFYSA-N 0 1 297.801 3.870 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1CC(=O)Nc1ccc(C)cc1Cl ZINC000467204989 1127959430 /nfs/dbraw/zinc/95/94/30/1127959430.db2.gz DXPDRXYWWCHMDL-OLZOCXBDSA-N 0 1 294.826 3.707 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1CC(=O)Nc1cc(Cl)ccc1F ZINC000467205997 1127959602 /nfs/dbraw/zinc/95/96/02/1127959602.db2.gz IOGHNBRAOAHZFQ-CMPLNLGQSA-N 0 1 298.789 3.538 20 0 CHADMN Clc1ccc2c(c1)[C@@H](N[C@H]1CCCc3c[nH]nc31)CC2 ZINC000540159839 1127964097 /nfs/dbraw/zinc/96/40/97/1127964097.db2.gz GBEONOVYPXRZQG-GJZGRUSLSA-N 0 1 287.794 3.718 20 0 CHADMN Cc1ccsc1CN(C)Cc1c[nH]nc1C(C)(C)C ZINC000506011962 1127969900 /nfs/dbraw/zinc/96/99/00/1127969900.db2.gz IYXCMTMKLIAOEG-UHFFFAOYSA-N 0 1 277.437 3.709 20 0 CHADMN CCc1oc2ccccc2c1CN1CCO[C@H](CC)C1 ZINC000506326743 1127975933 /nfs/dbraw/zinc/97/59/33/1127975933.db2.gz MQUWGSGDDVPGSY-CYBMUJFWSA-N 0 1 273.376 3.606 20 0 CHADMN C[C@@H](Cc1ccccn1)NCc1c(F)ccc(F)c1Cl ZINC000623561536 1127976811 /nfs/dbraw/zinc/97/68/11/1127976811.db2.gz QJOGQNBEPSIIRD-JTQLQIEISA-N 0 1 296.748 3.734 20 0 CHADMN Cc1nc(CN(C)C[C@H]2CCCOC2)sc1C(C)(C)C ZINC000929608991 1127977905 /nfs/dbraw/zinc/97/79/05/1127977905.db2.gz URMGTXSFWLJJEE-CYBMUJFWSA-N 0 1 296.480 3.607 20 0 CHADMN CCc1cnc(CN[C@H](C)[C@H](C)C2CCCCC2)o1 ZINC000544424805 1127972933 /nfs/dbraw/zinc/97/29/33/1127972933.db2.gz KVTRTTOTOKARMU-QWHCGFSZSA-N 0 1 264.413 3.932 20 0 CHADMN Cn1ccc([C@H](NCCC(C)(C)C)c2ccc(F)cc2)n1 ZINC000540491868 1127981150 /nfs/dbraw/zinc/98/11/50/1127981150.db2.gz DOGSTJUYCHPNML-MRXNPFEDSA-N 0 1 289.398 3.674 20 0 CHADMN C[C@H]1CCN(Cc2nc3cc(F)ccc3o2)CC1(C)C ZINC000544783500 1127983338 /nfs/dbraw/zinc/98/33/38/1127983338.db2.gz ARKFVWYGINTDCW-NSHDSACASA-N 0 1 276.355 3.835 20 0 CHADMN C[C@@H]1CCN(Cc2cc(-c3ccco3)on2)CC1(C)C ZINC000544785526 1127983664 /nfs/dbraw/zinc/98/36/64/1127983664.db2.gz ROYVXUWJHNAMDD-GFCCVEGCSA-N 0 1 274.364 3.803 20 0 CHADMN Cc1cccc(-c2noc(-c3cc(-c4ccoc4)n[nH]3)n2)c1 ZINC000544902428 1127989300 /nfs/dbraw/zinc/98/93/00/1127989300.db2.gz VUKQSLYIZWAFNW-UHFFFAOYSA-N 0 1 292.298 3.695 20 0 CHADMN CC(C)=CCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000545277542 1128008787 /nfs/dbraw/zinc/00/87/87/1128008787.db2.gz VUIZVOBVLWDLGI-LBPRGKRZSA-N 0 1 251.320 3.720 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1csc(-c2ccco2)n1 ZINC000252015851 1128013632 /nfs/dbraw/zinc/01/36/32/1128013632.db2.gz VPAKPPJHDAKTSZ-SNVBAGLBSA-N 0 1 262.378 3.633 20 0 CHADMN CC[C@H](N[C@@H](C)c1c(C)cccc1C)c1ccn(C)n1 ZINC000545519835 1128019090 /nfs/dbraw/zinc/01/90/90/1128019090.db2.gz PYUKYBNAYXIQFZ-GJZGRUSLSA-N 0 1 271.408 3.839 20 0 CHADMN CC(C)CCO[C@H]1CCN(CCc2cccc(F)c2F)C1 ZINC000541348861 1128019513 /nfs/dbraw/zinc/01/95/13/1128019513.db2.gz HAZNNEVNHSLZGG-HNNXBMFYSA-N 0 1 297.389 3.644 20 0 CHADMN Cc1cc(F)cc(-c2nc(-c3ccc4[nH]cnc4c3)no2)c1 ZINC000545731521 1128030699 /nfs/dbraw/zinc/03/06/99/1128030699.db2.gz GOCSZZNUGJUVIJ-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1ccc(C)c(-c2nc(-c3ccc4[nH]cnc4c3)no2)c1 ZINC000545746545 1128031435 /nfs/dbraw/zinc/03/14/35/1128031435.db2.gz KMASFSISFGURKQ-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN CCCCN[C@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000541686824 1128033804 /nfs/dbraw/zinc/03/38/04/1128033804.db2.gz KNZZTPOQZXQWTB-GFCCVEGCSA-N 0 1 273.380 3.750 20 0 CHADMN CCC1(CC)CN(CCC2CCCCC2)CC[S@]1=O ZINC000469444424 1128043366 /nfs/dbraw/zinc/04/33/66/1128043366.db2.gz LGTATDAYNMSQKG-LJQANCHMSA-N 0 1 285.497 3.580 20 0 CHADMN OC[C@H](NCCCC1CCCC1)c1c(F)cccc1F ZINC000541958690 1128045097 /nfs/dbraw/zinc/04/50/97/1128045097.db2.gz RUDCCMSMODPGOC-HNNXBMFYSA-N 0 1 283.362 3.558 20 0 CHADMN Cc1nc2cc(NC3CC(OC(C)(C)C)C3)ccc2n1C ZINC000542169904 1128054188 /nfs/dbraw/zinc/05/41/88/1128054188.db2.gz YWHJUQZPQASFHA-UHFFFAOYSA-N 0 1 287.407 3.640 20 0 CHADMN CCCCO[C@H]1C[C@@H](N(C)Cc2ccc(F)cn2)C1(C)C ZINC000469716321 1128050553 /nfs/dbraw/zinc/05/05/53/1128050553.db2.gz HOLJCAYJGVJGOA-CVEARBPZSA-N 0 1 294.414 3.636 20 0 CHADMN C[C@@H]1CN(Cc2cnc(-c3ccccc3)o2)C[C@H](C)S1 ZINC000929725880 1128056954 /nfs/dbraw/zinc/05/69/54/1128056954.db2.gz MTZLYFBACYNILF-BETUJISGSA-N 0 1 288.416 3.667 20 0 CHADMN Cc1cc(C)cc(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)c1 ZINC000470327231 1128068363 /nfs/dbraw/zinc/06/83/63/1128068363.db2.gz MZVLNQPMZMUXGK-UHFFFAOYSA-N 0 1 299.418 3.596 20 0 CHADMN C[C@H]1CCC[C@H]1CC(=O)Nc1cccc(Cl)c1O ZINC000470406548 1128070857 /nfs/dbraw/zinc/07/08/57/1128070857.db2.gz BWZJMGMLHTZNQX-UWVGGRQHSA-N 0 1 267.756 3.810 20 0 CHADMN C[C@@H](NCc1cc(F)cc2c1OCOC2)c1ccsc1 ZINC000669937975 1128076795 /nfs/dbraw/zinc/07/67/95/1128076795.db2.gz YXLJIHBGKIKOAV-SNVBAGLBSA-N 0 1 293.363 3.605 20 0 CHADMN CC(C)CN(CC(C)C)C(=O)CN[C@H](C)c1ccsc1 ZINC000669938391 1128077131 /nfs/dbraw/zinc/07/71/31/1128077131.db2.gz MUEBOHJKBFMLNX-CQSZACIVSA-N 0 1 296.480 3.539 20 0 CHADMN C[C@H](CC(C)(C)C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000470699664 1128074619 /nfs/dbraw/zinc/07/46/19/1128074619.db2.gz BPOYCRYORRWHER-CHWSQXEVSA-N 0 1 296.480 3.539 20 0 CHADMN CCN(CC)Cc1ccc(Cl)cc1Br ZINC000303673557 1128075640 /nfs/dbraw/zinc/07/56/40/1128075640.db2.gz XLIJFUJTWNEUJU-UHFFFAOYSA-N 0 1 276.605 3.944 20 0 CHADMN O=C(NCCCSc1cccc(Cl)c1)C(F)(F)F ZINC000151779023 1128076038 /nfs/dbraw/zinc/07/60/38/1128076038.db2.gz AYZJTDYJTUSIEJ-UHFFFAOYSA-N 0 1 297.729 3.501 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2ccc(N)nc2)o1 ZINC000929760678 1128083344 /nfs/dbraw/zinc/08/33/44/1128083344.db2.gz VXXIGKDVQKAVQN-IUODEOHRSA-N 0 1 285.391 3.538 20 0 CHADMN C[C@H](c1ccncc1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000669942973 1128083503 /nfs/dbraw/zinc/08/35/03/1128083503.db2.gz DJBDWMHFZFBODF-PBHICJAKSA-N 0 1 270.351 3.713 20 0 CHADMN Cc1ccc(-c2noc([C@@H]3CCCN3C(C)C)n2)c(F)c1 ZINC000923970952 1128088076 /nfs/dbraw/zinc/08/80/76/1128088076.db2.gz MUILIEGPARHJDR-AWEZNQCLSA-N 0 1 289.354 3.729 20 0 CHADMN C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H](CO)C1 ZINC000304679332 1128090425 /nfs/dbraw/zinc/09/04/25/1128090425.db2.gz DQPDHSIVIGXGRP-QWRGUYRKSA-N 0 1 288.218 3.759 20 0 CHADMN COC1(OC)CC[C@H]1NC(c1ccccc1)c1ccccc1 ZINC000924528713 1128102028 /nfs/dbraw/zinc/10/20/28/1128102028.db2.gz QCKCDKGDXQCCPJ-QGZVFWFLSA-N 0 1 297.398 3.517 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cc(OC)no1)c1ccc(C)cc1 ZINC000924546712 1128103851 /nfs/dbraw/zinc/10/38/51/1128103851.db2.gz KNDUJYNGISMHLD-GXTWGEPZSA-N 0 1 274.364 3.794 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccccc1NC1CCCCC1 ZINC000913950846 1128104275 /nfs/dbraw/zinc/10/42/75/1128104275.db2.gz JDDSAOGUMZCGCR-UHFFFAOYSA-N 0 1 298.390 3.715 20 0 CHADMN C[C@H](N[C@@H]1CCOc2ccccc21)c1cccc2c1OCO2 ZINC000924564368 1128105488 /nfs/dbraw/zinc/10/54/88/1128105488.db2.gz QCWVGVYSIHAORU-SWLSCSKDSA-N 0 1 297.354 3.590 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cc(O)cc(F)c2)cc1F ZINC000924589793 1128106141 /nfs/dbraw/zinc/10/61/41/1128106141.db2.gz LNOHXNGMUOLZHU-LLVKDONJSA-N 0 1 277.314 3.830 20 0 CHADMN Cc1cccc(CN[C@H](C)c2cccc3c2OCO3)c1 ZINC000924597374 1128106806 /nfs/dbraw/zinc/10/68/06/1128106806.db2.gz JCQBVRUWPOIDQJ-CYBMUJFWSA-N 0 1 269.344 3.575 20 0 CHADMN CCCCOc1cccc(CN[C@@H](C)c2ccnnc2)c1 ZINC000924700472 1128109890 /nfs/dbraw/zinc/10/98/90/1128109890.db2.gz KGHPPXJXVWFQNM-AWEZNQCLSA-N 0 1 285.391 3.506 20 0 CHADMN COc1cccc([C@H](C)N[C@@H](C)c2cccc3c2OCO3)c1 ZINC000924722574 1128111786 /nfs/dbraw/zinc/11/17/86/1128111786.db2.gz GUPFMIYQBYBGQZ-STQMWFEESA-N 0 1 299.370 3.836 20 0 CHADMN Cc1ccsc1CN[C@@H]1CCc2c1nccc2Cl ZINC000924793942 1128112984 /nfs/dbraw/zinc/11/29/84/1128112984.db2.gz NVNSANZXNWTLGV-GFCCVEGCSA-N 0 1 278.808 3.882 20 0 CHADMN CN(Cc1ccc(CF)cc1)Cc1ccccc1F ZINC000777536121 1128113934 /nfs/dbraw/zinc/11/39/34/1128113934.db2.gz ZCYRPLGWODYNNS-UHFFFAOYSA-N 0 1 261.315 3.927 20 0 CHADMN CC1(C)SC[C@H]1Nc1ccnc2cc(F)ccc21 ZINC000669972820 1128119020 /nfs/dbraw/zinc/11/90/20/1128119020.db2.gz IEJFNQFRASFSNR-CYBMUJFWSA-N 0 1 262.353 3.680 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C=Cc1ccsc1 ZINC000493040877 1128121199 /nfs/dbraw/zinc/12/11/99/1128121199.db2.gz UXWSBGKWHLDRNT-NSCUHMNNSA-N 0 1 283.356 3.585 20 0 CHADMN CCc1ccc(CN2CCC(Oc3ccccc3)CC2)o1 ZINC000350974301 1128125504 /nfs/dbraw/zinc/12/55/04/1128125504.db2.gz YPROUKXNUWGCEB-UHFFFAOYSA-N 0 1 285.387 3.885 20 0 CHADMN CO[C@H](C)c1nc(CNC2CC3(C2)CCCC3)cs1 ZINC000925236174 1128126222 /nfs/dbraw/zinc/12/62/22/1128126222.db2.gz KCIUPNKSZLTHPJ-LLVKDONJSA-N 0 1 280.437 3.663 20 0 CHADMN CCc1ccc(C(C)(C)CN[C@@H](C)c2ncco2)cc1 ZINC000925234256 1128126422 /nfs/dbraw/zinc/12/64/22/1128126422.db2.gz ZRZSLQHQUVWJAY-ZDUSSCGKSA-N 0 1 272.392 3.865 20 0 CHADMN Cc1ccc([C@@H](NC[C@]2(C)CCCO2)c2ccccn2)cc1 ZINC000925249026 1128126716 /nfs/dbraw/zinc/12/67/16/1128126716.db2.gz JVOIHOIGPBLUJY-MOPGFXCFSA-N 0 1 296.414 3.638 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H](C)c1cc(O)cc(F)c1 ZINC000925293594 1128128014 /nfs/dbraw/zinc/12/80/14/1128128014.db2.gz MKDPNOWPHHOBGS-NWDGAFQWSA-N 0 1 274.339 3.647 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H](C)c1cc(O)cc(F)c1 ZINC000925293589 1128128070 /nfs/dbraw/zinc/12/80/70/1128128070.db2.gz MKDPNOWPHHOBGS-NEPJUHHUSA-N 0 1 274.339 3.647 20 0 CHADMN CSC1CC(N[C@H](C)c2csc(C(C)C)n2)C1 ZINC000925447639 1128129221 /nfs/dbraw/zinc/12/92/21/1128129221.db2.gz ZWDZDBLDUWVPLL-KPPDAEKUSA-N 0 1 270.467 3.811 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H](C)c2ccc(F)c(C)c2)c1 ZINC000925505573 1128130560 /nfs/dbraw/zinc/13/05/60/1128130560.db2.gz QBYABVHVRFOTRS-STQMWFEESA-N 0 1 288.366 3.950 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc(O)cc(F)c2)c(C)c1 ZINC000925542523 1128131982 /nfs/dbraw/zinc/13/19/82/1128131982.db2.gz HFKJLFLGJIUWAE-LBPRGKRZSA-N 0 1 289.350 3.699 20 0 CHADMN CC(C)c1ccc([C@@H](N[C@@H]2CCOC2)c2cccnc2)cc1 ZINC000925617025 1128134194 /nfs/dbraw/zinc/13/41/94/1128134194.db2.gz PFDZYAHIBOUPDX-RTBURBONSA-N 0 1 296.414 3.673 20 0 CHADMN Cc1oc2ccccc2c1[C@H](C)NCc1cc(C)ncn1 ZINC000925628149 1128134916 /nfs/dbraw/zinc/13/49/16/1128134916.db2.gz GHGLFNOXYVMCLW-LBPRGKRZSA-N 0 1 281.359 3.690 20 0 CHADMN Cc1ccc([C@H](NCc2cc(N)cc[nH+]2)C2CCC2)cc1 ZINC000925765327 1128141237 /nfs/dbraw/zinc/14/12/37/1128141237.db2.gz AJPLOTDIJHNTFP-GOSISDBHSA-N 0 1 281.403 3.603 20 0 CHADMN CCSc1ccccc1C[C@@H](C)NCc1cocn1 ZINC000925869005 1128143845 /nfs/dbraw/zinc/14/38/45/1128143845.db2.gz IXACHYGENROWTP-GFCCVEGCSA-N 0 1 276.405 3.507 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)N(CC1OCCO1)C1CC1 ZINC000777576995 1128144039 /nfs/dbraw/zinc/14/40/39/1128144039.db2.gz QYKBRWJRXBWKOR-CQSZACIVSA-N 0 1 297.398 3.738 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)N(CC1OCCO1)C1CC1 ZINC000777576993 1128144272 /nfs/dbraw/zinc/14/42/72/1128144272.db2.gz QYKBRWJRXBWKOR-AWEZNQCLSA-N 0 1 297.398 3.738 20 0 CHADMN CCOc1cccc(CN(C)Cc2cccc3[nH]ccc32)n1 ZINC000494090642 1128154964 /nfs/dbraw/zinc/15/49/64/1128154964.db2.gz SNHXMDZMEIXURN-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN Cc1cc(C)cc([C@@H](NCCOC(C)C)c2cccnc2)c1 ZINC000926153521 1128157422 /nfs/dbraw/zinc/15/74/22/1128157422.db2.gz CTLSMQNQQBYXKW-IBGZPJMESA-N 0 1 298.430 3.802 20 0 CHADMN C[C@@H](CC(F)(F)F)N[C@@H]1CCc2c1nccc2Cl ZINC000926187081 1128158967 /nfs/dbraw/zinc/15/89/67/1128158967.db2.gz AGEKGQRFAVXOMB-OIBJUYFYSA-N 0 1 278.705 3.653 20 0 CHADMN COc1ccc2c(c1)OCCN([C@@H]1CCc3ccccc31)C2 ZINC000670098447 1128196861 /nfs/dbraw/zinc/19/68/61/1128196861.db2.gz GSOGBFXNGGSIKT-GOSISDBHSA-N 0 1 295.382 3.577 20 0 CHADMN CCc1ccc(CNCc2cc(O)ccc2Cl)s1 ZINC001203495984 1128161076 /nfs/dbraw/zinc/16/10/76/1128161076.db2.gz AQEJGYLWPRIKJT-UHFFFAOYSA-N 0 1 281.808 3.959 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2NCC(C)(C)C(F)(F)F ZINC000926366980 1128169273 /nfs/dbraw/zinc/16/92/73/1128169273.db2.gz JFHOBKSWSZYSQQ-SECBINFHSA-N 0 1 276.302 3.539 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H](C)c1coc2ccccc21 ZINC000926839206 1128197662 /nfs/dbraw/zinc/19/76/62/1128197662.db2.gz YFLGMGONFSPZPM-AAEUAGOBSA-N 0 1 281.359 3.943 20 0 CHADMN CN(Cc1ccc(CF)cc1)Cc1ccc(Cl)nc1 ZINC000777596602 1128170348 /nfs/dbraw/zinc/17/03/48/1128170348.db2.gz SUZQXTVYSIAYAY-UHFFFAOYSA-N 0 1 278.758 3.837 20 0 CHADMN CCCc1csc(CNCCSc2ccccc2)n1 ZINC000494372072 1128171619 /nfs/dbraw/zinc/17/16/19/1128171619.db2.gz AQAQGDKVXNYTKL-UHFFFAOYSA-N 0 1 292.473 3.978 20 0 CHADMN Cc1nc(CN[C@H](C)CCOCc2ccccc2)cs1 ZINC000288477122 1128173313 /nfs/dbraw/zinc/17/33/13/1128173313.db2.gz PLOKNSSYCSFHMG-CYBMUJFWSA-N 0 1 290.432 3.537 20 0 CHADMN C[C@@H](NC[C@H]1CCCCC(F)(F)C1)c1ncco1 ZINC000926469474 1128173545 /nfs/dbraw/zinc/17/35/45/1128173545.db2.gz MJVVMXDRIPVHLL-MNOVXSKESA-N 0 1 258.312 3.541 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc(C2CC2)c1)c1cn(C)cn1 ZINC000926493992 1128175632 /nfs/dbraw/zinc/17/56/32/1128175632.db2.gz XMUKPXAOFSTAML-CHWSQXEVSA-N 0 1 269.392 3.709 20 0 CHADMN Cc1oc2ccccc2c1[C@H](C)NCc1n[nH]c(C2CC2)n1 ZINC000926505931 1128176405 /nfs/dbraw/zinc/17/64/05/1128176405.db2.gz LUDRCKHAOCCZRT-JTQLQIEISA-N 0 1 296.374 3.588 20 0 CHADMN C[C@H](NC[C@@H]1CCC[C@@H]1c1ccccc1)c1ncco1 ZINC000926502511 1128176438 /nfs/dbraw/zinc/17/64/38/1128176438.db2.gz SRZNBNXAJHBHQX-CWRNSKLLSA-N 0 1 270.376 3.909 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3c(Cl)ccnc32)ccn1 ZINC000926505934 1128176552 /nfs/dbraw/zinc/17/65/52/1128176552.db2.gz LYTXWJMXBJNMMW-OAHLLOKOSA-N 0 1 287.794 3.606 20 0 CHADMN CCCCN(CCCC)Cc1nc(CC(F)(F)F)no1 ZINC000494568273 1128178114 /nfs/dbraw/zinc/17/81/14/1128178114.db2.gz XKJQOJBWARPVNL-UHFFFAOYSA-N 0 1 293.333 3.577 20 0 CHADMN Cc1ccc(CN2C[C@H](C)OC3(CCCCC3)C2)c(C)n1 ZINC000653903867 1128198171 /nfs/dbraw/zinc/19/81/71/1128198171.db2.gz IUYXNSJKKMUXJQ-HNNXBMFYSA-N 0 1 288.435 3.622 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccnn2CC2CCC2)cc(C)n1 ZINC000926599835 1128183366 /nfs/dbraw/zinc/18/33/66/1128183366.db2.gz GICRJTXEYSXFAM-HNNXBMFYSA-N 0 1 298.434 3.546 20 0 CHADMN COc1ccccc1[C@@H](N[C@@H]1C[C@H]2C[C@H]2C1)c1ccccn1 ZINC000926618097 1128183930 /nfs/dbraw/zinc/18/39/30/1128183930.db2.gz YKKUJBBYWPGUNP-NXEZDXNNSA-N 0 1 294.398 3.568 20 0 CHADMN O[C@@H]1CN(Cc2sc3ccccc3c2Cl)CC12CC2 ZINC000494683013 1128185928 /nfs/dbraw/zinc/18/59/28/1128185928.db2.gz CCVFLYDGRHTTDK-CYBMUJFWSA-N 0 1 293.819 3.511 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1C[C@H]1CC(C)(C)C ZINC000926652430 1128186230 /nfs/dbraw/zinc/18/62/30/1128186230.db2.gz SRZGMGAULFZDFG-RWMBFGLXSA-N 0 1 262.397 3.775 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1ccnnc1)c1ccccc1F ZINC000926692363 1128188348 /nfs/dbraw/zinc/18/83/48/1128188348.db2.gz IALUUZQGIQHTSV-BLLLJJGKSA-N 0 1 273.355 3.664 20 0 CHADMN CCO[C@H]1C[C@H](N[C@@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000926695161 1128188484 /nfs/dbraw/zinc/18/84/84/1128188484.db2.gz VEBJHBYMJJKDLF-LNLFQRSKSA-N 0 1 296.414 3.637 20 0 CHADMN C[C@H](NC[C@@]1(c2ccccc2)CC1(C)C)c1ncco1 ZINC000926734410 1128191022 /nfs/dbraw/zinc/19/10/22/1128191022.db2.gz OQSOWXAORWSRAK-SUMWQHHRSA-N 0 1 270.376 3.693 20 0 CHADMN C[C@@H]1C[C@@H](NCCCCCCc2ccccc2)c2ncnn21 ZINC000926742663 1128191603 /nfs/dbraw/zinc/19/16/03/1128191603.db2.gz AWOSAODLULYDDS-NVXWUHKLSA-N 0 1 298.434 3.677 20 0 CHADMN C[C@@H](N[C@H]1CCCc2ccc(Cl)cc21)c1cn(C)cn1 ZINC000926769810 1128192554 /nfs/dbraw/zinc/19/25/54/1128192554.db2.gz POJMKVHRCSIPJM-ABAIWWIYSA-N 0 1 289.810 3.802 20 0 CHADMN CCC[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1ncccc1Cl ZINC000926768736 1128192564 /nfs/dbraw/zinc/19/25/64/1128192564.db2.gz WOSHFXPGEAKNAV-VHDGCEQUSA-N 0 1 294.826 3.733 20 0 CHADMN F[C@@H]1CCCC[C@@H]1N[C@@H](c1ccccn1)C1CCC1 ZINC000926784671 1128194477 /nfs/dbraw/zinc/19/44/77/1128194477.db2.gz HEFDCHPBJDUPMM-IJEWVQPXSA-N 0 1 262.372 3.793 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2NCC(C)(C)C(C)(F)F ZINC000926800800 1128195562 /nfs/dbraw/zinc/19/55/62/1128195562.db2.gz HQSLTTNBHUMGBI-JTQLQIEISA-N 0 1 272.339 3.631 20 0 CHADMN CCCCOCCN(C)Cc1ccc(Cl)s1 ZINC000056267476 1128244273 /nfs/dbraw/zinc/24/42/73/1128244273.db2.gz LBMKDQUXLYCZQJ-UHFFFAOYSA-N 0 1 261.818 3.650 20 0 CHADMN CN(Cc1cnn(CCF)c1)Cc1cccc2ccccc21 ZINC000929286487 1128268474 /nfs/dbraw/zinc/26/84/74/1128268474.db2.gz RAXLOWLTOAMORZ-UHFFFAOYSA-N 0 1 297.377 3.638 20 0 CHADMN Clc1cscc1CN1CCC2(CCOCC2)CC1 ZINC000671311745 1128255952 /nfs/dbraw/zinc/25/59/52/1128255952.db2.gz JZPKXRFTIFONPN-UHFFFAOYSA-N 0 1 285.840 3.794 20 0 CHADMN CCc1ncc(CN2CCC[C@@H]2c2cccs2)o1 ZINC000929131091 1128259259 /nfs/dbraw/zinc/25/92/59/1128259259.db2.gz JXPWNMPRXCEWFU-GFCCVEGCSA-N 0 1 262.378 3.636 20 0 CHADMN CN(CCc1ccns1)Cc1ccc(Cl)s1 ZINC000929133897 1128260075 /nfs/dbraw/zinc/26/00/75/1128260075.db2.gz QHTSUEQKBIGSBE-UHFFFAOYSA-N 0 1 272.826 3.533 20 0 CHADMN C(c1nc2c(s1)CCCC2)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000648762081 1128262956 /nfs/dbraw/zinc/26/29/56/1128262956.db2.gz MFWRMXNLHHNAMR-DYVFJYSZSA-N 0 1 288.460 3.642 20 0 CHADMN CCOc1ccc(CN(C)[C@H](C)c2ccc(F)nc2)cc1 ZINC000929209428 1128264275 /nfs/dbraw/zinc/26/42/75/1128264275.db2.gz QCECMAABAAUGDR-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN(C)CCCC(C)(F)F ZINC000929247772 1128265393 /nfs/dbraw/zinc/26/53/93/1128265393.db2.gz ZSWWCNMLAHQKPH-UHFFFAOYSA-N 0 1 298.377 3.609 20 0 CHADMN CCSc1ccccc1CCN[C@@H](C)c1cc(C)on1 ZINC000926917932 1128202511 /nfs/dbraw/zinc/20/25/11/1128202511.db2.gz CCPYPSPWPUQZJX-ZDUSSCGKSA-N 0 1 290.432 3.988 20 0 CHADMN CC(C)[C@@H]1C[C@@H](N[C@@H]2COc3cc(F)cc(F)c32)CS1 ZINC000683109890 1128203858 /nfs/dbraw/zinc/20/38/58/1128203858.db2.gz HGEXEHQYPWSTFY-QKCSRTOESA-N 0 1 299.386 3.518 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@]2(C)CCCCO2)cs1 ZINC000927017000 1128208446 /nfs/dbraw/zinc/20/84/46/1128208446.db2.gz HWMKCWSVGIAPGG-DOMZBBRYSA-N 0 1 282.453 3.876 20 0 CHADMN C[C@H](N[C@@H]1CCCc2cccnc21)c1ccccc1N(C)C ZINC000927059639 1128212192 /nfs/dbraw/zinc/21/21/92/1128212192.db2.gz JPAHDBBSSUWRLE-WMLDXEAASA-N 0 1 295.430 3.876 20 0 CHADMN CCn1nc(C)c([C@H](C)N[C@@H]2CCCc3cccnc32)c1C ZINC000927059667 1128212472 /nfs/dbraw/zinc/21/24/72/1128212472.db2.gz KLRNKVPDIZUSJP-BLLLJJGKSA-N 0 1 298.434 3.643 20 0 CHADMN Cc1cncc([C@@H](C)N[C@@H]2CCCc3cccnc32)c1 ZINC000927062359 1128213005 /nfs/dbraw/zinc/21/30/05/1128213005.db2.gz YZTVLNGZHCJYLL-CZUORRHYSA-N 0 1 267.376 3.513 20 0 CHADMN c1cnc2c(c1)CCC[C@H]2N[C@@H]1CCCc2cccnc21 ZINC000927061756 1128213586 /nfs/dbraw/zinc/21/35/86/1128213586.db2.gz SDDPTUZEUJMPTA-HZPDHXFCSA-N 0 1 279.387 3.521 20 0 CHADMN CCCC[C@@H](NCc1nc(CC(C)C)no1)C1CCC1 ZINC000542526227 1128214989 /nfs/dbraw/zinc/21/49/89/1128214989.db2.gz SRUUZXKEHGPXHZ-CQSZACIVSA-N 0 1 279.428 3.717 20 0 CHADMN CCOc1c(Cl)cccc1CN1CCC[C@@H]1C ZINC000494964418 1128217776 /nfs/dbraw/zinc/21/77/76/1128217776.db2.gz PDVDHGNKNCSZNI-NSHDSACASA-N 0 1 253.773 3.723 20 0 CHADMN C[C@H]1CCc2ccccc2[C@H]1NCc1cc(C2CC2)n(C)n1 ZINC000927111416 1128218291 /nfs/dbraw/zinc/21/82/91/1128218291.db2.gz BVFLYNCXRLAEKK-DJJJIMSYSA-N 0 1 295.430 3.711 20 0 CHADMN Cn1nc(CN[C@@H](c2ccccc2)C2CCC2)cc1C1CC1 ZINC000927106136 1128218544 /nfs/dbraw/zinc/21/85/44/1128218544.db2.gz ACTHZIRJZXOTKF-IBGZPJMESA-N 0 1 295.430 3.929 20 0 CHADMN CC1=CCN(Cc2cnc(-c3ccco3)s2)CC1 ZINC000494981126 1128219061 /nfs/dbraw/zinc/21/90/61/1128219061.db2.gz QRYCQVIFIDDFPJ-UHFFFAOYSA-N 0 1 260.362 3.555 20 0 CHADMN CC[C@@H](NCc1cc(C2CC2)n(C)n1)c1ccccc1 ZINC000927113747 1128219281 /nfs/dbraw/zinc/21/92/81/1128219281.db2.gz MMKBYDSEJNTZAV-MRXNPFEDSA-N 0 1 269.392 3.538 20 0 CHADMN CCOc1c(Cl)cccc1C[N@@H+](C)CCCOC(C)C ZINC000495000081 1128221014 /nfs/dbraw/zinc/22/10/14/1128221014.db2.gz WFGYSBXKYXVUMK-UHFFFAOYSA-N 0 1 299.842 3.986 20 0 CHADMN CCc1onc(C)c1CN[C@@H](C)c1ccc(CC)cc1 ZINC000927139114 1128221259 /nfs/dbraw/zinc/22/12/59/1128221259.db2.gz GNGBQFJVBDAWGU-LBPRGKRZSA-N 0 1 272.392 3.959 20 0 CHADMN CCc1onc(C)c1CN[C@@H]1CCCc2ccccc21 ZINC000927139211 1128221354 /nfs/dbraw/zinc/22/13/54/1128221354.db2.gz HCDBGIQRXOWOTC-MRXNPFEDSA-N 0 1 270.376 3.713 20 0 CHADMN CCOc1ccc(CN2CCSC(C)(C)C2)cc1F ZINC000494994921 1128221875 /nfs/dbraw/zinc/22/18/75/1128221875.db2.gz IREUAXAVBZAAHQ-UHFFFAOYSA-N 0 1 283.412 3.552 20 0 CHADMN CCn1ncnc1CN[C@@H](c1ccccc1C)C1CCCC1 ZINC000494992209 1128221925 /nfs/dbraw/zinc/22/19/25/1128221925.db2.gz DOVMYYSZDQZRSS-GOSISDBHSA-N 0 1 298.434 3.628 20 0 CHADMN CCc1onc(C)c1CN[C@@H]1c2ccccc2C[C@@H]1C ZINC000927141951 1128222460 /nfs/dbraw/zinc/22/24/60/1128222460.db2.gz ZYYFRFOEIVEQHU-GTNSWQLSSA-N 0 1 270.376 3.569 20 0 CHADMN C[C@H](c1ccccc1F)N(C)CCOC1CCSCC1 ZINC000929285004 1128267084 /nfs/dbraw/zinc/26/70/84/1128267084.db2.gz IWWZKMWICXUHNZ-CYBMUJFWSA-N 0 1 297.439 3.731 20 0 CHADMN C[C@H](C1CC1)N(Cc1coc(C(C)(C)C)n1)C1CC1 ZINC000929274400 1128267119 /nfs/dbraw/zinc/26/71/19/1128267119.db2.gz FONNXUVDYDVLGN-LLVKDONJSA-N 0 1 262.397 3.735 20 0 CHADMN Cc1nc(C)c(CN(C)[C@@H](C)c2ccc(C)cc2)[nH]1 ZINC000929278395 1128267190 /nfs/dbraw/zinc/26/71/90/1128267190.db2.gz XUQGWDSLLGLOAV-ZDUSSCGKSA-N 0 1 257.381 3.528 20 0 CHADMN C(=C\c1ccncc1)\CN1CCSC[C@@H]1c1ccccc1 ZINC000495069879 1128228395 /nfs/dbraw/zinc/22/83/95/1128228395.db2.gz UNLDWRPVCUIITM-PYTPGESOSA-N 0 1 296.439 3.885 20 0 CHADMN Nc1c(F)cccc1CNC1(c2cccc(Cl)c2)CC1 ZINC000638662934 1128230477 /nfs/dbraw/zinc/23/04/77/1128230477.db2.gz CBVMRTSMKRNDLR-UHFFFAOYSA-N 0 1 290.769 3.840 20 0 CHADMN C[C@@H](C1CC1)N(Cc1coc(C(C)(C)C)n1)C1CC1 ZINC000929274401 1128267420 /nfs/dbraw/zinc/26/74/20/1128267420.db2.gz FONNXUVDYDVLGN-NSHDSACASA-N 0 1 262.397 3.735 20 0 CHADMN COc1ccncc1CN[C@@H](CC1CC1)c1ccccc1 ZINC000559870805 1128238601 /nfs/dbraw/zinc/23/86/01/1128238601.db2.gz JGPSOYCEVHIGPJ-KRWDZBQOSA-N 0 1 282.387 3.721 20 0 CHADMN C[C@@H](c1ccco1)N(C/C=C\c1ccncc1)C1CC1 ZINC000495165231 1128238654 /nfs/dbraw/zinc/23/86/54/1128238654.db2.gz QPQZHTXKOXUUQA-XBPVQUQDSA-N 0 1 268.360 3.913 20 0 CHADMN C[C@H](c1ccco1)N(C/C=C\c1ccncc1)C1CC1 ZINC000495165038 1128239950 /nfs/dbraw/zinc/23/99/50/1128239950.db2.gz QPQZHTXKOXUUQA-CTGSTSKSSA-N 0 1 268.360 3.913 20 0 CHADMN CC(C)[N@H+](Cc1ccco1)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929367499 1128271730 /nfs/dbraw/zinc/27/17/30/1128271730.db2.gz NTYVCLJYIHPNFO-STQMWFEESA-N 0 1 291.313 3.600 20 0 CHADMN CC(C)(C)c1nc(CN2CC[C@H](c3ccccc3)C2)co1 ZINC000929415419 1128273444 /nfs/dbraw/zinc/27/34/44/1128273444.db2.gz QAUKZUOQXBGQDE-HNNXBMFYSA-N 0 1 284.403 3.962 20 0 CHADMN C[C@@H](c1ncccn1)N1CCC[C@H](c2ccccc2)CC1 ZINC000929488287 1128275381 /nfs/dbraw/zinc/27/53/81/1128275381.db2.gz AZQHCRLTLHJNGX-RDJZCZTQSA-N 0 1 281.403 3.807 20 0 CHADMN CCC(CC)N(CCOC)Cc1coc(C(C)(C)C)n1 ZINC000929504085 1128276285 /nfs/dbraw/zinc/27/62/85/1128276285.db2.gz LUYJCKOZMRKKOU-UHFFFAOYSA-N 0 1 282.428 3.609 20 0 CHADMN CCc1nc(C)c([C@@H](C)N(C)C/C=C(/C)COC)s1 ZINC000929705178 1128283357 /nfs/dbraw/zinc/28/33/57/1128283357.db2.gz ZSMRINSGMMKJOX-BIRHUZIMSA-N 0 1 282.453 3.599 20 0 CHADMN COc1cc(Cl)cc(-c2cc3nc[nH]c3cc2OC)c1 ZINC001205135674 1128289257 /nfs/dbraw/zinc/28/92/57/1128289257.db2.gz QDHUULDFADIUAI-UHFFFAOYSA-N 0 1 288.734 3.901 20 0 CHADMN Cc1nc(C)c(CN2CC[C@@H](C)C[C@@H]2c2ccco2)[nH]1 ZINC000929757236 1128285008 /nfs/dbraw/zinc/28/50/08/1128285008.db2.gz FTIGGLFMJABFIR-IAQYHMDHSA-N 0 1 273.380 3.593 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000495445218 1128285910 /nfs/dbraw/zinc/28/59/10/1128285910.db2.gz RPZALNOETBVLAP-TYNCELHUSA-N 0 1 297.389 3.755 20 0 CHADMN CCc1onc(C)c1CNC1(c2ccccc2)CCC1 ZINC000929865386 1128291176 /nfs/dbraw/zinc/29/11/76/1128291176.db2.gz OIERHYBPUFRUCD-UHFFFAOYSA-N 0 1 270.376 3.714 20 0 CHADMN CC(C)[C@@H](C)N(C)CN1c2cccc3cccc(c23)C1=O ZINC000915209597 1128291659 /nfs/dbraw/zinc/29/16/59/1128291659.db2.gz PHZVVNMMKKFWPB-CYBMUJFWSA-N 0 1 282.387 3.734 20 0 CHADMN FCCn1cc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)cn1 ZINC000929890422 1128292221 /nfs/dbraw/zinc/29/22/21/1128292221.db2.gz WCBAWWBRCPLBRQ-GOSISDBHSA-N 0 1 299.393 3.505 20 0 CHADMN CC(C)OCc1noc(CN(C(C)C)C2CCCCC2)n1 ZINC000929949441 1128295071 /nfs/dbraw/zinc/29/50/71/1128295071.db2.gz AJVBYAHSRQBRRI-UHFFFAOYSA-N 0 1 295.427 3.538 20 0 CHADMN Cc1cc(CNC(C)(C)c2ccc(Cl)cc2)c(C)nn1 ZINC000929961835 1128295336 /nfs/dbraw/zinc/29/53/36/1128295336.db2.gz MDYNQPPZYTWZQK-UHFFFAOYSA-N 0 1 289.810 3.772 20 0 CHADMN Cc1noc(C)c1CN(C)[C@H](C)c1ccccc1C ZINC000193426355 1128295789 /nfs/dbraw/zinc/29/57/89/1128295789.db2.gz VOBNQKLRFMRJED-CYBMUJFWSA-N 0 1 258.365 3.793 20 0 CHADMN Cc1cccnc1[C@@H](N[C@@H](C)c1ccc(F)nc1)C(C)C ZINC000929979897 1128296316 /nfs/dbraw/zinc/29/63/16/1128296316.db2.gz HSWNUPQDJRTTRA-BBRMVZONSA-N 0 1 287.382 3.972 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1ccccc1CF ZINC000930119810 1128302039 /nfs/dbraw/zinc/30/20/39/1128302039.db2.gz RUKGQJGDOHNSGL-ZDUSSCGKSA-N 0 1 258.340 3.744 20 0 CHADMN CC[C@@H](N[C@H](C)c1snnc1C)c1ccc(C)cc1 ZINC000930183374 1128304741 /nfs/dbraw/zinc/30/47/41/1128304741.db2.gz ONLBAOCJHSUEQA-BXUZGUMPSA-N 0 1 275.421 3.957 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC001168491314 1128305437 /nfs/dbraw/zinc/30/54/37/1128305437.db2.gz KWSBOEHFFHMVPS-HNAYVOBHSA-N 0 1 299.389 3.830 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)N1CCO[C@@H](c2ccccc2)C1 ZINC001168491314 1128305442 /nfs/dbraw/zinc/30/54/42/1128305442.db2.gz KWSBOEHFFHMVPS-HNAYVOBHSA-N 0 1 299.389 3.830 20 0 CHADMN Cc1nnsc1[C@@H](C)N[C@@H](C)c1ccc(C)cc1 ZINC000930187994 1128305691 /nfs/dbraw/zinc/30/56/91/1128305691.db2.gz JVIWTAKKIJJILM-WDEREUQCSA-N 0 1 261.394 3.567 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1cccc2cccnc21 ZINC000731890626 1128306436 /nfs/dbraw/zinc/30/64/36/1128306436.db2.gz DREBZALEXHDYOB-UHFFFAOYSA-N 0 1 299.418 3.685 20 0 CHADMN CCOc1cccc([C@H](C)N[C@H](C)c2snnc2C)c1 ZINC000930209351 1128307172 /nfs/dbraw/zinc/30/71/72/1128307172.db2.gz BAPLXZWHYYKBEH-WDEREUQCSA-N 0 1 291.420 3.657 20 0 CHADMN COc1ccccc1[C@H](CC(C)C)NCc1ccc(N)nc1 ZINC000930233640 1128309584 /nfs/dbraw/zinc/30/95/84/1128309584.db2.gz SNYGLORGQNYKEL-INIZCTEOSA-N 0 1 299.418 3.549 20 0 CHADMN COc1ccc([C@@H](NCc2cc(C)cc(C)n2)C2CC2)cc1 ZINC000930239081 1128310523 /nfs/dbraw/zinc/31/05/23/1128310523.db2.gz KHQCHLCDUFJLCE-IBGZPJMESA-N 0 1 296.414 3.948 20 0 CHADMN CC(=O)Oc1ccc(C[N@H+]2Cc3ccccc3[C@H](C)C2)cc1 ZINC000762632439 1128311997 /nfs/dbraw/zinc/31/19/97/1128311997.db2.gz QGVPTRGIBPCBRH-CQSZACIVSA-N 0 1 295.382 3.731 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1[nH]c(C)nc1C ZINC000930327559 1128314652 /nfs/dbraw/zinc/31/46/52/1128314652.db2.gz YKXGAQBVTSIXNL-JTQLQIEISA-N 0 1 275.421 3.599 20 0 CHADMN CCc1cccc(CC)c1NC(=O)[C@@H]1CCCN1C(C)C ZINC000930357990 1128315618 /nfs/dbraw/zinc/31/56/18/1128315618.db2.gz FMNMPRWYLSQDMO-INIZCTEOSA-N 0 1 288.435 3.623 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CCC=C(c2ccco2)C1 ZINC000930442065 1128318866 /nfs/dbraw/zinc/31/88/66/1128318866.db2.gz MERGDPMMSLEUFZ-GFCCVEGCSA-N 0 1 272.323 3.664 20 0 CHADMN O=C(c1cc(F)cc(F)c1O)N(C1CC1)C1CCCCC1 ZINC000930528813 1128323599 /nfs/dbraw/zinc/32/35/99/1128323599.db2.gz QEEZYQUXJUVIAU-UHFFFAOYSA-N 0 1 295.329 3.608 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CCC[C@H](CC(F)(F)F)C1 ZINC000930747963 1128333823 /nfs/dbraw/zinc/33/38/23/1128333823.db2.gz HKFFQBCPNHHHGG-WDEREUQCSA-N 0 1 290.304 3.946 20 0 CHADMN CCCC[C@H](CC)NC1(c2cccc(F)c2)COC1 ZINC001257410885 1128327433 /nfs/dbraw/zinc/32/74/33/1128327433.db2.gz NNRYBYTZURVORC-HNNXBMFYSA-N 0 1 265.372 3.610 20 0 CHADMN CO[C@H]1CCN(Cc2nc(C)c(C(C)(C)C)s2)C[C@@H]1C ZINC000930641952 1128328026 /nfs/dbraw/zinc/32/80/26/1128328026.db2.gz ZYRFQVLULJJDPL-AAEUAGOBSA-N 0 1 296.480 3.606 20 0 CHADMN COC/C(C)=C\CN1CCC[C@@H]1c1ccc(F)cc1F ZINC000930665243 1128330512 /nfs/dbraw/zinc/33/05/12/1128330512.db2.gz WKYNELGULFBZKV-JQPKSGMCSA-N 0 1 281.346 3.694 20 0 CHADMN COc1cc(CN(C)Cc2ccc(C)cc2)cc(F)c1F ZINC001235439726 1128331425 /nfs/dbraw/zinc/33/14/25/1128331425.db2.gz BWPQUHUJJGPCQH-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN Nc1ccc(CN2CC3(CC=CC3)[C@@H]2c2ccccc2)cn1 ZINC000930824686 1128336463 /nfs/dbraw/zinc/33/64/63/1128336463.db2.gz FHHJGTKSYCMODX-SFHVURJKSA-N 0 1 291.398 3.557 20 0 CHADMN CCCC[N@@H+](CCOC)Cc1cc(Cl)ccc1OC ZINC000561558100 1128337858 /nfs/dbraw/zinc/33/78/58/1128337858.db2.gz HPSHEPVRIHCXRX-UHFFFAOYSA-N 0 1 285.815 3.597 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000193763967 1128338015 /nfs/dbraw/zinc/33/80/15/1128338015.db2.gz YXBZMFZZVJOHPX-RYUDHWBXSA-N 0 1 291.345 3.629 20 0 CHADMN CCC[C@H](C(=O)NOC1CCCCC1)c1ccccc1 ZINC000777958788 1128349167 /nfs/dbraw/zinc/34/91/67/1128349167.db2.gz PMDBWMBTWCTVQR-INIZCTEOSA-N 0 1 275.392 3.951 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ncc(C)cc1C ZINC001203521525 1128359203 /nfs/dbraw/zinc/35/92/03/1128359203.db2.gz BRVFSZKLCROAEC-UHFFFAOYSA-N 0 1 279.343 3.999 20 0 CHADMN CCO[C@@H]1CCCC[C@H]1N[C@H](C)c1nc(C)sc1C ZINC000648857947 1128359679 /nfs/dbraw/zinc/35/96/79/1128359679.db2.gz GXFPQTXOSJVHAI-LERXQTSPSA-N 0 1 282.453 3.758 20 0 CHADMN CCc1ncc(CN[C@](C)(CC)c2ccc(F)cc2)o1 ZINC000931379565 1128359746 /nfs/dbraw/zinc/35/97/46/1128359746.db2.gz AFXWBKJSQWKLFP-MRXNPFEDSA-N 0 1 276.355 3.791 20 0 CHADMN Cc1cc(C)nc(CN[C@H](C)c2ccc(F)cc2C)c1 ZINC000932562699 1128414657 /nfs/dbraw/zinc/41/46/57/1128414657.db2.gz SBUNEAOCWHZBRZ-CQSZACIVSA-N 0 1 272.367 3.997 20 0 CHADMN CCSc1ccccc1CN[C@H]1CCCn2nccc21 ZINC000931571256 1128370064 /nfs/dbraw/zinc/37/00/64/1128370064.db2.gz QYTYKWFQKXZVLW-AWEZNQCLSA-N 0 1 287.432 3.620 20 0 CHADMN CCc1onc(C)c1CN1CCC[C@H]1c1cncc(C)c1 ZINC000931567790 1128370248 /nfs/dbraw/zinc/37/02/48/1128370248.db2.gz XZVAENBYHZBXEP-INIZCTEOSA-N 0 1 285.391 3.586 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc3cccnc32)o1 ZINC000055527358 1128372113 /nfs/dbraw/zinc/37/21/13/1128372113.db2.gz VCFODVCNKDEMHW-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN FC(F)c1ccc(CN2CCS[C@@H]3CCCC[C@H]32)cn1 ZINC000638121380 1128415762 /nfs/dbraw/zinc/41/57/62/1128415762.db2.gz KTQSGPWUBZLXOG-ZIAGYGMSSA-N 0 1 298.402 3.879 20 0 CHADMN CCn1cccc1CN1CCC[C@@H]1c1cccc(C)n1 ZINC000562649265 1128415836 /nfs/dbraw/zinc/41/58/36/1128415836.db2.gz GJXXKVJLDJHMLL-QGZVFWFLSA-N 0 1 269.392 3.549 20 0 CHADMN CO[C@H](C)c1nc(CN(C)C[C@H](C)C(C)(C)C)cs1 ZINC000670265514 1128377622 /nfs/dbraw/zinc/37/76/22/1128377622.db2.gz WSLRBPVRDVAUJC-NWDGAFQWSA-N 0 1 284.469 3.965 20 0 CHADMN CCCC(=O)OC[C@@]1(F)CCN([C@H](C)c2ccccc2)C1 ZINC000763264268 1128385518 /nfs/dbraw/zinc/38/55/18/1128385518.db2.gz HEWVPYWTQFWGED-RHSMWYFYSA-N 0 1 293.382 3.505 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1cc(O)cc(Cl)c1 ZINC001235904112 1128387058 /nfs/dbraw/zinc/38/70/58/1128387058.db2.gz OPASAYJCZFNBSD-UHFFFAOYSA-N 0 1 258.708 3.897 20 0 CHADMN Clc1cncc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)c1 ZINC000931924225 1128388702 /nfs/dbraw/zinc/38/87/02/1128388702.db2.gz VDPPPPSQPFLJIB-WBVHZDCISA-N 0 1 284.790 3.509 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(Cl)cn2)c1 ZINC000562263226 1128391583 /nfs/dbraw/zinc/39/15/83/1128391583.db2.gz KHDQOVUTJUKKEX-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(Cl)cn2)cc1 ZINC000562264006 1128391854 /nfs/dbraw/zinc/39/18/54/1128391854.db2.gz ZDQUNEHDEZZJHL-UHFFFAOYSA-N 0 1 274.795 3.929 20 0 CHADMN CCCc1ccc([C@H](C)NCc2cnc(C)o2)cc1 ZINC000398048996 1128393033 /nfs/dbraw/zinc/39/30/33/1128393033.db2.gz DKYSGTYJXKYLQR-LBPRGKRZSA-N 0 1 258.365 3.786 20 0 CHADMN CC[C@@H](C)[C@H](C)N(C(=O)c1cccc(F)c1O)C1CC1 ZINC000932048638 1128393623 /nfs/dbraw/zinc/39/36/23/1128393623.db2.gz PFDMWWVBFPGMFH-MNOVXSKESA-N 0 1 279.355 3.571 20 0 CHADMN [O-]C(Nc1ccc(C2CCC2)cc1)=[NH+]c1ccncc1F ZINC000562331202 1128395360 /nfs/dbraw/zinc/39/53/60/1128395360.db2.gz LUYBNBDVZRSFDI-UHFFFAOYSA-N 0 1 285.322 3.554 20 0 CHADMN Cl/C=C\CN1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932620036 1128417558 /nfs/dbraw/zinc/41/75/58/1128417558.db2.gz VMNPCZOAWLFUKY-UQCOIBPSSA-N 0 1 282.840 3.564 20 0 CHADMN CCc1cnc(CN2CCC[C@@H](c3ccccc3)C2)o1 ZINC000562424067 1128401457 /nfs/dbraw/zinc/40/14/57/1128401457.db2.gz RXGVQNSTFCWGEC-OAHLLOKOSA-N 0 1 270.376 3.617 20 0 CHADMN FCc1ccc(CN[C@@H](c2ccccn2)C2CC2)cc1 ZINC000932383902 1128406020 /nfs/dbraw/zinc/40/60/20/1128406020.db2.gz OFNXALLQWMLESP-QGZVFWFLSA-N 0 1 270.351 3.792 20 0 CHADMN Cc1cc(C)c(CN[C@@H](c2ccccn2)C2CC2)c(C)n1 ZINC000932386285 1128407069 /nfs/dbraw/zinc/40/70/69/1128407069.db2.gz ORFYZDYIQGLCBZ-GOSISDBHSA-N 0 1 281.403 3.643 20 0 CHADMN c1ccc([C@@H](NCc2cncc3ccccc32)C2CC2)nc1 ZINC000932384510 1128407081 /nfs/dbraw/zinc/40/70/81/1128407081.db2.gz UNODNEQUUAKWMP-IBGZPJMESA-N 0 1 289.382 3.871 20 0 CHADMN c1ccc([C@H](NCc2cncc3ccccc32)C2CC2)nc1 ZINC000932384511 1128407208 /nfs/dbraw/zinc/40/72/08/1128407208.db2.gz UNODNEQUUAKWMP-LJQANCHMSA-N 0 1 289.382 3.871 20 0 CHADMN FCCCN(Cc1nc2ccccc2s1)C1CC1 ZINC000932400631 1128407517 /nfs/dbraw/zinc/40/75/17/1128407517.db2.gz TVQFMISUBHZWDX-UHFFFAOYSA-N 0 1 264.369 3.620 20 0 CHADMN Fc1cccc(CN(Cc2ccccn2)C2CCC2)c1 ZINC000932405644 1128408388 /nfs/dbraw/zinc/40/83/88/1128408388.db2.gz WREGINURHDMCRT-UHFFFAOYSA-N 0 1 270.351 3.775 20 0 CHADMN CC(C)n1ccc(CN[C@H](C)COCC2CCCCC2)n1 ZINC000932426049 1128409190 /nfs/dbraw/zinc/40/91/90/1128409190.db2.gz WPASHQNEVGVOHR-OAHLLOKOSA-N 0 1 293.455 3.539 20 0 CHADMN CN(Cc1cnc(NC(=O)OC(C)(C)C)s1)C(C)(C)C ZINC000496412248 1128409622 /nfs/dbraw/zinc/40/96/22/1128409622.db2.gz SXYXJCDYBLJPKD-UHFFFAOYSA-N 0 1 299.440 3.720 20 0 CHADMN COC(=O)c1cccc(CN2Cc3ccccc3[C@H](C)C2)c1 ZINC000916152530 1128409756 /nfs/dbraw/zinc/40/97/56/1128409756.db2.gz TTWJIHRWEFEWAO-CQSZACIVSA-N 0 1 295.382 3.593 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(F)cc2)c(F)c1 ZINC000037211097 1128422247 /nfs/dbraw/zinc/42/22/47/1128422247.db2.gz RJKVRGSVEFCSMB-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN O=C(OCCCc1ccccc1)c1ccc(O)c(Cl)c1 ZINC000916590531 1128426937 /nfs/dbraw/zinc/42/69/37/1128426937.db2.gz AGFJZIFRDKRGOY-UHFFFAOYSA-N 0 1 290.746 3.835 20 0 CHADMN C[C@@H](C[NH2+]Cc1cccc([O-])c1Cl)c1ccccc1 ZINC000328406013 1128430735 /nfs/dbraw/zinc/43/07/35/1128430735.db2.gz WTQHEJKXULJDPE-LBPRGKRZSA-N 0 1 275.779 3.939 20 0 CHADMN CCOc1cccc(CNCc2cc(C)ccc2OC)c1 ZINC000037505663 1128433290 /nfs/dbraw/zinc/43/32/90/1128433290.db2.gz LGUCICPYECJTCH-UHFFFAOYSA-N 0 1 285.387 3.692 20 0 CHADMN CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(O)c(Cl)c1 ZINC000088302013 1128433691 /nfs/dbraw/zinc/43/36/91/1128433691.db2.gz PNVKVYUOADXFOH-NXEZZACHSA-N 0 1 269.772 3.600 20 0 CHADMN COc1cccc([C@H](C)NCc2cc(C)ccc2OC)c1 ZINC000037771525 1128435697 /nfs/dbraw/zinc/43/56/97/1128435697.db2.gz RZFCNEFNRJIHBA-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccnc2Cl)cc1C ZINC000933483775 1128435732 /nfs/dbraw/zinc/43/57/32/1128435732.db2.gz KYGJUGGFXLHOSH-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CCc1nnc(CN2CCC(C)(C)[C@@H](c3ccccc3)C2)o1 ZINC000933522591 1128436854 /nfs/dbraw/zinc/43/68/54/1128436854.db2.gz KEHIIFPNXJICFT-OAHLLOKOSA-N 0 1 299.418 3.648 20 0 CHADMN CN(CCC1CCCCC1)C(=O)c1ccc(F)cc1O ZINC000123623235 1128439821 /nfs/dbraw/zinc/43/98/21/1128439821.db2.gz NIPWSSKCOUXURZ-UHFFFAOYSA-N 0 1 279.355 3.574 20 0 CHADMN CCCCCN(Cc1nc(C)no1)[C@H](C)CCC ZINC000063614363 1128444850 /nfs/dbraw/zinc/44/48/50/1128444850.db2.gz VRQDJKHLNAQWGK-GFCCVEGCSA-N 0 1 253.390 3.559 20 0 CHADMN CCO[C@@H]1C[C@@H]1N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000562943947 1128441922 /nfs/dbraw/zinc/44/19/22/1128441922.db2.gz GMZBTLHUGZFIAL-YQQAZPJKSA-N 0 1 287.403 3.590 20 0 CHADMN C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1c(F)cccc1Cl ZINC000124279341 1128443001 /nfs/dbraw/zinc/44/30/01/1128443001.db2.gz LDFXCCMPWVJVKJ-STQMWFEESA-N 0 1 299.817 3.995 20 0 CHADMN CSc1ccccc1CN[C@@H](C)c1cncs1 ZINC000934195320 1128454905 /nfs/dbraw/zinc/45/49/05/1128454905.db2.gz MRVZHWFJSKWTGO-JTQLQIEISA-N 0 1 264.419 3.716 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cccc3c2OCO3)cc1 ZINC000125807121 1128453596 /nfs/dbraw/zinc/45/35/96/1128453596.db2.gz ALXUQAQRWGNJKX-CYBMUJFWSA-N 0 1 299.370 3.617 20 0 CHADMN CCCCc1nc(CN[C@H](C)Cc2cccnc2)cs1 ZINC000934242870 1128455928 /nfs/dbraw/zinc/45/59/28/1128455928.db2.gz YDWFGVVAOLQKLR-CYBMUJFWSA-N 0 1 289.448 3.602 20 0 CHADMN Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000126087679 1128460656 /nfs/dbraw/zinc/46/06/56/1128460656.db2.gz QLKJFDCKEYYUEJ-SFHVURJKSA-N 0 1 267.372 3.569 20 0 CHADMN Cc1ccccc1[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000126087679 1128460659 /nfs/dbraw/zinc/46/06/59/1128460659.db2.gz QLKJFDCKEYYUEJ-SFHVURJKSA-N 0 1 267.372 3.569 20 0 CHADMN C[C@H](N[C@@H]1CC=CC[C@H]1C)c1noc(-c2ccccc2)n1 ZINC000934623029 1128465179 /nfs/dbraw/zinc/46/51/79/1128465179.db2.gz XQZCIKRLVZMKJQ-VNHYZAJKSA-N 0 1 283.375 3.742 20 0 CHADMN CSCC(C)(C)NCc1cc(-c2ccccc2)on1 ZINC000934677412 1128465669 /nfs/dbraw/zinc/46/56/69/1128465669.db2.gz OMDBQPMFFPAIMU-UHFFFAOYSA-N 0 1 276.405 3.573 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2coc(-c3cccs3)n2)C1 ZINC000066406398 1128472939 /nfs/dbraw/zinc/47/29/39/1128472939.db2.gz ZVVGEADSQFKTHB-TXEJJXNPSA-N 0 1 276.405 3.881 20 0 CHADMN C[C@H](CCc1ccccc1)Sc1nc(C2CC2)n[nH]1 ZINC000127183912 1128473293 /nfs/dbraw/zinc/47/32/93/1128473293.db2.gz FTHGUJKYEIPDDU-LLVKDONJSA-N 0 1 273.405 3.796 20 0 CHADMN C[C@H](CCc1ccccc1)Sc1n[nH]c(C2CC2)n1 ZINC000127183912 1128473296 /nfs/dbraw/zinc/47/32/96/1128473296.db2.gz FTHGUJKYEIPDDU-LLVKDONJSA-N 0 1 273.405 3.796 20 0 CHADMN CCC[C@H](C)CC[C@H](C)N1CC2(C1)CCCCO2 ZINC001257474341 1128475307 /nfs/dbraw/zinc/47/53/07/1128475307.db2.gz ANRVBGYNIFNQTC-GJZGRUSLSA-N 0 1 253.430 3.846 20 0 CHADMN COc1ccccc1CN(C)Cc1cccc2cccnc21 ZINC000066608454 1128475797 /nfs/dbraw/zinc/47/57/97/1128475797.db2.gz ZVXLIIFTPRVUJY-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN CC(C)[N@H+](CC(=O)Nc1ccc2ccccc2c1)CC1CC1 ZINC000917101909 1128481365 /nfs/dbraw/zinc/48/13/65/1128481365.db2.gz SXGRTTQUZUSMBT-UHFFFAOYSA-N 0 1 296.414 3.899 20 0 CHADMN COc1ccc([C@@H]2CCCN2Cc2cnc(C)s2)cc1 ZINC000128030534 1128485760 /nfs/dbraw/zinc/48/57/60/1128485760.db2.gz QTDYYNQAFQSQEO-INIZCTEOSA-N 0 1 288.416 3.797 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C[C@@H]1CCCC1(F)F ZINC000935613290 1128496095 /nfs/dbraw/zinc/49/60/95/1128496095.db2.gz BQJROUFLHJNSKQ-NSHDSACASA-N 0 1 293.317 3.635 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000935614157 1128496321 /nfs/dbraw/zinc/49/63/21/1128496321.db2.gz SQGQMNWIEGBDFE-FPMFFAJLSA-N 0 1 283.375 3.636 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1ccc(OC(F)F)cc1 ZINC000128490265 1128500432 /nfs/dbraw/zinc/50/04/32/1128500432.db2.gz KJPYKECWKWLVHH-GFCCVEGCSA-N 0 1 292.329 3.876 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])oc1CC ZINC000564738458 1128515028 /nfs/dbraw/zinc/51/50/28/1128515028.db2.gz BZSWMMPDJBVKRI-CYBMUJFWSA-N 0 1 279.380 3.695 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](c2cccnc2)C1 ZINC000564919500 1128517062 /nfs/dbraw/zinc/51/70/62/1128517062.db2.gz CUHGJDFLUOLZIH-DZGCQCFKSA-N 0 1 299.418 3.918 20 0 CHADMN C[N@H+](Cc1c(Cl)cccc1C(=O)[O-])CC1CCCC1 ZINC000565101360 1128519244 /nfs/dbraw/zinc/51/92/44/1128519244.db2.gz HESNCGSUWNAJDE-UHFFFAOYSA-N 0 1 281.783 3.660 20 0 CHADMN Cc1oc([C@H](C)[N@H+]2CC[C@@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000565102429 1128519699 /nfs/dbraw/zinc/51/96/99/1128519699.db2.gz HZHGUVZZVKQTJB-SWLSCSKDSA-N 0 1 299.370 3.837 20 0 CHADMN O=C([O-])[C@H](c1ccsc1)[N@H+]1CCCC2(CCCCC2)C1 ZINC000565101845 1128519811 /nfs/dbraw/zinc/51/98/11/1128519811.db2.gz YWFLIOOUGBUBPA-AWEZNQCLSA-N 0 1 293.432 3.920 20 0 CHADMN CN(CCCc1ccsc1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000565284259 1128524009 /nfs/dbraw/zinc/52/40/09/1128524009.db2.gz BIBYOJFMEIWTAK-UHFFFAOYSA-N 0 1 291.464 3.833 20 0 CHADMN Cc1ccc(C[N@@H+](C)Cc2ccsc2C(=O)[O-])cc1C ZINC000565374393 1128525326 /nfs/dbraw/zinc/52/53/26/1128525326.db2.gz XBIQCZJMXQJDTN-UHFFFAOYSA-N 0 1 289.400 3.695 20 0 CHADMN Cc1ncncc1[C@H](C)NCc1ccc(C(C)C)cc1 ZINC000565373417 1128525615 /nfs/dbraw/zinc/52/56/15/1128525615.db2.gz PFNQTAVKEXNRAG-ZDUSSCGKSA-N 0 1 269.392 3.759 20 0 CHADMN O=C([O-])CCC[N@H+]1CCCCC[C@H]1/C=C\c1cccs1 ZINC000565443100 1128527071 /nfs/dbraw/zinc/52/70/71/1128527071.db2.gz HXMMMACRSCBGDG-CMUBDUJZSA-N 0 1 293.432 3.871 20 0 CHADMN CC(=CC(=O)Nc1ccc2nc(C)[nH]c2c1)c1ccccc1 ZINC000917989517 1128527771 /nfs/dbraw/zinc/52/77/71/1128527771.db2.gz JDCPGOMEACQMID-ZRDIBKRKSA-N 0 1 291.354 3.913 20 0 CHADMN COc1ccccc1[C@H](CC(C)C)NCc1cnoc1C ZINC000129948235 1128559437 /nfs/dbraw/zinc/55/94/37/1128559437.db2.gz JDPMTGAEDMRSDM-INIZCTEOSA-N 0 1 288.391 3.869 20 0 CHADMN C[N@@H+](CCC1CCCCC1)[C@H](C(=O)[O-])c1ccccc1 ZINC000565721680 1128531014 /nfs/dbraw/zinc/53/10/14/1128531014.db2.gz RYRJTSJBTCOWNY-INIZCTEOSA-N 0 1 275.392 3.715 20 0 CHADMN CC(C)CSCCCN(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000565755175 1128532003 /nfs/dbraw/zinc/53/20/03/1128532003.db2.gz PVQRQZWFDIRCSS-UHFFFAOYSA-N 0 1 297.512 3.918 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1CCCCCC(=O)[O-] ZINC000565898409 1128534380 /nfs/dbraw/zinc/53/43/80/1128534380.db2.gz JIPLXLBWTZRFSF-KBPBESRZSA-N 0 1 255.402 3.532 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1CCC[C@H]1CCC1CCCC1 ZINC000565918143 1128534999 /nfs/dbraw/zinc/53/49/99/1128534999.db2.gz VQVSXSJMHKVQII-HNNXBMFYSA-N 0 1 274.408 3.722 20 0 CHADMN [O-]c1cccnc1C[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000565918143 1128535003 /nfs/dbraw/zinc/53/50/03/1128535003.db2.gz VQVSXSJMHKVQII-HNNXBMFYSA-N 0 1 274.408 3.722 20 0 CHADMN C[C@H](CC1CCCCC1)CN1CCOC[C@@H]1CC(F)F ZINC000565956546 1128536018 /nfs/dbraw/zinc/53/60/18/1128536018.db2.gz COTDIYLVFMFXDU-HIFRSBDPSA-N 0 1 289.410 3.949 20 0 CHADMN Cc1ncc(CN[C@H](Cc2ccncc2)c2cccs2)o1 ZINC000566004426 1128536653 /nfs/dbraw/zinc/53/66/53/1128536653.db2.gz RKRQESZEMGHNOZ-OAHLLOKOSA-N 0 1 299.399 3.513 20 0 CHADMN CCCCC[C@H](C)[N@@H+](C)CC(=O)OCc1ccccc1 ZINC001257519256 1128536905 /nfs/dbraw/zinc/53/69/05/1128536905.db2.gz FNDHAHNSOLDMAH-HNNXBMFYSA-N 0 1 277.408 3.630 20 0 CHADMN CCCCC[C@H](C)N(C)CC(=O)OCc1ccccc1 ZINC001257519256 1128536907 /nfs/dbraw/zinc/53/69/07/1128536907.db2.gz FNDHAHNSOLDMAH-HNNXBMFYSA-N 0 1 277.408 3.630 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2ccc3ccccc3c2)n1 ZINC000041123622 1128536944 /nfs/dbraw/zinc/53/69/44/1128536944.db2.gz DQRBDQJHOBHHCT-AWEZNQCLSA-N 0 1 267.332 3.546 20 0 CHADMN Cn1cccc1[C@@H]1CCCCN1Cc1ccc2c(n1)CCC2 ZINC000566054619 1128537475 /nfs/dbraw/zinc/53/74/75/1128537475.db2.gz UCNDTGQDOSJRCK-IBGZPJMESA-N 0 1 295.430 3.636 20 0 CHADMN CC(C)C[C@@H](N)c1noc(CCc2cccc(Cl)c2)n1 ZINC000566215815 1128539826 /nfs/dbraw/zinc/53/98/26/1128539826.db2.gz VKGKCDGSQKGIRG-CYBMUJFWSA-N 0 1 293.798 3.554 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@@H]1C[C@H]1C1CCC1 ZINC000566337718 1128542443 /nfs/dbraw/zinc/54/24/43/1128542443.db2.gz XXNVXPIUMZERDU-VHSXEESVSA-N 0 1 283.730 3.559 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000566358766 1128542541 /nfs/dbraw/zinc/54/25/41/1128542541.db2.gz LROUNHJSIJMZMQ-CQSZACIVSA-N 0 1 279.380 3.842 20 0 CHADMN C[C@]1(C(=O)[O-])CCC[N@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000566357125 1128542655 /nfs/dbraw/zinc/54/26/55/1128542655.db2.gz HKEZRPIGNDSILL-ZBFHGGJFSA-N 0 1 293.794 3.514 20 0 CHADMN CSc1ccc(F)cc1CNCc1ccncc1C ZINC000566542976 1128546860 /nfs/dbraw/zinc/54/68/60/1128546860.db2.gz SXSZNHCQKAMQRH-UHFFFAOYSA-N 0 1 276.380 3.541 20 0 CHADMN Cc1ncncc1[C@H](C)NCc1ccccc1COC(C)C ZINC000566689663 1128549996 /nfs/dbraw/zinc/54/99/96/1128549996.db2.gz SYAUQAKGYZUYGG-AWEZNQCLSA-N 0 1 299.418 3.561 20 0 CHADMN CC(C)c1nc(CSc2ccnc3ccccc32)n[nH]1 ZINC000566832012 1128551856 /nfs/dbraw/zinc/55/18/56/1128551856.db2.gz HTUMJRRWZBWBMI-UHFFFAOYSA-N 0 1 284.388 3.769 20 0 CHADMN CC[C@@H](c1ccccc1OC)N(C)Cc1ccncc1C ZINC000566836957 1128551889 /nfs/dbraw/zinc/55/18/89/1128551889.db2.gz KLVWLLKKTCRVCI-KRWDZBQOSA-N 0 1 284.403 3.982 20 0 CHADMN Cc1cnccc1CN1CCC(CC(F)(F)F)CC1 ZINC000567071263 1128557430 /nfs/dbraw/zinc/55/74/30/1128557430.db2.gz SPUQDLGKTMKYIH-UHFFFAOYSA-N 0 1 272.314 3.554 20 0 CHADMN CCC1(CNc2noc3ccc(Cl)cc32)CCOCC1 ZINC000567319051 1128562314 /nfs/dbraw/zinc/56/23/14/1128562314.db2.gz JFAFPDRSFICFED-UHFFFAOYSA-N 0 1 294.782 3.522 20 0 CHADMN C[C@@H](N[C@@H](c1ccc(F)cc1)C(C)(C)C)c1nccn1C ZINC000070444687 1128564218 /nfs/dbraw/zinc/56/42/18/1128564218.db2.gz YFFSDWZTJDGYAT-DOMZBBRYSA-N 0 1 289.398 3.997 20 0 CHADMN CCC(=O)CCC[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000556226403 1128564756 /nfs/dbraw/zinc/56/47/56/1128564756.db2.gz NUVBOLPBCBCBLK-LBPRGKRZSA-N 0 1 263.356 3.504 20 0 CHADMN CCC(=O)CCCN1CCc2cccc(F)c2[C@@H]1C ZINC000556226403 1128564760 /nfs/dbraw/zinc/56/47/60/1128564760.db2.gz NUVBOLPBCBCBLK-LBPRGKRZSA-N 0 1 263.356 3.504 20 0 CHADMN C[C@@H]1CCCCN1Cc1coc(-c2c(F)cccc2F)n1 ZINC000131306085 1128613399 /nfs/dbraw/zinc/61/33/99/1128613399.db2.gz NWMLNXFVZQCNAT-LLVKDONJSA-N 0 1 292.329 3.994 20 0 CHADMN CC[N@@H+](CCCCCC(=O)[O-])Cc1cccc(Cl)c1 ZINC000568059541 1128576850 /nfs/dbraw/zinc/57/68/50/1128576850.db2.gz DVZACJHHGGORIZ-UHFFFAOYSA-N 0 1 283.799 3.807 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC000568065812 1128577064 /nfs/dbraw/zinc/57/70/64/1128577064.db2.gz HJGMWKSAKLJAPV-IRXDYDNUSA-N 0 1 289.419 3.585 20 0 CHADMN CC(C)(C)CC[N@@H+](CCC(=O)[O-])Cc1cccc(F)c1F ZINC000568058875 1128577126 /nfs/dbraw/zinc/57/71/26/1128577126.db2.gz JJRUUHAXLCCHTB-UHFFFAOYSA-N 0 1 299.361 3.678 20 0 CHADMN Fc1cccc([C@@H]2C[C@H]2N2CCC=C(c3ccccn3)C2)c1 ZINC000568177078 1128579796 /nfs/dbraw/zinc/57/97/96/1128579796.db2.gz MEYCSWQPMSYCEQ-PKOBYXMFSA-N 0 1 294.373 3.866 20 0 CHADMN CC1=C(C)C[C@H](C(=O)Nc2cccc(-c3nnc[nH]3)c2)CC1 ZINC000568394171 1128584531 /nfs/dbraw/zinc/58/45/31/1128584531.db2.gz GDIXIMDILZPHQN-CQSZACIVSA-N 0 1 296.374 3.547 20 0 CHADMN CN(Cc1cc(C(C)(C)C)on1)[C@H]1CCc2ccccc2C1 ZINC000568449010 1128585386 /nfs/dbraw/zinc/58/53/86/1128585386.db2.gz MCYJLGQWUZFDBG-KRWDZBQOSA-N 0 1 298.430 3.961 20 0 CHADMN C[N@@H+](Cc1cnc(-c2cccs2)s1)[C@H]1CCSC1 ZINC000130582609 1128587917 /nfs/dbraw/zinc/58/79/17/1128587917.db2.gz SUFJYHUFGMJVBY-JTQLQIEISA-N 0 1 296.486 3.809 20 0 CHADMN C[C@@H](c1cccc2ccccc21)N1CCO[C@H](CF)C1 ZINC000568602970 1128588256 /nfs/dbraw/zinc/58/82/56/1128588256.db2.gz RONCAMLVDAJDGC-DZGCQCFKSA-N 0 1 273.351 3.571 20 0 CHADMN C[C@H](c1cccc2ccccc21)N1CCO[C@H](CF)C1 ZINC000568602974 1128588610 /nfs/dbraw/zinc/58/86/10/1128588610.db2.gz RONCAMLVDAJDGC-UKRRQHHQSA-N 0 1 273.351 3.571 20 0 CHADMN CSc1ccc(CN2CCC[C@H](OCC3CC3)C2)s1 ZINC000568820797 1128592005 /nfs/dbraw/zinc/59/20/05/1128592005.db2.gz RDDDGDAEOWPXGK-ZDUSSCGKSA-N 0 1 297.489 3.861 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1cccc(F)c1)CO2 ZINC000130744846 1128593211 /nfs/dbraw/zinc/59/32/11/1128593211.db2.gz CIOOHRHYVHZOTP-WBMJQRKESA-N 0 1 271.335 3.918 20 0 CHADMN C[C@@H]1CN(C/C=C/c2ccc(F)cc2)CCC1(F)F ZINC000568922160 1128594397 /nfs/dbraw/zinc/59/43/97/1128594397.db2.gz OMEFQEFISKOQER-QAVQXKDTSA-N 0 1 269.310 3.816 20 0 CHADMN Fc1cccc(C2(NCc3ccc4c(c3)COC4)CC2)c1 ZINC000763435129 1128594618 /nfs/dbraw/zinc/59/46/18/1128594618.db2.gz ZNBIJHQWLQKYNH-UHFFFAOYSA-N 0 1 283.346 3.635 20 0 CHADMN Cc1cccc(CN2CCO[C@H](c3ccccc3)C2)c1 ZINC000071852549 1128600657 /nfs/dbraw/zinc/60/06/57/1128600657.db2.gz TWXXPCSKPAIPPI-SFHVURJKSA-N 0 1 267.372 3.569 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N(C)Cc2cnc3cnccn23)c1 ZINC000131361796 1128615794 /nfs/dbraw/zinc/61/57/94/1128615794.db2.gz NJNIVKFSZDGFTC-OAHLLOKOSA-N 0 1 294.402 3.539 20 0 CHADMN CCN(C(=O)c1[nH]nc2ccccc21)[C@@H]1CCCC[C@H]1C ZINC000170773919 1128616739 /nfs/dbraw/zinc/61/67/39/1128616739.db2.gz KFGONDKOMMPJMK-IUODEOHRSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1ccc(-c2cc(C(=O)OCc3ccccc3C)[nH]n2)o1 ZINC000919326319 1128601887 /nfs/dbraw/zinc/60/18/87/1128601887.db2.gz SYMBVPOCLJDLDW-UHFFFAOYSA-N 0 1 296.326 3.644 20 0 CHADMN CCCCC[N@@H+](Cc1ccc(F)cc1)CC1(C(=O)[O-])CC1 ZINC000569228897 1128602035 /nfs/dbraw/zinc/60/20/35/1128602035.db2.gz FKMOYPZJZURKJG-UHFFFAOYSA-N 0 1 293.382 3.683 20 0 CHADMN COc1ccccc1/C=C/CN(C)[C@H](C)c1ccco1 ZINC000131091033 1128604446 /nfs/dbraw/zinc/60/44/46/1128604446.db2.gz SBGDJXUXNJRIIS-VIIAAUOXSA-N 0 1 271.360 3.994 20 0 CHADMN Cc1ccc(-c2n[nH]c(SC3CCCC3)n2)cc1 ZINC000072067763 1128605048 /nfs/dbraw/zinc/60/50/48/1128605048.db2.gz UTRWHBPMRDBUBJ-UHFFFAOYSA-N 0 1 259.378 3.815 20 0 CHADMN C[C@@H]1CCN(Cc2nnc(C3CC3)s2)[C@@H]2CCCC[C@H]12 ZINC000570131550 1128617147 /nfs/dbraw/zinc/61/71/47/1128617147.db2.gz KZCQZFCPZXCSTN-MRVWCRGKSA-N 0 1 291.464 3.816 20 0 CHADMN Cc1n[nH]cc1CN[C@H](c1ccc(Cl)cc1F)C(C)C ZINC000570596860 1128627120 /nfs/dbraw/zinc/62/71/20/1128627120.db2.gz OIHLGDFILTWDIQ-HNNXBMFYSA-N 0 1 295.789 3.998 20 0 CHADMN C(N[C@H]1CCCCC12CCCC2)c1nnc(C2CC2)o1 ZINC000556843308 1128628998 /nfs/dbraw/zinc/62/89/98/1128628998.db2.gz ZXMQMGFXHOKPLP-ZDUSSCGKSA-N 0 1 275.396 3.540 20 0 CHADMN C[C@H](NCc1cnc(C2CC2)s1)c1ccc2n[nH]cc2c1 ZINC000556845115 1128629365 /nfs/dbraw/zinc/62/93/65/1128629365.db2.gz YLXONFZNODZAEL-JTQLQIEISA-N 0 1 298.415 3.748 20 0 CHADMN CN(CC1CCCCC1)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000570757907 1128631235 /nfs/dbraw/zinc/63/12/35/1128631235.db2.gz LODCDEAQHHAWQK-UHFFFAOYSA-N 0 1 297.402 3.729 20 0 CHADMN CC(C)c1ccc([C@H]2CCCN2Cc2cnccn2)cc1 ZINC000570778586 1128631873 /nfs/dbraw/zinc/63/18/73/1128631873.db2.gz TVWVUFDODAJULQ-GOSISDBHSA-N 0 1 281.403 3.937 20 0 CHADMN CCc1cc(CN[C@@H](CC)c2cccc(C)c2)on1 ZINC000556870224 1128632950 /nfs/dbraw/zinc/63/29/50/1128632950.db2.gz GCDWDXXWUYQNLR-INIZCTEOSA-N 0 1 258.365 3.786 20 0 CHADMN CCCN(CC=C(C)C)CC(=O)Nc1ccccc1C ZINC000072822320 1128633199 /nfs/dbraw/zinc/63/31/99/1128633199.db2.gz PYTUSDGGJOXQQR-UHFFFAOYSA-N 0 1 274.408 3.612 20 0 CHADMN Cc1ccc(CN(C)CCc2ccccn2)c(Cl)c1 ZINC000570850843 1128633851 /nfs/dbraw/zinc/63/38/51/1128633851.db2.gz AFVZTQMVCIEAJI-UHFFFAOYSA-N 0 1 274.795 3.718 20 0 CHADMN CC(C)[C@@H]1CC[C@@H]1NCc1cc(COC(C)(C)C)on1 ZINC000556893560 1128637055 /nfs/dbraw/zinc/63/70/55/1128637055.db2.gz VTOAJRIXHLYEBB-GJZGRUSLSA-N 0 1 280.412 3.514 20 0 CHADMN C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCCCCC(=O)[O-])C1 ZINC000571931990 1128640363 /nfs/dbraw/zinc/64/03/63/1128640363.db2.gz YFXRGWDYCJCAGJ-BBRMVZONSA-N 0 1 293.382 3.854 20 0 CHADMN Cn1ccnc1[C@@H](N[C@@H]1CC(C)(C)c2ccccc21)C1CC1 ZINC000556911880 1128642179 /nfs/dbraw/zinc/64/21/79/1128642179.db2.gz JUGNXZUQUIBXCH-SJORKVTESA-N 0 1 295.430 3.883 20 0 CHADMN Cc1c(F)cccc1-c1ccc(CN(C)[C@H]2CCOC2)o1 ZINC000132052338 1128642511 /nfs/dbraw/zinc/64/25/11/1128642511.db2.gz OQZHJCOJNPOFQJ-ZDUSSCGKSA-N 0 1 289.350 3.615 20 0 CHADMN C[C@@H](Cc1ccsc1)N1CCOc2c(F)cccc2C1 ZINC000572321110 1128643842 /nfs/dbraw/zinc/64/38/42/1128643842.db2.gz PEPAVDJFRBGTMN-LBPRGKRZSA-N 0 1 291.391 3.713 20 0 CHADMN C[C@H](Cc1ccsc1)N1CCOc2c(F)cccc2C1 ZINC000572321109 1128644014 /nfs/dbraw/zinc/64/40/14/1128644014.db2.gz PEPAVDJFRBGTMN-GFCCVEGCSA-N 0 1 291.391 3.713 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cc[nH]n1)C1CCCC1 ZINC000572339483 1128644527 /nfs/dbraw/zinc/64/45/27/1128644527.db2.gz DXZLTBUUXKEGHG-KRWDZBQOSA-N 0 1 269.392 3.739 20 0 CHADMN CC(C)[C@@H]1CN([C@H](C)c2ccc(F)c(F)c2)CCCO1 ZINC000572546063 1128645331 /nfs/dbraw/zinc/64/53/31/1128645331.db2.gz KDXRGVABFYUWNG-WBMJQRKESA-N 0 1 283.362 3.773 20 0 CHADMN COc1ccc(F)cc1CNC(C)(C)c1cccs1 ZINC000572802111 1128647441 /nfs/dbraw/zinc/64/74/41/1128647441.db2.gz OWOSDXFNBBEWIL-UHFFFAOYSA-N 0 1 279.380 3.921 20 0 CHADMN CCCC(CCC)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000132442766 1128649658 /nfs/dbraw/zinc/64/96/58/1128649658.db2.gz YVNPSAXHLXHUHT-UHFFFAOYSA-N 0 1 291.370 3.535 20 0 CHADMN CCCOc1ccc(CN(C)Cc2cccnc2)cc1 ZINC000132474739 1128651236 /nfs/dbraw/zinc/65/12/36/1128651236.db2.gz QODBHDGHBOTDMB-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN C[C@H]1CCC[C@H](CCSc2nc(C3CC3)n[nH]2)C1 ZINC000556957277 1128651742 /nfs/dbraw/zinc/65/17/42/1128651742.db2.gz LPEBRFFXPCGKAV-WDEREUQCSA-N 0 1 265.426 3.991 20 0 CHADMN C[C@H]1CCC[C@H](CCSc2n[nH]c(C3CC3)n2)C1 ZINC000556957277 1128651744 /nfs/dbraw/zinc/65/17/44/1128651744.db2.gz LPEBRFFXPCGKAV-WDEREUQCSA-N 0 1 265.426 3.991 20 0 CHADMN CC(C)(C)[C@@H]1C[C@H](Nc2cc3c(cn2)CCC3)CS1 ZINC000556958590 1128651900 /nfs/dbraw/zinc/65/19/00/1128651900.db2.gz HXXPPLFGBFKTJD-KBPBESRZSA-N 0 1 276.449 3.902 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1c(C)nsc1C ZINC000573384111 1128654171 /nfs/dbraw/zinc/65/41/71/1128654171.db2.gz PUMPVYNVSJEVDN-LLVKDONJSA-N 0 1 290.432 3.928 20 0 CHADMN CCOc1cccc(Cl)c1CN1CCC[C@@H](COC)C1 ZINC000573455105 1128654325 /nfs/dbraw/zinc/65/43/25/1128654325.db2.gz BZZQKSGACGLFJG-CYBMUJFWSA-N 0 1 297.826 3.597 20 0 CHADMN C[C@@H](NCCC(C)(C)C(=O)OC(C)(C)C)c1cscn1 ZINC000573436631 1128654734 /nfs/dbraw/zinc/65/47/34/1128654734.db2.gz DQCYVHJQADWEIH-LLVKDONJSA-N 0 1 298.452 3.552 20 0 CHADMN C[C@@H]1CCCC[C@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000573831995 1128658127 /nfs/dbraw/zinc/65/81/27/1128658127.db2.gz RDKAJRVDBVAJJF-ZYHUDNBSSA-N 0 1 282.347 3.907 20 0 CHADMN CC[C@@H]1CCCC[C@H]1N(C)Cc1ncc(COC)s1 ZINC000574121914 1128662317 /nfs/dbraw/zinc/66/23/17/1128662317.db2.gz XDKKMVLOXRXRKR-TZMCWYRMSA-N 0 1 282.453 3.690 20 0 CHADMN CCCCC[C@@H](C)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000047220756 1128667834 /nfs/dbraw/zinc/66/78/34/1128667834.db2.gz RZWXWPTXTJLUFE-CQSZACIVSA-N 0 1 294.439 3.820 20 0 CHADMN Cc1c2cc(F)ccc2[nH]c1CN1CC2CCC1CC2 ZINC001138412779 1128675472 /nfs/dbraw/zinc/67/54/72/1128675472.db2.gz KKWXVYWATXBXPX-UHFFFAOYSA-N 0 1 272.367 3.990 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2NCc1cccc2c1NCCC2 ZINC000159324804 1128680717 /nfs/dbraw/zinc/68/07/17/1128680717.db2.gz CELVESVZFXFQEW-INIZCTEOSA-N 0 1 282.387 3.805 20 0 CHADMN C[C@H]1Cc2ccccc2[C@H]1NCc1ccc(Cl)o1 ZINC000600815633 1128683420 /nfs/dbraw/zinc/68/34/20/1128683420.db2.gz IFDSYQIPZFQUMC-BONVTDFDSA-N 0 1 261.752 3.956 20 0 CHADMN CCc1cnc(CN([C@@H](C)[C@@H](C)CC)C2CC2)o1 ZINC000075717346 1128688869 /nfs/dbraw/zinc/68/88/69/1128688869.db2.gz VAURGUFBRNPZFV-RYUDHWBXSA-N 0 1 250.386 3.636 20 0 CHADMN CC(C)CCc1ccc(NC(=O)[C@@H]2CCCCN2C)cc1 ZINC000600974872 1128689040 /nfs/dbraw/zinc/68/90/40/1128689040.db2.gz DSQQPDXLPNJGKS-KRWDZBQOSA-N 0 1 288.435 3.698 20 0 CHADMN Cc1oc([C@H](C)[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)cc1C(=O)[O-] ZINC000577878707 1128695807 /nfs/dbraw/zinc/69/58/07/1128695807.db2.gz SRNUXSCVNJSNNW-PEBVRCNWSA-N 0 1 291.391 3.859 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(F)c1O ZINC001127547299 1128693889 /nfs/dbraw/zinc/69/38/89/1128693889.db2.gz BMZGVIKRKYAVPO-BDJLRTHQSA-N 0 1 299.345 3.585 20 0 CHADMN Cc1nnsc1[C@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000929200102 1128694260 /nfs/dbraw/zinc/69/42/60/1128694260.db2.gz DYEHWFTYBGPMPV-SMDDNHRTSA-N 0 1 275.421 3.894 20 0 CHADMN Cc1cc(C[N@H+](C)[C@H](C)c2ccc(C(=O)[O-])o2)ccc1F ZINC000577878409 1128696327 /nfs/dbraw/zinc/69/63/27/1128696327.db2.gz HVPMIOURFXBSIE-LLVKDONJSA-N 0 1 291.322 3.618 20 0 CHADMN Cc1cc(-c2noc(C[C@@H]3CCC[C@H]3C)n2)cc2nc[nH]c21 ZINC000577898807 1128697603 /nfs/dbraw/zinc/69/76/03/1128697603.db2.gz PQTSJALLMWBQNV-PWSUYJOCSA-N 0 1 296.374 3.900 20 0 CHADMN CN(CN1CCSC1=O)C1CCC(C(C)(C)C)CC1 ZINC000921046761 1128699496 /nfs/dbraw/zinc/69/94/96/1128699496.db2.gz QXFVMXVKLRPXJJ-UHFFFAOYSA-N 0 1 284.469 3.649 20 0 CHADMN CCOc1ccc(CN2CCCC[C@H](F)C2)c(C)c1 ZINC001138430803 1128711917 /nfs/dbraw/zinc/71/19/17/1128711917.db2.gz JOHLBLAGYMUDLY-HNNXBMFYSA-N 0 1 265.372 3.718 20 0 CHADMN CCC[C@@H](NCc1cc(C(=O)OC)co1)c1ccccc1 ZINC000135710853 1128722030 /nfs/dbraw/zinc/72/20/30/1128722030.db2.gz IMYHNCCXOJOZJN-MRXNPFEDSA-N 0 1 287.359 3.697 20 0 CHADMN CN(Cc1nnc(C2CC2)o1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000578506827 1128719724 /nfs/dbraw/zinc/71/97/24/1128719724.db2.gz MBACDYUJVSEXCM-CHWSQXEVSA-N 0 1 277.412 3.594 20 0 CHADMN c1cnc2ccc(CN3CCOC4(CCCCC4)C3)cc2c1 ZINC000578893571 1128731775 /nfs/dbraw/zinc/73/17/75/1128731775.db2.gz CXTLUCDSFYBTHA-UHFFFAOYSA-N 0 1 296.414 3.770 20 0 CHADMN C[C@H]1CCC[C@H](C)N1CC(=O)c1c[nH]c2ccccc12 ZINC000034989153 1117755500 /nfs/dbraw/zinc/75/55/00/1117755500.db2.gz AGXBCMKYSIKQMM-STQMWFEESA-N 0 1 270.376 3.614 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CC[C@@H](CC(C)(C)C)C2)c1 ZINC000622673346 1117755839 /nfs/dbraw/zinc/75/58/39/1117755839.db2.gz KZRVWZBKRFWRRV-ZDUSSCGKSA-N 0 1 299.418 3.770 20 0 CHADMN CC(C)OCCCN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000274560461 1117756895 /nfs/dbraw/zinc/75/68/95/1117756895.db2.gz FVIZDPXHUNXSAJ-VIFPVBQESA-N 0 1 296.358 3.628 20 0 CHADMN Oc1cc(F)c(-c2nc(C(F)(F)F)ccc2F)cc1F ZINC001206755024 1117757317 /nfs/dbraw/zinc/75/73/17/1117757317.db2.gz CVAKXYDGXHQSOV-UHFFFAOYSA-N 0 1 293.166 3.890 20 0 CHADMN CCc1cc(C(=O)N2CC[C@H](CC(C)(C)C)C2(C)C)n[nH]1 ZINC000622710223 1117758636 /nfs/dbraw/zinc/75/86/36/1117758636.db2.gz ZAHDZWSEFYYEHO-GFCCVEGCSA-N 0 1 291.439 3.649 20 0 CHADMN CC[C@H](NCc1ccc(C)o1)c1ccc(OC)cc1 ZINC000035012895 1117758929 /nfs/dbraw/zinc/75/89/29/1117758929.db2.gz SZOBWVDDYMEDGU-INIZCTEOSA-N 0 1 259.349 3.838 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cccc(O)c1 ZINC000035015194 1117760696 /nfs/dbraw/zinc/76/06/96/1117760696.db2.gz HZXMPRVUQMBKKK-ZDUSSCGKSA-N 0 1 271.360 3.560 20 0 CHADMN CCN(CC(=O)N(C)C1CC(C)(C)CC(C)(C)C1)C1CC1 ZINC000622749893 1117763960 /nfs/dbraw/zinc/76/39/60/1117763960.db2.gz QNRIBYAALLMMPG-UHFFFAOYSA-N 0 1 294.483 3.534 20 0 CHADMN Cc1nc2c(s1)CN(Cc1ccccc1C1CC1)CC2 ZINC001139882628 1117764786 /nfs/dbraw/zinc/76/47/86/1117764786.db2.gz RLFWOALULCXLSB-UHFFFAOYSA-N 0 1 284.428 3.887 20 0 CHADMN C[C@H](N[C@@H]1CCCSC1)c1nc(C(F)(F)F)cs1 ZINC000274601747 1117767281 /nfs/dbraw/zinc/76/72/81/1117767281.db2.gz LQDLLERXVQZHLH-JGVFFNPUSA-N 0 1 296.383 3.708 20 0 CHADMN C[C@H]1CSCCN(Cc2cscc2Cl)C1 ZINC000683110237 1117771061 /nfs/dbraw/zinc/77/10/61/1117771061.db2.gz ZSPPATPOOQWIJQ-SECBINFHSA-N 0 1 261.843 3.586 20 0 CHADMN Cc1cccn2c(CNCc3coc4ccccc34)cnc12 ZINC000339415904 1117777344 /nfs/dbraw/zinc/77/73/44/1117777344.db2.gz XGHANIWUBSAIJM-UHFFFAOYSA-N 0 1 291.354 3.679 20 0 CHADMN Cc1ccc(C[N@@H+](CCSC(F)(F)F)C2CC2)o1 ZINC001167049517 1117777752 /nfs/dbraw/zinc/77/77/52/1117777752.db2.gz ONTSEWIBBOOEGH-UHFFFAOYSA-N 0 1 279.327 3.805 20 0 CHADMN Cc1ccc(CN(CCSC(F)(F)F)C2CC2)o1 ZINC001167049517 1117777755 /nfs/dbraw/zinc/77/77/55/1117777755.db2.gz ONTSEWIBBOOEGH-UHFFFAOYSA-N 0 1 279.327 3.805 20 0 CHADMN c1ncn2ccc(-c3noc(C4CCC=CCC4)n3)cc12 ZINC000634569564 1117784282 /nfs/dbraw/zinc/78/42/82/1117784282.db2.gz HAIFVEJRJSPXTP-UHFFFAOYSA-N 0 1 280.331 3.598 20 0 CHADMN OCC[C@@H]1CCCCCN1Cc1cc(Cl)ccc1F ZINC000671247166 1117784594 /nfs/dbraw/zinc/78/45/94/1117784594.db2.gz XORRGUCZBCAECM-AWEZNQCLSA-N 0 1 285.790 3.606 20 0 CHADMN COC(=O)c1ccc(CN[C@H](C)c2cc(C)sc2C)o1 ZINC000035276413 1117795494 /nfs/dbraw/zinc/79/54/94/1117795494.db2.gz MSMVBBOFBDKJCE-SNVBAGLBSA-N 0 1 293.388 3.595 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(-n3cccn3)c(F)c2)o1 ZINC000339460657 1117798950 /nfs/dbraw/zinc/79/89/50/1117798950.db2.gz AIKHIDIDRJDGCW-ZDUSSCGKSA-N 0 1 299.349 3.764 20 0 CHADMN Cc1cc(CNCCSc2ccc(Cl)cc2)on1 ZINC000623032727 1117807840 /nfs/dbraw/zinc/80/78/40/1117807840.db2.gz NSTFPSIICFCZHQ-UHFFFAOYSA-N 0 1 282.796 3.518 20 0 CHADMN C[C@H](F)CCNCc1csc(-c2cccs2)n1 ZINC000339494333 1117808125 /nfs/dbraw/zinc/80/81/25/1117808125.db2.gz LGIJFULVHVUNRF-VIFPVBQESA-N 0 1 270.398 3.709 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnc(Cl)c1)c1ccns1 ZINC000858575927 1117810111 /nfs/dbraw/zinc/81/01/11/1117810111.db2.gz GDOPMPDRJGZXEW-DTWKUNHWSA-N 0 1 267.785 3.603 20 0 CHADMN Cn1cc([C@H](NCc2cc(F)cc(F)c2)C(C)(C)C)cn1 ZINC000339501473 1117810352 /nfs/dbraw/zinc/81/03/52/1117810352.db2.gz HZPLDVFECJSDLH-HNNXBMFYSA-N 0 1 293.361 3.575 20 0 CHADMN OCC[C@H](NCc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000339511825 1117814946 /nfs/dbraw/zinc/81/49/46/1117814946.db2.gz YTMKVSFZPLFYTQ-INIZCTEOSA-N 0 1 293.769 3.692 20 0 CHADMN c1cc([C@H]2CCCCN2CCSc2ccccc2)n[nH]1 ZINC000510073036 1117820649 /nfs/dbraw/zinc/82/06/49/1117820649.db2.gz NTBYNRUGQXSSTP-MRXNPFEDSA-N 0 1 287.432 3.729 20 0 CHADMN Cc1cc(Cl)c(Cl)cc1CN1CC[C@](C)(CO)C1 ZINC001238263510 1117839799 /nfs/dbraw/zinc/83/97/99/1117839799.db2.gz PEKPVZHGCIVFDD-AWEZNQCLSA-N 0 1 288.218 3.506 20 0 CHADMN CC(C)c1ncc(CNc2cc3c(cn2)CCC3)s1 ZINC000339557418 1117854471 /nfs/dbraw/zinc/85/44/71/1117854471.db2.gz WRSFWKJQJACKGM-UHFFFAOYSA-N 0 1 273.405 3.762 20 0 CHADMN Cc1c2ccccc2sc1[C@@H](C)NCc1cc[nH]n1 ZINC000041015468 1117855030 /nfs/dbraw/zinc/85/50/30/1117855030.db2.gz NNLKMOOPQYRDHN-LLVKDONJSA-N 0 1 271.389 3.784 20 0 CHADMN C[C@@H](O)CC(C)(C)CNCc1c(F)ccc(F)c1Cl ZINC000623429947 1117856222 /nfs/dbraw/zinc/85/62/22/1117856222.db2.gz WSPCUENRVPSZRP-SECBINFHSA-N 0 1 291.769 3.505 20 0 CHADMN Oc1cc(F)c(-c2cc(OC(F)(F)F)ccn2)cc1F ZINC001206776088 1117880851 /nfs/dbraw/zinc/88/08/51/1117880851.db2.gz ZYVPEYBMQBTECM-UHFFFAOYSA-N 0 1 291.175 3.631 20 0 CHADMN C[C@@H](NCc1ccnc(OC2CCCC2)c1)c1ccoc1 ZINC000177976744 1117884337 /nfs/dbraw/zinc/88/43/37/1117884337.db2.gz HATWDJDOMVTEKY-CYBMUJFWSA-N 0 1 286.375 3.847 20 0 CHADMN CCc1ccc(CNC(=O)c2ccc(O)c(Cl)c2)s1 ZINC000047123742 1117886067 /nfs/dbraw/zinc/88/60/67/1117886067.db2.gz AGMVJNOWNQBDEF-UHFFFAOYSA-N 0 1 295.791 3.600 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)[C@H]1C ZINC000339580545 1117886456 /nfs/dbraw/zinc/88/64/56/1117886456.db2.gz ILPLLHYWZBQCPU-CABCVRRESA-N 0 1 282.387 3.501 20 0 CHADMN C[C@@H]1CN(Cc2cncc(OCc3ccccc3)c2)[C@H]1C ZINC000339580545 1117886461 /nfs/dbraw/zinc/88/64/61/1117886461.db2.gz ILPLLHYWZBQCPU-CABCVRRESA-N 0 1 282.387 3.501 20 0 CHADMN COCc1cnc(CN(C)[C@H]2CCC[C@@H]2C(C)(C)C)s1 ZINC000579215917 1128741839 /nfs/dbraw/zinc/74/18/39/1128741839.db2.gz OXAKFBIJVAAXHC-KBPBESRZSA-N 0 1 296.480 3.936 20 0 CHADMN C[C@H]1C[C@@H](NCc2ncn(-c3ccccc3)n2)CC(C)(C)C1 ZINC000339582743 1117889208 /nfs/dbraw/zinc/88/92/08/1117889208.db2.gz PYZGUOMXVJPVAO-LSDHHAIUSA-N 0 1 298.434 3.572 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccoc2)cc1Cl ZINC000178504882 1117893667 /nfs/dbraw/zinc/89/36/67/1117893667.db2.gz RKCDVSVITXLMAY-JTQLQIEISA-N 0 1 265.740 3.792 20 0 CHADMN CCn1nccc1CN[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000119376767 1117893807 /nfs/dbraw/zinc/89/38/07/1117893807.db2.gz DRUWZBLSICIFFB-CYBMUJFWSA-N 0 1 275.371 3.510 20 0 CHADMN Cc1ccnc(CN(C)Cc2cc(C)ccc2C)c1 ZINC000683224061 1117897777 /nfs/dbraw/zinc/89/77/77/1117897777.db2.gz SAXPNPMVVZKTBU-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN CSCCN(Cc1cccc(C)c1)Cc1ccccn1 ZINC000178974405 1117899692 /nfs/dbraw/zinc/89/96/92/1117899692.db2.gz PSLXLSFMBHUANP-UHFFFAOYSA-N 0 1 286.444 3.755 20 0 CHADMN CC[N@@H+](CCCC1CCCC1)C1CCC(C(=O)[O-])CC1 ZINC000579260357 1128742797 /nfs/dbraw/zinc/74/27/97/1128742797.db2.gz PSCZTSWGINOGGE-UHFFFAOYSA-N 0 1 281.440 3.922 20 0 CHADMN COCCO[C@H]1CCCN([C@H](C)c2cccc(Cl)c2)C1 ZINC000179348746 1117904007 /nfs/dbraw/zinc/90/40/07/1117904007.db2.gz PFUDRGLQFSNGCW-CJNGLKHVSA-N 0 1 297.826 3.528 20 0 CHADMN C[C@@H]1CC[C@@H](CC(=O)Nc2c(=O)[nH][nH]c2-c2ccccc2)C1 ZINC000615283541 1128743120 /nfs/dbraw/zinc/74/31/20/1128743120.db2.gz YEEMEXSUYYSXBC-VXGBXAGGSA-N 0 1 299.374 3.547 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000179548938 1117907804 /nfs/dbraw/zinc/90/78/04/1117907804.db2.gz ADCWDXWGVCTGSG-QWHCGFSZSA-N 0 1 289.423 3.718 20 0 CHADMN C[C@H]1CCC[C@@H]1CC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000615283462 1128743126 /nfs/dbraw/zinc/74/31/26/1128743126.db2.gz VTPJXCGHAFUATQ-WCQYABFASA-N 0 1 299.374 3.547 20 0 CHADMN CCCCN(C(=O)c1cc(CC)[nH]n1)[C@@H]1CCC[C@@H](C)C1 ZINC000579276426 1128743412 /nfs/dbraw/zinc/74/34/12/1128743412.db2.gz NWZKUIWMOKKQJP-UKRRQHHQSA-N 0 1 291.439 3.793 20 0 CHADMN CCCCCC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000041976585 1117916925 /nfs/dbraw/zinc/91/69/25/1117916925.db2.gz VPIDREGTVDVWFI-HNNXBMFYSA-N 0 1 292.423 3.503 20 0 CHADMN C[C@@H](NC[C@@H]1CCC[C@@H](C)C1)c1nc(C(C)(C)C)no1 ZINC000237582589 1128743805 /nfs/dbraw/zinc/74/38/05/1128743805.db2.gz XRHLHHSJEVGWRQ-JHJVBQTASA-N 0 1 279.428 3.844 20 0 CHADMN CCCCCc1ccc(NC(=O)c2cn[nH]c2CC)cc1 ZINC000615306379 1128743946 /nfs/dbraw/zinc/74/39/46/1128743946.db2.gz DOEUPYAUBNBNGQ-UHFFFAOYSA-N 0 1 285.391 3.957 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cnn(C2CCC2)c1 ZINC000921507500 1117923450 /nfs/dbraw/zinc/92/34/50/1117923450.db2.gz LEZDZRMKUVYBAN-AWEZNQCLSA-N 0 1 299.418 3.776 20 0 CHADMN Clc1cccc(-c2nc(-c3ccn4cncc4c3)no2)c1 ZINC000351086096 1117925991 /nfs/dbraw/zinc/92/59/91/1117925991.db2.gz LWECQXLKXVNPLO-UHFFFAOYSA-N 0 1 296.717 3.705 20 0 CHADMN C(CC1CCCC1)c1nnc(SC2CCC2)[nH]1 ZINC000339615711 1117926014 /nfs/dbraw/zinc/92/60/14/1117926014.db2.gz SNRHBNWTOHNIGE-UHFFFAOYSA-N 0 1 251.399 3.572 20 0 CHADMN C(CC1CCCC1)c1n[nH]c(SC2CCC2)n1 ZINC000339615711 1117926017 /nfs/dbraw/zinc/92/60/17/1117926017.db2.gz SNRHBNWTOHNIGE-UHFFFAOYSA-N 0 1 251.399 3.572 20 0 CHADMN C[C@@H](c1nc(C2CC(F)(F)C2)no1)N1[C@H](C)CC[C@@H]1C ZINC000351118922 1117926745 /nfs/dbraw/zinc/92/67/45/1117926745.db2.gz BLPBZZGXNZVFOY-AEJSXWLSSA-N 0 1 285.338 3.516 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1cccc(C2CC2)c1 ZINC001625806797 1117926934 /nfs/dbraw/zinc/92/69/34/1117926934.db2.gz CEXQEUVSNKYLSI-UHFFFAOYSA-N 0 1 277.327 3.693 20 0 CHADMN CN1CCC(=Nc2cc(-c3ccccc3Cl)no2)CC1 ZINC001208741676 1117929952 /nfs/dbraw/zinc/92/99/52/1117929952.db2.gz MQRKGVOSLZSMLQ-UHFFFAOYSA-N 0 1 289.766 3.626 20 0 CHADMN CCOc1ccccc1CN[C@@H](C)c1ccc(Cl)nc1 ZINC000179110669 1117932398 /nfs/dbraw/zinc/93/23/98/1117932398.db2.gz NRJHXZMJOJRCPI-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN C[C@H]1CCN(Cc2cccc3nccn32)[C@H](c2ccco2)C1 ZINC000180565053 1117936492 /nfs/dbraw/zinc/93/64/92/1117936492.db2.gz CVTNFXIJYRRHCK-HOCLYGCPSA-N 0 1 295.386 3.901 20 0 CHADMN Cc1ccc(F)c(-c2nncc3cc(F)ccc32)c1O ZINC001236390258 1128744959 /nfs/dbraw/zinc/74/49/59/1128744959.db2.gz DYGUGTBSLWPRJJ-UHFFFAOYSA-N 0 1 272.254 3.589 20 0 CHADMN CCN(C[C@H](C)O)[C@@H](C)c1cc(Cl)ccc1Cl ZINC000510125207 1117940054 /nfs/dbraw/zinc/94/00/54/1117940054.db2.gz WPUANGXYNTYPBJ-UWVGGRQHSA-N 0 1 276.207 3.757 20 0 CHADMN C[N@@H+]1CC=C(Nc2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC001208859752 1117941414 /nfs/dbraw/zinc/94/14/14/1117941414.db2.gz ZDDOHXLVUXNMFX-UHFFFAOYSA-N 0 1 292.251 3.615 20 0 CHADMN Cc1cnn(C)c1CN[C@@H](C)c1ccccc1C(F)(F)F ZINC000352750075 1117941835 /nfs/dbraw/zinc/94/18/35/1117941835.db2.gz PCURDOKVWJANHW-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN CCCC[N@@H+](Cc1noc(C)n1)[C@@H]1CCC[C@@H](C)C1 ZINC000339649830 1117946391 /nfs/dbraw/zinc/94/63/91/1117946391.db2.gz VENZMHTZZJOZCX-TZMCWYRMSA-N 0 1 265.401 3.559 20 0 CHADMN CCCCN(Cc1noc(C)n1)[C@@H]1CCC[C@@H](C)C1 ZINC000339649830 1117946393 /nfs/dbraw/zinc/94/63/93/1117946393.db2.gz VENZMHTZZJOZCX-TZMCWYRMSA-N 0 1 265.401 3.559 20 0 CHADMN CCCC[N@@H+](Cc1nnc(C)o1)[C@H]1CCC[C@H](C)C1 ZINC000339649288 1117946955 /nfs/dbraw/zinc/94/69/55/1117946955.db2.gz UEITYMJJWXDLKO-JSGCOSHPSA-N 0 1 265.401 3.559 20 0 CHADMN CCC(CC)c1cc(CN[C@H](C)[C@H]2CCCCO2)on1 ZINC000623899886 1117951329 /nfs/dbraw/zinc/95/13/29/1117951329.db2.gz WLIFGAFLAGCWOP-MLGOLLRUSA-N 0 1 280.412 3.625 20 0 CHADMN FC[C@H]1CCCN1Cc1ccc(OC(F)(F)F)cc1 ZINC000339667192 1117951524 /nfs/dbraw/zinc/95/15/24/1117951524.db2.gz AESKAFZXLFPCCX-LLVKDONJSA-N 0 1 277.261 3.519 20 0 CHADMN FC(F)(F)c1cccnc1CN1CC[C@@H](CC2CC2)C1 ZINC000339681358 1117952409 /nfs/dbraw/zinc/95/24/09/1117952409.db2.gz RZWCAJADSHGWDS-LBPRGKRZSA-N 0 1 284.325 3.722 20 0 CHADMN c1sc(-c2ccccn2)nc1CN1CC[C@@H](CC2CC2)C1 ZINC000339674665 1117952428 /nfs/dbraw/zinc/95/24/28/1117952428.db2.gz BNXAGSFGHLIWJG-AWEZNQCLSA-N 0 1 299.443 3.827 20 0 CHADMN c1coc(-c2cc(CN3CC[C@H](CC4CC4)C3)no2)c1 ZINC000339675659 1117952625 /nfs/dbraw/zinc/95/26/25/1117952625.db2.gz FWUGFIGZHDXCBB-CYBMUJFWSA-N 0 1 272.348 3.557 20 0 CHADMN Cc1[nH]ncc1CCCNC(=O)CCC1CCCCCC1 ZINC000655390749 1117955494 /nfs/dbraw/zinc/95/54/94/1117955494.db2.gz KLUBRRKITVPMLI-UHFFFAOYSA-N 0 1 291.439 3.518 20 0 CHADMN C[C@@H](CN1CCSc2ccccc2C1)C(F)(F)F ZINC001208901947 1117959772 /nfs/dbraw/zinc/95/97/72/1117959772.db2.gz OQEIHIKNSXVQNG-JTQLQIEISA-N 0 1 275.339 3.793 20 0 CHADMN CC1=C[C@H](C)CN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000430269273 1117966948 /nfs/dbraw/zinc/96/69/48/1117966948.db2.gz QETZHBVRUBQBIN-ZDUSSCGKSA-N 0 1 268.360 3.740 20 0 CHADMN CC(C)C[C@@H]1C[C@H]1N[C@@H]1CCCc2scnc21 ZINC000623998927 1117968160 /nfs/dbraw/zinc/96/81/60/1117968160.db2.gz FVDRHMZGMGXVGO-IJLUTSLNSA-N 0 1 250.411 3.545 20 0 CHADMN c1nc2c(s1)CCC[C@H]2NC[C@@H]1CCC2(CCCC2)O1 ZINC000624010029 1117969745 /nfs/dbraw/zinc/96/97/45/1117969745.db2.gz GIUUXMQITZYUHE-QWHCGFSZSA-N 0 1 292.448 3.602 20 0 CHADMN CO[C@@H](CN[C@H]1CCCc2scnc21)C1CCCCC1 ZINC000624016500 1117971039 /nfs/dbraw/zinc/97/10/39/1117971039.db2.gz YNKLVXDPUKGEDY-KBPBESRZSA-N 0 1 294.464 3.705 20 0 CHADMN C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](O)CC1 ZINC000339787458 1117974383 /nfs/dbraw/zinc/97/43/83/1117974383.db2.gz ORGHYDQRAVAKGX-ZYHUDNBSSA-N 0 1 288.218 3.901 20 0 CHADMN Cc1ccccc1[C@H](C)NCc1c(C(F)(F)F)cnn1C ZINC000624052146 1117977418 /nfs/dbraw/zinc/97/74/18/1117977418.db2.gz YZYDCKCKROJPHU-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN CC[C@H](c1cccc(OC)c1)N(C)Cc1c(C)noc1C ZINC000274976184 1117978369 /nfs/dbraw/zinc/97/83/69/1117978369.db2.gz AVGASXUKALBCQT-QGZVFWFLSA-N 0 1 288.391 3.883 20 0 CHADMN Cc1cc([C@@H](C)NC(=O)c2ccc3cncn3c2)c(C)s1 ZINC000339850863 1117987635 /nfs/dbraw/zinc/98/76/35/1117987635.db2.gz TWDXKXWSZVNMNE-LLVKDONJSA-N 0 1 299.399 3.504 20 0 CHADMN CCCCc1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1 ZINC000037287234 1117988221 /nfs/dbraw/zinc/98/82/21/1117988221.db2.gz MAXVEBXIFHMHOZ-KRWDZBQOSA-N 0 1 282.387 3.668 20 0 CHADMN C[N@@H+](Cc1cccc(F)c1)Cc1cccc(Cl)c1[O-] ZINC000179561002 1128748202 /nfs/dbraw/zinc/74/82/02/1128748202.db2.gz XVPGINZYMCCOCS-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN CC1=C[C@H](C)CN([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000430284283 1117993649 /nfs/dbraw/zinc/99/36/49/1117993649.db2.gz LJGCFTFYBPEGIL-JQWIXIFHSA-N 0 1 251.320 3.924 20 0 CHADMN CC[C@@H](C)[C@@H](CNCc1c(F)ccc(F)c1Cl)OC ZINC000705551456 1117997625 /nfs/dbraw/zinc/99/76/25/1117997625.db2.gz FGTISKCCRLHIHH-NOZJJQNGSA-N 0 1 291.769 3.769 20 0 CHADMN Fc1cc(F)cc(CCN2CCC(OC3CCC3)CC2)c1 ZINC001209128780 1118001154 /nfs/dbraw/zinc/00/11/54/1118001154.db2.gz QTVUCCGCMGJHBL-UHFFFAOYSA-N 0 1 295.373 3.541 20 0 CHADMN Cc1cncc(CN[C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000181840605 1118007929 /nfs/dbraw/zinc/00/79/29/1118007929.db2.gz MPTDXOPDLBMJOB-MRXNPFEDSA-N 0 1 286.350 3.533 20 0 CHADMN Cc1cncc(CN[C@H]2CCCOc3ccc(F)cc32)c1 ZINC000181840626 1118008430 /nfs/dbraw/zinc/00/84/30/1118008430.db2.gz MPTDXOPDLBMJOB-INIZCTEOSA-N 0 1 286.350 3.533 20 0 CHADMN OCCN[C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000181887910 1118009479 /nfs/dbraw/zinc/00/94/79/1118009479.db2.gz MWRZZIJQOINAED-OAHLLOKOSA-N 0 1 296.197 3.665 20 0 CHADMN CC(C)CCOCCN(C)[C@H](C)c1ccccc1F ZINC000615456407 1128749699 /nfs/dbraw/zinc/74/96/99/1128749699.db2.gz IUFXPFXDKXCUIH-CQSZACIVSA-N 0 1 267.388 3.881 20 0 CHADMN CC[C@H](NCc1csc(CCC(C)C)n1)[C@@H]1CCCO1 ZINC000182347157 1118020514 /nfs/dbraw/zinc/02/05/14/1118020514.db2.gz IYDRULAJCHSGPK-GJZGRUSLSA-N 0 1 296.480 3.779 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2ccc(F)nc2)cc1 ZINC000779147560 1128750808 /nfs/dbraw/zinc/75/08/08/1128750808.db2.gz BEBWBFYXAQZBRF-INIZCTEOSA-N 0 1 270.351 3.866 20 0 CHADMN COC[C@@H](C)CNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000443682335 1118028820 /nfs/dbraw/zinc/02/88/20/1118028820.db2.gz OFEGLFAUMXQZLS-JTQLQIEISA-N 0 1 298.308 3.948 20 0 CHADMN Cc1cc([C@H](C)NCC(=O)NCCC(C)(C)C)c(C)s1 ZINC000182744464 1118028884 /nfs/dbraw/zinc/02/88/84/1118028884.db2.gz ULFDYPIUIOVZHA-LBPRGKRZSA-N 0 1 296.480 3.568 20 0 CHADMN CC[C@@](C)(O)CNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000443673667 1118029302 /nfs/dbraw/zinc/02/93/02/1118029302.db2.gz JKOSIIFDEIPVPL-CQSZACIVSA-N 0 1 298.308 3.827 20 0 CHADMN C[C@@H]1CC(CN2Cc3ccc(Cl)cc3C2)C[C@@H](C)O1 ZINC001209397547 1118035701 /nfs/dbraw/zinc/03/57/01/1118035701.db2.gz LAVFIZNOVLYITQ-VXGBXAGGSA-N 0 1 279.811 3.859 20 0 CHADMN CC(C)c1cnc(CN(C)[C@@H](C)C2(C)CC2)s1 ZINC000183122911 1118038475 /nfs/dbraw/zinc/03/84/75/1118038475.db2.gz BKULXMZSDYSMAX-NSHDSACASA-N 0 1 252.427 3.887 20 0 CHADMN CC[C@H](Sc1c[nH]nn1)c1ccc(Br)cc1 ZINC000471259001 1118039932 /nfs/dbraw/zinc/03/99/32/1118039932.db2.gz TVZGJTHQACJYEH-JTQLQIEISA-N 0 1 298.209 3.811 20 0 CHADMN Nc1ccc(-c2nc3ccc(F)cc3[nH]2)c(Cl)c1 ZINC000042417656 1118042096 /nfs/dbraw/zinc/04/20/96/1118042096.db2.gz TZYFVRVDFYMPTJ-UHFFFAOYSA-N 0 1 261.687 3.605 20 0 CHADMN Fc1ccc(CN(Cc2cccc3nccn32)C2CC2)cc1 ZINC000183376509 1118044121 /nfs/dbraw/zinc/04/41/21/1118044121.db2.gz XEHXELSCZOYQOI-UHFFFAOYSA-N 0 1 295.361 3.638 20 0 CHADMN COC[C@H](NCc1csc(C2CCCCC2)n1)C1CC1 ZINC000183429347 1118045190 /nfs/dbraw/zinc/04/51/90/1118045190.db2.gz MFCHWYQOEKGNAL-HNNXBMFYSA-N 0 1 294.464 3.705 20 0 CHADMN Cc1cnc(C(C)(C)NCCOc2cccc(C)c2)s1 ZINC000183962529 1118050073 /nfs/dbraw/zinc/05/00/73/1118050073.db2.gz VIZWSBGKYYYDHC-UHFFFAOYSA-N 0 1 290.432 3.664 20 0 CHADMN CC(C)COC[C@@H](N[C@H]1C=CCCC1)c1ccco1 ZINC000184171245 1118052408 /nfs/dbraw/zinc/05/24/08/1118052408.db2.gz YHIAWEICGGFVMN-LSDHHAIUSA-N 0 1 263.381 3.692 20 0 CHADMN CC[C@@H](NCCOCCC(C)C)c1nc(C)cs1 ZINC000184341707 1118053862 /nfs/dbraw/zinc/05/38/62/1118053862.db2.gz AVXWGUFLVCTQJI-CYBMUJFWSA-N 0 1 270.442 3.555 20 0 CHADMN CC[C@@H](NCCOc1cccc(C)c1)c1nc(C)cs1 ZINC000184401904 1118054339 /nfs/dbraw/zinc/05/43/39/1118054339.db2.gz RUORYNAIUUYMCW-OAHLLOKOSA-N 0 1 290.432 3.880 20 0 CHADMN C[C@@H](NCCOC(C)(C)C)c1nc(C(C)(C)C)cs1 ZINC000184458884 1118054538 /nfs/dbraw/zinc/05/45/38/1118054538.db2.gz UFQXJARYWVECPH-LLVKDONJSA-N 0 1 284.469 3.906 20 0 CHADMN CCc1nc([C@H](C)NCCCOc2ccccc2)cs1 ZINC000184693411 1118056703 /nfs/dbraw/zinc/05/67/03/1118056703.db2.gz OPSSAHWVUSLZCM-ZDUSSCGKSA-N 0 1 290.432 3.825 20 0 CHADMN C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccc(F)cc2)C1 ZINC000184896610 1118057868 /nfs/dbraw/zinc/05/78/68/1118057868.db2.gz ADXQGMXBKXHSOR-CXAGYDPISA-N 0 1 270.351 3.804 20 0 CHADMN CCC[C@@H](NCc1cc(F)cc(F)c1)c1cccnc1 ZINC000184931678 1118057906 /nfs/dbraw/zinc/05/79/06/1118057906.db2.gz CFGAEWGWJNVHJN-MRXNPFEDSA-N 0 1 276.330 3.991 20 0 CHADMN Fc1cccc(CNCc2ccc(F)c(Cl)c2)c1 ZINC000053150188 1118061879 /nfs/dbraw/zinc/06/18/79/1118061879.db2.gz JNFRPTDRTZNFMT-UHFFFAOYSA-N 0 1 267.706 3.908 20 0 CHADMN Cc1cnc([C@@H](NCCOc2ccccc2)C2CC2)s1 ZINC000185341339 1118061925 /nfs/dbraw/zinc/06/19/25/1118061925.db2.gz VIIGLUWFCSVKAV-HNNXBMFYSA-N 0 1 288.416 3.571 20 0 CHADMN Clc1ccccc1CN[C@H](c1cccnc1)C1CC1 ZINC000340101852 1118063393 /nfs/dbraw/zinc/06/33/93/1118063393.db2.gz BVBWWMFXPNEOMY-INIZCTEOSA-N 0 1 272.779 3.976 20 0 CHADMN CCOc1ccc(C(C)=O)cc1C[N@H+]1C[C@@H](C)CC1(C)C ZINC000380362194 1118068161 /nfs/dbraw/zinc/06/81/61/1118068161.db2.gz CIPWENMCDKICPV-ZDUSSCGKSA-N 0 1 289.419 3.908 20 0 CHADMN Cc1cc(OC(C)C)cc(C)c1CN1CC[C@@H](F)C1 ZINC001238669047 1118069443 /nfs/dbraw/zinc/06/94/43/1118069443.db2.gz ZWEFRPDKUUZYLD-CQSZACIVSA-N 0 1 265.372 3.634 20 0 CHADMN CCN(C(=O)c1cc(C)cc2c[nH]nc21)[C@@H]1CCCC[C@H]1C ZINC000340134378 1118078822 /nfs/dbraw/zinc/07/88/22/1118078822.db2.gz ZCRCHEWRSPKVMD-CZUORRHYSA-N 0 1 299.418 3.912 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(Br)cc2)[nH]1 ZINC001209573427 1118080077 /nfs/dbraw/zinc/08/00/77/1118080077.db2.gz UETQJKDGSIKPCF-UHFFFAOYSA-N 0 1 293.208 3.718 20 0 CHADMN Cc1nc2c(n1Cc1ccc(Cl)c(F)c1)CCCC2 ZINC000235933261 1118083639 /nfs/dbraw/zinc/08/36/39/1118083639.db2.gz JBLNTULKGKIHNC-UHFFFAOYSA-N 0 1 278.758 3.911 20 0 CHADMN CCCc1noc(CN2C[C@H](c3ccccc3C)C[C@H]2C)n1 ZINC000247111026 1118090581 /nfs/dbraw/zinc/09/05/81/1118090581.db2.gz PBVFXUJSTJFHNC-HUUCEWRRSA-N 0 1 299.418 3.709 20 0 CHADMN CCCN(CC)Cc1ccc(C)cc1Br ZINC001137802653 1118139277 /nfs/dbraw/zinc/13/92/77/1118139277.db2.gz FHNKERLLHRAAKY-UHFFFAOYSA-N 0 1 270.214 3.989 20 0 CHADMN CCOCc1ccc(CN[C@H](C)c2ccncc2F)cc1 ZINC000340173163 1118096658 /nfs/dbraw/zinc/09/66/58/1118096658.db2.gz PAJRZDBLQMOURN-CYBMUJFWSA-N 0 1 288.366 3.608 20 0 CHADMN Cc1cccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000187638280 1128755643 /nfs/dbraw/zinc/75/56/43/1128755643.db2.gz KOFVDMOTWGCLAO-UHFFFAOYSA-N 0 1 290.750 3.846 20 0 CHADMN CC(C)CC(CC(C)C)N[C@@H](C)c1csnn1 ZINC000398241465 1118105261 /nfs/dbraw/zinc/10/52/61/1118105261.db2.gz PDRVLMVEOPZGAY-NSHDSACASA-N 0 1 255.431 3.650 20 0 CHADMN CN(Cc1ccco1)Cc1ccc(F)c2cccnc12 ZINC000042122164 1118103118 /nfs/dbraw/zinc/10/31/18/1118103118.db2.gz MSTBWYMBMLAHFT-UHFFFAOYSA-N 0 1 270.307 3.599 20 0 CHADMN O[C@H](CN(Cc1ccccc1)Cc1ccccc1F)C1CC1 ZINC001167227103 1118107439 /nfs/dbraw/zinc/10/74/39/1118107439.db2.gz GQVFZVBCAFGNCC-LJQANCHMSA-N 0 1 299.389 3.599 20 0 CHADMN C[C@@H](N[C@@H]1CCc2c1cc(F)cc2F)c1cccnc1 ZINC000120956693 1118108387 /nfs/dbraw/zinc/10/83/87/1118108387.db2.gz TZYUOKIBNGUEQU-QLJPJBMISA-N 0 1 274.314 3.698 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1cccnc1C(F)(F)F ZINC000528561759 1118111097 /nfs/dbraw/zinc/11/10/97/1118111097.db2.gz SFYGGAPPNNUIAY-VGPLMAKISA-N 0 1 284.325 3.863 20 0 CHADMN CC(C)c1ccc(NC(=O)[C@H]2NCCc3ccccc32)cc1 ZINC000236739216 1118114711 /nfs/dbraw/zinc/11/47/11/1118114711.db2.gz ZIYYZKXWAKNMSP-SFHVURJKSA-N 0 1 294.398 3.636 20 0 CHADMN C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cc(Cl)ccc1[O-] ZINC000187841947 1128757129 /nfs/dbraw/zinc/75/71/29/1128757129.db2.gz ZPHWYIDNVAWRIM-PWSUYJOCSA-N 0 1 283.799 3.654 20 0 CHADMN C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cc(Cl)ccc1[O-] ZINC000187841920 1128757152 /nfs/dbraw/zinc/75/71/52/1128757152.db2.gz ZPHWYIDNVAWRIM-JQWIXIFHSA-N 0 1 283.799 3.654 20 0 CHADMN Cc1ccc(OC(C)C)cc1Nc1cnc(N)cc1C ZINC001209968834 1118122357 /nfs/dbraw/zinc/12/23/57/1118122357.db2.gz FSFGRNVIAOSHAO-UHFFFAOYSA-N 0 1 271.364 3.811 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc2c(cnn2C(C)C)c1 ZINC001209971251 1118123609 /nfs/dbraw/zinc/12/36/09/1118123609.db2.gz VJQJVWHCMOXEHG-UHFFFAOYSA-N 0 1 281.363 3.646 20 0 CHADMN CC(=O)c1cc(Cl)c(F)cc1Nc1cnc(N)cc1C ZINC001209971252 1118124053 /nfs/dbraw/zinc/12/40/53/1118124053.db2.gz VMPGHESVYAJLBD-UHFFFAOYSA-N 0 1 293.729 3.711 20 0 CHADMN C[C@H]1C[N@@H+](CC2(C)CCC2)[C@@H](c2ccccc2)CO1 ZINC000340285715 1118132173 /nfs/dbraw/zinc/13/21/73/1118132173.db2.gz QZXQPYJHGVIGEN-GOEBONIOSA-N 0 1 259.393 3.639 20 0 CHADMN C[C@H]1C[N@@H+](CC2(C)CCC2)C[C@H](c2ccsc2)O1 ZINC000340288068 1118132292 /nfs/dbraw/zinc/13/22/92/1118132292.db2.gz LLMAZJXMUOWFIC-GXTWGEPZSA-N 0 1 265.422 3.700 20 0 CHADMN C[C@H]1CN(CC2(C)CCC2)C[C@H](c2ccsc2)O1 ZINC000340288068 1118132294 /nfs/dbraw/zinc/13/22/94/1118132294.db2.gz LLMAZJXMUOWFIC-GXTWGEPZSA-N 0 1 265.422 3.700 20 0 CHADMN CN(CCC1CCCCC1)Cc1nc2ccccc2n1C ZINC001167274156 1118138067 /nfs/dbraw/zinc/13/80/67/1118138067.db2.gz ZRECSXYKGXTMGQ-UHFFFAOYSA-N 0 1 285.435 3.976 20 0 CHADMN CC[N@@H+](Cc1c2ccccc2sc1C(=O)[O-])C(C)C ZINC000037082495 1118148090 /nfs/dbraw/zinc/14/80/90/1118148090.db2.gz APBGZCZSXMECNK-UHFFFAOYSA-N 0 1 277.389 3.830 20 0 CHADMN Cc1cccc([C@@H](N[C@@H](C)c2ncc[nH]2)C(C)C)c1 ZINC000528007719 1118151325 /nfs/dbraw/zinc/15/13/25/1118151325.db2.gz DLOWVTYWNJLNQV-ZFWWWQNUSA-N 0 1 257.381 3.766 20 0 CHADMN Cc1cccc([C@@H](N[C@H](C)c2ncc[nH]2)C(C)C)c1 ZINC000528007712 1118151476 /nfs/dbraw/zinc/15/14/76/1118151476.db2.gz DLOWVTYWNJLNQV-HIFRSBDPSA-N 0 1 257.381 3.766 20 0 CHADMN C[N@@H+](Cc1ccsc1C(=O)[O-])C1CCC(C)(C)CC1 ZINC000094860042 1118152493 /nfs/dbraw/zinc/15/24/93/1118152493.db2.gz SMKRZAMXJVYPOS-UHFFFAOYSA-N 0 1 281.421 3.847 20 0 CHADMN Cc1oc2ccccc2c1CNCc1cccc(C)n1 ZINC000121280412 1118154621 /nfs/dbraw/zinc/15/46/21/1118154621.db2.gz PBVPXLNISWCZQZ-UHFFFAOYSA-N 0 1 266.344 3.734 20 0 CHADMN CC[C@@H](NCc1ccnn1C1CCC1)c1ccccc1OC ZINC000921525124 1118157576 /nfs/dbraw/zinc/15/75/76/1118157576.db2.gz OFOQAPCQHCDPBH-QGZVFWFLSA-N 0 1 299.418 3.858 20 0 CHADMN Brc1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)nc1 ZINC000134540183 1118158130 /nfs/dbraw/zinc/15/81/30/1118158130.db2.gz IWTXKXUHQFILSJ-FZMZJTMJSA-N 0 1 295.224 3.609 20 0 CHADMN Brc1ccc(CN2CC[C@@H]3CCCC[C@@H]32)nc1 ZINC000134540183 1118158134 /nfs/dbraw/zinc/15/81/34/1118158134.db2.gz IWTXKXUHQFILSJ-FZMZJTMJSA-N 0 1 295.224 3.609 20 0 CHADMN O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCCC1 ZINC000016445154 1118168360 /nfs/dbraw/zinc/16/83/60/1118168360.db2.gz ADPKGIMUNZBVFD-QGZVFWFLSA-N 0 1 298.361 3.601 20 0 CHADMN Cc1cc(F)cc([C@@]2(F)CCN(CCC[C@@H]3CCO3)C2)c1 ZINC000639139408 1118175743 /nfs/dbraw/zinc/17/57/43/1118175743.db2.gz NECSXAJFPUVRNB-IAGOWNOFSA-N 0 1 295.373 3.574 20 0 CHADMN O=c1nc([C@H]2CCCC(F)(F)C2)[nH]c2ccsc21 ZINC000286943345 1118175834 /nfs/dbraw/zinc/17/58/34/1118175834.db2.gz AEDVEACABINVQR-ZETCQYMHSA-N 0 1 270.304 3.690 20 0 CHADMN CCOc1ncccc1CN[C@@H]1CCc2cc(C)cc(C)c21 ZINC000655687198 1118183314 /nfs/dbraw/zinc/18/33/14/1118183314.db2.gz LZZZGVFZZFUBPF-QGZVFWFLSA-N 0 1 296.414 3.874 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc([C@@H]2CCc3ccccc32)no1 ZINC000386690641 1118184708 /nfs/dbraw/zinc/18/47/08/1118184708.db2.gz RQDJMNZESJEKMW-CABCVRRESA-N 0 1 299.418 3.844 20 0 CHADMN Cc1csc(CN[C@@H]2CCc3cc(C)cc(C)c32)n1 ZINC000655685555 1118184910 /nfs/dbraw/zinc/18/49/10/1118184910.db2.gz HWKPGGLEEYGKCB-CQSZACIVSA-N 0 1 272.417 3.845 20 0 CHADMN CC[C@H](N[C@@H]1CCCn2ccnc21)c1ccc(C)cc1 ZINC000655694100 1118186799 /nfs/dbraw/zinc/18/67/99/1118186799.db2.gz ZLUCTDDNVRCMKQ-JKSUJKDBSA-N 0 1 269.392 3.767 20 0 CHADMN CC(C)[C@@H](N[C@@H]1CCCn2ccnc21)c1ccccc1 ZINC000655695374 1118186851 /nfs/dbraw/zinc/18/68/51/1118186851.db2.gz KPFMXVGWRUWKCW-HZPDHXFCSA-N 0 1 269.392 3.705 20 0 CHADMN Cc1ccccc1[C@@H](N[C@@H]1CCCn2ccnc21)C1CC1 ZINC000655711611 1118190238 /nfs/dbraw/zinc/19/02/38/1118190238.db2.gz JRRSXHUOLCHNGZ-SJORKVTESA-N 0 1 281.403 3.767 20 0 CHADMN Cc1cc2c(c(C)c1)[C@H](NCc1nccn1CC(C)C)CC2 ZINC000655715221 1118192337 /nfs/dbraw/zinc/19/23/37/1118192337.db2.gz HQVWTMUOKQTJEJ-QGZVFWFLSA-N 0 1 297.446 3.933 20 0 CHADMN Cc1ncncc1[C@H](C)NC1(c2ccc(F)cc2)CCC1 ZINC000655741305 1118199089 /nfs/dbraw/zinc/19/90/89/1118199089.db2.gz HDUPCGOOUODKSD-ZDUSSCGKSA-N 0 1 285.366 3.654 20 0 CHADMN Cc1cc2c(c(C)c1)[C@@H](N[C@@H](CCO)c1ccco1)CC2 ZINC000655756647 1118203823 /nfs/dbraw/zinc/20/38/23/1118203823.db2.gz IKFHWTSMIVSGNI-HOTGVXAUSA-N 0 1 285.387 3.597 20 0 CHADMN C[C@@H](N=c1ccc2ccccc2[nH]1)c1nc2c(s1)CCC2 ZINC000413389119 1118212829 /nfs/dbraw/zinc/21/28/29/1118212829.db2.gz AMQPTJJOEVYWEQ-LLVKDONJSA-N 0 1 295.411 3.775 20 0 CHADMN C[C@@H]1CC[C@@H](Nc2ccc3cnccc3c2)CS1 ZINC000655793111 1118214760 /nfs/dbraw/zinc/21/47/60/1118214760.db2.gz TVEFEDHNBWQPQM-IAQYHMDHSA-N 0 1 258.390 3.931 20 0 CHADMN COc1c(C)cccc1CN[C@@H]1CCCc2occc21 ZINC000655810713 1118218286 /nfs/dbraw/zinc/21/82/86/1118218286.db2.gz FYRKXMNVWRJXMS-OAHLLOKOSA-N 0 1 271.360 3.764 20 0 CHADMN CC[C@@H](NCc1ccnn1CC(C)C)c1ccccc1F ZINC000655806422 1118218380 /nfs/dbraw/zinc/21/83/80/1118218380.db2.gz VDMSZLSWRIZEPX-QGZVFWFLSA-N 0 1 289.398 3.919 20 0 CHADMN CCc1ccc(CNCc2cnn(CC3CCC3)c2)cc1 ZINC000921619080 1118219539 /nfs/dbraw/zinc/21/95/39/1118219539.db2.gz ANVFLGOEAHYIML-UHFFFAOYSA-N 0 1 283.419 3.535 20 0 CHADMN COc1cccc([C@H](C)NCc2cccc(C)c2OC)c1 ZINC000655810892 1118220473 /nfs/dbraw/zinc/22/04/73/1118220473.db2.gz ONWHGVPCHVXDGS-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN CC[C@H](NCc1cccc(C)c1OC)c1ccncc1 ZINC000655813087 1118221544 /nfs/dbraw/zinc/22/15/44/1118221544.db2.gz VJZHBANDKBWOLR-INIZCTEOSA-N 0 1 270.376 3.640 20 0 CHADMN COc1c(C)cccc1CN[C@H](C)c1ccccc1N(C)C ZINC000655813453 1118221876 /nfs/dbraw/zinc/22/18/76/1118221876.db2.gz YBJMDWDECWNATR-OAHLLOKOSA-N 0 1 298.430 3.920 20 0 CHADMN CCn1nc(-c2nc3ccc(F)cc3[nH]2)c2ccccc21 ZINC000471434064 1118224272 /nfs/dbraw/zinc/22/42/72/1118224272.db2.gz BWJYGIBQNNINEI-UHFFFAOYSA-N 0 1 280.306 3.739 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1cn2ccsc2n1 ZINC000185870749 1118227874 /nfs/dbraw/zinc/22/78/74/1118227874.db2.gz UHTJIWKBJDQTCM-CYBMUJFWSA-N 0 1 263.410 3.550 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CCC[C@@H]1c1ccccc1 ZINC000039559321 1118229124 /nfs/dbraw/zinc/22/91/24/1118229124.db2.gz VAJKPZSDKPZIKK-MRXNPFEDSA-N 0 1 291.354 3.540 20 0 CHADMN COc1ccc([C@@H](C)NCc2cnn(CC3CCC3)c2)cc1 ZINC000921621737 1118229211 /nfs/dbraw/zinc/22/92/11/1118229211.db2.gz NPBZXTNLXWBSNV-CQSZACIVSA-N 0 1 299.418 3.543 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N1CCC[C@@H]1c1ccccc1 ZINC000042025440 1118232845 /nfs/dbraw/zinc/23/28/45/1118232845.db2.gz BQAMLMYYOIQTFQ-QGZVFWFLSA-N 0 1 291.354 3.540 20 0 CHADMN C[C@@H](Cc1ccccn1)NCc1csc(C(C)(C)C)n1 ZINC000655842380 1118235202 /nfs/dbraw/zinc/23/52/02/1118235202.db2.gz AWMBSMMRNQCDHG-LBPRGKRZSA-N 0 1 289.448 3.556 20 0 CHADMN C[C@H]1Cc2ccccc2[C@@H]1NCc1noc2ccccc21 ZINC000655854501 1118243381 /nfs/dbraw/zinc/24/33/81/1118243381.db2.gz DNVGAXOICOGWIP-KPZWWZAWSA-N 0 1 278.355 3.851 20 0 CHADMN CCCCC(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615814130 1128765022 /nfs/dbraw/zinc/76/50/22/1128765022.db2.gz SLWFELUQDOECHT-SNVBAGLBSA-N 0 1 293.798 3.926 20 0 CHADMN C=Cc1ccc(CNc2cc(O[C@@H]3CCOC3)ccn2)cc1 ZINC001168576260 1118249085 /nfs/dbraw/zinc/24/90/85/1118249085.db2.gz YJIODSVTTRMAHB-QGZVFWFLSA-N 0 1 296.370 3.504 20 0 CHADMN C[C@H](F)CCN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000340466583 1118272402 /nfs/dbraw/zinc/27/24/02/1118272402.db2.gz ZZSHKJCAKUWIGC-BQBZGAKWSA-N 0 1 270.295 3.561 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc3c(c2)CCC3)o1 ZINC000070498568 1118269261 /nfs/dbraw/zinc/26/92/61/1118269261.db2.gz CUHCBMFUMOVDCY-ZDUSSCGKSA-N 0 1 255.361 3.928 20 0 CHADMN Fc1ccccc1-c1ncc(CNCc2ccoc2)s1 ZINC001648893334 1118272134 /nfs/dbraw/zinc/27/21/34/1118272134.db2.gz WUHILKVKUOEFDY-UHFFFAOYSA-N 0 1 288.347 3.832 20 0 CHADMN CCCCN(C)Cc1cc(C(C)=O)ccc1OCC ZINC000037386209 1118274296 /nfs/dbraw/zinc/27/42/96/1118274296.db2.gz BVJNOEQPBPYVEI-UHFFFAOYSA-N 0 1 263.381 3.520 20 0 CHADMN Fc1ccc(CN[C@H]2CCSc3ccccc32)cn1 ZINC000188967140 1128766914 /nfs/dbraw/zinc/76/69/14/1128766914.db2.gz LWBWLTPDPHBUGY-ZDUSSCGKSA-N 0 1 274.364 3.547 20 0 CHADMN CC(C)(C)c1nc(CNCCc2ccc(F)cc2)cs1 ZINC000077169453 1118283392 /nfs/dbraw/zinc/28/33/92/1118283392.db2.gz NGPLZNYMDNHMIO-UHFFFAOYSA-N 0 1 292.423 3.912 20 0 CHADMN CC(C)c1noc(CN2CCC[C@H]2CC(C)(C)C)n1 ZINC000057863339 1118285269 /nfs/dbraw/zinc/28/52/69/1118285269.db2.gz JVOWTXAKESWZBX-LBPRGKRZSA-N 0 1 265.401 3.594 20 0 CHADMN CC[C@@H](F)CN[C@H](C)c1ccc(Br)cc1F ZINC000309450224 1118287888 /nfs/dbraw/zinc/28/78/88/1118287888.db2.gz KVSJDTIWCAQGKF-PSASIEDQSA-N 0 1 292.167 3.987 20 0 CHADMN Fc1ccccc1-c1n[nH]c(SCCc2ccccc2)n1 ZINC000039572160 1118290050 /nfs/dbraw/zinc/29/00/50/1118290050.db2.gz GARSPJSEHKCICW-UHFFFAOYSA-N 0 1 299.374 3.946 20 0 CHADMN CC[C@@H](NC[C@@H]1CCC2(CCCC2)O1)c1nccs1 ZINC000229292751 1118292451 /nfs/dbraw/zinc/29/24/51/1118292451.db2.gz ORRLGUJHHYCFJF-QWHCGFSZSA-N 0 1 280.437 3.676 20 0 CHADMN CC[C@@H](NC[C@H]1CCC2(CCCC2)O1)c1nccs1 ZINC000229292771 1118293771 /nfs/dbraw/zinc/29/37/71/1118293771.db2.gz ORRLGUJHHYCFJF-CHWSQXEVSA-N 0 1 280.437 3.676 20 0 CHADMN COc1cc(CN[C@@H]2COc3ccc(C)cc32)ccc1C ZINC000683706372 1118297913 /nfs/dbraw/zinc/29/79/13/1118297913.db2.gz UMNZLGOKNKVFLF-MRXNPFEDSA-N 0 1 283.371 3.535 20 0 CHADMN COc1ccc(CN(C)Cc2sccc2C)cc1F ZINC000061798590 1118309165 /nfs/dbraw/zinc/30/91/65/1118309165.db2.gz YBGUBQPLUAVXJK-UHFFFAOYSA-N 0 1 279.380 3.836 20 0 CHADMN Cc1ccc(F)c(CN(C)Cc2[nH]nc3ccccc32)c1 ZINC000683721664 1118309539 /nfs/dbraw/zinc/30/95/39/1118309539.db2.gz JTIMPIJEZHWZQX-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN c1ccc2c(c1)COC[C@@H]2NCc1ccc2ncccc2c1 ZINC000340510409 1118312383 /nfs/dbraw/zinc/31/23/83/1118312383.db2.gz VIICEYDPWFMHDJ-IBGZPJMESA-N 0 1 290.366 3.596 20 0 CHADMN CCO[C@H](CN[C@@H](C)c1ccncc1F)c1ccccc1 ZINC000340509935 1118313069 /nfs/dbraw/zinc/31/30/69/1118313069.db2.gz SWUCDEMIEFUBMA-SUMWQHHRSA-N 0 1 288.366 3.649 20 0 CHADMN FC(F)(F)c1cccnc1CNCC1(C(F)(F)F)CC1 ZINC000671726736 1118314026 /nfs/dbraw/zinc/31/40/26/1118314026.db2.gz IUUFTMJNYFSVBM-UHFFFAOYSA-N 0 1 298.230 3.533 20 0 CHADMN Fc1cc(F)cc(CN2CCC3(CCC3)CC2)c1 ZINC000671729253 1118315410 /nfs/dbraw/zinc/31/54/10/1118315410.db2.gz PGVIVKYSBMBIEK-UHFFFAOYSA-N 0 1 251.320 3.731 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]1F)CCCO2 ZINC000340524056 1118315855 /nfs/dbraw/zinc/31/58/55/1118315855.db2.gz BBXIRHGNPGSUCH-RRFJBIMHSA-N 0 1 263.356 3.689 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H]1F)c1cnn(C2CCCC2)c1 ZINC000340521929 1118316101 /nfs/dbraw/zinc/31/61/01/1118316101.db2.gz GZQLZFQMFGWFOO-TUKIKUTGSA-N 0 1 265.376 3.539 20 0 CHADMN CC1(C)Cc2occc2[C@H](N[C@@H]2CCC[C@H]2F)C1 ZINC000340524437 1118317314 /nfs/dbraw/zinc/31/73/14/1118317314.db2.gz SCRHGQTWKMRSHC-JHJVBQTASA-N 0 1 251.345 3.773 20 0 CHADMN COc1c(C)cc(-c2nc3ccc(F)cc3[nH]2)cc1C ZINC000063640467 1118319768 /nfs/dbraw/zinc/31/97/68/1118319768.db2.gz UTLGNBUUJUZORI-UHFFFAOYSA-N 0 1 270.307 3.994 20 0 CHADMN C[C@H](N[C@@H]1CCCc2occc21)c1ccc2[nH]c(=O)oc2c1 ZINC000671740779 1118329557 /nfs/dbraw/zinc/32/95/57/1118329557.db2.gz DPAUYMDULRMDGW-GXFFZTMASA-N 0 1 298.342 3.855 20 0 CHADMN CCN(Cc1ccc(F)nc1)Cc1ccccc1C ZINC000189297713 1128770509 /nfs/dbraw/zinc/77/05/09/1128770509.db2.gz MCRNQSSTVUMZBD-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN CCCN1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1C ZINC000110480820 1118331529 /nfs/dbraw/zinc/33/15/29/1118331529.db2.gz OJZHLBFBDWXSFY-HNNXBMFYSA-N 0 1 294.826 3.851 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@H](O)c2ccccc2)cs1 ZINC000186203188 1118331553 /nfs/dbraw/zinc/33/15/53/1118331553.db2.gz KKABIPDROKLFEE-DOMZBBRYSA-N 0 1 290.432 3.651 20 0 CHADMN FC(F)Oc1cccc(CN2CCc3ccccc3C2)c1 ZINC000065234128 1118332141 /nfs/dbraw/zinc/33/21/41/1118332141.db2.gz PCHARPYJZKOTGK-UHFFFAOYSA-N 0 1 289.325 3.846 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc(O)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746292 1118332242 /nfs/dbraw/zinc/33/22/42/1118332242.db2.gz GIQIRSUEDKFUHK-QWRGUYRKSA-N 0 1 298.342 3.651 20 0 CHADMN CCC[C@H](CN1CC2(CCC2)[C@@H]1c1ccco1)OC ZINC000639236320 1118336798 /nfs/dbraw/zinc/33/67/98/1118336798.db2.gz YLRDABBMIGGIPX-HIFRSBDPSA-N 0 1 263.381 3.622 20 0 CHADMN CCCC[C@H](C)[C@@H](C)NCc1ncn(-c2ccccc2)n1 ZINC000340540574 1118337738 /nfs/dbraw/zinc/33/77/38/1118337738.db2.gz GYGDVBMIDVJGSK-LSDHHAIUSA-N 0 1 286.423 3.572 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)Cc1ccc(F)nc1 ZINC000189289399 1128770965 /nfs/dbraw/zinc/77/09/65/1128770965.db2.gz CDTDQUSSIBAKMF-LLVKDONJSA-N 0 1 262.303 3.553 20 0 CHADMN C[C@@H](O)[C@@H](N[C@@H](C)c1ccc(F)cc1F)c1ccccc1 ZINC000658361678 1118342067 /nfs/dbraw/zinc/34/20/67/1118342067.db2.gz NEVBYXCBZXKBFA-XWCIJXRUSA-N 0 1 291.341 3.738 20 0 CHADMN CCCCN(C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000066861766 1118348450 /nfs/dbraw/zinc/34/84/50/1118348450.db2.gz CJUHQTAECKPTOK-UHFFFAOYSA-N 0 1 276.424 3.655 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C(=O)OCC3CC3)[nH]c2c1 ZINC000784999596 1118349688 /nfs/dbraw/zinc/34/96/88/1118349688.db2.gz NOFZGFMEUBDNPN-OAHLLOKOSA-N 0 1 299.374 3.555 20 0 CHADMN Cc1cc(C)cc(CN2CCC(=O)[C@H]3CCCC[C@H]32)c1 ZINC001204517934 1118359924 /nfs/dbraw/zinc/35/99/24/1118359924.db2.gz HCMIGJZBSPQVLG-DLBZAZTESA-N 0 1 271.404 3.637 20 0 CHADMN CCC[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000568065754 1118361937 /nfs/dbraw/zinc/36/19/37/1118361937.db2.gz FIJKSHQBTKRAND-LBPRGKRZSA-N 0 1 279.355 3.536 20 0 CHADMN C[C@H](N[C@@H](c1ccco1)c1ccccc1)[C@@H]1CCCCO1 ZINC000379226577 1128773068 /nfs/dbraw/zinc/77/30/68/1128773068.db2.gz MQUGJDCOTYJIMR-QILLFSRXSA-N 0 1 285.387 3.916 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N(C)CC(C)C)n1 ZINC000072515538 1118373748 /nfs/dbraw/zinc/37/37/48/1118373748.db2.gz MBYJSOVLLANOLN-ZDUSSCGKSA-N 0 1 273.380 3.694 20 0 CHADMN COc1ccnc(NCc2cccn2CCC(C)C)c1 ZINC000340600861 1118376373 /nfs/dbraw/zinc/37/63/73/1118376373.db2.gz QQVJYMBDHDVHTF-UHFFFAOYSA-N 0 1 273.380 3.550 20 0 CHADMN CN(CC1CCC1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000073566308 1118383681 /nfs/dbraw/zinc/38/36/81/1118383681.db2.gz NIMFQBUPCHFWDG-UHFFFAOYSA-N 0 1 295.386 3.697 20 0 CHADMN CCCC[C@@H](CC)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000073966568 1118385359 /nfs/dbraw/zinc/38/53/59/1118385359.db2.gz DXQPKPBJDIEFIV-ZIAGYGMSSA-N 0 1 296.480 3.683 20 0 CHADMN CC(C)(NC(=O)c1ccc(Nc2ccncc2)cc1)C1CC1 ZINC000073970408 1118385453 /nfs/dbraw/zinc/38/54/53/1118385453.db2.gz IWRQYYPHARYZNC-UHFFFAOYSA-N 0 1 295.386 3.744 20 0 CHADMN CCC(C)=Nc1cncc(Br)c1Cl ZINC001210792626 1118388859 /nfs/dbraw/zinc/38/88/59/1118388859.db2.gz NYNSMFVNLOCBDX-ZZXKWVIFSA-N 0 1 261.550 3.833 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccsc2)cc1F ZINC000683825932 1118391543 /nfs/dbraw/zinc/39/15/43/1118391543.db2.gz RDSDRXKGJFBLGZ-UHFFFAOYSA-N 0 1 279.380 3.918 20 0 CHADMN CCOc1c(Cl)cccc1CN1CCC(OCC)CC1 ZINC000683826775 1118392976 /nfs/dbraw/zinc/39/29/76/1118392976.db2.gz PKKVTFVQIBEWNM-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN CC[C@@H](CSC)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186229004 1118394553 /nfs/dbraw/zinc/39/45/53/1118394553.db2.gz SCEGFJJOGQABLV-ONGXEEELSA-N 0 1 273.829 3.838 20 0 CHADMN FC(F)(F)C1=CCN(Cc2ccc3cnccc3c2)CC1 ZINC000683831131 1118398398 /nfs/dbraw/zinc/39/83/98/1118398398.db2.gz JUHVXWPIGJGGQW-UHFFFAOYSA-N 0 1 292.304 3.929 20 0 CHADMN C/C(=C/c1cccc(C(F)(F)F)c1)CNCc1ccno1 ZINC000580193295 1118399463 /nfs/dbraw/zinc/39/94/63/1118399463.db2.gz UOOOAJFJOPSSKI-XFFZJAGNSA-N 0 1 296.292 3.887 20 0 CHADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000086783025 1118399708 /nfs/dbraw/zinc/39/97/08/1118399708.db2.gz BITQKAKKQHKRPC-GOSISDBHSA-N 0 1 283.371 3.527 20 0 CHADMN C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000683836246 1118401056 /nfs/dbraw/zinc/40/10/56/1118401056.db2.gz FVFKNXDOTVIDDT-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1ccc2cnccc2c1 ZINC000683836246 1118401061 /nfs/dbraw/zinc/40/10/61/1118401061.db2.gz FVFKNXDOTVIDDT-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN Fc1ccc2c(c1)CCN(Cc1ccc3cnccc3c1)C2 ZINC000683836630 1118402594 /nfs/dbraw/zinc/40/25/94/1118402594.db2.gz PDDXRLFHKGBUHA-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN CC(C)(C(=O)NOCC1CCC1)c1cccc(Cl)c1F ZINC001167369216 1118404817 /nfs/dbraw/zinc/40/48/17/1118404817.db2.gz UBJJEFZUMHASSK-UHFFFAOYSA-N 0 1 299.773 3.605 20 0 CHADMN C[C@H]1C[C@H]1CC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000580261715 1118411543 /nfs/dbraw/zinc/41/15/43/1118411543.db2.gz UHEBZLICTGISIZ-QWRGUYRKSA-N 0 1 285.391 3.845 20 0 CHADMN COc1ccc(C(=O)[O-])cc1C[N@@H+](C)C1CCCCCC1 ZINC000050126842 1118419895 /nfs/dbraw/zinc/41/98/95/1118419895.db2.gz HMVAUETWWYLNAE-UHFFFAOYSA-N 0 1 291.391 3.548 20 0 CHADMN COc1ncc(CN[C@@H]2CCCc3c(C)cccc32)s1 ZINC000639326963 1118421692 /nfs/dbraw/zinc/42/16/92/1118421692.db2.gz JZNBHYFQANWQEY-OAHLLOKOSA-N 0 1 288.416 3.627 20 0 CHADMN CC(C)(CO)[C@H](NCc1ccccc1F)c1ccccc1 ZINC000683889062 1118428452 /nfs/dbraw/zinc/42/84/52/1118428452.db2.gz IZGHZUIKSHXKPD-QGZVFWFLSA-N 0 1 287.378 3.675 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cccc(OC(F)F)c2)s1 ZINC000089520442 1118430189 /nfs/dbraw/zinc/43/01/89/1118430189.db2.gz XFPIQOVCSRCEFD-SECBINFHSA-N 0 1 298.358 3.904 20 0 CHADMN CCO[C@@H](C)c1nc(COc2cc(C)nc(C)c2)cs1 ZINC000152791072 1118430728 /nfs/dbraw/zinc/43/07/28/1118430728.db2.gz ZISVSKQSALHNAJ-LBPRGKRZSA-N 0 1 292.404 3.831 20 0 CHADMN CC(C)C1(NCc2csc(C(C)(C)C)n2)CC1 ZINC000379738515 1118435670 /nfs/dbraw/zinc/43/56/70/1118435670.db2.gz VVYDJAUDLQOWJJ-UHFFFAOYSA-N 0 1 252.427 3.719 20 0 CHADMN CC[C@]1(NCc2c(Cl)cccc2Cl)CCOC1 ZINC000393479477 1118438470 /nfs/dbraw/zinc/43/84/70/1118438470.db2.gz JMRAATSELSFXIR-ZDUSSCGKSA-N 0 1 274.191 3.652 20 0 CHADMN CCCc1ccc(CNCc2ccccc2OC)cc1 ZINC000083514880 1118442015 /nfs/dbraw/zinc/44/20/15/1118442015.db2.gz VJKONHMZZRVZIN-UHFFFAOYSA-N 0 1 269.388 3.938 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc2ccccc2c1 ZINC000086752408 1118444654 /nfs/dbraw/zinc/44/46/54/1118444654.db2.gz VWTDNPIKCRKLME-CYBMUJFWSA-N 0 1 271.360 3.525 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](c2ccncc2)C1 ZINC000580396562 1118444671 /nfs/dbraw/zinc/44/46/71/1118444671.db2.gz PHKVWLFBWPWANS-UKRRQHHQSA-N 0 1 299.418 3.918 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)C[C@@H]1CCCCO1 ZINC000052162688 1118448200 /nfs/dbraw/zinc/44/82/00/1118448200.db2.gz NDUQNDYHJSJGOB-STQMWFEESA-N 0 1 267.800 3.902 20 0 CHADMN Fc1cccc2c1OCC[C@@H]2NCc1cc2ccccc2[nH]1 ZINC000683930863 1118448728 /nfs/dbraw/zinc/44/87/28/1118448728.db2.gz GAERPFQPABSQIF-KRWDZBQOSA-N 0 1 296.345 3.920 20 0 CHADMN CSc1ccccc1Nc1nnc(-c2ccco2)o1 ZINC001211063444 1118451768 /nfs/dbraw/zinc/45/17/68/1118451768.db2.gz QMJMOWUEMTUYEP-UHFFFAOYSA-N 0 1 273.317 3.795 20 0 CHADMN CC(C)CCN(Cc1nc(-c2ccsc2)no1)C1CC1 ZINC000047911901 1118454183 /nfs/dbraw/zinc/45/41/83/1118454183.db2.gz ZTLXSWOBDQWPEA-UHFFFAOYSA-N 0 1 291.420 3.809 20 0 CHADMN CCCCN(Cc1cc(OC)c(O)cc1Cl)C1CC1 ZINC001657304670 1118454857 /nfs/dbraw/zinc/45/48/57/1118454857.db2.gz UEBBRKVKBCHASU-UHFFFAOYSA-N 0 1 283.799 3.819 20 0 CHADMN C[C@@H]1CCC(C)(C)N1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000616165322 1128778708 /nfs/dbraw/zinc/77/87/08/1128778708.db2.gz OTWPZMQYENSPJF-GFCCVEGCSA-N 0 1 289.423 3.861 20 0 CHADMN C[N@@H+](Cc1ccc2ccccc2c1)Cc1ccncc1O ZINC001140280097 1118479618 /nfs/dbraw/zinc/47/96/18/1118479618.db2.gz AMCTYOFJZYTTSF-UHFFFAOYSA-N 0 1 278.355 3.572 20 0 CHADMN FC1(F)CC12CN(Cc1ccc(C3CCC3)cc1)C2 ZINC000656265441 1118486860 /nfs/dbraw/zinc/48/68/60/1118486860.db2.gz NANZGDINUFUQKZ-UHFFFAOYSA-N 0 1 263.331 3.795 20 0 CHADMN C[C@H](CN1CC2(CC2(F)F)C1)c1cccc(Cl)c1 ZINC000656265746 1118487034 /nfs/dbraw/zinc/48/70/34/1118487034.db2.gz ZFPCUQJCMJQUAH-SNVBAGLBSA-N 0 1 271.738 3.785 20 0 CHADMN Cn1cncc1Nc1cc(C(F)(F)F)ccc1Cl ZINC001211249333 1118487592 /nfs/dbraw/zinc/48/75/92/1118487592.db2.gz PCVCOXSSECAYPG-UHFFFAOYSA-N 0 1 275.661 3.836 20 0 CHADMN COCCN(Cc1cc2ccccc2[nH]1)Cc1ccccc1 ZINC000684019187 1118489085 /nfs/dbraw/zinc/48/90/85/1118489085.db2.gz NFHTXVRMCMZONH-UHFFFAOYSA-N 0 1 294.398 3.817 20 0 CHADMN Cc1nn(C)cc1[C@@H]1CCCN1Cc1cc2ccccc2[nH]1 ZINC000684022454 1118490532 /nfs/dbraw/zinc/49/05/32/1118490532.db2.gz MBULATZTYBNAMN-SFHVURJKSA-N 0 1 294.402 3.547 20 0 CHADMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccccc1 ZINC000146208703 1118495387 /nfs/dbraw/zinc/49/53/87/1118495387.db2.gz CBUIYOHGBGJAOH-UHFFFAOYSA-N 0 1 296.153 3.629 20 0 CHADMN CC(C)(C)n1cc(C[N@H+]2CCC[C@H]2CC2CCCC2)nn1 ZINC000656279857 1118496071 /nfs/dbraw/zinc/49/60/71/1118496071.db2.gz YXZCLRZSEOUCNS-INIZCTEOSA-N 0 1 290.455 3.578 20 0 CHADMN CC(C)(C)n1cc(CN2CCC[C@H]2CC2CCCC2)nn1 ZINC000656279857 1118496073 /nfs/dbraw/zinc/49/60/73/1118496073.db2.gz YXZCLRZSEOUCNS-INIZCTEOSA-N 0 1 290.455 3.578 20 0 CHADMN C[C@H](Cc1ccc(F)cc1)N[C@@H]1CCCCC1(F)F ZINC000398194030 1118498250 /nfs/dbraw/zinc/49/82/50/1118498250.db2.gz LAKOHSHGNUMTKH-BXUZGUMPSA-N 0 1 271.326 3.924 20 0 CHADMN Cc1ccc(CCC2CCN(Cc3cncnc3)CC2)cc1 ZINC000123101392 1118498653 /nfs/dbraw/zinc/49/86/53/1118498653.db2.gz QAIJQNWSJRQJHD-UHFFFAOYSA-N 0 1 295.430 3.630 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)c1ccccc1F ZINC001167434053 1118502865 /nfs/dbraw/zinc/50/28/65/1118502865.db2.gz RKPRDUUKTQDMDQ-XJKCOSOUSA-N 0 1 275.367 3.661 20 0 CHADMN CC[N@@H+]1CCc2cc(-c3cc(F)c([O-])cc3F)ccc2C1 ZINC001211339460 1118505575 /nfs/dbraw/zinc/50/55/75/1118505575.db2.gz PFWPEXBUOAEKFD-UHFFFAOYSA-N 0 1 289.325 3.715 20 0 CHADMN CC[N@H+]1CCc2cc(-c3cc(F)c([O-])cc3F)ccc2C1 ZINC001211339460 1118505577 /nfs/dbraw/zinc/50/55/77/1118505577.db2.gz PFWPEXBUOAEKFD-UHFFFAOYSA-N 0 1 289.325 3.715 20 0 CHADMN C[N@@H+](Cc1ccc(F)cn1)[C@@H]1CCCc2ccccc21 ZINC000580808283 1118506237 /nfs/dbraw/zinc/50/62/37/1118506237.db2.gz HKPQJBJOELZHLM-QGZVFWFLSA-N 0 1 270.351 3.730 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccoc1 ZINC000060331846 1118513727 /nfs/dbraw/zinc/51/37/27/1118513727.db2.gz OPXRIMLZOURSSR-UHFFFAOYSA-N 0 1 281.315 3.676 20 0 CHADMN CCc1ccc([C@H]2CCCCCN2Cc2cnccn2)o1 ZINC000580878733 1118516012 /nfs/dbraw/zinc/51/60/12/1118516012.db2.gz OMFKHIDDMPUNTK-MRXNPFEDSA-N 0 1 285.391 3.749 20 0 CHADMN CC1(C)Cc2occc2[C@@H](N[C@H](CO)c2ccsc2)C1 ZINC000349356578 1118520195 /nfs/dbraw/zinc/52/01/95/1118520195.db2.gz QSOTZEHRWRAJRV-UONOGXRCSA-N 0 1 291.416 3.678 20 0 CHADMN Clc1cccc(CN2CCSC3(CCCCC3)C2)n1 ZINC000175971178 1118520797 /nfs/dbraw/zinc/52/07/97/1118520797.db2.gz NSWPURFRINFYSQ-UHFFFAOYSA-N 0 1 296.867 3.987 20 0 CHADMN Fc1cc(-c2ccco2)ccc1CNCc1cc[nH]c1 ZINC000684111249 1118523109 /nfs/dbraw/zinc/52/31/09/1118523109.db2.gz OZEBQESQUVCJEK-UHFFFAOYSA-N 0 1 270.307 3.704 20 0 CHADMN COc1cccc2cc([C@H](C)NC/C=C/Cl)oc21 ZINC000754595277 1118534179 /nfs/dbraw/zinc/53/41/79/1118534179.db2.gz AZWMBINRCOSWEG-QBBOHKLWSA-N 0 1 265.740 3.845 20 0 CHADMN CC(C)c1ccc([C@H](C)Cc2nc([C@H]3CCCN3)no2)cc1 ZINC000647148998 1118553851 /nfs/dbraw/zinc/55/38/51/1118553851.db2.gz BBISBMGKTAMGEB-CZUORRHYSA-N 0 1 299.418 3.964 20 0 CHADMN c1csc(CCCCCc2nc([C@H]3CCCN3)no2)c1 ZINC000647149452 1118554373 /nfs/dbraw/zinc/55/43/73/1118554373.db2.gz MASUPQPRLPBEQM-CYBMUJFWSA-N 0 1 291.420 3.511 20 0 CHADMN CCc1ccc(Nc2ccc(C)c3[nH]ncc32)cn1 ZINC001215755862 1118576690 /nfs/dbraw/zinc/57/66/90/1118576690.db2.gz FEWLWOKDDNGNRK-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN COCc1cc([C@@H](C)NCc2occc2C)ccc1OC ZINC000293788046 1118582266 /nfs/dbraw/zinc/58/22/66/1118582266.db2.gz UFHAAPCMHFLSPW-CYBMUJFWSA-N 0 1 289.375 3.594 20 0 CHADMN Fc1ccc(-n2cnc3c2CCN(CC2CCCC2)C3)cc1 ZINC000510423632 1118591121 /nfs/dbraw/zinc/59/11/21/1118591121.db2.gz GMSZLLYPPXHBGY-UHFFFAOYSA-N 0 1 299.393 3.560 20 0 CHADMN CCCN(Cc1nc(C(C)(C)C)co1)CC1CC1 ZINC000891393156 1118592311 /nfs/dbraw/zinc/59/23/11/1118592311.db2.gz AKWVZQBVXVIBOQ-UHFFFAOYSA-N 0 1 250.386 3.594 20 0 CHADMN CCn1cc(CN2CCC[C@@H]2c2ccc(OC)cc2)c(C)n1 ZINC000891398420 1118594378 /nfs/dbraw/zinc/59/43/78/1118594378.db2.gz XILVPLWYZXQITG-GOSISDBHSA-N 0 1 299.418 3.557 20 0 CHADMN Cc1cnc(CN[C@@H](CC(C)(C)C)c2ccccc2)n1C ZINC000341091475 1118601990 /nfs/dbraw/zinc/60/19/90/1118601990.db2.gz LLXFVUWCSBIXGP-INIZCTEOSA-N 0 1 285.435 3.996 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(F)c(F)cc1OC ZINC001143394592 1118605830 /nfs/dbraw/zinc/60/58/30/1118605830.db2.gz IQRDENQMHWVIEU-LBPRGKRZSA-N 0 1 269.335 3.738 20 0 CHADMN Cc1csc(CN[C@H](C)c2cccnc2Cl)c1 ZINC000834883692 1118608027 /nfs/dbraw/zinc/60/80/27/1118608027.db2.gz TXWRGBRYAGSCDL-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Clc1ccc([C@@H]2C[C@@H]2CN2CCCCC23COC3)cc1 ZINC001207190189 1118613535 /nfs/dbraw/zinc/61/35/35/1118613535.db2.gz HHXDUYKNPXUIPL-ZBFHGGJFSA-N 0 1 291.822 3.698 20 0 CHADMN COc1cccc(CN2CC(Cc3ccccc3)C2)c1F ZINC000656651728 1118621393 /nfs/dbraw/zinc/62/13/93/1118621393.db2.gz KAIBUNYSAYNOMU-UHFFFAOYSA-N 0 1 285.362 3.509 20 0 CHADMN CC1(C)CN(C[C@H]2C[C@@H]2c2ccc(Cl)cc2)CCC1=O ZINC001207194713 1118628195 /nfs/dbraw/zinc/62/81/95/1118628195.db2.gz YUOHWEBWUPSOJL-UKRRQHHQSA-N 0 1 291.822 3.745 20 0 CHADMN C[C@@H](NCc1c(C2CCC2)cnn1C)c1ccc(F)cc1 ZINC000656688974 1118637627 /nfs/dbraw/zinc/63/76/27/1118637627.db2.gz MTDGPLZRYYMTOK-GFCCVEGCSA-N 0 1 287.382 3.678 20 0 CHADMN FC1CC2(C1)CN(Cc1cccc(OC(F)(F)F)c1)C2 ZINC000656694628 1118639935 /nfs/dbraw/zinc/63/99/35/1118639935.db2.gz YPRSPYUSFVTXOX-UHFFFAOYSA-N 0 1 289.272 3.519 20 0 CHADMN Cc1cnc(CN[C@H](CC2CCC2)c2ccccc2)n1C ZINC000341272127 1118647048 /nfs/dbraw/zinc/64/70/48/1118647048.db2.gz COIMYAKNKDSCLT-QGZVFWFLSA-N 0 1 283.419 3.750 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCCC2(CCCC2)CC1 ZINC000656759045 1118650427 /nfs/dbraw/zinc/65/04/27/1118650427.db2.gz UVXWDFVOZUUGGG-CQSZACIVSA-N 0 1 267.413 3.532 20 0 CHADMN CCC1(CC)CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000656762791 1118651683 /nfs/dbraw/zinc/65/16/83/1118651683.db2.gz HCKMSOFVHGVJJE-HNNXBMFYSA-N 0 1 293.382 3.854 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCCC2CCC2)[C@@H]2CCCC[C@H]12 ZINC000656763998 1118651758 /nfs/dbraw/zinc/65/17/58/1118651758.db2.gz DTWZMKRLKYLFFE-BZUAXINKSA-N 0 1 279.424 3.532 20 0 CHADMN CC(C)n1nccc1CN1CCC(C2CCCC2)CC1 ZINC000684361470 1118651946 /nfs/dbraw/zinc/65/19/46/1118651946.db2.gz SPXRBVTWDQYVSZ-UHFFFAOYSA-N 0 1 275.440 3.866 20 0 CHADMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccnn1C(C)C ZINC000684361649 1118651980 /nfs/dbraw/zinc/65/19/80/1118651980.db2.gz VECWEBILNMBVOH-GOSISDBHSA-N 0 1 283.419 3.973 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1ccnn1C(C)C ZINC000684361649 1118651984 /nfs/dbraw/zinc/65/19/84/1118651984.db2.gz VECWEBILNMBVOH-GOSISDBHSA-N 0 1 283.419 3.973 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CCCCC2)[C@H]2CCCC[C@@H]12 ZINC000656767693 1118652611 /nfs/dbraw/zinc/65/26/11/1118652611.db2.gz UBCPCBZBBAVGCX-BBWFWOEESA-N 0 1 293.451 3.922 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](C)c2ccc3c(c2)OCO3)s1 ZINC000090401774 1118655378 /nfs/dbraw/zinc/65/53/78/1118655378.db2.gz XVGJJRQKWNLYTB-UWVGGRQHSA-N 0 1 290.388 3.592 20 0 CHADMN CC(=O)Nc1ccc(CNc2nccc(C)c2C2CC2)cc1 ZINC000656779250 1118655897 /nfs/dbraw/zinc/65/58/97/1118655897.db2.gz KDXWWXIYRMSRRK-UHFFFAOYSA-N 0 1 295.386 3.838 20 0 CHADMN CCc1ncc(CNc2nccc(C)c2C2CC2)s1 ZINC000656779824 1118656120 /nfs/dbraw/zinc/65/61/20/1118656120.db2.gz UYJLJBQYVZQBQU-UHFFFAOYSA-N 0 1 273.405 3.898 20 0 CHADMN CC(C)n1nccc1CN[C@H]1CSCc2ccccc21 ZINC000684372073 1118660997 /nfs/dbraw/zinc/66/09/97/1118660997.db2.gz GKGYBDSMCKHXRE-INIZCTEOSA-N 0 1 287.432 3.542 20 0 CHADMN Fc1cccc(Cl)c1CCN1CCC[C@@H]1c1cn[nH]c1 ZINC000639777341 1118667340 /nfs/dbraw/zinc/66/73/40/1118667340.db2.gz BQVZEFQJCTVPFM-OAHLLOKOSA-N 0 1 293.773 3.582 20 0 CHADMN Cc1nn(C(C)C)cc1CNC(C)(C)c1ccc(C)nc1 ZINC000341363173 1118675454 /nfs/dbraw/zinc/67/54/54/1118675454.db2.gz HTTJWIXXAQXISE-UHFFFAOYSA-N 0 1 286.423 3.501 20 0 CHADMN CSc1ccccc1C[N@@H+](C)Cc1ccc(O)cc1 ZINC000684411962 1118686865 /nfs/dbraw/zinc/68/68/65/1118686865.db2.gz FAOKWMZKZFJPBM-UHFFFAOYSA-N 0 1 273.401 3.746 20 0 CHADMN CSc1ccccc1CN(C)Cc1ccc(O)cc1 ZINC000684411962 1118686866 /nfs/dbraw/zinc/68/68/66/1118686866.db2.gz FAOKWMZKZFJPBM-UHFFFAOYSA-N 0 1 273.401 3.746 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H]2CCCSC2)cs1 ZINC000341402783 1118693206 /nfs/dbraw/zinc/69/32/06/1118693206.db2.gz RAKNXPIMQURNPM-QWRGUYRKSA-N 0 1 270.467 3.813 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2CCc3cc(F)ccc32)s1 ZINC000090405988 1118695408 /nfs/dbraw/zinc/69/54/08/1118695408.db2.gz BYWMGYWBRBXYIU-YMTOWFKASA-N 0 1 276.380 3.929 20 0 CHADMN Cn1ncc(C[N@H+]2CCC[C@@H]2c2cccs2)c1C1CC1 ZINC000891498162 1118696121 /nfs/dbraw/zinc/69/61/21/1118696121.db2.gz HYJDBAABMVHXHR-CQSZACIVSA-N 0 1 287.432 3.696 20 0 CHADMN Cc1cc(F)ncc1CN(C)[C@H](C)c1ccccc1 ZINC000891503597 1118698391 /nfs/dbraw/zinc/69/83/91/1118698391.db2.gz KEXKAMRNZPJYKZ-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)Cc1cnn(C2CCC2)c1 ZINC000891537480 1118704473 /nfs/dbraw/zinc/70/44/73/1118704473.db2.gz SMXBSZFGLZLTMA-CYBMUJFWSA-N 0 1 287.382 3.940 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)Cc1cn2ccnc2s1 ZINC000891537486 1118704748 /nfs/dbraw/zinc/70/47/48/1118704748.db2.gz SSACXQCZEBBFSP-LLVKDONJSA-N 0 1 289.379 3.728 20 0 CHADMN Cc1ccc(CNc2ccc(Cl)c(CN(C)C)c2)nc1 ZINC000341514152 1118718204 /nfs/dbraw/zinc/71/82/04/1118718204.db2.gz QXFKWRSYZRUZIX-UHFFFAOYSA-N 0 1 289.810 3.717 20 0 CHADMN CCOC1CCN(Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000891667809 1118734862 /nfs/dbraw/zinc/73/48/62/1118734862.db2.gz PHVQZJUZIKNMIX-UHFFFAOYSA-N 0 1 287.325 3.764 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1ccc(C)c(C)c1)CCO2 ZINC000341548549 1118735906 /nfs/dbraw/zinc/73/59/06/1118735906.db2.gz AQEAEDQMYCBCAK-GOSISDBHSA-N 0 1 297.398 3.925 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cccc3cc[nH]c31)CO2 ZINC000341550915 1118737779 /nfs/dbraw/zinc/73/77/79/1118737779.db2.gz YLWVNNZKGYVCCR-OAHLLOKOSA-N 0 1 282.318 3.530 20 0 CHADMN CCOc1cccc(CN[C@@H]2CCCc3sccc32)n1 ZINC000341553573 1118738549 /nfs/dbraw/zinc/73/85/49/1118738549.db2.gz IMXGYCMSGOPSHB-CQSZACIVSA-N 0 1 288.416 3.709 20 0 CHADMN Cc1cc2cc(C[N@H+]3CCOCC4(CC4)C3)oc2cc1C ZINC000341567062 1118742853 /nfs/dbraw/zinc/74/28/53/1118742853.db2.gz RFZWTNCXQAWKKG-UHFFFAOYSA-N 0 1 285.387 3.662 20 0 CHADMN CC(C)CCOC1CCN(Cc2ccc(O)c(F)c2)CC1 ZINC000891724342 1118752572 /nfs/dbraw/zinc/75/25/72/1118752572.db2.gz DNUKRBMQGQGFLA-UHFFFAOYSA-N 0 1 295.398 3.558 20 0 CHADMN CC(C)Cn1nccc1CN1CC([C@H]2CCC[C@H](C)C2)C1 ZINC001207233371 1118762180 /nfs/dbraw/zinc/76/21/80/1118762180.db2.gz FWKKHRLNAXPBMH-HOTGVXAUSA-N 0 1 289.467 3.797 20 0 CHADMN C[N@@H+](CCCc1ccccc1)Cc1nc2cccnc2s1 ZINC000341625916 1118762441 /nfs/dbraw/zinc/76/24/41/1118762441.db2.gz GPAOOZZJUASIRQ-UHFFFAOYSA-N 0 1 297.427 3.756 20 0 CHADMN CN(CCCc1ccccc1)Cc1nc2cccnc2s1 ZINC000341625916 1118762442 /nfs/dbraw/zinc/76/24/42/1118762442.db2.gz GPAOOZZJUASIRQ-UHFFFAOYSA-N 0 1 297.427 3.756 20 0 CHADMN O=C(Nc1ccc(C2CCC2)cc1)c1ccc2cncn2c1 ZINC000341627651 1118763770 /nfs/dbraw/zinc/76/37/70/1118763770.db2.gz DSWUITISLCUEMP-UHFFFAOYSA-N 0 1 291.354 3.854 20 0 CHADMN CCOc1ccccc1OCCN1CCc2ccccc2C1 ZINC000023228015 1118770835 /nfs/dbraw/zinc/77/08/35/1118770835.db2.gz LCJAWEJPLHKEGR-UHFFFAOYSA-N 0 1 297.398 3.522 20 0 CHADMN CC[C@]1(C)CCN([C@@H](C)C(=O)Nc2cc(F)ccc2C)C1 ZINC000468115063 1118772207 /nfs/dbraw/zinc/77/22/07/1118772207.db2.gz KGHMLYCUDRCSJE-SUMWQHHRSA-N 0 1 292.398 3.583 20 0 CHADMN Oc1ccc([C@H]2CCCN2Cc2ccnn2C2CCC2)cc1 ZINC000891795670 1118777875 /nfs/dbraw/zinc/77/78/75/1118777875.db2.gz AACXNZOBSLHKNV-GOSISDBHSA-N 0 1 297.402 3.651 20 0 CHADMN COc1cc(C[N@@H+]2CC(C)=C[C@@H](C)C2)ccc1OC(C)C ZINC000430872490 1118780453 /nfs/dbraw/zinc/78/04/53/1118780453.db2.gz JJNZQILPHMKNJZ-CQSZACIVSA-N 0 1 289.419 3.880 20 0 CHADMN CC(C)Cn1nccc1CN1CC([C@@H]2CCC[C@H](C)C2)C1 ZINC001207233652 1118781572 /nfs/dbraw/zinc/78/15/72/1118781572.db2.gz FWKKHRLNAXPBMH-JKSUJKDBSA-N 0 1 289.467 3.797 20 0 CHADMN CC[C@H](N[C@H]1CCC[C@@H](CCCC(=O)OC)C1)C(F)F ZINC000449361111 1118795014 /nfs/dbraw/zinc/79/50/14/1118795014.db2.gz KOEJETJQFSCDRV-AVGNSLFASA-N 0 1 291.382 3.522 20 0 CHADMN C=COc1ccc(NC(=O)CN(C)CCCCCC)cc1 ZINC001299157945 1118796639 /nfs/dbraw/zinc/79/66/39/1118796639.db2.gz RWFHFCCPSSTJJU-UHFFFAOYSA-N 0 1 290.407 3.660 20 0 CHADMN COc1cc(F)cc(C[N@@H+](C)Cc2cccc(C)c2)c1 ZINC001140478727 1118797599 /nfs/dbraw/zinc/79/75/99/1118797599.db2.gz ZDQQKWPZSUIKSA-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN CC(C)(C)c1nc(CSc2ccc(F)cc2)n[nH]1 ZINC000430985624 1118806669 /nfs/dbraw/zinc/80/66/69/1118806669.db2.gz AGTCHYCGLRIHLQ-UHFFFAOYSA-N 0 1 265.357 3.534 20 0 CHADMN CC[C@H]1CN(Cc2ccccc2C(F)(F)F)CCCO1 ZINC000510763674 1118808501 /nfs/dbraw/zinc/80/85/01/1118808501.db2.gz MAGSWFGDDAAKBW-ZDUSSCGKSA-N 0 1 287.325 3.706 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@@H](C)c1cccc(F)c1F ZINC000090963439 1118818802 /nfs/dbraw/zinc/81/88/02/1118818802.db2.gz XHZCUHKRPJMPOI-SFYZADRCSA-N 0 1 267.241 3.956 20 0 CHADMN CC[C@H]1CCCCN1Cc1c(F)c(F)ccc1OC ZINC001143412143 1118823033 /nfs/dbraw/zinc/82/30/33/1118823033.db2.gz IQFAVZQYTUKDRH-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN CCCCOc1ccccc1CNCc1scnc1C ZINC000129469567 1118837680 /nfs/dbraw/zinc/83/76/80/1118837680.db2.gz GAOUNGYVUHPZSD-UHFFFAOYSA-N 0 1 290.432 3.920 20 0 CHADMN CC(C)Cc1ncc(CN2CC(C3CCC3)C2)s1 ZINC000348706257 1118841543 /nfs/dbraw/zinc/84/15/43/1118841543.db2.gz HAPQTDOLHNVYJS-UHFFFAOYSA-N 0 1 264.438 3.574 20 0 CHADMN CC(C)c1cnc(CN2CCCSC[C@H]2C2CC2)o1 ZINC000933912926 1118842893 /nfs/dbraw/zinc/84/28/93/1118842893.db2.gz PGVUVEGMCZYQAM-ZDUSSCGKSA-N 0 1 280.437 3.516 20 0 CHADMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1nc(-c2cccc(C)c2)no1 ZINC000466904937 1118845402 /nfs/dbraw/zinc/84/54/02/1118845402.db2.gz PHPCBJLEMLLUDG-ZFWWWQNUSA-N 0 1 285.391 3.665 20 0 CHADMN [O-]c1cccc2c(NCCc3ccsc3)cc[nH+]c12 ZINC000684568132 1118851195 /nfs/dbraw/zinc/85/11/95/1118851195.db2.gz DWEJXHIHZOSPHH-UHFFFAOYSA-N 0 1 270.357 3.657 20 0 CHADMN COc1ccc2ccccc2c1CNCc1cncs1 ZINC000133045694 1118859255 /nfs/dbraw/zinc/85/92/55/1118859255.db2.gz PLEPPVMALRVTPB-UHFFFAOYSA-N 0 1 284.384 3.595 20 0 CHADMN COCCC1(CNc2cc[nH+]c3c([O-])cccc23)CCC1 ZINC000684576230 1118862757 /nfs/dbraw/zinc/86/27/57/1118862757.db2.gz NPXORZUPVOUPTG-UHFFFAOYSA-N 0 1 286.375 3.559 20 0 CHADMN COc1ccsc1CNC1(c2ccccc2C)CC1 ZINC000647224781 1118867732 /nfs/dbraw/zinc/86/77/32/1118867732.db2.gz ZFUBCQMMWKXYEH-UHFFFAOYSA-N 0 1 273.401 3.844 20 0 CHADMN Cc1ccccc1C1(NCc2cc3cccnc3o2)CC1 ZINC000647224677 1118868048 /nfs/dbraw/zinc/86/80/48/1118868048.db2.gz UAZCFBSCRCPWIA-UHFFFAOYSA-N 0 1 278.355 3.915 20 0 CHADMN C[C@@H]1CCC[C@@H](CN2CC(C)(C)[C@H]2c2nccn2C)C1 ZINC000449415499 1118875312 /nfs/dbraw/zinc/87/53/12/1118875312.db2.gz PFKVNYXJEHMWHH-RBSFLKMASA-N 0 1 275.440 3.629 20 0 CHADMN CN(Cc1ccc(Cl)s1)Cc1ccc2[nH]cnc2c1 ZINC000535781714 1118885172 /nfs/dbraw/zinc/88/51/72/1118885172.db2.gz IYPYPGNHNCBOBM-UHFFFAOYSA-N 0 1 291.807 3.910 20 0 CHADMN CN(Cc1ccc(Cl)s1)Cc1ccc2nc[nH]c2c1 ZINC000535781714 1118885180 /nfs/dbraw/zinc/88/51/80/1118885180.db2.gz IYPYPGNHNCBOBM-UHFFFAOYSA-N 0 1 291.807 3.910 20 0 CHADMN c1cc2c(s1)CCN(Cc1ccnc3ccccc13)C2 ZINC000535779830 1118885390 /nfs/dbraw/zinc/88/53/90/1118885390.db2.gz OGIPCEVPDZJSMO-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN C[C@H](c1ccco1)[N@H+](Cc1ccc2nc[nH]c2c1)C1CC1 ZINC000535824027 1118901605 /nfs/dbraw/zinc/90/16/05/1118901605.db2.gz WEDHKIVJWRIIIH-GFCCVEGCSA-N 0 1 281.359 3.882 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](Cc1ccc2nc[nH]c2c1)C1CC1 ZINC000535824027 1118901608 /nfs/dbraw/zinc/90/16/08/1118901608.db2.gz WEDHKIVJWRIIIH-GFCCVEGCSA-N 0 1 281.359 3.882 20 0 CHADMN Cc1cc(F)ccc1CN(C)Cc1cc(Cl)cn1C ZINC000535825395 1118902053 /nfs/dbraw/zinc/90/20/53/1118902053.db2.gz ZDPWNIGQBATAMH-UHFFFAOYSA-N 0 1 280.774 3.758 20 0 CHADMN CC[C@](C)(O)CNCc1c(Cl)ccc(Cl)c1Cl ZINC000096478416 1118907163 /nfs/dbraw/zinc/90/71/63/1118907163.db2.gz TUICQCHKKKVZAC-LBPRGKRZSA-N 0 1 296.625 3.897 20 0 CHADMN CN(Cc1noc2c1CCCC2)[C@H]1CCC(C)(C)C1 ZINC000684625497 1118912087 /nfs/dbraw/zinc/91/20/87/1118912087.db2.gz UKEJUGNDDQGWTB-LBPRGKRZSA-N 0 1 262.397 3.564 20 0 CHADMN CC(C)COc1ccccc1CNCc1ccc(CO)cc1 ZINC000647229214 1118914978 /nfs/dbraw/zinc/91/49/78/1118914978.db2.gz VDIVMQZHBAMIGG-UHFFFAOYSA-N 0 1 299.414 3.504 20 0 CHADMN CC(C)Oc1ccc(CNc2ccc3c[nH]nc3c2)cc1 ZINC000037317174 1118916167 /nfs/dbraw/zinc/91/61/67/1118916167.db2.gz SHPNGGDGBZVWMT-UHFFFAOYSA-N 0 1 281.359 3.962 20 0 CHADMN CC[C@@H](C)N(Cc1ccccc1)CN1CCSC1=S ZINC000077441925 1128810399 /nfs/dbraw/zinc/81/03/99/1128810399.db2.gz HCXHWUWDNPWGPB-CYBMUJFWSA-N 0 1 294.489 3.578 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCC3CC=CC3)n2)o1 ZINC000657243270 1118932189 /nfs/dbraw/zinc/93/21/89/1118932189.db2.gz RFXXWXRMTUHERD-CMDGGOBGSA-N 0 1 287.388 3.935 20 0 CHADMN C[C@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)CC[C@@H]1C(=O)[O-] ZINC000314479435 1118936068 /nfs/dbraw/zinc/93/60/68/1118936068.db2.gz FXFWUXHUMVTROE-LBDPXKHJSA-N 0 1 295.467 3.882 20 0 CHADMN Brc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)s1 ZINC000148092485 1118937438 /nfs/dbraw/zinc/93/74/38/1118937438.db2.gz HBZQXFYUHJGNOP-AOOOYVTPSA-N 0 1 286.238 3.743 20 0 CHADMN C[C@@H]1CSCCN1Cc1ccc(C(F)F)c(F)c1 ZINC000892045902 1118947052 /nfs/dbraw/zinc/94/70/52/1118947052.db2.gz KCEAYVUHCGRHAE-SECBINFHSA-N 0 1 275.339 3.701 20 0 CHADMN FC(F)(F)c1nc(CN(CC2CC2)CC2CC2)cs1 ZINC000892059932 1118953392 /nfs/dbraw/zinc/95/33/92/1118953392.db2.gz FBEFFIKCXFCZRW-UHFFFAOYSA-N 0 1 290.354 3.784 20 0 CHADMN COCc1csc(CNCc2ccccc2Cl)c1 ZINC000657286517 1118958200 /nfs/dbraw/zinc/95/82/00/1118958200.db2.gz ZNKFRELYMPTBJV-UHFFFAOYSA-N 0 1 281.808 3.838 20 0 CHADMN C[C@@H](NCc1ccnn1CC1CC1)c1cccc(Cl)c1 ZINC000657287321 1118958238 /nfs/dbraw/zinc/95/82/38/1118958238.db2.gz KSWZZHJKTGOZJW-GFCCVEGCSA-N 0 1 289.810 3.797 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1cc(C)cnc1Cl ZINC000892085065 1118960060 /nfs/dbraw/zinc/96/00/60/1118960060.db2.gz ZQSYNRZHQIHFTL-LLVKDONJSA-N 0 1 272.845 3.617 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2ccsc2C(=O)OC)C1 ZINC001167507924 1118963904 /nfs/dbraw/zinc/96/39/04/1118963904.db2.gz BYQPMQRBYIUNRR-INIZCTEOSA-N 0 1 295.448 3.937 20 0 CHADMN COc1cc([C@@H](C)NCc2coc3ccccc23)ccn1 ZINC000342302249 1118970846 /nfs/dbraw/zinc/97/08/46/1118970846.db2.gz UDIPCHBBSUXJLA-GFCCVEGCSA-N 0 1 282.343 3.687 20 0 CHADMN C[C@H](Cc1cccnc1)N[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000934236419 1118987168 /nfs/dbraw/zinc/98/71/68/1118987168.db2.gz PEZWQHKMZDMWAO-CHWSQXEVSA-N 0 1 287.407 3.649 20 0 CHADMN CC(C)N1C(=O)CN(CC[C@@H]2CCC[C@@H](C)C2)CC1(C)C ZINC001167525772 1118987286 /nfs/dbraw/zinc/98/72/86/1118987286.db2.gz JWMDRPZDLUAJMZ-CVEARBPZSA-N 0 1 294.483 3.534 20 0 CHADMN CC(C)Oc1ncccc1CN[C@@H](C)c1ccccc1 ZINC000048760405 1118988856 /nfs/dbraw/zinc/98/88/56/1118988856.db2.gz WFQORFXCXGOSCN-AWEZNQCLSA-N 0 1 270.376 3.720 20 0 CHADMN COCc1csc(CNCc2ccc([C@@H]3C[C@H]3C)o2)c1 ZINC000657319462 1118997591 /nfs/dbraw/zinc/99/75/91/1118997591.db2.gz ZRUKNWLSKYDRAY-IAQYHMDHSA-N 0 1 291.416 3.901 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)C[C@H](O)c1ccccc1 ZINC000051407485 1118998645 /nfs/dbraw/zinc/99/86/45/1118998645.db2.gz IZVARILKWHHJAU-PXAZEXFGSA-N 0 1 291.341 3.691 20 0 CHADMN CC(C)(C)c1coc(CN[C@@H]2CCC(C)(C)C2)n1 ZINC000724428574 1118999978 /nfs/dbraw/zinc/99/99/78/1118999978.db2.gz ACSOAQIXPVCNQA-LLVKDONJSA-N 0 1 250.386 3.640 20 0 CHADMN CC(C)(C)c1coc(CN[C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC000724430187 1119000889 /nfs/dbraw/zinc/00/08/89/1119000889.db2.gz SIKONIQAFCRKOK-RWMBFGLXSA-N 0 1 262.397 3.640 20 0 CHADMN Cc1occc1CNCc1cc2c(cccc2C)[nH]1 ZINC000657326576 1119002908 /nfs/dbraw/zinc/00/29/08/1119002908.db2.gz PASBUMKZOQBNDN-UHFFFAOYSA-N 0 1 254.333 3.668 20 0 CHADMN CC(C)(C)c1coc(CNC[C@]23C[C@H]2CCCC3)n1 ZINC000724437160 1119004465 /nfs/dbraw/zinc/00/44/65/1119004465.db2.gz GDTJLYHBQRWRKC-WBMJQRKESA-N 0 1 262.397 3.642 20 0 CHADMN c1cc2cc(CN3CCO[C@@H](c4ccccc4)C3)ccc2[nH]1 ZINC000628129387 1128815047 /nfs/dbraw/zinc/81/50/47/1128815047.db2.gz YZLLXAIHKFZEIO-LJQANCHMSA-N 0 1 292.382 3.741 20 0 CHADMN CCCn1nccc1CN[C@H](C)c1cccc(OCC)c1 ZINC000657335539 1119009060 /nfs/dbraw/zinc/00/90/60/1119009060.db2.gz GJXHVNKIUYGBHL-CQSZACIVSA-N 0 1 287.407 3.543 20 0 CHADMN Cc1c[nH]c(CN[C@H](c2ccccc2)C2CCCC2)n1 ZINC000657336367 1119009949 /nfs/dbraw/zinc/00/99/49/1119009949.db2.gz RADPKIBTBCLUJN-QGZVFWFLSA-N 0 1 269.392 3.739 20 0 CHADMN CCCCN(C(=O)[C@H](C)Cc1cnc[nH]1)C1CCCCC1 ZINC000582130506 1119017755 /nfs/dbraw/zinc/01/77/55/1119017755.db2.gz GFXTYXHHGXNCHV-CQSZACIVSA-N 0 1 291.439 3.550 20 0 CHADMN COc1cc2c(cc1F)CC[C@@H]2N[C@@H](C)c1ccoc1 ZINC000582134132 1119021104 /nfs/dbraw/zinc/02/11/04/1119021104.db2.gz GVRVYWZBISGFPS-BONVTDFDSA-N 0 1 275.323 3.765 20 0 CHADMN Cc1cc(F)ccc1CN[C@@H](C)c1cncc(F)c1 ZINC000582167188 1119028129 /nfs/dbraw/zinc/02/81/29/1119028129.db2.gz ILUQQYJEXQFDOL-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN Clc1sccc1CN1CC[C@@H](Cc2nccs2)C1 ZINC000934332786 1119028481 /nfs/dbraw/zinc/02/84/81/1119028481.db2.gz SYRHAQRDSUARAX-JTQLQIEISA-N 0 1 298.864 3.923 20 0 CHADMN Clc1ccsc1CN1CC[C@@H](Cc2nccs2)C1 ZINC000934334788 1119029548 /nfs/dbraw/zinc/02/95/48/1119029548.db2.gz XEYRIEGREHDQBF-JTQLQIEISA-N 0 1 298.864 3.923 20 0 CHADMN Cc1ccc([C@@H](C)CN(C)Cc2nccn2C(F)F)cc1 ZINC000628136750 1128816976 /nfs/dbraw/zinc/81/69/76/1128816976.db2.gz MDJJXQHRMYZJOQ-ZDUSSCGKSA-N 0 1 293.361 3.822 20 0 CHADMN CCc1cccc2cc(CNCc3cnn(CC)c3)oc21 ZINC000657366912 1119032948 /nfs/dbraw/zinc/03/29/48/1119032948.db2.gz OJHLKAJWYFGZQT-UHFFFAOYSA-N 0 1 283.375 3.501 20 0 CHADMN COCc1csc(CNC2(c3cccc(F)c3)CC2)c1 ZINC000657372359 1119038543 /nfs/dbraw/zinc/03/85/43/1119038543.db2.gz ULUDIMFLNZVGOC-UHFFFAOYSA-N 0 1 291.391 3.813 20 0 CHADMN CC(C)c1ccc(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000043585690 1119045056 /nfs/dbraw/zinc/04/50/56/1119045056.db2.gz PROIGAGMHRVBAP-OAHLLOKOSA-N 0 1 289.419 3.887 20 0 CHADMN Cc1cnc([C@H](C)NCc2cc3ccncc3s2)s1 ZINC000657388920 1119048950 /nfs/dbraw/zinc/04/89/50/1119048950.db2.gz QHJFGBIORYUULM-JTQLQIEISA-N 0 1 289.429 3.912 20 0 CHADMN CCc1noc(CC)c1CNCc1cc2c(cccc2C)[nH]1 ZINC000657396552 1119054496 /nfs/dbraw/zinc/05/44/96/1119054496.db2.gz MAGDPTNZNOGBGP-UHFFFAOYSA-N 0 1 297.402 3.879 20 0 CHADMN CCCCN(C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000057569669 1119056701 /nfs/dbraw/zinc/05/67/01/1119056701.db2.gz PXWFOHNCGDNIEQ-SNVBAGLBSA-N 0 1 286.778 3.538 20 0 CHADMN CCOc1ccc(CN[C@H]2COc3ccc(C)cc32)c(C)c1 ZINC000657399723 1119057800 /nfs/dbraw/zinc/05/78/00/1119057800.db2.gz CVVCSKHDZSLBBT-SFHVURJKSA-N 0 1 297.398 3.925 20 0 CHADMN COc1cc(CN[C@H](C)c2cc(C)oc2C)cc(OC)c1 ZINC000044729502 1119060332 /nfs/dbraw/zinc/06/03/32/1119060332.db2.gz STPPVHCROFTYQV-GFCCVEGCSA-N 0 1 289.375 3.764 20 0 CHADMN CCOc1ccc(CNc2ccc3c(c2)CN(C)C3)c(C)c1 ZINC000657405804 1119063975 /nfs/dbraw/zinc/06/39/75/1119063975.db2.gz LCXBBASAMLHUAH-UHFFFAOYSA-N 0 1 296.414 3.951 20 0 CHADMN COCC[C@H](NCc1cc2ccc(C)cc2[nH]1)c1ccco1 ZINC000657429813 1119081536 /nfs/dbraw/zinc/08/15/36/1119081536.db2.gz KTMNURPAFCYBAT-INIZCTEOSA-N 0 1 298.386 3.937 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1nccn1C(C)C)[C@@H](C)C2 ZINC000657430576 1119083019 /nfs/dbraw/zinc/08/30/19/1119083019.db2.gz QVVKQUDBQSQLLX-KBXCAEBGSA-N 0 1 283.419 3.796 20 0 CHADMN Cc1c[nH]c(CN[C@H]2c3ccccc3CC[C@@H]2C(C)C)n1 ZINC000657434759 1119087720 /nfs/dbraw/zinc/08/77/20/1119087720.db2.gz IMMXYWIXZVCJLO-CRAIPNDOSA-N 0 1 283.419 3.767 20 0 CHADMN Cc1nccc(N2CCC(c3cccnc3)CC2)c1Cl ZINC000684891327 1119095231 /nfs/dbraw/zinc/09/52/31/1119095231.db2.gz UWJSRUHLVUJMDS-UHFFFAOYSA-N 0 1 287.794 3.822 20 0 CHADMN Cc1nccc(N2CCC[C@@H](C[C@H]3CCOC3)C2)c1Cl ZINC000684890871 1119095525 /nfs/dbraw/zinc/09/55/25/1119095525.db2.gz RQOCUHWTAXRGPT-UONOGXRCSA-N 0 1 294.826 3.686 20 0 CHADMN Cn1ncc(C2CC2)c1CNCc1ccc(C2CCC2)cc1 ZINC000657447958 1119102185 /nfs/dbraw/zinc/10/21/85/1119102185.db2.gz VAPLBNTYOIGRIZ-UHFFFAOYSA-N 0 1 295.430 3.855 20 0 CHADMN Cc1ncc(C[N@H+](C)[C@H](c2ccccc2)C(C)C)o1 ZINC000628173532 1128821905 /nfs/dbraw/zinc/82/19/05/1128821905.db2.gz ZGGGRFNJBNJAAS-INIZCTEOSA-N 0 1 258.365 3.812 20 0 CHADMN Cc1c[nH]c(CN[C@H]2CC(C)(C)CCc3ccccc32)n1 ZINC000657458935 1119110745 /nfs/dbraw/zinc/11/07/45/1119110745.db2.gz RKQJYGAYYZCHCT-INIZCTEOSA-N 0 1 283.419 3.912 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1[C@H](C)CCC[C@H]1C ZINC000342646998 1119111228 /nfs/dbraw/zinc/11/12/28/1119111228.db2.gz DOXJZLZBSHMERE-CHWSQXEVSA-N 0 1 289.398 3.958 20 0 CHADMN CC/C=C/CCN1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000342658870 1119116372 /nfs/dbraw/zinc/11/63/72/1119116372.db2.gz LPCNJXJBVUSXGS-ONEGZZNKSA-N 0 1 299.393 3.726 20 0 CHADMN Fc1ccc(CNc2cc3c(cn2)CCC3)c(F)c1F ZINC000657476932 1119120400 /nfs/dbraw/zinc/12/04/00/1119120400.db2.gz VAXAKEXNYDKASR-UHFFFAOYSA-N 0 1 278.277 3.600 20 0 CHADMN CC[C@H]1[C@H](C)CCN1Cc1ncc(CSC)s1 ZINC000352943385 1119123698 /nfs/dbraw/zinc/12/36/98/1119123698.db2.gz CLMQZEOTQRLBNX-PWSUYJOCSA-N 0 1 270.467 3.627 20 0 CHADMN Cn1cc(Cl)c(CNC2CCC(C3CCC3)CC2)n1 ZINC000657481671 1119124282 /nfs/dbraw/zinc/12/42/82/1119124282.db2.gz VITMDTKCZPUPPZ-UHFFFAOYSA-N 0 1 281.831 3.522 20 0 CHADMN CCc1nc(CN[C@@H](C)COc2ccc(C)cc2)cs1 ZINC000049949228 1119133309 /nfs/dbraw/zinc/13/33/09/1119133309.db2.gz WBGNGFYSESLLFW-ZDUSSCGKSA-N 0 1 290.432 3.571 20 0 CHADMN Cc1cccc(C2(NCc3ccnn3CC3CC3)CCC2)c1 ZINC000657498787 1119133465 /nfs/dbraw/zinc/13/34/65/1119133465.db2.gz LQSSBANCULRMIP-UHFFFAOYSA-N 0 1 295.430 3.771 20 0 CHADMN CCCn1nccc1CN[C@H](CC)c1ccccc1F ZINC000657506110 1119137530 /nfs/dbraw/zinc/13/75/30/1119137530.db2.gz YPUUBLAHRKTICH-MRXNPFEDSA-N 0 1 275.371 3.673 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3cccnc32)ccc1F ZINC000684954279 1119141547 /nfs/dbraw/zinc/14/15/47/1119141547.db2.gz XLRDVMMAAKIDBB-MRXNPFEDSA-N 0 1 270.351 3.696 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2cccnc21)c1c(C)nn(C)c1C ZINC000684958209 1119142103 /nfs/dbraw/zinc/14/21/03/1119142103.db2.gz VMZXVHQCJVHVAJ-HZPDHXFCSA-N 0 1 298.434 3.550 20 0 CHADMN CCOc1cc(C)ccc1CN[C@H]1CCCc2cccnc21 ZINC000684958002 1119142345 /nfs/dbraw/zinc/14/23/45/1119142345.db2.gz SCDBBOKQLVILCZ-KRWDZBQOSA-N 0 1 296.414 3.956 20 0 CHADMN c1cncc([C@@H](N[C@@H]2CCCc3cccnc32)C2CC2)c1 ZINC000684960145 1119143419 /nfs/dbraw/zinc/14/34/19/1119143419.db2.gz OCNXGVKELSIWHH-SJORKVTESA-N 0 1 279.387 3.595 20 0 CHADMN c1cncc([C@@H](N[C@H]2CCCc3cccnc32)C2CC2)c1 ZINC000684960142 1119143444 /nfs/dbraw/zinc/14/34/44/1119143444.db2.gz OCNXGVKELSIWHH-IRXDYDNUSA-N 0 1 279.387 3.595 20 0 CHADMN CO[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[C@H]1C ZINC000342729425 1119145998 /nfs/dbraw/zinc/14/59/98/1119145998.db2.gz FAVLXUHXLKDNLE-RISCZKNCSA-N 0 1 287.325 3.562 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc(C2CCCCC2)no1)C1CC1 ZINC000237359847 1119156510 /nfs/dbraw/zinc/15/65/10/1119156510.db2.gz NLDCVUMNJXTNSY-MNOVXSKESA-N 0 1 263.385 3.566 20 0 CHADMN Cc1cnc(CN2CCCCC[C@@H]2c2ccccc2)n1C ZINC000342772513 1119161026 /nfs/dbraw/zinc/16/10/26/1119161026.db2.gz CNBWFNIAYLKDHM-QGZVFWFLSA-N 0 1 283.419 3.846 20 0 CHADMN CC[C@@H]1CCCN([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC000117344989 1119162731 /nfs/dbraw/zinc/16/27/31/1119162731.db2.gz OCNXZGYDKNVDLO-QWHCGFSZSA-N 0 1 265.401 3.766 20 0 CHADMN CC[C@H]1CCCCN1Cc1nc2cc(Cl)ccc2n1C ZINC000097466581 1119166502 /nfs/dbraw/zinc/16/65/02/1119166502.db2.gz AMBAZNLCPVMGSH-ZDUSSCGKSA-N 0 1 291.826 3.991 20 0 CHADMN c1csc(-c2nc(CN[C@]34C[C@H]3CCC4)cs2)c1 ZINC000657552160 1119177471 /nfs/dbraw/zinc/17/74/71/1119177471.db2.gz QZQDVVGTIFCOJA-QMTHXVAHSA-N 0 1 276.430 3.904 20 0 CHADMN CC[N@H+](Cc1ncc(-c2ccc(C)cc2)o1)CC1CC1 ZINC000075739318 1119177486 /nfs/dbraw/zinc/17/74/86/1119177486.db2.gz VCDAQJRNQIRRGT-UHFFFAOYSA-N 0 1 270.376 3.882 20 0 CHADMN Cc1ccccc1-c1cnc(CN2CCC(C)CC2)o1 ZINC000075617150 1119178000 /nfs/dbraw/zinc/17/80/00/1119178000.db2.gz QOYWBMHCBIBNFS-UHFFFAOYSA-N 0 1 270.376 3.882 20 0 CHADMN CCC[C@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC000075703349 1119179382 /nfs/dbraw/zinc/17/93/82/1119179382.db2.gz GCHOATXRDWHOBC-JTQLQIEISA-N 0 1 286.778 3.538 20 0 CHADMN CCC[C@H](C)N(C)CC(=O)Nc1cc(Cl)ccc1F ZINC000075703349 1119179383 /nfs/dbraw/zinc/17/93/83/1119179383.db2.gz GCHOATXRDWHOBC-JTQLQIEISA-N 0 1 286.778 3.538 20 0 CHADMN COc1cccc(F)c1CNc1ncc(C)c2cc[nH]c21 ZINC001167606978 1119180007 /nfs/dbraw/zinc/18/00/07/1119180007.db2.gz WTCVCFWADFBRIO-UHFFFAOYSA-N 0 1 285.322 3.631 20 0 CHADMN Cc1nc(C)c(CNCCOc2ccc3ccccc3c2)o1 ZINC000628201842 1128827188 /nfs/dbraw/zinc/82/71/88/1128827188.db2.gz XZTWAASDWXRXSG-UHFFFAOYSA-N 0 1 296.370 3.613 20 0 CHADMN Cc1ccc(-c2nc(CN3CCC[C@@H]3C)cs2)o1 ZINC000076115189 1119183520 /nfs/dbraw/zinc/18/35/20/1119183520.db2.gz DUWKQFFGFQGUNX-JTQLQIEISA-N 0 1 262.378 3.696 20 0 CHADMN CC(C)N(Cc1ccc(F)c(F)c1)Cc1ccccn1 ZINC000076777056 1119187746 /nfs/dbraw/zinc/18/77/46/1119187746.db2.gz ICZKYMKTFSYXTL-UHFFFAOYSA-N 0 1 276.330 3.770 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccccc3C)C2)cs1 ZINC000076724811 1119189457 /nfs/dbraw/zinc/18/94/57/1119189457.db2.gz GYVTYFYYJBMOOC-CQSZACIVSA-N 0 1 272.417 3.749 20 0 CHADMN c1nc(C2CC2)oc1CNCc1cc2c(s1)CCCC2 ZINC000628209756 1128827683 /nfs/dbraw/zinc/82/76/83/1128827683.db2.gz SJUQGRDIHFEQJX-UHFFFAOYSA-N 0 1 288.416 3.782 20 0 CHADMN CCCCCC[N@@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000077250233 1119190969 /nfs/dbraw/zinc/19/09/69/1119190969.db2.gz PXTRZSSRKBIRIZ-CQSZACIVSA-N 0 1 297.464 3.663 20 0 CHADMN CCCCCCN(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000077250233 1119190971 /nfs/dbraw/zinc/19/09/71/1119190971.db2.gz PXTRZSSRKBIRIZ-CQSZACIVSA-N 0 1 297.464 3.663 20 0 CHADMN CC(C)Oc1ccccc1CN[C@H](CCO)c1ccccc1 ZINC000077468118 1119192976 /nfs/dbraw/zinc/19/29/76/1119192976.db2.gz YCMRBVQBWRSVKU-GOSISDBHSA-N 0 1 299.414 3.687 20 0 CHADMN CCC(O)(CC)C(C)(C)C[NH2+]Cc1cccc([O-])c1Cl ZINC000657578157 1119195269 /nfs/dbraw/zinc/19/52/69/1119195269.db2.gz RIGUSAWFAWCLST-UHFFFAOYSA-N 0 1 299.842 3.713 20 0 CHADMN COC[C@@H](NCc1cccc(C)c1C)c1cccc(OC)c1 ZINC000657610993 1119206492 /nfs/dbraw/zinc/20/64/92/1119206492.db2.gz HSIHCUOFYNCYGG-LJQANCHMSA-N 0 1 299.414 3.789 20 0 CHADMN CCc1ccc(CN[C@@H](COC)c2cccc(OC)c2)cc1 ZINC000657612538 1119206987 /nfs/dbraw/zinc/20/69/87/1119206987.db2.gz YXDDXKVELOQDBZ-IBGZPJMESA-N 0 1 299.414 3.735 20 0 CHADMN COc1cccc(F)c1CNc1ccc2[nH]cnc2c1C ZINC001167612767 1119207674 /nfs/dbraw/zinc/20/76/74/1119207674.db2.gz GCNVBJBOIGUAEY-UHFFFAOYSA-N 0 1 285.322 3.631 20 0 CHADMN CCCn1cc(CN[C@@H](c2ccccc2F)C(C)C)cn1 ZINC000657615961 1119208263 /nfs/dbraw/zinc/20/82/63/1119208263.db2.gz UFLWCPHOMSJQBR-QGZVFWFLSA-N 0 1 289.398 3.919 20 0 CHADMN C[C@@H]1C[C@H](C)N1Cc1cnc(-c2cccs2)s1 ZINC000525996766 1119209603 /nfs/dbraw/zinc/20/96/03/1119209603.db2.gz HFPHNZOLKHZQPC-AOOOYVTPSA-N 0 1 264.419 3.854 20 0 CHADMN CCC[C@H](NCC1=CCCOC1)c1ncccc1Cl ZINC000926426679 1119211745 /nfs/dbraw/zinc/21/17/45/1119211745.db2.gz MEGLIJHLPYNDCY-AWEZNQCLSA-N 0 1 280.799 3.513 20 0 CHADMN Cc1cc(C)cc(CNCc2cnc(C3CC3)s2)c1 ZINC000657625822 1119213221 /nfs/dbraw/zinc/21/32/21/1119213221.db2.gz IXPXPPSJRGBQRG-UHFFFAOYSA-N 0 1 272.417 3.927 20 0 CHADMN FC(F)(F)c1cccnc1CN[C@@H]1CCc2ccccc21 ZINC000657643128 1119219606 /nfs/dbraw/zinc/21/96/06/1119219606.db2.gz QEGGVIVLSZRKTD-CQSZACIVSA-N 0 1 292.304 3.878 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1C[C@@H](C)CC1(C)C ZINC000472262323 1119219875 /nfs/dbraw/zinc/21/98/75/1119219875.db2.gz WKTWTBCDQRXAKM-LBPRGKRZSA-N 0 1 289.398 3.816 20 0 CHADMN CSCC(C)(C)NCc1csc(C(C)(C)C)n1 ZINC000934675094 1119225371 /nfs/dbraw/zinc/22/53/71/1119225371.db2.gz FWNBCGFIAJQODP-UHFFFAOYSA-N 0 1 272.483 3.672 20 0 CHADMN CC(C)c1noc([C@H](C)[N@H+]2CC[C@H](c3ccccc3)C2)n1 ZINC000120140646 1119231540 /nfs/dbraw/zinc/23/15/40/1119231540.db2.gz CCSSQLINAAEJSZ-ZFWWWQNUSA-N 0 1 285.391 3.744 20 0 CHADMN CC(C)c1noc([C@H](C)N2CC[C@H](c3ccccc3)C2)n1 ZINC000120140646 1119231543 /nfs/dbraw/zinc/23/15/43/1119231543.db2.gz CCSSQLINAAEJSZ-ZFWWWQNUSA-N 0 1 285.391 3.744 20 0 CHADMN CC(C)COc1ccccc1CNCc1ccc(F)nc1 ZINC000189005518 1128831240 /nfs/dbraw/zinc/83/12/40/1128831240.db2.gz NWWANGARNRKINP-UHFFFAOYSA-N 0 1 288.366 3.545 20 0 CHADMN C[C@H](NCc1c(F)c(F)cc(F)c1F)C1CC(F)(F)C1 ZINC000628227446 1128831247 /nfs/dbraw/zinc/83/12/47/1128831247.db2.gz GRZQJOWCCXHZLK-LURJTMIESA-N 0 1 297.242 3.766 20 0 CHADMN CCCc1csc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)n1 ZINC000449535371 1119236817 /nfs/dbraw/zinc/23/68/17/1119236817.db2.gz HNKOYJGLSTXAGT-GOEBONIOSA-N 0 1 276.449 3.716 20 0 CHADMN C[C@H](N[C@H](c1nccn1C)C1CC1)c1ccc(Cl)cc1 ZINC000353040392 1119237434 /nfs/dbraw/zinc/23/74/34/1119237434.db2.gz UDFLKJQYBGAPDI-NHYWBVRUSA-N 0 1 289.810 3.875 20 0 CHADMN Clc1ccc(CN2CC[C@@]3(CCOC3)C2)cc1Cl ZINC000153510884 1119240893 /nfs/dbraw/zinc/24/08/93/1119240893.db2.gz KPOLSHZHHUHKNZ-CQSZACIVSA-N 0 1 286.202 3.606 20 0 CHADMN Cc1nc(CN2CCCC3(CCCCC3)C2)[nH]c1C ZINC000628174284 1119244679 /nfs/dbraw/zinc/24/46/79/1119244679.db2.gz CRBJHLNILZDTKL-UHFFFAOYSA-N 0 1 261.413 3.573 20 0 CHADMN CCC[C@H](CCO)CNc1ccnc2cc(F)ccc21 ZINC000078673448 1119244749 /nfs/dbraw/zinc/24/47/49/1119244749.db2.gz NHSPXKXNTUZDHI-GFCCVEGCSA-N 0 1 276.355 3.585 20 0 CHADMN Oc1ccc2c(c1)[C@H](NCc1sccc1Cl)CC2 ZINC000657693619 1119250047 /nfs/dbraw/zinc/25/00/47/1119250047.db2.gz NYVDCKFMFWTEMN-CYBMUJFWSA-N 0 1 279.792 3.884 20 0 CHADMN Cc1ccc(F)c(CN[C@H]2CCc3ccc(O)cc32)c1 ZINC000657692850 1119249931 /nfs/dbraw/zinc/24/99/31/1119249931.db2.gz FWRFVLHVDMTHEC-KRWDZBQOSA-N 0 1 271.335 3.617 20 0 CHADMN Oc1ccc2c(c1)[C@H](NCc1scnc1C1CC1)CC2 ZINC000657692766 1119250067 /nfs/dbraw/zinc/25/00/67/1119250067.db2.gz DBTFJYIBOPCVLM-CQSZACIVSA-N 0 1 286.400 3.503 20 0 CHADMN C[C@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1ncc[nH]1 ZINC000138909895 1119251224 /nfs/dbraw/zinc/25/12/24/1119251224.db2.gz QZKGVNXEYBQZNO-HZMBPMFUSA-N 0 1 275.783 3.865 20 0 CHADMN Oc1ccc2c(c1)[C@H](NCc1cnc(C3CC3)s1)CC2 ZINC000657695093 1119252761 /nfs/dbraw/zinc/25/27/61/1119252761.db2.gz ZDOXMWWMIZBMSP-OAHLLOKOSA-N 0 1 286.400 3.503 20 0 CHADMN CCOCCN(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000120958208 1119253838 /nfs/dbraw/zinc/25/38/38/1119253838.db2.gz SIJYBMRUJYGVIH-LBPRGKRZSA-N 0 1 270.442 3.604 20 0 CHADMN CSCCCSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000078938994 1119261100 /nfs/dbraw/zinc/26/11/00/1119261100.db2.gz YYQNFWUDWXVHFH-UHFFFAOYSA-N 0 1 279.434 3.625 20 0 CHADMN Cc1csc(CN[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)n1 ZINC000657707520 1119263021 /nfs/dbraw/zinc/26/30/21/1119263021.db2.gz HTKNEMKGQVPUQW-QWHCGFSZSA-N 0 1 294.464 3.667 20 0 CHADMN CC[C@@H](NCc1cnn(C)c1C)c1cccc(Cl)c1F ZINC000161970661 1119264526 /nfs/dbraw/zinc/26/45/26/1119264526.db2.gz WFQWHKLXHMINFS-CQSZACIVSA-N 0 1 295.789 3.762 20 0 CHADMN Cc1ncc(CN[C@@H](C)CSc2ccc(C)cc2)o1 ZINC000628240245 1128833351 /nfs/dbraw/zinc/83/33/51/1128833351.db2.gz WCYCNRBWLUQADE-LBPRGKRZSA-N 0 1 276.405 3.562 20 0 CHADMN CCc1csc(NC[C@H](c2ccco2)N2CCCC2)n1 ZINC000079038906 1119267390 /nfs/dbraw/zinc/26/73/90/1119267390.db2.gz PKTDCXIILSUDDZ-CYBMUJFWSA-N 0 1 291.420 3.548 20 0 CHADMN c1cncc(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000121757031 1119268338 /nfs/dbraw/zinc/26/83/38/1119268338.db2.gz YTGDSBJAFMVRNA-GOSISDBHSA-N 0 1 294.398 3.574 20 0 CHADMN Cc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000343015853 1119282760 /nfs/dbraw/zinc/28/27/60/1119282760.db2.gz QOKYYHUAFOABLD-MRXNPFEDSA-N 0 1 286.419 3.506 20 0 CHADMN COc1ccc([C@H]2C[C@@H]2[C@@H](C)N[C@@H]2CCCC2(F)F)cc1 ZINC000672621900 1119289490 /nfs/dbraw/zinc/28/94/90/1119289490.db2.gz NEBSALBLTDYCPB-RAEVTNRLSA-N 0 1 295.373 3.965 20 0 CHADMN Cc1ccccc1[C@@H]1C[N@@H+](CC2CCCCC2)CCO1 ZINC000525637229 1119291163 /nfs/dbraw/zinc/29/11/63/1119291163.db2.gz DBSTZIWLIPQSGX-SFHVURJKSA-N 0 1 273.420 3.949 20 0 CHADMN CC(C)CCc1noc(CN2C[C@H](C)CCC[C@H]2C)n1 ZINC000525637022 1119291572 /nfs/dbraw/zinc/29/15/72/1119291572.db2.gz WEILKUICPQOKGJ-ZIAGYGMSSA-N 0 1 279.428 3.669 20 0 CHADMN C[C@H](N[C@@H]1CCCC1(F)F)C1CCC(F)(F)CC1 ZINC000672622485 1119296916 /nfs/dbraw/zinc/29/69/16/1119296916.db2.gz ZDMTURKANVFWDF-GXSJLCMTSA-N 0 1 267.310 3.978 20 0 CHADMN Cc1ncc(CN[C@@H]2CSCCc3ccccc32)s1 ZINC000123742917 1119302027 /nfs/dbraw/zinc/30/20/27/1119302027.db2.gz BODNHUXZQNGQQT-OAHLLOKOSA-N 0 1 290.457 3.572 20 0 CHADMN Cc1cc(F)nc(Nc2ccnc(C(C)(C)C)c2)c1 ZINC001213166525 1119312028 /nfs/dbraw/zinc/31/20/28/1119312028.db2.gz HDAJPDDVBPLETI-UHFFFAOYSA-N 0 1 259.328 3.965 20 0 CHADMN Cc1cnc([C@H](C)NCCSc2ccccc2)s1 ZINC000124344633 1119312406 /nfs/dbraw/zinc/31/24/06/1119312406.db2.gz VGCJNTPGMXOEQB-LBPRGKRZSA-N 0 1 278.446 3.894 20 0 CHADMN CC[C@H]1CCCCN1Cc1nc(-c2ccc(C)cc2)no1 ZINC000248103319 1119313492 /nfs/dbraw/zinc/31/34/92/1119313492.db2.gz PZDWLQBJCHGFRR-HNNXBMFYSA-N 0 1 285.391 3.810 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)/C=C/C3CC3)[nH]c2c1 ZINC000079813823 1119313521 /nfs/dbraw/zinc/31/35/21/1119313521.db2.gz VJFAQFCXZDNRMD-DYLHUKMJSA-N 0 1 295.386 3.501 20 0 CHADMN CC(C)[C@H](O)[C@H](NCc1ccccc1F)c1ccccc1 ZINC000657742486 1119315243 /nfs/dbraw/zinc/31/52/43/1119315243.db2.gz RQJZTWFPLHOGIK-MSOLQXFVSA-N 0 1 287.378 3.674 20 0 CHADMN CC[C@H]1CN(Cc2nccc(C)n2)CC[C@H]1c1ccccc1 ZINC000535962958 1119315814 /nfs/dbraw/zinc/31/58/14/1119315814.db2.gz IWXMIEBAWXINCF-FUHWJXTLSA-N 0 1 295.430 3.801 20 0 CHADMN C[C@@H]1C[C@@H](C)N1Cc1cccc(F)c1OCC(F)(F)F ZINC000628255371 1128837412 /nfs/dbraw/zinc/83/74/12/1128837412.db2.gz KNTMPUPMZHWUIS-NXEZZACHSA-N 0 1 291.288 3.750 20 0 CHADMN CC(C)(C)CNc1ccccc1CN1CCSCC1 ZINC000092160176 1119317241 /nfs/dbraw/zinc/31/72/41/1119317241.db2.gz ZTUTVXGNECTJBU-UHFFFAOYSA-N 0 1 278.465 3.693 20 0 CHADMN Cc1cc(Nc2ccc(CO)c(C)c2)c2ccccc2n1 ZINC001211570421 1119317854 /nfs/dbraw/zinc/31/78/54/1119317854.db2.gz FBGLGIZQLCKTNM-UHFFFAOYSA-N 0 1 278.355 3.509 20 0 CHADMN Cc1ccc(CNCc2cnc(C)cc2C)c(Cl)c1 ZINC000397059606 1119317871 /nfs/dbraw/zinc/31/78/71/1119317871.db2.gz CJEWIAXBTVJADN-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN CC1=CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000535964762 1119318200 /nfs/dbraw/zinc/31/82/00/1119318200.db2.gz UPHHMTPAVUBHCS-UHFFFAOYSA-N 0 1 285.309 3.780 20 0 CHADMN C[C@H](NCc1cccnc1N(C)C)c1cccc(Cl)c1 ZINC000154767723 1119318516 /nfs/dbraw/zinc/31/85/16/1119318516.db2.gz JLVXVOOVVUNIKG-LBPRGKRZSA-N 0 1 289.810 3.652 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1c(O)cccc1F ZINC000124777911 1119320286 /nfs/dbraw/zinc/32/02/86/1119320286.db2.gz DAGSESIXFNEUGF-OCCSQVGLSA-N 0 1 299.345 3.550 20 0 CHADMN CCc1noc(CC)c1CN[C@H](C)c1cccc(F)c1 ZINC000124815100 1119321218 /nfs/dbraw/zinc/32/12/18/1119321218.db2.gz LELQYMDBVHXGIF-LLVKDONJSA-N 0 1 276.355 3.789 20 0 CHADMN c1coc(C2CCN(Cc3cc(C4CC4)no3)CC2)c1 ZINC000661161101 1119323048 /nfs/dbraw/zinc/32/30/48/1119323048.db2.gz KTNKFYYGEPXVEN-UHFFFAOYSA-N 0 1 272.348 3.525 20 0 CHADMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000155292700 1119330684 /nfs/dbraw/zinc/33/06/84/1119330684.db2.gz LSVDOFGDYCSYAN-OLZOCXBDSA-N 0 1 287.432 3.826 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2nnc(-c3ccccc3)s2)C1 ZINC000155292700 1119330687 /nfs/dbraw/zinc/33/06/87/1119330687.db2.gz LSVDOFGDYCSYAN-OLZOCXBDSA-N 0 1 287.432 3.826 20 0 CHADMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000155292914 1119331214 /nfs/dbraw/zinc/33/12/14/1119331214.db2.gz LSVDOFGDYCSYAN-CHWSQXEVSA-N 0 1 287.432 3.826 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2nnc(-c3ccccc3)s2)C1 ZINC000155292914 1119331217 /nfs/dbraw/zinc/33/12/17/1119331217.db2.gz LSVDOFGDYCSYAN-CHWSQXEVSA-N 0 1 287.432 3.826 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1ccc(C)o1)CCC2 ZINC000092383957 1119335759 /nfs/dbraw/zinc/33/57/59/1119335759.db2.gz RMRPKHGNUBILIN-KRWDZBQOSA-N 0 1 271.360 3.764 20 0 CHADMN CC[C@@H]1CCC[C@@H](C[N@@H+](CC(=O)[O-])Cc2ccccc2)C1 ZINC000692417083 1119337274 /nfs/dbraw/zinc/33/72/74/1119337274.db2.gz YTACRBUSYPEPAT-NVXWUHKLSA-N 0 1 289.419 3.790 20 0 CHADMN c1ccc(-c2noc(CN3CCC4(CCC4)CC3)n2)cc1 ZINC000375738092 1119339769 /nfs/dbraw/zinc/33/97/69/1119339769.db2.gz JVMBRTDMZWPMBD-UHFFFAOYSA-N 0 1 283.375 3.503 20 0 CHADMN CCC[C@@H](C)NC(=O)[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000147895602 1119339906 /nfs/dbraw/zinc/33/99/06/1119339906.db2.gz ZBKLGMSBWMVCGI-JHJVBQTASA-N 0 1 296.842 3.684 20 0 CHADMN CC(C)CN(C)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000349871766 1119341464 /nfs/dbraw/zinc/34/14/64/1119341464.db2.gz GRZMXFSNPMWXDM-UHFFFAOYSA-N 0 1 299.340 3.680 20 0 CHADMN c1csc(-c2cnc(CN3CC[C@H]4CCC[C@H]43)o2)c1 ZINC000426453395 1119350794 /nfs/dbraw/zinc/35/07/94/1119350794.db2.gz GAPFOLYGFNZIEV-VXGBXAGGSA-N 0 1 274.389 3.778 20 0 CHADMN CCC[C@H](NC[C@@H](OC)C1CC1)c1ncccc1Cl ZINC000926488404 1119353198 /nfs/dbraw/zinc/35/31/98/1119353198.db2.gz BYCICSNSXFDEHE-UONOGXRCSA-N 0 1 282.815 3.591 20 0 CHADMN Cc1ncc(CN[C@H]2CC[C@@H](C)c3ccccc32)o1 ZINC000335282540 1119363731 /nfs/dbraw/zinc/36/37/31/1119363731.db2.gz ZHDRALPHJUGUIR-BZNIZROVSA-N 0 1 256.349 3.711 20 0 CHADMN CC1(C)C[C@@H](N(Cc2ccccc2)Cc2ccncc2)CO1 ZINC000661193213 1119368245 /nfs/dbraw/zinc/36/82/45/1119368245.db2.gz FIWUKHFBGCXXND-GOSISDBHSA-N 0 1 296.414 3.651 20 0 CHADMN C/C(=C/c1ccccc1)C[N@H+](C)Cc1cccnc1C ZINC000583593233 1119382197 /nfs/dbraw/zinc/38/21/97/1119382197.db2.gz QPZLANMRBOSJMW-QINSGFPZSA-N 0 1 266.388 3.925 20 0 CHADMN CCC[C@H](NCc1nc(C)c(C)[nH]1)c1ccccc1 ZINC000583642028 1119388818 /nfs/dbraw/zinc/38/88/18/1119388818.db2.gz LZPOJXRUMBNKHS-HNNXBMFYSA-N 0 1 257.381 3.658 20 0 CHADMN NC1(c2noc(C(C3CCC3)C3CCC3)n2)CCCCC1 ZINC000261643137 1119391745 /nfs/dbraw/zinc/39/17/45/1119391745.db2.gz IXZZMHGEWNERTD-UHFFFAOYSA-N 0 1 289.423 3.872 20 0 CHADMN CC(C)n1cncc1CN1CC[C@@H](C)[C@@H]2CCCC[C@@H]21 ZINC000583689608 1119395572 /nfs/dbraw/zinc/39/55/72/1119395572.db2.gz CFGOCEPLDDYTMB-PVAVHDDUSA-N 0 1 275.440 3.865 20 0 CHADMN Fc1ccc2c(c1)C[C@@H]1[C@H](NCc3c(F)cccc3F)[C@H]21 ZINC000657785813 1119401950 /nfs/dbraw/zinc/40/19/50/1119401950.db2.gz HWSRBJGHRZUKND-VUCTXSBTSA-N 0 1 289.300 3.532 20 0 CHADMN Cc1cccc(CN(C)Cc2cc(Cl)cc(C)n2)c1 ZINC001236635634 1128843864 /nfs/dbraw/zinc/84/38/64/1128843864.db2.gz LIXFNCXWXWCKMI-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1nc(-c2ccc(F)cc2)no1 ZINC000661236647 1119407595 /nfs/dbraw/zinc/40/75/95/1119407595.db2.gz VOIAQQRAJBIQDC-NSHDSACASA-N 0 1 291.370 3.790 20 0 CHADMN COc1ccc(CN(C)Cc2ccncc2C)cc1Cl ZINC000583799628 1119415358 /nfs/dbraw/zinc/41/53/58/1119415358.db2.gz PNZHOZIYSUGKJH-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN COc1cccc(CNCc2cc(C)ccc2F)c1C ZINC000657805423 1119431792 /nfs/dbraw/zinc/43/17/92/1119431792.db2.gz XMEVPYTXROKCKH-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN COc1ccccc1[C@H]1CCCN1Cc1ccc(C)cn1 ZINC000158185426 1119436885 /nfs/dbraw/zinc/43/68/85/1119436885.db2.gz FCPFJLJPDJHOHP-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN COc1cccc(CN(Cc2cnc(C)o2)CC(C)C)c1 ZINC000628142739 1119441774 /nfs/dbraw/zinc/44/17/74/1119441774.db2.gz OBEUYGOSJYOXJW-UHFFFAOYSA-N 0 1 288.391 3.650 20 0 CHADMN Cc1ccccc1C1(N[C@H](C)c2ccc(F)cn2)CC1 ZINC000647316513 1119442044 /nfs/dbraw/zinc/44/20/44/1119442044.db2.gz OBLYLKXDRJVEBX-CYBMUJFWSA-N 0 1 270.351 3.869 20 0 CHADMN Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000343531895 1119444317 /nfs/dbraw/zinc/44/43/17/1119444317.db2.gz GNHXCCUDKNLNLB-GOEBONIOSA-N 0 1 261.413 3.537 20 0 CHADMN CCC[N@H+](Cc1cn(C(C)C)nc1C)C[C@@H]1CCCCO1 ZINC000343531560 1119444434 /nfs/dbraw/zinc/44/44/34/1119444434.db2.gz KQKKODNQZXIZHU-KRWDZBQOSA-N 0 1 293.455 3.554 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3[nH]ccc3c2)C[C@@H](CC)O1 ZINC000628315482 1128846504 /nfs/dbraw/zinc/84/65/04/1128846504.db2.gz MOZSYHKSTYKMOX-HZPDHXFCSA-N 0 1 272.392 3.557 20 0 CHADMN CC(C)(CF)NCc1cc(Cl)cc(Cl)c1 ZINC000380182408 1119446812 /nfs/dbraw/zinc/44/68/12/1119446812.db2.gz GHCWUFRCCXZVOB-UHFFFAOYSA-N 0 1 250.144 3.831 20 0 CHADMN C[C@H](N[C@H]1CCCn2nccc21)c1ccccc1Cl ZINC000657816286 1119453492 /nfs/dbraw/zinc/45/34/92/1119453492.db2.gz LXWSHINPFJFYCI-FZMZJTMJSA-N 0 1 275.783 3.722 20 0 CHADMN Cc1nc(C)c(CNCc2cccc3ccsc32)o1 ZINC000628323232 1128847158 /nfs/dbraw/zinc/84/71/58/1128847158.db2.gz HKOZKPLCUCIGGW-UHFFFAOYSA-N 0 1 272.373 3.796 20 0 CHADMN CN(Cc1csc(C(F)(F)F)c1)C[C@@H]1CCCCO1 ZINC000628153344 1119458416 /nfs/dbraw/zinc/45/84/16/1119458416.db2.gz LIYRLFKTBUMHER-NSHDSACASA-N 0 1 293.354 3.768 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1cnc2cccc(C)n12 ZINC000584021447 1119461184 /nfs/dbraw/zinc/46/11/84/1119461184.db2.gz VDQNZVACCQUPNC-KRWDZBQOSA-N 0 1 294.402 3.621 20 0 CHADMN CN(C/C=C\c1ccc(F)cc1F)Cc1ccoc1 ZINC000349977608 1119462592 /nfs/dbraw/zinc/46/25/92/1119462592.db2.gz RLPGJXMNIFRKLZ-IHWYPQMZSA-N 0 1 263.287 3.703 20 0 CHADMN Fc1cccc(Cl)c1CNC[C@@H]1CC1(Cl)Cl ZINC000309552846 1119466099 /nfs/dbraw/zinc/46/60/99/1119466099.db2.gz GMJBZRWJWUDWJC-ZETCQYMHSA-N 0 1 282.573 3.763 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000343595321 1119466437 /nfs/dbraw/zinc/46/64/37/1119466437.db2.gz AIILJYPCUXBNHQ-AAEUAGOBSA-N 0 1 289.345 3.545 20 0 CHADMN CCSCC[C@H](C)[N@@H+](C)Cc1cn(C(C)C)nc1C ZINC000343600043 1119467262 /nfs/dbraw/zinc/46/72/62/1119467262.db2.gz LNOGLVWPOBDVLA-ZDUSSCGKSA-N 0 1 283.485 3.736 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000565101994 1119471382 /nfs/dbraw/zinc/47/13/82/1119471382.db2.gz CAYZNHZNQZWZQG-SFHVURJKSA-N 0 1 285.387 3.707 20 0 CHADMN Cc1nc(CN[C@H]2CCC[C@@H]2c2ccccc2)oc1C ZINC000133707462 1119474585 /nfs/dbraw/zinc/47/45/85/1119474585.db2.gz MWNCLPHMIMVHHF-CVEARBPZSA-N 0 1 270.376 3.717 20 0 CHADMN COc1ccc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)c(F)c1 ZINC000628391916 1128852916 /nfs/dbraw/zinc/85/29/16/1128852916.db2.gz HWOYZEGOUXQJGJ-QWRGUYRKSA-N 0 1 287.325 3.557 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCC1CCCC1 ZINC000248515460 1119484306 /nfs/dbraw/zinc/48/43/06/1119484306.db2.gz GBEJZUBMTLDYOG-XHSDSOJGSA-N 0 1 279.424 3.675 20 0 CHADMN COc1ccnc(CN[C@H](C)c2cccc(C)c2C)c1 ZINC000343703756 1119490578 /nfs/dbraw/zinc/49/05/78/1119490578.db2.gz ZQOSPDHJGFZEHQ-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1cc(F)c(F)c(F)c1 ZINC000584318847 1119498662 /nfs/dbraw/zinc/49/86/62/1119498662.db2.gz DNUQJFSRKUUNFZ-MWLCHTKSSA-N 0 1 257.299 3.867 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)N[C@H]1CCCn2nccc21 ZINC000657839348 1119502342 /nfs/dbraw/zinc/50/23/42/1119502342.db2.gz SLCKSTKBQDYXGW-HOCLYGCPSA-N 0 1 299.418 3.856 20 0 CHADMN CCCCOc1cccc(CN[C@@H]2CCCn3nccc32)c1 ZINC000657840465 1119502933 /nfs/dbraw/zinc/50/29/33/1119502933.db2.gz QXHFDAKOPSEOTJ-QGZVFWFLSA-N 0 1 299.418 3.687 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080961282 1119507456 /nfs/dbraw/zinc/50/74/56/1119507456.db2.gz GGOAKAXPQADDHA-YPMHNXCESA-N 0 1 291.345 3.629 20 0 CHADMN CC(C)(NCc1cncs1)c1ccc(Cl)cc1 ZINC000136028695 1119514307 /nfs/dbraw/zinc/51/43/07/1119514307.db2.gz TYDQIRZNPKQRLO-UHFFFAOYSA-N 0 1 266.797 3.821 20 0 CHADMN Cc1nc2ccc(NC(=O)CC3CCCCC3)cc2[nH]1 ZINC000082283397 1119523121 /nfs/dbraw/zinc/52/31/21/1119523121.db2.gz OLJABRWDGHHUQV-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN COc1cc(CN[C@@H](C)c2cc3cnccc3o2)ccc1C ZINC000657856543 1119529940 /nfs/dbraw/zinc/52/99/40/1119529940.db2.gz OGKAWIOXGVSXHU-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN CC(C)c1noc(CN[C@H]2CCCCC23CCCC3)n1 ZINC000329803451 1119532152 /nfs/dbraw/zinc/53/21/52/1119532152.db2.gz JRVJANWPYJBMJO-ZDUSSCGKSA-N 0 1 277.412 3.786 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H](CO)c2ccsc2)c2ccccc21 ZINC000343790900 1119536014 /nfs/dbraw/zinc/53/60/14/1119536014.db2.gz INTPCJZLUVRLGY-RLCCDNCMSA-N 0 1 273.401 3.620 20 0 CHADMN CCO[C@H]1C[C@@H](N[C@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000926564523 1119543108 /nfs/dbraw/zinc/54/31/08/1119543108.db2.gz VEBJHBYMJJKDLF-ZIFCJYIRSA-N 0 1 296.414 3.637 20 0 CHADMN CC(C)CCc1ccc(NC(=O)[C@H]2CCCCN2C)cc1 ZINC000600974873 1119543419 /nfs/dbraw/zinc/54/34/19/1119543419.db2.gz DSQQPDXLPNJGKS-QGZVFWFLSA-N 0 1 288.435 3.698 20 0 CHADMN CCc1ccc([C@H](CO)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000090844245 1119549500 /nfs/dbraw/zinc/54/95/00/1119549500.db2.gz BNXMRNPLEFXEAU-ACJLOTCBSA-N 0 1 287.378 3.772 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2CCc3c2cccc3Cl)o1 ZINC000628209714 1119550239 /nfs/dbraw/zinc/55/02/39/1119550239.db2.gz PZDGZTYXIMUYGF-CQSZACIVSA-N 0 1 276.767 3.722 20 0 CHADMN FC(F)(F)c1ccccc1CN[C@H]1CCCn2nccc21 ZINC000657862163 1119553248 /nfs/dbraw/zinc/55/32/48/1119553248.db2.gz OAILBXSTEWKIGE-ZDUSSCGKSA-N 0 1 295.308 3.527 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)c(F)c1 ZINC000250902881 1119553491 /nfs/dbraw/zinc/55/34/91/1119553491.db2.gz UFIIRRUGAPDNJM-JSGCOSHPSA-N 0 1 291.366 3.536 20 0 CHADMN Cc1ccc([C@@H](NCc2cn3ccsc3n2)C2CC2)cc1 ZINC000091309022 1119555071 /nfs/dbraw/zinc/55/50/71/1119555071.db2.gz YPCPVUZIEPLVHR-MRXNPFEDSA-N 0 1 297.427 3.945 20 0 CHADMN CCc1noc(CC)c1CN[C@@H](c1cccnc1)C(C)C ZINC000091369373 1119555730 /nfs/dbraw/zinc/55/57/30/1119555730.db2.gz ASEHOLAIBWVIRI-QGZVFWFLSA-N 0 1 287.407 3.681 20 0 CHADMN CCc1cc(CN[C@@H](c2ccc(OC)cc2)C(C)C)on1 ZINC000091346051 1119555787 /nfs/dbraw/zinc/55/57/87/1119555787.db2.gz MGPQVWJZRBIHPV-QGZVFWFLSA-N 0 1 288.391 3.733 20 0 CHADMN Fc1ccc([C@@H]2CCCN(CC3(F)CC3)C2)cc1F ZINC000628394581 1128854349 /nfs/dbraw/zinc/85/43/49/1128854349.db2.gz ZOUGWUPANNPJFW-GFCCVEGCSA-N 0 1 269.310 3.646 20 0 CHADMN CC(C)C[C@@H](C)n1cc([C@@H](N)c2ccc(Cl)cc2)nn1 ZINC000641095744 1119564456 /nfs/dbraw/zinc/56/44/56/1119564456.db2.gz WINAKULSDGRJKC-ABAIWWIYSA-N 0 1 292.814 3.587 20 0 CHADMN CCc1ncc(CN2CCCC[C@H]2c2cccn2C)s1 ZINC000093845301 1119572944 /nfs/dbraw/zinc/57/29/44/1119572944.db2.gz YBCXUZASYXGAMT-HNNXBMFYSA-N 0 1 289.448 3.771 20 0 CHADMN CCOc1ccc(CNc2ccc3c[nH]nc3c2)cc1OC ZINC000315785103 1119581435 /nfs/dbraw/zinc/58/14/35/1119581435.db2.gz XGNDYUYZNOQENF-UHFFFAOYSA-N 0 1 297.358 3.582 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c1Cl ZINC000403485740 1119583168 /nfs/dbraw/zinc/58/31/68/1119583168.db2.gz UERVZWDARPOJSN-NTZNESFSSA-N 0 1 265.784 3.571 20 0 CHADMN CCCC[N@@H+](CC)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000212262044 1119587307 /nfs/dbraw/zinc/58/73/07/1119587307.db2.gz ZMYMHMZKDSVSAH-CYBMUJFWSA-N 0 1 287.762 3.727 20 0 CHADMN O=C(Nc1cccc2[nH]ccc21)c1ccc(O)c(Cl)c1 ZINC000171274531 1119590885 /nfs/dbraw/zinc/59/08/85/1119590885.db2.gz XXOBWQPLVGSLKZ-UHFFFAOYSA-N 0 1 286.718 3.779 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@H](CCO)c1ccccc1F ZINC000647345111 1119598291 /nfs/dbraw/zinc/59/82/91/1119598291.db2.gz DWCVIFSJRMADAN-KBXCAEBGSA-N 0 1 287.378 3.908 20 0 CHADMN CCc1ccc([C@@H]2CCCCCN2Cc2cncnc2)o1 ZINC000129036476 1119598670 /nfs/dbraw/zinc/59/86/70/1119598670.db2.gz GAJDTMFADXZDTE-INIZCTEOSA-N 0 1 285.391 3.749 20 0 CHADMN CC(C)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000923774037 1119601188 /nfs/dbraw/zinc/60/11/88/1119601188.db2.gz TUDDQUFXZJYQBJ-CYBMUJFWSA-N 0 1 291.782 3.935 20 0 CHADMN Cc1cc(N2CCC[C@H]2CF)c2cc(F)ccc2n1 ZINC000338804531 1119602066 /nfs/dbraw/zinc/60/20/66/1119602066.db2.gz AFEOUGQWXGHZSW-LBPRGKRZSA-N 0 1 262.303 3.621 20 0 CHADMN C[C@H](CCN1Cc2ccc(O)cc2C1)c1ccccc1 ZINC000628419122 1128857161 /nfs/dbraw/zinc/85/71/61/1128857161.db2.gz MTLNXMBWKMPGCX-CQSZACIVSA-N 0 1 267.372 3.902 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1n[nH]c2ccccc12 ZINC000685469964 1119612789 /nfs/dbraw/zinc/61/27/89/1119612789.db2.gz ZCKVDEDPEOXGNB-KRWDZBQOSA-N 0 1 280.375 3.541 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1[nH]nc2ccccc21 ZINC000685469964 1119612790 /nfs/dbraw/zinc/61/27/90/1119612790.db2.gz ZCKVDEDPEOXGNB-KRWDZBQOSA-N 0 1 280.375 3.541 20 0 CHADMN CC1(C)CN(Cc2ccc(O)cc2)Cc2ccccc2O1 ZINC000685476927 1119614017 /nfs/dbraw/zinc/61/40/17/1119614017.db2.gz PBNQIXRPHMYTQW-UHFFFAOYSA-N 0 1 283.371 3.565 20 0 CHADMN CCN1CCC[C@H]1c1cc(Br)ccc1OC ZINC000101556852 1119658898 /nfs/dbraw/zinc/65/88/98/1119658898.db2.gz FZBNSOHNHIYHDI-LBPRGKRZSA-N 0 1 284.197 3.615 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2ccc(C)c(C)c2)n1 ZINC000051574429 1119623021 /nfs/dbraw/zinc/62/30/21/1119623021.db2.gz VKUJUDAGRQJLDV-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN COc1ccc([C@@H](NCc2cccc(C)n2)C2CC2)cc1 ZINC000051575362 1119623242 /nfs/dbraw/zinc/62/32/42/1119623242.db2.gz DPADYYKZHSZIRS-SFHVURJKSA-N 0 1 282.387 3.640 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2cccc(OC(F)F)c2)n1 ZINC000051574957 1119623254 /nfs/dbraw/zinc/62/32/54/1119623254.db2.gz XDRWFSZGXGQTDY-LBPRGKRZSA-N 0 1 292.329 3.842 20 0 CHADMN Cc1cc(CN2CCC[C@@H]3C[C@@H]32)cc(C(F)(F)F)c1 ZINC001143458573 1119623588 /nfs/dbraw/zinc/62/35/88/1119623588.db2.gz PTKRVMSHZKFTJD-OCCSQVGLSA-N 0 1 269.310 3.998 20 0 CHADMN CC[C@H](C)[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000172693534 1119626465 /nfs/dbraw/zinc/62/64/65/1119626465.db2.gz UJDXSVUMVKAUFC-FZMZJTMJSA-N 0 1 298.224 3.621 20 0 CHADMN CC[C@H](C)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000172693534 1119626468 /nfs/dbraw/zinc/62/64/68/1119626468.db2.gz UJDXSVUMVKAUFC-FZMZJTMJSA-N 0 1 298.224 3.621 20 0 CHADMN COCCN(Cc1oc(C)nc1C)[C@@H](C)c1ccccc1 ZINC000685562068 1119630836 /nfs/dbraw/zinc/63/08/36/1119630836.db2.gz WRKWOEKREDVJOZ-AWEZNQCLSA-N 0 1 288.391 3.501 20 0 CHADMN CCCCO[C@H]1C[C@H](N(C)Cc2oc(C)nc2C)C1(C)C ZINC000685568782 1119632686 /nfs/dbraw/zinc/63/26/86/1119632686.db2.gz ZIANSPMCNPOVLB-HOTGVXAUSA-N 0 1 294.439 3.707 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1oc(C)nc1C ZINC000685575891 1119634197 /nfs/dbraw/zinc/63/41/97/1119634197.db2.gz TXMVOODEPSXRAN-RAXLEYEMSA-N 0 1 270.376 3.827 20 0 CHADMN C[C@@H]1CN(CCc2c(F)cccc2Cl)CCC1(F)F ZINC000685591104 1119635662 /nfs/dbraw/zinc/63/56/62/1119635662.db2.gz NMOGKCJQQWFJQH-SNVBAGLBSA-N 0 1 291.744 3.999 20 0 CHADMN CC1(C2CC2)CCN(Cc2ccc(Cl)cn2)CC1 ZINC000685597097 1119636279 /nfs/dbraw/zinc/63/62/79/1119636279.db2.gz DVGIXNRBAHKIBD-UHFFFAOYSA-N 0 1 264.800 3.747 20 0 CHADMN Cc1c[nH]nc1CNCc1cccc(-c2cccc(C)c2)c1 ZINC000685614859 1119638667 /nfs/dbraw/zinc/63/86/67/1119638667.db2.gz DPJQSWQKLLKEOP-UHFFFAOYSA-N 0 1 291.398 3.983 20 0 CHADMN CCCOc1ccc(Cl)cc1NCc1[nH]ncc1C ZINC000685618867 1119639065 /nfs/dbraw/zinc/63/90/65/1119639065.db2.gz UAGKNPHNCXVDSH-UHFFFAOYSA-N 0 1 279.771 3.772 20 0 CHADMN CCCOc1ccc(C(C)(C)NCc2n[nH]cc2C)cc1 ZINC000685621817 1119639165 /nfs/dbraw/zinc/63/91/65/1119639165.db2.gz PLLFUVWLXJJVNQ-UHFFFAOYSA-N 0 1 287.407 3.532 20 0 CHADMN CN(CC(=O)c1ccccc1)[C@H]1CCCC(C)(C)C1 ZINC000708677539 1119640526 /nfs/dbraw/zinc/64/05/26/1119640526.db2.gz SWVIKYPVGRMBSC-HNNXBMFYSA-N 0 1 259.393 3.770 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](C)c1ccc(F)c2ccccc21 ZINC000685623216 1119640663 /nfs/dbraw/zinc/64/06/63/1119640663.db2.gz UJZAJVRUAYNPBZ-LBPRGKRZSA-N 0 1 283.350 3.861 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cnccc2C)cc1O ZINC000685649719 1119644345 /nfs/dbraw/zinc/64/43/45/1119644345.db2.gz UALFIIKWFIIIKS-CHWSQXEVSA-N 0 1 286.375 3.516 20 0 CHADMN Fc1ccc(C2(N[C@@H]3CCCn4nccc43)CCC2)cc1 ZINC000657943048 1119649008 /nfs/dbraw/zinc/64/90/08/1119649008.db2.gz NHUCMUPACPNBLZ-OAHLLOKOSA-N 0 1 285.366 3.526 20 0 CHADMN CC[C@@H](C)c1cccc(NC(=O)[C@H](C)Cc2cnc[nH]2)c1 ZINC000628430673 1128860213 /nfs/dbraw/zinc/86/02/13/1128860213.db2.gz FFZQUTKLSZRFQG-CHWSQXEVSA-N 0 1 285.391 3.741 20 0 CHADMN CCOc1ccc(NCc2[nH]nc3ccccc32)cc1 ZINC000694015321 1119651000 /nfs/dbraw/zinc/65/10/00/1119651000.db2.gz AIAOAQXFAPLJDW-UHFFFAOYSA-N 0 1 267.332 3.574 20 0 CHADMN C[C@@H](Cc1ccsc1)N(C)Cc1nc2ccccc2n1C ZINC000081599500 1119658362 /nfs/dbraw/zinc/65/83/62/1119658362.db2.gz FPHDBDAGMUXXHZ-ZDUSSCGKSA-N 0 1 299.443 3.698 20 0 CHADMN CC(F)(F)c1ccc(CN[C@H]2CCCn3nccc32)cc1 ZINC000658022598 1119667286 /nfs/dbraw/zinc/66/72/86/1119667286.db2.gz BGCDYTVRYKWIKJ-AWEZNQCLSA-N 0 1 291.345 3.620 20 0 CHADMN Clc1cc(Cl)cc(CN[C@@H]2CCCn3nccc32)c1 ZINC000658055204 1119676432 /nfs/dbraw/zinc/67/64/32/1119676432.db2.gz MVXRCHUXYNDITF-CYBMUJFWSA-N 0 1 296.201 3.815 20 0 CHADMN CC[C@@H](COCC1CC1)N[C@H](C)c1nc(C)sc1C ZINC000658092160 1119681080 /nfs/dbraw/zinc/68/10/80/1119681080.db2.gz XVEKBZKZOCAKIL-YGRLFVJLSA-N 0 1 282.453 3.616 20 0 CHADMN Cc1cc([C@H](C)NCc2cccnc2N2CCCC2)c(C)o1 ZINC000658104612 1119686009 /nfs/dbraw/zinc/68/60/09/1119686009.db2.gz YAQMIDPRPHHWTO-AWEZNQCLSA-N 0 1 299.418 3.742 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@@H](c1ccccc1F)C(C)C ZINC000658165807 1119695185 /nfs/dbraw/zinc/69/51/85/1119695185.db2.gz GZSUYFVMZQLPRU-BDJLRTHQSA-N 0 1 275.371 3.905 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1c(C2CC2)cnn1C ZINC000658212860 1119701979 /nfs/dbraw/zinc/70/19/79/1119701979.db2.gz KKWDKIANVHDWTD-CYBMUJFWSA-N 0 1 299.418 3.547 20 0 CHADMN C[C@@]1(CN[C@H](c2ccccc2)c2ccccn2)CC1(F)F ZINC000658221172 1119703612 /nfs/dbraw/zinc/70/36/12/1119703612.db2.gz SBTGULHWRFKKMS-CVEARBPZSA-N 0 1 288.341 3.806 20 0 CHADMN C[C@]1(CN[C@@H](c2ccccc2)c2ccccn2)CC1(F)F ZINC000658221175 1119703872 /nfs/dbraw/zinc/70/38/72/1119703872.db2.gz SBTGULHWRFKKMS-JKSUJKDBSA-N 0 1 288.341 3.806 20 0 CHADMN Fc1ccc([C@@H](NCCCC2CCC2)c2ncc[nH]2)cc1 ZINC000658224716 1119706027 /nfs/dbraw/zinc/70/60/27/1119706027.db2.gz VBZNIEMZCMCERT-MRXNPFEDSA-N 0 1 287.382 3.808 20 0 CHADMN Cc1cc([C@@H](C)NCc2c(C3CC3)cnn2C)c(C)s1 ZINC000658214902 1119708295 /nfs/dbraw/zinc/70/82/95/1119708295.db2.gz CXDBJCYSNASBNR-LLVKDONJSA-N 0 1 289.448 3.827 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H]1C[C@H](C)n3ccnc31)[C@H](C)C2 ZINC000658244927 1119711043 /nfs/dbraw/zinc/71/10/43/1119711043.db2.gz NYDHZUCUBOSVBX-GFOFROLCSA-N 0 1 281.403 3.720 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@H]1CCc2ccc(O)cc21 ZINC000658234987 1119712449 /nfs/dbraw/zinc/71/24/49/1119712449.db2.gz BTJNUPVZYOUOFV-YGRLFVJLSA-N 0 1 289.400 3.800 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H]2CCc3ccc(O)cc32)o1 ZINC000658234516 1119712603 /nfs/dbraw/zinc/71/26/03/1119712603.db2.gz AQFYQTCVJDUJIH-BZNIZROVSA-N 0 1 271.360 3.886 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CC[C@@H]2c2ccccc2)no1 ZINC000658263043 1119713158 /nfs/dbraw/zinc/71/31/58/1119713158.db2.gz FYSMJOQDOGTRQG-BPLDGKMQSA-N 0 1 256.349 3.580 20 0 CHADMN C[C@H](N[C@H]1C[C@H](OC(C)(C)C)C12CCC2)c1cscn1 ZINC000658254361 1119714157 /nfs/dbraw/zinc/71/41/57/1119714157.db2.gz PRQDTCSEDSDGHK-UBHSHLNASA-N 0 1 294.464 3.920 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2C[C@H](OC(C)(C)C)C23CCC3)no1 ZINC000658255919 1119714322 /nfs/dbraw/zinc/71/43/22/1119714322.db2.gz WUFUFKUQBIIRBY-QEJZJMRPSA-N 0 1 292.423 3.760 20 0 CHADMN COc1cccc([C@H](C)NCc2c(C3CCC3)cnn2C)c1 ZINC000658268368 1119716079 /nfs/dbraw/zinc/71/60/79/1119716079.db2.gz HMBYQRLAVFCTOX-ZDUSSCGKSA-N 0 1 299.418 3.547 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](c2ccccc2)[C@H](O)C(C)C)o1 ZINC000658286884 1119717969 /nfs/dbraw/zinc/71/79/69/1119717969.db2.gz CQEWCRVNPYDMFO-BMGDILEWSA-N 0 1 287.403 3.997 20 0 CHADMN CC=C(C)C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000255690152 1119725843 /nfs/dbraw/zinc/72/58/43/1119725843.db2.gz AVYAETTZVQKEIZ-KMKOMSMNSA-N 0 1 281.315 3.728 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccccc2C)o1 ZINC000892433082 1119730814 /nfs/dbraw/zinc/73/08/14/1119730814.db2.gz YDPGZWDCKJUFSN-CYBMUJFWSA-N 0 1 259.349 3.838 20 0 CHADMN CC[C@H](N[C@H](c1ccccc1)[C@H](C)O)c1ccccc1F ZINC000658358974 1119730867 /nfs/dbraw/zinc/73/08/67/1119730867.db2.gz BOVBZKUMKIFGIX-KKXDTOCCSA-N 0 1 287.378 3.989 20 0 CHADMN CC(C)O[C@H](CN1CCC[C@H]1CF)c1ccccc1 ZINC000339673341 1119733603 /nfs/dbraw/zinc/73/36/03/1119733603.db2.gz SQYLIYKPVADIHF-JKSUJKDBSA-N 0 1 265.372 3.587 20 0 CHADMN OC[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000339745723 1119734605 /nfs/dbraw/zinc/73/46/05/1119734605.db2.gz JQIGYGUXBDSSOU-LLVKDONJSA-N 0 1 288.218 3.588 20 0 CHADMN CC[C@@H](NCc1ccnc(OC)c1F)c1ccc(C)cc1 ZINC000892438748 1119736658 /nfs/dbraw/zinc/73/66/58/1119736658.db2.gz NEWWKLFIAXLIQE-OAHLLOKOSA-N 0 1 288.366 3.779 20 0 CHADMN CCCN(Cc1cnc(C)o1)[C@@H]1CCCc2cccnc21 ZINC000628240378 1119737595 /nfs/dbraw/zinc/73/75/95/1119737595.db2.gz BSVNGUHMMZSBOJ-MRXNPFEDSA-N 0 1 285.391 3.668 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cnc(F)cc1C ZINC000892463216 1119745420 /nfs/dbraw/zinc/74/54/20/1119745420.db2.gz XMJVCVCYSUTSBH-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN COc1ccc([C@@H](NCc2nccn2C2CC2)C(C)C)cc1 ZINC000892468362 1119746774 /nfs/dbraw/zinc/74/67/74/1119746774.db2.gz SDJVODCEGBPPFK-SFHVURJKSA-N 0 1 299.418 3.714 20 0 CHADMN CCCNc1ccc(CN[C@@H](C)c2ccoc2)cc1 ZINC000193357809 1119747806 /nfs/dbraw/zinc/74/78/06/1119747806.db2.gz HJSQZAJGWJTCAT-ZDUSSCGKSA-N 0 1 258.365 3.952 20 0 CHADMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1cnc(C)o1 ZINC000628234487 1119756679 /nfs/dbraw/zinc/75/66/79/1119756679.db2.gz CHNFDFGTLHIHTP-MEBBXXQBSA-N 0 1 294.782 3.502 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@@H]1CCCc2n[nH]cc21 ZINC000375806340 1119757332 /nfs/dbraw/zinc/75/73/32/1119757332.db2.gz PFDQNZBDNNZBPX-BXUZGUMPSA-N 0 1 287.432 3.860 20 0 CHADMN C[C@H](C(=O)Nc1ccc2nc[nH]c2c1)c1cccc(Cl)c1 ZINC000511334857 1119759064 /nfs/dbraw/zinc/75/90/64/1119759064.db2.gz RFVPWCUUDDJCIZ-JTQLQIEISA-N 0 1 299.761 3.959 20 0 CHADMN CCOc1ccc([C@H](C)NCc2cnn(C)c2C2CC2)cc1 ZINC000892479510 1119763269 /nfs/dbraw/zinc/76/32/69/1119763269.db2.gz FKLKKAVKAVEBES-ZDUSSCGKSA-N 0 1 299.418 3.547 20 0 CHADMN C[N@@H+](Cc1ccccc1Cl)C[C@@](C)(O)c1ccccc1 ZINC000051953728 1119767480 /nfs/dbraw/zinc/76/74/80/1119767480.db2.gz PONFCKAUFLFUBK-QGZVFWFLSA-N 0 1 289.806 3.680 20 0 CHADMN CN(Cc1ccccc1Cl)C[C@@](C)(O)c1ccccc1 ZINC000051953728 1119767483 /nfs/dbraw/zinc/76/74/83/1119767483.db2.gz PONFCKAUFLFUBK-QGZVFWFLSA-N 0 1 289.806 3.680 20 0 CHADMN c1cc2cc(C[N@H+]3CCc4sccc4C3)ccc2[nH]1 ZINC000206621058 1119781959 /nfs/dbraw/zinc/78/19/59/1119781959.db2.gz ZEEHXYGWJQBELC-UHFFFAOYSA-N 0 1 268.385 3.788 20 0 CHADMN c1cc2cc(CN3CCc4sccc4C3)ccc2[nH]1 ZINC000206621058 1119781962 /nfs/dbraw/zinc/78/19/62/1119781962.db2.gz ZEEHXYGWJQBELC-UHFFFAOYSA-N 0 1 268.385 3.788 20 0 CHADMN c1cnc2c(c1)CC[C@H](Nc1ccc3cnccc3c1)CC2 ZINC000631154800 1119782648 /nfs/dbraw/zinc/78/26/48/1119782648.db2.gz HYGDOXCPLLPCSP-KRWDZBQOSA-N 0 1 289.382 3.989 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN(C)CC2=CCSC2)o1 ZINC000668775965 1119791297 /nfs/dbraw/zinc/79/12/97/1119791297.db2.gz VAEJESZEVCAYGG-RISCZKNCSA-N 0 1 263.406 3.508 20 0 CHADMN Cc1nc(C)c(CN[C@H](c2ccc(C)cc2)C2CC2)o1 ZINC000312468064 1119793701 /nfs/dbraw/zinc/79/37/01/1119793701.db2.gz FWNBKROJGDJTNB-QGZVFWFLSA-N 0 1 270.376 3.841 20 0 CHADMN C[N@@H+](CCCCc1ccccc1)Cc1ccccc1C(=O)[O-] ZINC000570051413 1119794868 /nfs/dbraw/zinc/79/48/68/1119794868.db2.gz OYSQLIURJANWNB-UHFFFAOYSA-N 0 1 297.398 3.840 20 0 CHADMN CCC[C@@](C)(CC)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375963784 1119795806 /nfs/dbraw/zinc/79/58/06/1119795806.db2.gz LHKGTXLGDJVDOU-QGZVFWFLSA-N 0 1 291.439 3.641 20 0 CHADMN C#CCN(Cc1nc2ccccc2o1)C1CCCCC1 ZINC000065960634 1119796560 /nfs/dbraw/zinc/79/65/60/1119796560.db2.gz PQDGAPULKYGXFW-UHFFFAOYSA-N 0 1 268.360 3.596 20 0 CHADMN CCCCC[N@@H+](Cc1oncc1C(=O)[O-])[C@H](C)CCC ZINC000570100876 1119799208 /nfs/dbraw/zinc/79/92/08/1119799208.db2.gz YSYFSESHKHZPIU-GFCCVEGCSA-N 0 1 282.384 3.554 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(OC(F)F)cc2)o1 ZINC000892506667 1119806697 /nfs/dbraw/zinc/80/66/97/1119806697.db2.gz IFPVTVVGDUYOSL-JTQLQIEISA-N 0 1 297.301 3.740 20 0 CHADMN Cc1[nH]ncc1CN(C)C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000636076670 1119812725 /nfs/dbraw/zinc/81/27/25/1119812725.db2.gz GAFYGYKUEMLVKO-QGZVFWFLSA-N 0 1 299.418 3.506 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)C3CC4(CC4)C3)c2C1 ZINC000612710294 1119816074 /nfs/dbraw/zinc/81/60/74/1119816074.db2.gz BPWTYCXNRHIMKX-UHFFFAOYSA-N 0 1 298.430 3.787 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@H](C)c1cc(O)cc(F)c1 ZINC000924558205 1119829620 /nfs/dbraw/zinc/82/96/20/1119829620.db2.gz CXFYKPSFCBWGND-VXGBXAGGSA-N 0 1 289.350 3.952 20 0 CHADMN CC(C)(C)[C@H]1C[C@H](Nc2ccc3c[nH]nc3c2)CCO1 ZINC000721613395 1119853410 /nfs/dbraw/zinc/85/34/10/1119853410.db2.gz LTDLAYAUJHTPLE-UKRRQHHQSA-N 0 1 273.380 3.569 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CCCCCCC1 ZINC000003538913 1119863658 /nfs/dbraw/zinc/86/36/58/1119863658.db2.gz FXJNZXWUEVCJRS-UHFFFAOYSA-N 0 1 288.435 3.762 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc3cnccc3c2)[C@@H]1[C@H]1CCCO1 ZINC000685849542 1119869199 /nfs/dbraw/zinc/86/91/99/1119869199.db2.gz MBVVMRXBOJWRON-QZTJIDSGSA-N 0 1 296.414 3.624 20 0 CHADMN C[C@@H]1CN(Cc2cc3ccccc3[nH]2)CCC1(F)F ZINC000685849286 1119871511 /nfs/dbraw/zinc/87/15/11/1119871511.db2.gz JQNQRUBWPJFDFP-LLVKDONJSA-N 0 1 264.319 3.645 20 0 CHADMN CCC[C@@H](N[C@H](C)c1ccn(C)n1)c1ccccc1 ZINC000414070752 1119879457 /nfs/dbraw/zinc/87/94/57/1119879457.db2.gz SKNDUIYNRUQBKH-CZUORRHYSA-N 0 1 257.381 3.612 20 0 CHADMN C[C@@H](NCc1cccc2ccccc21)c1cc2n(n1)CCC2 ZINC000414075223 1119882870 /nfs/dbraw/zinc/88/28/70/1119882870.db2.gz NOOWNDCEBADFNQ-CQSZACIVSA-N 0 1 291.398 3.833 20 0 CHADMN COc1cccc(CN[C@H](C)c2cccc3c2OCO3)c1C ZINC000926734761 1119894980 /nfs/dbraw/zinc/89/49/80/1119894980.db2.gz SXECXRYNPAYXSV-CYBMUJFWSA-N 0 1 299.370 3.583 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@]2(C)CC=C(C)CC2)c1 ZINC000613285133 1119897107 /nfs/dbraw/zinc/89/71/07/1119897107.db2.gz RVNMAUGHQFRDNH-QGZVFWFLSA-N 0 1 287.359 3.670 20 0 CHADMN COc1cc2c(cc1-c1nc3cccc(C)c3[nH]1)O[C@@H](C)C2 ZINC000613291674 1119898329 /nfs/dbraw/zinc/89/83/29/1119898329.db2.gz WQRZBFCTSMRZMH-NSHDSACASA-N 0 1 294.354 3.870 20 0 CHADMN C[C@H](NCCSc1ccc(Cl)cc1)c1cn(C)cn1 ZINC000924571641 1119901090 /nfs/dbraw/zinc/90/10/90/1119901090.db2.gz NXJKMACPZFYPOC-NSHDSACASA-N 0 1 295.839 3.516 20 0 CHADMN CC[C@@H](C)N(Cc1ccccc1)CN1C[C@@H](CC)CC1=O ZINC000755914452 1119911549 /nfs/dbraw/zinc/91/15/49/1119911549.db2.gz UCOHYWKVPDUPTK-CVEARBPZSA-N 0 1 288.435 3.503 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2CCC[C@H]1C)c1ccn(C)n1 ZINC000414133453 1119912483 /nfs/dbraw/zinc/91/24/83/1119912483.db2.gz NATWTAYPGKQVNR-QWQRMKEZSA-N 0 1 283.419 3.784 20 0 CHADMN CCC[C@H](NCc1ccc(C)c(C)n1)c1cccnc1 ZINC000414163180 1119922246 /nfs/dbraw/zinc/92/22/46/1119922246.db2.gz IJGBWABQHDMMSK-KRWDZBQOSA-N 0 1 269.392 3.724 20 0 CHADMN C[C@H](NCC1CCc2ccccc2CC1)c1ncco1 ZINC000926747111 1119925815 /nfs/dbraw/zinc/92/58/15/1119925815.db2.gz NQUOKVNBSVAJKQ-ZDUSSCGKSA-N 0 1 270.376 3.520 20 0 CHADMN Cc1cc(C)c([C@@H](C)N[C@H](C)c2ccn(C)n2)cc1C ZINC000414175391 1119926920 /nfs/dbraw/zinc/92/69/20/1119926920.db2.gz IEPIVNYFSQUUDF-HUUCEWRRSA-N 0 1 271.408 3.757 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@H]2N[C@@H](C)c1ccn(C)n1 ZINC000414175478 1119927043 /nfs/dbraw/zinc/92/70/43/1119927043.db2.gz IHQHTVWIXBXXDO-DVOMOZLQSA-N 0 1 269.392 3.628 20 0 CHADMN CN(CCc1ccccc1)Cc1cccc(F)c1F ZINC000613452608 1119928884 /nfs/dbraw/zinc/92/88/84/1119928884.db2.gz YWPPVYDMNNCMPI-UHFFFAOYSA-N 0 1 261.315 3.639 20 0 CHADMN CC[C@H](N[C@H](C)c1ccn(C)n1)c1cccc(C)c1 ZINC000414183873 1119929694 /nfs/dbraw/zinc/92/96/94/1119929694.db2.gz NZDGRVHJZYKSRE-HIFRSBDPSA-N 0 1 257.381 3.530 20 0 CHADMN CCC[C@H](N[C@@H](C)c1nc(C2CC2)no1)C(C)(C)C ZINC000414184213 1119930278 /nfs/dbraw/zinc/93/02/78/1119930278.db2.gz NRQFRUXKXOPCQY-JQWIXIFHSA-N 0 1 265.401 3.812 20 0 CHADMN COc1ccc([C@@H](C)NCc2cnc(C)o2)c2ccccc12 ZINC000414189927 1119932854 /nfs/dbraw/zinc/93/28/54/1119932854.db2.gz RBQUADKISWWFHO-GFCCVEGCSA-N 0 1 296.370 3.996 20 0 CHADMN CC(C)OCCN[C@H](C)c1sccc1Br ZINC000134097103 1119938422 /nfs/dbraw/zinc/93/84/22/1119938422.db2.gz ILCDDWFYPCCNNT-SECBINFHSA-N 0 1 292.242 3.586 20 0 CHADMN CCc1ccc([C@H](NCc2ccn(CC)n2)C(C)C)cc1 ZINC000414214798 1119942550 /nfs/dbraw/zinc/94/25/50/1119942550.db2.gz WWAMKDXZUVAPAG-GOSISDBHSA-N 0 1 285.435 3.952 20 0 CHADMN C[C@@H](N[C@H]1CC1(C)C)c1ncc(-c2ccccc2)n1C ZINC000414221987 1119945646 /nfs/dbraw/zinc/94/56/46/1119945646.db2.gz NNNFHLQHIRJRKQ-DOMZBBRYSA-N 0 1 269.392 3.536 20 0 CHADMN Cc1cc(CNCc2ccco2)ccc1C(F)(F)F ZINC000414233931 1119949166 /nfs/dbraw/zinc/94/91/66/1119949166.db2.gz CAHNHVSAYQFGKI-UHFFFAOYSA-N 0 1 269.266 3.897 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@H]2CS[C@H](C)C2)cs1 ZINC000414230837 1119949418 /nfs/dbraw/zinc/94/94/18/1119949418.db2.gz OKVWDDPXGRVSPA-GMTAPVOTSA-N 0 1 270.467 3.811 20 0 CHADMN CCc1ccc(-c2noc(CN(C)[C@H](C)CC)n2)cc1 ZINC000170790652 1119954371 /nfs/dbraw/zinc/95/43/71/1119954371.db2.gz MBGCHWGUKOOHLH-GFCCVEGCSA-N 0 1 273.380 3.529 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cccc(OC(F)F)c2)o1 ZINC000892582711 1119957612 /nfs/dbraw/zinc/95/76/12/1119957612.db2.gz JWNJGYHENXTNGM-JTQLQIEISA-N 0 1 297.301 3.740 20 0 CHADMN COc1ccc(CN[C@H](C)c2cccc(OC(C)C)c2)o1 ZINC000892589114 1119961195 /nfs/dbraw/zinc/96/11/95/1119961195.db2.gz LNAXSIVKBLEKAL-CYBMUJFWSA-N 0 1 289.375 3.926 20 0 CHADMN CCOc1ccc(C[N@@H+](C)[C@@H]2CCc3ccccc32)nc1 ZINC000083596058 1119961925 /nfs/dbraw/zinc/96/19/25/1119961925.db2.gz AJSMSMODZLCZPL-GOSISDBHSA-N 0 1 282.387 3.600 20 0 CHADMN CCCN(Cc1coc(-c2ccc(F)c(F)c2)n1)C1CC1 ZINC000170900721 1119966381 /nfs/dbraw/zinc/96/63/81/1119966381.db2.gz YVQUNUYODDMRDZ-UHFFFAOYSA-N 0 1 292.329 3.994 20 0 CHADMN Cc1c(F)ccc(CN2CCC[C@@]3(CCOC3)C2)c1Cl ZINC001236708926 1128880774 /nfs/dbraw/zinc/88/07/74/1128880774.db2.gz TVOTXLIKSJZVSA-MRXNPFEDSA-N 0 1 297.801 3.790 20 0 CHADMN CCc1ncc(CN[C@H](C)c2oc3ccccc3c2C)cn1 ZINC000414291376 1119967622 /nfs/dbraw/zinc/96/76/22/1119967622.db2.gz OGKOTCCWEOGFFC-CYBMUJFWSA-N 0 1 295.386 3.944 20 0 CHADMN COc1cc(C[N@@H+](C)Cc2cc(C)ccc2C)ccc1O ZINC000170915665 1119969127 /nfs/dbraw/zinc/96/91/27/1119969127.db2.gz NLHGECSEEPAMFO-UHFFFAOYSA-N 0 1 285.387 3.650 20 0 CHADMN C[C@H](N[C@H]1CC[C@H](c2ccccc2)C1)c1csnn1 ZINC000414296818 1119970926 /nfs/dbraw/zinc/97/09/26/1119970926.db2.gz GXDQPQTUQQEIFV-UBHSHLNASA-N 0 1 273.405 3.525 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(OC(C)C)cc2)o1 ZINC000892603492 1119973191 /nfs/dbraw/zinc/97/31/91/1119973191.db2.gz OAHMQOHBIPEORY-CYBMUJFWSA-N 0 1 289.375 3.926 20 0 CHADMN C[C@H](N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1csnn1 ZINC000414300156 1119973556 /nfs/dbraw/zinc/97/35/56/1119973556.db2.gz KUDOVAXHNRURBN-NWANDNLSSA-N 0 1 287.432 3.600 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1cnn(C2CCCC2)c1 ZINC000414309648 1119975424 /nfs/dbraw/zinc/97/54/24/1119975424.db2.gz JSMGMKVQENEQNV-DAXOMENPSA-N 0 1 279.403 3.930 20 0 CHADMN Cc1ccc(CN[C@H](CC(C)C)c2cccs2)nn1 ZINC000414313779 1119978419 /nfs/dbraw/zinc/97/84/19/1119978419.db2.gz KQBOMDJDROPASA-CQSZACIVSA-N 0 1 275.421 3.724 20 0 CHADMN CC(C)(C)c1nc(CN[C@H]2CCC(F)(F)C2)cs1 ZINC000310832430 1119990500 /nfs/dbraw/zinc/99/05/00/1119990500.db2.gz MBAVRPIQUNCJNZ-VIFPVBQESA-N 0 1 274.380 3.718 20 0 CHADMN CCN(Cc1ccoc1C)Cc1ccc(OC)cc1 ZINC000414366808 1120000907 /nfs/dbraw/zinc/00/09/07/1120000907.db2.gz CCDNALHMEFSHTJ-UHFFFAOYSA-N 0 1 259.349 3.619 20 0 CHADMN CCc1ncc(CN(Cc2ccc(F)cc2)C(C)C)cn1 ZINC000414375483 1120006515 /nfs/dbraw/zinc/00/65/15/1120006515.db2.gz YXXXXDBAQZRPOQ-UHFFFAOYSA-N 0 1 287.382 3.589 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cscc1Cl ZINC000636438963 1120007702 /nfs/dbraw/zinc/00/77/02/1120007702.db2.gz QRNCRECMKXPJJU-UHFFFAOYSA-N 0 1 283.784 3.809 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCC[C@H]1[C@H]1CCCO1 ZINC000376488652 1120010934 /nfs/dbraw/zinc/01/09/34/1120010934.db2.gz RWIHOXVOFNXASJ-DLBZAZTESA-N 0 1 286.350 3.522 20 0 CHADMN CCCc1cccc(CNCc2cccc(C)n2)c1 ZINC000187137454 1120012219 /nfs/dbraw/zinc/01/22/19/1120012219.db2.gz YMWXQIFKZGJSDA-UHFFFAOYSA-N 0 1 254.377 3.632 20 0 CHADMN O=C([O-])CCCC[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000181554285 1128887746 /nfs/dbraw/zinc/88/77/46/1128887746.db2.gz SYXUBCBXORYGHX-UHFFFAOYSA-N 0 1 289.419 3.729 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CN1CC(=O)Nc1ccccc1 ZINC000115556212 1120043310 /nfs/dbraw/zinc/04/33/10/1120043310.db2.gz VDOVKRRRIFLGJV-NVXWUHKLSA-N 0 1 294.398 3.503 20 0 CHADMN C/C(=C\c1ccccc1)CNCc1csc(C)n1 ZINC000588178156 1120047622 /nfs/dbraw/zinc/04/76/22/1120047622.db2.gz QXNHFXZKYSKXSR-XYOKQWHBSA-N 0 1 258.390 3.645 20 0 CHADMN Fc1ccc(C2(NCc3cnn(C4CCC4)c3)CCC2)cc1 ZINC000921653694 1120055165 /nfs/dbraw/zinc/05/51/65/1120055165.db2.gz KUVLUOSNHWNHFA-UHFFFAOYSA-N 0 1 299.393 3.916 20 0 CHADMN COCC1(CN2CC[C@](F)(c3ccccc3F)C2)CCC1 ZINC000361376618 1120055722 /nfs/dbraw/zinc/05/57/22/1120055722.db2.gz HDJRKTWJPNLGEG-QGZVFWFLSA-N 0 1 295.373 3.513 20 0 CHADMN CCOc1ccc(CN[C@@H]2CCc3cc(F)ccc32)o1 ZINC000892680637 1120064058 /nfs/dbraw/zinc/06/40/58/1120064058.db2.gz QBXIODJDBAWCRK-OAHLLOKOSA-N 0 1 275.323 3.595 20 0 CHADMN Cc1cc(CN[C@@H]2CSCc3ccccc32)cnc1F ZINC000892682707 1120069603 /nfs/dbraw/zinc/06/96/03/1120069603.db2.gz CWDALCSIMVGQGY-OAHLLOKOSA-N 0 1 288.391 3.607 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cncs2)c(C)c1 ZINC000903311374 1120081344 /nfs/dbraw/zinc/08/13/44/1120081344.db2.gz OUTGCBFIFXKPEQ-RYUDHWBXSA-N 0 1 276.405 3.872 20 0 CHADMN Cc1ccc(CC[N@H+](C)Cc2ccc([O-])c(F)c2F)cc1 ZINC001140894400 1120082006 /nfs/dbraw/zinc/08/20/06/1120082006.db2.gz WWDPNHRGAWEZMY-UHFFFAOYSA-N 0 1 291.341 3.653 20 0 CHADMN C[C@@H](NCc1cn(C)cn1)c1ccc(C2CCC2)cc1 ZINC000903351393 1120087229 /nfs/dbraw/zinc/08/72/29/1120087229.db2.gz KQXKBYNOVJJSTI-CYBMUJFWSA-N 0 1 269.392 3.538 20 0 CHADMN CCC(CC)[C@@H](O)CN[C@H](c1ccccc1)c1ccccn1 ZINC000180521791 1120099667 /nfs/dbraw/zinc/09/96/67/1120099667.db2.gz BSCQSLUDMGGZLD-RBUKOAKNSA-N 0 1 298.430 3.558 20 0 CHADMN C[C@H](NCc1cnc(Cl)s1)c1ccccc1 ZINC000181377776 1120103003 /nfs/dbraw/zinc/10/30/03/1120103003.db2.gz JKDAYIQZDKDBAO-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN CCN(C(=O)c1cccc(F)c1O)c1ccc2[nH]ccc2c1 ZINC001128079232 1120103915 /nfs/dbraw/zinc/10/39/15/1120103915.db2.gz DHUIHOBWKAFDFY-UHFFFAOYSA-N 0 1 298.317 3.679 20 0 CHADMN Cc1nc(C)c(CN[C@H](c2ccccc2)C2CC2)o1 ZINC000311880600 1120104869 /nfs/dbraw/zinc/10/48/69/1120104869.db2.gz WKRHSNOUENMIIN-MRXNPFEDSA-N 0 1 256.349 3.532 20 0 CHADMN c1csc(-c2nc(CN[C@H]3CCC34CCC4)co2)c1 ZINC000282295093 1120108002 /nfs/dbraw/zinc/10/80/02/1120108002.db2.gz SHSHQUABIKXCED-ZDUSSCGKSA-N 0 1 274.389 3.825 20 0 CHADMN CCc1cnc(CN[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)s1 ZINC000414579827 1120108282 /nfs/dbraw/zinc/10/82/82/1120108282.db2.gz QEUNEHYUBLRYFV-OLZOCXBDSA-N 0 1 296.480 3.777 20 0 CHADMN C[C@H](NCCc1ccc2[nH]ccc2c1)c1cscn1 ZINC000282298489 1120109710 /nfs/dbraw/zinc/10/97/10/1120109710.db2.gz MEKJPTKVOWADAW-NSHDSACASA-N 0 1 271.389 3.518 20 0 CHADMN COc1ccnc(CN(C)[C@H](C)c2cc(C)ccc2C)c1 ZINC000106933835 1120109899 /nfs/dbraw/zinc/10/98/99/1120109899.db2.gz WDDVQFQFFIXQOB-OAHLLOKOSA-N 0 1 284.403 3.900 20 0 CHADMN Cc1nccnc1CN(C)Cc1cccc2ccccc21 ZINC001140937570 1120110440 /nfs/dbraw/zinc/11/04/40/1120110440.db2.gz NRIJCKKYFVEHSK-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN CC(C)=CCC[N@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000659793422 1120110596 /nfs/dbraw/zinc/11/05/96/1120110596.db2.gz WLOLNOVFODDUSI-HOTGVXAUSA-N 0 1 279.424 3.698 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](C3CCC3)C2)cc1F ZINC000659801543 1120113179 /nfs/dbraw/zinc/11/31/79/1120113179.db2.gz IFXFERWCWFDMEC-CQSZACIVSA-N 0 1 291.366 3.536 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@H+]2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)C1 ZINC000659799977 1120113442 /nfs/dbraw/zinc/11/34/42/1120113442.db2.gz LPTPGZRREMIARZ-CBZIJGRNSA-N 0 1 293.451 3.780 20 0 CHADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000659801162 1120113469 /nfs/dbraw/zinc/11/34/69/1120113469.db2.gz DXLMJXSKJLGRFZ-RDJZCZTQSA-N 0 1 287.403 3.633 20 0 CHADMN C[C@H](C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1)C1CCCCC1 ZINC000659799877 1120113717 /nfs/dbraw/zinc/11/37/17/1120113717.db2.gz OZVIPFICNKJOOX-HFTRVMKXSA-N 0 1 293.451 3.780 20 0 CHADMN CCN(Cc1cnc2ccccc2n1)Cc1ccccc1C ZINC000659827379 1120121828 /nfs/dbraw/zinc/12/18/28/1120121828.db2.gz UXCZHIJAVWTWAN-UHFFFAOYSA-N 0 1 291.398 3.960 20 0 CHADMN CN(CCC1CCC1)Cc1nc2ccccc2s1 ZINC000659830474 1120123901 /nfs/dbraw/zinc/12/39/01/1120123901.db2.gz HRCQKDVRPFIPGN-UHFFFAOYSA-N 0 1 260.406 3.918 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000056267950 1120124042 /nfs/dbraw/zinc/12/40/42/1120124042.db2.gz BAOQTEINJWSWHF-AWEZNQCLSA-N 0 1 298.430 3.747 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)N(C)CC(=O)NC(C)(C)C ZINC000056267950 1120124045 /nfs/dbraw/zinc/12/40/45/1120124045.db2.gz BAOQTEINJWSWHF-AWEZNQCLSA-N 0 1 298.430 3.747 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000056267952 1120124311 /nfs/dbraw/zinc/12/43/11/1120124311.db2.gz BAOQTEINJWSWHF-CQSZACIVSA-N 0 1 298.430 3.747 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)N(C)CC(=O)NC(C)(C)C ZINC000056267952 1120124313 /nfs/dbraw/zinc/12/43/13/1120124313.db2.gz BAOQTEINJWSWHF-CQSZACIVSA-N 0 1 298.430 3.747 20 0 CHADMN CC(C)C[C@@H](N[C@H](C)c1ncc[nH]1)c1cccs1 ZINC000353392316 1120128344 /nfs/dbraw/zinc/12/83/44/1120128344.db2.gz FQQODHQTCMAIIC-VXGBXAGGSA-N 0 1 263.410 3.909 20 0 CHADMN CC(C)C[C@@H](N[C@@H](C)c1ncc[nH]1)c1cccs1 ZINC000353392314 1120128574 /nfs/dbraw/zinc/12/85/74/1120128574.db2.gz FQQODHQTCMAIIC-NWDGAFQWSA-N 0 1 263.410 3.909 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H](C)c1coc2ccccc21 ZINC000926839274 1120128710 /nfs/dbraw/zinc/12/87/10/1120128710.db2.gz YFLGMGONFSPZPM-WCQYABFASA-N 0 1 281.359 3.943 20 0 CHADMN COCc1ccccc1CN[C@@H](C)c1cccc(F)c1F ZINC000183215884 1120130470 /nfs/dbraw/zinc/13/04/70/1120130470.db2.gz IDWVJTCKGGUVQI-LBPRGKRZSA-N 0 1 291.341 3.962 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(O)cc(Cl)c2)cc1 ZINC000892743539 1120133623 /nfs/dbraw/zinc/13/36/23/1120133623.db2.gz MWZHIXUWBGOKIN-NSHDSACASA-N 0 1 291.778 3.905 20 0 CHADMN FC(F)(F)c1nc(CNC[C@@H]2CC=CCC2)cs1 ZINC000892745277 1120135360 /nfs/dbraw/zinc/13/53/60/1120135360.db2.gz MCKAXUHHCSVBLT-SECBINFHSA-N 0 1 276.327 3.608 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2cnc(F)cc2C)c1 ZINC000892758384 1120136788 /nfs/dbraw/zinc/13/67/88/1120136788.db2.gz QJFNNQZZMBZCNK-CYBMUJFWSA-N 0 1 288.366 3.779 20 0 CHADMN CCCN(CC(=O)Nc1cccc(C)c1)Cc1ccccc1 ZINC000301511294 1120139263 /nfs/dbraw/zinc/13/92/63/1120139263.db2.gz ZOIPDMXOEMVJQS-UHFFFAOYSA-N 0 1 296.414 3.846 20 0 CHADMN COCCCC[C@H](N[C@H](C)c1ncc[nH]1)c1ccccc1 ZINC000353600574 1120145162 /nfs/dbraw/zinc/14/51/62/1120145162.db2.gz YNJJCUUKWJXMHL-ZBFHGGJFSA-N 0 1 287.407 3.618 20 0 CHADMN CCCCc1noc(CN[C@@H]2CCC[C@@H]2CCCC)n1 ZINC000460345469 1120145615 /nfs/dbraw/zinc/14/56/15/1120145615.db2.gz GWVQVDACSUBBAS-UONOGXRCSA-N 0 1 279.428 3.861 20 0 CHADMN CCC1(CC)CCN(Cc2ccc([S@](C)=O)cc2)CC1 ZINC000362505049 1120147579 /nfs/dbraw/zinc/14/75/79/1120147579.db2.gz LCVKLJLOZZJHPP-FQEVSTJZSA-N 0 1 293.476 3.826 20 0 CHADMN Fc1ccc2c(c1)CCN(Cc1ccnc3ccccc13)C2 ZINC000542783093 1120147795 /nfs/dbraw/zinc/14/77/95/1120147795.db2.gz WQELZZCLLKEVSY-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1nc(C)c(C)s1 ZINC000362547903 1120153766 /nfs/dbraw/zinc/15/37/66/1120153766.db2.gz NRUIHFVYFKKPEK-UONOGXRCSA-N 0 1 296.480 3.785 20 0 CHADMN CCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000023991753 1120156008 /nfs/dbraw/zinc/15/60/08/1120156008.db2.gz DNEPIWFRLBDVJO-CQSZACIVSA-N 0 1 284.403 3.899 20 0 CHADMN CCCC[C@H](CC)CCNCc1nnc(C)s1 ZINC000542800614 1120158022 /nfs/dbraw/zinc/15/80/22/1120158022.db2.gz JQKHWCGJFARBBI-LBPRGKRZSA-N 0 1 255.431 3.543 20 0 CHADMN c1nc2ccc(N[C@H]3CCNc4ccccc43)cc2[nH]1 ZINC001168649058 1120163219 /nfs/dbraw/zinc/16/32/19/1120163219.db2.gz MFQKXHKGCNKWLM-AWEZNQCLSA-N 0 1 264.332 3.532 20 0 CHADMN C[C@H](c1cn(-c2ccccc2)nn1)N(C)CC1CCCCC1 ZINC000472762256 1120165155 /nfs/dbraw/zinc/16/51/55/1120165155.db2.gz JWRMTICIJOMEKS-OAHLLOKOSA-N 0 1 298.434 3.840 20 0 CHADMN CCn1cc(CN[C@H](C)c2cc3ccccc3o2)cn1 ZINC000112095648 1120167826 /nfs/dbraw/zinc/16/78/26/1120167826.db2.gz YMLYPGHHXVZQDB-GFCCVEGCSA-N 0 1 269.348 3.500 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@H](C)c1cccc(F)c1 ZINC000091437174 1120171749 /nfs/dbraw/zinc/17/17/49/1120171749.db2.gz KPTLYUBDMXILRW-ZJUUUORDSA-N 0 1 262.328 3.842 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2oc(C)nc2C)cc1 ZINC000312590788 1120178365 /nfs/dbraw/zinc/17/83/65/1120178365.db2.gz XKLYZVMVMPSLIP-LLVKDONJSA-N 0 1 274.364 3.541 20 0 CHADMN CC(C)c1cc(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)n[nH]1 ZINC000303656280 1120179253 /nfs/dbraw/zinc/17/92/53/1120179253.db2.gz LTTPDCOHQZOTJZ-CYBMUJFWSA-N 0 1 291.439 3.822 20 0 CHADMN C[C@@H]1CCC[C@H](C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000314253002 1120179375 /nfs/dbraw/zinc/17/93/75/1120179375.db2.gz ZKKZBTTUJKNURI-KGLIPLIRSA-N 0 1 287.403 3.569 20 0 CHADMN CCCc1cc(C(=O)N2CCC[C@H]2c2ccccc2C)n[nH]1 ZINC000154353649 1120180772 /nfs/dbraw/zinc/18/07/72/1120180772.db2.gz QVLQPJCXJMNGSI-KRWDZBQOSA-N 0 1 297.402 3.648 20 0 CHADMN CCC(CC)[C@@H](NCc1ccn(C)n1)c1ccccc1 ZINC000394874556 1120182104 /nfs/dbraw/zinc/18/21/04/1120182104.db2.gz BTFCBFDOSUIJIM-QGZVFWFLSA-N 0 1 271.408 3.687 20 0 CHADMN Cc1cccnc1[C@@H](NCc1ccc(O)c(F)c1)C(C)C ZINC000892964329 1120182710 /nfs/dbraw/zinc/18/27/10/1120182710.db2.gz PIIYCOPBBXKGNS-INIZCTEOSA-N 0 1 288.366 3.722 20 0 CHADMN CCC1(C)CN(C(=O)c2cc(-c3ccc(C)cc3C)[nH]n2)C1 ZINC000462734497 1120184094 /nfs/dbraw/zinc/18/40/94/1120184094.db2.gz CETRQGYNGQHIOU-UHFFFAOYSA-N 0 1 297.402 3.566 20 0 CHADMN CC[C@@](C)(NCc1ccc(OC)o1)c1ccccc1 ZINC000892973744 1120185444 /nfs/dbraw/zinc/18/54/44/1120185444.db2.gz WQFRKLGGJOYTGZ-MRXNPFEDSA-N 0 1 259.349 3.703 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cc(C)nc2c1CCCC2 ZINC000892979540 1120187584 /nfs/dbraw/zinc/18/75/84/1120187584.db2.gz HQTNSXFQIQILBX-GFCCVEGCSA-N 0 1 299.418 3.724 20 0 CHADMN Cc1cc(CN(Cc2cccc(F)c2)C(C)C)nc(C)n1 ZINC000659852049 1120191801 /nfs/dbraw/zinc/19/18/01/1120191801.db2.gz GQNYGTAMVNXBEK-UHFFFAOYSA-N 0 1 287.382 3.643 20 0 CHADMN COc1cc(CN2CCC[C@@H]2c2cccc(C)c2)sn1 ZINC000659853547 1120194492 /nfs/dbraw/zinc/19/44/92/1120194492.db2.gz RSYFGOQDMRRYHX-OAHLLOKOSA-N 0 1 288.416 3.797 20 0 CHADMN CCCc1[nH]ncc1C(=O)Nc1cccc(SC)c1C ZINC001116669868 1120194508 /nfs/dbraw/zinc/19/45/08/1120194508.db2.gz LZNUSHGQQQLLPX-UHFFFAOYSA-N 0 1 289.404 3.645 20 0 CHADMN Cc1cc(F)ncc1CNC1(c2cccc(Cl)c2)CC1 ZINC000893010540 1120196343 /nfs/dbraw/zinc/19/63/43/1120196343.db2.gz ZZIYNWDSQLURBZ-UHFFFAOYSA-N 0 1 290.769 3.961 20 0 CHADMN CC(C)(NCc1cccc(Cl)n1)c1ccc(F)cc1 ZINC000072607404 1120198107 /nfs/dbraw/zinc/19/81/07/1120198107.db2.gz BVPFSTOPRRSRNI-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1ccc(Cl)cc1 ZINC000189570992 1120205948 /nfs/dbraw/zinc/20/59/48/1120205948.db2.gz YPECQQXXXPJQOF-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN C[C@@H](N[C@H](c1ccccn1)C1CC1)c1cc(O)cc(F)c1 ZINC000926895721 1120211895 /nfs/dbraw/zinc/21/18/95/1120211895.db2.gz HLIAHUWBCKSIAC-DIFFPNOSSA-N 0 1 286.350 3.728 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000338724820 1120212717 /nfs/dbraw/zinc/21/27/17/1120212717.db2.gz LBDRBMWPEJOKFI-BBRMVZONSA-N 0 1 289.810 3.935 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N1CCC[C@H](n2cccn2)C1 ZINC000338724820 1120212720 /nfs/dbraw/zinc/21/27/20/1120212720.db2.gz LBDRBMWPEJOKFI-BBRMVZONSA-N 0 1 289.810 3.935 20 0 CHADMN FC(F)(F)CCN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000172651962 1120217323 /nfs/dbraw/zinc/21/73/23/1120217323.db2.gz KRJGMCHKATTWAD-AWEZNQCLSA-N 0 1 287.325 3.620 20 0 CHADMN CS[C@@H]1CCC[C@H](N[C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000921805990 1120220990 /nfs/dbraw/zinc/22/09/90/1120220990.db2.gz UGOBLGBZDSMUIO-GRYCIOLGSA-N 0 1 297.468 3.692 20 0 CHADMN Cc1oc(C(C)(C)C)cc1CNCc1ccn(C)c1 ZINC000893100592 1120222954 /nfs/dbraw/zinc/22/29/54/1120222954.db2.gz PAMCROQECJHJQS-UHFFFAOYSA-N 0 1 260.381 3.514 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N1CC[C@@H](C2CCCCC2)C1 ZINC000618183170 1128900385 /nfs/dbraw/zinc/90/03/85/1128900385.db2.gz WWEYRVFMZJAMAD-CQSZACIVSA-N 0 1 297.402 3.605 20 0 CHADMN COc1ccc(C)cc1CN(C)CCOc1ccc(C)cc1 ZINC000061798715 1120230327 /nfs/dbraw/zinc/23/03/27/1120230327.db2.gz PQIJGKFMAXLTJO-UHFFFAOYSA-N 0 1 299.414 3.823 20 0 CHADMN CCCN(Cc1cn2ccccc2n1)Cc1ccccc1 ZINC000061780541 1120230520 /nfs/dbraw/zinc/23/05/20/1120230520.db2.gz UZVVORSASUDNJD-UHFFFAOYSA-N 0 1 279.387 3.747 20 0 CHADMN CCCc1cc(C(=O)N2CCC[C@@H]2C2CCCCC2)n[nH]1 ZINC000618188448 1128900701 /nfs/dbraw/zinc/90/07/01/1128900701.db2.gz RLZRUBOGYGXHLC-MRXNPFEDSA-N 0 1 289.423 3.547 20 0 CHADMN CO[C@H](C)c1cccc(N[C@@H]2CCCc3[nH]ncc32)c1 ZINC000353648572 1128900857 /nfs/dbraw/zinc/90/08/57/1128900857.db2.gz PKKCGJCDJDTSLT-IAQYHMDHSA-N 0 1 271.364 3.607 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccoc2C)c(C)c1 ZINC000666085308 1120236489 /nfs/dbraw/zinc/23/64/89/1120236489.db2.gz BLKKFCUUWKPDCB-GFCCVEGCSA-N 0 1 259.349 3.756 20 0 CHADMN CC(C)[C@H](NCc1ccc[nH]c1=O)c1ccccc1Cl ZINC000624258681 1120240577 /nfs/dbraw/zinc/24/05/77/1120240577.db2.gz QNQIVRZQKAVDRL-HNNXBMFYSA-N 0 1 290.794 3.928 20 0 CHADMN Cc1cc(-c2noc([C@@]3(C)CC=CCC3)n2)cc2nc[nH]c21 ZINC000651238460 1120244952 /nfs/dbraw/zinc/24/49/52/1120244952.db2.gz FIWDTLZZZYPGNW-KRWDZBQOSA-N 0 1 294.358 3.919 20 0 CHADMN CC(C)Cc1ccc(Cc2nc([C@H](N)C(C)C)no2)cc1 ZINC000843148821 1120248950 /nfs/dbraw/zinc/24/89/50/1120248950.db2.gz XKYBPAKESAUKPZ-MRXNPFEDSA-N 0 1 287.407 3.515 20 0 CHADMN Cc1cccc(C2(c3nc([C@H](N)C(C)C)no3)CCC2)c1 ZINC000843148174 1120251375 /nfs/dbraw/zinc/25/13/75/1120251375.db2.gz NUIDEKFSCAJWCX-CQSZACIVSA-N 0 1 285.391 3.504 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CCCC[C@@H](C)C1 ZINC000187942666 1120251488 /nfs/dbraw/zinc/25/14/88/1120251488.db2.gz CBMSJNKLOKMDTF-NEPJUHHUSA-N 0 1 265.401 3.550 20 0 CHADMN CC(C)[C@H](N)c1noc([C@H](C)c2cccc(Cl)c2)n1 ZINC000843149938 1120251839 /nfs/dbraw/zinc/25/18/39/1120251839.db2.gz QRPSWKQBZBSZPB-SKDRFNHKSA-N 0 1 279.771 3.531 20 0 CHADMN CC(C)[C@@H](N)c1noc(C(C)(C)C2CCCCC2)n1 ZINC000843149775 1120253064 /nfs/dbraw/zinc/25/30/64/1120253064.db2.gz QAIRDSCOZAKZGS-GFCCVEGCSA-N 0 1 265.401 3.583 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@@H](C)CCc2ccccc2F)n1 ZINC000843149226 1120253632 /nfs/dbraw/zinc/25/36/32/1120253632.db2.gz JZVXCTLCUKGAPG-SMDDNHRTSA-N 0 1 291.370 3.601 20 0 CHADMN CC[C@H](C)C[C@H](C)Nc1ccc2cc(C(=O)OC)[nH]c2n1 ZINC001168690913 1120260837 /nfs/dbraw/zinc/26/08/37/1120260837.db2.gz AUQRGWJTXOLPRT-QWRGUYRKSA-N 0 1 289.379 3.586 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCC[C@H](C)CC2)n1 ZINC000063308772 1120261973 /nfs/dbraw/zinc/26/19/73/1120261973.db2.gz PVXFBJWBXTVKNV-ZDUSSCGKSA-N 0 1 285.391 3.667 20 0 CHADMN CCN(Cc1cccc(Cl)c1Cl)C[C@@H]1CCCO1 ZINC000511538443 1120267483 /nfs/dbraw/zinc/26/74/83/1120267483.db2.gz CEAONQCHDKFWLV-LBPRGKRZSA-N 0 1 288.218 3.994 20 0 CHADMN COc1ccc2oc([C@@H](C)NCc3c[nH]nc3C)c(C)c2c1 ZINC000106472672 1120267666 /nfs/dbraw/zinc/26/76/66/1120267666.db2.gz LESQLGLFPHRIEP-GFCCVEGCSA-N 0 1 299.374 3.632 20 0 CHADMN CCC(=O)Nc1cc(N[C@H](C)C[C@@H](C)CC)ccn1 ZINC001168694425 1120275583 /nfs/dbraw/zinc/27/55/83/1120275583.db2.gz QBMPKWRCXWMQTC-NWDGAFQWSA-N 0 1 263.385 3.667 20 0 CHADMN CCCSC[C@@H](C)NCc1nc(C2CC2)cs1 ZINC000893171820 1120276540 /nfs/dbraw/zinc/27/65/40/1120276540.db2.gz JJLONMXMDMPRSF-SNVBAGLBSA-N 0 1 270.467 3.642 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2cnn(C)c2)ccc1Cl ZINC000180659340 1120279520 /nfs/dbraw/zinc/27/95/20/1120279520.db2.gz FUPXUSKRNRJAJG-GFCCVEGCSA-N 0 1 277.799 3.575 20 0 CHADMN CC(C)(C)c1coc(CNCCc2cc3ccccc3[nH]2)n1 ZINC000921916399 1120279631 /nfs/dbraw/zinc/27/96/31/1120279631.db2.gz AXGFOIKXSCANSP-UHFFFAOYSA-N 0 1 297.402 3.786 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CC[C@@H](C)[C@@H](C)C1 ZINC000228202425 1120280615 /nfs/dbraw/zinc/28/06/15/1120280615.db2.gz HNRCLGRVOGANAP-KGLIPLIRSA-N 0 1 289.419 3.766 20 0 CHADMN Cc1ccc([C@H](C)NCc2nn(C)c3ccccc23)s1 ZINC000112342586 1120283350 /nfs/dbraw/zinc/28/33/50/1120283350.db2.gz HOAKTFCJGQXYOB-LBPRGKRZSA-N 0 1 285.416 3.794 20 0 CHADMN CC[C@H](NCc1nn(C)c2ccccc12)c1ccccc1 ZINC000112344473 1120283402 /nfs/dbraw/zinc/28/34/02/1120283402.db2.gz CFEYNEJNNRDWGU-INIZCTEOSA-N 0 1 279.387 3.814 20 0 CHADMN COc1cc(CN(C)[C@@H](c2ccccc2)C(C)C)on1 ZINC000659928852 1120290123 /nfs/dbraw/zinc/29/01/23/1120290123.db2.gz ZKMXCAHEZVKHLZ-MRXNPFEDSA-N 0 1 274.364 3.512 20 0 CHADMN CCC(CC)[C@@H](CCNCc1nnc(C(C)C)s1)OC ZINC000893190487 1120291870 /nfs/dbraw/zinc/29/18/70/1120291870.db2.gz CMSYSLMESYFTIW-CYBMUJFWSA-N 0 1 299.484 3.592 20 0 CHADMN CCc1nnc([C@H](C)N2C[C@@H](c3ccccc3C)C[C@@H]2C)[nH]1 ZINC000659940954 1120297761 /nfs/dbraw/zinc/29/77/61/1120297761.db2.gz RHCOKVAVZBELKO-KKUMJFAQSA-N 0 1 298.434 3.615 20 0 CHADMN CC[C@H](C)c1cccc(NS(=O)(=O)c2ccoc2)c1 ZINC000629313297 1128906214 /nfs/dbraw/zinc/90/62/14/1128906214.db2.gz FOFYKQXDFWTWKP-NSHDSACASA-N 0 1 279.361 3.594 20 0 CHADMN CN(C(=O)c1cccc2[nH]cnc21)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416282387 1120301731 /nfs/dbraw/zinc/30/17/31/1120301731.db2.gz CGPRWNYEQXUHMT-UKRRQHHQSA-N 0 1 299.418 3.850 20 0 CHADMN CCC[N@@H+](Cc1nc(C)oc1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000659947342 1120303235 /nfs/dbraw/zinc/30/32/35/1120303235.db2.gz KQUOHFNYPJVILK-HZPDHXFCSA-N 0 1 294.439 3.707 20 0 CHADMN CCCN(Cc1nc(C)oc1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000659947342 1120303239 /nfs/dbraw/zinc/30/32/39/1120303239.db2.gz KQUOHFNYPJVILK-HZPDHXFCSA-N 0 1 294.439 3.707 20 0 CHADMN Cc1ccc(F)c(C(=O)Nc2cccc(Cl)c2O)c1 ZINC000077013038 1120305675 /nfs/dbraw/zinc/30/56/75/1120305675.db2.gz RAZBRGMDMGROCY-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN COc1cc(CN2CCC[C@H]2c2cccc(C)c2C)on1 ZINC000659950649 1120306993 /nfs/dbraw/zinc/30/69/93/1120306993.db2.gz PZDCZYVQFOTZCH-INIZCTEOSA-N 0 1 286.375 3.637 20 0 CHADMN CN(C(=O)c1cc(C2CC2)[nH]n1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416305541 1120307355 /nfs/dbraw/zinc/30/73/55/1120307355.db2.gz IYQUPAJZEJMNPO-SWLSCSKDSA-N 0 1 289.423 3.574 20 0 CHADMN CN(C(=O)c1cccc2n[nH]cc21)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416312584 1120311388 /nfs/dbraw/zinc/31/13/88/1120311388.db2.gz QQQBTTSWPAIGOM-HOCLYGCPSA-N 0 1 299.418 3.850 20 0 CHADMN CN(C(=O)c1cccc2n[nH]cc21)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416312585 1120311589 /nfs/dbraw/zinc/31/15/89/1120311589.db2.gz QQQBTTSWPAIGOM-ZBFHGGJFSA-N 0 1 299.418 3.850 20 0 CHADMN CC(C)C[C@@H]1C[C@H](NCc2nc(C(C)(C)C)co2)CCO1 ZINC000921973001 1120313341 /nfs/dbraw/zinc/31/33/41/1120313341.db2.gz DXPHAAFGLOEPTI-ZIAGYGMSSA-N 0 1 294.439 3.655 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2csc(-c3ccoc3)n2)C1 ZINC000108355759 1120313966 /nfs/dbraw/zinc/31/39/66/1120313966.db2.gz BXULWYHCVWJIBC-TXEJJXNPSA-N 0 1 276.405 3.881 20 0 CHADMN CCC(C)(CC)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000672485895 1120314064 /nfs/dbraw/zinc/31/40/64/1120314064.db2.gz HHIVJBFQKSOSEH-UHFFFAOYSA-N 0 1 273.735 3.950 20 0 CHADMN CCCO[C@H]1CCCN(Cc2ccc(Cl)nc2)CC1 ZINC000108393098 1120314728 /nfs/dbraw/zinc/31/47/28/1120314728.db2.gz UIILOYTYPFLDBM-AWEZNQCLSA-N 0 1 282.815 3.516 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2nc(C)oc2C)C1 ZINC000659969736 1120315747 /nfs/dbraw/zinc/31/57/47/1120315747.db2.gz GKERCEVPIXVKBY-OAHLLOKOSA-N 0 1 250.386 3.694 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2cc(C)nc(C)n2)o1 ZINC000659969826 1120316163 /nfs/dbraw/zinc/31/61/63/1120316163.db2.gz GULZOCAKNHEULT-YVEFUNNKSA-N 0 1 299.418 3.968 20 0 CHADMN CCc1cnc(CN(C)C[C@@H](CC)CC(F)F)s1 ZINC000659982555 1120322736 /nfs/dbraw/zinc/32/27/36/1120322736.db2.gz QOBQGEHRJFZXLW-JTQLQIEISA-N 0 1 276.396 3.819 20 0 CHADMN Cc1cccnc1[C@@H](NCc1ccnc(Cl)c1)C(C)C ZINC000172817762 1120326338 /nfs/dbraw/zinc/32/63/38/1120326338.db2.gz VUWFWJCJJLKMSI-HNNXBMFYSA-N 0 1 289.810 3.925 20 0 CHADMN c1coc([C@@H]2CN(CC[C@H]3CCc4ccccc43)CCO2)c1 ZINC000659994329 1120330405 /nfs/dbraw/zinc/33/04/05/1120330405.db2.gz QRCMRMJPQOXRQB-APWZRJJASA-N 0 1 297.398 3.773 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc([C@H](C)c2cccs2)no1 ZINC000843188304 1120330835 /nfs/dbraw/zinc/33/08/35/1120330835.db2.gz APNSOWMUFAUPRC-GHMZBOCLSA-N 0 1 293.436 3.980 20 0 CHADMN C[C@H]1CCCN(Cc2cccnc2OCc2ccccc2)C1 ZINC001238772094 1131243652 /nfs/dbraw/zinc/24/36/52/1131243652.db2.gz NIOTWRXTQGEJMO-INIZCTEOSA-N 0 1 296.414 3.893 20 0 CHADMN C[C@@H]1CN(C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H](c2ccsc2)O1 ZINC000660003749 1120335464 /nfs/dbraw/zinc/33/54/64/1120335464.db2.gz VIRXITTWVYCENH-HUHANWACSA-N 0 1 277.433 3.556 20 0 CHADMN CCCN[C@@H](C)c1nc(Cc2cccc(F)c2Cl)no1 ZINC000843189621 1120337155 /nfs/dbraw/zinc/33/71/55/1120337155.db2.gz QWLFZTPDINMALU-VIFPVBQESA-N 0 1 297.761 3.514 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000629375246 1128909451 /nfs/dbraw/zinc/90/94/51/1128909451.db2.gz YSXZLEFCZXVDQT-BZUAXINKSA-N 0 1 279.424 3.532 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1ccnc(C)c1 ZINC000651389003 1120341646 /nfs/dbraw/zinc/34/16/46/1120341646.db2.gz IMVDICKVVIZGEL-ZDUSSCGKSA-N 0 1 286.423 3.501 20 0 CHADMN CCc1nocc1CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000660020352 1120342294 /nfs/dbraw/zinc/34/22/94/1120342294.db2.gz CFXZKRYIIHGYPM-MRXNPFEDSA-N 0 1 276.355 3.863 20 0 CHADMN C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000819352595 1131243682 /nfs/dbraw/zinc/24/36/82/1131243682.db2.gz PQKUCKVQPNPRQJ-SWLSCSKDSA-N 0 1 292.398 3.652 20 0 CHADMN CCc1nocc1CN[C@H](c1ccc(F)cc1)C(C)C ZINC000660020351 1120343019 /nfs/dbraw/zinc/34/30/19/1120343019.db2.gz CFXZKRYIIHGYPM-INIZCTEOSA-N 0 1 276.355 3.863 20 0 CHADMN c1ccc(COc2ncccc2CN2CCCCC2)cc1 ZINC001238771974 1131243693 /nfs/dbraw/zinc/24/36/93/1131243693.db2.gz LPQMHZBJUBMWPS-UHFFFAOYSA-N 0 1 282.387 3.647 20 0 CHADMN CN(C)c1ncccc1CNCc1ccc(C2CCC2)cc1 ZINC000339181645 1120345158 /nfs/dbraw/zinc/34/51/58/1120345158.db2.gz AIDNLYRKJVFZDJ-UHFFFAOYSA-N 0 1 295.430 3.705 20 0 CHADMN COC[C@@H](NCc1csc(Cl)c1Cl)C1CC1 ZINC000309667601 1120345368 /nfs/dbraw/zinc/34/53/68/1120345368.db2.gz UUTWZYZURJGERG-SECBINFHSA-N 0 1 280.220 3.570 20 0 CHADMN Clc1ccc([C@H]2CCN2C[C@@H]2CCCCO2)cc1 ZINC000511565522 1120347472 /nfs/dbraw/zinc/34/74/72/1120347472.db2.gz SZMXRUUGJNWSCO-LSDHHAIUSA-N 0 1 265.784 3.656 20 0 CHADMN Cc1nc(C2(NC[C@@H]3CC[C@@H]4C[C@@H]4C3)CCCCC2)no1 ZINC000660036237 1120349502 /nfs/dbraw/zinc/34/95/02/1120349502.db2.gz LGBMKGBCGLDATP-KFWWJZLASA-N 0 1 289.423 3.563 20 0 CHADMN c1csc([C@H](NC[C@@H]2C[C@H]3C[C@H]3C2)c2ccccc2)n1 ZINC000660046798 1120352720 /nfs/dbraw/zinc/35/27/20/1120352720.db2.gz LONYCQAGJFAKGB-SLBVQIDZSA-N 0 1 284.428 3.868 20 0 CHADMN Cc1cc(CNC(C)(C)c2ccc(Cl)cc2)nc(C)n1 ZINC000660063972 1120357397 /nfs/dbraw/zinc/35/73/97/1120357397.db2.gz BMLGPTXYDSBHLM-UHFFFAOYSA-N 0 1 289.810 3.772 20 0 CHADMN CCc1nocc1CN[C@H](c1ccccc1)C1CCC1 ZINC000660065840 1120357680 /nfs/dbraw/zinc/35/76/80/1120357680.db2.gz LIHZODOFNZFUJW-QGZVFWFLSA-N 0 1 270.376 3.868 20 0 CHADMN C[C@H]1CCc2ccccc2[C@H]1NCc1nccn1C1CC1 ZINC000893268647 1120362701 /nfs/dbraw/zinc/36/27/01/1120362701.db2.gz HKLXNGKMADDDTC-UGSOOPFHSA-N 0 1 281.403 3.631 20 0 CHADMN CCC(C)(C)CC(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000765971501 1120364601 /nfs/dbraw/zinc/36/46/01/1120364601.db2.gz LJEKNRDMLFXQBE-CQSZACIVSA-N 0 1 293.407 3.614 20 0 CHADMN C[C@@H]1CC(CCNCc2nc(C(C)(C)C)co2)C[C@@H](C)O1 ZINC000922110515 1120370069 /nfs/dbraw/zinc/37/00/69/1120370069.db2.gz CYWRIEBVTQLEIP-CHWSQXEVSA-N 0 1 294.439 3.655 20 0 CHADMN O=C([O-])C1(CNc2cc[nH+]c3cc(Cl)ccc23)CCC1 ZINC000166678882 1120374895 /nfs/dbraw/zinc/37/48/95/1120374895.db2.gz DMMJLLSNMKKEQY-UHFFFAOYSA-N 0 1 290.750 3.555 20 0 CHADMN C[C@@H](N[C@@H]1COC(C)(C)C1)c1nc2ccccc2s1 ZINC000396593576 1120389107 /nfs/dbraw/zinc/38/91/07/1120389107.db2.gz NCDCHDHJZMPHQZ-MNOVXSKESA-N 0 1 276.405 3.514 20 0 CHADMN Cc1[nH]ncc1[C@H](C)Nc1cccc(OC(C)C)c1 ZINC000651415630 1120391295 /nfs/dbraw/zinc/39/12/95/1120391295.db2.gz HFCYRFQCQUSOKU-NSHDSACASA-N 0 1 259.353 3.678 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@H](O)c2ccccc2)cs1 ZINC000186203204 1120392391 /nfs/dbraw/zinc/39/23/91/1120392391.db2.gz KKABIPDROKLFEE-WFASDCNBSA-N 0 1 290.432 3.651 20 0 CHADMN CO[C@@H](C[N@@H+](C)[C@@H](C)c1cccnc1)C1CCCCC1 ZINC000660141032 1120395286 /nfs/dbraw/zinc/39/52/86/1120395286.db2.gz SJQREUPWJAIWCB-YOEHRIQHSA-N 0 1 276.424 3.670 20 0 CHADMN C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)CCO1 ZINC000511599095 1120398109 /nfs/dbraw/zinc/39/81/09/1120398109.db2.gz YJPCEAHXJDDHIH-DVOMOZLQSA-N 0 1 279.811 3.902 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cccc2cccnc21 ZINC000078679815 1120398976 /nfs/dbraw/zinc/39/89/76/1120398976.db2.gz KLTRDQQOFCNYDH-LLVKDONJSA-N 0 1 281.359 3.690 20 0 CHADMN COc1ccccc1/C=C\CN(C)Cc1ccc(C)cn1 ZINC000682788349 1120425784 /nfs/dbraw/zinc/42/57/84/1120425784.db2.gz VPVYDTQJCHGNCM-VURMDHGXSA-N 0 1 282.387 3.544 20 0 CHADMN Cc1ccc(CNCc2c(C)cc(Cl)cc2C)nc1 ZINC000641766688 1120426581 /nfs/dbraw/zinc/42/65/81/1120426581.db2.gz QUFAOXAIBSRSAN-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN CC(C)[C@@H](N[C@H]1COCc2ccccc21)c1cccnc1 ZINC000417371354 1120439597 /nfs/dbraw/zinc/43/95/97/1120439597.db2.gz VJFLEYSYDCJOQI-ZWKOTPCHSA-N 0 1 282.387 3.640 20 0 CHADMN Cc1cccc([C@@H](C)NCc2ccnn2C2CCC2)c1 ZINC000922168652 1120441837 /nfs/dbraw/zinc/44/18/37/1120441837.db2.gz APXOGCKRXTWVGD-CQSZACIVSA-N 0 1 269.392 3.767 20 0 CHADMN CS[C@@H](C)CN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000925602013 1120443072 /nfs/dbraw/zinc/44/30/72/1120443072.db2.gz PJQKRYZCSDDQSI-WMLDXEAASA-N 0 1 286.444 3.821 20 0 CHADMN CCc1ncc(CNC2(c3ccccc3C)CCC2)o1 ZINC000930842867 1120445491 /nfs/dbraw/zinc/44/54/91/1120445491.db2.gz LMRBDHBFJXHSFJ-UHFFFAOYSA-N 0 1 270.376 3.714 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N(C)C[C@H]1CC=CCC1 ZINC000543173748 1120452493 /nfs/dbraw/zinc/45/24/93/1120452493.db2.gz ZNNQQGFYYHIXKN-STQMWFEESA-N 0 1 277.412 3.716 20 0 CHADMN C[C@@]1(F)CCN(CCCc2ccccc2Cl)C1 ZINC000543197134 1120458372 /nfs/dbraw/zinc/45/83/72/1120458372.db2.gz YPXNCFJNRRJIQC-CQSZACIVSA-N 0 1 255.764 3.707 20 0 CHADMN Cc1ccc(CN2CCCC[C@](C)(F)C2)c(F)c1 ZINC001141191511 1120460648 /nfs/dbraw/zinc/46/06/48/1120460648.db2.gz NKYDOMGXZPHGPH-HNNXBMFYSA-N 0 1 253.336 3.848 20 0 CHADMN CCc1ccc([C@@H]([NH2+]Cc2ccsc2C)C(=O)[O-])cc1 ZINC000417581782 1120460654 /nfs/dbraw/zinc/46/06/54/1120460654.db2.gz IRCXFJBFMHSBEY-OAHLLOKOSA-N 0 1 289.400 3.534 20 0 CHADMN COCC[C@H](NCc1cccc(SC)c1)c1ccco1 ZINC000660255576 1120467820 /nfs/dbraw/zinc/46/78/20/1120467820.db2.gz DJXDLCVCDXBNLM-HNNXBMFYSA-N 0 1 291.416 3.869 20 0 CHADMN C[C@@H](NCc1ccc(F)nc1)c1cccc(OC(F)F)c1 ZINC000188991536 1120471056 /nfs/dbraw/zinc/47/10/56/1120471056.db2.gz ZLANBDNHYIZHMU-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2cncn2CC)cc1 ZINC000417688013 1120473262 /nfs/dbraw/zinc/47/32/62/1120473262.db2.gz WLZLDEQJORGTCT-GOSISDBHSA-N 0 1 299.418 3.639 20 0 CHADMN C[C@@H]1C[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)CCC1(F)F ZINC001168714890 1120479064 /nfs/dbraw/zinc/47/90/64/1120479064.db2.gz DRZUQXBXPUKHBN-ZYHUDNBSSA-N 0 1 285.765 3.784 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]2c2cccs2)cn1 ZINC000189285310 1120479450 /nfs/dbraw/zinc/47/94/50/1120479450.db2.gz PPPUCSWICDRVDN-GFCCVEGCSA-N 0 1 262.353 3.619 20 0 CHADMN CSCC1(CCNCc2nc(C(C)(C)C)co2)CC1 ZINC000922239562 1120480403 /nfs/dbraw/zinc/48/04/03/1120480403.db2.gz INMVAHSKTBVDEP-UHFFFAOYSA-N 0 1 282.453 3.595 20 0 CHADMN CC1(C)CCCC[C@@H]1NCc1nnc(C(F)(F)F)s1 ZINC000660305775 1120489306 /nfs/dbraw/zinc/48/93/06/1120489306.db2.gz NDTOPEOOLGAHTR-QMMMGPOBSA-N 0 1 293.358 3.615 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2scnc2Cl)CC1 ZINC001137825796 1120499430 /nfs/dbraw/zinc/49/94/30/1120499430.db2.gz AUOGZFWITOVCEB-MGCOHNPYSA-N 0 1 258.818 3.807 20 0 CHADMN CCCCN(Cc1nc(-c2ccc(F)cc2)no1)C1CC1 ZINC000046773084 1120504142 /nfs/dbraw/zinc/50/41/42/1120504142.db2.gz OISROSQWWABUOI-UHFFFAOYSA-N 0 1 289.354 3.640 20 0 CHADMN Cc1scc(CNCc2cccc3[nH]c(=O)oc32)c1C ZINC000922303217 1120505122 /nfs/dbraw/zinc/50/51/22/1120505122.db2.gz UVUQTGWIZSZADS-UHFFFAOYSA-N 0 1 288.372 3.502 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(Br)n1)c1ccc[nH]1 ZINC000925643813 1120507288 /nfs/dbraw/zinc/50/72/88/1120507288.db2.gz IHUOYWLKTAJHIQ-ZJUUUORDSA-N 0 1 294.196 3.584 20 0 CHADMN C/C=C(\CC)C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000190778089 1120507399 /nfs/dbraw/zinc/50/73/99/1120507399.db2.gz VWIHVIYDHNKTBW-LHHJGKSTSA-N 0 1 286.419 3.953 20 0 CHADMN C/C=C(\CC)C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000190778089 1120507402 /nfs/dbraw/zinc/50/74/02/1120507402.db2.gz VWIHVIYDHNKTBW-LHHJGKSTSA-N 0 1 286.419 3.953 20 0 CHADMN COc1cc(CN2CCC[C@H](C)C2)cc(C(F)(F)F)c1 ZINC001143509050 1120510319 /nfs/dbraw/zinc/51/03/19/1120510319.db2.gz YYBBFZQBNFOMPC-NSHDSACASA-N 0 1 287.325 3.946 20 0 CHADMN CCn1cncc1CN1Cc2cccc(C)c2CC1(C)C ZINC000418061395 1120512683 /nfs/dbraw/zinc/51/26/83/1120512683.db2.gz AFOZHKRZSNOTKQ-UHFFFAOYSA-N 0 1 283.419 3.548 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC(c3c[nH]cn3)CC2)c1 ZINC000364235828 1120514366 /nfs/dbraw/zinc/51/43/66/1120514366.db2.gz RWFXQIWJEDBCNO-UHFFFAOYSA-N 0 1 293.773 3.582 20 0 CHADMN COc1cc(CN[C@H](C)c2cnc(C)s2)ccc1Cl ZINC000651468140 1120514891 /nfs/dbraw/zinc/51/48/91/1120514891.db2.gz YENBTHVWKNROQT-SECBINFHSA-N 0 1 296.823 3.964 20 0 CHADMN CCCCCNC1(c2noc(C)n2)CCCCCC1 ZINC000117874865 1120517742 /nfs/dbraw/zinc/51/77/42/1120517742.db2.gz ATVFLYKBCNMLDM-UHFFFAOYSA-N 0 1 265.401 3.707 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(C3CC3)cc2)nn1 ZINC000418111129 1120519756 /nfs/dbraw/zinc/51/97/56/1120519756.db2.gz DNNSWFZDFYBBSY-ZDUSSCGKSA-N 0 1 267.376 3.513 20 0 CHADMN CC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2O)cc1 ZINC000019807245 1120525495 /nfs/dbraw/zinc/52/54/95/1120525495.db2.gz WDGDNBKMLQQAQE-UHFFFAOYSA-N 0 1 289.718 3.501 20 0 CHADMN Cc1cccn2c(CN3CC4C[C@@H]5CC3C[C@H](C4)C5)cnc12 ZINC000511655460 1120527005 /nfs/dbraw/zinc/52/70/05/1120527005.db2.gz JHMRDWBSGMRJFG-RYTJFDOTSA-N 0 1 295.430 3.653 20 0 CHADMN O=C(Nc1cccc2cccnc21)c1ccc(O)c(Cl)c1 ZINC000019838117 1120528881 /nfs/dbraw/zinc/52/88/81/1120528881.db2.gz YFLHVTARXJSOGZ-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CC[C@@H](C)[C@H](C)C3)n[nH]2)cc1 ZINC000500208859 1120533103 /nfs/dbraw/zinc/53/31/03/1120533103.db2.gz WLZDIGUGIJHXRU-ZIAGYGMSSA-N 0 1 297.402 3.503 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(F)cc2F)cc1 ZINC000019909215 1120545012 /nfs/dbraw/zinc/54/50/12/1120545012.db2.gz SBSAQVXHVHIRSG-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN CCCSC[C@@H](C)N[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000893346987 1120547631 /nfs/dbraw/zinc/54/76/31/1120547631.db2.gz XRJMHCDGSNJNSK-DGCLKSJQSA-N 0 1 297.468 3.765 20 0 CHADMN CCC[N@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347722846 1120549369 /nfs/dbraw/zinc/54/93/69/1120549369.db2.gz SCJBHYAUOLCIRI-CYBMUJFWSA-N 0 1 263.772 3.763 20 0 CHADMN CCCN1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347722846 1120549374 /nfs/dbraw/zinc/54/93/74/1120549374.db2.gz SCJBHYAUOLCIRI-CYBMUJFWSA-N 0 1 263.772 3.763 20 0 CHADMN Cc1cc(CO)cc(C)c1CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000922561834 1120550831 /nfs/dbraw/zinc/55/08/31/1120550831.db2.gz WKTUOZUSEWBLBG-WMLDXEAASA-N 0 1 299.414 3.802 20 0 CHADMN COC(C)(C)[C@@H](C)NCc1csc(-c2cccs2)n1 ZINC000922580994 1120554916 /nfs/dbraw/zinc/55/49/16/1120554916.db2.gz JLAVSVLLVWPDFT-SNVBAGLBSA-N 0 1 296.461 3.775 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccn2)C2CC2)cnc1Cl ZINC000922584419 1120556022 /nfs/dbraw/zinc/55/60/22/1120556022.db2.gz KAKCEFNSFRKRHC-OAHLLOKOSA-N 0 1 287.794 3.679 20 0 CHADMN COc1cc(C)ccc1CN[C@H](c1ccccn1)C1CC1 ZINC000922584225 1120557501 /nfs/dbraw/zinc/55/75/01/1120557501.db2.gz FFFXHWXNNXCAAC-SFHVURJKSA-N 0 1 282.387 3.640 20 0 CHADMN Cc1oc(-c2ccccc2)cc1-c1nc([C@H]2CCCN2)no1 ZINC000629675066 1128924590 /nfs/dbraw/zinc/92/45/90/1128924590.db2.gz MKGJEFSAPDAHGW-CQSZACIVSA-N 0 1 295.342 3.730 20 0 CHADMN COCc1ccc(CN[C@H](C)COCC2CCCCC2)o1 ZINC000922603905 1120562182 /nfs/dbraw/zinc/56/21/82/1120562182.db2.gz VKHONFWYBYVYMY-CQSZACIVSA-N 0 1 295.423 3.501 20 0 CHADMN CCN(Cc1c[nH]c2ccccc12)Cc1cc(C)nc(C)n1 ZINC000660381846 1120562409 /nfs/dbraw/zinc/56/24/09/1120562409.db2.gz YORDEMVSOMIIOR-UHFFFAOYSA-N 0 1 294.402 3.597 20 0 CHADMN CCCc1ccc([C@H](NCc2cn(C)cn2)C(C)C)cc1 ZINC000673599024 1120566989 /nfs/dbraw/zinc/56/69/89/1120566989.db2.gz AQADCTGHBOHGJH-GOSISDBHSA-N 0 1 285.435 3.860 20 0 CHADMN CC1(CC(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)CC1 ZINC000428916878 1120568269 /nfs/dbraw/zinc/56/82/69/1120568269.db2.gz HUSTYDKERPKCQL-AWEZNQCLSA-N 0 1 299.374 3.543 20 0 CHADMN CC(C)c1ncc(CNC(C)(C)/C=C/Cl)s1 ZINC000922649495 1120570355 /nfs/dbraw/zinc/57/03/55/1120570355.db2.gz WURGDCKVAIQEPN-AATRIKPKSA-N 0 1 258.818 3.887 20 0 CHADMN CC(C)(/C=C\Cl)NCc1nccc2c1CCCC2 ZINC000922644433 1120570676 /nfs/dbraw/zinc/57/06/76/1120570676.db2.gz IFVVBHFRUDFXJH-HJWRWDBZSA-N 0 1 264.800 3.581 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1cnn(C2CCC2)c1 ZINC000922665246 1120576973 /nfs/dbraw/zinc/57/69/73/1120576973.db2.gz JZKYTLMFIIGBBT-ZDUSSCGKSA-N 0 1 287.382 3.906 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1cn(C)nc1C(F)F ZINC000922670269 1120577117 /nfs/dbraw/zinc/57/71/17/1120577117.db2.gz RSROYHZVODJTSP-JTQLQIEISA-N 0 1 297.324 3.656 20 0 CHADMN COc1ccc([C@H](C)NCc2ccncc2Cl)cc1C ZINC000922674558 1120579810 /nfs/dbraw/zinc/57/98/10/1120579810.db2.gz LPDHMSJULVPKPL-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@H](C)c1ccncc1 ZINC000020096768 1120584744 /nfs/dbraw/zinc/58/47/44/1120584744.db2.gz LEEJEXADIKSKLW-CHWSQXEVSA-N 0 1 256.349 3.502 20 0 CHADMN CC[C@H]1CCC[C@@H]1NCc1ncsc1Br ZINC000660411168 1120586860 /nfs/dbraw/zinc/58/68/60/1120586860.db2.gz VDWZGVPNZWVREE-IUCAKERBSA-N 0 1 289.242 3.574 20 0 CHADMN C[C@H](NCc1cccnc1)c1cc(Br)cs1 ZINC000193938292 1120587332 /nfs/dbraw/zinc/58/73/32/1120587332.db2.gz FJOKTFMRBGXHJJ-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN CCOc1ccc(CNCc2ncc(C)cc2C)cc1F ZINC000922741648 1120589942 /nfs/dbraw/zinc/58/99/42/1120589942.db2.gz OUQABMDATRTQJG-UHFFFAOYSA-N 0 1 288.366 3.526 20 0 CHADMN Cc1ccc(N2N=C3CCCC[C@H]3C2=O)c(Cl)c1 ZINC000634594028 1128926575 /nfs/dbraw/zinc/92/65/75/1128926575.db2.gz IDJJZZYZYSQZEW-SNVBAGLBSA-N 0 1 262.740 3.541 20 0 CHADMN Cc1ccc(-n2[nH]c3c(c2=O)CCCC3)c(Cl)c1 ZINC000634594028 1128926579 /nfs/dbraw/zinc/92/65/79/1128926579.db2.gz IDJJZZYZYSQZEW-SNVBAGLBSA-N 0 1 262.740 3.541 20 0 CHADMN CCc1ncc(CN2CCC(c3cccc(F)c3)CC2)cn1 ZINC000840918433 1120594415 /nfs/dbraw/zinc/59/44/15/1120594415.db2.gz SUMKONTVNRWVJV-UHFFFAOYSA-N 0 1 299.393 3.558 20 0 CHADMN Cc1nc(CNC[C@@H]2[C@@H](c3ccccc3)C2(F)F)cs1 ZINC000922775202 1120595803 /nfs/dbraw/zinc/59/58/03/1120595803.db2.gz MLRPESXRPCVENC-ZIAGYGMSSA-N 0 1 294.370 3.590 20 0 CHADMN Clc1cccc2c1C[C@@H](N1CCOc3ccccc3C1)C2 ZINC001168734655 1120595823 /nfs/dbraw/zinc/59/58/23/1120595823.db2.gz JMIKMIQQMZBMJA-HNNXBMFYSA-N 0 1 299.801 3.702 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H](c2ccc(F)cc2)C(C)C)cn1 ZINC000428981149 1120597119 /nfs/dbraw/zinc/59/71/19/1120597119.db2.gz PGQUTNJZFIZIAJ-SUMWQHHRSA-N 0 1 287.382 3.972 20 0 CHADMN CCCc1nc(C)c(C[N@H+]2CCC=C(c3ccco3)C2)o1 ZINC000428980514 1120597289 /nfs/dbraw/zinc/59/72/89/1120597289.db2.gz VDORKXKUPMUKEH-UHFFFAOYSA-N 0 1 286.375 3.818 20 0 CHADMN CCCc1nc(C)c(CN2CCC=C(c3ccco3)C2)o1 ZINC000428980514 1120597292 /nfs/dbraw/zinc/59/72/92/1120597292.db2.gz VDORKXKUPMUKEH-UHFFFAOYSA-N 0 1 286.375 3.818 20 0 CHADMN CC(C)c1nc(CN2CC[C@H](c3ccccc3)C[C@@H]2C)n[nH]1 ZINC000428984949 1120599233 /nfs/dbraw/zinc/59/92/33/1120599233.db2.gz JBHRPQOQAPLXJA-HOCLYGCPSA-N 0 1 298.434 3.696 20 0 CHADMN Fc1cccc2c1CN([C@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168735038 1120599717 /nfs/dbraw/zinc/59/97/17/1120599717.db2.gz ODTWBKCGHXHTMF-ZDUSSCGKSA-N 0 1 287.765 3.962 20 0 CHADMN Cc1ccc(CN2CC[C@H](c3c(F)cccc3F)C2)o1 ZINC000347739838 1120600559 /nfs/dbraw/zinc/60/05/59/1120600559.db2.gz YMFSIHHBRFVFND-LBPRGKRZSA-N 0 1 277.314 3.856 20 0 CHADMN CCc1nnc([C@H](C)N2C[C@H](c3ccc(C)cc3)C[C@@H]2C)[nH]1 ZINC000660430489 1120602158 /nfs/dbraw/zinc/60/21/58/1120602158.db2.gz ASZNXUKDUDMNNA-OFQRWUPVSA-N 0 1 298.434 3.615 20 0 CHADMN Cc1cc2nc([C@@H]3C[C@@H](C)O[C@@H](C)C3)[nH]c2c(C)c1 ZINC000724356851 1120604941 /nfs/dbraw/zinc/60/49/41/1120604941.db2.gz IMTGKSFCCQJRGO-CLLJXQQHSA-N 0 1 258.365 3.851 20 0 CHADMN CCC[C@]1(COC)CCCN1Cc1cnc(Cl)s1 ZINC000194922988 1120610011 /nfs/dbraw/zinc/61/00/11/1120610011.db2.gz JDZDILXSFOFSBC-CYBMUJFWSA-N 0 1 288.844 3.578 20 0 CHADMN C[C@H]1c2ccsc2CCN1CCOc1cccc(F)c1 ZINC000509042775 1120612459 /nfs/dbraw/zinc/61/24/59/1120612459.db2.gz XZJIAPGLRJTYQE-LBPRGKRZSA-N 0 1 291.391 3.885 20 0 CHADMN Cc1cccc2c1[C@@H](NCc1ccc(Cl)cn1)CC2 ZINC000925695365 1120614237 /nfs/dbraw/zinc/61/42/37/1120614237.db2.gz WBKXTPQKZIDHEY-HNNXBMFYSA-N 0 1 272.779 3.821 20 0 CHADMN Clc1sccc1CNCCNc1ccccc1 ZINC000312780767 1120617839 /nfs/dbraw/zinc/61/78/39/1120617839.db2.gz NWDPZQJEUJFHGS-UHFFFAOYSA-N 0 1 266.797 3.603 20 0 CHADMN CCc1cc(CN[C@H](CC)c2ccc(Cl)cc2)[nH]n1 ZINC000766005720 1120619649 /nfs/dbraw/zinc/61/96/49/1120619649.db2.gz XNLUVBSOGARSKC-OAHLLOKOSA-N 0 1 277.799 3.866 20 0 CHADMN CC[C@H](C)n1cc(-c2ccc(CN(C)C)c(F)c2)cn1 ZINC000629709263 1128928743 /nfs/dbraw/zinc/92/87/43/1128928743.db2.gz RJFCBHLEVVBEIF-LBPRGKRZSA-N 0 1 275.371 3.722 20 0 CHADMN CCCOc1ccc([C@H](C)NCc2cc(CC)n[nH]2)cc1 ZINC000766005694 1120619858 /nfs/dbraw/zinc/61/98/58/1120619858.db2.gz XITHUOPKZCBOFG-ZDUSSCGKSA-N 0 1 287.407 3.612 20 0 CHADMN Fc1ccc(CN2CCOC[C@H](C3CCC3)C2)c(Cl)c1 ZINC000429033605 1120623314 /nfs/dbraw/zinc/62/33/14/1120623314.db2.gz ZZYZOQLQXHLEEJ-CQSZACIVSA-N 0 1 297.801 3.728 20 0 CHADMN CC(C)[C@@H](C)N(Cc1ccncc1Br)C1CC1 ZINC000625083541 1120631919 /nfs/dbraw/zinc/63/19/19/1120631919.db2.gz GXHXXJZGAFKHRC-LLVKDONJSA-N 0 1 297.240 3.853 20 0 CHADMN COc1cncc(CN2CCCCC[C@@H]2c2ccccc2)n1 ZINC000625091597 1120633009 /nfs/dbraw/zinc/63/30/09/1120633009.db2.gz YLRODFXVSLMDAA-QGZVFWFLSA-N 0 1 297.402 3.603 20 0 CHADMN CCC1(CC)CCCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000618673518 1128929570 /nfs/dbraw/zinc/92/95/70/1128929570.db2.gz ZBBCAWGPBPRXNP-UHFFFAOYSA-N 0 1 285.391 3.605 20 0 CHADMN Fc1cccc(F)c1C1(N[C@@H]2COC3(CCC3)C2)CCC1 ZINC000624345609 1120634061 /nfs/dbraw/zinc/63/40/61/1120634061.db2.gz OKSTUDSKJVIZBD-LBPRGKRZSA-N 0 1 293.357 3.645 20 0 CHADMN Cc1ccccc1-c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000473135707 1120635595 /nfs/dbraw/zinc/63/55/95/1120635595.db2.gz SMRLPFMCFIWLBO-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN CC[C@H](CC(F)F)CN1CCOc2cccc(F)c2C1 ZINC000660485239 1120637840 /nfs/dbraw/zinc/63/78/40/1120637840.db2.gz ULZBYQXROZANFY-LLVKDONJSA-N 0 1 287.325 3.702 20 0 CHADMN COc1ccc(/C=C\c2cccc([C@@H]3COCCN3)c2)cc1 ZINC000629730335 1128930299 /nfs/dbraw/zinc/93/02/99/1128930299.db2.gz HFYYSRQZAJTQFJ-VOFKWLDRSA-N 0 1 295.382 3.527 20 0 CHADMN COCc1ccccc1/C=C(\C)CN1CC[C@@](C)(F)C1 ZINC000509115088 1120645490 /nfs/dbraw/zinc/64/54/90/1120645490.db2.gz XTVLNWSHHHIAIV-IDKBZEPQSA-N 0 1 277.383 3.670 20 0 CHADMN Clc1cc(Cl)cc(-c2cccc3[nH]nnc32)c1 ZINC001222597939 1120649936 /nfs/dbraw/zinc/64/99/36/1120649936.db2.gz YFMWYENYUTZHQW-UHFFFAOYSA-N 0 1 264.115 3.932 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1c(F)cncc1F)C1CCCCC1 ZINC000660551686 1120656886 /nfs/dbraw/zinc/65/68/86/1120656886.db2.gz NCDVWPPAUTZDLS-NHYWBVRUSA-N 0 1 298.377 3.606 20 0 CHADMN c1c(CN2CCC[C@H]3CCC[C@H]32)[nH]nc1-c1ccccc1 ZINC000511837640 1120660048 /nfs/dbraw/zinc/66/00/48/1120660048.db2.gz ICOBHZGPKFTXJV-CRAIPNDOSA-N 0 1 281.403 3.841 20 0 CHADMN CCN(CCc1nccs1)Cc1cc(O)ccc1Cl ZINC000625270965 1120661008 /nfs/dbraw/zinc/66/10/08/1120661008.db2.gz ULBYADWEMHRXAT-UHFFFAOYSA-N 0 1 296.823 3.567 20 0 CHADMN Cc1ccc(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1 ZINC000511844728 1120661236 /nfs/dbraw/zinc/66/12/36/1120661236.db2.gz MYVKKMOYYYTBIX-APWZRJJASA-N 0 1 281.399 3.957 20 0 CHADMN c1ccc2c(C[N@H+]3CC[C@@H](c4ccncc4)C3)nsc2c1 ZINC000660574407 1120662137 /nfs/dbraw/zinc/66/21/37/1120662137.db2.gz PSSTYUHXPOEQND-CQSZACIVSA-N 0 1 295.411 3.681 20 0 CHADMN CCc1nocc1CN[C@@H](C)c1cccc(C2CC2)c1 ZINC000660646388 1120672605 /nfs/dbraw/zinc/67/26/05/1120672605.db2.gz ZRFHTVOXDKOZSY-LBPRGKRZSA-N 0 1 270.376 3.965 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2coc(-c3ccccc3F)n2)C1 ZINC000625387655 1120674857 /nfs/dbraw/zinc/67/48/57/1120674857.db2.gz BUXJPGRSJNZESZ-GFCCVEGCSA-N 0 1 286.350 3.879 20 0 CHADMN CN(Cc1cc(CO)ccc1F)C(C)(C)c1ccccc1 ZINC000625402715 1120676179 /nfs/dbraw/zinc/67/61/79/1120676179.db2.gz NOXQZQICUAKUHQ-UHFFFAOYSA-N 0 1 287.378 3.685 20 0 CHADMN CC1(C)CN([C@@H]2Cc3cccc(Cl)c3C2)CC(C)(C)O1 ZINC001168742881 1120677188 /nfs/dbraw/zinc/67/71/88/1120677188.db2.gz IJFBPIMMLSNCCO-CYBMUJFWSA-N 0 1 293.838 3.697 20 0 CHADMN Cc1ccccc1[C@H](CO)Nc1ccnc2cc(F)ccc21 ZINC000673817669 1120677793 /nfs/dbraw/zinc/67/77/93/1120677793.db2.gz XIKOLBQTYIYHKI-SFHVURJKSA-N 0 1 296.345 3.828 20 0 CHADMN CN(CCSc1ccc(F)cc1F)Cc1ccccn1 ZINC000660680781 1120677916 /nfs/dbraw/zinc/67/79/16/1120677916.db2.gz XPIAKGCZZPWLCJ-UHFFFAOYSA-N 0 1 294.370 3.584 20 0 CHADMN c1sc(CN(C2CCC2)C2CCC2)nc1C1CC1 ZINC000429147739 1120679624 /nfs/dbraw/zinc/67/96/24/1120679624.db2.gz AZCHVKLOPQYFMG-UHFFFAOYSA-N 0 1 262.422 3.928 20 0 CHADMN Cc1ccncc1CN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282452391 1120680334 /nfs/dbraw/zinc/68/03/34/1120680334.db2.gz LXNBATCCYLXLJF-AWEZNQCLSA-N 0 1 298.352 3.945 20 0 CHADMN CO[C@@H]1CCN(Cc2nsc3ccccc32)CC1(C)C ZINC000660719530 1120680444 /nfs/dbraw/zinc/68/04/44/1120680444.db2.gz CSCFXGXEPLGDPU-OAHLLOKOSA-N 0 1 290.432 3.543 20 0 CHADMN CN(CCC1CCCCC1)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660761174 1120685613 /nfs/dbraw/zinc/68/56/13/1120685613.db2.gz CHGNITDWYXTXSI-KRWDZBQOSA-N 0 1 298.434 3.796 20 0 CHADMN CCC(C)(C)CCN(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660764364 1120686444 /nfs/dbraw/zinc/68/64/44/1120686444.db2.gz NUIIUKVJHOSXTL-OAHLLOKOSA-N 0 1 286.423 3.652 20 0 CHADMN FC(F)(F)COc1ccnc(NC(C2CC2)C2CC2)c1 ZINC001168746653 1120687012 /nfs/dbraw/zinc/68/70/12/1120687012.db2.gz BWMZLRIIPWREJB-UHFFFAOYSA-N 0 1 286.297 3.623 20 0 CHADMN C[C@H]1CCCC[C@]1(C)NCc1nnc(C(F)(F)F)s1 ZINC000660769443 1120686990 /nfs/dbraw/zinc/68/69/90/1120686990.db2.gz YWGSUHZLDBAHEV-KWQFWETISA-N 0 1 293.358 3.615 20 0 CHADMN O=C1CCN(CC[C@H]2CCc3ccccc32)C2(CCC2)C1 ZINC000660818471 1120692956 /nfs/dbraw/zinc/69/29/56/1120692956.db2.gz JKQULGRSNYKEDW-MRXNPFEDSA-N 0 1 283.415 3.694 20 0 CHADMN CN(Cc1coc(-c2ccccc2F)n1)C(C)(C)C ZINC000625509345 1120696288 /nfs/dbraw/zinc/69/62/88/1120696288.db2.gz PESYZMIZSORAPS-UHFFFAOYSA-N 0 1 262.328 3.711 20 0 CHADMN Fc1ccccc1-c1nc(CN2CCC23CCCC3)co1 ZINC000625510663 1120697457 /nfs/dbraw/zinc/69/74/57/1120697457.db2.gz RMYWHCWVEMHSRD-UHFFFAOYSA-N 0 1 286.350 3.999 20 0 CHADMN Cc1nc(CN2CCC[C@@]2(C)Cc2cccc(F)c2)co1 ZINC000660897656 1120699462 /nfs/dbraw/zinc/69/94/62/1120699462.db2.gz CUTWYZKNXZNIOA-KRWDZBQOSA-N 0 1 288.366 3.719 20 0 CHADMN CCc1nocc1CNC1(c2ccccc2C)CCC1 ZINC000660908691 1120700176 /nfs/dbraw/zinc/70/01/76/1120700176.db2.gz CWGDHDLFCHNUJH-UHFFFAOYSA-N 0 1 270.376 3.714 20 0 CHADMN Cc1nc(CN2CCC3(CCc4ccccc4C3)CC2)co1 ZINC000660910359 1120702442 /nfs/dbraw/zinc/70/24/42/1120702442.db2.gz FFJIGVNFRWBQEM-UHFFFAOYSA-N 0 1 296.414 3.754 20 0 CHADMN Cc1noc([C@H](C)N(C)C[C@H]2CCCCC2(C)C)n1 ZINC000660926925 1120703483 /nfs/dbraw/zinc/70/34/83/1120703483.db2.gz ULMOBASVBXEIQG-WCQYABFASA-N 0 1 265.401 3.587 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N1C[C@@H]2CCCC[C@@H]21 ZINC000660933868 1120704493 /nfs/dbraw/zinc/70/44/93/1120704493.db2.gz ZRSKIJWCUIHTIC-DYEKYZERSA-N 0 1 256.349 3.763 20 0 CHADMN CC[C@H](C)N(CC)Cc1nc(-c2ccc(C)cc2)no1 ZINC000661107984 1120717299 /nfs/dbraw/zinc/71/72/99/1120717299.db2.gz VUHCRGWFXDKMOC-ZDUSSCGKSA-N 0 1 273.380 3.665 20 0 CHADMN Cc1cc(=O)[n-]c([C@@H](C)[NH2+][C@@H]2CCCC23CCCCC3)n1 ZINC000661126665 1120721592 /nfs/dbraw/zinc/72/15/92/1120721592.db2.gz GZDVPKPAODCJQE-ZIAGYGMSSA-N 0 1 289.423 3.644 20 0 CHADMN Cc1cc(CN(Cc2ccsc2)C(C)(C)C)ncn1 ZINC000661134398 1120723669 /nfs/dbraw/zinc/72/36/69/1120723669.db2.gz XSTSODXBVJFAAJ-UHFFFAOYSA-N 0 1 275.421 3.647 20 0 CHADMN COc1cccc(CN(Cc2ccsc2)C(C)(C)C)n1 ZINC000661135113 1120724066 /nfs/dbraw/zinc/72/40/66/1120724066.db2.gz BEZODNLFWPUODC-UHFFFAOYSA-N 0 1 290.432 3.952 20 0 CHADMN Cc1cnc(CN2CCC[C@@H]2c2c(C)cccc2C)o1 ZINC000661134522 1120724298 /nfs/dbraw/zinc/72/42/98/1120724298.db2.gz OFXPHMUSAAPJDZ-OAHLLOKOSA-N 0 1 270.376 3.937 20 0 CHADMN C[C@@H]1CC[C@H]([NH2+]Cc2ccc([O-])c(Cl)c2)C[C@@H]1C ZINC000085042466 1120731716 /nfs/dbraw/zinc/73/17/16/1120731716.db2.gz MNIHBFSSSAZGPB-MDZLAQPJSA-N 0 1 267.800 3.960 20 0 CHADMN CC[C@]1(C)CCC[C@@H]1NCc1nc(-c2ccccc2)no1 ZINC000651763618 1120738527 /nfs/dbraw/zinc/73/85/27/1120738527.db2.gz FFFJFEDUZFRMDO-WMLDXEAASA-N 0 1 285.391 3.795 20 0 CHADMN CCc1cccc(CN[C@H]2COc3ccc(F)cc32)c1 ZINC000651764253 1120739416 /nfs/dbraw/zinc/73/94/16/1120739416.db2.gz NUDQDOFKMADXMS-INIZCTEOSA-N 0 1 271.335 3.611 20 0 CHADMN c1ccc2c(c1)-c1ccccc1C2Nc1cnc2n[nH]nc2c1 ZINC001167777117 1120748883 /nfs/dbraw/zinc/74/88/83/1120748883.db2.gz WATXZCOKOCJGSB-UHFFFAOYSA-N 0 1 299.337 3.535 20 0 CHADMN Clc1cnc(CN[C@@H]2CCC23CCCC3)s1 ZINC000335620945 1120759998 /nfs/dbraw/zinc/75/99/98/1120759998.db2.gz PTCDVHKVACDYJM-SECBINFHSA-N 0 1 256.802 3.609 20 0 CHADMN CC1(C)CC[C@H](CN2CC[C@H]2c2ccc(F)cc2)O1 ZINC000661513256 1120773192 /nfs/dbraw/zinc/77/31/92/1120773192.db2.gz NHHJKXAUIDGCKE-CABCVRRESA-N 0 1 263.356 3.530 20 0 CHADMN CN(Cc1nnc(C2CC2)o1)C1CC(C)(C)CC(C)(C)C1 ZINC000661531424 1120775215 /nfs/dbraw/zinc/77/52/15/1120775215.db2.gz HPJNYULHQJLPBY-UHFFFAOYSA-N 0 1 291.439 3.984 20 0 CHADMN FCCCC[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661541842 1120777137 /nfs/dbraw/zinc/77/71/37/1120777137.db2.gz TXJMFUCMNMRCPF-UHFFFAOYSA-N 0 1 290.407 3.918 20 0 CHADMN Fc1cccc(F)c1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000511891830 1120777373 /nfs/dbraw/zinc/77/73/73/1120777373.db2.gz RBQZNJKCEYXYRO-XHDPSFHLSA-N 0 1 251.320 3.729 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@@H]2CCC[C@H]21 ZINC000511891830 1120777375 /nfs/dbraw/zinc/77/73/75/1120777375.db2.gz RBQZNJKCEYXYRO-XHDPSFHLSA-N 0 1 251.320 3.729 20 0 CHADMN CCc1cnc(C[N@H+]2CC[C@H](C3CCCCC3)C2)o1 ZINC000661578016 1120780983 /nfs/dbraw/zinc/78/09/83/1120780983.db2.gz HOABAGIXNAVBHB-AWEZNQCLSA-N 0 1 262.397 3.639 20 0 CHADMN CCc1cnc(CN2CC[C@H](C3CCCCC3)C2)o1 ZINC000661578016 1120780987 /nfs/dbraw/zinc/78/09/87/1120780987.db2.gz HOABAGIXNAVBHB-AWEZNQCLSA-N 0 1 262.397 3.639 20 0 CHADMN C[C@@H]1c2cccn2CCN1CCc1ccccc1Cl ZINC000109471988 1120784131 /nfs/dbraw/zinc/78/41/31/1120784131.db2.gz YQBDUUOIIUQSMQ-CYBMUJFWSA-N 0 1 274.795 3.761 20 0 CHADMN Cc1c[nH]nc1CN1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000651937856 1120785679 /nfs/dbraw/zinc/78/56/79/1120785679.db2.gz AOPODFVDNVDLER-GFCCVEGCSA-N 0 1 289.810 3.533 20 0 CHADMN Cn1cccc1CN[C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000651949680 1120789818 /nfs/dbraw/zinc/78/98/18/1120789818.db2.gz RCAZVNHZFZKHJB-HNNXBMFYSA-N 0 1 288.366 3.556 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N(C)CC1=CCCOC1 ZINC000661654691 1120790388 /nfs/dbraw/zinc/79/03/88/1120790388.db2.gz MAKVCTVXUKAEHO-LLVKDONJSA-N 0 1 283.774 3.819 20 0 CHADMN CCC1(CC)CN(Cc2cc(O)cc(F)c2)CCS1 ZINC000473128906 1120791522 /nfs/dbraw/zinc/79/15/22/1120791522.db2.gz QTBQLDGKCBRQEM-UHFFFAOYSA-N 0 1 283.412 3.639 20 0 CHADMN Cc1ccc2[nH]c(CN(C)Cc3ccc[nH]3)cc2c1C ZINC000473131013 1120792851 /nfs/dbraw/zinc/79/28/51/1120792851.db2.gz FJAQYRPAQNCOSF-UHFFFAOYSA-N 0 1 267.376 3.745 20 0 CHADMN FCC[C@@H]1CCCN(Cc2ccsc2Cl)C1 ZINC000661689551 1120793895 /nfs/dbraw/zinc/79/38/95/1120793895.db2.gz STWDPYJHTHYPJK-JTQLQIEISA-N 0 1 261.793 3.973 20 0 CHADMN FCC[C@H]1CCCN(Cc2nc3ccccc3s2)C1 ZINC000661689870 1120794994 /nfs/dbraw/zinc/79/49/94/1120794994.db2.gz LKRRPSRFVFWJSG-GFCCVEGCSA-N 0 1 278.396 3.868 20 0 CHADMN FCC[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000661691817 1120796476 /nfs/dbraw/zinc/79/64/76/1120796476.db2.gz YMVDJAXGGREAMP-LLVKDONJSA-N 0 1 257.299 3.536 20 0 CHADMN CCC[C@H](C)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000048070640 1120800887 /nfs/dbraw/zinc/80/08/87/1120800887.db2.gz BQRNUMLWZWEYJP-ZDUSSCGKSA-N 0 1 273.380 3.665 20 0 CHADMN Cn1ccnc1[C@@H](NCc1cccc2ccsc21)C1CC1 ZINC000652219576 1120800891 /nfs/dbraw/zinc/80/08/91/1120800891.db2.gz FDLLEBYIGVSGBC-HNNXBMFYSA-N 0 1 297.427 3.876 20 0 CHADMN CC[C@H](OCCN[C@H](C)c1nccnc1C)c1ccccc1 ZINC000652236099 1120802676 /nfs/dbraw/zinc/80/26/76/1120802676.db2.gz CWGUDELQKYYRQZ-WBVHZDCISA-N 0 1 299.418 3.604 20 0 CHADMN Cc1ccc2[nH]c(CN3CCSC[C@H]3C)cc2c1C ZINC000473140639 1120803934 /nfs/dbraw/zinc/80/39/34/1120803934.db2.gz RGGSTNQYIAOBTC-GFCCVEGCSA-N 0 1 274.433 3.722 20 0 CHADMN Cc1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)c(C)c1 ZINC000048244247 1120805667 /nfs/dbraw/zinc/80/56/67/1120805667.db2.gz UIDVXOFGQAEMEG-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1nccc(CN2CCCC[C@H]2c2ccccc2)n1 ZINC000335917214 1120812822 /nfs/dbraw/zinc/81/28/22/1120812822.db2.gz GGRLQWZSZRDTHG-KRWDZBQOSA-N 0 1 267.376 3.512 20 0 CHADMN C[C@@H]1CCN(Cc2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000661853441 1120825128 /nfs/dbraw/zinc/82/51/28/1120825128.db2.gz SIMWXHIBFKHVOV-NEPJUHHUSA-N 0 1 287.325 3.705 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N(Cc2nc(Cc3ccccc3)no2)C1 ZINC000661860991 1120825843 /nfs/dbraw/zinc/82/58/43/1120825843.db2.gz MKJRTKMRVXEQEU-HUUCEWRRSA-N 0 1 299.418 3.671 20 0 CHADMN c1coc(CCNCc2csc(-c3ccsc3)n2)c1 ZINC000067131357 1120827847 /nfs/dbraw/zinc/82/78/47/1120827847.db2.gz IPTWTYSSLOGBCM-UHFFFAOYSA-N 0 1 290.413 3.797 20 0 CHADMN Fc1ccc(F)c(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000661877821 1120831552 /nfs/dbraw/zinc/83/15/52/1120831552.db2.gz WGHPDYJXBDFBSA-GUYCJALGSA-N 0 1 295.373 3.746 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N(C)CCC(C)C)c(Cl)c1 ZINC000048584105 1120834901 /nfs/dbraw/zinc/83/49/01/1120834901.db2.gz NYFZNZUOTBYBPG-ZDUSSCGKSA-N 0 1 296.842 3.953 20 0 CHADMN CC[N@@H+](CC[C@@H](C(=O)[O-])c1ccccc1)Cc1ccccc1 ZINC000652368783 1120843307 /nfs/dbraw/zinc/84/33/07/1120843307.db2.gz SGMXBHDGIRXQBJ-GOSISDBHSA-N 0 1 297.398 3.767 20 0 CHADMN O=C1CCCC12CCN(Cc1cccc(C(F)F)c1)CC2 ZINC000661957387 1120846283 /nfs/dbraw/zinc/84/62/83/1120846283.db2.gz GGWPKRWHGSGSNF-UHFFFAOYSA-N 0 1 293.357 3.959 20 0 CHADMN CC[C@H](C)c1cccc(NC(=O)c2[nH]c(C)nc2C)c1 ZINC000630020559 1128944418 /nfs/dbraw/zinc/94/44/18/1128944418.db2.gz DTNQWYFKEAIGKG-JTQLQIEISA-N 0 1 271.364 3.792 20 0 CHADMN CCCCCN(C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21)C(C)C ZINC000630026833 1128944597 /nfs/dbraw/zinc/94/45/97/1128944597.db2.gz JSHNAJLJICHSFP-HIFRSBDPSA-N 0 1 291.439 3.503 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000652425620 1120860596 /nfs/dbraw/zinc/86/05/96/1120860596.db2.gz BIHZRDSTZOUOTI-LBPRGKRZSA-N 0 1 267.394 3.601 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@@H+](CC)C[C@H](CC)c1ccccc1 ZINC000652437357 1120863143 /nfs/dbraw/zinc/86/31/43/1120863143.db2.gz KVQCYYJAJNJKHK-HOCLYGCPSA-N 0 1 277.408 3.755 20 0 CHADMN Cc1cccc(CNCc2ccccc2C2CC2)n1 ZINC000094357742 1120864467 /nfs/dbraw/zinc/86/44/67/1120864467.db2.gz WFHSRANFSXPXRU-UHFFFAOYSA-N 0 1 252.361 3.557 20 0 CHADMN CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC000652451006 1120865829 /nfs/dbraw/zinc/86/58/29/1120865829.db2.gz NVZGIPNZABAYAV-JSGCOSHPSA-N 0 1 291.391 3.626 20 0 CHADMN Clc1ccc(-c2ccc([C@H]3COCCN3)cc2)cc1 ZINC000630050937 1128945626 /nfs/dbraw/zinc/94/56/26/1128945626.db2.gz GUXCBIDXHUPWHY-MRXNPFEDSA-N 0 1 273.763 3.668 20 0 CHADMN Cc1cc(C[N@@H+](CC(=O)[O-])C2CCCCC2)c(C)s1 ZINC000652482414 1120871640 /nfs/dbraw/zinc/87/16/40/1120871640.db2.gz ZXHMENDQVUDRPH-UHFFFAOYSA-N 0 1 281.421 3.584 20 0 CHADMN C[C@@H](C[N@H+]1CCc2cccc(C(=O)[O-])c2C1)c1ccccc1 ZINC000652488414 1120871647 /nfs/dbraw/zinc/87/16/47/1120871647.db2.gz RXAQQOJFIVESOK-AWEZNQCLSA-N 0 1 295.382 3.547 20 0 CHADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(C2CCCC2)cc1 ZINC000652504172 1120873354 /nfs/dbraw/zinc/87/33/54/1120873354.db2.gz ZLQYBNCTFHLGLS-GUYCJALGSA-N 0 1 287.403 3.639 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)CCC(=O)OC(C)(C)C ZINC000055059135 1120877204 /nfs/dbraw/zinc/87/72/04/1120877204.db2.gz WBZUJZUNEURSEY-LBPRGKRZSA-N 0 1 281.371 3.550 20 0 CHADMN CCc1ccc(CNC2(c3cccc(OC)c3)CCC2)nc1 ZINC000662111455 1120877826 /nfs/dbraw/zinc/87/78/26/1120877826.db2.gz UGIOUXMYSWJUFO-UHFFFAOYSA-N 0 1 296.414 3.822 20 0 CHADMN CC/C=C/CCSc1nc(-c2ccccc2O)n[nH]1 ZINC000184423741 1120882108 /nfs/dbraw/zinc/88/21/08/1120882108.db2.gz DEPUXSFIXOGOGP-ONEGZZNKSA-N 0 1 275.377 3.626 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000251339049 1120883375 /nfs/dbraw/zinc/88/33/75/1120883375.db2.gz MDVQVZGCZBSZIA-JONQDZQNSA-N 0 1 281.440 3.921 20 0 CHADMN CCCn1c(C)nnc1CN1CCCC[C@H]1CC1CCC1 ZINC000662154687 1120886797 /nfs/dbraw/zinc/88/67/97/1120886797.db2.gz CAGMHJYGIXOZJY-INIZCTEOSA-N 0 1 290.455 3.541 20 0 CHADMN CCCc1noc(CN2CCCC[C@@H]2CC2CCC2)n1 ZINC000662154496 1120886898 /nfs/dbraw/zinc/88/68/98/1120886898.db2.gz ASOJQKFAVPXHFC-CQSZACIVSA-N 0 1 277.412 3.567 20 0 CHADMN Cc1cc(C)cc(CNc2ccc(F)c(-c3nc[nH]n3)c2)c1 ZINC000630059373 1128947196 /nfs/dbraw/zinc/94/71/96/1128947196.db2.gz OANXEPXQWVRNFL-UHFFFAOYSA-N 0 1 296.349 3.840 20 0 CHADMN CCCCc1noc([C@H](C)N(CCC2CC2)CC2CC2)n1 ZINC000662179771 1120891851 /nfs/dbraw/zinc/89/18/51/1120891851.db2.gz VGQDJTPKWPLSAJ-ZDUSSCGKSA-N 0 1 291.439 3.985 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H]1CCCc2cc(F)ccc21 ZINC000188293528 1120897359 /nfs/dbraw/zinc/89/73/59/1120897359.db2.gz UESVIWLRFRGCFN-BLLLJJGKSA-N 0 1 285.366 3.652 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H]2[C@@H]3CCCCCC[C@@H]32)n1 ZINC000663250344 1120900358 /nfs/dbraw/zinc/90/03/58/1120900358.db2.gz DPEKQGQBQZXRDI-RFQIPJPRSA-N 0 1 277.412 3.799 20 0 CHADMN O=C([O-])C[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)C1)C1CCC1 ZINC000662213044 1120902165 /nfs/dbraw/zinc/90/21/65/1120902165.db2.gz RNSCAYCIPDVOLQ-GDBMZVCRSA-N 0 1 287.403 3.509 20 0 CHADMN CC1(C)CCCC[C@H]1C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000662213692 1120902899 /nfs/dbraw/zinc/90/28/99/1120902899.db2.gz BPWKAVMOVXGWLE-GJZGRUSLSA-N 0 1 281.440 3.922 20 0 CHADMN CC(C)(C)C[N@@H+](CCC1CCCCCC1)CC(=O)[O-] ZINC000662226101 1120906357 /nfs/dbraw/zinc/90/63/57/1120906357.db2.gz XJIMMTFUDVOCKW-UHFFFAOYSA-N 0 1 269.429 3.780 20 0 CHADMN Cc1ccc2nc(SCc3cccc(N)c3)[nH]c2c1 ZINC000061439896 1120912680 /nfs/dbraw/zinc/91/26/80/1120912680.db2.gz WNXWDYPDXHJLLO-UHFFFAOYSA-N 0 1 269.373 3.746 20 0 CHADMN O=C([O-])c1ccccc1CC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000663316115 1120922509 /nfs/dbraw/zinc/92/25/09/1120922509.db2.gz SKIAFOZKJMEONK-RDJZCZTQSA-N 0 1 287.403 3.582 20 0 CHADMN CC1(C)C[C@@]1(NCc1cncc(F)c1)c1ccccc1 ZINC000662340433 1120928077 /nfs/dbraw/zinc/92/80/77/1120928077.db2.gz JRRJMNGHNIRBRH-QGZVFWFLSA-N 0 1 270.351 3.636 20 0 CHADMN CCCC[C@H](COC)N[C@@H](C)c1csc(CC)n1 ZINC000162368601 1120940065 /nfs/dbraw/zinc/94/00/65/1120940065.db2.gz TUQFZFGHPVHZLZ-NWDGAFQWSA-N 0 1 270.442 3.561 20 0 CHADMN CCn1nccc1CNCc1cc2cc(C)c(C)cc2o1 ZINC000663349247 1120942787 /nfs/dbraw/zinc/94/27/87/1120942787.db2.gz ULOPVRNMVYCFID-UHFFFAOYSA-N 0 1 283.375 3.556 20 0 CHADMN CC(C)[C@@H]1N(Cc2nc3c(s2)CCC3)CC12CCC2 ZINC000644835339 1120945488 /nfs/dbraw/zinc/94/54/88/1120945488.db2.gz MSSTXGMZEYPBNE-HNNXBMFYSA-N 0 1 276.449 3.642 20 0 CHADMN C[C@H]1CCN(Cc2cc(C(C)(C)C)on2)C[C@@H](C)C1 ZINC000554936157 1128951586 /nfs/dbraw/zinc/95/15/86/1128951586.db2.gz OJRUHGIOYWSRMJ-STQMWFEESA-N 0 1 264.413 3.840 20 0 CHADMN O=C(Nc1ccc(F)c(C2CC2)c1)c1cccc2nc[nH]c21 ZINC000343913374 1120960908 /nfs/dbraw/zinc/96/09/08/1120960908.db2.gz YHWFWALPMBJTQU-UHFFFAOYSA-N 0 1 295.317 3.832 20 0 CHADMN C/C(=C/c1nc([C@@H](N)CC(C)C)no1)c1cccs1 ZINC000621245885 1120965652 /nfs/dbraw/zinc/96/56/52/1120965652.db2.gz APMIBEQBVXFCBL-IEHMKBBKSA-N 0 1 277.393 3.738 20 0 CHADMN CCOC[C@H]1CCCN(Cc2c(Cl)cccc2OC)C1 ZINC000093419004 1128954119 /nfs/dbraw/zinc/95/41/19/1128954119.db2.gz CAUHSXSALJTVSQ-ZDUSSCGKSA-N 0 1 297.826 3.597 20 0 CHADMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000343938656 1120980176 /nfs/dbraw/zinc/98/01/76/1120980176.db2.gz GIHNMZSGASSFRY-RYUDHWBXSA-N 0 1 290.382 3.514 20 0 CHADMN CCn1nccc1CN[C@@H](C)c1ccc(SC)c(F)c1 ZINC000663466732 1120983198 /nfs/dbraw/zinc/98/31/98/1120983198.db2.gz BMVPJXLXALABLT-NSHDSACASA-N 0 1 293.411 3.615 20 0 CHADMN O=C(CN1CCCCCCC1)Nc1cccc(Cl)c1 ZINC000007486807 1120983426 /nfs/dbraw/zinc/98/34/26/1120983426.db2.gz TWXMUWCEZFGYKG-UHFFFAOYSA-N 0 1 280.799 3.545 20 0 CHADMN CCN(Cc1nc(-c2ccccc2C)no1)CC(C)(C)C ZINC000643409812 1120988497 /nfs/dbraw/zinc/98/84/97/1120988497.db2.gz TUAJSWYLYVKSKZ-UHFFFAOYSA-N 0 1 287.407 3.913 20 0 CHADMN Cn1cccc1CNCc1ccc(-c2ccccc2F)o1 ZINC000343948787 1120991566 /nfs/dbraw/zinc/99/15/66/1120991566.db2.gz KPLCWFLWTQVWDO-UHFFFAOYSA-N 0 1 284.334 3.714 20 0 CHADMN C[C@H](N[C@H]1CO[C@H](C)C1)c1cc(Cl)sc1Cl ZINC000402289437 1120993772 /nfs/dbraw/zinc/99/37/72/1120993772.db2.gz MUTJBJLJWBERAJ-GJMOJQLCSA-N 0 1 280.220 3.883 20 0 CHADMN Cc1cc([C@H](C)N[C@H](c2ccccc2)[C@H](C)O)oc1C ZINC000658359014 1120994233 /nfs/dbraw/zinc/99/42/33/1120994233.db2.gz CVKDWUVFLSHGOL-DCGLDWPTSA-N 0 1 273.376 3.669 20 0 CHADMN CCOc1ccc(CNCc2ccc(C(F)F)cc2)o1 ZINC000893621239 1120996511 /nfs/dbraw/zinc/99/65/11/1120996511.db2.gz LCQKOWITDWYUSJ-UHFFFAOYSA-N 0 1 281.302 3.906 20 0 CHADMN COc1ccc(N2N=C3CCCCC[C@@H]3C2=O)cc1Cl ZINC000634614843 1128959060 /nfs/dbraw/zinc/95/90/60/1128959060.db2.gz PSPOAGQDQDGJEK-NSHDSACASA-N 0 1 292.766 3.632 20 0 CHADMN COc1ccc(-n2[nH]c3c(c2=O)CCCCC3)cc1Cl ZINC000634614843 1128959062 /nfs/dbraw/zinc/95/90/62/1128959062.db2.gz PSPOAGQDQDGJEK-NSHDSACASA-N 0 1 292.766 3.632 20 0 CHADMN C[C@@H](NCc1ccc(F)cc1)c1cnn(-c2ccccc2)c1 ZINC000317278104 1121003429 /nfs/dbraw/zinc/00/34/29/1121003429.db2.gz SRCBPIOPQWGJHC-CQSZACIVSA-N 0 1 295.361 3.862 20 0 CHADMN CCC[C@]1(C)CCCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000343973875 1121009765 /nfs/dbraw/zinc/00/97/65/1121009765.db2.gz HLWUFGPDBGQWDE-QGZVFWFLSA-N 0 1 291.439 3.884 20 0 CHADMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000003747830 1121011483 /nfs/dbraw/zinc/01/14/83/1121011483.db2.gz BXXBAUSDIQDPBH-KRWDZBQOSA-N 0 1 297.354 3.528 20 0 CHADMN CS[C@H](C)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000032625556 1121015883 /nfs/dbraw/zinc/01/58/83/1121015883.db2.gz NHWGRODETTZSAM-SECBINFHSA-N 0 1 291.420 3.550 20 0 CHADMN C[C@H]1c2ccsc2CCN1CCC(=O)C(C)(C)C ZINC000054026548 1121018273 /nfs/dbraw/zinc/01/82/73/1121018273.db2.gz KINLTRHYKWAYRY-NSHDSACASA-N 0 1 265.422 3.673 20 0 CHADMN Cc1ccc(-c2nnc(CN(C3CCC3)C3CCC3)o2)cc1 ZINC000429186976 1121028601 /nfs/dbraw/zinc/02/86/01/1121028601.db2.gz YPAMRALVFHOWRN-UHFFFAOYSA-N 0 1 297.402 3.952 20 0 CHADMN C=CNc1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC001174784057 1121031115 /nfs/dbraw/zinc/03/11/15/1121031115.db2.gz YIWCFTIVHPMIDY-UHFFFAOYSA-N 0 1 250.345 3.758 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cnc2ccc(C)cc2c1 ZINC000663597577 1121032093 /nfs/dbraw/zinc/03/20/93/1121032093.db2.gz CIRJUMYOGMLUEO-GFCCVEGCSA-N 0 1 295.386 3.999 20 0 CHADMN c1ccc2c(c1)CC[C@H]2[N@H+]1CCOc2ccccc2C1 ZINC000681681512 1121033093 /nfs/dbraw/zinc/03/30/93/1121033093.db2.gz FICOPQLAUZPSGA-QGZVFWFLSA-N 0 1 265.356 3.569 20 0 CHADMN C[C@@H](NCC=C(Cl)Cl)c1ccc2c(c1)CCCO2 ZINC001174749120 1121036751 /nfs/dbraw/zinc/03/67/51/1121036751.db2.gz GLNKXMMDUXBRGG-SNVBAGLBSA-N 0 1 286.202 3.981 20 0 CHADMN COc1cncc(CN(Cc2ccc(C)s2)C(C)C)c1 ZINC000343986341 1121043518 /nfs/dbraw/zinc/04/35/18/1121043518.db2.gz WBTQDLAOJCMVAQ-UHFFFAOYSA-N 0 1 290.432 3.871 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1cn[nH]c1 ZINC000222462704 1121044166 /nfs/dbraw/zinc/04/41/66/1121044166.db2.gz DKXASGSUYHAKNO-RKDXNWHRSA-N 0 1 267.735 3.614 20 0 CHADMN Cc1ccc(C)c(Nc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001174815549 1121044402 /nfs/dbraw/zinc/04/44/02/1121044402.db2.gz PIYOPYQPXSHCEO-UHFFFAOYSA-N 0 1 295.430 3.799 20 0 CHADMN FC(F)(F)CCN1CCC(c2ncccc2Cl)CC1 ZINC000429209227 1121054587 /nfs/dbraw/zinc/05/45/87/1121054587.db2.gz UOQAMOSOLPJCKF-UHFFFAOYSA-N 0 1 292.732 3.867 20 0 CHADMN C[C@H]1CN(Cc2nnc(-c3ccccc3)o2)CC(C)(C)C1 ZINC000344030586 1121058621 /nfs/dbraw/zinc/05/86/21/1121058621.db2.gz DAAFPVZSKNXJRR-CYBMUJFWSA-N 0 1 285.391 3.605 20 0 CHADMN CN(Cc1nnc(-c2ccccc2)o1)C[C@@H]1CC=CCC1 ZINC000344034679 1121059632 /nfs/dbraw/zinc/05/96/32/1121059632.db2.gz FEVXMCIJMHNVRA-CQSZACIVSA-N 0 1 283.375 3.525 20 0 CHADMN CCCCO[C@@H]1C[C@@H](NCc2nc(C)cs2)C1(C)C ZINC000344032820 1121061630 /nfs/dbraw/zinc/06/16/30/1121061630.db2.gz KGZKYKFDVCVTNI-CHWSQXEVSA-N 0 1 282.453 3.525 20 0 CHADMN COCC[C@H](N[C@@H](C)c1cccc(O)c1)c1ccc(C)o1 ZINC000282518400 1121065538 /nfs/dbraw/zinc/06/55/38/1121065538.db2.gz ZKNKYEKZXSMXTB-BBRMVZONSA-N 0 1 289.375 3.722 20 0 CHADMN CC(C)COCCNC(C)(C)c1nc2ccccc2s1 ZINC000625719727 1121066895 /nfs/dbraw/zinc/06/68/95/1121066895.db2.gz LDBZGCDBRONGHW-UHFFFAOYSA-N 0 1 292.448 3.794 20 0 CHADMN COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2cccc(C)n2)c1 ZINC000344063075 1121071533 /nfs/dbraw/zinc/07/15/33/1121071533.db2.gz NWSXBERBNCUXFO-KUHUBIRLSA-N 0 1 296.414 3.982 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1Cc2ccccc2[C@H]1C ZINC000344063687 1121071632 /nfs/dbraw/zinc/07/16/32/1121071632.db2.gz QAHLZVUIBBBUCW-GFCCVEGCSA-N 0 1 283.375 3.559 20 0 CHADMN CCc1nc([C@H](C)N[C@H]2C[C@@H](OC)C2(CC)CC)cs1 ZINC000344073662 1121073619 /nfs/dbraw/zinc/07/36/19/1121073619.db2.gz MFGHDOCCOBZMMZ-FPMFFAJLSA-N 0 1 296.480 3.950 20 0 CHADMN CCCCCC(C)(C)C(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001127685010 1128962659 /nfs/dbraw/zinc/96/26/59/1128962659.db2.gz ZOYUXECJACPHIB-LSDHHAIUSA-N 0 1 282.472 3.534 20 0 CHADMN CCCCCC(C)(C)C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC001127685010 1128962661 /nfs/dbraw/zinc/96/26/61/1128962661.db2.gz ZOYUXECJACPHIB-LSDHHAIUSA-N 0 1 282.472 3.534 20 0 CHADMN CCOC[C@H](C)NCc1cc(Cl)ccc1Cl ZINC000083697993 1121115815 /nfs/dbraw/zinc/11/58/15/1121115815.db2.gz XXQWNWSFKFSZAC-VIFPVBQESA-N 0 1 262.180 3.508 20 0 CHADMN CCC[C@H](C)NC(=O)c1c(O)cc(Cl)cc1Cl ZINC000674325192 1121119248 /nfs/dbraw/zinc/11/92/48/1121119248.db2.gz WQMZBLHAXGYUNS-ZETCQYMHSA-N 0 1 276.163 3.617 20 0 CHADMN C[C@H](O)c1ccc(CN[C@@H](C)c2ccccc2F)cc1 ZINC000178542210 1121122670 /nfs/dbraw/zinc/12/26/70/1121122670.db2.gz SQFWMXRWXZLELU-STQMWFEESA-N 0 1 273.351 3.730 20 0 CHADMN Fc1c(Br)ccc(CN[C@@H]2C=CCC2)c1F ZINC000701002835 1121131609 /nfs/dbraw/zinc/13/16/09/1121131609.db2.gz PJNUBVCVTJBYRW-SECBINFHSA-N 0 1 288.135 3.536 20 0 CHADMN Cc1ncncc1[C@@H](C)NCc1cc(Cl)cc(Cl)c1 ZINC000658056560 1121135833 /nfs/dbraw/zinc/13/58/33/1121135833.db2.gz XZVQZRRSHTUINL-SECBINFHSA-N 0 1 296.201 3.943 20 0 CHADMN CC[C@@](C)(NC(=O)c1n[nH]c2ccccc21)c1ccccc1 ZINC000261460792 1121142130 /nfs/dbraw/zinc/14/21/30/1121142130.db2.gz VOHCGZIITTXYJU-GOSISDBHSA-N 0 1 293.370 3.618 20 0 CHADMN C[C@H](CO)N(Cc1nc(C(C)(C)C)cs1)C1CCCC1 ZINC000351520118 1121142345 /nfs/dbraw/zinc/14/23/45/1121142345.db2.gz DUSOQIVGZMOCGP-GFCCVEGCSA-N 0 1 296.480 3.566 20 0 CHADMN CCOc1cc(F)c(Nc2ccc3nccn3c2)cc1F ZINC001175056602 1121143512 /nfs/dbraw/zinc/14/35/12/1121143512.db2.gz ZGABFKBCKNWYPZ-UHFFFAOYSA-N 0 1 289.285 3.755 20 0 CHADMN Oc1ccc2c(c1)CN(C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000625728203 1121146267 /nfs/dbraw/zinc/14/62/67/1121146267.db2.gz ZLYJSHZLAHVWRT-WMZOPIPTSA-N 0 1 265.356 3.512 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000319864396 1121149054 /nfs/dbraw/zinc/14/90/54/1121149054.db2.gz ZVURBVVLSFUPGV-IBGZPJMESA-N 0 1 297.398 3.773 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H](C)c1ccccc1C ZINC000187073840 1121154811 /nfs/dbraw/zinc/15/48/11/1121154811.db2.gz FHGIGAPLBMTCNN-KGLIPLIRSA-N 0 1 270.376 3.810 20 0 CHADMN CC(C)CC(C)(C)CNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000434342680 1121156481 /nfs/dbraw/zinc/15/64/81/1121156481.db2.gz RPSDNUOCWRFUKP-UHFFFAOYSA-N 0 1 291.370 3.504 20 0 CHADMN C/C=C\C[C@@H]1CCCN(Cc2ccsc2C(=O)OC)C1 ZINC001175045320 1121156971 /nfs/dbraw/zinc/15/69/71/1121156971.db2.gz PVZPNIIZXDKXQE-DHCBQETCSA-N 0 1 293.432 3.713 20 0 CHADMN Fc1ccc2c(c1)OCCN(CCCc1ccccc1)C2 ZINC001175044865 1121157197 /nfs/dbraw/zinc/15/71/97/1121157197.db2.gz KMSWTWUXGUTBJT-UHFFFAOYSA-N 0 1 285.362 3.653 20 0 CHADMN COC[C@H](NCc1ccc(Cl)s1)c1ccccc1 ZINC000226652460 1121160167 /nfs/dbraw/zinc/16/01/67/1121160167.db2.gz XHPJGJMDJHCDNR-ZDUSSCGKSA-N 0 1 281.808 3.879 20 0 CHADMN CC[N@H+](Cc1ccc(F)cc1Br)CC1CC1 ZINC000069238966 1121160943 /nfs/dbraw/zinc/16/09/43/1121160943.db2.gz MSWFILKFWWJNCY-UHFFFAOYSA-N 0 1 286.188 3.820 20 0 CHADMN CCN(Cc1ccc(F)cc1Br)CC1CC1 ZINC000069238966 1121160949 /nfs/dbraw/zinc/16/09/49/1121160949.db2.gz MSWFILKFWWJNCY-UHFFFAOYSA-N 0 1 286.188 3.820 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000033445282 1121161556 /nfs/dbraw/zinc/16/15/56/1121161556.db2.gz ZPLIHBVIYTZGNA-XJKSGUPXSA-N 0 1 275.392 3.668 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@@H](C)C(C)(C)C)cc1C(=O)[O-] ZINC000701831213 1121170295 /nfs/dbraw/zinc/17/02/95/1121170295.db2.gz WXAJZJLVUVNWJO-LBPRGKRZSA-N 0 1 263.381 3.560 20 0 CHADMN Cc1ccc(C[N@H+](CCC(C)C)C2CC2)cc1C(=O)[O-] ZINC000701829359 1121170658 /nfs/dbraw/zinc/17/06/58/1121170658.db2.gz GLQGJUXCUBQRDH-UHFFFAOYSA-N 0 1 275.392 3.704 20 0 CHADMN COc1ccc(F)c(Nc2nc3ccc(F)cc3o2)c1F ZINC001175116287 1121171027 /nfs/dbraw/zinc/17/10/27/1121171027.db2.gz MNNLUXYQAYKRHL-UHFFFAOYSA-N 0 1 294.232 3.997 20 0 CHADMN Cc1csc([C@H](C)N[C@H](C)COc2ccc(C)cc2)n1 ZINC000701890046 1121172931 /nfs/dbraw/zinc/17/29/31/1121172931.db2.gz LNLNTJZKIBWFAX-OCCSQVGLSA-N 0 1 290.432 3.878 20 0 CHADMN CSc1cccc(NC(=O)C[N@H+]2CCCCC[C@@H]2C)c1 ZINC000512193885 1121181377 /nfs/dbraw/zinc/18/13/77/1121181377.db2.gz DPVNAVKOVBQVHM-ZDUSSCGKSA-N 0 1 292.448 3.612 20 0 CHADMN CC(C)[C@H](NCc1cc(F)cc(Cl)c1)c1cnn(C)c1 ZINC000922894226 1121186868 /nfs/dbraw/zinc/18/68/68/1121186868.db2.gz NMRBBNWLDOYUKW-HNNXBMFYSA-N 0 1 295.789 3.700 20 0 CHADMN Clc1ccc2c(c1)CN(C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207631779 1121195092 /nfs/dbraw/zinc/19/50/92/1121195092.db2.gz KNJUBLJWUCHPBM-OUCADQQQSA-N 0 1 259.780 3.868 20 0 CHADMN C[C@@H]1CO[C@@H](c2ccccc2)CN1CCCOC(C)(C)C ZINC000674906630 1121195923 /nfs/dbraw/zinc/19/59/23/1121195923.db2.gz IIYNFVYSWQNWCG-NVXWUHKLSA-N 0 1 291.435 3.654 20 0 CHADMN CC(C)(C)OCCCN1CC[C@H]1c1cccc(F)c1 ZINC000674909820 1121196800 /nfs/dbraw/zinc/19/68/00/1121196800.db2.gz ULHUAEUXODHYCN-HNNXBMFYSA-N 0 1 265.372 3.778 20 0 CHADMN COC[C@H](N[C@H](C)c1ccsc1)c1cccc(OC)c1 ZINC000658165614 1121198627 /nfs/dbraw/zinc/19/86/27/1121198627.db2.gz SBDJAWVQFCFDDY-WBMJQRKESA-N 0 1 291.416 3.795 20 0 CHADMN CC(C)Oc1cc(F)cc(Nc2cc(=O)[nH]c(Cl)n2)c1 ZINC001175140637 1121199287 /nfs/dbraw/zinc/19/92/87/1121199287.db2.gz OLXINTCOWXIZBV-UHFFFAOYSA-N 0 1 297.717 3.506 20 0 CHADMN FC(F)(F)c1n[nH]c2c1CCN(C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207632419 1121199403 /nfs/dbraw/zinc/19/94/03/1121199403.db2.gz ODTJNSYNBUKTPB-MIJXAVMKSA-N 0 1 297.324 3.555 20 0 CHADMN Fc1cc(Nc2ccnn2-c2ccncc2)ccc1Cl ZINC001175205329 1121207581 /nfs/dbraw/zinc/20/75/81/1121207581.db2.gz KOHSVFIMVGBBSN-UHFFFAOYSA-N 0 1 288.713 3.803 20 0 CHADMN C[C@H](NCc1ccc(C2CC2)cc1)c1ccccn1 ZINC000094517985 1121209812 /nfs/dbraw/zinc/20/98/12/1121209812.db2.gz QKOWZQKHRIHMIN-ZDUSSCGKSA-N 0 1 252.361 3.810 20 0 CHADMN CC(=O)c1ccccc1Nc1c(C)nc2ccc(F)cn21 ZINC001175176669 1121217757 /nfs/dbraw/zinc/21/77/57/1121217757.db2.gz IPRJQLGNUMAIJW-UHFFFAOYSA-N 0 1 283.306 3.728 20 0 CHADMN c1[nH]nc2cc(NCc3ccc4ncccc4c3)ccc12 ZINC000069501949 1121218267 /nfs/dbraw/zinc/21/82/67/1121218267.db2.gz CYGRVWDYEYDTDI-UHFFFAOYSA-N 0 1 274.327 3.723 20 0 CHADMN CCCCN(C(=O)Cc1ccn[nH]1)[C@@H](CC)c1ccccc1 ZINC000173596297 1121218734 /nfs/dbraw/zinc/21/87/34/1121218734.db2.gz FKGISHZMOYBYOX-KRWDZBQOSA-N 0 1 299.418 3.732 20 0 CHADMN CC[C@@H](NCc1cc2cc(C)ccc2o1)c1cnn(C)c1 ZINC000658201439 1121221463 /nfs/dbraw/zinc/22/14/63/1121221463.db2.gz SKYVXIGMFPUHMK-MRXNPFEDSA-N 0 1 283.375 3.716 20 0 CHADMN Cc1nc([C@H]2CCN([C@@H](C)c3ccccc3Cl)C2)no1 ZINC000931951135 1121222860 /nfs/dbraw/zinc/22/28/60/1121222860.db2.gz SUGMVWSCRRLPLL-JQWIXIFHSA-N 0 1 291.782 3.582 20 0 CHADMN CC[C@@]1(C)CCN(Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000675186922 1121228837 /nfs/dbraw/zinc/22/88/37/1121228837.db2.gz RPXGZRPYIPKVEU-KRWDZBQOSA-N 0 1 287.382 3.633 20 0 CHADMN CC(=O)c1ccc(Nc2ccccc2CN(C)C)cc1F ZINC001175234027 1121235925 /nfs/dbraw/zinc/23/59/25/1121235925.db2.gz KUJJGZDFCYJCMU-UHFFFAOYSA-N 0 1 286.350 3.834 20 0 CHADMN CCOc1cccc(Nc2ccnn2-c2ccncc2)c1F ZINC001175236970 1121237973 /nfs/dbraw/zinc/23/79/73/1121237973.db2.gz XFMRDZJVNDZRTO-UHFFFAOYSA-N 0 1 298.321 3.549 20 0 CHADMN Oc1ccc2c(c1)[C@H](N[C@@H]1CCCc3occc31)CC2 ZINC000658234426 1121239529 /nfs/dbraw/zinc/23/95/29/1121239529.db2.gz AEDYQBJRUZMYKP-HZPDHXFCSA-N 0 1 269.344 3.640 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2c(O)cccc2F)C1 ZINC000436704429 1121239641 /nfs/dbraw/zinc/23/96/41/1121239641.db2.gz LYVZZPFPPRHMDA-WFASDCNBSA-N 0 1 299.345 3.755 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@@H]2CCc3ccc(O)cc32)cn1 ZINC000658242251 1121247656 /nfs/dbraw/zinc/24/76/56/1121247656.db2.gz YNJAHCAYJLKTJG-YVEFUNNKSA-N 0 1 285.391 3.508 20 0 CHADMN Cc1ccncc1CN[C@H](C)c1ccc(F)c(F)c1 ZINC000123220662 1121262550 /nfs/dbraw/zinc/26/25/50/1121262550.db2.gz YFAUVFDTNYRZFF-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN Cc1cccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)c1C ZINC000007774403 1121272518 /nfs/dbraw/zinc/27/25/18/1121272518.db2.gz DTTGVPLEVQIZEN-UHFFFAOYSA-N 0 1 291.354 3.946 20 0 CHADMN Cc1ccc(NC(=O)CN2CCC[C@@H]2CC(C)C)c(F)c1 ZINC000500467895 1121282620 /nfs/dbraw/zinc/28/26/20/1121282620.db2.gz UUXZRDWUYXLQFO-CQSZACIVSA-N 0 1 292.398 3.583 20 0 CHADMN C[C@@H](NCCc1ccns1)c1c(F)cccc1Cl ZINC000709790020 1121282633 /nfs/dbraw/zinc/28/26/33/1121282633.db2.gz GGLOGUXZVBEJTQ-SECBINFHSA-N 0 1 284.787 3.829 20 0 CHADMN Cc1ccc(NC(=O)CN2CCC[C@H]2CC(C)C)c(F)c1 ZINC000500467892 1121283005 /nfs/dbraw/zinc/28/30/05/1121283005.db2.gz UUXZRDWUYXLQFO-AWEZNQCLSA-N 0 1 292.398 3.583 20 0 CHADMN COc1cc(Nc2cnc3cccc(C)n23)ccc1F ZINC001175397359 1121291567 /nfs/dbraw/zinc/29/15/67/1121291567.db2.gz ZIGJMHCVIXXLKS-UHFFFAOYSA-N 0 1 271.295 3.534 20 0 CHADMN C[C@H]1CCCN(Cc2nc3ccc(F)cc3s2)C1 ZINC000432738499 1121301882 /nfs/dbraw/zinc/30/18/82/1121301882.db2.gz KGIAFTHWNSXWFA-JTQLQIEISA-N 0 1 264.369 3.667 20 0 CHADMN CCCCN(C)Cc1nc2ccc(F)cc2s1 ZINC000432740923 1121307195 /nfs/dbraw/zinc/30/71/95/1121307195.db2.gz IVNHKIVRQXEYBS-UHFFFAOYSA-N 0 1 252.358 3.667 20 0 CHADMN CCc1nc(C)c(CNCc2ccccc2C2CC2)o1 ZINC000312391154 1121311166 /nfs/dbraw/zinc/31/11/66/1121311166.db2.gz IUUWWNHWOALWML-UHFFFAOYSA-N 0 1 270.376 3.713 20 0 CHADMN C[C@H](NCC(F)(F)C(C)(C)C)C1CCSCC1 ZINC000658336414 1121313938 /nfs/dbraw/zinc/31/39/38/1121313938.db2.gz DPLKYZWMUQXUSC-JTQLQIEISA-N 0 1 265.413 3.789 20 0 CHADMN COc1cc([C@@H](C)N[C@H](CC2CC2)c2ccccc2)on1 ZINC000925866876 1121319254 /nfs/dbraw/zinc/31/92/54/1121319254.db2.gz ZXKUVVPQAXOCNG-IUODEOHRSA-N 0 1 286.375 3.875 20 0 CHADMN COC[C@H]1CCCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000432748585 1121320051 /nfs/dbraw/zinc/32/00/51/1121320051.db2.gz PZSMABFIDMSULQ-JTQLQIEISA-N 0 1 293.354 3.625 20 0 CHADMN CCCc1ccc(CN(C)Cc2cccn2C)cc1 ZINC000675505860 1121323102 /nfs/dbraw/zinc/32/31/02/1121323102.db2.gz KWOHDJJNHJKLSF-UHFFFAOYSA-N 0 1 256.393 3.610 20 0 CHADMN CCOc1cccc(CN[C@@H]2CCc3ccc(C)cc32)n1 ZINC000675641024 1121331329 /nfs/dbraw/zinc/33/13/29/1121331329.db2.gz JBJOLXIVPVETKD-QGZVFWFLSA-N 0 1 282.387 3.566 20 0 CHADMN COc1ccnc(CN2CCc3ccccc3[C@H]2C(C)C)c1 ZINC000675643794 1121332718 /nfs/dbraw/zinc/33/27/18/1121332718.db2.gz MRHXXSBBWXMRGS-LJQANCHMSA-N 0 1 296.414 3.846 20 0 CHADMN CC1(CN2CCc3c4ccccc4[nH]c3C2)CCC1 ZINC000432773267 1121333552 /nfs/dbraw/zinc/33/35/52/1121333552.db2.gz DGTKDJAYBOZRFJ-UHFFFAOYSA-N 0 1 254.377 3.716 20 0 CHADMN CC(C)(CC(=O)Nc1cc(F)cc(Cl)c1O)C1CC1 ZINC000500652711 1121335834 /nfs/dbraw/zinc/33/58/34/1121335834.db2.gz QIHSYZNNQDMWIC-UHFFFAOYSA-N 0 1 285.746 3.950 20 0 CHADMN C[C@@H](NCc1ccnn1CC1CCC1)c1ccccc1 ZINC000631032436 1128980236 /nfs/dbraw/zinc/98/02/36/1128980236.db2.gz CYRZIGXCVHHLNU-CQSZACIVSA-N 0 1 269.392 3.534 20 0 CHADMN Cc1nc2cc(Nc3cc(N)cc(Cl)c3)ccc2[nH]1 ZINC001213077474 1121337480 /nfs/dbraw/zinc/33/74/80/1121337480.db2.gz ZOLISLTWNDNXQL-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1ncccc1CN1CCC[C@](F)(c2ccccc2)C1 ZINC001175491063 1121342218 /nfs/dbraw/zinc/34/22/18/1121342218.db2.gz IXCWQEKEWGBDKF-GOSISDBHSA-N 0 1 284.378 3.851 20 0 CHADMN Cc1cc(Nc2cccc3cn(C)nc32)c2ccccc2n1 ZINC001175455200 1121347674 /nfs/dbraw/zinc/34/76/74/1121347674.db2.gz DEHRIXLHWBOESS-UHFFFAOYSA-N 0 1 288.354 3.595 20 0 CHADMN CCCc1cc(N=C2CCN(Cc3ccccc3)CC2)on1 ZINC001175504734 1121350853 /nfs/dbraw/zinc/35/08/53/1121350853.db2.gz CPGCCYAETQMGDR-UHFFFAOYSA-N 0 1 297.402 3.829 20 0 CHADMN COCc1ccc(CN[C@@H]2CCc3ccc(C)cc32)o1 ZINC000675761517 1121351913 /nfs/dbraw/zinc/35/19/13/1121351913.db2.gz GKIDVTAWWWOWRL-QGZVFWFLSA-N 0 1 271.360 3.512 20 0 CHADMN COc1ncc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)s1 ZINC001139818355 1121352695 /nfs/dbraw/zinc/35/26/95/1121352695.db2.gz FANWCKZFFDXSTB-CYBMUJFWSA-N 0 1 280.437 3.554 20 0 CHADMN Cc1occc1CN[C@@H]1CSCc2ccccc21 ZINC000675778955 1121355158 /nfs/dbraw/zinc/35/51/58/1121355158.db2.gz CGYPMLODXVCJKP-OAHLLOKOSA-N 0 1 259.374 3.666 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1ccoc1C)CCCO2 ZINC000675779173 1121355264 /nfs/dbraw/zinc/35/52/64/1121355264.db2.gz IUULGXXQPRHUQC-MRXNPFEDSA-N 0 1 287.359 3.600 20 0 CHADMN CSc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)s1 ZINC000356300438 1121357308 /nfs/dbraw/zinc/35/73/08/1121357308.db2.gz KTJQSXSBRZRKJK-OLZOCXBDSA-N 0 1 283.462 3.613 20 0 CHADMN Cc1cc(N)cc2c1ccn2-c1cc2cn[nH]c2c(C)c1 ZINC001175519405 1121359348 /nfs/dbraw/zinc/35/93/48/1121359348.db2.gz IBLCXJBCCLMEPN-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2CSCc3ccccc32)c(C)n1 ZINC000675782480 1121361393 /nfs/dbraw/zinc/36/13/93/1121361393.db2.gz GHCTVAOETGWQCF-YVEFUNNKSA-N 0 1 299.443 3.732 20 0 CHADMN Cc1cc(Nc2c3cn[nH]c3ccc2C)n(CC2CCC2)n1 ZINC001175522925 1121362669 /nfs/dbraw/zinc/36/26/69/1121362669.db2.gz BIWROLFPNDCCNZ-UHFFFAOYSA-N 0 1 295.390 3.920 20 0 CHADMN CC(=O)c1sccc1Nc1c2cn[nH]c2ccc1C ZINC001175523836 1121362813 /nfs/dbraw/zinc/36/28/13/1121362813.db2.gz OMWQQEAPXKYTKJ-UHFFFAOYSA-N 0 1 271.345 3.879 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(Cl)cnc1C ZINC001175523256 1121363631 /nfs/dbraw/zinc/36/36/31/1121363631.db2.gz CHIJWOHALKVAEL-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@H](C)c1ccc(C)s1 ZINC000675808075 1121363913 /nfs/dbraw/zinc/36/39/13/1121363913.db2.gz IZQUQGCOFNEESR-CYBMUJFWSA-N 0 1 290.432 3.928 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(Cl)ncc1F ZINC001175524799 1121364644 /nfs/dbraw/zinc/36/46/44/1121364644.db2.gz XBPXSXGTTYOCPR-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2c(c1)CCO2 ZINC001175525797 1121364691 /nfs/dbraw/zinc/36/46/91/1121364691.db2.gz FXDPJSHUTKPEDP-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2nccnc2c1 ZINC001175525785 1121366072 /nfs/dbraw/zinc/36/60/72/1121366072.db2.gz IUMFSUGACCRSLK-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN CCOC(=O)c1cccc(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175526353 1121369122 /nfs/dbraw/zinc/36/91/22/1121369122.db2.gz MMLDCIIYJSJUMC-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN Cc1ccc2[nH]ncc2c1N1CCCc2cccc(N)c21 ZINC001175527793 1121370657 /nfs/dbraw/zinc/37/06/57/1121370657.db2.gz VWVOQLDWXUDVFS-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN CCc1cccc(N[C@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000675859138 1121374651 /nfs/dbraw/zinc/37/46/51/1121374651.db2.gz IOCSWBQNOOWVSZ-INIZCTEOSA-N 0 1 278.359 3.569 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc(Cl)cc(Cl)c2)[nH]n1 ZINC000675893750 1121376351 /nfs/dbraw/zinc/37/63/51/1121376351.db2.gz UHRRUALLDWIHEX-VIFPVBQESA-N 0 1 284.190 3.876 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000675893750 1121376359 /nfs/dbraw/zinc/37/63/59/1121376359.db2.gz UHRRUALLDWIHEX-VIFPVBQESA-N 0 1 284.190 3.876 20 0 CHADMN Cc1cc(CN[C@H]2CCSc3c(Cl)cccc32)[nH]n1 ZINC000675893541 1121377185 /nfs/dbraw/zinc/37/71/85/1121377185.db2.gz OFTBPAWHHDEEMT-ZDUSSCGKSA-N 0 1 293.823 3.698 20 0 CHADMN Cc1cc(CN[C@H]2CCSc3c(Cl)cccc32)n[nH]1 ZINC000675893541 1121377193 /nfs/dbraw/zinc/37/71/93/1121377193.db2.gz OFTBPAWHHDEEMT-ZDUSSCGKSA-N 0 1 293.823 3.698 20 0 CHADMN CC[C@@H](N[C@H]1CCOc2c(OC)cccc21)c1ccncc1 ZINC000675900798 1121378529 /nfs/dbraw/zinc/37/85/29/1121378529.db2.gz PAHOGWSDOWKMAZ-CVEARBPZSA-N 0 1 298.386 3.655 20 0 CHADMN C[C@@H](N[C@@H](Cc1nccn1C)c1ccccc1)c1ccoc1 ZINC000675917814 1121382005 /nfs/dbraw/zinc/38/20/05/1121382005.db2.gz FNCMSZDZIGGWBY-PBHICJAKSA-N 0 1 295.386 3.648 20 0 CHADMN Cc1ccc(N[C@@H](c2nnc[nH]2)c2ccccc2)c(Cl)c1 ZINC000675925131 1121383369 /nfs/dbraw/zinc/38/33/69/1121383369.db2.gz MQQZGFFVBSVZRY-OAHLLOKOSA-N 0 1 298.777 3.968 20 0 CHADMN Cc1ccc(F)c(CN(C)Cc2ccc3c(c2)CCO3)c1 ZINC000432819034 1121384796 /nfs/dbraw/zinc/38/47/96/1121384796.db2.gz WSGUGTIIGRSKAY-UHFFFAOYSA-N 0 1 285.362 3.701 20 0 CHADMN CC(C)CC[C@H]1CCC[N@H+]1Cc1nnc(C(C)(C)C)[nH]1 ZINC000432819353 1121385513 /nfs/dbraw/zinc/38/55/13/1121385513.db2.gz GSFMRMWYJYMUKB-CYBMUJFWSA-N 0 1 278.444 3.503 20 0 CHADMN CCCCC[C@H]1CCC[N@H+]1Cc1nnc(C(C)(C)C)[nH]1 ZINC000432820530 1121386289 /nfs/dbraw/zinc/38/62/89/1121386289.db2.gz IXHUZADUOALHSY-ZDUSSCGKSA-N 0 1 278.444 3.647 20 0 CHADMN Oc1cccc2c1CC[C@H]2NCc1ccc(C(F)F)nc1 ZINC000631065549 1128982074 /nfs/dbraw/zinc/98/20/74/1128982074.db2.gz XCKRPQDUEWWVTE-CYBMUJFWSA-N 0 1 290.313 3.502 20 0 CHADMN C[C@H](N[C@H]1CCCC1(C)C)c1noc(-c2ccccc2)n1 ZINC000675937230 1121388104 /nfs/dbraw/zinc/38/81/04/1121388104.db2.gz UGBYGKYIWRQVIF-JSGCOSHPSA-N 0 1 285.391 3.966 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000509536924 1121390219 /nfs/dbraw/zinc/39/02/19/1121390219.db2.gz BXVZDWCTJUVYPG-CQSZACIVSA-N 0 1 269.392 3.699 20 0 CHADMN CCC[C@H](NCCOC1CCC1)c1ncccc1Cl ZINC000925894657 1121391588 /nfs/dbraw/zinc/39/15/88/1121391588.db2.gz ICJOIPFXLPDVPY-AWEZNQCLSA-N 0 1 282.815 3.735 20 0 CHADMN CN1CCC=C(Nc2cccnc2Oc2ccc(F)cc2)C1 ZINC001175575560 1121393382 /nfs/dbraw/zinc/39/33/82/1121393382.db2.gz ZTRHQEMNXPUXJO-UHFFFAOYSA-N 0 1 299.349 3.644 20 0 CHADMN CN1CCC=C(Nc2ccc(Cl)c(Cl)c2)C1 ZINC001175576417 1121397502 /nfs/dbraw/zinc/39/75/02/1121397502.db2.gz IQWVXPMGTZRCSL-UHFFFAOYSA-N 0 1 257.164 3.625 20 0 CHADMN FC(F)c1ccc(C[N@H+]2CCC[C@H]2c2cnccn2)cc1 ZINC001143251885 1121398443 /nfs/dbraw/zinc/39/84/43/1121398443.db2.gz ZWDLYJRUEVWMED-HNNXBMFYSA-N 0 1 289.329 3.751 20 0 CHADMN FC(F)c1ccc(CN2CCC[C@H]2c2cnccn2)cc1 ZINC001143251885 1121398452 /nfs/dbraw/zinc/39/84/52/1121398452.db2.gz ZWDLYJRUEVWMED-HNNXBMFYSA-N 0 1 289.329 3.751 20 0 CHADMN CCc1noc(CN2CCC[C@@H]2CCC2CCCC2)n1 ZINC000676041945 1121399194 /nfs/dbraw/zinc/39/91/94/1121399194.db2.gz QFXFHXUXIUACJZ-CQSZACIVSA-N 0 1 277.412 3.567 20 0 CHADMN Cc1ccc(C(F)(F)F)c(NC2=CCCN(C)C2)c1 ZINC001175581223 1121399588 /nfs/dbraw/zinc/39/95/88/1121399588.db2.gz ZYAKBPJNWQPFSW-UHFFFAOYSA-N 0 1 270.298 3.645 20 0 CHADMN Cc1occc1CNCc1cnc(C2CCCC2)s1 ZINC000676044332 1121401412 /nfs/dbraw/zinc/40/14/12/1121401412.db2.gz IJRUTURVDWJSLY-UHFFFAOYSA-N 0 1 276.405 3.992 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cncc(OC)c1 ZINC000676154391 1121409997 /nfs/dbraw/zinc/40/99/97/1121409997.db2.gz SPFOHSQMQCGVLB-GOSISDBHSA-N 0 1 282.387 3.600 20 0 CHADMN CSC[C@H](C)N[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000345051855 1121411945 /nfs/dbraw/zinc/41/19/45/1121411945.db2.gz AIWMGYCMILSGBW-LRDDRELGSA-N 0 1 290.407 3.651 20 0 CHADMN Cc1cc(CN[C@@H]2CCCOc3c(C(C)C)cccc32)[nH]n1 ZINC000676235309 1121414469 /nfs/dbraw/zinc/41/44/69/1121414469.db2.gz FIDKWFDZUQDLHF-QGZVFWFLSA-N 0 1 299.418 3.845 20 0 CHADMN Cc1cc(CN[C@@H]2CCCOc3c(C(C)C)cccc32)n[nH]1 ZINC000676235309 1121414472 /nfs/dbraw/zinc/41/44/72/1121414472.db2.gz FIDKWFDZUQDLHF-QGZVFWFLSA-N 0 1 299.418 3.845 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(-c4ccncc4)no3)cc12 ZINC001175695250 1121415035 /nfs/dbraw/zinc/41/50/35/1121415035.db2.gz ZWSPQXKGAVITPN-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4nsnc4c3)cc21 ZINC001175699146 1121416316 /nfs/dbraw/zinc/41/63/16/1121416316.db2.gz JHKIXEDEJBBGBH-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cnc(Cl)cc3C)cc12 ZINC001175696066 1121416899 /nfs/dbraw/zinc/41/68/99/1121416899.db2.gz PRJOHPHPYVMGNQ-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1ccc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)c(F)c1 ZINC000631082080 1128984033 /nfs/dbraw/zinc/98/40/33/1128984033.db2.gz CRMNXPWHXMXHOF-INIZCTEOSA-N 0 1 289.398 3.745 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4c(c3)nn(C)c4C)cc21 ZINC001175700525 1121417658 /nfs/dbraw/zinc/41/76/58/1121417658.db2.gz NFRKJQYCPPQISH-UHFFFAOYSA-N 0 1 291.358 3.810 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(-n4ccnc4)cc3)cc12 ZINC001175700118 1121417978 /nfs/dbraw/zinc/41/79/78/1121417978.db2.gz VEPFTGLENKMARI-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1nn(C)c2cc(Nc3ccc4n[nH]c(C)c4c3)ccc12 ZINC001175700724 1121419549 /nfs/dbraw/zinc/41/95/49/1121419549.db2.gz ULQAJZVYQKBXPI-UHFFFAOYSA-N 0 1 291.358 3.810 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4c3OCCC4)cc21 ZINC001175702653 1121421136 /nfs/dbraw/zinc/42/11/36/1121421136.db2.gz SFDUSSLIUOVNAE-UHFFFAOYSA-N 0 1 279.343 3.940 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(C)nc3C)ccc21 ZINC001175656463 1121422059 /nfs/dbraw/zinc/42/20/59/1121422059.db2.gz DIYDHQNKBMYFCD-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN Cc1[nH]nc2cc(Nc3cnc4c(c3)CCCC4)ccc21 ZINC001175656507 1121422095 /nfs/dbraw/zinc/42/20/95/1121422095.db2.gz GJHGFSQJHSNDSA-UHFFFAOYSA-N 0 1 278.359 3.889 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(OC(F)F)nc3)ccc12 ZINC001175657702 1121422866 /nfs/dbraw/zinc/42/28/66/1121422866.db2.gz XEWPHSDJACNMIF-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(=O)[nH]n3C3CCCC3)ccc12 ZINC001175659220 1121423461 /nfs/dbraw/zinc/42/34/61/1121423461.db2.gz HGAWVQPGMVLAQX-UHFFFAOYSA-N 0 1 297.362 3.632 20 0 CHADMN Cc1[nH]nc2cc(Nc3c(Cl)cncc3Cl)ccc12 ZINC001175658511 1121423476 /nfs/dbraw/zinc/42/34/76/1121423476.db2.gz ZCTOKCNTQKBTMD-UHFFFAOYSA-N 0 1 293.157 3.739 20 0 CHADMN Cc1[nH]nc2cc(Nc3cnc4occc4c3)ccc12 ZINC001175660768 1121424075 /nfs/dbraw/zinc/42/40/75/1121424075.db2.gz UWOLHZNIGXITGB-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccnc3C3CC3)ccc21 ZINC001175659701 1121424445 /nfs/dbraw/zinc/42/44/45/1121424445.db2.gz GIGSQAQSCIOVGG-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN CCC(=O)Nc1cccc(Nc2ccc3c(C)[nH]nc3c2)c1 ZINC001175662400 1121425950 /nfs/dbraw/zinc/42/59/50/1121425950.db2.gz KJLKKTRXYWESBN-UHFFFAOYSA-N 0 1 294.358 3.963 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc(O)c3C)ccc12 ZINC001175662875 1121427327 /nfs/dbraw/zinc/42/73/27/1121427327.db2.gz HSZCCMQTYGIUPC-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4[nH]c(=O)ccc34)cc12 ZINC001175703100 1121428782 /nfs/dbraw/zinc/42/87/82/1121428782.db2.gz XORTVTLVOQXXFW-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cn(C)nc2C(C)(C)C)c1 ZINC000432885161 1121431545 /nfs/dbraw/zinc/43/15/45/1121431545.db2.gz KEANJBCKQSWSMV-UHFFFAOYSA-N 0 1 299.462 3.966 20 0 CHADMN CCOc1ccc(CN2CCCCCC2)c(F)c1F ZINC001143269123 1121433261 /nfs/dbraw/zinc/43/32/61/1121433261.db2.gz JTZWMNODJGRZHM-UHFFFAOYSA-N 0 1 269.335 3.740 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@](C)(O)CCC(C)C)c(C)s1 ZINC000676493305 1121436476 /nfs/dbraw/zinc/43/64/76/1121436476.db2.gz VKUDRZVLCWMQHO-ABAIWWIYSA-N 0 1 284.469 3.598 20 0 CHADMN Cc1noc2ncc(CN(Cc3ccccc3)C3CC3)cc12 ZINC000893919967 1121441848 /nfs/dbraw/zinc/44/18/48/1121441848.db2.gz NFRIQEPGUKDPDO-UHFFFAOYSA-N 0 1 293.370 3.696 20 0 CHADMN Cc1cc(F)ncc1CN1CC[C@H](C(F)(F)F)C1(C)C ZINC000893942038 1121443322 /nfs/dbraw/zinc/44/33/22/1121443322.db2.gz XZPZTFSNZXAFDI-NSHDSACASA-N 0 1 290.304 3.692 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1ocnc1C ZINC000893945696 1121444836 /nfs/dbraw/zinc/44/48/36/1121444836.db2.gz KCECZZGUCVORFZ-MRXNPFEDSA-N 0 1 286.375 3.501 20 0 CHADMN Fc1cc2c(cc1F)CN(CCCc1ccccc1)CC2 ZINC001175741367 1121445540 /nfs/dbraw/zinc/44/55/40/1121445540.db2.gz JELNOGYPWKPFTM-UHFFFAOYSA-N 0 1 287.353 3.956 20 0 CHADMN Cc1cc([C@@H]2CCCN2C/C=C\c2cccc(F)c2)on1 ZINC000893994903 1121449930 /nfs/dbraw/zinc/44/99/30/1121449930.db2.gz MBKQWJFKBCOHMT-UYZDIKGJSA-N 0 1 286.350 3.972 20 0 CHADMN CC[C@H](NCc1ccc(C(F)F)nc1)c1c(C)noc1C ZINC000631101599 1128985460 /nfs/dbraw/zinc/98/54/60/1128985460.db2.gz NVUWHQUIWMLTEY-LBPRGKRZSA-N 0 1 295.333 3.865 20 0 CHADMN COc1cccc(CN2CCOc3ccccc3[C@@H]2C)c1 ZINC000676675156 1121456163 /nfs/dbraw/zinc/45/61/63/1121456163.db2.gz AESBMUWOHLONEH-AWEZNQCLSA-N 0 1 283.371 3.651 20 0 CHADMN Fc1ccc(OC(F)(F)F)cc1CN1CCC[C@@H]2C[C@@H]21 ZINC001143551439 1121466705 /nfs/dbraw/zinc/46/67/05/1121466705.db2.gz YKKBUEHDRIKHOG-RNCFNFMXSA-N 0 1 289.272 3.709 20 0 CHADMN Cc1coc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000894087943 1121467540 /nfs/dbraw/zinc/46/75/40/1121467540.db2.gz IAUNSHCRSGKPSQ-HIFRSBDPSA-N 0 1 291.416 3.738 20 0 CHADMN C[C@H](C[N@H+]1CCCC[C@H]1CCC(=O)[O-])CC(C)(C)C ZINC000709118751 1121468428 /nfs/dbraw/zinc/46/84/28/1121468428.db2.gz PMQUIMNYHZMOGH-KBPBESRZSA-N 0 1 269.429 3.778 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@H](C)c2cccc(C)c2)c1 ZINC000512549674 1121471108 /nfs/dbraw/zinc/47/11/08/1121471108.db2.gz VCUNEQOEBDQERM-GFCCVEGCSA-N 0 1 297.354 3.645 20 0 CHADMN CCc1ccccc1CCN1CCCC[C@@H]1c1ncccn1 ZINC001175845906 1121472209 /nfs/dbraw/zinc/47/22/09/1121472209.db2.gz SBLGASKMBDGCEJ-GOSISDBHSA-N 0 1 295.430 3.809 20 0 CHADMN C[C@H](NCc1ccc(C(C)(C)C)cc1)c1cn(C)cn1 ZINC000710145121 1121473503 /nfs/dbraw/zinc/47/35/03/1121473503.db2.gz FLALFAVRMYGITA-ZDUSSCGKSA-N 0 1 271.408 3.568 20 0 CHADMN CC[C@@H](N[C@H](C)c1cn(C)cn1)c1cccc(Cl)c1 ZINC000710005198 1121473531 /nfs/dbraw/zinc/47/35/31/1121473531.db2.gz GAUAGYMWYXZVOE-BXUZGUMPSA-N 0 1 277.799 3.875 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)s2)C[C@@]1(C)C(=O)[O-] ZINC000710266526 1121474817 /nfs/dbraw/zinc/47/48/17/1121474817.db2.gz LEEVPBVPVGUVKH-BDJLRTHQSA-N 0 1 295.448 3.588 20 0 CHADMN C[C@H](N[C@H]1COC[C@H]1C)c1cc(Cl)sc1Cl ZINC000711104215 1121475662 /nfs/dbraw/zinc/47/56/62/1121475662.db2.gz FUNOBPIUBQHJEG-FJXKBIBVSA-N 0 1 280.220 3.740 20 0 CHADMN Cc1noc([C@@H](N[C@H](C)CCCC(C)C)C(C)C)n1 ZINC000168059462 1121476511 /nfs/dbraw/zinc/47/65/11/1121476511.db2.gz KLOXAOMDPXQNHD-OCCSQVGLSA-N 0 1 267.417 3.880 20 0 CHADMN Cc1ccc(F)c(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000512584442 1121483945 /nfs/dbraw/zinc/48/39/45/1121483945.db2.gz YSXDKBWSHJDBMV-KRWDZBQOSA-N 0 1 284.378 3.821 20 0 CHADMN COc1cccc(C[N@@H+](Cc2ccc(C)o2)C2CC2)c1 ZINC000051965869 1121484114 /nfs/dbraw/zinc/48/41/14/1121484114.db2.gz NOAMWRKFPUREMJ-UHFFFAOYSA-N 0 1 271.360 3.761 20 0 CHADMN COc1cccc(CN(Cc2ccc(C)o2)C2CC2)c1 ZINC000051965869 1121484119 /nfs/dbraw/zinc/48/41/19/1121484119.db2.gz NOAMWRKFPUREMJ-UHFFFAOYSA-N 0 1 271.360 3.761 20 0 CHADMN CC(C)(C)Oc1cccc(CN2CCCC(F)(F)CC2)n1 ZINC000625770138 1121491343 /nfs/dbraw/zinc/49/13/43/1121491343.db2.gz HAIPEJRQWRBACI-UHFFFAOYSA-N 0 1 298.377 3.880 20 0 CHADMN COc1cccc(CN2CCCC(F)(F)CC2)c1Cl ZINC000625771183 1121492091 /nfs/dbraw/zinc/49/20/91/1121492091.db2.gz CDBPXPFIPMOHIT-UHFFFAOYSA-N 0 1 289.753 3.970 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c(Cl)c1OC ZINC000512609704 1121494136 /nfs/dbraw/zinc/49/41/36/1121494136.db2.gz PIMGRTGCNUZYIK-NEPJUHHUSA-N 0 1 297.826 3.978 20 0 CHADMN COc1ccc(CN2CCC[C@@H](C)[C@@H]2C)c(Cl)c1OC ZINC000512609704 1121494139 /nfs/dbraw/zinc/49/41/39/1121494139.db2.gz PIMGRTGCNUZYIK-NEPJUHHUSA-N 0 1 297.826 3.978 20 0 CHADMN CC(C)(C)c1coc(CNC[C@@H]2CC(C)(C)OC2(C)C)n1 ZINC000922948273 1121495988 /nfs/dbraw/zinc/49/59/88/1121495988.db2.gz GKYYQSWVIOIBTP-LBPRGKRZSA-N 0 1 294.439 3.655 20 0 CHADMN CSC[C@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000429272396 1121497076 /nfs/dbraw/zinc/49/70/76/1121497076.db2.gz JNLZKOYXSLOTSO-NSHDSACASA-N 0 1 271.376 3.540 20 0 CHADMN Cc1c(CN2CC[C@@H](F)C(F)(F)CC2)ccc(F)c1F ZINC001237154320 1128988437 /nfs/dbraw/zinc/98/84/37/1128988437.db2.gz NAEJVLFEWFIHOJ-GFCCVEGCSA-N 0 1 293.279 3.842 20 0 CHADMN C[C@H](N[C@@H]1CC2CCC1CC2)c1noc(-c2ccccc2)n1 ZINC000432986623 1121504700 /nfs/dbraw/zinc/50/47/00/1121504700.db2.gz RPNSWOHXPDMEOB-WLIAPVHPSA-N 0 1 297.402 3.966 20 0 CHADMN CCc1onc(C)c1CNCc1ccccc1C(F)(F)F ZINC000922989044 1121506255 /nfs/dbraw/zinc/50/62/55/1121506255.db2.gz WZALGKJBTXWBEI-UHFFFAOYSA-N 0 1 298.308 3.854 20 0 CHADMN CO[C@@H](C)c1nc(CN2CCCC3(CC3)CC2)cs1 ZINC000626113763 1121508543 /nfs/dbraw/zinc/50/85/43/1121508543.db2.gz FOXFUGZQEQXAFE-LBPRGKRZSA-N 0 1 280.437 3.617 20 0 CHADMN C[C@H]1CCCN(Cc2nc3cc(Cl)ccc3n2C)[C@H]1C ZINC000512652075 1121509604 /nfs/dbraw/zinc/50/96/04/1121509604.db2.gz HVJBHDUAYWBVSC-RYUDHWBXSA-N 0 1 291.826 3.847 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccccc1C1CC1 ZINC000316688911 1121509882 /nfs/dbraw/zinc/50/98/82/1121509882.db2.gz GGBXDUSJGUVXBR-QGTPRVQTSA-N 0 1 299.414 3.782 20 0 CHADMN COC(=O)[C@@H](c1ccccc1C)N(C)C[C@@H](C)C(C)(C)C ZINC001175982470 1121511786 /nfs/dbraw/zinc/51/17/86/1121511786.db2.gz GNTWQUXEIFMBFK-GDBMZVCRSA-N 0 1 291.435 3.823 20 0 CHADMN Cc1cc(CN[C@]2(C)CCOc3ccccc32)c(C)o1 ZINC000923023861 1121514242 /nfs/dbraw/zinc/51/42/42/1121514242.db2.gz DTUWIIYWZIDESW-QGZVFWFLSA-N 0 1 271.360 3.684 20 0 CHADMN C[C@@]1(NCc2ccccc2F)CCOc2ccccc21 ZINC000923023828 1121514415 /nfs/dbraw/zinc/51/44/15/1121514415.db2.gz BXDDRRCPOAEPHA-QGZVFWFLSA-N 0 1 271.335 3.613 20 0 CHADMN COCc1csc(CNCc2ccc(C)cc2F)c1 ZINC000631173795 1128989303 /nfs/dbraw/zinc/98/93/03/1128989303.db2.gz DHTCQDLFYFIBOD-UHFFFAOYSA-N 0 1 279.380 3.632 20 0 CHADMN CCC[C@H]1C(=O)N(c2ncc(Cl)cc2Cl)N=C1C ZINC000614185702 1121515765 /nfs/dbraw/zinc/51/57/65/1121515765.db2.gz WCKSAVGEJFWJMD-SECBINFHSA-N 0 1 286.162 3.527 20 0 CHADMN COc1ccccc1[C@@H]1CSCCCN1C/C=C/Cl ZINC001175947090 1121516049 /nfs/dbraw/zinc/51/60/49/1121516049.db2.gz PQHMLQYHEYKTJV-PXYYCUNGSA-N 0 1 297.851 3.928 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000246896699 1121517976 /nfs/dbraw/zinc/51/79/76/1121517976.db2.gz VASABZMRFSHEOT-XJKCOSOUSA-N 0 1 297.402 3.886 20 0 CHADMN Cc1nc2c(F)cccc2cc1Nc1ccc2nn[nH]c2c1 ZINC001176001623 1121518393 /nfs/dbraw/zinc/51/83/93/1121518393.db2.gz IXBXEDPLVWPCGX-UHFFFAOYSA-N 0 1 293.305 3.697 20 0 CHADMN Cc1nc2c(F)cccc2cc1Nc1ccc2n[nH]nc2c1 ZINC001176001623 1121518399 /nfs/dbraw/zinc/51/83/99/1121518399.db2.gz IXBXEDPLVWPCGX-UHFFFAOYSA-N 0 1 293.305 3.697 20 0 CHADMN COc1cc(Nc2ccc3nn[nH]c3c2)cc2ccccc21 ZINC001176002119 1121518995 /nfs/dbraw/zinc/51/89/95/1121518995.db2.gz ICLDVNOTDDYNOC-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN COc1cc(Nc2ccc3n[nH]nc3c2)cc2ccccc21 ZINC001176002119 1121519000 /nfs/dbraw/zinc/51/90/00/1121519000.db2.gz ICLDVNOTDDYNOC-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN Cc1ccc(-c2cc(Nc3ccc4nn[nH]c4c3)on2)cc1 ZINC001175999463 1121519033 /nfs/dbraw/zinc/51/90/33/1121519033.db2.gz VBXOPLVCYWOIPM-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Cc1ccc(-c2cc(Nc3ccc4n[nH]nc4c3)on2)cc1 ZINC001175999463 1121519040 /nfs/dbraw/zinc/51/90/40/1121519040.db2.gz VBXOPLVCYWOIPM-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Cc1ccc(Nc2ccc3nn[nH]c3c2)cc1OC(F)F ZINC001176002137 1121519183 /nfs/dbraw/zinc/51/91/83/1121519183.db2.gz IHXOEGXBXJWGPX-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1ccc(Nc2ccc3n[nH]nc3c2)cc1OC(F)F ZINC001176002137 1121519185 /nfs/dbraw/zinc/51/91/85/1121519185.db2.gz IHXOEGXBXJWGPX-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN CC(C)n1ncc2cc(Nc3ccc4nn[nH]c4c3)ccc21 ZINC001176001837 1121519279 /nfs/dbraw/zinc/51/92/79/1121519279.db2.gz CBIRDOPPIBLRPZ-UHFFFAOYSA-N 0 1 292.346 3.632 20 0 CHADMN CC(C)n1ncc2cc(Nc3ccc4n[nH]nc4c3)ccc21 ZINC001176001837 1121519283 /nfs/dbraw/zinc/51/92/83/1121519283.db2.gz CBIRDOPPIBLRPZ-UHFFFAOYSA-N 0 1 292.346 3.632 20 0 CHADMN Clc1cccc2ncc(Nc3ccc4nn[nH]c4c3)cc12 ZINC001176002505 1121519774 /nfs/dbraw/zinc/51/97/74/1121519774.db2.gz XIARDCWIDCQFAO-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1cccc2ncc(Nc3ccc4n[nH]nc4c3)cc12 ZINC001176002505 1121519781 /nfs/dbraw/zinc/51/97/81/1121519781.db2.gz XIARDCWIDCQFAO-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN FC(F)(F)c1cccc(Nc2ccc3nn[nH]c3c2)c1 ZINC001176006082 1121520294 /nfs/dbraw/zinc/52/02/94/1121520294.db2.gz RUQSACLIOBXVAC-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN FC(F)(F)c1cccc(Nc2ccc3n[nH]nc3c2)c1 ZINC001176006082 1121520301 /nfs/dbraw/zinc/52/03/01/1121520301.db2.gz RUQSACLIOBXVAC-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN c1csc(-c2ccc(Nc3ccc4nn[nH]c4c3)cc2)n1 ZINC001176002681 1121520753 /nfs/dbraw/zinc/52/07/53/1121520753.db2.gz QXIJBUXCQRCLPX-UHFFFAOYSA-N 0 1 293.355 3.825 20 0 CHADMN c1csc(-c2ccc(Nc3ccc4n[nH]nc4c3)cc2)n1 ZINC001176002681 1121520759 /nfs/dbraw/zinc/52/07/59/1121520759.db2.gz QXIJBUXCQRCLPX-UHFFFAOYSA-N 0 1 293.355 3.825 20 0 CHADMN CCCc1nc(CN[C@@]2(CO)CCCC(C)(C)C2)cs1 ZINC000625834327 1121521447 /nfs/dbraw/zinc/52/14/47/1121521447.db2.gz LQKHBJKVPLZJMP-INIZCTEOSA-N 0 1 296.480 3.517 20 0 CHADMN c1ccc(-c2cccnc2)c(Nc2ccc3nn[nH]c3c2)c1 ZINC001176005357 1121521914 /nfs/dbraw/zinc/52/19/14/1121521914.db2.gz SADMHXAJAUEJDL-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1ccc(-c2cccnc2)c(Nc2ccc3n[nH]nc3c2)c1 ZINC001176005357 1121521920 /nfs/dbraw/zinc/52/19/20/1121521920.db2.gz SADMHXAJAUEJDL-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN FC(F)Oc1ccccc1Nc1nnc(-c2ccco2)o1 ZINC001176007663 1121523421 /nfs/dbraw/zinc/52/34/21/1121523421.db2.gz KTDYSPZZVHTFLD-UHFFFAOYSA-N 0 1 293.229 3.675 20 0 CHADMN CC[N@@H+](Cc1cc(C(=O)[O-])cs1)C1CCCCC1 ZINC000711378164 1121524392 /nfs/dbraw/zinc/52/43/92/1121524392.db2.gz MRGOAANQYSNFEI-UHFFFAOYSA-N 0 1 267.394 3.601 20 0 CHADMN O=C([O-])c1csc(C[N@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000711386831 1121524576 /nfs/dbraw/zinc/52/45/76/1121524576.db2.gz YVAODNYHDPNLFI-CQSZACIVSA-N 0 1 279.405 3.601 20 0 CHADMN CC[C@@H](NCc1ccc2nccnc2c1)c1nc(C)cs1 ZINC000634960009 1121528000 /nfs/dbraw/zinc/52/80/00/1121528000.db2.gz HXBBPNJDPBTPKU-CYBMUJFWSA-N 0 1 298.415 3.636 20 0 CHADMN CC[C@](C)(NCc1ccncc1F)c1ccc(F)cc1 ZINC000631194830 1128991580 /nfs/dbraw/zinc/99/15/80/1128991580.db2.gz PZGORPBLLZFLDB-INIZCTEOSA-N 0 1 276.330 3.775 20 0 CHADMN O=C([O-])C[N@@H+](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000032128130 1121533648 /nfs/dbraw/zinc/53/36/48/1121533648.db2.gz CVHYOZMJKHDKCR-UHFFFAOYSA-N 0 1 281.783 3.559 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])cs2)CC1 ZINC000711457591 1121536577 /nfs/dbraw/zinc/53/65/77/1121536577.db2.gz OKRSZBUSFZDSAH-GFCCVEGCSA-N 0 1 281.421 3.704 20 0 CHADMN Cc1scc(CNCc2ccnn2CC(C)C)c1C ZINC000631206001 1128992142 /nfs/dbraw/zinc/99/21/42/1128992142.db2.gz ISOCCDNFKOSXHG-UHFFFAOYSA-N 0 1 277.437 3.507 20 0 CHADMN C[C@@H]1C[C@H](NCc2csc(-c3ccsc3)n2)[C@@H](C)O1 ZINC000631220387 1128992257 /nfs/dbraw/zinc/99/22/57/1128992257.db2.gz SFXVXBBOXMINCR-BREBYQMCSA-N 0 1 294.445 3.527 20 0 CHADMN CC(C)c1cnc(CN(C)[C@@H]2CC[C@H](C)C2)s1 ZINC000433052123 1121540236 /nfs/dbraw/zinc/54/02/36/1121540236.db2.gz KYBIPNGLFKKWGW-NWDGAFQWSA-N 0 1 252.427 3.887 20 0 CHADMN O=C(C[N@H+]1CCC[C@@H](c2ccccc2)C1)Nc1ccccc1 ZINC000433060733 1121542572 /nfs/dbraw/zinc/54/25/72/1121542572.db2.gz HLPARSODVPOHRI-QGZVFWFLSA-N 0 1 294.398 3.505 20 0 CHADMN O=C(CN1CCC[C@@H](c2ccccc2)C1)Nc1ccccc1 ZINC000433060733 1121542576 /nfs/dbraw/zinc/54/25/76/1121542576.db2.gz HLPARSODVPOHRI-QGZVFWFLSA-N 0 1 294.398 3.505 20 0 CHADMN CS[C@H]1CCCCN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC000619486152 1128992570 /nfs/dbraw/zinc/99/25/70/1128992570.db2.gz SZCVRMNPTMUXKO-LBPRGKRZSA-N 0 1 288.416 3.662 20 0 CHADMN CC(=O)c1cc(Cl)c(N=C2CCOCC2)c(Cl)c1 ZINC001176148039 1121551050 /nfs/dbraw/zinc/55/10/50/1121551050.db2.gz RTCSWSUUVIXRGC-UHFFFAOYSA-N 0 1 286.158 3.912 20 0 CHADMN CC(C)CCc1noc(CN2CC[C@H](CC(C)C)C2)n1 ZINC000466704180 1121555849 /nfs/dbraw/zinc/55/58/49/1121555849.db2.gz BWLYOUWTRONDQX-CQSZACIVSA-N 0 1 279.428 3.526 20 0 CHADMN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[C@H](C)C1 ZINC000466704983 1121556520 /nfs/dbraw/zinc/55/65/20/1121556520.db2.gz FOYSBXXOEUITIN-QWRGUYRKSA-N 0 1 291.782 3.793 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccc(C(F)F)nc2)s1 ZINC000631227331 1128993455 /nfs/dbraw/zinc/99/34/55/1128993455.db2.gz JZKCSTUNHVORQE-MRVPVSSYSA-N 0 1 283.347 3.635 20 0 CHADMN CCOC1CC(CN2CCc3c(F)cc(F)cc3[C@H]2C)C1 ZINC000509373846 1121558207 /nfs/dbraw/zinc/55/82/07/1121558207.db2.gz RDUHPHJZSJRPJC-LKSINWNRSA-N 0 1 295.373 3.699 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000711619617 1121560431 /nfs/dbraw/zinc/56/04/31/1121560431.db2.gz FSCKMWSGXIIMDW-DIOULYMOSA-N 0 1 293.794 3.730 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccsc2C)s1 ZINC000631229243 1128993646 /nfs/dbraw/zinc/99/36/46/1128993646.db2.gz VUSWSTCXDZWBLC-QMMMGPOBSA-N 0 1 252.408 3.672 20 0 CHADMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](CCC1CCCCCC1)CC2 ZINC000711604304 1121561461 /nfs/dbraw/zinc/56/14/61/1121561461.db2.gz PKRZJTASKFSKFC-WBVHZDCISA-N 0 1 279.424 3.676 20 0 CHADMN Fc1ccc([C@H](NCc2ncc[nH]2)C2CCCCC2)cc1 ZINC000631227371 1128993760 /nfs/dbraw/zinc/99/37/60/1128993760.db2.gz JDBWSQJXWHCERQ-QGZVFWFLSA-N 0 1 287.382 3.960 20 0 CHADMN CC(C)c1cccc(CN2CCC[C@H]2c2ccc(=O)[nH]n2)c1 ZINC000625994201 1121569384 /nfs/dbraw/zinc/56/93/84/1121569384.db2.gz CSCLUBPZSSBBSO-KRWDZBQOSA-N 0 1 297.402 3.643 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNCc2cccc3c2CCOC3)o1 ZINC000631245434 1128994375 /nfs/dbraw/zinc/99/43/75/1128994375.db2.gz OODASULOJBHWDV-UGSOOPFHSA-N 0 1 297.398 3.766 20 0 CHADMN CCS[C@H]1CC[C@H](N(C)Cc2ncoc2C(C)C)C1 ZINC000092798413 1121574889 /nfs/dbraw/zinc/57/48/89/1121574889.db2.gz XHLJQUQFMZWVJE-STQMWFEESA-N 0 1 282.453 3.904 20 0 CHADMN CC(C)[C@@H](NCc1nccn1C1CC1)c1ccccc1 ZINC000711803925 1121577268 /nfs/dbraw/zinc/57/72/68/1121577268.db2.gz WVBLNDQYMQJQTJ-QGZVFWFLSA-N 0 1 269.392 3.705 20 0 CHADMN COc1cccc2c1CN([C@@H]1CCc3ccc(F)cc31)C2 ZINC000626021814 1121580823 /nfs/dbraw/zinc/58/08/23/1121580823.db2.gz RCTUGSHJXRKXBC-QGZVFWFLSA-N 0 1 283.346 3.837 20 0 CHADMN CC(C)C[C@H]1CCN(CC(=O)Nc2cccc(Cl)c2)C1 ZINC000466732212 1121586061 /nfs/dbraw/zinc/58/60/61/1121586061.db2.gz ZCXNWMMQCDKKKZ-CYBMUJFWSA-N 0 1 294.826 3.647 20 0 CHADMN C[C@@H](N[C@H](CO)CC(F)F)c1cc(Cl)ccc1Cl ZINC000429466698 1121592778 /nfs/dbraw/zinc/59/27/78/1121592778.db2.gz NAWZSRFQSYFGAM-APPZFPTMSA-N 0 1 298.160 3.660 20 0 CHADMN FC(F)(F)c1cc(CN[C@@H]2C[C@H]2C(F)(F)F)cs1 ZINC000631262507 1128995697 /nfs/dbraw/zinc/99/56/97/1128995697.db2.gz RLEWODXQAJLHFU-RNFRBKRXSA-N 0 1 289.244 3.807 20 0 CHADMN Fc1ccc2c(c1)CCN(CCc1ccc(F)c(F)c1)C2 ZINC000509437791 1121593214 /nfs/dbraw/zinc/59/32/14/1121593214.db2.gz QCNKUALGNDFYSU-UHFFFAOYSA-N 0 1 291.316 3.705 20 0 CHADMN O=C(Nc1cccc2ccncc21)c1ccc(Cl)cc1O ZINC000094820501 1128995784 /nfs/dbraw/zinc/99/57/84/1128995784.db2.gz NBCAUOUMALMIKF-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN CC(C)COC[C@@H](NC[C@@H]1CCC(C)(C)O1)c1ccco1 ZINC000411509465 1121598975 /nfs/dbraw/zinc/59/89/75/1121598975.db2.gz DBGRWYAWMNCEIZ-LSDHHAIUSA-N 0 1 295.423 3.541 20 0 CHADMN Cc1cnc(C(C)(C)N[C@H]2C[C@H]2c2cccc(F)c2)s1 ZINC000411516514 1121600313 /nfs/dbraw/zinc/60/03/13/1121600313.db2.gz CKWUDKWPJQUIIE-KBPBESRZSA-N 0 1 290.407 3.971 20 0 CHADMN Cc1nc([C@@H](C)NCC2(C(F)(F)F)CC2)c(C)s1 ZINC000671768093 1121601931 /nfs/dbraw/zinc/60/19/31/1121601931.db2.gz YXPKWTASCOPRQG-SSDOTTSWSA-N 0 1 278.343 3.753 20 0 CHADMN CO[C@H](Cn1c(C)nc2c1CCCC2)C1CCCCC1 ZINC000664048534 1121607311 /nfs/dbraw/zinc/60/73/11/1121607311.db2.gz LGMZKKVWSDAEBA-QGZVFWFLSA-N 0 1 276.424 3.666 20 0 CHADMN CC(C)[C@@H]1C[C@H](N[C@@H](CF)c2ccc(F)cc2)CCO1 ZINC000631283721 1128996743 /nfs/dbraw/zinc/99/67/43/1128996743.db2.gz MASNZLGFHBPSER-PMPSAXMXSA-N 0 1 283.362 3.630 20 0 CHADMN Cc1cscc1CNCc1scnc1C1CC1 ZINC000487172892 1121617442 /nfs/dbraw/zinc/61/74/42/1121617442.db2.gz PHQQHTJHWOWPCW-UHFFFAOYSA-N 0 1 264.419 3.680 20 0 CHADMN c1nc(C2CC2)c(CNC2(c3ccccc3)CC2)s1 ZINC000487271874 1121618036 /nfs/dbraw/zinc/61/80/36/1121618036.db2.gz WAIUPGYLMVSJSM-UHFFFAOYSA-N 0 1 270.401 3.799 20 0 CHADMN CC[C@@H](C[N@H+]1CCC[C@H]1c1ccc(F)cc1F)OC ZINC000419283405 1121618609 /nfs/dbraw/zinc/61/86/09/1121618609.db2.gz NARGEDFWLFBVQQ-WFASDCNBSA-N 0 1 269.335 3.527 20 0 CHADMN CCn1cnc2c1CCN(CC[C@H]1C[C@H](C)C[C@H](C)C1)C2 ZINC001176432052 1121620182 /nfs/dbraw/zinc/62/01/82/1121620182.db2.gz LZAYXKCFTJLIHL-ZSHCYNCHSA-N 0 1 289.467 3.724 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)C[C@@H]3C=CCC3)c2C1 ZINC000158283226 1121622985 /nfs/dbraw/zinc/62/29/85/1121622985.db2.gz TZSXVCCKWPXCHB-OAHLLOKOSA-N 0 1 298.430 3.953 20 0 CHADMN CC(C)C1CCC(C[N@@H+](CC(=O)[O-])C2CCCC2)CC1 ZINC000383627572 1121639389 /nfs/dbraw/zinc/63/93/89/1121639389.db2.gz IAQYNGKUMVIEDN-UHFFFAOYSA-N 0 1 281.440 3.778 20 0 CHADMN CCCn1c(C)nnc1CN(C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419311881 1121642846 /nfs/dbraw/zinc/64/28/46/1121642846.db2.gz CDNDXRNCSNLNEP-CABCVRRESA-N 0 1 292.471 3.643 20 0 CHADMN CCN(Cc1c(Cl)cccc1Cl)C[C@H]1CCOC1 ZINC000052071781 1121646149 /nfs/dbraw/zinc/64/61/49/1121646149.db2.gz VOWLTIOCBGBWGF-LLVKDONJSA-N 0 1 288.218 3.852 20 0 CHADMN Cc1cc[nH+]c(C)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176581473 1121647479 /nfs/dbraw/zinc/64/74/79/1121647479.db2.gz OKHGIWUGUPHLKM-UHFFFAOYSA-N 0 1 282.343 3.558 20 0 CHADMN CCS[C@@H](C)c1noc(CNC(C(C)C)C(C)C)n1 ZINC000611434108 1121647887 /nfs/dbraw/zinc/64/78/87/1121647887.db2.gz NQEHEWWLGMLETJ-NSHDSACASA-N 0 1 285.457 3.654 20 0 CHADMN C[C@H](NCc1ccc(-c2cc[nH]n2)o1)c1ccccc1 ZINC000433331287 1121649496 /nfs/dbraw/zinc/64/94/96/1121649496.db2.gz YYGGMJIMIYRRRU-LBPRGKRZSA-N 0 1 267.332 3.521 20 0 CHADMN Cc1ncn(-c2ccc(C(F)(F)F)cc2OC(C)C)c1N ZINC001176596783 1121651509 /nfs/dbraw/zinc/65/15/09/1121651509.db2.gz CSQGYETZSGGVAQ-UHFFFAOYSA-N 0 1 299.296 3.569 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419328832 1121658896 /nfs/dbraw/zinc/65/88/96/1121658896.db2.gz AKSSTCWZGQEBSH-YIYPIFLZSA-N 0 1 285.391 3.774 20 0 CHADMN Cc1ccc2nc(SCc3cnccc3C)[nH]c2c1 ZINC000433377482 1121659218 /nfs/dbraw/zinc/65/92/18/1121659218.db2.gz WNSHRRMEKTUCCT-UHFFFAOYSA-N 0 1 269.373 3.867 20 0 CHADMN Fc1cc(F)c(CNCC2(C(F)(F)F)CCC2)cc1F ZINC000513021759 1121663730 /nfs/dbraw/zinc/66/37/30/1121663730.db2.gz JGYXZRRENCSZOF-UHFFFAOYSA-N 0 1 297.242 3.926 20 0 CHADMN CC(C)Oc1ccc(Cl)cc1Nc1ccncc1 ZINC001176644033 1121667373 /nfs/dbraw/zinc/66/73/73/1121667373.db2.gz OSTCGABVVMOZKM-UHFFFAOYSA-N 0 1 262.740 3.688 20 0 CHADMN CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2cccs2)cn1 ZINC000162716029 1121668558 /nfs/dbraw/zinc/66/85/58/1121668558.db2.gz UYYBTDBPTOEODJ-CQSZACIVSA-N 0 1 287.432 3.546 20 0 CHADMN c1c[nH]c([C@H]2CCCN2Cc2scnc2C2CC2)c1 ZINC000494427164 1121672902 /nfs/dbraw/zinc/67/29/02/1121672902.db2.gz DZAPAFFUOSOJNR-CYBMUJFWSA-N 0 1 273.405 3.686 20 0 CHADMN C[NH+](C)Cc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176671633 1121673193 /nfs/dbraw/zinc/67/31/93/1121673193.db2.gz KRULTHQMQNIKLW-UHFFFAOYSA-N 0 1 296.292 3.615 20 0 CHADMN c1nc(C2CC2)c(CN2CC[C@@H]2c2ccccc2)s1 ZINC000494418898 1121673836 /nfs/dbraw/zinc/67/38/36/1121673836.db2.gz PMCDRVOLJQSSSA-CQSZACIVSA-N 0 1 270.401 3.968 20 0 CHADMN Cc1ncoc1CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000894158145 1121677494 /nfs/dbraw/zinc/67/74/94/1121677494.db2.gz OUNZLEMBHHJJIG-OAHLLOKOSA-N 0 1 262.328 3.609 20 0 CHADMN CCc1onc(C)c1CN[C@@H]1CCCc2ccc(F)cc21 ZINC000894161876 1121678027 /nfs/dbraw/zinc/67/80/27/1121678027.db2.gz MEXLPMVBAYKYNQ-MRXNPFEDSA-N 0 1 288.366 3.852 20 0 CHADMN CC1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000041362379 1121679698 /nfs/dbraw/zinc/67/96/98/1121679698.db2.gz IBESBHJIVYKEKR-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN CC(C)N(Cc1ccc(F)cc1)Cc1ccccn1 ZINC000052218297 1121681076 /nfs/dbraw/zinc/68/10/76/1121681076.db2.gz DUMFOWARHXGBFW-UHFFFAOYSA-N 0 1 258.340 3.631 20 0 CHADMN Cc1cc(CN(C)Cc2ccco2)ccc1Br ZINC000500954458 1121689420 /nfs/dbraw/zinc/68/94/20/1121689420.db2.gz MISHZWAFMFYEIN-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN Clc1cccc2c1CN(CC1CCSCC1)C2 ZINC000877529354 1121693527 /nfs/dbraw/zinc/69/35/27/1121693527.db2.gz AKSUKXSEIYYXSY-UHFFFAOYSA-N 0 1 267.825 3.799 20 0 CHADMN CCCCCCc1ccc(NC(=O)Cc2cnc[nH]2)cc1 ZINC001176831850 1121697074 /nfs/dbraw/zinc/69/70/74/1121697074.db2.gz AQVOPUQVVDZJJC-UHFFFAOYSA-N 0 1 285.391 3.714 20 0 CHADMN Cc1nn(C)c(Cl)c1CN(C1CC1)C1CCC(C)CC1 ZINC000727221600 1121708083 /nfs/dbraw/zinc/70/80/83/1121708083.db2.gz DATYNUFODUDVCS-UHFFFAOYSA-N 0 1 295.858 3.925 20 0 CHADMN Cc1nnc(CN[C@H]2C[C@H](c3ccc(Cl)cc3)C2)s1 ZINC000894184738 1121727097 /nfs/dbraw/zinc/72/70/97/1121727097.db2.gz FHNVCWOXXHBNBZ-AULYBMBSSA-N 0 1 293.823 3.536 20 0 CHADMN COc1cccnc1CNC/C=C/c1c(C)cc(C)cc1C ZINC001206302062 1121727689 /nfs/dbraw/zinc/72/76/89/1121727689.db2.gz ZMMRCZKEXWEWNT-FNORWQNLSA-N 0 1 296.414 3.818 20 0 CHADMN CC(C)(CC1CCCCCC1)NC(=O)CCc1cnc[nH]1 ZINC000527003507 1121727995 /nfs/dbraw/zinc/72/79/95/1121727995.db2.gz BSASCNGHEAOLEF-UHFFFAOYSA-N 0 1 291.439 3.598 20 0 CHADMN Cc1ccccc1CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000430104225 1121730723 /nfs/dbraw/zinc/73/07/23/1121730723.db2.gz LREZIUIWOZMZQN-KRWDZBQOSA-N 0 1 266.388 3.973 20 0 CHADMN Cc1noc(C)c1CNCc1cc2c(cccc2O)s1 ZINC000894201998 1121733953 /nfs/dbraw/zinc/73/39/53/1121733953.db2.gz ASKGTHUFMDPIQZ-UHFFFAOYSA-N 0 1 288.372 3.502 20 0 CHADMN CCn1cnc(Cl)c1CNCc1c(C)cc(C)cc1C ZINC001177529642 1121735007 /nfs/dbraw/zinc/73/50/07/1121735007.db2.gz RUQQFPRZTYQGLS-UHFFFAOYSA-N 0 1 291.826 3.771 20 0 CHADMN CN1Cc2ccccc2[C@@H](Nc2nc3ccccc3s2)C1 ZINC000535263864 1121745339 /nfs/dbraw/zinc/74/53/39/1121745339.db2.gz CBKPPWSMZMMRBT-HNNXBMFYSA-N 0 1 295.411 3.895 20 0 CHADMN Clc1cscc1CN1CC[C@H]2CSC[C@@H]2C1 ZINC000877740965 1121746991 /nfs/dbraw/zinc/74/69/91/1121746991.db2.gz XNKOYZBNBFYMEF-UWVGGRQHSA-N 0 1 273.854 3.586 20 0 CHADMN C[C@@H](NCc1ccc2nccnc2c1)c1ccc(F)cc1F ZINC001177962894 1121756476 /nfs/dbraw/zinc/75/64/76/1121756476.db2.gz VKEBBKRIDMRJKN-LLVKDONJSA-N 0 1 299.324 3.759 20 0 CHADMN COc1cc(C)ccc1CNCc1cc(F)ccc1C ZINC001178010409 1121761944 /nfs/dbraw/zinc/76/19/44/1121761944.db2.gz WCHOXXBVRJZLLR-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN Cc1ccccc1[C@@H](CO)NCc1cc2cc(F)ccc2o1 ZINC001177972507 1121762553 /nfs/dbraw/zinc/76/25/53/1121762553.db2.gz NSEQJGSYCVPCFA-QGZVFWFLSA-N 0 1 299.345 3.704 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)N(Cc2cscn2)C1 ZINC000285612755 1121763416 /nfs/dbraw/zinc/76/34/16/1121763416.db2.gz JXLYTUQTFFKXMH-IUODEOHRSA-N 0 1 258.390 3.726 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2CCC[C@@H]1C)c1ncc[nH]1 ZINC000286012912 1121765071 /nfs/dbraw/zinc/76/50/71/1121765071.db2.gz IEKQNKIAPWOTGP-HEHGZKQESA-N 0 1 269.392 3.774 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2CCC[C@H]1C)c1ncc[nH]1 ZINC000286012908 1121765540 /nfs/dbraw/zinc/76/55/40/1121765540.db2.gz IEKQNKIAPWOTGP-DVOMOZLQSA-N 0 1 269.392 3.774 20 0 CHADMN Cc1ccccc1[C@H](N[C@H](C)c1ncc[nH]1)C(C)C ZINC000286376201 1121768936 /nfs/dbraw/zinc/76/89/36/1121768936.db2.gz ZVYJUCSHCBYKPP-UKRRQHHQSA-N 0 1 257.381 3.766 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@@H]1CCc2c1cccc2C ZINC000168168813 1121769611 /nfs/dbraw/zinc/76/96/11/1121769611.db2.gz BCBSJHQWOZCQQV-BDJLRTHQSA-N 0 1 270.376 3.938 20 0 CHADMN CC(C)c1ccc(O[C@H](C)CN[C@@H](C)c2ncc[nH]2)cc1 ZINC000287201994 1121770712 /nfs/dbraw/zinc/77/07/12/1121770712.db2.gz WJPZMJIYHKTOMK-KGLIPLIRSA-N 0 1 287.407 3.651 20 0 CHADMN CC(C)c1cc(CN[C@@H]2CCc3ccccc32)on1 ZINC000169225349 1121773870 /nfs/dbraw/zinc/77/38/70/1121773870.db2.gz VYFZHZRKJQYWSZ-OAHLLOKOSA-N 0 1 256.349 3.575 20 0 CHADMN CC[C@@H](NCc1ccc(OC)o1)c1ccc(C)c(F)c1 ZINC001178336844 1121779067 /nfs/dbraw/zinc/77/90/67/1121779067.db2.gz SFLVBKHOMDEORP-OAHLLOKOSA-N 0 1 277.339 3.977 20 0 CHADMN CCC[C@H](NCc1cnc(C)s1)c1cc(C)ccn1 ZINC000631577178 1129009196 /nfs/dbraw/zinc/00/91/96/1129009196.db2.gz HJTSLHAEVINGDV-AWEZNQCLSA-N 0 1 275.421 3.786 20 0 CHADMN Cc1cc(Cl)nc(CNC/C=C/c2cccc(F)c2)c1 ZINC001178550178 1121796539 /nfs/dbraw/zinc/79/65/39/1121796539.db2.gz YEANYKSKXHDGMS-HWKANZROSA-N 0 1 290.769 3.986 20 0 CHADMN CN(Cc1cccnc1)Cc1ccccc1C(F)(F)F ZINC000071015815 1121807082 /nfs/dbraw/zinc/80/70/82/1121807082.db2.gz LQSRHKQHXJQANO-UHFFFAOYSA-N 0 1 280.293 3.732 20 0 CHADMN Fc1ccc(CNCc2cccc(C(F)(F)F)n2)cc1 ZINC001178758840 1121814192 /nfs/dbraw/zinc/81/41/92/1121814192.db2.gz KVJPKOUVIAPHTP-UHFFFAOYSA-N 0 1 284.256 3.529 20 0 CHADMN OC[C@H](CC1CCC1)NCc1c(Cl)cccc1Cl ZINC001178778641 1121818979 /nfs/dbraw/zinc/81/89/79/1121818979.db2.gz SCQGZZVGUJJYNB-NSHDSACASA-N 0 1 288.218 3.634 20 0 CHADMN Fc1cccc(/C=C/CNCc2cc(F)cnc2Cl)c1 ZINC001178827013 1121822462 /nfs/dbraw/zinc/82/24/62/1121822462.db2.gz KSHIDLSGVKZTEJ-DUXPYHPUSA-N 0 1 294.732 3.816 20 0 CHADMN Cc1ccc2c(c1C)OC[C@@H]2N[C@@H]1CCCc2ncccc21 ZINC000631593467 1129011793 /nfs/dbraw/zinc/01/17/93/1129011793.db2.gz IIJAIFXFBQYSTN-MSOLQXFVSA-N 0 1 294.398 3.799 20 0 CHADMN C[C@H](NCc1cnc(Cl)c(F)c1)c1ccccc1 ZINC001168765187 1121829383 /nfs/dbraw/zinc/82/93/83/1121829383.db2.gz HPLARJXZNFSIRD-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2ncccc21)c1c(C)noc1C ZINC000631603893 1129012618 /nfs/dbraw/zinc/01/26/18/1129012618.db2.gz WOBKDLQNSRDRTI-GDBMZVCRSA-N 0 1 285.391 3.805 20 0 CHADMN Cn1c(CN[C@@H]2C[C@]2(F)c2ccccc2)cc2ccccc21 ZINC001178998204 1121839142 /nfs/dbraw/zinc/83/91/42/1121839142.db2.gz GSTYKVPWGNKFQR-MOPGFXCFSA-N 0 1 294.373 3.905 20 0 CHADMN Clc1cccc(C2(NCc3cnsc3)CCC2)c1 ZINC001179011826 1121841296 /nfs/dbraw/zinc/84/12/96/1121841296.db2.gz WKKXPRDPDDAHJO-UHFFFAOYSA-N 0 1 278.808 3.966 20 0 CHADMN Cc1ccc(CNCc2ccc(F)c3ccccc23)nc1 ZINC001179028337 1121844725 /nfs/dbraw/zinc/84/47/25/1121844725.db2.gz OUCJJDJTUOQFHV-UHFFFAOYSA-N 0 1 280.346 3.972 20 0 CHADMN COC(=O)c1cc(CN[C@H](C)c2ccsc2)c(C)s1 ZINC000619783639 1129013534 /nfs/dbraw/zinc/01/35/34/1129013534.db2.gz VZNUGCOIUFXZMI-SECBINFHSA-N 0 1 295.429 3.755 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SC[Si](C)(C)C)n2)o1 ZINC000731158129 1121853328 /nfs/dbraw/zinc/85/33/28/1121853328.db2.gz RTWXTBQPNCONIM-FPLPWBNLSA-N 0 1 293.468 3.846 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2CCC[C@@H]2C)n[nH]1 ZINC001179152899 1121856124 /nfs/dbraw/zinc/85/61/24/1121856124.db2.gz ZFCKSWFDZWFTHB-NOLJZWGESA-N 0 1 289.423 3.598 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[C@@H]2C)n[nH]1 ZINC001179160299 1121856564 /nfs/dbraw/zinc/85/65/64/1121856564.db2.gz MIYRPIVKHJPQGK-BJJXKVORSA-N 0 1 289.423 3.598 20 0 CHADMN CCn1cnc(CNCc2ccc(-c3ccccc3)s2)c1 ZINC001179232846 1121862890 /nfs/dbraw/zinc/86/28/90/1121862890.db2.gz VTSNBTDSJWZETO-UHFFFAOYSA-N 0 1 297.427 3.921 20 0 CHADMN c1snnc1CN[C@H]1CCCC[C@H](c2ccccc2)C1 ZINC001179277403 1121870560 /nfs/dbraw/zinc/87/05/60/1121870560.db2.gz FBQBWZKTFGGICI-GJZGRUSLSA-N 0 1 287.432 3.744 20 0 CHADMN C[C@@H](N(C)C(=O)c1cc(-c2ccccc2)[nH]n1)C(C)(C)C ZINC000030422700 1121874857 /nfs/dbraw/zinc/87/48/57/1121874857.db2.gz DAGIGNKMAREANU-GFCCVEGCSA-N 0 1 285.391 3.583 20 0 CHADMN COc1cc(CN[C@H](CC2CC2)c2ccccc2)sn1 ZINC000660195547 1129015342 /nfs/dbraw/zinc/01/53/42/1129015342.db2.gz WECRBTJBGURJPS-OAHLLOKOSA-N 0 1 288.416 3.783 20 0 CHADMN C[C@H](NCc1n[nH]c2ccccc12)c1cc2cnccc2o1 ZINC001179430293 1121876690 /nfs/dbraw/zinc/87/66/90/1121876690.db2.gz VXNVOSMLMQEDIK-NSHDSACASA-N 0 1 292.342 3.555 20 0 CHADMN C[C@H](NCc1[nH]nc2ccccc21)c1cc2cnccc2o1 ZINC001179430293 1121876696 /nfs/dbraw/zinc/87/66/96/1121876696.db2.gz VXNVOSMLMQEDIK-NSHDSACASA-N 0 1 292.342 3.555 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000345395572 1121880183 /nfs/dbraw/zinc/88/01/83/1121880183.db2.gz SORZFYFCGJAGOA-BDAKNGLRSA-N 0 1 293.317 3.875 20 0 CHADMN Cc1cccc(C)c1CNCc1cc(O)ccc1Cl ZINC001179458477 1121880911 /nfs/dbraw/zinc/88/09/11/1121880911.db2.gz URDKIPCCLIEQSN-UHFFFAOYSA-N 0 1 275.779 3.952 20 0 CHADMN Cc1ccnc(CNCc2cc3ccccc3s2)c1 ZINC001179473170 1121881099 /nfs/dbraw/zinc/88/10/99/1121881099.db2.gz QAECDQQRCPVXIJ-UHFFFAOYSA-N 0 1 268.385 3.895 20 0 CHADMN O=c1[nH]c2cc(CNCc3sccc3Cl)ccc2o1 ZINC001179524963 1121882718 /nfs/dbraw/zinc/88/27/18/1121882718.db2.gz FMJHOLANWQPMIA-UHFFFAOYSA-N 0 1 294.763 3.538 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1ccc(C)cc1F ZINC000731893503 1121888648 /nfs/dbraw/zinc/88/86/48/1121888648.db2.gz NKPUVIRWZBJXHN-UHFFFAOYSA-N 0 1 280.387 3.585 20 0 CHADMN Cc1ccc(CNCc2cccc(Cl)c2N)cc1F ZINC001179659480 1121896134 /nfs/dbraw/zinc/89/61/34/1121896134.db2.gz YSNSSDMMLNBQCD-UHFFFAOYSA-N 0 1 278.758 3.660 20 0 CHADMN COc1cc2c(cc1CNC(C)(C)/C=C\Cl)O[C@H](C)C2 ZINC001179627132 1121897527 /nfs/dbraw/zinc/89/75/27/1121897527.db2.gz UROCJJNRESBCOD-ISALQUGTSA-N 0 1 295.810 3.639 20 0 CHADMN Clc1cc(Cl)cc(CCN2CC[C@H]3C[C@H]32)c1 ZINC000773824346 1121903090 /nfs/dbraw/zinc/90/30/90/1121903090.db2.gz UQJWYZPQBGHKSP-GXFFZTMASA-N 0 1 256.176 3.630 20 0 CHADMN CCOc1cccc(F)c1CNC[C@@H]1CCCC(C)(C)O1 ZINC001179740644 1121906308 /nfs/dbraw/zinc/90/63/08/1121906308.db2.gz NMXCLSGRVWKIEY-ZDUSSCGKSA-N 0 1 295.398 3.662 20 0 CHADMN CN1CCC[C@H](Oc2c(Cl)cccc2C(F)(F)F)C1 ZINC001230825497 1121909431 /nfs/dbraw/zinc/90/94/31/1121909431.db2.gz FFTQDQAAJLGYLW-VIFPVBQESA-N 0 1 293.716 3.832 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](NCc1cnn(C)c1)C(C)C ZINC000069878240 1121916068 /nfs/dbraw/zinc/91/60/68/1121916068.db2.gz MNVMRONQQJMSAW-KRWDZBQOSA-N 0 1 297.402 3.962 20 0 CHADMN CCC1CCN(Cc2nc3c(s2)C[C@H](C)CC3)CC1 ZINC001179893044 1121919709 /nfs/dbraw/zinc/91/97/09/1121919709.db2.gz ZHHOTOOYBXQNIR-GFCCVEGCSA-N 0 1 278.465 3.890 20 0 CHADMN CC(C)(F)CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000631657487 1129018524 /nfs/dbraw/zinc/01/85/24/1129018524.db2.gz DGOHLBBUKPZHOW-ZDUSSCGKSA-N 0 1 263.356 3.771 20 0 CHADMN CCC(CC)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732547549 1121925698 /nfs/dbraw/zinc/92/56/98/1121925698.db2.gz URTBGBIRXONMQI-SECBINFHSA-N 0 1 293.798 3.830 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2ccc(F)cn2)cc1 ZINC000345918282 1121926564 /nfs/dbraw/zinc/92/65/64/1121926564.db2.gz ZVUNCVPBYSSAKO-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cn1ccc([C@@H](N[C@H]2CCCC23CC3)c2ccc(F)cc2)n1 ZINC000631663770 1129019421 /nfs/dbraw/zinc/01/94/21/1129019421.db2.gz KILQQEPIBNMBSW-IRXDYDNUSA-N 0 1 299.393 3.571 20 0 CHADMN Cc1nc(C(C)C)sc1[C@@H](C)NCC(C)(C)F ZINC000631660027 1129019525 /nfs/dbraw/zinc/01/95/25/1129019525.db2.gz UCBFRAFFRJCVEX-SECBINFHSA-N 0 1 258.406 3.974 20 0 CHADMN Fc1ccc([C@@H](N[C@H]2CCCC23CC3)c2ncc[nH]2)cc1 ZINC000631663019 1129019577 /nfs/dbraw/zinc/01/95/77/1129019577.db2.gz HKTYPORYFMUDEY-LSDHHAIUSA-N 0 1 285.366 3.561 20 0 CHADMN Cc1cc(F)ncc1CN1CCSC2(CCCCC2)C1 ZINC001180058848 1121944522 /nfs/dbraw/zinc/94/45/22/1121944522.db2.gz UMNFBUDBPSVERQ-UHFFFAOYSA-N 0 1 294.439 3.781 20 0 CHADMN CCc1cnc(CN(C)CCc2ccc(C)c(C)c2)s1 ZINC001180080478 1121948069 /nfs/dbraw/zinc/94/80/69/1121948069.db2.gz BVXDNSMCJPESSH-UHFFFAOYSA-N 0 1 288.460 3.997 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1nnn(-c2ccccc2)c1C1CC1 ZINC001180108524 1121953356 /nfs/dbraw/zinc/95/33/56/1121953356.db2.gz SDDQTGYYZQTZAE-KBPBESRZSA-N 0 1 296.418 3.518 20 0 CHADMN Cc1coc(C[N@@H+]2CCN(c3ccc(C)c(C)c3)C[C@H]2C)c1 ZINC001180169348 1121961127 /nfs/dbraw/zinc/96/11/27/1121961127.db2.gz GIUSDWMAIUOFLD-QGZVFWFLSA-N 0 1 298.430 3.916 20 0 CHADMN Cc1coc(CN2CCN(c3ccc(C)c(C)c3)C[C@H]2C)c1 ZINC001180169348 1121961132 /nfs/dbraw/zinc/96/11/32/1121961132.db2.gz GIUSDWMAIUOFLD-QGZVFWFLSA-N 0 1 298.430 3.916 20 0 CHADMN C[C@@H]1CCC[C@H](C)N(Cc2cnc(Cl)s2)C1 ZINC000079325571 1129021438 /nfs/dbraw/zinc/02/14/38/1129021438.db2.gz YSLYPVOTYIHTQM-ZJUUUORDSA-N 0 1 258.818 3.807 20 0 CHADMN CCN(CCc1cccs1)Cc1ncc(C(C)C)o1 ZINC000733308256 1121973716 /nfs/dbraw/zinc/97/37/16/1121973716.db2.gz JCPBLSGPYONJIY-UHFFFAOYSA-N 0 1 278.421 3.924 20 0 CHADMN C[C@]1(F)CCN(Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000501389130 1121973832 /nfs/dbraw/zinc/97/38/32/1121973832.db2.gz ATRNEPXOUCRREV-ZDUSSCGKSA-N 0 1 291.288 3.562 20 0 CHADMN C[C@@]1(F)CCN(Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000501389122 1121974695 /nfs/dbraw/zinc/97/46/95/1121974695.db2.gz ATRNEPXOUCRREV-CYBMUJFWSA-N 0 1 291.288 3.562 20 0 CHADMN Cc1occc1CN[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000414434900 1121976314 /nfs/dbraw/zinc/97/63/14/1121976314.db2.gz AENSTORVGSKGOQ-INIZCTEOSA-N 0 1 292.810 3.634 20 0 CHADMN Cc1ccc(C[NH2+]Cc2ccc([O-])c(Cl)c2)c(C)c1 ZINC000733324755 1121976510 /nfs/dbraw/zinc/97/65/10/1121976510.db2.gz AXHVOSMJPSFVNJ-UHFFFAOYSA-N 0 1 275.779 3.952 20 0 CHADMN CO[C@H](CNCc1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC000733329488 1121977428 /nfs/dbraw/zinc/97/74/28/1121977428.db2.gz UHUFIJMDLUSLBQ-CYBMUJFWSA-N 0 1 289.341 3.651 20 0 CHADMN Cc1ccccc1CNCc1nc(-c2ccncc2)cs1 ZINC000733332125 1121978366 /nfs/dbraw/zinc/97/83/66/1121978366.db2.gz ZTIIHNPREJCNNK-UHFFFAOYSA-N 0 1 295.411 3.803 20 0 CHADMN CC(C)C[C@H]1CCN(Cc2cnc(Cl)s2)C1 ZINC000079327522 1129022491 /nfs/dbraw/zinc/02/24/91/1129022491.db2.gz GYDFDSRDYXNHFA-SNVBAGLBSA-N 0 1 258.818 3.665 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2ccc3c(c2)COC3)s1 ZINC000631706628 1129022665 /nfs/dbraw/zinc/02/26/65/1129022665.db2.gz JSMFEDJAZXPISG-GHMZBOCLSA-N 0 1 288.416 3.894 20 0 CHADMN Cc1cccc(CN(C)Cc2cccn2C(F)F)c1 ZINC001180386448 1121983665 /nfs/dbraw/zinc/98/36/65/1121983665.db2.gz PRRILTVGLZJABQ-UHFFFAOYSA-N 0 1 264.319 3.824 20 0 CHADMN Cc1ccccc1OCCN(C)Cc1cccn1C1CC1 ZINC001180447248 1121986401 /nfs/dbraw/zinc/98/64/01/1121986401.db2.gz YCBKCOBRJCSZDX-UHFFFAOYSA-N 0 1 284.403 3.642 20 0 CHADMN C[C@@H]1c2cccn2CCN1CCc1ccc(Cl)cc1 ZINC001180422836 1121989193 /nfs/dbraw/zinc/98/91/93/1121989193.db2.gz OULWGAZPWZAUHX-CYBMUJFWSA-N 0 1 274.795 3.761 20 0 CHADMN C[C@H](O)C[C@@H]1CCC[N@H+]1[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000153184227 1129023953 /nfs/dbraw/zinc/02/39/53/1129023953.db2.gz MGYQJIIIHXNPHW-GVXVVHGQSA-N 0 1 285.790 3.775 20 0 CHADMN CCOc1ccc(CNCc2ccoc2C)cc1Cl ZINC000414452982 1122004102 /nfs/dbraw/zinc/00/41/02/1122004102.db2.gz QEDLOMGLYIMGQK-UHFFFAOYSA-N 0 1 279.767 3.930 20 0 CHADMN C[C@@H]1CO[C@@H](C)CN1Cc1ccc(C(C)(C)C)cc1 ZINC000501759585 1122005940 /nfs/dbraw/zinc/00/59/40/1122005940.db2.gz YXXXHXBPZCLDNP-KGLIPLIRSA-N 0 1 261.409 3.593 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1cccc(F)c1F)CC2 ZINC000631725461 1129024627 /nfs/dbraw/zinc/02/46/27/1129024627.db2.gz HATTVFZYDNAVND-MRXNPFEDSA-N 0 1 289.325 3.751 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000501787376 1122007202 /nfs/dbraw/zinc/00/72/02/1122007202.db2.gz WPGCQHUOMYRVHD-BMFZPTHFSA-N 0 1 288.435 3.608 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000501784273 1122008023 /nfs/dbraw/zinc/00/80/23/1122008023.db2.gz FAUPHKVMCWOLPM-AAEUAGOBSA-N 0 1 294.826 3.565 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1CC[C@H](C)[C@@H](C)C1 ZINC000501784273 1122008031 /nfs/dbraw/zinc/00/80/31/1122008031.db2.gz FAUPHKVMCWOLPM-AAEUAGOBSA-N 0 1 294.826 3.565 20 0 CHADMN Brc1ccsc1CN(CC1CC1)C1CC1 ZINC000070939970 1122010653 /nfs/dbraw/zinc/01/06/53/1122010653.db2.gz SIFVYZDMTVTNSQ-UHFFFAOYSA-N 0 1 286.238 3.885 20 0 CHADMN CC[C@H]1CCCC[C@@H]1c1noc(C23CCCN2CCC3)n1 ZINC000420504186 1122019314 /nfs/dbraw/zinc/01/93/14/1122019314.db2.gz OAYWFSQXGMJKLO-KBPBESRZSA-N 0 1 289.423 3.838 20 0 CHADMN Cc1[nH]c2ccccc2c1CN1Cc2ccccc2C1 ZINC001204286309 1122022223 /nfs/dbraw/zinc/02/22/23/1122022223.db2.gz FQOIVISHJZPDQS-UHFFFAOYSA-N 0 1 262.356 3.992 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cccc(C3CC3)c2)nn1 ZINC000414464242 1122028450 /nfs/dbraw/zinc/02/84/50/1122028450.db2.gz YDKCBDHZIWGLBA-CYBMUJFWSA-N 0 1 267.376 3.513 20 0 CHADMN O=C(c1cccc(F)c1O)N1CCC[C@H](C2CCCC2)C1 ZINC001181064110 1122032196 /nfs/dbraw/zinc/03/21/96/1122032196.db2.gz UCAOIENNPJFSCA-ZDUSSCGKSA-N 0 1 291.366 3.574 20 0 CHADMN Cc1ncsc1CN1CCC[C@H](CC(F)(F)F)C1 ZINC000420941956 1122043579 /nfs/dbraw/zinc/04/35/79/1122043579.db2.gz GMENPELHPWCQGN-SNVBAGLBSA-N 0 1 278.343 3.616 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CC[C@@H](C2CCCC2)C1 ZINC000420961095 1122051184 /nfs/dbraw/zinc/05/11/84/1122051184.db2.gz IBFNHTWVOFJYSY-SMDDNHRTSA-N 0 1 275.396 3.520 20 0 CHADMN Cc1ccc(CN[C@H](Cn2cccn2)c2ccccc2)cc1 ZINC000607366661 1122056760 /nfs/dbraw/zinc/05/67/60/1122056760.db2.gz WMDRHANNBBURNV-LJQANCHMSA-N 0 1 291.398 3.723 20 0 CHADMN Cc1ncsc1CN[C@H](CC(F)F)c1ccccc1 ZINC000420992711 1122057609 /nfs/dbraw/zinc/05/76/09/1122057609.db2.gz LGRDALGUYXWOPF-GFCCVEGCSA-N 0 1 282.359 3.938 20 0 CHADMN CC(C)[C@@H](C)C(=O)N1CCC(c2n[nH]c3ccccc32)CC1 ZINC001181496508 1122058785 /nfs/dbraw/zinc/05/87/85/1122058785.db2.gz WDKYLXXDGSBCRT-CYBMUJFWSA-N 0 1 299.418 3.561 20 0 CHADMN C/C(=C/c1ccccc1)CN[C@@H](C)c1nccs1 ZINC000414493717 1122067889 /nfs/dbraw/zinc/06/78/89/1122067889.db2.gz JAXNFQIEARUIGS-UKVQZPPCSA-N 0 1 258.390 3.897 20 0 CHADMN O=C(Nc1c(Cl)ccc(O)c1Cl)[C@H]1C[C@]1(F)Cl ZINC001181664398 1122068611 /nfs/dbraw/zinc/06/86/11/1122068611.db2.gz HTTBATHPZWASGD-PHNJOPHVSA-N 0 1 298.528 3.562 20 0 CHADMN CCOc1cc(CN(CC)Cc2ccc(F)cc2)ccn1 ZINC001250014317 1122071791 /nfs/dbraw/zinc/07/17/91/1122071791.db2.gz HXTIRLXDQVDRCS-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN CC[C@H](CC(C)C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC001181833628 1122083851 /nfs/dbraw/zinc/08/38/51/1122083851.db2.gz VKGBYQZIJNDHCB-GFCCVEGCSA-N 0 1 273.380 3.882 20 0 CHADMN CC[C@@H](CC(C)C)C(=O)Nc1nc(Cl)cc2[nH]cnc21 ZINC001181816483 1122084059 /nfs/dbraw/zinc/08/40/59/1122084059.db2.gz LXYFCYHZBSHUDU-VIFPVBQESA-N 0 1 294.786 3.622 20 0 CHADMN F[C@@H]1CCCC[C@H]1NCc1cnc(C2CCC2)s1 ZINC000414509051 1122087957 /nfs/dbraw/zinc/08/79/57/1122087957.db2.gz DTZSNQOFUXWDAF-CHWSQXEVSA-N 0 1 268.401 3.781 20 0 CHADMN c1cc2c(cccc2CN[C@@H]2CCCc3scnc32)[nH]1 ZINC000631808180 1129030547 /nfs/dbraw/zinc/03/05/47/1129030547.db2.gz YAUYRYAQJYUAGA-CQSZACIVSA-N 0 1 283.400 3.792 20 0 CHADMN COc1ccc(CN(C)Cc2cccc(C3CC3)c2)cc1O ZINC000421324750 1122092288 /nfs/dbraw/zinc/09/22/88/1122092288.db2.gz YOLFZTXWLSLBKR-UHFFFAOYSA-N 0 1 297.398 3.910 20 0 CHADMN CC[C@@H](C)C1CCC(NC(=O)[C@H]2CCCCN2CC)CC1 ZINC001182002105 1122102186 /nfs/dbraw/zinc/10/21/86/1122102186.db2.gz XVIOPDIFPDZZMY-RDHHWEPZSA-N 0 1 294.483 3.582 20 0 CHADMN CCN1CCCC[C@@H]1C(=O)Nc1cccc(C(C)(C)C)c1 ZINC001181998297 1122102585 /nfs/dbraw/zinc/10/25/85/1122102585.db2.gz NQGQQVNYUXKXGJ-MRXNPFEDSA-N 0 1 288.435 3.797 20 0 CHADMN CC[C@H](N[C@@H]1CCCn2nccc21)c1ccccc1F ZINC000631810633 1129031460 /nfs/dbraw/zinc/03/14/60/1129031460.db2.gz XCONXZOAVUTVIC-LSDHHAIUSA-N 0 1 273.355 3.598 20 0 CHADMN Cc1ccc(CN(C(C)C)[C@@H](C)c2ccsc2)nn1 ZINC000421376955 1122105399 /nfs/dbraw/zinc/10/53/99/1122105399.db2.gz SFOIRNWFXKICOT-ZDUSSCGKSA-N 0 1 275.421 3.818 20 0 CHADMN COc1cccc(CN[C@H]2CCc3cc(F)ccc32)c1F ZINC000192674946 1122107158 /nfs/dbraw/zinc/10/71/58/1122107158.db2.gz LXPUMCKOFWQNNM-HNNXBMFYSA-N 0 1 289.325 3.751 20 0 CHADMN Cc1cc(CNCc2ccc(F)c(Cl)c2)cc(C)n1 ZINC000421382371 1122108221 /nfs/dbraw/zinc/10/82/21/1122108221.db2.gz NFOODHHSTLLLDK-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN Cc1ccc(CN2CCC[C@H](CC(F)(F)F)C2)o1 ZINC000421387883 1122109757 /nfs/dbraw/zinc/10/97/57/1122109757.db2.gz JGYFVOQDGJECGC-LLVKDONJSA-N 0 1 261.287 3.752 20 0 CHADMN CC[N@H+]1CCC[C@H](Nc2cc(C)c(OC)cc2Cl)C1 ZINC001182141617 1122114737 /nfs/dbraw/zinc/11/47/37/1122114737.db2.gz VSBWHPBGHRVWOR-LBPRGKRZSA-N 0 1 282.815 3.553 20 0 CHADMN CSCc1ccc(CN2CC(CC(F)(F)F)C2)cc1 ZINC001182216500 1122122040 /nfs/dbraw/zinc/12/20/40/1122122040.db2.gz RJSBITRSKIXSOL-UHFFFAOYSA-N 0 1 289.366 3.934 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263097628 1129033288 /nfs/dbraw/zinc/03/32/88/1129033288.db2.gz ATHZRLUOFYKZMZ-FOGDFJRCSA-N 0 1 299.773 3.583 20 0 CHADMN Cc1cc(Br)ccc1CNCc1ccns1 ZINC000404324272 1122131993 /nfs/dbraw/zinc/13/19/93/1122131993.db2.gz LGTZUDTUMDUTST-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN CC[C@@]1(C)CC[N@@H+](Cc2ccc(C)nc2Cl)C1 ZINC000688552861 1129034459 /nfs/dbraw/zinc/03/44/59/1129034459.db2.gz YCHSJDJGVXBWKD-AWEZNQCLSA-N 0 1 252.789 3.665 20 0 CHADMN CC[C@@]1(C)CCN(Cc2ccc(C)nc2Cl)C1 ZINC000688552861 1129034461 /nfs/dbraw/zinc/03/44/61/1129034461.db2.gz YCHSJDJGVXBWKD-AWEZNQCLSA-N 0 1 252.789 3.665 20 0 CHADMN CC(C)CC1(C(=O)NOc2ccccc2)CCCC1 ZINC000774273524 1122151413 /nfs/dbraw/zinc/15/14/13/1122151413.db2.gz ZDPGHYPEMRREFO-UHFFFAOYSA-N 0 1 261.365 3.703 20 0 CHADMN CCC[C@@H](Cc1ccccc1)N[C@@H](C)c1csnn1 ZINC000414556241 1122157454 /nfs/dbraw/zinc/15/74/54/1122157454.db2.gz YBHPQVOJFKXNMU-JSGCOSHPSA-N 0 1 275.421 3.600 20 0 CHADMN Cc1nn(C)cc1CN1CCC[C@H]1c1cccc(Cl)c1 ZINC000153430059 1129035727 /nfs/dbraw/zinc/03/57/27/1129035727.db2.gz FRTJLRBZTLOUQM-INIZCTEOSA-N 0 1 289.810 3.719 20 0 CHADMN Cc1ccccc1[C@]1(F)CCN(Cc2cccc(O)c2)C1 ZINC000503073633 1122165855 /nfs/dbraw/zinc/16/58/55/1122165855.db2.gz MVVWXNDIQKHXSQ-SFHVURJKSA-N 0 1 285.362 3.771 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc(OC3CC3)c2F)[C@H](C)C1 ZINC001182489100 1122172575 /nfs/dbraw/zinc/17/25/75/1122172575.db2.gz JTLYUMUXMVPUPE-CHWSQXEVSA-N 0 1 277.383 3.987 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc(Cl)c(N)c(Cl)c1)c1cn[nH]c1 ZINC000271749911 1122174127 /nfs/dbraw/zinc/17/41/27/1122174127.db2.gz RKCKWICHYVMFCL-JGVFFNPUSA-N 0 1 299.205 3.711 20 0 CHADMN Fc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCc2c[nH]nc21 ZINC000271747300 1122174177 /nfs/dbraw/zinc/17/41/77/1122174177.db2.gz WVJPIBGEPSGZKX-JKSUJKDBSA-N 0 1 285.366 3.593 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1ccc(Cl)cn1 ZINC000271827160 1122177676 /nfs/dbraw/zinc/17/76/76/1122177676.db2.gz DCMJRFFTSWKVHC-HNNXBMFYSA-N 0 1 276.742 3.651 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1ccc(Cl)cn1 ZINC000271827163 1122177771 /nfs/dbraw/zinc/17/77/71/1122177771.db2.gz DCMJRFFTSWKVHC-OAHLLOKOSA-N 0 1 276.742 3.651 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H](C)c2cccc(F)c2F)n[nH]1 ZINC000271949888 1122185028 /nfs/dbraw/zinc/18/50/28/1122185028.db2.gz KDJFLGVXEARSMN-ZJUUUORDSA-N 0 1 294.349 3.618 20 0 CHADMN C[C@@H]1C[C@H]1[C@H](NCc1ccno1)c1ccc(Cl)cc1 ZINC000272014329 1122187413 /nfs/dbraw/zinc/18/74/13/1122187413.db2.gz KJNCMLZALHMXAH-VCTAVGKDSA-N 0 1 276.767 3.815 20 0 CHADMN Cc1ccc(CN(C)C2CCCCC2)c(Cl)n1 ZINC000688557220 1129037279 /nfs/dbraw/zinc/03/72/79/1129037279.db2.gz VUTAUMYZLOAADH-UHFFFAOYSA-N 0 1 252.789 3.808 20 0 CHADMN COc1cccc(C2(N[C@H](C)c3cnccc3C)CC2)c1 ZINC000272170149 1122192527 /nfs/dbraw/zinc/19/25/27/1122192527.db2.gz DELMYQDJCSSMQL-CQSZACIVSA-N 0 1 282.387 3.739 20 0 CHADMN C[C@H](NCc1ccns1)c1ccc(Cl)cc1 ZINC000404444087 1122192855 /nfs/dbraw/zinc/19/28/55/1122192855.db2.gz JHQTVUVKVZZDDU-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cn3ccsc3n1)[C@@H](C)C2 ZINC000272390326 1122199571 /nfs/dbraw/zinc/19/95/71/1122199571.db2.gz IVPMAJWCZVMSCA-LRDDRELGSA-N 0 1 297.427 3.727 20 0 CHADMN CC(C)c1nnc(CNCC[C@@H]2CCCC2(C)C)s1 ZINC001183009297 1122199932 /nfs/dbraw/zinc/19/99/32/1122199932.db2.gz BPYSGMRFZWSFRK-LBPRGKRZSA-N 0 1 281.469 3.968 20 0 CHADMN COCC[C@H](NCc1ccc(Cl)s1)c1ccco1 ZINC000272412082 1122201107 /nfs/dbraw/zinc/20/11/07/1122201107.db2.gz CBJBJMKYONRZNK-NSHDSACASA-N 0 1 285.796 3.862 20 0 CHADMN COCC[C@@H](NCc1ccc2c(c1)CCC2)c1ccco1 ZINC000272412143 1122201598 /nfs/dbraw/zinc/20/15/98/1122201598.db2.gz CCEUEKQVKWUPBP-QGZVFWFLSA-N 0 1 285.387 3.636 20 0 CHADMN COc1c(O)cccc1CNC1(c2ccccc2)CCC1 ZINC000272430217 1122202513 /nfs/dbraw/zinc/20/25/13/1122202513.db2.gz NGPLYURFKAGWPS-UHFFFAOYSA-N 0 1 283.371 3.570 20 0 CHADMN C[C@@H](CO)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000272489051 1122203327 /nfs/dbraw/zinc/20/33/27/1122203327.db2.gz UHPWXKOFWUUISW-ZBEGNZNMSA-N 0 1 293.769 3.539 20 0 CHADMN COCC[C@@H](NCc1cccc(Cl)c1)c1ccco1 ZINC000272505471 1122204528 /nfs/dbraw/zinc/20/45/28/1122204528.db2.gz HBSKMQRHKINMPN-CQSZACIVSA-N 0 1 279.767 3.800 20 0 CHADMN CCC[C@@H](CNCc1c(Cl)ccnc1Cl)OCC ZINC001183065282 1122205085 /nfs/dbraw/zinc/20/50/85/1122205085.db2.gz KBZTVROUMONOJN-JTQLQIEISA-N 0 1 291.222 3.683 20 0 CHADMN Fc1ccc(CN2CCCc3n[nH]cc3C2)c2ccccc12 ZINC001183103843 1122206820 /nfs/dbraw/zinc/20/68/20/1122206820.db2.gz PNSUPPBRLQPCRM-UHFFFAOYSA-N 0 1 295.361 3.650 20 0 CHADMN COCC[C@H](NCc1ccc(C)c(F)c1)c1ccco1 ZINC000272625016 1122207747 /nfs/dbraw/zinc/20/77/47/1122207747.db2.gz WVQVFYLJKBUNDJ-HNNXBMFYSA-N 0 1 277.339 3.595 20 0 CHADMN COCC[C@H](N[C@@H](C)c1ccsc1)c1ccco1 ZINC000272594294 1122208096 /nfs/dbraw/zinc/20/80/96/1122208096.db2.gz SNYZKMHPKRDUCH-AAEUAGOBSA-N 0 1 265.378 3.770 20 0 CHADMN Cc1ccccc1CNc1ccc2[nH]cnc2c1C ZINC001161620981 1122209153 /nfs/dbraw/zinc/20/91/53/1122209153.db2.gz QJJJVVIQHYDHRX-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN COc1ncc(CN[C@@H](C)c2cccs2)cc1Cl ZINC000273230399 1122224733 /nfs/dbraw/zinc/22/47/33/1122224733.db2.gz CGKGWCNPBLCCOU-VIFPVBQESA-N 0 1 282.796 3.656 20 0 CHADMN O[C@@H](CN1CC2(C1)CCCCC2)c1ccc(F)cc1Cl ZINC000774645603 1122228578 /nfs/dbraw/zinc/22/85/78/1122228578.db2.gz FHKFKTGADOYHPI-HNNXBMFYSA-N 0 1 297.801 3.779 20 0 CHADMN CCCSC[C@@H](C)NCc1noc2c1CC(C)(C)CC2 ZINC001183643465 1122231741 /nfs/dbraw/zinc/23/17/41/1122231741.db2.gz RIAQJZQTJNZCIN-GFCCVEGCSA-N 0 1 296.480 3.811 20 0 CHADMN C[C@]1(c2ccccc2)CC[C@@H](N2CCn3cccc3C2)C1 ZINC001183737541 1122237905 /nfs/dbraw/zinc/23/79/05/1122237905.db2.gz AEICAVBUGXCACW-MJGOQNOKSA-N 0 1 280.415 3.814 20 0 CHADMN Cc1[nH]nc(CN[C@H](c2cccc(Cl)c2)C(F)F)c1C ZINC001183811283 1122238744 /nfs/dbraw/zinc/23/87/44/1122238744.db2.gz HVXTVEUVBIXBKQ-CYBMUJFWSA-N 0 1 299.752 3.776 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3c(Cl)cccc32)on1 ZINC000273557819 1122238694 /nfs/dbraw/zinc/23/86/94/1122238694.db2.gz HIKLIUSBPMIXBY-HNNXBMFYSA-N 0 1 276.767 3.804 20 0 CHADMN F[C@H]1COc2ccccc2[C@H]1NC[C@@H]1C[C@H]1c1ccccc1 ZINC001183787553 1122238994 /nfs/dbraw/zinc/23/89/94/1122238994.db2.gz BTHYRCFOGWHKHB-PCODUJHASA-N 0 1 297.373 3.852 20 0 CHADMN F[C@@H]1COc2ccccc2[C@@H]1N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001183798967 1122240208 /nfs/dbraw/zinc/24/02/08/1122240208.db2.gz HIKCRUQKNMHCAK-JRBRJCQASA-N 0 1 275.367 3.627 20 0 CHADMN F[C@@H]1COc2ccccc2[C@@H]1N[C@H]1C[C@@H]2CCCC[C@@H]21 ZINC001183798966 1122240434 /nfs/dbraw/zinc/24/04/34/1122240434.db2.gz HIKCRUQKNMHCAK-FXMDWNBTSA-N 0 1 275.367 3.627 20 0 CHADMN Cc1cccc(CN2CCC(Nc3ccccn3)CC2)c1F ZINC001183864667 1122245014 /nfs/dbraw/zinc/24/50/14/1122245014.db2.gz NFPOGKAEZQQSJY-UHFFFAOYSA-N 0 1 299.393 3.606 20 0 CHADMN [O-]c1cc(F)c(CC[NH2+][C@@H]2CCCC23CCCC3)c(F)c1 ZINC001183972640 1122249656 /nfs/dbraw/zinc/24/96/56/1122249656.db2.gz WSQWXFXGTSIOBD-MRXNPFEDSA-N 0 1 295.373 3.915 20 0 CHADMN Cc1cccc(C)c1CN(C)Cc1cnn(CC2CCC2)c1 ZINC001184034543 1122253012 /nfs/dbraw/zinc/25/30/12/1122253012.db2.gz DBHVEIWBJMWASM-UHFFFAOYSA-N 0 1 297.446 3.932 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccccc2)o1 ZINC000414683704 1122266059 /nfs/dbraw/zinc/26/60/59/1122266059.db2.gz PQUDJNMEBYMGAB-ZDUSSCGKSA-N 0 1 287.359 3.632 20 0 CHADMN Cc1nccc(N2CC[C@H](C(F)(F)F)[C@H]2C)c1Cl ZINC000503581685 1122268072 /nfs/dbraw/zinc/26/80/72/1122268072.db2.gz QDWLJBMDEJKIMF-BDAKNGLRSA-N 0 1 278.705 3.821 20 0 CHADMN C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCOC(C)(C)C1 ZINC000503993006 1122283735 /nfs/dbraw/zinc/28/37/35/1122283735.db2.gz XFLPPUBWIDHNNO-LLVKDONJSA-N 0 1 287.325 3.877 20 0 CHADMN C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOC(C)(C)C1 ZINC000503993006 1122283739 /nfs/dbraw/zinc/28/37/39/1122283739.db2.gz XFLPPUBWIDHNNO-LLVKDONJSA-N 0 1 287.325 3.877 20 0 CHADMN Cc1ccc(CNCc2ccc3c(c2)CC(C)(C)O3)o1 ZINC000071170391 1129044576 /nfs/dbraw/zinc/04/45/76/1129044576.db2.gz WLCZYJJUKKVGPE-UHFFFAOYSA-N 0 1 271.360 3.591 20 0 CHADMN FC[C@@H]1CCCN(Cc2cccc(Br)c2)C1 ZINC000711509710 1122297289 /nfs/dbraw/zinc/29/72/89/1122297289.db2.gz DVOJLVNQZINRLI-LBPRGKRZSA-N 0 1 286.188 3.631 20 0 CHADMN CCc1ccc(F)cc1C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000632259660 1129045527 /nfs/dbraw/zinc/04/55/27/1129045527.db2.gz QWJILDRHNUAUOR-UHFFFAOYSA-N 0 1 297.280 3.610 20 0 CHADMN C[C@@H](NC(=O)Nc1cc(O)c(F)c(F)c1)c1ccccc1 ZINC001185023152 1122308013 /nfs/dbraw/zinc/30/80/13/1122308013.db2.gz HTKXYEMDFRANHD-SECBINFHSA-N 0 1 292.285 3.553 20 0 CHADMN C[C@H](NCc1nc(C(C)(C)C)cs1)C1(Cl)CC1 ZINC000924970788 1122313485 /nfs/dbraw/zinc/31/34/85/1122313485.db2.gz UDYYUMASUNGSJN-VIFPVBQESA-N 0 1 272.845 3.690 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1ccc(C)nc1Cl ZINC000688565303 1129046392 /nfs/dbraw/zinc/04/63/92/1129046392.db2.gz BCWWSMPIZDKXKK-LLVKDONJSA-N 0 1 272.845 3.617 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3CCC(C)(C)C3)cc(F)c12 ZINC001185166892 1122322456 /nfs/dbraw/zinc/32/24/56/1122322456.db2.gz IDLXFBWCFRUQSF-SNVBAGLBSA-N 0 1 289.354 3.775 20 0 CHADMN Cc1cc2cc(NS(=O)(=O)c3ccsc3)ccc2o1 ZINC001185390356 1122335866 /nfs/dbraw/zinc/33/58/66/1122335866.db2.gz GGTYIUHQKPICJB-UHFFFAOYSA-N 0 1 293.369 3.604 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@H]1CCC[C@@H](F)C1 ZINC000424777452 1122342283 /nfs/dbraw/zinc/34/22/83/1122342283.db2.gz JYJTWZBVUISJEC-JGVFFNPUSA-N 0 1 289.709 3.652 20 0 CHADMN O=C(NCc1ccc(F)cc1)Nc1cccc(Cl)c1O ZINC001185471581 1122342768 /nfs/dbraw/zinc/34/27/68/1122342768.db2.gz DSMSBHFWMPMLOD-UHFFFAOYSA-N 0 1 294.713 3.506 20 0 CHADMN FC(F)(F)c1cnccc1N[C@H]1C[C@@H]1C1CCCCC1 ZINC001185555252 1122346228 /nfs/dbraw/zinc/34/62/28/1122346228.db2.gz MUTKZWGXNWXXDP-RISCZKNCSA-N 0 1 284.325 3.903 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000505342591 1122357883 /nfs/dbraw/zinc/35/78/83/1122357883.db2.gz HQPXTRJQFMZCQT-TXEJJXNPSA-N 0 1 291.826 3.705 20 0 CHADMN CO[C@@H]1CCCN(CCc2cccc(Cl)c2Cl)C1 ZINC000434478913 1122371298 /nfs/dbraw/zinc/37/12/98/1122371298.db2.gz IDZACXCAIFJQRN-GFCCVEGCSA-N 0 1 288.218 3.647 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)NC/C=C\Cl ZINC000774980814 1122377666 /nfs/dbraw/zinc/37/76/66/1122377666.db2.gz KKGCGZZUVDKBHR-OJIASSBASA-N 0 1 253.773 3.877 20 0 CHADMN CC[C@@]1(C)COCCN1C[C@@H](OC)c1ccc(Cl)cc1 ZINC000514118679 1122380649 /nfs/dbraw/zinc/38/06/49/1122380649.db2.gz MCDVYXAEGBEAFT-CVEARBPZSA-N 0 1 297.826 3.528 20 0 CHADMN CCc1nocc1CNC(C)(C)c1ccc(CC)cc1 ZINC000660199184 1129051235 /nfs/dbraw/zinc/05/12/35/1129051235.db2.gz DQFBLSGUIKVYOS-UHFFFAOYSA-N 0 1 272.392 3.824 20 0 CHADMN C[C@H](F)CCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000505461757 1122391681 /nfs/dbraw/zinc/39/16/81/1122391681.db2.gz MJUCVEQCXBVBLQ-QMMMGPOBSA-N 0 1 285.775 3.965 20 0 CHADMN CC(C)[C@H]1N(Cc2cc(O)cc(F)c2)CC12CCC2 ZINC000430101684 1122404274 /nfs/dbraw/zinc/40/42/74/1122404274.db2.gz JFSZMABRAYBPNL-OAHLLOKOSA-N 0 1 263.356 3.542 20 0 CHADMN Cc1cc(F)ccc1C1CCN(Cc2cncs2)CC1 ZINC000430105639 1122405298 /nfs/dbraw/zinc/40/52/98/1122405298.db2.gz PENKCKFKQWNRCC-UHFFFAOYSA-N 0 1 290.407 3.970 20 0 CHADMN Cc1ccc(-c2csc(CSc3c[nH]nn3)n2)cc1 ZINC000505560863 1122418411 /nfs/dbraw/zinc/41/84/11/1122418411.db2.gz YEXJRABARLWCCK-UHFFFAOYSA-N 0 1 288.401 3.529 20 0 CHADMN c1ccc([C@H]2CCN2Cc2ccc(N3CCCC3)nc2)cc1 ZINC000434979875 1122425144 /nfs/dbraw/zinc/42/51/44/1122425144.db2.gz YCOQEASHDAFLNC-GOSISDBHSA-N 0 1 293.414 3.629 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN(C)Cc1cccs1 ZINC000505586132 1122427559 /nfs/dbraw/zinc/42/75/59/1122427559.db2.gz ROGYQBRSAOMFJJ-UHFFFAOYSA-N 0 1 291.464 3.948 20 0 CHADMN O=C(Nc1cc(F)cc(F)c1)Nc1cccc(Cl)c1O ZINC001187570532 1122432673 /nfs/dbraw/zinc/43/26/73/1122432673.db2.gz SRMRDICTEKPGJW-UHFFFAOYSA-N 0 1 298.676 3.968 20 0 CHADMN Clc1ccc(Cl)c(CNCCOCC2CCC2)c1 ZINC000514641492 1122434964 /nfs/dbraw/zinc/43/49/64/1122434964.db2.gz LLJOWHVWJAICIF-UHFFFAOYSA-N 0 1 288.218 3.900 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435130886 1122437071 /nfs/dbraw/zinc/43/70/71/1122437071.db2.gz WGWGIKMXVFAFRU-NSHDSACASA-N 0 1 287.388 3.924 20 0 CHADMN Cc1cnc(CN[C@@H](c2ccc(Cl)cc2)C(C)C)cn1 ZINC000505612812 1122439876 /nfs/dbraw/zinc/43/98/76/1122439876.db2.gz UCCQOBVGXZETGP-MRXNPFEDSA-N 0 1 289.810 3.925 20 0 CHADMN COc1ccccc1CN(C)C/C=C\c1ccc(F)cc1 ZINC000505628780 1122442614 /nfs/dbraw/zinc/44/26/14/1122442614.db2.gz AYDPWUYJAQXVCW-WAYWQWQTSA-N 0 1 285.362 3.980 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc2c(c(Cl)c1)OCO2 ZINC000514736542 1122445092 /nfs/dbraw/zinc/44/50/92/1122445092.db2.gz VIYPXBCERXNPCT-GFCCVEGCSA-N 0 1 281.783 3.833 20 0 CHADMN CCc1ccc(CN2CCn3cccc3[C@H]2C)cc1 ZINC000505640436 1122447386 /nfs/dbraw/zinc/44/73/86/1122447386.db2.gz UQNMHPGOTSSNMX-CQSZACIVSA-N 0 1 254.377 3.627 20 0 CHADMN CCCN(Cc1cncn1C(C)C)Cc1ccccc1 ZINC000425330665 1122455407 /nfs/dbraw/zinc/45/54/07/1122455407.db2.gz XUOCREYACODNDW-UHFFFAOYSA-N 0 1 271.408 3.876 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCc3ccncc3C)n2)cc1 ZINC001188168869 1122456874 /nfs/dbraw/zinc/45/68/74/1122456874.db2.gz DHGUYOLRMFNJSN-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN CS[C@@H]1CC[C@H]1N[C@H](c1cccc(C)c1)c1ccccn1 ZINC000425337891 1122457680 /nfs/dbraw/zinc/45/76/80/1122457680.db2.gz AKRYUFDXRJRSDA-KBAYOESNSA-N 0 1 298.455 3.963 20 0 CHADMN CS[C@H]1CC[C@H](N(C)Cc2csc(C(C)C)n2)C1 ZINC000075922246 1122460371 /nfs/dbraw/zinc/46/03/71/1122460371.db2.gz QTAXVDQUZUPSEY-STQMWFEESA-N 0 1 284.494 3.982 20 0 CHADMN COc1ccc(-c2n[nH]c(SCCC=C(C)C)n2)cc1 ZINC001188275943 1122461069 /nfs/dbraw/zinc/46/10/69/1122461069.db2.gz LIZLBCRVCVHUGM-UHFFFAOYSA-N 0 1 289.404 3.929 20 0 CHADMN CCC[C@@H]1CCCN(CC(=O)Nc2ccc(C)c(F)c2)C1 ZINC001167958928 1122465697 /nfs/dbraw/zinc/46/56/97/1122465697.db2.gz MKWLCWISBUDABG-CQSZACIVSA-N 0 1 292.398 3.585 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000514988151 1122470869 /nfs/dbraw/zinc/47/08/69/1122470869.db2.gz SFIWQUQUKUBQKN-OAHLLOKOSA-N 0 1 297.333 3.586 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@H]1C1CC1)c1nc(C(C)(C)C)no1 ZINC000515027736 1122470895 /nfs/dbraw/zinc/47/08/95/1122470895.db2.gz BPUDIHIFFYWDNB-WCFLWFBJSA-N 0 1 277.412 3.596 20 0 CHADMN O=C(Cc1c(F)ccc(F)c1F)c1cccs1 ZINC001250305551 1122485347 /nfs/dbraw/zinc/48/53/47/1122485347.db2.gz NCEDFJOYYHFLCF-UHFFFAOYSA-N 0 1 256.248 3.591 20 0 CHADMN Cc1cccc2nc(NC(=O)c3c(C)cccc3C)[nH]c21 ZINC001189038884 1122486254 /nfs/dbraw/zinc/48/62/54/1122486254.db2.gz XZYQPAQVFREJRL-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN O=C1CCC[C@H]2CN(Cc3ccccc3C(F)(F)F)C[C@H]12 ZINC001203697935 1122489864 /nfs/dbraw/zinc/48/98/64/1122489864.db2.gz LYPNUFLPCUJOTA-AAEUAGOBSA-N 0 1 297.320 3.506 20 0 CHADMN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCCCCC(=O)[O-] ZINC000515491061 1122504653 /nfs/dbraw/zinc/50/46/53/1122504653.db2.gz VIJLXQKUEKOKSB-HIFRSBDPSA-N 0 1 293.382 3.649 20 0 CHADMN C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCCCCC(=O)[O-] ZINC000515491063 1122504693 /nfs/dbraw/zinc/50/46/93/1122504693.db2.gz VIJLXQKUEKOKSB-ZFWWWQNUSA-N 0 1 293.382 3.649 20 0 CHADMN Cc1ccc(-c2noc([C@@H](C)N[C@H](C)C3CC3)n2)cc1F ZINC000505748652 1122506562 /nfs/dbraw/zinc/50/65/62/1122506562.db2.gz ZAOOBVCSVIVILN-GHMZBOCLSA-N 0 1 289.354 3.633 20 0 CHADMN CCCCc1nc2ccc(NC(=O)c3[nH]ccc3C)cc2[nH]1 ZINC000436119705 1122514315 /nfs/dbraw/zinc/51/43/15/1122514315.db2.gz DOUVVJCVCFREPZ-UHFFFAOYSA-N 0 1 296.374 3.794 20 0 CHADMN CC(C)c1nc(CSC[C@@H]2CC[C@H]3C[C@H]3C2)n[nH]1 ZINC001189832416 1122516980 /nfs/dbraw/zinc/51/69/80/1122516980.db2.gz MTFNSPXIASVSQW-GRYCIOLGSA-N 0 1 265.426 3.598 20 0 CHADMN CC(C)c1nc(C[N@H+]2CC[C@H](C)C[C@H]2C)cs1 ZINC000077319433 1122530201 /nfs/dbraw/zinc/53/02/01/1122530201.db2.gz COFJSAXKBOAYIH-NWDGAFQWSA-N 0 1 252.427 3.887 20 0 CHADMN CC(C)c1nc(CN2CC[C@H](C)C[C@H]2C)cs1 ZINC000077319433 1122530204 /nfs/dbraw/zinc/53/02/04/1122530204.db2.gz COFJSAXKBOAYIH-NWDGAFQWSA-N 0 1 252.427 3.887 20 0 CHADMN Cc1nc(-c2cc([C@H](C)NCCF)cs2)cs1 ZINC000436286588 1122531150 /nfs/dbraw/zinc/53/11/50/1122531150.db2.gz BJLDAPRWDMKAPG-QMMMGPOBSA-N 0 1 270.398 3.800 20 0 CHADMN C[C@H](c1ccccc1F)N(C)C[C@H]1CCC2(CCC2)O1 ZINC001190393264 1122534670 /nfs/dbraw/zinc/53/46/70/1122534670.db2.gz ZMDQHXWBCVIBSR-ZIAGYGMSSA-N 0 1 277.383 3.920 20 0 CHADMN CC1(C)COCCN1CCCSc1ccccc1Cl ZINC000110911048 1122535508 /nfs/dbraw/zinc/53/55/08/1122535508.db2.gz SJXYJJNURIMXMH-UHFFFAOYSA-N 0 1 299.867 3.933 20 0 CHADMN CSC[C@@H](NCCF)c1ccc(C(F)(F)F)cc1 ZINC000436318461 1122537494 /nfs/dbraw/zinc/53/74/94/1122537494.db2.gz YCACITSXGKTGCL-LLVKDONJSA-N 0 1 281.318 3.669 20 0 CHADMN CC[C@@H](NCc1ccncc1)c1cc(F)ccc1F ZINC000077454340 1122538961 /nfs/dbraw/zinc/53/89/61/1122538961.db2.gz OJQYMRXLGFQUJM-OAHLLOKOSA-N 0 1 262.303 3.601 20 0 CHADMN CC[C@](C)(NCc1nccn1C(C)C)c1ccccc1 ZINC000775390186 1122539581 /nfs/dbraw/zinc/53/95/81/1122539581.db2.gz JLNBJOAUZSNIQF-KRWDZBQOSA-N 0 1 271.408 3.879 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2CC[C@@H](C)C[C@H]2C)c(C)c1 ZINC000425525270 1122542266 /nfs/dbraw/zinc/54/22/66/1122542266.db2.gz SUJWOLLVORLQRG-MLGOLLRUSA-N 0 1 288.435 3.671 20 0 CHADMN Oc1c(Cl)cc(Cl)cc1/C=N/CCCOC(F)F ZINC000193235180 1129061471 /nfs/dbraw/zinc/06/14/71/1129061471.db2.gz HFGMBVQTPWZYML-OMCISZLKSA-N 0 1 298.116 3.747 20 0 CHADMN Cc1ccc(-c2nnc(CN3CC[C@@H](C)C[C@H]3C)o2)cc1 ZINC000425526600 1122543429 /nfs/dbraw/zinc/54/34/29/1122543429.db2.gz XENQSSRSDDGTOM-ZIAGYGMSSA-N 0 1 285.391 3.665 20 0 CHADMN Cc1cnc(CN2CC(C)(C)C[C@@H]2c2ccccc2)o1 ZINC000425535554 1122545238 /nfs/dbraw/zinc/54/52/38/1122545238.db2.gz DKMRVXWLIVXJRF-OAHLLOKOSA-N 0 1 270.376 3.956 20 0 CHADMN CN(Cc1cc(O)c(Cl)c(F)c1F)C1CC(F)(F)C1 ZINC001250387128 1122549157 /nfs/dbraw/zinc/54/91/57/1122549157.db2.gz GKWRGNUPIVSHER-UHFFFAOYSA-N 0 1 297.679 3.553 20 0 CHADMN CCn1nc(C)c(CN2CCC[C@H]2CC2CCCCC2)n1 ZINC001190643887 1122549859 /nfs/dbraw/zinc/54/98/59/1122549859.db2.gz PTKKRDOGHGKBCO-INIZCTEOSA-N 0 1 290.455 3.541 20 0 CHADMN FC(F)(F)COCCN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000505826078 1122551237 /nfs/dbraw/zinc/55/12/37/1122551237.db2.gz OKMJQNKDLRFMCX-XVJNWHFHSA-N 0 1 299.336 3.743 20 0 CHADMN CCC[C@H](C)CCCN1CCN(C(=O)OCC(C)C)CC1 ZINC001190740910 1122554038 /nfs/dbraw/zinc/55/40/38/1122554038.db2.gz BCRXCWNHAXGXEZ-INIZCTEOSA-N 0 1 298.471 3.613 20 0 CHADMN CC(C)CCCN1CCN(C(=O)CC2CCCCC2)CC1 ZINC001190731722 1122554082 /nfs/dbraw/zinc/55/40/82/1122554082.db2.gz RUQNICAOBIPOCF-UHFFFAOYSA-N 0 1 294.483 3.537 20 0 CHADMN CC(C)C[C@@H](C)CSc1nc(-c2ccccc2O)n[nH]1 ZINC000436511747 1122555791 /nfs/dbraw/zinc/55/57/91/1122555791.db2.gz JHPDYQXSTRRJEF-LLVKDONJSA-N 0 1 291.420 3.952 20 0 CHADMN COc1ccnc(CN2CCC[C@@H]2/C=C\c2ccccc2)c1 ZINC000505840140 1122557061 /nfs/dbraw/zinc/55/70/61/1122557061.db2.gz OVGWEUMXNJAJHS-HJCTWCACSA-N 0 1 294.398 3.768 20 0 CHADMN FC1(F)CCC[C@@H](Nc2ccc3c(n2)CCCC3)C1 ZINC000712347031 1122561788 /nfs/dbraw/zinc/56/17/88/1122561788.db2.gz QDVLJXJHJBSEJK-GFCCVEGCSA-N 0 1 266.335 3.950 20 0 CHADMN CC[C@@H](C)C1CCC(NC(=O)c2ccn3cncc3c2)CC1 ZINC001151909161 1122563337 /nfs/dbraw/zinc/56/33/37/1122563337.db2.gz NAWCXWCAABJDGW-VQCLRJIVSA-N 0 1 299.418 3.669 20 0 CHADMN CCCOC(=O)[C@@H](C)N(C)[C@@H](c1ccccc1)C(C)C ZINC001190954685 1122563743 /nfs/dbraw/zinc/56/37/43/1122563743.db2.gz MCRFGAYSHINVOS-GDBMZVCRSA-N 0 1 277.408 3.657 20 0 CHADMN C[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2O)[C@H]1C ZINC000436624910 1122566451 /nfs/dbraw/zinc/56/64/51/1122566451.db2.gz BNYYREYPOLQXPL-UWVGGRQHSA-N 0 1 289.762 3.679 20 0 CHADMN CC[C@H](Cc1ccccc1)NCc1nccc(C(F)F)n1 ZINC000287178886 1122568195 /nfs/dbraw/zinc/56/81/95/1122568195.db2.gz VCRUHFNWCZLATO-CYBMUJFWSA-N 0 1 291.345 3.525 20 0 CHADMN C[C@H](c1ccccc1)N(C(=O)c1c(O)cccc1F)C1CC1 ZINC000436645096 1122569225 /nfs/dbraw/zinc/56/92/25/1122569225.db2.gz AQAKYORVJXMGIH-GFCCVEGCSA-N 0 1 299.345 3.897 20 0 CHADMN C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc(O)c(Cl)c1 ZINC000436683010 1122571809 /nfs/dbraw/zinc/57/18/09/1122571809.db2.gz SHHRXJFHSJKUCV-RYUDHWBXSA-N 0 1 295.810 3.992 20 0 CHADMN CCc1ccc([C@@H]2COCCN2C[C@H](C)C(C)(C)C)o1 ZINC001191121284 1122575367 /nfs/dbraw/zinc/57/53/67/1122575367.db2.gz JNXIDZITLVKNCB-ZFWWWQNUSA-N 0 1 279.424 3.898 20 0 CHADMN Cc1cccc(CNc2ccc3c(n2)CCCC3)c1 ZINC000712369803 1122575883 /nfs/dbraw/zinc/57/58/83/1122575883.db2.gz IGCOPTFTLALIML-UHFFFAOYSA-N 0 1 252.361 3.881 20 0 CHADMN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1c(O)cccc1F ZINC000436737350 1122576066 /nfs/dbraw/zinc/57/60/66/1122576066.db2.gz IRIDGUPLDHUYDT-RYUDHWBXSA-N 0 1 293.382 3.818 20 0 CHADMN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1c(O)cccc1F ZINC000436737347 1122576322 /nfs/dbraw/zinc/57/63/22/1122576322.db2.gz IRIDGUPLDHUYDT-NWDGAFQWSA-N 0 1 293.382 3.818 20 0 CHADMN C[C@H]1c2c(F)cccc2CCN1C[C@@H]1CC(C)(C)CO1 ZINC001191175920 1122583688 /nfs/dbraw/zinc/58/36/88/1122583688.db2.gz UYXASGHSPAAWHW-JSGCOSHPSA-N 0 1 277.383 3.560 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C2(C)CCCC2)c1 ZINC000436838152 1122586906 /nfs/dbraw/zinc/58/69/06/1122586906.db2.gz QHXSKWICQHVRTO-UHFFFAOYSA-N 0 1 275.348 3.504 20 0 CHADMN Oc1cccc2c1C[C@H](Nc1ccnc3cc(F)ccc31)C2 ZINC000436839826 1122588364 /nfs/dbraw/zinc/58/83/64/1122588364.db2.gz QKLNAKFXLHMKCC-CYBMUJFWSA-N 0 1 294.329 3.659 20 0 CHADMN O=C(Nc1ccccn1)Nc1c(Cl)ccc(O)c1Cl ZINC001191335688 1122590582 /nfs/dbraw/zinc/59/05/82/1122590582.db2.gz UNSPKFGDRBYNCE-UHFFFAOYSA-N 0 1 298.129 3.738 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001191331150 1122593786 /nfs/dbraw/zinc/59/37/86/1122593786.db2.gz XNTAWBUJRYHQHB-UGFHNGPFSA-N 0 1 299.336 3.543 20 0 CHADMN C[C@@H](NCc1n[nH]c(C(C)(C)C)n1)c1ccc(C2CC2)cc1 ZINC000516434775 1122597748 /nfs/dbraw/zinc/59/77/48/1122597748.db2.gz LCPWYSSKYNEYIG-GFCCVEGCSA-N 0 1 298.434 3.830 20 0 CHADMN CC(C)c1ccc(C(=O)Nc2cccc(Cl)c2O)nc1 ZINC000436961806 1122598307 /nfs/dbraw/zinc/59/83/07/1122598307.db2.gz CQKPRFQCJJUGBC-UHFFFAOYSA-N 0 1 290.750 3.816 20 0 CHADMN CCN(C(=O)c1c(O)cccc1F)[C@@H]1CCCC[C@@H]1C ZINC000436982766 1122599794 /nfs/dbraw/zinc/59/97/94/1122599794.db2.gz YOYIUIOZNCMMLD-WCQYABFASA-N 0 1 279.355 3.572 20 0 CHADMN C[C@@H](N(C)CC(=O)Nc1ccc(Cl)c(F)c1)C1(C)CC1 ZINC001191464852 1122602900 /nfs/dbraw/zinc/60/29/00/1122602900.db2.gz RMFKKRBVCYGCDL-SNVBAGLBSA-N 0 1 298.789 3.538 20 0 CHADMN COc1cc(F)c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1OC ZINC000516479323 1122603857 /nfs/dbraw/zinc/60/38/57/1122603857.db2.gz VHBJFAHOMMWXRZ-WFASDCNBSA-N 0 1 293.382 3.607 20 0 CHADMN Cc1nc(CN[C@H]2CCC(C)(C)c3ccccc32)[nH]c1C ZINC000516492055 1122603888 /nfs/dbraw/zinc/60/38/88/1122603888.db2.gz FKHMPCAUNACFJT-INIZCTEOSA-N 0 1 283.419 3.929 20 0 CHADMN Cc1cc(C)cc(N(C)C(=O)c2cc(-c3ccoc3)n[nH]2)c1 ZINC000516527669 1122608947 /nfs/dbraw/zinc/60/89/47/1122608947.db2.gz SZIHOMIRKQNCLU-UHFFFAOYSA-N 0 1 295.342 3.563 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H]1CCc2c1cccc2C ZINC000437088953 1122611634 /nfs/dbraw/zinc/61/16/34/1122611634.db2.gz STVDFQHQPARVNL-GUYCJALGSA-N 0 1 282.387 3.737 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000437141161 1122616602 /nfs/dbraw/zinc/61/66/02/1122616602.db2.gz DHZZTNSTDYBHTB-HUUCEWRRSA-N 0 1 299.336 3.767 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCO[C@@H]2CCC[C@H]21 ZINC000437141161 1122616606 /nfs/dbraw/zinc/61/66/06/1122616606.db2.gz DHZZTNSTDYBHTB-HUUCEWRRSA-N 0 1 299.336 3.767 20 0 CHADMN CCCOC(=O)[C@@H](C)N(Cc1ccccc1)C(C)(C)C ZINC001192052395 1122627882 /nfs/dbraw/zinc/62/78/82/1122627882.db2.gz FUJDGRAKXJIQGV-CQSZACIVSA-N 0 1 277.408 3.629 20 0 CHADMN CC1=CCCN(Cc2cn(C)nc2C2CCCCC2)C1 ZINC000437343839 1122629654 /nfs/dbraw/zinc/62/96/54/1122629654.db2.gz IOKUZYPNIRBPKW-UHFFFAOYSA-N 0 1 273.424 3.620 20 0 CHADMN CC[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1cccc(F)c1 ZINC000506046009 1122632554 /nfs/dbraw/zinc/63/25/54/1122632554.db2.gz OYZAPMLJOBXYBA-UHFFFAOYSA-N 0 1 289.398 3.868 20 0 CHADMN CCN(Cc1c[nH]nc1C(C)(C)C)Cc1cccc(F)c1 ZINC000506046009 1122632559 /nfs/dbraw/zinc/63/25/59/1122632559.db2.gz OYZAPMLJOBXYBA-UHFFFAOYSA-N 0 1 289.398 3.868 20 0 CHADMN CC(C)OC(=O)[C@H](C)N(C)CCC1CCCCCC1 ZINC001192202300 1122633371 /nfs/dbraw/zinc/63/33/71/1122633371.db2.gz ZNBXORYBHXVYLJ-AWEZNQCLSA-N 0 1 269.429 3.619 20 0 CHADMN C[C@@H](N(C)CC(=O)Nc1ccc(F)c(Cl)c1)C1(C)CC1 ZINC000437532005 1122639398 /nfs/dbraw/zinc/63/93/98/1122639398.db2.gz BQHLHDDXDSNFKZ-SNVBAGLBSA-N 0 1 298.789 3.538 20 0 CHADMN c1c[nH]c([C@@H]2CCCN2Cc2c[nH]nc2-c2ccsc2)c1 ZINC000437585510 1122645073 /nfs/dbraw/zinc/64/50/73/1122645073.db2.gz ANBTVGDEXUBORM-HNNXBMFYSA-N 0 1 298.415 3.803 20 0 CHADMN Cc1ccc(N(C)[C@H]2CCC[N@@H+](C/C=C\Cl)C2)cc1 ZINC001192491025 1122648439 /nfs/dbraw/zinc/64/84/39/1122648439.db2.gz YNFWGURKDVZPEH-FIRRRZPPSA-N 0 1 278.827 3.648 20 0 CHADMN Cc1csc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)n1 ZINC001250489391 1122658128 /nfs/dbraw/zinc/65/81/28/1122658128.db2.gz HEXBKANCSGOCHK-UHFFFAOYSA-N 0 1 299.277 3.893 20 0 CHADMN Cc1cc(C)c(CN2CCC[C@@H]2c2ncc[nH]2)cc1C ZINC000437956313 1122667890 /nfs/dbraw/zinc/66/78/90/1122667890.db2.gz OTAXTZRKKTYGFL-MRXNPFEDSA-N 0 1 269.392 3.672 20 0 CHADMN C[C@@H](c1cccnc1)N(C)Cc1cc2c(cccc2F)[nH]1 ZINC000437988320 1122669944 /nfs/dbraw/zinc/66/99/44/1122669944.db2.gz SGUDUKNMGGEXMM-LBPRGKRZSA-N 0 1 283.350 3.895 20 0 CHADMN CCN(Cc1cc2c(cccc2F)[nH]1)Cc1ccccn1 ZINC000438120010 1122681784 /nfs/dbraw/zinc/68/17/84/1122681784.db2.gz VFGGJYBFGJUMNX-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN C[C@]1(c2ccccc2)CC[C@H](N2CCOC3(CCC3)C2)C1 ZINC000438128716 1122681897 /nfs/dbraw/zinc/68/18/97/1122681897.db2.gz PLHGAMVSNJEHBK-ROUUACIJSA-N 0 1 285.431 3.752 20 0 CHADMN Cc1ccc2cc(CN3C[C@H](C)O[C@@H](C)[C@@H]3C)ccc2n1 ZINC000438348952 1122691984 /nfs/dbraw/zinc/69/19/84/1122691984.db2.gz ZSSWZJDLGDPZQV-KKUMJFAQSA-N 0 1 284.403 3.541 20 0 CHADMN Cc1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)no1 ZINC001250520001 1122697999 /nfs/dbraw/zinc/69/79/99/1122697999.db2.gz CDBBDBOGFPKMQE-UHFFFAOYSA-N 0 1 268.103 3.833 20 0 CHADMN O=C(Nc1cc(O)c(F)c(F)c1)OC1CCCCC1 ZINC001193632439 1122703166 /nfs/dbraw/zinc/70/31/66/1122703166.db2.gz HYEAKPQCPSRYRK-UHFFFAOYSA-N 0 1 271.263 3.552 20 0 CHADMN CCc1nc(CN[C@@H](CC(F)(F)F)C(C)C)cs1 ZINC000438477161 1122703682 /nfs/dbraw/zinc/70/36/82/1122703682.db2.gz KCWRGCNECUVVME-JTQLQIEISA-N 0 1 280.359 3.772 20 0 CHADMN O=C(Nc1cnccc1N1CCCC1)OC1CCCCC1 ZINC001193604442 1122705048 /nfs/dbraw/zinc/70/50/48/1122705048.db2.gz KAYRLWVXMRHJNI-UHFFFAOYSA-N 0 1 289.379 3.563 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](C(C)C)C1 ZINC000438510664 1122707238 /nfs/dbraw/zinc/70/72/38/1122707238.db2.gz SRCPFGUSRPQRBH-ZDUSSCGKSA-N 0 1 294.826 3.565 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H](C(C)C)C1 ZINC000438510664 1122707239 /nfs/dbraw/zinc/70/72/39/1122707239.db2.gz SRCPFGUSRPQRBH-ZDUSSCGKSA-N 0 1 294.826 3.565 20 0 CHADMN CC(C)c1cccc(NC(=O)c2cccc3nc[nH]c32)c1 ZINC000438576415 1122711299 /nfs/dbraw/zinc/71/12/99/1122711299.db2.gz MILIRGJLVPELLB-UHFFFAOYSA-N 0 1 279.343 3.939 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)C(C)C ZINC000925036092 1122719403 /nfs/dbraw/zinc/71/94/03/1122719403.db2.gz CKRVNQKMSQIEDQ-FVQBIDKESA-N 0 1 284.407 3.579 20 0 CHADMN COc1ccc(CN(Cc2ccccc2)C2CC2)c(OC)c1 ZINC000506339461 1122722179 /nfs/dbraw/zinc/72/21/79/1122722179.db2.gz KBWHLROTNSSYEZ-UHFFFAOYSA-N 0 1 297.398 3.868 20 0 CHADMN CCOc1cccc(Cl)c1CN1CCC[C@H](C)C1 ZINC001193888567 1122723778 /nfs/dbraw/zinc/72/37/78/1122723778.db2.gz FCXYWAICTZPKRC-LBPRGKRZSA-N 0 1 267.800 3.971 20 0 CHADMN CN(CC[C@H]1CCCC1(F)F)Cc1cc(C(C)(C)C)n[nH]1 ZINC001193870057 1122726378 /nfs/dbraw/zinc/72/63/78/1122726378.db2.gz DGKDLMPSAWLSSF-GFCCVEGCSA-N 0 1 299.409 3.965 20 0 CHADMN C[C@@H](CN1CC(C)C1)c1cccc(Br)c1 ZINC000438863580 1122737330 /nfs/dbraw/zinc/73/73/30/1122737330.db2.gz ZTFAYOOJCHBAPO-NSHDSACASA-N 0 1 268.198 3.504 20 0 CHADMN FCC1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000295071398 1122742201 /nfs/dbraw/zinc/74/22/01/1122742201.db2.gz PFQIEJUOJYMMET-UHFFFAOYSA-N 0 1 291.288 3.609 20 0 CHADMN CCSc1ccccc1CN1CC(C)(C)OC[C@@H]1C ZINC001194082946 1122746441 /nfs/dbraw/zinc/74/64/41/1122746441.db2.gz NNYFDBJXYJVNSW-ZDUSSCGKSA-N 0 1 279.449 3.798 20 0 CHADMN C[C@H]1CC(CCN2CCOC[C@@H]2CC(F)F)C[C@H](C)C1 ZINC001194115972 1122747472 /nfs/dbraw/zinc/74/74/72/1122747472.db2.gz IYANEBPRXXGRPX-NFAWXSAZSA-N 0 1 289.410 3.805 20 0 CHADMN Fc1ccc(Cc2nc3c([nH]2)c(F)c(F)cc3F)cc1 ZINC001250554465 1122748840 /nfs/dbraw/zinc/74/88/40/1122748840.db2.gz XOSAKCPTLXEBKH-UHFFFAOYSA-N 0 1 280.224 3.710 20 0 CHADMN CC[N@@H+](CC(C)C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000153759195 1129076457 /nfs/dbraw/zinc/07/64/57/1129076457.db2.gz BGSOCZXVZPHDFT-LLVKDONJSA-N 0 1 279.409 3.837 20 0 CHADMN Cc1ccoc1CN[C@@H]1CCCOc2ccc(C)cc21 ZINC000426333104 1122765193 /nfs/dbraw/zinc/76/51/93/1122765193.db2.gz GJLQFGXDSWEMAX-OAHLLOKOSA-N 0 1 271.360 3.900 20 0 CHADMN CC(C)(C)COC(=O)Nc1cnccc1N1CCCCC1 ZINC001194362599 1122767101 /nfs/dbraw/zinc/76/71/01/1122767101.db2.gz NRJSLJCPXWMOEJ-UHFFFAOYSA-N 0 1 291.395 3.667 20 0 CHADMN CCc1nc(C)c(CN[C@H]2c3cc(F)ccc3C[C@@H]2C)o1 ZINC000426339211 1122767838 /nfs/dbraw/zinc/76/78/38/1122767838.db2.gz KAPGAFWFMMRKKE-DYZYQPBXSA-N 0 1 288.366 3.708 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2N[C@H](C)c1cn2ccccc2n1 ZINC000518562295 1122768818 /nfs/dbraw/zinc/76/88/18/1122768818.db2.gz FEZFJGWHXUANIJ-RHSMWYFYSA-N 0 1 291.398 3.981 20 0 CHADMN CC(C)(C)OC(=O)C1(CCN2CCC[C@@](C)(F)C2)CCC1 ZINC001194598482 1122785719 /nfs/dbraw/zinc/78/57/19/1122785719.db2.gz ASPNGPGCWIGKPF-MRXNPFEDSA-N 0 1 299.430 3.713 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2nc(CCC)cs2)CC1 ZINC000426408619 1122786469 /nfs/dbraw/zinc/78/64/69/1122786469.db2.gz DSRNXVFQNYTYGU-OAHLLOKOSA-N 0 1 296.480 3.877 20 0 CHADMN Fc1ccc(Br)cc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000426462167 1122799826 /nfs/dbraw/zinc/79/98/26/1122799826.db2.gz UUNSQODBZAXYIF-HZMBPMFUSA-N 0 1 298.199 3.963 20 0 CHADMN O[C@@H](CN1CCC[C@H]1c1ccc[nH]1)c1ccccc1Cl ZINC000298769608 1122822347 /nfs/dbraw/zinc/82/23/47/1122822347.db2.gz NPDMXKQDRWXWHS-HOTGVXAUSA-N 0 1 290.794 3.539 20 0 CHADMN O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccc(O)c(Cl)c1 ZINC000440139816 1122826213 /nfs/dbraw/zinc/82/62/13/1122826213.db2.gz UIZRVXVMPCKSEF-NQBHXWOUSA-N 0 1 293.794 3.744 20 0 CHADMN Cc1cccc2c1[C@H](NCc1cc(C(C)C)no1)CC2 ZINC000925066502 1122826769 /nfs/dbraw/zinc/82/67/69/1122826769.db2.gz GJOMNRFIJBBJHO-OAHLLOKOSA-N 0 1 270.376 3.884 20 0 CHADMN COC[C@H](N[C@H](C)c1nc(C(C)(C)C)cs1)C1CC1 ZINC000154057312 1129081920 /nfs/dbraw/zinc/08/19/20/1129081920.db2.gz NDQATTJHFVXLBZ-PWSUYJOCSA-N 0 1 282.453 3.516 20 0 CHADMN Cc1ncoc1CN1CCC(c2cccc(F)c2F)CC1 ZINC000894482878 1122860430 /nfs/dbraw/zinc/86/04/30/1122860430.db2.gz IFHPELHVSVGOFY-UHFFFAOYSA-N 0 1 292.329 3.641 20 0 CHADMN c1nocc1CN1CCC(CCc2ccccc2)CC1 ZINC001205696538 1122863142 /nfs/dbraw/zinc/86/31/42/1122863142.db2.gz ARGMDPVMLBRZAS-UHFFFAOYSA-N 0 1 270.376 3.519 20 0 CHADMN CCC(=O)c1ccc(NC(=O)c2[nH]cnc2C(C)(C)C)cc1 ZINC000633679807 1129082944 /nfs/dbraw/zinc/08/29/44/1129082944.db2.gz JFJQTCQFKBQRKL-UHFFFAOYSA-N 0 1 299.374 3.552 20 0 CHADMN Cc1ncoc1CN[C@H]1CCc2ccc(C(C)C)cc21 ZINC000894504413 1122864105 /nfs/dbraw/zinc/86/41/05/1122864105.db2.gz RFNDTOUEJPAWOV-INIZCTEOSA-N 0 1 270.376 3.884 20 0 CHADMN COC(=O)c1cnc([C@@H](C)NC[C@H](C)CC(C)(C)C)s1 ZINC001195334251 1122865557 /nfs/dbraw/zinc/86/55/57/1122865557.db2.gz NYNTXVITBRWPFS-GHMZBOCLSA-N 0 1 298.452 3.653 20 0 CHADMN FC(F)(F)c1c[nH]c(-c2nc3ccc(Cl)cc3[nH]2)n1 ZINC001250636322 1122867572 /nfs/dbraw/zinc/86/75/72/1122867572.db2.gz CEKPTCPHABBSTB-UHFFFAOYSA-N 0 1 286.644 3.625 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3[C@@H](C)CC[C@@H]3C)n[nH]2)cc1C ZINC000440455710 1122868767 /nfs/dbraw/zinc/86/87/67/1122868767.db2.gz ARAKCNHNGDSXAS-KBPBESRZSA-N 0 1 297.402 3.707 20 0 CHADMN Cc1noc2ncc(CN(C)Cc3cc(C)ccc3C)cc12 ZINC000894562554 1122873448 /nfs/dbraw/zinc/87/34/48/1122873448.db2.gz ROOVQESOQPOSLB-UHFFFAOYSA-N 0 1 295.386 3.780 20 0 CHADMN C=C/C=C\CCN[C@@H](Cc1ccccc1)c1ncco1 ZINC001195557747 1122876131 /nfs/dbraw/zinc/87/61/31/1122876131.db2.gz KLNHHOHSDIADCX-QGZUEGPWSA-N 0 1 268.360 3.680 20 0 CHADMN FC(F)(F)Oc1cccc(C2(NC/C=C/Cl)CC2)c1 ZINC001195589702 1122877020 /nfs/dbraw/zinc/87/70/20/1122877020.db2.gz XXXJGBSZCKQTCW-FARCUNLSSA-N 0 1 291.700 3.916 20 0 CHADMN Cc1nn(C)c(Cl)c1-c1nc2ccc(Cl)c(C)c2[nH]1 ZINC001250672075 1122879636 /nfs/dbraw/zinc/87/96/36/1122879636.db2.gz BUNIDKVBDGFXID-UHFFFAOYSA-N 0 1 295.173 3.887 20 0 CHADMN Clc1cc(Cl)cc(CN2CC[C@H]3OCC[C@H]3C2)c1 ZINC001203811411 1122880365 /nfs/dbraw/zinc/88/03/65/1122880365.db2.gz VXLNKZWPKNJPDB-SMDDNHRTSA-N 0 1 286.202 3.604 20 0 CHADMN CC(C)(C)OCCCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833885 1122881008 /nfs/dbraw/zinc/88/10/08/1122881008.db2.gz OBFDZIPZDXEHID-HNNXBMFYSA-N 0 1 276.424 3.670 20 0 CHADMN CCCCCC[C@](C)(CCC)C(=O)NCc1n[nH]c(C)n1 ZINC000080076573 1122881382 /nfs/dbraw/zinc/88/13/82/1122881382.db2.gz JDUCIWJGCWHVNE-INIZCTEOSA-N 0 1 294.443 3.506 20 0 CHADMN FC(F)(F)c1nc(CNc2cc3c(cn2)CCC3)cs1 ZINC000894641814 1122884980 /nfs/dbraw/zinc/88/49/80/1122884980.db2.gz YKMCSSUFOFLXOF-UHFFFAOYSA-N 0 1 299.321 3.658 20 0 CHADMN Cc1ccoc1CNCc1cccc(OC(C)C)c1 ZINC000266165214 1129084381 /nfs/dbraw/zinc/08/43/81/1129084381.db2.gz AKPVYSCBNSIQPM-UHFFFAOYSA-N 0 1 259.349 3.665 20 0 CHADMN C[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CC2(CCCC2)O1 ZINC001195799028 1122889296 /nfs/dbraw/zinc/88/92/96/1122889296.db2.gz SCWCROVQTSEPIF-DYVFJYSZSA-N 0 1 289.394 3.847 20 0 CHADMN C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)CC2(CCCC2)O1 ZINC001195799028 1122889300 /nfs/dbraw/zinc/88/93/00/1122889300.db2.gz SCWCROVQTSEPIF-DYVFJYSZSA-N 0 1 289.394 3.847 20 0 CHADMN Oc1c(F)c(F)ccc1NC(=S)Nc1ccccc1F ZINC001195781758 1122889353 /nfs/dbraw/zinc/88/93/53/1122889353.db2.gz ITDKSBIKAVJAOT-UHFFFAOYSA-N 0 1 298.289 3.618 20 0 CHADMN Cc1coc(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000894690498 1122893839 /nfs/dbraw/zinc/89/38/39/1122893839.db2.gz MDBBDFDHEDLXLC-NWDGAFQWSA-N 0 1 274.191 3.604 20 0 CHADMN COc1ccc(C[C@@H]2CCCC[N@H+]2C/C=C\Cl)cc1 ZINC001195872885 1122894666 /nfs/dbraw/zinc/89/46/66/1122894666.db2.gz GDLNGZDKPSURFA-HGZZYMOZSA-N 0 1 279.811 3.845 20 0 CHADMN Cc1ccoc1CN[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000266231001 1129085719 /nfs/dbraw/zinc/08/57/19/1129085719.db2.gz UPDZGCAVOGSTLQ-CYBMUJFWSA-N 0 1 287.359 3.600 20 0 CHADMN Cc1nc([C@H](C)NCc2ccc(-c3ccc(C)cc3)o2)n[nH]1 ZINC000894771903 1122903789 /nfs/dbraw/zinc/90/37/89/1122903789.db2.gz ZXQMWFGZXLDEIY-LBPRGKRZSA-N 0 1 296.374 3.532 20 0 CHADMN C[C@H](CCC(C)(C)C)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000506918700 1122912047 /nfs/dbraw/zinc/91/20/47/1122912047.db2.gz TZPUUTPNBACNLT-MRVPVSSYSA-N 0 1 291.317 3.829 20 0 CHADMN CN(CCOc1ccc2ccccc2c1)Cc1ccco1 ZINC000506932325 1122913674 /nfs/dbraw/zinc/91/36/74/1122913674.db2.gz LNVJCHGCPFOIHI-UHFFFAOYSA-N 0 1 281.355 3.944 20 0 CHADMN COC(=O)[C@]1(NC[C@H]2CCC[C@@H](C)C2)CCCC(C)(C)C1 ZINC001196239194 1122914002 /nfs/dbraw/zinc/91/40/02/1122914002.db2.gz YWFAWYGNEIUDTK-VKJFTORMSA-N 0 1 295.467 3.914 20 0 CHADMN C=Cc1ccc(NS(=O)(=O)c2ccc(C)cc2F)cc1 ZINC001196380647 1122919400 /nfs/dbraw/zinc/91/94/00/1122919400.db2.gz WHZVAUPBNFNARO-UHFFFAOYSA-N 0 1 291.347 3.578 20 0 CHADMN CC[C@@H](CN(C)Cc1nccn1C(F)F)c1ccccc1 ZINC000507101304 1122924526 /nfs/dbraw/zinc/92/45/26/1122924526.db2.gz CVIPPQZNMNVQBV-ZDUSSCGKSA-N 0 1 293.361 3.904 20 0 CHADMN Cc1c(CN2CCC[C@H]2c2cccc(Cl)c2)cnn1C ZINC000507115513 1122925407 /nfs/dbraw/zinc/92/54/07/1122925407.db2.gz ITHXCBNCSMTNOD-INIZCTEOSA-N 0 1 289.810 3.719 20 0 CHADMN CN(Cc1cn(-c2ccccc2)nc1C(C)(C)C)C1CC1 ZINC000507115427 1122925474 /nfs/dbraw/zinc/92/54/74/1122925474.db2.gz GTZIIYNKYPOWMI-UHFFFAOYSA-N 0 1 283.419 3.764 20 0 CHADMN Cc1nccc(CN([C@H](C)c2ccccc2)C2CC2)n1 ZINC000507159880 1122931442 /nfs/dbraw/zinc/93/14/42/1122931442.db2.gz JLOUEEOZMPYBIB-CYBMUJFWSA-N 0 1 267.376 3.511 20 0 CHADMN CCCC[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](C)C1CCCCC1 ZINC001196818847 1122935226 /nfs/dbraw/zinc/93/52/26/1122935226.db2.gz OZBCGIDKMQZSHX-ZBFHGGJFSA-N 0 1 283.456 3.866 20 0 CHADMN Cc1ccccc1[C@H]1CCN(Cc2nc(C(C)(C)C)no2)C1 ZINC000507198727 1122936451 /nfs/dbraw/zinc/93/64/51/1122936451.db2.gz ZUZFWEMQULOJPR-AWEZNQCLSA-N 0 1 299.418 3.665 20 0 CHADMN CCc1nocc1CN(Cc1ccco1)C1CCCC1 ZINC000507202527 1122936529 /nfs/dbraw/zinc/93/65/29/1122936529.db2.gz JSRPBWVFRWVECE-UHFFFAOYSA-N 0 1 274.364 3.775 20 0 CHADMN Cc1noc2ncc(CN(C)Cc3cccc(C)c3C)cc12 ZINC000894831574 1122939892 /nfs/dbraw/zinc/93/98/92/1122939892.db2.gz OYWNFKJBLZNQMI-UHFFFAOYSA-N 0 1 295.386 3.780 20 0 CHADMN Cc1noc2ncc(CN3CC4(CCC4)[C@H]3C(C)C)cc12 ZINC000894832696 1122941805 /nfs/dbraw/zinc/94/18/05/1122941805.db2.gz HHUJUSFBLMTDIJ-OAHLLOKOSA-N 0 1 285.391 3.542 20 0 CHADMN CCc1nocc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000507233713 1122942436 /nfs/dbraw/zinc/94/24/36/1122942436.db2.gz VTZLLIANVMJRTR-MRXNPFEDSA-N 0 1 274.339 3.713 20 0 CHADMN Cc1nccc(CN(Cc2cccc(Cl)c2)C(C)C)n1 ZINC000507255134 1122944132 /nfs/dbraw/zinc/94/41/32/1122944132.db2.gz YSCGOTZSPJOHAP-UHFFFAOYSA-N 0 1 289.810 3.849 20 0 CHADMN FC1(F)CC(CN2CCC[C@@](F)(c3ccccc3)C2)C1 ZINC001197075924 1122944293 /nfs/dbraw/zinc/94/42/93/1122944293.db2.gz AKZCMRRQDHNDGY-HNNXBMFYSA-N 0 1 283.337 3.993 20 0 CHADMN FC1(F)CC(CN2CCC[C@](F)(c3ccccc3)C2)C1 ZINC001197075925 1122944478 /nfs/dbraw/zinc/94/44/78/1122944478.db2.gz AKZCMRRQDHNDGY-OAHLLOKOSA-N 0 1 283.337 3.993 20 0 CHADMN COc1ccc2nc(-c3ccc(C(F)(F)F)o3)[nH]c2c1 ZINC001251107090 1122945943 /nfs/dbraw/zinc/94/59/43/1122945943.db2.gz ANJNTNKLLDGZQG-UHFFFAOYSA-N 0 1 282.221 3.850 20 0 CHADMN CC/C=C/CCN1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC001197177444 1122947418 /nfs/dbraw/zinc/94/74/18/1122947418.db2.gz QMUGNTCYNPBROT-PSKZRQQASA-N 0 1 267.413 3.539 20 0 CHADMN C[C@@H]1c2ccc(F)cc2CCN1CCOCC1CCCC1 ZINC001197498170 1122959393 /nfs/dbraw/zinc/95/93/93/1122959393.db2.gz XYKQDVMKIKGXCE-CQSZACIVSA-N 0 1 291.410 3.952 20 0 CHADMN Oc1c(F)c(F)ccc1NC(=S)Nc1cccc(F)c1 ZINC001197644995 1122962697 /nfs/dbraw/zinc/96/26/97/1122962697.db2.gz ITSZGXXBALOGHB-UHFFFAOYSA-N 0 1 298.289 3.618 20 0 CHADMN Cc1ccoc1CN(C)Cc1cccc2c1NCCC2 ZINC000894848259 1122967505 /nfs/dbraw/zinc/96/75/05/1122967505.db2.gz NWOMRGDILARKAE-UHFFFAOYSA-N 0 1 270.376 3.578 20 0 CHADMN CN(CCc1ccc(F)cc1)Cc1cccc(O)c1Cl ZINC000507635164 1122980223 /nfs/dbraw/zinc/98/02/23/1122980223.db2.gz HZLGHXASIHRDKA-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN CC[C@H](F)CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000440519450 1123009683 /nfs/dbraw/zinc/00/96/83/1123009683.db2.gz MIDWWNSFFVUVCB-UWVGGRQHSA-N 0 1 255.299 3.645 20 0 CHADMN CCC[C@H](C[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000519614134 1122981231 /nfs/dbraw/zinc/98/12/31/1122981231.db2.gz XCRNWFSETQZFSO-OIISXLGYSA-N 0 1 289.419 3.613 20 0 CHADMN C[C@H](N[C@H]1CCCOc2c(Cl)cccc21)c1cn[nH]c1 ZINC000334326326 1122987465 /nfs/dbraw/zinc/98/74/65/1122987465.db2.gz LEWNQTKBZBJNBG-HZMBPMFUSA-N 0 1 291.782 3.628 20 0 CHADMN CCCC[C@@H](COC)NCc1cc(-c2ccccc2)on1 ZINC000154812184 1129092350 /nfs/dbraw/zinc/09/23/50/1129092350.db2.gz AXTGGKKNIPPNQZ-HNNXBMFYSA-N 0 1 288.391 3.636 20 0 CHADMN C[C@@H](N[C@H]1CCC(C)(C)c2ccccc21)c1ccc(=O)[nH]n1 ZINC000334406619 1123007470 /nfs/dbraw/zinc/00/74/70/1123007470.db2.gz KCEGYQWAVSUILY-WBMJQRKESA-N 0 1 297.402 3.646 20 0 CHADMN Cn1cncc1C1CCN(Cc2ccc(Cl)s2)CC1 ZINC001198767344 1123010194 /nfs/dbraw/zinc/01/01/94/1123010194.db2.gz AZXJRJLOROXZGN-UHFFFAOYSA-N 0 1 295.839 3.515 20 0 CHADMN CCc1ncc(CN(Cc2ccccc2C)C2CC2)cn1 ZINC000519632329 1123010524 /nfs/dbraw/zinc/01/05/24/1123010524.db2.gz UTVSFYRTUXJONO-UHFFFAOYSA-N 0 1 281.403 3.512 20 0 CHADMN C[C@@H](NCc1cccnc1N(C)C)c1ccc(Cl)cc1 ZINC000154793775 1129093059 /nfs/dbraw/zinc/09/30/59/1129093059.db2.gz DZRWEGZZRGVGBI-GFCCVEGCSA-N 0 1 289.810 3.652 20 0 CHADMN COc1cc2c(cc1CN[C@H](C)c1ccc(C)cc1)OCO2 ZINC001199430987 1123028837 /nfs/dbraw/zinc/02/88/37/1123028837.db2.gz VMZKQBAWYJDWBQ-CYBMUJFWSA-N 0 1 299.370 3.583 20 0 CHADMN CC(C)CCC(=O)CSc1nc(-c2ccccc2)n[nH]1 ZINC000154972146 1129094316 /nfs/dbraw/zinc/09/43/16/1129094316.db2.gz XLAPRPNBGJEKLZ-UHFFFAOYSA-N 0 1 289.404 3.569 20 0 CHADMN CC[C@@H](F)CN1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000440703875 1123031473 /nfs/dbraw/zinc/03/14/73/1123031473.db2.gz JTIBSNHMHGXUIY-IUODEOHRSA-N 0 1 281.371 3.589 20 0 CHADMN COC(=O)CC1(CN(C)[C@@H](C)c2ccccc2Cl)CC1 ZINC000440711544 1123032482 /nfs/dbraw/zinc/03/24/82/1123032482.db2.gz FTBZGUKJPNKVDW-LBPRGKRZSA-N 0 1 295.810 3.676 20 0 CHADMN Clc1nccc2cc(CNCc3ccoc3)sc21 ZINC001199629449 1123034055 /nfs/dbraw/zinc/03/40/55/1123034055.db2.gz GVNXIYACDFLBOT-UHFFFAOYSA-N 0 1 278.764 3.833 20 0 CHADMN CC[C@H](F)CN(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000440717717 1123034287 /nfs/dbraw/zinc/03/42/87/1123034287.db2.gz SUXIAQAAMRZMSO-NSHDSACASA-N 0 1 279.277 3.765 20 0 CHADMN CC[C@H]1[C@@H](C)CCN1Cc1occc1Br ZINC000776002446 1123035370 /nfs/dbraw/zinc/03/53/70/1123035370.db2.gz SPBLDANCLLHVEE-ONGXEEELSA-N 0 1 272.186 3.663 20 0 CHADMN Fc1cccc([C@H]2CC[N@@H+](Cc3cccnc3Cl)C2)c1 ZINC000729481434 1123037501 /nfs/dbraw/zinc/03/75/01/1123037501.db2.gz RIJCLTXOWSJOGW-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN Fc1cccc([C@H]2CCN(Cc3cccnc3Cl)C2)c1 ZINC000729481434 1123037504 /nfs/dbraw/zinc/03/75/04/1123037504.db2.gz RIJCLTXOWSJOGW-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN CCOc1ccccc1[C@H](CC)NC[C@@H](F)CC ZINC000440779111 1123038177 /nfs/dbraw/zinc/03/81/77/1123038177.db2.gz CXKMJGOFPYTBIB-JSGCOSHPSA-N 0 1 253.361 3.874 20 0 CHADMN CCCN(CC)Cc1csc(CCC(C)C)n1 ZINC000519904055 1123039035 /nfs/dbraw/zinc/03/90/35/1123039035.db2.gz PWWMYRPMUYXZKB-UHFFFAOYSA-N 0 1 254.443 3.964 20 0 CHADMN CCOc1ccc(CNCc2cc(C)ccc2F)cc1 ZINC001199750871 1123039684 /nfs/dbraw/zinc/03/96/84/1123039684.db2.gz IOCPWDAIWJQNMO-UHFFFAOYSA-N 0 1 273.351 3.823 20 0 CHADMN Cc1ccc([C@H](C)NCc2cn3cccc(F)c3n2)s1 ZINC001199770204 1123039878 /nfs/dbraw/zinc/03/98/78/1123039878.db2.gz XJSZRSMFFJCUJB-NSHDSACASA-N 0 1 289.379 3.694 20 0 CHADMN C(=C/c1ccccc1)\CNCc1ccn(-c2ccccc2)n1 ZINC001199812526 1123042002 /nfs/dbraw/zinc/04/20/02/1123042002.db2.gz LKVDRKDEXGVAAZ-JXMROGBWSA-N 0 1 289.382 3.675 20 0 CHADMN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1cnn(C)c1 ZINC000155016084 1129095351 /nfs/dbraw/zinc/09/53/51/1129095351.db2.gz JRBFIVGQLNNJIB-NSHDSACASA-N 0 1 297.324 3.632 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccnc2Cl)cc1 ZINC000105420950 1123052084 /nfs/dbraw/zinc/05/20/84/1123052084.db2.gz WWMZGWPNXINDNX-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1cc(F)cc(CN2CCCC[C@@](C)(F)C2)c1 ZINC001143580417 1123063909 /nfs/dbraw/zinc/06/39/09/1123063909.db2.gz JCNLJFVQOPQLQH-OAHLLOKOSA-N 0 1 253.336 3.848 20 0 CHADMN Clc1ccc(CCCN2CCOCC23CCC3)cc1 ZINC000441217140 1123066678 /nfs/dbraw/zinc/06/66/78/1123066678.db2.gz GYGTUKIJJAWIGH-UHFFFAOYSA-N 0 1 279.811 3.528 20 0 CHADMN CCCCCCNC(=S)Nc1ccc(F)c(F)c1O ZINC001200957723 1123069180 /nfs/dbraw/zinc/06/91/80/1123069180.db2.gz XRLLFWGKYNFNIZ-UHFFFAOYSA-N 0 1 288.363 3.537 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000155084924 1129097203 /nfs/dbraw/zinc/09/72/03/1129097203.db2.gz XESGHQPQVXRFHB-ZDUSSCGKSA-N 0 1 287.432 3.827 20 0 CHADMN CSC[C@H](C)N[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000925100023 1123073276 /nfs/dbraw/zinc/07/32/76/1123073276.db2.gz ZURJSIALOJZYBP-YOEHRIQHSA-N 0 1 286.444 3.821 20 0 CHADMN FC(F)CS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000579230188 1123073471 /nfs/dbraw/zinc/07/34/71/1123073471.db2.gz FWFWSMXZJDQNBL-ZDUSSCGKSA-N 0 1 271.376 3.649 20 0 CHADMN CC[C@H]1CCCN(Cc2nnc(-c3ccccc3)s2)C1 ZINC000155084924 1129097208 /nfs/dbraw/zinc/09/72/08/1129097208.db2.gz XESGHQPQVXRFHB-ZDUSSCGKSA-N 0 1 287.432 3.827 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@@H](F)C(F)(F)CC2)c1 ZINC001143580760 1123077395 /nfs/dbraw/zinc/07/73/95/1123077395.db2.gz VJCLPQGWCHNJGV-CYBMUJFWSA-N 0 1 275.289 3.703 20 0 CHADMN CN1Cc2ccc(NCc3cccc4ncccc34)cc2C1 ZINC001201257221 1123083710 /nfs/dbraw/zinc/08/37/10/1123083710.db2.gz NHYYTIFETDAJIP-UHFFFAOYSA-N 0 1 289.382 3.792 20 0 CHADMN CN1Cc2ccc(NCc3ccc4c(c3)CCC4)cc2C1 ZINC001201257119 1123084229 /nfs/dbraw/zinc/08/42/29/1123084229.db2.gz KPGHQDPEWLJTSF-UHFFFAOYSA-N 0 1 278.399 3.733 20 0 CHADMN CC(C)(C)c1ncc(CNC(C)(C)c2cccs2)cn1 ZINC000520418051 1123085679 /nfs/dbraw/zinc/08/56/79/1123085679.db2.gz TVDQEXZHIPPGEW-UHFFFAOYSA-N 0 1 289.448 3.861 20 0 CHADMN Cc1cc(Br)nc(N=C2CCSCC2)c1 ZINC001201332484 1123086453 /nfs/dbraw/zinc/08/64/53/1123086453.db2.gz SITSKHBNHAVIRC-UHFFFAOYSA-N 0 1 285.210 3.585 20 0 CHADMN Fc1cc(N=C2CCSCC2)c(Cl)nc1Cl ZINC001201332464 1123086463 /nfs/dbraw/zinc/08/64/63/1123086463.db2.gz RMTHHUNULDKSMI-UHFFFAOYSA-N 0 1 279.167 3.960 20 0 CHADMN c1cncc(-c2ccnc(N=C3CCSCC3)c2)c1 ZINC001201327225 1123087588 /nfs/dbraw/zinc/08/75/88/1123087588.db2.gz QMKVTSXLUUGTCP-UHFFFAOYSA-N 0 1 269.373 3.576 20 0 CHADMN C[C@H]1C[C@H](NCc2cc3c(cccc3O)s2)c2nccn21 ZINC000894911314 1123088237 /nfs/dbraw/zinc/08/82/37/1123088237.db2.gz GHOADHHCQKFSBV-GWCFXTLKSA-N 0 1 299.399 3.599 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cc3c(cccc3O)s2)c2nccn21 ZINC000894911317 1123088604 /nfs/dbraw/zinc/08/86/04/1123088604.db2.gz GHOADHHCQKFSBV-ZWNOBZJWSA-N 0 1 299.399 3.599 20 0 CHADMN CC(C)[C@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000112670921 1123093464 /nfs/dbraw/zinc/09/34/64/1123093464.db2.gz XEGLRBSMPRVMKY-TZMCWYRMSA-N 0 1 285.391 3.508 20 0 CHADMN COc1cc2c(cc1OC)CN(CC1CCCCC1)C2 ZINC001201406422 1123093592 /nfs/dbraw/zinc/09/35/92/1123093592.db2.gz CRVVZHMXUPESLI-UHFFFAOYSA-N 0 1 275.392 3.600 20 0 CHADMN CO[C@H]1CCC[C@@H](Nc2ccc3cnccc3c2)CC1 ZINC000894968521 1123094154 /nfs/dbraw/zinc/09/41/54/1123094154.db2.gz AKGNTUQZUMPKTG-WBVHZDCISA-N 0 1 270.376 3.994 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H](CC(F)(F)F)C2)o1 ZINC000894974301 1123095695 /nfs/dbraw/zinc/09/56/95/1123095695.db2.gz DMUSMYXWJQYXKW-NSHDSACASA-N 0 1 291.313 3.843 20 0 CHADMN CCCOc1ccc(Cl)cc1Nc1ccncc1 ZINC001201441530 1123104871 /nfs/dbraw/zinc/10/48/71/1123104871.db2.gz MNIQTSTVAXTNFP-UHFFFAOYSA-N 0 1 262.740 3.689 20 0 CHADMN CC(C)[C@@H](N[C@H]1CCC12CCC2)c1nc(C2CC2)no1 ZINC000328640313 1123107977 /nfs/dbraw/zinc/10/79/77/1123107977.db2.gz CLVMRXUQQSDENR-QWHCGFSZSA-N 0 1 275.396 3.566 20 0 CHADMN CC(C)=CCC[C@@H](C)CN(C)Cc1cscn1 ZINC001201497311 1123111763 /nfs/dbraw/zinc/11/17/63/1123111763.db2.gz VIHSUIQNFGCQEX-CYBMUJFWSA-N 0 1 252.427 3.957 20 0 CHADMN CCC(CC)CN(Cc1cccnc1)Cc1cccnc1 ZINC001201531944 1123122270 /nfs/dbraw/zinc/12/22/70/1123122270.db2.gz ZKXPGKBGBRMYIM-UHFFFAOYSA-N 0 1 283.419 3.915 20 0 CHADMN CCCC[C@@H](O)CNCc1c(Cl)cccc1Cl ZINC001252078354 1123122348 /nfs/dbraw/zinc/12/23/48/1123122348.db2.gz OXASGXKKFOZLPJ-SNVBAGLBSA-N 0 1 276.207 3.634 20 0 CHADMN CCCC[C@@H](CC)CN1CCC(F)(F)[C@@H](F)C1 ZINC001201562816 1123124106 /nfs/dbraw/zinc/12/41/06/1123124106.db2.gz GWVIJUGZIPQXRL-NEPJUHHUSA-N 0 1 251.336 3.882 20 0 CHADMN CCCC[C@@H](CC)CN1CCO[C@@H](c2ccccn2)C1 ZINC001201568138 1123125730 /nfs/dbraw/zinc/12/57/30/1123125730.db2.gz OEHBLEKBBXDRTC-NVXWUHKLSA-N 0 1 276.424 3.671 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C[C@@H]2CC[C@@H](C)C2)c1 ZINC000331238254 1123126502 /nfs/dbraw/zinc/12/65/02/1123126502.db2.gz NLRLDQXQJQMIEU-VXGBXAGGSA-N 0 1 289.375 3.750 20 0 CHADMN Clc1ccc2c(n1)CC[N@H+](CCCc1ccccc1)C2 ZINC001201663404 1123137089 /nfs/dbraw/zinc/13/70/89/1123137089.db2.gz HVSWFPIDGDBABD-UHFFFAOYSA-N 0 1 286.806 3.726 20 0 CHADMN Cc1cccc(-c2noc(CN3CCC(C(C)C)CC3)n2)c1 ZINC000441491141 1123151928 /nfs/dbraw/zinc/15/19/28/1123151928.db2.gz XDDSNMDZPSZPIL-UHFFFAOYSA-N 0 1 299.418 3.913 20 0 CHADMN CC1(C)CC[C@@H]2C[C@@H](NCc3cncnc3)c3cccc1c32 ZINC000334353073 1123156529 /nfs/dbraw/zinc/15/65/29/1123156529.db2.gz HYCCVQQLMMLWHX-RHSMWYFYSA-N 0 1 293.414 3.866 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CCC(=O)[C@H](F)CC1 ZINC001201976764 1123159309 /nfs/dbraw/zinc/15/93/09/1123159309.db2.gz PBZMUDPASMYENQ-LSDHHAIUSA-N 0 1 269.404 3.762 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN1CCC(=O)[C@@H](F)CC1 ZINC001201976759 1123159990 /nfs/dbraw/zinc/15/99/90/1123159990.db2.gz PBZMUDPASMYENQ-CABCVRRESA-N 0 1 269.404 3.762 20 0 CHADMN Cc1cccc(-c2noc(CN[C@H]3CCCC3(C)C)n2)c1 ZINC000191301945 1123170331 /nfs/dbraw/zinc/17/03/31/1123170331.db2.gz DAEHLSIJZOFAHQ-AWEZNQCLSA-N 0 1 285.391 3.713 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@@H]1CCS[C@H]1C ZINC000645399818 1123174228 /nfs/dbraw/zinc/17/42/28/1123174228.db2.gz VLJUQQGGQRKFPW-JOYOIKCWSA-N 0 1 292.379 3.688 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H](C)C1)c1nc(C2CCCCC2)no1 ZINC000191578442 1123177108 /nfs/dbraw/zinc/17/71/08/1123177108.db2.gz FSAPTHHQLNGPOX-MBNYWOFBSA-N 0 1 277.412 3.957 20 0 CHADMN Clc1ccc(CNCc2ccc3ncccc3c2)nc1 ZINC000776254497 1123180738 /nfs/dbraw/zinc/18/07/38/1123180738.db2.gz HEWYDLPSXPDNBZ-UHFFFAOYSA-N 0 1 283.762 3.573 20 0 CHADMN Cc1ccc(C(=O)Nc2[nH]nc3c2cccc3Cl)s1 ZINC000154306594 1123184230 /nfs/dbraw/zinc/18/42/30/1123184230.db2.gz PYJQWFDRUPKJIU-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN C[C@@H](N(Cc1nccn1C)Cc1ccccc1)C(C)(C)C ZINC000346033460 1123184328 /nfs/dbraw/zinc/18/43/28/1123184328.db2.gz QCHXRPJXDMUUDO-OAHLLOKOSA-N 0 1 285.435 3.857 20 0 CHADMN C[C@@H](N[C@H](C)C1CCSCC1)c1nc(C(C)(C)C)no1 ZINC000192879813 1123192451 /nfs/dbraw/zinc/19/24/51/1123192451.db2.gz NXDLQMQQGCIMNL-GHMZBOCLSA-N 0 1 297.468 3.549 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)C[C@@H]1CCC=CO1 ZINC000193689781 1129105148 /nfs/dbraw/zinc/10/51/48/1129105148.db2.gz FREIGENSKIMPOB-AAEUAGOBSA-N 0 1 267.319 3.650 20 0 CHADMN CCc1cnc(-c2ccc(CN(C)C)c(F)c2)s1 ZINC000665144411 1123200204 /nfs/dbraw/zinc/20/02/04/1123200204.db2.gz JYIMTVMKOUTHRW-UHFFFAOYSA-N 0 1 264.369 3.573 20 0 CHADMN CCc1cc(OC)ccc1CNc1ccc2c(n1)CCC2 ZINC001202444578 1123208859 /nfs/dbraw/zinc/20/88/59/1123208859.db2.gz IHJKOCMMLHHWJP-UHFFFAOYSA-N 0 1 282.387 3.753 20 0 CHADMN Cc1ccc(NC(=O)Nc2cccc(Cl)c2O)cc1 ZINC001202431562 1123210726 /nfs/dbraw/zinc/21/07/26/1123210726.db2.gz FDXWIGLNEDIUOQ-UHFFFAOYSA-N 0 1 276.723 3.998 20 0 CHADMN Fc1cc(CNc2cccc3[nH]nnc32)ccc1C(F)F ZINC001202467123 1123211939 /nfs/dbraw/zinc/21/19/39/1123211939.db2.gz UOBRKLDHQVYXIW-UHFFFAOYSA-N 0 1 292.264 3.647 20 0 CHADMN CCc1ccc([C@H](Nc2ncnc3[nH]cnc32)C(C)C)cc1 ZINC000097251497 1123212468 /nfs/dbraw/zinc/21/24/68/1123212468.db2.gz SWQVHILFTGCBNQ-CQSZACIVSA-N 0 1 295.390 3.725 20 0 CHADMN CCc1ccc(CN(C)[C@@H](C)c2cccs2)nc1 ZINC000338912055 1123214069 /nfs/dbraw/zinc/21/40/69/1123214069.db2.gz JPNGIANXFLWIEH-LBPRGKRZSA-N 0 1 260.406 3.899 20 0 CHADMN CCc1ccc(CN(C)[C@H](C)c2cccs2)nc1 ZINC000338912054 1123214114 /nfs/dbraw/zinc/21/41/14/1123214114.db2.gz JPNGIANXFLWIEH-GFCCVEGCSA-N 0 1 260.406 3.899 20 0 CHADMN COC1(CCN(Cc2ccc(F)cc2F)C2CC2)CCC1 ZINC000338914007 1123217037 /nfs/dbraw/zinc/21/70/37/1123217037.db2.gz KPLXQDHXQXMNRX-UHFFFAOYSA-N 0 1 295.373 3.888 20 0 CHADMN CCCN(C)CC(=O)Nc1cccc(-c2cccs2)c1 ZINC000520737529 1123218756 /nfs/dbraw/zinc/21/87/56/1123218756.db2.gz DZUIZTMBSLWQIX-UHFFFAOYSA-N 0 1 288.416 3.695 20 0 CHADMN C[C@@H](Sc1c[nH]nn1)c1ccc2ccccc2c1 ZINC000155875080 1129106773 /nfs/dbraw/zinc/10/67/73/1129106773.db2.gz MMPIIDCTIOJNQB-SNVBAGLBSA-N 0 1 255.346 3.811 20 0 CHADMN CCCN(CC(=O)Nc1cccc2ccccc21)C1CC1 ZINC000507847756 1123239522 /nfs/dbraw/zinc/23/95/22/1123239522.db2.gz PCIQLYBVXIHXTB-UHFFFAOYSA-N 0 1 282.387 3.653 20 0 CHADMN CC[N@H+](Cc1cccc([O-])c1Cl)[C@H](C)C(C)C ZINC000507833618 1123239538 /nfs/dbraw/zinc/23/95/38/1123239538.db2.gz KRDICJLZRFYVPV-LLVKDONJSA-N 0 1 255.789 3.912 20 0 CHADMN CC[N@@H+](Cc1cccc([O-])c1Cl)[C@H](C)C(C)C ZINC000507833618 1123239541 /nfs/dbraw/zinc/23/95/41/1123239541.db2.gz KRDICJLZRFYVPV-LLVKDONJSA-N 0 1 255.789 3.912 20 0 CHADMN CC(C)(O)[C@@H]1CCCN1Cc1c(Cl)cccc1Cl ZINC000507896106 1123246564 /nfs/dbraw/zinc/24/65/64/1123246564.db2.gz NKVUYDMTQACREK-ZDUSSCGKSA-N 0 1 288.218 3.729 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H](C)c2cnc(C)cn2)cc1 ZINC000427826813 1123252699 /nfs/dbraw/zinc/25/26/99/1123252699.db2.gz OXYZFFGBARUETD-ZIAGYGMSSA-N 0 1 269.392 3.759 20 0 CHADMN CCCN(CCC)c1ccc(NCc2nc(C)c[nH]2)cc1 ZINC000850338620 1123254128 /nfs/dbraw/zinc/25/41/28/1123254128.db2.gz JRJICXIDNBNNNN-UHFFFAOYSA-N 0 1 286.423 3.957 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@H](C)c2cnc(C)cn2)c1 ZINC000427834687 1123254779 /nfs/dbraw/zinc/25/47/79/1123254779.db2.gz YIVDHIFVJNVBAO-HUUCEWRRSA-N 0 1 269.392 3.814 20 0 CHADMN COc1ccc(-c2nc(CN[C@@H]3C=CCC3)cs2)cc1 ZINC000850358266 1123255500 /nfs/dbraw/zinc/25/55/00/1123255500.db2.gz MLUUJLZSJXPIPW-CYBMUJFWSA-N 0 1 286.400 3.627 20 0 CHADMN Cc1nn(-c2ccccc2)c(Cl)c1CN[C@H]1C=CCC1 ZINC000850358717 1123256577 /nfs/dbraw/zinc/25/65/77/1123256577.db2.gz VEATYSGBNMQTRS-ZDUSSCGKSA-N 0 1 287.794 3.642 20 0 CHADMN c1cc(Oc2ccccc2)oc1CN[C@H]1COC2(CCC2)C1 ZINC000850370043 1123258021 /nfs/dbraw/zinc/25/80/21/1123258021.db2.gz LLQLDOFLYAIKIA-CQSZACIVSA-N 0 1 299.370 3.873 20 0 CHADMN O[C@H]1C[C@@H](NCc2ccc(Cl)s2)c2ccccc21 ZINC000850372206 1123259492 /nfs/dbraw/zinc/25/94/92/1123259492.db2.gz RELZDMMBKYOKOZ-OLZOCXBDSA-N 0 1 279.792 3.670 20 0 CHADMN O[C@H]1C[C@H](NCc2cc(F)cc(Cl)c2)c2ccccc21 ZINC000850376630 1123260380 /nfs/dbraw/zinc/26/03/80/1123260380.db2.gz ZIOTWOGRYCHAKU-HOTGVXAUSA-N 0 1 291.753 3.747 20 0 CHADMN CSc1cccc(S(=O)(=O)Nc2cscc2C)c1 ZINC000334571570 1123260683 /nfs/dbraw/zinc/26/06/83/1123260683.db2.gz GZMGCQQOXRRBLO-UHFFFAOYSA-N 0 1 299.442 3.579 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc2cnccc2o1)c1ccncc1 ZINC000850419927 1123264573 /nfs/dbraw/zinc/26/45/73/1123264573.db2.gz GPZLZIPXHGUKGN-NEPJUHHUSA-N 0 1 267.332 3.635 20 0 CHADMN Cc1occc1CN[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850428113 1123266323 /nfs/dbraw/zinc/26/63/23/1123266323.db2.gz CCAXVMOQNFOSHP-LBPRGKRZSA-N 0 1 271.360 3.764 20 0 CHADMN C[C@@H](NC1(C(=O)Nc2ccccc2)CC1)c1cccc(F)c1 ZINC000427985445 1123267092 /nfs/dbraw/zinc/26/70/92/1123267092.db2.gz QTVAKGREXZEYMC-CYBMUJFWSA-N 0 1 298.361 3.648 20 0 CHADMN c1nc(N[C@@H]2CCCSCC2)cc2c1CCCC2 ZINC000850470901 1123271814 /nfs/dbraw/zinc/27/18/14/1123271814.db2.gz KXXMAVNNXCZBRC-CQSZACIVSA-N 0 1 262.422 3.658 20 0 CHADMN CC[C@@H](COCC1CC1)N[C@H](C)c1cccnc1Cl ZINC000850494564 1123274900 /nfs/dbraw/zinc/27/49/00/1123274900.db2.gz PQFIJEKDYRSTEJ-YPMHNXCESA-N 0 1 282.815 3.591 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1cc2cnccc2o1 ZINC000850525568 1123281376 /nfs/dbraw/zinc/28/13/76/1123281376.db2.gz KLVQGAIJMHKJJX-KNXALSJPSA-N 0 1 294.354 3.657 20 0 CHADMN Cc1nc(CN(C)[C@H](c2ccccc2Cl)C(C)C)n[nH]1 ZINC000428211911 1123282304 /nfs/dbraw/zinc/28/23/04/1123282304.db2.gz MCYXALPLFOWBII-HNNXBMFYSA-N 0 1 292.814 3.596 20 0 CHADMN Cc1c([C@H](C)N[C@@H]2C[C@@H](O)c3ccccc32)cnn1C(C)C ZINC000850527939 1123283120 /nfs/dbraw/zinc/28/31/20/1123283120.db2.gz IFZZXABJEJEUST-JBBXEZCESA-N 0 1 299.418 3.601 20 0 CHADMN O[C@@H]1C[C@H](N[C@@H]2CCc3c2cccc3F)c2ccccc21 ZINC000850529791 1123283943 /nfs/dbraw/zinc/28/39/43/1123283943.db2.gz TXYNNMWXGFIXMP-FGTMMUONSA-N 0 1 283.346 3.581 20 0 CHADMN O[C@@H]1C[C@@H](N[C@@H]2CCc3c2cccc3F)c2ccccc21 ZINC000850529792 1123283971 /nfs/dbraw/zinc/28/39/71/1123283971.db2.gz TXYNNMWXGFIXMP-KZNAEPCWSA-N 0 1 283.346 3.581 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1ccc(F)cc1 ZINC000850530163 1123284804 /nfs/dbraw/zinc/28/48/04/1123284804.db2.gz WJPKORBVRPDZLZ-YMRXKLBXSA-N 0 1 271.335 3.655 20 0 CHADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCc1ccc2ccccc2c1 ZINC000520811439 1123285488 /nfs/dbraw/zinc/28/54/88/1123285488.db2.gz JNCAZRSAJOVMRO-RDTXWAMCSA-N 0 1 297.398 3.567 20 0 CHADMN CC(C)Cc1ccc([C@H](C)[C@H](C)NCc2ncccn2)cc1 ZINC000850550595 1123289397 /nfs/dbraw/zinc/28/93/97/1123289397.db2.gz AEIVPTFXORUECM-CVEARBPZSA-N 0 1 297.446 3.957 20 0 CHADMN C[C@@H](O)[C@@H](N[C@@H](C)c1ccnc(Cl)c1)c1ccccc1 ZINC000850583968 1123296547 /nfs/dbraw/zinc/29/65/47/1123296547.db2.gz PAGOWHUZCGRCBZ-HWWQOWPSSA-N 0 1 290.794 3.508 20 0 CHADMN Cc1ccc(C(=O)Nc2cc(Cl)c(O)cc2F)s1 ZINC000335118025 1123303542 /nfs/dbraw/zinc/30/35/42/1123303542.db2.gz MWWPCNYOZUGAJS-UHFFFAOYSA-N 0 1 285.727 3.807 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2)C[C@@H]1n1ccnc1 ZINC000156486454 1129113348 /nfs/dbraw/zinc/11/33/48/1129113348.db2.gz QOXUSAWAKSGGEN-CJNGLKHVSA-N 0 1 289.810 3.620 20 0 CHADMN Cc1cnc([C@@H](C)NC[C@@H]2CCC3(CCCCC3)O2)s1 ZINC000191021387 1123321587 /nfs/dbraw/zinc/32/15/87/1123321587.db2.gz ONTQZEJBCZRXPN-KGLIPLIRSA-N 0 1 294.464 3.984 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@H](C2CCC2)C1 ZINC000665288065 1123326209 /nfs/dbraw/zinc/32/62/09/1123326209.db2.gz BVAFFDHPIIMVOV-OCCSQVGLSA-N 0 1 297.402 3.518 20 0 CHADMN Cc1ccnc([C@H]2CCN(Cc3nc(C4CC4)cs3)C2)c1 ZINC000521456559 1123329554 /nfs/dbraw/zinc/32/95/54/1123329554.db2.gz BJCZXGIOBHJSPM-AWEZNQCLSA-N 0 1 299.443 3.713 20 0 CHADMN FC(F)(F)c1cc(CN2CCC[C@@H]2C2CCCC2)[nH]n1 ZINC000442799371 1123340449 /nfs/dbraw/zinc/34/04/49/1123340449.db2.gz HXSAURHYJFJQMC-GFCCVEGCSA-N 0 1 287.329 3.583 20 0 CHADMN CC1(C)CN([C@@H]2CCc3ccc(F)cc32)CC(C)(C)O1 ZINC000442872700 1123344641 /nfs/dbraw/zinc/34/46/41/1123344641.db2.gz ITFGJASSRQNWJZ-OAHLLOKOSA-N 0 1 277.383 3.702 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2cnc(C)nc2)cc1 ZINC000338935296 1123347363 /nfs/dbraw/zinc/34/73/63/1123347363.db2.gz XKLXEHMSASNQBG-SFHVURJKSA-N 0 1 297.402 3.521 20 0 CHADMN O=C(Nc1ccc2ccoc2c1)c1cccc2cn[nH]c21 ZINC000442927024 1123349429 /nfs/dbraw/zinc/34/94/29/1123349429.db2.gz YNTVHXTZSNETKT-UHFFFAOYSA-N 0 1 277.283 3.561 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000442922818 1123349465 /nfs/dbraw/zinc/34/94/65/1123349465.db2.gz LCLXJAIPHDLFEK-GFCCVEGCSA-N 0 1 277.412 3.540 20 0 CHADMN CCc1ccccc1CC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000443116204 1123357945 /nfs/dbraw/zinc/35/79/45/1123357945.db2.gz KAAOPAWZVSBBOR-UHFFFAOYSA-N 0 1 293.370 3.615 20 0 CHADMN c1nc(-c2ccccn2)sc1C[N@H+]1CCCC2(CC2)C1 ZINC000335339885 1123358412 /nfs/dbraw/zinc/35/84/12/1123358412.db2.gz NRBKHBDXKZBQNF-UHFFFAOYSA-N 0 1 285.416 3.581 20 0 CHADMN CCC(F)(F)COC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000851491493 1123362893 /nfs/dbraw/zinc/36/28/93/1123362893.db2.gz UEVSVQWTWRVECP-UHFFFAOYSA-N 0 1 294.301 3.587 20 0 CHADMN Cc1cc(C)cc(-c2noc(CN3[C@H](C)CC[C@H]3C)n2)c1 ZINC000443208917 1123364234 /nfs/dbraw/zinc/36/42/34/1123364234.db2.gz CYEQCTUXFMZICN-ZIAGYGMSSA-N 0 1 285.391 3.726 20 0 CHADMN Fc1cccc(CN2CCC(Cc3ccccc3)CC2)n1 ZINC000851715278 1123374093 /nfs/dbraw/zinc/37/40/93/1123374093.db2.gz ZPIYIIAQAAVSSD-UHFFFAOYSA-N 0 1 284.378 3.675 20 0 CHADMN Fc1cccc(CN2CCC[C@H]2c2ccccc2)n1 ZINC000851710411 1123374126 /nfs/dbraw/zinc/37/41/26/1123374126.db2.gz LRRLVAUBNTYBIW-HNNXBMFYSA-N 0 1 256.324 3.558 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)CCOC(F)F ZINC000851730747 1123375368 /nfs/dbraw/zinc/37/53/68/1123375368.db2.gz RMXQIYKNUKMOFN-VIFPVBQESA-N 0 1 263.715 3.572 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cccc(F)n2)cc1 ZINC000851727306 1123375782 /nfs/dbraw/zinc/37/57/82/1123375782.db2.gz JKHFWEPGGSTWEI-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN CC(C)N(Cc1cccc(F)c1)Cc1cccc(F)n1 ZINC000851734329 1123375867 /nfs/dbraw/zinc/37/58/67/1123375867.db2.gz FJQKACBVCKZXRC-UHFFFAOYSA-N 0 1 276.330 3.770 20 0 CHADMN C[C@]1(NCc2cccc(F)n2)CCCc2ccccc21 ZINC000851841723 1123384117 /nfs/dbraw/zinc/38/41/17/1123384117.db2.gz XLDNKKVBHNPCPD-KRWDZBQOSA-N 0 1 270.351 3.562 20 0 CHADMN CCO[C@H](C)c1noc(CN2CCC[C@H]2C(C)(C)CC)n1 ZINC000156840372 1129118248 /nfs/dbraw/zinc/11/82/48/1129118248.db2.gz RKKDNLPOKTWBAC-OLZOCXBDSA-N 0 1 295.427 3.568 20 0 CHADMN Clc1csc(CN[C@@H]2COCc3ccccc32)c1 ZINC000335637588 1123386544 /nfs/dbraw/zinc/38/65/44/1123386544.db2.gz PXYVGQSPWUIZSS-CQSZACIVSA-N 0 1 279.792 3.763 20 0 CHADMN Cc1ccc(CN2CC3(CCCC3)OC(C)(C)C2)c(C)n1 ZINC000443344998 1123387293 /nfs/dbraw/zinc/38/72/93/1123387293.db2.gz MIGUZBPVMGQKJX-UHFFFAOYSA-N 0 1 288.435 3.622 20 0 CHADMN Fc1cccc(CN2CCC[C@H]2/C=C/c2ccccc2)n1 ZINC000851911754 1123389329 /nfs/dbraw/zinc/38/93/29/1123389329.db2.gz DNBHYGOVXRUCNX-FLVLSHQESA-N 0 1 282.362 3.899 20 0 CHADMN CC[C@H]1CCC[N@H+]1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000522080944 1123390058 /nfs/dbraw/zinc/39/00/58/1123390058.db2.gz GMDGPKLPJOWJNQ-AWEZNQCLSA-N 0 1 274.339 3.855 20 0 CHADMN Cc1cc(CN(C)[C@H](c2ccccc2)C(C)C)nn1C ZINC000487427091 1123391818 /nfs/dbraw/zinc/39/18/18/1123391818.db2.gz JASIQDCYHTXWSP-KRWDZBQOSA-N 0 1 271.408 3.558 20 0 CHADMN CC1(c2cc(=O)n(Cc3ccc(C(F)(F)F)cc3)[nH]2)CC1 ZINC000634590833 1129118825 /nfs/dbraw/zinc/11/88/25/1129118825.db2.gz LJKSNLAYUZHTJO-UHFFFAOYSA-N 0 1 296.292 3.594 20 0 CHADMN Clc1cccc(CN2CCC[C@H](c3ccccn3)C2)n1 ZINC000852087291 1123396005 /nfs/dbraw/zinc/39/60/05/1123396005.db2.gz HOJRINMNRLKCCE-ZDUSSCGKSA-N 0 1 287.794 3.510 20 0 CHADMN O=C1CC[C@@H](CN2CCCC[C@H]2c2ccc(Cl)cc2)O1 ZINC000852140346 1123398679 /nfs/dbraw/zinc/39/86/79/1123398679.db2.gz KCHZZTRROWWHME-GJZGRUSLSA-N 0 1 293.794 3.573 20 0 CHADMN C[C@@H](CSc1ccccc1)N(C)Cc1cccc(F)n1 ZINC000852208317 1123400833 /nfs/dbraw/zinc/40/08/33/1123400833.db2.gz DRDMRSYWLKONKS-ZDUSSCGKSA-N 0 1 290.407 3.833 20 0 CHADMN COc1c(C)cccc1CNCc1cccc2c1NCCC2 ZINC000895188948 1123401774 /nfs/dbraw/zinc/40/17/74/1123401774.db2.gz TXANMLOMXBWZME-UHFFFAOYSA-N 0 1 296.414 3.652 20 0 CHADMN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1cccc(C2CCCC2)c1 ZINC000665331111 1123402515 /nfs/dbraw/zinc/40/25/15/1123402515.db2.gz MWQXDBYTMDWXHK-KRWDZBQOSA-N 0 1 287.403 3.783 20 0 CHADMN C[C@H]1c2ccccc2C[C@H]1NC/C(Cl)=C\Cl ZINC000852467963 1123405151 /nfs/dbraw/zinc/40/51/51/1123405151.db2.gz JBOURLWULBNIRU-WJZZQPEJSA-N 0 1 256.176 3.623 20 0 CHADMN CCOC(CN1CC2(CCCC2)[C@H]1c1ccco1)OCC ZINC000852427294 1123405791 /nfs/dbraw/zinc/40/57/91/1123405791.db2.gz VSWLEYDOWXULKA-MRXNPFEDSA-N 0 1 293.407 3.596 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)o1 ZINC000852596552 1123410368 /nfs/dbraw/zinc/41/03/68/1123410368.db2.gz MKNPARFTJFMTMT-CABCVRRESA-N 0 1 292.423 3.579 20 0 CHADMN CC(C)c1cnc(CN[C@H](C)C2CCC(F)CC2)o1 ZINC000852650694 1123410941 /nfs/dbraw/zinc/41/09/41/1123410941.db2.gz OJXSXIJLMPIABL-PNESKVBLSA-N 0 1 268.376 3.804 20 0 CHADMN Cc1cccc(C2(N[C@@H](c3nccn3C)C3CC3)CCC2)c1 ZINC000639283557 1123415367 /nfs/dbraw/zinc/41/53/67/1123415367.db2.gz LJVPWGIJBGZZBQ-QGZVFWFLSA-N 0 1 295.430 3.849 20 0 CHADMN CCC1(CC)[C@H](NCc2nc3ccccc3o2)C[C@@H]1OC ZINC000191360695 1123424167 /nfs/dbraw/zinc/42/41/67/1123424167.db2.gz RYLIQFNUAAEUIQ-CABCVRRESA-N 0 1 288.391 3.511 20 0 CHADMN Cc1ccnc(N[C@H]2CCc3cccnc32)c1C1CC1 ZINC000895251446 1123427508 /nfs/dbraw/zinc/42/75/08/1123427508.db2.gz KTRZKGAHOHIQHK-AWEZNQCLSA-N 0 1 265.360 3.762 20 0 CHADMN Cc1ccc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)cc1Cl ZINC000665351131 1123432554 /nfs/dbraw/zinc/43/25/54/1123432554.db2.gz RKNYDQMAGOBFKY-UHFFFAOYSA-N 0 1 283.799 3.581 20 0 CHADMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccc(C2CCC2)cc1 ZINC000665351024 1123433914 /nfs/dbraw/zinc/43/39/14/1123433914.db2.gz NNBOOPOAUFFKPK-UHFFFAOYSA-N 0 1 289.419 3.887 20 0 CHADMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cc2ccccc2s1 ZINC000665350366 1123433949 /nfs/dbraw/zinc/43/39/49/1123433949.db2.gz OTGZAMOSBUIVBP-UHFFFAOYSA-N 0 1 291.416 3.834 20 0 CHADMN CC[C@H]1CCCN1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000443613984 1123444546 /nfs/dbraw/zinc/44/45/46/1123444546.db2.gz JVSBKLKLPPBVOE-ZDUSSCGKSA-N 0 1 291.345 3.525 20 0 CHADMN CC1=NO[C@@H](CN[C@H](C)c2ccc(-c3ccccc3)cn2)C1 ZINC000895301112 1123447507 /nfs/dbraw/zinc/44/75/07/1123447507.db2.gz ZIAFAUYBKAPNBN-RHSMWYFYSA-N 0 1 295.386 3.564 20 0 CHADMN CO[C@@H]1CCN([C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000443629217 1123450650 /nfs/dbraw/zinc/45/06/50/1123450650.db2.gz NUUQZMZZSRUGCR-YGRLFVJLSA-N 0 1 286.202 3.701 20 0 CHADMN Cc1ccccc1-c1nc(CN2CC[C@@H](C)C[C@H](C)C2)no1 ZINC000443639767 1123455454 /nfs/dbraw/zinc/45/54/54/1123455454.db2.gz LOBUKBWLZFXIGB-KGLIPLIRSA-N 0 1 299.418 3.913 20 0 CHADMN Fc1cccc(/C=C\CN2CCC(c3ccon3)CC2)c1 ZINC000895336945 1123459986 /nfs/dbraw/zinc/45/99/86/1123459986.db2.gz ZAWGPLZPQHSATQ-RQOWECAXSA-N 0 1 286.350 3.707 20 0 CHADMN Cc1cc(-c2noc([C@@H]3C[C@H](C)CCN3)n2)ccc1Cl ZINC001211880316 1123465374 /nfs/dbraw/zinc/46/53/74/1123465374.db2.gz DRRMDLZJTURASN-RNCFNFMXSA-N 0 1 291.782 3.759 20 0 CHADMN C[C@@H]1CCN[C@H](c2nc(-c3cccc(F)c3Cl)no2)C1 ZINC001211880343 1123465806 /nfs/dbraw/zinc/46/58/06/1123465806.db2.gz GLYXREOCYHAUOD-KCJUWKMLSA-N 0 1 295.745 3.590 20 0 CHADMN CC(C)(C)SCCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000854040448 1123467624 /nfs/dbraw/zinc/46/76/24/1123467624.db2.gz VKSJJALYNYJZAB-AWEZNQCLSA-N 0 1 278.465 3.996 20 0 CHADMN Cc1ccc(OCCN2CC(C)(C)[C@H]2c2ccncc2)cc1 ZINC000854043985 1123467951 /nfs/dbraw/zinc/46/79/51/1123467951.db2.gz VITJHTXMJDICPB-GOSISDBHSA-N 0 1 296.414 3.852 20 0 CHADMN CC(C)Cc1ccc(CN[C@H]2C[C@@H](O)c3ccccc32)cn1 ZINC000895369345 1123470699 /nfs/dbraw/zinc/47/06/99/1123470699.db2.gz QDDGMNAVZHFGLL-RBUKOAKNSA-N 0 1 296.414 3.548 20 0 CHADMN Cc1cc(CN(C)C[C@H](c2ccccc2)C(C)C)no1 ZINC000474151341 1123470958 /nfs/dbraw/zinc/47/09/58/1123470958.db2.gz FNRNTYXIZVLPEZ-KRWDZBQOSA-N 0 1 272.392 3.855 20 0 CHADMN CC[C@@H](C)Oc1ccc(-c2noc([C@H](CC)NC)n2)cc1 ZINC000854141611 1123470933 /nfs/dbraw/zinc/47/09/33/1123470933.db2.gz IDCDNGPYRRRVJO-RISCZKNCSA-N 0 1 289.379 3.584 20 0 CHADMN CC[C@H](NC)c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000854154018 1123471071 /nfs/dbraw/zinc/47/10/71/1123471071.db2.gz BYAPIRWVGYKGMN-ZDUSSCGKSA-N 0 1 273.380 3.705 20 0 CHADMN CCC1(C(=O)Nc2cccc(-c3cn[nH]n3)c2)CCCCC1 ZINC000443685971 1123471514 /nfs/dbraw/zinc/47/15/14/1123471514.db2.gz WNUMRPFAPUDLNJ-UHFFFAOYSA-N 0 1 298.390 3.771 20 0 CHADMN Cc1cnc(Cl)c(CN2CCC[C@@H](CCF)C2)c1 ZINC000895382500 1123472127 /nfs/dbraw/zinc/47/21/27/1123472127.db2.gz HIWOLYNEIZVBAU-LBPRGKRZSA-N 0 1 270.779 3.615 20 0 CHADMN CN(C)Cc1cc(-c2ccc3c(c2)CC[C@@H]3O)ccc1F ZINC000854197642 1123475594 /nfs/dbraw/zinc/47/55/94/1123475594.db2.gz QHXSDFRNNGFJRP-SFHVURJKSA-N 0 1 285.362 3.534 20 0 CHADMN CC[C@@H](NCc1ocnc1C)c1cc(C)ccc1C ZINC000895404349 1123477923 /nfs/dbraw/zinc/47/79/23/1123477923.db2.gz FBHOLRJYDSIWOD-OAHLLOKOSA-N 0 1 258.365 3.841 20 0 CHADMN CC1(C)C[C@@]1(NCc1cn2ccnc2s1)c1ccccc1 ZINC000895482260 1123485692 /nfs/dbraw/zinc/48/56/92/1123485692.db2.gz SLXQUOWFQZNISU-QGZVFWFLSA-N 0 1 297.427 3.811 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1cc(CO)ccc1F ZINC000528476742 1123488601 /nfs/dbraw/zinc/48/86/01/1123488601.db2.gz ODDNWFRNNUQLMD-GDNBJRDFSA-N 0 1 299.389 3.853 20 0 CHADMN FC(F)SCc1ccc(CN2CCC(F)CC2)o1 ZINC000895549958 1123491403 /nfs/dbraw/zinc/49/14/03/1123491403.db2.gz OMZMLHVMOMQDFB-UHFFFAOYSA-N 0 1 279.327 3.669 20 0 CHADMN O=C(NCc1ccc2nc[nH]c2c1)C1CCCCCCC1 ZINC000854810159 1123494770 /nfs/dbraw/zinc/49/47/70/1123494770.db2.gz NLXXJJULAGRTHH-UHFFFAOYSA-N 0 1 285.391 3.540 20 0 CHADMN CCc1cc(CN2CCC(c3ccc(F)cc3)CC2)on1 ZINC001203218849 1123505365 /nfs/dbraw/zinc/50/53/65/1123505365.db2.gz IYUSZSJEDSPELC-UHFFFAOYSA-N 0 1 288.366 3.756 20 0 CHADMN C[C@@H](NCCc1ccc(C(C)(C)C)cc1)c1ncco1 ZINC000895765644 1123512818 /nfs/dbraw/zinc/51/28/18/1123512818.db2.gz NQBVMFWYLZGHBH-CYBMUJFWSA-N 0 1 272.392 3.865 20 0 CHADMN Cc1n[nH]c(C)c1CN(Cc1ccc(Cl)cc1)C1CC1 ZINC000130111464 1123523618 /nfs/dbraw/zinc/52/36/18/1123523618.db2.gz ONBCGUSPMMCLQA-UHFFFAOYSA-N 0 1 289.810 3.845 20 0 CHADMN CCN(Cc1coc2ccc(F)cc12)Cc1cccnc1 ZINC001141852594 1123527976 /nfs/dbraw/zinc/52/79/76/1123527976.db2.gz KBHPMXXYDVXMOP-UHFFFAOYSA-N 0 1 284.334 3.989 20 0 CHADMN C[C@@H]1C[C@@H]([NH2+][C@@H]2C=CC[CH]2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168035015 1123530091 /nfs/dbraw/zinc/53/00/91/1123530091.db2.gz SDLMBPPOWPOKEG-UKBAYJJMSA-N 0 1 283.439 3.550 20 0 CHADMN C[C@@H]1C[C@@H]([NH2+][C@@H]2C=CC[CH]2)C[C@H](C)N1Cc1ccccc1 ZINC001168035015 1123530094 /nfs/dbraw/zinc/53/00/94/1123530094.db2.gz SDLMBPPOWPOKEG-UKBAYJJMSA-N 0 1 283.439 3.550 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3cccc4cccc2c43)nn1 ZINC000895933104 1123532177 /nfs/dbraw/zinc/53/21/77/1123532177.db2.gz AAFKFQGAEOEVIM-SFHVURJKSA-N 0 1 289.382 3.715 20 0 CHADMN O[C@H]1CCN(Cc2ccc(F)cc2)[C@@H](c2ccccc2)C1 ZINC000639367548 1123542143 /nfs/dbraw/zinc/54/21/43/1123542143.db2.gz SDNBLSBEDWXRMU-ZWKOTPCHSA-N 0 1 285.362 3.524 20 0 CHADMN CC(C)COC1CCN(Cc2cccc(Cl)c2)CC1 ZINC000054321913 1123558130 /nfs/dbraw/zinc/55/81/30/1123558130.db2.gz ZRANEPMRRWVXTF-UHFFFAOYSA-N 0 1 281.827 3.977 20 0 CHADMN Cc1cc(CNCc2ccc(Br)cc2)c(C)o1 ZINC000114505288 1123564477 /nfs/dbraw/zinc/56/44/77/1123564477.db2.gz XMSXMCOCCHENOG-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN C[C@H]1CCC[C@H](CCN(C)Cc2cn3c(n2)CCCC3)C1 ZINC000429536922 1123564693 /nfs/dbraw/zinc/56/46/93/1123564693.db2.gz LLTRDLCJJMJQMX-JKSUJKDBSA-N 0 1 289.467 3.868 20 0 CHADMN CC[C@@H](N[C@@H](CC)c1ccncc1)c1cccc(OC)n1 ZINC000925131637 1123568139 /nfs/dbraw/zinc/56/81/39/1123568139.db2.gz UVSCLYCPARVRBC-LSDHHAIUSA-N 0 1 285.391 3.677 20 0 CHADMN FC(F)(F)c1nc(CNCC[C@@H]2CC[C@@H]3C[C@@H]32)cs1 ZINC000896272089 1123569070 /nfs/dbraw/zinc/56/90/70/1123569070.db2.gz BJAWYKGJFXJTDX-IQJOONFLSA-N 0 1 290.354 3.688 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)N(Cc2cn(C)nc2Cl)C1 ZINC000857045940 1123581539 /nfs/dbraw/zinc/58/15/39/1123581539.db2.gz AZEMHGYNJUHGOT-IUODEOHRSA-N 0 1 289.810 3.657 20 0 CHADMN COc1cccc([C@H](C)N(C)CCC(F)(F)F)c1 ZINC000157664863 1129131052 /nfs/dbraw/zinc/13/10/52/1129131052.db2.gz TWYCBLKTHSJAAZ-JTQLQIEISA-N 0 1 261.287 3.640 20 0 CHADMN CC(C)(C)c1ccc(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC000080991984 1129131246 /nfs/dbraw/zinc/13/12/46/1129131246.db2.gz WQTKUPPRAXYEKZ-MRXNPFEDSA-N 0 1 289.419 3.813 20 0 CHADMN C[C@@H](NCC1CC(C)C1)c1nc(-c2cccc(F)c2)no1 ZINC000857247669 1123593708 /nfs/dbraw/zinc/59/37/08/1123593708.db2.gz ZRVMNIGDAJQJPB-MOENNCHZSA-N 0 1 289.354 3.572 20 0 CHADMN Clc1cscc1CN1CC[C@H](c2cccnc2)C1 ZINC000648052826 1123594820 /nfs/dbraw/zinc/59/48/20/1123594820.db2.gz NBLBDKODSAPOCU-LBPRGKRZSA-N 0 1 278.808 3.786 20 0 CHADMN Cc1ccnc(NCC[C@@H]2OCCc3ccccc32)c1 ZINC000896536165 1123596257 /nfs/dbraw/zinc/59/62/57/1123596257.db2.gz QPQVXOLXCWNLEC-INIZCTEOSA-N 0 1 268.360 3.506 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1cnc(C)s1 ZINC000179382628 1123602223 /nfs/dbraw/zinc/60/22/23/1123602223.db2.gz VUHHFIWCIXOCSC-UKTHLTGXSA-N 0 1 272.417 3.987 20 0 CHADMN CC(C)O[C@@H](CN1CC[C@@](C)(F)C1)c1ccccc1 ZINC000428305645 1123603114 /nfs/dbraw/zinc/60/31/14/1123603114.db2.gz LZDVPDCTMNARJU-JKSUJKDBSA-N 0 1 265.372 3.587 20 0 CHADMN CCc1ccc(N(CC(C)C)C(=O)CN(C)C(C)C)cc1 ZINC000857500639 1123603491 /nfs/dbraw/zinc/60/34/91/1123603491.db2.gz WLEZCCDOXKCDDH-UHFFFAOYSA-N 0 1 290.451 3.578 20 0 CHADMN FCCC1CCN(Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000639380705 1123610650 /nfs/dbraw/zinc/61/06/50/1123610650.db2.gz HDCOBRIUWXFLDM-UHFFFAOYSA-N 0 1 299.393 3.715 20 0 CHADMN CCCN(C)Cc1cc(F)c(Br)cc1F ZINC001141909734 1123617328 /nfs/dbraw/zinc/61/73/28/1123617328.db2.gz DLAOELONZNZXFN-UHFFFAOYSA-N 0 1 278.140 3.569 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1nnc(C(C)(C)C)o1 ZINC000115551799 1123618114 /nfs/dbraw/zinc/61/81/14/1123618114.db2.gz WQBRURADIPRJCC-DZGCQCFKSA-N 0 1 299.418 3.745 20 0 CHADMN CO[C@H](C)c1cccc(N[C@H]2CCCc3cn[nH]c32)c1 ZINC000857862542 1123623304 /nfs/dbraw/zinc/62/33/04/1123623304.db2.gz GBRQLSRQDBLRFY-ABAIWWIYSA-N 0 1 271.364 3.607 20 0 CHADMN CC(C)[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1ccccc1F ZINC000857873557 1123623948 /nfs/dbraw/zinc/62/39/48/1123623948.db2.gz YVRUZZXZQYEWEY-HZPDHXFCSA-N 0 1 287.382 3.913 20 0 CHADMN CN(Cc1cc(Cl)cs1)[C@H]1CCCc2c1cnn2C ZINC000194427833 1129134096 /nfs/dbraw/zinc/13/40/96/1129134096.db2.gz SBNJYJNDTJIEAG-ZDUSSCGKSA-N 0 1 295.839 3.644 20 0 CHADMN c1ccc2c(c1)CC[C@H]2CCN1Cc2ccncc2C1 ZINC000857881943 1123624721 /nfs/dbraw/zinc/62/47/21/1123624721.db2.gz KJXFBPNBVNVLQE-HNNXBMFYSA-N 0 1 264.372 3.517 20 0 CHADMN C[C@@H]1CCCC[C@@H]1c1noc(-c2ccc3cncn3c2)n1 ZINC000329577889 1123625833 /nfs/dbraw/zinc/62/58/33/1123625833.db2.gz KKDSRXXZEPHFLP-RISCZKNCSA-N 0 1 282.347 3.678 20 0 CHADMN CSCc1cc(F)ccc1CN[C@H](C)c1cncs1 ZINC000167114253 1123635187 /nfs/dbraw/zinc/63/51/87/1123635187.db2.gz FQTKICYEDIQXRR-SNVBAGLBSA-N 0 1 296.436 3.996 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H](C)c1ccnn1C ZINC000192249288 1123637239 /nfs/dbraw/zinc/63/72/39/1123637239.db2.gz VAFNMXVEVSQDFN-JSGCOSHPSA-N 0 1 287.407 3.686 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1ccc(Cl)c(F)c1)C(F)(F)F ZINC000777007935 1123637281 /nfs/dbraw/zinc/63/72/81/1123637281.db2.gz NQDVKXHZCCEVOP-CPCISQLKSA-N 0 1 299.695 3.707 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H](C)c1ccnn1C ZINC000192249299 1123637961 /nfs/dbraw/zinc/63/79/61/1123637961.db2.gz VAFNMXVEVSQDFN-OCCSQVGLSA-N 0 1 287.407 3.686 20 0 CHADMN FC(F)(F)c1ccc(CNCc2ccns2)s1 ZINC000858212750 1123638336 /nfs/dbraw/zinc/63/83/36/1123638336.db2.gz RLUMRYAEEOVROY-UHFFFAOYSA-N 0 1 278.324 3.513 20 0 CHADMN FC(F)(F)c1cccc(C2(CNCc3cocn3)CC2)c1 ZINC000192305575 1123638371 /nfs/dbraw/zinc/63/83/71/1123638371.db2.gz FAWAEUUWMBQCEA-UHFFFAOYSA-N 0 1 296.292 3.515 20 0 CHADMN Fc1cccc(CN2CCC[C@]3(CCCOC3)C2)c1Cl ZINC000339011222 1123639263 /nfs/dbraw/zinc/63/92/63/1123639263.db2.gz RAJAWXBEBDKGLH-INIZCTEOSA-N 0 1 297.801 3.872 20 0 CHADMN CO[C@@H](CN[C@H](C)c1cc2ccccc2o1)C(F)(F)F ZINC000777011254 1123640679 /nfs/dbraw/zinc/64/06/79/1123640679.db2.gz MBKXPYSZBMVUSC-RNCFNFMXSA-N 0 1 287.281 3.661 20 0 CHADMN Cc1nc2ccc(CN[C@H](C)c3ccns3)cc2s1 ZINC000858317136 1123644536 /nfs/dbraw/zinc/64/45/36/1123644536.db2.gz RNOJRPWZPINIBG-SECBINFHSA-N 0 1 289.429 3.912 20 0 CHADMN Fc1cnccc1CN[C@@H]1CCc2ccc(Cl)cc21 ZINC000858320893 1123645150 /nfs/dbraw/zinc/64/51/50/1123645150.db2.gz MCJMKOSFBYFMGO-OAHLLOKOSA-N 0 1 276.742 3.651 20 0 CHADMN CN(C)[C@H](CNc1nc(Cl)cs1)c1ccsc1 ZINC000858342945 1123646493 /nfs/dbraw/zinc/64/64/93/1123646493.db2.gz VOMXEDKYSNHBEF-SECBINFHSA-N 0 1 287.841 3.573 20 0 CHADMN CC1(C)CN(Cc2ncc(C3CC3)o2)[C@H]2CCC[C@H]21 ZINC000335909610 1123651330 /nfs/dbraw/zinc/65/13/30/1123651330.db2.gz XUXYHDGNWHPCII-OLZOCXBDSA-N 0 1 260.381 3.563 20 0 CHADMN CC1(C)CN(Cc2ncc(C3CC3)o2)[C@H]2CCC[C@@H]21 ZINC000335909612 1123651701 /nfs/dbraw/zinc/65/17/01/1123651701.db2.gz XUXYHDGNWHPCII-STQMWFEESA-N 0 1 260.381 3.563 20 0 CHADMN CCc1nc(CN2CC3(CC=CC3)[C@H]2C(C)C)cs1 ZINC000648072587 1123652443 /nfs/dbraw/zinc/65/24/43/1123652443.db2.gz JULFACBSHNCUOE-OAHLLOKOSA-N 0 1 276.449 3.882 20 0 CHADMN Cc1nc(C2(NCCC3CCCC3)CCCCC2)no1 ZINC000329741397 1123652557 /nfs/dbraw/zinc/65/25/57/1123652557.db2.gz VXMDVAUGGXYENA-UHFFFAOYSA-N 0 1 277.412 3.707 20 0 CHADMN C[C@@H](Oc1nc2ccc(Cl)cc2[nH]1)c1ccccn1 ZINC001227261461 1123659304 /nfs/dbraw/zinc/65/93/04/1123659304.db2.gz AVRHUEHFOQOFRG-SECBINFHSA-N 0 1 273.723 3.751 20 0 CHADMN C/C=C\CN[C@@H](c1nc(Br)cs1)C1CC1 ZINC000858538981 1123661401 /nfs/dbraw/zinc/66/14/01/1123661401.db2.gz ZWBDAAHUSQGWMJ-MXQLGCADSA-N 0 1 287.226 3.522 20 0 CHADMN Cc1nc2ccc(NC(=O)C[C@H]3CCC[C@@H]3C)cc2[nH]1 ZINC000346093669 1123663356 /nfs/dbraw/zinc/66/33/56/1123663356.db2.gz NSJLATJSVHPZIF-CMPLNLGQSA-N 0 1 271.364 3.636 20 0 CHADMN COc1ccc2c(c1F)CC[C@@H]2N[C@H](C)c1ccns1 ZINC000858575443 1123663801 /nfs/dbraw/zinc/66/38/01/1123663801.db2.gz AKZLWIPKOBRQCN-SKDRFNHKSA-N 0 1 292.379 3.629 20 0 CHADMN Cc1ncsc1CN[C@@H](C)c1ccc2ccccc2n1 ZINC000346115292 1123664731 /nfs/dbraw/zinc/66/47/31/1123664731.db2.gz WPOUWHKSIZWUAN-NSHDSACASA-N 0 1 283.400 3.851 20 0 CHADMN CC[C@H]1CCC[C@@H](CN(C)Cc2nccs2)C1 ZINC000346188133 1123668924 /nfs/dbraw/zinc/66/89/24/1123668924.db2.gz UUVIONQXKUUMHQ-QWHCGFSZSA-N 0 1 252.427 3.791 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@H]1CCCc3ccccc31)CO2 ZINC000346196743 1123671028 /nfs/dbraw/zinc/67/10/28/1123671028.db2.gz PGOZTJROWBKYGU-IRXDYDNUSA-N 0 1 283.346 3.926 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@H]([C@H]3CCOC3)C2)s1 ZINC000346215496 1123671057 /nfs/dbraw/zinc/67/10/57/1123671057.db2.gz KKQQWWIECSBKPW-KBPBESRZSA-N 0 1 294.464 3.515 20 0 CHADMN Fc1cc(CN2CCC[C@H]2c2cccs2)ccn1 ZINC000859053475 1123681359 /nfs/dbraw/zinc/68/13/59/1123681359.db2.gz HTJPOKHPNBLRLY-LBPRGKRZSA-N 0 1 262.353 3.619 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2ccnc(F)c2)cc1 ZINC000859076176 1123682210 /nfs/dbraw/zinc/68/22/10/1123682210.db2.gz FPDJNDIPTTZGSV-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN COc1ccccc1/C=C\CN(C)[C@H](C)c1ccccn1 ZINC000350360992 1123682913 /nfs/dbraw/zinc/68/29/13/1123682913.db2.gz URDQQKLLSHRXQI-WKTRQSJXSA-N 0 1 282.387 3.796 20 0 CHADMN CCCN(Cc1ccc(F)cc1)Cc1ccnc(F)c1 ZINC000859098113 1123684014 /nfs/dbraw/zinc/68/40/14/1123684014.db2.gz AQPKTVMMXYUPLO-UHFFFAOYSA-N 0 1 276.330 3.772 20 0 CHADMN CC(C)n1ccnc1CN[C@@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000348533395 1123686480 /nfs/dbraw/zinc/68/64/80/1123686480.db2.gz SPFBEAASFXRZRY-DEYYWGMASA-N 0 1 299.418 3.507 20 0 CHADMN Cc1nn(C(C)C)cc1CNCc1ccc(C(F)F)cc1 ZINC000281209318 1123688808 /nfs/dbraw/zinc/68/88/08/1123688808.db2.gz CHNCCNDNKGSZRW-UHFFFAOYSA-N 0 1 293.361 4.000 20 0 CHADMN CC[C@@H](NCc1ccc(F)cn1)c1ccc(C)cc1 ZINC000346509615 1123690139 /nfs/dbraw/zinc/69/01/39/1123690139.db2.gz WRNSTHHWRHCIGK-MRXNPFEDSA-N 0 1 258.340 3.770 20 0 CHADMN C[C@H](NCc1ccc(F)cn1)c1ccc2ncsc2c1 ZINC000346540315 1123693240 /nfs/dbraw/zinc/69/32/40/1123693240.db2.gz UYOCGQCGBBVCJL-JTQLQIEISA-N 0 1 287.363 3.681 20 0 CHADMN COc1cc2c(cc1F)CC[C@H]2N[C@@H](C)c1ccccn1 ZINC000281286111 1123694604 /nfs/dbraw/zinc/69/46/04/1123694604.db2.gz QCMGYBRPSSDCBO-MEDUHNTESA-N 0 1 286.350 3.567 20 0 CHADMN COC(C)(C)CCN[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000346576607 1123696518 /nfs/dbraw/zinc/69/65/18/1123696518.db2.gz SKDHFPIPONZDLL-LBPRGKRZSA-N 0 1 295.427 3.583 20 0 CHADMN Clc1cc(CN[C@H](c2ccccn2)C2CCC2)ccn1 ZINC000859563755 1123701475 /nfs/dbraw/zinc/70/14/75/1123701475.db2.gz VCXGFLZKGSOWLM-INIZCTEOSA-N 0 1 287.794 3.761 20 0 CHADMN CC1(C)C[C@@H]1N[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000346652074 1123702062 /nfs/dbraw/zinc/70/20/62/1123702062.db2.gz XVDYOZNLHNUDQI-HOTGVXAUSA-N 0 1 270.351 3.698 20 0 CHADMN Cc1cccc([C@H](N[C@H](C)[C@@H]2CCCO2)c2ccccn2)c1 ZINC000346630292 1123702195 /nfs/dbraw/zinc/70/21/95/1123702195.db2.gz VEAFMHSOLMLRDY-MNEFBYGVSA-N 0 1 296.414 3.637 20 0 CHADMN Cc1cccc([C@H](N[C@H](C)[C@H]2CCCO2)c2ccccn2)c1 ZINC000346630289 1123702307 /nfs/dbraw/zinc/70/23/07/1123702307.db2.gz VEAFMHSOLMLRDY-LZQZEXGQSA-N 0 1 296.414 3.637 20 0 CHADMN CC1(CNc2ccnc3cc(F)ccc32)CCOCC1 ZINC000346695665 1123707852 /nfs/dbraw/zinc/70/78/52/1123707852.db2.gz FKDPRMPWWSJOHR-UHFFFAOYSA-N 0 1 274.339 3.603 20 0 CHADMN Cc1ccncc1[C@@H](C)NC1(c2ccc(F)cc2)CC1 ZINC000346788857 1123712786 /nfs/dbraw/zinc/71/27/86/1123712786.db2.gz BSSHEXWENSRHMC-CYBMUJFWSA-N 0 1 270.351 3.869 20 0 CHADMN Cc1ccc2ncc(CN[C@H](C)c3ccns3)cc2c1 ZINC000860060761 1123719936 /nfs/dbraw/zinc/71/99/36/1123719936.db2.gz ALXSZAAERFYWAS-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN C/C=C/C[C@H]1CCCN(Cc2c(C)nn(C)c2Cl)C1 ZINC000860180346 1123724200 /nfs/dbraw/zinc/72/42/00/1123724200.db2.gz QVLBHSAFJGGASR-IHVVCDCBSA-N 0 1 281.831 3.560 20 0 CHADMN CCOc1ccccc1CN(C)Cc1cccc2c1NCC2 ZINC000346857492 1123727530 /nfs/dbraw/zinc/72/75/30/1123727530.db2.gz WOAYWFHADXUQGI-UHFFFAOYSA-N 0 1 296.414 3.685 20 0 CHADMN CN[C@@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000158230976 1129141416 /nfs/dbraw/zinc/14/14/16/1129141416.db2.gz YTCGZILMYKMGQA-HNNXBMFYSA-N 0 1 279.355 3.996 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1cncc(F)c1 ZINC000281633966 1123731838 /nfs/dbraw/zinc/73/18/38/1123731838.db2.gz IMQNNAXRENJGJK-NSHDSACASA-N 0 1 276.380 3.793 20 0 CHADMN C[C@@H](OC(=O)C12CC(C1)C2)c1nc2ccc(Cl)cc2[nH]1 ZINC000860540396 1123736883 /nfs/dbraw/zinc/73/68/83/1123736883.db2.gz ZUUWOIQNJQCADB-WWKLZQHZSA-N 0 1 290.750 3.621 20 0 CHADMN Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346968708 1123737505 /nfs/dbraw/zinc/73/75/05/1123737505.db2.gz DRZDLVKSUHCRJM-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccc(F)cc1CN1CCC[C@H]1c1cccnc1 ZINC000346968708 1123737508 /nfs/dbraw/zinc/73/75/08/1123737508.db2.gz DRZDLVKSUHCRJM-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN COc1ccncc1CN(C1CC1)[C@H]1CCc2ccccc21 ZINC000346988977 1123739919 /nfs/dbraw/zinc/73/99/19/1123739919.db2.gz USMZLUBCXHENQR-SFHVURJKSA-N 0 1 294.398 3.742 20 0 CHADMN Cc1nc(C)c(CN[C@H](c2cncc(F)c2)C2CC2)s1 ZINC000281728589 1123742622 /nfs/dbraw/zinc/74/26/22/1123742622.db2.gz UYQFQMPXVOMDTO-HNNXBMFYSA-N 0 1 291.395 3.535 20 0 CHADMN FC(F)n1ccnc1C[N@H+]1CCCC12CCCCC2 ZINC000336167960 1123744775 /nfs/dbraw/zinc/74/47/75/1123744775.db2.gz LJKZMEGCUQJIGX-UHFFFAOYSA-N 0 1 269.339 3.577 20 0 CHADMN FC(F)n1ccnc1CN1CCCC12CCCCC2 ZINC000336167960 1123744778 /nfs/dbraw/zinc/74/47/78/1123744778.db2.gz LJKZMEGCUQJIGX-UHFFFAOYSA-N 0 1 269.339 3.577 20 0 CHADMN Fc1ccc([C@@H]2CN(CCc3cccs3)CCO2)cc1 ZINC000195313158 1129143686 /nfs/dbraw/zinc/14/36/86/1129143686.db2.gz ARJYKNTUCPHQMK-INIZCTEOSA-N 0 1 291.391 3.503 20 0 CHADMN Cc1nc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c(C)s1 ZINC000336351423 1123764401 /nfs/dbraw/zinc/76/44/01/1123764401.db2.gz JEFUIQXNVJRGPZ-GFCCVEGCSA-N 0 1 293.461 3.596 20 0 CHADMN Cc1nc(CN2CCC[C@@H](c3nccs3)C2)c(C)s1 ZINC000336351423 1123764403 /nfs/dbraw/zinc/76/44/03/1123764403.db2.gz JEFUIQXNVJRGPZ-GFCCVEGCSA-N 0 1 293.461 3.596 20 0 CHADMN Cc1nc(C)c(CN[C@H]2c3ccc(F)cc3O[C@H]2C)s1 ZINC000336357732 1123765153 /nfs/dbraw/zinc/76/51/53/1123765153.db2.gz CPMIECULEYKIIX-BJOHPYRUSA-N 0 1 292.379 3.511 20 0 CHADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000336363647 1123766211 /nfs/dbraw/zinc/76/62/11/1123766211.db2.gz ZATQLRBCXZYHFA-GHMZBOCLSA-N 0 1 291.782 3.620 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000336363647 1123766214 /nfs/dbraw/zinc/76/62/14/1123766214.db2.gz ZATQLRBCXZYHFA-GHMZBOCLSA-N 0 1 291.782 3.620 20 0 CHADMN Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)c(C)c1 ZINC000086782850 1123773737 /nfs/dbraw/zinc/77/37/37/1123773737.db2.gz KQAFVGULRHTTEJ-MAUKXSAKSA-N 0 1 289.419 3.860 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086782885 1123774013 /nfs/dbraw/zinc/77/40/13/1123774013.db2.gz PBAAYJAVAGCYOS-XHDPSFHLSA-N 0 1 281.783 3.588 20 0 CHADMN Cc1cc(C(=O)CN(CC(C)C)C2CC2)c(C)n1C1CC1 ZINC000444254355 1123776301 /nfs/dbraw/zinc/77/63/01/1123776301.db2.gz WVHHHKWZKYBFLN-UHFFFAOYSA-N 0 1 288.435 3.743 20 0 CHADMN C=Cn1cc(CN2CC3(CC=CC3)[C@@H]2c2ccccc2)cn1 ZINC000648075024 1123779282 /nfs/dbraw/zinc/77/92/82/1123779282.db2.gz SRANZVXLKVMRPS-SFHVURJKSA-N 0 1 291.398 3.877 20 0 CHADMN COc1ccc(CN2CCCC[C@H]2C)cc1Br ZINC000042211218 1123780480 /nfs/dbraw/zinc/78/04/80/1123780480.db2.gz YNAFLUJDSFOLRY-LLVKDONJSA-N 0 1 298.224 3.832 20 0 CHADMN CC[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000030142141 1123785716 /nfs/dbraw/zinc/78/57/16/1123785716.db2.gz LIEDNLYCLAZDIL-STQMWFEESA-N 0 1 294.826 3.789 20 0 CHADMN CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000030142140 1123786094 /nfs/dbraw/zinc/78/60/94/1123786094.db2.gz LIEDNLYCLAZDIL-QWHCGFSZSA-N 0 1 294.826 3.789 20 0 CHADMN Cc1nc(C2(NCCC(C)C)CCCCCC2)no1 ZINC000101546149 1123788141 /nfs/dbraw/zinc/78/81/41/1123788141.db2.gz GKCXEGFQAKMFCN-UHFFFAOYSA-N 0 1 265.401 3.563 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C)c(C)n1 ZINC000840782381 1123796421 /nfs/dbraw/zinc/79/64/21/1123796421.db2.gz BHYOTKWJFZESDL-SFHVURJKSA-N 0 1 266.388 3.784 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2ccnc(F)c2C)c1 ZINC000862274531 1123797207 /nfs/dbraw/zinc/79/72/07/1123797207.db2.gz QQYAVDOOTMEAHY-CYBMUJFWSA-N 0 1 288.366 3.779 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2ccnc(F)c2C)c1 ZINC000862347649 1123801100 /nfs/dbraw/zinc/80/11/00/1123801100.db2.gz JSQMFNNJEWULRW-UHFFFAOYSA-N 0 1 272.367 3.778 20 0 CHADMN Cc1c(CN2CCC[C@H](CC(F)(F)F)C2)ccnc1F ZINC000862396721 1123806961 /nfs/dbraw/zinc/80/69/61/1123806961.db2.gz XIQRQGHQDXLGPC-LLVKDONJSA-N 0 1 290.304 3.694 20 0 CHADMN CC[C@H](C)CN(C)Cc1sccc1Br ZINC000043677699 1123830497 /nfs/dbraw/zinc/83/04/97/1123830497.db2.gz LHBSKXYRMKZAAI-VIFPVBQESA-N 0 1 276.243 3.989 20 0 CHADMN CCc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)o1 ZINC000475285173 1123833582 /nfs/dbraw/zinc/83/35/82/1123833582.db2.gz YFABDKWIXYCESX-JOYOIKCWSA-N 0 1 261.287 3.615 20 0 CHADMN CC(C)C[C@@H](C[N@@H+](C)Cc1ccnn1C)c1ccccc1 ZINC000475332555 1123842035 /nfs/dbraw/zinc/84/20/35/1123842035.db2.gz KRXDFONQQYZZOC-KRWDZBQOSA-N 0 1 285.435 3.682 20 0 CHADMN CC(C)=CCC[C@@H](C)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000456068535 1123850963 /nfs/dbraw/zinc/85/09/63/1123850963.db2.gz XBXGMBUIEUGIFV-LLVKDONJSA-N 0 1 289.354 3.567 20 0 CHADMN CCCOCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000863250388 1123856345 /nfs/dbraw/zinc/85/63/45/1123856345.db2.gz FUQFOZNKVIVCFU-UHFFFAOYSA-N 0 1 283.784 3.601 20 0 CHADMN C[C@H](N[C@H]1COC(C)(C)C1)c1c(F)cccc1Cl ZINC000396590292 1123864707 /nfs/dbraw/zinc/86/47/07/1123864707.db2.gz PEFPNIMSAVGJGM-VHSXEESVSA-N 0 1 271.763 3.697 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccn1)c1ccc2c(c1)OCCCO2 ZINC000192917301 1123866104 /nfs/dbraw/zinc/86/61/04/1123866104.db2.gz ULLNWRLXLKTOJN-KBPBESRZSA-N 0 1 298.386 3.655 20 0 CHADMN COc1ccc(CNCc2sccc2Cl)cc1OC ZINC000192976966 1123868094 /nfs/dbraw/zinc/86/80/94/1123868094.db2.gz UGDDOWKPQWPUHU-UHFFFAOYSA-N 0 1 297.807 3.709 20 0 CHADMN Cc1cccc(CNCc2sccc2Cl)c1 ZINC000192991061 1123869619 /nfs/dbraw/zinc/86/96/19/1123869619.db2.gz DXPPTQHVCISTDS-UHFFFAOYSA-N 0 1 251.782 4.000 20 0 CHADMN CC[C@H](N[C@H](C)c1cnc(C)cn1)c1cccs1 ZINC000428342306 1123873399 /nfs/dbraw/zinc/87/33/99/1123873399.db2.gz ADKSAIMKVFQYGM-NEPJUHHUSA-N 0 1 261.394 3.648 20 0 CHADMN CCCc1cc(C(=O)N(CCC(C)C)C2CCCC2)n[nH]1 ZINC000621237027 1129151523 /nfs/dbraw/zinc/15/15/23/1129151523.db2.gz AVJLTWBGZUYLEI-UHFFFAOYSA-N 0 1 291.439 3.793 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H]2CC[C@@H](c3ccccc3)C2)n1 ZINC000863655424 1123884654 /nfs/dbraw/zinc/88/46/54/1123884654.db2.gz CPDZFPKWOKZGBP-KFWWJZLASA-N 0 1 285.391 3.777 20 0 CHADMN CCCCOCCNc1ccnc2cc(F)ccc21 ZINC000301261679 1123885517 /nfs/dbraw/zinc/88/55/17/1123885517.db2.gz LNACXWDMBPLOST-UHFFFAOYSA-N 0 1 262.328 3.603 20 0 CHADMN O[C@@H](CNc1ccnc2cc(F)ccc21)c1ccsc1 ZINC000301390492 1123897123 /nfs/dbraw/zinc/89/71/23/1123897123.db2.gz ZEQXLOZECNHHHQ-HNNXBMFYSA-N 0 1 288.347 3.581 20 0 CHADMN C[C@@H]1CN(c2ccnc3cc(F)ccc32)C[C@@H](C)S1 ZINC000301450355 1123901648 /nfs/dbraw/zinc/90/16/48/1123901648.db2.gz FQRZAVFXODPELL-GHMZBOCLSA-N 0 1 276.380 3.704 20 0 CHADMN CC[C@H]1CN(c2ccnc3cc(F)ccc32)CCS1 ZINC000301465206 1123903007 /nfs/dbraw/zinc/90/30/07/1123903007.db2.gz WVGQKEYCHAFDRR-LBPRGKRZSA-N 0 1 276.380 3.706 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nnc(-c2cc(C)oc2C)o1 ZINC000102667638 1123905641 /nfs/dbraw/zinc/90/56/41/1123905641.db2.gz UJGOPCRZGVMCBF-CYBMUJFWSA-N 0 1 289.379 3.711 20 0 CHADMN CCC(C)(C)NC(=O)CN(C)[C@@H](C)c1cc(C)ccc1C ZINC000621281346 1129157766 /nfs/dbraw/zinc/15/77/66/1129157766.db2.gz CAXSRTJJDMXDKI-HNNXBMFYSA-N 0 1 290.451 3.601 20 0 CHADMN Cc1ccnc(NCCc2c[nH]c3c2cccc3C)c1 ZINC000301623344 1123918751 /nfs/dbraw/zinc/91/87/51/1123918751.db2.gz GERUXEASIVGYJI-UHFFFAOYSA-N 0 1 265.360 3.834 20 0 CHADMN Cc1ccnc(NCCCO[C@H](C)c2ccccc2)c1 ZINC000301639323 1123919662 /nfs/dbraw/zinc/91/96/62/1123919662.db2.gz MQURWZQXEBOQFT-OAHLLOKOSA-N 0 1 270.376 3.970 20 0 CHADMN COc1ccc(C(C)(C)CNc2cc(C)ccn2)cc1 ZINC000301666320 1123922628 /nfs/dbraw/zinc/92/26/28/1123922628.db2.gz WVJGCXOSMHTHPV-UHFFFAOYSA-N 0 1 270.376 3.788 20 0 CHADMN Fc1ccc2c(c1)nccc2N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000301678157 1123923193 /nfs/dbraw/zinc/92/31/93/1123923193.db2.gz UAIGIEGURAVAFZ-JJRVBVJISA-N 0 1 286.350 3.743 20 0 CHADMN COc1ncccc1CNc1cc(C)nc2ccc(F)cc21 ZINC000301695456 1123924678 /nfs/dbraw/zinc/92/46/78/1123924678.db2.gz YLTAEBUEZDSYFP-UHFFFAOYSA-N 0 1 297.333 3.698 20 0 CHADMN O[C@@H](c1ccccc1)[C@H](NC/C=C/Cl)c1ccccc1 ZINC000794671651 1123926081 /nfs/dbraw/zinc/92/60/81/1123926081.db2.gz WEMVRQDQDLMJDO-MYGHVRAUSA-N 0 1 287.790 3.803 20 0 CHADMN Cc1cccc(NCCCO[C@H](C)c2ccccc2)n1 ZINC000301707246 1123926197 /nfs/dbraw/zinc/92/61/97/1123926197.db2.gz GQFJUXKQRJMINW-OAHLLOKOSA-N 0 1 270.376 3.970 20 0 CHADMN Clc1cncc(CN2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000621262050 1129154105 /nfs/dbraw/zinc/15/41/05/1129154105.db2.gz MPUHRTXKXQYLQC-KBPBESRZSA-N 0 1 282.840 3.595 20 0 CHADMN c1cn2c(n1)[C@H](NCc1ccccc1-c1ccccc1)CC2 ZINC001202514132 1123940410 /nfs/dbraw/zinc/94/04/10/1123940410.db2.gz UATLJISHXDRALT-GOSISDBHSA-N 0 1 289.382 3.785 20 0 CHADMN Fc1ccc([C@@H]2CCN(Cc3cncc(Cl)c3)C2)cc1 ZINC000621262293 1129154895 /nfs/dbraw/zinc/15/48/95/1129154895.db2.gz VLZYNJDUFFQTLM-CQSZACIVSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1cc(NC[C@H](C)Cn2cccn2)c2cc(F)ccc2n1 ZINC000301996613 1123948621 /nfs/dbraw/zinc/94/86/21/1123948621.db2.gz TZODLFROALKUHT-LBPRGKRZSA-N 0 1 298.365 3.627 20 0 CHADMN COc1cc(CN2CCCC[C@@H]2C)cc(Cl)c1OC ZINC000158932128 1129155765 /nfs/dbraw/zinc/15/57/65/1129155765.db2.gz CKKWOHOEFAECJW-NSHDSACASA-N 0 1 283.799 3.732 20 0 CHADMN Cc1cccc(NCCSCc2ccccc2F)n1 ZINC000302233638 1123963178 /nfs/dbraw/zinc/96/31/78/1123963178.db2.gz GIBITUCNLWKFBN-UHFFFAOYSA-N 0 1 276.380 3.874 20 0 CHADMN Cc1cc(N[C@@H]2CCC[C@H]2CCO)c2cc(F)ccc2n1 ZINC000302476196 1123969360 /nfs/dbraw/zinc/96/93/60/1123969360.db2.gz VHTNLDKFLYJRMY-SWLSCSKDSA-N 0 1 288.366 3.645 20 0 CHADMN Cc1cccc2c1[C@@H](C)C[C@@H]2NCc1cccnc1F ZINC000794836537 1123971347 /nfs/dbraw/zinc/97/13/47/1123971347.db2.gz QQTXWVVACMPLJG-WFASDCNBSA-N 0 1 270.351 3.867 20 0 CHADMN CO[C@H]1CC[C@H](Nc2cc(C)nc3ccc(F)cc32)C1 ZINC000302610176 1123974996 /nfs/dbraw/zinc/97/49/96/1123974996.db2.gz ALKXCRVGMXTUBC-STQMWFEESA-N 0 1 274.339 3.662 20 0 CHADMN COc1ccc(CNc2ccnc3cc(F)ccc32)cc1O ZINC000302674959 1123977141 /nfs/dbraw/zinc/97/71/41/1123977141.db2.gz UAAJGRKZPYUVKN-UHFFFAOYSA-N 0 1 298.317 3.700 20 0 CHADMN FC(F)(F)c1cnccc1N1CCC[C@H]1c1cccnc1 ZINC000865418271 1123982033 /nfs/dbraw/zinc/98/20/33/1123982033.db2.gz DJEIASSXWPXZDC-ZDUSSCGKSA-N 0 1 293.292 3.837 20 0 CHADMN CC(C)(C)Oc1cccc(CNCc2ccoc2)c1 ZINC000865427770 1123983312 /nfs/dbraw/zinc/98/33/12/1123983312.db2.gz JNFQYWBDKRCCFW-UHFFFAOYSA-N 0 1 259.349 3.747 20 0 CHADMN CC[C@H](NCc1cnc(Cl)c(F)c1)c1ccncc1 ZINC000865473197 1123987336 /nfs/dbraw/zinc/98/73/36/1123987336.db2.gz LTRCYSPKZFLSKM-ZDUSSCGKSA-N 0 1 279.746 3.510 20 0 CHADMN COc1cc(Cl)c(CN[C@H](C)c2ccc[nH]2)cc1OC ZINC000865513688 1123991308 /nfs/dbraw/zinc/99/13/08/1123991308.db2.gz UBMDQDITUKGHCB-SNVBAGLBSA-N 0 1 294.782 3.536 20 0 CHADMN Cc1cc(C)c(/C=C/CN[C@H]2CCn3ccnc32)c(C)c1 ZINC000865583113 1123996680 /nfs/dbraw/zinc/99/66/80/1123996680.db2.gz ROOSUCREDRQXCK-BDUNBXCCSA-N 0 1 281.403 3.556 20 0 CHADMN Cc1cc(C)c(/C=C\CN[C@@H]2CCn3ccnc32)c(C)c1 ZINC000865583117 1123997450 /nfs/dbraw/zinc/99/74/50/1123997450.db2.gz ROOSUCREDRQXCK-VGOKWCNXSA-N 0 1 281.403 3.556 20 0 CHADMN CCOc1cc(F)cc(CNCc2cc(C)nc(C)c2)c1 ZINC000865606189 1123998885 /nfs/dbraw/zinc/99/88/85/1123998885.db2.gz SLHMIHTYTGIKMS-UHFFFAOYSA-N 0 1 288.366 3.526 20 0 CHADMN CC(C)COc1ccc(CNc2nccn2C2CC2)cc1 ZINC000840887822 1123999415 /nfs/dbraw/zinc/99/94/15/1123999415.db2.gz WIRAGXDXCOTLBJ-UHFFFAOYSA-N 0 1 285.391 3.865 20 0 CHADMN Fc1cc(CNCc2ccsc2C(F)(F)F)ccn1 ZINC000865653219 1124003091 /nfs/dbraw/zinc/00/30/91/1124003091.db2.gz NPPFZGLEWCVEJQ-UHFFFAOYSA-N 0 1 290.285 3.591 20 0 CHADMN Cc1cc(-c2noc([C@H](C)N3CC[C@H](C)C3)n2)ccc1F ZINC000261386023 1124003758 /nfs/dbraw/zinc/00/37/58/1124003758.db2.gz KAJSVUPBLUCQEA-JQWIXIFHSA-N 0 1 289.354 3.587 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCN1c1ccncc1C(F)(F)F ZINC000865740183 1124009730 /nfs/dbraw/zinc/00/97/30/1124009730.db2.gz ADFGFJMDAXBVHK-JGVFFNPUSA-N 0 1 298.230 3.878 20 0 CHADMN CCC(CC)(CNCc1csc(C)n1)C(F)(F)F ZINC000865757369 1124011997 /nfs/dbraw/zinc/01/19/97/1124011997.db2.gz PEKBWJRTIQBSBN-UHFFFAOYSA-N 0 1 280.359 3.910 20 0 CHADMN CCCN(Cc1cnc(C)s1)Cc1ccc(OC)cc1 ZINC000621291716 1129160695 /nfs/dbraw/zinc/16/06/95/1129160695.db2.gz NBAIVZUBXHSQMR-UHFFFAOYSA-N 0 1 290.432 3.872 20 0 CHADMN C[C@@H](NCc1ccccc1F)c1ccc(Cl)nc1 ZINC000179094456 1124016398 /nfs/dbraw/zinc/01/63/98/1124016398.db2.gz JGCQSFMUVSPKPA-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN C[C@@]12CCN(c3ccncc3C(F)(F)F)C[C@@H]1C2(F)F ZINC000865823441 1124017897 /nfs/dbraw/zinc/01/78/97/1124017897.db2.gz DSKFPXUTKLWAJJ-WDEREUQCSA-N 0 1 292.251 3.582 20 0 CHADMN Fc1ccc2c(c1)onc2CNCc1cccc2c1CCC2 ZINC000865836618 1124019734 /nfs/dbraw/zinc/01/97/34/1124019734.db2.gz LQVMFQSSXYSTCV-UHFFFAOYSA-N 0 1 296.345 3.745 20 0 CHADMN CC(C)c1nc(CN[C@H]2CCCC[C@H]2C(C)(C)C)no1 ZINC000108366980 1124026159 /nfs/dbraw/zinc/02/61/59/1124026159.db2.gz WOZOFLBFOIMQEU-OLZOCXBDSA-N 0 1 279.428 3.888 20 0 CHADMN C[C@H](c1nc(CCc2ccccc2)no1)N1[C@H](C)CC[C@H]1C ZINC000248917451 1124027579 /nfs/dbraw/zinc/02/75/79/1124027579.db2.gz KBUARMJOZWUVJX-RBSFLKMASA-N 0 1 299.418 3.789 20 0 CHADMN C[C@H]1CCN(Cc2cc(Br)cs2)[C@H]1C ZINC000307717022 1124028970 /nfs/dbraw/zinc/02/89/70/1124028970.db2.gz IUFGGRMNZYCZQL-IUCAKERBSA-N 0 1 274.227 3.741 20 0 CHADMN Cc1cccc(CN[C@H]2c3cc(F)ccc3CC[C@H]2C)n1 ZINC000866237578 1124039354 /nfs/dbraw/zinc/03/93/54/1124039354.db2.gz FCOKNOOLYCDNSF-KZULUSFZSA-N 0 1 284.378 3.942 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccns2)c2ccccc2n1 ZINC000925157012 1124042370 /nfs/dbraw/zinc/04/23/70/1124042370.db2.gz RUKNFBFMWFXVPC-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN CC(C)N(CCO[C@@H]1CCCCO1)Cc1ccccc1F ZINC000444602458 1124045323 /nfs/dbraw/zinc/04/53/23/1124045323.db2.gz JIMHPWKZPLORLS-QGZVFWFLSA-N 0 1 295.398 3.579 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1nncn1-c1ccccc1 ZINC000444649654 1124047935 /nfs/dbraw/zinc/04/79/35/1124047935.db2.gz AOAYOCRLSOOEJR-MRXNPFEDSA-N 0 1 298.434 3.812 20 0 CHADMN CC(C)[C@@H](N[C@H]1CN(C)Cc2ccccc21)c1ccccn1 ZINC000866311788 1124051505 /nfs/dbraw/zinc/05/15/05/1124051505.db2.gz KFXDRUMXWUAWGH-RBUKOAKNSA-N 0 1 295.430 3.555 20 0 CHADMN CCc1ncc(CN[C@@H]2c3cc(F)ccc3CC[C@H]2C)o1 ZINC000866371045 1124059081 /nfs/dbraw/zinc/05/90/81/1124059081.db2.gz HHSONCBFULFATH-DIFFPNOSSA-N 0 1 288.366 3.789 20 0 CHADMN CCC[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1cc(C)ccn1 ZINC000866388944 1124060843 /nfs/dbraw/zinc/06/08/43/1124060843.db2.gz GZMHNNRDWYJCAL-YQVWRLOYSA-N 0 1 296.414 3.999 20 0 CHADMN CC(C)[C@H]1CCCN([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000444768680 1124061525 /nfs/dbraw/zinc/06/15/25/1124061525.db2.gz FRUFNOZYECEOLP-STQMWFEESA-N 0 1 279.428 3.796 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1ccc2cccnc2c1 ZINC000866431338 1124065224 /nfs/dbraw/zinc/06/52/24/1124065224.db2.gz OUHBXULMXSQNFP-GFCCVEGCSA-N 0 1 295.386 3.944 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(C(F)(F)F)s1 ZINC000717943892 1129164020 /nfs/dbraw/zinc/16/40/20/1129164020.db2.gz KHFCEEJTYFWWNX-JGVFFNPUSA-N 0 1 289.326 3.902 20 0 CHADMN CC[C@@H](C)CN[C@@H](CO)c1c(Cl)cccc1Cl ZINC000475622763 1124073879 /nfs/dbraw/zinc/07/38/79/1124073879.db2.gz GESYIGAXTKAYMZ-SKDRFNHKSA-N 0 1 276.207 3.663 20 0 CHADMN COC(=O)CCCN1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444797262 1124065435 /nfs/dbraw/zinc/06/54/35/1124065435.db2.gz XXFIYCXJLMFKIT-OAHLLOKOSA-N 0 1 295.810 3.820 20 0 CHADMN Cc1c([C@@H](C)N[C@@H]2CCCC[C@@H]2F)cnn1C(C)(C)C ZINC000866450286 1124067405 /nfs/dbraw/zinc/06/74/05/1124067405.db2.gz RPPJAJNWIRPEDU-BYCMXARLSA-N 0 1 281.419 3.878 20 0 CHADMN CC(C)c1cnc(N(C)Cc2cc(C(C)(C)C)[nH]n2)s1 ZINC000444872714 1124068569 /nfs/dbraw/zinc/06/85/69/1124068569.db2.gz KZAVTQXGGXMIPZ-UHFFFAOYSA-N 0 1 292.452 3.924 20 0 CHADMN CCC[C@@H](NCc1ccnc(F)c1)c1cc(C)ccn1 ZINC000866475457 1124069725 /nfs/dbraw/zinc/06/97/25/1124069725.db2.gz ZNVTVQZBHHBKMM-CQSZACIVSA-N 0 1 273.355 3.555 20 0 CHADMN CCCN(Cc1oc(C(C)C)nc1C)C[C@@H]1CCCCO1 ZINC000428386610 1124071432 /nfs/dbraw/zinc/07/14/32/1124071432.db2.gz IPSSXIBBWZDKFI-HNNXBMFYSA-N 0 1 294.439 3.888 20 0 CHADMN Cc1ccccc1[C@H](CC(C)C)NCc1nccnc1C ZINC000621335657 1129164469 /nfs/dbraw/zinc/16/44/69/1129164469.db2.gz UWGCWMBEZYOIPH-KRWDZBQOSA-N 0 1 283.419 3.970 20 0 CHADMN CCn1ccnc1[C@H](C)NCC(CC)(CC)C(F)(F)F ZINC000866506259 1124074068 /nfs/dbraw/zinc/07/40/68/1124074068.db2.gz HADZHGSVWBEVBD-NSHDSACASA-N 0 1 291.361 3.922 20 0 CHADMN Cc1ccc2nc(CN[C@@H](c3cccs3)C3CC3)cn2c1 ZINC000544397864 1124074226 /nfs/dbraw/zinc/07/42/26/1124074226.db2.gz MFFFVUCYEAPLLT-QGZVFWFLSA-N 0 1 297.427 3.945 20 0 CHADMN CC(C)c1ncc(CN2CCC[C@H](OCC3CC3)C2)s1 ZINC000428392263 1124075372 /nfs/dbraw/zinc/07/53/72/1124075372.db2.gz YUPRHUBJLWHRIF-AWEZNQCLSA-N 0 1 294.464 3.658 20 0 CHADMN Fc1ccc(/C=C\C[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000428395419 1124076967 /nfs/dbraw/zinc/07/69/67/1124076967.db2.gz BLBXGYYCEUTKGG-PBMKKYJASA-N 0 1 289.394 3.730 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@@](C)(O)C1 ZINC000445381524 1124082021 /nfs/dbraw/zinc/08/20/21/1124082021.db2.gz YDNCCPAFCROIPF-UONOGXRCSA-N 0 1 288.218 3.901 20 0 CHADMN COc1cc(CN[C@@H](CC2CCC2)c2ccccc2)on1 ZINC000660219616 1129165171 /nfs/dbraw/zinc/16/51/71/1129165171.db2.gz DNFICKVXWICEKR-INIZCTEOSA-N 0 1 286.375 3.704 20 0 CHADMN Cc1ccc(F)c(-c2noc(CN3[C@@H](C)CC[C@@H]3C)n2)c1 ZINC000445458860 1124085296 /nfs/dbraw/zinc/08/52/96/1124085296.db2.gz WLNAVEYNUKRWNG-RYUDHWBXSA-N 0 1 289.354 3.557 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1nc(-c2coc3ccccc23)no1 ZINC000445571124 1124091587 /nfs/dbraw/zinc/09/15/87/1124091587.db2.gz LGXMMLKRDXSSIY-VXGBXAGGSA-N 0 1 297.358 3.856 20 0 CHADMN Cc1cc(-c2noc(-c3ccc(O)c(Cl)c3)n2)c(C)o1 ZINC000445859081 1124103977 /nfs/dbraw/zinc/10/39/77/1124103977.db2.gz ILBAAPJDXCOKBN-UHFFFAOYSA-N 0 1 290.706 3.972 20 0 CHADMN c1cn2cc(CN3CCCC4(CCCC4)C3)nc2s1 ZINC000445846586 1124105008 /nfs/dbraw/zinc/10/50/08/1124105008.db2.gz KJFJJQCOHMCLMJ-UHFFFAOYSA-N 0 1 275.421 3.552 20 0 CHADMN COCc1nc(CN(C)[C@@H]2CCC[C@@H]2C(C)(C)C)cs1 ZINC000418109205 1124107328 /nfs/dbraw/zinc/10/73/28/1124107328.db2.gz HXGQTCKCQBOZRL-UONOGXRCSA-N 0 1 296.480 3.936 20 0 CHADMN CCCc1nc(C)c(CN2C[C@H](C)C[C@@H]2c2cccnc2)o1 ZINC000428430473 1124109019 /nfs/dbraw/zinc/10/90/19/1124109019.db2.gz MVRYOIMTTJDUOH-CZUORRHYSA-N 0 1 299.418 3.914 20 0 CHADMN Cc1cccc(NC(=O)CN2CCCCC(C)(C)C2)c1C ZINC000446086591 1124109060 /nfs/dbraw/zinc/10/90/60/1124109060.db2.gz ZXLFWDHJGSJZNK-UHFFFAOYSA-N 0 1 288.435 3.754 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000086784848 1129166786 /nfs/dbraw/zinc/16/67/86/1129166786.db2.gz YVRWQYQQYJRWQB-MEDUHNTESA-N 0 1 297.345 3.603 20 0 CHADMN Cc1cnccc1CN[C@@H](C)c1ccccc1OC(F)F ZINC000228657152 1124110894 /nfs/dbraw/zinc/11/08/94/1124110894.db2.gz RMJJJGWWGCDRHR-LBPRGKRZSA-N 0 1 292.329 3.842 20 0 CHADMN CC(C)c1nc(CN(C)[C@@H](C)c2ccc(Cl)cc2)n[nH]1 ZINC000428439878 1124113265 /nfs/dbraw/zinc/11/32/65/1124113265.db2.gz DAAMBTFJQZWCCB-NSHDSACASA-N 0 1 292.814 3.775 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1Cl)NCc1ccon1 ZINC000634958678 1129167279 /nfs/dbraw/zinc/16/72/79/1129167279.db2.gz WLPCAHKEAJWPMW-SECBINFHSA-N 0 1 285.174 3.702 20 0 CHADMN CCN(Cc1n[nH]c(C(C)C)n1)[C@@H](C)c1ccc(F)cc1 ZINC000428450416 1124117646 /nfs/dbraw/zinc/11/76/46/1124117646.db2.gz ZQZSYEBINXCVNT-LBPRGKRZSA-N 0 1 290.386 3.650 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1CC[C@@H](C(C)C)C1 ZINC000446723867 1124120301 /nfs/dbraw/zinc/12/03/01/1124120301.db2.gz WYSIZYNGANXWQV-CYBMUJFWSA-N 0 1 294.826 3.565 20 0 CHADMN CCC1(CC)CCN(Cc2ncc(C(C)(C)C)o2)C1 ZINC000446719537 1124120394 /nfs/dbraw/zinc/12/03/94/1124120394.db2.gz PCTIDYMOXPAKBD-UHFFFAOYSA-N 0 1 264.413 3.984 20 0 CHADMN CCc1cnc(CN([C@H](C)[C@H](C)CC)C2CC2)o1 ZINC000525275195 1124121650 /nfs/dbraw/zinc/12/16/50/1124121650.db2.gz VAURGUFBRNPZFV-VXGBXAGGSA-N 0 1 250.386 3.636 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H]2CC(C)(C)C[C@@H]2C)no1 ZINC000446793425 1124122453 /nfs/dbraw/zinc/12/24/53/1124122453.db2.gz DQTQSJGCCGTJFC-ZFWWWQNUSA-N 0 1 299.418 3.959 20 0 CHADMN CC[C@@H]1[C@H](C)CCN1Cc1cnc(C(F)(F)F)s1 ZINC000446814050 1124122881 /nfs/dbraw/zinc/12/28/81/1124122881.db2.gz USNNEJBXFWLGFH-PSASIEDQSA-N 0 1 278.343 3.782 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cccc2ncccc12 ZINC000634962188 1129167517 /nfs/dbraw/zinc/16/75/17/1129167517.db2.gz NHZVMCRPQGIQTN-NSHDSACASA-N 0 1 281.359 3.690 20 0 CHADMN CCc1ccc(CCSCc2n[nH]c(C3CC3)n2)cc1 ZINC000447019592 1124130958 /nfs/dbraw/zinc/13/09/58/1124130958.db2.gz XNHPPXIPDAMQER-UHFFFAOYSA-N 0 1 287.432 3.720 20 0 CHADMN C=Cc1ccc(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)cc1 ZINC000447062696 1124131229 /nfs/dbraw/zinc/13/12/29/1124131229.db2.gz CTLDZOAZIOXIDN-UHFFFAOYSA-N 0 1 297.402 3.622 20 0 CHADMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccc(Cl)o1 ZINC000447067412 1124131320 /nfs/dbraw/zinc/13/13/20/1124131320.db2.gz KAAPRPDPGBDEME-UHFFFAOYSA-N 0 1 281.787 3.586 20 0 CHADMN CN(CCc1ccccc1F)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447076967 1124132573 /nfs/dbraw/zinc/13/25/73/1124132573.db2.gz JELUIAIWALNEDX-UHFFFAOYSA-N 0 1 289.398 3.521 20 0 CHADMN COCC[C@@H](NCc1cccc2ncccc12)c1ccco1 ZINC000634974903 1129168637 /nfs/dbraw/zinc/16/86/37/1129168637.db2.gz MWMLFVHLMCFWJO-QGZVFWFLSA-N 0 1 296.370 3.695 20 0 CHADMN CCOC(=O)[C@H](N[C@H]1CCCC(C)(C)C1)[C@@H](C)CC ZINC001258277478 1129169977 /nfs/dbraw/zinc/16/99/77/1129169977.db2.gz GRJZZLGCGUETCA-MELADBBJSA-N 0 1 269.429 3.523 20 0 CHADMN Cc1cc(F)cc(CN2CCC3(CCO3)CC2)c1Cl ZINC001238781704 1131246361 /nfs/dbraw/zinc/24/63/61/1131246361.db2.gz OURVYMVNXFYSHW-UHFFFAOYSA-N 0 1 283.774 3.542 20 0 CHADMN c1nc2cnc(-c3ccnc(Oc4ccccc4)c3)cc2[nH]1 ZINC001238833266 1131252301 /nfs/dbraw/zinc/25/23/01/1131252301.db2.gz DLDHCPFHUVHHCQ-UHFFFAOYSA-N 0 1 288.310 3.812 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001238780846 1131246820 /nfs/dbraw/zinc/24/68/20/1131246820.db2.gz NBJRQRMYSCWQRL-LRDDRELGSA-N 0 1 297.801 3.788 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CCC[C@H]2C[C@H]21 ZINC001238786736 1131247762 /nfs/dbraw/zinc/24/77/62/1131247762.db2.gz GOUGFBCANVEVLI-IINYFYTJSA-N 0 1 253.748 3.772 20 0 CHADMN Cc1csc([C@@H]2CCN(Cc3ncoc3C(C)C)C2)n1 ZINC001119268674 1131248754 /nfs/dbraw/zinc/24/87/54/1131248754.db2.gz KNMPYBXBHFZVPG-GFCCVEGCSA-N 0 1 291.420 3.552 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(OC(C)C)ncc2F)C1 ZINC001238803102 1131249557 /nfs/dbraw/zinc/24/95/57/1131249557.db2.gz WXCUAODXTIITAI-CYBMUJFWSA-N 0 1 280.387 3.630 20 0 CHADMN COc1cccc2cc(CN[C@@H]3CCc4cccnc43)oc21 ZINC001119505769 1131256505 /nfs/dbraw/zinc/25/65/05/1131256505.db2.gz VQELLMPTNMBAQQ-OAHLLOKOSA-N 0 1 294.354 3.614 20 0 CHADMN CCCCCc1cc(=O)n(Cc2ccccc2F)[nH]1 ZINC001245942514 1131256535 /nfs/dbraw/zinc/25/65/35/1131256535.db2.gz FHWIEWHZJKZTJU-UHFFFAOYSA-N 0 1 262.328 3.509 20 0 CHADMN Cc1cccc(-c2noc(CN3CCC[C@H](C)[C@H]3C)n2)c1 ZINC000525634665 1124451802 /nfs/dbraw/zinc/45/18/02/1124451802.db2.gz JJZRNPDQCQDEQU-UONOGXRCSA-N 0 1 285.391 3.665 20 0 CHADMN Cc1ccc2nc(SC[C@H]3CCO[C@@H](C)C3)[nH]c2c1 ZINC000447305927 1124464958 /nfs/dbraw/zinc/46/49/58/1124464958.db2.gz NTNUOZTYVZZFCP-RYUDHWBXSA-N 0 1 276.405 3.779 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3nc(Cl)ccc32)cc1F ZINC001119697365 1131261735 /nfs/dbraw/zinc/26/17/35/1131261735.db2.gz MEZSEADQTPTKOC-CQSZACIVSA-N 0 1 290.769 3.960 20 0 CHADMN Cc1ccc(C[N@@H+](C)C[C@H]2CCCOC2)c(Cl)c1 ZINC000447343778 1124467959 /nfs/dbraw/zinc/46/79/59/1124467959.db2.gz PHHZZUNNVMVNKB-CYBMUJFWSA-N 0 1 267.800 3.507 20 0 CHADMN C[C@H](CN1CCc2ncsc2C1)c1cccc(Cl)c1 ZINC000525872008 1124477646 /nfs/dbraw/zinc/47/76/46/1124477646.db2.gz RPNAALZGASDMGK-LLVKDONJSA-N 0 1 292.835 3.958 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](Cc1occc1C(=O)[O-])Cc1ccccc1 ZINC000385188819 1124480166 /nfs/dbraw/zinc/48/01/66/1124480166.db2.gz LTJVIYAYWUKTMM-ZDUSSCGKSA-N 0 1 299.370 3.779 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@H]2CCCCC2(C)C)c1 ZINC000447553635 1124483227 /nfs/dbraw/zinc/48/32/27/1124483227.db2.gz XFWXSGHTSZPOTA-CYBMUJFWSA-N 0 1 289.375 3.750 20 0 CHADMN COC[C@H](N[C@@H]1CCCc2occc21)c1ccc(F)cc1 ZINC000447584010 1124492877 /nfs/dbraw/zinc/49/28/77/1124492877.db2.gz DICBJRGEPGXKJW-CVEARBPZSA-N 0 1 289.350 3.773 20 0 CHADMN Cc1cccc(C)c1OCCCN1CCC[C@H]1c1cc[nH]n1 ZINC000429725209 1124503654 /nfs/dbraw/zinc/50/36/54/1124503654.db2.gz YFAQOYCBPGSYQI-KRWDZBQOSA-N 0 1 299.418 3.633 20 0 CHADMN Cc1cc([C@H]2CCCN2c2cc[nH+]c3c([O-])cccc23)no1 ZINC000795067664 1124505281 /nfs/dbraw/zinc/50/52/81/1124505281.db2.gz SZGJLSVAQMAVIM-OAHLLOKOSA-N 0 1 295.342 3.578 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1cnc(C(F)(F)F)s1 ZINC000447727927 1124511043 /nfs/dbraw/zinc/51/10/43/1124511043.db2.gz CWONLWNLAPYPII-MRVPVSSYSA-N 0 1 298.399 3.735 20 0 CHADMN C=Cn1cc(CN(C)Cc2c(CC)oc3ccccc32)cn1 ZINC000447738988 1124519422 /nfs/dbraw/zinc/51/94/22/1124519422.db2.gz GMWNFCUKBIHOTI-UHFFFAOYSA-N 0 1 295.386 3.924 20 0 CHADMN C=Cn1cc(CN(CCC)[C@H](C)c2ccccc2OC)cn1 ZINC000447747481 1124520437 /nfs/dbraw/zinc/52/04/37/1124520437.db2.gz ULDUCWYFTBHHLK-OAHLLOKOSA-N 0 1 299.418 3.965 20 0 CHADMN CC(C)(C)[C@@H]1CN([C@H]2CCc3ccc(F)cc32)CCO1 ZINC000447841895 1124534343 /nfs/dbraw/zinc/53/43/43/1124534343.db2.gz FTHROYXOOALUTB-HOTGVXAUSA-N 0 1 277.383 3.560 20 0 CHADMN Cc1ccc(-c2ccccc2NC(=O)[C@H](C)N(C)C)s1 ZINC000869833458 1124535420 /nfs/dbraw/zinc/53/54/20/1124535420.db2.gz NTXZICWNZJVTSJ-LBPRGKRZSA-N 0 1 288.416 3.612 20 0 CHADMN CC(C)c1csc(NC(=O)c2c[nH]nc2C(C)(C)C)n1 ZINC000339097667 1124545185 /nfs/dbraw/zinc/54/51/85/1124545185.db2.gz ZQQBXMBPWVQZNP-UHFFFAOYSA-N 0 1 292.408 3.539 20 0 CHADMN C[C@H]1C[C@H](c2nc(-c3ccn4cncc4c3)no2)C[C@@H](C)C1 ZINC000447948269 1124545033 /nfs/dbraw/zinc/54/50/33/1124545033.db2.gz MOYOXNPMXZNTBU-IMRBUKKESA-N 0 1 296.374 3.924 20 0 CHADMN Cc1nc2cc(-c3cc(OC(C)C)cnc3F)ccc2[nH]1 ZINC001238893354 1131267360 /nfs/dbraw/zinc/26/73/60/1131267360.db2.gz MYFLHJCUQUKYQZ-UHFFFAOYSA-N 0 1 285.322 3.860 20 0 CHADMN C[C@@H]1CSCCN1C/C=C\c1ccc(Cl)cc1 ZINC000527049162 1124547084 /nfs/dbraw/zinc/54/70/84/1124547084.db2.gz VBAQPAGSWDFNTA-ZZKXABKFSA-N 0 1 267.825 3.791 20 0 CHADMN CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1F ZINC000527298536 1124567860 /nfs/dbraw/zinc/56/78/60/1124567860.db2.gz WFLNZAIEQJMRRY-HUUCEWRRSA-N 0 1 285.790 3.605 20 0 CHADMN CC[C@@H](O)[C@H]1CCCCN1Cc1cc(Cl)ccc1F ZINC000527298536 1124567868 /nfs/dbraw/zinc/56/78/68/1124567868.db2.gz WFLNZAIEQJMRRY-HUUCEWRRSA-N 0 1 285.790 3.605 20 0 CHADMN c1cc(CN2CCC[C@H]3CCC[C@@H]32)n(C2CCCC2)n1 ZINC000449017142 1124629943 /nfs/dbraw/zinc/62/99/43/1124629943.db2.gz HHKQYBNGIAFRJL-PBHICJAKSA-N 0 1 273.424 3.763 20 0 CHADMN COc1cc(CN2CCO[C@@H]3CCC[C@H]32)cc2ccccc21 ZINC000449017386 1124630267 /nfs/dbraw/zinc/63/02/67/1124630267.db2.gz PITLDAMNWSJGEQ-QZTJIDSGSA-N 0 1 297.398 3.602 20 0 CHADMN C[C@H]1c2cccn2CCN1Cc1cccc2ccoc21 ZINC000449003805 1124631143 /nfs/dbraw/zinc/63/11/43/1124631143.db2.gz SWNZGWTWCOQUBT-ZDUSSCGKSA-N 0 1 266.344 3.811 20 0 CHADMN C[C@H]1CCC[N@H+]1Cc1cnc(CCc2ccccc2)s1 ZINC000449031884 1124636564 /nfs/dbraw/zinc/63/65/64/1124636564.db2.gz XPSDZGHFVDJHIV-AWEZNQCLSA-N 0 1 286.444 3.913 20 0 CHADMN COc1cccc(F)c1CN[C@H]1CCc2ccc(C)cc21 ZINC001120343941 1131274009 /nfs/dbraw/zinc/27/40/09/1131274009.db2.gz JBQSRLKDBIMBJW-KRWDZBQOSA-N 0 1 285.362 3.920 20 0 CHADMN COc1cccc([C@H](C)NCc2ccnn2C2CCCC2)c1 ZINC000449091622 1124648661 /nfs/dbraw/zinc/64/86/61/1124648661.db2.gz QTDGKNLCCOMKEW-AWEZNQCLSA-N 0 1 299.418 3.858 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2cccnc2C(F)(F)F)C1 ZINC000528398199 1124652654 /nfs/dbraw/zinc/65/26/54/1124652654.db2.gz YCCZPBKHDKIZRG-GHMZBOCLSA-N 0 1 272.314 3.721 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(C(F)(F)F)nc1)c1ccncc1 ZINC000871936356 1124653638 /nfs/dbraw/zinc/65/36/38/1124653638.db2.gz GOMKZJILAHPCSO-QWRGUYRKSA-N 0 1 295.308 3.907 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cccnc1C(F)(F)F ZINC000528381608 1124653850 /nfs/dbraw/zinc/65/38/50/1124653850.db2.gz NFPXZYJZMCZQRV-LLVKDONJSA-N 0 1 272.314 3.865 20 0 CHADMN CC(C)CCc1cc(=O)n([C@@H]2CCOC3(CCCC3)C2)[nH]1 ZINC000871964338 1124655430 /nfs/dbraw/zinc/65/54/30/1124655430.db2.gz PLYNLCBPMXRXTF-OAHLLOKOSA-N 0 1 292.423 3.503 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccc1)c1cc(O)ccc1F ZINC000872017200 1124656714 /nfs/dbraw/zinc/65/67/14/1124656714.db2.gz WDKQPINUKHMMEN-NWDGAFQWSA-N 0 1 259.324 3.943 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](C)Cc2ccoc2)cs1 ZINC000449157284 1124658353 /nfs/dbraw/zinc/65/83/53/1124658353.db2.gz PUEFMZGGXDAVOE-QWRGUYRKSA-N 0 1 264.394 3.580 20 0 CHADMN Cc1ccccc1CN[C@H](C)c1cc(O)ccc1F ZINC000872018259 1124658342 /nfs/dbraw/zinc/65/83/42/1124658342.db2.gz KOUZRDGBVBEDQR-GFCCVEGCSA-N 0 1 259.324 3.691 20 0 CHADMN Cn1cc(CN[C@@H]2CC(C)(C)Sc3ccccc32)cn1 ZINC000872023553 1124658798 /nfs/dbraw/zinc/65/87/98/1124658798.db2.gz IPXKKTOBJMOQIC-CQSZACIVSA-N 0 1 287.432 3.525 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1cccc(O)c1F)c1ccccc1 ZINC000872023948 1124659113 /nfs/dbraw/zinc/65/91/13/1124659113.db2.gz LTOUVNFNTSUWCZ-LRDDRELGSA-N 0 1 289.350 3.570 20 0 CHADMN CN(Cc1ncccc1Cl)C[C@@H]1CC=CCC1 ZINC000528443431 1124664418 /nfs/dbraw/zinc/66/44/18/1124664418.db2.gz PRWAIDPBBFRQRC-GFCCVEGCSA-N 0 1 250.773 3.523 20 0 CHADMN Clc1cccc2c1C[C@H](N1CCc3occc3C1)CC2 ZINC001170943619 1131275988 /nfs/dbraw/zinc/27/59/88/1131275988.db2.gz MDQTVCXEGABYRW-CQSZACIVSA-N 0 1 287.790 3.849 20 0 CHADMN Cc1cc(CNC(C)(C)c2nc3ccccc3n2C)cs1 ZINC000449247399 1124680806 /nfs/dbraw/zinc/68/08/06/1124680806.db2.gz FYKYGRJJPZRVDA-UHFFFAOYSA-N 0 1 299.443 3.968 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@H]2CC(C)(C)CO2)cs1 ZINC000872105981 1124683751 /nfs/dbraw/zinc/68/37/51/1124683751.db2.gz NXUOKLZXZDRARB-NWDGAFQWSA-N 0 1 282.453 3.732 20 0 CHADMN Fc1ccc([C@@H](NCCC[C@@H]2C=CCC2)c2ncc[nH]2)cc1 ZINC000872107568 1124685186 /nfs/dbraw/zinc/68/51/86/1124685186.db2.gz MUYVDAGVAKRZPR-RHSMWYFYSA-N 0 1 299.393 3.974 20 0 CHADMN COc1cc(F)cc(CN2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000449295912 1124685739 /nfs/dbraw/zinc/68/57/39/1124685739.db2.gz WAWONKYQFNZTDQ-RNCFNFMXSA-N 0 1 291.288 3.607 20 0 CHADMN Cc1cc(CN(C)Cc2cc(C(C)(C)C)[nH]n2)cs1 ZINC000449290825 1124688316 /nfs/dbraw/zinc/68/83/16/1124688316.db2.gz YZULXRWOYOSKGH-UHFFFAOYSA-N 0 1 277.437 3.709 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc3oc(=O)[nH]c3c2)c(C)o1 ZINC000872122933 1124689384 /nfs/dbraw/zinc/68/93/84/1124689384.db2.gz JVQVQPVEEHNLMT-SNVBAGLBSA-N 0 1 286.331 3.594 20 0 CHADMN COc1cc(C)ccc1CN(Cc1cccnc1)C(C)C ZINC000449327611 1124689966 /nfs/dbraw/zinc/68/99/66/1124689966.db2.gz BRJXVYBRKBAHPZ-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN Cc1cc(CN[C@H]2c3ccc(F)cc3O[C@@H]2C)cs1 ZINC000449332342 1124691118 /nfs/dbraw/zinc/69/11/18/1124691118.db2.gz RFEGOWFVYXKBRX-MEBBXXQBSA-N 0 1 277.364 3.807 20 0 CHADMN c1c2cccnc2oc1CN1CCC[C@H]1c1ccncc1 ZINC000449321225 1124693117 /nfs/dbraw/zinc/69/31/17/1124693117.db2.gz ROAZYSHWTKDSOD-INIZCTEOSA-N 0 1 279.343 3.560 20 0 CHADMN c1nc2c(s1)CCC[C@H]2NC1CC(Nc2ccccc2)C1 ZINC000872136160 1124693561 /nfs/dbraw/zinc/69/35/61/1124693561.db2.gz ZRYWIPCDSRBTLK-YMAMQOFZSA-N 0 1 299.443 3.753 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H](C)c1cc2c(s1)CCC2 ZINC000872135683 1124694016 /nfs/dbraw/zinc/69/40/16/1124694016.db2.gz XXTQTRCAGYXVKM-ZYHUDNBSSA-N 0 1 287.432 3.747 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@H+]2CCCC[C@H]2C(=O)[O-])c1 ZINC000872156786 1124695555 /nfs/dbraw/zinc/69/55/55/1124695555.db2.gz DHZXSWQOYRRTII-SFHVURJKSA-N 0 1 297.398 3.896 20 0 CHADMN COCCC1CCN(Cc2nsc3ccccc32)CC1 ZINC000528578619 1124695995 /nfs/dbraw/zinc/69/59/95/1124695995.db2.gz AFCYOVWTCPCNIP-UHFFFAOYSA-N 0 1 290.432 3.545 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1ccncc1F ZINC000449345213 1124696130 /nfs/dbraw/zinc/69/61/30/1124696130.db2.gz URUIKEQJCZMLKQ-UHFFFAOYSA-N 0 1 258.340 3.554 20 0 CHADMN Cc1ccc(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)cc1C(=O)[O-] ZINC000872158721 1124696771 /nfs/dbraw/zinc/69/67/71/1124696771.db2.gz HNBZYIPNNMFXMU-UGSOOPFHSA-N 0 1 287.403 3.705 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872169566 1124697379 /nfs/dbraw/zinc/69/73/79/1124697379.db2.gz QYWKVCMBHNAKNV-HZUKXOBISA-N 0 1 293.794 3.730 20 0 CHADMN C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872169669 1124697747 /nfs/dbraw/zinc/69/77/47/1124697747.db2.gz USFYLIGDXPWESP-XVGQJIODSA-N 0 1 299.414 3.566 20 0 CHADMN Cc1cccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1F ZINC000449335548 1124697787 /nfs/dbraw/zinc/69/77/87/1124697787.db2.gz LCVADOYRFDDOEO-RDJZCZTQSA-N 0 1 289.394 3.668 20 0 CHADMN Clc1cnccc1CN1CCC[C@H](OC2CCC2)CC1 ZINC000872260086 1124699510 /nfs/dbraw/zinc/69/95/10/1124699510.db2.gz OJHRLIZILYDRLL-HNNXBMFYSA-N 0 1 294.826 3.659 20 0 CHADMN Clc1cnc(CNC[C@@H]2CSc3ccccc32)s1 ZINC000449367193 1124701244 /nfs/dbraw/zinc/70/12/44/1124701244.db2.gz UIAZSXMJBACWGB-SECBINFHSA-N 0 1 296.848 3.776 20 0 CHADMN COc1c(O)cccc1CN[C@H](C)c1ccc(F)c(C)c1 ZINC000449373395 1124704444 /nfs/dbraw/zinc/70/44/44/1124704444.db2.gz RAZQSKHLWUCWLF-GFCCVEGCSA-N 0 1 289.350 3.699 20 0 CHADMN c1sc(C2CCCC2)nc1CN[C@]12CCC[C@H]1OCC2 ZINC000872312542 1124704971 /nfs/dbraw/zinc/70/49/71/1124704971.db2.gz VIIKOHVHMNXSLZ-ZBFHGGJFSA-N 0 1 292.448 3.602 20 0 CHADMN Fc1cc(Cl)c2c(c1)CN(C[C@@H]1CCSC1)CC2 ZINC000449372343 1124705175 /nfs/dbraw/zinc/70/51/75/1124705175.db2.gz GNJYLKJPORQDEV-JTQLQIEISA-N 0 1 285.815 3.590 20 0 CHADMN CC[C@@H](N[C@H](C)CCc1cccc(F)c1)C(F)F ZINC000449363307 1124711639 /nfs/dbraw/zinc/71/16/39/1124711639.db2.gz PHIUVBYHTAOLKQ-ZWNOBZJWSA-N 0 1 259.315 3.780 20 0 CHADMN C[C@@H]1C[C@@H](NC(CF)CF)C[C@H](c2ccccc2)C1 ZINC000449382488 1124717712 /nfs/dbraw/zinc/71/77/12/1124717712.db2.gz XDWFFSWSBDKIOZ-NWANDNLSSA-N 0 1 267.363 3.856 20 0 CHADMN C[C@H](CN1CCOC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000449383306 1124717730 /nfs/dbraw/zinc/71/77/30/1124717730.db2.gz GKOJAXYBGTXUAR-NEPJUHHUSA-N 0 1 287.325 3.530 20 0 CHADMN FCC(CF)N[C@H]1CCC[C@@H]1CCc1ccccc1 ZINC000449378891 1124717952 /nfs/dbraw/zinc/71/79/52/1124717952.db2.gz GKHYZFJNLUJCJB-ZBFHGGJFSA-N 0 1 267.363 3.685 20 0 CHADMN Cc1cccc2c1CC[N@@H+](Cc1ccc(N3CCCC3)o1)C2 ZINC001137061537 1124723706 /nfs/dbraw/zinc/72/37/06/1124723706.db2.gz VPNOBYKGAWSLCG-UHFFFAOYSA-N 0 1 296.414 3.747 20 0 CHADMN Cc1cccc2c1CCN(Cc1ccc(N3CCCC3)o1)C2 ZINC001137061537 1124723710 /nfs/dbraw/zinc/72/37/10/1124723710.db2.gz VPNOBYKGAWSLCG-UHFFFAOYSA-N 0 1 296.414 3.747 20 0 CHADMN c1nc(CN2CC[C@H]2C2CC2)sc1-c1ccccc1 ZINC000449429538 1124735318 /nfs/dbraw/zinc/73/53/18/1124735318.db2.gz UTSDCPNPJYZHDY-AWEZNQCLSA-N 0 1 270.401 3.794 20 0 CHADMN CCOc1cccc(F)c1CN[C@@H]1CCC(F)(F)C1 ZINC000873079054 1124735881 /nfs/dbraw/zinc/73/58/81/1124735881.db2.gz CCZSQQKXFSCSRX-SNVBAGLBSA-N 0 1 273.298 3.502 20 0 CHADMN CN(Cc1c(Cl)oc2ccccc21)CC(C)(C)CO ZINC000449417941 1124737174 /nfs/dbraw/zinc/73/71/74/1124737174.db2.gz AQENSPWYSCYOIF-UHFFFAOYSA-N 0 1 281.783 3.537 20 0 CHADMN FC(F)(F)c1cccc(CN2CC[C@H]2C2CC2)c1 ZINC000449430050 1124737481 /nfs/dbraw/zinc/73/74/81/1124737481.db2.gz YWFDIIZGYCVPRX-ZDUSSCGKSA-N 0 1 255.283 3.690 20 0 CHADMN CS[C@H]1CCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000449444701 1124739336 /nfs/dbraw/zinc/73/93/36/1124739336.db2.gz CPDPYKVXCJMBCT-QMMMGPOBSA-N 0 1 281.368 3.704 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN(C)[C@H](CO)c2ccccc2)o1 ZINC000449454639 1124744522 /nfs/dbraw/zinc/74/45/22/1124744522.db2.gz PGTMJDHPXWFQFW-XOKHGSTOSA-N 0 1 285.387 3.568 20 0 CHADMN FCC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000449459053 1124746626 /nfs/dbraw/zinc/74/66/26/1124746626.db2.gz PWDCPUTVLYLGQX-UHFFFAOYSA-N 0 1 275.289 3.887 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1ccc(CC(C)C)cc1 ZINC000873187107 1124746817 /nfs/dbraw/zinc/74/68/17/1124746817.db2.gz LIOANXBPCYNEEL-OAHLLOKOSA-N 0 1 283.419 3.834 20 0 CHADMN CC(C)c1ccc([C@H]2CCCN2Cc2cnc(N)cn2)cc1 ZINC000873207261 1124752903 /nfs/dbraw/zinc/75/29/03/1124752903.db2.gz MGDKLYHBUCJHBL-QGZVFWFLSA-N 0 1 296.418 3.519 20 0 CHADMN CCOc1c(Cl)cccc1CN1CC[C@H](OC)[C@H](C)C1 ZINC000449494516 1124763138 /nfs/dbraw/zinc/76/31/38/1124763138.db2.gz GRHFOPPRCHAEKV-DOMZBBRYSA-N 0 1 297.826 3.596 20 0 CHADMN CC(C)[C@@H]1CN([C@@H]2CCc3cccc(Cl)c3C2)CCO1 ZINC001170946104 1131282442 /nfs/dbraw/zinc/28/24/42/1131282442.db2.gz ZMSGPTAZTJGRDT-PBHICJAKSA-N 0 1 293.838 3.554 20 0 CHADMN CCO[C@@H]1CCN(Cc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000449500166 1124773212 /nfs/dbraw/zinc/77/32/12/1124773212.db2.gz UPRBZKMYZIYRTF-SWLSCSKDSA-N 0 1 297.826 3.596 20 0 CHADMN Cc1nc2cccc(-c3ccc(-c4nnc(C)o4)cc3)c2[nH]1 ZINC001239019769 1131290454 /nfs/dbraw/zinc/29/04/54/1131290454.db2.gz LDAMDXITKNKFTA-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN CC(C)C[C@@H](C)OC(=O)NC[C@H](c1cccs1)N(C)C ZINC000820767355 1131301690 /nfs/dbraw/zinc/30/16/90/1131301690.db2.gz AOKDQUFALZLFQX-CHWSQXEVSA-N 0 1 298.452 3.512 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](c2ccccc2C)C2CC2)on1 ZINC000820810454 1131302190 /nfs/dbraw/zinc/30/21/90/1131302190.db2.gz XDNIOXYSWDYOPM-SJKOYZFVSA-N 0 1 286.375 3.794 20 0 CHADMN COc1cc([C@@H](C)N[C@H](c2ccccc2C)C2CC2)on1 ZINC000820810452 1131302269 /nfs/dbraw/zinc/30/22/69/1131302269.db2.gz XDNIOXYSWDYOPM-PXAZEXFGSA-N 0 1 286.375 3.794 20 0 CHADMN FC(F)(F)c1cccc2c1CN(C[C@@H]1CCCCO1)CC2 ZINC000528791537 1124807925 /nfs/dbraw/zinc/80/79/25/1124807925.db2.gz DJAAUJYEWPMTJN-ZDUSSCGKSA-N 0 1 299.336 3.633 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(Cl)nc2)cc1 ZINC000020264498 1124820406 /nfs/dbraw/zinc/82/04/06/1124820406.db2.gz HGMZTKBEPAFLJD-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN C[C@H](NCCOc1ccccc1Cl)c1ncccc1F ZINC000528823868 1124821188 /nfs/dbraw/zinc/82/11/88/1124821188.db2.gz INVNHNQMXGXCOA-NSHDSACASA-N 0 1 294.757 3.604 20 0 CHADMN C[C@H](N[C@H]1C[C@H]1c1cccc(F)c1)c1ncccc1F ZINC000528824710 1124821309 /nfs/dbraw/zinc/82/13/09/1124821309.db2.gz PVSHAAMVHGZHHM-XEGUGMAKSA-N 0 1 274.314 3.567 20 0 CHADMN Cc1cc(C)c(CNCc2cnc(C3CC3)o2)cc1C ZINC000449698633 1124842981 /nfs/dbraw/zinc/84/29/81/1124842981.db2.gz OHTQPTQIIWYPNY-UHFFFAOYSA-N 0 1 270.376 3.767 20 0 CHADMN Fc1ccc(/C=C\CNCc2cnc(C3CC3)o2)c(F)c1 ZINC000449709251 1124846008 /nfs/dbraw/zinc/84/60/08/1124846008.db2.gz YMKOHWRNYOJHHE-UPHRSURJSA-N 0 1 290.313 3.633 20 0 CHADMN Fc1cccc(CN2CCC[C@]3(CCSC3)C2)c1F ZINC000449732758 1124850900 /nfs/dbraw/zinc/85/09/00/1124850900.db2.gz MQEIYUWTQUKDFV-HNNXBMFYSA-N 0 1 283.387 3.684 20 0 CHADMN Cc1n[nH]cc1CN1CCC[C@@H]1c1ccc(F)cc1C ZINC000449736747 1124854550 /nfs/dbraw/zinc/85/45/50/1124854550.db2.gz XLEHZBBGJQXOFV-MRXNPFEDSA-N 0 1 273.355 3.503 20 0 CHADMN Cc1ccc([O-])c(C[NH2+][C@](C)(Cc2ccccc2)C2CC2)n1 ZINC000449774868 1124867110 /nfs/dbraw/zinc/86/71/10/1124867110.db2.gz LHVQQKSSHFVWLJ-LJQANCHMSA-N 0 1 296.414 3.597 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C[C@@H]3CC[C@@H]4C[C@@H]43)c2C)o1 ZINC000450178172 1124939907 /nfs/dbraw/zinc/93/99/07/1124939907.db2.gz PBTFBKBLMWQHLC-AGIUHOORSA-N 0 1 299.374 3.661 20 0 CHADMN CC(=O)c1ccc(CN(C)CCOc2ccccc2C)cc1 ZINC000450212490 1124946599 /nfs/dbraw/zinc/94/65/99/1124946599.db2.gz SKNSQVBHCVZUCZ-UHFFFAOYSA-N 0 1 297.398 3.708 20 0 CHADMN CCN(Cc1nnc(C2CC2)s1)C1CCCCC1 ZINC000450260604 1124959516 /nfs/dbraw/zinc/95/95/16/1124959516.db2.gz KDVRQSJTGPLOAM-UHFFFAOYSA-N 0 1 265.426 3.570 20 0 CHADMN CCO[C@H](C)c1noc(CN(C(C)C)C2CCCCC2)n1 ZINC000120617888 1124963022 /nfs/dbraw/zinc/96/30/22/1124963022.db2.gz KZDDZPIKQLILBX-CYBMUJFWSA-N 0 1 295.427 3.710 20 0 CHADMN C[C@H](C1CC1)N(Cc1nc(Cl)cs1)C1CC1 ZINC000876599167 1124963451 /nfs/dbraw/zinc/96/34/51/1124963451.db2.gz WJKGKRHNRCWDDG-MRVPVSSYSA-N 0 1 256.802 3.559 20 0 CHADMN C[C@H](NC1CC(F)(F)C1)c1sccc1Br ZINC000389883610 1124973224 /nfs/dbraw/zinc/97/32/24/1124973224.db2.gz PXGYWGTZWAWGAA-LURJTMIESA-N 0 1 296.180 3.959 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1ccc(Cl)nn1 ZINC000876745988 1124975708 /nfs/dbraw/zinc/97/57/08/1124975708.db2.gz NWSUSLFDQFEVLS-GXTWGEPZSA-N 0 1 287.794 3.508 20 0 CHADMN CSC(C)(C)CCN1CCO[C@H](c2ccsc2)C1 ZINC000876778322 1124976518 /nfs/dbraw/zinc/97/65/18/1124976518.db2.gz BHKWTBCORIXEMU-ZDUSSCGKSA-N 0 1 285.478 3.653 20 0 CHADMN O=C(c1cccc(-c2nccc3[nH]ccc32)c1)C(F)(F)F ZINC001239366811 1131322700 /nfs/dbraw/zinc/32/27/00/1131322700.db2.gz RYCSZFGOPBJSFP-UHFFFAOYSA-N 0 1 290.244 3.975 20 0 CHADMN C[C@H](O)C[C@H]1CCCN1Cc1ccsc1C(F)(F)F ZINC000529529417 1124980955 /nfs/dbraw/zinc/98/09/55/1124980955.db2.gz BHPDSAJMXNASIJ-GXSJLCMTSA-N 0 1 293.354 3.502 20 0 CHADMN CN(Cc1ccsc1C(F)(F)F)C[C@H]1CCCCO1 ZINC000529528230 1124981569 /nfs/dbraw/zinc/98/15/69/1124981569.db2.gz XJUCMUXQTWHADH-LLVKDONJSA-N 0 1 293.354 3.768 20 0 CHADMN Cc1cccc(Cl)c1CN1CCC[C@H](n2cccn2)C1 ZINC000450339515 1124986451 /nfs/dbraw/zinc/98/64/51/1124986451.db2.gz ASTKXPCRKBVOAY-AWEZNQCLSA-N 0 1 289.810 3.682 20 0 CHADMN Clc1ccc(Br)c(CNC2CCCC2)n1 ZINC000876886755 1124987184 /nfs/dbraw/zinc/98/71/84/1124987184.db2.gz ZRESLCPXDWCHMU-UHFFFAOYSA-N 0 1 289.604 3.530 20 0 CHADMN C[C@]1(O)CCCN(Cc2ccsc2C(F)(F)F)CC1 ZINC000529555857 1124997784 /nfs/dbraw/zinc/99/77/84/1124997784.db2.gz IEZMKVCPTJGSKH-LBPRGKRZSA-N 0 1 293.354 3.504 20 0 CHADMN Clc1ccc(CN[C@H](c2ccccc2)C2CCC2)nn1 ZINC000877011587 1124998333 /nfs/dbraw/zinc/99/83/33/1124998333.db2.gz HCSVDDCBKKCUAO-MRXNPFEDSA-N 0 1 287.794 3.761 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1nnc(C2CC2)s1 ZINC000450431382 1125022582 /nfs/dbraw/zinc/02/25/82/1125022582.db2.gz YVMJHDXWYKNUGA-YPMHNXCESA-N 0 1 279.453 3.816 20 0 CHADMN CC(C)(C)OCc1cc(CNCC2(C)CCCC2)no1 ZINC000877424255 1125026951 /nfs/dbraw/zinc/02/69/51/1125026951.db2.gz HIYXPBHDUKAXAN-UHFFFAOYSA-N 0 1 280.412 3.660 20 0 CHADMN CN(C)c1ccc(F)cc1CN1CCC[C@@H]1c1ccncc1 ZINC000877522918 1125038023 /nfs/dbraw/zinc/03/80/23/1125038023.db2.gz FHIDWYYNSMCNPY-GOSISDBHSA-N 0 1 299.393 3.624 20 0 CHADMN CC(C)(C)C1CC(NCc2nc(Cl)cs2)C1 ZINC000877551662 1125041765 /nfs/dbraw/zinc/04/17/65/1125041765.db2.gz IZZFTCAMOIORTH-UHFFFAOYSA-N 0 1 258.818 3.711 20 0 CHADMN CCOc1cccc(F)c1CN1CCC(C)(OCC)CC1 ZINC000877544516 1125041842 /nfs/dbraw/zinc/04/18/42/1125041842.db2.gz YQUXHSZQCBTZCX-UHFFFAOYSA-N 0 1 295.398 3.615 20 0 CHADMN CCO[P@@](C)(=O)CC[C@@H](C)Nc1cc2c(cn1)CCC2 ZINC000877552608 1125044195 /nfs/dbraw/zinc/04/41/95/1125044195.db2.gz FDZIETJUQUQAKE-MPBGBICISA-N 0 1 296.351 3.705 20 0 CHADMN O=c1[nH]ccc2oc(CN3CC(C4CCCCC4)C3)cc21 ZINC000877580260 1125047917 /nfs/dbraw/zinc/04/79/17/1125047917.db2.gz JGJIKXKDFYAUKB-UHFFFAOYSA-N 0 1 286.375 3.546 20 0 CHADMN CC[C@H](c1ccccc1)N1CCO[C@H](c2ccco2)C1 ZINC000121137841 1125050375 /nfs/dbraw/zinc/05/03/75/1125050375.db2.gz IYMVLDUMZXYTKA-WBVHZDCISA-N 0 1 271.360 3.804 20 0 CHADMN Cc1cccc(C2(NCc3ccc(Cl)nn3)CCC2)c1 ZINC000877604515 1125051807 /nfs/dbraw/zinc/05/18/07/1125051807.db2.gz CWPKRALFROHCRB-UHFFFAOYSA-N 0 1 287.794 3.607 20 0 CHADMN CSC(C)(C)CCN1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000877640309 1125057638 /nfs/dbraw/zinc/05/76/38/1125057638.db2.gz XKEICKIPRNVPDU-GHMZBOCLSA-N 0 1 299.402 3.560 20 0 CHADMN CC[C@H](NCc1ccc(Cl)nn1)c1cc(C)ccc1C ZINC000877656723 1125059823 /nfs/dbraw/zinc/05/98/23/1125059823.db2.gz ABYXTRSRBYJMIY-HNNXBMFYSA-N 0 1 289.810 3.988 20 0 CHADMN CCOc1cc(F)cc(CN2CCC(SC)CC2)c1 ZINC000877663386 1125061101 /nfs/dbraw/zinc/06/11/01/1125061101.db2.gz QAVZPEGQUYCAQL-UHFFFAOYSA-N 0 1 283.412 3.552 20 0 CHADMN Cc1nc2sccn2c1CN(C)CC1=CCCCC1 ZINC000450589786 1125065694 /nfs/dbraw/zinc/06/56/94/1125065694.db2.gz XWFCQGKSWIYMKU-UHFFFAOYSA-N 0 1 275.421 3.636 20 0 CHADMN Cc1nnc([C@H]2CCCC[N@H+]2CCC2=CCCCC2)[nH]1 ZINC000450606903 1125066197 /nfs/dbraw/zinc/06/61/97/1125066197.db2.gz ABCZNTGSAHTSPB-OAHLLOKOSA-N 0 1 274.412 3.531 20 0 CHADMN Cc1nnc([C@H]2CCCCN2CCC2=CCCCC2)[nH]1 ZINC000450606903 1125066206 /nfs/dbraw/zinc/06/62/06/1125066206.db2.gz ABCZNTGSAHTSPB-OAHLLOKOSA-N 0 1 274.412 3.531 20 0 CHADMN CC(C)(CNCc1ccc(Cl)o1)C(F)(F)F ZINC000390294415 1125066413 /nfs/dbraw/zinc/06/64/13/1125066413.db2.gz ACSOEKNUAAUNAI-UHFFFAOYSA-N 0 1 255.667 3.611 20 0 CHADMN CCC(=O)CCCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000450610516 1125071592 /nfs/dbraw/zinc/07/15/92/1125071592.db2.gz NORAPIJOSPMJMZ-AWEZNQCLSA-N 0 1 295.810 3.552 20 0 CHADMN CCOc1cncc(CN(C)Cc2ccc3cc[nH]c3c2)c1 ZINC000877770560 1125077346 /nfs/dbraw/zinc/07/73/46/1125077346.db2.gz WUTAQDXHYMBYIC-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN C(=C/c1ccccc1)\CCN1CCC[C@@H]1c1ncc[nH]1 ZINC000450653763 1125079724 /nfs/dbraw/zinc/07/97/24/1125079724.db2.gz PWJGARUIOKQYPY-VCIFKONDSA-N 0 1 267.376 3.650 20 0 CHADMN COc1ccc(CN2CC[C@](C)(C(F)(F)F)C2)cc1F ZINC000877813247 1125086336 /nfs/dbraw/zinc/08/63/36/1125086336.db2.gz FVTMTERSYBAMJC-ZDUSSCGKSA-N 0 1 291.288 3.609 20 0 CHADMN Cc1csc([C@@H]2CCN(Cc3cc(F)ccc3F)C2)n1 ZINC000877813048 1125086730 /nfs/dbraw/zinc/08/67/30/1125086730.db2.gz IYVRJFUUDUNUOJ-LLVKDONJSA-N 0 1 294.370 3.719 20 0 CHADMN Cc1cc(CN2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)cs1 ZINC000877820413 1125088559 /nfs/dbraw/zinc/08/85/59/1125088559.db2.gz IWXIHHDFFSKACG-CABZTGNLSA-N 0 1 293.354 3.598 20 0 CHADMN CC(C)(C)c1n[nH]c(SCC(=O)CC(C)(C)C2CC2)n1 ZINC000450766179 1125099582 /nfs/dbraw/zinc/09/95/82/1125099582.db2.gz SLUDHGJYDBUGLG-UHFFFAOYSA-N 0 1 295.452 3.590 20 0 CHADMN CC(C)(C)c1nc(SCC(=O)CC(C)(C)C2CC2)n[nH]1 ZINC000450766179 1125099591 /nfs/dbraw/zinc/09/95/91/1125099591.db2.gz SLUDHGJYDBUGLG-UHFFFAOYSA-N 0 1 295.452 3.590 20 0 CHADMN C[C@@H]1c2cccn2CCN1CC[C@@H]1CCCC1(F)F ZINC000877922223 1125102548 /nfs/dbraw/zinc/10/25/48/1125102548.db2.gz AWNPXEBCJSQSOO-OLZOCXBDSA-N 0 1 268.351 3.690 20 0 CHADMN Cc1cc([C@H]2CCCN2CC[C@H]2CCCC2(F)F)no1 ZINC000877922359 1125103122 /nfs/dbraw/zinc/10/31/22/1125103122.db2.gz RLNWRLUVCMACIG-TZMCWYRMSA-N 0 1 284.350 3.945 20 0 CHADMN CC(C)(C)c1n[nH]c(SC[C@H]2CCCC2(F)F)n1 ZINC000450758938 1125103367 /nfs/dbraw/zinc/10/33/67/1125103367.db2.gz JVEIGLFHONQCSP-MRVPVSSYSA-N 0 1 275.368 3.630 20 0 CHADMN CC(C)(C)c1nc(SC[C@H]2CCCC2(F)F)n[nH]1 ZINC000450758938 1125103369 /nfs/dbraw/zinc/10/33/69/1125103369.db2.gz JVEIGLFHONQCSP-MRVPVSSYSA-N 0 1 275.368 3.630 20 0 CHADMN COc1ccccc1-c1nc(C[N@H+]2CCC[C@H](C)C2)co1 ZINC000877934246 1125104650 /nfs/dbraw/zinc/10/46/50/1125104650.db2.gz GNUIMOSHGTVRGE-ZDUSSCGKSA-N 0 1 286.375 3.582 20 0 CHADMN COc1ccccc1-c1nc(CN2CCC[C@H](C)C2)co1 ZINC000877934246 1125104653 /nfs/dbraw/zinc/10/46/53/1125104653.db2.gz GNUIMOSHGTVRGE-ZDUSSCGKSA-N 0 1 286.375 3.582 20 0 CHADMN CCC[C@@H](C)N(C)Cc1coc(-c2ccccc2OC)n1 ZINC000877954383 1125105491 /nfs/dbraw/zinc/10/54/91/1125105491.db2.gz XBLNVLOMQROQFD-CYBMUJFWSA-N 0 1 288.391 3.971 20 0 CHADMN CN1Cc2ccc(NCC3=Cc4ccccc4OC3)cc2C1 ZINC000121302967 1125106566 /nfs/dbraw/zinc/10/65/66/1125106566.db2.gz VEUGVZAKWZXLFR-UHFFFAOYSA-N 0 1 292.382 3.520 20 0 CHADMN COc1ccccc1-c1nc(CN(C(C)C)C2CC2)co1 ZINC000877965071 1125106886 /nfs/dbraw/zinc/10/68/86/1125106886.db2.gz RVLNSFOAYKFSAO-UHFFFAOYSA-N 0 1 286.375 3.723 20 0 CHADMN COc1ccccc1-c1nc(CN(C)CCC(C)C)co1 ZINC000877974810 1125108315 /nfs/dbraw/zinc/10/83/15/1125108315.db2.gz HDXFSCIYFZKODO-UHFFFAOYSA-N 0 1 288.391 3.828 20 0 CHADMN Cc1cc(C)c(NC(=O)CN(C)CCCC2CC2)c(C)c1 ZINC000877995803 1125110081 /nfs/dbraw/zinc/11/00/81/1125110081.db2.gz KLWFZUFDPLDZPH-UHFFFAOYSA-N 0 1 288.435 3.672 20 0 CHADMN CCCN(Cc1coc(-c2ccccc2OC)n1)C1CC1 ZINC000878054819 1125115502 /nfs/dbraw/zinc/11/55/02/1125115502.db2.gz JPBAOHLTMXTIIL-UHFFFAOYSA-N 0 1 286.375 3.725 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1nccn1CC(F)F)C1CC1 ZINC000878057476 1125116083 /nfs/dbraw/zinc/11/60/83/1125116083.db2.gz MCWUGXRFTYVRAY-NWDGAFQWSA-N 0 1 285.382 3.547 20 0 CHADMN Cc1conc1C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000878140913 1125123477 /nfs/dbraw/zinc/12/34/77/1125123477.db2.gz AXHIGJARDCWKLJ-AWEZNQCLSA-N 0 1 288.416 3.597 20 0 CHADMN Cc1conc1CN1CC[C@H](CSc2ccccc2)C1 ZINC000878140913 1125123481 /nfs/dbraw/zinc/12/34/81/1125123481.db2.gz AXHIGJARDCWKLJ-AWEZNQCLSA-N 0 1 288.416 3.597 20 0 CHADMN Fc1cccc([C@@H]2CCN2C[C@@H]2C[C@H]3CCC[C@H]3O2)c1 ZINC000878166401 1125127422 /nfs/dbraw/zinc/12/74/22/1125127422.db2.gz UEQYZXQAQLWEJW-BSWAZPDLSA-N 0 1 275.367 3.530 20 0 CHADMN Cc1cccc(CN(C)C[C@H]2CC[C@H](c3ccccc3)O2)n1 ZINC000878254877 1125135641 /nfs/dbraw/zinc/13/56/41/1125135641.db2.gz IPPPLMDHZZMRDR-RTBURBONSA-N 0 1 296.414 3.742 20 0 CHADMN CC[C@](C)(NC[C@@H]1CCC2(CCCC2)O1)c1nccs1 ZINC000530358594 1125145661 /nfs/dbraw/zinc/14/56/61/1125145661.db2.gz ZGZAVVUIKYIDLU-ZFWWWQNUSA-N 0 1 294.464 3.850 20 0 CHADMN Cc1cnc(C(C)(C)NC[C@H]2CCCC(C)(C)O2)s1 ZINC000878417586 1125151373 /nfs/dbraw/zinc/15/13/73/1125151373.db2.gz OESHJOLCKIXNBQ-GFCCVEGCSA-N 0 1 282.453 3.624 20 0 CHADMN Cc1csc(C2(NC[C@@H]3CCC(C)(C)CO3)CCC2)n1 ZINC000878417349 1125151813 /nfs/dbraw/zinc/15/18/13/1125151813.db2.gz KRKGOHLOWIZWRO-ZDUSSCGKSA-N 0 1 294.464 3.626 20 0 CHADMN C=C/C=C\CCN[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000878426309 1125153471 /nfs/dbraw/zinc/15/34/71/1125153471.db2.gz XWRCMYVFUNOAMI-CFHLNLSMSA-N 0 1 299.374 3.528 20 0 CHADMN C[C@H](N(C)Cc1nc(C2CCCCC2)cs1)C(C)(C)O ZINC000451363202 1125155522 /nfs/dbraw/zinc/15/55/22/1125155522.db2.gz AZWAEFYDUWPVIF-LBPRGKRZSA-N 0 1 296.480 3.782 20 0 CHADMN C[C@H](C1CCCCC1)N(C)Cc1nccn1CC(F)F ZINC000878565628 1125163234 /nfs/dbraw/zinc/16/32/34/1125163234.db2.gz MYVYVCPSYKHDGW-GFCCVEGCSA-N 0 1 285.382 3.549 20 0 CHADMN CC(C)(C)Oc1ccc([C@@H]2CCN(Cc3cc[nH]n3)C2)cc1 ZINC001137133677 1125164189 /nfs/dbraw/zinc/16/41/89/1125164189.db2.gz PBWUFQZHKNTAML-OAHLLOKOSA-N 0 1 299.418 3.577 20 0 CHADMN Cc1ccc(CN2CCC[C@@]3(CCSC3)C2)nc1Cl ZINC000878690118 1125171680 /nfs/dbraw/zinc/17/16/80/1125171680.db2.gz RLORZQDMERDBEO-OAHLLOKOSA-N 0 1 296.867 3.763 20 0 CHADMN Cc1ccc(CN(C)C[C@@H]2CC[C@H](c3ccccc3)O2)nc1 ZINC000878669265 1125172245 /nfs/dbraw/zinc/17/22/45/1125172245.db2.gz XDOINPVWQMJRLP-RBUKOAKNSA-N 0 1 296.414 3.742 20 0 CHADMN C[C@]1(CCc2ccccc2)CCN(Cc2ccon2)C1 ZINC000530725427 1125175787 /nfs/dbraw/zinc/17/57/87/1125175787.db2.gz IQZALXGOZPTETR-KRWDZBQOSA-N 0 1 270.376 3.519 20 0 CHADMN Clc1ncccc1CN1CCC[C@H](c2cccnc2)C1 ZINC000878753142 1125177154 /nfs/dbraw/zinc/17/71/54/1125177154.db2.gz HNHSSIBMMAZVIB-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN C[C@H]1C[C@H](N(C)Cc2c(Cl)cccc2Cl)CCO1 ZINC001168133002 1125177501 /nfs/dbraw/zinc/17/75/01/1125177501.db2.gz USGYHBSWWUNKSY-WDEREUQCSA-N 0 1 288.218 3.993 20 0 CHADMN COc1ccccc1-c1nc(CN(C)C(C)(C)C)co1 ZINC000878770241 1125178195 /nfs/dbraw/zinc/17/81/95/1125178195.db2.gz UVXILWOIFDASMI-UHFFFAOYSA-N 0 1 274.364 3.581 20 0 CHADMN C[C@H]1CN(Cc2cccs2)C[C@H](c2ccccc2)O1 ZINC000122165261 1125178238 /nfs/dbraw/zinc/17/82/38/1125178238.db2.gz ZDYYVBSXIAZAFH-XJKSGUPXSA-N 0 1 273.401 3.710 20 0 CHADMN CC[C@H](C)CN(C)CC(=O)Nc1ccc(Cl)cc1C ZINC000530870882 1125184005 /nfs/dbraw/zinc/18/40/05/1125184005.db2.gz GJWYGZOREDGPHW-NSHDSACASA-N 0 1 282.815 3.565 20 0 CHADMN Cc1ccc(CN(Cc2cccc(F)c2)C2CC2)cn1 ZINC000122383493 1125188609 /nfs/dbraw/zinc/18/86/09/1125188609.db2.gz FGAOVTLCYIIAAQ-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN c1cc(C2CCCCC2)ccc1SCc1nn[nH]n1 ZINC000530960913 1125189267 /nfs/dbraw/zinc/18/92/67/1125189267.db2.gz CHUSNDGENXUZJC-UHFFFAOYSA-N 0 1 274.393 3.540 20 0 CHADMN CC1(C)C[N@@H+](C[C@@H]2CCC3(CCC3)O2)[C@H]1c1ccncc1 ZINC000879009962 1125191585 /nfs/dbraw/zinc/19/15/85/1125191585.db2.gz MYZFRKJQZMCDOG-HOTGVXAUSA-N 0 1 286.419 3.566 20 0 CHADMN CC1(C)CN(C[C@@H]2CCC3(CCC3)O2)[C@H]1c1ccncc1 ZINC000879009962 1125191587 /nfs/dbraw/zinc/19/15/87/1125191587.db2.gz MYZFRKJQZMCDOG-HOTGVXAUSA-N 0 1 286.419 3.566 20 0 CHADMN CC1(C)C[N@@H+](C[C@H]2CCC3(CCC3)O2)[C@H]1c1cccnc1 ZINC000879009646 1125191905 /nfs/dbraw/zinc/19/19/05/1125191905.db2.gz CGAUURLTVOPDTL-CVEARBPZSA-N 0 1 286.419 3.566 20 0 CHADMN CC1(C)CN(C[C@H]2CCC3(CCC3)O2)[C@H]1c1cccnc1 ZINC000879009646 1125191906 /nfs/dbraw/zinc/19/19/06/1125191906.db2.gz CGAUURLTVOPDTL-CVEARBPZSA-N 0 1 286.419 3.566 20 0 CHADMN COc1c(C)cc(CN(C)Cc2ccc(C)nc2)cc1C ZINC000122516932 1125192051 /nfs/dbraw/zinc/19/20/51/1125192051.db2.gz URYCINVVOBQJGP-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN COc1cccc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1F ZINC000628392098 1125199245 /nfs/dbraw/zinc/19/92/45/1125199245.db2.gz KKTFWPDONPEWIJ-PHIMTYICSA-N 0 1 287.325 3.557 20 0 CHADMN COc1ccc(C)cc1CN1CCC[C@H]1c1ccccn1 ZINC000531440712 1125219832 /nfs/dbraw/zinc/21/98/32/1125219832.db2.gz VDJQALKNDYSTNV-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN COc1ccc(CN2CCS[C@H]3CCCC[C@H]32)cc1F ZINC000531470240 1125222111 /nfs/dbraw/zinc/22/21/11/1125222111.db2.gz MQGATKHIGOCZMJ-ZBFHGGJFSA-N 0 1 295.423 3.694 20 0 CHADMN Cc1cnc(CN2CC[C@@H](c3ccccc3F)C2(C)C)o1 ZINC000879639419 1125222598 /nfs/dbraw/zinc/22/25/98/1125222598.db2.gz WSFOJPZHTSBNNJ-AWEZNQCLSA-N 0 1 288.366 3.890 20 0 CHADMN CCc1noc(C)c1CN1CCC[C@@H]1c1cncc(C)c1 ZINC000879750998 1125231896 /nfs/dbraw/zinc/23/18/96/1125231896.db2.gz YUYOOCQJNBQDOP-QGZVFWFLSA-N 0 1 285.391 3.586 20 0 CHADMN OC(=NOC1CCCCC1)N=c1s[nH]c2ccccc21 ZINC000879823012 1125235674 /nfs/dbraw/zinc/23/56/74/1125235674.db2.gz KXXZNQGGUHNOHR-UHFFFAOYSA-N 0 1 291.376 3.682 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@H](C(C)(C)O)C1 ZINC000879961199 1125241578 /nfs/dbraw/zinc/24/15/78/1125241578.db2.gz AWOUTUTULVPTIW-QWHCGFSZSA-N 0 1 294.439 3.516 20 0 CHADMN c1cc([C@@H]2CN(CC3CCCCC3)CCO2)cs1 ZINC000532344304 1125249537 /nfs/dbraw/zinc/24/95/37/1125249537.db2.gz UFSKNQJNWOMMGH-HNNXBMFYSA-N 0 1 265.422 3.702 20 0 CHADMN FC[C@H]1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000880291273 1125261726 /nfs/dbraw/zinc/26/17/26/1125261726.db2.gz KQAQPPONTNEIBC-LLVKDONJSA-N 0 1 294.757 3.786 20 0 CHADMN Cc1nc(CN2CCC[C@]2(C)c2ccccc2)oc1C ZINC000880371296 1125267911 /nfs/dbraw/zinc/26/79/11/1125267911.db2.gz FCRXKQGEWXYDFS-QGZVFWFLSA-N 0 1 270.376 3.803 20 0 CHADMN Cc1ccncc1CN1CCc2ccsc2[C@H]1C ZINC000880376288 1125269368 /nfs/dbraw/zinc/26/93/68/1125269368.db2.gz FKRCBCYFEWYIIF-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1nc(C)c(C)s1 ZINC000177776159 1125280384 /nfs/dbraw/zinc/28/03/84/1125280384.db2.gz XUJHBSKPYIUJTO-SNVBAGLBSA-N 0 1 272.483 3.723 20 0 CHADMN C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000475733755 1125282529 /nfs/dbraw/zinc/28/25/29/1125282529.db2.gz VGBFSEXDUIKWQC-FRRDWIJNSA-N 0 1 293.382 3.559 20 0 CHADMN CC(C)n1cc(CN2CC=C(c3ccccc3)CC2)cn1 ZINC000179544125 1125285449 /nfs/dbraw/zinc/28/54/49/1125285449.db2.gz NVOGUDITEACPHU-UHFFFAOYSA-N 0 1 281.403 3.753 20 0 CHADMN CCc1oc2ccccc2c1CN(C)Cc1cccc(=O)[nH]1 ZINC000897392944 1125289871 /nfs/dbraw/zinc/28/98/71/1125289871.db2.gz VGHDCQAZDRHNMN-UHFFFAOYSA-N 0 1 296.370 3.728 20 0 CHADMN COc1cccc2c1OCC[C@@H]2NCc1csc(C)c1 ZINC000648452640 1125299267 /nfs/dbraw/zinc/29/92/67/1125299267.db2.gz AFBPGQCMTHXQQU-AWEZNQCLSA-N 0 1 289.400 3.679 20 0 CHADMN CN(Cc1csc2ccccc12)Cc1ccnc(N)c1 ZINC000191437888 1125325371 /nfs/dbraw/zinc/32/53/71/1125325371.db2.gz JBLDIGCQLLJWHV-UHFFFAOYSA-N 0 1 283.400 3.511 20 0 CHADMN CC(C)n1cc(CNCc2ccc(C3CC3)cc2)cn1 ZINC000191684640 1125327654 /nfs/dbraw/zinc/32/76/54/1125327654.db2.gz QYQZJSOHBOYYCC-UHFFFAOYSA-N 0 1 269.392 3.631 20 0 CHADMN Cc1cccc([C@@H]2CCCCC[N@H+]2Cc2ncccn2)c1 ZINC000192031111 1125330400 /nfs/dbraw/zinc/33/04/00/1125330400.db2.gz DLGRLNZJOSVBAG-KRWDZBQOSA-N 0 1 281.403 3.902 20 0 CHADMN Cc1cccc([C@@H]2CCCCCN2Cc2ncccn2)c1 ZINC000192031111 1125330402 /nfs/dbraw/zinc/33/04/02/1125330402.db2.gz DLGRLNZJOSVBAG-KRWDZBQOSA-N 0 1 281.403 3.902 20 0 CHADMN F[C@H]1CN(Cc2cccc3cccnc32)CCCC1(F)F ZINC001137171956 1125331093 /nfs/dbraw/zinc/33/10/93/1125331093.db2.gz LBTARVXMVVNDKT-AWEZNQCLSA-N 0 1 294.320 3.804 20 0 CHADMN C[C@@]1(F)CCN(Cc2cccc3cccnc32)C[C@H]1F ZINC001137171977 1125331360 /nfs/dbraw/zinc/33/13/60/1125331360.db2.gz MHWWEFLUQKAZDS-GDBMZVCRSA-N 0 1 276.330 3.507 20 0 CHADMN Fc1nc2nc[nH]c2c(-c2ccccc2-c2ccccc2)n1 ZINC001239504949 1131352667 /nfs/dbraw/zinc/35/26/67/1131352667.db2.gz OVADECZAEKSWFT-UHFFFAOYSA-N 0 1 290.301 3.778 20 0 CHADMN Cc1cccc(CCN2CC(C)(C)[C@@H]2c2ccco2)n1 ZINC000639930782 1125341755 /nfs/dbraw/zinc/34/17/55/1125341755.db2.gz ZPXFLCAFTHRSMD-INIZCTEOSA-N 0 1 270.376 3.609 20 0 CHADMN C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)c1ccc2c(c1)OCO2 ZINC000237669958 1125354565 /nfs/dbraw/zinc/35/45/65/1125354565.db2.gz BIBIHGIDJVKBOE-SLEUVZQESA-N 0 1 299.370 3.983 20 0 CHADMN Clc1csc(CNCc2cnn(CC3CCC3)c2)c1 ZINC000897432601 1125357666 /nfs/dbraw/zinc/35/76/66/1125357666.db2.gz OVRGFKPAHWWAKB-UHFFFAOYSA-N 0 1 295.839 3.688 20 0 CHADMN C[C@@H](Oc1nnc2c[nH]ccc1-2)c1ccccc1Cl ZINC001228997103 1125358792 /nfs/dbraw/zinc/35/87/92/1125358792.db2.gz XIZNRRXCHBSAGT-SECBINFHSA-N 0 1 273.723 3.751 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000213433652 1125361211 /nfs/dbraw/zinc/36/12/11/1125361211.db2.gz BOPFNQAMSMKOLQ-HNNXBMFYSA-N 0 1 261.365 3.539 20 0 CHADMN CC(C)[C@@]1(C)C[C@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000350305461 1125362397 /nfs/dbraw/zinc/36/23/97/1125362397.db2.gz ZELBPDOTDRGOPB-XJKSGUPXSA-N 0 1 282.347 3.534 20 0 CHADMN CC(C)[C@]1(C)C[C@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000350305455 1125362587 /nfs/dbraw/zinc/36/25/87/1125362587.db2.gz ZELBPDOTDRGOPB-BBRMVZONSA-N 0 1 282.347 3.534 20 0 CHADMN CC(C)[C@H]1COCC[N@H+]1[C@@H](C)Cc1ccc(Cl)cc1 ZINC001168189638 1125366566 /nfs/dbraw/zinc/36/65/66/1125366566.db2.gz UDMIXCAKGRPBKH-XJKSGUPXSA-N 0 1 281.827 3.628 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1nc(C(C)C)c[nH]1)[C@@H](C)C2 ZINC000883084950 1125371768 /nfs/dbraw/zinc/37/17/68/1125371768.db2.gz FYZOYYOGJDSNKV-SCLBCKFNSA-N 0 1 283.419 3.865 20 0 CHADMN CC[C@@H](NCc1c(C)nn(C)c1C)c1sccc1Cl ZINC000883183195 1125375245 /nfs/dbraw/zinc/37/52/45/1125375245.db2.gz VKGDHXJLBRKULF-CYBMUJFWSA-N 0 1 297.855 3.993 20 0 CHADMN CC[C@H](N[C@H](C)c1cn[nH]c1)c1sccc1Cl ZINC000883208898 1125378035 /nfs/dbraw/zinc/37/80/35/1125378035.db2.gz QHPFFEUHQNIVIY-KCJUWKMLSA-N 0 1 269.801 3.927 20 0 CHADMN CCSc1ccc(CNCc2ccc(COC)o2)cc1 ZINC000883235540 1125381880 /nfs/dbraw/zinc/38/18/80/1125381880.db2.gz FPLJLDPCHFBEKI-UHFFFAOYSA-N 0 1 291.416 3.828 20 0 CHADMN C/C=C/C[C@@H]1CCCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000626162171 1125382179 /nfs/dbraw/zinc/38/21/79/1125382179.db2.gz PRGLJAFOGMWGSQ-YWVDXFKGSA-N 0 1 287.363 3.508 20 0 CHADMN CCc1nocc1CN1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000508659011 1125382430 /nfs/dbraw/zinc/38/24/30/1125382430.db2.gz CHPQKSUZJYVDPW-SJKOYZFVSA-N 0 1 288.366 3.959 20 0 CHADMN CC1(CN[C@@H](c2ncc[nH]2)c2ccccc2)CC(F)(F)C1 ZINC000883256430 1125385713 /nfs/dbraw/zinc/38/57/13/1125385713.db2.gz XNIDMRXTGKOMEH-CYBMUJFWSA-N 0 1 291.345 3.524 20 0 CHADMN COc1ccc(C2CC2)cc1CNCc1ccsc1 ZINC000883259027 1125386796 /nfs/dbraw/zinc/38/67/96/1125386796.db2.gz YOOIMCSRSKUEAO-UHFFFAOYSA-N 0 1 273.401 3.924 20 0 CHADMN C[C@H](Cc1ccsc1)NCc1ncc(Cl)s1 ZINC000225327281 1125387960 /nfs/dbraw/zinc/38/79/60/1125387960.db2.gz HCUGOGKYPGKSLF-MRVPVSSYSA-N 0 1 272.826 3.579 20 0 CHADMN CC(C)N(CC(=O)OC(C)(C)C)CC1CC2(CCC2)C1 ZINC001168200170 1125391655 /nfs/dbraw/zinc/39/16/55/1125391655.db2.gz GCQDTXYHNRSUHS-UHFFFAOYSA-N 0 1 281.440 3.619 20 0 CHADMN Cc1ccc(CNCc2ccc(C)nc2Cl)s1 ZINC000883291786 1125392227 /nfs/dbraw/zinc/39/22/27/1125392227.db2.gz RLEJQCTYUQOSDX-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN Cc1cccc(CC[C@H](C)NC2(c3ncccn3)CCC2)c1 ZINC000883314082 1125394529 /nfs/dbraw/zinc/39/45/29/1125394529.db2.gz VFOBOTFIMFNPLQ-INIZCTEOSA-N 0 1 295.430 3.775 20 0 CHADMN CCCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000532468857 1125397900 /nfs/dbraw/zinc/39/79/00/1125397900.db2.gz JQOQVHYFQRJMQG-HNNXBMFYSA-N 0 1 290.451 3.547 20 0 CHADMN CCCCNC(=O)[C@H](C)N(C)Cc1ccc(C(C)C)cc1 ZINC000532468857 1125397903 /nfs/dbraw/zinc/39/79/03/1125397903.db2.gz JQOQVHYFQRJMQG-HNNXBMFYSA-N 0 1 290.451 3.547 20 0 CHADMN CC(C)CC[N@@H+](Cc1cnc(C(C)(C)C)nc1)C1CC1 ZINC000342796969 1125405979 /nfs/dbraw/zinc/40/59/79/1125405979.db2.gz MCKHHLUIDWWLQR-UHFFFAOYSA-N 0 1 275.440 3.785 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H](C)C3)n[nH]2)cc1 ZINC000475844387 1125406965 /nfs/dbraw/zinc/40/69/65/1125406965.db2.gz DFDQJCJGKORNFZ-CQSZACIVSA-N 0 1 297.402 3.647 20 0 CHADMN COc1cc2c(cc1CN(C)Cc1ccccc1)O[C@H](C)C2 ZINC000532497420 1125408502 /nfs/dbraw/zinc/40/85/02/1125408502.db2.gz FHWFORVQVAWNSM-CQSZACIVSA-N 0 1 297.398 3.651 20 0 CHADMN C[C@@H](CN(C)[C@@H](C)C(=O)Nc1ccccc1)c1ccccc1 ZINC000532518488 1125409216 /nfs/dbraw/zinc/40/92/16/1125409216.db2.gz DWSZSLRGNWJVMW-HOTGVXAUSA-N 0 1 296.414 3.749 20 0 CHADMN C[C@@H](NCc1ccc(F)cc1)c1ccnc(Cl)c1 ZINC000131789228 1125410530 /nfs/dbraw/zinc/41/05/30/1125410530.db2.gz IJTKDPWQBQFLQE-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN CCCO[C@H]1CCCN(Cc2csc(CCC)n2)CC1 ZINC000108493699 1125413703 /nfs/dbraw/zinc/41/37/03/1125413703.db2.gz MRDVGRBVDCNLPK-HNNXBMFYSA-N 0 1 296.480 3.877 20 0 CHADMN Cc1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)cc1F ZINC000029002000 1125416371 /nfs/dbraw/zinc/41/63/71/1125416371.db2.gz OXMJLXKONLZYAP-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN Cc1ccc(CNCc2ccc(Cl)cc2)nc1C ZINC000314812378 1125417474 /nfs/dbraw/zinc/41/74/74/1125417474.db2.gz PPOMRMVTTAHHNW-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN CC(C)(C)OCCNC1(c2c(F)cccc2F)CCC1 ZINC000626178361 1125419684 /nfs/dbraw/zinc/41/96/84/1125419684.db2.gz REYVCFLAERROCT-UHFFFAOYSA-N 0 1 283.362 3.749 20 0 CHADMN CC1CCC([N@H+]2Cc3cnc(Cl)cc3C2)CC1 ZINC001168224389 1125420593 /nfs/dbraw/zinc/42/05/93/1125420593.db2.gz NLONUQWVANNMPS-UHFFFAOYSA-N 0 1 250.773 3.629 20 0 CHADMN CC1CCC(N2Cc3cnc(Cl)cc3C2)CC1 ZINC001168224389 1125420595 /nfs/dbraw/zinc/42/05/95/1125420595.db2.gz NLONUQWVANNMPS-UHFFFAOYSA-N 0 1 250.773 3.629 20 0 CHADMN CO[C@@]1(C)CCCN([C@@H](C)c2cc(F)ccc2F)C1 ZINC000348231754 1125422229 /nfs/dbraw/zinc/42/22/29/1125422229.db2.gz PKCNLSGIIQSKKQ-NHYWBVRUSA-N 0 1 269.335 3.527 20 0 CHADMN CC[C@H](C)CN1CCN(c2ccc(F)cc2Cl)CC1 ZINC001168243567 1125428118 /nfs/dbraw/zinc/42/81/18/1125428118.db2.gz GKGLHWDBUUKMNW-LBPRGKRZSA-N 0 1 284.806 3.647 20 0 CHADMN F[C@H]1CN(Cc2cccc3ncccc23)CCCC1(F)F ZINC001137624436 1125429278 /nfs/dbraw/zinc/42/92/78/1125429278.db2.gz OTKGRTBSTMYGFH-HNNXBMFYSA-N 0 1 294.320 3.804 20 0 CHADMN Cc1cc(C)c([C@@H](C)N(C)Cc2cnccn2)c(C)c1 ZINC000532633215 1125429608 /nfs/dbraw/zinc/42/96/08/1125429608.db2.gz XXVZRGIZENXZLV-OAHLLOKOSA-N 0 1 269.392 3.595 20 0 CHADMN CC[C@H](NC)c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000133027972 1125429877 /nfs/dbraw/zinc/42/98/77/1125429877.db2.gz RMXIIESMWGYHIB-JTQLQIEISA-N 0 1 286.162 3.714 20 0 CHADMN CC[C@@H](NC)c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000133028188 1125429972 /nfs/dbraw/zinc/42/99/72/1125429972.db2.gz RMXIIESMWGYHIB-SNVBAGLBSA-N 0 1 286.162 3.714 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(F)cc1O ZINC000123825562 1125432673 /nfs/dbraw/zinc/43/26/73/1125432673.db2.gz JJMIZXNRSZXCGJ-GXTWGEPZSA-N 0 1 299.345 3.550 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2cccc(N(C)C)c2)o1 ZINC000105434688 1125435718 /nfs/dbraw/zinc/43/57/18/1125435718.db2.gz HDCAEYSABMECIL-DYVFJYSZSA-N 0 1 284.403 3.759 20 0 CHADMN Cc1noc(C[N@H+]2CCCC[C@H]2CCCc2ccccc2)n1 ZINC000125059359 1125443964 /nfs/dbraw/zinc/44/39/64/1125443964.db2.gz YDAWWVMBQKASOM-KRWDZBQOSA-N 0 1 299.418 3.755 20 0 CHADMN Cc1noc(CN2CCCC[C@H]2CCCc2ccccc2)n1 ZINC000125059359 1125443966 /nfs/dbraw/zinc/44/39/66/1125443966.db2.gz YDAWWVMBQKASOM-KRWDZBQOSA-N 0 1 299.418 3.755 20 0 CHADMN CCS[C@H]1CCCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000125139701 1125445116 /nfs/dbraw/zinc/44/51/16/1125445116.db2.gz YMDJHVVHUXHXPK-ZDUSSCGKSA-N 0 1 289.448 3.671 20 0 CHADMN Cc1ncccc1CN(Cc1ccccc1)C1CC1 ZINC000125434911 1125448407 /nfs/dbraw/zinc/44/84/07/1125448407.db2.gz YWPJASLOWPZSNK-UHFFFAOYSA-N 0 1 252.361 3.555 20 0 CHADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000227175825 1125449600 /nfs/dbraw/zinc/44/96/00/1125449600.db2.gz BFMCZLFSKXPFMR-BLLLJJGKSA-N 0 1 291.366 3.679 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN(C)CCOC(C)(C)C)o1 ZINC000621729924 1129187816 /nfs/dbraw/zinc/18/78/16/1129187816.db2.gz GTKGGCUPIOJDKP-JSGCOSHPSA-N 0 1 265.397 3.650 20 0 CHADMN CC(C)(C)c1ncc(CN2CC(CC3CC3)C2)s1 ZINC000621740261 1129189363 /nfs/dbraw/zinc/18/93/63/1129189363.db2.gz GWHQHINONBUTML-UHFFFAOYSA-N 0 1 264.438 3.673 20 0 CHADMN c1cc(CC2CN(Cc3cc4cccnc4o3)C2)cs1 ZINC000621741094 1129189451 /nfs/dbraw/zinc/18/94/51/1129189451.db2.gz BFEAVLLKAPLPAE-UHFFFAOYSA-N 0 1 284.384 3.564 20 0 CHADMN Cc1cc(CN2CC(Cc3ccsc3)C2)cs1 ZINC000621741308 1129190691 /nfs/dbraw/zinc/19/06/91/1129190691.db2.gz LYNXZBWJXSPZJL-UHFFFAOYSA-N 0 1 263.431 3.793 20 0 CHADMN Fc1ccccc1[C@@H](NCc1c[nH]cn1)C1CCCC1 ZINC000088765542 1129209609 /nfs/dbraw/zinc/20/96/09/1129209609.db2.gz UMIZCAKGSKOIPN-INIZCTEOSA-N 0 1 273.355 3.570 20 0 CHADMN CC1=CC[C@@](C)(C(=O)Nc2cccc(-c3cn[nH]n3)c2)CC1 ZINC000621949945 1129209683 /nfs/dbraw/zinc/20/96/83/1129209683.db2.gz ADZYCHQZAOIWGG-QGZVFWFLSA-N 0 1 296.374 3.547 20 0 CHADMN C[C@@H](N[C@@H]1CCn2ccnc21)c1cccc2ccccc21 ZINC000294207427 1129214092 /nfs/dbraw/zinc/21/40/92/1129214092.db2.gz TZPIMDPTIGSNHZ-CXAGYDPISA-N 0 1 277.371 3.832 20 0 CHADMN CCCCC[C@H](NCc1cnns1)c1ccccc1 ZINC000296409360 1129222844 /nfs/dbraw/zinc/22/28/44/1129222844.db2.gz WNCSXVYJBCDSLB-HNNXBMFYSA-N 0 1 275.421 3.949 20 0 CHADMN CC(C)c1cccc(CN[C@@H](CO)c2ccc(F)cc2)c1 ZINC000660236825 1129227781 /nfs/dbraw/zinc/22/77/81/1129227781.db2.gz SFJKIQWPOGPARM-SFHVURJKSA-N 0 1 287.378 3.772 20 0 CHADMN CN([C@@H](c1nccn1C)C1CC1)[C@@H]1CCCc2ccccc21 ZINC000637869398 1129233386 /nfs/dbraw/zinc/23/33/86/1129233386.db2.gz VEMMFKORJOZETB-QZTJIDSGSA-N 0 1 295.430 3.881 20 0 CHADMN c1csc([C@H]2CCCN2Cc2ccns2)c1 ZINC000637867290 1129233502 /nfs/dbraw/zinc/23/35/02/1129233502.db2.gz UIIXBXBRMPQLHL-LLVKDONJSA-N 0 1 250.392 3.542 20 0 CHADMN CO[C@@H]1CC=C(Nc2ncc(Cl)cc2Cl)CC1 ZINC001212873912 1129238535 /nfs/dbraw/zinc/23/85/35/1129238535.db2.gz XTYOXCXQIUNWJG-SNVBAGLBSA-N 0 1 273.163 3.883 20 0 CHADMN Cc1noc(C)c1CC[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000336821153 1129245821 /nfs/dbraw/zinc/24/58/21/1129245821.db2.gz GSJPDSBHIJOPLR-SJCJKPOMSA-N 0 1 270.376 3.527 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2cccnc2F)c1 ZINC001138783477 1129248870 /nfs/dbraw/zinc/24/88/70/1129248870.db2.gz RSMMGGHLKXGXID-MRXNPFEDSA-N 0 1 270.351 3.866 20 0 CHADMN CC(C)[C@@H](N[C@H](c1nccn1C)C1CC1)c1ccccc1 ZINC000638319753 1129253540 /nfs/dbraw/zinc/25/35/40/1129253540.db2.gz ZOFRBPDJWAUILP-SJORKVTESA-N 0 1 283.419 3.858 20 0 CHADMN COc1ncc(CN[C@H]2CCc3cc(Cl)ccc32)s1 ZINC000638428096 1129258735 /nfs/dbraw/zinc/25/87/35/1129258735.db2.gz YTSGDCCAMVQZOS-ZDUSSCGKSA-N 0 1 294.807 3.582 20 0 CHADMN CCOc1ccccc1[C@@H](CC)NCc1ccns1 ZINC000638472865 1129260288 /nfs/dbraw/zinc/26/02/88/1129260288.db2.gz XPRQWFLANKNYIN-CQSZACIVSA-N 0 1 276.405 3.783 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@H]1NCc1cc(C2CC2)no1 ZINC000638524176 1129261431 /nfs/dbraw/zinc/26/14/31/1129261431.db2.gz LMNWBWXTVLSTRA-DIFFPNOSSA-N 0 1 268.360 3.575 20 0 CHADMN Fc1ccc([C@@H](NCc2ccns2)C2CCC2)cc1 ZINC000638530616 1129261525 /nfs/dbraw/zinc/26/15/25/1129261525.db2.gz AKQBTFIAULUPDO-HNNXBMFYSA-N 0 1 276.380 3.913 20 0 CHADMN Cc1c(F)cccc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000622519260 1129263334 /nfs/dbraw/zinc/26/33/34/1129263334.db2.gz XRQXZASCKHTSKL-UHFFFAOYSA-N 0 1 297.688 3.885 20 0 CHADMN Cn1ccnc1[C@@H](N[C@]1(C)CCCc2ccccc21)C1CC1 ZINC000638603314 1129263569 /nfs/dbraw/zinc/26/35/69/1129263569.db2.gz CMMWKSQBENVXCS-PKOBYXMFSA-N 0 1 295.430 3.713 20 0 CHADMN Fc1cccc(C2(CNCc3nc4ccccc4o3)CC2)c1 ZINC000638654316 1129265044 /nfs/dbraw/zinc/26/50/44/1129265044.db2.gz DKOJATZBTSLMAB-UHFFFAOYSA-N 0 1 296.345 3.788 20 0 CHADMN COc1ncc(CNC(C)(C)c2cccc(Cl)c2)s1 ZINC000638682524 1129265580 /nfs/dbraw/zinc/26/55/80/1129265580.db2.gz XBGGPNIGZVODLC-UHFFFAOYSA-N 0 1 296.823 3.830 20 0 CHADMN CCC(CC)c1cc(CN[C@@H](C)[C@@H]2CC2(F)F)on1 ZINC000638688561 1129266402 /nfs/dbraw/zinc/26/64/02/1129266402.db2.gz GVDMNIJXDCGYQT-CABZTGNLSA-N 0 1 272.339 3.712 20 0 CHADMN C[C@H](NCc1c(F)cccc1OC(F)F)[C@@H]1CC1(F)F ZINC000638699960 1129266924 /nfs/dbraw/zinc/26/69/24/1129266924.db2.gz DQACMYOOESJQDA-CBAPKCEASA-N 0 1 295.251 3.560 20 0 CHADMN C[C@@H]1CCCN(Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000622588162 1129267132 /nfs/dbraw/zinc/26/71/32/1129267132.db2.gz AJBVMSYTFCLITI-CQSZACIVSA-N 0 1 287.382 3.633 20 0 CHADMN CCc1ccc(C(C)(C)NCc2ccns2)cc1 ZINC000638732062 1129267324 /nfs/dbraw/zinc/26/73/24/1129267324.db2.gz KDRNPVWXMVWTHY-UHFFFAOYSA-N 0 1 260.406 3.730 20 0 CHADMN COc1cc(C)cc(CNCc2c(C)cccc2OC)c1 ZINC000638776677 1129270291 /nfs/dbraw/zinc/27/02/91/1129270291.db2.gz CFTQVOAJYXRWRQ-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN CC(C)C[C@@H]1COCCN1Cc1ccc(OC(C)C)cc1 ZINC000733796655 1129271307 /nfs/dbraw/zinc/27/13/07/1129271307.db2.gz JTVZOTHAGYJVAW-QGZVFWFLSA-N 0 1 291.435 3.721 20 0 CHADMN CCCC[C@@H](CC)CC(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795411158 1129272332 /nfs/dbraw/zinc/27/23/32/1129272332.db2.gz BGQCPWWHEDKFHA-GFCCVEGCSA-N 0 1 281.400 3.578 20 0 CHADMN CCCC[C@@H](CC)CC(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795411158 1129272333 /nfs/dbraw/zinc/27/23/33/1129272333.db2.gz BGQCPWWHEDKFHA-GFCCVEGCSA-N 0 1 281.400 3.578 20 0 CHADMN C[C@H](c1cnn(C)c1)N(C)Cc1cccc(C(F)F)c1 ZINC000348049644 1129274689 /nfs/dbraw/zinc/27/46/89/1129274689.db2.gz PJNQDHKSUVHOJS-LLVKDONJSA-N 0 1 279.334 3.551 20 0 CHADMN CCc1nnc([C@H](C)N2CCC[C@@H](Cc3ccccc3)C2)o1 ZINC000348029320 1129275279 /nfs/dbraw/zinc/27/52/79/1129275279.db2.gz VZODKOVQUBAZEE-HOCLYGCPSA-N 0 1 299.418 3.648 20 0 CHADMN C[C@@H]1[C@H](C)SCCN1Cc1cccc(C(F)F)c1 ZINC000348027695 1129275357 /nfs/dbraw/zinc/27/53/57/1129275357.db2.gz FXDVEVKEIYMQRI-MNOVXSKESA-N 0 1 271.376 3.950 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cn(C(C)(C)C)nc2C)sn1 ZINC000639051379 1129278807 /nfs/dbraw/zinc/27/88/07/1129278807.db2.gz RXXVNPFMEOVCMM-NSHDSACASA-N 0 1 292.452 3.562 20 0 CHADMN Cc1ccnc([C@H](C)N[C@@H](c2cnn(C)c2)C(C)(C)C)c1 ZINC000348092426 1129280123 /nfs/dbraw/zinc/28/01/23/1129280123.db2.gz PHOCLHVNZRFLRI-BBRMVZONSA-N 0 1 286.423 3.562 20 0 CHADMN Cc1ccnc([C@H](C)N[C@H](c2cnn(C)c2)C(C)(C)C)c1 ZINC000348092429 1129280264 /nfs/dbraw/zinc/28/02/64/1129280264.db2.gz PHOCLHVNZRFLRI-XJKSGUPXSA-N 0 1 286.423 3.562 20 0 CHADMN Cc1c(CN(C)Cc2ccc(F)c3ccccc23)cnn1C ZINC000639117282 1129283878 /nfs/dbraw/zinc/28/38/78/1129283878.db2.gz PTIZYGJXCFBRMM-UHFFFAOYSA-N 0 1 297.377 3.653 20 0 CHADMN Cc1ccc([C@H](N[C@@H]2CS[C@H](C)C2)c2ccccn2)cc1 ZINC000639119577 1129284107 /nfs/dbraw/zinc/28/41/07/1129284107.db2.gz LUSSJGVWNMBULU-HFTRVMKXSA-N 0 1 298.455 3.963 20 0 CHADMN Cc1cc(CN2CCC(c3ncc(C)s3)CC2)sn1 ZINC000639124200 1129284530 /nfs/dbraw/zinc/28/45/30/1129284530.db2.gz XKYBEFZZGUTFOO-UHFFFAOYSA-N 0 1 293.461 3.596 20 0 CHADMN Cc1cnc(CN[C@H]2CC[C@@H](c3cccc(F)c3)C2)o1 ZINC000639126502 1129284714 /nfs/dbraw/zinc/28/47/14/1129284714.db2.gz FMDFAVJIAQUIDY-HIFRSBDPSA-N 0 1 274.339 3.548 20 0 CHADMN C[C@@H](OC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC000733912728 1129285438 /nfs/dbraw/zinc/28/54/38/1129285438.db2.gz ZAQWQCGTIAADEX-HUUCEWRRSA-N 0 1 275.392 3.555 20 0 CHADMN COc1ncc(CN[C@@H]2CCCc3ccc(C)cc32)s1 ZINC000639218197 1129294518 /nfs/dbraw/zinc/29/45/18/1129294518.db2.gz CPHGNUWUOMTAKW-OAHLLOKOSA-N 0 1 288.416 3.627 20 0 CHADMN Cc1nc2ccc(NC(=O)C=C3CCC(C)CC3)cc2[nH]1 ZINC000734121347 1129295302 /nfs/dbraw/zinc/29/53/02/1129295302.db2.gz KATGRUGJOQDQSV-UHFFFAOYSA-N 0 1 283.375 3.946 20 0 CHADMN CC[C@@H](c1ccccc1)N(Cc1nonc1C)CC(C)C ZINC000734150007 1129295845 /nfs/dbraw/zinc/29/58/45/1129295845.db2.gz WPEBLDIQLYMEOT-KRWDZBQOSA-N 0 1 287.407 3.987 20 0 CHADMN Fc1ccc(CC2(NCc3nc4ccccc4o3)CC2)cc1 ZINC000639247452 1129296692 /nfs/dbraw/zinc/29/66/92/1129296692.db2.gz KWLJAMQIYHNELQ-UHFFFAOYSA-N 0 1 296.345 3.832 20 0 CHADMN Cc1cccc(CC2CN([C@H](C)c3cnc(C)nc3C)C2)c1 ZINC000639249050 1129297386 /nfs/dbraw/zinc/29/73/86/1129297386.db2.gz CAGJSNDWKJBZCD-OAHLLOKOSA-N 0 1 295.430 3.637 20 0 CHADMN Cc1cccc([C@@H](O)CN[C@@H](C)c2c(F)cccc2F)c1 ZINC000090521136 1129303919 /nfs/dbraw/zinc/30/39/19/1129303919.db2.gz TURPVXCNDSCANU-LRDDRELGSA-N 0 1 291.341 3.657 20 0 CHADMN CCC(F)(F)C(C)(C)CNCc1nc2ccccc2o1 ZINC000639350655 1129305053 /nfs/dbraw/zinc/30/50/53/1129305053.db2.gz LSBFYDGLTMLBCL-UHFFFAOYSA-N 0 1 282.334 3.989 20 0 CHADMN CCn1nc(C)c(CN(C)Cc2coc3ccccc23)c1C ZINC000639360181 1129306130 /nfs/dbraw/zinc/30/61/30/1129306130.db2.gz ILXPWESVNHAVNF-UHFFFAOYSA-N 0 1 297.402 3.898 20 0 CHADMN C/C(=C/c1cccc(C(F)(F)F)c1)CNCc1ncc[nH]1 ZINC000639371095 1129308140 /nfs/dbraw/zinc/30/81/40/1129308140.db2.gz IHBUNBNICKBHHZ-XFFZJAGNSA-N 0 1 295.308 3.622 20 0 CHADMN CC1(F)CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000639388749 1129310058 /nfs/dbraw/zinc/31/00/58/1129310058.db2.gz LJVDCLUVYMEEMH-UHFFFAOYSA-N 0 1 291.345 3.540 20 0 CHADMN CC1(C)CN(Cc2ccccc2OCc2ccncc2)C1 ZINC000639406721 1129311494 /nfs/dbraw/zinc/31/14/94/1129311494.db2.gz STRPVSXMNRXCSW-UHFFFAOYSA-N 0 1 282.387 3.502 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1nc(C2CCC2)no1)C1CC1 ZINC000639476966 1129318215 /nfs/dbraw/zinc/31/82/15/1129318215.db2.gz MRXVKVVCZGCONX-VXGBXAGGSA-N 0 1 277.412 3.736 20 0 CHADMN COc1cccc(-c2nc(C[N@H+]3CC[C@@H](C)[C@@H]3C)co2)c1 ZINC000639510312 1129320930 /nfs/dbraw/zinc/32/09/30/1129320930.db2.gz ALVAQJQHSKYANC-OLZOCXBDSA-N 0 1 286.375 3.581 20 0 CHADMN C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000639510669 1129321161 /nfs/dbraw/zinc/32/11/61/1129321161.db2.gz HGSDJKKEWNMRMR-NJZAAPMLSA-N 0 1 265.784 3.512 20 0 CHADMN CCC[C@H](NCc1nc(C2CCC2)no1)C(C)(C)C ZINC000639662025 1129328847 /nfs/dbraw/zinc/32/88/47/1129328847.db2.gz IYYMNUPSKPAEKU-LBPRGKRZSA-N 0 1 265.401 3.642 20 0 CHADMN CCCc1nc(C)c(C[N@H+]2CCC[C@H](c3cccnc3)C2)o1 ZINC000639695188 1129330277 /nfs/dbraw/zinc/33/02/77/1129330277.db2.gz RTMDGVXJQIBOHW-INIZCTEOSA-N 0 1 299.418 3.710 20 0 CHADMN C[C@@H](COC(=O)c1cc(-c2ccco2)n[nH]1)c1ccccc1 ZINC000735131898 1129332518 /nfs/dbraw/zinc/33/25/18/1129332518.db2.gz OGHQNWSRUFDFCY-LBPRGKRZSA-N 0 1 296.326 3.630 20 0 CHADMN CCC[C@@H](C)CCCN1CCC[C@H]1c1ncccn1 ZINC000639843245 1129336314 /nfs/dbraw/zinc/33/63/14/1129336314.db2.gz CELBDHIVYKOKSG-CABCVRRESA-N 0 1 261.413 3.830 20 0 CHADMN CC1(C)CN(C[C@@H]2CCC(C)(C)O2)[C@@H]1c1ccco1 ZINC000639926634 1129339929 /nfs/dbraw/zinc/33/99/29/1129339929.db2.gz ANAMRIREVMXNME-GXTWGEPZSA-N 0 1 263.381 3.620 20 0 CHADMN CCc1cc(CCCN2CC(C)(C)[C@@H]2c2ccco2)on1 ZINC000639928969 1129341107 /nfs/dbraw/zinc/34/11/07/1129341107.db2.gz JOEBKNDURQOBOS-INIZCTEOSA-N 0 1 288.391 3.846 20 0 CHADMN CCCCC[C@H](CC)NCc1ncc(Cl)cn1 ZINC001258432129 1129341740 /nfs/dbraw/zinc/34/17/40/1129341740.db2.gz MMVKIFIKYDIPFL-LBPRGKRZSA-N 0 1 255.793 3.579 20 0 CHADMN Cc1cnc([C@H](C)N2CCC3(CCSCC3)CC2)o1 ZINC000639982490 1129342252 /nfs/dbraw/zinc/34/22/52/1129342252.db2.gz COMPSMRAGKJFOH-ZDUSSCGKSA-N 0 1 280.437 3.653 20 0 CHADMN C[C@@H](NCc1nc2c(s1)CCCC2)c1cccs1 ZINC000719637404 1129347848 /nfs/dbraw/zinc/34/78/48/1129347848.db2.gz FXIACBUFTTVXML-SNVBAGLBSA-N 0 1 278.446 3.934 20 0 CHADMN C[C@@H](CN(C)[C@H](C)c1nc(C2CC2)no1)C(C)(C)C ZINC000640349527 1129355984 /nfs/dbraw/zinc/35/59/84/1129355984.db2.gz DDCPDYWDNLBINX-WDEREUQCSA-N 0 1 265.401 3.622 20 0 CHADMN CCCOc1ccc(OC(=O)[C@H](CC)N(CC)CC)cc1 ZINC000735806394 1129357673 /nfs/dbraw/zinc/35/76/73/1129357673.db2.gz UABREGDEHYTPMU-INIZCTEOSA-N 0 1 293.407 3.501 20 0 CHADMN CCCC[C@@H](CC)Cn1cc([C@H](N)c2ccccc2)nn1 ZINC000640752729 1129365946 /nfs/dbraw/zinc/36/59/46/1129365946.db2.gz FCZQIHDPUFZFAV-RHSMWYFYSA-N 0 1 286.423 3.543 20 0 CHADMN Cc1cccc([C@@H](C)OC(=O)[C@H](C)N2CCCCCC2)c1 ZINC000736027754 1129368305 /nfs/dbraw/zinc/36/83/05/1129368305.db2.gz CXLULQMHJNHKRA-JKSUJKDBSA-N 0 1 289.419 3.864 20 0 CHADMN CCCCC[C@H](CC)N1CC(Oc2cccnc2)C1 ZINC001258446672 1129368664 /nfs/dbraw/zinc/36/86/64/1129368664.db2.gz TZCGJNZHTVJDTR-AWEZNQCLSA-N 0 1 262.397 3.504 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1c(C)cccc1F)CC2 ZINC000766217399 1129375084 /nfs/dbraw/zinc/37/50/84/1129375084.db2.gz YZYSOHDYOVWBPT-SFHVURJKSA-N 0 1 285.362 3.920 20 0 CHADMN CN[C@@H](C)c1cn(CC2CCC(c3ccccc3)CC2)nn1 ZINC000641148094 1129375281 /nfs/dbraw/zinc/37/52/81/1129375281.db2.gz YPOLENGIXFLVFV-UQPPLGOBSA-N 0 1 298.434 3.533 20 0 CHADMN CC(C)[C@@H](NCc1cccc(F)c1)c1ccccn1 ZINC000736647133 1129378357 /nfs/dbraw/zinc/37/83/57/1129378357.db2.gz GFKQRAKTABEDDF-MRXNPFEDSA-N 0 1 258.340 3.708 20 0 CHADMN CC(=O)[C@H]1CCCN(Cc2c[nH]c3c2cccc3Cl)C1 ZINC001138833412 1129379552 /nfs/dbraw/zinc/37/95/52/1129379552.db2.gz BGYDBKQQVKXWTA-LBPRGKRZSA-N 0 1 290.794 3.622 20 0 CHADMN C[C@H](CC1CC1)N1CCc2cc(Br)ccc2C1 ZINC001258461115 1129386127 /nfs/dbraw/zinc/38/61/27/1129386127.db2.gz HJUVBDJFZLWVHK-LLVKDONJSA-N 0 1 294.236 3.996 20 0 CHADMN CC[C@H](NCc1ccncc1N)c1ccc(Cl)s1 ZINC000641721455 1129388976 /nfs/dbraw/zinc/38/89/76/1129388976.db2.gz DDHXXBUCUSOWFR-NSHDSACASA-N 0 1 281.812 3.620 20 0 CHADMN CC[C@@H](NCc1ccncc1N)c1ccc(Cl)s1 ZINC000641721454 1129389230 /nfs/dbraw/zinc/38/92/30/1129389230.db2.gz DDHXXBUCUSOWFR-LLVKDONJSA-N 0 1 281.812 3.620 20 0 CHADMN CN(Cn1c2ccccc2oc1=S)CC(C)(C)C ZINC000738088120 1129389787 /nfs/dbraw/zinc/38/97/87/1129389787.db2.gz BZSTTWFKPIRRDW-UHFFFAOYSA-N 0 1 264.394 3.899 20 0 CHADMN Nc1cnccc1CN[C@H]1CCCc2sc(Cl)cc21 ZINC000641756099 1129390458 /nfs/dbraw/zinc/39/04/58/1129390458.db2.gz ATGFFUJVPWJBHG-LBPRGKRZSA-N 0 1 293.823 3.546 20 0 CHADMN COC[C@H](C)N[C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000641788822 1129392856 /nfs/dbraw/zinc/39/28/56/1129392856.db2.gz WTHWWKUXEFUDGQ-QWRGUYRKSA-N 0 1 294.395 3.635 20 0 CHADMN CC[C@@H]1CCN1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000795649726 1129406285 /nfs/dbraw/zinc/40/62/85/1129406285.db2.gz QIHCHBBCFZAMAW-MFKMUULPSA-N 0 1 274.191 3.511 20 0 CHADMN CCCCN(CC(=O)Nc1ccc(C)cc1Cl)C1CC1 ZINC000642189375 1129409316 /nfs/dbraw/zinc/40/93/16/1129409316.db2.gz FCLAYSHAFGOGKY-UHFFFAOYSA-N 0 1 294.826 3.851 20 0 CHADMN COc1cc(-c2ccc3nc[nH]c3c2C)ccc1C ZINC001241034290 1129412129 /nfs/dbraw/zinc/41/21/29/1129412129.db2.gz VLWJWZZHRGMIOF-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN Cc1nc2c(nc(Cl)nc2NC[C@@H]2CCCC[C@H]2C)[nH]1 ZINC001155072114 1129415487 /nfs/dbraw/zinc/41/54/87/1129415487.db2.gz HMEAUSJMRRJHHI-SCZZXKLOSA-N 0 1 293.802 3.505 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2csc(Br)c2)C1 ZINC000642620618 1129422373 /nfs/dbraw/zinc/42/23/73/1129422373.db2.gz ADDCYLGKNIBQSX-NXEZZACHSA-N 0 1 288.254 3.989 20 0 CHADMN CSc1ccc(NC(=O)c2cc(-c3ccoc3)n[nH]2)cc1 ZINC000642652704 1129423220 /nfs/dbraw/zinc/42/32/20/1129423220.db2.gz UAJIVRZMNUPZAR-UHFFFAOYSA-N 0 1 299.355 3.644 20 0 CHADMN C[C@H](COC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC000741030227 1129426533 /nfs/dbraw/zinc/42/65/33/1129426533.db2.gz VLASWGHWICVZPD-CVEARBPZSA-N 0 1 289.419 3.598 20 0 CHADMN C[C@H](OC(=O)[C@H](C)N1CCCCCC1)c1ccccc1F ZINC000741028279 1129427444 /nfs/dbraw/zinc/42/74/44/1129427444.db2.gz DZKMWSHPGMFUOX-KBPBESRZSA-N 0 1 293.382 3.694 20 0 CHADMN COc1ccccc1CN(CCC(=O)C(C)(C)C)C1CC1 ZINC000741156844 1129430320 /nfs/dbraw/zinc/43/03/20/1129430320.db2.gz ICXWGVBINOBTAZ-UHFFFAOYSA-N 0 1 289.419 3.665 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)c2csc(C)c2)c1 ZINC000643304230 1129437452 /nfs/dbraw/zinc/43/74/52/1129437452.db2.gz NPPWCHSNUNMFQD-UHFFFAOYSA-N 0 1 289.356 3.607 20 0 CHADMN CCC[C@H](NCc1ccc2cnn(C)c2c1)c1ccccn1 ZINC000643318657 1129437926 /nfs/dbraw/zinc/43/79/26/1129437926.db2.gz CMNYKYVIQMASCL-INIZCTEOSA-N 0 1 294.402 3.599 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncs1)c1ccnc(Cl)c1 ZINC000795836326 1129451332 /nfs/dbraw/zinc/45/13/32/1129451332.db2.gz AOHCATXCTVHPDO-BDAKNGLRSA-N 0 1 267.785 3.603 20 0 CHADMN CCCCCCN1CCO[C@@H](c2ccccc2C)C1 ZINC000741801701 1129455058 /nfs/dbraw/zinc/45/50/58/1129455058.db2.gz KHEFFJFQADXOLC-QGZVFWFLSA-N 0 1 261.409 3.949 20 0 CHADMN C[C@@]1(c2ccc(F)cc2)CCN(Cc2ccc(F)nc2)C1 ZINC000796044383 1129465346 /nfs/dbraw/zinc/46/53/46/1129465346.db2.gz ZXCHFZMJHBBKBZ-QGZVFWFLSA-N 0 1 288.341 3.523 20 0 CHADMN CCOc1ccc(CN(C)Cc2cccc(C)c2C)nc1 ZINC000644704472 1129475858 /nfs/dbraw/zinc/47/58/58/1129475858.db2.gz QADYFBMVRNEOIM-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN COc1ccc(Oc2ccc(CN[C@@H](C)CF)cc2)cc1 ZINC000644892171 1129479359 /nfs/dbraw/zinc/47/93/59/1129479359.db2.gz ZVIATDYYAHUWKY-ZDUSSCGKSA-N 0 1 289.350 3.935 20 0 CHADMN C[C@@H](CF)NCc1c(OC(F)F)ccc2ccccc21 ZINC000644891996 1129479656 /nfs/dbraw/zinc/47/96/56/1129479656.db2.gz SDPXGZRXYPZFOK-JTQLQIEISA-N 0 1 283.293 3.889 20 0 CHADMN Cc1ccc2c(Cc3nc(=O)c4sccc4[nH]3)c[nH]c2c1 ZINC000742463883 1129480573 /nfs/dbraw/zinc/48/05/73/1129480573.db2.gz AOUNWVSMAQCPHZ-UHFFFAOYSA-N 0 1 295.367 3.777 20 0 CHADMN Cc1ccccc1-c1noc(CN2CC[C@@H](C)C[C@H]2C)n1 ZINC000644951961 1129481654 /nfs/dbraw/zinc/48/16/54/1129481654.db2.gz KMEPXSHXRIJYJT-TZMCWYRMSA-N 0 1 285.391 3.665 20 0 CHADMN Cc1ccc2ccnc(NC[C@H](c3ccco3)N(C)C)c2c1 ZINC000645096160 1129487530 /nfs/dbraw/zinc/48/75/30/1129487530.db2.gz NVKIWOCXVWSPMB-MRXNPFEDSA-N 0 1 295.386 3.851 20 0 CHADMN COc1ccc(F)c(CN[C@@H](C)c2ccc(F)cc2)c1 ZINC000645143862 1129488273 /nfs/dbraw/zinc/48/82/73/1129488273.db2.gz FGEWLKVQUXJWSD-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN CCC(N)=NOCCCOc1ccc(C(C)(C)C)cc1 ZINC000742580426 1129488515 /nfs/dbraw/zinc/48/85/15/1129488515.db2.gz HXWAPEZPOQRXLP-UHFFFAOYSA-N 0 1 278.396 3.661 20 0 CHADMN Cc1ccc(CC[NH2+]Cc2cccc([O-])c2Cl)cc1 ZINC000645156462 1129489409 /nfs/dbraw/zinc/48/94/09/1129489409.db2.gz HLBBDIOCSSKWDS-UHFFFAOYSA-N 0 1 275.779 3.686 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@H]2CCCC(F)(F)C2)c1Cl ZINC000645177971 1129489900 /nfs/dbraw/zinc/48/99/00/1129489900.db2.gz ORUMFDUYKCWNLR-JTQLQIEISA-N 0 1 289.753 3.961 20 0 CHADMN [O-]c1cccc(C[NH2+]CC2CCC(F)(F)CC2)c1Cl ZINC000645177932 1129490205 /nfs/dbraw/zinc/49/02/05/1129490205.db2.gz CONOLJXKZQCVBL-UHFFFAOYSA-N 0 1 289.753 3.961 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1Cl ZINC000645165634 1129490464 /nfs/dbraw/zinc/49/04/64/1129490464.db2.gz ZLGJXXSVPJMAKH-UXLLHSPISA-N 0 1 299.801 3.721 20 0 CHADMN COc1ccncc1CN[C@H]1c2ccccc2CC[C@H]1C ZINC000645467286 1129498476 /nfs/dbraw/zinc/49/84/76/1129498476.db2.gz TZFHFJPPJVBMLL-FZKQIMNGSA-N 0 1 282.387 3.503 20 0 CHADMN CC(=O)c1ccc(-c2ccc3nc[nH]c3c2C)cc1F ZINC001241259071 1129501500 /nfs/dbraw/zinc/50/15/00/1129501500.db2.gz DWSRMZSDOJLPOG-UHFFFAOYSA-N 0 1 268.291 3.880 20 0 CHADMN CCOc1cccc(-c2ccc3cncn3c2)c1F ZINC001241265140 1129501936 /nfs/dbraw/zinc/50/19/36/1129501936.db2.gz ZUMARHCJRGMIQW-UHFFFAOYSA-N 0 1 256.280 3.539 20 0 CHADMN CCN(CCC[C@@H]1CCOC1)Cc1c(F)cccc1F ZINC000645789791 1129506788 /nfs/dbraw/zinc/50/67/88/1129506788.db2.gz WLOLVBQRFCUQQO-CYBMUJFWSA-N 0 1 283.362 3.603 20 0 CHADMN C[C@@H]1c2cc(F)cc(F)c2CCN1CCC[C@@H]1CCOC1 ZINC000645814308 1129508142 /nfs/dbraw/zinc/50/81/42/1129508142.db2.gz GMBZJSARRLIRJY-CHWSQXEVSA-N 0 1 295.373 3.701 20 0 CHADMN O[C@@H]1CCN(CC2=CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000645929531 1129513611 /nfs/dbraw/zinc/51/36/11/1129513611.db2.gz SAQRXNNGTQGZOE-HZPDHXFCSA-N 0 1 277.795 3.558 20 0 CHADMN Cc1cccc(C)c1CN(Cc1ncccn1)CC(C)C ZINC000645973399 1129515449 /nfs/dbraw/zinc/51/54/49/1129515449.db2.gz CSELBTFBWMZDDJ-UHFFFAOYSA-N 0 1 283.419 3.752 20 0 CHADMN CCOc1cc(F)ccc1-c1ccc2cncn2c1 ZINC001241319694 1129515438 /nfs/dbraw/zinc/51/54/38/1129515438.db2.gz PBRSXPNVUXHQNH-UHFFFAOYSA-N 0 1 256.280 3.539 20 0 CHADMN C[C@]1(Cc2ccccc2F)CCCN1Cc1cscn1 ZINC000646013609 1129516767 /nfs/dbraw/zinc/51/67/67/1129516767.db2.gz HJTKUZNSPZXAEJ-MRXNPFEDSA-N 0 1 290.407 3.879 20 0 CHADMN Cc1ccncc1CNC1(c2ccccc2F)CCC1 ZINC000646025675 1129517825 /nfs/dbraw/zinc/51/78/25/1129517825.db2.gz QMEBGQDCEFSESR-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN C[C@@H](C(=O)Nc1cc(F)ccc1F)N(C)CCC(C)(C)C ZINC000646027684 1129517873 /nfs/dbraw/zinc/51/78/73/1129517873.db2.gz WSQAENYZVIQMQC-NSHDSACASA-N 0 1 298.377 3.660 20 0 CHADMN Cc1cccc(C2(NCc3cncc(F)c3)CCC2)c1 ZINC000646022496 1129518038 /nfs/dbraw/zinc/51/80/38/1129518038.db2.gz KJAVQECYQWKJJD-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN CC1(C)CCC[C@H]1[C@@H]1CCN(Cc2cscn2)C1 ZINC000646049431 1129518752 /nfs/dbraw/zinc/51/87/52/1129518752.db2.gz HJCRZNDKINDEHN-OCCSQVGLSA-N 0 1 264.438 3.791 20 0 CHADMN CCCN(Cc1conc1CC)Cc1ccc(OC)cc1 ZINC000646058938 1129520228 /nfs/dbraw/zinc/52/02/28/1129520228.db2.gz PBKRLGIOWNTIMR-UHFFFAOYSA-N 0 1 288.391 3.658 20 0 CHADMN CC(C)n1cc(CN2CC[C@@H]([C@H]3CCCC3(C)C)C2)nn1 ZINC000646052344 1129520293 /nfs/dbraw/zinc/52/02/93/1129520293.db2.gz NKECAEAERCAFQH-GDBMZVCRSA-N 0 1 290.455 3.507 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000251292520 1129521547 /nfs/dbraw/zinc/52/15/47/1129521547.db2.gz RWBFPIWQDHLOSP-MAUKXSAKSA-N 0 1 289.419 3.757 20 0 CHADMN CC[C@H](N[C@@H](C)c1c[nH]nc1C)c1cc(F)ccc1F ZINC000180913128 1129522095 /nfs/dbraw/zinc/52/20/95/1129522095.db2.gz LETWJWVMSCWSRF-VFZGTOFNSA-N 0 1 279.334 3.798 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000251336033 1129524171 /nfs/dbraw/zinc/52/41/71/1129524171.db2.gz YVRWQYQQYJRWQB-BDJLRTHQSA-N 0 1 297.345 3.603 20 0 CHADMN C[C@@H]1C[N@@H+](CCCCC(F)(F)F)CC2(CCCC2)O1 ZINC000646134864 1129525297 /nfs/dbraw/zinc/52/52/97/1129525297.db2.gz VOUHUJBJNOKJHN-GFCCVEGCSA-N 0 1 279.346 3.753 20 0 CHADMN C[C@@H]1CN(CCCCC(F)(F)F)CC2(CCCC2)O1 ZINC000646134864 1129525298 /nfs/dbraw/zinc/52/52/98/1129525298.db2.gz VOUHUJBJNOKJHN-GFCCVEGCSA-N 0 1 279.346 3.753 20 0 CHADMN COc1ncccc1CNC1(c2ccc(C)cc2)CCC1 ZINC000646130227 1129525681 /nfs/dbraw/zinc/52/56/81/1129525681.db2.gz MLTGIECCRWGNDQ-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN CCCCCC[C@](C)(CCC)C(=O)N(C)Cc1nnc[nH]1 ZINC000743478799 1129526965 /nfs/dbraw/zinc/52/69/65/1129526965.db2.gz BAUWFJKTKGNMMZ-INIZCTEOSA-N 0 1 294.443 3.540 20 0 CHADMN CCOc1cc(Cl)ccc1CN[C@@H](C)c1c[nH]nc1C ZINC000181001500 1129528402 /nfs/dbraw/zinc/52/84/02/1129528402.db2.gz UHCVUQBAWPMAIN-JTQLQIEISA-N 0 1 293.798 3.621 20 0 CHADMN C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccc([O-])c1Cl ZINC000646193753 1129529010 /nfs/dbraw/zinc/52/90/10/1129529010.db2.gz DZEOYRZQIWHTQN-JSGCOSHPSA-N 0 1 297.826 3.561 20 0 CHADMN C[C@H](Cc1cccs1)Nc1cc2c(cn1)CCC2 ZINC000646282189 1129531114 /nfs/dbraw/zinc/53/11/14/1129531114.db2.gz ILKFMOLPRLROFP-LLVKDONJSA-N 0 1 258.390 3.675 20 0 CHADMN c1cc2cc(CN3CCOC[C@H]3CC3CCC3)ccc2cn1 ZINC000646296664 1129532057 /nfs/dbraw/zinc/53/20/57/1129532057.db2.gz LJOKBQYOLLRIDZ-LJQANCHMSA-N 0 1 296.414 3.626 20 0 CHADMN Fc1ccccc1[C@@H]1CCN(Cc2cccc(Cl)n2)C1 ZINC000743847323 1129538894 /nfs/dbraw/zinc/53/88/94/1129538894.db2.gz IDUOBUWXTOKLCU-GFCCVEGCSA-N 0 1 290.769 3.864 20 0 CHADMN CC(C)c1ccc(NC(=O)[C@@H]2C[C@H](C)Cc3cn[nH]c32)cc1 ZINC000646581392 1129540546 /nfs/dbraw/zinc/54/05/46/1129540546.db2.gz HTTKANQHBQHMAT-MLGOLLRUSA-N 0 1 297.402 3.838 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2cccnc2Cl)C1 ZINC000743860308 1129540756 /nfs/dbraw/zinc/54/07/56/1129540756.db2.gz AQCZUTFWJYSWSE-AWEZNQCLSA-N 0 1 252.789 3.747 20 0 CHADMN Fc1cccc([C@@H]2CCN(Cc3cccc(Cl)n3)C2)c1 ZINC000743846441 1129541929 /nfs/dbraw/zinc/54/19/29/1129541929.db2.gz KTBQIUMCXMXFHF-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN CCC(CC)(CC)c1nc([C@H](N)CC(C)C)no1 ZINC000647133365 1129551097 /nfs/dbraw/zinc/55/10/97/1129551097.db2.gz BOLVIASRTVSUQP-LLVKDONJSA-N 0 1 253.390 3.583 20 0 CHADMN C1CN[C@H](c2noc([C@@H]3CCC[C@@H]4CCCC[C@@H]34)n2)C1 ZINC000647145518 1129551679 /nfs/dbraw/zinc/55/16/79/1129551679.db2.gz YAZIGYZIIGWOLO-DGAVXFQQSA-N 0 1 275.396 3.568 20 0 CHADMN CC(C)Cc1cccc([C@H](C)c2nc([C@@H]3CCCN3)no2)c1 ZINC000647145324 1129551912 /nfs/dbraw/zinc/55/19/12/1129551912.db2.gz SKFYKAGDAFEUIU-BBRMVZONSA-N 0 1 299.418 3.844 20 0 CHADMN C(=C\c1ccc(C2CC2)cc1)\c1nc([C@H]2CCCN2)no1 ZINC000647144288 1129551937 /nfs/dbraw/zinc/55/19/37/1129551937.db2.gz SVSBABFQXXCTTJ-WSVPDTOYSA-N 0 1 281.359 3.542 20 0 CHADMN CCC[C@H](CC1CCCC1)c1nc([C@@H]2CCCN2)no1 ZINC000647149936 1129551945 /nfs/dbraw/zinc/55/19/45/1129551945.db2.gz WGOUIFGJHWBPKK-KGLIPLIRSA-N 0 1 277.412 3.958 20 0 CHADMN CC(C)=CCOc1cccc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000647148302 1129552146 /nfs/dbraw/zinc/55/21/46/1129552146.db2.gz LNISFKVVZCNWKD-HNNXBMFYSA-N 0 1 299.374 3.506 20 0 CHADMN CC/C(=C\c1nc([C@@H]2CCCN2)no1)c1ccc(C)cc1 ZINC000647149243 1129552757 /nfs/dbraw/zinc/55/27/57/1129552757.db2.gz HOAYVFKRVMNJKJ-FQNOHDAGSA-N 0 1 283.375 3.753 20 0 CHADMN CC(C)(C)c1nc(CSc2nccc3ccccc32)n[nH]1 ZINC000647161897 1129552769 /nfs/dbraw/zinc/55/27/69/1129552769.db2.gz UJPGEMHHRIHVND-UHFFFAOYSA-N 0 1 298.415 3.943 20 0 CHADMN Cc1ccc(/C=C/c2nc([C@H]3CCCN3)no2)cc1Cl ZINC000647154945 1129552834 /nfs/dbraw/zinc/55/28/34/1129552834.db2.gz NZMCFHBILOCOHG-KTRBRXNASA-N 0 1 289.766 3.626 20 0 CHADMN Oc1cccc(CNC2(c3ccccc3F)CCC2)c1 ZINC000647237301 1129559536 /nfs/dbraw/zinc/55/95/36/1129559536.db2.gz PLWGSXHJUBITGH-UHFFFAOYSA-N 0 1 271.335 3.700 20 0 CHADMN Cc1nocc1CNC1(c2cccc(Cl)c2)CCC1 ZINC000647251628 1129560740 /nfs/dbraw/zinc/56/07/40/1129560740.db2.gz DVUSGLIEORCYKJ-UHFFFAOYSA-N 0 1 276.767 3.805 20 0 CHADMN CC(C)(C)O[C@H]1C[C@@H](NCc2csc(C(C)(C)C)n2)C1 ZINC000647248457 1129560763 /nfs/dbraw/zinc/56/07/63/1129560763.db2.gz YMUCVIDFIHTLEE-BJHJDKERSA-N 0 1 296.480 3.876 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2C[C@H]1C)c1cc2n(n1)CCCC2 ZINC000647292720 1129564565 /nfs/dbraw/zinc/56/45/65/1129564565.db2.gz CBMUWXQWSRJMPP-TYILLQQXSA-N 0 1 295.430 3.804 20 0 CHADMN CC[C@@](C)(NC[C@]1(C)CC1(Cl)Cl)c1nccs1 ZINC000828333379 1131382715 /nfs/dbraw/zinc/38/27/15/1131382715.db2.gz GLDITLDWNXBVNL-WDEREUQCSA-N 0 1 293.263 3.942 20 0 CHADMN CCn1cc([C@@H](C)NC2(c3cccc(F)c3)CCC2)cn1 ZINC000647331219 1129569919 /nfs/dbraw/zinc/56/99/19/1129569919.db2.gz WXWMZEHZDIQFLM-CYBMUJFWSA-N 0 1 287.382 3.772 20 0 CHADMN C[C@@H](NC1(c2cccc(Cl)c2)CCC1)c1ccncn1 ZINC000647349030 1129572886 /nfs/dbraw/zinc/57/28/86/1129572886.db2.gz TXYQSOLCQKCZPA-GFCCVEGCSA-N 0 1 287.794 3.860 20 0 CHADMN C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCC(C)(C)C1 ZINC000744421018 1129576404 /nfs/dbraw/zinc/57/64/04/1129576404.db2.gz BHRYMMFXKQUXRC-CQSZACIVSA-N 0 1 296.414 3.899 20 0 CHADMN Cc1occc1CN1CCC(Oc2ccccc2)CC1 ZINC000414374451 1129581875 /nfs/dbraw/zinc/58/18/75/1129581875.db2.gz VTVZBELWDQUDRS-UHFFFAOYSA-N 0 1 271.360 3.631 20 0 CHADMN CCOc1ccccc1-c1cccc2nc(C)[nH]c21 ZINC001239559362 1131385274 /nfs/dbraw/zinc/38/52/74/1131385274.db2.gz BGSUTRRRLMKHLV-UHFFFAOYSA-N 0 1 252.317 3.937 20 0 CHADMN Fc1ccc(CN2CCC[C@@H](c3ccccn3)C2)c(F)c1 ZINC000647951122 1129589313 /nfs/dbraw/zinc/58/93/13/1129589313.db2.gz MLMGOBMAEICFEK-CQSZACIVSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2c2cccc(C)c2C)co1 ZINC000647965469 1129590246 /nfs/dbraw/zinc/59/02/46/1129590246.db2.gz XZXSMVBCTORFCK-QGZVFWFLSA-N 0 1 270.376 3.937 20 0 CHADMN CC(C)Cn1nccc1CN(C)[C@@H]1CCc2ccccc21 ZINC000648000426 1129590890 /nfs/dbraw/zinc/59/08/90/1129590890.db2.gz JCQFCNLANSWKCF-GOSISDBHSA-N 0 1 283.419 3.658 20 0 CHADMN CC1(CC(F)F)CN(Cc2ccc3occc3c2)C1 ZINC000648058879 1129593724 /nfs/dbraw/zinc/59/37/24/1129593724.db2.gz JCOFBWLGKLUMQK-UHFFFAOYSA-N 0 1 265.303 3.910 20 0 CHADMN CC1(CC(F)F)CN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000648058662 1129594243 /nfs/dbraw/zinc/59/42/43/1129594243.db2.gz XGWPUIOMDFTNIU-UHFFFAOYSA-N 0 1 291.345 3.554 20 0 CHADMN COc1c(C)cc(CN2CC(C)(CC(F)F)C2)cc1C ZINC000648058420 1129594647 /nfs/dbraw/zinc/59/46/47/1129594647.db2.gz JSZOLSYWAVMGRL-UHFFFAOYSA-N 0 1 283.362 3.789 20 0 CHADMN Cc1ccoc1CN[C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000648068762 1129594950 /nfs/dbraw/zinc/59/49/50/1129594950.db2.gz BKEQLICOZAEEOH-GOSISDBHSA-N 0 1 297.398 3.748 20 0 CHADMN Oc1ccc(CNC2(c3ccccc3F)CCC2)cc1 ZINC000648059295 1129595062 /nfs/dbraw/zinc/59/50/62/1129595062.db2.gz ICGMZEGAWOICTD-UHFFFAOYSA-N 0 1 271.335 3.700 20 0 CHADMN CCn1cncc1CN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000648075161 1129597274 /nfs/dbraw/zinc/59/72/74/1129597274.db2.gz WXROVJIZHWZUHF-GOSISDBHSA-N 0 1 293.414 3.796 20 0 CHADMN C[C@@H](NCc1ccc(Cl)cn1)c1ccc(F)cc1 ZINC000182113623 1129597715 /nfs/dbraw/zinc/59/77/15/1129597715.db2.gz JFSGOJOJHQPIKV-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN CC(C)c1ccccc1NC(=O)c1cccc2cncn21 ZINC001155787392 1129602276 /nfs/dbraw/zinc/60/22/76/1129602276.db2.gz YNBOWADGJOREPW-UHFFFAOYSA-N 0 1 279.343 3.710 20 0 CHADMN C[C@@H](C[N@H+]1CCCOC(C)(C)C1)c1cc(F)cc(F)c1 ZINC000648375854 1129604702 /nfs/dbraw/zinc/60/47/02/1129604702.db2.gz YNKIWUMCRROOFO-LBPRGKRZSA-N 0 1 283.362 3.569 20 0 CHADMN Cc1nnc(CN[C@H]2CC[C@H](CCC(C)C)C2)s1 ZINC000648509804 1129609693 /nfs/dbraw/zinc/60/96/93/1129609693.db2.gz CHGHBAZQKRYKRS-STQMWFEESA-N 0 1 267.442 3.541 20 0 CHADMN Cc1nnc(CN[C@H]2CC[C@@H](CCC(C)C)C2)s1 ZINC000648509802 1129610129 /nfs/dbraw/zinc/61/01/29/1129610129.db2.gz CHGHBAZQKRYKRS-OLZOCXBDSA-N 0 1 267.442 3.541 20 0 CHADMN CN(Cc1ccsc1Cl)C[C@@](C)(O)c1ccccc1 ZINC000822515528 1131385715 /nfs/dbraw/zinc/38/57/15/1131385715.db2.gz CAIUTVLBLHWVOE-OAHLLOKOSA-N 0 1 295.835 3.741 20 0 CHADMN CN(Cc1cscc1Cl)C[C@](C)(O)c1ccccc1 ZINC000822516031 1131386142 /nfs/dbraw/zinc/38/61/42/1131386142.db2.gz HTCQPQMESVEITD-HNNXBMFYSA-N 0 1 295.835 3.741 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1cccc2nc[nH]c21 ZINC001136595966 1131386325 /nfs/dbraw/zinc/38/63/25/1131386325.db2.gz QPAPFPOOFVYDTK-ZFWWWQNUSA-N 0 1 299.418 3.898 20 0 CHADMN c1ccc2c(c1)CN(Cc1cccc3cnccc31)C2 ZINC000183270073 1129622949 /nfs/dbraw/zinc/62/29/49/1129622949.db2.gz JQDCDSJCTSZEOB-UHFFFAOYSA-N 0 1 260.340 3.751 20 0 CHADMN CCc1cc(CN[C@@H](C)c2ccc(C(F)(F)F)cc2)[nH]n1 ZINC000746048151 1129623695 /nfs/dbraw/zinc/62/36/95/1129623695.db2.gz WVEGVDYMYBGXIF-JTQLQIEISA-N 0 1 297.324 3.842 20 0 CHADMN C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1n[nH]c2ccccc21 ZINC000648719250 1129623760 /nfs/dbraw/zinc/62/37/60/1129623760.db2.gz PZTKTDHGTQMMAZ-GHMZBOCLSA-N 0 1 297.324 3.726 20 0 CHADMN C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1[nH]nc2ccccc21 ZINC000648719250 1129623767 /nfs/dbraw/zinc/62/37/67/1129623767.db2.gz PZTKTDHGTQMMAZ-GHMZBOCLSA-N 0 1 297.324 3.726 20 0 CHADMN Cc1ccoc1CNC[C@H](O)c1cc2ccccc2s1 ZINC000305073741 1129625915 /nfs/dbraw/zinc/62/59/15/1129625915.db2.gz USCGPNBKCYLATE-ZDUSSCGKSA-N 0 1 287.384 3.626 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000648849838 1129627762 /nfs/dbraw/zinc/62/77/62/1129627762.db2.gz VLEJBGBULXNZTH-DTWKUNHWSA-N 0 1 285.338 3.667 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccccc1)c1ccnc(Cl)c1 ZINC000305106602 1129628565 /nfs/dbraw/zinc/62/85/65/1129628565.db2.gz BOBGBKZKZWYQGI-SWLSCSKDSA-N 0 1 290.794 3.509 20 0 CHADMN C[C@@]1(F)CCN(Cc2cccc3ncccc23)C[C@@H]1F ZINC001137624653 1131387054 /nfs/dbraw/zinc/38/70/54/1131387054.db2.gz UFKHYBPNNPIRFY-JKSUJKDBSA-N 0 1 276.330 3.507 20 0 CHADMN COc1ccc(CNCc2cccc3cccnc32)c(F)c1 ZINC000378893940 1129635299 /nfs/dbraw/zinc/63/52/99/1129635299.db2.gz AJXTZWKPZBGQBT-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN CCC(=O)CCCN1CCc2cc(F)ccc2[C@@H]1C ZINC000649319433 1129640261 /nfs/dbraw/zinc/64/02/61/1129640261.db2.gz AFNAYRAMBRLRRD-LBPRGKRZSA-N 0 1 263.356 3.504 20 0 CHADMN Cn1cnc(CN[C@H](CC(C)(C)C)c2ccccc2)c1 ZINC000380657579 1129640413 /nfs/dbraw/zinc/64/04/13/1129640413.db2.gz RYRIADUPZCYQCX-MRXNPFEDSA-N 0 1 271.408 3.687 20 0 CHADMN CC(=O)c1cccc(CN2CCC(c3ccccn3)CC2)c1 ZINC000649395738 1129643104 /nfs/dbraw/zinc/64/31/04/1129643104.db2.gz DTTKXHXHVVHKIN-UHFFFAOYSA-N 0 1 294.398 3.664 20 0 CHADMN CC(C)(CC(F)(F)F)NCc1ccc(Cl)o1 ZINC000381130404 1129643452 /nfs/dbraw/zinc/64/34/52/1129643452.db2.gz KOUWHHUDXSKFOO-UHFFFAOYSA-N 0 1 255.667 3.754 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(OC(F)F)cn2)cc1F ZINC000649438170 1129648630 /nfs/dbraw/zinc/64/86/30/1129648630.db2.gz WYKWTELRXMZWRZ-UHFFFAOYSA-N 0 1 296.292 3.551 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1Cc1cc2n(n1)CCCC2 ZINC000649490107 1129653133 /nfs/dbraw/zinc/65/31/33/1129653133.db2.gz TUVLKBKLCYZJHW-LJQANCHMSA-N 0 1 295.430 3.865 20 0 CHADMN Cc1ccc(N2N=C3CCCCC[C@H]3C2=O)c(C)c1 ZINC000100214339 1129653637 /nfs/dbraw/zinc/65/36/37/1129653637.db2.gz FNBKPTMOOVSQOW-CYBMUJFWSA-N 0 1 256.349 3.586 20 0 CHADMN Cc1ccc(-n2[nH]c3c(c2=O)CCCCC3)c(C)c1 ZINC000100214339 1129653638 /nfs/dbraw/zinc/65/36/38/1129653638.db2.gz FNBKPTMOOVSQOW-CYBMUJFWSA-N 0 1 256.349 3.586 20 0 CHADMN CC[C@@H](OCCN(C)Cc1ccoc1)c1ccccc1 ZINC000649494656 1129654134 /nfs/dbraw/zinc/65/41/34/1129654134.db2.gz UJFWVHVNXIAGEZ-QGZVFWFLSA-N 0 1 273.376 3.879 20 0 CHADMN CC[C@H](OCCN(C)Cc1ccoc1)c1ccccc1 ZINC000649494655 1129654382 /nfs/dbraw/zinc/65/43/82/1129654382.db2.gz UJFWVHVNXIAGEZ-KRWDZBQOSA-N 0 1 273.376 3.879 20 0 CHADMN Fc1ccc(C2(NCc3cc4n(n3)CCC4)CCCC2)cc1 ZINC000649559253 1129657589 /nfs/dbraw/zinc/65/75/89/1129657589.db2.gz VQZYCCSTCBGKBF-UHFFFAOYSA-N 0 1 299.393 3.528 20 0 CHADMN COc1ccc(CNC2(c3ccccc3C)CCC2)nc1 ZINC000649644630 1129665754 /nfs/dbraw/zinc/66/57/54/1129665754.db2.gz LKOLPNNNUBHKLB-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN Cc1cccc(CNC2(c3ccccc3C)CCC2)n1 ZINC000649644192 1129665757 /nfs/dbraw/zinc/66/57/57/1129665757.db2.gz VTYGOOVOYZUDFX-UHFFFAOYSA-N 0 1 266.388 3.867 20 0 CHADMN CC[C@H](NCc1conc1C)c1ccc(C)c(F)c1 ZINC001168792921 1129666321 /nfs/dbraw/zinc/66/63/21/1129666321.db2.gz ILBZWRCBSFFORQ-HNNXBMFYSA-N 0 1 262.328 3.671 20 0 CHADMN c1cc(-c2nc(CN3CCC34CCCC4)cs2)co1 ZINC000649656418 1129666472 /nfs/dbraw/zinc/66/64/72/1129666472.db2.gz MCSCMLYKIDCXJA-UHFFFAOYSA-N 0 1 274.389 3.922 20 0 CHADMN Cc1ccc(-c2nnc(CN3CCC34CCCC4)o2)cc1 ZINC000649656401 1129666676 /nfs/dbraw/zinc/66/66/76/1129666676.db2.gz LMKLDIPHRCPGSI-UHFFFAOYSA-N 0 1 283.375 3.564 20 0 CHADMN Cc1cc(CN2CCC3(CCc4ccccc4C3)CC2)no1 ZINC000649647943 1129666891 /nfs/dbraw/zinc/66/68/91/1129666891.db2.gz CNKNHJMFXRMTKV-UHFFFAOYSA-N 0 1 296.414 3.754 20 0 CHADMN C[C@@H](c1cccnc1)[N@@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000828525147 1131389508 /nfs/dbraw/zinc/38/95/08/1131389508.db2.gz YKWUSIMJXZZDSV-CMPLNLGQSA-N 0 1 273.207 3.658 20 0 CHADMN C[C@@H](c1cccnc1)N(C)C[C@@]1(C)CC1(Cl)Cl ZINC000828525147 1131389511 /nfs/dbraw/zinc/38/95/11/1131389511.db2.gz YKWUSIMJXZZDSV-CMPLNLGQSA-N 0 1 273.207 3.658 20 0 CHADMN CC(C)O[C@H]1CCCN([C@@H](C)c2nc3ccccc3o2)C1 ZINC000649702724 1129671737 /nfs/dbraw/zinc/67/17/37/1129671737.db2.gz LRXYGCSQSHMMFM-KBPBESRZSA-N 0 1 288.391 3.778 20 0 CHADMN CC(C)O[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000649699056 1129672243 /nfs/dbraw/zinc/67/22/43/1129672243.db2.gz IFDFXVAMNWQWPE-GXTWGEPZSA-N 0 1 283.362 3.915 20 0 CHADMN COc1cc(CN2CCC[C@H](OC(C)C)C2)ccc1Cl ZINC000649704105 1129672694 /nfs/dbraw/zinc/67/26/94/1129672694.db2.gz WUIMTJYBTJNCFL-AWEZNQCLSA-N 0 1 297.826 3.738 20 0 CHADMN CCC[C@H](C)NC(=O)[C@H](C)N[C@@H](CC)c1ccccc1F ZINC000649738655 1129674140 /nfs/dbraw/zinc/67/41/40/1129674140.db2.gz PVCILCDLFVOPDB-XEZPLFJOSA-N 0 1 294.414 3.560 20 0 CHADMN CC[C@H](N[C@H](C)c1cnccn1)c1ccc(C)c(F)c1 ZINC001168826210 1129674433 /nfs/dbraw/zinc/67/44/33/1129674433.db2.gz PSBGKTKSIBAGAT-DOMZBBRYSA-N 0 1 273.355 3.726 20 0 CHADMN Cc1cc(CN2CCc3ccc(Cl)cc3[C@H](C)C2)on1 ZINC000649747180 1129674927 /nfs/dbraw/zinc/67/49/27/1129674927.db2.gz RZIUOKSUVHHBOH-LLVKDONJSA-N 0 1 290.794 3.798 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CCC([C@H](C)CO)CC1 ZINC000649798913 1129678418 /nfs/dbraw/zinc/67/84/18/1129678418.db2.gz KSJAZIOMRXSEAO-VXGBXAGGSA-N 0 1 299.817 3.881 20 0 CHADMN C[C@@]1(CN2CCc3ccsc3C2)CC1(Cl)Cl ZINC000828555834 1131390444 /nfs/dbraw/zinc/39/04/44/1131390444.db2.gz PKLJFNPVEOWYMQ-NSHDSACASA-N 0 1 276.232 3.690 20 0 CHADMN CCOc1ccc(-c2cc3nc[nH]c3cc2F)cc1 ZINC001239566204 1131390561 /nfs/dbraw/zinc/39/05/61/1131390561.db2.gz UXJHIGSRPFNWCO-UHFFFAOYSA-N 0 1 256.280 3.768 20 0 CHADMN COC(=O)[C@H](c1ccccc1C)N1CC[C@@H](C)C(C)(C)C1 ZINC001169092548 1129700379 /nfs/dbraw/zinc/70/03/79/1129700379.db2.gz UNEYDOATYDLAKP-ZBFHGGJFSA-N 0 1 289.419 3.577 20 0 CHADMN C[C@H](N[C@@H](C)C1CCCCCC1)c1nc(C2CC2)no1 ZINC001169137120 1129702386 /nfs/dbraw/zinc/70/23/86/1129702386.db2.gz PHUVWWWVGPYFCT-RYUDHWBXSA-N 0 1 277.412 3.957 20 0 CHADMN Fc1cc(CN2CCC[C@H](F)CC2)ccc1Cl ZINC001137649551 1131391990 /nfs/dbraw/zinc/39/19/90/1131391990.db2.gz ICMDHFDMIZZMFJ-NSHDSACASA-N 0 1 259.727 3.803 20 0 CHADMN Cc1cnc(N[C@@H]2CCCC(F)(F)C2)c2[nH]ccc21 ZINC001169214520 1129708392 /nfs/dbraw/zinc/70/83/92/1129708392.db2.gz CTINWUWZOXPJAF-SNVBAGLBSA-N 0 1 265.307 3.861 20 0 CHADMN Fc1cc2[nH]cnc2cc1N[C@H]1CCCC(F)(F)C1 ZINC001169220691 1129709564 /nfs/dbraw/zinc/70/95/64/1129709564.db2.gz XSAKAZPMFOSVSE-QMMMGPOBSA-N 0 1 269.270 3.692 20 0 CHADMN COc1cc(CCNc2nccc3cc(C)ccc32)ccn1 ZINC001169220023 1129710043 /nfs/dbraw/zinc/71/00/43/1129710043.db2.gz GIOLTCOZQZYLHI-UHFFFAOYSA-N 0 1 293.370 3.601 20 0 CHADMN Cc1cc2nccn2cc1N[C@@H](C1CCC1)C(F)(F)F ZINC001169285729 1129715516 /nfs/dbraw/zinc/71/55/16/1129715516.db2.gz QRRKMDMCAOHPLK-ZDUSSCGKSA-N 0 1 283.297 3.786 20 0 CHADMN CC[C@]1(C)C[N@@H+](CCSc2cccc(Cl)c2)CCO1 ZINC001169341011 1129719030 /nfs/dbraw/zinc/71/90/30/1129719030.db2.gz CVXUTHAMYFXSPM-OAHLLOKOSA-N 0 1 299.867 3.933 20 0 CHADMN CC[C@]1(C)CN(CCSc2cccc(Cl)c2)CCO1 ZINC001169341011 1129719034 /nfs/dbraw/zinc/71/90/34/1129719034.db2.gz CVXUTHAMYFXSPM-OAHLLOKOSA-N 0 1 299.867 3.933 20 0 CHADMN CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC001169340871 1129719215 /nfs/dbraw/zinc/71/92/15/1129719215.db2.gz BNDYOXHRZVCKOV-WBMJQRKESA-N 0 1 297.826 3.596 20 0 CHADMN CCOc1cccc(Cl)c1CN1CC[C@@H](C)[C@@H](OC)C1 ZINC001169340871 1129719216 /nfs/dbraw/zinc/71/92/16/1129719216.db2.gz BNDYOXHRZVCKOV-WBMJQRKESA-N 0 1 297.826 3.596 20 0 CHADMN C[C@@H]1C[C@@H](Nc2cccn3cncc23)c2ccccc21 ZINC001169378694 1129722562 /nfs/dbraw/zinc/72/25/62/1129722562.db2.gz MDNWAOSOTIGKNP-MLGOLLRUSA-N 0 1 263.344 3.995 20 0 CHADMN Cc1ccnc(NCc2c(=O)[nH]c(C)c3c2CCCC3)c1C ZINC001169399310 1129724854 /nfs/dbraw/zinc/72/48/54/1129724854.db2.gz LGQFUVVEFGANRV-UHFFFAOYSA-N 0 1 297.402 3.598 20 0 CHADMN CCC[C@H](NCc1ccc(O)c(F)c1)c1ccccn1 ZINC000766736533 1129732288 /nfs/dbraw/zinc/73/22/88/1129732288.db2.gz YSMMEHPVFQPQKS-AWEZNQCLSA-N 0 1 274.339 3.557 20 0 CHADMN C[C@H](CNc1cc(OCC2CC2)ccn1)c1ccc(O)cc1 ZINC001169534019 1129733879 /nfs/dbraw/zinc/73/38/79/1129733879.db2.gz FVDVPQBBXBSARL-CYBMUJFWSA-N 0 1 298.386 3.792 20 0 CHADMN C[C@H]1CN(Cc2ccc(Br)cc2)CC[C@@H]1C ZINC000135206425 1129738297 /nfs/dbraw/zinc/73/82/97/1129738297.db2.gz LQOVUYYBAPECSG-RYUDHWBXSA-N 0 1 282.225 3.927 20 0 CHADMN C[C@H](COCC1CC1)Nc1ccnc2cc(F)ccc21 ZINC000651457823 1129739844 /nfs/dbraw/zinc/73/98/44/1129739844.db2.gz MLRPOEBCLPGVQL-LLVKDONJSA-N 0 1 274.339 3.601 20 0 CHADMN COc1cccnc1CN[C@H]1c2ccccc2CC[C@H]1C ZINC000651475344 1129740070 /nfs/dbraw/zinc/74/00/70/1129740070.db2.gz LYRRWOSRNFWFPZ-FZKQIMNGSA-N 0 1 282.387 3.503 20 0 CHADMN CC(C)c1nc(CN[C@H](C)c2ccccn2)c2ccccn21 ZINC000651666411 1129743554 /nfs/dbraw/zinc/74/35/54/1129743554.db2.gz BDRDSTYLRRHAOZ-CQSZACIVSA-N 0 1 294.402 3.704 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C2CCCCCCC2)n1 ZINC000721033498 1129743765 /nfs/dbraw/zinc/74/37/65/1129743765.db2.gz XRAHMXSAOIOEIU-CYBMUJFWSA-N 0 1 265.401 3.943 20 0 CHADMN Cn1ccc(CN[C@@H]2CCc3ccc(F)c(Cl)c32)c1 ZINC000651730040 1129746098 /nfs/dbraw/zinc/74/60/98/1129746098.db2.gz YWTIHYMWEPEGGQ-CYBMUJFWSA-N 0 1 278.758 3.595 20 0 CHADMN CC[C@H](NCc1cc2cnccc2o1)c1c(C)noc1C ZINC000651743955 1129746743 /nfs/dbraw/zinc/74/67/43/1129746743.db2.gz LAXZUSHIUUNDKU-AWEZNQCLSA-N 0 1 285.347 3.674 20 0 CHADMN Cc1cnc([C@@H](C)NCc2nc(C(C)C)n3ccccc23)o1 ZINC000651756770 1129748026 /nfs/dbraw/zinc/74/80/26/1129748026.db2.gz IKGDCGAWAYTMPT-CYBMUJFWSA-N 0 1 298.390 3.605 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3ccc(F)c(Cl)c32)ccn1 ZINC000651819292 1129749761 /nfs/dbraw/zinc/74/97/61/1129749761.db2.gz VRHUOHKPTVTJSX-CQSZACIVSA-N 0 1 290.769 3.960 20 0 CHADMN c1ccc2c(c1)COC[C@H]2NCc1cccc2c1CCC2 ZINC000651832216 1129750148 /nfs/dbraw/zinc/75/01/48/1129750148.db2.gz COMVCGVACGPXJN-LJQANCHMSA-N 0 1 279.383 3.536 20 0 CHADMN CCc1ccc(CN2CCC3(CC2)C(F)(F)C3(F)F)o1 ZINC000651901377 1129751441 /nfs/dbraw/zinc/75/14/41/1129751441.db2.gz JLSDXOITLGTRHK-UHFFFAOYSA-N 0 1 291.288 3.708 20 0 CHADMN C=Cn1cc(CN(C)[C@H](C)CSc2ccccc2)cn1 ZINC000651875394 1129751458 /nfs/dbraw/zinc/75/14/58/1129751458.db2.gz CVDLSXNCWKIDPM-CQSZACIVSA-N 0 1 287.432 3.596 20 0 CHADMN CC1(C)CCC[C@H](CN2CC[C@](F)(c3ccccc3)C2)O1 ZINC001169746348 1129751867 /nfs/dbraw/zinc/75/18/67/1129751867.db2.gz YGTWBPOHKIMBLX-SJLPKXTDSA-N 0 1 291.410 3.905 20 0 CHADMN CCc1cccc(CNCc2cn(C)nc2C(C)(C)C)c1 ZINC000652032837 1129755308 /nfs/dbraw/zinc/75/53/08/1129755308.db2.gz GCSJLIYKWDENLN-UHFFFAOYSA-N 0 1 285.435 3.570 20 0 CHADMN CC1=C(Br)CN(CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC001169790857 1129756782 /nfs/dbraw/zinc/75/67/82/1129756782.db2.gz FBAVMASYWSBDEB-OLZOCXBDSA-N 0 1 284.241 3.797 20 0 CHADMN CC1=C(Br)CN(CCCC2CC2)CC1 ZINC001169792087 1129756948 /nfs/dbraw/zinc/75/69/48/1129756948.db2.gz QSPVQGVKBCTUGO-UHFFFAOYSA-N 0 1 258.203 3.551 20 0 CHADMN COc1cc(C)ccc1-c1cc2cn[nH]c2cc1C ZINC001242284243 1129756973 /nfs/dbraw/zinc/75/69/73/1129756973.db2.gz BJGSSRNSFUHYMI-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN Cc1ccc(F)c(CN(C)C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1 ZINC001169822370 1129759374 /nfs/dbraw/zinc/75/93/74/1129759374.db2.gz SVOZSDQLENVOEX-JLJPHGGASA-N 0 1 277.383 3.524 20 0 CHADMN CC[C@H](NC1(c2ccccc2C)CCC1)c1ccn(C)n1 ZINC000652216980 1129760203 /nfs/dbraw/zinc/76/02/03/1129760203.db2.gz LITPHHCGGOQXEG-INIZCTEOSA-N 0 1 283.419 3.849 20 0 CHADMN CC[C@@H](OCCN[C@@H](C)c1nccnc1C)c1ccccc1 ZINC000652236096 1129761009 /nfs/dbraw/zinc/76/10/09/1129761009.db2.gz CWGUDELQKYYRQZ-DOTOQJQBSA-N 0 1 299.418 3.604 20 0 CHADMN CCOCCCCCC(=O)Nc1cccc(Cl)c1O ZINC000867012153 1129763172 /nfs/dbraw/zinc/76/31/72/1129763172.db2.gz BLNDBVPMLGWHML-UHFFFAOYSA-N 0 1 285.771 3.581 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1ccc(C)s1)C2 ZINC001204029981 1129765748 /nfs/dbraw/zinc/76/57/48/1129765748.db2.gz PJDRYBLJOZRXFC-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN CN(C)Cc1ccc(-c2c(F)cccc2C(F)(F)F)nc1 ZINC001242302107 1129770022 /nfs/dbraw/zinc/77/00/22/1129770022.db2.gz FWKXNCPGJDOIRO-UHFFFAOYSA-N 0 1 298.283 3.968 20 0 CHADMN Cc1cccc(CN2CCN(C)C[C@@H]2c2ccccc2)c1F ZINC001137672473 1131396614 /nfs/dbraw/zinc/39/66/14/1131396614.db2.gz ITRDAZYVQYHYEC-GOSISDBHSA-N 0 1 298.405 3.623 20 0 CHADMN Cc1nsc(C)c1CN1CCCc2sccc2C1 ZINC000653554834 1129784199 /nfs/dbraw/zinc/78/41/99/1129784199.db2.gz ZVZZTQXTWZGOHI-UHFFFAOYSA-N 0 1 278.446 3.770 20 0 CHADMN Fc1cccc([C@H]2CCN2CCc2noc3ccccc32)c1 ZINC000653564886 1129785235 /nfs/dbraw/zinc/78/52/35/1129785235.db2.gz QQQAUPHNRIAURV-QGZVFWFLSA-N 0 1 296.345 3.956 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc3c(c2)OCCO3)c(C)o1 ZINC000767338521 1129785495 /nfs/dbraw/zinc/78/54/95/1129785495.db2.gz GQQRVYVRZLIMCD-LBPRGKRZSA-N 0 1 287.359 3.518 20 0 CHADMN COc1ccccc1[C@H](C)NCc1c(C)nsc1C ZINC000653597330 1129787204 /nfs/dbraw/zinc/78/72/04/1129787204.db2.gz LKJIWOILUJATKW-JTQLQIEISA-N 0 1 276.405 3.619 20 0 CHADMN Cc1nsc(C)c1CN[C@@H](C)c1ccsc1 ZINC000653663103 1129790499 /nfs/dbraw/zinc/79/04/99/1129790499.db2.gz BUCJXUPHCIXSLZ-QMMMGPOBSA-N 0 1 252.408 3.672 20 0 CHADMN Cc1ccnc([C@H]2CCN(Cc3ccc(F)cc3F)C2)c1 ZINC000653748432 1129793947 /nfs/dbraw/zinc/79/39/47/1129793947.db2.gz JUNYFJDPJHKBEF-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN CC1=C(C)C[N@@H+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000796590348 1129794732 /nfs/dbraw/zinc/79/47/32/1129794732.db2.gz SXNMRIMAMZETEW-HNNXBMFYSA-N 0 1 283.774 3.555 20 0 CHADMN CC(C)C[C@@H](C)N[C@@H](Cc1ccccc1)c1ncco1 ZINC000653911767 1129801409 /nfs/dbraw/zinc/80/14/09/1129801409.db2.gz AAUMNHIPAAFLTM-ZBFHGGJFSA-N 0 1 272.392 3.983 20 0 CHADMN CC/C=C\CCN[C@@H](Cc1ccccc1)c1ncco1 ZINC000653913576 1129802418 /nfs/dbraw/zinc/80/24/18/1129802418.db2.gz VGYTWDIECUOVJO-QGZUEGPWSA-N 0 1 270.376 3.904 20 0 CHADMN COc1cc(C)c(NCc2[nH]nc3ccccc32)cc1C ZINC000767740090 1129810986 /nfs/dbraw/zinc/81/09/86/1129810986.db2.gz RROVRPVKKZXJSV-UHFFFAOYSA-N 0 1 281.359 3.800 20 0 CHADMN Cc1nc([C@H](C)NC2CC(C)(C)N(O)C(C)(C)C2)cs1 ZINC001169975431 1129814352 /nfs/dbraw/zinc/81/43/52/1129814352.db2.gz UNSWPKHKCNXFOZ-JTQLQIEISA-N 0 1 297.468 3.513 20 0 CHADMN CCOC(CN1[C@H](C)Cc2cc(F)ccc2[C@H]1C)OCC ZINC000767822999 1129816282 /nfs/dbraw/zinc/81/62/82/1129816282.db2.gz PVDRTLJJSPKQFY-CHWSQXEVSA-N 0 1 295.398 3.532 20 0 CHADMN C[C@]1(c2ccc(F)cc2)CCN(C/C=C\Cl)C1 ZINC000796608899 1129817756 /nfs/dbraw/zinc/81/77/56/1129817756.db2.gz IUAFJEJGHJIUHT-OLUUIJGHSA-N 0 1 253.748 3.542 20 0 CHADMN CCC[C@H](C)N(C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000654500840 1129827263 /nfs/dbraw/zinc/82/72/63/1129827263.db2.gz ZIPKXNXHSOILOF-VIFPVBQESA-N 0 1 289.297 3.672 20 0 CHADMN CCCCn1nc(C)c(CN2CCC(C)CC2)c1Cl ZINC000768142943 1129833035 /nfs/dbraw/zinc/83/30/35/1129833035.db2.gz JKVXFRHXZHFCKR-UHFFFAOYSA-N 0 1 283.847 3.877 20 0 CHADMN COc1cccc2cc(CN(C)Cc3ccc(C)o3)oc21 ZINC000768168485 1129838163 /nfs/dbraw/zinc/83/81/63/1129838163.db2.gz JJCOFZDPXFBBIZ-UHFFFAOYSA-N 0 1 285.343 3.975 20 0 CHADMN C[C@@H](O)[C@H](C)NCc1c(Cl)ccc(Cl)c1Cl ZINC000381509447 1129840772 /nfs/dbraw/zinc/84/07/72/1129840772.db2.gz NRDYVPZNVHTLIA-NKWVEPMBSA-N 0 1 282.598 3.506 20 0 CHADMN C[C@H]1CN(Cc2cnn(C(C)(C)C)c2)Cc2ccccc21 ZINC000768195008 1129841927 /nfs/dbraw/zinc/84/19/27/1129841927.db2.gz IQOFYUJNJDSAGI-AWEZNQCLSA-N 0 1 283.419 3.757 20 0 CHADMN CCN(C)c1ccccc1CN[C@@H](C)c1cncc(C)c1 ZINC000768220068 1129844560 /nfs/dbraw/zinc/84/45/60/1129844560.db2.gz ZRXJFFRHMBOWOX-HNNXBMFYSA-N 0 1 283.419 3.697 20 0 CHADMN CCc1ccc(-c2nc3nc[nH]c3c(C(F)(F)F)n2)cc1 ZINC001239587491 1131401565 /nfs/dbraw/zinc/40/15/65/1131401565.db2.gz GUZRFTBCCWXTKP-UHFFFAOYSA-N 0 1 292.264 3.553 20 0 CHADMN FC(F)(F)Sc1ccc(CN2CCSCC2)cc1 ZINC000768236220 1129846720 /nfs/dbraw/zinc/84/67/20/1129846720.db2.gz CDMBCJFEGMSPJD-UHFFFAOYSA-N 0 1 293.379 3.847 20 0 CHADMN CN(Cc1ccc(Cl)nc1)Cc1cncc2ccccc21 ZINC000768237929 1129846805 /nfs/dbraw/zinc/84/68/05/1129846805.db2.gz SPKRVEDKCUUTJV-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN c1ccc(CCN(Cc2nc3ccccc3[nH]2)C2CC2)cc1 ZINC000768253002 1129847541 /nfs/dbraw/zinc/84/75/41/1129847541.db2.gz UJMJNCVXHMFEDQ-UHFFFAOYSA-N 0 1 291.398 3.770 20 0 CHADMN CN(Cc1ccc(Cl)nc1)Cc1cccc2cc[nH]c21 ZINC000768237373 1129847821 /nfs/dbraw/zinc/84/78/21/1129847821.db2.gz MEKKPXSIYJCOGE-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN C[C@H]1CCC[C@H](N(C)Cc2c(Cl)nc(Cl)n2C)C1 ZINC000768261345 1129848536 /nfs/dbraw/zinc/84/85/36/1129848536.db2.gz CFFLJRIYUGOECC-UWVGGRQHSA-N 0 1 290.238 3.737 20 0 CHADMN C[C@@H](N[C@@H](C)c1c(F)cccc1F)[C@@H]1CCCCO1 ZINC000381803095 1129850447 /nfs/dbraw/zinc/85/04/47/1129850447.db2.gz QJVRKGSJTJXNDM-SUNKGSAMSA-N 0 1 269.335 3.573 20 0 CHADMN CC(C)(C)c1coc(CNC2(C3CCC3)CCC2)n1 ZINC000724427742 1129852657 /nfs/dbraw/zinc/85/26/57/1129852657.db2.gz AVFPSDJOXAOZEC-UHFFFAOYSA-N 0 1 262.397 3.785 20 0 CHADMN Cc1cc(Cl)nc(CNCc2ccnc3ccccc23)c1 ZINC000800282198 1129863228 /nfs/dbraw/zinc/86/32/28/1129863228.db2.gz IDAZFVJNEZDNFH-UHFFFAOYSA-N 0 1 297.789 3.881 20 0 CHADMN Cc1cc(Cl)nc(CNCc2cccc3cc[nH]c32)c1 ZINC000800286226 1129863720 /nfs/dbraw/zinc/86/37/20/1129863720.db2.gz XXJQTXGMVQVXSK-UHFFFAOYSA-N 0 1 285.778 3.815 20 0 CHADMN Cc1cc(Cl)nc(CNC/C=C/c2ccc(F)cc2)c1 ZINC000800283444 1129864283 /nfs/dbraw/zinc/86/42/83/1129864283.db2.gz PUPPFGQVNPARPK-NSCUHMNNSA-N 0 1 290.769 3.986 20 0 CHADMN CC(Cl)=CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000900106740 1129864935 /nfs/dbraw/zinc/86/49/35/1129864935.db2.gz UBEWWSGYAUZHOI-QSYFUGGGSA-N 0 1 291.782 3.519 20 0 CHADMN Cc1noc(C)c1CN(C)CCSC1CCCCC1 ZINC000800330965 1129866342 /nfs/dbraw/zinc/86/63/42/1129866342.db2.gz ZMUFWYGFEXMZQA-UHFFFAOYSA-N 0 1 282.453 3.789 20 0 CHADMN CCN(C(=O)c1cc(C(F)F)n[nH]1)c1cc(C)cc(C)c1 ZINC000900156024 1129866584 /nfs/dbraw/zinc/86/65/84/1129866584.db2.gz ZWTLUVHTYKDSAP-UHFFFAOYSA-N 0 1 293.317 3.631 20 0 CHADMN Cc1noc(C)c1CN(C)Cc1ccccc1C1CC1 ZINC000768780101 1129874166 /nfs/dbraw/zinc/87/41/66/1129874166.db2.gz KRCNNMFOIAUVCX-UHFFFAOYSA-N 0 1 270.376 3.801 20 0 CHADMN CCc1cccc(C)c1NC(=O)[C@@H]1C[C@H](C)Cc2cn[nH]c21 ZINC000900305580 1129876977 /nfs/dbraw/zinc/87/69/77/1129876977.db2.gz QBYJTPNUVQMTLD-IAQYHMDHSA-N 0 1 297.402 3.585 20 0 CHADMN Cc1cc(C)cc([C@H](O)CN2CCc3cc(F)ccc3C2)c1 ZINC000768828465 1129877278 /nfs/dbraw/zinc/87/72/78/1129877278.db2.gz ZSGXEEXCVGTLJV-LJQANCHMSA-N 0 1 299.389 3.534 20 0 CHADMN CN1CCc2c(F)cc(/C=C/c3ccccc3)cc2C1 ZINC001239592437 1131404105 /nfs/dbraw/zinc/40/41/05/1131404105.db2.gz FKQLDRIOETXDEL-BQYQJAHWSA-N 0 1 267.347 3.984 20 0 CHADMN CCC1CCN(Cc2cnc(Cl)c(C)c2)CC1 ZINC000768930880 1129882124 /nfs/dbraw/zinc/88/21/24/1129882124.db2.gz FAKZMSMIPOSACY-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN CCN(CCc1ccccn1)Cc1cc(F)c(F)cc1F ZINC000769034265 1129887948 /nfs/dbraw/zinc/88/79/48/1129887948.db2.gz CGRPGDCTWSKCEY-UHFFFAOYSA-N 0 1 294.320 3.564 20 0 CHADMN CN(Cc1occc1Br)CC1CCCC1 ZINC000769191907 1129892099 /nfs/dbraw/zinc/89/20/99/1129892099.db2.gz LAWAEVWGKLZSOW-UHFFFAOYSA-N 0 1 272.186 3.664 20 0 CHADMN COc1ccc([C@@H]2CCN(Cc3coc(C4CC4)n3)C2)cc1 ZINC000769245476 1129898782 /nfs/dbraw/zinc/89/87/82/1129898782.db2.gz UDFAGNKNLDMLET-OAHLLOKOSA-N 0 1 298.386 3.550 20 0 CHADMN Fc1cccc2c1CCN(CC1=Cc3ccccc3OC1)C2 ZINC000769387802 1129905121 /nfs/dbraw/zinc/90/51/21/1129905121.db2.gz OIWAIGJPSBPDFR-UHFFFAOYSA-N 0 1 295.357 3.660 20 0 CHADMN CCCO[C@H]1CCCN(Cc2cnc(Cl)c(C)c2)CC1 ZINC000769383679 1129905275 /nfs/dbraw/zinc/90/52/75/1129905275.db2.gz GTSDAYPIKRTETR-HNNXBMFYSA-N 0 1 296.842 3.825 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2cccc(O)c2)cnc1Cl ZINC000769384277 1129905301 /nfs/dbraw/zinc/90/53/01/1129905301.db2.gz NBQGGBQVMFGSMH-LBPRGKRZSA-N 0 1 290.794 3.942 20 0 CHADMN C[C@H]1CCN(Cc2occc2Br)C[C@H]1C ZINC000769452413 1129911336 /nfs/dbraw/zinc/91/13/36/1129911336.db2.gz QIYXDNPYKVWYIT-VHSXEESVSA-N 0 1 272.186 3.520 20 0 CHADMN COCCN(CCC(F)(F)F)Cc1ccc(C)c(C)c1 ZINC000769505311 1129914233 /nfs/dbraw/zinc/91/42/33/1129914233.db2.gz DOUWOEPLBAGTRD-UHFFFAOYSA-N 0 1 289.341 3.704 20 0 CHADMN CC(C)CC[C@@H]1CCCN1Cc1coc(C2CC2)n1 ZINC000769537251 1129916548 /nfs/dbraw/zinc/91/65/48/1129916548.db2.gz JJWIVMSOBRTPJR-HNNXBMFYSA-N 0 1 262.397 3.953 20 0 CHADMN CC[C@H](C)CN(CC)Cc1c(Cl)nc(Cl)n1C ZINC000769538850 1129916565 /nfs/dbraw/zinc/91/65/65/1129916565.db2.gz YGVOJEGZMCMDIW-VIFPVBQESA-N 0 1 278.227 3.595 20 0 CHADMN Fc1cccc([C@@H](NCCOC(F)F)c2ccccc2)c1 ZINC000901391907 1129920179 /nfs/dbraw/zinc/92/01/79/1129920179.db2.gz HWUNDNPDEYYWJY-HNNXBMFYSA-N 0 1 295.304 3.744 20 0 CHADMN C[C@@H]1Cc2ccccc2N1C(=O)c1c(O)cccc1Cl ZINC000769647884 1129920404 /nfs/dbraw/zinc/92/04/04/1129920404.db2.gz UENOENDNBNAKJQ-SNVBAGLBSA-N 0 1 287.746 3.637 20 0 CHADMN CC(C)(C)[C@H](N)c1cc(-c2ccccc2OC(F)F)no1 ZINC000901396465 1129920460 /nfs/dbraw/zinc/92/04/60/1129920460.db2.gz SSQMKTQGZOUJTH-CYBMUJFWSA-N 0 1 296.317 3.989 20 0 CHADMN Cc1ccc(N(C)C(=O)c2c(O)cccc2Cl)cc1 ZINC000769749155 1129924186 /nfs/dbraw/zinc/92/41/86/1129924186.db2.gz ONLFWGJAUQVMOV-UHFFFAOYSA-N 0 1 275.735 3.631 20 0 CHADMN CC[N@@H+](CC(=O)[O-])Cc1cccc(-c2ccccc2C)c1 ZINC000901426337 1129924515 /nfs/dbraw/zinc/92/45/15/1129924515.db2.gz GQBRKENCUSLOSV-UHFFFAOYSA-N 0 1 283.371 3.569 20 0 CHADMN S=c1oc2ccccc2n1CN1CCCC2(CC2)C1 ZINC000769800012 1129926425 /nfs/dbraw/zinc/92/64/25/1129926425.db2.gz RWZNBKVIODWZCK-UHFFFAOYSA-N 0 1 274.389 3.797 20 0 CHADMN CCn1nc(CNCc2c(C)cccc2C)c2ccccc21 ZINC000769916935 1129929382 /nfs/dbraw/zinc/92/93/82/1129929382.db2.gz KSKUZPLMKUGFGO-UHFFFAOYSA-N 0 1 293.414 3.963 20 0 CHADMN CC(C)C1CCC(C[N@H+]2C[C@H]3CCC[C@]3(C(=O)[O-])C2)CC1 ZINC000901515273 1129933452 /nfs/dbraw/zinc/93/34/52/1129933452.db2.gz AHDOJLPOHUKTSN-IOTAOYMUSA-N 0 1 293.451 3.636 20 0 CHADMN Cc1cc(C)c(/C=C\C[N@@H+](CC(=O)[O-])CC(C)C)c(C)c1 ZINC000901588293 1129938160 /nfs/dbraw/zinc/93/81/60/1129938160.db2.gz VHTPUEDSAGYPBI-SREVYHEPSA-N 0 1 289.419 3.668 20 0 CHADMN O=C(Nc1cncc2ccccc21)c1c(O)cccc1Cl ZINC000770129009 1129940588 /nfs/dbraw/zinc/94/05/88/1129940588.db2.gz JWJCTHTXPYWBID-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN COC[C@H](SCc1n[nH]c(C(C)C)n1)c1ccccc1 ZINC000901664946 1129942435 /nfs/dbraw/zinc/94/24/35/1129942435.db2.gz UBUACADNBHEZDT-ZDUSSCGKSA-N 0 1 291.420 3.549 20 0 CHADMN CC(=CC(=O)Nc1ccc2c(C)[nH]nc2c1)c1ccccc1 ZINC000770257738 1129942685 /nfs/dbraw/zinc/94/26/85/1129942685.db2.gz KGDSZRWCAZAPSW-BENRWUELSA-N 0 1 291.354 3.913 20 0 CHADMN C[C@H]1CCCC[C@H]1C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000901671606 1129942917 /nfs/dbraw/zinc/94/29/17/1129942917.db2.gz BPNJODYYQVDKSA-BBRMVZONSA-N 0 1 287.403 3.569 20 0 CHADMN CCC[C@H](C[N@H+]1CCC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000901697457 1129945693 /nfs/dbraw/zinc/94/56/93/1129945693.db2.gz FIKYZZSDALYROD-AEFFLSMTSA-N 0 1 289.419 3.757 20 0 CHADMN O=C(CCNc1cc(OCC2CC2)ccn1)c1ccccc1 ZINC001170014724 1129947489 /nfs/dbraw/zinc/94/74/89/1129947489.db2.gz DUBRCZXYKHSDFA-UHFFFAOYSA-N 0 1 296.370 3.555 20 0 CHADMN CC1=C[C@@H](C)C[C@H](C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)C1 ZINC000901746650 1129949505 /nfs/dbraw/zinc/94/95/05/1129949505.db2.gz VEDALBYLSAJCSO-HIFRSBDPSA-N 0 1 299.414 3.735 20 0 CHADMN CN1Cc2ccc(NCc3cnc4ccccc4c3)cc2C1 ZINC000770529891 1129950393 /nfs/dbraw/zinc/95/03/93/1129950393.db2.gz WRXTVCAYVCNHFZ-UHFFFAOYSA-N 0 1 289.382 3.792 20 0 CHADMN CC1(C)Oc2ccc(NCc3[nH]nc4ccccc43)cc2O1 ZINC000770528728 1129950407 /nfs/dbraw/zinc/95/04/07/1129950407.db2.gz XSQIHCFLHBVISZ-UHFFFAOYSA-N 0 1 295.342 3.682 20 0 CHADMN CC1=C[C@@H](C)C[C@H](C[N@H+]2CCc3cccc(C(=O)[O-])c3C2)C1 ZINC000901779922 1129952313 /nfs/dbraw/zinc/95/23/13/1129952313.db2.gz VNCOBPGPBYRNKJ-HIFRSBDPSA-N 0 1 299.414 3.735 20 0 CHADMN CCC[C@H](CC1CCCCC1)C(=O)OCc1n[nH]c(C)n1 ZINC000770639795 1129953015 /nfs/dbraw/zinc/95/30/15/1129953015.db2.gz KMTUYSMKVPEOCR-CQSZACIVSA-N 0 1 293.411 3.543 20 0 CHADMN Cn1cc(CNC(C)(C)c2ccc(F)cc2)c(C(F)F)n1 ZINC000770665173 1129954370 /nfs/dbraw/zinc/95/43/70/1129954370.db2.gz CAODCYNWQZUEMZ-UHFFFAOYSA-N 0 1 297.324 3.522 20 0 CHADMN Fc1ccc(CN2CC[C@H](c3cccc(Cl)c3)C2)cn1 ZINC001137741769 1131410311 /nfs/dbraw/zinc/41/03/11/1131410311.db2.gz WPPFHJJFEYUVRU-AWEZNQCLSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1cnc(Cl)c(C)c1 ZINC000770747799 1129958332 /nfs/dbraw/zinc/95/83/32/1129958332.db2.gz CVSGMOTYIDKQPG-LBPRGKRZSA-N 0 1 275.783 3.598 20 0 CHADMN CC(C)(C)SCCN(Cc1ccco1)C[C@H]1CCCO1 ZINC000801915968 1129958481 /nfs/dbraw/zinc/95/84/81/1129958481.db2.gz OLNSTXLNQFRFEZ-OAHLLOKOSA-N 0 1 297.464 3.792 20 0 CHADMN CCC[C@@H](C)c1noc(-c2ccc(O)c(Cl)c2)n1 ZINC000770873674 1129959535 /nfs/dbraw/zinc/95/95/35/1129959535.db2.gz AKCHODJGJGJROK-MRVPVSSYSA-N 0 1 266.728 3.999 20 0 CHADMN CC(C)(C)SCCN1CCO[C@](C)(c2ccccc2)C1 ZINC000801927010 1129959994 /nfs/dbraw/zinc/95/99/94/1129959994.db2.gz FWKPSJCUJPEGPC-KRWDZBQOSA-N 0 1 293.476 3.766 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000901965986 1129968401 /nfs/dbraw/zinc/96/84/01/1129968401.db2.gz AHPMCHQKVJXJAF-CABCVRRESA-N 0 1 267.413 3.698 20 0 CHADMN CCC[C@@H](C[N@@H+](CCC(=O)[O-])C1CC1)c1ccccc1 ZINC000901970904 1129968596 /nfs/dbraw/zinc/96/85/96/1129968596.db2.gz DZEMKRUPAMWVRV-HNNXBMFYSA-N 0 1 275.392 3.509 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])C[C@@H](C)CC1CCCCC1 ZINC000901980254 1129969031 /nfs/dbraw/zinc/96/90/31/1129969031.db2.gz KTPKLLMINZVUCF-AWEZNQCLSA-N 0 1 269.429 3.778 20 0 CHADMN CC1=C[C@H](C)C[C@@H](C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])C1 ZINC000901990788 1129969799 /nfs/dbraw/zinc/96/97/99/1129969799.db2.gz SEMLUKXITDIRBN-JCKWVBRZSA-N 0 1 299.414 3.663 20 0 CHADMN C[C@H](C[N@@H+](CCCC1CCCCC1)C1CC1)C(=O)[O-] ZINC000901995197 1129970402 /nfs/dbraw/zinc/97/04/02/1129970402.db2.gz YKYRMSJRLUJLKL-CYBMUJFWSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@H](C[N@@H+](Cc1ccc(C(C)(C)C)s1)C1CC1)C(=O)[O-] ZINC000901994464 1129970608 /nfs/dbraw/zinc/97/06/08/1129970608.db2.gz XRTIYFIMHHQUBH-NSHDSACASA-N 0 1 295.448 3.731 20 0 CHADMN C[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000901997022 1129970706 /nfs/dbraw/zinc/97/07/06/1129970706.db2.gz KWRKZYZMXIKLBE-NVXWUHKLSA-N 0 1 289.419 3.585 20 0 CHADMN CC1(C)CCC[C@@H](C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])C1 ZINC000901998713 1129970806 /nfs/dbraw/zinc/97/08/06/1129970806.db2.gz XIJZRPOHPCTNNZ-HUUCEWRRSA-N 0 1 281.440 3.922 20 0 CHADMN CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CC(=O)[O-])c1ccccc1 ZINC000902006817 1129970992 /nfs/dbraw/zinc/97/09/92/1129970992.db2.gz HIMHSICSRARLAO-DLBZAZTESA-N 0 1 289.419 3.755 20 0 CHADMN Cc1oc2ccccc2c1C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000902021366 1129971930 /nfs/dbraw/zinc/97/19/30/1129971930.db2.gz ADQJJNUSUJXMRE-HNNXBMFYSA-N 0 1 289.375 3.672 20 0 CHADMN C[C@H]1CC[N@@H+](CCCC2CCCCC2)[C@@H](C(=O)[O-])C1 ZINC000902017234 1129972131 /nfs/dbraw/zinc/97/21/31/1129972131.db2.gz ORMWOOSTMRLIOG-DZGCQCFKSA-N 0 1 267.413 3.532 20 0 CHADMN CCC[C@@H](NCc1cn(CC)cn1)c1ccccc1 ZINC000902034188 1129973035 /nfs/dbraw/zinc/97/30/35/1129973035.db2.gz HYLRXUMKJGNXFM-MRXNPFEDSA-N 0 1 257.381 3.534 20 0 CHADMN CC[C@@H](C[N@H+]1CCCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000902039251 1129973220 /nfs/dbraw/zinc/97/32/20/1129973220.db2.gz QGRGKZHXEZWAMX-GOEBONIOSA-N 0 1 275.392 3.509 20 0 CHADMN CCc1ccc([C@H](NCc2cn(CC)cn2)C(C)C)cc1 ZINC000902043256 1129974148 /nfs/dbraw/zinc/97/41/48/1129974148.db2.gz WLNLZFFVRAQKOB-GOSISDBHSA-N 0 1 285.435 3.952 20 0 CHADMN C[C@@H]1CC/C(=C/C(=O)Nc2cc(F)cc(Cl)c2O)C1 ZINC000771508412 1129982783 /nfs/dbraw/zinc/98/27/83/1129982783.db2.gz DYHHETCZEKSQLZ-CPJBWDMUSA-N 0 1 283.730 3.870 20 0 CHADMN C[C@H]1CC/C(=C\C(=O)Nc2cc(F)cc(Cl)c2O)C1 ZINC000771508480 1129982992 /nfs/dbraw/zinc/98/29/92/1129982992.db2.gz DYHHETCZEKSQLZ-MOIHINDBSA-N 0 1 283.730 3.870 20 0 CHADMN CCNc1ccccc1CNCc1ccc(F)cc1F ZINC000902130432 1129983426 /nfs/dbraw/zinc/98/34/26/1129983426.db2.gz GQLCKOSTTKCHMN-UHFFFAOYSA-N 0 1 276.330 3.686 20 0 CHADMN CC(=CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C)C1CC1 ZINC000771669016 1129986976 /nfs/dbraw/zinc/98/69/76/1129986976.db2.gz RMKNLWGWYCTUMN-CMDGGOBGSA-N 0 1 285.347 3.581 20 0 CHADMN Cc1cc([C@@H]2CCCN2c2ccnc(C)c2Cl)no1 ZINC000798387354 1129988368 /nfs/dbraw/zinc/98/83/68/1129988368.db2.gz FAAWBSZTSBLWQB-LBPRGKRZSA-N 0 1 277.755 3.681 20 0 CHADMN CNc1ccccc1CNC1(c2ccc(OC)cc2)CC1 ZINC000902221826 1129991032 /nfs/dbraw/zinc/99/10/32/1129991032.db2.gz IQNVWKGEETYUMX-UHFFFAOYSA-N 0 1 282.387 3.516 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@](C)(c2ccccc2)C1)C(=O)[O-] ZINC000902258810 1129994037 /nfs/dbraw/zinc/99/40/37/1129994037.db2.gz XWYHPQOOPNBWRA-SFHVURJKSA-N 0 1 289.419 3.541 20 0 CHADMN CCn1cnc(CN[C@H](CC2CC2)c2ccccc2)c1 ZINC000902274538 1129995220 /nfs/dbraw/zinc/99/52/20/1129995220.db2.gz ATEIUXXVJJRWGV-QGZVFWFLSA-N 0 1 269.392 3.534 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C[C@H]1C ZINC000902282338 1129995943 /nfs/dbraw/zinc/99/59/43/1129995943.db2.gz PVBIVSHCXYZNPP-BETUJISGSA-N 0 1 299.370 3.733 20 0 CHADMN Cc1cc(C[N@H+]2CCC=C(c3ccccc3)C2)oc1C(=O)[O-] ZINC000902325574 1130000075 /nfs/dbraw/zinc/00/00/75/1130000075.db2.gz LUJCZJSSYZSZMU-UHFFFAOYSA-N 0 1 297.354 3.576 20 0 CHADMN CC(C)c1ccc(NC(=O)CN(C)[C@H](C)C2(C)CC2)cc1 ZINC000752357100 1130004828 /nfs/dbraw/zinc/00/48/28/1130004828.db2.gz ZDOWFNABNFEBSM-CQSZACIVSA-N 0 1 288.435 3.869 20 0 CHADMN COc1ccc(-c2cccc(CN(C)C)c2F)cc1OC ZINC001239618155 1130015565 /nfs/dbraw/zinc/01/55/65/1130015565.db2.gz SUPLQYQZQKYVQZ-UHFFFAOYSA-N 0 1 289.350 3.572 20 0 CHADMN CC(=O)c1ccc(-c2cc(N3CCCC3)ccn2)cc1 ZINC001239628313 1130021472 /nfs/dbraw/zinc/02/14/72/1130021472.db2.gz ONOWDBLBMNSYBP-UHFFFAOYSA-N 0 1 266.344 3.551 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)[C@@H](C)C(C)C ZINC000902546455 1130022325 /nfs/dbraw/zinc/02/23/25/1130022325.db2.gz DAXMXIBMJHGJKF-NSHDSACASA-N 0 1 283.799 3.905 20 0 CHADMN CC(=O)c1ccc(-c2cc3[nH]cnc3cc2C)cc1 ZINC001239630414 1130023126 /nfs/dbraw/zinc/02/31/26/1130023126.db2.gz XGSGXAMKFJMGOY-UHFFFAOYSA-N 0 1 250.301 3.741 20 0 CHADMN CNc1ccccc1CNC1(c2ccccc2OC)CC1 ZINC000902606581 1130030838 /nfs/dbraw/zinc/03/08/38/1130030838.db2.gz XRAJZJFMJZHGGI-UHFFFAOYSA-N 0 1 282.387 3.516 20 0 CHADMN CNc1ccc(C)cc1CNCc1nccc2c1CCCC2 ZINC000902651926 1130034605 /nfs/dbraw/zinc/03/46/05/1130034605.db2.gz LWLPXVXKZAIWAT-UHFFFAOYSA-N 0 1 295.430 3.600 20 0 CHADMN FC(F)COc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000796888786 1130037926 /nfs/dbraw/zinc/03/79/26/1130037926.db2.gz LWJONKIDNRQSJF-CYBMUJFWSA-N 0 1 293.317 3.543 20 0 CHADMN COc1ccc(C(C)C)cc1-c1cccc2[nH]nnc21 ZINC001239659916 1130038430 /nfs/dbraw/zinc/03/84/30/1130038430.db2.gz DDQGBEKNTNJNEX-UHFFFAOYSA-N 0 1 267.332 3.757 20 0 CHADMN COc1ccc2c(c1)nccc2-c1nccc2c1ccn2C ZINC001239669514 1130043851 /nfs/dbraw/zinc/04/38/51/1130043851.db2.gz ZIUOUDDKOCMPFZ-UHFFFAOYSA-N 0 1 289.338 3.797 20 0 CHADMN COc1cccc(OC)c1-c1cccc2nc(C)[nH]c21 ZINC001239672108 1130045156 /nfs/dbraw/zinc/04/51/56/1130045156.db2.gz DKRDVRSLJZBSRM-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN C[C@H](N[C@@H](CC(C)(C)C)c1ccccc1)c1cn(C)nn1 ZINC000902746557 1130049615 /nfs/dbraw/zinc/04/96/15/1130049615.db2.gz JZRCFSSHIIWTEV-ZFWWWQNUSA-N 0 1 286.423 3.643 20 0 CHADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C=C1CCCCC1 ZINC000772668592 1130050228 /nfs/dbraw/zinc/05/02/28/1130050228.db2.gz LXVIBETVRGNKML-UHFFFAOYSA-N 0 1 289.423 3.556 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(F)cc2F)cc1F ZINC001239680393 1130050823 /nfs/dbraw/zinc/05/08/23/1130050823.db2.gz RUWVFPVEPIZCNS-UHFFFAOYSA-N 0 1 265.278 3.833 20 0 CHADMN Cc1ccc(Cl)c(OC(=O)c2ccc3cncn3c2)c1 ZINC000785731474 1130051080 /nfs/dbraw/zinc/05/10/80/1130051080.db2.gz UOGIGCUMYOMELC-UHFFFAOYSA-N 0 1 286.718 3.515 20 0 CHADMN CCCCOCCN[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902780652 1130056202 /nfs/dbraw/zinc/05/62/02/1130056202.db2.gz NNECHXOYQDNQQL-LLVKDONJSA-N 0 1 290.329 3.568 20 0 CHADMN CCN(C(=O)c1ccc2cncn2c1)c1ccc(C)cc1C ZINC000785915966 1130062629 /nfs/dbraw/zinc/06/26/29/1130062629.db2.gz BGANRVOFMYCMFH-UHFFFAOYSA-N 0 1 293.370 3.618 20 0 CHADMN Clc1ncccc1CNCc1cccc2cc[nH]c21 ZINC000786162735 1130081459 /nfs/dbraw/zinc/08/14/59/1130081459.db2.gz XRNKPBKQLZATNO-UHFFFAOYSA-N 0 1 271.751 3.506 20 0 CHADMN c1nc2cnc(-c3cncc(Oc4ccccc4)c3)cc2[nH]1 ZINC001239745909 1130087605 /nfs/dbraw/zinc/08/76/05/1130087605.db2.gz SEKLBTSEDCUQRE-UHFFFAOYSA-N 0 1 288.310 3.812 20 0 CHADMN COc1cccc(-c2ccc3[nH]c(C)nc3c2)c1F ZINC001239748645 1130088710 /nfs/dbraw/zinc/08/87/10/1130088710.db2.gz UHDFMFFDLZQDCO-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CCc1nc(OC)ccc1-c1ccc2nc(C)[nH]c2c1 ZINC001239772507 1130101581 /nfs/dbraw/zinc/10/15/81/1130101581.db2.gz KFEJOLAWLKZRJL-UHFFFAOYSA-N 0 1 267.332 3.504 20 0 CHADMN CC(C)[C@@H](N[C@H]1CC(C)(C)c2ccccc21)c1nncn1C ZINC000903062349 1130107092 /nfs/dbraw/zinc/10/70/92/1130107092.db2.gz UJPNTCOEZULVIU-JKSUJKDBSA-N 0 1 298.434 3.524 20 0 CHADMN CCC(F)(F)CN[C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000903069963 1130107929 /nfs/dbraw/zinc/10/79/29/1130107929.db2.gz NEZLMKCRAIFGQF-KGLIPLIRSA-N 0 1 275.383 3.607 20 0 CHADMN CC[C@@H](N[C@@H](c1nncn1C)C(C)C)c1cccc(C)c1 ZINC000903065662 1130107956 /nfs/dbraw/zinc/10/79/56/1130107956.db2.gz RVIUMHQCULPOMF-HZPDHXFCSA-N 0 1 286.423 3.562 20 0 CHADMN CC[C@H](N[C@@H](c1nncn1C)C(C)C)c1cccc(C)c1 ZINC000903065664 1130107969 /nfs/dbraw/zinc/10/79/69/1130107969.db2.gz RVIUMHQCULPOMF-JKSUJKDBSA-N 0 1 286.423 3.562 20 0 CHADMN CC(C)[C@H](N[C@H]1CC[C@@H](C)c2ccccc21)c1nncn1C ZINC000903062526 1130108068 /nfs/dbraw/zinc/10/80/68/1130108068.db2.gz VQJZUAKQFFABHT-COXVUDFISA-N 0 1 298.434 3.740 20 0 CHADMN CC(=O)OCc1cccc([C@@H](C)NCc2ccoc2C)c1 ZINC000903082388 1130109924 /nfs/dbraw/zinc/10/99/24/1130109924.db2.gz RFNGUKYKBPPTOO-GFCCVEGCSA-N 0 1 287.359 3.502 20 0 CHADMN c1ccc([C@@H](Nc2cc3c(cn2)CCCC3)C2CC2)nc1 ZINC000903174253 1130123595 /nfs/dbraw/zinc/12/35/95/1130123595.db2.gz HRHPXDSMOVRMDS-SFHVURJKSA-N 0 1 279.387 3.919 20 0 CHADMN CN(C)c1ccnc(CN[C@H]2CC(C)(C)Cc3occc32)c1 ZINC000903201973 1130128617 /nfs/dbraw/zinc/12/86/17/1130128617.db2.gz SOLFBEXYNDTNFI-INIZCTEOSA-N 0 1 299.418 3.544 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000903201534 1130129023 /nfs/dbraw/zinc/12/90/23/1130129023.db2.gz IPKFYSSLSZCFAR-AUUYWEPGSA-N 0 1 295.430 3.561 20 0 CHADMN COc1ccc(-c2ccc(F)c(CN(C)C)c2)c(C)c1 ZINC001239829992 1130129477 /nfs/dbraw/zinc/12/94/77/1130129477.db2.gz VKHHLCCYEFSEMM-UHFFFAOYSA-N 0 1 273.351 3.871 20 0 CHADMN COCCN(C/C=C\Cl)Cc1ccc(C)cc1C ZINC000746660533 1130138056 /nfs/dbraw/zinc/13/80/56/1130138056.db2.gz XROUDKBRMVJGIF-DAXSKMNVSA-N 0 1 267.800 3.504 20 0 CHADMN COc1ccc(OC)c(-c2ccc3[nH]c(C)nc3c2)c1OC ZINC001239877107 1130145022 /nfs/dbraw/zinc/14/50/22/1130145022.db2.gz IMYFTQICUUJXLV-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN COc1cccc(C2(N[C@H](C)CCCC(C)C)COC2)c1 ZINC001170072052 1130146335 /nfs/dbraw/zinc/14/63/35/1130146335.db2.gz XGSAJYVNDCEBKK-OAHLLOKOSA-N 0 1 291.435 3.725 20 0 CHADMN COc1cncc(-c2ccc3c(c2)C(C(C)C)=NCC3)c1 ZINC001239932507 1130157481 /nfs/dbraw/zinc/15/74/81/1130157481.db2.gz UIVDIFQSPMMGJE-UHFFFAOYSA-N 0 1 280.371 3.758 20 0 CHADMN CC=C(C=CC(=O)Nc1nc2ccc(F)cc2[nH]1)CC ZINC000787685224 1130158929 /nfs/dbraw/zinc/15/89/29/1130158929.db2.gz LHQZYZFEULLHAC-IKJNXXLOSA-N 0 1 273.311 3.553 20 0 CHADMN COCc1cccc(-c2ccc(CN(C)C)c(F)c2)c1 ZINC001239937137 1130159981 /nfs/dbraw/zinc/15/99/81/1130159981.db2.gz AEMIQIQOJZQSFV-UHFFFAOYSA-N 0 1 273.351 3.701 20 0 CHADMN CC(C)c1ccc(N[C@H](c2cccs2)c2nnc[nH]2)cn1 ZINC000903338967 1130161849 /nfs/dbraw/zinc/16/18/49/1130161849.db2.gz IBATVOTVQKVBLU-CQSZACIVSA-N 0 1 299.403 3.586 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@@H](c2ccccn2)C2CC2)cn1 ZINC000903340710 1130162106 /nfs/dbraw/zinc/16/21/06/1130162106.db2.gz SLHUYZXEZCIHNN-CXAGYDPISA-N 0 1 284.407 3.661 20 0 CHADMN C[C@@H](N[C@@H](c1ccccn1)C1CC1)c1ccc(Cl)nc1 ZINC000903340063 1130162391 /nfs/dbraw/zinc/16/23/91/1130162391.db2.gz PEVYFFOZEDAHRK-BDJLRTHQSA-N 0 1 287.794 3.932 20 0 CHADMN C[C@H](N[C@@H](c1ccccn1)C1CC1)c1ccnc(Cl)c1 ZINC000903340604 1130162432 /nfs/dbraw/zinc/16/24/32/1130162432.db2.gz RSEYPUDDFSNVOV-MEDUHNTESA-N 0 1 287.794 3.932 20 0 CHADMN C[C@H](N[C@@H](c1ccccn1)C1CC1)c1cccc(O)c1 ZINC000903341084 1130163516 /nfs/dbraw/zinc/16/35/16/1130163516.db2.gz VVCFHDOVQKBOLQ-YVEFUNNKSA-N 0 1 268.360 3.589 20 0 CHADMN c1c[nH]c([C@H](NC[C@@H]2CCC=CCCC2)c2cccnc2)n1 ZINC000903344616 1130163959 /nfs/dbraw/zinc/16/39/59/1130163959.db2.gz INNBGVXWXYQKEU-NVXWUHKLSA-N 0 1 296.418 3.620 20 0 CHADMN C[C@H](NC[C@H]1CCCC(C)(C)O1)c1cccnc1Cl ZINC000903352983 1130165590 /nfs/dbraw/zinc/16/55/90/1130165590.db2.gz XZOMMGSNRBELNB-NWDGAFQWSA-N 0 1 282.815 3.733 20 0 CHADMN FC(F)(F)COc1ccc(-c2cncc3cc[nH]c32)cn1 ZINC001239951064 1130168100 /nfs/dbraw/zinc/16/81/00/1130168100.db2.gz ZNBNCFSOPIADRL-UHFFFAOYSA-N 0 1 293.248 3.566 20 0 CHADMN COCc1ccccc1-c1cc2[nH]cnc2cc1C ZINC001239952251 1130168744 /nfs/dbraw/zinc/16/87/44/1130168744.db2.gz ZOEKTDVDVCSVMN-UHFFFAOYSA-N 0 1 252.317 3.685 20 0 CHADMN Cc1cncc([C@@H](C)N[C@@H](C)c2cnn(CC3CCC3)c2)c1 ZINC000903403640 1130171463 /nfs/dbraw/zinc/17/14/63/1130171463.db2.gz FDLFOTCRPSHMGR-CABCVRRESA-N 0 1 298.434 3.798 20 0 CHADMN CCCOc1ccc(-c2nccc3[nH]cnc32)c(F)c1F ZINC001239961557 1130173326 /nfs/dbraw/zinc/17/33/26/1130173326.db2.gz KXPYDCPAYARGCX-UHFFFAOYSA-N 0 1 289.285 3.692 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](c2ccncc2)C2CC2)o1 ZINC000903426950 1130174948 /nfs/dbraw/zinc/17/49/48/1130174948.db2.gz CXGSPAOALUSBDT-MLGOLLRUSA-N 0 1 256.349 3.785 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000903595057 1130183504 /nfs/dbraw/zinc/18/35/04/1130183504.db2.gz JCJVWTINYAUVOF-SUMWQHHRSA-N 0 1 285.387 3.771 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](CC)Cc1ccccc1Cl ZINC000903596981 1130183570 /nfs/dbraw/zinc/18/35/70/1130183570.db2.gz YVOSJIAJGQWZRT-SMDDNHRTSA-N 0 1 283.799 3.661 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCCC2(CCCCC2)C1 ZINC000903598657 1130183778 /nfs/dbraw/zinc/18/37/78/1130183778.db2.gz WYKDIGABWOIFEU-KBPBESRZSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000903593979 1130183803 /nfs/dbraw/zinc/18/38/03/1130183803.db2.gz AONFOUMKYXLQKC-ZVZYQTTQSA-N 0 1 289.419 3.539 20 0 CHADMN C=C/C=C\CC[N@@H+](CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000903607451 1130184695 /nfs/dbraw/zinc/18/46/95/1130184695.db2.gz BLHHTRJEAULTMI-KJPDOMRESA-N 0 1 273.376 3.657 20 0 CHADMN O=C([O-])[C@H]1CC[C@@H](c2ccccc2)[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000903609319 1130184777 /nfs/dbraw/zinc/18/47/77/1130184777.db2.gz YZACPHKHEOXUOI-VSZNYVQBSA-N 0 1 299.414 3.713 20 0 CHADMN CCc1ccc2ccccc2c1C[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC000903602581 1130184888 /nfs/dbraw/zinc/18/48/88/1130184888.db2.gz JUSMCVKQBHZSCY-CJNGLKHVSA-N 0 1 297.398 3.697 20 0 CHADMN COc1cc(F)ccc1-c1nc(C)cc2[nH]ccc21 ZINC001239995889 1130185216 /nfs/dbraw/zinc/18/52/16/1130185216.db2.gz YCMVQFSKCDRQOV-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000903632375 1130185659 /nfs/dbraw/zinc/18/56/59/1130185659.db2.gz XRRHLTJZXXFZPO-CJNGLKHVSA-N 0 1 299.370 3.746 20 0 CHADMN CC(C)[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])s2)[C@H]1C(C)C ZINC000903690717 1130189269 /nfs/dbraw/zinc/18/92/69/1130189269.db2.gz OWCNXCPBHUWINJ-JSGCOSHPSA-N 0 1 281.421 3.559 20 0 CHADMN Cn1ccc2c1ccnc2-c1cccc2cnccc21 ZINC001240005694 1130189710 /nfs/dbraw/zinc/18/97/10/1130189710.db2.gz DAFYGVFKYCJVTB-UHFFFAOYSA-N 0 1 259.312 3.789 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@@H+](CCC2(C(=O)[O-])CCC2)CC1 ZINC000903696191 1130190390 /nfs/dbraw/zinc/19/03/90/1130190390.db2.gz RYHGZKFEHNUKBW-AWEZNQCLSA-N 0 1 281.440 3.780 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@@H+](CCC2(C(=O)[O-])CCC2)CC1 ZINC000903696192 1130190457 /nfs/dbraw/zinc/19/04/57/1130190457.db2.gz RYHGZKFEHNUKBW-CQSZACIVSA-N 0 1 281.440 3.780 20 0 CHADMN Cc1cccc(C)c1CN[C@@H](C)c1cn2ccccc2n1 ZINC000788671038 1130201962 /nfs/dbraw/zinc/20/19/62/1130201962.db2.gz VYTATDPLTIFXGM-HNNXBMFYSA-N 0 1 279.387 3.802 20 0 CHADMN CCC[N@H+](Cc1ccc(C(=O)[O-])c2cccnc12)CC1CC1 ZINC000903886123 1130206839 /nfs/dbraw/zinc/20/68/39/1130206839.db2.gz XHMWMODWEHUSDK-UHFFFAOYSA-N 0 1 298.386 3.555 20 0 CHADMN Cc1ccc(C[N@@H+](C)CCC(=O)c2cccs2)s1 ZINC001204033540 1130208111 /nfs/dbraw/zinc/20/81/11/1130208111.db2.gz GDMMGFIFAODVMY-UHFFFAOYSA-N 0 1 279.430 3.823 20 0 CHADMN Cc1ccc(CN(C)CCC(=O)c2cccs2)s1 ZINC001204033540 1130208115 /nfs/dbraw/zinc/20/81/15/1130208115.db2.gz GDMMGFIFAODVMY-UHFFFAOYSA-N 0 1 279.430 3.823 20 0 CHADMN CC[N@@H+](C[C@@H]1C[C@H]1C(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000903887805 1130208260 /nfs/dbraw/zinc/20/82/60/1130208260.db2.gz FJEVBRPEGRQMGU-KWCYVHTRSA-N 0 1 287.359 3.536 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000903899291 1130210454 /nfs/dbraw/zinc/21/04/54/1130210454.db2.gz XAVPZUGCSGRZSI-YZKAXCILSA-N 0 1 299.414 3.665 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000903899290 1130210755 /nfs/dbraw/zinc/21/07/55/1130210755.db2.gz XAVPZUGCSGRZSI-UAMWIQKBSA-N 0 1 299.414 3.665 20 0 CHADMN CCC(C)(C)CC[N@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]1C ZINC000903951455 1130211196 /nfs/dbraw/zinc/21/11/96/1130211196.db2.gz KGKDBRSSJPWZKU-DGAVXFQQSA-N 0 1 269.429 3.632 20 0 CHADMN Cc1cc(C[N@@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]2C)c(C)s1 ZINC000903951706 1130212405 /nfs/dbraw/zinc/21/24/05/1130212405.db2.gz VAHKPDNDSIUGOR-HOZXKAFVSA-N 0 1 295.448 3.685 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCC2=CCCCC2)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903953352 1130213454 /nfs/dbraw/zinc/21/34/54/1130213454.db2.gz QXHMWOPMIVBFHP-HLPPOEQASA-N 0 1 279.424 3.697 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(Cl)cc2)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903952445 1130213489 /nfs/dbraw/zinc/21/34/89/1130213489.db2.gz YJUNJIZEGKVBHZ-NWJSVONSSA-N 0 1 295.810 3.660 20 0 CHADMN Cc1cc(C)cc([C@@H](O)CN2CC[C@@H]2c2cccc(F)c2)c1 ZINC000748832056 1130251176 /nfs/dbraw/zinc/25/11/76/1130251176.db2.gz DCEAIRBZRSGQKL-MOPGFXCFSA-N 0 1 299.389 3.923 20 0 CHADMN Cc1cccc(-c2cccc(CCN3CCOCC3)c2)c1F ZINC001240265906 1130252050 /nfs/dbraw/zinc/25/20/50/1130252050.db2.gz NDGFLZJLIBEWSE-UHFFFAOYSA-N 0 1 299.389 3.676 20 0 CHADMN CN(C)Cc1cccc(-c2ccc(C(F)(F)F)nc2)c1F ZINC001240269793 1130253698 /nfs/dbraw/zinc/25/36/98/1130253698.db2.gz GAXKHMATTYEDRM-UHFFFAOYSA-N 0 1 298.283 3.968 20 0 CHADMN Cn1ccc2c1ccnc2-c1ccc2ncsc2c1 ZINC001240341582 1130270011 /nfs/dbraw/zinc/27/00/11/1130270011.db2.gz NTSPAKSJOQTIRF-UHFFFAOYSA-N 0 1 265.341 3.850 20 0 CHADMN CCOCC1CCN(Cc2cc(OC)ccc2Cl)CC1 ZINC001137265021 1130271225 /nfs/dbraw/zinc/27/12/25/1130271225.db2.gz IKRLJTPMIVYZJA-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN c1n[nH]c2c1CC[N@H+](CCCc1cccc3ccccc31)C2 ZINC000676796277 1130271461 /nfs/dbraw/zinc/27/14/61/1130271461.db2.gz HHOHIZRPBDSLMN-UHFFFAOYSA-N 0 1 291.398 3.554 20 0 CHADMN c1[nH]nc2c1CCN(CCCc1cccc3ccccc31)C2 ZINC000676796277 1130271464 /nfs/dbraw/zinc/27/14/64/1130271464.db2.gz HHOHIZRPBDSLMN-UHFFFAOYSA-N 0 1 291.398 3.554 20 0 CHADMN CC(C)(C)OCCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000676905951 1130276580 /nfs/dbraw/zinc/27/65/80/1130276580.db2.gz YKFQEIHJRWPVIJ-ZDUSSCGKSA-N 0 1 297.826 3.608 20 0 CHADMN Cc1c(CN2CC[C@H](C)C(F)(F)CC2)nc2ccccn12 ZINC001137267471 1130276951 /nfs/dbraw/zinc/27/69/51/1130276951.db2.gz BDYHWFIJYGEMKG-LBPRGKRZSA-N 0 1 293.361 3.510 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2cnc3ccccc3c2)C1 ZINC001137278292 1130281356 /nfs/dbraw/zinc/28/13/56/1130281356.db2.gz SXYOZUJVYDGUBV-QGZVFWFLSA-N 0 1 272.367 3.949 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCC[C@@H](C3CC3)C2)n1 ZINC000677047240 1130284176 /nfs/dbraw/zinc/28/41/76/1130284176.db2.gz SJYMCWBHUZEWLN-TZMCWYRMSA-N 0 1 277.412 3.595 20 0 CHADMN Fc1cc2c(c(F)c1)CC[C@@H]2NCc1ccsc1 ZINC000677043191 1130284234 /nfs/dbraw/zinc/28/42/34/1130284234.db2.gz OXZAJEOBRMYGSB-AWEZNQCLSA-N 0 1 265.328 3.803 20 0 CHADMN CC(C)(C)c1cnc(CN2CCC[C@H](C3CC3)C2)o1 ZINC000677051465 1130284371 /nfs/dbraw/zinc/28/43/71/1130284371.db2.gz MLUGXOLTXDNBLY-ZDUSSCGKSA-N 0 1 262.397 3.594 20 0 CHADMN Cc1ccnc(C2=CCCN(Cc3ccccc3)C2)c1F ZINC001240384070 1130284887 /nfs/dbraw/zinc/28/48/87/1130284887.db2.gz KAHVTDMICDZZBR-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN Cc1nccc(C2=CCCN(Cc3ccccc3)C2)c1F ZINC001240387518 1130286747 /nfs/dbraw/zinc/28/67/47/1130286747.db2.gz UNKYRQLUTWTLIY-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN CCCc1ccc([C@H](C)NCc2ccnn2CC)cc1 ZINC000677140052 1130293904 /nfs/dbraw/zinc/29/39/04/1130293904.db2.gz YVSCTHSTLVUFBD-AWEZNQCLSA-N 0 1 271.408 3.706 20 0 CHADMN CCOc1ccc(CNC(C)(C)c2cccc(F)c2)nc1 ZINC000677149077 1130294246 /nfs/dbraw/zinc/29/42/46/1130294246.db2.gz HUTPOSHZFSNHPG-UHFFFAOYSA-N 0 1 288.366 3.644 20 0 CHADMN CSc1ccc(COc2ccccc2-c2nnc[nH]2)cc1 ZINC000677234983 1130297028 /nfs/dbraw/zinc/29/70/28/1130297028.db2.gz CWGUUEKIADINKP-UHFFFAOYSA-N 0 1 297.383 3.773 20 0 CHADMN COC(=O)c1cc2ccc(-c3ccc4occc4c3)[nH]c-2n1 ZINC001240424151 1130303094 /nfs/dbraw/zinc/30/30/94/1130303094.db2.gz ORUIYRQOLMPOMB-UHFFFAOYSA-N 0 1 292.294 3.763 20 0 CHADMN Cc1cccc2nc(CN3CC[C@H]4CCCC[C@@H]4C3)cn21 ZINC001137302841 1130317780 /nfs/dbraw/zinc/31/77/80/1130317780.db2.gz ZAIWDSNCSQUZBB-HZPDHXFCSA-N 0 1 283.419 3.655 20 0 CHADMN Cc1cccc([C@H](C)OC(=O)c2ccc3cncn3c2)c1 ZINC000790534615 1130319435 /nfs/dbraw/zinc/31/94/35/1130319435.db2.gz RYPUZBREJWCOGX-ZDUSSCGKSA-N 0 1 280.327 3.561 20 0 CHADMN FC(F)(F)CCSc1nc(-c2ccccc2)n[nH]1 ZINC000677644162 1130319563 /nfs/dbraw/zinc/31/95/63/1130319563.db2.gz BVNDCRBPDOONJB-UHFFFAOYSA-N 0 1 273.283 3.516 20 0 CHADMN Cc1cc2cc(-c3cc(N4CCCCC4)ccn3)cnc2[nH]1 ZINC001240474949 1130322541 /nfs/dbraw/zinc/32/25/41/1130322541.db2.gz GSGWFSIDSIVOAT-UHFFFAOYSA-N 0 1 292.386 3.924 20 0 CHADMN FC(F)[C@H]1CCN(Cc2ccccc2C(F)(F)F)C1 ZINC000677731271 1130325176 /nfs/dbraw/zinc/32/51/76/1130325176.db2.gz OAHFQJRPIUNBCL-JTQLQIEISA-N 0 1 279.252 3.792 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2cccc(O)c2)s1 ZINC000677755934 1130329391 /nfs/dbraw/zinc/32/93/91/1130329391.db2.gz ZOJMTKDVEXXUOW-NXEZZACHSA-N 0 1 262.378 3.569 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3ccc(Cl)cc32)[nH]n1 ZINC000677806683 1130331937 /nfs/dbraw/zinc/33/19/37/1130331937.db2.gz JLOPJVMXXDTMRF-OAHLLOKOSA-N 0 1 275.783 3.539 20 0 CHADMN CCCc1ccc(CN[C@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000677811294 1130332082 /nfs/dbraw/zinc/33/20/82/1130332082.db2.gz GBEJMQSQPCYXHR-CYBMUJFWSA-N 0 1 286.423 3.731 20 0 CHADMN CCCc1ccc(CN[C@@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000677811295 1130332781 /nfs/dbraw/zinc/33/27/81/1130332781.db2.gz GBEJMQSQPCYXHR-ZDUSSCGKSA-N 0 1 286.423 3.731 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1ccnc(OC)c1 ZINC000677816784 1130333444 /nfs/dbraw/zinc/33/34/44/1130333444.db2.gz ANHKFVHMBBOWED-KRWDZBQOSA-N 0 1 282.387 3.600 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCC1=CCCC1 ZINC000790824199 1130334057 /nfs/dbraw/zinc/33/40/57/1130334057.db2.gz VVVBQYHANHKNGE-UHFFFAOYSA-N 0 1 296.370 3.961 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCC1=CCCC1 ZINC000790821424 1130334769 /nfs/dbraw/zinc/33/47/69/1130334769.db2.gz JKEHWYYMPCBBJA-UHFFFAOYSA-N 0 1 282.343 3.652 20 0 CHADMN CC[C@H](CNC(=O)c1c(C)n[nH]c1C(C)C)c1ccccc1 ZINC000677848263 1130335164 /nfs/dbraw/zinc/33/51/64/1130335164.db2.gz WOMRXAZBVOQUQT-CQSZACIVSA-N 0 1 299.418 3.765 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N(C)C[C@H](C)c1ccccc1 ZINC000677878769 1130336472 /nfs/dbraw/zinc/33/64/72/1130336472.db2.gz ZHLNWMRSLSTYNH-ZDUSSCGKSA-N 0 1 299.418 3.717 20 0 CHADMN CCOC(=O)c1ccc(-c2cn[nH]c2C)c(C(F)(F)F)c1 ZINC001240521574 1130340351 /nfs/dbraw/zinc/34/03/51/1130340351.db2.gz RCHCJRCUFIVIIU-UHFFFAOYSA-N 0 1 298.264 3.581 20 0 CHADMN CC(C)COc1cccc(CN[C@H](C)c2ccccn2)c1 ZINC000678029003 1130342697 /nfs/dbraw/zinc/34/26/97/1130342697.db2.gz AYVJEPPBWCRRAN-OAHLLOKOSA-N 0 1 284.403 3.967 20 0 CHADMN COC1(CNc2ccc(CN(C)C)c(F)c2)CCCCC1 ZINC000790981261 1130344753 /nfs/dbraw/zinc/34/47/53/1130344753.db2.gz MDTXSQOFEMPKEU-UHFFFAOYSA-N 0 1 294.414 3.649 20 0 CHADMN Cc1cccc([C@H](O)CNCc2ccsc2Cl)c1 ZINC000790978030 1130345066 /nfs/dbraw/zinc/34/50/66/1130345066.db2.gz XPWGTXORBBEFDC-CYBMUJFWSA-N 0 1 281.808 3.533 20 0 CHADMN CCc1cc(CN[C@@H]2C[C@@H](C)c3c2cccc3C)on1 ZINC000678115725 1130350534 /nfs/dbraw/zinc/35/05/34/1130350534.db2.gz YUEDFYLLPIATFP-MLGOLLRUSA-N 0 1 270.376 3.884 20 0 CHADMN c1n[nH]cc1CN(Cc1ccc2ccccc2c1)C1CC1 ZINC000678137058 1130356584 /nfs/dbraw/zinc/35/65/84/1130356584.db2.gz VXZLTQWQOHLPFR-UHFFFAOYSA-N 0 1 277.371 3.728 20 0 CHADMN C[C@@H]1CC[C@H]([N@H+]2Cc3cnc(-c4ccccc4)nc3C2)C1 ZINC001170150692 1130359319 /nfs/dbraw/zinc/35/93/19/1130359319.db2.gz OLOKVZNYROEZOG-CJNGLKHVSA-N 0 1 279.387 3.648 20 0 CHADMN CCCN(Cc1ccn(C)c1)Cc1ccccc1F ZINC000678146820 1130359984 /nfs/dbraw/zinc/35/99/84/1130359984.db2.gz UJHLFHMCAOJNEH-UHFFFAOYSA-N 0 1 260.356 3.576 20 0 CHADMN C[C@H]1CC[C@@H](N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC001170151243 1130360443 /nfs/dbraw/zinc/36/04/43/1130360443.db2.gz GFJPABGVNMAFLE-GXFFZTMASA-N 0 1 284.325 3.647 20 0 CHADMN CN(C)Cc1cc(-c2cccc(-c3cc[nH]n3)c2)ccc1F ZINC001240565236 1130362192 /nfs/dbraw/zinc/36/21/92/1130362192.db2.gz YZAVTHHXAQLRRJ-UHFFFAOYSA-N 0 1 295.361 3.944 20 0 CHADMN CCN(Cc1n[nH]c2ccccc21)[C@@H](C)c1cccc(O)c1 ZINC000678181240 1130366495 /nfs/dbraw/zinc/36/64/95/1130366495.db2.gz RCEGVKMCBPQYIR-ZDUSSCGKSA-N 0 1 295.386 3.852 20 0 CHADMN CCN(Cc1[nH]nc2ccccc21)[C@@H](C)c1cccc(O)c1 ZINC000678181240 1130366514 /nfs/dbraw/zinc/36/65/14/1130366514.db2.gz RCEGVKMCBPQYIR-ZDUSSCGKSA-N 0 1 295.386 3.852 20 0 CHADMN CCNC(=O)Nc1ccc(-c2ccc3nc(C)[nH]c3c2)cc1 ZINC001240578693 1130370538 /nfs/dbraw/zinc/37/05/38/1130370538.db2.gz VFMSJOPSSISFCV-UHFFFAOYSA-N 0 1 294.358 3.680 20 0 CHADMN Oc1ccc(-c2ccc(-c3cc4[nH]cnc4cn3)cc2)cc1 ZINC001240595224 1130379111 /nfs/dbraw/zinc/37/91/11/1130379111.db2.gz LHQBAWGQAYZSFD-UHFFFAOYSA-N 0 1 287.322 3.998 20 0 CHADMN CC[C@H](CN1CCOC[C@@H]1c1ccco1)c1ccccc1 ZINC000678264069 1130382215 /nfs/dbraw/zinc/38/22/15/1130382215.db2.gz JUWBSQSDAOMQKG-NVXWUHKLSA-N 0 1 285.387 3.847 20 0 CHADMN Oc1ccc(-c2ncccc2OC(F)(F)F)c(F)c1F ZINC001243337836 1130384534 /nfs/dbraw/zinc/38/45/34/1130384534.db2.gz DOKKYAVGYWYEDZ-UHFFFAOYSA-N 0 1 291.175 3.631 20 0 CHADMN CC(C)(C)c1n[nH]cc1CN1C2CCCC1CCC2 ZINC000678279268 1130387836 /nfs/dbraw/zinc/38/78/36/1130387836.db2.gz MSJVYDZLZGSIAK-UHFFFAOYSA-N 0 1 261.413 3.614 20 0 CHADMN c1ccc2c(c1)ccnc2CN1CCOC2(CCCCC2)C1 ZINC000678278761 1130389233 /nfs/dbraw/zinc/38/92/33/1130389233.db2.gz DYDUDIUCYJGEIG-UHFFFAOYSA-N 0 1 296.414 3.770 20 0 CHADMN c1cc(CN2C3CCCC2CCC3)c2c(c1)OCCCO2 ZINC000678279477 1130389759 /nfs/dbraw/zinc/38/97/59/1130389759.db2.gz ARHJBJRCPQXZGW-UHFFFAOYSA-N 0 1 287.403 3.755 20 0 CHADMN C[C@H]1CC[C@H](n2cncc2CNCc2ccccc2)C1 ZINC001170159045 1130392750 /nfs/dbraw/zinc/39/27/50/1130392750.db2.gz QVMFUMUQDJCZPH-HOCLYGCPSA-N 0 1 269.392 3.534 20 0 CHADMN Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1[nH]nc2ccccc21 ZINC000678295403 1130393316 /nfs/dbraw/zinc/39/33/16/1130393316.db2.gz YVOVEBRFQGIOQB-SFHVURJKSA-N 0 1 294.402 3.629 20 0 CHADMN Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1n[nH]c2ccccc21 ZINC000678295403 1130393335 /nfs/dbraw/zinc/39/33/35/1130393335.db2.gz YVOVEBRFQGIOQB-SFHVURJKSA-N 0 1 294.402 3.629 20 0 CHADMN Cn1cccc1[C@@H]1CCCCN1Cc1[nH]nc2ccccc21 ZINC000678295403 1130393338 /nfs/dbraw/zinc/39/33/38/1130393338.db2.gz YVOVEBRFQGIOQB-SFHVURJKSA-N 0 1 294.402 3.629 20 0 CHADMN Cc1cc(F)ccc1CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000678315104 1130399082 /nfs/dbraw/zinc/39/90/82/1130399082.db2.gz VALOSROKLNIBGP-UHFFFAOYSA-N 0 1 295.361 3.610 20 0 CHADMN Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc(C)c(F)c1 ZINC000678336242 1130400968 /nfs/dbraw/zinc/40/09/68/1130400968.db2.gz CFGCGJWNNNRFNU-QGZVFWFLSA-N 0 1 287.382 3.513 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccccc2F)c(C)n1 ZINC000678411879 1130412291 /nfs/dbraw/zinc/41/22/91/1130412291.db2.gz MGOTYBHUXPZEFQ-GFCCVEGCSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2cnn(C(C)C)c2)c(C)n1 ZINC000678425833 1130415265 /nfs/dbraw/zinc/41/52/65/1130415265.db2.gz BYHQAWCYEWLMKH-ZFWWWQNUSA-N 0 1 286.423 3.888 20 0 CHADMN Cc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000756332493 1130416973 /nfs/dbraw/zinc/41/69/73/1130416973.db2.gz JUUNJVXYVYZLLL-CYBMUJFWSA-N 0 1 295.791 3.625 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(CN(CC)CC)o1 ZINC000678486143 1130421329 /nfs/dbraw/zinc/42/13/29/1130421329.db2.gz JZOLIDAQOZXFGF-UONOGXRCSA-N 0 1 292.423 3.525 20 0 CHADMN C[C@@]1(NCc2nc3c(s2)CCC3)CCCc2ccccc21 ZINC000678497098 1130422847 /nfs/dbraw/zinc/42/28/47/1130422847.db2.gz MQDSQMKXEWOZFM-GOSISDBHSA-N 0 1 298.455 3.973 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1cc(C)ccc1OC)CC2 ZINC000678580715 1130431016 /nfs/dbraw/zinc/43/10/16/1130431016.db2.gz HQDXFGIYJGLHSO-SFHVURJKSA-N 0 1 297.398 3.789 20 0 CHADMN C[C@@H](Cc1cccs1)NCc1nnc(C(C)(C)C)s1 ZINC000678597139 1130435200 /nfs/dbraw/zinc/43/52/00/1130435200.db2.gz AQLRLKHFSKCLLZ-JTQLQIEISA-N 0 1 295.477 3.618 20 0 CHADMN Cc1ccnc(CN2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000792291515 1130441940 /nfs/dbraw/zinc/44/19/40/1130441940.db2.gz OORSORUTRXLPMP-ZDUSSCGKSA-N 0 1 288.341 3.658 20 0 CHADMN CCc1c(C)cc(-c2ccc(CN(C)C)cn2)cc1C ZINC001240739243 1130448732 /nfs/dbraw/zinc/44/87/32/1130448732.db2.gz FOILWXQKEDVZFG-UHFFFAOYSA-N 0 1 268.404 3.989 20 0 CHADMN c1ccc(C2=CCN(Cc3n[nH]c4ccccc34)CC2)cc1 ZINC001137351037 1130457172 /nfs/dbraw/zinc/45/71/72/1130457172.db2.gz MNTYBYJVQGFAOW-UHFFFAOYSA-N 0 1 289.382 3.852 20 0 CHADMN CCC[C@@]1(NCc2c(Cl)cccc2OCC)CCOC1 ZINC001170205742 1130458755 /nfs/dbraw/zinc/45/87/55/1130458755.db2.gz OEQHQBNOCWUMBN-MRXNPFEDSA-N 0 1 297.826 3.788 20 0 CHADMN CCc1nn(C)cc1CN1CC(C)(C)[C@@H]1c1ccccc1 ZINC000678818504 1130459494 /nfs/dbraw/zinc/45/94/94/1130459494.db2.gz IHJRDURDDKQONN-KRWDZBQOSA-N 0 1 283.419 3.566 20 0 CHADMN Cc1cccc(NCc2[nH]nc3ccccc32)c1F ZINC000678854428 1130465372 /nfs/dbraw/zinc/46/53/72/1130465372.db2.gz WIOXYQOZZJTPHT-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN CCn1cc(CN[C@H](C)c2ccc(Cl)c(F)c2)cn1 ZINC000678938087 1130475224 /nfs/dbraw/zinc/47/52/24/1130475224.db2.gz ANEXYGGKZHMYRD-SNVBAGLBSA-N 0 1 281.762 3.546 20 0 CHADMN CN(C)Cc1cc(-c2cncc(C(F)(F)F)c2)ccc1F ZINC001240794382 1130475577 /nfs/dbraw/zinc/47/55/77/1130475577.db2.gz OACIPESGARGWRB-UHFFFAOYSA-N 0 1 298.283 3.968 20 0 CHADMN c1cc2ccc(-c3cc(N4CCCC4)ccn3)cc2[nH]1 ZINC001240795488 1130475905 /nfs/dbraw/zinc/47/59/05/1130475905.db2.gz UZQNTDGWNXIVOT-UHFFFAOYSA-N 0 1 263.344 3.830 20 0 CHADMN Cc1cncc(-c2cc(F)c(CN3CCCC3)c(F)c2)c1 ZINC001240804129 1130480287 /nfs/dbraw/zinc/48/02/87/1130480287.db2.gz SWLNEUKBFVFFHN-UHFFFAOYSA-N 0 1 288.341 3.931 20 0 CHADMN CC(C)[C@@H]1COCCN1[C@H](C)Cc1ccccc1Cl ZINC001170288895 1130480423 /nfs/dbraw/zinc/48/04/23/1130480423.db2.gz YSXFRCNBWLJEBU-CJNGLKHVSA-N 0 1 281.827 3.628 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@H]1CCCOc2ccccc21 ZINC000678997164 1130481500 /nfs/dbraw/zinc/48/15/00/1130481500.db2.gz VMNWPULWDCXGNT-NHYWBVRUSA-N 0 1 286.375 3.856 20 0 CHADMN Cc1nc2cccc(-c3ccc(OC(C)C)nc3)c2[nH]1 ZINC001240809574 1130482013 /nfs/dbraw/zinc/48/20/13/1130482013.db2.gz HHIPMZQLAHUCST-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN CC(C)Oc1ccc(-c2cc(N3CCCC3)ccn2)cn1 ZINC001240809018 1130482550 /nfs/dbraw/zinc/48/25/50/1130482550.db2.gz YOEPBTNCILKRIR-UHFFFAOYSA-N 0 1 283.375 3.531 20 0 CHADMN C[C@H](N[C@@H](CC1CC1)c1ccccc1)c1nccn1C ZINC000679046596 1130487664 /nfs/dbraw/zinc/48/76/64/1130487664.db2.gz PDSKJGNOUGFTOA-BBRMVZONSA-N 0 1 269.392 3.612 20 0 CHADMN Cc1cc(F)cc(C)c1-c1ccc(N2CCN(C)CC2)cc1 ZINC001240851517 1130493251 /nfs/dbraw/zinc/49/32/51/1130493251.db2.gz JVXUABHNWQEOMH-UHFFFAOYSA-N 0 1 298.405 3.861 20 0 CHADMN C[C@H]1CSCCN(Cn2c3ccccc3oc2=S)C1 ZINC000792724432 1130494002 /nfs/dbraw/zinc/49/40/02/1130494002.db2.gz ZDYJKZLRNTXQBY-LLVKDONJSA-N 0 1 294.445 3.606 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1CCCOc1ccc(Cl)cc1 ZINC000679143541 1130497852 /nfs/dbraw/zinc/49/78/52/1130497852.db2.gz ITWNOJIUXXFJQF-DZGCQCFKSA-N 0 1 297.826 3.608 20 0 CHADMN c1ccc2c(c1)oc1c2cccc1-c1ncnc2c1CNC2 ZINC001240889077 1130503285 /nfs/dbraw/zinc/50/32/85/1130503285.db2.gz OQUOYVACEPOXSZ-UHFFFAOYSA-N 0 1 287.322 3.646 20 0 CHADMN Clc1ccc(-c2cc(CN3CC=CCC3)on2)cc1 ZINC000679322170 1130512643 /nfs/dbraw/zinc/51/26/43/1130512643.db2.gz UUDGIGYWAVCYQI-UHFFFAOYSA-N 0 1 274.751 3.757 20 0 CHADMN CCOC(=O)c1cc2ccc(-c3cc(F)ccc3C)[nH]c-2n1 ZINC001240918057 1130516514 /nfs/dbraw/zinc/51/65/14/1130516514.db2.gz KHKQBYJVRUXGAQ-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(-c3cccnc3)c2)C[C@H]1F ZINC000679358690 1130520295 /nfs/dbraw/zinc/52/02/95/1130520295.db2.gz MADRCTQIDQRCEP-RDTXWAMCSA-N 0 1 284.378 3.929 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1ccc(OC(C)(C)C)cc1 ZINC000679361232 1130521614 /nfs/dbraw/zinc/52/16/14/1130521614.db2.gz MYMDMVQXXUITRU-LBPRGKRZSA-N 0 1 287.407 3.746 20 0 CHADMN CC[C@H](Nc1cnn(-c2ccncc2)c1)c1ccccc1F ZINC000679364659 1130524080 /nfs/dbraw/zinc/52/40/80/1130524080.db2.gz JKQGUQXDJUMSBX-KRWDZBQOSA-N 0 1 296.349 3.970 20 0 CHADMN FC(F)[C@@H](CCc1ccccc1)NC1CCCC1 ZINC000679392453 1130526262 /nfs/dbraw/zinc/52/62/62/1130526262.db2.gz LAXGABFWSZUGIL-CQSZACIVSA-N 0 1 253.336 3.785 20 0 CHADMN C[C@H]1CCN(Cc2nc3c(s2)CCC3)CC12CCC2 ZINC000679426758 1130529485 /nfs/dbraw/zinc/52/94/85/1130529485.db2.gz QGWOHSKEHSITNE-LBPRGKRZSA-N 0 1 276.449 3.644 20 0 CHADMN C[C@H]1C[C@H](C)N1Cc1ccc(CSC(F)F)o1 ZINC000793229104 1130531428 /nfs/dbraw/zinc/53/14/28/1130531428.db2.gz UTISIVAPAQWMDT-IUCAKERBSA-N 0 1 261.337 3.718 20 0 CHADMN CC(C)OC1CCN(Cc2ccc(C(C)(C)C)[nH]2)CC1 ZINC001137376622 1130534172 /nfs/dbraw/zinc/53/41/72/1130534172.db2.gz KKYCAXANFKJHBL-UHFFFAOYSA-N 0 1 278.440 3.702 20 0 CHADMN COc1cc(F)c(-c2cccc3nc(C)[nH]c32)cc1F ZINC001240957994 1130535833 /nfs/dbraw/zinc/53/58/33/1130535833.db2.gz LSYPJQNFQSMKNR-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN CC(C)(N[C@@H]1CCC[C@H](C(F)(F)F)C1)C(F)F ZINC000793255950 1130536069 /nfs/dbraw/zinc/53/60/69/1130536069.db2.gz WSMHNNAKKLASRP-JGVFFNPUSA-N 0 1 259.262 3.741 20 0 CHADMN CCc1nc(CN(C)C[C@H]2CCc3ccccc32)cs1 ZINC000679535354 1130536223 /nfs/dbraw/zinc/53/62/23/1130536223.db2.gz QASIONGDSLQEPL-CQSZACIVSA-N 0 1 286.444 3.867 20 0 CHADMN C[C@H]1C[C@H](NC(C)(C)C(F)F)CN(Cc2ccccc2)C1 ZINC000793253563 1130536641 /nfs/dbraw/zinc/53/66/41/1130536641.db2.gz ATOYFRHKFCIYAF-ZFWWWQNUSA-N 0 1 296.405 3.530 20 0 CHADMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1CCC(=O)c1ccccc1 ZINC000679544141 1130537078 /nfs/dbraw/zinc/53/70/78/1130537078.db2.gz GOVDDQHLXVHJIQ-TZMCWYRMSA-N 0 1 299.336 3.922 20 0 CHADMN CC(C)(C)c1ccc(CN2CCC(C(F)F)CC2)[nH]1 ZINC001137378302 1130539319 /nfs/dbraw/zinc/53/93/19/1130539319.db2.gz TWBDBJHZPWEJMV-UHFFFAOYSA-N 0 1 270.367 3.789 20 0 CHADMN COCC[C@@H](N[C@@H](C)c1ccc(C)nc1C)c1ccco1 ZINC000679575370 1130540555 /nfs/dbraw/zinc/54/05/55/1130540555.db2.gz OQHRUMFANKTPIW-GOEBONIOSA-N 0 1 288.391 3.720 20 0 CHADMN CN(C)Cc1ccc(NCc2ccoc2)cc1Cl ZINC000793344343 1130540615 /nfs/dbraw/zinc/54/06/15/1130540615.db2.gz QUTYCSHEMMLOGX-UHFFFAOYSA-N 0 1 264.756 3.607 20 0 CHADMN Cc1ncc([C@H](C)N[C@H]2CCCc3nc(C)sc32)s1 ZINC000679574627 1130541476 /nfs/dbraw/zinc/54/14/76/1130541476.db2.gz BIEVDBBWQNUDFI-KWQFWETISA-N 0 1 293.461 3.945 20 0 CHADMN Clc1cnc(NC[C@H](c2ccco2)N2CCCC2)s1 ZINC000679632360 1130548083 /nfs/dbraw/zinc/54/80/83/1130548083.db2.gz GKFOLBMOPCVXJK-SNVBAGLBSA-N 0 1 297.811 3.639 20 0 CHADMN CCN(Cc1occc1Br)CC1CCC1 ZINC000793351108 1130548759 /nfs/dbraw/zinc/54/87/59/1130548759.db2.gz BDSHAFCKKMYTSO-UHFFFAOYSA-N 0 1 272.186 3.664 20 0 CHADMN CSc1ccccc1CN1CC2(C1)CC(F)(F)C2 ZINC000679672260 1130549916 /nfs/dbraw/zinc/54/99/16/1130549916.db2.gz WMIYZCZPGRQQPR-UHFFFAOYSA-N 0 1 269.360 3.640 20 0 CHADMN O[C@H](CN(Cc1ccccc1)[C@@H]1C=CCCC1)C(F)(F)F ZINC000679675212 1130551004 /nfs/dbraw/zinc/55/10/04/1130551004.db2.gz HLSIAAKKEMOGBS-HUUCEWRRSA-N 0 1 299.336 3.521 20 0 CHADMN Brc1ccoc1CN(CC1CC1)C1CCC1 ZINC000793395307 1130553077 /nfs/dbraw/zinc/55/30/77/1130553077.db2.gz JNTQPTKRWVTMAD-UHFFFAOYSA-N 0 1 284.197 3.807 20 0 CHADMN COc1c(C)cc(CN2CCC[C@@H](OC(F)F)C2)cc1C ZINC000679741170 1130555051 /nfs/dbraw/zinc/55/50/51/1130555051.db2.gz WEMAOCBRXBSSTL-CQSZACIVSA-N 0 1 299.361 3.516 20 0 CHADMN Cc1ccc(-c2nc3nc[nH]c3c(C)n2)c2ccccc12 ZINC001241003883 1130559981 /nfs/dbraw/zinc/55/99/81/1130559981.db2.gz FBUPPHMSMUVSFI-UHFFFAOYSA-N 0 1 274.327 3.742 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2ccc(Cl)cc2)n(C)n1 ZINC000793519390 1130562205 /nfs/dbraw/zinc/56/22/05/1130562205.db2.gz QWTIOWAHVLNHLI-VXGBXAGGSA-N 0 1 277.799 3.794 20 0 CHADMN COc1cccc(F)c1-c1ccc(F)c(CN(C)C)c1 ZINC001241013674 1130566243 /nfs/dbraw/zinc/56/62/43/1130566243.db2.gz IJOQMJOMEYFXHB-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN CC(C)[C@@H]1COCCN1Cc1cccc(-c2ccncc2)c1 ZINC001137393772 1130567024 /nfs/dbraw/zinc/56/70/24/1130567024.db2.gz IEWMEJSULMCIMH-IBGZPJMESA-N 0 1 296.414 3.605 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000758335345 1130605689 /nfs/dbraw/zinc/60/56/89/1130605689.db2.gz ONOBRPYXYNKNIM-ZOBUZTSGSA-N 0 1 294.483 3.582 20 0 CHADMN CN(C)c1ccnc(Cl)c1CN1CCCCCCC1 ZINC001234143502 1130611467 /nfs/dbraw/zinc/61/14/67/1130611467.db2.gz QWUMATDSAYIREN-UHFFFAOYSA-N 0 1 281.831 3.567 20 0 CHADMN CSc1cccc(F)c1O[C@@H]1CCCN(C(C)C)C1 ZINC001234251493 1130624080 /nfs/dbraw/zinc/62/40/80/1130624080.db2.gz ZHSQJNZLBSFWPH-GFCCVEGCSA-N 0 1 283.412 3.799 20 0 CHADMN O[C@H](CN1CC2(C1)CCCCC2)c1cccc(Cl)c1 ZINC000759062749 1130633870 /nfs/dbraw/zinc/63/38/70/1130633870.db2.gz NKYVZYMCVCGCNK-OAHLLOKOSA-N 0 1 279.811 3.640 20 0 CHADMN C[C@H](CN1CCSC[C@H]1c1ccccc1)C(F)(F)F ZINC000441170906 1130637579 /nfs/dbraw/zinc/63/75/79/1130637579.db2.gz NWFXNXNZBZMBCG-YPMHNXCESA-N 0 1 289.366 3.975 20 0 CHADMN FCCN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000759331414 1130652076 /nfs/dbraw/zinc/65/20/76/1130652076.db2.gz CWTLZENLWYIPIU-KRWDZBQOSA-N 0 1 255.336 3.604 20 0 CHADMN CC(C)C[C@H]1CCCN(Cc2cccc(Cl)n2)C1 ZINC000759390450 1130654643 /nfs/dbraw/zinc/65/46/43/1130654643.db2.gz DFJFHJBXTNABJU-CYBMUJFWSA-N 0 1 266.816 3.993 20 0 CHADMN Cc1[nH]ncc1CN(C)c1ccc(C(C)(C)C)cc1 ZINC000780771260 1130691075 /nfs/dbraw/zinc/69/10/75/1130691075.db2.gz HKALORADSYBPME-UHFFFAOYSA-N 0 1 257.381 3.652 20 0 CHADMN CC/C(C)=C(\C)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000780937221 1130695707 /nfs/dbraw/zinc/69/57/07/1130695707.db2.gz DMMAQDYRTHXFSC-MDZDMXLPSA-N 0 1 291.782 3.579 20 0 CHADMN CC/C(C)=C(/C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000781013673 1130698916 /nfs/dbraw/zinc/69/89/16/1130698916.db2.gz DXYQJAXQHREKLZ-KTKRTIGZSA-N 0 1 257.337 3.556 20 0 CHADMN Cc1cc(CN[C@H]2CCc3c2cccc3F)c(C)o1 ZINC000747815669 1130712958 /nfs/dbraw/zinc/71/29/58/1130712958.db2.gz KNEVZTWOTLJUBB-INIZCTEOSA-N 0 1 259.324 3.813 20 0 CHADMN CC(C)(C)c1nnc(CN[C@H]2CCCCC23CCCC3)o1 ZINC000812876620 1130722939 /nfs/dbraw/zinc/72/29/39/1130722939.db2.gz IKLUNWUVUDYRCB-ZDUSSCGKSA-N 0 1 291.439 3.960 20 0 CHADMN CCc1cccc(CN2CCc3ccccc3[C@@H]2C)n1 ZINC001235251456 1130727917 /nfs/dbraw/zinc/72/79/17/1130727917.db2.gz UGOUWQWIUCKLHQ-AWEZNQCLSA-N 0 1 266.388 3.763 20 0 CHADMN CCc1cccc(CN2CCC[C@@H]2c2cccc(OC)c2)n1 ZINC001235257553 1130728658 /nfs/dbraw/zinc/72/86/58/1130728658.db2.gz HVUYYVKFNZQLMD-LJQANCHMSA-N 0 1 296.414 3.990 20 0 CHADMN CCc1cccc(CN(CC)Cc2ccc(F)cc2)n1 ZINC001235262109 1130730528 /nfs/dbraw/zinc/73/05/28/1130730528.db2.gz WJOOAAXKKIAFBC-UHFFFAOYSA-N 0 1 272.367 3.805 20 0 CHADMN CN(Cc1cc(F)c(F)c(F)c1F)CC1CCCC1 ZINC001235352138 1130735400 /nfs/dbraw/zinc/73/54/00/1130735400.db2.gz TYAJWIOQEDRYPG-UHFFFAOYSA-N 0 1 275.289 3.865 20 0 CHADMN CCOc1cc(O)cc(CN2Cc3ccccc3C[C@H]2C)c1 ZINC001235400969 1130738430 /nfs/dbraw/zinc/73/84/30/1130738430.db2.gz MJAAAHYOMRRJKI-CQSZACIVSA-N 0 1 297.398 3.738 20 0 CHADMN Cc1cc(OC(C)C)ncc1CN1CC(c2ccccc2)C1 ZINC001235427988 1130741895 /nfs/dbraw/zinc/74/18/95/1130741895.db2.gz HHTUCOUGGPMFSJ-UHFFFAOYSA-N 0 1 296.414 3.777 20 0 CHADMN COc1cc(CN2CCCCC[C@@H]2C)cc(F)c1F ZINC001235443867 1130745560 /nfs/dbraw/zinc/74/55/60/1130745560.db2.gz DOJMXCSBEFRXSH-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)NCCCc1cn[nH]c1C ZINC000781922550 1130748760 /nfs/dbraw/zinc/74/87/60/1130748760.db2.gz HKXJRBDMNFLKNN-KRWDZBQOSA-N 0 1 293.455 3.764 20 0 CHADMN Cc1cc(Cl)cc(CN(C)Cc2cnc3ccccn23)c1 ZINC001235534543 1130754302 /nfs/dbraw/zinc/75/43/02/1130754302.db2.gz LGHOBNFWVZIBIZ-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN CC[C@H]1CCCN(Cc2nccc(C)c2Cl)C1 ZINC001235589705 1130757450 /nfs/dbraw/zinc/75/74/50/1130757450.db2.gz XQTFOGIDVKIIJM-LBPRGKRZSA-N 0 1 252.789 3.665 20 0 CHADMN Fc1ccc2c(c1)nccc2NCc1cccc(F)n1 ZINC000747848393 1130758086 /nfs/dbraw/zinc/75/80/86/1130758086.db2.gz SIBKDVZRXYFCKU-UHFFFAOYSA-N 0 1 271.270 3.520 20 0 CHADMN CC1CCN(Cc2cccn2C(=O)OC(C)(C)C)CC1 ZINC001235624614 1130758854 /nfs/dbraw/zinc/75/88/54/1130758854.db2.gz HSNOPJAPEPOYIR-UHFFFAOYSA-N 0 1 278.396 3.503 20 0 CHADMN Cc1cncc(Br)c1CN1CCC[C@@H](C)CC1 ZINC001235640141 1130760005 /nfs/dbraw/zinc/76/00/05/1130760005.db2.gz AFEVDXSLRXESLW-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN CC[C@@H]1CCCN1Cc1c(C)cncc1Br ZINC001235647750 1130761887 /nfs/dbraw/zinc/76/18/87/1130761887.db2.gz RVRYMQICYAKSKN-LLVKDONJSA-N 0 1 283.213 3.527 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1nc2ccc(F)cc2[nH]1 ZINC001235682975 1130767901 /nfs/dbraw/zinc/76/79/01/1130767901.db2.gz LWVRXHYBIMKNOO-GFCCVEGCSA-N 0 1 295.361 3.821 20 0 CHADMN Fc1ccc2nc(CN3CC[C@H]3c3ccccc3)[nH]c2c1 ZINC001235695963 1130769427 /nfs/dbraw/zinc/76/94/27/1130769427.db2.gz VTAYOJQXCALARW-INIZCTEOSA-N 0 1 281.334 3.649 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1nc3ccc(F)cc3[nH]1)C2 ZINC001235693639 1130769990 /nfs/dbraw/zinc/76/99/90/1130769990.db2.gz BLKAFSXKUMDHKT-UHFFFAOYSA-N 0 1 295.361 3.569 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1nc2ccc(F)cc2[nH]1 ZINC001235692536 1130770097 /nfs/dbraw/zinc/77/00/97/1130770097.db2.gz DBNATCBQKBCRAO-LBPRGKRZSA-N 0 1 295.361 3.649 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1nc2ccc(F)cc2[nH]1 ZINC001235694504 1130770297 /nfs/dbraw/zinc/77/02/97/1130770297.db2.gz FSVOJDINGVJWDS-VMPITWQZSA-N 0 1 295.361 3.847 20 0 CHADMN CC(C)c1nc(CS[C@@H](C)c2cccs2)n[nH]1 ZINC000813572096 1130775694 /nfs/dbraw/zinc/77/56/94/1130775694.db2.gz JJMOFMJCFTZKEZ-VIFPVBQESA-N 0 1 267.423 3.984 20 0 CHADMN CCOc1cc(CN(C)Cc2cccc(F)c2)ccc1F ZINC001235795404 1130780403 /nfs/dbraw/zinc/78/04/03/1130780403.db2.gz PNVCOSLTPIUNRA-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ccnc(OC)c1Cl ZINC001235837523 1130784799 /nfs/dbraw/zinc/78/47/99/1130784799.db2.gz HEJYUMCIDQBAQF-GFCCVEGCSA-N 0 1 268.788 3.508 20 0 CHADMN CN(C)c1ccc(N[C@@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000813864834 1130791197 /nfs/dbraw/zinc/79/11/97/1130791197.db2.gz FDOINNHKIFIQDE-MRXNPFEDSA-N 0 1 299.422 3.604 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1ccnc(Cl)c1 ZINC000783014066 1130794043 /nfs/dbraw/zinc/79/40/43/1130794043.db2.gz SPNGJWULGXKZBM-NSHDSACASA-N 0 1 275.783 3.543 20 0 CHADMN Clc1ccc2c(c1)CCN(Cc1cccc3c1CCN3)C2 ZINC001235945971 1130812493 /nfs/dbraw/zinc/81/24/93/1130812493.db2.gz HIJYBXXSDWNYLD-UHFFFAOYSA-N 0 1 298.817 3.866 20 0 CHADMN Clc1cccc2c1CCN(Cc1ccc3c(c1)NCC3)C2 ZINC001235949506 1130814048 /nfs/dbraw/zinc/81/40/48/1130814048.db2.gz MXEXISRRJOXCOI-UHFFFAOYSA-N 0 1 298.817 3.866 20 0 CHADMN Fc1ccc([C@H](NC[C@H]2CCC=CO2)c2ccccn2)cc1 ZINC000783308323 1130814208 /nfs/dbraw/zinc/81/42/08/1130814208.db2.gz CSSAPCAIZSWKFU-AEFFLSMTSA-N 0 1 298.361 3.592 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc(C3CCC3)nn2)c1F ZINC001235988787 1130823284 /nfs/dbraw/zinc/82/32/84/1130823284.db2.gz AUYSMKIDIZTVOO-UHFFFAOYSA-N 0 1 280.249 3.534 20 0 CHADMN Cc1nc(C2CC2)nc(-c2c(F)cc(F)c(O)c2F)c1F ZINC001235992530 1130824902 /nfs/dbraw/zinc/82/49/02/1130824902.db2.gz INNPRSHCZYMKOL-UHFFFAOYSA-N 0 1 298.239 3.591 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccncc2C(F)(F)F)c1F ZINC001235993049 1130826021 /nfs/dbraw/zinc/82/60/21/1130826021.db2.gz BMRPHPXBMBVZFY-UHFFFAOYSA-N 0 1 293.166 3.890 20 0 CHADMN CCOC(=N)c1cccc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235996994 1130826382 /nfs/dbraw/zinc/82/63/82/1130826382.db2.gz NDIYWGLAMZPRBE-UHFFFAOYSA-N 0 1 295.260 3.838 20 0 CHADMN CSc1ccc(-c2c(F)cc(F)c(O)c2F)c(C)n1 ZINC001236000440 1130827053 /nfs/dbraw/zinc/82/70/53/1130827053.db2.gz SDAIEBRAZCKQCZ-UHFFFAOYSA-N 0 1 285.290 3.902 20 0 CHADMN Cc1c[nH]c2ncc(-c3c(F)cc(F)c(O)c3F)cc12 ZINC001235997996 1130827227 /nfs/dbraw/zinc/82/72/27/1130827227.db2.gz JGYOASOKQRBJIS-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN COCCOc1ccc(-c2c(F)cc(F)c(O)c2F)cc1 ZINC001235998002 1130827296 /nfs/dbraw/zinc/82/72/96/1130827296.db2.gz JIQSBELEHJDDLL-UHFFFAOYSA-N 0 1 298.260 3.502 20 0 CHADMN Oc1c(F)cc(F)c(-c2cccc3oncc32)c1F ZINC001235998973 1130827315 /nfs/dbraw/zinc/82/73/15/1130827315.db2.gz UPRWOHWJJHYEAG-UHFFFAOYSA-N 0 1 265.190 3.618 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccnc(OC3CCC3)c2)c1F ZINC001236000838 1130830827 /nfs/dbraw/zinc/83/08/27/1130830827.db2.gz XQZBIIZUIUKMKB-UHFFFAOYSA-N 0 1 295.260 3.803 20 0 CHADMN COc1cccc2cc(CN(C)Cc3occc3C)oc21 ZINC000814174899 1130833885 /nfs/dbraw/zinc/83/38/85/1130833885.db2.gz MIAHDOWOQMAWBB-UHFFFAOYSA-N 0 1 285.343 3.975 20 0 CHADMN Cc1csc([C@@H](C)NC/C=C\c2ccc(F)cc2)n1 ZINC000747915637 1130844545 /nfs/dbraw/zinc/84/45/45/1130844545.db2.gz UXVBFBRZEZXSFC-VSQXVHSFSA-N 0 1 276.380 3.955 20 0 CHADMN Cc1csc([C@H](C)NC/C=C\c2ccc(F)cc2)n1 ZINC000747915636 1130844582 /nfs/dbraw/zinc/84/45/82/1130844582.db2.gz UXVBFBRZEZXSFC-MVZIDQBPSA-N 0 1 276.380 3.955 20 0 CHADMN O=C(O[C@H]1CCc2ccccc21)c1c(F)cc(O)cc1F ZINC000783714813 1130850669 /nfs/dbraw/zinc/85/06/69/1130850669.db2.gz CGZUTNZZYWJWCL-AWEZNQCLSA-N 0 1 290.265 3.515 20 0 CHADMN CC1(C)[C@@H]2C[C@H](n3c(-c4ccccc4)cnc3CN)C[C@@H]21 ZINC001170736946 1130854584 /nfs/dbraw/zinc/85/45/84/1130854584.db2.gz UIQWTBLKCCQIGS-QDMKHBRRSA-N 0 1 281.403 3.616 20 0 CHADMN CC(C)[C@H]1N(C[C@H](O)c2ccc(F)cc2Cl)CC1(C)C ZINC000814251839 1130856565 /nfs/dbraw/zinc/85/65/65/1130856565.db2.gz UGRBZDNELFWZHG-LSDHHAIUSA-N 0 1 299.817 3.879 20 0 CHADMN CN[C@H]1CCN1Cc1ccccc1-c1ccc(Cl)cc1 ZINC001236166249 1130879086 /nfs/dbraw/zinc/87/90/86/1130879086.db2.gz CRKFXLMJPVZCGU-QGZVFWFLSA-N 0 1 286.806 3.758 20 0 CHADMN COc1cc(C)cc(F)c1-c1cnc2nc(C)[nH]c2c1C ZINC001236230295 1130899648 /nfs/dbraw/zinc/89/96/48/1130899648.db2.gz QQEVOGXBMAOXEC-UHFFFAOYSA-N 0 1 285.322 3.698 20 0 CHADMN CCOc1cc(C)ccc1CN1CCc2ccc(N)cc2C1 ZINC001236234834 1130900446 /nfs/dbraw/zinc/90/04/46/1130900446.db2.gz SLDXIOYDIWPUSZ-UHFFFAOYSA-N 0 1 296.414 3.534 20 0 CHADMN CN(CCO)Cc1ccccc1Oc1ccc(Cl)cc1 ZINC001236254947 1130907203 /nfs/dbraw/zinc/90/72/03/1130907203.db2.gz GZZDESZOCRDECM-UHFFFAOYSA-N 0 1 291.778 3.556 20 0 CHADMN COc1cc(F)c(-c2cc3nc[nH]c3c(C)c2)cc1OC ZINC001236305855 1130911409 /nfs/dbraw/zinc/91/14/09/1130911409.db2.gz BIGBRFGIYRAFPU-UHFFFAOYSA-N 0 1 286.306 3.695 20 0 CHADMN COc1cc(F)c(-c2nc(C)cc3[nH]ccc32)cc1OC ZINC001236299246 1130911551 /nfs/dbraw/zinc/91/15/51/1130911551.db2.gz ROWQUWMHXOQMEZ-UHFFFAOYSA-N 0 1 286.306 3.695 20 0 CHADMN COc1cc(F)c(-c2cc3nc[nH]c3cc2F)cc1OC ZINC001236317408 1130913301 /nfs/dbraw/zinc/91/33/01/1130913301.db2.gz QCANLFZJROBKPO-UHFFFAOYSA-N 0 1 290.269 3.525 20 0 CHADMN CC1(C)[C@@H]2C[C@H](N3CCc4ncc(Cl)cc4C3)C[C@@H]21 ZINC001170765929 1130914941 /nfs/dbraw/zinc/91/49/41/1130914941.db2.gz YUBDTMJNORXGAH-BTTYYORXSA-N 0 1 276.811 3.528 20 0 CHADMN CCOc1ccc(C)cc1CN1CCc2c(N)cccc2C1 ZINC001236364282 1130920481 /nfs/dbraw/zinc/92/04/81/1130920481.db2.gz XGIKCMMAAKFKIH-UHFFFAOYSA-N 0 1 296.414 3.534 20 0 CHADMN CCCC=Nc1nnc(C)cc1-c1nc(C)cs1 ZINC001170768093 1130921906 /nfs/dbraw/zinc/92/19/06/1130921906.db2.gz YMQVAFAXAARKHP-AATRIKPKSA-N 0 1 260.366 3.553 20 0 CHADMN COc1cncc(-c2ccc(C3=NCCC3)cc2)c1C ZINC001236371021 1130922522 /nfs/dbraw/zinc/92/25/22/1130922522.db2.gz GNWLMWHRHYKNCQ-UHFFFAOYSA-N 0 1 266.344 3.649 20 0 CHADMN Cc1cc(C(F)(F)F)c(-c2c(F)ccc(C)c2O)nn1 ZINC001236389527 1130925757 /nfs/dbraw/zinc/92/57/57/1130925757.db2.gz FKFJUGIIHVWNAQ-UHFFFAOYSA-N 0 1 286.228 3.624 20 0 CHADMN CCCOc1ccc(Cl)cc1-c1cc(N)ccn1 ZINC001236450670 1130945023 /nfs/dbraw/zinc/94/50/23/1130945023.db2.gz RKGZBOQJBQDNKE-UHFFFAOYSA-N 0 1 262.740 3.773 20 0 CHADMN Cc1cc(-c2ccc(NC(C)C)cc2)nc2nc[nH]c21 ZINC001236481900 1130951770 /nfs/dbraw/zinc/95/17/70/1130951770.db2.gz CPGPNYXYXRVVHB-UHFFFAOYSA-N 0 1 266.348 3.754 20 0 CHADMN CC[C@H]1CCCCCN1Cc1ccnc(Br)c1 ZINC000815052039 1130952625 /nfs/dbraw/zinc/95/26/25/1130952625.db2.gz AFYKSCMFVAZVPL-ZDUSSCGKSA-N 0 1 297.240 3.999 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1ccnc(Br)c1 ZINC000815079462 1130956184 /nfs/dbraw/zinc/95/61/84/1130956184.db2.gz TTYOXPNZJUVHRZ-JQWIXIFHSA-N 0 1 283.213 3.607 20 0 CHADMN Cc1ccc([C@H](NCc2cnn(C)c2Cl)C2CC2)cc1 ZINC000815114157 1130958565 /nfs/dbraw/zinc/95/85/65/1130958565.db2.gz FGQGOWSNRDEWBP-HNNXBMFYSA-N 0 1 289.810 3.623 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1c(-c2ccccc2)nc2sccn12 ZINC000815163148 1130965016 /nfs/dbraw/zinc/96/50/16/1130965016.db2.gz LWROFDMIHVLXJO-QWHCGFSZSA-N 0 1 297.427 3.903 20 0 CHADMN Cc1ccc(F)c(Nc2cc([C@@H]3CCCCN3)no2)c1 ZINC001159307833 1130970971 /nfs/dbraw/zinc/97/09/71/1130970971.db2.gz FDQGYSUWFTYRAO-LBPRGKRZSA-N 0 1 275.327 3.680 20 0 CHADMN Fc1cc(CN2CCC[C@@H]3CCC[C@H]32)c2c(c1)CCCO2 ZINC001236631097 1130984934 /nfs/dbraw/zinc/98/49/34/1130984934.db2.gz YCQISTQJGTZCFI-SUMWQHHRSA-N 0 1 289.394 3.915 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cc(F)cc3c2OCCC3)[C@@H]1C ZINC001236624800 1130985703 /nfs/dbraw/zinc/98/57/03/1130985703.db2.gz XMHPBVNHBFWWKB-CHWSQXEVSA-N 0 1 277.383 3.771 20 0 CHADMN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)n1 ZINC001236641798 1130987134 /nfs/dbraw/zinc/98/71/34/1130987134.db2.gz YZWZMFLPIGGNQZ-PHIMTYICSA-N 0 1 286.753 3.521 20 0 CHADMN Cc1cc(Cl)cc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)n1 ZINC001236641798 1130987138 /nfs/dbraw/zinc/98/71/38/1130987138.db2.gz YZWZMFLPIGGNQZ-PHIMTYICSA-N 0 1 286.753 3.521 20 0 CHADMN Cc1cc(Cl)cc(CN(C)CCc2ccccc2F)n1 ZINC001236654518 1130989460 /nfs/dbraw/zinc/98/94/60/1130989460.db2.gz YUPKVRHMNCPGMS-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN Cc1ccc(CN2CCC(=O)[C@H](F)CC2)c2ccccc12 ZINC001138013330 1130990062 /nfs/dbraw/zinc/99/00/62/1130990062.db2.gz LHOQUAIKBSHJGX-QGZVFWFLSA-N 0 1 285.362 3.651 20 0 CHADMN CC1=C(Br)CN(CCCOC(C)(C)C)CC1 ZINC000797528427 1130990406 /nfs/dbraw/zinc/99/04/06/1130990406.db2.gz QXCOGUBJBZVXIP-UHFFFAOYSA-N 0 1 290.245 3.566 20 0 CHADMN CC[C@H]1CCCN1Cc1c(Br)cccc1OC ZINC001236674718 1130990717 /nfs/dbraw/zinc/99/07/17/1130990717.db2.gz ZQSKQWVUOUZXRI-NSHDSACASA-N 0 1 298.224 3.832 20 0 CHADMN COCC[C@H]1CCCCN1Cc1ccc(Cl)c(F)c1 ZINC001137653242 1130991420 /nfs/dbraw/zinc/99/14/20/1130991420.db2.gz FNPBCMXIPKUQJX-CYBMUJFWSA-N 0 1 285.790 3.870 20 0 CHADMN COc1cccc(Br)c1CN(C)CC(C)C ZINC001236670376 1130991537 /nfs/dbraw/zinc/99/15/37/1130991537.db2.gz RVDBWJCMYWTUOA-UHFFFAOYSA-N 0 1 286.213 3.546 20 0 CHADMN COc1cc2ccccc2cc1CN1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001236676135 1130991605 /nfs/dbraw/zinc/99/16/05/1130991605.db2.gz PJDZAMDPZHGDSV-CALCHBBNSA-N 0 1 295.382 3.544 20 0 CHADMN C[C@@H]1CN(Cc2cccc3sccc32)[C@H](C)CO1 ZINC001236681363 1130993468 /nfs/dbraw/zinc/99/34/68/1130993468.db2.gz HCHMJMNQDCCKEI-VXGBXAGGSA-N 0 1 261.390 3.511 20 0 CHADMN C[N@H+](CCc1ccc(Cl)cc1)Cc1ccc(F)c([O-])c1 ZINC001236706566 1130995427 /nfs/dbraw/zinc/99/54/27/1130995427.db2.gz ZPBKOBDZSCMLQX-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN C[N@@H+](CCc1ccc(Cl)cc1)Cc1ccc(F)c([O-])c1 ZINC001236706566 1130995430 /nfs/dbraw/zinc/99/54/30/1130995430.db2.gz ZPBKOBDZSCMLQX-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN Cc1cc(CNC2(c3ccccc3)CC2)cc(Cl)n1 ZINC000797599701 1130997274 /nfs/dbraw/zinc/99/72/74/1130997274.db2.gz PFZZCYYBMUOUJA-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN Cc1c(F)ccc(CN2CCC3(CCOC3)CC2)c1Cl ZINC001236707634 1130997549 /nfs/dbraw/zinc/99/75/49/1130997549.db2.gz GHIVWXJCAHCGLJ-UHFFFAOYSA-N 0 1 297.801 3.790 20 0 CHADMN CCCN(CCOC)Cc1ccc(F)c(C)c1Cl ZINC001236714678 1130998294 /nfs/dbraw/zinc/99/82/94/1130998294.db2.gz WDKYQSGDTJWIDI-UHFFFAOYSA-N 0 1 273.779 3.646 20 0 CHADMN Fc1cc(OC(F)F)ccc1CN1CCCC12CC2 ZINC001236717017 1130999066 /nfs/dbraw/zinc/99/90/66/1130999066.db2.gz WZGSBYYYOYVWCP-UHFFFAOYSA-N 0 1 271.282 3.556 20 0 CHADMN Fc1cc(OC(F)F)ccc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001236719738 1130999286 /nfs/dbraw/zinc/99/92/86/1130999286.db2.gz ZCULKEVYNRBCPT-LLVKDONJSA-N 0 1 291.288 3.751 20 0 CHADMN Fc1cc(OC(F)F)ccc1CN1CCC[C@@H](F)CC1 ZINC001236719738 1130999289 /nfs/dbraw/zinc/99/92/89/1130999289.db2.gz ZCULKEVYNRBCPT-LLVKDONJSA-N 0 1 291.288 3.751 20 0 CHADMN CC1(C)CCCN1Cc1ccc(O)cc1OC(F)(F)F ZINC001236721105 1130999612 /nfs/dbraw/zinc/99/96/12/1130999612.db2.gz FIXSWLBKPNEKKI-UHFFFAOYSA-N 0 1 289.297 3.665 20 0 CHADMN C[C@@]1(F)CCN(Cc2cccc3ccoc32)C[C@@H]1F ZINC001236731161 1131000433 /nfs/dbraw/zinc/00/04/33/1131000433.db2.gz XDUZRUFICLKMGV-DZGCQCFKSA-N 0 1 265.303 3.705 20 0 CHADMN Cc1nc2c(s1)CN(Cc1cccc3occc31)CC2 ZINC001236739265 1131002488 /nfs/dbraw/zinc/00/24/88/1131002488.db2.gz MUKGMOPHVSBRAC-UHFFFAOYSA-N 0 1 284.384 3.756 20 0 CHADMN O=C1C[C@H]2CCC[C@@H](C1)N2Cc1cccc2ccoc21 ZINC001236738271 1131002594 /nfs/dbraw/zinc/00/25/94/1131002594.db2.gz OLOBEFGKDGKKGA-GASCZTMLSA-N 0 1 269.344 3.519 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2C[C@@H](C)CC23CC3)c1 ZINC001236777910 1131003938 /nfs/dbraw/zinc/00/39/38/1131003938.db2.gz KKTMTPLIBSNCMZ-NSHDSACASA-N 0 1 293.794 3.501 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2CCCCC23CC3)c1 ZINC001236774120 1131005141 /nfs/dbraw/zinc/00/51/41/1131005141.db2.gz DVUWXNKUFBADCT-UHFFFAOYSA-N 0 1 293.794 3.645 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)N[C@@H](CO)c1cccc(F)c1 ZINC000815593222 1131006414 /nfs/dbraw/zinc/00/64/14/1131006414.db2.gz FUNOZMJNAUBEEC-PXAZEXFGSA-N 0 1 291.341 3.657 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)N[C@H](CO)c1ccsc1 ZINC000815617904 1131009346 /nfs/dbraw/zinc/00/93/46/1131009346.db2.gz XYACLFRYJFHNNR-IAQYHMDHSA-N 0 1 279.380 3.580 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)N[C@@H](CCO)c1ccco1 ZINC000815617396 1131009423 /nfs/dbraw/zinc/00/94/23/1131009423.db2.gz MMTUIHPFPQWAEP-DOMZBBRYSA-N 0 1 277.339 3.501 20 0 CHADMN COc1cc(CN2C3CCCC2CCC3)c(F)cc1F ZINC001236831191 1131015383 /nfs/dbraw/zinc/01/53/83/1131015383.db2.gz NZLBRUOGMNZJBR-UHFFFAOYSA-N 0 1 281.346 3.880 20 0 CHADMN Cc1cc(Br)sc1CN1CCCCC1 ZINC001236830685 1131017649 /nfs/dbraw/zinc/01/76/49/1131017649.db2.gz VFFQVIRFPCXJAC-UHFFFAOYSA-N 0 1 274.227 3.805 20 0 CHADMN CCCN(CCOC)Cc1cccc(C)c1Cl ZINC001236852358 1131022710 /nfs/dbraw/zinc/02/27/10/1131022710.db2.gz VBGDJFJQCHQCFV-UHFFFAOYSA-N 0 1 255.789 3.507 20 0 CHADMN CCCCCCOc1ccc(CNCCF)cc1 ZINC000798087244 1131024238 /nfs/dbraw/zinc/02/42/38/1131024238.db2.gz QPDNRTINYBQJJL-UHFFFAOYSA-N 0 1 253.361 3.705 20 0 CHADMN Clc1nc2ccsc2cc1CN1CCC[C@H]2C[C@H]21 ZINC001236873420 1131026914 /nfs/dbraw/zinc/02/69/14/1131026914.db2.gz JCYKOIGRMMYLLV-JOYOIKCWSA-N 0 1 278.808 3.934 20 0 CHADMN F[C@H]1C[C@@H]2C[C@H]1CN2Cc1nc2ccccc2cc1Cl ZINC001236879312 1131027480 /nfs/dbraw/zinc/02/74/80/1131027480.db2.gz BDYJSSYVFYONQE-OBJOEFQTSA-N 0 1 290.769 3.821 20 0 CHADMN CC1(C)CN(Cc2cncc(-c3ccc(F)cc3)c2)C1 ZINC001236997916 1131034343 /nfs/dbraw/zinc/03/43/43/1131034343.db2.gz UMLYZESQDDJNKO-UHFFFAOYSA-N 0 1 270.351 3.730 20 0 CHADMN CCc1cccc(NC(=O)c2[nH]cnc2C(C)(C)C)c1 ZINC001135304215 1131036685 /nfs/dbraw/zinc/03/66/85/1131036685.db2.gz APMFEDIPJXOIKQ-UHFFFAOYSA-N 0 1 271.364 3.522 20 0 CHADMN C[C@H]1CCN(Cc2ccc(C3CCC3)cc2)CCC1=O ZINC001237105836 1131051241 /nfs/dbraw/zinc/05/12/41/1131051241.db2.gz XNJZEFDYCFYNIK-AWEZNQCLSA-N 0 1 271.404 3.755 20 0 CHADMN C[C@@H]1CC[C@@H]1Nc1ccc(Cl)c(CN(C)C)c1 ZINC000798938280 1131063445 /nfs/dbraw/zinc/06/34/45/1131063445.db2.gz VXEQAQNEFBZIQE-YGRLFVJLSA-N 0 1 252.789 3.612 20 0 CHADMN [S-]c1ccoc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001237181017 1131064100 /nfs/dbraw/zinc/06/41/00/1131064100.db2.gz LHEWFIKUZMUQEL-CYBMUJFWSA-N 0 1 259.374 3.558 20 0 CHADMN [S-]c1ccoc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC001237181017 1131064105 /nfs/dbraw/zinc/06/41/05/1131064105.db2.gz LHEWFIKUZMUQEL-CYBMUJFWSA-N 0 1 259.374 3.558 20 0 CHADMN CC(C)c1cnc(CN2CC[C@@H](c3ccccn3)C2)s1 ZINC000798963410 1131064368 /nfs/dbraw/zinc/06/43/68/1131064368.db2.gz DSVKYHCSFXRWDO-CYBMUJFWSA-N 0 1 287.432 3.651 20 0 CHADMN Fc1ccc2cc(-c3cccn4cncc34)[nH]c2c1 ZINC001245590937 1131066982 /nfs/dbraw/zinc/06/69/82/1131066982.db2.gz XFPVMSBFVGINFK-UHFFFAOYSA-N 0 1 251.264 3.622 20 0 CHADMN COc1cccc(CN2CCC[C@@H](C(F)F)C2)c1Cl ZINC001237194866 1131070178 /nfs/dbraw/zinc/07/01/78/1131070178.db2.gz ZJTNFNZPWNXWNM-LLVKDONJSA-N 0 1 289.753 3.826 20 0 CHADMN Cc1ccc(F)c(CN2CCNC3=CCCC[C@H]32)c1Cl ZINC001237219244 1131072359 /nfs/dbraw/zinc/07/23/59/1131072359.db2.gz MAQLLWMUPCXLGL-OAHLLOKOSA-N 0 1 294.801 3.629 20 0 CHADMN Cc1ccccc1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001135498804 1131074754 /nfs/dbraw/zinc/07/47/54/1131074754.db2.gz XRLJSZJMWVYWCY-UHFFFAOYSA-N 0 1 293.370 3.852 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@H](c2ccccn2)C1 ZINC000799193177 1131076067 /nfs/dbraw/zinc/07/60/67/1131076067.db2.gz HHJOXOKCXVTVJG-OLZOCXBDSA-N 0 1 288.341 3.910 20 0 CHADMN c1ccc([C@@H]2CCN(Cc3nc4ccccc4s3)C2)nc1 ZINC000799194116 1131076758 /nfs/dbraw/zinc/07/67/58/1131076758.db2.gz SJIKWBLGIIVKAU-CYBMUJFWSA-N 0 1 295.411 3.681 20 0 CHADMN CN(Cc1ccccc1)Cc1ccncc1C(F)(F)F ZINC001237289519 1131079854 /nfs/dbraw/zinc/07/98/54/1131079854.db2.gz UOZYAXQEWHVPIX-UHFFFAOYSA-N 0 1 280.293 3.732 20 0 CHADMN Cc1ccc(-c2n[nH]c(SC/C=C\Cl)n2)cc1 ZINC000799335132 1131081093 /nfs/dbraw/zinc/08/10/93/1131081093.db2.gz PEKHHHFSBRTKDD-UQCOIBPSSA-N 0 1 265.769 3.625 20 0 CHADMN CCc1cccc(C)c1CN1CC[C@](C)(F)[C@H](F)C1 ZINC001237324598 1131083833 /nfs/dbraw/zinc/08/38/33/1131083833.db2.gz OZNIWVANLJKRHW-CVEARBPZSA-N 0 1 267.363 3.829 20 0 CHADMN CC[C@H](C)CCCCC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000816407835 1131086364 /nfs/dbraw/zinc/08/63/64/1131086364.db2.gz QXDYRJACWUPDIJ-LBPRGKRZSA-N 0 1 295.427 3.752 20 0 CHADMN CC[C@H](C)CCCCC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000816407835 1131086370 /nfs/dbraw/zinc/08/63/70/1131086370.db2.gz QXDYRJACWUPDIJ-LBPRGKRZSA-N 0 1 295.427 3.752 20 0 CHADMN CN(CCc1cccc(F)c1)Cc1cnc(Cl)c(F)c1 ZINC001237408674 1131096740 /nfs/dbraw/zinc/09/67/40/1131096740.db2.gz XCVDXPKGHGNGTG-UHFFFAOYSA-N 0 1 296.748 3.688 20 0 CHADMN CC(C)c1cccc(C[N@@H+]2CCC(=O)[C@@H](C)CC2)c1 ZINC001237455659 1131099459 /nfs/dbraw/zinc/09/94/59/1131099459.db2.gz BFYLYNQTXKKWIS-AWEZNQCLSA-N 0 1 259.393 3.611 20 0 CHADMN CCN(Cc1c(F)cccc1Cl)[C@@H]1CCCOCC1 ZINC001170832650 1131105126 /nfs/dbraw/zinc/10/51/26/1131105126.db2.gz BZVFJLREBKOAHH-GFCCVEGCSA-N 0 1 285.790 3.870 20 0 CHADMN COc1c(C)cccc1CN1CCC[C@@H]1c1ccccn1 ZINC001237502993 1131106181 /nfs/dbraw/zinc/10/61/81/1131106181.db2.gz CJVHCVLGHCQGED-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN Fc1cccc([C@@H]2CCCN2Cc2ccn3nccc3c2)c1 ZINC001237538686 1131112341 /nfs/dbraw/zinc/11/23/41/1131112341.db2.gz GYELWZKABKONSM-SFHVURJKSA-N 0 1 295.361 3.811 20 0 CHADMN CCN(Cc1cnn(C)c1Cl)[C@H](C)Cc1ccsc1 ZINC000816574439 1131112665 /nfs/dbraw/zinc/11/26/65/1131112665.db2.gz HNAHKEAWRORAKV-LLVKDONJSA-N 0 1 297.855 3.588 20 0 CHADMN COc1ccc(OC)c(CN2CCC23CCCCC3)c1F ZINC001237568492 1131114561 /nfs/dbraw/zinc/11/45/61/1131114561.db2.gz GBUZXJPKHVHMPN-UHFFFAOYSA-N 0 1 293.382 3.752 20 0 CHADMN Cc1ncc(CN2CCCCC[C@H]2C)cc1Br ZINC001237569976 1131115024 /nfs/dbraw/zinc/11/50/24/1131115024.db2.gz VELREUYYWXCSCB-LLVKDONJSA-N 0 1 297.240 3.917 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)N(Cc2cnn(C)c2Cl)C1 ZINC000816609663 1131115392 /nfs/dbraw/zinc/11/53/92/1131115392.db2.gz IPFPFPVSBMUBFS-IUODEOHRSA-N 0 1 289.810 3.657 20 0 CHADMN Cc1c(CN2CC[C@](F)(CO)C2)cccc1-c1ccccc1 ZINC001237581170 1131115647 /nfs/dbraw/zinc/11/56/47/1131115647.db2.gz KWHYDCVAPRHYGO-LJQANCHMSA-N 0 1 299.389 3.568 20 0 CHADMN COc1ccc(OC)c(CN2C3CCCC2CCC3)c1F ZINC001237575039 1131116255 /nfs/dbraw/zinc/11/62/55/1131116255.db2.gz JSQSYDYXLQDHIJ-UHFFFAOYSA-N 0 1 293.382 3.750 20 0 CHADMN COc1ccc(OC)c(CN2CCC[C@H]3CCC[C@@H]32)c1F ZINC001237586919 1131116958 /nfs/dbraw/zinc/11/69/58/1131116958.db2.gz ZTGFZXGCSMYQMR-OCCSQVGLSA-N 0 1 293.382 3.607 20 0 CHADMN Cc1cccc(CN(C)Cc2ccnc(OC(F)F)c2)c1 ZINC001237610366 1131118651 /nfs/dbraw/zinc/11/86/51/1131118651.db2.gz FKYHONGHWRQUMJ-UHFFFAOYSA-N 0 1 292.329 3.623 20 0 CHADMN CCOc1ccc(CN2CCC3(CC(F)C3)CC2)c(F)c1 ZINC001237636723 1131121949 /nfs/dbraw/zinc/12/19/49/1131121949.db2.gz HCRNJNXZYSDRDJ-UHFFFAOYSA-N 0 1 295.373 3.939 20 0 CHADMN Oc1cc(F)c(-c2cccc3ncncc32)cc1Cl ZINC001245670548 1131122424 /nfs/dbraw/zinc/12/24/24/1131122424.db2.gz YIVWMXYKPBVPGC-UHFFFAOYSA-N 0 1 274.682 3.795 20 0 CHADMN Cc1coc(CN2CCC[C@H](c3ccccc3)CC2)n1 ZINC001237648996 1131123995 /nfs/dbraw/zinc/12/39/95/1131123995.db2.gz LRUNDAAXACRYHE-INIZCTEOSA-N 0 1 270.376 3.753 20 0 CHADMN CC[C@@H]1COCCN1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001237667409 1131126559 /nfs/dbraw/zinc/12/65/59/1131126559.db2.gz ZEWCYBBKAVZCSO-GOSISDBHSA-N 0 1 297.398 3.670 20 0 CHADMN Cc1cccc([C@@H]2CCCCCN2CC(=O)OC(C)C)c1 ZINC001116093289 1131128510 /nfs/dbraw/zinc/12/85/10/1131128510.db2.gz QGTHVPJGZKFCCO-KRWDZBQOSA-N 0 1 289.419 3.864 20 0 CHADMN CCC(=CC(=O)Nc1nc2ccc(C)cc2[nH]1)CC ZINC000817017941 1131136476 /nfs/dbraw/zinc/13/64/76/1131136476.db2.gz HXNLXIFJUJAXSA-UHFFFAOYSA-N 0 1 257.337 3.556 20 0 CHADMN Cc1ccc2nc(NC(=O)/C=C3/CC[C@@H](C)C3)[nH]c2c1 ZINC000817016989 1131136939 /nfs/dbraw/zinc/13/69/39/1131136939.db2.gz SMOBYJLUKBJWPY-WJEYQPDNSA-N 0 1 269.348 3.556 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1cccc2c1OCC2 ZINC001237756021 1131139079 /nfs/dbraw/zinc/13/90/79/1131139079.db2.gz ZTGABUHQLQCZKC-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN Cc1nc(CN2CCC(Cc3ccccc3)CC2)ccc1F ZINC001237815792 1131143361 /nfs/dbraw/zinc/14/33/61/1131143361.db2.gz XMAXJJYBHQRSTG-UHFFFAOYSA-N 0 1 298.405 3.984 20 0 CHADMN COc1cccc(CN2CCCC23CC3)c1Br ZINC001237858966 1131145299 /nfs/dbraw/zinc/14/52/99/1131145299.db2.gz VKRMVSQOSSZPFC-UHFFFAOYSA-N 0 1 296.208 3.586 20 0 CHADMN C[C@@H](NCCc1coc(-c2ccccc2)n1)c1cscn1 ZINC001116435936 1131145453 /nfs/dbraw/zinc/14/54/53/1131145453.db2.gz RKRGKHLETYNADA-GFCCVEGCSA-N 0 1 299.399 3.691 20 0 CHADMN COc1cccc2cc(CNCc3cc(C)oc3C)oc21 ZINC001116434755 1131145497 /nfs/dbraw/zinc/14/54/97/1131145497.db2.gz AHEKLKREIRRTBW-UHFFFAOYSA-N 0 1 285.343 3.941 20 0 CHADMN COc1cccc([C@@H]2CCCN2Cc2ccoc2)c1 ZINC001116437833 1131145557 /nfs/dbraw/zinc/14/55/57/1131145557.db2.gz VBISMFOPWVHCAV-INIZCTEOSA-N 0 1 257.333 3.625 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001237876092 1131146594 /nfs/dbraw/zinc/14/65/94/1131146594.db2.gz CQRVRZBFLGURBF-ZIAGYGMSSA-N 0 1 299.418 3.640 20 0 CHADMN CCCOc1cc(F)ccc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237907589 1131149908 /nfs/dbraw/zinc/14/99/08/1131149908.db2.gz BZMLPFKDLGQVIQ-QEJZJMRPSA-N 0 1 281.346 3.547 20 0 CHADMN CCC[N@H+](Cc1nc(=O)c2sccc2[n-]1)C[C@@H](C)CC ZINC001116490697 1131150302 /nfs/dbraw/zinc/15/03/02/1131150302.db2.gz PKSPKOXPNYJVLX-NSHDSACASA-N 0 1 293.436 3.655 20 0 CHADMN CN(Cc1cc2ccccc2[nH]1)Cc1ccc2c(c1)COC2 ZINC001116490415 1131150357 /nfs/dbraw/zinc/15/03/57/1131150357.db2.gz FFFAHLUHDJYMRE-UHFFFAOYSA-N 0 1 292.382 3.830 20 0 CHADMN CC[C@H]1CN(Cc2cncc3ccccc32)C[C@H](CC)O1 ZINC000817280675 1131150428 /nfs/dbraw/zinc/15/04/28/1131150428.db2.gz JZHXNFWRLWZTCW-IRXDYDNUSA-N 0 1 284.403 3.624 20 0 CHADMN CC(C)CCCCCc1nc([C@@H]2CN3CCC2CC3)no1 ZINC001116591110 1131156097 /nfs/dbraw/zinc/15/60/97/1131156097.db2.gz PGKOOICAISZAKD-OAHLLOKOSA-N 0 1 291.439 3.638 20 0 CHADMN C[N@H+](Cc1csc(-c2cccc(F)c2)n1)CC1CC1 ZINC001237973928 1131156876 /nfs/dbraw/zinc/15/68/76/1131156876.db2.gz DBHXLTOBRPVSKF-UHFFFAOYSA-N 0 1 276.380 3.791 20 0 CHADMN CN(Cc1csc(-c2cccc(F)c2)n1)CC1CC1 ZINC001237973928 1131156878 /nfs/dbraw/zinc/15/68/78/1131156878.db2.gz DBHXLTOBRPVSKF-UHFFFAOYSA-N 0 1 276.380 3.791 20 0 CHADMN C[N@@H+](CCc1ccccc1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237990783 1131157683 /nfs/dbraw/zinc/15/76/83/1131157683.db2.gz SMOXPYCSAMAJEH-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN Clc1cccc(-c2nc(CN3C[C@@H]4C[C@@H]4C3)cs2)c1 ZINC001237982745 1131157950 /nfs/dbraw/zinc/15/79/50/1131157950.db2.gz CHMGKOJLFVHLMK-TXEJJXNPSA-N 0 1 290.819 3.915 20 0 CHADMN CC(C)(C(=O)NOCCC1CC1)c1cccc(Cl)c1F ZINC000817408559 1131159321 /nfs/dbraw/zinc/15/93/21/1131159321.db2.gz XIVHZTCWKSKRAF-UHFFFAOYSA-N 0 1 299.773 3.605 20 0 CHADMN Fc1cccc2c1OCC[C@H]2NCc1ccc2c(c1)CCC2 ZINC001116697930 1131160049 /nfs/dbraw/zinc/16/00/49/1131160049.db2.gz BEMLNXIJCALEMX-GOSISDBHSA-N 0 1 297.373 3.928 20 0 CHADMN C[N@H+](Cc1cc(F)c([O-])c(Cl)c1)CC1CC(F)(F)C1 ZINC001237997183 1131160410 /nfs/dbraw/zinc/16/04/10/1131160410.db2.gz MHMGIQKDVARLFC-UHFFFAOYSA-N 0 1 293.716 3.662 20 0 CHADMN Clc1cncc(CN2CCCCC23CC3)c1Cl ZINC001238011989 1131160861 /nfs/dbraw/zinc/16/08/61/1131160861.db2.gz OQCWKZRVAKFSOR-UHFFFAOYSA-N 0 1 271.191 3.907 20 0 CHADMN CCC1CCN(Cc2cc(C3CC3)cnc2OC)CC1 ZINC001238024869 1131163130 /nfs/dbraw/zinc/16/31/30/1131163130.db2.gz SZBXFURNNHUAGV-UHFFFAOYSA-N 0 1 274.408 3.590 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1scnc1Br ZINC001238041374 1131165442 /nfs/dbraw/zinc/16/54/42/1131165442.db2.gz SBNCCNHZXLXQNO-VIFPVBQESA-N 0 1 289.242 3.526 20 0 CHADMN Cc1nc(F)ccc1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001116841399 1131166512 /nfs/dbraw/zinc/16/65/12/1131166512.db2.gz IJPNCESURNRRKB-HIFRSBDPSA-N 0 1 262.372 3.541 20 0 CHADMN Cc1c(C(=O)N[C@H](C)CC2CCCCC2)ccc2cncn21 ZINC001116835827 1131166576 /nfs/dbraw/zinc/16/65/76/1131166576.db2.gz RHGLGVSDDHWHBU-CYBMUJFWSA-N 0 1 299.418 3.731 20 0 CHADMN Cn1ccc2ccc(Nc3ccc4c[nH]nc4c3)cc21 ZINC001159662238 1131169523 /nfs/dbraw/zinc/16/95/23/1131169523.db2.gz SVVXUUADKARELB-UHFFFAOYSA-N 0 1 262.316 3.798 20 0 CHADMN Cc1cc(CN2CCC(F)CC2)cc(C)c1Cl ZINC001238088995 1131169852 /nfs/dbraw/zinc/16/98/52/1131169852.db2.gz MJRYINRAOBVYPK-UHFFFAOYSA-N 0 1 255.764 3.891 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc(Cl)nc1C ZINC001245774071 1131171077 /nfs/dbraw/zinc/17/10/77/1131171077.db2.gz PFJXFBYXOCELPH-UHFFFAOYSA-N 0 1 273.723 3.595 20 0 CHADMN Cc1ccc(O)cc1CN1CCSC[C@@H]1c1ccccc1 ZINC001238107160 1131173383 /nfs/dbraw/zinc/17/33/83/1131173383.db2.gz QDUPPKNNHUBSDN-GOSISDBHSA-N 0 1 299.439 3.991 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@H+]1CCCC2(CCCC2)C1 ZINC001238142463 1131173893 /nfs/dbraw/zinc/17/38/93/1131173893.db2.gz RYHXIIBRHRYGQE-UHFFFAOYSA-N 0 1 287.403 3.849 20 0 CHADMN [O-]c1cc(F)c(C[N@@H+]2CCCCC23CC3)cc1Cl ZINC001238150428 1131174738 /nfs/dbraw/zinc/17/47/38/1131174738.db2.gz UDUNQBHMFCJSHC-UHFFFAOYSA-N 0 1 269.747 3.703 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCCCC23CC3)cc1Cl ZINC001238150428 1131174742 /nfs/dbraw/zinc/17/47/42/1131174742.db2.gz UDUNQBHMFCJSHC-UHFFFAOYSA-N 0 1 269.747 3.703 20 0 CHADMN Cc1ncncc1CN(Cc1ccccn1)C1CCCCC1 ZINC001238171713 1131175602 /nfs/dbraw/zinc/17/56/02/1131175602.db2.gz AYVMYKVHZZFLSE-UHFFFAOYSA-N 0 1 296.418 3.515 20 0 CHADMN CN(Cc1cccs1)Cc1cncc(C2CC2)c1 ZINC001238183401 1131177626 /nfs/dbraw/zinc/17/76/26/1131177626.db2.gz BGWXYJSPFOOYKV-UHFFFAOYSA-N 0 1 258.390 3.653 20 0 CHADMN c1coc(CN(Cc2cccc(-c3cc[nH]n3)c2)C2CC2)c1 ZINC001238205161 1131180397 /nfs/dbraw/zinc/18/03/97/1131180397.db2.gz YPTNJLDRUOERNB-UHFFFAOYSA-N 0 1 293.370 3.834 20 0 CHADMN CC(=O)C1CCN(Cc2ccc(Cl)c(C)c2C)CC1 ZINC001238219182 1131183876 /nfs/dbraw/zinc/18/38/76/1131183876.db2.gz OWHXDUPBIOIZPL-UHFFFAOYSA-N 0 1 279.811 3.758 20 0 CHADMN Cc1cc(Cl)c(Cl)cc1CN1CCC[C@@H](CO)C1 ZINC001238261322 1131187004 /nfs/dbraw/zinc/18/70/04/1131187004.db2.gz BHRAWTNQHYDZDF-LLVKDONJSA-N 0 1 288.218 3.506 20 0 CHADMN Cc1cc(Cl)c(Cl)cc1CN1CCC[C@H](O)CC1 ZINC001238262025 1131187368 /nfs/dbraw/zinc/18/73/68/1131187368.db2.gz GZSBZBNMYWWNIT-LBPRGKRZSA-N 0 1 288.218 3.649 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H]2C(C)(C)O)c(F)cc1Cl ZINC001238302698 1131189673 /nfs/dbraw/zinc/18/96/73/1131189673.db2.gz HICXAXYRAKUIPS-CQSZACIVSA-N 0 1 285.790 3.523 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2C(C)(C)O)c(F)cc1Cl ZINC001238302698 1131189674 /nfs/dbraw/zinc/18/96/74/1131189674.db2.gz HICXAXYRAKUIPS-CQSZACIVSA-N 0 1 285.790 3.523 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CCC(CF)CC1 ZINC001238330765 1131190752 /nfs/dbraw/zinc/19/07/52/1131190752.db2.gz XVKAKRNXVZCIJT-UHFFFAOYSA-N 0 1 283.362 3.794 20 0 CHADMN CCCCN(C)Cc1c(F)ccc(Cl)c1OC ZINC001238333325 1131190879 /nfs/dbraw/zinc/19/08/79/1131190879.db2.gz AMTYUMGLQGBZIW-UHFFFAOYSA-N 0 1 259.752 3.720 20 0 CHADMN COc1cc(CN2[C@H](C)CCC[C@@H]2C)c(Cl)cn1 ZINC001238360601 1131193463 /nfs/dbraw/zinc/19/34/63/1131193463.db2.gz MSVMCSHSSSQHRS-PHIMTYICSA-N 0 1 268.788 3.507 20 0 CHADMN CCOc1ccc(CN2CCCCC2)c(Cl)c1 ZINC001238398608 1131195578 /nfs/dbraw/zinc/19/55/78/1131195578.db2.gz XYXOBALALFMIEU-UHFFFAOYSA-N 0 1 253.773 3.725 20 0 CHADMN CCOc1ccc(CN2CC[C@H](OC(C)C)C2)c(Cl)c1 ZINC001238402863 1131195691 /nfs/dbraw/zinc/19/56/91/1131195691.db2.gz LNBHVTXSMRFCIE-HNNXBMFYSA-N 0 1 297.826 3.738 20 0 CHADMN CC(C)Oc1cccc(CN2C3CCC2CC3)c1F ZINC001238428378 1131198757 /nfs/dbraw/zinc/19/87/57/1131198757.db2.gz WFAHDTHXHNXDKI-UHFFFAOYSA-N 0 1 263.356 3.740 20 0 CHADMN CC(C)Oc1ccc(CN2CCC3(CC3)C2)c(F)c1 ZINC001238443340 1131200098 /nfs/dbraw/zinc/20/00/98/1131200098.db2.gz CGKNQHVRUHWYPE-UHFFFAOYSA-N 0 1 263.356 3.599 20 0 CHADMN Cc1cnc(CN2CCCC[C@H]2c2cccnc2)c(C)c1 ZINC001238430724 1131201165 /nfs/dbraw/zinc/20/11/65/1131201165.db2.gz UEYRNOSFFRHMKG-SFHVURJKSA-N 0 1 281.403 3.821 20 0 CHADMN COc1cc(CN(Cc2ccccc2)C(C)C)cnc1F ZINC001238448499 1131201903 /nfs/dbraw/zinc/20/19/03/1131201903.db2.gz UEJALVKWUYLZJK-UHFFFAOYSA-N 0 1 288.366 3.640 20 0 CHADMN CC(C)Oc1cc(CN2CC[C@H](OC(C)C)C2)ccc1F ZINC001238457706 1131204548 /nfs/dbraw/zinc/20/45/48/1131204548.db2.gz GUMWWIIBEHWMLL-HNNXBMFYSA-N 0 1 295.398 3.612 20 0 CHADMN Cc1ccc(OC(C)C)cc1CN1CCOC[C@@H]1C(C)C ZINC001238479433 1131207931 /nfs/dbraw/zinc/20/79/31/1131207931.db2.gz GADMAUQLIDSZOI-GOSISDBHSA-N 0 1 291.435 3.639 20 0 CHADMN COc1cnc(CN2CCC3(CCCC3)C2)c(Cl)c1 ZINC001238489574 1131208445 /nfs/dbraw/zinc/20/84/45/1131208445.db2.gz SDCOYLJNQPKOCK-UHFFFAOYSA-N 0 1 280.799 3.510 20 0 CHADMN CCN(C)Cc1cc(Cl)cc(C(F)(F)F)c1F ZINC001238496867 1131209769 /nfs/dbraw/zinc/20/97/69/1131209769.db2.gz GPQWHFCTXDKYKI-UHFFFAOYSA-N 0 1 269.669 3.950 20 0 CHADMN COCCN(Cc1ccc(Cl)c(C)c1F)C(C)C ZINC001238520009 1131213133 /nfs/dbraw/zinc/21/31/33/1131213133.db2.gz XBWPUOLGIHTICO-UHFFFAOYSA-N 0 1 273.779 3.644 20 0 CHADMN CC(C)Oc1c(F)ccc(CN(C)C(C)C)c1F ZINC001238526699 1131213597 /nfs/dbraw/zinc/21/35/97/1131213597.db2.gz FXLDWQJVHNKXLD-UHFFFAOYSA-N 0 1 257.324 3.592 20 0 CHADMN CO[C@@H]1CCN(Cc2ccc(Cl)c(C)c2F)[C@@H](C)C1 ZINC001238523146 1131213712 /nfs/dbraw/zinc/21/37/12/1131213712.db2.gz SFIQQYHNGUIGCY-GXFFZTMASA-N 0 1 285.790 3.787 20 0 CHADMN Cc1ccc(Cl)c(CN2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001238566016 1131218731 /nfs/dbraw/zinc/21/87/31/1131218731.db2.gz YRIZHBJJPXSCPY-XJKSGUPXSA-N 0 1 279.811 3.649 20 0 CHADMN CCCCCN(Cc1cc(F)ncc1F)C(C)C ZINC000823404729 1131426482 /nfs/dbraw/zinc/42/64/82/1131426482.db2.gz VQWVJWDHNFLXNC-UHFFFAOYSA-N 0 1 256.340 3.760 20 0 CHADMN F[C@@H]1CCN(Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001238634751 1131226289 /nfs/dbraw/zinc/22/62/89/1131226289.db2.gz LWZKCAOOMIHXBR-OAHLLOKOSA-N 0 1 290.769 3.946 20 0 CHADMN Fc1ncc(-c2ccccc2)cc1CN1CCC[C@H]2C[C@H]21 ZINC001238665365 1131227368 /nfs/dbraw/zinc/22/73/68/1131227368.db2.gz GNKNKEREZNPJLB-WMLDXEAASA-N 0 1 282.362 3.872 20 0 CHADMN CCOc1cc(F)c(F)cc1CN1C[C@@H](C)CC12CC2 ZINC001238660554 1131228201 /nfs/dbraw/zinc/22/82/01/1131228201.db2.gz LPZDJZVFBXHYKH-NSHDSACASA-N 0 1 281.346 3.738 20 0 CHADMN CCOc1cc(F)c(F)cc1CN1CCC2(CCC2)C1 ZINC001238660263 1131228391 /nfs/dbraw/zinc/22/83/91/1131228391.db2.gz HTHNUOFWZGXMBI-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN CCCCCc1cc(C(=O)N2CCC3(CCCC3)C2)n[nH]1 ZINC000829167526 1131414174 /nfs/dbraw/zinc/41/41/74/1131414174.db2.gz JDUOEHADJDQCPW-UHFFFAOYSA-N 0 1 289.423 3.549 20 0 CHADMN CC(C)(C)c1ccc(-c2noc([C@H]3CCCCN3)n2)cc1 ZINC000823152926 1131414255 /nfs/dbraw/zinc/41/42/55/1131414255.db2.gz ORTBXSLJQKTSJY-CQSZACIVSA-N 0 1 285.391 3.849 20 0 CHADMN Cc1ccc2oc(-c3noc([C@H]4C[C@@H](C)CCN4)n3)cc2c1 ZINC000823135640 1131415974 /nfs/dbraw/zinc/41/59/74/1131415974.db2.gz UEQMVIXAZMTUQX-WCQYABFASA-N 0 1 297.358 3.852 20 0 CHADMN Cc1ccc(-c2noc([C@H]3C[C@@H](C)CCN3)n2)cc1Cl ZINC000823258753 1131419510 /nfs/dbraw/zinc/41/95/10/1131419510.db2.gz HSTJXBSSXKSBGL-TVQRCGJNSA-N 0 1 291.782 3.759 20 0 CHADMN Fc1cc(CN(C2CC2)C2CCCCC2)c(F)cn1 ZINC000823403779 1131426459 /nfs/dbraw/zinc/42/64/59/1131426459.db2.gz AINRNMIDOVEHHV-UHFFFAOYSA-N 0 1 266.335 3.657 20 0 CHADMN C[C@H]1CCCCCN1Cc1cc(F)cc(F)c1F ZINC001137872528 1131427312 /nfs/dbraw/zinc/42/73/12/1131427312.db2.gz UJLXHNQRQSPZHR-JTQLQIEISA-N 0 1 257.299 3.868 20 0 CHADMN Cc1cc([C@H](C)NCc2cc(C3CC3)nn2C)c(C)s1 ZINC000823625048 1131434638 /nfs/dbraw/zinc/43/46/38/1131434638.db2.gz NMCPCHLUKIMMRG-NSHDSACASA-N 0 1 289.448 3.827 20 0 CHADMN CCCCC[C@@H](NCc1ccnc(OC)n1)c1ccccc1 ZINC000823777855 1131441552 /nfs/dbraw/zinc/44/15/52/1131441552.db2.gz INJSDBUKQUJEML-QGZVFWFLSA-N 0 1 299.418 3.896 20 0 CHADMN Fc1c(Cl)cccc1CN1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001137957896 1131441924 /nfs/dbraw/zinc/44/19/24/1131441924.db2.gz SZDSFFGKRNUAPA-KOLCDFICSA-N 0 1 289.728 3.956 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cc(F)ncc2F)c1C ZINC000823855116 1131445291 /nfs/dbraw/zinc/44/52/91/1131445291.db2.gz GYAUEXDDECQCKC-GFCCVEGCSA-N 0 1 276.330 3.827 20 0 CHADMN F[C@H]1C[C@@H]2C[C@H]1CN2Cc1cc2ccccc2nc1Cl ZINC001137979042 1131446236 /nfs/dbraw/zinc/44/62/36/1131446236.db2.gz XZVFTZOJYCEXQI-UBHSHLNASA-N 0 1 290.769 3.821 20 0 CHADMN COc1cc(C)ccc1CN[C@H](c1ccccn1)C(C)C ZINC000823882523 1131446214 /nfs/dbraw/zinc/44/62/14/1131446214.db2.gz ONXIBCLSNWLJGI-SFHVURJKSA-N 0 1 284.403 3.886 20 0 CHADMN Fc1cc(CN[C@@H](CC2CC2)c2ccccc2)c(F)cn1 ZINC000823882101 1131446343 /nfs/dbraw/zinc/44/63/43/1131446343.db2.gz JARAMKPCEAQLTI-INIZCTEOSA-N 0 1 288.341 3.991 20 0 CHADMN C[C@H](NCc1cnc(Cl)cn1)c1cccc(C2CC2)c1 ZINC000830195195 1131447411 /nfs/dbraw/zinc/44/74/11/1131447411.db2.gz QCCQURZNSZJEJP-NSHDSACASA-N 0 1 287.794 3.858 20 0 CHADMN CCc1ccccc1CNCc1ccnc(Cl)c1F ZINC000823931472 1131448666 /nfs/dbraw/zinc/44/86/66/1131448666.db2.gz KAEFOGXSICKEFP-UHFFFAOYSA-N 0 1 278.758 3.726 20 0 CHADMN Cc1cnccc1CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000824012442 1131450195 /nfs/dbraw/zinc/45/01/95/1131450195.db2.gz ZZTSHJULUGEMCJ-QGZVFWFLSA-N 0 1 294.398 3.926 20 0 CHADMN CCOC(=O)[C@@H]1CCCN1Cc1ccc(C)c2ccccc12 ZINC001138017076 1131451921 /nfs/dbraw/zinc/45/19/21/1131451921.db2.gz WMGGMBFRJZSLMK-SFHVURJKSA-N 0 1 297.398 3.676 20 0 CHADMN CO[C@@H]1CCCN(Cc2c(F)ccc(C)c2Cl)CC1 ZINC001138027982 1131454653 /nfs/dbraw/zinc/45/46/53/1131454653.db2.gz RLIZIDGQSXGEDM-GFCCVEGCSA-N 0 1 285.790 3.788 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC3(CCOC3)CC2)c1F ZINC001138030787 1131455343 /nfs/dbraw/zinc/45/53/43/1131455343.db2.gz RYCUROXBOQEMEH-UHFFFAOYSA-N 0 1 297.801 3.790 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(O)c3ccccc23)C[C@H]1F ZINC001138054194 1131459127 /nfs/dbraw/zinc/45/91/27/1131459127.db2.gz AGDIVLWGJSPINV-MLGOLLRUSA-N 0 1 273.351 3.725 20 0 CHADMN C[C@@H](CN1CCC(F)(F)CC1)c1cc(F)cc(F)c1 ZINC000824320399 1131464087 /nfs/dbraw/zinc/46/40/87/1131464087.db2.gz HALVZCJCPKVVHC-JTQLQIEISA-N 0 1 275.289 3.799 20 0 CHADMN CC(C)[C@H]1CN([C@@H]2CCc3c(Cl)cccc3C2)CCO1 ZINC001171056954 1131471184 /nfs/dbraw/zinc/47/11/84/1131471184.db2.gz QFFLDEUICHQRTO-RHSMWYFYSA-N 0 1 293.838 3.554 20 0 CHADMN Cc1ccn2c(CN3CCC[C@H]4CCCC[C@@H]43)cnc2c1 ZINC001136890360 1131472689 /nfs/dbraw/zinc/47/26/89/1131472689.db2.gz ZJARWSZAOZDAPW-WBVHZDCISA-N 0 1 283.419 3.797 20 0 CHADMN Cc1ccccc1CCN(C)Cc1cccnc1Cl ZINC000824555958 1131474811 /nfs/dbraw/zinc/47/48/11/1131474811.db2.gz YGBHBKMOLDHTTH-UHFFFAOYSA-N 0 1 274.795 3.718 20 0 CHADMN CCCCCN(C)Cc1cc2c(cc1Cl)OCO2 ZINC001138239845 1131481079 /nfs/dbraw/zinc/48/10/79/1131481079.db2.gz SBWVMOQLBHSVHH-UHFFFAOYSA-N 0 1 269.772 3.691 20 0 CHADMN C[C@]1(F)CCCN(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC001138239849 1131481236 /nfs/dbraw/zinc/48/12/36/1131481236.db2.gz SFKRGIUZTPWGFO-HNNXBMFYSA-N 0 1 299.773 3.783 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1ccc(Cl)cn1 ZINC001136931623 1131481408 /nfs/dbraw/zinc/48/14/08/1131481408.db2.gz KVVGQJZLEXSCKZ-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN F[C@@H]1CCCN(Cc2nc3ccccc3s2)CC1 ZINC001136948926 1131487654 /nfs/dbraw/zinc/48/76/54/1131487654.db2.gz TYZJTJMGQVNIPQ-LLVKDONJSA-N 0 1 264.369 3.620 20 0 CHADMN Cc1ccc2c(CN(C)Cc3ccccn3)c[nH]c2c1 ZINC001136967398 1131490555 /nfs/dbraw/zinc/49/05/55/1131490555.db2.gz ABYVZMAGJNAGOP-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cc(O)cc(O)c2)cc1 ZINC001138328511 1131491336 /nfs/dbraw/zinc/49/13/36/1131491336.db2.gz LQCYCKKQFXFHRQ-SFHVURJKSA-N 0 1 283.371 3.743 20 0 CHADMN c1oc(C2CC2)nc1CN1CCCc2ccccc2CC1 ZINC000824983442 1131493576 /nfs/dbraw/zinc/49/35/76/1131493576.db2.gz WWKSVFYEFGXKET-UHFFFAOYSA-N 0 1 282.387 3.543 20 0 CHADMN c1ccc2c(c1)cncc2CN1CCOCC12CCCCC2 ZINC000825099104 1131496022 /nfs/dbraw/zinc/49/60/22/1131496022.db2.gz USDPRBZEKNVYPJ-UHFFFAOYSA-N 0 1 296.414 3.770 20 0 CHADMN CCCC1CCN(Cc2nc3ccccc3n2C)CC1 ZINC001138379119 1131496226 /nfs/dbraw/zinc/49/62/26/1131496226.db2.gz PFLYOMQCXSKGHQ-UHFFFAOYSA-N 0 1 271.408 3.585 20 0 CHADMN CCN(Cc1[nH]c2ccccc2c1C)Cc1ccccn1 ZINC001138401517 1131499398 /nfs/dbraw/zinc/49/93/98/1131499398.db2.gz HUNUUFMZYQAFOP-UHFFFAOYSA-N 0 1 279.387 3.893 20 0 CHADMN Cc1c2ccccc2[nH]c1CN1CCC[C@@H]1c1cnccn1 ZINC001138401062 1131499660 /nfs/dbraw/zinc/49/96/60/1131499660.db2.gz ARRJCWTYOOVQGB-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN COc1c(C)cc(CN2CCC[C@@](C)(F)C2)cc1C ZINC001138425982 1131504017 /nfs/dbraw/zinc/50/40/17/1131504017.db2.gz SADIVCSCOGYRME-MRXNPFEDSA-N 0 1 265.372 3.636 20 0 CHADMN C[C@@H]1CN(Cc2ncc(C(F)(F)F)[nH]2)Cc2ccccc21 ZINC001137010323 1131504748 /nfs/dbraw/zinc/50/47/48/1131504748.db2.gz NMFMPZALROIOFN-SNVBAGLBSA-N 0 1 295.308 3.548 20 0 CHADMN Cc1cc(CN2[C@@H](C)CCC2(C)C)cnc1Br ZINC001171078631 1131504786 /nfs/dbraw/zinc/50/47/86/1131504786.db2.gz NKZAHTBUYOUDRY-NSHDSACASA-N 0 1 297.240 3.915 20 0 CHADMN CCOc1ccc(CN2CCC[C@](C)(F)C2)c(C)c1 ZINC001138430519 1131505285 /nfs/dbraw/zinc/50/52/85/1131505285.db2.gz AUFYMFYPPLAIQM-INIZCTEOSA-N 0 1 265.372 3.718 20 0 CHADMN CC(C)(C)C[C@@H]1CCN(Cc2cc(F)ncc2F)C1 ZINC000825321359 1131506902 /nfs/dbraw/zinc/50/69/02/1131506902.db2.gz CSZCDCWKDCHTGS-NSHDSACASA-N 0 1 268.351 3.618 20 0 CHADMN CC(C)[C@H]1N(Cc2cnc([C@H](C)O)s2)CC12CCCC2 ZINC000825339082 1131507658 /nfs/dbraw/zinc/50/76/58/1131507658.db2.gz ZYYXVKWJFHMFQE-GXTWGEPZSA-N 0 1 294.464 3.597 20 0 CHADMN COc1ccc2[nH]cc(CN3CCCC[C@H](F)C3)c2c1 ZINC001138503660 1131513283 /nfs/dbraw/zinc/51/32/83/1131513283.db2.gz IGJZMBLTTVCMGC-ZDUSSCGKSA-N 0 1 276.355 3.501 20 0 CHADMN O=C(/C=C\C1CCCC1)Nc1cccc(-c2cn[nH]c2)c1 ZINC000843843128 1131518972 /nfs/dbraw/zinc/51/89/72/1131518972.db2.gz UHBQEZYVNFZUGB-HJWRWDBZSA-N 0 1 281.359 3.762 20 0 CHADMN CC/C=C(/C)C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831909937 1131519955 /nfs/dbraw/zinc/51/99/55/1131519955.db2.gz BZYMQRATNIIQFA-LVOZBFFPSA-N 0 1 289.423 3.595 20 0 CHADMN CC[C@@H]1CCCN1Cc1cc(Br)c(C)cn1 ZINC001143660943 1131522299 /nfs/dbraw/zinc/52/22/99/1131522299.db2.gz KZRPERAWBGAZNJ-GFCCVEGCSA-N 0 1 283.213 3.527 20 0 CHADMN Cc1cc(CN2CCC(=O)[C@@H]3CCCC[C@H]32)c(C)s1 ZINC001138567315 1131522740 /nfs/dbraw/zinc/52/27/40/1131522740.db2.gz APARWALOFPIQJS-HUUCEWRRSA-N 0 1 277.433 3.699 20 0 CHADMN Cc1ccc(C(F)(F)F)c(CN2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001143672406 1131523120 /nfs/dbraw/zinc/52/31/20/1131523120.db2.gz FYMXFSKFPFNOMA-DOMZBBRYSA-N 0 1 299.336 3.625 20 0 CHADMN COc1ccc2c(CN(C)Cc3ccccc3F)c[nH]c2c1 ZINC001138588639 1131524932 /nfs/dbraw/zinc/52/49/32/1131524932.db2.gz UGAPLVJRRPQKFE-UHFFFAOYSA-N 0 1 298.361 3.948 20 0 CHADMN COc1ccc(-c2cccc(CN(C)CCF)c2)cc1 ZINC001138617328 1131526628 /nfs/dbraw/zinc/52/66/28/1131526628.db2.gz PUTGLPQQMBYKMA-UHFFFAOYSA-N 0 1 273.351 3.764 20 0 CHADMN Cc1c(F)cc(F)cc1CN(C)CCOc1ccccc1 ZINC001143764123 1131529529 /nfs/dbraw/zinc/52/95/29/1131529529.db2.gz JXJZISDPCWFPKQ-UHFFFAOYSA-N 0 1 291.341 3.784 20 0 CHADMN Cc1c(F)cc(F)cc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001143761649 1131530052 /nfs/dbraw/zinc/53/00/52/1131530052.db2.gz PRAOENMMAOTUNH-QWHCGFSZSA-N 0 1 265.347 3.895 20 0 CHADMN Cc1c(F)cc(F)cc1C[N@H+]1CC2CCC1CC2 ZINC001143767678 1131530845 /nfs/dbraw/zinc/53/08/45/1131530845.db2.gz HMNDXSIHIYBDEI-UHFFFAOYSA-N 0 1 251.320 3.648 20 0 CHADMN CCSc1ncc(CN2CCC3(C2)CCCCC3)cn1 ZINC001138657355 1131533258 /nfs/dbraw/zinc/53/32/58/1131533258.db2.gz DGTNDEJSSJFAFW-UHFFFAOYSA-N 0 1 291.464 3.745 20 0 CHADMN COC(=O)c1cccc([C@H](C)Nc2ccc3nc[nH]c3c2)c1 ZINC001171106843 1131533364 /nfs/dbraw/zinc/53/33/64/1131533364.db2.gz AEPPWFNWJUKLKC-NSHDSACASA-N 0 1 295.342 3.523 20 0 CHADMN Fc1ccc(Cl)c(CN2CC[C@H](COCC3CC3)C2)c1 ZINC001138675434 1131536342 /nfs/dbraw/zinc/53/63/42/1131536342.db2.gz VTIMZKQIWFSBNG-ZDUSSCGKSA-N 0 1 297.801 3.728 20 0 CHADMN CCN(Cc1cccc(Cl)c1)Cc1cccnc1NC ZINC001138694730 1131537961 /nfs/dbraw/zinc/53/79/61/1131537961.db2.gz IPJKUUZCEQHRKZ-UHFFFAOYSA-N 0 1 289.810 3.799 20 0 CHADMN CSc1ncc(CN2CCC[C@@H]2c2ccccc2C)cn1 ZINC001138704526 1131539337 /nfs/dbraw/zinc/53/93/37/1131539337.db2.gz JLBJDDPZDREZPM-MRXNPFEDSA-N 0 1 299.443 3.844 20 0 CHADMN Cc1cccc2c1CN(Cc1ccc3c(c1)CCCO3)C2 ZINC001138713195 1131539385 /nfs/dbraw/zinc/53/93/85/1131539385.db2.gz WDRRPEMXIKXBBB-UHFFFAOYSA-N 0 1 279.383 3.836 20 0 CHADMN CSc1ncc(CN2CCC[C@@H](c3ccccc3)C2)cn1 ZINC001138705524 1131539682 /nfs/dbraw/zinc/53/96/82/1131539682.db2.gz TVFKWHLNZYFBRF-MRXNPFEDSA-N 0 1 299.443 3.578 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2ccc3c(c2)CCCO3)C1 ZINC001138713972 1131539924 /nfs/dbraw/zinc/53/99/24/1131539924.db2.gz KOOHXSVWUPVZEP-QGZVFWFLSA-N 0 1 277.383 3.726 20 0 CHADMN COc1c(F)cc(CN2C[C@@H]3[C@H](C2)C3(C)C)cc1Cl ZINC001143848306 1131539946 /nfs/dbraw/zinc/53/99/46/1131539946.db2.gz UGHWIJGQIIESMX-PHIMTYICSA-N 0 1 283.774 3.576 20 0 CHADMN Cc1cccc(Cl)c1C[N@@H+](C)C[C@H]1CCCCO1 ZINC001138719986 1131541337 /nfs/dbraw/zinc/54/13/37/1131541337.db2.gz LJKJWRWZUQDZMC-CYBMUJFWSA-N 0 1 267.800 3.649 20 0 CHADMN Cc1cccc(Cl)c1CN(C)C[C@H]1CCCCO1 ZINC001138719986 1131541341 /nfs/dbraw/zinc/54/13/41/1131541341.db2.gz LJKJWRWZUQDZMC-CYBMUJFWSA-N 0 1 267.800 3.649 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1cnc2[nH]ccc2c1 ZINC001138738509 1131544889 /nfs/dbraw/zinc/54/48/89/1131544889.db2.gz VGCZNGPGEMQKEI-ZDUSSCGKSA-N 0 1 295.386 3.765 20 0 CHADMN C[C@]1(F)CCN([C@@H]2CCc3cc(Cl)ccc3C2)C[C@@H]1F ZINC001171116256 1131548796 /nfs/dbraw/zinc/54/87/96/1131548796.db2.gz MDCITPPVDJUQGM-PMPSAXMXSA-N 0 1 299.792 3.969 20 0 CHADMN Cc1ccc([C@H](O)CN2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000832231859 1131548794 /nfs/dbraw/zinc/54/87/94/1131548794.db2.gz NJXBDSXAPCAMEF-SJLPKXTDSA-N 0 1 297.398 3.849 20 0 CHADMN CCOc1ccc(F)c(CN(C(C)C)C(C)C)c1F ZINC001143929725 1131552957 /nfs/dbraw/zinc/55/29/57/1131552957.db2.gz YMXODEPJEBIVDG-UHFFFAOYSA-N 0 1 271.351 3.982 20 0 CHADMN CO[C@@H](CNCc1nc(C(C)(C)C)cs1)CC(C)C ZINC001202868331 1131553359 /nfs/dbraw/zinc/55/33/59/1131553359.db2.gz HAPAPQLYEOKMRQ-GFCCVEGCSA-N 0 1 284.469 3.591 20 0 CHADMN COc1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c(F)c1F ZINC001143914744 1131553399 /nfs/dbraw/zinc/55/33/99/1131553399.db2.gz FONYIXLTKXEYBN-OLZOCXBDSA-N 0 1 295.373 3.986 20 0 CHADMN COc1ccc(CN2CC[C@H]3CCCC[C@H]3C2)c(F)c1F ZINC001143914744 1131553402 /nfs/dbraw/zinc/55/34/02/1131553402.db2.gz FONYIXLTKXEYBN-OLZOCXBDSA-N 0 1 295.373 3.986 20 0 CHADMN CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)cc(F)c1O ZINC001143917610 1131553880 /nfs/dbraw/zinc/55/38/80/1131553880.db2.gz JGWBAYQFUSXUPI-YGRLFVJLSA-N 0 1 297.345 3.759 20 0 CHADMN C[C@]1(c2cccc(F)c2)CCN(Cc2ccc(F)cn2)C1 ZINC000844358227 1131554712 /nfs/dbraw/zinc/55/47/12/1131554712.db2.gz VSMLZXGJEHURTN-KRWDZBQOSA-N 0 1 288.341 3.523 20 0 CHADMN Cc1oncc1CN(C)[C@@H](C)CSc1ccccc1 ZINC000844361951 1131555250 /nfs/dbraw/zinc/55/52/50/1131555250.db2.gz VVJMQJKTBWCPME-LBPRGKRZSA-N 0 1 276.405 3.596 20 0 CHADMN c1ccc2c(c1)cncc2CN[C@H]1COCc2ccccc21 ZINC001202870033 1131555511 /nfs/dbraw/zinc/55/55/11/1131555511.db2.gz QSEJZCUEPFMPGL-IBGZPJMESA-N 0 1 290.366 3.596 20 0 CHADMN Cc1cccc(CN(C)Cc2cnc3ccccc3n2)c1 ZINC001138863498 1131555684 /nfs/dbraw/zinc/55/56/84/1131555684.db2.gz NKKRJAJAFDBATQ-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN CC[C@@H]1COC(C)(C)CN1Cc1cncc2ccccc21 ZINC000844387817 1131556460 /nfs/dbraw/zinc/55/64/60/1131556460.db2.gz TVUBGLDCKNLMJD-MRXNPFEDSA-N 0 1 284.403 3.624 20 0 CHADMN CC(C)c1nc(CN2CC[C@H]3CCC[C@H]3C2)cs1 ZINC001138883531 1131557324 /nfs/dbraw/zinc/55/73/24/1131557324.db2.gz PVMGVCVODWBEGM-OLZOCXBDSA-N 0 1 264.438 3.889 20 0 CHADMN COC(C)(C)[C@H]1CCCN1Cc1csc(C(C)C)n1 ZINC001138887163 1131557576 /nfs/dbraw/zinc/55/75/76/1131557576.db2.gz RJAINHGNESHXHH-CYBMUJFWSA-N 0 1 282.453 3.656 20 0 CHADMN Fc1cnc(Cl)c(CN2CC[C@H](c3ccccc3)C2)c1 ZINC001138891296 1131557604 /nfs/dbraw/zinc/55/76/04/1131557604.db2.gz SVHXCYVQEFDYSL-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN Fc1ccc(-c2n[nH]cc2CN2CCCCC23CC3)cc1 ZINC001138885252 1131557617 /nfs/dbraw/zinc/55/76/17/1131557617.db2.gz DOWDRDMAWMZVJJ-UHFFFAOYSA-N 0 1 285.366 3.734 20 0 CHADMN CCC(CC)N(CC)Cc1cc(F)cnc1Cl ZINC001138896040 1131559122 /nfs/dbraw/zinc/55/91/22/1131559122.db2.gz PKOFQJMIAKZYOI-UHFFFAOYSA-N 0 1 258.768 3.885 20 0 CHADMN Clc1ccc(Cl)c(CNC2(C3CCC3)CC2)n1 ZINC000844419182 1131560342 /nfs/dbraw/zinc/56/03/42/1131560342.db2.gz YBZLAGSJIGJAKV-UHFFFAOYSA-N 0 1 271.191 3.811 20 0 CHADMN Clc1c2cc[nH]c2ncc1CN1CCCCC12CC2 ZINC001138936345 1131561949 /nfs/dbraw/zinc/56/19/49/1131561949.db2.gz ORPNNOFNSXWOKU-UHFFFAOYSA-N 0 1 275.783 3.686 20 0 CHADMN Cc1c[nH]c(CN(Cc2ccccc2)C[Si](C)(C)C)n1 ZINC001138940293 1131562864 /nfs/dbraw/zinc/56/28/64/1131562864.db2.gz IBPMWDNHZJEUHJ-UHFFFAOYSA-N 0 1 287.483 3.598 20 0 CHADMN CC(C)C(=O)CCN1CCC[C@H]1c1ccc(F)cc1F ZINC000832517633 1131563623 /nfs/dbraw/zinc/56/36/23/1131563623.db2.gz MTMGGAMLVMPGGO-HNNXBMFYSA-N 0 1 281.346 3.717 20 0 CHADMN CC(C)Oc1ccc(Cl)cc1CN(C)[C@H]1CCCOC1 ZINC001138962196 1131565803 /nfs/dbraw/zinc/56/58/03/1131565803.db2.gz JMULXSUVGDKQOG-HNNXBMFYSA-N 0 1 297.826 3.738 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CCCC[C@@H]1COC ZINC001139006375 1131570966 /nfs/dbraw/zinc/57/09/66/1131570966.db2.gz STHHKAWBZKVGQE-OAHLLOKOSA-N 0 1 297.826 3.740 20 0 CHADMN C[N@H+]1CCN(C(=O)CC2CCCCCC2)C[C@@H]1C(C)(C)C ZINC001144025664 1131573384 /nfs/dbraw/zinc/57/33/84/1131573384.db2.gz WEGSQHWVQAGNBX-MRXNPFEDSA-N 0 1 294.483 3.536 20 0 CHADMN CN1CCN(C(=O)CC2CCCCCC2)C[C@@H]1C(C)(C)C ZINC001144025664 1131573388 /nfs/dbraw/zinc/57/33/88/1131573388.db2.gz WEGSQHWVQAGNBX-MRXNPFEDSA-N 0 1 294.483 3.536 20 0 CHADMN CN(Cc1cccc(-c2ccc(F)cc2)c1)C1(C)COC1 ZINC001139069410 1131579908 /nfs/dbraw/zinc/57/99/08/1131579908.db2.gz JZOVLNKTRWELOV-UHFFFAOYSA-N 0 1 285.362 3.713 20 0 CHADMN Fc1ccc2c(c1)CN(Cc1ccc3cccnc3c1)CC2 ZINC001139168228 1131589861 /nfs/dbraw/zinc/58/98/61/1131589861.db2.gz KPVSTBWAYHPYOB-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN Cn1ccc2cc(CN3CCc4ccc(F)cc4C3)ccc21 ZINC001139189688 1131592300 /nfs/dbraw/zinc/59/23/00/1131592300.db2.gz IEOAALOZSDPOBZ-UHFFFAOYSA-N 0 1 294.373 3.876 20 0 CHADMN O=C1CC2(CCCC2)N1CN1CCCC[C@@H]1c1ccccc1 ZINC000844701712 1131594878 /nfs/dbraw/zinc/59/48/78/1131594878.db2.gz KKBJSBGLVPNSPR-QGZVFWFLSA-N 0 1 298.430 3.716 20 0 CHADMN Cn1ccc2ccc(CN3CCc4c(F)cccc4C3)cc21 ZINC001139206516 1131595926 /nfs/dbraw/zinc/59/59/26/1131595926.db2.gz DBEQATSJZXKMFP-UHFFFAOYSA-N 0 1 294.373 3.876 20 0 CHADMN CC[C@@H]1CCCN1Cc1ccc(Br)c(OC)c1 ZINC001144232011 1131603830 /nfs/dbraw/zinc/60/38/30/1131603830.db2.gz DWJKYUGRLZCVQF-GFCCVEGCSA-N 0 1 298.224 3.832 20 0 CHADMN Cc1ncccc1CN(C)Cc1ccc(-n2cccc2)cc1 ZINC001144250876 1131607058 /nfs/dbraw/zinc/60/70/58/1131607058.db2.gz BSMHIDYRZHAUQC-UHFFFAOYSA-N 0 1 291.398 3.813 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@]3(C)C[C@@H]4C=C[C@H]3C4)cc(F)c12 ZINC001144277327 1131608912 /nfs/dbraw/zinc/60/89/12/1131608912.db2.gz KKPKBKFXKROYPC-VGTOOOLASA-N 0 1 299.349 3.551 20 0 CHADMN O=c1ccc(CN2CCCC[C@H]2c2ccccc2F)c[nH]1 ZINC001139468457 1131609518 /nfs/dbraw/zinc/60/95/18/1131609518.db2.gz BXDWKAUFXAAWCP-INIZCTEOSA-N 0 1 286.350 3.654 20 0 CHADMN Cc1cc(CN2CCCCC23CC3)cnc1Cl ZINC001139547212 1131615551 /nfs/dbraw/zinc/61/55/51/1131615551.db2.gz ZZPACLQLFCSHAS-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN F[C@H]1CCC2(C1)CCN(Cc1cc(Cl)ccn1)CC2 ZINC001139566042 1131616555 /nfs/dbraw/zinc/61/65/55/1131616555.db2.gz NQHRWPUMJMAMEQ-ZDUSSCGKSA-N 0 1 282.790 3.839 20 0 CHADMN CCc1cccc(CN2CCC(=O)[C@@H]3CCCC[C@H]32)c1 ZINC001144318856 1131617611 /nfs/dbraw/zinc/61/76/11/1131617611.db2.gz MOCITPVIPBIANY-IAGOWNOFSA-N 0 1 271.404 3.583 20 0 CHADMN COc1cc(CN2CCC(C)CC2)ccc1Cl ZINC001139611203 1131621507 /nfs/dbraw/zinc/62/15/07/1131621507.db2.gz MQDLXJWEOFAOFC-UHFFFAOYSA-N 0 1 253.773 3.581 20 0 CHADMN CCOc1ccc(C)cc1CN1CC(C)(C)OC(C)(C)C1 ZINC001139607209 1131621680 /nfs/dbraw/zinc/62/16/80/1131621680.db2.gz KMLYNOQDABDCOT-UHFFFAOYSA-N 0 1 291.435 3.783 20 0 CHADMN Cc1nc(CN(C)CCc2ccc(C)cc2)sc1C ZINC001144369699 1131622432 /nfs/dbraw/zinc/62/24/32/1131622432.db2.gz YMLACFPUYAONAV-UHFFFAOYSA-N 0 1 274.433 3.743 20 0 CHADMN COc1ccc(CN(C)Cc2ccncc2)cc1C(C)C ZINC001139616899 1131622878 /nfs/dbraw/zinc/62/28/78/1131622878.db2.gz SKQDUBSITHILER-UHFFFAOYSA-N 0 1 284.403 3.846 20 0 CHADMN Cc1nc2cc(C)ccn2c1CN(C)Cc1ccccc1C ZINC001139680688 1131628034 /nfs/dbraw/zinc/62/80/34/1131628034.db2.gz LHLAJQYAMYENCD-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN Cc1cc(O)cc(C)c1C[N@H+]1CCc2ccsc2C1 ZINC001139713328 1131631076 /nfs/dbraw/zinc/63/10/76/1131631076.db2.gz DIVOOGUOKLUOGS-UHFFFAOYSA-N 0 1 273.401 3.629 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1cnc2cccnc2c1 ZINC001139742921 1131634856 /nfs/dbraw/zinc/63/48/56/1131634856.db2.gz OLXIQDBSXSOPJF-RMKNXTFCSA-N 0 1 289.382 3.775 20 0 CHADMN FC(F)c1ccccc1CN1CCCC[C@@H](F)C1 ZINC001139795179 1131636409 /nfs/dbraw/zinc/63/64/09/1131636409.db2.gz BVAPIQFTTLCMFQ-GFCCVEGCSA-N 0 1 257.299 3.948 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2c2ccccc2F)nc1 ZINC001139838758 1131639718 /nfs/dbraw/zinc/63/97/18/1131639718.db2.gz QFJSBFZEORXEDY-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](Oc3ccccc3C)C2)nc1 ZINC001139838769 1131640263 /nfs/dbraw/zinc/64/02/63/1131640263.db2.gz RFDUYPDWOIHSMO-GOSISDBHSA-N 0 1 296.414 3.742 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](OCc3ccccc3)C2)nc1 ZINC001139840359 1131640933 /nfs/dbraw/zinc/64/09/33/1131640933.db2.gz NUAJWQXLVIVXJY-LJQANCHMSA-N 0 1 296.414 3.571 20 0 CHADMN COc1ccc(C2=CCN(Cc3ccc(C)cn3)CC2)cc1 ZINC001139841537 1131641012 /nfs/dbraw/zinc/64/10/12/1131641012.db2.gz XPODBBSIVZOAMF-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN COc1cc(Cl)cc(C[N@H+]2CCCC2(C)C)c1 ZINC001144479429 1131641182 /nfs/dbraw/zinc/64/11/82/1131641182.db2.gz WOVPVODDUNXIMS-UHFFFAOYSA-N 0 1 253.773 3.723 20 0 CHADMN CN(CC/C=C/c1cccnc1)Cc1ccncc1Cl ZINC001139849958 1131641651 /nfs/dbraw/zinc/64/16/51/1131641651.db2.gz XHVDTRNRLJYBNJ-GORDUTHDSA-N 0 1 287.794 3.665 20 0 CHADMN Cn1c(CN2CCC[C@@](C)(F)C2)cc2ccccc21 ZINC001139867496 1131642319 /nfs/dbraw/zinc/64/23/19/1131642319.db2.gz CPXXMZXGOCXBMD-MRXNPFEDSA-N 0 1 260.356 3.502 20 0 CHADMN CN(Cc1cccc2c3ccccc3oc21)C1(C)COC1 ZINC001139858714 1131642873 /nfs/dbraw/zinc/64/28/73/1131642873.db2.gz RYGJDLXEALWXCH-UHFFFAOYSA-N 0 1 281.355 3.807 20 0 CHADMN Cn1c(CN2CC[C@@H](C(F)(F)F)C2)cc2ccccc21 ZINC001139871806 1131643846 /nfs/dbraw/zinc/64/38/46/1131643846.db2.gz QYMJYNGUBKWKHC-GFCCVEGCSA-N 0 1 282.309 3.563 20 0 CHADMN C[N@@H+](Cc1ccccc1C1CC1)C1CC(F)(F)C1 ZINC001139879570 1131645105 /nfs/dbraw/zinc/64/51/05/1131645105.db2.gz OBRFYGCKXJJURU-UHFFFAOYSA-N 0 1 251.320 3.794 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1ccc(F)c2ccccc12 ZINC001139889498 1131647719 /nfs/dbraw/zinc/64/77/19/1131647719.db2.gz GGMCIAJTHQAHDN-DGCLKSJQSA-N 0 1 261.315 3.911 20 0 CHADMN Cc1cccc(OC2CCN(Cc3ccc(C)nc3)CC2)c1 ZINC001139933119 1131650950 /nfs/dbraw/zinc/65/09/50/1131650950.db2.gz JNYZQUUZDPHSNS-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN c1ccc2cc(C[N@H+]3CCC[C@@H]3c3cccnc3)ncc2c1 ZINC001139994995 1131655158 /nfs/dbraw/zinc/65/51/58/1131655158.db2.gz GIONGFDQEOEHIC-LJQANCHMSA-N 0 1 289.382 3.967 20 0 CHADMN c1ccc2cc(CN3CCC[C@@H]3c3cccnc3)ncc2c1 ZINC001139994995 1131655159 /nfs/dbraw/zinc/65/51/59/1131655159.db2.gz GIONGFDQEOEHIC-LJQANCHMSA-N 0 1 289.382 3.967 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1 ZINC001140051784 1131658457 /nfs/dbraw/zinc/65/84/57/1131658457.db2.gz SPRNGIHDMGBFNX-CQSZACIVSA-N 0 1 277.383 3.934 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CCC[C@H]2c2cccs2)c1 ZINC001140048571 1131658760 /nfs/dbraw/zinc/65/87/60/1131658760.db2.gz KUUFHGOIJRHYFW-AWEZNQCLSA-N 0 1 277.364 3.930 20 0 CHADMN Oc1ccc(F)c(CN2CCC[C@H]2c2cccs2)c1 ZINC001140048571 1131658763 /nfs/dbraw/zinc/65/87/63/1131658763.db2.gz KUUFHGOIJRHYFW-AWEZNQCLSA-N 0 1 277.364 3.930 20 0 CHADMN CSc1nccc(C[N@H+]2CCC[C@H]2c2ccc(C)cc2)n1 ZINC001140037698 1131658823 /nfs/dbraw/zinc/65/88/23/1131658823.db2.gz BNBSQHCQJWPVFW-INIZCTEOSA-N 0 1 299.443 3.844 20 0 CHADMN CSc1nccc(CN2CCC[C@H]2c2ccc(C)cc2)n1 ZINC001140037698 1131658824 /nfs/dbraw/zinc/65/88/24/1131658824.db2.gz BNBSQHCQJWPVFW-INIZCTEOSA-N 0 1 299.443 3.844 20 0 CHADMN FC(F)(F)c1ncccc1CN1CCCC2(CCC2)C1 ZINC001144560577 1131659115 /nfs/dbraw/zinc/65/91/15/1131659115.db2.gz BVHRDMCWLBVRDC-UHFFFAOYSA-N 0 1 284.325 3.867 20 0 CHADMN COc1c(Cl)cccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001140056380 1131659556 /nfs/dbraw/zinc/65/95/56/1131659556.db2.gz ULPRLVHYHWXMQD-TXEJJXNPSA-N 0 1 265.784 3.581 20 0 CHADMN CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(Nc2ccncc2)cc1 ZINC001144596254 1131662091 /nfs/dbraw/zinc/66/20/91/1131662091.db2.gz LVWJTEGCVDMYPA-CXAGYDPISA-N 0 1 295.386 3.622 20 0 CHADMN Cc1nc2c(s1)[C@H](NCc1cc3cnccc3o1)CCC2 ZINC000845951500 1131670106 /nfs/dbraw/zinc/67/01/06/1131670106.db2.gz PEZSODHCILQUTJ-CYBMUJFWSA-N 0 1 299.399 3.760 20 0 CHADMN CC(C)[C@@H]1CN(Cc2ccc(-c3ccncc3)cc2)CCO1 ZINC001140174232 1131671908 /nfs/dbraw/zinc/67/19/08/1131671908.db2.gz KHJINYGORGFEJH-IBGZPJMESA-N 0 1 296.414 3.605 20 0 CHADMN Fc1ccc2c(c1Cl)[C@H](NCCOC1CCC1)CC2 ZINC000845944379 1131672568 /nfs/dbraw/zinc/67/25/68/1131672568.db2.gz PUDWSBDPZIKLJM-CYBMUJFWSA-N 0 1 283.774 3.625 20 0 CHADMN Fc1ccc2c(c1Cl)[C@@H](NCCOC1CCC1)CC2 ZINC000845944381 1131672839 /nfs/dbraw/zinc/67/28/39/1131672839.db2.gz PUDWSBDPZIKLJM-ZDUSSCGKSA-N 0 1 283.774 3.625 20 0 CHADMN Cc1cc(C[N@H+]2CCc3sccc3C2)c(C)cc1O ZINC001140199550 1131676363 /nfs/dbraw/zinc/67/63/63/1131676363.db2.gz TZYJUIPTSAUJED-UHFFFAOYSA-N 0 1 273.401 3.629 20 0 CHADMN Cc1cc(CN2CCc3sccc3C2)c(C)cc1O ZINC001140199550 1131676365 /nfs/dbraw/zinc/67/63/65/1131676365.db2.gz TZYJUIPTSAUJED-UHFFFAOYSA-N 0 1 273.401 3.629 20 0 CHADMN CN(Cc1cccs1)Cc1c[nH]c2cccc(O)c12 ZINC001140233788 1131679766 /nfs/dbraw/zinc/67/97/66/1131679766.db2.gz USYAHSZEQYJWFW-UHFFFAOYSA-N 0 1 272.373 3.567 20 0 CHADMN Cc1cc(C)cc([C@@H]2CCC[N@@H+]2Cc2ccncc2[O-])c1 ZINC001140282305 1131687747 /nfs/dbraw/zinc/68/77/47/1131687747.db2.gz SGLSSPCKVFQCCT-KRWDZBQOSA-N 0 1 282.387 3.741 20 0 CHADMN Cc1cc(C)cc([C@@H]2CCC[N@H+]2Cc2ccncc2[O-])c1 ZINC001140282305 1131687751 /nfs/dbraw/zinc/68/77/51/1131687751.db2.gz SGLSSPCKVFQCCT-KRWDZBQOSA-N 0 1 282.387 3.741 20 0 CHADMN CC[C@H](N[C@H]1CCCc2n[nH]cc21)c1ccccc1F ZINC000846190026 1131698711 /nfs/dbraw/zinc/69/87/11/1131698711.db2.gz NUUPDRJHFJGHQB-GJZGRUSLSA-N 0 1 273.355 3.667 20 0 CHADMN COc1c(F)ccc(F)c1CN(C)CCc1cccs1 ZINC001144755385 1131703095 /nfs/dbraw/zinc/70/30/95/1131703095.db2.gz ZISJNERQQZJYRY-UHFFFAOYSA-N 0 1 297.370 3.709 20 0 CHADMN CC[C@@H](NCc1cccnc1F)c1ccsc1 ZINC000834790587 1131705139 /nfs/dbraw/zinc/70/51/39/1131705139.db2.gz SNLNCHKBERMWDX-GFCCVEGCSA-N 0 1 250.342 3.523 20 0 CHADMN CC(C)Cc1ccc(C[N@@H+](CCC(=O)[O-])CC2CC2)cc1 ZINC000846270187 1131705624 /nfs/dbraw/zinc/70/56/24/1131705624.db2.gz YUZGMUSFVAJVEL-UHFFFAOYSA-N 0 1 289.419 3.572 20 0 CHADMN C[N@@H+](Cc1sc(N2CCCC2)nc1Cl)C1CCCC1 ZINC001140363851 1131706353 /nfs/dbraw/zinc/70/63/53/1131706353.db2.gz CLIMMUWTPXSLFE-UHFFFAOYSA-N 0 1 299.871 3.771 20 0 CHADMN CN(Cc1sc(N2CCCC2)nc1Cl)C1CCCC1 ZINC001140363851 1131706357 /nfs/dbraw/zinc/70/63/57/1131706357.db2.gz CLIMMUWTPXSLFE-UHFFFAOYSA-N 0 1 299.871 3.771 20 0 CHADMN F[C@H]1CCCN(Cc2ccc(-c3ccccn3)cc2)C1 ZINC001140378917 1131708776 /nfs/dbraw/zinc/70/87/76/1131708776.db2.gz GAUOZEHLZOWYCQ-INIZCTEOSA-N 0 1 270.351 3.683 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@@H]1NCc1cc(F)cnc1Cl ZINC000834839942 1131711354 /nfs/dbraw/zinc/71/13/54/1131711354.db2.gz FZAKJOCPJVMWCY-MEBBXXQBSA-N 0 1 290.769 3.897 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2ccc(Cl)nc2)cn1 ZINC000834902978 1131727213 /nfs/dbraw/zinc/72/72/13/1131727213.db2.gz MXUSVXKAXYBPQY-LBPRGKRZSA-N 0 1 275.783 3.598 20 0 CHADMN CC[C@@H](Oc1nc(=O)[nH]c2c1CO[C@@H]2C)C1CCCCC1 ZINC001227716045 1131729028 /nfs/dbraw/zinc/72/90/28/1131729028.db2.gz JEZVMYHZRSYUOO-ZWNOBZJWSA-N 0 1 292.379 3.511 20 0 CHADMN C[C@H]1CCN(Cc2cnc3ccc(Cl)cn23)[C@@H](C)C1 ZINC001140431356 1131733107 /nfs/dbraw/zinc/73/31/07/1131733107.db2.gz QIGLHXQTXFAVIH-RYUDHWBXSA-N 0 1 277.799 3.608 20 0 CHADMN CC(C)N(Cc1cccs1)CC1(Br)CC1 ZINC000846782323 1131734690 /nfs/dbraw/zinc/73/46/90/1131734690.db2.gz FUHJBWMUGCPLHG-UHFFFAOYSA-N 0 1 288.254 3.886 20 0 CHADMN Cc1ccc(CN2CC=C(c3ccc(Cl)nc3)CC2)cn1 ZINC000846839632 1131748715 /nfs/dbraw/zinc/74/87/15/1131748715.db2.gz GWXOPVNZOPJVPJ-UHFFFAOYSA-N 0 1 299.805 3.728 20 0 CHADMN Cc1ccccc1OCCN1CCC=C(c2ccccn2)C1 ZINC000846919669 1131759631 /nfs/dbraw/zinc/75/96/31/1131759631.db2.gz AKOZFVKOBVGWCH-UHFFFAOYSA-N 0 1 294.398 3.558 20 0 CHADMN CCc1nc(C(C)C)ccc1CN1CCC(C(C)=O)CC1 ZINC000846943823 1131762777 /nfs/dbraw/zinc/76/27/77/1131762777.db2.gz OLLHOLABJOOATD-UHFFFAOYSA-N 0 1 288.435 3.568 20 0 CHADMN Cc1cccc(-c2nnc([C@@H](C)N[C@H]3CCC3(C)C)o2)c1 ZINC000846958120 1131763955 /nfs/dbraw/zinc/76/39/55/1131763955.db2.gz CAGQCOLFBINJMZ-OCCSQVGLSA-N 0 1 285.391 3.884 20 0 CHADMN CC1(C)CC[C@@H]1NCc1nc(Cl)ccc1Cl ZINC000846963517 1131765680 /nfs/dbraw/zinc/76/56/80/1131765680.db2.gz YVUOEYNSATUNMD-JTQLQIEISA-N 0 1 259.180 3.667 20 0 CHADMN C[C@H]1CCC(C)(C)N1Cc1cnc(Cl)c(F)c1 ZINC000846984483 1131766797 /nfs/dbraw/zinc/76/67/97/1131766797.db2.gz PENUXQXEQKKIMJ-VIFPVBQESA-N 0 1 256.752 3.637 20 0 CHADMN Fc1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cnc1Cl ZINC000847003163 1131768838 /nfs/dbraw/zinc/76/88/38/1131768838.db2.gz JTACOQRQLCQPDW-AAEUAGOBSA-N 0 1 268.763 3.639 20 0 CHADMN Fc1cc(CN2CC[C@@H]3CCCC[C@@H]32)cnc1Cl ZINC000847003163 1131768842 /nfs/dbraw/zinc/76/88/42/1131768842.db2.gz JTACOQRQLCQPDW-AAEUAGOBSA-N 0 1 268.763 3.639 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2ccccc2C(=O)[O-])cc1C ZINC001140503929 1131770847 /nfs/dbraw/zinc/77/08/47/1131770847.db2.gz DIHXGFZGKKFXEW-UHFFFAOYSA-N 0 1 283.371 3.634 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001140502911 1131771033 /nfs/dbraw/zinc/77/10/33/1131771033.db2.gz HCQBGNZSNVNQAB-INIZCTEOSA-N 0 1 295.382 3.764 20 0 CHADMN CC[C@@H](NCc1ccnc(N(C)C)c1)c1ccccc1F ZINC000847021550 1131772655 /nfs/dbraw/zinc/77/26/55/1131772655.db2.gz TYHWWWOHMCRTLR-MRXNPFEDSA-N 0 1 287.382 3.528 20 0 CHADMN CN(Cc1cccc(O)c1Br)C[C@@H]1CC1(C)C ZINC001140550095 1131789345 /nfs/dbraw/zinc/78/93/45/1131789345.db2.gz DJMVQNBTKWABCX-NSHDSACASA-N 0 1 298.224 3.633 20 0 CHADMN CCCC(=O)c1ccccc1O[C@H]1CCCN(CC)C1 ZINC001228025337 1131791349 /nfs/dbraw/zinc/79/13/49/1131791349.db2.gz UCJBGDWEJNLNFX-AWEZNQCLSA-N 0 1 275.392 3.533 20 0 CHADMN C[C@H]1C[C@H](CNC(=O)c2ccc(Cl)c(O)c2)C[C@@H](C)C1 ZINC001146634457 1131793341 /nfs/dbraw/zinc/79/33/41/1131793341.db2.gz JDGLSQAKOXHKON-GDNZZTSVSA-N 0 1 295.810 3.848 20 0 CHADMN C[C@H]1CC(CNC(=O)c2ccc(Cl)c(O)c2)C[C@H](C)C1 ZINC001146634458 1131793809 /nfs/dbraw/zinc/79/38/09/1131793809.db2.gz JDGLSQAKOXHKON-GHMZBOCLSA-N 0 1 295.810 3.848 20 0 CHADMN Cc1c(Cl)cc(NC(=O)C2CC=CC2)c(O)c1Cl ZINC001146698574 1131794222 /nfs/dbraw/zinc/79/42/22/1131794222.db2.gz RNWSBJMKLFMOQC-UHFFFAOYSA-N 0 1 286.158 3.912 20 0 CHADMN Cc1ccc(F)cc1CN1CC[C@](CF)(C(F)(F)F)C1 ZINC001140589419 1131814618 /nfs/dbraw/zinc/81/46/18/1131814618.db2.gz DVUZWDIAJDZLFA-CYBMUJFWSA-N 0 1 293.279 3.858 20 0 CHADMN CN1CCC[C@H](Oc2ccc3ccccc3c2Cl)C1 ZINC001228251624 1131839237 /nfs/dbraw/zinc/83/92/37/1131839237.db2.gz PBAHWRYCOYOZLG-ZDUSSCGKSA-N 0 1 275.779 3.966 20 0 CHADMN C[C@H]1c2cccn2CCN1Cc1cccc2ccncc21 ZINC001140644257 1131843674 /nfs/dbraw/zinc/84/36/74/1131843674.db2.gz GFLMSLMDZYGASK-AWEZNQCLSA-N 0 1 277.371 3.613 20 0 CHADMN Cc1nc2ccc(OC3CC(C)(C)OC(C)(C)C3)cc2[nH]1 ZINC001228328116 1131858075 /nfs/dbraw/zinc/85/80/75/1131858075.db2.gz AJGBKUHYCBPEHH-UHFFFAOYSA-N 0 1 288.391 3.986 20 0 CHADMN Cc1nc2ccc(O[C@H]3CCOc4ccccc43)cc2[nH]1 ZINC001228326432 1131859311 /nfs/dbraw/zinc/85/93/11/1131859311.db2.gz IAIFROOONOQQED-KRWDZBQOSA-N 0 1 280.327 3.774 20 0 CHADMN CCCCOc1ccc(O[C@@H]2CCCN(C)C2)c(F)c1F ZINC001228385806 1131873035 /nfs/dbraw/zinc/87/30/35/1131873035.db2.gz MZVDJQZIKOAGKJ-GFCCVEGCSA-N 0 1 299.361 3.617 20 0 CHADMN COc1cccc(Cl)c1CN1CC[C@@](C)(CF)C1 ZINC001140725692 1131898097 /nfs/dbraw/zinc/89/80/97/1131898097.db2.gz IRGOFWHLLRCQGY-AWEZNQCLSA-N 0 1 271.763 3.530 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccsc1)c1ccc(Cl)cc1 ZINC000348175331 1131899016 /nfs/dbraw/zinc/89/90/16/1131899016.db2.gz QNPVJIBDAWZJLR-QMTHXVAHSA-N 0 1 281.808 3.786 20 0 CHADMN O=C(CN1CCCC2(CCC2)C1)Nc1ccc(Cl)cc1 ZINC000348181391 1131899801 /nfs/dbraw/zinc/89/98/01/1131899801.db2.gz OASTXVFEJXCYEE-UHFFFAOYSA-N 0 1 292.810 3.545 20 0 CHADMN Cc1ccccc1NC(=O)[C@@H](C)N1CCCC2(CCC2)C1 ZINC000348180078 1131900444 /nfs/dbraw/zinc/90/04/44/1131900444.db2.gz KDKWTEAATJRPQN-OAHLLOKOSA-N 0 1 286.419 3.588 20 0 CHADMN Fc1cc(F)c2c(c1)C[C@H](N1CCC(F)(F)CC1)CC2 ZINC001171360500 1131912386 /nfs/dbraw/zinc/91/23/86/1131912386.db2.gz KCWPDHXMQSWRFT-GFCCVEGCSA-N 0 1 287.300 3.553 20 0 CHADMN C[C@]1(F)CCCN(Cc2cc(O)cc(Cl)c2)CC1 ZINC001140787623 1131920165 /nfs/dbraw/zinc/92/01/65/1131920165.db2.gz POXXFJVOWRBGKL-AWEZNQCLSA-N 0 1 271.763 3.760 20 0 CHADMN CCCCC(=O)[C@H](CCCC)Oc1ccc2[nH]nnc2c1 ZINC001228663054 1131930124 /nfs/dbraw/zinc/93/01/24/1131930124.db2.gz RWQYSLCPTYTEKM-INIZCTEOSA-N 0 1 289.379 3.655 20 0 CHADMN Fc1cccc(CN[C@@H]2CCSc3ccccc32)n1 ZINC000773084482 1131938149 /nfs/dbraw/zinc/93/81/49/1131938149.db2.gz CCCHRLSUQYBNEC-CYBMUJFWSA-N 0 1 274.364 3.547 20 0 CHADMN C[N@@H+](Cc1cc(Cl)c([O-])c(Cl)c1)C1CC(F)(F)C1 ZINC001140829755 1131938721 /nfs/dbraw/zinc/93/87/21/1131938721.db2.gz LZYCKSCIMJZNAL-UHFFFAOYSA-N 0 1 296.144 3.929 20 0 CHADMN C[C@@H](NCc1cccc(F)n1)c1ccc2c(c1)CCCC2 ZINC000773084744 1131938853 /nfs/dbraw/zinc/93/88/53/1131938853.db2.gz FLXXUSKPKIRWJP-CYBMUJFWSA-N 0 1 284.378 3.950 20 0 CHADMN [O-]c1c(Cl)cc(C[N@@H+]2CCC[C@H](CF)C2)cc1Cl ZINC001140834211 1131941509 /nfs/dbraw/zinc/94/15/09/1131941509.db2.gz KOOXGOWDUQOJIA-SECBINFHSA-N 0 1 292.181 3.881 20 0 CHADMN [O-]c1c(Cl)cc(C[N@H+]2CCC[C@H](CF)C2)cc1Cl ZINC001140834211 1131941516 /nfs/dbraw/zinc/94/15/16/1131941516.db2.gz KOOXGOWDUQOJIA-SECBINFHSA-N 0 1 292.181 3.881 20 0 CHADMN CC1CC([N@@H+](C)Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140835043 1131941599 /nfs/dbraw/zinc/94/15/99/1131941599.db2.gz JWEPETBHYFHCKJ-UHFFFAOYSA-N 0 1 274.191 3.929 20 0 CHADMN CC[C@@H](C)N1CCN(C(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC001140843939 1131944029 /nfs/dbraw/zinc/94/40/29/1131944029.db2.gz BRGLGGBCAQJPBF-HZPDHXFCSA-N 0 1 294.483 3.536 20 0 CHADMN C[N@@H+](CCSC(C)(C)C)Cc1ccccc1F ZINC000801910367 1131948708 /nfs/dbraw/zinc/94/87/08/1131948708.db2.gz PWMZEJGCJTXDEU-UHFFFAOYSA-N 0 1 255.402 3.789 20 0 CHADMN CN(CCSC(C)(C)C)Cc1ccccc1F ZINC000801910367 1131948714 /nfs/dbraw/zinc/94/87/14/1131948714.db2.gz PWMZEJGCJTXDEU-UHFFFAOYSA-N 0 1 255.402 3.789 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@@H](C)c1ccc[nH]1 ZINC000773117214 1131949617 /nfs/dbraw/zinc/94/96/17/1131949617.db2.gz LAGFVHKYPMEKEV-OLZOCXBDSA-N 0 1 258.365 3.825 20 0 CHADMN CC[C@@H](NCc1cnn(C)c1Cl)c1ccc(Cl)cc1 ZINC000712439619 1131954696 /nfs/dbraw/zinc/95/46/96/1131954696.db2.gz HIZCANUSFOFNTC-CYBMUJFWSA-N 0 1 298.217 3.968 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2c(N)cccc2F)cc1 ZINC001140875746 1131954806 /nfs/dbraw/zinc/95/48/06/1131954806.db2.gz XJERFWISENNYME-LBPRGKRZSA-N 0 1 288.366 3.610 20 0 CHADMN Cc1cc(CN(C)Cc2c(Cl)cccc2Cl)n[nH]1 ZINC001203077290 1131960753 /nfs/dbraw/zinc/96/07/53/1131960753.db2.gz WLBQPFMUERZXNX-UHFFFAOYSA-N 0 1 284.190 3.657 20 0 CHADMN C[C@H]1CCN1Cc1ccc(OC(F)F)c(OCC2CC2)c1 ZINC001140902995 1131962240 /nfs/dbraw/zinc/96/22/40/1131962240.db2.gz HBHPQZAFOAMOPP-NSHDSACASA-N 0 1 297.345 3.671 20 0 CHADMN COc1ccc(-c2cccc(CN3CC4(CCC4)C3)n2)cc1 ZINC001140953069 1131972509 /nfs/dbraw/zinc/97/25/09/1131972509.db2.gz PSUNEGYALRSXEY-UHFFFAOYSA-N 0 1 294.398 3.743 20 0 CHADMN FC(F)(F)c1n[nH]cc1CN1CCC[C@@H]2CCCC[C@H]21 ZINC001141015760 1131984584 /nfs/dbraw/zinc/98/45/84/1131984584.db2.gz MVNRPJOQFSSGIA-CMPLNLGQSA-N 0 1 287.329 3.583 20 0 CHADMN C[C@]1(F)CCCC[N@@H+](Cc2ccc3cccc(O)c3n2)C1 ZINC001141019575 1131985715 /nfs/dbraw/zinc/98/57/15/1131985715.db2.gz JSSWWOMJOVDMJZ-KRWDZBQOSA-N 0 1 288.366 3.655 20 0 CHADMN C[C@]1(F)CCCCN(Cc2ccc3cccc(O)c3n2)C1 ZINC001141019575 1131985717 /nfs/dbraw/zinc/98/57/17/1131985717.db2.gz JSSWWOMJOVDMJZ-KRWDZBQOSA-N 0 1 288.366 3.655 20 0 CHADMN CCC[C@@H]1CCCC[C@H]1Oc1nnc2c[nH]ccc1-2 ZINC001228989103 1131994396 /nfs/dbraw/zinc/99/43/96/1131994396.db2.gz DVXSHCPACZBSHQ-BXUZGUMPSA-N 0 1 259.353 3.696 20 0 CHADMN Fc1cccc([C@@H]2CCCN2Cc2ccn3ccnc3c2)c1 ZINC001141044432 1131994516 /nfs/dbraw/zinc/99/45/16/1131994516.db2.gz KAEFUVACFANRDD-KRWDZBQOSA-N 0 1 295.361 3.811 20 0 CHADMN Cc1ncoc1CN1CCC(c2nc3ccccc3o2)CC1 ZINC001141050971 1131996571 /nfs/dbraw/zinc/99/65/71/1131996571.db2.gz NKMZLIOSBKGWSH-UHFFFAOYSA-N 0 1 297.358 3.504 20 0 CHADMN Cc1ncoc1CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001141053917 1131997273 /nfs/dbraw/zinc/99/72/73/1131997273.db2.gz SUMXMNHTBGQIIP-CYBMUJFWSA-N 0 1 276.767 3.626 20 0 CHADMN Cc1ncoc1CN1CCC2(CC1)O[C@@H](C)c1ccccc12 ZINC001141058394 1132000209 /nfs/dbraw/zinc/00/02/09/1132000209.db2.gz ZNKKUUFZCRSSPQ-AWEZNQCLSA-N 0 1 298.386 3.566 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@H](C)c1ccns1)CCC2 ZINC000716019021 1132001156 /nfs/dbraw/zinc/00/11/56/1132001156.db2.gz GPSNCNIASUXMKB-ABAIWWIYSA-N 0 1 288.416 3.880 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@H](C)c2ccns2)s1 ZINC000716033279 1132002281 /nfs/dbraw/zinc/00/22/81/1132002281.db2.gz JKGTUFHOPLEVGC-SFYZADRCSA-N 0 1 267.423 3.628 20 0 CHADMN CC(C)C[N@@H+](C)Cc1ccncc1NC(=O)OC(C)(C)C ZINC001141082834 1132007378 /nfs/dbraw/zinc/00/73/78/1132007378.db2.gz WBPOSKYHMMDKEC-UHFFFAOYSA-N 0 1 293.411 3.516 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccns1)c1ccc(F)c(F)c1 ZINC000716012666 1132008534 /nfs/dbraw/zinc/00/85/34/1132008534.db2.gz DATJISCFUMVYJU-BDAKNGLRSA-N 0 1 268.332 3.833 20 0 CHADMN Cc1cccc(CN2CCC[C@H]3C[C@H]32)c1Br ZINC001141093302 1132012262 /nfs/dbraw/zinc/01/22/62/1132012262.db2.gz VEYLMNYOUHUBGI-WCQYABFASA-N 0 1 280.209 3.742 20 0 CHADMN CCCN(Cc1ncc(Cl)nc1Cl)CC(C)C ZINC001141137734 1132026433 /nfs/dbraw/zinc/02/64/33/1132026433.db2.gz OKBRTCLYNPFVTE-UHFFFAOYSA-N 0 1 276.211 3.651 20 0 CHADMN Cc1nc2cc(NCc3cccc4ncoc43)ccc2[nH]1 ZINC001171459423 1132035291 /nfs/dbraw/zinc/03/52/91/1132035291.db2.gz ANBJEOHYUHOUHC-UHFFFAOYSA-N 0 1 278.315 3.625 20 0 CHADMN CC(C)c1cccc(CN2CCOC[C@H]2C2CCC2)c1 ZINC001171472046 1132041297 /nfs/dbraw/zinc/04/12/97/1132041297.db2.gz WSLFSCUVDQTRCY-SFHVURJKSA-N 0 1 273.420 3.811 20 0 CHADMN COc1ccc(C(F)(F)F)cc1CN1C[C@H]2CC[C@@H]1C2 ZINC001141203626 1132041562 /nfs/dbraw/zinc/04/15/62/1132041562.db2.gz RBHISOOIWUSIOL-GXFFZTMASA-N 0 1 285.309 3.698 20 0 CHADMN FC[C@H]1CCCN1Cc1cccc(-c2ccc(F)cc2)n1 ZINC001141210418 1132044101 /nfs/dbraw/zinc/04/41/01/1132044101.db2.gz OMRJJPRYOSVIIE-MRXNPFEDSA-N 0 1 288.341 3.822 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H](F)CC2)ccc1Cl ZINC001141234384 1132054979 /nfs/dbraw/zinc/05/49/79/1132054979.db2.gz KTTVGJJLZLCTHU-ZDUSSCGKSA-N 0 1 255.764 3.972 20 0 CHADMN Cc1cccc2c1CC[C@@H](N(C)CC(=O)c1ccccc1)C2 ZINC001171574006 1132061759 /nfs/dbraw/zinc/06/17/59/1132061759.db2.gz KWLUNCHHLLVLHI-GOSISDBHSA-N 0 1 293.410 3.667 20 0 CHADMN Cc1cccc2c1CC[C@@H](N1Cc3cnc(Cl)cc3C1)C2 ZINC001171577126 1132062070 /nfs/dbraw/zinc/06/20/70/1132062070.db2.gz BXMOCDAOHINJLP-MRXNPFEDSA-N 0 1 298.817 3.917 20 0 CHADMN COc1cc(F)c(CN2[C@H](C)CCC[C@H]2C)cc1OC ZINC001141272462 1132066928 /nfs/dbraw/zinc/06/69/28/1132066928.db2.gz OQXOOJFPDFVANQ-VXGBXAGGSA-N 0 1 281.371 3.606 20 0 CHADMN Fc1ccc(Oc2ccc(CN3CCC3)cc2)cc1 ZINC001141315197 1132079887 /nfs/dbraw/zinc/07/98/87/1132079887.db2.gz UTVLUOBVYVOLCM-UHFFFAOYSA-N 0 1 257.308 3.824 20 0 CHADMN CC[N@H+]1CCC[C@H](Oc2cc(C)cc(C)c2Cl)C1 ZINC001229523875 1132081723 /nfs/dbraw/zinc/08/17/23/1132081723.db2.gz QZLAVYVNJRKAOP-ZDUSSCGKSA-N 0 1 267.800 3.820 20 0 CHADMN CCN1CCC[C@H](Oc2cc(C)cc(C)c2Cl)C1 ZINC001229523875 1132081733 /nfs/dbraw/zinc/08/17/33/1132081733.db2.gz QZLAVYVNJRKAOP-ZDUSSCGKSA-N 0 1 267.800 3.820 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N1C[C@]2(C)COC[C@]2(C)C1 ZINC001171835492 1132105038 /nfs/dbraw/zinc/10/50/38/1132105038.db2.gz ZWLVCIZYYCADPY-KNXALSJPSA-N 0 1 297.801 3.899 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC001171879407 1132110455 /nfs/dbraw/zinc/11/04/55/1132110455.db2.gz QMRGWRSDSVRBJO-DLBZAZTESA-N 0 1 296.499 3.782 20 0 CHADMN COc1ccc2nc(O[C@H]3CCc4c3cccc4C)[nH]c2c1 ZINC001229727848 1132110863 /nfs/dbraw/zinc/11/08/63/1132110863.db2.gz SWUNFXUGSZYZST-KRWDZBQOSA-N 0 1 294.354 3.946 20 0 CHADMN C[C@H](Cc1ccccc1)Oc1ccc(F)cc1CN(C)C ZINC001229853163 1132125451 /nfs/dbraw/zinc/12/54/51/1132125451.db2.gz CXGWVBUEGBAVCN-CQSZACIVSA-N 0 1 287.378 3.897 20 0 CHADMN C[C@H](Oc1ccc(F)cc1CN(C)C)c1cccnc1F ZINC001229858522 1132125953 /nfs/dbraw/zinc/12/59/53/1132125953.db2.gz OEGRLLHGEHRKCC-NSHDSACASA-N 0 1 292.329 3.561 20 0 CHADMN Cc1csc([C@@H](C)N[C@@H]2CSc3ccccc3C2)n1 ZINC001172182978 1132135394 /nfs/dbraw/zinc/13/53/94/1132135394.db2.gz ASPRJQOXYAOTRC-YPMHNXCESA-N 0 1 290.457 3.819 20 0 CHADMN C[C@@H](N[C@H]1CSc2ccccc2C1)c1cscn1 ZINC001172183042 1132136487 /nfs/dbraw/zinc/13/64/87/1132136487.db2.gz BAJQLXLBIKGPEN-ZYHUDNBSSA-N 0 1 276.430 3.511 20 0 CHADMN CCCc1cc(F)c(O[C@H]2CCC[N@@H+](CC)C2)c(F)c1 ZINC001229964154 1132136615 /nfs/dbraw/zinc/13/66/15/1132136615.db2.gz BQHYYOJPENTTLM-ZDUSSCGKSA-N 0 1 283.362 3.780 20 0 CHADMN CCCc1cc(F)c(O[C@H]2CCCN(CC)C2)c(F)c1 ZINC001229964154 1132136616 /nfs/dbraw/zinc/13/66/16/1132136616.db2.gz BQHYYOJPENTTLM-ZDUSSCGKSA-N 0 1 283.362 3.780 20 0 CHADMN CN(Cc1cccc(Cl)c1)C[C@H]1CC1(Cl)Cl ZINC000838489022 1132138101 /nfs/dbraw/zinc/13/81/01/1132138101.db2.gz SBZVNSSHJCWXAT-SNVBAGLBSA-N 0 1 278.610 3.966 20 0 CHADMN CN(Cc1ccc(Cl)cc1)C[C@@H]1CC1(Cl)Cl ZINC000838483914 1132138703 /nfs/dbraw/zinc/13/87/03/1132138703.db2.gz VWNSLDKJGLCTJP-JTQLQIEISA-N 0 1 278.610 3.966 20 0 CHADMN Oc1ccc(C2=CCN(C[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000838927322 1132159216 /nfs/dbraw/zinc/15/92/16/1132159216.db2.gz YLGBDWMFAYTNIN-ZDUSSCGKSA-N 0 1 298.213 3.675 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@@H]1CCc2ccccc21 ZINC001230223682 1132162149 /nfs/dbraw/zinc/16/21/49/1132162149.db2.gz UTXVFZHHKSQYLQ-MRXNPFEDSA-N 0 1 264.328 3.938 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@H]1CCCc2cccnc21 ZINC001230223869 1132162186 /nfs/dbraw/zinc/16/21/86/1132162186.db2.gz WMBMMGKBIATWFR-HNNXBMFYSA-N 0 1 279.343 3.723 20 0 CHADMN CC1(C)C[C@H](N2CCC[C@@H]2c2cc(F)cc(F)c2)CO1 ZINC001172291661 1132164684 /nfs/dbraw/zinc/16/46/84/1132164684.db2.gz BNAYDNAXFBSNBC-LSDHHAIUSA-N 0 1 281.346 3.669 20 0 CHADMN Cc1ccccc1CC1CN(Cc2ccc(F)nc2C)C1 ZINC000839131945 1132182504 /nfs/dbraw/zinc/18/25/04/1132182504.db2.gz QNEHICDZOOGQAA-UHFFFAOYSA-N 0 1 284.378 3.512 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)N(C)Cc1cccnc1Cl ZINC000839187958 1132189750 /nfs/dbraw/zinc/18/97/50/1132189750.db2.gz RYKWUVBOJMZOBT-LBPRGKRZSA-N 0 1 292.785 3.937 20 0 CHADMN CCc1ccc(CN[C@H](CC)c2ccccc2OC)nc1 ZINC000839537833 1132221706 /nfs/dbraw/zinc/22/17/06/1132221706.db2.gz AVXILGHXOURHFP-QGZVFWFLSA-N 0 1 284.403 3.894 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)c2csc3ccccc23)n[nH]1 ZINC000839554382 1132223495 /nfs/dbraw/zinc/22/34/95/1132223495.db2.gz YFKJVKCOELZDOF-ZJUUUORDSA-N 0 1 286.404 3.740 20 0 CHADMN Fc1ccc2nc(C[N@H+]3CC[C@@H](C(F)(F)F)C3)ccc2c1 ZINC001141649658 1132224047 /nfs/dbraw/zinc/22/40/47/1132224047.db2.gz ZDCHGLGHIOTCRS-LLVKDONJSA-N 0 1 298.283 3.758 20 0 CHADMN Fc1ccc2nc(CN3CC[C@@H](C(F)(F)F)C3)ccc2c1 ZINC001141649658 1132224051 /nfs/dbraw/zinc/22/40/51/1132224051.db2.gz ZDCHGLGHIOTCRS-LLVKDONJSA-N 0 1 298.283 3.758 20 0 CHADMN C[C@@H](Oc1nncc2n[nH]cc21)c1ccc2ccccc2c1 ZINC001230895945 1132225662 /nfs/dbraw/zinc/22/56/62/1132225662.db2.gz MFIYWWHDMBZPRW-LLVKDONJSA-N 0 1 290.326 3.646 20 0 CHADMN C[C@@H](COc1cc2[nH]ncc2c(F)c1)Oc1ccccc1 ZINC001230932911 1132230912 /nfs/dbraw/zinc/23/09/12/1132230912.db2.gz BSMKRTPHGVSVPQ-NSHDSACASA-N 0 1 286.306 3.548 20 0 CHADMN CC(C)OCC[C@H](C)N(C)Cc1cccc(F)c1F ZINC001172454264 1132239383 /nfs/dbraw/zinc/23/93/83/1132239383.db2.gz JLRGLLMBHARTTF-LBPRGKRZSA-N 0 1 271.351 3.600 20 0 CHADMN CC(C)COCC[C@H](C)N[C@@H]1CCCCC1(F)F ZINC001172460232 1132241459 /nfs/dbraw/zinc/24/14/59/1132241459.db2.gz PTRRBUBHGKLVHD-QWHCGFSZSA-N 0 1 263.372 3.605 20 0 CHADMN F[C@H]1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001141734808 1132242223 /nfs/dbraw/zinc/24/22/23/1132242223.db2.gz INRGLHJQQRZYMS-INIZCTEOSA-N 0 1 267.347 3.802 20 0 CHADMN c1ccc2c(c1)Cc1cc(CN3C[C@H]4CC[C@@H](C3)O4)ccc1-2 ZINC001141734717 1132242513 /nfs/dbraw/zinc/24/25/13/1132242513.db2.gz FSFMNGDGRXYDJD-HDICACEKSA-N 0 1 291.394 3.621 20 0 CHADMN CC[C@H]1CCCN1CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1 ZINC000839988381 1132243910 /nfs/dbraw/zinc/24/39/10/1132243910.db2.gz NPPQMNAFZHAPNA-IRXDYDNUSA-N 0 1 298.430 3.572 20 0 CHADMN CC/C=C(\C)[C@H](CC)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231049270 1132248107 /nfs/dbraw/zinc/24/81/07/1132248107.db2.gz YNCCZHIAAUBTGR-PCGIRMHASA-N 0 1 280.759 3.520 20 0 CHADMN CC/C=C(\C)[C@@H](CC)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231049271 1132248453 /nfs/dbraw/zinc/24/84/53/1132248453.db2.gz YNCCZHIAAUBTGR-QEHWCHDUSA-N 0 1 280.759 3.520 20 0 CHADMN CC(C)N(C)Cc1cc(Br)cc(F)c1F ZINC001141795638 1132249694 /nfs/dbraw/zinc/24/96/94/1132249694.db2.gz LSKZGZVJEXFASF-UHFFFAOYSA-N 0 1 278.140 3.568 20 0 CHADMN Fc1ccc2occ(C[N@H+]3CC[C@@H]4CCCO[C@H]4C3)c2c1 ZINC001141849225 1132256072 /nfs/dbraw/zinc/25/60/72/1132256072.db2.gz XWRXUAHCQMXULQ-SJCJKPOMSA-N 0 1 289.350 3.573 20 0 CHADMN Fc1ccc2occ(CN3CC[C@@H]4CCCO[C@H]4C3)c2c1 ZINC001141849225 1132256081 /nfs/dbraw/zinc/25/60/81/1132256081.db2.gz XWRXUAHCQMXULQ-SJCJKPOMSA-N 0 1 289.350 3.573 20 0 CHADMN Cc1cccc(CCC(=O)Nc2ccc(F)c(F)c2O)c1 ZINC001141877577 1132261034 /nfs/dbraw/zinc/26/10/34/1132261034.db2.gz WVXZFZDPAVYOPI-UHFFFAOYSA-N 0 1 291.297 3.550 20 0 CHADMN CCCCOc1ccc(-c2noc(-c3[nH]cnc3C)n2)cc1 ZINC001212668952 1132264868 /nfs/dbraw/zinc/26/48/68/1132264868.db2.gz ZDFKRMQREOTEHL-UHFFFAOYSA-N 0 1 298.346 3.614 20 0 CHADMN CC[C@@H](F)C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC001141945192 1132270036 /nfs/dbraw/zinc/27/00/36/1132270036.db2.gz PGFNSKMCGIKMPQ-SNVBAGLBSA-N 0 1 287.294 3.510 20 0 CHADMN CCCN(CC(=O)OCC)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172568860 1132272217 /nfs/dbraw/zinc/27/22/17/1132272217.db2.gz OGWUHFCGDWPKIK-IAGOWNOFSA-N 0 1 289.419 3.598 20 0 CHADMN C[C@@H](N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ncc(F)cn1 ZINC001172539797 1132276443 /nfs/dbraw/zinc/27/64/43/1132276443.db2.gz JNBNDAXXKINNCK-UNEWFSDZSA-N 0 1 299.393 3.993 20 0 CHADMN CC[C@@H](NCc1cnc(C)o1)c1ccc2c(c1)CCCO2 ZINC000840795534 1132288325 /nfs/dbraw/zinc/28/83/25/1132288325.db2.gz HTHIJEVJESNESC-MRXNPFEDSA-N 0 1 286.375 3.549 20 0 CHADMN Cc1ncc(CN2CCC(Sc3ccccc3)CC2)cn1 ZINC001203116504 1132292616 /nfs/dbraw/zinc/29/26/16/1132292616.db2.gz FPHSSRDQIFVYKC-UHFFFAOYSA-N 0 1 299.443 3.542 20 0 CHADMN C[C@@H]1CN(Cc2ccc3cc(N(C)C)ccc3c2)[C@H](C)CO1 ZINC001231441913 1132294647 /nfs/dbraw/zinc/29/46/47/1132294647.db2.gz HCIVHCLTGYQMFH-HUUCEWRRSA-N 0 1 298.430 3.515 20 0 CHADMN F[C@H]1CCCCN([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172718713 1132295629 /nfs/dbraw/zinc/29/56/29/1132295629.db2.gz KDCISJCNDPZYNM-GJZGRUSLSA-N 0 1 267.775 3.631 20 0 CHADMN C1N(C2CCC3(CCCC3)CC2)CC12CCCCO2 ZINC001172726978 1132301600 /nfs/dbraw/zinc/30/16/00/1132301600.db2.gz MHENOMUBFNCADD-UHFFFAOYSA-N 0 1 263.425 3.744 20 0 CHADMN CCn1ccnc1NCc1cc(C)cc(Br)c1 ZINC000840887588 1132303031 /nfs/dbraw/zinc/30/30/31/1132303031.db2.gz MELTUAJRZRPDCZ-UHFFFAOYSA-N 0 1 294.196 3.586 20 0 CHADMN FC(F)(F)Oc1cccc(CNc2nccn2C2CC2)c1 ZINC000840887112 1132303935 /nfs/dbraw/zinc/30/39/35/1132303935.db2.gz JAZJPDZFRVLWKO-UHFFFAOYSA-N 0 1 297.280 3.729 20 0 CHADMN CC(=O)[C@@H](N[C@@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC001172710129 1132308229 /nfs/dbraw/zinc/30/82/29/1132308229.db2.gz RAPZGZSMTMNBBR-QZTJIDSGSA-N 0 1 299.801 3.727 20 0 CHADMN CC[C@@H]1COCCN1Cc1cccc(-c2ccccc2)c1 ZINC001231511309 1132310300 /nfs/dbraw/zinc/31/03/00/1132310300.db2.gz LMOAOHVPGMFSDR-LJQANCHMSA-N 0 1 281.399 3.964 20 0 CHADMN c1cc(CN2CC3(CCOCC3)[C@H]2c2ccccc2)co1 ZINC000840962181 1132313020 /nfs/dbraw/zinc/31/30/20/1132313020.db2.gz GLNMMVIPHVYLBQ-QGZVFWFLSA-N 0 1 283.371 3.633 20 0 CHADMN [O-]c1ccc(C[N@H+](CC2CC2)C2CC2)cc1C(F)(F)F ZINC001231525692 1132314127 /nfs/dbraw/zinc/31/41/27/1132314127.db2.gz FMTVFTWUSPROHE-UHFFFAOYSA-N 0 1 285.309 3.785 20 0 CHADMN [O-]c1ccc(C[N@@H+](CC2CC2)C2CC2)cc1C(F)(F)F ZINC001231525692 1132314134 /nfs/dbraw/zinc/31/41/34/1132314134.db2.gz FMTVFTWUSPROHE-UHFFFAOYSA-N 0 1 285.309 3.785 20 0 CHADMN O=C([O-])[C@H]1CCC[N@H+]1[C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000840995980 1132319108 /nfs/dbraw/zinc/31/91/08/1132319108.db2.gz BESBNVHJRSWWGS-GVDBMIGSSA-N 0 1 287.403 3.652 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(Br)c[nH]2)cc1 ZINC001231577274 1132319462 /nfs/dbraw/zinc/31/94/62/1132319462.db2.gz TYQVYQQZQLGKBH-UHFFFAOYSA-N 0 1 293.208 3.718 20 0 CHADMN C[C@H]1CCN(Cc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC001231582433 1132319629 /nfs/dbraw/zinc/31/96/29/1132319629.db2.gz MGMQKLZWAMIBKC-RYUDHWBXSA-N 0 1 264.438 3.642 20 0 CHADMN Cc1ccc(-c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)o1 ZINC001231595225 1132320894 /nfs/dbraw/zinc/32/08/94/1132320894.db2.gz RGGRSIWBQWKXDP-GJZGRUSLSA-N 0 1 285.387 3.864 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c(Cl)n1 ZINC001142125326 1132329872 /nfs/dbraw/zinc/32/98/72/1132329872.db2.gz PLBFARJYMZPKPI-STQMWFEESA-N 0 1 264.800 3.665 20 0 CHADMN Cc1sc2ccccc2c1CN(C)Cc1cnn(C)c1 ZINC001231643745 1132332108 /nfs/dbraw/zinc/33/21/08/1132332108.db2.gz ANSSTCUOYRIMIU-UHFFFAOYSA-N 0 1 285.416 3.575 20 0 CHADMN Cc1ccc(CN2C[C@H]3[C@H](CF)[C@H]3C2)c(Cl)c1Cl ZINC001231666972 1132340592 /nfs/dbraw/zinc/34/05/92/1132340592.db2.gz BDHOUFFBMHDNQI-CNDDSTCGSA-N 0 1 288.193 3.949 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1cc2cc[nH]c2cn1 ZINC001231669830 1132344001 /nfs/dbraw/zinc/34/40/01/1132344001.db2.gz OPJIAKSQMOZXIX-VMPITWQZSA-N 0 1 277.371 3.708 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001172858892 1132344462 /nfs/dbraw/zinc/34/44/62/1132344462.db2.gz WNBVOINVAOEELM-WQGACYEGSA-N 0 1 297.801 3.521 20 0 CHADMN COc1cc(Cl)c(CN2CCCC2(C)C)c(OC)c1 ZINC001231693558 1132344549 /nfs/dbraw/zinc/34/45/49/1132344549.db2.gz BJMNPWDNWBSUJN-UHFFFAOYSA-N 0 1 283.799 3.732 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1cc2cc[nH]c2cn1 ZINC001231669834 1132344819 /nfs/dbraw/zinc/34/48/19/1132344819.db2.gz OUNVKBLVWWBFQB-ZDUSSCGKSA-N 0 1 295.386 3.765 20 0 CHADMN F[C@@H]1C[C@@H]2C[C@H]1CN2Cc1nc(-c2ccccc2)cs1 ZINC001231682236 1132345216 /nfs/dbraw/zinc/34/52/16/1132345216.db2.gz IWDFJBXOZOHLIK-MELADBBJSA-N 0 1 288.391 3.742 20 0 CHADMN [O-]c1cc(C[N@H+]2CCC3(CCCC3)C2)ccc1Cl ZINC001231733758 1132348799 /nfs/dbraw/zinc/34/87/99/1132348799.db2.gz GLEKXZWWKXVGLI-UHFFFAOYSA-N 0 1 265.784 3.812 20 0 CHADMN CCCC1CCC(NC(=O)c2cccc3nc(C)[nH]c32)CC1 ZINC001142244099 1132355309 /nfs/dbraw/zinc/35/53/09/1132355309.db2.gz NPQBYXAUKQLRJR-UHFFFAOYSA-N 0 1 299.418 3.960 20 0 CHADMN CCOc1ncccc1C[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001231766132 1132357718 /nfs/dbraw/zinc/35/77/18/1132357718.db2.gz USLMVSHHXOKDLD-IYBDPMFKSA-N 0 1 294.398 3.567 20 0 CHADMN CCOc1ncccc1CN1CCC[C@H]1c1cccs1 ZINC001231765115 1132358202 /nfs/dbraw/zinc/35/82/02/1132358202.db2.gz MNOZTXZSASOOOS-AWEZNQCLSA-N 0 1 288.416 3.879 20 0 CHADMN C[N@@H+](Cc1ccsc1)Cc1ccc2c(c1)OCCCO2 ZINC001142266889 1132359203 /nfs/dbraw/zinc/35/92/03/1132359203.db2.gz OKWRTBXNSVDBGL-UHFFFAOYSA-N 0 1 289.400 3.541 20 0 CHADMN CN(Cc1ccsc1)Cc1ccc2c(c1)OCCCO2 ZINC001142266889 1132359209 /nfs/dbraw/zinc/35/92/09/1132359209.db2.gz OKWRTBXNSVDBGL-UHFFFAOYSA-N 0 1 289.400 3.541 20 0 CHADMN COc1cccc2c1CN(Cc1ccccc1SC)CC2 ZINC001231783348 1132359517 /nfs/dbraw/zinc/35/95/17/1132359517.db2.gz DYZXBPVBNOYSLT-UHFFFAOYSA-N 0 1 299.439 3.975 20 0 CHADMN CC(C)[C@@H]1COCCN1Cc1ccc(OC(C)(C)C)cc1 ZINC001231805618 1132368511 /nfs/dbraw/zinc/36/85/11/1132368511.db2.gz PVVBVDKJHSVJOD-KRWDZBQOSA-N 0 1 291.435 3.721 20 0 CHADMN COC1(C)CN(Cc2ccccc2-c2ccccc2)C1 ZINC001142331381 1132370707 /nfs/dbraw/zinc/37/07/07/1132370707.db2.gz WJJQGDIQFDPSMR-UHFFFAOYSA-N 0 1 267.372 3.574 20 0 CHADMN FC1(F)CCCC[C@H]1NC1CCC2(CCOCC2)CC1 ZINC001173042600 1132379664 /nfs/dbraw/zinc/37/96/64/1132379664.db2.gz XTRKSEARPLTHBN-CQSZACIVSA-N 0 1 287.394 3.893 20 0 CHADMN Cc1ccc2ccccc2c1CN(C1CC1)C1COC1 ZINC001142384117 1132380823 /nfs/dbraw/zinc/38/08/23/1132380823.db2.gz XJEOBGHBQFQGFB-UHFFFAOYSA-N 0 1 267.372 3.511 20 0 CHADMN CCCOc1ncccc1CN1CCCc2ccccc2C1 ZINC001231864358 1132381590 /nfs/dbraw/zinc/38/15/90/1132381590.db2.gz NFBSNADQZJMRAR-UHFFFAOYSA-N 0 1 296.414 3.819 20 0 CHADMN CCCOc1ncccc1CN(C)CCc1cccc(C)c1 ZINC001231864820 1132381799 /nfs/dbraw/zinc/38/17/99/1132381799.db2.gz WZVDETWNGOGRIF-UHFFFAOYSA-N 0 1 298.430 3.853 20 0 CHADMN CCC(CC)N(C)Cc1cc(Br)ncc1F ZINC001231915180 1132399134 /nfs/dbraw/zinc/39/91/34/1132399134.db2.gz CBSUMKPVANLUMO-UHFFFAOYSA-N 0 1 289.192 3.604 20 0 CHADMN C[C@@H]1CCN(Cc2ccnc(C(F)F)c2)[C@@H](C)C1 ZINC001231890350 1132394035 /nfs/dbraw/zinc/39/40/35/1132394035.db2.gz YYAKJGBVZGFGAD-MNOVXSKESA-N 0 1 254.324 3.640 20 0 CHADMN COc1cccc2c(C[N@H+]3CCC[C@@H]4CCC[C@H]43)c[nH]c21 ZINC001231899042 1132396982 /nfs/dbraw/zinc/39/69/82/1132396982.db2.gz JVNFTMVIPUGURS-XJKSGUPXSA-N 0 1 284.403 3.941 20 0 CHADMN CN(Cc1cnc(C(F)(F)F)cc1Cl)C(C)(C)C ZINC001231902856 1132399948 /nfs/dbraw/zinc/39/99/48/1132399948.db2.gz YGBSYYBQUOZIIM-UHFFFAOYSA-N 0 1 280.721 3.984 20 0 CHADMN c1ncc2c(n1)CCN(C1CCC3(CCCCC3)CC1)C2 ZINC001173119316 1132400092 /nfs/dbraw/zinc/40/00/92/1132400092.db2.gz MXFGWGZSSPTWMQ-UHFFFAOYSA-N 0 1 285.435 3.728 20 0 CHADMN CC(C)(C)C1CCN(Cc2ncccc2Cl)CC1 ZINC001231958041 1132403656 /nfs/dbraw/zinc/40/36/56/1132403656.db2.gz JBAVPNYETCDQAW-UHFFFAOYSA-N 0 1 266.816 3.993 20 0 CHADMN FC(F)(F)c1cccnc1CN1CC[C@@H]2CCC[C@H]2C1 ZINC001231962365 1132403912 /nfs/dbraw/zinc/40/39/12/1132403912.db2.gz DDNJQXWMLMVTRY-RYUDHWBXSA-N 0 1 284.325 3.722 20 0 CHADMN CCN(Cc1cccc2c[nH]nc21)Cc1ccccc1F ZINC001231973791 1132404059 /nfs/dbraw/zinc/40/40/59/1132404059.db2.gz KVMAGHOUUCKDRV-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN FC1CCN(Cc2ccc3ccnc(Cl)c3c2)CC1 ZINC001231977027 1132405486 /nfs/dbraw/zinc/40/54/86/1132405486.db2.gz ZRESFZGQIOMIGW-UHFFFAOYSA-N 0 1 278.758 3.822 20 0 CHADMN Cc1cc(C[N@H+]2CCCC[C@H]2c2cccnc2)cc(C)n1 ZINC001231999946 1132407927 /nfs/dbraw/zinc/40/79/27/1132407927.db2.gz AZXYZUMPJITPTP-SFHVURJKSA-N 0 1 281.403 3.821 20 0 CHADMN Cc1cc(CN2CCCC[C@H]2c2cccnc2)cc(C)n1 ZINC001231999946 1132407930 /nfs/dbraw/zinc/40/79/30/1132407930.db2.gz AZXYZUMPJITPTP-SFHVURJKSA-N 0 1 281.403 3.821 20 0 CHADMN C[C@@H](CC(c1ccccc1)c1ccccc1)N1CC(C)(O)C1 ZINC001173216296 1132411295 /nfs/dbraw/zinc/41/12/95/1132411295.db2.gz XACIAPGIMZDRCQ-INIZCTEOSA-N 0 1 295.426 3.664 20 0 CHADMN COc1cccc2[nH]cc(CN(C)Cc3ccsc3)c21 ZINC001232036528 1132412907 /nfs/dbraw/zinc/41/29/07/1132412907.db2.gz JIEDNDVAPAMPAZ-UHFFFAOYSA-N 0 1 286.400 3.870 20 0 CHADMN c1c(CN2CCC[C@H]3CCCC[C@@H]32)[nH]c2cccnc12 ZINC001232065192 1132417169 /nfs/dbraw/zinc/41/71/69/1132417169.db2.gz MZLZTFVCJGFGFF-DYVFJYSZSA-N 0 1 269.392 3.718 20 0 CHADMN CC(C)[N@H+](Cc1ccc(Cl)cc1C(=O)[O-])CC1CC1 ZINC001142656899 1132417925 /nfs/dbraw/zinc/41/79/25/1132417925.db2.gz MIZGDKDVBMLPMQ-UHFFFAOYSA-N 0 1 281.783 3.659 20 0 CHADMN CCCC[C@@H](CC(C)C)NCc1nc(CC)co1 ZINC001173246982 1132418904 /nfs/dbraw/zinc/41/89/04/1132418904.db2.gz UGQDPQGPZYLUHZ-AWEZNQCLSA-N 0 1 252.402 3.932 20 0 CHADMN c1c2ccncc2[nH]c1CN1CC[C@@H]1c1ccccc1 ZINC001232095341 1132421947 /nfs/dbraw/zinc/42/19/47/1132421947.db2.gz DHGQFIOJLWRNLH-QGZVFWFLSA-N 0 1 263.344 3.510 20 0 CHADMN Fc1cc(F)c(CN2C[C@@H]3CCC[C@@H]3C2)c(Cl)c1 ZINC001232097433 1132422458 /nfs/dbraw/zinc/42/24/58/1132422458.db2.gz NWLPPHJZEIBQIZ-AOOOYVTPSA-N 0 1 271.738 3.850 20 0 CHADMN CCCC[C@H](CC(C)C)NC1(c2nc(C)no2)CC1 ZINC001173255836 1132424241 /nfs/dbraw/zinc/42/42/41/1132424241.db2.gz GVCRKKRAYQLTSK-CYBMUJFWSA-N 0 1 265.401 3.562 20 0 CHADMN CCCC[C@H](CC(C)C)N1CC(F)(F)C[C@@]1(C)CO ZINC001173258657 1132426445 /nfs/dbraw/zinc/42/64/45/1132426445.db2.gz YDUGGLCNNJDGQZ-KGLIPLIRSA-N 0 1 277.399 3.683 20 0 CHADMN CCCC[C@@H](CC(C)C)N1CC(F)(F)C[C@@]1(C)CO ZINC001173258656 1132426725 /nfs/dbraw/zinc/42/67/25/1132426725.db2.gz YDUGGLCNNJDGQZ-KBPBESRZSA-N 0 1 277.399 3.683 20 0 CHADMN Cc1ccccc1CN(C)Cc1cnc(-c2cccnc2)o1 ZINC001232136907 1132427190 /nfs/dbraw/zinc/42/71/90/1132427190.db2.gz FMZAGFMBKFXUMO-UHFFFAOYSA-N 0 1 293.370 3.677 20 0 CHADMN CCN(Cc1cccc2[nH]cnc21)Cc1ccccc1F ZINC001142689914 1132427666 /nfs/dbraw/zinc/42/76/66/1132427666.db2.gz NTOFHGJNLNTRPT-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN COc1ccnc(Cl)c1CN1CCC[C@@H]2CCC[C@H]21 ZINC001232153961 1132427894 /nfs/dbraw/zinc/42/78/94/1132427894.db2.gz DJPGOEROWWATOI-WCQYABFASA-N 0 1 280.799 3.508 20 0 CHADMN COc1ccnc(Cl)c1CN1CCCCCCCC1 ZINC001232158668 1132429335 /nfs/dbraw/zinc/42/93/35/1132429335.db2.gz AKKFQYVJHPEADI-UHFFFAOYSA-N 0 1 282.815 3.900 20 0 CHADMN Cc1cnc(CN2CCC[C@@H](C)[C@H]2C)c(Br)c1 ZINC001232175177 1132432393 /nfs/dbraw/zinc/43/23/93/1132432393.db2.gz CSERJEXDNGYEQA-VXGBXAGGSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1c(Cl)cc(NC(=O)CC(C)C)c(O)c1Cl ZINC001142709990 1132433283 /nfs/dbraw/zinc/43/32/83/1132433283.db2.gz GVLUKQAHEGNBLN-UHFFFAOYSA-N 0 1 276.163 3.992 20 0 CHADMN Clc1cccc([C@@H]2CC[N@@H+](Cc3ccns3)C2)c1 ZINC001232192336 1132433599 /nfs/dbraw/zinc/43/35/99/1132433599.db2.gz GFMBYYUGILFTFC-GFCCVEGCSA-N 0 1 278.808 3.786 20 0 CHADMN Clc1cccc([C@@H]2CCN(Cc3ccns3)C2)c1 ZINC001232192336 1132433606 /nfs/dbraw/zinc/43/36/06/1132433606.db2.gz GFMBYYUGILFTFC-GFCCVEGCSA-N 0 1 278.808 3.786 20 0 CHADMN Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccns1 ZINC001232190257 1132433735 /nfs/dbraw/zinc/43/37/35/1132433735.db2.gz PNECBTMSCBPCQG-HNNXBMFYSA-N 0 1 258.390 3.789 20 0 CHADMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccns1 ZINC001232192505 1132434039 /nfs/dbraw/zinc/43/40/39/1132434039.db2.gz LOPMOAZGOWUQQZ-OAHLLOKOSA-N 0 1 258.390 3.653 20 0 CHADMN C[C@H]1CN(Cc2ccnc3c(F)cccc23)CCC1(F)F ZINC001232209368 1132436132 /nfs/dbraw/zinc/43/61/32/1132436132.db2.gz HENANBKUNGGDGX-NSHDSACASA-N 0 1 294.320 3.851 20 0 CHADMN COc1ccccc1C[C@H](C)N(C)Cc1ncsc1C ZINC001232211497 1132436606 /nfs/dbraw/zinc/43/66/06/1132436606.db2.gz FJAIIUTWVBRPRA-LBPRGKRZSA-N 0 1 290.432 3.523 20 0 CHADMN Cc1scnc1CN1CCC(c2ccc(O)cc2)CC1 ZINC001232213211 1132437371 /nfs/dbraw/zinc/43/73/71/1132437371.db2.gz YIVGLTFJZFATKK-UHFFFAOYSA-N 0 1 288.416 3.537 20 0 CHADMN Clc1ccccc1[C@H]1CCN(Cc2cnsc2)C1 ZINC001232226972 1132438626 /nfs/dbraw/zinc/43/86/26/1132438626.db2.gz IEFBTIMWMPKLIR-LBPRGKRZSA-N 0 1 278.808 3.786 20 0 CHADMN CC(C)(C)c1n[nH]c(SCC[C@@H]2CC2(Cl)Cl)n1 ZINC000842533649 1132438666 /nfs/dbraw/zinc/43/86/66/1132438666.db2.gz UAMPWCDFXXJTNN-SSDOTTSWSA-N 0 1 294.251 3.778 20 0 CHADMN CC(C)(C)c1nc(SCC[C@@H]2CC2(Cl)Cl)n[nH]1 ZINC000842533649 1132438668 /nfs/dbraw/zinc/43/86/68/1132438668.db2.gz UAMPWCDFXXJTNN-SSDOTTSWSA-N 0 1 294.251 3.778 20 0 CHADMN CC(C)(C)c1cc(CN2CC(c3ccccc3)C2)ccn1 ZINC001232216944 1132438944 /nfs/dbraw/zinc/43/89/44/1132438944.db2.gz BSGYXGDDKBQOID-UHFFFAOYSA-N 0 1 280.415 3.979 20 0 CHADMN CC(C)(C)N(Cc1cnsc1)Cc1ccccc1 ZINC001232225263 1132439194 /nfs/dbraw/zinc/43/91/94/1132439194.db2.gz ZCKMSQDSEPKODS-UHFFFAOYSA-N 0 1 260.406 3.944 20 0 CHADMN COc1ccc(C2CCN(Cc3cnsc3)CC2)cc1 ZINC001232227563 1132439557 /nfs/dbraw/zinc/43/95/57/1132439557.db2.gz PRJDVAJIZGTVQO-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN C[C@H]1CCCN(Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001232236994 1132443185 /nfs/dbraw/zinc/44/31/85/1132443185.db2.gz LQGZXXLZWPBMTE-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN Clc1cc(CN2CCC3(CCOCC3)CC2)cs1 ZINC001142771086 1132444535 /nfs/dbraw/zinc/44/45/35/1132444535.db2.gz NBSRSGBBYWKFTE-UHFFFAOYSA-N 0 1 285.840 3.794 20 0 CHADMN Oc1ccc(CN2CCc3sccc3C2)c2cccnc12 ZINC001232272833 1132447877 /nfs/dbraw/zinc/44/78/77/1132447877.db2.gz BMCZBTZMIJAGCW-UHFFFAOYSA-N 0 1 296.395 3.560 20 0 CHADMN CCCCCC[C@@H](C)Cc1nc([C@@H]2CCCN2)no1 ZINC000842641654 1132448222 /nfs/dbraw/zinc/44/82/22/1132448222.db2.gz PAKLIXNOVXVMME-OLZOCXBDSA-N 0 1 265.401 3.643 20 0 CHADMN Cc1cc(Br)ncc1CN1CCC[C@@H](C)[C@H]1C ZINC001232320524 1132454221 /nfs/dbraw/zinc/45/42/21/1132454221.db2.gz WAZXQJGGXZZGJK-ZYHUDNBSSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1nc(Br)ccc1CN1CCCCCCC1 ZINC001232323588 1132454716 /nfs/dbraw/zinc/45/47/16/1132454716.db2.gz GVDUEJBKSLCKPB-UHFFFAOYSA-N 0 1 297.240 3.919 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1cccc(-c2ccccn2)c1 ZINC001142828356 1132454818 /nfs/dbraw/zinc/45/48/18/1132454818.db2.gz BVGIYTRQKANCMY-CZUORRHYSA-N 0 1 270.351 3.681 20 0 CHADMN CSc1ccc(CN2CCCC3(CCC3)C2)cn1 ZINC001232329731 1132455852 /nfs/dbraw/zinc/45/58/52/1132455852.db2.gz BTUQNQHZAYWNEY-UHFFFAOYSA-N 0 1 262.422 3.570 20 0 CHADMN COc1cc(CN2CCCC[C@@H]2C)c(OC)cc1Cl ZINC001232370244 1132459772 /nfs/dbraw/zinc/45/97/72/1132459772.db2.gz LZNDOIWINIVEHY-NSHDSACASA-N 0 1 283.799 3.732 20 0 CHADMN COc1cc(CN2CC[C@@H](C)C[C@@H]2C)c(OC)cc1Cl ZINC001232374548 1132462798 /nfs/dbraw/zinc/46/27/98/1132462798.db2.gz WMDMIRABGBAKCA-NEPJUHHUSA-N 0 1 297.826 3.978 20 0 CHADMN Cc1cccc2nc(NC(=O)CCCc3ccccc3)[nH]c21 ZINC001142876130 1132465617 /nfs/dbraw/zinc/46/56/17/1132465617.db2.gz ZDHMVLJIGSWXLL-UHFFFAOYSA-N 0 1 293.370 3.833 20 0 CHADMN Cc1c(F)cc(C[N@H+]2CCCC(F)(F)CC2)cc1F ZINC001232419983 1132467156 /nfs/dbraw/zinc/46/71/56/1132467156.db2.gz MZGOHJHDTGXNLE-UHFFFAOYSA-N 0 1 275.289 3.894 20 0 CHADMN Cc1c(F)cc(CN2CCCC(F)(F)CC2)cc1F ZINC001232419983 1132467159 /nfs/dbraw/zinc/46/71/59/1132467159.db2.gz MZGOHJHDTGXNLE-UHFFFAOYSA-N 0 1 275.289 3.894 20 0 CHADMN CCN(Cc1n[nH]c2c1CCC2)Cc1ccc(Cl)cc1 ZINC001232429400 1132469162 /nfs/dbraw/zinc/46/91/62/1132469162.db2.gz OGBUCRMAUDQRQX-UHFFFAOYSA-N 0 1 289.810 3.574 20 0 CHADMN CCCCN(Cc1[nH]nc2c1CCC2)Cc1ccccc1 ZINC001232427476 1132469331 /nfs/dbraw/zinc/46/93/31/1132469331.db2.gz WHFFCYIQNKKBPU-UHFFFAOYSA-N 0 1 283.419 3.701 20 0 CHADMN Cc1c(F)cc(CN(C)Cc2cccs2)cc1F ZINC001232423727 1132469771 /nfs/dbraw/zinc/46/97/71/1132469771.db2.gz UXBZUGYIFWULSW-UHFFFAOYSA-N 0 1 267.344 3.967 20 0 CHADMN Cc1noc(C2(N[C@@H]3CCCC4(CCCCC4)C3)CC2)n1 ZINC001173344116 1132469963 /nfs/dbraw/zinc/46/99/63/1132469963.db2.gz LNBPNZLPMWRZPL-CQSZACIVSA-N 0 1 289.423 3.850 20 0 CHADMN C[C@]1(F)CCCCN(Cc2c[nH]c3nccc(Cl)c23)C1 ZINC001232455827 1132473692 /nfs/dbraw/zinc/47/36/92/1132473692.db2.gz HVVQFPPNYRYRJF-HNNXBMFYSA-N 0 1 295.789 3.930 20 0 CHADMN COc1ccc([C@H](CC(C)C)N[C@H]2CCn3ccnc32)cc1 ZINC000842871758 1132473874 /nfs/dbraw/zinc/47/38/74/1132473874.db2.gz SGLDXPCBCAUKOD-IRXDYDNUSA-N 0 1 299.418 3.714 20 0 CHADMN CCc1csc(CN(C)CCc2ccc(C)cc2)n1 ZINC001232475822 1132475238 /nfs/dbraw/zinc/47/52/38/1132475238.db2.gz RYSSRAZEPDQBED-UHFFFAOYSA-N 0 1 274.433 3.688 20 0 CHADMN Cc1cccc(F)c1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001232488930 1132479818 /nfs/dbraw/zinc/47/98/18/1132479818.db2.gz HMEKAPUZFNTQBC-TXEJJXNPSA-N 0 1 269.310 3.611 20 0 CHADMN COc1cc(Cl)ccc1CN1CCC12CCCC2 ZINC001232496150 1132479996 /nfs/dbraw/zinc/47/99/96/1132479996.db2.gz HIMIYUCWLCYCEW-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN Fc1ccccc1CN1CCC2(CC(F)(F)C2)CC1 ZINC001203345964 1132481176 /nfs/dbraw/zinc/48/11/76/1132481176.db2.gz GBMOEAHEFNECOR-UHFFFAOYSA-N 0 1 269.310 3.837 20 0 CHADMN COc1cc(Cl)ccc1CN(C)Cc1ccccc1 ZINC001232497374 1132481242 /nfs/dbraw/zinc/48/12/42/1132481242.db2.gz HXYDUKFYVINJKW-UHFFFAOYSA-N 0 1 275.779 3.981 20 0 CHADMN FCc1cccc(CN2CCC[C@@H]2c2cccs2)n1 ZINC001232536898 1132483503 /nfs/dbraw/zinc/48/35/03/1132483503.db2.gz TTXQRPXMLBLMNT-CQSZACIVSA-N 0 1 276.380 3.950 20 0 CHADMN Cc1cc(CN2C[C@@H]3C[C@@H]3C2)cc(C)c1Br ZINC001232518547 1132484219 /nfs/dbraw/zinc/48/42/19/1132484219.db2.gz HRVUFDBTESCRBC-BETUJISGSA-N 0 1 280.209 3.518 20 0 CHADMN C[C@@]1(F)CCCCN(C2Cc3cc(F)c(F)cc3C2)C1 ZINC001173480521 1132485775 /nfs/dbraw/zinc/48/57/75/1132485775.db2.gz FULFUUPUDHEYMV-MRXNPFEDSA-N 0 1 283.337 3.646 20 0 CHADMN COc1cc(C)c(C[N@H+]2CCn3cccc3[C@@H]2C)c(C)c1 ZINC001142941953 1132486880 /nfs/dbraw/zinc/48/68/80/1132486880.db2.gz NJHMXQPNIKDMOI-HNNXBMFYSA-N 0 1 284.403 3.690 20 0 CHADMN COc1cc(C)c(CN2CCn3cccc3[C@@H]2C)c(C)c1 ZINC001142941953 1132486885 /nfs/dbraw/zinc/48/68/85/1132486885.db2.gz NJHMXQPNIKDMOI-HNNXBMFYSA-N 0 1 284.403 3.690 20 0 CHADMN CCCCC1CCN(Cc2cc(OCC)ccn2)CC1 ZINC001232583235 1132489295 /nfs/dbraw/zinc/48/92/95/1132489295.db2.gz VHCLVGKGEZZKOC-UHFFFAOYSA-N 0 1 276.424 3.883 20 0 CHADMN CCOC(=O)c1ccc(CN(C)[C@@H](C)CC)c(Cl)c1 ZINC001232590052 1132490016 /nfs/dbraw/zinc/49/00/16/1132490016.db2.gz IDICRPOOONLYKM-NSHDSACASA-N 0 1 283.799 3.747 20 0 CHADMN CCCCN(C)Cc1ccc(C(=O)OCC)cc1Cl ZINC001232592465 1132491556 /nfs/dbraw/zinc/49/15/56/1132491556.db2.gz RMBZKJZRHBGJBH-UHFFFAOYSA-N 0 1 283.799 3.749 20 0 CHADMN CN(Cc1ccc(Cl)cc1)Cc1ccc2nccn2c1 ZINC001143028709 1132493806 /nfs/dbraw/zinc/49/38/06/1132493806.db2.gz HRGNOCHVDQIDMM-UHFFFAOYSA-N 0 1 285.778 3.620 20 0 CHADMN Fc1ccccc1[C@@H]1CCCN1Cc1ccc2nccn2c1 ZINC001143028689 1132494667 /nfs/dbraw/zinc/49/46/67/1132494667.db2.gz GYXLCYNLHHMBFE-KRWDZBQOSA-N 0 1 295.361 3.811 20 0 CHADMN CC(C)[C@H](N)c1noc(CCCCCc2cccs2)n1 ZINC000843150804 1132497933 /nfs/dbraw/zinc/49/79/33/1132497933.db2.gz VHIOEGQYMFEBKR-AWEZNQCLSA-N 0 1 293.436 3.742 20 0 CHADMN Cc1ccccc1C1(c2nc([C@H](N)C(C)C)no2)CCC1 ZINC000843150945 1132497978 /nfs/dbraw/zinc/49/79/78/1132497978.db2.gz CMNBAXQXRNJHBH-CQSZACIVSA-N 0 1 285.391 3.504 20 0 CHADMN CCCCc1ccc(Cc2nc([C@@H](N)C(C)C)no2)cc1 ZINC000843148038 1132498151 /nfs/dbraw/zinc/49/81/51/1132498151.db2.gz KZZFRGJEONHKHD-INIZCTEOSA-N 0 1 287.407 3.659 20 0 CHADMN CC[C@@H](Oc1ccccc1C)c1nc([C@@H](N)C(C)C)no1 ZINC000843151394 1132498448 /nfs/dbraw/zinc/49/84/48/1132498448.db2.gz YVWJGULWJWLDHP-OCCSQVGLSA-N 0 1 289.379 3.564 20 0 CHADMN CSc1ccc(Cl)c(-c2nc([C@H](N)C(C)C)no2)c1 ZINC000843150625 1132498470 /nfs/dbraw/zinc/49/84/70/1132498470.db2.gz KRDCXSGCIYYMPW-LLVKDONJSA-N 0 1 297.811 3.768 20 0 CHADMN Cc1cc2occ(-c3nc([C@H](N)C(C)C)no3)c2cc1C ZINC000843150607 1132498517 /nfs/dbraw/zinc/49/85/17/1132498517.db2.gz BGBYCFOEZUZXEU-CQSZACIVSA-N 0 1 285.347 3.755 20 0 CHADMN CCCN[C@H](C)c1nc(-c2ccc(OC(C)C)cc2)no1 ZINC000843180871 1132499839 /nfs/dbraw/zinc/49/98/39/1132499839.db2.gz TWXJOXCBSRHUKM-GFCCVEGCSA-N 0 1 289.379 3.584 20 0 CHADMN FC1CCN(Cc2cc3ccc(Cl)cc3[nH]2)CC1 ZINC001232727354 1132509748 /nfs/dbraw/zinc/50/97/48/1132509748.db2.gz XRLQPVFGGAYSNI-UHFFFAOYSA-N 0 1 266.747 3.755 20 0 CHADMN CC[N@@H+](Cc1cccnc1)Cc1ccc2ncsc2c1 ZINC001232742138 1132513351 /nfs/dbraw/zinc/51/33/51/1132513351.db2.gz VAXRZPIDRGYUFU-UHFFFAOYSA-N 0 1 283.400 3.713 20 0 CHADMN CCN(Cc1cccnc1)Cc1ccc2ncsc2c1 ZINC001232742138 1132513357 /nfs/dbraw/zinc/51/33/57/1132513357.db2.gz VAXRZPIDRGYUFU-UHFFFAOYSA-N 0 1 283.400 3.713 20 0 CHADMN Cc1cc(CN2CCC[C@H](F)CC2)c(F)cc1F ZINC001232784086 1132518669 /nfs/dbraw/zinc/51/86/69/1132518669.db2.gz HYYCPQQGEOPCLN-LBPRGKRZSA-N 0 1 257.299 3.597 20 0 CHADMN CN(Cc1ccc(CCO)cc1)Cc1ccccc1Cl ZINC001232777709 1132519250 /nfs/dbraw/zinc/51/92/50/1132519250.db2.gz OTEXQHZPQHBEBM-UHFFFAOYSA-N 0 1 289.806 3.507 20 0 CHADMN FC(F)c1ccc(CN2CC3(C2)C[C@H](F)CS3)cc1 ZINC001143252263 1132523654 /nfs/dbraw/zinc/52/36/54/1132523654.db2.gz XJGPTQTXLLMCOG-LBPRGKRZSA-N 0 1 287.350 3.654 20 0 CHADMN CCCn1cnc(CN(C)[C@H](CC)c2ccccc2)c1 ZINC001232803811 1132524495 /nfs/dbraw/zinc/52/44/95/1132524495.db2.gz RIJGERSLXZSJGX-QGZVFWFLSA-N 0 1 271.408 3.876 20 0 CHADMN Fc1cc(CN2CCC3(CC3)C2)cc(OC(F)(F)F)c1 ZINC001143256682 1132525928 /nfs/dbraw/zinc/52/59/28/1132525928.db2.gz RAXVPHUXZPMQHE-UHFFFAOYSA-N 0 1 289.272 3.710 20 0 CHADMN Fc1cc(CN2CCC(F)CC2)cc(OC(F)(F)F)c1 ZINC001143256319 1132526402 /nfs/dbraw/zinc/52/64/02/1132526402.db2.gz HWMPLZKIYPNJSK-UHFFFAOYSA-N 0 1 295.251 3.658 20 0 CHADMN CCOc1ccc(CN2C[C@@H](C)CC23CC3)c(F)c1F ZINC001143279973 1132528600 /nfs/dbraw/zinc/52/86/00/1132528600.db2.gz HIFOALSOVVCESF-NSHDSACASA-N 0 1 281.346 3.738 20 0 CHADMN CCOc1ccc(CN2CC[C@@H](CC)C2)c(F)c1F ZINC001143279486 1132528785 /nfs/dbraw/zinc/52/87/85/1132528785.db2.gz DXCWHMLTJGKDLH-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN CC[C@@H]1CCN(Cc2ccc(F)c(F)c2Cl)C1 ZINC001232879427 1132535419 /nfs/dbraw/zinc/53/54/19/1132535419.db2.gz QXOQJTZARMSKCM-SECBINFHSA-N 0 1 259.727 3.850 20 0 CHADMN CC1(C)CN(Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001232882824 1132536069 /nfs/dbraw/zinc/53/60/69/1132536069.db2.gz CERIQIDYAFJSMO-UHFFFAOYSA-N 0 1 270.351 3.730 20 0 CHADMN Cc1cc(CN2C[C@@H](C)C[C@H](C)C2)ncc1Br ZINC001232907900 1132541959 /nfs/dbraw/zinc/54/19/59/1132541959.db2.gz YVCXTDVQNNLBFB-QWRGUYRKSA-N 0 1 297.240 3.630 20 0 CHADMN Cc1cccc(Nc2ccc(CCN3CCOCC3)cc2)c1 ZINC001173808983 1132542457 /nfs/dbraw/zinc/54/24/57/1132542457.db2.gz SHHKBCSFACSDTH-UHFFFAOYSA-N 0 1 296.414 3.613 20 0 CHADMN [O-]c1c(F)ccc(C[N@H+]2CCCC3(CCCC3)C2)c1F ZINC001232931627 1132546674 /nfs/dbraw/zinc/54/66/74/1132546674.db2.gz PQZPLUVJTYGZAV-UHFFFAOYSA-N 0 1 281.346 3.827 20 0 CHADMN COc1ncc(CN(C)Cc2ccsc2)c2ccccc21 ZINC001232951833 1132550803 /nfs/dbraw/zinc/55/08/03/1132550803.db2.gz YMAVUFRMRJVZKM-UHFFFAOYSA-N 0 1 298.411 3.937 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(OC(F)F)nc2)c1 ZINC001232953593 1132550942 /nfs/dbraw/zinc/55/09/42/1132550942.db2.gz UQLACTFCAJFJLO-UHFFFAOYSA-N 0 1 292.329 3.623 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@]3(C)CC=C(C)CC3)cc2[nH]1 ZINC001150107086 1132551508 /nfs/dbraw/zinc/55/15/08/1132551508.db2.gz VSRBWHNDVVWVIU-KRWDZBQOSA-N 0 1 283.375 3.946 20 0 CHADMN Oc1ccccc1Nc1ccc(Cl)c(O)c1F ZINC001214801237 1132553720 /nfs/dbraw/zinc/55/37/20/1132553720.db2.gz FVZAHIGZMJORAX-UHFFFAOYSA-N 0 1 253.660 3.634 20 0 CHADMN CC1(C)CCCN1Cc1cc(O)cc(Br)c1 ZINC001232995038 1132561070 /nfs/dbraw/zinc/56/10/70/1132561070.db2.gz ZKXGMFHNEHNYGU-UHFFFAOYSA-N 0 1 284.197 3.529 20 0 CHADMN COc1cc(Cl)cc(F)c1CN(C)CC1CCC1 ZINC001233004435 1132561317 /nfs/dbraw/zinc/56/13/17/1132561317.db2.gz QFSMPIQDIDVXEU-UHFFFAOYSA-N 0 1 271.763 3.720 20 0 CHADMN Cc1cc(C)c(CN2CC[C@@H]2c2ccccc2)cn1 ZINC001233009923 1132561736 /nfs/dbraw/zinc/56/17/36/1132561736.db2.gz PFSSBUSXGKHOSU-QGZVFWFLSA-N 0 1 252.361 3.645 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCC[C@](C)(F)CC1 ZINC001233017216 1132561997 /nfs/dbraw/zinc/56/19/97/1132561997.db2.gz CYIZHFVBEWVSAC-HNNXBMFYSA-N 0 1 299.411 3.639 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cnc(C)cc2C)cn1 ZINC001233009675 1132563228 /nfs/dbraw/zinc/56/32/28/1132563228.db2.gz JAIBBUHBXCFODB-GOSISDBHSA-N 0 1 281.403 3.739 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1cnc(C)cc1C ZINC001233009716 1132563568 /nfs/dbraw/zinc/56/35/68/1132563568.db2.gz KQGZRGLXMWTWLY-OAHLLOKOSA-N 0 1 284.403 3.900 20 0 CHADMN CCCN(Cc1ccccc1)Cc1cccc(O)c1F ZINC001233052105 1132567886 /nfs/dbraw/zinc/56/78/86/1132567886.db2.gz GDMKBUWORKVDSN-UHFFFAOYSA-N 0 1 273.351 3.944 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)c1F ZINC001233057689 1132570515 /nfs/dbraw/zinc/57/05/15/1132570515.db2.gz MXXGJDVRKVHETD-CQSZACIVSA-N 0 1 277.383 3.934 20 0 CHADMN [O-]c1cccc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1F ZINC001233057689 1132570519 /nfs/dbraw/zinc/57/05/19/1132570519.db2.gz MXXGJDVRKVHETD-CQSZACIVSA-N 0 1 277.383 3.934 20 0 CHADMN CCOc1ccc(C)cc1NC(=O)c1cc2cccnc2[nH]1 ZINC001151547639 1132571015 /nfs/dbraw/zinc/57/10/15/1132571015.db2.gz SWXPZGQFMJDECS-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN Cc1cccc2c1CCN(Cc1[nH]nc3cc(F)ccc31)C2 ZINC001233119402 1132572552 /nfs/dbraw/zinc/57/25/52/1132572552.db2.gz JETNFCKJTBKBNG-UHFFFAOYSA-N 0 1 295.361 3.569 20 0 CHADMN Cc1cccc2c1CCN(Cc1n[nH]c3cc(F)ccc31)C2 ZINC001233119402 1132572554 /nfs/dbraw/zinc/57/25/54/1132572554.db2.gz JETNFCKJTBKBNG-UHFFFAOYSA-N 0 1 295.361 3.569 20 0 CHADMN Cc1cc(CN2CCSC[C@@H]2c2ccccc2)cnc1C ZINC001233161668 1132573876 /nfs/dbraw/zinc/57/38/76/1132573876.db2.gz HIKARCKLZUICRM-GOSISDBHSA-N 0 1 298.455 3.989 20 0 CHADMN CCOc1ncc(Cl)cc1CN1C[C@@H]2CCCC[C@H]2C1 ZINC001233167439 1132576015 /nfs/dbraw/zinc/57/60/15/1132576015.db2.gz OIDNLIRBDGPNEQ-STQMWFEESA-N 0 1 294.826 3.756 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CCC[C@H](C)CC1 ZINC001233166605 1132577805 /nfs/dbraw/zinc/57/78/05/1132577805.db2.gz DYOKVQBNDIMRTB-LBPRGKRZSA-N 0 1 282.815 3.756 20 0 CHADMN Cc1cccc(-c2ccc(CN3CC[C@@](F)(CO)C3)cc2)c1 ZINC001233223171 1132582117 /nfs/dbraw/zinc/58/21/17/1132582117.db2.gz HTNKRAYDMZHBLK-IBGZPJMESA-N 0 1 299.389 3.568 20 0 CHADMN CC(C)[C@H]1CCCCCN1C(=O)c1c(O)cccc1F ZINC001152612547 1132584671 /nfs/dbraw/zinc/58/46/71/1132584671.db2.gz QMOCVZIPWDQXKR-CYBMUJFWSA-N 0 1 279.355 3.572 20 0 CHADMN Cc1ccc(Cl)cc1CN1CC(c2cccnc2)C1 ZINC001233250772 1132587876 /nfs/dbraw/zinc/58/78/76/1132587876.db2.gz ZAIXQXKOJUUPLB-UHFFFAOYSA-N 0 1 272.779 3.643 20 0 CHADMN CC[C@@H](CC(=O)Nc1cc(C(C)=O)ccc1O)C(C)(C)C ZINC001152938012 1132588287 /nfs/dbraw/zinc/58/82/87/1132588287.db2.gz BRUZGOJZCBHIPK-ZDUSSCGKSA-N 0 1 291.391 3.996 20 0 CHADMN Cc1ccc2c(c1)C[N@H+](Cc1ccc([S-])cc1)CC2 ZINC001233258737 1132590426 /nfs/dbraw/zinc/59/04/26/1132590426.db2.gz RHWBTLJIHZZZFJ-UHFFFAOYSA-N 0 1 269.413 3.842 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc([S-])cc2)CCC1(F)F ZINC001233258469 1132590571 /nfs/dbraw/zinc/59/05/71/1132590571.db2.gz GFMHJOZIQWWBPP-NSHDSACASA-N 0 1 271.376 3.843 20 0 CHADMN Cc1csc(NC(=O)c2cnc3[nH]ccc(Cl)c2-3)c1 ZINC001153095364 1132590810 /nfs/dbraw/zinc/59/08/10/1132590810.db2.gz UDLZSAWVODGNCQ-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN Cc1ccn2cc(C[N@H+](C)Cc3ccc([S-])cc3)nc2c1 ZINC001233263567 1132593352 /nfs/dbraw/zinc/59/33/52/1132593352.db2.gz YLMGGIFCWBMYBK-UHFFFAOYSA-N 0 1 297.427 3.563 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cc(C)ns1 ZINC001233312743 1132596930 /nfs/dbraw/zinc/59/69/30/1132596930.db2.gz JFXUWDIZVCZVHQ-MRXNPFEDSA-N 0 1 272.417 3.961 20 0 CHADMN CCCN(Cc1cc(C)ns1)Cc1ccccc1 ZINC001233311816 1132598224 /nfs/dbraw/zinc/59/82/24/1132598224.db2.gz KJMQVAAQHYDIGW-UHFFFAOYSA-N 0 1 260.406 3.864 20 0 CHADMN COc1cc(F)c(CN2C3CCCC2CCC3)cc1F ZINC001233344686 1132605974 /nfs/dbraw/zinc/60/59/74/1132605974.db2.gz NSFMWPCZCCCGRS-UHFFFAOYSA-N 0 1 281.346 3.880 20 0 CHADMN COc1cc(F)c(CN2CC[C@@H]3CCC[C@@H]3C2)cc1F ZINC001233341209 1132606646 /nfs/dbraw/zinc/60/66/46/1132606646.db2.gz HYRFXAQHPUXIND-NWDGAFQWSA-N 0 1 281.346 3.595 20 0 CHADMN C[C@H]1C[N@H+](Cc2cnc3cccc(Cl)n23)CCC[C@@H]1C ZINC001233356665 1132609649 /nfs/dbraw/zinc/60/96/49/1132609649.db2.gz UTSBRYGHRXVITB-STQMWFEESA-N 0 1 291.826 3.856 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cnc3cccc(Cl)n23)[C@@H]1C ZINC001233358416 1132610612 /nfs/dbraw/zinc/61/06/12/1132610612.db2.gz GMKHONPNNDMWKX-VXGBXAGGSA-N 0 1 277.799 3.608 20 0 CHADMN C[C@@H]1CCCN(Cc2cnc3cccc(Cl)n23)[C@@H]1C ZINC001233358416 1132610615 /nfs/dbraw/zinc/61/06/15/1132610615.db2.gz GMKHONPNNDMWKX-VXGBXAGGSA-N 0 1 277.799 3.608 20 0 CHADMN CCCN(CC)Cc1cc(Br)ncc1Cl ZINC001233425004 1132620066 /nfs/dbraw/zinc/62/00/66/1132620066.db2.gz IXQWCVFQDQYPCE-UHFFFAOYSA-N 0 1 291.620 3.729 20 0 CHADMN Nc1cccc(CN2CCC[C@@H]2c2cccc(Cl)c2)n1 ZINC001233372322 1132611941 /nfs/dbraw/zinc/61/19/41/1132611941.db2.gz IUQZSQLRVAQPRI-OAHLLOKOSA-N 0 1 287.794 3.654 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1ccc(N)cc1Cl)CC2 ZINC001233373440 1132612045 /nfs/dbraw/zinc/61/20/45/1132612045.db2.gz HYOGCZAZDJSHGY-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN Nc1cc(F)c(F)cc1CN1CCC2(CCCC2)CC1 ZINC001233379255 1132614288 /nfs/dbraw/zinc/61/42/88/1132614288.db2.gz YNNNJMQESNDZPW-UHFFFAOYSA-N 0 1 280.362 3.703 20 0 CHADMN Fc1c(Cl)cc(Nc2ccncc2)cc1Cl ZINC001173883598 1132625291 /nfs/dbraw/zinc/62/52/91/1132625291.db2.gz UUEGHAYNZNFQSI-UHFFFAOYSA-N 0 1 257.095 3.693 20 0 CHADMN CC[C@H]1CCCN(Cc2ccc(OC)c(O)c2Cl)C1 ZINC001233401026 1132618377 /nfs/dbraw/zinc/61/83/77/1132618377.db2.gz JILXZPDRBBNSMA-NSHDSACASA-N 0 1 283.799 3.676 20 0 CHADMN COc1ccnc(N[C@H](c2ccccc2)C2CC2)c1 ZINC001154642691 1132619498 /nfs/dbraw/zinc/61/94/98/1132619498.db2.gz QVAABVVQEQSZOL-MRXNPFEDSA-N 0 1 254.333 3.653 20 0 CHADMN CCC1CCN(Cc2ccn(C(=O)OC(C)(C)C)c2)CC1 ZINC001233429682 1132621368 /nfs/dbraw/zinc/62/13/68/1132621368.db2.gz JQCJXUCFGJJCRI-UHFFFAOYSA-N 0 1 292.423 3.893 20 0 CHADMN C[C@@H]1CCCCN(Cc2cn3cccc(Cl)c3n2)C1 ZINC001233420738 1132621703 /nfs/dbraw/zinc/62/17/03/1132621703.db2.gz WNVAAMSLUOYHDJ-GFCCVEGCSA-N 0 1 277.799 3.610 20 0 CHADMN Clc1ccc(-c2cc(Nc3ccncc3)on2)cc1 ZINC001173879385 1132621799 /nfs/dbraw/zinc/62/17/99/1132621799.db2.gz MKNACFPGLHJAJJ-UHFFFAOYSA-N 0 1 271.707 3.556 20 0 CHADMN FC(F)C1CN(Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001233446044 1132622594 /nfs/dbraw/zinc/62/25/94/1132622594.db2.gz GAIZBGWSOHSVLP-UHFFFAOYSA-N 0 1 282.721 3.585 20 0 CHADMN COc1ccc(-c2ccc(Nc3ccncc3)cc2)cc1 ZINC001173883239 1132623073 /nfs/dbraw/zinc/62/30/73/1132623073.db2.gz LHZOMPQBKXNEKL-UHFFFAOYSA-N 0 1 276.339 3.923 20 0 CHADMN Fc1c(Cl)cc(Nc2ccncc2)c(F)c1Cl ZINC001173883512 1132623746 /nfs/dbraw/zinc/62/37/46/1132623746.db2.gz RQRZNMPRFUZJQY-UHFFFAOYSA-N 0 1 275.085 3.832 20 0 CHADMN FC(F)(F)c1ccc(Nc2ccncc2)c2cccnc21 ZINC001173884068 1132625242 /nfs/dbraw/zinc/62/52/42/1132625242.db2.gz FUJJBWGAUOBLLR-UHFFFAOYSA-N 0 1 289.260 3.814 20 0 CHADMN CCc1cc(Br)cc(Nc2ccncc2)c1 ZINC001173884221 1132625387 /nfs/dbraw/zinc/62/53/87/1132625387.db2.gz CMTSJDJCOAMSLS-UHFFFAOYSA-N 0 1 277.165 3.572 20 0 CHADMN Clc1cncc(CN(Cc2ccccc2)C2CCC2)n1 ZINC001233450741 1132625909 /nfs/dbraw/zinc/62/59/09/1132625909.db2.gz IEPUUPIVTGVOHG-UHFFFAOYSA-N 0 1 287.794 3.685 20 0 CHADMN CCc1ccccc1Nc1cccc(N2CCN(C)CC2)c1 ZINC001173969520 1132639140 /nfs/dbraw/zinc/63/91/40/1132639140.db2.gz KNJLNSLGWITCKF-UHFFFAOYSA-N 0 1 295.430 3.744 20 0 CHADMN Cc1cccc(Nc2cccc(N3CCN(C)CC3)c2)c1C ZINC001173952663 1132660079 /nfs/dbraw/zinc/66/00/79/1132660079.db2.gz AIOCUGWABFEDKE-UHFFFAOYSA-N 0 1 295.430 3.799 20 0 CHADMN Cc1cc(CN2CCO[C@@H](c3ccccc3)C2)sc1C ZINC001233685252 1132663815 /nfs/dbraw/zinc/66/38/15/1132663815.db2.gz PEVHMOAIXNFBDG-QGZVFWFLSA-N 0 1 287.428 3.938 20 0 CHADMN CCOc1cccc(CCNc2ncc(C)cc2C)c1 ZINC001155871455 1132667976 /nfs/dbraw/zinc/66/79/76/1132667976.db2.gz WQPMCEVIIZDOAN-UHFFFAOYSA-N 0 1 270.376 3.752 20 0 CHADMN COc1cc(Br)cc(OC)c1N=C1CCCC1 ZINC001174000416 1132670648 /nfs/dbraw/zinc/67/06/48/1132670648.db2.gz WERCZHVLWLGSDT-UHFFFAOYSA-N 0 1 298.180 3.946 20 0 CHADMN Cc1ccc(NCCCOc2ccccc2C)nc1C ZINC001156034135 1132678895 /nfs/dbraw/zinc/67/88/95/1132678895.db2.gz HNPYRNWRGSPXQR-UHFFFAOYSA-N 0 1 270.376 3.888 20 0 CHADMN COc1ccc(CCCNc2ncc(C)cc2C)cc1 ZINC001156167435 1132684529 /nfs/dbraw/zinc/68/45/29/1132684529.db2.gz YQBSRHDHFQZLAB-UHFFFAOYSA-N 0 1 270.376 3.752 20 0 CHADMN COc1ccc2cc(Nc3c(C)ncn3C)ccc2c1 ZINC001174030783 1132700213 /nfs/dbraw/zinc/70/02/13/1132700213.db2.gz OPQCLSJEXMBCDC-UHFFFAOYSA-N 0 1 267.332 3.634 20 0 CHADMN Nc1cc2ccccc2n1-c1ccnc2ccccc21 ZINC001174038393 1132702129 /nfs/dbraw/zinc/70/21/29/1132702129.db2.gz DDOGGSXIXNYSOF-UHFFFAOYSA-N 0 1 259.312 3.761 20 0 CHADMN Cc1ccc(Nc2ccnn2-c2ccncc2)c(Cl)c1 ZINC001174045207 1132707499 /nfs/dbraw/zinc/70/74/99/1132707499.db2.gz XKDYUFFXOJJBSR-UHFFFAOYSA-N 0 1 284.750 3.973 20 0 CHADMN COc1ccnc(Nc2ccc(OC(C)C)cc2)c1 ZINC001174108692 1132723666 /nfs/dbraw/zinc/72/36/66/1132723666.db2.gz LGBQDODWXBQPBQ-UHFFFAOYSA-N 0 1 258.321 3.621 20 0 CHADMN N=C(N)N(c1ccc(F)cc1)c1ccc2cccc(F)c2n1 ZINC001157229645 1132724683 /nfs/dbraw/zinc/72/46/83/1132724683.db2.gz KDIAPLHYCISGSD-UHFFFAOYSA-N 0 1 298.296 3.545 20 0 CHADMN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc3cncn3c2)C1(C)C ZINC001157388460 1132730217 /nfs/dbraw/zinc/73/02/17/1132730217.db2.gz FARBNHUAWPROHS-HUUCEWRRSA-N 0 1 283.375 3.511 20 0 CHADMN O=C(CCCCc1ccccc1)Nc1ccc2cncn2c1 ZINC001157404694 1132731445 /nfs/dbraw/zinc/73/14/45/1132731445.db2.gz ARQHCNYXICQOLD-UHFFFAOYSA-N 0 1 293.370 3.686 20 0 CHADMN CCCCCC[C@@H](C)C(=O)Nc1ccc2cncn2c1 ZINC001157395695 1132731506 /nfs/dbraw/zinc/73/15/06/1132731506.db2.gz AIPXGBBSABCZKZ-CYBMUJFWSA-N 0 1 273.380 3.879 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N1CCN(CC)C[C@H]1C ZINC001157547510 1132733773 /nfs/dbraw/zinc/73/37/73/1132733773.db2.gz ASILGNDWMIJFCP-CVEARBPZSA-N 0 1 282.472 3.536 20 0 CHADMN CCCCCc1cc(C(=O)N2C[C@H](CC)CC[C@@H]2C)n[nH]1 ZINC001157848977 1132748518 /nfs/dbraw/zinc/74/85/18/1132748518.db2.gz HBWNREQCIPRYHP-UONOGXRCSA-N 0 1 291.439 3.793 20 0 CHADMN Cc1ccc(C(C)(C)Nc2ncc(C)cc2N)cc1 ZINC001157978908 1132759149 /nfs/dbraw/zinc/75/91/49/1132759149.db2.gz CQCIAVYJARVMJT-UHFFFAOYSA-N 0 1 255.365 3.628 20 0 CHADMN Cc1ccc(Nc2ccc3nccn3c2)cc1OC(F)F ZINC001174280415 1132769728 /nfs/dbraw/zinc/76/97/28/1132769728.db2.gz VIUJXMZQLPDIDG-UHFFFAOYSA-N 0 1 289.285 3.988 20 0 CHADMN c1cn2cc(Nc3ccc(C4CCOCC4)cc3)ccc2n1 ZINC001174279356 1132769855 /nfs/dbraw/zinc/76/98/55/1132769855.db2.gz VFNJYYVTPMRQGC-UHFFFAOYSA-N 0 1 293.370 3.972 20 0 CHADMN Cc1c(Cl)cc(N)cc1Nc1ccc2nccn2c1 ZINC001174279542 1132770351 /nfs/dbraw/zinc/77/03/51/1132770351.db2.gz FFVUNKZHFJIHBA-UHFFFAOYSA-N 0 1 272.739 3.622 20 0 CHADMN COc1ccc2ccc(Nc3ccc4nccn4c3)cc2n1 ZINC001174280023 1132770419 /nfs/dbraw/zinc/77/04/19/1132770419.db2.gz OJZGNCYPPNTSGC-UHFFFAOYSA-N 0 1 290.326 3.635 20 0 CHADMN Fc1cncc(Nc2ccncc2Oc2ccccc2)c1 ZINC001174289483 1132773387 /nfs/dbraw/zinc/77/33/87/1132773387.db2.gz WYDRINYHUAESSZ-UHFFFAOYSA-N 0 1 281.290 3.574 20 0 CHADMN C[C@H]1C[C@H](Nc2nc(Cl)nc3[nH]cnc32)c2ccccc21 ZINC001158469512 1132777850 /nfs/dbraw/zinc/77/78/50/1132777850.db2.gz UARSACQBCJEBGM-KWQFWETISA-N 0 1 299.765 3.667 20 0 CHADMN Cc1cnc(NCc2c(=O)[nH]c(C)c3c2CCCC3)cc1C ZINC001158494269 1132781176 /nfs/dbraw/zinc/78/11/76/1132781176.db2.gz GKGUMALEBIGIQD-UHFFFAOYSA-N 0 1 297.402 3.598 20 0 CHADMN FC(F)Oc1ccc(Nc2ccc3nccn3c2)cc1 ZINC001174276932 1132785247 /nfs/dbraw/zinc/78/52/47/1132785247.db2.gz XTZBNXZRWDRICS-UHFFFAOYSA-N 0 1 275.258 3.679 20 0 CHADMN c1cn2cc(Nc3ccccc3-c3cnco3)ccc2n1 ZINC001174277619 1132785294 /nfs/dbraw/zinc/78/52/94/1132785294.db2.gz JFPHBBPVDVDFMS-UHFFFAOYSA-N 0 1 276.299 3.733 20 0 CHADMN Cn1ccc2c1cccc2Nc1ccc2nccn2c1 ZINC001174277937 1132785361 /nfs/dbraw/zinc/78/53/61/1132785361.db2.gz OHLFHVCNVDPBIX-UHFFFAOYSA-N 0 1 262.316 3.570 20 0 CHADMN c1cn2cc(Nc3ccc(OCC4CC4)cc3)ccc2n1 ZINC001174277343 1132785433 /nfs/dbraw/zinc/78/54/33/1132785433.db2.gz BYFZQYHIBFPEPK-UHFFFAOYSA-N 0 1 279.343 3.867 20 0 CHADMN Oc1ccc2ccc(Nc3ccc4nccn4c3)cc2c1 ZINC001174278383 1132785471 /nfs/dbraw/zinc/78/54/71/1132785471.db2.gz BYESJRPWWOFBLH-UHFFFAOYSA-N 0 1 275.311 3.937 20 0 CHADMN c1cn2cc(Nc3ccc4ccncc4c3)ccc2n1 ZINC001174278362 1132785776 /nfs/dbraw/zinc/78/57/76/1132785776.db2.gz BELCXBVLYSUVIG-UHFFFAOYSA-N 0 1 260.300 3.626 20 0 CHADMN Cc1ccc2c(cccc2Nc2ccc3nccn3c2)n1 ZINC001174277369 1132786152 /nfs/dbraw/zinc/78/61/52/1132786152.db2.gz CXOPIBPVSLEMML-UHFFFAOYSA-N 0 1 274.327 3.935 20 0 CHADMN Cn1cncc1Nc1ccccc1OCc1ccc(F)cc1 ZINC001174308413 1132788771 /nfs/dbraw/zinc/78/87/71/1132788771.db2.gz XRABFLRRPHQDCK-UHFFFAOYSA-N 0 1 297.333 3.882 20 0 CHADMN Cn1nc(-c2ccccc2)cc1Nc1cccc2[nH]ncc21 ZINC001174342769 1132799162 /nfs/dbraw/zinc/79/91/62/1132799162.db2.gz MXDSPYGBYZZPDE-UHFFFAOYSA-N 0 1 289.342 3.707 20 0 CHADMN CCOC(=O)c1ccsc1Nc1cccc2[nH]ncc21 ZINC001174341997 1132799501 /nfs/dbraw/zinc/79/95/01/1132799501.db2.gz FFEJGKQNMFRSKY-UHFFFAOYSA-N 0 1 287.344 3.545 20 0 CHADMN c1n[nH]c2cccc(Nc3nc4ccccc4s3)c12 ZINC001174341989 1132799847 /nfs/dbraw/zinc/79/98/47/1132799847.db2.gz DZBPESMNLIMIOK-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN c1cc(Nc2cccc3[nH]ncc32)n(Cc2ccccc2)n1 ZINC001174342080 1132799978 /nfs/dbraw/zinc/79/99/78/1132799978.db2.gz DQNCNBNOWMLPCK-UHFFFAOYSA-N 0 1 289.342 3.551 20 0 CHADMN Cc1ncc(Cl)cc1Nc1cccc2[nH]ncc21 ZINC001174342509 1132800101 /nfs/dbraw/zinc/80/01/01/1132800101.db2.gz AWHMEGKKLHEECT-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1c(Cl)nccc1Nc1cccc2[nH]ncc21 ZINC001174342935 1132800346 /nfs/dbraw/zinc/80/03/46/1132800346.db2.gz JIHGEWWGPALKQL-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN CC(C)c1cncc(Nc2cccc3[nH]ncc32)c1 ZINC001174344441 1132800741 /nfs/dbraw/zinc/80/07/41/1132800741.db2.gz ASEZFQGXVHRBON-UHFFFAOYSA-N 0 1 252.321 3.825 20 0 CHADMN CC1(C)Oc2ccc(Nc3cccc4[nH]ncc43)cc2O1 ZINC001174344258 1132801084 /nfs/dbraw/zinc/80/10/84/1132801084.db2.gz RFRRWPMOQKHSKA-UHFFFAOYSA-N 0 1 281.315 3.814 20 0 CHADMN COC(=O)[C@@H](C)c1ccc(Nc2cccc3[nH]ncc32)cc1 ZINC001174346608 1132806249 /nfs/dbraw/zinc/80/62/49/1132806249.db2.gz AOASGDUSIVSDTQ-NSHDSACASA-N 0 1 295.342 3.583 20 0 CHADMN O=C(c1ccc(Nc2cccc3[nH]ncc32)cc1)C1CC1 ZINC001174347018 1132806407 /nfs/dbraw/zinc/80/64/07/1132806407.db2.gz GLBYDPXMIWDBLD-UHFFFAOYSA-N 0 1 277.327 3.899 20 0 CHADMN CNc1cccc(C)c1Nc1cccc2[nH]ncc21 ZINC001174348296 1132806458 /nfs/dbraw/zinc/80/64/58/1132806458.db2.gz WOJUXQNSKGGSOA-UHFFFAOYSA-N 0 1 252.321 3.657 20 0 CHADMN CCCCC[C@H](C)CC(=O)Nc1c2nn[nH]c2ccc1C ZINC001159305107 1132826533 /nfs/dbraw/zinc/82/65/33/1132826533.db2.gz WOBBQJUNQKJYDN-NSHDSACASA-N 0 1 288.395 3.811 20 0 CHADMN Fc1ccc(Nc2cc([C@@H]3CCCCN3)no2)cc1F ZINC001159307529 1132827752 /nfs/dbraw/zinc/82/77/52/1132827752.db2.gz AORYGVJHMFHXAF-LBPRGKRZSA-N 0 1 279.290 3.511 20 0 CHADMN Fc1cc(F)c(Nc2cc([C@@H]3CCCCN3)no2)c(F)c1 ZINC001159309185 1132828563 /nfs/dbraw/zinc/82/85/63/1132828563.db2.gz QORHRCNAEZGNFH-NSHDSACASA-N 0 1 297.280 3.650 20 0 CHADMN Cn1c(Nc2cc([C@H]3CCCCN3)no2)cc2ccccc21 ZINC001159312376 1132829598 /nfs/dbraw/zinc/82/95/98/1132829598.db2.gz AEPYPQVSPIPOJQ-CYBMUJFWSA-N 0 1 296.374 3.725 20 0 CHADMN Oc1ccc(Nc2cc([C@@H]3CCCCN3)no2)c(Cl)c1 ZINC001159311729 1132830185 /nfs/dbraw/zinc/83/01/85/1132830185.db2.gz PDSOTNYUWKJQLK-LBPRGKRZSA-N 0 1 293.754 3.592 20 0 CHADMN CC1(C)CCC(=Nc2cc([C@H]3CCCCN3)no2)CC1 ZINC001159313223 1132830436 /nfs/dbraw/zinc/83/04/36/1132830436.db2.gz KBFJDLORCRTFSY-CYBMUJFWSA-N 0 1 275.396 3.995 20 0 CHADMN c1nc(C2CC2)c(Nc2ccc3cn[nH]c3c2)s1 ZINC001174498982 1132863805 /nfs/dbraw/zinc/86/38/05/1132863805.db2.gz PEDPACZMZDOZTA-UHFFFAOYSA-N 0 1 256.334 3.640 20 0 CHADMN c1coc(-c2cc(Nc3ccc4cn[nH]c4c3)on2)c1 ZINC001174498760 1132864274 /nfs/dbraw/zinc/86/42/74/1132864274.db2.gz RIODIYXRJCJADL-UHFFFAOYSA-N 0 1 266.260 3.555 20 0 CHADMN FC(F)(F)Oc1ccnc(Nc2ccc3cn[nH]c3c2)c1 ZINC001174498465 1132864434 /nfs/dbraw/zinc/86/44/34/1132864434.db2.gz FTPJDJNQKMJYHP-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN c1[nH]nc2cc(Nc3ccc(C4CC4)nc3)ccc12 ZINC001174498886 1132864616 /nfs/dbraw/zinc/86/46/16/1132864616.db2.gz UVCLRMGFUZTXQR-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN CCOc1c(F)cccc1Nc1cccc2[nH]ncc21 ZINC001159574721 1132864703 /nfs/dbraw/zinc/86/47/03/1132864703.db2.gz KYKFRRAOVXAXJZ-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN c1n[nH]c2cc(Nc3cccc(C4CCC4)n3)ccc12 ZINC001174498309 1132864848 /nfs/dbraw/zinc/86/48/48/1132864848.db2.gz BSCDJJVFOZFEJA-UHFFFAOYSA-N 0 1 264.332 3.969 20 0 CHADMN CCOC(=O)c1ccsc1Nc1ccc2cn[nH]c2c1 ZINC001174499481 1132865568 /nfs/dbraw/zinc/86/55/68/1132865568.db2.gz RJPBILQHEYELMD-UHFFFAOYSA-N 0 1 287.344 3.545 20 0 CHADMN Fc1cccc2ncc(Nc3ccc4c[nH]nc4c3)cc12 ZINC001174499544 1132866684 /nfs/dbraw/zinc/86/66/84/1132866684.db2.gz YPYRZNCMWZUZTJ-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN COC(=O)c1c(C)cc(Nc2cccc3[nH]ncc32)cc1C ZINC001159575314 1132867085 /nfs/dbraw/zinc/86/70/85/1132867085.db2.gz WIIGJRCFVZCVCR-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1sccc1Nc1ccc(N2CCN(C)CC2)cc1 ZINC001174460303 1132870327 /nfs/dbraw/zinc/87/03/27/1132870327.db2.gz YNDIPFTUYVIKPH-UHFFFAOYSA-N 0 1 287.432 3.552 20 0 CHADMN CCC(=O)Nc1cccc(Nc2ccc3c[nH]nc3c2)c1 ZINC001174499907 1132877179 /nfs/dbraw/zinc/87/71/79/1132877179.db2.gz FTUCVLCMBKRPLG-UHFFFAOYSA-N 0 1 280.331 3.655 20 0 CHADMN CN(C)c1cc(F)cc(Nc2ccc3c[nH]nc3c2)c1 ZINC001159662960 1132887913 /nfs/dbraw/zinc/88/79/13/1132887913.db2.gz NICDLNGNYQJUPR-UHFFFAOYSA-N 0 1 270.311 3.512 20 0 CHADMN CCOc1c(F)c(F)ccc1Nc1ccc2c[nH]nc2c1 ZINC001159662940 1132888017 /nfs/dbraw/zinc/88/80/17/1132888017.db2.gz MGDPGISDKUGHPC-UHFFFAOYSA-N 0 1 289.285 3.983 20 0 CHADMN COc1cc(Nc2ccc(N3CCCC3)cc2)ncc1C ZINC001174527156 1132889236 /nfs/dbraw/zinc/88/92/36/1132889236.db2.gz RNUQKIAJBGORCN-UHFFFAOYSA-N 0 1 283.375 3.742 20 0 CHADMN COc1ccc(Cl)cc1Nc1ccc2c[nH]nc2c1 ZINC001174500547 1132901613 /nfs/dbraw/zinc/90/16/13/1132901613.db2.gz RKOISHHYLCZZBP-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN CC(=O)c1ccc(F)cc1Nc1ccc2c[nH]nc2c1 ZINC001174501388 1132902527 /nfs/dbraw/zinc/90/25/27/1132902527.db2.gz QPSVASUIUHQZPP-UHFFFAOYSA-N 0 1 269.279 3.648 20 0 CHADMN Cc1cc(Nc2ccc3c[nH]nc3c2)c(C)cc1N ZINC001174501329 1132902710 /nfs/dbraw/zinc/90/27/10/1132902710.db2.gz NGVWSZSHTJVDRX-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN O[C@@H]1CCCc2ccc(Nc3ccc4c[nH]nc4c3)cc21 ZINC001174501444 1132903245 /nfs/dbraw/zinc/90/32/45/1132903245.db2.gz SXZRCAWSIINDPH-QGZVFWFLSA-N 0 1 279.343 3.676 20 0 CHADMN CC(=O)c1ccccc1Nc1ccc2c[nH]nc2c1 ZINC001174502141 1132904304 /nfs/dbraw/zinc/90/43/04/1132904304.db2.gz UOQIFMCAPHQASQ-UHFFFAOYSA-N 0 1 251.289 3.509 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2nc(N)sc2c1 ZINC001159820613 1132911584 /nfs/dbraw/zinc/91/15/84/1132911584.db2.gz IZEKSDSSKWIYFD-UHFFFAOYSA-N 0 1 295.371 3.807 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(N)c(Cl)c1 ZINC001160207470 1132946216 /nfs/dbraw/zinc/94/62/16/1132946216.db2.gz XVEJOXXLHFGVHQ-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cn1cncc1Nc1ccc(OCc2ccccc2)cc1 ZINC001174690332 1132947279 /nfs/dbraw/zinc/94/72/79/1132947279.db2.gz SUSKPQDORJJESI-UHFFFAOYSA-N 0 1 279.343 3.743 20 0 CHADMN CCOc1ccc(Nc2ccc3nc[nH]c3c2)c(F)c1F ZINC001160224551 1132949563 /nfs/dbraw/zinc/94/95/63/1132949563.db2.gz SPLKEIJHEZKONB-UHFFFAOYSA-N 0 1 289.285 3.983 20 0 CHADMN CSc1ccc(Nc2ccc3nc[nH]c3c2)c(C)n1 ZINC001160224485 1132949878 /nfs/dbraw/zinc/94/98/78/1132949878.db2.gz REUFQHAFGIMTGD-UHFFFAOYSA-N 0 1 270.361 3.732 20 0 CHADMN Cc1cccc2ncc(Nc3cccc(F)c3C)n21 ZINC001174667637 1132957296 /nfs/dbraw/zinc/95/72/96/1132957296.db2.gz UGUHOOFLUASJSL-UHFFFAOYSA-N 0 1 255.296 3.834 20 0 CHADMN Clc1cc2[nH]ncc2c(Nc2cccc3c2CCN3)c1 ZINC001160279803 1132957402 /nfs/dbraw/zinc/95/74/02/1132957402.db2.gz LATGSDHQUHKWND-UHFFFAOYSA-N 0 1 284.750 3.928 20 0 CHADMN CCCC[C@H](CC)CCCN(C)Cc1nc(C)cc(=O)[nH]1 ZINC001174724933 1132966146 /nfs/dbraw/zinc/96/61/46/1132966146.db2.gz LDPGCJNNJBOYCZ-HNNXBMFYSA-N 0 1 293.455 3.919 20 0 CHADMN Oc1ccc(Nc2ccncc2Oc2ccccc2)cc1F ZINC001174732537 1132966493 /nfs/dbraw/zinc/96/64/93/1132966493.db2.gz CUZCPIBUOAOEDW-UHFFFAOYSA-N 0 1 296.301 3.884 20 0 CHADMN Cc1ccc(Nc2cc3cn[nH]c3cc2C)c(N)c1C ZINC001160383104 1132968246 /nfs/dbraw/zinc/96/82/46/1132968246.db2.gz HOLXCCYSJXVGIU-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN CC1(C)CC[C@H](Nc2nc3[nH]cnc3cc2Cl)C1 ZINC001161033259 1132991078 /nfs/dbraw/zinc/99/10/78/1132991078.db2.gz HKAHBSYRWWTFRN-QMMMGPOBSA-N 0 1 264.760 3.602 20 0 CHADMN Cc1cc(Cl)ccc1C(=O)Nc1ccc(F)c(F)c1O ZINC001161067850 1132992574 /nfs/dbraw/zinc/99/25/74/1132992574.db2.gz RBRCTWIZQUYAOF-UHFFFAOYSA-N 0 1 297.688 3.885 20 0 CHADMN Nc1cc(Cl)cc2c1ccn2-c1cccc2nc[nH]c21 ZINC001213033370 1133003638 /nfs/dbraw/zinc/00/36/38/1133003638.db2.gz CIGPQCXTTWCPHB-UHFFFAOYSA-N 0 1 282.734 3.742 20 0 CHADMN Cc1cnc(N[C@H](C)c2ccc3c(c2)OCO3)cc1C ZINC001161517705 1133005040 /nfs/dbraw/zinc/00/50/40/1133005040.db2.gz OFORRNBOSLEWQI-GFCCVEGCSA-N 0 1 270.332 3.600 20 0 CHADMN COc1ccc2c(ccnc2NCc2cncn2C(C)C)c1 ZINC001161563323 1133007031 /nfs/dbraw/zinc/00/70/31/1133007031.db2.gz ZEMWFUMAAWXJNR-UHFFFAOYSA-N 0 1 296.374 3.633 20 0 CHADMN FC(F)(F)CNc1cc(OCc2ccccc2)ccn1 ZINC001161626430 1133011837 /nfs/dbraw/zinc/01/18/37/1133011837.db2.gz UHQPZWRRBMSECZ-UHFFFAOYSA-N 0 1 282.265 3.635 20 0 CHADMN COc1ncccc1[C@@H](Nc1cc(C)c(C)cn1)C1CC1 ZINC001161792590 1133029339 /nfs/dbraw/zinc/02/93/39/1133029339.db2.gz TVELUFZHGWWLOP-INIZCTEOSA-N 0 1 283.375 3.665 20 0 CHADMN Cc1ccc(C)c(CCNc2ccnc3c2ccn3C)c1 ZINC001161832892 1133034346 /nfs/dbraw/zinc/03/43/46/1133034346.db2.gz UUQQXPLZTIWPCF-UHFFFAOYSA-N 0 1 279.387 3.845 20 0 CHADMN Cc1ncc(CNc2cc(OC(C)(C)C)ccn2)s1 ZINC001162163452 1133056081 /nfs/dbraw/zinc/05/60/81/1133056081.db2.gz VHOINSMWIUEIDS-UHFFFAOYSA-N 0 1 277.393 3.636 20 0 CHADMN Cc1cc2cc[nH]c2c(NCc2ccc3c(ccn3C)c2)n1 ZINC001162166463 1133055952 /nfs/dbraw/zinc/05/59/52/1133055952.db2.gz SMVGIZQEKBMXNQ-UHFFFAOYSA-N 0 1 290.370 3.975 20 0 CHADMN CC(C)(C)N1CC(Nc2nccc3c(Cl)cccc32)C1 ZINC001162221675 1133060628 /nfs/dbraw/zinc/06/06/28/1133060628.db2.gz QRBMDPXURKTACW-UHFFFAOYSA-N 0 1 289.810 3.783 20 0 CHADMN Cn1cccc1-c1ccc(NC(=N)C(C)(C)C)nc1 ZINC001162660331 1133102070 /nfs/dbraw/zinc/10/20/70/1133102070.db2.gz IWDZLTJVBLYJGE-UHFFFAOYSA-N 0 1 256.353 3.522 20 0 CHADMN Clc1cc2nc[nH]c2nc1N[C@@H]1CCc2sccc21 ZINC001162766729 1133110678 /nfs/dbraw/zinc/11/06/78/1133110678.db2.gz OGAOQJMHVYKMKJ-SECBINFHSA-N 0 1 290.779 3.772 20 0 CHADMN Cc1c(=O)[nH]n(-c2ccccc2)c1Nc1ccc(C)c(C)n1 ZINC001163111412 1133130306 /nfs/dbraw/zinc/13/03/06/1133130306.db2.gz TUOKYZGNCDHKOB-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN Cc1cnc(NCc2cccc(C(F)(F)F)n2)cc1C ZINC001163184774 1133134180 /nfs/dbraw/zinc/13/41/80/1133134180.db2.gz UGYXMOJJIHUCPE-UHFFFAOYSA-N 0 1 281.281 3.724 20 0 CHADMN Cc1cnc(N[C@H]2CCc3c2cccc3O)c(C)c1 ZINC001163193802 1133134998 /nfs/dbraw/zinc/13/49/98/1133134998.db2.gz HMSNISUDARBQFX-AWEZNQCLSA-N 0 1 254.333 3.503 20 0 CHADMN Cc1cc2ccccc2c(NCc2cnn3ccccc23)n1 ZINC001163282284 1133140945 /nfs/dbraw/zinc/14/09/45/1133140945.db2.gz FQJHBDINXSVPLO-UHFFFAOYSA-N 0 1 288.354 3.803 20 0 CHADMN CCN(Cc1ccncc1)C(C)(C)c1ccnc(Cl)c1 ZINC001163612476 1133163273 /nfs/dbraw/zinc/16/32/73/1133163273.db2.gz KDUWHOYPJCXWFD-UHFFFAOYSA-N 0 1 289.810 3.887 20 0 CHADMN Cc1ccc2c(ccnc2NCc2ccccc2N)c1 ZINC001163881240 1133181914 /nfs/dbraw/zinc/18/19/14/1133181914.db2.gz WHBXGVHQERHRLM-UHFFFAOYSA-N 0 1 263.344 3.738 20 0 CHADMN Nc1ccccc1CNc1ccc(C2C=NC(=S)N2)cc1 ZINC001163886102 1133182584 /nfs/dbraw/zinc/18/25/84/1133182584.db2.gz RZCZPBBPYJVSBN-UHFFFAOYSA-N 0 1 296.399 3.560 20 0 CHADMN Cc1ccc(N2CCc3ccccc3[C@@H]2C)nc1C ZINC001163955343 1133187710 /nfs/dbraw/zinc/18/77/10/1133187710.db2.gz RYLXQJRIMKCVHQ-AWEZNQCLSA-N 0 1 252.361 3.822 20 0 CHADMN COc1ccc(CCCNc2cc3nc[nH]c3cc2F)cc1 ZINC001164194732 1133205472 /nfs/dbraw/zinc/20/54/72/1133205472.db2.gz RMDGZUYAWJRJEV-UHFFFAOYSA-N 0 1 299.349 3.755 20 0 CHADMN Cc1cc2cc[nH]c2c(NCCSCc2ccco2)n1 ZINC001164216170 1133207921 /nfs/dbraw/zinc/20/79/21/1133207921.db2.gz UZDPLQTZYKWJRA-UHFFFAOYSA-N 0 1 287.388 3.810 20 0 CHADMN CSc1cc(NC(=O)CN(C)CC(C)(C)C)ccc1C ZINC001164402850 1133218259 /nfs/dbraw/zinc/21/82/59/1133218259.db2.gz DHZRVYUFRXIZDU-UHFFFAOYSA-N 0 1 294.464 3.633 20 0 CHADMN C[C@H]1CN(Cc2ccc(C(C)(C)C)cc2)CCCC1=O ZINC001204396503 1133233910 /nfs/dbraw/zinc/23/39/10/1133233910.db2.gz GMPBTJQGCCCGGY-AWEZNQCLSA-N 0 1 273.420 3.785 20 0 CHADMN Cc1ncc(CSc2nc(C=Cc3ccccc3)n[nH]2)o1 ZINC001165486975 1133243248 /nfs/dbraw/zinc/24/32/48/1133243248.db2.gz APUKCMMBWWUJPC-FPLPWBNLSA-N 0 1 298.371 3.564 20 0 CHADMN CC1CCN(CCSc2c(F)cc(F)cc2F)CC1 ZINC001165553700 1133245572 /nfs/dbraw/zinc/24/55/72/1133245572.db2.gz IUGPRWFDLRNJBV-UHFFFAOYSA-N 0 1 289.366 3.928 20 0 CHADMN CC(=O)c1cccc(OCc2ccc3nc(C)[nH]c3c2)c1F ZINC001166769627 1133285232 /nfs/dbraw/zinc/28/52/32/1133285232.db2.gz PAIQEVQZLPSKDF-UHFFFAOYSA-N 0 1 298.317 3.792 20 0 CHADMN c1cc(CCNc2cc(OCC3CC3)ccn2)cs1 ZINC001166791009 1133286936 /nfs/dbraw/zinc/28/69/36/1133286936.db2.gz GBSIWUOSWLUFTD-UHFFFAOYSA-N 0 1 274.389 3.587 20 0 CHADMN CC(C)C[N@H+](Cc1cc(=O)[n-]c(-c2ccccc2)n1)C(C)C ZINC001167007121 1133298633 /nfs/dbraw/zinc/29/86/33/1133298633.db2.gz UZTBLOCXFYEJKT-UHFFFAOYSA-N 0 1 299.418 3.716 20 0 CHADMN CC(C)C[N@@H+](Cc1cc(=O)[n-]c(-c2ccccc2)n1)C(C)C ZINC001167007121 1133298636 /nfs/dbraw/zinc/29/86/36/1133298636.db2.gz UZTBLOCXFYEJKT-UHFFFAOYSA-N 0 1 299.418 3.716 20 0 CHADMN CN(C)Cc1cccc(NCc2ccccc2C2CC2)n1 ZINC001167012659 1133300267 /nfs/dbraw/zinc/30/02/67/1133300267.db2.gz MSLZKNHTRMKNDR-UHFFFAOYSA-N 0 1 281.403 3.633 20 0 CHADMN CC(C)Oc1ccnc(N2CCC[C@@H]2c2nccs2)c1 ZINC001167042495 1133301900 /nfs/dbraw/zinc/30/19/00/1133301900.db2.gz UHZHMACATIDWFT-CYBMUJFWSA-N 0 1 289.404 3.667 20 0 CHADMN CCc1cc(CN2CCC[C@@H]2c2ccccc2)on1 ZINC001203218565 1133306849 /nfs/dbraw/zinc/30/68/49/1133306849.db2.gz GEDZWJFIXOUOAK-MRXNPFEDSA-N 0 1 256.349 3.574 20 0 CHADMN Fc1cccc(Cl)c1CN1CCC[C@@H](F)CC1 ZINC001203399412 1133322273 /nfs/dbraw/zinc/32/22/73/1133322273.db2.gz XWKYHRLWJBOIRQ-SNVBAGLBSA-N 0 1 259.727 3.803 20 0 CHADMN COCC[C@@H]1CCCCN1Cc1c(F)cccc1Cl ZINC001203405660 1133322572 /nfs/dbraw/zinc/32/25/72/1133322572.db2.gz QMQBPWIFLHQUEI-LBPRGKRZSA-N 0 1 285.790 3.870 20 0 CHADMN COc1ccc(CN2CCc3ccc(C)cc3C2)c(OC)c1 ZINC001203470619 1133330442 /nfs/dbraw/zinc/33/04/42/1133330442.db2.gz CEBAQBRODDRVFV-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccn2ccnc12 ZINC001203520376 1133335091 /nfs/dbraw/zinc/33/50/91/1133335091.db2.gz RCDOBQDOBUIMMA-UHFFFAOYSA-N 0 1 290.326 3.635 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cnc(C)cc1C ZINC001203523558 1133335124 /nfs/dbraw/zinc/33/51/24/1133335124.db2.gz RQYVDFUIMGEFAF-UHFFFAOYSA-N 0 1 279.343 3.999 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(F)ncc1F ZINC001203525009 1133336088 /nfs/dbraw/zinc/33/60/88/1133336088.db2.gz MKHGXELHNBZHQJ-UHFFFAOYSA-N 0 1 287.269 3.660 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccc2c1OCC2 ZINC001203525712 1133337238 /nfs/dbraw/zinc/33/72/38/1133337238.db2.gz CGCWHDWKHCFRCG-UHFFFAOYSA-N 0 1 292.338 3.922 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(N)ccc1F ZINC001203528520 1133337441 /nfs/dbraw/zinc/33/74/41/1133337441.db2.gz PVKKSPYRCGXGCK-UHFFFAOYSA-N 0 1 283.306 3.708 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(O)ccc1F ZINC001203526148 1133337881 /nfs/dbraw/zinc/33/78/81/1133337881.db2.gz OZDQUYITFZMSFX-UHFFFAOYSA-N 0 1 284.290 3.832 20 0 CHADMN COc1cccc(CNCc2cccc3ncccc23)c1F ZINC001203582309 1133343312 /nfs/dbraw/zinc/34/33/12/1133343312.db2.gz CKQHOEDMXNPZJZ-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN Cc1ccccc1CN1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001203709346 1133357127 /nfs/dbraw/zinc/35/71/27/1133357127.db2.gz BCFWIJLTNBWQOX-LJQANCHMSA-N 0 1 299.389 3.882 20 0 CHADMN Cc1ccc(CN2CCCC(F)(F)[C@@H](F)C2)c(C)c1 ZINC001203729359 1133359772 /nfs/dbraw/zinc/35/97/72/1133359772.db2.gz LYLDJXRTUMDOEE-AWEZNQCLSA-N 0 1 271.326 3.873 20 0 CHADMN C[C@]1(CF)CCN(Cc2ccc(F)c(Cl)c2)C1 ZINC001204281148 1133427131 /nfs/dbraw/zinc/42/71/31/1133427131.db2.gz UGYBSXMDXQLVSP-CYBMUJFWSA-N 0 1 259.727 3.661 20 0 CHADMN Cc1ccc(C)c(CN2CC[C@@](C)(F)[C@@H](F)C2)c1 ZINC001203742374 1133363808 /nfs/dbraw/zinc/36/38/08/1133363808.db2.gz CQLONCUJGWOBBD-LSDHHAIUSA-N 0 1 253.336 3.575 20 0 CHADMN COc1cc(C)c(CN(C)Cc2cccnc2C)cc1C ZINC001203758916 1133367136 /nfs/dbraw/zinc/36/71/36/1133367136.db2.gz SBWZLUSPEXLGDP-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)CC[C@@H]1O ZINC001203804306 1133371758 /nfs/dbraw/zinc/37/17/58/1133371758.db2.gz OYIGRGDAQZHKIN-YGRLFVJLSA-N 0 1 288.218 3.586 20 0 CHADMN FC(F)(F)c1cccc(CN2CC[C@]3(C2)CCCCO3)c1 ZINC001203885682 1133379185 /nfs/dbraw/zinc/37/91/85/1133379185.db2.gz QYWBSADXZJNTGG-HNNXBMFYSA-N 0 1 299.336 3.850 20 0 CHADMN FC[C@]1(C(F)(F)F)CCN(Cc2ccc(F)cc2)C1 ZINC001203912865 1133383285 /nfs/dbraw/zinc/38/32/85/1133383285.db2.gz HPYUIVPZJHKTSL-GFCCVEGCSA-N 0 1 279.252 3.550 20 0 CHADMN Fc1ccc(CN2CC[C@@H]2COCc2ccccc2)cc1 ZINC001203916223 1133384409 /nfs/dbraw/zinc/38/44/09/1133384409.db2.gz JLTWFJKVSDYFFM-GOSISDBHSA-N 0 1 285.362 3.617 20 0 CHADMN C[C@H](c1ccccc1)N1CCN(Cc2ccc(F)cc2)CC1 ZINC001203917439 1133385158 /nfs/dbraw/zinc/38/51/58/1133385158.db2.gz JYEUZBWUNQDHDY-MRXNPFEDSA-N 0 1 298.405 3.705 20 0 CHADMN FC(F)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001203921556 1133385187 /nfs/dbraw/zinc/38/51/87/1133385187.db2.gz PVMLXGJIFSDLBN-NSHDSACASA-N 0 1 259.727 3.817 20 0 CHADMN CCOc1ccc(CN2CCc3cc(OC)ccc3C2)cc1 ZINC001203963528 1133390913 /nfs/dbraw/zinc/39/09/13/1133390913.db2.gz UGQLVWRGDIUPFV-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1ccc3ccccc3c1)C2 ZINC001203999839 1133397818 /nfs/dbraw/zinc/39/78/18/1133397818.db2.gz OFNDYMBMUPPPSM-ROUUACIJSA-N 0 1 267.372 3.593 20 0 CHADMN C[C@@H](c1cccc(Br)c1)N(C)Cc1ccc[nH]1 ZINC001204010386 1133397979 /nfs/dbraw/zinc/39/79/79/1133397979.db2.gz KIRPDIIGKDASJE-NSHDSACASA-N 0 1 293.208 3.970 20 0 CHADMN F[C@H]1CN(Cc2c[nH]c3ccccc23)CCCC1(F)F ZINC001204040909 1133402150 /nfs/dbraw/zinc/40/21/50/1133402150.db2.gz CUGQWYRNCJAPFT-AWEZNQCLSA-N 0 1 282.309 3.737 20 0 CHADMN F[C@@H]1CN(Cc2c[nH]c3ccccc23)CCCC1(F)F ZINC001204040910 1133402509 /nfs/dbraw/zinc/40/25/09/1133402509.db2.gz CUGQWYRNCJAPFT-CQSZACIVSA-N 0 1 282.309 3.737 20 0 CHADMN OC[C@@H]1C[C@@H](F)CN(Cc2ccc(-c3ccccc3)cc2)C1 ZINC001204133849 1133409347 /nfs/dbraw/zinc/40/93/47/1133409347.db2.gz FTNBODRHCGROOW-VQIMIIECSA-N 0 1 299.389 3.506 20 0 CHADMN Fc1cccc(CN2CCC[C@@H]2Cc2ccccn2)c1F ZINC001204197587 1133418315 /nfs/dbraw/zinc/41/83/15/1133418315.db2.gz BQBWMBOLWGCEOQ-OAHLLOKOSA-N 0 1 288.341 3.567 20 0 CHADMN COc1cccc(CCN(C)Cc2cc(F)ccc2F)c1 ZINC001204220045 1133420589 /nfs/dbraw/zinc/42/05/89/1133420589.db2.gz WTNWZBNHJILMEG-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN C[C@H]1CN(Cc2ccc(F)c(Cl)c2)C2(CC2)C1 ZINC001204285327 1133428425 /nfs/dbraw/zinc/42/84/25/1133428425.db2.gz XQVRVEZQDORKTH-SNVBAGLBSA-N 0 1 253.748 3.854 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1ccnc(OC)c1F ZINC001204286800 1133428690 /nfs/dbraw/zinc/42/86/90/1133428690.db2.gz DKZWXBWWUDGUOP-AWEZNQCLSA-N 0 1 280.387 3.774 20 0 CHADMN COCC[C@H]1CCCCN1Cc1ccc(F)c(Cl)c1 ZINC001204284307 1133428904 /nfs/dbraw/zinc/42/89/04/1133428904.db2.gz JXECSKRPBLEUKD-CYBMUJFWSA-N 0 1 285.790 3.870 20 0 CHADMN Cn1cc(CN2CCCC(F)(F)[C@H](F)C2)c2ccccc21 ZINC001204314501 1133434873 /nfs/dbraw/zinc/43/48/73/1133434873.db2.gz MHOSTWLWSGTWSJ-OAHLLOKOSA-N 0 1 296.336 3.748 20 0 CHADMN Cn1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c2ccccc21 ZINC001204319737 1133436972 /nfs/dbraw/zinc/43/69/72/1133436972.db2.gz AITRSTMYWRCYGE-RHSMWYFYSA-N 0 1 268.404 3.943 20 0 CHADMN CC1(C)CN(Cc2cn3ccnc3s2)Cc2ccccc21 ZINC001204348742 1133438342 /nfs/dbraw/zinc/43/83/42/1133438342.db2.gz TXSIBLWXMNOBDW-UHFFFAOYSA-N 0 1 297.427 3.689 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H](C(F)F)C2)cc1OC ZINC001204360317 1133440073 /nfs/dbraw/zinc/44/00/73/1133440073.db2.gz MLKJCBBFPLAUJZ-CYBMUJFWSA-N 0 1 299.361 3.571 20 0 CHADMN CCCCCCOc1ccc(CN2CC(COC)C2)cc1 ZINC001204364611 1133441840 /nfs/dbraw/zinc/44/18/40/1133441840.db2.gz DSVZCRWCXFFGAU-UHFFFAOYSA-N 0 1 291.435 3.724 20 0 CHADMN FC(F)(F)Oc1ccccc1CN1CCC2(CCC2)C1 ZINC001204428660 1133446128 /nfs/dbraw/zinc/44/61/28/1133446128.db2.gz OUKISWBUMMJGAT-UHFFFAOYSA-N 0 1 285.309 3.961 20 0 CHADMN Cc1c(F)cccc1CN1CC(C)(C)OC(C)(C)C1 ZINC001204509930 1133455404 /nfs/dbraw/zinc/45/54/04/1133455404.db2.gz GSTZNFKUIACXSA-UHFFFAOYSA-N 0 1 265.372 3.524 20 0 CHADMN Cc1c(F)cccc1CN1CCC[C@H]1c1cccnc1 ZINC001204507374 1133455412 /nfs/dbraw/zinc/45/54/12/1133455412.db2.gz WEOLQXROWLTPKW-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1c(F)cccc1CN1CCC[C@H](C(F)(F)F)C1 ZINC001204513258 1133456640 /nfs/dbraw/zinc/45/66/40/1133456640.db2.gz WKOVBVKVMIPLDN-LBPRGKRZSA-N 0 1 275.289 3.908 20 0 CHADMN CCN(Cc1snc(OC)c1Cl)[C@H](C)C(C)C ZINC001204523939 1133457490 /nfs/dbraw/zinc/45/74/90/1133457490.db2.gz MCCJBMROPNLMGU-SECBINFHSA-N 0 1 276.833 3.672 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1cc(F)c(F)c(F)c1 ZINC001204527831 1133458289 /nfs/dbraw/zinc/45/82/89/1133458289.db2.gz ZVRJJQFDFWQVOB-UWVGGRQHSA-N 0 1 257.299 3.867 20 0 CHADMN Cc1cc(CN2CCN([C@@H](C)c3ccccc3)CC2)oc1C ZINC001204532328 1133459141 /nfs/dbraw/zinc/45/91/41/1133459141.db2.gz DRZGPVDIMALYTH-INIZCTEOSA-N 0 1 298.430 3.775 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cc(C)c(C)o1)CCC2 ZINC001204539928 1133459213 /nfs/dbraw/zinc/45/92/13/1133459213.db2.gz TWMAKWZTKKEJTE-UHFFFAOYSA-N 0 1 285.387 3.853 20 0 CHADMN Fc1cc(CN2CC3CCC(CC3)C2)cc(F)c1F ZINC001204531271 1133459386 /nfs/dbraw/zinc/45/93/86/1133459386.db2.gz QNPIJGZWRIGYJC-UHFFFAOYSA-N 0 1 269.310 3.726 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(F)c(F)c(F)c2)C1 ZINC001204529751 1133459860 /nfs/dbraw/zinc/45/98/60/1133459860.db2.gz NEBHJINFWHEAJH-SNVBAGLBSA-N 0 1 257.299 3.726 20 0 CHADMN COc1cccc([C@@H]2CCCN(Cc3nccs3)C2)c1 ZINC001204549048 1133460979 /nfs/dbraw/zinc/46/09/79/1133460979.db2.gz CNFSSINIHHVCAL-CQSZACIVSA-N 0 1 288.416 3.531 20 0 CHADMN CN(Cc1cc2ccccc2[nH]1)Cc1cccc(F)c1N ZINC001204608760 1133467062 /nfs/dbraw/zinc/46/70/62/1133467062.db2.gz JXABGAFCBXHWSQ-UHFFFAOYSA-N 0 1 283.350 3.521 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc3occc3c2)C(C)(C)CO1 ZINC001204648663 1133471200 /nfs/dbraw/zinc/47/12/00/1133471200.db2.gz UPKVAVLBOVPPRU-UHFFFAOYSA-N 0 1 273.376 3.822 20 0 CHADMN CC1(C)CN(Cc2ccc3occc3c2)C(C)(C)CO1 ZINC001204648663 1133471203 /nfs/dbraw/zinc/47/12/03/1133471203.db2.gz UPKVAVLBOVPPRU-UHFFFAOYSA-N 0 1 273.376 3.822 20 0 CHADMN COc1cccc(OC)c1C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC001204647742 1133471389 /nfs/dbraw/zinc/47/13/89/1133471389.db2.gz JINIDXYEHKSSHP-UHFFFAOYSA-N 0 1 289.419 3.882 20 0 CHADMN COc1cccc(OC)c1CN1CC=C(C(C)(C)C)CC1 ZINC001204647742 1133471393 /nfs/dbraw/zinc/47/13/93/1133471393.db2.gz JINIDXYEHKSSHP-UHFFFAOYSA-N 0 1 289.419 3.882 20 0 CHADMN Cn1cncc1Nc1ccc(Cc2ccccc2)cc1 ZINC001204712952 1133478165 /nfs/dbraw/zinc/47/81/65/1133478165.db2.gz YRJTWCOXGYJZAV-UHFFFAOYSA-N 0 1 263.344 3.755 20 0 CHADMN CN[C@H](c1nc(-c2ccc(F)cc2Cl)no1)C(C)(C)C ZINC001204889848 1133496025 /nfs/dbraw/zinc/49/60/25/1133496025.db2.gz RTVCSMHAPWCEQZ-LLVKDONJSA-N 0 1 297.761 3.836 20 0 CHADMN COc1ccc(CN2CC[C@@H](C)C(F)(F)CC2)c(F)c1 ZINC001204900501 1133498578 /nfs/dbraw/zinc/49/85/78/1133498578.db2.gz YSAKQVKAVPLSCH-LLVKDONJSA-N 0 1 287.325 3.702 20 0 CHADMN Cc1c(C)c(-c2cc(F)c3c(c2)CN(C)CC3)ccc1CO ZINC001204998541 1133514762 /nfs/dbraw/zinc/51/47/62/1133514762.db2.gz SSVLDQVPXXSPRD-UHFFFAOYSA-N 0 1 299.389 3.590 20 0 CHADMN CCc1[nH]nc(Cl)c1CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC001205076676 1133523965 /nfs/dbraw/zinc/52/39/65/1133523965.db2.gz DVOQYKIIEITNKX-GHMZBOCLSA-N 0 1 269.820 3.636 20 0 CHADMN Oc1ccc(-c2ccc3nc[nH]c3c2)c(C(F)(F)F)c1 ZINC001205086996 1133526686 /nfs/dbraw/zinc/52/66/86/1133526686.db2.gz HKNMBYZHKWHVLT-UHFFFAOYSA-N 0 1 278.233 3.954 20 0 CHADMN CCC[N@@H+](Cc1ccns1)Cc1ccc(C)cc1 ZINC001205123193 1133532849 /nfs/dbraw/zinc/53/28/49/1133532849.db2.gz JXNFGIAQQJZMGL-UHFFFAOYSA-N 0 1 260.406 3.864 20 0 CHADMN CCCN(Cc1ccns1)Cc1ccc(C)cc1 ZINC001205123193 1133532853 /nfs/dbraw/zinc/53/28/53/1133532853.db2.gz JXNFGIAQQJZMGL-UHFFFAOYSA-N 0 1 260.406 3.864 20 0 CHADMN CN(Cc1cn2ccnc2s1)Cc1ccc(Cl)cc1 ZINC001205185598 1133542724 /nfs/dbraw/zinc/54/27/24/1133542724.db2.gz OUSOKOZITPAVBJ-UHFFFAOYSA-N 0 1 291.807 3.681 20 0 CHADMN Cc1cc(CN2CC(C)(C)OC(C)(C)C2)ccc1F ZINC001205198283 1133545098 /nfs/dbraw/zinc/54/50/98/1133545098.db2.gz KUUDCKBOBVFFIB-UHFFFAOYSA-N 0 1 265.372 3.524 20 0 CHADMN Cc1ccc(CN2CCN(C)[C@@H](c3ccccc3)C2)cc1F ZINC001205227653 1133547221 /nfs/dbraw/zinc/54/72/21/1133547221.db2.gz KSEZOFOABCCZKK-LJQANCHMSA-N 0 1 298.405 3.623 20 0 CHADMN Cc1ccc(CN2CCC3(CC(F)(F)CO3)CC2)cc1F ZINC001205215130 1133547738 /nfs/dbraw/zinc/54/77/38/1133547738.db2.gz KPGBTHARKQPXPU-UHFFFAOYSA-N 0 1 299.336 3.524 20 0 CHADMN CCC[N@@H+](CCc1cccs1)Cc1cnc(OC)s1 ZINC001205260683 1133551812 /nfs/dbraw/zinc/55/18/12/1133551812.db2.gz BWVMCIUHVWSTMV-UHFFFAOYSA-N 0 1 296.461 3.668 20 0 CHADMN Fc1cccc(-c2ccc3c(c2)CCN3Cc2cnc[nH]2)c1 ZINC001205360286 1133570041 /nfs/dbraw/zinc/57/00/41/1133570041.db2.gz RJKQNVCBDXJCKG-UHFFFAOYSA-N 0 1 293.345 3.779 20 0 CHADMN FC(F)(F)c1ccc(CN2CC3(C2)CCCCC3)cn1 ZINC001205444270 1133578227 /nfs/dbraw/zinc/57/82/27/1133578227.db2.gz VMNMVNWBADZEQF-UHFFFAOYSA-N 0 1 284.325 3.867 20 0 CHADMN Clc1ccc(C[N@H+]2CC[C@H](OC3CCCC3)C2)cc1 ZINC001205566433 1133588527 /nfs/dbraw/zinc/58/85/27/1133588527.db2.gz CYLXXSBTNHVWQB-INIZCTEOSA-N 0 1 279.811 3.874 20 0 CHADMN Clc1ccc(CN2CC[C@H](OC3CCCC3)C2)cc1 ZINC001205566433 1133588530 /nfs/dbraw/zinc/58/85/30/1133588530.db2.gz CYLXXSBTNHVWQB-INIZCTEOSA-N 0 1 279.811 3.874 20 0 CHADMN CC[C@H](C)N(CC(=O)OC)C[C@@H](C)c1cccc(Cl)c1 ZINC001205562725 1133588791 /nfs/dbraw/zinc/58/87/91/1133588791.db2.gz VZEKFQRBQSIUFM-OLZOCXBDSA-N 0 1 297.826 3.717 20 0 CHADMN Cc1cccc2c1CN(Cc1ccc3[nH]ccc3c1)C2 ZINC001205570622 1133589939 /nfs/dbraw/zinc/58/99/39/1133589939.db2.gz KHPXKBFNSFZQMJ-UHFFFAOYSA-N 0 1 262.356 3.992 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H](OCc3ccccc3)C2)c1 ZINC001205647937 1133598920 /nfs/dbraw/zinc/59/89/20/1133598920.db2.gz OHQCKAROSOCGGZ-SFHVURJKSA-N 0 1 299.389 3.925 20 0 CHADMN Clc1cccc(C2CCN(Cc3cnoc3)CC2)c1 ZINC001205677135 1133602145 /nfs/dbraw/zinc/60/21/45/1133602145.db2.gz CNCYUBCBKAVJPP-UHFFFAOYSA-N 0 1 276.767 3.708 20 0 CHADMN Clc1ccc([C@H]2CCN(Cc3cnoc3)C2)cc1Cl ZINC001205703403 1133605105 /nfs/dbraw/zinc/60/51/05/1133605105.db2.gz BBADVBNREPJBLZ-LBPRGKRZSA-N 0 1 297.185 3.971 20 0 CHADMN CCc1cc(-c2cc3[nH]cnc3cn2)ccc1Cl ZINC001205793016 1133614118 /nfs/dbraw/zinc/61/41/18/1133614118.db2.gz ASTWKUOQVWMDFR-UHFFFAOYSA-N 0 1 257.724 3.841 20 0 CHADMN Cc1cnccc1CN(C)C/C=C/c1ccccc1 ZINC001205863114 1133624310 /nfs/dbraw/zinc/62/43/10/1133624310.db2.gz VNQQCLQUZKTISG-RMKNXTFCSA-N 0 1 252.361 3.535 20 0 CHADMN Fc1ccc(Cl)cc1CN1CCC12CCCC2 ZINC001205998437 1133640321 /nfs/dbraw/zinc/64/03/21/1133640321.db2.gz BOYACNSAOPKBAP-UHFFFAOYSA-N 0 1 253.748 3.998 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)nc2)[C@H]1C ZINC001206016220 1133642122 /nfs/dbraw/zinc/64/21/22/1133642122.db2.gz OYQDGVHBXALXNY-OLZOCXBDSA-N 0 1 286.350 3.853 20 0 CHADMN CCCCOc1ccc(-c2nccc3[nH]cnc32)c(F)c1 ZINC001206101346 1133657780 /nfs/dbraw/zinc/65/77/80/1133657780.db2.gz AENSCOYVNAJVSU-UHFFFAOYSA-N 0 1 285.322 3.943 20 0 CHADMN CCCOc1ccc(-c2cncc3[nH]c(C)nc32)c(F)c1 ZINC001206149531 1133664321 /nfs/dbraw/zinc/66/43/21/1133664321.db2.gz RNJDMHRPMUDORZ-UHFFFAOYSA-N 0 1 285.322 3.861 20 0 CHADMN CCCOc1ccc(-c2c[nH]cc3nc(C)nc2-3)c(F)c1 ZINC001206149531 1133664324 /nfs/dbraw/zinc/66/43/24/1133664324.db2.gz RNJDMHRPMUDORZ-UHFFFAOYSA-N 0 1 285.322 3.861 20 0 CHADMN COc1nc(CN[C@@H](C)c2ccc(Cl)cc2)ccc1C ZINC001206167245 1133666409 /nfs/dbraw/zinc/66/64/09/1133666409.db2.gz CQSKEHJWONGTDT-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CCCCCOC1CN(CCC2CCCCC2)C1 ZINC001206173778 1133667032 /nfs/dbraw/zinc/66/70/32/1133667032.db2.gz BAHNGXJOPQUVBT-UHFFFAOYSA-N 0 1 253.430 3.848 20 0 CHADMN Cc1cnc(-c2ccc(Cl)c(C)c2F)cc1N ZINC001206272738 1133680325 /nfs/dbraw/zinc/68/03/25/1133680325.db2.gz TXMMVQMEPGVSOG-UHFFFAOYSA-N 0 1 250.704 3.740 20 0 CHADMN C[C@H]1CN(CC2Cc3ccccc3C2)CC2(CCCCC2)O1 ZINC001206489603 1133708896 /nfs/dbraw/zinc/70/88/96/1133708896.db2.gz CVGUHKDEVOCLOS-INIZCTEOSA-N 0 1 299.458 3.825 20 0 CHADMN C[C@H](c1nccc2ccccc21)N1CCC[C@H](F)C1 ZINC001206560921 1133718313 /nfs/dbraw/zinc/71/83/13/1133718313.db2.gz YCVQKSAZGKWTFI-OCCSQVGLSA-N 0 1 258.340 3.730 20 0 CHADMN Cc1ccnc(N[C@@H]2CC[C@H]3COCC[C@H]3C2)c1C1CC1 ZINC001206591901 1133724428 /nfs/dbraw/zinc/72/44/28/1133724428.db2.gz WKSVBKKDYSSECM-HRCADAONSA-N 0 1 286.419 3.885 20 0 CHADMN CCc1ccc(C)nc1N[C@H]1CC[C@H](C)SC1 ZINC001206661043 1133731569 /nfs/dbraw/zinc/73/15/69/1133731569.db2.gz NLWCZHGMRHCLJW-AAEUAGOBSA-N 0 1 250.411 3.648 20 0 CHADMN COc1cc(C)ccc1CN1CCCC[C@@](C)(F)C1 ZINC001206742410 1133738999 /nfs/dbraw/zinc/73/89/99/1133738999.db2.gz YWNVEKOQRHAOCG-MRXNPFEDSA-N 0 1 265.372 3.718 20 0 CHADMN Oc1cc(F)c(-c2nccc3sccc32)cc1F ZINC001206755546 1133741780 /nfs/dbraw/zinc/74/17/80/1133741780.db2.gz MKYGLOBSIMXJNL-UHFFFAOYSA-N 0 1 263.268 3.947 20 0 CHADMN Cc1cccc2c1ncnc2-c1cc(F)c(O)cc1F ZINC001206755035 1133742321 /nfs/dbraw/zinc/74/23/21/1133742321.db2.gz DHSUDXLZGCKTFH-UHFFFAOYSA-N 0 1 272.254 3.589 20 0 CHADMN CC(C)OCc1ccc(-c2cc(F)c(O)cc2F)nc1 ZINC001206767528 1133745784 /nfs/dbraw/zinc/74/57/84/1133745784.db2.gz CWCYFLCYVHWFGW-UHFFFAOYSA-N 0 1 279.286 3.657 20 0 CHADMN COc1ccc2ccnc(-c3cc(F)c(O)cc3F)c2c1 ZINC001206767855 1133746233 /nfs/dbraw/zinc/74/62/33/1133746233.db2.gz KVTVUSTYFLIZSU-UHFFFAOYSA-N 0 1 287.265 3.894 20 0 CHADMN COc1cc(C)ccc1CN1C2CCCC1CCC2 ZINC001206782663 1133747950 /nfs/dbraw/zinc/74/79/50/1133747950.db2.gz DMWQNJMRUUVHEP-UHFFFAOYSA-N 0 1 259.393 3.911 20 0 CHADMN Cc1ncc(CN(Cc2cccc(C)c2C)C2CC2)n1C ZINC001206796988 1133749938 /nfs/dbraw/zinc/74/99/38/1133749938.db2.gz ROKMJWCBJBQXEB-UHFFFAOYSA-N 0 1 283.419 3.510 20 0 CHADMN COc1ccc(-c2cc(CN3CCC(C)CC3)no2)cc1 ZINC001206822770 1133752455 /nfs/dbraw/zinc/75/24/55/1133752455.db2.gz FCZORUKZMFYNKH-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN CC(C)CN(C)Cc1cc(-c2ccc(F)cc2)on1 ZINC001206832520 1133754178 /nfs/dbraw/zinc/75/41/78/1133754178.db2.gz DHFWLYIEWURWQZ-UHFFFAOYSA-N 0 1 262.328 3.569 20 0 CHADMN CN(Cc1cc(-c2ccc(F)cc2)on1)CC1CCC1 ZINC001206835174 1133754756 /nfs/dbraw/zinc/75/47/56/1133754756.db2.gz WRAUJJINQUVMBR-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN CC1(C)CCN(Cc2cc(-c3ccccc3)on2)C1 ZINC001206843713 1133755592 /nfs/dbraw/zinc/75/55/92/1133755592.db2.gz IMGYUWRYFLIRLK-UHFFFAOYSA-N 0 1 256.349 3.574 20 0 CHADMN Fc1cncc(F)c1CN1CCC[C@H]1C1CCCCC1 ZINC001206860135 1133756869 /nfs/dbraw/zinc/75/68/69/1133756869.db2.gz SMRICOAWEGDABD-INIZCTEOSA-N 0 1 280.362 3.905 20 0 CHADMN Cc1ccnc(CN2CCC(Sc3ccncc3)CC2)c1 ZINC001206853297 1133757202 /nfs/dbraw/zinc/75/72/02/1133757202.db2.gz QJLZDQKORNNGAF-UHFFFAOYSA-N 0 1 299.443 3.542 20 0 CHADMN Fc1cncc(F)c1CN1CCC[C@@H]2CCCC[C@H]21 ZINC001206861931 1133757741 /nfs/dbraw/zinc/75/77/41/1133757741.db2.gz CFNJUEGKJRVVDQ-XHDPSFHLSA-N 0 1 266.335 3.514 20 0 CHADMN C[C@@H]1Cc2cc(CN3CCC[C@@H](C(F)(F)F)C3)ccc2O1 ZINC001206990983 1133758105 /nfs/dbraw/zinc/75/81/05/1133758105.db2.gz JZOSCBAFNLZQEM-BXUZGUMPSA-N 0 1 299.336 3.784 20 0 CHADMN c1nc(CN2CCC[C@@H]2c2ccccc2)n2ccccc12 ZINC001207051649 1133763268 /nfs/dbraw/zinc/76/32/68/1133763268.db2.gz OLJZHUZVTLPSLH-QGZVFWFLSA-N 0 1 277.371 3.671 20 0 CHADMN CC[N@@H+](Cc1cnc(C)s1)Cc1ccc(F)cc1 ZINC001207061818 1133764817 /nfs/dbraw/zinc/76/48/17/1133764817.db2.gz NMPDKEJZRXOTBW-UHFFFAOYSA-N 0 1 264.369 3.613 20 0 CHADMN CCN(Cc1cnc(C)s1)Cc1ccc(F)cc1 ZINC001207061818 1133764828 /nfs/dbraw/zinc/76/48/28/1133764828.db2.gz NMPDKEJZRXOTBW-UHFFFAOYSA-N 0 1 264.369 3.613 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2c(F)cccc2OC(F)F)C1 ZINC001207117022 1133768360 /nfs/dbraw/zinc/76/83/60/1133768360.db2.gz BNRCDTRJMIFLMK-GHMZBOCLSA-N 0 1 287.325 3.905 20 0 CHADMN Cc1cncc(CN2CCC[C@@H](OCc3ccccc3)C2)c1 ZINC001207160729 1133773006 /nfs/dbraw/zinc/77/30/06/1133773006.db2.gz IVPKABZZVOIUSR-LJQANCHMSA-N 0 1 296.414 3.571 20 0 CHADMN C[C@@H](CCN(C)Cc1ccns1)c1ccccc1 ZINC001207166472 1133773407 /nfs/dbraw/zinc/77/34/07/1133773407.db2.gz CPYWCOMSMLFLGY-ZDUSSCGKSA-N 0 1 260.406 3.769 20 0 CHADMN CC(C)n1nccc1CN(C)CCc1ccccc1Cl ZINC001207174023 1133773445 /nfs/dbraw/zinc/77/34/45/1133773445.db2.gz XABNSWUTBCIMCT-UHFFFAOYSA-N 0 1 291.826 3.792 20 0 CHADMN COc1ccc2c(c1)C[N@H+](CCC1CCCCC1)C2 ZINC001207261756 1133783345 /nfs/dbraw/zinc/78/33/45/1133783345.db2.gz FTZGEYOJHPHZFR-UHFFFAOYSA-N 0 1 259.393 3.981 20 0 CHADMN CC1=CC[C@H](CC[N@H+]2Cc3cccnc3C2)C1(C)C ZINC001207267244 1133784116 /nfs/dbraw/zinc/78/41/16/1133784116.db2.gz CJAYCOGOEVNZSZ-OAHLLOKOSA-N 0 1 256.393 3.780 20 0 CHADMN CC1=CC[C@H](CCN2Cc3cccnc3C2)C1(C)C ZINC001207267244 1133784118 /nfs/dbraw/zinc/78/41/18/1133784118.db2.gz CJAYCOGOEVNZSZ-OAHLLOKOSA-N 0 1 256.393 3.780 20 0 CHADMN CC1=CC[C@H](CCN2CC(Oc3cccnc3)C2)C1(C)C ZINC001207278637 1133786428 /nfs/dbraw/zinc/78/64/28/1133786428.db2.gz HPBRRRFRZBAEMH-OAHLLOKOSA-N 0 1 286.419 3.527 20 0 CHADMN CC(C)(CN1CCO[C@H]2C[C@H]21)Sc1ccc(Cl)cc1 ZINC001207299697 1133789934 /nfs/dbraw/zinc/78/99/34/1133789934.db2.gz MYMQCSKEAWHSOT-KGLIPLIRSA-N 0 1 297.851 3.684 20 0 CHADMN Cc1cc([C@H]2CCCN2CC2CCC(F)(F)CC2)no1 ZINC001207344749 1133793489 /nfs/dbraw/zinc/79/34/89/1133793489.db2.gz SPLMQANGKTUQNJ-CQSZACIVSA-N 0 1 284.350 3.945 20 0 CHADMN COc1ccc2c(c1)CN(CC1CCC(F)(F)CC1)C2 ZINC001207346820 1133793951 /nfs/dbraw/zinc/79/39/51/1133793951.db2.gz BHGDNNFTSMUXPA-UHFFFAOYSA-N 0 1 281.346 3.836 20 0 CHADMN Cc1ccnc(CN[C@@H](C)c2nccc3ccccc32)c1 ZINC001207382210 1133797418 /nfs/dbraw/zinc/79/74/18/1133797418.db2.gz RJFHWPOLHDXOEM-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN Clc1cccc(CCN2CCC[C@H]2c2cnccn2)c1 ZINC001207422936 1133798913 /nfs/dbraw/zinc/79/89/13/1133798913.db2.gz OIMGDQXHPRZSPI-INIZCTEOSA-N 0 1 287.794 3.510 20 0 CHADMN CC[C@H](CN1CC(O)(c2ccc(F)cc2)C1)c1ccccc1 ZINC001207432566 1133801201 /nfs/dbraw/zinc/80/12/01/1133801201.db2.gz AOHOJUCQDYSYMU-OAHLLOKOSA-N 0 1 299.389 3.523 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2cc(F)cc(Br)c2)C1 ZINC000164945101 1133801919 /nfs/dbraw/zinc/80/19/19/1133801919.db2.gz FAVQMQPVHGOYFE-NXEZZACHSA-N 0 1 286.188 3.819 20 0 CHADMN CN(CCCF)Cc1ccc(Oc2ccccc2)o1 ZINC001207594974 1133827293 /nfs/dbraw/zinc/82/72/93/1133827293.db2.gz NTSCQHRDTPYTRR-UHFFFAOYSA-N 0 1 263.312 3.863 20 0 CHADMN COc1cccc2c1CN(CCCc1cccc(F)c1)C2 ZINC001207604618 1133828195 /nfs/dbraw/zinc/82/81/95/1133828195.db2.gz VEXMPWMFNDUHSZ-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN CSCc1ccc(CN2CCc3cc(O)ccc3C2)cc1 ZINC001207843498 1133852373 /nfs/dbraw/zinc/85/23/73/1133852373.db2.gz DQCNZXUQMKQBNP-UHFFFAOYSA-N 0 1 299.439 3.814 20 0 CHADMN C[C@@H]1C(=O)CC[N@@H+](CC2(c3ccccc3)CC2)C12CCCC2 ZINC001207840123 1133853764 /nfs/dbraw/zinc/85/37/64/1133853764.db2.gz DNIYNUWHXSUYJQ-MRXNPFEDSA-N 0 1 297.442 3.942 20 0 CHADMN Clc1ccc([C@H]2CCCN2C[C@@H]2CCCO2)s1 ZINC001207860972 1133855962 /nfs/dbraw/zinc/85/59/62/1133855962.db2.gz LCWZBNUQCPHBQU-WDEREUQCSA-N 0 1 271.813 3.717 20 0 CHADMN COC(=O)CN(C)C[C@H]1CC=C(CCC=C(C)C)CC1 ZINC001207936653 1133865115 /nfs/dbraw/zinc/86/51/15/1133865115.db2.gz BOPHWNUZAWQKNV-INIZCTEOSA-N 0 1 279.424 3.564 20 0 CHADMN Cc1ccc(CCCN2CCC[C@H]2c2cc(C)on2)o1 ZINC001207936948 1133866725 /nfs/dbraw/zinc/86/67/25/1133866725.db2.gz DZVHHIUOBATMLR-INIZCTEOSA-N 0 1 274.364 3.654 20 0 CHADMN CN(CCCn1cccn1)Cc1ccc(Cl)cc1Cl ZINC001208082196 1133875581 /nfs/dbraw/zinc/87/55/81/1133875581.db2.gz LOHUPSGAYCNELW-UHFFFAOYSA-N 0 1 298.217 3.712 20 0 CHADMN CC/C=C\CCCN1CCN(c2ncccc2Cl)CC1 ZINC001208139419 1133884005 /nfs/dbraw/zinc/88/40/05/1133884005.db2.gz ZWMFDVILZCKTME-ARJAWSKDSA-N 0 1 293.842 3.603 20 0 CHADMN Cc1ccc([C@@H](C)CCN2CCn3cccc3[C@H]2C)o1 ZINC001208165807 1133891997 /nfs/dbraw/zinc/89/19/97/1133891997.db2.gz HBLCTSNIMWYVOY-DZGCQCFKSA-N 0 1 272.392 3.960 20 0 CHADMN Cc1cc2c(cn1)CN(C[C@@H]1CCC(C)=C[C@@H]1C)C2 ZINC001208181406 1133901127 /nfs/dbraw/zinc/90/11/27/1133901127.db2.gz MCXNKOKPAGOSTG-ZFWWWQNUSA-N 0 1 256.393 3.698 20 0 CHADMN CCSC[C@H](C)N[C@@H](c1ccccc1)c1ccccn1 ZINC000166112319 1133914358 /nfs/dbraw/zinc/91/43/58/1133914358.db2.gz BUXVCPGSSWRKEY-YOEHRIQHSA-N 0 1 286.444 3.902 20 0 CHADMN CC(C)(CCN1CC(Oc2cccnc2)C1)c1ccccc1 ZINC001208665161 1133923624 /nfs/dbraw/zinc/92/36/24/1133923624.db2.gz CVXLNZSVEPEGMO-UHFFFAOYSA-N 0 1 296.414 3.513 20 0 CHADMN FC(F)(F)c1ccc2c(c1)CN(CCC1CC1)CC2 ZINC001208685246 1133927705 /nfs/dbraw/zinc/92/77/05/1133927705.db2.gz YYTQCIFKWYHGDJ-UHFFFAOYSA-N 0 1 269.310 3.864 20 0 CHADMN C[C@@H](CN1CCC(=O)[C@@H](F)CC1)c1cccc2ccccc21 ZINC001208703733 1133933200 /nfs/dbraw/zinc/93/32/00/1133933200.db2.gz FSANSPMINCNQNI-KSSFIOAISA-N 0 1 299.389 3.946 20 0 CHADMN Fc1cc(F)cc([C@H]2CCCN2C[C@H]2CCC=CO2)c1 ZINC001208884973 1133958229 /nfs/dbraw/zinc/95/82/29/1133958229.db2.gz GECOAVHYNMYMET-HZPDHXFCSA-N 0 1 279.330 3.794 20 0 CHADMN Fc1cc(F)cc(CCN2CCc3sccc3C2)c1 ZINC001209130180 1133979009 /nfs/dbraw/zinc/97/90/09/1133979009.db2.gz HMROFXCSGDDDGN-UHFFFAOYSA-N 0 1 279.355 3.627 20 0 CHADMN C[N@@H+](CCc1cc(F)cc(F)c1)Cc1ccc(F)cc1F ZINC001209133793 1133980425 /nfs/dbraw/zinc/98/04/25/1133980425.db2.gz UOSQBQIFRJHSAQ-UHFFFAOYSA-N 0 1 297.295 3.918 20 0 CHADMN CN(CCc1cc(F)cc(F)c1)Cc1ccc(F)cc1F ZINC001209133793 1133980431 /nfs/dbraw/zinc/98/04/31/1133980431.db2.gz UOSQBQIFRJHSAQ-UHFFFAOYSA-N 0 1 297.295 3.918 20 0 CHADMN Fc1cc(F)cc(CC[N@@H+](Cc2ccco2)C2CC2)c1 ZINC001209132856 1133981059 /nfs/dbraw/zinc/98/10/59/1133981059.db2.gz IYPPLLUQWDNJEV-UHFFFAOYSA-N 0 1 277.314 3.765 20 0 CHADMN CCN(CCCCOC)Cc1c(F)cccc1Cl ZINC001209219933 1133990200 /nfs/dbraw/zinc/99/02/00/1133990200.db2.gz RYHKYIYQILLIOS-UHFFFAOYSA-N 0 1 273.779 3.728 20 0 CHADMN CC(=O)c1ccc2c(c1)CN(CCc1cccs1)CC2 ZINC001209226517 1133991370 /nfs/dbraw/zinc/99/13/70/1133991370.db2.gz YFKIYOOEGWSRBN-UHFFFAOYSA-N 0 1 285.412 3.552 20 0 CHADMN CC/C=C\CCCCCCN1CCC(=O)[C@H](F)CC1 ZINC001209287372 1134001650 /nfs/dbraw/zinc/00/16/50/1134001650.db2.gz PTUKFCSHCJDXMY-ABCZVMIZSA-N 0 1 269.404 3.906 20 0 CHADMN O=C1CCN(Cc2ccc3cc[nH]c3c2)[C@H]2CCCC[C@H]12 ZINC001209507314 1134032060 /nfs/dbraw/zinc/03/20/60/1134032060.db2.gz IUMJKOUZCPUYLO-RDJZCZTQSA-N 0 1 282.387 3.502 20 0 CHADMN Cc1n[nH]cc1CN1CCCC[C@@H]1c1ccccc1F ZINC001209555925 1134036212 /nfs/dbraw/zinc/03/62/12/1134036212.db2.gz MTVCLOMTHVLIQB-MRXNPFEDSA-N 0 1 273.355 3.584 20 0 CHADMN Cn1nc(CN2CCC[C@@H]3CCCC[C@H]32)c2ccccc21 ZINC001209582577 1134038968 /nfs/dbraw/zinc/03/89/68/1134038968.db2.gz LPRMMRVSIJXYKB-WMLDXEAASA-N 0 1 283.419 3.728 20 0 CHADMN Cc1cc(Cl)ncc1CN1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001209631940 1134044553 /nfs/dbraw/zinc/04/45/53/1134044553.db2.gz RQDPEOQAKWVYNO-PHIMTYICSA-N 0 1 286.753 3.521 20 0 CHADMN COc1cc(CN2CCC(c3cccs3)CC2)ccn1 ZINC001209641764 1134045315 /nfs/dbraw/zinc/04/53/15/1134045315.db2.gz IAGJVAKXZUIPKU-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN COc1c(Cl)ccc(CN2C[C@@H](C)C[C@H](C)C2)c1F ZINC001209700963 1134050448 /nfs/dbraw/zinc/05/04/48/1134050448.db2.gz OZRKEADBWZEFNJ-QWRGUYRKSA-N 0 1 285.790 3.966 20 0 CHADMN CC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(OC)c1F ZINC001209698199 1134051469 /nfs/dbraw/zinc/05/14/69/1134051469.db2.gz AZKYHPQUAYMIRS-LLVKDONJSA-N 0 1 271.763 3.862 20 0 CHADMN FC1(F)C[C@@H]2C[N@@H+](Cc3cc4cc(Cl)ccc4[nH]3)C[C@@H]21 ZINC001209720778 1134053360 /nfs/dbraw/zinc/05/33/60/1134053360.db2.gz SPABDWWHOOFHSG-MFKMUULPSA-N 0 1 296.748 3.908 20 0 CHADMN FC(F)C1CCN(Cc2[nH]nc3ccc(Cl)cc32)CC1 ZINC001209759571 1134059842 /nfs/dbraw/zinc/05/98/42/1134059842.db2.gz QLENPCYVQLWVMO-UHFFFAOYSA-N 0 1 299.752 3.693 20 0 CHADMN CC[C@H]1CCCN(Cc2n[nH]c3ccc(Cl)cc32)C1 ZINC001209759537 1134060664 /nfs/dbraw/zinc/06/06/64/1134060664.db2.gz POZPWZCXWRPSRA-NSHDSACASA-N 0 1 277.799 3.838 20 0 CHADMN CC[C@H]1CCCN(Cc2[nH]nc3ccc(Cl)cc32)C1 ZINC001209759537 1134060672 /nfs/dbraw/zinc/06/06/72/1134060672.db2.gz POZPWZCXWRPSRA-NSHDSACASA-N 0 1 277.799 3.838 20 0 CHADMN COc1cccc(-c2cc(Nc3ncccc3F)on2)c1 ZINC001209804502 1134067569 /nfs/dbraw/zinc/06/75/69/1134067569.db2.gz ADEZUNFNMZUDOE-UHFFFAOYSA-N 0 1 285.278 3.628 20 0 CHADMN Fc1ccc(-c2cc(Nc3ncccc3F)on2)cc1 ZINC001209804748 1134067682 /nfs/dbraw/zinc/06/76/82/1134067682.db2.gz FTQSLVZHLQYOFG-UHFFFAOYSA-N 0 1 273.242 3.758 20 0 CHADMN CC(C)Oc1ccc(-n2c(N)nc3ccccc32)c(F)c1 ZINC001209832515 1134074290 /nfs/dbraw/zinc/07/42/90/1134074290.db2.gz JOCTUYUSKUMPOP-UHFFFAOYSA-N 0 1 285.322 3.534 20 0 CHADMN COc1ccc2cc(Nc3ccc4nc[nH]c4c3)cnc2c1 ZINC001209843431 1134077930 /nfs/dbraw/zinc/07/79/30/1134077930.db2.gz CKCCYXCERZBPEX-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN FC(F)(F)c1ccc(Nc2ccc3nc[nH]c3c2)nc1 ZINC001209841552 1134078131 /nfs/dbraw/zinc/07/81/31/1134078131.db2.gz UXJFRTQUAQIUBR-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN Oc1ccc2ncc(Nc3ccc4nc[nH]c4c3)cc2c1 ZINC001209844533 1134078169 /nfs/dbraw/zinc/07/81/69/1134078169.db2.gz OLSBGZJBFXWXIH-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN Fc1nc(F)c(Cl)c(Nc2ccc3nc[nH]c3c2)c1F ZINC001209842946 1134079433 /nfs/dbraw/zinc/07/94/33/1134079433.db2.gz RVTGTQLPQBZBSB-UHFFFAOYSA-N 0 1 298.655 3.772 20 0 CHADMN COc1cc(C)ccc1Nc1ccc2nc[nH]c2c1 ZINC001209846579 1134080211 /nfs/dbraw/zinc/08/02/11/1134080211.db2.gz GJPSALBLALSJTJ-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN COc1cc(Cl)ccc1Nc1ccc2nc[nH]c2c1 ZINC001209846377 1134081004 /nfs/dbraw/zinc/08/10/04/1134081004.db2.gz BEWGJSCGAGUCKG-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN CC1(C)Oc2ccc(Nc3ccc4nc[nH]c4c3)cc2O1 ZINC001209847590 1134081698 /nfs/dbraw/zinc/08/16/98/1134081698.db2.gz SMPAIJNNJBNPSL-UHFFFAOYSA-N 0 1 281.315 3.814 20 0 CHADMN c1nc2ccc(Nc3cccc4ncccc43)cc2[nH]1 ZINC001209848131 1134082331 /nfs/dbraw/zinc/08/23/31/1134082331.db2.gz IECUFVLNBJVXOQ-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN c1nc2ccc(Nc3cnccc3C3CCC3)cc2[nH]1 ZINC001209849155 1134083524 /nfs/dbraw/zinc/08/35/24/1134083524.db2.gz UYASRYTUYJZXFL-UHFFFAOYSA-N 0 1 264.332 3.969 20 0 CHADMN Cc1cc(Nc2ccc3nc[nH]c3c2)cc2snnc21 ZINC001209850640 1134083766 /nfs/dbraw/zinc/08/37/66/1134083766.db2.gz DDPPWQPHZJRUCO-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN FC(F)(F)Oc1ccc(Nc2ccc3nc[nH]c3c2)cn1 ZINC001209848365 1134083949 /nfs/dbraw/zinc/08/39/49/1134083949.db2.gz MJQAGINMWPBPPB-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN Nc1ccc(Nc2ccc3nc[nH]c3c2)c(C(F)(F)F)c1 ZINC001209848806 1134083983 /nfs/dbraw/zinc/08/39/83/1134083983.db2.gz RDRHYTBTJRIUBV-UHFFFAOYSA-N 0 1 292.264 3.908 20 0 CHADMN c1nc2ccc(Nc3cccc4cnccc43)cc2[nH]1 ZINC001209848537 1134084513 /nfs/dbraw/zinc/08/45/13/1134084513.db2.gz NRKZAFVXORYNMP-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN COc1cc(Cl)ccc1-n1c(N)nc2c1cccc2C ZINC001209904768 1134099017 /nfs/dbraw/zinc/09/90/17/1134099017.db2.gz PTBYRCFAQBJAQM-UHFFFAOYSA-N 0 1 287.750 3.578 20 0 CHADMN Cc1ccc(Br)cc1Nc1cnc(N)cc1C ZINC001209970535 1134112422 /nfs/dbraw/zinc/11/24/22/1134112422.db2.gz WTFYUGXPBHHXSY-UHFFFAOYSA-N 0 1 292.180 3.787 20 0 CHADMN Cc1cc(N)ncc1Nc1cnc2c(ccc(F)c2F)c1 ZINC001209966172 1134110947 /nfs/dbraw/zinc/11/09/47/1134110947.db2.gz CDAFPWWQYZFQES-UHFFFAOYSA-N 0 1 286.285 3.542 20 0 CHADMN Cc1cc(N)ncc1Nc1csc2ccccc12 ZINC001209968556 1134111081 /nfs/dbraw/zinc/11/10/81/1134111081.db2.gz VOVXHHXNRCVGJF-UHFFFAOYSA-N 0 1 255.346 3.931 20 0 CHADMN Cc1ccc2cccnc2c1Nc1cnc(N)cc1C ZINC001209967755 1134111231 /nfs/dbraw/zinc/11/12/31/1134111231.db2.gz RJCSQELHFAPMEW-UHFFFAOYSA-N 0 1 264.332 3.572 20 0 CHADMN Cc1cc(N)ncc1Nc1cncc(-c2ccccc2)c1 ZINC001209965213 1134111314 /nfs/dbraw/zinc/11/13/14/1134111314.db2.gz OYHGVSPWJRLKOS-UHFFFAOYSA-N 0 1 276.343 3.778 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(Cl)ccc1F ZINC001209968387 1134111487 /nfs/dbraw/zinc/11/14/87/1134111487.db2.gz YIUKUZCWMPHKLI-UHFFFAOYSA-N 0 1 251.692 3.508 20 0 CHADMN Cc1cc(Nc2cnc(N)cc2C)c(C)cc1Cl ZINC001209967888 1134111589 /nfs/dbraw/zinc/11/15/89/1134111589.db2.gz TUDVMWPOAHJJJH-UHFFFAOYSA-N 0 1 261.756 3.986 20 0 CHADMN CC(=O)c1ccc(Nc2cnc(N)cc2C)c(Cl)c1 ZINC001209971148 1134112189 /nfs/dbraw/zinc/11/21/89/1134112189.db2.gz RJIRYJPSKJUDCQ-UHFFFAOYSA-N 0 1 275.739 3.572 20 0 CHADMN CCOC(=O)c1cc(C)c(Nc2cnc(N)cc2C)c(C)c1 ZINC001209969850 1134112492 /nfs/dbraw/zinc/11/24/92/1134112492.db2.gz RPUAQLMEDZKVKO-UHFFFAOYSA-N 0 1 299.374 3.509 20 0 CHADMN Cc1cncc2cccc(Nc3cnc(N)cc3C)c12 ZINC001209969764 1134113025 /nfs/dbraw/zinc/11/30/25/1134113025.db2.gz PNZAAGPHKJIUOT-UHFFFAOYSA-N 0 1 264.332 3.572 20 0 CHADMN Cc1nc2ccc(F)cn2c1NC1=CCC(F)(F)CC1 ZINC001210031775 1134127258 /nfs/dbraw/zinc/12/72/58/1134127258.db2.gz BRMHVNMGISNEPT-UHFFFAOYSA-N 0 1 281.281 3.897 20 0 CHADMN Cc1cc(C)c(O)c(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210101149 1134145826 /nfs/dbraw/zinc/14/58/26/1134145826.db2.gz AEYZOMAIISZYLZ-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(C2CCC2)no1 ZINC001210100141 1134145961 /nfs/dbraw/zinc/14/59/61/1134145961.db2.gz GIPAFOZVYUBSNW-UHFFFAOYSA-N 0 1 268.320 3.870 20 0 CHADMN Cc1cc(Nc2cc3cn[nH]c3cc2C)n(CC2CCC2)n1 ZINC001210102738 1134146717 /nfs/dbraw/zinc/14/67/17/1134146717.db2.gz SSZIPAPQIVIWOW-UHFFFAOYSA-N 0 1 295.390 3.920 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2nccnc2c1 ZINC001210103219 1134147123 /nfs/dbraw/zinc/14/71/23/1134147123.db2.gz WBWPGECVXGENTR-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc(C2OCCO2)c1 ZINC001210105098 1134147680 /nfs/dbraw/zinc/14/76/80/1134147680.db2.gz KTZJBFLOEUXYFC-UHFFFAOYSA-N 0 1 295.342 3.660 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(Cl)c(F)cc1N ZINC001210103582 1134147935 /nfs/dbraw/zinc/14/79/35/1134147935.db2.gz XRJOOBGLSJQQSE-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN COc1ccc(F)c(F)c1Nc1cc2cn[nH]c2cc1C ZINC001210105346 1134148413 /nfs/dbraw/zinc/14/84/13/1134148413.db2.gz XMQKVQQFBILUAC-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(CO)cc1Cl ZINC001210105764 1134148689 /nfs/dbraw/zinc/14/86/89/1134148689.db2.gz GGWVRTLIUUHMJI-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2oc(=O)ccc2c1 ZINC001210106619 1134148951 /nfs/dbraw/zinc/14/89/51/1134148951.db2.gz VFUXYZTWCDUVDI-UHFFFAOYSA-N 0 1 291.310 3.721 20 0 CHADMN CC1(C)CC=C(Nc2ccnn2-c2ccncc2)CC1 ZINC001210165833 1134158527 /nfs/dbraw/zinc/15/85/27/1134158527.db2.gz KVKKWSVKQUMGBD-UHFFFAOYSA-N 0 1 268.364 3.773 20 0 CHADMN Cc1c(Cl)c(Cl)ccc1Nc1ccnc(CO)c1 ZINC001210460082 1134219795 /nfs/dbraw/zinc/21/97/95/1134219795.db2.gz JFXYKSSSPGWXSN-UHFFFAOYSA-N 0 1 283.158 3.933 20 0 CHADMN OCc1cc(Nc2ccccc2Cc2ccccc2)ccn1 ZINC001210628767 1134263908 /nfs/dbraw/zinc/26/39/08/1134263908.db2.gz MFEWZIIZTPCFOO-UHFFFAOYSA-N 0 1 290.366 3.908 20 0 CHADMN Fc1ccc2oc(Nc3ccnn3-c3ccncc3)cc2c1 ZINC001210727334 1134283306 /nfs/dbraw/zinc/28/33/06/1134283306.db2.gz GHSYUMBBGZQSRI-UHFFFAOYSA-N 0 1 294.289 3.896 20 0 CHADMN COc1ncccc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210922980 1134327629 /nfs/dbraw/zinc/32/76/29/1134327629.db2.gz GRULQDXALLMNQU-UHFFFAOYSA-N 0 1 285.130 3.846 20 0 CHADMN Oc1c(Cl)cc(Nc2nonc2C2CC2)cc1Cl ZINC001210926205 1134329449 /nfs/dbraw/zinc/32/94/49/1134329449.db2.gz GOLKZJSJWVJHIP-UHFFFAOYSA-N 0 1 286.118 3.703 20 0 CHADMN Cc1cnc(Nc2cc(Cl)c(O)c(Cl)c2)c(N)c1 ZINC001210924367 1134329750 /nfs/dbraw/zinc/32/97/50/1134329750.db2.gz KLVZAZOMPAHIHG-UHFFFAOYSA-N 0 1 284.146 3.728 20 0 CHADMN Cc1cncnc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210927267 1134329967 /nfs/dbraw/zinc/32/99/67/1134329967.db2.gz NYTIPAQXQZXPSI-UHFFFAOYSA-N 0 1 270.119 3.541 20 0 CHADMN Cn1cncc1Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC001211245986 1134398848 /nfs/dbraw/zinc/39/88/48/1134398848.db2.gz XHMCDKWNMDCYED-UHFFFAOYSA-N 0 1 295.390 3.647 20 0 CHADMN Cn1cncc1Nc1ccc(F)cc1-c1ccccc1 ZINC001211254750 1134399670 /nfs/dbraw/zinc/39/96/70/1134399670.db2.gz ZTHZDSSHVHIGDX-UHFFFAOYSA-N 0 1 267.307 3.970 20 0 CHADMN Cn1cncc1Nc1ccccc1NC(=O)OC(C)(C)C ZINC001211249796 1134400330 /nfs/dbraw/zinc/40/03/30/1134400330.db2.gz BKNOLNNDAGDREU-UHFFFAOYSA-N 0 1 288.351 3.511 20 0 CHADMN COc1cnccc1Nc1cc(Cl)ccc1Cl ZINC001211264161 1134400337 /nfs/dbraw/zinc/40/03/37/1134400337.db2.gz XOPQPXYAJZYNQB-UHFFFAOYSA-N 0 1 269.131 3.563 20 0 CHADMN Cn1cncc1Nc1cc(C(F)(F)F)cc2ncccc21 ZINC001211252406 1134400394 /nfs/dbraw/zinc/40/03/94/1134400394.db2.gz KGBGATGMJYPQFZ-UHFFFAOYSA-N 0 1 292.264 3.731 20 0 CHADMN COCc1ccc(-c2cc(F)c(O)cc2F)c(F)c1 ZINC001211360713 1134412621 /nfs/dbraw/zinc/41/26/21/1134412621.db2.gz VMNVRJFESSCDCK-UHFFFAOYSA-N 0 1 268.234 3.623 20 0 CHADMN CC(C)([NH3+])c1ccccc1-c1cc(F)c([O-])cc1F ZINC001211359394 1134412899 /nfs/dbraw/zinc/41/28/99/1134412899.db2.gz GGXGNDHRIPIFET-UHFFFAOYSA-N 0 1 263.287 3.531 20 0 CHADMN CC(=O)Nc1ccccc1Nc1ccc2[nH]c(C)nc2c1 ZINC001213074117 1134421865 /nfs/dbraw/zinc/42/18/65/1134421865.db2.gz DYHRYPJBYDVQLN-UHFFFAOYSA-N 0 1 280.331 3.573 20 0 CHADMN Cc1nc2ccc(Nc3cn(C4CCC4)cn3)cc2[nH]1 ZINC001213072133 1134421930 /nfs/dbraw/zinc/42/19/30/1134421930.db2.gz DTWFOIIECSJASG-UHFFFAOYSA-N 0 1 267.336 3.536 20 0 CHADMN Cc1nc2cc(N3CCCc4cc(N)ccc43)ccc2[nH]1 ZINC001213076199 1134422803 /nfs/dbraw/zinc/42/28/03/1134422803.db2.gz KUDWERQWNITXDB-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN CCc1ccc(Nc2ccc3[nH]c(C)nc3c2)c(O)c1 ZINC001213075604 1134423714 /nfs/dbraw/zinc/42/37/14/1134423714.db2.gz WWTVBBOQRQFSOH-UHFFFAOYSA-N 0 1 267.332 3.883 20 0 CHADMN CC(C)(C)c1cc(Nc2nccnc2Cl)ccn1 ZINC001213160768 1134433278 /nfs/dbraw/zinc/43/32/78/1134433278.db2.gz KRLQSTVLFZANKJ-UHFFFAOYSA-N 0 1 262.744 3.566 20 0 CHADMN Cc1c2ccc(N)cc2nn1-c1ccnc(C(C)(C)C)c1 ZINC001213168274 1134433879 /nfs/dbraw/zinc/43/38/79/1134433879.db2.gz CDFLUYXCIURSTR-UHFFFAOYSA-N 0 1 280.375 3.609 20 0 CHADMN Cc1cc2cc(Nc3ccnn3-c3ccncc3)ccc2[nH]1 ZINC001213790152 1134484768 /nfs/dbraw/zinc/48/47/68/1134484768.db2.gz XEJKYDFSFRSFJB-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cc(O)ccc1C ZINC001214345476 1134531566 /nfs/dbraw/zinc/53/15/66/1134531566.db2.gz LUEFRDUKHULZMX-UHFFFAOYSA-N 0 1 271.295 3.539 20 0 CHADMN Cc1cc(Nc2cccc(Cl)c2CO)c2ccccc2n1 ZINC001214641328 1134560890 /nfs/dbraw/zinc/56/08/90/1134560890.db2.gz LFNPOAKQGZMCDC-UHFFFAOYSA-N 0 1 298.773 3.854 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccn3ccnc3c2)c1F ZINC001214797641 1134573119 /nfs/dbraw/zinc/57/31/19/1134573119.db2.gz BSCGEGOLOYBJQS-UHFFFAOYSA-N 0 1 277.686 3.576 20 0 CHADMN Cc1cnc(Nc2ccc(Cl)c(O)c2F)c(Cl)n1 ZINC001214794082 1134573578 /nfs/dbraw/zinc/57/35/78/1134573578.db2.gz XZDKQHFNHDVBLR-UHFFFAOYSA-N 0 1 288.109 3.680 20 0 CHADMN CCOC(=O)c1occc1Nc1ccc(Cl)c(O)c1F ZINC001214796485 1134574389 /nfs/dbraw/zinc/57/43/89/1134574389.db2.gz XYITUODIZOUVGY-UHFFFAOYSA-N 0 1 299.685 3.698 20 0 CHADMN Cn1ncc2c1cccc2Nc1ccc(Cl)c(O)c1F ZINC001214801211 1134575555 /nfs/dbraw/zinc/57/55/55/1134575555.db2.gz DSGKFPZBTVAONS-UHFFFAOYSA-N 0 1 291.713 3.815 20 0 CHADMN Cc1ccc(CO)c(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214806932 1134576636 /nfs/dbraw/zinc/57/66/36/1134576636.db2.gz PFXKIRREYHKXNS-UHFFFAOYSA-N 0 1 281.714 3.729 20 0 CHADMN OCc1ccc(F)cc1Nc1ccc(Cl)c(O)c1F ZINC001214804800 1134576870 /nfs/dbraw/zinc/57/68/70/1134576870.db2.gz ZIMLPEXJMOBWKS-UHFFFAOYSA-N 0 1 285.677 3.560 20 0 CHADMN Cc1nsc(Nc2c(OC(C)C)ccc(F)c2F)n1 ZINC001215071798 1134596765 /nfs/dbraw/zinc/59/67/65/1134596765.db2.gz DBQCLIWVYWCWIZ-UHFFFAOYSA-N 0 1 285.319 3.656 20 0 CHADMN CC[C@@H]1CCCC[C@H]1C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000401465579 1134613918 /nfs/dbraw/zinc/61/39/18/1134613918.db2.gz XFFIIJBKAQEQDX-KGLIPLIRSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1cc(OC(C)C)ccc1N[C@@H]1CCCc2[nH]ncc21 ZINC000401578257 1134616727 /nfs/dbraw/zinc/61/67/27/1134616727.db2.gz CCCHKWSJNWFVCP-MRXNPFEDSA-N 0 1 285.391 3.995 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H]1CCCc2n[nH]cc21 ZINC000401634820 1134618020 /nfs/dbraw/zinc/61/80/20/1134618020.db2.gz DFRWSUGUYSEMHQ-ZBFHGGJFSA-N 0 1 299.418 3.992 20 0 CHADMN Cc1cc(Cl)ccc1N[C@H]1CCCc2[nH]ncc21 ZINC000401620895 1134618391 /nfs/dbraw/zinc/61/83/91/1134618391.db2.gz VUMRUGLTSRBDSP-ZDUSSCGKSA-N 0 1 261.756 3.861 20 0 CHADMN COCc1cc(C)c(Nc2ccc3nccn3c2)c(C)c1 ZINC001215528584 1134637555 /nfs/dbraw/zinc/63/75/55/1134637555.db2.gz BLRAQXKMTIWYHK-UHFFFAOYSA-N 0 1 281.359 3.841 20 0 CHADMN Fc1cc(Nc2ccc(C(F)(F)F)cn2)cc2[nH]ncc21 ZINC001215552197 1134639435 /nfs/dbraw/zinc/63/94/35/1134639435.db2.gz JHSYOJMNPXFOAK-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Oc1ccc2ncc(Nc3cc4[nH]ncc4c(F)c3)cc2c1 ZINC001215553927 1134639714 /nfs/dbraw/zinc/63/97/14/1134639714.db2.gz OPVOPILFVCZWDF-UHFFFAOYSA-N 0 1 294.289 3.699 20 0 CHADMN Fc1cc(Nc2cccc(-n3cccn3)c2)cc2[nH]ncc21 ZINC001215555065 1134640448 /nfs/dbraw/zinc/64/04/48/1134640448.db2.gz ARDZDMQVPDIECU-UHFFFAOYSA-N 0 1 293.305 3.631 20 0 CHADMN Oc1cc(Cl)ccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555249 1134640646 /nfs/dbraw/zinc/64/06/46/1134640646.db2.gz GCKZHKNHPZDTPR-UHFFFAOYSA-N 0 1 277.686 3.805 20 0 CHADMN Cc1c(F)cccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555269 1134641128 /nfs/dbraw/zinc/64/11/28/1134641128.db2.gz SCKBPOKKFJNRPN-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN CCCOc1ccc(C)c(-n2c(N)nc3ccccc32)c1 ZINC001215586983 1134649729 /nfs/dbraw/zinc/64/97/29/1134649729.db2.gz XMNISIDAVVLZPP-UHFFFAOYSA-N 0 1 281.359 3.705 20 0 CHADMN Cc1ccc(Nc2ncc(Cl)cc2F)c2cn[nH]c21 ZINC001215753924 1134673616 /nfs/dbraw/zinc/67/36/16/1134673616.db2.gz GHNURUQSANSQQL-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1ccc(Nc2nc3c(s2)CCC3)c2cn[nH]c21 ZINC001215753707 1134674030 /nfs/dbraw/zinc/67/40/30/1134674030.db2.gz BZNGVGKPWFTWKV-UHFFFAOYSA-N 0 1 270.361 3.560 20 0 CHADMN Cc1ccc(Nc2ccc(C)c3[nH]ncc32)c(Cl)n1 ZINC001215755261 1134674369 /nfs/dbraw/zinc/67/43/69/1134674369.db2.gz LNSBDQULQXZMAU-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1ccc(Nc2ccccc2-n2cccn2)c2cn[nH]c21 ZINC001215757036 1134674397 /nfs/dbraw/zinc/67/43/97/1134674397.db2.gz JESNVSYAVQSDDW-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1cnn(C2CCC2)c1Nc1ccc(C)c2[nH]ncc21 ZINC001215756580 1134674611 /nfs/dbraw/zinc/67/46/11/1134674611.db2.gz BLAAVZCORWDLTO-UHFFFAOYSA-N 0 1 281.363 3.845 20 0 CHADMN Cc1ccc(Nc2cc(C(C)(C)C)no2)c2cn[nH]c21 ZINC001215754952 1134674795 /nfs/dbraw/zinc/67/47/95/1134674795.db2.gz BPJPVGMRJFMMTL-UHFFFAOYSA-N 0 1 270.336 3.900 20 0 CHADMN Cc1ccc(Nc2ccc3nsnc3c2)c2cn[nH]c21 ZINC001215756958 1134675073 /nfs/dbraw/zinc/67/50/73/1134675073.db2.gz HQODPVZMLQWATG-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1ccc(Nc2c(Cl)ncc(C)c2N)c2cn[nH]c21 ZINC001215756423 1134675135 /nfs/dbraw/zinc/67/51/35/1134675135.db2.gz QBQGUFPVMQSVIK-UHFFFAOYSA-N 0 1 287.754 3.554 20 0 CHADMN CCc1cccc(Nc2ccc(C)c3[nH]ncc32)n1 ZINC001215755755 1134675311 /nfs/dbraw/zinc/67/53/11/1134675311.db2.gz ADVWWBASHKHZHJ-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN CC(=O)c1cc(Nc2ccc(C)c3[nH]ncc32)ccc1F ZINC001215758370 1134675823 /nfs/dbraw/zinc/67/58/23/1134675823.db2.gz RFOTUJIEJMUWTK-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN CCOc1ccc(N)cc1Nc1ccc(C)c2[nH]ncc21 ZINC001215758289 1134676087 /nfs/dbraw/zinc/67/60/87/1134676087.db2.gz OILCNNIENNUTEO-UHFFFAOYSA-N 0 1 282.347 3.596 20 0 CHADMN Cc1ccc(Nc2ccc3c(c2)CCO3)c2cn[nH]c21 ZINC001215758348 1134676471 /nfs/dbraw/zinc/67/64/71/1134676471.db2.gz QNSPYQBGJDRXND-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN Cc1ccc(Nc2cccc(N(C)C)c2)c2cn[nH]c21 ZINC001215759172 1134676963 /nfs/dbraw/zinc/67/69/63/1134676963.db2.gz IELBBHPHODLJPV-UHFFFAOYSA-N 0 1 266.348 3.681 20 0 CHADMN Cc1ccc(Nc2c(N)ccc(F)c2C)c2cn[nH]c21 ZINC001215758780 1134677239 /nfs/dbraw/zinc/67/72/39/1134677239.db2.gz FJMZUQMSGGHAAX-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN Cc1ccc(Nc2ccc3c(c2)OCC3)c2cn[nH]c21 ZINC001215759713 1134677272 /nfs/dbraw/zinc/67/72/72/1134677272.db2.gz RIHZEYJYBQQYNF-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN CC(=O)Oc1ccc(Nc2ccc(C)c3[nH]ncc32)cc1 ZINC001215759760 1134677299 /nfs/dbraw/zinc/67/72/99/1134677299.db2.gz UFAMMRGWOGTJSG-UHFFFAOYSA-N 0 1 281.315 3.540 20 0 CHADMN Cc1cc(-c2noc(-c3ccc(O)c(F)c3)n2)ccc1F ZINC001215792284 1134687255 /nfs/dbraw/zinc/68/72/55/1134687255.db2.gz NQOMEPPDRZOSDT-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN CCc1ccc(-c2noc(-c3ccc(O)c(F)c3)n2)cc1 ZINC001215792331 1134687531 /nfs/dbraw/zinc/68/75/31/1134687531.db2.gz PDIOBRAQTYRGTF-UHFFFAOYSA-N 0 1 284.290 3.811 20 0 CHADMN O=C1OCc2ccc(Nc3cc(Cl)cc4[nH]ncc43)cc21 ZINC001215859237 1134704478 /nfs/dbraw/zinc/70/44/78/1134704478.db2.gz JGPHRYIVKAXGOI-UHFFFAOYSA-N 0 1 299.717 3.630 20 0 CHADMN Cn1ncc2c1cccc2Nc1cc(Cl)cc2[nH]ncc21 ZINC001215860418 1134706099 /nfs/dbraw/zinc/70/60/99/1134706099.db2.gz AHGJHBRXLHMNHR-UHFFFAOYSA-N 0 1 297.749 3.847 20 0 CHADMN Oc1c(F)cccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC001215862725 1134706398 /nfs/dbraw/zinc/70/63/98/1134706398.db2.gz ASWPJWHXFBNCJF-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN CCOc1cc(C)ccc1-n1c(N)nc2ccc(C)cc21 ZINC001215874005 1134709729 /nfs/dbraw/zinc/70/97/29/1134709729.db2.gz MSADBUPDPRNDTK-UHFFFAOYSA-N 0 1 281.359 3.623 20 0 CHADMN CCOc1cc(C)ccc1Nc1ccc2nccn2c1 ZINC001215873823 1134709737 /nfs/dbraw/zinc/70/97/37/1134709737.db2.gz DHSANGNWHXSLMN-UHFFFAOYSA-N 0 1 267.332 3.785 20 0 CHADMN Cc1ccc(-n2c(N)nc3ccccc32)c(OC(C)C)c1 ZINC001215876972 1134711871 /nfs/dbraw/zinc/71/18/71/1134711871.db2.gz BOUUIHIMGSNMTD-UHFFFAOYSA-N 0 1 281.359 3.703 20 0 CHADMN COc1ccnc(Nc2ccc(N)c(C(C)C)c2)c1 ZINC001216042920 1134758311 /nfs/dbraw/zinc/75/83/11/1134758311.db2.gz KQWYDSVUHLMTPQ-UHFFFAOYSA-N 0 1 257.337 3.539 20 0 CHADMN Cc1nocc1NC1=CC[C@H](OC(=O)c2ccccc2)CC1 ZINC001216166718 1134794676 /nfs/dbraw/zinc/79/46/76/1134794676.db2.gz YNKVBUZGGUFLJT-HNNXBMFYSA-N 0 1 298.342 3.688 20 0 CHADMN Cc1cc(Nc2cccc(CN(C)C)c2F)n(C(C)C)n1 ZINC001216227832 1134812583 /nfs/dbraw/zinc/81/25/83/1134812583.db2.gz RDKSLQMEBIWRTB-UHFFFAOYSA-N 0 1 290.386 3.717 20 0 CHADMN Cc1cccc(Nc2cccc(CN(C)C)c2F)c1O ZINC001216231103 1134814151 /nfs/dbraw/zinc/81/41/51/1134814151.db2.gz RUTTZFXYITYDJA-UHFFFAOYSA-N 0 1 274.339 3.645 20 0 CHADMN COc1cccc(C)c1Nc1cccc(CN(C)C)c1F ZINC001216231028 1134815395 /nfs/dbraw/zinc/81/53/95/1134815395.db2.gz OGXFZLKGZWCHSQ-UHFFFAOYSA-N 0 1 288.366 3.948 20 0 CHADMN COc1cc(Nc2cccc(CN(C)C)c2F)ccc1F ZINC001216230932 1134816033 /nfs/dbraw/zinc/81/60/33/1134816033.db2.gz JGMSBKHMHPCQJP-UHFFFAOYSA-N 0 1 292.329 3.779 20 0 CHADMN COc1cc(F)cc(Nc2cccc(CN(C)C)c2F)c1 ZINC001216233193 1134816818 /nfs/dbraw/zinc/81/68/18/1134816818.db2.gz YJVHEIYPQHTIFD-UHFFFAOYSA-N 0 1 292.329 3.779 20 0 CHADMN Cc1cc(O)cc(Nc2cccc(CN(C)C)c2F)c1 ZINC001216232993 1134817478 /nfs/dbraw/zinc/81/74/78/1134817478.db2.gz STLVNMFGCKKDMQ-UHFFFAOYSA-N 0 1 274.339 3.645 20 0 CHADMN Nc1cncn1-c1ccc(Oc2ccccc2)cc1Cl ZINC001216237089 1134818644 /nfs/dbraw/zinc/81/86/44/1134818644.db2.gz IOJUUYYDVUYFPQ-UHFFFAOYSA-N 0 1 285.734 3.900 20 0 CHADMN CCOc1ccc(C)c(-n2c(N)nc3ccc(C)cc32)c1 ZINC001216236292 1134819305 /nfs/dbraw/zinc/81/93/05/1134819305.db2.gz WGYNRCVGYQWACM-UHFFFAOYSA-N 0 1 281.359 3.623 20 0 CHADMN COC(=O)c1ncsc1Nc1cc2c(cccc2F)o1 ZINC001216291265 1134837884 /nfs/dbraw/zinc/83/78/84/1134837884.db2.gz IKQCTHNYQCFBBU-UHFFFAOYSA-N 0 1 292.291 3.559 20 0 CHADMN Cc1ccc2nc(N)n(-c3cc4c(cccc4F)o3)c2c1 ZINC001216291409 1134837918 /nfs/dbraw/zinc/83/79/18/1134837918.db2.gz IEYUZBAXMZHTMT-UHFFFAOYSA-N 0 1 281.290 3.801 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1c(C)c(F)ccc1F ZINC001216342566 1134863616 /nfs/dbraw/zinc/86/36/16/1134863616.db2.gz DAXWWXZCOPDNQG-UHFFFAOYSA-N 0 1 273.286 3.503 20 0 CHADMN COc1cc(C)c(C)cc1-n1c(N)nc2c1cccc2C ZINC001216373071 1134871320 /nfs/dbraw/zinc/87/13/20/1134871320.db2.gz YAXFICJVGYIPEK-UHFFFAOYSA-N 0 1 281.359 3.542 20 0 CHADMN Clc1cccnc1Nc1cncn1Cc1ccccc1 ZINC001216549474 1134917484 /nfs/dbraw/zinc/91/74/84/1134917484.db2.gz IYWADYAAXJSTOJ-UHFFFAOYSA-N 0 1 284.750 3.723 20 0 CHADMN COc1cccc(F)c1Nc1cncn1Cc1ccccc1 ZINC001216553926 1134919657 /nfs/dbraw/zinc/91/96/57/1134919657.db2.gz XPPHCHXABRIBPJ-UHFFFAOYSA-N 0 1 297.333 3.823 20 0 CHADMN Cc1c(O)cccc1Nc1cncn1Cc1ccccc1 ZINC001216553182 1134919958 /nfs/dbraw/zinc/91/99/58/1134919958.db2.gz IHBSHMJRGXZGAO-UHFFFAOYSA-N 0 1 279.343 3.689 20 0 CHADMN COc1cccc(Nc2cncn2Cc2ccccc2)c1F ZINC001216553820 1134920558 /nfs/dbraw/zinc/92/05/58/1134920558.db2.gz OLSKOAAFSHZLAF-UHFFFAOYSA-N 0 1 297.333 3.823 20 0 CHADMN Cc1cc(N)c(Nc2cncn2Cc2ccccc2)cc1F ZINC001216553817 1134920683 /nfs/dbraw/zinc/92/06/83/1134920683.db2.gz OLHLBJUXKGBTAY-UHFFFAOYSA-N 0 1 296.349 3.705 20 0 CHADMN c1cn2cc(Nc3ccnc(OCC4CCC4)c3)ccc2n1 ZINC001216592959 1134927377 /nfs/dbraw/zinc/92/73/77/1134927377.db2.gz GRJCVHCMKAJIED-UHFFFAOYSA-N 0 1 294.358 3.652 20 0 CHADMN OCc1cc(Nc2ccc3c(c2)Cc2ccccc2-3)ccn1 ZINC001216643826 1134938608 /nfs/dbraw/zinc/93/86/08/1134938608.db2.gz AMEZSKLDSDGYGQ-UHFFFAOYSA-N 0 1 288.350 3.889 20 0 CHADMN CC(C)(C)c1ccc(CNCc2ccns2)s1 ZINC000404263255 1134945088 /nfs/dbraw/zinc/94/50/88/1134945088.db2.gz FOTHDTSQFSWRDX-UHFFFAOYSA-N 0 1 266.435 3.792 20 0 CHADMN Cc1ccc(-c2noc(-c3cnc4[nH]cccc3-4)n2)cc1C ZINC001217145911 1134965907 /nfs/dbraw/zinc/96/59/07/1134965907.db2.gz PLINADMYXXUOFC-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Clc1ccc2nc(-c3nc(-c4ccccc4)no3)[nH]c2c1 ZINC001217256922 1134968992 /nfs/dbraw/zinc/96/89/92/1134968992.db2.gz IBZFNOJUBSBMAM-UHFFFAOYSA-N 0 1 296.717 3.933 20 0 CHADMN Cc1cccc(-c2noc(-c3n[nH]c4c3cccc4F)n2)c1 ZINC001217322975 1134970808 /nfs/dbraw/zinc/97/08/08/1134970808.db2.gz KTYGCJQYXNFJSZ-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1ccc(-c2noc(-c3cc4cccnc4[nH]3)n2)c(C)c1 ZINC001217307705 1134972075 /nfs/dbraw/zinc/97/20/75/1134972075.db2.gz ISOMTINKFYBZHX-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Cc1ccc(-c2noc(-c3nc4cccc(C)c4[nH]3)n2)cc1 ZINC001217335604 1134973064 /nfs/dbraw/zinc/97/30/64/1134973064.db2.gz FWLXKBIUVOWBFU-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Clc1cccc2c1n[nH]c2-c1nc(-c2ccccc2)no1 ZINC001217408617 1134975954 /nfs/dbraw/zinc/97/59/54/1134975954.db2.gz UNFTTXBNANSLTR-UHFFFAOYSA-N 0 1 296.717 3.933 20 0 CHADMN Clc1ccccc1-c1noc(-c2cccc3cncn32)n1 ZINC001217589956 1134985595 /nfs/dbraw/zinc/98/55/95/1134985595.db2.gz JBCJFMCTPAJZRV-UHFFFAOYSA-N 0 1 296.717 3.705 20 0 CHADMN CC(C)c1ccc(-c2nnc(C[C@@H](N)c3ccco3)o2)cc1 ZINC001217693003 1134986784 /nfs/dbraw/zinc/98/67/84/1134986784.db2.gz NYSARXNBNCTJBF-CQSZACIVSA-N 0 1 297.358 3.696 20 0 CHADMN C[C@H]1CC[C@@H](c2nnc(CCC3CCCCC3)o2)NC1 ZINC001217701263 1134987821 /nfs/dbraw/zinc/98/78/21/1134987821.db2.gz CNIDGGYVZMNSMI-JSGCOSHPSA-N 0 1 277.412 3.643 20 0 CHADMN CC(C)c1ccc(-c2nnc([C@H]3C[C@H](C)CCN3)o2)cc1 ZINC001217703438 1134989503 /nfs/dbraw/zinc/98/95/03/1134989503.db2.gz VCWYRXRIQGXIKF-IUODEOHRSA-N 0 1 285.391 3.921 20 0 CHADMN CN[C@H](c1nnc(-c2cccc(Cl)c2)o1)C(C)(C)C ZINC001217737370 1134994104 /nfs/dbraw/zinc/99/41/04/1134994104.db2.gz WXXVAGQUHNLLOD-LLVKDONJSA-N 0 1 279.771 3.697 20 0 CHADMN CC1(C)C[C@@H](Oc2cc([O-])c(Cl)cc2Cl)CC[NH2+]1 ZINC001218478461 1135112838 /nfs/dbraw/zinc/11/28/38/1135112838.db2.gz YMVVPBYPTOZELD-QMMMGPOBSA-N 0 1 290.190 3.608 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)[C@H]2NCc3ccccc32)cc1 ZINC001218808698 1135119879 /nfs/dbraw/zinc/11/98/79/1135119879.db2.gz JFWGPZFRTWILDB-ACJLOTCBSA-N 0 1 294.398 3.983 20 0 CHADMN COc1cccc2cc(CN[C@@H](C)c3cccc(O)c3)oc21 ZINC000315262774 1135152333 /nfs/dbraw/zinc/15/23/33/1135152333.db2.gz XNYCWRJWMLESPI-LBPRGKRZSA-N 0 1 297.354 3.998 20 0 CHADMN N[C@H](C(=O)NCCCCC1CCCCC1)c1ccccc1 ZINC001221328906 1135172879 /nfs/dbraw/zinc/17/28/79/1135172879.db2.gz JDYPYOIWXQSUJW-KRWDZBQOSA-N 0 1 288.435 3.553 20 0 CHADMN Cc1ccc(OC(C)C)cc1-c1cc2[nH]cnc2cn1 ZINC001222132591 1135197402 /nfs/dbraw/zinc/19/74/02/1135197402.db2.gz LYOGUPMNDNXSJY-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN CCCCCCc1ccc(-c2ncc3c(n2)CNC3)cc1 ZINC001222241804 1135213436 /nfs/dbraw/zinc/21/34/36/1135213436.db2.gz PEOANUFWQJSNSC-UHFFFAOYSA-N 0 1 281.403 3.870 20 0 CHADMN CCCCCCc1ccc(-c2cc3c(nn2)CNC3)cc1 ZINC001222241463 1135213775 /nfs/dbraw/zinc/21/37/75/1135213775.db2.gz ISMVMYJFYKKYOF-UHFFFAOYSA-N 0 1 281.403 3.870 20 0 CHADMN OCc1c(Cl)ccc(-c2ccc3[nH]cnc3c2)c1F ZINC001222344108 1135229950 /nfs/dbraw/zinc/22/99/50/1135229950.db2.gz QGURSVWZJMHADL-UHFFFAOYSA-N 0 1 276.698 3.515 20 0 CHADMN Cc1nc2cccc(-c3ccc(Cl)c(CO)c3F)c2[nH]1 ZINC001222354990 1135230719 /nfs/dbraw/zinc/23/07/19/1135230719.db2.gz HXBSTZXNWIMOCS-UHFFFAOYSA-N 0 1 290.725 3.823 20 0 CHADMN Cn1cc(-c2cccc3nc[nH]c32)c(-c2ccccc2)n1 ZINC001222530164 1135249298 /nfs/dbraw/zinc/24/92/98/1135249298.db2.gz SKRVQJMEICRLBH-UHFFFAOYSA-N 0 1 274.327 3.630 20 0 CHADMN Cc1nc2cc(-c3cn(C)nc3-c3ccccc3)ccc2[nH]1 ZINC001222530201 1135249363 /nfs/dbraw/zinc/24/93/63/1135249363.db2.gz UPANBYYSKHZAKP-UHFFFAOYSA-N 0 1 288.354 3.939 20 0 CHADMN Fc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC001225315377 1135541526 /nfs/dbraw/zinc/54/15/26/1135541526.db2.gz PPHONYIHNGGPHT-OAHLLOKOSA-N 0 1 289.325 3.618 20 0 CHADMN CC[N@H+]1CCC[C@@H](Oc2cccc(C(F)(F)F)c2F)C1 ZINC001225923921 1135639337 /nfs/dbraw/zinc/63/93/37/1135639337.db2.gz JNFCVPRJDCBCIW-SNVBAGLBSA-N 0 1 291.288 3.708 20 0 CHADMN Cc1ccc([C@@H](C)Oc2nc(C(F)(F)F)cc(=O)[nH]2)cc1 ZINC001225976798 1135646920 /nfs/dbraw/zinc/64/69/20/1135646920.db2.gz CNMYQVPFOWLCJP-SECBINFHSA-N 0 1 298.264 3.649 20 0 CHADMN C[C@@H](Oc1n[nH]c2ncccc12)c1cccc(Cl)c1 ZINC001226301815 1135682094 /nfs/dbraw/zinc/68/20/94/1135682094.db2.gz FZFVHHNARDPDOD-SECBINFHSA-N 0 1 273.723 3.751 20 0 CHADMN Cc1ccc([C@H](C)Oc2n[nH]c3ncccc23)c(C)c1 ZINC001226301476 1135682129 /nfs/dbraw/zinc/68/21/29/1135682129.db2.gz AUGPETGXDBBQCC-LBPRGKRZSA-N 0 1 267.332 3.715 20 0 CHADMN C/C=C/[C@@H](Oc1n[nH]c2ncccc12)C1CCCCC1 ZINC001226302510 1135682680 /nfs/dbraw/zinc/68/26/80/1135682680.db2.gz LLEKBRDENGAYMJ-VXTUICGHSA-N 0 1 271.364 3.862 20 0 CHADMN Clc1ccc2c(c1)[C@H](Oc1n[nH]c3ncccc13)CC2 ZINC001226305085 1135682785 /nfs/dbraw/zinc/68/27/85/1135682785.db2.gz GZUFTEXGMJEWKT-CYBMUJFWSA-N 0 1 285.734 3.678 20 0 CHADMN Cc1cnc(F)c([C@@H](C)Oc2cc(N)nc3ccccc32)c1 ZINC001226423478 1135695974 /nfs/dbraw/zinc/69/59/74/1135695974.db2.gz XYJOXUJRNFJYKN-LLVKDONJSA-N 0 1 297.333 3.800 20 0 CHADMN Cc1ccc2nc(O[C@@H](C)c3ncccc3F)[nH]c2c1 ZINC001226509718 1135705498 /nfs/dbraw/zinc/70/54/98/1135705498.db2.gz XMXMBCAWRDRFFN-JTQLQIEISA-N 0 1 271.295 3.545 20 0 CHADMN Fc1ccc2nc(O[C@H](c3cccnc3)C3CC3)[nH]c2c1 ZINC001226700958 1135730207 /nfs/dbraw/zinc/73/02/07/1135730207.db2.gz HUYALJVOFODCSO-HNNXBMFYSA-N 0 1 283.306 3.627 20 0 CHADMN C[C@H](COc1nc2ccc(F)cc2[nH]1)Oc1ccccc1 ZINC001226704260 1135731436 /nfs/dbraw/zinc/73/14/36/1135731436.db2.gz IZPBVGCAZRSODM-LLVKDONJSA-N 0 1 286.306 3.548 20 0 CHADMN C[C@H](Oc1nc2ccc(F)cc2[nH]1)c1ccc(F)cc1 ZINC001226701776 1135731961 /nfs/dbraw/zinc/73/19/61/1135731961.db2.gz VBCDQMBYBWFCRD-VIFPVBQESA-N 0 1 274.270 3.981 20 0 CHADMN C[C@@H](COc1ccc2nc[nH]c2c1)OCc1ccccc1 ZINC001226928534 1135761582 /nfs/dbraw/zinc/76/15/82/1135761582.db2.gz NICOJKYMKDPOBP-ZDUSSCGKSA-N 0 1 282.343 3.547 20 0 CHADMN COc1ccc(OC)c([C@@H](C)Oc2ccc3nc[nH]c3c2)c1 ZINC001226927766 1135761981 /nfs/dbraw/zinc/76/19/81/1135761981.db2.gz AUYZSVALHJTALE-LLVKDONJSA-N 0 1 298.342 3.720 20 0 CHADMN CC1(C)C[C@H](Oc2nc3ccc(Cl)cc3[nH]2)CCO1 ZINC001227261964 1135811431 /nfs/dbraw/zinc/81/14/31/1135811431.db2.gz ICMYXOXRFLDPNQ-SNVBAGLBSA-N 0 1 280.755 3.553 20 0 CHADMN Cc1cnc(F)c([C@H](C)Oc2nc3cccc(C)c3[nH]2)c1 ZINC001227267303 1135812601 /nfs/dbraw/zinc/81/26/01/1135812601.db2.gz AZFXQDIZJRUSBR-NSHDSACASA-N 0 1 285.322 3.854 20 0 CHADMN FC1(F)CC[C@@H](Oc2nc3ccc(Cl)cc3[nH]2)C1 ZINC001227266962 1135812876 /nfs/dbraw/zinc/81/28/76/1135812876.db2.gz VWQUAGBRSBXMGH-MRVPVSSYSA-N 0 1 272.682 3.783 20 0 CHADMN Cc1ccc2nc(=O)[nH]c(O[C@@H](C)c3ccc(F)cc3)c2c1 ZINC001227348568 1135823598 /nfs/dbraw/zinc/82/35/98/1135823598.db2.gz ZMTKGCMZXCQCCL-NSHDSACASA-N 0 1 298.317 3.923 20 0 CHADMN CC[C@]1(C)CCN([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000344278540 529401121 /nfs/dbraw/zinc/40/11/21/529401121.db2.gz VERJSISEOWGUQH-MAUKXSAKSA-N 0 1 288.435 3.752 20 0 CHADMN CC[C@H](NCc1cc(OC)cc(C)n1)c1ccc(C)cc1 ZINC000347695271 529624257 /nfs/dbraw/zinc/62/42/57/529624257.db2.gz YOKFYJCRXZQUMY-SFHVURJKSA-N 0 1 284.403 3.948 20 0 CHADMN CCc1ccc(CN2Cc3ccccc3C[C@@H]2C)cn1 ZINC000347875775 529645802 /nfs/dbraw/zinc/64/58/02/529645802.db2.gz KAFIYDAIEOBGRF-AWEZNQCLSA-N 0 1 266.388 3.591 20 0 CHADMN CC[C@H](C)CCC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000351641334 529646247 /nfs/dbraw/zinc/64/62/47/529646247.db2.gz NFPDVKSDEBQDDR-LSDHHAIUSA-N 0 1 294.439 3.605 20 0 CHADMN CCc1ccc(CNCc2ccccc2N(C)C(C)C)cn1 ZINC000352735466 529653176 /nfs/dbraw/zinc/65/31/76/529653176.db2.gz CCRJTBQKYGAUNV-UHFFFAOYSA-N 0 1 297.446 3.778 20 0 CHADMN CCc1ccc(CNCc2ccc(OC)c(Cl)c2)cn1 ZINC000352765604 529653814 /nfs/dbraw/zinc/65/38/14/529653814.db2.gz PSIUXRWSCIVGSC-UHFFFAOYSA-N 0 1 290.794 3.596 20 0 CHADMN CCc1ccc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)cn1 ZINC000352778148 529657692 /nfs/dbraw/zinc/65/76/92/529657692.db2.gz GBKQGRPGXZYBFU-RBUKOAKNSA-N 0 1 296.414 3.654 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@@H](C)c1cc(C)ccn1 ZINC000353631764 529682155 /nfs/dbraw/zinc/68/21/55/529682155.db2.gz MTQLZQMEXNGORE-KBPBESRZSA-N 0 1 269.392 3.759 20 0 CHADMN F[C@H]1CCC[C@H]1NCc1ccccc1OC1CCCC1 ZINC000573463917 334940134 /nfs/dbraw/zinc/94/01/34/334940134.db2.gz QOGBMXYCEMXHKW-JKSUJKDBSA-N 0 1 277.383 3.988 20 0 CHADMN CCc1nc(CN2CCC[C@H](CC)CC2)cs1 ZINC000353710153 529736076 /nfs/dbraw/zinc/73/60/76/529736076.db2.gz LOYNKUZGASQJEU-LBPRGKRZSA-N 0 1 252.427 3.718 20 0 CHADMN CCc1nc(CN2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)n[nH]1 ZINC000354837538 529736220 /nfs/dbraw/zinc/73/62/20/529736220.db2.gz OXCAHWJQUXBYHP-RDTXWAMCSA-N 0 1 298.434 3.649 20 0 CHADMN C[C@H](Sc1nc(C2CC2)n[nH]1)c1c(F)cccc1F ZINC000128122299 187353212 /nfs/dbraw/zinc/35/32/12/187353212.db2.gz YRWRPXANTYSNBT-ZETCQYMHSA-N 0 1 281.331 3.814 20 0 CHADMN C[C@H](Sc1n[nH]c(C2CC2)n1)c1c(F)cccc1F ZINC000128122299 187353213 /nfs/dbraw/zinc/35/32/13/187353213.db2.gz YRWRPXANTYSNBT-ZETCQYMHSA-N 0 1 281.331 3.814 20 0 CHADMN CN(Cc1cccnc1)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000350443343 530006614 /nfs/dbraw/zinc/00/66/14/530006614.db2.gz ATVMPOCDEXODIT-UHFFFAOYSA-N 0 1 296.414 3.817 20 0 CHADMN CN(Cc1cn2ccsc2n1)[C@H]1CCc2ccccc21 ZINC000352747215 530015272 /nfs/dbraw/zinc/01/52/72/530015272.db2.gz DETKDIIQXRAFSF-HNNXBMFYSA-N 0 1 283.400 3.515 20 0 CHADMN CC[C@@H](F)CN[C@H](C)c1ccccc1OC(C)C ZINC000573766205 334964465 /nfs/dbraw/zinc/96/44/65/334964465.db2.gz RZJARRVPXAVLGD-CHWSQXEVSA-N 0 1 253.361 3.873 20 0 CHADMN CC[C@@H](C)CN1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000409445373 260403223 /nfs/dbraw/zinc/40/32/23/260403223.db2.gz UPDLZYNVVOMDRX-IUODEOHRSA-N 0 1 267.800 3.759 20 0 CHADMN Cc1cnc(CN[C@@H](c2ccccc2)C(C)C)s1 ZINC000093158260 260511768 /nfs/dbraw/zinc/51/17/68/260511768.db2.gz NWLUAVDCTSJJSN-OAHLLOKOSA-N 0 1 260.406 3.938 20 0 CHADMN Cc1cc(CNCc2ccc3c(n2)CCCC3)cs1 ZINC000296829680 370692180 /nfs/dbraw/zinc/69/21/80/370692180.db2.gz NRXRDJXJHNGYPF-UHFFFAOYSA-N 0 1 272.417 3.620 20 0 CHADMN CC[N@@H+](CCCCOC(C)(C)C)C1CCC(C(=O)[O-])CC1 ZINC000574220311 335002186 /nfs/dbraw/zinc/00/21/86/335002186.db2.gz FQSZELDAOVAKPI-UHFFFAOYSA-N 0 1 299.455 3.547 20 0 CHADMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cnc(C2CC2)s1 ZINC000574240826 335003603 /nfs/dbraw/zinc/00/36/03/335003603.db2.gz QENBEAVONNUANS-ZYHUDNBSSA-N 0 1 250.411 3.783 20 0 CHADMN Cc1oc([C@@H](C)[N@H+]2CC[C@H](CC(C)C)C2)cc1C(=O)[O-] ZINC000574285030 335007102 /nfs/dbraw/zinc/00/71/02/335007102.db2.gz ZSABXPVVWZUPJS-DGCLKSJQSA-N 0 1 279.380 3.715 20 0 CHADMN C[C@@H]1CC(C)(C)C[N@H+]1Cc1c(Cl)cccc1C(=O)[O-] ZINC000574525265 335026903 /nfs/dbraw/zinc/02/69/03/335026903.db2.gz NPVZHCSNACSVNE-SNVBAGLBSA-N 0 1 281.783 3.659 20 0 CHADMN Cc1nsc(C)c1CN1CC[C@@H](CC(F)(F)F)C1 ZINC000574581406 335031558 /nfs/dbraw/zinc/03/15/58/335031558.db2.gz JWOFOTFPHANEFX-JTQLQIEISA-N 0 1 278.343 3.534 20 0 CHADMN COc1ccc(F)c(CNCc2cc3ccccc3[nH]2)c1 ZINC000574654842 335037968 /nfs/dbraw/zinc/03/79/68/335037968.db2.gz JRVVUMSOFSYQIL-UHFFFAOYSA-N 0 1 284.334 3.605 20 0 CHADMN COc1cc(Cl)ccc1CN[C@@H](C)c1cncc(C)c1 ZINC000184350831 262017546 /nfs/dbraw/zinc/01/75/46/262017546.db2.gz LFBKWAZQIMHIOS-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CSc1ccc(CN[C@@H](C)c2cccnc2)s1 ZINC000352844025 532959835 /nfs/dbraw/zinc/95/98/35/532959835.db2.gz DTVYYZRFIGGMBJ-JTQLQIEISA-N 0 1 264.419 3.716 20 0 CHADMN COc1ccnc(CN[C@H](C)c2c(C)cccc2C)c1 ZINC000355035756 533057874 /nfs/dbraw/zinc/05/78/74/533057874.db2.gz IFDXLKANYNSODK-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](C)c2ccsc2)ccn1 ZINC000348680065 533118491 /nfs/dbraw/zinc/11/84/91/533118491.db2.gz JKGRKFFSMGRRCR-MNOVXSKESA-N 0 1 262.378 3.564 20 0 CHADMN Cc1sccc1CNCc1ccc(F)cc1F ZINC000310424441 262157265 /nfs/dbraw/zinc/15/72/65/262157265.db2.gz RGBNIULEFLSADO-UHFFFAOYSA-N 0 1 253.317 3.625 20 0 CHADMN CC(C)(NCc1cncnc1)c1ccc(Cl)c(Cl)c1 ZINC000171133387 335056251 /nfs/dbraw/zinc/05/62/51/335056251.db2.gz KCBVMPPCVBAJNY-UHFFFAOYSA-N 0 1 296.201 3.808 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CCC[C@H](OC)C1 ZINC000172533845 260015642 /nfs/dbraw/zinc/01/56/42/260015642.db2.gz PIKQCOWJDHAWMG-WFASDCNBSA-N 0 1 269.335 3.527 20 0 CHADMN COc1ccc(C)cc1CN(C)[C@H](C)c1ccncc1 ZINC000354783508 533385171 /nfs/dbraw/zinc/38/51/71/533385171.db2.gz GRWOGFGZNKOVRT-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN COc1c(O)cccc1CN[C@@H]1CCCc2sccc21 ZINC000344920213 533445309 /nfs/dbraw/zinc/44/53/09/533445309.db2.gz DKOHIQMVCMAQRQ-CYBMUJFWSA-N 0 1 289.400 3.630 20 0 CHADMN C[C@@H](NCc1ccc2cc[nH]c2n1)c1cc(F)cc(F)c1 ZINC000353624341 533451629 /nfs/dbraw/zinc/45/16/29/533451629.db2.gz DKXBVCQJUSKUEF-SNVBAGLBSA-N 0 1 287.313 3.692 20 0 CHADMN COc1c(O)cccc1CN(Cc1ccccc1)C(C)C ZINC000352729659 533442516 /nfs/dbraw/zinc/44/25/16/533442516.db2.gz AKBCSIRBCDESLP-UHFFFAOYSA-N 0 1 285.387 3.811 20 0 CHADMN COc1cccc(CN2CCC23CCC3)c1OC(C)C ZINC000353666433 533477958 /nfs/dbraw/zinc/47/79/58/533477958.db2.gz PKUMNGSNLJWSFR-UHFFFAOYSA-N 0 1 275.392 3.611 20 0 CHADMN C[C@@H](N[C@H]1CCCN(C)c2ccccc21)c1ccncc1F ZINC000334689662 533541190 /nfs/dbraw/zinc/54/11/90/533541190.db2.gz WGEDONCAUBCIJI-DYVFJYSZSA-N 0 1 299.393 3.843 20 0 CHADMN Cc1cc(CN2CC[C@@H](C(C)(C)C)C[C@@H]2C)no1 ZINC000347581782 533621855 /nfs/dbraw/zinc/62/18/55/533621855.db2.gz OPWDRFSESHYENQ-WCQYABFASA-N 0 1 250.386 3.630 20 0 CHADMN C[C@H](CN1Cc2ccccc2OC(C)(C)C1)C(F)(F)F ZINC000575090075 335063977 /nfs/dbraw/zinc/06/39/77/335063977.db2.gz KFNAUOZREPNKHR-LLVKDONJSA-N 0 1 287.325 3.858 20 0 CHADMN Cc1ccccc1[C@@H](N[C@H](C)c1nccn1C)C1CC1 ZINC000341699105 129979804 /nfs/dbraw/zinc/97/98/04/129979804.db2.gz QUVODTGMGPLIHH-CJNGLKHVSA-N 0 1 269.392 3.530 20 0 CHADMN C[C@@H]1CO[C@@H](c2ccccc2)CN1CCCCCF ZINC000341886364 130112719 /nfs/dbraw/zinc/11/27/19/130112719.db2.gz WLWCSHWMOHHAJG-GDBMZVCRSA-N 0 1 265.372 3.588 20 0 CHADMN CC[C@@H](NC(=O)c1cc(F)cc2nc[nH]c21)c1ccccc1 ZINC000341998069 130190057 /nfs/dbraw/zinc/19/00/57/130190057.db2.gz DWPJIIDRWBRSNB-CQSZACIVSA-N 0 1 297.333 3.583 20 0 CHADMN C[C@H](c1ccccn1)N1CCC(CC(F)(F)F)CC1 ZINC000341999736 130191245 /nfs/dbraw/zinc/19/12/45/130191245.db2.gz YCGMYDPXVRJBRA-LLVKDONJSA-N 0 1 272.314 3.807 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@@]2(C1)CCCOC2 ZINC000341987723 130210583 /nfs/dbraw/zinc/21/05/83/130210583.db2.gz HTCRTMVFIUNQKR-MLGOLLRUSA-N 0 1 281.346 3.528 20 0 CHADMN CCN(Cc1ccn(-c2ccc(Cl)cc2)n1)C1CCC1 ZINC000342196103 130329431 /nfs/dbraw/zinc/32/94/31/130329431.db2.gz DNOSFFXAOLIMJW-UHFFFAOYSA-N 0 1 289.810 3.900 20 0 CHADMN FC(F)[C@@H]1C[C@H]1NCc1ncc(-c2ccccc2)s1 ZINC000342205843 130383942 /nfs/dbraw/zinc/38/39/42/130383942.db2.gz POJGLAQDLYVDRB-GHMZBOCLSA-N 0 1 280.343 3.553 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)CCC3CCCC3)ccc12 ZINC000354995121 533673000 /nfs/dbraw/zinc/67/30/00/533673000.db2.gz HSUWNJZVUUCMDL-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN O=C1[C@@H]2CCCCC2=NN1c1ccc(C(F)(F)F)cc1 ZINC000005750416 170137165 /nfs/dbraw/zinc/13/71/65/170137165.db2.gz RURPTDITYKFVSP-LLVKDONJSA-N 0 1 282.265 3.598 20 0 CHADMN O=c1c2c([nH]n1-c1ccc(C(F)(F)F)cc1)CCCC2 ZINC000005750416 170137168 /nfs/dbraw/zinc/13/71/68/170137168.db2.gz RURPTDITYKFVSP-LLVKDONJSA-N 0 1 282.265 3.598 20 0 CHADMN CC(C)[N@@H+](Cc1ccccc1)Cc1ccccc1C(=O)[O-] ZINC000011947192 170460605 /nfs/dbraw/zinc/46/06/05/170460605.db2.gz IEFIABKCQZWDJZ-UHFFFAOYSA-N 0 1 283.371 3.795 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccccn2)cc1 ZINC000020123400 171004251 /nfs/dbraw/zinc/00/42/51/171004251.db2.gz GBYJDWHKTMNWIP-STQMWFEESA-N 0 1 256.349 3.502 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2N[C@H](C)c1ccccn1 ZINC000020123722 171004635 /nfs/dbraw/zinc/00/46/35/171004635.db2.gz UHXUTIIVTRFUGO-FZKQIMNGSA-N 0 1 282.387 3.818 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@H](C)c2ccccn2)cc1 ZINC000020123489 171004886 /nfs/dbraw/zinc/00/48/86/171004886.db2.gz HIULEHRKUKLODN-ZIAGYGMSSA-N 0 1 270.376 3.892 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccccn1 ZINC000020123549 171005191 /nfs/dbraw/zinc/00/51/91/171005191.db2.gz WQANCAYKEGTQOB-WDEREUQCSA-N 0 1 262.303 3.772 20 0 CHADMN C[C@@H](NCc1ccc(Cl)s1)c1cccnc1 ZINC000020127941 171014038 /nfs/dbraw/zinc/01/40/38/171014038.db2.gz BEIGWTMHDKOMQU-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN C[C@@H](NCc1cccs1)c1cc(F)ccc1F ZINC000020139330 171026094 /nfs/dbraw/zinc/02/60/94/171026094.db2.gz QQBBDOYVMZQHQX-SECBINFHSA-N 0 1 253.317 3.877 20 0 CHADMN COc1ccc(CNCc2ccc(Cl)c(Cl)c2)cn1 ZINC000020185977 171049487 /nfs/dbraw/zinc/04/94/87/171049487.db2.gz AZMSUUHEOXZLKC-UHFFFAOYSA-N 0 1 297.185 3.687 20 0 CHADMN Clc1ccc(CNCc2cnn(-c3ccccc3)c2)cc1 ZINC000020209628 171073312 /nfs/dbraw/zinc/07/33/12/171073312.db2.gz RUOLDLOMRDHVDP-UHFFFAOYSA-N 0 1 297.789 3.816 20 0 CHADMN Fc1ccc(CNCc2ccc3ccccc3n2)cc1 ZINC000020246284 171099362 /nfs/dbraw/zinc/09/93/62/171099362.db2.gz ODNQYDFJYVWOPU-UHFFFAOYSA-N 0 1 266.319 3.664 20 0 CHADMN Cc1cc(C)cc(NC(=O)c2cc(Cl)ccc2O)c1 ZINC000021499862 171304598 /nfs/dbraw/zinc/30/45/98/171304598.db2.gz SDLCCJUNEBAOGY-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN C[C@@H](NCc1ccc2ncccc2c1)c1ccco1 ZINC000035136969 172003980 /nfs/dbraw/zinc/00/39/80/172003980.db2.gz SOHKZYIBMXPIDS-GFCCVEGCSA-N 0 1 252.317 3.679 20 0 CHADMN C[C@@H](NCc1cccc2cccnc21)c1ccco1 ZINC000035149924 172012166 /nfs/dbraw/zinc/01/21/66/172012166.db2.gz RPROQYHHAOYNFG-GFCCVEGCSA-N 0 1 252.317 3.679 20 0 CHADMN C[C@H](NCc1cccc(F)c1F)c1cccs1 ZINC000035223087 172067380 /nfs/dbraw/zinc/06/73/80/172067380.db2.gz LPMNAXYQJPJZLI-VIFPVBQESA-N 0 1 253.317 3.877 20 0 CHADMN Cc1cc([C@H](C)NCc2c(C)noc2C)c(C)s1 ZINC000035253053 172082958 /nfs/dbraw/zinc/08/29/58/172082958.db2.gz JOJGBDSMLJTJLA-VIFPVBQESA-N 0 1 264.394 3.821 20 0 CHADMN Cc1c([C@@H](C)NCc2ccc(C(F)(F)F)cc2)cnn1C ZINC000035274307 172093961 /nfs/dbraw/zinc/09/39/61/172093961.db2.gz ALHHNFQFDHJGHQ-SNVBAGLBSA-N 0 1 297.324 3.598 20 0 CHADMN Cc1c([C@H](C)NCc2cccc(C(F)(F)F)c2)cnn1C ZINC000035274388 172094024 /nfs/dbraw/zinc/09/40/24/172094024.db2.gz DYPPHXNGIWRTJL-JTQLQIEISA-N 0 1 297.324 3.598 20 0 CHADMN Fc1cccc(CN[C@H]2CSCc3ccccc32)c1 ZINC000037247027 173060381 /nfs/dbraw/zinc/06/03/81/173060381.db2.gz SCPIGNXDUSPKEL-INIZCTEOSA-N 0 1 273.376 3.903 20 0 CHADMN CCC[N@H+](CC(=O)[O-])Cc1sc2ccccc2c1Cl ZINC000038021509 174001410 /nfs/dbraw/zinc/00/14/10/174001410.db2.gz KEZZOCBRQUGDTQ-UHFFFAOYSA-N 0 1 297.807 3.851 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1sc2ccccc2c1Cl ZINC000038021509 174001412 /nfs/dbraw/zinc/00/14/12/174001412.db2.gz KEZZOCBRQUGDTQ-UHFFFAOYSA-N 0 1 297.807 3.851 20 0 CHADMN Cc1nccc(CN[C@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC000038037425 174037494 /nfs/dbraw/zinc/03/74/94/174037494.db2.gz ORXMBMCSJHXFQV-SNVBAGLBSA-N 0 1 295.308 3.655 20 0 CHADMN Cc1csc(CN[C@H](C)c2cc(C)ccc2C)n1 ZINC000038090689 174103653 /nfs/dbraw/zinc/10/36/53/174103653.db2.gz MYYJNRVFQCEKNB-CYBMUJFWSA-N 0 1 260.406 3.919 20 0 CHADMN CCCCC[N@@H+](Cc1cc(C)c(C(=O)[O-])o1)C(C)C ZINC000042557908 174794346 /nfs/dbraw/zinc/79/43/46/174794346.db2.gz AGBDKNGHWDEUKQ-UHFFFAOYSA-N 0 1 267.369 3.687 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2cc(Br)cs2)C1 ZINC000043686967 175094408 /nfs/dbraw/zinc/09/44/08/175094408.db2.gz MTMCEYCOVOIXSG-UWVGGRQHSA-N 0 1 288.254 3.989 20 0 CHADMN CC[C@@H]1CCCN1Cc1cc(Br)cs1 ZINC000043686906 175094643 /nfs/dbraw/zinc/09/46/43/175094643.db2.gz UVAYJRFCSPUQEZ-SNVBAGLBSA-N 0 1 274.227 3.885 20 0 CHADMN Cc1ncsc1CN[C@@H](C)c1cccc(Cl)c1 ZINC000071212406 176084494 /nfs/dbraw/zinc/08/44/94/176084494.db2.gz APYPKZLHJNVRCN-VIFPVBQESA-N 0 1 266.797 3.956 20 0 CHADMN FC(F)Oc1ccc(CN2CCCc3occc3C2)cc1 ZINC000344279693 225013110 /nfs/dbraw/zinc/01/31/10/225013110.db2.gz GMSIVLSKCAHNHO-UHFFFAOYSA-N 0 1 293.313 3.829 20 0 CHADMN COc1ccsc1CN[C@@H]1CSc2ccccc21 ZINC000344442515 225074526 /nfs/dbraw/zinc/07/45/26/225074526.db2.gz ZQFHKOIYSJATKM-LLVKDONJSA-N 0 1 277.414 3.693 20 0 CHADMN Cc1cnn(-c2ccncc2NCc2cccc(C)c2C)c1 ZINC000345018654 225232506 /nfs/dbraw/zinc/23/25/06/225232506.db2.gz VRZYOKVAUILXKC-UHFFFAOYSA-N 0 1 292.386 3.805 20 0 CHADMN O=C1CCC(CN2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000334695545 225276278 /nfs/dbraw/zinc/27/62/78/225276278.db2.gz BQNRYIIIQOREMM-INIZCTEOSA-N 0 1 273.376 3.566 20 0 CHADMN C[C@@H]1CC[C@H](NCc2nccs2)c2sccc21 ZINC000334667898 225239448 /nfs/dbraw/zinc/23/94/48/225239448.db2.gz WWNPVHUGLISHNI-KOLCDFICSA-N 0 1 264.419 3.933 20 0 CHADMN Nc1ccc2c(c1)CCC[C@@H]2NCc1cc(F)ccc1F ZINC000334854136 225337647 /nfs/dbraw/zinc/33/76/47/225337647.db2.gz DZEDTOGCHVNSRG-KRWDZBQOSA-N 0 1 288.341 3.714 20 0 CHADMN C[C@H](NCc1cncc(F)c1)c1cc2ccccc2o1 ZINC000347187051 226054200 /nfs/dbraw/zinc/05/42/00/226054200.db2.gz DGZKMWLGYJSMOE-NSHDSACASA-N 0 1 270.307 3.818 20 0 CHADMN COCCN(Cc1cccc(C)n1)[C@H](C)c1ccccc1 ZINC000347352412 226127994 /nfs/dbraw/zinc/12/79/94/226127994.db2.gz DCWGYJHWMFULLZ-MRXNPFEDSA-N 0 1 284.403 3.600 20 0 CHADMN Cc1cccc(CN(Cc2ccccc2)C2CC2)n1 ZINC000347362676 226134896 /nfs/dbraw/zinc/13/48/96/226134896.db2.gz MRSIGIJFUFUDMB-UHFFFAOYSA-N 0 1 252.361 3.555 20 0 CHADMN Cc1cccc(CN2CCC[C@@H]2c2cccc(F)c2)n1 ZINC000347354373 226149407 /nfs/dbraw/zinc/14/94/07/226149407.db2.gz AOJJXMSIGMCVCF-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@H](c1ccccc1)N(Cc1nccn1C)C1CCCC1 ZINC000347700331 226239041 /nfs/dbraw/zinc/23/90/41/226239041.db2.gz BUCFXEUWZUZWDR-OAHLLOKOSA-N 0 1 283.419 3.926 20 0 CHADMN CCc1nnc([C@H](C)N2CCC[C@@H](c3ccccc3)CC2)o1 ZINC000348001136 226395150 /nfs/dbraw/zinc/39/51/50/226395150.db2.gz WRIBKGYFZFCMAZ-GOEBONIOSA-N 0 1 299.418 3.963 20 0 CHADMN CCCN(Cc1ncc(-c2ccc(F)cc2)o1)C1CC1 ZINC000171680510 335074455 /nfs/dbraw/zinc/07/44/55/335074455.db2.gz XQQDPCYEDUJNJP-UHFFFAOYSA-N 0 1 274.339 3.855 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)C12CCC(CC1)C2 ZINC000336315875 226885837 /nfs/dbraw/zinc/88/58/37/226885837.db2.gz OAXVTZQXQGVXQT-UHFFFAOYSA-N 0 1 283.730 3.704 20 0 CHADMN FC[C@@H]1CCCN1Cc1cccc(-c2ccccn2)c1 ZINC000354519517 227021260 /nfs/dbraw/zinc/02/12/60/227021260.db2.gz FXDXAZQGWDRRGV-INIZCTEOSA-N 0 1 270.351 3.683 20 0 CHADMN FC[C@H]1CCCN1Cc1cccc(OC(F)(F)F)c1 ZINC000354523659 227021361 /nfs/dbraw/zinc/02/13/61/227021361.db2.gz YLRAMMKDDJOCAG-LLVKDONJSA-N 0 1 277.261 3.519 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@H](c3ccccc3)C2)s1 ZINC000336463780 227036697 /nfs/dbraw/zinc/03/66/97/227036697.db2.gz XRUVYFLPKMCYFG-DOMZBBRYSA-N 0 1 287.432 3.787 20 0 CHADMN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccsc1Cl ZINC000336462954 227037625 /nfs/dbraw/zinc/03/76/25/227037625.db2.gz UNVQZRASWXHMOV-WCBMZHEXSA-N 0 1 272.801 3.537 20 0 CHADMN C[C@H](N[C@H]1CCCOc2ccc(F)cc21)c1cncs1 ZINC000336464353 227038102 /nfs/dbraw/zinc/03/81/02/227038102.db2.gz KIQWSDIAUXHUSW-GWCFXTLKSA-N 0 1 292.379 3.847 20 0 CHADMN C[C@@H]1CN(Cc2c(Cl)ccc3cccnc32)CCS1 ZINC000350628533 227044632 /nfs/dbraw/zinc/04/46/32/227044632.db2.gz IUHLEKGNKPYELD-LLVKDONJSA-N 0 1 292.835 3.826 20 0 CHADMN Cc1ccccc1-n1nccc1CN1CCCC2(CC2)C1 ZINC000354636304 227055616 /nfs/dbraw/zinc/05/56/16/227055616.db2.gz MQEZKFVBMIGPJK-UHFFFAOYSA-N 0 1 281.403 3.557 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1ccc(F)cc1Cl ZINC000352627911 227118899 /nfs/dbraw/zinc/11/88/99/227118899.db2.gz YYNQTLXCTCDTNO-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN C[C@@H](O)CCCN(C)Cc1cccc(Cl)c1Cl ZINC000354830662 227147373 /nfs/dbraw/zinc/14/73/73/227147373.db2.gz FUCICQDTILPPPN-SNVBAGLBSA-N 0 1 276.207 3.586 20 0 CHADMN Cc1ccc(-c2nc(CN[C@@H]3CSC[C@@H]3C)cs2)o1 ZINC000352791975 227228602 /nfs/dbraw/zinc/22/86/02/227228602.db2.gz KFDJTHKIIXGKSH-JOYOIKCWSA-N 0 1 294.445 3.553 20 0 CHADMN C[C@@H]1CCN(Cc2nc3ccccc3[nH]2)CC12CCC2 ZINC000354915544 227230155 /nfs/dbraw/zinc/23/01/55/227230155.db2.gz FQMAONXQJVQVRJ-CYBMUJFWSA-N 0 1 269.392 3.575 20 0 CHADMN Cc1cc2[nH]c(CN(C)Cc3cccn3C)cc2c(C)c1 ZINC000482009295 227347831 /nfs/dbraw/zinc/34/78/31/227347831.db2.gz VCBPSOFCYIUKIJ-UHFFFAOYSA-N 0 1 281.403 3.755 20 0 CHADMN CCc1nocc1CN1CC=C(c2cccc(C)c2)CC1 ZINC000352863735 227349813 /nfs/dbraw/zinc/34/98/13/227349813.db2.gz SDZVAHDIJADPLF-UHFFFAOYSA-N 0 1 282.387 3.835 20 0 CHADMN Cc1nccc(N2CCOc3c(F)cccc3C2)c1Cl ZINC000355673380 227949399 /nfs/dbraw/zinc/94/93/99/227949399.db2.gz OTNBAJFSYMWOMO-UHFFFAOYSA-N 0 1 292.741 3.582 20 0 CHADMN COC1(C(F)(F)F)CCN(C/C=C\c2ccccc2)CC1 ZINC000418089404 228024602 /nfs/dbraw/zinc/02/46/02/228024602.db2.gz IQKSJHFUFXAGSK-YVMONPNESA-N 0 1 299.336 3.743 20 0 CHADMN CCn1cc(CNCc2cc3cc(C)c(C)cc3o2)cn1 ZINC000353084711 228039140 /nfs/dbraw/zinc/03/91/40/228039140.db2.gz HSBPVBIHPUTSSZ-UHFFFAOYSA-N 0 1 283.375 3.556 20 0 CHADMN c1ccc(-c2noc(CN[C@H]3CCC[C@H](C4CC4)C3)n2)cc1 ZINC000330129749 228045757 /nfs/dbraw/zinc/04/57/57/228045757.db2.gz ONHBTUXZNLXZKM-HOTGVXAUSA-N 0 1 297.402 3.795 20 0 CHADMN Cc1sccc1CN(C)Cc1cc(F)cc(F)c1 ZINC000353217887 228071243 /nfs/dbraw/zinc/07/12/43/228071243.db2.gz ICUZRRXOJGMNSM-UHFFFAOYSA-N 0 1 267.344 3.967 20 0 CHADMN Cc1cc(CNCc2ccc3cc[nH]c3n2)ccc1Cl ZINC000353228037 228072056 /nfs/dbraw/zinc/07/20/56/228072056.db2.gz POLPYWRYSLLDMX-UHFFFAOYSA-N 0 1 285.778 3.815 20 0 CHADMN Cc1cc(CN[C@@H]2CC=C(c3ccc(F)cc3)CC2)no1 ZINC000353334953 228086784 /nfs/dbraw/zinc/08/67/84/228086784.db2.gz HXDGJUSXNNPERH-MRXNPFEDSA-N 0 1 286.350 3.848 20 0 CHADMN CCc1nocc1CN1CCC(C)=C(c2ccco2)C1 ZINC000353359819 228090518 /nfs/dbraw/zinc/09/05/18/228090518.db2.gz CXMGAXVKSPGPFE-UHFFFAOYSA-N 0 1 272.348 3.509 20 0 CHADMN Fc1cc(CN2CCC3(CCC3)C2)ccc1Cl ZINC000353671100 228142650 /nfs/dbraw/zinc/14/26/50/228142650.db2.gz CJWDVSPOYVQQAB-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN CCOc1ccc(CN(C)Cc2cccn2CC)cc1 ZINC000353707624 228146624 /nfs/dbraw/zinc/14/66/24/228146624.db2.gz FKIDMQYKROTOTN-UHFFFAOYSA-N 0 1 272.392 3.539 20 0 CHADMN CCc1oc2ccccc2c1CN1CCOC2(CCC2)C1 ZINC000353749459 228150642 /nfs/dbraw/zinc/15/06/42/228150642.db2.gz TVRVGIAJFIYCRD-UHFFFAOYSA-N 0 1 285.387 3.750 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@H]3CCCC3(C)C)cc2[nH]1 ZINC000332194732 228151416 /nfs/dbraw/zinc/15/14/16/228151416.db2.gz BRXYNPBGWRTXLR-GFCCVEGCSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@@H](c1nccn1C)C1CC1 ZINC000353864999 228160310 /nfs/dbraw/zinc/16/03/10/228160310.db2.gz HWMNIMPQTSUNOI-WCQYABFASA-N 0 1 275.421 3.592 20 0 CHADMN Cc1cc(C)c(C(=O)Nc2cc(F)cc(Cl)c2O)o1 ZINC000353873951 228161451 /nfs/dbraw/zinc/16/14/51/228161451.db2.gz DQVNRDLZTPWDTQ-UHFFFAOYSA-N 0 1 283.686 3.647 20 0 CHADMN C[C@H]1c2ccccc2CN1Cc1cccc2c[nH]nc21 ZINC000353874951 228161717 /nfs/dbraw/zinc/16/17/17/228161717.db2.gz YQUAAKMNHJFQEH-LBPRGKRZSA-N 0 1 263.344 3.640 20 0 CHADMN C[C@@H]1CCc2nc(CN3CCCC4(CC4)C3)sc2C1 ZINC000351947675 228168034 /nfs/dbraw/zinc/16/80/34/228168034.db2.gz URQWJYQTXOFREJ-GFCCVEGCSA-N 0 1 276.449 3.644 20 0 CHADMN Cc1nccc(N(C)[C@H](C)c2ccccn2)c1Cl ZINC000352067626 228178580 /nfs/dbraw/zinc/17/85/80/228178580.db2.gz DQISYSFOXZUYID-LLVKDONJSA-N 0 1 261.756 3.636 20 0 CHADMN Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2C)on1 ZINC000352097328 228182475 /nfs/dbraw/zinc/18/24/75/228182475.db2.gz RGWQCKDOCZUEDT-HNNXBMFYSA-N 0 1 274.339 3.768 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2ccc(F)cc2C)on1 ZINC000352097328 228182476 /nfs/dbraw/zinc/18/24/76/228182476.db2.gz RGWQCKDOCZUEDT-HNNXBMFYSA-N 0 1 274.339 3.768 20 0 CHADMN Cc1cc([C@H]2CCCN2CC2=Cc3ccccc3OC2)on1 ZINC000336114387 228189779 /nfs/dbraw/zinc/18/97/79/228189779.db2.gz AUQQMVIPRUYVET-MRXNPFEDSA-N 0 1 296.370 3.596 20 0 CHADMN FC(F)c1noc(CN[C@@H]2CCCCC23CCCC3)n1 ZINC000333455514 228201083 /nfs/dbraw/zinc/20/10/83/228201083.db2.gz ZMKJKQQIMCLPFG-SNVBAGLBSA-N 0 1 285.338 3.600 20 0 CHADMN NC1(c2noc([C@@H]3C[C@@H]3C3CCCCC3)n2)CCCCC1 ZINC000333585904 228205725 /nfs/dbraw/zinc/20/57/25/228205725.db2.gz OMGVTMCQCSSVSH-ZIAGYGMSSA-N 0 1 289.423 3.872 20 0 CHADMN Cc1noc(C)c1CN[C@H]1CCCc2c(F)cc(F)cc21 ZINC000336212247 228214724 /nfs/dbraw/zinc/21/47/24/228214724.db2.gz VHNYSLYHOZCYOH-INIZCTEOSA-N 0 1 292.329 3.737 20 0 CHADMN Cc1ncsc1CCN(C)Cc1ccc(F)cc1Cl ZINC000172536618 260015360 /nfs/dbraw/zinc/01/53/60/260015360.db2.gz OZUCGVAODUDMMZ-UHFFFAOYSA-N 0 1 298.814 3.919 20 0 CHADMN CCCn1c(C)nnc1CN(C(C)C)C1CCCCC1 ZINC000179400451 260046799 /nfs/dbraw/zinc/04/67/99/260046799.db2.gz GBHGTXJIHCAANU-UHFFFAOYSA-N 0 1 278.444 3.540 20 0 CHADMN c1cc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)CCC3)ccn1 ZINC000179570430 260056057 /nfs/dbraw/zinc/05/60/57/260056057.db2.gz CLZNVLCSJCUPRC-LJQANCHMSA-N 0 1 278.399 3.907 20 0 CHADMN CCCC1CCC(N(C)Cc2cscn2)CC1 ZINC000179948367 260081345 /nfs/dbraw/zinc/08/13/45/260081345.db2.gz AWDFHZDNWSXCLA-UHFFFAOYSA-N 0 1 252.427 3.934 20 0 CHADMN COCCN[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000179971688 260084507 /nfs/dbraw/zinc/08/45/07/260084507.db2.gz WXCBKTBQMYSRJZ-INIZCTEOSA-N 0 1 293.769 3.805 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(F)c(F)c2)cc1F ZINC000037496157 260113018 /nfs/dbraw/zinc/11/30/18/260113018.db2.gz MISMUGJXRPLJGZ-SNVBAGLBSA-N 0 1 295.304 3.963 20 0 CHADMN CCOCc1ccccc1CNCc1ccc(Cl)o1 ZINC000037500961 260113802 /nfs/dbraw/zinc/11/38/02/260113802.db2.gz JVRYSPHXYDXCKG-UHFFFAOYSA-N 0 1 279.767 3.759 20 0 CHADMN COCc1ccccc1CN[C@H](C)c1ccc(F)cc1F ZINC000037762630 260116637 /nfs/dbraw/zinc/11/66/37/260116637.db2.gz BEZFYGPZLLSAAA-GFCCVEGCSA-N 0 1 291.341 3.962 20 0 CHADMN C[C@@H](N[C@@H]1CCc2c1cccc2O)c1ccccc1F ZINC000037764574 260116997 /nfs/dbraw/zinc/11/69/97/260116997.db2.gz HKHYWEUKAGHXHL-BDJLRTHQSA-N 0 1 271.335 3.869 20 0 CHADMN COc1ccc(CN[C@H](C)c2cnc3ccsc3c2)cn1 ZINC000068690634 260145489 /nfs/dbraw/zinc/14/54/89/260145489.db2.gz NXLQGPODTGDXAW-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN CC(C)(C)[C@@H](CO)NCc1csc(Cl)c1Cl ZINC000309312136 260152510 /nfs/dbraw/zinc/15/25/10/260152510.db2.gz CFKQRCCKNIAXKN-MRVPVSSYSA-N 0 1 282.236 3.552 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccccc1-c1cccs1 ZINC000070982818 260159164 /nfs/dbraw/zinc/15/91/64/260159164.db2.gz DVADGSZATLMZII-UHFFFAOYSA-N 0 1 283.356 3.699 20 0 CHADMN OC1(CN[C@H](c2ccco2)c2ccccc2)CCCCC1 ZINC000078514214 260167782 /nfs/dbraw/zinc/16/77/82/260167782.db2.gz USPGADPPVOFHHM-KRWDZBQOSA-N 0 1 285.387 3.654 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@@H](C)c2ccccn2)s1 ZINC000040517606 260176946 /nfs/dbraw/zinc/17/69/46/260176946.db2.gz GVXWWMQNBHQTAT-VHSXEESVSA-N 0 1 261.394 3.567 20 0 CHADMN C[C@H](NCc1ccc2ccccc2n1)c1cccc(O)c1 ZINC000086317550 260207275 /nfs/dbraw/zinc/20/72/75/260207275.db2.gz LDZFEVAEPDRXLI-ZDUSSCGKSA-N 0 1 278.355 3.791 20 0 CHADMN COC[C@@H](N[C@H](c1ccco1)c1ccccc1)C(C)C ZINC000086697371 260209524 /nfs/dbraw/zinc/20/95/24/260209524.db2.gz KIEIIAIHFIVGQF-WBVHZDCISA-N 0 1 273.376 3.630 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000086728965 260209537 /nfs/dbraw/zinc/20/95/37/260209537.db2.gz UHCQBRMKYFPRNJ-GUYCJALGSA-N 0 1 283.371 3.697 20 0 CHADMN C[C@H](C[N@@H+](C)[C@@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000086807936 260209976 /nfs/dbraw/zinc/20/99/76/260209976.db2.gz MWLXTSANWTWRIB-OLZOCXBDSA-N 0 1 271.360 3.553 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809041 260210339 /nfs/dbraw/zinc/21/03/39/260210339.db2.gz SZWBWQVTGDJRBT-NWDGAFQWSA-N 0 1 297.345 3.603 20 0 CHADMN COc1ccc([C@@H](NCc2ncc(C)s2)C2CC2)cc1 ZINC000091348584 260265491 /nfs/dbraw/zinc/26/54/91/260265491.db2.gz RMPIKNNFYNIDIK-INIZCTEOSA-N 0 1 288.416 3.701 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccccc2-n2cccn2)o1 ZINC000040495464 260281857 /nfs/dbraw/zinc/28/18/57/260281857.db2.gz FHYIHJBJUZTACF-AWEZNQCLSA-N 0 1 281.359 3.625 20 0 CHADMN Cc1cccc(CN(C)CCc2ccccc2O)c1F ZINC000449237650 260303532 /nfs/dbraw/zinc/30/35/32/260303532.db2.gz CIRMPCAKJAZIHS-UHFFFAOYSA-N 0 1 273.351 3.514 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C(C)C)N2CCCCC2)c(F)c1 ZINC000517800111 260307701 /nfs/dbraw/zinc/30/77/01/260307701.db2.gz HZDRGGPVIRZJBX-INIZCTEOSA-N 0 1 292.398 3.583 20 0 CHADMN CC1(C)CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000521055966 260316798 /nfs/dbraw/zinc/31/67/98/260316798.db2.gz KMTXSXYLDUZXNO-UHFFFAOYSA-N 0 1 281.783 3.660 20 0 CHADMN F[C@]1(c2ccccc2)CCN(Cc2cc3cccnc3o2)C1 ZINC000521187813 260365414 /nfs/dbraw/zinc/36/54/14/260365414.db2.gz WVHOKRRANVOXKH-GOSISDBHSA-N 0 1 296.345 3.899 20 0 CHADMN C[C@@H](NCc1ccc(OC(F)F)cc1)c1cncs1 ZINC000128489892 260374982 /nfs/dbraw/zinc/37/49/82/260374982.db2.gz ZTWWSAFJBAVCPE-SECBINFHSA-N 0 1 284.331 3.595 20 0 CHADMN COc1ccc(CN2CCC[C@H]2c2ccc(C)s2)cn1 ZINC000085819816 260380119 /nfs/dbraw/zinc/38/01/19/260380119.db2.gz CYCOVEGYVMCALW-AWEZNQCLSA-N 0 1 288.416 3.797 20 0 CHADMN CC(C)(C)C1CCC(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000130294847 260395175 /nfs/dbraw/zinc/39/51/75/260395175.db2.gz FXZAUINEJDWXEK-MQBCKMQZSA-N 0 1 281.440 3.636 20 0 CHADMN CCC[C@@H](CCc1ccccc1)NC(CF)CF ZINC000449381042 260471552 /nfs/dbraw/zinc/47/15/52/260471552.db2.gz QHFLYSJBXOFKHZ-AWEZNQCLSA-N 0 1 255.352 3.685 20 0 CHADMN C[C@@H](N[C@H](CCc1ccccc1)C(F)F)C1CC1 ZINC000449442452 260585183 /nfs/dbraw/zinc/58/51/83/260585183.db2.gz ZACJSWLQHKSNBB-BXUZGUMPSA-N 0 1 253.336 3.641 20 0 CHADMN CCn1ccnc1CN[C@@H](c1ccccc1)C(C)(C)C ZINC000051922171 260974786 /nfs/dbraw/zinc/97/47/86/260974786.db2.gz TXLQRMCMLHJNGP-INIZCTEOSA-N 0 1 271.408 3.780 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@@H]2CCCc3occc32)cn1 ZINC000152277638 261062555 /nfs/dbraw/zinc/06/25/55/261062555.db2.gz JFLWOOZVUMCYMN-SWLSCSKDSA-N 0 1 273.380 3.785 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@H]2CCCc3occc32)cn1 ZINC000152277721 261062719 /nfs/dbraw/zinc/06/27/19/261062719.db2.gz JFLWOOZVUMCYMN-DOMZBBRYSA-N 0 1 273.380 3.785 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@@H](C)c2ccccn2)c1 ZINC000152362251 261063451 /nfs/dbraw/zinc/06/34/51/261063451.db2.gz PENRNSCQRKOQDM-KGLIPLIRSA-N 0 1 270.376 3.892 20 0 CHADMN CCc1nc2c(s1)[C@@H](N(C)Cc1ccccn1)CCC2 ZINC000152578737 261065790 /nfs/dbraw/zinc/06/57/90/261065790.db2.gz SKKHRXCQMLAFKW-AWEZNQCLSA-N 0 1 287.432 3.610 20 0 CHADMN FC(F)n1c2ccccc2nc1CN1C[C@@H]2CCC[C@H]2C1 ZINC000152762823 261069066 /nfs/dbraw/zinc/06/90/66/261069066.db2.gz OVWCQMVZRHSVFQ-RYUDHWBXSA-N 0 1 291.345 3.663 20 0 CHADMN Cc1cnc(CN2CC[C@@H](C)C3(CCCCC3)C2)o1 ZINC000360609928 261082982 /nfs/dbraw/zinc/08/29/82/261082982.db2.gz HCAFXYRGHOHSNF-CYBMUJFWSA-N 0 1 262.397 3.775 20 0 CHADMN C[C@H](NCc1cc(N(C)C)nc2ccccc12)c1ccco1 ZINC000154478412 261092160 /nfs/dbraw/zinc/09/21/60/261092160.db2.gz NKRLATXUSMZTHT-ZDUSSCGKSA-N 0 1 295.386 3.745 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000155330261 261100384 /nfs/dbraw/zinc/10/03/84/261100384.db2.gz WXPQLNXKQQRANX-LLVKDONJSA-N 0 1 297.324 3.632 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cccc(NC(C)=O)c1 ZINC000155453103 261102068 /nfs/dbraw/zinc/10/20/68/261102068.db2.gz FVDXSCCWCVOBFC-CYBMUJFWSA-N 0 1 298.386 3.504 20 0 CHADMN CC(C)[C@@H]1CCN(Cc2ncc(C(C)(C)C)s2)C1 ZINC000448337699 261118228 /nfs/dbraw/zinc/11/82/28/261118228.db2.gz SOONHXDVSSJSBN-GFCCVEGCSA-N 0 1 266.454 3.919 20 0 CHADMN C[C@@H](N[C@H]1CCCOc2ccccc21)c1ccncc1 ZINC000156553021 261125281 /nfs/dbraw/zinc/12/52/81/261125281.db2.gz HYUGJVLXEXBPEH-CJNGLKHVSA-N 0 1 268.360 3.646 20 0 CHADMN C[C@H](O)C[C@H]1CCCCN1Cc1ncc(C(C)(C)C)s1 ZINC000448372792 261132246 /nfs/dbraw/zinc/13/22/46/261132246.db2.gz PHFCYALOJJWTHQ-QWHCGFSZSA-N 0 1 296.480 3.566 20 0 CHADMN C[C@@H](NCc1ccnn1C1CCCC1)c1ccccc1 ZINC000449061616 261142215 /nfs/dbraw/zinc/14/22/15/261142215.db2.gz GYHWGGNMTOSNCA-CQSZACIVSA-N 0 1 269.392 3.849 20 0 CHADMN Cc1ccc(OC(F)F)c([C@@H](C)NCc2ccn(C)c2)c1 ZINC000158482622 261165788 /nfs/dbraw/zinc/16/57/88/261165788.db2.gz BSFJIFNKQGSZMP-GFCCVEGCSA-N 0 1 294.345 3.786 20 0 CHADMN CCc1ccc([C@H](C)NCc2cccc(COC)c2)o1 ZINC000158554593 261167366 /nfs/dbraw/zinc/16/73/66/261167366.db2.gz NLXHIRGVAMBRDL-ZDUSSCGKSA-N 0 1 273.376 3.839 20 0 CHADMN CC(C)N(C)Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000158706018 261169514 /nfs/dbraw/zinc/16/95/14/261169514.db2.gz OVGUZCMKFCKOGL-UHFFFAOYSA-N 0 1 280.803 3.506 20 0 CHADMN CO[C@H](C)c1nc(CN(CC(C)C)C(C)C)cs1 ZINC000175130180 261210263 /nfs/dbraw/zinc/21/02/63/261210263.db2.gz SYOADCZVMIFWQR-GFCCVEGCSA-N 0 1 270.442 3.717 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2cncc(C(F)(F)F)c2)C1 ZINC000361382956 261231094 /nfs/dbraw/zinc/23/10/94/261231094.db2.gz YNQWOMSZYTZCTC-UTUOFQBUSA-N 0 1 286.341 3.967 20 0 CHADMN Cc1ccccc1CN1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000464843962 261241294 /nfs/dbraw/zinc/24/12/94/261241294.db2.gz BKROIBUNCSDCAW-APWZRJJASA-N 0 1 281.399 3.957 20 0 CHADMN CN(C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C1CCC1 ZINC000162202286 261273689 /nfs/dbraw/zinc/27/36/89/261273689.db2.gz ZDRVNEYSCZAJLG-UHFFFAOYSA-N 0 1 294.305 3.517 20 0 CHADMN CC[C@H](NCc1cccc(N(C)C)n1)c1ccc(F)cc1 ZINC000163131355 261306581 /nfs/dbraw/zinc/30/65/81/261306581.db2.gz NRLWZHKUFRQISI-INIZCTEOSA-N 0 1 287.382 3.528 20 0 CHADMN COc1cccc(C2(NCc3cc(F)cc(F)c3)CC2)c1 ZINC000163224801 261309626 /nfs/dbraw/zinc/30/96/26/261309626.db2.gz PKFFWWVUSPVJOO-UHFFFAOYSA-N 0 1 289.325 3.752 20 0 CHADMN CC(C)N(Cc1nc(C(C)(C)C)cs1)C1CC1 ZINC000176905109 261317833 /nfs/dbraw/zinc/31/78/33/261317833.db2.gz LCDXFWFXDWRLSP-UHFFFAOYSA-N 0 1 252.427 3.813 20 0 CHADMN COc1ccc(F)cc1CN[C@@H](C)c1ccc(F)cc1 ZINC000176973669 261323687 /nfs/dbraw/zinc/32/36/87/261323687.db2.gz NXXSHWDHPHQZND-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN Cc1sc(NC(=O)CN(C)[C@@H](C)C2(C)CC2)c(C)c1C ZINC000177218003 261339813 /nfs/dbraw/zinc/33/98/13/261339813.db2.gz AQTFKALGWKKKPJ-ZDUSSCGKSA-N 0 1 294.464 3.732 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN(C)[C@@H](C)C1(C)CC1 ZINC000177249348 261342687 /nfs/dbraw/zinc/34/26/87/261342687.db2.gz ZNNFVFZDAIYTAT-LBPRGKRZSA-N 0 1 289.398 3.816 20 0 CHADMN CC(C)Cc1noc(CN2CC[C@H](c3ccccc3)[C@H]2C)n1 ZINC000177539848 261361345 /nfs/dbraw/zinc/36/13/45/261361345.db2.gz XVGOBGGINOJJEO-ZBFHGGJFSA-N 0 1 299.418 3.646 20 0 CHADMN Cn1c(CN[C@@H]2CCCc3sccc32)nc2ccccc21 ZINC000107914231 261381653 /nfs/dbraw/zinc/38/16/53/261381653.db2.gz NEUBZWQBBBIHKM-CYBMUJFWSA-N 0 1 297.427 3.802 20 0 CHADMN COc1ccc(F)cc1CN[C@H](C)c1sc(C)nc1C ZINC000183630662 261494416 /nfs/dbraw/zinc/49/44/16/261494416.db2.gz WZXQWPGEODHNHI-SECBINFHSA-N 0 1 294.395 3.758 20 0 CHADMN Cc1nc(C)c(CN(C)Cc2cccc(F)c2)s1 ZINC000172731664 261508972 /nfs/dbraw/zinc/50/89/72/261508972.db2.gz MDGVCBUGHXVRKR-UHFFFAOYSA-N 0 1 264.369 3.531 20 0 CHADMN Fc1ccc([C@H](N[C@H]2CCC[C@@H](F)C2)c2ncc[nH]2)cc1 ZINC000516650323 261638222 /nfs/dbraw/zinc/63/82/22/261638222.db2.gz KAYQAABINZLCDG-ILXRZTDVSA-N 0 1 291.345 3.509 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1NCc1cn2ccccc2n1 ZINC000179395097 261784284 /nfs/dbraw/zinc/78/42/84/261784284.db2.gz UEGCHFSOQWABBZ-AUUYWEPGSA-N 0 1 291.398 3.748 20 0 CHADMN COc1cccc([C@H]2CCCN2Cc2cnn(C(C)C)c2)c1 ZINC000179885820 261821950 /nfs/dbraw/zinc/82/19/50/261821950.db2.gz ANJZOPBIQSCCHO-GOSISDBHSA-N 0 1 299.418 3.810 20 0 CHADMN CC(C)(C)Oc1ccc(CNCc2ccsc2)cn1 ZINC000180893531 261878508 /nfs/dbraw/zinc/87/85/08/261878508.db2.gz SOKMOOJPZPCLBT-UHFFFAOYSA-N 0 1 276.405 3.610 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000181549545 261901563 /nfs/dbraw/zinc/90/15/63/261901563.db2.gz LPHJBAIOMCIKNF-CQSZACIVSA-N 0 1 295.810 3.602 20 0 CHADMN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NCc1cocn1 ZINC000182076354 261922136 /nfs/dbraw/zinc/92/21/36/261922136.db2.gz MMAISKDBPJIOGS-QWRGUYRKSA-N 0 1 298.308 3.975 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2csc(-c3ccoc3)n2)C1 ZINC000108355762 261923134 /nfs/dbraw/zinc/92/31/34/261923134.db2.gz BXULWYHCVWJIBC-RYUDHWBXSA-N 0 1 276.405 3.881 20 0 CHADMN C[C@@H](c1cccc(O)c1)N(C)CCC(=O)c1ccccc1 ZINC000182654319 261947134 /nfs/dbraw/zinc/94/71/34/261947134.db2.gz HPHHGIDPEJVKHS-AWEZNQCLSA-N 0 1 283.371 3.658 20 0 CHADMN C[C@@H](CN(C)Cc1ccc(F)cc1F)c1nccs1 ZINC000183940521 262000115 /nfs/dbraw/zinc/00/01/15/262000115.db2.gz FKMZMSAYIDYSAD-JTQLQIEISA-N 0 1 282.359 3.657 20 0 CHADMN O=C(Nc1cccc(C(F)(F)F)c1)c1cn[nH]c1C1CC1 ZINC000184166469 262011456 /nfs/dbraw/zinc/01/14/56/262011456.db2.gz VISJALKPVIJGIZ-UHFFFAOYSA-N 0 1 295.264 3.558 20 0 CHADMN CC(C)c1ccc(CN[C@@H](CCO)c2ccco2)cc1 ZINC000184508191 262021098 /nfs/dbraw/zinc/02/10/98/262021098.db2.gz LGBYXZWHWYZCMO-INIZCTEOSA-N 0 1 273.376 3.616 20 0 CHADMN CCSc1cccc(CN[C@H](CO)c2ccccc2)c1 ZINC000185539049 262059425 /nfs/dbraw/zinc/05/94/25/262059425.db2.gz XCOFZAHLPAWYSI-QGZVFWFLSA-N 0 1 287.428 3.622 20 0 CHADMN c1ccc2c(c1)CCC[C@H]2CSc1nc(C2CC2)n[nH]1 ZINC000108953993 262075025 /nfs/dbraw/zinc/07/50/25/262075025.db2.gz RYYYVJSZKOYXDB-ZDUSSCGKSA-N 0 1 285.416 3.894 20 0 CHADMN c1ccc2c(c1)CCC[C@H]2CSc1n[nH]c(C2CC2)n1 ZINC000108953993 262075026 /nfs/dbraw/zinc/07/50/26/262075026.db2.gz RYYYVJSZKOYXDB-ZDUSSCGKSA-N 0 1 285.416 3.894 20 0 CHADMN c1ccc2c(c1)CCC[C@@H]2CSc1nc(C2CC2)n[nH]1 ZINC000108953991 262075187 /nfs/dbraw/zinc/07/51/87/262075187.db2.gz RYYYVJSZKOYXDB-CYBMUJFWSA-N 0 1 285.416 3.894 20 0 CHADMN c1ccc2c(c1)CCC[C@@H]2CSc1n[nH]c(C2CC2)n1 ZINC000108953991 262075189 /nfs/dbraw/zinc/07/51/89/262075189.db2.gz RYYYVJSZKOYXDB-CYBMUJFWSA-N 0 1 285.416 3.894 20 0 CHADMN CCCC[C@H](C)NCc1ncc(-c2ccccc2)cn1 ZINC000186052993 262077079 /nfs/dbraw/zinc/07/70/79/262077079.db2.gz WIMVAIHTJRTHMB-AWEZNQCLSA-N 0 1 269.392 3.812 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@@H](CCO)c2ccco2)c1 ZINC000186524971 262097169 /nfs/dbraw/zinc/09/71/69/262097169.db2.gz HTZIENKQWPPDBC-ZBFHGGJFSA-N 0 1 273.376 3.671 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](CCO)c1ccco1)[C@@H](C)C2 ZINC000186543695 262097772 /nfs/dbraw/zinc/09/77/72/262097772.db2.gz DRCIMVIKUPCEQX-OWQGQXMQSA-N 0 1 285.387 3.535 20 0 CHADMN CC[C@@H](N[C@@H](CCO)c1ccco1)c1ccc(C)cc1 ZINC000186554906 262098684 /nfs/dbraw/zinc/09/86/84/262098684.db2.gz INPITEGQLZYOMH-CVEARBPZSA-N 0 1 273.376 3.752 20 0 CHADMN C[C@@H](NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000119121403 262153156 /nfs/dbraw/zinc/15/31/56/262153156.db2.gz HYRUQAMUCIBMTL-WBVHZDCISA-N 0 1 284.403 3.595 20 0 CHADMN C[C@@H](NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000119121609 262153232 /nfs/dbraw/zinc/15/32/32/262153232.db2.gz HYRUQAMUCIBMTL-NVXWUHKLSA-N 0 1 284.403 3.595 20 0 CHADMN CSCCCCCN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000188488386 262157066 /nfs/dbraw/zinc/15/70/66/262157066.db2.gz DRFAGNITMCIMHM-OAHLLOKOSA-N 0 1 289.448 3.622 20 0 CHADMN CC[C@@H](CC(F)(F)F)NCc1ccc(Cl)o1 ZINC000390434526 262192653 /nfs/dbraw/zinc/19/26/53/262192653.db2.gz RITHNOPZDFSAED-ZETCQYMHSA-N 0 1 255.667 3.754 20 0 CHADMN CC[C@H]1C[C@]1(NCc1cccnc1OC)c1cccc(C)c1 ZINC000502590905 262222464 /nfs/dbraw/zinc/22/24/64/262222464.db2.gz IMUJCXYMPLHNLP-QFBILLFUSA-N 0 1 296.414 3.814 20 0 CHADMN CC[C@H]1CN(Cc2ccc(Cl)cc2)CCS1 ZINC000525781557 262228386 /nfs/dbraw/zinc/22/83/86/262228386.db2.gz PSYXJZNODDWDKK-ZDUSSCGKSA-N 0 1 255.814 3.667 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2occc21)c1ccc2c(c1)OCCO2 ZINC000120773098 262230146 /nfs/dbraw/zinc/23/01/46/262230146.db2.gz WZDPXXWBBQJSGX-IUODEOHRSA-N 0 1 299.370 3.779 20 0 CHADMN Cc1ccc(CN(C)Cc2ccncc2)cc1Cl ZINC000194628948 262240278 /nfs/dbraw/zinc/24/02/78/262240278.db2.gz RULPTRRUKGDPFQ-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN C[C@@H](NCc1ccc(C(C)(C)O)cc1)c1ccccc1F ZINC000184674869 262292041 /nfs/dbraw/zinc/29/20/41/262292041.db2.gz DWXNYYPSCJIMQS-CYBMUJFWSA-N 0 1 287.378 3.904 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccccc2C)c(F)c1 ZINC000221803609 262298591 /nfs/dbraw/zinc/29/85/91/262298591.db2.gz GKZOZOFLIUSSPN-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN Cc1nc(CN2CCC(C)(C(C)C)CC2)oc1C ZINC000186193677 262313002 /nfs/dbraw/zinc/31/30/02/262313002.db2.gz NMAVOXSRHKIVFM-UHFFFAOYSA-N 0 1 250.386 3.550 20 0 CHADMN CCc1nc([C@H](C)N[C@@H]2CS[C@@H](C(C)C)C2)cs1 ZINC000488449587 262324346 /nfs/dbraw/zinc/32/43/46/262324346.db2.gz OMARLFLOTSCISC-GMXVVIOVSA-N 0 1 284.494 3.886 20 0 CHADMN CC[N@@H+](Cc1cc(C)sc1C)C1CCC(C(=O)[O-])CC1 ZINC000518797286 262357812 /nfs/dbraw/zinc/35/78/12/262357812.db2.gz QAMJFMZXORBDDK-UHFFFAOYSA-N 0 1 295.448 3.830 20 0 CHADMN F[C@@H]1CCCC[C@H]1NCc1sccc1Br ZINC000393904562 262359440 /nfs/dbraw/zinc/35/94/40/262359440.db2.gz DVWJYEDZSWOGGA-NXEZZACHSA-N 0 1 292.217 3.881 20 0 CHADMN Cc1csc([C@H](C)N[C@H]2C=CCCCCC2)n1 ZINC000393959187 262377563 /nfs/dbraw/zinc/37/75/63/262377563.db2.gz OGSVHFFPYGTLDZ-STQMWFEESA-N 0 1 250.411 3.991 20 0 CHADMN CC(C)[C@H]1CCN([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000446729859 262380385 /nfs/dbraw/zinc/38/03/85/262380385.db2.gz XKGHNKJCRCLBJR-RYUDHWBXSA-N 0 1 291.420 3.837 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(Cl)s2)ccn1 ZINC000391154070 262385026 /nfs/dbraw/zinc/38/50/26/262385026.db2.gz DKZUFCXPJPBBIW-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1ccnc(C)c1 ZINC000391217036 262391333 /nfs/dbraw/zinc/39/13/33/262391333.db2.gz XHHVUMKCNPTCCC-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CC[C@@H](c3ccccc3)C2)n1 ZINC000250200326 262701874 /nfs/dbraw/zinc/70/18/74/262701874.db2.gz CCSSQLINAAEJSZ-UKRRQHHQSA-N 0 1 285.391 3.744 20 0 CHADMN Cc1nc([C@H](C)Sc2ccccc2Cl)n[nH]1 ZINC000412982468 262750145 /nfs/dbraw/zinc/75/01/45/262750145.db2.gz YOKROCVFAFFBPI-ZETCQYMHSA-N 0 1 253.758 3.620 20 0 CHADMN Cc1ccc(CN[C@@H](c2cccnc2)C(C)C)nc1C ZINC000414166626 262820184 /nfs/dbraw/zinc/82/01/84/262820184.db2.gz OAJRNKXTWBOQME-QGZVFWFLSA-N 0 1 269.392 3.580 20 0 CHADMN CC(C)C[C@H](C)C[C@H](C)NCc1nnc(C2CC2)s1 ZINC000414328859 262844826 /nfs/dbraw/zinc/84/48/26/262844826.db2.gz QICLUJGPDZXUHU-RYUDHWBXSA-N 0 1 281.469 3.966 20 0 CHADMN CC[C@@H](Cc1ccccc1)NCc1nnc(C2CC2)s1 ZINC000414335048 262846037 /nfs/dbraw/zinc/84/60/37/262846037.db2.gz XTGMTYMYZAHSAT-AWEZNQCLSA-N 0 1 287.432 3.526 20 0 CHADMN COc1ccc(-c2nc(CN3CC(C)=C[C@H](C)C3)co2)cc1 ZINC000430259299 263007273 /nfs/dbraw/zinc/00/72/73/263007273.db2.gz ANODMOWPXCPWFH-ZDUSSCGKSA-N 0 1 298.386 3.748 20 0 CHADMN CC[C@@H]1CCCC[C@H]1OCc1nc([C@@H](N)CC(C)C)no1 ZINC000414611218 263009404 /nfs/dbraw/zinc/00/94/04/263009404.db2.gz BZZKVFXYLAIJBV-HZSPNIEDSA-N 0 1 295.427 3.601 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H]2C[C@H](C)C[C@H](C)C2)n1 ZINC000414613268 263009561 /nfs/dbraw/zinc/00/95/61/263009561.db2.gz FWTFBUQQCBNDQI-MROQNXINSA-N 0 1 265.401 3.655 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H]2CCCc3sccc32)n1 ZINC000414614906 263010226 /nfs/dbraw/zinc/01/02/26/263010226.db2.gz HRYCCWXAZBLPKJ-NWDGAFQWSA-N 0 1 291.420 3.645 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H](c2ccccc2)C2CC2)n1 ZINC000414616458 263010371 /nfs/dbraw/zinc/01/03/71/263010371.db2.gz KDSDIROHVFIENA-CABCVRRESA-N 0 1 285.391 3.657 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2ccc(F)c(Cl)c2)n1 ZINC000414617306 263010948 /nfs/dbraw/zinc/01/09/48/263010948.db2.gz LCACIIHWMKTYRH-NSHDSACASA-N 0 1 283.734 3.575 20 0 CHADMN CC(C)C[C@H](N)c1noc(CCCCC(C)(C)C)n1 ZINC000414615927 263010994 /nfs/dbraw/zinc/01/09/94/263010994.db2.gz JHYQETAFRMQSMM-LBPRGKRZSA-N 0 1 267.417 3.874 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000414617803 263011206 /nfs/dbraw/zinc/01/12/06/263011206.db2.gz MDBBVDAGNHFWMO-SPWCGHHHSA-N 0 1 285.391 3.633 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H](C)CC(C)(C)C)n1 ZINC000414620984 263013371 /nfs/dbraw/zinc/01/33/71/263013371.db2.gz QMYIMJRBZDUZJP-QWRGUYRKSA-N 0 1 253.390 3.655 20 0 CHADMN CCn1cc(-c2nc([C@@H](N)CC(C)C)no2)c2ccccc21 ZINC000414621670 263013999 /nfs/dbraw/zinc/01/39/99/263013999.db2.gz RSLYCZLNJZWWAR-AWEZNQCLSA-N 0 1 298.390 3.757 20 0 CHADMN CC1(C)CCC[C@H](Cc2nc(C3(N)CCCC3)no2)C1 ZINC000414627659 263016676 /nfs/dbraw/zinc/01/66/76/263016676.db2.gz ZMFPIBUZKDYLQA-GFCCVEGCSA-N 0 1 277.412 3.557 20 0 CHADMN C[N@@H+](CCCC(=O)[O-])Cc1cc(-c2ccccc2)cs1 ZINC000414636767 263018659 /nfs/dbraw/zinc/01/86/59/263018659.db2.gz KQXHPBJNTJVWDA-UHFFFAOYSA-N 0 1 289.400 3.712 20 0 CHADMN C[C@H]1CCC(C)(C)N1Cc1cncc(C(F)(F)F)c1 ZINC000452006576 263022638 /nfs/dbraw/zinc/02/26/38/263022638.db2.gz LYTUSNHRDGDPJQ-JTQLQIEISA-N 0 1 272.314 3.863 20 0 CHADMN Clc1ccc(CN[C@H](c2cccnc2)C2CCC2)nc1 ZINC000280952879 263065316 /nfs/dbraw/zinc/06/53/16/263065316.db2.gz UGJHREBKVFAKLZ-INIZCTEOSA-N 0 1 287.794 3.761 20 0 CHADMN Cc1nnc([C@H](C)N2C[C@@H](c3ccccc3)C[C@@H]2C)s1 ZINC000283048480 263080586 /nfs/dbraw/zinc/08/05/86/263080586.db2.gz IUNUCULVVGIQIO-HUBLWGQQSA-N 0 1 287.432 3.786 20 0 CHADMN Cc1noc(C(C)(C)NC[C@@H](C)c2cccc(Cl)c2)n1 ZINC000284049793 263085597 /nfs/dbraw/zinc/08/55/97/263085597.db2.gz PITINSUHBROCLI-SNVBAGLBSA-N 0 1 293.798 3.660 20 0 CHADMN Cc1nc(C(C)C)ccc1CN1CCC(F)(F)[C@@H](C)C1 ZINC000293423990 263140014 /nfs/dbraw/zinc/14/00/14/263140014.db2.gz ANYVYWDTRQRPNV-LBPRGKRZSA-N 0 1 282.378 3.991 20 0 CHADMN CO[C@H]1CCN([C@H](C)c2ccc(F)c(F)c2)CC1(C)C ZINC000296112995 263186223 /nfs/dbraw/zinc/18/62/23/263186223.db2.gz RKVNMJIPCQSKDL-ABAIWWIYSA-N 0 1 283.362 3.773 20 0 CHADMN COc1cc(C)nc(CN[C@@H]2CCCc3ccccc32)c1 ZINC000213660257 263205592 /nfs/dbraw/zinc/20/55/92/263205592.db2.gz VBTJHQDYYQEGEL-GOSISDBHSA-N 0 1 282.387 3.566 20 0 CHADMN C[C@@H](CC(=O)Nc1ccc2nc[nH]c2c1)c1ccc(F)cc1 ZINC000520998531 263207586 /nfs/dbraw/zinc/20/75/86/263207586.db2.gz DJCIQKSFBQWFGL-NSHDSACASA-N 0 1 297.333 3.834 20 0 CHADMN CC(C)N(Cc1ccco1)C[C@@H](O)c1c(F)cccc1F ZINC000299330993 263239401 /nfs/dbraw/zinc/23/94/01/263239401.db2.gz CBUHCRLCTIUGFB-OAHLLOKOSA-N 0 1 295.329 3.502 20 0 CHADMN CC[C@@]1(CO)CCC[N@H+]([C@@H](C)c2ccccc2Cl)C1 ZINC000187551161 263261843 /nfs/dbraw/zinc/26/18/43/263261843.db2.gz ADRZKKSVBPCANM-XJKSGUPXSA-N 0 1 281.827 3.886 20 0 CHADMN CCc1ncc(CN[C@H](CC)c2cccc(C)c2)o1 ZINC000453395241 263262016 /nfs/dbraw/zinc/26/20/16/263262016.db2.gz UBZFSWXNTCOUQD-OAHLLOKOSA-N 0 1 258.365 3.786 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H]1CCCc2ccccc21 ZINC000187677790 263265863 /nfs/dbraw/zinc/26/58/63/263265863.db2.gz LANFPCJNIQUQKW-XJKSGUPXSA-N 0 1 267.376 3.513 20 0 CHADMN CCN(Cc1ncc(C)s1)[C@H](C)Cc1ccsc1 ZINC000187797628 263268750 /nfs/dbraw/zinc/26/87/50/263268750.db2.gz ZUDPCJJMISYTOA-LLVKDONJSA-N 0 1 280.462 3.966 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000187785129 263270396 /nfs/dbraw/zinc/27/03/96/263270396.db2.gz NHGWAQSQLCOCOY-UKRRQHHQSA-N 0 1 299.418 3.984 20 0 CHADMN CC[C@@H](F)CSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000440576588 263365656 /nfs/dbraw/zinc/36/56/56/263365656.db2.gz QYOBGQXXZXISRA-JYESYGNLSA-N 0 1 281.356 3.717 20 0 CHADMN Cc1cnc(CN[C@H](C)c2ccc(F)c3ccccc32)cn1 ZINC000342322459 263421565 /nfs/dbraw/zinc/42/15/65/263421565.db2.gz LSFLEVAEIOKCDH-CYBMUJFWSA-N 0 1 295.361 3.928 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2)C(C)C)nc(C)n1 ZINC000342810139 263523166 /nfs/dbraw/zinc/52/31/66/263523166.db2.gz OUSNZJQJZDFSNF-KRWDZBQOSA-N 0 1 269.392 3.580 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@@]3(CCCOC3)C2)c(F)c1 ZINC000425342046 264008816 /nfs/dbraw/zinc/00/88/16/264008816.db2.gz YDMRDUXLMZLQOL-QGZVFWFLSA-N 0 1 295.373 3.666 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)c1C ZINC000330797744 264041028 /nfs/dbraw/zinc/04/10/28/264041028.db2.gz GUONYMXBSRWASL-ZDUSSCGKSA-N 0 1 285.391 3.641 20 0 CHADMN CSc1ccc(CNCc2ccc3cc[nH]c3n2)s1 ZINC000353231736 264049387 /nfs/dbraw/zinc/04/93/87/264049387.db2.gz VBJSINRMPHTVNM-UHFFFAOYSA-N 0 1 289.429 3.636 20 0 CHADMN CC(C)[C@@H]1CCCC[C@@H]1NCc1nc(C(C)(C)C)no1 ZINC000330913740 264076261 /nfs/dbraw/zinc/07/62/61/264076261.db2.gz RYZDXKLHPMSHQM-STQMWFEESA-N 0 1 279.428 3.672 20 0 CHADMN C[C@H](CCCO)Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000126044034 264130959 /nfs/dbraw/zinc/13/09/59/264130959.db2.gz BMUQDHHENUYGFI-SNVBAGLBSA-N 0 1 298.308 3.827 20 0 CHADMN COCc1ccccc1/C=C(\C)CN1CC(CC(F)F)C1 ZINC000425364364 264137636 /nfs/dbraw/zinc/13/76/36/264137636.db2.gz FTFWBGWZPSCCCW-NTUHNPAUSA-N 0 1 295.373 3.823 20 0 CHADMN CCN(C)[C@@H](C(=O)N(C)c1cccc(C)c1)c1ccccc1 ZINC000518820232 264224595 /nfs/dbraw/zinc/22/45/95/264224595.db2.gz FBMRLFIVTDPYNM-GOSISDBHSA-N 0 1 296.414 3.651 20 0 CHADMN Cc1cc(NCCc2cscn2)c2cc(F)ccc2n1 ZINC000126723543 264228228 /nfs/dbraw/zinc/22/82/28/264228228.db2.gz CNEYPWLHFRPXSL-UHFFFAOYSA-N 0 1 287.363 3.793 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H](C)c1sc(C)nc1C ZINC000188786727 264241677 /nfs/dbraw/zinc/24/16/77/264241677.db2.gz OKKBSLJUOVYDKG-VHSXEESVSA-N 0 1 291.420 3.575 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H]1CCc2cc(F)ccc21 ZINC000188786853 264241700 /nfs/dbraw/zinc/24/17/00/264241700.db2.gz CNUJNKSOLKHGFL-BDJLRTHQSA-N 0 1 286.350 3.567 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H](C)c1ccsc1 ZINC000188784609 264241910 /nfs/dbraw/zinc/24/19/10/264241910.db2.gz OFQZVZPJLOBNEZ-QWRGUYRKSA-N 0 1 262.378 3.564 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H](C)c1cccs1 ZINC000188790458 264250027 /nfs/dbraw/zinc/25/00/27/264250027.db2.gz ZNZXWGJOVQVXSN-MNOVXSKESA-N 0 1 262.378 3.564 20 0 CHADMN CCOC[C@H](NCc1csc(C(C)(C)C)n1)C(C)C ZINC000188867863 264253841 /nfs/dbraw/zinc/25/38/41/264253841.db2.gz XUMDUYMOMVCSST-ZDUSSCGKSA-N 0 1 284.469 3.591 20 0 CHADMN CC(C)C[C@H]1CCCCCN1Cc1nc(C(F)F)no1 ZINC000425415679 264292946 /nfs/dbraw/zinc/29/29/46/264292946.db2.gz HAKDECIGKLUISW-LLVKDONJSA-N 0 1 287.354 3.798 20 0 CHADMN O=C(Nc1ccsc1Cl)c1cccc2cn[nH]c21 ZINC000189503309 264303382 /nfs/dbraw/zinc/30/33/82/264303382.db2.gz HWMRTINSDJGRCJ-UHFFFAOYSA-N 0 1 277.736 3.530 20 0 CHADMN Cc1nn(C)cc1[C@H](C)Nc1ccnc2cc(F)ccc21 ZINC000189600048 264311203 /nfs/dbraw/zinc/31/12/03/264311203.db2.gz FSRYXURNPXCOBK-JTQLQIEISA-N 0 1 284.338 3.589 20 0 CHADMN Cc1ccccc1Cc1nnc(CN[C@H]2CCCC[C@@H]2C)o1 ZINC000162444957 264322531 /nfs/dbraw/zinc/32/25/31/264322531.db2.gz SWCSADZEZUZZEG-HOCLYGCPSA-N 0 1 299.418 3.637 20 0 CHADMN CC[C@@H]1c2ccsc2CCN1Cc1cncc(C)c1 ZINC000189788251 264326429 /nfs/dbraw/zinc/32/64/29/264326429.db2.gz NHBUXILTHHRDBV-OAHLLOKOSA-N 0 1 272.417 3.961 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccncc1F)CC2 ZINC000334503219 264346233 /nfs/dbraw/zinc/34/62/33/264346233.db2.gz LWINQJHGLXKVTK-YVEFUNNKSA-N 0 1 270.351 3.867 20 0 CHADMN Cc1cccc(NCCc2nc3ccccc3s2)n1 ZINC000130991415 264365098 /nfs/dbraw/zinc/36/50/98/264365098.db2.gz YZFPXJQPKUDRHU-UHFFFAOYSA-N 0 1 269.373 3.654 20 0 CHADMN CC[C@H](C)CN[C@H](C)c1nc(C2CCCCC2)no1 ZINC000180241799 264394804 /nfs/dbraw/zinc/39/48/04/264394804.db2.gz WAHQVPXVAJZOGE-NWDGAFQWSA-N 0 1 265.401 3.814 20 0 CHADMN Cc1nc(C2(NC[C@@H]3C(C)=CCC[C@@H]3C)CCCC2)no1 ZINC000191104341 264464130 /nfs/dbraw/zinc/46/41/30/264464130.db2.gz CJYUINIWZCOFCC-DZGCQCFKSA-N 0 1 289.423 3.729 20 0 CHADMN Cc1ccc2ncc(C[N@@H+]3C[C@H](C(N)=O)CC[C@H]3C)cc2c1 ZINC000334566859 265051838 /nfs/dbraw/zinc/05/18/38/265051838.db2.gz QWZDIKKBIMWYDC-UKRRQHHQSA-N 0 1 297.402 3.679 20 0 CHADMN CCN1C(=O)N=NC1S[C@@H](C)c1c(C)cc(C)cc1C ZINC000518842572 265179752 /nfs/dbraw/zinc/17/97/52/265179752.db2.gz NVHNRHVKAMUENH-LBPRGKRZSA-N 0 1 291.420 3.782 20 0 CHADMN C[C@@H](N)c1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000011631711 265299765 /nfs/dbraw/zinc/29/97/65/265299765.db2.gz MKQZAJNWNFPJGA-SNVBAGLBSA-N 0 1 258.390 3.709 20 0 CHADMN CN(Cc1cnc(-c2ccccc2)[nH]1)Cc1ccccc1 ZINC000012356017 265330137 /nfs/dbraw/zinc/33/01/37/265330137.db2.gz FLEXGMXWJFAGQE-UHFFFAOYSA-N 0 1 277.371 3.709 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000519149790 265338133 /nfs/dbraw/zinc/33/81/33/265338133.db2.gz JOJJHDHBLAGTQK-HCKVZZMMSA-N 0 1 283.774 3.651 20 0 CHADMN CCCCc1noc([C@@H](C)N[C@H](CC)C(C)(C)C)n1 ZINC000519255981 265377335 /nfs/dbraw/zinc/37/73/35/265377335.db2.gz PLPCZAPSYNABSJ-VXGBXAGGSA-N 0 1 267.417 3.888 20 0 CHADMN CC(C)(C)C[N@@H+](Cc1ccccc1)Cc1cnccn1 ZINC000519336024 265398626 /nfs/dbraw/zinc/39/86/26/265398626.db2.gz YPBLJJZCNPAWBU-UHFFFAOYSA-N 0 1 269.392 3.525 20 0 CHADMN CC(C)(C)CN(Cc1ccccc1)Cc1cnccn1 ZINC000519336024 265398628 /nfs/dbraw/zinc/39/86/28/265398628.db2.gz YPBLJJZCNPAWBU-UHFFFAOYSA-N 0 1 269.392 3.525 20 0 CHADMN Cc1ccncc1CN(C)CCOc1cccc(Cl)c1 ZINC000353383697 266038792 /nfs/dbraw/zinc/03/87/92/266038792.db2.gz SFSBUBGUDDVDMO-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN CC1(C)CN(Cc2ccc3occc3c2)[C@H]1[C@@H]1CCCO1 ZINC000356254095 266081797 /nfs/dbraw/zinc/08/17/97/266081797.db2.gz GZRCUFIAWZUAJE-IRXDYDNUSA-N 0 1 285.387 3.822 20 0 CHADMN CCOc1ccc(CN2CCC(F)(F)[C@@H](C)C2)cc1OC ZINC000356267180 266084245 /nfs/dbraw/zinc/08/42/45/266084245.db2.gz XCHQROFVABRBRO-LBPRGKRZSA-N 0 1 299.361 3.571 20 0 CHADMN Cc1ccc(F)c(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000356512819 266128758 /nfs/dbraw/zinc/12/87/58/266128758.db2.gz BMSMGAHUUZPIBM-IRXDYDNUSA-N 0 1 289.394 3.668 20 0 CHADMN CSc1ccc(F)cc1CN[C@@H](C)c1cccnc1 ZINC000356653267 266154592 /nfs/dbraw/zinc/15/45/92/266154592.db2.gz ALQHWKNUYNPCNX-NSHDSACASA-N 0 1 276.380 3.793 20 0 CHADMN CC(C)N(C)C(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000356744059 266168987 /nfs/dbraw/zinc/16/89/87/266168987.db2.gz MYKLPVPNHVHILB-OAHLLOKOSA-N 0 1 298.430 3.527 20 0 CHADMN C[C@H]1C[C@@H](CNc2ccnc3cc(F)ccc32)CCO1 ZINC000356801781 266177203 /nfs/dbraw/zinc/17/72/03/266177203.db2.gz XBLQKRMHLQKGAK-RYUDHWBXSA-N 0 1 274.339 3.601 20 0 CHADMN CC(C)OC[C@H](C)N[C@H](c1ccccc1)c1ccccn1 ZINC000367245383 266184587 /nfs/dbraw/zinc/18/45/87/266184587.db2.gz WZOAINLLPBHDTC-MAUKXSAKSA-N 0 1 284.403 3.574 20 0 CHADMN C[C@@H](C1CCC1)N(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000356872184 266200257 /nfs/dbraw/zinc/20/02/57/266200257.db2.gz VHNMOZUJIWBYDX-LBPRGKRZSA-N 0 1 289.423 3.718 20 0 CHADMN CC(C)(C)n1cc(CNC2(c3ccc(F)cc3)CC2)cn1 ZINC000356882593 266203976 /nfs/dbraw/zinc/20/39/76/266203976.db2.gz SZCPKWASUCPASC-UHFFFAOYSA-N 0 1 287.382 3.556 20 0 CHADMN Fc1ccc(F)c(-c2nc(-c3ccc4[nH]cnc4c3)no2)c1 ZINC000356970147 266221877 /nfs/dbraw/zinc/22/18/77/266221877.db2.gz WRPWYZOQJREIFZ-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN Cc1nc(CN(C)C[C@@H]2CCC[C@@H](C)C2)cs1 ZINC000357005375 266230237 /nfs/dbraw/zinc/23/02/37/266230237.db2.gz AZSMXNNBTHAOHI-DGCLKSJQSA-N 0 1 252.427 3.710 20 0 CHADMN C[C@@H]1CCN(Cc2ccncc2Cl)CC12CCC2 ZINC000357019758 266233775 /nfs/dbraw/zinc/23/37/75/266233775.db2.gz CYGYZOSGGNPXFB-GFCCVEGCSA-N 0 1 264.800 3.747 20 0 CHADMN CCSc1cccc(F)c1NCc1n[nH]c(C2CC2)n1 ZINC000357281015 266270595 /nfs/dbraw/zinc/27/05/95/266270595.db2.gz XWWSCFOOAYVUSS-UHFFFAOYSA-N 0 1 292.383 3.545 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCCC(C)(C)CC2)c1 ZINC000357335210 266277729 /nfs/dbraw/zinc/27/77/29/266277729.db2.gz XEQIOYOHHFMGFE-UHFFFAOYSA-N 0 1 285.391 3.524 20 0 CHADMN Cc1nccc(N2CCc3ccccc3C2)c1Cl ZINC000357341953 266280087 /nfs/dbraw/zinc/28/00/87/266280087.db2.gz VTQIIYNNRVZDJB-UHFFFAOYSA-N 0 1 258.752 3.606 20 0 CHADMN CSc1cc(CNCc2cc(F)c(F)c(F)c2)ccn1 ZINC000357373930 266285969 /nfs/dbraw/zinc/28/59/69/266285969.db2.gz SRQKRWYKFXMFFC-UHFFFAOYSA-N 0 1 298.333 3.511 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1csc([C@@H](C)OC)n1 ZINC000357550990 266321310 /nfs/dbraw/zinc/32/13/10/266321310.db2.gz JFOYMWCHAHZQMH-NQBHXWOUSA-N 0 1 268.426 3.613 20 0 CHADMN C[C@@H](c1noc(-c2cc(-c3ccc(F)cc3)n[nH]2)n1)C1CC1 ZINC000357603548 266334259 /nfs/dbraw/zinc/33/42/59/266334259.db2.gz PJTGAOLYGLMRHQ-SECBINFHSA-N 0 1 298.321 3.779 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCCN(Cc1ccccn1)C1CC1 ZINC000357617197 266336842 /nfs/dbraw/zinc/33/68/42/266336842.db2.gz LIOSPAPEHPPEMW-QAPCUYQASA-N 0 1 288.435 3.641 20 0 CHADMN Cc1cc(N2CCC[C@@H](F)C2)c2cc(F)ccc2n1 ZINC000357684117 266346175 /nfs/dbraw/zinc/34/61/75/266346175.db2.gz JXCLLVYRUXLSBR-GFCCVEGCSA-N 0 1 262.303 3.621 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CCC[C@H](C)[C@@H]1C ZINC000357734056 266352561 /nfs/dbraw/zinc/35/25/61/266352561.db2.gz QTWRBBDYUCHXFD-STQMWFEESA-N 0 1 289.398 3.816 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1ccnc(SC)c1 ZINC000357849617 266376622 /nfs/dbraw/zinc/37/66/22/266376622.db2.gz JNKLEKSAZJBMLA-GFCCVEGCSA-N 0 1 288.416 3.663 20 0 CHADMN CCOC(=O)c1coc(-c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000358847099 266500565 /nfs/dbraw/zinc/50/05/65/266500565.db2.gz LJVGCLUONJQICS-UHFFFAOYSA-N 0 1 290.706 3.653 20 0 CHADMN CCCNc1ccccc1NC(=O)c1cccc2nc[nH]c21 ZINC000359854451 266647026 /nfs/dbraw/zinc/64/70/26/266647026.db2.gz KGSSJLYVVALPMU-UHFFFAOYSA-N 0 1 294.358 3.637 20 0 CHADMN CC[C@@H](NCc1cc(F)ccc1SC)c1cnn(C)c1 ZINC000361811321 266888273 /nfs/dbraw/zinc/88/82/73/266888273.db2.gz JCDZBGXUCIUMCH-CQSZACIVSA-N 0 1 293.411 3.522 20 0 CHADMN CCC1(CC)CCN(Cc2ccn(C(C)C)n2)CC1 ZINC000362584439 267010567 /nfs/dbraw/zinc/01/05/67/267010567.db2.gz UWQYPEQSHGYATN-UHFFFAOYSA-N 0 1 263.429 3.866 20 0 CHADMN C(C[C@H]1CCCN1Cc1nc(C2CC2)no1)C1CCCC1 ZINC000362960573 267067555 /nfs/dbraw/zinc/06/75/55/267067555.db2.gz PIRBAKKEDABJHJ-OAHLLOKOSA-N 0 1 289.423 3.882 20 0 CHADMN Cc1ccc(C(=O)C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000363244056 267080785 /nfs/dbraw/zinc/08/07/85/267080785.db2.gz CYRODSZRMPQDEO-UHFFFAOYSA-N 0 1 299.336 3.842 20 0 CHADMN CC(C)CN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000368341030 267164334 /nfs/dbraw/zinc/16/43/34/267164334.db2.gz DKJZHQVDIGJXAI-ZDUSSCGKSA-N 0 1 263.385 3.520 20 0 CHADMN COc1cccc(C2=CCN(Cc3c(C)noc3C)CC2)c1 ZINC000368821887 267207838 /nfs/dbraw/zinc/20/78/38/267207838.db2.gz DJADIFSFGWGXRA-UHFFFAOYSA-N 0 1 298.386 3.589 20 0 CHADMN Cc1cccc([C@@H]2CCCCCN2Cc2nccn2C)c1 ZINC000117897844 267225479 /nfs/dbraw/zinc/22/54/79/267225479.db2.gz MWGTVYAKDBMZID-KRWDZBQOSA-N 0 1 283.419 3.846 20 0 CHADMN FC1(c2cccc(Cl)c2)CCN(Cc2cnc[nH]2)CC1 ZINC000369609752 267254801 /nfs/dbraw/zinc/25/48/01/267254801.db2.gz SMIMSUMDDQQTPJ-UHFFFAOYSA-N 0 1 293.773 3.524 20 0 CHADMN C[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccc2c(c1)CCC2 ZINC000370049855 267286201 /nfs/dbraw/zinc/28/62/01/267286201.db2.gz LKYZMVUPJDCUBA-SJCJKPOMSA-N 0 1 281.403 3.627 20 0 CHADMN CCN(Cc1scnc1C)Cc1cccc(F)c1 ZINC000120020226 267352370 /nfs/dbraw/zinc/35/23/70/267352370.db2.gz RIYYWHFBALSVBX-UHFFFAOYSA-N 0 1 264.369 3.613 20 0 CHADMN CC(C)c1nc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)cs1 ZINC000418134016 267359510 /nfs/dbraw/zinc/35/95/10/267359510.db2.gz OKPMLLXWZHPZSQ-TUAOUCFPSA-N 0 1 252.427 3.743 20 0 CHADMN c1nc(CN2CCC[C@@]3(CC=CCC3)C2)oc1C1CC1 ZINC000371178515 267360904 /nfs/dbraw/zinc/36/09/04/267360904.db2.gz UBYSPCAEIBVFBS-KRWDZBQOSA-N 0 1 272.392 3.874 20 0 CHADMN C[C@H](F)CCN1CCCn2c(cc3ccccc32)C1 ZINC000376902539 268028522 /nfs/dbraw/zinc/02/85/22/268028522.db2.gz JOPTVHZOXZXEHG-ZDUSSCGKSA-N 0 1 260.356 3.595 20 0 CHADMN CCCCO[C@@H]1C[C@@H](NCc2ccn(C(C)C)n2)C1(C)C ZINC000570915271 327634056 /nfs/dbraw/zinc/63/40/56/327634056.db2.gz RCPWXHQCVUGTBR-HZPDHXFCSA-N 0 1 293.455 3.537 20 0 CHADMN CCCCN(CCCC)Cc1nnc(C(C)C)o1 ZINC000171142880 327664000 /nfs/dbraw/zinc/66/40/00/327664000.db2.gz URLHMKQRXVDTGV-UHFFFAOYSA-N 0 1 253.390 3.595 20 0 CHADMN Cc1cc([C@H](C)NCc2ccccc2N(C)C)c(C)o1 ZINC000171132997 327752132 /nfs/dbraw/zinc/75/21/32/327752132.db2.gz ZIYQCZNFRVJUAJ-ZDUSSCGKSA-N 0 1 272.392 3.813 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccc(Cl)nc2)c1 ZINC000179096460 327799232 /nfs/dbraw/zinc/79/92/32/327799232.db2.gz BATMJUIGPCYZAX-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccn1)c1ccc(Cl)nc1 ZINC000179093688 327799271 /nfs/dbraw/zinc/79/92/71/327799271.db2.gz LSGSCYQZYXTEFT-QWRGUYRKSA-N 0 1 261.756 3.542 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cncc(C)c1)CCCO2 ZINC000181842045 327810324 /nfs/dbraw/zinc/81/03/24/327810324.db2.gz MXPWBOZLCDGRRA-KRWDZBQOSA-N 0 1 282.387 3.702 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2sccc21)c1nccn1C ZINC000184661057 327832188 /nfs/dbraw/zinc/83/21/88/327832188.db2.gz XBVFUGLSWPKALP-CHWSQXEVSA-N 0 1 275.421 3.600 20 0 CHADMN CCCc1ccc(CN[C@@H](C)c2ccccn2)cc1 ZINC000194886416 327884424 /nfs/dbraw/zinc/88/44/24/327884424.db2.gz ONJDHOXFVBGAQQ-AWEZNQCLSA-N 0 1 254.377 3.885 20 0 CHADMN CCCc1csc(CNCCO[C@H]2CCCC[C@@H]2C)n1 ZINC000494368055 327902526 /nfs/dbraw/zinc/90/25/26/327902526.db2.gz KEWSSHHYAORBPR-ZFWWWQNUSA-N 0 1 296.480 3.781 20 0 CHADMN COC[C@H](NCc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000531444664 327908096 /nfs/dbraw/zinc/90/80/96/327908096.db2.gz XXVNKWVOUATUEU-INIZCTEOSA-N 0 1 293.769 3.956 20 0 CHADMN C[C@@H](NCc1cnc2ccccc2c1)c1cncc(F)c1 ZINC000337182081 327950650 /nfs/dbraw/zinc/95/06/50/327950650.db2.gz BFESCZKVRKYIGF-GFCCVEGCSA-N 0 1 281.334 3.620 20 0 CHADMN C[C@H]1C[N@@H+](CCCCCC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000563283024 328008641 /nfs/dbraw/zinc/00/86/41/328008641.db2.gz LZQCAWZZACJPAM-DOTOQJQBSA-N 0 1 289.419 3.757 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCCCC[C@H]2c2ccco2)c1 ZINC000563278208 328006542 /nfs/dbraw/zinc/00/65/42/328006542.db2.gz SHPGOZMHFFTACU-AWEZNQCLSA-N 0 1 289.331 3.688 20 0 CHADMN Cc1oc(C[N@H+](C)CC2CCC(C)CC2)cc1C(=O)[O-] ZINC000563283138 328007862 /nfs/dbraw/zinc/00/78/62/328007862.db2.gz OTSUPOCIZZUANI-UHFFFAOYSA-N 0 1 279.380 3.544 20 0 CHADMN C[C@H]1CN(Cc2c(Cl)ccc3cccnc32)[C@H]1C ZINC000339572583 328011695 /nfs/dbraw/zinc/01/16/95/328011695.db2.gz AGEFLHNQCGXQJQ-QWRGUYRKSA-N 0 1 260.768 3.728 20 0 CHADMN CCOc1cc(F)ccc1NCc1ccc2nc[nH]c2c1 ZINC000534094402 328034863 /nfs/dbraw/zinc/03/48/63/328034863.db2.gz QEAAHSIZUYZKKI-UHFFFAOYSA-N 0 1 285.322 3.713 20 0 CHADMN Cc1c(Br)cccc1CN(C)Cc1ccco1 ZINC000534135582 328035508 /nfs/dbraw/zinc/03/55/08/328035508.db2.gz NKULTJCKKLQZCF-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN Fc1ccc(Br)cc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000531802144 328037203 /nfs/dbraw/zinc/03/72/03/328037203.db2.gz SRVSJCICAMAOJJ-PHIMTYICSA-N 0 1 298.199 3.820 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1ccsc1 ZINC000063152465 328037566 /nfs/dbraw/zinc/03/75/66/328037566.db2.gz NPGIMARVDLUIML-GFCCVEGCSA-N 0 1 261.390 3.916 20 0 CHADMN C[C@@H](Sc1c[nH]nn1)c1ccc(C(C)(C)C)cc1 ZINC000531813553 328038043 /nfs/dbraw/zinc/03/80/43/328038043.db2.gz SECSVJWUWWPTDH-SNVBAGLBSA-N 0 1 261.394 3.956 20 0 CHADMN C[C@H]1CC[C@@]2(CCN(Cc3ncc(C(C)(C)C)o3)C2)C1 ZINC000541019231 328040572 /nfs/dbraw/zinc/04/05/72/328040572.db2.gz CUAOLEKJMHEBSV-SUMWQHHRSA-N 0 1 276.424 3.984 20 0 CHADMN COc1c(C)cc(C[N@@H+](C)CCOc2ccccc2)cc1C ZINC000110285636 328044214 /nfs/dbraw/zinc/04/42/14/328044214.db2.gz UPYDSZZKVPJHBE-UHFFFAOYSA-N 0 1 299.414 3.823 20 0 CHADMN CCCCN(CC)Cc1nc2ccccc2n1CC ZINC000534327198 328045945 /nfs/dbraw/zinc/04/59/45/328045945.db2.gz GTHPZRDTCBBPQI-UHFFFAOYSA-N 0 1 259.397 3.678 20 0 CHADMN Cc1ccc(CCC2CCN(Cc3ccn(C)n3)CC2)cc1 ZINC000534332806 328046720 /nfs/dbraw/zinc/04/67/20/328046720.db2.gz MSEFFVQYWRWFBP-UHFFFAOYSA-N 0 1 297.446 3.573 20 0 CHADMN CC(C)N(Cc1cc(O)ccc1Br)CC1CC1 ZINC000534337048 328049218 /nfs/dbraw/zinc/04/92/18/328049218.db2.gz LUFGRLOGQDFVSB-UHFFFAOYSA-N 0 1 298.224 3.775 20 0 CHADMN Cc1nsc(C)c1CN1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000563356718 328058015 /nfs/dbraw/zinc/05/80/15/328058015.db2.gz UHYKGOGCRSQDBJ-CABZTGNLSA-N 0 1 292.370 3.923 20 0 CHADMN CCc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)s1 ZINC000563362125 328058994 /nfs/dbraw/zinc/05/89/94/328058994.db2.gz KCVQICNXJRNIOH-RHSMWYFYSA-N 0 1 287.428 3.618 20 0 CHADMN Cc1ccc(F)cc1CN1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000563483915 328069210 /nfs/dbraw/zinc/06/92/10/328069210.db2.gz VQBLXXIWOZLIFJ-HZPDHXFCSA-N 0 1 277.383 3.524 20 0 CHADMN CC(C)C[N@H+](CCC(=O)[O-])CC[C@@H]1CCC[C@@H](C)C1 ZINC000571219257 328092720 /nfs/dbraw/zinc/09/27/20/328092720.db2.gz AMWWJFJTIWQYSR-CABCVRRESA-N 0 1 269.429 3.636 20 0 CHADMN Cc1cc(CN[C@H](C)c2cnn(C(C)C)c2)cs1 ZINC000571254009 328094824 /nfs/dbraw/zinc/09/48/24/328094824.db2.gz KPOVVKFCVPYALO-GFCCVEGCSA-N 0 1 263.410 3.685 20 0 CHADMN CC[C@H](C)N(C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000170953434 329072713 /nfs/dbraw/zinc/07/27/13/329072713.db2.gz MWILWPLTDGYQOI-JTQLQIEISA-N 0 1 279.771 3.620 20 0 CHADMN Cc1ccc2ncc(C[N@H+]3CC[C@@]4(C3)CCCOC4)cc2c1 ZINC000411764812 328099193 /nfs/dbraw/zinc/09/91/93/328099193.db2.gz GXSCLPWHGUIICP-LJQANCHMSA-N 0 1 296.414 3.546 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2CC(C)(C)C[C@@H]2C)c(C)c1 ZINC000412042101 328102070 /nfs/dbraw/zinc/10/20/70/328102070.db2.gz MFOKEZWKVZMLCF-HNNXBMFYSA-N 0 1 288.435 3.671 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000571335885 328111208 /nfs/dbraw/zinc/11/12/08/328111208.db2.gz FRKFXMNIAVNUHO-OAHLLOKOSA-N 0 1 299.370 3.575 20 0 CHADMN F[C@@H]1CCC[C@@H]1NCc1ccc(Cl)c(Cl)c1 ZINC000393474713 329092810 /nfs/dbraw/zinc/09/28/10/329092810.db2.gz OHWXXXLZVGNKRQ-NEPJUHHUSA-N 0 1 262.155 3.974 20 0 CHADMN Clc1ccccc1C1=CCN(CCOC2CCC2)CC1 ZINC000571591270 328136164 /nfs/dbraw/zinc/13/61/64/328136164.db2.gz UFYJXAWZOVFUMB-UHFFFAOYSA-N 0 1 291.822 3.998 20 0 CHADMN Cc1cc(CNCc2ccc(F)c(F)c2)cs1 ZINC000336712779 328136597 /nfs/dbraw/zinc/13/65/97/328136597.db2.gz QURCCLSXPXSKQS-UHFFFAOYSA-N 0 1 253.317 3.625 20 0 CHADMN CC(C)O[C@@H]1CCN([C@@H](C)c2cc(F)ccc2F)C1 ZINC000582485137 329096370 /nfs/dbraw/zinc/09/63/70/329096370.db2.gz XRBIJSGDFXRZBL-WCQYABFASA-N 0 1 269.335 3.525 20 0 CHADMN CC[C@H](O)CCN[C@H](C)c1csc(-c2ccccc2)n1 ZINC000414095867 328152378 /nfs/dbraw/zinc/15/23/78/328152378.db2.gz OEUYRWQKXGGPKF-OCCSQVGLSA-N 0 1 290.432 3.622 20 0 CHADMN Cc1occc1CN[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000414306242 328154341 /nfs/dbraw/zinc/15/43/41/328154341.db2.gz QXETVUYPYLDDQP-IAGOWNOFSA-N 0 1 271.360 3.598 20 0 CHADMN CCc1ncc(C[N@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)cn1 ZINC000414381837 328158998 /nfs/dbraw/zinc/15/89/98/328158998.db2.gz NHRBWSRPOUZHJI-GOSISDBHSA-N 0 1 295.430 3.993 20 0 CHADMN CCc1ncc(CN2CCC[C@@H]2c2ccc(C)c(C)c2)cn1 ZINC000414381837 328159000 /nfs/dbraw/zinc/15/90/00/328159000.db2.gz NHRBWSRPOUZHJI-GOSISDBHSA-N 0 1 295.430 3.993 20 0 CHADMN CCCOc1ccc(CNCc2ccoc2C)c(C)c1 ZINC000414436637 328169913 /nfs/dbraw/zinc/16/99/13/328169913.db2.gz OTZXMDBRRKKWJH-UHFFFAOYSA-N 0 1 273.376 3.975 20 0 CHADMN CCC[C@@H](NCc1ccc(F)cn1)c1ccccc1 ZINC000269017270 328188632 /nfs/dbraw/zinc/18/86/32/328188632.db2.gz ORMFOMLANZSQKO-MRXNPFEDSA-N 0 1 258.340 3.852 20 0 CHADMN CCC[C@](C)(CC)c1nc([C@@H](N)CC(C)C)no1 ZINC000414612291 328201371 /nfs/dbraw/zinc/20/13/71/328201371.db2.gz DKRMNVRXKTZHCH-FZMZJTMJSA-N 0 1 253.390 3.583 20 0 CHADMN Cc1cc(C)c(Cc2nc([C@@H](N)CC(C)C)no2)c(C)c1 ZINC000414616032 328202841 /nfs/dbraw/zinc/20/28/41/328202841.db2.gz JKSAAYORRGFJFR-HNNXBMFYSA-N 0 1 287.407 3.632 20 0 CHADMN CC1=C[C@@H](C)CN([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000430283900 328214141 /nfs/dbraw/zinc/21/41/41/328214141.db2.gz JURJVPCLZPUVAD-TZMCWYRMSA-N 0 1 283.375 3.696 20 0 CHADMN CC1=C[C@H](C)CN([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000430283898 328214182 /nfs/dbraw/zinc/21/41/82/328214182.db2.gz JURJVPCLZPUVAD-JSGCOSHPSA-N 0 1 283.375 3.696 20 0 CHADMN Fc1ccc(C(F)(F)F)cc1CNC1CC(F)(F)C1 ZINC000277712431 328221999 /nfs/dbraw/zinc/22/19/99/328221999.db2.gz SIXYEUODHKVCFQ-UHFFFAOYSA-N 0 1 283.215 3.732 20 0 CHADMN COCCC[C@H](NCc1ccco1)c1ccc(F)cc1 ZINC000281604026 328240012 /nfs/dbraw/zinc/24/00/12/328240012.db2.gz AOZDOFBQNCFCSU-INIZCTEOSA-N 0 1 277.339 3.676 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1NCc1cncn1C ZINC000285511275 328247787 /nfs/dbraw/zinc/24/77/87/328247787.db2.gz NNFGYZHCQOZHSB-UHFFFAOYSA-N 0 1 298.434 3.721 20 0 CHADMN CC(C)c1cccc(N[C@H](c2nnc[nH]2)c2cccnc2)c1 ZINC000340319846 328255480 /nfs/dbraw/zinc/25/54/80/328255480.db2.gz VBWMPGPHBJCSLQ-INIZCTEOSA-N 0 1 293.374 3.525 20 0 CHADMN Cc1ccc(SCCNCc2cc(F)ncc2F)cc1 ZINC000294880439 328283531 /nfs/dbraw/zinc/28/35/31/328283531.db2.gz XMOLVXWBULQCRT-UHFFFAOYSA-N 0 1 294.370 3.550 20 0 CHADMN Cc1ccccc1CN[C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000582145011 328301574 /nfs/dbraw/zinc/30/15/74/328301574.db2.gz LVVFYVMKIKVAQT-SJKOYZFVSA-N 0 1 271.335 3.746 20 0 CHADMN CC[C@H](NCC(F)(F)c1ccccc1)C1CCOCC1 ZINC000582151846 328304202 /nfs/dbraw/zinc/30/42/02/328304202.db2.gz SCJSGRSRPGSVAX-HNNXBMFYSA-N 0 1 283.362 3.573 20 0 CHADMN CC[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1cccs1 ZINC000048481985 328308759 /nfs/dbraw/zinc/30/87/59/328308759.db2.gz YLZZNFFVBVUACG-NSHDSACASA-N 0 1 295.791 3.988 20 0 CHADMN Cc1ccc2nc(-c3ccc(-n4cccn4)cc3)[nH]c2c1 ZINC000534631677 328331427 /nfs/dbraw/zinc/33/14/27/328331427.db2.gz ZYBWLSQFSNJRKK-UHFFFAOYSA-N 0 1 274.327 3.724 20 0 CHADMN CCCc1nc(CN[C@@H]2CCCC[C@@H]2C(C)(C)C)no1 ZINC000111173931 328332651 /nfs/dbraw/zinc/33/26/51/328332651.db2.gz FWQCGTODGWKGLI-QWHCGFSZSA-N 0 1 279.428 3.717 20 0 CHADMN Cc1cccc2nc(-c3cnn(-c4ccc(F)cc4)c3)[nH]c21 ZINC000534639907 328335374 /nfs/dbraw/zinc/33/53/74/328335374.db2.gz XJAAVHOYSQWFPA-UHFFFAOYSA-N 0 1 292.317 3.863 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000111356528 328352771 /nfs/dbraw/zinc/35/27/71/328352771.db2.gz IWBIXHROZPAQIF-VIFPVBQESA-N 0 1 295.789 3.680 20 0 CHADMN CC(C)CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000049237747 328352161 /nfs/dbraw/zinc/35/21/61/328352161.db2.gz UNGOBEJACIDJFE-UHFFFAOYSA-N 0 1 289.206 3.520 20 0 CHADMN C[C@H]1CC[C@H](CC(=O)Nc2cccc(Cl)c2O)C1 ZINC000534701849 328357371 /nfs/dbraw/zinc/35/73/71/328357371.db2.gz ZBKVXPNOBZWPCJ-UWVGGRQHSA-N 0 1 267.756 3.810 20 0 CHADMN CC[C@H](Cc1ccccc1)N(C)CC(=O)Nc1ccccc1 ZINC000303891735 328364097 /nfs/dbraw/zinc/36/40/97/328364097.db2.gz KJJQDZBLQXEDSQ-GOSISDBHSA-N 0 1 296.414 3.578 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(C)CC(=O)Nc1ccccc1 ZINC000303891737 328364267 /nfs/dbraw/zinc/36/42/67/328364267.db2.gz KJJQDZBLQXEDSQ-SFHVURJKSA-N 0 1 296.414 3.578 20 0 CHADMN CC[C@@]1(C)COCCN1Cc1cc(C)nc2ccccc12 ZINC000534860651 328365695 /nfs/dbraw/zinc/36/56/95/328365695.db2.gz PDJKZJNRJNSHGZ-SFHVURJKSA-N 0 1 284.403 3.544 20 0 CHADMN CCc1cc(CN[C@@H]2CC(C)(C)c3ccccc32)on1 ZINC000531976726 328369016 /nfs/dbraw/zinc/36/90/16/328369016.db2.gz ZXFLQNXINAUGQD-MRXNPFEDSA-N 0 1 270.376 3.749 20 0 CHADMN COc1cc(CN(C)Cc2ccc(C(C)C)cc2)ccn1 ZINC000534955968 328373658 /nfs/dbraw/zinc/37/36/58/328373658.db2.gz WSLGVDLDLRIOGP-UHFFFAOYSA-N 0 1 284.403 3.846 20 0 CHADMN Oc1cc(Cl)ccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000111687811 328374568 /nfs/dbraw/zinc/37/45/68/328374568.db2.gz TWYRQNTZQYYHIZ-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN Oc1ccc(-c2nc(Cc3cccs3)no2)cc1Cl ZINC000111688183 328374787 /nfs/dbraw/zinc/37/47/87/328374787.db2.gz ZETVJNNNJAJLCZ-UHFFFAOYSA-N 0 1 292.747 3.748 20 0 CHADMN C[C@@H]1C[C@@H]1CN(C)Cc1ccc(F)cc1Br ZINC000111734777 328377925 /nfs/dbraw/zinc/37/79/25/328377925.db2.gz AGSZKAPJDFEQFK-MWLCHTKSSA-N 0 1 286.188 3.676 20 0 CHADMN C[C@H](CN[C@@H](C)c1cscn1)Oc1ccc(Cl)cc1 ZINC000535063560 328382292 /nfs/dbraw/zinc/38/22/92/328382292.db2.gz AECGGVGTESJYMN-MNOVXSKESA-N 0 1 296.823 3.915 20 0 CHADMN CCN(Cc1scnc1C)Cc1ccc(C)cc1 ZINC000535072438 328383956 /nfs/dbraw/zinc/38/39/56/328383956.db2.gz MAYBVPMCZMCRON-UHFFFAOYSA-N 0 1 260.406 3.782 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C[C@H]2CC[C@H](C)C2)c1 ZINC000331238253 328478781 /nfs/dbraw/zinc/47/87/81/328478781.db2.gz NLRLDQXQJQMIEU-RYUDHWBXSA-N 0 1 289.375 3.750 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccccc2F)[C@H](C)O)c(C)c1 ZINC000575321874 335093417 /nfs/dbraw/zinc/09/34/17/335093417.db2.gz MJZYSPWJVLUTHD-KBXCAEBGSA-N 0 1 287.378 3.654 20 0 CHADMN Cc1nc(C2(NC[C@@H](C)c3ccccc3)CCCCC2)no1 ZINC000533488124 326841175 /nfs/dbraw/zinc/84/11/75/326841175.db2.gz AMUMLIFKXQSRSH-CQSZACIVSA-N 0 1 299.418 3.931 20 0 CHADMN CC(C)Oc1cccc(CNCc2ccccc2F)c1 ZINC000040443724 326859418 /nfs/dbraw/zinc/85/94/18/326859418.db2.gz BGXMAEYEEOFTNE-UHFFFAOYSA-N 0 1 273.351 3.903 20 0 CHADMN FC(F)(F)OCCNCc1cccc(Cl)c1Cl ZINC000398121859 326871986 /nfs/dbraw/zinc/87/19/86/326871986.db2.gz DULXZFVAMBAOCP-UHFFFAOYSA-N 0 1 288.096 3.619 20 0 CHADMN COC[C@@H](NCc1ccc(F)c(C)c1)c1ccc(F)cc1 ZINC000530729074 326887995 /nfs/dbraw/zinc/88/79/95/326887995.db2.gz BUSGGHITWRLKHP-QGZVFWFLSA-N 0 1 291.341 3.751 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)C(C)(C)C)c1cnccn1 ZINC000070478407 326916969 /nfs/dbraw/zinc/91/69/69/326916969.db2.gz PZZNLILSBYRKRZ-XJKSGUPXSA-N 0 1 269.392 3.915 20 0 CHADMN C[C@@H]1CCC[C@H](CN[C@H](c2ncc[nH]2)c2cccnc2)[C@@H]1C ZINC000564814272 326959666 /nfs/dbraw/zinc/95/96/66/326959666.db2.gz WVMFRGANYUZOFX-ANQUJSFKSA-N 0 1 298.434 3.556 20 0 CHADMN CCn1nc(C)c(CNCc2ccc3occc3c2)c1C ZINC000556837514 326970583 /nfs/dbraw/zinc/97/05/83/326970583.db2.gz OHRXIJMITRWPRB-UHFFFAOYSA-N 0 1 283.375 3.556 20 0 CHADMN CC(C)(C)[C@@H]1C[C@@H](Nc2cc3c(cn2)CCC3)CS1 ZINC000556958593 326985954 /nfs/dbraw/zinc/98/59/54/326985954.db2.gz HXXPPLFGBFKTJD-KGLIPLIRSA-N 0 1 276.449 3.902 20 0 CHADMN OC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000339747872 327015013 /nfs/dbraw/zinc/01/50/13/327015013.db2.gz BXOIHFRADHOWNO-NSHDSACASA-N 0 1 288.218 3.588 20 0 CHADMN OC[C@H]1CCCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000339747872 327015014 /nfs/dbraw/zinc/01/50/14/327015014.db2.gz BXOIHFRADHOWNO-NSHDSACASA-N 0 1 288.218 3.588 20 0 CHADMN Cc1ccc2nc(NC(=O)c3sccc3Cl)[nH]c2c1 ZINC000557809332 327028639 /nfs/dbraw/zinc/02/86/39/327028639.db2.gz TZDMJTYVEAEXET-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN COc1ccc(F)cc1CN(C)[C@@H]1CCc2ccccc21 ZINC000557923549 327035288 /nfs/dbraw/zinc/03/52/88/327035288.db2.gz QCSHQBOSINNYNK-QGZVFWFLSA-N 0 1 285.362 3.954 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2cccs2)s1 ZINC000584118921 327043042 /nfs/dbraw/zinc/04/30/42/327043042.db2.gz PYKYRWXXUHSKHU-LLVKDONJSA-N 0 1 293.413 3.845 20 0 CHADMN Cc1noc(C)c1CCN1CC(C)(C)[C@H]1c1cccs1 ZINC000558174988 327077051 /nfs/dbraw/zinc/07/70/51/327077051.db2.gz FOLWQBYAMYKJPN-OAHLLOKOSA-N 0 1 290.432 3.979 20 0 CHADMN CC(C)[C@@H]1CC[C@@H](NCc2nccc(C(F)F)n2)C[C@@H]1C ZINC000558292043 327085642 /nfs/dbraw/zinc/08/56/42/327085642.db2.gz CSNPSIPWGAHDSP-XQQFMLRXSA-N 0 1 297.393 3.965 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2C[C@H](C)n3ccnc32)s1 ZINC000345349393 327088828 /nfs/dbraw/zinc/08/88/28/327088828.db2.gz GJHZCUBOCQRANS-DLOVCJGASA-N 0 1 261.394 3.610 20 0 CHADMN CCC[C@@H](C)[C@@H](CO)NCc1csc(C2CCCC2)n1 ZINC000577180422 327089347 /nfs/dbraw/zinc/08/93/47/327089347.db2.gz FYYMWNBVPWSGIK-IUODEOHRSA-N 0 1 296.480 3.687 20 0 CHADMN COc1ccccc1/C=C\CN1CCCc2occc2C1 ZINC000558427391 327093655 /nfs/dbraw/zinc/09/36/55/327093655.db2.gz TYKQWPZZKTZZQI-DAXSKMNVSA-N 0 1 283.371 3.750 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1Cc1nc(C(C)(C)C)no1 ZINC000558562613 327105912 /nfs/dbraw/zinc/10/59/12/327105912.db2.gz FWDYENYBBWHXSK-STQMWFEESA-N 0 1 279.428 3.768 20 0 CHADMN Fc1ccc2c(c1)CN(C[C@@H]1CCC3(CCCC3)O1)CC2 ZINC000558725232 327117441 /nfs/dbraw/zinc/11/74/41/327117441.db2.gz IQWCWEWOUICORQ-KRWDZBQOSA-N 0 1 289.394 3.676 20 0 CHADMN CCCN(CCc1cccc(F)c1)Cc1ncc(C)o1 ZINC000075743353 327127466 /nfs/dbraw/zinc/12/74/66/327127466.db2.gz TZPFPPQUYBRLBC-UHFFFAOYSA-N 0 1 276.355 3.577 20 0 CHADMN CCS[C@H]1CC[C@@H](N(C)Cc2nc(C)cs2)C1 ZINC000088602525 327164728 /nfs/dbraw/zinc/16/47/28/327164728.db2.gz QFITWNAJQMWLDS-NEPJUHHUSA-N 0 1 270.467 3.558 20 0 CHADMN CC(C)Oc1ccc(CN2C[C@H](C)[C@H]2C)cc1Cl ZINC000559350968 327166725 /nfs/dbraw/zinc/16/67/25/327166725.db2.gz WFXHVDZIAPRUNL-NWDGAFQWSA-N 0 1 267.800 3.967 20 0 CHADMN CC(C)Oc1ccc(CN2C[C@@H](C)[C@@H]2C)cc1Cl ZINC000559350967 327166872 /nfs/dbraw/zinc/16/68/72/327166872.db2.gz WFXHVDZIAPRUNL-NEPJUHHUSA-N 0 1 267.800 3.967 20 0 CHADMN Cc1nc(CN[C@H]2c3ccccc3CCC[C@@H]2C)[nH]c1C ZINC000569379642 327169851 /nfs/dbraw/zinc/16/98/51/327169851.db2.gz LTKZKWHQQBWNKX-KPZWWZAWSA-N 0 1 283.419 3.830 20 0 CHADMN CO[C@@H](C)c1cccc(NC(=O)c2cccc3nc[nH]c32)c1 ZINC000159352618 327174691 /nfs/dbraw/zinc/17/46/91/327174691.db2.gz JGMNDLPWUCNHNJ-NSHDSACASA-N 0 1 295.342 3.523 20 0 CHADMN Cc1nc2ccc(NC(=O)c3ccc(C)cc3F)cc2[nH]1 ZINC000094203789 327182461 /nfs/dbraw/zinc/18/24/61/327182461.db2.gz NERURAUURARRHW-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN CC(C)(C)CCC[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000569492150 327185305 /nfs/dbraw/zinc/18/53/05/327185305.db2.gz BLRUSMUUIQDCRC-HZPDHXFCSA-N 0 1 289.419 3.613 20 0 CHADMN Cc1ncsc1CN(CCC(F)(F)F)CC1CC1 ZINC000091901883 327187235 /nfs/dbraw/zinc/18/72/35/327187235.db2.gz QVMJLKDCBLEQDH-UHFFFAOYSA-N 0 1 278.343 3.616 20 0 CHADMN Cc1cccc(-c2noc(CN3CC[C@H](CC4CC4)C3)n2)c1 ZINC000559420248 327244678 /nfs/dbraw/zinc/24/46/78/327244678.db2.gz SBCGPURQVXGYLL-OAHLLOKOSA-N 0 1 297.402 3.667 20 0 CHADMN CC(C)(C)c1cc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)no1 ZINC000559432467 327244844 /nfs/dbraw/zinc/24/48/44/327244844.db2.gz TWTFXYKBEHGEEM-KGLIPLIRSA-N 0 1 276.424 3.983 20 0 CHADMN Cc1nnsc1CN1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000573729395 327254116 /nfs/dbraw/zinc/25/41/16/327254116.db2.gz FYYYGNRXJUNQFV-WFASDCNBSA-N 0 1 287.432 3.615 20 0 CHADMN Cc1nsc(C)c1CN(C)[C@@H]1CCc2ccccc21 ZINC000559638022 327255932 /nfs/dbraw/zinc/25/59/32/327255932.db2.gz PTKPIBJTGYEGBK-MRXNPFEDSA-N 0 1 272.417 3.879 20 0 CHADMN CCn1c2ccccc2nc1C[N@H+]1CCCC12CCC2 ZINC000564406242 327263481 /nfs/dbraw/zinc/26/34/81/327263481.db2.gz MIOGSQQGHYESMB-UHFFFAOYSA-N 0 1 269.392 3.575 20 0 CHADMN CCn1cc([C@H](C)N[C@H](C)c2ccc(F)c(F)c2)cn1 ZINC000044496435 327267355 /nfs/dbraw/zinc/26/73/55/327267355.db2.gz QUWKTPNMBLKIPQ-MNOVXSKESA-N 0 1 279.334 3.593 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnn(CC)c1)c1ccccc1OC ZINC000044496985 327267498 /nfs/dbraw/zinc/26/74/98/327267498.db2.gz DTMXPOFUOFDMMC-BBRMVZONSA-N 0 1 287.407 3.714 20 0 CHADMN C[C@@H](N[C@H](C)c1cc2ccccc2o1)c1cnn(C)c1 ZINC000044497470 327267696 /nfs/dbraw/zinc/26/76/96/327267696.db2.gz AAXJNPLPCJZIPO-VXGBXAGGSA-N 0 1 269.348 3.578 20 0 CHADMN Cc1ccc(C[C@H](NCC(C)(F)F)C(C)C)cc1 ZINC000559890494 327268224 /nfs/dbraw/zinc/26/82/24/327268224.db2.gz CEZDQBWCJJSAPE-AWEZNQCLSA-N 0 1 255.352 3.807 20 0 CHADMN COC(C)(C)CCSc1nc(-c2ccccc2F)n[nH]1 ZINC000559946914 327273005 /nfs/dbraw/zinc/27/30/05/327273005.db2.gz KIHJECJLJUKQPF-UHFFFAOYSA-N 0 1 295.383 3.518 20 0 CHADMN CCOc1cc(NCc2ccc3nc[nH]c3c2)ccc1C ZINC000560070432 327282544 /nfs/dbraw/zinc/28/25/44/327282544.db2.gz JFJSCIDTSWRZIX-UHFFFAOYSA-N 0 1 281.359 3.882 20 0 CHADMN CC[C@@H]1CCC[C@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000560341985 327301534 /nfs/dbraw/zinc/30/15/34/327301534.db2.gz NLRDJDNRKCFQHF-ZYHUDNBSSA-N 0 1 282.347 3.907 20 0 CHADMN Fc1cccc(CNc2nccn2Cc2ccccc2)c1F ZINC000560459754 327309825 /nfs/dbraw/zinc/30/98/25/327309825.db2.gz OTWSHNLECUJJQS-UHFFFAOYSA-N 0 1 299.324 3.822 20 0 CHADMN CCc1ncc(C[N@H+]2Cc3ccccc3C(C)(C)C2)s1 ZINC000560547056 327323081 /nfs/dbraw/zinc/32/30/81/327323081.db2.gz GQSGPRXYMMTBHB-UHFFFAOYSA-N 0 1 286.444 3.999 20 0 CHADMN CCc1ncc(CN2Cc3ccccc3C(C)(C)C2)s1 ZINC000560547056 327323082 /nfs/dbraw/zinc/32/30/82/327323082.db2.gz GQSGPRXYMMTBHB-UHFFFAOYSA-N 0 1 286.444 3.999 20 0 CHADMN CC(C)(C)C[C@@H]1CCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000566358748 327334796 /nfs/dbraw/zinc/33/47/96/327334796.db2.gz LZDRFVUCYWMYMR-HNNXBMFYSA-N 0 1 289.419 3.828 20 0 CHADMN C[N@@H+](Cc1ccccc1-c1ccccc1)CC1(C(=O)[O-])CC1 ZINC000566359512 327335964 /nfs/dbraw/zinc/33/59/64/327335964.db2.gz XLGMDKJIFHVSFU-UHFFFAOYSA-N 0 1 295.382 3.650 20 0 CHADMN Fc1cccc([C@H]2CCN(Cc3nc4ccccc4o3)C2)c1 ZINC000560675481 327336059 /nfs/dbraw/zinc/33/60/59/327336059.db2.gz LYHDUEHQEJYGPP-AWEZNQCLSA-N 0 1 296.345 3.956 20 0 CHADMN CCCC[C@H](CC)C[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1 ZINC000566362415 327337470 /nfs/dbraw/zinc/33/74/70/327337470.db2.gz UDVWOIUJFPLRKQ-AWEZNQCLSA-N 0 1 295.398 3.929 20 0 CHADMN C[C@H]1C[C@H](CC[N@H+]2CCC[C@](C)(C(=O)[O-])C2)C[C@@H](C)C1 ZINC000582127420 327346231 /nfs/dbraw/zinc/34/62/31/327346231.db2.gz UVAAQPQCNLVHCJ-HWMZRRJGSA-N 0 1 281.440 3.636 20 0 CHADMN COC(=O)c1cc(CN(C)[C@@H]2C=CCCCCC2)oc1C ZINC000561009517 327357927 /nfs/dbraw/zinc/35/79/27/327357927.db2.gz OAAAHDUFOBBRNX-CQSZACIVSA-N 0 1 291.391 3.695 20 0 CHADMN CCc1ccc(CN[C@H](c2ccccc2F)[C@@H](C)O)cc1 ZINC000574761669 327375560 /nfs/dbraw/zinc/37/55/60/327375560.db2.gz LPQQQDRMOGKDLQ-ACJLOTCBSA-N 0 1 287.378 3.600 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000569623316 327383908 /nfs/dbraw/zinc/38/39/08/327383908.db2.gz OPMWERMHRJVVMY-NEPJUHHUSA-N 0 1 279.355 3.534 20 0 CHADMN CCc1ccc(NC(=O)C(C)(C)c2cnc[nH]2)cc1Cl ZINC000561327716 327386076 /nfs/dbraw/zinc/38/60/76/327386076.db2.gz XVKVSADRLRNZCG-UHFFFAOYSA-N 0 1 291.782 3.542 20 0 CHADMN COCc1ccc(CN2CC[C@](F)(c3ccccc3)C2)cc1 ZINC000561484939 327398181 /nfs/dbraw/zinc/39/81/81/327398181.db2.gz BPHUUZYUGLTOGU-LJQANCHMSA-N 0 1 299.389 3.904 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccn(C(C)C)n1)[C@@H](C)C2 ZINC000561493853 327399324 /nfs/dbraw/zinc/39/93/24/327399324.db2.gz PCFQFCJWXUJBLO-KSSFIOAISA-N 0 1 283.419 3.796 20 0 CHADMN CC[C@H]1C[C@@]1(NCc1cc(C)ncn1)c1cccc(C)c1 ZINC000428958940 327405894 /nfs/dbraw/zinc/40/58/94/327405894.db2.gz FJRZJJQWXKPILA-YJBOKZPZSA-N 0 1 281.403 3.508 20 0 CHADMN CC1(CN[C@@H](c2nccs2)c2ccccc2)CC1 ZINC000562346612 327474428 /nfs/dbraw/zinc/47/44/28/327474428.db2.gz VCPPYKREGHTUSC-CYBMUJFWSA-N 0 1 258.390 3.622 20 0 CHADMN C[C@@H](NCc1ccccc1CO)c1ccc(F)c(Cl)c1 ZINC000151795112 327507287 /nfs/dbraw/zinc/50/72/87/327507287.db2.gz YZBOVHHAIFEROW-LLVKDONJSA-N 0 1 293.769 3.822 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc3c(n2)CCC3)cc1F ZINC000570296300 327582145 /nfs/dbraw/zinc/58/21/45/327582145.db2.gz PQGDVYSXWRBXKH-CYBMUJFWSA-N 0 1 284.378 3.869 20 0 CHADMN CCOc1cccc(CN[C@@H](C)c2ncccc2CC)c1 ZINC000507504710 332810483 /nfs/dbraw/zinc/81/04/83/332810483.db2.gz CLDOBVMAMCBICB-AWEZNQCLSA-N 0 1 284.403 3.894 20 0 CHADMN C[C@@H](NCc1ccccc1CO)c1ccc(Cl)c(F)c1 ZINC000535776885 328630610 /nfs/dbraw/zinc/63/06/10/328630610.db2.gz KKSNEZHSAJJDTG-LLVKDONJSA-N 0 1 293.769 3.822 20 0 CHADMN CC1(C)CC(CN[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000527349848 328661854 /nfs/dbraw/zinc/66/18/54/328661854.db2.gz IEKGJVMXGKLIHP-OAHLLOKOSA-N 0 1 269.392 3.525 20 0 CHADMN Cc1cccnc1[C@@H](NCc1ccccc1N(C)C)C(C)C ZINC000115622726 328664254 /nfs/dbraw/zinc/66/42/54/328664254.db2.gz FSNOHQQPCGCGRD-SFHVURJKSA-N 0 1 297.446 3.943 20 0 CHADMN Oc1ccc(Cl)cc1-c1nc(CC2CCCC2)no1 ZINC000379162043 328682624 /nfs/dbraw/zinc/68/26/24/328682624.db2.gz KKBRXMMAEFPBOF-UHFFFAOYSA-N 0 1 278.739 3.828 20 0 CHADMN CC(C)Oc1cccc([C@H](C)N[C@H](C)c2ccncn2)c1 ZINC000395824600 328761217 /nfs/dbraw/zinc/76/12/17/328761217.db2.gz RKMYDTVQBCORGB-UONOGXRCSA-N 0 1 285.391 3.676 20 0 CHADMN CCCC1(C(=O)Nc2cccc(Cl)c2O)CCC1 ZINC000532343001 328771807 /nfs/dbraw/zinc/77/18/07/328771807.db2.gz IDFNHPQNJRTCLC-UHFFFAOYSA-N 0 1 267.756 3.955 20 0 CHADMN C[C@H](N[C@H]1CCC[C@H](C(F)(F)F)C1)C(C)(F)F ZINC000389458908 328847263 /nfs/dbraw/zinc/84/72/63/328847263.db2.gz DBZRNWBDDCPOLI-CIUDSAMLSA-N 0 1 259.262 3.741 20 0 CHADMN CSc1cc(CN[C@H](C)c2cc(F)cc(F)c2)ccn1 ZINC000357858992 328877660 /nfs/dbraw/zinc/87/76/60/328877660.db2.gz YDPWXSODCUXXKQ-SNVBAGLBSA-N 0 1 294.370 3.933 20 0 CHADMN CC(C)(C)c1cc(CN2CC[C@H](c3ccco3)C2)no1 ZINC000377878526 329032864 /nfs/dbraw/zinc/03/28/64/329032864.db2.gz JPTLTZWTTTUNMB-LBPRGKRZSA-N 0 1 274.364 3.555 20 0 CHADMN CCCCC[C@@H](C)CC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000378078174 329038940 /nfs/dbraw/zinc/03/89/40/329038940.db2.gz NXFYAEBSMNMDQZ-CQSZACIVSA-N 0 1 291.439 3.722 20 0 CHADMN CC1(C)CCC(CC(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000378242032 329043945 /nfs/dbraw/zinc/04/39/45/329043945.db2.gz IKBDOSANAQVNBC-CQSZACIVSA-N 0 1 289.423 3.510 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N2CCC3(CC3)CC2)n1 ZINC000378325293 329046178 /nfs/dbraw/zinc/04/61/78/329046178.db2.gz DGQRPLSDJXOZRS-AWEZNQCLSA-N 0 1 297.402 3.982 20 0 CHADMN c1csc([C@@H]2CCCN2Cc2cccc3[nH]ccc32)n1 ZINC000378336087 329046351 /nfs/dbraw/zinc/04/63/51/329046351.db2.gz NDXLELLFSDQODN-HNNXBMFYSA-N 0 1 283.400 3.962 20 0 CHADMN CCCC(=CC(=O)N1CCC(c2cnc[nH]2)CC1)CCC ZINC000378428021 329049966 /nfs/dbraw/zinc/04/99/66/329049966.db2.gz QWZDZZJLEDRDNK-UHFFFAOYSA-N 0 1 289.423 3.642 20 0 CHADMN CCC[C@H](C)C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000378519789 329053839 /nfs/dbraw/zinc/05/38/39/329053839.db2.gz KEJKTGAVUZTQBU-LBPRGKRZSA-N 0 1 272.392 3.539 20 0 CHADMN CSCc1ccc(NC(=O)c2cn[nH]c2C(C)C)cc1 ZINC000193533534 329058755 /nfs/dbraw/zinc/05/87/55/329058755.db2.gz IEHCMKPVCBKJPJ-UHFFFAOYSA-N 0 1 289.404 3.648 20 0 CHADMN C[C@@H](SCc1n[nH]c(C2CC2)n1)c1ccc(F)cc1F ZINC000193623195 329060070 /nfs/dbraw/zinc/06/00/70/329060070.db2.gz FAIFGMDAIGXFQP-MRVPVSSYSA-N 0 1 295.358 3.955 20 0 CHADMN C=Cn1cc(CN(C)Cc2csc3ccccc23)cn1 ZINC000193676163 329060747 /nfs/dbraw/zinc/06/07/47/329060747.db2.gz KIEQVKGNCRYQIF-UHFFFAOYSA-N 0 1 283.400 3.830 20 0 CHADMN C=Cn1cc(CN2CC[C@@H](C)C[C@H]2c2ccc(C)o2)cn1 ZINC000194056064 329065224 /nfs/dbraw/zinc/06/52/24/329065224.db2.gz UGPPJAWJDINXAR-CJNGLKHVSA-N 0 1 285.391 3.858 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](CC2CCCCC2)C2CC2)o1 ZINC000583698961 329069530 /nfs/dbraw/zinc/06/95/30/329069530.db2.gz WVJYAIBGGHFLRL-UHFFFAOYSA-N 0 1 277.364 3.523 20 0 CHADMN CC(C)Oc1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000171033439 329074291 /nfs/dbraw/zinc/07/42/91/329074291.db2.gz WGAIKPWOCFFSDI-INIZCTEOSA-N 0 1 299.418 3.577 20 0 CHADMN Fc1ccc(-c2nc(CN3CCCCC3)co2)cc1F ZINC000171498537 329076722 /nfs/dbraw/zinc/07/67/22/329076722.db2.gz QDBZQPJXEYHCGN-UHFFFAOYSA-N 0 1 278.302 3.606 20 0 CHADMN CCC[N@@H+](Cc1coc(-c2ccc(OC)cc2)n1)C1CC1 ZINC000171679976 329078222 /nfs/dbraw/zinc/07/82/22/329078222.db2.gz BDLIGKYCRDQITJ-UHFFFAOYSA-N 0 1 286.375 3.725 20 0 CHADMN CCCN(Cc1coc(-c2ccc(OC)cc2)n1)C1CC1 ZINC000171679976 329078223 /nfs/dbraw/zinc/07/82/23/329078223.db2.gz BDLIGKYCRDQITJ-UHFFFAOYSA-N 0 1 286.375 3.725 20 0 CHADMN Fc1ccc(CN[C@@H]2CCC[C@@H]2F)cc1Br ZINC000393446734 329092532 /nfs/dbraw/zinc/09/25/32/329092532.db2.gz AQFXJIGPBUUVJC-NWDGAFQWSA-N 0 1 290.151 3.568 20 0 CHADMN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CC1CCCCC1 ZINC000582617057 329118525 /nfs/dbraw/zinc/11/85/25/329118525.db2.gz LUMFFZWXAGURPJ-DLBZAZTESA-N 0 1 293.451 3.922 20 0 CHADMN C[C@@H](NC1CC(C)(C)C1)c1nc(-c2cccc(F)c2)no1 ZINC000582643468 329119328 /nfs/dbraw/zinc/11/93/28/329119328.db2.gz BRMRENQLLBQFPG-SNVBAGLBSA-N 0 1 289.354 3.715 20 0 CHADMN Cc1nc2ccccn2c1CNC(C)(C)c1ccccc1F ZINC000429253230 329168076 /nfs/dbraw/zinc/16/80/76/329168076.db2.gz NIXJUURCUZHKPL-UHFFFAOYSA-N 0 1 297.377 3.807 20 0 CHADMN CC(C)c1cc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)n[nH]1 ZINC000176535957 329176747 /nfs/dbraw/zinc/17/67/47/329176747.db2.gz SGMVLBXGLWJHHW-ZFWWWQNUSA-N 0 1 297.402 3.551 20 0 CHADMN Fc1ccc(CN2CCOC[C@@H](C3CCC3)C2)cc1Cl ZINC000429264146 329184597 /nfs/dbraw/zinc/18/45/97/329184597.db2.gz LTGBLUIXMANHNC-AWEZNQCLSA-N 0 1 297.801 3.728 20 0 CHADMN Cc1cc(CN(C)[C@@H]2CCCc3c2cnn3C)c(C)s1 ZINC000178491936 329197456 /nfs/dbraw/zinc/19/74/56/329197456.db2.gz HXTULRCOFZKXPV-OAHLLOKOSA-N 0 1 289.448 3.608 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1Cc1nc(C(C)C)no1 ZINC000178555833 329198361 /nfs/dbraw/zinc/19/83/61/329198361.db2.gz MSKHUCWVWUZUKT-QWHCGFSZSA-N 0 1 265.401 3.594 20 0 CHADMN Cc1ccc(CN2CCC(C(=O)c3ccccc3)CC2)o1 ZINC000179878389 329213086 /nfs/dbraw/zinc/21/30/86/329213086.db2.gz YAKJUPLULJYIQF-UHFFFAOYSA-N 0 1 283.371 3.683 20 0 CHADMN CCCCCN(CCCOC)Cc1ccncc1Cl ZINC000183284439 329249245 /nfs/dbraw/zinc/24/92/45/329249245.db2.gz HNNUHMWDUUNQFT-UHFFFAOYSA-N 0 1 284.831 3.764 20 0 CHADMN CC(C)(C)[C@@H](CCO)NCc1csc(C2CCCC2)n1 ZINC000183675447 329251758 /nfs/dbraw/zinc/25/17/58/329251758.db2.gz CUHSSPGWTPOLCZ-CQSZACIVSA-N 0 1 296.480 3.687 20 0 CHADMN C[C@H]1SCC[N@@H+](Cc2ccc(C(F)F)cc2)[C@H]1C ZINC000183948622 329254946 /nfs/dbraw/zinc/25/49/46/329254946.db2.gz INQAOIOOYBZJML-WDEREUQCSA-N 0 1 271.376 3.950 20 0 CHADMN C[C@@H]1C[C@H](c2cccnc2)N(Cc2cccc(F)c2)C1 ZINC000184896803 329263706 /nfs/dbraw/zinc/26/37/06/329263706.db2.gz NRRSVMKLPYWZHF-CXAGYDPISA-N 0 1 270.351 3.804 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2CCC[C@H]1C)c1nccn1C ZINC000185285298 329270153 /nfs/dbraw/zinc/27/01/53/329270153.db2.gz VLZOHRDEXMUCCK-JKIFEVAISA-N 0 1 283.419 3.784 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000582909471 329286863 /nfs/dbraw/zinc/28/68/63/329286863.db2.gz MXWDYWNLZMIUCS-QGZVFWFLSA-N 0 1 289.419 3.729 20 0 CHADMN CC(C)[C@H]1CCCCN1Cc1ccc(Br)cn1 ZINC000395904671 329301950 /nfs/dbraw/zinc/30/19/50/329301950.db2.gz UERMDIKSZWBYCQ-CQSZACIVSA-N 0 1 297.240 3.855 20 0 CHADMN CC1(C[N@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])CCC1 ZINC000583036236 329306498 /nfs/dbraw/zinc/30/64/98/329306498.db2.gz DYKLBLIKKAZBKK-LSDHHAIUSA-N 0 1 279.424 3.532 20 0 CHADMN CC(C)C1CCN(Cc2ccc(Cl)cn2)CC1 ZINC000583075555 329310794 /nfs/dbraw/zinc/31/07/94/329310794.db2.gz OKPIKXTXWVCNEW-UHFFFAOYSA-N 0 1 252.789 3.603 20 0 CHADMN FC1(F)CCCC[C@H]1COc1ccccc1-c1nnc[nH]1 ZINC000583133241 329318875 /nfs/dbraw/zinc/31/88/75/329318875.db2.gz BUFLYPWTIIDLDT-NSHDSACASA-N 0 1 293.317 3.676 20 0 CHADMN FC1(F)CCCC[C@@H]1COc1ccccc1-c1nnc[nH]1 ZINC000583133240 329318919 /nfs/dbraw/zinc/31/89/19/329318919.db2.gz BUFLYPWTIIDLDT-LLVKDONJSA-N 0 1 293.317 3.676 20 0 CHADMN CCSc1cccc(C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000186179682 329338997 /nfs/dbraw/zinc/33/89/97/329338997.db2.gz VMVQDNKZHASLGA-ZDUSSCGKSA-N 0 1 267.463 3.736 20 0 CHADMN CC1CCC(NCc2cc(COC(C)(C)C)on2)CC1 ZINC000186413911 329342044 /nfs/dbraw/zinc/34/20/44/329342044.db2.gz QWZHAJGYCMNIOJ-UHFFFAOYSA-N 0 1 280.412 3.658 20 0 CHADMN CCc1nc(CS[C@H](C)c2ccc(F)cc2)n[nH]1 ZINC000186597609 329345981 /nfs/dbraw/zinc/34/59/81/329345981.db2.gz BVJCCAPTVHLAOI-SECBINFHSA-N 0 1 265.357 3.501 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(C)nc2C)s1 ZINC000186940158 329350581 /nfs/dbraw/zinc/35/05/81/329350581.db2.gz SMLDSNYOQRFHQF-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN CCCc1cccc(CN(C)[C@@H](C)c2cnn(C)c2)c1 ZINC000187364105 329355585 /nfs/dbraw/zinc/35/55/85/329355585.db2.gz WQKYRDOHCJQANX-AWEZNQCLSA-N 0 1 271.408 3.566 20 0 CHADMN c1cc(NCc2n[nH]c(C3CC3)n2)cc(OC2CCCC2)c1 ZINC000187402454 329357374 /nfs/dbraw/zinc/35/73/74/329357374.db2.gz OFXLVNCIRKIARG-UHFFFAOYSA-N 0 1 298.390 3.616 20 0 CHADMN C[N@@H+](CCCCCC(=O)[O-])Cc1csc2ccccc12 ZINC000583209570 329367640 /nfs/dbraw/zinc/36/76/40/329367640.db2.gz QYMHVOMXCSQPOP-UHFFFAOYSA-N 0 1 291.416 3.978 20 0 CHADMN CCC1(CC)CCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000188611006 329371207 /nfs/dbraw/zinc/37/12/07/329371207.db2.gz YQHUUYJGJXCKAZ-UHFFFAOYSA-N 0 1 285.391 3.605 20 0 CHADMN Cc1[nH]ncc1CNc1cc(Br)c(F)cc1C ZINC000188887627 329374031 /nfs/dbraw/zinc/37/40/31/329374031.db2.gz DXOQYLYTPAOYGH-UHFFFAOYSA-N 0 1 298.159 3.540 20 0 CHADMN CN(CC(=O)Nc1cc(Cl)ccc1F)C1CC(C)(C)C1 ZINC000459737948 329376269 /nfs/dbraw/zinc/37/62/69/329376269.db2.gz IOWLLLJCAVCMPL-UHFFFAOYSA-N 0 1 298.789 3.538 20 0 CHADMN CCOC[C@H](N[C@@H](C)c1csc(C(C)C)n1)C(C)C ZINC000189350901 329379955 /nfs/dbraw/zinc/37/99/55/329379955.db2.gz OFSHFRGDABYHGY-STQMWFEESA-N 0 1 284.469 3.978 20 0 CHADMN Cc1cccc2c1OCC[C@H]2N[C@H](C)c1ccncc1 ZINC000189377731 329380349 /nfs/dbraw/zinc/38/03/49/329380349.db2.gz TZNPLKPXJLVQKQ-CZUORRHYSA-N 0 1 268.360 3.564 20 0 CHADMN Cc1cccc2c1OCC[C@H]2N[C@@H](C)c1cncc(F)c1 ZINC000189367130 329380372 /nfs/dbraw/zinc/38/03/72/329380372.db2.gz KUTJCKDLXODWRJ-BLLLJJGKSA-N 0 1 286.350 3.704 20 0 CHADMN Cc1c(Cl)cc(NCc2n[nH]c(C3CC3)n2)cc1Cl ZINC000190357731 329395224 /nfs/dbraw/zinc/39/52/24/329395224.db2.gz JFKNQKFXPKBPCS-UHFFFAOYSA-N 0 1 297.189 3.909 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)C[C@@H]1CC[C@@H](C)O1 ZINC000190399502 329397987 /nfs/dbraw/zinc/39/79/87/329397987.db2.gz POMXPXRUCUNPRD-MDZLAQPJSA-N 0 1 269.335 3.525 20 0 CHADMN NC1(c2noc(CC/C=C/c3ccccc3)n2)CCCCC1 ZINC000584404985 329458049 /nfs/dbraw/zinc/45/80/49/329458049.db2.gz GCJCQSVPLYHCDB-VZUCSPMQSA-N 0 1 297.402 3.834 20 0 CHADMN CCOc1ccccc1[C@@H](CC)N[C@@H](C)c1cncnc1C ZINC000583762907 329475589 /nfs/dbraw/zinc/47/55/89/329475589.db2.gz JPQIZTMZBHFTTP-WMLDXEAASA-N 0 1 299.418 3.986 20 0 CHADMN Fc1cc(Br)cc(CN2C[C@H]3CCC[C@@H]3C2)c1 ZINC000148088033 329532888 /nfs/dbraw/zinc/53/28/88/329532888.db2.gz HOZSYSPGLQUDIU-VXGBXAGGSA-N 0 1 298.199 3.820 20 0 CHADMN Brc1ccc(CN2C[C@H]3CCC[C@@H]3C2)s1 ZINC000148092686 329561824 /nfs/dbraw/zinc/56/18/24/329561824.db2.gz HBZQXFYUHJGNOP-NXEZZACHSA-N 0 1 286.238 3.743 20 0 CHADMN Fc1ccc(CNCc2ccsc2)c(Cl)c1 ZINC000058003925 329678456 /nfs/dbraw/zinc/67/84/56/329678456.db2.gz NJOHVSKFRKIAFW-UHFFFAOYSA-N 0 1 255.745 3.830 20 0 CHADMN Cc1ccccc1-n1nccc1CN[C@@H]1CCCC[C@H]1F ZINC000419810416 329745482 /nfs/dbraw/zinc/74/54/82/329745482.db2.gz FBOKXHBZTNEMTP-HZPDHXFCSA-N 0 1 287.382 3.551 20 0 CHADMN Cc1cc(CNCc2ccc([C@H]3C[C@@H]3C)o2)cc(C)n1 ZINC000421375401 329816574 /nfs/dbraw/zinc/81/65/74/329816574.db2.gz IQOHIRSOTLBGSO-ZBEGNZNMSA-N 0 1 270.376 3.705 20 0 CHADMN COc1cnccc1[C@H](C)NCc1cccc(C2CC2)c1 ZINC000421386401 329819022 /nfs/dbraw/zinc/81/90/22/329819022.db2.gz LRBBBXQGRQWDJI-ZDUSSCGKSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1nc(CN2CCC(c3ccccc3)CC2)cs1 ZINC000078803726 329975876 /nfs/dbraw/zinc/97/58/76/329975876.db2.gz YOKQXQIYQYPABQ-UHFFFAOYSA-N 0 1 272.417 3.831 20 0 CHADMN C[C@H]1C[C@H](CC[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C[C@@H](C)C1 ZINC000262223510 330001817 /nfs/dbraw/zinc/00/18/17/330001817.db2.gz VRRFOQCQJXMTGY-VNIVASGNSA-N 0 1 293.451 3.636 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000262957438 330037759 /nfs/dbraw/zinc/03/77/59/330037759.db2.gz BODDGXHFTLAMCS-INIZCTEOSA-N 0 1 275.392 3.785 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@@H](C(=O)[O-])[C@H]1C ZINC000263088262 330043110 /nfs/dbraw/zinc/04/31/10/330043110.db2.gz SXQUZAAHFMFUQS-TZMCWYRMSA-N 0 1 295.810 3.642 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000263311641 330051959 /nfs/dbraw/zinc/05/19/59/330051959.db2.gz IARJRKAORRIURH-HIFRSBDPSA-N 0 1 299.370 3.632 20 0 CHADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000263311642 330052003 /nfs/dbraw/zinc/05/20/03/330052003.db2.gz IARJRKAORRIURH-UKRRQHHQSA-N 0 1 299.370 3.632 20 0 CHADMN CC(C)c1ccc(CC[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC000263349367 330052613 /nfs/dbraw/zinc/05/26/13/330052613.db2.gz PJSSBTNNWUKOND-RHSMWYFYSA-N 0 1 289.419 3.538 20 0 CHADMN Cc1ccccc1-c1ccccc1C[N@@H+](C)CCC(=O)[O-] ZINC000263393379 330053915 /nfs/dbraw/zinc/05/39/15/330053915.db2.gz FWGFHFULKOWZLA-UHFFFAOYSA-N 0 1 283.371 3.569 20 0 CHADMN Cc1ccc(-c2cccc(C[N@H+]3CC[C@H](C(=O)[O-])C3)c2)cc1 ZINC000263410460 330054611 /nfs/dbraw/zinc/05/46/11/330054611.db2.gz LHBNKWDQLTXZCE-SFHVURJKSA-N 0 1 295.382 3.569 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000263459384 330057041 /nfs/dbraw/zinc/05/70/41/330057041.db2.gz IIOKKXQBRBPBOA-CQSZACIVSA-N 0 1 287.384 3.783 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263484000 330057516 /nfs/dbraw/zinc/05/75/16/330057516.db2.gz OUWAHFKGUWQCEP-IVMMDQJWSA-N 0 1 273.376 3.538 20 0 CHADMN CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263490908 330057633 /nfs/dbraw/zinc/05/76/33/330057633.db2.gz RDLMQOGZYVXUMF-CZUORRHYSA-N 0 1 275.392 3.785 20 0 CHADMN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000263491547 330057713 /nfs/dbraw/zinc/05/77/13/330057713.db2.gz RKAGDRDOPORFRF-GOSISDBHSA-N 0 1 297.398 3.838 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263499342 330057980 /nfs/dbraw/zinc/05/79/80/330057980.db2.gz UYHWVBIMVDVEJT-KDOFPFPSSA-N 0 1 295.382 3.763 20 0 CHADMN C[C@H](C[N@@H+](C)CC1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000263529917 330059199 /nfs/dbraw/zinc/05/91/99/330059199.db2.gz VYJIHXZXQPKDJP-HPUBIQBYSA-N 0 1 289.419 3.613 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@@H](c3ccc(Cl)cc3)C2)o1 ZINC000264740506 330061796 /nfs/dbraw/zinc/06/17/96/330061796.db2.gz RVYPXAXOTOCJAO-ZWNOBZJWSA-N 0 1 291.782 3.582 20 0 CHADMN Cc1ccccc1[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2)C1 ZINC000572413745 330064983 /nfs/dbraw/zinc/06/49/83/330064983.db2.gz RAHLIKSGAYDNHD-WMZOPIPTSA-N 0 1 295.382 3.610 20 0 CHADMN COc1cc(Cl)ccc1[C@@H](C)NCc1cccnc1 ZINC000421799195 330080270 /nfs/dbraw/zinc/08/02/70/330080270.db2.gz DKVKFIKELBACCV-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN COc1cc(Cl)ccc1[C@@H](C)NCc1cccc(O)c1 ZINC000421823185 330083198 /nfs/dbraw/zinc/08/31/98/330083198.db2.gz CJINREOJHDBAMA-LLVKDONJSA-N 0 1 291.778 3.905 20 0 CHADMN Cc1cccc(OCCN[C@@H](C)c2ccncc2Cl)c1 ZINC000421827142 330083778 /nfs/dbraw/zinc/08/37/78/330083778.db2.gz WMSKPCGIUOYTNG-ZDUSSCGKSA-N 0 1 290.794 3.773 20 0 CHADMN COc1cc(Cl)ccc1[C@@H](C)NCc1ccnc(C)c1 ZINC000421854865 330088847 /nfs/dbraw/zinc/08/88/47/330088847.db2.gz LIIJTYJUPMXROT-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN COc1cc(Cl)ccc1[C@H](C)NCc1ccn(C)c1 ZINC000421838810 330092536 /nfs/dbraw/zinc/09/25/36/330092536.db2.gz VQXVQNRGQOVLPP-NSHDSACASA-N 0 1 278.783 3.538 20 0 CHADMN C[C@@H](NC[C@H](C)C(F)(F)F)c1ccncc1Cl ZINC000421842188 330093997 /nfs/dbraw/zinc/09/39/97/330093997.db2.gz MZWWQIKYGSKQRP-JGVFFNPUSA-N 0 1 266.694 3.584 20 0 CHADMN CC[C@@H](NCc1cc(C)nc(C)c1)c1ccccc1OC ZINC000421892797 330104669 /nfs/dbraw/zinc/10/46/69/330104669.db2.gz WRDGQSRLIMNSBY-QGZVFWFLSA-N 0 1 284.403 3.948 20 0 CHADMN COc1ccc(C[C@H](C)Nc2cc3c(cn2)CCC3)cc1 ZINC000580423763 330129817 /nfs/dbraw/zinc/12/98/17/330129817.db2.gz RTHOBOGXFOQIAC-ZDUSSCGKSA-N 0 1 282.387 3.622 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000422632127 330150492 /nfs/dbraw/zinc/15/04/92/330150492.db2.gz GNWWYMZZIZQHRM-KKUMJFAQSA-N 0 1 269.429 3.778 20 0 CHADMN CC(C)c1nnc(CN(C)C2CCC(C(C)C)CC2)n1C ZINC000433135690 330150941 /nfs/dbraw/zinc/15/09/41/330150941.db2.gz NXVZDHPYFSMTOU-UHFFFAOYSA-N 0 1 292.471 3.585 20 0 CHADMN CC[C@@H](NCc1ccc2c(c1)CCCN2)c1ccc(F)cn1 ZINC000423451471 330202937 /nfs/dbraw/zinc/20/29/37/330202937.db2.gz VEHZHVRFLKQNDP-MRXNPFEDSA-N 0 1 299.393 3.820 20 0 CHADMN Cc1cc(N)cc(CN[C@@H](C)c2cc(F)ccc2F)c1 ZINC000423474834 330205739 /nfs/dbraw/zinc/20/57/39/330205739.db2.gz HSCLNIFFMADDEU-NSHDSACASA-N 0 1 276.330 3.706 20 0 CHADMN C[C@@H]1CCC[C@@H](CN[C@H](c2nccn2C)c2ccccc2)C1 ZINC000527116050 330223037 /nfs/dbraw/zinc/22/30/37/330223037.db2.gz JXUXBTRSDPNVIO-NUJGCVRESA-N 0 1 297.446 3.925 20 0 CHADMN Cc1[nH]c2ccc(-c3nc(=O)c4sccc4[nH]3)cc2c1C ZINC000054753953 330227291 /nfs/dbraw/zinc/22/72/91/330227291.db2.gz VOGVDLYTHSHMGC-UHFFFAOYSA-N 0 1 295.367 3.750 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1cncc(C)c1 ZINC000536841211 330236141 /nfs/dbraw/zinc/23/61/41/330236141.db2.gz RYSSNVCUEYZRGB-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1cc(C)c(CNCc2cccc3c2OC(C)(C)C3)cn1 ZINC000397085107 330237686 /nfs/dbraw/zinc/23/76/86/330237686.db2.gz HSBFSRQVVCGBJZ-UHFFFAOYSA-N 0 1 296.414 3.702 20 0 CHADMN CCOc1ccc(C(C)=O)cc1C[N@@H+](C)[C@@H](C)C1CCC1 ZINC000325764069 330239059 /nfs/dbraw/zinc/23/90/59/330239059.db2.gz HGPWLZIBPFETLF-ZDUSSCGKSA-N 0 1 289.419 3.908 20 0 CHADMN C[C@H]1CCCC[C@@H]1CC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000527495726 330249625 /nfs/dbraw/zinc/24/96/25/330249625.db2.gz PSMHIGUYZAVENI-QWHCGFSZSA-N 0 1 298.390 3.627 20 0 CHADMN C[C@H](NCc1cnc2ccccc2c1)c1ccoc1 ZINC000536855963 330252001 /nfs/dbraw/zinc/25/20/01/330252001.db2.gz CURHMMIUKUOMKV-LBPRGKRZSA-N 0 1 252.317 3.679 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc(CO)ccc1F ZINC000528398987 330255309 /nfs/dbraw/zinc/25/53/09/330255309.db2.gz HKSBJUGTAPRGCX-KBXCAEBGSA-N 0 1 299.389 3.696 20 0 CHADMN C[C@@H]1SCCN(CC2(F)CC2)[C@H]1c1ccccc1 ZINC000527510717 330255333 /nfs/dbraw/zinc/25/53/33/330255333.db2.gz OJEOXJSEWJJNCO-GXTWGEPZSA-N 0 1 265.397 3.667 20 0 CHADMN C[C@@H]1C[C@@H](C)N1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000527529720 330258469 /nfs/dbraw/zinc/25/84/69/330258469.db2.gz WKKXIBBNPAGMRZ-VXGBXAGGSA-N 0 1 275.783 3.508 20 0 CHADMN Cc1cc(CN2CC[C@H](C)C[C@@H]2c2ccco2)ccn1 ZINC000527532845 330262425 /nfs/dbraw/zinc/26/24/25/330262425.db2.gz DVILWTJDXPMVIF-XJKSGUPXSA-N 0 1 270.376 3.956 20 0 CHADMN COc1ccc(C)cc1CN1CCC(F)(F)C[C@H]1C ZINC000528766156 330262619 /nfs/dbraw/zinc/26/26/19/330262619.db2.gz JKWOGQNSRYVHNO-GFCCVEGCSA-N 0 1 269.335 3.623 20 0 CHADMN CC[C@@H]1c2ccsc2CCN1Cc1ccnc(C)c1 ZINC000527534829 330263395 /nfs/dbraw/zinc/26/33/95/330263395.db2.gz QYAVYDMNMOCHEF-OAHLLOKOSA-N 0 1 272.417 3.961 20 0 CHADMN Cc1cc(C)c(CNCc2ccncc2Cl)c(C)c1 ZINC000527648031 330269341 /nfs/dbraw/zinc/26/93/41/330269341.db2.gz SYOYYIYWYDCQJH-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN CCCOc1cc(C)ccc1CNCc1ccnc(C)c1 ZINC000527674439 330270048 /nfs/dbraw/zinc/27/00/48/330270048.db2.gz MXCJJIRHOLCWIF-UHFFFAOYSA-N 0 1 284.403 3.777 20 0 CHADMN Cc1cc(CNCc2ccccc2OC2CCC2)ccn1 ZINC000527662362 330273876 /nfs/dbraw/zinc/27/38/76/330273876.db2.gz PJCZSGLBJCQQMG-UHFFFAOYSA-N 0 1 282.387 3.611 20 0 CHADMN Fc1cc(Br)cnc1CNCC1=CCCCC1 ZINC000527714190 330276329 /nfs/dbraw/zinc/27/63/29/330276329.db2.gz RBPLCVDFWLMALG-UHFFFAOYSA-N 0 1 299.187 3.573 20 0 CHADMN COc1cccc(CNCc2ccccc2CC(C)C)n1 ZINC000527732306 330278434 /nfs/dbraw/zinc/27/84/34/330278434.db2.gz BYMUQZCNIHFJBG-UHFFFAOYSA-N 0 1 284.403 3.579 20 0 CHADMN Fc1ccc(CN[C@H](c2ccccn2)C2CCC2)cc1F ZINC000527771507 330282161 /nfs/dbraw/zinc/28/21/61/330282161.db2.gz JLRQBYUXENYIMK-KRWDZBQOSA-N 0 1 288.341 3.991 20 0 CHADMN Cc1nc(C)c(CN[C@@H](c2ccccn2)C2CCC2)s1 ZINC000527775339 330282307 /nfs/dbraw/zinc/28/23/07/330282307.db2.gz ZQYWDFFAAXONBK-MRXNPFEDSA-N 0 1 287.432 3.786 20 0 CHADMN c1c2cccnc2oc1CN[C@H](c1ccccn1)C1CCC1 ZINC000527774599 330282412 /nfs/dbraw/zinc/28/24/12/330282412.db2.gz XJZLSHKRTOAMIQ-KRWDZBQOSA-N 0 1 293.370 3.854 20 0 CHADMN COc1ccc(C(C)(C)NCc2occc2C)cc1F ZINC000527782053 330283049 /nfs/dbraw/zinc/28/30/49/330283049.db2.gz QZVCXCUNYADJGF-UHFFFAOYSA-N 0 1 277.339 3.761 20 0 CHADMN CC[C@H](N[C@H](C(N)=O)c1ccccc1)c1cc(C)ccc1C ZINC000527843288 330287421 /nfs/dbraw/zinc/28/74/21/330287421.db2.gz BVVSLDBQSPEJTJ-ROUUACIJSA-N 0 1 296.414 3.571 20 0 CHADMN CCOc1cccc([C@H](C)NCc2cncn2C(C)C)c1 ZINC000424143896 330288076 /nfs/dbraw/zinc/28/80/76/330288076.db2.gz GUAAKSGQGZUOKR-AWEZNQCLSA-N 0 1 287.407 3.714 20 0 CHADMN Cc1cccc([C@H](NCc2nnc3ccccn32)C(C)C)c1 ZINC000527884608 330291792 /nfs/dbraw/zinc/29/17/92/330291792.db2.gz GTCYQYBWSZNDOH-GOSISDBHSA-N 0 1 294.402 3.525 20 0 CHADMN CC(C)=CCN[C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527891602 330292409 /nfs/dbraw/zinc/29/24/09/330292409.db2.gz GTMYLRPZVIAOJR-AWEZNQCLSA-N 0 1 269.392 3.704 20 0 CHADMN CC[C@H](NCc1cnccc1OC)c1cc(C)ccc1C ZINC000527901567 330293455 /nfs/dbraw/zinc/29/34/55/330293455.db2.gz LEQIVLRGGVXEHI-KRWDZBQOSA-N 0 1 284.403 3.948 20 0 CHADMN Cc1ccncc1CN[C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527902038 330293478 /nfs/dbraw/zinc/29/34/78/330293478.db2.gz DXGIURAIFLWYEZ-INIZCTEOSA-N 0 1 290.769 3.960 20 0 CHADMN Cc1ncncc1[C@@H](C)NCc1ccccc1CC(C)C ZINC000527916622 330295178 /nfs/dbraw/zinc/29/51/78/330295178.db2.gz JCUTVAKMRWSPDQ-CQSZACIVSA-N 0 1 283.419 3.834 20 0 CHADMN CC(C)Cc1ccccc1CN[C@@H](C)c1ccncn1 ZINC000527918800 330295369 /nfs/dbraw/zinc/29/53/69/330295369.db2.gz HOXYCZLLNVAARH-AWEZNQCLSA-N 0 1 269.392 3.526 20 0 CHADMN Cc1cccc([C@H](C)NC[C@H](n2cccn2)C(F)(F)F)c1 ZINC000527936273 330298086 /nfs/dbraw/zinc/29/80/86/330298086.db2.gz SEORPCPNMWLOAJ-JSGCOSHPSA-N 0 1 297.324 3.646 20 0 CHADMN Cc1c([C@@H](C)NCc2cccnc2C)cnn1C(C)(C)C ZINC000527986209 330298757 /nfs/dbraw/zinc/29/87/57/330298757.db2.gz KBMNEQXQTFIQMN-CYBMUJFWSA-N 0 1 286.423 3.501 20 0 CHADMN CC(C)O[C@@]1(C)C[C@H]1N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000528002439 330300123 /nfs/dbraw/zinc/30/01/23/330300123.db2.gz XXBHGQMSMGNUEE-PEYYIBSZSA-N 0 1 294.464 3.629 20 0 CHADMN CC[C@H](NCc1ccc2cn(C)nc2c1)c1ccccc1F ZINC000527960826 330300641 /nfs/dbraw/zinc/30/06/41/330300641.db2.gz FJMWSCSRMFPZBJ-KRWDZBQOSA-N 0 1 297.377 3.953 20 0 CHADMN C[C@H](N[C@@H](c1ccccn1)C1CCC1)c1cccc(O)c1 ZINC000527967752 330301215 /nfs/dbraw/zinc/30/12/15/330301215.db2.gz MXVOTCKLZFNDNO-SCLBCKFNSA-N 0 1 282.387 3.979 20 0 CHADMN C[C@@H](N[C@H](c1ccccn1)C1CCC1)c1cccnc1 ZINC000527967195 330301320 /nfs/dbraw/zinc/30/13/20/330301320.db2.gz MRZUQSIYZOCTTN-DYVFJYSZSA-N 0 1 267.376 3.669 20 0 CHADMN CC(C)n1cncc1CN[C@H]1CCc2cc(Cl)ccc21 ZINC000424155204 330301946 /nfs/dbraw/zinc/30/19/46/330301946.db2.gz MLISVHZSJOPJGX-INIZCTEOSA-N 0 1 289.810 3.895 20 0 CHADMN Fc1ccc([C@H](NCC[C@H]2CC=CCC2)c2ncc[nH]2)cc1 ZINC000527976392 330302113 /nfs/dbraw/zinc/30/21/13/330302113.db2.gz FEYKXZJKHTXJHM-YOEHRIQHSA-N 0 1 299.393 3.974 20 0 CHADMN CC(C)CO[C@H]1C[C@@H](N[C@@H](C)c2ncccc2F)C1(C)C ZINC000528036260 330302732 /nfs/dbraw/zinc/30/27/32/330302732.db2.gz QNNWSZRXVMBXOS-CFVMTHIKSA-N 0 1 294.414 3.711 20 0 CHADMN Cc1cc([C@@H](C)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(C)o1 ZINC000528007697 330303571 /nfs/dbraw/zinc/30/35/71/330303571.db2.gz BVDLGUXJSRKSMN-CJNGLKHVSA-N 0 1 276.424 3.564 20 0 CHADMN CC[C@H](N[C@H](C)c1ccncn1)c1cc(C)ccc1C ZINC000528022283 330304756 /nfs/dbraw/zinc/30/47/56/330304756.db2.gz WFELKAVUIJCJIC-ZBFHGGJFSA-N 0 1 269.392 3.895 20 0 CHADMN CCc1cccc2c1OCC[C@H]2NCc1cncn1C(C)C ZINC000424159373 330306213 /nfs/dbraw/zinc/30/62/13/330306213.db2.gz SKGKRYZIQFBWSE-QGZVFWFLSA-N 0 1 299.418 3.640 20 0 CHADMN COC[C@H](N[C@@H](C)c1ccccc1)c1ccc(F)cc1 ZINC000536875734 330309718 /nfs/dbraw/zinc/30/97/18/330309718.db2.gz JQNYBKWBDCBCBD-GUYCJALGSA-N 0 1 273.351 3.864 20 0 CHADMN CCN(C/C=C(/C)Cl)Cc1ccc(OC)c(OC)c1 ZINC000528342894 330319717 /nfs/dbraw/zinc/31/97/17/330319717.db2.gz UNJWJFRUUXQXBL-WQLSENKSSA-N 0 1 283.799 3.668 20 0 CHADMN C/C(Cl)=C\CN1CCC[C@H](c2nc(C)cs2)C1 ZINC000528361469 330322401 /nfs/dbraw/zinc/32/24/01/330322401.db2.gz AGUZJTPISSEBRL-DJTWPOEFSA-N 0 1 270.829 3.774 20 0 CHADMN Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C)c1C ZINC000532957676 330323027 /nfs/dbraw/zinc/32/30/27/330323027.db2.gz QQSZDHUHCCJLDT-CQSZACIVSA-N 0 1 276.424 3.608 20 0 CHADMN COc1ccc(Cl)cc1C(C)(C)NCc1cccn1C ZINC000424196931 330325170 /nfs/dbraw/zinc/32/51/70/330325170.db2.gz GNDFIXLVJVFSMX-UHFFFAOYSA-N 0 1 292.810 3.712 20 0 CHADMN COc1ccc(Cl)cc1C(C)(C)NCc1ccncc1 ZINC000424204478 330327597 /nfs/dbraw/zinc/32/75/97/330327597.db2.gz SVQTUVDDKLITAK-UHFFFAOYSA-N 0 1 290.794 3.769 20 0 CHADMN COCc1ccc(CN[C@H]2C[C@]2(F)c2ccccc2)cc1 ZINC000424209144 330328165 /nfs/dbraw/zinc/32/81/65/330328165.db2.gz ZEFOKNPFWFKKDY-ROUUACIJSA-N 0 1 285.362 3.560 20 0 CHADMN Cc1ccc(OCCCN2CCn3cccc3[C@H]2C)cc1C ZINC000106042826 330331456 /nfs/dbraw/zinc/33/14/56/330331456.db2.gz CWBKZLJLDFVWPM-QGZVFWFLSA-N 0 1 298.430 3.951 20 0 CHADMN Clc1ccc2nc(CN[C@@H]3CCc4ccccc43)cn2c1 ZINC000105988869 330331629 /nfs/dbraw/zinc/33/16/29/330331629.db2.gz HOYSDQLROFSYLJ-MRXNPFEDSA-N 0 1 297.789 3.765 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@H+]2CCCC[C@@H]2CCC(=O)[O-])C1 ZINC000424254780 330332296 /nfs/dbraw/zinc/33/22/96/330332296.db2.gz HBMQHSHDAMSVFW-BZUAXINKSA-N 0 1 281.440 3.922 20 0 CHADMN C[C@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)[C@H]1C(=O)[O-] ZINC000424269267 330333154 /nfs/dbraw/zinc/33/31/54/330333154.db2.gz MFJTTYCGXWTDJG-KBXCAEBGSA-N 0 1 297.398 3.567 20 0 CHADMN CC(C)CCOCCNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000045093835 330338350 /nfs/dbraw/zinc/33/83/50/330338350.db2.gz ITIKPIUFPWRLKH-UKRRQHHQSA-N 0 1 265.397 3.555 20 0 CHADMN CC(C)CCOCCNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000045093833 330338402 /nfs/dbraw/zinc/33/84/02/330338402.db2.gz ITIKPIUFPWRLKH-HIFRSBDPSA-N 0 1 265.397 3.555 20 0 CHADMN Cc1cc([C@@H](N[C@@H]2CC23CC3)c2cccnc2)ccc1F ZINC000424321926 330340255 /nfs/dbraw/zinc/34/02/55/330340255.db2.gz KMOXJVUSYWOSHM-IAGOWNOFSA-N 0 1 282.362 3.761 20 0 CHADMN Cc1cc([C@@H](N[C@H]2CC23CC3)c2cccnc2)ccc1F ZINC000424321924 330340341 /nfs/dbraw/zinc/34/03/41/330340341.db2.gz KMOXJVUSYWOSHM-DLBZAZTESA-N 0 1 282.362 3.761 20 0 CHADMN CO[C@H]1C[C@H]2C[C@@H](Nc3cc4c(cn3)CCCC4)C[C@H]2C1 ZINC000424343760 330344507 /nfs/dbraw/zinc/34/45/07/330344507.db2.gz FWRRFLLABKIUKJ-WNKDZCFJSA-N 0 1 286.419 3.576 20 0 CHADMN FC(F)[C@@H](CCc1ccccc1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000424342940 330346154 /nfs/dbraw/zinc/34/61/54/330346154.db2.gz GLZLHHTWRISYLD-LXTVHRRPSA-N 0 1 265.347 3.641 20 0 CHADMN CCOCCN(CC)Cc1cnc(-c2ccccc2)s1 ZINC000107679764 330350380 /nfs/dbraw/zinc/35/03/80/330350380.db2.gz XZZAWRVRXQWLRY-UHFFFAOYSA-N 0 1 290.432 3.669 20 0 CHADMN CN(Cc1c(Cl)cccc1Cl)C[C@H]1CCCOC1 ZINC000107686843 330350401 /nfs/dbraw/zinc/35/04/01/330350401.db2.gz YRAUPLPNBIYNSJ-LLVKDONJSA-N 0 1 288.218 3.852 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc(C3CCC3)cc2)[C@H]1C(=O)[O-] ZINC000424414640 330350546 /nfs/dbraw/zinc/35/05/46/330350546.db2.gz RDMCXMQVBLQGEU-SUMWQHHRSA-N 0 1 287.403 3.639 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000424414361 330350609 /nfs/dbraw/zinc/35/06/09/330350609.db2.gz HJQNRTQTIKZZOD-FMKPAKJESA-N 0 1 281.440 3.778 20 0 CHADMN CC[C@@H](c1ccccc1)N(CC)CC(=O)c1cccn1C ZINC000533256450 330354820 /nfs/dbraw/zinc/35/48/20/330354820.db2.gz YLEVCBNVQUXSNV-INIZCTEOSA-N 0 1 284.403 3.681 20 0 CHADMN CCc1cnc(CNC(C)(C)CCc2ccccc2)o1 ZINC000533274477 330355583 /nfs/dbraw/zinc/35/55/83/330355583.db2.gz RGJWORMXLQMADJ-UHFFFAOYSA-N 0 1 272.392 3.738 20 0 CHADMN CCC1(C)CCN(Cc2cn3cc(C)ccc3n2)CC1 ZINC000533264843 330355761 /nfs/dbraw/zinc/35/57/61/330355761.db2.gz RQSUMDBLIPCBJS-UHFFFAOYSA-N 0 1 271.408 3.655 20 0 CHADMN C[C@H]1CCC[C@H](C)N(CC(=O)Nc2ccccc2Cl)C1 ZINC000533292579 330356291 /nfs/dbraw/zinc/35/62/91/330356291.db2.gz AGTLHRXGDAFUKO-STQMWFEESA-N 0 1 294.826 3.789 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccc(Cl)c(F)c2)ccn1 ZINC000212737057 330367085 /nfs/dbraw/zinc/36/70/85/330367085.db2.gz XPCIWZXACFMDRH-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)c1c(O)cccc1F ZINC000119105022 330370297 /nfs/dbraw/zinc/37/02/97/330370297.db2.gz XFBSPPMALWHMMN-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN Cc1cc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c(C)s1 ZINC000086755459 330370795 /nfs/dbraw/zinc/37/07/95/330370795.db2.gz KBOKXBMXFUOQRS-CQSZACIVSA-N 0 1 281.421 3.584 20 0 CHADMN Cc1csc(CN2CCC[C@H]2Cc2cccc(F)c2)n1 ZINC000088578384 330377457 /nfs/dbraw/zinc/37/74/57/330377457.db2.gz KXFGWXFPEKYBKE-HNNXBMFYSA-N 0 1 290.407 3.798 20 0 CHADMN CCCCn1cc(CN[C@@H](C)c2ccc(F)cc2)c(C)n1 ZINC000537014294 330379648 /nfs/dbraw/zinc/37/96/48/330379648.db2.gz JEPXKJBUDSFTGD-ZDUSSCGKSA-N 0 1 289.398 3.982 20 0 CHADMN COc1cc(C)ccc1CN[C@@H]1CCc2cc(F)ccc21 ZINC000119806623 330380057 /nfs/dbraw/zinc/38/00/57/330380057.db2.gz IJDVQPLZQUQAFC-QGZVFWFLSA-N 0 1 285.362 3.920 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccc(-n3ccnn3)cc2)o1 ZINC000090879269 330396636 /nfs/dbraw/zinc/39/66/36/330396636.db2.gz BXKQXEYHVRBMGP-KGLIPLIRSA-N 0 1 296.374 3.581 20 0 CHADMN Oc1cccc(CNCc2ccc(C(F)(F)F)cc2)c1 ZINC000059514529 330401294 /nfs/dbraw/zinc/40/12/94/330401294.db2.gz NFXFSLYBLFIINH-UHFFFAOYSA-N 0 1 281.277 3.701 20 0 CHADMN Cc1ccc(OC2CCN(Cc3ccco3)CC2)cc1 ZINC000091673305 330401982 /nfs/dbraw/zinc/40/19/82/330401982.db2.gz XFISRBQTUFIVJM-UHFFFAOYSA-N 0 1 271.360 3.631 20 0 CHADMN COCC1(N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000537447957 330437128 /nfs/dbraw/zinc/43/71/28/330437128.db2.gz XQIMPWHLNLVILF-SECBINFHSA-N 0 1 274.191 3.823 20 0 CHADMN Clc1ccccc1-c1nnc(CN2C3CCC2CC3)o1 ZINC000514983139 330468953 /nfs/dbraw/zinc/46/89/53/330468953.db2.gz IHWAINJKKZWFCA-UHFFFAOYSA-N 0 1 289.766 3.517 20 0 CHADMN Cc1ccc2cc([C@H](C)NCc3cccnc3)oc2c1 ZINC000425911143 330498653 /nfs/dbraw/zinc/49/86/53/330498653.db2.gz ASCTXXQXMSIYOT-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2CCCc3ccc(F)cc32)o1 ZINC000426322313 330504160 /nfs/dbraw/zinc/50/41/60/330504160.db2.gz IDZDDIUVHWNMBQ-OAHLLOKOSA-N 0 1 288.366 3.852 20 0 CHADMN O=C(CN(C1CCC1)C1CCC1)c1c[nH]c2ccccc12 ZINC000429135359 330538921 /nfs/dbraw/zinc/53/89/21/330538921.db2.gz SPTWVNVIBOLTID-UHFFFAOYSA-N 0 1 282.387 3.758 20 0 CHADMN Clc1cnccc1CN(C1CCC1)C1CCC1 ZINC000429145718 330539199 /nfs/dbraw/zinc/53/91/99/330539199.db2.gz WSNTVVPHVSKVMJ-UHFFFAOYSA-N 0 1 250.773 3.642 20 0 CHADMN CCc1cnc(CN(C2CCC2)C2CCC2)s1 ZINC000430127259 330561908 /nfs/dbraw/zinc/56/19/08/330561908.db2.gz OZDRXERMWTZGHT-UHFFFAOYSA-N 0 1 250.411 3.613 20 0 CHADMN C[C@H](NCc1ccc(-c2cc[nH]n2)o1)c1cccs1 ZINC000433317631 330625770 /nfs/dbraw/zinc/62/57/70/330625770.db2.gz JBETUHSWBVUYQP-JTQLQIEISA-N 0 1 273.361 3.582 20 0 CHADMN CSc1ccc(CNCc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000433329546 330626359 /nfs/dbraw/zinc/62/63/59/330626359.db2.gz GQTYWNOQJLMCBF-UHFFFAOYSA-N 0 1 299.399 3.681 20 0 CHADMN C[C@@H]1[C@@H](C)CN1C(=O)c1cc(Cl)c2ccccc2c1O ZINC000436624911 330681752 /nfs/dbraw/zinc/68/17/52/330681752.db2.gz BNYYREYPOLQXPL-VHSXEESVSA-N 0 1 289.762 3.679 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)CC2CCCCCC2)c1 ZINC000436677482 330682587 /nfs/dbraw/zinc/68/25/87/330682587.db2.gz CTWOBLJNLGBQRP-UHFFFAOYSA-N 0 1 289.375 3.894 20 0 CHADMN C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc(O)c(Cl)c1 ZINC000436683013 330682652 /nfs/dbraw/zinc/68/26/52/330682652.db2.gz SHHRXJFHSJKUCV-VXGBXAGGSA-N 0 1 295.810 3.992 20 0 CHADMN O=C(Nc1ccc2ccccc2n1)c1ccc(Cl)cc1O ZINC000436843689 330686648 /nfs/dbraw/zinc/68/66/48/330686648.db2.gz JWVLCMMAXYHSMK-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN O=C(Nc1cccc(C2CC2)n1)c1ccc(Cl)cc1O ZINC000436887811 330687731 /nfs/dbraw/zinc/68/77/31/330687731.db2.gz PTPVDPFLLNSZFM-UHFFFAOYSA-N 0 1 288.734 3.570 20 0 CHADMN CCN(C(=O)c1c(O)cccc1F)[C@H]1CCCC[C@@H]1C ZINC000436982762 330690209 /nfs/dbraw/zinc/69/02/09/330690209.db2.gz YOYIUIOZNCMMLD-AAEUAGOBSA-N 0 1 279.355 3.572 20 0 CHADMN CCCOc1c(Cl)cc(CNCCF)cc1OCC ZINC000437232106 330695692 /nfs/dbraw/zinc/69/56/92/330695692.db2.gz ALPFOTIUFXSISC-UHFFFAOYSA-N 0 1 289.778 3.587 20 0 CHADMN CC1(C)CN(C/C=C/c2ccccc2)CC(C)(C)O1 ZINC000442885864 330790516 /nfs/dbraw/zinc/79/05/16/330790516.db2.gz MNHOGMCBHDPGBC-DHZHZOJOSA-N 0 1 259.393 3.589 20 0 CHADMN CC(C)CCO[C@@H]1CCCC[C@H]1NCc1nccs1 ZINC000158405736 330829170 /nfs/dbraw/zinc/82/91/70/330829170.db2.gz SDJQFMXXAYVPCV-ZIAGYGMSSA-N 0 1 282.453 3.607 20 0 CHADMN CCO[C@H](CNCc1c(F)cccc1F)c1ccccc1 ZINC000446848189 330856494 /nfs/dbraw/zinc/85/64/94/330856494.db2.gz QNQHMUWQXGLJHN-QGZVFWFLSA-N 0 1 291.341 3.832 20 0 CHADMN CC[C@H](NCc1ccc(OC(F)F)cn1)c1ccccc1 ZINC000447026750 330859805 /nfs/dbraw/zinc/85/98/05/330859805.db2.gz JEXVCKHBPYGNKE-HNNXBMFYSA-N 0 1 292.329 3.924 20 0 CHADMN CC(C)CCC[C@@H](C)NC(=O)c1sccc1CN(C)C ZINC000447431863 330866750 /nfs/dbraw/zinc/86/67/50/330866750.db2.gz QITXUYBMVAIJDC-CYBMUJFWSA-N 0 1 296.480 3.754 20 0 CHADMN COC(=O)c1coc([C@@H](C)N[C@H](C)c2ccc(C)cc2)c1 ZINC000447532112 330868378 /nfs/dbraw/zinc/86/83/78/330868378.db2.gz SCFJIEANUPJFHS-CHWSQXEVSA-N 0 1 287.359 3.786 20 0 CHADMN C[C@H](N[C@@H](C)c1ccnn1C)c1cc2cccc(F)c2o1 ZINC000447591199 330872197 /nfs/dbraw/zinc/87/21/97/330872197.db2.gz CDNQQBHHGHSWAQ-QWRGUYRKSA-N 0 1 287.338 3.717 20 0 CHADMN c1ncn2ccc(-c3noc(CC4CCCCCC4)n3)cc12 ZINC000447961899 330881497 /nfs/dbraw/zinc/88/14/97/330881497.db2.gz IWOMXDHYCBMWCN-UHFFFAOYSA-N 0 1 296.374 3.897 20 0 CHADMN COc1cc(F)cc(CN2CCC(OC(C)(C)C)CC2)c1 ZINC000449018737 330892394 /nfs/dbraw/zinc/89/23/94/330892394.db2.gz KYMGXTQTTSNRCM-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN Fc1cc2c(c(F)c1F)[C@@H](NCc1cccs1)CC2 ZINC000449062620 330896352 /nfs/dbraw/zinc/89/63/52/330896352.db2.gz YZGCGSKLBMEOLD-NSHDSACASA-N 0 1 283.318 3.943 20 0 CHADMN COc1ccccc1C(C)(C)NCc1cc2cccnc2o1 ZINC000449119637 330900106 /nfs/dbraw/zinc/90/01/06/330900106.db2.gz AETYJZTWFPGLNB-UHFFFAOYSA-N 0 1 296.370 3.861 20 0 CHADMN C[C@H](CF)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000449327620 330914320 /nfs/dbraw/zinc/91/43/20/330914320.db2.gz BUQCEWXMALTNEL-RDDDGLTNSA-N 0 1 290.151 3.523 20 0 CHADMN CC[C@H](N[C@@H]1CC[C@@H](c2ccccc2)C1)C(F)F ZINC000449359020 330918620 /nfs/dbraw/zinc/91/86/20/330918620.db2.gz HEWJRYYKDOSGJH-MCIONIFRSA-N 0 1 253.336 3.956 20 0 CHADMN Cc1ccc(-c2ncc(CNCc3cnccc3C)s2)o1 ZINC000449523008 330933704 /nfs/dbraw/zinc/93/37/04/330933704.db2.gz KKZHUYQKKWMGML-UHFFFAOYSA-N 0 1 299.399 3.705 20 0 CHADMN CC(C)(C)c1cnc(CNC2(C3(C)CC3)CC2)s1 ZINC000449671185 330942949 /nfs/dbraw/zinc/94/29/49/330942949.db2.gz REDVFCMLQNDEGQ-UHFFFAOYSA-N 0 1 264.438 3.863 20 0 CHADMN CCOc1cccc(CN[C@@H](C)c2cccc(C)c2)n1 ZINC000449772799 330949149 /nfs/dbraw/zinc/94/91/49/330949149.db2.gz HJWSYCKBGQXLKA-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN CC[C@@H](CC(C)C)C(=O)Nc1cc(C(C)=O)ccc1O ZINC000450433204 330979079 /nfs/dbraw/zinc/97/90/79/330979079.db2.gz DKEHWXHGOQKOEI-LBPRGKRZSA-N 0 1 277.364 3.606 20 0 CHADMN Cc1cccc(NC[C@@H]2CSc3ccccc32)n1 ZINC000450570645 330987343 /nfs/dbraw/zinc/98/73/43/330987343.db2.gz YRKQODPNMSDOKE-GFCCVEGCSA-N 0 1 256.374 3.691 20 0 CHADMN C[C@H](NCCC(C)(F)F)c1nc2c(s1)CCCC2 ZINC000450768564 330999076 /nfs/dbraw/zinc/99/90/76/330999076.db2.gz WSMLNBKYMNYMBL-VIFPVBQESA-N 0 1 274.380 3.718 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1NCc1nnc(C(C)C)s1 ZINC000450769964 330999142 /nfs/dbraw/zinc/99/91/42/330999142.db2.gz YFDHNXSGPSEEBR-VXGBXAGGSA-N 0 1 299.509 3.815 20 0 CHADMN CC(=O)c1cccc(CN2CCC(c3ccncc3)CC2)c1 ZINC000450851471 331002818 /nfs/dbraw/zinc/00/28/18/331002818.db2.gz BOAKBEYGVXIASG-UHFFFAOYSA-N 0 1 294.398 3.664 20 0 CHADMN CN(CC/C=C/c1ccccc1)Cc1cn2c(n1)CCCC2 ZINC000450856492 331003093 /nfs/dbraw/zinc/00/30/93/331003093.db2.gz OPYISDUFBDAWAW-VZUCSPMQSA-N 0 1 295.430 3.755 20 0 CHADMN CC(=O)c1ccc(CN2CCc3cccc(C)c3C2)cc1 ZINC000450861506 331003445 /nfs/dbraw/zinc/00/34/45/331003445.db2.gz YQOAQSDRDXXCGI-UHFFFAOYSA-N 0 1 279.383 3.756 20 0 CHADMN CCn1ccnc1[C@H]1CCCCN1C[C@@H]1CCC(F)(F)C1 ZINC000450917731 331007050 /nfs/dbraw/zinc/00/70/50/331007050.db2.gz UHIRQYYVDZMJOB-ZIAGYGMSSA-N 0 1 297.393 3.865 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3CCC(F)(F)F)[nH]c2c1 ZINC000451015127 331011797 /nfs/dbraw/zinc/01/17/97/331011797.db2.gz KUKYCALAFHIUDV-ZDUSSCGKSA-N 0 1 297.324 3.961 20 0 CHADMN Cc1ccc2[nH]c([C@@H]3CCCN3CC[C@H](C)F)nc2c1 ZINC000451015449 331011859 /nfs/dbraw/zinc/01/18/59/331011859.db2.gz KXSYUONADHDFOS-WFASDCNBSA-N 0 1 275.371 3.756 20 0 CHADMN Cc1cc(CN2Cc3cccc(C)c3CC2(C)C)on1 ZINC000451258655 331022179 /nfs/dbraw/zinc/02/21/79/331022179.db2.gz GHKJJJGGNMUNKX-UHFFFAOYSA-N 0 1 270.376 3.628 20 0 CHADMN CCS[C@H](C)c1noc(CNC2(CC)CCCC2)n1 ZINC000451275322 331022852 /nfs/dbraw/zinc/02/28/52/331022852.db2.gz MDWBQFJSVBZCAA-LLVKDONJSA-N 0 1 283.441 3.696 20 0 CHADMN CC(C)(C)c1cc(CN[C@H]2CCC23CCCC3)no1 ZINC000451456030 331030164 /nfs/dbraw/zinc/03/01/64/331030164.db2.gz KXIMKXHYHKQPDO-ZDUSSCGKSA-N 0 1 262.397 3.785 20 0 CHADMN CCCc1nc(CN[C@@H]2C[C@H](OCC)C23CCC3)cs1 ZINC000451471166 331030701 /nfs/dbraw/zinc/03/07/01/331030701.db2.gz HMYBDQRCDSTMTI-KGLIPLIRSA-N 0 1 294.464 3.533 20 0 CHADMN CC(C)O[C@H]1C[C@@H](NCc2nc3ccccc3o2)C1(C)C ZINC000451502995 331031746 /nfs/dbraw/zinc/03/17/46/331031746.db2.gz QLBXJOPORBYULY-CABCVRRESA-N 0 1 288.391 3.510 20 0 CHADMN CCO[C@@H]1CCN(Cc2cc(F)ccc2Cl)C[C@@H]1C ZINC000451538440 331033122 /nfs/dbraw/zinc/03/31/22/331033122.db2.gz JINIJKPLASRKGL-XHDPSFHLSA-N 0 1 285.790 3.726 20 0 CHADMN CCO[C@H]1CCN(Cc2cc(OC)ccc2Cl)C[C@H]1C ZINC000451548268 331033848 /nfs/dbraw/zinc/03/38/48/331033848.db2.gz UZERAFKQUPHORJ-WBMJQRKESA-N 0 1 297.826 3.596 20 0 CHADMN CC(C)CC[C@H](O)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451843125 331044489 /nfs/dbraw/zinc/04/44/89/331044489.db2.gz FZOAJCNYVAGMPB-HOCLYGCPSA-N 0 1 277.408 3.604 20 0 CHADMN C[C@@H]1CCC(C)(C)N1Cc1cncc(Br)c1 ZINC000452014445 331050033 /nfs/dbraw/zinc/05/00/33/331050033.db2.gz UNIIGROJIVXNGF-SNVBAGLBSA-N 0 1 283.213 3.607 20 0 CHADMN C[C@@H]1CCC(C)(C)N1Cc1nc(CCc2ccccc2)no1 ZINC000452003305 331050067 /nfs/dbraw/zinc/05/00/67/331050067.db2.gz GCKDVOCDINPMNQ-CQSZACIVSA-N 0 1 299.418 3.618 20 0 CHADMN CCO[C@@H]1CCC[C@H]1NCc1csc(C2CCCC2)n1 ZINC000452026645 331050818 /nfs/dbraw/zinc/05/08/18/331050818.db2.gz VMOOJXDJYBOTKJ-HUUCEWRRSA-N 0 1 294.464 3.848 20 0 CHADMN CC(C)N(Cc1nc(C(C)(C)C)no1)C1CC(C)(C)C1 ZINC000452098244 331054083 /nfs/dbraw/zinc/05/40/83/331054083.db2.gz AOAWXBJPNYYHMO-UHFFFAOYSA-N 0 1 279.428 3.766 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nccn1CC)c1cccs1 ZINC000453079050 331087191 /nfs/dbraw/zinc/08/71/91/331087191.db2.gz OEYKCUVEPMFUNU-NWDGAFQWSA-N 0 1 263.410 3.766 20 0 CHADMN CCCOc1ccc(CN[C@H](CC)c2ccncc2)cn1 ZINC000453108328 331089861 /nfs/dbraw/zinc/08/98/61/331089861.db2.gz KORFTYSTLRAWAT-MRXNPFEDSA-N 0 1 285.391 3.506 20 0 CHADMN CCCCO[C@@H]1C[C@@H](N[C@@H](C)c2nccn2CC)C1(C)C ZINC000453129596 331092332 /nfs/dbraw/zinc/09/23/32/331092332.db2.gz KFFPTBOGPJBNEY-RRFJBIMHSA-N 0 1 293.455 3.537 20 0 CHADMN CC[C@H](N[C@H](C)c1ccncn1)c1ccc(Cl)s1 ZINC000453132644 331092493 /nfs/dbraw/zinc/09/24/93/331092493.db2.gz WNCZNNHGMBJJDK-ZJUUUORDSA-N 0 1 281.812 3.993 20 0 CHADMN C[C@H](NCCOc1cccc(C(C)(C)C)c1)c1ccncn1 ZINC000453136925 331093025 /nfs/dbraw/zinc/09/30/25/331093025.db2.gz HNZHNRCSCSBNTN-AWEZNQCLSA-N 0 1 299.418 3.504 20 0 CHADMN CC[C@@H](N[C@H](COC)c1ccc(F)cc1)c1ccncc1 ZINC000453150957 331094569 /nfs/dbraw/zinc/09/45/69/331094569.db2.gz NDPPEUADAKANCY-IAGOWNOFSA-N 0 1 288.366 3.649 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H]1CCc2c1cccc2C ZINC000453158443 331095339 /nfs/dbraw/zinc/09/53/39/331095339.db2.gz LNOXYACMZOSMIH-CZUORRHYSA-N 0 1 269.392 3.550 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H]1CCc2c1cccc2C ZINC000453158442 331095343 /nfs/dbraw/zinc/09/53/43/331095343.db2.gz LNOXYACMZOSMIH-CJNGLKHVSA-N 0 1 269.392 3.550 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](CO)c2ccsc2)cs1 ZINC000453198462 331100498 /nfs/dbraw/zinc/10/04/98/331100498.db2.gz OYHANDWQBZRZJX-MFKMUULPSA-N 0 1 267.419 3.502 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@@H](CC)c2ccncc2)n[nH]1 ZINC000453204179 331101053 /nfs/dbraw/zinc/10/10/53/331101053.db2.gz FQHSEDIQKNUZSN-OBJOEFQTSA-N 0 1 287.411 3.515 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H](C)c1csc(C)c1 ZINC000453207398 331101431 /nfs/dbraw/zinc/10/14/31/331101431.db2.gz ALQPUSZQJVVICQ-RYUDHWBXSA-N 0 1 276.405 3.872 20 0 CHADMN CC[C@H](N[C@H]1c2ccc(F)cc2O[C@@H]1C)c1ccncc1 ZINC000453215387 331102476 /nfs/dbraw/zinc/10/24/76/331102476.db2.gz FQABMTDHQYKZMO-XQAQDONZSA-N 0 1 286.350 3.784 20 0 CHADMN CC1(F)CC(N[C@H](c2ccccc2)c2ccccn2)C1 ZINC000453233830 331104869 /nfs/dbraw/zinc/10/48/69/331104869.db2.gz IHOLGAFJQHFLCO-ARWYELJZSA-N 0 1 270.351 3.651 20 0 CHADMN CCC[C@@H](CN[C@H](C)c1nc(C(F)(F)F)cs1)OC ZINC000453239705 331105703 /nfs/dbraw/zinc/10/57/03/331105703.db2.gz BHJYWVWVEIMYGG-BDAKNGLRSA-N 0 1 296.358 3.628 20 0 CHADMN CC1(F)CC(N[C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000453245169 331106707 /nfs/dbraw/zinc/10/67/07/331106707.db2.gz ZYUHALFFHJEHTN-ARWYELJZSA-N 0 1 288.341 3.790 20 0 CHADMN CC[C@H](C)[C@@H](CN[C@@H](C)c1csc(C(C)C)n1)OC ZINC000453267901 331109344 /nfs/dbraw/zinc/10/93/44/331109344.db2.gz NNFLJFPGHUDGQJ-SGMGOOAPSA-N 0 1 284.469 3.978 20 0 CHADMN COc1ccc([C@H]2C[C@@H]2[C@H](C)N[C@@H](C)C(C)(F)F)cc1 ZINC000453278450 331110283 /nfs/dbraw/zinc/11/02/83/331110283.db2.gz FDUJBKYSYWXUCA-UOVKNHIHSA-N 0 1 283.362 3.821 20 0 CHADMN CO[C@](C)(CN[C@H](C)c1csc(C)n1)c1ccccc1 ZINC000453317068 331115692 /nfs/dbraw/zinc/11/56/92/331115692.db2.gz ILBKSNQEMUAWNB-MLGOLLRUSA-N 0 1 290.432 3.664 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000453344336 331119520 /nfs/dbraw/zinc/11/95/20/331119520.db2.gz JBEQSWAFGPVILV-GRYCIOLGSA-N 0 1 261.394 3.610 20 0 CHADMN C[C@H](NCc1cnc(C2CC2)o1)c1ccc2c(c1)CCC2 ZINC000453348992 331120233 /nfs/dbraw/zinc/12/02/33/331120233.db2.gz IYNRRCBAOPUQFH-LBPRGKRZSA-N 0 1 282.387 3.892 20 0 CHADMN Cc1ccsc1[C@@H](C)NCc1cnc(C2CC2)o1 ZINC000453354330 331121114 /nfs/dbraw/zinc/12/11/14/331121114.db2.gz LLULWDKNPMONFI-SNVBAGLBSA-N 0 1 262.378 3.773 20 0 CHADMN C[C@H](N[C@H]1CCCN(C)c2ccccc21)c1ccc(F)cn1 ZINC000453353958 331121262 /nfs/dbraw/zinc/12/12/62/331121262.db2.gz IAKTZUSEYAOATN-GUYCJALGSA-N 0 1 299.393 3.843 20 0 CHADMN COc1cccnc1CN[C@@H](c1ccccc1)C(C)C ZINC000453374844 331124627 /nfs/dbraw/zinc/12/46/27/331124627.db2.gz TWQUIEFPKFRCLI-QGZVFWFLSA-N 0 1 270.376 3.577 20 0 CHADMN C[C@H](NCc1cnc(C2CC2)o1)c1cc2c(s1)CCC2 ZINC000453379527 331125483 /nfs/dbraw/zinc/12/54/83/331125483.db2.gz YSKVXXZKVHPRAX-JTQLQIEISA-N 0 1 288.416 3.953 20 0 CHADMN COc1cccnc1CN[C@@H]1CCCc2c(C)ccc(C)c21 ZINC000453380153 331125491 /nfs/dbraw/zinc/12/54/91/331125491.db2.gz XFHKJLNXHULCGA-MRXNPFEDSA-N 0 1 296.414 3.874 20 0 CHADMN COc1cc([C@@H](C)N[C@H](C)c2cccc(C)c2)c(F)cn1 ZINC000453380553 331125794 /nfs/dbraw/zinc/12/57/94/331125794.db2.gz AWEDHIFAFNGJCH-CHWSQXEVSA-N 0 1 288.366 3.950 20 0 CHADMN CCCc1ncc(CN[C@H](C)c2cccc(C)c2)o1 ZINC000453383038 331126029 /nfs/dbraw/zinc/12/60/29/331126029.db2.gz MAUQQEYTWZVQDB-CYBMUJFWSA-N 0 1 258.365 3.786 20 0 CHADMN CCCc1ncc(CN[C@H]2c3ccccc3C[C@@H]2C)o1 ZINC000453389925 331127215 /nfs/dbraw/zinc/12/72/15/331127215.db2.gz PXTGVMSZBIKEME-YVEFUNNKSA-N 0 1 270.376 3.650 20 0 CHADMN CCCc1ncc(CN[C@H]2CCc3c2cccc3C)o1 ZINC000453392654 331127503 /nfs/dbraw/zinc/12/75/03/331127503.db2.gz RJFVKQFGAMYQHF-INIZCTEOSA-N 0 1 270.376 3.713 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)c1c(O)cccc1F ZINC000163848970 331134714 /nfs/dbraw/zinc/13/47/14/331134714.db2.gz UFVZZGQIYBDMGQ-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN CCC(C)(C)OCCNCc1nc2c(s1)C[C@@H](C)CC2 ZINC000453624078 331137154 /nfs/dbraw/zinc/13/71/54/331137154.db2.gz ZUFWRENCPAAPBU-LBPRGKRZSA-N 0 1 296.480 3.563 20 0 CHADMN Cc1nc2ccc(NC(=O)C3=CC[C@H](C)CC3)cc2[nH]1 ZINC000454441516 331146188 /nfs/dbraw/zinc/14/61/88/331146188.db2.gz SZCSPLDIHPKTSV-JTQLQIEISA-N 0 1 269.348 3.556 20 0 CHADMN CC(C)OCCN[C@H](C)c1ccc(F)cc1Cl ZINC000164102380 331163090 /nfs/dbraw/zinc/16/30/90/331163090.db2.gz DWTAYDVQDBUTOZ-SNVBAGLBSA-N 0 1 259.752 3.555 20 0 CHADMN CSCCN(C)[C@@H](C)c1nc2ccccc2s1 ZINC000195348957 331171702 /nfs/dbraw/zinc/17/17/02/331171702.db2.gz LAWBFCRWSNSIKV-JTQLQIEISA-N 0 1 266.435 3.652 20 0 CHADMN C[N@@H+](CCCC(=O)[O-])Cc1ccccc1Oc1ccccc1 ZINC000455616581 331174009 /nfs/dbraw/zinc/17/40/09/331174009.db2.gz CWSYSPODJZPBCB-UHFFFAOYSA-N 0 1 299.370 3.776 20 0 CHADMN CC(C)(C)C[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000455628062 331174360 /nfs/dbraw/zinc/17/43/60/331174360.db2.gz QANKUMWUBBEFNP-OAHLLOKOSA-N 0 1 275.392 3.785 20 0 CHADMN CN(C)Cc1ccsc1C(=O)NCC1CCCCCC1 ZINC000456121723 331184857 /nfs/dbraw/zinc/18/48/57/331184857.db2.gz LRIUTIYITYHPRW-UHFFFAOYSA-N 0 1 294.464 3.510 20 0 CHADMN CC[C@@H]1CC[C@H](C)N(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000456807362 331204563 /nfs/dbraw/zinc/20/45/63/331204563.db2.gz CMPZTSZBNKUWMO-WCQYABFASA-N 0 1 285.391 3.522 20 0 CHADMN CCC1(C(=O)Nc2ccc(F)c(F)c2O)CCCC1 ZINC000457284290 331218082 /nfs/dbraw/zinc/21/80/82/331218082.db2.gz BMUJBDKXVZBDOU-UHFFFAOYSA-N 0 1 269.291 3.579 20 0 CHADMN O=C(Nc1ccc(F)c(F)c1O)[C@@H]1CC12CCCCC2 ZINC000457285704 331218117 /nfs/dbraw/zinc/21/81/17/331218117.db2.gz DJVPDGKHBHLLHU-VIFPVBQESA-N 0 1 281.302 3.579 20 0 CHADMN CC(C)(CC(=O)Nc1ccc(F)c(F)c1O)C(F)(F)F ZINC000457285583 331218146 /nfs/dbraw/zinc/21/81/46/331218146.db2.gz CVDSQFQWIFHAST-UHFFFAOYSA-N 0 1 297.223 3.588 20 0 CHADMN O=C(Nc1ccc(F)c(F)c1O)C1CCCCCC1 ZINC000457300331 331218415 /nfs/dbraw/zinc/21/84/15/331218415.db2.gz VIUIFEDWLNYHJB-UHFFFAOYSA-N 0 1 269.291 3.579 20 0 CHADMN CC(C)(C)CCCCC(=O)NCc1ccc2cncn2c1 ZINC000457971982 331238338 /nfs/dbraw/zinc/23/83/38/331238338.db2.gz NLEMTWMLKNNRII-UHFFFAOYSA-N 0 1 287.407 3.557 20 0 CHADMN C[C@H](NCc1cnc(C2CC2)nc1)c1ccc(Cl)cc1 ZINC000459362168 331278149 /nfs/dbraw/zinc/27/81/49/331278149.db2.gz GZNAJEHYBGQJMN-NSHDSACASA-N 0 1 287.794 3.858 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@@H]3COCC[C@@H]32)c(Cl)c1 ZINC000459361029 331278217 /nfs/dbraw/zinc/27/82/17/331278217.db2.gz RRTMDUHDUOTTAJ-WBMJQRKESA-N 0 1 297.801 3.788 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cnc(C3CC3)nc2)cc1 ZINC000459370496 331278667 /nfs/dbraw/zinc/27/86/67/331278667.db2.gz OWWNXUGOAHUGDI-CYBMUJFWSA-N 0 1 281.403 3.767 20 0 CHADMN FC1(F)CCC(CN2CCOC[C@H]2c2ccccc2)CC1 ZINC000459371105 331278759 /nfs/dbraw/zinc/27/87/59/331278759.db2.gz YFGIGTNNUMNNOZ-INIZCTEOSA-N 0 1 295.373 3.885 20 0 CHADMN Cc1cc(C)cc([C@H](C)NCc2cc(=O)[nH]c(C3CC3)n2)c1 ZINC000459392593 331279755 /nfs/dbraw/zinc/27/97/55/331279755.db2.gz LRDKODACQIXDCL-ZDUSSCGKSA-N 0 1 297.402 3.527 20 0 CHADMN CCCCC1CCC(NCc2cc(COC)on2)CC1 ZINC000459400846 331280061 /nfs/dbraw/zinc/28/00/61/331280061.db2.gz XADNUKDTXHRTPZ-UHFFFAOYSA-N 0 1 280.412 3.660 20 0 CHADMN Cc1cc(CNCCCc2ccc(C(C)C)cc2)no1 ZINC000459420190 331280671 /nfs/dbraw/zinc/28/06/71/331280671.db2.gz VNANDSVZLOLRHH-UHFFFAOYSA-N 0 1 272.392 3.829 20 0 CHADMN CC(C)c1nnc(CNCCc2cccc(Cl)c2)s1 ZINC000459432491 331281134 /nfs/dbraw/zinc/28/11/34/331281134.db2.gz FYKNQCUCFVOPLU-UHFFFAOYSA-N 0 1 295.839 3.647 20 0 CHADMN c1ccc(-c2nnc(CNC3CC4(CCC4)C3)s2)cc1 ZINC000459440091 331281378 /nfs/dbraw/zinc/28/13/78/331281378.db2.gz JLKCIJDROPEEEX-UHFFFAOYSA-N 0 1 285.416 3.627 20 0 CHADMN CC[C@@H](C)c1nnc([C@@H](C)NC2CC(C(C)(C)C)C2)[nH]1 ZINC000459530721 331286128 /nfs/dbraw/zinc/28/61/28/331286128.db2.gz SPCKBNYCPVOPJS-OKZRHMCRSA-N 0 1 278.444 3.794 20 0 CHADMN Cc1cc(CNCC(C)(C)c2ccc(C)cc2C)no1 ZINC000459554640 331287507 /nfs/dbraw/zinc/28/75/07/331287507.db2.gz FSJGYVPNGTUECM-UHFFFAOYSA-N 0 1 272.392 3.667 20 0 CHADMN Cc1cccc([C@H](C)NCc2cnc(C3CC3)nc2)c1 ZINC000459563456 331288165 /nfs/dbraw/zinc/28/81/65/331288165.db2.gz QJPMZXLAFCITFM-ZDUSSCGKSA-N 0 1 267.376 3.513 20 0 CHADMN Cc1ccc(CCCN2CC(C)(CC(F)(F)F)C2)cn1 ZINC000459630233 331291210 /nfs/dbraw/zinc/29/12/10/331291210.db2.gz APNZUXDZJVZLGH-UHFFFAOYSA-N 0 1 286.341 3.597 20 0 CHADMN CC(C)C[C@@H]1C[C@H]1NCc1csc(C2CC2)n1 ZINC000459668405 331293185 /nfs/dbraw/zinc/29/31/85/331293185.db2.gz PXVZZOGFDLXMTM-DGCLKSJQSA-N 0 1 250.411 3.545 20 0 CHADMN CC(C)c1nnc(CN(C)[C@@H]2CCC[C@H]2c2ccccc2)[nH]1 ZINC000459686903 331294440 /nfs/dbraw/zinc/29/44/40/331294440.db2.gz DVGVCAPGCBIWGS-JKSUJKDBSA-N 0 1 298.434 3.696 20 0 CHADMN CN(Cc1cccc(O)c1Cl)C1CC(C)(C)C1 ZINC000459722511 331295893 /nfs/dbraw/zinc/29/58/93/331295893.db2.gz BPCTVLYBSJEDFP-UHFFFAOYSA-N 0 1 253.773 3.666 20 0 CHADMN Cc1ccc([C@H](N[C@H](C)c2ccn(C)n2)C2CC2)cc1 ZINC000459743505 331297664 /nfs/dbraw/zinc/29/76/64/331297664.db2.gz GTNAKMNDKHAOPQ-DYVFJYSZSA-N 0 1 269.392 3.530 20 0 CHADMN CC(C)n1ccnc1CN(C)[C@@H](C)Cc1cccc(F)c1 ZINC000459758455 331298901 /nfs/dbraw/zinc/29/89/01/331298901.db2.gz IAYIWBIGZYOGPI-AWEZNQCLSA-N 0 1 289.398 3.666 20 0 CHADMN Clc1ccc(CN2C[C@@H]3C[C@H]2CS3)c2ncccc12 ZINC000459793474 331301301 /nfs/dbraw/zinc/30/13/01/331301301.db2.gz KQFBQSVPFALOAL-RYUDHWBXSA-N 0 1 290.819 3.578 20 0 CHADMN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000166844933 331307547 /nfs/dbraw/zinc/30/75/47/331307547.db2.gz GDWJYKYVBREJMX-VWYCJHECSA-N 0 1 281.783 3.552 20 0 CHADMN Fc1cc(CNCc2cccs2)c(F)cc1Cl ZINC000167550310 331308293 /nfs/dbraw/zinc/30/82/93/331308293.db2.gz FIFIESYZDIUAHP-UHFFFAOYSA-N 0 1 273.735 3.970 20 0 CHADMN CC(C)c1ccc(C[C@H]2CCN(Cc3nccn3C)C2)cc1 ZINC000460984587 331309995 /nfs/dbraw/zinc/30/99/95/331309995.db2.gz WDSGZQHQHDWOIV-QGZVFWFLSA-N 0 1 297.446 3.608 20 0 CHADMN CC(C)C1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000461412350 331313095 /nfs/dbraw/zinc/31/30/95/331313095.db2.gz AZUPFOOKSYHXRE-UHFFFAOYSA-N 0 1 297.402 3.585 20 0 CHADMN CCC(C)(CC)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000462089832 331317095 /nfs/dbraw/zinc/31/70/95/331317095.db2.gz IYSZBNOVSHZIEI-UHFFFAOYSA-N 0 1 297.402 3.556 20 0 CHADMN COc1ccc(F)cc1CNCCO[C@@H]1CCCC[C@H]1C ZINC000462788467 331329068 /nfs/dbraw/zinc/32/90/68/331329068.db2.gz BTBQJZAHRHGWQX-CZUORRHYSA-N 0 1 295.398 3.519 20 0 CHADMN CC(C)N(Cc1cccc(Cl)c1Cl)[C@H]1CCOC1 ZINC000462869049 331333339 /nfs/dbraw/zinc/33/33/39/331333339.db2.gz DNHIHPFXSLQJNP-LBPRGKRZSA-N 0 1 288.218 3.993 20 0 CHADMN COCC[C@H]1CCC[C@H]1Nc1cc2c(cn1)CCCC2 ZINC000462958624 331335982 /nfs/dbraw/zinc/33/59/82/331335982.db2.gz QQEMDJYTZKPRSD-CZUORRHYSA-N 0 1 274.408 3.578 20 0 CHADMN CCN(CC(C)(C)C)C(=O)c1[nH]nc2ccc(Cl)cc21 ZINC000462992413 331336593 /nfs/dbraw/zinc/33/65/93/331336593.db2.gz PKUBCEBKNILJDJ-UHFFFAOYSA-N 0 1 293.798 3.725 20 0 CHADMN CCc1cccc(Cl)c1CN(CC)[C@H]1CCOC1 ZINC000463029232 331337606 /nfs/dbraw/zinc/33/76/06/331337606.db2.gz OALYDYVNBKHZJQ-ZDUSSCGKSA-N 0 1 267.800 3.513 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCC3CCC3)n2)cc1 ZINC000463044099 331338306 /nfs/dbraw/zinc/33/83/06/331338306.db2.gz QHEIFQGYPJNZFS-UHFFFAOYSA-N 0 1 259.378 3.672 20 0 CHADMN CC/C=C\CCSc1nc(-c2ccccc2)n[nH]1 ZINC000464569513 331362843 /nfs/dbraw/zinc/36/28/43/331362843.db2.gz XSKPHAOMMAJZHA-ARJAWSKDSA-N 0 1 259.378 3.920 20 0 CHADMN CC[C@]1(C)CCCN([C@@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000464782702 331368052 /nfs/dbraw/zinc/36/80/52/331368052.db2.gz ZNUATSRGOIZGIG-SUMWQHHRSA-N 0 1 292.398 3.665 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC(C)(C)C1 ZINC000464802998 331369206 /nfs/dbraw/zinc/36/92/06/331369206.db2.gz VFUAKUDCEBZVGH-GFCCVEGCSA-N 0 1 294.826 3.707 20 0 CHADMN CCc1ccc(CCN2CCOC[C@@H]2c2ccccc2)cc1 ZINC000464834906 331370164 /nfs/dbraw/zinc/37/01/64/331370164.db2.gz QBBCFGDOGJVKOG-HXUWFJFHSA-N 0 1 295.426 3.865 20 0 CHADMN Cc1ccc(-c2nc(CN3C[C@@H]4CCC[C@@H]4C3)cs2)o1 ZINC000464847167 331370969 /nfs/dbraw/zinc/37/09/69/331370969.db2.gz CYIGYWIMBUAWFO-BETUJISGSA-N 0 1 288.416 3.943 20 0 CHADMN CSCCCN1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000464893163 331372857 /nfs/dbraw/zinc/37/28/57/331372857.db2.gz IWIVQVNBFJZFQW-RDJZCZTQSA-N 0 1 293.476 3.818 20 0 CHADMN Fc1ccccc1C=C1CCN(CCc2cccnc2)CC1 ZINC000464901386 331373162 /nfs/dbraw/zinc/37/31/62/331373162.db2.gz XJYJJAPXAFKALU-UHFFFAOYSA-N 0 1 296.389 3.943 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000465299033 331381899 /nfs/dbraw/zinc/38/18/99/331381899.db2.gz RQLFUPOYYZLJHW-DZGCQCFKSA-N 0 1 297.402 3.646 20 0 CHADMN CCC[C@H]1CCCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000466489514 331398343 /nfs/dbraw/zinc/39/83/43/331398343.db2.gz SIFSKRPRLYJQTE-LBPRGKRZSA-N 0 1 276.355 3.979 20 0 CHADMN CCC[C@H]1CCCN([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000466487660 331398368 /nfs/dbraw/zinc/39/83/68/331398368.db2.gz CRMLDAAXNZDGKD-STQMWFEESA-N 0 1 279.428 3.940 20 0 CHADMN CC1(C)CN(Cc2nnc(-c3ccccc3)o2)CC(C)(C)C1 ZINC000466931316 331408692 /nfs/dbraw/zinc/40/86/92/331408692.db2.gz SVGSVULTEGKFDL-UHFFFAOYSA-N 0 1 299.418 3.995 20 0 CHADMN Cc1ccccc1CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000474438698 331586959 /nfs/dbraw/zinc/58/69/59/331586959.db2.gz KVHMBAJCVIYUTK-UHFFFAOYSA-N 0 1 293.725 3.674 20 0 CHADMN CCc1cccc(F)c1CNCc1ccc(OC)c(F)c1 ZINC000474468063 331588050 /nfs/dbraw/zinc/58/80/50/331588050.db2.gz CZKRTNNHBFIZSP-UHFFFAOYSA-N 0 1 291.341 3.826 20 0 CHADMN CC(C)c1cccc(CNCc2ccnn2C(C)C)c1 ZINC000474930030 331604684 /nfs/dbraw/zinc/60/46/84/331604684.db2.gz DBGYKJAVCRDAKT-UHFFFAOYSA-N 0 1 271.408 3.877 20 0 CHADMN CO[C@]1(C)C[C@H](N[C@@H](C)c2ncc(C(C)(C)C)o2)C1(C)C ZINC000476531506 331665871 /nfs/dbraw/zinc/66/58/71/331665871.db2.gz HXMSFHJZNHLJQB-NVGCLXPQSA-N 0 1 294.439 3.826 20 0 CHADMN C[C@@H]1CC[C@@H](CN[C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000479559447 331737521 /nfs/dbraw/zinc/73/75/21/331737521.db2.gz ZZKSTRBMBRSNRK-HBUWYVDXSA-N 0 1 299.393 3.731 20 0 CHADMN CCCc1cccc(CNCc2cccnc2OCC)c1 ZINC000479577062 331738606 /nfs/dbraw/zinc/73/86/06/331738606.db2.gz IMUGEGQNUMEQPE-UHFFFAOYSA-N 0 1 284.403 3.723 20 0 CHADMN CC(C)CCc1noc(CN[C@@H]2CCCCC2(C)C)n1 ZINC000481179635 331800146 /nfs/dbraw/zinc/80/01/46/331800146.db2.gz ZGUVUSBJDXGHTB-CYBMUJFWSA-N 0 1 279.428 3.717 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@H](C)c1cccc(C)c1 ZINC000482255464 331829275 /nfs/dbraw/zinc/82/92/75/331829275.db2.gz FNXLGXQPZZFKRA-OAHLLOKOSA-N 0 1 284.403 3.866 20 0 CHADMN CCSCCN1CC(Cc2ccccc2Cl)C1 ZINC000485308438 331911489 /nfs/dbraw/zinc/91/14/89/331911489.db2.gz ZMTJAXLSJYXLTN-UHFFFAOYSA-N 0 1 269.841 3.567 20 0 CHADMN Clc1ccccc1CNC/C=C/c1ccncc1 ZINC000486936986 331950648 /nfs/dbraw/zinc/95/06/48/331950648.db2.gz KOKLTIDIYYIHAY-ONEGZZNKSA-N 0 1 258.752 3.538 20 0 CHADMN CC(C)(C)c1csc(CNC/C=C/c2ccncc2)n1 ZINC000487312708 331965573 /nfs/dbraw/zinc/96/55/73/331965573.db2.gz XHVOQALIZIXZMQ-SNAWJCMRSA-N 0 1 287.432 3.639 20 0 CHADMN CC(C)[C@H]1OCC[C@H]1CNc1ccnc2cc(F)ccc21 ZINC000487628312 331977539 /nfs/dbraw/zinc/97/75/39/331977539.db2.gz YUZHYOYMAMVLJS-YVEFUNNKSA-N 0 1 288.366 3.847 20 0 CHADMN C[C@@H](NC[C@H]1CCC(C)(C)O1)c1c(F)cccc1F ZINC000488147845 331992186 /nfs/dbraw/zinc/99/21/86/331992186.db2.gz JFHLGNKQQWVWKW-GHMZBOCLSA-N 0 1 269.335 3.573 20 0 CHADMN COc1ccccc1[C@H](NC[C@@H]1C[C@@H]1C)c1ccco1 ZINC000488522948 332015534 /nfs/dbraw/zinc/01/55/34/332015534.db2.gz WLBQJOLLSSTELB-DCGLDWPTSA-N 0 1 271.360 3.623 20 0 CHADMN COc1cccc(Cl)c1CN[C@H]1CS[C@H](C(C)C)C1 ZINC000488545647 332016563 /nfs/dbraw/zinc/01/65/63/332016563.db2.gz PPPCMEHIZSBUII-ABAIWWIYSA-N 0 1 299.867 3.968 20 0 CHADMN COc1cccc(Cl)c1CN[C@@H]1CS[C@@H](C(C)C)C1 ZINC000488545655 332016606 /nfs/dbraw/zinc/01/66/06/332016606.db2.gz PPPCMEHIZSBUII-XHDPSFHLSA-N 0 1 299.867 3.968 20 0 CHADMN C[C@H](C(=O)Nc1nc2ccc(F)cc2[nH]1)c1ccsc1 ZINC000488954752 332035202 /nfs/dbraw/zinc/03/52/02/332035202.db2.gz NXBSJXNBIVGGQS-QMMMGPOBSA-N 0 1 289.335 3.506 20 0 CHADMN CCc1nc(C)c(CNc2cc(C)nc3ccc(F)cc32)o1 ZINC000489048062 332039448 /nfs/dbraw/zinc/03/94/48/332039448.db2.gz VKKWOKVLDDRLHW-UHFFFAOYSA-N 0 1 299.349 3.575 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@H](C)CC(C)(C)C)n[nH]1 ZINC000489217885 332043699 /nfs/dbraw/zinc/04/36/99/332043699.db2.gz MUKHKCKYPJKXKV-QJPTWQEYSA-N 0 1 294.443 3.568 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C[C@H](CC)C(C)C)n[nH]1 ZINC000489293768 332045616 /nfs/dbraw/zinc/04/56/16/332045616.db2.gz ZACIKIVCOWIHSV-AVGNSLFASA-N 0 1 294.443 3.568 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3cccc(F)c3)C2)c(C)s1 ZINC000489882793 332071677 /nfs/dbraw/zinc/07/16/77/332071677.db2.gz HWTYVTLYZHTUKS-CQSZACIVSA-N 0 1 290.407 3.889 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)N(Cc3cscn3)C2)cc1 ZINC000490047410 332078691 /nfs/dbraw/zinc/07/86/91/332078691.db2.gz QXTMNHZXOBYYLD-UKRRQHHQSA-N 0 1 272.417 3.830 20 0 CHADMN CC(C)CO[C@H](C)c1noc(CN(C)C2(C)CCCC2)n1 ZINC000490251647 332085304 /nfs/dbraw/zinc/08/53/04/332085304.db2.gz RRACQSYPXOPNPJ-CYBMUJFWSA-N 0 1 295.427 3.568 20 0 CHADMN CCCC[C@H](CC)C(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000490273914 332085779 /nfs/dbraw/zinc/08/57/79/332085779.db2.gz ORRLRXPBZCAGFB-AVGNSLFASA-N 0 1 294.443 3.712 20 0 CHADMN Cc1nc(C)c([C@@H](C)N(C)Cc2ccoc2C)s1 ZINC000490464611 332090010 /nfs/dbraw/zinc/09/00/10/332090010.db2.gz PKZUQNKQOANVHJ-SNVBAGLBSA-N 0 1 264.394 3.854 20 0 CHADMN CC1(C)CC(CC(=O)Nc2cccc(Cl)c2O)C1 ZINC000490742976 332112347 /nfs/dbraw/zinc/11/23/47/332112347.db2.gz AUMVJXUTJNJYHZ-UHFFFAOYSA-N 0 1 267.756 3.810 20 0 CHADMN Brc1cc(CN2CC[C@@H](C3CC3)C2)cs1 ZINC000491114642 332150957 /nfs/dbraw/zinc/15/09/57/332150957.db2.gz AAVWUPQAQMMTAO-LLVKDONJSA-N 0 1 286.238 3.743 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1CC[C@H](C2CC2)C1 ZINC000491186410 332162231 /nfs/dbraw/zinc/16/22/31/332162231.db2.gz MDHCUBKMQWKASX-JQWIXIFHSA-N 0 1 289.404 3.591 20 0 CHADMN OC[C@@H](NCc1ccc2c(c1)CCCC2)c1cccc(F)c1 ZINC000491213902 332167588 /nfs/dbraw/zinc/16/75/88/332167588.db2.gz QIWHSDZHIYYFMX-LJQANCHMSA-N 0 1 299.389 3.528 20 0 CHADMN CC(C)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000575413172 335102041 /nfs/dbraw/zinc/10/20/41/335102041.db2.gz ZZRFMQQXDVMUBK-ZDUSSCGKSA-N 0 1 295.810 3.906 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)/C=C\C3CC3)c2C1 ZINC000492185366 332386216 /nfs/dbraw/zinc/38/62/16/332386216.db2.gz SYUMHJFZNBPQAS-HJWRWDBZSA-N 0 1 284.403 3.563 20 0 CHADMN Cc1nc2ccc(CNCc3cccc(O)c3)cc2s1 ZINC000494311840 332470056 /nfs/dbraw/zinc/47/00/56/332470056.db2.gz MROSGWIYCSUVIE-UHFFFAOYSA-N 0 1 284.384 3.600 20 0 CHADMN C[C@@H]1C[C@H](Nc2ccc(Cl)c(CN(C)C)c2)[C@H]1C ZINC000494979446 332496711 /nfs/dbraw/zinc/49/67/11/332496711.db2.gz XWIKUIICDMKKMY-ZETOZRRWSA-N 0 1 266.816 3.858 20 0 CHADMN C[C@@H]1C[C@@H](Nc2ccc(Cl)c(CN(C)C)c2)[C@@H]1C ZINC000494979445 332496818 /nfs/dbraw/zinc/49/68/18/332496818.db2.gz XWIKUIICDMKKMY-UEKVPHQBSA-N 0 1 266.816 3.858 20 0 CHADMN C[C@@H]1C[C@@]1(NCc1ccco1)c1ccc(Cl)cc1 ZINC000500393327 332606482 /nfs/dbraw/zinc/60/64/82/332606482.db2.gz AZBHXQAVMAWDQE-ABAIWWIYSA-N 0 1 261.752 3.958 20 0 CHADMN C[C@H]1C[C@H](C)CN(c2ccnc3cc(F)ccc32)C1 ZINC000500478798 332610796 /nfs/dbraw/zinc/61/07/96/332610796.db2.gz LHFCHYPDMNYARX-RYUDHWBXSA-N 0 1 258.340 3.856 20 0 CHADMN Cc1cnn(C)c1CN[C@@H](c1ccccc1Cl)C(C)C ZINC000511986879 332949503 /nfs/dbraw/zinc/94/95/03/332949503.db2.gz CNKGPVDZZQZQOX-MRXNPFEDSA-N 0 1 291.826 3.869 20 0 CHADMN C[C@H]1CCC[N@H+]1[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000575809965 335117760 /nfs/dbraw/zinc/11/77/60/335117760.db2.gz GUHOLMOQGNOSBP-UFBFGSQYSA-N 0 1 288.174 3.603 20 0 CHADMN CCc1ccc([C@@H]2CCCN(Cc3nccn3CC)C2)cc1 ZINC000513368079 333015467 /nfs/dbraw/zinc/01/54/67/333015467.db2.gz TZZCHOFAYPFOON-GOSISDBHSA-N 0 1 297.446 3.845 20 0 CHADMN COc1cccc([C@H]2CN(CC3CCCCC3)CCO2)c1 ZINC000513377325 333016289 /nfs/dbraw/zinc/01/62/89/333016289.db2.gz TZJOXTZPKPAJEE-GOSISDBHSA-N 0 1 289.419 3.649 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2conc2Cc2ccccc2)C1 ZINC000513419819 333018443 /nfs/dbraw/zinc/01/84/43/333018443.db2.gz JXWQCASYTIDMRY-CQSZACIVSA-N 0 1 282.387 3.663 20 0 CHADMN Cc1cccc(C)c1OCCNCc1cc(F)ccc1F ZINC000513593981 333026019 /nfs/dbraw/zinc/02/60/19/333026019.db2.gz KIKDPUFGVFQGIF-UHFFFAOYSA-N 0 1 291.341 3.750 20 0 CHADMN CCC(C)(C)OCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000308551185 333034918 /nfs/dbraw/zinc/03/49/18/333034918.db2.gz XLGDOVRZQGRVNW-SFHVURJKSA-N 0 1 298.430 3.966 20 0 CHADMN Cc1nc2sccn2c1CN(C)Cc1cc(C)ccc1C ZINC000513759901 333037857 /nfs/dbraw/zinc/03/78/57/333037857.db2.gz HQZBMSYZAFMMPK-UHFFFAOYSA-N 0 1 299.443 3.953 20 0 CHADMN CCOc1cccc(-c2nc3cccc(C)c3[nH]2)c1 ZINC000513868744 333044893 /nfs/dbraw/zinc/04/48/93/333044893.db2.gz ADMTVOARQYJMIW-UHFFFAOYSA-N 0 1 252.317 3.937 20 0 CHADMN C[C@H]([N@@H+](C)Cc1nc2ccccc2s1)C1(C)CC1 ZINC000177250334 333056152 /nfs/dbraw/zinc/05/61/52/333056152.db2.gz PBMNZUCGTRGGTP-NSHDSACASA-N 0 1 260.406 3.917 20 0 CHADMN CCCCC[N@@H+](Cc1cnc(C)cn1)[C@@H](C)CCC ZINC000514007957 333059662 /nfs/dbraw/zinc/05/96/62/333059662.db2.gz WQKGWGHNVAMFHI-HNNXBMFYSA-N 0 1 263.429 3.966 20 0 CHADMN CC(C)CN(Cc1nc(C(C)C)no1)CC(C)(C)C ZINC000177897238 333065295 /nfs/dbraw/zinc/06/52/95/333065295.db2.gz BVJGUFJQWNNWQI-UHFFFAOYSA-N 0 1 267.417 3.697 20 0 CHADMN Brc1ccc(CNC/C=C/c2ccccc2)o1 ZINC000178902848 333078163 /nfs/dbraw/zinc/07/81/63/333078163.db2.gz WPUNNURCUVKRKR-QPJJXVBHSA-N 0 1 292.176 3.845 20 0 CHADMN CCCCCN(C(=O)c1cc(-c2ccoc2)[nH]n1)C(C)C ZINC000516690701 333080850 /nfs/dbraw/zinc/08/08/50/333080850.db2.gz JLWMHSBCOLQCPD-UHFFFAOYSA-N 0 1 289.379 3.711 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000516777733 333082364 /nfs/dbraw/zinc/08/23/64/333082364.db2.gz OOBBXZYHCIWNIO-ZDUSSCGKSA-N 0 1 281.421 3.847 20 0 CHADMN C[C@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000516777206 333082405 /nfs/dbraw/zinc/08/24/05/333082405.db2.gz PXGDNJXTCCLOOH-NSHDSACASA-N 0 1 281.783 3.803 20 0 CHADMN CC(C)[C@@H]1CN([C@@H](C)c2c(F)cccc2F)CCCO1 ZINC000516788912 333082538 /nfs/dbraw/zinc/08/25/38/333082538.db2.gz BKUXXZDBOUZNRF-WFASDCNBSA-N 0 1 283.362 3.773 20 0 CHADMN Cc1nsc(C)c1CN(CCC(F)(F)F)CC1CC1 ZINC000516875438 333085031 /nfs/dbraw/zinc/08/50/31/333085031.db2.gz QBJZQQYPQZCPCW-UHFFFAOYSA-N 0 1 292.370 3.924 20 0 CHADMN Cc1ccc(CN[C@@H]2c3ccccc3O[C@@H]2C)c(C)c1 ZINC000516890201 333085384 /nfs/dbraw/zinc/08/53/84/333085384.db2.gz SRDPEIHVWWLEPE-KDOFPFPSSA-N 0 1 267.372 3.915 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+](C1CC1)C1CCCC1 ZINC000517381622 333098354 /nfs/dbraw/zinc/09/83/54/333098354.db2.gz LLGONYRNWOHHBW-UHFFFAOYSA-N 0 1 279.405 3.662 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNCc2ccc3c[nH]nc3c2)o1 ZINC000517542833 333101867 /nfs/dbraw/zinc/10/18/67/333101867.db2.gz DPOWSKMPBWFDRG-NHYWBVRUSA-N 0 1 281.359 3.569 20 0 CHADMN CSc1ccc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000517628987 333104393 /nfs/dbraw/zinc/10/43/93/333104393.db2.gz PDGJTPFHQPKYAH-HOTGVXAUSA-N 0 1 291.460 3.798 20 0 CHADMN CCCN(CC)CC(=O)N(CC)c1cccc2ccccc21 ZINC000521188031 333114157 /nfs/dbraw/zinc/11/41/57/333114157.db2.gz HMBVMNGCVAZGJU-UHFFFAOYSA-N 0 1 298.430 3.925 20 0 CHADMN CCCN(CC)Cc1coc(-c2ccc(C)cc2)n1 ZINC000521188079 333114411 /nfs/dbraw/zinc/11/44/11/333114411.db2.gz KTRMZGOBCSRZTG-UHFFFAOYSA-N 0 1 258.365 3.882 20 0 CHADMN CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1O ZINC000183771951 333122735 /nfs/dbraw/zinc/12/27/35/333122735.db2.gz XQXHWPVZPJWALI-RKDXNWHRSA-N 0 1 255.745 3.666 20 0 CHADMN CCOc1cc(C)ccc1CN[C@@H](C)c1cncc(C)c1 ZINC000184387410 333128038 /nfs/dbraw/zinc/12/80/38/333128038.db2.gz NKZMHYJGVPGNQW-HNNXBMFYSA-N 0 1 284.403 3.948 20 0 CHADMN CC[C@@H]1[C@@H](C)CCN1Cc1nc(Cc2ccccc2C)no1 ZINC000185615438 333144871 /nfs/dbraw/zinc/14/48/71/333144871.db2.gz FAIRCWWALRXGRC-GOEBONIOSA-N 0 1 299.418 3.589 20 0 CHADMN C[C@H](NCc1cnc2ccccc2c1)c1cccc(O)c1 ZINC000337197669 335125075 /nfs/dbraw/zinc/12/50/75/335125075.db2.gz YUBZHLDXVUWPII-ZDUSSCGKSA-N 0 1 278.355 3.791 20 0 CHADMN CC(C)c1nc([C@@H](C)NCCc2nccs2)cs1 ZINC000186300279 333158319 /nfs/dbraw/zinc/15/83/19/333158319.db2.gz NKNLUIAMLGDJJK-SNVBAGLBSA-N 0 1 281.450 3.616 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186589131 333163266 /nfs/dbraw/zinc/16/32/66/333163266.db2.gz HDNUCNBKIHNPRO-ZDUSSCGKSA-N 0 1 275.392 3.564 20 0 CHADMN CC(C)(C)OCc1cc(CN[C@H]2CCCC2(C)C)no1 ZINC000186803638 333165187 /nfs/dbraw/zinc/16/51/87/333165187.db2.gz NIMSEDXRBCHBBS-AWEZNQCLSA-N 0 1 280.412 3.658 20 0 CHADMN CCCN(CC)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000521814339 333189148 /nfs/dbraw/zinc/18/91/48/333189148.db2.gz WABZPMCCAQZRGH-UHFFFAOYSA-N 0 1 279.771 3.622 20 0 CHADMN CCc1cccc(COc2ccccc2-c2nnc[nH]2)c1 ZINC000189317613 333190258 /nfs/dbraw/zinc/19/02/58/333190258.db2.gz DCCMHLDAVBNKLQ-UHFFFAOYSA-N 0 1 279.343 3.613 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](C[C@H](O)C1CCCCC1)C1CC1 ZINC000190901032 333212027 /nfs/dbraw/zinc/21/20/27/333212027.db2.gz NCWLWPMJGBDFNS-CJNGLKHVSA-N 0 1 277.408 3.746 20 0 CHADMN Cc1c([C@@H](C)NCc2cc(F)cc(F)c2)cnn1C(C)C ZINC000191144007 333216001 /nfs/dbraw/zinc/21/60/01/333216001.db2.gz ZUIMDANOWGZJJE-LLVKDONJSA-N 0 1 293.361 3.901 20 0 CHADMN Cc1cncc(CN[C@H](C)c2csc(Cl)c2)c1 ZINC000191398182 333219344 /nfs/dbraw/zinc/21/93/44/333219344.db2.gz DXEUWTWFFZINBZ-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN CC(C)c1cnc(CNC[C@](C)(O)C2CCCCC2)s1 ZINC000191669990 333223426 /nfs/dbraw/zinc/22/34/26/333223426.db2.gz HNIHBDMQCVNOQM-INIZCTEOSA-N 0 1 296.480 3.687 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCS[C@@H](C)CC1 ZINC000192182860 333231999 /nfs/dbraw/zinc/23/19/99/333231999.db2.gz NVDRZEVEEJYLBO-QWRGUYRKSA-N 0 1 271.376 3.853 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN(C(C)C)C1CC1 ZINC000192633617 333237018 /nfs/dbraw/zinc/23/70/18/333237018.db2.gz VKPNVUKRHZFPJZ-UHFFFAOYSA-N 0 1 274.408 3.621 20 0 CHADMN c1coc(-c2ncc(CNCc3cccs3)s2)c1 ZINC000192980921 333240951 /nfs/dbraw/zinc/24/09/51/333240951.db2.gz QZKXCWRPMQZGAI-UHFFFAOYSA-N 0 1 276.386 3.754 20 0 CHADMN Fc1cccc(CNCc2cnc(-c3ccco3)s2)c1 ZINC000192994770 333241126 /nfs/dbraw/zinc/24/11/26/333241126.db2.gz ZEVXRFOIQCXJBE-UHFFFAOYSA-N 0 1 288.347 3.832 20 0 CHADMN C[C@@H](N[C@@H]1COCc2ccccc21)c1ccc(F)c(F)c1 ZINC000225985192 333244065 /nfs/dbraw/zinc/24/40/65/333244065.db2.gz QGDWFFSMIDIHIG-PIGZYNQJSA-N 0 1 289.325 3.887 20 0 CHADMN COc1ncccc1CN1CCC(c2ccsc2)CC1 ZINC000193565605 333253352 /nfs/dbraw/zinc/25/33/52/333253352.db2.gz JALGRAKFVFRMHJ-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN CC1(C)[C@H](c2ccccc2)CCN1Cc1nnc(C2CC2)o1 ZINC000575911877 335130276 /nfs/dbraw/zinc/13/02/76/335130276.db2.gz DWAGVZCQOMXIMT-HNNXBMFYSA-N 0 1 297.402 3.715 20 0 CHADMN CC[N@H+](Cc1cnc(-c2ccco2)s1)CC(C)C ZINC000194330752 333269259 /nfs/dbraw/zinc/26/92/59/333269259.db2.gz GJVDQBQQUUHGHB-UHFFFAOYSA-N 0 1 264.394 3.881 20 0 CHADMN CN(CCC(=O)OC(C)(C)C)Cc1cc(Cl)cs1 ZINC000194415251 333270800 /nfs/dbraw/zinc/27/08/00/333270800.db2.gz YUPBZSQDCFADEH-UHFFFAOYSA-N 0 1 289.828 3.565 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1cccc2c1OCCO2 ZINC000194959880 333280064 /nfs/dbraw/zinc/28/00/64/333280064.db2.gz CQPRNLZGHRCSJE-CQSZACIVSA-N 0 1 283.371 3.651 20 0 CHADMN C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000227823969 333288778 /nfs/dbraw/zinc/28/87/78/333288778.db2.gz KESVSRRKVCXREK-UGSOOPFHSA-N 0 1 289.419 3.842 20 0 CHADMN CCO[C@@H]1C[C@H](NCc2nc(C)c(C)o2)C12CCCCC2 ZINC000227863313 333289480 /nfs/dbraw/zinc/28/94/80/333289480.db2.gz CWMRDIWTRPDUDG-LSDHHAIUSA-N 0 1 292.423 3.509 20 0 CHADMN Cc1ccc([C@H](N)C(=O)Nc2cccc(C(C)C)c2)cc1 ZINC000228077483 333294424 /nfs/dbraw/zinc/29/44/24/333294424.db2.gz SDWMKIORVXLPAL-KRWDZBQOSA-N 0 1 282.387 3.757 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@H](C)c2c(F)cccc2F)C1(C)C ZINC000250481365 333305813 /nfs/dbraw/zinc/30/58/13/333305813.db2.gz FWKWRALESGVYBP-LERXQTSPSA-N 0 1 283.362 3.819 20 0 CHADMN Cc1cccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1C ZINC000230060785 333312729 /nfs/dbraw/zinc/31/27/29/333312729.db2.gz DZRPLCRODWWPAM-XIRDDKMYSA-N 0 1 287.403 3.521 20 0 CHADMN CCC(CC)N(Cc1nc(Cc2ccccc2)no1)C1CC1 ZINC000523224639 333312855 /nfs/dbraw/zinc/31/28/55/333312855.db2.gz NRTQNNSWVPZYKH-UHFFFAOYSA-N 0 1 299.418 3.813 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cncc(F)c2)cc1F ZINC000230941622 333322993 /nfs/dbraw/zinc/32/29/93/333322993.db2.gz WCTPFYFLNJJZLH-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@@H](C)c2ncc(C)o2)C12CCCCC2 ZINC000231738611 333328865 /nfs/dbraw/zinc/32/88/65/333328865.db2.gz YLVOBGLQMJKZTH-RRFJBIMHSA-N 0 1 292.423 3.762 20 0 CHADMN CCc1nc(CN2CCC[C@@H](C(C)C)CC2)cs1 ZINC000303570732 333344188 /nfs/dbraw/zinc/34/41/88/333344188.db2.gz BNHUENYUUWSDQG-CYBMUJFWSA-N 0 1 266.454 3.964 20 0 CHADMN CN(CCCc1ccccc1)Cc1ccncc1Cl ZINC000173524534 335135962 /nfs/dbraw/zinc/13/59/62/335135962.db2.gz DORCPOXUDNTLKU-UHFFFAOYSA-N 0 1 274.795 3.800 20 0 CHADMN CC[C@@H](C)[N@@H+](CCCc1cccc2ccccc21)CC(=O)[O-] ZINC000236865599 333375986 /nfs/dbraw/zinc/37/59/86/333375986.db2.gz RICVFECZZVSFNZ-OAHLLOKOSA-N 0 1 299.414 3.958 20 0 CHADMN COC(=O)c1cc(CN[C@@H](c2ccccc2)C2CC2)oc1C ZINC000237083921 333377713 /nfs/dbraw/zinc/37/77/13/333377713.db2.gz MOCJQADXMCYZHN-KRWDZBQOSA-N 0 1 299.370 3.616 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000315815552 333383948 /nfs/dbraw/zinc/38/39/48/333383948.db2.gz DZTDWKHXJCNPQM-CYBMUJFWSA-N 0 1 299.418 3.851 20 0 CHADMN CCc1cnc(CN2C[C@@H](c3ccc(F)cc3)C[C@H]2C)o1 ZINC000524756773 333387179 /nfs/dbraw/zinc/38/71/79/333387179.db2.gz PNCWBNUAGZYVBR-OCCSQVGLSA-N 0 1 288.366 3.754 20 0 CHADMN COCc1nc(CN2CC[C@H](C)[C@H]3CCCC[C@H]32)cs1 ZINC000524759078 333387263 /nfs/dbraw/zinc/38/72/63/333387263.db2.gz ZCLYLTVAPWKDAH-NWANDNLSSA-N 0 1 294.464 3.690 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2cc(-c3cccs3)on2)C1 ZINC000524893921 333392371 /nfs/dbraw/zinc/39/23/71/333392371.db2.gz UHRFWAHHUMSVNZ-QWRGUYRKSA-N 0 1 262.378 3.633 20 0 CHADMN Cc1ncc(CN[C@@H](c2ccc(C)cc2)C2CC2)o1 ZINC000398051917 333431779 /nfs/dbraw/zinc/43/17/79/333431779.db2.gz FYZPTVJUJSTWJN-INIZCTEOSA-N 0 1 256.349 3.532 20 0 CHADMN COc1ccc(F)cc1[C@H](C)NC/C=C(/C)Cl ZINC000528432362 333437194 /nfs/dbraw/zinc/43/71/94/333437194.db2.gz IAXKHEFRIQRKOR-MBACFSSFSA-N 0 1 257.736 3.628 20 0 CHADMN COc1cc(CN2C3CCC2CC3)cc(C(F)(F)F)c1 ZINC000529522322 333492760 /nfs/dbraw/zinc/49/27/60/333492760.db2.gz VBLGVGHXJHDEDF-UHFFFAOYSA-N 0 1 285.309 3.841 20 0 CHADMN COc1ccc([C@H](C)NCc2cccc(C)c2)c(F)c1 ZINC000037230803 333520071 /nfs/dbraw/zinc/52/00/71/333520071.db2.gz NYSJPSNKTAVLKC-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN Cc1cc(CNCc2ccccc2OC(F)F)cs1 ZINC000328568867 333535171 /nfs/dbraw/zinc/53/51/71/333535171.db2.gz PUQUINZIBWCCCF-UHFFFAOYSA-N 0 1 283.343 3.948 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@@H](CO)c2cccc(F)c2)c1 ZINC000537982888 333553574 /nfs/dbraw/zinc/55/35/74/333553574.db2.gz PQFUHFYHYDLDEU-KDOFPFPSSA-N 0 1 287.378 3.827 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCCC2(CCCCC2)C1 ZINC000124108139 333556122 /nfs/dbraw/zinc/55/61/22/333556122.db2.gz BEGOSELVOATEAZ-UHFFFAOYSA-N 0 1 291.366 3.718 20 0 CHADMN CC1CCC(CN[C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000126154732 333591539 /nfs/dbraw/zinc/59/15/39/333591539.db2.gz ORSUZTYEUDZWFA-VMBOVVBDSA-N 0 1 283.419 3.915 20 0 CHADMN CC[C@H](NCc1cccc(C)n1)c1cccc(OC)c1 ZINC000127223984 333623584 /nfs/dbraw/zinc/62/35/84/333623584.db2.gz QFNLZMZCMBGMLJ-KRWDZBQOSA-N 0 1 270.376 3.640 20 0 CHADMN CO[C@@H](c1ccc(F)cc1)[C@H](C)NCc1ccc(Cl)o1 ZINC000538876686 333641647 /nfs/dbraw/zinc/64/16/47/333641647.db2.gz SHHMCJNLZGHOIL-ZUZCIYMTSA-N 0 1 297.757 3.938 20 0 CHADMN CCOc1ncccc1CNC/C(C)=C\c1ccccc1 ZINC000539712063 333686897 /nfs/dbraw/zinc/68/68/97/333686897.db2.gz GGCDOPZYYVVJPN-QINSGFPZSA-N 0 1 282.387 3.673 20 0 CHADMN CCc1cc(CN[C@H]2c3cc(C)ccc3C[C@H]2C)on1 ZINC000539812310 333691920 /nfs/dbraw/zinc/69/19/20/333691920.db2.gz RMGWNAXRXSRFMS-SJKOYZFVSA-N 0 1 270.376 3.569 20 0 CHADMN O=C(c1c(O)cccc1F)N(CC1CC1)c1ccccc1 ZINC000128831560 333716511 /nfs/dbraw/zinc/71/65/11/333716511.db2.gz LGUQCZHMDMJIPC-UHFFFAOYSA-N 0 1 285.318 3.588 20 0 CHADMN CCCCNC(=O)CN[C@@H](c1ccccc1Cl)C(C)C ZINC000540388299 333727641 /nfs/dbraw/zinc/72/76/41/333727641.db2.gz LRZGZTJSCVKSCU-MRXNPFEDSA-N 0 1 296.842 3.543 20 0 CHADMN Clc1cccc(N2CCCC2)c1CN1CCCCC1 ZINC000540505751 333733094 /nfs/dbraw/zinc/73/30/94/333733094.db2.gz UDAIEARSQPDHIH-UHFFFAOYSA-N 0 1 278.827 3.926 20 0 CHADMN CC/C=C/CC[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000576114323 335156438 /nfs/dbraw/zinc/15/64/38/335156438.db2.gz RTVLGYWTNSAWBF-ONEGZZNKSA-N 0 1 297.345 3.598 20 0 CHADMN CCC(CC)CN[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000541544108 333778950 /nfs/dbraw/zinc/77/89/50/333778950.db2.gz PITONDPQNHLINQ-QGZVFWFLSA-N 0 1 287.382 3.731 20 0 CHADMN CC(C)COCCN[C@@H](C)c1ccc(F)cc1Cl ZINC000129798108 333795396 /nfs/dbraw/zinc/79/53/96/333795396.db2.gz TWGUSGWUYCIWGJ-NSHDSACASA-N 0 1 273.779 3.802 20 0 CHADMN Cc1cnc(C(C)(C)NCCO[C@@H]2CCCC[C@@H]2C)s1 ZINC000542580222 333833095 /nfs/dbraw/zinc/83/30/95/333833095.db2.gz JUOLXBXOBQMDJB-GXTWGEPZSA-N 0 1 296.480 3.872 20 0 CHADMN C[C@H](NCc1cnn2ccccc12)c1ccccc1Cl ZINC000071372688 333857089 /nfs/dbraw/zinc/85/70/89/333857089.db2.gz RIRVVSZRZDXPCE-LBPRGKRZSA-N 0 1 285.778 3.839 20 0 CHADMN COCC1(NCc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000543763483 333897008 /nfs/dbraw/zinc/89/70/08/333897008.db2.gz BZDMKTCRKPMTKW-UHFFFAOYSA-N 0 1 297.398 3.631 20 0 CHADMN COc1nc2ccccc2cc1CN[C@@H](C)CC(F)(F)F ZINC000545242157 333972881 /nfs/dbraw/zinc/97/28/81/333972881.db2.gz FSMAPBXMGLRVQE-JTQLQIEISA-N 0 1 298.308 3.674 20 0 CHADMN OCC[C@@H](N[C@@H]1CCc2c1cccc2Cl)c1ccco1 ZINC000545279524 333975693 /nfs/dbraw/zinc/97/56/93/333975693.db2.gz BWBRMRJVOCXRJP-HUUCEWRRSA-N 0 1 291.778 3.634 20 0 CHADMN CC/C=C\CCN1CCO[C@@H](c2ccccc2C)C1 ZINC000545937710 334007703 /nfs/dbraw/zinc/00/77/03/334007703.db2.gz XICODBUXKHEMSU-VGOKWCNXSA-N 0 1 259.393 3.725 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@@H]1CCc3ccccc31)CO2 ZINC000545942679 334008238 /nfs/dbraw/zinc/00/82/38/334008238.db2.gz FSLIWYMRUWDSAJ-HZPDHXFCSA-N 0 1 269.319 3.536 20 0 CHADMN FC(F)(F)c1cnc(N2CCc3cnccc32)c(Cl)c1 ZINC000175006017 335171032 /nfs/dbraw/zinc/17/10/32/335171032.db2.gz IADJEVKFVOXMNO-UHFFFAOYSA-N 0 1 299.683 3.843 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1nc(-c2ccc(F)cc2)no1 ZINC000075020885 334024075 /nfs/dbraw/zinc/02/40/75/334024075.db2.gz QIQASMVPOVXWOC-TXEJJXNPSA-N 0 1 289.354 3.639 20 0 CHADMN Clc1ccc2nc(SCCCc3cn[nH]c3)[nH]c2c1 ZINC000133250336 334031097 /nfs/dbraw/zinc/03/10/97/334031097.db2.gz XXQZUJFBEFMAIB-UHFFFAOYSA-N 0 1 292.795 3.664 20 0 CHADMN CCC[C@@H](C)c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000546434844 334032517 /nfs/dbraw/zinc/03/25/17/334032517.db2.gz KEKQNISYXHAGGD-SECBINFHSA-N 0 1 270.336 3.825 20 0 CHADMN CC(C)c1ccc(C[C@@H]2CCN(Cc3ccon3)C2)cc1 ZINC000546596850 334039374 /nfs/dbraw/zinc/03/93/74/334039374.db2.gz QPXXXXGPFWVHJF-INIZCTEOSA-N 0 1 284.403 3.863 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccccc1Cc1ccccc1 ZINC000075469333 334042744 /nfs/dbraw/zinc/04/27/44/334042744.db2.gz XHSZSBUJLNRBOU-UHFFFAOYSA-N 0 1 291.354 3.561 20 0 CHADMN Cc1cnc(CN2CCC[C@H](C(C)(C)C)CC2)o1 ZINC000075747017 334050035 /nfs/dbraw/zinc/05/00/35/334050035.db2.gz GOVOVDALRJVORM-ZDUSSCGKSA-N 0 1 250.386 3.631 20 0 CHADMN CC[C@H](CC(F)(F)F)NCc1nc2ccccc2n1CC ZINC000546878006 334053145 /nfs/dbraw/zinc/05/31/45/334053145.db2.gz YHSKDVMRYIOZBG-LLVKDONJSA-N 0 1 299.340 3.877 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1cc(C)on1 ZINC000075886088 334057255 /nfs/dbraw/zinc/05/72/55/334057255.db2.gz KHPJKLFKCMKBKR-KRWDZBQOSA-N 0 1 272.392 3.745 20 0 CHADMN CC[C@@H](CC(F)(F)F)NCc1cc(F)c(F)cc1F ZINC000546972336 334058851 /nfs/dbraw/zinc/05/88/51/334058851.db2.gz LYZGIKPLXBVNFT-QMMMGPOBSA-N 0 1 285.231 3.925 20 0 CHADMN C[C@H]1CC[C@H](Cc2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000547144383 334068920 /nfs/dbraw/zinc/06/89/20/334068920.db2.gz JLKHSEOLYAEODJ-QWRGUYRKSA-N 0 1 282.347 3.592 20 0 CHADMN CCCC1(c2nc(-c3cc4nc[nH]c4c(C)c3)no2)CC1 ZINC000547146084 334069284 /nfs/dbraw/zinc/06/92/84/334069284.db2.gz ZZFCDGYLCMOTQC-UHFFFAOYSA-N 0 1 282.347 3.753 20 0 CHADMN C[C@H]1CCCN1Cc1csc(-c2ccc(F)cc2)n1 ZINC000076114792 334073182 /nfs/dbraw/zinc/07/31/82/334073182.db2.gz CYKKZFPCZIEEDZ-NSHDSACASA-N 0 1 276.380 3.934 20 0 CHADMN Cc1ccccc1-c1nc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)no1 ZINC000134089926 334079841 /nfs/dbraw/zinc/07/98/41/334079841.db2.gz WJCFQKLKUKPJJU-GASCZTMLSA-N 0 1 297.402 3.667 20 0 CHADMN Cc1ccccc1-c1nc(CN2C[C@@H]3CCCC[C@@H]3C2)no1 ZINC000134089926 334079842 /nfs/dbraw/zinc/07/98/42/334079842.db2.gz WJCFQKLKUKPJJU-GASCZTMLSA-N 0 1 297.402 3.667 20 0 CHADMN Cc1ccccc1[C@H]1C[C@H](C)N(Cc2nc(C(C)C)no2)C1 ZINC000076386135 334080264 /nfs/dbraw/zinc/08/02/64/334080264.db2.gz DUJARXHUZLQKAU-GJZGRUSLSA-N 0 1 299.418 3.879 20 0 CHADMN COc1cc(CN[C@H](C)c2ccco2)ccc1OC(F)F ZINC000237227266 334084366 /nfs/dbraw/zinc/08/43/66/334084366.db2.gz GZJPBAZUTQLBGV-SNVBAGLBSA-N 0 1 297.301 3.740 20 0 CHADMN COC(=O)c1coc(CN[C@H](c2ccccc2)C(C)C)c1 ZINC000134501335 334092318 /nfs/dbraw/zinc/09/23/18/334092318.db2.gz WEAUZKWJRQGWMW-INIZCTEOSA-N 0 1 287.359 3.553 20 0 CHADMN Cc1ccc(C(=O)CCN2CCC[C@@H]2c2ccccn2)cc1 ZINC000547507023 334095963 /nfs/dbraw/zinc/09/59/63/334095963.db2.gz QTAXNWSCQOCFNR-GOSISDBHSA-N 0 1 294.398 3.800 20 0 CHADMN C[C@@H](NCc1cccs1)c1nc2c(s1)CCC2 ZINC000134675006 334100024 /nfs/dbraw/zinc/10/00/24/334100024.db2.gz BKHMGUPRNBGOAH-SECBINFHSA-N 0 1 264.419 3.544 20 0 CHADMN Cc1cccc(CN[C@H](C)c2nc3c(s2)CCC3)c1 ZINC000134702525 334101196 /nfs/dbraw/zinc/10/11/96/334101196.db2.gz LKDOLNUVGKZYKE-GFCCVEGCSA-N 0 1 272.417 3.791 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1ccc(F)cc1Br ZINC000134968842 334109824 /nfs/dbraw/zinc/10/98/24/334109824.db2.gz BFGHOBPHBWJMNH-VHSXEESVSA-N 0 1 286.188 3.819 20 0 CHADMN C[C@H]1C[C@H](C)N1CCCc1ccccc1Br ZINC000547770158 334116145 /nfs/dbraw/zinc/11/61/45/334116145.db2.gz RDVMCNQHDLMRQW-RYUDHWBXSA-N 0 1 282.225 3.864 20 0 CHADMN COc1cccc(F)c1[C@@H](C)NCCOCCC(C)C ZINC000135142524 334117545 /nfs/dbraw/zinc/11/75/45/334117545.db2.gz DOKUDQZUAXXAHF-CYBMUJFWSA-N 0 1 283.387 3.548 20 0 CHADMN COc1ccc(COc2cc(C)nc(C)c2)cc1Cl ZINC000547814640 334121707 /nfs/dbraw/zinc/12/17/07/334121707.db2.gz ASBGQVWGDIXTAR-UHFFFAOYSA-N 0 1 277.751 3.939 20 0 CHADMN C[C@H](N[C@H]1CCO[C@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000135294494 334123935 /nfs/dbraw/zinc/12/39/35/334123935.db2.gz PTIOUCAKUWGTQI-UPFKWVMWSA-N 0 1 292.181 3.961 20 0 CHADMN C[C@@H](C(=O)Nc1cc(Cl)ccc1F)N(C)CCC1CC1 ZINC000135299693 334124783 /nfs/dbraw/zinc/12/47/83/334124783.db2.gz ZDWLOJYJPDHXGJ-JTQLQIEISA-N 0 1 298.789 3.538 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2NCc1cc(-c2ccccc2)n[nH]1 ZINC000135870538 334140441 /nfs/dbraw/zinc/14/04/41/334140441.db2.gz FUCGCXXNBHBHNR-INIZCTEOSA-N 0 1 293.370 3.837 20 0 CHADMN CCCc1noc(CN[C@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000548210791 334146626 /nfs/dbraw/zinc/14/66/26/334146626.db2.gz HVCBQWXQAVYXEK-HOTGVXAUSA-N 0 1 299.418 3.838 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(C)cc1F ZINC000136182529 334149121 /nfs/dbraw/zinc/14/91/21/334149121.db2.gz KZYAYGQFBVAZRP-UHFFFAOYSA-N 0 1 275.327 3.541 20 0 CHADMN CSc1ccc(CN(C)[C@@H](C)c2cccnc2)cc1 ZINC000079601409 334157699 /nfs/dbraw/zinc/15/76/99/334157699.db2.gz VQJXUJRUDSAZFZ-ZDUSSCGKSA-N 0 1 272.417 3.997 20 0 CHADMN CCc1ccc(CN2CCC[C@H]2c2ccc(COC)o2)o1 ZINC000137068941 334168507 /nfs/dbraw/zinc/16/85/07/334168507.db2.gz NNTYEIOMVABPDX-INIZCTEOSA-N 0 1 289.375 3.919 20 0 CHADMN Cc1ccc(CNCc2cccc3c2OC(C)(C)C3)cc1 ZINC000080506931 334172333 /nfs/dbraw/zinc/17/23/33/334172333.db2.gz WWPXZQYNOQBNPX-UHFFFAOYSA-N 0 1 281.399 3.998 20 0 CHADMN CCS[C@H](C)c1noc(CN(CC2CC2)CC2CC2)n1 ZINC000137482129 334173276 /nfs/dbraw/zinc/17/32/76/334173276.db2.gz KUDNULYVGARRNK-LLVKDONJSA-N 0 1 295.452 3.506 20 0 CHADMN CC=Cc1ccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000548799676 334174786 /nfs/dbraw/zinc/17/47/86/334174786.db2.gz HONKUYGKEDXZIT-HKLWWIALSA-N 0 1 296.374 3.642 20 0 CHADMN CCc1cnc(CN(C)[C@@H](C)C2CCCCC2)o1 ZINC000548930757 334180746 /nfs/dbraw/zinc/18/07/46/334180746.db2.gz SBSQMURQMZETCS-LBPRGKRZSA-N 0 1 250.386 3.638 20 0 CHADMN COc1ccc(-c2n[nH]c(S[C@@H]3CC[C@H](C)C3)n2)cc1 ZINC000549011029 334182458 /nfs/dbraw/zinc/18/24/58/334182458.db2.gz UEZPCYYOAFGDFY-GXFFZTMASA-N 0 1 289.404 3.761 20 0 CHADMN Cc1ccc2c(c1)CN(C[C@H]1CCC3(CCCC3)O1)C2 ZINC000549172739 334187232 /nfs/dbraw/zinc/18/72/32/334187232.db2.gz MJNNJSVOFAEHPO-QGZVFWFLSA-N 0 1 271.404 3.802 20 0 CHADMN CC(C)COc1ccc(CN2CC[C@H](OC(F)F)C2)cc1 ZINC000549452468 334194296 /nfs/dbraw/zinc/19/42/96/334194296.db2.gz RDDPZISAWVNWOZ-HNNXBMFYSA-N 0 1 299.361 3.535 20 0 CHADMN Clc1cnn([C@@H]2CC[N@H+]([C@@H]3C=CCCCCC3)C2)c1 ZINC000549717987 334202801 /nfs/dbraw/zinc/20/28/01/334202801.db2.gz OFPVFBLJFPEIQN-HUUCEWRRSA-N 0 1 279.815 3.672 20 0 CHADMN C[C@H](NCc1cccc(Cl)c1Cl)c1cc[nH]c(=O)c1 ZINC000549859294 334206893 /nfs/dbraw/zinc/20/68/93/334206893.db2.gz PMJXGVSHSPQVMU-VIFPVBQESA-N 0 1 297.185 3.945 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1cn2ccsc2n1 ZINC000549869684 334207738 /nfs/dbraw/zinc/20/77/38/334207738.db2.gz XHFKPHAWLDPIAT-UHFFFAOYSA-N 0 1 285.416 3.729 20 0 CHADMN Cc1ccccc1CNCc1conc1Cc1ccccc1 ZINC000550077976 334212472 /nfs/dbraw/zinc/21/24/72/334212472.db2.gz LTXSPCLXEQRKJH-UHFFFAOYSA-N 0 1 292.382 3.864 20 0 CHADMN COc1ccc(F)c(CNC(C)(C)c2cccc(F)c2)c1 ZINC000550156770 334214633 /nfs/dbraw/zinc/21/46/33/334214633.db2.gz IPJKUVOYQIJJEX-UHFFFAOYSA-N 0 1 291.341 3.998 20 0 CHADMN CCCC[N@@H+](Cc1nc([C@H](C)OC)no1)C1CCCCC1 ZINC000550525005 334223961 /nfs/dbraw/zinc/22/39/61/334223961.db2.gz QBSYPZAHPCYNGM-ZDUSSCGKSA-N 0 1 295.427 3.712 20 0 CHADMN CCCCN(Cc1nc([C@H](C)OC)no1)C1CCCCC1 ZINC000550525005 334223962 /nfs/dbraw/zinc/22/39/62/334223962.db2.gz QBSYPZAHPCYNGM-ZDUSSCGKSA-N 0 1 295.427 3.712 20 0 CHADMN Cc1ccc([C@@H]2CCC[C@@H]2NCC(C)(F)F)cc1 ZINC000550882655 334231686 /nfs/dbraw/zinc/23/16/86/334231686.db2.gz QMXCKZWTMZZISE-KBPBESRZSA-N 0 1 253.336 3.876 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cn3ccccc3n2)cc1 ZINC000550885581 334231764 /nfs/dbraw/zinc/23/17/64/334231764.db2.gz HEUJCNNPZYKTEN-KGLIPLIRSA-N 0 1 295.386 3.755 20 0 CHADMN CC(C)C[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccccn1 ZINC000550928829 334233714 /nfs/dbraw/zinc/23/37/14/334233714.db2.gz SOOVXDHNTVFLKH-GZBFAFLISA-N 0 1 250.361 3.649 20 0 CHADMN C[C@H](NCC(C)(C)C(F)(F)F)c1cn2ccccc2n1 ZINC000550938503 334234485 /nfs/dbraw/zinc/23/44/85/334234485.db2.gz CDZRGKBCQWDHSJ-JTQLQIEISA-N 0 1 285.313 3.573 20 0 CHADMN C[C@@H]1CN(C[C@H]2CCC(F)(F)C2)[C@H](c2ccccc2)CO1 ZINC000551063534 334237692 /nfs/dbraw/zinc/23/76/92/334237692.db2.gz SVCSCAUCWGZMCH-YCPHGPKFSA-N 0 1 295.373 3.884 20 0 CHADMN CCc1ccc(CN(C)Cc2ncc(C)c(OC)c2C)cc1 ZINC000551138793 334239206 /nfs/dbraw/zinc/23/92/06/334239206.db2.gz ISOZJKATQJPSIA-UHFFFAOYSA-N 0 1 298.430 3.901 20 0 CHADMN CC(F)(F)CN[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000551255815 334243189 /nfs/dbraw/zinc/24/31/89/334243189.db2.gz TWVHIUHTYOTEHP-KGLIPLIRSA-N 0 1 253.336 3.958 20 0 CHADMN Cc1ccc([C@@H](N[C@@H]2CCC[C@@H]2F)C2CCC2)o1 ZINC000551304615 334245887 /nfs/dbraw/zinc/24/58/87/334245887.db2.gz KNGIPDSFIPSKTK-GUTXKFCHSA-N 0 1 251.345 3.909 20 0 CHADMN Cc1cccc(C)c1CN[C@@H]1COCc2ccccc21 ZINC000551314731 334246671 /nfs/dbraw/zinc/24/66/71/334246671.db2.gz GQARUZVMIMCAAD-GOSISDBHSA-N 0 1 267.372 3.665 20 0 CHADMN Cc1cccnc1CN1CCC(CC(F)(F)F)CC1 ZINC000551402010 334249387 /nfs/dbraw/zinc/24/93/87/334249387.db2.gz QRSRQEMFSROJOC-UHFFFAOYSA-N 0 1 272.314 3.554 20 0 CHADMN Fc1ccccc1CN1CCC(CC(F)(F)F)CC1 ZINC000551707674 334258716 /nfs/dbraw/zinc/25/87/16/334258716.db2.gz OCWRCFUTEIGVKX-UHFFFAOYSA-N 0 1 275.289 3.990 20 0 CHADMN C[C@@H]1CCN(Cc2nc(C3CCCC3)no2)C[C@@H](C)C1 ZINC000246674845 334266832 /nfs/dbraw/zinc/26/68/32/334266832.db2.gz LNUNAHNZUJIERV-OLZOCXBDSA-N 0 1 277.412 3.595 20 0 CHADMN CCc1nocc1CN(CC)Cc1ccc(C)cc1 ZINC000551941129 334267240 /nfs/dbraw/zinc/26/72/40/334267240.db2.gz QYGMAQPFMXTAJN-UHFFFAOYSA-N 0 1 258.365 3.568 20 0 CHADMN Cc1ccc(-c2noc([C@@H](C)N3CCC[C@H]3C)n2)cc1F ZINC000247489698 334282833 /nfs/dbraw/zinc/28/28/33/334282833.db2.gz KVTLWIXXKFSYBM-VXGBXAGGSA-N 0 1 289.354 3.729 20 0 CHADMN Cc1ccc(CN2CCOC3(CCCCC3)C2)cc1 ZINC000552064483 334284324 /nfs/dbraw/zinc/28/43/24/334284324.db2.gz SWTAZWMGVDUTPF-UHFFFAOYSA-N 0 1 259.393 3.530 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](c2nccn2C)C2CC2)cc1 ZINC000552090423 334288408 /nfs/dbraw/zinc/28/84/08/334288408.db2.gz JLTVBDHHKWNBIC-SUMWQHHRSA-N 0 1 283.419 3.784 20 0 CHADMN C[C@@H](Cc1ccsc1)N[C@@H](C)c1c(F)cncc1F ZINC000552092999 334288581 /nfs/dbraw/zinc/28/85/81/334288581.db2.gz RQBPWWVPHANXII-UWVGGRQHSA-N 0 1 282.359 3.703 20 0 CHADMN Clc1ccc2ncc(CN3CC[C@@H](CC4CC4)C3)n2c1 ZINC000552138561 334293962 /nfs/dbraw/zinc/29/39/62/334293962.db2.gz XIKPYIPURTXCPJ-ZDUSSCGKSA-N 0 1 289.810 3.610 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3CC34CCCCC4)ccc12 ZINC000552175247 334299049 /nfs/dbraw/zinc/29/90/49/334299049.db2.gz PYUOMJZNCWTZJO-AWEZNQCLSA-N 0 1 283.375 3.780 20 0 CHADMN CCCC[C@@H]1CCC[C@@H]1N[C@H](C)c1nc(C2CC2)no1 ZINC000248398098 334300018 /nfs/dbraw/zinc/30/00/18/334300018.db2.gz MRQBPEPLWHORGK-BZPMIXESSA-N 0 1 277.412 3.957 20 0 CHADMN Fc1cccc2c1CN(Cc1ccnc3ccccc13)CC2 ZINC000552277920 334311869 /nfs/dbraw/zinc/31/18/69/334311869.db2.gz MXAUFILWPADPNM-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN Fc1cccc2c1C[N@@H+](CC1=Cc3ccccc3OC1)CC2 ZINC000552278582 334312265 /nfs/dbraw/zinc/31/22/65/334312265.db2.gz GMMQXKQTOISQLF-UHFFFAOYSA-N 0 1 295.357 3.660 20 0 CHADMN Fc1cccc2c1CN(CC1=Cc3ccccc3OC1)CC2 ZINC000552278582 334312267 /nfs/dbraw/zinc/31/22/67/334312267.db2.gz GMMQXKQTOISQLF-UHFFFAOYSA-N 0 1 295.357 3.660 20 0 CHADMN COC[C@H]1CCN1Cc1ccc(-c2ccccc2Cl)o1 ZINC000552315456 334315957 /nfs/dbraw/zinc/31/59/57/334315957.db2.gz RZFXHDQJDGMXIZ-GFCCVEGCSA-N 0 1 291.778 3.821 20 0 CHADMN CC[C@@H]1CN(Cc2cocn2)CC[C@H]1c1ccccc1 ZINC000248845475 334319592 /nfs/dbraw/zinc/31/95/92/334319592.db2.gz AIYCFPMOCSZAQP-RHSMWYFYSA-N 0 1 270.376 3.690 20 0 CHADMN CC[C@H]1CN(Cc2cocn2)CC[C@H]1c1ccccc1 ZINC000248845479 334319607 /nfs/dbraw/zinc/31/96/07/334319607.db2.gz AIYCFPMOCSZAQP-WMLDXEAASA-N 0 1 270.376 3.690 20 0 CHADMN CC(C)[C@H]1C[N@@H+](C[C@@H](C)c2cccc(Cl)c2)CCN1C ZINC000564390951 334321025 /nfs/dbraw/zinc/32/10/25/334321025.db2.gz VWKHUAQFOIQSTD-RHSMWYFYSA-N 0 1 294.870 3.716 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@@H](C)C1)c1nc(Cc2ccccc2)no1 ZINC000248911748 334321734 /nfs/dbraw/zinc/32/17/34/334321734.db2.gz YEVFKTPMAKRKHG-IIAWOOMASA-N 0 1 299.418 3.890 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCS[C@H](C)CC1 ZINC000249079971 334326798 /nfs/dbraw/zinc/32/67/98/334326798.db2.gz RLPKXURWWJYGPA-GHMZBOCLSA-N 0 1 271.376 3.853 20 0 CHADMN C[C@@H]1CC[C@H](N[C@@H](c2ncc[nH]2)c2ccccc2)C[C@@H]1C ZINC000249188612 334329734 /nfs/dbraw/zinc/32/97/34/334329734.db2.gz MLXZNSCYONFJGR-YQFWSFKMSA-N 0 1 283.419 3.913 20 0 CHADMN CCC[C@H](C)N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000249414132 334333573 /nfs/dbraw/zinc/33/35/73/334333573.db2.gz YSVZQEYCEVNQJV-OUCADQQQSA-N 0 1 253.411 3.699 20 0 CHADMN FC(F)Oc1ccccc1NCc1ccc2nc[nH]c2c1 ZINC000552522804 334333630 /nfs/dbraw/zinc/33/36/30/334333630.db2.gz GTXQADGVSIMNRV-UHFFFAOYSA-N 0 1 289.285 3.776 20 0 CHADMN Cc1ccc(C(=O)Nc2cccc(Cl)c2O)cc1 ZINC000143094262 334339247 /nfs/dbraw/zinc/33/92/47/334339247.db2.gz MAFGLHUARLVNHL-UHFFFAOYSA-N 0 1 261.708 3.606 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1C[C@@H](C)CC[C@H]1C ZINC000250525453 334345829 /nfs/dbraw/zinc/34/58/29/334345829.db2.gz WJGBHYRBEXRWOF-UONOGXRCSA-N 0 1 289.419 3.908 20 0 CHADMN Cc1cccc(C)c1C[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000250995089 334354355 /nfs/dbraw/zinc/35/43/55/334354355.db2.gz FGSPNSLWHIYEDR-PVAVHDDUSA-N 0 1 287.403 3.521 20 0 CHADMN Cc1cccc(C)c1C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000250995086 334354360 /nfs/dbraw/zinc/35/43/60/334354360.db2.gz FGSPNSLWHIYEDR-OIISXLGYSA-N 0 1 287.403 3.521 20 0 CHADMN C[C@@H]1CCC[C@H](NCc2noc(-c3cccs3)n2)[C@H]1C ZINC000552979756 334354431 /nfs/dbraw/zinc/35/44/31/334354431.db2.gz XZMIZTZECHOLGS-WOPDTQHZSA-N 0 1 291.420 3.712 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000572533198 334354770 /nfs/dbraw/zinc/35/47/70/334354770.db2.gz XESNJHVAVCRHHC-CQSZACIVSA-N 0 1 293.432 3.991 20 0 CHADMN COC[C@@H]1CN([C@H](C)c2ccc3ccccc3c2)C[C@H](C)O1 ZINC000251779910 334369479 /nfs/dbraw/zinc/36/94/79/334369479.db2.gz LHUCSMFFNLGFDQ-KHYOSLBOSA-N 0 1 299.414 3.637 20 0 CHADMN CC(C)CN(C(=O)c1cccc2nc[nH]c21)c1ccccc1 ZINC000553417802 334383306 /nfs/dbraw/zinc/38/33/06/334383306.db2.gz WNWSOPDVTMFERW-UHFFFAOYSA-N 0 1 293.370 3.866 20 0 CHADMN Cc1ccc([O-])c(C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)n1 ZINC000252672672 334384867 /nfs/dbraw/zinc/38/48/67/334384867.db2.gz BZTUZWNYLJREDK-AEGPPILISA-N 0 1 276.424 3.646 20 0 CHADMN CCC[C@@H]1C[C@H]1N[C@H](COC)c1cccc(Cl)c1F ZINC000554373947 334426089 /nfs/dbraw/zinc/42/60/89/334426089.db2.gz KYSNFYITAJHHAZ-LERXQTSPSA-N 0 1 285.790 3.945 20 0 CHADMN C[C@H](N[C@@H]1CCC1(C)C)c1nc(-c2cccs2)no1 ZINC000554404784 334428772 /nfs/dbraw/zinc/42/87/72/334428772.db2.gz IWIVYPVLVYJXEC-GXSJLCMTSA-N 0 1 277.393 3.637 20 0 CHADMN CC(C)c1ccc(OCCN[C@H](C)c2nccs2)cc1 ZINC000093402113 334463752 /nfs/dbraw/zinc/46/37/52/334463752.db2.gz CZNDVLJXVHAACV-CYBMUJFWSA-N 0 1 290.432 3.996 20 0 CHADMN CCCn1ccc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)c1 ZINC000555396719 334476972 /nfs/dbraw/zinc/47/69/72/334476972.db2.gz FXIAXQGHNCLYHO-XJKSGUPXSA-N 0 1 272.392 3.904 20 0 CHADMN F[C@H]1CCC[C@H]1N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000556259758 334504673 /nfs/dbraw/zinc/50/46/73/334504673.db2.gz LGDFJEJQETWCPZ-ZNMIVQPWSA-N 0 1 275.367 3.913 20 0 CHADMN CCCCc1nc(CN2C[C@@H]3CCC[C@H]3C2)cs1 ZINC000153117219 334558361 /nfs/dbraw/zinc/55/83/61/334558361.db2.gz RWLVSCDUKHUNKL-STQMWFEESA-N 0 1 264.438 3.718 20 0 CHADMN CCc1noc([C@@H](C)N2CCC(C)(c3ccccc3)CC2)n1 ZINC000153655369 334675930 /nfs/dbraw/zinc/67/59/30/334675930.db2.gz VOVHRUHOPVBBFV-CQSZACIVSA-N 0 1 299.418 3.747 20 0 CHADMN CCOc1cccc([C@H](C)NCc2c(C)noc2C)c1 ZINC000153937324 334683591 /nfs/dbraw/zinc/68/35/91/334683591.db2.gz NAOZRDNFGGTLNV-NSHDSACASA-N 0 1 274.364 3.541 20 0 CHADMN CCCC[C@@H]1CCC[C@@H]1NCc1nccc(C(F)F)n1 ZINC000567134175 334684079 /nfs/dbraw/zinc/68/40/79/334684079.db2.gz DDFGBXSZXGUIRJ-NEPJUHHUSA-N 0 1 283.366 3.863 20 0 CHADMN Cc1nc(C(C)C)sc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000567587536 334737623 /nfs/dbraw/zinc/73/76/23/334737623.db2.gz QANFJXUGOIFHBA-JTQLQIEISA-N 0 1 294.424 3.671 20 0 CHADMN Nc1ccc2c(c1)CC[C@@H]2NCc1cc(Cl)ccc1F ZINC000567627294 334742027 /nfs/dbraw/zinc/74/20/27/334742027.db2.gz LOFZNWYTNXSNOV-INIZCTEOSA-N 0 1 290.769 3.838 20 0 CHADMN CCn1cnnc1CN[C@H](c1ccccc1)C1CCCCC1 ZINC000273103206 334760873 /nfs/dbraw/zinc/76/08/73/334760873.db2.gz UZXJGOCZFDLZIR-GOSISDBHSA-N 0 1 298.434 3.709 20 0 CHADMN C[C@@H]1C[C@@H](Nc2ccc(F)cn2)CC[N@H+]1Cc1ccccc1 ZINC000342562080 335183078 /nfs/dbraw/zinc/18/30/78/335183078.db2.gz HKXQGQHNYRDQFQ-PBHICJAKSA-N 0 1 299.393 3.686 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@H](c2ccncc2)C1 ZINC000576300852 335186609 /nfs/dbraw/zinc/18/66/09/335186609.db2.gz MGQPIEYSVIOFPV-OCCSQVGLSA-N 0 1 288.341 3.910 20 0 CHADMN CCc1nocc1CNCCOc1cccc2ccccc21 ZINC000576602208 335225533 /nfs/dbraw/zinc/22/55/33/335225533.db2.gz ZQTMPBBFVPWRNE-UHFFFAOYSA-N 0 1 296.370 3.559 20 0 CHADMN Clc1ccc(CNC[C@H]2CSc3ccccc3O2)o1 ZINC000576874187 335258427 /nfs/dbraw/zinc/25/84/27/335258427.db2.gz JLMIILKUVQMFQS-NSHDSACASA-N 0 1 295.791 3.576 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCCCC(=O)[O-] ZINC000576949577 335268549 /nfs/dbraw/zinc/26/85/49/335268549.db2.gz PALKDWUHVKXHCM-LLVKDONJSA-N 0 1 285.334 3.603 20 0 CHADMN Cc1noc([C@H](C)N(C)[C@H](C)CCc2cccc(F)c2)n1 ZINC000580571080 335285272 /nfs/dbraw/zinc/28/52/72/335285272.db2.gz XAGWNXYSPJKVON-NEPJUHHUSA-N 0 1 291.370 3.531 20 0 CHADMN COc1cccc([C@H](C)N2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000577052663 335290544 /nfs/dbraw/zinc/29/05/44/335290544.db2.gz AONDRNTTZWTDFA-XJKSGUPXSA-N 0 1 277.408 3.503 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N1CCC2(CCO2)CC1 ZINC000577161454 335312558 /nfs/dbraw/zinc/31/25/58/335312558.db2.gz VDEKHYCHIRONOW-NSHDSACASA-N 0 1 283.774 3.795 20 0 CHADMN CC(C)[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1ccccc1 ZINC000345344987 335316519 /nfs/dbraw/zinc/31/65/19/335316519.db2.gz BGFLPIILBRWPRO-BPUTZDHNSA-N 0 1 269.392 3.876 20 0 CHADMN CC[C@@H](Cc1ccccc1)c1nc(C2(N)CCCC2)no1 ZINC000577177164 335316588 /nfs/dbraw/zinc/31/65/88/335316588.db2.gz IJPLQZWLRMBPLO-AWEZNQCLSA-N 0 1 285.391 3.534 20 0 CHADMN Cc1noc([C@H](C)N(C)C[C@H](C)c2cccc(Cl)c2)n1 ZINC000577228616 335326558 /nfs/dbraw/zinc/32/65/58/335326558.db2.gz FQSPMKNURLBSDR-QWRGUYRKSA-N 0 1 293.798 3.828 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1CCC(F)(F)[C@H](C)C1 ZINC000577326602 335338625 /nfs/dbraw/zinc/33/86/25/335338625.db2.gz PJFOCSYPJLOEAW-MNOVXSKESA-N 0 1 257.299 3.864 20 0 CHADMN Clc1cc2c(s1)CCN(CC[C@@H]1CCCCO1)C2 ZINC000577391368 335347242 /nfs/dbraw/zinc/34/72/42/335347242.db2.gz SRIDWQOEHPMRKJ-LBPRGKRZSA-N 0 1 285.840 3.719 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(C)cc1Cl ZINC000577497877 335359609 /nfs/dbraw/zinc/35/96/09/335359609.db2.gz AXAPNWGYKRMBFE-LLVKDONJSA-N 0 1 277.799 3.541 20 0 CHADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CCC2(C1)CCCCC2 ZINC000577499603 335359982 /nfs/dbraw/zinc/35/99/82/335359982.db2.gz CTPKLSIUFYBUAR-MRXNPFEDSA-N 0 1 287.403 3.777 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)s2)C[C@H]1C(=O)[O-] ZINC000577633650 335383485 /nfs/dbraw/zinc/38/34/85/335383485.db2.gz RQZYDHIGHUQCHA-WCQYABFASA-N 0 1 295.448 3.588 20 0 CHADMN CC(C)c1nc([C@H](C)NCc2cccc3ccoc32)n[nH]1 ZINC000577696184 335389760 /nfs/dbraw/zinc/38/97/60/335389760.db2.gz LNECISQKRSEGEP-NSHDSACASA-N 0 1 284.363 3.525 20 0 CHADMN Cc1nnsc1CN(C)C1CCC(C(C)(C)C)CC1 ZINC000577757219 335397997 /nfs/dbraw/zinc/39/79/97/335397997.db2.gz QDXBYEOXDALJAX-UHFFFAOYSA-N 0 1 281.469 3.883 20 0 CHADMN C[C@@H](NCc1ccc(OC2CCCC2)nc1)c1ccoc1 ZINC000178175561 335421002 /nfs/dbraw/zinc/42/10/02/335421002.db2.gz HAJJVZMADMLAPC-CYBMUJFWSA-N 0 1 286.375 3.847 20 0 CHADMN CC(C)(CCN[C@H](c1ncc[nH]1)c1ccccc1)C1CC1 ZINC000578148572 335529623 /nfs/dbraw/zinc/52/96/23/335529623.db2.gz OJWOIISQZPTLAE-INIZCTEOSA-N 0 1 283.419 3.915 20 0 CHADMN COC(=O)CC[C@H](N[C@H](C)c1ccoc1)c1ccccc1 ZINC000180671142 335616341 /nfs/dbraw/zinc/61/63/41/335616341.db2.gz QPWHNESBZAVCRF-CJNGLKHVSA-N 0 1 287.359 3.625 20 0 CHADMN CO[C@@H]1[C@H](C)[C@@H](N[C@@H](C)c2ncc(C(C)(C)C)o2)C1(C)C ZINC000579021067 335701489 /nfs/dbraw/zinc/70/14/89/335701489.db2.gz URFOFIYELHJCFD-ZMJPVWNMSA-N 0 1 294.439 3.682 20 0 CHADMN CC(C)(C)CN(Cc1nc(C2CC2)no1)CC(C)(C)C ZINC000182080511 335797923 /nfs/dbraw/zinc/79/79/23/335797923.db2.gz TVVBNYUWTCKHGJ-UHFFFAOYSA-N 0 1 279.428 3.841 20 0 CHADMN CCCc1ccc([C@H](NCc2ccn(C)n2)C(C)C)cc1 ZINC000579819499 335892813 /nfs/dbraw/zinc/89/28/13/335892813.db2.gz KCWABIPVUVUZLM-GOSISDBHSA-N 0 1 285.435 3.860 20 0 CHADMN CCCc1ccc([C@@H](NCc2ccn(C)n2)C(C)C)cc1 ZINC000579819500 335892924 /nfs/dbraw/zinc/89/29/24/335892924.db2.gz KCWABIPVUVUZLM-SFHVURJKSA-N 0 1 285.435 3.860 20 0 CHADMN CC[C@@H]1CC[C@H]1N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000581217919 336026015 /nfs/dbraw/zinc/02/60/15/336026015.db2.gz NMNSQOIYMNEQKG-JTNHKYCSSA-N 0 1 289.354 3.715 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccc(C)c(F)c2)nc1 ZINC000380937569 336039925 /nfs/dbraw/zinc/03/99/25/336039925.db2.gz XFIRENPBHJGHGS-CYBMUJFWSA-N 0 1 272.367 3.942 20 0 CHADMN CCC[C@@H](CN[C@@H](c1ccco1)c1ccccc1)OC ZINC000381239997 336056360 /nfs/dbraw/zinc/05/63/60/336056360.db2.gz RSELIIBYKCDTAA-DOTOQJQBSA-N 0 1 273.376 3.774 20 0 CHADMN FC(F)(F)C1CN([C@@H]2CCCc3ccccc32)C1 ZINC000581351226 336057441 /nfs/dbraw/zinc/05/74/41/336057441.db2.gz ITERMUNRVJXCLT-CYBMUJFWSA-N 0 1 255.283 3.558 20 0 CHADMN CCC[C@](C)(CO)NCc1csc(Cl)c1Cl ZINC000381398200 336061613 /nfs/dbraw/zinc/06/16/13/336061613.db2.gz ARWWPYSRDDKKJV-LLVKDONJSA-N 0 1 282.236 3.696 20 0 CHADMN CCC[C@@](C)(CO)NCc1csc(Cl)c1Cl ZINC000381398202 336061690 /nfs/dbraw/zinc/06/16/90/336061690.db2.gz ARWWPYSRDDKKJV-NSHDSACASA-N 0 1 282.236 3.696 20 0 CHADMN C[C@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2Cl)CC[C@@H]1C ZINC000381515849 336067195 /nfs/dbraw/zinc/06/71/95/336067195.db2.gz LRERSGIEQLFZOY-QWRGUYRKSA-N 0 1 281.783 3.516 20 0 CHADMN COC(=O)c1cccc(CN2C[C@@H](C)CC[C@@H]2C)c1Cl ZINC000381741797 336072069 /nfs/dbraw/zinc/07/20/69/336072069.db2.gz URTWVGIGJZWUFI-RYUDHWBXSA-N 0 1 295.810 3.747 20 0 CHADMN CCCc1csc(CNc2ccc3nc[nH]c3c2)n1 ZINC000581419484 336074193 /nfs/dbraw/zinc/07/41/93/336074193.db2.gz HWTZSUJIIFLDBJ-UHFFFAOYSA-N 0 1 272.377 3.584 20 0 CHADMN C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+]1CC[C@@](C)(O)C1 ZINC000581515140 336092519 /nfs/dbraw/zinc/09/25/19/336092519.db2.gz BQOHWQQLMYOKFZ-LDCOFTPGSA-N 0 1 299.336 3.565 20 0 CHADMN Cc1ccc(C)c(CN[C@@H]2c3ccccc3O[C@@H]2C)c1 ZINC000581570797 336104610 /nfs/dbraw/zinc/10/46/10/336104610.db2.gz KYNDKQAABSPIRB-KDOFPFPSSA-N 0 1 267.372 3.915 20 0 CHADMN Cc1ccsc1C[N@H+](C)Cc1ccc(F)cc1C(=O)[O-] ZINC000383784148 336117970 /nfs/dbraw/zinc/11/79/70/336117970.db2.gz XWIAFBWGWYMYLX-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccc2c(n1)CCC2 ZINC000581652973 336118148 /nfs/dbraw/zinc/11/81/48/336118148.db2.gz NRCUEDVCGPAJHL-YPMHNXCESA-N 0 1 298.352 3.733 20 0 CHADMN Cc1nnsc1CN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000384274048 336123088 /nfs/dbraw/zinc/12/30/88/336123088.db2.gz SDYATPZRWQGIPQ-NSHDSACASA-N 0 1 275.421 3.821 20 0 CHADMN CCc1cccc(OCCn2c(C)nc3c2CCCC3)c1 ZINC000581704771 336131481 /nfs/dbraw/zinc/13/14/81/336131481.db2.gz KAJLWXFNTVLWPL-UHFFFAOYSA-N 0 1 284.403 3.712 20 0 CHADMN CCC[C@]1(NCc2c(F)cccc2Cl)CCOC1 ZINC000386028532 336164818 /nfs/dbraw/zinc/16/48/18/336164818.db2.gz YZEYRXJRISTKIB-AWEZNQCLSA-N 0 1 271.763 3.528 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000581949243 336175070 /nfs/dbraw/zinc/17/50/70/336175070.db2.gz UQXHWDFDWZSZDZ-UKRRQHHQSA-N 0 1 299.370 3.746 20 0 CHADMN Cc1nc(CN[C@@H](c2ccccc2)C(C)(C)C)[nH]c1C ZINC000581954705 336179115 /nfs/dbraw/zinc/17/91/15/336179115.db2.gz HRTMBLFNSPEIDL-INIZCTEOSA-N 0 1 271.408 3.904 20 0 CHADMN c1sc(-c2ccccn2)nc1CN[C@@H]1CC12CCCC2 ZINC000386894088 336182019 /nfs/dbraw/zinc/18/20/19/336182019.db2.gz AQAREXZETILYQI-CQSZACIVSA-N 0 1 285.416 3.627 20 0 CHADMN CC[C@@H](C)[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)[O-])cn1 ZINC000387177139 336187045 /nfs/dbraw/zinc/18/70/45/336187045.db2.gz COTYLUIQQGJHBP-CQSZACIVSA-N 0 1 298.386 3.581 20 0 CHADMN COc1cccc(Cl)c1CN[C@@H]1CC12CCCC2 ZINC000387189552 336187595 /nfs/dbraw/zinc/18/75/95/336187595.db2.gz WEMGYKHEWWRKGJ-CQSZACIVSA-N 0 1 265.784 3.771 20 0 CHADMN CCC[C@H](N[C@H](C)c1n[nH]c(CC)n1)c1ccsc1 ZINC000276894731 521174314 /nfs/dbraw/zinc/17/43/14/521174314.db2.gz IFXKZHJZTBONKW-PWSUYJOCSA-N 0 1 278.425 3.621 20 0 CHADMN CCSc1cccc(CNCc2conc2CC)c1 ZINC000339405318 521760983 /nfs/dbraw/zinc/76/09/83/521760983.db2.gz AVNIIDIPFMVQKP-UHFFFAOYSA-N 0 1 276.405 3.639 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)cn1 ZINC000336227806 533940385 /nfs/dbraw/zinc/94/03/85/533940385.db2.gz AKGOEBCJLNTRQD-WCQYABFASA-N 0 1 272.314 3.553 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C)[C@H]2c2cccc(F)c2)nn1 ZINC000334859649 533942618 /nfs/dbraw/zinc/94/26/18/533942618.db2.gz LRZUCIOXCJBGJH-PXAZEXFGSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1ccc(CN2CC[C@@H](c3c(F)cccc3F)C2)cn1 ZINC000347733878 533950044 /nfs/dbraw/zinc/95/00/44/533950044.db2.gz MXCGYJLHFRCPSO-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN CS[C@@H]1CC[C@@H]1N[C@H](c1ccccc1)c1ccccn1 ZINC000352781275 533993626 /nfs/dbraw/zinc/99/36/26/533993626.db2.gz AQOBJFXXPFQWEA-USXIJHARSA-N 0 1 284.428 3.655 20 0 CHADMN COc1ccccc1C1(CNc2cc(C)ccn2)CC1 ZINC000347740885 534002571 /nfs/dbraw/zinc/00/25/71/534002571.db2.gz PRCPMDIREMMGEW-UHFFFAOYSA-N 0 1 268.360 3.542 20 0 CHADMN CS[C@@H]1CC[C@H]1NCc1coc(-c2ccc(C)cc2)n1 ZINC000344957953 534002964 /nfs/dbraw/zinc/00/29/64/534002964.db2.gz TUIXFMSFYWFYBR-HUUCEWRRSA-N 0 1 288.416 3.634 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCCC34CCC4)n[nH]2)cc1 ZINC000347427499 534167825 /nfs/dbraw/zinc/16/78/25/534167825.db2.gz IYTZUJCVYPYPGS-UHFFFAOYSA-N 0 1 295.386 3.544 20 0 CHADMN CSc1ccc(C(=O)Nc2c(C)n[nH]c2C(F)F)cc1 ZINC000355868088 534188667 /nfs/dbraw/zinc/18/86/67/534188667.db2.gz XEXXLFPURSJPBZ-UHFFFAOYSA-N 0 1 297.330 3.630 20 0 CHADMN C[C@@H](Cc1ccncc1)NCc1csc(C(C)(C)C)n1 ZINC000344772480 534258384 /nfs/dbraw/zinc/25/83/84/534258384.db2.gz KZXBQGYLSBQJDU-LBPRGKRZSA-N 0 1 289.448 3.556 20 0 CHADMN Cc1noc(C)c1CN1CC(c2ccc(Cl)cc2)C1 ZINC000334617686 534353246 /nfs/dbraw/zinc/35/32/46/534353246.db2.gz DLALENMPUNSAOW-UHFFFAOYSA-N 0 1 276.767 3.544 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cc2ncnn2-c2ccccc2)C1 ZINC000337221232 518975276 /nfs/dbraw/zinc/97/52/76/518975276.db2.gz CIYXNJUJWGAXLY-HNNXBMFYSA-N 0 1 298.434 3.525 20 0 CHADMN COC(=O)c1sccc1CN1CCC(C)(C2CC2)CC1 ZINC000352176521 534405649 /nfs/dbraw/zinc/40/56/49/534405649.db2.gz PZMJRGHZPUCKLZ-UHFFFAOYSA-N 0 1 293.432 3.547 20 0 CHADMN CC(C)(C)n1cc(CNc2ccc3cnccc3c2)cn1 ZINC000296583928 519160507 /nfs/dbraw/zinc/16/05/07/519160507.db2.gz PVJVLYOMGXCPEN-UHFFFAOYSA-N 0 1 280.375 3.798 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2ccc3sccc3c2)n1 ZINC000339397866 519227745 /nfs/dbraw/zinc/22/77/45/519227745.db2.gz SZODURUXRXZFRK-GFCCVEGCSA-N 0 1 287.388 3.997 20 0 CHADMN C=Cn1cc(CN[C@H](C)c2ccccc2SC)cn1 ZINC000282052173 519326908 /nfs/dbraw/zinc/32/69/08/519326908.db2.gz PLYBSDLWTSAWAE-GFCCVEGCSA-N 0 1 273.405 3.556 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cc3c(s2)CCCC3)n1 ZINC000339385012 519369707 /nfs/dbraw/zinc/36/97/07/519369707.db2.gz KBGOQQIKVOPULC-NSHDSACASA-N 0 1 291.420 3.723 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2ccc3sccc3c2)n1 ZINC000339397867 519372066 /nfs/dbraw/zinc/37/20/66/519372066.db2.gz SZODURUXRXZFRK-LBPRGKRZSA-N 0 1 287.388 3.997 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H](C)CC2CCCC2)n1 ZINC000339391185 519377647 /nfs/dbraw/zinc/37/76/47/519377647.db2.gz XLBJQCLDXCCZNI-AAEUAGOBSA-N 0 1 265.401 3.799 20 0 CHADMN CC(C)C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263571266 519408479 /nfs/dbraw/zinc/40/84/79/519408479.db2.gz JEAANPTXPSMXLT-OAHLLOKOSA-N 0 1 275.392 3.643 20 0 CHADMN CC(C)N(C(=O)CN[C@H](C)c1ccc(Cl)cc1)C(C)C ZINC000067131856 519557859 /nfs/dbraw/zinc/55/78/59/519557859.db2.gz YZESRKHHDNSUPB-CYBMUJFWSA-N 0 1 296.842 3.636 20 0 CHADMN CC(C)CCCNCc1nc(C(F)(F)F)cs1 ZINC000275645875 519642000 /nfs/dbraw/zinc/64/20/00/519642000.db2.gz BWRSVGDRVZBNFP-UHFFFAOYSA-N 0 1 266.332 3.688 20 0 CHADMN CC(C)CCCN[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000276202990 519642260 /nfs/dbraw/zinc/64/22/60/519642260.db2.gz KJHIYHQNRPCYHU-INIZCTEOSA-N 0 1 289.398 3.674 20 0 CHADMN CC(C)N(Cc1cccs1)C(=O)c1cccc2n[nH]cc21 ZINC000299145898 519661870 /nfs/dbraw/zinc/66/18/70/519661870.db2.gz JLAICZWQZYQEHJ-UHFFFAOYSA-N 0 1 299.399 3.675 20 0 CHADMN CC(C)CN(C(=O)c1cc(C(C)C)[nH]n1)C1CCCC1 ZINC000299379841 519707124 /nfs/dbraw/zinc/70/71/24/519707124.db2.gz NHPLIMFMPOIVJK-UHFFFAOYSA-N 0 1 277.412 3.574 20 0 CHADMN CC(C)OCCN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000067128544 519765824 /nfs/dbraw/zinc/76/58/24/519765824.db2.gz DRLWHRTUEWCXNL-CQSZACIVSA-N 0 1 290.432 3.858 20 0 CHADMN CC(C)O[C@@H](CN1CCC[C@H]1c1cc[nH]n1)c1ccccc1 ZINC000292881896 519776688 /nfs/dbraw/zinc/77/66/88/519776688.db2.gz PSAVNXXKPWASDA-ROUUACIJSA-N 0 1 299.418 3.713 20 0 CHADMN CC(C)[C@@H](NCc1ncc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000130317501 519799338 /nfs/dbraw/zinc/79/93/38/519799338.db2.gz KWYQGWORDDEXQY-CQSZACIVSA-N 0 1 297.324 3.915 20 0 CHADMN CC(C)[C@@H]1CN([C@H](C)c2nc3ccccc3o2)CCCO1 ZINC000293098573 519804634 /nfs/dbraw/zinc/80/46/34/519804634.db2.gz KWANWZJYIACMEQ-CJNGLKHVSA-N 0 1 288.391 3.636 20 0 CHADMN CC(C)[C@@H]1C[C@H](N[C@@H](C)c2c(F)cncc2F)CS1 ZINC000289542584 519805925 /nfs/dbraw/zinc/80/59/25/519805925.db2.gz IDAAVNZOKRXSDR-KWBADKCTSA-N 0 1 286.391 3.541 20 0 CHADMN CC(C)c1cnc(CN[C@@H]2CCC[C@@H]2OC(F)F)s1 ZINC000337285789 519850719 /nfs/dbraw/zinc/85/07/19/519850719.db2.gz KFWJJRJKQNJPCH-ZJUUUORDSA-N 0 1 290.379 3.516 20 0 CHADMN CC(C)c1nc(CN[C@@H]2CCC[C@@H]2OC(F)F)cs1 ZINC000337289107 519864271 /nfs/dbraw/zinc/86/42/71/519864271.db2.gz LRSVASFYLRXUFQ-MNOVXSKESA-N 0 1 290.379 3.516 20 0 CHADMN CC(C)c1nc([C@@H](C)NCc2cc(F)cc(Cl)c2)n[nH]1 ZINC000275013159 519865863 /nfs/dbraw/zinc/86/58/63/519865863.db2.gz RAGWOBPDMMRXAA-SECBINFHSA-N 0 1 296.777 3.571 20 0 CHADMN CC(C)c1nc(CN[C@@H]2CC[C@@H](C)c3ccccc32)n[nH]1 ZINC000296399785 519887964 /nfs/dbraw/zinc/88/79/64/519887964.db2.gz KLNGEZPDJDBZQT-IUODEOHRSA-N 0 1 284.407 3.656 20 0 CHADMN CC(C)c1noc(CN[C@H]2CCC[C@H]2c2ccccc2)n1 ZINC000275557228 519905021 /nfs/dbraw/zinc/90/50/21/519905021.db2.gz DCKAWEPLGAJSDY-GJZGRUSLSA-N 0 1 285.391 3.619 20 0 CHADMN CC(C)n1cc(CN[C@H]2CCCc3ccc(F)cc32)cn1 ZINC000279938417 519960388 /nfs/dbraw/zinc/96/03/88/519960388.db2.gz YPVNDUMKOIZDDF-KRWDZBQOSA-N 0 1 287.382 3.770 20 0 CHADMN CCCN[C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000126028066 520020694 /nfs/dbraw/zinc/02/06/94/520020694.db2.gz ZQXATZBSBSKUHA-QGZVFWFLSA-N 0 1 279.387 3.662 20 0 CHADMN CC(C)n1ccnc1CN1CCC[C@@H](Cc2ccccc2)C1 ZINC000337215840 520027686 /nfs/dbraw/zinc/02/76/86/520027686.db2.gz HDWJXBYOUNXEAL-SFHVURJKSA-N 0 1 297.446 3.919 20 0 CHADMN CCN(C(=O)c1cnc(C)[nH]1)[C@H](C)c1cc2ccccc2o1 ZINC000264910382 520059061 /nfs/dbraw/zinc/05/90/61/520059061.db2.gz ZFDAOOZJXCSZAG-LLVKDONJSA-N 0 1 297.358 3.688 20 0 CHADMN CCCNc1ccc(CNCc2ccnn2C(C)C)cc1 ZINC000279923728 520159545 /nfs/dbraw/zinc/15/95/45/520159545.db2.gz UULAUYGBVJCYMB-UHFFFAOYSA-N 0 1 286.423 3.576 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1ncnn1-c1ccccc1 ZINC000337158849 520294708 /nfs/dbraw/zinc/29/47/08/520294708.db2.gz RHAXMRJIFSMKHW-MRXNPFEDSA-N 0 1 298.434 3.812 20 0 CHADMN Cc1ccsc1[C@@H](C)N[C@H](c1nccn1C)C1CC1 ZINC000353865000 534481969 /nfs/dbraw/zinc/48/19/69/534481969.db2.gz HWMNIMPQTSUNOI-YPMHNXCESA-N 0 1 275.421 3.592 20 0 CHADMN CCO[C@@H](CN[C@H](C)c1ccncc1F)c1ccccc1 ZINC000340509929 520312860 /nfs/dbraw/zinc/31/28/60/520312860.db2.gz SWUCDEMIEFUBMA-DYVFJYSZSA-N 0 1 288.366 3.649 20 0 CHADMN CCO[C@@H](CN[C@H](C)c1csc(C)n1)c1ccccc1 ZINC000278188422 520312962 /nfs/dbraw/zinc/31/29/62/520312962.db2.gz BWLYXDYSFHMIQM-WBMJQRKESA-N 0 1 290.432 3.880 20 0 CHADMN CCCCN(C(=O)c1cnc(C)[nH]1)[C@@H](C)c1ccccc1 ZINC000339237330 520363418 /nfs/dbraw/zinc/36/34/18/520363418.db2.gz XOYVEHJIQIGUOE-ZDUSSCGKSA-N 0 1 285.391 3.722 20 0 CHADMN Fc1ccc(Oc2ccnc(CNCc3cc[nH]c3)c2)cc1 ZINC000344409645 534487551 /nfs/dbraw/zinc/48/75/51/534487551.db2.gz OVAMXYVVIOZFAF-UHFFFAOYSA-N 0 1 297.333 3.631 20 0 CHADMN CCO[C@@H]1C[C@@H](Nc2ccc3cnccc3c2)[C@H]1SC ZINC000297339150 520376478 /nfs/dbraw/zinc/37/64/78/520376478.db2.gz FACOHWCIQOPCAV-BZUAXINKSA-N 0 1 288.416 3.556 20 0 CHADMN CC1(C)CCc2ccccc2[C@@H](NCc2cc[nH]n2)C1 ZINC000280907206 520413185 /nfs/dbraw/zinc/41/31/85/520413185.db2.gz RSUYIWOLWHKLOT-INIZCTEOSA-N 0 1 269.392 3.603 20 0 CHADMN Cc1ccc2nc(CNCc3ccc([C@@H]4C[C@H]4C)o3)[nH]c2c1 ZINC000344741633 534503499 /nfs/dbraw/zinc/50/34/99/534503499.db2.gz ODCGESCQLDXGMK-TZMCWYRMSA-N 0 1 295.386 3.878 20 0 CHADMN CC1(C)OCC[C@@H]1NCc1csc(-c2cccs2)n1 ZINC000294744652 520611300 /nfs/dbraw/zinc/61/13/00/520611300.db2.gz HNXMTDMFUZVEAX-LBPRGKRZSA-N 0 1 294.445 3.529 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccc3cc[nH]c3n1)CCC2 ZINC000353623631 534505294 /nfs/dbraw/zinc/50/52/94/534505294.db2.gz OPHMDARWFFILIF-QGZVFWFLSA-N 0 1 295.361 3.869 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C[C@H]3C[C@@H]3C)[nH]c2c1 ZINC000353775462 534507686 /nfs/dbraw/zinc/50/76/86/534507686.db2.gz SROCJMYOZKAPJQ-ZENOOKHLSA-N 0 1 297.402 3.581 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263582635 520673647 /nfs/dbraw/zinc/67/36/47/520673647.db2.gz YVSSFIAAHKIWSD-CZUORRHYSA-N 0 1 275.392 3.785 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000338552168 520674055 /nfs/dbraw/zinc/67/40/55/520674055.db2.gz OOKOGIXRNJRZRN-MLGOLLRUSA-N 0 1 299.418 3.912 20 0 CHADMN CCC[C@@H](NCc1ccc(OC)cn1)c1ccccc1 ZINC000271973291 520779017 /nfs/dbraw/zinc/77/90/17/520779017.db2.gz CNVWXXSCTFWMCA-QGZVFWFLSA-N 0 1 270.376 3.721 20 0 CHADMN CCCCOCCN[C@H](c1ccccc1)c1ccccn1 ZINC000040506199 520785716 /nfs/dbraw/zinc/78/57/16/520785716.db2.gz DHOLTBUWYIJAON-GOSISDBHSA-N 0 1 284.403 3.577 20 0 CHADMN CCCC[C@@H](C)N(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000291259848 521000865 /nfs/dbraw/zinc/00/08/65/521000865.db2.gz NEZXMHPUQRJFEN-CYBMUJFWSA-N 0 1 285.391 3.727 20 0 CHADMN Fc1ccccc1[C@@H](F)C1CCN(Cc2ccno2)CC1 ZINC000367150004 534532315 /nfs/dbraw/zinc/53/23/15/534532315.db2.gz ARVLAIABOPRPHP-INIZCTEOSA-N 0 1 292.329 3.737 20 0 CHADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263558754 521259919 /nfs/dbraw/zinc/25/99/19/521259919.db2.gz AKYVQXOXXVDQRT-BBRMVZONSA-N 0 1 275.392 3.785 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1Cc1ncnn1-c1ccccc1 ZINC000337198092 521260243 /nfs/dbraw/zinc/26/02/43/521260243.db2.gz ZHOWWBGMXDWCMH-RDJZCZTQSA-N 0 1 298.434 3.668 20 0 CHADMN CCN(Cc1cc2cc(OC)ccc2o1)Cc1ccncc1 ZINC000289921569 521295954 /nfs/dbraw/zinc/29/59/54/521295954.db2.gz VTNVRVODJQYINM-UHFFFAOYSA-N 0 1 296.370 3.859 20 0 CHADMN CCOc1cccc(CNCc2coc3ccccc23)n1 ZINC000339411896 521367873 /nfs/dbraw/zinc/36/78/73/521367873.db2.gz BHHBCLWBIJZERD-UHFFFAOYSA-N 0 1 282.343 3.516 20 0 CHADMN CCN(Cc1nnc(-c2ccccc2Cl)o1)CC1CC1 ZINC000070014164 521461008 /nfs/dbraw/zinc/46/10/08/521461008.db2.gz SBTXNZATNSULHK-UHFFFAOYSA-N 0 1 291.782 3.622 20 0 CHADMN CCOc1ccccc1CN[C@H]1CCCc2c(O)cccc21 ZINC000276692848 521504677 /nfs/dbraw/zinc/50/46/77/521504677.db2.gz AJXUOUZSQLNDQZ-KRWDZBQOSA-N 0 1 297.398 3.958 20 0 CHADMN CCCc1nc(CN2CCC(C)(C)CC2)cs1 ZINC000339295248 521506828 /nfs/dbraw/zinc/50/68/28/521506828.db2.gz JNJHBNAGOAWTLB-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@@H](C)c1cnn(CC)c1 ZINC000269064518 521584026 /nfs/dbraw/zinc/58/40/26/521584026.db2.gz YIYXGUVNYYZMBC-KBPBESRZSA-N 0 1 287.407 3.714 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1cncc(C)c1 ZINC000271573544 521584099 /nfs/dbraw/zinc/58/40/99/521584099.db2.gz VYZLSSMUBXFSCG-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN CCOC(=O)c1coc(CN[C@@H](C)c2ccc(C)cc2)c1 ZINC000354197988 521585305 /nfs/dbraw/zinc/58/53/05/521585305.db2.gz BXJUSHPQADRNHV-ZDUSSCGKSA-N 0 1 287.359 3.616 20 0 CHADMN CCCN(CC)Cc1ncc(-c2cccc(F)c2)o1 ZINC000363354959 521615047 /nfs/dbraw/zinc/61/50/47/521615047.db2.gz GEGKSESDKVUAFY-UHFFFAOYSA-N 0 1 262.328 3.713 20 0 CHADMN CCCn1cc(CNCc2ccc(C(C)(F)F)cc2)cn1 ZINC000339419204 521653275 /nfs/dbraw/zinc/65/32/75/521653275.db2.gz GXPUKUFWKMWYCO-UHFFFAOYSA-N 0 1 293.361 3.695 20 0 CHADMN CCCn1nc(C)c(CN2CCC[C@@H]2c2ccc[nH]2)c1C ZINC000127431137 521668707 /nfs/dbraw/zinc/66/87/07/521668707.db2.gz LOIXPCMWOPWQRA-QGZVFWFLSA-N 0 1 286.423 3.575 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@H]2[C@H](C)CCC[C@@H]2C)n1 ZINC000245864254 521729573 /nfs/dbraw/zinc/72/95/73/521729573.db2.gz JLQGXXUSHGZDCX-CZXHOFHRSA-N 0 1 297.468 3.798 20 0 CHADMN CCS[C@H]1CC[C@H](N(C)Cc2ncc(C3CC3)o2)C1 ZINC000340689910 521733070 /nfs/dbraw/zinc/73/30/70/521733070.db2.gz BRNTUSSNVFHSCW-STQMWFEESA-N 0 1 280.437 3.658 20 0 CHADMN CCSc1cccc(CNCc2ccnn2C(C)C)c1 ZINC000291716862 521758121 /nfs/dbraw/zinc/75/81/21/521758121.db2.gz LZJOCMFQDYHDFB-UHFFFAOYSA-N 0 1 289.448 3.866 20 0 CHADMN COCC[C@@H](NCc1c(C)cccc1C)c1ccco1 ZINC000273225859 521858410 /nfs/dbraw/zinc/85/84/10/521858410.db2.gz DXYMTRDSYNVJDO-MRXNPFEDSA-N 0 1 273.376 3.764 20 0 CHADMN COCC[C@@H](N[C@H]1CCCc2occc21)c1ccc(C)o1 ZINC000278397526 521861245 /nfs/dbraw/zinc/86/12/45/521861245.db2.gz FHBVLAQYESHORQ-LSDHHAIUSA-N 0 1 289.375 3.926 20 0 CHADMN CCc1nc(C)c([C@H](C)N(C)Cc2ccncc2)s1 ZINC000130838213 522229680 /nfs/dbraw/zinc/22/96/80/522229680.db2.gz LSWLVDVDNALRCL-LBPRGKRZSA-N 0 1 275.421 3.602 20 0 CHADMN CN(C)c1cccc(CNCc2ccc(C3CCC3)cc2)n1 ZINC000293351450 522275374 /nfs/dbraw/zinc/27/53/74/522275374.db2.gz TWJHXRUGRBNJRO-UHFFFAOYSA-N 0 1 295.430 3.705 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000338576151 522332849 /nfs/dbraw/zinc/33/28/49/522332849.db2.gz VNWPWZDHVPLGOS-WBMJQRKESA-N 0 1 299.418 3.912 20 0 CHADMN COC(=O)c1coc([C@@H](C)N[C@@H]2CCCc3ccccc32)c1 ZINC000278242476 522374911 /nfs/dbraw/zinc/37/49/11/522374911.db2.gz LMSUAGWFSQVXCX-MLGOLLRUSA-N 0 1 299.370 3.794 20 0 CHADMN COC(=O)c1occc1CN1CCC[C@@H]1c1ccccc1C ZINC000339210916 522410395 /nfs/dbraw/zinc/41/03/95/522410395.db2.gz USFSMDJFOGVPGP-MRXNPFEDSA-N 0 1 299.370 3.712 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2cc(C)ccc2F)n[nH]1 ZINC000277392970 522438995 /nfs/dbraw/zinc/43/89/95/522438995.db2.gz JSZWICLOULLDNZ-NEPJUHHUSA-N 0 1 290.386 3.617 20 0 CHADMN CCc1nc2c(s1)[C@H](N(C)CCC(=O)C(C)C)CCC2 ZINC000290083300 522477971 /nfs/dbraw/zinc/47/79/71/522477971.db2.gz WSHUMAGJEQKZBZ-CYBMUJFWSA-N 0 1 294.464 3.630 20 0 CHADMN CC[C@@H](CN(CC)Cc1nnc(C)s1)c1ccccc1 ZINC000274925329 522529157 /nfs/dbraw/zinc/52/91/57/522529157.db2.gz VYAXORIGEDVGTG-AWEZNQCLSA-N 0 1 289.448 3.862 20 0 CHADMN COC[C@H](NCCC(C)(F)F)c1cccc(Cl)c1F ZINC000297241887 522735893 /nfs/dbraw/zinc/73/58/93/522735893.db2.gz IPDJAHMOHFHJKM-NSHDSACASA-N 0 1 295.732 3.802 20 0 CHADMN CCc1nnc(CNC[C@@H](C)c2cccc(Cl)c2)s1 ZINC000289926686 522739111 /nfs/dbraw/zinc/73/91/11/522739111.db2.gz VTUOHUOFEJLZAA-SNVBAGLBSA-N 0 1 295.839 3.647 20 0 CHADMN COC[C@H](N[C@H](C)c1ccncc1)c1cccc(Cl)c1 ZINC000290508421 522767104 /nfs/dbraw/zinc/76/71/04/522767104.db2.gz YLXMHXOGGPLCHF-WBMJQRKESA-N 0 1 290.794 3.773 20 0 CHADMN CCc1noc(C)c1CNCc1c(C)oc2ccccc21 ZINC000293117335 522842462 /nfs/dbraw/zinc/84/24/62/522842462.db2.gz YXFNAQKWIOKIAB-UHFFFAOYSA-N 0 1 284.359 3.890 20 0 CHADMN CC[C@H](OC1CCCCC1)c1nc([C@H](N)CC(C)C)no1 ZINC000339396789 522859357 /nfs/dbraw/zinc/85/93/57/522859357.db2.gz YWUIAJJZYYTTGS-KGLIPLIRSA-N 0 1 295.427 3.916 20 0 CHADMN CC[C@@H](NCc1cc(C)nc(C)n1)c1ccc(Cl)cc1 ZINC000340623951 522869602 /nfs/dbraw/zinc/86/96/02/522869602.db2.gz DSZQNTIVYXYSOA-MRXNPFEDSA-N 0 1 289.810 3.988 20 0 CHADMN COc1cc([C@@H](C)NCc2ccc(C(C)C)nc2C)ccn1 ZINC000339197608 522906499 /nfs/dbraw/zinc/90/64/99/522906499.db2.gz BUYKVOOPCPITPJ-CYBMUJFWSA-N 0 1 299.418 3.768 20 0 CHADMN CC[C@@H](c1ccccc1)N(Cc1nnc(C)o1)CC(C)C ZINC000264759559 523099320 /nfs/dbraw/zinc/09/93/20/523099320.db2.gz XMIZXAPUDJDNQM-INIZCTEOSA-N 0 1 287.407 3.987 20 0 CHADMN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnc(C)[nH]1 ZINC000264853312 523102854 /nfs/dbraw/zinc/10/28/54/523102854.db2.gz NLLRWPQENMOBOA-DOTOQJQBSA-N 0 1 297.402 3.517 20 0 CHADMN CC[C@@H](c1ccccc1)[C@H]1CCCN1Cc1noc(C)n1 ZINC000069679419 523104994 /nfs/dbraw/zinc/10/49/94/523104994.db2.gz QTIGZQPNSUGHEG-JKSUJKDBSA-N 0 1 285.391 3.536 20 0 CHADMN CC[C@H]1CCN(Cc2coc(-c3cccs3)n2)C1 ZINC000125833883 523164714 /nfs/dbraw/zinc/16/47/14/523164714.db2.gz FVVWBGNWRXCMQL-NSHDSACASA-N 0 1 262.378 3.635 20 0 CHADMN COCc1nc(CN[C@@H](C)CCC=C(C)C)cs1 ZINC000289682928 523204724 /nfs/dbraw/zinc/20/47/24/523204724.db2.gz HUTFEPQZTWXNKW-LBPRGKRZSA-N 0 1 268.426 3.514 20 0 CHADMN COCc1nc(CNCC[C@H](C)c2ccccc2)cs1 ZINC000266242026 523199118 /nfs/dbraw/zinc/19/91/18/523199118.db2.gz XMODYDKJUKHEJK-ZDUSSCGKSA-N 0 1 290.432 3.573 20 0 CHADMN CC[C@@H]1CCCC[C@H]1C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000280107173 523212443 /nfs/dbraw/zinc/21/24/43/523212443.db2.gz ANEDTTXMGBNLJK-NXEZZACHSA-N 0 1 285.338 3.811 20 0 CHADMN CCn1cc([C@@H](C)NCc2ccccc2OC(C)C)cn1 ZINC000129001626 523458200 /nfs/dbraw/zinc/45/82/00/523458200.db2.gz CUZIUDISNNEKBA-CQSZACIVSA-N 0 1 287.407 3.541 20 0 CHADMN CCn1cc([C@@H](C)NCc2ccccc2C(F)(F)F)cn1 ZINC000061626326 523458733 /nfs/dbraw/zinc/45/87/33/523458733.db2.gz ZCXYLNKOCPXUTO-LLVKDONJSA-N 0 1 297.324 3.773 20 0 CHADMN CN(Cc1coc(-c2cccc(F)c2)n1)CC1CCC1 ZINC000111298308 523521935 /nfs/dbraw/zinc/52/19/35/523521935.db2.gz OQMHICKMWDVKAQ-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCc1conc1C ZINC000339270823 523546673 /nfs/dbraw/zinc/54/66/73/523546673.db2.gz JYSVGWKZHKPDBU-IAQYHMDHSA-N 0 1 294.782 3.502 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H]1CCCc2ccccc21 ZINC000295967197 523555128 /nfs/dbraw/zinc/55/51/28/523555128.db2.gz MKPJJWFUXOLZLH-BBRMVZONSA-N 0 1 269.392 3.631 20 0 CHADMN CN(Cc1ncc(-c2cccs2)o1)CC1CCC1 ZINC000111295857 523573569 /nfs/dbraw/zinc/57/35/69/523573569.db2.gz LSZNXPAVHMJSNG-UHFFFAOYSA-N 0 1 262.378 3.635 20 0 CHADMN CC[C@@]1(C)CCN(Cc2nnc(-c3cc(C)oc3C)o2)C1 ZINC000336834845 523712660 /nfs/dbraw/zinc/71/26/60/523712660.db2.gz HTNCWXFJRXDJSZ-INIZCTEOSA-N 0 1 289.379 3.568 20 0 CHADMN CCc1cc(OC)ccc1CNCc1ccc(Cl)cn1 ZINC000337266305 523839238 /nfs/dbraw/zinc/83/92/38/523839238.db2.gz VHQDAHZTQDSJLG-UHFFFAOYSA-N 0 1 290.794 3.596 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1ccnn1C(C)C ZINC000280077958 523859207 /nfs/dbraw/zinc/85/92/07/523859207.db2.gz YDZQFZQMLMCXPX-AWEZNQCLSA-N 0 1 287.407 3.632 20 0 CHADMN Cc1ncc(CN[C@@H]2CCCc3c(Cl)cccc32)o1 ZINC000335279284 534744029 /nfs/dbraw/zinc/74/40/29/534744029.db2.gz OZMZNVVXVZIJDC-OAHLLOKOSA-N 0 1 276.767 3.804 20 0 CHADMN CCc1ccc(CN(C)Cc2cccc(C)c2)nc1 ZINC000338926709 523920650 /nfs/dbraw/zinc/92/06/50/523920650.db2.gz QELAAEQHHBFZFF-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN CCc1ccc([C@H](C)NCc2cc(OC)cc(C)n2)cc1 ZINC000213464098 524046147 /nfs/dbraw/zinc/04/61/47/524046147.db2.gz MTUIWCTWGKGWBB-AWEZNQCLSA-N 0 1 284.403 3.812 20 0 CHADMN CCc1ccc([C@H](C)NCc2cnc([C@@H](C)O)s2)cc1 ZINC000289367210 524046152 /nfs/dbraw/zinc/04/61/52/524046152.db2.gz ZHNDVSXPOPIYFO-NWDGAFQWSA-N 0 1 290.432 3.610 20 0 CHADMN COc1cccc([C@@H](C)NCc2ccccc2OC)c1 ZINC000019903209 524090463 /nfs/dbraw/zinc/09/04/63/524090463.db2.gz KWEWWABAVGIPJF-CYBMUJFWSA-N 0 1 271.360 3.555 20 0 CHADMN C[C@H]1CCCN(Cc2ccc(Br)o2)CC1 ZINC000307414842 524091393 /nfs/dbraw/zinc/09/13/93/524091393.db2.gz KEQAHZRSURACTI-JTQLQIEISA-N 0 1 272.186 3.664 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2cncc(F)c2)c1 ZINC000344721929 534764309 /nfs/dbraw/zinc/76/43/09/534764309.db2.gz PMGIBPSKBWIRCK-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cccc(C2(NCc3cc(C)ncn3)CCCC2)c1 ZINC000293019780 524331148 /nfs/dbraw/zinc/33/11/48/524331148.db2.gz CJOPNYCKKRYSRW-UHFFFAOYSA-N 0 1 281.403 3.653 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)N[C@@H](C)c1ccncc1 ZINC000037089905 524331197 /nfs/dbraw/zinc/33/11/97/524331197.db2.gz PYMULOJJAANQDF-NWDGAFQWSA-N 0 1 274.339 3.641 20 0 CHADMN C[C@H]1CC[C@H](N[C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000127882334 524423029 /nfs/dbraw/zinc/42/30/29/524423029.db2.gz XWNJMZGDAWUVSW-IMJJTQAJSA-N 0 1 269.392 3.667 20 0 CHADMN COc1ccccc1CN[C@@H](C)c1ccccc1OC ZINC000019903169 524491112 /nfs/dbraw/zinc/49/11/12/524491112.db2.gz ZZKRSFMTQJQIRL-ZDUSSCGKSA-N 0 1 271.360 3.555 20 0 CHADMN C[C@H](COCC(F)(F)F)N[C@H](C)c1cc(F)ccc1F ZINC000264879969 524578338 /nfs/dbraw/zinc/57/83/38/524578338.db2.gz QVENRVJKWFOKGL-RKDXNWHRSA-N 0 1 297.267 3.583 20 0 CHADMN Cc1ccc(CNCc2ccc(C(C)(F)F)cc2)o1 ZINC000292875761 524582487 /nfs/dbraw/zinc/58/24/87/524582487.db2.gz DPWNPOMJMYRSEB-UHFFFAOYSA-N 0 1 265.303 3.990 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2n[nH]c(C(C)C)n2)cc1Cl ZINC000277631205 524594108 /nfs/dbraw/zinc/59/41/08/524594108.db2.gz CGVIJULPHOHCQW-NSHDSACASA-N 0 1 292.814 3.741 20 0 CHADMN C[C@H]1CN(Cc2ccc3ccccc3n2)CCC1(F)F ZINC000289816429 524625252 /nfs/dbraw/zinc/62/52/52/524625252.db2.gz NVFPGDFRDQYMEH-LBPRGKRZSA-N 0 1 276.330 3.712 20 0 CHADMN Cc1cc(CN(Cc2ccoc2)C2CCCCC2)ncn1 ZINC000292322486 524670718 /nfs/dbraw/zinc/67/07/18/524670718.db2.gz BMLXJSNGYZGTKM-UHFFFAOYSA-N 0 1 285.391 3.713 20 0 CHADMN Cc1cc(CN2CC[C@@H](c3ccc(C)cc3C)C2)no1 ZINC000280613864 524701929 /nfs/dbraw/zinc/70/19/29/524701929.db2.gz XWPBLMAJQJOWHB-OAHLLOKOSA-N 0 1 270.376 3.589 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1ccccc1N(C)C ZINC000263842881 524726085 /nfs/dbraw/zinc/72/60/85/524726085.db2.gz IEAAXCIJFIYEPT-CQSZACIVSA-N 0 1 284.403 3.612 20 0 CHADMN Cc1csc(CN(CCc2ccc(F)cc2)C2CC2)n1 ZINC000353475174 534805241 /nfs/dbraw/zinc/80/52/41/534805241.db2.gz WZZPDRDOFUPFDH-UHFFFAOYSA-N 0 1 290.407 3.798 20 0 CHADMN COc1ccnc(CN(Cc2cccs2)C(C)C)c1 ZINC000264474218 524830815 /nfs/dbraw/zinc/83/08/15/524830815.db2.gz YPMSLDMWKZPJEQ-UHFFFAOYSA-N 0 1 276.405 3.562 20 0 CHADMN Cc1cccc([C@H](C)NCc2cccc3c2OCO3)c1 ZINC000040667198 524874203 /nfs/dbraw/zinc/87/42/03/524874203.db2.gz IDYNRXNLLZEVCU-ZDUSSCGKSA-N 0 1 269.344 3.575 20 0 CHADMN Cc1cccc([C@H](NCc2cc(C)ncn2)C(C)(C)C)c1 ZINC000293382627 524883123 /nfs/dbraw/zinc/88/31/23/524883123.db2.gz ZWLCUBXVMOJHMD-KRWDZBQOSA-N 0 1 283.419 3.970 20 0 CHADMN COc1ccc(OC)c([C@H](C)NCc2cccc(C)c2)c1 ZINC000020134135 524906026 /nfs/dbraw/zinc/90/60/26/524906026.db2.gz HDKGOBSGNMQUKQ-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1cc(C)cc(Cl)c1 ZINC000339364256 524934890 /nfs/dbraw/zinc/93/48/90/524934890.db2.gz GSOWBFNIEVHSLQ-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1cc(F)ccc1CNc1ccc2c[nH]nc2c1 ZINC000050576128 524979210 /nfs/dbraw/zinc/97/92/10/524979210.db2.gz WEFQJMOFSPALNZ-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN COc1ncccc1CN[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000126528399 525061014 /nfs/dbraw/zinc/06/10/14/525061014.db2.gz SEYAVDAABRFEBU-CXAGYDPISA-N 0 1 282.387 3.818 20 0 CHADMN COc1ncccc1CN[C@@H](C)c1ccc(C)cc1C ZINC000037650472 525061408 /nfs/dbraw/zinc/06/14/08/525061408.db2.gz KCBXKQBNLNLYOQ-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000044415794 525132046 /nfs/dbraw/zinc/13/20/46/525132046.db2.gz BJNKBQOCTANLQZ-NSHDSACASA-N 0 1 287.384 3.566 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(OC)ccc2F)cc1 ZINC000293505540 525154421 /nfs/dbraw/zinc/15/44/21/525154421.db2.gz HQFYYYRWIQIRJL-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cccnc2)c(F)c1 ZINC000037228954 525162823 /nfs/dbraw/zinc/16/28/23/525162823.db2.gz YCYCMUAQNZKNCR-VXGBXAGGSA-N 0 1 274.339 3.641 20 0 CHADMN COc1ccc([C@@H](NCc2nc(C)cs2)C2CC2)cc1 ZINC000038091071 525202913 /nfs/dbraw/zinc/20/29/13/525202913.db2.gz USLNYCFDAWPADP-INIZCTEOSA-N 0 1 288.416 3.701 20 0 CHADMN C[C@@H]1C[C@@H](NCCF)c2cccc(Br)c21 ZINC000309154896 525266311 /nfs/dbraw/zinc/26/63/11/525266311.db2.gz XEJWINIURIGTLN-LDYMZIIASA-N 0 1 272.161 3.557 20 0 CHADMN Cc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1OC(C)C ZINC000279220687 525231570 /nfs/dbraw/zinc/23/15/70/525231570.db2.gz PFLPOECGQAUABX-UHFFFAOYSA-N 0 1 299.374 3.635 20 0 CHADMN C[C@@H]1C[C@@H](N[C@@H](CCO)c2ccco2)c2ccccc21 ZINC000290013310 525272281 /nfs/dbraw/zinc/27/22/81/525272281.db2.gz BVJGBSLUWAQBEB-UHOFOFEASA-N 0 1 271.360 3.541 20 0 CHADMN C[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2cncs2)C1 ZINC000093531765 525286216 /nfs/dbraw/zinc/28/62/16/525286216.db2.gz BJABJYJPPNBNID-ABAIWWIYSA-N 0 1 276.380 3.865 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2ccc(Cl)nc2)cc1 ZINC000069219554 525298850 /nfs/dbraw/zinc/29/88/50/525298850.db2.gz WUGMXXMZKMWXFI-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2scnc2C)cc1 ZINC000125836194 525300154 /nfs/dbraw/zinc/30/01/54/525300154.db2.gz RZYKUNQNCCWUJG-LBPRGKRZSA-N 0 1 276.405 3.653 20 0 CHADMN Cc1ccccc1[C@@H]1CCN(Cc2cn3ccsc3n2)C1 ZINC000339252398 525386266 /nfs/dbraw/zinc/38/62/66/525386266.db2.gz GAOSCCWTOQVFEB-CQSZACIVSA-N 0 1 297.427 3.694 20 0 CHADMN Cc1nc(SC[C@H]2CCOC2)[nH]c1-c1ccccc1 ZINC000187116165 525413425 /nfs/dbraw/zinc/41/34/25/525413425.db2.gz HZIKLPZMEVXKOP-LBPRGKRZSA-N 0 1 274.389 3.514 20 0 CHADMN Cc1ccccc1[C@H]1CCN(Cc2nccn2C(C)C)C1 ZINC000263746681 525439482 /nfs/dbraw/zinc/43/94/82/525439482.db2.gz RYHTYLNZSABYRQ-INIZCTEOSA-N 0 1 283.419 3.762 20 0 CHADMN Cc1cc([C@@H](C)NCCc2nc(C(C)(C)C)cs2)no1 ZINC000289803506 525462975 /nfs/dbraw/zinc/46/29/75/525462975.db2.gz PCCRGUSAVPFFFS-LLVKDONJSA-N 0 1 293.436 3.630 20 0 CHADMN C[C@H](NCc1ccco1)c1ccc(OC(F)F)cc1 ZINC000020084004 525468145 /nfs/dbraw/zinc/46/81/45/525468145.db2.gz WVAIVSKSELOFEW-JTQLQIEISA-N 0 1 267.275 3.732 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCc3c2cccc3O)c(C)o1 ZINC000044729725 525474301 /nfs/dbraw/zinc/47/43/01/525474301.db2.gz YFSGOPMGWMOWBU-BDJLRTHQSA-N 0 1 271.360 3.940 20 0 CHADMN C[C@@H](NC[C@H]1CC=CCC1)c1nc(Cc2ccccc2)no1 ZINC000237430650 525497750 /nfs/dbraw/zinc/49/77/50/525497750.db2.gz NSGJNAQQCCITGI-ZBFHGGJFSA-N 0 1 297.402 3.667 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CCCc3[nH]c(=O)ccc32)o1 ZINC000299366672 525509112 /nfs/dbraw/zinc/50/91/12/525509112.db2.gz XINNFQCRYXXCDU-DFBGVHRSSA-N 0 1 298.386 3.671 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263563208 525512820 /nfs/dbraw/zinc/51/28/20/525512820.db2.gz DEHXIQXTLIQTEH-DAXOMENPSA-N 0 1 273.376 3.538 20 0 CHADMN Cc1cc([C@H](C)NCc2ncccc2C)c(C)s1 ZINC000071339551 525522349 /nfs/dbraw/zinc/52/23/49/525522349.db2.gz AKEOZYWEHWQEHL-LBPRGKRZSA-N 0 1 260.406 3.919 20 0 CHADMN C[C@@H](NCc1ccc(Cl)nc1)c1ccccc1N(C)C ZINC000093942727 525523594 /nfs/dbraw/zinc/52/35/94/525523594.db2.gz NQMQPOWKOWTHCS-GFCCVEGCSA-N 0 1 289.810 3.652 20 0 CHADMN C[C@H](N[C@@H](C)[C@@H]1OCCc2sccc21)c1nccs1 ZINC000291966846 525525495 /nfs/dbraw/zinc/52/54/95/525525495.db2.gz SSFTXTJUWMAJGB-KWBADKCTSA-N 0 1 294.445 3.558 20 0 CHADMN Cc1cccnc1CNCc1ccc(F)cc1C(F)(F)F ZINC000129450149 525525928 /nfs/dbraw/zinc/52/59/28/525525928.db2.gz NJWOTBFPHCWEGD-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN C[C@@H](NCc1ccccc1OC(F)F)c1cccc(O)c1 ZINC000020131685 525540183 /nfs/dbraw/zinc/54/01/83/525540183.db2.gz IVZQBQUFRXVFBY-LLVKDONJSA-N 0 1 293.313 3.844 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)CC1=CCCCC1 ZINC000276756176 525584014 /nfs/dbraw/zinc/58/40/14/525584014.db2.gz NDGMJQZKZFRZGH-UHFFFAOYSA-N 0 1 269.348 3.700 20 0 CHADMN Cc1ccn2cc(CN[C@H]3C[C@H](C)c4ccccc43)nc2c1 ZINC000289345837 525617880 /nfs/dbraw/zinc/61/78/80/525617880.db2.gz XLXZOXPWWVMDNO-KSSFIOAISA-N 0 1 291.398 3.981 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)c(F)c1)c1cncs1 ZINC000128083544 525659910 /nfs/dbraw/zinc/65/99/10/525659910.db2.gz MJFAEZPJYCZACE-RKDXNWHRSA-N 0 1 268.332 3.833 20 0 CHADMN C[C@@H](N[C@H]1CCCc2ccc(F)cc21)c1ccccn1 ZINC000089214114 525681030 /nfs/dbraw/zinc/68/10/30/525681030.db2.gz HGWIORKCIBBHAY-PXAZEXFGSA-N 0 1 270.351 3.949 20 0 CHADMN CSC[C@H]1CCCN(Cc2nc3ccccc3s2)C1 ZINC000292386496 525707364 /nfs/dbraw/zinc/70/73/64/525707364.db2.gz KBJRRFRFFPVLLU-LBPRGKRZSA-N 0 1 292.473 3.871 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc(Cn3cccn3)c2)o1 ZINC000129491028 525733656 /nfs/dbraw/zinc/73/36/56/525733656.db2.gz NQYUKGCOTCOVNR-OAHLLOKOSA-N 0 1 295.386 3.684 20 0 CHADMN C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000044415792 525735977 /nfs/dbraw/zinc/73/59/77/525735977.db2.gz BJNKBQOCTANLQZ-LLVKDONJSA-N 0 1 287.384 3.566 20 0 CHADMN CSCc1cccc(CN[C@H](C)c2ccc(F)cn2)c1 ZINC000275806683 525738884 /nfs/dbraw/zinc/73/88/84/525738884.db2.gz ZDFYYMSNVYYFMV-GFCCVEGCSA-N 0 1 290.407 3.935 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2nccnc2C)cc1C ZINC000275887901 525745831 /nfs/dbraw/zinc/74/58/31/525745831.db2.gz QIMOEMKCPVOBGO-UKRRQHHQSA-N 0 1 269.392 3.814 20 0 CHADMN Cc1ccc([C@@H](N[C@H](C)c2nccnc2C)C2CC2)cc1 ZINC000275694246 525775076 /nfs/dbraw/zinc/77/50/76/525775076.db2.gz KYRFEVRZZWVWQV-RDTXWAMCSA-N 0 1 281.403 3.895 20 0 CHADMN CS[C@@H](C)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000299504900 525782648 /nfs/dbraw/zinc/78/26/48/525782648.db2.gz HIIRAYYUSNRKKU-VIFPVBQESA-N 0 1 289.404 3.520 20 0 CHADMN C[C@@H](O)CN1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000337209496 525788686 /nfs/dbraw/zinc/78/86/86/525788686.db2.gz SCHUPTSZTYISQV-BXUZGUMPSA-N 0 1 287.325 3.613 20 0 CHADMN CS[C@H](c1nc([C@H](N)CC(C)C)no1)c1ccccc1 ZINC000339397822 525897088 /nfs/dbraw/zinc/89/70/88/525897088.db2.gz SLSWXNKBKCYDBF-OLZOCXBDSA-N 0 1 291.420 3.568 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](CO)c2cccc(F)c2)s1 ZINC000358175756 525943616 /nfs/dbraw/zinc/94/36/16/525943616.db2.gz MUEJIDHGSXRXET-SMDDNHRTSA-N 0 1 279.380 3.580 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2CCc3c2cccc3O)o1 ZINC000036960478 525946596 /nfs/dbraw/zinc/94/65/96/525946596.db2.gz UOSWTGXTZQVSDP-FZMZJTMJSA-N 0 1 257.333 3.632 20 0 CHADMN Cc1ccc([C@H](O)CN2CC(C)(C)[C@H]2c2cccnc2)cc1 ZINC000292016593 525973023 /nfs/dbraw/zinc/97/30/23/525973023.db2.gz ZKAOWIBENFBXPY-QZTJIDSGSA-N 0 1 296.414 3.507 20 0 CHADMN Cc1cnc(C2CCN(Cc3ncccc3C)CC2)s1 ZINC000277606051 525986893 /nfs/dbraw/zinc/98/68/93/525986893.db2.gz WBHBWGBQUMCCES-UHFFFAOYSA-N 0 1 287.432 3.535 20 0 CHADMN Cc1ccc([C@H]2CCN(Cc3nccs3)C2)c(C)c1 ZINC000280341940 526017643 /nfs/dbraw/zinc/01/76/43/526017643.db2.gz HSWMBNORJNRYGV-AWEZNQCLSA-N 0 1 272.417 3.749 20 0 CHADMN Cc1cnc(CN2CCC[C@H]2CCCc2ccccc2)nc1 ZINC000340691437 526021056 /nfs/dbraw/zinc/02/10/56/526021056.db2.gz MJXCCUSGHYYTOC-GOSISDBHSA-N 0 1 295.430 3.772 20 0 CHADMN Cc1cnc(CN2CC[C@@](C)(CCc3ccccc3)C2)nc1 ZINC000340695698 526022609 /nfs/dbraw/zinc/02/26/09/526022609.db2.gz KOABZCWHUIGFBE-LJQANCHMSA-N 0 1 295.430 3.630 20 0 CHADMN C[C@@H](c1c(F)cccc1F)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226456113 526027974 /nfs/dbraw/zinc/02/79/74/526027974.db2.gz DHYPJOMUOLSDJD-RYUDHWBXSA-N 0 1 297.345 3.603 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(CCC(F)(F)F)cc1 ZINC000289490885 526034081 /nfs/dbraw/zinc/03/40/81/526034081.db2.gz KYUNHVJNBGBEJM-UHFFFAOYSA-N 0 1 283.297 3.825 20 0 CHADMN Cc1cn[nH]c1CNc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000289461331 526034702 /nfs/dbraw/zinc/03/47/02/526034702.db2.gz ICVQYMWZUWIQMZ-UHFFFAOYSA-N 0 1 295.333 3.786 20 0 CHADMN Cc1c[nH]nc1CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000289777467 526034802 /nfs/dbraw/zinc/03/48/02/526034802.db2.gz GUNMMFSSFDTQPP-HNNXBMFYSA-N 0 1 277.799 3.858 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000290073604 526036225 /nfs/dbraw/zinc/03/62/25/526036225.db2.gz YLVNBZBOGXZUHQ-QGZVFWFLSA-N 0 1 287.382 3.878 20 0 CHADMN Cc1cn[nH]c1CNc1ccccc1OC(C)(C)C ZINC000289467094 526037877 /nfs/dbraw/zinc/03/78/77/526037877.db2.gz IRKOLKVREKPDAJ-UHFFFAOYSA-N 0 1 259.353 3.508 20 0 CHADMN Cc1cnc(CSc2nc(C=Cc3ccccc3)n[nH]2)o1 ZINC000150856646 526060122 /nfs/dbraw/zinc/06/01/22/526060122.db2.gz PPBWYTPSPOEIOG-BQYQJAHWSA-N 0 1 298.371 3.564 20 0 CHADMN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cccs1 ZINC000093889039 526062816 /nfs/dbraw/zinc/06/28/16/526062816.db2.gz PHEJKRWSQRTORT-HXPMCKFVSA-N 0 1 293.457 3.679 20 0 CHADMN C[C@H](c1cccc(C(F)(F)F)c1)N(C)Cc1cnc[nH]1 ZINC000280562555 526074691 /nfs/dbraw/zinc/07/46/91/526074691.db2.gz VHOOUGKPUIQQMN-SNVBAGLBSA-N 0 1 283.297 3.622 20 0 CHADMN C[C@H](c1cccc(O)c1)N(C)Cc1ccc(Cl)nc1 ZINC000072630256 526082649 /nfs/dbraw/zinc/08/26/49/526082649.db2.gz HYPVFBWPUZOZFZ-LLVKDONJSA-N 0 1 276.767 3.634 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1cnn(C)c1C(F)(F)F ZINC000336837891 526086795 /nfs/dbraw/zinc/08/67/95/526086795.db2.gz OPFIDDMEAKFNAF-NSHDSACASA-N 0 1 297.324 3.632 20 0 CHADMN C[C@H](c1ccccc1)N(Cc1cncc(F)c1)C1CC1 ZINC000275178534 526094406 /nfs/dbraw/zinc/09/44/06/526094406.db2.gz ZVAAIZOAJSNPNU-CYBMUJFWSA-N 0 1 270.351 3.946 20 0 CHADMN CSc1cccc(NC(=O)c2cn[nH]c2C(C)(C)C)c1 ZINC000292785773 526135251 /nfs/dbraw/zinc/13/52/51/526135251.db2.gz YXYASMKEPOPVDY-UHFFFAOYSA-N 0 1 289.404 3.681 20 0 CHADMN C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@@H](C)C1 ZINC000253602102 526170408 /nfs/dbraw/zinc/17/04/08/526170408.db2.gz HWFMUHCTDIGDRO-CHWSQXEVSA-N 0 1 271.364 3.530 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N(C)C[C@@H](C)c1ccccc1 ZINC000263865917 526174794 /nfs/dbraw/zinc/17/47/94/526174794.db2.gz BZCSAWACKGUBML-CHWSQXEVSA-N 0 1 285.391 3.744 20 0 CHADMN C[C@H](c1nc(CC2CCCC2)no1)N1[C@H](C)CC[C@H]1C ZINC000340885153 526176669 /nfs/dbraw/zinc/17/66/69/526176669.db2.gz CARKKEOHPNJMNY-JHJVBQTASA-N 0 1 277.412 3.736 20 0 CHADMN C[C@@H](c1ncc(-c2ccccc2)o1)N1C[C@@H](C)[C@@H]1C ZINC000292910559 526179049 /nfs/dbraw/zinc/17/90/49/526179049.db2.gz FJORNSVFGOMUFX-AGIUHOORSA-N 0 1 256.349 3.743 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H]1CCCc3ccc(O)cc31)CO2 ZINC000366069051 526193254 /nfs/dbraw/zinc/19/32/54/526193254.db2.gz QMTWSBVKARMILH-ROUUACIJSA-N 0 1 295.382 3.801 20 0 CHADMN Cc1ccc2nc(CNC(=O)c3occc3C(C)C)[nH]c2c1 ZINC000339904578 526249304 /nfs/dbraw/zinc/24/93/04/526249304.db2.gz SUMVALLPLFWLHA-UHFFFAOYSA-N 0 1 297.358 3.518 20 0 CHADMN Cc1cnn(C)c1CN(Cc1ccoc1)C1CCCCC1 ZINC000290172763 526251768 /nfs/dbraw/zinc/25/17/68/526251768.db2.gz YLOYZMJVFHOSBC-UHFFFAOYSA-N 0 1 287.407 3.656 20 0 CHADMN Cc1cnn([C@H]2CCN(Cc3cccc(C(F)F)c3)C2)c1 ZINC000289945950 526268937 /nfs/dbraw/zinc/26/89/37/526268937.db2.gz PWSICBUIALJEGW-HNNXBMFYSA-N 0 1 291.345 3.576 20 0 CHADMN FCCCN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000364893302 526283073 /nfs/dbraw/zinc/28/30/73/526283073.db2.gz PITPBAFMZZEXKO-CYBMUJFWSA-N 0 1 262.328 3.714 20 0 CHADMN Cc1csc(C(C)(C)NCc2cccc(C)c2)n1 ZINC000116382354 526321183 /nfs/dbraw/zinc/32/11/83/526321183.db2.gz GOVMHZHKOBKSBZ-UHFFFAOYSA-N 0 1 260.406 3.785 20 0 CHADMN Fc1ccc(CN2CC[C@H](CC(F)(F)F)C2)cc1F ZINC000278964099 526336113 /nfs/dbraw/zinc/33/61/13/526336113.db2.gz ZVDULMUHTWRSJU-SNVBAGLBSA-N 0 1 279.252 3.739 20 0 CHADMN Oc1ccc(-c2nc([C@H]3CCCS3)no2)cc1Cl ZINC000161646183 526338253 /nfs/dbraw/zinc/33/82/53/526338253.db2.gz DVUAXGSFXCBFSY-SNVBAGLBSA-N 0 1 282.752 3.664 20 0 CHADMN Cc1nnc(CN2C[C@@H](c3ccc(C)cc3)C[C@H]2C)s1 ZINC000278352852 526340825 /nfs/dbraw/zinc/34/08/25/526340825.db2.gz ACJUBNTYSFBJJU-DOMZBBRYSA-N 0 1 287.432 3.533 20 0 CHADMN Cc1csc(CN[C@H](C)c2sccc2C)n1 ZINC000069636749 526361490 /nfs/dbraw/zinc/36/14/90/526361490.db2.gz ROZPVBYHVPIXFZ-SNVBAGLBSA-N 0 1 252.408 3.672 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)c1Cl ZINC000293165508 526359020 /nfs/dbraw/zinc/35/90/20/526359020.db2.gz FYGCJJJFGDEUOU-SECBINFHSA-N 0 1 275.726 3.571 20 0 CHADMN Fc1cccc(C2(CNCc3cocn3)CCCC2)c1F ZINC000277126492 526381082 /nfs/dbraw/zinc/38/10/82/526381082.db2.gz ZJORUKRWTSEIOZ-UHFFFAOYSA-N 0 1 292.329 3.554 20 0 CHADMN c1c2ccccc2[nH]c1CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000365652858 526401350 /nfs/dbraw/zinc/40/13/50/526401350.db2.gz BXLGTWQDPCKJRN-ZWKOTPCHSA-N 0 1 296.414 3.701 20 0 CHADMN Fc1cccc2c1OCC[C@H]2N[C@@H]1CCc2ccccc21 ZINC000364762437 526401880 /nfs/dbraw/zinc/40/18/80/526401880.db2.gz AAKIYVKXOCBLFU-IAGOWNOFSA-N 0 1 283.346 3.926 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@H](c3ccc(C)cc3C)C2)o1 ZINC000280380774 526403820 /nfs/dbraw/zinc/40/38/20/526403820.db2.gz JVZJWZLIZGAKHF-ZFWWWQNUSA-N 0 1 285.391 3.545 20 0 CHADMN Cc1nnc([C@H](C)NCCSC2CCCCC2)s1 ZINC000337326742 526405260 /nfs/dbraw/zinc/40/52/60/526405260.db2.gz WNAPFUCQIJMTTE-JTQLQIEISA-N 0 1 285.482 3.563 20 0 CHADMN Cc1nnsc1CN[C@H](C)c1cc(C)c(C)cc1C ZINC000293221140 526448298 /nfs/dbraw/zinc/44/82/98/526448298.db2.gz ALHXJYGHOPTAQG-GFCCVEGCSA-N 0 1 275.421 3.623 20 0 CHADMN Cc1nnsc1CN[C@@H](C)c1cc(C)c(C)cc1C ZINC000293221145 526449012 /nfs/dbraw/zinc/44/90/12/526449012.db2.gz ALHXJYGHOPTAQG-LBPRGKRZSA-N 0 1 275.421 3.623 20 0 CHADMN Cc1nnsc1CN[C@@H](CC(C)C)c1cccs1 ZINC000293380768 526449212 /nfs/dbraw/zinc/44/92/12/526449212.db2.gz IISQKDDECYOWSB-NSHDSACASA-N 0 1 281.450 3.785 20 0 CHADMN c1ccc(-c2cnc(CN[C@@H]3CC[C@@H]3C3CCC3)nc2)cc1 ZINC000338012708 526452148 /nfs/dbraw/zinc/45/21/48/526452148.db2.gz MSNAITPHMUFWJE-QZTJIDSGSA-N 0 1 293.414 3.812 20 0 CHADMN c1ccc(-c2cnc(CN[C@@H]3CC[C@H]3C3CCC3)nc2)cc1 ZINC000338012710 526453087 /nfs/dbraw/zinc/45/30/87/526453087.db2.gz MSNAITPHMUFWJE-ZWKOTPCHSA-N 0 1 293.414 3.812 20 0 CHADMN c1ccc(-c2nc(CN3CCC[C@H]3C3CCC3)no2)cc1 ZINC000102950086 526454518 /nfs/dbraw/zinc/45/45/18/526454518.db2.gz ADYGLKSJKYVJNA-HNNXBMFYSA-N 0 1 283.375 3.501 20 0 CHADMN Cc1noc(C(C)(C)N[C@@H]2CC[C@](C)(c3ccccc3)C2)n1 ZINC000285242144 526462745 /nfs/dbraw/zinc/46/27/45/526462745.db2.gz SNIZDBRXSKDIDB-QAPCUYQASA-N 0 1 299.418 3.713 20 0 CHADMN c1ccc(OC2CC2)c(CN2CCC[C@H]2c2ccncc2)c1 ZINC000290083853 526483118 /nfs/dbraw/zinc/48/31/18/526483118.db2.gz QUWHEXOREDHHAJ-SFHVURJKSA-N 0 1 294.398 3.960 20 0 CHADMN c1ccc([C@@H](NC[C@H]2CCCS2)c2ccccn2)cc1 ZINC000149625402 526491183 /nfs/dbraw/zinc/49/11/83/526491183.db2.gz HPXZFZLWFOMKOZ-NVXWUHKLSA-N 0 1 284.428 3.656 20 0 CHADMN c1ccc([C@@H]2C[C@@H]2[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000291196904 526493924 /nfs/dbraw/zinc/49/39/24/526493924.db2.gz PROGOANHIWKDET-XSLAGTTESA-N 0 1 283.415 3.576 20 0 CHADMN Cc1noc(C)c1CN(Cc1cccc(F)c1)C(C)C ZINC000299118758 526502490 /nfs/dbraw/zinc/50/24/90/526502490.db2.gz FELCNYFWACXGKL-UHFFFAOYSA-N 0 1 276.355 3.841 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)CC(C)(C)C(F)(F)F)ccc12 ZINC000280588240 526536814 /nfs/dbraw/zinc/53/68/14/526536814.db2.gz WQIZSINRDCXMSM-UHFFFAOYSA-N 0 1 299.296 3.788 20 0 CHADMN c1coc([C@@H]2CCCCCN2Cc2cccnc2)c1 ZINC000077177044 526569517 /nfs/dbraw/zinc/56/95/17/526569517.db2.gz IRUWFDOYIGSRFQ-HNNXBMFYSA-N 0 1 256.349 3.792 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1CC[C@H](C)C1 ZINC000261380667 526748080 /nfs/dbraw/zinc/74/80/80/526748080.db2.gz CYVXKKKGDMVYFL-JTQLQIEISA-N 0 1 262.378 3.553 20 0 CHADMN Clc1cc2c(s1)CCC[C@H]2NCc1ccccn1 ZINC000127313393 526930505 /nfs/dbraw/zinc/93/05/05/526930505.db2.gz VJIZWLFQBAATMJ-GFCCVEGCSA-N 0 1 278.808 3.964 20 0 CHADMN Cc1nc(F)ccc1CNCc1ccc(C(F)(F)F)cc1 ZINC000278474103 526946821 /nfs/dbraw/zinc/94/68/21/526946821.db2.gz ZYZLUYJEIMPQOP-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Cc1nc(F)ccc1CNCc1ccccc1C(F)(F)F ZINC000278516194 526947057 /nfs/dbraw/zinc/94/70/57/526947057.db2.gz PKLQPINSFLNMEX-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Clc1csc(CN2CCC([C@@H]3CCCO3)CC2)c1 ZINC000194507815 527002381 /nfs/dbraw/zinc/00/23/81/527002381.db2.gz SOQYBCRQIOQHDV-AWEZNQCLSA-N 0 1 285.840 3.793 20 0 CHADMN Cc1nc([C@H](C)N2C[C@H](c3ccccc3C)C[C@H]2C)no1 ZINC000278547217 527059473 /nfs/dbraw/zinc/05/94/73/527059473.db2.gz GYFRIUZIZGHWMM-VNHYZAJKSA-N 0 1 285.391 3.625 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@@H](C(C)(C)C)C2)[nH]1 ZINC000338621480 527152575 /nfs/dbraw/zinc/15/25/75/527152575.db2.gz GNZDLUANDYPCPP-CYBMUJFWSA-N 0 1 299.418 3.770 20 0 CHADMN O=C(Nc1ccc(C2CCC2)cc1)[C@@H]1CCCc2[nH]ncc21 ZINC000279269403 527165404 /nfs/dbraw/zinc/16/54/04/527165404.db2.gz YQWDVRBOOUURKH-OAHLLOKOSA-N 0 1 295.386 3.736 20 0 CHADMN Cn1cc(CN[C@@H]2CCCc3sccc32)c(C(F)F)n1 ZINC000291072393 527221273 /nfs/dbraw/zinc/22/12/73/527221273.db2.gz SCRRWVLKQYAJEX-LLVKDONJSA-N 0 1 297.374 3.586 20 0 CHADMN Cc1ncc(CNCc2ccc(C(C)C)cc2)s1 ZINC000040997369 527272271 /nfs/dbraw/zinc/27/22/71/527272271.db2.gz WYKMLEFSHYJHHD-UHFFFAOYSA-N 0 1 260.406 3.865 20 0 CHADMN Cn1ccnc1CN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000264382640 527436311 /nfs/dbraw/zinc/43/63/11/527436311.db2.gz PIXHUDKBYSWKFF-MRXNPFEDSA-N 0 1 289.810 3.705 20 0 CHADMN Cn1ccnc1[C@H](N[C@@H]1CCCc2ccc(F)cc21)C1CC1 ZINC000281004186 527465172 /nfs/dbraw/zinc/46/51/72/527465172.db2.gz NTZUWTXTPQBAQN-IAGOWNOFSA-N 0 1 299.393 3.678 20 0 CHADMN C(c1nnc(C2CC2)s1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000336197599 527495540 /nfs/dbraw/zinc/49/55/40/527495540.db2.gz GMAIBRJGWMKWQE-WCQYABFASA-N 0 1 277.437 3.570 20 0 CHADMN Cc1ncsc1CN(C)Cc1cccc2cccnc21 ZINC000066565477 527500548 /nfs/dbraw/zinc/50/05/48/527500548.db2.gz PSZMTNFTRIYCQC-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN C/C(=C/c1ccccc1Cl)c1nc(C2(N)CCC2)no1 ZINC000336579586 527508746 /nfs/dbraw/zinc/50/87/46/527508746.db2.gz NXQGGIDYPHYSEE-KTKRTIGZSA-N 0 1 289.766 3.621 20 0 CHADMN CC(C)(C(=O)Nc1cccc(-c2cn[nH]n2)c1)C1CCCC1 ZINC000333010718 527537475 /nfs/dbraw/zinc/53/74/75/527537475.db2.gz BBFSEDAXMOJKNO-UHFFFAOYSA-N 0 1 298.390 3.627 20 0 CHADMN Nc1ncc(CN2CCCC[C@H]2c2ccc(F)cc2)s1 ZINC000262127078 527564804 /nfs/dbraw/zinc/56/48/04/527564804.db2.gz XVRLXMFFQKZZBI-AWEZNQCLSA-N 0 1 291.395 3.592 20 0 CHADMN FC(F)(F)C1=CCN([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000291259296 527662476 /nfs/dbraw/zinc/66/24/76/527662476.db2.gz WSRPVUNTXVGFSI-ZIAGYGMSSA-N 0 1 267.294 3.737 20 0 CHADMN FC(F)[C@@H](CCc1ccccc1)NC[C@H]1CCSC1 ZINC000280079828 527698419 /nfs/dbraw/zinc/69/84/19/527698419.db2.gz MUPLBUXVZMBBOX-ZIAGYGMSSA-N 0 1 285.403 3.596 20 0 CHADMN CC(C)CC[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccoc1 ZINC000353618916 527811114 /nfs/dbraw/zinc/81/11/14/527811114.db2.gz HCEYPXDCCGADLR-OLZOCXBDSA-N 0 1 293.329 3.660 20 0 CHADMN CC(C)CC[C@H]1CCCCN1C(=O)c1cccc2n[nH]cc21 ZINC000352244737 527854450 /nfs/dbraw/zinc/85/44/50/527854450.db2.gz XCYFTCYALFRNFH-CQSZACIVSA-N 0 1 299.418 3.994 20 0 CHADMN CC1(C2CC2)CCN(Cc2nc3cccnc3s2)CC1 ZINC000352176542 527905783 /nfs/dbraw/zinc/90/57/83/527905783.db2.gz QFSBXRBACFTRIK-UHFFFAOYSA-N 0 1 287.432 3.703 20 0 CHADMN CC(C)CN(Cc1ncc(Cl)s1)CC(C)C ZINC000352003111 527953145 /nfs/dbraw/zinc/95/31/45/527953145.db2.gz OVEOKVBVGCNYFB-UHFFFAOYSA-N 0 1 260.834 3.911 20 0 CHADMN CC(C)c1cnc(CN2CCC3(CCOCC3)[C@H]2C)s1 ZINC000334143421 528215253 /nfs/dbraw/zinc/21/52/53/528215253.db2.gz QNVMNEVKSLNCKM-CYBMUJFWSA-N 0 1 294.464 3.658 20 0 CHADMN CCOc1cc(CN2CCC23CCC3)ccc1OC(F)F ZINC000353667044 528263290 /nfs/dbraw/zinc/26/32/90/528263290.db2.gz RNNNHMIEFPONBG-UHFFFAOYSA-N 0 1 297.345 3.815 20 0 CHADMN CCCO[C@H]1CCCN(c2ccnc(C)c2Cl)CC1 ZINC000352825206 528611696 /nfs/dbraw/zinc/61/16/96/528611696.db2.gz CZUUBDOQPSDDOD-ZDUSSCGKSA-N 0 1 282.815 3.829 20 0 CHADMN CCN(Cc1c(F)cccc1F)C[C@@H]1CCO[C@H](C)C1 ZINC000352729728 528760269 /nfs/dbraw/zinc/76/02/69/528760269.db2.gz WLYDNONGPMWPDL-CHWSQXEVSA-N 0 1 283.362 3.602 20 0 CHADMN CCCCc1nc2ccc(NC(=O)CC3CC3)cc2[nH]1 ZINC000344285415 529045521 /nfs/dbraw/zinc/04/55/21/529045521.db2.gz RFMFETXTUASCOP-UHFFFAOYSA-N 0 1 271.364 3.644 20 0 CHADMN CC1(C)CCc2ccccc2[C@H](NCc2cnccn2)C1 ZINC000334732848 529056159 /nfs/dbraw/zinc/05/61/59/529056159.db2.gz WMTPVESARYMNPM-QGZVFWFLSA-N 0 1 281.403 3.670 20 0 CHADMN CC[C@@H](NCc1ccc(Cl)o1)c1ccncc1 ZINC000344591088 529183695 /nfs/dbraw/zinc/18/36/95/529183695.db2.gz YFPHOTSFSPHXJV-GFCCVEGCSA-N 0 1 250.729 3.569 20 0 CHADMN CC[C@H](c1ccccc1OC)N(C)Cc1ccccn1 ZINC000347542618 529184764 /nfs/dbraw/zinc/18/47/64/529184764.db2.gz PSVHSEAXTSJZJS-MRXNPFEDSA-N 0 1 270.376 3.673 20 0 CHADMN CC[C@@H](N[C@H](c1nccn1C)C1CC1)c1ccc(F)cc1 ZINC000353864016 529206885 /nfs/dbraw/zinc/20/68/85/529206885.db2.gz HYJJQOOJNQGFJS-CVEARBPZSA-N 0 1 287.382 3.751 20 0 CHADMN CC[C@@H](N[C@H](CO)c1sccc1C)c1ccccc1F ZINC000352849104 529207075 /nfs/dbraw/zinc/20/70/75/529207075.db2.gz MTFSXIFAMKWJAC-HUUCEWRRSA-N 0 1 293.407 3.970 20 0 CHADMN CCSc1ccc([C@H](C)NCc2cncn2CC)cc1 ZINC000417910913 529247764 /nfs/dbraw/zinc/24/77/64/529247764.db2.gz LVRJLRMAVSJHHG-ZDUSSCGKSA-N 0 1 289.448 3.866 20 0 CHADMN CC[C@@H]1CCCN1Cc1cscc1Br ZINC000347649012 529301795 /nfs/dbraw/zinc/30/17/95/529301795.db2.gz ZEFQHASVKVGWDD-SNVBAGLBSA-N 0 1 274.227 3.885 20 0 CHADMN CC(C)Oc1ccc(CNc2ncnc3ccsc32)cc1 ZINC000341744068 534984140 /nfs/dbraw/zinc/98/41/40/534984140.db2.gz KYCQBGNYPFYSQQ-UHFFFAOYSA-N 0 1 299.399 3.513 20 0 CHADMN C[N@@H+](Cc1ccsc1C(=O)[O-])C1CCCCCC1 ZINC000104342299 601805201 /nfs/dbraw/zinc/80/52/01/601805201.db2.gz RQYCZQMTEWRDIQ-UHFFFAOYSA-N 0 1 267.394 3.601 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])co2)cc1 ZINC000580336620 599847099 /nfs/dbraw/zinc/84/70/99/599847099.db2.gz VNCQNMHPBSHNRT-MRXNPFEDSA-N 0 1 285.343 3.623 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000062015149 599847108 /nfs/dbraw/zinc/84/71/08/599847108.db2.gz CUMQVWMWMVNDEV-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN CC(C)CC[N@@H+](Cc1cc(C(=O)[O-])co1)C1CCCC1 ZINC000094849810 599848832 /nfs/dbraw/zinc/84/88/32/599848832.db2.gz YPLNZJKMDFTMLL-UHFFFAOYSA-N 0 1 279.380 3.769 20 0 CHADMN CC(C)C[N@@H+](C)Cc1c2ccccc2sc1C(=O)[O-] ZINC000037108829 599936745 /nfs/dbraw/zinc/93/67/45/599936745.db2.gz DLXWOZLDFZHLFZ-UHFFFAOYSA-N 0 1 277.389 3.687 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000566625354 600025171 /nfs/dbraw/zinc/02/51/71/600025171.db2.gz PAKKATVUYJVYCN-MRXNPFEDSA-N 0 1 299.370 3.575 20 0 CHADMN C[C@@H](CCc1ccccc1)[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736562426 600081068 /nfs/dbraw/zinc/08/10/68/600081068.db2.gz RKVURHOERAAUCH-AWEZNQCLSA-N 0 1 295.382 3.722 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C(=O)[O-])Cc2ccccc21 ZINC000736815258 600082879 /nfs/dbraw/zinc/08/28/79/600082879.db2.gz QKEJUDWKEJYDAW-GFCCVEGCSA-N 0 1 299.345 3.643 20 0 CHADMN Cc1ccc(CC[N@@H+](CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000659790398 600208456 /nfs/dbraw/zinc/20/84/56/600208456.db2.gz RGYXUBSOXRIVIN-UHFFFAOYSA-N 0 1 297.398 3.514 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2occc2C(=O)[O-])CC1 ZINC000079349644 600216286 /nfs/dbraw/zinc/21/62/86/600216286.db2.gz NCNIHXBARSARJM-GFCCVEGCSA-N 0 1 279.380 3.626 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1c(Cl)cccc1Cl ZINC000037596094 600218640 /nfs/dbraw/zinc/21/86/40/600218640.db2.gz COUALFGXRCFWSJ-UHFFFAOYSA-N 0 1 290.190 3.679 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000091782732 600319195 /nfs/dbraw/zinc/31/91/95/600319195.db2.gz CJROSMOFTAITAT-RYUDHWBXSA-N 0 1 265.353 3.551 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])CCc1ccc2ccccc2c1 ZINC000652478754 600444787 /nfs/dbraw/zinc/44/47/87/600444787.db2.gz WHSBNTPIGCBSOB-UHFFFAOYSA-N 0 1 285.387 3.567 20 0 CHADMN O=C([O-])C[C@H]1CCCC[N@H+]1CCCc1ccc(Cl)cc1 ZINC000650505054 600712205 /nfs/dbraw/zinc/71/22/05/600712205.db2.gz OSBRLACRVLEFBT-OAHLLOKOSA-N 0 1 295.810 3.602 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](CCCC(=O)[O-])CC1CCC1 ZINC000133236663 600718904 /nfs/dbraw/zinc/71/89/04/600718904.db2.gz CJZRJUACNQPGLF-AWEZNQCLSA-N 0 1 275.392 3.715 20 0 CHADMN CCC(C)(C)CC[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000652454317 600814230 /nfs/dbraw/zinc/81/42/30/600814230.db2.gz LGSPUIPZIVHZLM-UHFFFAOYSA-N 0 1 267.369 3.544 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000828296393 600862568 /nfs/dbraw/zinc/86/25/68/600862568.db2.gz WQZXBWRIJSLALC-BBRMVZONSA-N 0 1 299.370 3.951 20 0 CHADMN C/C(=C/C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000825741230 601155554 /nfs/dbraw/zinc/15/55/54/601155554.db2.gz KLUSWYKEVPZPAW-MSKHEQNASA-N 0 1 279.767 3.508 20 0 CHADMN C/C(=C/C[N@@H+](Cc1ccco1)Cc1cccc(C)c1)C(=O)[O-] ZINC000825730630 601158441 /nfs/dbraw/zinc/15/84/41/601158441.db2.gz ZPNOTFBAHJUVSD-NVNXTCNLSA-N 0 1 299.370 3.621 20 0 CHADMN C/C(=C\C[N@H+]1CCCCC[C@@H]1c1ccc(C)o1)C(=O)[O-] ZINC000825741390 601170437 /nfs/dbraw/zinc/17/04/37/601170437.db2.gz MMWJBZNUONVUCW-BRADTZPFSA-N 0 1 277.364 3.536 20 0 CHADMN CCC(CC)[N@H+](Cc1cc(C(=O)[O-])co1)CC(C)C ZINC000093309313 601181070 /nfs/dbraw/zinc/18/10/70/601181070.db2.gz WWGFSFASIOYSON-UHFFFAOYSA-N 0 1 267.369 3.624 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)Cc1ccccc1C ZINC000122741012 601613514 /nfs/dbraw/zinc/61/35/14/601613514.db2.gz PPJAWNITDCVVKZ-UHFFFAOYSA-N 0 1 289.400 3.695 20 0 CHADMN C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000086779963 601918455 /nfs/dbraw/zinc/91/84/55/601918455.db2.gz CRLCYULLFCMFEX-SCLBCKFNSA-N 0 1 283.371 3.697 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1cccc(Cl)c1 ZINC000109601701 601935924 /nfs/dbraw/zinc/93/59/24/601935924.db2.gz GZQPWPBBZMUNTR-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC000109601897 601941708 /nfs/dbraw/zinc/94/17/08/601941708.db2.gz WRYQMHNHMBLRLV-SECBINFHSA-N 0 1 281.402 3.701 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000578875878 601949103 /nfs/dbraw/zinc/94/91/03/601949103.db2.gz ZUFXVFXQKQWLHI-GFCCVEGCSA-N 0 1 289.400 3.682 20 0 CHADMN O=C([O-])c1sc2ccccc2c1C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000706835960 602208505 /nfs/dbraw/zinc/20/85/05/602208505.db2.gz JZNKCVKREMVNHP-ZWNOBZJWSA-N 0 1 287.384 3.584 20 0 CHADMN Cc1ccccc1[C@@H](C)[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000832976740 604474040 /nfs/dbraw/zinc/47/40/40/604474040.db2.gz BBDOGEJDZLNBLT-CYBMUJFWSA-N 0 1 281.355 3.770 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cc2ccccc2s1 ZINC000833496829 604643828 /nfs/dbraw/zinc/64/38/28/604643828.db2.gz HEICQCGNBHQKEE-UHFFFAOYSA-N 0 1 277.389 3.586 20 0 CHADMN CCCCC[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000829349584 604677489 /nfs/dbraw/zinc/67/74/89/604677489.db2.gz YRTGUDBYEPKJFC-ZDUSSCGKSA-N 0 1 265.353 3.523 20 0 CHADMN CC(C)[C@@H](C)[N@@H+](Cc1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000833469288 604750600 /nfs/dbraw/zinc/75/06/00/604750600.db2.gz UHFJGBHKMRPFFF-LLVKDONJSA-N 0 1 279.355 3.533 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])cc1F)C1CCCC1 ZINC000566359565 604762383 /nfs/dbraw/zinc/76/23/83/604762383.db2.gz JLMLXKWKXZHOGG-UHFFFAOYSA-N 0 1 279.355 3.677 20 0 CHADMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1ccccc1CC(=O)[O-])C1CC1 ZINC000833638097 605068334 /nfs/dbraw/zinc/06/83/34/605068334.db2.gz JNQULRVVPHIBED-ZIAGYGMSSA-N 0 1 289.419 3.713 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833548363 605104785 /nfs/dbraw/zinc/10/47/85/605104785.db2.gz NXTPXMQJHKNUIZ-SNVBAGLBSA-N 0 1 292.766 3.559 20 0 CHADMN CC(C)[C@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000581017634 605829045 /nfs/dbraw/zinc/82/90/45/605829045.db2.gz VQYBFMWUSIHGRS-JTQLQIEISA-N 0 1 269.772 3.515 20 0 CHADMN CC(C)(c1ccnc(Cl)c1)N1C[C@@H]2CC(F)(F)[C@@H]2C1 ZINC001164410482 718871960 /nfs/dbraw/zinc/87/19/60/718871960.db2.gz BTWMUNBFRREXGU-GXSJLCMTSA-N 0 1 286.753 3.557 20 0 CHADMN C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000062015320 948947917 /nfs/dbraw/zinc/94/79/17/948947917.db2.gz XLIVYETUEOKVHT-GFCCVEGCSA-N 0 1 287.334 3.717 20 0 CHADMN C[C@@H](C[N@H+]1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1 ZINC000086755331 949062905 /nfs/dbraw/zinc/06/29/05/949062905.db2.gz LVVYEFPCCKBXBI-GOEBONIOSA-N 0 1 275.392 3.509 20 0 CHADMN C[C@H](Cc1cccs1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000093268769 949169625 /nfs/dbraw/zinc/16/96/25/949169625.db2.gz ZYIQNHMHMJXSGC-GFCCVEGCSA-N 0 1 289.400 3.509 20 0 CHADMN Cc1ccccc1-c1nc(CN2CCC[C@@H]2C2CCC2)no1 ZINC000126731577 1125457211 /nfs/dbraw/zinc/45/72/11/1125457211.db2.gz YIBDDQOOOOGAMG-MRXNPFEDSA-N 0 1 297.402 3.810 20 0 CHADMN CCc1ncc(CN[C@H](C)c2cc(C)oc2C)s1 ZINC000044730008 1125457284 /nfs/dbraw/zinc/45/72/84/1125457284.db2.gz ATHBWZFFQRGOPE-SNVBAGLBSA-N 0 1 264.394 3.766 20 0 CHADMN CC[N@@H+](Cc1cccc(C(=O)[O-])c1)Cc1ccccc1F ZINC001589736930 950548962 /nfs/dbraw/zinc/54/89/62/950548962.db2.gz YMRXMCIOLBSQTO-UHFFFAOYSA-N 0 1 287.334 3.546 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C(C)(C)C1 ZINC000380416057 971697633 /nfs/dbraw/zinc/69/76/33/971697633.db2.gz IUNQPPLKABJYSZ-SNVBAGLBSA-N 0 1 281.783 3.659 20 0 CHADMN Cc1ccccc1[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000316113215 950869517 /nfs/dbraw/zinc/86/95/17/950869517.db2.gz SCLQRCXCTIGKTJ-KDOFPFPSSA-N 0 1 295.382 3.740 20 0 CHADMN O=C([O-])CC[N@H+]1CCCCC[C@H]1Cc1ccccc1Cl ZINC001595055341 951487394 /nfs/dbraw/zinc/48/73/94/951487394.db2.gz FTVOQDNPKOHALN-AWEZNQCLSA-N 0 1 295.810 3.602 20 0 CHADMN CC[N@@H+](Cc1cccc(C(=O)[O-])c1Cl)C(C)(C)C ZINC000382284784 971807811 /nfs/dbraw/zinc/80/78/11/971807811.db2.gz OYGUFGALJPUEGU-UHFFFAOYSA-N 0 1 269.772 3.659 20 0 CHADMN C[N@@H+](Cc1cc(F)cc(Cl)c1)C1(C(=O)[O-])CCCCC1 ZINC000384033387 971907876 /nfs/dbraw/zinc/90/78/76/971907876.db2.gz SJAUOYUTXOPZDM-UHFFFAOYSA-N 0 1 299.773 3.698 20 0 CHADMN CC(C)n1ccnc1CN(C)C1CCC(C)(C)CC1 ZINC000127568227 1125462012 /nfs/dbraw/zinc/46/20/12/1125462012.db2.gz BPVRPHLLNJZQKV-UHFFFAOYSA-N 0 1 263.429 3.865 20 0 CHADMN CCCCCC[C@](C)(CC)C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC001137894404 1131430928 /nfs/dbraw/zinc/43/09/28/1131430928.db2.gz SUZHSKPECAPCMN-BQFCYCMXSA-N 0 1 296.499 3.924 20 0 CHADMN CC(C)(C)C[N@@H+](CC[C@H]1CCc2ccccc21)CC(=O)[O-] ZINC000662222474 954391627 /nfs/dbraw/zinc/39/16/27/954391627.db2.gz FOFCAJFWEVWQIJ-OAHLLOKOSA-N 0 1 289.419 3.539 20 0 CHADMN C[N@@H+](Cc1ccc(C2CC2)cc1)C1(C(=O)[O-])CCCCC1 ZINC000386893071 972088945 /nfs/dbraw/zinc/08/89/45/972088945.db2.gz FVYRNQULIPHYCH-UHFFFAOYSA-N 0 1 287.403 3.783 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000388479679 972172731 /nfs/dbraw/zinc/17/27/31/972172731.db2.gz ARKMJAPXJXSWBG-GOSISDBHSA-N 0 1 295.382 3.894 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CCc1cccc(Cl)c1 ZINC000901996616 956596158 /nfs/dbraw/zinc/59/61/58/956596158.db2.gz HTEZJSBSGUCOLR-HNNXBMFYSA-N 0 1 295.810 3.602 20 0 CHADMN CCc1ccc2ccccc2c1C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000903405493 956832320 /nfs/dbraw/zinc/83/23/20/956832320.db2.gz SGECQEPHLFYRJU-LJQANCHMSA-N 0 1 297.398 3.699 20 0 CHADMN C[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1cc2ccccc2o1 ZINC000903695540 956882589 /nfs/dbraw/zinc/88/25/89/956882589.db2.gz BOUBHWKDIVLPMI-UHFFFAOYSA-N 0 1 287.359 3.510 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCCC3(CCCCC3)C2)CCC1 ZINC000903696397 956884390 /nfs/dbraw/zinc/88/43/90/956884390.db2.gz VLHOCDIVKNBPLX-UHFFFAOYSA-N 0 1 279.424 3.678 20 0 CHADMN C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccccc1C(=O)[O-] ZINC000042771629 957426767 /nfs/dbraw/zinc/42/67/67/957426767.db2.gz GBLFGNTTXIUFRP-NSHDSACASA-N 0 1 287.384 3.566 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000079417716 957755720 /nfs/dbraw/zinc/75/57/20/957755720.db2.gz OAXUNTJAGSUZQW-GFCCVEGCSA-N 0 1 279.355 3.536 20 0 CHADMN Cc1oc(C[N@H+](C)C2CCC(C)(C)CC2)cc1C(=O)[O-] ZINC000094860027 958315512 /nfs/dbraw/zinc/31/55/12/958315512.db2.gz RJWCYTKHJVDWNY-UHFFFAOYSA-N 0 1 279.380 3.687 20 0 CHADMN CC(C)CC[N@@H+](Cc1cc(C(=O)[O-])ccc1F)C1CC1 ZINC000112439443 958441495 /nfs/dbraw/zinc/44/14/95/958441495.db2.gz NKKBYGKIBBUSRY-UHFFFAOYSA-N 0 1 279.355 3.534 20 0 CHADMN C[C@]12C[C@H]1CCC[C@@H]2NCc1ncc(-c2ccccc2)cn1 ZINC000282883198 1125468525 /nfs/dbraw/zinc/46/85/25/1125468525.db2.gz VVHNKJLDTAVRSN-AOIWGVFYSA-N 0 1 293.414 3.812 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000156919447 959055535 /nfs/dbraw/zinc/05/55/35/959055535.db2.gz FWFKXHPAVKTUIS-ZDUSSCGKSA-N 0 1 275.392 3.917 20 0 CHADMN Cc1ccc(C[N@@H+]2Cc3ccc(C(=O)[O-])cc3C2)cc1C ZINC000156905649 959056386 /nfs/dbraw/zinc/05/63/86/959056386.db2.gz ARJILPRDKAPBQR-UHFFFAOYSA-N 0 1 281.355 3.517 20 0 CHADMN Cc1ccc(C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)cc1C ZINC000156905649 959056404 /nfs/dbraw/zinc/05/64/04/959056404.db2.gz ARJILPRDKAPBQR-UHFFFAOYSA-N 0 1 281.355 3.517 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000221536131 959808791 /nfs/dbraw/zinc/80/87/91/959808791.db2.gz ITJHLGLZCJKFKB-ZLKJLUDKSA-N 0 1 281.783 3.586 20 0 CHADMN Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000223498703 959836119 /nfs/dbraw/zinc/83/61/19/959836119.db2.gz FFXBXYKKGGXGNB-GDBMZVCRSA-N 0 1 289.419 3.879 20 0 CHADMN C[C@@H](C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000223495716 959836148 /nfs/dbraw/zinc/83/61/48/959836148.db2.gz IYEOJMMBPZTRAY-GOEBONIOSA-N 0 1 289.419 3.613 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000227407770 959947510 /nfs/dbraw/zinc/94/75/10/959947510.db2.gz BEXYEBHNUOGPQW-MFKMUULPSA-N 0 1 281.421 3.765 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1ccccc1F ZINC001204156995 960602522 /nfs/dbraw/zinc/60/25/22/960602522.db2.gz MQBJPXBBKYBXMO-UHFFFAOYSA-N 0 1 287.334 3.546 20 0 CHADMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(C(=O)[O-])ccc1F ZINC001231456015 960605856 /nfs/dbraw/zinc/60/58/56/960605856.db2.gz HMTCYTBMEQNQHY-GFCCVEGCSA-N 0 1 299.345 3.643 20 0 CHADMN Cc1oc2ccccc2c1CN(C)Cc1cccn1C ZINC000129338498 1125473629 /nfs/dbraw/zinc/47/36/29/1125473629.db2.gz WBHMRQPWHPTIDQ-UHFFFAOYSA-N 0 1 268.360 3.712 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(C)(C)CC)cc1 ZINC001573768165 960637105 /nfs/dbraw/zinc/63/71/05/960637105.db2.gz IWWWMCSUAMKYMF-HNNXBMFYSA-N 0 1 277.408 3.669 20 0 CHADMN CCCCC[C@H](NC(=O)C[N@@H+](CC)C1CC1)C(C)(C)C ZINC001136774207 1131441029 /nfs/dbraw/zinc/44/10/29/1131441029.db2.gz VECJMVKXUFFFEN-HNNXBMFYSA-N 0 1 282.472 3.582 20 0 CHADMN CCCCC[C@H](NC(=O)CN(CC)C1CC1)C(C)(C)C ZINC001136774207 1131441031 /nfs/dbraw/zinc/44/10/31/1131441031.db2.gz VECJMVKXUFFFEN-HNNXBMFYSA-N 0 1 282.472 3.582 20 0 CHADMN Cc1cc(C)c(/C=C/C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])cc1C ZINC001574322054 960830286 /nfs/dbraw/zinc/83/02/86/960830286.db2.gz LXKLEQCXFDQQNU-AMFYOEQGSA-N 0 1 287.403 3.563 20 0 CHADMN Cc1cc(C)c(/C=C\C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])cc1C ZINC001574322055 960831013 /nfs/dbraw/zinc/83/10/13/960831013.db2.gz LXKLEQCXFDQQNU-BZOVTKSESA-N 0 1 287.403 3.563 20 0 CHADMN CC(C)OCc1ccccc1CN[C@H](C)c1ccccn1 ZINC000536585358 1125475084 /nfs/dbraw/zinc/47/50/84/1125475084.db2.gz XLJPVUNFCWONOX-OAHLLOKOSA-N 0 1 284.403 3.857 20 0 CHADMN C[C@@H](CN1CCCC(F)(F)[C@H](F)C1)c1ccccc1 ZINC001207903278 1117759568 /nfs/dbraw/zinc/75/95/68/1117759568.db2.gz FVWFYNBGMMDAJD-GXTWGEPZSA-N 0 1 271.326 3.859 20 0 CHADMN C[C@H]([NH2+]CCOC1CCCC1)c1cc(Cl)ccc1[O-] ZINC000185211694 1117787137 /nfs/dbraw/zinc/78/71/37/1117787137.db2.gz GVTXTNUCXZXACO-NSHDSACASA-N 0 1 283.799 3.655 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000251306248 961246446 /nfs/dbraw/zinc/24/64/46/961246446.db2.gz IGKWLSSJHXTJTN-YOEHRIQHSA-N 0 1 289.419 3.887 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000251306242 961246700 /nfs/dbraw/zinc/24/67/00/961246700.db2.gz IGKWLSSJHXTJTN-PBHICJAKSA-N 0 1 289.419 3.887 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000252596972 961276704 /nfs/dbraw/zinc/27/67/04/961276704.db2.gz ITJHLGLZCJKFKB-LERXQTSPSA-N 0 1 281.783 3.586 20 0 CHADMN Cc1ccc([C@@H](C)CCN2CC3(C2)CC(F)(F)C3)o1 ZINC001208153098 1117836498 /nfs/dbraw/zinc/83/64/98/1117836498.db2.gz XEUWUIBWMRHJRV-NSHDSACASA-N 0 1 269.335 3.813 20 0 CHADMN C[C@H]1CN(Cc2ncc(-c3ccc(F)cc3)o2)CC[C@@H]1C ZINC000536589994 1125478498 /nfs/dbraw/zinc/47/84/98/1125478498.db2.gz WSANHLMIXXJGDC-STQMWFEESA-N 0 1 288.366 3.959 20 0 CHADMN CCc1nc(CN2CCC3(C2)CCCCC3)cs1 ZINC000129962283 1125479168 /nfs/dbraw/zinc/47/91/68/1125479168.db2.gz FQEWUGBRVNDZSM-UHFFFAOYSA-N 0 1 264.438 3.862 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)cc1Cl)C(C)(C)CC(=O)[O-] ZINC001339150730 962011528 /nfs/dbraw/zinc/01/15/28/962011528.db2.gz GMIIDIWREFTHOO-UHFFFAOYSA-N 0 1 290.190 3.679 20 0 CHADMN CC(C)[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1ccc(F)cc1 ZINC001588919065 962364016 /nfs/dbraw/zinc/36/40/16/962364016.db2.gz PYKUTDBROPOGBI-UHFFFAOYSA-N 0 1 293.382 3.681 20 0 CHADMN C[C@]([NH2+]Cc1coc2ccccc12)(C(=O)[O-])c1ccccc1 ZINC001350602094 962549423 /nfs/dbraw/zinc/54/94/23/962549423.db2.gz SUWHNZOHPLCMGH-GOSISDBHSA-N 0 1 295.338 3.522 20 0 CHADMN C[C@H]1CCC[C@@H](C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000312676951 963582996 /nfs/dbraw/zinc/58/29/96/963582996.db2.gz CJERCSMHSNYLAJ-QWHCGFSZSA-N 0 1 273.376 3.527 20 0 CHADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1C(c1ccccc1)c1ccccc1 ZINC000316950439 964078423 /nfs/dbraw/zinc/07/84/23/964078423.db2.gz BHRSERAQQVCSQC-PBHICJAKSA-N 0 1 295.382 3.571 20 0 CHADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1C(c1ccccc1)c1ccccc1 ZINC000316950444 964080272 /nfs/dbraw/zinc/08/02/72/964080272.db2.gz BHRSERAQQVCSQC-RHSMWYFYSA-N 0 1 295.382 3.571 20 0 CHADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1C(c1ccccc1)c1ccccc1 ZINC000316950447 964080469 /nfs/dbraw/zinc/08/04/69/964080469.db2.gz BHRSERAQQVCSQC-WMLDXEAASA-N 0 1 295.382 3.571 20 0 CHADMN CO[C@@H]1CCN(Cc2c(C)cc(F)cc2Cl)[C@@H](C)C1 ZINC001238787633 1118083803 /nfs/dbraw/zinc/08/38/03/1118083803.db2.gz MVPXFJSWAFGCPB-WCQYABFASA-N 0 1 285.790 3.787 20 0 CHADMN Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c(C)c1 ZINC000314014095 967964531 /nfs/dbraw/zinc/96/45/31/967964531.db2.gz VTNMQKWBFWENQK-PMPSAXMXSA-N 0 1 289.419 3.715 20 0 CHADMN Cc1cc(C)c([C@H](C)[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c(C)c1 ZINC000398867975 968283191 /nfs/dbraw/zinc/28/31/91/968283191.db2.gz CNEPTCRJGHBUNI-KCXAZCMYSA-N 0 1 289.419 3.715 20 0 CHADMN C[C@@H](C[N@H+]1CCCC[C@@H]1CCC(=O)[O-])c1ccc(F)cc1 ZINC000901999070 969505290 /nfs/dbraw/zinc/50/52/90/969505290.db2.gz XEKOVNZPEDFABP-XJKSGUPXSA-N 0 1 293.382 3.649 20 0 CHADMN C[C@]1(C(=O)[O-])CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394531942 972717555 /nfs/dbraw/zinc/71/75/55/972717555.db2.gz KWDKIWLRRRZBPC-INIZCTEOSA-N 0 1 267.413 3.534 20 0 CHADMN CC[C@@H]1CCC[C@H](C[N@H+]2CCCCC[C@@H]2C(=O)[O-])C1 ZINC000394539435 972720272 /nfs/dbraw/zinc/72/02/72/972720272.db2.gz RNYSXHNNGBVUED-QLFBSQMISA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)C1CCC(CN[C@@H](C)c2csnn2)CC1 ZINC000398254542 1118107502 /nfs/dbraw/zinc/10/75/02/1118107502.db2.gz BTRFYZQZKBARDP-HIFPTAJRSA-N 0 1 267.442 3.651 20 0 CHADMN CC(C)C1CCC(CN[C@H](C)c2csnn2)CC1 ZINC000398254543 1118107506 /nfs/dbraw/zinc/10/75/06/1118107506.db2.gz BTRFYZQZKBARDP-PNESKVBLSA-N 0 1 267.442 3.651 20 0 CHADMN C[C@@H]1CCCC[C@H]1C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000394816197 972761414 /nfs/dbraw/zinc/76/14/14/972761414.db2.gz ASGJGHMCWCDPNA-KGLIPLIRSA-N 0 1 287.403 3.569 20 0 CHADMN CC[C@H](C)[N@@H+](CCCC1CCCCC1)CC(=O)[O-] ZINC000395205871 972780630 /nfs/dbraw/zinc/78/06/30/972780630.db2.gz OKBQNPFMVYFXKW-ZDUSSCGKSA-N 0 1 255.402 3.532 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1[C@@H](C(=O)[O-])c1ccccc1 ZINC000516479649 974307083 /nfs/dbraw/zinc/30/70/83/974307083.db2.gz RJOGRDOGOPDHMK-FHLIZLRMSA-N 0 1 295.382 3.690 20 0 CHADMN CC(C)C[C@H]1CCCCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000520594056 974340404 /nfs/dbraw/zinc/34/04/04/974340404.db2.gz CSVDPGSAYYCEDP-CQSZACIVSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1cc(C[N@H+](C)C[C@@H](C)C2CCCCC2)oc1C(=O)[O-] ZINC000530172921 974362426 /nfs/dbraw/zinc/36/24/26/974362426.db2.gz LVFYBFNRQGLKSJ-CYBMUJFWSA-N 0 1 293.407 3.934 20 0 CHADMN CC1CCC([N@@H+](Cc2ccoc2C(=O)[O-])C2CC2)CC1 ZINC000565101676 974567680 /nfs/dbraw/zinc/56/76/80/974567680.db2.gz SIFZOMMGMANJJK-UHFFFAOYSA-N 0 1 277.364 3.521 20 0 CHADMN CC[C@H](C)C[N@@H+](C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000565106273 974572203 /nfs/dbraw/zinc/57/22/03/974572203.db2.gz WPBGGUMUQISQLE-TVQRCGJNSA-N 0 1 287.762 3.583 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000565827595 974588933 /nfs/dbraw/zinc/58/89/33/974588933.db2.gz IHNLOUBNPXYJSN-CQSZACIVSA-N 0 1 289.419 3.887 20 0 CHADMN O=C([O-])C[N@@H+](Cc1ccc(C2CCCCC2)cc1)C1CC1 ZINC000566360108 974608661 /nfs/dbraw/zinc/60/86/61/974608661.db2.gz POLOKQHPZVDDOD-UHFFFAOYSA-N 0 1 287.403 3.783 20 0 CHADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000568058824 974654740 /nfs/dbraw/zinc/65/47/40/974654740.db2.gz GSIRAQZJGJHHCV-LJQANCHMSA-N 0 1 297.398 3.569 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000568061638 974657209 /nfs/dbraw/zinc/65/72/09/974657209.db2.gz MQOCQVNCAHFUHK-CZUORRHYSA-N 0 1 293.382 3.710 20 0 CHADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1ccc(C2CCCC2)cc1 ZINC000568067297 974659667 /nfs/dbraw/zinc/65/96/67/974659667.db2.gz RFGLPFCWVXOIDN-UHFFFAOYSA-N 0 1 289.419 3.887 20 0 CHADMN Cc1cc(C[N@@H+]2CCC[C@H]2CCC(C)C)oc1C(=O)[O-] ZINC000569011017 974682947 /nfs/dbraw/zinc/68/29/47/974682947.db2.gz SXQLKKLRNONPHQ-ZDUSSCGKSA-N 0 1 279.380 3.687 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])CC1CCC(c2ccccc2)CC1 ZINC000569700836 974696628 /nfs/dbraw/zinc/69/66/28/974696628.db2.gz JBFDYIJDEBNNHN-UHFFFAOYSA-N 0 1 289.419 3.757 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000570219878 974707318 /nfs/dbraw/zinc/70/73/18/974707318.db2.gz PTTXVWCKLLDDIN-BZPMIXESSA-N 0 1 291.391 3.693 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000570574951 974714751 /nfs/dbraw/zinc/71/47/51/974714751.db2.gz CHVVMTDNWCVEEY-SCDSUCTJSA-N 0 1 293.432 3.908 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+](CC1CCCCC1)C1CC1 ZINC000572772954 974754154 /nfs/dbraw/zinc/75/41/54/974754154.db2.gz UUZOZUMWZVSATM-UHFFFAOYSA-N 0 1 291.391 3.831 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000573498727 974766550 /nfs/dbraw/zinc/76/65/50/974766550.db2.gz BDURYUKWQXGWQN-BHYGNILZSA-N 0 1 289.419 3.755 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000574921693 974791393 /nfs/dbraw/zinc/79/13/93/974791393.db2.gz KFPCYRIKEFEKEZ-RTXFEEFZSA-N 0 1 279.405 3.599 20 0 CHADMN Cc1cc(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)oc1C(=O)[O-] ZINC000578076478 974847047 /nfs/dbraw/zinc/84/70/47/974847047.db2.gz KJBAPGWPWGNDKF-GLQYFDAESA-N 0 1 291.391 3.687 20 0 CHADMN Cc1ccc(F)c(C[N@H+](C)Cc2ccc(C(=O)[O-])s2)c1 ZINC000578756342 974861399 /nfs/dbraw/zinc/86/13/99/974861399.db2.gz PGTMZUCTIJVPSJ-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN Cc1ccc(F)c(C[N@@H+](C)Cc2ccc(C(=O)[O-])s2)c1 ZINC000578756342 974861403 /nfs/dbraw/zinc/86/14/03/974861403.db2.gz PGTMZUCTIJVPSJ-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN CC[N@@H+](Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000580084866 974888715 /nfs/dbraw/zinc/88/87/15/974888715.db2.gz CSDVZRKNIAKJFY-NSHDSACASA-N 0 1 291.322 3.700 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCCCC(=O)[O-])o1 ZINC000580319231 974891686 /nfs/dbraw/zinc/89/16/86/974891686.db2.gz BCPSUIXOZYHOAT-OCCSQVGLSA-N 0 1 279.380 3.616 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCCC[C@H]1C(C)C ZINC000581016889 974903778 /nfs/dbraw/zinc/90/37/78/974903778.db2.gz KHHRRBABCVTWHA-ZDUSSCGKSA-N 0 1 279.380 3.551 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](CCSC2CCCCC2)C1 ZINC000593751283 974987734 /nfs/dbraw/zinc/98/77/34/974987734.db2.gz GYHGYCMZURERIX-CQSZACIVSA-N 0 1 299.480 3.629 20 0 CHADMN CC(C)[N@@H+](CCCCc1cccc(Cl)c1)CCC(=O)[O-] ZINC000622001637 975064735 /nfs/dbraw/zinc/06/47/35/975064735.db2.gz BOXKCAXEVGBHDS-UHFFFAOYSA-N 0 1 297.826 3.848 20 0 CHADMN CCC(CC)C[N@@H+](CC)[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC000634690669 975271042 /nfs/dbraw/zinc/27/10/42/975271042.db2.gz QODLKFZIXLKSPP-MRXNPFEDSA-N 0 1 293.407 3.579 20 0 CHADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000634697273 975274825 /nfs/dbraw/zinc/27/48/25/975274825.db2.gz FFSYPSZEPSOWHV-WBVHZDCISA-N 0 1 287.403 3.715 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000634697621 975275382 /nfs/dbraw/zinc/27/53/82/975275382.db2.gz NJNJTUGLBMJJCP-CYBMUJFWSA-N 0 1 293.432 3.849 20 0 CHADMN C[C@@H](NCCCc1ccccc1Cl)c1ccon1 ZINC000542647857 1118137528 /nfs/dbraw/zinc/13/75/28/1118137528.db2.gz LEZFXDAAOLSPHI-LLVKDONJSA-N 0 1 264.756 3.611 20 0 CHADMN CCCCCC(C)(C)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000765234852 1118139366 /nfs/dbraw/zinc/13/93/66/1118139366.db2.gz GTVIQCBSMCGZOQ-LBPRGKRZSA-N 0 1 294.443 3.712 20 0 CHADMN C[C@H]1CCCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1Cl ZINC000652413673 975526208 /nfs/dbraw/zinc/52/62/08/975526208.db2.gz BDPPXHNOPMKHLP-NSHDSACASA-N 0 1 281.783 3.803 20 0 CHADMN CCC1(CC)CCC[N@@H+](CC2(CC(=O)[O-])CC2)CC1 ZINC000652445074 975536406 /nfs/dbraw/zinc/53/64/06/975536406.db2.gz ARPGTIJFYUFVQT-UHFFFAOYSA-N 0 1 267.413 3.534 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000652451165 975536874 /nfs/dbraw/zinc/53/68/74/975536874.db2.gz SQPCDYAREHLSJS-RBSFLKMASA-N 0 1 281.440 3.634 20 0 CHADMN O=C([O-])C[C@@H]1CCCC[N@H+]1C/C=C\c1ccc(Cl)cc1 ZINC000652463890 975540158 /nfs/dbraw/zinc/54/01/58/975540158.db2.gz ZKVPCJFPGPPSTC-JZIMQPMSSA-N 0 1 293.794 3.682 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2)[C@@H](C(=O)[O-])C1 ZINC000652502818 975566710 /nfs/dbraw/zinc/56/67/10/975566710.db2.gz AUCJPRBLAJHANP-SUMWQHHRSA-N 0 1 283.371 3.525 20 0 CHADMN Cc1cccc(C)c1[C@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000656756081 975682928 /nfs/dbraw/zinc/68/29/28/975682928.db2.gz BBEPQKWSTTZXOM-OAHLLOKOSA-N 0 1 275.392 3.695 20 0 CHADMN CCC1(CC)CCC[N@H+]([C@@H](C(=O)[O-])c2ccsc2)C1 ZINC000656762959 975690347 /nfs/dbraw/zinc/69/03/47/975690347.db2.gz IXZZLCRIXUNPIH-CYBMUJFWSA-N 0 1 281.421 3.776 20 0 CHADMN CCC1(CC)CCC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000656763697 975693404 /nfs/dbraw/zinc/69/34/04/975693404.db2.gz QMPIXLAQVMELLY-LBPRGKRZSA-N 0 1 279.380 3.941 20 0 CHADMN O=C([O-])CC[N@@H+](CCCC1CCC1)Cc1ccccc1 ZINC000659789549 975876516 /nfs/dbraw/zinc/87/65/16/975876516.db2.gz JHHXRIKALQFJIR-UHFFFAOYSA-N 0 1 275.392 3.544 20 0 CHADMN CC(C)(C)CCC[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000659790890 975877239 /nfs/dbraw/zinc/87/72/39/975877239.db2.gz ZOEZACOILIOVEL-UHFFFAOYSA-N 0 1 277.408 3.790 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](C3CCC3)C2)c(F)c1 ZINC000659800797 975891714 /nfs/dbraw/zinc/89/17/14/975891714.db2.gz BJGZOPWIYHFDQN-CQSZACIVSA-N 0 1 291.366 3.536 20 0 CHADMN CCC(CC)CCC[N@@H+](C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000659801520 975892196 /nfs/dbraw/zinc/89/21/96/975892196.db2.gz HWRFVGSAZQGKDF-UHFFFAOYSA-N 0 1 281.396 3.934 20 0 CHADMN C[N@@H+](C[C@H]1CC1(C)C)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000663318637 975943807 /nfs/dbraw/zinc/94/38/07/975943807.db2.gz WZVNOAUDBVSVCE-RNCFNFMXSA-N 0 1 299.773 3.583 20 0 CHADMN CC(C)c1[nH]c(C[N@H+]2CCCCC[C@@H]2C)cc1C(=O)[O-] ZINC001591913101 976354952 /nfs/dbraw/zinc/35/49/52/976354952.db2.gz XKBMYGLMNCNXRF-LBPRGKRZSA-N 0 1 278.396 3.601 20 0 CHADMN CC(C)c1cccc2c1CC[N@H+](Cc1cc(C(=O)[O-])co1)C2 ZINC001591995146 976638975 /nfs/dbraw/zinc/63/89/75/976638975.db2.gz ZAXBPFGYDNFXMR-UHFFFAOYSA-N 0 1 299.370 3.660 20 0 CHADMN CC(C)c1cccc2c1CC[N@@H+](Cc1cc(C(=O)[O-])co1)C2 ZINC001591995146 976638977 /nfs/dbraw/zinc/63/89/77/976638977.db2.gz ZAXBPFGYDNFXMR-UHFFFAOYSA-N 0 1 299.370 3.660 20 0 CHADMN C[C@H](C1CCCCC1)[N@@H+](C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC001592182010 977114300 /nfs/dbraw/zinc/11/43/00/977114300.db2.gz UZXGRNQXLKSCIH-GFCCVEGCSA-N 0 1 293.382 3.925 20 0 CHADMN O=C([O-])c1csc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000711376467 977537325 /nfs/dbraw/zinc/53/73/25/977537325.db2.gz AHLBPYUZZCCEGL-FZMZJTMJSA-N 0 1 279.405 3.601 20 0 CHADMN CCC[C@@H](CC)SCc1n[nH]c(C)c1C(=O)OCC ZINC001652820361 1118275463 /nfs/dbraw/zinc/27/54/63/1118275463.db2.gz WYJLTPTWZRKLRD-LLVKDONJSA-N 0 1 284.425 3.707 20 0 CHADMN C[C@@H](C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1CCCCC1 ZINC001592623687 978594819 /nfs/dbraw/zinc/59/48/19/978594819.db2.gz BUIVBDOMBOTMGL-HJWJTTGWSA-N 0 1 293.451 3.921 20 0 CHADMN O=C([O-])[C@@H](c1cccc(Cl)c1)[N@H+]1CCC2(CCCC2)C1 ZINC000846245329 979422449 /nfs/dbraw/zinc/42/24/49/979422449.db2.gz VEADQZNUCOSDHX-CQSZACIVSA-N 0 1 293.794 3.732 20 0 CHADMN CO[C@H](c1ccccc1)[C@@H](C)NCc1ccc(Cl)o1 ZINC000683815240 1118383626 /nfs/dbraw/zinc/38/36/26/1118383626.db2.gz BOGFSBYFNLIVFZ-ABAIWWIYSA-N 0 1 279.767 3.799 20 0 CHADMN Cc1c(Cl)ccc2c1C[N@@H+](CCC(C)(C)C(=O)[O-])CC2 ZINC000864361694 979933070 /nfs/dbraw/zinc/93/30/70/979933070.db2.gz NVXFBYQFQVMROG-UHFFFAOYSA-N 0 1 295.810 3.507 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@H]2C2CCCC2)cc1C(=O)[O-] ZINC000872157809 980040575 /nfs/dbraw/zinc/04/05/75/980040575.db2.gz URQUCKQYFVFRDY-KRWDZBQOSA-N 0 1 287.403 3.848 20 0 CHADMN C[C@H](C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-])CC(C)(C)C ZINC000872159518 980044040 /nfs/dbraw/zinc/04/40/40/980044040.db2.gz IWVLDCKUBOHBJA-XJKSGUPXSA-N 0 1 289.419 3.570 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CCCC1CC1)CC(=O)[O-] ZINC000872162217 980051425 /nfs/dbraw/zinc/05/14/25/980051425.db2.gz MVUJPLMJWKSKHV-INIZCTEOSA-N 0 1 275.392 3.715 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](CCc1ccccc1)CCC(C)(C)C ZINC000883414997 980206789 /nfs/dbraw/zinc/20/67/89/980206789.db2.gz LDBFEWWLLCQKDK-INIZCTEOSA-N 0 1 291.435 3.831 20 0 CHADMN CC(C)c1ccc(CCN2CC3(CC3(F)F)C2)cc1 ZINC000656265422 1118486762 /nfs/dbraw/zinc/48/67/62/1118486762.db2.gz LSURLFJOLIFGCW-UHFFFAOYSA-N 0 1 265.347 3.694 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000901433035 980281458 /nfs/dbraw/zinc/28/14/58/980281458.db2.gz FWLQAILBVAKARM-WTNCMQEWSA-N 0 1 277.364 3.532 20 0 CHADMN CC[C@@H]([NH2+][C@H]1CCCC1(F)F)c1ccc(C(=O)[O-])cc1 ZINC001595284130 980353648 /nfs/dbraw/zinc/35/36/48/980353648.db2.gz PNXLJKGBISKBIN-OLZOCXBDSA-N 0 1 283.318 3.613 20 0 CHADMN CC1(C)CCC[C@H](C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)C1 ZINC000901554135 980379666 /nfs/dbraw/zinc/37/96/66/980379666.db2.gz XXPSWOLDEVDJTK-CABCVRRESA-N 0 1 281.440 3.780 20 0 CHADMN Cc1cc(C[N@H+](CCC(=O)[O-])CC(C)C)ccc1Cl ZINC000901596014 980399430 /nfs/dbraw/zinc/39/94/30/980399430.db2.gz RNQGGNNTEFLSCR-UHFFFAOYSA-N 0 1 283.799 3.581 20 0 CHADMN CC[C@@H]1CCCC[C@H]1C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000901648195 980426226 /nfs/dbraw/zinc/42/62/26/980426226.db2.gz OKPNRQMXNKCLHG-HIFRSBDPSA-N 0 1 287.403 3.917 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000901744841 980474288 /nfs/dbraw/zinc/47/42/88/980474288.db2.gz LLWZSNBPNRTAQE-CZUORRHYSA-N 0 1 287.403 3.569 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000901780435 980510903 /nfs/dbraw/zinc/51/09/03/980510903.db2.gz YWCZPRKIFFBKFA-WMLDXEAASA-N 0 1 299.414 3.735 20 0 CHADMN C[C@@H](NCC1=CCCOC1)c1cccc(Cl)c1Cl ZINC000127397714 1118519601 /nfs/dbraw/zinc/51/96/01/1118519601.db2.gz MKVUNGNJFFVKJA-SNVBAGLBSA-N 0 1 286.202 3.991 20 0 CHADMN O=C([O-])[C@]12C[N@@H+](Cc3ccc4occc4c3)C[C@H]1CCCC2 ZINC000901917834 980627210 /nfs/dbraw/zinc/62/72/10/980627210.db2.gz LWQBZFJFFWNCAZ-CRAIPNDOSA-N 0 1 299.370 3.510 20 0 CHADMN CC(C)C[N@@H+](CCC(C)(C)C(=O)[O-])Cc1ccccc1F ZINC000902134471 980751562 /nfs/dbraw/zinc/75/15/62/980751562.db2.gz NFNIGCIEKXSURJ-UHFFFAOYSA-N 0 1 295.398 3.785 20 0 CHADMN CCc1oc(C[NH2+]Cc2ccc(Cl)s2)cc1C(=O)[O-] ZINC000902134478 980751780 /nfs/dbraw/zinc/75/17/80/980751780.db2.gz NLVGUWZXMYEWMY-UHFFFAOYSA-N 0 1 299.779 3.545 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])C[C@@H]1CC=CCC1 ZINC001595360744 980754458 /nfs/dbraw/zinc/75/44/58/980754458.db2.gz NPVFPBJQPASUAN-WBVHZDCISA-N 0 1 287.403 3.881 20 0 CHADMN CC(C)[C@H]([NH2+]Cc1cc(C(=O)[O-])co1)c1ccccc1F ZINC000902379574 980862906 /nfs/dbraw/zinc/86/29/06/980862906.db2.gz GLMUVUNZJSHDSW-HNNXBMFYSA-N 0 1 291.322 3.604 20 0 CHADMN CCC[N@@H+](CCc1cccs1)CCC(C)(C)C(=O)[O-] ZINC000902383608 980865088 /nfs/dbraw/zinc/86/50/88/980865088.db2.gz YIJSUYBWGMOESU-UHFFFAOYSA-N 0 1 283.437 3.504 20 0 CHADMN CCCCC[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)C(C)C ZINC000902510877 980914657 /nfs/dbraw/zinc/91/46/57/980914657.db2.gz CIDKJKVIFUSUNN-UHFFFAOYSA-N 0 1 293.407 3.551 20 0 CHADMN CCc1oc(C[N@H+]2C[C@@H](C)CCC[C@H]2C)cc1C(=O)[O-] ZINC000902521386 980918880 /nfs/dbraw/zinc/91/88/80/980918880.db2.gz UAIBUKZXWXDAAF-NWDGAFQWSA-N 0 1 279.380 3.551 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000902531492 980923613 /nfs/dbraw/zinc/92/36/13/980923613.db2.gz UITDWCLFMFAZJA-DOMZBBRYSA-N 0 1 293.382 3.710 20 0 CHADMN CC[C@@H](c1ccccc1OC)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000902542853 980927227 /nfs/dbraw/zinc/92/72/27/980927227.db2.gz JCKCSFMMNXXFAC-AWEZNQCLSA-N 0 1 293.407 3.579 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)[N@H+](Cc3ccc(C(=O)[O-])o3)C2)cc1 ZINC000902546158 980928142 /nfs/dbraw/zinc/92/81/42/980928142.db2.gz SGUFYFWZFOOUIV-ZFWWWQNUSA-N 0 1 299.370 3.664 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)[N@H+](Cc3cc(C(=O)[O-])co3)C2)cc1 ZINC000902546110 980928255 /nfs/dbraw/zinc/92/82/55/980928255.db2.gz RHINEVUYHQCEFP-ZFWWWQNUSA-N 0 1 299.370 3.664 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)[C@H](C)C1CCCCC1 ZINC000902545894 980928426 /nfs/dbraw/zinc/92/84/26/980928426.db2.gz NDZHMVFFHBKLDL-LLVKDONJSA-N 0 1 279.380 3.687 20 0 CHADMN CCC[N@@H+](Cc1ccccc1F)[C@H](C(=O)[O-])[C@H](C)CC ZINC000903600721 980982409 /nfs/dbraw/zinc/98/24/09/980982409.db2.gz DAIIEHWDNUILQV-DOMZBBRYSA-N 0 1 281.371 3.537 20 0 CHADMN Cc1ccc([C@@H]2CC[N@@H+](CCCCC(=O)[O-])C2(C)C)cc1 ZINC000903611436 980991750 /nfs/dbraw/zinc/99/17/50/980991750.db2.gz MQUCIQJSGDXCLS-INIZCTEOSA-N 0 1 289.419 3.818 20 0 CHADMN Cc1ccc([C@H]2CC[N@@H+](CCCCC(=O)[O-])C2(C)C)cc1 ZINC000903611437 980992202 /nfs/dbraw/zinc/99/22/02/980992202.db2.gz MQUCIQJSGDXCLS-MRXNPFEDSA-N 0 1 289.419 3.818 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000903617421 980995654 /nfs/dbraw/zinc/99/56/54/980995654.db2.gz XBPAKPGFQQWKAP-AWEZNQCLSA-N 0 1 289.419 3.959 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000903618760 980996101 /nfs/dbraw/zinc/99/61/01/980996101.db2.gz MYSFKXIOMXFDSE-CQSZACIVSA-N 0 1 289.419 3.959 20 0 CHADMN C[N@H+](Cc1ccc(C(=O)[O-])c2cccnc12)CC1CCCC1 ZINC000903889233 981022484 /nfs/dbraw/zinc/02/24/84/981022484.db2.gz HAENZVKEQQLZSS-UHFFFAOYSA-N 0 1 298.386 3.555 20 0 CHADMN CCC[C@@H](C)CCC[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001595571146 981478072 /nfs/dbraw/zinc/47/80/72/981478072.db2.gz NVUUHBZJNRETET-UGUYLWEFSA-N 0 1 281.440 3.921 20 0 CHADMN Cc1ccc(CN2CCC23CCCCC3)c(Cl)n1 ZINC000707141866 1118647843 /nfs/dbraw/zinc/64/78/43/1118647843.db2.gz YQIYHYNVZAPXOV-UHFFFAOYSA-N 0 1 264.800 3.952 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)NC(C)(C)C(F)F ZINC000684414146 1118688528 /nfs/dbraw/zinc/68/85/28/1118688528.db2.gz TYZMFIDFNQPXOE-ZDUSSCGKSA-N 0 1 255.352 3.949 20 0 CHADMN Cc1ccccc1CN[C@@H]1CSc2ccccc21 ZINC000083748824 1118732199 /nfs/dbraw/zinc/73/21/99/1118732199.db2.gz FNLZLIOZHATFAQ-OAHLLOKOSA-N 0 1 255.386 3.932 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC001595690937 982203407 /nfs/dbraw/zinc/20/34/07/982203407.db2.gz XQAPFTJLRNQWGV-CYBMUJFWSA-N 0 1 281.421 3.991 20 0 CHADMN O=C([O-])[C@H](c1ccccc1Cl)[N@H+]1CCC[C@@H](CCF)C1 ZINC001118438144 982956136 /nfs/dbraw/zinc/95/61/36/982956136.db2.gz HSAWCYLVBZBWGN-FZMZJTMJSA-N 0 1 299.773 3.537 20 0 CHADMN C[N@@H+](Cc1cc2ccccc2s1)C(C)(C)CC(=O)[O-] ZINC001119536851 982983487 /nfs/dbraw/zinc/98/34/87/982983487.db2.gz FBCHGNWICRADIT-UHFFFAOYSA-N 0 1 277.389 3.586 20 0 CHADMN Cc1oc(C[N@H+](C)CC(C(C)C)C(C)C)cc1C(=O)[O-] ZINC001119597081 982998619 /nfs/dbraw/zinc/99/86/19/982998619.db2.gz GUHOKCKYQUNRKA-UHFFFAOYSA-N 0 1 281.396 3.646 20 0 CHADMN C[C@@H](Cc1c(Cl)cccc1Cl)NCc1ccon1 ZINC000130410208 1118979011 /nfs/dbraw/zinc/97/90/11/1118979011.db2.gz YMEKZODRPRZJCQ-VIFPVBQESA-N 0 1 285.174 3.702 20 0 CHADMN CSC1(CNCc2ncc(Cl)s2)CCCCC1 ZINC000235030456 1119062195 /nfs/dbraw/zinc/06/21/95/1119062195.db2.gz BSBRMEQODLXRSH-UHFFFAOYSA-N 0 1 290.885 3.952 20 0 CHADMN C/C(=C\C[N@H+]1CCC(C)(C)[C@H](c2ccccc2)C1)C(=O)[O-] ZINC001588958049 984709177 /nfs/dbraw/zinc/70/91/77/984709177.db2.gz AUYDYEAGQYRHBM-IDJPSDCMSA-N 0 1 287.403 3.533 20 0 CHADMN C/C(=C/c1ccccc1)C[N@H+](C)Cc1cc(C)c(C(=O)[O-])[nH]1 ZINC001589003921 984959152 /nfs/dbraw/zinc/95/91/52/984959152.db2.gz QYOLUAJICLLCPI-LCYFTJDESA-N 0 1 298.386 3.557 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2cc(C(C)(C)C)on2)C1 ZINC000583662841 1119391903 /nfs/dbraw/zinc/39/19/03/1119391903.db2.gz YKWKPLKEZVJVSD-CYBMUJFWSA-N 0 1 264.413 3.840 20 0 CHADMN CC1(C)CN(CCC(F)(F)F)Cc2ccccc2O1 ZINC000584433829 1119543623 /nfs/dbraw/zinc/54/36/23/1119543623.db2.gz RJTDZEARIPUOFW-UHFFFAOYSA-N 0 1 273.298 3.612 20 0 CHADMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC001594669137 986978156 /nfs/dbraw/zinc/97/81/56/986978156.db2.gz ZTJGSXOVPOOQDF-GFCCVEGCSA-N 0 1 299.345 3.643 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(C)c2)C1 ZINC001594686519 987067103 /nfs/dbraw/zinc/06/71/03/987067103.db2.gz XKGUVTJCXGLXMM-NHZBNJEXSA-N 0 1 287.403 3.871 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@@H](C)c2csc(C)n2)C12CCCC2 ZINC000359978243 1125499332 /nfs/dbraw/zinc/49/93/32/1125499332.db2.gz YXSSQGFJLYDDAB-TUKIKUTGSA-N 0 1 294.464 3.840 20 0 CHADMN CCc1[nH]c(C[N@H+]2CC[C@@H](CC(C)(C)C)C2)cc1C(=O)[O-] ZINC001597384948 987591484 /nfs/dbraw/zinc/59/14/84/987591484.db2.gz OZRGCSODFJVDBX-LBPRGKRZSA-N 0 1 292.423 3.533 20 0 CHADMN COCc1csc(CN[C@@H](C)c2ccncc2Cl)c1 ZINC000658210845 1119702790 /nfs/dbraw/zinc/70/27/90/1119702790.db2.gz XFFYBAKCPIPDLU-JTQLQIEISA-N 0 1 296.823 3.794 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@H+]1Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001589731873 987950899 /nfs/dbraw/zinc/95/08/99/987950899.db2.gz ANIAEPNUFKUNLF-CQSZACIVSA-N 0 1 290.407 3.601 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccsc2)C1 ZINC001589733182 987973927 /nfs/dbraw/zinc/97/39/27/987973927.db2.gz XOPZGDNNDCSPRM-CHWSQXEVSA-N 0 1 281.421 3.632 20 0 CHADMN CCc1ccc([C@@H]2CC[N@@H+](CCC(C)(C)C(=O)[O-])C2)cc1 ZINC001597516330 988127522 /nfs/dbraw/zinc/12/75/22/988127522.db2.gz CWKOEQGXGIGPLG-MRXNPFEDSA-N 0 1 289.419 3.539 20 0 CHADMN CCc1cccc(C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC001597586848 988406496 /nfs/dbraw/zinc/40/64/96/988406496.db2.gz MGWZAMKHNRMURC-UHFFFAOYSA-N 0 1 295.382 3.506 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC=CC12CCCCC2 ZINC001597762939 989200455 /nfs/dbraw/zinc/20/04/55/989200455.db2.gz OIHIDEABCOXAOV-UHFFFAOYSA-N 0 1 289.375 3.615 20 0 CHADMN C[C@H](NCc1cc(Cl)nc(Cl)c1)c1cccnc1 ZINC000782977867 1120103532 /nfs/dbraw/zinc/10/35/32/1120103532.db2.gz AKNFUZAXIVHDEU-VIFPVBQESA-N 0 1 282.174 3.634 20 0 CHADMN CC(C)[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C(=O)[O-])o1 ZINC001591105595 991734310 /nfs/dbraw/zinc/73/43/10/991734310.db2.gz VUISFJICQGOHGE-KRWDZBQOSA-N 0 1 299.370 3.733 20 0 CHADMN C[N@@H+](CC/C=C/c1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598471753 992036960 /nfs/dbraw/zinc/03/69/60/992036960.db2.gz FDXIIADHXFSNGB-RXNMKEHESA-N 0 1 295.382 3.848 20 0 CHADMN C[N@@H+](CCC(C)(C)C)Cc1c2ccccc2[nH]c1C(=O)[O-] ZINC001598472296 992045323 /nfs/dbraw/zinc/04/53/23/992045323.db2.gz QLVIYVATYNEOGV-UHFFFAOYSA-N 0 1 288.391 3.734 20 0 CHADMN C[N@@H+](CCC1CCCCC1)C[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001598472810 992053614 /nfs/dbraw/zinc/05/36/14/992053614.db2.gz UCHNVEBZKPFYAB-HZPDHXFCSA-N 0 1 281.440 3.780 20 0 CHADMN C[N@@H+](CCCCC(=O)[O-])[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001598475922 992077082 /nfs/dbraw/zinc/07/70/82/992077082.db2.gz QTMHRSZFVITSBR-IAGOWNOFSA-N 0 1 289.419 3.900 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cccc2c1CCC2 ZINC001598513824 992595195 /nfs/dbraw/zinc/59/51/95/992595195.db2.gz ARECGLGFLNFYHB-UHFFFAOYSA-N 0 1 295.382 3.506 20 0 CHADMN CN(Cc1cccc2ccccc21)c1cc(C(=O)[O-])cc[nH+]1 ZINC001598527402 992736339 /nfs/dbraw/zinc/73/63/39/992736339.db2.gz HQPNPHKIMQRYLZ-UHFFFAOYSA-N 0 1 292.338 3.569 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])[C@H]1C[C@H](C)Sc2sccc21 ZINC001591584364 992792704 /nfs/dbraw/zinc/79/27/04/992792704.db2.gz QVCPSPZBFNAZAC-JQWIXIFHSA-N 0 1 299.461 3.859 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)[C@@H](C)c1ccccc1 ZINC001591596550 992822693 /nfs/dbraw/zinc/82/26/93/992822693.db2.gz HHTJAGZFHHCDSA-ZDUSSCGKSA-N 0 1 286.375 3.685 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1ccsc1C ZINC000310398896 1120278527 /nfs/dbraw/zinc/27/85/27/1120278527.db2.gz MOWUTSCJTYBMCU-MRVPVSSYSA-N 0 1 250.367 3.512 20 0 CHADMN CCO[C@@H]1C[C@H](NCc2nc(C(C)C)cs2)C1(C)C ZINC000181910588 1120308716 /nfs/dbraw/zinc/30/87/16/1120308716.db2.gz VLBFLAYNQAJBGA-QWHCGFSZSA-N 0 1 282.453 3.560 20 0 CHADMN CC(C)CC[C@H]1CCCN1Cc1ccn(C(F)F)n1 ZINC000347681752 1120345025 /nfs/dbraw/zinc/34/50/25/1120345025.db2.gz LKKNSFCZRCIZNM-CYBMUJFWSA-N 0 1 271.355 3.679 20 0 CHADMN Cc1ccc(CNCc2ncccc2C)cc1Cl ZINC000193735843 1120579697 /nfs/dbraw/zinc/57/96/97/1120579697.db2.gz FMMHNDSKJIQSQY-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN COc1cccc(CN2CCSC[C@@H](C)C2)c1Cl ZINC000660407537 1120585061 /nfs/dbraw/zinc/58/50/61/1120585061.db2.gz QTAGQNRSZYVGCD-NSHDSACASA-N 0 1 285.840 3.534 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001593698805 996167214 /nfs/dbraw/zinc/16/72/14/996167214.db2.gz NPPHWRIFPPNGKJ-PEYYIBSZSA-N 0 1 293.794 3.730 20 0 CHADMN C[C@H](c1ccccc1F)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001593717930 996237358 /nfs/dbraw/zinc/23/73/58/996237358.db2.gz VFOHYDOCMYXGTD-GFCCVEGCSA-N 0 1 299.345 3.643 20 0 CHADMN C[C@@H]1C[C@H](NCc2ncc(C(F)(F)F)s2)CCS1 ZINC000922835985 1120606923 /nfs/dbraw/zinc/60/69/23/1120606923.db2.gz HEGIIFZMQXIVRN-HTQZYQBOSA-N 0 1 296.383 3.536 20 0 CHADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+](C)[C@@H](C)C1CCCCC1 ZINC001593730853 996297527 /nfs/dbraw/zinc/29/75/27/996297527.db2.gz ABEZMPUUFGTZAL-WDEREUQCSA-N 0 1 296.436 3.803 20 0 CHADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC001593732003 996307294 /nfs/dbraw/zinc/30/72/94/996307294.db2.gz LNLZGRGFXSRVNG-JTQLQIEISA-N 0 1 294.420 3.581 20 0 CHADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC001593732003 996307297 /nfs/dbraw/zinc/30/72/97/996307297.db2.gz LNLZGRGFXSRVNG-JTQLQIEISA-N 0 1 294.420 3.581 20 0 CHADMN CC1(C)CCCC[C@@H]1C[N@@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC001593904798 996784450 /nfs/dbraw/zinc/78/44/50/996784450.db2.gz LSKJBTDUWWOIMY-CYBMUJFWSA-N 0 1 279.424 3.675 20 0 CHADMN Cc1nc(C)c([C@H](C)NCc2ccoc2C)s1 ZINC000320889274 1120740011 /nfs/dbraw/zinc/74/00/11/1120740011.db2.gz HOQTWJHCKZPGBJ-QMMMGPOBSA-N 0 1 250.367 3.512 20 0 CHADMN C[C@]1(C2CCCCC2)CC[N@H+]1C[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001593992849 997276820 /nfs/dbraw/zinc/27/68/20/997276820.db2.gz PLVVBFZJSNUOEN-YXJHDRRASA-N 0 1 293.451 3.922 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1nc([C@H](C)OCC(C)C)no1 ZINC000661233355 1120742252 /nfs/dbraw/zinc/74/22/52/1120742252.db2.gz YGFUMGNCSVNJPA-STQMWFEESA-N 0 1 297.443 3.718 20 0 CHADMN Fc1cc(F)c(CN2CCC[C@H]3CCC[C@H]32)cc1F ZINC000511893498 1120779670 /nfs/dbraw/zinc/77/96/70/1120779670.db2.gz YTENAKMIAKPSPO-MEBBXXQBSA-N 0 1 269.310 3.868 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1cc(O)cc(Cl)c1)c1nccs1 ZINC000893534736 1120837089 /nfs/dbraw/zinc/83/70/89/1120837089.db2.gz DYVGTDSYGSYOOW-JTQLQIEISA-N 0 1 296.823 3.738 20 0 CHADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001594166706 998634593 /nfs/dbraw/zinc/63/45/93/998634593.db2.gz ARXBQFKNXDIXBI-BLLLJJGKSA-N 0 1 299.414 3.736 20 0 CHADMN C[C@H]1C[C@H](CC[N@H+]2CCCCC[C@@H]2C(=O)[O-])C[C@@H](C)C1 ZINC001594222838 998858708 /nfs/dbraw/zinc/85/87/08/998858708.db2.gz JNDHRLTZTOCVTQ-FXUDXRNXSA-N 0 1 281.440 3.778 20 0 CHADMN C[C@H]1CCC(C)(C)[N@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001594296580 999143163 /nfs/dbraw/zinc/14/31/63/999143163.db2.gz UUSHDBQQAYHVCP-LBPRGKRZSA-N 0 1 298.386 3.696 20 0 CHADMN Oc1ccc2c(c1)CN(CC1CCC(F)(F)CC1)C2 ZINC000625728259 1121148954 /nfs/dbraw/zinc/14/89/54/1121148954.db2.gz DHCCTDGDSLIGFR-UHFFFAOYSA-N 0 1 267.319 3.533 20 0 CHADMN Cc1cc(F)c(NC2=CCCN(C)C2)cc1Br ZINC001175578188 1121395635 /nfs/dbraw/zinc/39/56/35/1121395635.db2.gz AXYPWSLZGSOYBP-UHFFFAOYSA-N 0 1 299.187 3.528 20 0 CHADMN CC[C@H](CN(Cc1ccco1)Cc1cccs1)OC ZINC000419183517 1121408243 /nfs/dbraw/zinc/40/82/43/1121408243.db2.gz CFDHGSSJJDQDNW-CYBMUJFWSA-N 0 1 279.405 3.768 20 0 CHADMN Clc1ccc(CN2CCOC[C@H](C3CCC3)C2)s1 ZINC000429260868 1121487873 /nfs/dbraw/zinc/48/78/73/1121487873.db2.gz DAJVKQIDBFNJQW-GFCCVEGCSA-N 0 1 285.840 3.650 20 0 CHADMN CSC1(CNCc2csc(C(F)(F)F)n2)CCC1 ZINC000894106029 1121525414 /nfs/dbraw/zinc/52/54/14/1121525414.db2.gz NNIFQFVJWLXJIE-UHFFFAOYSA-N 0 1 296.383 3.537 20 0 CHADMN CCc1nc(CN(CC)CCc2ccccc2)cs1 ZINC000051924104 1121602255 /nfs/dbraw/zinc/60/22/55/1121602255.db2.gz MVPFRJWBFHMGPS-UHFFFAOYSA-N 0 1 274.433 3.770 20 0 CHADMN CCN1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000433282170 1121634645 /nfs/dbraw/zinc/63/46/45/1121634645.db2.gz AGXTYURWIKLNER-CYBMUJFWSA-N 0 1 287.325 3.877 20 0 CHADMN CCS[C@@H]1CC[C@@H](N(C)Cc2nc3c(s2)CCC3)C1 ZINC000611416653 1121646143 /nfs/dbraw/zinc/64/61/43/1121646143.db2.gz PECYXNDBQSPUHV-VXGBXAGGSA-N 0 1 296.505 3.738 20 0 CHADMN FC(F)(F)c1nc(CNCC2CCC=CCC2)cs1 ZINC001179651210 1121895919 /nfs/dbraw/zinc/89/59/19/1121895919.db2.gz KGLSRWPVQWOXJN-UHFFFAOYSA-N 0 1 290.354 3.998 20 0 CHADMN C[C@@H]1CCN(Cc2nc(C(C)(C)C)cs2)C[C@@H]1C ZINC000501788220 1122008978 /nfs/dbraw/zinc/00/89/78/1122008978.db2.gz DLZGGHILJWMZST-NEPJUHHUSA-N 0 1 266.454 3.919 20 0 CHADMN COCC[C@H](N[C@H](C)c1ccccc1)c1ccco1 ZINC000272373697 1122200089 /nfs/dbraw/zinc/20/00/89/1122200089.db2.gz AJSGBDQBUBPTFJ-HIFRSBDPSA-N 0 1 259.349 3.708 20 0 CHADMN CCOc1cc(C)ccc1CN1CCCC[C@H](F)C1 ZINC001250171571 1122300298 /nfs/dbraw/zinc/30/02/98/1122300298.db2.gz PSPRQCGNVBNLET-HNNXBMFYSA-N 0 1 265.372 3.718 20 0 CHADMN Cc1nccc(N2CCC[C@@H](CCF)C2)c1Cl ZINC000664412930 1122365132 /nfs/dbraw/zinc/36/51/32/1122365132.db2.gz KHKKLOJDUOGYJF-NSHDSACASA-N 0 1 256.752 3.619 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2cc(O)ccc2Br)C1 ZINC000131827632 1122467465 /nfs/dbraw/zinc/46/74/65/1122467465.db2.gz GWDXGLWWNGMJIE-QWRGUYRKSA-N 0 1 298.224 3.633 20 0 CHADMN COc1cccc(CN(C)[C@@H](C)c2ccco2)c1C ZINC001190615985 1122544104 /nfs/dbraw/zinc/54/41/04/1122544104.db2.gz KOAGDEDXTYSEJM-ZDUSSCGKSA-N 0 1 259.349 3.790 20 0 CHADMN CC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2Cl)CCCO1 ZINC000439480813 1122784373 /nfs/dbraw/zinc/78/43/73/1122784373.db2.gz ZIUPLCFUVOPBPD-QWHCGFSZSA-N 0 1 267.800 3.902 20 0 CHADMN CCOC[C@H]1CCCCN1Cc1ccc(F)cc1Cl ZINC001195028141 1122833351 /nfs/dbraw/zinc/83/33/51/1122833351.db2.gz DGVCEUNAXAOXJU-CQSZACIVSA-N 0 1 285.790 3.870 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N1CCC[C@H](F)C1)CCC2 ZINC001198479656 1122995368 /nfs/dbraw/zinc/99/53/68/1122995368.db2.gz SDTOWUBYZGTVPQ-ZFWWWQNUSA-N 0 1 251.320 3.637 20 0 CHADMN CC(C)(C)NC(=S)Nc1cc(Cl)c(O)cc1Cl ZINC001200908342 1123062478 /nfs/dbraw/zinc/06/24/78/1123062478.db2.gz SYGRHQAKHIOLKS-UHFFFAOYSA-N 0 1 293.219 3.784 20 0 CHADMN CCCCCc1cc(C(=O)N2CCCC[C@H]2CC)n[nH]1 ZINC000665068918 1123146432 /nfs/dbraw/zinc/14/64/32/1123146432.db2.gz ITOMUENDZQTICX-CQSZACIVSA-N 0 1 277.412 3.547 20 0 CHADMN Fc1ccccc1[C@@H]1CCCN1CCC(F)(F)F ZINC001202348602 1123197226 /nfs/dbraw/zinc/19/72/26/1123197226.db2.gz PSZRFLVGUDFBEN-LBPRGKRZSA-N 0 1 261.262 3.915 20 0 CHADMN O=C(C[C@H]1C=CCCC1)Nc1cc(F)cc(Cl)c1O ZINC000427805744 1123249169 /nfs/dbraw/zinc/24/91/69/1123249169.db2.gz JBCRZGQNTDAXRN-VIFPVBQESA-N 0 1 283.730 3.870 20 0 CHADMN Fc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]32)cc1Cl ZINC000469778333 1123408983 /nfs/dbraw/zinc/40/89/83/1123408983.db2.gz ZPNAZRSXICEWPH-BXUZGUMPSA-N 0 1 253.748 3.854 20 0 CHADMN CC1(C(=O)Nc2cc(F)cc(Cl)c2O)CCCC1 ZINC000474445080 1123531176 /nfs/dbraw/zinc/53/11/76/1123531176.db2.gz KJXMVAAIHZRTDQ-UHFFFAOYSA-N 0 1 271.719 3.704 20 0 CHADMN CC[C@]1(C)CC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000399376783 1123565605 /nfs/dbraw/zinc/56/56/05/1123565605.db2.gz XQKSAJAJOIJPMG-CQSZACIVSA-N 0 1 253.773 3.668 20 0 CHADMN CC[C@]1(C)CC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000399376783 1123565607 /nfs/dbraw/zinc/56/56/07/1123565607.db2.gz XQKSAJAJOIJPMG-CQSZACIVSA-N 0 1 253.773 3.668 20 0 CHADMN CCCc1cccc(CN[C@@H](C)c2ccns2)c1 ZINC000858316649 1123644318 /nfs/dbraw/zinc/64/43/18/1123644318.db2.gz FSCDXQCAGORVSL-LBPRGKRZSA-N 0 1 260.406 3.946 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N(C)C[C@H]1CCCCO1 ZINC000346331483 1123681268 /nfs/dbraw/zinc/68/12/68/1123681268.db2.gz WFNCXPFYPDDXRJ-DGCLKSJQSA-N 0 1 269.335 3.527 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1NCc1ncc(Cl)s1 ZINC000346583421 1123697440 /nfs/dbraw/zinc/69/74/40/1123697440.db2.gz WLOJDKPWACFFTK-NXEZZACHSA-N 0 1 290.885 3.950 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)C[C@H]1CC[C@@H](C)O1 ZINC000475055650 1123757975 /nfs/dbraw/zinc/75/79/75/1123757975.db2.gz WYVNVJBIXJEOFO-JHJVBQTASA-N 0 1 267.800 3.900 20 0 CHADMN C[C@@]1(CCNc2ccncc2C(F)(F)F)C[C@@]1(F)Cl ZINC000864091808 1123916542 /nfs/dbraw/zinc/91/65/42/1123916542.db2.gz RGZFNIJYPREKOG-MNOVXSKESA-N 0 1 296.695 3.639 20 0 CHADMN FCC(CF)N[C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000449378366 1124715844 /nfs/dbraw/zinc/71/58/44/1124715844.db2.gz DMUBKWFGRWFJNH-KBPBESRZSA-N 0 1 273.754 3.873 20 0 CHADMN CO[C@H]1CCN(Cc2ccsc2Cl)CC1(C)C ZINC000449496288 1124769219 /nfs/dbraw/zinc/76/92/19/1124769219.db2.gz GOFKSXHPVISWKJ-NSHDSACASA-N 0 1 273.829 3.648 20 0 CHADMN CO[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000449495158 1124769514 /nfs/dbraw/zinc/76/95/14/1124769514.db2.gz HLDDPYVKILAUSV-QMTHXVAHSA-N 0 1 288.218 3.850 20 0 CHADMN Cc1ccc(F)c(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1F ZINC001138115322 1131467457 /nfs/dbraw/zinc/46/74/57/1131467457.db2.gz IEDJQDSGKPFFQQ-CHWSQXEVSA-N 0 1 265.347 3.895 20 0 CHADMN Brc1ncccc1CN1CCC[C@H]1C1CCC1 ZINC000876659822 1124968942 /nfs/dbraw/zinc/96/89/42/1124968942.db2.gz GZLWPISAFIDHGU-ZDUSSCGKSA-N 0 1 295.224 3.609 20 0 CHADMN CSc1ccc([C@@H](C)NCc2ccc(Cl)nn2)cc1 ZINC000877501343 1125037361 /nfs/dbraw/zinc/03/73/61/1125037361.db2.gz OEJGQWXPRCNNNX-SNVBAGLBSA-N 0 1 293.823 3.703 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](C3CCC3)CC2)nn1 ZINC000877703546 1125066889 /nfs/dbraw/zinc/06/68/89/1125066889.db2.gz NSSWCZABBCBRTR-CYBMUJFWSA-N 0 1 279.815 3.532 20 0 CHADMN Clc1cnc(CN2CCC[C@H](C3CCC3)CC2)cn1 ZINC000879426567 1125212332 /nfs/dbraw/zinc/21/23/32/1125212332.db2.gz MCOQJCVHBROMEZ-ZDUSSCGKSA-N 0 1 279.815 3.532 20 0 CHADMN CC(=O)CCN(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000128265214 1125254467 /nfs/dbraw/zinc/25/44/67/1125254467.db2.gz KELKERVZDSDBLK-UHFFFAOYSA-N 0 1 286.202 3.937 20 0 CHADMN Cc1cccc(C)c1CN1CC[C@@](C)(F)[C@@H](F)C1 ZINC001137847801 1131481422 /nfs/dbraw/zinc/48/14/22/1131481422.db2.gz GAOYYENNXDPKRY-LSDHHAIUSA-N 0 1 253.336 3.575 20 0 CHADMN Fc1cccc2[nH]cc(CN3CCC(F)(F)CC3)c21 ZINC001136976592 1131494142 /nfs/dbraw/zinc/49/41/42/1131494142.db2.gz HFCCDQLJIBWQIB-UHFFFAOYSA-N 0 1 268.282 3.538 20 0 CHADMN CC(C)c1nc(CN(C)C[C@H]2CC2(C)C)cs1 ZINC001138887480 1131558315 /nfs/dbraw/zinc/55/83/15/1131558315.db2.gz ADYSQYLSZFDXTQ-LLVKDONJSA-N 0 1 252.427 3.744 20 0 CHADMN C[N@@H+](Cc1c2cc[nH]c2ncc1Cl)CC(C)(C)C ZINC001138951063 1131563926 /nfs/dbraw/zinc/56/39/26/1131563926.db2.gz NNKXUVFRFFLILW-UHFFFAOYSA-N 0 1 265.788 3.646 20 0 CHADMN CCCCN(CCC)Cc1c(F)ccc(OC)c1F ZINC001143976792 1131564197 /nfs/dbraw/zinc/56/41/97/1131564197.db2.gz NDRFVXFVVKOITQ-UHFFFAOYSA-N 0 1 271.351 3.986 20 0 CHADMN CCOc1c(F)cc(CN2CCC[C@@H]2CC)cc1F ZINC001144028290 1131574122 /nfs/dbraw/zinc/57/41/22/1131574122.db2.gz YUROIEYBMWBVPS-LBPRGKRZSA-N 0 1 269.335 3.738 20 0 CHADMN CN(Cc1sccc1Br)C[C@H]1CC1(C)C ZINC001139313565 1131601689 /nfs/dbraw/zinc/60/16/89/1131601689.db2.gz DMCZZPCCFZDFOI-SECBINFHSA-N 0 1 288.254 3.989 20 0 CHADMN C[C@H]1CCCN(Cc2cc(C(F)(F)F)ccn2)CC1 ZINC001140104687 1131664564 /nfs/dbraw/zinc/66/45/64/1131664564.db2.gz XOEQQJSFBMVWNQ-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(C(F)(F)F)ccn2)C1 ZINC001140108823 1131664630 /nfs/dbraw/zinc/66/46/30/1131664630.db2.gz PLXHNORRTMYTBD-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN CC[C@H](C)C[C@H](CC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228508306 1131899970 /nfs/dbraw/zinc/89/99/70/1131899970.db2.gz CDXXSDRITCQYHF-IUCAKERBSA-N 0 1 282.775 3.600 20 0 CHADMN Cc1cccc(C)c1CN[C@H](C)c1ccc(F)cn1 ZINC000773066111 1131934308 /nfs/dbraw/zinc/93/43/08/1131934308.db2.gz AGWDQBLBQADTRJ-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN C[C@H](NCc1cccc(C2CC2)c1)c1ccns1 ZINC000715953953 1131997609 /nfs/dbraw/zinc/99/76/09/1131997609.db2.gz LWWQVEYOMAYTJY-NSHDSACASA-N 0 1 258.390 3.871 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccns2)cc1F ZINC000715933725 1131998428 /nfs/dbraw/zinc/99/84/28/1131998428.db2.gz SYKOVZIONLVIMN-VHSXEESVSA-N 0 1 280.368 3.703 20 0 CHADMN OC[C@H]1CCCCCN1Cc1cc(Cl)cc(Cl)c1 ZINC001171642170 1132082985 /nfs/dbraw/zinc/08/29/85/1132082985.db2.gz RULVPCRDTRYETO-CQSZACIVSA-N 0 1 288.218 3.730 20 0 CHADMN CC[C@@H](C)OCC[C@@H](C)NCc1c(F)ccc(F)c1F ZINC001172321362 1132159481 /nfs/dbraw/zinc/15/94/81/1132159481.db2.gz JSQWZTSTMGOVDU-GHMZBOCLSA-N 0 1 289.341 3.787 20 0 CHADMN Clc1cc2nc(O[C@H]3C=CCCC3)[nH]c2c(Cl)n1 ZINC001231045579 1132248747 /nfs/dbraw/zinc/24/87/47/1132248747.db2.gz XGMZHUMCVIXGOK-ZETCQYMHSA-N 0 1 284.146 3.752 20 0 CHADMN C[C@H](N[C@@H](C)[C@@H]1CC1(F)F)c1c(F)cccc1F ZINC000840883320 1132301930 /nfs/dbraw/zinc/30/19/30/1132301930.db2.gz VDUODEGNUBZBHS-CIUDSAMLSA-N 0 1 261.262 3.659 20 0 CHADMN C[C@]1(F)CCC[N@H+](Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231733596 1132348087 /nfs/dbraw/zinc/34/80/87/1132348087.db2.gz ZQGGNGIOHCTICX-AWEZNQCLSA-N 0 1 271.763 3.760 20 0 CHADMN C[C@]1(F)CCC[N@@H+](Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231733596 1132348094 /nfs/dbraw/zinc/34/80/94/1132348094.db2.gz ZQGGNGIOHCTICX-AWEZNQCLSA-N 0 1 271.763 3.760 20 0 CHADMN CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([O-])c1 ZINC001231737828 1132349400 /nfs/dbraw/zinc/34/94/00/1132349400.db2.gz WTGAQLBLJFGISI-GFCCVEGCSA-N 0 1 253.773 3.810 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c([O-])c1 ZINC001231737828 1132349407 /nfs/dbraw/zinc/34/94/07/1132349407.db2.gz WTGAQLBLJFGISI-GFCCVEGCSA-N 0 1 253.773 3.810 20 0 CHADMN C[C@@H](CSc1ccc(Cl)cc1)N1C[C@@H](C)O[C@H](C)C1 ZINC001172875291 1132353785 /nfs/dbraw/zinc/35/37/85/1132353785.db2.gz KIZSUYSLEYMTEO-YNEHKIRRSA-N 0 1 299.867 3.930 20 0 CHADMN C[N@H+](Cc1nc(Cl)ccc1F)CC1CCCCC1 ZINC001232162592 1132430400 /nfs/dbraw/zinc/43/04/00/1132430400.db2.gz NOKFYHNRAKSBDG-UHFFFAOYSA-N 0 1 270.779 3.886 20 0 CHADMN CN(Cc1nc(Cl)ccc1F)CC1CCCCC1 ZINC001232162592 1132430403 /nfs/dbraw/zinc/43/04/03/1132430403.db2.gz NOKFYHNRAKSBDG-UHFFFAOYSA-N 0 1 270.779 3.886 20 0 CHADMN FC(F)[C@H]1CCCN(Cc2cc(Cl)cs2)C1 ZINC001232282089 1132448888 /nfs/dbraw/zinc/44/88/88/1132448888.db2.gz WXSNBOMDOPOVFT-QMMMGPOBSA-N 0 1 265.756 3.879 20 0 CHADMN CC[C@H]1CCCCN1Cc1cnc(Br)cc1C ZINC001232315362 1132453156 /nfs/dbraw/zinc/45/31/56/1132453156.db2.gz BYXZOMYXENCBLJ-ZDUSSCGKSA-N 0 1 297.240 3.917 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(C(F)(F)F)o2)CC1 ZINC001232441552 1132471521 /nfs/dbraw/zinc/47/15/21/1132471521.db2.gz QJHWKBRSOPKWQS-SNVBAGLBSA-N 0 1 261.287 3.920 20 0 CHADMN CC[C@H]1CCCN1Cc1cc(O)cc(Br)c1 ZINC001232998394 1132549030 /nfs/dbraw/zinc/54/90/30/1132549030.db2.gz QXKCAFSIAWHMFC-LBPRGKRZSA-N 0 1 284.197 3.529 20 0 CHADMN FC(F)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC001203800601 1133369186 /nfs/dbraw/zinc/36/91/86/1133369186.db2.gz XUUJTDIVQLUUKW-LLVKDONJSA-N 0 1 259.727 3.817 20 0 CHADMN C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2)CCC[C@H]1O ZINC001203808724 1133372405 /nfs/dbraw/zinc/37/24/05/1133372405.db2.gz RQTZAMJIJBTBGT-QMTHXVAHSA-N 0 1 288.218 3.586 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H](F)C(F)(F)CC2)c1 ZINC001205616838 1133595473 /nfs/dbraw/zinc/59/54/73/1133595473.db2.gz LDDPXDGLDAZVQD-ZDUSSCGKSA-N 0 1 275.289 3.703 20 0 CHADMN C[N@@H+](Cc1cccnc1Br)[C@@H]1CCC(C)(C)C1 ZINC001205640158 1133597204 /nfs/dbraw/zinc/59/72/04/1133597204.db2.gz YBHPWAXOIBBODB-GFCCVEGCSA-N 0 1 297.240 3.855 20 0 CHADMN CN(Cc1cccnc1Br)[C@@H]1CCC(C)(C)C1 ZINC001205640158 1133597207 /nfs/dbraw/zinc/59/72/07/1133597207.db2.gz YBHPWAXOIBBODB-GFCCVEGCSA-N 0 1 297.240 3.855 20 0 CHADMN Fc1cccc(CCN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001208198169 1133906086 /nfs/dbraw/zinc/90/60/86/1133906086.db2.gz ZZOMBHKMOHUREC-GFCCVEGCSA-N 0 1 275.289 3.643 20 0 CHADMN C[C@H](CN(C)C/C=C/c1ccccc1)C(F)(F)F ZINC001208905406 1133960095 /nfs/dbraw/zinc/96/00/95/1133960095.db2.gz NXGXQNKGAJNJAE-UVMWJGKXSA-N 0 1 257.299 3.830 20 0 CHADMN CSc1cc(Nc2ccncc2)cc(C(F)(F)F)c1 ZINC001214498248 1134546021 /nfs/dbraw/zinc/54/60/21/1134546021.db2.gz BYKWCEMEHLROKS-UHFFFAOYSA-N 0 1 284.306 3.988 20 0 CHADMN CCCc1cc(Nc2ccc(Cl)c(O)c2F)on1 ZINC001214791345 1134572935 /nfs/dbraw/zinc/57/29/35/1134572935.db2.gz RTZZJCCJCNCEDE-UHFFFAOYSA-N 0 1 270.691 3.869 20 0 CHADMN Cc1nc(Cl)ncc1Nc1ccc(Cl)c(O)c1F ZINC001214793356 1134574021 /nfs/dbraw/zinc/57/40/21/1134574021.db2.gz AJDOFBJQFDPLLP-UHFFFAOYSA-N 0 1 288.109 3.680 20 0 CHADMN COc1ccc(Nc2ccc(Cl)c(O)c2F)cc1 ZINC001214798928 1134575162 /nfs/dbraw/zinc/57/51/62/1134575162.db2.gz BTPOUXPNUZASOX-UHFFFAOYSA-N 0 1 267.687 3.937 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1cccc(O)c1Br ZINC000315777033 1135160032 /nfs/dbraw/zinc/16/00/32/1135160032.db2.gz DPMYMNXILCUFDI-WDEREUQCSA-N 0 1 298.224 3.775 20 0 CHADMN Cc1nc(C2(NC[C@H](C)c3ccccc3)CCCC2)no1 ZINC000116877869 1125513283 /nfs/dbraw/zinc/51/32/83/1125513283.db2.gz LRSBFLPRTASGEI-ZDUSSCGKSA-N 0 1 285.391 3.541 20 0 CHADMN CC(C)Sc1ccc(CN[C@H](C)c2cnn(C)c2)cc1 ZINC000348312824 1125527070 /nfs/dbraw/zinc/52/70/70/1125527070.db2.gz WGLMGIHLTINCCB-CYBMUJFWSA-N 0 1 289.448 3.771 20 0 CHADMN CCc1nc(S[C@@H]2CCc3c2cccc3Cl)n[nH]1 ZINC000119057881 1125527084 /nfs/dbraw/zinc/52/70/84/1125527084.db2.gz AXCOUBNRXVYTPG-LLVKDONJSA-N 0 1 279.796 3.800 20 0 CHADMN CCc1n[nH]c(S[C@@H]2CCc3c2cccc3Cl)n1 ZINC000119057881 1125527087 /nfs/dbraw/zinc/52/70/87/1125527087.db2.gz AXCOUBNRXVYTPG-LLVKDONJSA-N 0 1 279.796 3.800 20 0 CHADMN C[C@@H](c1nnc(-c2ccccc2)o1)N(C)CCC1CC1 ZINC000135267961 1125523263 /nfs/dbraw/zinc/52/32/63/1125523263.db2.gz UOENCOYTPQZKBQ-LBPRGKRZSA-N 0 1 271.364 3.530 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1Cc1nnc(C(C)C)o1 ZINC000135335446 1125523391 /nfs/dbraw/zinc/52/33/91/1125523391.db2.gz QQVRBZOZCJUPSS-QWHCGFSZSA-N 0 1 265.401 3.594 20 0 CHADMN Cc1noc(CN2CCC[C@H]2CCC2CCCCC2)n1 ZINC000135298564 1125524107 /nfs/dbraw/zinc/52/41/07/1125524107.db2.gz ARJYKUBGGFJPEO-HNNXBMFYSA-N 0 1 277.412 3.703 20 0 CHADMN CSc1ccc(CN(C)Cc2ccoc2C)cc1 ZINC000055053343 1125531093 /nfs/dbraw/zinc/53/10/93/1125531093.db2.gz JTVWLLSYEULIEW-UHFFFAOYSA-N 0 1 261.390 3.942 20 0 CHADMN CC(=O)Nc1cccc(CN([C@@H](C)c2ccco2)C2CC2)c1 ZINC000119247414 1125531120 /nfs/dbraw/zinc/53/11/20/1125531120.db2.gz AWHMBRJQJDDIMI-ZDUSSCGKSA-N 0 1 298.386 3.964 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@@H](c3ccc(C)cc3C)C2)o1 ZINC000348315367 1125534062 /nfs/dbraw/zinc/53/40/62/1125534062.db2.gz IUCQIJJTILULRL-LSDHHAIUSA-N 0 1 299.418 3.799 20 0 CHADMN O=C(c1ccn[nH]1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000056363790 1125537851 /nfs/dbraw/zinc/53/78/51/1125537851.db2.gz UFIKBQZMHNUQCS-QGZVFWFLSA-N 0 1 291.354 3.540 20 0 CHADMN CCN(CC)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000119952938 1125538932 /nfs/dbraw/zinc/53/89/32/1125538932.db2.gz NBRARLGNERDSKU-UHFFFAOYSA-N 0 1 272.270 3.688 20 0 CHADMN CC=CC=CC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000061230748 1125545820 /nfs/dbraw/zinc/54/58/20/1125545820.db2.gz PCHDWUQXFBXZIL-XYWKEYTNSA-N 0 1 295.386 3.667 20 0 CHADMN CCCC[N@@H+](C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000062649781 1125548523 /nfs/dbraw/zinc/54/85/23/1125548523.db2.gz MGUHMCJDVBNTFY-UHFFFAOYSA-N 0 1 279.771 3.622 20 0 CHADMN CCCCN(C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000062649781 1125548526 /nfs/dbraw/zinc/54/85/26/1125548526.db2.gz MGUHMCJDVBNTFY-UHFFFAOYSA-N 0 1 279.771 3.622 20 0 CHADMN Oc1cccc(CN[C@H]2CCCOc3ccc(F)cc32)c1 ZINC000193693654 1125549565 /nfs/dbraw/zinc/54/95/65/1125549565.db2.gz GNFYXPXBBQZICJ-INIZCTEOSA-N 0 1 287.334 3.535 20 0 CHADMN C[C@@H](CSCc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000193711294 1125549649 /nfs/dbraw/zinc/54/96/49/1125549649.db2.gz LWMNKUVXLUJQJP-NSHDSACASA-N 0 1 273.405 3.719 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H](F)C1)c1nc(C(F)(F)F)cs1 ZINC000348323489 1125553564 /nfs/dbraw/zinc/55/35/64/1125553564.db2.gz NJEQSBUKOPJDHW-XLPZGREQSA-N 0 1 282.306 3.703 20 0 CHADMN CCC[C@@H](NC(=O)c1oc(CN)cc1C)C1CCCCC1 ZINC000637977452 1129239322 /nfs/dbraw/zinc/23/93/22/1129239322.db2.gz BXPWUPMMAYCQHZ-OAHLLOKOSA-N 0 1 292.423 3.526 20 0 CHADMN c1sc(C2CC2)nc1CN1CCCCCCC1 ZINC000134845437 1125568598 /nfs/dbraw/zinc/56/85/98/1125568598.db2.gz QGUISSLEVGDEBI-UHFFFAOYSA-N 0 1 250.411 3.787 20 0 CHADMN Cc1ccc([C@@H](NCc2cncn2C)c2ccccc2)cc1 ZINC000237896183 1125567094 /nfs/dbraw/zinc/56/70/94/1125567094.db2.gz JLRONTAWORQFCN-IBGZPJMESA-N 0 1 291.398 3.608 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2nnc(C)o2)CC[C@H]1c1ccccc1 ZINC000245407594 1125570367 /nfs/dbraw/zinc/57/03/67/1125570367.db2.gz BVLYNHCRDRZXKB-YSVLISHTSA-N 0 1 299.418 3.955 20 0 CHADMN c1sc(C2CC2)nc1CN1CCC[C@H]2CCC[C@H]21 ZINC000245573010 1125583207 /nfs/dbraw/zinc/58/32/07/1125583207.db2.gz AAEYZMYXAQDFFR-BXUZGUMPSA-N 0 1 262.422 3.785 20 0 CHADMN CCn1cc(CN2CC[C@@H](C)C[C@H]2c2ccc(C)o2)cn1 ZINC000245686965 1125587586 /nfs/dbraw/zinc/58/75/86/1125587586.db2.gz ASTDPWGJFBZNNX-CJNGLKHVSA-N 0 1 287.407 3.778 20 0 CHADMN CCn1nccc1CN1C[C@H](C)C[C@H]1c1ccccc1F ZINC000245717450 1125590005 /nfs/dbraw/zinc/59/00/05/1125590005.db2.gz HGMJJWKEZKYGCS-DYVFJYSZSA-N 0 1 287.382 3.625 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H]2CC[C@@H](F)C2)cs1 ZINC000348333284 1125591384 /nfs/dbraw/zinc/59/13/84/1125591384.db2.gz YEEWJATYXSEJRN-HBNTYKKESA-N 0 1 256.390 3.808 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(O)c2)[C@@H](c2ccco2)C1 ZINC000245723933 1125591606 /nfs/dbraw/zinc/59/16/06/1125591606.db2.gz IKOSQCJWNWFHGU-CZUORRHYSA-N 0 1 271.360 3.958 20 0 CHADMN C[C@H](N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000245838064 1125595383 /nfs/dbraw/zinc/59/53/83/1125595383.db2.gz CZSGORJYMKJCLW-JJMVLAAESA-N 0 1 293.313 3.739 20 0 CHADMN Cc1c(Cl)cc(Cl)cc1Nc1cncn1C ZINC001211984034 1125597817 /nfs/dbraw/zinc/59/78/17/1125597817.db2.gz SXHSCOQPNCJTAI-UHFFFAOYSA-N 0 1 256.136 3.779 20 0 CHADMN c1ccc2oc(CN3CCS[C@@H]4CCCC[C@H]43)nc2c1 ZINC000246120795 1125604693 /nfs/dbraw/zinc/60/46/93/1125604693.db2.gz LHHIYAZGHQCSGF-UKRRQHHQSA-N 0 1 288.416 3.688 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N(C)CCC(=O)OC(C)(C)C ZINC000533481998 1125610630 /nfs/dbraw/zinc/61/06/30/1125610630.db2.gz XIDQOXSOBJPLRO-NSHDSACASA-N 0 1 299.361 3.689 20 0 CHADMN Cc1n[nH]c(CN[C@H](C)c2ccc(OC(C)C)cc2)c1C ZINC000885924669 1125627396 /nfs/dbraw/zinc/62/73/96/1125627396.db2.gz TZSSLZXIOZEDNU-CQSZACIVSA-N 0 1 287.407 3.665 20 0 CHADMN Cc1cccc([C@@H](C)N2CCO[C@@H](c3ccco3)C2)c1 ZINC000246367376 1125621591 /nfs/dbraw/zinc/62/15/91/1125621591.db2.gz HVJNUGOVATWTBP-RHSMWYFYSA-N 0 1 271.360 3.723 20 0 CHADMN Cc1cccc([C@H](C)N2CCO[C@@H](c3ccco3)C2)c1 ZINC000246367385 1125621621 /nfs/dbraw/zinc/62/16/21/1125621621.db2.gz HVJNUGOVATWTBP-WMLDXEAASA-N 0 1 271.360 3.723 20 0 CHADMN Cc1[nH]nc(CNc2cccc3c2CCCC3)c1C ZINC000885931374 1125627504 /nfs/dbraw/zinc/62/75/04/1125627504.db2.gz SPHGZGOEEKIZDA-UHFFFAOYSA-N 0 1 255.365 3.517 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@H](c3ccccc3)[C@H]2C)n1 ZINC000246396740 1125622751 /nfs/dbraw/zinc/62/27/51/1125622751.db2.gz JEKNILCTLFLUDE-IPYPFGDCSA-N 0 1 285.391 3.571 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@@H](c3ccccc3)[C@@H]2C)n1 ZINC000246396758 1125624572 /nfs/dbraw/zinc/62/45/72/1125624572.db2.gz JEKNILCTLFLUDE-KCQAQPDRSA-N 0 1 285.391 3.571 20 0 CHADMN COc1ccc(CNCc2ccc(C)s2)c(F)c1OC ZINC000885924633 1125627731 /nfs/dbraw/zinc/62/77/31/1125627731.db2.gz SDDIXHNAOXWJRL-UHFFFAOYSA-N 0 1 295.379 3.503 20 0 CHADMN FC(F)COc1ccccc1CNCc1ccsc1 ZINC000885923167 1125627310 /nfs/dbraw/zinc/62/73/10/1125627310.db2.gz RTYOYQSVEVMVNG-UHFFFAOYSA-N 0 1 283.343 3.682 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2cc(C)co2)c1 ZINC000885953741 1125630664 /nfs/dbraw/zinc/63/06/64/1125630664.db2.gz DZMOHAKONABVMP-CYBMUJFWSA-N 0 1 259.349 3.838 20 0 CHADMN Cc1coc(CN[C@@H](C)[C@H](O)c2c(F)cccc2Cl)c1 ZINC000886005426 1125635394 /nfs/dbraw/zinc/63/53/94/1125635394.db2.gz ASCRREWDYAAPDZ-BONVTDFDSA-N 0 1 297.757 3.592 20 0 CHADMN Cc1cnc([C@H](C)NC/C=C\c2cccc(F)c2)s1 ZINC000886011097 1125637040 /nfs/dbraw/zinc/63/70/40/1125637040.db2.gz VNVACFNRMUQTQV-RNZFLTOJSA-N 0 1 276.380 3.955 20 0 CHADMN Cc1ccccc1NC(=O)c1cn[nH]c1-c1ccc(F)cc1 ZINC000073273249 1125638012 /nfs/dbraw/zinc/63/80/12/1125638012.db2.gz LQRZIPHHLPRLDC-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN Cc1coc(CNC[C@H](O)c2cc3ccccc3s2)c1 ZINC000886019340 1125638061 /nfs/dbraw/zinc/63/80/61/1125638061.db2.gz RNUCLDSWTSUFFB-AWEZNQCLSA-N 0 1 287.384 3.626 20 0 CHADMN Cc1[nH]nc(CNc2ccccc2OCC(C)C)c1C ZINC000886027561 1125639155 /nfs/dbraw/zinc/63/91/55/1125639155.db2.gz GTJVWKZQYFSQSA-UHFFFAOYSA-N 0 1 273.380 3.673 20 0 CHADMN Cc1[nH]nc(CNc2cccc(C(F)F)c2)c1C ZINC000886036361 1125639248 /nfs/dbraw/zinc/63/92/48/1125639248.db2.gz ZWXOPKNSIPXTOI-UHFFFAOYSA-N 0 1 251.280 3.576 20 0 CHADMN CCCCN(C)c1ccc(NCc2n[nH]c(C)c2C)cc1 ZINC000886034809 1125639478 /nfs/dbraw/zinc/63/94/78/1125639478.db2.gz GMUWRBWFEFJAPU-UHFFFAOYSA-N 0 1 286.423 3.875 20 0 CHADMN Cc1cc(CN2C[C@H](C)OC(C)(C)C2)c2ccccc2n1 ZINC000074352588 1125641093 /nfs/dbraw/zinc/64/10/93/1125641093.db2.gz KUPOQXZFBFVFCF-AWEZNQCLSA-N 0 1 284.403 3.543 20 0 CHADMN Cc1cccc([C@@H]2CCCN2CCSC(F)(F)F)n1 ZINC000886043793 1125641138 /nfs/dbraw/zinc/64/11/38/1125641138.db2.gz JSGHXVOOCYOKMN-LBPRGKRZSA-N 0 1 290.354 3.780 20 0 CHADMN Cc1nc2ccc(NC(=O)Cc3cccc(Cl)c3)cc2[nH]1 ZINC000074819720 1125642577 /nfs/dbraw/zinc/64/25/77/1125642577.db2.gz TVLAHAXODWCVAG-UHFFFAOYSA-N 0 1 299.761 3.706 20 0 CHADMN CC(C)c1noc([C@H](C)N2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000246518922 1125645383 /nfs/dbraw/zinc/64/53/83/1125645383.db2.gz BSTCTKPUBJNGTG-HOCLYGCPSA-N 0 1 299.418 3.819 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000246518929 1125645872 /nfs/dbraw/zinc/64/58/72/1125645872.db2.gz BSTCTKPUBJNGTG-ZBFHGGJFSA-N 0 1 299.418 3.819 20 0 CHADMN CCS[C@H](C)c1noc(CN(C)[C@H]2CCCC[C@@H]2C)n1 ZINC000246992142 1125652115 /nfs/dbraw/zinc/65/21/15/1125652115.db2.gz PIIQIMJGBRBQAR-XQQFMLRXSA-N 0 1 297.468 3.894 20 0 CHADMN C[C@H]1CCCN(Cc2csc(-c3ccccn3)n2)[C@H]1C ZINC000246924508 1125655191 /nfs/dbraw/zinc/65/51/91/1125655191.db2.gz QEAAVAMMTOUITF-STQMWFEESA-N 0 1 287.432 3.826 20 0 CHADMN CO[C@@H]1CCC[C@H](NCC(F)(F)C(C)(C)C)CC1 ZINC000886164621 1125657400 /nfs/dbraw/zinc/65/74/00/1125657400.db2.gz PYAUNWWYPGWIAR-NWDGAFQWSA-N 0 1 263.372 3.605 20 0 CHADMN CO[C@H]1CCC[C@@H](NCC(F)(F)C(C)(C)C)CC1 ZINC000886164620 1125657906 /nfs/dbraw/zinc/65/79/06/1125657906.db2.gz PYAUNWWYPGWIAR-NEPJUHHUSA-N 0 1 263.372 3.605 20 0 CHADMN CSCCCN1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000247708908 1125659135 /nfs/dbraw/zinc/65/91/35/1125659135.db2.gz ZRJQJCQGTMNZST-GOEBONIOSA-N 0 1 279.449 3.510 20 0 CHADMN Cc1[nH]nc(CNc2nc3ccccc3n2C(C)C)c1C ZINC000886186399 1125660226 /nfs/dbraw/zinc/66/02/26/1125660226.db2.gz XSTWBJRWJIKFGU-UHFFFAOYSA-N 0 1 283.379 3.569 20 0 CHADMN Clc1ccc(CNc2ccc3c(n2)CCCC3)nc1 ZINC000886184096 1125660501 /nfs/dbraw/zinc/66/05/01/1125660501.db2.gz UMEDMLBFVSAIBG-UHFFFAOYSA-N 0 1 273.767 3.621 20 0 CHADMN Cc1ncc([C@@H](C)[N@H+]2CCC[C@@H]2c2ccco2)c(C)n1 ZINC000638069079 1129241619 /nfs/dbraw/zinc/24/16/19/1129241619.db2.gz ZTFSONLJPDRLJJ-IUODEOHRSA-N 0 1 271.364 3.585 20 0 CHADMN Cc1ncc([C@@H](C)N2CCC[C@@H]2c2ccco2)c(C)n1 ZINC000638069079 1129241621 /nfs/dbraw/zinc/24/16/21/1129241621.db2.gz ZTFSONLJPDRLJJ-IUODEOHRSA-N 0 1 271.364 3.585 20 0 CHADMN Fc1ccc(/C=C\CNCc2cc(C3CC3)no2)c(F)c1 ZINC000886270912 1125663849 /nfs/dbraw/zinc/66/38/49/1125663849.db2.gz QHNMAOUCBFDJON-UPHRSURJSA-N 0 1 290.313 3.633 20 0 CHADMN c1coc([C@@H](Cc2ccccc2)NCC[C@@H]2C[C@H]2C2CC2)n1 ZINC000886272512 1125665310 /nfs/dbraw/zinc/66/53/10/1125665310.db2.gz RHEVNSZTOPVEOE-FGTMMUONSA-N 0 1 296.414 3.984 20 0 CHADMN CC(C)c1nnc(CN[C@H](Cc2ccccc2)C(C)C)o1 ZINC000886423439 1125677876 /nfs/dbraw/zinc/67/78/76/1125677876.db2.gz BKEAZDNKNMBKQB-OAHLLOKOSA-N 0 1 287.407 3.550 20 0 CHADMN CC(C)COc1cccc(CN[C@@H]2CCc3cccnc32)c1 ZINC000886511470 1125681086 /nfs/dbraw/zinc/68/10/86/1125681086.db2.gz UVQYOXVXASQWEW-GOSISDBHSA-N 0 1 296.414 3.894 20 0 CHADMN CC(C)[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)c1cnn(C)c1 ZINC000886507742 1125681389 /nfs/dbraw/zinc/68/13/89/1125681389.db2.gz XDXDVIIUQQBCJR-NUTKFTJISA-N 0 1 287.407 3.623 20 0 CHADMN Cc1nc(CN2CCC[C@H]2Cc2cccc(F)c2)cs1 ZINC000076720469 1125684758 /nfs/dbraw/zinc/68/47/58/1125684758.db2.gz NLRMGWJEMWTXCW-INIZCTEOSA-N 0 1 290.407 3.798 20 0 CHADMN Cc1nc(CN2CC[C@H](Cc3ccc(F)cc3)C2)cs1 ZINC000076807393 1125685736 /nfs/dbraw/zinc/68/57/36/1125685736.db2.gz BUXBTGPZPKCZQJ-CQSZACIVSA-N 0 1 290.407 3.655 20 0 CHADMN Cc1csc(CNCCSCc2ccc(C)cc2)n1 ZINC000117381723 1125686785 /nfs/dbraw/zinc/68/67/85/1125686785.db2.gz SWWBEYMHDWMLAK-UHFFFAOYSA-N 0 1 292.473 3.783 20 0 CHADMN C[C@@H]1CCN(Cc2nccs2)[C@@H]1c1ccccc1 ZINC000886542685 1125687354 /nfs/dbraw/zinc/68/73/54/1125687354.db2.gz DOLQQDWECGEKRA-DOMZBBRYSA-N 0 1 258.390 3.726 20 0 CHADMN CCc1cccc2c1OCC[C@@H]2N[C@H]1CCc2cccnc21 ZINC000886544938 1125688358 /nfs/dbraw/zinc/68/83/58/1125688358.db2.gz CYKWVTUGCOJNPA-IRXDYDNUSA-N 0 1 294.398 3.745 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)N[C@H](C)c2cn[nH]c2)c1 ZINC000284279428 1125689817 /nfs/dbraw/zinc/68/98/17/1125689817.db2.gz XHQZELRQFODDQS-CHWSQXEVSA-N 0 1 273.380 3.609 20 0 CHADMN Cc1cccc(N(C)C(=O)c2cc(Cl)ccc2O)c1 ZINC000049990918 1125694145 /nfs/dbraw/zinc/69/41/45/1125694145.db2.gz PRWKHBBJZJXRCV-UHFFFAOYSA-N 0 1 275.735 3.631 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H]1CCc2cccnc21 ZINC000886592380 1125695156 /nfs/dbraw/zinc/69/51/56/1125695156.db2.gz RHZLYLMXUQKTTR-WBMJQRKESA-N 0 1 298.434 3.680 20 0 CHADMN C[C@@H](NCc1cnc(C(C)(C)C)nc1)c1ccccc1 ZINC000284425058 1125695977 /nfs/dbraw/zinc/69/59/77/1125695977.db2.gz ROPAHHYAURIJIW-CYBMUJFWSA-N 0 1 269.392 3.625 20 0 CHADMN C[C@@H](N[C@H]1CCc2cccnc21)c1ccc2c(c1)CCCO2 ZINC000886640177 1125701102 /nfs/dbraw/zinc/70/11/02/1125701102.db2.gz TXXMJGSNUROBGR-DYVFJYSZSA-N 0 1 294.398 3.745 20 0 CHADMN C[C@H](N[C@H]1CCc2cccnc21)c1cc2cnccc2o1 ZINC000886648030 1125702575 /nfs/dbraw/zinc/70/25/75/1125702575.db2.gz JXYYSWJHCLCOBB-FZMZJTMJSA-N 0 1 279.343 3.561 20 0 CHADMN C[C@@H](N[C@H]1CCc2cccnc21)c1cc2cnccc2o1 ZINC000886648031 1125702900 /nfs/dbraw/zinc/70/29/00/1125702900.db2.gz JXYYSWJHCLCOBB-RISCZKNCSA-N 0 1 279.343 3.561 20 0 CHADMN Clc1cccc(CN2CCC[C@H](c3ncccn3)C2)c1 ZINC000886674355 1125705240 /nfs/dbraw/zinc/70/52/40/1125705240.db2.gz KEMXEHJSWOVKHX-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN CC(C)(NCCC(F)(F)F)c1ccc(F)cc1F ZINC000886897828 1125724070 /nfs/dbraw/zinc/72/40/70/1125724070.db2.gz JITBWHUPMUYFGY-UHFFFAOYSA-N 0 1 267.241 3.742 20 0 CHADMN Cc1cnn(C)c1CN[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000285898142 1125718314 /nfs/dbraw/zinc/71/83/14/1125718314.db2.gz KGBSCUJLVNUITK-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1CCC[C@H](C)C1 ZINC000253602064 1125719314 /nfs/dbraw/zinc/71/93/14/1125719314.db2.gz HHAILRQRTTVFJY-WDEREUQCSA-N 0 1 277.393 3.591 20 0 CHADMN C[C@H]1CC[C@@H](CO)CN1Cc1cccc(Cl)c1Cl ZINC000093739020 1125725524 /nfs/dbraw/zinc/72/55/24/1125725524.db2.gz YCNFDVOPSYBLJO-WDEREUQCSA-N 0 1 288.218 3.586 20 0 CHADMN Cc1nsc(C)c1CN[C@H]1CCc2c1cccc2F ZINC000886924328 1125726433 /nfs/dbraw/zinc/72/64/33/1125726433.db2.gz WJUGEBZQBHRYRE-HNNXBMFYSA-N 0 1 276.380 3.676 20 0 CHADMN OC1(C[C@@H]2CCCCN2Cc2cscn2)CCCCC1 ZINC000887037328 1125732101 /nfs/dbraw/zinc/73/21/01/1125732101.db2.gz ZDVYTNYJVXMPSF-HNNXBMFYSA-N 0 1 294.464 3.583 20 0 CHADMN C[C@@H](NCCOc1ccccc1C(C)(C)C)c1cnccn1 ZINC000089555328 1125735383 /nfs/dbraw/zinc/73/53/83/1125735383.db2.gz QMVCNRXBBQKXCX-CQSZACIVSA-N 0 1 299.418 3.504 20 0 CHADMN C[C@H](c1cc2ccccc2o1)N(C)Cc1cnc(N)s1 ZINC000261763704 1125742425 /nfs/dbraw/zinc/74/24/25/1125742425.db2.gz LSNNKZKVPDHVJY-SNVBAGLBSA-N 0 1 287.388 3.665 20 0 CHADMN COc1ccccc1[C@@H](N[C@H](C)C1CC1)c1ccco1 ZINC000090534629 1125742908 /nfs/dbraw/zinc/74/29/08/1125742908.db2.gz MGDPRVPMYBUHLZ-SJKOYZFVSA-N 0 1 271.360 3.766 20 0 CHADMN Cc1c(CN[C@@H](C)c2cc3cc(C)c(C)cc3o2)cnn1C ZINC000090888021 1125747323 /nfs/dbraw/zinc/74/73/23/1125747323.db2.gz DYSCKBAZGVVCMH-ZDUSSCGKSA-N 0 1 297.402 3.942 20 0 CHADMN C[C@H](Cc1nc(C2(N)CCCC2)no1)C1CCCCC1 ZINC000261854058 1125747557 /nfs/dbraw/zinc/74/75/57/1125747557.db2.gz TUZBMJGCTYHLBQ-GFCCVEGCSA-N 0 1 277.412 3.557 20 0 CHADMN C[C@H](c1ncc(-c2ccccc2)o1)N(C)CCCF ZINC000887138576 1125751421 /nfs/dbraw/zinc/75/14/21/1125751421.db2.gz BWTLTDUAZQBWFH-GFCCVEGCSA-N 0 1 262.328 3.694 20 0 CHADMN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)CCCF ZINC000887135929 1125752596 /nfs/dbraw/zinc/75/25/96/1125752596.db2.gz CCHZWBOVVPAPIG-ZIAGYGMSSA-N 0 1 294.414 3.819 20 0 CHADMN COCCc1nc(C)c([C@@H](C)NCc2ccsc2)s1 ZINC000092739093 1125760711 /nfs/dbraw/zinc/76/07/11/1125760711.db2.gz RZGGRTZANGAYSI-SNVBAGLBSA-N 0 1 296.461 3.553 20 0 CHADMN C[C@H](N[C@@H]1CCCOc2ccccc21)c1cccnc1 ZINC000092743698 1125761308 /nfs/dbraw/zinc/76/13/08/1125761308.db2.gz ZHWHAAVJJHCHQH-XJKSGUPXSA-N 0 1 268.360 3.646 20 0 CHADMN Cc1cccnc1CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000093158001 1125763806 /nfs/dbraw/zinc/76/38/06/1125763806.db2.gz LITZPKYZKQTWKD-GFCCVEGCSA-N 0 1 276.330 3.861 20 0 CHADMN c1ncc(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)[nH]1 ZINC000093105487 1125765026 /nfs/dbraw/zinc/76/50/26/1125765026.db2.gz VEGZLJZWMQCHGC-QGZVFWFLSA-N 0 1 280.375 3.618 20 0 CHADMN COc1ccccc1CN(C)[C@H](C)c1cccc(O)c1 ZINC000093316043 1125766323 /nfs/dbraw/zinc/76/63/23/1125766323.db2.gz SMNCXRSZEFBPAE-CYBMUJFWSA-N 0 1 271.360 3.594 20 0 CHADMN CCN(Cc1ccccn1)Cc1ccc(F)cc1C ZINC000093338819 1125767304 /nfs/dbraw/zinc/76/73/04/1125767304.db2.gz ZDRFYRUYPXBFIK-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN CCCCN(C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000093353073 1125768752 /nfs/dbraw/zinc/76/87/52/1125768752.db2.gz ZRURJUHLIKHBMR-UHFFFAOYSA-N 0 1 296.321 3.764 20 0 CHADMN Clc1ccc([C@@H]2CCN2CCC[C@@H]2CCO2)cc1 ZINC000638124741 1129244772 /nfs/dbraw/zinc/24/47/72/1129244772.db2.gz UYQWPDAWDCSVRH-CABCVRRESA-N 0 1 265.784 3.656 20 0 CHADMN FC(F)Oc1cccc([C@@H]2CN(C3CCCC3)CCO2)c1 ZINC000093865569 1125774055 /nfs/dbraw/zinc/77/40/55/1125774055.db2.gz SRQVUISYVMHSMJ-HNNXBMFYSA-N 0 1 297.345 3.604 20 0 CHADMN COc1ccncc1CN[C@@H](C)c1cc(C)sc1C ZINC000287743601 1125786043 /nfs/dbraw/zinc/78/60/43/1125786043.db2.gz LFQOOTVFTVHYTC-NSHDSACASA-N 0 1 276.405 3.619 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CCCC[C@H]1C ZINC001238696933 1131232751 /nfs/dbraw/zinc/23/27/51/1131232751.db2.gz JEBCLQBAXFOOHC-CYBMUJFWSA-N 0 1 265.372 3.987 20 0 CHADMN CCCO[C@@H]1CCN(Cc2ccc(F)cc2OC(C)C)C1 ZINC001238696869 1131232897 /nfs/dbraw/zinc/23/28/97/1131232897.db2.gz LVGWSXSHYPPSQR-MRXNPFEDSA-N 0 1 295.398 3.614 20 0 CHADMN CCC1(CC)CCC(NC(=O)c2oc(CN)cc2C)CC1 ZINC000638292791 1129252302 /nfs/dbraw/zinc/25/23/02/1129252302.db2.gz WSIOWNWBYWXJEW-UHFFFAOYSA-N 0 1 292.423 3.526 20 0 CHADMN C[C@H](NC(=O)C=C1CCC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000087278806 1129179303 /nfs/dbraw/zinc/17/93/03/1129179303.db2.gz ADIRUIOJQIWVGA-VIFPVBQESA-N 0 1 289.766 3.504 20 0 CHADMN C[C@@H]([NH2+]Cc1ccco1)c1cc(Br)ccc1[O-] ZINC000184843098 1129255721 /nfs/dbraw/zinc/25/57/21/1129255721.db2.gz TUIROWBFZWVIGA-SECBINFHSA-N 0 1 296.164 3.599 20 0 CHADMN Cc1csc(CN2CCC3(CCSCC3)CC2)n1 ZINC000639374791 1129308070 /nfs/dbraw/zinc/30/80/70/1129308070.db2.gz KNZTZKXURUOTKF-UHFFFAOYSA-N 0 1 282.478 3.561 20 0 CHADMN CC1(C)CN(CCCOCC(F)(F)F)[C@H]1c1ccco1 ZINC000639927914 1129340958 /nfs/dbraw/zinc/34/09/58/1129340958.db2.gz UNVITNFJZSIRSG-LBPRGKRZSA-N 0 1 291.313 3.632 20 0 CHADMN CCOc1ccc(C)c(CN2CC3(C2)CC(F)(F)C3)c1 ZINC001238703290 1131234443 /nfs/dbraw/zinc/23/44/43/1131234443.db2.gz BWOOLSMJUXAXOD-UHFFFAOYSA-N 0 1 281.346 3.625 20 0 CHADMN CCc1nc(C)c(CN2C[C@@H](C(F)(F)F)CC[C@H]2C)o1 ZINC000644682385 1129474643 /nfs/dbraw/zinc/47/46/43/1129474643.db2.gz UHQDHYXEDPPRRS-KOLCDFICSA-N 0 1 290.329 3.708 20 0 CHADMN CSc1cc(C)ccc1CN[C@H](C)c1c[nH]nc1C ZINC000180756055 1129512582 /nfs/dbraw/zinc/51/25/82/1129512582.db2.gz PDNATDWOWWBFMB-LLVKDONJSA-N 0 1 275.421 3.599 20 0 CHADMN Cc1cc(-n2[nH]c(C3CC3)cc2=O)ccc1Br ZINC001245910424 1131234998 /nfs/dbraw/zinc/23/49/98/1131234998.db2.gz HMACLODCMINKBS-UHFFFAOYSA-N 0 1 293.164 3.526 20 0 CHADMN CC1CCC(N(Cc2cc(Cl)n(C)n2)C2CC2)CC1 ZINC001459309348 1129627445 /nfs/dbraw/zinc/62/74/45/1129627445.db2.gz DPRDKLIWHRUPTE-UHFFFAOYSA-N 0 1 281.831 3.617 20 0 CHADMN Clc1ccc(Cl)c(OCCN2C3CCC2CC3)c1 ZINC000635902667 1129193471 /nfs/dbraw/zinc/19/34/71/1129193471.db2.gz NUCYDLAYEQBLBW-UHFFFAOYSA-N 0 1 286.202 3.999 20 0 CHADMN CCCC[C@@H](NCc1snnc1C)c1ccccc1 ZINC000293692507 1129193993 /nfs/dbraw/zinc/19/39/93/1129193993.db2.gz NVIFDAOUWDPLQY-CQSZACIVSA-N 0 1 275.421 3.868 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CC[C@]2(CC2(F)F)C1 ZINC000649902861 1129685334 /nfs/dbraw/zinc/68/53/34/1129685334.db2.gz GNRCFJLCBLIDOZ-RNCFNFMXSA-N 0 1 273.273 3.757 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1ccc(C)s1 ZINC000769874373 1129930439 /nfs/dbraw/zinc/93/04/39/1129930439.db2.gz KCTSQCXHSDGCLJ-JTQLQIEISA-N 0 1 264.394 3.766 20 0 CHADMN CCC[C@H](C[N@H+](CC(=O)[O-])CC(C)C)c1ccccc1 ZINC000901589730 1129938194 /nfs/dbraw/zinc/93/81/94/1129938194.db2.gz WFBPENKRFBKFRP-MRXNPFEDSA-N 0 1 277.408 3.613 20 0 CHADMN CCCCn1nc(C)c(CN2CC[C@H](C)[C@H]2C)c1Cl ZINC000770283756 1129943005 /nfs/dbraw/zinc/94/30/05/1129943005.db2.gz LAPWPWNZJHTHCN-WCQYABFASA-N 0 1 283.847 3.875 20 0 CHADMN CCc1nc([C@@H](C)NCCSC(C)(C)C)cs1 ZINC000801941003 1129961802 /nfs/dbraw/zinc/96/18/02/1129961802.db2.gz HCKYFOISHPJMQU-SNVBAGLBSA-N 0 1 272.483 3.888 20 0 CHADMN CCOc1cc(CN2CCCC3(CCCC3)C2)c(F)cn1 ZINC001238722603 1131236997 /nfs/dbraw/zinc/23/69/97/1131236997.db2.gz ARHWBVQHKCCYST-UHFFFAOYSA-N 0 1 292.398 3.776 20 0 CHADMN CCc1cc(CN[C@H](C)c2csc(Cl)c2)[nH]n1 ZINC000786913475 1130121286 /nfs/dbraw/zinc/12/12/86/1130121286.db2.gz YGFXZKALHNSNJJ-MRVPVSSYSA-N 0 1 269.801 3.538 20 0 CHADMN CCN(Cc1ccc(Cl)nc1C(F)(F)F)C1CC1 ZINC000787169490 1130136099 /nfs/dbraw/zinc/13/60/99/1130136099.db2.gz PDWGKEDZTUYETR-UHFFFAOYSA-N 0 1 278.705 3.738 20 0 CHADMN CSc1ncc(C)cc1CN1CC2(C1)CCCCC2 ZINC001238717977 1131237292 /nfs/dbraw/zinc/23/72/92/1131237292.db2.gz HAGNMCJGHSYDDC-UHFFFAOYSA-N 0 1 276.449 3.878 20 0 CHADMN Clc1ccncc1-c1ccc(C2=NCCC2)cc1 ZINC001243043042 1130182531 /nfs/dbraw/zinc/18/25/31/1130182531.db2.gz LLPVOOVVFRXIBE-UHFFFAOYSA-N 0 1 256.736 3.985 20 0 CHADMN CCCCC(N)=NOCC[C@@H](C)OCc1ccccc1 ZINC000788788589 1130211821 /nfs/dbraw/zinc/21/18/21/1130211821.db2.gz WXQLDKMOXNBHQQ-CQSZACIVSA-N 0 1 278.396 3.670 20 0 CHADMN CO[C@H](C)c1nc(CN[C@@H]2CC[C@@H]2C2CCC2)cs1 ZINC000337986181 1126705921 /nfs/dbraw/zinc/70/59/21/1126705921.db2.gz BCRJQCFNCPVMSN-LERXQTSPSA-N 0 1 280.437 3.519 20 0 CHADMN C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1coc2ccccc12 ZINC000924766895 1126707366 /nfs/dbraw/zinc/70/73/66/1126707366.db2.gz SYNNGLKRPGHBGW-JLBUNGTFSA-N 0 1 293.366 3.742 20 0 CHADMN C[C@H](N[C@@H](C)c1ccncc1F)c1cccs1 ZINC000338012503 1126709534 /nfs/dbraw/zinc/70/95/34/1126709534.db2.gz BDPILGUXNBUSID-UWVGGRQHSA-N 0 1 250.342 3.694 20 0 CHADMN COc1cccc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000481727705 1126709891 /nfs/dbraw/zinc/70/98/91/1126709891.db2.gz JFEFUWKYNGKELW-FZMZJTMJSA-N 0 1 287.325 3.858 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1cccc(F)c1 ZINC000481752734 1126712422 /nfs/dbraw/zinc/71/24/22/1126712422.db2.gz WKBLSFMAGVNUJI-MFKMUULPSA-N 0 1 275.289 3.989 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@@H](C)c2ccncc2F)s1 ZINC000338021633 1126711243 /nfs/dbraw/zinc/71/12/43/1126711243.db2.gz QVWBCILIRWFLPS-DTWKUNHWSA-N 0 1 279.384 3.706 20 0 CHADMN Cc1ncc(CN2CC=C(c3cc(C)cc(C)c3)CC2)n1C ZINC000667958876 1126717627 /nfs/dbraw/zinc/71/76/27/1126717627.db2.gz XRNYTNWTUWRVQB-UHFFFAOYSA-N 0 1 295.430 3.635 20 0 CHADMN Clc1cccc(C2(NCc3cncs3)CC2)c1 ZINC000136204310 1126724446 /nfs/dbraw/zinc/72/44/46/1126724446.db2.gz NJXQPOPHTLJGHI-UHFFFAOYSA-N 0 1 264.781 3.575 20 0 CHADMN CC(C)c1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(Cl)n1 ZINC001238722176 1131237642 /nfs/dbraw/zinc/23/76/42/1131237642.db2.gz LPRROJLBKGUQRL-AVGNSLFASA-N 0 1 282.790 3.648 20 0 CHADMN Cc1nc([C@H]2CCCCN2Cc2c(C)cc(C)cc2C)n[nH]1 ZINC000338316043 1126733669 /nfs/dbraw/zinc/73/36/69/1126733669.db2.gz HBHGSYAVIMKTJF-QGZVFWFLSA-N 0 1 298.434 3.766 20 0 CHADMN CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000481911525 1126733839 /nfs/dbraw/zinc/73/38/39/1126733839.db2.gz RAJIJFMGVIVZKA-YMTOWFKASA-N 0 1 285.746 3.805 20 0 CHADMN Cc1nc([C@@H]2CCCCN2Cc2c(C)cc(C)cc2C)n[nH]1 ZINC000338316042 1126734076 /nfs/dbraw/zinc/73/40/76/1126734076.db2.gz HBHGSYAVIMKTJF-KRWDZBQOSA-N 0 1 298.434 3.766 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cnccc2C)c(F)c1 ZINC000631105485 1126734094 /nfs/dbraw/zinc/73/40/94/1126734094.db2.gz LSOQWBBWMVQVEL-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN CCC1(CC)CCCN(Cc2ncnn2C(C)(C)C)CC1 ZINC000338343091 1126736420 /nfs/dbraw/zinc/73/64/20/1126736420.db2.gz IEKZVRCOHHIZSQ-UHFFFAOYSA-N 0 1 292.471 3.825 20 0 CHADMN COc1c(Br)cccc1CN1[C@H](C)CC[C@@H]1C ZINC000482003423 1126737048 /nfs/dbraw/zinc/73/70/48/1126737048.db2.gz FDNOQDGYFIROAI-PHIMTYICSA-N 0 1 298.224 3.831 20 0 CHADMN C[C@H]1CC[C@@H](N2CCc3cc(Br)ccc3C2)C1 ZINC001170132927 1130307332 /nfs/dbraw/zinc/30/73/32/1130307332.db2.gz PCUJVAHXNGFYCA-XHDPSFHLSA-N 0 1 294.236 3.996 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1cc(OCC)ncc1F ZINC001238727571 1131237945 /nfs/dbraw/zinc/23/79/45/1131237945.db2.gz KVRZCDYOEBWZSR-CQSZACIVSA-N 0 1 280.387 3.774 20 0 CHADMN Cc1cc2[nH]c(CN3CCSC[C@H]3C)cc2c(C)c1 ZINC000482022642 1126740078 /nfs/dbraw/zinc/74/00/78/1126740078.db2.gz SJSYADKLOXBJDC-CYBMUJFWSA-N 0 1 274.433 3.722 20 0 CHADMN Cc1cnc([C@H](C)NCCO[C@@H]2CCCC[C@@H]2C)s1 ZINC000348498353 1126742010 /nfs/dbraw/zinc/74/20/10/1126742010.db2.gz TUFJWGPETPSHKN-FPMFFAJLSA-N 0 1 282.453 3.697 20 0 CHADMN FC(F)[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000677732404 1130326895 /nfs/dbraw/zinc/32/68/95/1130326895.db2.gz NGWWTEGLEOFPEI-SNVBAGLBSA-N 0 1 279.252 3.792 20 0 CHADMN Oc1ccc([C@H]2CCCN2Cc2nc3ccccc3o2)cc1 ZINC000138859027 1126746561 /nfs/dbraw/zinc/74/65/61/1126746561.db2.gz MZZVLKSRFPWNDJ-MRXNPFEDSA-N 0 1 294.354 3.871 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2cccc(-n3cccn3)c2)o1 ZINC000150898237 1126747458 /nfs/dbraw/zinc/74/74/58/1126747458.db2.gz PPFKLXFISSOKAY-AWEZNQCLSA-N 0 1 295.386 3.879 20 0 CHADMN C[C@@H](NC1CCC(F)(F)CC1)c1nc(C(C)(C)C)no1 ZINC000677742995 1130328429 /nfs/dbraw/zinc/32/84/29/1130328429.db2.gz XQMVQAYSYXBUCB-SECBINFHSA-N 0 1 287.354 3.596 20 0 CHADMN C[C@@H]1CCCN1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000151177227 1126751599 /nfs/dbraw/zinc/75/15/99/1126751599.db2.gz WFSQUJJKPJOCJE-SECBINFHSA-N 0 1 284.281 3.831 20 0 CHADMN CN(CCOc1ccccc1C(C)(C)C)Cc1ccncc1 ZINC000482457303 1126756709 /nfs/dbraw/zinc/75/67/09/1126756709.db2.gz URWSFPSLUNSHQY-UHFFFAOYSA-N 0 1 298.430 3.890 20 0 CHADMN CC1=C(C)CN(Cc2cnc(-c3ccco3)s2)CC1 ZINC000482437241 1126756936 /nfs/dbraw/zinc/75/69/36/1126756936.db2.gz CUWJSIHWTPSPJN-UHFFFAOYSA-N 0 1 274.389 3.945 20 0 CHADMN CCc1ccccc1CNCc1nc(-c2ccccc2)c[nH]1 ZINC000194330447 1126758576 /nfs/dbraw/zinc/75/85/76/1126758576.db2.gz KHSGRDPORDXOTP-UHFFFAOYSA-N 0 1 291.398 3.929 20 0 CHADMN C=Cn1cc(CN[C@H]2CC(C)(C)Cc3oc(C)cc32)cn1 ZINC000194348442 1126759253 /nfs/dbraw/zinc/75/92/53/1126759253.db2.gz JNFLHIBVNWZVAH-HNNXBMFYSA-N 0 1 285.391 3.688 20 0 CHADMN C[C@@H]1CCSCCN1Cc1cccc(OC2CC2)c1F ZINC000668056238 1126759863 /nfs/dbraw/zinc/75/98/63/1126759863.db2.gz XGNWWPPPZGRXIF-GFCCVEGCSA-N 0 1 295.423 3.694 20 0 CHADMN C[C@H](NCc1ccccc1OCC1CC1)c1ccncc1 ZINC000174120017 1126766746 /nfs/dbraw/zinc/76/67/46/1126766746.db2.gz VUYKBGLVIHMFRE-AWEZNQCLSA-N 0 1 282.387 3.721 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N1CCOC3(CCCCC3)C1)CC2 ZINC000483086866 1126767007 /nfs/dbraw/zinc/76/70/07/1126767007.db2.gz IRGQVZDFPLHDFB-KRWDZBQOSA-N 0 1 289.394 3.848 20 0 CHADMN C[N@@H+](Cc1ncc(C(C)(C)C)o1)[C@H]1CCC(C)(C)C1 ZINC000483108511 1126768695 /nfs/dbraw/zinc/76/86/95/1126768695.db2.gz TXNLUWLZGIKDKK-LBPRGKRZSA-N 0 1 264.413 3.983 20 0 CHADMN CN(Cc1ncc(C(C)(C)C)o1)[C@H]1CCC(C)(C)C1 ZINC000483108511 1126768696 /nfs/dbraw/zinc/76/86/96/1126768696.db2.gz TXNLUWLZGIKDKK-LBPRGKRZSA-N 0 1 264.413 3.983 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2nnc(C)o2)CC[C@@H]1c1ccccc1 ZINC000174889717 1126774421 /nfs/dbraw/zinc/77/44/21/1126774421.db2.gz BVLYNHCRDRZXKB-LXZKKBNFSA-N 0 1 299.418 3.955 20 0 CHADMN Cc1ccncc1CNCc1ccccc1OC(F)(F)F ZINC000162651014 1126783968 /nfs/dbraw/zinc/78/39/68/1126783968.db2.gz WFAKDSDQSCPRLX-UHFFFAOYSA-N 0 1 296.292 3.578 20 0 CHADMN CN(Cc1nccn1C(F)F)C[C@@H]1CCCCC1(C)C ZINC000659837369 1126784811 /nfs/dbraw/zinc/78/48/11/1126784811.db2.gz DCUWGSIPXYPCGA-LBPRGKRZSA-N 0 1 285.382 3.926 20 0 CHADMN CCCC[N@@H+](CC)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000483432742 1126785120 /nfs/dbraw/zinc/78/51/20/1126785120.db2.gz QGOVYUOPPSUOIW-UHFFFAOYSA-N 0 1 291.370 3.806 20 0 CHADMN CCCCN(CC)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000483432742 1126785123 /nfs/dbraw/zinc/78/51/23/1126785123.db2.gz QGOVYUOPPSUOIW-UHFFFAOYSA-N 0 1 291.370 3.806 20 0 CHADMN CC[C@@H](C[N@@H+]([C@@H](C)C(=O)OC)C1CCC1)c1ccccc1 ZINC000483430939 1126785564 /nfs/dbraw/zinc/78/55/64/1126785564.db2.gz YVGIJLSQUJGPIU-GJZGRUSLSA-N 0 1 289.419 3.596 20 0 CHADMN CC[C@@H](CN([C@@H](C)C(=O)OC)C1CCC1)c1ccccc1 ZINC000483430939 1126785566 /nfs/dbraw/zinc/78/55/66/1126785566.db2.gz YVGIJLSQUJGPIU-GJZGRUSLSA-N 0 1 289.419 3.596 20 0 CHADMN C[C@@H]1CCN(CCSc2ccc(F)cc2)C[C@@H]1F ZINC000679225766 1130505481 /nfs/dbraw/zinc/50/54/81/1130505481.db2.gz YEZCGBJJCSQFFK-RISCZKNCSA-N 0 1 271.376 3.598 20 0 CHADMN CN(CCC1CCOCC1)Cc1nc2ccccc2s1 ZINC000177031105 1126796696 /nfs/dbraw/zinc/79/66/96/1126796696.db2.gz QHTXPGMDLHJIIX-UHFFFAOYSA-N 0 1 290.432 3.545 20 0 CHADMN FC(F)[C@H]1CCN(Cc2cccc(Br)c2)C1 ZINC000679320355 1130512476 /nfs/dbraw/zinc/51/24/76/1130512476.db2.gz RUEVFWRUQMEKIA-JTQLQIEISA-N 0 1 290.151 3.536 20 0 CHADMN CO[C@H]1CCCC[C@H]1NCc1csc(CCC(C)C)n1 ZINC000483722559 1126798749 /nfs/dbraw/zinc/79/87/49/1126798749.db2.gz HVGATYJHEIWDQY-CABCVRRESA-N 0 1 296.480 3.779 20 0 CHADMN C[C@@H](N(C)Cc1nccn1Cc1ccccc1)C1(C)CC1 ZINC000177230115 1126798903 /nfs/dbraw/zinc/79/89/03/1126798903.db2.gz ZFGHFRYUFJGACW-OAHLLOKOSA-N 0 1 283.419 3.552 20 0 CHADMN CCC[C@H](NCc1cc[nH]c1)c1ccc(F)cc1F ZINC000177179560 1126798915 /nfs/dbraw/zinc/79/89/15/1126798915.db2.gz SOKGOOLRHFRRPX-HNNXBMFYSA-N 0 1 264.319 3.924 20 0 CHADMN COc1cc([C@H](C)NCc2cc3ccccc3s2)on1 ZINC000924789428 1126802366 /nfs/dbraw/zinc/80/23/66/1126802366.db2.gz TXXIQNKGMCYRIV-JTQLQIEISA-N 0 1 288.372 3.749 20 0 CHADMN CCCN1CCC[C@H]1c1nc(-c2ccc(F)c(C)c2)no1 ZINC000483829725 1126802787 /nfs/dbraw/zinc/80/27/87/1126802787.db2.gz GHABMXUPKFOZLE-AWEZNQCLSA-N 0 1 289.354 3.731 20 0 CHADMN CC(C)c1noc(CN2CC[C@@H](c3ccccc3)[C@H]2C)n1 ZINC000177550100 1126802837 /nfs/dbraw/zinc/80/28/37/1126802837.db2.gz YWASNORFNRDSJP-UKRRQHHQSA-N 0 1 285.391 3.571 20 0 CHADMN Cc1ncc(CN2CC3(CC=CC3)[C@H]2c2ccccc2)n1C ZINC000668277362 1126803895 /nfs/dbraw/zinc/80/38/95/1126803895.db2.gz FQMABQDYRFHOFZ-GOSISDBHSA-N 0 1 293.414 3.622 20 0 CHADMN C[C@@H](NCc1ccc(N2CCCC2)nc1)c1ccsc1 ZINC000177886051 1126806793 /nfs/dbraw/zinc/80/67/93/1126806793.db2.gz ZXEHAFDEKUUPOH-CYBMUJFWSA-N 0 1 287.432 3.594 20 0 CHADMN Cc1c([C@@H](C)N[C@H](C)c2ccc3ccccc3n2)cnn1C ZINC000177963810 1126807981 /nfs/dbraw/zinc/80/79/81/1126807981.db2.gz XURJKOUCZZQADL-CHWSQXEVSA-N 0 1 294.402 3.689 20 0 CHADMN Cc1c([C@@H](C)N[C@@H](C)c2cc(F)c(F)c(F)c2)cnn1C ZINC000177960020 1126808037 /nfs/dbraw/zinc/80/80/37/1126808037.db2.gz DAOAWUMZLKICME-DTWKUNHWSA-N 0 1 297.324 3.558 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccc(-n3cccn3)cc2)o1 ZINC000178090697 1126808260 /nfs/dbraw/zinc/80/82/60/1126808260.db2.gz VHJCGZUKGOGRRO-CQSZACIVSA-N 0 1 295.386 3.879 20 0 CHADMN COc1cc(CN2C[C@@H]3CCCC[C@@H]32)cc(Cl)c1OC ZINC000668299324 1126808947 /nfs/dbraw/zinc/80/89/47/1126808947.db2.gz ALYSQWVMASGFPS-JSGCOSHPSA-N 0 1 295.810 3.732 20 0 CHADMN CCC[C@H](NC1CSC1)c1ccc(F)cc1F ZINC000679627696 1130547254 /nfs/dbraw/zinc/54/72/54/1130547254.db2.gz SJDUUYDNYCXUIP-ZDUSSCGKSA-N 0 1 257.349 3.511 20 0 CHADMN C[C@H](O)c1ccc(CN[C@@H](C)c2cccnc2Cl)cc1 ZINC000178547953 1126816495 /nfs/dbraw/zinc/81/64/95/1126816495.db2.gz IQJXFPATNDODNE-RYUDHWBXSA-N 0 1 290.794 3.639 20 0 CHADMN CO[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000679951564 1130563880 /nfs/dbraw/zinc/56/38/80/1130563880.db2.gz PHEGBTNWOIIXDT-GFCCVEGCSA-N 0 1 288.218 3.994 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(-c2nccc3ccccc32)no1 ZINC000904083743 1126827794 /nfs/dbraw/zinc/82/77/94/1126827794.db2.gz BJDDULAMYPQZCU-AWEZNQCLSA-N 0 1 296.374 3.591 20 0 CHADMN C[C@H]1CCCCCN1Cc1c(Cl)nccc1N(C)C ZINC001234133789 1130611274 /nfs/dbraw/zinc/61/12/74/1130611274.db2.gz OGNDFKQGOPGBNE-LBPRGKRZSA-N 0 1 281.831 3.566 20 0 CHADMN Cc1ccc(-c2noc([C@@H]3CC[C@H]4CCCC[C@@H]4N3)n2)o1 ZINC000904108486 1126829418 /nfs/dbraw/zinc/82/94/18/1126829418.db2.gz VYFYGZNEZPDGIX-AGIUHOORSA-N 0 1 287.363 3.621 20 0 CHADMN FC(F)(F)[C@H]1CCCN(CC2=Cc3ccccc3OC2)C1 ZINC000179621761 1126830312 /nfs/dbraw/zinc/83/03/12/1126830312.db2.gz XHECWBYKCCIXSZ-AWEZNQCLSA-N 0 1 297.320 3.737 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccccn2)c(C)s1 ZINC000179650870 1126831545 /nfs/dbraw/zinc/83/15/45/1126831545.db2.gz UMIHOLYSBAFLEL-LBPRGKRZSA-N 0 1 260.406 3.953 20 0 CHADMN Cc1ccc(CCN[C@@H](c2nc(C3CC3)no2)C(C)C)cc1 ZINC000179835648 1126835079 /nfs/dbraw/zinc/83/50/79/1126835079.db2.gz VCAOJTBKCKVOHT-MRXNPFEDSA-N 0 1 299.418 3.785 20 0 CHADMN O=C(C=C1CCC1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179862166 1126835711 /nfs/dbraw/zinc/83/57/11/1126835711.db2.gz XIIBMXKSJUUYOW-UHFFFAOYSA-N 0 1 277.274 3.549 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cnn3ccccc23)cc1 ZINC000179937832 1126837011 /nfs/dbraw/zinc/83/70/11/1126837011.db2.gz QKJYEFFGFCHIIK-CQSZACIVSA-N 0 1 295.386 3.536 20 0 CHADMN Cc1ccccc1CN(Cc1cccnc1)C1CC1 ZINC000180275374 1126841506 /nfs/dbraw/zinc/84/15/06/1126841506.db2.gz YZXXYMJGVZAPBX-UHFFFAOYSA-N 0 1 252.361 3.555 20 0 CHADMN C[C@@H](NC1(c2ccc(Cl)cc2)CCC1)c1cnn(C)c1 ZINC000180356473 1126842465 /nfs/dbraw/zinc/84/24/65/1126842465.db2.gz HXECHSDOZALKNB-GFCCVEGCSA-N 0 1 289.810 3.804 20 0 CHADMN C[C@H](NC1(c2ccccc2)CCC1)c1ccccn1 ZINC000180344723 1126842855 /nfs/dbraw/zinc/84/28/55/1126842855.db2.gz FGCYQYGDWOBXAE-AWEZNQCLSA-N 0 1 252.361 3.812 20 0 CHADMN CC(C)c1ccc([C@@H]2CCCN2Cc2ccc(N)nn2)cc1 ZINC000904326994 1126845437 /nfs/dbraw/zinc/84/54/37/1126845437.db2.gz WBUYUYBCPFJYAU-KRWDZBQOSA-N 0 1 296.418 3.519 20 0 CHADMN C[NH+](C)Cc1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000293621199 1129211169 /nfs/dbraw/zinc/21/11/69/1129211169.db2.gz QHDMWPOMXPBRDE-UHFFFAOYSA-N 0 1 290.794 3.719 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2ccccc2C2CCC2)n1 ZINC000904500802 1126854038 /nfs/dbraw/zinc/85/40/38/1126854038.db2.gz QMVGYVBOQUABLE-CQSZACIVSA-N 0 1 271.364 3.660 20 0 CHADMN CC(C)Cc1noc(CN[C@H](C)[C@H](C)c2ccccc2)n1 ZINC000181523405 1126856582 /nfs/dbraw/zinc/85/65/82/1126856582.db2.gz CULFAEMNFIMIBN-UONOGXRCSA-N 0 1 287.407 3.550 20 0 CHADMN CC[C@@H](Cc1ccccc1)[N@@H+](CC)CCCCC(=O)[O-] ZINC000181571129 1126857432 /nfs/dbraw/zinc/85/74/32/1126857432.db2.gz VHDKRKRDYHEOEU-INIZCTEOSA-N 0 1 277.408 3.585 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCCCC(=O)[O-] ZINC000181570789 1126857683 /nfs/dbraw/zinc/85/76/83/1126857683.db2.gz SAUXUZNRLBSDDY-INIZCTEOSA-N 0 1 277.408 3.503 20 0 CHADMN C[N@@H+](CCCCC(=O)[O-])Cc1cccc2ccccc21 ZINC000181543235 1126857799 /nfs/dbraw/zinc/85/77/99/1126857799.db2.gz SRECEJXFOUNAPQ-UHFFFAOYSA-N 0 1 271.360 3.527 20 0 CHADMN Cc1[nH]ncc1CNc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000181842237 1126861963 /nfs/dbraw/zinc/86/19/63/1126861963.db2.gz PSKKQKUDTIJFPZ-UHFFFAOYSA-N 0 1 295.333 3.786 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1ccc(Cl)cn1)CC2 ZINC000182120162 1126866241 /nfs/dbraw/zinc/86/62/41/1126866241.db2.gz SPCFXTWOSDJDED-INIZCTEOSA-N 0 1 288.778 3.521 20 0 CHADMN CC[C@H](NCc1ccc(Cl)cn1)c1ccc(OC)cc1 ZINC000182126598 1126866251 /nfs/dbraw/zinc/86/62/51/1126866251.db2.gz CVADBZGMDOQMTB-INIZCTEOSA-N 0 1 290.794 3.985 20 0 CHADMN Cc1nc2c(s1)[C@H](NCc1ccc(Cl)cn1)CCC2 ZINC000182113320 1126866263 /nfs/dbraw/zinc/86/62/63/1126866263.db2.gz SEOMWVYNLCLGGC-GFCCVEGCSA-N 0 1 293.823 3.667 20 0 CHADMN C[C@@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000182157369 1126867290 /nfs/dbraw/zinc/86/72/90/1126867290.db2.gz CZSGORJYMKJCLW-FUEDEBDSSA-N 0 1 293.313 3.739 20 0 CHADMN CN(C)Cc1ccc(-c2cccc(CO)c2Cl)cc1F ZINC000904759569 1126869747 /nfs/dbraw/zinc/86/97/47/1126869747.db2.gz GMSGXJZESSMGOV-UHFFFAOYSA-N 0 1 293.769 3.700 20 0 CHADMN CC(C)Cc1ccc([C@H](C)NCc2n[nH]c(C3CC3)n2)cc1 ZINC000182670816 1126875712 /nfs/dbraw/zinc/87/57/12/1126875712.db2.gz HZCYYTOGUQYKRT-ZDUSSCGKSA-N 0 1 298.434 3.731 20 0 CHADMN CN1CC[C@@H](Oc2cc(F)cc(C(F)(F)F)c2Cl)C1 ZINC001234953765 1130696395 /nfs/dbraw/zinc/69/63/95/1130696395.db2.gz VQZLDGYXTARAQX-MRVPVSSYSA-N 0 1 297.679 3.581 20 0 CHADMN CCN(Cc1ccccc1C)[C@@H](C)C(=O)NC(C)(C)CC ZINC000485152487 1126891123 /nfs/dbraw/zinc/89/11/23/1126891123.db2.gz ZOGOVSFPUPKEES-HNNXBMFYSA-N 0 1 290.451 3.510 20 0 CHADMN Cc1oc2ccccc2c1CNCc1cnn(C(C)C)c1 ZINC000183911579 1126893566 /nfs/dbraw/zinc/89/35/66/1126893566.db2.gz AANONHVVCMDUQR-UHFFFAOYSA-N 0 1 283.375 3.808 20 0 CHADMN Cc1cccc(CCC[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000905368812 1126898664 /nfs/dbraw/zinc/89/86/64/1126898664.db2.gz BVCYAPHYEHNFNJ-GOSISDBHSA-N 0 1 297.398 3.685 20 0 CHADMN C[N@@H+](CCCC1CCCC1)[C@H](C(=O)[O-])c1ccccc1 ZINC000905369756 1126898697 /nfs/dbraw/zinc/89/86/97/1126898697.db2.gz OHJZMZGNOZQDCK-INIZCTEOSA-N 0 1 275.392 3.715 20 0 CHADMN Cc1ccccc1CCC[N@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000905370108 1126899577 /nfs/dbraw/zinc/89/95/77/1126899577.db2.gz QTMJPPAIAOETHR-SFHVURJKSA-N 0 1 297.398 3.685 20 0 CHADMN CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000185723927 1126902302 /nfs/dbraw/zinc/90/23/02/1126902302.db2.gz PLRVCGLWDLOVLB-UWVGGRQHSA-N 0 1 293.317 3.731 20 0 CHADMN C[C@@H](NCc1ccc(Cl)cc1F)c1cccc(CO)c1 ZINC000187578755 1126911971 /nfs/dbraw/zinc/91/19/71/1126911971.db2.gz DLEWKSJFRIUODL-LLVKDONJSA-N 0 1 293.769 3.822 20 0 CHADMN Clc1cccnc1CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC001118814497 1131238623 /nfs/dbraw/zinc/23/86/23/1131238623.db2.gz DGOBETXMDHEJBP-QWHCGFSZSA-N 0 1 264.800 3.747 20 0 CHADMN CCN(Cc1nccn1C(C)C)[C@H](C)Cc1ccsc1 ZINC000187786059 1126915069 /nfs/dbraw/zinc/91/50/69/1126915069.db2.gz DGAGDJOVOXUCTP-CQSZACIVSA-N 0 1 291.464 3.979 20 0 CHADMN CCN(C)[C@H](C(=O)N(CC)CC(C)(C)C)c1ccccc1 ZINC000485452588 1126915492 /nfs/dbraw/zinc/91/54/92/1126915492.db2.gz HPIAHCGESJGFPS-INIZCTEOSA-N 0 1 290.451 3.574 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H](C)c2nccnc2C)c1C ZINC000188019504 1126918458 /nfs/dbraw/zinc/91/84/58/1126918458.db2.gz QHHXBMGPTXUDGO-ZFWWWQNUSA-N 0 1 269.392 3.814 20 0 CHADMN CC[C@H](NCc1cccc(N(C)C)n1)c1cccc(F)c1 ZINC000188275047 1126922194 /nfs/dbraw/zinc/92/21/94/1126922194.db2.gz ITOGFIAIHZDXED-INIZCTEOSA-N 0 1 287.382 3.528 20 0 CHADMN CC[C@@H]1C[C@H](Nc2nccc(C)c2C2CC2)CCO1 ZINC000668512358 1126925221 /nfs/dbraw/zinc/92/52/21/1126925221.db2.gz QOYPUKBBMHBXIT-ZIAGYGMSSA-N 0 1 260.381 3.637 20 0 CHADMN Cc1cc(C)c(-c2cccc(/C=C/C(=O)[O-])c2)c(C)[nH+]1 ZINC001240552577 1126928064 /nfs/dbraw/zinc/92/80/64/1126928064.db2.gz JEOBMDLUPUXJDI-BQYQJAHWSA-N 0 1 267.328 3.772 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC([C@H]2CCCO2)CC1 ZINC000189242173 1126929434 /nfs/dbraw/zinc/92/94/34/1126929434.db2.gz FGPFEQPRZHDUMU-YVEFUNNKSA-N 0 1 295.373 3.917 20 0 CHADMN COc1cccc([C@@H]2CCC[N@H+]2Cc2cncc(C)c2)c1 ZINC000189751717 1126933986 /nfs/dbraw/zinc/93/39/86/1126933986.db2.gz XDBUCTNPZZBCCY-SFHVURJKSA-N 0 1 282.387 3.736 20 0 CHADMN Cc1cncc(Br)c1CN(C)C1CCCCC1 ZINC001235634919 1130760762 /nfs/dbraw/zinc/76/07/62/1130760762.db2.gz HESXNPOIGGTRCY-UHFFFAOYSA-N 0 1 297.240 3.917 20 0 CHADMN Cc1cncc(CNC(C)(C)c2ccc(F)c(F)c2)c1 ZINC000190001036 1126937554 /nfs/dbraw/zinc/93/75/54/1126937554.db2.gz BPLWUPREIZDJPT-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN Fc1ccc(Cl)cc1-c1cnc([C@H]2CCCCN2)nc1 ZINC000906207625 1126938720 /nfs/dbraw/zinc/93/87/20/1126938720.db2.gz YBINBCVEWSQMLZ-CQSZACIVSA-N 0 1 291.757 3.751 20 0 CHADMN Cc1ccc(F)cc1CN[C@H]1CCOc2c(F)cccc21 ZINC000191119295 1126947702 /nfs/dbraw/zinc/94/77/02/1126947702.db2.gz GTRRQDRYACNKPV-INIZCTEOSA-N 0 1 289.325 3.887 20 0 CHADMN CC(C)c1ccc([C@H](C)N2CCO[C@H](C3CC3)C2)cc1 ZINC000485831073 1126955608 /nfs/dbraw/zinc/95/56/08/1126955608.db2.gz NXHZCVYRRJDHFQ-KSSFIOAISA-N 0 1 273.420 3.982 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1cocn1 ZINC000191946701 1126956891 /nfs/dbraw/zinc/95/68/91/1126956891.db2.gz QGXQUUWXXUWJAW-NEPJUHHUSA-N 0 1 278.783 3.952 20 0 CHADMN Cc1noc(C)c1CN1CC=C(c2ccc(F)cc2)CC1 ZINC000192992436 1126965941 /nfs/dbraw/zinc/96/59/41/1126965941.db2.gz WAFSWKFTOOUAPO-UHFFFAOYSA-N 0 1 286.350 3.720 20 0 CHADMN COCc1cc(CNCc2cc(Cl)cs2)ccc1F ZINC000193094847 1126966466 /nfs/dbraw/zinc/96/64/66/1126966466.db2.gz GQLNCXZOSRKYQS-UHFFFAOYSA-N 0 1 299.798 3.977 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000193385159 1126968534 /nfs/dbraw/zinc/96/85/34/1126968534.db2.gz NUOCTLHGBUUAOH-UHFFFAOYSA-N 0 1 297.280 3.804 20 0 CHADMN C=Cn1cc(CNCc2ccc(C(C)(C)C)cc2)cn1 ZINC000194273324 1126973018 /nfs/dbraw/zinc/97/30/18/1126973018.db2.gz RWPOIXKTWHMCKX-UHFFFAOYSA-N 0 1 269.392 3.571 20 0 CHADMN Cc1cccc([C@H](NC[C@@H]2CCC=CO2)c2ccccn2)c1 ZINC000194534879 1126975723 /nfs/dbraw/zinc/97/57/23/1126975723.db2.gz CVANDGKQKZZFDR-HKUYNNGSSA-N 0 1 294.398 3.762 20 0 CHADMN CC[C@H](NCc1scnc1C)c1cc(F)ccc1F ZINC000266121928 1126980158 /nfs/dbraw/zinc/98/01/58/1126980158.db2.gz AFWRZFGOXFWYDT-ZDUSSCGKSA-N 0 1 282.359 3.971 20 0 CHADMN CCOc1c(Cl)cc(CN2CC[C@@H]3C[C@@H]3C2)cc1OC ZINC000668675938 1126999993 /nfs/dbraw/zinc/99/99/93/1126999993.db2.gz JYQOGXWWSZLEMH-CHWSQXEVSA-N 0 1 295.810 3.589 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1nc(CCCC)no1 ZINC000486777170 1127001492 /nfs/dbraw/zinc/00/14/92/1127001492.db2.gz QWRJIGZNIACCPZ-AWEZNQCLSA-N 0 1 279.428 3.957 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3cc[nH]c3C3CCC3)ccc12 ZINC000486934429 1127010173 /nfs/dbraw/zinc/01/01/73/1127010173.db2.gz BRXVCJGELITAJM-UHFFFAOYSA-N 0 1 294.358 3.719 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccc(F)cc3)C2)cs1 ZINC000268035462 1127010718 /nfs/dbraw/zinc/01/07/18/1127010718.db2.gz NSXDWXRMRMKQKT-CYBMUJFWSA-N 0 1 276.380 3.580 20 0 CHADMN CCc1noc(CC)c1CN[C@H]1CCc2c1cccc2F ZINC000268047402 1127010893 /nfs/dbraw/zinc/01/08/93/1127010893.db2.gz SMGIDCZKQUSBNY-INIZCTEOSA-N 0 1 288.366 3.716 20 0 CHADMN CC[C@H]1CCC[C@@H](NC(=O)c2sccc2CN(C)C)C1 ZINC000268098337 1127011691 /nfs/dbraw/zinc/01/16/91/1127011691.db2.gz KHJNBIZDCDIXMM-GXTWGEPZSA-N 0 1 294.464 3.508 20 0 CHADMN C[C@@H](CCC(C)(C)C)NC(=O)c1sccc1CN(C)C ZINC000268107968 1127012467 /nfs/dbraw/zinc/01/24/67/1127012467.db2.gz LRXPCVINSCAMJZ-LBPRGKRZSA-N 0 1 296.480 3.754 20 0 CHADMN O=C(C[C@@H]1CCCN1CCC(F)(F)F)c1cccs1 ZINC000268201148 1127014389 /nfs/dbraw/zinc/01/43/89/1127014389.db2.gz HVJGGVWRXWEISB-JTQLQIEISA-N 0 1 291.338 3.738 20 0 CHADMN C[C@H](NCCOC1CCCCC1)c1cccnc1Cl ZINC000268803438 1127024192 /nfs/dbraw/zinc/02/41/92/1127024192.db2.gz GVKPCYRMMAMUHH-LBPRGKRZSA-N 0 1 282.815 3.735 20 0 CHADMN CC(C)[C@@H]1CC[C@H]1NCc1c(F)c(F)cc(F)c1F ZINC000796827126 1130936308 /nfs/dbraw/zinc/93/63/08/1130936308.db2.gz PLBJBKKHWREYHB-QPUJVOFHSA-N 0 1 275.289 3.767 20 0 CHADMN CC[C@H](NCc1cn2cc(C)ccc2n1)c1ccccc1 ZINC000268944561 1127029545 /nfs/dbraw/zinc/02/95/45/1127029545.db2.gz WAZVYQWFFVDTPM-KRWDZBQOSA-N 0 1 279.387 3.884 20 0 CHADMN CCCC(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1 ZINC000909704070 1127034695 /nfs/dbraw/zinc/03/46/95/1127034695.db2.gz BSHLFCKQUBBUCE-UHFFFAOYSA-N 0 1 287.338 3.832 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(F)cn2)c(C)s1 ZINC000269007063 1127032511 /nfs/dbraw/zinc/03/25/11/1127032511.db2.gz LLVFBXIVFKFSPS-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN CCc1ccc([C@H](CO)NCc2cc(Cl)cs2)cc1 ZINC000487545447 1127032961 /nfs/dbraw/zinc/03/29/61/1127032961.db2.gz YVNBZWYCHMYFOP-HNNXBMFYSA-N 0 1 295.835 3.787 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H](C)N(C)c2ccccc2)cs1 ZINC000269396697 1127038543 /nfs/dbraw/zinc/03/85/43/1127038543.db2.gz FDHJXRAGUYXNCU-OLZOCXBDSA-N 0 1 289.448 3.627 20 0 CHADMN COc1ccc(CN(Cc2cnccc2C)C2CC2)cc1 ZINC000269397426 1127038784 /nfs/dbraw/zinc/03/87/84/1127038784.db2.gz CADXBHOHBLSZCE-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN CC(C)c1ocnc1CN1CC[C@@H](C)C(C)(C)C1 ZINC001320288982 1127043293 /nfs/dbraw/zinc/04/32/93/1127043293.db2.gz KEASNPVRYNBXPT-GFCCVEGCSA-N 0 1 250.386 3.666 20 0 CHADMN CC(=O)c1cc(CN(C)[C@H]2CCC[C@@H]2C(C)(C)C)on1 ZINC000653766498 1127046612 /nfs/dbraw/zinc/04/66/12/1127046612.db2.gz FEBSHCLJDUWZDK-ZFWWWQNUSA-N 0 1 278.396 3.524 20 0 CHADMN Cc1cc([C@@H](NCc2cncs2)C2CC2)ccc1F ZINC000270301075 1127052858 /nfs/dbraw/zinc/05/28/58/1127052858.db2.gz RYQKCWYXQOUECY-HNNXBMFYSA-N 0 1 276.380 3.832 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N1CCC[C@@H]1c1ccccc1 ZINC000198750726 1127054003 /nfs/dbraw/zinc/05/40/03/1127054003.db2.gz XQQNXUSTZKODGD-MRXNPFEDSA-N 0 1 291.354 3.540 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)cc1F)c1cccc(CO)c1 ZINC000270431865 1127054454 /nfs/dbraw/zinc/05/44/54/1127054454.db2.gz IHSZQSJNODIACD-VXGBXAGGSA-N 0 1 291.341 3.869 20 0 CHADMN COc1cc(C)nc(CN(C)[C@H](C)c2cccs2)c1 ZINC000270243279 1127051958 /nfs/dbraw/zinc/05/19/58/1127051958.db2.gz HZKPTIROXIJVSS-GFCCVEGCSA-N 0 1 276.405 3.653 20 0 CHADMN Cc1ccc(-c2ncc(CN[C@H](C)c3cn[nH]c3)s2)cc1 ZINC000270214346 1127051982 /nfs/dbraw/zinc/05/19/82/1127051982.db2.gz ONKMHBPXDWUAAT-GFCCVEGCSA-N 0 1 298.415 3.692 20 0 CHADMN Cc1ccccc1[C@@H]1CCN(Cc2ncc(C3CC3)o2)C1 ZINC000270518053 1127057013 /nfs/dbraw/zinc/05/70/13/1127057013.db2.gz CBRGJFZPHFOTLU-OAHLLOKOSA-N 0 1 282.387 3.850 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000270668249 1127059946 /nfs/dbraw/zinc/05/99/46/1127059946.db2.gz WWAIZEPGEJSIHQ-CJNGLKHVSA-N 0 1 282.387 3.930 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1ncc(C2CC2)o1 ZINC000270668249 1127059949 /nfs/dbraw/zinc/05/99/49/1127059949.db2.gz WWAIZEPGEJSIHQ-CJNGLKHVSA-N 0 1 282.387 3.930 20 0 CHADMN Cc1nc(CS[C@@H](C)c2ccc(Cl)cc2)n[nH]1 ZINC000488219170 1127062843 /nfs/dbraw/zinc/06/28/43/1127062843.db2.gz LXFQSLLXEUIMMP-QMMMGPOBSA-N 0 1 267.785 3.761 20 0 CHADMN C[C@@H]1CSCCN(Cc2cc(F)ccc2Cl)C1 ZINC000488219733 1127062858 /nfs/dbraw/zinc/06/28/58/1127062858.db2.gz MWZYRELSFIDDDK-JTQLQIEISA-N 0 1 273.804 3.664 20 0 CHADMN O[C@@H]1CCC[C@H](CSc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000488230246 1127063626 /nfs/dbraw/zinc/06/36/26/1127063626.db2.gz KKLNJBXSNWNSLN-GXSJLCMTSA-N 0 1 296.823 3.860 20 0 CHADMN Cn1cccc1[C@H]1CCC[N@H+]1Cc1cnc2ccccc2c1 ZINC000271025146 1127064307 /nfs/dbraw/zinc/06/43/07/1127064307.db2.gz DSTLSQONEXFJMS-LJQANCHMSA-N 0 1 291.398 3.910 20 0 CHADMN Cc1cc(CSc2nc3ccc(Cl)cc3[nH]2)ncn1 ZINC000488225893 1127064820 /nfs/dbraw/zinc/06/48/20/1127064820.db2.gz FGURCWVGEXTLLN-UHFFFAOYSA-N 0 1 290.779 3.607 20 0 CHADMN CCC1(C(=O)Nc2cccc3c2CN(CC(C)C)C3)CC1 ZINC000270983537 1127064882 /nfs/dbraw/zinc/06/48/82/1127064882.db2.gz FHGKUBYZTWSZDH-UHFFFAOYSA-N 0 1 286.419 3.787 20 0 CHADMN C[C@H]1c2cccn2CCN1Cc1cccc2cc[nH]c21 ZINC000270995894 1127065131 /nfs/dbraw/zinc/06/51/31/1127065131.db2.gz JNUUACQSUDYXAS-ZDUSSCGKSA-N 0 1 265.360 3.546 20 0 CHADMN COc1ccsc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000271030520 1127065320 /nfs/dbraw/zinc/06/53/20/1127065320.db2.gz YOVLGKKGBLPWOI-SECBINFHSA-N 0 1 279.327 3.531 20 0 CHADMN Cc1n[nH]cc1CN(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000271068763 1127067771 /nfs/dbraw/zinc/06/77/71/1127067771.db2.gz DHYLZPPQKRXLQI-NSHDSACASA-N 0 1 297.324 3.930 20 0 CHADMN CCOCCCSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000488284558 1127068293 /nfs/dbraw/zinc/06/82/93/1127068293.db2.gz LFTOTWXDSHAPNN-UHFFFAOYSA-N 0 1 276.405 3.904 20 0 CHADMN CC(C)c1nc(CCN[C@H](C)c2cscn2)cs1 ZINC000271114295 1127068681 /nfs/dbraw/zinc/06/86/81/1127068681.db2.gz IAJQMKKVBIFIHW-SNVBAGLBSA-N 0 1 281.450 3.616 20 0 CHADMN Cc1n[nH]c(C)c1CN(Cc1ccc(F)cc1)C(C)C ZINC000271087140 1127068711 /nfs/dbraw/zinc/06/87/11/1127068711.db2.gz UITHLBSHLRDFAI-UHFFFAOYSA-N 0 1 275.371 3.576 20 0 CHADMN c1csc([C@H]2CN(Cc3cccc4cc[nH]c43)CCO2)c1 ZINC000271219722 1127073335 /nfs/dbraw/zinc/07/33/35/1127073335.db2.gz ZNFUNTNSSGYLEP-OAHLLOKOSA-N 0 1 298.411 3.803 20 0 CHADMN CCCCOc1ccc(CN2CCCc3n[nH]cc3C2)cc1 ZINC000668845300 1127074141 /nfs/dbraw/zinc/07/41/41/1127074141.db2.gz QVLMPOJNUYVVJP-UHFFFAOYSA-N 0 1 299.418 3.537 20 0 CHADMN COc1ccccc1/C=C\CN1CCC(F)(F)[C@H](C)C1 ZINC000570132846 1127074317 /nfs/dbraw/zinc/07/43/17/1127074317.db2.gz DTKNBBYRLFKMIK-SCXUMTSISA-N 0 1 281.346 3.686 20 0 CHADMN C[C@@H](NCc1ccc(F)cc1F)c1ccccc1N(C)C ZINC000271287686 1127074460 /nfs/dbraw/zinc/07/44/60/1127074460.db2.gz RJTXQHGXPZHPOQ-GFCCVEGCSA-N 0 1 290.357 3.882 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)CCC1CCCC1 ZINC000271315242 1127074970 /nfs/dbraw/zinc/07/49/70/1127074970.db2.gz WICLXWYEVYJIER-UHFFFAOYSA-N 0 1 271.311 3.565 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(F)cc1 ZINC000271449304 1127082612 /nfs/dbraw/zinc/08/26/12/1127082612.db2.gz DHCCNESQHSYWKO-LSDHHAIUSA-N 0 1 273.355 3.667 20 0 CHADMN CC(C)c1ccccc1OCCN[C@H](C)c1cscn1 ZINC000271411493 1127079809 /nfs/dbraw/zinc/07/98/09/1127079809.db2.gz ADYPJDVMEZHLCL-CYBMUJFWSA-N 0 1 290.432 3.996 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H](C)c2ccccc2Cl)n[nH]1 ZINC000271453162 1127082751 /nfs/dbraw/zinc/08/27/51/1127082751.db2.gz GKTSGNVWPASQKG-MNOVXSKESA-N 0 1 292.814 3.993 20 0 CHADMN CC[C@H](CN[C@@H](C)c1cscn1)Oc1ccccc1C ZINC000271425969 1127080454 /nfs/dbraw/zinc/08/04/54/1127080454.db2.gz BHHHJRUQOGWPJS-UONOGXRCSA-N 0 1 290.432 3.960 20 0 CHADMN Cc1nnc(CN(CCc2ccccc2)CC(C)C)s1 ZINC000271461464 1127083454 /nfs/dbraw/zinc/08/34/54/1127083454.db2.gz UEKZMJSJGOJIPA-UHFFFAOYSA-N 0 1 289.448 3.547 20 0 CHADMN CCc1nc([C@H](C)N[C@@H]2C[C@H](C)c3c2cccc3C)n[nH]1 ZINC000271459334 1127083658 /nfs/dbraw/zinc/08/36/58/1127083658.db2.gz HDMUGUOAEVFWBI-SGMGOOAPSA-N 0 1 284.407 3.575 20 0 CHADMN c1cc2c(s1)CCC[C@H]2N[C@H]1CCCc2c[nH]nc21 ZINC000271457347 1127084084 /nfs/dbraw/zinc/08/40/84/1127084084.db2.gz FNIVIRHWGMXDJA-OLZOCXBDSA-N 0 1 273.405 3.516 20 0 CHADMN CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@@H](C)c1cscn1 ZINC000271494396 1127086756 /nfs/dbraw/zinc/08/67/56/1127086756.db2.gz LHBKRRXUQMJGRA-PGUXBMHVSA-N 0 1 294.395 3.709 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)N[C@H](C)c1cnccc1C ZINC000271498283 1127086969 /nfs/dbraw/zinc/08/69/69/1127086969.db2.gz GIQAUSAEQGBPNQ-CHWSQXEVSA-N 0 1 288.366 3.950 20 0 CHADMN CO[C@H](c1ccc(F)cc1)[C@@H](C)N[C@@H](C)c1cscn1 ZINC000271494397 1127087062 /nfs/dbraw/zinc/08/70/62/1127087062.db2.gz LHBKRRXUQMJGRA-RWSFTLGLSA-N 0 1 294.395 3.709 20 0 CHADMN C[C@@H](NCCc1cc2ccccc2o1)c1cscn1 ZINC000271513260 1127087951 /nfs/dbraw/zinc/08/79/51/1127087951.db2.gz OYAPFOFANDDFOK-LLVKDONJSA-N 0 1 272.373 3.783 20 0 CHADMN COC[C@@H](N[C@@H](C)c1ccc2c(c1)COC2)c1ccccc1 ZINC000271527075 1127089157 /nfs/dbraw/zinc/08/91/57/1127089157.db2.gz VYGQBMCPOGLWDN-IFXJQAMLSA-N 0 1 297.398 3.755 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(F)c(Cl)c1 ZINC000271554766 1127092157 /nfs/dbraw/zinc/09/21/57/1127092157.db2.gz VNOCZRGUDMDICP-YMTOWFKASA-N 0 1 293.773 3.930 20 0 CHADMN Cc1ccsc1[C@@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000271554837 1127092323 /nfs/dbraw/zinc/09/23/23/1127092323.db2.gz VRABQQXPGXQRII-PWSUYJOCSA-N 0 1 261.394 3.508 20 0 CHADMN C[C@H](N[C@@H]1CCc2cc(F)ccc21)c1cccc2c1OCO2 ZINC000924844129 1127093413 /nfs/dbraw/zinc/09/34/13/1127093413.db2.gz QUOMXXGGNREFCM-MEDUHNTESA-N 0 1 299.345 3.893 20 0 CHADMN CCS[C@H](C)c1noc(-c2ccc(Cl)cc2O)n1 ZINC000273811281 1127097656 /nfs/dbraw/zinc/09/76/56/1127097656.db2.gz CGRCRZSLGAVRSH-SSDOTTSWSA-N 0 1 284.768 3.910 20 0 CHADMN Cc1cc(N(C)C)cc(C)c1NCc1[nH]nc2ccccc21 ZINC000760634696 1127102845 /nfs/dbraw/zinc/10/28/45/1127102845.db2.gz TVHWOIBWRRUYGP-UHFFFAOYSA-N 0 1 294.402 3.858 20 0 CHADMN C[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@H]1CC1(C)C ZINC000489502927 1127105298 /nfs/dbraw/zinc/10/52/98/1127105298.db2.gz ZMNOOFPHMJVSMB-HNNXBMFYSA-N 0 1 274.339 3.711 20 0 CHADMN CN(Cc1cc(-c2ccc(F)cc2)no1)[C@H]1CC1(C)C ZINC000489502927 1127105300 /nfs/dbraw/zinc/10/53/00/1127105300.db2.gz ZMNOOFPHMJVSMB-HNNXBMFYSA-N 0 1 274.339 3.711 20 0 CHADMN COc1c(O)cccc1CNCc1ccc(C(F)F)cc1 ZINC000274206572 1127110690 /nfs/dbraw/zinc/11/06/90/1127110690.db2.gz HSHRMQQKWWNFFH-UHFFFAOYSA-N 0 1 293.313 3.628 20 0 CHADMN Cc1ccc(F)cc1-c1noc([C@H]2CCCN2C(C)C)n1 ZINC000923817752 1127112297 /nfs/dbraw/zinc/11/22/97/1127112297.db2.gz LJGANSZJPBDKMJ-CQSZACIVSA-N 0 1 289.354 3.729 20 0 CHADMN COC1(CCN(C)Cc2cc(Cl)ccc2F)CCC1 ZINC000339127123 1127114028 /nfs/dbraw/zinc/11/40/28/1127114028.db2.gz BUJXYAQOEORDRG-UHFFFAOYSA-N 0 1 285.790 3.870 20 0 CHADMN CO[C@@H](C)CN(C)Cc1c(Cl)oc2ccccc21 ZINC000348835768 1127130408 /nfs/dbraw/zinc/13/04/08/1127130408.db2.gz UNHJSZRNTMQMFU-JTQLQIEISA-N 0 1 267.756 3.553 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)C2CCC(C)CC2)[nH]1 ZINC000283428368 1127137997 /nfs/dbraw/zinc/13/79/97/1127137997.db2.gz JAOIAIWAYCNDHH-UHFFFAOYSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1cc(Cl)nc(CN[C@@H]2CCc3ccccc32)c1 ZINC000283465292 1127138837 /nfs/dbraw/zinc/13/88/37/1127138837.db2.gz JIYFKUZPWXKLJI-OAHLLOKOSA-N 0 1 272.779 3.821 20 0 CHADMN COc1ccccc1/C=C/CN1CCC[C@H]1c1cccnc1 ZINC000348924254 1127134888 /nfs/dbraw/zinc/13/48/88/1127134888.db2.gz VXVGTZGJPOAGTO-YXOJNZSOSA-N 0 1 294.398 3.941 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)[C@H]2CCCC[C@H]2C)[nH]1 ZINC000283477629 1127139555 /nfs/dbraw/zinc/13/95/55/1127139555.db2.gz MWROOWBVMWZQBS-ABAIWWIYSA-N 0 1 285.391 3.522 20 0 CHADMN CCSc1cccc(CNc2cc(OC)ccn2)c1 ZINC000349081352 1127139659 /nfs/dbraw/zinc/13/96/59/1127139659.db2.gz KDTVBRDVCLQNAM-UHFFFAOYSA-N 0 1 274.389 3.814 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@H](c1cccnc1)C1CC1 ZINC000349301597 1127146279 /nfs/dbraw/zinc/14/62/79/1127146279.db2.gz XIDXKOJJDSNHMZ-ABAIWWIYSA-N 0 1 288.416 3.954 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H](c1cccnc1)C1CC1 ZINC000349301603 1127146646 /nfs/dbraw/zinc/14/66/46/1127146646.db2.gz XIDXKOJJDSNHMZ-XHDPSFHLSA-N 0 1 288.416 3.954 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCCN(c3ccc(C)cc3)C2)no1 ZINC000283691648 1127152533 /nfs/dbraw/zinc/15/25/33/1127152533.db2.gz AHYFTHSUWFRNLK-HOTGVXAUSA-N 0 1 299.418 3.611 20 0 CHADMN CCN(Cc1cccs1)Cc1ccc([S@@](C)=O)cc1 ZINC000349563533 1127154230 /nfs/dbraw/zinc/15/42/30/1127154230.db2.gz PBRUJKLUFLOGIB-LJQANCHMSA-N 0 1 293.457 3.508 20 0 CHADMN CC(C)CC[C@@H]1CCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000570933797 1127150387 /nfs/dbraw/zinc/15/03/87/1127150387.db2.gz NNIJEXXRIQOSTF-HNNXBMFYSA-N 0 1 275.392 3.785 20 0 CHADMN Cc1ccc([C@H](N[C@H]2c3ccccc3C[C@H]2O)C2CCC2)o1 ZINC000349454705 1127151618 /nfs/dbraw/zinc/15/16/18/1127151618.db2.gz PUGKDKUEGOGXKH-QRQLOZEOSA-N 0 1 297.398 3.677 20 0 CHADMN CC[C@H](C)N(C)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000466799534 1127155197 /nfs/dbraw/zinc/15/51/97/1127155197.db2.gz GWJMSGCPGWLUNE-LBPRGKRZSA-N 0 1 277.799 3.756 20 0 CHADMN COc1ccsc1CN(C)Cc1sccc1C ZINC000349579659 1127155474 /nfs/dbraw/zinc/15/54/74/1127155474.db2.gz XUJISPSWPBFUMQ-UHFFFAOYSA-N 0 1 267.419 3.759 20 0 CHADMN CCn1cc(CN(C)Cc2ccc3ccccc3c2)cn1 ZINC000349615547 1127155635 /nfs/dbraw/zinc/15/56/35/1127155635.db2.gz KNFNLDCTFGGKFM-UHFFFAOYSA-N 0 1 279.387 3.688 20 0 CHADMN Cc1[nH]c2ccc(CNCc3cc(O)cc(F)c3)cc2c1C ZINC000349598478 1127155667 /nfs/dbraw/zinc/15/56/67/1127155667.db2.gz MAMXHWZYBBAKBA-UHFFFAOYSA-N 0 1 298.361 3.919 20 0 CHADMN CCc1oc2ccccc2c1CN(C)Cc1cccn1C ZINC000349640570 1127156911 /nfs/dbraw/zinc/15/69/11/1127156911.db2.gz GXQJXPQYEYWJDZ-UHFFFAOYSA-N 0 1 282.387 3.966 20 0 CHADMN Cc1cccc2ncc(CN(C)[C@H](C)c3ccc(F)cc3)n21 ZINC000349745983 1127159287 /nfs/dbraw/zinc/15/92/87/1127159287.db2.gz FFDHRSIPDPQYNK-CQSZACIVSA-N 0 1 297.377 3.975 20 0 CHADMN Cn1c2ccccc2nc1CN1CCC[C@H]1c1ccccc1 ZINC000349763783 1127160076 /nfs/dbraw/zinc/16/00/76/1127160076.db2.gz KHDVUQPFSGVUKM-KRWDZBQOSA-N 0 1 291.398 3.910 20 0 CHADMN CCO[C@H](CC)c1noc(-c2ccc(Cl)cc2O)n1 ZINC000157368991 1127164250 /nfs/dbraw/zinc/16/42/50/1127164250.db2.gz OVXBBHQHZVTUFT-LLVKDONJSA-N 0 1 282.727 3.583 20 0 CHADMN CCOc1cccc(CN(C)[C@H]2CCc3ccccc32)n1 ZINC000349968753 1127168781 /nfs/dbraw/zinc/16/87/81/1127168781.db2.gz WCQMQWAREGDNHL-KRWDZBQOSA-N 0 1 282.387 3.600 20 0 CHADMN Cn1cccc1CN(Cc1ccc(Cl)cc1)C1CC1 ZINC000349949616 1127169179 /nfs/dbraw/zinc/16/91/79/1127169179.db2.gz RZQVNJPYPDLAPN-UHFFFAOYSA-N 0 1 274.795 3.843 20 0 CHADMN Cc1cc(CNC2(c3cccc(F)c3)CC2)cnc1Cl ZINC000760676803 1127172870 /nfs/dbraw/zinc/17/28/70/1127172870.db2.gz DFSBMZKJEOVXAL-UHFFFAOYSA-N 0 1 290.769 3.961 20 0 CHADMN Cc1cc(CN[C@@H]2CSc3ccccc32)cnc1Cl ZINC000760677690 1127173679 /nfs/dbraw/zinc/17/36/79/1127173679.db2.gz SRXDYFHECDEQER-CYBMUJFWSA-N 0 1 290.819 3.980 20 0 CHADMN CCN(Cc1occc1C)Cc1ccc(OC)cc1 ZINC000350281370 1127176455 /nfs/dbraw/zinc/17/64/55/1127176455.db2.gz WTABAERBWHPELH-UHFFFAOYSA-N 0 1 259.349 3.619 20 0 CHADMN Cc1cccc(F)c1CNCc1cnc(Cl)c(C)c1 ZINC000760680153 1127176530 /nfs/dbraw/zinc/17/65/30/1127176530.db2.gz OQCFJTBQBWCYGA-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@@H]2C(C)(C)C)[nH]1 ZINC000284142388 1127176165 /nfs/dbraw/zinc/17/61/65/1127176165.db2.gz WAUIDFCNLVJQKE-CQSZACIVSA-N 0 1 285.391 3.522 20 0 CHADMN CN(Cc1cccc(-c2ccccn2)c1)Cc1ccccn1 ZINC000350353905 1127177102 /nfs/dbraw/zinc/17/71/02/1127177102.db2.gz KIFLMCOWUOWFBL-UHFFFAOYSA-N 0 1 289.382 3.776 20 0 CHADMN CCn1nc(C)c(CN(Cc2cccs2)C(C)C)c1C ZINC000350315140 1127177650 /nfs/dbraw/zinc/17/76/50/1127177650.db2.gz SPVPIYAUKHDXID-UHFFFAOYSA-N 0 1 291.464 3.992 20 0 CHADMN CC(C)Oc1ccc([C@@H](C)NCCF)cc1Cl ZINC000284283696 1127179026 /nfs/dbraw/zinc/17/90/26/1127179026.db2.gz JWAOKVAOLDEMHQ-SNVBAGLBSA-N 0 1 259.752 3.747 20 0 CHADMN CO[C@H](CNC(C)(C)c1ncc(C)s1)c1ccccc1 ZINC000284305676 1127179928 /nfs/dbraw/zinc/17/99/28/1127179928.db2.gz GWZMCOOLUVZJBV-CQSZACIVSA-N 0 1 290.432 3.664 20 0 CHADMN C[C@@]12CCN(Cc3ccsc3)C[C@@H]1C2(Cl)Cl ZINC000284446827 1127183620 /nfs/dbraw/zinc/18/36/20/1127183620.db2.gz TYNZTJFQOMRDNR-WDEREUQCSA-N 0 1 276.232 3.764 20 0 CHADMN Cc1ccc(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)o1 ZINC000284474006 1127185368 /nfs/dbraw/zinc/18/53/68/1127185368.db2.gz VYAXKLWENBODPA-NWDGAFQWSA-N 0 1 274.191 3.604 20 0 CHADMN Cn1nccc1-c1ccccc1CN1Cc2ccccc2C1 ZINC000351477041 1127189957 /nfs/dbraw/zinc/18/99/57/1127189957.db2.gz NOAWFSZKIZFWMC-UHFFFAOYSA-N 0 1 289.382 3.603 20 0 CHADMN CCc1c2ccccc2oc1[C@H](C)NCc1cc(C)nn1C ZINC000284570009 1127190072 /nfs/dbraw/zinc/19/00/72/1127190072.db2.gz YTSGBTVOCWNQAT-ZDUSSCGKSA-N 0 1 297.402 3.888 20 0 CHADMN Cc1sccc1CN1CCc2c(F)cccc2C1 ZINC000351502581 1127190778 /nfs/dbraw/zinc/19/07/78/1127190778.db2.gz MOAFRVJGFPXVPT-UHFFFAOYSA-N 0 1 261.365 3.754 20 0 CHADMN CC(C)(C)CCc1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000351624032 1127199590 /nfs/dbraw/zinc/19/95/90/1127199590.db2.gz VUNPANZJKJNJIT-UHFFFAOYSA-N 0 1 286.335 3.698 20 0 CHADMN CC[C@H](C)CCC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000351641332 1127200270 /nfs/dbraw/zinc/20/02/70/1127200270.db2.gz NFPDVKSDEBQDDR-GJZGRUSLSA-N 0 1 294.439 3.605 20 0 CHADMN CCN(CCc1cccs1)Cc1nc2ccccc2[nH]1 ZINC000351645181 1127201036 /nfs/dbraw/zinc/20/10/36/1127201036.db2.gz VQQAZBVXYGRZRQ-UHFFFAOYSA-N 0 1 285.416 3.689 20 0 CHADMN Cc1cc(CN2CCCC[C@H](O)C2)c(Cl)cc1Cl ZINC001237703237 1131131366 /nfs/dbraw/zinc/13/13/66/1131131366.db2.gz ZWKXOKGFWHDTSW-LBPRGKRZSA-N 0 1 288.218 3.649 20 0 CHADMN Cc1ccccc1[C@H](C)N(Cc1nccc(N)n1)CC(C)C ZINC000284757450 1127204034 /nfs/dbraw/zinc/20/40/34/1127204034.db2.gz LXIGJLOWKZDFMF-HNNXBMFYSA-N 0 1 298.434 3.586 20 0 CHADMN Fc1ccc(CN(Cc2cnc[nH]2)Cc2ccccc2)cc1 ZINC000351692102 1127204071 /nfs/dbraw/zinc/20/40/71/1127204071.db2.gz HEOFUGKTNCPUEW-UHFFFAOYSA-N 0 1 295.361 3.751 20 0 CHADMN CCN(C(=O)CN(C)CC(C)(C)C)c1cccc(Cl)c1 ZINC000588901442 1127204519 /nfs/dbraw/zinc/20/45/19/1127204519.db2.gz BXCJVPZXJAAPTE-UHFFFAOYSA-N 0 1 296.842 3.671 20 0 CHADMN Cc1ncc(CN[C@H](c2ccccc2Cl)C(C)C)cn1 ZINC000351734934 1127206446 /nfs/dbraw/zinc/20/64/46/1127206446.db2.gz LERYFCKSDPSFKB-INIZCTEOSA-N 0 1 289.810 3.925 20 0 CHADMN Cc1noc([C@H](C)NCC2(c3cccc(C)c3)CCCC2)n1 ZINC000588908808 1127208638 /nfs/dbraw/zinc/20/86/38/1127208638.db2.gz AQKJBCKVMHZEDM-AWEZNQCLSA-N 0 1 299.418 3.849 20 0 CHADMN C[C@H](N[C@@H]1CCCOc2cc(Cl)ccc21)c1cn[nH]c1 ZINC000285014282 1127214903 /nfs/dbraw/zinc/21/49/03/1127214903.db2.gz HFLKWDZDBGZBRA-IINYFYTJSA-N 0 1 291.782 3.628 20 0 CHADMN CN(CCC(F)(F)F)[C@H]1CCc2c1cccc2F ZINC001116326293 1131141257 /nfs/dbraw/zinc/14/12/57/1131141257.db2.gz PSUMQHCWDVXYHK-LBPRGKRZSA-N 0 1 261.262 3.697 20 0 CHADMN COc1ccc(CN2CCCCC[C@H]2C)c(Cl)n1 ZINC001237798043 1131141392 /nfs/dbraw/zinc/14/13/92/1131141392.db2.gz ARPNNPCVCVDCGF-LLVKDONJSA-N 0 1 268.788 3.508 20 0 CHADMN COc1ccc(CN(C)[C@H]2CC[C@H](C)CC2)c(Cl)n1 ZINC001237810088 1131142547 /nfs/dbraw/zinc/14/25/47/1131142547.db2.gz NWXJBRXICZHWDW-AULYBMBSSA-N 0 1 282.815 3.754 20 0 CHADMN CC1(C2CC2)CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000352189244 1127221053 /nfs/dbraw/zinc/22/10/53/1127221053.db2.gz LVNXNHKTTUDWNS-UHFFFAOYSA-N 0 1 269.392 3.575 20 0 CHADMN CCc1ccc(CN[C@H](C)c2cc(C)ccc2OC)cn1 ZINC000352250363 1127222404 /nfs/dbraw/zinc/22/24/04/1127222404.db2.gz HEPUXVHEDFVCNE-CQSZACIVSA-N 0 1 284.403 3.812 20 0 CHADMN CCCOc1cc(F)ccc1CN1CC[C@](C)(CF)C1 ZINC001237903085 1131150355 /nfs/dbraw/zinc/15/03/55/1131150355.db2.gz GSHKKNXBAUMEEW-MRXNPFEDSA-N 0 1 283.362 3.796 20 0 CHADMN CC/C=C/CCN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000466807488 1127224981 /nfs/dbraw/zinc/22/49/81/1127224981.db2.gz SJEFKSGPBDPEMI-PQAMPZAHSA-N 0 1 259.393 3.805 20 0 CHADMN CCC1(CC)CN(Cc2cnc(C3CC3)s2)C1 ZINC000572725010 1127225226 /nfs/dbraw/zinc/22/52/26/1127225226.db2.gz YGXPUUSZQBSNBF-UHFFFAOYSA-N 0 1 250.411 3.643 20 0 CHADMN CCOC1CC2(C1)CCN([C@H](C)c1c(F)cccc1F)C2 ZINC000285431473 1127227824 /nfs/dbraw/zinc/22/78/24/1127227824.db2.gz HJTFPNGPBMXVTM-SFYCDEOASA-N 0 1 295.373 3.917 20 0 CHADMN C[C@H](NCc1[nH]nc2ccccc21)c1ccc(F)cc1F ZINC000589636698 1127231291 /nfs/dbraw/zinc/23/12/91/1127231291.db2.gz XZCQATMQJOXYMK-JTQLQIEISA-N 0 1 287.313 3.692 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(Cl)cc2Cl)[nH]n1 ZINC000589635877 1127231056 /nfs/dbraw/zinc/23/10/56/1127231056.db2.gz AODJZJOOYFMXKV-SECBINFHSA-N 0 1 284.190 3.876 20 0 CHADMN CSc1ccc(CNCc2nn(C)c3ccccc23)cc1 ZINC000589644127 1127231997 /nfs/dbraw/zinc/23/19/97/1127231997.db2.gz CZJVEOVMXREIES-UHFFFAOYSA-N 0 1 297.427 3.585 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2)c2ccc(F)cc2)[nH]n1 ZINC000589645736 1127232832 /nfs/dbraw/zinc/23/28/32/1127232832.db2.gz XNRVRYLNNOWEIO-SFHVURJKSA-N 0 1 295.361 3.736 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249751088 1127235874 /nfs/dbraw/zinc/23/58/74/1127235874.db2.gz HQQRKYMTKCRACC-NWDGAFQWSA-N 0 1 291.345 3.629 20 0 CHADMN CC(C)O[C@@H]1C[C@H](N[C@H](C)c2c(F)cncc2F)C1(C)C ZINC000285530151 1127236055 /nfs/dbraw/zinc/23/60/55/1127236055.db2.gz CMZDFUXNGCTCLY-DDTOSNHZSA-N 0 1 298.377 3.603 20 0 CHADMN Cc1c[nH]nc1CN[C@H](C)c1ccccc1C(F)(F)F ZINC000352835883 1127246152 /nfs/dbraw/zinc/24/61/52/1127246152.db2.gz LKAGCEIDBPADCP-SNVBAGLBSA-N 0 1 283.297 3.588 20 0 CHADMN COc1cccc([C@@H](C)N[C@H](C)c2cc(C)ccn2)c1 ZINC000285893318 1127246542 /nfs/dbraw/zinc/24/65/42/1127246542.db2.gz CKCMIGAKHOQHRK-ZIAGYGMSSA-N 0 1 270.376 3.810 20 0 CHADMN Cn1c2cc(Cl)ccc2nc1CN1CCCC1(C)C ZINC000352964394 1127254120 /nfs/dbraw/zinc/25/41/20/1127254120.db2.gz TXRDLHADLCVYRO-UHFFFAOYSA-N 0 1 277.799 3.601 20 0 CHADMN CCCN(Cc1conc1CC)[C@H]1CCCc2cccnc21 ZINC000352949668 1127252950 /nfs/dbraw/zinc/25/29/50/1127252950.db2.gz YQXJYFDZEKKWJK-KRWDZBQOSA-N 0 1 299.418 3.922 20 0 CHADMN C[C@H]1CCCN(Cc2ncccc2C(F)(F)F)[C@H]1C ZINC000352959677 1127254685 /nfs/dbraw/zinc/25/46/85/1127254685.db2.gz AHBITGCILRXIRB-QWRGUYRKSA-N 0 1 272.314 3.721 20 0 CHADMN c1onc(Cc2ccccc2)c1CN1CCCC2(CC2)C1 ZINC000352964280 1127254730 /nfs/dbraw/zinc/25/47/30/1127254730.db2.gz SQFMJYJTMYQZAE-UHFFFAOYSA-N 0 1 282.387 3.641 20 0 CHADMN CC[N@@H+](Cc1cccc(Cl)c1)C1CCC(C(=O)[O-])CC1 ZINC000572986424 1127260960 /nfs/dbraw/zinc/26/09/60/1127260960.db2.gz HVCGAXKZYQMPQF-UHFFFAOYSA-N 0 1 295.810 3.805 20 0 CHADMN CC[C@@H](N[C@H](CCO)c1ccco1)c1cccc(C)c1 ZINC000286174722 1127261604 /nfs/dbraw/zinc/26/16/04/1127261604.db2.gz QBDAZJTZRLZMOH-HZPDHXFCSA-N 0 1 273.376 3.752 20 0 CHADMN CSCc1cnc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)s1 ZINC000353157772 1127263459 /nfs/dbraw/zinc/26/34/59/1127263459.db2.gz WLDFDJJOJGBXAG-IJLUTSLNSA-N 0 1 284.494 3.873 20 0 CHADMN Cc1ccc(CN(CCO)Cc2ccc(C3CCC3)cc2)o1 ZINC000353282458 1127266458 /nfs/dbraw/zinc/26/64/58/1127266458.db2.gz JIAVPUNJGCUMOB-UHFFFAOYSA-N 0 1 299.414 3.850 20 0 CHADMN COc1cc([C@@H](C)N[C@H](C)c2ccccc2C)c(F)cn1 ZINC000286871920 1127274905 /nfs/dbraw/zinc/27/49/05/1127274905.db2.gz HOBISCREXQOYRQ-CHWSQXEVSA-N 0 1 288.366 3.950 20 0 CHADMN CC(C)(C)c1ccc(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)s1 ZINC000166283609 1127271192 /nfs/dbraw/zinc/27/11/92/1127271192.db2.gz LMHGOIPUIQXMPR-MRXNPFEDSA-N 0 1 295.448 3.732 20 0 CHADMN Cc1ccnc([C@H](C)NCc2cccc3cc[nH]c32)c1 ZINC000353585888 1127271238 /nfs/dbraw/zinc/27/12/38/1127271238.db2.gz AASMDJACPGHUAT-ZDUSSCGKSA-N 0 1 265.360 3.722 20 0 CHADMN COc1ccc(CN[C@H](c2ccc(F)cn2)C(C)C)cc1 ZINC000353553818 1127270223 /nfs/dbraw/zinc/27/02/23/1127270223.db2.gz SRFXBYKNDUYXLA-KRWDZBQOSA-N 0 1 288.366 3.716 20 0 CHADMN CCCC[C@H](C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000286898752 1127275847 /nfs/dbraw/zinc/27/58/47/1127275847.db2.gz MPOFWRXNMAJOAP-QMMMGPOBSA-N 0 1 273.735 3.950 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCSC(C)(C)C2)o1 ZINC000353908696 1127277265 /nfs/dbraw/zinc/27/72/65/1127277265.db2.gz CWDXBCZZIURIGU-YPMHNXCESA-N 0 1 265.422 3.730 20 0 CHADMN C=C(Br)CN(C1CC1)C1CCC(C)CC1 ZINC000057754792 1127277745 /nfs/dbraw/zinc/27/77/45/1127277745.db2.gz HHBKKWAVIGJCST-UHFFFAOYSA-N 0 1 272.230 3.938 20 0 CHADMN CC[C@H](N[C@@H](c1nccn1C)C1CC1)c1ccc(OC)cc1 ZINC000353918131 1127278650 /nfs/dbraw/zinc/27/86/50/1127278650.db2.gz IQOAIXBBRRFSNJ-DLBZAZTESA-N 0 1 299.418 3.621 20 0 CHADMN C[C@H]1c2ccccc2CN1Cc1ccc(-n2cccn2)cc1 ZINC000353923855 1127278660 /nfs/dbraw/zinc/27/86/60/1127278660.db2.gz PDURKHDDNHMPRL-HNNXBMFYSA-N 0 1 289.382 3.949 20 0 CHADMN CCC1(CC)[C@H](N[C@@H](C)c2c(F)cncc2F)C[C@@H]1OC ZINC000353927905 1127279628 /nfs/dbraw/zinc/27/96/28/1127279628.db2.gz WYNUFOYHEVLTFO-GDLCADMTSA-N 0 1 298.377 3.604 20 0 CHADMN C[C@@H](N[C@H]1CC(C)(C)CCc2ccccc21)c1nncn1C ZINC000286980731 1127279782 /nfs/dbraw/zinc/27/97/82/1127279782.db2.gz PWBLSMDQNQNAKQ-CJNGLKHVSA-N 0 1 298.434 3.570 20 0 CHADMN CC1(C)CN(CCO[C@@H]2CCCCO2)[C@H]1c1cccs1 ZINC000286997440 1127281222 /nfs/dbraw/zinc/28/12/22/1127281222.db2.gz PWIQBNOWBPKPEE-CABCVRRESA-N 0 1 295.448 3.674 20 0 CHADMN CCn1cc(CN[C@H](C)c2ccc(SC)c(F)c2)cn1 ZINC000353962257 1127281630 /nfs/dbraw/zinc/28/16/30/1127281630.db2.gz WPGLASBHBDLFPQ-LLVKDONJSA-N 0 1 293.411 3.615 20 0 CHADMN COc1ccc2nc(S[C@H](C)C(C)C)[nH]c2c1 ZINC000591038066 1127282895 /nfs/dbraw/zinc/28/28/95/1127282895.db2.gz KKEXTVJMNKTWQR-SECBINFHSA-N 0 1 250.367 3.708 20 0 CHADMN C[C@@H]1CCN(Cc2nnc(-c3ccccc3)o2)CC1(C)C ZINC000354000189 1127283941 /nfs/dbraw/zinc/28/39/41/1127283941.db2.gz BBLBRMIGRFQOCW-CYBMUJFWSA-N 0 1 285.391 3.605 20 0 CHADMN Cc1cccc2nc(CN3CC[C@H](C)C(C)(C)C3)cn21 ZINC000354003142 1127284582 /nfs/dbraw/zinc/28/45/82/1127284582.db2.gz RMCPNVSMWXIFKW-ZDUSSCGKSA-N 0 1 271.408 3.511 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC[C@@H](n2ccnc2)C1 ZINC000591083198 1127285109 /nfs/dbraw/zinc/28/51/09/1127285109.db2.gz QVCGHBKNOXVOEM-GXTWGEPZSA-N 0 1 291.345 3.559 20 0 CHADMN Cc1cccc2ncc(CN3C[C@H](C)[C@@H]3c3ccccc3)n21 ZINC000354025486 1127286301 /nfs/dbraw/zinc/28/63/01/1127286301.db2.gz FBINNLHEEPUJOF-IFXJQAMLSA-N 0 1 291.398 3.836 20 0 CHADMN COc1cc([C@@H](C)N[C@H](c2ncccc2C)C(C)C)ccn1 ZINC000573106121 1127293804 /nfs/dbraw/zinc/29/38/04/1127293804.db2.gz HVAJMRMDKQTGJG-PBHICJAKSA-N 0 1 299.418 3.842 20 0 CHADMN Fc1ccc([C@H]2CCCCN2Cc2ccccn2)cc1 ZINC000354088439 1127291442 /nfs/dbraw/zinc/29/14/42/1127291442.db2.gz PNIDNNJNHJRZTP-QGZVFWFLSA-N 0 1 270.351 3.948 20 0 CHADMN COCC1(N[C@@H](C)c2ccc(Oc3ccccc3)cn2)CC1 ZINC000573198424 1127297645 /nfs/dbraw/zinc/29/76/45/1127297645.db2.gz LBBXUZNFMMAPES-AWEZNQCLSA-N 0 1 298.386 3.704 20 0 CHADMN COc1cc(F)cc(CNCc2ccc3ccccc3n2)c1 ZINC000354289149 1127301043 /nfs/dbraw/zinc/30/10/43/1127301043.db2.gz HPHKCZNEDAHOOL-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN C[C@H](CC1CCCCC1)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000354340430 1127303902 /nfs/dbraw/zinc/30/39/02/1127303902.db2.gz LKAOGQREPWSGGU-LLVKDONJSA-N 0 1 290.411 3.617 20 0 CHADMN C[C@H](CC1CCCCC1)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000354340430 1127303904 /nfs/dbraw/zinc/30/39/04/1127303904.db2.gz LKAOGQREPWSGGU-LLVKDONJSA-N 0 1 290.411 3.617 20 0 CHADMN CCCCc1noc(CN([C@H](C)[C@@H](C)CC)C2CC2)n1 ZINC000591474987 1127306081 /nfs/dbraw/zinc/30/60/81/1127306081.db2.gz MMYDCSHJXCWZQN-QWHCGFSZSA-N 0 1 279.428 3.811 20 0 CHADMN Cc1nsc(C)c1CN1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000573263155 1127305391 /nfs/dbraw/zinc/30/53/91/1127305391.db2.gz GSUUBEWISLYYGP-ZBEGNZNMSA-N 0 1 287.432 3.738 20 0 CHADMN Cc1ccoc1CN(C)C[C@@H]1CCC2(CCCC2)O1 ZINC000573277199 1127305471 /nfs/dbraw/zinc/30/54/71/1127305471.db2.gz HOFAVPFDCZFYHZ-AWEZNQCLSA-N 0 1 263.381 3.512 20 0 CHADMN CC(C)(C)C[C@H]1CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000573330972 1127306758 /nfs/dbraw/zinc/30/67/58/1127306758.db2.gz HIRVRHHDQCFQCP-GFCCVEGCSA-N 0 1 281.421 3.847 20 0 CHADMN CCOc1ccc(CN2CCC(OCC)CC2)c(Cl)c1 ZINC001238401469 1131195916 /nfs/dbraw/zinc/19/59/16/1131195916.db2.gz XRWCDWJFOWPSIU-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN Cc1cc(CN2CC[C@H](C)C[C@H]2C)ncc1Cl ZINC001238418057 1131198005 /nfs/dbraw/zinc/19/80/05/1131198005.db2.gz JDIRXJHEOOHYHB-CMPLNLGQSA-N 0 1 252.789 3.664 20 0 CHADMN COc1ccncc1CN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000287692542 1127312987 /nfs/dbraw/zinc/31/29/87/1127312987.db2.gz IUCORLCDOHSQFA-AWEZNQCLSA-N 0 1 296.414 3.820 20 0 CHADMN C[C@H]1C[C@@H](NCc2nn(C)c3ccccc23)c2ccccc21 ZINC000591720289 1127313183 /nfs/dbraw/zinc/31/31/83/1127313183.db2.gz ULPAONXLXCAFRC-SUMWQHHRSA-N 0 1 291.398 3.911 20 0 CHADMN CCCC[C@@H](CC)CN(C)Cc1ncc(Cl)n1C ZINC000760871264 1127314072 /nfs/dbraw/zinc/31/40/72/1127314072.db2.gz LWQGKHSQTGADJV-GFCCVEGCSA-N 0 1 271.836 3.722 20 0 CHADMN Cc1cccc(CN(Cc2cccc(C)n2)CC2CC2)n1 ZINC000355114391 1127317534 /nfs/dbraw/zinc/31/75/34/1127317534.db2.gz OXKMWRHZZHGVSQ-UHFFFAOYSA-N 0 1 281.403 3.506 20 0 CHADMN CCO[C@H]1C[C@H](N(C)Cc2nc(C)cs2)C1(CC)CC ZINC000355135122 1127319908 /nfs/dbraw/zinc/31/99/08/1127319908.db2.gz NPSMXSQWTIHEAX-KBPBESRZSA-N 0 1 296.480 3.867 20 0 CHADMN C[C@H]1CCC[C@@]1(C)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000573675556 1127322353 /nfs/dbraw/zinc/32/23/53/1127322353.db2.gz OVRTZUFUKQKAKX-MGPLVRAMSA-N 0 1 282.347 3.691 20 0 CHADMN Cc1cc(F)cc(Br)c1CN1CCC2(CC2)C1 ZINC001238560966 1131215847 /nfs/dbraw/zinc/21/58/47/1131215847.db2.gz ALVYELBIYWCELX-UHFFFAOYSA-N 0 1 298.199 3.883 20 0 CHADMN CN(Cc1nc2ccccc2n1C)[C@H]1C[C@H]1c1ccccc1 ZINC000355208294 1127324887 /nfs/dbraw/zinc/32/48/87/1127324887.db2.gz OZQOZZZEOYEXPP-YJBOKZPZSA-N 0 1 291.398 3.561 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2COCc3ccccc32)c(C)n1 ZINC000669426472 1127327056 /nfs/dbraw/zinc/32/70/56/1127327056.db2.gz JQZFALVQLXQJAB-KSSFIOAISA-N 0 1 282.387 3.621 20 0 CHADMN Cc1cccc(CCCN2CCC(=O)CC23CCC3)c1 ZINC000573694918 1127327600 /nfs/dbraw/zinc/32/76/00/1127327600.db2.gz HTHLIOFWMGIBCA-UHFFFAOYSA-N 0 1 271.404 3.515 20 0 CHADMN C[C@@H]1CCCC[C@]1(C)NCc1noc(-c2ccsc2)n1 ZINC000573806678 1127329125 /nfs/dbraw/zinc/32/91/25/1127329125.db2.gz FJLXTDROXFTOEK-ABAIWWIYSA-N 0 1 291.420 3.857 20 0 CHADMN CC(C)CO[C@@H]1CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000355269091 1127330054 /nfs/dbraw/zinc/33/00/54/1127330054.db2.gz GZWOKHMRYMEGQN-SQWLQELKSA-N 0 1 277.408 3.650 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)c3c(C)coc3C)c2C)o1 ZINC000288313043 1127330422 /nfs/dbraw/zinc/33/04/22/1127330422.db2.gz UPOOQSQOUYDWTO-UHFFFAOYSA-N 0 1 299.330 3.749 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2cccc(O)c2)c1F ZINC000295275330 1129218547 /nfs/dbraw/zinc/21/85/47/1129218547.db2.gz VXRAKBBDDHJQOJ-LBPRGKRZSA-N 0 1 259.324 3.691 20 0 CHADMN Cc1nn(-c2ccncc2)cc1CN(C)c1cccc(C)c1 ZINC000355362397 1127335543 /nfs/dbraw/zinc/33/55/43/1127335543.db2.gz GQWRZWYTGCZCIM-UHFFFAOYSA-N 0 1 292.386 3.521 20 0 CHADMN CCN(CCSC)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000592200438 1127341183 /nfs/dbraw/zinc/34/11/83/1127341183.db2.gz YHKHUDWYIHXAJB-JTQLQIEISA-N 0 1 297.449 3.544 20 0 CHADMN CC(C)(C)CCOc1cnccc1CNCc1cc[nH]c1 ZINC000288481103 1127342213 /nfs/dbraw/zinc/34/22/13/1127342213.db2.gz PWRBBLGRKJPDOI-UHFFFAOYSA-N 0 1 287.407 3.515 20 0 CHADMN CO[C@H](C)c1noc(CN(CCC(C)C)C2CCCC2)n1 ZINC000355547878 1127348869 /nfs/dbraw/zinc/34/88/69/1127348869.db2.gz AUSNPEHVQIORBA-CYBMUJFWSA-N 0 1 295.427 3.568 20 0 CHADMN CCN(Cc1csc(C(C)C)n1)CC1CCC1 ZINC000355605491 1127353862 /nfs/dbraw/zinc/35/38/62/1127353862.db2.gz JTLGIEGHLPWIBV-UHFFFAOYSA-N 0 1 252.427 3.889 20 0 CHADMN CC1(c2cccc(Cl)c2)CCN(Cc2c[nH]cn2)CC1 ZINC000355650910 1127355874 /nfs/dbraw/zinc/35/58/74/1127355874.db2.gz NVPBLWPDXDFCBI-UHFFFAOYSA-N 0 1 289.810 3.617 20 0 CHADMN C[C@@H](NCc1cccc(C(F)F)c1)c1cncs1 ZINC000783311252 1127363809 /nfs/dbraw/zinc/36/38/09/1127363809.db2.gz UGLUTBLBXQPMLE-SECBINFHSA-N 0 1 268.332 3.932 20 0 CHADMN Fc1ccccc1OCCN1CCCc2sccc2C1 ZINC000592984529 1127365818 /nfs/dbraw/zinc/36/58/18/1127365818.db2.gz RIKTUHDXCSMMFI-UHFFFAOYSA-N 0 1 291.391 3.714 20 0 CHADMN CCN(Cc1cnc([C@H](C)O)s1)Cc1ccccc1C ZINC000289064529 1127371943 /nfs/dbraw/zinc/37/19/43/1127371943.db2.gz JHHJKOGURGORGQ-ZDUSSCGKSA-N 0 1 290.432 3.527 20 0 CHADMN c1oc2ccccc2c1-c1noc([C@H]2CCCN2C2CC2)n1 ZINC000289076687 1127372566 /nfs/dbraw/zinc/37/25/66/1127372566.db2.gz MROUTOCAWJVGNY-CQSZACIVSA-N 0 1 295.342 3.782 20 0 CHADMN CC(C)[C@@H](CNCc1csnn1)c1ccc(Cl)cc1 ZINC000289188581 1127376837 /nfs/dbraw/zinc/37/68/37/1127376837.db2.gz AQFPIVRGUJCJOY-CQSZACIVSA-N 0 1 295.839 3.721 20 0 CHADMN Cc1ccccc1C(C)(C)NC(=O)c1cccc2nc[nH]c21 ZINC000357044020 1127386745 /nfs/dbraw/zinc/38/67/45/1127386745.db2.gz UDPSJVPBXRWZPD-UHFFFAOYSA-N 0 1 293.370 3.536 20 0 CHADMN Cc1nc([C@H](C)NCCOCC2CCCC2)c(C)s1 ZINC000313278991 1127397661 /nfs/dbraw/zinc/39/76/61/1127397661.db2.gz HJFGKQVVCYXIBS-NSHDSACASA-N 0 1 282.453 3.617 20 0 CHADMN CN(C(=O)c1cc(-c2ccccc2)[nH]n1)[C@@H]1CCC(C)(C)C1 ZINC000358046865 1127398838 /nfs/dbraw/zinc/39/88/38/1127398838.db2.gz JSOHZNHAVLNVHP-CQSZACIVSA-N 0 1 297.402 3.727 20 0 CHADMN CSc1ccccc1CN1CCc2ccccc2[C@H]1CO ZINC000358049784 1127399936 /nfs/dbraw/zinc/39/99/36/1127399936.db2.gz OLDNBBAOYOOYLB-QGZVFWFLSA-N 0 1 299.439 3.500 20 0 CHADMN Cc1cc([C@H](C)N[C@H](CO)c2ccc(F)cc2)c(C)s1 ZINC000358182325 1127406826 /nfs/dbraw/zinc/40/68/26/1127406826.db2.gz UJDOGGHWFRDXIK-MEDUHNTESA-N 0 1 293.407 3.888 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](CO)c2ccc(F)cc2)c(C)s1 ZINC000358182326 1127407071 /nfs/dbraw/zinc/40/70/71/1127407071.db2.gz UJDOGGHWFRDXIK-ZBEGNZNMSA-N 0 1 293.407 3.888 20 0 CHADMN FC(F)(F)[C@H]1CCN(CCOc2ccc(Cl)cc2)C1 ZINC000761044413 1127408154 /nfs/dbraw/zinc/40/81/54/1127408154.db2.gz KRXOWOWYDPPPLD-JTQLQIEISA-N 0 1 293.716 3.603 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@@H](c2cccnc2)C2CC2)cn1 ZINC000358353475 1127417066 /nfs/dbraw/zinc/41/70/66/1127417066.db2.gz OPDJJVZHGNOVTF-CXAGYDPISA-N 0 1 284.407 3.661 20 0 CHADMN COC(=O)c1ccc(CN2CCCC[C@@H]2c2ccccc2)[nH]1 ZINC000358305124 1127414351 /nfs/dbraw/zinc/41/43/51/1127414351.db2.gz XEEIJUIXWPSGGA-QGZVFWFLSA-N 0 1 298.386 3.529 20 0 CHADMN C[C@H]1CCCCCN1Cc1cc(-c2ccco2)on1 ZINC000358409565 1127419756 /nfs/dbraw/zinc/41/97/56/1127419756.db2.gz IIFIZPYHXVFHKP-LBPRGKRZSA-N 0 1 260.337 3.699 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C[C@@H](C)CC(C)C)c1 ZINC000358532519 1127425097 /nfs/dbraw/zinc/42/50/97/1127425097.db2.gz SBMUONVRRFEXGK-NSHDSACASA-N 0 1 277.364 3.606 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2ncc(Cl)s2)n1 ZINC000358612599 1127428742 /nfs/dbraw/zinc/42/87/42/1127428742.db2.gz UPPGFHKMSOPDLX-UHFFFAOYSA-N 0 1 288.829 3.504 20 0 CHADMN CC(C)(C)c1nc(SCc2ncc(Cl)s2)n[nH]1 ZINC000358612599 1127428744 /nfs/dbraw/zinc/42/87/44/1127428744.db2.gz UPPGFHKMSOPDLX-UHFFFAOYSA-N 0 1 288.829 3.504 20 0 CHADMN C[C@@H]1CSCC[N@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000358618664 1127428798 /nfs/dbraw/zinc/42/87/98/1127428798.db2.gz POMZHNBKNJLVPE-LLVKDONJSA-N 0 1 292.835 3.826 20 0 CHADMN C[C@@H]1CSCCN1Cc1c(Cl)ccc2cccnc21 ZINC000358618664 1127428800 /nfs/dbraw/zinc/42/88/00/1127428800.db2.gz POMZHNBKNJLVPE-LLVKDONJSA-N 0 1 292.835 3.826 20 0 CHADMN c1ccc(CCCCSCc2n[nH]c(C3CC3)n2)cc1 ZINC000358819103 1127434744 /nfs/dbraw/zinc/43/47/44/1127434744.db2.gz COUVSWQDMJTRMF-UHFFFAOYSA-N 0 1 287.432 3.938 20 0 CHADMN CCCCOCCN1CC(c2nc3ccccc3s2)C1 ZINC000358816355 1127435279 /nfs/dbraw/zinc/43/52/79/1127435279.db2.gz KNBASLDNPLVWHZ-UHFFFAOYSA-N 0 1 290.432 3.512 20 0 CHADMN C[C@H](CSCCF)NCc1c(F)cccc1Cl ZINC000595015470 1127441899 /nfs/dbraw/zinc/44/18/99/1127441899.db2.gz NUFVPZUVHZVJHU-SECBINFHSA-N 0 1 279.783 3.660 20 0 CHADMN CSCc1cnc(CNC2(CC(C)C)CC2)s1 ZINC000595000778 1127445343 /nfs/dbraw/zinc/44/53/43/1127445343.db2.gz OWCKVTSXXDHKLT-UHFFFAOYSA-N 0 1 270.467 3.674 20 0 CHADMN COC(=O)CC(C)(C)C[C@H](C)NCC(F)(F)C(C)(C)C ZINC000595105338 1127452791 /nfs/dbraw/zinc/45/27/91/1127452791.db2.gz DFVMQYICUISGCR-NSHDSACASA-N 0 1 293.398 3.625 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1ccc(C)cn1)[C@@H]2C ZINC000359302836 1127457608 /nfs/dbraw/zinc/45/76/08/1127457608.db2.gz UJIJZBUCJCFNIF-HUUCEWRRSA-N 0 1 296.414 3.906 20 0 CHADMN C[C@H]1CC[C@]2(CC[N@@H+](Cc3ccc(Cl)o3)C2)C1 ZINC000359299501 1127457697 /nfs/dbraw/zinc/45/76/97/1127457697.db2.gz LTUAAOZVGZVNHL-FZMZJTMJSA-N 0 1 253.773 3.945 20 0 CHADMN CSC[C@H]1CCCN1Cc1nsc2ccccc21 ZINC000595349672 1127458658 /nfs/dbraw/zinc/45/86/58/1127458658.db2.gz CKLBVALYNIUHIS-LLVKDONJSA-N 0 1 278.446 3.624 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000359334177 1127459396 /nfs/dbraw/zinc/45/93/96/1127459396.db2.gz RORGZWJHAKAGMO-RYUDHWBXSA-N 0 1 273.355 3.590 20 0 CHADMN CCOc1cccc(CN[C@@](C)(CC)c2ccccc2)n1 ZINC000158147346 1127460440 /nfs/dbraw/zinc/46/04/40/1127460440.db2.gz YYMCOZPNDDJBMP-SFHVURJKSA-N 0 1 284.403 3.895 20 0 CHADMN Cc1ccc2nc(CN[C@@H](c3cccnc3)C(C)C)cn2c1 ZINC000359390844 1127461458 /nfs/dbraw/zinc/46/14/58/1127461458.db2.gz OOJGXZNZBUWLAG-GOSISDBHSA-N 0 1 294.402 3.525 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1nsc2ccccc12 ZINC000595422685 1127462269 /nfs/dbraw/zinc/46/22/69/1127462269.db2.gz PBUQMKNFGVMELW-NSHDSACASA-N 0 1 280.462 3.870 20 0 CHADMN Cc1ccc2ncc(CNc3cc4c(cn3)CCCC4)n2c1 ZINC000359464919 1127464107 /nfs/dbraw/zinc/46/41/07/1127464107.db2.gz FFDVLKVTIOWKOI-UHFFFAOYSA-N 0 1 292.386 3.529 20 0 CHADMN CSc1ccc(NC(=O)CN2[C@H](C)CCC[C@H]2C)cc1 ZINC000595571764 1127466231 /nfs/dbraw/zinc/46/62/31/1127466231.db2.gz GPAVQDXDPWHXLP-CHWSQXEVSA-N 0 1 292.448 3.610 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000595571636 1127466276 /nfs/dbraw/zinc/46/62/76/1127466276.db2.gz LJKYSVPSIFZCDI-VXGBXAGGSA-N 0 1 295.810 3.874 20 0 CHADMN Cc1coc2ccc(NC(=O)c3cccc4nc[nH]c43)cc12 ZINC000359539139 1127467006 /nfs/dbraw/zinc/46/70/06/1127467006.db2.gz DJUOMHBUHRGWJU-UHFFFAOYSA-N 0 1 291.310 3.870 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359539051 1127467052 /nfs/dbraw/zinc/46/70/52/1127467052.db2.gz BKHGXELIOPMHSY-HSMVNMDESA-N 0 1 275.396 3.520 20 0 CHADMN CC(C)c1noc([C@H](C)[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)n1 ZINC000359569494 1127468549 /nfs/dbraw/zinc/46/85/49/1127468549.db2.gz YVKIUOOMZXMXRL-DVOMOZLQSA-N 0 1 277.412 3.766 20 0 CHADMN CC(C)c1noc([C@H](C)N2CC[C@@]3(CC[C@@H](C)C3)C2)n1 ZINC000359569494 1127468552 /nfs/dbraw/zinc/46/85/52/1127468552.db2.gz YVKIUOOMZXMXRL-DVOMOZLQSA-N 0 1 277.412 3.766 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccc3ncsc3c2)n1 ZINC000359683670 1127472717 /nfs/dbraw/zinc/47/27/17/1127472717.db2.gz WQHHFGYDZGFSJO-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN C[C@@H](NCc1cccc(F)c1)c1ccc(Cl)cn1 ZINC000359712271 1127475028 /nfs/dbraw/zinc/47/50/28/1127475028.db2.gz GQOGIQWWAPWLKA-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN COc1cccc(CN[C@H]2CCC(C)(C)c3ccccc32)n1 ZINC000359740445 1127476142 /nfs/dbraw/zinc/47/61/42/1127476142.db2.gz RVMZTJPOZITVAJ-KRWDZBQOSA-N 0 1 296.414 3.993 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CC[C@@H](SC)C1 ZINC001308786855 1127476806 /nfs/dbraw/zinc/47/68/06/1127476806.db2.gz IBDGGEAJRITVHI-CYBMUJFWSA-N 0 1 285.840 3.676 20 0 CHADMN COCCC1(CNc2cccc(C)n2)CCCCC1 ZINC000359846065 1127480484 /nfs/dbraw/zinc/48/04/84/1127480484.db2.gz DEOMTHNMXQOTRW-UHFFFAOYSA-N 0 1 262.397 3.789 20 0 CHADMN Brc1c[nH]c(CN2CCC[C@@H]3CCC[C@H]32)c1 ZINC001231574086 1127482806 /nfs/dbraw/zinc/48/28/06/1127482806.db2.gz ICNXDXXTCVADRT-GXFFZTMASA-N 0 1 283.213 3.542 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC(CCCO)CC1 ZINC000360085407 1127489068 /nfs/dbraw/zinc/48/90/68/1127489068.db2.gz ASXVCKPQBYKBHP-LBPRGKRZSA-N 0 1 283.362 3.510 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1ccc(C)nc1C ZINC000360150759 1127490914 /nfs/dbraw/zinc/49/09/14/1127490914.db2.gz STAIAGSFRCMLBL-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)CCCC(F)(F)F ZINC000360418703 1127498589 /nfs/dbraw/zinc/49/85/89/1127498589.db2.gz ZYBRBAJWBIJHMD-UHFFFAOYSA-N 0 1 285.269 3.542 20 0 CHADMN CSc1ccccc1C(=O)Nc1cc2cn[nH]c2cc1C ZINC000360452777 1127499925 /nfs/dbraw/zinc/49/99/25/1127499925.db2.gz XKOPSYZFNCRDJO-UHFFFAOYSA-N 0 1 297.383 3.846 20 0 CHADMN CCc1noc(C)c1CN[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000293574167 1127506820 /nfs/dbraw/zinc/50/68/20/1127506820.db2.gz BONRLBAKANDQTD-KPZWWZAWSA-N 0 1 284.403 3.877 20 0 CHADMN Cc1ccnc(CN[C@@H](C)C2(c3ccccc3)CCCC2)n1 ZINC000360786826 1127511595 /nfs/dbraw/zinc/51/15/95/1127511595.db2.gz LIAFKHYRBUEQJB-INIZCTEOSA-N 0 1 295.430 3.775 20 0 CHADMN COc1ccc(F)c(CN[C@@H]2CCc3c2cccc3F)c1 ZINC000293683095 1127512999 /nfs/dbraw/zinc/51/29/99/1127512999.db2.gz VTUCDNOZRZFBNF-QGZVFWFLSA-N 0 1 289.325 3.751 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1occc1C)CCS2 ZINC000293734294 1127516793 /nfs/dbraw/zinc/51/67/93/1127516793.db2.gz QHILSAYIPMFYBM-CQSZACIVSA-N 0 1 289.400 3.923 20 0 CHADMN Cc1cc(N2CCSC[C@H]2C)c2cc(F)ccc2n1 ZINC000360884257 1127517907 /nfs/dbraw/zinc/51/79/07/1127517907.db2.gz NQKDBOKNOKLGFA-LLVKDONJSA-N 0 1 276.380 3.624 20 0 CHADMN [O-]c1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)ccc1Cl ZINC001231733683 1127518481 /nfs/dbraw/zinc/51/84/81/1127518481.db2.gz CRVWXQGDPZSMLS-OCCSQVGLSA-N 0 1 265.784 3.810 20 0 CHADMN [O-]c1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)ccc1Cl ZINC001231733683 1127518483 /nfs/dbraw/zinc/51/84/83/1127518483.db2.gz CRVWXQGDPZSMLS-OCCSQVGLSA-N 0 1 265.784 3.810 20 0 CHADMN CC(C)(C)[C@@H]1CCCN1Cc1nnc(C2CC2)n1C1CC1 ZINC000360896565 1127518894 /nfs/dbraw/zinc/51/88/94/1127518894.db2.gz IMBGZZPRDDPJDN-AWEZNQCLSA-N 0 1 288.439 3.501 20 0 CHADMN Cc1sccc1CN(Cc1cccnc1)C1CC1 ZINC000293844160 1127525625 /nfs/dbraw/zinc/52/56/25/1127525625.db2.gz HICUESXSMWDVIP-UHFFFAOYSA-N 0 1 258.390 3.616 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2C[C@H](OC(C)C)C2(C)C)cs1 ZINC000360993382 1127526906 /nfs/dbraw/zinc/52/69/06/1127526906.db2.gz AVEJFLXBGFKVQG-GDLCADMTSA-N 0 1 282.453 3.694 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H]2CCC3(CCCCC3)O2)cs1 ZINC000360994601 1127527783 /nfs/dbraw/zinc/52/77/83/1127527783.db2.gz FVFZXFLQFGFADE-TZMCWYRMSA-N 0 1 294.464 3.984 20 0 CHADMN COc1ccc(F)c(CN[C@H](C)c2cccs2)c1 ZINC000293943691 1127535744 /nfs/dbraw/zinc/53/57/44/1127535744.db2.gz BGONDHCJIXYNDP-SNVBAGLBSA-N 0 1 265.353 3.747 20 0 CHADMN CC(C)n1cc([C@H](C)Nc2cc3c(cn2)CCCC3)cn1 ZINC000361189655 1127546383 /nfs/dbraw/zinc/54/63/83/1127546383.db2.gz VWOPXLRCJQAKOH-ZDUSSCGKSA-N 0 1 284.407 3.911 20 0 CHADMN c1ccc([C@H]2N(Cc3cccnc3)CC23CCC3)cc1 ZINC000294073874 1127547103 /nfs/dbraw/zinc/54/71/03/1127547103.db2.gz YPIZPVFRLWQVTD-QGZVFWFLSA-N 0 1 264.372 3.809 20 0 CHADMN CCN(Cc1ccc(Oc2ccccc2)o1)[C@@H]1CCOC1 ZINC000361237446 1127548980 /nfs/dbraw/zinc/54/89/80/1127548980.db2.gz ORCVXLYUTYDLPD-CQSZACIVSA-N 0 1 287.359 3.683 20 0 CHADMN CCN(CCC1CC1)Cc1occc1Br ZINC000761225877 1127550062 /nfs/dbraw/zinc/55/00/62/1127550062.db2.gz JIUYJXPWZMSUEM-UHFFFAOYSA-N 0 1 272.186 3.664 20 0 CHADMN COc1ccc(F)c(CN[C@H]2CCc3ccccc32)c1 ZINC000294125191 1127550526 /nfs/dbraw/zinc/55/05/26/1127550526.db2.gz NNXFEDKQARFBEE-KRWDZBQOSA-N 0 1 271.335 3.611 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)co1 ZINC000659917461 1127556030 /nfs/dbraw/zinc/55/60/30/1127556030.db2.gz AMPDAHBFAULAQO-CYBMUJFWSA-N 0 1 276.767 3.626 20 0 CHADMN Clc1ccc([C@H]2CCN(Cc3cscn3)C2)cc1 ZINC000361463493 1127564646 /nfs/dbraw/zinc/56/46/46/1127564646.db2.gz NNYWAPQNXLGJAE-LBPRGKRZSA-N 0 1 278.808 3.786 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccc(F)cc3)C2)c(C)s1 ZINC000361467051 1127565381 /nfs/dbraw/zinc/56/53/81/1127565381.db2.gz AYSHDCNQGDOUTC-AWEZNQCLSA-N 0 1 290.407 3.889 20 0 CHADMN C[C@H](C(=O)Nc1ccc(Cl)cc1F)N1[C@H](C)CC[C@H]1C ZINC000361497158 1127567121 /nfs/dbraw/zinc/56/71/21/1127567121.db2.gz XVXMIVVBHUCJGQ-GMTAPVOTSA-N 0 1 298.789 3.679 20 0 CHADMN CC[C@H]1CCCCN1Cc1nccn1-c1ccccc1 ZINC000361496306 1127567156 /nfs/dbraw/zinc/56/71/56/1127567156.db2.gz KMVLHARUTBVUKZ-HNNXBMFYSA-N 0 1 269.392 3.637 20 0 CHADMN CN(C)[C@H](CNc1nccc2sccc21)c1ccco1 ZINC000597895767 1127567413 /nfs/dbraw/zinc/56/74/13/1127567413.db2.gz IPNLEOVYLCJSEI-GFCCVEGCSA-N 0 1 287.388 3.604 20 0 CHADMN OCC[N@@H+](Cc1ccsc1Cl)C1CCCCC1 ZINC000361509313 1127568200 /nfs/dbraw/zinc/56/82/00/1127568200.db2.gz UHLXBXCHIPQUEK-UHFFFAOYSA-N 0 1 273.829 3.529 20 0 CHADMN OCCN(Cc1ccsc1Cl)C1CCCCC1 ZINC000361509313 1127568201 /nfs/dbraw/zinc/56/82/01/1127568201.db2.gz UHLXBXCHIPQUEK-UHFFFAOYSA-N 0 1 273.829 3.529 20 0 CHADMN COc1ccncc1CN[C@@H](C)c1cccc(C2CC2)c1 ZINC000294370250 1127568548 /nfs/dbraw/zinc/56/85/48/1127568548.db2.gz QYAHXZPZBKPMLU-ZDUSSCGKSA-N 0 1 282.387 3.818 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2csc(N(C)C3CC3)n2)C1 ZINC000361521111 1127569100 /nfs/dbraw/zinc/56/91/00/1127569100.db2.gz YQOCCQHKQJDCPV-INIZCTEOSA-N 0 1 293.480 3.754 20 0 CHADMN Cn1nccc1[C@@H]1CCCN(Cc2ccsc2Cl)C1 ZINC000361550868 1127571380 /nfs/dbraw/zinc/57/13/80/1127571380.db2.gz TZMXKUHRQKOTIY-LLVKDONJSA-N 0 1 295.839 3.515 20 0 CHADMN COCC1(C)CCN(Cc2ccsc2Cl)CC1 ZINC000361590685 1127574661 /nfs/dbraw/zinc/57/46/61/1127574661.db2.gz ZCWWRUKLUHOUQE-UHFFFAOYSA-N 0 1 273.829 3.650 20 0 CHADMN C[C@H]1CC[C@@]2(CCN(Cc3nccn3-c3ccccc3)C2)C1 ZINC000361587394 1127574825 /nfs/dbraw/zinc/57/48/25/1127574825.db2.gz OXHUSMIFWZLCSC-QFBILLFUSA-N 0 1 295.430 3.884 20 0 CHADMN C[C@@H]1CCCCCN1Cc1csc(N(C)C2CC2)n1 ZINC000361634050 1127578155 /nfs/dbraw/zinc/57/81/55/1127578155.db2.gz ZCRXKMSYCWCPDT-GFCCVEGCSA-N 0 1 279.453 3.506 20 0 CHADMN C[C@H]1CCCCCN1Cc1csc(N(C)C2CC2)n1 ZINC000361634051 1127578211 /nfs/dbraw/zinc/57/82/11/1127578211.db2.gz ZCRXKMSYCWCPDT-LBPRGKRZSA-N 0 1 279.453 3.506 20 0 CHADMN C[C@@H]1c2ccccc2C[N@H+]1[C@H]1CCc2ccccc2NC1=O ZINC000361748634 1127586429 /nfs/dbraw/zinc/58/64/29/1127586429.db2.gz RLTKFWMPIOHSMC-ACJLOTCBSA-N 0 1 292.382 3.517 20 0 CHADMN C[C@@H]1c2ccccc2CN1[C@H]1CCc2ccccc2NC1=O ZINC000361748634 1127586432 /nfs/dbraw/zinc/58/64/32/1127586432.db2.gz RLTKFWMPIOHSMC-ACJLOTCBSA-N 0 1 292.382 3.517 20 0 CHADMN CCC(C)=CC(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000294618406 1127587149 /nfs/dbraw/zinc/58/71/49/1127587149.db2.gz FBPGRUHCLFFZSS-GDXASINISA-N 0 1 299.374 3.709 20 0 CHADMN Cc1cc(CN2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000294626342 1127587674 /nfs/dbraw/zinc/58/76/74/1127587674.db2.gz ZLDKVVYRJWDUIL-LLVKDONJSA-N 0 1 263.328 3.831 20 0 CHADMN Cc1ccc([C@H]2CCC[C@H]2N(C)Cc2ncccn2)cc1 ZINC000361829856 1127592158 /nfs/dbraw/zinc/59/21/58/1127592158.db2.gz IWISJFPCPRYYOM-IAGOWNOFSA-N 0 1 281.403 3.553 20 0 CHADMN Cc1nc(CCN2CCc3cc(Cl)ccc3C2)cs1 ZINC000361848207 1127594059 /nfs/dbraw/zinc/59/40/59/1127594059.db2.gz HRWUTCHKIJXLII-UHFFFAOYSA-N 0 1 292.835 3.706 20 0 CHADMN CC1(C)OCC[C@H]1NCc1csc(-c2cccs2)n1 ZINC000294744647 1127596632 /nfs/dbraw/zinc/59/66/32/1127596632.db2.gz HNXMTDMFUZVEAX-GFCCVEGCSA-N 0 1 294.445 3.529 20 0 CHADMN CCCC[C@@H](NCc1cnns1)c1ccc(OC)cc1 ZINC000294888313 1127606314 /nfs/dbraw/zinc/60/63/14/1127606314.db2.gz CSKKGHPPYWHCLS-OAHLLOKOSA-N 0 1 291.420 3.568 20 0 CHADMN CC(C)c1nc([C@H](C)NCCC(C)(F)F)cs1 ZINC000294934742 1127609199 /nfs/dbraw/zinc/60/91/99/1127609199.db2.gz HREXOXRYAVURAK-VIFPVBQESA-N 0 1 262.369 3.962 20 0 CHADMN COc1ccc(Cl)cc1CN1CCC(SC)CC1 ZINC000602725779 1127609273 /nfs/dbraw/zinc/60/92/73/1127609273.db2.gz NLVBDVMSGPFUAV-UHFFFAOYSA-N 0 1 285.840 3.676 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1ccncc1C ZINC000294981145 1127611788 /nfs/dbraw/zinc/61/17/88/1127611788.db2.gz GERLUDYUZHBXQF-ZDUSSCGKSA-N 0 1 286.423 3.501 20 0 CHADMN CSCc1cnc(CNCC2=CCCCC2)s1 ZINC000295043291 1127615808 /nfs/dbraw/zinc/61/58/08/1127615808.db2.gz DZKPJIOBPXGAHU-UHFFFAOYSA-N 0 1 268.451 3.596 20 0 CHADMN CCS[C@H]1CCCC[C@@H]1NCC(=O)c1ccccc1F ZINC000602818237 1127616982 /nfs/dbraw/zinc/61/69/82/1127616982.db2.gz MGMJAUAIBMWUNP-HOCLYGCPSA-N 0 1 295.423 3.662 20 0 CHADMN C[C@@H]1C[C@@H](NCc2ccc(F)c(F)c2)c2ccccc2O1 ZINC000295022207 1127614932 /nfs/dbraw/zinc/61/49/32/1127614932.db2.gz KTEXJIXVCQCVOR-BDJLRTHQSA-N 0 1 289.325 3.967 20 0 CHADMN CSC1CCN(Cc2nsc3ccccc32)CC1 ZINC000602919627 1127621646 /nfs/dbraw/zinc/62/16/46/1127621646.db2.gz IQERUEVRCYAUBE-UHFFFAOYSA-N 0 1 278.446 3.624 20 0 CHADMN CCC1(CC)CN([C@@H](C)c2ncc(C)o2)CCS1 ZINC000362246498 1127622961 /nfs/dbraw/zinc/62/29/61/1127622961.db2.gz RCBVVNPEAFICRM-LBPRGKRZSA-N 0 1 268.426 3.652 20 0 CHADMN Cc1ccc(-c2cnc(CN3CCC(CF)CC3)o2)cc1 ZINC000295233035 1127629035 /nfs/dbraw/zinc/62/90/35/1127629035.db2.gz ZGSOWWZMENNUOO-UHFFFAOYSA-N 0 1 288.366 3.832 20 0 CHADMN CSCCCN[C@H](C(F)F)C1CCCCC1 ZINC000598650928 1127630310 /nfs/dbraw/zinc/63/03/10/1127630310.db2.gz SUTBDMOWRNRAKB-NSHDSACASA-N 0 1 251.386 3.543 20 0 CHADMN CSCCCN[C@@H](C(F)F)C1CCCCC1 ZINC000598650927 1127630383 /nfs/dbraw/zinc/63/03/83/1127630383.db2.gz SUTBDMOWRNRAKB-LLVKDONJSA-N 0 1 251.386 3.543 20 0 CHADMN CCC[C@@H](C)N(C)Cc1ncc(CSC)s1 ZINC000295294032 1127632917 /nfs/dbraw/zinc/63/29/17/1127632917.db2.gz JIWXKDXWFPFBGM-SNVBAGLBSA-N 0 1 258.456 3.627 20 0 CHADMN CCc1nc(CSC(C)(C)c2ccccc2)n[nH]1 ZINC000362404546 1127633824 /nfs/dbraw/zinc/63/38/24/1127633824.db2.gz URJWWENMSZEMID-UHFFFAOYSA-N 0 1 261.394 3.536 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1C[C@@H](C)CC[C@@H]1C ZINC000362435083 1127635467 /nfs/dbraw/zinc/63/54/67/1127635467.db2.gz CQBAVXMIFWFSDV-STQMWFEESA-N 0 1 289.398 3.816 20 0 CHADMN CCn1ccnc1[C@@H](C)NCc1c(C)cc(C)cc1C ZINC000295331482 1127635840 /nfs/dbraw/zinc/63/58/40/1127635840.db2.gz XOGZUQBBWOBBPI-OAHLLOKOSA-N 0 1 271.408 3.679 20 0 CHADMN CSCCCN(C)Cc1ccc(F)cc1Cl ZINC000362479055 1127639176 /nfs/dbraw/zinc/63/91/76/1127639176.db2.gz IUSHIQSWRVLBMG-UHFFFAOYSA-N 0 1 261.793 3.664 20 0 CHADMN Cc1ccc(SCCN[C@@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000295788039 1127652944 /nfs/dbraw/zinc/65/29/44/1127652944.db2.gz BJSOJDNJMJYXTK-UKRRQHHQSA-N 0 1 287.432 3.579 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@@H](O)CC(C)(C)C1 ZINC000295612502 1127648243 /nfs/dbraw/zinc/64/82/43/1127648243.db2.gz YJPFYJQODBSTMM-VXGBXAGGSA-N 0 1 283.362 3.509 20 0 CHADMN CCCC(N)=NOCCCSCc1ccccc1 ZINC000761310747 1127648411 /nfs/dbraw/zinc/64/84/11/1127648411.db2.gz WPNREBGAKVGAAS-UHFFFAOYSA-N 0 1 266.410 3.608 20 0 CHADMN Cc1ccc(SCCN[C@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000295788034 1127652709 /nfs/dbraw/zinc/65/27/09/1127652709.db2.gz BJSOJDNJMJYXTK-HIFRSBDPSA-N 0 1 287.432 3.579 20 0 CHADMN CC[C@@H](NCc1cn2ccccc2n1)c1ccsc1 ZINC000295926022 1127657111 /nfs/dbraw/zinc/65/71/11/1127657111.db2.gz JYYMVCISZZRIOU-CQSZACIVSA-N 0 1 271.389 3.637 20 0 CHADMN COc1ccc([C@H](N[C@H]2C[C@@H](C)n3ccnc32)C(C)C)cc1 ZINC000295972354 1127658816 /nfs/dbraw/zinc/65/88/16/1127658816.db2.gz MUALJEPPULCFJA-XOKHGSTOSA-N 0 1 299.418 3.884 20 0 CHADMN COc1ccc([C@H](N[C@@H]2C[C@H](C)n3ccnc32)C(C)C)cc1 ZINC000295972348 1127658951 /nfs/dbraw/zinc/65/89/51/1127658951.db2.gz MUALJEPPULCFJA-IAOVAPTHSA-N 0 1 299.418 3.884 20 0 CHADMN CCn1cc([C@@H](C)NCc2ccc(C(C)C)nc2C)cn1 ZINC000296096928 1127662789 /nfs/dbraw/zinc/66/27/89/1127662789.db2.gz PXIHOHMKFHGHHU-CYBMUJFWSA-N 0 1 286.423 3.581 20 0 CHADMN Fc1ccc(C2=CC[N@@H+](CCc3cscn3)CC2)cc1 ZINC000296237071 1127665779 /nfs/dbraw/zinc/66/57/79/1127665779.db2.gz FCBJRWZJXZQSBZ-UHFFFAOYSA-N 0 1 288.391 3.614 20 0 CHADMN Fc1ccc(C2=CCN(CCc3cscn3)CC2)cc1 ZINC000296237071 1127665781 /nfs/dbraw/zinc/66/57/81/1127665781.db2.gz FCBJRWZJXZQSBZ-UHFFFAOYSA-N 0 1 288.391 3.614 20 0 CHADMN Cc1ccc([C@@H]2[C@@H](C)CCCN2Cc2cn(C)cn2)cc1 ZINC000659946098 1127667605 /nfs/dbraw/zinc/66/76/05/1127667605.db2.gz ZVUDVIWVNPUXSX-YJBOKZPZSA-N 0 1 283.419 3.702 20 0 CHADMN CSCC[C@H](C)N(C)Cc1cc(O)ccc1Cl ZINC000599329456 1127668237 /nfs/dbraw/zinc/66/82/37/1127668237.db2.gz LBUHRNAYLYTRGF-JTQLQIEISA-N 0 1 273.829 3.619 20 0 CHADMN COc1nccc(CN[C@@H](c2cccc(C)c2)C(C)(C)C)n1 ZINC000296346764 1127669509 /nfs/dbraw/zinc/66/95/09/1127669509.db2.gz IRUOBHSTFAYXLT-INIZCTEOSA-N 0 1 299.418 3.671 20 0 CHADMN CC(C)CC[C@@H](NCc1n[nH]c(C(C)C)n1)c1ccoc1 ZINC000296586276 1127676799 /nfs/dbraw/zinc/67/67/99/1127676799.db2.gz USJARSBNKQKLGR-CQSZACIVSA-N 0 1 290.411 3.788 20 0 CHADMN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2cnc(Cl)s2)C1 ZINC000229393219 1127679676 /nfs/dbraw/zinc/67/96/76/1127679676.db2.gz OMEGMQMIAYWLCW-KXUCPTDWSA-N 0 1 258.818 3.663 20 0 CHADMN CC(F)(F)CCN[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000296642840 1127680057 /nfs/dbraw/zinc/68/00/57/1127680057.db2.gz CECRWNDCIFOBIH-OAHLLOKOSA-N 0 1 294.320 3.945 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1Cc1nc(C2CC2)no1 ZINC000296640541 1127680082 /nfs/dbraw/zinc/68/00/82/1127680082.db2.gz IIQLTTUMUMNACC-XJKCOSOUSA-N 0 1 297.402 3.714 20 0 CHADMN CCc1noc(C)c1CNc1ccc2cnccc2c1 ZINC000296826729 1127684432 /nfs/dbraw/zinc/68/44/32/1127684432.db2.gz MLWMEDDZEBUVHM-UHFFFAOYSA-N 0 1 267.332 3.706 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1CC(=O)Nc1ccccc1 ZINC000603944336 1127685170 /nfs/dbraw/zinc/68/51/70/1127685170.db2.gz LDUYSAOLGUOTTI-GOSISDBHSA-N 0 1 294.398 3.635 20 0 CHADMN COC(=O)C1C[C@H](C)N(Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000599704442 1127688941 /nfs/dbraw/zinc/68/89/41/1127688941.db2.gz DVVHRMMSVXOHOQ-RYUDHWBXSA-N 0 1 295.810 3.502 20 0 CHADMN COC(=O)C1C[C@@H](C)N(Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000599704443 1127689600 /nfs/dbraw/zinc/68/96/00/1127689600.db2.gz DVVHRMMSVXOHOQ-VXGBXAGGSA-N 0 1 295.810 3.502 20 0 CHADMN CSc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cn1 ZINC001232333362 1127689867 /nfs/dbraw/zinc/68/98/67/1127689867.db2.gz PIKXYRKJVUEPPO-ZIAGYGMSSA-N 0 1 262.422 3.568 20 0 CHADMN COc1cccc(CN2CCS[C@@H]3CCCC[C@H]32)c1F ZINC000669708930 1127691966 /nfs/dbraw/zinc/69/19/66/1127691966.db2.gz XHUJMWBHDTXKOG-UKRRQHHQSA-N 0 1 295.423 3.694 20 0 CHADMN CCCCN(C(=O)c1cnc[nH]1)[C@@H](CC)c1ccccc1 ZINC000604088286 1127693396 /nfs/dbraw/zinc/69/33/96/1127693396.db2.gz ZSGZLFQGBPNFST-INIZCTEOSA-N 0 1 285.391 3.803 20 0 CHADMN FC(F)Oc1cccc(NCc2ccc3nc[nH]c3c2)c1 ZINC000604064428 1127693471 /nfs/dbraw/zinc/69/34/71/1127693471.db2.gz RIWVZKVURAEHRB-UHFFFAOYSA-N 0 1 289.285 3.776 20 0 CHADMN CC(C)c1ccc(O[C@H](C)CN[C@@H]2CCn3ccnc32)cc1 ZINC000297468879 1127696964 /nfs/dbraw/zinc/69/69/64/1127696964.db2.gz YLTAOXFHNWPNLD-RHSMWYFYSA-N 0 1 299.418 3.508 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H](C)c1cccc(C)c1C ZINC000297592665 1127700935 /nfs/dbraw/zinc/70/09/35/1127700935.db2.gz HSMTYMDCJFJLRH-GJZGRUSLSA-N 0 1 271.408 3.932 20 0 CHADMN CC(C)=CCN[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000364573982 1127705400 /nfs/dbraw/zinc/70/54/00/1127705400.db2.gz IWZAROWRAVWBPT-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN CCOC1(C)CCN([C@H](C)c2nc3ccccc3o2)CC1 ZINC000298226133 1127717073 /nfs/dbraw/zinc/71/70/73/1127717073.db2.gz GSFZFQALFDGDGV-CYBMUJFWSA-N 0 1 288.391 3.780 20 0 CHADMN Cc1cccc(F)c1CN1CC(C)(C)OC(C)(C)C1 ZINC001232484182 1127721307 /nfs/dbraw/zinc/72/13/07/1127721307.db2.gz WYTINNLSQPJACA-UHFFFAOYSA-N 0 1 265.372 3.524 20 0 CHADMN Fc1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c(Cl)c1Cl ZINC000365316497 1127725872 /nfs/dbraw/zinc/72/58/72/1127725872.db2.gz GJKPGXADTGHHMH-IEBDPFPHSA-N 0 1 290.165 3.542 20 0 CHADMN COc1cc(C)nc(CN[C@H](c2ccccc2C)C2CC2)c1 ZINC000298849194 1127734774 /nfs/dbraw/zinc/73/47/74/1127734774.db2.gz IMSTWUBRSHZNGQ-IBGZPJMESA-N 0 1 296.414 3.948 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cn3cccnc3n2)c(C)c1 ZINC000299031910 1127738691 /nfs/dbraw/zinc/73/86/91/1127738691.db2.gz QOXORTIRILYCHO-HNNXBMFYSA-N 0 1 294.402 3.539 20 0 CHADMN CO[C@@]1(C)CCC[N@@H+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000366273985 1127745103 /nfs/dbraw/zinc/74/51/03/1127745103.db2.gz UEFGQVQGNQXSSW-INIZCTEOSA-N 0 1 296.480 3.832 20 0 CHADMN CO[C@@]1(C)CCCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000366273985 1127745106 /nfs/dbraw/zinc/74/51/06/1127745106.db2.gz UEFGQVQGNQXSSW-INIZCTEOSA-N 0 1 296.480 3.832 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000615223923 1127748375 /nfs/dbraw/zinc/74/83/75/1127748375.db2.gz CSDYUFHQRMYOJQ-UHFFFAOYSA-N 0 1 271.364 3.522 20 0 CHADMN Cc1nc(CN[C@H]2C[C@H](c3ccccc3C)C2)cs1 ZINC000367199053 1127751131 /nfs/dbraw/zinc/75/11/31/1127751131.db2.gz HZSDKZWYSPPECN-HDJSIYSDSA-N 0 1 272.417 3.796 20 0 CHADMN CCCN1C(=O)N=NC1S[C@H](CC)c1ccc(F)cc1 ZINC000606151473 1127751862 /nfs/dbraw/zinc/75/18/62/1127751862.db2.gz WPTNOAWHMDBUHZ-GFCCVEGCSA-N 0 1 295.383 3.776 20 0 CHADMN CCOc1ccnc(CN(CC)Cc2ccccc2)c1 ZINC001232579502 1127751586 /nfs/dbraw/zinc/75/15/86/1127751586.db2.gz NSHZQGDTURPMEK-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN Cc1cc(CNC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)n[nH]1 ZINC000606372264 1127760195 /nfs/dbraw/zinc/76/01/95/1127760195.db2.gz MGRQCIWNSPCCMM-CYBMUJFWSA-N 0 1 299.418 3.652 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1Cc1nnc(C(C)C)o1 ZINC000606433937 1127762248 /nfs/dbraw/zinc/76/22/48/1127762248.db2.gz DATZQQSIWGGECG-CHWSQXEVSA-N 0 1 265.401 3.594 20 0 CHADMN C[C@H]1c2ccc(F)cc2CCN1CCOC(C)(C)C ZINC000606449174 1127762639 /nfs/dbraw/zinc/76/26/39/1127762639.db2.gz PIWAKWZXYDJDJM-LBPRGKRZSA-N 0 1 265.372 3.560 20 0 CHADMN CCO[C@H]1CCCN([C@@H](CC)c2ccc(F)cc2F)C1 ZINC000606438331 1127763201 /nfs/dbraw/zinc/76/32/01/1127763201.db2.gz LOKCWPWULJHIRA-BBRMVZONSA-N 0 1 283.362 3.917 20 0 CHADMN CN(Cc1nnc2n1CCCCC2)C1CCCCCCC1 ZINC000370895623 1127763769 /nfs/dbraw/zinc/76/37/69/1127763769.db2.gz PPVMBOHMJRFJQW-UHFFFAOYSA-N 0 1 290.455 3.549 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)C[C@@H]2c2ccco2)nc(C)n1 ZINC000659970946 1127764124 /nfs/dbraw/zinc/76/41/24/1127764124.db2.gz SMFNAAIGIGVTBZ-MLGOLLRUSA-N 0 1 285.391 3.660 20 0 CHADMN C[C@@H]1CC(C)(C)C[N@H+]1[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001326503052 1127765925 /nfs/dbraw/zinc/76/59/25/1127765925.db2.gz RZXFTKJJEMPVLK-ZWNOBZJWSA-N 0 1 281.783 3.586 20 0 CHADMN CC(C)CCOCCN1CCc2cc(F)ccc2[C@@H]1C ZINC000606540334 1127766130 /nfs/dbraw/zinc/76/61/30/1127766130.db2.gz IQWJLJDMLCMANZ-AWEZNQCLSA-N 0 1 279.399 3.808 20 0 CHADMN CC(C)SCCN(C)[C@H](C)c1ccccc1F ZINC000409445090 1127767557 /nfs/dbraw/zinc/76/75/57/1127767557.db2.gz UEOPDZDNLALQNV-GFCCVEGCSA-N 0 1 255.402 3.960 20 0 CHADMN c1cc2c(s1)CCN(C[C@H]1CCC3(CCCCC3)O1)C2 ZINC000409446388 1127769631 /nfs/dbraw/zinc/76/96/31/1127769631.db2.gz UIKGBYQZAPBXTQ-OAHLLOKOSA-N 0 1 291.460 3.988 20 0 CHADMN CC(C)(C)c1cnc(CN2CC[C@H](C(C)(C)C)C2)o1 ZINC000409445914 1127770236 /nfs/dbraw/zinc/77/02/36/1127770236.db2.gz GTUAOBFZCJYRRO-LBPRGKRZSA-N 0 1 264.413 3.840 20 0 CHADMN C[C@H]1CC[C@]2(CCN(Cc3nnc(-c4ccccc4)o3)C2)C1 ZINC000371619187 1127772704 /nfs/dbraw/zinc/77/27/04/1127772704.db2.gz PAKYNUPAAVRWEI-KSSFIOAISA-N 0 1 297.402 3.749 20 0 CHADMN COc1ccc(C2=CCN(Cc3cnccc3C)CC2)cc1 ZINC000372188059 1127791600 /nfs/dbraw/zinc/79/16/00/1127791600.db2.gz USRSGUWCBYJJEK-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2cc(Br)ccc2F)C1 ZINC000607154815 1127789381 /nfs/dbraw/zinc/78/93/81/1127789381.db2.gz DBGLYCOFMXIBDP-UWVGGRQHSA-N 0 1 286.188 3.819 20 0 CHADMN CC(C)n1nccc1C[N@@H+](C)CCC1CCCCC1 ZINC000410346294 1127805840 /nfs/dbraw/zinc/80/58/40/1127805840.db2.gz VFXPQQBKSMRIBZ-UHFFFAOYSA-N 0 1 263.429 3.866 20 0 CHADMN CCC(O)(CC)CN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000819273872 1131241273 /nfs/dbraw/zinc/24/12/73/1131241273.db2.gz DGXOJDSLQVAUBX-GOSISDBHSA-N 0 1 298.430 3.620 20 0 CHADMN CC(C)[C@@H](c1ccccc1)N(C)Cn1cc[nH]c1=S ZINC000173345541 1127819634 /nfs/dbraw/zinc/81/96/34/1127819634.db2.gz QVSLBSZEQBECOZ-AWEZNQCLSA-N 0 1 275.421 3.832 20 0 CHADMN c1coc(-c2nc(CN3CCCC34CCC4)cs2)c1 ZINC000373102879 1127822867 /nfs/dbraw/zinc/82/28/67/1127822867.db2.gz CCAVYBKHANSOOR-UHFFFAOYSA-N 0 1 274.389 3.922 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CCCC23CCC3)s1 ZINC000373102049 1127822895 /nfs/dbraw/zinc/82/28/95/1127822895.db2.gz YTLMFRLPVSJZQZ-UHFFFAOYSA-N 0 1 290.354 3.989 20 0 CHADMN Cc1cc(CNCc2cccc(F)c2F)c(C)s1 ZINC000608058511 1127846430 /nfs/dbraw/zinc/84/64/30/1127846430.db2.gz XRSJHCPJNHRYFS-UHFFFAOYSA-N 0 1 267.344 3.933 20 0 CHADMN CCC[N@@H+](CCc1cccc(F)c1)[C@H](C)c1nnc(C)o1 ZINC000411274395 1127850439 /nfs/dbraw/zinc/85/04/39/1127850439.db2.gz WKBARJIQOJLSJJ-GFCCVEGCSA-N 0 1 291.370 3.533 20 0 CHADMN CCCN(CCc1cccc(F)c1)[C@H](C)c1nnc(C)o1 ZINC000411274395 1127850442 /nfs/dbraw/zinc/85/04/42/1127850442.db2.gz WKBARJIQOJLSJJ-GFCCVEGCSA-N 0 1 291.370 3.533 20 0 CHADMN CCc1ccc(CN[C@@H](c2ncccc2C)C(C)C)nc1 ZINC000411378510 1127857321 /nfs/dbraw/zinc/85/73/21/1127857321.db2.gz NYCHVHXIEPXWAK-QGZVFWFLSA-N 0 1 283.419 3.834 20 0 CHADMN CCc1ccc(CN[C@H](CC)c2ccc(OC)cc2)nc1 ZINC000411442959 1127860480 /nfs/dbraw/zinc/86/04/80/1127860480.db2.gz XCWVTSVWXDTXEL-GOSISDBHSA-N 0 1 284.403 3.894 20 0 CHADMN COC(=O)c1cc(CN[C@@H](C)c2ccc(C)cc2)cs1 ZINC000411465160 1127860828 /nfs/dbraw/zinc/86/08/28/1127860828.db2.gz VYNMLXMFXDWGSY-LBPRGKRZSA-N 0 1 289.400 3.694 20 0 CHADMN CC(C)n1ncnc1CN1CCC[C@@H](c2ccccc2)CC1 ZINC000373920763 1127866719 /nfs/dbraw/zinc/86/67/19/1127866719.db2.gz YMCAVDGEYCHEIR-QGZVFWFLSA-N 0 1 298.434 3.629 20 0 CHADMN CN(Cc1cc(C(C)(C)C)n[nH]1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000411653677 1127867831 /nfs/dbraw/zinc/86/78/31/1127867831.db2.gz WXBLLIOWOUBWRU-HZPDHXFCSA-N 0 1 283.419 3.695 20 0 CHADMN Cc1ccc(-c2noc(CN3CCC(C(C)C)CC3)n2)cc1 ZINC000608499378 1127871393 /nfs/dbraw/zinc/87/13/93/1127871393.db2.gz IFURIXBODHDMJL-UHFFFAOYSA-N 0 1 299.418 3.913 20 0 CHADMN Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CO1 ZINC000608498749 1127871558 /nfs/dbraw/zinc/87/15/58/1127871558.db2.gz CSXRXUNMVFDNBC-APWZRJJASA-N 0 1 281.399 3.957 20 0 CHADMN Cc1ccccc1[C@@H]1CN(Cc2ccccc2)[C@H](C)CO1 ZINC000608498749 1127871562 /nfs/dbraw/zinc/87/15/62/1127871562.db2.gz CSXRXUNMVFDNBC-APWZRJJASA-N 0 1 281.399 3.957 20 0 CHADMN CC(C)(C)c1cnc(CN2C3CCCC2CCC3)o1 ZINC000608499415 1127872107 /nfs/dbraw/zinc/87/21/07/1127872107.db2.gz JIQVZAWZQUACEG-UHFFFAOYSA-N 0 1 262.397 3.879 20 0 CHADMN C[C@H](NCCSC1CCCCC1)c1nccs1 ZINC000411883012 1127878274 /nfs/dbraw/zinc/87/82/74/1127878274.db2.gz MYGSTHFDBNJBLJ-NSHDSACASA-N 0 1 270.467 3.860 20 0 CHADMN CCCCc1nc(CN[C@H](C)[C@@](C)(OC)C2CC2)cs1 ZINC000411944575 1127881734 /nfs/dbraw/zinc/88/17/34/1127881734.db2.gz JYILRZZJFUGHKI-MLGOLLRUSA-N 0 1 296.480 3.779 20 0 CHADMN CCN(CC(=O)Nc1ccccc1Cl)C1CC(C)(C)C1 ZINC000412045902 1127891229 /nfs/dbraw/zinc/89/12/29/1127891229.db2.gz ZQEULSMFKXPPSW-UHFFFAOYSA-N 0 1 294.826 3.789 20 0 CHADMN C[C@H]1CC(C)(C)CN1Cc1cc(-c2ccco2)on1 ZINC000412029173 1127891106 /nfs/dbraw/zinc/89/11/06/1127891106.db2.gz XVKPWXYIXGMPMJ-NSHDSACASA-N 0 1 260.337 3.555 20 0 CHADMN Cc1cccc(NC(=O)CN2CCC3(CCCC3)C2)c1C ZINC000174278034 1127888156 /nfs/dbraw/zinc/88/81/56/1127888156.db2.gz PPHPRFLPQWNCIN-UHFFFAOYSA-N 0 1 286.419 3.508 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CC(C)(C)C[C@@H]1C ZINC000412030505 1127891435 /nfs/dbraw/zinc/89/14/35/1127891435.db2.gz ZMWVYRRZBQMSHI-AWEZNQCLSA-N 0 1 288.435 3.869 20 0 CHADMN CC[C@H]1CCC[C@H]1NCc1nc(CCc2ccccc2)no1 ZINC000429792799 1127904915 /nfs/dbraw/zinc/90/49/15/1127904915.db2.gz UZHQNURABBEJDT-JKSUJKDBSA-N 0 1 299.418 3.523 20 0 CHADMN COc1cc(C)nc(CN2CC=C(C(C)(C)C)CC2)c1 ZINC000535377279 1127914119 /nfs/dbraw/zinc/91/41/19/1127914119.db2.gz CBVRONRJCLLWRN-UHFFFAOYSA-N 0 1 274.408 3.577 20 0 CHADMN COCCCOc1cccc(-c2nc3cccc(C)c3[nH]2)c1 ZINC000535364052 1127914248 /nfs/dbraw/zinc/91/42/48/1127914248.db2.gz BWLCRYHXXWWYHM-UHFFFAOYSA-N 0 1 296.370 3.954 20 0 CHADMN CSCCN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000535571023 1127920354 /nfs/dbraw/zinc/92/03/54/1127920354.db2.gz VYVXZPBTHOUWEC-CYBMUJFWSA-N 0 1 287.881 3.793 20 0 CHADMN CCn1cc(CN[C@H](c2ccccc2)C2CCCCC2)nn1 ZINC000404506069 1127924905 /nfs/dbraw/zinc/92/49/05/1127924905.db2.gz LXDJPNSCRKLNOX-GOSISDBHSA-N 0 1 298.434 3.709 20 0 CHADMN C[C@@H](NC1(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000539655311 1127934744 /nfs/dbraw/zinc/93/47/44/1127934744.db2.gz PQMOZLNQMNLFJM-GFCCVEGCSA-N 0 1 299.345 3.894 20 0 CHADMN C[C@H](C(=O)Nc1cccc2c1CN(C1CC1)C2)C(C)(C)C ZINC000375241031 1127936548 /nfs/dbraw/zinc/93/65/48/1127936548.db2.gz YTHHXSVIWBHEKJ-GFCCVEGCSA-N 0 1 286.419 3.785 20 0 CHADMN COC(=O)c1ccc(CN[C@@H](C)c2cc(C)sc2C)o1 ZINC000035276414 1127936772 /nfs/dbraw/zinc/93/67/72/1127936772.db2.gz MSMVBBOFBDKJCE-JTQLQIEISA-N 0 1 293.388 3.595 20 0 CHADMN CC(C)=CCCN1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000660003977 1127939358 /nfs/dbraw/zinc/93/93/58/1127939358.db2.gz XKHMDWPFVZZGNG-UKRRQHHQSA-N 0 1 265.422 3.866 20 0 CHADMN COc1cccc(Cl)c1CN(C)[C@H](C)CCSC ZINC000539817064 1127941593 /nfs/dbraw/zinc/94/15/93/1127941593.db2.gz IUHILLSLCLEWCE-LLVKDONJSA-N 0 1 287.856 3.922 20 0 CHADMN Fc1ccc2c(c1)CC[N@H+](Cc1ccc([S-])cc1)C2 ZINC001233262271 1127941193 /nfs/dbraw/zinc/94/11/93/1127941193.db2.gz YSVPGOPVJDEKGL-UHFFFAOYSA-N 0 1 273.376 3.673 20 0 CHADMN CCCCOc1ccc(CN(C)Cc2cccn2C)cc1 ZINC000539816925 1127942330 /nfs/dbraw/zinc/94/23/30/1127942330.db2.gz FBPWUSWKYMDGHI-UHFFFAOYSA-N 0 1 286.419 3.836 20 0 CHADMN C[C@H]1CCCC[C@@H]1OCCN(C)Cc1cc(Cl)cn1C ZINC000466958416 1127951583 /nfs/dbraw/zinc/95/15/83/1127951583.db2.gz VITPXJCPVVCIHM-BBRMVZONSA-N 0 1 298.858 3.706 20 0 CHADMN COc1ccccc1CN(C)C/C=C/c1ccc(F)cc1 ZINC000505628779 1127957818 /nfs/dbraw/zinc/95/78/18/1127957818.db2.gz AYDPWUYJAQXVCW-AATRIKPKSA-N 0 1 285.362 3.980 20 0 CHADMN CCCc1cccc(CNCc2c3c(nn2C)CCCC3)c1 ZINC000462870170 1127957873 /nfs/dbraw/zinc/95/78/73/1127957873.db2.gz JTYZOPRUKMFQBZ-UHFFFAOYSA-N 0 1 297.446 3.541 20 0 CHADMN C[C@H]1CN(Cc2nc3ccc(F)cc3o2)CC(C)(C)C1 ZINC000544111185 1127959052 /nfs/dbraw/zinc/95/90/52/1127959052.db2.gz NWMFYPCLYOPTSO-LLVKDONJSA-N 0 1 276.355 3.835 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c[nH]nc21)c1cc2c(s1)CCC2 ZINC000540164051 1127966787 /nfs/dbraw/zinc/96/67/87/1127966787.db2.gz SHRDEHYSVWXLTC-GXFFZTMASA-N 0 1 287.432 3.688 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2nc(-c3cccs3)no2)C1 ZINC000544188302 1127962670 /nfs/dbraw/zinc/96/26/70/1127962670.db2.gz XEOPGRKBICAPHQ-LLVKDONJSA-N 0 1 291.420 3.666 20 0 CHADMN COc1ccc2nc(CN3CCCC(C)(C)C3)sc2c1 ZINC000467293736 1127963646 /nfs/dbraw/zinc/96/36/46/1127963646.db2.gz OLJAKJIXFCQIBZ-UHFFFAOYSA-N 0 1 290.432 3.927 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1cccc(F)c1)c1cccs1 ZINC000540184977 1127968069 /nfs/dbraw/zinc/96/80/69/1127968069.db2.gz XVTCPRNKIZVLIV-KGLIPLIRSA-N 0 1 279.380 3.662 20 0 CHADMN CCCCn1cc(CN[C@H](C)c2cccc(F)c2)c(C)n1 ZINC000540316332 1127974270 /nfs/dbraw/zinc/97/42/70/1127974270.db2.gz WFRIHRWNBGONGT-CYBMUJFWSA-N 0 1 289.398 3.982 20 0 CHADMN CCCCN(C(=O)[C@@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000467632309 1127975990 /nfs/dbraw/zinc/97/59/90/1127975990.db2.gz DUDMUWZKYXWESI-OAHLLOKOSA-N 0 1 297.402 3.663 20 0 CHADMN CC[C@H](N[C@H]1CCCc2ccccc21)c1ccn(C)n1 ZINC000544579014 1127977455 /nfs/dbraw/zinc/97/74/55/1127977455.db2.gz KKFNCGSLYVXFPC-HOTGVXAUSA-N 0 1 269.392 3.538 20 0 CHADMN CC[C@H](N[C@@H](c1cccs1)C1CC1)c1ccn(C)n1 ZINC000544578704 1127977486 /nfs/dbraw/zinc/97/74/86/1127977486.db2.gz DGPVHWLEMXBDHO-SWLSCSKDSA-N 0 1 275.421 3.674 20 0 CHADMN CC(C)[C@@H]1CCN1Cc1cccc(Br)c1 ZINC000540499835 1127981726 /nfs/dbraw/zinc/98/17/26/1127981726.db2.gz OUZKDYGUWAYCQX-ZDUSSCGKSA-N 0 1 268.198 3.679 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CCOCC2(CCC2)C1 ZINC000544760934 1127983470 /nfs/dbraw/zinc/98/34/70/1127983470.db2.gz SEECFQKIGWVRTB-MRXNPFEDSA-N 0 1 295.373 3.918 20 0 CHADMN CC[C@@H](C)[C@H](NCc1ccn(C)n1)c1ccc(Cl)cc1 ZINC000540629419 1127987624 /nfs/dbraw/zinc/98/76/24/1127987624.db2.gz FNBBBUFKAMFILT-WBMJQRKESA-N 0 1 291.826 3.951 20 0 CHADMN CCc1ccc(-c2noc(CN(CC)CCC3CC3)n2)cc1 ZINC000544898859 1127989004 /nfs/dbraw/zinc/98/90/04/1127989004.db2.gz XWVXARBEZITEHY-UHFFFAOYSA-N 0 1 299.418 3.921 20 0 CHADMN Cc1ccc(C)c([C@H](C)N(C)Cc2cnc(C)nc2)c1 ZINC000507204149 1127992306 /nfs/dbraw/zinc/99/23/06/1127992306.db2.gz QEQQOCVPAZNCJF-AWEZNQCLSA-N 0 1 269.392 3.595 20 0 CHADMN CC[C@]1(C)CCN([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000468135068 1127993927 /nfs/dbraw/zinc/99/39/27/1127993927.db2.gz XTZBGYQDBFWHHP-IAQYHMDHSA-N 0 1 291.420 3.981 20 0 CHADMN CCc1cc(=O)[nH]c(CN(CC)[C@@H](CC)c2ccccc2)n1 ZINC000468274826 1128000939 /nfs/dbraw/zinc/00/09/39/1128000939.db2.gz RCEGJHWFEOSOAH-INIZCTEOSA-N 0 1 299.418 3.718 20 0 CHADMN CC(C)(CC[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])C1CC1 ZINC000405962017 1128008252 /nfs/dbraw/zinc/00/82/52/1128008252.db2.gz PCFZGMZISPSUDK-CFVMTHIKSA-N 0 1 279.424 3.530 20 0 CHADMN Cc1nc(C)c(CN2CCCCC[C@@H]2c2ccco2)[nH]1 ZINC000929677273 1128020160 /nfs/dbraw/zinc/02/01/60/1128020160.db2.gz WBRVIUCBHXLGLL-OAHLLOKOSA-N 0 1 273.380 3.737 20 0 CHADMN C[C@H](NCCOC1CC1)c1cc(Cl)ccc1Cl ZINC000714975030 1128024517 /nfs/dbraw/zinc/02/45/17/1128024517.db2.gz MYZZXQREWJYQSZ-VIFPVBQESA-N 0 1 274.191 3.823 20 0 CHADMN C[C@]1(NCc2c(F)cccc2Cl)CCO[C@H]1C1CC1 ZINC000541378268 1128021117 /nfs/dbraw/zinc/02/11/17/1128021117.db2.gz OKKGJOBGAYHTBY-GJZGRUSLSA-N 0 1 283.774 3.526 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000541619448 1128031647 /nfs/dbraw/zinc/03/16/47/1128031647.db2.gz UBMNFVMJEGAUFY-WPGHFRTFSA-N 0 1 297.389 3.755 20 0 CHADMN C[C@@H]1C[C@H]1c1noc(-c2ccc3[nH]c(C(F)F)nc3c2)n1 ZINC000545773385 1128033361 /nfs/dbraw/zinc/03/33/61/1128033361.db2.gz FOWDOCGQIOCZHM-HTRCEHHLSA-N 0 1 290.273 3.674 20 0 CHADMN Cc1nnc([C@@H](C)N[C@H](C)CCSc2ccccc2)o1 ZINC000541684876 1128033561 /nfs/dbraw/zinc/03/35/61/1128033561.db2.gz HXQIJWFGAAPOBY-VXGBXAGGSA-N 0 1 291.420 3.600 20 0 CHADMN Cc1nnc([C@H](C)N[C@@H](C)CCSc2ccccc2)o1 ZINC000541684874 1128033834 /nfs/dbraw/zinc/03/38/34/1128033834.db2.gz HXQIJWFGAAPOBY-RYUDHWBXSA-N 0 1 291.420 3.600 20 0 CHADMN CC(C)CO[C@H]1CCN(C/C=C/c2ccc(F)cc2F)C1 ZINC000541772274 1128038073 /nfs/dbraw/zinc/03/80/73/1128038073.db2.gz YRGOIJZIVBHKRO-CWDCEQMOSA-N 0 1 295.373 3.725 20 0 CHADMN CCCCCC(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000469263936 1128038826 /nfs/dbraw/zinc/03/88/26/1128038826.db2.gz MRPDSVVEYBBLRR-HNNXBMFYSA-N 0 1 290.407 3.591 20 0 CHADMN COc1ccc(Cl)cc1CN1CCC[C@H](C)C1 ZINC000302734837 1128040242 /nfs/dbraw/zinc/04/02/42/1128040242.db2.gz BZHBDWGNIROVJW-NSHDSACASA-N 0 1 253.773 3.581 20 0 CHADMN CCC1(CC)CN(CCC2CCCCC2)CC[S@@]1=O ZINC000469444425 1128043590 /nfs/dbraw/zinc/04/35/90/1128043590.db2.gz LGTATDAYNMSQKG-IBGZPJMESA-N 0 1 285.497 3.580 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@@]3(CC[C@@H](C)C3)C2)n1 ZINC000541948378 1128044776 /nfs/dbraw/zinc/04/47/76/1128044776.db2.gz HDJAQMWNRADNIP-JKIFEVAISA-N 0 1 291.439 3.985 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@@]3(CC[C@H](C)C3)C2)n1 ZINC000541948376 1128045142 /nfs/dbraw/zinc/04/51/42/1128045142.db2.gz HDJAQMWNRADNIP-GRDNDAEWSA-N 0 1 291.439 3.985 20 0 CHADMN COc1cccc2c1CCN(CCCCC(F)(F)F)C2 ZINC000542015648 1128047902 /nfs/dbraw/zinc/04/79/02/1128047902.db2.gz PHEKRVJVNDGHAY-UHFFFAOYSA-N 0 1 287.325 3.786 20 0 CHADMN COc1ccnc(CNC2(c3cccc(C)c3)CCCC2)c1 ZINC000542205082 1128056303 /nfs/dbraw/zinc/05/63/03/1128056303.db2.gz KVCOYOYDCAOZAO-UHFFFAOYSA-N 0 1 296.414 3.958 20 0 CHADMN CC[C@@H]1CN(C[C@H](OC)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000669929824 1128059585 /nfs/dbraw/zinc/05/95/85/1128059585.db2.gz KDTGFVPAQCLZPA-WQVCFCJDSA-N 0 1 297.826 3.527 20 0 CHADMN c1ccc(C(c2ccccc2)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000669930564 1128062729 /nfs/dbraw/zinc/06/27/29/1128062729.db2.gz BHPFTSYAGMIILL-HDICACEKSA-N 0 1 279.383 3.639 20 0 CHADMN Cc1cccc(-c2noc(C[N@H+]3CC[C@H](C(C)(C)C)C3)n2)c1 ZINC000542323623 1128063587 /nfs/dbraw/zinc/06/35/87/1128063587.db2.gz VUWBPJBRBAISAX-HNNXBMFYSA-N 0 1 299.418 3.913 20 0 CHADMN Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C(C)(C)C)C2)c(C)c1 ZINC000542321889 1128063966 /nfs/dbraw/zinc/06/39/66/1128063966.db2.gz QDNHJTHFXLWFKD-OAHLLOKOSA-N 0 1 288.435 3.610 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN[C@H](C)c2ccsc2)c1 ZINC000669938219 1128076513 /nfs/dbraw/zinc/07/65/13/1128076513.db2.gz HKWPTDXTYXQMNJ-CYBMUJFWSA-N 0 1 288.416 3.654 20 0 CHADMN Cc1ccnc(NC[C@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC000470505250 1128072549 /nfs/dbraw/zinc/07/25/49/1128072549.db2.gz BAIFCAUOVCZQRO-HIFRSBDPSA-N 0 1 262.397 3.643 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccsc1)C(=O)c1c[nH]c2ncccc12 ZINC000669937518 1128075117 /nfs/dbraw/zinc/07/51/17/1128075117.db2.gz JURKIZZLYIWPFW-WDEREUQCSA-N 0 1 299.399 3.546 20 0 CHADMN CC(C)(C)c1ccccc1NC(=O)c1cc(C(F)F)n[nH]1 ZINC000913741890 1128078523 /nfs/dbraw/zinc/07/85/23/1128078523.db2.gz UULLOYFQDHPCLX-UHFFFAOYSA-N 0 1 293.317 3.897 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000470910061 1128080770 /nfs/dbraw/zinc/08/07/70/1128080770.db2.gz WPVQVNAREWSBTK-JLZZUVOBSA-N 0 1 277.383 3.776 20 0 CHADMN CC(C)(C)OCCCN1CC[C@@](F)(c2ccccc2)C1 ZINC000669942685 1128081441 /nfs/dbraw/zinc/08/14/41/1128081441.db2.gz ATSMJMPIAVRDHH-KRWDZBQOSA-N 0 1 279.399 3.762 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccc(N)nc2)o1 ZINC000929760677 1128082671 /nfs/dbraw/zinc/08/26/71/1128082671.db2.gz VXXIGKDVQKAVQN-DOMZBBRYSA-N 0 1 285.391 3.538 20 0 CHADMN Cc1cscc1-c1noc([C@@H]2CCCN2C(C)C)n1 ZINC000924024416 1128089311 /nfs/dbraw/zinc/08/93/11/1128089311.db2.gz ZNERJSIDOALQTM-LBPRGKRZSA-N 0 1 277.393 3.652 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CC(C)(C)c3ccccc32)nn1C ZINC000282099869 1128089015 /nfs/dbraw/zinc/08/90/15/1128089015.db2.gz IOUUFIHCLLGMDH-SUMWQHHRSA-N 0 1 283.419 3.802 20 0 CHADMN CC1CCC([N@@H+](C)Cc2ccncc2Cl)CC1 ZINC000173498935 1128089226 /nfs/dbraw/zinc/08/92/26/1128089226.db2.gz DTAVDHMGJLRJJF-UHFFFAOYSA-N 0 1 252.789 3.746 20 0 CHADMN CC(C)C1CCN(Cc2c(Cl)nccc2N(C)C)CC1 ZINC001234142034 1128098734 /nfs/dbraw/zinc/09/87/34/1128098734.db2.gz GAGIEMYEBKJYHL-UHFFFAOYSA-N 0 1 295.858 3.669 20 0 CHADMN C[C@H](NCc1ccc(F)cc1)c1cnn(C2CCC2)c1 ZINC000924526875 1128101260 /nfs/dbraw/zinc/10/12/60/1128101260.db2.gz ZNQLFAPLPBFMKH-LBPRGKRZSA-N 0 1 273.355 3.598 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnnc1)c1cccc(Cl)c1 ZINC000924542911 1128103070 /nfs/dbraw/zinc/10/30/70/1128103070.db2.gz OWZXUOZDRBMNTI-MNOVXSKESA-N 0 1 261.756 3.542 20 0 CHADMN CC[C@H](N[C@H](C)c1ccccc1)c1cccc(OC)n1 ZINC000924543176 1128103685 /nfs/dbraw/zinc/10/36/85/1128103685.db2.gz QEXYYYHPZAEHRW-HIFRSBDPSA-N 0 1 270.376 3.892 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc2c1OCO2)c1cccs1 ZINC000924548193 1128103860 /nfs/dbraw/zinc/10/38/60/1128103860.db2.gz FAVPTFNUAGFYDY-WDEREUQCSA-N 0 1 275.373 3.889 20 0 CHADMN COc1ccnc([C@@H](C)N[C@H](C)c2ccccc2)c1 ZINC000924543579 1128103912 /nfs/dbraw/zinc/10/39/12/1128103912.db2.gz TXZRZBYXSCCKHD-CHWSQXEVSA-N 0 1 256.349 3.502 20 0 CHADMN C[C@@H](N[C@H](C)c1cnnn1-c1ccccc1)c1cccs1 ZINC000924549214 1128104329 /nfs/dbraw/zinc/10/43/29/1128104329.db2.gz SKIKVNHUROFGOV-CHWSQXEVSA-N 0 1 298.415 3.741 20 0 CHADMN C[C@H](N[C@@H](C)c1cccs1)c1cn2c(n1)CCCC2 ZINC000924549279 1128104811 /nfs/dbraw/zinc/10/48/11/1128104811.db2.gz SNUUNZQVRFIXOO-RYUDHWBXSA-N 0 1 275.421 3.693 20 0 CHADMN CC[C@@H](N[C@H]1CCOc2ccccc21)c1cccc(OC)n1 ZINC000924562376 1128105548 /nfs/dbraw/zinc/10/55/48/1128105548.db2.gz CRBZFAQYTCRCRG-CABCVRRESA-N 0 1 298.386 3.655 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccnn2C2CCC2)ccc1F ZINC000924594833 1128106330 /nfs/dbraw/zinc/10/63/30/1128106330.db2.gz QXWZCFNGUHVARV-CYBMUJFWSA-N 0 1 287.382 3.906 20 0 CHADMN CC[C@H](NCc1ccc(C)c(F)c1)c1cccc(OC)n1 ZINC000924589933 1128106770 /nfs/dbraw/zinc/10/67/70/1128106770.db2.gz NIMATMXWTZIDMF-HNNXBMFYSA-N 0 1 288.366 3.779 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(Cl)s1)c1ccnnc1 ZINC000924610029 1128107502 /nfs/dbraw/zinc/10/75/02/1128107502.db2.gz OTCMGYLHTXLSCE-BDAKNGLRSA-N 0 1 267.785 3.603 20 0 CHADMN C[C@@H](N[C@H]1CCCc2occc21)c1ccnn1C1CCC1 ZINC000924644940 1128108939 /nfs/dbraw/zinc/10/89/39/1128108939.db2.gz RYXXSCWZQCIBJF-DOMZBBRYSA-N 0 1 285.391 3.929 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3c2nccc3Cl)s1 ZINC000924700658 1128109562 /nfs/dbraw/zinc/10/95/62/1128109562.db2.gz MHMLLMGHULFXOK-ZDUSSCGKSA-N 0 1 278.808 3.882 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1ccnnc1 ZINC000924771184 1128112067 /nfs/dbraw/zinc/11/20/67/1128112067.db2.gz UTIOVSBOOIGFLF-UWVGGRQHSA-N 0 1 279.746 3.681 20 0 CHADMN C[C@H](O)c1ccc(CN[C@@H](C)c2cnn(C3CCC3)c2)cc1 ZINC000924763178 1128112294 /nfs/dbraw/zinc/11/22/94/1128112294.db2.gz QAAJKRJLSYWGKD-KBPBESRZSA-N 0 1 299.418 3.512 20 0 CHADMN COc1ccnc([C@H](C)NCc2ccc(SC)cc2)c1 ZINC000924771380 1128112494 /nfs/dbraw/zinc/11/24/94/1128112494.db2.gz XMSYRZJXKYXLHC-LBPRGKRZSA-N 0 1 288.416 3.663 20 0 CHADMN CCCCN1C(=O)N=NC1SCc1ccc(CF)cc1 ZINC000777535641 1128112777 /nfs/dbraw/zinc/11/27/77/1128112777.db2.gz SXVADAGUGBGTGE-UHFFFAOYSA-N 0 1 295.383 3.546 20 0 CHADMN C[C@H](NCc1ccc(F)c(F)c1)c1cnn(C2CCC2)c1 ZINC000924784286 1128112925 /nfs/dbraw/zinc/11/29/25/1128112925.db2.gz SUMYHRPAFJWMNN-NSHDSACASA-N 0 1 291.345 3.737 20 0 CHADMN C[C@@H](NCC(C)(C)c1cccc(Cl)c1)c1ncco1 ZINC000924859164 1128115522 /nfs/dbraw/zinc/11/55/22/1128115522.db2.gz ARNSEUMECRYPOP-LLVKDONJSA-N 0 1 278.783 3.956 20 0 CHADMN C[C@@H](N[C@H](C)C(C)(C)c1ccccc1)c1ncco1 ZINC000924929951 1128116842 /nfs/dbraw/zinc/11/68/42/1128116842.db2.gz ODJCGDUSVVIMHL-CHWSQXEVSA-N 0 1 258.365 3.692 20 0 CHADMN C[C@@H]1C[C@@H]1N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000924952313 1128117260 /nfs/dbraw/zinc/11/72/60/1128117260.db2.gz WYDPKYOKFZLOLR-XFBWCDHKSA-N 0 1 272.779 3.822 20 0 CHADMN CC[C@H](N[C@@H](C)c1cccc2c1OCO2)c1ccncc1 ZINC000925129488 1128123077 /nfs/dbraw/zinc/12/30/77/1128123077.db2.gz IXOYKCZKXCAILE-WFASDCNBSA-N 0 1 284.359 3.612 20 0 CHADMN COc1ccccc1C[C@H](N[C@@H](C)c1ncco1)C(C)C ZINC000925214159 1128125858 /nfs/dbraw/zinc/12/58/58/1128125858.db2.gz HNQZWPMXTMETGU-ZFWWWQNUSA-N 0 1 288.391 3.601 20 0 CHADMN CCC[C@@H](N[C@H]1CCC1(OC)OC)c1ccc(F)cc1F ZINC000925265090 1128127099 /nfs/dbraw/zinc/12/70/99/1128127099.db2.gz QMFBSUUYLGLALU-CABCVRRESA-N 0 1 299.361 3.547 20 0 CHADMN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc2n[nH]cc21 ZINC000493185270 1128127351 /nfs/dbraw/zinc/12/73/51/1128127351.db2.gz XUXUJGJHGCMMMK-OLZOCXBDSA-N 0 1 299.418 3.850 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000925463897 1128130184 /nfs/dbraw/zinc/13/01/84/1128130184.db2.gz BDUSNIWEPOPGBY-QLFBSQMISA-N 0 1 274.408 3.919 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)NCc1c(F)ccc(F)c1F ZINC001168453221 1128130958 /nfs/dbraw/zinc/13/09/58/1128130958.db2.gz AZDZURNYEJZBMW-JTQLQIEISA-N 0 1 297.295 3.964 20 0 CHADMN CC(C)c1ccc([C@@H](N[C@H]2CCOC2)c2cccnc2)cc1 ZINC000925617024 1128134150 /nfs/dbraw/zinc/13/41/50/1128134150.db2.gz PFDZYAHIBOUPDX-RBUKOAKNSA-N 0 1 296.414 3.673 20 0 CHADMN C[C@H](N[C@@H](C)c1csc(C(F)(F)F)c1)c1cn[nH]c1 ZINC000925635291 1128134984 /nfs/dbraw/zinc/13/49/84/1128134984.db2.gz PRBMHJRXACAZGV-YUMQZZPRSA-N 0 1 289.326 3.902 20 0 CHADMN Cc1cncc(CN[C@@H]2CCCc3c(Cl)ccnc32)c1 ZINC000925644992 1128135560 /nfs/dbraw/zinc/13/55/60/1128135560.db2.gz NGPMYQJNYPYELN-OAHLLOKOSA-N 0 1 287.794 3.606 20 0 CHADMN CC[C@@H](N[C@H](c1cccnc1)C1CC1)c1cccc(OC)n1 ZINC000925644779 1128135611 /nfs/dbraw/zinc/13/56/11/1128135611.db2.gz NWZZHMOKSOHLSC-QAPCUYQASA-N 0 1 297.402 3.677 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@@H](C)c1cccc2c1OCO2 ZINC000925684598 1128136904 /nfs/dbraw/zinc/13/69/04/1128136904.db2.gz IJUDRZUEENRDKC-OLZOCXBDSA-N 0 1 298.386 3.785 20 0 CHADMN C[C@H](NCCOC1CCC1)c1cc(-c2ccccc2)no1 ZINC000925895189 1128145397 /nfs/dbraw/zinc/14/53/97/1128145397.db2.gz UXFVLIQFSNMFSS-ZDUSSCGKSA-N 0 1 286.375 3.561 20 0 CHADMN COc1cc([C@H](C)N[C@H]2c3cc(C)ccc3C[C@H]2C)on1 ZINC000926115915 1128155826 /nfs/dbraw/zinc/15/58/26/1128155826.db2.gz JSLFXZYUFLCGHV-BWACUDIHSA-N 0 1 286.375 3.576 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)CCS1 ZINC000494078760 1128156320 /nfs/dbraw/zinc/15/63/20/1128156320.db2.gz LUISVTIUNLNXLY-SNVBAGLBSA-N 0 1 273.804 3.807 20 0 CHADMN C[C@H]1CCN(Cc2ccc(F)c(Cl)c2)CCS1 ZINC000494078759 1128156414 /nfs/dbraw/zinc/15/64/14/1128156414.db2.gz LUISVTIUNLNXLY-JTQLQIEISA-N 0 1 273.804 3.807 20 0 CHADMN Cc1cc(C)c(C[N@@H+]2CC[C@](C(=O)[O-])(C(C)C)C2)cc1C ZINC000232780202 1128157850 /nfs/dbraw/zinc/15/78/50/1128157850.db2.gz AEQCBVAMNRNHQQ-GOSISDBHSA-N 0 1 289.419 3.545 20 0 CHADMN C[C@@H]1OCC[C@@]1(C)NCc1csc(C2CCCCC2)n1 ZINC000494206984 1128159655 /nfs/dbraw/zinc/15/96/55/1128159655.db2.gz AKCOGOCXKZOGLZ-BLLLJJGKSA-N 0 1 294.464 3.848 20 0 CHADMN CCC[C@@H](NCC(C)(C)OCC)c1ncccc1Cl ZINC000926233530 1128162463 /nfs/dbraw/zinc/16/24/63/1128162463.db2.gz XQTIXSOCTWGSRJ-CYBMUJFWSA-N 0 1 284.831 3.981 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2C)C2CC2)nc(C)n1 ZINC000671302843 1128162557 /nfs/dbraw/zinc/16/25/57/1128162557.db2.gz CTTPSXUPBOFBJW-SFHVURJKSA-N 0 1 281.403 3.643 20 0 CHADMN Oc1cc(F)cc(CNCc2ccc(C(F)F)cc2)c1 ZINC000185629709 1128163687 /nfs/dbraw/zinc/16/36/87/1128163687.db2.gz TYSHDWHTLHQABW-UHFFFAOYSA-N 0 1 281.277 3.759 20 0 CHADMN C[C@@H](NC1CC(F)(F)C1)c1cc(-c2ccccc2)no1 ZINC000926284380 1128164972 /nfs/dbraw/zinc/16/49/72/1128164972.db2.gz HPBHRSPNJBGCEK-SNVBAGLBSA-N 0 1 278.302 3.790 20 0 CHADMN C[C@H](NC1CC(F)(F)C1)c1cc(-c2ccccc2)no1 ZINC000926284379 1128165023 /nfs/dbraw/zinc/16/50/23/1128165023.db2.gz HPBHRSPNJBGCEK-JTQLQIEISA-N 0 1 278.302 3.790 20 0 CHADMN COc1ccnc(CN(C)C/C(C)=C/c2ccccc2)c1 ZINC000494273182 1128168356 /nfs/dbraw/zinc/16/83/56/1128168356.db2.gz GDJBRNIFNVDIHK-RVDMUPIBSA-N 0 1 282.387 3.626 20 0 CHADMN COc1cccc(C[N@@H+](C)C/C(C)=C/c2ccccc2)n1 ZINC000494292565 1128168629 /nfs/dbraw/zinc/16/86/29/1128168629.db2.gz HDIMNYONPCOLKZ-NTCAYCPXSA-N 0 1 282.387 3.626 20 0 CHADMN COc1cccc(CN(C)C/C(C)=C/c2ccccc2)n1 ZINC000494292565 1128168632 /nfs/dbraw/zinc/16/86/32/1128168632.db2.gz HDIMNYONPCOLKZ-NTCAYCPXSA-N 0 1 282.387 3.626 20 0 CHADMN C[C@@H](N[C@@H](C)c1nccn1-c1ccccc1)C1(Cl)CC1 ZINC000926427828 1128171895 /nfs/dbraw/zinc/17/18/95/1128171895.db2.gz LOTOGAWCTMGFSZ-QWHCGFSZSA-N 0 1 289.810 3.683 20 0 CHADMN Cc1ccoc1CN[C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000926472276 1128173832 /nfs/dbraw/zinc/17/38/32/1128173832.db2.gz WXRQYMBVBIVRQR-CYBMUJFWSA-N 0 1 273.376 3.666 20 0 CHADMN COc1ccc(F)cc1CNC/C=C\c1ccc(F)cc1 ZINC000494470758 1128174783 /nfs/dbraw/zinc/17/47/83/1128174783.db2.gz FAJXGMGSHZGFJU-IHWYPQMZSA-N 0 1 289.325 3.776 20 0 CHADMN COc1ccccc1[C@H](NCC[C@@H](C)F)c1ccccn1 ZINC000926485394 1128174895 /nfs/dbraw/zinc/17/48/95/1128174895.db2.gz JTESHVZNTCFMEB-DYVFJYSZSA-N 0 1 288.366 3.517 20 0 CHADMN Clc1ccc([C@H](N[C@@H]2CC23CC3)c2ccccn2)cc1 ZINC000926616049 1128183954 /nfs/dbraw/zinc/18/39/54/1128183954.db2.gz RBPPHLBQASHIEC-CVEARBPZSA-N 0 1 284.790 3.967 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2N[C@@H]1C[C@H]1CC(C)(C)C ZINC000926652434 1128185788 /nfs/dbraw/zinc/18/57/88/1128185788.db2.gz SRZGMGAULFZDFG-YNEHKIRRSA-N 0 1 262.397 3.775 20 0 CHADMN COc1c(C)cccc1CN[C@H](C)c1ccnn1C1CCC1 ZINC000926661193 1128186607 /nfs/dbraw/zinc/18/66/07/1128186607.db2.gz ASXJBDXQWOSOPS-CQSZACIVSA-N 0 1 299.418 3.776 20 0 CHADMN Cc1ncc(C(=O)N2CC3(CCCCCC3)[C@@H]2C(C)C)[nH]1 ZINC000827992910 1128187587 /nfs/dbraw/zinc/18/75/87/1128187587.db2.gz DEUCYHOWAYKOCJ-HNNXBMFYSA-N 0 1 289.423 3.539 20 0 CHADMN Cc1ccc([C@@H](N[C@H]2C=CCC2)c2ccccn2)cc1 ZINC000926691053 1128187939 /nfs/dbraw/zinc/18/79/39/1128187939.db2.gz QXTKVULXFGUORD-FUHWJXTLSA-N 0 1 264.372 3.788 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccc(O)cc21)c1ccnn1C1CCC1 ZINC000926708228 1128189298 /nfs/dbraw/zinc/18/92/98/1128189298.db2.gz ARRQJXJQJIDMDR-YVEFUNNKSA-N 0 1 297.402 3.652 20 0 CHADMN C[C@H](NCC1=CCCC1)c1nc(Br)ccc1F ZINC000926718029 1128189620 /nfs/dbraw/zinc/18/96/20/1128189620.db2.gz YZBPMBPVOJOYJO-VIFPVBQESA-N 0 1 299.187 3.744 20 0 CHADMN CC(C)(C)C(F)(F)CNC1C[C@H]2CC[C@@H](C1)S2 ZINC000926728643 1128190805 /nfs/dbraw/zinc/19/08/05/1128190805.db2.gz HBNPLGHVDJYLPX-FGWVZKOKSA-N 0 1 263.397 3.684 20 0 CHADMN CCn1nccc1CN[C@H](C)c1coc2ccccc12 ZINC000926737260 1128191320 /nfs/dbraw/zinc/19/13/20/1128191320.db2.gz DTWUXSAJVWEUCD-GFCCVEGCSA-N 0 1 269.348 3.500 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H]1c1ccccc1)c1ncco1 ZINC000926777580 1128193546 /nfs/dbraw/zinc/19/35/46/1128193546.db2.gz GESUFJLHKUAFJL-NWANDNLSSA-N 0 1 256.349 3.662 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2ccnn2C2CCC2)s1 ZINC000926788051 1128194905 /nfs/dbraw/zinc/19/49/05/1128194905.db2.gz YWQKMMRBZZTDSD-MNOVXSKESA-N 0 1 290.436 3.785 20 0 CHADMN COc1ccc2c(c1)OCC[N@@H+]([C@@H](C)c1ccccc1)C2 ZINC000670097225 1128195373 /nfs/dbraw/zinc/19/53/73/1128195373.db2.gz DUHQSLGZNUQAAL-AWEZNQCLSA-N 0 1 283.371 3.651 20 0 CHADMN COc1ccc2c(c1)OCCN([C@@H](C)c1ccccc1)C2 ZINC000670097225 1128195376 /nfs/dbraw/zinc/19/53/76/1128195376.db2.gz DUHQSLGZNUQAAL-AWEZNQCLSA-N 0 1 283.371 3.651 20 0 CHADMN COC(=O)c1ccc([C@@H](C)N2Cc3ccccc3[C@@H](C)C2)o1 ZINC000914787654 1128245107 /nfs/dbraw/zinc/24/51/07/1128245107.db2.gz AWMKQPAOVCNWKA-QWHCGFSZSA-N 0 1 299.370 3.747 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1cc2c(cc1Cl)OCO2 ZINC001138238575 1128246646 /nfs/dbraw/zinc/24/66/46/1128246646.db2.gz ZYKHJOADQOVLIT-QWRGUYRKSA-N 0 1 281.783 3.832 20 0 CHADMN CC[C@H](C)[C@@H](C)Nc1ccc(CN(C)C)c(F)c1 ZINC000777700275 1128247491 /nfs/dbraw/zinc/24/74/91/1128247491.db2.gz GRRCBYFAGSBIQJ-NWDGAFQWSA-N 0 1 252.377 3.734 20 0 CHADMN CC[C@@]1(O)CCN([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000495227542 1128247514 /nfs/dbraw/zinc/24/75/14/1128247514.db2.gz YAUSERGVTSARKQ-IINYFYTJSA-N 0 1 288.218 3.901 20 0 CHADMN CCC[C@H](C(=O)NNc1ccnc2ccccc21)C(C)C ZINC000153381094 1128253174 /nfs/dbraw/zinc/25/31/74/1128253174.db2.gz BJPQRABDOKRQNK-ZDUSSCGKSA-N 0 1 285.391 3.750 20 0 CHADMN C[C@H](CN1CCc2c(ncn2-c2ccccc2)C1)C(C)(C)C ZINC000929063959 1128256113 /nfs/dbraw/zinc/25/61/13/1128256113.db2.gz HTFRYWFRSBNGIJ-OAHLLOKOSA-N 0 1 297.446 3.913 20 0 CHADMN CC1(C)C[C@@H](N(CCF)Cc2ccccc2)C(C)(C)O1 ZINC000777745762 1128256396 /nfs/dbraw/zinc/25/63/96/1128256396.db2.gz AMDRDCMGHMBYKF-OAHLLOKOSA-N 0 1 279.399 3.804 20 0 CHADMN CCc1ncc(CN2CCC[C@H]2c2cccs2)o1 ZINC000929131092 1128259491 /nfs/dbraw/zinc/25/94/91/1128259491.db2.gz JXPWNMPRXCEWFU-LBPRGKRZSA-N 0 1 262.378 3.636 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cnn(CCF)c1 ZINC000929170814 1128262045 /nfs/dbraw/zinc/26/20/45/1128262045.db2.gz CSPQSONHDDIIKR-GFCCVEGCSA-N 0 1 295.789 3.699 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N(C)Cc1cnn(CCF)c1 ZINC000929170814 1128262048 /nfs/dbraw/zinc/26/20/48/1128262048.db2.gz CSPQSONHDDIIKR-GFCCVEGCSA-N 0 1 295.789 3.699 20 0 CHADMN Cc1cc([C@@H](C)NCC2(c3cccc(F)c3)CCC2)no1 ZINC000926922559 1128203383 /nfs/dbraw/zinc/20/33/83/1128203383.db2.gz ISRQKTONYPEGJZ-CYBMUJFWSA-N 0 1 288.366 3.895 20 0 CHADMN CCC(CC)N(CC)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000494838548 1128204600 /nfs/dbraw/zinc/20/46/00/1128204600.db2.gz RHDJTMGNEOLSSU-UHFFFAOYSA-N 0 1 291.420 3.789 20 0 CHADMN COc1cc(C)nc(CNCc2ccc(C3CCC3)cc2)c1 ZINC000494842910 1128205445 /nfs/dbraw/zinc/20/54/45/1128205445.db2.gz VEQJBLBQBNLUAT-UHFFFAOYSA-N 0 1 296.414 3.956 20 0 CHADMN Cc1cnc(CN[C@@H](C)c2ccc3c(c2)CCCO3)c(C)c1 ZINC000926959167 1128205860 /nfs/dbraw/zinc/20/58/60/1128205860.db2.gz KNFBOWTZYWULQU-HNNXBMFYSA-N 0 1 296.414 3.874 20 0 CHADMN OC[C@@]1(F)CCN(Cc2ccc(C3CCCCC3)cc2)C1 ZINC000670113435 1128206388 /nfs/dbraw/zinc/20/63/88/1128206388.db2.gz IJNURWTVQHUREA-GOSISDBHSA-N 0 1 291.410 3.641 20 0 CHADMN CCC[C@@H](O)CCN[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000927025284 1128208746 /nfs/dbraw/zinc/20/87/46/1128208746.db2.gz XZUQGIPCJQZTOX-MJGOQNOKSA-N 0 1 298.430 3.620 20 0 CHADMN Fc1cccc(-c2nc(CNC3(C4CC4)CC3)co2)c1 ZINC000542521471 1128208862 /nfs/dbraw/zinc/20/88/62/1128208862.db2.gz MRVGUZDVBOJTRN-UHFFFAOYSA-N 0 1 272.323 3.513 20 0 CHADMN C[C@H](NC[C@H]1CCCC2(CCC2)O1)c1cccnc1Cl ZINC000927020416 1128209153 /nfs/dbraw/zinc/20/91/53/1128209153.db2.gz VJHJSTZPDSXUDE-QWHCGFSZSA-N 0 1 294.826 3.877 20 0 CHADMN CCc1cc(CN2CC[C@H](c3ccccc3Cl)C2)on1 ZINC001203224824 1128210864 /nfs/dbraw/zinc/21/08/64/1128210864.db2.gz DRGDFMWXHLIFJM-LBPRGKRZSA-N 0 1 290.794 3.880 20 0 CHADMN Cc1cccc([C@H]2CCN(Cc3nnc(C(C)(C)C)o3)C2)c1 ZINC000784480585 1128211947 /nfs/dbraw/zinc/21/19/47/1128211947.db2.gz RBPNJUASMDSIPQ-HNNXBMFYSA-N 0 1 299.418 3.665 20 0 CHADMN C[C@@H](N[C@H]1CCCc2cccnc21)c1ccnn1C1CCC1 ZINC000927061195 1128212040 /nfs/dbraw/zinc/21/20/40/1128212040.db2.gz CKAHQFXCGXKXGZ-CJNGLKHVSA-N 0 1 296.418 3.731 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@@H]1CCCc3cccnc31)CC2 ZINC000927056335 1128212411 /nfs/dbraw/zinc/21/24/11/1128212411.db2.gz RLTMDGNVMYPUKI-QZTJIDSGSA-N 0 1 294.398 3.745 20 0 CHADMN Fc1cncc([C@H](N[C@H]2CCCc3cccnc32)C2CC2)c1 ZINC000927063914 1128212946 /nfs/dbraw/zinc/21/29/46/1128212946.db2.gz LPYMBRJGPDJUJU-DLBZAZTESA-N 0 1 297.377 3.734 20 0 CHADMN C[C@H](N[C@@H]1CCCc2cccnc21)c1cnn(C2CCC2)c1 ZINC000927062667 1128213592 /nfs/dbraw/zinc/21/35/92/1128213592.db2.gz NTVDGLIYUVGKAN-SUMWQHHRSA-N 0 1 296.418 3.731 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1ccc(C)cc1C ZINC000073007084 1128214021 /nfs/dbraw/zinc/21/40/21/1128214021.db2.gz MCDRBCDCAPIROJ-GFCCVEGCSA-N 0 1 258.365 3.759 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1cc(F)cc(F)c1)c1cnn(C)c1 ZINC000927064964 1128214173 /nfs/dbraw/zinc/21/41/73/1128214173.db2.gz BUAVWQPIIJRLTL-BZNIZROVSA-N 0 1 293.361 3.746 20 0 CHADMN Cc1ccc2nc(SCCCCCCO)[nH]c2c1 ZINC000176564892 1128214196 /nfs/dbraw/zinc/21/41/96/1128214196.db2.gz QFAJMMMVOJLVSC-UHFFFAOYSA-N 0 1 264.394 3.516 20 0 CHADMN COc1ccsc1[C@H](C)N[C@H]1CCCc2cccnc21 ZINC000927064195 1128214292 /nfs/dbraw/zinc/21/42/92/1128214292.db2.gz QIHDXYYSDDLVRW-AAEUAGOBSA-N 0 1 288.416 3.880 20 0 CHADMN COc1ccc([C@@H](N[C@H](C)c2ncc[nH]2)C2CCC2)cc1 ZINC000927064604 1128214325 /nfs/dbraw/zinc/21/43/25/1128214325.db2.gz RLDAWYVZUJFXOQ-WBMJQRKESA-N 0 1 285.391 3.610 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](c2cnn(C)c2)C(C)C)o1 ZINC000927067272 1128214691 /nfs/dbraw/zinc/21/46/91/1128214691.db2.gz FHODMVFVCFECKC-BLLLJJGKSA-N 0 1 275.396 3.623 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1cc2cnccc2o1)c1cnn(C)c1 ZINC000927066911 1128214712 /nfs/dbraw/zinc/21/47/12/1128214712.db2.gz PDFBEJVEPMMHFN-PXAZEXFGSA-N 0 1 298.390 3.609 20 0 CHADMN Clc1csc(CN2CCC(OCC3CC3)CC2)c1 ZINC000494941009 1128215162 /nfs/dbraw/zinc/21/51/62/1128215162.db2.gz UPRVVSNUPPFSRS-UHFFFAOYSA-N 0 1 285.840 3.793 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1ccc(Cl)nc1)c1cnn(C)c1 ZINC000927070561 1128215581 /nfs/dbraw/zinc/21/55/81/1128215581.db2.gz PDTIYOWVBOQYNR-ABAIWWIYSA-N 0 1 292.814 3.516 20 0 CHADMN CCN(Cc1c(F)cccc1F)C[C@H]1CCSC1 ZINC000494950474 1128217428 /nfs/dbraw/zinc/21/74/28/1128217428.db2.gz MYNBWVFECCBMAQ-LLVKDONJSA-N 0 1 271.376 3.540 20 0 CHADMN Cc1ccc([C@@H](NCc2cc(C3CC3)n(C)n2)C2CC2)cc1 ZINC000927113121 1128217913 /nfs/dbraw/zinc/21/79/13/1128217913.db2.gz WPUGRHREPYSWKD-LJQANCHMSA-N 0 1 295.430 3.847 20 0 CHADMN CCOc1ccc(CN2CCS[C@H](C)[C@@H]2C)cc1F ZINC000494986551 1128220077 /nfs/dbraw/zinc/22/00/77/1128220077.db2.gz QKEITYRQLVQCGO-NWDGAFQWSA-N 0 1 283.412 3.550 20 0 CHADMN CCc1onc(C)c1CN[C@H](CC)c1ccc(F)cc1 ZINC000927136580 1128221440 /nfs/dbraw/zinc/22/14/40/1128221440.db2.gz CQPHWIITHLMURZ-OAHLLOKOSA-N 0 1 276.355 3.925 20 0 CHADMN Cc1ccnc(N[C@H](c2ccccn2)C(F)(F)F)c1C ZINC001168476246 1128226601 /nfs/dbraw/zinc/22/66/01/1128226601.db2.gz CSJARGMOZBCTLY-GFCCVEGCSA-N 0 1 281.281 3.809 20 0 CHADMN C[C@H](CNCc1nc(-c2ccccc2)no1)c1ccccc1 ZINC000559240471 1128228600 /nfs/dbraw/zinc/22/86/00/1128228600.db2.gz XYKNHSKGBPGAPH-CQSZACIVSA-N 0 1 293.370 3.630 20 0 CHADMN C[C@H](c1ccccc1F)N(C)C/C=C\c1ccncc1 ZINC000495078974 1128228731 /nfs/dbraw/zinc/22/87/31/1128228731.db2.gz LUMSFUGZBGNZLR-GEXIGZQTSA-N 0 1 270.351 3.927 20 0 CHADMN Fc1ccccc1CN(C/C=C/c1ccncc1)C1CC1 ZINC000495077708 1128229251 /nfs/dbraw/zinc/22/92/51/1128229251.db2.gz GLEDQYWTCPNUPZ-ONEGZZNKSA-N 0 1 282.362 3.899 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N(C)C[C@@H]1CCSC1 ZINC000495090466 1128230601 /nfs/dbraw/zinc/23/06/01/1128230601.db2.gz IDJAFBXGFJDZCJ-QWRGUYRKSA-N 0 1 271.376 3.711 20 0 CHADMN Cc1ncc(CN[C@@H]2CCc3ccc(C(C)C)cc32)cn1 ZINC000495161167 1128239117 /nfs/dbraw/zinc/23/91/17/1128239117.db2.gz VSLRYJDCHNCEGT-GOSISDBHSA-N 0 1 281.403 3.686 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@H](C)c1ccc(C)c(F)c1 ZINC000180752406 1128240897 /nfs/dbraw/zinc/24/08/97/1128240897.db2.gz AUYGHTBQBGKYCN-MNOVXSKESA-N 0 1 261.344 3.577 20 0 CHADMN CC1(C)CC[C@@H](CNCc2c(F)cccc2Cl)O1 ZINC000495187078 1128242730 /nfs/dbraw/zinc/24/27/30/1128242730.db2.gz DAVKAHCLAFDKHF-JTQLQIEISA-N 0 1 271.763 3.526 20 0 CHADMN CCCCCCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000762117831 1128269966 /nfs/dbraw/zinc/26/99/66/1128269966.db2.gz UDAZVFKVPZORNY-UHFFFAOYSA-N 0 1 270.336 3.736 20 0 CHADMN CC[C@@H](c1ccccc1)N(CC)Cc1nn(C)cc1C ZINC000929384882 1128271660 /nfs/dbraw/zinc/27/16/60/1128271660.db2.gz KKMYVAQNUARDNW-KRWDZBQOSA-N 0 1 271.408 3.702 20 0 CHADMN CC(C)c1cn(CN2CC3(CCC3)C[C@@H]2C)c(=S)n1C ZINC000762136084 1128273286 /nfs/dbraw/zinc/27/32/86/1128273286.db2.gz BUUOSKZUIIAFLS-ZDUSSCGKSA-N 0 1 293.480 3.901 20 0 CHADMN C[C@H](c1ncccn1)N(C)CCc1cccc2ccccc21 ZINC000929460071 1128274576 /nfs/dbraw/zinc/27/45/76/1128274576.db2.gz SGGDTEDWIVMYEI-OAHLLOKOSA-N 0 1 291.398 3.865 20 0 CHADMN CCN(CCC(F)(F)F)Cc1ccccc1CF ZINC000929467777 1128274296 /nfs/dbraw/zinc/27/42/96/1128274296.db2.gz FAHSFFXRZMEPQA-UHFFFAOYSA-N 0 1 263.278 3.930 20 0 CHADMN CC(C)(C)c1nc(CN2CCC[C@@H]3CCC[C@H]32)co1 ZINC000929713559 1128283482 /nfs/dbraw/zinc/28/34/82/1128283482.db2.gz UEDPUMRPFNNLDN-GXTWGEPZSA-N 0 1 262.397 3.737 20 0 CHADMN Cc1cc(CN2C[C@@H](C)C[C@H]2c2ccccc2F)c(C)nn1 ZINC000929725314 1128284493 /nfs/dbraw/zinc/28/44/93/1128284493.db2.gz IGRQHBCWGWWWDO-SGTLLEGYSA-N 0 1 299.393 3.816 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000495445219 1128285872 /nfs/dbraw/zinc/28/58/72/1128285872.db2.gz RPZALNOETBVLAP-XUJVJEKNSA-N 0 1 297.389 3.755 20 0 CHADMN C[C@@H]1N(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CCOC1(C)C ZINC000929842976 1128289956 /nfs/dbraw/zinc/28/99/56/1128289956.db2.gz UGKGXAMFMGGFDS-NWANDNLSSA-N 0 1 295.373 3.535 20 0 CHADMN Cc1nnsc1[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000929861977 1128291065 /nfs/dbraw/zinc/29/10/65/1128291065.db2.gz PXJUOVFZMPMQMG-DTWKUNHWSA-N 0 1 281.812 3.912 20 0 CHADMN CC[C@](C)(NCCSc1ccncc1)c1nccs1 ZINC000929991178 1128296588 /nfs/dbraw/zinc/29/65/88/1128296588.db2.gz IVBHUEKIJHQQDF-AWEZNQCLSA-N 0 1 293.461 3.545 20 0 CHADMN S=C1SCCN1CN1CCCC[C@H]1c1ccccc1 ZINC000762466774 1128301830 /nfs/dbraw/zinc/30/18/30/1128301830.db2.gz NHYHGUCTKKZRMQ-AWEZNQCLSA-N 0 1 292.473 3.505 20 0 CHADMN C[C@@H](c1ccccn1)N(C)C[C@@H]1CCCC2(CCC2)O1 ZINC000930120232 1128301923 /nfs/dbraw/zinc/30/19/23/1128301923.db2.gz ZTXDSUMDUVZUNY-GJZGRUSLSA-N 0 1 274.408 3.566 20 0 CHADMN C[C@@H]1C[C@H](CN(CC(F)F)CC2CCC2)C[C@H](C)O1 ZINC000930131160 1128302306 /nfs/dbraw/zinc/30/23/06/1128302306.db2.gz GUFPHWYADGWWAN-IMRBUKKESA-N 0 1 275.383 3.557 20 0 CHADMN CC[C@]1(C)COCCN1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000930123629 1128302467 /nfs/dbraw/zinc/30/24/67/1128302467.db2.gz HZYKSCYDSKRTRW-BZUAXINKSA-N 0 1 295.373 3.536 20 0 CHADMN CC[C@@]1(C)COCCN1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000930123631 1128302635 /nfs/dbraw/zinc/30/26/35/1128302635.db2.gz HZYKSCYDSKRTRW-OAGGEKHMSA-N 0 1 295.373 3.536 20 0 CHADMN Fc1ccc([C@@H](CC(F)(F)F)NCCOC2CC2)cc1 ZINC000930207705 1128307383 /nfs/dbraw/zinc/30/73/83/1128307383.db2.gz RESQWCKYXFRGDR-CYBMUJFWSA-N 0 1 291.288 3.588 20 0 CHADMN Cc1nnsc1[C@@H](C)N[C@H](C)c1cccc(C)c1C ZINC000930224374 1128309426 /nfs/dbraw/zinc/30/94/26/1128309426.db2.gz HFDNWHGQGRATAN-VXGBXAGGSA-N 0 1 275.421 3.875 20 0 CHADMN CC(C)[C@@H](NCCCC(C)(F)F)c1nc(C2CC2)no1 ZINC000930236333 1128309915 /nfs/dbraw/zinc/30/99/15/1128309915.db2.gz LOZURIJBKQZRAP-LLVKDONJSA-N 0 1 287.354 3.669 20 0 CHADMN CCc1ncc(CN(C)C(C)(C)c2ccccc2)o1 ZINC000930370803 1128316264 /nfs/dbraw/zinc/31/62/64/1128316264.db2.gz LGXQZPMGECWFCA-UHFFFAOYSA-N 0 1 258.365 3.604 20 0 CHADMN CCc1ncc(C[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2)o1 ZINC000930473759 1128320117 /nfs/dbraw/zinc/32/01/17/1128320117.db2.gz BYJUIRFQEIOHAZ-BBRMVZONSA-N 0 1 270.376 3.820 20 0 CHADMN Cc1ccoc1CN(C)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000930555645 1128325243 /nfs/dbraw/zinc/32/52/43/1128325243.db2.gz WFZRIWRJUOCFNP-WCQYABFASA-N 0 1 291.313 3.520 20 0 CHADMN CCCC[C@@H](C)N(CCCC)Cc1nncs1 ZINC000930583820 1128326084 /nfs/dbraw/zinc/32/60/84/1128326084.db2.gz YVXAXCKCQMFECZ-GFCCVEGCSA-N 0 1 255.431 3.719 20 0 CHADMN CC1(C)Cc2cccc(CNc3ccc4c[nH]nc4c3)c2O1 ZINC000316050644 1128327239 /nfs/dbraw/zinc/32/72/39/1128327239.db2.gz DWSHTOJPJCTGDZ-UHFFFAOYSA-N 0 1 293.370 3.889 20 0 CHADMN CC(=O)C1CCN(Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000930625259 1128327911 /nfs/dbraw/zinc/32/79/11/1128327911.db2.gz GPNIBMCTDYHGPH-UHFFFAOYSA-N 0 1 289.419 3.665 20 0 CHADMN CO[C@@H]1CCN(Cc2nc(C)c(C(C)(C)C)s2)C[C@H]1C ZINC000930641953 1128328115 /nfs/dbraw/zinc/32/81/15/1128328115.db2.gz ZYRFQVLULJJDPL-DGCLKSJQSA-N 0 1 296.480 3.606 20 0 CHADMN CCC(CC)(CC)SCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000762972495 1128339293 /nfs/dbraw/zinc/33/92/93/1128339293.db2.gz JYCQOLJZIUOWCQ-OKILXGFUSA-N 0 1 271.470 3.552 20 0 CHADMN CC(C)Oc1ccc(CN2CC[C@H]3C[C@H]32)cc1Cl ZINC000778096603 1128413447 /nfs/dbraw/zinc/41/34/47/1128413447.db2.gz XEDFYZADLQJFHD-GXTWGEPZSA-N 0 1 265.784 3.721 20 0 CHADMN CC[C@H](C)CN1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931389189 1128360076 /nfs/dbraw/zinc/36/00/76/1128360076.db2.gz HMDMHLYYGVGHCI-YVEFUNNKSA-N 0 1 287.382 3.542 20 0 CHADMN Clc1cccc([C@H](NC2CC2)c2ccccn2)c1 ZINC000763162031 1128362233 /nfs/dbraw/zinc/36/22/33/1128362233.db2.gz HZBYXWVHKKPQCX-HNNXBMFYSA-N 0 1 258.752 3.576 20 0 CHADMN COc1nccc(CN2[C@H](C)CCC[C@H]2C)c1Cl ZINC001235830572 1128363825 /nfs/dbraw/zinc/36/38/25/1128363825.db2.gz PGKHBLODLCGISZ-GHMZBOCLSA-N 0 1 268.788 3.507 20 0 CHADMN CC(=CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C)C1CC1 ZINC000054925330 1128366196 /nfs/dbraw/zinc/36/61/96/1128366196.db2.gz YYOQXXSAPQVVHB-DPCFLFMUSA-N 0 1 297.402 3.733 20 0 CHADMN CC(C)(C)c1cnc(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)s1 ZINC000561975618 1128366552 /nfs/dbraw/zinc/36/65/52/1128366552.db2.gz FLQNNMKSZHAYSL-XOKHGSTOSA-N 0 1 298.455 3.869 20 0 CHADMN O[C@@H](CN(Cc1ccccc1F)C1CC1)c1ccccc1 ZINC000036031487 1128366801 /nfs/dbraw/zinc/36/68/01/1128366801.db2.gz SJZIXAXKIVEFPG-SFHVURJKSA-N 0 1 285.362 3.524 20 0 CHADMN Cc1noc([C@H](C)NC2CCC(C)(c3ccccc3)CC2)n1 ZINC000562318063 1128394056 /nfs/dbraw/zinc/39/40/56/1128394056.db2.gz ONAIKXDNECVOCS-BELGNNRLSA-N 0 1 299.418 3.929 20 0 CHADMN CCc1cnc(CN2CCC[C@H](c3ccccc3)C2)o1 ZINC000562424066 1128401445 /nfs/dbraw/zinc/40/14/45/1128401445.db2.gz RXGVQNSTFCWGEC-HNNXBMFYSA-N 0 1 270.376 3.617 20 0 CHADMN Cn1nccc1[C@@H]1CCCN1Cc1ccc(C(F)F)cc1 ZINC000932263540 1128402307 /nfs/dbraw/zinc/40/23/07/1128402307.db2.gz DZNRXSBEHCATOW-HNNXBMFYSA-N 0 1 291.345 3.695 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1C[C@@H](C)S[C@@H](C)C1 ZINC000562457535 1128403987 /nfs/dbraw/zinc/40/39/87/1128403987.db2.gz DSEJGGHUSPUTSJ-AXFHLTTASA-N 0 1 271.376 3.852 20 0 CHADMN C(=C\c1ccccc1)\CCN[C@@H](c1ncccn1)C1CC1 ZINC000932356951 1128405739 /nfs/dbraw/zinc/40/57/39/1128405739.db2.gz UVHNRPGSMCPRGR-INDRUJQFSA-N 0 1 279.387 3.621 20 0 CHADMN c1ccc([C@H](NCc2ccc3ccccc3n2)C2CC2)nc1 ZINC000932379009 1128406621 /nfs/dbraw/zinc/40/66/21/1128406621.db2.gz OFYVPDMTJQIGKI-LJQANCHMSA-N 0 1 289.382 3.871 20 0 CHADMN CCc1nc(CN(C)C[C@@H]2CCC(F)(F)C2)cs1 ZINC000562529270 1128408535 /nfs/dbraw/zinc/40/85/35/1128408535.db2.gz RTQOXZMNLRALMM-SNVBAGLBSA-N 0 1 274.380 3.573 20 0 CHADMN Cc1ccccc1[C@@H]1CN(C[C@H]2CCCC2(F)F)CCO1 ZINC000562697672 1128418099 /nfs/dbraw/zinc/41/80/99/1128418099.db2.gz LQBTXBWNZUWIFU-ZBFHGGJFSA-N 0 1 295.373 3.804 20 0 CHADMN C[C@H]1CN(Cc2cccc(F)c2)Cc2ccccc21 ZINC000916151292 1128410034 /nfs/dbraw/zinc/41/00/34/1128410034.db2.gz FCLBAMDVUWOUQV-ZDUSSCGKSA-N 0 1 255.336 3.945 20 0 CHADMN CC[C@@H](C)N1Cc2ccc(Br)cc2C[C@@H]1C ZINC001257447441 1128425287 /nfs/dbraw/zinc/42/52/87/1128425287.db2.gz GEARTQYCLDKUKP-MNOVXSKESA-N 0 1 282.225 3.994 20 0 CHADMN CC(C)n1ncnc1CN1C[C@H](c2ccccc2)CC1(C)C ZINC000932906791 1128427184 /nfs/dbraw/zinc/42/71/84/1128427184.db2.gz XODGBLQUHWUMAO-MRXNPFEDSA-N 0 1 298.434 3.627 20 0 CHADMN Cc1cccc(CN2CCCC[C@@H]2c2cc[nH]n2)c1C ZINC000562901944 1128427497 /nfs/dbraw/zinc/42/74/97/1128427497.db2.gz LETRMBYLIAWIDU-QGZVFWFLSA-N 0 1 269.392 3.754 20 0 CHADMN C[C@@H](NCc1ccc(F)nc1)c1ccccc1OC(F)F ZINC000778155880 1128431129 /nfs/dbraw/zinc/43/11/29/1128431129.db2.gz KNGCGGPYUWFWRS-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN CCC[C@H](C)N(C)Cc1cc(C(C)=O)ccc1OCC ZINC000037404895 1128431613 /nfs/dbraw/zinc/43/16/13/1128431613.db2.gz UYXLYAAQXNXSSE-ZDUSSCGKSA-N 0 1 277.408 3.908 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)C[C@@H](O)c2ccco2)c(C)s1 ZINC000763413577 1128434184 /nfs/dbraw/zinc/43/41/84/1128434184.db2.gz SEHJXTRPHGVQEC-GBIKHYSHSA-N 0 1 294.420 3.516 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933395451 1128434605 /nfs/dbraw/zinc/43/46/05/1128434605.db2.gz KVIUMXQMJDZPPK-JTQLQIEISA-N 0 1 294.757 3.773 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)N(C)Cc1cccc(=O)[nH]1 ZINC000933395451 1128434607 /nfs/dbraw/zinc/43/46/07/1128434607.db2.gz KVIUMXQMJDZPPK-JTQLQIEISA-N 0 1 294.757 3.773 20 0 CHADMN Cc1cc(C)c([C@H](C)[N@@H+](C)Cc2cccc(=O)[nH]2)c(C)c1 ZINC000933398915 1128434806 /nfs/dbraw/zinc/43/48/06/1128434806.db2.gz OEDJFIMCYBEXJB-HNNXBMFYSA-N 0 1 284.403 3.905 20 0 CHADMN Fc1ccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)cn1 ZINC000778178044 1128440002 /nfs/dbraw/zinc/44/00/02/1128440002.db2.gz XGVLFOPIJBMFQE-HNNXBMFYSA-N 0 1 298.361 3.757 20 0 CHADMN CCO[C@@H]1C[C@H]1N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000562943946 1128441914 /nfs/dbraw/zinc/44/19/14/1128441914.db2.gz GMZBTLHUGZFIAL-HLLBOEOZSA-N 0 1 287.403 3.590 20 0 CHADMN CCC[C@@](C)(NCc1ocnc1C)c1ccccc1 ZINC000934179314 1128452912 /nfs/dbraw/zinc/45/29/12/1128452912.db2.gz FJQPXUJFUUADCB-MRXNPFEDSA-N 0 1 258.365 3.788 20 0 CHADMN CCC[C@](C)(NCc1cc(C)n(C)n1)c1ccccc1 ZINC000934180282 1128453122 /nfs/dbraw/zinc/45/31/22/1128453122.db2.gz NRJGUZMCAFOQAN-KRWDZBQOSA-N 0 1 271.408 3.534 20 0 CHADMN Cc1ccc([C@H](C)N(C)C(=O)c2c(O)cccc2F)cc1 ZINC000125755815 1128453301 /nfs/dbraw/zinc/45/33/01/1128453301.db2.gz UOTKFJBXFDOLBV-LBPRGKRZSA-N 0 1 287.334 3.673 20 0 CHADMN COc1cc(CN[C@@H](C)c2cncs2)ccc1SC ZINC000934198042 1128454501 /nfs/dbraw/zinc/45/45/01/1128454501.db2.gz IXOYXGKXNOAEPJ-JTQLQIEISA-N 0 1 294.445 3.724 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2ccccc2OC)cc1 ZINC000125829751 1128454700 /nfs/dbraw/zinc/45/47/00/1128454700.db2.gz HWRMWUMANBSONX-CQSZACIVSA-N 0 1 285.387 3.897 20 0 CHADMN Cc1cccc(C)c1CN1CCO[C@@H](c2ccsc2)C1 ZINC000125401562 1128449813 /nfs/dbraw/zinc/44/98/13/1128449813.db2.gz LFQZVDJDTZQSMD-QGZVFWFLSA-N 0 1 287.428 3.938 20 0 CHADMN CCn1cc(CN[C@H](C)c2coc3ccccc23)cn1 ZINC000925430775 1128449888 /nfs/dbraw/zinc/44/98/88/1128449888.db2.gz XPDGJAQDIIKPFF-GFCCVEGCSA-N 0 1 269.348 3.500 20 0 CHADMN CCOCc1ccccc1CNCc1cc(F)cc(F)c1 ZINC000125602503 1128450548 /nfs/dbraw/zinc/45/05/48/1128450548.db2.gz WMNDRMLXHNYFDW-UHFFFAOYSA-N 0 1 291.341 3.791 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc3c(c2)CCCO3)c1F ZINC001235998496 1128450689 /nfs/dbraw/zinc/45/06/89/1128450689.db2.gz NSSVGXSWRPRVSL-UHFFFAOYSA-N 0 1 280.245 3.802 20 0 CHADMN CC[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000125695032 1128451501 /nfs/dbraw/zinc/45/15/01/1128451501.db2.gz DLXQLHBICPHJLC-CQSZACIVSA-N 0 1 270.376 3.882 20 0 CHADMN C[C@@H]1CSCCCN1Cc1coc(-c2ccccc2)n1 ZINC000934304321 1128457354 /nfs/dbraw/zinc/45/73/54/1128457354.db2.gz USOUEUCYSFXTGR-CYBMUJFWSA-N 0 1 288.416 3.669 20 0 CHADMN CSCC[C@H](C)N(C)Cc1cc(-c2cccs2)on1 ZINC000126395484 1128462979 /nfs/dbraw/zinc/46/29/79/1128462979.db2.gz KDOBMLAUJOGGID-NSHDSACASA-N 0 1 296.461 3.977 20 0 CHADMN CCc1ccccc1NC(=O)CN(C)CCC(C)(C)C ZINC000126705803 1128465631 /nfs/dbraw/zinc/46/56/31/1128465631.db2.gz ZRIBTKWSFLXAMO-UHFFFAOYSA-N 0 1 276.424 3.556 20 0 CHADMN CSCC(C)(C)NCc1ncc(-c2ccccc2F)o1 ZINC000934677231 1128465911 /nfs/dbraw/zinc/46/59/11/1128465911.db2.gz ZKNFQLHYIMMZGA-UHFFFAOYSA-N 0 1 294.395 3.712 20 0 CHADMN CSCC(C)(C)NCc1csc(-c2ccc(C)o2)n1 ZINC000934665095 1128465987 /nfs/dbraw/zinc/46/59/87/1128465987.db2.gz WLRSUARGDZMWQG-UHFFFAOYSA-N 0 1 296.461 3.943 20 0 CHADMN Cc1cc(C[N@@H+]2CC=C(c3cccc(C)c3C)CC2)ncn1 ZINC000934840695 1128470652 /nfs/dbraw/zinc/47/06/52/1128470652.db2.gz IOTRQALWRBMACT-UHFFFAOYSA-N 0 1 293.414 3.691 20 0 CHADMN Cc1cc(CN2CC=C(c3cccc(C)c3C)CC2)ncn1 ZINC000934840695 1128470655 /nfs/dbraw/zinc/47/06/55/1128470655.db2.gz IOTRQALWRBMACT-UHFFFAOYSA-N 0 1 293.414 3.691 20 0 CHADMN C[C@@H]1c2ccsc2CCN1C[C@@H](O)c1cccc(F)c1 ZINC000916991708 1128467019 /nfs/dbraw/zinc/46/70/19/1128467019.db2.gz UGOJFUZBIIPGJO-IAQYHMDHSA-N 0 1 291.391 3.540 20 0 CHADMN CCC[C@@H](C)CC[C@H](C)NCc1nccc(Cl)n1 ZINC001257470117 1128467854 /nfs/dbraw/zinc/46/78/54/1128467854.db2.gz FPSDKGHELPQBLA-NEPJUHHUSA-N 0 1 269.820 3.825 20 0 CHADMN Cc1cccc(C2=CC[N@@H+](Cc3ccnc(C)n3)CC2)c1C ZINC000934841484 1128470758 /nfs/dbraw/zinc/47/07/58/1128470758.db2.gz QDDDAFSXKIIVOF-UHFFFAOYSA-N 0 1 293.414 3.691 20 0 CHADMN Cc1cccc(C2=CCN(Cc3ccnc(C)n3)CC2)c1C ZINC000934841484 1128470760 /nfs/dbraw/zinc/47/07/60/1128470760.db2.gz QDDDAFSXKIIVOF-UHFFFAOYSA-N 0 1 293.414 3.691 20 0 CHADMN CCCCc1nc2ccc(NC(=O)C3(C)CC3)cc2[nH]1 ZINC000126928969 1128470833 /nfs/dbraw/zinc/47/08/33/1128470833.db2.gz MGRMVLOMOCPAQX-UHFFFAOYSA-N 0 1 271.364 3.644 20 0 CHADMN O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1n[nH]c2ccccc21 ZINC000497324519 1128471845 /nfs/dbraw/zinc/47/18/45/1128471845.db2.gz LCMXDXAHCGJSTD-HZSPNIEDSA-N 0 1 297.402 3.652 20 0 CHADMN Cc1ccc(CN(CCOc2cccc(F)c2)C2CC2)o1 ZINC000917061923 1128472572 /nfs/dbraw/zinc/47/25/72/1128472572.db2.gz GKGFANJUYUQVBH-UHFFFAOYSA-N 0 1 289.350 3.771 20 0 CHADMN C[C@H]1CO[C@H](c2ccccc2)CN1Cc1ccccc1 ZINC000066853213 1128478766 /nfs/dbraw/zinc/47/87/66/1128478766.db2.gz NOUYNEHSNUSLIO-YJBOKZPZSA-N 0 1 267.372 3.649 20 0 CHADMN CC(C)c1nc([C@@H](C)NC(=O)C(C)(C)CC(C)(C)C)n[nH]1 ZINC000935145347 1128480727 /nfs/dbraw/zinc/48/07/27/1128480727.db2.gz HRAFOVKGWJTFLD-LLVKDONJSA-N 0 1 294.443 3.568 20 0 CHADMN C[C@@H]1CO[C@H](c2ccccc2)CN1Cc1ccccc1 ZINC000066853212 1128478639 /nfs/dbraw/zinc/47/86/39/1128478639.db2.gz NOUYNEHSNUSLIO-QAPCUYQASA-N 0 1 267.372 3.649 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226419901 1128485005 /nfs/dbraw/zinc/48/50/05/1128485005.db2.gz YLJNEQZCNGBZLX-NEPJUHHUSA-N 0 1 281.783 3.588 20 0 CHADMN C[C@H](Sc1nc(C2CC2)n[nH]1)c1ccccc1F ZINC000128202935 1128488682 /nfs/dbraw/zinc/48/86/82/1128488682.db2.gz FRFRMGZTZVQREJ-QMMMGPOBSA-N 0 1 263.341 3.675 20 0 CHADMN C[C@H](Sc1n[nH]c(C2CC2)n1)c1ccccc1F ZINC000128202935 1128488684 /nfs/dbraw/zinc/48/86/84/1128488684.db2.gz FRFRMGZTZVQREJ-QMMMGPOBSA-N 0 1 263.341 3.675 20 0 CHADMN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccco2)c1 ZINC000089725128 1128492191 /nfs/dbraw/zinc/49/21/91/1128492191.db2.gz TUEJKFMGMVDCRW-HIFRSBDPSA-N 0 1 284.359 3.811 20 0 CHADMN CCCCCN(Cc1nc(C)no1)[C@@H](C)CCC ZINC000067984045 1128493052 /nfs/dbraw/zinc/49/30/52/1128493052.db2.gz VRQDJKHLNAQWGK-LBPRGKRZSA-N 0 1 253.390 3.559 20 0 CHADMN Cc1oncc1CN(C)CCCOc1ccc(Cl)cc1 ZINC000128337416 1128492037 /nfs/dbraw/zinc/49/20/37/1128492037.db2.gz HWNIMXIGUZEDIP-UHFFFAOYSA-N 0 1 294.782 3.537 20 0 CHADMN CCN(Cc1cccc(F)c1)[C@H](C)c1ccccn1 ZINC000128500488 1128500680 /nfs/dbraw/zinc/50/06/80/1128500680.db2.gz ULCLYVGPFHRCED-CYBMUJFWSA-N 0 1 258.340 3.804 20 0 CHADMN CC[C@@](C)(NC[C@@H]1CCCC2(CCC2)O1)c1nccs1 ZINC000929991122 1128511475 /nfs/dbraw/zinc/51/14/75/1128511475.db2.gz IHICVZQFPZSATJ-DZGCQCFKSA-N 0 1 294.464 3.850 20 0 CHADMN CC(C)c1cccc2c1CC[N@@H+](CCCCCC(=O)[O-])C2 ZINC000565107984 1128520056 /nfs/dbraw/zinc/52/00/56/1128520056.db2.gz SMXWFSKQAJONIO-UHFFFAOYSA-N 0 1 289.419 3.813 20 0 CHADMN C[C@@H]1c2ccccc2CC[N@@H+]1CCc1ccccc1C(=O)[O-] ZINC000565107005 1128520099 /nfs/dbraw/zinc/52/00/99/1128520099.db2.gz MNVANTYFSJOJBI-CQSZACIVSA-N 0 1 295.382 3.547 20 0 CHADMN CCCOCc1ccccc1CN[C@H](C)c1cncnc1C ZINC000565216247 1128521914 /nfs/dbraw/zinc/52/19/14/1128521914.db2.gz JLGLUQOMNRHKJV-CQSZACIVSA-N 0 1 299.418 3.562 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](CC[C@@H]1CCC[C@@H](C)C1)C1CCC1 ZINC000565252062 1128522842 /nfs/dbraw/zinc/52/28/42/1128522842.db2.gz ADJRFYILJPGQDB-RDBSUJKOSA-N 0 1 267.413 3.530 20 0 CHADMN CC[C@@H](Cc1ccccc1)[N@@H+](CC)Cc1ncccc1[O-] ZINC000565508386 1128527849 /nfs/dbraw/zinc/52/78/49/1128527849.db2.gz RSQPPKUXYYVRMS-INIZCTEOSA-N 0 1 284.403 3.630 20 0 CHADMN CN(Cc1nnc(C2CC2)o1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000565642524 1128529613 /nfs/dbraw/zinc/52/96/13/1128529613.db2.gz GQPCWNVUHDGJBZ-CVEARBPZSA-N 0 1 297.402 3.715 20 0 CHADMN c1cc2c(cccc2CNCc2ccn(C3CCCC3)n2)[nH]1 ZINC000129068535 1128529937 /nfs/dbraw/zinc/52/99/37/1128529937.db2.gz KSZCRTOSIZXBRJ-UHFFFAOYSA-N 0 1 294.402 3.769 20 0 CHADMN CCCCCCNC(=O)CN(C)[C@H](C)c1ccccc1C ZINC000918024095 1128530837 /nfs/dbraw/zinc/53/08/37/1128530837.db2.gz SLIAVNFSXCZTQP-MRXNPFEDSA-N 0 1 290.451 3.684 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000565744288 1128531946 /nfs/dbraw/zinc/53/19/46/1128531946.db2.gz RPVMXNYUHDCTGR-UHOFOFEASA-N 0 1 277.383 3.776 20 0 CHADMN C[C@@H](c1noc(-c2ccc(-c3nnc[nH]3)cc2)n1)C(C)(C)C ZINC000565859125 1128533659 /nfs/dbraw/zinc/53/36/59/1128533659.db2.gz WGYMFCUDBJCRDV-JTQLQIEISA-N 0 1 297.362 3.671 20 0 CHADMN C[C@@H]1CCCC[N@H+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000565838690 1128533817 /nfs/dbraw/zinc/53/38/17/1128533817.db2.gz QHONBUCYWDZIJM-YGRLFVJLSA-N 0 1 299.773 3.727 20 0 CHADMN COc1ccccc1[C@@H](CC(C)C)NCc1cnoc1C ZINC000129948436 1128559833 /nfs/dbraw/zinc/55/98/33/1128559833.db2.gz JDPMTGAEDMRSDM-MRXNPFEDSA-N 0 1 288.391 3.869 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000566078282 1128538475 /nfs/dbraw/zinc/53/84/75/1128538475.db2.gz SYIINQOSXIZIKW-CYBMUJFWSA-N 0 1 271.408 3.900 20 0 CHADMN CC(C)O[C@@H]1CCN([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000566173614 1128539708 /nfs/dbraw/zinc/53/97/08/1128539708.db2.gz ONEJNVCHIHQVIM-WCQYABFASA-N 0 1 269.335 3.525 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@H](CC(C)C)C(=O)[O-])c(Cl)c1 ZINC000566360637 1128542670 /nfs/dbraw/zinc/54/26/70/1128542670.db2.gz XIFYKGXYGJIJFF-CQSZACIVSA-N 0 1 283.799 3.580 20 0 CHADMN O=C([O-])CC1(C[N@H+]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000566357983 1128542999 /nfs/dbraw/zinc/54/29/99/1128542999.db2.gz BRIDBFUTJGRRFY-INIZCTEOSA-N 0 1 287.403 3.511 20 0 CHADMN C[C@H]1C[C@H](CCNc2noc3ccc(Cl)cc32)CCO1 ZINC000566396630 1128543704 /nfs/dbraw/zinc/54/37/04/1128543704.db2.gz MGUOTXHVLYBMLQ-WDEREUQCSA-N 0 1 294.782 3.520 20 0 CHADMN CCCCCc1ccc(NC(=O)[C@H](C)Cc2cnc[nH]2)cc1 ZINC000566433539 1128544360 /nfs/dbraw/zinc/54/43/60/1128544360.db2.gz VJRMUFCGDVRTFY-CQSZACIVSA-N 0 1 299.418 3.960 20 0 CHADMN CC[C@H](c1ccccc1)N(CC)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000566436458 1128544474 /nfs/dbraw/zinc/54/44/74/1128544474.db2.gz KMMDQAYCHNXDFY-WMLDXEAASA-N 0 1 299.418 3.588 20 0 CHADMN CC[C@]1(C)CC[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000566567497 1128546778 /nfs/dbraw/zinc/54/67/78/1128546778.db2.gz QZISKGQCKQTDGU-OAHLLOKOSA-N 0 1 281.783 3.660 20 0 CHADMN C[C@H](c1ccccc1F)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000566766656 1128551272 /nfs/dbraw/zinc/55/12/72/1128551272.db2.gz YZIVDIWKEBEDNC-KCXAZCMYSA-N 0 1 277.383 3.776 20 0 CHADMN CC(C)(C)c1cccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000566805351 1128552248 /nfs/dbraw/zinc/55/22/48/1128552248.db2.gz HLIIOWYUBUJZJW-OAHLLOKOSA-N 0 1 297.402 3.515 20 0 CHADMN CCc1cc(NC(=O)c2cn[nH]c2C(C)(C)C)ccc1C ZINC000498275816 1128552720 /nfs/dbraw/zinc/55/27/20/1128552720.db2.gz KEFLUOVBLCUMSC-UHFFFAOYSA-N 0 1 285.391 3.830 20 0 CHADMN c1ccc2c(c1)[nH]c1c2C[C@@H](Nc2cc3c(cn2)CCC3)C1 ZINC000567069124 1128557269 /nfs/dbraw/zinc/55/72/69/1128557269.db2.gz VMNHYGXNUFPJEY-CQSZACIVSA-N 0 1 289.382 3.631 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@@H]1CCC[C@@H]1F)CCS2 ZINC000556258574 1128570218 /nfs/dbraw/zinc/57/02/18/1128570218.db2.gz BHTVNOOMQDZWJP-MELADBBJSA-N 0 1 281.396 3.712 20 0 CHADMN C[C@H]1C[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])C(C)(C)C1 ZINC000569981596 1128613665 /nfs/dbraw/zinc/61/36/65/1128613665.db2.gz KNMVZCDUCXPJMS-SNVBAGLBSA-N 0 1 281.783 3.659 20 0 CHADMN CC(C)(C)C(C)(C)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000556292279 1128572994 /nfs/dbraw/zinc/57/29/94/1128572994.db2.gz KNOTYJSBNRRBSP-UHFFFAOYSA-N 0 1 284.363 3.937 20 0 CHADMN C[C@@H](c1cccc(F)c1)N1CCN(Cc2ccccc2)CC1 ZINC000556276454 1128573388 /nfs/dbraw/zinc/57/33/88/1128573388.db2.gz KURPARBKOHNNNI-INIZCTEOSA-N 0 1 298.405 3.705 20 0 CHADMN Cc1cc(CN2CCOC[C@@H]2C2CCC2)cc2cccnc12 ZINC000567905145 1128573646 /nfs/dbraw/zinc/57/36/46/1128573646.db2.gz GGEAAPQNBXIOTG-GOSISDBHSA-N 0 1 296.414 3.544 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1C(=O)c1c(O)cccc1F ZINC000130225373 1128573930 /nfs/dbraw/zinc/57/39/30/1128573930.db2.gz JXKJARXJRBRECL-AAEUAGOBSA-N 0 1 279.355 3.572 20 0 CHADMN CC[C@H](C(=O)O[C@H](C)c1c(F)cccc1F)N(CC)CC ZINC000778616949 1128574481 /nfs/dbraw/zinc/57/44/81/1128574481.db2.gz CTULWYQDNHBVHU-BXUZGUMPSA-N 0 1 299.361 3.689 20 0 CHADMN CC(C)C[C@@H]1CCCN1Cc1nc(Cc2ccccc2)no1 ZINC000130241674 1128575126 /nfs/dbraw/zinc/57/51/26/1128575126.db2.gz KSLLDGXBWSJJAG-INIZCTEOSA-N 0 1 299.418 3.671 20 0 CHADMN CC1=C(C)C[C@@H](C(=O)Nc2ccc3nc[nH]c3c2)CC1 ZINC000567943277 1128575584 /nfs/dbraw/zinc/57/55/84/1128575584.db2.gz FMYURCGQDRMUGE-LBPRGKRZSA-N 0 1 269.348 3.638 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(Cl)c2ccccc12 ZINC000568066119 1128576742 /nfs/dbraw/zinc/57/67/42/1128576742.db2.gz PUSXIYZIOWVIFG-UHFFFAOYSA-N 0 1 291.778 3.790 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000568060698 1128577462 /nfs/dbraw/zinc/57/74/62/1128577462.db2.gz KWQOXDRKQBECAT-CYBMUJFWSA-N 0 1 267.394 3.530 20 0 CHADMN CC(C)CC[C@H]1CCCC[N@@H+]1Cc1ncccc1[O-] ZINC000568139840 1128578652 /nfs/dbraw/zinc/57/86/52/1128578652.db2.gz RXIIWEDXLSRRRD-CQSZACIVSA-N 0 1 262.397 3.578 20 0 CHADMN CC(C)CC[C@H]1CCCC[N@H+]1Cc1ncccc1[O-] ZINC000568139840 1128578655 /nfs/dbraw/zinc/57/86/55/1128578655.db2.gz RXIIWEDXLSRRRD-CQSZACIVSA-N 0 1 262.397 3.578 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000568240152 1128581371 /nfs/dbraw/zinc/58/13/71/1128581371.db2.gz ZWBWIFFERKKJFW-CMPLNLGQSA-N 0 1 275.783 3.850 20 0 CHADMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000568288665 1128581999 /nfs/dbraw/zinc/58/19/99/1128581999.db2.gz HDVLVULGMZZEBA-NEPJUHHUSA-N 0 1 293.382 3.923 20 0 CHADMN CC(=O)c1cc(CN2CCC[C@@H](c3ccccc3)CC2)on1 ZINC000568410594 1128584082 /nfs/dbraw/zinc/58/40/82/1128584082.db2.gz RVEFOCFCPAHSJJ-MRXNPFEDSA-N 0 1 298.386 3.647 20 0 CHADMN CC(C)(C)c1[nH]ncc1C(=O)Nc1cncc2ccccc21 ZINC000556690060 1128614796 /nfs/dbraw/zinc/61/47/96/1128614796.db2.gz HHEJQSIFHIBFED-UHFFFAOYSA-N 0 1 294.358 3.508 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@](C)(CCC)C1 ZINC000568521356 1128586874 /nfs/dbraw/zinc/58/68/74/1128586874.db2.gz WNIMCUIRVJJQBI-UKRRQHHQSA-N 0 1 255.402 3.532 20 0 CHADMN CC(C)(C)C[N@H+](Cc1ccccc1)Cc1ncccc1[O-] ZINC000568696218 1128589861 /nfs/dbraw/zinc/58/98/61/1128589861.db2.gz VJXNHSHMDQDQQO-UHFFFAOYSA-N 0 1 284.403 3.836 20 0 CHADMN CC(C)(C)C[N@@H+](Cc1ccccc1)Cc1ncccc1[O-] ZINC000568696218 1128589863 /nfs/dbraw/zinc/58/98/63/1128589863.db2.gz VJXNHSHMDQDQQO-UHFFFAOYSA-N 0 1 284.403 3.836 20 0 CHADMN Cc1cccc(-c2noc(CN(C)[C@@H](C)C(C)C)n2)c1 ZINC000556483372 1128593740 /nfs/dbraw/zinc/59/37/40/1128593740.db2.gz VRGDWZXIRFTIGT-ZDUSSCGKSA-N 0 1 273.380 3.521 20 0 CHADMN Cc1noc([C@H](C)NCCc2ccc(C(C)(C)C)cc2)n1 ZINC000569024229 1128596655 /nfs/dbraw/zinc/59/66/55/1128596655.db2.gz FICMFHKLFXEUFO-LBPRGKRZSA-N 0 1 287.407 3.569 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)Cc1ccn(C)c1 ZINC000130847847 1128598706 /nfs/dbraw/zinc/59/87/06/1128598706.db2.gz HQWHJVSECVHUPB-LBPRGKRZSA-N 0 1 262.784 3.872 20 0 CHADMN CC1CCC(N(C)Cc2nc(C3CCCC3)no2)CC1 ZINC000130935796 1128601855 /nfs/dbraw/zinc/60/18/55/1128601855.db2.gz UMEIFYYPYLLSEI-UHFFFAOYSA-N 0 1 277.412 3.738 20 0 CHADMN CC[C@@H](C)N(C)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000170760654 1128604592 /nfs/dbraw/zinc/60/45/92/1128604592.db2.gz WGIZHZUGSNETKD-SNVBAGLBSA-N 0 1 291.782 3.601 20 0 CHADMN C[C@H]1CCCN(Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000131258241 1128611060 /nfs/dbraw/zinc/61/10/60/1128611060.db2.gz WJLKSCXQWRRQSX-NSHDSACASA-N 0 1 292.329 3.852 20 0 CHADMN FC(F)[C@H](CCc1ccccc1)NCCC1CCOCC1 ZINC000498916977 1128620482 /nfs/dbraw/zinc/62/04/82/1128620482.db2.gz FPSAGGRIMNLIRB-INIZCTEOSA-N 0 1 297.389 3.659 20 0 CHADMN Fc1ccccc1CN=c1[nH]c2cc(F)c(F)cc2s1 ZINC000570472094 1128624538 /nfs/dbraw/zinc/62/45/38/1128624538.db2.gz CKKJWFDPWLPBEQ-UHFFFAOYSA-N 0 1 294.301 3.748 20 0 CHADMN COc1cc(C)cc(F)c1-c1cccc2nc(C)[nH]c21 ZINC001236231380 1128627753 /nfs/dbraw/zinc/62/77/53/1128627753.db2.gz IBOMEJAWMKRMMM-UHFFFAOYSA-N 0 1 270.307 3.994 20 0 CHADMN CN(Cc1ccncc1F)[C@H]1CCCc2ccccc21 ZINC000570640232 1128628887 /nfs/dbraw/zinc/62/88/87/1128628887.db2.gz YGLXLBLUVVERGL-KRWDZBQOSA-N 0 1 270.351 3.730 20 0 CHADMN C[C@H](Cc1ccsc1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000570717603 1128630551 /nfs/dbraw/zinc/63/05/51/1128630551.db2.gz HUGRIGATXMMALT-OCCSQVGLSA-N 0 1 275.421 3.629 20 0 CHADMN Cc1cc(C)cc(C[C@H](C)N[C@H](C)c2ncco2)c1 ZINC000925472343 1128631560 /nfs/dbraw/zinc/63/15/60/1128631560.db2.gz SAJNMLCFPUOQGG-UONOGXRCSA-N 0 1 258.365 3.573 20 0 CHADMN CCc1ccc(-c2noc([C@@H]3CCCN3C3CC3)n2)cc1 ZINC000571956685 1128640550 /nfs/dbraw/zinc/64/05/50/1128640550.db2.gz MPWRYLNTGQYMSI-HNNXBMFYSA-N 0 1 283.375 3.598 20 0 CHADMN C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000572250536 1128643869 /nfs/dbraw/zinc/64/38/69/1128643869.db2.gz YWRRZGOWEOCKOC-LLVKDONJSA-N 0 1 293.794 3.803 20 0 CHADMN CCCN(CC)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000499084481 1128643950 /nfs/dbraw/zinc/64/39/50/1128643950.db2.gz OSLXSQKAKIUPQW-UHFFFAOYSA-N 0 1 291.782 3.602 20 0 CHADMN CC(C)[C@H]1CN([C@@H](C)c2ccc(F)c(F)c2)CCCO1 ZINC000572546060 1128645186 /nfs/dbraw/zinc/64/51/86/1128645186.db2.gz KDXRGVABFYUWNG-BLLLJJGKSA-N 0 1 283.362 3.773 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CCN1Cc1cncc(F)c1 ZINC000572909480 1128649591 /nfs/dbraw/zinc/64/95/91/1128649591.db2.gz USSHVKYOEOKRHR-YOEHRIQHSA-N 0 1 284.378 3.989 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)COC2)c1ccc(F)cc1F ZINC000763444417 1128649918 /nfs/dbraw/zinc/64/99/18/1128649918.db2.gz LBQKCVGOQZAXKQ-LLVKDONJSA-N 0 1 289.325 3.846 20 0 CHADMN Cc1nc(CN[C@@H](c2ccccc2C)C(C)C)[nH]c1C ZINC000573460576 1128654221 /nfs/dbraw/zinc/65/42/21/1128654221.db2.gz VWZKGHOZFACZCO-QGZVFWFLSA-N 0 1 271.408 3.822 20 0 CHADMN C[C@H]1CCCC[C@@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000573831990 1128658484 /nfs/dbraw/zinc/65/84/84/1128658484.db2.gz RDKAJRVDBVAJJF-JQWIXIFHSA-N 0 1 282.347 3.907 20 0 CHADMN CC[C@H](C)[C@H](C)[N@@H+](Cc1ccsc1C(=O)[O-])C1CC1 ZINC000573975157 1128660553 /nfs/dbraw/zinc/66/05/53/1128660553.db2.gz KQVUJRATEKBRPH-QWRGUYRKSA-N 0 1 281.421 3.845 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000574165287 1128662068 /nfs/dbraw/zinc/66/20/68/1128662068.db2.gz TUQBJKGOGJUGBL-PBHICJAKSA-N 0 1 289.419 3.828 20 0 CHADMN Cc1ncc(CN2Cc3ccccc3[C@H](C)C2)s1 ZINC000920085350 1128663856 /nfs/dbraw/zinc/66/38/56/1128663856.db2.gz NEOUXIQBAYGCEC-LLVKDONJSA-N 0 1 258.390 3.571 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000574922277 1128664804 /nfs/dbraw/zinc/66/48/04/1128664804.db2.gz MIROHTJXKQFJDD-BHYGNILZSA-N 0 1 289.419 3.611 20 0 CHADMN CN(C)Cc1ccc(NC(=O)C[C@H]2C=CCCC2)cc1F ZINC000778956770 1128672351 /nfs/dbraw/zinc/67/23/51/1128672351.db2.gz RQQBBJBKVBQXGF-ZDUSSCGKSA-N 0 1 290.382 3.572 20 0 CHADMN CCc1ccc(NC(=O)c2c(O)cccc2Cl)cc1 ZINC000920430420 1128683207 /nfs/dbraw/zinc/68/32/07/1128683207.db2.gz NYQPKQZLFJFPNJ-UHFFFAOYSA-N 0 1 275.735 3.860 20 0 CHADMN CC[C@H](OC(=O)c1[nH]nc2c1CCCC2)c1ccc(C)cc1 ZINC000920801280 1128692237 /nfs/dbraw/zinc/69/22/37/1128692237.db2.gz QCZBRPZMECGJTG-INIZCTEOSA-N 0 1 298.386 3.905 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000577901866 1128698221 /nfs/dbraw/zinc/69/82/21/1128698221.db2.gz QKWWQMPBPPLJCK-NUJGCVRESA-N 0 1 294.398 3.555 20 0 CHADMN [O-]c1cccnc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000577901866 1128698225 /nfs/dbraw/zinc/69/82/25/1128698225.db2.gz QKWWQMPBPPLJCK-NUJGCVRESA-N 0 1 294.398 3.555 20 0 CHADMN Cc1cccc2c1CC[C@H]2NCc1cc(C(F)(F)F)n[nH]1 ZINC000578014832 1128703361 /nfs/dbraw/zinc/70/33/61/1128703361.db2.gz CPYISTKGVQGLGH-CYBMUJFWSA-N 0 1 295.308 3.514 20 0 CHADMN CSC1CCN(c2ccnc3cc(F)ccc32)CC1 ZINC000601207917 1128704060 /nfs/dbraw/zinc/70/40/60/1128704060.db2.gz UBIHUWUGGVEQCX-UHFFFAOYSA-N 0 1 276.380 3.706 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCC[C@@H]2c2ccccc2)cs1 ZINC000578329779 1128714861 /nfs/dbraw/zinc/71/48/61/1128714861.db2.gz MTLFKKUZLYCAFY-CQSZACIVSA-N 0 1 287.384 3.783 20 0 CHADMN Cc1nc2c(n1CCCOc1ccccc1C)CCCC2 ZINC000578404660 1128717208 /nfs/dbraw/zinc/71/72/08/1128717208.db2.gz YQYILBYLPFNMOU-UHFFFAOYSA-N 0 1 284.403 3.848 20 0 CHADMN C[C@H](CC(=O)OC(C)(C)C)N[C@@H](C)c1cc(F)ccc1F ZINC000609574658 1128718258 /nfs/dbraw/zinc/71/82/58/1128718258.db2.gz OBKAYRCAHJGCAQ-MNOVXSKESA-N 0 1 299.361 3.736 20 0 CHADMN CC(C)c1cc(C(=O)N2CC[C@H](C(C)(C)C)C[C@H]2C)n[nH]1 ZINC000578546140 1128721192 /nfs/dbraw/zinc/72/11/92/1128721192.db2.gz RRUYCXZYNASWBG-OLZOCXBDSA-N 0 1 291.439 3.820 20 0 CHADMN CC(C)C[C@@H](C)C[C@@H](C)NCc1nccc(Cl)n1 ZINC001258061554 1128723838 /nfs/dbraw/zinc/72/38/38/1128723838.db2.gz KXGNHSPJMAGCHM-VXGBXAGGSA-N 0 1 269.820 3.680 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](C)CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000578756385 1128728739 /nfs/dbraw/zinc/72/87/39/1128728739.db2.gz QPMJWEJWROMLKV-MAUKXSAKSA-N 0 1 297.398 3.938 20 0 CHADMN CC(C)=CCNc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000578798376 1128729278 /nfs/dbraw/zinc/72/92/78/1128729278.db2.gz ZCUPJGAVKGDBBN-HZPDHXFCSA-N 0 1 288.435 3.674 20 0 CHADMN C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc(Cl)ccc1[O-] ZINC000184987512 1117747383 /nfs/dbraw/zinc/74/73/83/1117747383.db2.gz MBWACJWVCGNBIT-LLVKDONJSA-N 0 1 286.762 3.768 20 0 CHADMN CC[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])N1CCCC1 ZINC000184990600 1117747964 /nfs/dbraw/zinc/74/79/64/1117747964.db2.gz WUVADMIKXTUWMX-OCCSQVGLSA-N 0 1 296.842 3.571 20 0 CHADMN CCOc1cc2c(cc1OCC)C[N@@H+](CC[C@H](C)F)CC2 ZINC000351864664 1117750178 /nfs/dbraw/zinc/75/01/78/1117750178.db2.gz SRWADILDKKXLMZ-ZDUSSCGKSA-N 0 1 295.398 3.590 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2cscc2Cl)n[nH]1 ZINC000683078207 1117750937 /nfs/dbraw/zinc/75/09/37/1117750937.db2.gz CEYPLCXWBSDURG-RKDXNWHRSA-N 0 1 298.843 3.884 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)Nc2ncc(Cl)s2)n[nH]1 ZINC000683079670 1117753463 /nfs/dbraw/zinc/75/34/63/1117753463.db2.gz VHBPBIXTWHZDLY-NKWVEPMBSA-N 0 1 285.804 3.601 20 0 CHADMN C[C@H](NCC(=O)Nc1cccc(Cl)c1)c1ccsc1 ZINC000061363376 1117754218 /nfs/dbraw/zinc/75/42/18/1117754218.db2.gz ASOHISZRKUWXSN-JTQLQIEISA-N 0 1 294.807 3.691 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)Nc2ncc(Cl)s2)n[nH]1 ZINC000683079671 1117754238 /nfs/dbraw/zinc/75/42/38/1117754238.db2.gz VHBPBIXTWHZDLY-RNFRBKRXSA-N 0 1 285.804 3.601 20 0 CHADMN Cc1noc(C)c1CN(C)[C@@H](C)c1cccc(C)c1 ZINC000072513676 1117757650 /nfs/dbraw/zinc/75/76/50/1117757650.db2.gz IINKSVHGWSOFKU-ZDUSSCGKSA-N 0 1 258.365 3.793 20 0 CHADMN CCc1ccc([C@H](C)NCc2c(C)noc2C)cc1 ZINC000035009844 1117759595 /nfs/dbraw/zinc/75/95/95/1117759595.db2.gz IOTLVAZMLUURBC-NSHDSACASA-N 0 1 258.365 3.705 20 0 CHADMN C[C@H](C[N@H+]1Cc2ccc(F)cc2C1)c1ccccc1 ZINC001207909538 1117760626 /nfs/dbraw/zinc/76/06/26/1117760626.db2.gz CTNQUWSAZVGEFY-CYBMUJFWSA-N 0 1 255.336 3.945 20 0 CHADMN C[C@H](CN1Cc2ccc(F)cc2C1)c1ccccc1 ZINC001207909538 1117760631 /nfs/dbraw/zinc/76/06/31/1117760631.db2.gz CTNQUWSAZVGEFY-CYBMUJFWSA-N 0 1 255.336 3.945 20 0 CHADMN Cc1ccc(CCC[N@H+]2CCc3c(F)cccc3C2)o1 ZINC001207951077 1117768387 /nfs/dbraw/zinc/76/83/87/1117768387.db2.gz SNGQWFOFLRSMCD-UHFFFAOYSA-N 0 1 273.351 3.718 20 0 CHADMN Cc1ccc(CCCN2CCc3c(F)cccc3C2)o1 ZINC001207951077 1117768388 /nfs/dbraw/zinc/76/83/88/1117768388.db2.gz SNGQWFOFLRSMCD-UHFFFAOYSA-N 0 1 273.351 3.718 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCC[C@H]1c1ccsc1 ZINC000274639677 1117777948 /nfs/dbraw/zinc/77/79/48/1117777948.db2.gz YUTHKOZMPFWRHL-LBPRGKRZSA-N 0 1 291.347 3.570 20 0 CHADMN CO[C@@H](C)CN(C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000579764082 1117781101 /nfs/dbraw/zinc/78/11/01/1117781101.db2.gz QCBGXNOJISWUAG-VIFPVBQESA-N 0 1 295.732 3.826 20 0 CHADMN c1c[nH]c(CN[C@H](c2ccccc2)C2CCCCC2)n1 ZINC000067695631 1117792554 /nfs/dbraw/zinc/79/25/54/1117792554.db2.gz TYVBUQGVJZXMBE-QGZVFWFLSA-N 0 1 269.392 3.821 20 0 CHADMN C[C@@H]1CC2(CCC2)C[N@H+]1CC[C@H](C(=O)[O-])c1ccccc1 ZINC000579016740 1128735657 /nfs/dbraw/zinc/73/56/57/1128735657.db2.gz ZHUHVEHUWPMDHL-ZBFHGGJFSA-N 0 1 287.403 3.509 20 0 CHADMN Cc1ccc(C)c([C@H](C)N(C)C(=O)c2cc(C3CC3)[nH]n2)c1 ZINC000074438078 1117811697 /nfs/dbraw/zinc/81/16/97/1117811697.db2.gz SKYHVOFQOWDMKZ-ZDUSSCGKSA-N 0 1 297.402 3.737 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1Cc1nnc(C(C)(C)C)o1 ZINC000072775463 1117814319 /nfs/dbraw/zinc/81/43/19/1117814319.db2.gz PMQZETYLFGDCSI-STQMWFEESA-N 0 1 279.428 3.768 20 0 CHADMN CCN(CCOc1ccccc1Cl)CCC(F)(F)F ZINC000623121706 1117816256 /nfs/dbraw/zinc/81/62/56/1117816256.db2.gz DTFYQVDNJNMDLT-UHFFFAOYSA-N 0 1 295.732 3.993 20 0 CHADMN CCc1cc(NC(=O)[C@H]2C[C@@H](C)Cc3cn[nH]c32)ccc1C ZINC000623208605 1117823826 /nfs/dbraw/zinc/82/38/26/1117823826.db2.gz WDPRBQULKFOSBK-ZBEGNZNMSA-N 0 1 297.402 3.585 20 0 CHADMN CC(C)c1ncc2c(n1)CCN([C@H]1CCc3ccccc31)C2 ZINC000623252512 1117826950 /nfs/dbraw/zinc/82/69/50/1117826950.db2.gz NGHUVTASBNCIJU-SFHVURJKSA-N 0 1 293.414 3.646 20 0 CHADMN CS[C@H](C)CCN(C)Cc1cccc(F)c1F ZINC001208147959 1117827642 /nfs/dbraw/zinc/82/76/42/1117827642.db2.gz KUCXFGFCHZDTTD-SNVBAGLBSA-N 0 1 259.365 3.538 20 0 CHADMN CC[C@H](NC(=O)C=CC1CCCC1)c1nc2ccccc2[nH]1 ZINC000843541432 1117830090 /nfs/dbraw/zinc/83/00/90/1117830090.db2.gz KJNDJBVMALZBNN-NYHXXUGCSA-N 0 1 297.402 3.877 20 0 CHADMN Brc1ccc(CN2CCC[C@H]2C2CCC2)o1 ZINC000361565070 1117831754 /nfs/dbraw/zinc/83/17/54/1117831754.db2.gz OQGMEKINKQJMTF-LBPRGKRZSA-N 0 1 284.197 3.807 20 0 CHADMN Cc1ccccc1CNCc1ccc(F)c(F)c1N(C)C ZINC000623339220 1117834374 /nfs/dbraw/zinc/83/43/74/1117834374.db2.gz OZIXUMJSCOCDKC-UHFFFAOYSA-N 0 1 290.357 3.629 20 0 CHADMN CCCc1cc(C(=O)N(C)C/C(C)=C\c2ccccc2)n[nH]1 ZINC000683176542 1117835179 /nfs/dbraw/zinc/83/51/79/1117835179.db2.gz XKBOEWILIXELOC-KAMYIIQDSA-N 0 1 297.402 3.538 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N(C)Cc1cc(C)ccc1C ZINC000430194233 1117839317 /nfs/dbraw/zinc/83/93/17/1117839317.db2.gz HSBVSNWFMTXXSX-UHFFFAOYSA-N 0 1 299.418 3.731 20 0 CHADMN C[C@H]1C[C@@H]1C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000683183294 1117842142 /nfs/dbraw/zinc/84/21/42/1117842142.db2.gz ZDDMXJDLTJJHLN-FZMZJTMJSA-N 0 1 291.354 3.824 20 0 CHADMN Cc1ccc(CN[C@H](C)[C@@H](O)c2c(F)cccc2Cl)o1 ZINC000072923236 1117844869 /nfs/dbraw/zinc/84/48/69/1117844869.db2.gz NNBRQKJVONZVRA-MEBBXXQBSA-N 0 1 297.757 3.592 20 0 CHADMN Cc1ccc(F)cc1CNc1cc2c(cn1)CCC2 ZINC000339552243 1117848342 /nfs/dbraw/zinc/84/83/42/1117848342.db2.gz BYSQADRHFGWQSJ-UHFFFAOYSA-N 0 1 256.324 3.630 20 0 CHADMN CC[C@H](CN[C@@H](C)c1nc(C(C)(C)C)no1)CC(F)F ZINC000660271443 1117851480 /nfs/dbraw/zinc/85/14/80/1117851480.db2.gz DWGJKLGCODOYRP-UWVGGRQHSA-N 0 1 289.370 3.699 20 0 CHADMN Fc1ccc(F)c(CN[C@@H]2CCC(F)(F)C2)c1Cl ZINC000623451419 1117857866 /nfs/dbraw/zinc/85/78/66/1117857866.db2.gz XNYOWNUIMANVRM-SSDOTTSWSA-N 0 1 281.680 3.896 20 0 CHADMN Fc1ccc(F)c(CN[C@H]2CCC(F)(F)C2)c1Cl ZINC000623451420 1117857923 /nfs/dbraw/zinc/85/79/23/1117857923.db2.gz XNYOWNUIMANVRM-ZETCQYMHSA-N 0 1 281.680 3.896 20 0 CHADMN CSC[C@@H]1CCCN(Cc2ncc(C(C)C)s2)C1 ZINC000430201700 1117858790 /nfs/dbraw/zinc/85/87/90/1117858790.db2.gz ZMRIBIRFBKDPHB-GFCCVEGCSA-N 0 1 284.494 3.842 20 0 CHADMN CC[C@H]1CCN1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000430203346 1117859188 /nfs/dbraw/zinc/85/91/88/1117859188.db2.gz JFDXVMOKVMTCRJ-NSHDSACASA-N 0 1 291.288 3.751 20 0 CHADMN F[C@@]1(c2ccccc2)CCN(Cc2[nH]nc3ccccc32)C1 ZINC000670272146 1117870406 /nfs/dbraw/zinc/87/04/06/1117870406.db2.gz NGTKKIPVHWYERS-SFHVURJKSA-N 0 1 295.361 3.634 20 0 CHADMN CCOCc1ccc(CN[C@@H](C)c2ccoc2)cc1 ZINC000177913080 1117882235 /nfs/dbraw/zinc/88/22/35/1117882235.db2.gz ICLPYJBQUVPENL-ZDUSSCGKSA-N 0 1 259.349 3.667 20 0 CHADMN CC[C@@H](CSc1ccc(Cl)cc1)NCc1cc[nH]n1 ZINC000177958423 1117882517 /nfs/dbraw/zinc/88/25/17/1117882517.db2.gz HCVUWYPWSWQUFL-LBPRGKRZSA-N 0 1 295.839 3.724 20 0 CHADMN Cc1cccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1F ZINC001137677131 1117885964 /nfs/dbraw/zinc/88/59/64/1117885964.db2.gz AQVDKZHNKZZYSV-OAHLLOKOSA-N 0 1 284.378 3.909 20 0 CHADMN Cc1ccccc1CN(Cc1ccccn1)C[C@H]1CCCO1 ZINC000579236513 1128741855 /nfs/dbraw/zinc/74/18/55/1128741855.db2.gz AMKZGZJEOQHAFE-LJQANCHMSA-N 0 1 296.414 3.571 20 0 CHADMN Fc1ccc2oc(CN[C@H]3CCC[C@@H]3F)cc2c1 ZINC000339582633 1117888433 /nfs/dbraw/zinc/88/84/33/1117888433.db2.gz GYGDKWARXHQWRO-STQMWFEESA-N 0 1 251.276 3.552 20 0 CHADMN CC1(C)COCCN1Cc1csc2ccccc12 ZINC000066423818 1117890845 /nfs/dbraw/zinc/89/08/45/1117890845.db2.gz UDNXEEHICHAQNS-UHFFFAOYSA-N 0 1 261.390 3.512 20 0 CHADMN CO[C@@H](CSc1nc(C)c(-c2ccccc2)[nH]1)C1CC1 ZINC000579237458 1128742082 /nfs/dbraw/zinc/74/20/82/1128742082.db2.gz NVFMLVXSWZAHIP-AWEZNQCLSA-N 0 1 288.416 3.902 20 0 CHADMN Cc1nn(-c2ccccc2)c(C)c1CN[C@@H](C)c1ccoc1 ZINC000178352862 1117891346 /nfs/dbraw/zinc/89/13/46/1117891346.db2.gz PDLAGTWMFNZHCI-ZDUSSCGKSA-N 0 1 295.386 3.933 20 0 CHADMN CCCN(Cc1coc(-c2c(F)cccc2F)n1)C1CC1 ZINC000178659695 1117894851 /nfs/dbraw/zinc/89/48/51/1117894851.db2.gz KMNDMINMZGRCPD-UHFFFAOYSA-N 0 1 292.329 3.994 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@H]1CC(C)(C)Cc2occc21 ZINC000178717794 1117895395 /nfs/dbraw/zinc/89/53/95/1117895395.db2.gz QKKSSKUKIHZTKZ-ABAIWWIYSA-N 0 1 287.407 3.686 20 0 CHADMN Cc1ccc(CN2CC3(C2)CC(F)(F)C3)cc1C ZINC000683221052 1117895578 /nfs/dbraw/zinc/89/55/78/1117895578.db2.gz GZXZEEQRKDEXAY-UHFFFAOYSA-N 0 1 251.320 3.535 20 0 CHADMN CC(C)c1cnc(CN[C@H]2CCc3cc(N)ccc32)s1 ZINC000579258941 1128742337 /nfs/dbraw/zinc/74/23/37/1128742337.db2.gz DVYRKAQAIODGPW-AWEZNQCLSA-N 0 1 287.432 3.626 20 0 CHADMN COc1ccsc1[C@H](C)NCc1ccc2c(c1)COC2 ZINC000349422654 1117897736 /nfs/dbraw/zinc/89/77/36/1117897736.db2.gz SVXCVPOKFYABOP-NSHDSACASA-N 0 1 289.400 3.638 20 0 CHADMN CC(C)OC1CC(N[C@H](C)c2c(F)cccc2F)C1 ZINC000349418137 1117898702 /nfs/dbraw/zinc/89/87/02/1117898702.db2.gz AJKSSUNNOFWWAE-VOMCLLRMSA-N 0 1 269.335 3.571 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H](CO)c2ccsc2)c1C ZINC000349428326 1117899323 /nfs/dbraw/zinc/89/93/23/1117899323.db2.gz YTTBPSXCYNCWRF-BBRMVZONSA-N 0 1 275.417 3.749 20 0 CHADMN CC(C)[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(C)C ZINC000471163883 1117903094 /nfs/dbraw/zinc/90/30/94/1117903094.db2.gz CFQZAMXFORJAOZ-GFCCVEGCSA-N 0 1 289.206 3.518 20 0 CHADMN CC[C@H](C)CN(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000179388042 1117905611 /nfs/dbraw/zinc/90/56/11/1117905611.db2.gz YVGKCAWGZIQLDG-LBPRGKRZSA-N 0 1 277.412 3.576 20 0 CHADMN CCCC[C@@H](C)c1nc(-c2ccn3cncc3c2)no1 ZINC000350308963 1117907005 /nfs/dbraw/zinc/90/70/05/1117907005.db2.gz PKIDTCGFTQWMRQ-LLVKDONJSA-N 0 1 270.336 3.678 20 0 CHADMN CN(Cc1ccc[nH]1)Cc1ccc2c(c1)CCCC2 ZINC000430239949 1117908506 /nfs/dbraw/zinc/90/85/06/1117908506.db2.gz NFNRMKAQBPIKQZ-UHFFFAOYSA-N 0 1 254.377 3.526 20 0 CHADMN Cc1cccc(C(C)(C)NCc2cn3ccsc3n2)c1 ZINC000179597176 1117909081 /nfs/dbraw/zinc/90/90/81/1117909081.db2.gz FCPOKZZOGFFJBN-UHFFFAOYSA-N 0 1 285.416 3.729 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1cn(C)nc1C(C)(C)C ZINC000179714194 1117910730 /nfs/dbraw/zinc/91/07/30/1117910730.db2.gz UHPASJCQXQCUET-LBPRGKRZSA-N 0 1 291.464 3.972 20 0 CHADMN CCC[C@@H](CN(C)Cc1cc(C)on1)c1ccccc1 ZINC000179735226 1117912199 /nfs/dbraw/zinc/91/21/99/1117912199.db2.gz OTNRUGLYQQHCAN-INIZCTEOSA-N 0 1 272.392 3.999 20 0 CHADMN C[C@@H](C(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1)C1CCCC1 ZINC000615283173 1128743491 /nfs/dbraw/zinc/74/34/91/1128743491.db2.gz PLGDCHZWZSFBSI-LLVKDONJSA-N 0 1 299.374 3.547 20 0 CHADMN C[C@H](c1nc(C2CCSCC2)no1)N1[C@H](C)CC[C@H]1C ZINC000350884103 1117920517 /nfs/dbraw/zinc/92/05/17/1117920517.db2.gz SNBYZBAZRKKVHO-IJLUTSLNSA-N 0 1 295.452 3.614 20 0 CHADMN CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc3nc[nH]c3c2)CC1 ZINC001625806991 1117928625 /nfs/dbraw/zinc/92/86/25/1117928625.db2.gz KDUDQVGBYZJSJB-JOCQHMNTSA-N 0 1 285.391 3.964 20 0 CHADMN Cc1c[nH]c(CNC(C)(C)c2ccc3ccccc3c2)n1 ZINC000623803814 1117937354 /nfs/dbraw/zinc/93/73/54/1117937354.db2.gz RWJNIYLYQXJZGJ-UHFFFAOYSA-N 0 1 279.387 3.896 20 0 CHADMN C[N@@H+]1CC=C(Nc2cccc(Cl)c2Cl)CC1 ZINC001208859766 1117940849 /nfs/dbraw/zinc/94/08/49/1117940849.db2.gz ZJRNVTRVITTXNX-UHFFFAOYSA-N 0 1 257.164 3.625 20 0 CHADMN Cc1cc(CNCc2cccc(C(C)C)c2)sn1 ZINC000639060101 1117941576 /nfs/dbraw/zinc/94/15/76/1117941576.db2.gz NBVZXZSUSBBRLD-UHFFFAOYSA-N 0 1 260.406 3.865 20 0 CHADMN Cc1cnn(C)c1CN[C@H](C)c1oc2ccccc2c1C ZINC000352702755 1117941824 /nfs/dbraw/zinc/94/18/24/1117941824.db2.gz BETTWNDFOAGSDS-CYBMUJFWSA-N 0 1 283.375 3.634 20 0 CHADMN Fc1cccc(F)c1C1(N[C@@H]2CCCSC2)CCC1 ZINC000623844085 1117945193 /nfs/dbraw/zinc/94/51/93/1117945193.db2.gz DUXPJVSFCBUYGG-LLVKDONJSA-N 0 1 283.387 3.829 20 0 CHADMN Fc1ccc(F)c([C@@H]2CCCN2C[C@@H]2CCC=CO2)c1 ZINC001208880192 1117945573 /nfs/dbraw/zinc/94/55/73/1117945573.db2.gz JYWRLTFFBMZRAQ-BBRMVZONSA-N 0 1 279.330 3.794 20 0 CHADMN CC(C)COC[C@H](N[C@H](C)[C@@H]1CCCCO1)c1ccco1 ZINC000623882847 1117947660 /nfs/dbraw/zinc/94/76/60/1117947660.db2.gz KSIMYZWCMUHTLX-PMPSAXMXSA-N 0 1 295.423 3.541 20 0 CHADMN CCN(Cc1ccncc1Br)C1CCCC1 ZINC000625082999 1117950508 /nfs/dbraw/zinc/95/05/08/1117950508.db2.gz NFMGECTYRRWAFM-UHFFFAOYSA-N 0 1 283.213 3.609 20 0 CHADMN Cc1csc([C@H](C)NC[C@@H](C)Oc2cccc(F)c2)n1 ZINC000623899711 1117950851 /nfs/dbraw/zinc/95/08/51/1117950851.db2.gz QONJJRZZVYKLKI-NEPJUHHUSA-N 0 1 294.395 3.709 20 0 CHADMN Cc1ccc(-c2nnc(CN3CC[C@@H](CC4CC4)C3)o2)cc1 ZINC000339674170 1117952490 /nfs/dbraw/zinc/95/24/90/1117952490.db2.gz RSPSOWKBFAWKSL-HNNXBMFYSA-N 0 1 297.402 3.667 20 0 CHADMN c1sc(-c2ccccn2)nc1CN1CC[C@H](CC2CC2)C1 ZINC000339674675 1117952683 /nfs/dbraw/zinc/95/26/83/1117952683.db2.gz BNXAGSFGHLIWJG-CQSZACIVSA-N 0 1 299.443 3.827 20 0 CHADMN c1sc(C2CC2)nc1CN1CC[C@@H](CC2CC2)C1 ZINC000339677825 1117952776 /nfs/dbraw/zinc/95/27/76/1117952776.db2.gz KVDPMXWOQYRDDP-LBPRGKRZSA-N 0 1 262.422 3.643 20 0 CHADMN c1nc2c(s1)CCC[C@H]2N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000623916981 1117953689 /nfs/dbraw/zinc/95/36/89/1117953689.db2.gz DNMRHXJDAHVQPK-RBSFLKMASA-N 0 1 284.428 3.741 20 0 CHADMN CCCCCC[C@@H](C)CC(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC001266318400 1117954183 /nfs/dbraw/zinc/95/41/83/1117954183.db2.gz QMCLYZNEZYGKBB-OAGGEKHMSA-N 0 1 282.472 3.534 20 0 CHADMN CC(C)O[C@@H]1C[C@H](N[C@H]2CCCc3scnc32)C1(C)C ZINC000623961615 1117962661 /nfs/dbraw/zinc/96/26/61/1117962661.db2.gz JJHYZYUVIUSIBY-FPMFFAJLSA-N 0 1 294.464 3.702 20 0 CHADMN CC[C@H](c1ccccc1OC)N(C)Cc1ccco1 ZINC000579366045 1128746831 /nfs/dbraw/zinc/74/68/31/1128746831.db2.gz CZBZGDZZUWASAK-OAHLLOKOSA-N 0 1 259.349 3.871 20 0 CHADMN CC[C@@H](NCc1cc(C)nc(C)n1)c1cc(C)ccc1C ZINC000623980163 1117965755 /nfs/dbraw/zinc/96/57/55/1117965755.db2.gz YBSRGNFPPUYJQL-GOSISDBHSA-N 0 1 283.419 3.951 20 0 CHADMN Cc1ncccc1CN[C@H]1CCSc2c(F)cccc21 ZINC000237618322 1128747165 /nfs/dbraw/zinc/74/71/65/1128747165.db2.gz JICYQRZSKHUHMU-HNNXBMFYSA-N 0 1 288.391 3.856 20 0 CHADMN CCC(CC)[C@H](NCc1ncc[nH]1)c1ccccc1 ZINC000049715310 1117968766 /nfs/dbraw/zinc/96/87/66/1117968766.db2.gz QOBWYGKGNMJPRM-INIZCTEOSA-N 0 1 257.381 3.677 20 0 CHADMN CCCC[C@H](C)N(CCCC)C(=O)c1cc(C)[nH]n1 ZINC000579872805 1117969066 /nfs/dbraw/zinc/96/90/66/1117969066.db2.gz BOFQISXDEQDBAD-ZDUSSCGKSA-N 0 1 265.401 3.539 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)N[C@H](C)c1ccnn1C ZINC000232672233 1117974554 /nfs/dbraw/zinc/97/45/54/1117974554.db2.gz SKMIMRODZHMVIU-ZIAGYGMSSA-N 0 1 287.407 3.619 20 0 CHADMN C=Cn1cc(CN[C@@H](C)c2ccccc2OC(C)C)cn1 ZINC000232683316 1117974880 /nfs/dbraw/zinc/97/48/80/1117974880.db2.gz MJQIEORKZVXCLP-AWEZNQCLSA-N 0 1 285.391 3.622 20 0 CHADMN CC[C@H](NCc1c(C(F)(F)F)cnn1C)c1ccccc1 ZINC000624051658 1117976170 /nfs/dbraw/zinc/97/61/70/1117976170.db2.gz JHLWBIFWUAPONE-ZDUSSCGKSA-N 0 1 297.324 3.680 20 0 CHADMN C[C@H]([NH2+][C@@H]1CC=CCC1)c1cc(Br)ccc1[O-] ZINC000186056724 1117979257 /nfs/dbraw/zinc/97/92/57/1117979257.db2.gz UQHUNWQPNNHGAC-CMPLNLGQSA-N 0 1 296.208 3.914 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2CC(C)=C[C@H](C)C2)cc1C ZINC000430276922 1117983456 /nfs/dbraw/zinc/98/34/56/1117983456.db2.gz DQSDWWYGFDRSDH-LRDDRELGSA-N 0 1 286.419 3.528 20 0 CHADMN CCO[C@H]1C[C@@H]1NC(c1ccccc1)c1ccccc1 ZINC000579433476 1128748120 /nfs/dbraw/zinc/74/81/20/1128748120.db2.gz AVNVRACHUVSWCP-IRXDYDNUSA-N 0 1 267.372 3.543 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@@H](C)N1CC(C)=C[C@@H](C)C1 ZINC000430281038 1117990346 /nfs/dbraw/zinc/99/03/46/1117990346.db2.gz QZYWAUXBMOIUFR-MLGOLLRUSA-N 0 1 286.419 3.528 20 0 CHADMN CCCOc1ncccc1CN[C@@H](C)c1cccs1 ZINC000154694050 1117990481 /nfs/dbraw/zinc/99/04/81/1117990481.db2.gz ARKILFFRBFQSKU-LBPRGKRZSA-N 0 1 276.405 3.783 20 0 CHADMN Cc1ncccc1CN[C@@H](C)c1ccc(C(F)F)nc1 ZINC000624164358 1117991663 /nfs/dbraw/zinc/99/16/63/1117991663.db2.gz HRRCKHCWNZKUMD-NSHDSACASA-N 0 1 277.318 3.573 20 0 CHADMN CCc1nnc(CN[C@@H](C)CCc2cccc(C)c2)s1 ZINC000353581445 1117995210 /nfs/dbraw/zinc/99/52/10/1117995210.db2.gz ZBQFYQCCXYNUBZ-ZDUSSCGKSA-N 0 1 289.448 3.520 20 0 CHADMN C[N@@H+](Cc1ccccc1)Cc1cc2ccccc2cn1 ZINC001139995207 1117999946 /nfs/dbraw/zinc/99/99/46/1117999946.db2.gz YTTUMYHJCKWNAX-UHFFFAOYSA-N 0 1 262.356 3.867 20 0 CHADMN CN(Cc1ccccc1)Cc1cc2ccccc2cn1 ZINC001139995207 1117999949 /nfs/dbraw/zinc/99/99/49/1117999949.db2.gz YTTUMYHJCKWNAX-UHFFFAOYSA-N 0 1 262.356 3.867 20 0 CHADMN CCc1nc(CN(CC)[C@H](C)c2cc3ccccc3o2)n[nH]1 ZINC000181656165 1118003109 /nfs/dbraw/zinc/00/31/09/1118003109.db2.gz BBZGDJOKBSQABL-GFCCVEGCSA-N 0 1 298.390 3.696 20 0 CHADMN CC(C)c1cnc(CN2C[C@H](C)C[C@H](C)C2)s1 ZINC000182938622 1118033775 /nfs/dbraw/zinc/03/37/75/1118033775.db2.gz ZDYWNZSRLQENAB-TXEJJXNPSA-N 0 1 252.427 3.744 20 0 CHADMN CC[C@H](NCc1ccccc1N(C)C)c1c(C)noc1C ZINC000182407560 1118021827 /nfs/dbraw/zinc/02/18/27/1118021827.db2.gz CHJGRJBEFKMXPR-HNNXBMFYSA-N 0 1 287.407 3.598 20 0 CHADMN FC[C@H]1CCC[N@@H+](CCc2ccccc2C(F)(F)F)C1 ZINC001209282760 1118023825 /nfs/dbraw/zinc/02/38/25/1118023825.db2.gz JEKXTZVYYPIVEY-GFCCVEGCSA-N 0 1 289.316 3.929 20 0 CHADMN C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1cscn1 ZINC000579509295 1128751004 /nfs/dbraw/zinc/75/10/04/1128751004.db2.gz FCDDFKJKJSNCNQ-VXGBXAGGSA-N 0 1 252.427 3.790 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@H](C)C2CCCCC2)n1 ZINC000182945330 1118033898 /nfs/dbraw/zinc/03/38/98/1118033898.db2.gz KOSWVQZGSXTKTA-VXGBXAGGSA-N 0 1 297.468 3.942 20 0 CHADMN CC(C)[C@H](NCc1ccc[nH]c1=O)c1cc(F)ccc1F ZINC000624259608 1118033991 /nfs/dbraw/zinc/03/39/91/1118033991.db2.gz RBOQFPHIJHOAER-HNNXBMFYSA-N 0 1 292.329 3.552 20 0 CHADMN CC(C)c1cnc(CN(C)CCC2CCOCC2)s1 ZINC000183091444 1118038189 /nfs/dbraw/zinc/03/81/89/1118038189.db2.gz XPSUOUFTGQELRI-UHFFFAOYSA-N 0 1 282.453 3.515 20 0 CHADMN CC[C@H](C)NC(=O)CN[C@@H](c1ccccc1Cl)C(C)C ZINC000183698491 1118047667 /nfs/dbraw/zinc/04/76/67/1118047667.db2.gz SNGMGMDXCQCDFD-BLLLJJGKSA-N 0 1 296.842 3.541 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1nnc(-c2ccccc2)n1C ZINC000185851831 1118047937 /nfs/dbraw/zinc/04/79/37/1118047937.db2.gz VSWOGPVVUSUOBN-MRXNPFEDSA-N 0 1 298.434 3.637 20 0 CHADMN C[C@H](c1cccnc1)N(C)C/C=C/c1ccccc1 ZINC000183727164 1118049137 /nfs/dbraw/zinc/04/91/37/1118049137.db2.gz CAIXJUWFLPEDOL-JOZWUWCOSA-N 0 1 252.361 3.788 20 0 CHADMN Clc1ccc(CNCc2ccc3c(n2)CCC3)s1 ZINC000579563862 1128752394 /nfs/dbraw/zinc/75/23/94/1128752394.db2.gz YYGYXCCCGRBLKQ-UHFFFAOYSA-N 0 1 278.808 3.575 20 0 CHADMN CCOc1cc(CN(C)Cc2ccsc2)ccc1OC ZINC000120468774 1118050525 /nfs/dbraw/zinc/05/05/25/1118050525.db2.gz AYKCBRUFMYWTRQ-UHFFFAOYSA-N 0 1 291.416 3.787 20 0 CHADMN CCN(Cc1coc(-c2ccc(C)cc2)n1)C1CC1 ZINC000046058955 1118053896 /nfs/dbraw/zinc/05/38/96/1118053896.db2.gz XAMOXJBAYKZGKL-UHFFFAOYSA-N 0 1 256.349 3.634 20 0 CHADMN Cc1cncc([C@H](C)NCc2cc3ccccc3o2)c1 ZINC000184293521 1118053977 /nfs/dbraw/zinc/05/39/77/1118053977.db2.gz KQSMJXHBAQZMTJ-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN CC(C)N(C(=O)CN1CCC[C@@H]1c1ccsc1)C(C)C ZINC000046088713 1118055501 /nfs/dbraw/zinc/05/55/01/1118055501.db2.gz DOAWKILLYZNEFS-OAHLLOKOSA-N 0 1 294.464 3.530 20 0 CHADMN Cc1cc(C)cc(CNCc2ccc(F)cc2F)c1 ZINC000050198579 1118057715 /nfs/dbraw/zinc/05/77/15/1118057715.db2.gz ABFZUWKJXYFSDW-UHFFFAOYSA-N 0 1 261.315 3.871 20 0 CHADMN Cc1cnc([C@H](C)NCCOc2cc(C)ccc2C)s1 ZINC000184991272 1118058901 /nfs/dbraw/zinc/05/89/01/1118058901.db2.gz IDHMPSPHTSNYBV-AWEZNQCLSA-N 0 1 290.432 3.798 20 0 CHADMN CCc1cccc(OCCN[C@@H](C)c2ncc(C)s2)c1 ZINC000184990031 1118059149 /nfs/dbraw/zinc/05/91/49/1118059149.db2.gz GVRXBZGEXRUXEW-ZDUSSCGKSA-N 0 1 290.432 3.744 20 0 CHADMN Cc1oncc1CN(Cc1ccco1)C1CCCC1 ZINC000185190648 1118060853 /nfs/dbraw/zinc/06/08/53/1118060853.db2.gz FQLRBYMZPGKKLZ-UHFFFAOYSA-N 0 1 260.337 3.521 20 0 CHADMN Cc1ccc(C)c(C[N@H+](C)Cc2n[nH]c3ccccc32)c1 ZINC000683355393 1118066145 /nfs/dbraw/zinc/06/61/45/1118066145.db2.gz VRSNMDWSHFMNIO-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN Cc1ccc(C)c(C[N@@H+](C)Cc2n[nH]c3ccccc32)c1 ZINC000683355393 1118066149 /nfs/dbraw/zinc/06/61/49/1118066149.db2.gz VRSNMDWSHFMNIO-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2n[nH]c3ccccc32)c1 ZINC000683355393 1118066153 /nfs/dbraw/zinc/06/61/53/1118066153.db2.gz VRSNMDWSHFMNIO-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C ZINC000185853240 1118072442 /nfs/dbraw/zinc/07/24/42/1118072442.db2.gz IDIUFFGZLMVNCM-OAHLLOKOSA-N 0 1 274.408 3.588 20 0 CHADMN Cc1ccc2[nH]cc(C[N@H+](C)Cc3cccnc3C)c2c1 ZINC001209498194 1118073252 /nfs/dbraw/zinc/07/32/52/1118073252.db2.gz BAPITAOQYVZKPF-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN CCN(Cc1nc(CCC(C)C)no1)[C@H](C)C(C)C ZINC000065298996 1118078475 /nfs/dbraw/zinc/07/84/75/1118078475.db2.gz ODHZMAWLEQMTJL-CYBMUJFWSA-N 0 1 267.417 3.525 20 0 CHADMN CCN(C(=O)c1cc(C)cc2c[nH]nc21)[C@@H]1CCCC[C@@H]1C ZINC000340134379 1118079005 /nfs/dbraw/zinc/07/90/05/1118079005.db2.gz ZCRCHEWRSPKVMD-XJKSGUPXSA-N 0 1 299.418 3.912 20 0 CHADMN C[C@@H](c1nc(Cc2ccccc2)no1)N1CCCCCCC1 ZINC000741772811 1118079206 /nfs/dbraw/zinc/07/92/06/1118079206.db2.gz AWILHPDQGSGVHB-HNNXBMFYSA-N 0 1 299.418 3.988 20 0 CHADMN Cc1ccc(CNCc2cnccc2C)c(Cl)c1 ZINC000235894574 1118080100 /nfs/dbraw/zinc/08/01/00/1118080100.db2.gz QYJOEHRUMMYSLK-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN COc1cccc(CN(Cc2ccco2)C(C)C)c1 ZINC000340140702 1118081234 /nfs/dbraw/zinc/08/12/34/1118081234.db2.gz SZXQWGULHWVCNF-UHFFFAOYSA-N 0 1 259.349 3.699 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(C/C=C/Cl)[C@H]2C ZINC000782096887 1118081791 /nfs/dbraw/zinc/08/17/91/1118081791.db2.gz GWAUGHQFQXZRJT-XTPCBIOYSA-N 0 1 265.784 3.755 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@@]3(C2)CCCCO3)c1Cl ZINC001238778543 1118082194 /nfs/dbraw/zinc/08/21/94/1118082194.db2.gz ZVYBWAKHUYGDFL-MRXNPFEDSA-N 0 1 297.801 3.933 20 0 CHADMN Fc1cc(Cl)cc(Br)c1N=C1CCOC1 ZINC001203389371 1118083866 /nfs/dbraw/zinc/08/38/66/1118083866.db2.gz WVYCBRGYGSKBGS-UHFFFAOYSA-N 0 1 292.535 3.568 20 0 CHADMN COc1c(F)ccc(Nc2nnc(C(C)(C)C)o2)c1Cl ZINC001209800886 1118092329 /nfs/dbraw/zinc/09/23/29/1118092329.db2.gz WYFFVHDPPPJQEQ-UHFFFAOYSA-N 0 1 299.733 3.912 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1Cl ZINC000652366852 1118094635 /nfs/dbraw/zinc/09/46/35/1118094635.db2.gz VHKIFLQPOAWPBT-CYBMUJFWSA-N 0 1 281.783 3.803 20 0 CHADMN CCCOc1ccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)cc1 ZINC000579895790 1118094856 /nfs/dbraw/zinc/09/48/56/1118094856.db2.gz OLXIVZSTXHUIJW-CYBMUJFWSA-N 0 1 283.362 3.953 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N1CCCO[C@@H](C)C1 ZINC000340181490 1118103106 /nfs/dbraw/zinc/10/31/06/1118103106.db2.gz SZKANLMAKYDOMC-NWDGAFQWSA-N 0 1 253.773 3.512 20 0 CHADMN CC(C)C[C@@H]1CCC[C@@H](N[C@@H](C)c2csnn2)C1 ZINC000398251203 1118107496 /nfs/dbraw/zinc/10/74/96/1118107496.db2.gz ACSLJRUHLSMRJX-RWMBFGLXSA-N 0 1 267.442 3.794 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1Cc1ccc(Br)o1 ZINC000306944085 1118113306 /nfs/dbraw/zinc/11/33/06/1118113306.db2.gz JIARLWFBUJFDPS-NXEZZACHSA-N 0 1 272.186 3.663 20 0 CHADMN c1cn2cc(C[N@H+]3CCCC34CCCCC4)nc2s1 ZINC000340232174 1118117757 /nfs/dbraw/zinc/11/77/57/1118117757.db2.gz WBKNTGQEZNMOMM-UHFFFAOYSA-N 0 1 275.421 3.695 20 0 CHADMN Cc1ncc(C[N@H+]2Cc3ccccc3C(C)(C)C2)s1 ZINC000340231600 1118118261 /nfs/dbraw/zinc/11/82/61/1118118261.db2.gz RSLMHPJEZCGNNE-UHFFFAOYSA-N 0 1 272.417 3.745 20 0 CHADMN Cc1ncc(CN2Cc3ccccc3C(C)(C)C2)s1 ZINC000340231600 1118118262 /nfs/dbraw/zinc/11/82/62/1118118262.db2.gz RSLMHPJEZCGNNE-UHFFFAOYSA-N 0 1 272.417 3.745 20 0 CHADMN C[C@@H](NCc1nccn1C)c1ccc(F)c2ccccc21 ZINC000340238317 1118120077 /nfs/dbraw/zinc/12/00/77/1118120077.db2.gz DXDBIKJKHOSISS-GFCCVEGCSA-N 0 1 283.350 3.563 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(-c2ccccc2)cn1 ZINC001209962221 1118120603 /nfs/dbraw/zinc/12/06/03/1118120603.db2.gz SUMGCSCRUJEJFE-UHFFFAOYSA-N 0 1 276.343 3.778 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccoc2)ccc1OC(C)C ZINC000764859899 1118122036 /nfs/dbraw/zinc/12/20/36/1118122036.db2.gz OCDNQZCWJNYDJQ-ZDUSSCGKSA-N 0 1 289.375 3.926 20 0 CHADMN CCC[C@H]1CCCCN1Cc1nc(Cc2ccccc2)no1 ZINC000185861294 1118127259 /nfs/dbraw/zinc/12/72/59/1118127259.db2.gz AWEIYYSZRYAUDU-INIZCTEOSA-N 0 1 299.418 3.815 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(C(F)F)nc1 ZINC000639121115 1118128111 /nfs/dbraw/zinc/12/81/11/1118128111.db2.gz NAXGKOCRLOIBEF-WCBMZHEXSA-N 0 1 294.267 3.792 20 0 CHADMN COc1ccc([C@@H]2CCCCCN2Cc2ccn(C)n2)cc1 ZINC000340281838 1118130764 /nfs/dbraw/zinc/13/07/64/1118130764.db2.gz DXZICCQPOGALNJ-SFHVURJKSA-N 0 1 299.418 3.546 20 0 CHADMN FC1(F)CC[C@@H](C[N@H+]2CCc3sccc3C2)C1 ZINC000340290345 1118134315 /nfs/dbraw/zinc/13/43/15/1118134315.db2.gz YSHWOQKMISAWOV-SNVBAGLBSA-N 0 1 257.349 3.542 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1ccc(Cl)nc1 ZINC000765124927 1118136168 /nfs/dbraw/zinc/13/61/68/1118136168.db2.gz BWGDMGLAXKQVQY-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@H](NCCCc1ccccc1Cl)c1ccon1 ZINC000542647861 1118137274 /nfs/dbraw/zinc/13/72/74/1118137274.db2.gz LEZFXDAAOLSPHI-NSHDSACASA-N 0 1 264.756 3.611 20 0 CHADMN Cc1ccc([C@H](O)CN[C@H](C)c2c(F)cccc2F)cc1 ZINC000765272273 1118141455 /nfs/dbraw/zinc/14/14/55/1118141455.db2.gz QONPLQKFSXVAMG-MLGOLLRUSA-N 0 1 291.341 3.657 20 0 CHADMN Cc1ccc(NC(=O)CN(C)[C@H](C)c2ccccc2C)cc1 ZINC000530626463 1118147897 /nfs/dbraw/zinc/14/78/97/1118147897.db2.gz JJKFABJJTQEMKY-MRXNPFEDSA-N 0 1 296.414 3.935 20 0 CHADMN C[C@H](CCc1ccco1)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000237532399 1118150657 /nfs/dbraw/zinc/15/06/57/1118150657.db2.gz ZJNCQZNTXFXMLO-NEPJUHHUSA-N 0 1 291.395 3.632 20 0 CHADMN CC[C@@H](NCc1cnn(C2CCC2)c1)c1ccccc1OC ZINC000921525576 1118157739 /nfs/dbraw/zinc/15/77/39/1118157739.db2.gz UMMNDMMXEXMFQY-QGZVFWFLSA-N 0 1 299.418 3.858 20 0 CHADMN Fc1ccccc1-c1nc(C[N@H+]2CC[C@H](C3CC3)C2)co1 ZINC000625278718 1118171906 /nfs/dbraw/zinc/17/19/06/1118171906.db2.gz VYLCUGMJODUMIO-ZDUSSCGKSA-N 0 1 286.350 3.713 20 0 CHADMN CCCCc1nc2ccc(NC(=O)/C=C/SC)cc2[nH]1 ZINC000083600905 1118176471 /nfs/dbraw/zinc/17/64/71/1118176471.db2.gz KFCQAZWKVGOGCS-CMDGGOBGSA-N 0 1 289.404 3.721 20 0 CHADMN CS/C=C/C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000083601328 1118177340 /nfs/dbraw/zinc/17/73/40/1118177340.db2.gz LAPOSIXYRBEFJN-BQYQJAHWSA-N 0 1 287.388 3.646 20 0 CHADMN CC[C@@H]1CCCCN1CC(=O)Nc1c(C)cc(C)cc1C ZINC000023991278 1118180454 /nfs/dbraw/zinc/18/04/54/1118180454.db2.gz MPCUKXNKXCBLFE-MRXNPFEDSA-N 0 1 288.435 3.815 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(Cc2cccc(C)c2)no1 ZINC000386632389 1118182213 /nfs/dbraw/zinc/18/22/13/1118182213.db2.gz GPZPDQKDWZCSPZ-AWEZNQCLSA-N 0 1 287.407 3.666 20 0 CHADMN CC(C)[C@H](N[C@@H]1CCCn2ccnc21)c1ccccc1 ZINC000655695372 1118186548 /nfs/dbraw/zinc/18/65/48/1118186548.db2.gz KPFMXVGWRUWKCW-CVEARBPZSA-N 0 1 269.392 3.705 20 0 CHADMN CC[N@@H+](Cc1ccoc1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001167294765 1118186662 /nfs/dbraw/zinc/18/66/62/1118186662.db2.gz WJPFBYKBLULEGH-CVEARBPZSA-N 0 1 259.324 3.797 20 0 CHADMN CC[N@@H+](Cc1ccoc1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001167294778 1118186749 /nfs/dbraw/zinc/18/67/49/1118186749.db2.gz WJPFBYKBLULEGH-HZPDHXFCSA-N 0 1 259.324 3.797 20 0 CHADMN CCc1nc([C@H](C)N[C@H]2CC[C@H](C)SC2)cs1 ZINC000655712062 1118189778 /nfs/dbraw/zinc/18/97/78/1118189778.db2.gz OBCBSRNPFMLBLJ-DCAQKATOSA-N 0 1 270.467 3.640 20 0 CHADMN Fc1ccc([C@@H](N[C@@H]2CCCn3ccnc32)C2CCC2)cc1 ZINC000655708974 1118190396 /nfs/dbraw/zinc/19/03/96/1118190396.db2.gz QUDCQUOKRMRRLS-SJORKVTESA-N 0 1 299.393 3.988 20 0 CHADMN Cc1cccc([C@@H](C)N[C@H]2CCCn3ccnc32)c1C ZINC000655714678 1118191930 /nfs/dbraw/zinc/19/19/30/1118191930.db2.gz CRIMLHIJZHNENX-ZBFHGGJFSA-N 0 1 269.392 3.686 20 0 CHADMN Cc1cc2c(c(C)c1)[C@@H](NCc1ccc(F)cn1)CC2 ZINC000655723527 1118193898 /nfs/dbraw/zinc/19/38/98/1118193898.db2.gz LDRLNWBVKPJYES-INIZCTEOSA-N 0 1 270.351 3.615 20 0 CHADMN C[C@@H](NCc1cccc2c1OCC2)c1cccs1 ZINC000693089898 1118195372 /nfs/dbraw/zinc/19/53/72/1118195372.db2.gz DOTLWAZIYAGSBE-LLVKDONJSA-N 0 1 259.374 3.534 20 0 CHADMN C[C@@H]1CCN(Cc2cc3ccccc3s2)CCC1=O ZINC001137681393 1118198039 /nfs/dbraw/zinc/19/80/39/1118198039.db2.gz UXTXWZCTMZHOCL-GFCCVEGCSA-N 0 1 273.401 3.702 20 0 CHADMN Cc1ccoc1CN[C@H]1CCc2cc(C)cc(C)c21 ZINC000655769068 1118204598 /nfs/dbraw/zinc/20/45/98/1118204598.db2.gz CWKAWLFJIWGWML-HNNXBMFYSA-N 0 1 255.361 3.982 20 0 CHADMN c1cc(CN[C@@H]2CSCc3ccccc32)n(C2CCC2)n1 ZINC000921612031 1118204925 /nfs/dbraw/zinc/20/49/25/1118204925.db2.gz JHWRQXZHDRTXPE-QGZVFWFLSA-N 0 1 299.443 3.686 20 0 CHADMN Cc1cc(CN[C@H](c2cccc(F)c2)C(C)(C)C)n(C)n1 ZINC000417895176 1118207380 /nfs/dbraw/zinc/20/73/80/1118207380.db2.gz PHRGMDSTZAOHQU-MRXNPFEDSA-N 0 1 289.398 3.745 20 0 CHADMN CC[C@@H]1CCCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)C1 ZINC000027153095 1118210749 /nfs/dbraw/zinc/21/07/49/1118210749.db2.gz PXQRGIOFXFONBE-CQSZACIVSA-N 0 1 297.402 3.647 20 0 CHADMN Cc1oc(C(C)C)cc1C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615794852 1128763100 /nfs/dbraw/zinc/76/31/00/1128763100.db2.gz SLQHSQHSPAZIHE-UHFFFAOYSA-N 0 1 297.358 3.518 20 0 CHADMN CC(C)c1ccc(N(C)C(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000188804075 1128765406 /nfs/dbraw/zinc/76/54/06/1128765406.db2.gz LJWVLKGKLKYVRL-UHFFFAOYSA-N 0 1 294.354 3.664 20 0 CHADMN COc1ccc([C@H](C)NCc2cccc(C)c2OC)cc1 ZINC000655810632 1118220265 /nfs/dbraw/zinc/22/02/65/1118220265.db2.gz NIXUFAWTXYYWLR-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN CC(C)(C)c1nc(CNC2(C)CC=CC2)cs1 ZINC000655813912 1118222077 /nfs/dbraw/zinc/22/20/77/1118222077.db2.gz DMZQHJSGFWQMFP-UHFFFAOYSA-N 0 1 250.411 3.639 20 0 CHADMN CC(C)Cn1ccnc1NCc1ccc2cnccc2c1 ZINC000671673440 1118223460 /nfs/dbraw/zinc/22/34/60/1118223460.db2.gz ROVQKBOJUFNKMQ-UHFFFAOYSA-N 0 1 280.375 3.699 20 0 CHADMN CCOc1ccc(CNCc2cccc(C)c2OC)cc1 ZINC000655831332 1118227168 /nfs/dbraw/zinc/22/71/68/1118227168.db2.gz HLQDZNKKDWDZJL-UHFFFAOYSA-N 0 1 285.387 3.692 20 0 CHADMN O=C(CC1CCCCCC1)NCc1ccc2nc[nH]c2c1 ZINC000615790432 1128763908 /nfs/dbraw/zinc/76/39/08/1128763908.db2.gz UVDOQPKCHFOXJD-UHFFFAOYSA-N 0 1 285.391 3.540 20 0 CHADMN NC1(c2noc(CCCC3CCCCC3)n2)CCCC1 ZINC000579956516 1118235137 /nfs/dbraw/zinc/23/51/37/1118235137.db2.gz JHQRRLMHIDPAJZ-UHFFFAOYSA-N 0 1 277.412 3.701 20 0 CHADMN CCC(CC)CN1CCO[C@H](c2cccc(F)c2)C1 ZINC000409445897 1118246695 /nfs/dbraw/zinc/24/66/95/1118246695.db2.gz QVDBMRNFMZORDQ-INIZCTEOSA-N 0 1 265.372 3.635 20 0 CHADMN O=C([O-])[C@H](CC[N@H+]1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000579961897 1118246807 /nfs/dbraw/zinc/24/68/07/1118246807.db2.gz QTSAJKUQODZCTF-HZPDHXFCSA-N 0 1 299.370 3.675 20 0 CHADMN COc1cc(NCc2[nH]ncc2C)c(C2CC2)cc1Cl ZINC000655863417 1118248692 /nfs/dbraw/zinc/24/86/92/1118248692.db2.gz PUYGMCQTEWTGKA-UHFFFAOYSA-N 0 1 291.782 3.870 20 0 CHADMN CCCOc1ccccc1NC(=O)c1cccc2cn[nH]c21 ZINC000043976365 1118249189 /nfs/dbraw/zinc/24/91/89/1118249189.db2.gz OQJYVGWANUQLCU-UHFFFAOYSA-N 0 1 295.342 3.604 20 0 CHADMN C[C@H](NCc1ccc2c(c1)OC(F)(F)O2)c1ccsc1 ZINC000671692787 1118252273 /nfs/dbraw/zinc/25/22/73/1118252273.db2.gz FCAFYCLWISOHGW-VIFPVBQESA-N 0 1 297.326 3.920 20 0 CHADMN CN(CCC(F)(F)F)Cc1cccc(Cl)c1 ZINC000057594936 1118282438 /nfs/dbraw/zinc/28/24/38/1118282438.db2.gz KPRUUDHDRGRANQ-UHFFFAOYSA-N 0 1 251.679 3.724 20 0 CHADMN FC(F)n1ccnc1CN(CC1CCCCC1)C1CC1 ZINC000045809322 1118258177 /nfs/dbraw/zinc/25/81/77/1118258177.db2.gz DGSUJJOAOWYCRJ-UHFFFAOYSA-N 0 1 283.366 3.823 20 0 CHADMN C[C@H](NCc1coc2ccccc12)c1ccc(F)cn1 ZINC000340448750 1118258688 /nfs/dbraw/zinc/25/86/88/1118258688.db2.gz JZDYJIMQJQQDNU-NSHDSACASA-N 0 1 270.307 3.818 20 0 CHADMN Oc1cccc2c1CC[C@H]2NCc1cc2ccccc2o1 ZINC000105487123 1118259437 /nfs/dbraw/zinc/25/94/37/1118259437.db2.gz QRGWVAANDZXEQY-MRXNPFEDSA-N 0 1 279.339 3.916 20 0 CHADMN O=C(c1ccc(Cl)c(O)c1)N1CCC[C@H](C2CCC2)C1 ZINC001167314788 1118266367 /nfs/dbraw/zinc/26/63/67/1118266367.db2.gz NLEZETPTIMVAOM-ZDUSSCGKSA-N 0 1 293.794 3.698 20 0 CHADMN C[C@@H](NCc1ccc(F)nc1)c1ccc(OC(F)F)cc1 ZINC000188977332 1128766611 /nfs/dbraw/zinc/76/66/11/1128766611.db2.gz KVUDKKWJWGKNQL-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN COc1cccc([C@H](C)NCc2cc3cnccc3o2)c1 ZINC001648882243 1118270170 /nfs/dbraw/zinc/27/01/70/1118270170.db2.gz CTFNVDKMHUXGLE-LBPRGKRZSA-N 0 1 282.343 3.687 20 0 CHADMN C[C@@H](F)CCN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000340466587 1118271722 /nfs/dbraw/zinc/27/17/22/1118271722.db2.gz ZZSHKJCAKUWIGC-RQJHMYQMSA-N 0 1 270.295 3.561 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@@H]2CC2CCCC2)c1 ZINC000655936795 1118273618 /nfs/dbraw/zinc/27/36/18/1118273618.db2.gz PEJHJWDBQHVSIM-QGZVFWFLSA-N 0 1 287.403 3.930 20 0 CHADMN Fc1cccc(C2(CNCc3ccon3)CCCCC2)c1 ZINC001648906868 1118275220 /nfs/dbraw/zinc/27/52/20/1118275220.db2.gz SYWKXSIKOHMZGI-UHFFFAOYSA-N 0 1 288.366 3.805 20 0 CHADMN CC(C)Cc1noc(CN[C@@H]2CCCC[C@@H]2C(C)(C)C)n1 ZINC000107507658 1118281798 /nfs/dbraw/zinc/28/17/98/1118281798.db2.gz CXYISJONPWGTHT-UONOGXRCSA-N 0 1 293.455 3.963 20 0 CHADMN CC(C)c1ccc(CN(C)Cc2cccnc2)cc1 ZINC000058340306 1118287289 /nfs/dbraw/zinc/28/72/89/1118287289.db2.gz DXPCTHYRWWRYCG-UHFFFAOYSA-N 0 1 254.377 3.837 20 0 CHADMN C[C@@H]1CC(C)(C)C[C@@H]1Nc1cnn(-c2ccncc2)c1 ZINC000683692605 1118288571 /nfs/dbraw/zinc/28/85/71/1118288571.db2.gz JIBDRMKXNLEHGA-DOMZBBRYSA-N 0 1 270.380 3.504 20 0 CHADMN Cc1nc(CN([C@H](C)C2CC2)C2CC2)nc2ccccc12 ZINC000107896338 1118294333 /nfs/dbraw/zinc/29/43/33/1118294333.db2.gz UOGOEHZTEKZPAP-CYBMUJFWSA-N 0 1 281.403 3.701 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000234102859 1118294648 /nfs/dbraw/zinc/29/46/48/1118294648.db2.gz ACWGXZKEWKYHSL-SFHVURJKSA-N 0 1 289.419 3.689 20 0 CHADMN CCCCc1nc2ccc(NC(=O)c3ccncc3)cc2[nH]1 ZINC000060063048 1118296535 /nfs/dbraw/zinc/29/65/35/1118296535.db2.gz IEBZDRFTIOTCDJ-UHFFFAOYSA-N 0 1 294.358 3.553 20 0 CHADMN Cc1ccccc1CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000060038994 1118296609 /nfs/dbraw/zinc/29/66/09/1118296609.db2.gz QWVDSUNGCISFHT-SFHVURJKSA-N 0 1 285.387 3.769 20 0 CHADMN CCN(Cc1noc(-c2ccccc2C)n1)C1CCCC1 ZINC000123040527 1118300939 /nfs/dbraw/zinc/30/09/39/1118300939.db2.gz DLVDFLAIVYLIHI-UHFFFAOYSA-N 0 1 285.391 3.810 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1cc2cccc(F)c2o1 ZINC000340499057 1118307663 /nfs/dbraw/zinc/30/76/63/1118307663.db2.gz NMULGZWLOMTVIA-VHSXEESVSA-N 0 1 273.311 3.707 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2CCO[C@H]2c2ccccc2)cs1 ZINC000269393171 1118314394 /nfs/dbraw/zinc/31/43/94/1118314394.db2.gz DJTJIQYMJWGDJM-PEYYIBSZSA-N 0 1 288.416 3.632 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1CCC[C@@H](C)CC1 ZINC000063308464 1118315249 /nfs/dbraw/zinc/31/52/49/1118315249.db2.gz XIWATKCRCZBUNL-GFCCVEGCSA-N 0 1 294.826 3.709 20 0 CHADMN O=C(CN1CCC2(CCC2)CC1)Nc1cccc(Cl)c1 ZINC000671729348 1118315759 /nfs/dbraw/zinc/31/57/59/1118315759.db2.gz DZQNTCABSJQCNL-UHFFFAOYSA-N 0 1 292.810 3.545 20 0 CHADMN CCO[C@H](CCN[C@@H](C)c1cc(C)on1)C1CCCC1 ZINC000340519974 1118316167 /nfs/dbraw/zinc/31/61/67/1118316167.db2.gz SUQFFMLOZFDMHY-XJKSGUPXSA-N 0 1 280.412 3.619 20 0 CHADMN CC[C@H](N[C@@H]1CCC[C@H]1F)c1cc(F)ccc1F ZINC000340525387 1118317507 /nfs/dbraw/zinc/31/75/07/1118317507.db2.gz IVZDPEQDWRDDKS-HZSPNIEDSA-N 0 1 257.299 3.896 20 0 CHADMN CC[C@H](c1ccccc1)N(C)CC(=O)Nc1ccccc1 ZINC000063742562 1118320194 /nfs/dbraw/zinc/32/01/94/1118320194.db2.gz NWNUWAOPVZUDEY-QGZVFWFLSA-N 0 1 282.387 3.708 20 0 CHADMN CN(CC(=O)Nc1cccc2ccccc21)CC1CCCC1 ZINC000064021464 1118322231 /nfs/dbraw/zinc/32/22/31/1118322231.db2.gz SQGQIQVQAITOBE-UHFFFAOYSA-N 0 1 296.414 3.900 20 0 CHADMN CC(C)c1nc(C[N@H+]2CCC3(CCOCC3)[C@H]2C)cs1 ZINC000349271756 1118328610 /nfs/dbraw/zinc/32/86/10/1118328610.db2.gz CCKSGBYUANNMSA-CYBMUJFWSA-N 0 1 294.464 3.658 20 0 CHADMN CC(C)c1nc(CN2CCC3(CCOCC3)[C@H]2C)cs1 ZINC000349271756 1118328612 /nfs/dbraw/zinc/32/86/12/1118328612.db2.gz CCKSGBYUANNMSA-CYBMUJFWSA-N 0 1 294.464 3.658 20 0 CHADMN CC[C@H](C)CCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC001648908176 1118330125 /nfs/dbraw/zinc/33/01/25/1118330125.db2.gz XLMBLANHYAMXSL-QMMMGPOBSA-N 0 1 290.190 3.865 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)CO2 ZINC000090452550 1118333964 /nfs/dbraw/zinc/33/39/64/1118333964.db2.gz JVYZQGUTDBAUGB-KSSFIOAISA-N 0 1 296.414 3.845 20 0 CHADMN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(F)nc1 ZINC000189298243 1128770809 /nfs/dbraw/zinc/77/08/09/1128770809.db2.gz LGIBWTRIAGCLQX-UHFFFAOYSA-N 0 1 283.350 3.503 20 0 CHADMN CCN(Cc1ccc(F)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC000189299755 1128771252 /nfs/dbraw/zinc/77/12/52/1128771252.db2.gz FDPJVQLTYXDSPG-CYBMUJFWSA-N 0 1 283.350 3.675 20 0 CHADMN C[C@@H](NCCOc1ccccc1F)c1c(F)cccc1F ZINC000539227125 1118344467 /nfs/dbraw/zinc/34/44/67/1118344467.db2.gz RAMVKYNVDZYIGF-LLVKDONJSA-N 0 1 295.304 3.834 20 0 CHADMN Cc1occc1CNCc1cnc(-c2ccco2)s1 ZINC000683766809 1118346917 /nfs/dbraw/zinc/34/69/17/1118346917.db2.gz LVPMWTRQDMRMHH-UHFFFAOYSA-N 0 1 274.345 3.594 20 0 CHADMN c1ccc2c(c1)CN(Cc1ccc3c(c1)CCCC3)CCO2 ZINC001204516405 1118351085 /nfs/dbraw/zinc/35/10/85/1118351085.db2.gz UEVMKBQBNWOHLT-UHFFFAOYSA-N 0 1 293.410 3.960 20 0 CHADMN Cc1ccccc1NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000067657304 1118354050 /nfs/dbraw/zinc/35/40/50/1118354050.db2.gz QDZAMQRZJAOQFB-GOSISDBHSA-N 0 1 294.398 3.598 20 0 CHADMN Cc1cccc(C)c1CNCc1ccc(F)cc1F ZINC000083446772 1118354469 /nfs/dbraw/zinc/35/44/69/1118354469.db2.gz PDEBSDBCRXYENW-UHFFFAOYSA-N 0 1 261.315 3.871 20 0 CHADMN COc1cc(C)cc(NCc2[nH]nc3ccccc32)c1C ZINC000683777066 1118357601 /nfs/dbraw/zinc/35/76/01/1118357601.db2.gz MFCDFESCCRTEKV-UHFFFAOYSA-N 0 1 281.359 3.800 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@H](c2nccn2C)C2CC2)c1 ZINC000671766535 1118359525 /nfs/dbraw/zinc/35/95/25/1118359525.db2.gz UFAFIHIBFOTCIO-DYVFJYSZSA-N 0 1 299.418 3.621 20 0 CHADMN CC(C)C[C@@H](C[N@@H+](CC(=O)[O-])C1CCC1)c1ccccc1 ZINC000656101723 1118360080 /nfs/dbraw/zinc/36/00/80/1118360080.db2.gz RZPNJPTZAGIOST-INIZCTEOSA-N 0 1 289.419 3.755 20 0 CHADMN CC(C)c1cc(=O)n(Cc2ccccc2Br)[nH]1 ZINC000116605654 1118361622 /nfs/dbraw/zinc/36/16/22/1118361622.db2.gz AGKFWVMASDLKFT-UHFFFAOYSA-N 0 1 295.180 3.523 20 0 CHADMN O=C(CCC1CCCCCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000654922332 1118363692 /nfs/dbraw/zinc/36/36/92/1118363692.db2.gz WXUXQEFKUFITIZ-OAHLLOKOSA-N 0 1 289.423 3.654 20 0 CHADMN Cc1ccc(SCCN2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000616007708 1128772687 /nfs/dbraw/zinc/77/26/87/1128772687.db2.gz CXYNPWHJWMUDDC-GJZGRUSLSA-N 0 1 279.449 3.505 20 0 CHADMN COc1ccc([C@@H]2CCCCCN2Cc2ccno2)cc1 ZINC000072879211 1118376753 /nfs/dbraw/zinc/37/67/53/1118376753.db2.gz MRYMLMNJTYNJCT-KRWDZBQOSA-N 0 1 286.375 3.801 20 0 CHADMN COc1ccc(CN(CCC(F)(F)F)C2CC2)cc1 ZINC000072979350 1118378173 /nfs/dbraw/zinc/37/81/73/1118378173.db2.gz WKPGAFFTGKDVLE-UHFFFAOYSA-N 0 1 273.298 3.612 20 0 CHADMN COc1cc([C@H](C)NC2(c3cccc(F)c3)CC2)ccn1 ZINC000565517058 1118378762 /nfs/dbraw/zinc/37/87/62/1118378762.db2.gz LJVDPIMZDYUJBC-LBPRGKRZSA-N 0 1 286.350 3.569 20 0 CHADMN Oc1cccc(CNCc2ccccc2N2CCCCC2)c1 ZINC000237983905 1128774057 /nfs/dbraw/zinc/77/40/57/1128774057.db2.gz JMSKDVWPFUKBJN-UHFFFAOYSA-N 0 1 296.414 3.672 20 0 CHADMN CCC(C)=Nc1cc(-c2ccsc2)sc1C(N)=O ZINC001210793384 1118390304 /nfs/dbraw/zinc/39/03/04/1118390304.db2.gz WNBOHYIHTYTAAG-FPYGCLRLSA-N 0 1 278.402 3.911 20 0 CHADMN CC[C@H](CSC)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000186229059 1118394817 /nfs/dbraw/zinc/39/48/17/1118394817.db2.gz SCEGFJJOGQABLV-MWLCHTKSSA-N 0 1 273.829 3.838 20 0 CHADMN CC1(CN2CCc3cccc(Br)c3C2)CC1 ZINC000683829940 1118395522 /nfs/dbraw/zinc/39/55/22/1118395522.db2.gz FKQBKGJFDSEBLX-UHFFFAOYSA-N 0 1 280.209 3.607 20 0 CHADMN Fc1ccc2c(c1)CN(Cc1ccc3cnccc3c1)CC2 ZINC000683830895 1118397528 /nfs/dbraw/zinc/39/75/28/1118397528.db2.gz ZAKNCXHHNPYULX-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000683837543 1118402509 /nfs/dbraw/zinc/40/25/09/1118402509.db2.gz KXUBLDQWQIVIDR-AWEZNQCLSA-N 0 1 277.371 3.823 20 0 CHADMN NC(=O)c1ccccc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210927618 1118424514 /nfs/dbraw/zinc/42/45/14/1118424514.db2.gz OHCMEXQADVKBNR-UHFFFAOYSA-N 0 1 297.141 3.542 20 0 CHADMN C[C@@H](NCc1ccccc1F)c1ccc2c(c1)CCC(=O)N2 ZINC000047828415 1118425338 /nfs/dbraw/zinc/42/53/38/1118425338.db2.gz AMPWANZUGKQKGD-GFCCVEGCSA-N 0 1 298.361 3.561 20 0 CHADMN FC1(F)CCCC[C@@H]1NC1CCN(c2ccccc2)CC1 ZINC000397997990 1118431745 /nfs/dbraw/zinc/43/17/45/1118431745.db2.gz CTRQBOMIFMRVNL-INIZCTEOSA-N 0 1 294.389 3.823 20 0 CHADMN CC[C@H]1c2ccsc2CC[N@@H+]1Cc1oc(C)nc1C ZINC000683899369 1118432617 /nfs/dbraw/zinc/43/26/17/1118432617.db2.gz URQXRYIKFNUWHB-ZDUSSCGKSA-N 0 1 276.405 3.862 20 0 CHADMN CC[C@H]1c2ccsc2CCN1Cc1oc(C)nc1C ZINC000683899369 1118432621 /nfs/dbraw/zinc/43/26/21/1118432621.db2.gz URQXRYIKFNUWHB-ZDUSSCGKSA-N 0 1 276.405 3.862 20 0 CHADMN Cc1nc(C)c(C[N@@H+](Cc2ccco2)C2CCCC2)o1 ZINC000683898482 1118432815 /nfs/dbraw/zinc/43/28/15/1118432815.db2.gz KPNNDAJUTBJCLW-UHFFFAOYSA-N 0 1 274.364 3.829 20 0 CHADMN Cc1nc(C)c(CN(Cc2ccco2)C2CCCC2)o1 ZINC000683898482 1118432816 /nfs/dbraw/zinc/43/28/16/1118432816.db2.gz KPNNDAJUTBJCLW-UHFFFAOYSA-N 0 1 274.364 3.829 20 0 CHADMN Cc1nc(C)c(CN2CC[C@H](C)C[C@H]2c2ccco2)o1 ZINC000683897830 1118433333 /nfs/dbraw/zinc/43/33/33/1118433333.db2.gz GWPBEVJRUFJPCF-FZMZJTMJSA-N 0 1 274.364 3.858 20 0 CHADMN Cc1ccc(Nc2ccc(F)c(Br)c2O)nc1 ZINC001211012222 1118439384 /nfs/dbraw/zinc/43/93/84/1118439384.db2.gz BRHWMDBCPMUOKY-UHFFFAOYSA-N 0 1 297.127 3.741 20 0 CHADMN CCCCC[C@H](NC)c1nc(-c2ccc(F)cc2F)no1 ZINC001212279285 1128777792 /nfs/dbraw/zinc/77/77/92/1128777792.db2.gz NTWADQVCEAZORG-ZDUSSCGKSA-N 0 1 295.333 3.856 20 0 CHADMN C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000086779078 1118444481 /nfs/dbraw/zinc/44/44/81/1118444481.db2.gz KESVSRRKVCXREK-SCLBCKFNSA-N 0 1 289.419 3.842 20 0 CHADMN CCOc1ncccc1CNCc1ccc(Cl)cc1C ZINC000128886072 1118447551 /nfs/dbraw/zinc/44/75/51/1118447551.db2.gz RDXLSROMGSDYQN-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](CCCCCC(=O)[O-])C1 ZINC000565662669 1118458481 /nfs/dbraw/zinc/45/84/81/1118458481.db2.gz IPXRFSRVHNVUCM-HNNXBMFYSA-N 0 1 255.402 3.534 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000263066234 1118463103 /nfs/dbraw/zinc/46/31/03/1118463103.db2.gz OESCYNIFKZXSBW-VXGBXAGGSA-N 0 1 295.448 3.588 20 0 CHADMN COc1cc(C)ccc1Nc1c(C)nc2ccc(F)cn21 ZINC001211114986 1118466150 /nfs/dbraw/zinc/46/61/50/1118466150.db2.gz MQBJRYVVKAZXQY-UHFFFAOYSA-N 0 1 285.322 3.842 20 0 CHADMN C[C@H]1CCC(C)(C)N1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000616178082 1128779392 /nfs/dbraw/zinc/77/93/92/1128779392.db2.gz SYYJFUWJBWVGFX-JTQLQIEISA-N 0 1 289.404 3.541 20 0 CHADMN c1coc([C@@H](NC[C@H]2CCC=CO2)c2ccccc2)c1 ZINC000050268632 1118471101 /nfs/dbraw/zinc/47/11/01/1118471101.db2.gz BHCGVNZJKZRECL-WBVHZDCISA-N 0 1 269.344 3.651 20 0 CHADMN Cc1oncc1CN[C@H](c1cccc(F)c1)C(C)(C)C ZINC000129927491 1118473355 /nfs/dbraw/zinc/47/33/55/1118473355.db2.gz QWXYJSMNHXBVNB-OAHLLOKOSA-N 0 1 276.355 3.999 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H](CO)c2ccsc2)cc1 ZINC000471589024 1118473365 /nfs/dbraw/zinc/47/33/65/1118473365.db2.gz ZFQZLWSNQBZPQR-MLGOLLRUSA-N 0 1 275.417 3.695 20 0 CHADMN CC(C)(C)c1ccc(CCN2CC3(CC3(F)F)C2)cc1 ZINC000656265658 1118486824 /nfs/dbraw/zinc/48/68/24/1118486824.db2.gz URTLUVOEDFKZHV-UHFFFAOYSA-N 0 1 279.374 3.868 20 0 CHADMN Cn1cncc1Nc1cccc(F)c1OC1CCCC1 ZINC001211252199 1118488332 /nfs/dbraw/zinc/48/83/32/1118488332.db2.gz FGQZHWPKJCCBOR-UHFFFAOYSA-N 0 1 275.327 3.624 20 0 CHADMN c1c[nH]c([C@H]2CCCN2Cc2cc3ccccc3[nH]2)c1 ZINC000684019177 1118488831 /nfs/dbraw/zinc/48/88/31/1118488831.db2.gz NCOMJBCVLMYTKB-QGZVFWFLSA-N 0 1 265.360 3.833 20 0 CHADMN c1cc([C@@H]2CCCN2Cc2ccc3c(n2)CCC3)cs1 ZINC000580759789 1118501627 /nfs/dbraw/zinc/50/16/27/1118501627.db2.gz PZZWCTDRLAUKRL-KRWDZBQOSA-N 0 1 284.428 3.969 20 0 CHADMN Fc1cccc2c1SCC[C@H]2N[C@@H]1CCC[C@@H]1F ZINC000556256206 1118503685 /nfs/dbraw/zinc/50/36/85/1118503685.db2.gz IGSCAPMNPVBPGX-CYZMBNFOSA-N 0 1 269.360 3.843 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@@H](C)N1C[C@@H]2CCCC[C@@H]21 ZINC000660928193 1118507112 /nfs/dbraw/zinc/50/71/12/1118507112.db2.gz LECOFBOWIVYJLX-PMPSAXMXSA-N 0 1 286.419 3.505 20 0 CHADMN Cc1ccccc1[C@H]1CN(CC2=CCCC2)[C@@H](C)CO1 ZINC001167437070 1118515164 /nfs/dbraw/zinc/51/51/64/1118515164.db2.gz BWVCZCXHOAXROL-MAUKXSAKSA-N 0 1 271.404 3.867 20 0 CHADMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000238068798 1128782857 /nfs/dbraw/zinc/78/28/57/1128782857.db2.gz CTBMPDXKTSEEIM-CZUORRHYSA-N 0 1 287.790 3.939 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@H](c1ccccc1)[C@@H](C)O ZINC000658364083 1118518892 /nfs/dbraw/zinc/51/88/92/1118518892.db2.gz ZKBUIJHZSWSNHU-KHYOSLBOSA-N 0 1 299.414 3.858 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H](C)c2ccc3c(c2)OCO3)o1 ZINC000127339625 1118519047 /nfs/dbraw/zinc/51/90/47/1118519047.db2.gz FGCISQIBNYIYNE-VXGBXAGGSA-N 0 1 287.359 3.983 20 0 CHADMN CCCN(CC)Cc1ncc(-c2ccccc2C)o1 ZINC000580931249 1118524259 /nfs/dbraw/zinc/52/42/59/1118524259.db2.gz GLCHLYOFMOIQJP-UHFFFAOYSA-N 0 1 258.365 3.882 20 0 CHADMN Fc1cc(Nc2ncc(Cl)nc2Cl)cc2n[nH]cc21 ZINC001215553481 1118525978 /nfs/dbraw/zinc/52/59/78/1118525978.db2.gz YKBTULGQQFBBLD-UHFFFAOYSA-N 0 1 298.108 3.542 20 0 CHADMN C[C@@H](N[C@H]1CCCOC1)c1cc(F)c(Cl)cc1Cl ZINC000109545461 1118530801 /nfs/dbraw/zinc/53/08/01/1118530801.db2.gz SOOCDJVGBOYJEW-BDAKNGLRSA-N 0 1 292.181 3.962 20 0 CHADMN Cc1ccc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1F ZINC000580994269 1118532322 /nfs/dbraw/zinc/53/23/22/1118532322.db2.gz KONGLQKPICJATQ-HOTGVXAUSA-N 0 1 277.383 3.524 20 0 CHADMN CCC[C@@H]1CCCN(Cc2c(Cl)n[nH]c2CC)C1 ZINC001204551448 1118539249 /nfs/dbraw/zinc/53/92/49/1118539249.db2.gz KLXBINYXYXLJDL-LLVKDONJSA-N 0 1 269.820 3.638 20 0 CHADMN CCCc1noc(CN2CCC[C@H](c3ccccc3)CC2)n1 ZINC000066897907 1118552327 /nfs/dbraw/zinc/55/23/27/1118552327.db2.gz RNZKOQURKDTPNN-INIZCTEOSA-N 0 1 299.418 3.792 20 0 CHADMN CC(C)OCCCSc1nnc(CCC2CCCC2)[nH]1 ZINC000126359635 1118554577 /nfs/dbraw/zinc/55/45/77/1118554577.db2.gz QWUFNBJRORWIJZ-UHFFFAOYSA-N 0 1 297.468 3.835 20 0 CHADMN CC(C)OCCCSc1nc(CCC2CCCC2)n[nH]1 ZINC000126359635 1118554580 /nfs/dbraw/zinc/55/45/80/1118554580.db2.gz QWUFNBJRORWIJZ-UHFFFAOYSA-N 0 1 297.468 3.835 20 0 CHADMN CC(C)[C@H]1CCCCCN1C(=O)c1cccc(F)c1O ZINC001266691271 1118555561 /nfs/dbraw/zinc/55/55/61/1118555561.db2.gz JYADTGXKTPXJRJ-CQSZACIVSA-N 0 1 279.355 3.572 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2ncccc2C)cc1 ZINC000071339295 1118566424 /nfs/dbraw/zinc/56/64/24/1118566424.db2.gz SBQQXBIIZRNZPH-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN COc1nc(C)cc(C)c1CNCc1ccc(C2CC2)cc1 ZINC000656496461 1118567067 /nfs/dbraw/zinc/56/70/67/1118567067.db2.gz OSFFMIAGBWNVSO-UHFFFAOYSA-N 0 1 296.414 3.874 20 0 CHADMN Cn1nc(CN2CCC(c3ccco3)CC2)c2ccccc21 ZINC000668462710 1118571878 /nfs/dbraw/zinc/57/18/78/1118571878.db2.gz RGWRFPIFLAGFJA-UHFFFAOYSA-N 0 1 295.386 3.546 20 0 CHADMN Cc1cccc2ncc(CN3CCC(c4ccco4)CC3)n21 ZINC000668462877 1118572101 /nfs/dbraw/zinc/57/21/01/1118572101.db2.gz SJWNFYJNSOICSA-UHFFFAOYSA-N 0 1 295.386 3.615 20 0 CHADMN C[C@H](NCc1ccc(Br)cn1)c1ccsc1 ZINC000069938817 1118577772 /nfs/dbraw/zinc/57/77/72/1118577772.db2.gz CQRLJAOTBAVALB-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN Cc1cnc(CN[C@@H](c2ccccc2C)C(C)C)n1C ZINC000341020344 1118587235 /nfs/dbraw/zinc/58/72/35/1118587235.db2.gz RBTVPRACMRWHRA-QGZVFWFLSA-N 0 1 271.408 3.524 20 0 CHADMN CC1(C)CC(c2nc([C@H]3CCCN3)no2)CC(C)(C)C1 ZINC000656560532 1118595167 /nfs/dbraw/zinc/59/51/67/1118595167.db2.gz AOAJYWKCGYLICZ-GFCCVEGCSA-N 0 1 277.412 3.814 20 0 CHADMN Clc1cc2ccccc2c(-c2nc([C@H]3CCCN3)no2)c1 ZINC000656560812 1118595728 /nfs/dbraw/zinc/59/57/28/1118595728.db2.gz IWTCQTYOCOLXPQ-CQSZACIVSA-N 0 1 299.761 3.968 20 0 CHADMN Cc1cccc(CN[C@@H]2CCCc3occc32)c1F ZINC000296526448 1118596360 /nfs/dbraw/zinc/59/63/60/1118596360.db2.gz SHYKENSSQLCQQN-CQSZACIVSA-N 0 1 259.324 3.894 20 0 CHADMN CCCCC[C@H](C(=O)N1C[C@H](C)N(CC)C[C@H]1C)C(C)C ZINC001127595015 1128787992 /nfs/dbraw/zinc/78/79/92/1128787992.db2.gz OLPMGKYSPZMAPS-BBWFWOEESA-N 0 1 296.499 3.780 20 0 CHADMN COc1cc(F)c(F)cc1CN1CCC[C@@H](C)[C@@H]1C ZINC001143394642 1118606714 /nfs/dbraw/zinc/60/67/14/1118606714.db2.gz KLIOMMFAHFDEJL-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN COc1cc(CN[C@@H](C)c2cc(C)ccn2)ccc1C ZINC000285539420 1118607179 /nfs/dbraw/zinc/60/71/79/1118607179.db2.gz CBENVKWLNYNSPC-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CN(Cc1cnc(C2CC2)nc1)C(C)(C)c1ccccc1 ZINC000656610329 1118607247 /nfs/dbraw/zinc/60/72/47/1118607247.db2.gz SMEONKIUAPRQSQ-UHFFFAOYSA-N 0 1 281.403 3.721 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1cc(C)cs1 ZINC000834884430 1118609655 /nfs/dbraw/zinc/60/96/55/1118609655.db2.gz ZENRIYVYBPXQCC-SNVBAGLBSA-N 0 1 264.394 3.766 20 0 CHADMN COc1cc(F)c(F)cc1CN1CCC2(CCCC2)C1 ZINC001143394869 1118610060 /nfs/dbraw/zinc/61/00/60/1118610060.db2.gz TZJNFNVWBJJZLX-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN CN(Cc1nc(-c2cccs2)no1)[C@H]1CCC(C)(C)C1 ZINC000348670538 1118612295 /nfs/dbraw/zinc/61/22/95/1118612295.db2.gz JAKBELTYRPRPOU-NSHDSACASA-N 0 1 291.420 3.809 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cc(OC)ccn1 ZINC000114563786 1118617095 /nfs/dbraw/zinc/61/70/95/1118617095.db2.gz HJXAJQZQIHICKN-SFHVURJKSA-N 0 1 282.387 3.600 20 0 CHADMN c1nc(C2CC2)sc1CN1CC(Cc2ccccc2)C1 ZINC000656651901 1118620688 /nfs/dbraw/zinc/62/06/88/1118620688.db2.gz VCHZAEAMQFANOP-UHFFFAOYSA-N 0 1 284.428 3.695 20 0 CHADMN Cc1ccc([C@@H](C)NCc2nc3cccnc3s2)cc1 ZINC000341207183 1118621251 /nfs/dbraw/zinc/62/12/51/1118621251.db2.gz JHMVZMGCUACMFI-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN COc1ccc([C@H](C)NCc2nc3cccnc3s2)cc1 ZINC000341213534 1118623908 /nfs/dbraw/zinc/62/39/08/1118623908.db2.gz RDYHSROYWOVTQE-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN C[C@@H](NCc1cccc(OC2CC2)c1F)c1ccncc1 ZINC000656684085 1118636885 /nfs/dbraw/zinc/63/68/85/1118636885.db2.gz SHKKAZPAWWHLEE-GFCCVEGCSA-N 0 1 286.350 3.613 20 0 CHADMN FC(F)C1CN(Cc2ccc(C3CCC3)cc2)C1 ZINC000656691515 1118638847 /nfs/dbraw/zinc/63/88/47/1118638847.db2.gz FWQFKWAKLKMKCM-UHFFFAOYSA-N 0 1 251.320 3.651 20 0 CHADMN FC1(CN2CCC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000684356253 1118644836 /nfs/dbraw/zinc/64/48/36/1118644836.db2.gz VHTKNJWZZBVYNG-LBPRGKRZSA-N 0 1 274.339 3.509 20 0 CHADMN Cc1ccc(C[N@H+]2CCC23CCCCC3)c(Cl)n1 ZINC000707141866 1118647841 /nfs/dbraw/zinc/64/78/41/1118647841.db2.gz YQIYHYNVZAPXOV-UHFFFAOYSA-N 0 1 264.800 3.952 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656760916 1118650884 /nfs/dbraw/zinc/65/08/84/1118650884.db2.gz KAAYSIOUMVPHRE-GJZGRUSLSA-N 0 1 267.413 3.532 20 0 CHADMN C[N@@H+](CCCCC(=O)[O-])C1CC(C)(C)CC(C)(C)C1 ZINC000656761795 1118650734 /nfs/dbraw/zinc/65/07/34/1118650734.db2.gz UFWMDZMIUZQADK-UHFFFAOYSA-N 0 1 269.429 3.778 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](CCC)Cc1ccccc1F ZINC000656765410 1118652347 /nfs/dbraw/zinc/65/23/47/1118652347.db2.gz LIXPEVSQNSLHCA-HNNXBMFYSA-N 0 1 281.371 3.681 20 0 CHADMN Cc1ncc(CN(C)CCSc2ccc(F)cc2)s1 ZINC000076744697 1118652356 /nfs/dbraw/zinc/65/23/56/1118652356.db2.gz DVBRXIJUFLUKJL-UHFFFAOYSA-N 0 1 296.436 3.815 20 0 CHADMN CC1CCC(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)CC1 ZINC000656765621 1118652387 /nfs/dbraw/zinc/65/23/87/1118652387.db2.gz LEXSXNTYUQMRSB-GADNRMJZSA-N 0 1 293.451 3.778 20 0 CHADMN CC1CCC(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)CC1 ZINC000656765623 1118652485 /nfs/dbraw/zinc/65/24/85/1118652485.db2.gz LEXSXNTYUQMRSB-LMNGEROHSA-N 0 1 293.451 3.778 20 0 CHADMN CCC[N@@H+](Cc1ccoc1C(=O)[O-])Cc1ccccc1F ZINC000656766055 1118653382 /nfs/dbraw/zinc/65/33/82/1118653382.db2.gz RDGSFNBNRUYUAO-UHFFFAOYSA-N 0 1 291.322 3.529 20 0 CHADMN CCOc1cccc(CNc2nccc(C)c2C2CC2)n1 ZINC000656779882 1118654613 /nfs/dbraw/zinc/65/46/13/1118654613.db2.gz WOCYFAQHXBHTAK-UHFFFAOYSA-N 0 1 283.375 3.673 20 0 CHADMN CCc1nc(CNc2nc(C)ccc2CC)cs1 ZINC000656778007 1118655800 /nfs/dbraw/zinc/65/58/00/1118655800.db2.gz KUCXKFAWKWAEMN-UHFFFAOYSA-N 0 1 261.394 3.583 20 0 CHADMN CCc1ccc(C)nc1NCc1ncc(Cl)s1 ZINC000656779216 1118655692 /nfs/dbraw/zinc/65/56/92/1118655692.db2.gz SCIRDKNMLBFIDI-UHFFFAOYSA-N 0 1 267.785 3.674 20 0 CHADMN CCOCc1ccc(CN[C@@H](C)c2cnc(C)s2)cc1 ZINC000090402367 1118661905 /nfs/dbraw/zinc/66/19/05/1118661905.db2.gz FXZJTCFNIXBBEV-LBPRGKRZSA-N 0 1 290.432 3.839 20 0 CHADMN CCOc1cccc(CN[C@H](c2ccccn2)C(C)C)c1 ZINC000076903495 1128792525 /nfs/dbraw/zinc/79/25/25/1128792525.db2.gz WRYVXPSUZZQKJO-SFHVURJKSA-N 0 1 284.403 3.967 20 0 CHADMN CCOc1ccc(CNCc2cnccc2C)cc1Cl ZINC000341336594 1118667483 /nfs/dbraw/zinc/66/74/83/1118667483.db2.gz DEUGFBLWHHDPES-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN c1ccc(COc2cncc(CN(C3CC3)C3CC3)c2)cc1 ZINC000625841367 1118674350 /nfs/dbraw/zinc/67/43/50/1118674350.db2.gz HRLMQODXGMNOMW-UHFFFAOYSA-N 0 1 294.398 3.787 20 0 CHADMN C[C@H](c1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000078299877 1118675365 /nfs/dbraw/zinc/67/53/65/1118675365.db2.gz ZQBJAVLJRLYWSS-OAHLLOKOSA-N 0 1 284.378 3.709 20 0 CHADMN Cc1cnc(CN[C@@H]2c3ccccc3CCC[C@@H]2C)n1C ZINC000341382274 1118682150 /nfs/dbraw/zinc/68/21/50/1118682150.db2.gz DBNDMFAXYXAMJA-UGSOOPFHSA-N 0 1 283.419 3.532 20 0 CHADMN CCC(O)(CC)CN(C)Cc1nc2cc(C)ccc2s1 ZINC000626112349 1128793668 /nfs/dbraw/zinc/79/36/68/1128793668.db2.gz WWOOPCRGEPFPCK-UHFFFAOYSA-N 0 1 292.448 3.588 20 0 CHADMN CCOc1ccccc1CN[C@H](C)c1cnc(C)s1 ZINC000090404067 1118685303 /nfs/dbraw/zinc/68/53/03/1118685303.db2.gz IKJMVXSTJWOJCU-LLVKDONJSA-N 0 1 276.405 3.701 20 0 CHADMN Cc1cccc2nc(C[N@H+](CCC(C)C)C3CC3)cn21 ZINC000337496511 1118686636 /nfs/dbraw/zinc/68/66/36/1118686636.db2.gz FWOFDPCXJHQIJL-UHFFFAOYSA-N 0 1 271.408 3.653 20 0 CHADMN C[C@H](CCc1ccccc1)CNC(C)(C)C(F)F ZINC000684414079 1118688313 /nfs/dbraw/zinc/68/83/13/1118688313.db2.gz RNCQYNBIWJKHJR-GFCCVEGCSA-N 0 1 255.352 3.889 20 0 CHADMN CCOc1ccc(CN(C)Cc2cnc(F)c(C)c2)cc1 ZINC000891469021 1118690885 /nfs/dbraw/zinc/69/08/85/1118690885.db2.gz CGGPGEZWGWTHGM-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN Cc1cc(F)ncc1CN1CCC[C@H]1c1cccs1 ZINC000891497027 1118695959 /nfs/dbraw/zinc/69/59/59/1118695959.db2.gz AYPWJGQGWOEKCX-ZDUSSCGKSA-N 0 1 276.380 3.928 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1ccnn1C1CCC1 ZINC000891502896 1118696812 /nfs/dbraw/zinc/69/68/12/1118696812.db2.gz CEYHBDJSYYXZBS-CQSZACIVSA-N 0 1 269.392 3.801 20 0 CHADMN CCc1nc([C@@H](C)NCCOc2ccc(C)cc2)cs1 ZINC000754790436 1118697427 /nfs/dbraw/zinc/69/74/27/1118697427.db2.gz YQQGEHABIXXJQH-CYBMUJFWSA-N 0 1 290.432 3.744 20 0 CHADMN Cc1cc(F)ncc1CN(C)[C@@H](C)c1ccccc1 ZINC000891503598 1118698242 /nfs/dbraw/zinc/69/82/42/1118698242.db2.gz KEXKAMRNZPJYKZ-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN c1nn(C2CCC2)cc1CN(Cc1ccccc1)C1CC1 ZINC000891562293 1118711874 /nfs/dbraw/zinc/71/18/74/1118711874.db2.gz UEPSPUGLKJDOLB-UHFFFAOYSA-N 0 1 281.403 3.773 20 0 CHADMN Cc1ccc(CN2Cc3ccccc3OC[C@@H]2C)s1 ZINC000341462261 1118712224 /nfs/dbraw/zinc/71/22/24/1118712224.db2.gz BHCYHWAZGZQOEL-LBPRGKRZSA-N 0 1 273.401 3.840 20 0 CHADMN Cc1cc(CN[C@@H](c2cccc(F)c2)C(C)(C)C)ncn1 ZINC000293151174 1118720155 /nfs/dbraw/zinc/72/01/55/1118720155.db2.gz MKNWNGMTEWUYGZ-INIZCTEOSA-N 0 1 287.382 3.801 20 0 CHADMN CCn1cc(CN2CCC[C@@H]2c2cccc(F)c2)c(C)n1 ZINC000891617854 1118721759 /nfs/dbraw/zinc/72/17/59/1118721759.db2.gz LABUSKCKVLDMBS-QGZVFWFLSA-N 0 1 287.382 3.688 20 0 CHADMN C[C@H]1Cc2cc(CN3CCC[C@H]3c3ccccn3)ccc2O1 ZINC000891631828 1118726480 /nfs/dbraw/zinc/72/64/80/1118726480.db2.gz ZLZYILNFWNMJAA-KSSFIOAISA-N 0 1 294.398 3.742 20 0 CHADMN COCCOc1ccc(CN(C)[C@H](C)c2cccs2)o1 ZINC000891640683 1118728526 /nfs/dbraw/zinc/72/85/26/1118728526.db2.gz PRIGGPRGIZCYIK-GFCCVEGCSA-N 0 1 295.404 3.559 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnc(C)s1)c1c(C)nn(C)c1C ZINC000090418378 1118734199 /nfs/dbraw/zinc/73/41/99/1118734199.db2.gz OCZDVROVZGFUOX-ZANVPECISA-N 0 1 292.452 3.604 20 0 CHADMN C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000471801091 1118735530 /nfs/dbraw/zinc/73/55/30/1118735530.db2.gz YNUAQSNZZZWRMZ-DGCLKSJQSA-N 0 1 291.391 3.509 20 0 CHADMN Fc1ccc(CNCc2cccs2)c(Cl)c1 ZINC000084569318 1118741958 /nfs/dbraw/zinc/74/19/58/1118741958.db2.gz WYBPSCTZRPGCBF-UHFFFAOYSA-N 0 1 255.745 3.830 20 0 CHADMN CCCN(Cc1c(F)c(F)ccc1OC)CC1CC1 ZINC001143405519 1118745231 /nfs/dbraw/zinc/74/52/31/1118745231.db2.gz YQQNSCCNBULNKT-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN CN(CCCOc1ccccc1)Cc1cnn(C2CCC2)c1 ZINC000891705914 1118747976 /nfs/dbraw/zinc/74/79/76/1118747976.db2.gz VOWVNAVPKSQWPK-UHFFFAOYSA-N 0 1 299.418 3.509 20 0 CHADMN CC(C)(C)[C@@H]1CCC[C@H]([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086962503 1118757325 /nfs/dbraw/zinc/75/73/25/1118757325.db2.gz QKCMTSSXFVXZLC-HZSPNIEDSA-N 0 1 267.413 3.530 20 0 CHADMN Cc1ccc(CNCc2cc(Br)cs2)nc1 ZINC000087782250 1118767783 /nfs/dbraw/zinc/76/77/83/1118767783.db2.gz JNEZAXRPGHSYPF-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN Oc1ccc([C@H]2CCCN2Cc2ccc(O)c(F)c2)cc1 ZINC000891795732 1118778383 /nfs/dbraw/zinc/77/83/83/1118778383.db2.gz AZFQEYSMAGZQNK-MRXNPFEDSA-N 0 1 287.334 3.574 20 0 CHADMN CCn1ccnc1[C@@H]1CCCC[N@H+]1C[C@@H]1CC=CCC1 ZINC000430870607 1118780436 /nfs/dbraw/zinc/78/04/36/1118780436.db2.gz VFWIZTWZDIQDBY-CVEARBPZSA-N 0 1 273.424 3.786 20 0 CHADMN CCCc1nc(C)c(CN[C@H](c2cccnc2)C(C)C)o1 ZINC000426330443 1118780607 /nfs/dbraw/zinc/78/06/07/1118780607.db2.gz MELOSTZFHSJKHM-KRWDZBQOSA-N 0 1 287.407 3.817 20 0 CHADMN CC1=C[C@H](C)C[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000430875233 1118780687 /nfs/dbraw/zinc/78/06/87/1118780687.db2.gz MPWYUXMPZVLKLN-NSHDSACASA-N 0 1 273.405 3.536 20 0 CHADMN CCOc1ccc(C[N@@H+]2CC(C)=C[C@@H](C)C2)cc1F ZINC000430873943 1118780758 /nfs/dbraw/zinc/78/07/58/1118780758.db2.gz BNJXSTDHYOXJRL-GFCCVEGCSA-N 0 1 263.356 3.622 20 0 CHADMN COc1ccc2cc(C[N@H+]3CCO[C@@H]4CCC[C@@H]43)ccc2c1 ZINC000510643228 1118781201 /nfs/dbraw/zinc/78/12/01/1118781201.db2.gz FFMKAEMFZRTVHP-RBUKOAKNSA-N 0 1 297.398 3.602 20 0 CHADMN COc1ccc2cc(CN3CCO[C@@H]4CCC[C@@H]43)ccc2c1 ZINC000510643228 1118781203 /nfs/dbraw/zinc/78/12/03/1118781203.db2.gz FFMKAEMFZRTVHP-RBUKOAKNSA-N 0 1 297.398 3.602 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2cnc(-c3ccco3)s2)C1 ZINC000430876156 1118781404 /nfs/dbraw/zinc/78/14/04/1118781404.db2.gz CYUDXKIMRCBJEN-LLVKDONJSA-N 0 1 274.389 3.801 20 0 CHADMN CN(Cc1ccco1)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000349584491 1118781456 /nfs/dbraw/zinc/78/14/56/1118781456.db2.gz CLVUACVUAUWBDL-UHFFFAOYSA-N 0 1 271.360 3.625 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H](c2ccccc2C)C(C)(C)C)c1C ZINC000430898986 1118784101 /nfs/dbraw/zinc/78/41/01/1118784101.db2.gz YKMGHPFDUDIBCX-MRXNPFEDSA-N 0 1 299.418 3.852 20 0 CHADMN Cn1ccc(CNC(c2ccccc2)c2ccccc2)c1 ZINC000091007150 1118784202 /nfs/dbraw/zinc/78/42/02/1118784202.db2.gz OQCIOQQORNIMAS-UHFFFAOYSA-N 0 1 276.383 3.904 20 0 CHADMN CC(C)(C)c1coc(CN2CCC[C@H]3CCC[C@H]32)n1 ZINC000891804160 1118784389 /nfs/dbraw/zinc/78/43/89/1118784389.db2.gz OPIATCORASNXIR-CHWSQXEVSA-N 0 1 262.397 3.737 20 0 CHADMN CC[C@@H](NC1CCC(OC2CCCC2)CC1)C(F)F ZINC000449363246 1118795631 /nfs/dbraw/zinc/79/56/31/1118795631.db2.gz OWVWBOZZQXZAPG-UXUKBGGZSA-N 0 1 275.383 3.890 20 0 CHADMN CC(C)n1ccnc1CN[C@]1(C)CCCc2ccccc21 ZINC000341693451 1118799443 /nfs/dbraw/zinc/79/94/43/1118799443.db2.gz SFILHLQYXRBHCX-GOSISDBHSA-N 0 1 283.419 3.805 20 0 CHADMN Cc1oncc1CN1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000933818283 1118799864 /nfs/dbraw/zinc/79/98/64/1118799864.db2.gz GYJOUQIXROQNSG-UHFFFAOYSA-N 0 1 293.370 3.754 20 0 CHADMN Cc1ccc(SCc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000430985837 1118806020 /nfs/dbraw/zinc/80/60/20/1118806020.db2.gz AHYJIITXNBNETD-UHFFFAOYSA-N 0 1 261.394 3.703 20 0 CHADMN C[C@H](F)CCN(C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000510794992 1118818214 /nfs/dbraw/zinc/81/82/14/1118818214.db2.gz FSVRJOIHRNJXBN-WMLDXEAASA-N 0 1 277.383 3.705 20 0 CHADMN CCn1cc(C[N@H+]2CCC[C@H]2c2ccccc2OC)c(C)n1 ZINC000891918741 1118847814 /nfs/dbraw/zinc/84/78/14/1118847814.db2.gz ZBKTYCRVAGEDPA-KRWDZBQOSA-N 0 1 299.418 3.557 20 0 CHADMN CCn1cc(CN2CCC[C@H]2c2ccccc2OC)c(C)n1 ZINC000891918741 1118847818 /nfs/dbraw/zinc/84/78/18/1118847818.db2.gz ZBKTYCRVAGEDPA-KRWDZBQOSA-N 0 1 299.418 3.557 20 0 CHADMN Cc1cccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2C)c1 ZINC000016374512 1118851461 /nfs/dbraw/zinc/85/14/61/1118851461.db2.gz DTCAXALCSMQQOY-MRXNPFEDSA-N 0 1 296.414 3.762 20 0 CHADMN [O-]c1cccc2c(N3CCC[C@H]3c3ccccn3)cc[nH+]c12 ZINC000684570476 1118853709 /nfs/dbraw/zinc/85/37/09/1118853709.db2.gz UATKNULWSWHMGP-INIZCTEOSA-N 0 1 291.354 3.677 20 0 CHADMN [O-]c1cccc2c(NCc3cc(F)ccc3F)cc[nH+]c12 ZINC000684572609 1118855216 /nfs/dbraw/zinc/85/52/16/1118855216.db2.gz KCOMDWCNCRRBBD-UHFFFAOYSA-N 0 1 286.281 3.831 20 0 CHADMN C[C@@H](NCc1ccc(CO)cc1)c1ccccc1Cl ZINC000133118971 1118860336 /nfs/dbraw/zinc/86/03/36/1118860336.db2.gz XILCGWWUVZSYED-GFCCVEGCSA-N 0 1 275.779 3.683 20 0 CHADMN CC[C@H](C)C(=O)CSc1nc2ccc(C)cc2[nH]1 ZINC000133148359 1118860367 /nfs/dbraw/zinc/86/03/67/1118860367.db2.gz MIZIVOMVOCCAOO-JTQLQIEISA-N 0 1 262.378 3.579 20 0 CHADMN CC(C)CN(C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000093352156 1118861607 /nfs/dbraw/zinc/86/16/07/1118861607.db2.gz SZVFZJSSYLQGRG-UHFFFAOYSA-N 0 1 296.321 3.620 20 0 CHADMN Cc1cc(CN2CCO[C@]3(CCc4ccccc43)C2)c(C)o1 ZINC000093638283 1118865554 /nfs/dbraw/zinc/86/55/54/1118865554.db2.gz ZUERIMIEWVICAJ-LJQANCHMSA-N 0 1 297.398 3.570 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CC[C@@H](C)[C@H](F)C1 ZINC000684579886 1118868238 /nfs/dbraw/zinc/86/82/38/1118868238.db2.gz ANKJSCMJEKAOQN-ZWNOBZJWSA-N 0 1 292.329 3.567 20 0 CHADMN C[C@H](CNc1cc[nH+]c2c([O-])cccc12)c1nccs1 ZINC000684580910 1118869470 /nfs/dbraw/zinc/86/94/70/1118869470.db2.gz FNDMIINXHSMMJN-SNVBAGLBSA-N 0 1 285.372 3.613 20 0 CHADMN C[C@H](CCc1cccc(F)c1)N[C@@H](C)C(C)(F)F ZINC000449412707 1118876208 /nfs/dbraw/zinc/87/62/08/1118876208.db2.gz GHUAUIBQJHHCGC-MNOVXSKESA-N 0 1 259.315 3.780 20 0 CHADMN C[C@H](NCCc1ccc2ccccc2n1)c1cscn1 ZINC000535776962 1118884382 /nfs/dbraw/zinc/88/43/82/1118884382.db2.gz UJLRNUOIKDRIDO-LBPRGKRZSA-N 0 1 283.400 3.585 20 0 CHADMN CCCN(Cc1cncs1)Cc1ccc(C)cc1 ZINC000535781758 1118884997 /nfs/dbraw/zinc/88/49/97/1118884997.db2.gz ZDPWSTXZLZCADT-UHFFFAOYSA-N 0 1 260.406 3.864 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccccn2)ccc1F ZINC000535785426 1118886501 /nfs/dbraw/zinc/88/65/01/1118886501.db2.gz JEAPXZHEPNRMHQ-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cc(CN2C3CCC2CC3)sc1Br ZINC000535780315 1118888099 /nfs/dbraw/zinc/88/80/99/1118888099.db2.gz LKOUYRZURDENQW-UHFFFAOYSA-N 0 1 286.238 3.946 20 0 CHADMN CN(Cc1cnc(C2CC2)nc1)[C@H]1CCCc2ccccc21 ZINC000563090556 1118891854 /nfs/dbraw/zinc/89/18/54/1118891854.db2.gz VJNOKCAGAFJEQQ-SFHVURJKSA-N 0 1 293.414 3.863 20 0 CHADMN COc1ccc(F)c(F)c1CN1C2CCCC1CCC2 ZINC001143418344 1118895091 /nfs/dbraw/zinc/89/50/91/1118895091.db2.gz RDSALAZYUGRUHB-UHFFFAOYSA-N 0 1 281.346 3.880 20 0 CHADMN Fc1ccccc1NCCCNCc1ncc(Cl)s1 ZINC000349645186 1118897788 /nfs/dbraw/zinc/89/77/88/1118897788.db2.gz KBYLTGBRLDVNEC-UHFFFAOYSA-N 0 1 299.802 3.527 20 0 CHADMN CO[C@H](CN[C@H](C)c1ccco1)c1ccccc1Cl ZINC000090453552 1118900299 /nfs/dbraw/zinc/90/02/99/1118900299.db2.gz LWSUNTFKBASXKI-IAQYHMDHSA-N 0 1 279.767 3.971 20 0 CHADMN Cc1cc(C)c([C@@H](C)N(C)Cc2c[nH]cn2)c(C)c1 ZINC000684616224 1118904951 /nfs/dbraw/zinc/90/49/51/1118904951.db2.gz GOJSRHPLFNIJGT-CQSZACIVSA-N 0 1 257.381 3.528 20 0 CHADMN CCOc1ccc(CNC(C)(C)c2cccc(C)c2)nc1 ZINC000677149139 1118905173 /nfs/dbraw/zinc/90/51/73/1118905173.db2.gz KLVVUYCVAVKZGQ-UHFFFAOYSA-N 0 1 284.403 3.814 20 0 CHADMN Cc1cc(CN2CC[C@@](C)(F)C2)cc(C)c1OC(F)F ZINC000535841843 1118906423 /nfs/dbraw/zinc/90/64/23/1118906423.db2.gz QEOIALBBPUDKOZ-OAHLLOKOSA-N 0 1 287.325 3.839 20 0 CHADMN CCN(CCOC)Cc1cc(Cl)ccc1OCC1CC1 ZINC000684617967 1118907267 /nfs/dbraw/zinc/90/72/67/1118907267.db2.gz YNBKBMHJJIVBSQ-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN C[C@@H](CCO)NCc1c(Cl)ccc(Cl)c1Cl ZINC000096811374 1118909911 /nfs/dbraw/zinc/90/99/11/1118909911.db2.gz RASRRPIJUSRNFZ-ZETCQYMHSA-N 0 1 282.598 3.507 20 0 CHADMN O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000535907201 1118923810 /nfs/dbraw/zinc/92/38/10/1118923810.db2.gz PMBZWRMDGXMBME-JHJVBQTASA-N 0 1 298.390 3.503 20 0 CHADMN COc1ccc(CN2CCC(CF)CC2)c(Cl)c1 ZINC000449450727 1118924885 /nfs/dbraw/zinc/92/48/85/1118924885.db2.gz BXLSWCRAUGPFOG-UHFFFAOYSA-N 0 1 271.763 3.530 20 0 CHADMN CCc1nc([C@@H](C)Sc2ccc3c(c2)CCC3)n[nH]1 ZINC000657235785 1118926888 /nfs/dbraw/zinc/92/68/88/1118926888.db2.gz RPLOLNYJMUSEIS-SNVBAGLBSA-N 0 1 273.405 3.709 20 0 CHADMN COc1ccccc1[C@H](NCCC1(C)CC1)c1ccccn1 ZINC000926327952 1118927086 /nfs/dbraw/zinc/92/70/86/1118927086.db2.gz WTBZHMJZBZKZFX-SFHVURJKSA-N 0 1 296.414 3.959 20 0 CHADMN CCc1nc([C@@H](C)Sc2nc(-c3ccccc3)c[nH]2)n[nH]1 ZINC000657241622 1118931554 /nfs/dbraw/zinc/93/15/54/1118931554.db2.gz DQBPCRFTXPCKFR-SNVBAGLBSA-N 0 1 299.403 3.611 20 0 CHADMN Cc1csc(CNCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000380792734 1118950274 /nfs/dbraw/zinc/95/02/74/1118950274.db2.gz IVLSEBTZPLUVJM-UHFFFAOYSA-N 0 1 296.779 3.908 20 0 CHADMN CCOC[C@H]1CCC[N@@H+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892050507 1118950457 /nfs/dbraw/zinc/95/04/57/1118950457.db2.gz ZGZRQBDBBPNDBW-KRWDZBQOSA-N 0 1 290.451 3.529 20 0 CHADMN Cn1cc(CN2CCC(C(F)F)CC2)c(C2CCCC2)n1 ZINC000892057577 1118951043 /nfs/dbraw/zinc/95/10/43/1118951043.db2.gz HYHNHOSYAYRZOW-UHFFFAOYSA-N 0 1 297.393 3.555 20 0 CHADMN CCC[C@@](C)(NCc1cnc(Cl)cn1)c1ccccc1 ZINC000934179295 1118955145 /nfs/dbraw/zinc/95/51/45/1118955145.db2.gz CKPWHTXBVLZHHU-MRXNPFEDSA-N 0 1 289.810 3.935 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1nc(C(C)(C)C)co1 ZINC000892069595 1118955780 /nfs/dbraw/zinc/95/57/80/1118955780.db2.gz NWMYVFPFLLURRN-NWDGAFQWSA-N 0 1 250.386 3.593 20 0 CHADMN CCC[C@@](C)(NCc1cc2n(n1)CCC2)c1ccccc1 ZINC000934179959 1118956492 /nfs/dbraw/zinc/95/64/92/1118956492.db2.gz IXCICKRKVKICJZ-GOSISDBHSA-N 0 1 283.419 3.634 20 0 CHADMN CC[C@H]1C[C@@H](NCc2ccc(Cl)cc2Cl)CO1 ZINC000657286385 1118956546 /nfs/dbraw/zinc/95/65/46/1118956546.db2.gz MRNVHRZTDQKWLK-NEPJUHHUSA-N 0 1 274.191 3.651 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccccn2)c(C)c1 ZINC000657286854 1118957370 /nfs/dbraw/zinc/95/73/70/1118957370.db2.gz DLCTWPGGFLYGBG-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN CCOc1ccc(CNCc2ccccc2F)c(C)c1 ZINC000657291151 1118960387 /nfs/dbraw/zinc/96/03/87/1118960387.db2.gz UDJLIFAEHKEPFI-UHFFFAOYSA-N 0 1 273.351 3.823 20 0 CHADMN CN(Cc1ccncc1)Cc1cccc(OC(F)(F)F)c1 ZINC000156963117 1118964104 /nfs/dbraw/zinc/96/41/04/1118964104.db2.gz SPGJQOQNKVLEED-UHFFFAOYSA-N 0 1 296.292 3.612 20 0 CHADMN Cc1ccccc1[C@H]1C[C@H](N[C@H](C)c2ncco2)C1 ZINC000926350020 1118966352 /nfs/dbraw/zinc/96/63/52/1118966352.db2.gz GAGDGPRFPPINFC-MGPQQGTHSA-N 0 1 256.349 3.580 20 0 CHADMN Fc1ccc(CNCC2=CCCOC2)c(Cl)c1Cl ZINC000342289408 1118968608 /nfs/dbraw/zinc/96/86/08/1118968608.db2.gz CAAXZRZDOBIVQW-UHFFFAOYSA-N 0 1 290.165 3.569 20 0 CHADMN CC[C@@H](C)Oc1ccc(NC(=O)[C@H](N)c2ccccc2)cc1 ZINC000236923855 1118974215 /nfs/dbraw/zinc/97/42/15/1118974215.db2.gz GXQDYTFZYAOIGD-CXAGYDPISA-N 0 1 298.386 3.502 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccn(C(F)F)n1)CCC2 ZINC000342328863 1118978517 /nfs/dbraw/zinc/97/85/17/1118978517.db2.gz YIEYEDIMKLDHSD-HNNXBMFYSA-N 0 1 291.345 3.754 20 0 CHADMN CC(C)(C)c1coc(CNCCCc2ccccc2)n1 ZINC000724380209 1118983793 /nfs/dbraw/zinc/98/37/93/1118983793.db2.gz BZQCZPFLDDPJIU-UHFFFAOYSA-N 0 1 272.392 3.695 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc(F)cc3OC(C)C)c2c1 ZINC001212289768 1128813834 /nfs/dbraw/zinc/81/38/34/1128813834.db2.gz FZRRYMPPSAWCOF-UHFFFAOYSA-N 0 1 299.349 3.842 20 0 CHADMN CC(C)Oc1cc(F)ccc1-n1c(N)nc2ccccc21 ZINC001212289702 1128813865 /nfs/dbraw/zinc/81/38/65/1128813865.db2.gz CYTADFAPBZBWFS-UHFFFAOYSA-N 0 1 285.322 3.534 20 0 CHADMN COC[C@H](NCc1cc(C)sc1C)c1ccc(F)cc1 ZINC000342343890 1118987230 /nfs/dbraw/zinc/98/72/30/1118987230.db2.gz NIPDCMZQFCSSND-INIZCTEOSA-N 0 1 293.407 3.981 20 0 CHADMN CCSCC[C@H](C)NCc1nc(C(C)(C)C)co1 ZINC000724394748 1118987327 /nfs/dbraw/zinc/98/73/27/1118987327.db2.gz NOCVBXLYEDVWKS-NSHDSACASA-N 0 1 270.442 3.593 20 0 CHADMN CC(C)Oc1ncccc1CN[C@H](C)c1ccc(F)cc1 ZINC000048760442 1118988653 /nfs/dbraw/zinc/98/86/53/1118988653.db2.gz KQPGDLVOLGTNEX-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN CCn1cc(CN2CC[C@H](C)C[C@@H]2c2ccco2)c(C)n1 ZINC000892152335 1118988834 /nfs/dbraw/zinc/98/88/34/1118988834.db2.gz GOQQYRDXKNFGPD-XJKSGUPXSA-N 0 1 287.407 3.778 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc2c(cc1Cl)OCCO2 ZINC001167533440 1118989345 /nfs/dbraw/zinc/98/93/45/1118989345.db2.gz CVBYPDOPSQHGRM-TXEJJXNPSA-N 0 1 295.810 3.874 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1cc2c(cc1Cl)OCCO2 ZINC001167533440 1118989348 /nfs/dbraw/zinc/98/93/48/1118989348.db2.gz CVBYPDOPSQHGRM-TXEJJXNPSA-N 0 1 295.810 3.874 20 0 CHADMN CC1(C)CN(Cc2nc3cccnc3s2)CC(C)(C)C1 ZINC000342364611 1118992688 /nfs/dbraw/zinc/99/26/88/1118992688.db2.gz UDYBCUCOYUCQSD-UHFFFAOYSA-N 0 1 289.448 3.949 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccco1)CCCO2 ZINC000152039441 1118996028 /nfs/dbraw/zinc/99/60/28/1118996028.db2.gz MSGUHKHHYMMHGH-HNNXBMFYSA-N 0 1 257.333 3.592 20 0 CHADMN C[C@H](c1ccccc1F)N(C)C[C@H](O)c1cccc(F)c1 ZINC000051407421 1118998381 /nfs/dbraw/zinc/99/83/81/1118998381.db2.gz DGOQQTZVTIYXTE-PXAZEXFGSA-N 0 1 291.341 3.691 20 0 CHADMN CC1(C)Cc2occc2[C@H](NCc2ccc3c(c2)OCO3)C1 ZINC000152064968 1118998712 /nfs/dbraw/zinc/99/87/12/1118998712.db2.gz MPOYNQAMYYELPV-CQSZACIVSA-N 0 1 299.370 3.812 20 0 CHADMN CC(C)(C)c1coc(CN[C@@H](C2CC2)C(C)(C)C)n1 ZINC000724428422 1119000157 /nfs/dbraw/zinc/00/01/57/1119000157.db2.gz ICWZFJKFTNIDKI-AWEZNQCLSA-N 0 1 264.413 3.886 20 0 CHADMN CC(C)(C)c1coc(CNC2(C)CCCCC2)n1 ZINC000724432609 1119002206 /nfs/dbraw/zinc/00/22/06/1119002206.db2.gz LELBJERLOBDFBU-UHFFFAOYSA-N 0 1 250.386 3.785 20 0 CHADMN Cc1cccnc1[C@H](NCc1cncs1)C(C)(C)C ZINC000934286464 1119009840 /nfs/dbraw/zinc/00/98/40/1119009840.db2.gz GMOHNTNMWMELFB-AWEZNQCLSA-N 0 1 275.421 3.724 20 0 CHADMN CC1(C)C[C@H](NCc2c(Cl)oc3ccccc32)CO1 ZINC000396600414 1119016120 /nfs/dbraw/zinc/01/61/20/1119016120.db2.gz PMLPJUJTMUOLOD-JTQLQIEISA-N 0 1 279.767 3.743 20 0 CHADMN Cc1csc([C@H](C)NCc2cc3ccncc3s2)n1 ZINC000657345776 1119016365 /nfs/dbraw/zinc/01/63/65/1119016365.db2.gz YZEPCQOWXLLOGS-JTQLQIEISA-N 0 1 289.429 3.912 20 0 CHADMN CC(C)(C)C1CCN(Cc2ccncc2Cl)CC1 ZINC000472178231 1119022193 /nfs/dbraw/zinc/02/21/93/1119022193.db2.gz QAUQRLGUXUJIFZ-UHFFFAOYSA-N 0 1 266.816 3.993 20 0 CHADMN CC(F)(F)CCN[C@@H](c1ccccc1)c1ccccn1 ZINC000294081535 1119031044 /nfs/dbraw/zinc/03/10/44/1119031044.db2.gz AGSDHTDFRORRSD-HNNXBMFYSA-N 0 1 276.330 3.806 20 0 CHADMN CC(F)(F)CCN[C@H](c1ccccc1)c1ccccn1 ZINC000294081537 1119031458 /nfs/dbraw/zinc/03/14/58/1119031458.db2.gz AGSDHTDFRORRSD-OAHLLOKOSA-N 0 1 276.330 3.806 20 0 CHADMN Cc1nc(CN(CC2CCCCC2)C2CC2)[nH]c1C ZINC000628149145 1128817593 /nfs/dbraw/zinc/81/75/93/1128817593.db2.gz OCEXGFFKRFRELZ-UHFFFAOYSA-N 0 1 261.413 3.571 20 0 CHADMN Cc1nc2ccc(Nc3cc(=O)[nH]n3C3CCCC3)cc2[nH]1 ZINC001213070250 1128817676 /nfs/dbraw/zinc/81/76/76/1128817676.db2.gz GUYBKCSKMBZAPQ-UHFFFAOYSA-N 0 1 297.362 3.632 20 0 CHADMN CC(C)n1ccnc1CN[C@@H]1C[C@H]1C1CCCCC1 ZINC000657382655 1119044333 /nfs/dbraw/zinc/04/43/33/1119044333.db2.gz SORIHMCMRNUCFC-LSDHHAIUSA-N 0 1 261.413 3.522 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)n1 ZINC000628144363 1128817780 /nfs/dbraw/zinc/81/77/80/1128817780.db2.gz ZXEDEBAITLZMPQ-HNNXBMFYSA-N 0 1 294.402 3.579 20 0 CHADMN CC[C@H]1CCCC[C@@H]1CN(C)Cc1cc(C)on1 ZINC000628140357 1128817852 /nfs/dbraw/zinc/81/78/52/1128817852.db2.gz IDFGZPFRKOAADM-UONOGXRCSA-N 0 1 250.386 3.631 20 0 CHADMN CCOC1CC(CN2CC[C@](F)(c3ccccc3F)C2)C1 ZINC000375689183 1119054724 /nfs/dbraw/zinc/05/47/24/1119054724.db2.gz LWVAYZWUDGZBIP-MQBCKMQZSA-N 0 1 295.373 3.511 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H](C)c1cccnc1 ZINC000158485344 1119063384 /nfs/dbraw/zinc/06/33/84/1119063384.db2.gz QRHXSBNGDATACG-OLZOCXBDSA-N 0 1 286.423 3.753 20 0 CHADMN Cc1c[nH]c(CN[C@@H](CC2CCC2)c2ccccc2)n1 ZINC000657429993 1119082056 /nfs/dbraw/zinc/08/20/56/1119082056.db2.gz VMMNCFXOUUWJBN-INIZCTEOSA-N 0 1 269.392 3.739 20 0 CHADMN CCSc1ccc([C@@H](C)NCc2cc(C)nn2C)cc1 ZINC000342572624 1119088089 /nfs/dbraw/zinc/08/80/89/1119088089.db2.gz FXZTZNHLJNKVCW-CYBMUJFWSA-N 0 1 289.448 3.691 20 0 CHADMN Fc1cccc([C@@H]2CCN(Cc3cnc(C4CC4)o3)C2)c1 ZINC000628164626 1128820825 /nfs/dbraw/zinc/82/08/25/1128820825.db2.gz WPGCAZRYHJXXPV-CQSZACIVSA-N 0 1 286.350 3.681 20 0 CHADMN COC(=O)c1ccc(Cl)c(CN2CCCC[C@H]2C)c1 ZINC000511132065 1119090572 /nfs/dbraw/zinc/09/05/72/1119090572.db2.gz UOERBFIBHAQEAT-LLVKDONJSA-N 0 1 281.783 3.501 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)[N@@H+](C)CC[C@H]1CCCO1 ZINC000342583379 1119091191 /nfs/dbraw/zinc/09/11/91/1119091191.db2.gz HOOPFNGELGUTNY-WCQYABFASA-N 0 1 269.335 3.527 20 0 CHADMN C[C@H](NCc1cccn1C)c1cc2ccccc2o1 ZINC000049537692 1119102802 /nfs/dbraw/zinc/10/28/02/1119102802.db2.gz UTMZHMLBVHLEFH-LBPRGKRZSA-N 0 1 254.333 3.622 20 0 CHADMN CC/C=C\CCN[C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000342625977 1119105033 /nfs/dbraw/zinc/10/50/33/1119105033.db2.gz AEKUVNPPWQUNNA-KRZKBDHCSA-N 0 1 296.436 3.635 20 0 CHADMN CCO[C@H]1C[C@@H](N(C)Cc2cnc(C)o2)C12CCCCC2 ZINC000628183455 1128822411 /nfs/dbraw/zinc/82/24/11/1128822411.db2.gz BZNCDXDSLHDOLN-CVEARBPZSA-N 0 1 292.423 3.543 20 0 CHADMN CC(=O)c1ccc(F)cc1OCc1ccc2nc(C)[nH]c2c1 ZINC000342655661 1119115154 /nfs/dbraw/zinc/11/51/54/1119115154.db2.gz NDTLRRYUZJIKPA-UHFFFAOYSA-N 0 1 298.317 3.792 20 0 CHADMN CCO[C@H]1C[C@H](N(C)Cc2cnc(C)o2)C12CCCCC2 ZINC000628183456 1128823471 /nfs/dbraw/zinc/82/34/71/1128823471.db2.gz BZNCDXDSLHDOLN-HOTGVXAUSA-N 0 1 292.423 3.543 20 0 CHADMN CCOc1ccc(CN[C@@H]2COCc3ccccc32)c(C)c1 ZINC000657493863 1119130740 /nfs/dbraw/zinc/13/07/40/1119130740.db2.gz JYGCJMLTMQIQKM-LJQANCHMSA-N 0 1 297.398 3.755 20 0 CHADMN Cc1csc(C(C)(C)NCc2cccc3[nH]ccc32)n1 ZINC000116382248 1119139634 /nfs/dbraw/zinc/13/96/34/1119139634.db2.gz NJMGGWHXEYPVDO-UHFFFAOYSA-N 0 1 285.416 3.958 20 0 CHADMN CCC[C@@H](N[C@H]1CCCc2cccnc21)c1ccccn1 ZINC000684954547 1119141616 /nfs/dbraw/zinc/14/16/16/1119141616.db2.gz APCRBKYQIYOGMJ-SJORKVTESA-N 0 1 281.403 3.985 20 0 CHADMN CC[C@H](N[C@H]1CCCc2cccnc21)c1c(C)nn(C)c1C ZINC000684958208 1119142028 /nfs/dbraw/zinc/14/20/28/1119142028.db2.gz VMZXVHQCJVHVAJ-HOTGVXAUSA-N 0 1 298.434 3.550 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@@]3(CCCc4ccccc43)C2)n1 ZINC000628186838 1128824402 /nfs/dbraw/zinc/82/44/02/1128824402.db2.gz XRTQBPHCGOVPGP-IBGZPJMESA-N 0 1 295.430 3.588 20 0 CHADMN COc1ccc(C)cc1CN[C@H]1CCCc2cccnc21 ZINC000684958625 1119142991 /nfs/dbraw/zinc/14/29/91/1119142991.db2.gz RJTVGOZURSYMQT-INIZCTEOSA-N 0 1 282.387 3.566 20 0 CHADMN Fc1cccc(C2(N[C@@H]3CCCc4cccnc43)CC2)c1 ZINC000684961441 1119145146 /nfs/dbraw/zinc/14/51/46/1119145146.db2.gz RBOMWEABDMQXAI-MRXNPFEDSA-N 0 1 282.362 3.877 20 0 CHADMN C[C@@H]1C[C@H](Nc2ccnc3cc(F)ccc32)CS1 ZINC000413515033 1119150470 /nfs/dbraw/zinc/15/04/70/1119150470.db2.gz JSEFVDNKMMTPEW-KOLCDFICSA-N 0 1 262.353 3.680 20 0 CHADMN COC(=O)c1ccc(Nc2ccnc(C(C)(C)C)c2)o1 ZINC001213163236 1119151925 /nfs/dbraw/zinc/15/19/25/1119151925.db2.gz ZIXLOSBTGJBAOF-UHFFFAOYSA-N 0 1 274.320 3.502 20 0 CHADMN Cc1cnc(CN2CC[C@@H](C)C3(CCCCC3)C2)n1C ZINC000342781899 1119164179 /nfs/dbraw/zinc/16/41/79/1119164179.db2.gz QZNQNILRNQSLSD-CQSZACIVSA-N 0 1 275.440 3.521 20 0 CHADMN Cc1ccc(SCCNCc2cnc(C3CC3)o2)cc1 ZINC000628199709 1128826615 /nfs/dbraw/zinc/82/66/15/1128826615.db2.gz FBCZNNYCDQHNCJ-UHFFFAOYSA-N 0 1 288.416 3.742 20 0 CHADMN C[C@H]1CCCCCN1Cc1nc(CCc2ccccc2)no1 ZINC000075744588 1119177352 /nfs/dbraw/zinc/17/73/52/1119177352.db2.gz OXIDBLZYXDBWOT-HNNXBMFYSA-N 0 1 299.418 3.619 20 0 CHADMN CCCCCN(Cc1nc(CC(F)(F)F)no1)C(C)C ZINC000075623916 1119178262 /nfs/dbraw/zinc/17/82/62/1119178262.db2.gz RQHXWAYISIGNGD-UHFFFAOYSA-N 0 1 293.333 3.575 20 0 CHADMN CCn1ccnc1C[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000075886485 1119179427 /nfs/dbraw/zinc/17/94/27/1119179427.db2.gz YALBBUYOZKMDIP-QZTJIDSGSA-N 0 1 297.446 3.980 20 0 CHADMN CCc1nnc(C[N@@H+](C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)o1 ZINC000075886500 1119179905 /nfs/dbraw/zinc/17/99/05/1119179905.db2.gz FQJYDYNZZFMYEY-CVEARBPZSA-N 0 1 299.418 3.709 20 0 CHADMN CCc1nnc(CN(C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)o1 ZINC000075886500 1119179906 /nfs/dbraw/zinc/17/99/06/1119179906.db2.gz FQJYDYNZZFMYEY-CVEARBPZSA-N 0 1 299.418 3.709 20 0 CHADMN CCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1C ZINC000075703263 1119180054 /nfs/dbraw/zinc/18/00/54/1119180054.db2.gz FLPFYPSIYOXJAF-LBPRGKRZSA-N 0 1 282.815 3.707 20 0 CHADMN Cc1nc(C)c(CNCCOc2ccc(C(C)C)cc2)o1 ZINC000628207371 1128827638 /nfs/dbraw/zinc/82/76/38/1128827638.db2.gz SVTJIRUCICBFKQ-UHFFFAOYSA-N 0 1 288.391 3.583 20 0 CHADMN Cc1nc(C)c(CNCc2ccc([C@@H]3C[C@H]3C)o2)s1 ZINC000076866798 1119188538 /nfs/dbraw/zinc/18/85/38/1119188538.db2.gz IIBAWIBUTZGSKL-NOZJJQNGSA-N 0 1 276.405 3.766 20 0 CHADMN CCc1cccc(CNCc2cccnc2N2CCCC2)c1 ZINC000657572102 1119189869 /nfs/dbraw/zinc/18/98/69/1119189869.db2.gz HPIUPZVCLQSVHM-UHFFFAOYSA-N 0 1 295.430 3.534 20 0 CHADMN Cc1ccc(F)c(CN[C@H](CCCO)c2ccccc2)c1 ZINC000077466498 1119193160 /nfs/dbraw/zinc/19/31/60/1119193160.db2.gz XQKGXXBOWJDEAI-GOSISDBHSA-N 0 1 287.378 3.738 20 0 CHADMN COc1cccc(OC)c1CNCc1cccc(C2CC2)c1 ZINC000657587676 1119199029 /nfs/dbraw/zinc/19/90/29/1119199029.db2.gz ZPEVCADYDGOSEX-UHFFFAOYSA-N 0 1 297.398 3.871 20 0 CHADMN Cc1cccc2c1CC[C@H]2NCc1cnc2ccccc2n1 ZINC000628213177 1128828848 /nfs/dbraw/zinc/82/88/48/1128828848.db2.gz ALXHURQWZDNRHG-QGZVFWFLSA-N 0 1 289.382 3.715 20 0 CHADMN COc1ccc(CN[C@H](c2ccccc2F)C(C)C)cn1 ZINC000657614960 1119207421 /nfs/dbraw/zinc/20/74/21/1119207421.db2.gz LKJIFJVXOXELSC-KRWDZBQOSA-N 0 1 288.366 3.716 20 0 CHADMN C[C@H](N[C@H]1CCC[C@@H](C2CC2)C1)c1nc(C(C)(C)C)no1 ZINC000237532905 1119213545 /nfs/dbraw/zinc/21/35/45/1119213545.db2.gz PQTDOQBUVCWHJC-YUTCNCBUSA-N 0 1 291.439 3.987 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@@H]1NCc1cnc2ccccc2n1 ZINC000628211994 1128829492 /nfs/dbraw/zinc/82/94/92/1128829492.db2.gz WLPKQALDWRDFFT-BFUOFWGJSA-N 0 1 289.382 3.653 20 0 CHADMN CCc1noc(C)c1CN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000119493172 1119214189 /nfs/dbraw/zinc/21/41/89/1119214189.db2.gz XGJCADKHBKSRDH-SJKOYZFVSA-N 0 1 270.376 3.738 20 0 CHADMN COc1ccc(CN2CC[C@H]2C(C)C)c(Cl)c1OC ZINC000342862259 1119215438 /nfs/dbraw/zinc/21/54/38/1119215438.db2.gz QZWRCLZEGKQGAQ-LBPRGKRZSA-N 0 1 283.799 3.588 20 0 CHADMN COCc1csc(CNCc2cc(F)cc(Cl)c2)c1 ZINC000657659543 1119228400 /nfs/dbraw/zinc/22/84/00/1119228400.db2.gz LPZAWKMMSLZRFJ-UHFFFAOYSA-N 0 1 299.798 3.977 20 0 CHADMN COCc1csc(CNCc2cc(Cl)ccc2F)c1 ZINC000657659933 1119229969 /nfs/dbraw/zinc/22/99/69/1119229969.db2.gz XTWVJIHFJMOOAC-UHFFFAOYSA-N 0 1 299.798 3.977 20 0 CHADMN Cc1cc(Cl)cc(CNCc2c(C3CC3)cnn2C)c1 ZINC000657663247 1119231518 /nfs/dbraw/zinc/23/15/18/1119231518.db2.gz GAGHCXWGNHAICM-UHFFFAOYSA-N 0 1 289.810 3.549 20 0 CHADMN CC[N@@H+](Cc1c(C)n[nH]c1C)[C@@H](C)c1cccc(OC)c1 ZINC000120166353 1119231841 /nfs/dbraw/zinc/23/18/41/1119231841.db2.gz UCHCHJSQRCICKX-AWEZNQCLSA-N 0 1 287.407 3.618 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)CC(C)C)C3)[nH]c2c1 ZINC000120203053 1119232685 /nfs/dbraw/zinc/23/26/85/1119232685.db2.gz BLBVZASYMLZXPK-CQSZACIVSA-N 0 1 299.418 3.623 20 0 CHADMN CC[C@H](CNCc1cnc(C)o1)Oc1ccccc1Cl ZINC000628227535 1128830877 /nfs/dbraw/zinc/83/08/77/1128830877.db2.gz JRCJXSHRYGEDNR-GFCCVEGCSA-N 0 1 294.782 3.584 20 0 CHADMN C[C@]1(CNCc2c(F)cccc2Cl)CC1(F)F ZINC000657669722 1119236307 /nfs/dbraw/zinc/23/63/07/1119236307.db2.gz PCRRSXBJTJMTHE-LLVKDONJSA-N 0 1 263.690 3.614 20 0 CHADMN C(=Cc1ccccc1)c1n[nH]c(SCc2cccnc2)n1 ZINC000078901215 1119258624 /nfs/dbraw/zinc/25/86/24/1119258624.db2.gz FFMWTLMGLBHALT-CMDGGOBGSA-N 0 1 294.383 3.662 20 0 CHADMN CC(C)[C@H](NCc1csc(N(C)C)n1)c1ccccc1 ZINC000091366542 1119263585 /nfs/dbraw/zinc/26/35/85/1119263585.db2.gz XWPNIOHPVKQTSI-HNNXBMFYSA-N 0 1 289.448 3.696 20 0 CHADMN C[C@@H]1C[C@@H](c2cccnc2)N(Cc2scnc2C2CC2)C1 ZINC000426155419 1119269794 /nfs/dbraw/zinc/26/97/94/1119269794.db2.gz XLCGPGVNLKXCBK-DOMZBBRYSA-N 0 1 299.443 3.999 20 0 CHADMN C[C@@H]1C[C@H](c2cccnc2)N(Cc2scnc2C2CC2)C1 ZINC000426155420 1119270191 /nfs/dbraw/zinc/27/01/91/1119270191.db2.gz XLCGPGVNLKXCBK-IUODEOHRSA-N 0 1 299.443 3.999 20 0 CHADMN Cc1ccc2nc(CNC(=O)[C@@]3(C)CC=C(C)CC3)[nH]c2c1 ZINC000611740364 1119274489 /nfs/dbraw/zinc/27/44/89/1119274489.db2.gz JCVPHZWQMJFMMB-SFHVURJKSA-N 0 1 297.402 3.624 20 0 CHADMN Cn1ncc(C2CCC2)c1CNCc1cccc(C2CC2)c1 ZINC000657722606 1119280128 /nfs/dbraw/zinc/28/01/28/1119280128.db2.gz XERSSMJWNFRUDI-UHFFFAOYSA-N 0 1 295.430 3.855 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H]2CCCc3cccnc32)cc1 ZINC000091661921 1119280313 /nfs/dbraw/zinc/28/03/13/1119280313.db2.gz HWIWZEQASCSYJM-CXAGYDPISA-N 0 1 282.387 3.818 20 0 CHADMN Cc1cc(C[N@@H+]2CC[C@](C(=O)[O-])(C(C)C)C2)ccc1Cl ZINC000901465713 1128834641 /nfs/dbraw/zinc/83/46/41/1128834641.db2.gz YBWQXXHTLGJKLI-MRXNPFEDSA-N 0 1 295.810 3.581 20 0 CHADMN Cc1ncc(CN[C@H](c2ccc(F)cc2)C(C)C)o1 ZINC000628200659 1119285766 /nfs/dbraw/zinc/28/57/66/1119285766.db2.gz VULDFXNBJJOUHT-HNNXBMFYSA-N 0 1 262.328 3.609 20 0 CHADMN Cn1ccc(CNCc2ccc(Cl)cc2Cl)c1 ZINC000343041245 1119288566 /nfs/dbraw/zinc/28/85/66/1119288566.db2.gz XGODZMQWYURTCW-UHFFFAOYSA-N 0 1 269.175 3.622 20 0 CHADMN Cc1ncc(CN[C@@H]2CCCOc3cc(C)ccc32)s1 ZINC000123662387 1119300689 /nfs/dbraw/zinc/30/06/89/1119300689.db2.gz BXRKDSDUUXKKJR-OAHLLOKOSA-N 0 1 288.416 3.763 20 0 CHADMN CCc1nc2c(s1)[C@H](NCc1cnc(C)s1)CCC2 ZINC000123704791 1119301322 /nfs/dbraw/zinc/30/13/22/1119301322.db2.gz FVBPBTNVXLFASP-LLVKDONJSA-N 0 1 293.461 3.638 20 0 CHADMN Cc1ccc(CN2CCSC[C@@H]2c2ccccc2)o1 ZINC000349837412 1119301796 /nfs/dbraw/zinc/30/17/96/1119301796.db2.gz DNQCZNJWHGKALT-MRXNPFEDSA-N 0 1 273.401 3.878 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2ccc(F)cc2N(C)C)s1 ZINC000123738727 1119302166 /nfs/dbraw/zinc/30/21/66/1119302166.db2.gz OBQQVJKSAVTBRY-JTQLQIEISA-N 0 1 293.411 3.507 20 0 CHADMN CCN1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000148542580 1119306614 /nfs/dbraw/zinc/30/66/14/1119306614.db2.gz XFBLFGLXMJCTIB-UHFFFAOYSA-N 0 1 293.625 3.789 20 0 CHADMN CC1=CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000535965717 1119316646 /nfs/dbraw/zinc/31/66/46/1119316646.db2.gz HENAXGOYZUORAV-UHFFFAOYSA-N 0 1 255.283 3.857 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cc(C)c(F)c(C)c3)cc2[nH]1 ZINC000343124361 1119320389 /nfs/dbraw/zinc/32/03/89/1119320389.db2.gz ZOLFGKVILQTFGM-UHFFFAOYSA-N 0 1 297.333 3.880 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@@H](C)c2c(C)noc2C)s1 ZINC000092327682 1119327993 /nfs/dbraw/zinc/32/79/93/1119327993.db2.gz QIKRVJMQTLNLJN-CBAPKCEASA-N 0 1 279.409 3.777 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@H]1CCc2ccccc21 ZINC000092327258 1119328345 /nfs/dbraw/zinc/32/83/45/1119328345.db2.gz PAKVAEWIMAPTGW-BONVTDFDSA-N 0 1 256.349 3.630 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1ccsc1 ZINC000092328341 1119328888 /nfs/dbraw/zinc/32/88/88/1119328888.db2.gz IJMPKHXBKDPCJS-DTWKUNHWSA-N 0 1 250.367 3.765 20 0 CHADMN CC[C@@H](N[C@@H](CC)COC)c1nc(C(F)(F)F)cs1 ZINC000155270443 1119330908 /nfs/dbraw/zinc/33/09/08/1119330908.db2.gz MPJIKXVTFZBVEP-DTWKUNHWSA-N 0 1 296.358 3.628 20 0 CHADMN C[C@H]1CC[C@H](C)[N@@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000155292811 1119331056 /nfs/dbraw/zinc/33/10/56/1119331056.db2.gz LSVDOFGDYCSYAN-STQMWFEESA-N 0 1 287.432 3.826 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2nnc(-c3ccccc3)s2)C1 ZINC000155292811 1119331059 /nfs/dbraw/zinc/33/10/59/1119331059.db2.gz LSVDOFGDYCSYAN-STQMWFEESA-N 0 1 287.432 3.826 20 0 CHADMN Cc1ncsc1CN(Cc1ccccc1)C1CC1 ZINC000125435444 1119332368 /nfs/dbraw/zinc/33/23/68/1119332368.db2.gz PYWWTVWQVXHSAX-UHFFFAOYSA-N 0 1 258.390 3.616 20 0 CHADMN COc1cc([C@@H](C)N[C@@H]2CCCc3ccc(C)cc32)on1 ZINC000926474474 1119332676 /nfs/dbraw/zinc/33/26/76/1119332676.db2.gz QGECOKYCXYEBOD-IUODEOHRSA-N 0 1 286.375 3.720 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1csc3ccccc13)C2 ZINC001140638895 1119332903 /nfs/dbraw/zinc/33/29/03/1119332903.db2.gz DMQIMWWTLQSLNL-BBRMVZONSA-N 0 1 273.401 3.655 20 0 CHADMN COc1ccncc1CN[C@@H](C)c1c(C)oc2ccccc21 ZINC000926479551 1119340248 /nfs/dbraw/zinc/34/02/48/1119340248.db2.gz DZCZRYJTTYVWBF-LBPRGKRZSA-N 0 1 296.370 3.996 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000583327111 1119340661 /nfs/dbraw/zinc/34/06/61/1119340661.db2.gz AJNCXSNWNZVUAM-CQSZACIVSA-N 0 1 291.391 3.695 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647286315 1119341136 /nfs/dbraw/zinc/34/11/36/1119341136.db2.gz KOUHLCRLHVRIBI-KDOFPFPSSA-N 0 1 295.430 3.866 20 0 CHADMN c1ccc([C@H]2CN([C@H]3C=CCCCCC3)CCO2)cc1 ZINC000583329030 1119341876 /nfs/dbraw/zinc/34/18/76/1119341876.db2.gz UUCQSCQRBRVNPQ-ZWKOTPCHSA-N 0 1 271.404 3.949 20 0 CHADMN Cn1c2ccccc2n(CN2CCC[C@@H]2C2CC2)c1=S ZINC000728563327 1119342600 /nfs/dbraw/zinc/34/26/00/1119342600.db2.gz RREKICMEGQQPKG-CYBMUJFWSA-N 0 1 287.432 3.541 20 0 CHADMN Cc1c[nH]c(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)n1 ZINC000628264577 1128839639 /nfs/dbraw/zinc/83/96/39/1128839639.db2.gz UAIZFGFMJCLZBB-BJWYYQGGSA-N 0 1 281.403 3.629 20 0 CHADMN Cc1nccc(N2CCC=C(c3ccco3)C2)c1Cl ZINC000343218240 1119354054 /nfs/dbraw/zinc/35/40/54/1119354054.db2.gz BPLKBWXEBSPBJD-UHFFFAOYSA-N 0 1 274.751 3.930 20 0 CHADMN OCC[C@@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 ZINC000093107454 1119355668 /nfs/dbraw/zinc/35/56/68/1119355668.db2.gz FMUCDMCXGFCXIY-NSHDSACASA-N 0 1 288.218 3.588 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc(C2CC2)c1)c1ccnnc1 ZINC000926493631 1119359078 /nfs/dbraw/zinc/35/90/78/1119359078.db2.gz WWRGVIKGLULRHK-STQMWFEESA-N 0 1 267.376 3.766 20 0 CHADMN CC1(C)C[C@@]1(C)NCc1coc(-c2ccccc2)n1 ZINC000657762298 1119361803 /nfs/dbraw/zinc/36/18/03/1119361803.db2.gz ZWHBCCZUWWPLMQ-MRXNPFEDSA-N 0 1 256.349 3.620 20 0 CHADMN Clc1cccc(Cl)c1[C@@H](N[C@@H]1CCOC1)C1CC1 ZINC000583469493 1119362439 /nfs/dbraw/zinc/36/24/39/1119362439.db2.gz PFVHKLWMVZVCAH-YGRLFVJLSA-N 0 1 286.202 3.823 20 0 CHADMN Cc1cccc(-c2noc(C[N@@H+]3C[C@@H](C)CC3(C)C)n2)c1 ZINC000472287973 1119362869 /nfs/dbraw/zinc/36/28/69/1119362869.db2.gz PXHUFMXMGOAOMP-ZDUSSCGKSA-N 0 1 285.391 3.665 20 0 CHADMN Cc1ccc2nc(N)n(-c3cccc(OC(C)C)c3F)c2c1 ZINC001212317848 1128840726 /nfs/dbraw/zinc/84/07/26/1128840726.db2.gz GRAMZTWPTYLXSG-UHFFFAOYSA-N 0 1 299.349 3.842 20 0 CHADMN CCSCCN[C@H](c1ccco1)c1ccccc1 ZINC000364839696 1119364557 /nfs/dbraw/zinc/36/45/57/1119364557.db2.gz NLCPTNHDPJIVJA-HNNXBMFYSA-N 0 1 261.390 3.712 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1CNCc1nccc(C(F)F)n1 ZINC000628281910 1128841308 /nfs/dbraw/zinc/84/13/08/1128841308.db2.gz FRHXUKUWFORGJW-VXGBXAGGSA-N 0 1 283.366 3.720 20 0 CHADMN Cc1ccc([C@@H](C)CNCc2nccc(C(F)F)n2)cc1 ZINC000628282002 1128841854 /nfs/dbraw/zinc/84/18/54/1128841854.db2.gz JZGBABOLGBCJTK-LBPRGKRZSA-N 0 1 291.345 3.616 20 0 CHADMN c1ccc2nc(CN3CC(C4CCCCC4)C3)cnc2c1 ZINC000628306776 1128843922 /nfs/dbraw/zinc/84/39/22/1128843922.db2.gz VSNHGJAYRIGWDY-UHFFFAOYSA-N 0 1 281.403 3.642 20 0 CHADMN CCC(CC)N(CC(C)C)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343388212 1119405933 /nfs/dbraw/zinc/40/59/33/1119405933.db2.gz JYTSSHAORLEJTD-UHFFFAOYSA-N 0 1 277.412 3.574 20 0 CHADMN Cc1ncc(CN([C@H](C)c2ccccc2)C2CC2)o1 ZINC000628130953 1119417248 /nfs/dbraw/zinc/41/72/48/1119417248.db2.gz NPPKAJWYXAMJNH-GFCCVEGCSA-N 0 1 256.349 3.709 20 0 CHADMN COc1ccccc1OC[C@H](C)CNc1cc(C)ccn1 ZINC000343440298 1119421838 /nfs/dbraw/zinc/42/18/38/1119421838.db2.gz NHCLWFYVZCOXKX-CQSZACIVSA-N 0 1 286.375 3.526 20 0 CHADMN COc1cc(C)nc(CN[C@H]2CCCc3c(C)cccc32)c1 ZINC000657799635 1119422342 /nfs/dbraw/zinc/42/23/42/1119422342.db2.gz WVTHXVWQDJOSDX-IBGZPJMESA-N 0 1 296.414 3.874 20 0 CHADMN CC[C@@H](Cc1ccccc1)[N@@H+](CC)Cc1snnc1C ZINC000583874614 1119427585 /nfs/dbraw/zinc/42/75/85/1119427585.db2.gz AIJCTTAXPMYQGF-HNNXBMFYSA-N 0 1 289.448 3.690 20 0 CHADMN Cc1ncc(CN(Cc2ccc(F)cc2)C(C)C)o1 ZINC000628135354 1119429540 /nfs/dbraw/zinc/42/95/40/1119429540.db2.gz UCGBZEMRKQICND-UHFFFAOYSA-N 0 1 262.328 3.533 20 0 CHADMN COc1cccc(CNCc2ccc(Cl)o2)c1C ZINC000657804270 1119430666 /nfs/dbraw/zinc/43/06/66/1119430666.db2.gz INEAUEPZPMTODO-UHFFFAOYSA-N 0 1 265.740 3.540 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1nc(C2CC2)cs1 ZINC000343516345 1119439975 /nfs/dbraw/zinc/43/99/75/1119439975.db2.gz VKISRRVHLHNFOU-QWRGUYRKSA-N 0 1 250.411 3.783 20 0 CHADMN Cc1ccccc1C1(N[C@@H](C)c2cncs2)CC1 ZINC000647316133 1119439988 /nfs/dbraw/zinc/43/99/88/1119439988.db2.gz RFFCVEBOCKSJRW-LBPRGKRZSA-N 0 1 258.390 3.791 20 0 CHADMN FC(F)(F)C[C@H]1CCCN(Cc2cnc(C3CC3)o2)C1 ZINC000628315669 1128846199 /nfs/dbraw/zinc/84/61/99/1128846199.db2.gz RWKVXEUKARKSIW-SNVBAGLBSA-N 0 1 288.313 3.716 20 0 CHADMN C[C@@H](NCc1ccc(Cl)cc1)c1cncs1 ZINC000132058387 1119440967 /nfs/dbraw/zinc/44/09/67/1119440967.db2.gz DOMLZWMEELJSKD-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN C[C@@H](N[C@H]1CCCN(C)c2ccccc21)c1ccns1 ZINC000926542972 1119447130 /nfs/dbraw/zinc/44/71/30/1119447130.db2.gz ZUWBXAUEVRTOJU-OCCSQVGLSA-N 0 1 287.432 3.765 20 0 CHADMN Cc1ncc(CN(C)[C@@H](C)CSc2ccccc2)o1 ZINC000628323248 1128847563 /nfs/dbraw/zinc/84/75/63/1128847563.db2.gz IIUCYVPQJWKOQV-LBPRGKRZSA-N 0 1 276.405 3.596 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1nc(C2CC2)cs1 ZINC000343541903 1119448578 /nfs/dbraw/zinc/44/85/78/1119448578.db2.gz VDRKPGHDRWXYSI-WDEREUQCSA-N 0 1 250.411 3.641 20 0 CHADMN C[C@H](O)[C@@H](NCc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000657816722 1119453140 /nfs/dbraw/zinc/45/31/40/1119453140.db2.gz KTOKERSXNIUDHF-MEDUHNTESA-N 0 1 293.769 3.691 20 0 CHADMN Cc1cc(C)c(CNCc2ccc(Cl)cc2F)cn1 ZINC000397476501 1119457463 /nfs/dbraw/zinc/45/74/63/1119457463.db2.gz ASGFXDYQXDWMPK-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN O=C(/C=C\c1ccccc1)Nc1cccc(Cl)c1O ZINC000255583106 1119465567 /nfs/dbraw/zinc/46/55/67/1119465567.db2.gz IPSVWZDVDXAEHJ-KTKRTIGZSA-N 0 1 273.719 3.698 20 0 CHADMN FC(F)(F)c1cccc(CN[C@H]2CCCn3nccc32)c1 ZINC000657822558 1119465834 /nfs/dbraw/zinc/46/58/34/1119465834.db2.gz VKBTUCAKPFMLNC-ZDUSSCGKSA-N 0 1 295.308 3.527 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnn(C)c1C)c1ccccc1F ZINC000168755941 1119476006 /nfs/dbraw/zinc/47/60/06/1119476006.db2.gz DAYYZPALCKFVEG-BDJLRTHQSA-N 0 1 275.371 3.670 20 0 CHADMN CCCC(=O)Nc1ccc(CN[C@@H](C)c2ccco2)cc1 ZINC000158913260 1119476197 /nfs/dbraw/zinc/47/61/97/1119476197.db2.gz XQANJAWHWISDSJ-ZDUSSCGKSA-N 0 1 286.375 3.869 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCCC1CCCC1 ZINC000248515452 1119484257 /nfs/dbraw/zinc/48/42/57/1119484257.db2.gz GBEJZUBMTLDYOG-JYJNAYRXSA-N 0 1 279.424 3.675 20 0 CHADMN Cc1ncc(CN2C[C@@H](C)C[C@@H]2c2ccccc2F)o1 ZINC000628180172 1119490635 /nfs/dbraw/zinc/49/06/35/1119490635.db2.gz DWVPHRLMUTUZOJ-MEDUHNTESA-N 0 1 274.339 3.705 20 0 CHADMN c1cc2cc(CN3CCOC4(CCCCC4)C3)ccc2[nH]1 ZINC000628183853 1119492909 /nfs/dbraw/zinc/49/29/09/1119492909.db2.gz QNUXNNFBKQTXDU-UHFFFAOYSA-N 0 1 284.403 3.703 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccccc3)[C@H](C)C2)[nH]c1C ZINC000628183526 1119494728 /nfs/dbraw/zinc/49/47/28/1119494728.db2.gz FOIFIJSPTHUIBX-CXAGYDPISA-N 0 1 283.419 3.652 20 0 CHADMN C[C@@H](c1nc(-c2ccccc2)no1)N(C)CCC1CC1 ZINC000135291706 1119497115 /nfs/dbraw/zinc/49/71/15/1119497115.db2.gz IFOGZWXAZOAYGH-LBPRGKRZSA-N 0 1 271.364 3.530 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H]1CCCn2nccc21 ZINC000657841448 1119503756 /nfs/dbraw/zinc/50/37/56/1119503756.db2.gz GJUJXSUYZQCPLS-GJZGRUSLSA-N 0 1 299.418 3.923 20 0 CHADMN CN(Cc1cccc(O)c1)Cc1cc(F)cc2cccnc21 ZINC000080920689 1119505748 /nfs/dbraw/zinc/50/57/48/1119505748.db2.gz DJGRPMZSODBWRK-UHFFFAOYSA-N 0 1 296.345 3.712 20 0 CHADMN Cc1[nH]c(SCCC(C)(C)O)nc1Cc1ccccc1 ZINC000081275367 1119512110 /nfs/dbraw/zinc/51/21/10/1119512110.db2.gz JQELIYUXLLAWDZ-UHFFFAOYSA-N 0 1 290.432 3.562 20 0 CHADMN C[C@@H]1CC[C@H](c2nnc(CCC3CCCCC3)o2)NC1 ZINC001217701267 1119518894 /nfs/dbraw/zinc/51/88/94/1119518894.db2.gz CNIDGGYVZMNSMI-TZMCWYRMSA-N 0 1 277.412 3.643 20 0 CHADMN COc1ccc(CN(C)Cc2cccc(O)c2)cc1Cl ZINC000343775896 1119521013 /nfs/dbraw/zinc/52/10/13/1119521013.db2.gz MXAXLFFWMHFKRH-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000378718149 1119523062 /nfs/dbraw/zinc/52/30/62/1119523062.db2.gz DDNNQVFJIWAQBR-DZGCQCFKSA-N 0 1 291.366 3.534 20 0 CHADMN COC(=O)c1ccc(CNCc2ccc3ccccc3c2)o1 ZINC000343790425 1119534465 /nfs/dbraw/zinc/53/44/65/1119534465.db2.gz ARNMGUQULTZAOV-UHFFFAOYSA-N 0 1 295.338 3.509 20 0 CHADMN COC[C@@H](N[C@H]1CCc2c1cccc2OC)c1ccccc1 ZINC000089668761 1119540611 /nfs/dbraw/zinc/54/06/11/1119540611.db2.gz AHYJSUBXEZPJJC-ZWKOTPCHSA-N 0 1 297.398 3.660 20 0 CHADMN CC1(C)C[N@@H+](CCC(F)(F)F)Cc2ccccc2O1 ZINC000584433829 1119543619 /nfs/dbraw/zinc/54/36/19/1119543619.db2.gz RJTDZEARIPUOFW-UHFFFAOYSA-N 0 1 273.298 3.612 20 0 CHADMN Clc1ccsc1CN1CCC[C@@H](c2ccncn2)C1 ZINC000375753860 1119551435 /nfs/dbraw/zinc/55/14/35/1119551435.db2.gz AUHGBTWATXBNLC-LLVKDONJSA-N 0 1 293.823 3.571 20 0 CHADMN CC(C)n1ncc2cc(CN3CC[C@@H](C)C3)c(Cl)nc21 ZINC000092471265 1119562705 /nfs/dbraw/zinc/56/27/05/1119562705.db2.gz JZQLKBZPQQQMNS-LLVKDONJSA-N 0 1 292.814 3.507 20 0 CHADMN CN(CCC(F)(F)F)Cc1cc2cc(F)ccc2o1 ZINC000092477958 1119563357 /nfs/dbraw/zinc/56/33/57/1119563357.db2.gz GCBJWVHECNMWAZ-UHFFFAOYSA-N 0 1 275.245 3.956 20 0 CHADMN Clc1ccc(CN2CC[C@H](Nc3ccccc3)C2)o1 ZINC000092757588 1119566424 /nfs/dbraw/zinc/56/64/24/1119566424.db2.gz BBMVKGNDTPSVAN-ZDUSSCGKSA-N 0 1 276.767 3.619 20 0 CHADMN CCc1ncc(CN2CCC(OC3CCCC3)CC2)s1 ZINC000092758532 1119566622 /nfs/dbraw/zinc/56/66/22/1119566622.db2.gz PYLTUTIEXDACOA-UHFFFAOYSA-N 0 1 294.464 3.629 20 0 CHADMN CC[C@H](O)CN(Cc1ccc(Cl)o1)Cc1ccccc1 ZINC000093687781 1119571489 /nfs/dbraw/zinc/57/14/89/1119571489.db2.gz ZFWJADIBXGMJER-AWEZNQCLSA-N 0 1 293.794 3.706 20 0 CHADMN CCN(CCc1nccs1)Cc1cnc(C2CC2)s1 ZINC000093764695 1119571575 /nfs/dbraw/zinc/57/15/75/1119571575.db2.gz JZXDFPXDQDBWBT-UHFFFAOYSA-N 0 1 293.461 3.542 20 0 CHADMN COc1ccsc1CN1CCC[C@@H]1c1cccc(C)n1 ZINC000093445035 1119574651 /nfs/dbraw/zinc/57/46/51/1119574651.db2.gz NTCYGQQVLPUZEX-CQSZACIVSA-N 0 1 288.416 3.797 20 0 CHADMN Cc1cc(-c2noc(C[C@@H]3C=CCCC3)n2)cc2nc[nH]c21 ZINC000685315633 1119578755 /nfs/dbraw/zinc/57/87/55/1119578755.db2.gz AXAHDXBBYNPGRS-GFCCVEGCSA-N 0 1 294.358 3.820 20 0 CHADMN CCC[C@@H](C)[N@@H+](C)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000140507306 1119579228 /nfs/dbraw/zinc/57/92/28/1119579228.db2.gz OXXWDRUFLHQNQH-CYBMUJFWSA-N 0 1 288.391 3.971 20 0 CHADMN CCC[C@@H](C)N(C)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000140507306 1119579229 /nfs/dbraw/zinc/57/92/29/1119579229.db2.gz OXXWDRUFLHQNQH-CYBMUJFWSA-N 0 1 288.391 3.971 20 0 CHADMN COC1CCN([C@H](C)c2ccccc2Br)CC1 ZINC000139674673 1119579701 /nfs/dbraw/zinc/57/97/01/1119579701.db2.gz IFXRYQWOTWCQLL-LLVKDONJSA-N 0 1 298.224 3.621 20 0 CHADMN CCN(Cc1c(C)cnn1C)Cc1ccc2ccccc2c1 ZINC000685410794 1119603135 /nfs/dbraw/zinc/60/31/35/1119603135.db2.gz CAVUMZILTNQDEQ-UHFFFAOYSA-N 0 1 293.414 3.904 20 0 CHADMN CN(Cc1ccc(F)cc1)Cc1ccccc1OC1CC1 ZINC000685416956 1119604586 /nfs/dbraw/zinc/60/45/86/1119604586.db2.gz GKRSGOUQGLUQAW-UHFFFAOYSA-N 0 1 285.362 3.999 20 0 CHADMN C[C@@H](CNCc1ccon1)c1ccc(C(F)(F)F)cc1 ZINC000685425642 1119606345 /nfs/dbraw/zinc/60/63/45/1119606345.db2.gz AIRJHGQZTNWADM-JTQLQIEISA-N 0 1 284.281 3.587 20 0 CHADMN CCn1nc(CN2CCC3(CCC3)CC2)c2ccccc21 ZINC000685444199 1119608473 /nfs/dbraw/zinc/60/84/73/1119608473.db2.gz LFDBCSSUTXZDSF-UHFFFAOYSA-N 0 1 283.419 3.822 20 0 CHADMN Cc1ccc([C@@H](N[C@H](c2nccn2C)C2CC2)C2CC2)cc1 ZINC000685439541 1119608681 /nfs/dbraw/zinc/60/86/81/1119608681.db2.gz RDQQIYGCQQSMNY-MSOLQXFVSA-N 0 1 295.430 3.921 20 0 CHADMN CCC(CC)c1cc(CN[C@H](C)C2(OC)CCC2)on1 ZINC000657890835 1119609726 /nfs/dbraw/zinc/60/97/26/1119609726.db2.gz QOTMPBUNIDCFDD-GFCCVEGCSA-N 0 1 280.412 3.625 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1ccc(N(C)CC)nc1 ZINC000685470060 1119612058 /nfs/dbraw/zinc/61/20/58/1119612058.db2.gz NBGKEHOZDGIPOD-KRWDZBQOSA-N 0 1 298.434 3.516 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@H](C3CC3)C2)s1 ZINC000685475946 1119613054 /nfs/dbraw/zinc/61/30/54/1119613054.db2.gz DBXBNFBVBWDDPJ-ZDUSSCGKSA-N 0 1 264.438 3.889 20 0 CHADMN CCOc1ccc(CN2CCCC(F)(F)CC2)cc1F ZINC000628422060 1128857893 /nfs/dbraw/zinc/85/78/93/1128857893.db2.gz KUHPSMJLYSMGFM-UHFFFAOYSA-N 0 1 287.325 3.846 20 0 CHADMN Brc1ccc(CN2CCC[C@@H](C3CC3)C2)o1 ZINC000685476765 1119613792 /nfs/dbraw/zinc/61/37/92/1119613792.db2.gz ZIWQDKFEROKHHI-LLVKDONJSA-N 0 1 284.197 3.664 20 0 CHADMN CN(Cc1cc(-c2ccco2)on1)C1Cc2ccccc2C1 ZINC000141209872 1119620745 /nfs/dbraw/zinc/62/07/45/1119620745.db2.gz OJPYNXPMEVEPBB-UHFFFAOYSA-N 0 1 294.354 3.534 20 0 CHADMN Cc1cc([C@H](C)NCc2cnn(C(C)C)c2)c(C)o1 ZINC000171840960 1119620809 /nfs/dbraw/zinc/62/08/09/1119620809.db2.gz SCXRSPXPBIQEST-LBPRGKRZSA-N 0 1 261.369 3.525 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H](c2ccccc2)C2CC2)c2nccn21 ZINC000294261893 1119624907 /nfs/dbraw/zinc/62/49/07/1119624907.db2.gz XJPFLXQMGDQDCH-DAXOMENPSA-N 0 1 267.376 3.630 20 0 CHADMN O=C(CC/C=C\c1ccccc1)Nc1ccc2nc[nH]c2c1 ZINC000511311229 1119634336 /nfs/dbraw/zinc/63/43/36/1119634336.db2.gz ZRZQUPCYKDUQLV-YWEYNIOJSA-N 0 1 291.354 3.995 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](C)c1cc2ccccc2s1 ZINC000685615461 1119638376 /nfs/dbraw/zinc/63/83/76/1119638376.db2.gz GNXFZYGSIONZGO-NSHDSACASA-N 0 1 271.389 3.784 20 0 CHADMN Cc1cn[nH]c1CN[C@H](c1ccccc1)c1cccc(F)c1 ZINC000685618031 1119639511 /nfs/dbraw/zinc/63/95/11/1119639511.db2.gz OZTKVBOGUPVFOA-GOSISDBHSA-N 0 1 295.361 3.736 20 0 CHADMN Cc1occc1CN[C@H](C)c1nccc2ccccc21 ZINC000685645717 1119643888 /nfs/dbraw/zinc/64/38/88/1119643888.db2.gz IFAKJDMVWQYDNO-GFCCVEGCSA-N 0 1 266.344 3.987 20 0 CHADMN Cc1nccc(NCCSC(C)(C)C)c1Cl ZINC000309691701 1119649246 /nfs/dbraw/zinc/64/92/46/1119649246.db2.gz JPOWLSHOBRJURY-UHFFFAOYSA-N 0 1 258.818 3.987 20 0 CHADMN COc1ccc(CN[C@H]2CCSc3ccccc32)o1 ZINC000892415405 1119654503 /nfs/dbraw/zinc/65/45/03/1119654503.db2.gz GOXPUPVWEIJUIN-ZDUSSCGKSA-N 0 1 275.373 3.615 20 0 CHADMN CCOC1CCC(Nc2ccc3c(c2)nc(C)n3C)CC1 ZINC000657968392 1119656008 /nfs/dbraw/zinc/65/60/08/1119656008.db2.gz SVUBKCAYDFYRNE-UHFFFAOYSA-N 0 1 287.407 3.641 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1cc2ccncc2s1 ZINC000658027293 1119666088 /nfs/dbraw/zinc/66/60/88/1119666088.db2.gz BPEBARMQNDLCGU-GMXVVIOVSA-N 0 1 298.415 3.849 20 0 CHADMN CC(C)N(Cc1noc2c1CC(C)(C)CC2)C1CCC1 ZINC001167680853 1119678102 /nfs/dbraw/zinc/67/81/02/1119678102.db2.gz LSCPANVBYRIHRY-UHFFFAOYSA-N 0 1 276.424 3.952 20 0 CHADMN CC[C@@H](C)c1cccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000628432584 1128861923 /nfs/dbraw/zinc/86/19/23/1128861923.db2.gz JPWKHHMKKCKQLR-IUODEOHRSA-N 0 1 297.402 3.982 20 0 CHADMN COCOc1ccc(Nc2cc(C)nc3ccccc32)cc1 ZINC001211628884 1119681902 /nfs/dbraw/zinc/68/19/02/1119681902.db2.gz MCNFTKCXJKWILJ-UHFFFAOYSA-N 0 1 294.354 3.691 20 0 CHADMN COc1cccc(OC)c1CN[C@H]1CCc2c1cccc2C ZINC000658120020 1119687516 /nfs/dbraw/zinc/68/75/16/1119687516.db2.gz FFRMMMUFKQVLJE-KRWDZBQOSA-N 0 1 297.398 3.789 20 0 CHADMN Cn1cccc1CN1CCc2cc(C(F)(F)F)ccc2C1 ZINC000628458643 1128862906 /nfs/dbraw/zinc/86/29/06/1128862906.db2.gz BFPWEFDXZLEPRA-UHFFFAOYSA-N 0 1 294.320 3.602 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@H](c1ccccc1F)C(C)C ZINC000658165431 1119695241 /nfs/dbraw/zinc/69/52/41/1119695241.db2.gz DXOJUMYBWWYHQK-SJCJKPOMSA-N 0 1 289.398 3.916 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@@H](c1ccccc1F)C(C)C ZINC000658169118 1119695841 /nfs/dbraw/zinc/69/58/41/1119695841.db2.gz ZMAOPDQPCGQSLY-SUMWQHHRSA-N 0 1 287.382 3.972 20 0 CHADMN CC(C)[C@H](N[C@@H]1CCCn2nccc21)c1ccccc1F ZINC000658168340 1119696060 /nfs/dbraw/zinc/69/60/60/1119696060.db2.gz SOAFTHWIHHBJOP-WBVHZDCISA-N 0 1 287.382 3.844 20 0 CHADMN CC[C@@H](NCc1cn(CC)nn1)c1cccc2ccccc21 ZINC000658176713 1119696569 /nfs/dbraw/zinc/69/65/69/1119696569.db2.gz OWESGUGATZHDLP-GOSISDBHSA-N 0 1 294.402 3.692 20 0 CHADMN C[C@H](COc1c(F)cccc1F)N[C@@H](C)c1nccs1 ZINC000658177143 1119696598 /nfs/dbraw/zinc/69/65/98/1119696598.db2.gz CSBVBHOMUQYMAW-ZJUUUORDSA-N 0 1 298.358 3.539 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cc(COC)cs2)o1 ZINC000658209618 1119702448 /nfs/dbraw/zinc/70/24/48/1119702448.db2.gz QNBQDYGAMQOSGC-LLVKDONJSA-N 0 1 279.405 3.901 20 0 CHADMN COCc1csc(CN[C@H](C)c2ccncc2Cl)c1 ZINC000658210846 1119702535 /nfs/dbraw/zinc/70/25/35/1119702535.db2.gz XFFYBAKCPIPDLU-SNVBAGLBSA-N 0 1 296.823 3.794 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000381010748 1128863529 /nfs/dbraw/zinc/86/35/29/1128863529.db2.gz JYWHVTCFSVIXGE-UMVBOHGHSA-N 0 1 255.365 3.548 20 0 CHADMN C[C@H](NC[C@H]1CCC[C@@H](C)O1)c1nc2c(s1)CCCC2 ZINC000658221534 1119704526 /nfs/dbraw/zinc/70/45/26/1119704526.db2.gz UJWHOXGNGFBMEV-FRRDWIJNSA-N 0 1 294.464 3.630 20 0 CHADMN C[C@@H]1CCC[C@H](CN[C@@H](c2ccccc2)c2ccccn2)O1 ZINC000658221993 1119704561 /nfs/dbraw/zinc/70/45/61/1119704561.db2.gz VRCMFIPGBJNOQS-SUMDDJOVSA-N 0 1 296.414 3.718 20 0 CHADMN C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1ccsc1 ZINC000658238554 1119710426 /nfs/dbraw/zinc/71/04/26/1119710426.db2.gz KATUFOCTNLLZLF-BMIGLBTASA-N 0 1 259.374 3.792 20 0 CHADMN Cc1noc([C@@H](N[C@@H](C)CCc2ccccc2)C(C)C)n1 ZINC000168046550 1119714623 /nfs/dbraw/zinc/71/46/23/1119714623.db2.gz BTGVBQNXVCVHEQ-BBRMVZONSA-N 0 1 287.407 3.686 20 0 CHADMN CO[C@H](CN[C@@H](C)c1csc(C)n1)C1CCCCC1 ZINC000658327563 1119725905 /nfs/dbraw/zinc/72/59/05/1119725905.db2.gz ORTZAUALKSXBRG-XHDPSFHLSA-N 0 1 282.453 3.697 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2c(C)cccc21)c1ccn(C)n1 ZINC000658339258 1119727335 /nfs/dbraw/zinc/72/73/35/1119727335.db2.gz RPEUHQDBWIPGED-DLBZAZTESA-N 0 1 283.419 3.847 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@H](c1ccccc1)[C@H](C)O ZINC000658364082 1119732413 /nfs/dbraw/zinc/73/24/13/1119732413.db2.gz ZKBUIJHZSWSNHU-DOXZYTNZSA-N 0 1 299.414 3.858 20 0 CHADMN C/C=C(\C)C(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000179374631 1119732760 /nfs/dbraw/zinc/73/27/60/1119732760.db2.gz UPGGBNPEDIVHEN-SGDMMICCSA-N 0 1 278.739 3.787 20 0 CHADMN CCCCN[C@@H](c1ccccn1)c1ccccc1OC ZINC000924530675 1119740958 /nfs/dbraw/zinc/74/09/58/1119740958.db2.gz FBZXDRHEXUTPDR-QGZVFWFLSA-N 0 1 270.376 3.569 20 0 CHADMN Cc1nc(C)c(CNCc2cccc(C(C)C)c2)o1 ZINC000628240716 1119744774 /nfs/dbraw/zinc/74/47/74/1119744774.db2.gz QCMOXDHHMZJLKE-UHFFFAOYSA-N 0 1 258.365 3.705 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cnc(F)c(C)c1 ZINC000892461545 1119744896 /nfs/dbraw/zinc/74/48/96/1119744896.db2.gz HFDYNDFHBQBUJT-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN CCCNc1ccc(CN[C@H](C)c2ccoc2)cc1 ZINC000193357824 1119747789 /nfs/dbraw/zinc/74/77/89/1119747789.db2.gz HJSQZAJGWJTCAT-CYBMUJFWSA-N 0 1 258.365 3.952 20 0 CHADMN Cc1cc(CNCc2ccc(C(F)F)cc2)sn1 ZINC000404339921 1119751165 /nfs/dbraw/zinc/75/11/65/1119751165.db2.gz DZPXENLPZRRRAY-UHFFFAOYSA-N 0 1 268.332 3.679 20 0 CHADMN Cc1cc2cc(CNc3ccnc(C)c3Cl)ccc2[nH]1 ZINC000343811914 1119756514 /nfs/dbraw/zinc/75/65/14/1119756514.db2.gz SMOQJRNPECKIST-UHFFFAOYSA-N 0 1 285.778 3.867 20 0 CHADMN Cc1c[nH]c(CN2CC[C@@H](C)C3(CCCCC3)C2)n1 ZINC000628239049 1119759852 /nfs/dbraw/zinc/75/98/52/1119759852.db2.gz AJQDIVQKNNQGOJ-CYBMUJFWSA-N 0 1 261.413 3.510 20 0 CHADMN CC(C)Cc1ccc(CNCc2cccc(F)c2)cn1 ZINC000892479746 1119763706 /nfs/dbraw/zinc/76/37/06/1119763706.db2.gz MZVVKZPXWNQJCZ-UHFFFAOYSA-N 0 1 272.367 3.709 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2ccc(OC)o2)cc1 ZINC000892479776 1119764603 /nfs/dbraw/zinc/76/46/03/1119764603.db2.gz OERONSXNGDLZSO-GFCCVEGCSA-N 0 1 275.348 3.538 20 0 CHADMN c1csc([C@H](NCc2nccn2C2CC2)C2CC2)c1 ZINC000892488563 1119777496 /nfs/dbraw/zinc/77/74/96/1119777496.db2.gz PYUIICNQKREKSO-OAHLLOKOSA-N 0 1 273.405 3.520 20 0 CHADMN COc1cccc2c1CC[C@@H]2NCc1cc(F)ccc1F ZINC000151927006 1119781488 /nfs/dbraw/zinc/78/14/88/1119781488.db2.gz LABSOSASMBQYIB-INIZCTEOSA-N 0 1 289.325 3.751 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC(C3CCC3)CC2)c1 ZINC000617773561 1128868734 /nfs/dbraw/zinc/86/87/34/1128868734.db2.gz SICWZQGBAAAVDB-UHFFFAOYSA-N 0 1 297.402 3.524 20 0 CHADMN CC(C)[C@@H](C(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000511349424 1119786521 /nfs/dbraw/zinc/78/65/21/1119786521.db2.gz FATPTWLDELACNP-QGZVFWFLSA-N 0 1 293.370 3.941 20 0 CHADMN CC(C)c1cc(C(=O)N2CC(C)(C)CCC2(C)C)n[nH]1 ZINC000628531725 1128869048 /nfs/dbraw/zinc/86/90/48/1128869048.db2.gz FUADOGGAZKDCBT-UHFFFAOYSA-N 0 1 277.412 3.574 20 0 CHADMN Cc1nc(CN2CC[C@H](C(C)(C)C)C[C@@H]2C)[nH]c1C ZINC000628282021 1119790865 /nfs/dbraw/zinc/79/08/65/1119790865.db2.gz KRQLYSMDFNXILW-FZMZJTMJSA-N 0 1 263.429 3.673 20 0 CHADMN Cc1nc(CN2CC[C@@H](C(C)(C)C)C[C@H]2C)[nH]c1C ZINC000628282020 1119791312 /nfs/dbraw/zinc/79/13/12/1119791312.db2.gz KRQLYSMDFNXILW-BXUZGUMPSA-N 0 1 263.429 3.673 20 0 CHADMN CCc1ccc(N2CCN([C@@H](C)c3ccccn3)CC2)cc1 ZINC000177355271 1119798648 /nfs/dbraw/zinc/79/86/48/1119798648.db2.gz MRYDXJHVTIXEAW-INIZCTEOSA-N 0 1 295.430 3.527 20 0 CHADMN C[C@H](N[C@H]1C=CCC1)c1cc(-c2ccccc2)no1 ZINC000926689554 1119812705 /nfs/dbraw/zinc/81/27/05/1119812705.db2.gz KBLJVXILPGGSTH-JSGCOSHPSA-N 0 1 254.333 3.711 20 0 CHADMN C[C@@H]1CCC[C@H](NCc2csc(C(F)(F)F)n2)C1 ZINC000892510707 1119816736 /nfs/dbraw/zinc/81/67/36/1119816736.db2.gz RUYXWHMQWJUBKF-BDAKNGLRSA-N 0 1 278.343 3.830 20 0 CHADMN CCC[N@H+](Cc1csc(C2CC2)n1)CC1CC1 ZINC000154693661 1119827989 /nfs/dbraw/zinc/82/79/89/1119827989.db2.gz FUXWRFWHAVXQRX-UHFFFAOYSA-N 0 1 250.411 3.643 20 0 CHADMN CCCN(Cc1csc(C2CC2)n1)CC1CC1 ZINC000154693661 1119827992 /nfs/dbraw/zinc/82/79/92/1119827992.db2.gz FUXWRFWHAVXQRX-UHFFFAOYSA-N 0 1 250.411 3.643 20 0 CHADMN CCCCC1CCC(C(=O)N2CCN(CCC)CC2)CC1 ZINC000612859332 1119833113 /nfs/dbraw/zinc/83/31/13/1119833113.db2.gz URXCKUDYOPQMPQ-UHFFFAOYSA-N 0 1 294.483 3.537 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(CO)c(Cl)c2)cc1F ZINC000649437816 1128872155 /nfs/dbraw/zinc/87/21/55/1128872155.db2.gz FZCFENGERSZEFT-UHFFFAOYSA-N 0 1 293.769 3.700 20 0 CHADMN CCN(C(=O)c1cc(C)cc2c[nH]nc21)C1CC(C)(C)C1 ZINC000413986906 1119843596 /nfs/dbraw/zinc/84/35/96/1119843596.db2.gz IXMSADUPEDAYAQ-UHFFFAOYSA-N 0 1 285.391 3.522 20 0 CHADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C1CC2(CC2)C1 ZINC000613039321 1119854782 /nfs/dbraw/zinc/85/47/82/1119854782.db2.gz JLABPGKPTARQOR-UHFFFAOYSA-N 0 1 291.301 3.629 20 0 CHADMN Cc1c[nH]nc1CNCc1ccc(-c2cccc(C)c2)cc1 ZINC000685843135 1119862365 /nfs/dbraw/zinc/86/23/65/1119862365.db2.gz XRYVCANNOHVQLW-UHFFFAOYSA-N 0 1 291.398 3.983 20 0 CHADMN FC(F)(F)c1sccc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000628349289 1119872804 /nfs/dbraw/zinc/87/28/04/1119872804.db2.gz FOPAZIOEAMTCAN-PSASIEDQSA-N 0 1 261.312 3.609 20 0 CHADMN CCC[C@H](N[C@@H](C)c1cc(OC)no1)c1ccccc1 ZINC000924566819 1119873601 /nfs/dbraw/zinc/87/36/01/1119873601.db2.gz FBCVFSHKUSCBRI-JSGCOSHPSA-N 0 1 274.364 3.875 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2ccccc21)c1cc2n(n1)CCC2 ZINC000414061360 1119875013 /nfs/dbraw/zinc/87/50/13/1119875013.db2.gz ZDEIPBKENDQGOZ-CXAGYDPISA-N 0 1 281.403 3.558 20 0 CHADMN CC[C@H](N[C@H](C)c1cc2n(n1)CCC2)c1cccs1 ZINC000414070438 1119879271 /nfs/dbraw/zinc/87/92/71/1119879271.db2.gz LFHOCHHJVYXJNR-YPMHNXCESA-N 0 1 275.421 3.693 20 0 CHADMN C[C@@H](N[C@H](c1nccs1)c1ccccc1)[C@H]1C[C@H]1C ZINC000414082037 1119888824 /nfs/dbraw/zinc/88/88/24/1119888824.db2.gz UUGBMQVXCLFKDV-UXOAXIEHSA-N 0 1 272.417 3.867 20 0 CHADMN CCCCCc1cc(C(=O)N2[C@H](CC)CC[C@@H]2C)n[nH]1 ZINC000613234565 1119889421 /nfs/dbraw/zinc/88/94/21/1119889421.db2.gz CSBDAXDAUDHJKI-GXTWGEPZSA-N 0 1 277.412 3.546 20 0 CHADMN Cc1cc(F)ccc1CN1CC[C@@](CF)(C(F)(F)F)C1 ZINC001140776920 1119891589 /nfs/dbraw/zinc/89/15/89/1119891589.db2.gz BLXAQWAOLNPYCR-ZDUSSCGKSA-N 0 1 293.279 3.858 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H]2CCCC3(CC3)C2)c1 ZINC000613284850 1119898769 /nfs/dbraw/zinc/89/87/69/1119898769.db2.gz PPKAREIRESAFMI-CYBMUJFWSA-N 0 1 287.359 3.504 20 0 CHADMN c1[nH]nc2cc(NC3CCN(c4ccccc4)CC3)ccc12 ZINC000319012681 1119900777 /nfs/dbraw/zinc/90/07/77/1119900777.db2.gz BRAINGUQXJZIEL-UHFFFAOYSA-N 0 1 292.386 3.644 20 0 CHADMN COc1ccccc1[C@H](N[C@H](C)[C@H]1C[C@@H]1C)c1ccccn1 ZINC000414113823 1119904199 /nfs/dbraw/zinc/90/41/99/1119904199.db2.gz YZPOEDJAIGVBFP-MVWRLGRASA-N 0 1 296.414 3.814 20 0 CHADMN CC[C@@H](CN[C@@H](C)c1csc(-c2ccccc2)n1)OC ZINC000414119681 1119906552 /nfs/dbraw/zinc/90/65/52/1119906552.db2.gz DONOBAZBMHCJJD-JSGCOSHPSA-N 0 1 290.432 3.886 20 0 CHADMN COCCN(C/C=C\c1ccccc1)Cc1cccs1 ZINC000613344816 1119906843 /nfs/dbraw/zinc/90/68/43/1119906843.db2.gz REAZPZIHUKNOQE-UITAMQMPSA-N 0 1 287.428 3.910 20 0 CHADMN CC(C)[C@H]1C[C@@H](N[C@H](C)c2ccn(C)n2)c2ccccc21 ZINC000414123912 1119908149 /nfs/dbraw/zinc/90/81/49/1119908149.db2.gz BURFZWHPPRDONE-MZMPZRCHSA-N 0 1 283.419 3.955 20 0 CHADMN CCc1nc(C)c(CN[C@@H](C)c2ccc(OC)cc2C)o1 ZINC000414149571 1119917987 /nfs/dbraw/zinc/91/79/87/1119917987.db2.gz UWFZHBNNPYXWFH-LBPRGKRZSA-N 0 1 288.391 3.713 20 0 CHADMN CC[C@H]1CC[C@H](N[C@@H](C)c2ncc(C(=O)OC)s2)CC1 ZINC000414152912 1119919199 /nfs/dbraw/zinc/91/91/99/1119919199.db2.gz XPSUIFFRLCKUFE-SRVKXCTJSA-N 0 1 296.436 3.549 20 0 CHADMN CCc1nc(CN(CC)CC(CC)CC)cs1 ZINC000613423512 1119922461 /nfs/dbraw/zinc/92/24/61/1119922461.db2.gz SEDISKYKDZPMRW-UHFFFAOYSA-N 0 1 254.443 3.964 20 0 CHADMN CCc1ccc(CNCc2ncc(C)c(OC)c2C)s1 ZINC000066593568 1119924692 /nfs/dbraw/zinc/92/46/92/1119924692.db2.gz JPVIASJCOLHQAZ-UHFFFAOYSA-N 0 1 290.432 3.621 20 0 CHADMN Cc1ncc(CN[C@@H](CC(C)C)c2cccs2)o1 ZINC000414174153 1119926322 /nfs/dbraw/zinc/92/63/22/1119926322.db2.gz GLMNDJGIKQOUKL-ZDUSSCGKSA-N 0 1 264.394 3.922 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](c2nccn2C)C2CC2)c(C)c1 ZINC000414173256 1119926367 /nfs/dbraw/zinc/92/63/67/1119926367.db2.gz ZJUJHTOOOTYDKI-DYVFJYSZSA-N 0 1 299.418 3.539 20 0 CHADMN Cc1cc([C@H]2CCC[N@H+]2C/C=C/c2ccccc2)on1 ZINC000613456465 1119930039 /nfs/dbraw/zinc/93/00/39/1119930039.db2.gz KGVFYFPJKJAULA-DXWDOBMASA-N 0 1 268.360 3.833 20 0 CHADMN Cc1cc([C@H]2CCCN2C/C=C/c2ccccc2)on1 ZINC000613456465 1119930041 /nfs/dbraw/zinc/93/00/41/1119930041.db2.gz KGVFYFPJKJAULA-DXWDOBMASA-N 0 1 268.360 3.833 20 0 CHADMN Cc1cc([C@@H]2CCCN2C/C=C/c2ccccc2)on1 ZINC000613456534 1119930355 /nfs/dbraw/zinc/93/03/55/1119930355.db2.gz KGVFYFPJKJAULA-RDTXFTJFSA-N 0 1 268.360 3.833 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1nc(C2CC2)no1)C(C)(C)C ZINC000414184208 1119930609 /nfs/dbraw/zinc/93/06/09/1119930609.db2.gz NRQFRUXKXOPCQY-CMPLNLGQSA-N 0 1 265.401 3.812 20 0 CHADMN CC(C)(C)c1noc(CN2CCC[C@H]2C2CCCCC2)n1 ZINC000613481163 1119935787 /nfs/dbraw/zinc/93/57/87/1119935787.db2.gz UERQDSPAOJWRQU-AWEZNQCLSA-N 0 1 291.439 3.912 20 0 CHADMN CC[C@@H](NCc1cnn(C)c1C1CC1)c1ccccc1OC ZINC000892560471 1119942827 /nfs/dbraw/zinc/94/28/27/1119942827.db2.gz HNCSEEOBASUWQQ-MRXNPFEDSA-N 0 1 299.418 3.547 20 0 CHADMN COc1cccc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)c1F ZINC000628392097 1119948547 /nfs/dbraw/zinc/94/85/47/1119948547.db2.gz KKTFWPDONPEWIJ-GHMZBOCLSA-N 0 1 287.325 3.557 20 0 CHADMN CCCC[C@@H](C)[C@H](C)NCc1nccc(C(F)(F)F)n1 ZINC000414232354 1119949913 /nfs/dbraw/zinc/94/99/13/1119949913.db2.gz CWCVLAARUPZJRU-MNOVXSKESA-N 0 1 289.345 3.800 20 0 CHADMN CCCC[C@H](C)[C@H](C)NCc1nccc(C(F)(F)F)n1 ZINC000414232356 1119950440 /nfs/dbraw/zinc/95/04/40/1119950440.db2.gz CWCVLAARUPZJRU-QWRGUYRKSA-N 0 1 289.345 3.800 20 0 CHADMN C[C@H](c1cnccn1)N1CCC(c2cccc(F)c2)CC1 ZINC000376384340 1119964849 /nfs/dbraw/zinc/96/48/49/1119964849.db2.gz IFQHQSDVDILCCS-CYBMUJFWSA-N 0 1 285.366 3.556 20 0 CHADMN COc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2F)c(OC)c1 ZINC000414281447 1119965264 /nfs/dbraw/zinc/96/52/64/1119965264.db2.gz FZFBHFGBKBXOIL-NILFDRSVSA-N 0 1 281.371 3.635 20 0 CHADMN c1c[nH]c([C@@H]2CCCCN2CCC2CCCCC2)n1 ZINC000472576650 1119967273 /nfs/dbraw/zinc/96/72/73/1119967273.db2.gz ABKJOJKUWWUOJK-HNNXBMFYSA-N 0 1 261.413 3.907 20 0 CHADMN C[C@@H](N[C@@H](C)c1csnn1)C1CCCCCC1 ZINC000414297378 1119971376 /nfs/dbraw/zinc/97/13/76/1119971376.db2.gz HJPYRMKXZJQNGG-MNOVXSKESA-N 0 1 253.415 3.548 20 0 CHADMN CCn1ccnc1NCc1ccc(C(C)(C)C)s1 ZINC000414303406 1119973382 /nfs/dbraw/zinc/97/33/82/1119973382.db2.gz PCWPJOMNLNPVGV-UHFFFAOYSA-N 0 1 263.410 3.874 20 0 CHADMN Cc1oc(C(C)(C)C)cc1CNCc1ccc(C)nc1 ZINC000892606108 1119974793 /nfs/dbraw/zinc/97/47/93/1119974793.db2.gz YHUOQTXKVXTYCT-UHFFFAOYSA-N 0 1 272.392 3.879 20 0 CHADMN CC[C@H]1CCCN(Cc2c(F)cc(OC)cc2F)C1 ZINC001140828725 1119976696 /nfs/dbraw/zinc/97/66/96/1119976696.db2.gz WVOJPIVEOGMCKO-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CC(C)Cc1ncc(CNCc2cccs2)s1 ZINC000161956382 1119985883 /nfs/dbraw/zinc/98/58/83/1119985883.db2.gz YURRBDJYSGAXGR-UHFFFAOYSA-N 0 1 266.435 3.693 20 0 CHADMN CC[C@@H](NCc1ccc(C)o1)c1ccc2c(c1)CCO2 ZINC000053036659 1119990056 /nfs/dbraw/zinc/99/00/56/1119990056.db2.gz ARSYTVRHLRWYQN-MRXNPFEDSA-N 0 1 271.360 3.764 20 0 CHADMN COc1ccc(CN2CCC[C@H](C)C2)c(C(F)(F)F)c1 ZINC001143471998 1119993378 /nfs/dbraw/zinc/99/33/78/1119993378.db2.gz OPUPZJONUGULKI-NSHDSACASA-N 0 1 287.325 3.946 20 0 CHADMN COc1ccc(CN2CCCCC2)c(C(F)(F)F)c1 ZINC001143472685 1119995704 /nfs/dbraw/zinc/99/57/04/1119995704.db2.gz TXHHAMRJMAJTGF-UHFFFAOYSA-N 0 1 273.298 3.700 20 0 CHADMN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCOC1 ZINC000539839593 1120000472 /nfs/dbraw/zinc/00/04/72/1120000472.db2.gz UUDIUPXMGKUTJY-CQSZACIVSA-N 0 1 291.778 3.821 20 0 CHADMN CCc1ncc(CN(Cc2ccoc2)C2CCCCC2)cn1 ZINC000414392420 1120016231 /nfs/dbraw/zinc/01/62/31/1120016231.db2.gz DLNZAMGNFNAMDV-UHFFFAOYSA-N 0 1 299.418 3.967 20 0 CHADMN Cc1cc(C)cc(OCCN2CCc3sccc3C2)c1 ZINC000659149325 1120022767 /nfs/dbraw/zinc/02/27/67/1120022767.db2.gz PXLOKNCXLFQOHT-UHFFFAOYSA-N 0 1 287.428 3.802 20 0 CHADMN CC[C@H](NCc1cccc2c1OCC2)c1ccsc1 ZINC000692952789 1120030115 /nfs/dbraw/zinc/03/01/15/1120030115.db2.gz XQHFLCTXIYWUDD-HNNXBMFYSA-N 0 1 273.401 3.924 20 0 CHADMN CCOC(CNC(c1ccccc1)c1ccccc1)OCC ZINC000177311057 1120031007 /nfs/dbraw/zinc/03/10/07/1120031007.db2.gz WAXSZVJBLGWDSI-UHFFFAOYSA-N 0 1 299.414 3.765 20 0 CHADMN Cc1scc(CNCc2cnc(C(C)(C)C)nc2)c1C ZINC000399991711 1120036731 /nfs/dbraw/zinc/03/67/31/1120036731.db2.gz MGGVIIQQUHASFO-UHFFFAOYSA-N 0 1 289.448 3.742 20 0 CHADMN C[C@H]1CCCC[C@@H]1N(C)Cc1csc(Cl)n1 ZINC000309452452 1120043952 /nfs/dbraw/zinc/04/39/52/1120043952.db2.gz RFVDVYIHHVZLGB-ONGXEEELSA-N 0 1 258.818 3.807 20 0 CHADMN CCN(Cc1n[nH]c(C(C)(C)C)n1)c1ccc(C)cc1C ZINC001167708510 1120051032 /nfs/dbraw/zinc/05/10/32/1120051032.db2.gz PKLMCXCMTHLVFA-UHFFFAOYSA-N 0 1 286.423 3.746 20 0 CHADMN Cc1ccc2nc(N)n(-c3cccc(C(F)(F)F)c3)c2c1 ZINC000094660740 1120053555 /nfs/dbraw/zinc/05/35/55/1120053555.db2.gz MHOLDXPWCWVRJO-UHFFFAOYSA-N 0 1 291.276 3.935 20 0 CHADMN Cc1nc(-c2ccc(NC(=O)C=CC3CC3)cc2)[nH]c1C ZINC000921659835 1120057062 /nfs/dbraw/zinc/05/70/62/1120057062.db2.gz GIBHDAYKOUDLKW-BJMVGYQFSA-N 0 1 281.359 3.598 20 0 CHADMN CCS[C@H]1CCCC[C@@H]1NCc1noc2c1CCCC2 ZINC000189493733 1120057151 /nfs/dbraw/zinc/05/71/51/1120057151.db2.gz ITJPBRATTJZJEZ-BBRMVZONSA-N 0 1 294.464 3.707 20 0 CHADMN CCN(Cc1cccc(C)n1)[C@@H](C)c1cccc(O)c1 ZINC000348539341 1120070275 /nfs/dbraw/zinc/07/02/75/1120070275.db2.gz MDVNDNGVDUBQOF-AWEZNQCLSA-N 0 1 270.376 3.679 20 0 CHADMN COc1nn(C)cc1CN[C@H](C)c1ccc(C2CCC2)cc1 ZINC000903346428 1120086228 /nfs/dbraw/zinc/08/62/28/1120086228.db2.gz SVUKYYQFNNKTAY-CYBMUJFWSA-N 0 1 299.418 3.547 20 0 CHADMN Clc1ccc2nc(-c3cnn4ccccc34)[nH]c2c1 ZINC000178960514 1120088675 /nfs/dbraw/zinc/08/86/75/1120088675.db2.gz QIQFKQIJXDMTOU-UHFFFAOYSA-N 0 1 268.707 3.531 20 0 CHADMN Cc1cnc(CN[C@@H](C)c2sccc2C)s1 ZINC000168354134 1120091329 /nfs/dbraw/zinc/09/13/29/1120091329.db2.gz JEGDZDPRIZEMKJ-JTQLQIEISA-N 0 1 252.408 3.672 20 0 CHADMN Oc1c(Cl)cc(Cl)cc1CNc1ncccc1F ZINC000186425185 1120097374 /nfs/dbraw/zinc/09/73/74/1120097374.db2.gz LQUHBXRFFVKJJR-UHFFFAOYSA-N 0 1 287.121 3.845 20 0 CHADMN C[C@@H]1CN(C(=O)c2ccc(O)c(Cl)c2)[C@H]2CCCC[C@H]12 ZINC000180530236 1120099220 /nfs/dbraw/zinc/09/92/20/1120099220.db2.gz KJJYAIAEKQNNKB-QKCSRTOESA-N 0 1 293.794 3.696 20 0 CHADMN CC[C@@H](CSC)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343837108 1120101667 /nfs/dbraw/zinc/10/16/67/1120101667.db2.gz IHLUAOBLNBHMFH-YUMQZZPRSA-N 0 1 298.399 3.954 20 0 CHADMN Cc1ccc([C@H](C)NCc2oc(C)nc2C)s1 ZINC000311808128 1120109356 /nfs/dbraw/zinc/10/93/56/1120109356.db2.gz VSOFKCBJABUAQU-JTQLQIEISA-N 0 1 250.367 3.512 20 0 CHADMN COc1ccc(C2(N[C@@H](C)c3cncc(C)c3)CC2)cc1 ZINC000343838501 1120109476 /nfs/dbraw/zinc/10/94/76/1120109476.db2.gz JFXGJPFKNFEZFK-AWEZNQCLSA-N 0 1 282.387 3.739 20 0 CHADMN COc1ccc(C[N@@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000058016813 1120109890 /nfs/dbraw/zinc/10/98/90/1120109890.db2.gz CDSFENNOMQFDJF-UHFFFAOYSA-N 0 1 285.362 3.999 20 0 CHADMN CCCc1ccc(CNc2ccnc3[nH]cnc32)cc1 ZINC001168635012 1120110940 /nfs/dbraw/zinc/11/09/40/1120110940.db2.gz CWQUTPFPOVTYMH-UHFFFAOYSA-N 0 1 266.348 3.523 20 0 CHADMN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CCCC1CCC1 ZINC000659793211 1120111317 /nfs/dbraw/zinc/11/13/17/1120111317.db2.gz DDQHGDMTFFWZPI-DLBZAZTESA-N 0 1 293.451 3.922 20 0 CHADMN CC[C@@H](C)O[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001204630089 1120111973 /nfs/dbraw/zinc/11/19/73/1120111973.db2.gz OWVWMAOEBRQYCR-IUODEOHRSA-N 0 1 267.800 3.729 20 0 CHADMN CCC(CC)CCC[N@@H+](C)Cc1cc(C(=O)[O-])oc1C ZINC000659800758 1120113189 /nfs/dbraw/zinc/11/31/89/1120113189.db2.gz AYAFDGDLEDLNKJ-UHFFFAOYSA-N 0 1 281.396 3.934 20 0 CHADMN CCc1noc([C@H](C)Sc2nc3ccc(C)cc3[nH]2)n1 ZINC000042650924 1120114250 /nfs/dbraw/zinc/11/42/50/1120114250.db2.gz FLZINOQVILZOEG-VIFPVBQESA-N 0 1 288.376 3.670 20 0 CHADMN CC(C)(C)CCCCc1nc(C2(N)CCCC2)no1 ZINC000414617723 1120117071 /nfs/dbraw/zinc/11/70/71/1120117071.db2.gz LOGGIMPQWIDGIQ-UHFFFAOYSA-N 0 1 265.401 3.557 20 0 CHADMN C[C@@H](NCc1cccc(Cl)n1)c1cccs1 ZINC000182555143 1120121714 /nfs/dbraw/zinc/12/17/14/1120121714.db2.gz LJFBFPLSTUERRI-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN Fc1ccc2c(c1)N(Cc1ccc3nc[nH]c3c1)CCC2 ZINC000542714526 1120125758 /nfs/dbraw/zinc/12/57/58/1120125758.db2.gz HVFXKFMULYYOPN-UHFFFAOYSA-N 0 1 281.334 3.655 20 0 CHADMN Fc1cccc(CNCc2cccc(OC(F)F)c2)c1F ZINC000107712999 1120125802 /nfs/dbraw/zinc/12/58/02/1120125802.db2.gz YJVIBDUYGBNJLE-UHFFFAOYSA-N 0 1 299.267 3.856 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cccc(F)c1F)CC2 ZINC000107713203 1120126246 /nfs/dbraw/zinc/12/62/46/1120126246.db2.gz UGPGBPHRHCYYRG-HNNXBMFYSA-N 0 1 277.289 3.881 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H](C)c1coc2ccccc21 ZINC000926839276 1120129120 /nfs/dbraw/zinc/12/91/20/1120129120.db2.gz YFLGMGONFSPZPM-YPMHNXCESA-N 0 1 281.359 3.943 20 0 CHADMN COc1ccc(CNCc2ccc3[nH]c(C)c(C)c3c2)o1 ZINC000892732348 1120130029 /nfs/dbraw/zinc/13/00/29/1120130029.db2.gz POIGTBJDWIISAM-UHFFFAOYSA-N 0 1 284.359 3.676 20 0 CHADMN C[C@@H](NCCOCc1ccccc1)c1cccc(F)c1F ZINC000183276916 1120132084 /nfs/dbraw/zinc/13/20/84/1120132084.db2.gz GFKLEDRZCWYDJP-CYBMUJFWSA-N 0 1 291.341 3.832 20 0 CHADMN CC[C@H](NCc1ccc(OCCOC)o1)c1ccccc1 ZINC000892739636 1120134217 /nfs/dbraw/zinc/13/42/17/1120134217.db2.gz FOHUJEWRNATOKE-INIZCTEOSA-N 0 1 289.375 3.546 20 0 CHADMN FC(F)(F)c1ccc(CCCSc2cn[nH]n2)cc1 ZINC000155989023 1120134374 /nfs/dbraw/zinc/13/43/74/1120134374.db2.gz FWGFYHWTQYASDN-UHFFFAOYSA-N 0 1 287.310 3.548 20 0 CHADMN CN(CCCc1ccccc1)Cc1cc(C2CC2)no1 ZINC000659837510 1120143517 /nfs/dbraw/zinc/14/35/17/1120143517.db2.gz AWOOJDKPBRCOQT-UHFFFAOYSA-N 0 1 270.376 3.617 20 0 CHADMN C[C@@H]1CCN(C(=O)c2cccc3c[nH]nc32)[C@@H]2CCCC[C@H]12 ZINC000057083291 1120146408 /nfs/dbraw/zinc/14/64/08/1120146408.db2.gz KRJACPMNVOXFSL-XNRPHZJLSA-N 0 1 297.402 3.604 20 0 CHADMN Cc1nc2cc(N[C@H]3CCNc4ccccc43)ccc2[nH]1 ZINC001168645520 1120149800 /nfs/dbraw/zinc/14/98/00/1120149800.db2.gz LPWGUQVPHXIHOJ-HNNXBMFYSA-N 0 1 278.359 3.840 20 0 CHADMN C[C@H]1C[C@H](NCc2cccc3c2OCO3)c2ccccc21 ZINC000313781116 1120150072 /nfs/dbraw/zinc/15/00/72/1120150072.db2.gz AVTBVAOCPKERRZ-LRDDRELGSA-N 0 1 281.355 3.753 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1cccc(SC(F)F)c1 ZINC000066782563 1120151982 /nfs/dbraw/zinc/15/19/82/1120151982.db2.gz JYJQVHJYJDSNCB-UHFFFAOYSA-N 0 1 297.330 3.539 20 0 CHADMN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[C@@H](C)C1 ZINC000466704982 1120154902 /nfs/dbraw/zinc/15/49/02/1120154902.db2.gz FOYSBXXOEUITIN-MNOVXSKESA-N 0 1 291.782 3.793 20 0 CHADMN CCCC[N@@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC000023991582 1120155644 /nfs/dbraw/zinc/15/56/44/1120155644.db2.gz QTKYGMZKDIGSLB-UHFFFAOYSA-N 0 1 270.376 3.510 20 0 CHADMN CCCCN(C)CC(=O)Nc1ccc2ccccc2c1 ZINC000023991582 1120155647 /nfs/dbraw/zinc/15/56/47/1120155647.db2.gz QTKYGMZKDIGSLB-UHFFFAOYSA-N 0 1 270.376 3.510 20 0 CHADMN Cc1c2nc[nH]c2ccc1N[C@H]1CCNc2ccccc21 ZINC001168647497 1120157029 /nfs/dbraw/zinc/15/70/29/1120157029.db2.gz XHKBRXZLWZUKQG-HNNXBMFYSA-N 0 1 278.359 3.840 20 0 CHADMN Cc1ccc2nc(SCCCc3cnoc3)[nH]c2c1 ZINC000629089063 1128894918 /nfs/dbraw/zinc/89/49/18/1128894918.db2.gz MNGIHYUYNWFAEJ-UHFFFAOYSA-N 0 1 273.361 3.584 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cc(F)c([O-])c(F)c2)C[C@H]1C ZINC001140988025 1120161838 /nfs/dbraw/zinc/16/18/38/1120161838.db2.gz KJTQAQLLSWVFLW-GHMZBOCLSA-N 0 1 269.335 3.538 20 0 CHADMN CC1(CNCc2csc(C(F)(F)F)n2)CCCC1 ZINC000892946953 1120174227 /nfs/dbraw/zinc/17/42/27/1120174227.db2.gz URGYQTAPBJWNGN-UHFFFAOYSA-N 0 1 278.343 3.832 20 0 CHADMN CC1CC(N[C@@H](c2nccn2C)c2ccc(Cl)cc2)C1 ZINC000343845431 1120177437 /nfs/dbraw/zinc/17/74/37/1120177437.db2.gz VMBKZJRGDDSMAY-WDIPEOLASA-N 0 1 289.810 3.551 20 0 CHADMN CCCCn1cc(CN[C@H](C)c2cncc(C)c2)c(C)n1 ZINC000343845472 1120177757 /nfs/dbraw/zinc/17/77/57/1120177757.db2.gz VVIWFEOQADXTNQ-CQSZACIVSA-N 0 1 286.423 3.546 20 0 CHADMN CC(C)c1nnc(CNCCCC(C)(C)C)s1 ZINC000892980924 1120187633 /nfs/dbraw/zinc/18/76/33/1120187633.db2.gz MTPWBTNDDSYPRZ-UHFFFAOYSA-N 0 1 255.431 3.577 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2c3ccccc3CC[C@H]2C)o1 ZINC000644560307 1120188733 /nfs/dbraw/zinc/18/87/33/1120188733.db2.gz UOHAUDAYGVQCRZ-XIKOKIGWSA-N 0 1 284.403 3.959 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SC[C@@H]3C[C@@H]3C)n2)o1 ZINC000629116755 1128897213 /nfs/dbraw/zinc/89/72/13/1128897213.db2.gz UKDDCUQPVYZWCJ-GHBVZUKASA-N 0 1 275.377 3.625 20 0 CHADMN Cc1cc2nccn2cc1N[C@@H]1CCCc2cccnc21 ZINC001168661042 1120195408 /nfs/dbraw/zinc/19/54/08/1120195408.db2.gz JQWHRKAOVIDRKE-CQSZACIVSA-N 0 1 278.359 3.527 20 0 CHADMN CCOCCSc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000060430042 1120198988 /nfs/dbraw/zinc/19/89/88/1120198988.db2.gz RMCFNMPKOQAUIO-UHFFFAOYSA-N 0 1 290.310 3.710 20 0 CHADMN CCOc1ccc(F)c(F)c1C[N@H+]1CCCCC12CC2 ZINC001143497422 1120199063 /nfs/dbraw/zinc/19/90/63/1120199063.db2.gz OPYXXHOPDPVATE-UHFFFAOYSA-N 0 1 281.346 3.882 20 0 CHADMN CCOc1ccc(F)c(F)c1CN1CCCCC12CC2 ZINC001143497422 1120199065 /nfs/dbraw/zinc/19/90/65/1120199065.db2.gz OPYXXHOPDPVATE-UHFFFAOYSA-N 0 1 281.346 3.882 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)COc2ccc(C)cc2)cs1 ZINC000040499590 1120202142 /nfs/dbraw/zinc/20/21/42/1120202142.db2.gz KHMMGIRMAHHXSC-OLZOCXBDSA-N 0 1 290.432 3.878 20 0 CHADMN CCc1cc(NC(=O)c2c(C)n[nH]c2C(C)C)ccc1F ZINC000672112705 1120209360 /nfs/dbraw/zinc/20/93/60/1120209360.db2.gz YLUWJOYYVWRCPD-UHFFFAOYSA-N 0 1 289.354 3.795 20 0 CHADMN CC(C)CC[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000565250352 1120209865 /nfs/dbraw/zinc/20/98/65/1120209865.db2.gz MBPLCPNFUGDZHV-CQSZACIVSA-N 0 1 293.382 3.925 20 0 CHADMN COCc1cccc(-c2ccc3nc(C)[nH]c3c2)c1 ZINC001239935538 1120212474 /nfs/dbraw/zinc/21/24/74/1120212474.db2.gz OZPOSKOUOUXVIV-UHFFFAOYSA-N 0 1 252.317 3.685 20 0 CHADMN CC(C)=C1CC[C@@H](C)C[C@H]1N[C@H]1CCCn2nc(C)nc21 ZINC000925502662 1120218107 /nfs/dbraw/zinc/21/81/07/1120218107.db2.gz LOHZRZLVKSVOPR-UHOFOFEASA-N 0 1 288.439 3.536 20 0 CHADMN COc1cc(F)ccc1-c1cc2nc[nH]c2cc1F ZINC001239998903 1120225939 /nfs/dbraw/zinc/22/59/39/1120225939.db2.gz RGQDQUQIUNNQGW-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN COC(=O)c1coc(CN2CCC[C@H]2c2ccc(C)cc2)c1 ZINC000338735819 1120230246 /nfs/dbraw/zinc/23/02/46/1120230246.db2.gz IAIGQDZLNLSNCC-KRWDZBQOSA-N 0 1 299.370 3.712 20 0 CHADMN CCCC[C@@H](CC)CCNCc1nnc(CC)s1 ZINC000515008840 1120231373 /nfs/dbraw/zinc/23/13/73/1120231373.db2.gz KULIDUFAUWAFLX-GFCCVEGCSA-N 0 1 269.458 3.797 20 0 CHADMN COC[C@@H](CN([C@@H](C)c1ccccc1Cl)C1CC1)OC ZINC000659874607 1120232545 /nfs/dbraw/zinc/23/25/45/1120232545.db2.gz SIKJBCYCNIRIIY-GXTWGEPZSA-N 0 1 297.826 3.527 20 0 CHADMN CC(C)Cc1ccc(-c2nc([C@@H](N)C(C)C)no2)cc1 ZINC000843147803 1120234393 /nfs/dbraw/zinc/23/43/93/1120234393.db2.gz GMYQXZKYZKBNQK-AWEZNQCLSA-N 0 1 273.380 3.591 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@H](C)c2ccnc(Cl)c2)cn1 ZINC000765943522 1120236476 /nfs/dbraw/zinc/23/64/76/1120236476.db2.gz DDHROTVFECWIMG-VXGBXAGGSA-N 0 1 292.814 3.924 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@@H](C)c2ccnc(Cl)c2)cn1 ZINC000765943519 1120236771 /nfs/dbraw/zinc/23/67/71/1120236771.db2.gz DDHROTVFECWIMG-NWDGAFQWSA-N 0 1 292.814 3.924 20 0 CHADMN Cc1nc2c(n1Cc1ccccc1OC1CC1)CCCC2 ZINC000629183363 1128901143 /nfs/dbraw/zinc/90/11/43/1128901143.db2.gz KICIBOHKFLEIQH-UHFFFAOYSA-N 0 1 282.387 3.660 20 0 CHADMN C[C@H]1CN(Cc2cnc(-c3ccccc3)o2)CCC1(F)F ZINC000930512328 1120247722 /nfs/dbraw/zinc/24/77/22/1120247722.db2.gz DHFDILARHRVRMC-LBPRGKRZSA-N 0 1 292.329 3.819 20 0 CHADMN CCN(CC)[C@H](C(=O)NCCCC(C)C)c1ccccc1 ZINC000111072592 1120249746 /nfs/dbraw/zinc/24/97/46/1120249746.db2.gz KFJFNGWJZRGROL-KRWDZBQOSA-N 0 1 290.451 3.622 20 0 CHADMN CCC[C@@H](NCc1cccnc1)c1ccc(F)cc1F ZINC000150933800 1120250667 /nfs/dbraw/zinc/25/06/67/1120250667.db2.gz OUXOUHTVUXVFED-MRXNPFEDSA-N 0 1 276.330 3.991 20 0 CHADMN CC(C)[C@H](N)c1noc([C@H](c2ccccc2)C(C)C)n1 ZINC000843148163 1120251333 /nfs/dbraw/zinc/25/13/33/1120251333.db2.gz NRANKJCLGJYSHO-KBPBESRZSA-N 0 1 273.380 3.513 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@H](C)CCc2cccc(F)c2)n1 ZINC000843149777 1120252516 /nfs/dbraw/zinc/25/25/16/1120252516.db2.gz QAROHWOYKPKHQF-BXUZGUMPSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H](C)CCc2cccc(F)c2)n1 ZINC000843149778 1120252683 /nfs/dbraw/zinc/25/26/83/1120252683.db2.gz QAROHWOYKPKHQF-FZMZJTMJSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)[C@H](N)c1noc([C@H](C)CCc2cccc(F)c2)n1 ZINC000843149779 1120252892 /nfs/dbraw/zinc/25/28/92/1120252892.db2.gz QAROHWOYKPKHQF-RISCZKNCSA-N 0 1 291.370 3.601 20 0 CHADMN C[C@H]1CCCCN(Cc2nnc(-c3ccccc3)s2)C1 ZINC000187962350 1120253801 /nfs/dbraw/zinc/25/38/01/1120253801.db2.gz HBFADQHCIZOFOS-ZDUSSCGKSA-N 0 1 287.432 3.827 20 0 CHADMN CCn1cc([C@H](C)N[C@H](C)c2cc(F)c(F)c(F)c2)cn1 ZINC000271460589 1120254190 /nfs/dbraw/zinc/25/41/90/1120254190.db2.gz JXXZIBREJQDWHY-ZJUUUORDSA-N 0 1 297.324 3.732 20 0 CHADMN Cc1ccc2c(c1C)OC[C@H]2N[C@@H](C)c1cnccc1C ZINC000271492447 1120255377 /nfs/dbraw/zinc/25/53/77/1120255377.db2.gz PBWYXKZKQFDMNX-WMLDXEAASA-N 0 1 282.387 3.791 20 0 CHADMN Fc1cc(F)cc(CNCc2ccc(OC(F)F)cc2)c1 ZINC000221369476 1120255459 /nfs/dbraw/zinc/25/54/59/1120255459.db2.gz YFZJKLWBGFZLFQ-UHFFFAOYSA-N 0 1 299.267 3.856 20 0 CHADMN COc1ccccc1[C@H](NCCC1CCC1)c1ccccn1 ZINC000925518397 1120258153 /nfs/dbraw/zinc/25/81/53/1120258153.db2.gz QMAGEOFJGSKHCN-IBGZPJMESA-N 0 1 296.414 3.959 20 0 CHADMN C[C@@H](N[C@H]1CCCOc2cc(F)ccc21)c1ccncc1 ZINC000179967046 1120259445 /nfs/dbraw/zinc/25/94/45/1120259445.db2.gz AFFISXMDOOUDTL-WBMJQRKESA-N 0 1 286.350 3.785 20 0 CHADMN CN1Cc2ccc(NCc3nccc4c3CCCC4)cc2C1 ZINC000921879771 1120263010 /nfs/dbraw/zinc/26/30/10/1120263010.db2.gz XGBDQYZTIFBGPY-UHFFFAOYSA-N 0 1 293.414 3.518 20 0 CHADMN CC[C@H](C)C[C@@H](C)Nc1cnccc1/C=C/N(C)C ZINC001168693065 1120270998 /nfs/dbraw/zinc/27/09/98/1120270998.db2.gz KJDHGENCCOIRKG-JSPBLOFBSA-N 0 1 261.413 3.851 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000253603677 1120272558 /nfs/dbraw/zinc/27/25/58/1120272558.db2.gz JIGNQVZEWRIXJW-GFCCVEGCSA-N 0 1 295.810 3.733 20 0 CHADMN Cc1ccnc(CNc2ccnc3cc(F)ccc32)c1 ZINC000338761926 1120274185 /nfs/dbraw/zinc/27/41/85/1120274185.db2.gz FWVUNPRFUNDLRR-UHFFFAOYSA-N 0 1 267.307 3.689 20 0 CHADMN C(=C\[C@H]1CCCCC[N@@H+]1Cc1cncnc1)\c1ccccc1 ZINC000355082355 1120276037 /nfs/dbraw/zinc/27/60/37/1120276037.db2.gz GKXQHPTTYTYVLL-OEIFXAAASA-N 0 1 293.414 3.935 20 0 CHADMN CCS[C@H]1CCCCN(Cc2noc3c2CCCC3)C1 ZINC000112090198 1120276408 /nfs/dbraw/zinc/27/64/08/1120276408.db2.gz APSCKPBQLNIFAE-ZDUSSCGKSA-N 0 1 294.464 3.661 20 0 CHADMN COc1cccc(SCCN2Cc3ccccc3C2)c1 ZINC000659905079 1120276607 /nfs/dbraw/zinc/27/66/07/1120276607.db2.gz UFYOXSXQAHPCFI-UHFFFAOYSA-N 0 1 285.412 3.803 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1cnc2ccccc2n1 ZINC000659905618 1120277637 /nfs/dbraw/zinc/27/76/37/1120277637.db2.gz BNTPVVPJYLZQLF-AWEZNQCLSA-N 0 1 289.382 3.749 20 0 CHADMN COc1cc(C)cc(CNCc2nccc3c2CCCC3)c1 ZINC000921923012 1120282497 /nfs/dbraw/zinc/28/24/97/1120282497.db2.gz GLUPJCUTWYVQCO-UHFFFAOYSA-N 0 1 296.414 3.567 20 0 CHADMN CCCN(CCc1cccc(F)c1)Cc1coc(C)n1 ZINC000659929221 1120291595 /nfs/dbraw/zinc/29/15/95/1120291595.db2.gz QSFVCAMEGKOMGK-UHFFFAOYSA-N 0 1 276.355 3.577 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cc(C)nc(C)n1 ZINC000659928468 1120292186 /nfs/dbraw/zinc/29/21/86/1120292186.db2.gz XBSIZRWYEXWSOQ-GOSISDBHSA-N 0 1 281.403 3.603 20 0 CHADMN Cc1ccccc1[C@H](C(C)C)N(C)C(=O)CCc1cnc[nH]1 ZINC000355987731 1120293051 /nfs/dbraw/zinc/29/30/51/1120293051.db2.gz IPRUWSMTTWNPMO-SFHVURJKSA-N 0 1 299.418 3.506 20 0 CHADMN CCc1cccc(OCCN(C)Cc2cnc(C)s2)c1 ZINC000076744517 1120295089 /nfs/dbraw/zinc/29/50/89/1120295089.db2.gz YEKQBWUUDGEZLK-UHFFFAOYSA-N 0 1 290.432 3.525 20 0 CHADMN CCOCCN(CC)Cc1c(Cl)ccc2cccnc21 ZINC000107679495 1120296449 /nfs/dbraw/zinc/29/64/49/1120296449.db2.gz AVYCRKMOFNFANV-UHFFFAOYSA-N 0 1 292.810 3.747 20 0 CHADMN Cc1nc(CN(C)[C@H](C)Cc2ccc(C)cc2)c(C)o1 ZINC000659942445 1120300013 /nfs/dbraw/zinc/30/00/13/1120300013.db2.gz BEFYGHUZBCVDRV-CYBMUJFWSA-N 0 1 272.392 3.663 20 0 CHADMN CCC[N@@H+](Cc1nc(C)oc1C)[C@H]1C[C@H](OCC)C1(C)C ZINC000659947340 1120303071 /nfs/dbraw/zinc/30/30/71/1120303071.db2.gz KQUOHFNYPJVILK-HOTGVXAUSA-N 0 1 294.439 3.707 20 0 CHADMN CCCN(Cc1nc(C)oc1C)[C@H]1C[C@H](OCC)C1(C)C ZINC000659947340 1120303074 /nfs/dbraw/zinc/30/30/74/1120303074.db2.gz KQUOHFNYPJVILK-HOTGVXAUSA-N 0 1 294.439 3.707 20 0 CHADMN CN(CCOc1cccc2ccccc21)Cc1ccco1 ZINC000064950074 1120309862 /nfs/dbraw/zinc/30/98/62/1120309862.db2.gz GFPFLSLPSZCZFD-UHFFFAOYSA-N 0 1 281.355 3.944 20 0 CHADMN C#CCCCC(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000191190112 1128907119 /nfs/dbraw/zinc/90/71/19/1128907119.db2.gz QDVLETWRBFRKHK-JTQLQIEISA-N 0 1 290.750 3.624 20 0 CHADMN CC(C)CN1CCC[C@H]1c1ccc(Br)cn1 ZINC000339167149 1120312555 /nfs/dbraw/zinc/31/25/55/1120312555.db2.gz BWTTWPWEWGMICU-ZDUSSCGKSA-N 0 1 283.213 3.637 20 0 CHADMN CC(C)C[C@H]1C[C@H](NCc2nc(C(C)(C)C)co2)CCO1 ZINC000921972999 1120312672 /nfs/dbraw/zinc/31/26/72/1120312672.db2.gz DXPHAAFGLOEPTI-KGLIPLIRSA-N 0 1 294.439 3.655 20 0 CHADMN C[C@@H](C(=O)Nc1cc(Cl)c(O)cc1F)C1CCCC1 ZINC000672485421 1120314236 /nfs/dbraw/zinc/31/42/36/1120314236.db2.gz MYOXBSDGQMQBKI-MRVPVSSYSA-N 0 1 285.746 3.950 20 0 CHADMN Clc1ccc(CN[C@@H]2CCc3ccccc32)nc1 ZINC000182130034 1120314580 /nfs/dbraw/zinc/31/45/80/1120314580.db2.gz HXLZPLSFSICYJT-OAHLLOKOSA-N 0 1 258.752 3.512 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)CCc1ccccn1 ZINC000077184020 1120317837 /nfs/dbraw/zinc/31/78/37/1120317837.db2.gz MMSPDJIVTZVRDI-LBPRGKRZSA-N 0 1 276.330 3.595 20 0 CHADMN CCCn1cc(CNCc2ccc3[nH]c(C)c(C)c3c2)cn1 ZINC000343854296 1120318025 /nfs/dbraw/zinc/31/80/25/1120318025.db2.gz PITSVTUDCQOCJI-UHFFFAOYSA-N 0 1 296.418 3.681 20 0 CHADMN CC[C@H](N[C@H](C)c1cc(C)n(C)n1)c1ccccc1 ZINC000282322491 1120320191 /nfs/dbraw/zinc/32/01/91/1120320191.db2.gz UKBPXUKDXTWNKY-HIFRSBDPSA-N 0 1 257.381 3.530 20 0 CHADMN CCc1nc([C@@H](C)N2CC[C@H]2c2ccc(Cl)cc2)n[nH]1 ZINC000659985698 1120323311 /nfs/dbraw/zinc/32/33/11/1120323311.db2.gz QKPWATWQSVELII-MFKMUULPSA-N 0 1 290.798 3.529 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000629364826 1128908096 /nfs/dbraw/zinc/90/80/96/1128908096.db2.gz QJNOVRNRRQILLL-GOEBONIOSA-N 0 1 269.429 3.636 20 0 CHADMN C[C@@H]1CN(Cc2cnc3ccccc3n2)[C@@H]1c1ccccc1 ZINC000659986472 1120325611 /nfs/dbraw/zinc/32/56/11/1120325611.db2.gz LDMNOBKXMZEXKO-KUHUBIRLSA-N 0 1 289.382 3.823 20 0 CHADMN CCC[C@@H](C)CCC[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000629360352 1128908362 /nfs/dbraw/zinc/90/83/62/1128908362.db2.gz REPAXLKTEGMIEK-OAHLLOKOSA-N 0 1 277.408 3.790 20 0 CHADMN CC[C@@H](F)CN(C)[C@H](CC)c1ccccc1OC ZINC000672577340 1120328360 /nfs/dbraw/zinc/32/83/60/1120328360.db2.gz MRWLOKGGYDEVTM-TZMCWYRMSA-N 0 1 253.361 3.826 20 0 CHADMN Cc1cccnc1[C@@H](N[C@H](C)c1ccncc1)C(C)C ZINC000172818174 1120328398 /nfs/dbraw/zinc/32/83/98/1120328398.db2.gz JRHURTZWBFPTII-ZBFHGGJFSA-N 0 1 269.392 3.833 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN1CC2(CC(F)C2)C1 ZINC000656695555 1120328409 /nfs/dbraw/zinc/32/84/09/1120328409.db2.gz MDQOBFRRGRNAFX-UHFFFAOYSA-N 0 1 267.775 3.891 20 0 CHADMN Cc1c([C@@H](C)NC/C=C/Cl)cnn1-c1ccc(F)cc1 ZINC000182880473 1120330735 /nfs/dbraw/zinc/33/07/35/1120330735.db2.gz ZHKQJGOQLBOFGB-TXGYYHNKSA-N 0 1 293.773 3.723 20 0 CHADMN C[C@H](C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21)C1CCCCC1 ZINC000629376654 1128908822 /nfs/dbraw/zinc/90/88/22/1128908822.db2.gz JKFPFYBGKFSXOF-BSWAZPDLSA-N 0 1 293.451 3.778 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCCC2(CC2)CC1 ZINC000629378862 1128909147 /nfs/dbraw/zinc/90/91/47/1128909147.db2.gz XLMMKQJRECYRJR-UHFFFAOYSA-N 0 1 279.405 3.521 20 0 CHADMN CC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(C)cc2F)C1 ZINC000042145633 1120338582 /nfs/dbraw/zinc/33/85/82/1120338582.db2.gz WNKRBKCLRZHNLW-KBPBESRZSA-N 0 1 292.398 3.583 20 0 CHADMN O=C([O-])[C@@H](c1cccc(Cl)c1)[N@H+]1CCCC2(CC2)CC1 ZINC000629378787 1128909465 /nfs/dbraw/zinc/90/94/65/1128909465.db2.gz UFVOODWDAUSTPN-CQSZACIVSA-N 0 1 293.794 3.732 20 0 CHADMN C[C@H](C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21)C1CCCCC1 ZINC000629376655 1128909476 /nfs/dbraw/zinc/90/94/76/1128909476.db2.gz JKFPFYBGKFSXOF-IWCQGFGOSA-N 0 1 293.451 3.778 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2)C(C)(C)C)nc(C)n1 ZINC000660035039 1120348364 /nfs/dbraw/zinc/34/83/64/1120348364.db2.gz QGTFUNAMCZTORU-KRWDZBQOSA-N 0 1 283.419 3.970 20 0 CHADMN Cc1nc(C2(NCCCC3CCC3)CCCCC2)no1 ZINC000660036010 1120349306 /nfs/dbraw/zinc/34/93/06/1120349306.db2.gz GEVYHLUTPPLUDO-UHFFFAOYSA-N 0 1 277.412 3.707 20 0 CHADMN CCc1nocc1CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000660036663 1120349558 /nfs/dbraw/zinc/34/95/58/1120349558.db2.gz SHGLPURKPWNKPA-GOSISDBHSA-N 0 1 282.387 3.889 20 0 CHADMN CCc1nocc1CN[C@@H](c1ccccc1)C1CCC1 ZINC000660065839 1120358316 /nfs/dbraw/zinc/35/83/16/1120358316.db2.gz LIHZODOFNZFUJW-KRWDZBQOSA-N 0 1 270.376 3.868 20 0 CHADMN CCc1ccc(CN[C@H]2CCOc3ccc(OC)cc32)cc1 ZINC000318690091 1120363518 /nfs/dbraw/zinc/36/35/18/1120363518.db2.gz OYOQKQKEHZDUMQ-SFHVURJKSA-N 0 1 297.398 3.871 20 0 CHADMN CO[C@H](CNC(C)(C)c1nccs1)C1CCCCC1 ZINC000660075352 1120365132 /nfs/dbraw/zinc/36/51/32/1120365132.db2.gz YACWAOHNRXYCSL-CYBMUJFWSA-N 0 1 282.453 3.563 20 0 CHADMN CC(C)C[C@H](C)CN[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000499624314 1120367835 /nfs/dbraw/zinc/36/78/35/1120367835.db2.gz HAKMTPCKHVVFQW-RYUDHWBXSA-N 0 1 267.417 3.700 20 0 CHADMN CC[C@](C)(NC[C@H](OC)C1CCCC1)c1nccs1 ZINC000660079646 1120367875 /nfs/dbraw/zinc/36/78/75/1120367875.db2.gz NJCZMJZVXVDQDH-ZFWWWQNUSA-N 0 1 282.453 3.563 20 0 CHADMN CC(C)(C)c1coc(CNCC2(c3ccccn3)CCC2)n1 ZINC000922124335 1120375985 /nfs/dbraw/zinc/37/59/85/1120375985.db2.gz QUIMYZKXSKYQTP-UHFFFAOYSA-N 0 1 299.418 3.579 20 0 CHADMN CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1cc(C2CC2)no1 ZINC000660099705 1120376854 /nfs/dbraw/zinc/37/68/54/1120376854.db2.gz IUKWUGYCIPFBDI-HZPDHXFCSA-N 0 1 292.423 3.578 20 0 CHADMN CSc1cccc(CN2CCc3ccccc3[C@@H]2CO)c1 ZINC000660100994 1120377240 /nfs/dbraw/zinc/37/72/40/1120377240.db2.gz DAXSLIAPQBKFBL-SFHVURJKSA-N 0 1 299.439 3.500 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1CCOCC(F)(F)F ZINC000114493468 1120385464 /nfs/dbraw/zinc/38/54/64/1120385464.db2.gz CHUIQKFYULWAPQ-CQSZACIVSA-N 0 1 287.325 3.575 20 0 CHADMN CSc1ccc([C@H](C)NCc2cncc(F)c2)cc1 ZINC000282331730 1120386745 /nfs/dbraw/zinc/38/67/45/1120386745.db2.gz UKZLZFGEZSLJPB-NSHDSACASA-N 0 1 276.380 3.793 20 0 CHADMN Cc1nc(CN2CCC(C)(c3ccccc3)CC2)c(C)o1 ZINC000660125089 1120388468 /nfs/dbraw/zinc/38/84/68/1120388468.db2.gz ZKIUQQNJCNWBQA-UHFFFAOYSA-N 0 1 284.403 3.845 20 0 CHADMN FC1(F)CC2(CN(CCc3nsc4ccccc43)C2)C1 ZINC000660146776 1120398080 /nfs/dbraw/zinc/39/80/80/1120398080.db2.gz JMSHBEIVHRNBDY-UHFFFAOYSA-N 0 1 294.370 3.570 20 0 CHADMN Cc1c(CSC(C)C)cccc1NC(=O)[C@H](C)N(C)C ZINC000078750764 1120402656 /nfs/dbraw/zinc/40/26/56/1120402656.db2.gz UFOHLPQTGHMCGW-ZDUSSCGKSA-N 0 1 294.464 3.525 20 0 CHADMN Fc1ccc([C@H]2CN([C@@H]3CCc4ccccc43)CCO2)cc1 ZINC000681668670 1120403715 /nfs/dbraw/zinc/40/37/15/1120403715.db2.gz SDUJZYIQUDFWHT-RTBURBONSA-N 0 1 297.373 3.887 20 0 CHADMN Fc1ccc(C2CC2)cc1CN[C@H]1CCCc2n[nH]cc21 ZINC000453264619 1120403840 /nfs/dbraw/zinc/40/38/40/1120403840.db2.gz WKJAYDAIAWJTFJ-INIZCTEOSA-N 0 1 285.366 3.593 20 0 CHADMN Fc1ccc(CN2CCC3(CC3)CC2)cc1Cl ZINC000682531400 1120417282 /nfs/dbraw/zinc/41/72/82/1120417282.db2.gz GLWIRDKVYHXBEE-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN CCc1noc([C@@H](C)[N@H+]2CCC[C@H](c3ccccc3)CC2)n1 ZINC000066898093 1120417425 /nfs/dbraw/zinc/41/74/25/1120417425.db2.gz WKDYAPYYQJZLIG-ZBFHGGJFSA-N 0 1 299.418 3.963 20 0 CHADMN CCc1noc([C@@H](C)N2CCC[C@H](c3ccccc3)CC2)n1 ZINC000066898093 1120417427 /nfs/dbraw/zinc/41/74/27/1120417427.db2.gz WKDYAPYYQJZLIG-ZBFHGGJFSA-N 0 1 299.418 3.963 20 0 CHADMN O=C(C[C@H]1C=CCCC1)Nc1cccc2c1CN(C1CC1)C2 ZINC000364064393 1120418941 /nfs/dbraw/zinc/41/89/41/1120418941.db2.gz VHGSOHDXRSEIGS-AWEZNQCLSA-N 0 1 296.414 3.850 20 0 CHADMN CCc1nocc1CN[C@H](C)c1cccc(OC(C)C)c1 ZINC000660181766 1120420053 /nfs/dbraw/zinc/42/00/53/1120420053.db2.gz HHZPWPLYVJBJKB-CYBMUJFWSA-N 0 1 288.391 3.875 20 0 CHADMN Cc1occc1CNCc1ccc(F)c(Br)c1 ZINC000067218112 1120433406 /nfs/dbraw/zinc/43/34/06/1120433406.db2.gz ISICYSKGGYSZBF-UHFFFAOYSA-N 0 1 298.155 3.779 20 0 CHADMN Oc1cccc2c1CCC[C@H]2N[C@H]1COCc2ccccc21 ZINC000417356279 1120434106 /nfs/dbraw/zinc/43/41/06/1120434106.db2.gz FGJGVNDQFTYPHE-MSOLQXFVSA-N 0 1 295.382 3.631 20 0 CHADMN COc1ccsc1[C@H](C)N[C@H]1COCc2ccccc21 ZINC000417360382 1120436267 /nfs/dbraw/zinc/43/62/67/1120436267.db2.gz JSNKNGZNIMAHMF-FZMZJTMJSA-N 0 1 289.400 3.679 20 0 CHADMN CC(C)(C)c1noc(CN2CCC[C@H]2C2CCCC2)n1 ZINC000079393827 1120436513 /nfs/dbraw/zinc/43/65/13/1120436513.db2.gz UIFLEQTXTBGMLY-ZDUSSCGKSA-N 0 1 277.412 3.522 20 0 CHADMN C[C@@H](N[C@@H]1COCc2ccccc21)c1ccc2c(c1)COC2 ZINC000417366130 1120438650 /nfs/dbraw/zinc/43/86/50/1120438650.db2.gz ONYGFCOSZFIIRT-BFUOFWGJSA-N 0 1 295.382 3.639 20 0 CHADMN CO[C@@H](CN[C@H](C)c1nc2c(s1)CCCC2)CC(C)C ZINC000417367958 1120438915 /nfs/dbraw/zinc/43/89/15/1120438915.db2.gz OILJVUURBDENNS-CHWSQXEVSA-N 0 1 296.480 3.734 20 0 CHADMN CCCn1nccc1CNCc1ccc(C(C)(C)C)cc1 ZINC000657336462 1120438972 /nfs/dbraw/zinc/43/89/72/1120438972.db2.gz RSHQLFZIZWTLGK-UHFFFAOYSA-N 0 1 285.435 3.880 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CN1Cc1nc(C(C)(C)C)no1 ZINC000115555206 1120440913 /nfs/dbraw/zinc/44/09/13/1120440913.db2.gz QVEAGTAUGICJDF-ZFWWWQNUSA-N 0 1 299.418 3.745 20 0 CHADMN CCc1nocc1CN[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000660203354 1120441053 /nfs/dbraw/zinc/44/10/53/1120441053.db2.gz SFSBWVIKHCLFCF-AWEZNQCLSA-N 0 1 299.418 3.688 20 0 CHADMN COc1cc(CN[C@@H](c2cccc(C)c2)C(C)(C)C)on1 ZINC000660203916 1120441113 /nfs/dbraw/zinc/44/11/13/1120441113.db2.gz VWHGWPORKAYNKC-INIZCTEOSA-N 0 1 288.391 3.869 20 0 CHADMN C[N@@H+](Cc1c2ccccc2sc1C(=O)[O-])[C@H]1CC1(C)C ZINC000584785131 1120446581 /nfs/dbraw/zinc/44/65/81/1120446581.db2.gz AITJIOLIXLVGAT-ZDUSSCGKSA-N 0 1 289.400 3.830 20 0 CHADMN CC(C)(C)c1coc(CNC[C@H]2CC23CCSCC3)n1 ZINC000922192274 1120456907 /nfs/dbraw/zinc/45/69/07/1120456907.db2.gz RIEPUUMPCUICAZ-GFCCVEGCSA-N 0 1 294.464 3.595 20 0 CHADMN CSCc1ccc(CN[C@@H]2COCc3ccccc32)cc1 ZINC000922190344 1120458424 /nfs/dbraw/zinc/45/84/24/1120458424.db2.gz JKWIKSAMKYHPMW-GOSISDBHSA-N 0 1 299.439 3.911 20 0 CHADMN Cc1occc1CNCc1cnc(C(C)(C)C)s1 ZINC000067975369 1120458593 /nfs/dbraw/zinc/45/85/93/1120458593.db2.gz NGGDTTPGADVSGM-UHFFFAOYSA-N 0 1 264.394 3.632 20 0 CHADMN CCc1ccc([C@H]([NH2+]Cc2ccsc2C)C(=O)[O-])cc1 ZINC000417581781 1120460093 /nfs/dbraw/zinc/46/00/93/1120460093.db2.gz IRCXFJBFMHSBEY-HNNXBMFYSA-N 0 1 289.400 3.534 20 0 CHADMN c1cc(CNCc2ccc3sccc3c2)n(CC2CC2)n1 ZINC000657467821 1120462191 /nfs/dbraw/zinc/46/21/91/1120462191.db2.gz DGOCALRETWRKRL-UHFFFAOYSA-N 0 1 297.427 3.798 20 0 CHADMN CCn1cc(CN(C)[C@@H]2CCc3ccc(Cl)cc32)cn1 ZINC000543207155 1120462982 /nfs/dbraw/zinc/46/29/82/1120462982.db2.gz MRMBBKRMPUKQBT-MRXNPFEDSA-N 0 1 289.810 3.676 20 0 CHADMN CO[C@@H](CNC1(c2nc(C)cs2)CCC1)C1CCCC1 ZINC000660261855 1120471085 /nfs/dbraw/zinc/47/10/85/1120471085.db2.gz BMJHBNQSJOXQQW-AWEZNQCLSA-N 0 1 294.464 3.626 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2cc(C)ccc2C)n(C)n1 ZINC000417701542 1120474058 /nfs/dbraw/zinc/47/40/58/1120474058.db2.gz IDCULJOPUDMIAK-OAHLLOKOSA-N 0 1 271.408 3.538 20 0 CHADMN CC(C)(NCc1cnc2ccccc2n1)c1cccs1 ZINC000660267908 1120474643 /nfs/dbraw/zinc/47/46/43/1120474643.db2.gz AATOVJZWCVKJDF-UHFFFAOYSA-N 0 1 283.400 3.716 20 0 CHADMN C[C@H](NC[C@@H]1CC[C@H]2C[C@H]2C1)c1noc(-c2ccccc2)n1 ZINC000660269467 1120476247 /nfs/dbraw/zinc/47/62/47/1120476247.db2.gz NNAVZCXNOIYSMU-LQKXBSAESA-N 0 1 297.402 3.823 20 0 CHADMN CC[C@H](CN[C@H](C)c1nc(C(C)(C)C)no1)CC(F)F ZINC000660271448 1120476853 /nfs/dbraw/zinc/47/68/53/1120476853.db2.gz DWGJKLGCODOYRP-ZJUUUORDSA-N 0 1 289.370 3.699 20 0 CHADMN Cc1ccc(-c2n[nH]c(S[C@H](C)C(F)(F)F)n2)cc1 ZINC000157783223 1120477721 /nfs/dbraw/zinc/47/77/21/1120477721.db2.gz DJKFMPASIOLQIQ-MRVPVSSYSA-N 0 1 287.310 3.823 20 0 CHADMN Cc1nnc([C@@H](C)NCC[C@H]2CCc3ccccc32)s1 ZINC000660280113 1120478888 /nfs/dbraw/zinc/47/88/88/1120478888.db2.gz MTGKHBAVRRSVCG-BXUZGUMPSA-N 0 1 287.432 3.617 20 0 CHADMN CCc1ccc(C)nc1NCc1nc(C(C)(C)C)co1 ZINC000922239260 1120480016 /nfs/dbraw/zinc/48/00/16/1120480016.db2.gz PACNYNZGHLBSGU-UHFFFAOYSA-N 0 1 273.380 3.850 20 0 CHADMN CCn1cncc1CN1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000417805246 1120482072 /nfs/dbraw/zinc/48/20/72/1120482072.db2.gz DEHADGXFRUNRLI-SUMWQHHRSA-N 0 1 287.382 3.625 20 0 CHADMN C[C@H]1C[N@@H+](C/C=C\c2ccc(F)c(F)c2)CCC1(F)F ZINC000685849309 1120486888 /nfs/dbraw/zinc/48/68/88/1120486888.db2.gz PAWAULQEIMXCSS-QUCGXOGASA-N 0 1 287.300 3.955 20 0 CHADMN C[C@H]1CN(C/C=C\c2ccc(F)c(F)c2)CCC1(F)F ZINC000685849309 1120486892 /nfs/dbraw/zinc/48/68/92/1120486892.db2.gz PAWAULQEIMXCSS-QUCGXOGASA-N 0 1 287.300 3.955 20 0 CHADMN CCn1cncc1CN[C@H](C)c1oc2ccccc2c1C ZINC000417874140 1120488839 /nfs/dbraw/zinc/48/88/39/1120488839.db2.gz KWVKVLFQWCROPW-CYBMUJFWSA-N 0 1 283.375 3.808 20 0 CHADMN Cc1cccc([C@H](c2noc(CNCC3CC3)n2)C(C)C)c1 ZINC000843235876 1120489067 /nfs/dbraw/zinc/48/90/67/1120489067.db2.gz YFDIONQOEOCMTM-QGZVFWFLSA-N 0 1 299.418 3.666 20 0 CHADMN CCc1ccccc1CN1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001141224043 1120489235 /nfs/dbraw/zinc/48/92/35/1120489235.db2.gz AFOSOMQTWNBHLK-DLBZAZTESA-N 0 1 271.404 3.583 20 0 CHADMN CC[C@@H](CN(CC)Cc1coc(C)n1)c1ccccc1 ZINC000660319764 1120496272 /nfs/dbraw/zinc/49/62/72/1120496272.db2.gz GRNJVCGJYFHVQI-HNNXBMFYSA-N 0 1 272.392 3.999 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc3ncsc3c2)nc(C)n1 ZINC000660321473 1120499298 /nfs/dbraw/zinc/49/92/98/1120499298.db2.gz GPFTUWJXPGAGOD-LLVKDONJSA-N 0 1 298.415 3.554 20 0 CHADMN Cc1oc2ccccc2c1[C@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000925635923 1120499791 /nfs/dbraw/zinc/49/97/91/1120499791.db2.gz VBDXICFXBIXUPP-QWRGUYRKSA-N 0 1 269.348 3.876 20 0 CHADMN COCC(C)(C)CCCNc1cc[nH+]c2c([O-])cccc12 ZINC000673462490 1120499829 /nfs/dbraw/zinc/49/98/29/1120499829.db2.gz AOSJDTOIUFUSST-UHFFFAOYSA-N 0 1 288.391 3.805 20 0 CHADMN C[C@H](CN1C[C@H]2CC[C@@H](C1)O2)c1ccc(C(F)(F)F)cc1 ZINC000500073891 1120503809 /nfs/dbraw/zinc/50/38/09/1120503809.db2.gz JJSMJUQJMMPMGW-DFBGVHRSSA-N 0 1 299.336 3.672 20 0 CHADMN C[C@H]1CCC[C@@H](C(=O)Nc2ccc(CN(C)C)c(F)c2)C1 ZINC000086233783 1120504035 /nfs/dbraw/zinc/50/40/35/1120504035.db2.gz SXLQUPJAGVDTPG-QWHCGFSZSA-N 0 1 292.398 3.652 20 0 CHADMN CCn1cncc1CNCc1ccc(C(F)(F)F)cc1C ZINC000418019759 1120506581 /nfs/dbraw/zinc/50/65/81/1120506581.db2.gz YFVQSBCRVWJYPY-UHFFFAOYSA-N 0 1 297.324 3.520 20 0 CHADMN Cc1cc(-c2ccc3[nH]nnc3c2)c(F)cc1Cl ZINC001222233248 1120507380 /nfs/dbraw/zinc/50/73/80/1120507380.db2.gz YEPUQVPFYVQELY-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN Cc1cc(-c2ccc3nn[nH]c3c2)c(F)cc1Cl ZINC001222233248 1120507383 /nfs/dbraw/zinc/50/73/83/1120507383.db2.gz YEPUQVPFYVQELY-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN Cc1ccc([C@@H]2CSCCN2CCOCC(C)C)cc1 ZINC000500094501 1120508894 /nfs/dbraw/zinc/50/88/94/1120508894.db2.gz VITROMVCAUOADG-KRWDZBQOSA-N 0 1 293.476 3.758 20 0 CHADMN CCn1cncc1CN(C)[C@H](c1ccc(F)cc1)C(C)C ZINC000418037476 1120509298 /nfs/dbraw/zinc/50/92/98/1120509298.db2.gz XNFFVPGZVFOADG-KRWDZBQOSA-N 0 1 289.398 3.871 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccc(O)cc21)c1ccccc1F ZINC000657694844 1120510197 /nfs/dbraw/zinc/51/01/97/1120510197.db2.gz WPTUVDVJITUPKZ-APPDUMDISA-N 0 1 271.335 3.869 20 0 CHADMN C[C@@H]1CCC[N@@H+](CCN[C@H](c2ccco2)c2ccccc2)C1 ZINC000543407467 1120512655 /nfs/dbraw/zinc/51/26/55/1120512655.db2.gz HAUWRLACOYNKLK-APWZRJJASA-N 0 1 298.430 3.691 20 0 CHADMN COCC[C@H]1CCCCN(Cc2ncc(C(C)C)s2)C1 ZINC000364238050 1120514492 /nfs/dbraw/zinc/51/44/92/1120514492.db2.gz CZZBBBTZILTEIN-CQSZACIVSA-N 0 1 296.480 3.905 20 0 CHADMN COc1cc2c(cc1F)nccc2NCCC1CC1 ZINC000359534442 1120518347 /nfs/dbraw/zinc/51/83/47/1120518347.db2.gz RSLGIFDXQFQSHL-UHFFFAOYSA-N 0 1 260.312 3.595 20 0 CHADMN CC(C)C[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000500158058 1120523136 /nfs/dbraw/zinc/52/31/36/1120523136.db2.gz PIZSTXIEPTWDOR-HNNXBMFYSA-N 0 1 297.402 3.727 20 0 CHADMN CCC[C@H]1CCC[N@@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC000466490929 1120523618 /nfs/dbraw/zinc/52/36/18/1120523618.db2.gz PNAZXKCDONXIKQ-LBPRGKRZSA-N 0 1 276.355 3.979 20 0 CHADMN CCC[C@H]1CCCN(Cc2nc3ccc(F)cc3o2)C1 ZINC000466490929 1120523620 /nfs/dbraw/zinc/52/36/20/1120523620.db2.gz PNAZXKCDONXIKQ-LBPRGKRZSA-N 0 1 276.355 3.979 20 0 CHADMN COc1nscc1CN[C@H](c1ccccc1C)C(C)C ZINC001168724590 1120524552 /nfs/dbraw/zinc/52/45/52/1120524552.db2.gz YOUIXLSLHVRCRX-HNNXBMFYSA-N 0 1 290.432 3.947 20 0 CHADMN COc1cccnc1CN[C@@H]1c2ccccc2CC[C@H]1C ZINC000651475343 1120525004 /nfs/dbraw/zinc/52/50/04/1120525004.db2.gz LYRRWOSRNFWFPZ-ACJLOTCBSA-N 0 1 282.387 3.503 20 0 CHADMN Cc1cncc([C@@H](C)NCc2ccc3ccccc3n2)c1 ZINC000343861761 1120526593 /nfs/dbraw/zinc/52/65/93/1120526593.db2.gz MSSJOUBPCPMLBS-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN CCN(Cc1csc(C(C)(C)C)n1)CC1CC1 ZINC000070014117 1120526923 /nfs/dbraw/zinc/52/69/23/1120526923.db2.gz XXJGUNVELDCQAT-UHFFFAOYSA-N 0 1 252.427 3.673 20 0 CHADMN F[C@@H]1CCC[C@@H]1NCc1cc(Cl)cc(Cl)c1 ZINC000378739095 1120529524 /nfs/dbraw/zinc/52/95/24/1120529524.db2.gz IBNXFJVOVOYKCY-NEPJUHHUSA-N 0 1 262.155 3.974 20 0 CHADMN Cc1cccc(C)c1NC(=O)c1ccc(O)c(Cl)c1 ZINC000019840205 1120530303 /nfs/dbraw/zinc/53/03/03/1120530303.db2.gz UFZURLZOJZAPNH-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN Cc1cccc(NC(=O)c2ccc(O)c(Cl)c2)c1C ZINC000019840420 1120530564 /nfs/dbraw/zinc/53/05/64/1120530564.db2.gz VHBYUOFUQBWHPN-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN Cc1cccc(CNCc2ccccc2CC(F)(F)F)n1 ZINC000631045945 1120531618 /nfs/dbraw/zinc/53/16/18/1120531618.db2.gz DKROTLIEBBIZTI-UHFFFAOYSA-N 0 1 294.320 3.785 20 0 CHADMN C[C@H](N[C@@H]1CCCn2nccc21)c1cc2ccccc2o1 ZINC000657824046 1120532916 /nfs/dbraw/zinc/53/29/16/1120532916.db2.gz CIPXPZPOPYCQLV-GXTWGEPZSA-N 0 1 281.359 3.815 20 0 CHADMN C[C@@H](CCc1ccccc1)N[C@@H]1CCCC1(F)F ZINC000397972497 1120537908 /nfs/dbraw/zinc/53/79/08/1120537908.db2.gz UJLRFIGUHPZWFF-GXTWGEPZSA-N 0 1 253.336 3.785 20 0 CHADMN Fc1ccccc1CCC[N@H+]1CCc2c(F)cccc2C1 ZINC001207494352 1120538004 /nfs/dbraw/zinc/53/80/04/1120538004.db2.gz DIYFFZYIQQXJNK-UHFFFAOYSA-N 0 1 287.353 3.956 20 0 CHADMN Fc1ccccc1CCCN1CCc2c(F)cccc2C1 ZINC001207494352 1120538008 /nfs/dbraw/zinc/53/80/08/1120538008.db2.gz DIYFFZYIQQXJNK-UHFFFAOYSA-N 0 1 287.353 3.956 20 0 CHADMN CC[N@@H+](Cc1nc(C)oc1C)[C@@H]1CCCC[C@@H]1C ZINC000660368672 1120540155 /nfs/dbraw/zinc/54/01/55/1120540155.db2.gz VGLDZRIAOPGGHD-XHDPSFHLSA-N 0 1 250.386 3.692 20 0 CHADMN CC[C@@H](CSc1ccc(C)c(C)c1)NCc1cocn1 ZINC000428861171 1120541102 /nfs/dbraw/zinc/54/11/02/1120541102.db2.gz JHQTXQZYIREVSC-AWEZNQCLSA-N 0 1 290.432 3.952 20 0 CHADMN Clc1ccc(-c2cc3[nH]cnc3cn2)cc1Cl ZINC001222343147 1120541277 /nfs/dbraw/zinc/54/12/77/1120541277.db2.gz YSXBMSYWOSARIY-UHFFFAOYSA-N 0 1 264.115 3.932 20 0 CHADMN CC(C)c1nc(CN(C(C)C)[C@@H](C)c2ccccc2)n[nH]1 ZINC000428871902 1120546159 /nfs/dbraw/zinc/54/61/59/1120546159.db2.gz KQNWRIXQELAYHT-AWEZNQCLSA-N 0 1 286.423 3.900 20 0 CHADMN CCC(=O)CCC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000347722839 1120548712 /nfs/dbraw/zinc/54/87/12/1120548712.db2.gz SAQCVYKAUUPPJU-UHFFFAOYSA-N 0 1 263.356 3.549 20 0 CHADMN COCc1csc(CN[C@H](c2ccccn2)C2CC2)c1 ZINC000922582701 1120556197 /nfs/dbraw/zinc/55/61/97/1120556197.db2.gz POCPKGCSKOMQSI-INIZCTEOSA-N 0 1 288.416 3.530 20 0 CHADMN C[C@@H](CN[C@H](c1ncc[nH]1)c1ccc(F)cc1)C(C)(C)C ZINC000783245980 1120557416 /nfs/dbraw/zinc/55/74/16/1120557416.db2.gz QOVNLXFSOUKVNB-WFASDCNBSA-N 0 1 289.398 3.910 20 0 CHADMN C[C@H](NCc1sccc1Cl)c1cccnc1 ZINC000192981917 1120561790 /nfs/dbraw/zinc/56/17/90/1120561790.db2.gz MWEXDZZOBIFMMX-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN Clc1ccc2[nH]cc(CN3CCC[C@@]4(CCO4)C3)c2c1 ZINC001137714864 1120562288 /nfs/dbraw/zinc/56/22/88/1120562288.db2.gz YCLRHLXJHDCSGX-MRXNPFEDSA-N 0 1 290.794 3.576 20 0 CHADMN Clc1ccc2[nH]cc(C[N@H+]3CCC[C@@]4(CCO4)C3)c2c1 ZINC001137714864 1120562284 /nfs/dbraw/zinc/56/22/84/1120562284.db2.gz YCLRHLXJHDCSGX-MRXNPFEDSA-N 0 1 290.794 3.576 20 0 CHADMN Cc1csc(CN[C@@H](C)COCC2CCCCC2)n1 ZINC000922602259 1120562554 /nfs/dbraw/zinc/56/25/54/1120562554.db2.gz KGXYORWUCQUHEL-LBPRGKRZSA-N 0 1 282.453 3.527 20 0 CHADMN CCc1cc(CN[C@@H](C)c2ccc(Cl)s2)[nH]n1 ZINC000765993187 1120563777 /nfs/dbraw/zinc/56/37/77/1120563777.db2.gz LPKNLROHUOMVAF-QMMMGPOBSA-N 0 1 269.801 3.538 20 0 CHADMN CCc1cc(CN[C@@H](C)c2ccc(Cl)s2)n[nH]1 ZINC000765993187 1120563781 /nfs/dbraw/zinc/56/37/81/1120563781.db2.gz LPKNLROHUOMVAF-QMMMGPOBSA-N 0 1 269.801 3.538 20 0 CHADMN Cc1nc([C@H](C)N2CCC(C)(C)CC(C)(C)C2)no1 ZINC000661627760 1120572006 /nfs/dbraw/zinc/57/20/06/1120572006.db2.gz QKODOMHUUIOHQQ-NSHDSACASA-N 0 1 265.401 3.587 20 0 CHADMN CCc1cc(CN[C@H](C)c2ccc(C(C)C)cc2)[nH]n1 ZINC000765993845 1120574383 /nfs/dbraw/zinc/57/43/83/1120574383.db2.gz NIDRGRSMDOAHDY-CYBMUJFWSA-N 0 1 271.408 3.946 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1ccoc1)[C@H]2C ZINC000781928185 1120576673 /nfs/dbraw/zinc/57/66/73/1120576673.db2.gz UGHBVWQLHCFHRR-STQMWFEESA-N 0 1 271.360 3.796 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(C)co2)cc1C ZINC000922674798 1120578923 /nfs/dbraw/zinc/57/89/23/1120578923.db2.gz NXKUUAKTRKBAGB-ZDUSSCGKSA-N 0 1 259.349 3.756 20 0 CHADMN CCc1nc(C)c(CN2CCC(C)=C(c3ccco3)C2)o1 ZINC000428945678 1120581492 /nfs/dbraw/zinc/58/14/92/1120581492.db2.gz ZSVNCGGNWDAMCY-UHFFFAOYSA-N 0 1 286.375 3.818 20 0 CHADMN CCc1cc(CN[C@@H](C)c2cc(C)sc2C)[nH]n1 ZINC000765996394 1120582534 /nfs/dbraw/zinc/58/25/34/1120582534.db2.gz ZVWQMPIIJOXTNM-JTQLQIEISA-N 0 1 263.410 3.501 20 0 CHADMN CC[C@@H]1CCC[C@H]1N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000660409856 1120586757 /nfs/dbraw/zinc/58/67/57/1120586757.db2.gz IJRGDERTYGWBFP-UMVBOHGHSA-N 0 1 285.391 3.966 20 0 CHADMN CC[C@@H]1CCC[C@@H]1N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000660409855 1120586971 /nfs/dbraw/zinc/58/69/71/1120586971.db2.gz IJRGDERTYGWBFP-NFAWXSAZSA-N 0 1 285.391 3.966 20 0 CHADMN C[C@@H](NCc1cccnc1)c1cc(Br)cs1 ZINC000193939138 1120587681 /nfs/dbraw/zinc/58/76/81/1120587681.db2.gz FJOKTFMRBGXHJJ-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN CC(C)c1nc(CN2C[C@H](C)CC[C@@H]2c2ccccc2)n[nH]1 ZINC000428977185 1120594009 /nfs/dbraw/zinc/59/40/09/1120594009.db2.gz MSQDPWNRKNLDOJ-GDBMZVCRSA-N 0 1 298.434 3.901 20 0 CHADMN CCCc1nc(C)c(CN2CC[C@H](CC(F)(F)F)C2)o1 ZINC000428982071 1120598029 /nfs/dbraw/zinc/59/80/29/1120598029.db2.gz AJLUAHFXEVBBQH-LLVKDONJSA-N 0 1 290.329 3.710 20 0 CHADMN C=Cn1cc(CN[C@H](C)c2cc(C)sc2C)cn1 ZINC000194348589 1120598241 /nfs/dbraw/zinc/59/82/41/1120598241.db2.gz RLIMUBMTSCSUDH-LLVKDONJSA-N 0 1 261.394 3.513 20 0 CHADMN Fc1cccc2c1CN([C@@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168735037 1120599473 /nfs/dbraw/zinc/59/94/73/1120599473.db2.gz ODTWBKCGHXHTMF-CYBMUJFWSA-N 0 1 287.765 3.962 20 0 CHADMN CCO[C@H](CNCc1cccnc1Cl)c1ccccc1 ZINC000194462923 1120600449 /nfs/dbraw/zinc/60/04/49/1120600449.db2.gz AHCULTHNDWEHRA-OAHLLOKOSA-N 0 1 290.794 3.602 20 0 CHADMN C[C@H](CF)NCC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000673619119 1120602979 /nfs/dbraw/zinc/60/29/79/1120602979.db2.gz CFHRLTQPWQCIGF-MRVPVSSYSA-N 0 1 290.165 3.717 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCOC[C@H](C2CCC2)C1 ZINC000429009607 1120614212 /nfs/dbraw/zinc/61/42/12/1120614212.db2.gz OJBXACHBELEOOL-SWLSCSKDSA-N 0 1 295.373 3.774 20 0 CHADMN Cn1cc(-c2cccc([C@@H]3COCCN3)c2)c2ccccc21 ZINC000629744546 1128932620 /nfs/dbraw/zinc/93/26/20/1128932620.db2.gz KKICVPNSZUFANO-SFHVURJKSA-N 0 1 292.382 3.506 20 0 CHADMN COc1ccc2nc(SCc3ncccc3C)[nH]c2c1 ZINC000092850031 1128932617 /nfs/dbraw/zinc/93/26/17/1128932617.db2.gz CQHYURGYUHTUPC-UHFFFAOYSA-N 0 1 285.372 3.567 20 0 CHADMN Cc1ccc(-c2ccc(CN(C)C)c(F)c2)cc1O ZINC000629709384 1128928643 /nfs/dbraw/zinc/92/86/43/1128928643.db2.gz UXDFPVFMWPOCNT-UHFFFAOYSA-N 0 1 259.324 3.568 20 0 CHADMN CCc1nnc([C@@H](C)[N@H+]2CC[C@H](c3ccc(C)cc3C)C2)[nH]1 ZINC000660450056 1120619736 /nfs/dbraw/zinc/61/97/36/1120619736.db2.gz XEULWZIAXKCUND-CABCVRRESA-N 0 1 298.434 3.534 20 0 CHADMN CCc1nnc([C@@H](C)N2CC[C@H](c3ccc(C)cc3C)C2)[nH]1 ZINC000660450056 1120619738 /nfs/dbraw/zinc/61/97/38/1120619738.db2.gz XEULWZIAXKCUND-CABCVRRESA-N 0 1 298.434 3.534 20 0 CHADMN CCc1nnc([C@H](C)[N@H+]2CC[C@@H](c3ccc(C)cc3C)C2)[nH]1 ZINC000660450065 1120619762 /nfs/dbraw/zinc/61/97/62/1120619762.db2.gz XEULWZIAXKCUND-LSDHHAIUSA-N 0 1 298.434 3.534 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@@H](c3ccc(C)cc3C)C2)[nH]1 ZINC000660450065 1120619764 /nfs/dbraw/zinc/61/97/64/1120619764.db2.gz XEULWZIAXKCUND-LSDHHAIUSA-N 0 1 298.434 3.534 20 0 CHADMN CCCOc1ccc([C@@H](C)NCc2cc(CC)n[nH]2)cc1 ZINC000766005693 1120619778 /nfs/dbraw/zinc/61/97/78/1120619778.db2.gz XITHUOPKZCBOFG-CYBMUJFWSA-N 0 1 287.407 3.612 20 0 CHADMN CCC1(CC)CCCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000618666824 1128928850 /nfs/dbraw/zinc/92/88/50/1128928850.db2.gz HMLPJMDIDVRNDA-UHFFFAOYSA-N 0 1 299.418 3.914 20 0 CHADMN Fc1ccc(CN2CCOC[C@@H](C3CCC3)C2)c(Cl)c1 ZINC000429033604 1120623039 /nfs/dbraw/zinc/62/30/39/1120623039.db2.gz ZZYZOQLQXHLEEJ-AWEZNQCLSA-N 0 1 297.801 3.728 20 0 CHADMN CCOCCCSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000125723887 1120623469 /nfs/dbraw/zinc/62/34/69/1120623469.db2.gz INKXEFPAULDEMZ-UHFFFAOYSA-N 0 1 290.432 3.828 20 0 CHADMN CC(C)SCCN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000282409417 1120627166 /nfs/dbraw/zinc/62/71/66/1120627166.db2.gz FXKQPNLUXXBSNK-MRVPVSSYSA-N 0 1 298.399 3.954 20 0 CHADMN COCCCN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432012254 1120627306 /nfs/dbraw/zinc/62/73/06/1120627306.db2.gz LQVLXYDVWUGINU-OAHLLOKOSA-N 0 1 269.335 3.528 20 0 CHADMN COc1ccc([C@H](NCc2nc(C)c(C)[nH]2)C2CCC2)cc1 ZINC000922886780 1120631638 /nfs/dbraw/zinc/63/16/38/1120631638.db2.gz GDINUZPEOVEEPF-GOSISDBHSA-N 0 1 299.418 3.666 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)Cc2ccncc2Br)C1 ZINC000625082716 1120631673 /nfs/dbraw/zinc/63/16/73/1120631673.db2.gz COKGJQNQBYJPPA-WCQYABFASA-N 0 1 297.240 3.855 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@@H+](C)CCOC1CCOCC1 ZINC000625090378 1120632161 /nfs/dbraw/zinc/63/21/61/1120632161.db2.gz UMSNWTJGBMOQOX-ZDUSSCGKSA-N 0 1 297.826 3.528 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)CCOC1CCOCC1 ZINC000625090378 1120632164 /nfs/dbraw/zinc/63/21/64/1120632164.db2.gz UMSNWTJGBMOQOX-ZDUSSCGKSA-N 0 1 297.826 3.528 20 0 CHADMN CCN(CCCC(C)C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000429062556 1120635145 /nfs/dbraw/zinc/63/51/45/1120635145.db2.gz HPQQECQGLGAFKL-UHFFFAOYSA-N 0 1 287.407 3.594 20 0 CHADMN COc1cc(CN(C)C(C)(C)c2ccccc2)sn1 ZINC000660496472 1120640526 /nfs/dbraw/zinc/64/05/26/1120640526.db2.gz PQWVXLQSBFCRNJ-UHFFFAOYSA-N 0 1 276.405 3.519 20 0 CHADMN CC[C@@H]1CCCCN1C(=O)c1ccc(CN(CC)CC)o1 ZINC000047220113 1120642421 /nfs/dbraw/zinc/64/24/21/1120642421.db2.gz UHJHZWNNLFBKLA-CQSZACIVSA-N 0 1 292.423 3.526 20 0 CHADMN CCC[C@@H](C)CCCN1CCN([C@H](C)C(F)(F)F)CC1 ZINC000625214175 1120648173 /nfs/dbraw/zinc/64/81/73/1120648173.db2.gz FTXMJBPXFUQDLC-ZIAGYGMSSA-N 0 1 294.405 3.771 20 0 CHADMN Cc1nc(CN2C[C@H](C)CC[C@@H]2c2ccccc2)co1 ZINC000660538748 1120654755 /nfs/dbraw/zinc/65/47/55/1120654755.db2.gz IDQLEUIOCSUIGD-CXAGYDPISA-N 0 1 270.376 3.956 20 0 CHADMN C[C@H]1CCN(Cc2ccnc(Cl)c2)CC1(C)C ZINC000759921049 1120656447 /nfs/dbraw/zinc/65/64/47/1120656447.db2.gz HJXVVMWIYGYGGW-NSHDSACASA-N 0 1 252.789 3.603 20 0 CHADMN CO[C@H](CN[C@H](C)c1c(F)cncc1F)C1CCCCC1 ZINC000660551683 1120656565 /nfs/dbraw/zinc/65/65/65/1120656565.db2.gz NCDVWPPAUTZDLS-IAQYHMDHSA-N 0 1 298.377 3.606 20 0 CHADMN c1ccc2c(C[N@H+]3CC[C@H](c4ccncc4)C3)nsc2c1 ZINC000660574397 1120661753 /nfs/dbraw/zinc/66/17/53/1120661753.db2.gz PSSTYUHXPOEQND-AWEZNQCLSA-N 0 1 295.411 3.681 20 0 CHADMN Fc1cccc(CCN2CC[C@@H]2c2ccccc2)c1F ZINC000544143751 1120664869 /nfs/dbraw/zinc/66/48/69/1120664869.db2.gz JCRAGTPBZAKBLJ-MRXNPFEDSA-N 0 1 273.326 3.954 20 0 CHADMN CCOC1(C)CCN(Cc2nsc3ccccc32)CC1 ZINC000660605372 1120667312 /nfs/dbraw/zinc/66/73/12/1120667312.db2.gz HOXQURJLCSURSD-UHFFFAOYSA-N 0 1 290.432 3.687 20 0 CHADMN CC(C)[C@H]1CCCC[C@@H]1NCc1noc(C2CCC2)n1 ZINC000625320629 1120667990 /nfs/dbraw/zinc/66/79/90/1120667990.db2.gz CIMDTEGKVWHRPK-KGLIPLIRSA-N 0 1 277.412 3.642 20 0 CHADMN COC(=O)C1(N(C)Cc2c(C)cc(C)cc2C)CCCC1 ZINC001167771913 1120670854 /nfs/dbraw/zinc/67/08/54/1120670854.db2.gz CLWJYBDXIQXCBE-UHFFFAOYSA-N 0 1 289.419 3.529 20 0 CHADMN Cc1ccc2sc(CN3CCS[C@@H](C)CC3)nc2c1 ZINC000625373406 1120673697 /nfs/dbraw/zinc/67/36/97/1120673697.db2.gz JNBLZLXFQQRDLV-LBPRGKRZSA-N 0 1 292.473 3.932 20 0 CHADMN CC[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000642330218 1120675884 /nfs/dbraw/zinc/67/58/84/1120675884.db2.gz XZPXOWZVJAXAAA-KGLIPLIRSA-N 0 1 292.398 3.583 20 0 CHADMN COC(=O)C1(N(C)Cc2cccc3ccccc32)CCCC1 ZINC001167772639 1120678919 /nfs/dbraw/zinc/67/89/19/1120678919.db2.gz VQGCPGHRMDCBSJ-UHFFFAOYSA-N 0 1 297.398 3.757 20 0 CHADMN Clc1ccc2ncc(CN3CCC[C@H]4CCC[C@H]43)n2c1 ZINC000511872699 1120682246 /nfs/dbraw/zinc/68/22/46/1120682246.db2.gz IZXRHEJMUDJRBF-IUODEOHRSA-N 0 1 289.810 3.752 20 0 CHADMN CCC[C@@H](C)CCC[NH2+]C(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000625462199 1120685545 /nfs/dbraw/zinc/68/55/45/1120685545.db2.gz UGPZTFLKOIHIFO-GFCCVEGCSA-N 0 1 279.428 3.532 20 0 CHADMN CN(CCCC(C)(C)C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660765465 1120687066 /nfs/dbraw/zinc/68/70/66/1120687066.db2.gz WAXBOODFTOBBHQ-HNNXBMFYSA-N 0 1 286.423 3.652 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1cc2cnccc2o1 ZINC000651644956 1120691676 /nfs/dbraw/zinc/69/16/76/1120691676.db2.gz CRTFUTMQPSJYBE-ZDUSSCGKSA-N 0 1 278.355 3.775 20 0 CHADMN Cc1nc(CN2CC(C)(C)C[C@H]2c2ccccc2)co1 ZINC000660865616 1120695161 /nfs/dbraw/zinc/69/51/61/1120695161.db2.gz YPJDUZLNMKRHRQ-INIZCTEOSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1cccc(C2(NCc3cc(C)nc(C)n3)CCC2)c1 ZINC000660901277 1120697741 /nfs/dbraw/zinc/69/77/41/1120697741.db2.gz WMIFBWZZGDPAIN-UHFFFAOYSA-N 0 1 281.403 3.571 20 0 CHADMN C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1CC1CC=CC1 ZINC000660902979 1120698158 /nfs/dbraw/zinc/69/81/58/1120698158.db2.gz JDMWQGTUKWTDIB-DYVFJYSZSA-N 0 1 275.367 3.554 20 0 CHADMN CC(C)Oc1ncccc1CNCc1cccc2c1CCC2 ZINC000651663496 1120698165 /nfs/dbraw/zinc/69/81/65/1120698165.db2.gz MVPRZHHTWNATEH-UHFFFAOYSA-N 0 1 296.414 3.647 20 0 CHADMN COC(=O)c1cccc(Cl)c1CN1CC[C@@H]2CCC[C@H]21 ZINC000509178874 1120702172 /nfs/dbraw/zinc/70/21/72/1120702172.db2.gz MOKHLJGMJVXLEE-XHDPSFHLSA-N 0 1 293.794 3.501 20 0 CHADMN Fc1ccccc1CNCc1cccc2c1CCC2 ZINC000651667670 1120703322 /nfs/dbraw/zinc/70/33/22/1120703322.db2.gz MOILZDYYFQUVOW-UHFFFAOYSA-N 0 1 255.336 3.604 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@H](C)CC1 ZINC000253613417 1128935088 /nfs/dbraw/zinc/93/50/88/1128935088.db2.gz XJLVFJHYEWKXAU-QWHCGFSZSA-N 0 1 285.391 3.518 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000893421080 1120716981 /nfs/dbraw/zinc/71/69/81/1120716981.db2.gz PXMQUARGONWKIH-KGLIPLIRSA-N 0 1 282.387 3.598 20 0 CHADMN FC(F)c1noc(CN[C@H]2CCCC23CCCCC3)n1 ZINC000661127472 1120721751 /nfs/dbraw/zinc/72/17/51/1120721751.db2.gz LEAIFFCPIWKKAM-JTQLQIEISA-N 0 1 285.338 3.600 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cccc2c1CCC2 ZINC000651716734 1120721759 /nfs/dbraw/zinc/72/17/59/1120721759.db2.gz GTOBVNKXOIHQDW-NSHDSACASA-N 0 1 270.376 3.631 20 0 CHADMN CCc1noc([C@H](C)N[C@H]2CCCC23CCCCC3)n1 ZINC000661126893 1120721875 /nfs/dbraw/zinc/72/18/75/1120721875.db2.gz ALAKXHBSQVZVNM-STQMWFEESA-N 0 1 277.412 3.786 20 0 CHADMN CC(C)(C)[N@@H+](Cc1ccsc1)Cc1ccncc1 ZINC000661135737 1120724168 /nfs/dbraw/zinc/72/41/68/1120724168.db2.gz JZIDKRZHADSHEQ-UHFFFAOYSA-N 0 1 260.406 3.944 20 0 CHADMN Cc1nc(CNCc2cccc3c2CCC3)sc1C ZINC000651723174 1120725040 /nfs/dbraw/zinc/72/50/40/1120725040.db2.gz GEBKUXGSFSLIHI-UHFFFAOYSA-N 0 1 272.417 3.538 20 0 CHADMN Cc1cnc(CN2CCC[C@H]2c2c(C)cccc2C)nc1 ZINC000661131925 1120725246 /nfs/dbraw/zinc/72/52/46/1120725246.db2.gz FDHAUNDEFVJXGF-INIZCTEOSA-N 0 1 281.403 3.739 20 0 CHADMN CCOc1nnc(CN[C@H]2CCCC23CCCCC3)s1 ZINC000661128644 1120725481 /nfs/dbraw/zinc/72/54/81/1120725481.db2.gz LPRBDIWZTMGSBJ-LBPRGKRZSA-N 0 1 295.452 3.529 20 0 CHADMN COc1ccc(CN2CCC(c3ccco3)CC2)cc1F ZINC000661161527 1120729466 /nfs/dbraw/zinc/72/94/66/1120729466.db2.gz STOBKHVJLVHYCD-UHFFFAOYSA-N 0 1 289.350 3.807 20 0 CHADMN COc1ccc(F)cc1CN1CCC(c2ccco2)CC1 ZINC000661164423 1120730094 /nfs/dbraw/zinc/73/00/94/1120730094.db2.gz GEVLKEMNOKAPFA-UHFFFAOYSA-N 0 1 289.350 3.807 20 0 CHADMN CCC1(CC)CCC(NCc2nnc(C)s2)CC1 ZINC000651757820 1120736011 /nfs/dbraw/zinc/73/60/11/1120736011.db2.gz DSGCMRKTALRPDG-UHFFFAOYSA-N 0 1 267.442 3.685 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN(CCC(C)C)C2CC2)c1 ZINC000044898430 1120737582 /nfs/dbraw/zinc/73/75/82/1120737582.db2.gz BZXDDVZRJBBUJC-UHFFFAOYSA-N 0 1 288.435 3.752 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc2cnccc2o1 ZINC000651766854 1120739073 /nfs/dbraw/zinc/73/90/73/1120739073.db2.gz WYANXHWIBGHCSF-ZWNOBZJWSA-N 0 1 298.308 3.991 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1cc2cnccc2o1 ZINC000651766854 1120739078 /nfs/dbraw/zinc/73/90/78/1120739078.db2.gz WYANXHWIBGHCSF-ZWNOBZJWSA-N 0 1 298.308 3.991 20 0 CHADMN CCc1nnc([C@@H](C)N2CCCC3(CCCC3)CC2)o1 ZINC000661226869 1120741697 /nfs/dbraw/zinc/74/16/97/1120741697.db2.gz DOTYUUOCVUXVIQ-CYBMUJFWSA-N 0 1 277.412 3.739 20 0 CHADMN Fc1cnccc1C[N@H+]1CCCC2(CCCC2)CC1 ZINC000661231593 1120742072 /nfs/dbraw/zinc/74/20/72/1120742072.db2.gz PUGLYZAHSXNJHP-UHFFFAOYSA-N 0 1 262.372 3.767 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1nnc(-c2cc(C)oc2C)o1 ZINC000661234708 1120742566 /nfs/dbraw/zinc/74/25/66/1120742566.db2.gz OSPUONWQEVQOIR-LBPRGKRZSA-N 0 1 291.395 3.861 20 0 CHADMN CCc1cccc(CNCc2ccc(Br)o2)c1 ZINC000651780342 1120743473 /nfs/dbraw/zinc/74/34/73/1120743473.db2.gz GLRIPUAELFUPFA-UHFFFAOYSA-N 0 1 294.192 3.894 20 0 CHADMN Fc1cccc2c1OCC[C@H]2NCc1cccc2c1CCC2 ZINC000651780161 1120743960 /nfs/dbraw/zinc/74/39/60/1120743960.db2.gz ATWQRCPPJFGBIP-GOSISDBHSA-N 0 1 297.373 3.928 20 0 CHADMN [O-]c1cccc2c(N3CC(c4ccccc4F)C3)cc[nH+]c12 ZINC000643178323 1120744536 /nfs/dbraw/zinc/74/45/36/1120744536.db2.gz IABPRWOYQCHRBX-UHFFFAOYSA-N 0 1 294.329 3.683 20 0 CHADMN c1cncc(CN(Cc2cccc3c2CCC3)C2CC2)c1 ZINC000651809757 1120751400 /nfs/dbraw/zinc/75/14/00/1120751400.db2.gz GOQFFLRGWITYNL-UHFFFAOYSA-N 0 1 278.399 3.735 20 0 CHADMN COCc1ccc(CNC2(c3ccccc3C)CCC2)o1 ZINC000651862423 1120764651 /nfs/dbraw/zinc/76/46/51/1120764651.db2.gz QHYOCOGJEOANFW-UHFFFAOYSA-N 0 1 285.387 3.903 20 0 CHADMN c1coc([C@H]2N(CCOCC3CC3)CC23CCCC3)c1 ZINC000661448086 1120767519 /nfs/dbraw/zinc/76/75/19/1120767519.db2.gz ZVSJOFOGISEBHR-MRXNPFEDSA-N 0 1 275.392 3.623 20 0 CHADMN Cc1cc(C[N@@H+]2CC3(CCC3)OC[C@H]2C)c(C)s1 ZINC000661461291 1120768335 /nfs/dbraw/zinc/76/83/35/1120768335.db2.gz BSDWWXGYSWWFKX-LLVKDONJSA-N 0 1 265.422 3.508 20 0 CHADMN Cc1cc(CN2CC3(CCC3)OC[C@H]2C)c(C)s1 ZINC000661461291 1120768339 /nfs/dbraw/zinc/76/83/39/1120768339.db2.gz BSDWWXGYSWWFKX-LLVKDONJSA-N 0 1 265.422 3.508 20 0 CHADMN C[C@H](O)[C@@H](NCc1cccc2c1CCC2)c1ccccc1F ZINC000651891995 1120771223 /nfs/dbraw/zinc/77/12/23/1120771223.db2.gz YHYXKIRFJNECOG-ORAYPTAESA-N 0 1 299.389 3.526 20 0 CHADMN C[C@@]12COC[C@]1(C)CN(Cc1cccc(C(F)(F)F)c1)C2 ZINC000661497230 1120771453 /nfs/dbraw/zinc/77/14/53/1120771453.db2.gz RBAJHJJPSGQWLK-GASCZTMLSA-N 0 1 299.336 3.564 20 0 CHADMN CCc1ccc(CN[C@@H](c2ccccc2F)[C@@H](C)O)s1 ZINC000651892566 1120771458 /nfs/dbraw/zinc/77/14/58/1120771458.db2.gz BHHJXVNRJDROGD-BDJLRTHQSA-N 0 1 293.407 3.661 20 0 CHADMN Cc1nc2cc(NCc3ccccc3C)ccc2n1C ZINC000151961578 1120773760 /nfs/dbraw/zinc/77/37/60/1120773760.db2.gz WJMNMYHVOQTOEE-UHFFFAOYSA-N 0 1 265.360 3.802 20 0 CHADMN CC[C@H](OCCNCc1ccc(C)o1)c1ccccc1 ZINC000651907950 1120774685 /nfs/dbraw/zinc/77/46/85/1120774685.db2.gz MSYLSGWTJCTRDH-KRWDZBQOSA-N 0 1 273.376 3.846 20 0 CHADMN Fc1cc(F)c(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1F ZINC000511893498 1120779668 /nfs/dbraw/zinc/77/96/68/1120779668.db2.gz YTENAKMIAKPSPO-MEBBXXQBSA-N 0 1 269.310 3.868 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CC[C@H](C2CCCCC2)C1 ZINC000661582765 1120783368 /nfs/dbraw/zinc/78/33/68/1120783368.db2.gz DTZSLXUULYAVIY-WFASDCNBSA-N 0 1 289.423 3.910 20 0 CHADMN Cc1c[nH]nc1CN1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000651937857 1120785992 /nfs/dbraw/zinc/78/59/92/1120785992.db2.gz AOPODFVDNVDLER-LBPRGKRZSA-N 0 1 289.810 3.533 20 0 CHADMN C[C@H](c1csnn1)N1CCC(C)(C)CC(C)(C)C1 ZINC000661627252 1120787698 /nfs/dbraw/zinc/78/76/98/1120787698.db2.gz OVIZXETZEDKDPT-LLVKDONJSA-N 0 1 267.442 3.747 20 0 CHADMN Cn1cccc1CN[C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000651949681 1120789784 /nfs/dbraw/zinc/78/97/84/1120789784.db2.gz RCAZVNHZFZKHJB-OAHLLOKOSA-N 0 1 288.366 3.556 20 0 CHADMN CCC1(CC)CCCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000661674647 1120793268 /nfs/dbraw/zinc/79/32/68/1120793268.db2.gz MECNLMAETLPLHA-UHFFFAOYSA-N 0 1 289.379 3.732 20 0 CHADMN FCC[C@H]1CCCN(Cc2cc(-c3ccco3)on2)C1 ZINC000661694881 1120796022 /nfs/dbraw/zinc/79/60/22/1120796022.db2.gz JTEDCTRGDMMGMG-GFCCVEGCSA-N 0 1 278.327 3.506 20 0 CHADMN FCC[C@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000661697879 1120796870 /nfs/dbraw/zinc/79/68/70/1120796870.db2.gz SQHTURJXSRBPDZ-CQSZACIVSA-N 0 1 288.366 3.913 20 0 CHADMN CCC[C@H](C)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000048071204 1120801146 /nfs/dbraw/zinc/80/11/46/1120801146.db2.gz BEMJFWNKUAFUMI-ZDUSSCGKSA-N 0 1 273.380 3.665 20 0 CHADMN COc1ccc(CNc2ccc3c(c2)nc(C)n3C)cc1F ZINC000151974179 1120802492 /nfs/dbraw/zinc/80/24/92/1120802492.db2.gz ZSOZUALCMPBYNQ-UHFFFAOYSA-N 0 1 299.349 3.642 20 0 CHADMN CC[C@H](OCCN[C@@H]1C[C@H](C)n2ccnc21)c1ccccc1 ZINC000652235644 1120802549 /nfs/dbraw/zinc/80/25/49/1120802549.db2.gz NOMJBFMMLIZYBO-UAGQMJEPSA-N 0 1 299.418 3.646 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H]1N[C@H](C)c1cscn1 ZINC000652240386 1120802766 /nfs/dbraw/zinc/80/27/66/1120802766.db2.gz YYQVRKCSBJEHGV-KWCYVHTRSA-N 0 1 258.390 3.658 20 0 CHADMN CCn1nc(CN2CCC[C@H]3CCC[C@H]32)c2ccccc21 ZINC000473146534 1120815144 /nfs/dbraw/zinc/81/51/44/1120815144.db2.gz AIGPJMBNOYEBMI-RHSMWYFYSA-N 0 1 283.419 3.821 20 0 CHADMN Cc1nccc(CN[C@@H](c2ccc(Cl)cc2)C(C)C)n1 ZINC000054790341 1120817792 /nfs/dbraw/zinc/81/77/92/1120817792.db2.gz PDMZMGUAEGPQPF-MRXNPFEDSA-N 0 1 289.810 3.925 20 0 CHADMN Cc1ccc2[nH]c(C[N@H+]3CCC[C@H]4COCC[C@H]43)cc2c1C ZINC000473149821 1120819492 /nfs/dbraw/zinc/81/94/92/1120819492.db2.gz LFLPLPPMVLCMCD-HNAYVOBHSA-N 0 1 298.430 3.786 20 0 CHADMN Cc1ccc2[nH]c(CN3CCC[C@H]4COCC[C@H]43)cc2c1C ZINC000473149821 1120819495 /nfs/dbraw/zinc/81/94/95/1120819495.db2.gz LFLPLPPMVLCMCD-HNAYVOBHSA-N 0 1 298.430 3.786 20 0 CHADMN Cc1nc(CN2CCC([C@@H]3CCCCO3)CC2)sc1C ZINC000661862783 1120826267 /nfs/dbraw/zinc/82/62/67/1120826267.db2.gz KBXTUZILSUQPIC-HNNXBMFYSA-N 0 1 294.464 3.541 20 0 CHADMN COCC(C)(C)NCc1ccc(F)c(Cl)c1Cl ZINC000432241974 1120839656 /nfs/dbraw/zinc/83/96/56/1120839656.db2.gz UWHQTMMBZNVEHT-UHFFFAOYSA-N 0 1 280.170 3.647 20 0 CHADMN CO[C@H](CN[C@@H](C)c1cccnc1Cl)c1ccccc1 ZINC000178457675 1120831835 /nfs/dbraw/zinc/83/18/35/1120831835.db2.gz GKYUIAVZYGQMFG-SWLSCSKDSA-N 0 1 290.794 3.773 20 0 CHADMN COc1cc(CN2CC3CC(C3)C2)cc(C(F)(F)F)c1 ZINC001143518989 1120833717 /nfs/dbraw/zinc/83/37/17/1120833717.db2.gz DYBZPDQVTOVASL-UHFFFAOYSA-N 0 1 285.309 3.556 20 0 CHADMN CN(CCc1ccccc1)Cc1ccn(-c2ccccc2)n1 ZINC000613848823 1120833889 /nfs/dbraw/zinc/83/38/89/1120833889.db2.gz RBMMRDVSCQCCRN-UHFFFAOYSA-N 0 1 291.398 3.547 20 0 CHADMN CCC(=O)[C@H](C)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000048597052 1120834602 /nfs/dbraw/zinc/83/46/02/1120834602.db2.gz HRLXNPGVYVLJKN-QMMMGPOBSA-N 0 1 295.795 3.585 20 0 CHADMN c1csc([C@@H](NC2CCSCC2)c2ccccc2)n1 ZINC000236760675 1120839440 /nfs/dbraw/zinc/83/94/40/1120839440.db2.gz VWIJSIWJXQZNRD-AWEZNQCLSA-N 0 1 290.457 3.718 20 0 CHADMN C[C@@H](c1ccccc1F)N1CCC2(CCCC2=O)CC1 ZINC000661953321 1120845449 /nfs/dbraw/zinc/84/54/49/1120845449.db2.gz AEEAEGQJVVDLGR-ZDUSSCGKSA-N 0 1 275.367 3.722 20 0 CHADMN CC(C)(C)C[C@H](O)CNCc1csc(Cl)c1Cl ZINC000432253440 1120845702 /nfs/dbraw/zinc/84/57/02/1120845702.db2.gz NJSLLWPCPUWAJY-VIFPVBQESA-N 0 1 296.263 3.942 20 0 CHADMN Cc1cc(C)c(NC(=O)CN(C)CCC(C)C)c(Cl)c1 ZINC000049237484 1120854900 /nfs/dbraw/zinc/85/49/00/1120854900.db2.gz GZDCGFWHFLXRMP-UHFFFAOYSA-N 0 1 296.842 3.873 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000652405387 1120856646 /nfs/dbraw/zinc/85/66/46/1120856646.db2.gz IYKPCRLKLYXKSS-SJORKVTESA-N 0 1 289.419 3.503 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000652408855 1120856860 /nfs/dbraw/zinc/85/68/60/1120856860.db2.gz AEKKOFFWHQGCID-DLBZAZTESA-N 0 1 289.419 3.900 20 0 CHADMN C[N@@H+](CCC(C)(C)C)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000652417098 1120859454 /nfs/dbraw/zinc/85/94/54/1120859454.db2.gz XHTVRYQSAHPNGP-ZDUSSCGKSA-N 0 1 283.799 3.834 20 0 CHADMN CC[C@H]1CCCCC[N@H+]1CC[C@H](C(=O)[O-])c1ccccc1 ZINC000652420983 1120860000 /nfs/dbraw/zinc/86/00/00/1120860000.db2.gz SSUASHQMMSPSMZ-IRXDYDNUSA-N 0 1 289.419 3.900 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N2[C@@H](C)CCC2(C)C)o1 ZINC000662027630 1120861478 /nfs/dbraw/zinc/86/14/78/1120861478.db2.gz RFPKWONCQNWHIG-ZDUSSCGKSA-N 0 1 292.423 3.525 20 0 CHADMN Clc1cccc(CN2CCC(c3ccon3)CC2)c1 ZINC000662042447 1120862774 /nfs/dbraw/zinc/86/27/74/1120862774.db2.gz GYPAWKWMFCBJQY-UHFFFAOYSA-N 0 1 276.767 3.708 20 0 CHADMN C(c1noc2c1CCCC2)N1CCC[C@H](C2CCC2)C1 ZINC000662042476 1120863002 /nfs/dbraw/zinc/86/30/02/1120863002.db2.gz DDHXHUSQNYMENR-AWEZNQCLSA-N 0 1 274.408 3.566 20 0 CHADMN COc1ccc2nc(-c3ccc(C)c(F)c3)[nH]c2c1 ZINC000086576486 1120865385 /nfs/dbraw/zinc/86/53/85/1120865385.db2.gz OKKPDKRGDWNNTR-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CC1(C)C[C@@H](c2ccccc2)[N@@H+](CCCCC(=O)[O-])C1 ZINC000652449962 1120866025 /nfs/dbraw/zinc/86/60/25/1120866025.db2.gz XJDANUHRVNWJAX-HNNXBMFYSA-N 0 1 275.392 3.715 20 0 CHADMN CC(C)CC1(N[C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000662068464 1120869681 /nfs/dbraw/zinc/86/96/81/1120869681.db2.gz HAMSGHPICRANJQ-ZDUSSCGKSA-N 0 1 285.391 3.966 20 0 CHADMN CC[C@H]1CCCN([C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000246762793 1120874975 /nfs/dbraw/zinc/87/49/75/1120874975.db2.gz NUIDSKHWEDFQGC-CABCVRRESA-N 0 1 299.418 3.843 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@@H+](C)Cc1oc2c(cccc2C)c1C ZINC000652510934 1120875063 /nfs/dbraw/zinc/87/50/63/1120875063.db2.gz MOIYTOXSZRUBHG-CQSZACIVSA-N 0 1 289.375 3.735 20 0 CHADMN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000662130584 1120881973 /nfs/dbraw/zinc/88/19/73/1120881973.db2.gz BGQBKGFQGUWRTH-PBNFFQIGSA-N 0 1 297.402 3.659 20 0 CHADMN Fc1ccc(CNCc2cc3ccccc3[nH]2)c(F)c1 ZINC000058474398 1120883184 /nfs/dbraw/zinc/88/31/84/1120883184.db2.gz PZLJZAIJCBTADZ-UHFFFAOYSA-N 0 1 272.298 3.736 20 0 CHADMN CCCCC[C@@H]1CCCCN1Cc1coc(C)n1 ZINC000662155301 1120886525 /nfs/dbraw/zinc/88/65/25/1120886525.db2.gz LOXJPJFGGCKKJO-OAHLLOKOSA-N 0 1 250.386 3.918 20 0 CHADMN Cc1ncc(CN2CCC[C@@H]2c2ccc(F)cc2C)o1 ZINC000628302533 1120887442 /nfs/dbraw/zinc/88/74/42/1120887442.db2.gz HDDQSWUZEAUHET-MRXNPFEDSA-N 0 1 274.339 3.768 20 0 CHADMN CC(C)c1nnc(CN2CCCC[C@H]2CC2CCC2)o1 ZINC000662158851 1120888852 /nfs/dbraw/zinc/88/88/52/1120888852.db2.gz XZJODPHQAHKKOT-AWEZNQCLSA-N 0 1 277.412 3.738 20 0 CHADMN CC(C)n1ncnc1CN1CCC[C@H](C2CCCCC2)C1 ZINC000662200265 1120897141 /nfs/dbraw/zinc/89/71/41/1120897141.db2.gz DWWUWUDJBBRNEL-INIZCTEOSA-N 0 1 290.455 3.651 20 0 CHADMN CCc1ccc(CNC2(c3ccc(F)cc3)CCC2)nc1 ZINC000663241907 1120897985 /nfs/dbraw/zinc/89/79/85/1120897985.db2.gz MEOXKRYMBFJBDS-UHFFFAOYSA-N 0 1 284.378 3.952 20 0 CHADMN CC1(C)CCCC[C@@H]1C[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000662202906 1120898578 /nfs/dbraw/zinc/89/85/78/1120898578.db2.gz AHEULQRCDKSJQJ-WCVJEAGWSA-N 0 1 293.451 3.921 20 0 CHADMN CC(C)c1cccc(-c2nc(C3(N)CCCC3)no2)c1 ZINC000663250078 1120899494 /nfs/dbraw/zinc/89/94/94/1120899494.db2.gz BAXBINVQHPUGBO-UHFFFAOYSA-N 0 1 271.364 3.588 20 0 CHADMN c1ccc(C[C@@H]2CCC[C@@H]2c2nc([C@H]3CCCN3)no2)cc1 ZINC000663252082 1120900300 /nfs/dbraw/zinc/90/03/00/1120900300.db2.gz YPDVIPJUDKSLGC-HRCADAONSA-N 0 1 297.402 3.621 20 0 CHADMN CC(C)c1cccc(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000662210420 1120900603 /nfs/dbraw/zinc/90/06/03/1120900603.db2.gz FXPRDPKZENVIEG-OAHLLOKOSA-N 0 1 289.419 3.887 20 0 CHADMN Fc1ccc(CNc2ccc3c[nH]nc3c2)c(F)c1F ZINC000630069372 1128948722 /nfs/dbraw/zinc/94/87/22/1128948722.db2.gz DZMBDTBGPMYZPU-UHFFFAOYSA-N 0 1 277.249 3.592 20 0 CHADMN CC(C)COc1ccccc1CN(C)CC1=CCSC1 ZINC000662268677 1120914669 /nfs/dbraw/zinc/91/46/69/1120914669.db2.gz HFEKYMUKWLXPTB-UHFFFAOYSA-N 0 1 291.460 3.826 20 0 CHADMN COc1ccc(COCCN2Cc3ccccc3[C@H]2C)cc1 ZINC000662288075 1120920154 /nfs/dbraw/zinc/92/01/54/1120920154.db2.gz BPECAMWAHHAPBR-OAHLLOKOSA-N 0 1 297.398 3.789 20 0 CHADMN Cc1cc(-c2nnc(CN3[C@H](C)CCC[C@@H]3C)o2)c(C)o1 ZINC000161639272 1120923731 /nfs/dbraw/zinc/92/37/31/1120923731.db2.gz ZPZJTJLTZRRWOY-PHIMTYICSA-N 0 1 289.379 3.709 20 0 CHADMN COCC1(NCc2nc(C(C)(C)C)cs2)CCCCC1 ZINC000662340760 1120928127 /nfs/dbraw/zinc/92/81/27/1120928127.db2.gz HSXZTSFLOYDDNH-UHFFFAOYSA-N 0 1 296.480 3.880 20 0 CHADMN CC(C)c1cccc(CN[C@@H](CC(N)=O)c2ccccc2)c1 ZINC000663326142 1120928444 /nfs/dbraw/zinc/92/84/44/1120928444.db2.gz QECQQBSXCCOXTF-SFHVURJKSA-N 0 1 296.414 3.516 20 0 CHADMN Cc1ccc(CN[C@@]2(c3ccccc3)CC2(C)C)nc1 ZINC000662342468 1120928477 /nfs/dbraw/zinc/92/84/77/1120928477.db2.gz FKFASJKPVOYJDP-GOSISDBHSA-N 0 1 266.388 3.805 20 0 CHADMN C[C@H](c1nc(Cc2ccccc2)no1)N(C)C[C@@H]1CC1(C)C ZINC000662344756 1120929523 /nfs/dbraw/zinc/92/95/23/1120929523.db2.gz DQJSVOYDLYEMOR-HIFRSBDPSA-N 0 1 299.418 3.699 20 0 CHADMN C[C@H](c1ncc(-c2ccccc2)o1)N1CC2CC1(C)C2 ZINC000662384454 1120932451 /nfs/dbraw/zinc/93/24/51/1120932451.db2.gz XROZZGUBQFKBNZ-SFYCDEOASA-N 0 1 268.360 3.887 20 0 CHADMN Cc1cc(CNCc2cn(C)nc2C2CC2)ccc1Cl ZINC000893569893 1120932776 /nfs/dbraw/zinc/93/27/76/1120932776.db2.gz VCDFCEWTIPPOIX-UHFFFAOYSA-N 0 1 289.810 3.549 20 0 CHADMN CC12CC(C1)CN2Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000662384519 1120932935 /nfs/dbraw/zinc/93/29/35/1120932935.db2.gz YMZXSCXMUZDRHY-UHFFFAOYSA-N 0 1 290.313 3.604 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@@H](C)N1CC2CC1(C)C2 ZINC000662381537 1120933033 /nfs/dbraw/zinc/93/30/33/1120933033.db2.gz VTHFSLACFITZNJ-WRSVWVKZSA-N 0 1 286.419 3.621 20 0 CHADMN C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cccc3c2OCC3)C1 ZINC000893572783 1120936751 /nfs/dbraw/zinc/93/67/51/1120936751.db2.gz TYSFTGPRTNHFTG-KSSFIOAISA-N 0 1 294.398 3.600 20 0 CHADMN CC(C)n1cc(CN[C@]2(c3ccccc3)CC2(C)C)cn1 ZINC000663338794 1120938764 /nfs/dbraw/zinc/93/87/64/1120938764.db2.gz WKNLZRUUHKDJGM-SFHVURJKSA-N 0 1 283.419 3.879 20 0 CHADMN CC(C)Cn1nccc1CN[C@@]1(c2ccccc2)CC1(C)C ZINC000663340739 1120940323 /nfs/dbraw/zinc/94/03/23/1120940323.db2.gz DWQDYUZWTIFJSH-LJQANCHMSA-N 0 1 297.446 3.954 20 0 CHADMN CCCn1nccc1CN[C@]1(c2ccccc2)CC1(C)C ZINC000663341672 1120940840 /nfs/dbraw/zinc/94/08/40/1120940840.db2.gz QGGSKTGRJFWZIJ-SFHVURJKSA-N 0 1 283.419 3.708 20 0 CHADMN Clc1ncccc1CNCc1ccc(C2CC2)cc1 ZINC000191683971 1128951216 /nfs/dbraw/zinc/95/12/16/1128951216.db2.gz JZLYRPODBDHPOM-UHFFFAOYSA-N 0 1 272.779 3.902 20 0 CHADMN COc1cccc(CN2CC3(CCC3)[C@@H]2C(C)C)c1F ZINC000644835326 1120945662 /nfs/dbraw/zinc/94/56/62/1120945662.db2.gz LYYMHJDSAIZQKG-INIZCTEOSA-N 0 1 277.383 3.845 20 0 CHADMN Cc1ccc(F)cc1CNCc1cnccc1C(F)(F)F ZINC000663354734 1120945825 /nfs/dbraw/zinc/94/58/25/1120945825.db2.gz ZIQCUBOUYZBLPD-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN CCCOc1c(Cl)cc(CN2CC[C@H](C)C2)cc1OC ZINC000511973434 1120951040 /nfs/dbraw/zinc/95/10/40/1120951040.db2.gz QLHXIDOPAGMDQS-LBPRGKRZSA-N 0 1 297.826 3.979 20 0 CHADMN CCN(CCC1CC1)Cc1nc(C(C)(C)C)co1 ZINC000893588677 1120952681 /nfs/dbraw/zinc/95/26/81/1120952681.db2.gz BEUYMCCJPSZDDW-UHFFFAOYSA-N 0 1 250.386 3.594 20 0 CHADMN Cc1ccc2nc(SCC[C@@H]3CCCCO3)[nH]c2c1 ZINC000544625187 1120958109 /nfs/dbraw/zinc/95/81/09/1120958109.db2.gz BGZDELWQMHZLHB-LBPRGKRZSA-N 0 1 276.405 3.923 20 0 CHADMN CC(C)C[C@@H]1CCCCN1C(=O)c1cccc2n[nH]cc21 ZINC000343912800 1120961214 /nfs/dbraw/zinc/96/12/14/1120961214.db2.gz CFXNUWWDZLRNKE-ZDUSSCGKSA-N 0 1 285.391 3.604 20 0 CHADMN CC[C@@H]1CCN1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000644843683 1120972507 /nfs/dbraw/zinc/97/25/07/1120972507.db2.gz WTTQZSKSSIJCRO-OAHLLOKOSA-N 0 1 289.810 3.569 20 0 CHADMN CCCCC[C@H](C)N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000314870897 1120978043 /nfs/dbraw/zinc/97/80/43/1120978043.db2.gz XOKAKNUSYCCCEP-QWRGUYRKSA-N 0 1 284.425 3.549 20 0 CHADMN CCn1nccc1CN[C@H](C)c1ccc(SC)c(F)c1 ZINC000663466731 1120983071 /nfs/dbraw/zinc/98/30/71/1120983071.db2.gz BMVPJXLXALABLT-LLVKDONJSA-N 0 1 293.411 3.615 20 0 CHADMN Cc1cc(C(=O)Nc2cccc(Cl)c2O)c(C)s1 ZINC000604266554 1120984136 /nfs/dbraw/zinc/98/41/36/1120984136.db2.gz VKFZMDBLQPJPNP-UHFFFAOYSA-N 0 1 281.764 3.976 20 0 CHADMN CCc1nocc1CN1CCCCC[C@H]1c1ccncc1 ZINC000350142251 1120994788 /nfs/dbraw/zinc/99/47/88/1120994788.db2.gz HPQKCQHGWQOFJE-KRWDZBQOSA-N 0 1 285.391 3.749 20 0 CHADMN C[C@H](O)C1CCN([C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000304012595 1120999167 /nfs/dbraw/zinc/99/91/67/1120999167.db2.gz BUWPDQCYFPOLOL-QWRGUYRKSA-N 0 1 285.790 3.633 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccccc1)c1ccc(F)c(F)c1 ZINC000343968811 1121005471 /nfs/dbraw/zinc/00/54/71/1121005471.db2.gz BKDPBIXFZMBLMM-PXAZEXFGSA-N 0 1 291.341 3.739 20 0 CHADMN CCc1ccc(CSc2nc(C(C)(C)C)n[nH]2)cc1 ZINC000604931114 1121015702 /nfs/dbraw/zinc/01/57/02/1121015702.db2.gz GILVCRSDSXPUBE-UHFFFAOYSA-N 0 1 275.421 3.957 20 0 CHADMN CCc1ccc(CSc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000604931114 1121015707 /nfs/dbraw/zinc/01/57/07/1121015707.db2.gz GILVCRSDSXPUBE-UHFFFAOYSA-N 0 1 275.421 3.957 20 0 CHADMN CC(C)C[N@@H+](Cc1coc(-c2ccccc2)n1)C1CC1 ZINC000058517888 1121029094 /nfs/dbraw/zinc/02/90/94/1121029094.db2.gz VDXARCKGHVVRNA-UHFFFAOYSA-N 0 1 270.376 3.962 20 0 CHADMN CCCCC[C@@H]1CCCCN1Cc1nn(CC)nc1C ZINC001174779964 1121029619 /nfs/dbraw/zinc/02/96/19/1121029619.db2.gz LIBBOFDSTWCZQL-OAHLLOKOSA-N 0 1 278.444 3.541 20 0 CHADMN CN(C)c1ccccc1CN1CC[C@@H]1c1cccc(F)c1 ZINC000674009723 1121037049 /nfs/dbraw/zinc/03/70/49/1121037049.db2.gz KZTUHRPBLRPHHX-GOSISDBHSA-N 0 1 284.378 3.839 20 0 CHADMN O=C(CCN1CC[C@H]1c1cccc(F)c1)Nc1ccccc1 ZINC000674012330 1121038866 /nfs/dbraw/zinc/03/88/66/1121038866.db2.gz ZEQWIJIKDMLCGJ-KRWDZBQOSA-N 0 1 298.361 3.601 20 0 CHADMN O=C(CCN1CC[C@@H]1c1cccc(F)c1)Nc1ccccc1 ZINC000674012333 1121038941 /nfs/dbraw/zinc/03/89/41/1121038941.db2.gz ZEQWIJIKDMLCGJ-QGZVFWFLSA-N 0 1 298.361 3.601 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2O)C1 ZINC001626093212 1121042810 /nfs/dbraw/zinc/04/28/10/1121042810.db2.gz SZYKELZPGSJJPU-SNVBAGLBSA-N 0 1 297.345 3.569 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(Cl)s1 ZINC000222456847 1121044362 /nfs/dbraw/zinc/04/43/62/1121044362.db2.gz SEMOXJLEKJUKSC-JGVFFNPUSA-N 0 1 255.774 3.536 20 0 CHADMN CC(C)(C)CN(CCC1CCC1)CC(=O)OC(C)(C)C ZINC001174818932 1121044612 /nfs/dbraw/zinc/04/46/12/1121044612.db2.gz SMJZDJPQYIVGCA-UHFFFAOYSA-N 0 1 283.456 3.866 20 0 CHADMN C[C@H]1CN(CCC(=O)c2ccc(F)cc2)C[C@H](C)C1(F)F ZINC000625652114 1121045651 /nfs/dbraw/zinc/04/56/51/1121045651.db2.gz AVLIGHINGFUMKD-RYUDHWBXSA-N 0 1 299.336 3.622 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2F)C[C@H](C)C1(F)F ZINC000625648845 1121046146 /nfs/dbraw/zinc/04/61/46/1121046146.db2.gz RYTBIONTTOGJHD-PHIMTYICSA-N 0 1 257.299 3.549 20 0 CHADMN CCCN(Cc1ccc(F)cc1)Cc1cncc(OC)c1 ZINC000343989718 1121046340 /nfs/dbraw/zinc/04/63/40/1121046340.db2.gz ZGTJHDTXCXVGFJ-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN COc1ccc(Nc2cc(C)nn2-c2ccncc2)cc1C ZINC001174827526 1121046853 /nfs/dbraw/zinc/04/68/53/1121046853.db2.gz GGHLOXOUNJVRBL-UHFFFAOYSA-N 0 1 294.358 3.636 20 0 CHADMN COc1cncc(CN(Cc2ccccc2C)C2CC2)c1 ZINC000343999486 1121050140 /nfs/dbraw/zinc/05/01/40/1121050140.db2.gz YRKFXDIQYODKNM-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN CCN(Cc1ccoc1)[C@@H]1CCc2ccc(F)cc21 ZINC000674047999 1121057708 /nfs/dbraw/zinc/05/77/08/1121057708.db2.gz VWQYYVVYECNCEO-MRXNPFEDSA-N 0 1 259.324 3.928 20 0 CHADMN COc1cncc(CNCc2ccc(C(C)C)cc2)c1 ZINC000700010064 1121058911 /nfs/dbraw/zinc/05/89/11/1121058911.db2.gz ABYVHISLCPQVND-UHFFFAOYSA-N 0 1 270.376 3.503 20 0 CHADMN Cc1cccnc1[C@H](NCc1cncc(Cl)c1)C(C)C ZINC000621266969 1121063976 /nfs/dbraw/zinc/06/39/76/1121063976.db2.gz HSGCAHUKHMMLIR-OAHLLOKOSA-N 0 1 289.810 3.925 20 0 CHADMN COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2cccc(C)n2)c1 ZINC000344063074 1121070100 /nfs/dbraw/zinc/07/01/00/1121070100.db2.gz NWSXBERBNCUXFO-IFXJQAMLSA-N 0 1 296.414 3.982 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(N(C)C)cc1 ZINC001174878481 1121078523 /nfs/dbraw/zinc/07/85/23/1121078523.db2.gz KWMLMPGAYUUFQK-UHFFFAOYSA-N 0 1 284.338 3.591 20 0 CHADMN CC[C@@H]1CN(Cc2cnc(C(C)(C)C)s2)CCS1 ZINC000093502315 1128960926 /nfs/dbraw/zinc/96/09/26/1128960926.db2.gz DNFAMUZDDKQYSW-LLVKDONJSA-N 0 1 284.494 3.768 20 0 CHADMN FC(F)C1(NC[C@@H]2C[C@@H]2c2ccccc2)CCCC1 ZINC000674143903 1121092163 /nfs/dbraw/zinc/09/21/63/1121092163.db2.gz COLWYGNRIHDRGI-UONOGXRCSA-N 0 1 265.347 3.958 20 0 CHADMN FC(F)C1(NC[C@H]2C[C@H]2c2ccccc2)CCCC1 ZINC000674143901 1121092261 /nfs/dbraw/zinc/09/22/61/1121092261.db2.gz COLWYGNRIHDRGI-KGLIPLIRSA-N 0 1 265.347 3.958 20 0 CHADMN COc1ccc(C2(NCc3ccsc3)CC2)cc1 ZINC000344146038 1121102486 /nfs/dbraw/zinc/10/24/86/1121102486.db2.gz ATDOGPSNMLRADX-UHFFFAOYSA-N 0 1 259.374 3.536 20 0 CHADMN CN(CCC(C)(C)O)Cc1ccc(Cl)cc1Cl ZINC000674230434 1121102587 /nfs/dbraw/zinc/10/25/87/1121102587.db2.gz WVLBPVYONBIDKI-UHFFFAOYSA-N 0 1 276.207 3.586 20 0 CHADMN CCC(CC)CCC[N@H+](C)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC001174957141 1121110550 /nfs/dbraw/zinc/11/05/50/1121110550.db2.gz RSUFAMJQZOBFAG-ZDUSSCGKSA-N 0 1 279.428 3.700 20 0 CHADMN CCC(CC)CCC[N@@H+](C)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC001174957141 1121110554 /nfs/dbraw/zinc/11/05/54/1121110554.db2.gz RSUFAMJQZOBFAG-ZDUSSCGKSA-N 0 1 279.428 3.700 20 0 CHADMN CCC(CC)CCC[N@H+](C)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC001174957138 1121110661 /nfs/dbraw/zinc/11/06/61/1121110661.db2.gz RSUFAMJQZOBFAG-CYBMUJFWSA-N 0 1 279.428 3.700 20 0 CHADMN CCC(CC)CCC[N@@H+](C)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC001174957138 1121110667 /nfs/dbraw/zinc/11/06/67/1121110667.db2.gz RSUFAMJQZOBFAG-CYBMUJFWSA-N 0 1 279.428 3.700 20 0 CHADMN Cc1cccn2cc(CNCc3ccccc3C3CC3)nc12 ZINC000674334312 1121118528 /nfs/dbraw/zinc/11/85/28/1121118528.db2.gz AOQVYMUBPBKKLF-UHFFFAOYSA-N 0 1 291.398 3.810 20 0 CHADMN Fc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1F ZINC000661880376 1121118878 /nfs/dbraw/zinc/11/88/78/1121118878.db2.gz INAYEGLEIZPWBP-CZUORRHYSA-N 0 1 295.373 3.746 20 0 CHADMN Fc1cccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c1F ZINC000661880376 1121118883 /nfs/dbraw/zinc/11/88/83/1121118883.db2.gz INAYEGLEIZPWBP-CZUORRHYSA-N 0 1 295.373 3.746 20 0 CHADMN CC(C)CCN(C)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000674325256 1121119069 /nfs/dbraw/zinc/11/90/69/1121119069.db2.gz YEEDQMDFPGTJQL-UHFFFAOYSA-N 0 1 290.190 3.817 20 0 CHADMN Oc1ccc2c(c1)CN(CCCCOc1ccccc1)C2 ZINC000625727418 1121121077 /nfs/dbraw/zinc/12/10/77/1121121077.db2.gz WYUVCJATGWGGMS-UHFFFAOYSA-N 0 1 283.371 3.567 20 0 CHADMN Cc1ccc([C@@H](C)NCc2nc3ccccc3n2C)s1 ZINC000066989308 1121125130 /nfs/dbraw/zinc/12/51/30/1121125130.db2.gz KFLUOLFJXFZOGW-GFCCVEGCSA-N 0 1 285.416 3.794 20 0 CHADMN CCOc1ccc(CN(C)[C@@H](C)c2ccc(C)cc2)nc1 ZINC000674388053 1121127691 /nfs/dbraw/zinc/12/76/91/1121127691.db2.gz FEYNDQIQVJXOIC-HNNXBMFYSA-N 0 1 284.403 3.982 20 0 CHADMN Cc1nc([C@H](C)NCCCOc2ccccc2)c(C)s1 ZINC000052092030 1121136748 /nfs/dbraw/zinc/13/67/48/1121136748.db2.gz LDYHUCSFQHZHEH-LBPRGKRZSA-N 0 1 290.432 3.880 20 0 CHADMN Cc1[nH+]c2c(Nc3cc(C(=O)[O-])ccc3C)cccn2c1C ZINC001174982583 1121141468 /nfs/dbraw/zinc/14/14/68/1121141468.db2.gz TUYVUAVNUMTNDB-UHFFFAOYSA-N 0 1 295.342 3.701 20 0 CHADMN Cc1ccc(CCCN2Cc3ccc(O)cc3C2)cc1 ZINC000625727716 1121144731 /nfs/dbraw/zinc/14/47/31/1121144731.db2.gz IXBUOTPPRFMRHN-UHFFFAOYSA-N 0 1 267.372 3.649 20 0 CHADMN Cc1ncn(C)c1Nc1cc(F)cc(OCC(C)C)c1 ZINC001175059647 1121145078 /nfs/dbraw/zinc/14/50/78/1121145078.db2.gz OJRWHLRNPALUGO-UHFFFAOYSA-N 0 1 277.343 3.646 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1ccc2ncccc2c1 ZINC000172356718 1121147618 /nfs/dbraw/zinc/14/76/18/1121147618.db2.gz NAFQYCQOORKLBF-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN Oc1ccc2c(c1)C[N@H+](CC1CCC(F)(F)CC1)C2 ZINC000625728259 1121148952 /nfs/dbraw/zinc/14/89/52/1121148952.db2.gz DHCCTDGDSLIGFR-UHFFFAOYSA-N 0 1 267.319 3.533 20 0 CHADMN COc1cc2ccnc(N3[C@@H](C)CC[C@@H]3C)c2cc1OC ZINC000663711580 1121152744 /nfs/dbraw/zinc/15/27/44/1121152744.db2.gz BYLBJVZTXZJXHC-RYUDHWBXSA-N 0 1 286.375 3.629 20 0 CHADMN CC[C@H](C)N(C)Cc1cscc1Br ZINC000336643156 1121154310 /nfs/dbraw/zinc/15/43/10/1121154310.db2.gz BCNKCXNLPMIZEM-QMMMGPOBSA-N 0 1 262.216 3.741 20 0 CHADMN Cc1ncc(CN(C)Cc2c(C)cccc2C)s1 ZINC000172527761 1121154450 /nfs/dbraw/zinc/15/44/50/1121154450.db2.gz ZVGYGKUUYCLJFW-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN Cc1ccc(CN[C@H](c2cnn(C)c2)C(C)C)c(Cl)c1 ZINC000922893069 1121157743 /nfs/dbraw/zinc/15/77/43/1121157743.db2.gz HWSUXZWEDKORCY-INIZCTEOSA-N 0 1 291.826 3.869 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(F)cc1C(F)(F)F ZINC001175101051 1121166616 /nfs/dbraw/zinc/16/66/16/1121166616.db2.gz NZBRKNKMJFGQML-UHFFFAOYSA-N 0 1 273.233 3.630 20 0 CHADMN Cc1nc([C@@H](C)NCCc2cc(F)cc(F)c2)cs1 ZINC000060717892 1121173505 /nfs/dbraw/zinc/17/35/05/1121173505.db2.gz PYRFMSCIDZKAAI-SECBINFHSA-N 0 1 282.359 3.623 20 0 CHADMN Fc1ccccc1-c1nc(CN2CC[C@@H]3C[C@@H]3C2)cs1 ZINC000661971081 1121179483 /nfs/dbraw/zinc/17/94/83/1121179483.db2.gz HIKHRMIQZHTXMO-VXGBXAGGSA-N 0 1 288.391 3.791 20 0 CHADMN C[C@H](NCc1cc(F)c(F)c(F)c1)c1cccc(O)c1 ZINC000062707647 1121189810 /nfs/dbraw/zinc/18/98/10/1121189810.db2.gz OAWSSNLUAZIXLN-VIFPVBQESA-N 0 1 281.277 3.660 20 0 CHADMN C[C@H]1CCCCCN1Cc1nc(-c2ccccc2)no1 ZINC000512201265 1121194876 /nfs/dbraw/zinc/19/48/76/1121194876.db2.gz XKMYGXYGPVJWTK-ZDUSSCGKSA-N 0 1 271.364 3.501 20 0 CHADMN Fc1c(Nc2nonc2C2CC2)cccc1C(F)(F)F ZINC001175134681 1121197012 /nfs/dbraw/zinc/19/70/12/1121197012.db2.gz YHFGGEPIFDKLQR-UHFFFAOYSA-N 0 1 287.216 3.849 20 0 CHADMN CC(C)(C)OCCCN1CC[C@@H]1c1cccc(F)c1 ZINC000674909821 1121197060 /nfs/dbraw/zinc/19/70/60/1121197060.db2.gz ULHUAEUXODHYCN-OAHLLOKOSA-N 0 1 265.372 3.778 20 0 CHADMN Cc1cccc([C@H]2CCCCN2Cc2cc[nH]n2)c1C ZINC000093684333 1128969341 /nfs/dbraw/zinc/96/93/41/1128969341.db2.gz MVXZYRPJXUDNFQ-QGZVFWFLSA-N 0 1 269.392 3.754 20 0 CHADMN Cc1cc(C)cc(CN[C@@H](C)c2cn3ccccc3n2)c1 ZINC000658177238 1121205861 /nfs/dbraw/zinc/20/58/61/1121205861.db2.gz RIBFHFLABMEEEO-HNNXBMFYSA-N 0 1 279.387 3.802 20 0 CHADMN Fc1ccccc1CNCc1ccc2cnccc2c1 ZINC000236159182 1121206606 /nfs/dbraw/zinc/20/66/06/1121206606.db2.gz JTJOQBPFUMWWOX-UHFFFAOYSA-N 0 1 266.319 3.664 20 0 CHADMN CN(CCC(C)(C)C)CC(=O)Nc1ccc(Cl)cc1 ZINC000675039776 1121210832 /nfs/dbraw/zinc/21/08/32/1121210832.db2.gz OHOPZIDFEQNEBU-UHFFFAOYSA-N 0 1 282.815 3.647 20 0 CHADMN Cc1ncccc1CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000675103937 1121216599 /nfs/dbraw/zinc/21/65/99/1121216599.db2.gz IZVGURCQIAALKQ-QGZVFWFLSA-N 0 1 294.398 3.926 20 0 CHADMN CC(C)C1CCC(N(C)C(=O)c2cccc3[nH]cnc32)CC1 ZINC000432571449 1121217641 /nfs/dbraw/zinc/21/76/41/1121217641.db2.gz ZVWAMIVIEAFNAE-UHFFFAOYSA-N 0 1 299.418 3.850 20 0 CHADMN CCCCCn1cc(CN[C@H](C)c2cccnc2)c(C)n1 ZINC000348950692 1121220383 /nfs/dbraw/zinc/22/03/83/1121220383.db2.gz SHWOVSMMNINMGF-CQSZACIVSA-N 0 1 286.423 3.628 20 0 CHADMN Cc1cc(CN2CCC[C@@H](Cc3ccc(C)cc3)C2)no1 ZINC000051064037 1121222044 /nfs/dbraw/zinc/22/20/44/1121222044.db2.gz UXGRAAIQAJUOPV-KRWDZBQOSA-N 0 1 284.403 3.746 20 0 CHADMN CCC(C)(C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000512262326 1121233771 /nfs/dbraw/zinc/23/37/71/1121233771.db2.gz QVNNJSBATKHINK-UHFFFAOYSA-N 0 1 282.815 3.707 20 0 CHADMN CCC(CC)CC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000675226752 1121237008 /nfs/dbraw/zinc/23/70/08/1121237008.db2.gz YETGBEMLJTWYCM-UHFFFAOYSA-N 0 1 293.798 3.659 20 0 CHADMN C1CS[C@H](c2noc([C@@H]3CC[C@H]4CCCC[C@@H]4N3)n2)C1 ZINC000250863053 1121237922 /nfs/dbraw/zinc/23/79/22/1121237922.db2.gz QSDIASFHKBHXJM-VOAKCMCISA-N 0 1 293.436 3.621 20 0 CHADMN CC(C)(C)CCC[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000261559065 1121238182 /nfs/dbraw/zinc/23/81/82/1121238182.db2.gz KLJIKHXDIXDIAR-IHRRRGAJSA-N 0 1 267.413 3.530 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)N(C)Cc1cnn(C)c1 ZINC000079387403 1121239976 /nfs/dbraw/zinc/23/99/76/1121239976.db2.gz SKFMUZAZVLJTJM-AWEZNQCLSA-N 0 1 279.387 3.766 20 0 CHADMN C[C@H]1CC[C@H]2C(=O)N(Cc3cc(Cl)ccc3Cl)N=C21 ZINC000634626753 1128972899 /nfs/dbraw/zinc/97/28/99/1128972899.db2.gz LKOIWRBUUUSDNA-GZMMTYOYSA-N 0 1 297.185 3.738 20 0 CHADMN C[C@H]1CCc2c(=O)n(Cc3cc(Cl)ccc3Cl)[nH]c21 ZINC000634626753 1128972902 /nfs/dbraw/zinc/97/29/02/1128972902.db2.gz LKOIWRBUUUSDNA-GZMMTYOYSA-N 0 1 297.185 3.738 20 0 CHADMN C[C@@H]1[C@H](C)SCCN1Cc1ccccc1Cl ZINC000112643950 1121258029 /nfs/dbraw/zinc/25/80/29/1121258029.db2.gz WRCPFMHSNUKWEP-MNOVXSKESA-N 0 1 255.814 3.666 20 0 CHADMN CC(C)(Nc1ccc(C2C=NC(=S)N2)cc1)C1CC1 ZINC001162518068 1121268237 /nfs/dbraw/zinc/26/82/37/1121268237.db2.gz MESUJNCLPHKBAR-UHFFFAOYSA-N 0 1 273.405 3.966 20 0 CHADMN CC(C)(Nc1cnc2cc(Br)ccn12)C1CC1 ZINC001162522561 1121269282 /nfs/dbraw/zinc/26/92/82/1121269282.db2.gz ZRAKEHKPDUVOPF-UHFFFAOYSA-N 0 1 294.196 3.697 20 0 CHADMN CC(C)SCCN(C)Cc1ccc(F)cc1F ZINC000338251118 1121276317 /nfs/dbraw/zinc/27/63/17/1121276317.db2.gz CRKCOERFNYDOMA-UHFFFAOYSA-N 0 1 259.365 3.538 20 0 CHADMN CCS[C@@H]1CC[C@H](N(C)Cc2noc3c2CCCC3)C1 ZINC000174353194 1121281618 /nfs/dbraw/zinc/28/16/18/1121281618.db2.gz IWZQMZRNRODIKC-QWHCGFSZSA-N 0 1 294.464 3.659 20 0 CHADMN Cc1cc(C)cc(N(C)C(=O)c2[nH]cnc2C(C)(C)C)c1 ZINC000630788298 1128969874 /nfs/dbraw/zinc/96/98/74/1128969874.db2.gz IZAZBUPLTNPDFH-UHFFFAOYSA-N 0 1 285.391 3.601 20 0 CHADMN CS[C@@H](CNCc1c(F)ccc(O)c1F)C(C)(C)C ZINC000512384170 1121298398 /nfs/dbraw/zinc/29/83/98/1121298398.db2.gz LINYASPAQPCUIR-LBPRGKRZSA-N 0 1 289.391 3.538 20 0 CHADMN CN(Cc1csc(Cl)c1Cl)C[C@@H]1CCCOC1 ZINC000432742146 1121306442 /nfs/dbraw/zinc/30/64/42/1121306442.db2.gz QNHNOZMKHAFXCR-VIFPVBQESA-N 0 1 294.247 3.913 20 0 CHADMN CCn1ccnc1NCc1ccc(CC(F)(F)F)cc1 ZINC000630955157 1128976629 /nfs/dbraw/zinc/97/66/29/1128976629.db2.gz UQJGVCUADJUTPW-UHFFFAOYSA-N 0 1 283.297 3.620 20 0 CHADMN CCn1ccnc1NCc1ccccc1CC(F)(F)F ZINC000630954965 1128976683 /nfs/dbraw/zinc/97/66/83/1128976683.db2.gz UBOQCTKORXXXTB-UHFFFAOYSA-N 0 1 283.297 3.620 20 0 CHADMN CCCOc1ccc([C@@H](C)NCc2ccco2)cc1 ZINC000021967748 1121306487 /nfs/dbraw/zinc/30/64/87/1121306487.db2.gz SILIOPHQFNLFRV-CYBMUJFWSA-N 0 1 259.349 3.919 20 0 CHADMN CCn1ccnc1NCc1ccsc1C(F)(F)F ZINC000630954262 1128976748 /nfs/dbraw/zinc/97/67/48/1128976748.db2.gz HEMWMMFEWXXYNT-UHFFFAOYSA-N 0 1 275.299 3.595 20 0 CHADMN COc1cncc(CN[C@H](C)c2cc3ccccc3o2)c1C ZINC000631035075 1128980288 /nfs/dbraw/zinc/98/02/88/1128980288.db2.gz JROKFYAZTSVJQN-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN C[C@H]1CN(Cc2cc(C(C)(C)C)c[nH]2)CCC1(F)F ZINC001249476599 1121310357 /nfs/dbraw/zinc/31/03/57/1121310357.db2.gz YTMGSOXOEJGQRN-NSHDSACASA-N 0 1 270.367 3.789 20 0 CHADMN Cc1cc(Nc2cnn(C(C)(C)C)c2)c2ccccc2n1 ZINC001212566606 1121317805 /nfs/dbraw/zinc/31/78/05/1121317805.db2.gz DQKPLUBDQPCPSE-UHFFFAOYSA-N 0 1 280.375 3.660 20 0 CHADMN C[C@]1(F)CCCCN(Cc2cc(F)c(O)c(Cl)c2)C1 ZINC001237985446 1129235298 /nfs/dbraw/zinc/23/52/98/1129235298.db2.gz YDYHLCHKHNRJSX-AWEZNQCLSA-N 0 1 289.753 3.899 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(F)cn2)cc1Cl ZINC000675627911 1121329444 /nfs/dbraw/zinc/32/94/44/1121329444.db2.gz SVYZWOBNLODVJE-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN CCCCC[C@H]1CCCCN1Cc1nc(CC)no1 ZINC000662157196 1121329828 /nfs/dbraw/zinc/32/98/28/1121329828.db2.gz UMYQNITUOYNJGC-ZDUSSCGKSA-N 0 1 265.401 3.567 20 0 CHADMN CC(C)(C)c1ccc(CNCc2ccc(F)cn2)cc1 ZINC000675645783 1121333871 /nfs/dbraw/zinc/33/38/71/1121333871.db2.gz SPBVRQVRHOCFFB-UHFFFAOYSA-N 0 1 272.367 3.808 20 0 CHADMN Cc1ccc(-c2cc(Nc3cncs3)on2)cc1 ZINC001175495369 1121342926 /nfs/dbraw/zinc/34/29/26/1121342926.db2.gz OXZSXTCAFGEXSL-UHFFFAOYSA-N 0 1 257.318 3.850 20 0 CHADMN CCC[C@@H](NCc1n[nH]c(C(C)(C)C)n1)c1ccccc1 ZINC000432779652 1121345412 /nfs/dbraw/zinc/34/54/12/1121345412.db2.gz IEBAIOHAXDYKJU-CQSZACIVSA-N 0 1 286.423 3.733 20 0 CHADMN COCc1cccc(CNCc2cc(Cl)ccc2F)c1 ZINC000125206414 1121345763 /nfs/dbraw/zinc/34/57/63/1121345763.db2.gz VOKWPIIUHAFTSQ-UHFFFAOYSA-N 0 1 293.769 3.915 20 0 CHADMN CCn1nccc1CN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000125205526 1121346113 /nfs/dbraw/zinc/34/61/13/1121346113.db2.gz RIVJCBWMOJPUES-AWEZNQCLSA-N 0 1 287.407 3.541 20 0 CHADMN CCn1nccc1CN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000125208898 1121346577 /nfs/dbraw/zinc/34/65/77/1121346577.db2.gz IPXANLIPDCPPGM-CQSZACIVSA-N 0 1 287.407 3.541 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1nnc(C(C)(C)C)[nH]1 ZINC000432785161 1121347795 /nfs/dbraw/zinc/34/77/95/1121347795.db2.gz RWHIDHMGHZLQBS-QWHCGFSZSA-N 0 1 278.444 3.503 20 0 CHADMN Cc1occc1CN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000675779284 1121355771 /nfs/dbraw/zinc/35/57/71/1121355771.db2.gz JCKXNJWZNGBYPK-NSHDSACASA-N 0 1 298.386 3.669 20 0 CHADMN CSc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)s1 ZINC000356300437 1121357946 /nfs/dbraw/zinc/35/79/46/1121357946.db2.gz KTJQSXSBRZRKJK-CHWSQXEVSA-N 0 1 283.462 3.613 20 0 CHADMN COc1cncc(CN[C@@H](C)c2ccccc2Cl)c1C ZINC000631031852 1128980067 /nfs/dbraw/zinc/98/00/67/1128980067.db2.gz LIHJLHDSSUABJS-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(C(C)C)no1 ZINC001175524408 1121362575 /nfs/dbraw/zinc/36/25/75/1121362575.db2.gz BZSXGTGKJZQBID-UHFFFAOYSA-N 0 1 256.309 3.726 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(-c2ccncc2)no1 ZINC001175524290 1121363311 /nfs/dbraw/zinc/36/33/11/1121363311.db2.gz RBMVFBOMLCEKTD-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cnc2occc2c1 ZINC001175522935 1121363338 /nfs/dbraw/zinc/36/33/38/1121363338.db2.gz BMRUTZBWTOJOFU-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cnc2ccccc2n1 ZINC001175523812 1121363703 /nfs/dbraw/zinc/36/37/03/1121363703.db2.gz NLWUPBXPNDAOJY-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(F)c(O)c(F)c1 ZINC001175525896 1121365412 /nfs/dbraw/zinc/36/54/12/1121365412.db2.gz JPXBVWAQUZOHNY-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1cc(C[N@@H+](C)Cc2ccc3c(c2)CCO3)ccc1F ZINC000432800475 1121366025 /nfs/dbraw/zinc/36/60/25/1121366025.db2.gz NQLOMKQQGBERGP-UHFFFAOYSA-N 0 1 285.362 3.701 20 0 CHADMN Cc1ccc2[nH]ncc2c1N(c1ccc(N)cn1)C1CCC1 ZINC001175524969 1121366460 /nfs/dbraw/zinc/36/64/60/1121366460.db2.gz ZGEYTCZKFUJORS-UHFFFAOYSA-N 0 1 293.374 3.539 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(Cl)nnc1Cl ZINC001175525039 1121366814 /nfs/dbraw/zinc/36/68/14/1121366814.db2.gz HTUXBJHHFRYNBG-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1ccc2[nH]ncc2c1N1c2ccc(N)cc2CC[C@H]1C ZINC001175526676 1121367298 /nfs/dbraw/zinc/36/72/98/1121367298.db2.gz ZCZLQCHUWISLSE-GFCCVEGCSA-N 0 1 292.386 3.926 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(F)c(F)c1 ZINC001175525991 1121367589 /nfs/dbraw/zinc/36/75/89/1121367589.db2.gz LVGVBVORZASDTG-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2nnsc2c1 ZINC001175526996 1121367801 /nfs/dbraw/zinc/36/78/01/1121367801.db2.gz FTGDBKROPLQCNZ-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN COCCOc1ccc(Nc2c3cn[nH]c3ccc2C)cc1 ZINC001175525982 1121368070 /nfs/dbraw/zinc/36/80/70/1121368070.db2.gz LPGZXQJNAQTFDX-UHFFFAOYSA-N 0 1 297.358 3.640 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccccc1P(C)(C)=O ZINC001175526701 1121368250 /nfs/dbraw/zinc/36/82/50/1121368250.db2.gz PIAKJQLPTLTNNW-UHFFFAOYSA-N 0 1 299.314 3.863 20 0 CHADMN COc1cccc([C@H](C)NCc2ccnn2CC2CCC2)c1 ZINC000631045855 1128980934 /nfs/dbraw/zinc/98/09/34/1128980934.db2.gz CHJDEJDLZVPGQF-AWEZNQCLSA-N 0 1 299.418 3.543 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cnc(Cl)c(C)c1 ZINC001175526040 1121368898 /nfs/dbraw/zinc/36/88/98/1121368898.db2.gz RTVCOMIPOIMBQE-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN COCCCCN(C)c1cc(C)nc2ccc(F)cc21 ZINC000419017992 1121370320 /nfs/dbraw/zinc/37/03/20/1121370320.db2.gz RWMFJDDWKRWUMZ-UHFFFAOYSA-N 0 1 276.355 3.545 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2c(c1)[C@@H](O)CCC2 ZINC001175527250 1121371017 /nfs/dbraw/zinc/37/10/17/1121371017.db2.gz JNBRYEDFKIZHEE-KRWDZBQOSA-N 0 1 293.370 3.985 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(CO)c(Cl)c1 ZINC001175527415 1121371092 /nfs/dbraw/zinc/37/10/92/1121371092.db2.gz MHFRGNMMIADDGM-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN COC(=O)c1cccc(Nc2c3cn[nH]c3ccc2C)c1F ZINC001175527831 1121371583 /nfs/dbraw/zinc/37/15/83/1121371583.db2.gz XWAHXPADKYHVPF-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN CN1CCC=C(Nc2cccc(F)c2OCC(C)(C)C)C1 ZINC001175583016 1121373864 /nfs/dbraw/zinc/37/38/64/1121373864.db2.gz WCFGDWHENVLNRO-UHFFFAOYSA-N 0 1 292.398 3.882 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc(Cl)cc(Cl)c2)[nH]n1 ZINC000675893749 1121377088 /nfs/dbraw/zinc/37/70/88/1121377088.db2.gz UHRRUALLDWIHEX-SECBINFHSA-N 0 1 284.190 3.876 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000675893749 1121377096 /nfs/dbraw/zinc/37/70/96/1121377096.db2.gz UHRRUALLDWIHEX-SECBINFHSA-N 0 1 284.190 3.876 20 0 CHADMN COCc1ccc(CN2CC[C@H]2c2ccccc2)s1 ZINC001139828965 1121377286 /nfs/dbraw/zinc/37/72/86/1121377286.db2.gz ZYNDYIQHFQVLLK-INIZCTEOSA-N 0 1 273.401 3.842 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccnn2CC2CCC2)cc1 ZINC000631056463 1128981716 /nfs/dbraw/zinc/98/17/16/1128981716.db2.gz ODCJPSPLKNGGRM-CQSZACIVSA-N 0 1 299.418 3.543 20 0 CHADMN C[C@H](NC[C@](C)(O)C(F)F)c1cc(Cl)ccc1Cl ZINC000704981006 1121387341 /nfs/dbraw/zinc/38/73/41/1121387341.db2.gz UBFUICGENHIBOL-MADCSZMMSA-N 0 1 298.160 3.660 20 0 CHADMN CO[C@@H](C)c1nc(CN[C@@H](C)Cc2cccs2)cs1 ZINC000675930236 1121392169 /nfs/dbraw/zinc/39/21/69/1121392169.db2.gz PQXWANYDMGHMFE-QWRGUYRKSA-N 0 1 296.461 3.633 20 0 CHADMN COc1ccc(-c2ccccc2)cc1NC1=CCCN(C)C1 ZINC001175577470 1121396710 /nfs/dbraw/zinc/39/67/10/1121396710.db2.gz URGWXJHBZLASIF-UHFFFAOYSA-N 0 1 294.398 3.994 20 0 CHADMN CCOc1ccc(-c2cc([C@H](N)C(C)(C)C)on2)cc1 ZINC000705366816 1121402740 /nfs/dbraw/zinc/40/27/40/1121402740.db2.gz ZJNCLPPFCSGSOY-HNNXBMFYSA-N 0 1 274.364 3.786 20 0 CHADMN Cc1cc(Nc2cccc3c[nH]nc32)c2ccccc2n1 ZINC001175636225 1121402860 /nfs/dbraw/zinc/40/28/60/1121402860.db2.gz TUQZUXJVMXVCFA-UHFFFAOYSA-N 0 1 274.327 3.585 20 0 CHADMN Fc1cccc(C2(NCc3ccc(C(F)F)nc3)CC2)c1 ZINC000631075110 1128983230 /nfs/dbraw/zinc/98/32/30/1128983230.db2.gz AXTFILAOKIFCKD-UHFFFAOYSA-N 0 1 292.304 3.937 20 0 CHADMN C[C@@]1(C2CCCCC2)CCN1Cc1nc(C2CCC2)no1 ZINC001175643320 1121406417 /nfs/dbraw/zinc/40/64/17/1121406417.db2.gz RYLDVCWMVSPOSD-KRWDZBQOSA-N 0 1 289.423 3.882 20 0 CHADMN CSC[C@@H](C)N[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000345051859 1121411314 /nfs/dbraw/zinc/41/13/14/1121411314.db2.gz AIWMGYCMILSGBW-WBMJQRKESA-N 0 1 290.407 3.651 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(-c4ccco4)no3)cc12 ZINC001175694132 1121414509 /nfs/dbraw/zinc/41/45/09/1121414509.db2.gz OGTZPFVDCGQGSP-UHFFFAOYSA-N 0 1 280.287 3.863 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(C)nc3Cl)cc12 ZINC001175694477 1121414560 /nfs/dbraw/zinc/41/45/60/1121414560.db2.gz QCUZIAWRPFDILX-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN COc1cc(Cl)cnc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175693502 1121414920 /nfs/dbraw/zinc/41/49/20/1121414920.db2.gz BBIPEMLODUEQQG-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ncc(C)cc3Cl)cc12 ZINC001175694122 1121415124 /nfs/dbraw/zinc/41/51/24/1121415124.db2.gz NUCJLWLJHZERQE-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN COc1cccc(OC)c1Nc1ccc2n[nH]c(C)c2c1 ZINC001175699356 1121415993 /nfs/dbraw/zinc/41/59/93/1121415993.db2.gz NZUKZASBZHKXCW-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN COc1cccc(C)c1Nc1ccc2n[nH]c(C)c2c1 ZINC001175699131 1121416080 /nfs/dbraw/zinc/41/60/80/1121416080.db2.gz IREASGXWGULLTK-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccnc(OC(F)F)c3)cc12 ZINC001175698873 1121416556 /nfs/dbraw/zinc/41/65/56/1121416556.db2.gz IRTIINWIUBGGPK-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4c(cnn4C)c3)cc12 ZINC001175699318 1121416563 /nfs/dbraw/zinc/41/65/63/1121416563.db2.gz MVWBTMNMRFMBPH-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ncc(Cl)cc3F)cc12 ZINC001175696154 1121416569 /nfs/dbraw/zinc/41/65/69/1121416569.db2.gz VIXMJDRPNIGZJY-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc(F)c3F)cc12 ZINC001175699168 1121416893 /nfs/dbraw/zinc/41/68/93/1121416893.db2.gz KFWLRLGSVLHUOZ-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cncc(C4CC4)c3)cc21 ZINC001175699543 1121417542 /nfs/dbraw/zinc/41/75/42/1121417542.db2.gz RWGFAUSNIZKXSW-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN COc1c(F)cc(Nc2ccc3n[nH]c(C)c3c2)cc1F ZINC001175700632 1121417639 /nfs/dbraw/zinc/41/76/39/1121417639.db2.gz PRQLJXCQADUYBY-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN COc1cc(F)cc(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175702132 1121420753 /nfs/dbraw/zinc/42/07/53/1121420753.db2.gz LPFLGPJWCYFODO-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1nc2ccc(NCc3ccc4nc[nH]c4c3)cc2o1 ZINC000676318049 1121423335 /nfs/dbraw/zinc/42/33/35/1121423335.db2.gz OPQXHOCARWFNKG-UHFFFAOYSA-N 0 1 278.315 3.625 20 0 CHADMN COc1ccc(Cl)cc1NCc1[nH]nc2ccccc21 ZINC000676316446 1121423421 /nfs/dbraw/zinc/42/34/21/1121423421.db2.gz KQGLXIOBTJBUQY-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN COc1ccc(Nc2ccc3c(c2)n[nH]c3C)c(C)c1 ZINC001175661355 1121424102 /nfs/dbraw/zinc/42/41/02/1121424102.db2.gz HNEPMFCAQOUBOY-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccnc(OC(F)F)c3)ccc12 ZINC001175660653 1121424568 /nfs/dbraw/zinc/42/45/68/1121424568.db2.gz UJWDCVWUWJUGFD-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(-c4ccco4)no3)ccc12 ZINC001175660810 1121424636 /nfs/dbraw/zinc/42/46/36/1121424636.db2.gz VMCNSCYXVALHOM-UHFFFAOYSA-N 0 1 280.287 3.863 20 0 CHADMN Cc1ccc(CN(Cc2cnc(C)nc2)C(C)C)s1 ZINC000351845751 1121424943 /nfs/dbraw/zinc/42/49/43/1121424943.db2.gz VPDWEIQXCLARIJ-UHFFFAOYSA-N 0 1 275.421 3.566 20 0 CHADMN Cc1[nH]nc2cc(Nc3nc4ccccc4n3C)ccc21 ZINC001175659951 1121424953 /nfs/dbraw/zinc/42/49/53/1121424953.db2.gz RMIMYVGFRVQMEL-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1[nH]nc2cc(Nc3cncc(C4CC4)c3)ccc21 ZINC001175660198 1121425112 /nfs/dbraw/zinc/42/51/12/1121425112.db2.gz MMMTXGAYFXPTSK-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccnn3C3CCC3)ccc12 ZINC001175660775 1121425126 /nfs/dbraw/zinc/42/51/26/1121425126.db2.gz VDLWNNJVCCUGPH-UHFFFAOYSA-N 0 1 267.336 3.536 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(C)ccc3O)ccc12 ZINC001175662264 1121425697 /nfs/dbraw/zinc/42/56/97/1121425697.db2.gz BZYBERGPRXOBGG-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COc1c(F)cccc1Nc1ccc2c(C)[nH]nc2c1 ZINC001175661815 1121426514 /nfs/dbraw/zinc/42/65/14/1121426514.db2.gz TYDSGQILTPPTIY-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(F)c(O)cc3F)ccc12 ZINC001175662690 1121426552 /nfs/dbraw/zinc/42/65/52/1121426552.db2.gz AWOBIQCYHZOHQJ-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN COc1cccc(Nc2ccc3c(C)[nH]nc3c2)c1F ZINC001175662684 1121426567 /nfs/dbraw/zinc/42/65/67/1121426567.db2.gz XEPGCUXMKMOWEL-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1[nH]nc2cc(Nc3c(O)cccc3Cl)ccc12 ZINC001175662342 1121426572 /nfs/dbraw/zinc/42/65/72/1121426572.db2.gz HRTHWHGNKICRFN-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1[nH]nc2cc(N3CCCc4ccc(N)cc43)ccc12 ZINC001175663208 1121427378 /nfs/dbraw/zinc/42/73/78/1121427378.db2.gz VCKROXUNIGKKHE-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN CC(=O)Oc1ccc(F)c(Nc2ccc3c(C)[nH]nc3c2)c1 ZINC001175664956 1121427480 /nfs/dbraw/zinc/42/74/80/1121427480.db2.gz JKODIZVNXOUBJR-UHFFFAOYSA-N 0 1 299.305 3.679 20 0 CHADMN Cc1[nH]nc2cc(Nc3c(C)cc(O)cc3C)ccc12 ZINC001175663360 1121427490 /nfs/dbraw/zinc/42/74/90/1121427490.db2.gz YFBQSNLKNAKYOX-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(F)cc(F)c3O)ccc12 ZINC001175664515 1121427510 /nfs/dbraw/zinc/42/75/10/1121427510.db2.gz DPWFSJWCFFJKAX-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN COc1c(Nc2ccc3c(C)[nH]nc3c2)ccc(F)c1F ZINC001175665352 1121427793 /nfs/dbraw/zinc/42/77/93/1121427793.db2.gz KRIOQROESPOQNF-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN CC1CC([N@@H+](C)Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143537895 1121427983 /nfs/dbraw/zinc/42/79/83/1121427983.db2.gz FEQDOKYWEVTGOJ-UHFFFAOYSA-N 0 1 291.288 3.955 20 0 CHADMN CC1CC(N(C)Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143537895 1121427987 /nfs/dbraw/zinc/42/79/87/1121427987.db2.gz FEQDOKYWEVTGOJ-UHFFFAOYSA-N 0 1 291.288 3.955 20 0 CHADMN CCC[N@@H+](C)Cc1cc(OC(F)(F)F)ccc1F ZINC001143538448 1121428017 /nfs/dbraw/zinc/42/80/17/1121428017.db2.gz LNENIANSYZTYAA-UHFFFAOYSA-N 0 1 265.250 3.566 20 0 CHADMN CCCN(C)Cc1cc(OC(F)(F)F)ccc1F ZINC001143538448 1121428021 /nfs/dbraw/zinc/42/80/21/1121428021.db2.gz LNENIANSYZTYAA-UHFFFAOYSA-N 0 1 265.250 3.566 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc(N(C)C)c3)ccc21 ZINC001175662845 1121427914 /nfs/dbraw/zinc/42/79/14/1121427914.db2.gz GKQZDBSJRLFTRJ-UHFFFAOYSA-N 0 1 266.348 3.681 20 0 CHADMN CCCN(CC(=O)Nc1ccc(C(C)C)cc1)C1CC1 ZINC000728931035 1121433020 /nfs/dbraw/zinc/43/30/20/1121433020.db2.gz KXBJEMXYJIWTMO-UHFFFAOYSA-N 0 1 274.408 3.623 20 0 CHADMN Cc1n[nH]c(CN2CCCCC[C@@H]2c2ccncc2)c1C ZINC000893870907 1121434244 /nfs/dbraw/zinc/43/42/44/1121434244.db2.gz FGABKZYJVGCDCV-QGZVFWFLSA-N 0 1 284.407 3.539 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccnc3Cl)cc12 ZINC001175692821 1121434937 /nfs/dbraw/zinc/43/49/37/1121434937.db2.gz LEUQZRULHVRLJE-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)Cc2c(C)noc2C)c(C)s1 ZINC000676491738 1121436306 /nfs/dbraw/zinc/43/63/06/1121436306.db2.gz KHJHOKKAUYDASC-SCZZXKLOSA-N 0 1 293.436 3.647 20 0 CHADMN CO[C@]1(C)C[C@H](N[C@H](C)c2nc(C)sc2C)C1(C)C ZINC000676493396 1121436515 /nfs/dbraw/zinc/43/65/15/1121436515.db2.gz XONYKLOVLMFJGS-MURWCNHISA-N 0 1 282.453 3.614 20 0 CHADMN Cc1[nH]nc(CN(C)[C@@H](C)c2cc3ccccc3o2)c1C ZINC000893919212 1121439490 /nfs/dbraw/zinc/43/94/90/1121439490.db2.gz IZLZRLZQOSHMDD-ZDUSSCGKSA-N 0 1 283.375 3.966 20 0 CHADMN Cn1cc([C@H](NCC2=CCCCC2)c2ccccc2)cn1 ZINC000294942688 1121441530 /nfs/dbraw/zinc/44/15/30/1121441530.db2.gz IJGUYFSUPDXLQO-GOSISDBHSA-N 0 1 281.403 3.600 20 0 CHADMN C[C@H](NCc1cnc(C(C)(C)C)nc1)c1ccsc1 ZINC000311455248 1121442070 /nfs/dbraw/zinc/44/20/70/1121442070.db2.gz MRQUVSPQRBGQAI-NSHDSACASA-N 0 1 275.421 3.686 20 0 CHADMN Cc1ccnc(N)c1CN(Cc1ccc(F)cc1)C(C)C ZINC000893944038 1121444382 /nfs/dbraw/zinc/44/43/82/1121444382.db2.gz NOAZBDDZBBQJMK-UHFFFAOYSA-N 0 1 287.382 3.522 20 0 CHADMN Cc1[nH]nc(CN2CCC[C@H]2c2cccc(F)c2)c1C ZINC000893944112 1121444886 /nfs/dbraw/zinc/44/48/86/1121444886.db2.gz QWVAJMHISSTEIP-INIZCTEOSA-N 0 1 273.355 3.503 20 0 CHADMN CC[C@@H]1c2ccsc2CCN1Cc1ocnc1C ZINC000893961531 1121444898 /nfs/dbraw/zinc/44/48/98/1121444898.db2.gz BEKQNTLVEJJIRE-GFCCVEGCSA-N 0 1 262.378 3.554 20 0 CHADMN Cc1cccc2ncc(Nc3ccc4ccncc4c3)n21 ZINC001175704746 1121447619 /nfs/dbraw/zinc/44/76/19/1121447619.db2.gz CUKGSPNDIBQZCR-UHFFFAOYSA-N 0 1 274.327 3.935 20 0 CHADMN CCN(Cc1c(C)ccnc1N)[C@@H](C)c1ccc(F)cc1 ZINC000893965852 1121448117 /nfs/dbraw/zinc/44/81/17/1121448117.db2.gz BKGKPORUVQFHOH-ZDUSSCGKSA-N 0 1 287.382 3.694 20 0 CHADMN Cc1ccc(CN2C[C@@H]3CCCC[C@@]32C)c(Cl)n1 ZINC000707195064 1121451607 /nfs/dbraw/zinc/45/16/07/1121451607.db2.gz RRGGCBQIRSPXJO-ZFWWWQNUSA-N 0 1 264.800 3.808 20 0 CHADMN Cc1ccc(CN2C3CCCC2CCC3)c(Cl)n1 ZINC000707163667 1121451762 /nfs/dbraw/zinc/45/17/62/1121451762.db2.gz SVHACORKGGLQKF-UHFFFAOYSA-N 0 1 264.800 3.950 20 0 CHADMN COC(=O)c1c(F)ccc(N=C2CCCCC2)c1F ZINC001175754440 1121452181 /nfs/dbraw/zinc/45/21/81/1121452181.db2.gz ARQOTMPQTMBBKI-UHFFFAOYSA-N 0 1 267.275 3.621 20 0 CHADMN Cc1cc(Nc2cnn(C3CCC3)c2)c2ccccc2n1 ZINC001175754261 1121452355 /nfs/dbraw/zinc/45/23/55/1121452355.db2.gz COWCJFLSVGTYPL-UHFFFAOYSA-N 0 1 278.359 3.630 20 0 CHADMN CC(C)[C@@H]([NH2+]Cc1cccc([O-])c1Br)C1CC1 ZINC000315083546 1121454560 /nfs/dbraw/zinc/45/45/60/1121454560.db2.gz ZUSQQBVOUSMRRJ-CQSZACIVSA-N 0 1 298.224 3.679 20 0 CHADMN Cc1ccncc1CN1CC(C)(C)[C@H]1c1ccccc1 ZINC000676705587 1121456758 /nfs/dbraw/zinc/45/67/58/1121456758.db2.gz SQBOVDZNVIGIGA-QGZVFWFLSA-N 0 1 266.388 3.973 20 0 CHADMN Cc1ccc(CN2CC(C)(C)[C@H]2c2ccccc2)nc1 ZINC000676705590 1121456912 /nfs/dbraw/zinc/45/69/12/1121456912.db2.gz SRJDNACROSKPGI-QGZVFWFLSA-N 0 1 266.388 3.973 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cnc3cccc(C)n23)c1 ZINC000432888326 1121457719 /nfs/dbraw/zinc/45/77/19/1121457719.db2.gz KCUVTKIGQNYCSH-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN CCCCCN(C)Cc1cc(F)cc(F)c1OC ZINC001143551622 1121465925 /nfs/dbraw/zinc/46/59/25/1121465925.db2.gz FPIQIRCATHOSJL-UHFFFAOYSA-N 0 1 257.324 3.595 20 0 CHADMN CC1(C)C[C@@H](C[NH2+]Cc2cccc([O-])c2Cl)C(C)(C)O1 ZINC000709708009 1121469709 /nfs/dbraw/zinc/46/97/09/1121469709.db2.gz VLXDAGZWCGAOKH-LBPRGKRZSA-N 0 1 297.826 3.729 20 0 CHADMN C[N@@H+](Cc1cccc([O-])c1Cl)C[C@@H]1CC=CCC1 ZINC000512395711 1121469948 /nfs/dbraw/zinc/46/99/48/1121469948.db2.gz ZLNMWKBHVJEBEC-GFCCVEGCSA-N 0 1 265.784 3.834 20 0 CHADMN C[N@H+](Cc1cccc([O-])c1Cl)C[C@@H]1CC=CCC1 ZINC000512395711 1121469950 /nfs/dbraw/zinc/46/99/50/1121469950.db2.gz ZLNMWKBHVJEBEC-GFCCVEGCSA-N 0 1 265.784 3.834 20 0 CHADMN C[N@@H+](Cc1cccc([O-])c1Cl)C[C@H]1CC=CCC1 ZINC000512395712 1121470016 /nfs/dbraw/zinc/47/00/16/1121470016.db2.gz ZLNMWKBHVJEBEC-LBPRGKRZSA-N 0 1 265.784 3.834 20 0 CHADMN C[N@H+](Cc1cccc([O-])c1Cl)C[C@H]1CC=CCC1 ZINC000512395712 1121470018 /nfs/dbraw/zinc/47/00/18/1121470018.db2.gz ZLNMWKBHVJEBEC-LBPRGKRZSA-N 0 1 265.784 3.834 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2csc(C)c2C)n[nH]1 ZINC000631121876 1128986499 /nfs/dbraw/zinc/98/64/99/1128986499.db2.gz UFUKACBJQOZNBL-MWLCHTKSSA-N 0 1 292.452 3.847 20 0 CHADMN Cc1csc([C@@H](C)N[C@H](C)COc2ccccc2)n1 ZINC000710990078 1121476029 /nfs/dbraw/zinc/47/60/29/1121476029.db2.gz QUEJOEBUDDFGKZ-DGCLKSJQSA-N 0 1 276.405 3.570 20 0 CHADMN CCc1nn(C)cc1CN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000245645131 1121478234 /nfs/dbraw/zinc/47/82/34/1121478234.db2.gz FNZFKDAVABVOAR-CJNGLKHVSA-N 0 1 287.407 3.549 20 0 CHADMN COc1cccc(Nc2nnc(C(C)C)o2)c1Cl ZINC001175893706 1121478841 /nfs/dbraw/zinc/47/88/41/1121478841.db2.gz IHDOLUIDUWGSFN-UHFFFAOYSA-N 0 1 267.716 3.599 20 0 CHADMN Cc1ccc(F)c(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000512584448 1121484867 /nfs/dbraw/zinc/48/48/67/1121484867.db2.gz YSXDKBWSHJDBMV-QGZVFWFLSA-N 0 1 284.378 3.821 20 0 CHADMN CCCC(C)(C)CC(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000429267762 1121491484 /nfs/dbraw/zinc/49/14/84/1121491484.db2.gz NOKHESPXEYZUEE-UHFFFAOYSA-N 0 1 290.367 3.528 20 0 CHADMN Cc1ccc2cc(CNCc3cccc4c3OCC4)[nH]c2c1 ZINC000922940404 1121494856 /nfs/dbraw/zinc/49/48/56/1121494856.db2.gz AOEYCOXLFHRASR-UHFFFAOYSA-N 0 1 292.382 3.701 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000625774060 1121494969 /nfs/dbraw/zinc/49/49/69/1121494969.db2.gz AVPTYUBBWPIFAA-UTUOFQBUSA-N 0 1 283.387 3.996 20 0 CHADMN c1ccc2sc(CN3CC[C@H]4CC[C@@H](C3)S4)nc2c1 ZINC000625774127 1121495011 /nfs/dbraw/zinc/49/50/11/1121495011.db2.gz DAHFZPDSZBFODA-NEPJUHHUSA-N 0 1 290.457 3.766 20 0 CHADMN CCCCCc1cc(C(=O)N(C)C2(C)CCCC2)n[nH]1 ZINC000614156301 1121495174 /nfs/dbraw/zinc/49/51/74/1121495174.db2.gz KFFMSYHHIMCKRB-UHFFFAOYSA-N 0 1 277.412 3.547 20 0 CHADMN CSC[C@@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000429272394 1121495765 /nfs/dbraw/zinc/49/57/65/1121495765.db2.gz JNLZKOYXSLOTSO-LLVKDONJSA-N 0 1 271.376 3.540 20 0 CHADMN Cc1ncc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)C2(C)C)[nH]1 ZINC000922962037 1121500856 /nfs/dbraw/zinc/50/08/56/1121500856.db2.gz HMQXRFQGTUOSGS-IUODEOHRSA-N 0 1 297.402 3.515 20 0 CHADMN Cc1scc(CN[C@H](CCO)c2ccccc2F)c1C ZINC000631166076 1128988375 /nfs/dbraw/zinc/98/83/75/1128988375.db2.gz FOPRVYFFXDPGPX-MRXNPFEDSA-N 0 1 293.407 3.717 20 0 CHADMN CC[C@@H](CN1CC[C@@H]1c1ccc(Cl)cc1)OC ZINC000419223234 1121501466 /nfs/dbraw/zinc/50/14/66/1121501466.db2.gz YHRSTMMNBYDDNI-UONOGXRCSA-N 0 1 253.773 3.512 20 0 CHADMN CCCc1ccc(CNCc2c(C)noc2CC)s1 ZINC000922982507 1121502019 /nfs/dbraw/zinc/50/20/19/1121502019.db2.gz QSPZEFXONBYBLQ-UHFFFAOYSA-N 0 1 278.421 3.849 20 0 CHADMN O=c1ccc(CNC2(c3ccccc3Cl)CCC2)c[nH]1 ZINC000631167367 1128988418 /nfs/dbraw/zinc/98/84/18/1128988418.db2.gz WYZMPBROMQPHLE-UHFFFAOYSA-N 0 1 288.778 3.610 20 0 CHADMN CCc1onc(C)c1CNC/C=C\c1ccc(F)c(F)c1 ZINC000922985137 1121503034 /nfs/dbraw/zinc/50/30/34/1121503034.db2.gz VYWSQKLNYDTUGS-PLNGDYQASA-N 0 1 292.329 3.627 20 0 CHADMN Cc1ccc([C@H](NCc2ccccc2CO)C2CCC2)o1 ZINC000543599855 1121506565 /nfs/dbraw/zinc/50/65/65/1121506565.db2.gz IDWGBUWRSYNKHC-GOSISDBHSA-N 0 1 285.387 3.711 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2CC[C@H]1O)c1ccccc1F ZINC000922990543 1121506939 /nfs/dbraw/zinc/50/69/39/1121506939.db2.gz OOPKOKRAMSDBQY-RZAIGCCYSA-N 0 1 285.362 3.525 20 0 CHADMN Cc1cc(CN[C@@]2(C)CCOc3ccccc32)cs1 ZINC000923025412 1121513592 /nfs/dbraw/zinc/51/35/92/1121513592.db2.gz PDMYQENUNQKSKB-INIZCTEOSA-N 0 1 273.401 3.844 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000246896665 1121517674 /nfs/dbraw/zinc/51/76/74/1121517674.db2.gz VASABZMRFSHEOT-IOASZLSFSA-N 0 1 297.402 3.886 20 0 CHADMN CCCc1cc(=O)n(Cc2ccc(C(F)(F)F)cc2)[nH]1 ZINC000614190257 1121518039 /nfs/dbraw/zinc/51/80/39/1121518039.db2.gz VWRDPTAYXYDVNU-UHFFFAOYSA-N 0 1 284.281 3.594 20 0 CHADMN CC[C@H](N[C@H](C)c1cccc(C)c1C)c1ccn(C)n1 ZINC000544568282 1121518590 /nfs/dbraw/zinc/51/85/90/1121518590.db2.gz DSFRZDFBLZDJTR-ZBFHGGJFSA-N 0 1 271.408 3.839 20 0 CHADMN Oc1ccc2cccc(Nc3ccc4nn[nH]c4c3)c2c1 ZINC001176002276 1121519265 /nfs/dbraw/zinc/51/92/65/1121519265.db2.gz JUMRKVPSGCKTBB-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN Oc1ccc2cccc(Nc3ccc4n[nH]nc4c3)c2c1 ZINC001176002276 1121519269 /nfs/dbraw/zinc/51/92/69/1121519269.db2.gz JUMRKVPSGCKTBB-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN Clc1c(Nc2ccc3nn[nH]c3c2)ccc2cnccc21 ZINC001176005463 1121521382 /nfs/dbraw/zinc/52/13/82/1121521382.db2.gz ZLXDZGSCJXQNFU-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1c(Nc2ccc3n[nH]nc3c2)ccc2cnccc21 ZINC001176005463 1121521387 /nfs/dbraw/zinc/52/13/87/1121521387.db2.gz ZLXDZGSCJXQNFU-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN c1ccc2c(c1)cccc2Nc1ccc2nn[nH]c2c1 ZINC001176004555 1121522235 /nfs/dbraw/zinc/52/22/35/1121522235.db2.gz PKSSMDURFKZYLM-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN c1ccc2c(c1)cccc2Nc1ccc2n[nH]nc2c1 ZINC001176004555 1121522240 /nfs/dbraw/zinc/52/22/40/1121522240.db2.gz PKSSMDURFKZYLM-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN FC(F)(F)Oc1ccc(Nc2ccc3nn[nH]c3c2)cc1 ZINC001176005114 1121522507 /nfs/dbraw/zinc/52/25/07/1121522507.db2.gz AWJHNIKIFYJRBW-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN FC(F)(F)Oc1ccc(Nc2ccc3n[nH]nc3c2)cc1 ZINC001176005114 1121522512 /nfs/dbraw/zinc/52/25/12/1121522512.db2.gz AWJHNIKIFYJRBW-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN CCCCc1noc(CN2CCCC[C@@H]2CC(C)C)n1 ZINC000466667411 1121526431 /nfs/dbraw/zinc/52/64/31/1121526431.db2.gz XABJLRSYNKEBRZ-CQSZACIVSA-N 0 1 279.428 3.813 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H]2CCC3(CCC3)O2)c(C)s1 ZINC000711428258 1121530483 /nfs/dbraw/zinc/53/04/83/1121530483.db2.gz VWWXUDPSMBBJTO-MFKMUULPSA-N 0 1 280.437 3.512 20 0 CHADMN CCCN(CCC)[C@H](C)c1noc(-c2ccccc2)n1 ZINC000411169745 1121530896 /nfs/dbraw/zinc/53/08/96/1121530896.db2.gz URSXNXYYLOPEBS-CYBMUJFWSA-N 0 1 273.380 3.920 20 0 CHADMN CCN1CCC[C@@H](Oc2cccc(Cl)c2Cl)C1 ZINC001225207011 1121531579 /nfs/dbraw/zinc/53/15/79/1121531579.db2.gz OCSJJMAZGJXISL-SNVBAGLBSA-N 0 1 274.191 3.857 20 0 CHADMN Cc1nocc1CNCc1ccc(-c2scnc2C)cc1 ZINC000631218965 1128992078 /nfs/dbraw/zinc/99/20/78/1128992078.db2.gz KPEIZXAFZQJCPT-UHFFFAOYSA-N 0 1 299.399 3.705 20 0 CHADMN Cc1cccc2c1CN(Cc1cn(C)nc1C(C)(C)C)CC2 ZINC000433053518 1121539352 /nfs/dbraw/zinc/53/93/52/1121539352.db2.gz POXAPJWWDNYPLW-UHFFFAOYSA-N 0 1 297.446 3.584 20 0 CHADMN CC(C)(C)c1n[nH]cc1CNCc1ccc2cccnc2c1 ZINC000631206274 1128992342 /nfs/dbraw/zinc/99/23/42/1128992342.db2.gz FWLDJCSZHXHIMN-UHFFFAOYSA-N 0 1 294.402 3.545 20 0 CHADMN Cc1nc(C(C)C)ccc1CN1CC(C)(C)OCC1(C)C ZINC000645087627 1121540584 /nfs/dbraw/zinc/54/05/84/1121540584.db2.gz MLKCZMRNIPGWAI-UHFFFAOYSA-N 0 1 290.451 3.903 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H]1CC2CCC1CC2 ZINC000923230448 1121542701 /nfs/dbraw/zinc/54/27/01/1121542701.db2.gz KBFHETQSOCIJAS-MTDPTZSASA-N 0 1 291.435 3.530 20 0 CHADMN c1ncc(CNc2ccc(OC3CCCCC3)cc2)[nH]1 ZINC000894110063 1121546306 /nfs/dbraw/zinc/54/63/06/1121546306.db2.gz KBXOCCLFCFJHEQ-UHFFFAOYSA-N 0 1 271.364 3.733 20 0 CHADMN CCCN(Cc1nc(Br)cs1)[C@@H](C)CC ZINC001137773531 1121550975 /nfs/dbraw/zinc/55/09/75/1121550975.db2.gz BSECUALLQKLKMX-VIFPVBQESA-N 0 1 291.258 3.916 20 0 CHADMN O=C([O-])c1cccc(C[N@@H+](CCc2ccccc2)C2CC2)c1 ZINC000923272877 1121553278 /nfs/dbraw/zinc/55/32/78/1121553278.db2.gz ASNIRCZIOHZIHH-UHFFFAOYSA-N 0 1 295.382 3.592 20 0 CHADMN CCC(CC)CN1CCc2nc[nH]c2C12CCCCC2 ZINC001176112791 1121554823 /nfs/dbraw/zinc/55/48/23/1121554823.db2.gz BMLWTUHOOLEDGQ-UHFFFAOYSA-N 0 1 275.440 3.863 20 0 CHADMN Cc1ncc([C@H](C)NCc2scnc2C2CC2)s1 ZINC000631229191 1128993436 /nfs/dbraw/zinc/99/34/36/1128993436.db2.gz UGALYXOTNJYWMH-QMMMGPOBSA-N 0 1 279.434 3.636 20 0 CHADMN C[C@H]1CC(F)(F)CCN1Cc1ccc(OC(F)F)cc1 ZINC000625979605 1121565576 /nfs/dbraw/zinc/56/55/76/1121565576.db2.gz DPIOKWSGKUBNKC-JTQLQIEISA-N 0 1 291.288 3.908 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNCc2cccc3c2CCOC3)o1 ZINC000631245432 1128994278 /nfs/dbraw/zinc/99/42/78/1128994278.db2.gz OODASULOJBHWDV-FZKQIMNGSA-N 0 1 297.398 3.766 20 0 CHADMN Cc1ccc(CNCc2cc3ccc(C)cc3[nH]2)o1 ZINC000631242154 1128994398 /nfs/dbraw/zinc/99/43/98/1128994398.db2.gz DTBCTKUDEOAPLA-UHFFFAOYSA-N 0 1 254.333 3.668 20 0 CHADMN CCS[C@@H]1CC[C@H](N(C)Cc2ncoc2C(C)C)C1 ZINC000092798412 1121575608 /nfs/dbraw/zinc/57/56/08/1121575608.db2.gz XHLJQUQFMZWVJE-QWHCGFSZSA-N 0 1 282.453 3.904 20 0 CHADMN Clc1ccsc1CNCc1cccc2c1CCOC2 ZINC000631244375 1128994598 /nfs/dbraw/zinc/99/45/98/1128994598.db2.gz RFODTWQWBXANCF-UHFFFAOYSA-N 0 1 293.819 3.764 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626012799 1121576703 /nfs/dbraw/zinc/57/67/03/1121576703.db2.gz HMKIZKZASUFNND-DETPVDSQSA-N 0 1 297.801 3.635 20 0 CHADMN c1n[nH]nc1SCCCc1cccc2ccccc21 ZINC000466729078 1121577411 /nfs/dbraw/zinc/57/74/11/1121577411.db2.gz LNDLYFUPYIGJMT-UHFFFAOYSA-N 0 1 269.373 3.683 20 0 CHADMN COc1cccc2c1CN(CCc1ccc(C)cc1)C2 ZINC000626023077 1121580768 /nfs/dbraw/zinc/58/07/68/1121580768.db2.gz VIJXACBAGKATAJ-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN COc1cccc2c1CN(CCCOCc1ccccc1)C2 ZINC000626022823 1121581926 /nfs/dbraw/zinc/58/19/26/1121581926.db2.gz LMEFCGOMTVSPFQ-UHFFFAOYSA-N 0 1 297.398 3.618 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccc(OC)c(F)c2)nc1 ZINC000411461917 1121587171 /nfs/dbraw/zinc/58/71/71/1121587171.db2.gz QFTPKQCKCUTTCE-GFCCVEGCSA-N 0 1 288.366 3.643 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc3[nH]c(=O)oc3c2)o1 ZINC000671739525 1121590540 /nfs/dbraw/zinc/59/05/40/1121590540.db2.gz UJBYBIFVYHFJAT-QWRGUYRKSA-N 0 1 286.331 3.847 20 0 CHADMN CSc1ccc(CNCc2scnc2C)s1 ZINC000336671709 1121594952 /nfs/dbraw/zinc/59/49/52/1121594952.db2.gz HDGGRDYJIYWCOG-UHFFFAOYSA-N 0 1 270.448 3.525 20 0 CHADMN Cc1cc(CN[C@@H](CCC(C)C)c2ccoc2)n[nH]1 ZINC000671748237 1121598978 /nfs/dbraw/zinc/59/89/78/1121598978.db2.gz QVZFCYXJVUJMGC-HNNXBMFYSA-N 0 1 261.369 3.578 20 0 CHADMN Cc1cc(CN[C@@H](CCC(C)C)c2ccoc2)[nH]n1 ZINC000671748237 1121598983 /nfs/dbraw/zinc/59/89/83/1121598983.db2.gz QVZFCYXJVUJMGC-HNNXBMFYSA-N 0 1 261.369 3.578 20 0 CHADMN Cc1c(Cl)cccc1CN(C)Cc1ccncc1 ZINC000877317765 1121599170 /nfs/dbraw/zinc/59/91/70/1121599170.db2.gz AGBCRTBOEVBVIQ-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN CC1CCC(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)CC1 ZINC000135051741 1121604235 /nfs/dbraw/zinc/60/42/35/1121604235.db2.gz OZCKSBZHRIZZGT-NRXISQOPSA-N 0 1 281.440 3.636 20 0 CHADMN CCCN(Cc1ncc(Br)s1)[C@H](C)CC ZINC001142700136 1121604300 /nfs/dbraw/zinc/60/43/00/1121604300.db2.gz NMJIXLQOQJUFJW-SECBINFHSA-N 0 1 291.258 3.916 20 0 CHADMN c1csc([C@H]2CN([C@H]3CCc4ccccc43)CCO2)c1 ZINC000682068438 1121605355 /nfs/dbraw/zinc/60/53/55/1121605355.db2.gz ABVZLGYUAPTDES-JKSUJKDBSA-N 0 1 285.412 3.809 20 0 CHADMN C[C@@H]1CC[C@@H](N[C@@H](CF)c2ccc(F)cc2)CS1 ZINC000631284533 1128996608 /nfs/dbraw/zinc/99/66/08/1128996608.db2.gz PPYZMGCCYSFZLU-HONMWMINSA-N 0 1 271.376 3.710 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000318984275 1121606389 /nfs/dbraw/zinc/60/63/89/1121606389.db2.gz JHCRTUPKRFNNFO-FMKPAKJESA-N 0 1 297.398 3.943 20 0 CHADMN c1csc([C@H]2CN([C@@H]3CCc4ccccc43)CCO2)c1 ZINC000682068437 1121607918 /nfs/dbraw/zinc/60/79/18/1121607918.db2.gz ABVZLGYUAPTDES-HZPDHXFCSA-N 0 1 285.412 3.809 20 0 CHADMN C[C@@H]1CC[C@@H](N[C@H](CF)c2ccc(F)cc2)CS1 ZINC000631284534 1128996796 /nfs/dbraw/zinc/99/67/96/1128996796.db2.gz PPYZMGCCYSFZLU-LERXQTSPSA-N 0 1 271.376 3.710 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCOc2ccc(C)cc2)on1 ZINC000047273773 1121625906 /nfs/dbraw/zinc/62/59/06/1121625906.db2.gz KHQMEXGHLZUBCI-INIZCTEOSA-N 0 1 286.375 3.507 20 0 CHADMN C(CN1CCOC[C@@H]1CC1CC1)SC1CCCCC1 ZINC001176401708 1121626068 /nfs/dbraw/zinc/62/60/68/1121626068.db2.gz HVVLPLYETBIMBX-HNNXBMFYSA-N 0 1 283.481 3.553 20 0 CHADMN C/C(=C\c1ccccc1)CN[C@H](c1nccn1C)C1CC1 ZINC000512880402 1121630179 /nfs/dbraw/zinc/63/01/79/1121630179.db2.gz UCOBVJVFOGAPIH-VSOYFRJCSA-N 0 1 281.403 3.564 20 0 CHADMN COc1ccc(CN2CCCC[C@H]2c2cc(C)[nH]n2)cc1C ZINC001176484918 1121637328 /nfs/dbraw/zinc/63/73/28/1121637328.db2.gz KHIGHMYYHXDNFU-KRWDZBQOSA-N 0 1 299.418 3.762 20 0 CHADMN COc1ccc(CN2CCCC[C@H]2c2cc(C)n[nH]2)cc1C ZINC001176484918 1121637331 /nfs/dbraw/zinc/63/73/31/1121637331.db2.gz KHIGHMYYHXDNFU-KRWDZBQOSA-N 0 1 299.418 3.762 20 0 CHADMN c1cc(CN(C[C@@H]2CC3(CO2)CCCCC3)C2CC2)co1 ZINC001176505638 1121641764 /nfs/dbraw/zinc/64/17/64/1121641764.db2.gz QQQUJDHGPRGWGJ-KRWDZBQOSA-N 0 1 289.419 3.983 20 0 CHADMN COc1ccc(C)cc1CN1CCC[C@H]1c1cc(C)no1 ZINC000052009804 1121647088 /nfs/dbraw/zinc/64/70/88/1121647088.db2.gz NXLZMHJDHJJSFQ-HNNXBMFYSA-N 0 1 286.375 3.637 20 0 CHADMN CC[C@@H](NCc1nc(Cc2ccccc2)no1)[C@@H]1CC1(C)C ZINC000419321387 1121649579 /nfs/dbraw/zinc/64/95/79/1121649579.db2.gz RAXUTJNYYLYYOZ-LSDHHAIUSA-N 0 1 299.418 3.575 20 0 CHADMN O=C(Cc1ccco1)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000268791042 1121655882 /nfs/dbraw/zinc/65/58/82/1121655882.db2.gz GBCHZXQVLTVGRA-UHFFFAOYSA-N 0 1 295.342 3.605 20 0 CHADMN CCOc1ccc(S[C@H](C)c2n[nH]c(CC)n2)cc1 ZINC001118473126 1121667286 /nfs/dbraw/zinc/66/72/86/1121667286.db2.gz JWJXLCOJQVAZIO-SNVBAGLBSA-N 0 1 277.393 3.619 20 0 CHADMN O=C1CCc2cc(Nc3c(F)cc(F)c(O)c3F)ccc21 ZINC001176672166 1121672681 /nfs/dbraw/zinc/67/26/81/1121672681.db2.gz FWJWQNLQSHRXBX-UHFFFAOYSA-N 0 1 293.244 3.682 20 0 CHADMN CC(=O)c1ccccc1Nc1c(F)cc(F)c(O)c1F ZINC001176671972 1121673169 /nfs/dbraw/zinc/67/31/69/1121673169.db2.gz QCOPKSLQQODDEX-UHFFFAOYSA-N 0 1 281.233 3.756 20 0 CHADMN Cc1ccccc1CN(C)Cc1scnc1C1CC1 ZINC000495059207 1121674679 /nfs/dbraw/zinc/67/46/79/1121674679.db2.gz MPJUUZXFIMMZPO-UHFFFAOYSA-N 0 1 272.417 3.961 20 0 CHADMN Cn1cc(CN[C@H]2CCCc3ccc(F)cc32)c(C2CC2)n1 ZINC000894160302 1121677759 /nfs/dbraw/zinc/67/77/59/1121677759.db2.gz AQAPJVYFNZQSCQ-KRWDZBQOSA-N 0 1 299.393 3.604 20 0 CHADMN CC(C)Cc1noc(CN(C2CC2)C2CCC(C)CC2)n1 ZINC000052103860 1121678901 /nfs/dbraw/zinc/67/89/01/1121678901.db2.gz WWNYROGEQGHGOY-UHFFFAOYSA-N 0 1 291.439 3.811 20 0 CHADMN Cc1ncc(CN(C)Cc2cc(C)cc(C)c2)s1 ZINC000052101212 1121679205 /nfs/dbraw/zinc/67/92/05/1121679205.db2.gz RKSFHHZWGJORHH-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN CC[C@@H](NCc1ocnc1C)c1ccc(Cl)cc1 ZINC000894165367 1121688096 /nfs/dbraw/zinc/68/80/96/1121688096.db2.gz CWEZVBFTJIGMDZ-CYBMUJFWSA-N 0 1 264.756 3.877 20 0 CHADMN CN(Cc1ccoc1)Cc1ccc(OC(F)(F)F)cc1 ZINC000345088946 1121693573 /nfs/dbraw/zinc/69/35/73/1121693573.db2.gz GBXODRCYJMNJDK-UHFFFAOYSA-N 0 1 285.265 3.810 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)CCc1ccccc1O ZINC000544186664 1121693641 /nfs/dbraw/zinc/69/36/41/1121693641.db2.gz BNWKIXWVMZJRJI-LBPRGKRZSA-N 0 1 291.341 3.906 20 0 CHADMN COc1ccc(CN(Cc2ccccn2)C(C)C)cc1F ZINC000052218332 1121695694 /nfs/dbraw/zinc/69/56/94/1121695694.db2.gz MLHVABACPTZISF-UHFFFAOYSA-N 0 1 288.366 3.640 20 0 CHADMN COc1cccc(CN2CCc3sccc3[C@@H]2C)c1 ZINC000053150772 1121695951 /nfs/dbraw/zinc/69/59/51/1121695951.db2.gz PUIXKSXPQKDUBR-LBPRGKRZSA-N 0 1 273.401 3.876 20 0 CHADMN C#CCN(Cc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC000047406056 1121697106 /nfs/dbraw/zinc/69/71/06/1121697106.db2.gz LRHWBUIEWZMMFP-HXUWFJFHSA-N 0 1 286.378 3.681 20 0 CHADMN C[C@H]1[C@@H](C)N(Cc2nnc(-c3ccccc3)s2)C[C@H]1C ZINC000419364041 1121700234 /nfs/dbraw/zinc/70/02/34/1121700234.db2.gz WNULRQVPQUYEBU-JHJVBQTASA-N 0 1 287.432 3.681 20 0 CHADMN O=C(CCn1cccc1)Nc1c(Cl)ccc(O)c1Cl ZINC001176935569 1121700375 /nfs/dbraw/zinc/70/03/75/1121700375.db2.gz UNZPWVYKSLPPRC-UHFFFAOYSA-N 0 1 299.157 3.529 20 0 CHADMN C[C@@H](CN1CCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500959527 1121700472 /nfs/dbraw/zinc/70/04/72/1121700472.db2.gz VSMZXBYGDDNPNN-NWDGAFQWSA-N 0 1 287.325 3.530 20 0 CHADMN Cc1ccccc1-c1nc(CN2C[C@H](C)[C@H](C)[C@@H]2C)no1 ZINC000419371697 1121703285 /nfs/dbraw/zinc/70/32/85/1121703285.db2.gz LDCFDNOENMOOFR-IHRRRGAJSA-N 0 1 285.391 3.521 20 0 CHADMN C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cccc(Cl)c1Cl ZINC001204181609 1121703907 /nfs/dbraw/zinc/70/39/07/1121703907.db2.gz VPWAAJITNOYHSH-WDEREUQCSA-N 0 1 287.234 3.518 20 0 CHADMN Cc1ccc2cc(CNCc3ccccc3F)[nH]c2c1 ZINC001177117041 1121710458 /nfs/dbraw/zinc/71/04/58/1121710458.db2.gz GHPDSZVBPCHLQG-UHFFFAOYSA-N 0 1 268.335 3.905 20 0 CHADMN CSCc1ccc(CN(C)Cc2cnccc2C)cc1 ZINC000894170900 1121715338 /nfs/dbraw/zinc/71/53/38/1121715338.db2.gz JTQIMYZUPMJBCR-UHFFFAOYSA-N 0 1 286.444 3.885 20 0 CHADMN Fc1cccc(CNCc2cc3cc(Cl)cnc3o2)c1 ZINC001177153453 1121716300 /nfs/dbraw/zinc/71/63/00/1121716300.db2.gz PWAXPVWGTDRHOZ-UHFFFAOYSA-N 0 1 290.725 3.910 20 0 CHADMN CC[C@H](NCc1ocnc1C)c1cccc(Cl)c1 ZINC000894173042 1121718719 /nfs/dbraw/zinc/71/87/19/1121718719.db2.gz FQSQGHAZKSPAFQ-ZDUSSCGKSA-N 0 1 264.756 3.877 20 0 CHADMN C[C@H](c1nc([C@@H]2Cc3ccccc32)no1)N1[C@H](C)CC[C@@H]1C ZINC000527198225 1121729667 /nfs/dbraw/zinc/72/96/67/1121729667.db2.gz YXRWLOQOMDUZLZ-OQMKEHIESA-N 0 1 297.402 3.691 20 0 CHADMN Cc1cc(C)c([C@@H](C)[N@H+]2CCC[C@](C)(C(=O)[O-])C2)c(C)c1 ZINC000227830003 1121730251 /nfs/dbraw/zinc/73/02/51/1121730251.db2.gz KQAFVGULRHTTEJ-QAPCUYQASA-N 0 1 289.419 3.860 20 0 CHADMN C[C@H](NCc1cc2ccncc2s1)c1ccccn1 ZINC001177507325 1121732918 /nfs/dbraw/zinc/73/29/18/1121732918.db2.gz ZYWIQUGUGFXJJO-NSHDSACASA-N 0 1 269.373 3.542 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N1CCN(C(C)C)CC1 ZINC000727676567 1121735225 /nfs/dbraw/zinc/73/52/25/1121735225.db2.gz FDSCVBASYRQHJF-INIZCTEOSA-N 0 1 282.472 3.536 20 0 CHADMN Cc1cccc(CN2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC000773678805 1121736640 /nfs/dbraw/zinc/73/66/40/1121736640.db2.gz WGOZKLUEVFRPHV-UHFFFAOYSA-N 0 1 299.805 3.728 20 0 CHADMN COc1ccc2c(c1)CC[C@@H]2NCc1ccccc1F ZINC000631560693 1129007162 /nfs/dbraw/zinc/00/71/62/1129007162.db2.gz CWEKLOUEZBZUFE-KRWDZBQOSA-N 0 1 271.335 3.611 20 0 CHADMN CCCc1cccc(CNc2ccc3nn[nH]c3c2)c1 ZINC001178046013 1121763597 /nfs/dbraw/zinc/76/35/97/1121763597.db2.gz DNJBPCCZHJTUDD-UHFFFAOYSA-N 0 1 266.348 3.523 20 0 CHADMN CCCc1cccc(CNc2ccc3n[nH]nc3c2)c1 ZINC001178046013 1121763605 /nfs/dbraw/zinc/76/36/05/1121763605.db2.gz DNJBPCCZHJTUDD-UHFFFAOYSA-N 0 1 266.348 3.523 20 0 CHADMN CN(CC/C=C/c1cccnc1)Cc1ccc(F)cc1F ZINC001204212955 1121769539 /nfs/dbraw/zinc/76/95/39/1121769539.db2.gz VQZPYQKZPFPVBO-GORDUTHDSA-N 0 1 288.341 3.895 20 0 CHADMN COc1cc(F)cc(CNCc2ccc(C)cc2F)c1 ZINC001178209619 1121772550 /nfs/dbraw/zinc/77/25/50/1121772550.db2.gz YXXKJHTXKSBXAU-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN Cc1nc2c(s1)[C@H](NCc1cc(F)cc(F)c1)CCC2 ZINC001178284933 1121776206 /nfs/dbraw/zinc/77/62/06/1121776206.db2.gz FIJHYHIEQZYLCH-CYBMUJFWSA-N 0 1 294.370 3.897 20 0 CHADMN Cc1nc2c(s1)[C@@H](NCc1cc(F)cc(F)c1)CCC2 ZINC001178284934 1121776848 /nfs/dbraw/zinc/77/68/48/1121776848.db2.gz FIJHYHIEQZYLCH-ZDUSSCGKSA-N 0 1 294.370 3.897 20 0 CHADMN Cc1nc(CN(CCC(C)C)C2CC2)sc1C ZINC000173188962 1121777362 /nfs/dbraw/zinc/77/73/62/1121777362.db2.gz RFRZMSUGXAQBMB-UHFFFAOYSA-N 0 1 252.427 3.770 20 0 CHADMN Fc1cccc2c1OCCC[C@@H]2NCc1cccs1 ZINC001178346090 1121780429 /nfs/dbraw/zinc/78/04/29/1121780429.db2.gz GBNQEJDIHOSJHO-AWEZNQCLSA-N 0 1 277.364 3.891 20 0 CHADMN CCCN(C)CC(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000730096941 1121793963 /nfs/dbraw/zinc/79/39/63/1121793963.db2.gz PZKBTIDWSCQAOC-UHFFFAOYSA-N 0 1 297.402 3.711 20 0 CHADMN Fc1cc(CNc2ccc3c(n2)CCC3)ccc1Cl ZINC001178742114 1121811259 /nfs/dbraw/zinc/81/12/59/1121811259.db2.gz NJWZKCGEBBEEQL-UHFFFAOYSA-N 0 1 276.742 3.975 20 0 CHADMN C=Cc1ccc(CCNCc2nc(C(C)(C)C)co2)cc1 ZINC001178778020 1121819358 /nfs/dbraw/zinc/81/93/58/1121819358.db2.gz HBJJMOUPXCIIDD-UHFFFAOYSA-N 0 1 284.403 3.947 20 0 CHADMN CCc1cc(OC)ccc1CN1C[C@H](CC)O[C@@H](CC)C1 ZINC001206351429 1121827666 /nfs/dbraw/zinc/82/76/66/1121827666.db2.gz VGGHGCQBKKAWNF-IRXDYDNUSA-N 0 1 291.435 3.647 20 0 CHADMN C[C@@H](CCC(C)(C)C)NCc1nccc(C(F)(F)F)n1 ZINC000414236754 1121835037 /nfs/dbraw/zinc/83/50/37/1121835037.db2.gz IKLUNVBPGPYJRU-JTQLQIEISA-N 0 1 289.345 3.800 20 0 CHADMN Cc1ncoc1CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000894233435 1121835230 /nfs/dbraw/zinc/83/52/30/1121835230.db2.gz HTZVEWYPJGYIRZ-INIZCTEOSA-N 0 1 274.339 3.753 20 0 CHADMN Cc1ncoc1CNCc1ccc(C)c2ccccc12 ZINC001178958830 1121835798 /nfs/dbraw/zinc/83/57/98/1121835798.db2.gz RCVSCAKBHYAWNM-UHFFFAOYSA-N 0 1 266.344 3.734 20 0 CHADMN C[C@H](O)[C@H](NC/C=C\c1ccccc1)c1ccccc1F ZINC001179082217 1121848416 /nfs/dbraw/zinc/84/84/16/1121848416.db2.gz WRGNWCHBCRVBOG-CMSNQAMHSA-N 0 1 285.362 3.551 20 0 CHADMN Cc1ccccc1[C@@H](C)CC(=O)NCc1cnc(C(C)C)[nH]1 ZINC001179091674 1121850109 /nfs/dbraw/zinc/85/01/09/1121850109.db2.gz ABZNIRQAYSZYCE-AWEZNQCLSA-N 0 1 299.418 3.652 20 0 CHADMN C[C@H]1CCCC[C@H]1N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000030379181 1121854860 /nfs/dbraw/zinc/85/48/60/1121854860.db2.gz UVXYJGMONQFOHI-SUMWQHHRSA-N 0 1 297.402 3.727 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNc2cnccc2-n2cccn2)o1 ZINC000345184513 1121856317 /nfs/dbraw/zinc/85/63/17/1121856317.db2.gz JPEUVTXEJZHOFL-OCCSQVGLSA-N 0 1 294.358 3.596 20 0 CHADMN CC(C)n1c(CNCC2=CCCC2)nc2ccccc21 ZINC001179200881 1121858606 /nfs/dbraw/zinc/85/86/06/1121858606.db2.gz ZLDZKGWPJPICFR-UHFFFAOYSA-N 0 1 269.392 3.817 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCc3cccc(C)n3)n2)cc1 ZINC000345390880 1121877045 /nfs/dbraw/zinc/87/70/45/1121877045.db2.gz AUCCFDVCMCIZNK-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN CCC(CC)(CC)CNC(=O)c1sccc1CN(C)C ZINC000345402179 1121883285 /nfs/dbraw/zinc/88/32/85/1121883285.db2.gz MYJLKYDACZUPRY-UHFFFAOYSA-N 0 1 296.480 3.756 20 0 CHADMN CC(C)(C)c1ccncc1CN[C@H]1CCCc2ncccc21 ZINC000631636646 1129015974 /nfs/dbraw/zinc/01/59/74/1129015974.db2.gz KPUDEACKMOEGJC-SFHVURJKSA-N 0 1 295.430 3.941 20 0 CHADMN CCC[C@@H](NCc1ccc(CO)cc1)c1cc(C)ccn1 ZINC000631641852 1129016309 /nfs/dbraw/zinc/01/63/09/1129016309.db2.gz YDOKQJNVSHNZPJ-QGZVFWFLSA-N 0 1 284.403 3.513 20 0 CHADMN Cc1nc2ccc(NC(=O)C[C@H]3CC[C@H](C)C3)cc2[nH]1 ZINC000345531997 1121892619 /nfs/dbraw/zinc/89/26/19/1121892619.db2.gz ALMAENQIVWZBCB-JQWIXIFHSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@@H](CC(C)C)C2)c1 ZINC000345541228 1121894587 /nfs/dbraw/zinc/89/45/87/1121894587.db2.gz LAIXXUNTFGYJAE-AWEZNQCLSA-N 0 1 299.418 3.770 20 0 CHADMN Cc1ccc(CNCc2cc3cnccc3o2)cc1F ZINC001179658122 1121896119 /nfs/dbraw/zinc/89/61/19/1121896119.db2.gz CJGUXBCKPUFIMF-UHFFFAOYSA-N 0 1 270.307 3.565 20 0 CHADMN COc1cc(NCc2n[nH]c(C)c2C)cc2ccccc21 ZINC001179662943 1121901654 /nfs/dbraw/zinc/90/16/54/1121901654.db2.gz ZJLFNCZVSSZGCT-UHFFFAOYSA-N 0 1 281.359 3.800 20 0 CHADMN Cc1ccc(-c2ccc(CNCc3cn(C)cn3)s2)cc1 ZINC001179772425 1121906400 /nfs/dbraw/zinc/90/64/00/1121906400.db2.gz ZXJJCJJICRFBQW-UHFFFAOYSA-N 0 1 297.427 3.747 20 0 CHADMN CCC[C@@H](NCc1c(C2CC2)cnn1C)c1cc(C)ccn1 ZINC000631646795 1129017641 /nfs/dbraw/zinc/01/76/41/1129017641.db2.gz PRCYAIXQWLLSCP-MRXNPFEDSA-N 0 1 298.434 3.632 20 0 CHADMN Cl/C=C\CNCc1ccccc1OC1CCCC1 ZINC001179748146 1121908502 /nfs/dbraw/zinc/90/85/02/1121908502.db2.gz ZCZIQEVIMROCQW-YHYXMXQVSA-N 0 1 265.784 3.850 20 0 CHADMN C[C@H]1CC(C)(C)C[C@@H]1NCc1nc(C(C)(C)C)co1 ZINC001179764395 1121909749 /nfs/dbraw/zinc/90/97/49/1121909749.db2.gz SYUPVOHKWUXNDK-RYUDHWBXSA-N 0 1 264.413 3.886 20 0 CHADMN Cc1cc(CN[C@@]2(CO)CC[C@@H](C)c3ccccc32)c(C)o1 ZINC001179790033 1121911233 /nfs/dbraw/zinc/91/12/33/1121911233.db2.gz ZOMBBVRCBQACDX-BFUOFWGJSA-N 0 1 299.414 3.771 20 0 CHADMN COc1ccc(CN2CCCCC[C@H]2c2ccco2)o1 ZINC001179931531 1121925653 /nfs/dbraw/zinc/92/56/53/1121925653.db2.gz NGNGPYXKIJQVND-AWEZNQCLSA-N 0 1 275.348 3.999 20 0 CHADMN CCCCC(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732540144 1121925941 /nfs/dbraw/zinc/92/59/41/1121925941.db2.gz BPYZEMOWMHMTDI-SECBINFHSA-N 0 1 279.771 3.584 20 0 CHADMN C[C@H](NC(=O)C1CCCC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000732545800 1121926132 /nfs/dbraw/zinc/92/61/32/1121926132.db2.gz YEHJUNBRFXIBEX-VIFPVBQESA-N 0 1 291.782 3.584 20 0 CHADMN CCC/C=C/C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732559848 1121926709 /nfs/dbraw/zinc/92/67/09/1121926709.db2.gz SBNDNCYPHAARJZ-BRAIEQGRSA-N 0 1 291.782 3.750 20 0 CHADMN CC[C@H]1CCN(Cc2cccc(F)c2OC(F)(F)F)C1 ZINC001179979525 1121931782 /nfs/dbraw/zinc/93/17/82/1121931782.db2.gz HYBMMIWQUWMNKG-JTQLQIEISA-N 0 1 291.288 3.956 20 0 CHADMN CC[C@@H](CN1CCC[C@H]1C(=O)OC(C)C)c1ccccc1 ZINC001179962189 1121936323 /nfs/dbraw/zinc/93/63/23/1121936323.db2.gz MQTSTFIXFGYJHW-RDJZCZTQSA-N 0 1 289.419 3.596 20 0 CHADMN CCCn1cncc1CN1CCC[C@H]1c1ccccc1OC ZINC001180052682 1121943113 /nfs/dbraw/zinc/94/31/13/1121943113.db2.gz SRSYAPWKBJOHAV-KRWDZBQOSA-N 0 1 299.418 3.639 20 0 CHADMN CS[C@H]1CC[C@@H](N(C)Cc2c(F)cc(C)cc2F)C1 ZINC001180071613 1121946804 /nfs/dbraw/zinc/94/68/04/1121946804.db2.gz DFIUCYLRVOEEQI-NEPJUHHUSA-N 0 1 285.403 3.989 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(C(F)F)c(F)c2)CCCO1 ZINC000894243760 1121953160 /nfs/dbraw/zinc/95/31/60/1121953160.db2.gz MOFSBPVQDMRXTB-GFCCVEGCSA-N 0 1 287.325 3.764 20 0 CHADMN C[C@@H](NC[C@]1(O)CCCC(C)(C)CC1)c1nccs1 ZINC000631679691 1129020687 /nfs/dbraw/zinc/02/06/87/1129020687.db2.gz LTSRFNNPGUHKGU-DOMZBBRYSA-N 0 1 282.453 3.515 20 0 CHADMN CCCCc1nc(CN2C[C@@H]3CCC[C@@H]3C2)cs1 ZINC000153116977 1129020624 /nfs/dbraw/zinc/02/06/24/1129020624.db2.gz RWLVSCDUKHUNKL-BETUJISGSA-N 0 1 264.438 3.718 20 0 CHADMN Nc1cccc(CN2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000647889388 1121955554 /nfs/dbraw/zinc/95/55/54/1121955554.db2.gz LYEZUPPHPPQZRU-MRXNPFEDSA-N 0 1 272.779 3.869 20 0 CHADMN COc1ccc(CN2CC=C(c3ccc(C)cc3)CC2)o1 ZINC001180178147 1121956203 /nfs/dbraw/zinc/95/62/03/1121956203.db2.gz QUTSELBRIPYQFG-UHFFFAOYSA-N 0 1 283.371 3.886 20 0 CHADMN Cc1ccc(CN2CCN(C)c3ccccc3C2)c(F)c1 ZINC001180213633 1121961889 /nfs/dbraw/zinc/96/18/89/1121961889.db2.gz WDYQRHREXPNHKX-UHFFFAOYSA-N 0 1 284.378 3.586 20 0 CHADMN C[C@H]1N(Cc2ccc(C3CC3)cc2)CCOC1(C)C ZINC001180203643 1121963264 /nfs/dbraw/zinc/96/32/64/1121963264.db2.gz WRAWCOXWMQSVMG-CYBMUJFWSA-N 0 1 259.393 3.563 20 0 CHADMN CCOCCN(CC)Cc1cc(Cl)ccc1OCC ZINC001180258094 1121969355 /nfs/dbraw/zinc/96/93/55/1121969355.db2.gz QOUWQWVHNTZIQU-UHFFFAOYSA-N 0 1 285.815 3.597 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N[C@@H](C)c2cnccn2)c1 ZINC000070478816 1121969546 /nfs/dbraw/zinc/96/95/46/1121969546.db2.gz XAMKWMWVWHUOJR-KGLIPLIRSA-N 0 1 255.365 3.505 20 0 CHADMN Cc1scc(CN2CCOC[C@@H]2CC(C)C)c1C ZINC001180272038 1121972445 /nfs/dbraw/zinc/97/24/45/1121972445.db2.gz XVVKBPZVULNTHX-HNNXBMFYSA-N 0 1 267.438 3.612 20 0 CHADMN C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C1CCC(F)CC1 ZINC000619961351 1129021739 /nfs/dbraw/zinc/02/17/39/1129021739.db2.gz BQSLANVOMLJUIU-GRZMOONWSA-N 0 1 299.773 3.692 20 0 CHADMN CC(C)c1cnc(CN(C)C2CCCCCC2)o1 ZINC000733307228 1121974587 /nfs/dbraw/zinc/97/45/87/1121974587.db2.gz LOWGVADPPXKFLN-UHFFFAOYSA-N 0 1 250.386 3.953 20 0 CHADMN [O-]c1ccc(C[NH2+]Cc2cc3ccccc3[nH]2)cc1Cl ZINC000733325955 1121975505 /nfs/dbraw/zinc/97/55/05/1121975505.db2.gz ATIVKUXYICODMH-UHFFFAOYSA-N 0 1 286.762 3.817 20 0 CHADMN C[C@]1(F)CCN(CCOc2cccc3ccccc32)C1 ZINC000501412562 1121975908 /nfs/dbraw/zinc/97/59/08/1121975908.db2.gz VCJYOETWFVEDHD-KRWDZBQOSA-N 0 1 273.351 3.653 20 0 CHADMN COc1cc(C[NH2+]Cc2ccc([O-])c(Cl)c2)ccc1C ZINC000733325880 1121976543 /nfs/dbraw/zinc/97/65/43/1121976543.db2.gz VRDQYCUXGPYIDE-UHFFFAOYSA-N 0 1 291.778 3.652 20 0 CHADMN [O-]c1ccc(C[NH2+]C/C=C/c2ccccc2)cc1Cl ZINC000733326599 1121977338 /nfs/dbraw/zinc/97/73/38/1121977338.db2.gz NVWMOAMFLXKACP-QPJJXVBHSA-N 0 1 273.763 3.849 20 0 CHADMN C[C@]1(F)CC[N@@H+](CCCSCc2ccccc2)C1 ZINC000501420608 1121978321 /nfs/dbraw/zinc/97/83/21/1121978321.db2.gz RKUMLHVASYETNK-HNNXBMFYSA-N 0 1 267.413 3.744 20 0 CHADMN C[C@@]1(F)CC[N@@H+](CCCSCc2ccccc2)C1 ZINC000501420609 1121978360 /nfs/dbraw/zinc/97/83/60/1121978360.db2.gz RKUMLHVASYETNK-OAHLLOKOSA-N 0 1 267.413 3.744 20 0 CHADMN Cc1occc1C[N@@H+]1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000414438208 1121980074 /nfs/dbraw/zinc/98/00/74/1121980074.db2.gz VAJRETFVYKMXKE-JOYOIKCWSA-N 0 1 261.287 3.751 20 0 CHADMN Cc1occc1CN1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000414438208 1121980078 /nfs/dbraw/zinc/98/00/78/1121980078.db2.gz VAJRETFVYKMXKE-JOYOIKCWSA-N 0 1 261.287 3.751 20 0 CHADMN CC[C@@H]1C[C@H](N[C@@H](C)c2nc3ccccc3s2)CO1 ZINC000688522623 1129022775 /nfs/dbraw/zinc/02/27/75/1129022775.db2.gz GCLJDPKXJNYTLM-SDDRHHMPSA-N 0 1 276.405 3.514 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2cc3cccc(F)c3o2)cn1 ZINC000414440364 1121983518 /nfs/dbraw/zinc/98/35/18/1121983518.db2.gz UUZIHIXATUNXKI-NSHDSACASA-N 0 1 299.349 3.775 20 0 CHADMN CCN(Cc1cn(-c2ccccc2C)nn1)C1CCCCC1 ZINC001180430307 1121988103 /nfs/dbraw/zinc/98/81/03/1121988103.db2.gz LNZSRJPHXAPVCY-UHFFFAOYSA-N 0 1 298.434 3.730 20 0 CHADMN Cc1ccc(C)c([C@@H](C)NCc2cccc(N(C)C)n2)c1 ZINC000163134110 1129023315 /nfs/dbraw/zinc/02/33/15/1129023315.db2.gz JJQBCSGRRHLUDY-OAHLLOKOSA-N 0 1 283.419 3.615 20 0 CHADMN Clc1ccc2c(c1)CC[C@H]2NCc1ccns1 ZINC000404267791 1121997377 /nfs/dbraw/zinc/99/73/77/1121997377.db2.gz INYAIMRVQRTNOO-CYBMUJFWSA-N 0 1 264.781 3.574 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(C)o2)c(C)c1 ZINC000631729647 1129023977 /nfs/dbraw/zinc/02/39/77/1129023977.db2.gz HGMQWBZPJIFJQF-ZDUSSCGKSA-N 0 1 259.349 3.756 20 0 CHADMN Cc1ncoc1CN[C@@H](c1ccccc1C)C(C)C ZINC000894250102 1122003743 /nfs/dbraw/zinc/00/37/43/1122003743.db2.gz DNCQBLWYLZOZMS-MRXNPFEDSA-N 0 1 258.365 3.778 20 0 CHADMN C[C@@H]1CCN(Cc2coc(-c3ccc(F)cc3)n2)C[C@H]1C ZINC000501774853 1122008406 /nfs/dbraw/zinc/00/84/06/1122008406.db2.gz LAVFDQOKOWVERF-CHWSQXEVSA-N 0 1 288.366 3.959 20 0 CHADMN C[C@@H](NCCCCCc1ccccc1)c1ncco1 ZINC000924925518 1122022761 /nfs/dbraw/zinc/02/27/61/1122022761.db2.gz MWHMLIRIBODLCB-CQSZACIVSA-N 0 1 258.365 3.738 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccccc21)c1nc2c(s1)CCC2 ZINC000502018296 1122031771 /nfs/dbraw/zinc/03/17/71/1122031771.db2.gz OXOGUGRMZZBSEM-BXUZGUMPSA-N 0 1 284.428 3.970 20 0 CHADMN CC[C@]1(C)COCCN1C[C@@H](C)c1cccc(Cl)c1 ZINC001181065322 1122031934 /nfs/dbraw/zinc/03/19/34/1122031934.db2.gz JTJIPOWOFYZGFX-CZUORRHYSA-N 0 1 281.827 3.944 20 0 CHADMN C[C@H](N[C@H](CN1CCCCC1)c1ccccc1)c1ncco1 ZINC000924926555 1122032497 /nfs/dbraw/zinc/03/24/97/1122032497.db2.gz YSVJXZJOLJZAAQ-DOTOQJQBSA-N 0 1 299.418 3.552 20 0 CHADMN Cc1[nH]c2ccccc2c1CN1CCc2occc2C1 ZINC001204293737 1122044399 /nfs/dbraw/zinc/04/43/99/1122044399.db2.gz IEWVXDKCRJTOEF-UHFFFAOYSA-N 0 1 266.344 3.628 20 0 CHADMN C[C@H]1CN(Cc2cccc(C3CC3)c2)C[C@@H](C2CC2)O1 ZINC001181371423 1122050955 /nfs/dbraw/zinc/05/09/55/1122050955.db2.gz BIJLGHPRAXMSBH-UGSOOPFHSA-N 0 1 271.404 3.563 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cnn(C3CCC3)c2)c1 ZINC001181445215 1122055487 /nfs/dbraw/zinc/05/54/87/1122055487.db2.gz KVPQTOZXPJVBPO-UHFFFAOYSA-N 0 1 283.419 3.857 20 0 CHADMN CCC[C@H](CN1CC[C@@H]1c1ccc(Cl)cc1)OC ZINC001181708597 1122070905 /nfs/dbraw/zinc/07/09/05/1122070905.db2.gz YDRSGMCKURJXAF-HUUCEWRRSA-N 0 1 267.800 3.902 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)c1[nH]cnc1C(C)(C)C ZINC000630400056 1122074584 /nfs/dbraw/zinc/07/45/84/1122074584.db2.gz ABHONUKWLUFXBZ-UHFFFAOYSA-N 0 1 291.782 3.921 20 0 CHADMN CC(C)[C@@H]1[C@@H](C(C)C)C[N@@H+]1Cc1ccc([O-])c(F)c1F ZINC001181752729 1122074955 /nfs/dbraw/zinc/07/49/55/1122074955.db2.gz JUCOJSISBMXSHN-MLGOLLRUSA-N 0 1 283.362 3.783 20 0 CHADMN CC(C)[C@@H]1[C@@H](C(C)C)C[N@H+]1Cc1ccc([O-])c(F)c1F ZINC001181752729 1122074964 /nfs/dbraw/zinc/07/49/64/1122074964.db2.gz JUCOJSISBMXSHN-MLGOLLRUSA-N 0 1 283.362 3.783 20 0 CHADMN CC1(C)Cc2occc2[C@H](N[C@@H]2CCCn3nccc32)C1 ZINC000631808521 1129030215 /nfs/dbraw/zinc/03/02/15/1129030215.db2.gz FIKFIPBWJVOAPH-ZIAGYGMSSA-N 0 1 285.391 3.614 20 0 CHADMN CC1=CCC[C@@H](C)[C@@H]1CNCc1nccc(C(F)(F)F)n1 ZINC000414509879 1122089828 /nfs/dbraw/zinc/08/98/28/1122089828.db2.gz STBJMJSGCIPQCV-VXGBXAGGSA-N 0 1 299.340 3.577 20 0 CHADMN Cc1c(Cl)c(CN2[C@H](C)C[C@@H]3CCCC[C@@H]32)nn1C ZINC000421318504 1122092974 /nfs/dbraw/zinc/09/29/74/1122092974.db2.gz FZQKIGYKPNOFIY-OSMZGAPFSA-N 0 1 281.831 3.535 20 0 CHADMN CC(C)Cc1ncc(CN[C@@H]2CCCC[C@H]2F)s1 ZINC000414510395 1122095209 /nfs/dbraw/zinc/09/52/09/1122095209.db2.gz HUUAEQPBWHWFJI-CHWSQXEVSA-N 0 1 270.417 3.712 20 0 CHADMN C[C@H](N[C@H]1CCCn2nccc21)c1ccc2ccccc2n1 ZINC000631810059 1129030899 /nfs/dbraw/zinc/03/08/99/1129030899.db2.gz VZJDWCVDBDOPEX-GUYCJALGSA-N 0 1 292.386 3.617 20 0 CHADMN COc1ccc(SCCN2CCC[C@](C)(F)C2)cc1 ZINC001181985906 1122100654 /nfs/dbraw/zinc/10/06/54/1122100654.db2.gz IEULULYJJKAYLQ-HNNXBMFYSA-N 0 1 283.412 3.611 20 0 CHADMN CC[C@@H](C)C1CCC(NC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001182002106 1122102180 /nfs/dbraw/zinc/10/21/80/1122102180.db2.gz XVIOPDIFPDZZMY-VXLLPVPCSA-N 0 1 294.483 3.582 20 0 CHADMN COc1ccc(CN2Cc3cc(C)ccc3CC2(C)C)o1 ZINC001181998604 1122102314 /nfs/dbraw/zinc/10/23/14/1122102314.db2.gz RHGBAPBTSXTWCJ-UHFFFAOYSA-N 0 1 285.387 3.934 20 0 CHADMN Cc1cc(CN(C(C)C)[C@@H](C)c2ccsc2)n(C)n1 ZINC000421378234 1122105168 /nfs/dbraw/zinc/10/51/68/1122105168.db2.gz UYMDBIJNDGYSQG-ZDUSSCGKSA-N 0 1 277.437 3.762 20 0 CHADMN Cc1ccc(CN[C@H](CC(F)F)c2ccccc2)cn1 ZINC000421378232 1122105333 /nfs/dbraw/zinc/10/53/33/1122105333.db2.gz UYGGBYMUQWEYMT-OAHLLOKOSA-N 0 1 276.330 3.876 20 0 CHADMN Cc1cccc(CN2CC(C3CC3)C2)c1Br ZINC001182070825 1122109002 /nfs/dbraw/zinc/10/90/02/1122109002.db2.gz DGJAMAPTBWPAOA-UHFFFAOYSA-N 0 1 280.209 3.599 20 0 CHADMN Cc1cc(CNCc2cnc(-c3ccco3)s2)cc(C)n1 ZINC000421390992 1122109526 /nfs/dbraw/zinc/10/95/26/1122109526.db2.gz VPTDCAZEMMGMJE-UHFFFAOYSA-N 0 1 299.399 3.705 20 0 CHADMN Cc1cc(CNCc2cnc(C(C)C)s2)cc(C)n1 ZINC000421392992 1122111244 /nfs/dbraw/zinc/11/12/44/1122111244.db2.gz YGINLZMMRMMQJU-UHFFFAOYSA-N 0 1 275.421 3.568 20 0 CHADMN Cc1cc([C@H](C)NCCCOc2c(C)cccc2C)no1 ZINC000502576771 1122114588 /nfs/dbraw/zinc/11/45/88/1122114588.db2.gz XSLRFQPRPMOKFM-HNNXBMFYSA-N 0 1 288.391 3.720 20 0 CHADMN Cc1ccccc1-n1nccc1CN1CC(C2CCCC2)C1 ZINC001182227529 1122120675 /nfs/dbraw/zinc/12/06/75/1122120675.db2.gz PPKKIHHOQPOPRA-UHFFFAOYSA-N 0 1 295.430 3.803 20 0 CHADMN Fc1c(CN2CC(C3CCCC3)C2)cccc1OC1CC1 ZINC001182228379 1122121781 /nfs/dbraw/zinc/12/17/81/1122121781.db2.gz YIKRNUSVXKCOFV-UHFFFAOYSA-N 0 1 289.394 3.989 20 0 CHADMN CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cccn2C)cc1 ZINC000153303666 1129032710 /nfs/dbraw/zinc/03/27/10/1129032710.db2.gz JDRSDPHQQHWTHS-SFHVURJKSA-N 0 1 284.403 3.761 20 0 CHADMN C[C@@H](NC1c2ccccc2-c2ccccc21)c1ccnn1C ZINC000774108871 1122128927 /nfs/dbraw/zinc/12/89/27/1122128927.db2.gz BZHRIYHRZFJAIT-CYBMUJFWSA-N 0 1 289.382 3.841 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCCc3nc(C)ncc32)c(C)o1 ZINC000774199878 1122138822 /nfs/dbraw/zinc/13/88/22/1122138822.db2.gz BIURMNIVEPDBLI-BDJLRTHQSA-N 0 1 285.391 3.723 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2ccnn2C)cc(C)c1F ZINC000774213092 1122144775 /nfs/dbraw/zinc/14/47/75/1122144775.db2.gz MEMBKVGWEWCMIJ-CHWSQXEVSA-N 0 1 275.371 3.588 20 0 CHADMN CCN(Cc1occc1C)Cc1ccc2c(c1)CCCO2 ZINC001182423930 1122152629 /nfs/dbraw/zinc/15/26/29/1122152629.db2.gz LPXAYUJVSWXVRB-UHFFFAOYSA-N 0 1 285.387 3.935 20 0 CHADMN Cc1ccc([O-])c(C[N@H+](CC2CC2)C2CCCCC2)n1 ZINC000513758851 1122154809 /nfs/dbraw/zinc/15/48/09/1122154809.db2.gz CHUYALNLPGVJPF-UHFFFAOYSA-N 0 1 274.408 3.640 20 0 CHADMN Cc1ccc([O-])c(C[N@@H+](CC2CC2)C2CCCCC2)n1 ZINC000513758851 1122154814 /nfs/dbraw/zinc/15/48/14/1122154814.db2.gz CHUYALNLPGVJPF-UHFFFAOYSA-N 0 1 274.408 3.640 20 0 CHADMN COc1ccc(CSc2nc(C(C)(C)C)n[nH]2)cc1C ZINC000647916085 1122161361 /nfs/dbraw/zinc/16/13/61/1122161361.db2.gz NJZUBJMGAKCPBR-UHFFFAOYSA-N 0 1 291.420 3.712 20 0 CHADMN COc1ccc(CSc2n[nH]c(C(C)(C)C)n2)cc1C ZINC000647916085 1122161365 /nfs/dbraw/zinc/16/13/65/1122161365.db2.gz NJZUBJMGAKCPBR-UHFFFAOYSA-N 0 1 291.420 3.712 20 0 CHADMN Brc1ccsc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000414562456 1122162965 /nfs/dbraw/zinc/16/29/65/1122162965.db2.gz AYILYZSXWCVKAI-PSASIEDQSA-N 0 1 298.205 3.749 20 0 CHADMN CC(C)=CCN(Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000503048285 1122164957 /nfs/dbraw/zinc/16/49/57/1122164957.db2.gz PPZMNPRZIQRVHT-UHFFFAOYSA-N 0 1 274.408 3.799 20 0 CHADMN Cc1ccc(C(C)(C)NCc2ccccc2F)cn1 ZINC000353172686 1122170008 /nfs/dbraw/zinc/17/00/08/1122170008.db2.gz CFYBWMJBCTYXHK-UHFFFAOYSA-N 0 1 258.340 3.554 20 0 CHADMN c1ccc(-c2nnc([C@@H]3CCC[N@H+]3[C@@H]3C=CCCC3)[n-]2)cc1 ZINC000503159748 1122170159 /nfs/dbraw/zinc/17/01/59/1122170159.db2.gz LDLYULPPGFTSFE-CVEARBPZSA-N 0 1 294.402 3.717 20 0 CHADMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(C)nc1Cl ZINC000688554963 1129036178 /nfs/dbraw/zinc/03/61/78/1129036178.db2.gz FLBDPWBDMOMZJY-WCQYABFASA-N 0 1 252.789 3.806 20 0 CHADMN COC1(C)CCN([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000271783180 1122174967 /nfs/dbraw/zinc/17/49/67/1122174967.db2.gz SMTVKMNIHMGQLM-LLVKDONJSA-N 0 1 269.335 3.527 20 0 CHADMN FC(F)(F)c1ccccc1CN[C@H]1CCCc2c[nH]nc21 ZINC000271775357 1122175599 /nfs/dbraw/zinc/17/55/99/1122175599.db2.gz CNFMZULOXCMDOD-ZDUSSCGKSA-N 0 1 295.308 3.596 20 0 CHADMN C[C@@H](NCc1cccc(N(C)C)c1)c1cccc(F)c1F ZINC000271795213 1122176563 /nfs/dbraw/zinc/17/65/63/1122176563.db2.gz NZFAQEXFHCATCQ-GFCCVEGCSA-N 0 1 290.357 3.882 20 0 CHADMN CCc1noc(C)c1CN[C@H](C)c1ccc(F)c(C)c1 ZINC000271826508 1122178353 /nfs/dbraw/zinc/17/83/53/1122178353.db2.gz VMBGVZLKJLIVQG-LLVKDONJSA-N 0 1 276.355 3.844 20 0 CHADMN Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c(Cl)n1 ZINC000688552294 1129036438 /nfs/dbraw/zinc/03/64/38/1129036438.db2.gz UGNWLNQYCWBIGB-WCQGTBRESA-N 0 1 252.789 3.520 20 0 CHADMN CO[C@H](c1ccccc1F)[C@@H](C)N[C@@H](C)c1nccs1 ZINC000271878039 1122180118 /nfs/dbraw/zinc/18/01/18/1122180118.db2.gz OQLQRMLMVNBASS-SUNKGSAMSA-N 0 1 294.395 3.709 20 0 CHADMN CO[C@H](C[N@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1)C1CC1 ZINC001182712521 1122183292 /nfs/dbraw/zinc/18/32/92/1122183292.db2.gz AVDKEQSLWSUFAW-YVEFUNNKSA-N 0 1 293.838 3.727 20 0 CHADMN CO[C@@H](c1ccccc1F)[C@H](C)NCc1occc1C ZINC000271982381 1122185800 /nfs/dbraw/zinc/18/58/00/1122185800.db2.gz JRCXWVQGVCJPMX-BLLLJJGKSA-N 0 1 277.339 3.593 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2cc(F)ccc21)c1cncs1 ZINC000272012736 1122186837 /nfs/dbraw/zinc/18/68/37/1122186837.db2.gz MFCBFSLZACSSBR-ZWNOBZJWSA-N 0 1 292.379 3.847 20 0 CHADMN C[C@@H](NC1(c2ccccc2F)CC1)c1cccc(CO)c1 ZINC000272164457 1122192509 /nfs/dbraw/zinc/19/25/09/1122192509.db2.gz OYMJNGRKZYDFNQ-CYBMUJFWSA-N 0 1 285.362 3.658 20 0 CHADMN CCc1ccc(C)nc1NC1CC2(C1)COC(C)(C)C2 ZINC001182872281 1122192680 /nfs/dbraw/zinc/19/26/80/1122192680.db2.gz CYDJRGBTLDGXRX-UHFFFAOYSA-N 0 1 274.408 3.712 20 0 CHADMN Cc1coc(-c2ccc(C)c(NCc3cn[nH]c3C)c2)n1 ZINC000152556725 1122193539 /nfs/dbraw/zinc/19/35/39/1122193539.db2.gz SFFHWDXADDZIKI-UHFFFAOYSA-N 0 1 282.347 3.602 20 0 CHADMN Oc1ccc2c(c1)[C@@H](NCc1coc3ccccc13)CC2 ZINC001182960485 1122196873 /nfs/dbraw/zinc/19/68/73/1122196873.db2.gz SECWQUYGSYKYGK-KRWDZBQOSA-N 0 1 279.339 3.916 20 0 CHADMN CC(C)SCCN1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC001183125518 1122206496 /nfs/dbraw/zinc/20/64/96/1122206496.db2.gz VEVASJHDYNDYRS-HNNXBMFYSA-N 0 1 295.448 3.575 20 0 CHADMN C[C@@H]1C[C@@H](CN[C@H](CCc2ccccc2)C(F)F)CCO1 ZINC000272584376 1122206546 /nfs/dbraw/zinc/20/65/46/1122206546.db2.gz VPYPXNJNDGPDKX-VNQPRFMTSA-N 0 1 297.389 3.658 20 0 CHADMN COCC[C@@H](N[C@H](C)c1cccc(OC)c1)c1ccco1 ZINC000272617329 1122207818 /nfs/dbraw/zinc/20/78/18/1122207818.db2.gz XLTKWMKCDIUFQY-CZUORRHYSA-N 0 1 289.375 3.717 20 0 CHADMN CC(C)CCN[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000272959386 1122216090 /nfs/dbraw/zinc/21/60/90/1122216090.db2.gz ZKLCVAKKZOUQFV-HNNXBMFYSA-N 0 1 291.826 3.799 20 0 CHADMN O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)[C@@H]1C[C@@H]1F ZINC001183387711 1122221065 /nfs/dbraw/zinc/22/10/65/1122221065.db2.gz DVQVQZHKOJRMND-OLZOCXBDSA-N 0 1 295.317 3.526 20 0 CHADMN Cc1nnc([C@H](C)N[C@H]2CC(C)(C)CCc3ccccc32)[nH]1 ZINC000664289851 1122221295 /nfs/dbraw/zinc/22/12/95/1122221295.db2.gz OSBSGGOWUBMMOR-LRDDRELGSA-N 0 1 298.434 3.868 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(C)sc2C)nc1 ZINC000273191514 1122222815 /nfs/dbraw/zinc/22/28/15/1122222815.db2.gz CWHGXLCGNODRFM-LLVKDONJSA-N 0 1 276.405 3.619 20 0 CHADMN COc1ncc(CN[C@H](C)c2cccs2)cc1Cl ZINC000273230396 1122223879 /nfs/dbraw/zinc/22/38/79/1122223879.db2.gz CGKGWCNPBLCCOU-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN CCc1noc(C)c1CN[C@H](C)c1ccc(C)s1 ZINC000273255975 1122225114 /nfs/dbraw/zinc/22/51/14/1122225114.db2.gz FBBWDHHMYMJGDY-SNVBAGLBSA-N 0 1 264.394 3.766 20 0 CHADMN Cc1nnc([C@H](C)NCCc2c(F)cccc2Cl)s1 ZINC000273594821 1122239835 /nfs/dbraw/zinc/23/98/35/1122239835.db2.gz JWNPEJJQCPUBPU-QMMMGPOBSA-N 0 1 299.802 3.532 20 0 CHADMN Cc1ccc(C[C@H](C)N[C@H]2c3ccccc3OC[C@H]2F)cc1 ZINC001183789775 1122240222 /nfs/dbraw/zinc/24/02/22/1122240222.db2.gz XVOXKJSLAAIVAB-YJLNNSPDSA-N 0 1 299.389 3.987 20 0 CHADMN Cc1cc(C)c(/C=C\C[N@H+]2CCO[C@@H](C)CC2)c(C)c1 ZINC001183919479 1122248121 /nfs/dbraw/zinc/24/81/21/1122248121.db2.gz LNJWFZNLJQVBIS-OSJSJHBBSA-N 0 1 273.420 3.736 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CCC[C@@H](C2CCC2)C1 ZINC000620213394 1129043027 /nfs/dbraw/zinc/04/30/27/1129043027.db2.gz CQGJJRQTUFDHJW-CYBMUJFWSA-N 0 1 293.794 3.698 20 0 CHADMN Cc1noc([C@H](N[C@@H](C)Cc2cccc(C)c2)C(C)C)n1 ZINC001184439958 1122274367 /nfs/dbraw/zinc/27/43/67/1122274367.db2.gz QPDKGIOVWSINDB-XJKSGUPXSA-N 0 1 287.407 3.604 20 0 CHADMN Cc1noc([C@@H](NC2CC(c3ccc(C)cc3)C2)C(C)C)n1 ZINC001184441215 1122276219 /nfs/dbraw/zinc/27/62/19/1122276219.db2.gz WIRGZFOIJYBGQQ-JCYILVPMSA-N 0 1 299.418 3.919 20 0 CHADMN CC(C)N(Cc1ccccc1)[C@H](c1nccn1C)C1CC1 ZINC000637810723 1122290231 /nfs/dbraw/zinc/29/02/31/1122290231.db2.gz KKDRUVYQLIIUMQ-KRWDZBQOSA-N 0 1 283.419 3.782 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1C[C@H](C)C[C@@H](C)C1 ZINC000075608110 1122306387 /nfs/dbraw/zinc/30/63/87/1122306387.db2.gz NOIUSTISXIXGAA-UTUOFQBUSA-N 0 1 291.420 3.837 20 0 CHADMN CCCc1ccc(C(=O)Nc2c(C)n[nH]c2C(F)F)s1 ZINC000632259730 1129045725 /nfs/dbraw/zinc/04/57/25/1129045725.db2.gz SLYFTXBFRBUBKS-UHFFFAOYSA-N 0 1 299.346 3.922 20 0 CHADMN CCN(Cc1ccc(C)cc1)[C@H](c1nccn1C)C1CC1 ZINC000637909460 1122315623 /nfs/dbraw/zinc/31/56/23/1122315623.db2.gz FGLMFYBUFAPHDA-KRWDZBQOSA-N 0 1 283.419 3.702 20 0 CHADMN Cc1cccc2nc(NC(=O)[C@@H]3CCC(C)(C)C3)[nH]c21 ZINC001185155865 1122326356 /nfs/dbraw/zinc/32/63/56/1122326356.db2.gz JIOZQVLJJFHNSP-LLVKDONJSA-N 0 1 271.364 3.636 20 0 CHADMN CC(C)(C)c1cccc(NS(=O)(=O)c2ccsc2)c1 ZINC001185384788 1122335738 /nfs/dbraw/zinc/33/57/38/1122335738.db2.gz YGTSMZUOQMVLJA-UHFFFAOYSA-N 0 1 295.429 3.846 20 0 CHADMN COc1cc2c(cc1F)nccc2NC[C@@]1(C)CC1(F)F ZINC000664398603 1122335785 /nfs/dbraw/zinc/33/57/85/1122335785.db2.gz PWGHSBUEFNOYNS-CQSZACIVSA-N 0 1 296.292 3.840 20 0 CHADMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc2ncccc2c1 ZINC000192981672 1129049093 /nfs/dbraw/zinc/04/90/93/1129049093.db2.gz HAUGBEIRKPMBSH-UHFFFAOYSA-N 0 1 298.773 3.884 20 0 CHADMN Fc1ccc([C@@H]2CCCN2C[C@@H]2CCC=CO2)cc1F ZINC000774887321 1122345173 /nfs/dbraw/zinc/34/51/73/1122345173.db2.gz KWECTBWTFDDCDI-BBRMVZONSA-N 0 1 279.330 3.794 20 0 CHADMN O=C(Nc1cccnc1)Nc1cc(Cl)c(O)cc1Cl ZINC001185686192 1122354058 /nfs/dbraw/zinc/35/40/58/1122354058.db2.gz LEESDVWZTGSXEL-UHFFFAOYSA-N 0 1 298.129 3.738 20 0 CHADMN COc1ccc(CN2CCC[C@H](C)C2)c(OC(F)F)c1 ZINC000505350205 1122358620 /nfs/dbraw/zinc/35/86/20/1122358620.db2.gz OCPJKCJUYWUOSI-NSHDSACASA-N 0 1 285.334 3.529 20 0 CHADMN CC(C)n1ncnc1C[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000434544704 1122378905 /nfs/dbraw/zinc/37/89/05/1122378905.db2.gz OIANHLOYAHNZHS-AWEZNQCLSA-N 0 1 278.444 3.507 20 0 CHADMN CC(C)n1ncnc1CN1CCC[C@H](C(C)(C)C)CC1 ZINC000434544704 1122378915 /nfs/dbraw/zinc/37/89/15/1122378915.db2.gz OIANHLOYAHNZHS-AWEZNQCLSA-N 0 1 278.444 3.507 20 0 CHADMN CCc1ccc([C@H](NCc2ccc(OC)nn2)C(C)C)cc1 ZINC000514118992 1122380878 /nfs/dbraw/zinc/38/08/78/1122380878.db2.gz PTOYBOHGJQVJRR-GOSISDBHSA-N 0 1 299.418 3.535 20 0 CHADMN CCN(Cc1ccnc(Cl)c1F)CC(C)(C)C ZINC000824424087 1122402054 /nfs/dbraw/zinc/40/20/54/1122402054.db2.gz XGVCICAFHWRIPA-UHFFFAOYSA-N 0 1 258.768 3.742 20 0 CHADMN C[C@H](F)CCSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000505501380 1122407865 /nfs/dbraw/zinc/40/78/65/1122407865.db2.gz OLAGCTQLVJVPQH-ZETCQYMHSA-N 0 1 287.310 3.590 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCCSCC(C)C)no1 ZINC000366602686 1122408436 /nfs/dbraw/zinc/40/84/36/1122408436.db2.gz HUXYDIVDQDMUGV-HNNXBMFYSA-N 0 1 282.453 3.899 20 0 CHADMN Cc1cnc(CN2CC[C@@](C)(c3ccc(C)cc3)C2)s1 ZINC000434743457 1122408866 /nfs/dbraw/zinc/40/88/66/1122408866.db2.gz FEKFBPFXPCZFRF-QGZVFWFLSA-N 0 1 286.444 3.924 20 0 CHADMN Cc1cc(C(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)c(C)[nH]1 ZINC000434904542 1122420664 /nfs/dbraw/zinc/42/06/64/1122420664.db2.gz ONEJFNPYPQURNZ-WBVHZDCISA-N 0 1 296.414 3.692 20 0 CHADMN FC(F)(F)c1cnccc1NCCCCC1CC1 ZINC001187333464 1122425690 /nfs/dbraw/zinc/42/56/90/1122425690.db2.gz MKCDSYAIWRTCNP-UHFFFAOYSA-N 0 1 258.287 3.515 20 0 CHADMN Cc1cc(F)ccc1CN(C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000434988379 1122426525 /nfs/dbraw/zinc/42/65/25/1122426525.db2.gz RPJPXHHOWDMAER-UHFFFAOYSA-N 0 1 299.349 3.749 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1Cc1cc(C)nc2ccccc12 ZINC000505616694 1122439138 /nfs/dbraw/zinc/43/91/38/1122439138.db2.gz XBOSNKZVHLSAQB-GDBMZVCRSA-N 0 1 284.403 3.543 20 0 CHADMN COc1ccccc1/C=C\CN(C)Cc1occc1C ZINC000430136201 1122440903 /nfs/dbraw/zinc/44/09/03/1122440903.db2.gz HVWZPEJNSYWLQY-VURMDHGXSA-N 0 1 271.360 3.742 20 0 CHADMN Cc1ccccc1-c1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)n[nH]1 ZINC001187963730 1122447158 /nfs/dbraw/zinc/44/71/58/1122447158.db2.gz MTBXMKLGIJNDNX-KBPBESRZSA-N 0 1 297.402 3.788 20 0 CHADMN CC(C)=CCC[C@@H](C)NC(=O)c1cc2[nH]cnc2cc1F ZINC000425313395 1122448491 /nfs/dbraw/zinc/44/84/91/1122448491.db2.gz LRFWSQUKRXDVCQ-LLVKDONJSA-N 0 1 289.354 3.567 20 0 CHADMN CC(C)(C)C(C)(C)CNC(=O)c1cc2[nH]cnc2cc1F ZINC000425320277 1122452758 /nfs/dbraw/zinc/45/27/58/1122452758.db2.gz XLWXBFRKYSMXTG-UHFFFAOYSA-N 0 1 291.370 3.504 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000425339095 1122457474 /nfs/dbraw/zinc/45/74/74/1122457474.db2.gz RADTUNJLACEYBX-UONOGXRCSA-N 0 1 295.373 3.522 20 0 CHADMN CC(C)n1cncc1CN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000425339251 1122457932 /nfs/dbraw/zinc/45/79/32/1122457932.db2.gz RKJFJKAINBHYBE-PBHICJAKSA-N 0 1 269.392 3.657 20 0 CHADMN Cc1[nH]ccc1C(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001188160297 1122459094 /nfs/dbraw/zinc/45/90/94/1122459094.db2.gz VPGHAIZOYCJOGB-UHFFFAOYSA-N 0 1 285.130 3.588 20 0 CHADMN Cc1nccc(N2CCC([C@H]3CCCCO3)CC2)c1Cl ZINC000664484788 1122463405 /nfs/dbraw/zinc/46/34/05/1122463405.db2.gz NURVFSXUKOGHNO-OAHLLOKOSA-N 0 1 294.826 3.829 20 0 CHADMN CCC(CC)CNC(=O)c1ccc(O)c(C(F)(F)F)c1 ZINC001188562496 1122466676 /nfs/dbraw/zinc/46/66/76/1122466676.db2.gz FOVBVWSIFKSROL-UHFFFAOYSA-N 0 1 289.297 3.577 20 0 CHADMN Cc1cccc(F)c1CNCc1cccc2c1NCCC2 ZINC000894308064 1122469378 /nfs/dbraw/zinc/46/93/78/1122469378.db2.gz LFUBZRUNPZBXLQ-UHFFFAOYSA-N 0 1 284.378 3.782 20 0 CHADMN C[C@@H](N[C@H]1CCCN(C)c2ccccc21)c1ccoc1 ZINC000515038836 1122472288 /nfs/dbraw/zinc/47/22/88/1122472288.db2.gz IFLPGLQPOAYHRY-CJNGLKHVSA-N 0 1 270.376 3.902 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H](CC(F)(F)F)C2)c1 ZINC000515163883 1122480547 /nfs/dbraw/zinc/48/05/47/1122480547.db2.gz YUEZJIGLCJCZFV-LLVKDONJSA-N 0 1 275.289 3.908 20 0 CHADMN COc1ccc(-c2nc3ccc(SC)cc3[nH]2)cc1 ZINC000435680816 1122481480 /nfs/dbraw/zinc/48/14/80/1122481480.db2.gz FTWWFOINMGKNQN-UHFFFAOYSA-N 0 1 270.357 3.960 20 0 CHADMN COC(=O)[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C(C)C ZINC000515180199 1122482280 /nfs/dbraw/zinc/48/22/80/1122482280.db2.gz ABBQAYYLIYBFLF-NSHDSACASA-N 0 1 298.795 3.506 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccc3c(n1)CCC3)CCC2 ZINC000515373073 1122494188 /nfs/dbraw/zinc/49/41/88/1122494188.db2.gz AJTFQBUQJCHQQB-IBGZPJMESA-N 0 1 296.389 3.877 20 0 CHADMN Brc1ccc(Nc2ccc3cncn3c2)cc1 ZINC001250327970 1122495959 /nfs/dbraw/zinc/49/59/59/1122495959.db2.gz JGOLZKOBRFWBKU-UHFFFAOYSA-N 0 1 288.148 3.840 20 0 CHADMN CCC[C@@H](NCCOCC1CC1)c1ncccc1Cl ZINC000925000058 1122497369 /nfs/dbraw/zinc/49/73/69/1122497369.db2.gz LOKNSMNSXRWQBB-CQSZACIVSA-N 0 1 282.815 3.592 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@@H](C)C(C)C)n[nH]2)cc1C ZINC000435928394 1122498382 /nfs/dbraw/zinc/49/83/82/1122498382.db2.gz VGNNALFBZMOHAX-AWEZNQCLSA-N 0 1 299.418 3.810 20 0 CHADMN Cc1cnccc1[NH+]=C([O-])Nc1ccccc1C(C)(C)C ZINC001189556129 1122504777 /nfs/dbraw/zinc/50/47/77/1122504777.db2.gz CHQGIUHFTXOOKP-UHFFFAOYSA-N 0 1 283.375 3.753 20 0 CHADMN CCCc1cccc(CNCc2cccc3c2OCCO3)c1 ZINC000775306376 1122513001 /nfs/dbraw/zinc/51/30/01/1122513001.db2.gz XPTFRBIILDCRKB-UHFFFAOYSA-N 0 1 297.398 3.700 20 0 CHADMN C[C@H]1COC2(CCCC2)CN1c1ccnc2ccccc21 ZINC000664530621 1122520820 /nfs/dbraw/zinc/52/08/20/1122520820.db2.gz HZRQJUZNNXKMGJ-AWEZNQCLSA-N 0 1 282.387 3.773 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)CCN1CCc2ccccc21 ZINC001190393242 1122535495 /nfs/dbraw/zinc/53/54/95/1122535495.db2.gz ZIGMNMKGCNROAK-HNNXBMFYSA-N 0 1 298.405 3.881 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccc(C)cc2)sn1 ZINC001190367424 1122536485 /nfs/dbraw/zinc/53/64/85/1122536485.db2.gz ZDGABFJMUIMPGT-ZDUSSCGKSA-N 0 1 260.406 3.953 20 0 CHADMN C[C@@H]1CCN(Cc2ccn(C3CCCC3)n2)[C@H](C)C1 ZINC000425523926 1122541284 /nfs/dbraw/zinc/54/12/84/1122541284.db2.gz PVNOOYQWTLVLBY-ZIAGYGMSSA-N 0 1 261.413 3.619 20 0 CHADMN Cc1cnc(CN2CC(C)(C)C[C@H]2c2ccccc2)o1 ZINC000425535553 1122545883 /nfs/dbraw/zinc/54/58/83/1122545883.db2.gz DKMRVXWLIVXJRF-HNNXBMFYSA-N 0 1 270.376 3.956 20 0 CHADMN CCCCN(C/C=C(\C)C(=O)OC)[C@@H](C)c1ccc(C)o1 ZINC001190589361 1122546689 /nfs/dbraw/zinc/54/66/89/1122546689.db2.gz OBPHDTMJPXLFKA-VOMSXAGXSA-N 0 1 293.407 3.870 20 0 CHADMN CCC1CCN(Cc2cc(O)c(Cl)c(F)c2F)CC1 ZINC001250387026 1122549044 /nfs/dbraw/zinc/54/90/44/1122549044.db2.gz GBCHIUCVPNPJOQ-UHFFFAOYSA-N 0 1 289.753 3.946 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)cn1 ZINC000505822924 1122549757 /nfs/dbraw/zinc/54/97/57/1122549757.db2.gz BAQLNVSOFWBLQF-FYGXRCCRSA-N 0 1 294.398 3.768 20 0 CHADMN COc1ccc(CN2CCC[C@H]2/C=C\c2ccccc2)cn1 ZINC000505822924 1122549759 /nfs/dbraw/zinc/54/97/59/1122549759.db2.gz BAQLNVSOFWBLQF-FYGXRCCRSA-N 0 1 294.398 3.768 20 0 CHADMN COc1ccccc1CN(C)Cc1ccc(C)c(OC)c1 ZINC000436482718 1122552848 /nfs/dbraw/zinc/55/28/48/1122552848.db2.gz IWGCAPWPEFKYSN-UHFFFAOYSA-N 0 1 285.387 3.644 20 0 CHADMN COc1cccc(CN2CCC[C@H]2/C=C/c2ccccc2)n1 ZINC000505832405 1122553777 /nfs/dbraw/zinc/55/37/77/1122553777.db2.gz MYCOABYDRGALJF-HHNLSAEISA-N 0 1 294.398 3.768 20 0 CHADMN CC[C@H](C)[C@H](C)N1CCO[C@H](c2ccccc2F)C1 ZINC001190790702 1122554800 /nfs/dbraw/zinc/55/48/00/1122554800.db2.gz CSPCNWQIPXEYRU-XEZPLFJOSA-N 0 1 265.372 3.634 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CCCC12CCCCC2 ZINC000436533434 1122558402 /nfs/dbraw/zinc/55/84/02/1122558402.db2.gz IIQNJSNYQUVITF-UHFFFAOYSA-N 0 1 293.794 3.985 20 0 CHADMN CS[C@@H]1CCN(Cc2ncc(-c3ccccc3C)o2)C1 ZINC000515988439 1122558812 /nfs/dbraw/zinc/55/88/12/1122558812.db2.gz AZFGNQQMUKOOTG-CYBMUJFWSA-N 0 1 288.416 3.587 20 0 CHADMN COc1c(F)cc(F)cc1CN1CCC[C@@H]2CCC[C@H]21 ZINC001143561572 1122561964 /nfs/dbraw/zinc/56/19/64/1122561964.db2.gz URCQLAIOAMZOTP-XHDPSFHLSA-N 0 1 281.346 3.738 20 0 CHADMN Cc1ccc2nc(-c3ccc(O)c(Cl)c3)[nH]c(=O)c2c1 ZINC000436593727 1122563152 /nfs/dbraw/zinc/56/31/52/1122563152.db2.gz DHMLXMQZHKAIJS-UHFFFAOYSA-N 0 1 286.718 3.670 20 0 CHADMN CCCOC(=O)[C@H](C)N(C)[C@@H](c1ccccc1)C(C)C ZINC001190954686 1122564074 /nfs/dbraw/zinc/56/40/74/1122564074.db2.gz MCRFGAYSHINVOS-GOEBONIOSA-N 0 1 277.408 3.657 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)c2ccccc2C)c1 ZINC000436649462 1122567481 /nfs/dbraw/zinc/56/74/81/1122567481.db2.gz WLKLEIPYEUMINL-UHFFFAOYSA-N 0 1 283.327 3.546 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H]2CCCC2(C)C)c1 ZINC000436653322 1122568254 /nfs/dbraw/zinc/56/82/54/1122568254.db2.gz UERZTKFEMFTHGN-LBPRGKRZSA-N 0 1 289.375 3.750 20 0 CHADMN CCc1ccc([C@@H]2COCCN2C[C@@H](C)C(C)(C)C)o1 ZINC001191121282 1122575524 /nfs/dbraw/zinc/57/55/24/1122575524.db2.gz JNXIDZITLVKNCB-HIFRSBDPSA-N 0 1 279.424 3.898 20 0 CHADMN Cc1ccc2nc(-c3cc(Cl)c(O)cc3Cl)[nH]c2n1 ZINC000436734675 1122575912 /nfs/dbraw/zinc/57/59/12/1122575912.db2.gz BMARRXJHIYKODP-UHFFFAOYSA-N 0 1 294.141 3.946 20 0 CHADMN C[C@H]1c2c(F)cccc2CCN1CCOCc1ccccc1 ZINC001191172913 1122579254 /nfs/dbraw/zinc/57/92/54/1122579254.db2.gz BSUBBUQFYYPUDS-HNNXBMFYSA-N 0 1 299.389 3.962 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1Cc1cnn(-c2ccccc2)n1 ZINC001191133163 1122579655 /nfs/dbraw/zinc/57/96/55/1122579655.db2.gz OAAWDYBFFUIPNS-MAUKXSAKSA-N 0 1 298.434 3.668 20 0 CHADMN COc1ccc(CNC2(CF)CCC2)cc1OCC(C)C ZINC000516290679 1122587057 /nfs/dbraw/zinc/58/70/57/1122587057.db2.gz SWWYWOOMOHQIPG-UHFFFAOYSA-N 0 1 295.398 3.712 20 0 CHADMN CO[C@H]1C[C@@H](N(C)Cc2cnc(C3CCCCC3)s2)C1 ZINC000516348476 1122591312 /nfs/dbraw/zinc/59/13/12/1122591312.db2.gz ZOGHLLIHDOXWDY-OKILXGFUSA-N 0 1 294.464 3.800 20 0 CHADMN Cc1cccc(OCCNC2(c3ccccc3F)CC2)c1 ZINC000775452188 1122592096 /nfs/dbraw/zinc/59/20/96/1122592096.db2.gz ULRJKMHLHOVXJK-UHFFFAOYSA-N 0 1 285.362 3.792 20 0 CHADMN Fc1ccc(F)c2c1CCN(CC[C@@H]1C[C@H]1C1CC1)C2 ZINC001191418086 1122598451 /nfs/dbraw/zinc/59/84/51/1122598451.db2.gz RKTAXVYSCYHYAQ-OCCSQVGLSA-N 0 1 277.358 3.759 20 0 CHADMN CCn1c2cc(F)ccc2nc1-c1cc(F)c(O)c(F)c1 ZINC000436978948 1122599992 /nfs/dbraw/zinc/59/99/92/1122599992.db2.gz JKGDUUFZRAISML-UHFFFAOYSA-N 0 1 292.260 3.846 20 0 CHADMN CCN(C(=O)c1c(O)cccc1F)[C@H]1CCCC[C@H]1C ZINC000436982769 1122600001 /nfs/dbraw/zinc/60/00/01/1122600001.db2.gz YOYIUIOZNCMMLD-YPMHNXCESA-N 0 1 279.355 3.572 20 0 CHADMN CCCCC[C@H]1CCCCN1C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000620566624 1129065338 /nfs/dbraw/zinc/06/53/38/1129065338.db2.gz LZVZWYDDYLTHRK-HOCLYGCPSA-N 0 1 291.439 3.550 20 0 CHADMN C[C@H](N(C)CC(=O)Nc1ccc(Cl)c(F)c1)C1(C)CC1 ZINC001191464851 1122603512 /nfs/dbraw/zinc/60/35/12/1122603512.db2.gz RMFKKRBVCYGCDL-JTQLQIEISA-N 0 1 298.789 3.538 20 0 CHADMN COC(=O)c1ccc([C@H]2CCCCN2Cc2ccco2)cc1 ZINC001203289285 1122606806 /nfs/dbraw/zinc/60/68/06/1122606806.db2.gz AIFOXLBPBCIGMT-QGZVFWFLSA-N 0 1 299.370 3.793 20 0 CHADMN C[C@]1(c2ccccc2)CC[C@H](N2CCO[C@@H]3CCC[C@@H]32)C1 ZINC000437137867 1122615439 /nfs/dbraw/zinc/61/54/39/1122615439.db2.gz OLAIMGPVOLSUDI-OKYOBFRVSA-N 0 1 285.431 3.750 20 0 CHADMN Fc1cccc(CN(CC2CC2)C2CC2)c1Br ZINC000158070850 1122620504 /nfs/dbraw/zinc/62/05/04/1122620504.db2.gz YLPXNXDKRLNHKH-UHFFFAOYSA-N 0 1 298.199 3.963 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cc(C)ccc1C)C2 ZINC001203749632 1122627017 /nfs/dbraw/zinc/62/70/17/1122627017.db2.gz ODFIBPCTZRDJFC-UHFFFAOYSA-N 0 1 267.372 3.828 20 0 CHADMN Fc1ccc2c(c1)CN(C[C@@H]1CCCC3(CCC3)O1)CC2 ZINC001192350029 1122640930 /nfs/dbraw/zinc/64/09/30/1122640930.db2.gz YTSKMEPWZPCLHJ-KRWDZBQOSA-N 0 1 289.394 3.676 20 0 CHADMN c1cc(-c2n[nH]cc2CN2CCc3ccccc3C2)cs1 ZINC000437593282 1122642354 /nfs/dbraw/zinc/64/23/54/1122642354.db2.gz SXMKXWJSIIOCTR-UHFFFAOYSA-N 0 1 295.411 3.697 20 0 CHADMN Cn1c2ccccc2nc1[C@@H]1CCCN1[C@@H]1C=CCCC1 ZINC000437585808 1122644428 /nfs/dbraw/zinc/64/44/28/1122644428.db2.gz AYUQJPZODJSDMB-PBHICJAKSA-N 0 1 281.403 3.819 20 0 CHADMN Cc1ccc(N(C)[C@H]2CCC[N@@H+](C/C=C/Cl)C2)cc1 ZINC001192491027 1122648582 /nfs/dbraw/zinc/64/85/82/1122648582.db2.gz YNFWGURKDVZPEH-WJXUGBSRSA-N 0 1 278.827 3.648 20 0 CHADMN C[C@@H]1CN(CC(=O)c2ccccc2F)[C@H]2CCCC[C@H]12 ZINC001192481463 1122650123 /nfs/dbraw/zinc/65/01/23/1122650123.db2.gz MYKVAIRNMSLODM-IOASZLSFSA-N 0 1 275.367 3.519 20 0 CHADMN CC(C)[N@H+]1CCCC[C@H]1CN[C@H](C(C)(C)C)C(F)(F)F ZINC001192616505 1122654134 /nfs/dbraw/zinc/65/41/34/1122654134.db2.gz KPYTULZJSRVYSP-QWHCGFSZSA-N 0 1 294.405 3.816 20 0 CHADMN CC(C)N1CCCC[C@H]1CN[C@H](C(C)(C)C)C(F)(F)F ZINC001192616505 1122654135 /nfs/dbraw/zinc/65/41/35/1122654135.db2.gz KPYTULZJSRVYSP-QWHCGFSZSA-N 0 1 294.405 3.816 20 0 CHADMN CCc1nc([C@H](C)N[C@H](C)c2cc(Cl)ccc2F)n[nH]1 ZINC001192574168 1122654215 /nfs/dbraw/zinc/65/42/15/1122654215.db2.gz BBWNLUSGSINEHX-BDAKNGLRSA-N 0 1 296.777 3.571 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1cc2c(cccc2F)[nH]1 ZINC000437793774 1122656425 /nfs/dbraw/zinc/65/64/25/1122656425.db2.gz CTIRNCNTPLUKAS-GFCCVEGCSA-N 0 1 283.350 3.895 20 0 CHADMN COc1cc(C)ccc1CNCc1cccc2c1NCCC2 ZINC000894343267 1122656620 /nfs/dbraw/zinc/65/66/20/1122656620.db2.gz AZVWFWUBTDTPLE-UHFFFAOYSA-N 0 1 296.414 3.652 20 0 CHADMN Cc1ccc2cc([C@@H](C)NCc3cccnc3)oc2c1 ZINC000425911140 1122658658 /nfs/dbraw/zinc/65/86/58/1122658658.db2.gz ASCTXXQXMSIYOT-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN COc1cc(C)ccc1CNCc1cc(F)cc(F)c1 ZINC000163211641 1129070324 /nfs/dbraw/zinc/07/03/24/1129070324.db2.gz TUZPPVKPEVQNJK-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccc(C(C)(C)O)cc1 ZINC000775567744 1122673042 /nfs/dbraw/zinc/67/30/42/1122673042.db2.gz FVDQZCUXMMXNKF-AWEZNQCLSA-N 0 1 298.430 3.722 20 0 CHADMN CC(C)CN(Cc1c(Cl)cnn1C)CC(C)(C)C ZINC000438097663 1122676120 /nfs/dbraw/zinc/67/61/20/1122676120.db2.gz MKWXDFZUYSPSQM-UHFFFAOYSA-N 0 1 271.836 3.578 20 0 CHADMN Fc1cccc2[nH]c(CN3CCC(C(F)F)CC3)cc21 ZINC000438120432 1122681619 /nfs/dbraw/zinc/68/16/19/1122681619.db2.gz WEBRRPNBQYMGNN-UHFFFAOYSA-N 0 1 282.309 3.784 20 0 CHADMN CCC[N@@H+](Cc1ccc(C)c(C)c1)[C@@H](CC)C(=O)OCC ZINC001193364070 1122686774 /nfs/dbraw/zinc/68/67/74/1122686774.db2.gz KLVIAIYIZVMEIQ-KRWDZBQOSA-N 0 1 291.435 3.857 20 0 CHADMN CCCN(Cc1ccc(C)c(C)c1)[C@@H](CC)C(=O)OCC ZINC001193364070 1122686776 /nfs/dbraw/zinc/68/67/76/1122686776.db2.gz KLVIAIYIZVMEIQ-KRWDZBQOSA-N 0 1 291.435 3.857 20 0 CHADMN CC(C)CCc1noc([C@H]2CCCN2C2CCCC2)n1 ZINC000438245965 1122688071 /nfs/dbraw/zinc/68/80/71/1122688071.db2.gz XYDPNKOQAPWGCO-CQSZACIVSA-N 0 1 277.412 3.738 20 0 CHADMN Cc1oc2ccccc2c1CN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000438364672 1122694576 /nfs/dbraw/zinc/69/45/76/1122694576.db2.gz OPZHXQOXBGRLCN-RWMBFGLXSA-N 0 1 273.376 3.739 20 0 CHADMN CC(C)Cc1ccccc1CN1CCc2ncsc2C1 ZINC001193516543 1122696247 /nfs/dbraw/zinc/69/62/47/1122696247.db2.gz CZPSCZIMUWNUJN-UHFFFAOYSA-N 0 1 286.444 3.900 20 0 CHADMN CCCN1CC[N@@H+](CCC2CCCCCC2)C(C)(C)C1=O ZINC001193626437 1122702300 /nfs/dbraw/zinc/70/23/00/1122702300.db2.gz JIJDYBUEKGCKCA-UHFFFAOYSA-N 0 1 294.483 3.680 20 0 CHADMN CCCN1CCN(CCC2CCCCCC2)C(C)(C)C1=O ZINC001193626437 1122702303 /nfs/dbraw/zinc/70/23/03/1122702303.db2.gz JIJDYBUEKGCKCA-UHFFFAOYSA-N 0 1 294.483 3.680 20 0 CHADMN CCC(CC)n1ccc(CN2CC[C@@H](C(C)C)C2)n1 ZINC000438499923 1122704193 /nfs/dbraw/zinc/70/41/93/1122704193.db2.gz PQUXSTMBKGCIDC-CQSZACIVSA-N 0 1 263.429 3.722 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000438510662 1122707255 /nfs/dbraw/zinc/70/72/55/1122707255.db2.gz SRCPFGUSRPQRBH-CYBMUJFWSA-N 0 1 294.826 3.565 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@H](C(C)C)C1 ZINC000438510662 1122707256 /nfs/dbraw/zinc/70/72/56/1122707256.db2.gz SRCPFGUSRPQRBH-CYBMUJFWSA-N 0 1 294.826 3.565 20 0 CHADMN C[C@@H]1CCc2nc(CN(C)C3CCCC3)sc2C1 ZINC000506309696 1122716994 /nfs/dbraw/zinc/71/69/94/1122716994.db2.gz OCNZILRKFPGNHG-LLVKDONJSA-N 0 1 264.438 3.642 20 0 CHADMN CCCCCOC(=O)Nc1cnccc1N1CCCCC1 ZINC001193747855 1122717589 /nfs/dbraw/zinc/71/75/89/1122717589.db2.gz MHNRWUNNHGGRJZ-UHFFFAOYSA-N 0 1 291.395 3.811 20 0 CHADMN O=C(C/C=C\c1ccccc1F)Nc1ccc2nc[nH]c2c1 ZINC000426115432 1122718064 /nfs/dbraw/zinc/71/80/64/1122718064.db2.gz BIMDVYQBZJGXOD-HYXAFXHYSA-N 0 1 295.317 3.744 20 0 CHADMN c1ccc(COc2ccccc2CN2CCSCC2)cc1 ZINC000506329021 1122719149 /nfs/dbraw/zinc/71/91/49/1122719149.db2.gz WJZZIHIQTMGXJK-UHFFFAOYSA-N 0 1 299.439 3.814 20 0 CHADMN Cc1ncoc1CN[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000894362623 1122719369 /nfs/dbraw/zinc/71/93/69/1122719369.db2.gz WPZJONJFHFOWSI-MRXNPFEDSA-N 0 1 274.339 3.671 20 0 CHADMN CCCOc1ccc(Br)cc1C[N@@H+](C)CC ZINC000506356244 1122722903 /nfs/dbraw/zinc/72/29/03/1122722903.db2.gz MOTQVOVPULSLMJ-UHFFFAOYSA-N 0 1 286.213 3.690 20 0 CHADMN Cc1nc(C)c(CNCc2ccc(F)cc2Cl)s1 ZINC000136223211 1122727580 /nfs/dbraw/zinc/72/75/80/1122727580.db2.gz KYEDXWGKAOVOTH-UHFFFAOYSA-N 0 1 284.787 3.842 20 0 CHADMN C[C@H](c1ccccc1)N1CCN(Cc2cccc(F)c2)CC1 ZINC001203785624 1122732467 /nfs/dbraw/zinc/73/24/67/1122732467.db2.gz JFRWYRRMEDOYAP-MRXNPFEDSA-N 0 1 298.405 3.705 20 0 CHADMN C[C@@H]1CN(Cc2cccc(C(C)(C)C)c2)C[C@H](C2CC2)O1 ZINC001193976963 1122733399 /nfs/dbraw/zinc/73/33/99/1122733399.db2.gz OHWJMRIMXDWXHR-RDTXWAMCSA-N 0 1 287.447 3.983 20 0 CHADMN c1ccc2c(c1)ccnc2CN[C@@H](c1cccnc1)C1CC1 ZINC000894368289 1122733515 /nfs/dbraw/zinc/73/35/15/1122733515.db2.gz LBYXQDUAFHJYOP-LJQANCHMSA-N 0 1 289.382 3.871 20 0 CHADMN C[C@H]1CN(Cc2cccc(C(C)(C)C)c2)C[C@@H](C2CC2)O1 ZINC001193976962 1122733489 /nfs/dbraw/zinc/73/34/89/1122733489.db2.gz OHWJMRIMXDWXHR-KSSFIOAISA-N 0 1 287.447 3.983 20 0 CHADMN Cc1cc(C)cc(CN2CCO[C@H](C(C)(C)C)C2)c1 ZINC001194010093 1122737823 /nfs/dbraw/zinc/73/78/23/1122737823.db2.gz SLNRNKIRPDTUMW-INIZCTEOSA-N 0 1 261.409 3.550 20 0 CHADMN CCCN(CC/C=C/c1ccccc1)[C@@H](C)C(=O)OCC ZINC001194031528 1122741035 /nfs/dbraw/zinc/74/10/35/1122741035.db2.gz UVMAPZAVRVOCEA-WQMJKPAKSA-N 0 1 289.419 3.754 20 0 CHADMN COc1ccccc1CN1CCSC[C@H]1c1ccccc1 ZINC000506459118 1122746853 /nfs/dbraw/zinc/74/68/53/1122746853.db2.gz GUERTDRWORKCDQ-KRWDZBQOSA-N 0 1 299.439 3.985 20 0 CHADMN Cc1ccoc1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000506466979 1122747637 /nfs/dbraw/zinc/74/76/37/1122747637.db2.gz PMBAYIHXLJWAIJ-UHFFFAOYSA-N 0 1 290.794 3.564 20 0 CHADMN Cc1cccc(CNc2ccc3c(c2)CN(C)C3)c1F ZINC000295409824 1122749683 /nfs/dbraw/zinc/74/96/83/1122749683.db2.gz MYFBRSATXOXVNJ-UHFFFAOYSA-N 0 1 270.351 3.692 20 0 CHADMN CCOc1cc(F)c(CN(C(C)C)C(C)C)c(F)c1 ZINC001143565544 1122759775 /nfs/dbraw/zinc/75/97/75/1122759775.db2.gz YRIVGYAKXLVOLM-UHFFFAOYSA-N 0 1 271.351 3.982 20 0 CHADMN Cc1cnc(CNCCCc2ccc(C(C)C)cc2)o1 ZINC000638601154 1122763195 /nfs/dbraw/zinc/76/31/95/1122763195.db2.gz AEMWHSBCUXINGI-UHFFFAOYSA-N 0 1 272.392 3.829 20 0 CHADMN COC[C@@H]1CN([C@H](C)c2ccc(C(C)C)cc2)C[C@@H](C)O1 ZINC000439278334 1122767234 /nfs/dbraw/zinc/76/72/34/1122767234.db2.gz YRXTXZXLKBHCMX-RKVPGOIHSA-N 0 1 291.435 3.607 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2c3cc(F)ccc3C[C@@H]2C)o1 ZINC000426339210 1122767702 /nfs/dbraw/zinc/76/77/02/1122767702.db2.gz KAPGAFWFMMRKKE-BTDLBPIBSA-N 0 1 288.366 3.708 20 0 CHADMN Cc1cnc(CN2CC[C@@H](c3ccccc3)C[C@@H]2C)nc1 ZINC000439314673 1122769301 /nfs/dbraw/zinc/76/93/01/1122769301.db2.gz HEFKSJPTLGRPSQ-DOTOQJQBSA-N 0 1 281.403 3.553 20 0 CHADMN Oc1cccnc1C[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000518617502 1122773509 /nfs/dbraw/zinc/77/35/09/1122773509.db2.gz RIECYZALVWGLNJ-QGZVFWFLSA-N 0 1 296.414 3.775 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000518617502 1122773515 /nfs/dbraw/zinc/77/35/15/1122773515.db2.gz RIECYZALVWGLNJ-QGZVFWFLSA-N 0 1 296.414 3.775 20 0 CHADMN [O-]c1cccnc1C[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000518617502 1122773518 /nfs/dbraw/zinc/77/35/18/1122773518.db2.gz RIECYZALVWGLNJ-QGZVFWFLSA-N 0 1 296.414 3.775 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@@H]2CCCc3c(O)cccc32)cn1 ZINC000518637875 1122774092 /nfs/dbraw/zinc/77/40/92/1122774092.db2.gz XXJGYIMVXHVWBA-SUMWQHHRSA-N 0 1 299.418 3.898 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)NCC3(C)CC3)n2)cc1F ZINC000518656634 1122777088 /nfs/dbraw/zinc/77/70/88/1122777088.db2.gz SKCYBIDPFKFAAV-NSHDSACASA-N 0 1 289.354 3.635 20 0 CHADMN Oc1cc(-c2cc(F)ccc2F)c(F)c(F)c1F ZINC001250575972 1122779028 /nfs/dbraw/zinc/77/90/28/1122779028.db2.gz SDAZNKOSOSOSCS-UHFFFAOYSA-N 0 1 260.161 3.755 20 0 CHADMN Cc1ccc(C[N@@H+]2CCN(C)C3(CCCCC3)C2)cc1F ZINC001194476687 1122779389 /nfs/dbraw/zinc/77/93/89/1122779389.db2.gz BISWTZSXOGCHOE-UHFFFAOYSA-N 0 1 290.426 3.584 20 0 CHADMN CN(CCn1ccc2cc(Cl)ccc21)Cc1ccccn1 ZINC001194640448 1122787846 /nfs/dbraw/zinc/78/78/46/1122787846.db2.gz AUQRBCZKNODDSI-UHFFFAOYSA-N 0 1 299.805 3.822 20 0 CHADMN CCOc1cccc(Cl)c1CN1CC[C@@H](SC)C1 ZINC001194703901 1122790365 /nfs/dbraw/zinc/79/03/65/1122790365.db2.gz SMZQUXWEXWZYIE-LLVKDONJSA-N 0 1 285.840 3.676 20 0 CHADMN CC[C@@H](C[NH2+]Cc1c(F)ccc([O-])c1F)c1ccccc1 ZINC000509610467 1122790913 /nfs/dbraw/zinc/79/09/13/1122790913.db2.gz WQPRYJCKURZPFV-LBPRGKRZSA-N 0 1 291.341 3.954 20 0 CHADMN CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000297321708 1122793602 /nfs/dbraw/zinc/79/36/02/1122793602.db2.gz ZPVMPHHKGVRMMO-OLZOCXBDSA-N 0 1 298.390 3.627 20 0 CHADMN Fc1ccc(Br)c(CN2CC[C@@H]3CCC[C@@H]32)c1 ZINC000426461484 1122798192 /nfs/dbraw/zinc/79/81/92/1122798192.db2.gz SPQGDCSMUAECNE-HZMBPMFUSA-N 0 1 298.199 3.963 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CC[C@H]3CCC[C@@H]32)s1 ZINC000426494914 1122806634 /nfs/dbraw/zinc/80/66/34/1122806634.db2.gz IADLEVJCBWRXHU-ZJUUUORDSA-N 0 1 290.354 3.845 20 0 CHADMN Cc1ncoc1CNC1(c2cccc(C)c2)CCCC1 ZINC000894388901 1122808113 /nfs/dbraw/zinc/80/81/13/1122808113.db2.gz LLYBSWIVSYUNEM-UHFFFAOYSA-N 0 1 270.376 3.851 20 0 CHADMN CCCC[C@H](C)N(C)Cc1nc(C(C)(C)C)co1 ZINC001194873560 1122815228 /nfs/dbraw/zinc/81/52/28/1122815228.db2.gz IWZIJLCTPUTISF-LBPRGKRZSA-N 0 1 252.402 3.983 20 0 CHADMN Cc1occc1CN[C@@H](C)c1cc2ccccc2[nH]1 ZINC000775620971 1122821927 /nfs/dbraw/zinc/82/19/27/1122821927.db2.gz FRLMMDMEHKUHPV-NSHDSACASA-N 0 1 254.333 3.920 20 0 CHADMN CCC/C=C/c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000664789511 1122829321 /nfs/dbraw/zinc/82/93/21/1122829321.db2.gz BBDVXTNIXGKXDB-VOTSOKGWSA-N 0 1 289.354 3.751 20 0 CHADMN CO[C@@H]1C[C@H](Nc2ccnc3cc(F)ccc32)C1(C)C ZINC000440209204 1122831118 /nfs/dbraw/zinc/83/11/18/1122831118.db2.gz BNCNSMNNZCYLTR-LSDHHAIUSA-N 0 1 274.339 3.599 20 0 CHADMN COC[C@@H](CN1Cc2ccc(Cl)cc2C1)C(C)C ZINC001195023448 1122833112 /nfs/dbraw/zinc/83/31/12/1122833112.db2.gz UBJWQPXAZUEYBN-CQSZACIVSA-N 0 1 267.800 3.574 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@H](C)c2cc3ccccc3[nH]2)n[nH]1 ZINC000775630867 1122835158 /nfs/dbraw/zinc/83/51/58/1122835158.db2.gz UAQPJBCXTIURAV-VXGBXAGGSA-N 0 1 297.406 3.821 20 0 CHADMN Cc1ccccc1CCC[N@H+]1CCc2ccc(O)cc2C1 ZINC000440340260 1122839206 /nfs/dbraw/zinc/83/92/06/1122839206.db2.gz NQFNTMISECIXBH-UHFFFAOYSA-N 0 1 281.399 3.692 20 0 CHADMN CCc1ccc(C2=CCN(Cc3ocnc3C)CC2)cc1 ZINC000894431336 1122852078 /nfs/dbraw/zinc/85/20/78/1122852078.db2.gz OLNWHDXPFWBEMY-UHFFFAOYSA-N 0 1 282.387 3.835 20 0 CHADMN Cc1coc(CN2C[C@@H](C)C[C@H]2c2cccnc2)c1 ZINC000894461203 1122858790 /nfs/dbraw/zinc/85/87/90/1122858790.db2.gz DAOWABBRINHTNL-LRDDRELGSA-N 0 1 256.349 3.566 20 0 CHADMN Cc1nc([C@H](C)NCc2ccc(Cl)c(C)c2Cl)n[nH]1 ZINC000894466447 1122858963 /nfs/dbraw/zinc/85/89/63/1122858963.db2.gz AUNPJKMQYBTOCL-QMMMGPOBSA-N 0 1 299.205 3.579 20 0 CHADMN Cc1ncoc1CN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000894468421 1122859057 /nfs/dbraw/zinc/85/90/57/1122859057.db2.gz WDKKYDFTZBQKLW-GFCCVEGCSA-N 0 1 270.376 3.713 20 0 CHADMN COCc1ccc([C@@H]2CCCN2Cc2cc(C)co2)o1 ZINC000894475788 1122861155 /nfs/dbraw/zinc/86/11/55/1122861155.db2.gz PCVSYWREVOVMSO-HNNXBMFYSA-N 0 1 275.348 3.665 20 0 CHADMN CC[C@@H]1CN(Cc2ccccc2CF)C[C@@H](CC)O1 ZINC001195300840 1122862946 /nfs/dbraw/zinc/86/29/46/1122862946.db2.gz WHTZSETWBMKETK-HZPDHXFCSA-N 0 1 265.372 3.546 20 0 CHADMN CO[C@H](CC(C)C)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664822628 1122863334 /nfs/dbraw/zinc/86/33/34/1122863334.db2.gz WFKCHCVKCNWRFT-HZPDHXFCSA-N 0 1 276.424 3.526 20 0 CHADMN CC1(C)CN(C[C@@H]2CCC(F)(F)C2)[C@@H]1c1cccnc1 ZINC000664824694 1122865615 /nfs/dbraw/zinc/86/56/15/1122865615.db2.gz XGWRFUORQDOQHT-TZMCWYRMSA-N 0 1 280.362 3.900 20 0 CHADMN CCC[C@@H](C)CCCN1CCC(=O)CC12CCC2 ZINC001195394062 1122868877 /nfs/dbraw/zinc/86/88/77/1122868877.db2.gz UQXAKANPJDHPDQ-CQSZACIVSA-N 0 1 251.414 3.790 20 0 CHADMN CCOCCN(C)[C@H]1CCCc2c(OC)ccc(Cl)c21 ZINC001195730277 1122882053 /nfs/dbraw/zinc/88/20/53/1122882053.db2.gz XHLKFKGUYXZXER-AWEZNQCLSA-N 0 1 297.826 3.694 20 0 CHADMN Fc1cccc(N=C2CCC(C(F)(F)F)CC2)n1 ZINC001195835902 1122893281 /nfs/dbraw/zinc/89/32/81/1122893281.db2.gz TUSCZMYDXLPTDB-MRVPVSSYSA-N 0 1 260.234 3.879 20 0 CHADMN CN(CCCc1ccccc1)Cc1nc2ccccc2[nH]1 ZINC000154248767 1129085366 /nfs/dbraw/zinc/08/53/66/1129085366.db2.gz IPRSPZYIFYRTBO-UHFFFAOYSA-N 0 1 279.387 3.628 20 0 CHADMN COc1cc(CNCc2occc2C)ccc1OC(C)C ZINC000266229206 1129085635 /nfs/dbraw/zinc/08/56/35/1129085635.db2.gz TUVFLMIIQNYARK-UHFFFAOYSA-N 0 1 289.375 3.674 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cnc(C(C)C)nc2)c1 ZINC000440476222 1122907048 /nfs/dbraw/zinc/90/70/48/1122907048.db2.gz FZBOJBGGRCBQQK-UHFFFAOYSA-N 0 1 283.419 3.849 20 0 CHADMN CC(C)[C@H]1[N@@H+](Cc2nccn2C2CC2)CC12CCCC2 ZINC000894793184 1122907388 /nfs/dbraw/zinc/90/73/88/1122907388.db2.gz BFCMQHAFTQKWHK-MRXNPFEDSA-N 0 1 273.424 3.619 20 0 CHADMN CC(C)[C@H]1N(Cc2nccn2C2CC2)CC12CCCC2 ZINC000894793184 1122907393 /nfs/dbraw/zinc/90/73/93/1122907393.db2.gz BFCMQHAFTQKWHK-MRXNPFEDSA-N 0 1 273.424 3.619 20 0 CHADMN CCc1onc(C)c1CN1CC(Cc2ccccc2C)C1 ZINC000894820996 1122909112 /nfs/dbraw/zinc/90/91/12/1122909112.db2.gz VIAUJPNUYORTLE-UHFFFAOYSA-N 0 1 284.403 3.528 20 0 CHADMN Cc1ccc([C@H](CC(=O)[O-])[NH2+]Cc2ccsc2Cl)o1 ZINC000426790152 1122915739 /nfs/dbraw/zinc/91/57/39/1122915739.db2.gz AYCRJHSKVSBVOC-JTQLQIEISA-N 0 1 299.779 3.609 20 0 CHADMN CCC[C@@H](C)N(C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000506994694 1122918145 /nfs/dbraw/zinc/91/81/45/1122918145.db2.gz LJIUVLMARUFMMQ-NWDGAFQWSA-N 0 1 266.454 3.888 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccc(O)c2)cc1Cl ZINC000154409659 1129086750 /nfs/dbraw/zinc/08/67/50/1129086750.db2.gz MXNXDHATWMJMEJ-LLVKDONJSA-N 0 1 291.778 3.905 20 0 CHADMN CC(C)N(Cc1cccs1)Cc1cccc2c1OCO2 ZINC000507019505 1122919340 /nfs/dbraw/zinc/91/93/40/1122919340.db2.gz GMLLMHDKIRBZAL-UHFFFAOYSA-N 0 1 289.400 3.887 20 0 CHADMN COc1nc(C)cc(C)c1CN(C)Cc1c(C)cccc1C ZINC001196450759 1122923823 /nfs/dbraw/zinc/92/38/23/1122923823.db2.gz LWKMSRSEPMVQRK-UHFFFAOYSA-N 0 1 298.430 3.956 20 0 CHADMN CCN(Cc1cnn(C(C)(C)C)c1)Cc1ccccc1C ZINC000507133303 1122931193 /nfs/dbraw/zinc/93/11/93/1122931193.db2.gz WBLGLHRHBPJMQM-UHFFFAOYSA-N 0 1 285.435 3.969 20 0 CHADMN FC(F)(F)[C@@H]1CC=C(Nc2ccc3nccn3c2)CC1 ZINC001196767852 1122932292 /nfs/dbraw/zinc/93/22/92/1122932292.db2.gz OQRFNCLCPZNVOR-SNVBAGLBSA-N 0 1 281.281 3.993 20 0 CHADMN Cc1n[nH]cc1C[N@@H+](C)CCCc1cccc2ccccc21 ZINC001196757769 1122933017 /nfs/dbraw/zinc/93/30/17/1122933017.db2.gz ARPRSTUOLSWMEC-UHFFFAOYSA-N 0 1 293.414 3.936 20 0 CHADMN CC(C)c1cccc(CN2CCO[C@H](C(F)F)CC2)c1 ZINC001196806735 1122933705 /nfs/dbraw/zinc/93/37/05/1122933705.db2.gz DBAQYEUNVMMQOP-HNNXBMFYSA-N 0 1 283.362 3.666 20 0 CHADMN CC(C)c1cccc(CN2CCO[C@@H](C(F)F)CC2)c1 ZINC001196806736 1122933793 /nfs/dbraw/zinc/93/37/93/1122933793.db2.gz DBAQYEUNVMMQOP-OAHLLOKOSA-N 0 1 283.362 3.666 20 0 CHADMN FC(F)(F)[C@H]1CC=C(Nc2cc3ccccn3n2)CC1 ZINC001196888523 1122937312 /nfs/dbraw/zinc/93/73/12/1122937312.db2.gz HLAKJEVIEGNXHQ-JTQLQIEISA-N 0 1 281.281 3.993 20 0 CHADMN C[C@@H](c1ccncc1)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000183710888 1129087858 /nfs/dbraw/zinc/08/78/58/1129087858.db2.gz MHJGINIFBTXMJX-NSHDSACASA-N 0 1 276.767 3.634 20 0 CHADMN C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000183710888 1129087862 /nfs/dbraw/zinc/08/78/62/1129087862.db2.gz MHJGINIFBTXMJX-NSHDSACASA-N 0 1 276.767 3.634 20 0 CHADMN CCN(Cc1ccc(C)cc1Br)C1CC1 ZINC000507221272 1122938655 /nfs/dbraw/zinc/93/86/55/1122938655.db2.gz HRWYYPIAXYIOFS-UHFFFAOYSA-N 0 1 268.198 3.742 20 0 CHADMN CCN(Cc1cc(Cl)c(OC)cc1Cl)C1CC1 ZINC000507229839 1122940275 /nfs/dbraw/zinc/94/02/75/1122940275.db2.gz JFTBLJVUSIUAHI-UHFFFAOYSA-N 0 1 274.191 3.986 20 0 CHADMN CCn1nccc1CN(C)[C@@H](C)c1ccc(C)cc1C ZINC000507233670 1122942988 /nfs/dbraw/zinc/94/29/88/1122942988.db2.gz QPIWFGCOMCVAKI-HNNXBMFYSA-N 0 1 271.408 3.713 20 0 CHADMN Oc1ccc(F)c(CN2CC[C@@H](c3ccccc3)C2)c1F ZINC000507264313 1122944842 /nfs/dbraw/zinc/94/48/42/1122944842.db2.gz DXHAQGPFZFQJNC-CYBMUJFWSA-N 0 1 289.325 3.660 20 0 CHADMN Cc1c(Cl)ccc2c1CN(C[C@H]1CC(C)(C)CO1)CC2 ZINC001197176840 1122947469 /nfs/dbraw/zinc/94/74/69/1122947469.db2.gz FCVJSKWVXYMLOW-CQSZACIVSA-N 0 1 293.838 3.822 20 0 CHADMN CC(C)(C)OC(=O)[C@@H]1CCCCN1CCC1CCCC1 ZINC001197177866 1122947575 /nfs/dbraw/zinc/94/75/75/1122947575.db2.gz XERHBCXEUYUJEA-HNNXBMFYSA-N 0 1 281.440 3.763 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C3CCC3)cc2)[C@@H](C)CO1 ZINC000507371326 1122951193 /nfs/dbraw/zinc/95/11/93/1122951193.db2.gz ZQRYUPPPDFLYDX-UONOGXRCSA-N 0 1 259.393 3.563 20 0 CHADMN COc1cc(CN(C)Cc2ccsc2C)cc(OC)c1 ZINC000507370509 1122951363 /nfs/dbraw/zinc/95/13/63/1122951363.db2.gz WWNIZYAAJXXNDC-UHFFFAOYSA-N 0 1 291.416 3.706 20 0 CHADMN CCCCC[C@@H](C)CCC(=O)N1CCCC2(CN(C)C2)C1 ZINC001273741144 1122951468 /nfs/dbraw/zinc/95/14/68/1122951468.db2.gz CHPBFBBZZJDACH-MRXNPFEDSA-N 0 1 294.483 3.537 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000427209040 1122952165 /nfs/dbraw/zinc/95/21/65/1122952165.db2.gz LDZGYPLOHPWKIL-XJKSGUPXSA-N 0 1 299.418 3.912 20 0 CHADMN Cc1[nH]nc2ncc(CN(C)[C@H](C)c3cccs3)cc12 ZINC000507433061 1122954820 /nfs/dbraw/zinc/95/48/20/1122954820.db2.gz KAFTVXMVGMQITB-LLVKDONJSA-N 0 1 286.404 3.521 20 0 CHADMN COc1ccc(C[N@H+]2Cc3ccccc3C(C)(C)C2)cc1O ZINC000353681296 1122955300 /nfs/dbraw/zinc/95/53/00/1122955300.db2.gz MFAKQWBJZUHEMZ-UHFFFAOYSA-N 0 1 297.398 3.694 20 0 CHADMN COc1ccc(CN2Cc3ccccc3C(C)(C)C2)cc1O ZINC000353681296 1122955306 /nfs/dbraw/zinc/95/53/06/1122955306.db2.gz MFAKQWBJZUHEMZ-UHFFFAOYSA-N 0 1 297.398 3.694 20 0 CHADMN Fc1cc2c(cc1F)CN(CCc1cccs1)CC2 ZINC001197341376 1122955345 /nfs/dbraw/zinc/95/53/45/1122955345.db2.gz IFOIVWVNOVTTPM-UHFFFAOYSA-N 0 1 279.355 3.627 20 0 CHADMN C[C@@H](c1cccc(Br)c1)N1CCC(F)CC1 ZINC001197336270 1122955470 /nfs/dbraw/zinc/95/54/70/1122955470.db2.gz XIMRMRVXEUFPGI-JTQLQIEISA-N 0 1 286.188 3.944 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1cccc(C)c1 ZINC000507487914 1122960495 /nfs/dbraw/zinc/96/04/95/1122960495.db2.gz SGYMGEZNYOSQNA-CQSZACIVSA-N 0 1 254.377 3.803 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccccc1C ZINC000507506149 1122961095 /nfs/dbraw/zinc/96/10/95/1122961095.db2.gz GMSOFGNQVOGLMR-CQSZACIVSA-N 0 1 254.377 3.803 20 0 CHADMN CSCc1cnc(C[N@@H+](CC(C)C)C(C)C)s1 ZINC000507506483 1122961296 /nfs/dbraw/zinc/96/12/96/1122961296.db2.gz NEMIZPCDYXGZDQ-UHFFFAOYSA-N 0 1 272.483 3.873 20 0 CHADMN CSCc1cnc(CN(CC(C)C)C(C)C)s1 ZINC000507506483 1122961299 /nfs/dbraw/zinc/96/12/99/1122961299.db2.gz NEMIZPCDYXGZDQ-UHFFFAOYSA-N 0 1 272.483 3.873 20 0 CHADMN Cc1nc([C@H]2CCCN2CCCc2ccsc2)[nH]c1C ZINC001197710503 1122967574 /nfs/dbraw/zinc/96/75/74/1122967574.db2.gz KDHOKEUUDOHQSP-OAHLLOKOSA-N 0 1 289.448 3.858 20 0 CHADMN C[C@@H](N[C@H]1CCc2c1cccc2F)c1ccncc1F ZINC000334228641 1122973797 /nfs/dbraw/zinc/97/37/97/1122973797.db2.gz OQUOIKZIPOFQLF-HWPZZCPQSA-N 0 1 274.314 3.698 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc(C)c2C)nc(C)n1 ZINC000342813978 1122975652 /nfs/dbraw/zinc/97/56/52/1122975652.db2.gz LJDNSTYQHNAOHI-AWEZNQCLSA-N 0 1 269.392 3.561 20 0 CHADMN CCCc1ccc(CN2CCOC[C@H]2CC2CC2)cc1 ZINC001198050828 1122978894 /nfs/dbraw/zinc/97/88/94/1122978894.db2.gz LWCBORGMZWFHRV-GOSISDBHSA-N 0 1 273.420 3.640 20 0 CHADMN Cc1noc([C@H]2CCCCN2C[C@H]2CCCC(F)(F)C2)n1 ZINC000334265899 1122979715 /nfs/dbraw/zinc/97/97/15/1122979715.db2.gz MXJCHOCRDOIUQW-QWHCGFSZSA-N 0 1 299.365 3.731 20 0 CHADMN CC(=O)N1CC[C@H](N[C@H](C)c2ccc(C)o2)c2ccccc21 ZINC000334315061 1122985833 /nfs/dbraw/zinc/98/58/33/1122985833.db2.gz NAIUNPHFKAEEJW-CJNGLKHVSA-N 0 1 298.386 3.737 20 0 CHADMN c1ccc2cc(CN3CCO[C@@H]4CCC[C@@H]43)ccc2c1 ZINC000507698812 1122988343 /nfs/dbraw/zinc/98/83/43/1122988343.db2.gz AKGMEOKQXHNOPO-ZWKOTPCHSA-N 0 1 267.372 3.593 20 0 CHADMN CC(C)N(Cc1cc2ccnc(Cl)c2s1)C1COC1 ZINC000894869029 1123001822 /nfs/dbraw/zinc/00/18/22/1123001822.db2.gz MEMIPLNGJXGJEW-UHFFFAOYSA-N 0 1 296.823 3.559 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1ccc(F)cc1)CC2 ZINC001203912316 1123003086 /nfs/dbraw/zinc/00/30/86/1123003086.db2.gz RMXHHCRNWFOVCS-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN CS[C@@H]1CCN(Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894879605 1123008194 /nfs/dbraw/zinc/00/81/94/1123008194.db2.gz CRQSGTCLYMZIAS-SNVBAGLBSA-N 0 1 298.864 3.887 20 0 CHADMN CC(C)n1ccc(CN2CCC[C@@H](C3CCCC3)C2)n1 ZINC001198705361 1123009307 /nfs/dbraw/zinc/00/93/07/1123009307.db2.gz IRZRENBJCQMHSF-MRXNPFEDSA-N 0 1 275.440 3.866 20 0 CHADMN CC[C@H](F)CN1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000440526015 1123011120 /nfs/dbraw/zinc/01/11/20/1123011120.db2.gz WMIYQJLHGXOFAP-DYEKYZERSA-N 0 1 265.372 3.751 20 0 CHADMN CCc1ccc2c(c1)CCN([C@@H](C)c1ccncc1)C2 ZINC001198820129 1123012561 /nfs/dbraw/zinc/01/25/61/1123012561.db2.gz ISUJLGAQBWTCEL-AWEZNQCLSA-N 0 1 266.388 3.763 20 0 CHADMN NC1(c2noc(/C=C\c3ccccc3Cl)n2)CCCC1 ZINC000519653629 1123013383 /nfs/dbraw/zinc/01/33/83/1123013383.db2.gz OVCINCGKRFKKLK-FPLPWBNLSA-N 0 1 289.766 3.621 20 0 CHADMN COc1cccc(CNCc2ccc(OC)cc2Cl)c1 ZINC001198901010 1123015100 /nfs/dbraw/zinc/01/51/00/1123015100.db2.gz NVGKPCKVQOREJH-UHFFFAOYSA-N 0 1 291.778 3.647 20 0 CHADMN c1nn(-c2ccccc2)nc1CNCCCC1CCCCC1 ZINC001199246353 1123024367 /nfs/dbraw/zinc/02/43/67/1123024367.db2.gz DMKCTMSYYZOPFI-UHFFFAOYSA-N 0 1 298.434 3.717 20 0 CHADMN Cc1cccc(CN(C)CCSc2ccc(F)cc2)n1 ZINC000440658024 1123025221 /nfs/dbraw/zinc/02/52/21/1123025221.db2.gz BQAFXKUBTACHCN-UHFFFAOYSA-N 0 1 290.407 3.753 20 0 CHADMN Cc1nccc(N(C)Cc2cnc(C(C)C)nc2)c1Cl ZINC000440666395 1123026830 /nfs/dbraw/zinc/02/68/30/1123026830.db2.gz BBQVDDFXFBWACY-UHFFFAOYSA-N 0 1 290.798 3.593 20 0 CHADMN Cc1cc(F)c(CNCCO[C@H]2CCCC[C@H]2C)c(F)c1 ZINC001199277260 1123028176 /nfs/dbraw/zinc/02/81/76/1123028176.db2.gz YQQYAEBIKFHCKE-DYVFJYSZSA-N 0 1 297.389 3.958 20 0 CHADMN CCc1csc([C@@H]2CCCN(C[C@H](F)CC)C2)n1 ZINC000440700422 1123029608 /nfs/dbraw/zinc/02/96/08/1123029608.db2.gz XIAYHQXEGOXOLK-VXGBXAGGSA-N 0 1 270.417 3.633 20 0 CHADMN C[C@@H]1CCN(Cc2ncc(C3CC3)o2)CC12CCC2 ZINC000334468171 1123032285 /nfs/dbraw/zinc/03/22/85/1123032285.db2.gz XOUKXMKXMDNXPP-GFCCVEGCSA-N 0 1 260.381 3.564 20 0 CHADMN C[C@@H]1C[C@@H](C)N1Cc1cnc(CCc2ccccc2)s1 ZINC000519863962 1123034382 /nfs/dbraw/zinc/03/43/82/1123034382.db2.gz AOGUIEDKUFQJIV-ZIAGYGMSSA-N 0 1 286.444 3.911 20 0 CHADMN CC[C@@H](F)CN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000440781776 1123038743 /nfs/dbraw/zinc/03/87/43/1123038743.db2.gz IVYISBHKZGXQNY-NWDGAFQWSA-N 0 1 294.345 3.894 20 0 CHADMN CC[C@@H](F)CN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000440785981 1123040271 /nfs/dbraw/zinc/04/02/71/1123040271.db2.gz MCFLTTPVLTUSCV-QWHCGFSZSA-N 0 1 296.455 3.949 20 0 CHADMN CC[C@H](F)CN[C@@H](CC(=O)OC(C)C)c1ccc(C)cc1 ZINC000440786778 1123040561 /nfs/dbraw/zinc/04/05/61/1123040561.db2.gz TXCCGDZCRWKWSF-HOTGVXAUSA-N 0 1 295.398 3.716 20 0 CHADMN Cc1cc(F)cc(CN2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1 ZINC001143580455 1123065189 /nfs/dbraw/zinc/06/51/89/1123065189.db2.gz KOFAKGDGVYQWFS-DGCLKSJQSA-N 0 1 293.279 3.714 20 0 CHADMN CCC[C@H](C)N(C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000441180553 1123065267 /nfs/dbraw/zinc/06/52/67/1123065267.db2.gz RKCAGCKAZLCUNL-ZDUSSCGKSA-N 0 1 275.371 3.632 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccc3cc[nH]c3c1)CO2 ZINC001201036177 1123072083 /nfs/dbraw/zinc/07/20/83/1123072083.db2.gz QIXMUCYIACCWKJ-KRWDZBQOSA-N 0 1 278.355 3.700 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccc3cc[nH]c3c1)CO2 ZINC001201036187 1123072133 /nfs/dbraw/zinc/07/21/33/1123072133.db2.gz QIXMUCYIACCWKJ-QGZVFWFLSA-N 0 1 278.355 3.700 20 0 CHADMN FC(F)(F)c1cccc(N=C2CCSCC2)n1 ZINC001201327722 1123087080 /nfs/dbraw/zinc/08/70/80/1123087080.db2.gz VJGMZIOECSUVLF-UHFFFAOYSA-N 0 1 260.284 3.533 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(C)nc2)cc1Cl ZINC000112530401 1123091470 /nfs/dbraw/zinc/09/14/70/1123091470.db2.gz GKHQSGMJZPMYQW-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1n[nH]c(CN2CCC[C@@H]2c2ccc(F)cc2C)c1C ZINC000894940445 1123091942 /nfs/dbraw/zinc/09/19/42/1123091942.db2.gz IBNBKELJWZMKDC-QGZVFWFLSA-N 0 1 287.382 3.811 20 0 CHADMN CC(C)(C)CN(CCCO)Cc1c(F)cccc1Cl ZINC000112567487 1123092677 /nfs/dbraw/zinc/09/26/77/1123092677.db2.gz TUBTVPKLJIXHQR-UHFFFAOYSA-N 0 1 287.806 3.710 20 0 CHADMN C[C@@H](c1nc(-c2ccccc2)no1)N1CCCC(C)(C)C1 ZINC000112731819 1123096336 /nfs/dbraw/zinc/09/63/36/1123096336.db2.gz QDBFYGKXVDLATL-ZDUSSCGKSA-N 0 1 285.391 3.920 20 0 CHADMN Cc1nc2c(n1C[C@@H]1CCC3(CCCC3)O1)CCCC2 ZINC000229439033 1123098335 /nfs/dbraw/zinc/09/83/35/1123098335.db2.gz RSKJUWQXKCDSRI-AWEZNQCLSA-N 0 1 274.408 3.562 20 0 CHADMN Cc1cc(CN[C@H]2CCc3c2cccc3O)cnc1Cl ZINC000776173982 1123102662 /nfs/dbraw/zinc/10/26/62/1123102662.db2.gz UIAYUACHLZTSIM-AWEZNQCLSA-N 0 1 288.778 3.526 20 0 CHADMN c1coc(CN(Cc2ccccc2)C[C@@H]2CCC=CO2)c1 ZINC000193620300 1129099139 /nfs/dbraw/zinc/09/91/39/1129099139.db2.gz MEEZINBEWLZBFX-KRWDZBQOSA-N 0 1 283.371 3.975 20 0 CHADMN CC(C)=CCC[C@H](C)CN1CCc2oc(C)nc2C1 ZINC001201499560 1123112135 /nfs/dbraw/zinc/11/21/35/1123112135.db2.gz LTIVGTBJWCCGDU-ZDUSSCGKSA-N 0 1 262.397 3.724 20 0 CHADMN CC[C@H](C)CN(Cc1cccnc1)Cc1ccccn1 ZINC001201511623 1123113924 /nfs/dbraw/zinc/11/39/24/1123113924.db2.gz QWNGHHQDQXBVPT-HNNXBMFYSA-N 0 1 269.392 3.525 20 0 CHADMN CC(C)CN1Cc2ccc(Br)cc2C[C@H]1C ZINC001201482437 1123114823 /nfs/dbraw/zinc/11/48/23/1123114823.db2.gz KRICTVYUEIMJCR-LLVKDONJSA-N 0 1 282.225 3.852 20 0 CHADMN CCOc1cc(Cl)ccc1CN[C@@H](C)c1ccncc1 ZINC000155172194 1129099786 /nfs/dbraw/zinc/09/97/86/1129099786.db2.gz BYKYKWQSGSTUNE-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN COc1ccc(Cl)cc1CN1CCCC[C@@H]1CC(N)=O ZINC000330448727 1123118439 /nfs/dbraw/zinc/11/84/39/1123118439.db2.gz IWGYXKYTXBEYJL-CYBMUJFWSA-N 0 1 296.798 3.628 20 0 CHADMN COc1ccc(Cl)cc1CN1CCCC[C@H]1CC(N)=O ZINC000330448732 1123118907 /nfs/dbraw/zinc/11/89/07/1123118907.db2.gz IWGYXKYTXBEYJL-ZDUSSCGKSA-N 0 1 296.798 3.628 20 0 CHADMN Cc1cc(C)c(Cl)c(Nc2ccnc(CO)c2)c1 ZINC001201596892 1123123061 /nfs/dbraw/zinc/12/30/61/1123123061.db2.gz MFBJTSQPZUGWJQ-UHFFFAOYSA-N 0 1 262.740 3.588 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@H]1CCCc2c1cnn2C ZINC000268834072 1129100229 /nfs/dbraw/zinc/10/02/29/1129100229.db2.gz RNNWQLBMABLKPC-BBRMVZONSA-N 0 1 299.418 3.547 20 0 CHADMN CCCC[C@H](CC)CN1CCO[C@@H](c2ccccn2)C1 ZINC001201568136 1123125793 /nfs/dbraw/zinc/12/57/93/1123125793.db2.gz OEHBLEKBBXDRTC-DOTOQJQBSA-N 0 1 276.424 3.671 20 0 CHADMN Cc1sc(NC(=O)CN2CCC[C@@H](C)[C@H]2C)c(C)c1C ZINC000441453773 1123129408 /nfs/dbraw/zinc/12/94/08/1123129408.db2.gz ZOIVVMHUHIXZGM-ZWNOBZJWSA-N 0 1 294.464 3.732 20 0 CHADMN C[C@@]1(c2ccc(F)cc2)CN(CCc2ccccc2)CCO1 ZINC001201603794 1123130966 /nfs/dbraw/zinc/13/09/66/1123130966.db2.gz RYVHITDQUPVHRB-IBGZPJMESA-N 0 1 299.389 3.616 20 0 CHADMN CCCN1CCc2c(Br)cccc2[C@H]1C ZINC000509462900 1123131486 /nfs/dbraw/zinc/13/14/86/1123131486.db2.gz JDVSSFKGIIAZQI-SNVBAGLBSA-N 0 1 268.198 3.778 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc3c2OCCO3)s1 ZINC000049159842 1123133249 /nfs/dbraw/zinc/13/32/49/1123133249.db2.gz MBPXKACQSYLERM-GFCCVEGCSA-N 0 1 289.400 3.679 20 0 CHADMN C[C@@H]1CCCC[C@@H]1CNc1cnccc1-n1cccn1 ZINC001201674269 1123133384 /nfs/dbraw/zinc/13/33/84/1123133384.db2.gz AXUGJGLHYQHLDU-ZIAGYGMSSA-N 0 1 270.380 3.506 20 0 CHADMN c1nc2c([nH]1)C1(CCC1)N(Cc1coc3ccccc13)CC2 ZINC000895068257 1123144468 /nfs/dbraw/zinc/14/44/68/1123144468.db2.gz PRFQNRLGDAFZGF-UHFFFAOYSA-N 0 1 293.370 3.593 20 0 CHADMN CCCC[C@@H](O)CN1CCC[C@@H]1c1cc(F)ccc1F ZINC001252089846 1123151323 /nfs/dbraw/zinc/15/13/23/1123151323.db2.gz SPTQXXQLKUQQHF-CZUORRHYSA-N 0 1 283.362 3.653 20 0 CHADMN CCC[C@H]1CCCCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000283068413 1123162505 /nfs/dbraw/zinc/16/25/05/1123162505.db2.gz KIEVNRUUDFMAFO-ZDUSSCGKSA-N 0 1 285.391 3.666 20 0 CHADMN C[C@H](N(C)C(=O)c1cc(-c2cccs2)[nH]n1)C(C)(C)C ZINC000520508307 1123165879 /nfs/dbraw/zinc/16/58/79/1123165879.db2.gz PASNENOKIRFPMC-JTQLQIEISA-N 0 1 291.420 3.645 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1coc(-c2c(F)cccc2F)n1 ZINC000155515744 1129103026 /nfs/dbraw/zinc/10/30/26/1129103026.db2.gz BMSKTTJVSMRUII-PHIMTYICSA-N 0 1 292.329 3.993 20 0 CHADMN CCC[C@@H](C)N(C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000487394267 1123168507 /nfs/dbraw/zinc/16/85/07/1123168507.db2.gz KDBCDDLPFNTLEF-SNVBAGLBSA-N 0 1 295.333 3.635 20 0 CHADMN CCC[C@H]1CCCCN1CC(=O)Nc1c(C)cccc1C ZINC000542630377 1129105850 /nfs/dbraw/zinc/10/58/50/1129105850.db2.gz CFPWUTSPNHGURN-INIZCTEOSA-N 0 1 288.435 3.897 20 0 CHADMN Cc1noc([C@@H](C)N[C@H](C)[C@@H]2CCC(C)=C(C)C2)n1 ZINC000639098568 1123178179 /nfs/dbraw/zinc/17/81/79/1123178179.db2.gz QIYPKHVSAVQSRX-YRGRVCCFSA-N 0 1 263.385 3.554 20 0 CHADMN c1sc2ccccc2c1CN1CCOC2(CCC2)C1 ZINC000154318422 1123186360 /nfs/dbraw/zinc/18/63/60/1123186360.db2.gz BHUBSXMPUMQRLM-UHFFFAOYSA-N 0 1 273.401 3.656 20 0 CHADMN Cc1cc2ccccc2c(N[C@H]2CCO[C@H](C)C2)n1 ZINC001161691442 1123190548 /nfs/dbraw/zinc/19/05/48/1123190548.db2.gz DUPZQNYVTXHBJS-OCCSQVGLSA-N 0 1 256.349 3.523 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@@H]2COCc2ccccc2)c1 ZINC001143586783 1123191022 /nfs/dbraw/zinc/19/10/22/1123191022.db2.gz WNYBCPGZMUOKGV-LJQANCHMSA-N 0 1 299.389 3.925 20 0 CHADMN Cc1ccc(CN(Cc2cnc(F)cc2C)CC2CC2)cn1 ZINC000895104617 1123204660 /nfs/dbraw/zinc/20/46/60/1123204660.db2.gz LABXVCWKWOHDMZ-UHFFFAOYSA-N 0 1 299.393 3.645 20 0 CHADMN Cc1cc(CN2CC(C)(CC(F)F)C2)c2c(n1)CCCC2 ZINC000895104989 1123205626 /nfs/dbraw/zinc/20/56/26/1123205626.db2.gz NHKGOJOEYWSSBC-UHFFFAOYSA-N 0 1 294.389 3.746 20 0 CHADMN COc1ccc(CNC2(c3cccc(C)c3)CCC2)o1 ZINC000895104257 1123205663 /nfs/dbraw/zinc/20/56/63/1123205663.db2.gz HBCILACYCIHCRT-UHFFFAOYSA-N 0 1 271.360 3.766 20 0 CHADMN CCn1cc(CN[C@@H](c2cc(F)ccc2F)C(C)C)cn1 ZINC000353957179 1123205827 /nfs/dbraw/zinc/20/58/27/1123205827.db2.gz NWLNBLPZYMOZLY-MRXNPFEDSA-N 0 1 293.361 3.668 20 0 CHADMN FC(F)(F)CCC[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001202442664 1123208148 /nfs/dbraw/zinc/20/81/48/1123208148.db2.gz MHEWGYJOIIFBHX-ZDUSSCGKSA-N 0 1 279.346 3.610 20 0 CHADMN FC(F)(F)CCCN1CCOC[C@H]1C1CCCCC1 ZINC001202442664 1123208149 /nfs/dbraw/zinc/20/81/49/1123208149.db2.gz MHEWGYJOIIFBHX-ZDUSSCGKSA-N 0 1 279.346 3.610 20 0 CHADMN FC(F)(F)c1ccc(CNc2cccc3[nH]nnc32)cc1 ZINC001202467138 1123211555 /nfs/dbraw/zinc/21/15/55/1123211555.db2.gz VDJZDXUPKQADLI-UHFFFAOYSA-N 0 1 292.264 3.589 20 0 CHADMN Fc1ccc(CNCc2nccc3ccccc32)cc1 ZINC000067450950 1123217210 /nfs/dbraw/zinc/21/72/10/1123217210.db2.gz NVCSHRLGBCRQKW-UHFFFAOYSA-N 0 1 266.319 3.664 20 0 CHADMN C[C@H](Sc1c[nH]nn1)c1ccc(Cl)cc1Cl ZINC000155874585 1129106640 /nfs/dbraw/zinc/10/66/40/1129106640.db2.gz JLVUHEJLWUVXAD-LURJTMIESA-N 0 1 274.176 3.965 20 0 CHADMN C[C@H](NCc1c(F)cc(F)c(F)c1F)C1(C)CC1 ZINC000430735183 1123220876 /nfs/dbraw/zinc/22/08/76/1123220876.db2.gz PGPNBMRRJLHZCW-ZETCQYMHSA-N 0 1 261.262 3.521 20 0 CHADMN Cc1ccc(N2CCN([C@H](C)c3cccnc3)CC2)cc1C ZINC000071711646 1129106943 /nfs/dbraw/zinc/10/69/43/1129106943.db2.gz WQDXFBNQMNLFKT-QGZVFWFLSA-N 0 1 295.430 3.582 20 0 CHADMN Brc1csc([C@@H](N[C@@H]2C=CCC2)C2CC2)n1 ZINC000850511050 1123277962 /nfs/dbraw/zinc/27/79/62/1123277962.db2.gz ZTVAUBCQGTXXMR-KOLCDFICSA-N 0 1 299.237 3.665 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])sc2C)CC1 ZINC000155986851 1129108341 /nfs/dbraw/zinc/10/83/41/1129108341.db2.gz NIKWQEIDBYBBJB-GFCCVEGCSA-N 0 1 281.421 3.767 20 0 CHADMN COc1cncc(CNCc2ccc(C(C)(C)C)cc2)c1 ZINC000850098075 1123243301 /nfs/dbraw/zinc/24/33/01/1123243301.db2.gz QLDBVBPHBPPHBG-UHFFFAOYSA-N 0 1 284.403 3.678 20 0 CHADMN CCn1nccc1CN1CCC[C@H]1/C=C/c1ccccc1 ZINC000507881702 1123244894 /nfs/dbraw/zinc/24/48/94/1123244894.db2.gz HSGSBQIUGWEQAA-DVQDXYAYSA-N 0 1 281.403 3.581 20 0 CHADMN CCCn1cc(CN2CCC[C@@H]2/C=C/c2ccccc2)cn1 ZINC000507880009 1123245027 /nfs/dbraw/zinc/24/50/27/1123245027.db2.gz AUHRUQDMNZBTBT-GNISGLHKSA-N 0 1 295.430 3.971 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@@H](C)c2cnc(C)cn2)c1 ZINC000427819296 1123252231 /nfs/dbraw/zinc/25/22/31/1123252231.db2.gz RTQKTTJEOSMIDE-KGLIPLIRSA-N 0 1 285.391 3.596 20 0 CHADMN C[C@H](CC1CCCCC1)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000508013931 1123254984 /nfs/dbraw/zinc/25/49/84/1123254984.db2.gz FYGOZLJVUFGEMY-LLVKDONJSA-N 0 1 286.379 3.503 20 0 CHADMN O[C@@H]1C[C@H](NCc2ccc(F)c(Cl)c2)c2ccccc21 ZINC000850371594 1123258529 /nfs/dbraw/zinc/25/85/29/1123258529.db2.gz LCGNJIFZEQCLGO-JKSUJKDBSA-N 0 1 291.753 3.747 20 0 CHADMN O[C@H]1C[C@@H](NCc2ccc(Cl)c(F)c2)c2ccccc21 ZINC000850371382 1123258570 /nfs/dbraw/zinc/25/85/70/1123258570.db2.gz IUYCDAHNSAQAND-CVEARBPZSA-N 0 1 291.753 3.747 20 0 CHADMN CC(C)CN(Cc1cc(F)c(F)cc1F)C1CC1 ZINC000508043678 1123258890 /nfs/dbraw/zinc/25/88/90/1123258890.db2.gz VYCRAKCNZIWZGJ-UHFFFAOYSA-N 0 1 257.299 3.724 20 0 CHADMN Cc1cc(CN[C@@H]2C[C@H](O)c3ccccc32)ccc1Cl ZINC000850371813 1123259234 /nfs/dbraw/zinc/25/92/34/1123259234.db2.gz MEIOBRANEZIFHA-SJORKVTESA-N 0 1 287.790 3.916 20 0 CHADMN C[C@H](C1CC1)N(Cc1c(F)cccc1F)C1CC1 ZINC000508037664 1123259292 /nfs/dbraw/zinc/25/92/92/1123259292.db2.gz ISHKCWAOZANNKY-SNVBAGLBSA-N 0 1 251.320 3.728 20 0 CHADMN O[C@H]1C[C@@H](NCc2cc(Cl)cs2)c2ccccc21 ZINC000850376050 1123260645 /nfs/dbraw/zinc/26/06/45/1123260645.db2.gz WFGLCONEIWGMPK-KGLIPLIRSA-N 0 1 279.792 3.670 20 0 CHADMN CC(C)c1ncc(CN[C@@H]2CCc3ccc(O)cc32)s1 ZINC000850386959 1123260795 /nfs/dbraw/zinc/26/07/95/1123260795.db2.gz NIWVEKLQSICUMJ-OAHLLOKOSA-N 0 1 288.416 3.749 20 0 CHADMN COc1cccc(CNCc2cc(C)oc2C)c1C ZINC000850416501 1123264123 /nfs/dbraw/zinc/26/41/23/1123264123.db2.gz KHMLXHCOOPHBHS-UHFFFAOYSA-N 0 1 259.349 3.503 20 0 CHADMN COc1ccccc1CN[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850420573 1123264730 /nfs/dbraw/zinc/26/47/30/1123264730.db2.gz PLZOBXSYXAIZJX-AWEZNQCLSA-N 0 1 297.398 3.871 20 0 CHADMN C[C@@H](O)[C@H](NCc1cc(Cl)cs1)c1ccccc1 ZINC000850420903 1123264788 /nfs/dbraw/zinc/26/47/88/1123264788.db2.gz SXDOPFVOXCIPID-YGRLFVJLSA-N 0 1 281.808 3.613 20 0 CHADMN Cc1cccc(CN[C@H](C)c2ccc3c(c2)CCCO3)n1 ZINC000850425340 1123265472 /nfs/dbraw/zinc/26/54/72/1123265472.db2.gz LREMYLULXWEWEG-CQSZACIVSA-N 0 1 282.387 3.566 20 0 CHADMN CN(C)Cc1ccc(N[C@H]2CCCC23CC3)cc1F ZINC000850457158 1123270180 /nfs/dbraw/zinc/27/01/80/1123270180.db2.gz KOFXWPURGAVZAT-HNNXBMFYSA-N 0 1 262.372 3.632 20 0 CHADMN COc1cccc(OC)c1CN[C@H]1CCc2cc(C)ccc21 ZINC000850504740 1123276321 /nfs/dbraw/zinc/27/63/21/1123276321.db2.gz DNAARDHWQBOCPP-KRWDZBQOSA-N 0 1 297.398 3.789 20 0 CHADMN C[C@@H](N[C@@H]1C=CCC1)c1nc2ccc(Cl)cc2n1C ZINC000850508056 1123276891 /nfs/dbraw/zinc/27/68/91/1123276891.db2.gz HTQXMMABDZFZQD-ZYHUDNBSSA-N 0 1 275.783 3.596 20 0 CHADMN Cc1c([C@H](C)N[C@H]2C[C@@H](O)c3ccccc32)cnn1C(C)C ZINC000850527945 1123282998 /nfs/dbraw/zinc/28/29/98/1123282998.db2.gz IFZZXABJEJEUST-UYHISHBKSA-N 0 1 299.418 3.601 20 0 CHADMN CC(C)C[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1ccccn1 ZINC000850529413 1123284280 /nfs/dbraw/zinc/28/42/80/1123284280.db2.gz QZORBPBGTCANNN-GBESFXJTSA-N 0 1 296.414 3.937 20 0 CHADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCc1ccc2ccccc2c1 ZINC000520811438 1123285892 /nfs/dbraw/zinc/28/58/92/1123285892.db2.gz JNCAZRSAJOVMRO-KSSFIOAISA-N 0 1 297.398 3.567 20 0 CHADMN COCc1csc(CN[C@@H](C)c2cccnc2Cl)c1 ZINC000850533255 1123286226 /nfs/dbraw/zinc/28/62/26/1123286226.db2.gz UBZKRHWKJROJDW-JTQLQIEISA-N 0 1 296.823 3.794 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccc(O)cc21)c1ccnc(Cl)c1 ZINC000850543538 1123289112 /nfs/dbraw/zinc/28/91/12/1123289112.db2.gz LTMPTOQJJNUHLG-ZUZCIYMTSA-N 0 1 288.778 3.779 20 0 CHADMN Cc1cc(CN(Cc2ccccc2)[C@@H](C)C2CC2)nn1C ZINC000487413267 1123294223 /nfs/dbraw/zinc/29/42/23/1123294223.db2.gz LGCMBTOEJBGJFM-HNNXBMFYSA-N 0 1 283.419 3.529 20 0 CHADMN c1ccc2oc([C@H]3CCCCN3CC3=CCCOC3)nc2c1 ZINC000335084485 1123296096 /nfs/dbraw/zinc/29/60/96/1123296096.db2.gz BEAWDZHUPGDZAI-MRXNPFEDSA-N 0 1 298.386 3.702 20 0 CHADMN CSc1ccc(CNCc2cnc(Cl)s2)s1 ZINC000895153585 1123307423 /nfs/dbraw/zinc/30/74/23/1123307423.db2.gz PHADVPYXVWBZEC-UHFFFAOYSA-N 0 1 290.866 3.870 20 0 CHADMN Cc1ccc(CN[C@H]2CCCNc3ccccc32)nc1C ZINC000335150792 1123310917 /nfs/dbraw/zinc/31/09/17/1123310917.db2.gz RPRKMANDOWXFHF-SFHVURJKSA-N 0 1 281.403 3.735 20 0 CHADMN CCN(Cc1nc2cc(Cl)ccc2n1C)C1CCC1 ZINC000353881188 1123312027 /nfs/dbraw/zinc/31/20/27/1123312027.db2.gz QHQRCWMWNFZNLD-UHFFFAOYSA-N 0 1 277.799 3.601 20 0 CHADMN Cc1cc(CN[C@@H]2CCSc3ccc(F)cc32)ccn1 ZINC000335164754 1123314542 /nfs/dbraw/zinc/31/45/42/1123314542.db2.gz SWKAQVLSYKDJGL-OAHLLOKOSA-N 0 1 288.391 3.856 20 0 CHADMN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC(C)(C)C[C@H]1C ZINC000335174121 1123316791 /nfs/dbraw/zinc/31/67/91/1123316791.db2.gz PAPNBGXDXPBJBS-NEPJUHHUSA-N 0 1 285.391 3.517 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000335164291 1123317388 /nfs/dbraw/zinc/31/73/88/1123317388.db2.gz YYAOQPXDNVVUCA-MNOVXSKESA-N 0 1 291.782 3.620 20 0 CHADMN Cc1csc([C@H](C)NC[C@H]2CCC3(CCCCC3)O2)n1 ZINC000191020522 1123319943 /nfs/dbraw/zinc/31/99/43/1123319943.db2.gz JDYSKXMGXSUESZ-UONOGXRCSA-N 0 1 294.464 3.984 20 0 CHADMN C[C@@H](NC[C@@H]1CCC2(CCCCC2)O1)c1nccs1 ZINC000191020605 1123320434 /nfs/dbraw/zinc/32/04/34/1123320434.db2.gz IRKPOZBUSCXOLO-OLZOCXBDSA-N 0 1 280.437 3.676 20 0 CHADMN CC(C)c1nc(CN2CC[C@H](C3CCC3)C2)cs1 ZINC000665286500 1123326643 /nfs/dbraw/zinc/32/66/43/1123326643.db2.gz MYRXBCWCUWSDIX-ZDUSSCGKSA-N 0 1 264.438 3.889 20 0 CHADMN Clc1ccc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)o1 ZINC000335236734 1123326951 /nfs/dbraw/zinc/32/69/51/1123326951.db2.gz YKQRYWQPJJVPLC-HNNXBMFYSA-N 0 1 295.810 3.714 20 0 CHADMN COc1ccncc1CN1CCC[C@H]1c1ccc(C)cc1 ZINC000346877515 1123330247 /nfs/dbraw/zinc/33/02/47/1123330247.db2.gz XVIIMTGEXZMJEN-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN Cc1nc(C(C)C)oc1C[N@@H+](C)CCc1cccs1 ZINC000428258965 1123337992 /nfs/dbraw/zinc/33/79/92/1123337992.db2.gz YKWPUBBGKGKXRF-UHFFFAOYSA-N 0 1 278.421 3.842 20 0 CHADMN CO[C@H]1CCCC[C@@H]1N[C@@H](C)c1csc(C(C)C)n1 ZINC000442807121 1123339072 /nfs/dbraw/zinc/33/90/72/1123339072.db2.gz DBZCCVDTJKJDMR-OBJOEFQTSA-N 0 1 282.453 3.875 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CNCc1ccc(F)cn1 ZINC000443006660 1123351991 /nfs/dbraw/zinc/35/19/91/1123351991.db2.gz XVIPJPZZAYQTCI-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN CCCN(CC)Cc1coc(-c2ccc(F)cc2)n1 ZINC000521814140 1123353474 /nfs/dbraw/zinc/35/34/74/1123353474.db2.gz KEWGWSFMGHHJDK-UHFFFAOYSA-N 0 1 262.328 3.713 20 0 CHADMN CCCN1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000443087248 1123355147 /nfs/dbraw/zinc/35/51/47/1123355147.db2.gz OYQWYKJYHRGWAP-ZDUSSCGKSA-N 0 1 291.782 3.937 20 0 CHADMN C[C@@H](c1nc(-c2ccc(F)cc2)no1)N1CCCCCC1 ZINC000443100915 1123356446 /nfs/dbraw/zinc/35/64/46/1123356446.db2.gz BJDPJHDMWLCQIW-LBPRGKRZSA-N 0 1 289.354 3.813 20 0 CHADMN Cc1cnc([C@H](C)[N@H+]2CC[C@H](c3ccccc3C)C2)o1 ZINC000335319951 1123356717 /nfs/dbraw/zinc/35/67/17/1123356717.db2.gz VAKFKJXIJPPDSD-GJZGRUSLSA-N 0 1 270.376 3.842 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OC[C@H]1C[C@H]2C[C@H]2C1 ZINC000851412885 1123356805 /nfs/dbraw/zinc/35/68/05/1123356805.db2.gz VPURHRAIWSSQFH-XMQYKBBCSA-N 0 1 296.370 3.588 20 0 CHADMN Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](c3ccccc3C)C2)o1 ZINC000335319952 1123357038 /nfs/dbraw/zinc/35/70/38/1123357038.db2.gz VAKFKJXIJPPDSD-HUUCEWRRSA-N 0 1 270.376 3.842 20 0 CHADMN CC1=C[C@H](C)C[C@H](CN2CCO[C@@H](c3ccco3)C2)C1 ZINC000428271795 1123362050 /nfs/dbraw/zinc/36/20/50/1123362050.db2.gz HNHNPRDFGDLQFH-JLJPHGGASA-N 0 1 275.392 3.645 20 0 CHADMN CCCc1[nH]n(-c2cccc3cnccc32)c(=O)c1CC ZINC000634622419 1129121774 /nfs/dbraw/zinc/12/17/74/1129121774.db2.gz DREFPVKNOOQAMK-ZDUSSCGKSA-N 0 1 281.359 3.764 20 0 CHADMN Cc1ccc(Cc2noc([C@@H](C)N3[C@H](C)CC[C@@H]3C)n2)cc1 ZINC000443205264 1123363802 /nfs/dbraw/zinc/36/38/02/1123363802.db2.gz SBQCHYPRWFYDCZ-QLFBSQMISA-N 0 1 299.418 3.903 20 0 CHADMN Cc1cccc(Cc2noc([C@@H](C)N3[C@H](C)CC[C@@H]3C)n2)c1 ZINC000443200055 1123364073 /nfs/dbraw/zinc/36/40/73/1123364073.db2.gz FHKHFFBXMMOQND-QLFBSQMISA-N 0 1 299.418 3.903 20 0 CHADMN C[C@@H](Sc1c[nH]nn1)c1cc(Cl)ccc1Cl ZINC000443515527 1123421294 /nfs/dbraw/zinc/42/12/94/1123421294.db2.gz BIAVFYUNLBIZIK-ZCFIWIBFSA-N 0 1 274.176 3.965 20 0 CHADMN CC(C)N(Cc1ccccc1)Cc1cccc(F)n1 ZINC000851724867 1123376277 /nfs/dbraw/zinc/37/62/77/1123376277.db2.gz KUTZSMBKCZNTML-UHFFFAOYSA-N 0 1 258.340 3.631 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2cc(N)ccc21)c1ccncc1F ZINC000335481423 1123376795 /nfs/dbraw/zinc/37/67/95/1123376795.db2.gz RVNCKDGBEOHKPT-PIGZYNQJSA-N 0 1 285.366 3.531 20 0 CHADMN Cc1nc(CN(C)[C@@H](C)Cc2ccc(C)cc2)cs1 ZINC000156860142 1129118089 /nfs/dbraw/zinc/11/80/89/1129118089.db2.gz KNZJVPSWOZVQAU-ZDUSSCGKSA-N 0 1 274.433 3.823 20 0 CHADMN Fc1ccc([C@@H](NCc2cccc(F)n2)C2CCC2)cc1 ZINC000851839000 1123384366 /nfs/dbraw/zinc/38/43/66/1123384366.db2.gz ASUGYIKOEAECRL-KRWDZBQOSA-N 0 1 288.341 3.991 20 0 CHADMN O[C@H]1CCN(Cc2ccccc2C(F)(F)F)C2(CCC2)C1 ZINC000335606771 1123384468 /nfs/dbraw/zinc/38/44/68/1123384468.db2.gz CIPZSFAMJGEEGZ-ZDUSSCGKSA-N 0 1 299.336 3.585 20 0 CHADMN CS[C@@H]1CCCCN(CC=C(Cl)Cl)C1 ZINC000851859362 1123385440 /nfs/dbraw/zinc/38/54/40/1123385440.db2.gz PPYBXKXWCBNAHU-SECBINFHSA-N 0 1 254.226 3.523 20 0 CHADMN Fc1cccc2c(CN3CCc4ccccc4C3)c[nH]c21 ZINC001137050203 1123387140 /nfs/dbraw/zinc/38/71/40/1123387140.db2.gz VHIVCZRBRMEXTD-UHFFFAOYSA-N 0 1 280.346 3.865 20 0 CHADMN CC(C)(NCc1cccc(F)n1)c1cccc(Cl)c1 ZINC000851901390 1123388147 /nfs/dbraw/zinc/38/81/47/1123388147.db2.gz DPUWZMMHBBWZQV-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN CC[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1OC ZINC000522080903 1123389583 /nfs/dbraw/zinc/38/95/83/1123389583.db2.gz BRVAYEHJZXKWBV-CYBMUJFWSA-N 0 1 253.773 3.723 20 0 CHADMN C[C@@H]1c2ccccc2CN1C/C=C/c1ccncc1 ZINC000335695844 1123395534 /nfs/dbraw/zinc/39/55/34/1123395534.db2.gz RUACTMODOOVMDP-ISZGNANSSA-N 0 1 250.345 3.672 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCOc2ccc(OC)cc2C1 ZINC000852136610 1123397945 /nfs/dbraw/zinc/39/79/45/1123397945.db2.gz AEHNBNUGYQTXTC-LBPRGKRZSA-N 0 1 299.361 3.571 20 0 CHADMN O=C1CC[C@H](CN2CCCC[C@@H]2c2ccc(Cl)cc2)O1 ZINC000852140347 1123398099 /nfs/dbraw/zinc/39/80/99/1123398099.db2.gz KCHZZTRROWWHME-HUUCEWRRSA-N 0 1 293.794 3.573 20 0 CHADMN CC[C@@H](NCc1cnc2onc(C)c2c1)c1ccccc1F ZINC000895182783 1123400184 /nfs/dbraw/zinc/40/01/84/1123400184.db2.gz FVBRHNUIQNLBGZ-MRXNPFEDSA-N 0 1 299.349 3.911 20 0 CHADMN CC[C@H](C)c1cc(=O)n(Cc2cccc(C(F)(F)F)c2)[nH]1 ZINC000634591037 1129119231 /nfs/dbraw/zinc/11/92/31/1129119231.db2.gz RHXGNICOGLCXJP-JTQLQIEISA-N 0 1 298.308 3.840 20 0 CHADMN C[C@H]1CN(Cc2cccc(F)n2)CCc2ccc(F)cc21 ZINC000852215952 1123400271 /nfs/dbraw/zinc/40/02/71/1123400271.db2.gz WCLSLWHGOKTKMF-LBPRGKRZSA-N 0 1 288.341 3.522 20 0 CHADMN Cc1ccc(C2(NCc3cccc(F)n3)CCC2)cc1 ZINC000852208075 1123400416 /nfs/dbraw/zinc/40/04/16/1123400416.db2.gz CVXAFXOZMDYIGH-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN O=C1[C@H]2CCCCCCC2=NN1c1nc2ccccc2s1 ZINC000634585940 1129119477 /nfs/dbraw/zinc/11/94/77/1129119477.db2.gz WZAYSPMVMLBMBZ-NSHDSACASA-N 0 1 299.399 3.969 20 0 CHADMN CC[C@@H](c1ccccc1)N(CC)Cc1cc(C)n(C)n1 ZINC000487430800 1123405049 /nfs/dbraw/zinc/40/50/49/1123405049.db2.gz PFZFKHAZEIYWOL-KRWDZBQOSA-N 0 1 271.408 3.702 20 0 CHADMN Cc1c(Cl)cccc1-n1[nH]c(C2(C)CC2)cc1=O ZINC000634592190 1129119486 /nfs/dbraw/zinc/11/94/86/1129119486.db2.gz AXSCUEYMZHJOJZ-UHFFFAOYSA-N 0 1 262.740 3.541 20 0 CHADMN Cc1cc(CNCc2ccc(C(F)F)nc2)ccc1F ZINC000631036098 1123406000 /nfs/dbraw/zinc/40/60/00/1123406000.db2.gz FOLQFJAOESFBLG-UHFFFAOYSA-N 0 1 280.293 3.757 20 0 CHADMN CCC(C)(C)[C@@H]1CCCN1Cc1nc(C(C)(C)C)no1 ZINC000156957542 1129119783 /nfs/dbraw/zinc/11/97/83/1129119783.db2.gz YKACBRWRAJBBEN-LBPRGKRZSA-N 0 1 279.428 3.768 20 0 CHADMN O=C1[C@H]2CCCCCCC2=NN1c1nccc2sccc21 ZINC000634596989 1129119845 /nfs/dbraw/zinc/11/98/45/1129119845.db2.gz YKEHWDHQNDPWSG-NSHDSACASA-N 0 1 299.399 3.969 20 0 CHADMN CC(C)[C@H]1CCC2=NN(c3ccc(Cl)cn3)C(=O)[C@@H]2C1 ZINC000634593379 1129119872 /nfs/dbraw/zinc/11/98/72/1129119872.db2.gz NABJRRFLCCLWHF-CMPLNLGQSA-N 0 1 291.782 3.510 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)n1[nH]c(C2CCC2)cc1=O ZINC000634601608 1129120791 /nfs/dbraw/zinc/12/07/91/1129120791.db2.gz RCWNAQSXAPZVIE-SNVBAGLBSA-N 0 1 276.767 3.789 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@@H]2NCc1ccc(F)cn1 ZINC000335849667 1123446560 /nfs/dbraw/zinc/44/65/60/1123446560.db2.gz GAEBLZXEFRIICT-WBMJQRKESA-N 0 1 270.351 3.867 20 0 CHADMN CC1=NO[C@H](CN[C@H](C)c2ccc(-c3ccccc3)cn2)C1 ZINC000895301111 1123447381 /nfs/dbraw/zinc/44/73/81/1123447381.db2.gz ZIAFAUYBKAPNBN-PBHICJAKSA-N 0 1 295.386 3.564 20 0 CHADMN CCC[C@@H](C)N(C)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000443621309 1123448833 /nfs/dbraw/zinc/44/88/33/1123448833.db2.gz GVIPFIYLSOLGBW-GFCCVEGCSA-N 0 1 293.361 3.771 20 0 CHADMN Cc1cccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)c1 ZINC000335884285 1123458362 /nfs/dbraw/zinc/45/83/62/1123458362.db2.gz KAIUQMIAVPWBOY-ZDUSSCGKSA-N 0 1 297.402 3.585 20 0 CHADMN CN(C)[C@@H](CNc1cccc(F)n1)c1ccccc1Cl ZINC000193907663 1129123080 /nfs/dbraw/zinc/12/30/80/1129123080.db2.gz VMSLCNZXNJMJOY-ZDUSSCGKSA-N 0 1 293.773 3.589 20 0 CHADMN CCc1ccc(C)nc1NCc1nnc(C(C)C)s1 ZINC000895330370 1123459404 /nfs/dbraw/zinc/45/94/04/1123459404.db2.gz OUWNJLSUQCOWLH-UHFFFAOYSA-N 0 1 276.409 3.539 20 0 CHADMN CCCc1noc(CN2CCC[C@H]2Cc2ccc(C)cc2)n1 ZINC000113517908 1123460509 /nfs/dbraw/zinc/46/05/09/1123460509.db2.gz ZSUQZVIYBFNXBT-INIZCTEOSA-N 0 1 299.418 3.538 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN(C)Cc1cccn1C ZINC000443656483 1123463560 /nfs/dbraw/zinc/46/35/60/1123463560.db2.gz LRCHLZFMKZJREW-UHFFFAOYSA-N 0 1 296.336 3.984 20 0 CHADMN C[C@@H]1CCN(CC(=O)Nc2ccccc2Cl)C[C@@H](C)C1 ZINC000443656221 1123463725 /nfs/dbraw/zinc/46/37/25/1123463725.db2.gz RIMPCKOUUJEIBD-OLZOCXBDSA-N 0 1 294.826 3.647 20 0 CHADMN C[C@@H]1C[C@H](C)CCN(Cc2nc(-c3cccs3)no2)C1 ZINC000443654620 1123463734 /nfs/dbraw/zinc/46/37/34/1123463734.db2.gz IZELQQFCXDHNDV-VXGBXAGGSA-N 0 1 291.420 3.666 20 0 CHADMN Cn1ccnc1[C@H]1N(C[C@@H]2CCc3ccccc32)CC1(C)C ZINC000854026371 1123466075 /nfs/dbraw/zinc/46/60/75/1123466075.db2.gz AJVXSUWEAGOHEM-DOTOQJQBSA-N 0 1 295.430 3.533 20 0 CHADMN Cc1ccc2oc(CNCc3cnn(C)c3C3CC3)cc2c1 ZINC000895373755 1123470110 /nfs/dbraw/zinc/47/01/10/1123470110.db2.gz NOBJCUUVZOZQJZ-UHFFFAOYSA-N 0 1 295.386 3.642 20 0 CHADMN CC[C@H](NC)c1nc(-c2ccc3[nH]c(C)c(C)c3c2)no1 ZINC000854138084 1123471146 /nfs/dbraw/zinc/47/11/46/1123471146.db2.gz UCSFNGMYLSRQSU-ZDUSSCGKSA-N 0 1 284.363 3.505 20 0 CHADMN CC[C@@H](NC)c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC000854149359 1123471407 /nfs/dbraw/zinc/47/14/07/1123471407.db2.gz ATDNVEBVJPBNIA-SNVBAGLBSA-N 0 1 286.162 3.714 20 0 CHADMN CCn1cc(CNCc2ccc(Cl)c(Cl)c2)c(C)n1 ZINC000895380076 1123471558 /nfs/dbraw/zinc/47/15/58/1123471558.db2.gz YERNHDCXWHDOHA-UHFFFAOYSA-N 0 1 298.217 3.808 20 0 CHADMN FCC[C@H]1CCCN(Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000895384859 1123473138 /nfs/dbraw/zinc/47/31/38/1123473138.db2.gz ZTRQSKLNHVXAAE-SNVBAGLBSA-N 0 1 285.794 3.512 20 0 CHADMN CC[C@@H](C)N(C)Cc1cc(Br)cc(F)c1F ZINC001141797112 1123475176 /nfs/dbraw/zinc/47/51/76/1123475176.db2.gz LFYIOOMRQYUXMK-MRVPVSSYSA-N 0 1 292.167 3.958 20 0 CHADMN COCc1ccc(C[N@@H+](Cc2ccccn2)C(C)C)cc1 ZINC000535812491 1123476556 /nfs/dbraw/zinc/47/65/56/1123476556.db2.gz JNMLSSDPUMFNIQ-UHFFFAOYSA-N 0 1 284.403 3.639 20 0 CHADMN C[C@@H](N[C@H]1CCc2cc(N)ccc21)c1cccnc1Cl ZINC000854227579 1123478821 /nfs/dbraw/zinc/47/88/21/1123478821.db2.gz WFVJHKQMOUHRIP-BMIGLBTASA-N 0 1 287.794 3.655 20 0 CHADMN Cc1cc(F)ncc1CN[C@H](c1ccccn1)C1CCC1 ZINC000895582662 1123494863 /nfs/dbraw/zinc/49/48/63/1123494863.db2.gz VQDJDPFWWDPLCL-KRWDZBQOSA-N 0 1 285.366 3.555 20 0 CHADMN O=C(/C=C/C1CCCCCC1)NCc1ccc2nc[nH]c2c1 ZINC000854810163 1123494885 /nfs/dbraw/zinc/49/48/85/1123494885.db2.gz NOUCKDHKVPCADR-CSKARUKUSA-N 0 1 297.402 3.706 20 0 CHADMN Cc1cc(F)ncc1CN[C@@H](c1ccccn1)C1CCC1 ZINC000895582663 1123495283 /nfs/dbraw/zinc/49/52/83/1123495283.db2.gz VQDJDPFWWDPLCL-QGZVFWFLSA-N 0 1 285.366 3.555 20 0 CHADMN CC[C@@H](CNC1(c2ncccn2)CCC1)c1ccccc1 ZINC000895622657 1123497949 /nfs/dbraw/zinc/49/79/49/1123497949.db2.gz LTBCYFSZMOQVET-HNNXBMFYSA-N 0 1 281.403 3.639 20 0 CHADMN C[C@H](CCNC1(c2ncccn2)CCC1)c1ccccc1 ZINC000895623219 1123498113 /nfs/dbraw/zinc/49/81/13/1123498113.db2.gz PUGZGENYVADPDX-OAHLLOKOSA-N 0 1 281.403 3.639 20 0 CHADMN CC(C)Cc1ccc(CN[C@H](C)c2ccns2)cn1 ZINC000895661032 1123502260 /nfs/dbraw/zinc/50/22/60/1123502260.db2.gz BCOZKRACQIAAPD-GFCCVEGCSA-N 0 1 275.421 3.587 20 0 CHADMN CCCCN(C(=O)c1ccn[nH]1)[C@H](CC)c1ccccc1 ZINC000114645428 1123503418 /nfs/dbraw/zinc/50/34/18/1123503418.db2.gz QSWQPJPEKBUJRI-MRXNPFEDSA-N 0 1 285.391 3.803 20 0 CHADMN CCc1cc(CN2CCC[C@H]2c2cccs2)on1 ZINC001203218841 1123504425 /nfs/dbraw/zinc/50/44/25/1123504425.db2.gz IXAMPSHNKFGMFK-ZDUSSCGKSA-N 0 1 262.378 3.636 20 0 CHADMN CC(C)CC[C@@H]1CC[C@@H](NCc2nc(C(F)F)no2)C1 ZINC000895724475 1123507969 /nfs/dbraw/zinc/50/79/69/1123507969.db2.gz GIJRBHIWHMMPKJ-GHMZBOCLSA-N 0 1 287.354 3.702 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)cn1 ZINC000338967863 1123510219 /nfs/dbraw/zinc/51/02/19/1123510219.db2.gz JBOHSQSRJFPQMF-AWEZNQCLSA-N 0 1 298.352 3.945 20 0 CHADMN CCc1cccc(Cl)c1CNCc1cccc(CO)c1 ZINC000474354087 1123511575 /nfs/dbraw/zinc/51/15/75/1123511575.db2.gz NPFRCDBKIXIRLG-UHFFFAOYSA-N 0 1 289.806 3.685 20 0 CHADMN COc1ccc2nc(CNCc3cccc(C)c3)sc2c1 ZINC000474358570 1123512912 /nfs/dbraw/zinc/51/29/12/1123512912.db2.gz SRFBTFLXHFFSAA-UHFFFAOYSA-N 0 1 298.411 3.903 20 0 CHADMN FC(F)[C@H]1CCN(Cc2cc3ccccc3s2)CCO1 ZINC000634735202 1129127199 /nfs/dbraw/zinc/12/71/99/1129127199.db2.gz ZBSDMMIPUPKKFT-CYBMUJFWSA-N 0 1 297.370 3.757 20 0 CHADMN CN(CCCF)Cc1ccsc1C(F)(F)F ZINC000895896230 1123528869 /nfs/dbraw/zinc/52/88/69/1123528869.db2.gz RYDIZHLIAUZXSS-UHFFFAOYSA-N 0 1 255.280 3.558 20 0 CHADMN C[C@H](C(=O)Nc1cc(F)cc(Cl)c1O)C(C)(C)C ZINC000474434220 1123530156 /nfs/dbraw/zinc/53/01/56/1123530156.db2.gz QFPISGUZQIAMLB-SSDOTTSWSA-N 0 1 273.735 3.805 20 0 CHADMN CC[C@]1(C)C[C@H]1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474445236 1123531259 /nfs/dbraw/zinc/53/12/59/1123531259.db2.gz LFLDJGYPWSUYPM-ISVAXAHUSA-N 0 1 271.719 3.559 20 0 CHADMN O[C@@H]1CCN(Cc2ccc(F)cc2)[C@@H](c2ccccc2)C1 ZINC000639367546 1123541749 /nfs/dbraw/zinc/54/17/49/1123541749.db2.gz SDNBLSBEDWXRMU-QZTJIDSGSA-N 0 1 285.362 3.524 20 0 CHADMN c1csc([C@H]2CN(CCC3CCCC3)CCO2)c1 ZINC000157499381 1129128579 /nfs/dbraw/zinc/12/85/79/1129128579.db2.gz DZARZFZQVBWQRT-CQSZACIVSA-N 0 1 265.422 3.702 20 0 CHADMN Cc1cccc(NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)n1 ZINC000896131072 1123551812 /nfs/dbraw/zinc/55/18/12/1123551812.db2.gz GYAOCGJMIVAKJT-UKRRQHHQSA-N 0 1 274.314 3.851 20 0 CHADMN CCCN1Cc2cccc(NC(=O)/C=C/C(C)(C)C)c2C1 ZINC000114262496 1123560732 /nfs/dbraw/zinc/56/07/32/1123560732.db2.gz RSTQLPBUVBVXGK-MDZDMXLPSA-N 0 1 286.419 3.953 20 0 CHADMN CCCC[C@@H](CC)C[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000530180455 1123565236 /nfs/dbraw/zinc/56/52/36/1123565236.db2.gz ZWQAABQDGIWUKQ-LXTVHRRPSA-N 0 1 269.429 3.776 20 0 CHADMN Cc1noc(C)c1-c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000713581619 1123566739 /nfs/dbraw/zinc/56/67/39/1123566739.db2.gz REZNYXWPOKEHJX-UHFFFAOYSA-N 0 1 265.675 3.627 20 0 CHADMN Cn1cc(CN[C@H](CC2CC2)c2ccccc2)c(Cl)n1 ZINC000856772117 1123568423 /nfs/dbraw/zinc/56/84/23/1123568423.db2.gz PGIGBDADHOKAJY-OAHLLOKOSA-N 0 1 289.810 3.705 20 0 CHADMN Cc1n[nH]cc1CN[C@H]1CCSc2c(Cl)cccc21 ZINC000335951279 1123587239 /nfs/dbraw/zinc/58/72/39/1123587239.db2.gz ADQKBGMAVDAJBO-ZDUSSCGKSA-N 0 1 293.823 3.698 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@@H]1CCCc2c(O)cccc21 ZINC000671112199 1129131550 /nfs/dbraw/zinc/13/15/50/1129131550.db2.gz XAEPOQIPZWXTFG-MEBBXXQBSA-N 0 1 286.375 3.725 20 0 CHADMN CCCNC(=O)CN[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000102688276 1123591927 /nfs/dbraw/zinc/59/19/27/1123591927.db2.gz UUGBGQJEXYQIBL-OAHLLOKOSA-N 0 1 296.414 3.530 20 0 CHADMN Fc1cc(Cl)cc(CN2CC[C@H](c3cccnc3)C2)c1 ZINC000648052843 1123594110 /nfs/dbraw/zinc/59/41/10/1123594110.db2.gz OMSGJMWUSHOVCE-AWEZNQCLSA-N 0 1 290.769 3.864 20 0 CHADMN CCC1(CC)CCCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000618673048 1123597669 /nfs/dbraw/zinc/59/76/69/1123597669.db2.gz OMTHUXOCQPZBIZ-UHFFFAOYSA-N 0 1 285.391 3.605 20 0 CHADMN C[C@H]1CCCN(Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000157679685 1129132490 /nfs/dbraw/zinc/13/24/90/1129132490.db2.gz QGHXKZZEIVBKBG-NSHDSACASA-N 0 1 291.345 3.587 20 0 CHADMN CC[N@@H+](CC1CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000179321266 1123601988 /nfs/dbraw/zinc/60/19/88/1123601988.db2.gz MSUYQZJHCYIDEO-GFCCVEGCSA-N 0 1 294.826 3.707 20 0 CHADMN CC(C)O[C@@H](CN1CC[C@](C)(F)C1)c1ccccc1 ZINC000428305643 1123603331 /nfs/dbraw/zinc/60/33/31/1123603331.db2.gz LZDVPDCTMNARJU-HOTGVXAUSA-N 0 1 265.372 3.587 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CN1Cc1nnc(C(C)(C)C)o1 ZINC000115551796 1123618457 /nfs/dbraw/zinc/61/84/57/1123618457.db2.gz WQBRURADIPRJCC-ZFWWWQNUSA-N 0 1 299.418 3.745 20 0 CHADMN c1coc([C@@H](N[C@H]2CCCc3cn[nH]c32)c2ccccc2)c1 ZINC000857847372 1123620804 /nfs/dbraw/zinc/62/08/04/1123620804.db2.gz ZKOGCJMMRMBJAY-YJBOKZPZSA-N 0 1 293.370 3.759 20 0 CHADMN c1[nH]nc2c1CCC[C@@H]2NCc1cc2c(s1)CCCC2 ZINC000857849170 1123622045 /nfs/dbraw/zinc/62/20/45/1123622045.db2.gz HYOZAUYPTDCIFR-AWEZNQCLSA-N 0 1 287.432 3.517 20 0 CHADMN Cc1ccccc1C1(N[C@H]2CCCc3c[nH]nc32)CCC1 ZINC000857870128 1123622859 /nfs/dbraw/zinc/62/28/59/1123622859.db2.gz CRWWPRCCNXCLGH-INIZCTEOSA-N 0 1 281.403 3.765 20 0 CHADMN c1n[nH]c2c1CCC[C@H]2Nc1cccc(N2CCCCC2)c1 ZINC000857861032 1123622907 /nfs/dbraw/zinc/62/29/07/1123622907.db2.gz PRBNLTPCVHRFHN-QGZVFWFLSA-N 0 1 296.418 3.890 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc2[nH]cnc21 ZINC000157862713 1129133993 /nfs/dbraw/zinc/13/39/93/1129133993.db2.gz JLSOROKEHZNKSX-LLVKDONJSA-N 0 1 297.333 3.535 20 0 CHADMN c1n[nH]c2c1CCC[C@@H]2Nc1cccc(C2CCOCC2)c1 ZINC000857871406 1123623591 /nfs/dbraw/zinc/62/35/91/1123623591.db2.gz OTOYEFMTIBBTMG-KRWDZBQOSA-N 0 1 297.402 3.793 20 0 CHADMN CC[C@H](OCCN[C@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000857872430 1123623888 /nfs/dbraw/zinc/62/38/88/1123623888.db2.gz MPMXQJHAEYOKCN-IRXDYDNUSA-N 0 1 299.418 3.545 20 0 CHADMN C[C@@H](CC(F)(F)F)N[C@@H]1CCc2ccc(Cl)nc21 ZINC000857911094 1123626033 /nfs/dbraw/zinc/62/60/33/1123626033.db2.gz WRGRQCIICDLIHY-IONNQARKSA-N 0 1 278.705 3.653 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc2[nH]cnc21 ZINC000157862571 1129134422 /nfs/dbraw/zinc/13/44/22/1129134422.db2.gz JLSOROKEHZNKSX-NSHDSACASA-N 0 1 297.333 3.535 20 0 CHADMN Cc1cccn2c(CN(C)[C@H](C)c3cccs3)cnc12 ZINC000157836537 1129134532 /nfs/dbraw/zinc/13/45/32/1129134532.db2.gz DSGAAKADXQVXQP-CYBMUJFWSA-N 0 1 285.416 3.897 20 0 CHADMN CC(C)Oc1ccc([C@@H](C)NCc2ccnc(F)c2)cc1 ZINC000858098043 1123630809 /nfs/dbraw/zinc/63/08/09/1123630809.db2.gz DZPUJGXNEYIHBR-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN c1nc(CN2CCC[C@@H](CCCc3ccccc3)C2)co1 ZINC000191948343 1123633540 /nfs/dbraw/zinc/63/35/40/1123633540.db2.gz GZHYORTZNQTCIX-QGZVFWFLSA-N 0 1 284.403 3.910 20 0 CHADMN CSCc1cc(F)ccc1CN[C@@H](C)c1cncs1 ZINC000167114134 1123635736 /nfs/dbraw/zinc/63/57/36/1123635736.db2.gz FQTKICYEDIQXRR-JTQLQIEISA-N 0 1 296.436 3.996 20 0 CHADMN CO[C@H](CN[C@@H](C)c1ccc(Cl)c(F)c1)C(F)(F)F ZINC000777007938 1123637862 /nfs/dbraw/zinc/63/78/62/1123637862.db2.gz NQDVKXHZCCEVOP-WRWORJQWSA-N 0 1 299.695 3.707 20 0 CHADMN Fc1cccc(F)c1C1(CNCc2cocn2)CCCC1 ZINC000192301600 1123638492 /nfs/dbraw/zinc/63/84/92/1123638492.db2.gz BUJRXCNVUKLZDV-UHFFFAOYSA-N 0 1 292.329 3.554 20 0 CHADMN Cc1cc(CN[C@H](c2ccccn2)C2CCC2)c(C)o1 ZINC000858238281 1123639211 /nfs/dbraw/zinc/63/92/11/1123639211.db2.gz HQHYXHQMTWOFEK-KRWDZBQOSA-N 0 1 270.376 3.922 20 0 CHADMN CC[C@H](NCc1ccc(C)nn1)c1cc(C)ccc1C ZINC000858296512 1123642292 /nfs/dbraw/zinc/64/22/92/1123642292.db2.gz VOJCCISAXSAVRU-KRWDZBQOSA-N 0 1 269.392 3.643 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccns2)c(C)c1 ZINC000858319241 1123645531 /nfs/dbraw/zinc/64/55/31/1123645531.db2.gz YSMWNNNRRJMKCW-LBPRGKRZSA-N 0 1 276.405 3.701 20 0 CHADMN C(=C/c1ccccc1)\CN[C@@H]1CCCc2scnc21 ZINC000858364358 1123647542 /nfs/dbraw/zinc/64/75/42/1123647542.db2.gz FOPSACOZYSRVCH-LHRNQBEKSA-N 0 1 270.401 3.824 20 0 CHADMN C[C@H](c1cccnc1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000346086951 1123663730 /nfs/dbraw/zinc/66/37/30/1123663730.db2.gz USWYZIBOYNAPBC-OCCSQVGLSA-N 0 1 288.341 3.910 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccns1)c1ccccc1N(C)C ZINC000858578246 1123665084 /nfs/dbraw/zinc/66/50/84/1123665084.db2.gz TWDLZKSOSBECGT-NEPJUHHUSA-N 0 1 275.421 3.621 20 0 CHADMN Cc1cccc2c1CC[C@H]2N[C@@H](C)c1ccns1 ZINC000858579453 1123665921 /nfs/dbraw/zinc/66/59/21/1123665921.db2.gz WCQCUKZBJLHLIM-SMDDNHRTSA-N 0 1 258.390 3.790 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H]1CCc2ccc(Cl)cc21 ZINC000858583357 1123666022 /nfs/dbraw/zinc/66/60/22/1123666022.db2.gz ZXEKGTIIBIWOFB-ABAIWWIYSA-N 0 1 287.794 3.777 20 0 CHADMN CCC[C@H](C)CC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000346156106 1123668643 /nfs/dbraw/zinc/66/86/43/1123668643.db2.gz CREUBKFZIBYSIV-LSDHHAIUSA-N 0 1 294.439 3.605 20 0 CHADMN CO[C@H](C)CN(Cc1ncc(C(C)C)s1)C(C)C ZINC000346214953 1123671420 /nfs/dbraw/zinc/67/14/20/1123671420.db2.gz ZMRQVUFUDXFPOO-GFCCVEGCSA-N 0 1 270.442 3.512 20 0 CHADMN Cc1cc(CN2CCOC(C)(C)[C@H]2C)cc2cccnc12 ZINC000346202733 1123672161 /nfs/dbraw/zinc/67/21/61/1123672161.db2.gz OPODUMYESPDXCJ-CQSZACIVSA-N 0 1 284.403 3.543 20 0 CHADMN C[C@H]1CCCN(Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000346351554 1123680954 /nfs/dbraw/zinc/68/09/54/1123680954.db2.gz PFMHEPMDWYKQKN-AWEZNQCLSA-N 0 1 283.375 3.501 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1ccnc(F)c1 ZINC000859050071 1123681524 /nfs/dbraw/zinc/68/15/24/1123681524.db2.gz GPTVUQWXXHYKMD-NSHDSACASA-N 0 1 262.303 3.553 20 0 CHADMN CC(C)c1ccc(CN(C)Cc2ccnc(F)c2)cc1 ZINC000859069437 1123682392 /nfs/dbraw/zinc/68/23/92/1123682392.db2.gz NFINNJXTAKMMCR-UHFFFAOYSA-N 0 1 272.367 3.976 20 0 CHADMN Cc1cnccc1CN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000859135690 1123685864 /nfs/dbraw/zinc/68/58/64/1123685864.db2.gz NQOPFDGKCWNPSL-GPMSIDNRSA-N 0 1 296.414 3.741 20 0 CHADMN CCC1(CC)CCCN(Cc2nnc(C)s2)CC1 ZINC000346470177 1123687530 /nfs/dbraw/zinc/68/75/30/1123687530.db2.gz NGAIFKSKYMYABE-UHFFFAOYSA-N 0 1 267.442 3.639 20 0 CHADMN C[C@H](CNCc1noc(-c2cccs2)n1)c1ccccc1 ZINC000281281727 1123693339 /nfs/dbraw/zinc/69/33/39/1123693339.db2.gz XMVGGPUQZBNWSL-GFCCVEGCSA-N 0 1 299.399 3.691 20 0 CHADMN CSCCCN[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000346571484 1123693950 /nfs/dbraw/zinc/69/39/50/1123693950.db2.gz ZCXKYDIUCBPGEH-INIZCTEOSA-N 0 1 290.407 3.653 20 0 CHADMN CC[C@H](c1cccc(OC)c1)N(C)Cc1ccnc(F)c1 ZINC000859305295 1123694314 /nfs/dbraw/zinc/69/43/14/1123694314.db2.gz MOJPLGFFGLVLNP-MRXNPFEDSA-N 0 1 288.366 3.812 20 0 CHADMN Fc1cc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)ccn1 ZINC000859314835 1123694758 /nfs/dbraw/zinc/69/47/58/1123694758.db2.gz AFOUHJPERUXEPJ-AWEZNQCLSA-N 0 1 290.769 3.864 20 0 CHADMN Fc1cc(CN2CC[C@H](c3cccc(Cl)c3)C2)ccn1 ZINC000859314835 1123694762 /nfs/dbraw/zinc/69/47/62/1123694762.db2.gz AFOUHJPERUXEPJ-AWEZNQCLSA-N 0 1 290.769 3.864 20 0 CHADMN Fc1cc(C[N@H+]2CCCC3(CCCC3)CC2)ccn1 ZINC000859343638 1123695037 /nfs/dbraw/zinc/69/50/37/1123695037.db2.gz CLKHQVOZUIDEML-UHFFFAOYSA-N 0 1 262.372 3.767 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc(F)cn2)cc1F ZINC000346616375 1123698611 /nfs/dbraw/zinc/69/86/11/1123698611.db2.gz OWUFHHZDZUBYGG-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN F[C@H](c1nc(-c2ccc3[nH]cnc3c2)no1)c1ccccc1 ZINC000346602838 1123699404 /nfs/dbraw/zinc/69/94/04/1123699404.db2.gz LVAUKOJIUZVUCZ-AWEZNQCLSA-N 0 1 294.289 3.672 20 0 CHADMN Fc1ccc([C@@H](NC2CCC2)c2cccnc2)c(F)c1 ZINC000346626139 1123702107 /nfs/dbraw/zinc/70/21/07/1123702107.db2.gz GYSJHNHSVSBZDF-INIZCTEOSA-N 0 1 274.314 3.591 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000859779789 1123708926 /nfs/dbraw/zinc/70/89/26/1123708926.db2.gz OBYLPTTYVWUSQG-CYBMUJFWSA-N 0 1 299.370 3.877 20 0 CHADMN CC(C)(CC[N@@H+](C1CC1)[C@H]1CCc2ccccc21)C(=O)[O-] ZINC000859783449 1123709755 /nfs/dbraw/zinc/70/97/55/1123709755.db2.gz VIYHNYIJLJIUOE-INIZCTEOSA-N 0 1 287.403 3.639 20 0 CHADMN CC(C)CC[C@H]1CCCCN1Cc1nnc(C2CC2)o1 ZINC000158166976 1129140547 /nfs/dbraw/zinc/14/05/47/1129140547.db2.gz VXMQPSKUZFYABD-CQSZACIVSA-N 0 1 277.412 3.738 20 0 CHADMN FC(F)(F)c1ncc(CNC/C=C\c2ccccc2)s1 ZINC000443994318 1123717631 /nfs/dbraw/zinc/71/76/31/1123717631.db2.gz OBWNALMUXROMDZ-DAXSKMNVSA-N 0 1 298.333 3.965 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@@H]1CCCc2occc21 ZINC000281544232 1123723245 /nfs/dbraw/zinc/72/32/45/1123723245.db2.gz ZMYHQVJSAUEYPA-OAHLLOKOSA-N 0 1 273.380 3.533 20 0 CHADMN c1coc(C[N@H+](CCOC2CCC2)Cc2ccccc2)c1 ZINC000346891406 1123730558 /nfs/dbraw/zinc/73/05/58/1123730558.db2.gz ZONFLXHNOXNMFH-UHFFFAOYSA-N 0 1 285.387 3.851 20 0 CHADMN c1coc(CN(CCOC2CCC2)Cc2ccccc2)c1 ZINC000346891406 1123730559 /nfs/dbraw/zinc/73/05/59/1123730559.db2.gz ZONFLXHNOXNMFH-UHFFFAOYSA-N 0 1 285.387 3.851 20 0 CHADMN Cc1nc2ccc(NC(=O)Cc3c(C)cccc3C)cc2[nH]1 ZINC000346913649 1123732419 /nfs/dbraw/zinc/73/24/19/1123732419.db2.gz DESJBBWKSVJNAJ-UHFFFAOYSA-N 0 1 293.370 3.669 20 0 CHADMN Cc1nn(C(C)C)cc1CN(C)[C@@H](C)c1ccccc1 ZINC000281648336 1123734337 /nfs/dbraw/zinc/73/43/37/1123734337.db2.gz PKXFDNQLPUUECZ-HNNXBMFYSA-N 0 1 271.408 3.965 20 0 CHADMN Fc1ccc(F)c2c1CCN(CCCC1CCOCC1)C2 ZINC000346932354 1123734409 /nfs/dbraw/zinc/73/44/09/1123734409.db2.gz MFAHADQAXKXTSG-UHFFFAOYSA-N 0 1 295.373 3.530 20 0 CHADMN COc1ccc(C)cc1CN1CCC[C@@H]1c1cccnc1 ZINC000346966671 1123737803 /nfs/dbraw/zinc/73/78/03/1123737803.db2.gz JQGDAKBLNCJNOA-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN Cc1ccc(C(=O)CCN2CCC[C@@H]2c2cccnc2)cc1 ZINC000346966614 1123738069 /nfs/dbraw/zinc/73/80/69/1123738069.db2.gz JIRSDRYXOSJAGH-GOSISDBHSA-N 0 1 294.398 3.800 20 0 CHADMN CCN(Cc1cccs1)Cc1cn(C(C)C)nc1C ZINC000281762599 1123743689 /nfs/dbraw/zinc/74/36/89/1123743689.db2.gz WLPHINFGUBOSOG-UHFFFAOYSA-N 0 1 277.437 3.856 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H](c2ccccc2)C2CC2)cn1 ZINC000428327311 1123749250 /nfs/dbraw/zinc/74/92/50/1123749250.db2.gz SJZHRRZRJQFARF-GUYCJALGSA-N 0 1 267.376 3.587 20 0 CHADMN O=C(Nc1scnc1C1CC1)c1ccc(O)c(Cl)c1 ZINC000336320354 1123761592 /nfs/dbraw/zinc/76/15/92/1123761592.db2.gz CRUFESZYFLOTOB-UHFFFAOYSA-N 0 1 294.763 3.632 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2nc3ccccc3n2C(F)F)C1 ZINC000444221654 1123772684 /nfs/dbraw/zinc/77/26/84/1123772684.db2.gz DOWKRAPNPZHGSI-QWRGUYRKSA-N 0 1 279.334 3.662 20 0 CHADMN COc1ccc(CN2CCCC[C@@H]2C)cc1Br ZINC000042211221 1123781095 /nfs/dbraw/zinc/78/10/95/1123781095.db2.gz YNAFLUJDSFOLRY-NSHDSACASA-N 0 1 298.224 3.832 20 0 CHADMN O=C(Nc1nc(C2CC2)cs1)c1ccc(Cl)cc1O ZINC000042356486 1123785144 /nfs/dbraw/zinc/78/51/44/1123785144.db2.gz HCRAVSYCFCYVED-UHFFFAOYSA-N 0 1 294.763 3.632 20 0 CHADMN Cc1ccc([C@@H](C)NC(=O)c2ccc(O)c(Cl)c2)cc1 ZINC000042353649 1123785194 /nfs/dbraw/zinc/78/51/94/1123785194.db2.gz HHCQCYXGMWKCEZ-LLVKDONJSA-N 0 1 289.762 3.845 20 0 CHADMN C[C@H](NC(=O)Nc1cccc(Cl)c1O)c1ccccc1 ZINC001202506077 1123791097 /nfs/dbraw/zinc/79/10/97/1123791097.db2.gz IRDSYCAQLVAXOD-JTQLQIEISA-N 0 1 290.750 3.928 20 0 CHADMN Cc1c(CN2CC=C(c3ccc(O)cc3)CC2)ccnc1F ZINC000862215048 1123792779 /nfs/dbraw/zinc/79/27/79/1123792779.db2.gz FDGULCPFBHVOJX-UHFFFAOYSA-N 0 1 298.361 3.524 20 0 CHADMN Cc1c(CN2CCc3ccccc3[C@H]2C)ccnc1F ZINC000862240575 1123794021 /nfs/dbraw/zinc/79/40/21/1123794021.db2.gz MXJNKJPMDDSEIH-CYBMUJFWSA-N 0 1 270.351 3.648 20 0 CHADMN Cc1c(CN[C@H]2CCSc3ccccc32)ccnc1F ZINC000862261948 1123796519 /nfs/dbraw/zinc/79/65/19/1123796519.db2.gz OSESLUCYPNZKOU-AWEZNQCLSA-N 0 1 288.391 3.856 20 0 CHADMN Cc1c(CNC2(c3ccccc3F)CCC2)ccnc1F ZINC000862400672 1123807878 /nfs/dbraw/zinc/80/78/78/1123807878.db2.gz ZNGCQTOTVDHBQI-UHFFFAOYSA-N 0 1 288.341 3.837 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1C[NH2+]C(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000862432483 1123808419 /nfs/dbraw/zinc/80/84/19/1123808419.db2.gz FNYVUJUVJGIPMG-ZIAGYGMSSA-N 0 1 291.439 3.532 20 0 CHADMN Cc1c(CN[C@@]2(c3ccccc3)CC2(C)C)ccnc1F ZINC000862420793 1123808746 /nfs/dbraw/zinc/80/87/46/1123808746.db2.gz WKUSFOHAUJOXIR-GOSISDBHSA-N 0 1 284.378 3.944 20 0 CHADMN CC(C)C[C@H](N[C@@H](C)c1ccncn1)c1ccccc1 ZINC000396015509 1123813200 /nfs/dbraw/zinc/81/32/00/1123813200.db2.gz JPHHYUUPDPPOSN-YOEHRIQHSA-N 0 1 269.392 3.915 20 0 CHADMN CC[C@H](C)c1cccc(NC(=O)C2(N(C)C)CCC2)c1 ZINC000862487993 1123815020 /nfs/dbraw/zinc/81/50/20/1123815020.db2.gz YHUUSAFPWQDLRJ-ZDUSSCGKSA-N 0 1 274.408 3.623 20 0 CHADMN Cc1cc(C)c(CN(C)[C@@H](C)c2ccccn2)c(C)n1 ZINC000639551643 1123815613 /nfs/dbraw/zinc/81/56/13/1123815613.db2.gz QDSJWGNQJOBVAW-HNNXBMFYSA-N 0 1 269.392 3.595 20 0 CHADMN FC(F)(F)c1cccc2c1CN(C[C@H]1CCC=CO1)CC2 ZINC000862530504 1123816302 /nfs/dbraw/zinc/81/63/02/1123816302.db2.gz NWEVGBKXFMMIEK-CYBMUJFWSA-N 0 1 297.320 3.756 20 0 CHADMN c1oc(C2CC2)nc1CN1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000862529476 1123816928 /nfs/dbraw/zinc/81/69/28/1123816928.db2.gz SWGLECNESRMKNW-RYQLBKOJSA-N 0 1 294.398 3.788 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCN1CC1=Cc2ccccc2OC1 ZINC000475271301 1123832071 /nfs/dbraw/zinc/83/20/71/1123832071.db2.gz CCMVGDNIHUHDLL-BXUZGUMPSA-N 0 1 297.320 3.735 20 0 CHADMN C/C(=C\c1ccccc1)CN1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000475287161 1123835085 /nfs/dbraw/zinc/83/50/85/1123835085.db2.gz UCXAEYOWWZXVFE-MHZPLBOYSA-N 0 1 271.404 3.589 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000475375349 1123853465 /nfs/dbraw/zinc/85/34/65/1123853465.db2.gz PROLZYFUILTESC-NWDGAFQWSA-N 0 1 274.339 3.711 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1ccc(C)cn1 ZINC000475383571 1123854160 /nfs/dbraw/zinc/85/41/60/1123854160.db2.gz MWSQSUHQFKUEQG-LFIBNONCSA-N 0 1 266.388 3.925 20 0 CHADMN O=C(NCCCC1CCCC1)c1ccc(O)c(Cl)c1 ZINC000031145492 1123857016 /nfs/dbraw/zinc/85/70/16/1123857016.db2.gz OVCWUZKTEMYGFO-UHFFFAOYSA-N 0 1 281.783 3.746 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(C)oc2C)cc1 ZINC000119392277 1123858139 /nfs/dbraw/zinc/85/81/39/1123858139.db2.gz ZZHIFGBTDFMWLJ-LBPRGKRZSA-N 0 1 259.349 3.756 20 0 CHADMN CCC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C1CCC1 ZINC000325252504 1123861564 /nfs/dbraw/zinc/86/15/64/1123861564.db2.gz ZGQUYIOSDIBVNB-CYBMUJFWSA-N 0 1 281.783 3.744 20 0 CHADMN C/C=C/C[C@H]1CCCN(Cn2cc(C)cnc2=S)C1 ZINC000863341602 1123862264 /nfs/dbraw/zinc/86/22/64/1123862264.db2.gz SWMDFPOSUVDFOC-XGACYXMMSA-N 0 1 277.437 3.557 20 0 CHADMN C[C@H](CC(C)(C)c1ccccc1)Nc1ncnc2[nH]cnc21 ZINC000301116038 1123876688 /nfs/dbraw/zinc/87/66/88/1123876688.db2.gz MFIQCDIJTRRBAC-GFCCVEGCSA-N 0 1 295.390 3.521 20 0 CHADMN CCN[C@H](C)c1nc(-c2ccc(O[C@H](C)CC)cc2)no1 ZINC000863661817 1123886245 /nfs/dbraw/zinc/88/62/45/1123886245.db2.gz QIWDMQTWTNXFRC-VXGBXAGGSA-N 0 1 289.379 3.584 20 0 CHADMN Cc1cc(C)n(CCCNc2ccnc3cc(F)ccc32)n1 ZINC000301290397 1123887767 /nfs/dbraw/zinc/88/77/67/1123887767.db2.gz SZLAOOFHKJZBND-UHFFFAOYSA-N 0 1 298.365 3.689 20 0 CHADMN COc1cccc(OC)c1[C@H](C)N[C@H](C)CC(F)(F)F ZINC000713924594 1123888890 /nfs/dbraw/zinc/88/88/90/1123888890.db2.gz FQXQNDCIGHVAOX-ZJUUUORDSA-N 0 1 291.313 3.695 20 0 CHADMN COCC1(C)CCN(Cc2cccc(F)c2Cl)CC1 ZINC000339062505 1123895797 /nfs/dbraw/zinc/89/57/97/1123895797.db2.gz FRWNXPQQUQQJBV-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN CCCC[C@H](c1nc(C2(N)CCCC2)no1)C(C)C ZINC000621246101 1129152855 /nfs/dbraw/zinc/15/28/55/1129152855.db2.gz LJNVQIFPKYYYBB-LBPRGKRZSA-N 0 1 265.401 3.727 20 0 CHADMN CCC[C@H](CCO)CNc1cc(C)nc2ccc(F)cc21 ZINC000301667996 1123922267 /nfs/dbraw/zinc/92/22/67/1123922267.db2.gz MOKWWBCKLNARDN-CYBMUJFWSA-N 0 1 290.382 3.893 20 0 CHADMN Cc1ccc(CN(C)c2ccnc3cc(F)ccc32)o1 ZINC000301704630 1123925106 /nfs/dbraw/zinc/92/51/06/1123925106.db2.gz AXTVUOZSYLSGLK-UHFFFAOYSA-N 0 1 270.307 3.912 20 0 CHADMN Fc1ccc2c(c1)nccc2N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000301805110 1123934898 /nfs/dbraw/zinc/93/48/98/1123934898.db2.gz DWJIZXSGPYXWMP-XYPHTWIQSA-N 0 1 298.361 3.743 20 0 CHADMN Cc1cnc(=S)n(CN2CCC[C@@H](C(C)(C)C)C2)c1 ZINC000794707634 1123939506 /nfs/dbraw/zinc/93/95/06/1123939506.db2.gz VWPARUKRQXMNCL-CYBMUJFWSA-N 0 1 279.453 3.637 20 0 CHADMN Fc1ccc(C2(NCc3cncc(Cl)c3)CC2)cc1 ZINC000621266448 1129155047 /nfs/dbraw/zinc/15/50/47/1129155047.db2.gz MBWJBLISDMWDOO-UHFFFAOYSA-N 0 1 276.742 3.653 20 0 CHADMN CCN(C[C@H]1CCCO1)c1cc(C)nc2ccc(F)cc21 ZINC000302000343 1123948672 /nfs/dbraw/zinc/94/86/72/1123948672.db2.gz VVWFTJKATYLBHX-CQSZACIVSA-N 0 1 288.366 3.688 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(Br)cn1)c1ccc[nH]1 ZINC000794819321 1123960412 /nfs/dbraw/zinc/96/04/12/1123960412.db2.gz WEQQJCUQZVYSPW-NXEZZACHSA-N 0 1 294.196 3.584 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1NCc1cccnc1F ZINC000794826729 1123962410 /nfs/dbraw/zinc/96/24/10/1123962410.db2.gz DVAYCOAULLKKCN-MLGOLLRUSA-N 0 1 270.351 3.634 20 0 CHADMN Cc1cccc(NCC2(c3ccc(F)cc3)CC2)n1 ZINC000302234581 1123963344 /nfs/dbraw/zinc/96/33/44/1123963344.db2.gz GTMMDEKARDSOHF-UHFFFAOYSA-N 0 1 256.324 3.673 20 0 CHADMN CCO[C@H](CCNc1cccc(C)n1)C1CCCC1 ZINC000302243392 1123964533 /nfs/dbraw/zinc/96/45/33/1123964533.db2.gz PZQIOHDTMAPDEH-OAHLLOKOSA-N 0 1 262.397 3.787 20 0 CHADMN Brc1sccc1CNc1nccn1C1CC1 ZINC000865293563 1123970313 /nfs/dbraw/zinc/97/03/13/1123970313.db2.gz MMDYSYQPDMPRCS-UHFFFAOYSA-N 0 1 298.209 3.654 20 0 CHADMN Fc1ncccc1CN[C@@H]1CCc2cc(Cl)ccc21 ZINC000794836184 1123972363 /nfs/dbraw/zinc/97/23/63/1123972363.db2.gz SLTRGUXJSRYZLD-CQSZACIVSA-N 0 1 276.742 3.651 20 0 CHADMN Cc1nsc(Nc2cnn(-c3ccccc3)c2C(C)C)n1 ZINC000302723534 1123980254 /nfs/dbraw/zinc/98/02/54/1123980254.db2.gz MKDLNMZEXVZJFZ-UHFFFAOYSA-N 0 1 299.403 3.899 20 0 CHADMN CC[C@H](NCc1cn(C2CC2)cn1)c1ccc(C)cc1 ZINC000865402438 1123981361 /nfs/dbraw/zinc/98/13/61/1123981361.db2.gz ZFDMHTTYHLRJAI-KRWDZBQOSA-N 0 1 269.392 3.767 20 0 CHADMN Cc1cc([C@@H]2CCCN2c2ccncc2C(F)(F)F)no1 ZINC000865432437 1123983962 /nfs/dbraw/zinc/98/39/62/1123983962.db2.gz DRRTZSUCYRNVEW-ZDUSSCGKSA-N 0 1 297.280 3.738 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1cc2c(cc[nH]c2=O)o1 ZINC000865435182 1123984188 /nfs/dbraw/zinc/98/41/88/1123984188.db2.gz ZFZMPOPHXHDUIM-INIZCTEOSA-N 0 1 294.354 3.619 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1cnc(Cl)c(F)c1 ZINC000865435080 1123984211 /nfs/dbraw/zinc/98/42/11/1123984211.db2.gz YBNFLASNKUKTOS-CQSZACIVSA-N 0 1 294.732 3.790 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cnc(Cl)c(F)c1)CC2 ZINC000865455335 1123986506 /nfs/dbraw/zinc/98/65/06/1123986506.db2.gz YTYXMAVVIBLSOB-CQSZACIVSA-N 0 1 294.732 3.790 20 0 CHADMN Cc1c(Cl)cccc1CN[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000865514948 1123991758 /nfs/dbraw/zinc/99/17/58/1123991758.db2.gz VPTQFDSIHCXNRG-LLVKDONJSA-N 0 1 292.814 3.741 20 0 CHADMN c1cn(C2CC2)c(NCc2ccc(C3CC3)cc2)n1 ZINC000840886593 1123996152 /nfs/dbraw/zinc/99/61/52/1123996152.db2.gz IGYZBSJZTFOORA-UHFFFAOYSA-N 0 1 253.349 3.708 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCOCC1(C)C ZINC000475500263 1123997884 /nfs/dbraw/zinc/99/78/84/1123997884.db2.gz FCTWMEVTMBWDTE-UHFFFAOYSA-N 0 1 287.325 3.625 20 0 CHADMN COc1ccc(-c2nc(CN3CC[C@@H](C)C3)cs2)cc1 ZINC000261380699 1124002278 /nfs/dbraw/zinc/00/22/78/1124002278.db2.gz DBZWYFFJCZNYHM-GFCCVEGCSA-N 0 1 288.416 3.661 20 0 CHADMN Cc1cnc(CN[C@H]2CCc3cc(C)cc(C)c32)s1 ZINC000655718892 1124002338 /nfs/dbraw/zinc/00/23/38/1124002338.db2.gz FULDDFFDFTYHKV-AWEZNQCLSA-N 0 1 272.417 3.845 20 0 CHADMN C[C@H]1CN(c2ccncc2C(F)(F)F)CCC1(F)F ZINC000865815585 1124016840 /nfs/dbraw/zinc/01/68/40/1124016840.db2.gz FEOVARRTRLIBNW-QMMMGPOBSA-N 0 1 280.240 3.582 20 0 CHADMN CC(C)c1cccc(N(C)C(=O)c2cccc3nc[nH]c32)c1 ZINC000159177074 1129161288 /nfs/dbraw/zinc/16/12/88/1129161288.db2.gz JOFJFYKAWPHSEP-UHFFFAOYSA-N 0 1 293.370 3.963 20 0 CHADMN CC(C)(C)[C@H]1CCCC[C@@H]1NCc1noc(C2CC2)n1 ZINC000108367255 1124026342 /nfs/dbraw/zinc/02/63/42/1124026342.db2.gz WKQJBEJOTHWZQY-STQMWFEESA-N 0 1 277.412 3.642 20 0 CHADMN CCC1(CC)[C@H](NCc2ncc(C(C)C)o2)[C@@H](C)[C@@H]1OC ZINC000759612111 1124028551 /nfs/dbraw/zinc/02/85/51/1124028551.db2.gz LMTSESBGHXLTHU-WQVCFCJDSA-N 0 1 294.439 3.727 20 0 CHADMN Cc1cc(C)cc(CN2CCn3cccc3[C@H]2C)c1 ZINC000105031218 1124032326 /nfs/dbraw/zinc/03/23/26/1124032326.db2.gz DPUNBUJSPLDXAG-OAHLLOKOSA-N 0 1 254.377 3.682 20 0 CHADMN Cc1cc(C)cc(CN2CCn3cccc3[C@@H]2C)c1 ZINC000105031215 1124032737 /nfs/dbraw/zinc/03/27/37/1124032737.db2.gz DPUNBUJSPLDXAG-HNNXBMFYSA-N 0 1 254.377 3.682 20 0 CHADMN Cc1noc(C)c1CN[C@H]1c2cc(F)ccc2CC[C@H]1C ZINC000866243136 1124040746 /nfs/dbraw/zinc/04/07/46/1124040746.db2.gz STPYOZQPOIQYDQ-BMLIUANNSA-N 0 1 288.366 3.844 20 0 CHADMN Cc1cc(CN[C@@H]2c3cc(F)ccc3CC[C@H]2C)on1 ZINC000866261897 1124042845 /nfs/dbraw/zinc/04/28/45/1124042845.db2.gz YCRMLMSKEDGCOA-HWPZZCPQSA-N 0 1 274.339 3.535 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccncc1F)CCC2 ZINC000336221508 1124044477 /nfs/dbraw/zinc/04/44/77/1124044477.db2.gz MKEZYJDWROCJAX-KRWDZBQOSA-N 0 1 270.351 3.696 20 0 CHADMN CC[C@H](C(=O)N1C[C@H](C(C)(C)C)c2ccccc21)N(C)C ZINC000444637547 1124047146 /nfs/dbraw/zinc/04/71/46/1124047146.db2.gz RJGXAADUOIPDND-LSDHHAIUSA-N 0 1 288.435 3.503 20 0 CHADMN CCC(CC)n1ccc(CN[C@H]2CC(C)(C)OC2(C)C)n1 ZINC000444648231 1124048183 /nfs/dbraw/zinc/04/81/83/1124048183.db2.gz XSICVTBNJVCNFI-HNNXBMFYSA-N 0 1 293.455 3.680 20 0 CHADMN CCN(Cc1n[nH]c(C(C)C)n1)c1cc(C)ccc1C ZINC000428374806 1124049737 /nfs/dbraw/zinc/04/97/37/1124049737.db2.gz QVSNSZGQJRYUSL-UHFFFAOYSA-N 0 1 272.396 3.571 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1Cc1nncn1-c1ccccc1 ZINC000444668988 1124051966 /nfs/dbraw/zinc/05/19/66/1124051966.db2.gz VFYPDKNXNBIRIE-WBVHZDCISA-N 0 1 298.434 3.668 20 0 CHADMN C[C@@H](NCc1ccc(-c2cccs2)cc1)c1cnn(C)c1 ZINC000444682999 1124053263 /nfs/dbraw/zinc/05/32/63/1124053263.db2.gz CUEDOBKQRPDJFH-CYBMUJFWSA-N 0 1 297.427 3.999 20 0 CHADMN CCSCCN(C)Cc1cc(Cl)ccc1F ZINC000444698191 1124055009 /nfs/dbraw/zinc/05/50/09/1124055009.db2.gz ZYGALSXCKSQFQV-UHFFFAOYSA-N 0 1 261.793 3.664 20 0 CHADMN FC(F)C1CCC(N[C@@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866374023 1124059145 /nfs/dbraw/zinc/05/91/45/1124059145.db2.gz ZRNRWMKFIYWSBV-VFDCVBMRSA-N 0 1 299.336 3.872 20 0 CHADMN FC(F)C1CCC(N[C@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866374020 1124059413 /nfs/dbraw/zinc/05/94/13/1124059413.db2.gz ZRNRWMKFIYWSBV-CHYWNLSLSA-N 0 1 299.336 3.872 20 0 CHADMN CC(C)[C@@H](N[C@@H]1COCc2ccccc21)c1ccccn1 ZINC000866375616 1124059442 /nfs/dbraw/zinc/05/94/42/1124059442.db2.gz DMZABFZGCZKWTG-QZTJIDSGSA-N 0 1 282.387 3.640 20 0 CHADMN Cn1c2ccc(Cl)cc2nc1CN1CCCC12CCC2 ZINC000444781456 1124059724 /nfs/dbraw/zinc/05/97/24/1124059724.db2.gz PBRQIHSEGVVVPW-UHFFFAOYSA-N 0 1 289.810 3.745 20 0 CHADMN CSCC1(CCN[C@@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866387215 1124061238 /nfs/dbraw/zinc/06/12/38/1124061238.db2.gz QEMRBTMKERTUBQ-UKRRQHHQSA-N 0 1 295.423 3.581 20 0 CHADMN CC(C)[C@H](NCc1c(C2CCC2)cnn1C)c1ccccn1 ZINC000866392290 1124061701 /nfs/dbraw/zinc/06/17/01/1124061701.db2.gz BLCMRTRBHNYFFT-SFHVURJKSA-N 0 1 298.434 3.570 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCCC12CCC2 ZINC000444795134 1124064744 /nfs/dbraw/zinc/06/47/44/1124064744.db2.gz XGPSPNJMOJCKNS-UHFFFAOYSA-N 0 1 253.748 3.998 20 0 CHADMN Cc1cccc(CN(C)C[C@H](OC(C)C)c2ccccc2)n1 ZINC000428383043 1124070214 /nfs/dbraw/zinc/07/02/14/1124070214.db2.gz QPXFNMMQVKVUNR-IBGZPJMESA-N 0 1 298.430 3.988 20 0 CHADMN CCCc1ccc(CN[C@H](CO)c2ccc(F)cc2)s1 ZINC000621336047 1129164327 /nfs/dbraw/zinc/16/43/27/1129164327.db2.gz IQPCLYWJCKLTJF-MRXNPFEDSA-N 0 1 293.407 3.663 20 0 CHADMN CS[C@H]1C[C@H](N[C@H](c2ccccc2)c2ccccn2)C1 ZINC000866488120 1124072740 /nfs/dbraw/zinc/07/27/40/1124072740.db2.gz KHUVZBQCDYHYCF-BFYDXBDKSA-N 0 1 284.428 3.655 20 0 CHADMN CC1(C)CC(N[C@@H](CO)c2c(Cl)cccc2Cl)C1 ZINC000475621956 1124073749 /nfs/dbraw/zinc/07/37/49/1124073749.db2.gz HZHATYSLSGBEDT-LBPRGKRZSA-N 0 1 288.218 3.805 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2cnn(C(C)C)c2C)s1 ZINC000631708892 1124075592 /nfs/dbraw/zinc/07/55/92/1124075592.db2.gz RCNQSFJOIMLNHP-GHMZBOCLSA-N 0 1 292.452 3.949 20 0 CHADMN Cc1ccccc1[C@@H](NCc1nccnc1C)C(C)(C)C ZINC000621339579 1129164933 /nfs/dbraw/zinc/16/49/33/1129164933.db2.gz DQVGCBWYDXTUFU-QGZVFWFLSA-N 0 1 283.419 3.970 20 0 CHADMN Cc1nc([C@@H](C)NCCSCCC(F)(F)F)cs1 ZINC000866542183 1124081272 /nfs/dbraw/zinc/08/12/72/1124081272.db2.gz BFBZLAYSEXGVQS-MRVPVSSYSA-N 0 1 298.399 3.788 20 0 CHADMN Cc1[nH]ncc1[C@H](C)Nc1ccc(C2CC2)cc1F ZINC000866610222 1124087582 /nfs/dbraw/zinc/08/75/82/1124087582.db2.gz XWHBRHVJGMAKPO-VIFPVBQESA-N 0 1 259.328 3.908 20 0 CHADMN Cc1nc([C@H](C)NC2([C@@H]3CCCCO3)CCC2)cs1 ZINC000866621784 1124090081 /nfs/dbraw/zinc/09/00/81/1124090081.db2.gz JYKWHVDTRYVXMV-FZMZJTMJSA-N 0 1 280.437 3.594 20 0 CHADMN CC[C@H](CN(C)Cc1cc(C)on1)c1ccccc1 ZINC000508535257 1124090331 /nfs/dbraw/zinc/09/03/31/1124090331.db2.gz RTBJJGNAOXRQNL-CQSZACIVSA-N 0 1 258.365 3.609 20 0 CHADMN Cc1cncc([C@@H](C)N[C@@H](C)c2cc3cnccc3o2)c1 ZINC000866621501 1124090419 /nfs/dbraw/zinc/09/04/19/1124090419.db2.gz SDRPCALEVFVCCW-OLZOCXBDSA-N 0 1 281.359 3.943 20 0 CHADMN Cc1nc([C@@H](C)NC2([C@H]3CCCCO3)CCC2)cs1 ZINC000866621783 1124090637 /nfs/dbraw/zinc/09/06/37/1124090637.db2.gz JYKWHVDTRYVXMV-BXUZGUMPSA-N 0 1 280.437 3.594 20 0 CHADMN Cc1nc([C@H](C)NC2([C@@H]3CCCCO3)CCC2)c(C)s1 ZINC000866623230 1124091080 /nfs/dbraw/zinc/09/10/80/1124091080.db2.gz SHXDPNPJUWLQNI-FZMZJTMJSA-N 0 1 294.464 3.902 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1nc(-c2coc3ccccc23)no1 ZINC000445571123 1124091494 /nfs/dbraw/zinc/09/14/94/1124091494.db2.gz LGXMMLKRDXSSIY-TXEJJXNPSA-N 0 1 297.358 3.856 20 0 CHADMN CCc1ccccc1CN(C)Cc1c(C)nc2sccn12 ZINC000445810267 1124102251 /nfs/dbraw/zinc/10/22/51/1124102251.db2.gz ITPOIZCPXOFNBY-UHFFFAOYSA-N 0 1 299.443 3.899 20 0 CHADMN c1ccc(-c2noc(CN3CCCC4(CCCC4)C3)n2)cc1 ZINC000445858058 1124104149 /nfs/dbraw/zinc/10/41/49/1124104149.db2.gz SRIJQUNQSJMUNT-UHFFFAOYSA-N 0 1 297.402 3.893 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000086784625 1129166556 /nfs/dbraw/zinc/16/65/56/1129166556.db2.gz JUABXEUXTCONRZ-LRDDRELGSA-N 0 1 295.810 3.978 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNCc2ccc3nccnc3c2)o1 ZINC000634954074 1129166693 /nfs/dbraw/zinc/16/66/93/1129166693.db2.gz SBXVHZXCMMZOGN-SWLSCSKDSA-N 0 1 293.370 3.636 20 0 CHADMN COc1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000446147828 1124109685 /nfs/dbraw/zinc/10/96/85/1124109685.db2.gz XBDXBBDGYUXCJD-UHFFFAOYSA-N 0 1 293.248 3.652 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2n[nH]c(C(C)C)n2)cc1 ZINC000428440619 1124113422 /nfs/dbraw/zinc/11/34/22/1124113422.db2.gz FLOVVZVEQYWADT-HNNXBMFYSA-N 0 1 284.407 3.574 20 0 CHADMN CCC(CC)N(CCOC)Cc1cc(F)c(F)cc1F ZINC000508563624 1124113833 /nfs/dbraw/zinc/11/38/33/1124113833.db2.gz LELRQKANIDVVRO-UHFFFAOYSA-N 0 1 289.341 3.741 20 0 CHADMN Cc1noc(C(C)C)c1NC(=O)c1c(O)cccc1Cl ZINC000928786979 1124115292 /nfs/dbraw/zinc/11/52/92/1124115292.db2.gz YGMNRBHSHLHRFD-UHFFFAOYSA-N 0 1 294.738 3.718 20 0 CHADMN CCC(CC)[N@@H+](CCOC)Cc1c(F)cccc1F ZINC000508569963 1124117127 /nfs/dbraw/zinc/11/71/27/1124117127.db2.gz PQNVRJCOAZYTPK-UHFFFAOYSA-N 0 1 271.351 3.602 20 0 CHADMN CCC(CC)N(CCOC)Cc1c(F)cccc1F ZINC000508569963 1124117128 /nfs/dbraw/zinc/11/71/28/1124117128.db2.gz PQNVRJCOAZYTPK-UHFFFAOYSA-N 0 1 271.351 3.602 20 0 CHADMN CC(C)CCc1noc(CN2CCC[C@@H]2C(C)(C)C)n1 ZINC000525271778 1124119128 /nfs/dbraw/zinc/11/91/28/1124119128.db2.gz PPKLLOPDUXDHHH-CYBMUJFWSA-N 0 1 279.428 3.669 20 0 CHADMN Cc1ccc(NC(=O)CN2CCC[C@H]2C(C)(C)C)c(F)c1 ZINC000525273937 1124119840 /nfs/dbraw/zinc/11/98/40/1124119840.db2.gz OHDXEJGVYNBCNH-HNNXBMFYSA-N 0 1 292.398 3.583 20 0 CHADMN COc1ccc(Cl)cc1CN1CCC(C)(C)C1 ZINC000525283796 1124121006 /nfs/dbraw/zinc/12/10/06/1124121006.db2.gz MTYSVDCJZPCHMC-UHFFFAOYSA-N 0 1 253.773 3.581 20 0 CHADMN CC[C@]1(C)CCCN(Cc2cn3cc(C)ccc3n2)C1 ZINC000525283540 1124121149 /nfs/dbraw/zinc/12/11/49/1124121149.db2.gz PUXPPQCWDJYTGU-QGZVFWFLSA-N 0 1 271.408 3.655 20 0 CHADMN CCC1(CC)CCN(CC(=O)Nc2cc(C)ccc2C)C1 ZINC000446730842 1124121186 /nfs/dbraw/zinc/12/11/86/1124121186.db2.gz AIFYOUAHJOLDQE-UHFFFAOYSA-N 0 1 288.435 3.754 20 0 CHADMN CCSc1cc(CN[C@H]2CCCc3occc32)ccn1 ZINC000193316271 1124125052 /nfs/dbraw/zinc/12/50/52/1124125052.db2.gz QGZWVPVWTYSLKT-AWEZNQCLSA-N 0 1 288.416 3.954 20 0 CHADMN COc1ccc(F)cc1CN[C@H]1CCc2ccccc21 ZINC000193339643 1124126115 /nfs/dbraw/zinc/12/61/15/1124126115.db2.gz MFFJGUQLPHTARJ-INIZCTEOSA-N 0 1 271.335 3.611 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1csc(Cc2ccccc2)n1 ZINC000525407674 1124126819 /nfs/dbraw/zinc/12/68/19/1124126819.db2.gz DYQOXSAHJANAFI-UONOGXRCSA-N 0 1 286.444 3.964 20 0 CHADMN CCc1ccc(-c2noc(CN3C[C@H](C)C[C@H]3C)n2)cc1 ZINC000525407716 1124127007 /nfs/dbraw/zinc/12/70/07/1124127007.db2.gz GTYKGDMPJHYBAM-CHWSQXEVSA-N 0 1 285.391 3.529 20 0 CHADMN CC(C)c1nc(CN(C)Cc2cccc3ccccc32)n[nH]1 ZINC000428458273 1124128267 /nfs/dbraw/zinc/12/82/67/1124128267.db2.gz BIAPXGZGPSZWAK-UHFFFAOYSA-N 0 1 294.402 3.713 20 0 CHADMN CCN(Cc1n[nH]c(C(C)C)n1)Cc1ccccc1Cl ZINC000428459879 1124128716 /nfs/dbraw/zinc/12/87/16/1124128716.db2.gz KDGUBFGJHXHCQX-UHFFFAOYSA-N 0 1 292.814 3.604 20 0 CHADMN CC[C@H](N[C@H](CO)c1cccc(F)c1)c1cccc(F)c1 ZINC000446926607 1124128720 /nfs/dbraw/zinc/12/87/20/1124128720.db2.gz ZJLJCFOEBVZZQH-DLBZAZTESA-N 0 1 291.341 3.739 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CCC(OCC(C)C)CC1 ZINC000428463454 1124130012 /nfs/dbraw/zinc/13/00/12/1124130012.db2.gz NTQWYSJPPGSRJP-UHFFFAOYSA-N 0 1 294.439 3.743 20 0 CHADMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1c(F)cccc1F ZINC000447078932 1124131505 /nfs/dbraw/zinc/13/15/05/1124131505.db2.gz RZVDMRSMAKVXCP-UHFFFAOYSA-N 0 1 293.361 3.617 20 0 CHADMN CC(C)(CNCc1ccon1)c1ccc(F)cc1Cl ZINC000634960860 1129167884 /nfs/dbraw/zinc/16/78/84/1129167884.db2.gz DWSPASQEFVLUSH-UHFFFAOYSA-N 0 1 282.746 3.535 20 0 CHADMN Cc1ccccc1C[C@H](C)N(C)Cc1ccn(C(F)F)n1 ZINC000447076292 1124132365 /nfs/dbraw/zinc/13/23/65/1124132365.db2.gz GVIXACHDJWLOCO-ZDUSSCGKSA-N 0 1 293.361 3.650 20 0 CHADMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccc(F)c(F)c1 ZINC000447096675 1124132991 /nfs/dbraw/zinc/13/29/91/1124132991.db2.gz IVGDRGBYGPJEDZ-UHFFFAOYSA-N 0 1 293.361 3.617 20 0 CHADMN CCc1cc(C(=O)N2CCCC[C@@H]2c2ccc(C)cc2)n[nH]1 ZINC000525609731 1124134602 /nfs/dbraw/zinc/13/46/02/1124134602.db2.gz SGMASMLTEGVMES-QGZVFWFLSA-N 0 1 297.402 3.648 20 0 CHADMN COCCCCCN[C@@H](C(F)F)C1CCCCC1 ZINC000621404333 1129173376 /nfs/dbraw/zinc/17/33/76/1129173376.db2.gz PIWWHNWSTPZTII-CYBMUJFWSA-N 0 1 263.372 3.607 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1cccc(-c2ccccc2)c1 ZINC000414675436 1129175186 /nfs/dbraw/zinc/17/51/86/1129175186.db2.gz GJDICHTZWFJPHS-UHFFFAOYSA-N 0 1 283.371 3.650 20 0 CHADMN Cc1cc(F)cc(CN2CCC3(CCOC3)CC2)c1Cl ZINC001238775574 1131245369 /nfs/dbraw/zinc/24/53/69/1131245369.db2.gz BUVJFGVKGFVJGS-UHFFFAOYSA-N 0 1 297.801 3.790 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@](C)(O)[C@@H](C)C1 ZINC001238781926 1131246570 /nfs/dbraw/zinc/24/65/70/1131246570.db2.gz XFEGUFCXWHJENH-LRDDRELGSA-N 0 1 299.817 3.770 20 0 CHADMN O=c1cc(C2CCC2)[nH]n1-c1ccc(F)cc1Cl ZINC001245925205 1131248042 /nfs/dbraw/zinc/24/80/42/1131248042.db2.gz JEVZATCSKMIREY-UHFFFAOYSA-N 0 1 266.703 3.638 20 0 CHADMN CCCCN(C)Cc1cc(Cl)c(OC)cc1F ZINC001238789320 1131249166 /nfs/dbraw/zinc/24/91/66/1131249166.db2.gz VVKQLDBKNYFAAW-UHFFFAOYSA-N 0 1 259.752 3.720 20 0 CHADMN O=c1cc(C2CC(F)(F)C2)[nH]n1-c1cccc(Cl)c1 ZINC001245924835 1131250127 /nfs/dbraw/zinc/25/01/27/1131250127.db2.gz LYKOMJDCIOVEDF-UHFFFAOYSA-N 0 1 284.693 3.744 20 0 CHADMN CC(C)CCC[C@@H]([NH2+]Cc1csc(C(C)C)n1)C(=O)[O-] ZINC001119549040 1131257992 /nfs/dbraw/zinc/25/79/92/1131257992.db2.gz CSLCCIPVIWJRRG-CYBMUJFWSA-N 0 1 298.452 3.636 20 0 CHADMN C[C@@H]1CCCN(Cc2cccc(Cl)c2Cl)[C@@H]1CO ZINC000447311258 1124461569 /nfs/dbraw/zinc/46/15/69/1124461569.db2.gz GIRBJWDNYMCELA-ZWNOBZJWSA-N 0 1 288.218 3.586 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2nc(C(C)(C)C)cs2)C1 ZINC000447293309 1124460874 /nfs/dbraw/zinc/46/08/74/1124460874.db2.gz VHKIPIUADORZSA-TXEJJXNPSA-N 0 1 266.454 3.919 20 0 CHADMN Cc1nnsc1[C@@H](C)N[C@H](c1ccccc1C)C1CC1 ZINC001119698968 1131261623 /nfs/dbraw/zinc/26/16/23/1131261623.db2.gz YYXYHHKCZCJPQK-ABAIWWIYSA-N 0 1 287.432 3.957 20 0 CHADMN Cc1cc2c(cc1C)N(C(=O)c1[nH]cnc1C(C)(C)C)CC2 ZINC000868262721 1124464200 /nfs/dbraw/zinc/46/42/00/1124464200.db2.gz NKUSOFPTDJVVPI-UHFFFAOYSA-N 0 1 297.402 3.527 20 0 CHADMN CC[C@H](O)[C@@H]1CCCCN1Cc1cc(F)ccc1Cl ZINC000525834171 1124469528 /nfs/dbraw/zinc/46/95/28/1124469528.db2.gz FJPQCTGLUHPXFD-GJZGRUSLSA-N 0 1 285.790 3.605 20 0 CHADMN CC[C@H](O)[C@H]1CCCCN1Cc1cc(F)ccc1Cl ZINC000525834170 1124469538 /nfs/dbraw/zinc/46/95/38/1124469538.db2.gz FJPQCTGLUHPXFD-CABCVRRESA-N 0 1 285.790 3.605 20 0 CHADMN CC[C@@H](C)Oc1cc(C)ccc1CNCC1(F)CC1 ZINC000525988579 1124492362 /nfs/dbraw/zinc/49/23/62/1124492362.db2.gz XHYYYKMWXPPPNP-CYBMUJFWSA-N 0 1 265.372 3.764 20 0 CHADMN CC[C@H](N[C@@H](C)c1snnc1C)c1ccc(OC)cc1 ZINC001119767927 1131263677 /nfs/dbraw/zinc/26/36/77/1131263677.db2.gz BVGFJYURKWOLSQ-HZMBPMFUSA-N 0 1 291.420 3.657 20 0 CHADMN C[C@@H](O)c1ccc(CNc2cc[nH+]c3c([O-])cccc23)cc1 ZINC000795072275 1124510171 /nfs/dbraw/zinc/51/01/71/1124510171.db2.gz JHJDERNKDSNDBI-GFCCVEGCSA-N 0 1 294.354 3.606 20 0 CHADMN COc1cc(CN2CC[C@H]2c2ccccc2)ccc1C ZINC000447702583 1124512784 /nfs/dbraw/zinc/51/27/84/1124512784.db2.gz DALKMZRFYHCKOA-KRWDZBQOSA-N 0 1 267.372 3.951 20 0 CHADMN CC(C)Oc1ccc(CN2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000447826119 1124528406 /nfs/dbraw/zinc/52/84/06/1124528406.db2.gz HOLLSJSFJFLVFB-QGZVFWFLSA-N 0 1 291.435 3.721 20 0 CHADMN CCN(Cc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000527053502 1124547435 /nfs/dbraw/zinc/54/74/35/1124547435.db2.gz YXLMUZIWHVTZKV-UHFFFAOYSA-N 0 1 251.333 3.589 20 0 CHADMN CC1(C)C[C@H](c2ccccc2)N(CN2CCSC2=O)C1 ZINC000819901082 1131267540 /nfs/dbraw/zinc/26/75/40/1131267540.db2.gz QXSTWMJNRIHQSS-CQSZACIVSA-N 0 1 290.432 3.586 20 0 CHADMN CC(C)(C)c1n[nH]c(SC[C@@H]2CCC3(CCCC3)O2)n1 ZINC000527059200 1124547776 /nfs/dbraw/zinc/54/77/76/1124547776.db2.gz HXVPPRXVXYBWMW-NSHDSACASA-N 0 1 295.452 3.686 20 0 CHADMN CC(C)(C)c1nc(SC[C@@H]2CCC3(CCCC3)O2)n[nH]1 ZINC000527059200 1124547779 /nfs/dbraw/zinc/54/77/79/1124547779.db2.gz HXVPPRXVXYBWMW-NSHDSACASA-N 0 1 295.452 3.686 20 0 CHADMN C[C@@H](C1CC1)N(Cc1ccn(-c2ccccc2F)n1)C1CC1 ZINC000527075037 1124549589 /nfs/dbraw/zinc/54/95/89/1124549589.db2.gz WIGFMDRXJXTFOR-ZDUSSCGKSA-N 0 1 299.393 3.774 20 0 CHADMN CCS[C@H]1CCC[C@@H](NCc2nnc(C3CC3)s2)C1 ZINC001119955057 1131268280 /nfs/dbraw/zinc/26/82/80/1131268280.db2.gz YWHHRPOHCHAEKL-NEPJUHHUSA-N 0 1 297.493 3.569 20 0 CHADMN CCC[N@@H+](Cc1cnoc1C)[C@@H]1CCc2ccccc21 ZINC000527323923 1124568166 /nfs/dbraw/zinc/56/81/66/1124568166.db2.gz ZOULQTLPXCTHPX-QGZVFWFLSA-N 0 1 270.376 3.883 20 0 CHADMN Cc1cc(-c2ccc(CN(C)C)cn2)cnc1OCC(C)C ZINC001238920390 1131270292 /nfs/dbraw/zinc/27/02/92/1131270292.db2.gz LHWDKEUWZRGWRM-UHFFFAOYSA-N 0 1 299.418 3.548 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@H](C(C)(C)C)CC2)o1 ZINC000116308325 1124582440 /nfs/dbraw/zinc/58/24/40/1124582440.db2.gz JKBKZVHMYZIPAY-YPMHNXCESA-N 0 1 265.401 3.587 20 0 CHADMN CC(C)n1cc([C@@H](C)NCc2cc(O)cc(Cl)c2)cn1 ZINC001120024952 1131270795 /nfs/dbraw/zinc/27/07/95/1131270795.db2.gz PJLFSMBZOKRUBA-LLVKDONJSA-N 0 1 293.798 3.674 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@]3(C)CCC[C@@H]3C)cc2[nH]1 ZINC000448625363 1124599468 /nfs/dbraw/zinc/59/94/68/1124599468.db2.gz NESCMXBQANYJMM-MGPLVRAMSA-N 0 1 271.364 3.636 20 0 CHADMN CCOc1ccc2nc(SCc3nocc3C)[nH]c2c1 ZINC000871630704 1124620647 /nfs/dbraw/zinc/62/06/47/1124620647.db2.gz ORBLOYFSEFFLSG-UHFFFAOYSA-N 0 1 289.360 3.550 20 0 CHADMN COc1nccnc1CN1CCCCC[C@@H]1c1ccccc1 ZINC000449012964 1124628806 /nfs/dbraw/zinc/62/88/06/1124628806.db2.gz AABADOIIWRQBGF-QGZVFWFLSA-N 0 1 297.402 3.603 20 0 CHADMN Cc1cccc(CN2CCC[C@H]2c2ccc[nH]2)c1F ZINC000448995607 1124628889 /nfs/dbraw/zinc/62/88/89/1124628889.db2.gz QRPYZSQAPQTXCA-HNNXBMFYSA-N 0 1 258.340 3.799 20 0 CHADMN COc1cc(CN(C)Cc2csc(C)c2)cc(OC)c1 ZINC000449015934 1124629461 /nfs/dbraw/zinc/62/94/61/1124629461.db2.gz UMQKRWQSFFFLEH-UHFFFAOYSA-N 0 1 291.416 3.706 20 0 CHADMN CCn1nnc(C)c1CN1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000449016453 1124630219 /nfs/dbraw/zinc/63/02/19/1124630219.db2.gz NLLKEWHRQVFWBA-QGZVFWFLSA-N 0 1 298.434 3.560 20 0 CHADMN COc1cc(F)cc(CN2CCC[C@@H]2c2cccn2C)c1 ZINC000449009283 1124633054 /nfs/dbraw/zinc/63/30/54/1124633054.db2.gz UPZUMAMTFUMGEE-QGZVFWFLSA-N 0 1 288.366 3.510 20 0 CHADMN COc1cccc2c(CN3CCOC4(CCC4)C3)cccc12 ZINC000449031422 1124634818 /nfs/dbraw/zinc/63/48/18/1124634818.db2.gz VCEQDOCVHOQQPS-UHFFFAOYSA-N 0 1 297.398 3.603 20 0 CHADMN CC(C)[C@@](C)(Cc1ccccc1)c1nc([C@H]2CCCN2)no1 ZINC000871788620 1124637238 /nfs/dbraw/zinc/63/72/38/1124637238.db2.gz NQHKMOGFDKNUBG-CRAIPNDOSA-N 0 1 299.418 3.651 20 0 CHADMN CSCC[C@H](C)N(C)Cc1ccnn1C1CCCC1 ZINC000449025330 1124639837 /nfs/dbraw/zinc/63/98/37/1124639837.db2.gz BKTLVHCUQTZNEJ-ZDUSSCGKSA-N 0 1 281.469 3.572 20 0 CHADMN CC[C@@H](NCc1ccncc1F)c1cccs1 ZINC000449086729 1124644623 /nfs/dbraw/zinc/64/46/23/1124644623.db2.gz SVNNAHDZNDDMCY-GFCCVEGCSA-N 0 1 250.342 3.523 20 0 CHADMN C[C@H](Cc1coc2ccccc12)NCc1cscn1 ZINC000449106819 1124647664 /nfs/dbraw/zinc/64/76/64/1124647664.db2.gz KBPMVMOYNOSUSJ-LLVKDONJSA-N 0 1 272.373 3.610 20 0 CHADMN Fc1cc2c(c(F)c1F)[C@@H](NCCOC1CCCC1)CC2 ZINC000449103155 1124647694 /nfs/dbraw/zinc/64/76/94/1124647694.db2.gz OWEQUFWLMXHHAL-ZDUSSCGKSA-N 0 1 299.336 3.640 20 0 CHADMN c1nc(C2CC2)sc1CNc1ccc2c(n1)CCCC2 ZINC000871865825 1124648875 /nfs/dbraw/zinc/64/88/75/1124648875.db2.gz UFERGKFKZROYAV-UHFFFAOYSA-N 0 1 285.416 3.906 20 0 CHADMN COc1ccc([C@@H]2CC[N@@H+](C/C=C(/C)Cl)C2)cc1 ZINC000528369228 1124649341 /nfs/dbraw/zinc/64/93/41/1124649341.db2.gz ZHMNFHRSNVXESG-YRBHFNIASA-N 0 1 265.784 3.627 20 0 CHADMN CCCO[C@H]1CCCN(Cc2ncccc2Cl)CC1 ZINC000528381825 1124649446 /nfs/dbraw/zinc/64/94/46/1124649446.db2.gz OOXLYVHLPSVDTA-ZDUSSCGKSA-N 0 1 282.815 3.516 20 0 CHADMN CN(Cc1nccn1Cc1ccccc1)CC1CC(C)(C)C1 ZINC000528386960 1124650477 /nfs/dbraw/zinc/65/04/77/1124650477.db2.gz BUWPELILAIQFHW-UHFFFAOYSA-N 0 1 297.446 3.799 20 0 CHADMN CN(Cc1ccc(Br)c(F)c1F)C1CCC1 ZINC000528394341 1124651743 /nfs/dbraw/zinc/65/17/43/1124651743.db2.gz ZJTWNAVZQXIFSR-UHFFFAOYSA-N 0 1 290.151 3.712 20 0 CHADMN C[C@H](NCc1ccc(C(C)(C)C)s1)c1cnccn1 ZINC000871932511 1124653600 /nfs/dbraw/zinc/65/36/00/1124653600.db2.gz XHNXCWUOTJZVDY-NSHDSACASA-N 0 1 275.421 3.686 20 0 CHADMN CC(C)[C@@H]1CCc2[nH]n(-c3ccc(Cl)nc3)c(=O)c2C1 ZINC000871955348 1124654381 /nfs/dbraw/zinc/65/43/81/1124654381.db2.gz YHBJJAKKLJPDCZ-PWSUYJOCSA-N 0 1 291.782 3.510 20 0 CHADMN O=C1[C@@H]2CCCCC2=NN1c1cccc2ccccc21 ZINC000871946989 1124654638 /nfs/dbraw/zinc/65/46/38/1124654638.db2.gz MKAAEYODMJPPJO-CQSZACIVSA-N 0 1 264.328 3.733 20 0 CHADMN O=c1c2c([nH]n1-c1cccc3ccccc31)CCCC2 ZINC000871946989 1124654640 /nfs/dbraw/zinc/65/46/40/1124654640.db2.gz MKAAEYODMJPPJO-CQSZACIVSA-N 0 1 264.328 3.733 20 0 CHADMN CC(C)[C@@H]1CCC2=NN(c3cccc(Cl)n3)C(=O)[C@H]2C1 ZINC000871950478 1124654674 /nfs/dbraw/zinc/65/46/74/1124654674.db2.gz GGXOHGRXKLYTJA-MNOVXSKESA-N 0 1 291.782 3.510 20 0 CHADMN CC[C@@H](NCc1c(C)nnn1CC)c1ccc(Cl)s1 ZINC000449138411 1124655825 /nfs/dbraw/zinc/65/58/25/1124655825.db2.gz BYRVNRNQOGTQFP-SNVBAGLBSA-N 0 1 298.843 3.562 20 0 CHADMN C/C(Cl)=C\CNC1(c2nc(C)cs2)CCCC1 ZINC000528425185 1124662796 /nfs/dbraw/zinc/66/27/96/1124662796.db2.gz VNYZFHYZFGRMQB-BJMVGYQFSA-N 0 1 270.829 3.953 20 0 CHADMN CC[C@@H](NCc1cc(F)cc(OC)c1)c1c(C)noc1C ZINC000449210168 1124669292 /nfs/dbraw/zinc/66/92/92/1124669292.db2.gz GMROCYWSFHKCTQ-OAHLLOKOSA-N 0 1 292.354 3.680 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@H](C)c1cc(O)ccc1F ZINC000872063787 1124670985 /nfs/dbraw/zinc/67/09/85/1124670985.db2.gz ZWJQKXBGEAHXKX-RKDXNWHRSA-N 0 1 279.277 3.913 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@@H](C)c1cc(O)ccc1F ZINC000872062057 1124671044 /nfs/dbraw/zinc/67/10/44/1124671044.db2.gz CIZNBARPWFBNCM-SFYZADRCSA-N 0 1 265.250 3.523 20 0 CHADMN C[C@@H](CC(F)(F)F)N[C@@H](C)c1cccc(O)c1F ZINC000872062465 1124671410 /nfs/dbraw/zinc/67/14/10/1124671410.db2.gz HJHKXMFOTYNCJI-YUMQZZPRSA-N 0 1 265.250 3.523 20 0 CHADMN COc1cc(C)ccc1CNc1ccc2c(c1)CN(C)C2 ZINC000449223044 1124673941 /nfs/dbraw/zinc/67/39/41/1124673941.db2.gz NOOVJSUYBGUVBO-UHFFFAOYSA-N 0 1 282.387 3.561 20 0 CHADMN Fc1cnccc1CN1CCC[C@H]1/C=C\c1ccccc1 ZINC000449233148 1124675180 /nfs/dbraw/zinc/67/51/80/1124675180.db2.gz XLLXMOGDPFXKNK-JJEJIETFSA-N 0 1 282.362 3.899 20 0 CHADMN CSc1cc(-c2ccc(CN(C)C)cn2)ccc1F ZINC001238954737 1131276527 /nfs/dbraw/zinc/27/65/27/1131276527.db2.gz SUJHUJXXEKTAJT-UHFFFAOYSA-N 0 1 276.380 3.671 20 0 CHADMN CC(C)(C)[C@H]1C[C@H](NCC(F)(F)C(C)(C)C)CCO1 ZINC000872087793 1124680297 /nfs/dbraw/zinc/68/02/97/1124680297.db2.gz HLCJZPMDZQTVJS-VXGBXAGGSA-N 0 1 277.399 3.851 20 0 CHADMN Cc1cccc2c1OCC[C@H]2NCc1cc2cccnc2o1 ZINC000449275956 1124681719 /nfs/dbraw/zinc/68/17/19/1124681719.db2.gz AHVRRCUYOKLFLS-MRXNPFEDSA-N 0 1 294.354 3.750 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NC/C=C(\C)Cl ZINC000528520911 1124682074 /nfs/dbraw/zinc/68/20/74/1124682074.db2.gz OWTHURGLRJBVRS-YTRUQHMWSA-N 0 1 253.773 3.797 20 0 CHADMN C/C(Cl)=C/CN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000528526136 1124683477 /nfs/dbraw/zinc/68/34/77/1124683477.db2.gz PKEBCDRGZAYLCG-ACQAZONXSA-N 0 1 291.822 3.983 20 0 CHADMN Cc1nc([C@H](C)NCC2(OC(C)C)CCC2)c(C)s1 ZINC000872117579 1124688004 /nfs/dbraw/zinc/68/80/04/1124688004.db2.gz SQXIHAOTVOALBB-NSHDSACASA-N 0 1 282.453 3.758 20 0 CHADMN CC[C@H]1C[C@@]1(NCc1ccncc1F)c1cccc(C)c1 ZINC000449308598 1124688704 /nfs/dbraw/zinc/68/87/04/1124688704.db2.gz YJLGVCHZIJPTKR-YJBOKZPZSA-N 0 1 284.378 3.944 20 0 CHADMN Cc1cccc(CN2CCC(F)(F)[C@@H](C)C2)c1F ZINC000449330086 1124690560 /nfs/dbraw/zinc/69/05/60/1124690560.db2.gz RPMCSPMYLJIGDU-NSHDSACASA-N 0 1 257.299 3.611 20 0 CHADMN CCN(Cc1ccc(C)cc1OC)[C@@H](C)c1cccnc1 ZINC000449332854 1124691164 /nfs/dbraw/zinc/69/11/64/1124691164.db2.gz SWJLAYKFCQKEOO-HNNXBMFYSA-N 0 1 284.403 3.982 20 0 CHADMN CC[C@H](N[C@@H](C)c1nccnc1C)c1ccc2c(c1)CCO2 ZINC000872133816 1124692956 /nfs/dbraw/zinc/69/29/56/1124692956.db2.gz OTJXVEQENOHVSU-BBRMVZONSA-N 0 1 297.402 3.522 20 0 CHADMN CC[C@H](N[C@H](C)c1nccnc1C)c1cccc(F)c1 ZINC000872135670 1124693736 /nfs/dbraw/zinc/69/37/36/1124693736.db2.gz XWJICACKDMYDOZ-DOMZBBRYSA-N 0 1 273.355 3.726 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN2CCC[C@@](C)(F)C2)cc1 ZINC000449347404 1124696066 /nfs/dbraw/zinc/69/60/66/1124696066.db2.gz CMTIMODSZJZFLL-QGZVFWFLSA-N 0 1 287.382 3.709 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@H+](CC(=O)[O-])CC2CC2)c1 ZINC000872159982 1124696389 /nfs/dbraw/zinc/69/63/89/1124696389.db2.gz VXNKXLHNAJTNCU-UHFFFAOYSA-N 0 1 297.398 3.753 20 0 CHADMN C[C@@H](C[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1)CC(C)(C)C ZINC000872159445 1124696477 /nfs/dbraw/zinc/69/64/77/1124696477.db2.gz GYCUSYBEGALZDN-CYBMUJFWSA-N 0 1 295.398 3.785 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCc3c(F)cccc32)o1 ZINC000449348450 1124696581 /nfs/dbraw/zinc/69/65/81/1124696581.db2.gz GLDAUTLNGVDEHF-MRXNPFEDSA-N 0 1 259.324 3.894 20 0 CHADMN CC[C@]1(C)CCC[N@@H+](Cc2ccc(C)c(C(=O)[O-])c2)C1 ZINC000872158342 1124697242 /nfs/dbraw/zinc/69/72/42/1124697242.db2.gz ARSRKMLRJZBDPU-QGZVFWFLSA-N 0 1 275.392 3.705 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000872159611 1124697342 /nfs/dbraw/zinc/69/73/42/1124697342.db2.gz KYFHUPRKMSUQIB-MRXNPFEDSA-N 0 1 297.398 3.753 20 0 CHADMN C[C@@]1(F)CCCN(Cc2ccc(C(F)F)cc2)C1 ZINC000449351845 1124698119 /nfs/dbraw/zinc/69/81/19/1124698119.db2.gz RCPAVZKOLPKFHD-CQSZACIVSA-N 0 1 257.299 3.948 20 0 CHADMN Fc1cccc2c(CN3CC[C@H](C(F)(F)F)C3)c[nH]c21 ZINC001137057707 1124698583 /nfs/dbraw/zinc/69/85/83/1124698583.db2.gz NCYHWQXQJATHOD-JTQLQIEISA-N 0 1 286.272 3.691 20 0 CHADMN Clc1cncc(CN2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872259974 1124699333 /nfs/dbraw/zinc/69/93/33/1124699333.db2.gz MDFIBYFJIYHGIQ-MRXNPFEDSA-N 0 1 294.826 3.659 20 0 CHADMN Fc1ccc(CN2CCC[C@H](OC3CCC3)CC2)cc1F ZINC000872260648 1124700195 /nfs/dbraw/zinc/70/01/95/1124700195.db2.gz RELBAICQFOGJKD-HNNXBMFYSA-N 0 1 295.373 3.888 20 0 CHADMN Fc1cc(F)cc(CN2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872262023 1124701497 /nfs/dbraw/zinc/70/14/97/1124701497.db2.gz MWMSECDGKLUSEM-QGZVFWFLSA-N 0 1 295.373 3.888 20 0 CHADMN Cc1cccnc1CN[C@H](C)c1ccc(F)c(C)c1 ZINC000449372224 1124704907 /nfs/dbraw/zinc/70/49/07/1124704907.db2.gz DPWMYIRKMCICQB-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN CC(C)(NCCOC1CCC1)c1nc2ccccc2s1 ZINC000528602934 1124706927 /nfs/dbraw/zinc/70/69/27/1124706927.db2.gz OKILWKIOFVSHRM-UHFFFAOYSA-N 0 1 290.432 3.690 20 0 CHADMN CC1(C)CN(Cc2c[nH]c3c2cccc3F)CC(C)(C)O1 ZINC001137059294 1124710608 /nfs/dbraw/zinc/71/06/08/1124710608.db2.gz VRMNQVKLPCZCPE-UHFFFAOYSA-N 0 1 290.382 3.696 20 0 CHADMN C[C@@H](NC(CF)CF)[C@@H](C)c1ccc(Cl)cc1 ZINC000449379402 1124715590 /nfs/dbraw/zinc/71/55/90/1124715590.db2.gz HZGJUVOQRCOLRI-NXEZZACHSA-N 0 1 261.743 3.729 20 0 CHADMN CN(Cc1ccc(N2CCCC2)o1)Cc1ccccc1 ZINC001137059890 1124716405 /nfs/dbraw/zinc/71/64/05/1124716405.db2.gz DTUQUGHBZUCJQC-UHFFFAOYSA-N 0 1 270.376 3.512 20 0 CHADMN CSc1cc(-c2cc(-n3ccnc3)ccn2)ccc1F ZINC001238960364 1131279143 /nfs/dbraw/zinc/27/91/43/1131279143.db2.gz GADALJTUOCMNSQ-UHFFFAOYSA-N 0 1 285.347 3.795 20 0 CHADMN C[C@]1(C(F)(F)F)CCN(c2ccncc2C(F)(F)F)C1 ZINC000872728629 1124726708 /nfs/dbraw/zinc/72/67/08/1124726708.db2.gz SCJPCNZCASFHGK-JTQLQIEISA-N 0 1 298.230 3.879 20 0 CHADMN CS[C@@H]1CCN(Cc2cscc2C(F)(F)F)C1 ZINC000449444903 1124741091 /nfs/dbraw/zinc/74/10/91/1124741091.db2.gz FBHNCISYBAGVRK-SECBINFHSA-N 0 1 281.368 3.704 20 0 CHADMN CCCCn1nc(C)c(CN2CCC[C@@H]2C)c1Cl ZINC000124312430 1124731952 /nfs/dbraw/zinc/73/19/52/1124731952.db2.gz UXOKDYXDJKPLCX-NSHDSACASA-N 0 1 269.820 3.629 20 0 CHADMN c1nc(CN2CC[C@@H]2C2CC2)sc1-c1ccccc1 ZINC000449429539 1124735147 /nfs/dbraw/zinc/73/51/47/1124735147.db2.gz UTSDCPNPJYZHDY-CQSZACIVSA-N 0 1 270.401 3.794 20 0 CHADMN CS[C@@H]1CCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000449444891 1124738966 /nfs/dbraw/zinc/73/89/66/1124738966.db2.gz DZQNTABSLZCORH-GFCCVEGCSA-N 0 1 282.478 3.738 20 0 CHADMN CS[C@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000449445757 1124740254 /nfs/dbraw/zinc/74/02/54/1124740254.db2.gz LJFRGMWCVQBYBE-NSHDSACASA-N 0 1 293.329 3.782 20 0 CHADMN CN(Cc1ccc(N2CCCC2)o1)Cc1cccs1 ZINC001137068119 1124741721 /nfs/dbraw/zinc/74/17/21/1124741721.db2.gz WWFSAINVPJCWIA-UHFFFAOYSA-N 0 1 276.405 3.573 20 0 CHADMN Fc1ccc([C@H](NCc2cncnc2)C2CC2)cc1Cl ZINC000449449454 1124742080 /nfs/dbraw/zinc/74/20/80/1124742080.db2.gz LRHSNLWDEKCVTF-OAHLLOKOSA-N 0 1 291.757 3.510 20 0 CHADMN COc1ccc(C(C)(C)NCc2cc(C)ccn2)cc1F ZINC000528675111 1124743419 /nfs/dbraw/zinc/74/34/19/1124743419.db2.gz BQLKPLBERMBHBT-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN C[C@@H]1CC[C@H](NCc2noc3c2CC(C)(C)CC3)CS1 ZINC000873173952 1124744418 /nfs/dbraw/zinc/74/44/18/1124744418.db2.gz FNSOKQVPFBFXCV-NEPJUHHUSA-N 0 1 294.464 3.563 20 0 CHADMN CCc1ccc(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)cn1 ZINC000449460167 1124746545 /nfs/dbraw/zinc/74/65/45/1124746545.db2.gz MQRSYRGOMBBRNM-WCQYABFASA-N 0 1 286.341 3.807 20 0 CHADMN Cc1nccnc1[C@H](C)NC/C=C\c1ccc(Cl)cc1 ZINC000873186961 1124747825 /nfs/dbraw/zinc/74/78/25/1124747825.db2.gz HIKUNQANUUAABO-MVZIDQBPSA-N 0 1 287.794 3.802 20 0 CHADMN CCCCOc1ccc(CN[C@@H](C)c2nccnc2C)cc1 ZINC000873189943 1124750061 /nfs/dbraw/zinc/75/00/61/1124750061.db2.gz USHYAPXNDAYNNR-HNNXBMFYSA-N 0 1 299.418 3.815 20 0 CHADMN CCC[C@H](Cc1ccccc1)NCc1nn(C)cc1Cl ZINC000449481596 1124756167 /nfs/dbraw/zinc/75/61/67/1124756167.db2.gz UMQVBIUOCVNPNQ-CQSZACIVSA-N 0 1 291.826 3.575 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1ccc(N2CCCC2)o1 ZINC001137070013 1124758222 /nfs/dbraw/zinc/75/82/22/1124758222.db2.gz WXTOZBKSTBWBLN-OAHLLOKOSA-N 0 1 296.414 3.827 20 0 CHADMN CCO[C@@H]1CCN(Cc2cccc(Cl)c2F)C[C@H]1C ZINC000449492133 1124760879 /nfs/dbraw/zinc/76/08/79/1124760879.db2.gz IOAWINGESHNBHH-BXUZGUMPSA-N 0 1 285.790 3.726 20 0 CHADMN CC(C)C[C@@H](NCc1cc(N)cc(F)c1)c1ccccn1 ZINC000873288611 1124762863 /nfs/dbraw/zinc/76/28/63/1124762863.db2.gz JLBZDJZLUPFUON-QGZVFWFLSA-N 0 1 287.382 3.680 20 0 CHADMN CCC[C@H](CNCc1nn(C)cc1Cl)c1ccccc1 ZINC000449482522 1124763646 /nfs/dbraw/zinc/76/36/46/1124763646.db2.gz YQALVFOPOJCKMF-CQSZACIVSA-N 0 1 291.826 3.747 20 0 CHADMN Cc1ccc2nc(NC(=O)C[C@H]3CCCC3(F)F)[nH]c2c1 ZINC000820298140 1131282104 /nfs/dbraw/zinc/28/21/04/1131282104.db2.gz MTYJEBZQGFYRCC-SNVBAGLBSA-N 0 1 293.317 3.635 20 0 CHADMN CCO[C@H]1CCN(Cc2ccc(F)c(Cl)c2)C[C@@H]1C ZINC000449494232 1124768776 /nfs/dbraw/zinc/76/87/76/1124768776.db2.gz GIDMOSBHLHGIAJ-NHYWBVRUSA-N 0 1 285.790 3.726 20 0 CHADMN COc1ccc(CN2CC[C@@H](OC)C(C)(C)C2)c(Cl)c1 ZINC000449498847 1124773092 /nfs/dbraw/zinc/77/30/92/1124773092.db2.gz LGDFRZILNBDYIU-OAHLLOKOSA-N 0 1 297.826 3.596 20 0 CHADMN CCCCc1ccc(N(C)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1 ZINC000820562472 1131293728 /nfs/dbraw/zinc/29/37/28/1131293728.db2.gz ZBJCRSARYPPUBC-HZPDHXFCSA-N 0 1 297.402 3.519 20 0 CHADMN COc1cc(SC)c(-c2cc3[nH]ccc3c(C)n2)cn1 ZINC001239053310 1131295969 /nfs/dbraw/zinc/29/59/69/1131295969.db2.gz LMUJTYRALAHZEL-UHFFFAOYSA-N 0 1 285.372 3.664 20 0 CHADMN CCCCc1ccc(NC(=O)Nc2ccnc(CN)c2)cc1 ZINC001239184469 1131303570 /nfs/dbraw/zinc/30/35/70/1131303570.db2.gz LGFUDJKWJDJJAI-UHFFFAOYSA-N 0 1 298.390 3.527 20 0 CHADMN CCCc1ncc(CN[C@@H]2c3cc(C)ccc3C[C@H]2C)o1 ZINC000449610508 1124815141 /nfs/dbraw/zinc/81/51/41/1124815141.db2.gz GZBMOWRDHCAFFG-ACJLOTCBSA-N 0 1 284.403 3.959 20 0 CHADMN CCc1ncc(CN[C@H](c2ccc(C)cc2)C2CC2)o1 ZINC000449611954 1124816969 /nfs/dbraw/zinc/81/69/69/1124816969.db2.gz ZTTATOQFAGUGPM-QGZVFWFLSA-N 0 1 270.376 3.786 20 0 CHADMN CCSCc1ccc(NCc2cn[nH]c2C)cc1 ZINC000449602406 1124819196 /nfs/dbraw/zinc/81/91/96/1124819196.db2.gz OPINKVXYAPLOER-UHFFFAOYSA-N 0 1 261.394 3.583 20 0 CHADMN Cc1nn(C)cc1CN1CCC[C@H]1c1ccc(F)cc1C ZINC000449729684 1124848190 /nfs/dbraw/zinc/84/81/90/1124848190.db2.gz BKFFBNSMGSVNPW-KRWDZBQOSA-N 0 1 287.382 3.513 20 0 CHADMN Cc1ccc(-c2cnc(CN3CCC(C)CC3)o2)cc1 ZINC000041362375 1124849290 /nfs/dbraw/zinc/84/92/90/1124849290.db2.gz UDOCOASLFFKEIQ-UHFFFAOYSA-N 0 1 270.376 3.882 20 0 CHADMN CCOc1ccc(CNCc2cnc(C)cc2C)cc1F ZINC000449735950 1124856180 /nfs/dbraw/zinc/85/61/80/1124856180.db2.gz SYUDOQLITOOGJB-UHFFFAOYSA-N 0 1 288.366 3.526 20 0 CHADMN CCCCCCOC(=O)Nc1cc([C@H]2CCCCN2)no1 ZINC001239312301 1131314572 /nfs/dbraw/zinc/31/45/72/1131314572.db2.gz IBZVZLQWCCXRMX-GFCCVEGCSA-N 0 1 295.383 3.618 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(C)c(C)c2)cn1 ZINC000449762695 1124859556 /nfs/dbraw/zinc/85/95/56/1124859556.db2.gz KLXRBWQANGUSGV-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN COC[C@H]1CCCN(Cc2ncc(C(C)C)s2)CC1 ZINC000449777620 1124867846 /nfs/dbraw/zinc/86/78/46/1124867846.db2.gz QNNOMQDHLCPTED-ZDUSSCGKSA-N 0 1 282.453 3.515 20 0 CHADMN CCC[C@@H]1CCC[C@@H]1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000450011543 1124913683 /nfs/dbraw/zinc/91/36/83/1124913683.db2.gz WAVBZAQHARQDIU-KGLIPLIRSA-N 0 1 299.418 3.704 20 0 CHADMN CC[C@H](Cc1ccccc1)N(CC)Cc1nc(C2CC2)no1 ZINC000120509622 1124946584 /nfs/dbraw/zinc/94/65/84/1124946584.db2.gz WRARLNORWXODQM-MRXNPFEDSA-N 0 1 299.418 3.790 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@@H]3CCCC[C@H]32)s1 ZINC000450232769 1124954189 /nfs/dbraw/zinc/95/41/89/1124954189.db2.gz MTJGXEJVXGVAQY-QWHCGFSZSA-N 0 1 279.453 3.816 20 0 CHADMN CCCN(Cc1ccc(C)cc1)Cc1ccc(Cl)nn1 ZINC000876545076 1124958465 /nfs/dbraw/zinc/95/84/65/1124958465.db2.gz HJNJOXUMQRNGDK-UHFFFAOYSA-N 0 1 289.810 3.851 20 0 CHADMN CC(C)CN(Cc1nnc(C(C)C)s1)CC(C)C ZINC000450258573 1124958793 /nfs/dbraw/zinc/95/87/93/1124958793.db2.gz RLGQCABYQOFRAH-UHFFFAOYSA-N 0 1 269.458 3.776 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2ccc(Cl)nn2)c(C)c1 ZINC000876574383 1124961843 /nfs/dbraw/zinc/96/18/43/1124961843.db2.gz SLYNPYZHQABBTP-ZDUSSCGKSA-N 0 1 289.810 3.940 20 0 CHADMN Cc1ccccc1[C@@H](C)N(C)Cc1ccc(Cl)nn1 ZINC000876574255 1124962342 /nfs/dbraw/zinc/96/23/42/1124962342.db2.gz QIMGLAIFCMKTCX-GFCCVEGCSA-N 0 1 275.783 3.631 20 0 CHADMN CCN(CCc1cccs1)Cc1nc(Cl)cs1 ZINC000876608843 1124964527 /nfs/dbraw/zinc/96/45/27/1124964527.db2.gz FSVVDYUWWLQKOM-UHFFFAOYSA-N 0 1 286.853 3.923 20 0 CHADMN CN(CCOC(C)(C)C)Cc1cnc2c(F)cccc2c1 ZINC000876777502 1124977754 /nfs/dbraw/zinc/97/77/54/1124977754.db2.gz OWSBAVOFCONBSZ-UHFFFAOYSA-N 0 1 290.382 3.621 20 0 CHADMN Cc1cccc2nc(CNC(=O)[C@@H]3CC[C@H](C)[C@@H](C)C3)[nH]c21 ZINC000450312947 1124978306 /nfs/dbraw/zinc/97/83/06/1124978306.db2.gz ONXPPCOAGRLSNJ-FPMFFAJLSA-N 0 1 299.418 3.560 20 0 CHADMN C[C@H](O)CCN(Cc1ccccc1)Cc1ccccc1F ZINC000450316033 1124979652 /nfs/dbraw/zinc/97/96/52/1124979652.db2.gz YHFSGHPEPWHZNA-HNNXBMFYSA-N 0 1 287.378 3.599 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1ccc(Cl)nn1 ZINC000876812257 1124979720 /nfs/dbraw/zinc/97/97/20/1124979720.db2.gz SUHAIRZHTCNNKC-CYBMUJFWSA-N 0 1 267.804 3.675 20 0 CHADMN CC(C)C[C@H]1CCCN1Cc1nnc(C(C)C)s1 ZINC000450327592 1124980837 /nfs/dbraw/zinc/98/08/37/1124980837.db2.gz MDGDHKMZOXPBCQ-GFCCVEGCSA-N 0 1 267.442 3.672 20 0 CHADMN C[C@@H](c1ccco1)N(C)Cc1ccc2cc[nH]c2c1 ZINC000529523624 1124984749 /nfs/dbraw/zinc/98/47/49/1124984749.db2.gz XMELQMRFBHIUTI-LBPRGKRZSA-N 0 1 254.333 3.954 20 0 CHADMN CCN(Cc1c(F)cccc1F)CC1CC(F)(F)C1 ZINC000450340958 1124987467 /nfs/dbraw/zinc/98/74/67/1124987467.db2.gz YHPNGKKXVWVGHH-UHFFFAOYSA-N 0 1 275.289 3.832 20 0 CHADMN CC(C)[C@H](NCc1ccc(Cl)nn1)c1ccc(F)cc1 ZINC000876901161 1124988667 /nfs/dbraw/zinc/98/86/67/1124988667.db2.gz AIYHCEVDZNZESY-HNNXBMFYSA-N 0 1 293.773 3.756 20 0 CHADMN CC(C)[C@@H](NCc1ccc(Cl)nn1)c1ccccc1 ZINC000876908736 1124989827 /nfs/dbraw/zinc/98/98/27/1124989827.db2.gz REQQLQOVEAEIQT-OAHLLOKOSA-N 0 1 275.783 3.617 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1ccccc1C(F)F ZINC001136430613 1131323798 /nfs/dbraw/zinc/32/37/98/1131323798.db2.gz YLFAJPVJODWCCD-UHFFFAOYSA-N 0 1 287.269 3.753 20 0 CHADMN CC(C)CCn1cccc1C[N@@H+](C)CCc1ccccn1 ZINC000120827884 1124994094 /nfs/dbraw/zinc/99/40/94/1124994094.db2.gz CJYPFAMYDHGKHG-UHFFFAOYSA-N 0 1 285.435 3.604 20 0 CHADMN CCO[C@H](C)c1nc(CN(CC2CC2)CC2CC2)cs1 ZINC000120839188 1124995110 /nfs/dbraw/zinc/99/51/10/1124995110.db2.gz MICIQSQFBONTCY-GFCCVEGCSA-N 0 1 294.464 3.863 20 0 CHADMN Cn1nccc1[C@@H]1CCCCN1Cc1ccc2cc[nH]c2c1 ZINC000529556099 1124997109 /nfs/dbraw/zinc/99/71/09/1124997109.db2.gz JQBLBJDTVUSHLR-SFHVURJKSA-N 0 1 294.402 3.629 20 0 CHADMN c1cc2ccc(CN3CCOC[C@H]3CC3CCC3)cc2[nH]1 ZINC000529580126 1125000245 /nfs/dbraw/zinc/00/02/45/1125000245.db2.gz LMDGFKWGCYTPRE-QGZVFWFLSA-N 0 1 284.403 3.559 20 0 CHADMN C[C@@H]1C[C@H](NCc2cc(C3CC3)no2)c2ccccc21 ZINC000877025665 1125000650 /nfs/dbraw/zinc/00/06/50/1125000650.db2.gz RFDBICDZNUIVMM-DIFFPNOSSA-N 0 1 268.360 3.890 20 0 CHADMN CCOC(=O)CCCCN(C)[C@@H](C)c1c(F)cccc1F ZINC000610080286 1125001455 /nfs/dbraw/zinc/00/14/55/1125001455.db2.gz PESFHTXVKNBOPD-LBPRGKRZSA-N 0 1 299.361 3.691 20 0 CHADMN CNc1ccc(-c2ccc3c(c2)C(C(C)C)=NCC3)c(F)n1 ZINC001239428638 1131325618 /nfs/dbraw/zinc/32/56/18/1131325618.db2.gz IYCYDDRNZMEZBX-UHFFFAOYSA-N 0 1 297.377 3.931 20 0 CHADMN CN(Cc1ccncc1)Cc1cccc(OC(C)(C)C)c1 ZINC000877318130 1125021983 /nfs/dbraw/zinc/02/19/83/1125021983.db2.gz ONXAKXUIOWAYEG-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN CC(C)c1nnc(CN2C[C@H](C)CCC[C@@H]2C)s1 ZINC000450437741 1125024091 /nfs/dbraw/zinc/02/40/91/1125024091.db2.gz TYNJXIOWJZUVTG-NEPJUHHUSA-N 0 1 267.442 3.672 20 0 CHADMN CC(C)c1nnc(CN2[C@H](C)C[C@@H]3CCCC[C@H]32)s1 ZINC000450439280 1125026820 /nfs/dbraw/zinc/02/68/20/1125026820.db2.gz NMJLGJXHULARBB-FRRDWIJNSA-N 0 1 279.453 3.815 20 0 CHADMN C[C@@H]1CCSCCN1Cc1cc2c(ccnc2Cl)o1 ZINC000877473581 1125031586 /nfs/dbraw/zinc/03/15/86/1125031586.db2.gz KETJOTLKAHTVCJ-SNVBAGLBSA-N 0 1 296.823 3.809 20 0 CHADMN CN(C)c1ccc(F)cc1CN1CCC[C@H]1c1cccnc1 ZINC000877524252 1125038517 /nfs/dbraw/zinc/03/85/17/1125038517.db2.gz USDXBPLVSLARTP-SFHVURJKSA-N 0 1 299.393 3.624 20 0 CHADMN CN(Cc1nc(Cl)cs1)C1CCC(F)(F)CC1 ZINC000877531679 1125040100 /nfs/dbraw/zinc/04/01/00/1125040100.db2.gz AIAHAQHMMLYAHI-UHFFFAOYSA-N 0 1 280.771 3.806 20 0 CHADMN COc1cnc(F)c(CNC(C)(C)c2ccccc2C)c1 ZINC000877553032 1125044015 /nfs/dbraw/zinc/04/40/15/1125044015.db2.gz YQWMKUMMNJXFKB-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN CCO[P@](C)(=O)CC[C@H](C)Nc1cc2c(cn1)CCC2 ZINC000877552610 1125044333 /nfs/dbraw/zinc/04/43/33/1125044333.db2.gz FDZIETJUQUQAKE-YUNKPMOVSA-N 0 1 296.351 3.705 20 0 CHADMN CC1=C(C)C[C@](C)(C(=O)NCc2ccc3nc[nH]c3c2)CC1 ZINC000821385468 1131327496 /nfs/dbraw/zinc/32/74/96/1131327496.db2.gz MLMIPICOMPKYTH-GOSISDBHSA-N 0 1 297.402 3.706 20 0 CHADMN C[C@H](N[C@@H]1c2cccc(F)c2CC[C@H]1C)c1cn(C)cn1 ZINC000925229686 1125062381 /nfs/dbraw/zinc/06/23/81/1125062381.db2.gz PPSHGVKSSWLWTR-PEBVRCNWSA-N 0 1 287.382 3.533 20 0 CHADMN F[C@@H]1CCCC[C@@H]1NCc1cc2c(ccnc2Cl)o1 ZINC000877682120 1125063136 /nfs/dbraw/zinc/06/31/36/1125063136.db2.gz GWFRUHLRKUFFAV-NEPJUHHUSA-N 0 1 282.746 3.852 20 0 CHADMN CC1(F)CCN(Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877700302 1125064762 /nfs/dbraw/zinc/06/47/62/1125064762.db2.gz MIPSBJHUBIREAA-UHFFFAOYSA-N 0 1 282.746 3.805 20 0 CHADMN COC1(CSc2nc3ccc(C)cc3[nH]2)CCC1 ZINC000450623576 1125067956 /nfs/dbraw/zinc/06/79/56/1125067956.db2.gz MJLBOFDVEMMOID-UHFFFAOYSA-N 0 1 262.378 3.533 20 0 CHADMN Cc1ccc2nc(S[C@@H](C)c3csnn3)[nH]c2c1 ZINC000450622710 1125069131 /nfs/dbraw/zinc/06/91/31/1125069131.db2.gz JTAFDSDPJTXXSX-QMMMGPOBSA-N 0 1 276.390 3.576 20 0 CHADMN O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)N(CC2=CCCCC2)C1 ZINC000450627395 1125070970 /nfs/dbraw/zinc/07/09/70/1125070970.db2.gz YCSRBZYVSCVICU-PBHICJAKSA-N 0 1 293.357 3.573 20 0 CHADMN FC(F)CN(CC1CCC1)C[C@H]1CCC(F)(F)C1 ZINC000450636024 1125077174 /nfs/dbraw/zinc/07/71/74/1125077174.db2.gz LQGVIUKRPWODCK-NSHDSACASA-N 0 1 267.310 3.789 20 0 CHADMN Cc1csc([C@@H]2CCN(Cc3ccc(Cl)o3)C2)n1 ZINC000877814359 1125084711 /nfs/dbraw/zinc/08/47/11/1125084711.db2.gz XFYFACAAYXPXGY-SNVBAGLBSA-N 0 1 282.796 3.687 20 0 CHADMN Cc1cc(CN2CCO[C@H](C(F)(F)F)CC2)c(C)s1 ZINC000877819548 1125085145 /nfs/dbraw/zinc/08/51/45/1125085145.db2.gz FMJPKIXRTPALPK-LBPRGKRZSA-N 0 1 293.354 3.518 20 0 CHADMN CC(C)(C(=O)Nc1cc(F)cc(Cl)c1O)C(C)(F)F ZINC000450691048 1125087052 /nfs/dbraw/zinc/08/70/52/1125087052.db2.gz XAUNBDFKEUPWSG-UHFFFAOYSA-N 0 1 295.688 3.805 20 0 CHADMN O=C(NCC[C@H]1CC=CCC1)c1ccc(O)c(Cl)c1 ZINC000529872097 1125088568 /nfs/dbraw/zinc/08/85/68/1125088568.db2.gz RVNPKTGYCXSUSU-NSHDSACASA-N 0 1 279.767 3.522 20 0 CHADMN CCc1nc([C@@H](C)NCC2=CCCCC2)cs1 ZINC000450730596 1125095835 /nfs/dbraw/zinc/09/58/35/1125095835.db2.gz UZHKCEVQKHSORI-LLVKDONJSA-N 0 1 250.411 3.857 20 0 CHADMN CCO[C@H]1CCN(c2ccnc3cc(F)ccc32)C[C@H]1C ZINC000450742661 1125097303 /nfs/dbraw/zinc/09/73/03/1125097303.db2.gz CKJOTRRGWFEUPZ-PXAZEXFGSA-N 0 1 288.366 3.625 20 0 CHADMN Cc1nc(CN(C)[C@@H](C)C(C)C)sc1Br ZINC000877928764 1125103131 /nfs/dbraw/zinc/10/31/31/1125103131.db2.gz HVDNEBWDZMUBJA-VIFPVBQESA-N 0 1 291.258 3.690 20 0 CHADMN C[C@H]1c2cccn2CCN1CC[C@H]1CCCC1(F)F ZINC000877922224 1125103177 /nfs/dbraw/zinc/10/31/77/1125103177.db2.gz AWNPXEBCJSQSOO-QWHCGFSZSA-N 0 1 268.351 3.690 20 0 CHADMN Clc1ccc(CCSc2nc(C3CC3)n[nH]2)cc1 ZINC000450758353 1125103355 /nfs/dbraw/zinc/10/33/55/1125103355.db2.gz NPQPXNWNLVLCGA-UHFFFAOYSA-N 0 1 279.796 3.670 20 0 CHADMN Clc1ccc(CCSc2n[nH]c(C3CC3)n2)cc1 ZINC000450758353 1125103358 /nfs/dbraw/zinc/10/33/58/1125103358.db2.gz NPQPXNWNLVLCGA-UHFFFAOYSA-N 0 1 279.796 3.670 20 0 CHADMN Cc1scc(CNCc2csc([N+](=O)[O-])c2)c1C ZINC000399908327 1125105173 /nfs/dbraw/zinc/10/51/73/1125105173.db2.gz DTCVLRMVDFPTDY-UHFFFAOYSA-N 0 1 282.390 3.624 20 0 CHADMN CC(C)c1ccc(NC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)cc1 ZINC000877956116 1125105817 /nfs/dbraw/zinc/10/58/17/1125105817.db2.gz VAFYVSHUZVAFRR-PXAZEXFGSA-N 0 1 297.402 3.838 20 0 CHADMN Cc1conc1CN1CCC[C@@H]1c1cccc(C)c1 ZINC000877987149 1125110679 /nfs/dbraw/zinc/11/06/79/1125110679.db2.gz YLWLIBQAJCJERV-MRXNPFEDSA-N 0 1 256.349 3.629 20 0 CHADMN C[C@H](c1ccc(CSc2cn[nH]n2)cc1)C(F)(F)F ZINC000450860147 1125113668 /nfs/dbraw/zinc/11/36/68/1125113668.db2.gz NMDDGZIEUATDSM-MRVPVSSYSA-N 0 1 287.310 3.763 20 0 CHADMN Cc1conc1CN1CCC(Cc2ccc(F)cc2)CC1 ZINC000878031258 1125113957 /nfs/dbraw/zinc/11/39/57/1125113957.db2.gz USNNGTGBWCLUTP-UHFFFAOYSA-N 0 1 288.366 3.577 20 0 CHADMN C[C@@H](CN(C)C(=O)c1ccc2cncn2c1)C1CCCCC1 ZINC000530038598 1125115741 /nfs/dbraw/zinc/11/57/41/1125115741.db2.gz LLTFPGTYACTBSU-AWEZNQCLSA-N 0 1 299.418 3.623 20 0 CHADMN C[C@@H]1CCC[C@@H](CC[N@@H+]2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)C1 ZINC000530174491 1125130154 /nfs/dbraw/zinc/13/01/54/1125130154.db2.gz KGUKUDPVUQJOCR-RBGFHDKUSA-N 0 1 281.440 3.776 20 0 CHADMN Cc1conc1CN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000878212003 1125132361 /nfs/dbraw/zinc/13/23/61/1125132361.db2.gz FVDGQIQQRYXQCI-OAHLLOKOSA-N 0 1 295.386 3.844 20 0 CHADMN C=C/C=C\CCN(Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000878217780 1125132906 /nfs/dbraw/zinc/13/29/06/1125132906.db2.gz DDDVAUPJVAWUCU-WAYWQWQTSA-N 0 1 297.402 3.678 20 0 CHADMN CC1(C)CC[C@@H](CNC2(c3nccs3)CCCC2)OC1 ZINC000878261639 1125135824 /nfs/dbraw/zinc/13/58/24/1125135824.db2.gz KHSPUPXEOKOBEE-ZDUSSCGKSA-N 0 1 294.464 3.707 20 0 CHADMN c1csc(C2(NC[C@H]3CCC4(CCC4)O3)CCCC2)n1 ZINC000878262769 1125137297 /nfs/dbraw/zinc/13/72/97/1125137297.db2.gz UYXAFMXTXDJSBZ-CYBMUJFWSA-N 0 1 292.448 3.604 20 0 CHADMN CS[C@H]1CCCCN(Cc2scnc2Cl)C1 ZINC000878286819 1125138766 /nfs/dbraw/zinc/13/87/66/1125138766.db2.gz NQPMHJDLEJEGIS-VIFPVBQESA-N 0 1 276.858 3.514 20 0 CHADMN c1coc(CN(CCCC2CC2)Cc2cccnc2)c1 ZINC000878339260 1125141614 /nfs/dbraw/zinc/14/16/14/1125141614.db2.gz KDMDODCECOLSFM-UHFFFAOYSA-N 0 1 270.376 3.867 20 0 CHADMN C[C@]1(F)CC[N@@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000530336504 1125144198 /nfs/dbraw/zinc/14/41/98/1125144198.db2.gz YDBHNUJNUCUSEW-SFAKSCPVSA-N 0 1 253.748 3.787 20 0 CHADMN C[C@]1(F)CCN(C/C=C\c2ccc(Cl)cc2)C1 ZINC000530336504 1125144199 /nfs/dbraw/zinc/14/41/99/1125144199.db2.gz YDBHNUJNUCUSEW-SFAKSCPVSA-N 0 1 253.748 3.787 20 0 CHADMN CC(C)[C@H](NCC1CC2(CCC2)C1)c1nc(C2CC2)no1 ZINC000878374768 1125146418 /nfs/dbraw/zinc/14/64/18/1125146418.db2.gz IMBZTFXJNCRSEE-AWEZNQCLSA-N 0 1 289.423 3.814 20 0 CHADMN C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3nc4c(o3)CCCC4)C2)C1 ZINC000878400122 1125148957 /nfs/dbraw/zinc/14/89/57/1125148957.db2.gz XGCVUVCQVPAXNH-CXAGYDPISA-N 0 1 274.408 3.566 20 0 CHADMN C[C@@H]1CC[C@@]2(CCN(Cc3nc4c(o3)CCCC4)C2)C1 ZINC000878400122 1125148959 /nfs/dbraw/zinc/14/89/59/1125148959.db2.gz XGCVUVCQVPAXNH-CXAGYDPISA-N 0 1 274.408 3.566 20 0 CHADMN CCOC(=O)c1cc2[nH]c(-c3ccc(C)cc3)ccc-2n1 ZINC001239475974 1131335228 /nfs/dbraw/zinc/33/52/28/1131335228.db2.gz DDZWVVWAZWDHAM-UHFFFAOYSA-N 0 1 280.327 3.715 20 0 CHADMN CCc1nc(CN2CCCC(C)(C)CC2)cs1 ZINC000303920138 1125152886 /nfs/dbraw/zinc/15/28/86/1125152886.db2.gz OMLFUEMOWDWGOJ-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN CCS[C@H]1CCCC[C@@H]1NCc1nc2c(o1)CCCC2 ZINC000878456016 1125154489 /nfs/dbraw/zinc/15/44/89/1125154489.db2.gz HEMAUNBWCPMKTC-ZFWWWQNUSA-N 0 1 294.464 3.707 20 0 CHADMN CN(Cc1ccccc1F)C[C@H]1CCC2(CCCC2)O1 ZINC000530471182 1125155383 /nfs/dbraw/zinc/15/53/83/1125155383.db2.gz GUEZIENYDXCWHU-OAHLLOKOSA-N 0 1 277.383 3.749 20 0 CHADMN Brc1cccnc1CN(CC1CC1)C1CCC1 ZINC000878543499 1125161267 /nfs/dbraw/zinc/16/12/67/1125161267.db2.gz DLWCWUAOPGXCJH-UHFFFAOYSA-N 0 1 295.224 3.609 20 0 CHADMN CCC[C@](C)(CO)NCc1csc(-c2ccsc2)n1 ZINC000304252858 1125167090 /nfs/dbraw/zinc/16/70/90/1125167090.db2.gz QWDFOXNIQGGKBZ-CQSZACIVSA-N 0 1 296.461 3.512 20 0 CHADMN CC1(C2CC2)CCN(Cc2nc3c(o2)CCCC3)CC1 ZINC000878629639 1125167732 /nfs/dbraw/zinc/16/77/32/1125167732.db2.gz HIZLJGGRSJJJKK-UHFFFAOYSA-N 0 1 274.408 3.566 20 0 CHADMN CC[C@@H]1CCN1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878645160 1125169026 /nfs/dbraw/zinc/16/90/26/1125169026.db2.gz HOKAKTKOHBSJRW-MFKMUULPSA-N 0 1 274.191 3.511 20 0 CHADMN CN(Cc1ccccn1)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000878667896 1125171400 /nfs/dbraw/zinc/17/14/00/1125171400.db2.gz DWLSGKNWGFPQIN-RBUKOAKNSA-N 0 1 296.414 3.824 20 0 CHADMN Clc1ccc(CN2CCC[C@H](c3cccnc3)C2)cn1 ZINC000878753657 1125176563 /nfs/dbraw/zinc/17/65/63/1125176563.db2.gz NDOLRFVIXUOSHT-HNNXBMFYSA-N 0 1 287.794 3.510 20 0 CHADMN Fc1cccc(CN2CC[C@H]2Cc2ccccc2)c1F ZINC000530757089 1125179118 /nfs/dbraw/zinc/17/91/18/1125179118.db2.gz KCUNAHNONXFTIQ-HNNXBMFYSA-N 0 1 273.326 3.782 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1CCC[C@H](C)[C@@H]1C ZINC000530863873 1125184593 /nfs/dbraw/zinc/18/45/93/1125184593.db2.gz MGYCJDDWALZMGK-AAEUAGOBSA-N 0 1 294.826 3.707 20 0 CHADMN CC(C)OC1CCN(CCOc2ccccc2Cl)CC1 ZINC000530926226 1125188016 /nfs/dbraw/zinc/18/80/16/1125188016.db2.gz ODVJEEPRTKZIRM-UHFFFAOYSA-N 0 1 297.826 3.608 20 0 CHADMN CC(C)n1ccnc1CN1CC[C@@H](C)[C@@H]2CCCC[C@@H]21 ZINC000530971548 1125189300 /nfs/dbraw/zinc/18/93/00/1125189300.db2.gz UDNKSPGTTNLNAD-PMPSAXMXSA-N 0 1 275.440 3.865 20 0 CHADMN CC1(C)C[N@@H+](C[C@@H]2CCC(C)(C)CO2)[C@H]1c1cccnc1 ZINC000879010706 1125191034 /nfs/dbraw/zinc/19/10/34/1125191034.db2.gz ZKSLNCUXENCMNV-HOTGVXAUSA-N 0 1 288.435 3.670 20 0 CHADMN CC1(C)CN(C[C@@H]2CCC(C)(C)CO2)[C@H]1c1cccnc1 ZINC000879010706 1125191035 /nfs/dbraw/zinc/19/10/35/1125191035.db2.gz ZKSLNCUXENCMNV-HOTGVXAUSA-N 0 1 288.435 3.670 20 0 CHADMN CC1(C)C[N@@H+](C[C@H]2CCC(C)(C)CO2)[C@H]1c1cccnc1 ZINC000879010705 1125191721 /nfs/dbraw/zinc/19/17/21/1125191721.db2.gz ZKSLNCUXENCMNV-CVEARBPZSA-N 0 1 288.435 3.670 20 0 CHADMN CC1(C)CN(C[C@H]2CCC(C)(C)CO2)[C@H]1c1cccnc1 ZINC000879010705 1125191725 /nfs/dbraw/zinc/19/17/25/1125191725.db2.gz ZKSLNCUXENCMNV-CVEARBPZSA-N 0 1 288.435 3.670 20 0 CHADMN C[C@H](C1CC1)N(Cc1csc(N(C)C2CC2)n1)C1CC1 ZINC000122685077 1125198228 /nfs/dbraw/zinc/19/82/28/1125198228.db2.gz PBFPLBOAHSOTTA-LLVKDONJSA-N 0 1 291.464 3.505 20 0 CHADMN CC[C@](C)(NCc1cccc(F)n1)c1ccc(F)cc1 ZINC000879128031 1125199049 /nfs/dbraw/zinc/19/90/49/1125199049.db2.gz FELWNTJLAYVWFI-INIZCTEOSA-N 0 1 276.330 3.775 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2CC[C@@H](C)[C@H](C)C2)c(C)c1 ZINC000122742199 1125202963 /nfs/dbraw/zinc/20/29/63/1125202963.db2.gz NSAFJCCOXZYDAB-CZUORRHYSA-N 0 1 288.435 3.528 20 0 CHADMN Cc1cc(OCc2ccc(OC(F)F)cc2)cc(C)n1 ZINC000531246865 1125203687 /nfs/dbraw/zinc/20/36/87/1125203687.db2.gz BUKODWBLZZMUSV-UHFFFAOYSA-N 0 1 279.286 3.879 20 0 CHADMN Fc1ccc(F)c(CN2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000531231638 1125203997 /nfs/dbraw/zinc/20/39/97/1125203997.db2.gz KGASNFWOWAILPA-HUUCEWRRSA-N 0 1 283.387 3.825 20 0 CHADMN Fc1ccc(CN2CC[C@H]2Cc2ccccc2)c(F)c1 ZINC000531249734 1125204766 /nfs/dbraw/zinc/20/47/66/1125204766.db2.gz SMJHAMZMFAQLDM-INIZCTEOSA-N 0 1 273.326 3.782 20 0 CHADMN C[C@]1(Cc2ccc(F)c(F)c2)CCCN1Cc1ccon1 ZINC000879453479 1125214418 /nfs/dbraw/zinc/21/44/18/1125214418.db2.gz HTFPMZGBUMDAAZ-MRXNPFEDSA-N 0 1 292.329 3.550 20 0 CHADMN F[C@@]1(c2ccccc2)CCCN(CCc2cncs2)C1 ZINC000879478115 1125217406 /nfs/dbraw/zinc/21/74/06/1125217406.db2.gz MZXLKLSUDYXULP-INIZCTEOSA-N 0 1 290.407 3.646 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2cccc3c[nH]nc32)o1 ZINC000531452464 1125218976 /nfs/dbraw/zinc/21/89/76/1125218976.db2.gz ZNCUHOBHSACQSG-ABAIWWIYSA-N 0 1 281.359 3.569 20 0 CHADMN CCCCc1nc(CN2CC[C@H]3CSC[C@@H]3C2)cs1 ZINC000879559996 1125220075 /nfs/dbraw/zinc/22/00/75/1125220075.db2.gz VAEDKYPXAWWLRY-STQMWFEESA-N 0 1 296.505 3.671 20 0 CHADMN CC(C)(O)C1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000879626467 1125221576 /nfs/dbraw/zinc/22/15/76/1125221576.db2.gz LKOKTMJUJYQNLG-UHFFFAOYSA-N 0 1 299.817 3.505 20 0 CHADMN COC(=O)c1sc2ccccc2c1C[N@H+]1CC[C@H](C)C1 ZINC000531470024 1125223426 /nfs/dbraw/zinc/22/34/26/1125223426.db2.gz DMYKOVLEMMLSGD-NSHDSACASA-N 0 1 289.400 3.530 20 0 CHADMN O[C@H](CCN[C@@H](CF)c1ccc(F)cc1)c1ccccc1 ZINC000879660935 1125224339 /nfs/dbraw/zinc/22/43/39/1125224339.db2.gz WEOGHMRPNLFWBE-DLBZAZTESA-N 0 1 291.341 3.550 20 0 CHADMN CCN(Cc1c(F)cccc1Cl)[C@H]1CCO[C@@H](C)C1 ZINC001168139570 1125224887 /nfs/dbraw/zinc/22/48/87/1125224887.db2.gz UDIRHHUXJKBVSW-RYUDHWBXSA-N 0 1 285.790 3.869 20 0 CHADMN CC(C)(C)CC[C@H](CO)NCc1ncc(C(C)(C)C)s1 ZINC000475682012 1125227357 /nfs/dbraw/zinc/22/73/57/1125227357.db2.gz ZWXLMPIYQOUEKK-GFCCVEGCSA-N 0 1 298.496 3.717 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@@H]2c2cncc(C)c2)s1 ZINC000879750486 1125231805 /nfs/dbraw/zinc/23/18/05/1125231805.db2.gz RPRORJRBFSNSJC-OAHLLOKOSA-N 0 1 287.432 3.800 20 0 CHADMN O=C(OC1CCCCCC1)c1cc2[nH]cnc2cc1F ZINC000821621277 1131340873 /nfs/dbraw/zinc/34/08/73/1131340873.db2.gz NANRCGDHZXELRQ-UHFFFAOYSA-N 0 1 276.311 3.582 20 0 CHADMN Cc1cccc2c(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)[nH]nc21 ZINC001137148065 1125239706 /nfs/dbraw/zinc/23/97/06/1125239706.db2.gz QMMMWTLWYBSYTO-BBRMVZONSA-N 0 1 269.392 3.636 20 0 CHADMN Cc1cccc2c(CN3CCC[C@@H]4CCC[C@@H]43)[nH]nc21 ZINC001137148065 1125239710 /nfs/dbraw/zinc/23/97/10/1125239710.db2.gz QMMMWTLWYBSYTO-BBRMVZONSA-N 0 1 269.392 3.636 20 0 CHADMN Cc1nsc(C)c1CN1CC[C@@](C)(C(F)(F)F)C1 ZINC000880004448 1125243045 /nfs/dbraw/zinc/24/30/45/1125243045.db2.gz VJWWQYIBAUIMJD-LLVKDONJSA-N 0 1 278.343 3.534 20 0 CHADMN Cc1ccccc1[C@@H](CO)N[C@H]1CCSc2ccccc21 ZINC000532248491 1125243214 /nfs/dbraw/zinc/24/32/14/1125243214.db2.gz QAZFPMDEZOJODB-DLBZAZTESA-N 0 1 299.439 3.855 20 0 CHADMN FC(F)C1CCN(Cc2ccccc2Cl)CC1 ZINC000532236458 1125244089 /nfs/dbraw/zinc/24/40/89/1125244089.db2.gz VADOMDVWSMZSHX-UHFFFAOYSA-N 0 1 259.727 3.817 20 0 CHADMN c1csc(N2CCN(Cc3cc4ccccc4o3)CC2)c1 ZINC000532268044 1125244989 /nfs/dbraw/zinc/24/49/89/1125244989.db2.gz MYFKUENVIROPTM-UHFFFAOYSA-N 0 1 298.411 3.817 20 0 CHADMN CC(=O)Nc1ccc2c(c1)C[N@@H+]([C@H](C)c1ccccc1)CC2 ZINC000880029291 1125246968 /nfs/dbraw/zinc/24/69/68/1125246968.db2.gz USTZZTKISWBQHE-CQSZACIVSA-N 0 1 294.398 3.764 20 0 CHADMN COc1ccnc([C@H](C)N[C@H](C)c2ccc(C)c(F)c2)c1 ZINC000925254898 1125247291 /nfs/dbraw/zinc/24/72/91/1125247291.db2.gz RZRKFSHENCTGIB-OLZOCXBDSA-N 0 1 288.366 3.950 20 0 CHADMN CC(C)(C)SCCCN1CCO[C@@H](C(F)(F)F)CC1 ZINC000880052843 1125248698 /nfs/dbraw/zinc/24/86/98/1125248698.db2.gz YQCIFIKPAUQUPQ-LLVKDONJSA-N 0 1 299.402 3.561 20 0 CHADMN C[C@@H]1CCN([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000508619906 1125255280 /nfs/dbraw/zinc/25/52/80/1125255280.db2.gz HPKUTKPNVBYZEW-QAPCUYQASA-N 0 1 294.398 3.708 20 0 CHADMN O[C@H]1C[C@](NCc2ccc(Cl)s2)(c2ccccc2)C1 ZINC000880223192 1125256928 /nfs/dbraw/zinc/25/69/28/1125256928.db2.gz WPVHEJGPIRBVHH-JNSHFYNHSA-N 0 1 293.819 3.541 20 0 CHADMN Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](CF)C3)cs2)cc1 ZINC000880292821 1125262803 /nfs/dbraw/zinc/26/28/03/1125262803.db2.gz WTOBDYINLRWXMB-ZDUSSCGKSA-N 0 1 290.407 3.910 20 0 CHADMN Cc1ccc(-c2nc(CN3CC[C@@H](CF)C3)cs2)cc1 ZINC000880292821 1125262806 /nfs/dbraw/zinc/26/28/06/1125262806.db2.gz WTOBDYINLRWXMB-ZDUSSCGKSA-N 0 1 290.407 3.910 20 0 CHADMN Fc1cc(Cl)ccc1CN1CC[C@@H](c2nccs2)C1 ZINC000880320336 1125265568 /nfs/dbraw/zinc/26/55/68/1125265568.db2.gz SJFHNHPTIGAFHM-LLVKDONJSA-N 0 1 296.798 3.925 20 0 CHADMN c1nc(CN2CCC3(CCc4ccccc43)CC2)cs1 ZINC001137592433 1125266501 /nfs/dbraw/zinc/26/65/01/1125266501.db2.gz NQALLVKTXAVJAW-UHFFFAOYSA-N 0 1 284.428 3.623 20 0 CHADMN Cc1ncc(CN2CCc3ccsc3[C@@H]2C)s1 ZINC000880376226 1125269431 /nfs/dbraw/zinc/26/94/31/1125269431.db2.gz CUNSCHAHWJZPLP-VIFPVBQESA-N 0 1 264.419 3.632 20 0 CHADMN CCN(Cc1ccoc1)Cc1ccc(F)c2cccnc12 ZINC000102407835 1125277771 /nfs/dbraw/zinc/27/77/71/1125277771.db2.gz YKKRNTPWFVQNEU-UHFFFAOYSA-N 0 1 284.334 3.989 20 0 CHADMN FC(F)(F)c1ccccc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631263025 1125285495 /nfs/dbraw/zinc/28/54/95/1125285495.db2.gz LDXZENFZZLYTOH-NXEZZACHSA-N 0 1 283.215 3.746 20 0 CHADMN Cc1cc2cc(CN(C)Cc3cccc(=O)[nH]3)oc2cc1C ZINC000897392148 1125288746 /nfs/dbraw/zinc/28/87/46/1125288746.db2.gz PDLSMFWJGLJWQW-UHFFFAOYSA-N 0 1 296.370 3.782 20 0 CHADMN C[C@H](N[C@H](CC1CC1)c1ccccc1)c1ccn(C)n1 ZINC000666120954 1125292081 /nfs/dbraw/zinc/29/20/81/1125292081.db2.gz WNYJHPMFUOVOAX-SUMWQHHRSA-N 0 1 269.392 3.612 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1cc(Cl)cs1 ZINC000760200853 1125292293 /nfs/dbraw/zinc/29/22/93/1125292293.db2.gz NZIJFWXWYQLCNE-UHFFFAOYSA-N 0 1 277.736 3.530 20 0 CHADMN CC[C@@]1(C)CCN([C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC001168163409 1125299605 /nfs/dbraw/zinc/29/96/05/1125299605.db2.gz MTQMFOYFFNSEEN-DYVFJYSZSA-N 0 1 292.398 3.583 20 0 CHADMN Cc1ncc(CN[C@H](c2ccccc2C)C(C)C)o1 ZINC000666167170 1125304748 /nfs/dbraw/zinc/30/47/48/1125304748.db2.gz VVJYCORPVFNIAY-INIZCTEOSA-N 0 1 258.365 3.778 20 0 CHADMN CC[C@@H](N[C@H](C)c1cncs1)c1ccccc1OC ZINC000128954769 1125308958 /nfs/dbraw/zinc/30/89/58/1125308958.db2.gz XERYAMYSYVKOKU-DGCLKSJQSA-N 0 1 276.405 3.954 20 0 CHADMN C[C@@H]1CC[C@H](CSc2nnc(CCC3CCCC3)[nH]2)O1 ZINC000191059607 1125322786 /nfs/dbraw/zinc/32/27/86/1125322786.db2.gz SMHMRFSZPRGKMB-DGCLKSJQSA-N 0 1 295.452 3.587 20 0 CHADMN C[C@@H]1CC[C@H](CSc2nc(CCC3CCCC3)n[nH]2)O1 ZINC000191059607 1125322790 /nfs/dbraw/zinc/32/27/90/1125322790.db2.gz SMHMRFSZPRGKMB-DGCLKSJQSA-N 0 1 295.452 3.587 20 0 CHADMN c1cnc(CN2CCC[C@@H]2c2cccc3ccccc32)nc1 ZINC000191961018 1125329439 /nfs/dbraw/zinc/32/94/39/1125329439.db2.gz WILRBPVUISGAQG-GOSISDBHSA-N 0 1 289.382 3.967 20 0 CHADMN c1ccc(CN(Cc2ncccn2)C2CCCCC2)cc1 ZINC000191958734 1125329548 /nfs/dbraw/zinc/32/95/48/1125329548.db2.gz JMJLAEJPDXWOOX-UHFFFAOYSA-N 0 1 281.403 3.812 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(-n3ccnc3)cc2C)o1 ZINC000191906639 1125329752 /nfs/dbraw/zinc/32/97/52/1125329752.db2.gz HFEAQZNZYABJCR-UHFFFAOYSA-N 0 1 295.386 3.714 20 0 CHADMN c1ccc([C@@H]2CCCCCN2Cc2ncccn2)cc1 ZINC000191950645 1125329783 /nfs/dbraw/zinc/32/97/83/1125329783.db2.gz OANRSPTXEIIAND-INIZCTEOSA-N 0 1 267.376 3.594 20 0 CHADMN c1cnc(C[N@@H+]2CCC[C@H]2CCC2CCCCC2)nc1 ZINC000192077466 1125330634 /nfs/dbraw/zinc/33/06/34/1125330634.db2.gz VRBFNSNJUHXMAG-INIZCTEOSA-N 0 1 273.424 3.802 20 0 CHADMN c1cnc(CN2CCC[C@H]2CCC2CCCCC2)nc1 ZINC000192077466 1125330637 /nfs/dbraw/zinc/33/06/37/1125330637.db2.gz VRBFNSNJUHXMAG-INIZCTEOSA-N 0 1 273.424 3.802 20 0 CHADMN Cc1ccc2ccccc2c1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC001142383986 1125335204 /nfs/dbraw/zinc/33/52/04/1125335204.db2.gz VHTVTRUZAOLNCX-HUUCEWRRSA-N 0 1 269.388 3.757 20 0 CHADMN CCCCCc1cc(C(=O)N([C@@H](C)C2CC2)C2CC2)n[nH]1 ZINC000666278607 1125347187 /nfs/dbraw/zinc/34/71/87/1125347187.db2.gz QDTKIKIFKVHFDB-LBPRGKRZSA-N 0 1 289.423 3.546 20 0 CHADMN CCC[N@@H+](CC)Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000037095271 1125365183 /nfs/dbraw/zinc/36/51/83/1125365183.db2.gz XOYCRSSOXVSMRZ-UHFFFAOYSA-N 0 1 295.379 3.971 20 0 CHADMN CC(C)n1cc([C@H](C)NCc2cccc(Cl)c2N)cn1 ZINC000882993955 1125366861 /nfs/dbraw/zinc/36/68/61/1125366861.db2.gz NDXGVWDSMJTPMG-NSHDSACASA-N 0 1 292.814 3.550 20 0 CHADMN C[C@@H](N[C@@H]1CC[C@@H](C)C1)c1nc(C2CCCCC2)no1 ZINC000248821127 1125369623 /nfs/dbraw/zinc/36/96/23/1125369623.db2.gz FSAPTHHQLNGPOX-YRGRVCCFSA-N 0 1 277.412 3.957 20 0 CHADMN C[C@H](NCc1csc(-c2ccco2)n1)[C@@H]1CC1(F)F ZINC000666445905 1125369952 /nfs/dbraw/zinc/36/99/52/1125369952.db2.gz YTAMOQIRFAGNLZ-WPRPVWTQSA-N 0 1 284.331 3.536 20 0 CHADMN CCN(Cc1occc1C)C(=O)c1ccc(Cl)c(O)c1 ZINC001142394047 1125371687 /nfs/dbraw/zinc/37/16/87/1125371687.db2.gz JKRXUZMMOOWMDT-UHFFFAOYSA-N 0 1 293.750 3.609 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)N3[C@H](C)CC[C@H]3C)n2)o1 ZINC000350805229 1125372851 /nfs/dbraw/zinc/37/28/51/1125372851.db2.gz NFNTYMXCGYNFTE-FOGDFJRCSA-N 0 1 275.352 3.572 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnn(C)c1)c1sccc1Cl ZINC000883191732 1125375663 /nfs/dbraw/zinc/37/56/63/1125375663.db2.gz IHZRYQSEATYGLP-CABZTGNLSA-N 0 1 283.828 3.937 20 0 CHADMN CC(C)c1c[nH]c(CNc2nc3ccc(Cl)cc3[nH]2)n1 ZINC000883203733 1125377230 /nfs/dbraw/zinc/37/72/30/1125377230.db2.gz JXECSECXLZWKAE-UHFFFAOYSA-N 0 1 289.770 3.675 20 0 CHADMN C/C=C/C[C@@H]1CCCN([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000626161829 1125377279 /nfs/dbraw/zinc/37/72/79/1125377279.db2.gz JYXVURPUMLZCGX-BUHQSOCUSA-N 0 1 277.412 3.932 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](CC)c2sccc2Cl)n[nH]1 ZINC000883208187 1125377953 /nfs/dbraw/zinc/37/79/53/1125377953.db2.gz AQEKWKBRANOXDN-SCZZXKLOSA-N 0 1 298.843 3.884 20 0 CHADMN Cc1nsc(C)c1CN[C@H](C)c1ccsc1 ZINC000653663102 1125378340 /nfs/dbraw/zinc/37/83/40/1125378340.db2.gz BUCJXUPHCIXSLZ-MRVPVSSYSA-N 0 1 252.408 3.672 20 0 CHADMN C=C/C=C\CCNCc1c(Cl)cncc1Cl ZINC000883259651 1125387261 /nfs/dbraw/zinc/38/72/61/1125387261.db2.gz SULATUBLTZZYBW-ARJAWSKDSA-N 0 1 257.164 3.610 20 0 CHADMN CC[C@@H](C)[C@H](C)N(C(=O)c1[nH]nc2ccccc21)C1CC1 ZINC000104567428 1125387669 /nfs/dbraw/zinc/38/76/69/1125387669.db2.gz YMMJGQZWDCWLIH-NEPJUHHUSA-N 0 1 285.391 3.602 20 0 CHADMN C[C@H](CCc1ccccc1)CNC1(c2ncccn2)CCC1 ZINC000883307006 1125393011 /nfs/dbraw/zinc/39/30/11/1125393011.db2.gz KDXFNSYGXYRCST-MRXNPFEDSA-N 0 1 295.430 3.714 20 0 CHADMN C[N@@H+](CCc1ccccc1C(=O)[O-])C1CCCCCC1 ZINC000228513947 1125393206 /nfs/dbraw/zinc/39/32/06/1125393206.db2.gz RRKYMBCNHBLWMS-UHFFFAOYSA-N 0 1 275.392 3.582 20 0 CHADMN c1ccc([C@H]2CC[C@@H](NC3(c4ncccn4)CCC3)C2)cc1 ZINC000883312280 1125393794 /nfs/dbraw/zinc/39/37/94/1125393794.db2.gz YWFWMPPXFRWZFC-DLBZAZTESA-N 0 1 293.414 3.782 20 0 CHADMN c1ccc([C@H]2CC[C@H](NC3(c4ncccn4)CCC3)C2)cc1 ZINC000883312282 1125393871 /nfs/dbraw/zinc/39/38/71/1125393871.db2.gz YWFWMPPXFRWZFC-IRXDYDNUSA-N 0 1 293.414 3.782 20 0 CHADMN Cc1ccc(CC[C@H](C)NC2(c3ncccn3)CCC2)cc1 ZINC000883313928 1125394449 /nfs/dbraw/zinc/39/44/49/1125394449.db2.gz QHZPZFACDBJUOV-INIZCTEOSA-N 0 1 295.430 3.775 20 0 CHADMN CCCCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000532468858 1125397874 /nfs/dbraw/zinc/39/78/74/1125397874.db2.gz JQOQVHYFQRJMQG-OAHLLOKOSA-N 0 1 290.451 3.547 20 0 CHADMN CCCCNC(=O)[C@@H](C)N(C)Cc1ccc(C(C)C)cc1 ZINC000532468858 1125397877 /nfs/dbraw/zinc/39/78/77/1125397877.db2.gz JQOQVHYFQRJMQG-OAHLLOKOSA-N 0 1 290.451 3.547 20 0 CHADMN CC(C)[C@H](C)[N@@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000532485882 1125407111 /nfs/dbraw/zinc/40/71/11/1125407111.db2.gz CXBCFSBZDCFPBV-HNNXBMFYSA-N 0 1 297.446 3.837 20 0 CHADMN Cc1cccc(NC(=O)c2cc(-c3ccco3)n[nH]2)c1C ZINC000028266260 1125414206 /nfs/dbraw/zinc/41/42/06/1125414206.db2.gz MBHMUGWDBUWCLH-UHFFFAOYSA-N 0 1 281.315 3.539 20 0 CHADMN O=C(Nc1cccc(Cl)c1)c1cc(-c2ccco2)n[nH]1 ZINC000028267123 1125414336 /nfs/dbraw/zinc/41/43/36/1125414336.db2.gz CXQCWNZFTIXBPI-UHFFFAOYSA-N 0 1 287.706 3.575 20 0 CHADMN Cc1ccc(F)c(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1F ZINC001168235723 1125421891 /nfs/dbraw/zinc/42/18/91/1125421891.db2.gz XKCIJDUOOFZKCW-AWEZNQCLSA-N 0 1 295.373 3.522 20 0 CHADMN C[C@@H](NCc1ccsc1)c1ccc(F)cc1F ZINC000035010774 1125424672 /nfs/dbraw/zinc/42/46/72/1125424672.db2.gz UXBACVCPYDMLCK-SECBINFHSA-N 0 1 253.317 3.877 20 0 CHADMN CCC(CC)n1ccc(CN(C)C[C@@H](C)CC)n1 ZINC000532615833 1125428143 /nfs/dbraw/zinc/42/81/43/1125428143.db2.gz VZWUFBUJAHJFLD-ZDUSSCGKSA-N 0 1 251.418 3.722 20 0 CHADMN CC/C=C\CCN1CCN(c2ccc(F)cc2Cl)CC1 ZINC001168244812 1125429517 /nfs/dbraw/zinc/42/95/17/1125429517.db2.gz UKAZOAMDLYEICK-ARJAWSKDSA-N 0 1 296.817 3.957 20 0 CHADMN CCO[C@H](C)c1noc(CN2CCCC[C@@H]2CC(C)C)n1 ZINC000123566677 1125431541 /nfs/dbraw/zinc/43/15/41/1125431541.db2.gz VDXSKFNGFRGGBQ-ZIAGYGMSSA-N 0 1 295.427 3.568 20 0 CHADMN Cn1cccc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000124095519 1125434472 /nfs/dbraw/zinc/43/44/72/1125434472.db2.gz MUENZJOCNXYUFI-MRXNPFEDSA-N 0 1 258.340 3.501 20 0 CHADMN CCOc1ccc2nc(SCc3ccccn3)[nH]c2c1 ZINC000042124199 1125438888 /nfs/dbraw/zinc/43/88/88/1125438888.db2.gz NCPZEGFWCSOTGE-UHFFFAOYSA-N 0 1 285.372 3.649 20 0 CHADMN C[C@H](NCCn1cccn1)c1cc(Cl)ccc1Cl ZINC000042538813 1125442030 /nfs/dbraw/zinc/44/20/30/1125442030.db2.gz ZEGPIGVPAPCEHG-JTQLQIEISA-N 0 1 284.190 3.541 20 0 CHADMN Cc1nc(N2[C@H](C)CC[C@H]2C)cc(N2[C@H](C)CC[C@H]2C)n1 ZINC000536536738 1125446548 /nfs/dbraw/zinc/44/65/48/1125446548.db2.gz YEUZQHNIWACLMF-AAVRWANBSA-N 0 1 288.439 3.539 20 0 CHADMN Cc1nccnc1CN(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000621711906 1129184474 /nfs/dbraw/zinc/18/44/74/1129184474.db2.gz LSFMJASDXBNHIW-LJQANCHMSA-N 0 1 293.414 3.827 20 0 CHADMN Cc1nccnc1CN(C1CC1)[C@H]1CCCc2ccccc21 ZINC000621711905 1129184498 /nfs/dbraw/zinc/18/44/98/1129184498.db2.gz LSFMJASDXBNHIW-IBGZPJMESA-N 0 1 293.414 3.827 20 0 CHADMN Cc1nccnc1CN(Cc1cccc(Cl)c1)C(C)C ZINC000621711883 1129184880 /nfs/dbraw/zinc/18/48/80/1129184880.db2.gz KSMVCXLIRMXHAB-UHFFFAOYSA-N 0 1 289.810 3.849 20 0 CHADMN CC(C)=C(C)CC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000635564212 1129185081 /nfs/dbraw/zinc/18/50/81/1129185081.db2.gz QFPMISBPRKFESA-UHFFFAOYSA-N 0 1 291.782 3.579 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN(C)CCOC(C)(C)C)o1 ZINC000621729926 1129187602 /nfs/dbraw/zinc/18/76/02/1129187602.db2.gz GTKGGCUPIOJDKP-TZMCWYRMSA-N 0 1 265.397 3.650 20 0 CHADMN FC(F)[C@H](CCc1ccccc1)NCC[C@H]1CC1(F)F ZINC000621734427 1129188660 /nfs/dbraw/zinc/18/86/60/1129188660.db2.gz MQNZNCOVJYIKTH-STQMWFEESA-N 0 1 289.316 3.888 20 0 CHADMN CC(C)C1(N[C@H](C)c2ncc(Br)s2)CC1 ZINC000293693473 1129195652 /nfs/dbraw/zinc/19/56/52/1129195652.db2.gz LJOTXFDGMYENEX-MRVPVSSYSA-N 0 1 289.242 3.745 20 0 CHADMN Cc1[nH]ncc1CN(C)C(=O)[C@H](CC(C)C)c1ccccc1 ZINC000636067520 1129197927 /nfs/dbraw/zinc/19/79/27/1129197927.db2.gz UQSPTHGRUROUHU-QGZVFWFLSA-N 0 1 299.418 3.506 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(F)c1O ZINC001124630848 1131357215 /nfs/dbraw/zinc/35/72/15/1131357215.db2.gz FIYXBTKEIJAKSZ-SNVBAGLBSA-N 0 1 291.297 3.504 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2sc3c(c2C)CCCC3)[nH]1 ZINC000621882757 1129202141 /nfs/dbraw/zinc/20/21/41/1129202141.db2.gz UZNYOSNJFFBYJB-UHFFFAOYSA-N 0 1 289.404 3.528 20 0 CHADMN COc1cc(Cl)cc(CN2CCC[C@@H](C)[C@H]2C)c1OC ZINC001138746828 1129207633 /nfs/dbraw/zinc/20/76/33/1129207633.db2.gz OZTQQAICJHETQT-VXGBXAGGSA-N 0 1 297.826 3.978 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H](C)c1cn[nH]c1 ZINC000296210916 1129220695 /nfs/dbraw/zinc/22/06/95/1129220695.db2.gz ZHQNDBXVUBEQBS-RISCZKNCSA-N 0 1 273.380 3.675 20 0 CHADMN COC(=O)c1sccc1CN(C)[C@H]1CCC[C@H](C)C1 ZINC000336888705 1129226064 /nfs/dbraw/zinc/22/60/64/1129226064.db2.gz FMDFSFDKQPOHOG-AAEUAGOBSA-N 0 1 281.421 3.545 20 0 CHADMN CCN(Cc1ccc(OC)cc1)[C@H](C)c1cnc(C)nc1C ZINC000637913726 1129237148 /nfs/dbraw/zinc/23/71/48/1129237148.db2.gz DFKWTILJIDOELO-CQSZACIVSA-N 0 1 299.418 3.685 20 0 CHADMN CO[C@H]1CC=C(Nc2ncc(Cl)cc2Cl)CC1 ZINC001212873911 1129237720 /nfs/dbraw/zinc/23/77/20/1129237720.db2.gz XTYOXCXQIUNWJG-JTQLQIEISA-N 0 1 273.163 3.883 20 0 CHADMN CCN([C@H](C)c1cccc(O)c1)[C@H](C)c1cnc(C)nc1C ZINC000637948930 1129237996 /nfs/dbraw/zinc/23/79/96/1129237996.db2.gz SEXWPGVMCGKBJR-ZIAGYGMSSA-N 0 1 299.418 3.943 20 0 CHADMN CCN([C@H](C)c1cccc(O)c1)[C@@H](C)c1cnc(C)nc1C ZINC000637948928 1129238380 /nfs/dbraw/zinc/23/83/80/1129238380.db2.gz SEXWPGVMCGKBJR-KGLIPLIRSA-N 0 1 299.418 3.943 20 0 CHADMN Cc1scc(CN(C)[C@@H]2CCCc3c2cnn3C)c1C ZINC000638154656 1129246475 /nfs/dbraw/zinc/24/64/75/1129246475.db2.gz WFCAQTHXRHBEIY-OAHLLOKOSA-N 0 1 289.448 3.608 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](c2nnc[nH]2)C2CCCCC2)o1 ZINC000638286871 1129252845 /nfs/dbraw/zinc/25/28/45/1129252845.db2.gz RUGPDODCDNNHNV-SWLSCSKDSA-N 0 1 288.395 3.678 20 0 CHADMN Cn1ccnc1[C@@H](N[C@H](c1ccccc1)C1CC1)C1CC1 ZINC000638316379 1129253423 /nfs/dbraw/zinc/25/34/23/1129253423.db2.gz BKGHTFHJAOBQQJ-SJORKVTESA-N 0 1 281.403 3.612 20 0 CHADMN Cc1cccc2c1N(C(=O)c1ccc(O)c(Cl)c1)CC2 ZINC000622413177 1129256451 /nfs/dbraw/zinc/25/64/51/1129256451.db2.gz HIOBFOOVZNCANT-UHFFFAOYSA-N 0 1 287.746 3.557 20 0 CHADMN C[C@H](NCc1coc(-c2cccs2)n1)[C@@H]1CC1(F)F ZINC000638433097 1129258397 /nfs/dbraw/zinc/25/83/97/1129258397.db2.gz WEACELJQODYXLS-WPRPVWTQSA-N 0 1 284.331 3.536 20 0 CHADMN Cc1cc(CNCc2ccc(OC(C)(C)C)cc2)sn1 ZINC000638442681 1129258977 /nfs/dbraw/zinc/25/89/77/1129258977.db2.gz APJZEPRWRSIFGE-UHFFFAOYSA-N 0 1 290.432 3.919 20 0 CHADMN Cc1[nH]c2ccc(CNCc3ccns3)cc2c1C ZINC000638446947 1129259443 /nfs/dbraw/zinc/25/94/43/1129259443.db2.gz XEXUKUODVAIFDK-UHFFFAOYSA-N 0 1 271.389 3.531 20 0 CHADMN Clc1cccc(Cl)c1CNC1CC(n2cccn2)C1 ZINC000638446611 1129259615 /nfs/dbraw/zinc/25/96/15/1129259615.db2.gz YTSVBWRODGFWKD-UHFFFAOYSA-N 0 1 296.201 3.683 20 0 CHADMN CN1CCN(C(=O)CC(C)(C)C2CCCCC2)CC1(C)C ZINC000622579786 1129266448 /nfs/dbraw/zinc/26/64/48/1129266448.db2.gz SRSZZAOINSNUSF-UHFFFAOYSA-N 0 1 294.483 3.536 20 0 CHADMN Cc1occc1CN(C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000184969174 1129266619 /nfs/dbraw/zinc/26/66/19/1129266619.db2.gz RNBASECHUOEDGO-OAHLLOKOSA-N 0 1 297.757 3.546 20 0 CHADMN COc1ncc(CN[C@H]2CC(C)(C)c3ccccc32)s1 ZINC000638761639 1129269741 /nfs/dbraw/zinc/26/97/41/1129269741.db2.gz GWGUPFVQYUPQNP-AWEZNQCLSA-N 0 1 288.416 3.664 20 0 CHADMN CC1(C)SC[C@H]1NCc1csc(-c2ccsc2)n1 ZINC000282637660 1129274099 /nfs/dbraw/zinc/27/40/99/1129274099.db2.gz GSZWTWRAJROHSJ-LLVKDONJSA-N 0 1 296.486 3.855 20 0 CHADMN C[C@@H](c1ccccn1)N(C)[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000638922941 1129274921 /nfs/dbraw/zinc/27/49/21/1129274921.db2.gz NFYNZIDZMRQOMD-XJKSGUPXSA-N 0 1 299.422 3.514 20 0 CHADMN COc1cccc(-c2cccc(CN(C)C)c2F)c1 ZINC001239523106 1131362775 /nfs/dbraw/zinc/36/27/75/1131362775.db2.gz WZXXVKJIJZRQAE-UHFFFAOYSA-N 0 1 259.324 3.563 20 0 CHADMN C[C@H]1CN(Cc2ccc(CF)cc2)Cc2ccccc2O1 ZINC000795432202 1129276972 /nfs/dbraw/zinc/27/69/72/1129276972.db2.gz GSRURLPABXXWRN-AWEZNQCLSA-N 0 1 285.362 3.939 20 0 CHADMN Cc1cc(CN[C@H](C)c2cn(C(C)(C)C)nc2C)sn1 ZINC000639051369 1129278583 /nfs/dbraw/zinc/27/85/83/1129278583.db2.gz RXXVNPFMEOVCMM-LLVKDONJSA-N 0 1 292.452 3.562 20 0 CHADMN CC[C@@H](C)[C@@H](CN1CCC[C@@H]1c1csc(C)n1)OC ZINC000639060335 1129279457 /nfs/dbraw/zinc/27/94/57/1129279457.db2.gz OCVYPZWXLQQDQT-KCPJHIHWSA-N 0 1 282.453 3.650 20 0 CHADMN Cc1noc([C@@H](C)N[C@@H](C)CCc2c[nH]c3ccccc23)n1 ZINC000639097968 1129280920 /nfs/dbraw/zinc/28/09/20/1129280920.db2.gz NGZDXDSCEVRHFG-NWDGAFQWSA-N 0 1 298.390 3.531 20 0 CHADMN Cc1cnc(CNC[C@H](Cc2ccccc2)C(C)C)o1 ZINC000639095117 1129281232 /nfs/dbraw/zinc/28/12/32/1129281232.db2.gz XDWQSXWKUGXTJY-INIZCTEOSA-N 0 1 272.392 3.588 20 0 CHADMN CC(C)[C@@H](NC(=O)C=CC(C)(C)C)c1nc2ccccc2[nH]1 ZINC000733888947 1129281830 /nfs/dbraw/zinc/28/18/30/1129281830.db2.gz OKYMOIBFOZKWRZ-BLIJAFNYSA-N 0 1 299.418 3.979 20 0 CHADMN Cc1ccc(C)c(CN(C)[C@@H](C)c2cnc(C)nc2C)c1 ZINC000639107249 1129282401 /nfs/dbraw/zinc/28/24/01/1129282401.db2.gz ZHHAJMDQSNTKRB-HNNXBMFYSA-N 0 1 283.419 3.903 20 0 CHADMN C[C@H](NC(C)(C)C(F)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000639119908 1129284072 /nfs/dbraw/zinc/28/40/72/1129284072.db2.gz MNMLEGKVXCZJER-DRZSPHRISA-N 0 1 253.336 3.812 20 0 CHADMN C(c1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3N2)n1)C1CCCC1 ZINC000379120830 1129285758 /nfs/dbraw/zinc/28/57/58/1129285758.db2.gz OASDYPBZFICYAG-KKUMJFAQSA-N 0 1 289.423 3.786 20 0 CHADMN Cc1n[nH]cc1C1CCN(Cc2ccc(C)cc2F)CC1 ZINC000639147411 1129286483 /nfs/dbraw/zinc/28/64/83/1129286483.db2.gz SXKQUMKNWXWABR-UHFFFAOYSA-N 0 1 287.382 3.545 20 0 CHADMN Cc1cnc(CNCCCCc2ccc(Cl)s2)o1 ZINC000639148544 1129286627 /nfs/dbraw/zinc/28/66/27/1129286627.db2.gz UOUGNYXNURNYBD-UHFFFAOYSA-N 0 1 284.812 3.810 20 0 CHADMN Cc1ccc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)c(F)c1 ZINC000639196755 1129291611 /nfs/dbraw/zinc/29/16/11/1129291611.db2.gz LYWUTKXCUZLTFI-UONOGXRCSA-N 0 1 269.310 3.611 20 0 CHADMN Cc1cnc(CNCC2(Cc3cccc(Cl)c3)CC2)o1 ZINC000639256508 1129296752 /nfs/dbraw/zinc/29/67/52/1129296752.db2.gz IYIBSZXQRDICGJ-UHFFFAOYSA-N 0 1 290.794 3.749 20 0 CHADMN Clc1ccc2c(c1)CN(CC1CCSCC1)C2 ZINC000639259838 1129297757 /nfs/dbraw/zinc/29/77/57/1129297757.db2.gz WQNNDSXYHGIAHN-UHFFFAOYSA-N 0 1 267.825 3.799 20 0 CHADMN COc1ncc(CN[C@@H](c2ccccc2F)C(C)C)s1 ZINC000639311301 1129301450 /nfs/dbraw/zinc/30/14/50/1129301450.db2.gz KTOFSDCZFQYTKR-CQSZACIVSA-N 0 1 294.395 3.778 20 0 CHADMN Cc1ncc([C@@H](C)N2CCC(c3ccco3)CC2)c(C)n1 ZINC000639306973 1129301880 /nfs/dbraw/zinc/30/18/80/1129301880.db2.gz YKGAXIQFCRNODJ-CYBMUJFWSA-N 0 1 285.391 3.627 20 0 CHADMN COc1ncc(CN[C@H](c2ccccc2F)C(C)C)s1 ZINC000639311300 1129302090 /nfs/dbraw/zinc/30/20/90/1129302090.db2.gz KTOFSDCZFQYTKR-AWEZNQCLSA-N 0 1 294.395 3.778 20 0 CHADMN Cc1nc2ccccc2nc1CN[C@@H]1CCc2ccccc21 ZINC000639318927 1129302471 /nfs/dbraw/zinc/30/24/71/1129302471.db2.gz ZJTAHFYQHLCQOM-MRXNPFEDSA-N 0 1 289.382 3.715 20 0 CHADMN Cc1ccc(CN2CC[C@@H](O)C[C@H]2c2ccccc2)c(F)c1 ZINC000639371356 1129307509 /nfs/dbraw/zinc/30/75/09/1129307509.db2.gz SAPWSPGHORBTDD-MJGOQNOKSA-N 0 1 299.389 3.832 20 0 CHADMN O[C@@H]1CCN(Cc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000639365996 1129307633 /nfs/dbraw/zinc/30/76/33/1129307633.db2.gz HVIKAHUGYKAATE-SJLPKXTDSA-N 0 1 285.362 3.524 20 0 CHADMN CCc1ccc(CN2CC[C@H](O)C[C@@H]2c2ccccc2)o1 ZINC000639366362 1129307962 /nfs/dbraw/zinc/30/79/62/1129307962.db2.gz KCRUGYPNVMVXEG-MAUKXSAKSA-N 0 1 285.387 3.540 20 0 CHADMN CC1(F)CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000639388659 1129309520 /nfs/dbraw/zinc/30/95/20/1129309520.db2.gz JQTQPRODWDXPLL-UHFFFAOYSA-N 0 1 291.395 3.529 20 0 CHADMN CC1(F)CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000639388695 1129309631 /nfs/dbraw/zinc/30/96/31/1129309631.db2.gz KNLROBIGTVWAMT-UHFFFAOYSA-N 0 1 291.395 3.529 20 0 CHADMN Cc1cccc([C@H](C)NCc2cccc3c2OCCO3)c1C ZINC000734511989 1129311537 /nfs/dbraw/zinc/31/15/37/1129311537.db2.gz LGWOLBVUYNEFJA-HNNXBMFYSA-N 0 1 297.398 3.925 20 0 CHADMN CN(Cc1ccccc1F)Cc1cccc2c1CCOC2 ZINC000639436516 1129314486 /nfs/dbraw/zinc/31/44/86/1129314486.db2.gz VTTIOEBQZIYZPW-UHFFFAOYSA-N 0 1 285.362 3.530 20 0 CHADMN C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cc1cc[nH]c(=O)c1 ZINC000639518794 1129320735 /nfs/dbraw/zinc/32/07/35/1129320735.db2.gz BOZGZBXYPHVKMH-NSHDSACASA-N 0 1 299.399 3.590 20 0 CHADMN C[C@@H](c1nc2ccccc2s1)N(C)Cc1cc[nH]c(=O)c1 ZINC000639518794 1129320739 /nfs/dbraw/zinc/32/07/39/1129320739.db2.gz BOZGZBXYPHVKMH-NSHDSACASA-N 0 1 299.399 3.590 20 0 CHADMN c1sc(C2CC2)nc1CN1CCCC2(CC2)CC1 ZINC000626114730 1129326249 /nfs/dbraw/zinc/32/62/49/1129326249.db2.gz QJPFWCRYGVNHLX-UHFFFAOYSA-N 0 1 262.422 3.787 20 0 CHADMN CCCOc1cccc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000639777576 1129333074 /nfs/dbraw/zinc/33/30/74/1129333074.db2.gz LXGUOFILWURLIZ-KRWDZBQOSA-N 0 1 285.391 3.536 20 0 CHADMN CCCOc1cccc(CN2CCC[C@H]2c2cn[nH]c2)c1 ZINC000639777576 1129333076 /nfs/dbraw/zinc/33/30/76/1129333076.db2.gz LXGUOFILWURLIZ-KRWDZBQOSA-N 0 1 285.391 3.536 20 0 CHADMN Cc1nccnc1CN(Cc1ccsc1)C(C)(C)C ZINC000639784842 1129333948 /nfs/dbraw/zinc/33/39/48/1129333948.db2.gz RXHIOYXQGUKCSP-UHFFFAOYSA-N 0 1 275.421 3.647 20 0 CHADMN CC[C@](C)(NCc1cc(C)ccn1)c1ccc(F)cc1 ZINC000639928937 1129340967 /nfs/dbraw/zinc/34/09/67/1129340967.db2.gz PNJWPVITNUOXBM-KRWDZBQOSA-N 0 1 272.367 3.944 20 0 CHADMN Cc1ccc(CNCc2nc3c(s2)CCCC3)c(C)c1 ZINC000719527193 1129342753 /nfs/dbraw/zinc/34/27/53/1129342753.db2.gz GHDACTZNHGWXKN-UHFFFAOYSA-N 0 1 286.444 3.929 20 0 CHADMN Cc1cccc(C)c1CNCc1nc2c(s1)CCCC2 ZINC000719527200 1129342860 /nfs/dbraw/zinc/34/28/60/1129342860.db2.gz GMOSCKIULMAPGX-UHFFFAOYSA-N 0 1 286.444 3.929 20 0 CHADMN O=C(/C=C\C1CCCCC1)Nc1nc2ccccc2[nH]1 ZINC000735423075 1129343512 /nfs/dbraw/zinc/34/35/12/1129343512.db2.gz IWTUEJYRRDNLAO-KHPPLWFESA-N 0 1 269.348 3.638 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccc(F)cc2C)s1 ZINC000639995248 1129344560 /nfs/dbraw/zinc/34/45/60/1129344560.db2.gz JTTREGKARDASKY-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@H](C3CCC3)CC2)o1 ZINC000640106789 1129348406 /nfs/dbraw/zinc/34/84/06/1129348406.db2.gz UCOKRTXLEPCXKY-AWEZNQCLSA-N 0 1 277.412 3.595 20 0 CHADMN O[C@@H]1CCN(Cc2ccsc2Cl)[C@H]2CCCC[C@H]12 ZINC000640102835 1129348590 /nfs/dbraw/zinc/34/85/90/1129348590.db2.gz VDEBCOXUOPYROW-RWMBFGLXSA-N 0 1 285.840 3.527 20 0 CHADMN c1ccc(-c2noc([C@@H]3CC[C@H]4CCCC[C@@H]4N3)n2)cc1 ZINC000091355325 1129356403 /nfs/dbraw/zinc/35/64/03/1129356403.db2.gz SMYYADUJVYYQIS-SNPRPXQTSA-N 0 1 283.375 3.720 20 0 CHADMN CN(C(=O)c1cc(C(F)F)[nH]n1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000640411163 1129357546 /nfs/dbraw/zinc/35/75/46/1129357546.db2.gz PHKMRSKRZGVSMZ-JOYOIKCWSA-N 0 1 299.365 3.634 20 0 CHADMN CCCOc1ccc(OC(=O)[C@@H](CC)N(CC)CC)cc1 ZINC000735806396 1129357613 /nfs/dbraw/zinc/35/76/13/1129357613.db2.gz UABREGDEHYTPMU-MRXNPFEDSA-N 0 1 293.407 3.501 20 0 CHADMN CCCC[C@@H](CC)Cn1cc([C@@H](N)c2ccccc2)nn1 ZINC000640752727 1129366354 /nfs/dbraw/zinc/36/63/54/1129366354.db2.gz FCZQIHDPUFZFAV-PBHICJAKSA-N 0 1 286.423 3.543 20 0 CHADMN CC[C@H](C(=O)O[C@@H](C)c1cccc(C)c1)N(CC)CC ZINC000736025400 1129367564 /nfs/dbraw/zinc/36/75/64/1129367564.db2.gz VUDGRYXHHCRKHG-GOEBONIOSA-N 0 1 277.408 3.720 20 0 CHADMN C[C@@H](CC1CC1)n1c2cc(Cl)ccc2nc1CN ZINC001258447899 1129369431 /nfs/dbraw/zinc/36/94/31/1129369431.db2.gz YFGHOLZLWXMMTN-VIFPVBQESA-N 0 1 263.772 3.510 20 0 CHADMN CC(=O)Nc1cccc(-c2cccc(CN(C)C)c2F)c1 ZINC001239532691 1131370160 /nfs/dbraw/zinc/37/01/60/1131370160.db2.gz HWJULIWTBCBNOU-UHFFFAOYSA-N 0 1 286.350 3.513 20 0 CHADMN CCc1nc(CNC(C)(C)c2ccc3ccccc3c2)n[nH]1 ZINC000626115994 1129378828 /nfs/dbraw/zinc/37/88/28/1129378828.db2.gz MSSCROSEUXFKKF-UHFFFAOYSA-N 0 1 294.402 3.545 20 0 CHADMN Fc1ccc(OC2CCN(Cc3ccoc3)CC2)c(F)c1 ZINC000092093323 1129380712 /nfs/dbraw/zinc/38/07/12/1129380712.db2.gz SGTFDGYVKNPFIB-UHFFFAOYSA-N 0 1 293.313 3.601 20 0 CHADMN CC(C)c1nc2c(ncnc2NCCC2=CCCCC2)[nH]1 ZINC001168771196 1129388020 /nfs/dbraw/zinc/38/80/20/1129388020.db2.gz UOIMKYWLLRIMII-UHFFFAOYSA-N 0 1 285.395 3.779 20 0 CHADMN CSc1ccc(CN[C@H]2CCc3cc(F)ccc32)o1 ZINC000641712032 1129388557 /nfs/dbraw/zinc/38/85/57/1129388557.db2.gz HWSJDQLYRKGWHJ-AWEZNQCLSA-N 0 1 277.364 3.918 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(SC)o2)cc1 ZINC000641712619 1129388591 /nfs/dbraw/zinc/38/85/91/1129388591.db2.gz MEELGSAXIUVDDP-NSHDSACASA-N 0 1 277.389 3.861 20 0 CHADMN COc1cccc(CN(C)Cc2c(C)cccc2C)c1OC ZINC000738297745 1129392439 /nfs/dbraw/zinc/39/24/39/1129392439.db2.gz AWNPNJWWHUABBL-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN CCCCN(CCCC)Cc1nc(C(C)(C)C)no1 ZINC000641979642 1129399289 /nfs/dbraw/zinc/39/92/89/1129399289.db2.gz UXJYPAHQHMMUBQ-UHFFFAOYSA-N 0 1 267.417 3.769 20 0 CHADMN CCN(Cc1ccc(C)cc1)C(=O)c1cccc2c[nH]nc21 ZINC000642052113 1129403084 /nfs/dbraw/zinc/40/30/84/1129403084.db2.gz NHUMSSOQIKFTCE-UHFFFAOYSA-N 0 1 293.370 3.534 20 0 CHADMN CCN(Cc1ccc(C)cc1)C(=O)c1cccc2n[nH]cc21 ZINC000642319836 1129413573 /nfs/dbraw/zinc/41/35/73/1129413573.db2.gz RREOFCHVQVNFTR-UHFFFAOYSA-N 0 1 293.370 3.534 20 0 CHADMN CCCCc1noc([C@H](C)N2CCC[C@@H](CC)C2)n1 ZINC000642330233 1129414263 /nfs/dbraw/zinc/41/42/63/1129414263.db2.gz CNTHBEOCTCUQRZ-QWHCGFSZSA-N 0 1 265.401 3.595 20 0 CHADMN CCCCCCN(C)Cc1ccn(-c2ccccc2)n1 ZINC000740875301 1129422052 /nfs/dbraw/zinc/42/20/52/1129422052.db2.gz RKBUVTFPPDWPNV-UHFFFAOYSA-N 0 1 271.408 3.884 20 0 CHADMN OCC[C@H](NCc1ccccc1Cl)c1cccs1 ZINC000740899692 1129423551 /nfs/dbraw/zinc/42/35/51/1129423551.db2.gz CXXBCGNYFUHQSC-ZDUSSCGKSA-N 0 1 281.808 3.615 20 0 CHADMN Cc1cnc([C@H](C)N[C@H]2C[C@@H](OC(C)C)C2(C)C)s1 ZINC000248704499 1129426289 /nfs/dbraw/zinc/42/62/89/1129426289.db2.gz AQHRLERGANXLEA-RWMBFGLXSA-N 0 1 282.453 3.694 20 0 CHADMN C[C@@H](C(=O)OCc1ccccc1Cl)N1[C@H](C)CC[C@@H]1C ZINC000741021526 1129426353 /nfs/dbraw/zinc/42/63/53/1129426353.db2.gz ORDUTVBRASMIOO-XQQFMLRXSA-N 0 1 295.810 3.645 20 0 CHADMN C[C@@H](C(=O)OCc1cccc(Cl)c1)N1[C@H](C)CC[C@@H]1C ZINC000741018397 1129426986 /nfs/dbraw/zinc/42/69/86/1129426986.db2.gz FLERALBDGPIYQT-XQQFMLRXSA-N 0 1 295.810 3.645 20 0 CHADMN CCC(=O)CCN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000248993067 1129435751 /nfs/dbraw/zinc/43/57/51/1129435751.db2.gz HMUYBFKHCVKAKU-WBMJQRKESA-N 0 1 275.392 3.737 20 0 CHADMN CC(C)c1ccc(-c2noc(-c3ccc(CN)o3)n2)cc1 ZINC000094555362 1129447550 /nfs/dbraw/zinc/44/75/50/1129447550.db2.gz FXGIAVRTOVWHLS-UHFFFAOYSA-N 0 1 283.331 3.579 20 0 CHADMN CCSCCN1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000741783463 1129453386 /nfs/dbraw/zinc/45/33/86/1129453386.db2.gz AKODXHWNKVUZNR-YCPHGPKFSA-N 0 1 279.449 3.590 20 0 CHADMN Cc1oc2ccccc2c1-c1nc(C2(N)CCCCC2)no1 ZINC000643940546 1129454668 /nfs/dbraw/zinc/45/46/68/1129454668.db2.gz KUWUKGBEXGVYLP-UHFFFAOYSA-N 0 1 297.358 3.909 20 0 CHADMN Cc1ccc(-c2csc(CN3CC[C@H]4C[C@H]43)n2)cc1 ZINC000795975881 1129460881 /nfs/dbraw/zinc/46/08/81/1129460881.db2.gz LCCRWGIUYVMYQF-DZGCQCFKSA-N 0 1 270.401 3.713 20 0 CHADMN CCCCCC[C@H](C)C(=O)N1CCN(C2CCCC2)CC1 ZINC000742045638 1129465641 /nfs/dbraw/zinc/46/56/41/1129465641.db2.gz OURAEIWXCFGPCB-INIZCTEOSA-N 0 1 294.483 3.680 20 0 CHADMN COCc1ccc(CNCc2c(C)cccc2F)cc1 ZINC000742380781 1129473292 /nfs/dbraw/zinc/47/32/92/1129473292.db2.gz SXQJONGQFRFMPN-UHFFFAOYSA-N 0 1 273.351 3.570 20 0 CHADMN CC(C)O[C@H](CN1CC[C@@H](C)[C@@H](F)C1)c1ccccc1 ZINC000644682242 1129474557 /nfs/dbraw/zinc/47/45/57/1129474557.db2.gz XJOBEXNKGBQPMM-HYVNUMGLSA-N 0 1 279.399 3.833 20 0 CHADMN C[C@@H](CF)NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000644890867 1129479525 /nfs/dbraw/zinc/47/95/25/1129479525.db2.gz QTQBUFWXPNIYEG-ZDUSSCGKSA-N 0 1 291.341 3.852 20 0 CHADMN CN(C)Cc1ccc(-c2ccccc2C(F)(F)F)nc1 ZINC001239544094 1131377418 /nfs/dbraw/zinc/37/74/18/1131377418.db2.gz UJYDDVOIJKYNHI-UHFFFAOYSA-N 0 1 280.293 3.829 20 0 CHADMN CCc1ccc(CN2C[C@H](C(F)(F)F)CC[C@@H]2C)nc1 ZINC000645113687 1129487817 /nfs/dbraw/zinc/48/78/17/1129487817.db2.gz BIVWBPIAZGKNCZ-WCQYABFASA-N 0 1 286.341 3.807 20 0 CHADMN C[C@@H](Cc1ccccc1F)[NH2+]Cc1cccc([O-])c1Cl ZINC000645150547 1129489142 /nfs/dbraw/zinc/48/91/42/1129489142.db2.gz ZOJBRPNCZYSIPI-NSHDSACASA-N 0 1 293.769 3.906 20 0 CHADMN CC[C@@H](CC(F)(F)F)NCc1cccc(O)c1Cl ZINC000645171710 1129490218 /nfs/dbraw/zinc/49/02/18/1129490218.db2.gz BJTFEXWTRNUFFI-VIFPVBQESA-N 0 1 281.705 3.866 20 0 CHADMN [O-]c1cccc(C[NH2+]CCCNc2ccccc2)c1Cl ZINC000645156491 1129489195 /nfs/dbraw/zinc/48/91/95/1129489195.db2.gz DBSWENZTUFLQAR-UHFFFAOYSA-N 0 1 290.794 3.637 20 0 CHADMN [O-]c1cccc(C[NH2+]CCc2ccc(F)cc2F)c1Cl ZINC000645155405 1129489293 /nfs/dbraw/zinc/48/92/93/1129489293.db2.gz UXTWUSMOIWPUIX-UHFFFAOYSA-N 0 1 297.732 3.656 20 0 CHADMN CCc1ccc(CNCc2cc(OC)ccc2F)cc1 ZINC000645151788 1129489475 /nfs/dbraw/zinc/48/94/75/1129489475.db2.gz KNXLMUPPDNBTSU-UHFFFAOYSA-N 0 1 273.351 3.687 20 0 CHADMN C[C@H](Cc1ccccc1F)[NH2+]Cc1cccc([O-])c1Cl ZINC000645150546 1129489560 /nfs/dbraw/zinc/48/95/60/1129489560.db2.gz ZOJBRPNCZYSIPI-LLVKDONJSA-N 0 1 293.769 3.906 20 0 CHADMN CC[C@@H](CC(F)(F)F)[NH2+]Cc1cccc([O-])c1Cl ZINC000645171710 1129490216 /nfs/dbraw/zinc/49/02/16/1129490216.db2.gz BJTFEXWTRNUFFI-VIFPVBQESA-N 0 1 281.705 3.866 20 0 CHADMN COC1CCC(CC[NH2+]Cc2cccc([O-])c2Cl)CC1 ZINC000645171753 1129490414 /nfs/dbraw/zinc/49/04/14/1129490414.db2.gz TXYHDPQQMYPXFB-UHFFFAOYSA-N 0 1 297.826 3.731 20 0 CHADMN CCCCC[C@H](C)CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000742628905 1129491935 /nfs/dbraw/zinc/49/19/35/1129491935.db2.gz XHOYNAOPOLGMEA-NSHDSACASA-N 0 1 290.367 3.610 20 0 CHADMN CC[C@@H](N[C@H](C)c1c[nH]nc1C)c1ccc(F)cc1F ZINC000180581445 1129494418 /nfs/dbraw/zinc/49/44/18/1129494418.db2.gz UVZXVLQHNUMNTG-RFAUZJTJSA-N 0 1 279.334 3.798 20 0 CHADMN C[C@@H]1CO[C@@H](c2ccccc2)CN1CC1=CCCC1 ZINC000645791134 1129506900 /nfs/dbraw/zinc/50/69/00/1129506900.db2.gz NBSHCDVRMLOXCL-RHSMWYFYSA-N 0 1 257.377 3.559 20 0 CHADMN CC(C)(C)c1cccc(-c2[nH]ccc3ncnc2-3)c1 ZINC001241296956 1129511771 /nfs/dbraw/zinc/51/17/71/1129511771.db2.gz NWOXKPBPKIXARM-UHFFFAOYSA-N 0 1 251.333 3.922 20 0 CHADMN CC(C)(C)c1cccc(-c2nccc3[nH]cnc32)c1 ZINC001241296956 1129511773 /nfs/dbraw/zinc/51/17/73/1129511773.db2.gz NWOXKPBPKIXARM-UHFFFAOYSA-N 0 1 251.333 3.922 20 0 CHADMN CC(C)c1nc(C2=CCN(C)CC2)cc(C(C)(C)C)n1 ZINC001241313190 1129514012 /nfs/dbraw/zinc/51/40/12/1129514012.db2.gz VHHQJWDTRCIMRX-UHFFFAOYSA-N 0 1 273.424 3.616 20 0 CHADMN Cc1cccc(C2(NCc3cn4ccccc4n3)CCC2)c1 ZINC000646020900 1129516846 /nfs/dbraw/zinc/51/68/46/1129516846.db2.gz GEDDKVZULDLYQB-UHFFFAOYSA-N 0 1 291.398 3.812 20 0 CHADMN CCc1noc(C)c1CN(Cc1ccc(C)nc1)CC1CC1 ZINC000646019655 1129517180 /nfs/dbraw/zinc/51/71/80/1129517180.db2.gz RZZLSVFHFMOVCA-UHFFFAOYSA-N 0 1 299.418 3.661 20 0 CHADMN Cc1ccc(CNC2(c3cccc(C)c3)CCC2)nc1 ZINC000646021983 1129518401 /nfs/dbraw/zinc/51/84/01/1129518401.db2.gz RNHUEAMZDJGJSN-UHFFFAOYSA-N 0 1 266.388 3.867 20 0 CHADMN CC(=O)c1ccc(NC(=O)c2c(O)cccc2Cl)cc1 ZINC000743298154 1129518845 /nfs/dbraw/zinc/51/88/45/1129518845.db2.gz TUEKUECGALWHNS-UHFFFAOYSA-N 0 1 289.718 3.501 20 0 CHADMN C[C@H](C(=O)c1c[nH]c2ncccc12)N(C)CCC(C)(C)C ZINC000646028675 1129518858 /nfs/dbraw/zinc/51/88/58/1129518858.db2.gz QDSKPGJWBZKBDB-GFCCVEGCSA-N 0 1 287.407 3.502 20 0 CHADMN CCc1nnc(CN2CC[C@H]([C@H]3CCCC3(C)C)C2)s1 ZINC000646052298 1129520285 /nfs/dbraw/zinc/52/02/85/1129520285.db2.gz KJCYWSAWIGQDMI-QWHCGFSZSA-N 0 1 293.480 3.749 20 0 CHADMN CCN(CCC(F)(F)F)Cc1ccsc1C ZINC000646069368 1129520620 /nfs/dbraw/zinc/52/06/20/1129520620.db2.gz RTYUQMXYTPPPNG-UHFFFAOYSA-N 0 1 251.317 3.831 20 0 CHADMN Cc1ccc2nc(CNC(=O)C3(C)CCCCCC3)[nH]c2c1 ZINC000180905493 1129520877 /nfs/dbraw/zinc/52/08/77/1129520877.db2.gz MXRWUSVBUGZTKI-UHFFFAOYSA-N 0 1 299.418 3.848 20 0 CHADMN Cc1ncc(CNC2(c3cccc(Cl)c3)CCC2)cn1 ZINC000646094969 1129521737 /nfs/dbraw/zinc/52/17/37/1129521737.db2.gz ACWALRLBBMTSEA-UHFFFAOYSA-N 0 1 287.794 3.607 20 0 CHADMN CCCCC[C@@H](C)NC(=O)[C@H](c1ccccc1)N(C)CC ZINC000303136633 1129530317 /nfs/dbraw/zinc/53/03/17/1129530317.db2.gz CXXCVTLMEHDTQV-WBVHZDCISA-N 0 1 290.451 3.764 20 0 CHADMN c1ccc2cc(CN3C[C@@]4(CCCO4)[C@H]3C3CC3)ccc2c1 ZINC000646295319 1129531813 /nfs/dbraw/zinc/53/18/13/1129531813.db2.gz MSYSQEXCKOXYBS-UXHICEINSA-N 0 1 293.410 3.983 20 0 CHADMN CC(C)c1ccc(NC(=O)[C@H]2C[C@H](C)Cc3cn[nH]c32)cc1 ZINC000646581393 1129540710 /nfs/dbraw/zinc/54/07/10/1129540710.db2.gz HTTKANQHBQHMAT-WBMJQRKESA-N 0 1 297.402 3.838 20 0 CHADMN CC(=O)c1ccc(F)c(Nc2ccnc(Cl)c2O)c1F ZINC001214757980 1129541344 /nfs/dbraw/zinc/54/13/44/1129541344.db2.gz FOSCAFQTFZZGBS-UHFFFAOYSA-N 0 1 298.676 3.665 20 0 CHADMN CCC[C@]1(C)CCCN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000743872644 1129542501 /nfs/dbraw/zinc/54/25/01/1129542501.db2.gz WVDQNGCIIVHHHG-NVXWUHKLSA-N 0 1 297.389 3.900 20 0 CHADMN CC(C)Cc1ccc(-c2nc(C3(N)CCCC3)no2)cc1 ZINC000647136530 1129551616 /nfs/dbraw/zinc/55/16/16/1129551616.db2.gz SFSIYYNIWGFTOL-UHFFFAOYSA-N 0 1 285.391 3.663 20 0 CHADMN CC/C(=C/c1nc([C@@H]2CCCN2)no1)c1ccc(C)cc1 ZINC000647149245 1129552599 /nfs/dbraw/zinc/55/25/99/1129552599.db2.gz HOAYVFKRVMNJKJ-HVCHUGMYSA-N 0 1 283.375 3.753 20 0 CHADMN COCc1ccc([C@H]2CCCN2CCC(=O)CC(C)C)o1 ZINC000828276648 1131381787 /nfs/dbraw/zinc/38/17/87/1131381787.db2.gz CAQCGMAGCBEJEW-MRXNPFEDSA-N 0 1 293.407 3.568 20 0 CHADMN C[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000252185725 1129556107 /nfs/dbraw/zinc/55/61/07/1129556107.db2.gz QUBUGHYIACSLGY-IINYFYTJSA-N 0 1 288.218 3.901 20 0 CHADMN CC(C)CN(C)Cn1ccn(Cc2ccccc2)c1=S ZINC000744152121 1129556534 /nfs/dbraw/zinc/55/65/34/1129556534.db2.gz YHDPPPISGISBIX-UHFFFAOYSA-N 0 1 289.448 3.613 20 0 CHADMN Cc1cc2cc(CNCc3ccnn3CC(C)C)ccc2[nH]1 ZINC000647210835 1129556626 /nfs/dbraw/zinc/55/66/26/1129556626.db2.gz BUAKIPDFJDXLTH-UHFFFAOYSA-N 0 1 296.418 3.619 20 0 CHADMN Cc1ccccc1C1(NCc2cnn(C(C)C)c2)CC1 ZINC000647224692 1129557894 /nfs/dbraw/zinc/55/78/94/1129557894.db2.gz UOSNWBHHCIBPLO-UHFFFAOYSA-N 0 1 269.392 3.551 20 0 CHADMN Cc1cnccc1CNC1(c2ccccc2F)CCC1 ZINC000647237142 1129559694 /nfs/dbraw/zinc/55/96/94/1129559694.db2.gz DUBNYPXNKNOTFJ-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN CN(Cc1cscn1)C(C)(C)Cc1ccccc1 ZINC001137597603 1131382298 /nfs/dbraw/zinc/38/22/98/1131382298.db2.gz CUQQDSMZJGXJDY-UHFFFAOYSA-N 0 1 260.406 3.596 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2cc3n(n2)CCCC3)cc1 ZINC000647283553 1129564360 /nfs/dbraw/zinc/56/43/60/1129564360.db2.gz DTNUEGGBHLEKOX-LSDHHAIUSA-N 0 1 283.419 3.940 20 0 CHADMN CCc1nc(C)c(CN[C@@H](CC(C)C)c2ccncc2)o1 ZINC000647305054 1129566201 /nfs/dbraw/zinc/56/62/01/1129566201.db2.gz NBGGSJKRATYJGB-HNNXBMFYSA-N 0 1 287.407 3.817 20 0 CHADMN COc1ccccc1C1(N[C@@H](C)c2cnccc2C)CC1 ZINC000647329459 1129569457 /nfs/dbraw/zinc/56/94/57/1129569457.db2.gz PXKZYVIMXNTPOG-AWEZNQCLSA-N 0 1 282.387 3.739 20 0 CHADMN CC[C@](C)(NC[C@]1(C)CC1(Cl)Cl)c1nccs1 ZINC000828333378 1131382902 /nfs/dbraw/zinc/38/29/02/1131382902.db2.gz GLDITLDWNXBVNL-QWRGUYRKSA-N 0 1 293.263 3.942 20 0 CHADMN OCC[C@H](N[C@@H]1CCCc2ccccc21)c1ccccc1F ZINC000647345423 1129572482 /nfs/dbraw/zinc/57/24/82/1129572482.db2.gz JEWXKCLHURAZOU-MOPGFXCFSA-N 0 1 299.389 3.916 20 0 CHADMN O=C(CCC1CCCCC1)Nc1n[nH]c2cc(O)ccc21 ZINC000647801498 1129584600 /nfs/dbraw/zinc/58/46/00/1129584600.db2.gz MZVLDJBABAGCLE-UHFFFAOYSA-N 0 1 287.363 3.568 20 0 CHADMN FC1(F)CCC(Nc2cc3c(cn2)CCC3)CC1 ZINC000648038901 1129593040 /nfs/dbraw/zinc/59/30/40/1129593040.db2.gz PFEKNWNWQBQYIP-UHFFFAOYSA-N 0 1 252.308 3.560 20 0 CHADMN c1nc(CN2CCC[C@H](CCc3ccccc3)C2)cs1 ZINC001137599176 1131384139 /nfs/dbraw/zinc/38/41/39/1131384139.db2.gz FPVFRBCFTAFCAD-MRXNPFEDSA-N 0 1 286.444 3.988 20 0 CHADMN Cc1cnc(CN2CC3(CC=CC3)[C@@H]2C(C)C)s1 ZINC000648072817 1129596119 /nfs/dbraw/zinc/59/61/19/1129596119.db2.gz RVAKSHJBMTXNHP-AWEZNQCLSA-N 0 1 262.422 3.628 20 0 CHADMN C[C@@H]1CN(Cc2coc3ccccc23)CC2(CCC2)O1 ZINC000648074377 1129596926 /nfs/dbraw/zinc/59/69/26/1129596926.db2.gz VLMXVZPRCRQLQZ-CYBMUJFWSA-N 0 1 271.360 3.576 20 0 CHADMN Cc1c(Cl)c(CN2CCCC[C@@H]2C2CCC2)nn1C ZINC000648077796 1129597459 /nfs/dbraw/zinc/59/74/59/1129597459.db2.gz IRSLKTMASQYWMZ-CQSZACIVSA-N 0 1 281.831 3.537 20 0 CHADMN Cc1occc1-c1noc([C@@H]2CC[C@@H]3CCCC[C@H]3N2)n1 ZINC000252827424 1129598356 /nfs/dbraw/zinc/59/83/56/1129598356.db2.gz HYUDBNKLWFXHOV-YUTCNCBUSA-N 0 1 287.363 3.621 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2ccccc2c1)c1nccn1C ZINC000182196223 1129600323 /nfs/dbraw/zinc/60/03/23/1129600323.db2.gz SLEHNJWOOCXRME-UONOGXRCSA-N 0 1 279.387 3.985 20 0 CHADMN Cc1cc(-c2ccc3[nH]cnc3c2)ncc1C(F)(F)F ZINC001241685869 1129602513 /nfs/dbraw/zinc/60/25/13/1129602513.db2.gz SIJFDEZEKLVCAZ-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN CCN(CCC(F)(F)F)Cc1cc(F)cc(OC)c1 ZINC000648365459 1129603902 /nfs/dbraw/zinc/60/39/02/1129603902.db2.gz QKYJDCSOVGBSEB-UHFFFAOYSA-N 0 1 279.277 3.609 20 0 CHADMN Fc1cnccc1CN1CCC(C2CCCC2)CC1 ZINC000648378769 1129604366 /nfs/dbraw/zinc/60/43/66/1129604366.db2.gz MVQKANRLKPHUNB-UHFFFAOYSA-N 0 1 262.372 3.623 20 0 CHADMN CCCOc1ccc2c(c1)CC[N@H+](Cc1ccncc1C)C2 ZINC000648381277 1129604480 /nfs/dbraw/zinc/60/44/80/1129604480.db2.gz JNVXGXCXACMLDJ-UHFFFAOYSA-N 0 1 296.414 3.737 20 0 CHADMN CCCOc1ccc2c(c1)CCN(Cc1ccncc1C)C2 ZINC000648381277 1129604482 /nfs/dbraw/zinc/60/44/82/1129604482.db2.gz JNVXGXCXACMLDJ-UHFFFAOYSA-N 0 1 296.414 3.737 20 0 CHADMN OC1(c2ccccc2Cl)CCN(CC2=CCCC2)CC1 ZINC000828433843 1131385523 /nfs/dbraw/zinc/38/55/23/1131385523.db2.gz DHMPZIQINMSOGD-UHFFFAOYSA-N 0 1 291.822 3.734 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccc(F)c(C)c2)nc1 ZINC000648635831 1129617448 /nfs/dbraw/zinc/61/74/48/1129617448.db2.gz NWBMZRSFTLDDFF-CYBMUJFWSA-N 0 1 288.366 3.779 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1ccc(SC)cc1)C(F)(F)F ZINC000746046603 1129623467 /nfs/dbraw/zinc/62/34/67/1129623467.db2.gz BQIREBXSALEYMX-CABZTGNLSA-N 0 1 293.354 3.636 20 0 CHADMN C[C@H](NCc1nc2cc(F)ccc2n1C)c1ccccc1 ZINC000746049569 1129623663 /nfs/dbraw/zinc/62/36/63/1129623663.db2.gz QVJLCRVKBLBYBM-LBPRGKRZSA-N 0 1 283.350 3.563 20 0 CHADMN COc1ccccc1CNCc1ccc(Cl)c(OC)c1 ZINC000648816894 1129626639 /nfs/dbraw/zinc/62/66/39/1129626639.db2.gz OTDPNARRNMQFSJ-UHFFFAOYSA-N 0 1 291.778 3.647 20 0 CHADMN CCOc1ccc(Cl)c(Nc2c(C)ncn2C)c1 ZINC001212575724 1129627203 /nfs/dbraw/zinc/62/72/03/1129627203.db2.gz ULGCKMKGQQZAMT-UHFFFAOYSA-N 0 1 265.744 3.524 20 0 CHADMN COc1ccc2nc(SC/C(Cl)=C\Cl)[nH]c2c1 ZINC000746138978 1129627229 /nfs/dbraw/zinc/62/72/29/1129627229.db2.gz HXFRYZJLVWHEQT-FNORWQNLSA-N 0 1 289.187 3.983 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)c1 ZINC000648853598 1129627995 /nfs/dbraw/zinc/62/79/95/1129627995.db2.gz KHGZZXHQCBDTDF-QWHCGFSZSA-N 0 1 289.375 3.606 20 0 CHADMN CN(CCC(C)(C)C)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000649026760 1129632397 /nfs/dbraw/zinc/63/23/97/1129632397.db2.gz DMLZEHGDOUMJGN-UHFFFAOYSA-N 0 1 291.420 3.646 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H](C2CCC2)C2CCCCC2)c1C ZINC000649112051 1129632983 /nfs/dbraw/zinc/63/29/83/1129632983.db2.gz KJVBUNVYHMOYBL-INIZCTEOSA-N 0 1 289.423 3.505 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H]1CCc2ccc(F)cc21 ZINC000187101320 1129635520 /nfs/dbraw/zinc/63/55/20/1129635520.db2.gz ILPUVRSRXKQRAW-ZBEGNZNMSA-N 0 1 286.350 3.567 20 0 CHADMN CC(C)[C@H](N[C@@H]1CCC12CCCC2)c1nc(C2CC2)no1 ZINC000189165797 1129637847 /nfs/dbraw/zinc/63/78/47/1129637847.db2.gz VGMZISANBVKLQS-KGLIPLIRSA-N 0 1 289.423 3.957 20 0 CHADMN Cc1nc2ccc(Nc3ccnc(C(C)(C)C)n3)cc2[nH]1 ZINC001213073232 1129638199 /nfs/dbraw/zinc/63/81/99/1129638199.db2.gz KGBKMKBDDLGFRH-UHFFFAOYSA-N 0 1 281.363 3.702 20 0 CHADMN CC(C)CC(=O)CCN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000828476980 1131387632 /nfs/dbraw/zinc/38/76/32/1131387632.db2.gz DLTARBNSDWQHFI-OLZOCXBDSA-N 0 1 292.250 3.507 20 0 CHADMN [O-]c1cccc2c(NCCCC3CCOCC3)cc[nH+]c12 ZINC000649381081 1129643116 /nfs/dbraw/zinc/64/31/16/1129643116.db2.gz BGIRTMYQRPIICG-UHFFFAOYSA-N 0 1 286.375 3.559 20 0 CHADMN Clc1csc(CNCc2ccc(Cl)nc2)c1 ZINC000193012942 1129644060 /nfs/dbraw/zinc/64/40/60/1129644060.db2.gz KUYBUAZXJAOJLK-UHFFFAOYSA-N 0 1 273.188 3.740 20 0 CHADMN COc1cc(CN[C@H](C)c2cnccc2C)ccc1Cl ZINC000649421757 1129644671 /nfs/dbraw/zinc/64/46/71/1129644671.db2.gz DBOAHVWUNSBHJC-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CC(C)(C)Oc1ccc(-c2ccc3nc(CO)[nH]c3c2)cc1 ZINC000649426469 1129645907 /nfs/dbraw/zinc/64/59/07/1129645907.db2.gz HNIFLWYOVMADGJ-UHFFFAOYSA-N 0 1 296.370 3.900 20 0 CHADMN CCc1cccc(-c2ccc(CN(C)C)c(F)c2)n1 ZINC000649438140 1129648818 /nfs/dbraw/zinc/64/88/18/1129648818.db2.gz VTCDTMNWYOXVRL-UHFFFAOYSA-N 0 1 258.340 3.512 20 0 CHADMN FC(F)(F)c1cc(-c2ccc3c(c2)ncn3C2CC2)[nH]n1 ZINC000649444972 1129650352 /nfs/dbraw/zinc/65/03/52/1129650352.db2.gz GCBZQMLGKQSAOS-UHFFFAOYSA-N 0 1 292.264 3.780 20 0 CHADMN CN(CCCCc1ccccc1)Cc1cc2n(n1)CCCC2 ZINC000649488956 1129653553 /nfs/dbraw/zinc/65/35/53/1129653553.db2.gz GQYRRVKIMPAKRA-UHFFFAOYSA-N 0 1 297.446 3.674 20 0 CHADMN Cc1cncc(CCN(C)[C@H](C)c2ccccc2Cl)n1 ZINC000649489914 1129653661 /nfs/dbraw/zinc/65/36/61/1129653661.db2.gz MBHASGQBDGYAFR-CYBMUJFWSA-N 0 1 289.810 3.674 20 0 CHADMN Cc1cccc(CN[C@H]2C[C@@H](C)c3ccccc32)n1 ZINC000388645382 1129655470 /nfs/dbraw/zinc/65/54/70/1129655470.db2.gz YMFJBGAQPLYHRI-PXAZEXFGSA-N 0 1 252.361 3.728 20 0 CHADMN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc2n(n1)CCCC2 ZINC000649541183 1129655908 /nfs/dbraw/zinc/65/59/08/1129655908.db2.gz ULNRBUBVEBBVMI-GOSISDBHSA-N 0 1 297.446 3.673 20 0 CHADMN CC[C@H](OCCN(C)Cc1cccnc1)c1ccccc1 ZINC000649567420 1129658416 /nfs/dbraw/zinc/65/84/16/1129658416.db2.gz QENIBBGPQHTGFQ-SFHVURJKSA-N 0 1 284.403 3.681 20 0 CHADMN CC(C)C[C@@H](NCc1cc2n(n1)CCC2)c1cccs1 ZINC000649583178 1129661038 /nfs/dbraw/zinc/66/10/38/1129661038.db2.gz DCFCFSMASJLRKP-OAHLLOKOSA-N 0 1 289.448 3.768 20 0 CHADMN CC(C)c1ccc(CN[C@](C)(CO)c2cccc(O)c2)cc1 ZINC000649624735 1129663824 /nfs/dbraw/zinc/66/38/24/1129663824.db2.gz OLROTDCXQCNMNJ-LJQANCHMSA-N 0 1 299.414 3.513 20 0 CHADMN Cc1nnsc1CN1CC(C)(C)C[C@H]1c1ccccc1 ZINC000649632598 1129664909 /nfs/dbraw/zinc/66/49/09/1129664909.db2.gz QBNIAXHLIJGJFN-AWEZNQCLSA-N 0 1 287.432 3.820 20 0 CHADMN Cc1nc(C)c(CNC2(c3ccccc3C)CCC2)o1 ZINC000649644482 1129665789 /nfs/dbraw/zinc/66/57/89/1129665789.db2.gz DNKUPJWSBYISCC-UHFFFAOYSA-N 0 1 270.376 3.769 20 0 CHADMN c1cn(C2CCCC2)nc1CN1CCC12CCCC2 ZINC000649656997 1129666856 /nfs/dbraw/zinc/66/68/56/1129666856.db2.gz ISVURYZVAWVGLT-UHFFFAOYSA-N 0 1 259.397 3.517 20 0 CHADMN C[C@@]1(c2cccc(F)c2)CCN(Cc2ccncc2F)C1 ZINC000649662076 1129667784 /nfs/dbraw/zinc/66/77/84/1129667784.db2.gz UXKCDHYMYMDXRR-QGZVFWFLSA-N 0 1 288.341 3.523 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CCC(C2(O)CC2)CC1 ZINC000649671517 1129669601 /nfs/dbraw/zinc/66/96/01/1129669601.db2.gz ZAZAOPQRHKPALQ-MRXNPFEDSA-N 0 1 295.373 3.653 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N1CCC(C2(O)CC2)CC1 ZINC000649671150 1129669718 /nfs/dbraw/zinc/66/97/18/1129669718.db2.gz KVIPHQLKCHSQCU-NSHDSACASA-N 0 1 297.801 3.777 20 0 CHADMN C[C@]1(Cc2cccc(Cl)c2)CCCN1Cc1ccon1 ZINC000649684691 1129670446 /nfs/dbraw/zinc/67/04/46/1129670446.db2.gz ZOAVHTQYPRLHIC-MRXNPFEDSA-N 0 1 290.794 3.925 20 0 CHADMN CSc1cc(C)ccc1NC(=O)[C@@H]1CCCN1C(C)C ZINC000822624355 1131389663 /nfs/dbraw/zinc/38/96/63/1131389663.db2.gz BFJJDJHCNVPGFY-AWEZNQCLSA-N 0 1 292.448 3.528 20 0 CHADMN Cc1nc2cc(NCCCCc3ccccn3)ccc2[nH]1 ZINC001168795782 1129671862 /nfs/dbraw/zinc/67/18/62/1129671862.db2.gz SKTKACZBEGDIKT-UHFFFAOYSA-N 0 1 280.375 3.701 20 0 CHADMN c1csc(CN2CCOC[C@@H]2C2CCCCC2)c1 ZINC001204016731 1129675995 /nfs/dbraw/zinc/67/59/95/1129675995.db2.gz HSGUFFNRLZXWCN-OAHLLOKOSA-N 0 1 265.422 3.529 20 0 CHADMN Cc1csc(CN2CCc3ccc(F)cc3[C@H](C)C2)n1 ZINC000649894380 1129684045 /nfs/dbraw/zinc/68/40/45/1129684045.db2.gz KEORUQDHIGBQOQ-LLVKDONJSA-N 0 1 290.407 3.752 20 0 CHADMN FC(F)(F)c1ccccc1CN1CC[C@]2(CC2(F)F)C1 ZINC000649899250 1129684350 /nfs/dbraw/zinc/68/43/50/1129684350.db2.gz BQMINGNWENTNNK-LBPRGKRZSA-N 0 1 291.263 3.937 20 0 CHADMN CCOC(=O)/C=C\CN[C@H](C)c1oc2ccccc2c1C ZINC001168984048 1129686811 /nfs/dbraw/zinc/68/68/11/1129686811.db2.gz ZJUGGLVASJBRNY-PGJNLMOESA-N 0 1 287.359 3.511 20 0 CHADMN CC(C)=CCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649916713 1129687030 /nfs/dbraw/zinc/68/70/30/1129687030.db2.gz LMFOTVZUCIVYEE-BZSNNMDCSA-N 0 1 271.404 3.947 20 0 CHADMN C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001169013555 1129689887 /nfs/dbraw/zinc/68/98/87/1129689887.db2.gz IEXZTCSVFYLWBF-XJKSGUPXSA-N 0 1 297.402 3.518 20 0 CHADMN Cc1cnc(CN)n1-c1cc(C)c2cccc(C(C)C)c2n1 ZINC001169027717 1129690161 /nfs/dbraw/zinc/69/01/61/1129690161.db2.gz HNXZBOFYXAXDHC-UHFFFAOYSA-N 0 1 294.402 3.619 20 0 CHADMN CN(C)Cc1cccc(NC(C)(C)CC(C)(C)C)n1 ZINC001169052315 1129692752 /nfs/dbraw/zinc/69/27/52/1129692752.db2.gz LHCYMDWRRCRNAQ-UHFFFAOYSA-N 0 1 263.429 3.770 20 0 CHADMN CCCN(CCC(C)(C)CC)CC(=O)OC(C)(C)C ZINC001169091492 1129700238 /nfs/dbraw/zinc/70/02/38/1129700238.db2.gz OQBFHSREHFMGDN-UHFFFAOYSA-N 0 1 271.445 3.866 20 0 CHADMN C[C@H](c1nc(C2(N)CCCC2)no1)c1ccc(Cl)cc1 ZINC000650228029 1129701812 /nfs/dbraw/zinc/70/18/12/1129701812.db2.gz RLFDCOKQHMDDFC-JTQLQIEISA-N 0 1 291.782 3.603 20 0 CHADMN CCCC[C@H](CC)CN[C@@H](CC)c1noc(C)n1 ZINC001169113183 1129703273 /nfs/dbraw/zinc/70/32/73/1129703273.db2.gz SEYGPRVCWCSVSV-STQMWFEESA-N 0 1 253.390 3.635 20 0 CHADMN CC1(CN2CCc3cc(Br)ccc3C2)CCC1 ZINC001169215832 1129708867 /nfs/dbraw/zinc/70/88/67/1129708867.db2.gz COBLFFZHDKSDRQ-UHFFFAOYSA-N 0 1 294.236 3.997 20 0 CHADMN c1nc2cc(-c3noc([C@@H]4C[C@@H]4C4CCCC4)n3)ccc2[nH]1 ZINC000650558023 1129713694 /nfs/dbraw/zinc/71/36/94/1129713694.db2.gz AFDUYAAVUBDLAK-CHWSQXEVSA-N 0 1 294.358 3.907 20 0 CHADMN Cc1cc2nccn2cc1N[C@H](C1CCC1)C(F)(F)F ZINC001169285728 1129715822 /nfs/dbraw/zinc/71/58/22/1129715822.db2.gz QRRKMDMCAOHPLK-CYBMUJFWSA-N 0 1 283.297 3.786 20 0 CHADMN CC[C@@]1(C)C[N@H+]([C@@H](C)c2ccc3c(c2)CCC3)CCO1 ZINC001169342389 1129719283 /nfs/dbraw/zinc/71/92/83/1129719283.db2.gz LVYJAHFAMZTBLN-KSSFIOAISA-N 0 1 273.420 3.737 20 0 CHADMN CC[C@@]1(C)CN([C@@H](C)c2ccc3c(c2)CCC3)CCO1 ZINC001169342389 1129719285 /nfs/dbraw/zinc/71/92/85/1129719285.db2.gz LVYJAHFAMZTBLN-KSSFIOAISA-N 0 1 273.420 3.737 20 0 CHADMN C[C@H]1C[C@@H](Nc2cccc(CN(C)C)n2)c2ccccc21 ZINC001169379639 1129723229 /nfs/dbraw/zinc/72/32/29/1129723229.db2.gz XRTKNYUDPZPJFH-SUMWQHHRSA-N 0 1 281.403 3.804 20 0 CHADMN CC(C)C[C@H](CO)N(C)Cc1cccc(Cl)c1Cl ZINC001169484046 1129729091 /nfs/dbraw/zinc/72/90/91/1129729091.db2.gz YKMCEWXDPSFUGH-GFCCVEGCSA-N 0 1 290.234 3.832 20 0 CHADMN C[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000380321303 1129729377 /nfs/dbraw/zinc/72/93/77/1129729377.db2.gz FLXGQRIAKHBLBM-SNVBAGLBSA-N 0 1 282.771 3.869 20 0 CHADMN O[C@H]1C[C@H](CNCc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000720962938 1129730404 /nfs/dbraw/zinc/73/04/04/1129730404.db2.gz PKCNKDUFPBPERI-ZKCHVHJHSA-N 0 1 294.609 3.507 20 0 CHADMN Cc1ccnc(NC[C@H](C)c2ccc(O)cc2)c1C ZINC001169535283 1129733523 /nfs/dbraw/zinc/73/35/23/1129733523.db2.gz MEJVPKGVTDTWTN-LBPRGKRZSA-N 0 1 256.349 3.620 20 0 CHADMN CC[C@@H](NCc1nn(C)c2ccccc12)c1ccsc1 ZINC000651326155 1129736973 /nfs/dbraw/zinc/73/69/73/1129736973.db2.gz XZKMXJZPGJACRX-CQSZACIVSA-N 0 1 285.416 3.876 20 0 CHADMN Cc1ccc(CN(C2CCC2)C2CCC2)c(Cl)n1 ZINC000839028883 1129738137 /nfs/dbraw/zinc/73/81/37/1129738137.db2.gz VMCQANRDZAPBOT-UHFFFAOYSA-N 0 1 264.800 3.950 20 0 CHADMN CC[C@@H](C)C[C@@H](CC)NC(CC)(CC)C(=O)OC ZINC001258787022 1129744744 /nfs/dbraw/zinc/74/47/44/1129744744.db2.gz DLEBVLJHRFXAIU-CHWSQXEVSA-N 0 1 257.418 3.523 20 0 CHADMN C[C@@H]1CCCCC[C@@H]1NC1(c2noc(C(F)F)n2)CCC1 ZINC000651815855 1129749128 /nfs/dbraw/zinc/74/91/28/1129749128.db2.gz PMRDOLSYIIGQNR-MNOVXSKESA-N 0 1 299.365 3.945 20 0 CHADMN Cc1cccc(CCN2CC[C@](F)(c3ccccc3C)C2)n1 ZINC001169716809 1129750112 /nfs/dbraw/zinc/75/01/12/1129750112.db2.gz WOWUGMSPCLCOLZ-LJQANCHMSA-N 0 1 298.405 3.812 20 0 CHADMN CC[C@]1(C)CCC[C@H]1NCc1noc(-c2cccs2)n1 ZINC000651822973 1129750482 /nfs/dbraw/zinc/75/04/82/1129750482.db2.gz QVRSIBXGHXNLNQ-IUODEOHRSA-N 0 1 291.420 3.857 20 0 CHADMN CN(C)c1ccccc1CN1CC[C@@](F)(c2ccccc2)C1 ZINC001169746332 1129751787 /nfs/dbraw/zinc/75/17/87/1129751787.db2.gz XYGGFNQDUKYOJR-IBGZPJMESA-N 0 1 298.405 3.823 20 0 CHADMN [O-]c1cccc(C[NH2+]C2(C3CCC3)CC2)c1Br ZINC000651958499 1129752699 /nfs/dbraw/zinc/75/26/99/1129752699.db2.gz CEZTVGQPJLZSCW-UHFFFAOYSA-N 0 1 296.208 3.577 20 0 CHADMN Cc1nc2ccc(C[N@H+]3CC[C@@]4(CC4(F)F)C3)cc2s1 ZINC000652063931 1129757230 /nfs/dbraw/zinc/75/72/30/1129757230.db2.gz YIOVDGNAJWREKZ-CQSZACIVSA-N 0 1 294.370 3.836 20 0 CHADMN C[C@H](NC1(c2ccccc2Cl)CCC1)c1cn[nH]c1 ZINC000652216163 1129760076 /nfs/dbraw/zinc/76/00/76/1129760076.db2.gz KHDWBQAXDJCDND-NSHDSACASA-N 0 1 275.783 3.793 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@H](C)COCC2CC2)cs1 ZINC000652287511 1129762801 /nfs/dbraw/zinc/76/28/01/1129762801.db2.gz ZBVKWOMWQLBRLQ-VXGBXAGGSA-N 0 1 282.453 3.732 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](C)CC[C@H](C(=O)[O-])c1ccccc1 ZINC000652389206 1129764248 /nfs/dbraw/zinc/76/42/48/1129764248.db2.gz CJJVCXDWTCHHIW-ZFWWWQNUSA-N 0 1 287.359 3.531 20 0 CHADMN Cc1cc([C@H](C)[N@@H+](C)Cc2ccsc2)oc1C(=O)[O-] ZINC000652380051 1129764337 /nfs/dbraw/zinc/76/43/37/1129764337.db2.gz CHVMXHISVGESMZ-JTQLQIEISA-N 0 1 279.361 3.541 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@H+]1CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000652425168 1129764635 /nfs/dbraw/zinc/76/46/35/1129764635.db2.gz DRMLXDSHAKPNJW-HZPDHXFCSA-N 0 1 289.419 3.755 20 0 CHADMN c1cc2cc(NCC3CCSCC3)ccc2cn1 ZINC000653463937 1129779646 /nfs/dbraw/zinc/77/96/46/1129779646.db2.gz DTISGYAFCASINJ-UHFFFAOYSA-N 0 1 258.390 3.790 20 0 CHADMN C[C@]1(CNc2ccc3cnccc3c2)CCCS1 ZINC000653467330 1129780369 /nfs/dbraw/zinc/78/03/69/1129780369.db2.gz LAPSIPPBOSFTNJ-OAHLLOKOSA-N 0 1 258.390 3.932 20 0 CHADMN C[C@@H](Nc1ccc2cnccc2c1)[C@@H]1CCCCO1 ZINC000653465994 1129780456 /nfs/dbraw/zinc/78/04/56/1129780456.db2.gz VDOOJWPVCGQGNE-WBMJQRKESA-N 0 1 256.349 3.604 20 0 CHADMN CC/C=C\CCN(C)Cc1ccn(-c2ccccc2)n1 ZINC000767298090 1129784502 /nfs/dbraw/zinc/78/45/02/1129784502.db2.gz WWNZFCFXYYEHOE-PLNGDYQASA-N 0 1 269.392 3.660 20 0 CHADMN CC/C=C\CCN(C)CC(=O)Nc1ccccc1Cl ZINC000767292476 1129784537 /nfs/dbraw/zinc/78/45/37/1129784537.db2.gz GAZJHHYIBGEGCS-PLNGDYQASA-N 0 1 280.799 3.567 20 0 CHADMN Cc1ccc(C2=CCN([C@H](C)c3cnccn3)CC2)cc1 ZINC000767300598 1129784788 /nfs/dbraw/zinc/78/47/88/1129784788.db2.gz SYEGCHQTXHHOPR-OAHLLOKOSA-N 0 1 279.387 3.635 20 0 CHADMN CC(C)(C)OC(=O)c1cccc(-c2cccc(F)c2O)n1 ZINC001242349500 1129788219 /nfs/dbraw/zinc/78/82/19/1129788219.db2.gz SEKABLUUQOCPEG-UHFFFAOYSA-N 0 1 289.306 3.549 20 0 CHADMN Cc1cc(CN[C@H](c2cnn(C)c2)C(C)(C)C)c(C)o1 ZINC000767374505 1129789667 /nfs/dbraw/zinc/78/96/67/1129789667.db2.gz IRELEHIQKXLHDO-OAHLLOKOSA-N 0 1 275.396 3.507 20 0 CHADMN Cc1csc2ncnc(-c3cccc(F)c3O)c12 ZINC001242348369 1129789673 /nfs/dbraw/zinc/78/96/73/1129789673.db2.gz SBHJKACXXKNYCB-UHFFFAOYSA-N 0 1 260.293 3.511 20 0 CHADMN Cc1[nH]c2ccc(-c3noc([C@H]4CCCCN4)n3)cc2c1C ZINC000822760896 1131398035 /nfs/dbraw/zinc/39/80/35/1131398035.db2.gz STOSDWVQDAXHCT-OAHLLOKOSA-N 0 1 296.374 3.649 20 0 CHADMN CC[C@@H](NCc1cn(C)nc1C(F)F)c1ccccc1F ZINC000653791073 1129795677 /nfs/dbraw/zinc/79/56/77/1129795677.db2.gz DBPGYZRLIAECOE-CYBMUJFWSA-N 0 1 297.324 3.738 20 0 CHADMN CCC[C@H](C)NC(=O)[C@@H](C)N[C@H](CC)c1ccccc1F ZINC000653792643 1129795719 /nfs/dbraw/zinc/79/57/19/1129795719.db2.gz PVCILCDLFVOPDB-WOSRLPQWSA-N 0 1 294.414 3.560 20 0 CHADMN Oc1c(Cl)cccc1-c1cnc2[nH]ccc2c1F ZINC001242366006 1129797188 /nfs/dbraw/zinc/79/71/88/1129797188.db2.gz DFPXQKHFQPAYBD-UHFFFAOYSA-N 0 1 262.671 3.680 20 0 CHADMN CC[NH+](CC)Cc1cncc(-c2cccc(Cl)c2[O-])c1 ZINC001242367703 1129799042 /nfs/dbraw/zinc/79/90/42/1129799042.db2.gz QINPFJZUJMSUFX-UHFFFAOYSA-N 0 1 290.794 3.949 20 0 CHADMN CCOC(CN(C)Cc1ccc(C(C)C)cc1)OCC ZINC000767763905 1129812555 /nfs/dbraw/zinc/81/25/55/1129812555.db2.gz RNUJEEFNXKOVBV-UHFFFAOYSA-N 0 1 279.424 3.641 20 0 CHADMN c1csc(-c2nc(CNCCOC3CCC3)cs2)c1 ZINC000742385577 1129818349 /nfs/dbraw/zinc/81/83/49/1129818349.db2.gz JLRIZRVXRUQJCD-UHFFFAOYSA-N 0 1 294.445 3.530 20 0 CHADMN Cc1csc(CNCc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000380831607 1129832021 /nfs/dbraw/zinc/83/20/21/1129832021.db2.gz TVGYJWOHZZIULB-UHFFFAOYSA-N 0 1 296.779 3.908 20 0 CHADMN CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000380903238 1129833188 /nfs/dbraw/zinc/83/31/88/1129833188.db2.gz ZEANPWGLWVYHLO-NXEZZACHSA-N 0 1 258.818 3.807 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N(Cc2cnc(Cl)s2)C1 ZINC000380903238 1129833191 /nfs/dbraw/zinc/83/31/91/1129833191.db2.gz ZEANPWGLWVYHLO-NXEZZACHSA-N 0 1 258.818 3.807 20 0 CHADMN Cc1ccc(CCC(=O)Nc2nc3ccc(C)cc3[nH]2)cc1 ZINC001129385215 1129834051 /nfs/dbraw/zinc/83/40/51/1129834051.db2.gz QDTUKTTZUQEHEB-UHFFFAOYSA-N 0 1 293.370 3.751 20 0 CHADMN C[C@H](N[C@H]1CCc2c1cccc2O)c1ccc(C#N)c(F)c1 ZINC000271952680 1129838449 /nfs/dbraw/zinc/83/84/49/1129838449.db2.gz PBKGOWQTAYURRB-GTNSWQLSSA-N 0 1 296.345 3.741 20 0 CHADMN CN(Cc1ccoc1)Cc1ccccc1N1CCCCC1 ZINC000768207953 1129840278 /nfs/dbraw/zinc/84/02/78/1129840278.db2.gz QSNQLWAQGFGFNP-UHFFFAOYSA-N 0 1 284.403 3.902 20 0 CHADMN CN(Cc1ccco1)Cc1ccccc1N1CCCCC1 ZINC000768187141 1129841239 /nfs/dbraw/zinc/84/12/39/1129841239.db2.gz QMHKZAABVGSLFD-UHFFFAOYSA-N 0 1 284.403 3.902 20 0 CHADMN Cc1ccc2ncc(CN3Cc4ccccc4[C@@H](C)C3)n2c1 ZINC000768195563 1129841917 /nfs/dbraw/zinc/84/19/17/1129841917.db2.gz MVYVSVDUYONBFA-HNNXBMFYSA-N 0 1 291.398 3.762 20 0 CHADMN COc1ccsc1CN1Cc2ccccc2[C@H](C)C1 ZINC000768194844 1129842962 /nfs/dbraw/zinc/84/29/62/1129842962.db2.gz GPAHMTUZXWGWHZ-GFCCVEGCSA-N 0 1 273.401 3.876 20 0 CHADMN Cc1cccn2c(CN3Cc4ccccc4[C@@H](C)C3)cnc12 ZINC000768194558 1129842996 /nfs/dbraw/zinc/84/29/96/1129842996.db2.gz AXOWGOXJYBVVMS-HNNXBMFYSA-N 0 1 291.398 3.762 20 0 CHADMN CCc1nn(C)c(Cl)c1CN(CCC(C)C)C1CC1 ZINC000768256300 1129846701 /nfs/dbraw/zinc/84/67/01/1129846701.db2.gz BFZVIAXFESOPLT-UHFFFAOYSA-N 0 1 283.847 3.646 20 0 CHADMN CCCCn1nc(C)c(CN(CC)C(C)C)c1Cl ZINC000768236924 1129847524 /nfs/dbraw/zinc/84/75/24/1129847524.db2.gz MSSAEYSUFHLTRJ-UHFFFAOYSA-N 0 1 271.836 3.875 20 0 CHADMN CCc1nn(C)c(Cl)c1CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000768261306 1129848891 /nfs/dbraw/zinc/84/88/91/1129848891.db2.gz AVNJSFYSQQBSJD-NEPJUHHUSA-N 0 1 283.847 3.646 20 0 CHADMN CSCc1ccc(CNCc2ccc(C)c(C)n2)cc1 ZINC000725123736 1129852999 /nfs/dbraw/zinc/85/29/99/1129852999.db2.gz RGVKIZFEZGOERS-UHFFFAOYSA-N 0 1 286.444 3.851 20 0 CHADMN Cc1nc([C@@H](C)NC[C@]2(C)CC2(Cl)Cl)cs1 ZINC000828816477 1131402315 /nfs/dbraw/zinc/40/23/15/1131402315.db2.gz WXFDNHBRCMWHKT-XCBNKYQSSA-N 0 1 279.236 3.686 20 0 CHADMN C[C@@H](N(C)Cc1occc1Br)C(C)(C)C ZINC000768542805 1129862740 /nfs/dbraw/zinc/86/27/40/1129862740.db2.gz HQBIAIORSVSPRZ-SECBINFHSA-N 0 1 274.202 3.909 20 0 CHADMN CC[C@@H]1CN(Cc2cccc(C(C)(C)C)c2)[C@H](C)CO1 ZINC001460339527 1129865346 /nfs/dbraw/zinc/86/53/46/1129865346.db2.gz OKQUPKRMELKYSJ-RHSMWYFYSA-N 0 1 275.436 3.983 20 0 CHADMN CCCC[C@H](C)C(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000800402486 1129869891 /nfs/dbraw/zinc/86/98/91/1129869891.db2.gz ZNTRGDKQASKDOS-LSDHHAIUSA-N 0 1 293.407 3.614 20 0 CHADMN CCCC[C@H](C)C(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000800402486 1129869895 /nfs/dbraw/zinc/86/98/95/1129869895.db2.gz ZNTRGDKQASKDOS-LSDHHAIUSA-N 0 1 293.407 3.614 20 0 CHADMN C[C@@H]1CCN(C(=O)c2cc(C(F)F)n[nH]2)c2ccccc21 ZINC000900254750 1129872421 /nfs/dbraw/zinc/87/24/21/1129872421.db2.gz NAHGSZWXCWMEKS-SECBINFHSA-N 0 1 291.301 3.501 20 0 CHADMN Cc1cc(Cl)ccc1CSc1nc(C2CC2)n[nH]1 ZINC000768794449 1129874767 /nfs/dbraw/zinc/87/47/67/1129874767.db2.gz PGMHCUACYOSLOL-UHFFFAOYSA-N 0 1 279.796 3.936 20 0 CHADMN Cc1cc(Cl)ccc1CSc1n[nH]c(C2CC2)n1 ZINC000768794449 1129874771 /nfs/dbraw/zinc/87/47/71/1129874771.db2.gz PGMHCUACYOSLOL-UHFFFAOYSA-N 0 1 279.796 3.936 20 0 CHADMN CCc1cccc(C)c1NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000900306496 1129876852 /nfs/dbraw/zinc/87/68/52/1129876852.db2.gz YRCPRBXXJBWQQS-MEDUHNTESA-N 0 1 297.402 3.585 20 0 CHADMN Cc1cc(CN2CCOc3ccccc3[C@@H]2C)c(C)o1 ZINC000768928869 1129882058 /nfs/dbraw/zinc/88/20/58/1129882058.db2.gz FAWWGOSYQQNGCI-ZDUSSCGKSA-N 0 1 271.360 3.852 20 0 CHADMN CC(C)c1cccc(N(C)C(=O)c2cc(C(F)F)n[nH]2)c1 ZINC000900372160 1129882272 /nfs/dbraw/zinc/88/22/72/1129882272.db2.gz QGOZAEAQJMKTKF-UHFFFAOYSA-N 0 1 293.317 3.747 20 0 CHADMN Cc1cc(CN(C)C[C@H]2OCCc3ccccc32)c(C)o1 ZINC000769022272 1129885960 /nfs/dbraw/zinc/88/59/60/1129885960.db2.gz KBBGIHOLOBMCQG-GOSISDBHSA-N 0 1 285.387 3.642 20 0 CHADMN CN(CCc1ccccc1F)Cc1cnc(C2CC2)s1 ZINC000769022095 1129886568 /nfs/dbraw/zinc/88/65/68/1129886568.db2.gz QTQZBRYSRWVNRR-UHFFFAOYSA-N 0 1 290.407 3.834 20 0 CHADMN CCN(Cc1occc1Br)[C@@H](C)C(C)C ZINC000769154642 1129893531 /nfs/dbraw/zinc/89/35/31/1129893531.db2.gz SPFUUVNPARSHLB-JTQLQIEISA-N 0 1 274.202 3.909 20 0 CHADMN Fc1cccc2c1CCN(Cc1cncc3ccccc31)C2 ZINC000769387573 1129905470 /nfs/dbraw/zinc/90/54/70/1129905470.db2.gz LYLCDBNYQPSPLC-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN C[C@@H](CCC1CC1)Nc1ccc(CN(C)C)c(F)c1 ZINC000769414811 1129907735 /nfs/dbraw/zinc/90/77/35/1129907735.db2.gz MUBZODVXSMYETK-LBPRGKRZSA-N 0 1 264.388 3.878 20 0 CHADMN CN(Cc1coc(C2CC2)n1)C1CCC(C)(C)CC1 ZINC000769448579 1129911216 /nfs/dbraw/zinc/91/12/16/1129911216.db2.gz UTUYFNZSRDVGCI-UHFFFAOYSA-N 0 1 262.397 3.953 20 0 CHADMN C/C(=C(/F)C(=O)Nc1cccc(-c2cn[nH]c2)c1)C1CC1 ZINC000901252310 1129912689 /nfs/dbraw/zinc/91/26/89/1129912689.db2.gz ZUIYJTVECVNJSX-GDNBJRDFSA-N 0 1 285.322 3.669 20 0 CHADMN CC(=O)[C@H]1CCC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001137714714 1131406846 /nfs/dbraw/zinc/40/68/46/1131406846.db2.gz WDFNAEYCFZURBW-LBPRGKRZSA-N 0 1 290.794 3.622 20 0 CHADMN CC(=O)[C@H]1CCCN(Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001137714714 1131406849 /nfs/dbraw/zinc/40/68/49/1131406849.db2.gz WDFNAEYCFZURBW-LBPRGKRZSA-N 0 1 290.794 3.622 20 0 CHADMN CCc1oc(C[N@@H+](C)C2CCC(C)(C)CC2)cc1C(=O)[O-] ZINC000901433533 1129925036 /nfs/dbraw/zinc/92/50/36/1129925036.db2.gz KYGAPKFHPVEVMY-UHFFFAOYSA-N 0 1 293.407 3.941 20 0 CHADMN CCC[C@H](C[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000901542972 1129935303 /nfs/dbraw/zinc/93/53/03/1129935303.db2.gz UFCQJXSHOBVTFG-QGPMSJSTSA-N 0 1 289.419 3.613 20 0 CHADMN Cc1csc(CNCc2cccc3c2OC(F)(F)O3)c1 ZINC001461520762 1129935946 /nfs/dbraw/zinc/93/59/46/1129935946.db2.gz KPRDXOAXFGNNFB-UHFFFAOYSA-N 0 1 297.326 3.668 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1cccc(-c2ccc(C)cc2)c1 ZINC000901605579 1129938882 /nfs/dbraw/zinc/93/88/82/1129938882.db2.gz VRPVLPWVWPXGTC-UHFFFAOYSA-N 0 1 297.398 3.959 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C=Cc3ccccc3)ccc12 ZINC000770257641 1129942665 /nfs/dbraw/zinc/94/26/65/1129942665.db2.gz ICVNIOMHXSRWIK-JXMROGBWSA-N 0 1 277.327 3.523 20 0 CHADMN CC1=C[C@H](C)C[C@H](C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)C1 ZINC000901746652 1129949477 /nfs/dbraw/zinc/94/94/77/1129949477.db2.gz VEDALBYLSAJCSO-ZFWWWQNUSA-N 0 1 299.414 3.735 20 0 CHADMN Cc1cc(N(C)C)ccc1NCc1ccc2nc[nH]c2c1 ZINC000770482054 1129949542 /nfs/dbraw/zinc/94/95/42/1129949542.db2.gz IOTQLXOVJARPPW-UHFFFAOYSA-N 0 1 280.375 3.549 20 0 CHADMN CC(C)C[N@@H+](Cc1cc(F)cc(F)c1)CC(C)(C)C(=O)[O-] ZINC000901840748 1129958896 /nfs/dbraw/zinc/95/88/96/1129958896.db2.gz NVTWAEBHFPSGFR-UHFFFAOYSA-N 0 1 299.361 3.534 20 0 CHADMN CCc1ccc(C[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-])cc1 ZINC000901841474 1129959432 /nfs/dbraw/zinc/95/94/32/1129959432.db2.gz XGATYEFXGMCJLO-UHFFFAOYSA-N 0 1 291.435 3.818 20 0 CHADMN C[C@H]1CN(CCSC(C)(C)C)[C@@H](c2ccccc2)CO1 ZINC000801925880 1129959782 /nfs/dbraw/zinc/95/97/82/1129959782.db2.gz SOSKAOCSGZHLLP-GOEBONIOSA-N 0 1 293.476 3.980 20 0 CHADMN CC(C)(C)Oc1ccnc(NCCC(=O)c2ccccc2)c1 ZINC001170018673 1129960347 /nfs/dbraw/zinc/96/03/47/1129960347.db2.gz RFTDRGGBHXKIEL-UHFFFAOYSA-N 0 1 298.386 3.944 20 0 CHADMN Cc1cccc(NCC[C@]2(C)CC2(Cl)Cl)n1 ZINC000829058412 1131410519 /nfs/dbraw/zinc/41/05/19/1131410519.db2.gz IDNBBSBBTWGJCV-LLVKDONJSA-N 0 1 259.180 3.776 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC000901890381 1129964827 /nfs/dbraw/zinc/96/48/27/1129964827.db2.gz HYISTFALYVSWSK-HUUCEWRRSA-N 0 1 299.480 3.509 20 0 CHADMN C/C(=C/c1ccccc1)C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000901916727 1129965185 /nfs/dbraw/zinc/96/51/85/1129965185.db2.gz DNNQEGIPKUSEFC-KWSIVJBESA-N 0 1 299.414 3.667 20 0 CHADMN O=C([O-])[C@@]1(F)C[N@@H+](CCCC2CCCCC2)CC12CCC2 ZINC000901913065 1129965647 /nfs/dbraw/zinc/96/56/47/1129965647.db2.gz AETQVCSXXTYJMR-KRWDZBQOSA-N 0 1 297.414 3.626 20 0 CHADMN C[C@@H](Cc1ccccc1)C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000901997024 1129970423 /nfs/dbraw/zinc/97/04/23/1129970423.db2.gz KWRKZYZMXIKLBE-RDJZCZTQSA-N 0 1 289.419 3.585 20 0 CHADMN CC[C@@H](C[N@H+]1CCCC[C@H]1CCC(=O)[O-])c1ccccc1 ZINC000901997038 1129970585 /nfs/dbraw/zinc/97/05/85/1129970585.db2.gz KXXHTJAMPAIMNN-RDJZCZTQSA-N 0 1 289.419 3.900 20 0 CHADMN CCCc1cccc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000901995654 1129970643 /nfs/dbraw/zinc/97/06/43/1129970643.db2.gz BFQVPQQZWUWUMN-KRWDZBQOSA-N 0 1 289.419 3.858 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](C)CCc1ccccc1 ZINC000902019590 1129971979 /nfs/dbraw/zinc/97/19/79/1129971979.db2.gz ICEHGYKLCUFBBA-WBVHZDCISA-N 0 1 291.435 3.686 20 0 CHADMN CCCc1ccc(C[N@@H+](CC(=O)[O-])C2CCCC2)s1 ZINC000902038395 1129973212 /nfs/dbraw/zinc/97/32/12/1129973212.db2.gz FVIUIBIELKEILP-UHFFFAOYSA-N 0 1 281.421 3.530 20 0 CHADMN C[C@@H](CCc1ccccc1)C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000902034747 1129973478 /nfs/dbraw/zinc/97/34/78/1129973478.db2.gz LAWWOQIIBLAFHT-DOTOQJQBSA-N 0 1 289.419 3.585 20 0 CHADMN Cc1ccc([C@H](C)NCc2c(C)cccc2F)c(C)n1 ZINC000771390358 1129979448 /nfs/dbraw/zinc/97/94/48/1129979448.db2.gz PDLXIAMBEBRKLF-ZDUSSCGKSA-N 0 1 272.367 3.997 20 0 CHADMN CCC/C(C)=C\C(=O)Nc1cc(F)cc(Cl)c1O ZINC000771514381 1129982644 /nfs/dbraw/zinc/98/26/44/1129982644.db2.gz SZSHXVCCXUHEGD-YVMONPNESA-N 0 1 271.719 3.870 20 0 CHADMN CC/C(C)=C(/C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000771505535 1129983111 /nfs/dbraw/zinc/98/31/11/1129983111.db2.gz PSCDJICIQAFZNR-FPLPWBNLSA-N 0 1 271.719 3.870 20 0 CHADMN O=C(/C=C/c1ccsc1)Nc1cc(F)cc(Cl)c1O ZINC000771504075 1129983210 /nfs/dbraw/zinc/98/32/10/1129983210.db2.gz JGJSBVXDXVOQMH-OWOJBTEDSA-N 0 1 297.738 3.898 20 0 CHADMN O=C(C=C(C1CC1)C1CC1)Nc1cc(F)cc(Cl)c1O ZINC000771510528 1129983246 /nfs/dbraw/zinc/98/32/46/1129983246.db2.gz KUXVNIMDDBDSBB-UHFFFAOYSA-N 0 1 295.741 3.870 20 0 CHADMN Cc1ccc([C@@H](C)C(=O)Nc2cc(F)cc(Cl)c2O)o1 ZINC000771512903 1129983270 /nfs/dbraw/zinc/98/32/70/1129983270.db2.gz RIADFDQGYTYSAQ-MRVPVSSYSA-N 0 1 297.713 3.828 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C[C@H](C)C3CC3)c2C)o1 ZINC000771660242 1129986807 /nfs/dbraw/zinc/98/68/07/1129986807.db2.gz UVXVTBSJGAWVHU-VIFPVBQESA-N 0 1 287.363 3.661 20 0 CHADMN CNc1ccccc1CN[C@@H]1CSc2ccccc21 ZINC000902257545 1129994239 /nfs/dbraw/zinc/99/42/39/1129994239.db2.gz ZBUTUVJADYXDPQ-OAHLLOKOSA-N 0 1 270.401 3.665 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@@H](c3cccc(C)c3)C2)oc1C(=O)[O-] ZINC000902369538 1130004299 /nfs/dbraw/zinc/00/42/99/1130004299.db2.gz BYVAXXHDILRYEH-OAHLLOKOSA-N 0 1 299.370 3.584 20 0 CHADMN CO[C@H](CSCc1[nH]ncc1C)c1ccc(Cl)cc1 ZINC000902388616 1130005262 /nfs/dbraw/zinc/00/52/62/1130005262.db2.gz VWPHETWZDYHBEU-CQSZACIVSA-N 0 1 296.823 3.992 20 0 CHADMN Cc1cn[nH]c1CSCc1ccc(C(C)C)nc1C ZINC000902394988 1130006089 /nfs/dbraw/zinc/00/60/89/1130006089.db2.gz AFPCDZIFDOSMAK-UHFFFAOYSA-N 0 1 275.421 3.978 20 0 CHADMN CC[C@H](NCc1cc(C)ccc1NC)c1c(C)noc1C ZINC000902415349 1130008587 /nfs/dbraw/zinc/00/85/87/1130008587.db2.gz FBTBYFFIRXIXSF-HNNXBMFYSA-N 0 1 287.407 3.882 20 0 CHADMN CCn1cnc(CN[C@H](c2ccc(F)c(C)c2)C2CC2)c1 ZINC000902425327 1130009783 /nfs/dbraw/zinc/00/97/83/1130009783.db2.gz MCHZLGYYNRTBBK-KRWDZBQOSA-N 0 1 287.382 3.591 20 0 CHADMN Nc1nc(CN[C@H](CC2CCC2)c2ccccc2)cs1 ZINC000902489215 1130016507 /nfs/dbraw/zinc/01/65/07/1130016507.db2.gz JRNJKPYBOACFIR-OAHLLOKOSA-N 0 1 287.432 3.746 20 0 CHADMN CCn1cnc(CN[C@H]2c3ccccc3CC[C@@H]2C(C)C)c1 ZINC000902490708 1130016951 /nfs/dbraw/zinc/01/69/51/1130016951.db2.gz URWGSOHGTPRUBJ-IEBWSBKVSA-N 0 1 297.446 3.952 20 0 CHADMN CCn1cnc(CN[C@@H]2c3ccccc3CCC[C@@H]2C)c1 ZINC000902490739 1130017289 /nfs/dbraw/zinc/01/72/89/1130017289.db2.gz VDKSTLNMMFWUBE-KSSFIOAISA-N 0 1 283.419 3.706 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902521929 1130020163 /nfs/dbraw/zinc/02/01/63/1130020163.db2.gz VNGXCKJQMXCPQY-MDOURQGTSA-N 0 1 291.391 3.778 20 0 CHADMN CC(=O)c1ccc(-c2nc(C(C)(C)C)nc3nc[nH]c32)cc1 ZINC001239628278 1130021190 /nfs/dbraw/zinc/02/11/90/1130021190.db2.gz NUQKLPMWYQXODC-UHFFFAOYSA-N 0 1 294.358 3.520 20 0 CHADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC000902531128 1130021677 /nfs/dbraw/zinc/02/16/77/1130021677.db2.gz XFILXVSPHAMEFF-CHWSQXEVSA-N 0 1 299.370 3.875 20 0 CHADMN CCc1oc(C[N@H+]2CCC[C@H]2CC(C)C)cc1C(=O)[O-] ZINC000902546822 1130022465 /nfs/dbraw/zinc/02/24/65/1130022465.db2.gz HSDAOIQRYWGNGF-LBPRGKRZSA-N 0 1 279.380 3.551 20 0 CHADMN COc1cc(-c2cc3[nH]cnc3cc2C)cc(OC)c1OC ZINC001239642011 1130029536 /nfs/dbraw/zinc/02/95/36/1130029536.db2.gz ZMCDGNPZNBFLLV-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN CCC(CC)[C@@H](N[C@@H](C)c1cn(C)nn1)c1ccccc1 ZINC000902758579 1130053634 /nfs/dbraw/zinc/05/36/34/1130053634.db2.gz HYTQTBQDXNCBKO-SUMWQHHRSA-N 0 1 286.423 3.643 20 0 CHADMN Cc1nc(-c2cccc(-c3ccccc3)c2)nc2nc[nH]c21 ZINC001239651393 1130031958 /nfs/dbraw/zinc/03/19/58/1130031958.db2.gz XKRZUVOQLDCJEB-UHFFFAOYSA-N 0 1 286.338 3.947 20 0 CHADMN COc1cc(OC)c(-c2ccc3nc[nH]c3c2C)c(OC)c1 ZINC001239649234 1130032103 /nfs/dbraw/zinc/03/21/03/1130032103.db2.gz QBXCJWNTWJCILB-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN CNc1ccccc1CNCc1cccc(Cl)c1OC ZINC000902674315 1130037253 /nfs/dbraw/zinc/03/72/53/1130037253.db2.gz RCWVAAGCUBLEDM-UHFFFAOYSA-N 0 1 290.794 3.680 20 0 CHADMN COc1ccc(OC)c(-c2cc3nc[nH]c3cc2C)c1 ZINC001239664598 1130040892 /nfs/dbraw/zinc/04/08/92/1130040892.db2.gz BITQPAKYADTGIC-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN COc1ccc(OC)c(-c2cc3nc[nH]c3c(C)c2)c1 ZINC001239665337 1130041082 /nfs/dbraw/zinc/04/10/82/1130041082.db2.gz YIUCYDYENHJXOU-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN COc1ccc2c(c1)nccc2-c1cccc2nc[nH]c21 ZINC001239678554 1130049643 /nfs/dbraw/zinc/04/96/43/1130049643.db2.gz UXBUEOJPNSHRFZ-UHFFFAOYSA-N 0 1 275.311 3.787 20 0 CHADMN CN(C)Cc1cc(-c2ccc(F)cc2F)ccc1F ZINC001239680579 1130050662 /nfs/dbraw/zinc/05/06/62/1130050662.db2.gz XCXVQNBVYBGNPU-UHFFFAOYSA-N 0 1 265.278 3.833 20 0 CHADMN C/C(=C\C(=O)Nc1nc2ccc(F)cc2[nH]1)C(C)(C)C ZINC000785877101 1130058617 /nfs/dbraw/zinc/05/86/17/1130058617.db2.gz OTWOUGFKEQMZEF-VQHVLOKHSA-N 0 1 275.327 3.633 20 0 CHADMN CCCn1cc([C@H](C)N[C@@H](c2ccccc2)C2CCC2)nn1 ZINC000902791072 1130059290 /nfs/dbraw/zinc/05/92/90/1130059290.db2.gz SWABJMDPLYHPEG-KSSFIOAISA-N 0 1 298.434 3.880 20 0 CHADMN C[C@H](NCc1ccc(F)nc1)c1cc2ccccc2o1 ZINC000786160647 1130081450 /nfs/dbraw/zinc/08/14/50/1130081450.db2.gz NUSICMBDMNKIGG-NSHDSACASA-N 0 1 270.307 3.818 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc(F)cc1C ZINC001239740648 1130082650 /nfs/dbraw/zinc/08/26/50/1130082650.db2.gz ITCVBNFJHKEJCN-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CCc1ccccc1-c1ccc(N2CCN(C)CC2)cc1 ZINC001239743270 1130084383 /nfs/dbraw/zinc/08/43/83/1130084383.db2.gz FQEQDRZVYUANPF-UHFFFAOYSA-N 0 1 280.415 3.668 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)OCc1ccccc1C ZINC000786344380 1130087823 /nfs/dbraw/zinc/08/78/23/1130087823.db2.gz OHUKJOAHFBEVFQ-UHFFFAOYSA-N 0 1 272.348 3.507 20 0 CHADMN C[C@@H](OC(=O)Cc1[nH]nc2ccccc21)c1ccccc1F ZINC000746583106 1130092726 /nfs/dbraw/zinc/09/27/26/1130092726.db2.gz NZQQIHOIMWDVAE-LLVKDONJSA-N 0 1 298.317 3.549 20 0 CHADMN CC[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)C1 ZINC000394518053 1130103874 /nfs/dbraw/zinc/10/38/74/1130103874.db2.gz FJTUUKWFJZBREQ-BZUAXINKSA-N 0 1 281.440 3.780 20 0 CHADMN Fc1ccccc1[C@H](NCc1ccco1)C1CCOCC1 ZINC000903055252 1130105919 /nfs/dbraw/zinc/10/59/19/1130105919.db2.gz AKMFJDXCLJJRMG-QGZVFWFLSA-N 0 1 289.350 3.676 20 0 CHADMN CC[C@H](N[C@@H](c1nncn1C)C(C)C)c1ccc(C)cc1 ZINC000903061206 1130107133 /nfs/dbraw/zinc/10/71/33/1130107133.db2.gz LCLDFLFQPRCBGQ-JKSUJKDBSA-N 0 1 286.423 3.562 20 0 CHADMN CCOCc1ccc(CN[C@H](c2ccccn2)C2CC2)cc1 ZINC000903066727 1130107741 /nfs/dbraw/zinc/10/77/41/1130107741.db2.gz OJCNJHIUTFDCRE-IBGZPJMESA-N 0 1 296.414 3.859 20 0 CHADMN CC(C)[C@@H](O)CNC1(c2ccc(Cl)cc2Cl)CC1 ZINC001253781515 1130109212 /nfs/dbraw/zinc/10/92/12/1130109212.db2.gz GPXLQEJMYUFORC-ZDUSSCGKSA-N 0 1 288.218 3.589 20 0 CHADMN Fc1ccc(N[C@@H]2CCCc3cn[nH]c32)cc1C(F)F ZINC000903083048 1130109821 /nfs/dbraw/zinc/10/98/21/1130109821.db2.gz YRSMXXBRSJECPF-GFCCVEGCSA-N 0 1 281.281 3.976 20 0 CHADMN CCN(C)c1ccccc1CN[C@H](c1ccccn1)C1CC1 ZINC000903094417 1130110888 /nfs/dbraw/zinc/11/08/88/1130110888.db2.gz YXXBFWYFFNSPDM-IBGZPJMESA-N 0 1 295.430 3.779 20 0 CHADMN CC[C@H](N[C@@H](C)c1cn(C)nn1)c1cccc2ccccc21 ZINC000903095115 1130111457 /nfs/dbraw/zinc/11/14/57/1130111457.db2.gz UDHMHJQWKCLACF-GUYCJALGSA-N 0 1 294.402 3.770 20 0 CHADMN CO[C@@H]1CCC[C@H]1N[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000903165213 1130122028 /nfs/dbraw/zinc/12/20/28/1130122028.db2.gz PTWHSFAUQXOLEA-QRQLOZEOSA-N 0 1 296.414 3.637 20 0 CHADMN CCC[C@@H](NCc1nccc2c1CCCC2)c1cccnc1 ZINC000903181054 1130124461 /nfs/dbraw/zinc/12/44/61/1130124461.db2.gz CVEVFSYTICGYST-GOSISDBHSA-N 0 1 295.430 3.986 20 0 CHADMN CC(=O)OCc1cccc([C@@H](C)NCc2occc2C)c1 ZINC000903175766 1130124874 /nfs/dbraw/zinc/12/48/74/1130124874.db2.gz VJOKTSAZVJDMFA-CYBMUJFWSA-N 0 1 287.359 3.502 20 0 CHADMN Cc1ccc([C@H](C)NCc2nccc3c2CCCC3)c(C)n1 ZINC000903183703 1130126107 /nfs/dbraw/zinc/12/61/07/1130126107.db2.gz FHAFLLUITZBFSC-AWEZNQCLSA-N 0 1 295.430 3.823 20 0 CHADMN CC(C)[C@H](NCc1cc(N(C)C)cc[nH+]1)c1ccccc1 ZINC000903202141 1130129221 /nfs/dbraw/zinc/12/92/21/1130129221.db2.gz XTRLYKMVYCCIAU-SFHVURJKSA-N 0 1 283.419 3.635 20 0 CHADMN Cc1nc(F)ccc1CN1Cc2ccccc2[C@@H](C)C1 ZINC000787057949 1130131050 /nfs/dbraw/zinc/13/10/50/1130131050.db2.gz CXSDDXSKQZKJCS-LBPRGKRZSA-N 0 1 270.351 3.648 20 0 CHADMN c1ccc([C@H](N[C@H]2CCCc3cccnc32)C2CC2)nc1 ZINC000903226340 1130131931 /nfs/dbraw/zinc/13/19/31/1130131931.db2.gz LAPFFBIDSZPYTD-FUHWJXTLSA-N 0 1 279.387 3.595 20 0 CHADMN Cc1ccc([C@H](C)NCc2cnn(CC3CCC3)c2)c(C)n1 ZINC000903239936 1130133569 /nfs/dbraw/zinc/13/35/69/1130133569.db2.gz NBGUBXYXTMOCEP-AWEZNQCLSA-N 0 1 298.434 3.546 20 0 CHADMN CCCCCCNC(=O)CN(CC)Cc1ccc(C)cc1 ZINC000746654135 1130134790 /nfs/dbraw/zinc/13/47/90/1130134790.db2.gz YEMNLHFNPZZFRB-UHFFFAOYSA-N 0 1 290.451 3.513 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(C(C)(C)O)cc1)c1cncs1 ZINC000903311069 1130150769 /nfs/dbraw/zinc/15/07/69/1130150769.db2.gz MNAPGJSFAGUEEG-RYUDHWBXSA-N 0 1 290.432 3.782 20 0 CHADMN CCc1nc2c(s1)[C@@H](N[C@@H](C)c1cncs1)CCC2 ZINC000903309044 1130151164 /nfs/dbraw/zinc/15/11/64/1130151164.db2.gz BUVGUOMIYRDINW-UWVGGRQHSA-N 0 1 293.461 3.890 20 0 CHADMN C[C@@H](N[C@H](C)c1cncs1)c1cnn(-c2ccccc2)c1 ZINC000903311525 1130151469 /nfs/dbraw/zinc/15/14/69/1130151469.db2.gz PMLPHXUJKIWCDX-CHWSQXEVSA-N 0 1 298.415 3.741 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncs1)c1ccccc1N(C)C ZINC000903311513 1130151987 /nfs/dbraw/zinc/15/19/87/1130151987.db2.gz PHZBAQUWASGBHJ-NEPJUHHUSA-N 0 1 275.421 3.621 20 0 CHADMN Cc1ccc(C2CC(N[C@H](c3ncccn3)C3CC3)C2)cc1 ZINC000903326689 1130155465 /nfs/dbraw/zinc/15/54/65/1130155465.db2.gz MRAYHCXVLBLVJH-ABHNRTSZSA-N 0 1 293.414 3.772 20 0 CHADMN CSc1cncc(-c2cccc3nc(C)[nH]c32)c1 ZINC001242951322 1130157936 /nfs/dbraw/zinc/15/79/36/1130157936.db2.gz NJLMKPALVMRREA-UHFFFAOYSA-N 0 1 255.346 3.655 20 0 CHADMN Cc1cccnc1[C@H](N[C@@H](C)c1ccnn1C)C(C)(C)C ZINC000903331610 1130158180 /nfs/dbraw/zinc/15/81/80/1130158180.db2.gz ZKUTUJNFTXYLBS-BBRMVZONSA-N 0 1 286.423 3.562 20 0 CHADMN Cc1cccnc1[C@H](N[C@H](C)c1cncnc1C)C(C)(C)C ZINC000903330564 1130158223 /nfs/dbraw/zinc/15/82/23/1130158223.db2.gz WPXQDKBYIPXIBZ-PBHICJAKSA-N 0 1 298.434 3.926 20 0 CHADMN Oc1ccc2c(c1)[C@@H](N[C@@H](c1ccccn1)C1CC1)CCC2 ZINC000903335891 1130161134 /nfs/dbraw/zinc/16/11/34/1130161134.db2.gz UKIIDHVTCKRIAF-PKOBYXMFSA-N 0 1 294.398 3.906 20 0 CHADMN Cn1cnc(CN[C@@H]2CCCc3c4ccccc4sc32)c1 ZINC000903351250 1130165219 /nfs/dbraw/zinc/16/52/19/1130165219.db2.gz IUMXHCUNUZDTDD-OAHLLOKOSA-N 0 1 297.427 3.802 20 0 CHADMN C[C@@H](NC[C@@H]1CCCC(C)(C)O1)c1cccnc1Cl ZINC000903352982 1130165968 /nfs/dbraw/zinc/16/59/68/1130165968.db2.gz XZOMMGSNRBELNB-NEPJUHHUSA-N 0 1 282.815 3.733 20 0 CHADMN CC[C@@H](N[C@@H](C)c1c[nH]nc1C)c1cc(F)ccc1OC ZINC000903371624 1130168386 /nfs/dbraw/zinc/16/83/86/1130168386.db2.gz TWQRGLWBLAVGHD-ZUZCIYMTSA-N 0 1 291.370 3.668 20 0 CHADMN CCOC(=O)c1cc2[nH]c(-c3cc(C)ccc3F)ccc-2n1 ZINC001239962679 1130173440 /nfs/dbraw/zinc/17/34/40/1130173440.db2.gz GMRNCXGPKHCXQF-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000903421942 1130174081 /nfs/dbraw/zinc/17/40/81/1130174081.db2.gz XZJNIKLOMOBQAS-GDBMZVCRSA-N 0 1 275.392 3.509 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](c2ccncc2)C2CC2)o1 ZINC000903426947 1130174710 /nfs/dbraw/zinc/17/47/10/1130174710.db2.gz CXGSPAOALUSBDT-BLLLJJGKSA-N 0 1 256.349 3.785 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](c2ccncc2)C2CC2)o1 ZINC000903426951 1130175215 /nfs/dbraw/zinc/17/52/15/1130175215.db2.gz CXGSPAOALUSBDT-WBMJQRKESA-N 0 1 256.349 3.785 20 0 CHADMN Clc1ccc2c(n1)[C@@H](N[C@@H](c1ccncc1)C1CC1)CC2 ZINC000903427780 1130176082 /nfs/dbraw/zinc/17/60/82/1130176082.db2.gz KAUZPAODQJJGMH-GOEBONIOSA-N 0 1 299.805 3.858 20 0 CHADMN Fc1cccc2c1SCC[C@@H]2NC/C=C/Cl ZINC000903442350 1130177935 /nfs/dbraw/zinc/17/79/35/1130177935.db2.gz NLYXEFHNRXGJAO-GSQGTZRGSA-N 0 1 257.761 3.705 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](CC)Cc1ccc(Cl)s1 ZINC000903595764 1130183553 /nfs/dbraw/zinc/18/35/53/1130183553.db2.gz NWZZKXHCSCKOTI-CABZTGNLSA-N 0 1 289.828 3.723 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)Cc1csc2ccccc12 ZINC000903596269 1130183597 /nfs/dbraw/zinc/18/35/97/1130183597.db2.gz STKRVONHBLCWNN-XHDPSFHLSA-N 0 1 291.416 3.832 20 0 CHADMN CC(C)Cc1ccccc1C[N@@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000903599889 1130183846 /nfs/dbraw/zinc/18/38/46/1130183846.db2.gz AZKKNLUAIMJRLI-AWEZNQCLSA-N 0 1 289.419 3.570 20 0 CHADMN COc1ccc(C(=O)[O-])cc1C[N@@H+](C(C)C)C1CCCC1 ZINC000903596059 1130183914 /nfs/dbraw/zinc/18/39/14/1130183914.db2.gz QNVVYYGIDTWDGD-UHFFFAOYSA-N 0 1 291.391 3.546 20 0 CHADMN CC(C)C[N@@H+](CC(C)(C)C(=O)[O-])CC12CCC(CC1)C2 ZINC000903622703 1130184609 /nfs/dbraw/zinc/18/46/09/1130184609.db2.gz NELRJNNCUUZBQX-UHFFFAOYSA-N 0 1 281.440 3.636 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000903627018 1130184669 /nfs/dbraw/zinc/18/46/69/1130184669.db2.gz AIKJCMCBFIMSFF-IUHNQTRMSA-N 0 1 295.382 3.553 20 0 CHADMN O=C([O-])c1ccc2c(c1)CC[N@@H+]([C@H]1C=CCCCCC1)C2 ZINC000903619399 1130184698 /nfs/dbraw/zinc/18/46/98/1130184698.db2.gz ZZAYHERTTDLLPT-KRWDZBQOSA-N 0 1 285.387 3.632 20 0 CHADMN CCC(C)(C)CC[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000903622929 1130184788 /nfs/dbraw/zinc/18/47/88/1130184788.db2.gz SAMXUTFKIKJXQJ-UHFFFAOYSA-N 0 1 271.445 3.882 20 0 CHADMN CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000903672327 1130188486 /nfs/dbraw/zinc/18/84/86/1130188486.db2.gz ARMQYDUSABOXJA-WCQYABFASA-N 0 1 281.421 3.847 20 0 CHADMN Cc1nc2cccc(-c3cnn(Cc4ccccc4)c3)c2[nH]1 ZINC001240003086 1130188824 /nfs/dbraw/zinc/18/88/24/1130188824.db2.gz PRLGGQQSHFFRLY-UHFFFAOYSA-N 0 1 288.354 3.783 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)CCC1 ZINC000903708079 1130192062 /nfs/dbraw/zinc/19/20/62/1130192062.db2.gz XFRUEVUBPMHKIY-OAGJVSPASA-N 0 1 299.414 3.809 20 0 CHADMN C[C@@H](C[N@@H+](C)CCC1(C(=O)[O-])CCC1)C1CCCCC1 ZINC000903706105 1130192199 /nfs/dbraw/zinc/19/21/99/1130192199.db2.gz DFEZBRJIWDJCOM-AWEZNQCLSA-N 0 1 281.440 3.780 20 0 CHADMN CC(C)Oc1ccc(F)cc1N[C@H]1CCCc2[nH]ncc21 ZINC000796915452 1130192824 /nfs/dbraw/zinc/19/28/24/1130192824.db2.gz BHXYFEJSNALMSG-ZDUSSCGKSA-N 0 1 289.354 3.826 20 0 CHADMN Fc1cc2[nH]ccc2c(-c2cc(N3CCCC3)ccn2)c1 ZINC001240028858 1130198567 /nfs/dbraw/zinc/19/85/67/1130198567.db2.gz NAKSFSKIYHGVGF-UHFFFAOYSA-N 0 1 281.334 3.969 20 0 CHADMN C[C@@H](N[C@H](C)c1c(F)cccc1Cl)c1cc[nH]c(=O)c1 ZINC000788669410 1130202140 /nfs/dbraw/zinc/20/21/40/1130202140.db2.gz ZSZDETDPDFOGJX-NXEZZACHSA-N 0 1 294.757 3.992 20 0 CHADMN CCN(CC)C(=O)c1cccc(-c2cccc3nc[nH]c32)c1 ZINC001240050867 1130203861 /nfs/dbraw/zinc/20/38/61/1130203861.db2.gz BGEUPBDKRLKZSE-UHFFFAOYSA-N 0 1 293.370 3.712 20 0 CHADMN CCC[C@H]1CCC[N@H+]([C@H](CCc2ccccc2)C(=O)[O-])C1 ZINC000903894358 1130208698 /nfs/dbraw/zinc/20/86/98/1130208698.db2.gz UUVPEYCMIZYURC-DLBZAZTESA-N 0 1 289.419 3.585 20 0 CHADMN Cc1cscc1CN[C@@H]1CCc2ccc(Cl)nc21 ZINC000788794787 1130208969 /nfs/dbraw/zinc/20/89/69/1130208969.db2.gz IQLBMAJROVFVDQ-GFCCVEGCSA-N 0 1 278.808 3.882 20 0 CHADMN C[C@H](N[C@H]1COCc2ccccc21)c1ccnc(Cl)c1 ZINC000788805013 1130209621 /nfs/dbraw/zinc/20/96/21/1130209621.db2.gz ZVDQEQOLIWNERL-NHYWBVRUSA-N 0 1 288.778 3.657 20 0 CHADMN CCCCNC(=O)c1cccc(-c2ccc3cncn3c2)c1 ZINC001240087968 1130210853 /nfs/dbraw/zinc/21/08/53/1130210853.db2.gz YXDAEPFJTBYHFE-UHFFFAOYSA-N 0 1 293.370 3.531 20 0 CHADMN Cc1ccc(C)c(C[N@@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]2C)c1 ZINC000903951692 1130212463 /nfs/dbraw/zinc/21/24/63/1130212463.db2.gz UXKLLRMKDBFHQU-QSJFSLAZSA-N 0 1 289.419 3.623 20 0 CHADMN Cc1ccc(C[N@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)cc1C(=O)[O-] ZINC000903960961 1130212652 /nfs/dbraw/zinc/21/26/52/1130212652.db2.gz JJMOVUHYAXWRGB-CVEARBPZSA-N 0 1 287.403 3.704 20 0 CHADMN CC(C)CCC[C@H](C)N1CCN(c2ncccc2F)CC1 ZINC001170090755 1130213221 /nfs/dbraw/zinc/21/32/21/1130213221.db2.gz OHDRWGUSEWGLIB-HNNXBMFYSA-N 0 1 293.430 3.558 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2Cl)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903952140 1130213550 /nfs/dbraw/zinc/21/35/50/1130213550.db2.gz WLEDLVFADMTXHZ-OXJKWZBOSA-N 0 1 295.810 3.660 20 0 CHADMN Cc1n[nH]c(C)c1-c1cccc2nc(C(F)(F)F)[nH]c21 ZINC001240126765 1130217861 /nfs/dbraw/zinc/21/78/61/1130217861.db2.gz JCYXUPZMBTUJGH-UHFFFAOYSA-N 0 1 280.253 3.589 20 0 CHADMN c1coc(CN(Cc2ccc3cccnc3c2)C2CC2)c1 ZINC001139171512 1130221912 /nfs/dbraw/zinc/22/19/12/1130221912.db2.gz WYSWPNDYNNQMOU-UHFFFAOYSA-N 0 1 278.355 3.992 20 0 CHADMN C[C@@H]1CCC[C@@H](C)C1N[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC001170095937 1130225590 /nfs/dbraw/zinc/22/55/90/1130225590.db2.gz SGGLOSBAZIVTRD-JMSVASOKSA-N 0 1 281.440 3.521 20 0 CHADMN Fc1cncc(-c2cc(F)c(CN3CCCC3)c(F)c2)c1 ZINC001240238196 1130243991 /nfs/dbraw/zinc/24/39/91/1130243991.db2.gz ZOWFUMTYBXBLRK-UHFFFAOYSA-N 0 1 292.304 3.762 20 0 CHADMN CN(C(=O)c1cccc2n[nH]cc21)C1CCCCCCC1 ZINC000748749002 1130245024 /nfs/dbraw/zinc/24/50/24/1130245024.db2.gz FJAOCRXKCLXULD-UHFFFAOYSA-N 0 1 285.391 3.748 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1cccc(N2CCCCC2)c1 ZINC001240252249 1130248642 /nfs/dbraw/zinc/24/86/42/1130248642.db2.gz QRLMWZNQTRQLQM-UHFFFAOYSA-N 0 1 296.349 3.754 20 0 CHADMN COC(=O)/C(C)=C\CN1CCCCC[C@@H]1c1ccc(C)o1 ZINC000748821644 1130248977 /nfs/dbraw/zinc/24/89/77/1130248977.db2.gz SRIRMCFPRUBZRO-VSKPTYQZSA-N 0 1 291.391 3.624 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1ccc(C(F)(F)F)nc1 ZINC001240272484 1130254638 /nfs/dbraw/zinc/25/46/38/1130254638.db2.gz QKGMXMRJWZIZTO-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN Cc1nc2cc(NC[C@H]3CC=CCC3)ccc2n1C ZINC000676904727 1130276201 /nfs/dbraw/zinc/27/62/01/1130276201.db2.gz RNWFDQIKZQUBNG-ZDUSSCGKSA-N 0 1 255.365 3.650 20 0 CHADMN Fc1cnc(C2=CCCN(Cc3ccccc3)C2)c(F)c1 ZINC001240387949 1130285987 /nfs/dbraw/zinc/28/59/87/1130285987.db2.gz WKXKBFGEHLXNSR-UHFFFAOYSA-N 0 1 286.325 3.649 20 0 CHADMN C[C@H]1CC[C@H](N(Cc2ccccn2)Cc2ccccn2)C1 ZINC001170126001 1130286805 /nfs/dbraw/zinc/28/68/05/1130286805.db2.gz QRLUBXQDTFREEJ-YJBOKZPZSA-N 0 1 281.403 3.667 20 0 CHADMN C[C@@H]1CC[C@H](N(Cc2ccccn2)Cc2ccccn2)C1 ZINC001170126000 1130286835 /nfs/dbraw/zinc/28/68/35/1130286835.db2.gz QRLUBXQDTFREEJ-QAPCUYQASA-N 0 1 281.403 3.667 20 0 CHADMN CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000826848156 1130289564 /nfs/dbraw/zinc/28/95/64/1130289564.db2.gz NFUMNJBZXHOJCW-DOMZBBRYSA-N 0 1 292.398 3.652 20 0 CHADMN CCn1nccc1CN[C@H](C)c1cc2cccc(OC)c2o1 ZINC000677127520 1130291572 /nfs/dbraw/zinc/29/15/72/1130291572.db2.gz KVPAGNBLJZYKBQ-GFCCVEGCSA-N 0 1 299.374 3.509 20 0 CHADMN Cc1csc(CN(C)CCc2ccccn2)c1Cl ZINC001137285707 1130294511 /nfs/dbraw/zinc/29/45/11/1130294511.db2.gz CLVOZKRQYLIOGH-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN CN(C)Cc1cc(-c2cccc(C(C)(C)O)c2)ccc1F ZINC001240410612 1130296263 /nfs/dbraw/zinc/29/62/63/1130296263.db2.gz YGCQEAIBOHTSRB-UHFFFAOYSA-N 0 1 287.378 3.782 20 0 CHADMN Cc1cc2[nH]cnc2cc1-c1cnn(CCC(C)C)c1 ZINC001240419347 1130301635 /nfs/dbraw/zinc/30/16/35/1130301635.db2.gz ZYRSHWRTCOVQLF-UHFFFAOYSA-N 0 1 268.364 3.781 20 0 CHADMN Cc1ccnc(CN2Cc3ccccc3OC(C)(C)C2)c1 ZINC000677500083 1130312752 /nfs/dbraw/zinc/31/27/52/1130312752.db2.gz FQMUNNRCEIOJGP-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN Cc1nc2cccc(-c3ccc4c(c3)c(C)nn4C)c2[nH]1 ZINC001240459370 1130319430 /nfs/dbraw/zinc/31/94/30/1130319430.db2.gz PPSFZFYXIFADGN-UHFFFAOYSA-N 0 1 276.343 3.733 20 0 CHADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC2(CC2)CC1 ZINC000677717054 1130323359 /nfs/dbraw/zinc/32/33/59/1130323359.db2.gz CWXLYSYDTGITKX-LBPRGKRZSA-N 0 1 292.810 3.543 20 0 CHADMN Cn1c2ccc(Cl)cc2nc1CN1CCC2(CC2)CC1 ZINC000677717771 1130323968 /nfs/dbraw/zinc/32/39/68/1130323968.db2.gz QSJAGRHFPLKNHU-UHFFFAOYSA-N 0 1 289.810 3.603 20 0 CHADMN Cc1cc2cc(-c3ccc4nc(C)[nH]c4c3)cnc2[nH]1 ZINC001240482448 1130324368 /nfs/dbraw/zinc/32/43/68/1130324368.db2.gz YDQSKJZAVSTUHH-UHFFFAOYSA-N 0 1 262.316 3.723 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CC[C@H](C(F)F)C1 ZINC000677731230 1130324805 /nfs/dbraw/zinc/32/48/05/1130324805.db2.gz FWKBOWDXCIBGIW-SCZZXKLOSA-N 0 1 261.262 3.613 20 0 CHADMN C[C@@H](c1ncc(-c2ccccc2)o1)N1CC[C@@H](C(F)F)C1 ZINC000677735619 1130326737 /nfs/dbraw/zinc/32/67/37/1130326737.db2.gz FHSNSDTUVCBEMU-WCQYABFASA-N 0 1 292.329 3.990 20 0 CHADMN COc1c(F)cc(-c2ccc3nc[nH]c3c2C)cc1F ZINC001243225042 1130326901 /nfs/dbraw/zinc/32/69/01/1130326901.db2.gz KZPSXIHLDUTGHM-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN CC(C)c1nc([C@@H](C)NC(=O)C[C@@H](C)CC(C)(C)C)n[nH]1 ZINC000677841499 1130333893 /nfs/dbraw/zinc/33/38/93/1130333893.db2.gz BVCQOTVIWSQZJM-VXGBXAGGSA-N 0 1 294.443 3.568 20 0 CHADMN COCC1(C2CCC2)CN(Cc2cnc(C(C)C)s2)C1 ZINC000827011726 1130338156 /nfs/dbraw/zinc/33/81/56/1130338156.db2.gz NBBCYJVYFMNKKT-UHFFFAOYSA-N 0 1 294.464 3.515 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C=C1CCC(C)CC1 ZINC000791057385 1130348343 /nfs/dbraw/zinc/34/83/43/1130348343.db2.gz RRZNQIJCQQDNLO-UHFFFAOYSA-N 0 1 283.375 3.946 20 0 CHADMN COc1ccccc1CN(C)Cc1nccc2ccccc21 ZINC000678121468 1130351930 /nfs/dbraw/zinc/35/19/30/1130351930.db2.gz MNFRTMPOBOXQRC-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN CC(C)N(Cc1ccco1)Cc1[nH]nc2ccccc21 ZINC000678133419 1130355597 /nfs/dbraw/zinc/35/55/97/1130355597.db2.gz JIERJOADTHRRLG-UHFFFAOYSA-N 0 1 269.348 3.567 20 0 CHADMN CC(C)CCN(C)Cc1nc2ccc(Cl)cc2n1C ZINC000678137554 1130358326 /nfs/dbraw/zinc/35/83/26/1130358326.db2.gz PPZMZZLWNLNPDI-UHFFFAOYSA-N 0 1 279.815 3.705 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000203517394 1130361844 /nfs/dbraw/zinc/36/18/44/1130361844.db2.gz BVCNZVGXNVBZBX-WMLDXEAASA-N 0 1 275.392 3.633 20 0 CHADMN CCCN(Cc1cnc(-c2ccccc2)[nH]1)CC(F)(F)F ZINC000678181890 1130367527 /nfs/dbraw/zinc/36/75/27/1130367527.db2.gz OITURTUERFYSEO-UHFFFAOYSA-N 0 1 297.324 3.851 20 0 CHADMN C[C@H]1c2ccccc2OCCN1Cc1cccs1 ZINC000678196823 1130368595 /nfs/dbraw/zinc/36/85/95/1130368595.db2.gz JGEPOKVAYYNREX-LBPRGKRZSA-N 0 1 259.374 3.704 20 0 CHADMN c1ncn2cc(-c3ccc(N4CCCC4)cc3)ccc12 ZINC001240589804 1130375425 /nfs/dbraw/zinc/37/54/25/1130375425.db2.gz IVFJREIFUXONKR-UHFFFAOYSA-N 0 1 263.344 3.602 20 0 CHADMN Cc1ccc2ncc(CN3CCCc4sccc4C3)n2c1 ZINC000678259510 1130379720 /nfs/dbraw/zinc/37/97/20/1130379720.db2.gz SQJASNJTEZEUKE-UHFFFAOYSA-N 0 1 297.427 3.653 20 0 CHADMN Cc1cccn2c(CN3CCCc4sccc4C3)cnc12 ZINC000678259446 1130380478 /nfs/dbraw/zinc/38/04/78/1130380478.db2.gz PZBVHKYFKWNWDE-UHFFFAOYSA-N 0 1 297.427 3.653 20 0 CHADMN CC[C@H](CN1CCOC[C@H]1c1ccco1)c1ccccc1 ZINC000678264071 1130382321 /nfs/dbraw/zinc/38/23/21/1130382321.db2.gz JUWBSQSDAOMQKG-WBVHZDCISA-N 0 1 285.387 3.847 20 0 CHADMN C[C@@H]1c2c(F)cccc2CCN1Cc1[nH]nc2ccccc21 ZINC000678267946 1130384882 /nfs/dbraw/zinc/38/48/82/1130384882.db2.gz TWISEJSJMDOPIE-GFCCVEGCSA-N 0 1 295.361 3.821 20 0 CHADMN C[C@H](C(=O)Nc1ccc2ccccc2c1)N1[C@H](C)C[C@H]1C ZINC000791566639 1130385688 /nfs/dbraw/zinc/38/56/88/1130385688.db2.gz BXOMRJCVDQSALM-MGPQQGTHSA-N 0 1 282.387 3.650 20 0 CHADMN C/C=C\CN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000791636535 1130389889 /nfs/dbraw/zinc/38/98/89/1130389889.db2.gz DHYZJTVRLLKUIJ-CWIOURORSA-N 0 1 252.361 3.645 20 0 CHADMN CN(Cc1cc2ccccc2o1)Cc1[nH]nc2ccccc21 ZINC000678281970 1130390115 /nfs/dbraw/zinc/39/01/15/1130390115.db2.gz JUCKGDWVWOWNBT-UHFFFAOYSA-N 0 1 291.354 3.941 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3cc4occc4s3)ccc12 ZINC000678330118 1130401136 /nfs/dbraw/zinc/40/11/36/1130401136.db2.gz SQCCCPROCIXICZ-UHFFFAOYSA-N 0 1 297.339 3.931 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(F)cc2F)c(C)n1 ZINC000678415355 1130412865 /nfs/dbraw/zinc/41/28/65/1130412865.db2.gz BFPJFAZTKDEZEL-LLVKDONJSA-N 0 1 276.330 3.827 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc(F)cc2F)c(C)n1 ZINC000678415356 1130413138 /nfs/dbraw/zinc/41/31/38/1130413138.db2.gz BFPJFAZTKDEZEL-NSHDSACASA-N 0 1 276.330 3.827 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2cnn(C(C)C)c2)c(C)n1 ZINC000678425830 1130415555 /nfs/dbraw/zinc/41/55/55/1130415555.db2.gz BYHQAWCYEWLMKH-DZGCQCFKSA-N 0 1 286.423 3.888 20 0 CHADMN CC(C)[C@H]1C[C@H](Nc2ccnc3cc(F)ccc32)CCO1 ZINC000678483925 1130420794 /nfs/dbraw/zinc/42/07/94/1130420794.db2.gz JGGTXCHTAXDIQN-CXAGYDPISA-N 0 1 288.366 3.989 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(C)nc1C)CO2 ZINC000678597117 1130435116 /nfs/dbraw/zinc/43/51/16/1130435116.db2.gz ZNEWDHQGYHTUEU-YOEHRIQHSA-N 0 1 282.387 3.791 20 0 CHADMN Cc1cc(-c2noc([C@H](C)N[C@H]3CC[C@H]3C)n2)ccc1F ZINC000792180087 1130435466 /nfs/dbraw/zinc/43/54/66/1130435466.db2.gz LFENCGVNOVAHEZ-PUYPPJJSSA-N 0 1 289.354 3.633 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1ccc3c(c1)COC3)C2 ZINC000792179366 1130436578 /nfs/dbraw/zinc/43/65/78/1130436578.db2.gz GSZPWBWNIPILCV-UHFFFAOYSA-N 0 1 279.383 3.584 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc(C)c(C)cc2C)ncn1 ZINC000678605579 1130439215 /nfs/dbraw/zinc/43/92/15/1130439215.db2.gz QGCORPQCXKEHAI-OAHLLOKOSA-N 0 1 269.392 3.561 20 0 CHADMN CCCC[C@@H](NCc1cc(C)ncn1)c1ccccc1 ZINC000678604411 1130439570 /nfs/dbraw/zinc/43/95/70/1130439570.db2.gz DLBMRCOPACKSMS-QGZVFWFLSA-N 0 1 269.392 3.806 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2CN(C)Cc3ccccc32)c(C)n1 ZINC000678605978 1130439813 /nfs/dbraw/zinc/43/98/13/1130439813.db2.gz BXLPCDPNAMINBD-HNAYVOBHSA-N 0 1 295.430 3.536 20 0 CHADMN Cc1cc(CN[C@H]2CC[C@H](C)c3ccccc32)ncn1 ZINC000678604217 1130439843 /nfs/dbraw/zinc/43/98/43/1130439843.db2.gz ASVNGRHXVLPGIT-SJCJKPOMSA-N 0 1 267.376 3.513 20 0 CHADMN Cc1ccnc(CN2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000792291514 1130442748 /nfs/dbraw/zinc/44/27/48/1130442748.db2.gz OORSORUTRXLPMP-CYBMUJFWSA-N 0 1 288.341 3.658 20 0 CHADMN Fc1cccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1F ZINC000678638686 1130443119 /nfs/dbraw/zinc/44/31/19/1130443119.db2.gz MJIBZEDMSDBIKY-KGLIPLIRSA-N 0 1 295.373 3.603 20 0 CHADMN Fc1cccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c1F ZINC000678638686 1130443122 /nfs/dbraw/zinc/44/31/22/1130443122.db2.gz MJIBZEDMSDBIKY-KGLIPLIRSA-N 0 1 295.373 3.603 20 0 CHADMN CCOC(=O)c1cc2cc(-c3cccc(F)c3C)cnc2[nH]1 ZINC001240732084 1130444757 /nfs/dbraw/zinc/44/47/57/1130444757.db2.gz CGZUMKYGVXHCQJ-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc3ccccc32)nn1C ZINC000678728480 1130447879 /nfs/dbraw/zinc/44/78/79/1130447879.db2.gz HPPMKSIAJQDABQ-CQSZACIVSA-N 0 1 279.387 3.733 20 0 CHADMN c1ccc2c(c1)n[nH]c2CN1CCSc2ccccc2C1 ZINC001137351869 1130460728 /nfs/dbraw/zinc/46/07/28/1130460728.db2.gz KXUOAUWGAHJZCA-UHFFFAOYSA-N 0 1 295.411 3.671 20 0 CHADMN c1nc2cccc(-c3ccc4c(c3)CCCO4)c2[nH]1 ZINC001240774354 1130466561 /nfs/dbraw/zinc/46/65/61/1130466561.db2.gz AWZLYJDOXWVHNM-UHFFFAOYSA-N 0 1 250.301 3.555 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)NCc1nccnc1Cl ZINC001170246553 1130467618 /nfs/dbraw/zinc/46/76/18/1130467618.db2.gz AKBFIYALVLLGDP-JTQLQIEISA-N 0 1 296.201 3.504 20 0 CHADMN Cc1cccc(CN[C@@H]2CCCc3ccc(F)cc32)n1 ZINC000678924370 1130472223 /nfs/dbraw/zinc/47/22/23/1130472223.db2.gz MPCWZUCLOKZFNH-QGZVFWFLSA-N 0 1 270.351 3.696 20 0 CHADMN Oc1ccc(-c2cccc(C3=NCCC3)c2)cc1F ZINC001240790933 1130473801 /nfs/dbraw/zinc/47/38/01/1130473801.db2.gz RAUISVDTANSIJX-UHFFFAOYSA-N 0 1 255.292 3.781 20 0 CHADMN CN(C)Cc1cccc(-c2cncc(C(F)(F)F)c2)c1F ZINC001240794581 1130475943 /nfs/dbraw/zinc/47/59/43/1130475943.db2.gz WYDIWODCZHDRAB-UHFFFAOYSA-N 0 1 298.283 3.968 20 0 CHADMN CC[C@H](C)n1nc(NCc2[nH]nc3ccccc32)cc1C ZINC000678940563 1130476360 /nfs/dbraw/zinc/47/63/60/1130476360.db2.gz GGKUVFXJLISNPU-NSHDSACASA-N 0 1 283.379 3.651 20 0 CHADMN CC(C)[C@H]1COCCN1[C@@H](C)Cc1ccccc1Cl ZINC001170288897 1130481031 /nfs/dbraw/zinc/48/10/31/1130481031.db2.gz YSXFRCNBWLJEBU-XJKSGUPXSA-N 0 1 281.827 3.628 20 0 CHADMN COc1ccc(C(F)(F)F)cc1-c1nccc2c1CCN2 ZINC001240823091 1130486547 /nfs/dbraw/zinc/48/65/47/1130486547.db2.gz IMUILQKFJVBBST-UHFFFAOYSA-N 0 1 294.276 3.744 20 0 CHADMN CCO[C@H]1C[C@H](NCc2c(F)ccc(C)c2F)C12CCC2 ZINC001170385076 1130486736 /nfs/dbraw/zinc/48/67/36/1130486736.db2.gz FSLQZMPBQKHLPI-GJZGRUSLSA-N 0 1 295.373 3.711 20 0 CHADMN CC[C@@H](CSc1ccc(Cl)cc1)NCc1cocn1 ZINC000679051707 1130488354 /nfs/dbraw/zinc/48/83/54/1130488354.db2.gz YGCCSZUOKSCANT-LBPRGKRZSA-N 0 1 296.823 3.989 20 0 CHADMN CCOc1cccc(-c2ccc(N3CCN(C)CC3)cc2)c1 ZINC001240855101 1130492848 /nfs/dbraw/zinc/49/28/48/1130492848.db2.gz NZWRBQYUOPXZQA-UHFFFAOYSA-N 0 1 296.414 3.504 20 0 CHADMN CN1CCN(c2ccc(-c3cccc4occc43)cc2)CC1 ZINC001240855087 1130493019 /nfs/dbraw/zinc/49/30/19/1130493019.db2.gz NJRBNKDTJYBWRV-UHFFFAOYSA-N 0 1 292.382 3.852 20 0 CHADMN C=Cc1ccc(F)cc1-c1ccc(N2CCN(C)CC2)cc1 ZINC001240851959 1130493379 /nfs/dbraw/zinc/49/33/79/1130493379.db2.gz GLWCGHFAOUCCJL-UHFFFAOYSA-N 0 1 296.389 3.888 20 0 CHADMN CC(C)c1ccc(-c2ccc(N3CCN(C)CC3)cc2)nc1 ZINC001240849776 1130493440 /nfs/dbraw/zinc/49/34/40/1130493440.db2.gz PHDHWJACCDVWFQ-UHFFFAOYSA-N 0 1 295.430 3.624 20 0 CHADMN CCc1cccc(C)c1-c1ccc(N2CCN(C)CC2)cc1 ZINC001240855400 1130493605 /nfs/dbraw/zinc/49/36/05/1130493605.db2.gz NWTTVQKUJGILBL-UHFFFAOYSA-N 0 1 294.442 3.976 20 0 CHADMN CC[C@H](Cc1ccc2c(c1)OCO2)N[C@H]1CCCC1(F)F ZINC001170418835 1130494984 /nfs/dbraw/zinc/49/49/84/1130494984.db2.gz BQFGBCUPDDKENP-DOMZBBRYSA-N 0 1 297.345 3.514 20 0 CHADMN COc1ccc(-c2cc(N)c(C(F)(F)F)cn2)cc1C ZINC001240862782 1130495320 /nfs/dbraw/zinc/49/53/20/1130495320.db2.gz LWOJVQOAORHHCX-UHFFFAOYSA-N 0 1 282.265 3.667 20 0 CHADMN c1cc2c(s1)CCC[C@@H]2Nc1cnn(-c2ccncc2)c1 ZINC000679127744 1130495453 /nfs/dbraw/zinc/49/54/53/1130495453.db2.gz QBMFCNCIWIGMJH-HNNXBMFYSA-N 0 1 296.399 3.818 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2Nc1cnn(-c2ccncc2)c1 ZINC000679127284 1130495924 /nfs/dbraw/zinc/49/59/24/1130495924.db2.gz LCEGVGNCIBYKNE-QGZVFWFLSA-N 0 1 294.333 3.506 20 0 CHADMN C[C@@H](Nc1cnn(-c2ccncc2)c1)c1ccsc1 ZINC000679128627 1130496810 /nfs/dbraw/zinc/49/68/10/1130496810.db2.gz XOFAJVIPRJLTCS-LLVKDONJSA-N 0 1 270.361 3.502 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1CCCOc1ccc(Cl)cc1 ZINC000679143543 1130498025 /nfs/dbraw/zinc/49/80/25/1130498025.db2.gz ITWNOJIUXXFJQF-UKRRQHHQSA-N 0 1 297.826 3.608 20 0 CHADMN CCC(N)=NOCc1ccc(Br)cc1Cl ZINC000747087809 1130499552 /nfs/dbraw/zinc/49/95/52/1130499552.db2.gz KGNFKAKRUYBYMQ-UHFFFAOYSA-N 0 1 291.576 3.511 20 0 CHADMN CC(C)[C@@H]1N(C[C@H](O)c2cc(F)ccc2F)CC12CCC2 ZINC000793004609 1130512618 /nfs/dbraw/zinc/51/26/18/1130512618.db2.gz NNKPCQNVSKOAPI-HOTGVXAUSA-N 0 1 295.373 3.509 20 0 CHADMN FC(F)[C@@H]1CCN(Cc2cccc(Br)c2)C1 ZINC000679320356 1130512657 /nfs/dbraw/zinc/51/26/57/1130512657.db2.gz RUEVFWRUQMEKIA-SNVBAGLBSA-N 0 1 290.151 3.536 20 0 CHADMN Cc1cccc(-c2n[nH]cc2CN2CC[C@@H](C)[C@@H](F)C2)c1 ZINC000679357906 1130520127 /nfs/dbraw/zinc/52/01/27/1130520127.db2.gz GILHCMWHYSPMRI-CJNGLKHVSA-N 0 1 287.382 3.565 20 0 CHADMN CC[C@H](C)n1ncc(N[C@@H](C)c2cn[nH]c2C)c1C1CC1 ZINC000679364405 1130521924 /nfs/dbraw/zinc/52/19/24/1130521924.db2.gz CYOAMWUIFBDWIH-QWRGUYRKSA-N 0 1 287.411 3.936 20 0 CHADMN CN(Cc1ccc(C(C)(C)C)[nH]1)Cc1ccccc1 ZINC001137371071 1130522858 /nfs/dbraw/zinc/52/28/58/1130522858.db2.gz YFDNOSDSQRWNMI-UHFFFAOYSA-N 0 1 256.393 3.944 20 0 CHADMN CC[C@@H](COC(=O)c1ccc2cncn2c1)c1ccccc1 ZINC000793141651 1130524146 /nfs/dbraw/zinc/52/41/46/1130524146.db2.gz PHMFYXOLAFGBON-AWEZNQCLSA-N 0 1 294.354 3.685 20 0 CHADMN C[C@H](N[C@H](CCc1ccccc1)C(F)F)C1CCOCC1 ZINC000679395024 1130527578 /nfs/dbraw/zinc/52/75/78/1130527578.db2.gz VOUVVMKLVBUFJS-XJKSGUPXSA-N 0 1 297.389 3.658 20 0 CHADMN Oc1ccc(CN[C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000679399041 1130527955 /nfs/dbraw/zinc/52/79/55/1130527955.db2.gz RUFOMVKRUYFAMM-INIZCTEOSA-N 0 1 287.334 3.535 20 0 CHADMN FC1(CN[C@@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000793182110 1130528095 /nfs/dbraw/zinc/52/80/95/1130528095.db2.gz JGNFJMLWJKNPGH-SNVBAGLBSA-N 0 1 290.165 3.909 20 0 CHADMN CC(C)C1CN(Cc2ccc(CSC(F)F)o2)C1 ZINC000793187800 1130529320 /nfs/dbraw/zinc/52/93/20/1130529320.db2.gz ANYSXYBXNFNXRJ-UHFFFAOYSA-N 0 1 275.364 3.823 20 0 CHADMN CC(C)(C)c1ccc(CN2CCc3ccccc3CC2)[nH]1 ZINC001137376199 1130533109 /nfs/dbraw/zinc/53/31/09/1130533109.db2.gz AJAKJALRUHBKHF-UHFFFAOYSA-N 0 1 282.431 3.913 20 0 CHADMN COc1cc(F)c(-c2cc3nc[nH]c3c(C)c2)cc1F ZINC001240956143 1130534586 /nfs/dbraw/zinc/53/45/86/1130534586.db2.gz LLZQPRBCLJTTDZ-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cc(F)c(OC)cc1F ZINC001240958079 1130535424 /nfs/dbraw/zinc/53/54/24/1130535424.db2.gz NWYKOZLOMXSNJZ-UHFFFAOYSA-N 0 1 290.269 3.525 20 0 CHADMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1CCC(F)(F)F ZINC000679544872 1130537433 /nfs/dbraw/zinc/53/74/33/1130537433.db2.gz IOLOYRRSRSGJLO-HTQZYQBOSA-N 0 1 263.225 3.602 20 0 CHADMN Cc1cccnc1CN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679543564 1130537943 /nfs/dbraw/zinc/53/79/43/1130537943.db2.gz VKLCYEMMAOHKKX-RYUDHWBXSA-N 0 1 272.314 3.553 20 0 CHADMN C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(F)cc1 ZINC000679547228 1130539501 /nfs/dbraw/zinc/53/95/01/1130539501.db2.gz ZZIJVFSBVFNENN-JQWIXIFHSA-N 0 1 275.289 3.989 20 0 CHADMN Cc1ccncc1CN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679545912 1130540284 /nfs/dbraw/zinc/54/02/84/1130540284.db2.gz MSXPEJPSFQACFQ-WCQYABFASA-N 0 1 272.314 3.553 20 0 CHADMN CN(Cc1cccnc1Cl)[C@@H]1CCC(C)(C)C1 ZINC000793353308 1130543726 /nfs/dbraw/zinc/54/37/26/1130543726.db2.gz RQOLNVLEOOBYFV-GFCCVEGCSA-N 0 1 252.789 3.746 20 0 CHADMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1n[nH]c2ccccc21 ZINC000679584094 1130544125 /nfs/dbraw/zinc/54/41/25/1130544125.db2.gz KSUHVUPRCQTJJT-GHMZBOCLSA-N 0 1 297.324 3.726 20 0 CHADMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1[nH]nc2ccccc21 ZINC000679584094 1130544136 /nfs/dbraw/zinc/54/41/36/1130544136.db2.gz KSUHVUPRCQTJJT-GHMZBOCLSA-N 0 1 297.324 3.726 20 0 CHADMN O=c1ccoc2ccc(-c3ccc(CN4CCC4)cc3)cc12 ZINC001240970300 1130544188 /nfs/dbraw/zinc/54/41/88/1130544188.db2.gz HDEUEBUKUGNKSP-UHFFFAOYSA-N 0 1 291.350 3.666 20 0 CHADMN FC(F)c1ccc(CN2CCC(F)(F)CC2)cc1 ZINC000793361036 1130544874 /nfs/dbraw/zinc/54/48/74/1130544874.db2.gz APOLRGQXVFRXKX-UHFFFAOYSA-N 0 1 261.262 3.855 20 0 CHADMN CN(Cc1ccccc1F)C[C@@]1(C)CC1(Cl)Cl ZINC000827294711 1130546894 /nfs/dbraw/zinc/54/68/94/1130546894.db2.gz NLJPKBOCWOXREC-GFCCVEGCSA-N 0 1 276.182 3.841 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1cc(Cl)ccn1 ZINC001139565536 1130547517 /nfs/dbraw/zinc/54/75/17/1130547517.db2.gz CQLOUWFDUMOLOP-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN Cc1nc2cccc(-c3cc(F)c(F)c(F)c3)c2[nH]1 ZINC001240980145 1130548460 /nfs/dbraw/zinc/54/84/60/1130548460.db2.gz GRHSFHNJKGGLAU-UHFFFAOYSA-N 0 1 262.234 3.956 20 0 CHADMN FC(F)(F)c1ccc(CN2CCC(F)(F)CC2)cc1 ZINC000793351254 1130549956 /nfs/dbraw/zinc/54/99/56/1130549956.db2.gz FBRKZFSAEUDVDJ-UHFFFAOYSA-N 0 1 279.252 3.937 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N1CCC[C@H](OC(F)F)C1)CC2 ZINC000679683584 1130551772 /nfs/dbraw/zinc/55/17/72/1130551772.db2.gz ZWEMWMUAGDCZHU-JSGCOSHPSA-N 0 1 285.309 3.517 20 0 CHADMN CC(C)[C@@H](NCc1cn[nH]c1)c1ccc(Cl)cc1F ZINC000679750429 1130553934 /nfs/dbraw/zinc/55/39/34/1130553934.db2.gz FZGYCNJZYUKASK-CQSZACIVSA-N 0 1 281.762 3.689 20 0 CHADMN F[C@H]1CN(Cc2cccc(-c3ccncc3)c2)C[C@@H]2C[C@@H]21 ZINC001137388903 1130557052 /nfs/dbraw/zinc/55/70/52/1130557052.db2.gz XCUVDIQYEMEGQN-BZSNNMDCSA-N 0 1 282.362 3.538 20 0 CHADMN COc1cccc(F)c1-c1ccc(CN(C)C)c(F)c1 ZINC001241014049 1130566299 /nfs/dbraw/zinc/56/62/99/1130566299.db2.gz QWXHHQGWIGZCKR-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN Cc1cc([C@@H](C)NC2(c3ccc(Cl)cc3)CC2)n(C)n1 ZINC000793547072 1130567529 /nfs/dbraw/zinc/56/75/29/1130567529.db2.gz JRKLNPHTEGNWSE-GFCCVEGCSA-N 0 1 289.810 3.722 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(C(F)F)cc2)n(C)n1 ZINC000793554461 1130569773 /nfs/dbraw/zinc/56/97/73/1130569773.db2.gz PZZQFZSZYPFDNW-LLVKDONJSA-N 0 1 279.334 3.517 20 0 CHADMN C[C@]1(F)CCCCN(Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001233963922 1130591169 /nfs/dbraw/zinc/59/11/69/1130591169.db2.gz DWHKXTUZPGIQJL-KRWDZBQOSA-N 0 1 288.366 3.655 20 0 CHADMN CCCc1ccc(COC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000758139658 1130600738 /nfs/dbraw/zinc/60/07/38/1130600738.db2.gz UOKOHPGVIBLDDH-HNNXBMFYSA-N 0 1 298.386 3.526 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](Cn2cc(C)cnc2=S)C1 ZINC000758347515 1130605860 /nfs/dbraw/zinc/60/58/60/1130605860.db2.gz QWKWNNJURBXVLJ-HNNXBMFYSA-N 0 1 279.453 3.781 20 0 CHADMN CCC[C@@]1(C)CCCN(Cn2cc(C)cnc2=S)C1 ZINC000758347515 1130605864 /nfs/dbraw/zinc/60/58/64/1130605864.db2.gz QWKWNNJURBXVLJ-HNNXBMFYSA-N 0 1 279.453 3.781 20 0 CHADMN Cc1cnc(=S)n(CN(C)C[C@H](C)c2ccccc2)c1 ZINC000758318158 1130606441 /nfs/dbraw/zinc/60/64/41/1130606441.db2.gz JDRQTMGIYVKYNC-AWEZNQCLSA-N 0 1 287.432 3.614 20 0 CHADMN Cc1cnc(=S)n(CN2CC[C@@](C)(c3ccccc3)C2)c1 ZINC000758350496 1130606825 /nfs/dbraw/zinc/60/68/25/1130606825.db2.gz CETJLBANLXUXIF-QGZVFWFLSA-N 0 1 299.443 3.542 20 0 CHADMN CN(C)c1ccnc(Cl)c1CN(C)C1CCCCC1 ZINC001234097518 1130608190 /nfs/dbraw/zinc/60/81/90/1130608190.db2.gz WURNCAYALUQXFZ-UHFFFAOYSA-N 0 1 281.831 3.566 20 0 CHADMN CCCN(Cc1c(Cl)nccc1N(C)C)CC(C)C ZINC001234149446 1130612240 /nfs/dbraw/zinc/61/22/40/1130612240.db2.gz ALGZNSWDBBYHGK-UHFFFAOYSA-N 0 1 283.847 3.669 20 0 CHADMN CN(C)Cc1ccc(NCC2Cc3ccccc3C2)cc1F ZINC000811471623 1130614420 /nfs/dbraw/zinc/61/44/20/1130614420.db2.gz UGWXOQKHIWWVSZ-UHFFFAOYSA-N 0 1 298.405 3.714 20 0 CHADMN c1cc(CN2CCSc3ccccc3C2)cs1 ZINC001204042717 1130624245 /nfs/dbraw/zinc/62/42/45/1130624245.db2.gz NGGBLPHAMULTDW-UHFFFAOYSA-N 0 1 261.415 3.856 20 0 CHADMN CCc1ccc(C[N@@H+](C)C[C@@H](C)C(F)(F)F)cc1 ZINC000441154454 1130635107 /nfs/dbraw/zinc/63/51/07/1130635107.db2.gz JYYQHQQDEWOUJV-LLVKDONJSA-N 0 1 259.315 3.879 20 0 CHADMN C[C@@H]1CC[C@@H](CC(=O)Nc2ccc(CN(C)C)c(F)c2)C1 ZINC000759238657 1130646198 /nfs/dbraw/zinc/64/61/98/1130646198.db2.gz JAUNJFHKAMAAEG-CHWSQXEVSA-N 0 1 292.398 3.652 20 0 CHADMN CCO[C@H]1C[C@H](NCc2ncc(C(C)C)o2)C1(CC)CC ZINC000759436256 1130658615 /nfs/dbraw/zinc/65/86/15/1130658615.db2.gz LCPHVBLJQMBOBN-GJZGRUSLSA-N 0 1 294.439 3.871 20 0 CHADMN O=C(/C=C/c1cccc(F)c1)Nc1cccc(Cl)c1O ZINC000759711878 1130671724 /nfs/dbraw/zinc/67/17/24/1130671724.db2.gz SOFVREGSGHCYPA-BQYQJAHWSA-N 0 1 291.709 3.837 20 0 CHADMN CCCCC[C@@H](CCC)Oc1nc(F)nc2nc[nH]c21 ZINC001234690525 1130673831 /nfs/dbraw/zinc/67/38/31/1130673831.db2.gz POSRCGJTFYCDLM-SNVBAGLBSA-N 0 1 280.347 3.620 20 0 CHADMN C[NH+]1C(C)(C)CC(Oc2nc3ccsc3[n-]2)CC1(C)C ZINC001234849172 1130682837 /nfs/dbraw/zinc/68/28/37/1130682837.db2.gz ZISLMPMZSQLBPB-UHFFFAOYSA-N 0 1 293.436 3.655 20 0 CHADMN C[NH+]1C(C)(C)CC(Oc2nc3sccc3[n-]2)CC1(C)C ZINC001234849172 1130682839 /nfs/dbraw/zinc/68/28/39/1130682839.db2.gz ZISLMPMZSQLBPB-UHFFFAOYSA-N 0 1 293.436 3.655 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@H](C)c1cncs1)CCC2 ZINC000780746418 1130690049 /nfs/dbraw/zinc/69/00/49/1130690049.db2.gz OFQMUWUMOVUIIP-PSASIEDQSA-N 0 1 279.434 3.636 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@@H](C)c1cncs1)CCC2 ZINC000780746421 1130690376 /nfs/dbraw/zinc/69/03/76/1130690376.db2.gz OFQMUWUMOVUIIP-WCBMZHEXSA-N 0 1 279.434 3.636 20 0 CHADMN CCCc1ccc(O[C@@H]2CCCN(CC)C2)c(C(C)=O)c1 ZINC001234910223 1130691152 /nfs/dbraw/zinc/69/11/52/1130691152.db2.gz KMDSMCKDPLFCPI-MRXNPFEDSA-N 0 1 289.419 3.705 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(N3CCCC3)c2)cn1 ZINC001235099545 1130710823 /nfs/dbraw/zinc/71/08/23/1130710823.db2.gz ULRPAAZSKHXREV-UHFFFAOYSA-N 0 1 295.430 3.622 20 0 CHADMN CCOc1cc(CN2CCC[C@@H]2C)ccc1Br ZINC001235444263 1130744970 /nfs/dbraw/zinc/74/49/70/1130744970.db2.gz KILUZZGSFVKDOR-NSHDSACASA-N 0 1 298.224 3.832 20 0 CHADMN CCN(Cc1cc(-c2ccsc2)cs1)C1CN(C)C1 ZINC001235187846 1130721260 /nfs/dbraw/zinc/72/12/60/1130721260.db2.gz DAXJHTXOSWIOBE-UHFFFAOYSA-N 0 1 292.473 3.613 20 0 CHADMN C[C@@H]1CCN(Cc2cc3c(cccc3Br)[nH]2)C1 ZINC001235212331 1130724256 /nfs/dbraw/zinc/72/42/56/1130724256.db2.gz KUQTZEADJIHJEF-SNVBAGLBSA-N 0 1 293.208 3.772 20 0 CHADMN CCc1cccc(CN(C)[C@@H](C)c2ccc(OC)cc2)n1 ZINC001235257530 1130729498 /nfs/dbraw/zinc/72/94/98/1130729498.db2.gz HUEXLBLRUNAQAF-AWEZNQCLSA-N 0 1 284.403 3.846 20 0 CHADMN CCc1cccc(CN2CCC[C@@H]2c2ccc(C)nc2)n1 ZINC001235264632 1130730329 /nfs/dbraw/zinc/73/03/29/1130730329.db2.gz OSBSDGWNKMNOEF-GOSISDBHSA-N 0 1 281.403 3.685 20 0 CHADMN CCc1cccc(CN2Cc3ccccc3C(C)(C)C2)n1 ZINC001235265185 1130730543 /nfs/dbraw/zinc/73/05/43/1130730543.db2.gz UJWCNIBAIDWXHZ-UHFFFAOYSA-N 0 1 280.415 3.937 20 0 CHADMN CCOc1cc(O)cc(CN2Cc3ccccc3[C@@H](C)C2)c1 ZINC001235385424 1130736720 /nfs/dbraw/zinc/73/67/20/1130736720.db2.gz KIDRHVAETOKSAQ-AWEZNQCLSA-N 0 1 297.398 3.910 20 0 CHADMN CCOc1cc(O)cc(CN2CCC(F)(F)C(C)(C)C2)c1 ZINC001235394416 1130738677 /nfs/dbraw/zinc/73/86/77/1130738677.db2.gz STBVCINXIUTJMS-UHFFFAOYSA-N 0 1 299.361 3.658 20 0 CHADMN COc1cc(CN2C3CCCC2CCC3)cc(F)c1F ZINC001235435990 1130743832 /nfs/dbraw/zinc/74/38/32/1130743832.db2.gz ARPXXJYHOZVZLD-UHFFFAOYSA-N 0 1 281.346 3.880 20 0 CHADMN COc1cc(CN2CCC[C@H]3CCC[C@H]32)cc(F)c1F ZINC001235450412 1130745014 /nfs/dbraw/zinc/74/50/14/1130745014.db2.gz FUTGIQDMPRFLPR-TZMCWYRMSA-N 0 1 281.346 3.738 20 0 CHADMN Cc1cc(Br)cc(C)c1CN1CC[C@H]1C ZINC001235781883 1130778200 /nfs/dbraw/zinc/77/82/00/1130778200.db2.gz TWDQZYINMGIEFN-LLVKDONJSA-N 0 1 268.198 3.660 20 0 CHADMN C[C@@H]1CC[C@@]2(CCN(Cc3cnc(Cl)s3)C2)C1 ZINC000782106771 1130755341 /nfs/dbraw/zinc/75/53/41/1130755341.db2.gz JMHZIXVCKIAZGF-ZWNOBZJWSA-N 0 1 270.829 3.809 20 0 CHADMN CC(C)[C@H](C)[N@H+](Cc1ccc([O-])c(F)c1)C1CC1 ZINC000813334294 1130761762 /nfs/dbraw/zinc/76/17/62/1130761762.db2.gz DHUFCJCCCIJOJR-NSHDSACASA-N 0 1 251.345 3.540 20 0 CHADMN CC(C)[C@H](C)[N@@H+](Cc1ccc([O-])c(F)c1)C1CC1 ZINC000813334294 1130761768 /nfs/dbraw/zinc/76/17/68/1130761768.db2.gz DHUFCJCCCIJOJR-NSHDSACASA-N 0 1 251.345 3.540 20 0 CHADMN Cc1cncc(Br)c1CN1C[C@H](C)CC12CC2 ZINC001235651504 1130761873 /nfs/dbraw/zinc/76/18/73/1130761873.db2.gz RIZBLXGMGPLXRR-SNVBAGLBSA-N 0 1 295.224 3.527 20 0 CHADMN COc1c(C)nc(C2CC2)nc1-c1cc(Cl)ccc1O ZINC001245050533 1130771852 /nfs/dbraw/zinc/77/18/52/1130771852.db2.gz HXISWWNTFGXTPJ-UHFFFAOYSA-N 0 1 290.750 3.697 20 0 CHADMN Cc1cc(Br)cc(CN2CC[C@H](C)C2)c1F ZINC001235720622 1130773232 /nfs/dbraw/zinc/77/32/32/1130773232.db2.gz XNYXUJPSHQMQKH-VIFPVBQESA-N 0 1 286.188 3.738 20 0 CHADMN Cc1ccc(Br)c(CN2CCC[C@@H]2C)c1F ZINC001235740767 1130775340 /nfs/dbraw/zinc/77/53/40/1130775340.db2.gz CMARGHIMXFLRFR-JTQLQIEISA-N 0 1 286.188 3.881 20 0 CHADMN Cc1cc(Br)cc(C)c1CN1CC2CC(C2)C1 ZINC001235789543 1130779617 /nfs/dbraw/zinc/77/96/17/1130779617.db2.gz NFTYCXNVJDANLT-UHFFFAOYSA-N 0 1 294.236 3.908 20 0 CHADMN CCOc1cc(CN(CC)Cc2cccnc2)ccc1F ZINC001235798388 1130779705 /nfs/dbraw/zinc/77/97/05/1130779705.db2.gz DWKJQGWOMPTMCM-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN Cc1cc(CN2CCCC[C@H](C)C2)cnc1Br ZINC001235818321 1130781557 /nfs/dbraw/zinc/78/15/57/1130781557.db2.gz FITAVBIGKADSEO-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN CCOc1cc(C[N@H+]2C[C@@H](C)CC23CC3)ccc1F ZINC001235804987 1130782474 /nfs/dbraw/zinc/78/24/74/1130782474.db2.gz FQBUHMMRMCNEAT-LBPRGKRZSA-N 0 1 263.356 3.599 20 0 CHADMN COc1ccc(N[C@@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000813863035 1130790302 /nfs/dbraw/zinc/79/03/02/1130790302.db2.gz GMWQSUZYDJEDML-OAHLLOKOSA-N 0 1 286.379 3.547 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1cc(Cl)nc(Cl)c1 ZINC000783004047 1130794628 /nfs/dbraw/zinc/79/46/28/1130794628.db2.gz XPGXIMPADBMJKY-SNVBAGLBSA-N 0 1 296.201 3.943 20 0 CHADMN Cc1ccccc1[C@H](C)OC(=O)Cc1[nH]nc2ccccc21 ZINC000783157151 1130799365 /nfs/dbraw/zinc/79/93/65/1130799365.db2.gz NDONMXUDSILSLE-ZDUSSCGKSA-N 0 1 294.354 3.718 20 0 CHADMN CC(C)(C)Oc1ccc(-c2[nH]ccc3ncnc2-3)cc1 ZINC001235926207 1130805892 /nfs/dbraw/zinc/80/58/92/1130805892.db2.gz NTFQVWCNWWBOHE-UHFFFAOYSA-N 0 1 267.332 3.802 20 0 CHADMN CC(C)(C)Oc1ccc(-c2nccc3[nH]cnc32)cc1 ZINC001235926207 1130805893 /nfs/dbraw/zinc/80/58/93/1130805893.db2.gz NTFQVWCNWWBOHE-UHFFFAOYSA-N 0 1 267.332 3.802 20 0 CHADMN C[C@H](CN[C@H](c1ncc[nH]1)c1ccccc1)C(C)(C)C ZINC000783246301 1130806683 /nfs/dbraw/zinc/80/66/83/1130806683.db2.gz QVOOGLUJTIMAKI-HIFRSBDPSA-N 0 1 271.408 3.771 20 0 CHADMN Fc1ccc([C@H](NC[C@H]2CCC=CO2)c2cccnc2)cc1 ZINC000783305594 1130814247 /nfs/dbraw/zinc/81/42/47/1130814247.db2.gz SWQILIYZOSLNKY-MSOLQXFVSA-N 0 1 298.361 3.592 20 0 CHADMN Cc1ccc2nc(-c3c(F)cc(F)c(O)c3F)ncc2c1 ZINC001235987205 1130822884 /nfs/dbraw/zinc/82/28/84/1130822884.db2.gz ZNUJGQZIVDNCDR-UHFFFAOYSA-N 0 1 290.244 3.728 20 0 CHADMN Oc1c(F)cc(F)c(-c2ncnc3cccc(F)c32)c1F ZINC001235986212 1130823162 /nfs/dbraw/zinc/82/31/62/1130823162.db2.gz TWXGCGAHYSFWJD-UHFFFAOYSA-N 0 1 294.207 3.559 20 0 CHADMN CC(=O)Nc1cc(-c2c(F)cc(F)c(O)c2F)ccc1C ZINC001235995961 1130825742 /nfs/dbraw/zinc/82/57/42/1130825742.db2.gz IGTJFTICOZYLJS-UHFFFAOYSA-N 0 1 295.260 3.743 20 0 CHADMN Cc1cc2cc(-c3c(F)cc(F)c(O)c3F)ncc2[nH]1 ZINC001235990761 1130826123 /nfs/dbraw/zinc/82/61/23/1130826123.db2.gz PVLPTAFJRHYFGY-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN Oc1c(F)cc(F)c(-c2cccc(-c3ncc[nH]3)c2)c1F ZINC001235998454 1130826820 /nfs/dbraw/zinc/82/68/20/1130826820.db2.gz YCLXZOOBIHJYMR-UHFFFAOYSA-N 0 1 290.244 3.867 20 0 CHADMN COc1cc2cc[nH]c2cc1-c1c(F)cc(F)c(O)c1F ZINC001235998827 1130826862 /nfs/dbraw/zinc/82/68/62/1130826862.db2.gz PXFRBZUVCGQVJF-UHFFFAOYSA-N 0 1 293.244 3.966 20 0 CHADMN COc1cc(F)c(F)cc1-c1c(F)cc(F)c(O)c1F ZINC001235999055 1130827041 /nfs/dbraw/zinc/82/70/41/1130827041.db2.gz WFNJMXZMXOTFCC-UHFFFAOYSA-N 0 1 290.187 3.763 20 0 CHADMN CN(C)c1ccc(-c2c(F)cc(F)c(O)c2F)cc1 ZINC001235998832 1130827691 /nfs/dbraw/zinc/82/76/91/1130827691.db2.gz QCMHOMHOEMMHIA-UHFFFAOYSA-N 0 1 267.250 3.543 20 0 CHADMN CCOc1ccc(-c2c(F)cc(F)c(O)c2F)cc1OC ZINC001236000903 1130829323 /nfs/dbraw/zinc/82/93/23/1130829323.db2.gz ZTHMQUWFRHJJQJ-UHFFFAOYSA-N 0 1 298.260 3.884 20 0 CHADMN Oc1c(F)cc(F)c(-c2cccc3c2COC3)c1F ZINC001236002279 1130829908 /nfs/dbraw/zinc/82/99/08/1130829908.db2.gz MHPDJNABZWLRSY-UHFFFAOYSA-N 0 1 266.218 3.507 20 0 CHADMN CC1(C)CNc2cc(-c3c(F)cc(F)c(O)c3F)cnc21 ZINC001236001024 1130830249 /nfs/dbraw/zinc/83/02/49/1130830249.db2.gz RSSWVVFVIMRDQL-UHFFFAOYSA-N 0 1 294.276 3.575 20 0 CHADMN Cc1cc(Cl)cc(CN2CCc3cc(N)ccc3C2)c1 ZINC001236104945 1130865367 /nfs/dbraw/zinc/86/53/67/1130865367.db2.gz CKTWQOYOZYKOQH-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN Cc1cccc([C@H]2CCN(Cn3cc(C)cnc3=S)C2)c1 ZINC000784024550 1130869709 /nfs/dbraw/zinc/86/97/09/1130869709.db2.gz FYAOOYJYXGVVOY-INIZCTEOSA-N 0 1 299.443 3.676 20 0 CHADMN CN[C@H]1CCN1Cc1ccc(/C=C/c2ccccc2)cc1 ZINC001236168367 1130878061 /nfs/dbraw/zinc/87/80/61/1130878061.db2.gz STEJURZYNNPQAY-IHHMQQGQSA-N 0 1 278.399 3.608 20 0 CHADMN CN[C@H]1CCN1Cc1ccc2sc3ccccc3c2c1 ZINC001236167037 1130878943 /nfs/dbraw/zinc/87/89/43/1130878943.db2.gz LMYFJSJTVCIKGD-QGZVFWFLSA-N 0 1 282.412 3.806 20 0 CHADMN COc1cc(-c2nccc3c2ccn3C)cc(C)c1F ZINC001236179076 1130880570 /nfs/dbraw/zinc/88/05/70/1130880570.db2.gz NLWQJPKWUVMEND-UHFFFAOYSA-N 0 1 270.307 3.696 20 0 CHADMN Cc1ccc2ccc(OC(=O)C34CCCN3CCC4)cc2c1 ZINC001134515339 1130890734 /nfs/dbraw/zinc/89/07/34/1130890734.db2.gz PVYMZYPWEVKSMR-UHFFFAOYSA-N 0 1 295.382 3.682 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1c(F)cc(C)cc1OC ZINC001236230836 1130899020 /nfs/dbraw/zinc/89/90/20/1130899020.db2.gz FGEKITOLOKVDOP-UHFFFAOYSA-N 0 1 286.306 3.695 20 0 CHADMN CCC/C(C)=C\C(=O)Nc1ccccc1-c1cn[nH]c1 ZINC000784472794 1130905859 /nfs/dbraw/zinc/90/58/59/1130905859.db2.gz WILISKJPQQUKDA-XFXZXTDPSA-N 0 1 269.348 3.762 20 0 CHADMN Cc1c(N)ccnc1-c1ccc(F)c(OC(C)C)c1F ZINC001236340294 1130915744 /nfs/dbraw/zinc/91/57/44/1130915744.db2.gz YKVPJQHQLWDVQM-UHFFFAOYSA-N 0 1 278.302 3.705 20 0 CHADMN Cc1cc2[nH]ccc2c(-c2c(F)ccc(C)c2[O-])[nH+]1 ZINC001236392211 1130926110 /nfs/dbraw/zinc/92/61/10/1130926110.db2.gz MMNYNLZLXQPTLY-UHFFFAOYSA-N 0 1 256.280 3.691 20 0 CHADMN Cc1nc2cc(-c3c(F)ccc(C)c3O)ccc2[nH]1 ZINC001236402846 1130928953 /nfs/dbraw/zinc/92/89/53/1130928953.db2.gz OPNANGDSCZANDM-UHFFFAOYSA-N 0 1 256.280 3.691 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(=O)[nH]n1)c1csc2ccccc21 ZINC000796756613 1130929099 /nfs/dbraw/zinc/92/90/99/1130929099.db2.gz VRCMLQQMJFNFMP-MNOVXSKESA-N 0 1 299.399 3.809 20 0 CHADMN CCc1cc(CN[C@H](CCC(C)C)c2ccoc2)n[nH]1 ZINC000796758491 1130929360 /nfs/dbraw/zinc/92/93/60/1130929360.db2.gz CQCNSPJIYBXSNJ-MRXNPFEDSA-N 0 1 275.396 3.832 20 0 CHADMN CCc1cc(CN[C@H](CCC(C)C)c2ccoc2)[nH]n1 ZINC000796758491 1130929364 /nfs/dbraw/zinc/92/93/64/1130929364.db2.gz CQCNSPJIYBXSNJ-MRXNPFEDSA-N 0 1 275.396 3.832 20 0 CHADMN Cc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1OC(F)F ZINC000796879035 1130942947 /nfs/dbraw/zinc/94/29/47/1130942947.db2.gz ILJXXNNAPQTMOK-LBPRGKRZSA-N 0 1 293.317 3.809 20 0 CHADMN CC(C)n1ncc2cc(N[C@@H]3CCCc4[nH]ncc43)ccc21 ZINC000796926982 1130946702 /nfs/dbraw/zinc/94/67/02/1130946702.db2.gz RDEFYMYNTOSEDR-OAHLLOKOSA-N 0 1 295.390 3.830 20 0 CHADMN CC[C@@H](C)CCC(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000796955634 1130949271 /nfs/dbraw/zinc/94/92/71/1130949271.db2.gz ZRMIMMWGAQVPRF-GFCCVEGCSA-N 0 1 280.387 3.652 20 0 CHADMN c1nc2cc(N[C@H]3CCCc4[nH]ncc43)ccc2s1 ZINC000796964494 1130950179 /nfs/dbraw/zinc/95/01/79/1130950179.db2.gz IOHNURRRDXFLDE-NSHDSACASA-N 0 1 270.361 3.509 20 0 CHADMN CC[N@H+](Cc1ccoc1)C[C@H](O)c1cccc2ccccc21 ZINC000815034604 1130954098 /nfs/dbraw/zinc/95/40/98/1130954098.db2.gz VGTKPQMPYYSNGX-IBGZPJMESA-N 0 1 295.382 3.988 20 0 CHADMN Cn1ncc(CN[C@@H](CC2CC2)c2ccccc2)c1Cl ZINC000815127509 1130959915 /nfs/dbraw/zinc/95/99/15/1130959915.db2.gz VJJAUWAPPNYJCB-HNNXBMFYSA-N 0 1 289.810 3.705 20 0 CHADMN Cl/C=C\CN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000815207697 1130973155 /nfs/dbraw/zinc/97/31/55/1130973155.db2.gz NEPBJYMTMBCABX-GDTHVTPJSA-N 0 1 272.175 3.546 20 0 CHADMN CC(C)Oc1cc(-c2ccc(F)c(CN(C)C)c2)ccn1 ZINC001236568963 1130976332 /nfs/dbraw/zinc/97/63/32/1130976332.db2.gz BJUJLVHDXVXZBN-UHFFFAOYSA-N 0 1 288.366 3.737 20 0 CHADMN CC[C@@H]1CCN(Cc2c(Br)cccc2OC)C1 ZINC001236682964 1130992644 /nfs/dbraw/zinc/99/26/44/1130992644.db2.gz YSWVDOQHTDOMIO-LLVKDONJSA-N 0 1 298.224 3.690 20 0 CHADMN CC(C)[C@H]1CN(Cc2cccc3sccc32)CCO1 ZINC001236684713 1130994701 /nfs/dbraw/zinc/99/47/01/1130994701.db2.gz WCOWLMHLHUUVCM-OAHLLOKOSA-N 0 1 275.417 3.758 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2cccc(O)c2)cc(Cl)n1 ZINC000797590477 1130995610 /nfs/dbraw/zinc/99/56/10/1130995610.db2.gz BTJPFYBVJLCEGU-LBPRGKRZSA-N 0 1 290.794 3.942 20 0 CHADMN CCC(CC)[N@H+](C)Cc1ccc(Br)c([O-])c1 ZINC001236699421 1130996737 /nfs/dbraw/zinc/99/67/37/1130996737.db2.gz UYVAQUWCYWUKIO-UHFFFAOYSA-N 0 1 286.213 3.775 20 0 CHADMN CCC(CC)[N@@H+](C)Cc1ccc(Br)c([O-])c1 ZINC001236699421 1130996743 /nfs/dbraw/zinc/99/67/43/1130996743.db2.gz UYVAQUWCYWUKIO-UHFFFAOYSA-N 0 1 286.213 3.775 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1cnc(OCC)c(F)c1 ZINC001236692664 1130996820 /nfs/dbraw/zinc/99/68/20/1130996820.db2.gz IUWKMZLWESZJKW-CQSZACIVSA-N 0 1 280.387 3.774 20 0 CHADMN COC[C@H](NCc1cc(C)nc(Cl)c1)c1ccccc1 ZINC000797600539 1130997487 /nfs/dbraw/zinc/99/74/87/1130997487.db2.gz YISDJZCYLBSNBX-HNNXBMFYSA-N 0 1 290.794 3.521 20 0 CHADMN Cc1c(F)ccc(CN2CCC[C@@H](CF)C2)c1Cl ZINC001236720223 1130999575 /nfs/dbraw/zinc/99/95/75/1130999575.db2.gz YFXAZADFHHBZJM-NSHDSACASA-N 0 1 273.754 3.969 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(Cl)cc(C(=O)OC)c2)C1 ZINC001236775375 1131003896 /nfs/dbraw/zinc/00/38/96/1131003896.db2.gz KXGAILKDKALICI-GFCCVEGCSA-N 0 1 295.810 3.749 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)N[C@H](CO)c1cccc(F)c1 ZINC000815593224 1131006389 /nfs/dbraw/zinc/00/63/89/1131006389.db2.gz FUNOZMJNAUBEEC-SJKOYZFVSA-N 0 1 291.341 3.657 20 0 CHADMN COc1cc(CN2CCCC[C@H](C)C2)c(F)cc1F ZINC001236817387 1131014281 /nfs/dbraw/zinc/01/42/81/1131014281.db2.gz LOZFRWCNPKLQBY-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN Cc1cc(Br)sc1CN1C2CCC1CC2 ZINC001236826530 1131015459 /nfs/dbraw/zinc/01/54/59/1131015459.db2.gz NVZTVEGYYDEHED-UHFFFAOYSA-N 0 1 286.238 3.946 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(OC)c(F)cc2F)C1 ZINC001236833550 1131019823 /nfs/dbraw/zinc/01/98/23/1131019823.db2.gz GFGPIQMWNQWBBW-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CCOc1cncc(CN2CCc3ccccc3[C@@H]2CC)c1 ZINC001236844579 1131021503 /nfs/dbraw/zinc/02/15/03/1131021503.db2.gz DBTLVAXGIQHZPR-IBGZPJMESA-N 0 1 296.414 3.990 20 0 CHADMN C[C@H]1CCCN1Cc1nc2ccccc2cc1Cl ZINC001236870842 1131026611 /nfs/dbraw/zinc/02/66/11/1131026611.db2.gz MSSXIMJWEZIKAZ-NSHDSACASA-N 0 1 260.768 3.873 20 0 CHADMN FC[C@H]1[C@@H]2CN(Cc3nc4ccccc4cc3Cl)C[C@H]12 ZINC001236880545 1131027270 /nfs/dbraw/zinc/02/72/70/1131027270.db2.gz KYLQYUNZNGXGBY-XYYAHUGASA-N 0 1 290.769 3.536 20 0 CHADMN Cc1cccc(-c2ccc(CN3CC=CC3)cn2)c1C ZINC001236979164 1131032509 /nfs/dbraw/zinc/03/25/09/1131032509.db2.gz FTGKSJPGXBZJAY-UHFFFAOYSA-N 0 1 264.372 3.737 20 0 CHADMN CN(Cc1ccccc1OC(C)(C)C)C[C@@H]1CCCCO1 ZINC001237030798 1131038174 /nfs/dbraw/zinc/03/81/74/1131038174.db2.gz HJQOBFLYTXQLPX-INIZCTEOSA-N 0 1 291.435 3.865 20 0 CHADMN c1cnc2c(c1)CCN(Cc1ccc(C3CCC3)cc1)C2 ZINC001237106963 1131050916 /nfs/dbraw/zinc/05/09/16/1131050916.db2.gz KIXQKFSILVTNNH-UHFFFAOYSA-N 0 1 278.399 3.907 20 0 CHADMN CN(Cc1cnccc1Br)C1CCCCC1 ZINC001237382561 1131094972 /nfs/dbraw/zinc/09/49/72/1131094972.db2.gz CRMZVDDFHWIVAX-UHFFFAOYSA-N 0 1 283.213 3.609 20 0 CHADMN F[C@@H]1CN(Cc2ccnc3c(Cl)cccc23)C[C@@H]2C[C@@H]21 ZINC001237151379 1131059849 /nfs/dbraw/zinc/05/98/49/1131059849.db2.gz VGTCMCCSOYCPCH-CORIIIEPSA-N 0 1 290.769 3.678 20 0 CHADMN Fc1ccc(C[C@@H]2CCC[N@@H+]2Cc2occc2[S-])cc1 ZINC001237186218 1131065830 /nfs/dbraw/zinc/06/58/30/1131065830.db2.gz JPDGFCUJPPSJQL-AWEZNQCLSA-N 0 1 291.391 3.915 20 0 CHADMN Fc1ccc(C[C@@H]2CCC[N@H+]2Cc2occc2[S-])cc1 ZINC001237186218 1131065836 /nfs/dbraw/zinc/06/58/36/1131065836.db2.gz JPDGFCUJPPSJQL-AWEZNQCLSA-N 0 1 291.391 3.915 20 0 CHADMN CCCN(Cc1ccc(C)cc1)Cc1cnc(Cl)cn1 ZINC000799106083 1131069238 /nfs/dbraw/zinc/06/92/38/1131069238.db2.gz VLRBPWSDYSMGEM-UHFFFAOYSA-N 0 1 289.810 3.851 20 0 CHADMN Cc1ccc(F)c(CN2CCNC3=CCCC[C@@H]32)c1Cl ZINC001237219243 1131072581 /nfs/dbraw/zinc/07/25/81/1131072581.db2.gz MAQLLWMUPCXLGL-HNNXBMFYSA-N 0 1 294.801 3.629 20 0 CHADMN Cc1ccccc1[C@H](NCc1cnc(Cl)cn1)C1CC1 ZINC000799157765 1131073084 /nfs/dbraw/zinc/07/30/84/1131073084.db2.gz BFYFPRFBZBMCEF-MRXNPFEDSA-N 0 1 287.794 3.679 20 0 CHADMN CN(Cc1cccnc1)Cc1ccc2nccc(Cl)c2c1 ZINC001237267123 1131074290 /nfs/dbraw/zinc/07/42/90/1131074290.db2.gz JBZHGEPIYGEWMH-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN Fc1cc(CN2CCC3(CCCOC3)CC2)ccc1Cl ZINC001137654309 1131074849 /nfs/dbraw/zinc/07/48/49/1131074849.db2.gz JTIKVTPZQXGHNV-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN COc1cc(CN(C)Cc2ccncc2)ccc1C(F)F ZINC001237276114 1131076085 /nfs/dbraw/zinc/07/60/85/1131076085.db2.gz KBXGBNKNGIHBNY-UHFFFAOYSA-N 0 1 292.329 3.660 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CC[C@@H](c2ccccn2)C1 ZINC000799193681 1131076184 /nfs/dbraw/zinc/07/61/84/1131076184.db2.gz QERNRFLCXYTFLG-QWHCGFSZSA-N 0 1 288.341 3.910 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1ccncc1C(F)(F)F ZINC001237289930 1131079011 /nfs/dbraw/zinc/07/90/11/1131079011.db2.gz IFHCFUVLZNYWFO-WDEREUQCSA-N 0 1 272.314 3.721 20 0 CHADMN C[C@H]1CCCCCN1Cc1ccncc1C(F)(F)F ZINC001237290563 1131079576 /nfs/dbraw/zinc/07/95/76/1131079576.db2.gz KVLYDNFFIKCRES-NSHDSACASA-N 0 1 272.314 3.865 20 0 CHADMN C[C@@H]1COCC[C@@H]1Nc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001170822448 1131086069 /nfs/dbraw/zinc/08/60/69/1131086069.db2.gz BEWITXVRVJCFQQ-ABAIWWIYSA-N 0 1 281.359 3.553 20 0 CHADMN CCCCCC[C@@H](C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000816406838 1131086606 /nfs/dbraw/zinc/08/66/06/1131086606.db2.gz DWZAEAQRZUBCOC-GFCCVEGCSA-N 0 1 295.427 3.752 20 0 CHADMN CCCCCC[C@@H](C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000816406838 1131086610 /nfs/dbraw/zinc/08/66/10/1131086610.db2.gz DWZAEAQRZUBCOC-GFCCVEGCSA-N 0 1 295.427 3.752 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2cnccc2Br)CC1 ZINC001237394648 1131093935 /nfs/dbraw/zinc/09/39/35/1131093935.db2.gz CDBBYWICLZUIKG-AULYBMBSSA-N 0 1 297.240 3.855 20 0 CHADMN COc1ccc2c(c1)[nH]nc2CN1CC[C@H]2CCCC[C@@H]2C1 ZINC001237398033 1131094633 /nfs/dbraw/zinc/09/46/33/1131094633.db2.gz OFHQGQBJQYOHFE-ZIAGYGMSSA-N 0 1 299.418 3.584 20 0 CHADMN COc1ccc(-c2cc(O)c(F)c(F)c2F)cc1C ZINC001245636831 1131095167 /nfs/dbraw/zinc/09/51/67/1131095167.db2.gz ABNRCSGEJKNPPF-UHFFFAOYSA-N 0 1 268.234 3.794 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1Cc1cc2ccccn2n1 ZINC001237448184 1131099553 /nfs/dbraw/zinc/09/95/53/1131099553.db2.gz VPCQXDGBDOOGLY-IBGZPJMESA-N 0 1 291.398 3.980 20 0 CHADMN CC(C)c1cccc(CN2CCC[C@H]2c2cnccn2)c1 ZINC001237461767 1131100819 /nfs/dbraw/zinc/10/08/19/1131100819.db2.gz KCOGRTZEXCMHSZ-SFHVURJKSA-N 0 1 281.403 3.937 20 0 CHADMN CC(C)c1cccc(CN2CC3(C2)C[C@H](F)CS3)c1 ZINC001237462496 1131101103 /nfs/dbraw/zinc/10/11/03/1131101103.db2.gz MCSHMNUKHWRUJI-HNNXBMFYSA-N 0 1 279.424 3.839 20 0 CHADMN FC(F)[C@@H]1CCCN(Cc2c(Cl)[nH]c3cnccc32)C1 ZINC001237460210 1131101499 /nfs/dbraw/zinc/10/14/99/1131101499.db2.gz DEUNTDCBTOIMCZ-SECBINFHSA-N 0 1 299.752 3.693 20 0 CHADMN CC(C)c1cccc(CN2CCO[C@@H](C(C)C)C2)c1 ZINC001237460716 1131101703 /nfs/dbraw/zinc/10/17/03/1131101703.db2.gz WTKPAHDDUJQNCS-QGZVFWFLSA-N 0 1 261.409 3.667 20 0 CHADMN COc1c(C)cccc1CN1CCC[C@H]1c1ccccn1 ZINC001237509788 1131107172 /nfs/dbraw/zinc/10/71/72/1131107172.db2.gz CJVHCVLGHCQGED-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN C[C@@H]1CCN(Cc2cccc3c(F)cccc23)CCC1=O ZINC001237517202 1131107656 /nfs/dbraw/zinc/10/76/56/1131107656.db2.gz BBLAHDKICLXRGB-CYBMUJFWSA-N 0 1 285.362 3.780 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1cccc2c(F)cccc12 ZINC001237521148 1131109859 /nfs/dbraw/zinc/10/98/59/1131109859.db2.gz IGSRBQCPOONKAQ-DGCLKSJQSA-N 0 1 261.315 3.911 20 0 CHADMN C[N@H+](Cc1cc(Cl)nc(Cl)c1[O-])C[C@@H]1CC1(C)C ZINC001237537660 1131112280 /nfs/dbraw/zinc/11/22/80/1131112280.db2.gz KGHFEXHCAHMJTD-VIFPVBQESA-N 0 1 289.206 3.572 20 0 CHADMN Cc1sccc1CN1CCN(c2ccc(C)cc2)CC1 ZINC000816567950 1131113399 /nfs/dbraw/zinc/11/33/99/1131113399.db2.gz QDVQRKILSWTJCO-UHFFFAOYSA-N 0 1 286.444 3.687 20 0 CHADMN Cc1ncc(CN2CCC[C@@H]2C(C)C)cc1Br ZINC001237559285 1131113492 /nfs/dbraw/zinc/11/34/92/1131113492.db2.gz XVICOHIPAZOZHQ-CQSZACIVSA-N 0 1 297.240 3.773 20 0 CHADMN COc1ccc(OC)c(CN(C)C2CCCCC2)c1F ZINC001237568430 1131114259 /nfs/dbraw/zinc/11/42/59/1131114259.db2.gz JNJQZCXDMWSUNL-UHFFFAOYSA-N 0 1 281.371 3.607 20 0 CHADMN Cc1c(CN2C[C@H](F)C[C@H]2CO)cccc1-c1ccccc1 ZINC001237580841 1131115855 /nfs/dbraw/zinc/11/58/55/1131115855.db2.gz KKTILAYRVXZMKB-MSOLQXFVSA-N 0 1 299.389 3.567 20 0 CHADMN Cc1c(CN2CCO[C@@H](C)C2)cccc1-c1ccccc1 ZINC001237581539 1131116061 /nfs/dbraw/zinc/11/60/61/1131116061.db2.gz PKQQESCUTMNDSX-HNNXBMFYSA-N 0 1 281.399 3.883 20 0 CHADMN CCCCN(Cc1cncn1CC)Cc1ccccc1 ZINC001237592463 1131117597 /nfs/dbraw/zinc/11/75/97/1131117597.db2.gz WWWOVFJMMGZJHG-UHFFFAOYSA-N 0 1 271.408 3.705 20 0 CHADMN COc1ccc(CN2C[C@H](C)[C@@H]2C)cc1OCC(C)C ZINC000816648369 1131118328 /nfs/dbraw/zinc/11/83/28/1131118328.db2.gz JNOKNXQMUWJURL-KBPBESRZSA-N 0 1 277.408 3.570 20 0 CHADMN C[C@@H]1CN(Cc2cnc(C3CCCC3)s2)[C@H]1C ZINC000816648458 1131119093 /nfs/dbraw/zinc/11/90/93/1131119093.db2.gz KZFXHSBPESSNAS-MNOVXSKESA-N 0 1 250.411 3.641 20 0 CHADMN CC(C)N(Cc1nnc[nH]1)Cc1c(Cl)cccc1Cl ZINC001237610330 1131119732 /nfs/dbraw/zinc/11/97/32/1131119732.db2.gz IJXRMKXJIXRCPU-UHFFFAOYSA-N 0 1 299.205 3.522 20 0 CHADMN Cc1cc(CN2C[C@H](C)[C@H]2C)c(OC(F)F)cc1C ZINC000816647802 1131121316 /nfs/dbraw/zinc/12/13/16/1131121316.db2.gz YKDAHFOWTFYTJY-NWDGAFQWSA-N 0 1 269.335 3.745 20 0 CHADMN C[C@H](CSC(C)(C)C)Nc1cc2c(cn1)CCC2 ZINC000816660975 1131121889 /nfs/dbraw/zinc/12/18/89/1131121889.db2.gz XAWDVGZRWCXZML-LLVKDONJSA-N 0 1 264.438 3.902 20 0 CHADMN Cc1coc(CN2CCC[C@H](CCc3ccccc3)C2)n1 ZINC001237637520 1131122173 /nfs/dbraw/zinc/12/21/73/1131122173.db2.gz DHYTXLDVUNIMCD-QGZVFWFLSA-N 0 1 284.403 3.828 20 0 CHADMN Cc1c2cc[nH]c2ncc1-c1cc(Cl)c(O)cc1F ZINC001245670526 1131122221 /nfs/dbraw/zinc/12/22/21/1131122221.db2.gz YIFPSQNBIDEKTJ-UHFFFAOYSA-N 0 1 276.698 3.988 20 0 CHADMN Cc1coc(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)n1 ZINC001237650185 1131123352 /nfs/dbraw/zinc/12/33/52/1131123352.db2.gz UMWRRPBBRLOJHS-HNNXBMFYSA-N 0 1 288.366 3.577 20 0 CHADMN CCc1n[nH]cc1CN1CCC[C@H]1c1ccccc1Cl ZINC001237650889 1131123991 /nfs/dbraw/zinc/12/39/91/1131123991.db2.gz KLECIOQHKIKBRQ-INIZCTEOSA-N 0 1 289.810 3.963 20 0 CHADMN O=C1OCc2cc(-c3cc(Cl)c(O)cc3F)cc(F)c21 ZINC001245673914 1131124645 /nfs/dbraw/zinc/12/46/45/1131124645.db2.gz NIBZDPZCTOBKAI-UHFFFAOYSA-N 0 1 296.656 3.661 20 0 CHADMN CCCCCC(=O)Nc1nc(-c2cccc(Cl)c2)n[nH]1 ZINC001115974152 1131124853 /nfs/dbraw/zinc/12/48/53/1131124853.db2.gz HUIYOEOLQIVTPW-UHFFFAOYSA-N 0 1 292.770 3.644 20 0 CHADMN CCc1ccc(-c2n[nH]c(S[C@H](C)CC)n2)cc1 ZINC001116109032 1131129119 /nfs/dbraw/zinc/12/91/19/1131129119.db2.gz XVLGCOIHWUPVPG-SNVBAGLBSA-N 0 1 261.394 3.925 20 0 CHADMN Cc1c(F)ccc(-c2ccc3c(c2)C[N@@H+](C)CC3)c1F ZINC001245694385 1131131891 /nfs/dbraw/zinc/13/18/91/1131131891.db2.gz JKSNBSWMVKZIEV-UHFFFAOYSA-N 0 1 273.326 3.928 20 0 CHADMN COc1c(F)cc(F)cc1Nc1cccc2[nH]ncc21 ZINC001159574579 1131133859 /nfs/dbraw/zinc/13/38/59/1131133859.db2.gz HHGJQLXHFAKQNJ-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN Cc1c(Cl)cccc1CN(C)C1CC(F)(F)C1 ZINC001237731382 1131133976 /nfs/dbraw/zinc/13/39/76/1131133976.db2.gz PMOBRIFYQPHOPS-UHFFFAOYSA-N 0 1 259.727 3.878 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@@H](F)c3ccccc3)[nH]c2c1 ZINC000817017903 1131137031 /nfs/dbraw/zinc/13/70/31/1131137031.db2.gz GJRAJFBSQVWPMN-AWEZNQCLSA-N 0 1 283.306 3.521 20 0 CHADMN CN(Cc1cccc(Cl)c1)Cc1cccc2c1OCC2 ZINC001237748212 1131137555 /nfs/dbraw/zinc/13/75/55/1131137555.db2.gz CJEVNUPMVGKJQT-UHFFFAOYSA-N 0 1 287.790 3.907 20 0 CHADMN CCc1cc(Br)ccc1CN1CCC[C@H]2C[C@H]21 ZINC001237750250 1131138117 /nfs/dbraw/zinc/13/81/17/1131138117.db2.gz QEKFVRIFSPJGRU-SWLSCSKDSA-N 0 1 294.236 3.996 20 0 CHADMN Cc1c2[nH]cnc2ncc1-c1c(F)ccc(Cl)c1F ZINC001245722838 1131138148 /nfs/dbraw/zinc/13/81/48/1131138148.db2.gz VWKKVJKWHBHDJN-UHFFFAOYSA-N 0 1 279.677 3.865 20 0 CHADMN C[C@H]1CCN1Cc1cc(-c2cccc(Cl)c2)no1 ZINC001237767982 1131139404 /nfs/dbraw/zinc/13/94/04/1131139404.db2.gz SWBKNEKIBQTQMO-JTQLQIEISA-N 0 1 262.740 3.589 20 0 CHADMN COc1ccc(CN2CCC[C@@H](C)[C@@H](C)C2)c(Cl)n1 ZINC001237792358 1131141347 /nfs/dbraw/zinc/14/13/47/1131141347.db2.gz PMSOUAGHAPFBRS-NEPJUHHUSA-N 0 1 282.815 3.612 20 0 CHADMN Cc1nc(CN2CCC3(CC(F)(F)C3)CC2)ccc1F ZINC001237819409 1131144297 /nfs/dbraw/zinc/14/42/97/1131144297.db2.gz MPQZIWYTPGICAB-UHFFFAOYSA-N 0 1 284.325 3.540 20 0 CHADMN COc1cc(CN2CCC[C@@H]2c2cccn2C)ccc1F ZINC001116438248 1131145660 /nfs/dbraw/zinc/14/56/60/1131145660.db2.gz KCBCNOHKHSVTLR-MRXNPFEDSA-N 0 1 288.366 3.510 20 0 CHADMN CCOC(=O)c1ccccc1C[N@@H+](CC)Cc1ccccc1 ZINC001237879471 1131146824 /nfs/dbraw/zinc/14/68/24/1131146824.db2.gz MGWGNFYJOWWCGA-UHFFFAOYSA-N 0 1 297.398 3.885 20 0 CHADMN CCOC(=O)c1ccccc1CN(CC)Cc1ccccc1 ZINC001237879471 1131146828 /nfs/dbraw/zinc/14/68/28/1131146828.db2.gz MGWGNFYJOWWCGA-UHFFFAOYSA-N 0 1 297.398 3.885 20 0 CHADMN COc1ccoc1CN1CCC[C@@H]1c1ccc(OC)cc1 ZINC001237870809 1131147440 /nfs/dbraw/zinc/14/74/40/1131147440.db2.gz GDPRXYYPEXGKDW-OAHLLOKOSA-N 0 1 287.359 3.634 20 0 CHADMN COc1ccoc1C[N@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC001237874880 1131147802 /nfs/dbraw/zinc/14/78/02/1131147802.db2.gz PDKSRXVSZPZHJF-OAHLLOKOSA-N 0 1 287.359 3.634 20 0 CHADMN COc1ccoc1CN1CCC[C@@H]1c1cccc(OC)c1 ZINC001237874880 1131147805 /nfs/dbraw/zinc/14/78/05/1131147805.db2.gz PDKSRXVSZPZHJF-OAHLLOKOSA-N 0 1 287.359 3.634 20 0 CHADMN CN(Cc1cccnc1)Cc1ccccc1C1CCOCC1 ZINC001237899440 1131148939 /nfs/dbraw/zinc/14/89/39/1131148939.db2.gz OYSJNYIDNRLBRV-UHFFFAOYSA-N 0 1 296.414 3.608 20 0 CHADMN CCOC(=O)c1ccccc1CN(C)Cc1ccccc1C ZINC001237887685 1131149020 /nfs/dbraw/zinc/14/90/20/1131149020.db2.gz OCSQNPWKZAHEPQ-UHFFFAOYSA-N 0 1 297.398 3.804 20 0 CHADMN Cc1c(C(=O)N2CCC[C@@H](C(C)C)CC2)ccc2cncn21 ZINC001116487554 1131149951 /nfs/dbraw/zinc/14/99/51/1131149951.db2.gz UFHIFNLKMWAMHW-OAHLLOKOSA-N 0 1 299.418 3.541 20 0 CHADMN CCCOc1cc(F)ccc1CN1CC[C@]2(CC2(F)F)C1 ZINC001237906297 1131150155 /nfs/dbraw/zinc/15/01/55/1131150155.db2.gz UFBWNZABJBOWNC-HNNXBMFYSA-N 0 1 299.336 3.846 20 0 CHADMN CCOc1cc(F)cc(CN2CCC(C(F)F)CC2)c1 ZINC001237918880 1131151505 /nfs/dbraw/zinc/15/15/05/1131151505.db2.gz FTTWJYIRIMCILU-UHFFFAOYSA-N 0 1 287.325 3.702 20 0 CHADMN Cc1cc(CN2CC=C(c3cc(C)cc(C)c3)CC2)n[nH]1 ZINC001116511886 1131152590 /nfs/dbraw/zinc/15/25/90/1131152590.db2.gz DMPIBUHMMMRSEY-UHFFFAOYSA-N 0 1 281.403 3.624 20 0 CHADMN Cc1sccc1CN1CCN(c2cccc(F)c2)CC1 ZINC001237973227 1131156589 /nfs/dbraw/zinc/15/65/89/1131156589.db2.gz AYWOTOFTRIVCPT-UHFFFAOYSA-N 0 1 290.407 3.518 20 0 CHADMN CC[N@@H+](Cc1ccncc1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237990492 1131158633 /nfs/dbraw/zinc/15/86/33/1131158633.db2.gz OEFDJJOOHLQXLV-UHFFFAOYSA-N 0 1 294.757 3.602 20 0 CHADMN CCCC1CCN(Cc2ccncc2Cl)CC1 ZINC001116654766 1131159404 /nfs/dbraw/zinc/15/94/04/1131159404.db2.gz GFLJQUHELJGQDV-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1C[C@H]2CCC[C@@H](C1)C2O ZINC001116673769 1131160564 /nfs/dbraw/zinc/16/05/64/1131160564.db2.gz LUPOLOIGKORVOY-HUOYYHSISA-N 0 1 297.801 3.633 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC3(CC3)C2)c1F ZINC001138030349 1131163201 /nfs/dbraw/zinc/16/32/01/1131163201.db2.gz BIFJJSGKEOTNCR-UHFFFAOYSA-N 0 1 253.748 3.773 20 0 CHADMN Cc1cc(CN[C@H](CC(F)(F)F)c2ccccc2C)[nH]n1 ZINC001116800881 1131164553 /nfs/dbraw/zinc/16/45/53/1131164553.db2.gz LDJHSFOFQIYDLO-CQSZACIVSA-N 0 1 297.324 3.810 20 0 CHADMN CCO[C@H](C)c1noc(CNC(C)(C)C2CCCCC2)n1 ZINC001116823064 1131165409 /nfs/dbraw/zinc/16/54/09/1131165409.db2.gz XNLZGTJZGJCWFO-GFCCVEGCSA-N 0 1 295.427 3.616 20 0 CHADMN CCN(Cc1cc(F)cc(Br)c1F)C(C)C ZINC001238077394 1131168352 /nfs/dbraw/zinc/16/83/52/1131168352.db2.gz WXYCGJYUITWEQP-UHFFFAOYSA-N 0 1 292.167 3.958 20 0 CHADMN CO[C@@H]1CCCN(Cc2cc(C)c(Cl)c(C)c2)C1 ZINC001238088670 1131169542 /nfs/dbraw/zinc/16/95/42/1131169542.db2.gz JBZWCPKVXWEACU-CQSZACIVSA-N 0 1 267.800 3.568 20 0 CHADMN Cc1cc(CN2CC[C@@H]3CCCO[C@H]3C2)cc(C)c1Cl ZINC001238091019 1131169822 /nfs/dbraw/zinc/16/98/22/1131169822.db2.gz VEVGLMYCNBVTHG-HOTGVXAUSA-N 0 1 293.838 3.958 20 0 CHADMN Cc1ccc(O)cc1C[N@H+]1CCc2c(C)cccc2C1 ZINC001238097842 1131170523 /nfs/dbraw/zinc/17/05/23/1131170523.db2.gz XNRJYYHWCYIJMU-UHFFFAOYSA-N 0 1 267.372 3.567 20 0 CHADMN Cc1ccc(O)cc1C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC001238100366 1131170536 /nfs/dbraw/zinc/17/05/36/1131170536.db2.gz ACEQZUDVTNUKSZ-UHFFFAOYSA-N 0 1 281.399 3.994 20 0 CHADMN Cc1cc(CN2CC[C@@H]3CCCO[C@@H]3C2)cc(C)c1Cl ZINC001238091023 1131171352 /nfs/dbraw/zinc/17/13/52/1131171352.db2.gz VEVGLMYCNBVTHG-JKSUJKDBSA-N 0 1 293.838 3.958 20 0 CHADMN CCCCC[N@@H+](C)Cc1cc(Cl)c([O-])cc1F ZINC001238142050 1131174074 /nfs/dbraw/zinc/17/40/74/1131174074.db2.gz BDWVKLWCPFBHGP-UHFFFAOYSA-N 0 1 259.752 3.807 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cc1Cl ZINC001238145070 1131174233 /nfs/dbraw/zinc/17/42/33/1131174233.db2.gz BWAOMUWNYHEKRV-MNOVXSKESA-N 0 1 283.774 3.807 20 0 CHADMN [O-]c1cc(F)c(C[N@@H+]2CCC[C@@H](F)CC2)cc1Cl ZINC001238142499 1131175012 /nfs/dbraw/zinc/17/50/12/1131175012.db2.gz DYXOFQVHVQIFSU-SNVBAGLBSA-N 0 1 275.726 3.509 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCC[C@@H](F)CC2)cc1Cl ZINC001238142499 1131175016 /nfs/dbraw/zinc/17/50/16/1131175016.db2.gz DYXOFQVHVQIFSU-SNVBAGLBSA-N 0 1 275.726 3.509 20 0 CHADMN CC1(C)CN(Cc2cncc(C3CC3)c2)CCC1(F)F ZINC001238181590 1131175973 /nfs/dbraw/zinc/17/59/73/1131175973.db2.gz IYWHDVMRNABWOI-UHFFFAOYSA-N 0 1 280.362 3.826 20 0 CHADMN Cc1ncncc1CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001238175597 1131176902 /nfs/dbraw/zinc/17/69/02/1131176902.db2.gz NUPRNLMNUJXBDN-LBPRGKRZSA-N 0 1 275.783 3.631 20 0 CHADMN Cc1c(Cl)ccc(CN(C)Cc2ccccn2)c1C ZINC001238215577 1131182118 /nfs/dbraw/zinc/18/21/18/1131182118.db2.gz OBPVQQCIFNRPAC-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN FC(F)(F)[C@@H](Nc1ccc2nc[nH]c2n1)c1ccccc1 ZINC001170882664 1131187278 /nfs/dbraw/zinc/18/72/78/1131187278.db2.gz JBRYAXNPLDOQQF-LBPRGKRZSA-N 0 1 292.264 3.673 20 0 CHADMN Cc1cc(CN2CC[C@H](C)[C@](C)(O)CC2)c(F)cc1Cl ZINC001238300022 1131188806 /nfs/dbraw/zinc/18/88/06/1131188806.db2.gz OZDFZUJNRDQNER-BLLLJJGKSA-N 0 1 299.817 3.770 20 0 CHADMN COc1c(Br)cc(C)cc1CN1CC[C@H](C)C1 ZINC001238318658 1131190008 /nfs/dbraw/zinc/19/00/08/1131190008.db2.gz RKZGQXATOQBUIL-JTQLQIEISA-N 0 1 298.224 3.608 20 0 CHADMN CO[C@H]1CCN(Cc2cccc(F)c2OC(C)C)[C@@H](C)C1 ZINC001238336637 1131191145 /nfs/dbraw/zinc/19/11/45/1131191145.db2.gz NEUUNPDBPDSTFJ-ZFWWWQNUSA-N 0 1 295.398 3.612 20 0 CHADMN CC[C@H](N[C@H](C)c1cnc(C)cn1)c1ccc(F)cc1 ZINC001117683632 1131192572 /nfs/dbraw/zinc/19/25/72/1131192572.db2.gz ZTLSUNKAIZYDLL-DOMZBBRYSA-N 0 1 273.355 3.726 20 0 CHADMN COc1cc(CN2CCCCC[C@H]2C)c(Cl)cn1 ZINC001238359150 1131193293 /nfs/dbraw/zinc/19/32/93/1131193293.db2.gz ZJRUFHTXAUZBQG-LLVKDONJSA-N 0 1 268.788 3.508 20 0 CHADMN CCOc1ccc(CN2CCC[C@H](OCC)C2)c(Cl)c1 ZINC001238401453 1131196185 /nfs/dbraw/zinc/19/61/85/1131196185.db2.gz XMRLWRDZMKZKIF-HNNXBMFYSA-N 0 1 297.826 3.740 20 0 CHADMN Cc1cc(N[C@H]2CC=C(C)CC2)ccc1N1CCN(C)CC1 ZINC001117760054 1131197259 /nfs/dbraw/zinc/19/72/59/1131197259.db2.gz KLZCALNHXJUEJP-KRWDZBQOSA-N 0 1 299.462 3.658 20 0 CHADMN CCN(Cc1nc(-c2cccc(C)c2)no1)C(C)(C)C ZINC001117760836 1131197330 /nfs/dbraw/zinc/19/73/30/1131197330.db2.gz LWIHPWDCHCEIMN-UHFFFAOYSA-N 0 1 273.380 3.665 20 0 CHADMN Cc1cc(CN2CCC[C@](C)(F)CC2)ncc1Cl ZINC001238420678 1131197348 /nfs/dbraw/zinc/19/73/48/1131197348.db2.gz BHTWOHCGJCMUEJ-AWEZNQCLSA-N 0 1 270.779 3.758 20 0 CHADMN CC(C)Oc1cccc(CN2CC[C@H](OC(C)C)C2)c1F ZINC001238430594 1131200224 /nfs/dbraw/zinc/20/02/24/1131200224.db2.gz PMNTYDXXLIOSKY-HNNXBMFYSA-N 0 1 295.398 3.612 20 0 CHADMN CC(C)Oc1cc(CN2CCCOC(C)(C)C2)ccc1F ZINC001238461078 1131204627 /nfs/dbraw/zinc/20/46/27/1131204627.db2.gz UTSYYSPPDFVMEC-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN COc1c(CN2CCCC3(CCC3)C2)ccc(F)c1F ZINC001238470369 1131206341 /nfs/dbraw/zinc/20/63/41/1131206341.db2.gz SEFBGCBSSUQBBC-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN C[C@H](OC(=O)C12CCCN1CCC2)c1ccc(Cl)cc1 ZINC001118018496 1131208121 /nfs/dbraw/zinc/20/81/21/1131208121.db2.gz ZMJRDCGJXMJPRR-LBPRGKRZSA-N 0 1 293.794 3.573 20 0 CHADMN Cc1c(Cl)ccc(CN2CCC[C@](C)(O)[C@@H](C)C2)c1F ZINC001238511929 1131210622 /nfs/dbraw/zinc/21/06/22/1131210622.db2.gz JKPPSOBDDPZMSP-ZBEGNZNMSA-N 0 1 299.817 3.770 20 0 CHADMN Fc1ccc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)cc1C1CC1 ZINC001238499642 1131210711 /nfs/dbraw/zinc/21/07/11/1131210711.db2.gz URZGGAZOQYMMRM-OCCSQVGLSA-N 0 1 281.321 3.790 20 0 CHADMN CC(=O)C1CCN(Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001238511095 1131211072 /nfs/dbraw/zinc/21/10/72/1131211072.db2.gz JLIBBEFBMNTAMT-UHFFFAOYSA-N 0 1 275.367 3.504 20 0 CHADMN CC(=O)[C@@H]1CCCN(Cc2ccc(F)c(C3CC3)c2)C1 ZINC001238513072 1131211932 /nfs/dbraw/zinc/21/19/32/1131211932.db2.gz XIEWXTJJNSXMTM-OAHLLOKOSA-N 0 1 275.367 3.504 20 0 CHADMN CCCCN(C)Cc1ccc(F)c(OC(C)C)c1F ZINC001238526280 1131213985 /nfs/dbraw/zinc/21/39/85/1131213985.db2.gz BMDMJWLZXKMUCM-UHFFFAOYSA-N 0 1 271.351 3.984 20 0 CHADMN COc1cc(C)cc(F)c1CN1CCCC[C@H]1C ZINC001238585213 1131217439 /nfs/dbraw/zinc/21/74/39/1131217439.db2.gz PUQTZWKOQGLMFE-GFCCVEGCSA-N 0 1 251.345 3.517 20 0 CHADMN COc1cc(CN2CC(C)(C)C2)c(-c2ccccc2)cn1 ZINC001238594297 1131219442 /nfs/dbraw/zinc/21/94/42/1131219442.db2.gz DSHCGSWKIAASBA-UHFFFAOYSA-N 0 1 282.387 3.599 20 0 CHADMN CC[C@H]1CCCN(Cc2cnc(F)c(OC(C)C)c2)C1 ZINC001238605384 1131220985 /nfs/dbraw/zinc/22/09/85/1131220985.db2.gz ZNUWSZOZBYZRNA-ZDUSSCGKSA-N 0 1 280.387 3.630 20 0 CHADMN Cc1cc(CN2CCSCC2)cnc1-c1ccccc1 ZINC001238610072 1131221431 /nfs/dbraw/zinc/22/14/31/1131221431.db2.gz UTJWVLDIYBJDAA-UHFFFAOYSA-N 0 1 284.428 3.606 20 0 CHADMN CC(C)Oc1cc(CN2CCC23CCCCC3)cnc1F ZINC001238602511 1131221695 /nfs/dbraw/zinc/22/16/95/1131221695.db2.gz DSLWHASFIKQPHG-UHFFFAOYSA-N 0 1 292.398 3.917 20 0 CHADMN Cc1cnc(-c2ccccc2)c(CN2CCC[C@@H]2CF)c1 ZINC001238616994 1131222495 /nfs/dbraw/zinc/22/24/95/1131222495.db2.gz QUDCSWZUMYOSMF-QGZVFWFLSA-N 0 1 284.378 3.991 20 0 CHADMN C[C@@H]1C[C@H](F)CN1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170917180 1131223074 /nfs/dbraw/zinc/22/30/74/1131223074.db2.gz FKENAMCJEYWTLS-KGYLQXTDSA-N 0 1 267.775 3.630 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1[C@H]1CCc2cccc(Cl)c2C1 ZINC001170917191 1131223642 /nfs/dbraw/zinc/22/36/42/1131223642.db2.gz FKENAMCJEYWTLS-RTXFEEFZSA-N 0 1 267.775 3.630 20 0 CHADMN CCc1nc([C@@H](C)SCCSC(C)(C)C)n[nH]1 ZINC001118414437 1131224170 /nfs/dbraw/zinc/22/41/70/1131224170.db2.gz XEKYRCPYPNBQNA-SECBINFHSA-N 0 1 273.471 3.693 20 0 CHADMN CCOc1cc(F)c(F)cc1CN(C)C1CC(C)C1 ZINC001238653399 1131226441 /nfs/dbraw/zinc/22/64/41/1131226441.db2.gz ZAOJOTRRSSRPFE-UHFFFAOYSA-N 0 1 269.335 3.594 20 0 CHADMN CN(Cc1cc(-c2ccccc2)cnc1F)CC1CC1 ZINC001238657689 1131226913 /nfs/dbraw/zinc/22/69/13/1131226913.db2.gz KFAONMDXWHINRX-UHFFFAOYSA-N 0 1 270.351 3.730 20 0 CHADMN Cc1nnc(SCc2cccc(C(C)(C)C)c2)[nH]1 ZINC001118472183 1131227362 /nfs/dbraw/zinc/22/73/62/1131227362.db2.gz BJNGSEPVMHZDRY-UHFFFAOYSA-N 0 1 261.394 3.703 20 0 CHADMN Fc1ncc(-c2ccccc2)cc1CN1CCC[C@@H]2C[C@@H]21 ZINC001238665340 1131228039 /nfs/dbraw/zinc/22/80/39/1131228039.db2.gz GNKNKEREZNPJLB-PBHICJAKSA-N 0 1 282.362 3.872 20 0 CHADMN CC[C@H]1COCCN1Cc1c(C)cc(OC(C)C)cc1C ZINC001238663889 1131228472 /nfs/dbraw/zinc/22/84/72/1131228472.db2.gz FMGKBCHGDIOGPJ-INIZCTEOSA-N 0 1 291.435 3.701 20 0 CHADMN CCSc1cccc(-c2noc([C@@H]3CCCCN3)n2)c1 ZINC000823239095 1131420138 /nfs/dbraw/zinc/42/01/38/1131420138.db2.gz HEROTTXIUMBGQD-ZDUSSCGKSA-N 0 1 289.404 3.663 20 0 CHADMN Fc1cc(F)c(F)c(CN2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC001137868294 1131425714 /nfs/dbraw/zinc/42/57/14/1131425714.db2.gz HFXDWVPTNHOCCG-WDEREUQCSA-N 0 1 269.310 3.726 20 0 CHADMN C[C@H](C1CC1)N(Cc1ccnc(Cl)c1F)C1CC1 ZINC000823404045 1131425994 /nfs/dbraw/zinc/42/59/94/1131425994.db2.gz KKGYQQXRBFZOKH-SECBINFHSA-N 0 1 268.763 3.637 20 0 CHADMN Cc1ccc(C[C@@H](C)N(C)Cc2cc(F)ncc2F)cc1 ZINC000823459808 1131427815 /nfs/dbraw/zinc/42/78/15/1131427815.db2.gz YNQQVEAIFHSQLH-CYBMUJFWSA-N 0 1 290.357 3.731 20 0 CHADMN Fc1ccc(CNC2(c3cccc(F)c3)CCC2)nc1 ZINC000829707209 1131430285 /nfs/dbraw/zinc/43/02/85/1131430285.db2.gz WWOHASWDGKRHEA-UHFFFAOYSA-N 0 1 274.314 3.529 20 0 CHADMN CCc1ccc([C@H](C)NCc2cc(C3CC3)nn2C)cc1 ZINC000823585080 1131432637 /nfs/dbraw/zinc/43/26/37/1131432637.db2.gz UILOYKAJRKVSAE-ZDUSSCGKSA-N 0 1 283.419 3.711 20 0 CHADMN CCC(C)(C)c1ccccc1C(=O)N(C)Cc1cn[nH]c1C ZINC000823634589 1131434827 /nfs/dbraw/zinc/43/48/27/1131434827.db2.gz LIEWILGVYXUMEO-UHFFFAOYSA-N 0 1 299.418 3.678 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3Cc3cscn3)[nH]c2c1 ZINC000829859480 1131436743 /nfs/dbraw/zinc/43/67/43/1131436743.db2.gz SSROUMONGXCLKV-OAHLLOKOSA-N 0 1 298.415 3.665 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1c(F)ccc(F)c1F ZINC001137933660 1131438116 /nfs/dbraw/zinc/43/81/16/1131438116.db2.gz PDMDGRKPJLDXIM-ZDUSSCGKSA-N 0 1 257.299 3.724 20 0 CHADMN CN(Cc1ccc(F)c(F)c1F)C[C@@H]1CC1(C)C ZINC001137940066 1131439271 /nfs/dbraw/zinc/43/92/71/1131439271.db2.gz DMZHBOAZEPPIAF-JTQLQIEISA-N 0 1 257.299 3.582 20 0 CHADMN CN(Cc1ccc(F)c(F)c1F)C[C@H]1CC1(C)C ZINC001137940067 1131439300 /nfs/dbraw/zinc/43/93/00/1131439300.db2.gz DMZHBOAZEPPIAF-SNVBAGLBSA-N 0 1 257.299 3.582 20 0 CHADMN Fc1ccc(CN2C[C@H]3CCCC[C@@H]3C2)c(F)c1F ZINC001137935880 1131439412 /nfs/dbraw/zinc/43/94/12/1131439412.db2.gz OLFGJLLGWZBASQ-GHMZBOCLSA-N 0 1 269.310 3.726 20 0 CHADMN COC[C@@]12CCC[C@@H]1CN(Cc1cccc(Cl)c1F)C2 ZINC001137960275 1131441847 /nfs/dbraw/zinc/44/18/47/1131441847.db2.gz FXOBFJFJWJIOLZ-CJNGLKHVSA-N 0 1 297.801 3.728 20 0 CHADMN COc1cc(C)ccc1CNCc1c(C)cccc1F ZINC000823949521 1131447210 /nfs/dbraw/zinc/44/72/10/1131447210.db2.gz KLXPNGHFWNFKQB-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN C[C@H](C(=O)Nc1cccc2c1CN(C1CC1)C2)C1CCC1 ZINC001137992595 1131447980 /nfs/dbraw/zinc/44/79/80/1131447980.db2.gz CPEYEHOLEZNXON-LBPRGKRZSA-N 0 1 284.403 3.539 20 0 CHADMN COc1ccc(F)c(CN(C)CCc2cccc(F)c2)c1 ZINC001137997814 1131448813 /nfs/dbraw/zinc/44/88/13/1131448813.db2.gz DKQFZAIZYAJIQK-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN Cc1cccc(F)c1CNCc1ccc(C(C)(C)O)cc1 ZINC000830278718 1131449769 /nfs/dbraw/zinc/44/97/69/1131449769.db2.gz LRADARXCTLLKRQ-UHFFFAOYSA-N 0 1 287.378 3.651 20 0 CHADMN COC(=O)[C@@H]1CCCCN1Cc1ccc(C)c2ccccc12 ZINC001138014530 1131450962 /nfs/dbraw/zinc/45/09/62/1131450962.db2.gz RJRYQOLKISWBGO-SFHVURJKSA-N 0 1 297.398 3.676 20 0 CHADMN COC(=O)[C@H](C(C)C)N(C)Cc1ccc(C)c2ccccc12 ZINC001138018086 1131451782 /nfs/dbraw/zinc/45/17/82/1131451782.db2.gz JCSNKJYRWQNKAL-SFHVURJKSA-N 0 1 299.414 3.778 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@H](CF)C2)c1Cl ZINC001138027987 1131454778 /nfs/dbraw/zinc/45/47/78/1131454778.db2.gz RPFYVOSIGBKOQD-LLVKDONJSA-N 0 1 273.754 3.969 20 0 CHADMN Clc1cccc2c1CC[C@@H](N1CCc3ncccc3C1)C2 ZINC001171049147 1131458110 /nfs/dbraw/zinc/45/81/10/1131458110.db2.gz FLYPEUZHBWBIQN-OAHLLOKOSA-N 0 1 298.817 3.651 20 0 CHADMN Oc1ccc(CN2CCc3occc3C2)c2ccccc12 ZINC001138062397 1131460447 /nfs/dbraw/zinc/46/04/47/1131460447.db2.gz KRNOJMSSTCNCFH-UHFFFAOYSA-N 0 1 279.339 3.697 20 0 CHADMN COCC1CCN(Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001136856429 1131462636 /nfs/dbraw/zinc/46/26/36/1131462636.db2.gz IWICKIVCCXGILL-UHFFFAOYSA-N 0 1 292.810 3.680 20 0 CHADMN Clc1cccc2[nH]c(CN3CCC4(CC4)C3)cc21 ZINC001136857566 1131463765 /nfs/dbraw/zinc/46/37/65/1131463765.db2.gz CSLWRTSHVMDUCX-UHFFFAOYSA-N 0 1 260.768 3.807 20 0 CHADMN Cc1ccc2nc(CNC(=O)O[C@H](C)CC(C)C)[nH]c2c1 ZINC000830760212 1131466965 /nfs/dbraw/zinc/46/69/65/1131466965.db2.gz RWGXOSJXHQMIHC-GFCCVEGCSA-N 0 1 289.379 3.532 20 0 CHADMN CC(=O)c1ccc([C@H](C)Nc2ccc3nc(C)[nH]c3n2)cc1 ZINC001171055925 1131469448 /nfs/dbraw/zinc/46/94/48/1131469448.db2.gz JNKVRLXJHICIFX-JTQLQIEISA-N 0 1 294.358 3.642 20 0 CHADMN c1nc(CN2CCC(c3ccc4ccccc4c3)CC2)c[nH]1 ZINC001136871377 1131469521 /nfs/dbraw/zinc/46/95/21/1131469521.db2.gz FVBQJZHNJXVVAK-UHFFFAOYSA-N 0 1 291.398 3.943 20 0 CHADMN C[C@@H]1CN(CC[C@@H]2CC2(Cl)Cl)CC2(CCCC2)O1 ZINC000830860161 1131471027 /nfs/dbraw/zinc/47/10/27/1131471027.db2.gz KCARLTIDXDXBKT-VXGBXAGGSA-N 0 1 292.250 3.604 20 0 CHADMN Cc1ccn2c(CN3CCC[C@@H]4CCCC[C@@H]43)cnc2c1 ZINC001136890359 1131472317 /nfs/dbraw/zinc/47/23/17/1131472317.db2.gz ZJARWSZAOZDAPW-RDJZCZTQSA-N 0 1 283.419 3.797 20 0 CHADMN CN(Cc1ccc(N2CCCCC2)o1)Cc1ccccc1 ZINC001138171161 1131474823 /nfs/dbraw/zinc/47/48/23/1131474823.db2.gz TZDOSJLWQROTAA-UHFFFAOYSA-N 0 1 284.403 3.902 20 0 CHADMN FC(F)[C@@H]1CCCN(Cc2ccc(N3CCCCC3)o2)C1 ZINC001138177343 1131475372 /nfs/dbraw/zinc/47/53/72/1131475372.db2.gz QAAPLXGIRSLKRQ-CYBMUJFWSA-N 0 1 298.377 3.747 20 0 CHADMN CCN(CCc1ccccn1)Cc1ccc(F)c(F)c1F ZINC000824610903 1131476642 /nfs/dbraw/zinc/47/66/42/1131476642.db2.gz SMSOKHUOUYFFTB-UHFFFAOYSA-N 0 1 294.320 3.564 20 0 CHADMN Cc1csc(CNCc2c(Cl)n(C)nc2C(C)C)c1 ZINC000824751280 1131484148 /nfs/dbraw/zinc/48/41/48/1131484148.db2.gz TUERNQYGBIJCNA-UHFFFAOYSA-N 0 1 297.855 3.857 20 0 CHADMN CC(C)(C)Oc1cccc(CN2CCC(C)(F)CC2)n1 ZINC001138277879 1131484683 /nfs/dbraw/zinc/48/46/83/1131484683.db2.gz WROINWASFLWMCR-UHFFFAOYSA-N 0 1 280.387 3.583 20 0 CHADMN Cc1csc(CNCc2ccnc(Cl)c2F)c1 ZINC000824758324 1131485184 /nfs/dbraw/zinc/48/51/84/1131485184.db2.gz TXSIIDMBGDKCPD-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN Cc1cccn2c(CN3CC[C@@H](C)C(F)(F)CC3)cnc12 ZINC001136958142 1131488634 /nfs/dbraw/zinc/48/86/34/1131488634.db2.gz ADNDEQPFNWYYAO-CYBMUJFWSA-N 0 1 293.361 3.510 20 0 CHADMN CCN(Cc1[nH]c2ccccc2c1C)Cc1cccnc1 ZINC001138402983 1131499672 /nfs/dbraw/zinc/49/96/72/1131499672.db2.gz WXTSFKATEJGHGT-UHFFFAOYSA-N 0 1 279.387 3.893 20 0 CHADMN Cc1ccc2[nH]c(CN3CCC(F)(F)[C@@H](C)C3)cc2c1 ZINC001138419234 1131502787 /nfs/dbraw/zinc/50/27/87/1131502787.db2.gz OATDAKBQSUSFFA-LBPRGKRZSA-N 0 1 278.346 3.953 20 0 CHADMN CCN(Cc1cc2cc(C)ccc2[nH]1)Cc1ccncc1 ZINC001138419735 1131502960 /nfs/dbraw/zinc/50/29/60/1131502960.db2.gz XYCLYGJFDPSDOQ-UHFFFAOYSA-N 0 1 279.387 3.893 20 0 CHADMN COc1c(F)cc(CN2CCCCCCC2)cc1F ZINC001138425424 1131503538 /nfs/dbraw/zinc/50/35/38/1131503538.db2.gz RUNZJIQZYGHQBA-UHFFFAOYSA-N 0 1 269.335 3.740 20 0 CHADMN Cc1cc(CN2[C@H](C)CCC2(C)C)cnc1Br ZINC001171078630 1131504087 /nfs/dbraw/zinc/50/40/87/1131504087.db2.gz NKZAHTBUYOUDRY-LLVKDONJSA-N 0 1 297.240 3.915 20 0 CHADMN COc1c(F)cc(CN2CCC3(CC(F)C3)CC2)cc1F ZINC001138422038 1131504158 /nfs/dbraw/zinc/50/41/58/1131504158.db2.gz YALMFUQNHVVSJP-UHFFFAOYSA-N 0 1 299.336 3.688 20 0 CHADMN CCOc1ccc(CN2CCC[C@@](C)(F)C2)c(C)c1 ZINC001138430521 1131504833 /nfs/dbraw/zinc/50/48/33/1131504833.db2.gz AUFYMFYPPLAIQM-MRXNPFEDSA-N 0 1 265.372 3.718 20 0 CHADMN CCOc1ccc2ccccc2c1CN1CCCC12COC2 ZINC001138444556 1131507282 /nfs/dbraw/zinc/50/72/82/1131507282.db2.gz WWIYKMOGJBXAKB-UHFFFAOYSA-N 0 1 297.398 3.603 20 0 CHADMN Cc1c2ccccc2sc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC001138458836 1131507932 /nfs/dbraw/zinc/50/79/32/1131507932.db2.gz KLVUEHVECFHZNO-BETUJISGSA-N 0 1 273.401 3.573 20 0 CHADMN CC[N@@H+]1CCN(Cc2sc3ccccc3c2C)[C@H](C)C1 ZINC001138461474 1131508804 /nfs/dbraw/zinc/50/88/04/1131508804.db2.gz HFAXOHSYKDKBRQ-CYBMUJFWSA-N 0 1 288.460 3.736 20 0 CHADMN CN(Cc1ccc2nc[nH]c2c1)[C@@H](C1CCC1)C(F)(F)F ZINC001137047700 1131514993 /nfs/dbraw/zinc/51/49/93/1131514993.db2.gz HGORSZHFKGQFTD-AWEZNQCLSA-N 0 1 297.324 3.726 20 0 CHADMN CCC[C@H](C)C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831904608 1131518494 /nfs/dbraw/zinc/51/84/94/1131518494.db2.gz FWLWPICUZPJCNZ-KBPBESRZSA-N 0 1 291.439 3.675 20 0 CHADMN CCC(C)(C)C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831911600 1131519551 /nfs/dbraw/zinc/51/95/51/1131519551.db2.gz VANKHKMGJZFOAW-CYBMUJFWSA-N 0 1 291.439 3.675 20 0 CHADMN Cc1cnc(CN2C[C@H](C)C[C@H](C)C2)cc1Br ZINC001143663478 1131521726 /nfs/dbraw/zinc/52/17/26/1131521726.db2.gz XLKKKZXEDDTZFI-PHIMTYICSA-N 0 1 297.240 3.630 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C=CC3CCCC3)c2C)o1 ZINC000843905687 1131522121 /nfs/dbraw/zinc/52/21/21/1131522121.db2.gz ARASEWZFPCFBQB-CSKARUKUSA-N 0 1 299.374 3.971 20 0 CHADMN Cc1cnc(CN2CCCCC[C@@H]2C)cc1Br ZINC001143660737 1131522188 /nfs/dbraw/zinc/52/21/88/1131522188.db2.gz DPMRFIBQYSGRBU-LBPRGKRZSA-N 0 1 297.240 3.917 20 0 CHADMN CCN(C)Cc1cc(Cl)ccc1OC(F)(F)F ZINC001143701116 1131524516 /nfs/dbraw/zinc/52/45/16/1131524516.db2.gz SVWHJOUNZDDNQX-UHFFFAOYSA-N 0 1 267.678 3.690 20 0 CHADMN CO[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2Cl)C1 ZINC001143709316 1131526399 /nfs/dbraw/zinc/52/63/99/1131526399.db2.gz BZICIMYCUGFILC-NSHDSACASA-N 0 1 293.716 3.580 20 0 CHADMN Cc1c(F)cc(F)cc1CN1CCC(OC(C)C)CC1 ZINC001143764582 1131529798 /nfs/dbraw/zinc/52/97/98/1131529798.db2.gz ULVVKTGHZYZBBE-UHFFFAOYSA-N 0 1 283.362 3.663 20 0 CHADMN COC(=O)c1cccc([C@H](C)Nc2nc(C)ccc2C)c1 ZINC001171101891 1131531856 /nfs/dbraw/zinc/53/18/56/1131531856.db2.gz IUSPXYLUYYZFJU-ZDUSSCGKSA-N 0 1 284.359 3.658 20 0 CHADMN CCN(CC)Cc1ccc(OC(F)(F)F)cc1F ZINC001143782292 1131533799 /nfs/dbraw/zinc/53/37/99/1131533799.db2.gz JHIUMYHRYUDVHB-UHFFFAOYSA-N 0 1 265.250 3.566 20 0 CHADMN Fc1ccc(-c2ccc(CN3CCCC34COC4)cc2)cc1 ZINC001138682855 1131535803 /nfs/dbraw/zinc/53/58/03/1131535803.db2.gz CTJWFAKARKDIRA-UHFFFAOYSA-N 0 1 297.373 3.858 20 0 CHADMN CCOc1c(Cl)ccc(CN(C)C(C)C)c1F ZINC001143824493 1131536367 /nfs/dbraw/zinc/53/63/67/1131536367.db2.gz GKVGSUGJUOUKGR-UHFFFAOYSA-N 0 1 259.752 3.718 20 0 CHADMN Clc1[nH]c2ccccc2c1CN1CC2(CCC2)C1 ZINC001138686807 1131536900 /nfs/dbraw/zinc/53/69/00/1131536900.db2.gz SBYNFQAEDJGHBC-UHFFFAOYSA-N 0 1 260.768 3.807 20 0 CHADMN CNc1ncccc1CN(C)Cc1cccc2ccccc21 ZINC001138692401 1131537710 /nfs/dbraw/zinc/53/77/10/1131537710.db2.gz IDYYPVCLHYSOFW-UHFFFAOYSA-N 0 1 291.398 3.909 20 0 CHADMN COc1c(F)cc(CN2C[C@H]3CCC[C@@H]3C2)cc1Cl ZINC001143840208 1131537985 /nfs/dbraw/zinc/53/79/85/1131537985.db2.gz VWLXZNAKSAFUIH-VXGBXAGGSA-N 0 1 283.774 3.720 20 0 CHADMN CSc1ncc(CN2CCC[C@H](c3ccccc3)C2)cn1 ZINC001138705523 1131538802 /nfs/dbraw/zinc/53/88/02/1131538802.db2.gz TVFKWHLNZYFBRF-INIZCTEOSA-N 0 1 299.443 3.578 20 0 CHADMN Cc1cccc(Cl)c1CN1CC[C@H]2CCCO[C@H]2C1 ZINC001138720809 1131541508 /nfs/dbraw/zinc/54/15/08/1131541508.db2.gz CDNBAWUGKMYYIH-CJNGLKHVSA-N 0 1 279.811 3.649 20 0 CHADMN COc1cc(C)c(CN2CC[C@@](C)(F)[C@H](F)C2)c(C)c1C ZINC001138725589 1131542388 /nfs/dbraw/zinc/54/23/88/1131542388.db2.gz KQMMFSMWDMPQDH-IAGOWNOFSA-N 0 1 297.389 3.892 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1ccnc(Cl)c1 ZINC001138820765 1131552090 /nfs/dbraw/zinc/55/20/90/1131552090.db2.gz ODQCRDAYMYRVBN-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN COc1ccc(CN2CCCCC[C@H]2C)c(F)c1F ZINC001143910151 1131552679 /nfs/dbraw/zinc/55/26/79/1131552679.db2.gz DJZSIRTZCZYVOE-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN FC(F)(F)[C@H]1CCN(Cc2ccc3occc3c2)C1 ZINC001138825385 1131553969 /nfs/dbraw/zinc/55/39/69/1131553969.db2.gz YEEQAWAJDICWAM-LBPRGKRZSA-N 0 1 269.266 3.817 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c2c1cccc2Cl ZINC001138832901 1131554530 /nfs/dbraw/zinc/55/45/30/1131554530.db2.gz ULDLNGFRTRFQSV-TXEJJXNPSA-N 0 1 288.778 3.517 20 0 CHADMN CCN(Cc1ccccc1)Cc1cnc2ccccc2n1 ZINC001138863230 1131555660 /nfs/dbraw/zinc/55/56/60/1131555660.db2.gz AOEYUNSMJHIKHF-UHFFFAOYSA-N 0 1 277.371 3.652 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H]3CCC[C@H]3C2)cs1 ZINC001138883533 1131556528 /nfs/dbraw/zinc/55/65/28/1131556528.db2.gz PVMGVCVODWBEGM-STQMWFEESA-N 0 1 264.438 3.889 20 0 CHADMN Fc1ccc(-c2n[nH]cc2CN2CCCC[C@H](F)C2)cc1 ZINC001138879251 1131557295 /nfs/dbraw/zinc/55/72/95/1131557295.db2.gz YVNBUDDPYBNADC-HNNXBMFYSA-N 0 1 291.345 3.540 20 0 CHADMN Fc1cnc(Cl)c(CN2C3CCCC2CCC3)c1 ZINC001138898620 1131559020 /nfs/dbraw/zinc/55/90/20/1131559020.db2.gz OFPNTKODRNTFIK-UHFFFAOYSA-N 0 1 268.763 3.781 20 0 CHADMN CC(C(=O)Nc1cc(Cl)c(O)cc1F)=C1CCC1 ZINC000832510913 1131561852 /nfs/dbraw/zinc/56/18/52/1131561852.db2.gz IKIZENDDZUYOEM-UHFFFAOYSA-N 0 1 269.703 3.624 20 0 CHADMN C[C@]1(F)CCCCN(Cc2c3cc[nH]c3ncc2Cl)C1 ZINC001138947398 1131563149 /nfs/dbraw/zinc/56/31/49/1131563149.db2.gz ABNBPECHQMVWGX-HNNXBMFYSA-N 0 1 295.789 3.882 20 0 CHADMN COc1ccc(F)c(CN2CCC[C@@H](C)[C@@H]2C)c1F ZINC001143977671 1131564672 /nfs/dbraw/zinc/56/46/72/1131564672.db2.gz LPXHQQANTPBAHE-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN FC1(F)C[C@]12CCCN(Cc1ccn(C3CCCC3)n1)C2 ZINC000844440886 1131565351 /nfs/dbraw/zinc/56/53/51/1131565351.db2.gz VCXCGIGVNJHYNP-HNNXBMFYSA-N 0 1 295.377 3.619 20 0 CHADMN CCC(CC)N(CC)Cc1c(F)ccc(OC)c1F ZINC001143981010 1131565980 /nfs/dbraw/zinc/56/59/80/1131565980.db2.gz WIKKTLIMKIBSNQ-UHFFFAOYSA-N 0 1 271.351 3.984 20 0 CHADMN C/C=C/C=C/C(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001144002612 1131566101 /nfs/dbraw/zinc/56/61/01/1131566101.db2.gz UXCLZGVAYPITDR-MQQKCMAXSA-N 0 1 272.131 3.770 20 0 CHADMN CC(=O)c1cccc(CN2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844444286 1131566376 /nfs/dbraw/zinc/56/63/76/1131566376.db2.gz OUXJRWLKFWKQGV-HNNXBMFYSA-N 0 1 279.330 3.510 20 0 CHADMN C[N@H+]1CCN(C(=O)CCC2CCCCC2)C[C@@H]1C(C)(C)C ZINC001144024123 1131573472 /nfs/dbraw/zinc/57/34/72/1131573472.db2.gz HPJXNPIAMXHMQL-MRXNPFEDSA-N 0 1 294.483 3.536 20 0 CHADMN CN1CCN(C(=O)CCC2CCCCC2)C[C@@H]1C(C)(C)C ZINC001144024123 1131573476 /nfs/dbraw/zinc/57/34/76/1131573476.db2.gz HPJXNPIAMXHMQL-MRXNPFEDSA-N 0 1 294.483 3.536 20 0 CHADMN c1csc(-c2ccc(CN3CC[C@@]34CCOC4)s2)c1 ZINC001139020151 1131573716 /nfs/dbraw/zinc/57/37/16/1131573716.db2.gz YHBPUGXXJFHIRY-HNNXBMFYSA-N 0 1 291.441 3.841 20 0 CHADMN Brc1ccc(-c2ccc(CN3CCC3)o2)cc1 ZINC001139030675 1131574470 /nfs/dbraw/zinc/57/44/70/1131574470.db2.gz LKUYKAQIQYRTNB-UHFFFAOYSA-N 0 1 292.176 3.915 20 0 CHADMN COc1ccc(CN2CCC3(CC3)CC2)c(Cl)c1OC ZINC001139113358 1131581938 /nfs/dbraw/zinc/58/19/38/1131581938.db2.gz HQXWBZKVDSTHML-UHFFFAOYSA-N 0 1 295.810 3.733 20 0 CHADMN CCn1ccc2c1cccc2CN1CC[C@@](C)(F)[C@H](F)C1 ZINC001139153368 1131586745 /nfs/dbraw/zinc/58/67/45/1131586745.db2.gz RBGVPOUESCLVNF-IAGOWNOFSA-N 0 1 292.373 3.933 20 0 CHADMN C[C@@H]1c2cccn2CCN1Cc1cccc2c1ccn2C ZINC001139162341 1131589119 /nfs/dbraw/zinc/58/91/19/1131589119.db2.gz QPBXBHWBHUYRNC-CQSZACIVSA-N 0 1 279.387 3.557 20 0 CHADMN Cn1ccc2c1cccc2C[N@@H+](C)Cc1ccccc1F ZINC001139159269 1131589244 /nfs/dbraw/zinc/58/92/44/1131589244.db2.gz IUMSDQKWMGDRGU-UHFFFAOYSA-N 0 1 282.362 3.949 20 0 CHADMN CN(Cc1cccc2c1ccn2C)Cc1ccccc1F ZINC001139159269 1131589248 /nfs/dbraw/zinc/58/92/48/1131589248.db2.gz IUMSDQKWMGDRGU-UHFFFAOYSA-N 0 1 282.362 3.949 20 0 CHADMN F[C@H]1CCCCN(Cc2ccc3cccnc3c2)C1 ZINC001139166616 1131590654 /nfs/dbraw/zinc/59/06/54/1131590654.db2.gz PMQYEYGUWVWRPZ-HNNXBMFYSA-N 0 1 258.340 3.559 20 0 CHADMN Cn1ccc2cc(CN3CCC(=O)[C@@H]4CCCC[C@H]43)ccc21 ZINC001139188962 1131592962 /nfs/dbraw/zinc/59/29/62/1131592962.db2.gz TXDHJLBDMHYVMS-SJLPKXTDSA-N 0 1 296.414 3.512 20 0 CHADMN Cc1cccc2[nH]cc(CN3CC4(C3)CC(F)(F)C4)c21 ZINC001139192693 1131594218 /nfs/dbraw/zinc/59/42/18/1131594218.db2.gz YJRUNEGHTWVIAS-UHFFFAOYSA-N 0 1 276.330 3.707 20 0 CHADMN Cc1cccc(CN(C)Cc2[nH]nc3ccc(F)cc32)c1 ZINC001144191578 1131595384 /nfs/dbraw/zinc/59/53/84/1131595384.db2.gz SPIOOWMHKUFPOH-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN Cc1cccc(CN(C)Cc2n[nH]c3ccc(F)cc32)c1 ZINC001144191578 1131595389 /nfs/dbraw/zinc/59/53/89/1131595389.db2.gz SPIOOWMHKUFPOH-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2ccc3ccn(C)c3c2)cn1 ZINC001139208897 1131597343 /nfs/dbraw/zinc/59/73/43/1131597343.db2.gz YZNLINIVTCEBOA-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3ccn(C)c3c2)cn1 ZINC001139208897 1131597348 /nfs/dbraw/zinc/59/73/48/1131597348.db2.gz YZNLINIVTCEBOA-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN Fc1ccc(Oc2ccccc2CN2CC=CC2)cc1 ZINC001139297786 1131600452 /nfs/dbraw/zinc/60/04/52/1131600452.db2.gz JAWBTSRZEWBPRT-UHFFFAOYSA-N 0 1 269.319 3.990 20 0 CHADMN Cc1cccc2nc(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)[nH]c21 ZINC001144287779 1131613631 /nfs/dbraw/zinc/61/36/31/1131613631.db2.gz LQWWMMIGAJYASR-FRRDWIJNSA-N 0 1 283.375 3.636 20 0 CHADMN CCc1ccc(NC(=O)Nc2cc(O)c(F)c(F)c2)cc1 ZINC001202944108 1131613925 /nfs/dbraw/zinc/61/39/25/1131613925.db2.gz FMQIMNMLRRXJRX-UHFFFAOYSA-N 0 1 292.285 3.877 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cc(Cl)ccn2)cc1 ZINC001139565531 1131616408 /nfs/dbraw/zinc/61/64/08/1131616408.db2.gz CLTWPUCSPGFSBS-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN CCc1cccc(CN2CCc3nc(C)sc3C2)c1 ZINC001144323826 1131617572 /nfs/dbraw/zinc/61/75/72/1131617572.db2.gz PDMJMPYNTZXBJD-UHFFFAOYSA-N 0 1 272.417 3.572 20 0 CHADMN C[N@@H+](Cc1cn2c(cccc2F)n1)[C@H]1CCc2ccccc21 ZINC001139572369 1131617593 /nfs/dbraw/zinc/61/75/93/1131617593.db2.gz OHRULTJGVCQVOC-INIZCTEOSA-N 0 1 295.361 3.593 20 0 CHADMN CN(Cc1cn2c(cccc2F)n1)[C@H]1CCc2ccccc21 ZINC001139572369 1131617595 /nfs/dbraw/zinc/61/75/95/1131617595.db2.gz OHRULTJGVCQVOC-INIZCTEOSA-N 0 1 295.361 3.593 20 0 CHADMN CCc1cccc(CN2CCc3c(O)cccc3C2)c1 ZINC001144318552 1131617950 /nfs/dbraw/zinc/61/79/50/1131617950.db2.gz CGRJYXPBRTXXLA-UHFFFAOYSA-N 0 1 267.372 3.513 20 0 CHADMN CCc1cccc(CN2CCC(=O)[C@H](C)C23CCCC3)c1 ZINC001144328982 1131618461 /nfs/dbraw/zinc/61/84/61/1131618461.db2.gz NLNMQCWVNFBMSE-HNNXBMFYSA-N 0 1 285.431 3.973 20 0 CHADMN CCOc1ccc(CN2CC[C@H](OC(C)C)C2)cc1Cl ZINC001139596961 1131619686 /nfs/dbraw/zinc/61/96/86/1131619686.db2.gz HCZYLZPHMHWWFN-AWEZNQCLSA-N 0 1 297.826 3.738 20 0 CHADMN CCOc1ccncc1CN(Cc1ccccc1)C(C)C ZINC001139627633 1131624712 /nfs/dbraw/zinc/62/47/12/1131624712.db2.gz VWUQBGLTFZRZTO-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN CN(Cc1ccc(-c2cccnc2)cc1)Cc1ccccn1 ZINC001139639822 1131626140 /nfs/dbraw/zinc/62/61/40/1131626140.db2.gz LEASKHQSBYQUOB-UHFFFAOYSA-N 0 1 289.382 3.776 20 0 CHADMN Cc1nc2cc(C)ccn2c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001139677588 1131627947 /nfs/dbraw/zinc/62/79/47/1131627947.db2.gz OWKYJCZQNYZSFO-CVEARBPZSA-N 0 1 283.419 3.716 20 0 CHADMN Cc1nc2cc(C)ccn2c1CN1CCC[C@H]2CCC[C@@H]21 ZINC001139677588 1131627950 /nfs/dbraw/zinc/62/79/50/1131627950.db2.gz OWKYJCZQNYZSFO-CVEARBPZSA-N 0 1 283.419 3.716 20 0 CHADMN CCCCN(Cc1cn2ccncc2n1)Cc1ccccc1 ZINC001139697922 1131630223 /nfs/dbraw/zinc/63/02/23/1131630223.db2.gz NZCWPPQZBXBBQS-UHFFFAOYSA-N 0 1 294.402 3.532 20 0 CHADMN Cc1ccc(CN2CCCC23CC3)cc1Br ZINC001139729047 1131633246 /nfs/dbraw/zinc/63/32/46/1131633246.db2.gz NSWOJJIAMQGHKD-UHFFFAOYSA-N 0 1 280.209 3.886 20 0 CHADMN CCC[C@H]1CCCCN1Cc1cc(Cl)cnc1OC ZINC001139749517 1131633987 /nfs/dbraw/zinc/63/39/87/1131633987.db2.gz CUDFJLJJWZCWEF-AWEZNQCLSA-N 0 1 282.815 3.898 20 0 CHADMN CN(Cc1cccc(O)c1)Cc1ccccc1C(F)F ZINC001139795774 1131636822 /nfs/dbraw/zinc/63/68/22/1131636822.db2.gz ORHFZPKCZTVKSC-UHFFFAOYSA-N 0 1 277.314 3.962 20 0 CHADMN Cc1nc(-c2ccccc2)sc1CN1C[C@@H](C)[C@@H](F)C1 ZINC001139820469 1131638700 /nfs/dbraw/zinc/63/87/00/1131638700.db2.gz CJXBSEKSSIKNNT-RISCZKNCSA-N 0 1 290.407 3.908 20 0 CHADMN Cc1ccc(O[C@@H]2CCCN(Cc3ccc(C)cn3)C2)cc1 ZINC001139838937 1131640203 /nfs/dbraw/zinc/64/02/03/1131640203.db2.gz XHCTUNYLQCHKDB-LJQANCHMSA-N 0 1 296.414 3.742 20 0 CHADMN Cn1c(CN2CCCCC23CC3)cc2ccccc21 ZINC001139871442 1131644198 /nfs/dbraw/zinc/64/41/98/1131644198.db2.gz FLEYWZOAFGSAHE-UHFFFAOYSA-N 0 1 254.377 3.697 20 0 CHADMN Fc1ccc(CN2CCOC[C@@H]2C2CC2)c2ccccc12 ZINC001139893124 1131649297 /nfs/dbraw/zinc/64/92/97/1131649297.db2.gz GPZOKATYSAOWIE-GOSISDBHSA-N 0 1 285.362 3.590 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1ccc(C)nc1 ZINC001139933099 1131650433 /nfs/dbraw/zinc/65/04/33/1131650433.db2.gz IIPURTPISIPXFV-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN C[C@H]1CC[C@H](C(=O)Nc2ccc(CN(C)C)c(F)c2)CC1 ZINC000845714732 1131653464 /nfs/dbraw/zinc/65/34/64/1131653464.db2.gz XHGGLIQWSLRKDL-JOCQHMNTSA-N 0 1 292.398 3.652 20 0 CHADMN CN(CCOc1ccccc1)Cc1cc2ccccc2cn1 ZINC001139997207 1131654560 /nfs/dbraw/zinc/65/45/60/1131654560.db2.gz BJHKYAAJTHFAJZ-UHFFFAOYSA-N 0 1 292.382 3.746 20 0 CHADMN Cc1cccc(NCCC[C@H]2CC2(Cl)Cl)n1 ZINC000845745778 1131655011 /nfs/dbraw/zinc/65/50/11/1131655011.db2.gz VSBCILJLGVFAPB-JTQLQIEISA-N 0 1 259.180 3.776 20 0 CHADMN CN(Cc1cnc(Cl)nc1)Cc1cccc2ccccc21 ZINC001139990444 1131655336 /nfs/dbraw/zinc/65/53/36/1131655336.db2.gz QLSLRLGYYXWBPN-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN COc1c(Cl)cccc1CN1CC[C@@](C)(CF)C1 ZINC001140057520 1131660479 /nfs/dbraw/zinc/66/04/79/1131660479.db2.gz XRHZJYJOPSVXIL-AWEZNQCLSA-N 0 1 271.763 3.530 20 0 CHADMN COc1c(Cl)cccc1CN1CCC[C@H](CF)C1 ZINC001140067736 1131661515 /nfs/dbraw/zinc/66/15/15/1131661515.db2.gz QUGBWFFFCWVRLL-LLVKDONJSA-N 0 1 271.763 3.530 20 0 CHADMN FC(F)(F)[C@@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC001140143343 1131667745 /nfs/dbraw/zinc/66/77/45/1131667745.db2.gz JMVFJCLZWTUCRV-CYBMUJFWSA-N 0 1 280.293 3.619 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1ccc(-c3ccncc3)cc1)C2 ZINC001140170956 1131671248 /nfs/dbraw/zinc/67/12/48/1131671248.db2.gz AVHHOGPVABOUNA-OALUTQOASA-N 0 1 294.398 3.502 20 0 CHADMN O=C([O-])c1ccsc1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001144677481 1131679809 /nfs/dbraw/zinc/67/98/09/1131679809.db2.gz RUSRBEKWQVTCHR-DGCLKSJQSA-N 0 1 279.405 3.601 20 0 CHADMN O=C([O-])c1ccsc1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001144677413 1131679849 /nfs/dbraw/zinc/67/98/49/1131679849.db2.gz PIOSRYGTJGNFOL-ZDUSSCGKSA-N 0 1 293.432 3.849 20 0 CHADMN C[N@@H+](CCCc1ccccc1)Cc1sccc1C(=O)[O-] ZINC001144677855 1131679924 /nfs/dbraw/zinc/67/99/24/1131679924.db2.gz FNLRTHYZBGFUTE-UHFFFAOYSA-N 0 1 289.400 3.511 20 0 CHADMN C[C@H]1CCN(Cc2sc(N3CCCCC3)nc2Cl)C1 ZINC001140289597 1131688262 /nfs/dbraw/zinc/68/82/62/1131688262.db2.gz XFKYIESLVNXHNA-NSHDSACASA-N 0 1 299.871 3.629 20 0 CHADMN COc1c(F)ccc(F)c1CN(C(C)C)C(C)C ZINC001144744779 1131699444 /nfs/dbraw/zinc/69/94/44/1131699444.db2.gz FHVSWEHGPTZXMD-UHFFFAOYSA-N 0 1 257.324 3.592 20 0 CHADMN CN(CCc1ccncc1)Cc1cc(F)c(F)cc1Cl ZINC001144727617 1131693230 /nfs/dbraw/zinc/69/32/30/1131693230.db2.gz ZBXLSVLDBDHSIO-UHFFFAOYSA-N 0 1 296.748 3.688 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2[nH]nc3ccc(C)cc32)no1 ZINC001140327948 1131697581 /nfs/dbraw/zinc/69/75/81/1131697581.db2.gz NFCWVSXKUUBARF-QGZVFWFLSA-N 0 1 296.374 3.505 20 0 CHADMN Cc1ccc2[nH]nc(CN3CCC(F)(F)C(C)(C)C3)c2c1 ZINC001140329263 1131698363 /nfs/dbraw/zinc/69/83/63/1131698363.db2.gz VAONIXSWDDIFQD-UHFFFAOYSA-N 0 1 293.361 3.739 20 0 CHADMN Cc1ccc2n[nH]c(CN3Cc4cccc(C)c4C3)c2c1 ZINC001140328993 1131699013 /nfs/dbraw/zinc/69/90/13/1131699013.db2.gz NUKBVBGOODWCLB-UHFFFAOYSA-N 0 1 277.371 3.696 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCCC[C@@H]3C(F)(F)F)c2c1 ZINC001140331175 1131699773 /nfs/dbraw/zinc/69/97/73/1131699773.db2.gz YXJDLTKLCKOMFN-CQSZACIVSA-N 0 1 297.324 3.788 20 0 CHADMN Cc1ccc(C[N@@H+](C)Cc2[nH]nc3ccc(C)cc32)cc1 ZINC001140330503 1131699884 /nfs/dbraw/zinc/69/98/84/1131699884.db2.gz CPHVOOLKBPKLOV-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN Cc1ccc(CN(C)Cc2[nH]nc3ccc(C)cc32)cc1 ZINC001140330503 1131699886 /nfs/dbraw/zinc/69/98/86/1131699886.db2.gz CPHVOOLKBPKLOV-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN C/C(=C\C[N@H+](Cc1ccc(C(C)C)cc1)C1CC1)C(=O)[O-] ZINC000846233712 1131701513 /nfs/dbraw/zinc/70/15/13/1131701513.db2.gz VKLMOMXQRREIEK-GXDHUFHOSA-N 0 1 287.403 3.805 20 0 CHADMN CC1(C)CN(Cc2cccc(-c3nccs3)c2)C1 ZINC001140335416 1131701525 /nfs/dbraw/zinc/70/15/25/1131701525.db2.gz DCVVVWNELOQGNH-UHFFFAOYSA-N 0 1 258.390 3.652 20 0 CHADMN C/C(=C/C[N@@H+](Cc1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000846237450 1131702628 /nfs/dbraw/zinc/70/26/28/1131702628.db2.gz OZGUDPPBQPNGGK-GHXNOFRVSA-N 0 1 281.783 3.581 20 0 CHADMN CSc1cc(N[C@@H]2CCCc3[nH]ncc32)ccc1C ZINC000846213963 1131704175 /nfs/dbraw/zinc/70/41/75/1131704175.db2.gz FLYVKQTUHZVUMV-CYBMUJFWSA-N 0 1 273.405 3.930 20 0 CHADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000846273695 1131705394 /nfs/dbraw/zinc/70/53/94/1131705394.db2.gz CASJORSZOYZTTE-MRXNPFEDSA-N 0 1 289.400 3.588 20 0 CHADMN C[C@@H](NCCC(C)(F)F)c1nc(Br)cs1 ZINC000834818804 1131707275 /nfs/dbraw/zinc/70/72/75/1131707275.db2.gz PEYZNFRMDYACMZ-ZCFIWIBFSA-N 0 1 299.184 3.602 20 0 CHADMN C[C@H](NCCC(C)(F)F)c1nc(Br)cs1 ZINC000834818797 1131707561 /nfs/dbraw/zinc/70/75/61/1131707561.db2.gz PEYZNFRMDYACMZ-LURJTMIESA-N 0 1 299.184 3.602 20 0 CHADMN CCCCC[C@@H](CC)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227709657 1131727644 /nfs/dbraw/zinc/72/76/44/1131727644.db2.gz FDMCIFKJBIROLB-WDEREUQCSA-N 0 1 280.368 3.511 20 0 CHADMN CCCC[C@@H](CCC)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227717578 1131728124 /nfs/dbraw/zinc/72/81/24/1131728124.db2.gz YZQKNCGVIAJONO-GHMZBOCLSA-N 0 1 280.368 3.511 20 0 CHADMN C[C@H](NCCOCC1CCCC1)c1cccnc1Cl ZINC000834908228 1131730415 /nfs/dbraw/zinc/73/04/15/1131730415.db2.gz CKYOLAIMSVGZET-LBPRGKRZSA-N 0 1 282.815 3.592 20 0 CHADMN C[C@]1(F)CCCN(Cc2cnc3ccc(Cl)cn23)CC1 ZINC001140426636 1131731838 /nfs/dbraw/zinc/73/18/38/1131731838.db2.gz XFVZYPDFAOBDNO-HNNXBMFYSA-N 0 1 295.789 3.702 20 0 CHADMN C[C@H]1CCCN(Cc2cnc3ccc(Cl)cn23)[C@H]1C ZINC001140431204 1131733157 /nfs/dbraw/zinc/73/31/57/1131733157.db2.gz JMRCRQVXOVYQDC-RYUDHWBXSA-N 0 1 277.799 3.608 20 0 CHADMN CN(Cc1ccc2c(c1)CCC2)Cc1cccc2c1OCO2 ZINC001203035975 1131735212 /nfs/dbraw/zinc/73/52/12/1131735212.db2.gz QQHQUVDERLRVNQ-UHFFFAOYSA-N 0 1 295.382 3.536 20 0 CHADMN CN(Cc1cccc(Cl)c1)CC1(Br)CC1 ZINC000846772522 1131736967 /nfs/dbraw/zinc/73/69/67/1131736967.db2.gz SUUKACREHHEKES-UHFFFAOYSA-N 0 1 288.616 3.699 20 0 CHADMN BrC1(CN2CCC[C@@H]2c2ccsc2)CC1 ZINC000846771338 1131738003 /nfs/dbraw/zinc/73/80/03/1131738003.db2.gz IKOPTWOKZHEZKG-LLVKDONJSA-N 0 1 286.238 3.813 20 0 CHADMN Fc1ccc(C2(NCc3cnc(Cl)c(F)c3)CC2)cc1 ZINC000846825981 1131739373 /nfs/dbraw/zinc/73/93/73/1131739373.db2.gz XMBILWQMVMUHLL-UHFFFAOYSA-N 0 1 294.732 3.792 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cnc(Cl)c(F)c1 ZINC000846852284 1131751369 /nfs/dbraw/zinc/75/13/69/1131751369.db2.gz XBVXFGHJEVOZEE-SNVBAGLBSA-N 0 1 293.773 3.682 20 0 CHADMN Cc1nn(C)c(Cl)c1CN(C)CCC(C)(C)C1CC1 ZINC000846881469 1131753896 /nfs/dbraw/zinc/75/38/96/1131753896.db2.gz RLHNECWJVODXCY-UHFFFAOYSA-N 0 1 283.847 3.640 20 0 CHADMN C[C@H](NCc1cnc(Cl)c(F)c1)c1ccsc1 ZINC000846893678 1131756347 /nfs/dbraw/zinc/75/63/47/1131756347.db2.gz WXEJCOBKWWBZQU-QMMMGPOBSA-N 0 1 270.760 3.786 20 0 CHADMN COc1cc(F)cc(CN2CCc3ccccc3[C@@H]2C)c1 ZINC001140477622 1131757859 /nfs/dbraw/zinc/75/78/59/1131757859.db2.gz HWGCFDYBICAJSZ-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN CC(=O)C1CCN([C@H](C)c2cccc(Cl)c2)CC1 ZINC000846948128 1131762409 /nfs/dbraw/zinc/76/24/09/1131762409.db2.gz LZQQBWSBUNVYEY-LLVKDONJSA-N 0 1 265.784 3.702 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@H]1c1ccccc1F ZINC001140506681 1131772077 /nfs/dbraw/zinc/77/20/77/1131772077.db2.gz ZYUXLEDFUDXUNH-KRWDZBQOSA-N 0 1 299.345 3.861 20 0 CHADMN FC(F)(F)Oc1ccc(CN2CCCC2)cc1Cl ZINC001140556225 1131791919 /nfs/dbraw/zinc/79/19/19/1131791919.db2.gz PKLKJPMNYZXKLQ-UHFFFAOYSA-N 0 1 279.689 3.834 20 0 CHADMN [O-]c1cccc(Cl)c1C[N@@H+]1CCc2ccsc2C1 ZINC000127070215 1131795049 /nfs/dbraw/zinc/79/50/49/1131795049.db2.gz WULFVQHXZMXCMB-UHFFFAOYSA-N 0 1 279.792 3.665 20 0 CHADMN [O-]c1cccc(Cl)c1C[N@H+]1CCc2ccsc2C1 ZINC000127070215 1131795056 /nfs/dbraw/zinc/79/50/56/1131795056.db2.gz WULFVQHXZMXCMB-UHFFFAOYSA-N 0 1 279.792 3.665 20 0 CHADMN Oc1cccc(Cl)c1CN1CCc2ccsc2C1 ZINC000127070215 1131795061 /nfs/dbraw/zinc/79/50/61/1131795061.db2.gz WULFVQHXZMXCMB-UHFFFAOYSA-N 0 1 279.792 3.665 20 0 CHADMN Cc1cccc2c1CN(Cc1ccc(O)c(C)c1)C2 ZINC001140574761 1131801916 /nfs/dbraw/zinc/80/19/16/1131801916.db2.gz PTTIEWATTZQDFE-UHFFFAOYSA-N 0 1 253.345 3.525 20 0 CHADMN O=C(Nc1c(Cl)ccc(O)c1Cl)c1ccco1 ZINC001147095671 1131810953 /nfs/dbraw/zinc/81/09/53/1131810953.db2.gz MTISXBLWOPFUIN-UHFFFAOYSA-N 0 1 272.087 3.544 20 0 CHADMN Cc1ccc(F)cc1CN1CCN(C)C[C@H]1c1ccccc1 ZINC001140588640 1131813415 /nfs/dbraw/zinc/81/34/15/1131813415.db2.gz ZYHLMCSZTRCLAY-IBGZPJMESA-N 0 1 298.405 3.623 20 0 CHADMN CC[N@H+]1CC[C@@H](Oc2ccc3ccccc3c2Cl)C1 ZINC001228252659 1131839438 /nfs/dbraw/zinc/83/94/38/1131839438.db2.gz XZWGGIBDPHKKDL-CYBMUJFWSA-N 0 1 275.779 3.966 20 0 CHADMN CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC001148387660 1131852550 /nfs/dbraw/zinc/85/25/50/1131852550.db2.gz GLJFGYMRNJNRRL-IAGOWNOFSA-N 0 1 294.483 3.584 20 0 CHADMN COc1ccc(CN2CCc3c(F)cccc3C2)c(C)c1 ZINC001140676597 1131857628 /nfs/dbraw/zinc/85/76/28/1131857628.db2.gz BITDJPNHSZHMNW-UHFFFAOYSA-N 0 1 285.362 3.701 20 0 CHADMN CCCC(=O)[C@H](CCC)Oc1ccc2nc(C)[nH]c2c1 ZINC001228325620 1131858849 /nfs/dbraw/zinc/85/88/49/1131858849.db2.gz BPJNLGOHRCNROW-INIZCTEOSA-N 0 1 274.364 3.788 20 0 CHADMN Cc1nc2ccc(OCc3cncc(OC(C)C)c3)cc2[nH]1 ZINC001228328150 1131859034 /nfs/dbraw/zinc/85/90/34/1131859034.db2.gz AYFXNWWFSYSISA-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN CCCCC[C@@H]1CCCCN1C(=O)[C@H]1CCN1C(C)(C)C ZINC001148506013 1131859459 /nfs/dbraw/zinc/85/94/59/1131859459.db2.gz RIFSDQIUJFLQRR-HZPDHXFCSA-N 0 1 294.483 3.821 20 0 CHADMN Cc1nc2ccc(OCc3ccc(OC(C)C)nc3)cc2[nH]1 ZINC001228326693 1131860290 /nfs/dbraw/zinc/86/02/90/1131860290.db2.gz KQVQTMOYBMGRDB-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN CCCCOc1ccc(O[C@H]2CCCN(C)C2)c(F)c1F ZINC001228385807 1131873775 /nfs/dbraw/zinc/87/37/75/1131873775.db2.gz MZVDJQZIKOAGKJ-LBPRGKRZSA-N 0 1 299.361 3.617 20 0 CHADMN O=c1ncc(Cl)c(O[C@H]2Cc3cccc4cccc2c34)[nH]1 ZINC001228480831 1131894438 /nfs/dbraw/zinc/89/44/38/1131894438.db2.gz PUQFAUNBPADBSY-ZDUSSCGKSA-N 0 1 298.729 3.665 20 0 CHADMN Nc1ccc(Cl)cc1CN1CC(c2ccccc2)C1 ZINC001140717957 1131894379 /nfs/dbraw/zinc/89/43/79/1131894379.db2.gz PMHXWXIEVHHMNR-UHFFFAOYSA-N 0 1 272.779 3.522 20 0 CHADMN Cc1ccc(-c2nnc(CN3CCCC4(CCC4)C3)o2)cc1 ZINC000348192304 1131896810 /nfs/dbraw/zinc/89/68/10/1131896810.db2.gz GSIMUSPNMNQZTQ-UHFFFAOYSA-N 0 1 297.402 3.811 20 0 CHADMN CC[C@@H](C)C[C@@H](CC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228508308 1131900220 /nfs/dbraw/zinc/90/02/20/1131900220.db2.gz CDXXSDRITCQYHF-RKDXNWHRSA-N 0 1 282.775 3.600 20 0 CHADMN Cc1ccc([C@H](C)NCc2nc3cc(F)ccc3n2C)cc1 ZINC000773001856 1131914200 /nfs/dbraw/zinc/91/42/00/1131914200.db2.gz QKNYVUKUUSGXGB-ZDUSSCGKSA-N 0 1 297.377 3.872 20 0 CHADMN C[C@@H](Oc1nc2cccc(Br)c2[nH]1)C1CC1 ZINC001228681398 1131932233 /nfs/dbraw/zinc/93/22/33/1131932233.db2.gz HREXPXHCSYCDRC-SSDOTTSWSA-N 0 1 281.153 3.503 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@H](C)c1ccoc1)CCC2 ZINC000773065287 1131932745 /nfs/dbraw/zinc/93/27/45/1131932745.db2.gz OOEUMMCEKIREBG-BXKDBHETSA-N 0 1 262.378 3.773 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@H](C)c1ccoc1)CCC2 ZINC000773065292 1131933283 /nfs/dbraw/zinc/93/32/83/1131933283.db2.gz OOEUMMCEKIREBG-SKDRFNHKSA-N 0 1 262.378 3.773 20 0 CHADMN Cc1cc(N(C)C)nc(NCc2cccc3sccc32)n1 ZINC001171378156 1131936078 /nfs/dbraw/zinc/93/60/78/1131936078.db2.gz VJFJGWQJPBUAOP-UHFFFAOYSA-N 0 1 298.415 3.678 20 0 CHADMN CC(C)Oc1ccc([C@H](C)NCc2cccc(F)n2)cc1 ZINC000773086427 1131940908 /nfs/dbraw/zinc/94/09/08/1131940908.db2.gz IWUJTXCILGJWQW-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN [O-]c1c(Cl)cc(C[N@H+]2C[C@H]3CC[C@@H]2C3)cc1Cl ZINC001140833344 1131941530 /nfs/dbraw/zinc/94/15/30/1131941530.db2.gz RTGVYECNVAZYDH-WCBMZHEXSA-N 0 1 272.175 3.683 20 0 CHADMN C[C@]1(CF)CC[N@H+](Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140835194 1131941684 /nfs/dbraw/zinc/94/16/84/1131941684.db2.gz OYQCJUKGLSNXQA-CYBMUJFWSA-N 0 1 292.181 3.881 20 0 CHADMN C[C@]1(CF)CC[N@@H+](Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140835194 1131941688 /nfs/dbraw/zinc/94/16/88/1131941688.db2.gz OYQCJUKGLSNXQA-CYBMUJFWSA-N 0 1 292.181 3.881 20 0 CHADMN [O-]c1c(Cl)cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1Cl ZINC001140832922 1131942565 /nfs/dbraw/zinc/94/25/65/1131942565.db2.gz MRCPVYNSKJSGCJ-AUTRQRHGSA-N 0 1 290.165 3.631 20 0 CHADMN Cc1c([C@@H](C)N[C@H](C)c2ccc[nH]2)cnn1-c1ccccc1 ZINC000773114088 1131948954 /nfs/dbraw/zinc/94/89/54/1131948954.db2.gz CSBGFWFXIJCNQT-ZIAGYGMSSA-N 0 1 294.402 3.921 20 0 CHADMN Fc1cc(CN2CCCC2)cc(F)c1C(F)(F)F ZINC001140878214 1131955861 /nfs/dbraw/zinc/95/58/61/1131955861.db2.gz RWDKJHOSQTYIQO-UHFFFAOYSA-N 0 1 265.225 3.579 20 0 CHADMN [O-]c1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c(F)c1F ZINC001140894025 1131957474 /nfs/dbraw/zinc/95/74/74/1131957474.db2.gz OCKYMUXVOMEXIC-WCQYABFASA-N 0 1 281.346 3.825 20 0 CHADMN CCC[C@H](NC)c1nc(-c2ccc(Cl)cc2C)no1 ZINC001247625244 1131962993 /nfs/dbraw/zinc/96/29/93/1131962993.db2.gz LZBMUTOIPIUJFC-LBPRGKRZSA-N 0 1 279.771 3.759 20 0 CHADMN Fc1cccc2c1CC[C@H](N[C@@H]1CCCCC1(F)F)C2 ZINC001171404912 1131971776 /nfs/dbraw/zinc/97/17/76/1131971776.db2.gz OGDXCGREUGSXNQ-SWLSCSKDSA-N 0 1 283.337 3.851 20 0 CHADMN Fc1cccc2c1CC[C@@H](N[C@@H]1CCCCC1(F)F)C2 ZINC001171404911 1131972328 /nfs/dbraw/zinc/97/23/28/1131972328.db2.gz OGDXCGREUGSXNQ-IUODEOHRSA-N 0 1 283.337 3.851 20 0 CHADMN C[N@H+]1CCc2cc(O[C@H](c3cccnc3)C3CC3)ccc2C1 ZINC001228944038 1131983691 /nfs/dbraw/zinc/98/36/91/1131983691.db2.gz KGHLXFUPTLCJJL-IBGZPJMESA-N 0 1 294.398 3.600 20 0 CHADMN C[N@H+]1CCc2cc(O[C@@H]3CCc4ccccc4C3)ccc2C1 ZINC001228944608 1131983736 /nfs/dbraw/zinc/98/37/36/1131983736.db2.gz PDRIVEWGLHSKNW-LJQANCHMSA-N 0 1 293.410 3.611 20 0 CHADMN C[N@@H+](Cc1ccc(F)cc1)Cc1ccc2cccc(O)c2n1 ZINC001141018803 1131985189 /nfs/dbraw/zinc/98/51/89/1131985189.db2.gz LJMQUGWNGHIYDV-UHFFFAOYSA-N 0 1 296.345 3.712 20 0 CHADMN CN(Cc1ccc(F)cc1)Cc1ccc2cccc(O)c2n1 ZINC001141018803 1131985193 /nfs/dbraw/zinc/98/51/93/1131985193.db2.gz LJMQUGWNGHIYDV-UHFFFAOYSA-N 0 1 296.345 3.712 20 0 CHADMN CC(C)Oc1cccc([C@H](C)NCc2ccccn2)c1 ZINC000036997367 1131988167 /nfs/dbraw/zinc/98/81/67/1131988167.db2.gz ODASEWMEACGSJL-AWEZNQCLSA-N 0 1 270.376 3.720 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccncc1)c1ccccc1OC ZINC000036995130 1131988880 /nfs/dbraw/zinc/98/88/80/1131988880.db2.gz NAECYUVITYQKEY-CZUORRHYSA-N 0 1 270.376 3.892 20 0 CHADMN C/C=C/[C@H](Oc1nnc2c[nH]ccc1-2)C1CCCCC1 ZINC001228989183 1131992992 /nfs/dbraw/zinc/99/29/92/1131992992.db2.gz FRDKKZOWAYAJMS-XCWSRWAASA-N 0 1 271.364 3.862 20 0 CHADMN c1cc2c(O[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)nnc-2c[nH]1 ZINC001228990594 1131993092 /nfs/dbraw/zinc/99/30/92/1131993092.db2.gz QZUDRMNGBYQIQY-YNEHKIRRSA-N 0 1 271.364 3.696 20 0 CHADMN Clc1ccc2c(c1)CC[C@H]2Oc1nnc2c[nH]ccc1-2 ZINC001228990907 1131993327 /nfs/dbraw/zinc/99/33/27/1131993327.db2.gz UUMKHXLLHGDPCM-CQSZACIVSA-N 0 1 285.734 3.678 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccns2)c(C)s1 ZINC000715906800 1131993568 /nfs/dbraw/zinc/99/35/68/1131993568.db2.gz GBJRALRQHPHTKI-SECBINFHSA-N 0 1 252.408 3.672 20 0 CHADMN C[C@@H](NCc1ccccc1C1CC1)c1ccns1 ZINC000715952068 1131998010 /nfs/dbraw/zinc/99/80/10/1131998010.db2.gz FZBQODUUDXPIPV-LLVKDONJSA-N 0 1 258.390 3.871 20 0 CHADMN COc1ccc2nc(Cl)c(CN3CCC[C@@H]3C)cc2c1 ZINC001141061869 1132000539 /nfs/dbraw/zinc/00/05/39/1132000539.db2.gz MXQZJQJZXHFQJB-NSHDSACASA-N 0 1 290.794 3.881 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2N[C@H](C)c1ccns1 ZINC000716021806 1132001254 /nfs/dbraw/zinc/00/12/54/1132001254.db2.gz QMRWKNGWMCTVMS-ABAIWWIYSA-N 0 1 288.416 3.880 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)c2ccns2)c1 ZINC000716046246 1132002958 /nfs/dbraw/zinc/00/29/58/1132002958.db2.gz FZOFBRFPLJGIER-QWRGUYRKSA-N 0 1 289.404 3.513 20 0 CHADMN CCCCc1nc(CN(C)CCc2cccc(F)c2)c[nH]1 ZINC001141074030 1132006143 /nfs/dbraw/zinc/00/61/43/1132006143.db2.gz UGHJDEYWKPAVRO-UHFFFAOYSA-N 0 1 289.398 3.566 20 0 CHADMN CCN(Cc1cccc(C)c1Br)C(C)C ZINC001141088931 1132010023 /nfs/dbraw/zinc/01/00/23/1132010023.db2.gz AMPIXYXOVUFYPQ-UHFFFAOYSA-N 0 1 270.214 3.988 20 0 CHADMN Clc1ccc(CCNCc2cscn2)cc1Cl ZINC000716252276 1132022049 /nfs/dbraw/zinc/02/20/49/1132022049.db2.gz APXMYASVROQAIQ-UHFFFAOYSA-N 0 1 287.215 3.782 20 0 CHADMN Cc1n[nH]c(CNCc2ccc(C(C)(C)C)s2)c1C ZINC000716454331 1132024655 /nfs/dbraw/zinc/02/46/55/1132024655.db2.gz BBCQIZFKTQOMBW-UHFFFAOYSA-N 0 1 277.437 3.675 20 0 CHADMN CSc1ccc([C@@H](C)NCc2[nH]nc(C)c2C)cc1 ZINC000716457537 1132025300 /nfs/dbraw/zinc/02/53/00/1132025300.db2.gz YULWONWLVGHGCC-GFCCVEGCSA-N 0 1 275.421 3.599 20 0 CHADMN CCN(Cc1ncc(Cl)nc1Cl)C1CCCCC1 ZINC001141132110 1132025526 /nfs/dbraw/zinc/02/55/26/1132025526.db2.gz UQIUSZUZVPXYDF-UHFFFAOYSA-N 0 1 288.222 3.938 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H]2CCC3(CCC3)CO2)c(C)s1 ZINC000716533715 1132026964 /nfs/dbraw/zinc/02/69/64/1132026964.db2.gz SJJAZSKICIBQIS-RISCZKNCSA-N 0 1 294.464 3.760 20 0 CHADMN Fc1ccc(C2CCN(Cc3ccccn3)CC2)c(F)c1 ZINC001204066417 1132031884 /nfs/dbraw/zinc/03/18/84/1132031884.db2.gz VQTUQFYQRPJFSY-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)c(F)c1 ZINC001141191241 1132039324 /nfs/dbraw/zinc/03/93/24/1132039324.db2.gz GASWTIYTCWXEDD-CYBMUJFWSA-N 0 1 275.289 3.703 20 0 CHADMN Cc1ccc(CN2CC[C@@H](F)C(F)(F)CC2)c(F)c1 ZINC001141191241 1132039330 /nfs/dbraw/zinc/03/93/30/1132039330.db2.gz GASWTIYTCWXEDD-CYBMUJFWSA-N 0 1 275.289 3.703 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)c(F)c1 ZINC001141191242 1132039495 /nfs/dbraw/zinc/03/94/95/1132039495.db2.gz GASWTIYTCWXEDD-ZDUSSCGKSA-N 0 1 275.289 3.703 20 0 CHADMN Cc1ccc(CN2CC[C@H](F)C(F)(F)CC2)c(F)c1 ZINC001141191242 1132039498 /nfs/dbraw/zinc/03/94/98/1132039498.db2.gz GASWTIYTCWXEDD-ZDUSSCGKSA-N 0 1 275.289 3.703 20 0 CHADMN Cc1ccc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c(F)c1 ZINC001141191949 1132039754 /nfs/dbraw/zinc/03/97/54/1132039754.db2.gz ZSLYEIDWZHDDNE-IBGZPJMESA-N 0 1 298.405 3.623 20 0 CHADMN Cc1ccc(CN2CCN(C)C[C@H]2c2ccccc2)c(F)c1 ZINC001141191949 1132039760 /nfs/dbraw/zinc/03/97/60/1132039760.db2.gz ZSLYEIDWZHDDNE-IBGZPJMESA-N 0 1 298.405 3.623 20 0 CHADMN Fc1cc2c(cc1F)C[C@H](N1CCCC[C@H](F)C1)CC2 ZINC001171477765 1132044558 /nfs/dbraw/zinc/04/45/58/1132044558.db2.gz UYPIKIFJZKYFHU-UONOGXRCSA-N 0 1 283.337 3.646 20 0 CHADMN C[C@H]1[C@H](c2cccc(F)c2)OCCN1CCc1ccccc1 ZINC001171480347 1132044765 /nfs/dbraw/zinc/04/47/65/1132044765.db2.gz QNYCKHZAJMREPW-HNAYVOBHSA-N 0 1 299.389 3.830 20 0 CHADMN CC1(C)CCCC[C@@H]1CC(=O)Nc1cccc2[nH]nnc21 ZINC001141215571 1132045462 /nfs/dbraw/zinc/04/54/62/1132045462.db2.gz NEUDMBRLHHWWMC-LLVKDONJSA-N 0 1 286.379 3.503 20 0 CHADMN Cc1cc2cc[nH]c2c(NC(C)(C)c2ccncc2)n1 ZINC001171513813 1132047528 /nfs/dbraw/zinc/04/75/28/1132047528.db2.gz RSZQOHPKIUHSNO-UHFFFAOYSA-N 0 1 266.348 3.614 20 0 CHADMN O=C(N[C@H]1CC[C@H](c2cccc(Cl)c2)C1)C(F)(F)F ZINC000837179758 1132048227 /nfs/dbraw/zinc/04/82/27/1132048227.db2.gz WUYBZUWAMGKOFP-ONGXEEELSA-N 0 1 291.700 3.655 20 0 CHADMN CCc1ccccc1CN1CC2(C1)CC(F)(F)CS2 ZINC001141227894 1132050908 /nfs/dbraw/zinc/05/09/08/1132050908.db2.gz OVBVENSMFNODKR-UHFFFAOYSA-N 0 1 283.387 3.576 20 0 CHADMN Cc1cc(C[N@H+](C)C2CC(F)(F)C2)ccc1Cl ZINC001141234581 1132054787 /nfs/dbraw/zinc/05/47/87/1132054787.db2.gz PVQOYQQTHNXKLZ-UHFFFAOYSA-N 0 1 259.727 3.878 20 0 CHADMN Cc1cc(CN(C)C2CC(F)(F)C2)ccc1Cl ZINC001141234581 1132054794 /nfs/dbraw/zinc/05/47/94/1132054794.db2.gz PVQOYQQTHNXKLZ-UHFFFAOYSA-N 0 1 259.727 3.878 20 0 CHADMN CCCO[C@H]1CCN(Cc2ccc(Cl)c(C)c2)C1 ZINC001141237952 1132056907 /nfs/dbraw/zinc/05/69/07/1132056907.db2.gz LAXSFZGCOASZJW-AWEZNQCLSA-N 0 1 267.800 3.649 20 0 CHADMN C[C@H]1CN(CCCc2ccccc2Cl)CC2(CCC2)O1 ZINC001171714556 1132084351 /nfs/dbraw/zinc/08/43/51/1132084351.db2.gz TXTDGRMJDXDXMO-AWEZNQCLSA-N 0 1 293.838 3.916 20 0 CHADMN Fc1cc(F)c(CN[C@@H]2Cc3cccc(F)c3C2)c(F)c1 ZINC001171777137 1132095959 /nfs/dbraw/zinc/09/59/59/1132095959.db2.gz IZVRPWUHDLHFSQ-LLVKDONJSA-N 0 1 295.279 3.500 20 0 CHADMN Cc1cn(C)nc1CN1CCC(C2CCCCC2)CC1 ZINC001171778866 1132097345 /nfs/dbraw/zinc/09/73/45/1132097345.db2.gz QVJJEKBJUBLZSC-UHFFFAOYSA-N 0 1 275.440 3.521 20 0 CHADMN CN(Cc1ccc(F)cc1F)[C@H]1Cc2cccc(F)c2C1 ZINC001171807014 1132104051 /nfs/dbraw/zinc/10/40/51/1132104051.db2.gz NKWLAPUHJDZJIO-AWEZNQCLSA-N 0 1 291.316 3.703 20 0 CHADMN Fc1cccc2c1C[C@H](N1Cc3cccc(Cl)c3C1)C2 ZINC001171808104 1132106091 /nfs/dbraw/zinc/10/60/91/1132106091.db2.gz XTDGJCFCYCOFFA-CYBMUJFWSA-N 0 1 287.765 3.962 20 0 CHADMN Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2CCC(C)(C)CC(C)(C)C2)n1 ZINC001171882143 1132108166 /nfs/dbraw/zinc/10/81/66/1132108166.db2.gz JBUJKTMJPHRVSZ-ZDUSSCGKSA-N 0 1 291.439 3.700 20 0 CHADMN Cc1cc(=O)[n-]c([C@H](C)[N@H+]2CCC(C)(C)CC(C)(C)C2)n1 ZINC001171882143 1132108168 /nfs/dbraw/zinc/10/81/68/1132108168.db2.gz JBUJKTMJPHRVSZ-ZDUSSCGKSA-N 0 1 291.439 3.700 20 0 CHADMN COc1ccc(CN2CCC[C@@H](C)[C@@H]2C)c(OC)c1Cl ZINC001248799179 1132115600 /nfs/dbraw/zinc/11/56/00/1132115600.db2.gz SPSXFWPWJDPUNO-NEPJUHHUSA-N 0 1 297.826 3.978 20 0 CHADMN CC1(C)C[C@H](NC2=CC=C[CH]2)CC[N@H+]1Cc1ccccc1 ZINC001171975050 1132117650 /nfs/dbraw/zinc/11/76/50/1132117650.db2.gz KJYZSWDAOIFLIM-GOSISDBHSA-N 0 1 281.423 3.677 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)/C(F)=C(\C)C2CC2)c1 ZINC001141416416 1132118226 /nfs/dbraw/zinc/11/82/26/1132118226.db2.gz FOKDHAMERLVROC-DHDCSXOGSA-N 0 1 291.322 3.577 20 0 CHADMN Fc1ccc(C2CCN(Cc3ccncc3)CC2)c(F)c1 ZINC001204082585 1132122293 /nfs/dbraw/zinc/12/22/93/1132122293.db2.gz WRFCUXJJIHBDOB-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN C[C@@H](Oc1ccc(F)cc1CN(C)C)c1ccncc1F ZINC001229859067 1132125298 /nfs/dbraw/zinc/12/52/98/1132125298.db2.gz WPVYXANLXHXNOL-LLVKDONJSA-N 0 1 292.329 3.561 20 0 CHADMN C[C@@H](Oc1ccc(F)cc1CN(C)C)c1ncccc1F ZINC001229858164 1132125321 /nfs/dbraw/zinc/12/53/21/1132125321.db2.gz HLAGIGIJLITKPU-LLVKDONJSA-N 0 1 292.329 3.561 20 0 CHADMN C[C@H](Oc1ccc(F)cc1CN(C)C)c1ccncc1F ZINC001229859068 1132125631 /nfs/dbraw/zinc/12/56/31/1132125631.db2.gz WPVYXANLXHXNOL-NSHDSACASA-N 0 1 292.329 3.561 20 0 CHADMN CC(=O)[C@@H](N[C@H]1CSc2ccccc2C1)c1ccccc1 ZINC001172184637 1132136552 /nfs/dbraw/zinc/13/65/52/1132136552.db2.gz OCPRAUSZINFCID-SJLPKXTDSA-N 0 1 297.423 3.623 20 0 CHADMN CCc1cc(F)c(O[C@H]2CCC[N@H+](C(C)C)C2)c(F)c1 ZINC001229968027 1132138262 /nfs/dbraw/zinc/13/82/62/1132138262.db2.gz UDIBEJQEZLOKHL-ZDUSSCGKSA-N 0 1 283.362 3.779 20 0 CHADMN CCc1cc(F)c(O[C@H]2CCCN(C(C)C)C2)c(F)c1 ZINC001229968027 1132138266 /nfs/dbraw/zinc/13/82/66/1132138266.db2.gz UDIBEJQEZLOKHL-ZDUSSCGKSA-N 0 1 283.362 3.779 20 0 CHADMN Fc1cccc(F)c1CN[C@@H]1CSc2ccccc2C1 ZINC001172193496 1132146207 /nfs/dbraw/zinc/14/62/07/1132146207.db2.gz MWRDNSZGTMIKSA-LBPRGKRZSA-N 0 1 291.366 3.771 20 0 CHADMN Cc1ccc(CN2CC[C@H](c3ccco3)C2)c(Cl)n1 ZINC000838843108 1132150348 /nfs/dbraw/zinc/15/03/48/1132150348.db2.gz ZBHKBVXPBNYGKU-LBPRGKRZSA-N 0 1 276.767 3.626 20 0 CHADMN CCCCC[C@H](NCc1cnnn1CC)c1ccccc1 ZINC000838913414 1132158058 /nfs/dbraw/zinc/15/80/58/1132158058.db2.gz ILQVYRMZYBMSRQ-KRWDZBQOSA-N 0 1 286.423 3.709 20 0 CHADMN Cc1ccc(CN(C)C[C@H]2CC=CCC2)c(Cl)n1 ZINC000838929215 1132160002 /nfs/dbraw/zinc/16/00/02/1132160002.db2.gz FAARNPVULBNCNB-ZDUSSCGKSA-N 0 1 264.800 3.832 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@H](C)COc1ccccc1 ZINC001230222149 1132161786 /nfs/dbraw/zinc/16/17/86/1132161786.db2.gz DFFQXBZWOOVWPW-CYBMUJFWSA-N 0 1 282.343 3.718 20 0 CHADMN Cc1nc2c(s1)[C@H](NCc1ccc3c(n1)CCC3)CCC2 ZINC000839005893 1132164779 /nfs/dbraw/zinc/16/47/79/1132164779.db2.gz QMYWXCHTOBEAGM-OAHLLOKOSA-N 0 1 299.443 3.502 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)N1CCOC[C@@H]1c1ccccc1 ZINC001172334945 1132173345 /nfs/dbraw/zinc/17/33/45/1132173345.db2.gz DUSXQAMUNKMTMO-SOLBZPMBSA-N 0 1 291.435 3.654 20 0 CHADMN CC[N@H+]1CCC[C@H](Oc2c(O)cccc2C(C)(C)C)C1 ZINC001230373099 1132178106 /nfs/dbraw/zinc/17/81/06/1132178106.db2.gz QLHXCJVNUXQFLP-ZDUSSCGKSA-N 0 1 277.408 3.553 20 0 CHADMN CC[C@H](C)OCC[C@H](C)N1CCO[C@H](c2ccccc2)C1 ZINC001172344114 1132179807 /nfs/dbraw/zinc/17/98/07/1132179807.db2.gz WVEMYHKVLLLMKT-BQFCYCMXSA-N 0 1 291.435 3.654 20 0 CHADMN CC[C@@H](C)OCC[C@@H](C)N1CCO[C@@H](c2ccccc2)C1 ZINC001172349655 1132181685 /nfs/dbraw/zinc/18/16/85/1132181685.db2.gz WVEMYHKVLLLMKT-JFIYKMOQSA-N 0 1 291.435 3.654 20 0 CHADMN CC(C)c1cnc(CN[C@H](C)CCCc2cccnc2)o1 ZINC000839146825 1132184993 /nfs/dbraw/zinc/18/49/93/1132184993.db2.gz WLENVVCFFOXDNF-CQSZACIVSA-N 0 1 287.407 3.694 20 0 CHADMN C[C@@H]1CN(Cc2c[nH]c3cc(Cl)ccc23)C[C@@H]1F ZINC001141579761 1132188203 /nfs/dbraw/zinc/18/82/03/1132188203.db2.gz NJQZKIUBQKXCLM-RNCFNFMXSA-N 0 1 266.747 3.611 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1c[nH]c2cc(Cl)ccc12 ZINC001141591203 1132194152 /nfs/dbraw/zinc/19/41/52/1132194152.db2.gz UFEOHDSJHAXHBK-INIZCTEOSA-N 0 1 290.794 3.765 20 0 CHADMN CC[C@@H](CC(C)C)N1Cc2cccc(C(=O)OC)c2C1 ZINC001172407034 1132198174 /nfs/dbraw/zinc/19/81/74/1132198174.db2.gz MHUSILUXMAXLHE-AWEZNQCLSA-N 0 1 275.392 3.614 20 0 CHADMN Cc1nc2cc(Nc3cnc4occc4c3)ccc2[nH]1 ZINC001213073818 1132200376 /nfs/dbraw/zinc/20/03/76/1132200376.db2.gz WSAFBEMYAIZXBQ-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN COc1cc(C(F)(F)F)ccc1C[N@H+]1CCC2(CC2)C1 ZINC001141604634 1132203137 /nfs/dbraw/zinc/20/31/37/1132203137.db2.gz HUCYXNPVYWYNNB-UHFFFAOYSA-N 0 1 285.309 3.700 20 0 CHADMN CC(C)COCC[C@@H](C)N1CCc2nc(Cl)ccc2C1 ZINC001172470847 1132224421 /nfs/dbraw/zinc/22/44/21/1132224421.db2.gz PVCFZMCPVUHKKB-CYBMUJFWSA-N 0 1 296.842 3.544 20 0 CHADMN Fc1cc(O[C@H]2CCc3ccccc32)cc2[nH]ncc21 ZINC001230931280 1132231173 /nfs/dbraw/zinc/23/11/73/1132231173.db2.gz WVMWRGIUJYEYPI-INIZCTEOSA-N 0 1 268.291 3.768 20 0 CHADMN Cc1ccc([C@@H](C)Oc2cc3[nH]ncc3c(F)c2)cn1 ZINC001230930842 1132231314 /nfs/dbraw/zinc/23/13/14/1132231314.db2.gz IWWUKVSVFBRUHR-SNVBAGLBSA-N 0 1 271.295 3.545 20 0 CHADMN CC(C)OCC[C@@H](C)NCc1nccc(Cl)c1Cl ZINC001172441745 1132234416 /nfs/dbraw/zinc/23/44/16/1132234416.db2.gz PGCMINNUGXBMQB-SNVBAGLBSA-N 0 1 291.222 3.682 20 0 CHADMN CC[C@@H]1COCCN1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001141740406 1132243688 /nfs/dbraw/zinc/24/36/88/1132243688.db2.gz ZZQMIKKDHUKXGM-GOSISDBHSA-N 0 1 293.410 3.869 20 0 CHADMN CC1(C)CN(Cc2coc3ccc(F)cc23)CC(C)(C)O1 ZINC001141857020 1132257595 /nfs/dbraw/zinc/25/75/95/1132257595.db2.gz ZNDGCPZLCRLSAL-UHFFFAOYSA-N 0 1 291.366 3.961 20 0 CHADMN Cc1nc[nH]c1-c1nc(-c2ccc3ccccc3c2)no1 ZINC001212668910 1132264885 /nfs/dbraw/zinc/26/48/85/1132264885.db2.gz XBBBOLAKIBIGNI-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN O=C(C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)c1ccc([O-])cc1 ZINC001172556361 1132267103 /nfs/dbraw/zinc/26/71/03/1132267103.db2.gz LNMKWJHHRAJLDV-SJORKVTESA-N 0 1 295.382 3.501 20 0 CHADMN CN(Cc1cc(F)c(Br)cc1F)C(C)(C)C ZINC001141914502 1132267933 /nfs/dbraw/zinc/26/79/33/1132267933.db2.gz WFTNZQXROJRJIT-UHFFFAOYSA-N 0 1 292.167 3.958 20 0 CHADMN Cc1nc2c(o1)CCN([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172564412 1132270552 /nfs/dbraw/zinc/27/05/52/1132270552.db2.gz GGKPKCKJLSCFQD-CVEARBPZSA-N 0 1 282.387 3.677 20 0 CHADMN CCCN(CC(=O)OCC)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172568861 1132272824 /nfs/dbraw/zinc/27/28/24/1132272824.db2.gz OGWUHFCGDWPKIK-SJORKVTESA-N 0 1 289.419 3.598 20 0 CHADMN CCCCCC(=O)c1ccc(O[C@@H]2CCCN(C)C2)cc1 ZINC001231257786 1132275263 /nfs/dbraw/zinc/27/52/63/1132275263.db2.gz WWGUKUXGDCUVCD-QGZVFWFLSA-N 0 1 289.419 3.923 20 0 CHADMN Oc1ccc(CN2CCC[C@H]2c2ccccc2F)cc1 ZINC001204093623 1132292553 /nfs/dbraw/zinc/29/25/53/1132292553.db2.gz ODGZFUCBOIUIKD-KRWDZBQOSA-N 0 1 271.335 3.868 20 0 CHADMN CCOCC1CCN(Cc2ccc(F)c(C)c2F)CC1 ZINC001231478755 1132298296 /nfs/dbraw/zinc/29/82/96/1132298296.db2.gz HOAVAVVKIXDYIW-UHFFFAOYSA-N 0 1 283.362 3.522 20 0 CHADMN Cc1cc(C)c(CN(C)Cc2cnc3ccccn23)cc1C ZINC001231482670 1132298400 /nfs/dbraw/zinc/29/84/00/1132298400.db2.gz OLLLAHWOPARVHO-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN Cc1cc(C)c(CN2CCc3cnccc3C2)cc1C ZINC001231482342 1132298622 /nfs/dbraw/zinc/29/86/22/1132298622.db2.gz JHXZDLRGKIPUKU-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN Cc1cc(C)c(CN2CCn3cccc3[C@H]2C)cc1C ZINC001231485915 1132300426 /nfs/dbraw/zinc/30/04/26/1132300426.db2.gz PALVUUMIQIAXPY-MRXNPFEDSA-N 0 1 268.404 3.990 20 0 CHADMN COc1cccc2cc(CNc3nccn3C3CC3)oc21 ZINC000840886744 1132302320 /nfs/dbraw/zinc/30/23/20/1132302320.db2.gz ASJPOXHUFDMPPG-UHFFFAOYSA-N 0 1 283.331 3.585 20 0 CHADMN FC(F)c1ccc(CNc2nccn2C2CC2)cc1 ZINC000840886677 1132302719 /nfs/dbraw/zinc/30/27/19/1132302719.db2.gz LQDXGSMRFYRPKH-UHFFFAOYSA-N 0 1 263.291 3.768 20 0 CHADMN CC1(C)Cc2cccc(CNc3nccn3C3CC3)c2O1 ZINC000840887034 1132304934 /nfs/dbraw/zinc/30/49/34/1132304934.db2.gz FWVKHJIPQUDTQQ-UHFFFAOYSA-N 0 1 283.375 3.544 20 0 CHADMN CC(=O)Nc1cc(Nc2ccc3[nH]c(C)nc3c2)ccc1C ZINC001213074057 1132307551 /nfs/dbraw/zinc/30/75/51/1132307551.db2.gz ATTYEQJWSIHPBZ-UHFFFAOYSA-N 0 1 294.358 3.882 20 0 CHADMN CC(=O)[C@H](N[C@@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC001172710128 1132308630 /nfs/dbraw/zinc/30/86/30/1132308630.db2.gz RAPZGZSMTMNBBR-MSOLQXFVSA-N 0 1 299.801 3.727 20 0 CHADMN Oc1ccc(CN2CCC3(CCC3)C2)cc1C(F)(F)F ZINC001231521702 1132313214 /nfs/dbraw/zinc/31/32/14/1132313214.db2.gz CLCLUFVRWQVDPC-UHFFFAOYSA-N 0 1 285.309 3.787 20 0 CHADMN Brc1c[nH]c(CN2CCC[C@H]3CCCC[C@@H]32)c1 ZINC001231573467 1132314880 /nfs/dbraw/zinc/31/48/80/1132314880.db2.gz BVFKOVXMYUNIPF-RISCZKNCSA-N 0 1 297.240 3.932 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1cc(Br)c[nH]1 ZINC001231576448 1132319537 /nfs/dbraw/zinc/31/95/37/1132319537.db2.gz ISCVUUDANBDUFG-CYBMUJFWSA-N 0 1 285.229 3.932 20 0 CHADMN COc1cc(F)ccc1CN1CC[C@@H](C)C(F)(F)CC1 ZINC001231600931 1132323006 /nfs/dbraw/zinc/32/30/06/1132323006.db2.gz BSTBWZLBNSAHGF-LLVKDONJSA-N 0 1 287.325 3.702 20 0 CHADMN COc1cc(F)ccc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001231605226 1132325647 /nfs/dbraw/zinc/32/56/47/1132325647.db2.gz JKJXYGNKTPEQDK-WFASDCNBSA-N 0 1 263.356 3.599 20 0 CHADMN c1oc(-c2ccccc2)nc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001231630003 1132330641 /nfs/dbraw/zinc/33/06/41/1132330641.db2.gz IJJWUJOTVWFEGR-GDBMZVCRSA-N 0 1 282.387 3.964 20 0 CHADMN Cc1ccc(CN2C[C@H]3[C@H](CCC3(F)F)C2)c(Cl)n1 ZINC001142125492 1132331887 /nfs/dbraw/zinc/33/18/87/1132331887.db2.gz TXZITAWJMBOSPM-PWSUYJOCSA-N 0 1 286.753 3.521 20 0 CHADMN C[C@@H](Cc1ccc(F)cc1Cl)N1CC2(C1)CCOCC2 ZINC001172866616 1132332942 /nfs/dbraw/zinc/33/29/42/1132332942.db2.gz IEDCZINGQSTESP-LBPRGKRZSA-N 0 1 297.801 3.523 20 0 CHADMN CCOc1ccc(CN(CC)Cc2ccc(F)cc2)cn1 ZINC001231655327 1132335775 /nfs/dbraw/zinc/33/57/75/1132335775.db2.gz DTMDLUOTWPHFDK-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN CCOc1ccc(CN(C)C/C=C/c2ccccc2)cn1 ZINC001231653873 1132336167 /nfs/dbraw/zinc/33/61/67/1132336167.db2.gz AEKADDQYLZFUBC-JXMROGBWSA-N 0 1 282.387 3.626 20 0 CHADMN Cc1sc2ccccc2c1CN1CCOC2(CC2)C1 ZINC001231648063 1132336964 /nfs/dbraw/zinc/33/69/64/1132336964.db2.gz ZRDZVOASVRKVQM-UHFFFAOYSA-N 0 1 273.401 3.575 20 0 CHADMN C[C@@H](Cc1c(F)cccc1Cl)N1CC2(C1)CCCOC2 ZINC001172847789 1132338439 /nfs/dbraw/zinc/33/84/39/1132338439.db2.gz PRWZQMDMHMHFER-LBPRGKRZSA-N 0 1 297.801 3.523 20 0 CHADMN Cc1ccc(CN2CCN(C3CC3)CC2)c(Cl)c1Cl ZINC001231662431 1132338679 /nfs/dbraw/zinc/33/86/79/1132338679.db2.gz DKCPBSBMSQVQLE-UHFFFAOYSA-N 0 1 299.245 3.582 20 0 CHADMN C[C@H]1CN(Cc2[nH]cnc2C(C)(C)C)Cc2ccccc21 ZINC001142209738 1132341016 /nfs/dbraw/zinc/34/10/16/1132341016.db2.gz TZUCXIRLTNVAAS-ZDUSSCGKSA-N 0 1 283.419 3.827 20 0 CHADMN C[C@]1(F)CCC[N@@H+](Cc2ccc(Cl)c(O)c2)CC1 ZINC001231733596 1132348079 /nfs/dbraw/zinc/34/80/79/1132348079.db2.gz ZQGGNGIOHCTICX-AWEZNQCLSA-N 0 1 271.763 3.760 20 0 CHADMN C[N@@H+](CCc1ccccc1F)Cc1ccc(Cl)c(O)c1 ZINC001231735214 1132348666 /nfs/dbraw/zinc/34/86/66/1132348666.db2.gz LSAQQCKLRQLXFA-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN C[N@H+](CCc1ccccc1F)Cc1ccc(Cl)c([O-])c1 ZINC001231735214 1132348673 /nfs/dbraw/zinc/34/86/73/1132348673.db2.gz LSAQQCKLRQLXFA-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN C[N@@H+](CCc1ccccc1F)Cc1ccc(Cl)c([O-])c1 ZINC001231735214 1132348680 /nfs/dbraw/zinc/34/86/80/1132348680.db2.gz LSAQQCKLRQLXFA-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN CN[C@H](c1nc(-c2ccccc2C(F)(F)F)no1)C(C)C ZINC001248999504 1132349066 /nfs/dbraw/zinc/34/90/66/1132349066.db2.gz DSBMMNYRCKZAIK-NSHDSACASA-N 0 1 299.296 3.672 20 0 CHADMN [O-]c1cc(C[NH+]2CCc3ccccc3CC2)ccc1Cl ZINC001231734297 1132350573 /nfs/dbraw/zinc/35/05/73/1132350573.db2.gz VHBOSQIFGFDSLD-UHFFFAOYSA-N 0 1 287.790 3.646 20 0 CHADMN C[C@@H]1CC[N@H+](Cc2ccc(Cl)c([O-])c2)[C@@H](C)C1 ZINC001231734194 1132350850 /nfs/dbraw/zinc/35/08/50/1132350850.db2.gz RIYCVTHTAFZURE-MNOVXSKESA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([O-])c2)[C@@H](C)C1 ZINC001231734194 1132350858 /nfs/dbraw/zinc/35/08/58/1132350858.db2.gz RIYCVTHTAFZURE-MNOVXSKESA-N 0 1 253.773 3.666 20 0 CHADMN CC(C)O[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172871343 1132351837 /nfs/dbraw/zinc/35/18/37/1132351837.db2.gz NYWVUNWEBKORLV-SWLSCSKDSA-N 0 1 299.817 3.909 20 0 CHADMN CCCCc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1 ZINC001231779646 1132355960 /nfs/dbraw/zinc/35/59/60/1132355960.db2.gz DVZYVHHVWAHAJF-YESZJQIVSA-N 0 1 261.384 3.819 20 0 CHADMN CCCCc1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1 ZINC001231779646 1132355971 /nfs/dbraw/zinc/35/59/71/1132355971.db2.gz DVZYVHHVWAHAJF-YESZJQIVSA-N 0 1 261.384 3.819 20 0 CHADMN CCOc1ncccc1C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001231767396 1132357509 /nfs/dbraw/zinc/35/75/09/1132357509.db2.gz VAHNKKKPYHTTGT-QGZVFWFLSA-N 0 1 282.387 3.600 20 0 CHADMN CCOc1ncccc1CN(C)[C@@H]1CCc2ccccc21 ZINC001231767396 1132357517 /nfs/dbraw/zinc/35/75/17/1132357517.db2.gz VAHNKKKPYHTTGT-QGZVFWFLSA-N 0 1 282.387 3.600 20 0 CHADMN C[C@@H](CSc1ccc(Cl)cc1)N1C[C@H]2CC[C@@H]1CO2 ZINC001172885793 1132358467 /nfs/dbraw/zinc/35/84/67/1132358467.db2.gz UUZMSYDTJYUGLJ-IACUBPJLSA-N 0 1 297.851 3.684 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1ccccc1SC)C2 ZINC001231784045 1132360148 /nfs/dbraw/zinc/36/01/48/1132360148.db2.gz OAAHJPRPXCNUDU-UHFFFAOYSA-N 0 1 299.439 3.975 20 0 CHADMN Cc1n[nH]c(C)c1NC(=O)/C=C/[C@]1(C)CC[C@H](C)C1(C)C ZINC000841381061 1132360444 /nfs/dbraw/zinc/36/04/44/1132360444.db2.gz FUZHMZDWDVGRPM-VJNMUNPUSA-N 0 1 289.423 3.984 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1ccc(-c2ccccc2)o1 ZINC001231810065 1132368967 /nfs/dbraw/zinc/36/89/67/1132368967.db2.gz JRFDEYVTSVPMPC-TZMCWYRMSA-N 0 1 259.324 3.879 20 0 CHADMN CCOC(=O)c1ccc(Nc2ccc3[nH]c(C)nc3c2)cc1 ZINC001213074475 1132371166 /nfs/dbraw/zinc/37/11/66/1132371166.db2.gz WHSFFCBVXREUHI-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN CCCc1ccc(CN2CC3(C2)C[C@@H](F)CS3)cc1 ZINC001142367405 1132374647 /nfs/dbraw/zinc/37/46/47/1132374647.db2.gz NDQPTIJJIQIRCH-OAHLLOKOSA-N 0 1 279.424 3.669 20 0 CHADMN CCCc1ccc(CN2CCc3cccnc3C2)cc1 ZINC001142367008 1132374789 /nfs/dbraw/zinc/37/47/89/1132374789.db2.gz BGXIRTYYEUSSSM-UHFFFAOYSA-N 0 1 266.388 3.592 20 0 CHADMN CCCc1ccc(CN2CCc3ncccc3C2)cc1 ZINC001142364385 1132375021 /nfs/dbraw/zinc/37/50/21/1132375021.db2.gz RGOLEMBFBXKBEU-UHFFFAOYSA-N 0 1 266.388 3.592 20 0 CHADMN Cc1cc(OCc2ccccc2)ccc1CN(C)CCF ZINC001231848885 1132378937 /nfs/dbraw/zinc/37/89/37/1132378937.db2.gz KJBKLKPKERBMCZ-UHFFFAOYSA-N 0 1 287.378 3.975 20 0 CHADMN Fc1c(CN2C[C@H]3CC[C@@H]2C3)ccc(C(F)(F)F)c1F ZINC001231861923 1132380240 /nfs/dbraw/zinc/38/02/40/1132380240.db2.gz USLLILKZCVTQLJ-WCBMZHEXSA-N 0 1 291.263 3.968 20 0 CHADMN CCCN(Cc1cnc(SC)nc1Cl)[C@H](C)CC ZINC001142408448 1132382497 /nfs/dbraw/zinc/38/24/97/1132382497.db2.gz MSTGKZLRPJFYKI-SNVBAGLBSA-N 0 1 287.860 3.862 20 0 CHADMN c1cc(OC2CCCCC2)ncc1CN1CCCCC1 ZINC001231871230 1132384961 /nfs/dbraw/zinc/38/49/61/1132384961.db2.gz GITPXZWLOMDZMZ-UHFFFAOYSA-N 0 1 274.408 3.779 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1ccccc1C(C)C ZINC001231877525 1132386964 /nfs/dbraw/zinc/38/69/64/1132386964.db2.gz IOWVVEBALRKQQY-QGZVFWFLSA-N 0 1 259.393 3.754 20 0 CHADMN CC(C)c1ccccc1CN1CCc2occc2C1 ZINC001231877829 1132387554 /nfs/dbraw/zinc/38/75/54/1132387554.db2.gz WLKAXYNQARCEOT-UHFFFAOYSA-N 0 1 255.361 3.961 20 0 CHADMN CSc1ncc(CN2CCC[C@@H]3CCC[C@H]32)c(Cl)n1 ZINC001142431774 1132387794 /nfs/dbraw/zinc/38/77/94/1132387794.db2.gz KIROIRWBVKYJCR-CMPLNLGQSA-N 0 1 297.855 3.616 20 0 CHADMN CCCOC1CCC(N2CCn3cccc3[C@H]2C)CC1 ZINC001173100400 1132391158 /nfs/dbraw/zinc/39/11/58/1132391158.db2.gz JIZBVHJXCUFGBK-QQFBHYJXSA-N 0 1 276.424 3.603 20 0 CHADMN NCc1nc2cnccc2n1C1CCC2(CCCCC2)CC1 ZINC001173118393 1132397351 /nfs/dbraw/zinc/39/73/51/1132397351.db2.gz MVRXOZDQCKGGHW-UHFFFAOYSA-N 0 1 298.434 3.956 20 0 CHADMN Cn1ncc2c1CN(C1CCC3(CCCCC3)CC1)CC2 ZINC001173121041 1132401498 /nfs/dbraw/zinc/40/14/98/1132401498.db2.gz MQFZACZJJKGZRQ-UHFFFAOYSA-N 0 1 287.451 3.671 20 0 CHADMN CN(Cc1ncc(Cl)n1C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000841892157 1132401977 /nfs/dbraw/zinc/40/19/77/1132401977.db2.gz SZXJDQSMIMAHAJ-NWDGAFQWSA-N 0 1 283.847 3.720 20 0 CHADMN Cc1cc(CN2CCSC[C@H]2C2CCC2)cc(Cl)n1 ZINC000841894545 1132402010 /nfs/dbraw/zinc/40/20/10/1132402010.db2.gz YQEINBNWVKMHFZ-AWEZNQCLSA-N 0 1 296.867 3.761 20 0 CHADMN Cc1cc(F)ncc1CN1Cc2ccccc2[C@@H](C)C1 ZINC001231980323 1132405284 /nfs/dbraw/zinc/40/52/84/1132405284.db2.gz SLPPMQGCAVGUHX-ZDUSSCGKSA-N 0 1 270.351 3.648 20 0 CHADMN Cc1c(Cl)cc(NC(=O)C2CC(F)C2)c(O)c1Cl ZINC001142577533 1132410408 /nfs/dbraw/zinc/41/04/08/1132410408.db2.gz ZNAXKXHGGXCQIJ-UHFFFAOYSA-N 0 1 292.137 3.694 20 0 CHADMN CC(C)CN(C)Cc1cc(C(F)(F)F)cnc1Cl ZINC001232006252 1132411852 /nfs/dbraw/zinc/41/18/52/1132411852.db2.gz WBRYWCIYYUYBEG-UHFFFAOYSA-N 0 1 280.721 3.842 20 0 CHADMN COc1cccc2[nH]cc(CN(Cc3ccco3)C3CC3)c21 ZINC001232039169 1132414917 /nfs/dbraw/zinc/41/49/17/1132414917.db2.gz VTUQWUIXWVIMBU-UHFFFAOYSA-N 0 1 296.370 3.934 20 0 CHADMN CC[C@H]1CCC[N@H+]1Cc1ncc(Br)cc1C ZINC001232047710 1132415031 /nfs/dbraw/zinc/41/50/31/1132415031.db2.gz AUBHLLSNGBKXTC-LBPRGKRZSA-N 0 1 283.213 3.527 20 0 CHADMN CC[C@H]1CCCN1Cc1ncc(Br)cc1C ZINC001232047710 1132415035 /nfs/dbraw/zinc/41/50/35/1132415035.db2.gz AUBHLLSNGBKXTC-LBPRGKRZSA-N 0 1 283.213 3.527 20 0 CHADMN Cc1cc(Br)cnc1C[N@H+]1CCCC1(C)C ZINC001232045540 1132415656 /nfs/dbraw/zinc/41/56/56/1132415656.db2.gz VJRDOMMQEDQMIJ-UHFFFAOYSA-N 0 1 283.213 3.527 20 0 CHADMN Cc1cc(Br)cnc1CN1CCCC1(C)C ZINC001232045540 1132415660 /nfs/dbraw/zinc/41/56/60/1132415660.db2.gz VJRDOMMQEDQMIJ-UHFFFAOYSA-N 0 1 283.213 3.527 20 0 CHADMN CCOc1ccc([C@H]2CCC[N@H+]2Cc2cncc(O)c2)cc1 ZINC001232041808 1132415694 /nfs/dbraw/zinc/41/56/94/1132415694.db2.gz LAZQLKYRCWHPIH-GOSISDBHSA-N 0 1 298.386 3.523 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2cncc(O)c2)cc1 ZINC001232041808 1132415698 /nfs/dbraw/zinc/41/56/98/1132415698.db2.gz LAZQLKYRCWHPIH-GOSISDBHSA-N 0 1 298.386 3.523 20 0 CHADMN CCC(CC)N(C)Cc1c(Cl)n(C)nc1C(F)F ZINC001232055482 1132417089 /nfs/dbraw/zinc/41/70/89/1132417089.db2.gz BWTMWYPCNYTOMD-UHFFFAOYSA-N 0 1 279.762 3.632 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2cccc(C(F)(F)F)n2)C1 ZINC001232072056 1132419219 /nfs/dbraw/zinc/41/92/19/1132419219.db2.gz YJVDDUMAUMLTMF-GHMZBOCLSA-N 0 1 272.314 3.578 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1cc2ccncc2[nH]1 ZINC001232089624 1132420538 /nfs/dbraw/zinc/42/05/38/1132420538.db2.gz BPBLUIQCBVJYFV-CYBMUJFWSA-N 0 1 277.371 3.682 20 0 CHADMN CCC(C)(C)c1ccc(CN2CCC[C@H]2C(C)=O)cc1 ZINC001232080238 1132420733 /nfs/dbraw/zinc/42/07/33/1132420733.db2.gz GHQXMBXWCLNAHZ-KRWDZBQOSA-N 0 1 273.420 3.928 20 0 CHADMN Cc1cnc(CN2CCC[C@H]2C(C)C)c(Br)c1 ZINC001232179874 1132431780 /nfs/dbraw/zinc/43/17/80/1132431780.db2.gz WAIHBGLHISQQAG-AWEZNQCLSA-N 0 1 297.240 3.773 20 0 CHADMN CCc1ccc(C[C@H](C)N2CC[C@@](C)(F)[C@@H](F)C2)cc1 ZINC001173251463 1132421430 /nfs/dbraw/zinc/42/14/30/1132421430.db2.gz BGGNBDNVDDPBNR-RRQGHBQHSA-N 0 1 281.390 3.952 20 0 CHADMN Cc1cnc(CN2CCCC2(C)C)c(Br)c1 ZINC001232173266 1132432184 /nfs/dbraw/zinc/43/21/84/1132432184.db2.gz OZJNGTXYEYRQDM-UHFFFAOYSA-N 0 1 283.213 3.527 20 0 CHADMN CCCC[C@@H](CC(C)C)N1CCCC(=O)[C@@H](F)C1 ZINC001173255331 1132423994 /nfs/dbraw/zinc/42/39/94/1132423994.db2.gz HVYZFNYWBUBROG-KBPBESRZSA-N 0 1 257.393 3.594 20 0 CHADMN CC[C@H]1CC[C@H](n2c3cc(Cl)ccc3nc2CN)C1 ZINC001173266180 1132432706 /nfs/dbraw/zinc/43/27/06/1132432706.db2.gz XYBYPUMFUCOOFW-JQWIXIFHSA-N 0 1 277.799 3.900 20 0 CHADMN Fc1cccc2c(CN3CCCC[C@@H](F)C3)ccnc12 ZINC001232210558 1132434768 /nfs/dbraw/zinc/43/47/68/1132434768.db2.gz PXWHTCWKEOAZQF-CYBMUJFWSA-N 0 1 276.330 3.698 20 0 CHADMN C[C@@H]1CN(Cc2ccnc3c(F)cccc23)CCC1(F)F ZINC001232209364 1132435689 /nfs/dbraw/zinc/43/56/89/1132435689.db2.gz HENANBKUNGGDGX-LLVKDONJSA-N 0 1 294.320 3.851 20 0 CHADMN Cc1scnc1CN(C)C(C)(C)Cc1ccccc1 ZINC001232211571 1132437934 /nfs/dbraw/zinc/43/79/34/1132437934.db2.gz HLAUUIWBELYGMV-UHFFFAOYSA-N 0 1 274.433 3.905 20 0 CHADMN Fc1ccc(C[C@@H]2CCCN(Cc3cnsc3)C2)cc1 ZINC001232229385 1132440485 /nfs/dbraw/zinc/44/04/85/1132440485.db2.gz JDXYXLSCDKGLCK-AWEZNQCLSA-N 0 1 290.407 3.737 20 0 CHADMN F[C@H]1CCCCN(Cc2cccn2Cc2ccccc2)C1 ZINC001232232121 1132440626 /nfs/dbraw/zinc/44/06/26/1132440626.db2.gz LBIHEMOYZFTLBG-KRWDZBQOSA-N 0 1 286.394 3.860 20 0 CHADMN C[C@]1(F)CCCN(Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001232238144 1132442697 /nfs/dbraw/zinc/44/26/97/1132442697.db2.gz ZLVPACVSLJZIEY-ZDUSSCGKSA-N 0 1 290.304 3.815 20 0 CHADMN C[C@@]1(F)CCCN(Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001232238143 1132443239 /nfs/dbraw/zinc/44/32/39/1132443239.db2.gz ZLVPACVSLJZIEY-CYBMUJFWSA-N 0 1 290.304 3.815 20 0 CHADMN CCN(Cc1ccc(C)c(C)c1)Cc1cccc(COC)n1 ZINC001232261321 1132443870 /nfs/dbraw/zinc/44/38/70/1132443870.db2.gz YIFHNEHPHWWTKS-UHFFFAOYSA-N 0 1 298.430 3.867 20 0 CHADMN Clc1cc(CN2CC[C@@H](c3cccnc3)C2)cs1 ZINC001142768510 1132444123 /nfs/dbraw/zinc/44/41/23/1132444123.db2.gz FBHMEEHWWKBCJC-CYBMUJFWSA-N 0 1 278.808 3.786 20 0 CHADMN Cc1ncccc1CN(C)Cc1nccc2ccccc21 ZINC001232249126 1132444206 /nfs/dbraw/zinc/44/42/06/1132444206.db2.gz HVPUXHGGKJSKIH-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN CC(C)c1ccc2cc(-c3nc(C4(N)CCC4)no3)[nH]c2c1 ZINC000842617263 1132444573 /nfs/dbraw/zinc/44/45/73/1132444573.db2.gz OKASMUSNAUBOMZ-UHFFFAOYSA-N 0 1 296.374 3.679 20 0 CHADMN COCc1cccc(CN2CCC[C@@H]2c2cccs2)n1 ZINC001232256675 1132444826 /nfs/dbraw/zinc/44/48/26/1132444826.db2.gz ZJGPFHFLQWEXMT-OAHLLOKOSA-N 0 1 288.416 3.627 20 0 CHADMN COCc1cccc(CN(C)Cc2ccc(Cl)cc2)n1 ZINC001232255008 1132445416 /nfs/dbraw/zinc/44/54/16/1132445416.db2.gz LVCNQNKQWAPMCX-UHFFFAOYSA-N 0 1 290.794 3.513 20 0 CHADMN CCOc1ccc(CN2CCCC[C@](C)(F)C2)c(C)n1 ZINC001232306646 1132450554 /nfs/dbraw/zinc/45/05/54/1132450554.db2.gz CIRQKDIJOSAQRF-INIZCTEOSA-N 0 1 280.387 3.503 20 0 CHADMN Cc1sc(CN2CC[C@H](C)C2)cc1Br ZINC001232291346 1132450579 /nfs/dbraw/zinc/45/05/79/1132450579.db2.gz JDEHIWKVXRVSRO-QMMMGPOBSA-N 0 1 274.227 3.661 20 0 CHADMN CCSC[C@@H](C)N1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001173311826 1132451262 /nfs/dbraw/zinc/45/12/62/1132451262.db2.gz PMPXXGNXKTYRHB-CJNGLKHVSA-N 0 1 297.439 3.515 20 0 CHADMN CSc1ccc(CN2CCC(c3ccccn3)CC2)cn1 ZINC001232329138 1132454169 /nfs/dbraw/zinc/45/41/69/1132454169.db2.gz RUPDHIWTZLTPPD-UHFFFAOYSA-N 0 1 299.443 3.578 20 0 CHADMN CSc1ccc(CN(C)Cc2cccc(C)c2)cn1 ZINC001232325295 1132455067 /nfs/dbraw/zinc/45/50/67/1132455067.db2.gz YRCNWQNKNBGYJP-UHFFFAOYSA-N 0 1 272.417 3.744 20 0 CHADMN CSc1cc(C)c(CN(C)Cc2ccccc2)cn1 ZINC001232345564 1132458448 /nfs/dbraw/zinc/45/84/48/1132458448.db2.gz IYIFMQVEBNRSOW-UHFFFAOYSA-N 0 1 272.417 3.744 20 0 CHADMN COc1cc(CN2C[C@H](C)C[C@@H](C)C2)c(OC)cc1Cl ZINC001232373596 1132460367 /nfs/dbraw/zinc/46/03/67/1132460367.db2.gz GRKJNHWSRLSYGY-VXGBXAGGSA-N 0 1 297.826 3.835 20 0 CHADMN Cc1cccc(CN(Cc2[nH]nc3c2CCC3)C2CC2)c1C ZINC001232430402 1132469663 /nfs/dbraw/zinc/46/96/63/1132469663.db2.gz WVYPXDZRUPXCFX-UHFFFAOYSA-N 0 1 295.430 3.680 20 0 CHADMN Cc1ncc(CN2CCc3cc(Cl)cc(Cl)c3C2)[nH]1 ZINC001232467937 1132475562 /nfs/dbraw/zinc/47/55/62/1132475562.db2.gz IXWJMKCZNQTVIH-UHFFFAOYSA-N 0 1 296.201 3.583 20 0 CHADMN CCc1csc(CN(C)CCc2ccc(F)cc2)n1 ZINC001232476303 1132476355 /nfs/dbraw/zinc/47/63/55/1132476355.db2.gz WZQKECCCXICEQT-UHFFFAOYSA-N 0 1 278.396 3.519 20 0 CHADMN Cc1cccc(F)c1CN1CC[C@H](C(=O)c2ccccc2)C1 ZINC001232484494 1132477853 /nfs/dbraw/zinc/47/78/53/1132477853.db2.gz CWIWTJZZGBOOOA-INIZCTEOSA-N 0 1 297.373 3.839 20 0 CHADMN Cc1cccc(F)c1CN1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001232484495 1132477888 /nfs/dbraw/zinc/47/78/88/1132477888.db2.gz CWIWTJZZGBOOOA-MRXNPFEDSA-N 0 1 297.373 3.839 20 0 CHADMN CN(CCc1ccccc1Cl)Cc1cc(F)ccn1 ZINC001232496136 1132479268 /nfs/dbraw/zinc/47/92/68/1132479268.db2.gz OQUYKZOYRUDNMW-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1cc(F)ccc1N ZINC001232512301 1132482297 /nfs/dbraw/zinc/48/22/97/1132482297.db2.gz NJJSJPAVLLPPQX-LBPRGKRZSA-N 0 1 288.366 3.610 20 0 CHADMN COc1cc(C)c(CN2CC[C@@](C)(F)[C@@H](F)C2)c(C)c1 ZINC001142933605 1132483530 /nfs/dbraw/zinc/48/35/30/1132483530.db2.gz XFUSNPBRZHLOIL-JKSUJKDBSA-N 0 1 283.362 3.584 20 0 CHADMN Cc1ccc(CN(C)Cc2cc3ccoc3cn2)cc1 ZINC001232551542 1132485788 /nfs/dbraw/zinc/48/57/88/1132485788.db2.gz RDSWJIXETWZYLI-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cc2ccoc2cn1 ZINC001232554304 1132487045 /nfs/dbraw/zinc/48/70/45/1132487045.db2.gz RFVOBXMZRNBKPH-UHFFFAOYSA-N 0 1 284.334 3.989 20 0 CHADMN FC1CC2(C1)CCN(Cc1nc3ccccc3o1)CC2 ZINC001232555694 1132487880 /nfs/dbraw/zinc/48/78/80/1132487880.db2.gz DLMPPKMGZFDCCM-UHFFFAOYSA-N 0 1 274.339 3.542 20 0 CHADMN COC(=O)c1ccc(CN2CCC23CCCC3)c(Cl)c1 ZINC001232576161 1132488835 /nfs/dbraw/zinc/48/88/35/1132488835.db2.gz QYWOLOUDGQGIBN-UHFFFAOYSA-N 0 1 293.794 3.645 20 0 CHADMN COC(=O)c1ccc(CN2CCC3(CC3)CC2)c(Cl)c1 ZINC001232575752 1132489498 /nfs/dbraw/zinc/48/94/98/1132489498.db2.gz BKFFCLATXXZJML-UHFFFAOYSA-N 0 1 293.794 3.503 20 0 CHADMN Fc1cc2c(cc1F)CC(N1CCc3ccsc3C1)C2 ZINC001173487645 1132489701 /nfs/dbraw/zinc/48/97/01/1132489701.db2.gz PWAYBYSLFUQGPB-UHFFFAOYSA-N 0 1 291.366 3.552 20 0 CHADMN C[C@@H](CCc1ccc(Cl)c(Cl)c1)N1CCOCC1 ZINC001173546104 1132490850 /nfs/dbraw/zinc/49/08/50/1132490850.db2.gz GJGJKBUGPBUVLO-NSHDSACASA-N 0 1 288.218 3.647 20 0 CHADMN CCOC(=O)c1ccc(CN2CCC[C@@H](C)C2)c(Cl)c1 ZINC001232592890 1132491263 /nfs/dbraw/zinc/49/12/63/1132491263.db2.gz YUYLMUDDQBPASF-GFCCVEGCSA-N 0 1 295.810 3.749 20 0 CHADMN c1ccc(COc2ccnc(CN3C4CCC3CC4)c2)cc1 ZINC001232591815 1132491608 /nfs/dbraw/zinc/49/16/08/1132491608.db2.gz ZHZGLHKJALGAOE-UHFFFAOYSA-N 0 1 294.398 3.787 20 0 CHADMN CC(C)[C@@H]1COCCN1Cc1ccc2ccsc2c1 ZINC001232617149 1132495517 /nfs/dbraw/zinc/49/55/17/1132495517.db2.gz XCPIJCVYBANLTL-HNNXBMFYSA-N 0 1 275.417 3.758 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@@H](C)Oc2ccccc2Cl)n1 ZINC000843151957 1132498079 /nfs/dbraw/zinc/49/80/79/1132498079.db2.gz IPFGDONZKPQLJG-BXKDBHETSA-N 0 1 295.770 3.519 20 0 CHADMN C/C(=C/c1cccc(Cl)c1)c1nc([C@@H](N)C(C)C)no1 ZINC000843149478 1132498180 /nfs/dbraw/zinc/49/81/80/1132498180.db2.gz NUKXKQBPDRXNRW-SZNGSJQDSA-N 0 1 291.782 3.939 20 0 CHADMN CC[C@@H](Sc1ccccc1)c1nc([C@H](N)C(C)C)no1 ZINC000843151259 1132498234 /nfs/dbraw/zinc/49/82/34/1132498234.db2.gz DVPWFBUPQTUUDU-CHWSQXEVSA-N 0 1 291.420 3.969 20 0 CHADMN Cc1cc2cc(-c3nc([C@H](N)C(C)C)no3)oc2cc1C ZINC000843148880 1132498244 /nfs/dbraw/zinc/49/82/44/1132498244.db2.gz FJIWLPLHXLYLFM-CQSZACIVSA-N 0 1 285.347 3.755 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2ccc(C3CCC3)cc2)n1 ZINC000843154325 1132498254 /nfs/dbraw/zinc/49/82/54/1132498254.db2.gz PBHMPVKETWRPSQ-CQSZACIVSA-N 0 1 271.364 3.660 20 0 CHADMN CC[C@@H](Sc1ccccc1)c1nc([C@@H](N)C(C)C)no1 ZINC000843151260 1132498967 /nfs/dbraw/zinc/49/89/67/1132498967.db2.gz DVPWFBUPQTUUDU-OLZOCXBDSA-N 0 1 291.420 3.969 20 0 CHADMN COc1cccc(CN(C)Cc2c(C)cccc2OC)c1 ZINC001232626982 1132498950 /nfs/dbraw/zinc/49/89/50/1132498950.db2.gz IVRJOUAGOGLSHV-UHFFFAOYSA-N 0 1 285.387 3.644 20 0 CHADMN C[C@H]1c2cccn2CCN1Cc1cccc2c1CCCC2 ZINC001232638874 1132501128 /nfs/dbraw/zinc/50/11/28/1132501128.db2.gz QOHIAHPOYFLICA-HNNXBMFYSA-N 0 1 280.415 3.944 20 0 CHADMN CC[C@H]1CCCN1Cc1ccc(Br)c(C)n1 ZINC001232665403 1132502504 /nfs/dbraw/zinc/50/25/04/1132502504.db2.gz HSNGMTWZBZNWAG-LBPRGKRZSA-N 0 1 283.213 3.527 20 0 CHADMN Clc1cccc2c1C[N@@H+](Cc1cccc3n[nH]cc31)CC2 ZINC001143099786 1132502597 /nfs/dbraw/zinc/50/25/97/1132502597.db2.gz WGWQSLNCFQRNNG-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN Clc1cccc2c1CN(Cc1cccc3n[nH]cc31)CC2 ZINC001143099786 1132502604 /nfs/dbraw/zinc/50/26/04/1132502604.db2.gz WGWQSLNCFQRNNG-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(-c2cc(C)ccc2F)no1 ZINC000843216500 1132503791 /nfs/dbraw/zinc/50/37/91/1132503791.db2.gz JAESOIJDLKQRED-ZDUSSCGKSA-N 0 1 291.370 3.881 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(Br)[nH]2)cc1 ZINC001232689045 1132504459 /nfs/dbraw/zinc/50/44/59/1132504459.db2.gz HTKGLBOKUJTWQO-UHFFFAOYSA-N 0 1 293.208 3.718 20 0 CHADMN Brc1ccc(CN2CCCCCCC2)[nH]1 ZINC001232688093 1132504808 /nfs/dbraw/zinc/50/48/08/1132504808.db2.gz NICGDMRETKTEKF-UHFFFAOYSA-N 0 1 271.202 3.543 20 0 CHADMN c1nc2cccc(CN3CCOc4ccccc4C3)c2s1 ZINC001232733211 1132510489 /nfs/dbraw/zinc/51/04/89/1132510489.db2.gz NRZGLWVFESYEQZ-UHFFFAOYSA-N 0 1 296.395 3.691 20 0 CHADMN c1nc2ccc(CN3CCc4ccccc4C3)cc2s1 ZINC001232737439 1132512905 /nfs/dbraw/zinc/51/29/05/1132512905.db2.gz YPLHOQZTXKGAGP-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN CCOc1cc(CN2CCc3cc(C)ccc3C2)ccc1O ZINC001204134145 1132513394 /nfs/dbraw/zinc/51/33/94/1132513394.db2.gz MSXVOUMHQWXUMX-UHFFFAOYSA-N 0 1 297.398 3.658 20 0 CHADMN CCN(Cc1cc2cccnc2[nH]1)Cc1cccs1 ZINC001143222125 1132520383 /nfs/dbraw/zinc/52/03/83/1132520383.db2.gz YVLGJKRDXGDBIH-UHFFFAOYSA-N 0 1 271.389 3.647 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cc3cccnc3[nH]2)cn1 ZINC001143222138 1132521107 /nfs/dbraw/zinc/52/11/07/1132521107.db2.gz ZCJAXQQGNOKFTL-QGZVFWFLSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1ncccc1CN(C)Cc1ccc(C(F)F)cc1 ZINC001143253449 1132524656 /nfs/dbraw/zinc/52/46/56/1132524656.db2.gz UMJQGVUTJRCNTH-UHFFFAOYSA-N 0 1 276.330 3.960 20 0 CHADMN CCOc1ccc(CN2CCCC[C@H](C)C2)c(F)c1F ZINC001143269436 1132525575 /nfs/dbraw/zinc/52/55/75/1132525575.db2.gz MCOUMLOZAAUYTR-LBPRGKRZSA-N 0 1 283.362 3.986 20 0 CHADMN CCOc1ccc(CN(C)CC(C)(C)C)c(F)c1F ZINC001143276650 1132528386 /nfs/dbraw/zinc/52/83/86/1132528386.db2.gz RYVYKSMLHREBAZ-UHFFFAOYSA-N 0 1 271.351 3.841 20 0 CHADMN COc1cc(CN2CCc3ccccc3C2)c(OC)cc1C ZINC001232834097 1132528703 /nfs/dbraw/zinc/52/87/03/1132528703.db2.gz PSDRMWABCANYRQ-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN CC1(C)CCC[C@@H](CN2CCc3cc(Cl)nnc3C2)C1 ZINC000843419025 1132531179 /nfs/dbraw/zinc/53/11/79/1132531179.db2.gz SKBDDTHTEUFWLB-GFCCVEGCSA-N 0 1 293.842 3.705 20 0 CHADMN Brc1coc(CN2C[C@H]3CCCC[C@@H]3C2)c1 ZINC001232851749 1132531604 /nfs/dbraw/zinc/53/16/04/1132531604.db2.gz IAEDGAUYGRIQKQ-GHMZBOCLSA-N 0 1 284.197 3.664 20 0 CHADMN CC(=O)[C@H]1CCCN(Cc2cncc(-c3ccccc3)c2)C1 ZINC001232902621 1132539054 /nfs/dbraw/zinc/53/90/54/1132539054.db2.gz ODYDLEVHPCCUBC-SFHVURJKSA-N 0 1 294.398 3.550 20 0 CHADMN Oc1c(Cl)ccc(Nc2cccc3nccn32)c1F ZINC001214791614 1132552200 /nfs/dbraw/zinc/55/22/00/1132552200.db2.gz ZZNDIIQERABZPI-UHFFFAOYSA-N 0 1 277.686 3.576 20 0 CHADMN C[C@H](O)c1ccc(Nc2ccc(Cl)c(O)c2F)cc1 ZINC001214799544 1132552965 /nfs/dbraw/zinc/55/29/65/1132552965.db2.gz XQJIACRINXXFMV-QMMMGPOBSA-N 0 1 281.714 3.982 20 0 CHADMN O=C1OCc2ccc(Nc3ccc(Cl)c(O)c3F)cc21 ZINC001214799123 1132552978 /nfs/dbraw/zinc/55/29/78/1132552978.db2.gz NACUCFYIPPFNNQ-UHFFFAOYSA-N 0 1 293.681 3.599 20 0 CHADMN c1cnc([C@@H]2CCCN2Cc2ccc(C3CC3)cc2)cn1 ZINC001232983926 1132555306 /nfs/dbraw/zinc/55/53/06/1132555306.db2.gz UQXBGKGAJHVPSO-SFHVURJKSA-N 0 1 279.387 3.691 20 0 CHADMN Cc1ncc(F)cc1CN1CC[C@@H](c2ccccc2F)C1 ZINC001232990067 1132557289 /nfs/dbraw/zinc/55/72/89/1132557289.db2.gz MKPOQTBJRDSMAQ-CYBMUJFWSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1cnc(C)cc1C)CC2 ZINC001233006980 1132562124 /nfs/dbraw/zinc/56/21/24/1132562124.db2.gz FXHKATOOKSSKME-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cnc(C)cc1C ZINC001233010249 1132562396 /nfs/dbraw/zinc/56/23/96/1132562396.db2.gz SYPJKBAQSBPCAW-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ncc1O ZINC001233036154 1132564234 /nfs/dbraw/zinc/56/42/34/1132564234.db2.gz LRIOEIJRVJTYCH-LBPRGKRZSA-N 0 1 268.788 3.595 20 0 CHADMN CCC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ncc1[O-] ZINC001233036154 1132564239 /nfs/dbraw/zinc/56/42/39/1132564239.db2.gz LRIOEIJRVJTYCH-LBPRGKRZSA-N 0 1 268.788 3.595 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ncc1[O-] ZINC001233036154 1132564242 /nfs/dbraw/zinc/56/42/42/1132564242.db2.gz LRIOEIJRVJTYCH-LBPRGKRZSA-N 0 1 268.788 3.595 20 0 CHADMN CCOC(=O)c1ccsc1CN(C)CC1CCCC1 ZINC001233021719 1132564432 /nfs/dbraw/zinc/56/44/32/1132564432.db2.gz RLYSZAXSKRUWII-UHFFFAOYSA-N 0 1 281.421 3.547 20 0 CHADMN CCCN(Cc1ccccc1)Cc1ncccc1OC ZINC001206636701 1132564968 /nfs/dbraw/zinc/56/49/68/1132564968.db2.gz GSWUOZBEPSSLTF-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCC(C(C)C)CC1 ZINC001233022250 1132565525 /nfs/dbraw/zinc/56/55/25/1132565525.db2.gz YQCHPQPXMKCCPX-UHFFFAOYSA-N 0 1 295.448 3.793 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCC[C@@H]2CCC[C@H]21 ZINC001233020575 1132566184 /nfs/dbraw/zinc/56/61/84/1132566184.db2.gz NLDMEADUTWFBEQ-GXTWGEPZSA-N 0 1 293.432 3.689 20 0 CHADMN Oc1cccc(C[N@H+]2CCCC3(CC(F)C3)CC2)c1F ZINC001233057405 1132569970 /nfs/dbraw/zinc/56/99/70/1132569970.db2.gz LNGRGMUQVGUHSN-UHFFFAOYSA-N 0 1 281.346 3.636 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCCC3(CC(F)C3)CC2)c1F ZINC001233057405 1132569977 /nfs/dbraw/zinc/56/99/77/1132569977.db2.gz LNGRGMUQVGUHSN-UHFFFAOYSA-N 0 1 281.346 3.636 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCCC3(CC(F)C3)CC2)c1F ZINC001233057405 1132569980 /nfs/dbraw/zinc/56/99/80/1132569980.db2.gz LNGRGMUQVGUHSN-UHFFFAOYSA-N 0 1 281.346 3.636 20 0 CHADMN Cc1cc(C)c(NC(=O)c2cc3cccnc3[nH]2)cc1C ZINC001151547280 1132571491 /nfs/dbraw/zinc/57/14/91/1132571491.db2.gz OKEOEPUVAUGMJH-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CC[C@@H]2CCC[C@@H]2C1 ZINC001233168525 1132575972 /nfs/dbraw/zinc/57/59/72/1132575972.db2.gz ZBGUJFKLWKQEFI-QWHCGFSZSA-N 0 1 294.826 3.756 20 0 CHADMN CC(=O)Nc1cccc(Nc2cc(C)nc3ccccc32)c1 ZINC001173829073 1132584022 /nfs/dbraw/zinc/58/40/22/1132584022.db2.gz RKFHEJRQOHUZPB-UHFFFAOYSA-N 0 1 291.354 3.667 20 0 CHADMN CCCCCC[N@@H+](C)CC(=O)N1CCCCC[C@@H]1C(C)C ZINC001152611581 1132585363 /nfs/dbraw/zinc/58/53/63/1132585363.db2.gz ANEGYHJPEHTVBU-QGZVFWFLSA-N 0 1 296.499 3.926 20 0 CHADMN Fc1ccc(-c2nc(CN3CCC4(CC4)C3)cs2)cc1 ZINC001233240826 1132587517 /nfs/dbraw/zinc/58/75/17/1132587517.db2.gz UCFZTYJWHNXTJF-UHFFFAOYSA-N 0 1 288.391 3.935 20 0 CHADMN Cc1ccc(Cl)cc1CN1C[C@@H](C)C[C@H]1CF ZINC001233248383 1132588422 /nfs/dbraw/zinc/58/84/22/1132588422.db2.gz JREVKJQBMFVBMN-HZMBPMFUSA-N 0 1 255.764 3.828 20 0 CHADMN CC[C@@H](C)C[C@H](C)NC(=O)c1cnc2[nH]ccc(Cl)c1-2 ZINC001153106010 1132590597 /nfs/dbraw/zinc/59/05/97/1132590597.db2.gz MQLWSQAIKNDIQO-ZJUUUORDSA-N 0 1 293.798 3.771 20 0 CHADMN [S-]c1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC001233258674 1132590847 /nfs/dbraw/zinc/59/08/47/1132590847.db2.gz ONKZDNUWAFSXAE-INIZCTEOSA-N 0 1 269.413 3.965 20 0 CHADMN COCOc1cccc(CN2CC[C@@H]2c2ccccc2)c1 ZINC001233282182 1132594646 /nfs/dbraw/zinc/59/46/46/1132594646.db2.gz GJDLWOYVPQGVTO-GOSISDBHSA-N 0 1 283.371 3.616 20 0 CHADMN CCCN(Cc1sncc1C)Cc1ccccc1 ZINC001233321024 1132599139 /nfs/dbraw/zinc/59/91/39/1132599139.db2.gz XEACXDJJLLDHIK-UHFFFAOYSA-N 0 1 260.406 3.864 20 0 CHADMN Cc1cnsc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC001233320587 1132599952 /nfs/dbraw/zinc/59/99/52/1132599952.db2.gz GCTHINHDGZTPQG-CQSZACIVSA-N 0 1 276.380 3.928 20 0 CHADMN CCN(Cc1sncc1C)Cc1ccc(C)cc1 ZINC001233322147 1132601976 /nfs/dbraw/zinc/60/19/76/1132601976.db2.gz UGPXXQREHBJXRB-UHFFFAOYSA-N 0 1 260.406 3.782 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(O)ccc2Br)[C@@H]1C ZINC000133723012 1132604989 /nfs/dbraw/zinc/60/49/89/1132604989.db2.gz MYXKZPTUFRAEOX-GHMZBOCLSA-N 0 1 298.224 3.775 20 0 CHADMN CCN(Cc1cc2cccnc2s1)Cc1ccncc1 ZINC001233344978 1132606208 /nfs/dbraw/zinc/60/62/08/1132606208.db2.gz AMEFIJRZKTTZDN-UHFFFAOYSA-N 0 1 283.400 3.713 20 0 CHADMN c1cc2c(s1)CN(Cc1cc3cccnc3s1)CC2 ZINC001233348061 1132606759 /nfs/dbraw/zinc/60/67/59/1132606759.db2.gz MLAMVAUBGCMSKN-UHFFFAOYSA-N 0 1 286.425 3.916 20 0 CHADMN CSc1cccc(Cl)c1CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC001233352752 1132609331 /nfs/dbraw/zinc/60/93/31/1132609331.db2.gz RLEFCIFEGCDXND-TXEJJXNPSA-N 0 1 298.883 3.586 20 0 CHADMN CCC1CCN(Cc2cn3ccc(Cl)cc3n2)CC1 ZINC001233388707 1132614384 /nfs/dbraw/zinc/61/43/84/1132614384.db2.gz JJDWEVXLZBYNPM-UHFFFAOYSA-N 0 1 277.799 3.610 20 0 CHADMN COc1ccc(CN2CCC3(CCCC3)C2)c(Cl)c1O ZINC001233400224 1132615465 /nfs/dbraw/zinc/61/54/65/1132615465.db2.gz AGGCGLHGNLHHQZ-UHFFFAOYSA-N 0 1 295.810 3.820 20 0 CHADMN CCCCCN(C)Cc1ccc(OC)c(O)c1Cl ZINC001233397728 1132617076 /nfs/dbraw/zinc/61/70/76/1132617076.db2.gz KQCYUVKCDDXZTA-UHFFFAOYSA-N 0 1 271.788 3.676 20 0 CHADMN Clc1cccn2cc(CN3CCC[C@@H]4CCC[C@H]43)nc12 ZINC001233423101 1132620449 /nfs/dbraw/zinc/62/04/49/1132620449.db2.gz HQKRJVWWBRYPSM-SWLSCSKDSA-N 0 1 289.810 3.752 20 0 CHADMN C[C@@H]1CCCN(Cc2cn3cccc(Cl)c3n2)C[C@@H]1C ZINC001233420226 1132620886 /nfs/dbraw/zinc/62/08/86/1132620886.db2.gz DPZMELPSQVGQGO-OLZOCXBDSA-N 0 1 291.826 3.856 20 0 CHADMN c1ccc(OCc2cccc(Nc3ccncc3)c2)cc1 ZINC001173883076 1132623419 /nfs/dbraw/zinc/62/34/19/1132623419.db2.gz FVVKBOVRLLPIDM-UHFFFAOYSA-N 0 1 276.339 3.826 20 0 CHADMN Oc1ccc(-c2ccc(Nc3ccncc3)cc2)cc1 ZINC001173883527 1132624048 /nfs/dbraw/zinc/62/40/48/1132624048.db2.gz LNFSSESKYCDBFR-UHFFFAOYSA-N 0 1 262.312 3.620 20 0 CHADMN Clc1nc2ccc(Nc3ccncc3)cc2s1 ZINC001173883289 1132624065 /nfs/dbraw/zinc/62/40/65/1132624065.db2.gz GECJVTCYJPFTFE-UHFFFAOYSA-N 0 1 261.737 3.510 20 0 CHADMN Clc1cc(Br)cc(Nc2ccncc2)c1 ZINC001173882220 1132624148 /nfs/dbraw/zinc/62/41/48/1132624148.db2.gz CENNOJWNAGDNAX-UHFFFAOYSA-N 0 1 283.556 3.663 20 0 CHADMN Oc1cccc(-c2ccc(Nc3ccncc3)cc2)c1 ZINC001173885324 1132624588 /nfs/dbraw/zinc/62/45/88/1132624588.db2.gz UAVUFGCXCWDUMR-UHFFFAOYSA-N 0 1 262.312 3.620 20 0 CHADMN COc1cc(OC)c(Cl)c(Nc2ccncc2)c1Cl ZINC001173884841 1132625609 /nfs/dbraw/zinc/62/56/09/1132625609.db2.gz UKLFBNVIASANDC-UHFFFAOYSA-N 0 1 299.157 3.571 20 0 CHADMN Cc1cccc2ncc(CNc3ccc4c(n3)CCCC4)n21 ZINC001154943739 1132631944 /nfs/dbraw/zinc/63/19/44/1132631944.db2.gz PONKNSVHJHDGOF-UHFFFAOYSA-N 0 1 292.386 3.529 20 0 CHADMN Cc1cc(F)ccc1Nc1cnc2cccc(C)n12 ZINC001173967145 1132637263 /nfs/dbraw/zinc/63/72/63/1132637263.db2.gz XFAFCKCVGLPQNJ-UHFFFAOYSA-N 0 1 255.296 3.834 20 0 CHADMN CCCC(C)(C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC001155069223 1132639285 /nfs/dbraw/zinc/63/92/85/1132639285.db2.gz FFOJBLHXQSKGLN-UHFFFAOYSA-N 0 1 273.735 3.950 20 0 CHADMN CN(C)Cc1ccccc1Nc1ccc2c(c1)C(=O)CC2 ZINC001173930140 1132642404 /nfs/dbraw/zinc/64/24/04/1132642404.db2.gz RZFGXHRXRNIBTE-UHFFFAOYSA-N 0 1 280.371 3.621 20 0 CHADMN Cc1ccc(CN2CCC2)c(OCc2ccccc2)c1 ZINC001233619491 1132649471 /nfs/dbraw/zinc/64/94/71/1132649471.db2.gz ZWICXHIMOJHQRV-UHFFFAOYSA-N 0 1 267.372 3.780 20 0 CHADMN COc1cccc(Cl)c1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001233671768 1132660397 /nfs/dbraw/zinc/66/03/97/1132660397.db2.gz SJYVUPJNHANGFA-LBPRGKRZSA-N 0 1 283.799 3.600 20 0 CHADMN COc1cccc(Cl)c1O[C@H]1CCCN(C(C)C)C1 ZINC001233671768 1132660399 /nfs/dbraw/zinc/66/03/99/1132660399.db2.gz SJYVUPJNHANGFA-LBPRGKRZSA-N 0 1 283.799 3.600 20 0 CHADMN Brc1cnc2c(N=C3CCCC3)cccn12 ZINC001173996723 1132668389 /nfs/dbraw/zinc/66/83/89/1132668389.db2.gz LSJHUAZICIYTSK-UHFFFAOYSA-N 0 1 278.153 3.577 20 0 CHADMN COC(=O)c1cc(F)c(NC2=CCCC2)c(C)c1F ZINC001173998069 1132670267 /nfs/dbraw/zinc/67/02/67/1132670267.db2.gz DJXFHCQENQQZCD-UHFFFAOYSA-N 0 1 267.275 3.540 20 0 CHADMN COc1ccc(O[C@H](C)CNc2ccc(C)c(C)n2)cc1 ZINC001156076598 1132680756 /nfs/dbraw/zinc/68/07/56/1132680756.db2.gz IVEZQLVYDWMWPK-CYBMUJFWSA-N 0 1 286.375 3.586 20 0 CHADMN O=C(Nc1ccc(C2CCC2)cc1)[C@H]1CCN1C1CCCC1 ZINC001156102175 1132681816 /nfs/dbraw/zinc/68/18/16/1132681816.db2.gz NKZBUEAYODZXTG-GOSISDBHSA-N 0 1 298.430 3.910 20 0 CHADMN CC(C)Oc1ccnc(NCCSCc2ccco2)c1 ZINC001156190972 1132688246 /nfs/dbraw/zinc/68/82/46/1132688246.db2.gz IIFIOHGDAQUYGV-UHFFFAOYSA-N 0 1 292.404 3.807 20 0 CHADMN C[C@@H]1CC(C)(C)c2cccc(NC(=O)[C@H]3CCCN3C)c21 ZINC001156312821 1132689074 /nfs/dbraw/zinc/68/90/74/1132689074.db2.gz JWKISNRBXSSGTM-IUODEOHRSA-N 0 1 286.419 3.504 20 0 CHADMN CCC(C)=CC(=O)Nc1ccccc1Nc1ccncc1 ZINC001156432381 1132696342 /nfs/dbraw/zinc/69/63/42/1132696342.db2.gz RZBAYUCVFWAJOE-OUKQBFOZSA-N 0 1 281.359 3.542 20 0 CHADMN COc1cccc(F)c1CNc1cc(OC(C)C)ccn1 ZINC001156744436 1132709055 /nfs/dbraw/zinc/70/90/55/1132709055.db2.gz PRRKEYHNZGKTLU-UHFFFAOYSA-N 0 1 290.338 3.629 20 0 CHADMN CCOc1ccc2cc(Nc3ccnc(CO)c3)ccc2c1 ZINC001174106836 1132722650 /nfs/dbraw/zinc/72/26/50/1132722650.db2.gz AVWYXGFCIDASSW-UHFFFAOYSA-N 0 1 294.354 3.869 20 0 CHADMN CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc2cncn2c1 ZINC001157396044 1132731273 /nfs/dbraw/zinc/73/12/73/1132731273.db2.gz HCEWFCIUFVSGLM-HNNXBMFYSA-N 0 1 293.370 3.542 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1C(=O)[C@H](N)c1ccc2ccccc2c1 ZINC001157450399 1132731481 /nfs/dbraw/zinc/73/14/81/1132731481.db2.gz AABADEKXAWAWQO-HBUWYVDXSA-N 0 1 296.414 3.629 20 0 CHADMN c1cc(Nc2cccc3cnccc32)n(-c2ccncc2)n1 ZINC001174135576 1132741482 /nfs/dbraw/zinc/74/14/82/1132741482.db2.gz ADGFCSYDTAGHEE-UHFFFAOYSA-N 0 1 287.326 3.559 20 0 CHADMN CC(C)Oc1ccnc(N[C@@H]2CCNc3ccccc32)c1 ZINC001157835596 1132746566 /nfs/dbraw/zinc/74/65/66/1132746566.db2.gz SALRZRMOMKQBGI-MRXNPFEDSA-N 0 1 283.375 3.838 20 0 CHADMN COc1ccnc(NC(C)(C)c2ccc(C)cc2)c1 ZINC001157974341 1132758237 /nfs/dbraw/zinc/75/82/37/1132758237.db2.gz KYRNYOJJGYULOM-UHFFFAOYSA-N 0 1 256.349 3.746 20 0 CHADMN Cc1ccc([C@@H](C)Nc2cc(OC(C)C)ccn2)nc1 ZINC001158019975 1132761348 /nfs/dbraw/zinc/76/13/48/1132761348.db2.gz PZOCOPGYFKILLF-CYBMUJFWSA-N 0 1 271.364 3.745 20 0 CHADMN CC[C@H](C)N1CCN(C(=O)CCCCCC(C)C)CC1 ZINC001158144421 1132764232 /nfs/dbraw/zinc/76/42/32/1132764232.db2.gz HQNKYINSAZOMLS-INIZCTEOSA-N 0 1 282.472 3.536 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(C(=O)c2ccccc2)cc1 ZINC001174222526 1132765674 /nfs/dbraw/zinc/76/56/74/1132765674.db2.gz UYKKODCGAUKJSA-UHFFFAOYSA-N 0 1 291.354 3.703 20 0 CHADMN Cc1nc2cc(Nc3ccc4nccn4c3)ccc2o1 ZINC001174279154 1132768704 /nfs/dbraw/zinc/76/87/04/1132768704.db2.gz QHNOKRODLQRSCE-UHFFFAOYSA-N 0 1 264.288 3.528 20 0 CHADMN c1cn2cc(Nc3ccc(-c4cnco4)cc3)ccc2n1 ZINC001174279125 1132769003 /nfs/dbraw/zinc/76/90/03/1132769003.db2.gz OPVJGFHLXHTVNI-UHFFFAOYSA-N 0 1 276.299 3.733 20 0 CHADMN O=C1CCCc2cccc(Nc3ccc4nccn4c3)c21 ZINC001174280606 1132769978 /nfs/dbraw/zinc/76/99/78/1132769978.db2.gz ZODUAWIDUCJALE-UHFFFAOYSA-N 0 1 277.327 3.597 20 0 CHADMN CCN(C)c1cc(C)nc(N[C@@H]2C[C@H](C)c3ccccc32)n1 ZINC001158466100 1132776754 /nfs/dbraw/zinc/77/67/54/1132776754.db2.gz CVQCFZMVMSORRN-BLLLJJGKSA-N 0 1 296.418 3.902 20 0 CHADMN Oc1c(Cl)c(Cl)c(Cl)cc1Nc1cn[nH]c1 ZINC001174299129 1132778763 /nfs/dbraw/zinc/77/87/63/1132778763.db2.gz DADFTVCKAOMXAW-UHFFFAOYSA-N 0 1 278.526 3.819 20 0 CHADMN Cc1cccc2ncc(Nc3cccc(-n4cccn4)c3)n21 ZINC001174298647 1132779136 /nfs/dbraw/zinc/77/91/36/1132779136.db2.gz MYBRVHSLBGRGNI-UHFFFAOYSA-N 0 1 289.342 3.572 20 0 CHADMN Cc1cnc(N[C@@H]2C[C@H](C)c3ccccc32)c(N)c1 ZINC001158474800 1132780419 /nfs/dbraw/zinc/78/04/19/1132780419.db2.gz UMKDKBAZRNRCAK-XHDPSFHLSA-N 0 1 253.349 3.633 20 0 CHADMN Cc1cc2ccccc2c(N[C@@H](C)c2cnccn2)n1 ZINC001158596791 1132784230 /nfs/dbraw/zinc/78/42/30/1132784230.db2.gz LHQCNUGCKWBWDJ-LBPRGKRZSA-N 0 1 264.332 3.506 20 0 CHADMN Cc1c(C)n(-c2ccc3n[nH]cc3c2)c2c1cccc2N ZINC001174275911 1132784481 /nfs/dbraw/zinc/78/44/81/1132784481.db2.gz KSGFNTSGZPQIFT-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN c1cn2cc(Nc3cnc4ccsc4c3)ccc2n1 ZINC001174278858 1132785458 /nfs/dbraw/zinc/78/54/58/1132785458.db2.gz PEOSPMHHCYLIGM-UHFFFAOYSA-N 0 1 266.329 3.688 20 0 CHADMN CCOc1ccc(Nc2ccc3nccn3c2)cc1OCC ZINC001174277616 1132785494 /nfs/dbraw/zinc/78/54/94/1132785494.db2.gz JDSXYMDJGGNNAF-UHFFFAOYSA-N 0 1 297.358 3.875 20 0 CHADMN COc1ccc2ncc(Nc3ccc4nccn4c3)cc2c1 ZINC001174277704 1132786191 /nfs/dbraw/zinc/78/61/91/1132786191.db2.gz CAOGCAMOQJGBBV-UHFFFAOYSA-N 0 1 290.326 3.635 20 0 CHADMN c1cn2cc(Nc3cccc(-c4cnco4)c3)ccc2n1 ZINC001174278819 1132787430 /nfs/dbraw/zinc/78/74/30/1132787430.db2.gz JRUITQASTAXECQ-UHFFFAOYSA-N 0 1 276.299 3.733 20 0 CHADMN CC(C)(C)c1nnc(Nc2ccc(C(F)(F)F)nc2)o1 ZINC001174309384 1132789440 /nfs/dbraw/zinc/78/94/40/1132789440.db2.gz MUMACFJOPAMTNL-UHFFFAOYSA-N 0 1 286.257 3.525 20 0 CHADMN O=c1cccc2[nH]cc(Nc3cccc4[nH]ncc43)cc1-2 ZINC001174342508 1132799911 /nfs/dbraw/zinc/79/99/11/1132799911.db2.gz COJOEMJTSCGWQI-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN c1n[nH]c2cccc(Nc3cc(C4CCC4)no3)c12 ZINC001174342234 1132800320 /nfs/dbraw/zinc/80/03/20/1132800320.db2.gz HCMOAJVHTKWLEY-UHFFFAOYSA-N 0 1 254.293 3.562 20 0 CHADMN Cc1cc(=O)oc2cc(Nc3cccc4[nH]ncc43)ccc12 ZINC001174343685 1132800642 /nfs/dbraw/zinc/80/06/42/1132800642.db2.gz FEEIVZNBYWTVFR-UHFFFAOYSA-N 0 1 291.310 3.721 20 0 CHADMN c1nc2cccc(Nc3cccc4[nH]ncc43)c2s1 ZINC001174344080 1132800945 /nfs/dbraw/zinc/80/09/45/1132800945.db2.gz MJXGBQXHUZDYMH-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN c1n[nH]c2cccc(Nc3cncc(-c4ccccn4)c3)c12 ZINC001174344491 1132801614 /nfs/dbraw/zinc/80/16/14/1132801614.db2.gz DAHKZUAJQUFQPK-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN C[C@H]1CCc2cc(N)ccc2N1c1cccc2[nH]ncc21 ZINC001174344561 1132803541 /nfs/dbraw/zinc/80/35/41/1132803541.db2.gz GRFDDTIHILOJBB-NSHDSACASA-N 0 1 278.359 3.618 20 0 CHADMN CC1(C)c2ccc(Nc3cccc4[nH]ncc43)cc2NC1=O ZINC001174345885 1132803800 /nfs/dbraw/zinc/80/38/00/1132803800.db2.gz ZAZWKOCDSXJMAG-UHFFFAOYSA-N 0 1 292.342 3.536 20 0 CHADMN c1n[nH]c2cccc(Nc3cccc4cnccc43)c12 ZINC001174344919 1132803952 /nfs/dbraw/zinc/80/39/52/1132803952.db2.gz UDEHZUJSRAKRDW-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN COc1c(F)ccc(Nc2cccc3[nH]ncc32)c1F ZINC001174345433 1132804511 /nfs/dbraw/zinc/80/45/11/1132804511.db2.gz AKRYSIMVNFAJFH-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN CCc1ccc(Nc2cccc3[nH]ncc32)c(O)c1 ZINC001174345796 1132804799 /nfs/dbraw/zinc/80/47/99/1132804799.db2.gz TUMYMOFHGHYCFA-UHFFFAOYSA-N 0 1 253.305 3.575 20 0 CHADMN CCOC(=O)c1ccc(Nc2cccc3[nH]ncc32)c(F)c1 ZINC001174345131 1132804963 /nfs/dbraw/zinc/80/49/63/1132804963.db2.gz ZQMYGFCMYCSXIX-UHFFFAOYSA-N 0 1 299.305 3.622 20 0 CHADMN Cc1cc(Nc2cccc3[nH]ncc32)cc(F)c1F ZINC001174346991 1132805326 /nfs/dbraw/zinc/80/53/26/1132805326.db2.gz FXGOOJXAAMBVND-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN CCOc1cccc(F)c1Nc1cccc2[nH]ncc21 ZINC001174348251 1132805918 /nfs/dbraw/zinc/80/59/18/1132805918.db2.gz UIQQRHVSROIBIP-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN c1coc(-c2ccc(Nc3cccc4[nH]ncc43)cc2)n1 ZINC001174347210 1132806011 /nfs/dbraw/zinc/80/60/11/1132806011.db2.gz JJGPSAPDQDUTLS-UHFFFAOYSA-N 0 1 276.299 3.962 20 0 CHADMN CCC(=O)c1ccccc1Nc1cccc2[nH]ncc21 ZINC001174347873 1132806492 /nfs/dbraw/zinc/80/64/92/1132806492.db2.gz OADMQEVSKFIEMP-UHFFFAOYSA-N 0 1 265.316 3.899 20 0 CHADMN c1oc2ccccc2c1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159313566 1132829465 /nfs/dbraw/zinc/82/94/65/1132829465.db2.gz QSODPGSWYXFWNR-LBPRGKRZSA-N 0 1 283.331 3.979 20 0 CHADMN COc1cc(C)cc(Nc2cc([C@H]3CCCCN3)no2)c1 ZINC001159313954 1132830252 /nfs/dbraw/zinc/83/02/52/1132830252.db2.gz WRZNSZXJNHOQEK-CQSZACIVSA-N 0 1 287.363 3.550 20 0 CHADMN Cc1c(F)c(F)ccc1Nc1cc([C@H]2CCCCN2)no1 ZINC001159313525 1132830469 /nfs/dbraw/zinc/83/04/69/1132830469.db2.gz QBEWAEURNJWPCX-GFCCVEGCSA-N 0 1 293.317 3.819 20 0 CHADMN Cc1cccc2ncc(Nc3ccc4c(c3)CCCN4)n21 ZINC001159364797 1132833182 /nfs/dbraw/zinc/83/31/82/1132833182.db2.gz YCFRFWTYMYJLAC-UHFFFAOYSA-N 0 1 278.359 3.744 20 0 CHADMN Cc1cc(Nc2nnc(C(C)(C)C)o2)c(C)s1 ZINC001174420429 1132837213 /nfs/dbraw/zinc/83/72/13/1132837213.db2.gz DRFDHQXSRBYIAY-UHFFFAOYSA-N 0 1 251.355 3.789 20 0 CHADMN Cc1cc2nsnc2cc1Nc1ccc2c[nH]nc2c1 ZINC001174500127 1132857674 /nfs/dbraw/zinc/85/76/74/1132857674.db2.gz AOCZNFBZRXQKHM-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN FC(F)(F)Oc1cccnc1Nc1ccc2cn[nH]c2c1 ZINC001174497965 1132863533 /nfs/dbraw/zinc/86/35/33/1132863533.db2.gz DRUSUHVAPHLTAH-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN CC(=O)c1oc2cccnc2c1Nc1ccc2c[nH]nc2c1 ZINC001174498869 1132863598 /nfs/dbraw/zinc/86/35/98/1132863598.db2.gz UJUCOSIGNGMZIA-UHFFFAOYSA-N 0 1 292.298 3.650 20 0 CHADMN c1n[nH]c2cc(Nc3cccc(C4CC4)n3)ccc12 ZINC001174498966 1132863760 /nfs/dbraw/zinc/86/37/60/1132863760.db2.gz OLQGCWLQKVWRBA-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN Cc1cc(Cl)nc(Nc2ccc3cn[nH]c3c2)c1 ZINC001174498745 1132863881 /nfs/dbraw/zinc/86/38/81/1132863881.db2.gz QUIHMOFPLMXHNG-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1cc(Cl)ncc1Nc1ccc2c[nH]nc2c1 ZINC001174497866 1132863983 /nfs/dbraw/zinc/86/39/83/1132863983.db2.gz NIYCGHJASDTJSN-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Fc1cc(C(F)(F)F)cnc1Nc1ccc2cn[nH]c2c1 ZINC001174498162 1132864578 /nfs/dbraw/zinc/86/45/78/1132864578.db2.gz YAKCUXHKTMIEIL-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN CCOc1ccc(OC)cc1Nc1cccc2[nH]ncc21 ZINC001159574479 1132864862 /nfs/dbraw/zinc/86/48/62/1132864862.db2.gz UBJMQIZWBRULNG-UHFFFAOYSA-N 0 1 283.331 3.714 20 0 CHADMN c1n[nH]c2cccc(Nc3ccccc3OC3CC3)c12 ZINC001159574914 1132864912 /nfs/dbraw/zinc/86/49/12/1132864912.db2.gz QGWKUZNAWZSJFA-UHFFFAOYSA-N 0 1 265.316 3.848 20 0 CHADMN COc1cc(C)c(C)cc1Nc1cccc2[nH]ncc21 ZINC001159574671 1132865521 /nfs/dbraw/zinc/86/55/21/1132865521.db2.gz KNNMHEVCXMIOBF-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN CCOC(=O)c1ccc(Nc2cccc3[nH]ncc32)cc1C ZINC001159574782 1132865711 /nfs/dbraw/zinc/86/57/11/1132865711.db2.gz LYEJEFYLBJHJBY-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN CCOC(=O)C[C@H]1CC[C@H](Nc2ccc(C)c(C)n2)CC1 ZINC001159605185 1132872860 /nfs/dbraw/zinc/87/28/60/1132872860.db2.gz MTDSDVFARWGOPT-SHTZXODSSA-N 0 1 290.407 3.622 20 0 CHADMN CC(=O)c1cccc(Nc2ccc3c[nH]nc3c2)c1 ZINC001174499864 1132873686 /nfs/dbraw/zinc/87/36/86/1132873686.db2.gz DFUHKJRWKKYCPY-UHFFFAOYSA-N 0 1 251.289 3.509 20 0 CHADMN [O-]c1ccc(F)c(Nc2ccc3c(c2)C[NH2+]CC3)c1Cl ZINC001159616048 1132875969 /nfs/dbraw/zinc/87/59/69/1132875969.db2.gz YJIGNGXXYRROEP-UHFFFAOYSA-N 0 1 292.741 3.574 20 0 CHADMN Cc1cc2ccccc2c(NCc2cccc3ccnn32)n1 ZINC001159617854 1132876168 /nfs/dbraw/zinc/87/61/68/1132876168.db2.gz MRPRFDLDMOOBID-UHFFFAOYSA-N 0 1 288.354 3.803 20 0 CHADMN CN(C)Cc1cccc(Nc2c(N)cccc2Cl)c1F ZINC001159623222 1132877395 /nfs/dbraw/zinc/87/73/95/1132877395.db2.gz CBYFUVSDGGOWDV-UHFFFAOYSA-N 0 1 293.773 3.867 20 0 CHADMN Cc1nc2cc(Nc3c(N)cccc3Cl)ccc2[nH]1 ZINC001159620734 1132878198 /nfs/dbraw/zinc/87/81/98/1132878198.db2.gz XJPOZDZWDQUARJ-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1ccc([C@H](C)Nc2ncc(C)cc2N)c(C)c1 ZINC001159633101 1132878856 /nfs/dbraw/zinc/87/88/56/1132878856.db2.gz QMUWYMVAPRTVIN-ZDUSSCGKSA-N 0 1 255.365 3.762 20 0 CHADMN Cc1c[nH+]ccc1Nc1c(Cl)ccc([O-])c1Cl ZINC001174539478 1132900531 /nfs/dbraw/zinc/90/05/31/1132900531.db2.gz HMUJSVKGBQMTJA-UHFFFAOYSA-N 0 1 269.131 3.568 20 0 CHADMN Cc1ccc(Nc2ccc3c[nH]nc3c2)c(F)c1F ZINC001159662095 1132885018 /nfs/dbraw/zinc/88/50/18/1132885018.db2.gz QSOUNKRAUUBWPH-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN CCCC=Nc1nnc(Cl)cc1-c1ccncc1 ZINC001159662116 1132886100 /nfs/dbraw/zinc/88/61/00/1132886100.db2.gz GVZVHWDASJCEBE-ZZXKWVIFSA-N 0 1 260.728 3.528 20 0 CHADMN Cc1c(F)cc(Nc2ccc3c[nH]nc3c2)cc1F ZINC001159663145 1132886440 /nfs/dbraw/zinc/88/64/40/1132886440.db2.gz QZYBMYCQQRDTAY-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN COC(=O)c1cc(F)c(C)c(Nc2ccc3c[nH]nc3c2)c1 ZINC001174501130 1132902320 /nfs/dbraw/zinc/90/23/20/1132902320.db2.gz WDHCTMYQERSZGK-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN CCOC(=O)c1ccc(Nc2ccc3c[nH]nc3c2)cc1F ZINC001174501126 1132902379 /nfs/dbraw/zinc/90/23/79/1132902379.db2.gz VWJMDXDXWNATJD-UHFFFAOYSA-N 0 1 299.305 3.622 20 0 CHADMN Fc1cnc2c(cccc2Nc2ccc3c[nH]nc3c2)c1 ZINC001174500687 1132902482 /nfs/dbraw/zinc/90/24/82/1132902482.db2.gz OBULDBNRJNZVDD-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN CO[C@H]1CCOc2c(Nc3ccc4c[nH]nc4c3)cccc21 ZINC001174500838 1132902535 /nfs/dbraw/zinc/90/25/35/1132902535.db2.gz RFNRLRPTPGVPGR-INIZCTEOSA-N 0 1 295.342 3.777 20 0 CHADMN Cc1nc(-c2ccc(Nc3ccc4c[nH]nc4c3)cc2)no1 ZINC001174501496 1132902740 /nfs/dbraw/zinc/90/27/40/1132902740.db2.gz WCYMHVPOYAHFJQ-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Nc1cc(Cl)cc(Nc2ccc3c[nH]nc3c2)c1 ZINC001174501185 1132903334 /nfs/dbraw/zinc/90/33/34/1132903334.db2.gz YEGYFGJMRNBEPH-UHFFFAOYSA-N 0 1 258.712 3.542 20 0 CHADMN CCc1cccc(O)c1Nc1ccc2c[nH]nc2c1 ZINC001174502548 1132904281 /nfs/dbraw/zinc/90/42/81/1132904281.db2.gz UUCRFZGNCYUSCE-UHFFFAOYSA-N 0 1 253.305 3.575 20 0 CHADMN c1ncc(-c2ccc(Nc3ccc4c[nH]nc4c3)cc2)o1 ZINC001174502228 1132904440 /nfs/dbraw/zinc/90/44/40/1132904440.db2.gz WIPHFIYTDGNKKY-UHFFFAOYSA-N 0 1 276.299 3.962 20 0 CHADMN CC(C)Oc1ccnc(NC(C)(C)c2ccncc2)c1 ZINC001160310766 1132960042 /nfs/dbraw/zinc/96/00/42/1132960042.db2.gz ARFLDLUTPGBZGU-UHFFFAOYSA-N 0 1 271.364 3.611 20 0 CHADMN Clc1ncsc1CN1CCC[C@H](C2CCC2)C1 ZINC001174704802 1132960036 /nfs/dbraw/zinc/96/00/36/1132960036.db2.gz KWHYNXXHIRDMNP-NSHDSACASA-N 0 1 270.829 3.809 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@H](C2CCC2)C1 ZINC001174705562 1132960282 /nfs/dbraw/zinc/96/02/82/1132960282.db2.gz VZCKPTDJPUPGFA-ZDUSSCGKSA-N 0 1 265.347 3.977 20 0 CHADMN Cc1cccc([C@H](C)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC001174723757 1132966127 /nfs/dbraw/zinc/96/61/27/1132966127.db2.gz FGILXBIHINKYGJ-DVOMOZLQSA-N 0 1 283.362 3.801 20 0 CHADMN CCCCN(Cc1ccccc1)C(=O)[C@H](N)c1ccccc1 ZINC001160429119 1132970064 /nfs/dbraw/zinc/97/00/64/1132970064.db2.gz YKITVYFNWXXDSR-GOSISDBHSA-N 0 1 296.414 3.515 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CCCC[C@H]3C)n2)cc1 ZINC001160501430 1132973266 /nfs/dbraw/zinc/97/32/66/1132973266.db2.gz LBCIZQXCORTAJD-OCCSQVGLSA-N 0 1 298.390 3.545 20 0 CHADMN COc1cc(C)c(CNc2ccc(C)c(C)n2)cc1C ZINC001160777173 1132981957 /nfs/dbraw/zinc/98/19/57/1132981957.db2.gz KMTOJKRZJONUPA-UHFFFAOYSA-N 0 1 270.376 3.936 20 0 CHADMN Cc1noc2ccc(CNc3ccc(C)c(C)n3)cc12 ZINC001160864603 1132985259 /nfs/dbraw/zinc/98/52/59/1132985259.db2.gz BKOUUKZNVKMTBZ-UHFFFAOYSA-N 0 1 267.332 3.760 20 0 CHADMN Cc1cccc2ccnc(NCc3cccc(CCO)c3)c12 ZINC001161017864 1132990140 /nfs/dbraw/zinc/99/01/40/1132990140.db2.gz DYCKEJQZCRVXCB-UHFFFAOYSA-N 0 1 292.382 3.690 20 0 CHADMN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 ZINC001161190855 1132995712 /nfs/dbraw/zinc/99/57/12/1132995712.db2.gz CBOCFUTUGGUGEO-GVDBMIGSSA-N 0 1 294.483 3.582 20 0 CHADMN CC1(C)C[C@H](CNc2ccc3c(n2)CCCC3)CCO1 ZINC001161424746 1133000941 /nfs/dbraw/zinc/00/09/41/1133000941.db2.gz IVEXQOKMDXDNKY-CYBMUJFWSA-N 0 1 274.408 3.578 20 0 CHADMN Cc1ccccc1CNc1cc(OC(F)F)ccn1 ZINC001161624394 1133012213 /nfs/dbraw/zinc/01/22/13/1133012213.db2.gz ZEPLMCLDGXODHJ-UHFFFAOYSA-N 0 1 264.275 3.604 20 0 CHADMN CC(C)OCCNc1ccnc(C2(C(F)(F)F)CC2)c1 ZINC001161794686 1133029513 /nfs/dbraw/zinc/02/95/13/1133029513.db2.gz JGVRWMDHJRXHPQ-UHFFFAOYSA-N 0 1 288.313 3.512 20 0 CHADMN Cc1ccc2c(ccnc2NCCC(F)(F)F)c1 ZINC001161819823 1133032014 /nfs/dbraw/zinc/03/20/14/1133032014.db2.gz HLNLPERKTMACBT-UHFFFAOYSA-N 0 1 254.255 3.908 20 0 CHADMN Cn1ccc2cc(CNc3ccnc4c3ccn4C)ccc21 ZINC001162172503 1133057021 /nfs/dbraw/zinc/05/70/21/1133057021.db2.gz GFJNEYQUELBMNK-UHFFFAOYSA-N 0 1 290.370 3.677 20 0 CHADMN CCCCNc1nccc(NC(=O)C(C)(C)C)c1C ZINC001162201015 1133058792 /nfs/dbraw/zinc/05/87/92/1133058792.db2.gz CGEJDMCANDLLCQ-UHFFFAOYSA-N 0 1 263.385 3.587 20 0 CHADMN Cc1cnc(N[C@@H](C)c2cccc(N(C)C)c2)c(C)c1 ZINC001162630328 1133095502 /nfs/dbraw/zinc/09/55/02/1133095502.db2.gz HFGIQENBJOQKDR-AWEZNQCLSA-N 0 1 269.392 3.938 20 0 CHADMN CCOc1ccnc(N[C@@H](C)c2cccc(N(C)C)c2)c1 ZINC001162630706 1133095872 /nfs/dbraw/zinc/09/58/72/1133095872.db2.gz PYQTYRPSPNVACY-ZDUSSCGKSA-N 0 1 285.391 3.719 20 0 CHADMN C[C@H](Nc1ccc2c(n1)CCC2)c1cccc(N(C)C)c1 ZINC001162630355 1133095923 /nfs/dbraw/zinc/09/59/23/1133095923.db2.gz IKGWACYZFJPJPV-ZDUSSCGKSA-N 0 1 281.403 3.809 20 0 CHADMN CCC[C@@H](Nc1ncc2nc(C)[nH]c2n1)c1ccc(C)cc1 ZINC001162628027 1133096281 /nfs/dbraw/zinc/09/62/81/1133096281.db2.gz QUDVVCNCHPHTJB-CQSZACIVSA-N 0 1 295.390 3.875 20 0 CHADMN Cc1cnc(N[C@@H](C)c2cccc(N(C)C)c2)cc1C ZINC001162632046 1133097288 /nfs/dbraw/zinc/09/72/88/1133097288.db2.gz CITYIIGEMMYJSR-AWEZNQCLSA-N 0 1 269.392 3.938 20 0 CHADMN Cc1cccc2ccnc(NCc3cnc(Cl)cn3)c12 ZINC001162656530 1133100702 /nfs/dbraw/zinc/10/07/02/1133100702.db2.gz DYVBQKGZIDKWMU-UHFFFAOYSA-N 0 1 284.750 3.599 20 0 CHADMN CCOc1ccnc(NCc2cncc3ccccc32)c1 ZINC001162747911 1133107991 /nfs/dbraw/zinc/10/79/91/1133107991.db2.gz USQNTGMOVHKZID-UHFFFAOYSA-N 0 1 279.343 3.641 20 0 CHADMN COC(=O)c1ccc(C2(Nc3nccc(C)c3C)CC2)cc1 ZINC001162859054 1133117243 /nfs/dbraw/zinc/11/72/43/1133117243.db2.gz GFMPRVYHYUNTCO-UHFFFAOYSA-N 0 1 296.370 3.586 20 0 CHADMN Cc1ccc(CNc2cc(OC(C)(C)C)ccn2)cn1 ZINC001162875898 1133118006 /nfs/dbraw/zinc/11/80/06/1133118006.db2.gz FTCBFQGHTFVZTC-UHFFFAOYSA-N 0 1 271.364 3.574 20 0 CHADMN C[C@@H]1CCN(c2ccncc2C(F)(F)F)CC1(C)C ZINC001163019727 1133126934 /nfs/dbraw/zinc/12/69/34/1133126934.db2.gz SWGRJXDDMURXRZ-SNVBAGLBSA-N 0 1 272.314 3.973 20 0 CHADMN CCOc1ccnc(N[C@@H](C)c2cccc(F)c2OC)c1 ZINC001163334703 1133142993 /nfs/dbraw/zinc/14/29/93/1133142993.db2.gz JSDUIBVYMVFGCG-NSHDSACASA-N 0 1 290.338 3.801 20 0 CHADMN Cc1cc2ccccc2c(N2CC3(C2)CC(F)(F)C3)n1 ZINC001163747363 1133171038 /nfs/dbraw/zinc/17/10/38/1133171038.db2.gz UVKUBCVHSYBPQY-UHFFFAOYSA-N 0 1 274.314 3.779 20 0 CHADMN COc1ccccc1[C@@H]1CCN(c2ccc(C)c(C)n2)C1 ZINC001163807489 1133176799 /nfs/dbraw/zinc/17/67/99/1133176799.db2.gz SPHADGALJAHLHZ-OAHLLOKOSA-N 0 1 282.387 3.701 20 0 CHADMN c1cn(Cc2ccccc2)c2ccnc(N3CCCCO3)c12 ZINC001163926851 1133184442 /nfs/dbraw/zinc/18/44/42/1133184442.db2.gz APJXPNPZYUQRTK-UHFFFAOYSA-N 0 1 293.370 3.616 20 0 CHADMN Cc1nc2cc(NCc3cc4ccccc4n3C)ccc2[nH]1 ZINC001163933469 1133185708 /nfs/dbraw/zinc/18/57/08/1133185708.db2.gz GUMOSICOYBGNOP-UHFFFAOYSA-N 0 1 290.370 3.975 20 0 CHADMN Cn1ccc2c1nccc2NCCSCc1ccco1 ZINC001164226589 1133208663 /nfs/dbraw/zinc/20/86/63/1133208663.db2.gz BCWKGPGGFBULDX-UHFFFAOYSA-N 0 1 287.388 3.512 20 0 CHADMN Cc1ccc2nc(SC[C@@H]3CC4(CCC4)CO3)[nH]c2c1 ZINC001164572050 1133223513 /nfs/dbraw/zinc/22/35/13/1133223513.db2.gz BWQSKZPNPYMILL-LBPRGKRZSA-N 0 1 288.416 3.923 20 0 CHADMN CC(C)(C)c1n[nH]c(SC[C@@H]2C[C@@H]3C=C[C@H]2CC3)n1 ZINC001165488895 1133243045 /nfs/dbraw/zinc/24/30/45/1133243045.db2.gz XABVJVNGYJWPIV-WOPDTQHZSA-N 0 1 277.437 3.797 20 0 CHADMN CC(C)(C)c1nc(SC[C@@H]2C[C@@H]3C=C[C@H]2CC3)n[nH]1 ZINC001165488895 1133243050 /nfs/dbraw/zinc/24/30/50/1133243050.db2.gz XABVJVNGYJWPIV-WOPDTQHZSA-N 0 1 277.437 3.797 20 0 CHADMN CC(C)CNCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000060059510 1133283554 /nfs/dbraw/zinc/28/35/54/1133283554.db2.gz XYLIAPCZKZELAG-UHFFFAOYSA-N 0 1 299.296 3.501 20 0 CHADMN Cc1ccc(N(Cc2ccccc2)C2CCOCC2)nc1C ZINC001166811936 1133289250 /nfs/dbraw/zinc/28/92/50/1133289250.db2.gz GRBAOENQVXKTGI-UHFFFAOYSA-N 0 1 296.414 3.884 20 0 CHADMN Cc1nc2ccc(NCc3ccccc3C3CC3)nc2[nH]1 ZINC001167038922 1133300788 /nfs/dbraw/zinc/30/07/88/1133300788.db2.gz ADHBRUOVPQTKMR-UHFFFAOYSA-N 0 1 278.359 3.756 20 0 CHADMN CCc1cc(CN2CCC[C@H]2c2ccc(OC)cc2)on1 ZINC001203221506 1133306438 /nfs/dbraw/zinc/30/64/38/1133306438.db2.gz XXAYPEZUJKNUMK-KRWDZBQOSA-N 0 1 286.375 3.583 20 0 CHADMN CCc1cc(CN(CC)Cc2ccc(C)c(C)c2)on1 ZINC001203229611 1133307758 /nfs/dbraw/zinc/30/77/58/1133307758.db2.gz YZXVWJAWPCNZQL-UHFFFAOYSA-N 0 1 272.392 3.876 20 0 CHADMN Cc1cc(CN[C@]2(c3ccccc3)CC2(C)C)cnc1F ZINC001203248023 1133308472 /nfs/dbraw/zinc/30/84/72/1133308472.db2.gz BCLXHWSJYLKZSM-SFHVURJKSA-N 0 1 284.378 3.944 20 0 CHADMN CC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccc(C)o1 ZINC001203301723 1133312110 /nfs/dbraw/zinc/31/21/10/1133312110.db2.gz PNQPUTGHVMCSMI-SFHVURJKSA-N 0 1 298.430 3.684 20 0 CHADMN Cc1ccc(CN2Cc3ccccc3C(C)(C)C2)o1 ZINC001203301267 1133312311 /nfs/dbraw/zinc/31/23/11/1133312311.db2.gz GJSYTUIRNPBWSE-UHFFFAOYSA-N 0 1 255.361 3.881 20 0 CHADMN O=C(c1ccccc1)[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001203359546 1133317592 /nfs/dbraw/zinc/31/75/92/1133317592.db2.gz CTXGCBLUUHFJAW-MRXNPFEDSA-N 0 1 283.346 3.531 20 0 CHADMN CC(C)N(CCCCCO)Cc1c(F)cccc1Cl ZINC001203410098 1133323741 /nfs/dbraw/zinc/32/37/41/1133323741.db2.gz CWVMMCAMMQMUJE-UHFFFAOYSA-N 0 1 287.806 3.852 20 0 CHADMN Cc1cc(CNc2nc3cc(C)ccc3[nH]2)c(C)o1 ZINC001203470368 1133331214 /nfs/dbraw/zinc/33/12/14/1133331214.db2.gz GLOPICMCNLVFBX-UHFFFAOYSA-N 0 1 255.321 3.693 20 0 CHADMN COc1ccc(CN2Cc3ccccc3C[C@H]2C)c(OC)c1 ZINC001203482602 1133332472 /nfs/dbraw/zinc/33/24/72/1133332472.db2.gz ZDOKRLYGKWSAEZ-CQSZACIVSA-N 0 1 297.398 3.651 20 0 CHADMN COc1ccc2c(c1)nccc2-n1ccc2cc(N)ccc21 ZINC001203525264 1133334901 /nfs/dbraw/zinc/33/49/01/1133334901.db2.gz ZQWIVWCSFZYYPI-UHFFFAOYSA-N 0 1 289.338 3.770 20 0 CHADMN CCOc1ccncc1Nc1ccnc2cc(OC)ccc21 ZINC001203524396 1133334986 /nfs/dbraw/zinc/33/49/86/1133334986.db2.gz ZIBCOOAERPCCCA-UHFFFAOYSA-N 0 1 295.342 3.781 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(O)cc1 ZINC001203525035 1133335679 /nfs/dbraw/zinc/33/56/79/1133335679.db2.gz NFIGJIYRBQHDBN-UHFFFAOYSA-N 0 1 266.300 3.693 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(F)ccc1O ZINC001203526079 1133337122 /nfs/dbraw/zinc/33/71/22/1133337122.db2.gz LIJBKROQZSCDDR-UHFFFAOYSA-N 0 1 284.290 3.832 20 0 CHADMN CCOc1ccccc1CN1CC2(C1)CCCCC2 ZINC001203543581 1133338899 /nfs/dbraw/zinc/33/88/99/1133338899.db2.gz BHXSPWMAZUHVME-UHFFFAOYSA-N 0 1 259.393 3.851 20 0 CHADMN Cc1ccc(F)c(CNCc2ccc(O)c(Cl)c2)c1 ZINC001203559424 1133340297 /nfs/dbraw/zinc/34/02/97/1133340297.db2.gz KLISBRKXQZCAPV-UHFFFAOYSA-N 0 1 279.742 3.783 20 0 CHADMN COCc1csc(CNc2ccc3c(n2)CCCC3)c1 ZINC001203565926 1133340612 /nfs/dbraw/zinc/34/06/12/1133340612.db2.gz MKPPTNLKJQZXRZ-UHFFFAOYSA-N 0 1 288.416 3.780 20 0 CHADMN Cc1nc(F)ccc1CNc1nc2ccc(Cl)cc2[nH]1 ZINC001203573347 1133341627 /nfs/dbraw/zinc/34/16/27/1133341627.db2.gz YZWAFRJWFFHDBA-UHFFFAOYSA-N 0 1 290.729 3.671 20 0 CHADMN Cc1cc(C)c(CN2CC[C@](C)(F)[C@H](F)C2)c(C)c1 ZINC001203742784 1133363893 /nfs/dbraw/zinc/36/38/93/1133363893.db2.gz NESLWIUBBIXAMM-CVEARBPZSA-N 0 1 267.363 3.884 20 0 CHADMN Cc1ccc(CN2CC[C@@](C)(F)[C@H](F)C2)c(C)c1 ZINC001203730270 1133361009 /nfs/dbraw/zinc/36/10/09/1133361009.db2.gz YRMCIYHKCOIDMP-HUUCEWRRSA-N 0 1 253.336 3.575 20 0 CHADMN Cc1ccc(C)c(CN2CC[C@](C)(F)[C@H](F)C2)c1 ZINC001203742371 1133363454 /nfs/dbraw/zinc/36/34/54/1133363454.db2.gz CQLONCUJGWOBBD-CABCVRRESA-N 0 1 253.336 3.575 20 0 CHADMN Cc1cc(C)c(CN2CC[C@@](C)(F)[C@H](F)C2)c(C)c1 ZINC001203742786 1133364321 /nfs/dbraw/zinc/36/43/21/1133364321.db2.gz NESLWIUBBIXAMM-HZPDHXFCSA-N 0 1 267.363 3.884 20 0 CHADMN CN(Cc1cccc(Br)c1)C1CC(F)(F)C1 ZINC001203765007 1133366880 /nfs/dbraw/zinc/36/68/80/1133366880.db2.gz RQQIYEKFDHNDDI-UHFFFAOYSA-N 0 1 290.151 3.679 20 0 CHADMN COc1cccc(CN2CCC[C@@H]2c2ccc(C)nc2)c1 ZINC001203826109 1133373931 /nfs/dbraw/zinc/37/39/31/1133373931.db2.gz QPDZGPJQPAHOPF-GOSISDBHSA-N 0 1 282.387 3.736 20 0 CHADMN CCCO[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC001203885601 1133379408 /nfs/dbraw/zinc/37/94/08/1133379408.db2.gz AJQLEYLLUMNMIU-AWEZNQCLSA-N 0 1 287.325 3.706 20 0 CHADMN FC(F)(F)c1cccc(CN2CC[C@H]3CCCO[C@H]3C2)c1 ZINC001203884578 1133380101 /nfs/dbraw/zinc/38/01/01/1133380101.db2.gz CYYUJCMCQZQGHF-HIFRSBDPSA-N 0 1 299.336 3.706 20 0 CHADMN CCCO[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC001203885603 1133380111 /nfs/dbraw/zinc/38/01/11/1133380111.db2.gz AJQLEYLLUMNMIU-CQSZACIVSA-N 0 1 287.325 3.706 20 0 CHADMN CCOc1ccc(CCNCc2ncc(Cl)s2)cc1 ZINC001203927216 1133386158 /nfs/dbraw/zinc/38/61/58/1133386158.db2.gz NZXKISWHBHTNAE-UHFFFAOYSA-N 0 1 296.823 3.528 20 0 CHADMN Cl/C=C\CNCc1cccc(Oc2ccccn2)c1 ZINC001203960848 1133389373 /nfs/dbraw/zinc/38/93/73/1133389373.db2.gz KUTZEBYZTHSFKV-YWEYNIOJSA-N 0 1 274.751 3.716 20 0 CHADMN Fc1ccc([C@H]2CCCN2Cc2ccc3c(c2)OCO3)cc1 ZINC001204051827 1133403545 /nfs/dbraw/zinc/40/35/45/1133403545.db2.gz YCKKMNDCYVAXHI-MRXNPFEDSA-N 0 1 299.345 3.892 20 0 CHADMN CCOc1cc(CN2CCc3ccccc3[C@H]2C)ccc1O ZINC001204127845 1133409069 /nfs/dbraw/zinc/40/90/69/1133409069.db2.gz MSNMLSRELNIHHL-CQSZACIVSA-N 0 1 297.398 3.910 20 0 CHADMN CC1(C)COCCN1Cc1ccc(-c2ccccc2)cc1 ZINC001204134481 1133409305 /nfs/dbraw/zinc/40/93/05/1133409305.db2.gz FBMYCGUJQOPFFC-UHFFFAOYSA-N 0 1 281.399 3.964 20 0 CHADMN CC(=O)[C@@H]1CCCN1Cc1ccc(-c2ccccc2)cc1 ZINC001204139784 1133409976 /nfs/dbraw/zinc/40/99/76/1133409976.db2.gz VARYJQCBQDPPNM-IBGZPJMESA-N 0 1 279.383 3.907 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1ccc2c(n1)CCC2 ZINC001204163252 1133411549 /nfs/dbraw/zinc/41/15/49/1133411549.db2.gz QMFSNSOIKXEPNV-AWEZNQCLSA-N 0 1 278.399 3.690 20 0 CHADMN CC(C)c1ccc(CN2CCN(C)c3ncccc3C2)cc1 ZINC001204166088 1133413800 /nfs/dbraw/zinc/41/38/00/1133413800.db2.gz JKYYAQLRXIALBN-UHFFFAOYSA-N 0 1 295.430 3.657 20 0 CHADMN CCOC(=O)CN(CC[C@@H](C)c1ccccc1)CC(C)C ZINC001204186900 1133416290 /nfs/dbraw/zinc/41/62/90/1133416290.db2.gz HFRYFVGHDSTKEB-MRXNPFEDSA-N 0 1 291.435 3.701 20 0 CHADMN CC(C)C1CCN(Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC001204204012 1133417559 /nfs/dbraw/zinc/41/75/59/1133417559.db2.gz DHGJWSLIUQTPER-UHFFFAOYSA-N 0 1 281.831 3.809 20 0 CHADMN Fc1cccc(F)c1CN1CC[C@H]2CCC[C@@H]2C1 ZINC001204199926 1133417855 /nfs/dbraw/zinc/41/78/55/1133417855.db2.gz DXBGYIROTVEIPE-VXGBXAGGSA-N 0 1 251.320 3.587 20 0 CHADMN CCCC1CCN(Cc2cccc(F)c2F)CC1 ZINC001204199493 1133418288 /nfs/dbraw/zinc/41/82/88/1133418288.db2.gz XHQAOVPCHVDEHV-UHFFFAOYSA-N 0 1 253.336 3.977 20 0 CHADMN Cc1ccc(O[C@@H]2CCCN(Cc3ccoc3)C2)cc1 ZINC001204243456 1133424251 /nfs/dbraw/zinc/42/42/51/1133424251.db2.gz SKKBSDXBNVMEGC-QGZVFWFLSA-N 0 1 271.360 3.631 20 0 CHADMN Cc1ccc(O[C@H]2CCCN(Cc3ccoc3)C2)cc1 ZINC001204243455 1133424441 /nfs/dbraw/zinc/42/44/41/1133424441.db2.gz SKKBSDXBNVMEGC-KRWDZBQOSA-N 0 1 271.360 3.631 20 0 CHADMN COc1ccc(CN2CC[C@@H]2c2ccccc2)c(OC)c1C ZINC001204264618 1133427447 /nfs/dbraw/zinc/42/74/47/1133427447.db2.gz UJABVBWULXWLOZ-QGZVFWFLSA-N 0 1 297.398 3.959 20 0 CHADMN CCN(Cc1n[nH]c(C)c1C)Cc1ccccc1Cl ZINC001204261580 1133427833 /nfs/dbraw/zinc/42/78/33/1133427833.db2.gz MKHGOLGJTUDWQT-UHFFFAOYSA-N 0 1 277.799 3.702 20 0 CHADMN Cc1[nH]c2ccccc2c1CN1CCC[C@H]1c1ncccn1 ZINC001204296638 1133430549 /nfs/dbraw/zinc/43/05/49/1133430549.db2.gz CRMUCAQNNKZIAQ-KRWDZBQOSA-N 0 1 292.386 3.603 20 0 CHADMN CCCOc1ccc(CN2CC[C@H](C(F)(F)F)C2)cc1 ZINC001204309378 1133433686 /nfs/dbraw/zinc/43/36/86/1133433686.db2.gz SRMGEMLJRUNZTP-ZDUSSCGKSA-N 0 1 287.325 3.860 20 0 CHADMN C[C@]1(F)CCCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001204414291 1133444592 /nfs/dbraw/zinc/44/45/92/1133444592.db2.gz BNADEPXCFPDOKO-ZDUSSCGKSA-N 0 1 291.288 3.909 20 0 CHADMN F[C@@H]1CCCN(Cc2ccccc2OC(F)(F)F)CC1 ZINC001204423815 1133445571 /nfs/dbraw/zinc/44/55/71/1133445571.db2.gz MLULMCKKKNSTNR-GFCCVEGCSA-N 0 1 291.288 3.909 20 0 CHADMN FC[C@H]1CCCN(Cc2ccccc2OC(F)(F)F)C1 ZINC001204426074 1133445687 /nfs/dbraw/zinc/44/56/87/1133445687.db2.gz MVHWODKDWHGBEV-LLVKDONJSA-N 0 1 291.288 3.767 20 0 CHADMN C[C@]1(CF)CCN(Cc2ccc(F)cc2Cl)C1 ZINC001204434016 1133447475 /nfs/dbraw/zinc/44/74/75/1133447475.db2.gz DAWPWVLNAXBAGV-CYBMUJFWSA-N 0 1 259.727 3.661 20 0 CHADMN Fc1cc(C(F)(F)F)ccc1CN1CCCCC1 ZINC001204462949 1133450381 /nfs/dbraw/zinc/45/03/81/1133450381.db2.gz BWMGPCXNZXIXQT-UHFFFAOYSA-N 0 1 261.262 3.830 20 0 CHADMN Fc1ccc(CN2CCC3(CC3)C2)c(C(F)(F)F)c1 ZINC001204480324 1133452623 /nfs/dbraw/zinc/45/26/23/1133452623.db2.gz UQNHLIITUFCIDW-UHFFFAOYSA-N 0 1 273.273 3.830 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3ccc(F)c(C(F)(F)F)c3)C[C@@H]21 ZINC001204490576 1133453403 /nfs/dbraw/zinc/45/34/03/1133453403.db2.gz WXOLAYVKEVTEEO-TXEJJXNPSA-N 0 1 287.300 3.932 20 0 CHADMN Cc1c(F)cccc1CN1CCC(=O)[C@H](C)C12CCCC2 ZINC001204513932 1133456591 /nfs/dbraw/zinc/45/65/91/1133456591.db2.gz ONPMDFUVDVEYEQ-AWEZNQCLSA-N 0 1 289.394 3.858 20 0 CHADMN Cc1cc(CN2CCC(Oc3ccccc3)CC2)oc1C ZINC001204537427 1133458702 /nfs/dbraw/zinc/45/87/02/1133458702.db2.gz RMABDZSQXKOJCS-UHFFFAOYSA-N 0 1 285.387 3.940 20 0 CHADMN Clc1ccc(Cl)c(C[N@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC001204568536 1133463898 /nfs/dbraw/zinc/46/38/98/1133463898.db2.gz JZQSNCIBNORWHL-JOYOIKCWSA-N 0 1 256.176 3.978 20 0 CHADMN Clc1ccc(Cl)c(CN2C[C@H]3CC[C@@H]2C3)c1 ZINC001204568536 1133463903 /nfs/dbraw/zinc/46/39/03/1133463903.db2.gz JZQSNCIBNORWHL-JOYOIKCWSA-N 0 1 256.176 3.978 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)cnc1F ZINC001204585752 1133464121 /nfs/dbraw/zinc/46/41/21/1133464121.db2.gz YGUOSOOTARABAK-MRXNPFEDSA-N 0 1 284.378 3.594 20 0 CHADMN COc1ncc(C[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)s1 ZINC001204650194 1133471412 /nfs/dbraw/zinc/47/14/12/1133471412.db2.gz DCVNVRRXHQCZOZ-OCCSQVGLSA-N 0 1 288.416 3.530 20 0 CHADMN Clc1cccc(-c2ccc(C[N@H+]3CCCOCC3)o2)c1 ZINC001204695600 1133476229 /nfs/dbraw/zinc/47/62/29/1133476229.db2.gz VZFNRNADPTUGHT-UHFFFAOYSA-N 0 1 291.778 3.822 20 0 CHADMN Clc1cccc(-c2ccc(CN3CCCOCC3)o2)c1 ZINC001204695600 1133476234 /nfs/dbraw/zinc/47/62/34/1133476234.db2.gz VZFNRNADPTUGHT-UHFFFAOYSA-N 0 1 291.778 3.822 20 0 CHADMN CN(Cc1ccc(F)c(F)c1F)C1Cc2ccccc2C1 ZINC001204737517 1133480377 /nfs/dbraw/zinc/48/03/77/1133480377.db2.gz WJASTBIWHQKMCO-UHFFFAOYSA-N 0 1 291.316 3.703 20 0 CHADMN C[C@H]1CN(Cc2ccc(C(F)(F)F)nc2Cl)C[C@@H]1C ZINC001204770084 1133483299 /nfs/dbraw/zinc/48/32/99/1133483299.db2.gz YNFVRYLYBABBHH-IUCAKERBSA-N 0 1 292.732 3.842 20 0 CHADMN CN[C@H](c1nc(-c2ccc(Cl)cc2)no1)C(C)(C)C ZINC001204890787 1133495937 /nfs/dbraw/zinc/49/59/37/1133495937.db2.gz WKJBUINCACDBOE-LLVKDONJSA-N 0 1 279.771 3.697 20 0 CHADMN CN[C@H](c1nc(-c2cccc(C)c2C)no1)C(C)(C)C ZINC001204895065 1133497200 /nfs/dbraw/zinc/49/72/00/1133497200.db2.gz FRZIIFCWMLDNSB-CYBMUJFWSA-N 0 1 273.380 3.660 20 0 CHADMN COCOc1ccc(-c2cccc3nc[nH]c32)cc1Cl ZINC001205022190 1133518474 /nfs/dbraw/zinc/51/84/74/1133518474.db2.gz BMVKUDIRARRYED-UHFFFAOYSA-N 0 1 288.734 3.866 20 0 CHADMN Cc1nc2scc(C3CC3)n2c1CN1CCC[C@H](C)C1 ZINC001205045778 1133520777 /nfs/dbraw/zinc/52/07/77/1133520777.db2.gz DHAGIIMGNHCJMU-NSHDSACASA-N 0 1 289.448 3.814 20 0 CHADMN Cc1cccc(CN2CC[C@](C)(F)[C@@H](F)C2)c1C ZINC001205066960 1133523246 /nfs/dbraw/zinc/52/32/46/1133523246.db2.gz JMZPRYUBTYJNAK-GJZGRUSLSA-N 0 1 253.336 3.575 20 0 CHADMN CN(C)c1ccnc(-c2ccc(O)cc2C(F)(F)F)c1 ZINC001205073542 1133523977 /nfs/dbraw/zinc/52/39/77/1133523977.db2.gz RAJXCAFPXQLBDM-UHFFFAOYSA-N 0 1 282.265 3.539 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cccc(C)c1C)C2 ZINC001205089451 1133527507 /nfs/dbraw/zinc/52/75/07/1133527507.db2.gz QEKMGAYMANSFAG-UHFFFAOYSA-N 0 1 267.372 3.828 20 0 CHADMN Cc1cc(CN(C)C(C)C)c(Br)cc1F ZINC001205101079 1133529746 /nfs/dbraw/zinc/52/97/46/1133529746.db2.gz MBTUFFIQMWIHLS-UHFFFAOYSA-N 0 1 274.177 3.737 20 0 CHADMN COc1cc(Cl)cc(-c2c[nH]cc3nc(C)nc2-3)c1 ZINC001205145373 1133535915 /nfs/dbraw/zinc/53/59/15/1133535915.db2.gz VQBFNXOIMICYCN-UHFFFAOYSA-N 0 1 273.723 3.595 20 0 CHADMN COc1cc(Cl)cc(-c2cncc3[nH]c(C)nc32)c1 ZINC001205145373 1133535921 /nfs/dbraw/zinc/53/59/21/1133535921.db2.gz VQBFNXOIMICYCN-UHFFFAOYSA-N 0 1 273.723 3.595 20 0 CHADMN Cc1cc(CN2CC[C@H]2COCc2ccccc2)ccc1F ZINC001205186813 1133542698 /nfs/dbraw/zinc/54/26/98/1133542698.db2.gz CFTSERQKYHBFOO-SFHVURJKSA-N 0 1 299.389 3.925 20 0 CHADMN CNc1ccc(C)cc1CN(C)Cc1ccc(C)o1 ZINC001205185121 1133543445 /nfs/dbraw/zinc/54/34/45/1133543445.db2.gz KBBAOEWARNHCTH-UHFFFAOYSA-N 0 1 258.365 3.570 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1ccc(F)c2n[nH]cc21 ZINC001205341939 1133565837 /nfs/dbraw/zinc/56/58/37/1133565837.db2.gz JZJRJSIGJZOION-UHFFFAOYSA-N 0 1 266.279 3.554 20 0 CHADMN Fc1ccc(-c2cccc(C3=NCCC3)c2)c2c[nH]nc21 ZINC001205366102 1133569681 /nfs/dbraw/zinc/56/96/81/1133569681.db2.gz KZGSAYAUDNFJLU-UHFFFAOYSA-N 0 1 279.318 3.952 20 0 CHADMN Cc1ccc(CCN[C@H]2COc3cc(F)cc(F)c32)cc1 ZINC001205393662 1133572891 /nfs/dbraw/zinc/57/28/91/1133572891.db2.gz CDNFXXISNSJSMA-HNNXBMFYSA-N 0 1 289.325 3.539 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H]2CC[C@@H]3CCC[C@@H]32)no1 ZINC001205496201 1133583113 /nfs/dbraw/zinc/58/31/13/1133583113.db2.gz RNZJGFKCPSXCNU-BPUTZDHNSA-N 0 1 297.402 3.713 20 0 CHADMN Cc1ncccc1CN(C)Cc1ccc2[nH]ccc2c1 ZINC001205605494 1133593596 /nfs/dbraw/zinc/59/35/96/1133593596.db2.gz DDIGQLNCIVONJO-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN CCC(C)(C)[N@@H+](C)Cc1nnn(-c2ccccc2)c1C1CC1 ZINC001205632971 1133597475 /nfs/dbraw/zinc/59/74/75/1133597475.db2.gz GOPURIPSVYGIKL-UHFFFAOYSA-N 0 1 298.434 3.765 20 0 CHADMN CCC(C)(C)N(C)Cc1nnn(-c2ccccc2)c1C1CC1 ZINC001205632971 1133597479 /nfs/dbraw/zinc/59/74/79/1133597479.db2.gz GOPURIPSVYGIKL-UHFFFAOYSA-N 0 1 298.434 3.765 20 0 CHADMN CN(C)Cc1ccc(-c2ccc3cc(O)ccc3c2)nc1 ZINC001205730882 1133606701 /nfs/dbraw/zinc/60/67/01/1133606701.db2.gz LTXHJPQQJMQVTL-UHFFFAOYSA-N 0 1 278.355 3.669 20 0 CHADMN Oc1ccc2cc(-c3cccc4cncn43)ccc2c1 ZINC001205778611 1133613364 /nfs/dbraw/zinc/61/33/64/1133613364.db2.gz UQAOPULHERTMRY-UHFFFAOYSA-N 0 1 260.296 3.860 20 0 CHADMN Cc1cnccc1CN1CCC[C@H]1c1ccccc1F ZINC001205857960 1133623267 /nfs/dbraw/zinc/62/32/67/1133623267.db2.gz TWYXZGCRMCVWCI-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CCN(Cc1sc(C)nc1C)Cc1ccc(F)cc1 ZINC001206179626 1133667658 /nfs/dbraw/zinc/66/76/58/1133667658.db2.gz XVPTTZUFEDVMKJ-UHFFFAOYSA-N 0 1 278.396 3.921 20 0 CHADMN Cc1c(Cl)ccc(-c2cc3[nH]nnc3cc2F)c1F ZINC001206284420 1133682906 /nfs/dbraw/zinc/68/29/06/1133682906.db2.gz SBVKDBPLJHUXOU-UHFFFAOYSA-N 0 1 279.677 3.865 20 0 CHADMN Nc1ccccc1Nc1ccncc1Oc1ccccc1 ZINC001206309158 1133688047 /nfs/dbraw/zinc/68/80/47/1133688047.db2.gz RSOATNHMPAYMHE-UHFFFAOYSA-N 0 1 277.327 3.622 20 0 CHADMN COCc1cc(C)c(-c2cccn3cncc23)c(C)c1 ZINC001206339270 1133691909 /nfs/dbraw/zinc/69/19/09/1133691909.db2.gz OAZPXNGIAHTSER-UHFFFAOYSA-N 0 1 266.344 3.765 20 0 CHADMN CCc1cc(OC)ccc1CN1C[C@@H](CC)O[C@H](CC)C1 ZINC001206351427 1133693340 /nfs/dbraw/zinc/69/33/40/1133693340.db2.gz VGGHGCQBKKAWNF-IAGOWNOFSA-N 0 1 291.435 3.647 20 0 CHADMN C[C@H]1[C@H](c2cccc(F)c2)OCCN1C[C@H]1CC=CCC1 ZINC001206400211 1133698483 /nfs/dbraw/zinc/69/84/83/1133698483.db2.gz HFYFXSABYDNLET-RLFYNMQTSA-N 0 1 289.394 3.944 20 0 CHADMN CCN(Cc1ccc(C)c(C)c1)Cc1ccncc1OC ZINC001206487778 1133708965 /nfs/dbraw/zinc/70/89/65/1133708965.db2.gz SEGLFSPGBDTYLS-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN C[C@H]1CN(Cc2ccc(Br)cn2)CCC[C@@H]1C ZINC001206499455 1133710836 /nfs/dbraw/zinc/71/08/36/1133710836.db2.gz DHPLLXOQIPVQKQ-RYUDHWBXSA-N 0 1 297.240 3.712 20 0 CHADMN CC[C@H]1CN(Cc2cc3ccccc3n2C)[C@@H](CC)CO1 ZINC001206567341 1133719935 /nfs/dbraw/zinc/71/99/35/1133719935.db2.gz BIDDKUVWDIJINK-RDJZCZTQSA-N 0 1 286.419 3.568 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1cccnc1OC ZINC001206589090 1133723107 /nfs/dbraw/zinc/72/31/07/1133723107.db2.gz FHVNVVCECLINEX-MRXNPFEDSA-N 0 1 270.376 3.673 20 0 CHADMN CN(C)Cc1cccc(-c2cc3n[nH]cc3c(F)c2)c1F ZINC001206608710 1133726459 /nfs/dbraw/zinc/72/64/59/1133726459.db2.gz IYSDBGYHYHCIPX-UHFFFAOYSA-N 0 1 287.313 3.570 20 0 CHADMN COc1cccnc1CN1CCCC[C@@H]1c1ccccc1 ZINC001206610553 1133728176 /nfs/dbraw/zinc/72/81/76/1133728176.db2.gz KJLYVVDVGJTNJY-QGZVFWFLSA-N 0 1 282.387 3.817 20 0 CHADMN CCC(F)(F)CN[C@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001206691563 1133732952 /nfs/dbraw/zinc/73/29/52/1133732952.db2.gz JWUCUACQWRVGGB-ZBFHGGJFSA-N 0 1 296.405 3.674 20 0 CHADMN CCCCC1CCN(Cc2ccncc2F)CC1 ZINC001206783552 1133748421 /nfs/dbraw/zinc/74/84/21/1133748421.db2.gz CMVBQPRCFRSUOV-UHFFFAOYSA-N 0 1 250.361 3.623 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(-c3ccc(F)cc3)on2)C1 ZINC001206833017 1133754114 /nfs/dbraw/zinc/75/41/14/1133754114.db2.gz FGNIYDZWHLQYMV-GFCCVEGCSA-N 0 1 274.339 3.713 20 0 CHADMN COc1ccc(-c2cc(CN3CCCCC34CC4)no2)cc1 ZINC001206829415 1133754683 /nfs/dbraw/zinc/75/46/83/1133754683.db2.gz JLASVBODRBYRKI-UHFFFAOYSA-N 0 1 298.386 3.869 20 0 CHADMN COc1ccc(C2=CCN(Cc3cc(C)ccn3)CC2)cc1 ZINC001206853059 1133755929 /nfs/dbraw/zinc/75/59/29/1133755929.db2.gz KINABPFIEZSXGM-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN Fc1cncc(CN2CC[C@@H](c3ccccc3Cl)C2)c1 ZINC001207024390 1133760041 /nfs/dbraw/zinc/76/00/41/1133760041.db2.gz QHPABXZMJRXJKA-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN Fc1cncc(CN2CCC(c3cccs3)CC2)c1 ZINC001207024248 1133760400 /nfs/dbraw/zinc/76/04/00/1133760400.db2.gz JCWGUKRGQTXLTM-UHFFFAOYSA-N 0 1 276.380 3.662 20 0 CHADMN Fc1cccnc1CN1CCC[C@@H](Cc2ccccc2)C1 ZINC001207032152 1133761523 /nfs/dbraw/zinc/76/15/23/1133761523.db2.gz GFPGTRJVLRYBDR-INIZCTEOSA-N 0 1 284.378 3.675 20 0 CHADMN COc1cccc([C@H]2CCCCN2Cc2ccnc(C)n2)c1 ZINC001207165813 1133772838 /nfs/dbraw/zinc/77/28/38/1133772838.db2.gz IJSAXWZVGXVAGA-GOSISDBHSA-N 0 1 297.402 3.521 20 0 CHADMN Cc1cncc(CN2CCC[C@H]2c2ccccc2F)c1 ZINC001207157073 1133773111 /nfs/dbraw/zinc/77/31/11/1133773111.db2.gz VGVAUHBNPLBEJW-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CC[C@H]1CCCCN1CCc1c(Cl)ncnc1Cl ZINC001207330704 1133791197 /nfs/dbraw/zinc/79/11/97/1133791197.db2.gz BVFGAVLSTAJUFO-JTQLQIEISA-N 0 1 288.222 3.590 20 0 CHADMN C[C@@H]1CCCCCN1CCc1c(Cl)ncnc1Cl ZINC001207328194 1133792039 /nfs/dbraw/zinc/79/20/39/1133792039.db2.gz DDOBWHWTMRGJKG-SNVBAGLBSA-N 0 1 288.222 3.590 20 0 CHADMN C[N@@H+](CCC(=O)c1cccs1)CCc1ccc(F)cc1 ZINC001207517099 1133812515 /nfs/dbraw/zinc/81/25/15/1133812515.db2.gz MKMOWEJLZPLYAK-UHFFFAOYSA-N 0 1 291.391 3.635 20 0 CHADMN c1ccc(C(CN(C2CC2)C2COC2)c2ccccc2)cc1 ZINC001207525577 1133815651 /nfs/dbraw/zinc/81/56/51/1133815651.db2.gz DYXGMPFPLQAMIZ-UHFFFAOYSA-N 0 1 293.410 3.682 20 0 CHADMN COc1cccc2c1CN(CCc1cccc(C)c1)C2 ZINC001207537178 1133817419 /nfs/dbraw/zinc/81/74/19/1133817419.db2.gz WVQLIRWSLUAAAZ-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN O=C1CCN(CCCc2cccc(F)c2)[C@@H]2CCCC[C@H]12 ZINC001207599268 1133826840 /nfs/dbraw/zinc/82/68/40/1133826840.db2.gz DVQMETQQTYTSRQ-DLBZAZTESA-N 0 1 289.394 3.592 20 0 CHADMN [O-]c1cc(F)c(CC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)c(F)c1 ZINC001207658683 1133836188 /nfs/dbraw/zinc/83/61/88/1133836188.db2.gz SNGUGCWSWWCTAE-OLZOCXBDSA-N 0 1 295.373 3.771 20 0 CHADMN Cc1c(Cl)cccc1CN1CC(Cc2ccoc2)C1 ZINC001207738868 1133843240 /nfs/dbraw/zinc/84/32/40/1133843240.db2.gz OPUUVGIRSXAJCC-UHFFFAOYSA-N 0 1 275.779 3.916 20 0 CHADMN O=C1CCN(CC2(c3ccccc3)CC2)[C@@H]2CCCC[C@@H]12 ZINC001207831176 1133850299 /nfs/dbraw/zinc/85/02/99/1133850299.db2.gz OWCZUDASIVZALK-IAGOWNOFSA-N 0 1 283.415 3.552 20 0 CHADMN c1ccc([C@H]2COCC[N@@H+]2CC2(c3ccccc3)CC2)cc1 ZINC001207834425 1133850896 /nfs/dbraw/zinc/85/08/96/1133850896.db2.gz USCLDFHZMHUYKI-LJQANCHMSA-N 0 1 293.410 3.792 20 0 CHADMN c1ccc([C@H]2COCCN2CC2(c3ccccc3)CC2)cc1 ZINC001207834425 1133850899 /nfs/dbraw/zinc/85/08/99/1133850899.db2.gz USCLDFHZMHUYKI-LJQANCHMSA-N 0 1 293.410 3.792 20 0 CHADMN FC(F)(F)c1cccc(CCCN2CCOCC23CC3)c1 ZINC001207846120 1133853944 /nfs/dbraw/zinc/85/39/44/1133853944.db2.gz YBQCFRGFADAKFC-UHFFFAOYSA-N 0 1 299.336 3.503 20 0 CHADMN C[C@H](CN1Cc2cccc(F)c2C1)c1ccccc1 ZINC001207909455 1133860830 /nfs/dbraw/zinc/86/08/30/1133860830.db2.gz ALGVFTPOJCYPBY-CYBMUJFWSA-N 0 1 255.336 3.945 20 0 CHADMN CC/C=C\CCCCCN1CCN(C(=O)C(C)(C)C)CC1 ZINC001208195458 1133904765 /nfs/dbraw/zinc/90/47/65/1133904765.db2.gz XVZSUQSXRIAARG-SREVYHEPSA-N 0 1 294.483 3.703 20 0 CHADMN Fc1cccc(CCN2CCC[C@H](C(F)(F)F)C2)c1 ZINC001208198170 1133905757 /nfs/dbraw/zinc/90/57/57/1133905757.db2.gz ZZOMBHKMOHUREC-LBPRGKRZSA-N 0 1 275.289 3.643 20 0 CHADMN C[C@H](CN(C)Cc1ncccn1)c1cccc2ccccc21 ZINC001208702423 1133930105 /nfs/dbraw/zinc/93/01/05/1133930105.db2.gz AMBIEIVINMJXAD-OAHLLOKOSA-N 0 1 291.398 3.865 20 0 CHADMN C[C@@H](CN(Cc1ccco1)C1CC1)OCc1ccccc1 ZINC001208702666 1133931658 /nfs/dbraw/zinc/93/16/58/1133931658.db2.gz OUAWNJRPSXYITG-HNNXBMFYSA-N 0 1 285.387 3.849 20 0 CHADMN C[C@H](CN1CCC(=O)[C@H](F)CC1)c1cccc2ccccc21 ZINC001208703735 1133932667 /nfs/dbraw/zinc/93/26/67/1133932667.db2.gz FSANSPMINCNQNI-RDTXWAMCSA-N 0 1 299.389 3.946 20 0 CHADMN C[C@H](CN(C1CC1)C1COC1)c1cccc2ccccc21 ZINC001208709441 1133934332 /nfs/dbraw/zinc/93/43/32/1133934332.db2.gz LVBYMJSAAOQRRX-CQSZACIVSA-N 0 1 281.399 3.807 20 0 CHADMN CC/C=C\CCN(CC(=O)c1ccccc1)C(C)C ZINC001208729784 1133936305 /nfs/dbraw/zinc/93/63/05/1133936305.db2.gz KEEZDJBUXTTWSP-WAYWQWQTSA-N 0 1 259.393 3.936 20 0 CHADMN CC(C)CCCN1C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C ZINC001208736858 1133938619 /nfs/dbraw/zinc/93/86/19/1133938619.db2.gz BREQWTRIDPIUSW-GJZGRUSLSA-N 0 1 296.455 3.506 20 0 CHADMN COc1cccc2c1CN(CCc1ccc(Cl)cc1)C2 ZINC001208741861 1133940043 /nfs/dbraw/zinc/94/00/43/1133940043.db2.gz IUALKHDZSULLJN-UHFFFAOYSA-N 0 1 287.790 3.907 20 0 CHADMN FC(F)(F)c1ccccc1CCCN(C1CC1)C1COC1 ZINC001208832016 1133947977 /nfs/dbraw/zinc/94/79/77/1133947977.db2.gz WJCNOKABTHTZAA-UHFFFAOYSA-N 0 1 299.336 3.501 20 0 CHADMN F[C@H]1CCN(CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001208834078 1133948699 /nfs/dbraw/zinc/94/86/99/1133948699.db2.gz PQQJZAJCGYGIFT-NSHDSACASA-N 0 1 276.182 3.970 20 0 CHADMN Brc1ccccc1CCCN1CC2(CCC2)C1 ZINC001208845118 1133951976 /nfs/dbraw/zinc/95/19/76/1133951976.db2.gz FKXLJMVVBMEWSO-UHFFFAOYSA-N 0 1 294.236 3.868 20 0 CHADMN CC1(C)CN(CCc2ccc(Cl)cc2Cl)C1 ZINC001209078930 1133972692 /nfs/dbraw/zinc/97/26/92/1133972692.db2.gz PRFHISPGBJTWSH-UHFFFAOYSA-N 0 1 258.192 3.878 20 0 CHADMN CCOC(C)(C)CN(C)Cc1nc2ccccc2s1 ZINC001209066401 1133973225 /nfs/dbraw/zinc/97/32/25/1133973225.db2.gz DVYPSOYPKDNUFQ-UHFFFAOYSA-N 0 1 278.421 3.543 20 0 CHADMN Fc1ccc(CCN2CC3(CCC3)C2)c(Cl)c1 ZINC001209110138 1133976448 /nfs/dbraw/zinc/97/64/48/1133976448.db2.gz PEGNFXQUKFSZSJ-UHFFFAOYSA-N 0 1 253.748 3.508 20 0 CHADMN F[C@H]1CN(CCc2ccc(C(F)(F)F)cc2)C[C@@H]2C[C@@H]21 ZINC001209121759 1133977260 /nfs/dbraw/zinc/97/72/60/1133977260.db2.gz CCXFKRXYVKLDOB-UBHSHLNASA-N 0 1 287.300 3.538 20 0 CHADMN C[N@@H+](CCc1cc(F)cc(F)c1)Cc1cccc(F)c1F ZINC001209133806 1133980453 /nfs/dbraw/zinc/98/04/53/1133980453.db2.gz VFYBKSKLURTFIA-UHFFFAOYSA-N 0 1 297.295 3.918 20 0 CHADMN CN(CCc1cc(F)cc(F)c1)Cc1cccc(F)c1F ZINC001209133806 1133980456 /nfs/dbraw/zinc/98/04/56/1133980456.db2.gz VFYBKSKLURTFIA-UHFFFAOYSA-N 0 1 297.295 3.918 20 0 CHADMN Fc1cc(F)cc(CC[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC001209134645 1133980891 /nfs/dbraw/zinc/98/08/91/1133980891.db2.gz HBSPWPGGSHNCQE-KRWDZBQOSA-N 0 1 288.341 3.739 20 0 CHADMN Fc1cc(F)cc(CCN2CCC[C@H]2c2ccccn2)c1 ZINC001209134645 1133980893 /nfs/dbraw/zinc/98/08/93/1133980893.db2.gz HBSPWPGGSHNCQE-KRWDZBQOSA-N 0 1 288.341 3.739 20 0 CHADMN CN(CCCCCc1ccccc1)Cc1ccno1 ZINC001209235750 1133994476 /nfs/dbraw/zinc/99/44/76/1133994476.db2.gz QPHIMUUUJBXYNI-UHFFFAOYSA-N 0 1 258.365 3.519 20 0 CHADMN FC1C[C@@H]2COC[C@H](C1)N2CCCCCc1ccccc1 ZINC001209235370 1133994132 /nfs/dbraw/zinc/99/41/32/1133994132.db2.gz OUUSROPXPREJDY-AYHJJNSGSA-N 0 1 291.410 3.601 20 0 CHADMN Fc1cc(F)c(CCN2CCC(C(F)F)CC2)cc1F ZINC001209253723 1133996306 /nfs/dbraw/zinc/99/63/06/1133996306.db2.gz WHHAKNVTCRHZKZ-UHFFFAOYSA-N 0 1 293.279 3.624 20 0 CHADMN C[C@@H]1C[C@@H](CN2Cc3ccc(Cl)cc3C2)C[C@H](C)O1 ZINC001209397545 1134011039 /nfs/dbraw/zinc/01/10/39/1134011039.db2.gz LAVFIZNOVLYITQ-CLLJXQQHSA-N 0 1 279.811 3.859 20 0 CHADMN C[C@H]1CC(CN2Cc3cccc(Cl)c3C2)C[C@H](C)O1 ZINC001209399574 1134011458 /nfs/dbraw/zinc/01/14/58/1134011458.db2.gz UCBMYGSRZFXTLS-RYUDHWBXSA-N 0 1 279.811 3.859 20 0 CHADMN Cc1cccc2c(CN(C)Cc3ccccn3)c[nH]c21 ZINC001209482043 1134025739 /nfs/dbraw/zinc/02/57/39/1134025739.db2.gz GHWASEUCKGXVMP-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN Cc1cccc2c(CN3CCC(=O)[C@@H]4CCCC[C@@H]43)c[nH]c21 ZINC001209482373 1134026774 /nfs/dbraw/zinc/02/67/74/1134026774.db2.gz LFFXOIUIWNASSD-SJORKVTESA-N 0 1 296.414 3.810 20 0 CHADMN Cc1ccc2[nH]cc(CN3CCC(=O)[C@@H]4CCCC[C@H]43)c2c1 ZINC001209489540 1134028658 /nfs/dbraw/zinc/02/86/58/1134028658.db2.gz JJFIOGUSSIDOSY-CRAIPNDOSA-N 0 1 296.414 3.810 20 0 CHADMN Cc1ccc2[nH]cc(CN3CCc4occc4C3)c2c1 ZINC001209496042 1134030060 /nfs/dbraw/zinc/03/00/60/1134030060.db2.gz ZMZTVYPEVZCFMW-UHFFFAOYSA-N 0 1 266.344 3.628 20 0 CHADMN Cc1cccc2c(CN(C)Cc3cncs3)c[nH]c21 ZINC001209495245 1134030965 /nfs/dbraw/zinc/03/09/65/1134030965.db2.gz SNXQXDTYLAEXLW-UHFFFAOYSA-N 0 1 271.389 3.565 20 0 CHADMN CN(Cc1ccc(Cl)nc1)Cc1ccc2cc[nH]c2c1 ZINC001209515616 1134032808 /nfs/dbraw/zinc/03/28/08/1134032808.db2.gz WXRBAERCHFCQLA-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN Cn1nc(CN2CCC[C@@H]3CCCC[C@@H]32)c2ccccc21 ZINC001209582578 1134038690 /nfs/dbraw/zinc/03/86/90/1134038690.db2.gz LPRMMRVSIJXYKB-YOEHRIQHSA-N 0 1 283.419 3.728 20 0 CHADMN Cn1nc(CN2CC[C@H]3CCCC[C@@H]3C2)c2ccccc21 ZINC001209584393 1134039065 /nfs/dbraw/zinc/03/90/65/1134039065.db2.gz GCVOSCRQLFGMCL-HUUCEWRRSA-N 0 1 283.419 3.585 20 0 CHADMN Cc1ccc(CN2Cc3ccccc3C(C)(C)C2)[nH]1 ZINC001209578209 1134039118 /nfs/dbraw/zinc/03/91/18/1134039118.db2.gz IETUJEPAABIEEL-UHFFFAOYSA-N 0 1 254.377 3.617 20 0 CHADMN Cc1nc2ccccn2c1CN(C)C/C=C/c1ccccc1 ZINC001209649541 1134046233 /nfs/dbraw/zinc/04/62/33/1134046233.db2.gz KMLSAIWHJSNTJW-DHZHZOJOSA-N 0 1 291.398 3.788 20 0 CHADMN Cc1nc2ccccn2c1CN1CCC[C@H]2CCCC[C@H]21 ZINC001209651456 1134047005 /nfs/dbraw/zinc/04/70/05/1134047005.db2.gz VYVBYYZGJHAQEZ-HZPDHXFCSA-N 0 1 283.419 3.797 20 0 CHADMN Nc1ccncc1CN1CCC[C@H]1c1ccc(Cl)s1 ZINC001209731614 1134054732 /nfs/dbraw/zinc/05/47/32/1134054732.db2.gz ULXWUGHOPFIJIX-LBPRGKRZSA-N 0 1 293.823 3.546 20 0 CHADMN FC(F)(F)c1cc(Nc2ccc3nc[nH]c3c2)ccn1 ZINC001209841533 1134077868 /nfs/dbraw/zinc/07/78/68/1134077868.db2.gz UHDOQXGPNBPDLW-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN FC(F)(F)Oc1cccnc1Nc1ccc2nc[nH]c2c1 ZINC001209844786 1134078033 /nfs/dbraw/zinc/07/80/33/1134078033.db2.gz PICDRYKYGPUPIA-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN Cc1c(Cl)nccc1Nc1ccc2nc[nH]c2c1 ZINC001209845455 1134079830 /nfs/dbraw/zinc/07/98/30/1134079830.db2.gz YYGYOIVSGBHIFE-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Fc1cccc2ncc(Nc3ccc4nc[nH]c4c3)cc12 ZINC001209847237 1134080661 /nfs/dbraw/zinc/08/06/61/1134080661.db2.gz CSICFSGDVSDHBL-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN CCn1cc2cc(Nc3ccc4nc[nH]c4c3)ccc2n1 ZINC001209846701 1134081069 /nfs/dbraw/zinc/08/10/69/1134081069.db2.gz JBENPFJVAVRJBE-UHFFFAOYSA-N 0 1 277.331 3.676 20 0 CHADMN COc1ccc(Nc2ccc3nc[nH]c3c2)c2ncccc12 ZINC001209849041 1134084101 /nfs/dbraw/zinc/08/41/01/1134084101.db2.gz UJOCNNDNGOKXPA-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN COc1cc(Nc2ccc3nc[nH]c3c2)cc2cccnc21 ZINC001209850637 1134084639 /nfs/dbraw/zinc/08/46/39/1134084639.db2.gz DCKVDSZDCOQWLY-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN COc1cnc2c(cccc2Nc2ccc3nc[nH]c3c2)c1 ZINC001209850618 1134085428 /nfs/dbraw/zinc/08/54/28/1134085428.db2.gz CQTZWOFKCWIYBZ-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN CO[C@H](C)c1cccc(Nc2ccnn2-c2ccncc2)c1 ZINC001209949039 1134107389 /nfs/dbraw/zinc/10/73/89/1134107389.db2.gz DGGHEZCKSQHDSY-CYBMUJFWSA-N 0 1 294.358 3.718 20 0 CHADMN Cc1cc(N)ncc1Nc1c(F)cccc1Br ZINC001209966516 1134111868 /nfs/dbraw/zinc/11/18/68/1134111868.db2.gz DECFCWHIMRWJON-UHFFFAOYSA-N 0 1 296.143 3.617 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc(Br)c1C ZINC001209966493 1134110995 /nfs/dbraw/zinc/11/09/95/1134110995.db2.gz CGPHOGMTIBYKDQ-UHFFFAOYSA-N 0 1 292.180 3.787 20 0 CHADMN Cc1cc(N)ncc1Nc1nc(C)c(Cl)cc1Cl ZINC001209967043 1134111023 /nfs/dbraw/zinc/11/10/23/1134111023.db2.gz HEDUKMXTMGQTES-UHFFFAOYSA-N 0 1 283.162 3.726 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(F)cc1C(F)(F)F ZINC001209966409 1134111571 /nfs/dbraw/zinc/11/15/71/1134111571.db2.gz YPGDDOVZQLBJQN-UHFFFAOYSA-N 0 1 285.244 3.874 20 0 CHADMN Cc1cc(N)ncc1Nc1ccccc1OC(C)C ZINC001209967202 1134111876 /nfs/dbraw/zinc/11/18/76/1134111876.db2.gz MFOJEOCJXNTLBO-UHFFFAOYSA-N 0 1 257.337 3.503 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(-c2ccncc2)cc1 ZINC001209969226 1134112461 /nfs/dbraw/zinc/11/24/61/1134112461.db2.gz ILXSOXBLIRZUKQ-UHFFFAOYSA-N 0 1 276.343 3.778 20 0 CHADMN Cc1cc(N)ncc1Nc1c(C)c(C)c(N)c(C)c1C ZINC001209971129 1134112556 /nfs/dbraw/zinc/11/25/56/1134112556.db2.gz QSJDLMYNQRSJSB-UHFFFAOYSA-N 0 1 270.380 3.532 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc2nc(Cl)sc2c1 ZINC001209970565 1134112576 /nfs/dbraw/zinc/11/25/76/1134112576.db2.gz YLEGSKHETADUFH-UHFFFAOYSA-N 0 1 290.779 3.979 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(O)c(C)c1 ZINC001209976513 1134114637 /nfs/dbraw/zinc/11/46/37/1134114637.db2.gz OHQHLJUPLNAYBF-UHFFFAOYSA-N 0 1 271.295 3.539 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccccc1N(C)C ZINC001209992338 1134118276 /nfs/dbraw/zinc/11/82/76/1134118276.db2.gz UQATUWVULSIKEF-UHFFFAOYSA-N 0 1 284.338 3.591 20 0 CHADMN Cc1ncn(C)c1Nc1cccnc1OC1CCCCC1 ZINC001210026397 1134126758 /nfs/dbraw/zinc/12/67/58/1134126758.db2.gz CQTRUZBHHKWKBR-UHFFFAOYSA-N 0 1 286.379 3.579 20 0 CHADMN CCCC=CNc1ncc(Br)nc1Cl ZINC001210057373 1134139037 /nfs/dbraw/zinc/13/90/37/1134139037.db2.gz FOYUMXWRMAUSJO-SNAWJCMRSA-N 0 1 276.565 3.618 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2)C[C@H](C)O1 ZINC000166862443 1134140617 /nfs/dbraw/zinc/14/06/17/1134140617.db2.gz WUCBQFXSLNFGPN-OKILXGFUSA-N 0 1 261.409 3.593 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cc2c[nH]nc2cc1C ZINC001210101011 1134146059 /nfs/dbraw/zinc/14/60/59/1134146059.db2.gz APODZWOWLKJCLA-UHFFFAOYSA-N 0 1 295.321 3.710 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccccc1C(C)(C)O ZINC001210102562 1134146776 /nfs/dbraw/zinc/14/67/76/1134146776.db2.gz PXAFHYFAXVPWDW-UHFFFAOYSA-N 0 1 281.359 3.842 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cnc(C2CC2)s1 ZINC001210102624 1134146900 /nfs/dbraw/zinc/14/69/00/1134146900.db2.gz OYFBSWZMTLOKER-UHFFFAOYSA-N 0 1 270.361 3.949 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(F)cnc1Cl ZINC001210102187 1134146913 /nfs/dbraw/zinc/14/69/13/1134146913.db2.gz MSLURFWNTQUBLO-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN COC(=O)c1c(F)cccc1Nc1cc2cn[nH]c2cc1C ZINC001210105166 1134147552 /nfs/dbraw/zinc/14/75/52/1134147552.db2.gz OAUMXDLGEGCSDA-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN COc1ccc(C)c(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210103370 1134147654 /nfs/dbraw/zinc/14/76/54/1134147654.db2.gz ZENPUCYOZACDFI-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN COc1ccc(F)c(Nc2cc3cn[nH]c3cc2C)c1F ZINC001210105196 1134147797 /nfs/dbraw/zinc/14/77/97/1134147797.db2.gz PVAKKAPTWMHPFR-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2c1C(=O)CC2 ZINC001210105217 1134148423 /nfs/dbraw/zinc/14/84/23/1134148423.db2.gz QPGJQBYNNNUWHB-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccccc1C1OCCO1 ZINC001210106086 1134148795 /nfs/dbraw/zinc/14/87/95/1134148795.db2.gz OIQVCQRMSLRTAP-UHFFFAOYSA-N 0 1 295.342 3.660 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1c(N)cc(Cl)cc1F ZINC001210105526 1134149176 /nfs/dbraw/zinc/14/91/76/1134149176.db2.gz FFLJPFMGAHLFCR-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN COc1cc(Nc2cc3cn[nH]c3cc2C)cc(F)c1F ZINC001210105820 1134149182 /nfs/dbraw/zinc/14/91/82/1134149182.db2.gz KJKQASQXYAFJRG-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN [O-]c1c(F)c(F)ccc1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210711899 1134278471 /nfs/dbraw/zinc/27/84/71/1134278471.db2.gz AWXREFHUDPPYQC-GFCCVEGCSA-N 0 1 294.345 3.615 20 0 CHADMN [O-]c1cc(NC2=CC[C@H]([NH+]3CCCC3)CC2)cc(F)c1F ZINC001210712634 1134278582 /nfs/dbraw/zinc/27/85/82/1134278582.db2.gz TYTJDADAFKRIIF-ZDUSSCGKSA-N 0 1 294.345 3.615 20 0 CHADMN Oc1cc(Nc2ccc3nccn3c2)cc(C(F)(F)F)c1 ZINC001210822241 1134304773 /nfs/dbraw/zinc/30/47/73/1134304773.db2.gz GDGSXDHZOGVOHE-UHFFFAOYSA-N 0 1 293.248 3.802 20 0 CHADMN CC(=Nc1cnc(Br)cc1N)c1ccccc1 ZINC001210983088 1134342775 /nfs/dbraw/zinc/34/27/75/1134342775.db2.gz SWNSCMUBXPWXDL-UHFFFAOYSA-N 0 1 290.164 3.509 20 0 CHADMN CC(=O)c1ccc(N=C(C)c2ccccc2)cc1O ZINC001210987794 1134344491 /nfs/dbraw/zinc/34/44/91/1134344491.db2.gz UWTHTTSBEADZDO-UHFFFAOYSA-N 0 1 253.301 3.678 20 0 CHADMN C=C(Nc1c(F)cccc1NCCOC)c1ccccc1 ZINC001210991483 1134345192 /nfs/dbraw/zinc/34/51/92/1134345192.db2.gz WQKKPYHAFPADDN-UHFFFAOYSA-N 0 1 286.350 3.967 20 0 CHADMN COc1ncc(Nc2cc(C)nc3ccccc32)cc1Cl ZINC001211045613 1134355995 /nfs/dbraw/zinc/35/59/95/1134355995.db2.gz FIXNHALLWGMAJI-UHFFFAOYSA-N 0 1 299.761 3.766 20 0 CHADMN COc1cc(Nc2cc(C(F)(F)F)ccc2N)ncc1C ZINC001211149780 1134381025 /nfs/dbraw/zinc/38/10/25/1134381025.db2.gz SENJAMGFPDIZBW-UHFFFAOYSA-N 0 1 297.280 3.743 20 0 CHADMN CC(C)c1nccn1Cc1cccc(Nc2cncn2C)c1 ZINC001211250633 1134399373 /nfs/dbraw/zinc/39/93/73/1134399373.db2.gz PBQAZMUWZNYOPR-UHFFFAOYSA-N 0 1 295.390 3.532 20 0 CHADMN Cn1cncc1Nc1ccc(OCC(C)(C)C)cc1 ZINC001211252682 1134399907 /nfs/dbraw/zinc/39/99/07/1134399907.db2.gz UMKRYQJPGFXMPE-UHFFFAOYSA-N 0 1 259.353 3.589 20 0 CHADMN COc1cnccc1Nc1ccc(-c2ccc(O)cc2)cc1 ZINC001211263104 1134400166 /nfs/dbraw/zinc/40/01/66/1134400166.db2.gz GHHHRWWWUJZRJW-UHFFFAOYSA-N 0 1 292.338 3.628 20 0 CHADMN CCCCCOC(=O)c1ccc(Nc2cncn2C)cc1 ZINC001211252464 1134400221 /nfs/dbraw/zinc/40/02/21/1134400221.db2.gz NZWWFFLFBDCXMT-UHFFFAOYSA-N 0 1 287.363 3.511 20 0 CHADMN Cn1cncc1Nc1cccc(C(F)F)c1Cl ZINC001211252223 1134400299 /nfs/dbraw/zinc/40/02/99/1134400299.db2.gz GFUMHGSAVKXJCT-UHFFFAOYSA-N 0 1 257.671 3.755 20 0 CHADMN CCOC(=O)c1cccc(F)c1-c1cc(F)c(O)cc1F ZINC001211359607 1134412686 /nfs/dbraw/zinc/41/26/86/1134412686.db2.gz JOBMRLRMZHHAFY-UHFFFAOYSA-N 0 1 296.244 3.653 20 0 CHADMN COc1cc(Nc2ccc3[nH]c(C)nc3c2)ccc1F ZINC001213074186 1134421178 /nfs/dbraw/zinc/42/11/78/1134421178.db2.gz IDNVIFBMLSJEDB-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1ccc(F)c(Nc2ccnc(C(C)(C)C)c2)n1 ZINC001213163960 1134433290 /nfs/dbraw/zinc/43/32/90/1134433290.db2.gz DPRJPMHOTCASOD-UHFFFAOYSA-N 0 1 259.328 3.965 20 0 CHADMN Cc1cc(Nc2ccc3c(c2)NCC3)c2ccccc2n1 ZINC001213143498 1134430199 /nfs/dbraw/zinc/43/01/99/1134430199.db2.gz AQCMAXXTKWDVHW-UHFFFAOYSA-N 0 1 275.355 3.677 20 0 CHADMN CC(C)(C)c1cc(-n2ccc(-c3ccccc3N)n2)ccn1 ZINC001213168301 1134433790 /nfs/dbraw/zinc/43/37/90/1134433790.db2.gz DKIBVDRNEYWGSN-UHFFFAOYSA-N 0 1 292.386 3.814 20 0 CHADMN COc1ccc2nc(N)n(-c3c(F)cccc3C3CC3)c2c1 ZINC001213447578 1134448676 /nfs/dbraw/zinc/44/86/76/1134448676.db2.gz DSGBPVHUICXXOS-UHFFFAOYSA-N 0 1 297.333 3.633 20 0 CHADMN Cc1cc(C2CC2)ccc1-n1c(N)nc2ccccc21 ZINC001213859383 1134492330 /nfs/dbraw/zinc/49/23/30/1134492330.db2.gz BKYWHODCCZLSKU-UHFFFAOYSA-N 0 1 263.344 3.794 20 0 CHADMN CC(=O)c1cc(Nc2cc(C)nc3ccccc32)cs1 ZINC001214771527 1134570407 /nfs/dbraw/zinc/57/04/07/1134570407.db2.gz TXTKKFIXSBLFEO-UHFFFAOYSA-N 0 1 282.368 3.973 20 0 CHADMN COc1cc(Nc2ccc(Cl)c(O)c2F)c(C)cn1 ZINC001214797607 1134573061 /nfs/dbraw/zinc/57/30/61/1134573061.db2.gz BHYAWKAQEQMGAR-UHFFFAOYSA-N 0 1 282.702 3.640 20 0 CHADMN Cc1cccnc1Nc1ccc(Cl)c(O)c1F ZINC001214791384 1134572997 /nfs/dbraw/zinc/57/29/97/1134572997.db2.gz UNJWNWLXPRLQDY-UHFFFAOYSA-N 0 1 252.676 3.632 20 0 CHADMN Cn1ccc2cc(Nc3ccc(Cl)c(O)c3F)cnc21 ZINC001214793893 1134573288 /nfs/dbraw/zinc/57/32/88/1134573288.db2.gz PDWDBDYHEMQBFY-UHFFFAOYSA-N 0 1 291.713 3.815 20 0 CHADMN Nc1ccc(Cl)nc1Nc1ccc(Cl)c(O)c1F ZINC001214793974 1134574322 /nfs/dbraw/zinc/57/43/22/1134574322.db2.gz RMKNKQHRKBHRLI-UHFFFAOYSA-N 0 1 288.109 3.559 20 0 CHADMN COc1cccc(Nc2ccc(Cl)c(O)c2F)c1OC ZINC001214799050 1134575230 /nfs/dbraw/zinc/57/52/30/1134575230.db2.gz JUINBOGUWXULKZ-UHFFFAOYSA-N 0 1 297.713 3.946 20 0 CHADMN Oc1cnc(Nc2ccc(Cl)c(O)c2F)c(Cl)c1 ZINC001214798414 1134575258 /nfs/dbraw/zinc/57/52/58/1134575258.db2.gz QCUQTXGIUIPLAB-UHFFFAOYSA-N 0 1 289.093 3.682 20 0 CHADMN Cc1ccc(Br)cc1CN1CCC2(CC2)C1 ZINC000400042750 1134578635 /nfs/dbraw/zinc/57/86/35/1134578635.db2.gz OEZNIVKOPLBPLE-UHFFFAOYSA-N 0 1 280.209 3.743 20 0 CHADMN CSc1ccc(Nc2c(C)ncn2C)cc1Cl ZINC001215068220 1134596754 /nfs/dbraw/zinc/59/67/54/1134596754.db2.gz KSCRSUBAXIRGSZ-UHFFFAOYSA-N 0 1 267.785 3.847 20 0 CHADMN CSc1ccc(Nc2ccnc(CO)c2)cc1Cl ZINC001215068483 1134596835 /nfs/dbraw/zinc/59/68/35/1134596835.db2.gz YKFGMABDVDAYCG-UHFFFAOYSA-N 0 1 280.780 3.693 20 0 CHADMN Cc1nc2ccccc2nc1CN[C@@H](C)c1cccs1 ZINC000182173687 1134610907 /nfs/dbraw/zinc/61/09/07/1134610907.db2.gz SXLAQKKIKVNOLT-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1cccc(-c2noc(-c3c(F)cc(O)cc3F)n2)c1 ZINC001215348117 1134618748 /nfs/dbraw/zinc/61/87/48/1134618748.db2.gz PPHOYGJCFLNHHZ-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Brc1cccc(N[C@@H]2CCCc3[nH]ncc32)c1 ZINC000401804300 1134621980 /nfs/dbraw/zinc/62/19/80/1134621980.db2.gz PNTVBULLGLURJV-GFCCVEGCSA-N 0 1 292.180 3.662 20 0 CHADMN O=C([O-])c1sccc1Nc1cccc2cc[nH+]cc21 ZINC001215394113 1134622490 /nfs/dbraw/zinc/62/24/90/1134622490.db2.gz LECPIJYFJSNLHG-UHFFFAOYSA-N 0 1 270.313 3.738 20 0 CHADMN Cc1ccc(OCc2ccccc2)cc1Nc1nnco1 ZINC001215407220 1134625230 /nfs/dbraw/zinc/62/52/30/1134625230.db2.gz UUXLNSONDXLLRT-UHFFFAOYSA-N 0 1 281.315 3.701 20 0 CHADMN Fc1cc(Nc2cnccc2C2CC2)cc2[nH]ncc21 ZINC001215553855 1134639233 /nfs/dbraw/zinc/63/92/33/1134639233.db2.gz LIBGVDZEHZIRDW-UHFFFAOYSA-N 0 1 268.295 3.718 20 0 CHADMN Fc1cc(Nc2cccc(C(F)(F)F)n2)cc2[nH]ncc21 ZINC001215552766 1134639549 /nfs/dbraw/zinc/63/95/49/1134639549.db2.gz DGBFWNKOEUUMKJ-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Fc1cc(Nc2ccnc(Cl)c2F)cc2[nH]ncc21 ZINC001215553946 1134639685 /nfs/dbraw/zinc/63/96/85/1134639685.db2.gz PHTMUJOCFABMBT-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN CC(C)(O)c1ccccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555652 1134641173 /nfs/dbraw/zinc/64/11/73/1134641173.db2.gz LOHCMHWAUXMKQI-UHFFFAOYSA-N 0 1 285.322 3.673 20 0 CHADMN CC(=O)c1ccc(C)cc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215557097 1134642031 /nfs/dbraw/zinc/64/20/31/1134642031.db2.gz PIENVTCHHXIZHT-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN O=C1CCc2cccc(Nc3cc4[nH]ncc4c(F)c3)c21 ZINC001215556525 1134642074 /nfs/dbraw/zinc/64/20/74/1134642074.db2.gz FXYPPTFJHXDKQN-UHFFFAOYSA-N 0 1 281.290 3.575 20 0 CHADMN CCOc1cccc(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215556380 1134642361 /nfs/dbraw/zinc/64/23/61/1134642361.db2.gz CNQOCHNVRLFVHI-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN OCc1cc(Cl)cc(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215557013 1134642441 /nfs/dbraw/zinc/64/24/41/1134642441.db2.gz OIKGQMKWUBQPNH-UHFFFAOYSA-N 0 1 291.713 3.591 20 0 CHADMN Cc1ccc(Nc2cc(C3CCC3)nn2C)c2cn[nH]c21 ZINC001215756655 1134674747 /nfs/dbraw/zinc/67/47/47/1134674747.db2.gz UVFATNLZGRATQM-UHFFFAOYSA-N 0 1 281.363 3.616 20 0 CHADMN Cc1cnc(Nc2ccc(C)c3[nH]ncc32)c(Cl)c1 ZINC001215755086 1134674981 /nfs/dbraw/zinc/67/49/81/1134674981.db2.gz IDBAJUADMCTYQS-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1ccc(Nc2cnc(C3CC3)s2)c2cn[nH]c21 ZINC001215756042 1134675050 /nfs/dbraw/zinc/67/50/50/1134675050.db2.gz KBTOEZPZQGLTNY-UHFFFAOYSA-N 0 1 270.361 3.949 20 0 CHADMN Cc1ccc(Nc2cn(CC3CCC3)cn2)c2cn[nH]c21 ZINC001215757745 1134675739 /nfs/dbraw/zinc/67/57/39/1134675739.db2.gz YYFPROZCYQYCPI-UHFFFAOYSA-N 0 1 281.363 3.612 20 0 CHADMN Cc1ccc(Nc2cc(O)c(F)cc2F)c2cn[nH]c21 ZINC001215758195 1134675992 /nfs/dbraw/zinc/67/59/92/1134675992.db2.gz JNXGILDLSSZTQT-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1ccc(Nc2cccc(Cl)c2O)c2cn[nH]c21 ZINC001215758154 1134676067 /nfs/dbraw/zinc/67/60/67/1134676067.db2.gz HGWXDKFJLBANPL-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1ccc(Nc2ccc3c(c2)N(C)CCC3)c2cn[nH]c21 ZINC001215758288 1134676169 /nfs/dbraw/zinc/67/61/69/1134676169.db2.gz OFRSGPRQIJDWQN-UHFFFAOYSA-N 0 1 292.386 3.997 20 0 CHADMN Cc1ccc(Nc2ccc3nnsc3c2)c2cn[nH]c21 ZINC001215759975 1134677830 /nfs/dbraw/zinc/67/78/30/1134677830.db2.gz AYLPTGOBSXGPPP-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN COCCOc1cccc(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215759449 1134677902 /nfs/dbraw/zinc/67/79/02/1134677902.db2.gz KZGTXEQVEAUHOJ-UHFFFAOYSA-N 0 1 297.358 3.640 20 0 CHADMN CSc1cccc(-n2c(N)nc3c2cccc3C)c1F ZINC001215867103 1134706297 /nfs/dbraw/zinc/70/62/97/1134706297.db2.gz RDTRZDZMCDGHCS-UHFFFAOYSA-N 0 1 287.363 3.777 20 0 CHADMN CCc1ccc(-c2noc(-c3cccc(F)c3O)n2)cc1 ZINC001215866993 1134706871 /nfs/dbraw/zinc/70/68/71/1134706871.db2.gz LGEOZHSQXMYJHU-UHFFFAOYSA-N 0 1 284.290 3.811 20 0 CHADMN Cc1cc(F)ccc1-c1noc(-c2cccc(F)c2O)n1 ZINC001215862818 1134706923 /nfs/dbraw/zinc/70/69/23/1134706923.db2.gz GHNRBVCDQIMIRG-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN CCc1cccc(-c2noc(-c3cccc(F)c3O)n2)c1 ZINC001215863115 1134707162 /nfs/dbraw/zinc/70/71/62/1134707162.db2.gz OZLRYTPBMWRYEG-UHFFFAOYSA-N 0 1 284.290 3.811 20 0 CHADMN Oc1c(F)cccc1-c1nc(-c2ccc(F)cc2F)no1 ZINC001215862706 1134707220 /nfs/dbraw/zinc/70/72/20/1134707220.db2.gz ABCOJHGHRAGZEE-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN COc1ccc2nc(N)n(-c3ccc(C)cc3SC)c2c1 ZINC001215870996 1134709078 /nfs/dbraw/zinc/70/90/78/1134709078.db2.gz UKJRINSZBGHITP-UHFFFAOYSA-N 0 1 299.399 3.647 20 0 CHADMN CSc1cc(F)c(-n2c(N)nc3ccccc32)cc1F ZINC001215965475 1134735085 /nfs/dbraw/zinc/73/50/85/1134735085.db2.gz TYLDOCBTURMJAQ-UHFFFAOYSA-N 0 1 291.326 3.608 20 0 CHADMN COc1c(C)cc(C)cc1-n1c(N)nc2ccc(C)cc21 ZINC001215996652 1134746025 /nfs/dbraw/zinc/74/60/25/1134746025.db2.gz IWEYEEHINJPYTE-UHFFFAOYSA-N 0 1 281.359 3.542 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc(N)c(C(C)C)c3)c2c1 ZINC001216042585 1134757948 /nfs/dbraw/zinc/75/79/48/1134757948.db2.gz DSKFREZBGYNKCF-UHFFFAOYSA-N 0 1 280.375 3.622 20 0 CHADMN CCc1cc(Nc2c(C)nc3ccc(F)cn32)ccc1CO ZINC001216106198 1134779814 /nfs/dbraw/zinc/77/98/14/1134779814.db2.gz XECPZQLHFDHCKC-UHFFFAOYSA-N 0 1 299.349 3.580 20 0 CHADMN CN(C)Cc1cccc(Nc2ncc3ccccc3n2)c1F ZINC001216227169 1134813378 /nfs/dbraw/zinc/81/33/78/1134813378.db2.gz SVQXZRAKASJNJW-UHFFFAOYSA-N 0 1 296.349 3.574 20 0 CHADMN CN(C)Cc1cccc(Nc2ccnc(Cl)c2)c1F ZINC001216227816 1134813681 /nfs/dbraw/zinc/81/36/81/1134813681.db2.gz QMQZFCOOFYGONJ-UHFFFAOYSA-N 0 1 279.746 3.679 20 0 CHADMN Cc1cc(C)c(O)c(Nc2cccc(CN(C)C)c2F)c1 ZINC001216230768 1134814373 /nfs/dbraw/zinc/81/43/73/1134814373.db2.gz CGSFXIWUIOZPLO-UHFFFAOYSA-N 0 1 288.366 3.953 20 0 CHADMN CCc1ccc(N)c(Nc2cccc(CN(C)C)c2F)c1 ZINC001216231754 1134815286 /nfs/dbraw/zinc/81/52/86/1134815286.db2.gz DQNVPVSGFACLNQ-UHFFFAOYSA-N 0 1 287.382 3.776 20 0 CHADMN Cc1ccc(C)c(Nc2cc(C)c(C(=O)[O-])c(C)c2)[nH+]1 ZINC001216309983 1134845221 /nfs/dbraw/zinc/84/52/21/1134845221.db2.gz PPFMVOYDNMLVFU-UHFFFAOYSA-N 0 1 270.332 3.757 20 0 CHADMN CC(C)c1ccc(-n2c(N)nc3ccccc32)c(Cl)n1 ZINC001216443497 1134900069 /nfs/dbraw/zinc/90/00/69/1134900069.db2.gz PMWMFJAJAJGOBE-UHFFFAOYSA-N 0 1 286.766 3.780 20 0 CHADMN Cc1cccc2ncc(Nc3cc(F)cc(C(C)(C)O)c3)n21 ZINC001216491689 1134906966 /nfs/dbraw/zinc/90/69/66/1134906966.db2.gz ZOXBPFWDVCJWAJ-UHFFFAOYSA-N 0 1 299.349 3.753 20 0 CHADMN COc1cccc(Nc2cncn2Cc2ccccc2)c1 ZINC001216552100 1134917656 /nfs/dbraw/zinc/91/76/56/1134917656.db2.gz IGDQFTHSOYEMAE-UHFFFAOYSA-N 0 1 279.343 3.684 20 0 CHADMN C[C@@H](O)c1cccc(Nc2cncn2Cc2ccccc2)c1 ZINC001216552513 1134917663 /nfs/dbraw/zinc/91/76/63/1134917663.db2.gz RITMARXXCNUGHV-CQSZACIVSA-N 0 1 293.370 3.728 20 0 CHADMN c1ncn(Cc2ccccc2)c1Nc1ccc2c(c1)CCO2 ZINC001216553174 1134919441 /nfs/dbraw/zinc/91/94/41/1134919441.db2.gz IEFPGCLARYJWOK-UHFFFAOYSA-N 0 1 291.354 3.610 20 0 CHADMN CCc1ccc(Nc2cncn2Cc2ccccc2)c(O)c1 ZINC001216553441 1134919871 /nfs/dbraw/zinc/91/98/71/1134919871.db2.gz OHHGZXDXWXYFAY-UHFFFAOYSA-N 0 1 293.370 3.943 20 0 CHADMN Cc1cc(C)c(O)c(Nc2cncn2Cc2ccccc2)c1 ZINC001216553934 1134920236 /nfs/dbraw/zinc/92/02/36/1134920236.db2.gz RBZMRCZZFJVEEP-UHFFFAOYSA-N 0 1 293.370 3.997 20 0 CHADMN Oc1cccc(-c2nc(-c3cccc(F)c3)no2)c1Cl ZINC001216789027 1134947438 /nfs/dbraw/zinc/94/74/38/1134947438.db2.gz BXLCZBLMJPVRJT-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN Oc1c(F)ccc(-c2nc(-c3cccc(F)c3)no2)c1F ZINC001216986998 1134958542 /nfs/dbraw/zinc/95/85/42/1134958542.db2.gz ZPYIGRVNOHJAOU-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN Cc1ccc(F)c(-c2noc(-c3cnc4[nH]cccc3-4)n2)c1 ZINC001217145845 1134964887 /nfs/dbraw/zinc/96/48/87/1134964887.db2.gz MYEIXZQKMRROKA-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1c(F)cccc1-c1noc(-c2cnc3[nH]cccc2-3)n1 ZINC001217145571 1134965416 /nfs/dbraw/zinc/96/54/16/1134965416.db2.gz JTZJYQTZWOCPAG-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1cc(C)cc(-c2noc(-c3ccn4cncc4c3)n2)c1 ZINC001217330039 1134973213 /nfs/dbraw/zinc/97/32/13/1134973213.db2.gz CVTKKOGZCDUQOJ-UHFFFAOYSA-N 0 1 290.326 3.668 20 0 CHADMN Cc1cccc(-c2noc(-c3cnc4ccc[nH]c3-4)n2)c1 ZINC001217398653 1134975243 /nfs/dbraw/zinc/97/52/43/1134975243.db2.gz IEBGQXORBOJKTI-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H]2c2nnc([C@@H]3NCCC[C@H]3C)o2)cc1 ZINC001217701900 1134988162 /nfs/dbraw/zinc/98/81/62/1134988162.db2.gz GWDDHJBGXODSOP-SYAUCNOPSA-N 0 1 297.402 3.710 20 0 CHADMN CCCCC[C@H](NC)c1nnc(C2CCCC2)o1 ZINC001217755404 1134994067 /nfs/dbraw/zinc/99/40/67/1134994067.db2.gz ANNCHAXBKWWGEE-LBPRGKRZSA-N 0 1 251.374 3.568 20 0 CHADMN CC(C)(C)c1cccc(NC(=O)[C@@H](N)c2ccccc2)c1 ZINC001218900122 1135122821 /nfs/dbraw/zinc/12/28/21/1135122821.db2.gz BOCNBXWPWJOSPF-INIZCTEOSA-N 0 1 282.387 3.623 20 0 CHADMN CC(C)(C)C[C@H](O)CNCc1cc(Cl)sc1Cl ZINC000312601243 1135134096 /nfs/dbraw/zinc/13/40/96/1135134096.db2.gz LQYXLSORKRMBFA-VIFPVBQESA-N 0 1 296.263 3.942 20 0 CHADMN CCCCN(CC)Cc1cccc(O)c1Br ZINC000315587713 1135157517 /nfs/dbraw/zinc/15/75/17/1135157517.db2.gz GHBJQCCTGGDIRU-UHFFFAOYSA-N 0 1 286.213 3.777 20 0 CHADMN CC(C)=CCC/C(C)=C/CNC(=O)[C@H]1NCc2ccccc21 ZINC001220298389 1135149123 /nfs/dbraw/zinc/14/91/23/1135149123.db2.gz JZLKJRUNKQOWOZ-OTMARIDSSA-N 0 1 298.430 3.640 20 0 CHADMN CCCC1(C[NH2+]Cc2cccc([O-])c2Br)CC1 ZINC000315890623 1135162750 /nfs/dbraw/zinc/16/27/50/1135162750.db2.gz MTLOVQHHKZAQTH-UHFFFAOYSA-N 0 1 298.224 3.825 20 0 CHADMN COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000316092889 1135164583 /nfs/dbraw/zinc/16/45/83/1135164583.db2.gz QKRZBXMGUPVKSO-CYBMUJFWSA-N 0 1 299.370 3.586 20 0 CHADMN CC[C@@H](NC(=O)[C@H](N)c1ccccc1)c1ccc(C)cc1C ZINC001220963131 1135167530 /nfs/dbraw/zinc/16/75/30/1135167530.db2.gz VZERWMOJLOHQMG-QZTJIDSGSA-N 0 1 296.414 3.571 20 0 CHADMN C[C@@H]1C[C@@H](N(C)Cc2c(Cl)cccc2Cl)CCO1 ZINC000420907094 1135185925 /nfs/dbraw/zinc/18/59/25/1135185925.db2.gz USGYHBSWWUNKSY-MNOVXSKESA-N 0 1 288.218 3.993 20 0 CHADMN Cc1cc(-c2cc3[nH]nnc3cc2F)c(F)cc1Cl ZINC001222231325 1135210770 /nfs/dbraw/zinc/21/07/70/1135210770.db2.gz CLMSQLSCDJRAAV-UHFFFAOYSA-N 0 1 279.677 3.865 20 0 CHADMN COCc1ccc(Cl)c(-c2cc3[nH]nnc3cc2F)c1 ZINC001222262173 1135215507 /nfs/dbraw/zinc/21/55/07/1135215507.db2.gz PCGGLSQZNPIIHW-UHFFFAOYSA-N 0 1 291.713 3.564 20 0 CHADMN FC(F)(F)Oc1cccc(-c2cccc3cncn32)c1 ZINC001222331849 1135227135 /nfs/dbraw/zinc/22/71/35/1135227135.db2.gz QOQJIOONRBGCMT-UHFFFAOYSA-N 0 1 278.233 3.900 20 0 CHADMN CC(C)(C)N1CC(OCc2cccc3ccccc32)C1 ZINC001222768594 1135270199 /nfs/dbraw/zinc/27/01/99/1135270199.db2.gz HSQSZHZVVJTOEI-UHFFFAOYSA-N 0 1 269.388 3.839 20 0 CHADMN O=C(c1ccccc1)[C@H](OCc1cnc[nH]1)c1ccccc1 ZINC001223001477 1135294193 /nfs/dbraw/zinc/29/41/93/1135294193.db2.gz YOZCHXOQZMMXMC-GOSISDBHSA-N 0 1 292.338 3.551 20 0 CHADMN CN1CC[C@@H](OC(Cl)(Cl)c2ccc(Cl)cc2)C1 ZINC001223128048 1135308367 /nfs/dbraw/zinc/30/83/67/1135308367.db2.gz DJNCWUJDWCTZGK-LLVKDONJSA-N 0 1 294.609 3.649 20 0 CHADMN CCN1CC[C@@H](OC(Cl)(Cl)c2ccc(F)cc2)C1 ZINC001223924439 1135398315 /nfs/dbraw/zinc/39/83/15/1135398315.db2.gz SIUNWPRGPRCCQT-GFCCVEGCSA-N 0 1 292.181 3.524 20 0 CHADMN CC(C)c1cccc(COC2CCN(CCF)CC2)c1 ZINC001223946405 1135401584 /nfs/dbraw/zinc/40/15/84/1135401584.db2.gz IJYGXHWBDQRZCT-UHFFFAOYSA-N 0 1 279.399 3.761 20 0 CHADMN CC(C)(C)N1CC(OCc2cccc3ccsc32)C1 ZINC001224028128 1135411883 /nfs/dbraw/zinc/41/18/83/1135411883.db2.gz BALFPHJYOKSAQV-UHFFFAOYSA-N 0 1 275.417 3.901 20 0 CHADMN C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](OCC2CC(C)(C)C2)C1 ZINC001224769777 1135480661 /nfs/dbraw/zinc/48/06/61/1135480661.db2.gz QEVJCAIAJMFAAE-GOEBONIOSA-N 0 1 288.435 3.670 20 0 CHADMN FC(F)(F)[C@H](Oc1cccc2[nH]nnc21)c1ccccc1 ZINC001225990497 1135648765 /nfs/dbraw/zinc/64/87/65/1135648765.db2.gz AOOMXXXRIOAFQN-CYBMUJFWSA-N 0 1 293.248 3.640 20 0 CHADMN CC[C@H](Oc1cccc2[nH]nnc21)c1cccc(F)c1C ZINC001225991077 1135649594 /nfs/dbraw/zinc/64/95/94/1135649594.db2.gz SMJDCWJKMUFASY-AWEZNQCLSA-N 0 1 285.322 3.936 20 0 CHADMN Cc1ccc2nc(O[C@H](c3cccnc3)C3CC3)[nH]c2c1 ZINC001226508644 1135706076 /nfs/dbraw/zinc/70/60/76/1135706076.db2.gz MCQHXGXSOCJIAN-INIZCTEOSA-N 0 1 279.343 3.796 20 0 CHADMN CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc([O-])c1Cl)C2 ZINC001226709086 1135731210 /nfs/dbraw/zinc/73/12/10/1135731210.db2.gz LJQYHIFBBYPLEN-ITGUQSILSA-N 0 1 295.810 3.828 20 0 CHADMN CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc([O-])c1Cl)C2 ZINC001226709086 1135731213 /nfs/dbraw/zinc/73/12/13/1135731213.db2.gz LJQYHIFBBYPLEN-ITGUQSILSA-N 0 1 295.810 3.828 20 0 CHADMN Cc1ccc([C@H](C)Oc2nc3ccc(F)cc3[nH]2)cn1 ZINC001226701870 1135731324 /nfs/dbraw/zinc/73/13/24/1135731324.db2.gz XXFXFBZRIHILHM-JTQLQIEISA-N 0 1 271.295 3.545 20 0 CHADMN COc1cccc([C@@H](C)Oc2ccc3nc[nH]c3c2)c1 ZINC001226927804 1135761631 /nfs/dbraw/zinc/76/16/31/1135761631.db2.gz BBDYCLQRNBINTJ-LLVKDONJSA-N 0 1 268.316 3.712 20 0 CHADMN C[C@@H](Oc1ccc2nc[nH]c2c1)c1ccc(F)c(F)c1 ZINC001226927695 1135761872 /nfs/dbraw/zinc/76/18/72/1135761872.db2.gz AAIWDWZTGWPVIF-SECBINFHSA-N 0 1 274.270 3.981 20 0 CHADMN COc1ccc(OC)c([C@H](C)Oc2ccc3nc[nH]c3c2)c1 ZINC001226927767 1135762035 /nfs/dbraw/zinc/76/20/35/1135762035.db2.gz AUYZSVALHJTALE-NSHDSACASA-N 0 1 298.342 3.720 20 0 CHADMN c1nc2ccc(O[C@@H]3CCc4ccccc43)cc2[nH]1 ZINC001226924908 1135762174 /nfs/dbraw/zinc/76/21/74/1135762174.db2.gz PWXGJXFUDYEUEJ-MRXNPFEDSA-N 0 1 250.301 3.629 20 0 CHADMN COc1ccc([C@@H](C)Oc2ccc3nc[nH]c3c2)c(F)c1 ZINC001226930112 1135763011 /nfs/dbraw/zinc/76/30/11/1135763011.db2.gz PMMLHPUHVOHNQO-SNVBAGLBSA-N 0 1 286.306 3.851 20 0 CHADMN C[C@@H](Oc1nc2ccc(Cl)cc2[nH]1)c1ccncc1 ZINC001227262587 1135812263 /nfs/dbraw/zinc/81/22/63/1135812263.db2.gz SVWOZMCBWFETOY-SECBINFHSA-N 0 1 273.723 3.751 20 0 CHADMN C[C@@H](Oc1nc2ccc(Cl)cc2[nH]1)c1ccco1 ZINC001227266761 1135813061 /nfs/dbraw/zinc/81/30/61/1135813061.db2.gz OKSNBSUITCTLKI-MRVPVSSYSA-N 0 1 262.696 3.949 20 0 CHADMN Cc1cccc2nc(O[C@@H](C)c3cnc4ccccn43)[nH]c21 ZINC001227272475 1135814536 /nfs/dbraw/zinc/81/45/36/1135814536.db2.gz QVGNVQULJMYGMB-LBPRGKRZSA-N 0 1 292.342 3.659 20 0 CHADMN CN1CC[C@H](Oc2ccc(C(C)(C)C)cc2Cl)C1 ZINC001227301902 1135819040 /nfs/dbraw/zinc/81/90/40/1135819040.db2.gz RALDFJARFKSSIK-LBPRGKRZSA-N 0 1 267.800 3.720 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1Cc1cncc(F)c1 ZINC000347221064 529462970 /nfs/dbraw/zinc/46/29/70/529462970.db2.gz DTINCDNXCZTZSX-QGZVFWFLSA-N 0 1 270.351 3.558 20 0 CHADMN CCc1ccc(CNCc2cccc(C(F)(F)F)c2)cn1 ZINC000352257118 529653561 /nfs/dbraw/zinc/65/35/61/529653561.db2.gz QAAZWTMEVFKDKQ-UHFFFAOYSA-N 0 1 294.320 3.953 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2cc(F)ccc2OC)cn1 ZINC000352777603 529654276 /nfs/dbraw/zinc/65/42/76/529654276.db2.gz BUWFMUQMUUMOAY-LBPRGKRZSA-N 0 1 288.366 3.643 20 0 CHADMN CC[C@H](N[C@@H](c1nccn1C)C1CC1)c1cccc(F)c1 ZINC000353859421 529655318 /nfs/dbraw/zinc/65/53/18/529655318.db2.gz WNPCDINTBSIJGF-JKSUJKDBSA-N 0 1 287.382 3.751 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H](CO)c2ccsc2)s1 ZINC000349376616 529707608 /nfs/dbraw/zinc/70/76/08/529707608.db2.gz GFXGGROQUMNVOG-ZWNOBZJWSA-N 0 1 281.446 3.756 20 0 CHADMN CCc1nc(CNCC[C@H](OC)C(CC)CC)cs1 ZINC000344829063 529739842 /nfs/dbraw/zinc/73/98/42/529739842.db2.gz QFNQAVJQOUUDCD-AWEZNQCLSA-N 0 1 284.469 3.636 20 0 CHADMN CN(Cc1cccc(-c2cccnc2)c1)Cc1ccccn1 ZINC000350386613 529992759 /nfs/dbraw/zinc/99/27/59/529992759.db2.gz BPOWOBNPBDKWGX-UHFFFAOYSA-N 0 1 289.382 3.776 20 0 CHADMN CN(Cc1ccco1)C[C@@H]1CCC2(CCCCC2)O1 ZINC000190930153 530008356 /nfs/dbraw/zinc/00/83/56/530008356.db2.gz NMUVNFSIWVPUIN-HNNXBMFYSA-N 0 1 263.381 3.593 20 0 CHADMN CN(Cc1ccoc1)Cc1cc2cc(F)ccc2o1 ZINC000352649159 530013191 /nfs/dbraw/zinc/01/31/91/530013191.db2.gz IMXFVSHPMIWKHU-UHFFFAOYSA-N 0 1 259.280 3.797 20 0 CHADMN CN(Cc1cscc1Br)CC1CCC1 ZINC000347633109 530019830 /nfs/dbraw/zinc/01/98/30/530019830.db2.gz CDSQTYCWRKCYIF-UHFFFAOYSA-N 0 1 274.227 3.743 20 0 CHADMN Fc1cc2c(c(F)c1F)[C@H](N[C@H]1C=CCCC1)CC2 ZINC000449187033 260284970 /nfs/dbraw/zinc/28/49/70/260284970.db2.gz DDJAHOVLMWRPAP-CMPLNLGQSA-N 0 1 267.294 3.790 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000091781170 260457943 /nfs/dbraw/zinc/45/79/43/260457943.db2.gz NYBHNKUXOQBSDH-QMMMGPOBSA-N 0 1 299.779 3.886 20 0 CHADMN C[C@H](CN[C@H](C)c1nccs1)Oc1ccc(Cl)cc1 ZINC000091730769 260483981 /nfs/dbraw/zinc/48/39/81/260483981.db2.gz QFOPWPYQKOMVPT-GHMZBOCLSA-N 0 1 296.823 3.915 20 0 CHADMN CCO[C@@H]1C[C@@H]1N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000574030732 334985891 /nfs/dbraw/zinc/98/58/91/334985891.db2.gz PSNFEOGCVNXYLE-KSZLIROESA-N 0 1 285.362 3.682 20 0 CHADMN Cc1ccsc1CNCc1ccc2c(n1)CCCC2 ZINC000444006806 370692260 /nfs/dbraw/zinc/69/22/60/370692260.db2.gz DCXQOYIHGOQKBX-UHFFFAOYSA-N 0 1 272.417 3.620 20 0 CHADMN Cc1cc(CNCc2ccc3c(n2)CCC3)ccc1Cl ZINC000579083582 370693371 /nfs/dbraw/zinc/69/33/71/370693371.db2.gz QSPMMOZOPLXGFZ-UHFFFAOYSA-N 0 1 286.806 3.822 20 0 CHADMN Clc1ccc(CNC2(c3ccccc3)CCC2)nc1 ZINC000574228930 335002767 /nfs/dbraw/zinc/00/27/67/335002767.db2.gz XIUPRCYDTYGFOO-UHFFFAOYSA-N 0 1 272.779 3.904 20 0 CHADMN CCC(CC)(CC)[S@@](=O)C=C(O)c1cc(C)n(C)c1C ZINC000574229781 335002992 /nfs/dbraw/zinc/00/29/92/335002992.db2.gz TYCQAZVIIUOCAB-FQEVSTJZSA-N 0 1 297.464 3.542 20 0 CHADMN CCc1nc(C)c([C@H](C)N[C@@H](C)c2ccccn2)s1 ZINC000152318398 261062974 /nfs/dbraw/zinc/06/29/74/261062974.db2.gz IJYQDIJIISCPTM-QWRGUYRKSA-N 0 1 275.421 3.821 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2CC2(CC(=O)[O-])CC2)c1C ZINC000574285648 335007042 /nfs/dbraw/zinc/00/70/42/335007042.db2.gz QCMJCRGIIDFBSE-INIZCTEOSA-N 0 1 287.403 3.695 20 0 CHADMN COc1ccc(Cl)cc1[C@H](C)NCc1ccn(C)c1 ZINC000158566862 261167457 /nfs/dbraw/zinc/16/74/57/261167457.db2.gz GHTAEWSQIYIUTN-NSHDSACASA-N 0 1 278.783 3.538 20 0 CHADMN CC1(C)CC[C@@H]1NCc1ncc(-c2ccccc2F)o1 ZINC000574648875 335037183 /nfs/dbraw/zinc/03/71/83/335037183.db2.gz BBRICXBAYGQGBF-AWEZNQCLSA-N 0 1 274.339 3.759 20 0 CHADMN CC1(C)CC[C@H]1NCc1ncc(-c2ccccc2F)o1 ZINC000574648876 335037185 /nfs/dbraw/zinc/03/71/85/335037185.db2.gz BBRICXBAYGQGBF-CQSZACIVSA-N 0 1 274.339 3.759 20 0 CHADMN Cc1ccc(CCC[N@H+](C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000574697335 335040584 /nfs/dbraw/zinc/04/05/84/335040584.db2.gz PSUISPLVZKXDHG-UHFFFAOYSA-N 0 1 297.398 3.758 20 0 CHADMN CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCCCC(=O)[O-] ZINC000181562477 261903141 /nfs/dbraw/zinc/90/31/41/261903141.db2.gz ZBBFSBIXXADTMZ-INIZCTEOSA-N 0 1 263.381 3.570 20 0 CHADMN CO[C@H](C)CN(C)[C@@H](C)c1cccc(Cl)c1F ZINC000353252064 533079409 /nfs/dbraw/zinc/07/94/09/533079409.db2.gz GZJZTUKSJWLYBK-ZJUUUORDSA-N 0 1 259.752 3.507 20 0 CHADMN CC(C)CCc1noc(CN(C)[C@@H]2CCC[C@H](C)C2)n1 ZINC000519968904 260035327 /nfs/dbraw/zinc/03/53/27/260035327.db2.gz UUPHGYLLKFRNCW-UONOGXRCSA-N 0 1 279.428 3.669 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccc1C(F)(F)F)c1ccnn1C ZINC000447529309 260036131 /nfs/dbraw/zinc/03/61/31/260036131.db2.gz LNRHKNQDWLNGMC-GHMZBOCLSA-N 0 1 297.324 3.851 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)CCOCC(F)F ZINC000188804931 262330310 /nfs/dbraw/zinc/33/03/10/262330310.db2.gz GYPLIGZEHLEOLN-SNVBAGLBSA-N 0 1 277.742 3.615 20 0 CHADMN CCC[C@H](C)N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000187706948 260043055 /nfs/dbraw/zinc/04/30/55/260043055.db2.gz YSVZQEYCEVNQJV-OBJOEFQTSA-N 0 1 253.411 3.699 20 0 CHADMN Cc1ccncc1C[N@@H+](C)Cc1ccc(Cl)cc1C ZINC000355577114 262374608 /nfs/dbraw/zinc/37/46/08/262374608.db2.gz BCACNBFUELQSOH-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1ccncc1CN(C)Cc1ccc(Cl)cc1C ZINC000355577114 262374609 /nfs/dbraw/zinc/37/46/09/262374609.db2.gz BCACNBFUELQSOH-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccccc2Cl)ccn1 ZINC000391168628 262385704 /nfs/dbraw/zinc/38/57/04/262385704.db2.gz XUBYZLVNIZGVJW-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN C[C@@H](N[C@@H]1CCCN(C)c2ccccc21)c1cncc(F)c1 ZINC000334684095 533520313 /nfs/dbraw/zinc/52/03/13/533520313.db2.gz DGGAMZLYRVMAHM-CXAGYDPISA-N 0 1 299.393 3.843 20 0 CHADMN COc1cccc(CN(Cc2cccc(F)c2)C(C)C)n1 ZINC000353307306 533475201 /nfs/dbraw/zinc/47/52/01/533475201.db2.gz YFWGKORJCVNXTP-UHFFFAOYSA-N 0 1 288.366 3.640 20 0 CHADMN CSC1(CN2C[C@@H](c3ccsc3)O[C@@H](C)C2)CCC1 ZINC000356120023 533483040 /nfs/dbraw/zinc/48/30/40/533483040.db2.gz DBRCIEZBUFLMSL-JSGCOSHPSA-N 0 1 297.489 3.796 20 0 CHADMN CSCCCN1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000344241420 533565771 /nfs/dbraw/zinc/56/57/71/533565771.db2.gz NZMBWWAPAQTLKT-JTQLQIEISA-N 0 1 271.376 3.637 20 0 CHADMN C[C@@H]1CN(CCCCCF)C[C@@H](c2ccccc2)O1 ZINC000341847195 130090460 /nfs/dbraw/zinc/09/04/60/130090460.db2.gz LNSYFSMLYRSKQA-ZBFHGGJFSA-N 0 1 265.372 3.588 20 0 CHADMN CC[C@@H](C)[C@H](NCc1ncc[nH]1)c1ccc(Cl)cc1 ZINC000341869517 130097536 /nfs/dbraw/zinc/09/75/36/130097536.db2.gz BJJKFBCXLKZTFS-ABAIWWIYSA-N 0 1 277.799 3.940 20 0 CHADMN Cc1cc([C@@H](N[C@@H](C)c2nccn2C)C2CC2)ccc1F ZINC000341878320 130104592 /nfs/dbraw/zinc/10/45/92/130104592.db2.gz NEEXPAXKDMUCCJ-LRDDRELGSA-N 0 1 287.382 3.670 20 0 CHADMN OCC1(C[N@@H+](Cc2ccccc2)Cc2ccccc2F)CC1 ZINC000341910337 130122241 /nfs/dbraw/zinc/12/22/41/130122241.db2.gz AUXSIQFMJOSABI-UHFFFAOYSA-N 0 1 299.389 3.600 20 0 CHADMN OCC1(CN(Cc2ccccc2)Cc2ccccc2F)CC1 ZINC000341910337 130122244 /nfs/dbraw/zinc/12/22/44/130122244.db2.gz AUXSIQFMJOSABI-UHFFFAOYSA-N 0 1 299.389 3.600 20 0 CHADMN C[C@@H]1COC[C@H](c2ccccc2)N1CCCCCF ZINC000341914821 130126766 /nfs/dbraw/zinc/12/67/66/130126766.db2.gz ZRDZNXNZFXXRFP-GDBMZVCRSA-N 0 1 265.372 3.588 20 0 CHADMN Fc1cc(CN2CCC[C@H]2[C@@H]2CCCO2)ccc1Cl ZINC000342055910 130224554 /nfs/dbraw/zinc/22/45/54/130224554.db2.gz ZDMGXZVLEZVWJY-GJZGRUSLSA-N 0 1 283.774 3.623 20 0 CHADMN CC(C)C[C@@H](N)c1noc(Cc2ccc3c(c2)CCCC3)n1 ZINC000342032032 130247789 /nfs/dbraw/zinc/24/77/89/130247789.db2.gz XRTQRQSDIOFATO-MRXNPFEDSA-N 0 1 299.418 3.585 20 0 CHADMN C[C@@H](c1ccc(C(F)(F)F)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000342096462 130257936 /nfs/dbraw/zinc/25/79/36/130257936.db2.gz IMQCVIKWJBUOGM-LEWSCRJBSA-N 0 1 285.309 3.630 20 0 CHADMN C[C@H](c1ccc(C(F)(F)F)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000342096460 130258263 /nfs/dbraw/zinc/25/82/63/130258263.db2.gz IMQCVIKWJBUOGM-HONMWMINSA-N 0 1 285.309 3.630 20 0 CHADMN CCN(CC1CCC1)[C@H](C)c1noc(-c2ccccc2)n1 ZINC000342129922 130289467 /nfs/dbraw/zinc/28/94/67/130289467.db2.gz OPBZLFGRMOCCKT-CYBMUJFWSA-N 0 1 285.391 3.920 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)CC1(C)CCCC1 ZINC000342226038 130398091 /nfs/dbraw/zinc/39/80/91/130398091.db2.gz HYQGKLZZTKXLQS-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C[C@@H]3CCC[C@H]3C)ccc12 ZINC000347546314 533672333 /nfs/dbraw/zinc/67/23/33/533672333.db2.gz NCLNEXKGAOKBPO-PWSUYJOCSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN1[C@@H](C)CCC[C@@H]1C ZINC000001995437 169765882 /nfs/dbraw/zinc/76/58/82/169765882.db2.gz UKKOWCZAVKXTHU-GJZGRUSLSA-N 0 1 274.408 3.505 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2ccccn2)c(C)c1 ZINC000020123226 171004298 /nfs/dbraw/zinc/00/42/98/171004298.db2.gz MKNXMRDFEQFUTI-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)OCO2)c1ccccc1Cl ZINC000020124367 171006131 /nfs/dbraw/zinc/00/61/31/171006131.db2.gz FDWKAUOBLCSBKS-LLVKDONJSA-N 0 1 289.762 3.920 20 0 CHADMN Brc1ccc(CN[C@H]2CCc3ccccc32)o1 ZINC000020129695 171017949 /nfs/dbraw/zinc/01/79/49/171017949.db2.gz NKPJKPKUGYJKBM-ZDUSSCGKSA-N 0 1 292.176 3.819 20 0 CHADMN C[C@H](NCc1cccs1)c1ccc(F)cc1F ZINC000020139276 171025927 /nfs/dbraw/zinc/02/59/27/171025927.db2.gz VKLGDPBRQFPGGE-VIFPVBQESA-N 0 1 253.317 3.877 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1cccs1 ZINC000020139303 171026367 /nfs/dbraw/zinc/02/63/67/171026367.db2.gz ZCGFLPVPYBBMIQ-LBPRGKRZSA-N 0 1 261.390 3.998 20 0 CHADMN C[C@H](NCc1ccncc1)c1cc2ccccc2o1 ZINC000020140260 171026768 /nfs/dbraw/zinc/02/67/68/171026768.db2.gz UAWICKAOKWRSOC-LBPRGKRZSA-N 0 1 252.317 3.679 20 0 CHADMN C[C@@H](NCc1ccncc1)c1cc2ccccc2o1 ZINC000020140257 171026832 /nfs/dbraw/zinc/02/68/32/171026832.db2.gz UAWICKAOKWRSOC-GFCCVEGCSA-N 0 1 252.317 3.679 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cccc(F)c2)c1OC ZINC000020147996 171035464 /nfs/dbraw/zinc/03/54/64/171035464.db2.gz BJIUKGAHFOOUAF-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN C[C@@H](NCc1ccc(Br)o1)c1cccs1 ZINC000020148211 171036166 /nfs/dbraw/zinc/03/61/66/171036166.db2.gz RUISOIPBHCOVDE-MRVPVSSYSA-N 0 1 286.194 3.954 20 0 CHADMN Cc1ccc(CNCc2ccc3ccccc3n2)cc1 ZINC000020246324 171099553 /nfs/dbraw/zinc/09/95/53/171099553.db2.gz FVFVTPPETQOIQG-UHFFFAOYSA-N 0 1 262.356 3.833 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1ccc(Cl)cc1 ZINC000020253154 171105860 /nfs/dbraw/zinc/10/58/60/171105860.db2.gz IJWALJKHJMQTKI-SECBINFHSA-N 0 1 264.756 3.796 20 0 CHADMN COc1ccccc1CN[C@@H](C)c1cc(C)oc1C ZINC000020437539 171202379 /nfs/dbraw/zinc/20/23/79/171202379.db2.gz NPGKMTXFRZGBRX-LBPRGKRZSA-N 0 1 259.349 3.756 20 0 CHADMN Cc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1C ZINC000021058739 171296521 /nfs/dbraw/zinc/29/65/21/171296521.db2.gz QYWQBVANTHQJKA-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(C(C)(C)C)cc1 ZINC000032123139 171712959 /nfs/dbraw/zinc/71/29/59/171712959.db2.gz AZZHIPGKNFANFJ-ZDUSSCGKSA-N 0 1 277.408 3.669 20 0 CHADMN CCOCCN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000035098307 171976394 /nfs/dbraw/zinc/97/63/94/171976394.db2.gz RDHWMIICIGQMAS-VIFPVBQESA-N 0 1 262.180 3.681 20 0 CHADMN Fc1cccc(CNCc2ccc(Cl)cc2)c1F ZINC000035223202 172067358 /nfs/dbraw/zinc/06/73/58/172067358.db2.gz KROSOQBVSOGNAV-UHFFFAOYSA-N 0 1 267.706 3.908 20 0 CHADMN CN[C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000035465600 172212805 /nfs/dbraw/zinc/21/28/05/172212805.db2.gz UUKQDRNMCVAALL-HNNXBMFYSA-N 0 1 261.752 3.657 20 0 CHADMN Cc1csc(CN[C@H](C)c2ccc(C)cc2C)n1 ZINC000038090683 174103688 /nfs/dbraw/zinc/10/36/88/174103688.db2.gz GTKJYKKPVJHBCI-CYBMUJFWSA-N 0 1 260.406 3.919 20 0 CHADMN CC[C@H](NCc1nc(C)cs1)c1ccc(OC)cc1 ZINC000038090704 174103862 /nfs/dbraw/zinc/10/38/62/174103862.db2.gz RRDQZNUZDNWMBM-AWEZNQCLSA-N 0 1 276.405 3.701 20 0 CHADMN Brc1ccsc1CNCc1cccs1 ZINC000043674858 175088031 /nfs/dbraw/zinc/08/80/31/175088031.db2.gz DSFBIQHHUXYOOA-UHFFFAOYSA-N 0 1 288.235 3.862 20 0 CHADMN C[C@@H](NCc1cnn2ccccc12)c1ccc(Cl)s1 ZINC000071372913 176138536 /nfs/dbraw/zinc/13/85/36/176138536.db2.gz WDCFBRWXSMDLEN-SNVBAGLBSA-N 0 1 291.807 3.900 20 0 CHADMN Cn1ccc(CN[C@H](Cc2ccccc2)c2cccs2)n1 ZINC000344347235 225039105 /nfs/dbraw/zinc/03/91/05/225039105.db2.gz RVPQAGJXLKOABG-MRXNPFEDSA-N 0 1 297.427 3.555 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cc4[nH]ccc4s3)[nH]c2c1 ZINC000344472737 225068887 /nfs/dbraw/zinc/06/88/87/225068887.db2.gz FDFXMXZLTXGNPA-UHFFFAOYSA-N 0 1 296.355 3.666 20 0 CHADMN Cc1n[nH]cc1CN[C@H](c1cc2ccccc2o1)C(C)C ZINC000344510173 225087883 /nfs/dbraw/zinc/08/78/83/225087883.db2.gz COWPVKQPKMIASE-KRWDZBQOSA-N 0 1 283.375 3.951 20 0 CHADMN Cc1nc2ccc(CSc3ncccc3C)cc2[nH]1 ZINC000344601428 225115803 /nfs/dbraw/zinc/11/58/03/225115803.db2.gz HNSQVFISJMJJMX-UHFFFAOYSA-N 0 1 269.373 3.867 20 0 CHADMN c1cc(-c2nc(CN[C@H]3CCCSC3)cs2)cs1 ZINC000344718845 225157898 /nfs/dbraw/zinc/15/78/98/225157898.db2.gz FKNFZTJYBDPJCR-NSHDSACASA-N 0 1 296.486 3.857 20 0 CHADMN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@@H](C(C)(C)C)C1 ZINC000334746570 225271837 /nfs/dbraw/zinc/27/18/37/225271837.db2.gz AVLCUUDMOONIOW-QWHCGFSZSA-N 0 1 299.418 3.764 20 0 CHADMN Cc1nc2c(s1)[C@@H](NCc1ccc(C)c(C)n1)CCC2 ZINC000334718310 225286912 /nfs/dbraw/zinc/28/69/12/225286912.db2.gz KECHPIYTCDNTRI-AWEZNQCLSA-N 0 1 287.432 3.631 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@@H]1CC12CCSCC2 ZINC000334676569 225244511 /nfs/dbraw/zinc/24/45/11/225244511.db2.gz QPOLDUXXVBQSIW-VIFPVBQESA-N 0 1 297.807 3.517 20 0 CHADMN c1sc(CN2CCC[C@@]3(CCSC3)C2)nc1C1CC1 ZINC000334656768 225260191 /nfs/dbraw/zinc/26/01/91/225260191.db2.gz YVUOKDHGYIXVPQ-OAHLLOKOSA-N 0 1 294.489 3.740 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2COCc3ccccc32)cs1 ZINC000334908752 225362086 /nfs/dbraw/zinc/36/20/86/225362086.db2.gz NBZVXONDEAKGQF-MLGOLLRUSA-N 0 1 273.401 3.979 20 0 CHADMN C[C@H](NCc1cncc(F)c1)c1cc2cccc(F)c2o1 ZINC000347185099 226072158 /nfs/dbraw/zinc/07/21/58/226072158.db2.gz BULDQPWMINRLGE-JTQLQIEISA-N 0 1 288.297 3.957 20 0 CHADMN Cc1nnc(CN2CC[C@@H](C(C)(C)C)C[C@H]2C)n1C1CC1 ZINC000347610042 226200025 /nfs/dbraw/zinc/20/00/25/226200025.db2.gz ZHAZUJSZARBFOY-TZMCWYRMSA-N 0 1 290.455 3.568 20 0 CHADMN C[C@H](N[C@@H]1CSC[C@H]1C)c1ncc(-c2ccccc2)o1 ZINC000367002346 226204335 /nfs/dbraw/zinc/20/43/35/226204335.db2.gz JJYRILFHTXVBDJ-MBNYWOFBSA-N 0 1 288.416 3.744 20 0 CHADMN C[C@@H]1CCN(Cc2cscc2Br)[C@@H]1C ZINC000347921616 226392824 /nfs/dbraw/zinc/39/28/24/226392824.db2.gz QVJAGBPZJKQYAJ-RKDXNWHRSA-N 0 1 274.227 3.741 20 0 CHADMN Fc1cccc2c1CN(Cc1cccc3cccnc31)CC2 ZINC000347953604 226395142 /nfs/dbraw/zinc/39/51/42/226395142.db2.gz SYSFHPWUCBZJDR-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN OC[C@H]1c2ccccc2CCN1Cc1ccc2occc2c1 ZINC000347875719 226388029 /nfs/dbraw/zinc/38/80/29/226388029.db2.gz XEVLKBIZOAXUSI-SFHVURJKSA-N 0 1 293.366 3.525 20 0 CHADMN Cc1ccc(F)cc1CN[C@H]1c2ccc(F)cc2O[C@H]1C ZINC000575156853 335073481 /nfs/dbraw/zinc/07/34/81/335073481.db2.gz BVRNSGDLDDCOPK-APPDUMDISA-N 0 1 289.325 3.885 20 0 CHADMN CCCN(CC(=O)Nc1ccccc1C(C)C)C1CC1 ZINC000171682616 335074363 /nfs/dbraw/zinc/07/43/63/335074363.db2.gz TYVOEPPGOPAKHE-UHFFFAOYSA-N 0 1 274.408 3.623 20 0 CHADMN CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCCCC(=O)[O-])o1 ZINC000575188025 335077841 /nfs/dbraw/zinc/07/78/41/335077841.db2.gz GKPAIWJWRQABRW-DZGCQCFKSA-N 0 1 293.407 3.870 20 0 CHADMN Cc1nocc1CN(C1CC1)[C@H]1CCc2ccccc21 ZINC000350554296 227032661 /nfs/dbraw/zinc/03/26/61/227032661.db2.gz GWMVCXHBZZQGFN-KRWDZBQOSA-N 0 1 268.360 3.635 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1cc2c(s1)CCCC2 ZINC000352625294 227117325 /nfs/dbraw/zinc/11/73/25/227117325.db2.gz FVHNWYRNBWKRIZ-UHFFFAOYSA-N 0 1 297.383 3.756 20 0 CHADMN CC[C@@H](C)CN(C)Cc1csc(-c2ccco2)n1 ZINC000171884309 335083795 /nfs/dbraw/zinc/08/37/95/335083795.db2.gz GYCKNFBDZBRXER-LLVKDONJSA-N 0 1 264.394 3.881 20 0 CHADMN CCn1cncc1CNC(C)(C)c1ccc(Cl)cc1 ZINC000417905537 227132454 /nfs/dbraw/zinc/13/24/54/227132454.db2.gz YNYIGLAUSMZJFW-UHFFFAOYSA-N 0 1 277.799 3.581 20 0 CHADMN Cc1ncc(CN2CCC[C@@H]3CCC[C@@H]32)n1-c1ccccc1 ZINC000352728593 227192055 /nfs/dbraw/zinc/19/20/55/227192055.db2.gz ZQYHPDOLIVETNF-LPHOPBHVSA-N 0 1 295.430 3.945 20 0 CHADMN Cc1cc(CN2C[C@@H](C)CC[C@@H]2c2ccccc2)nn1C ZINC000352803479 227241493 /nfs/dbraw/zinc/24/14/93/227241493.db2.gz OHASJURAYCKKNG-KBXCAEBGSA-N 0 1 283.419 3.702 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1cc(O)ccc1Br ZINC000354992674 227292893 /nfs/dbraw/zinc/29/28/93/227292893.db2.gz MFYILMFDLZUZLX-NXEZZACHSA-N 0 1 284.197 3.528 20 0 CHADMN Cc1nn2c(CN3[C@H](C)CC[C@H]3C)c(C(C)C)nc2s1 ZINC000354991719 227293185 /nfs/dbraw/zinc/29/31/85/227293185.db2.gz IARVTPILNOHDLS-GHMZBOCLSA-N 0 1 292.452 3.595 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1csc(Br)c1 ZINC000354993860 227293337 /nfs/dbraw/zinc/29/33/37/227293337.db2.gz PPNNSTLRBZJZQV-RKDXNWHRSA-N 0 1 274.227 3.883 20 0 CHADMN c1cn(Cc2ccccc2)c(NCc2ccsc2)n1 ZINC000351551414 227861394 /nfs/dbraw/zinc/86/13/94/227861394.db2.gz WIIOSBHTGRWNCK-UHFFFAOYSA-N 0 1 269.373 3.605 20 0 CHADMN C[C@@H](Nc1ccc2nn[nH]c2c1)C1CCC(F)(F)CC1 ZINC000329971422 228002779 /nfs/dbraw/zinc/00/27/79/228002779.db2.gz VOSSPBSFQZFBHG-SECBINFHSA-N 0 1 280.322 3.584 20 0 CHADMN C[C@@H](Nc1ccc2n[nH]nc2c1)C1CCC(F)(F)CC1 ZINC000329971422 228002781 /nfs/dbraw/zinc/00/27/81/228002781.db2.gz VOSSPBSFQZFBHG-SECBINFHSA-N 0 1 280.322 3.584 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN2CCC(OC3CCC3)CC2)o1 ZINC000418087405 228022722 /nfs/dbraw/zinc/02/27/22/228022722.db2.gz CANWKAOYGPBELA-SUMWQHHRSA-N 0 1 289.419 3.937 20 0 CHADMN Cc1ccc(C)c(CN[C@@H]2COCc3ccccc32)c1 ZINC000418095066 228032321 /nfs/dbraw/zinc/03/23/21/228032321.db2.gz FTEJWDXOKOKBLC-GOSISDBHSA-N 0 1 267.372 3.665 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(F)cc(F)c2)cc1O ZINC000353428541 228100559 /nfs/dbraw/zinc/10/05/59/228100559.db2.gz RJUBRSYMJLHZKI-JTQLQIEISA-N 0 1 293.313 3.530 20 0 CHADMN C[C@@H]1CCCCCN1Cc1nccn1Cc1ccccc1 ZINC000353512252 228112437 /nfs/dbraw/zinc/11/24/37/228112437.db2.gz UCVQLKDJDPJKOP-MRXNPFEDSA-N 0 1 283.419 3.696 20 0 CHADMN C[C@@H]1CCCN(Cc2cscc2C(F)(F)F)C1 ZINC000356091721 228117309 /nfs/dbraw/zinc/11/73/09/228117309.db2.gz TYCFSQRWRUSICD-SECBINFHSA-N 0 1 263.328 3.999 20 0 CHADMN Cc1noc([C@@H]2CCCCN2CCCCOC(C)(C)C)n1 ZINC000353554858 228119526 /nfs/dbraw/zinc/11/95/26/228119526.db2.gz MHLAROIFURENII-AWEZNQCLSA-N 0 1 295.427 3.500 20 0 CHADMN Cc1noc([C@@H]2CCCCN2CCCC(C)(C)C)n1 ZINC000353558229 228120747 /nfs/dbraw/zinc/12/07/47/228120747.db2.gz XEVUFPLFGZUXHF-ZDUSSCGKSA-N 0 1 265.401 3.731 20 0 CHADMN [O-]c1cccc(C[NH+](C2CCC2)C2CCC2)c1Cl ZINC000353589547 228127049 /nfs/dbraw/zinc/12/70/49/228127049.db2.gz HKZGAETUGLFWDI-UHFFFAOYSA-N 0 1 265.784 3.953 20 0 CHADMN Fc1ccc(CN2CCC[C@@]3(CCCOC3)C2)c(Cl)c1 ZINC000353769369 228151739 /nfs/dbraw/zinc/15/17/39/228151739.db2.gz ROMQIFFQBQMMLA-MRXNPFEDSA-N 0 1 297.801 3.872 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H](c2nccn2C)C2CC2)c1C ZINC000353862242 228159904 /nfs/dbraw/zinc/15/99/04/228159904.db2.gz FXCFTWDOBOIUQT-WMLDXEAASA-N 0 1 283.419 3.839 20 0 CHADMN C[C@H]1c2ccccc2CN1Cc1ccccc1N(C)C ZINC000353876926 228161680 /nfs/dbraw/zinc/16/16/80/228161680.db2.gz AEZFCNLXOQQRSS-AWEZNQCLSA-N 0 1 266.388 3.829 20 0 CHADMN Cc1ccc([C@H]2CCCCCN2Cc2cnc(C)nc2)o1 ZINC000352016672 228174507 /nfs/dbraw/zinc/17/45/07/228174507.db2.gz YWRVCZBEQHUKFD-MRXNPFEDSA-N 0 1 285.391 3.804 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CC[C@@H](C)F)[C@@H](C)CO1 ZINC000352023827 228175382 /nfs/dbraw/zinc/17/53/82/228175382.db2.gz AVBQHDKPKKTVAP-YCPHGPKFSA-N 0 1 265.372 3.505 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2cncc(Br)c2)C1 ZINC000167566764 228179055 /nfs/dbraw/zinc/17/90/55/228179055.db2.gz XEQJAHMUVOSORA-UTUOFQBUSA-N 0 1 297.240 3.711 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2cncc(Br)c2)C1 ZINC000167566764 228179056 /nfs/dbraw/zinc/17/90/56/228179056.db2.gz XEQJAHMUVOSORA-UTUOFQBUSA-N 0 1 297.240 3.711 20 0 CHADMN Cc1[nH]ncc1C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000352224624 228201354 /nfs/dbraw/zinc/20/13/54/228201354.db2.gz BFSMDSLOUJFMKJ-UHFFFAOYSA-N 0 1 297.383 3.627 20 0 CHADMN C[C@H]1CCCC[C@@H]1c1noc(-c2cc3cccnc3[nH]2)n1 ZINC000333841812 228216361 /nfs/dbraw/zinc/21/63/61/228216361.db2.gz LIOHZGNNAHJLQU-JQWIXIFHSA-N 0 1 282.347 3.907 20 0 CHADMN CC[C@@H](N[C@H](CCO)c1ccco1)c1cccs1 ZINC000186516446 260091415 /nfs/dbraw/zinc/09/14/15/260091415.db2.gz BSNHUXXWDWCZEP-VXGBXAGGSA-N 0 1 265.378 3.506 20 0 CHADMN Fc1ccc(F)c(CNCCOc2ccc(Cl)cc2)c1 ZINC000512810516 260041139 /nfs/dbraw/zinc/04/11/39/260041139.db2.gz SGKWQAQQFJJYJW-UHFFFAOYSA-N 0 1 297.732 3.787 20 0 CHADMN CCc1ccc(CN2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000179621380 260058628 /nfs/dbraw/zinc/05/86/28/260058628.db2.gz IMTBLOMPLQRUKO-SNVBAGLBSA-N 0 1 261.287 3.616 20 0 CHADMN CCc1ccc(CN2CCC[C@H]2c2cccn2C)o1 ZINC000179706767 260064006 /nfs/dbraw/zinc/06/40/06/260064006.db2.gz JWCDDYMRTPIDAY-INIZCTEOSA-N 0 1 258.365 3.518 20 0 CHADMN C[C@@H](NC[C@H]1CCCC[N@@H+]1C1CC1)c1cccc(F)c1F ZINC000447594202 260067448 /nfs/dbraw/zinc/06/74/48/260067448.db2.gz XOEYUKUVSGIJGV-TZMCWYRMSA-N 0 1 294.389 3.632 20 0 CHADMN Cc1c([C@H](C)N[C@H]2CCSc3ccccc32)cnn1C ZINC000037167522 260072858 /nfs/dbraw/zinc/07/28/58/260072858.db2.gz SZCNFCOPAPYSGY-NHYWBVRUSA-N 0 1 287.432 3.616 20 0 CHADMN COc1cccc(Cl)c1CN(C)CCC1CCOCC1 ZINC000179847585 260077442 /nfs/dbraw/zinc/07/74/42/260077442.db2.gz LCUCONCPOQCTGD-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnn(C)c1C)c1ccccc1OC ZINC000037321742 260088901 /nfs/dbraw/zinc/08/89/01/260088901.db2.gz DFDQROSUZONWDO-BLLLJJGKSA-N 0 1 287.407 3.539 20 0 CHADMN Cn1cccc1CN1CCC[C@H]1c1cccc(F)c1 ZINC000180155819 260095094 /nfs/dbraw/zinc/09/50/94/260095094.db2.gz ZFPLDUJYCSJYOX-INIZCTEOSA-N 0 1 258.340 3.501 20 0 CHADMN COc1cccc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)c1 ZINC000037488886 260110184 /nfs/dbraw/zinc/11/01/84/260110184.db2.gz UMXRFNXUWZVRCK-BLLLJJGKSA-N 0 1 271.360 3.701 20 0 CHADMN C[C@@H](N[C@H]1CCc2c1cccc2O)c1ccccc1F ZINC000037764576 260116651 /nfs/dbraw/zinc/11/66/51/260116651.db2.gz HKHYWEUKAGHXHL-BZNIZROVSA-N 0 1 271.335 3.869 20 0 CHADMN COc1cccc(CN[C@H](C)c2cccc(Cl)c2)n1 ZINC000070093355 260151990 /nfs/dbraw/zinc/15/19/90/260151990.db2.gz WEOPJRPNDCFFSB-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN CN(CCC1CC1)Cc1ccc(F)cc1Br ZINC000309309574 260152433 /nfs/dbraw/zinc/15/24/33/260152433.db2.gz BOWJDTNWJKUIDE-UHFFFAOYSA-N 0 1 286.188 3.820 20 0 CHADMN CCSCC[C@@H](C)Nc1ccnc(C)c1Cl ZINC000309354143 260155462 /nfs/dbraw/zinc/15/54/62/260155462.db2.gz NAWZIKRQLVTUSU-SECBINFHSA-N 0 1 258.818 3.987 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1nccn1C)c1ccc(F)cc1 ZINC000070444085 260157297 /nfs/dbraw/zinc/15/72/97/260157297.db2.gz KMSMLYOKFRBXFC-SWLSCSKDSA-N 0 1 275.371 3.607 20 0 CHADMN CC(C)C[C@H](N[C@@H](C)c1nccn1C)c1ccccc1 ZINC000070444326 260157408 /nfs/dbraw/zinc/15/74/08/260157408.db2.gz VZLPWCTYXXKMHE-HOCLYGCPSA-N 0 1 271.408 3.858 20 0 CHADMN Cc1ncc(CN[C@H](C)c2ccccc2Cl)s1 ZINC000037505306 260160965 /nfs/dbraw/zinc/16/09/65/260160965.db2.gz IVPAOXYXODEZKU-SECBINFHSA-N 0 1 266.797 3.956 20 0 CHADMN CCC[C@H](NCc1cn2ccccc2n1)c1ccccc1 ZINC000072835455 260164356 /nfs/dbraw/zinc/16/43/56/260164356.db2.gz QKDVEEQYGBOFDY-KRWDZBQOSA-N 0 1 279.387 3.965 20 0 CHADMN Cc1nc(C)c(CNCc2ccccc2OC(F)F)s1 ZINC000076865584 260166767 /nfs/dbraw/zinc/16/67/67/260166767.db2.gz VTFWKDRXBSPEPM-UHFFFAOYSA-N 0 1 298.358 3.651 20 0 CHADMN COc1ccccc1[C@H](C)NCc1sc(C)nc1C ZINC000080692787 260181441 /nfs/dbraw/zinc/18/14/41/260181441.db2.gz UAOFSNBHGYJGKO-JTQLQIEISA-N 0 1 276.405 3.619 20 0 CHADMN FC(F)(F)OCCNCc1cc(Cl)sc1Cl ZINC000312750075 260196243 /nfs/dbraw/zinc/19/62/43/260196243.db2.gz GOHGILASAFIEGT-UHFFFAOYSA-N 0 1 294.125 3.681 20 0 CHADMN COCc1ccc(CNCc2ccsc2Cl)cc1 ZINC000312752697 260197483 /nfs/dbraw/zinc/19/74/83/260197483.db2.gz CGBNPLQNLAHPOZ-UHFFFAOYSA-N 0 1 281.808 3.838 20 0 CHADMN C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1 ZINC000525488223 260200958 /nfs/dbraw/zinc/20/09/58/260200958.db2.gz GVNAHWZBCFHKLI-AWEZNQCLSA-N 0 1 289.806 3.723 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2NCc1ccc2ccccc2n1 ZINC000086317273 260207502 /nfs/dbraw/zinc/20/75/02/260207502.db2.gz FDSORQYBBBKVCW-KRWDZBQOSA-N 0 1 278.355 3.995 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809584 260209879 /nfs/dbraw/zinc/20/98/79/260209879.db2.gz QIPHBTLDERFNEZ-CJNGLKHVSA-N 0 1 293.382 3.854 20 0 CHADMN CC[C@@H](NCc1cc(OC)cc(C)n1)c1ccccc1 ZINC000214096640 260230758 /nfs/dbraw/zinc/23/07/58/260230758.db2.gz PNYGAZTVDMCCIP-QGZVFWFLSA-N 0 1 270.376 3.640 20 0 CHADMN CC(C)COCCN[C@@H](C)c1c(F)cccc1Cl ZINC000310980870 260233859 /nfs/dbraw/zinc/23/38/59/260233859.db2.gz TUGRNFXXIURXTF-NSHDSACASA-N 0 1 273.779 3.802 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1C[C@@H](C)CC[C@@H]1C ZINC000088706304 260234454 /nfs/dbraw/zinc/23/44/54/260234454.db2.gz WJGBHYRBEXRWOF-KBPBESRZSA-N 0 1 289.419 3.908 20 0 CHADMN COC[C@H](N[C@@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000089668368 260236902 /nfs/dbraw/zinc/23/69/02/260236902.db2.gz ZOHMWORGIHKCFB-GUYCJALGSA-N 0 1 273.351 3.864 20 0 CHADMN COC[C@@H](N[C@H](C)c1ccc(OC)cc1)c1ccccc1 ZINC000089668803 260237781 /nfs/dbraw/zinc/23/77/81/260237781.db2.gz GHPMALAPZPOJQH-RDTXWAMCSA-N 0 1 285.387 3.734 20 0 CHADMN CC(C)c1ccc(CNCc2cncn2C(C)C)cc1 ZINC000090208926 260239063 /nfs/dbraw/zinc/23/90/63/260239063.db2.gz IHMCRXHCNCMCLM-UHFFFAOYSA-N 0 1 271.408 3.877 20 0 CHADMN COc1ccc([C@H](NCc2ncc(C)s2)C2CC2)cc1 ZINC000091348583 260265613 /nfs/dbraw/zinc/26/56/13/260265613.db2.gz RMPIKNNFYNIDIK-MRXNPFEDSA-N 0 1 288.416 3.701 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2cnccn2)c(C)s1 ZINC000070478900 260267430 /nfs/dbraw/zinc/26/74/30/260267430.db2.gz UJSXSPMVQVWAFJ-GHMZBOCLSA-N 0 1 261.394 3.567 20 0 CHADMN Cc1cccc(CN(C)CCSc2ccccc2)n1 ZINC000092695994 260272228 /nfs/dbraw/zinc/27/22/28/260272228.db2.gz BKKRXMYOWIYYAY-UHFFFAOYSA-N 0 1 272.417 3.614 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000516932287 260298758 /nfs/dbraw/zinc/29/87/58/260298758.db2.gz ILRUQBJWBHCPDS-KRWDZBQOSA-N 0 1 275.392 3.787 20 0 CHADMN CC1CCC([N@@H+](Cc2ccsc2C(=O)[O-])C2CC2)CC1 ZINC000517949562 260325268 /nfs/dbraw/zinc/32/52/68/260325268.db2.gz YACQKUYOAUMZNF-UHFFFAOYSA-N 0 1 293.432 3.989 20 0 CHADMN Cc1ccc(F)c(CN2CCC(F)(F)[C@@H](C)C2)c1 ZINC000518095793 260342301 /nfs/dbraw/zinc/34/23/01/260342301.db2.gz KQFMJNUNKTURCM-NSHDSACASA-N 0 1 257.299 3.611 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](C)CC[C@@H]1C)c1nc(C(C)(C)C)no1 ZINC000449278968 260345976 /nfs/dbraw/zinc/34/59/76/260345976.db2.gz NHKIVYCTMHSCKC-MROQNXINSA-N 0 1 279.428 3.842 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1ccccn1 ZINC000128171527 260372566 /nfs/dbraw/zinc/37/25/66/260372566.db2.gz SLWQZLHOGFZJIP-BDJLRTHQSA-N 0 1 256.324 3.559 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)N[C@H](C)c1cncs1 ZINC000128618682 260376640 /nfs/dbraw/zinc/37/66/40/260376640.db2.gz OFEMEOYYNUDFJS-VXGBXAGGSA-N 0 1 276.405 3.872 20 0 CHADMN CC[C@H](NCc1ccoc1)c1ccc(OC)c(OC)c1 ZINC000129305329 260385438 /nfs/dbraw/zinc/38/54/38/260385438.db2.gz MNFDGNRNULXWIR-AWEZNQCLSA-N 0 1 275.348 3.538 20 0 CHADMN CCC1(CN[C@H](C)c2ncc(Br)s2)CC1 ZINC000130504031 260396541 /nfs/dbraw/zinc/39/65/41/260396541.db2.gz NFGWTURJCRXNNM-MRVPVSSYSA-N 0 1 289.242 3.746 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000091781170 260457942 /nfs/dbraw/zinc/45/79/42/260457942.db2.gz NYBHNKUXOQBSDH-QMMMGPOBSA-N 0 1 299.779 3.886 20 0 CHADMN CN(C(=O)c1cc(Cl)c2ccccc2c1O)C1CCC1 ZINC000091683807 260482576 /nfs/dbraw/zinc/48/25/76/260482576.db2.gz PTEYZJMAMJKUCM-UHFFFAOYSA-N 0 1 289.762 3.823 20 0 CHADMN Cn1ccnc1[C@@H](NC1CC2(CCC2)C1)c1ccc(F)cc1 ZINC000448079046 260816445 /nfs/dbraw/zinc/81/64/45/260816445.db2.gz YNKJJWNJDVIXJK-INIZCTEOSA-N 0 1 299.393 3.571 20 0 CHADMN COc1ccc(F)cc1CN[C@@H](c1cccnc1)C(C)C ZINC000427855251 260862400 /nfs/dbraw/zinc/86/24/00/260862400.db2.gz SCNZMSZBEAECAQ-QGZVFWFLSA-N 0 1 288.366 3.716 20 0 CHADMN Cc1cc(C)n(-c2ccccc2CNCc2occc2C)n1 ZINC000152288745 261062848 /nfs/dbraw/zinc/06/28/48/261062848.db2.gz JUIAWNRBZIQWKA-UHFFFAOYSA-N 0 1 295.386 3.680 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@H](C)c2ccccn2)c1 ZINC000152362431 261063344 /nfs/dbraw/zinc/06/33/44/261063344.db2.gz PENRNSCQRKOQDM-ZIAGYGMSSA-N 0 1 270.376 3.892 20 0 CHADMN COc1cccc(CNC2(c3cccc(F)c3)CC2)c1 ZINC000152866301 261070610 /nfs/dbraw/zinc/07/06/10/261070610.db2.gz GXGAARSLKXFDMO-UHFFFAOYSA-N 0 1 271.335 3.613 20 0 CHADMN c1csc(-c2cc(CN3C[C@H]4CCC[C@@H]4C3)no2)c1 ZINC000153335022 261077256 /nfs/dbraw/zinc/07/72/56/261077256.db2.gz KLRCWHUKYFQCAS-VXGBXAGGSA-N 0 1 274.389 3.635 20 0 CHADMN CCOc1ccc(-c2nc(CN(C)C3CCC3)co2)cc1 ZINC000153828907 261083477 /nfs/dbraw/zinc/08/34/77/261083477.db2.gz LINGIANBWGNUFA-UHFFFAOYSA-N 0 1 286.375 3.725 20 0 CHADMN c1ccc2nc(CN3CCC[C@@H]3c3ccncc3)ccc2c1 ZINC000153890007 261084602 /nfs/dbraw/zinc/08/46/02/261084602.db2.gz FFBWLTXKDHJUAW-LJQANCHMSA-N 0 1 289.382 3.967 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)c1cncs1 ZINC000154052048 261087522 /nfs/dbraw/zinc/08/75/22/261087522.db2.gz TZSBUYRCNIIURV-STQMWFEESA-N 0 1 298.415 3.741 20 0 CHADMN COc1ccnc(CN[C@@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000154330405 261090795 /nfs/dbraw/zinc/09/07/95/261090795.db2.gz SSPXHHJBUAGDJC-AWEZNQCLSA-N 0 1 296.414 3.820 20 0 CHADMN CCc1nc(C)c([C@H](C)NCc2cccc(O)c2)s1 ZINC000154396030 261090964 /nfs/dbraw/zinc/09/09/64/261090964.db2.gz IPJRKLBFGKZDNR-JTQLQIEISA-N 0 1 276.405 3.570 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)C3[C@@H]4CCC[C@H]34)c2C1 ZINC000154859604 261095873 /nfs/dbraw/zinc/09/58/73/261095873.db2.gz JZSVJMHXUTUINU-MVVMVCHASA-N 0 1 298.430 3.643 20 0 CHADMN CCCN(Cc1nnc(-c2ccccc2)s1)CC1CC1 ZINC000155074031 261097557 /nfs/dbraw/zinc/09/75/57/261097557.db2.gz DPMMXEQFASERJM-UHFFFAOYSA-N 0 1 287.432 3.827 20 0 CHADMN C[C@@H](O)C[C@H]1CCCCN1Cc1ncc(C(C)(C)C)s1 ZINC000448372592 261132290 /nfs/dbraw/zinc/13/22/90/261132290.db2.gz PHFCYALOJJWTHQ-CHWSQXEVSA-N 0 1 296.480 3.566 20 0 CHADMN Cc1ccccc1CN[C@@H](C)c1cccnc1Cl ZINC000157128759 261140708 /nfs/dbraw/zinc/14/07/08/261140708.db2.gz WLERXVPGEBNLEO-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN CO[C@@](C)(CN[C@@H](C)c1csc(C(C)C)n1)C1CC1 ZINC000361000301 261145906 /nfs/dbraw/zinc/14/59/06/261145906.db2.gz YQKPEKQPICHCGM-NHYWBVRUSA-N 0 1 282.453 3.732 20 0 CHADMN CC(=O)Nc1ccccc1CN(C)[C@@H](C)c1cccs1 ZINC000157857423 261153711 /nfs/dbraw/zinc/15/37/11/261153711.db2.gz ZRDPCWSEAJMRAY-LBPRGKRZSA-N 0 1 288.416 3.900 20 0 CHADMN CCCC(=O)Nc1ccc(CN[C@H](C)c2ccccn2)cc1 ZINC000158658895 261168737 /nfs/dbraw/zinc/16/87/37/261168737.db2.gz NDGFAASCQZQROU-CQSZACIVSA-N 0 1 297.402 3.671 20 0 CHADMN Cc1cc([C@H](NCc2ccccn2)C2CC2)ccc1F ZINC000158725745 261170355 /nfs/dbraw/zinc/17/03/55/261170355.db2.gz NLVCVBMXOGRNTM-QGZVFWFLSA-N 0 1 270.351 3.770 20 0 CHADMN c1coc(-c2cc(CN3CCC[C@H]4CCC[C@@H]43)no2)c1 ZINC000173814985 261171805 /nfs/dbraw/zinc/17/18/05/261171805.db2.gz HNFPHLZVQUCGAQ-OCCSQVGLSA-N 0 1 272.348 3.699 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cccc3ccccc32)[C@H]1C(=O)[O-] ZINC000300295492 261190054 /nfs/dbraw/zinc/19/00/54/261190054.db2.gz OUZXAYMNIWBBJU-SUMWQHHRSA-N 0 1 283.371 3.525 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2)[C@H]1C(=O)[O-] ZINC000300295482 261190412 /nfs/dbraw/zinc/19/04/12/261190412.db2.gz ORMYSEIKBZOPMQ-XJKSGUPXSA-N 0 1 289.419 3.669 20 0 CHADMN CCC[C@@H](C)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000161531269 261250152 /nfs/dbraw/zinc/25/01/52/261250152.db2.gz SDDKJADBNCOYAI-SECBINFHSA-N 0 1 275.352 3.661 20 0 CHADMN CCN(Cc1ccn(C(C)C)n1)[C@H](C)Cc1ccsc1 ZINC000187800665 261251172 /nfs/dbraw/zinc/25/11/72/261251172.db2.gz AGYXYKOWBNASNT-CQSZACIVSA-N 0 1 291.464 3.979 20 0 CHADMN CCCOc1ccc(CN[C@@H](C)c2cncc(F)c2)cc1 ZINC000161682628 261256539 /nfs/dbraw/zinc/25/65/39/261256539.db2.gz RZXYLXPDJBPQHR-ZDUSSCGKSA-N 0 1 288.366 3.860 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccccc2OC)ccc1C ZINC000161785915 261260114 /nfs/dbraw/zinc/26/01/14/261260114.db2.gz SCIOKQZZKMBMQY-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN COc1cc(CN[C@H](C)c2cnn(C(C)C)c2)ccc1C ZINC000161812566 261261095 /nfs/dbraw/zinc/26/10/95/261261095.db2.gz LENXXGAOHUWWOQ-CQSZACIVSA-N 0 1 287.407 3.632 20 0 CHADMN Cc1nccc(CN2CC[C@H](C)[C@H]2c2cccc(F)c2)n1 ZINC000368448623 261284456 /nfs/dbraw/zinc/28/44/56/261284456.db2.gz CNORMIKAUBNAFY-SJCJKPOMSA-N 0 1 285.366 3.507 20 0 CHADMN CC[C@@H](C)N(C)Cc1coc(-c2cccs2)n1 ZINC000104687708 261297811 /nfs/dbraw/zinc/29/78/11/261297811.db2.gz XPTIXFFRBGRCAI-SNVBAGLBSA-N 0 1 250.367 3.633 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1nc(C)c(C)o1)C1CC1 ZINC000104966892 261304399 /nfs/dbraw/zinc/30/43/99/261304399.db2.gz WLRHXLPLAHMHHH-ZYHUDNBSSA-N 0 1 250.386 3.690 20 0 CHADMN C[C@@H](N(C)CC(=O)Nc1cc(Cl)ccc1F)C1(C)CC1 ZINC000177228807 261340864 /nfs/dbraw/zinc/34/08/64/261340864.db2.gz YKQZYBAQAZFVHL-SNVBAGLBSA-N 0 1 298.789 3.538 20 0 CHADMN C[C@@H](NCc1ccc(Cl)s1)c1cncc(F)c1 ZINC000177862221 261371612 /nfs/dbraw/zinc/37/16/12/261371612.db2.gz PVWZOQBPUMKBLO-MRVPVSSYSA-N 0 1 270.760 3.786 20 0 CHADMN CCCCN(C)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000187820923 261379840 /nfs/dbraw/zinc/37/98/40/261379840.db2.gz LVPXTMFLGUZOOH-UHFFFAOYSA-N 0 1 285.391 3.566 20 0 CHADMN CCc1noc(CC)c1CN[C@H](C)c1cccc(OC)c1 ZINC000166956321 261395670 /nfs/dbraw/zinc/39/56/70/261395670.db2.gz AGPUOXNKOHARPL-GFCCVEGCSA-N 0 1 288.391 3.659 20 0 CHADMN COc1ccc(F)cc1CN[C@H](C)c1cccc(F)c1 ZINC000181755072 261434720 /nfs/dbraw/zinc/43/47/20/261434720.db2.gz CBIAKNQHUIEDSH-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN Fc1ccc([C@H](N[C@H]2CCC[C@H](F)C2)c2ncc[nH]2)cc1 ZINC000516650327 261638285 /nfs/dbraw/zinc/63/82/85/261638285.db2.gz KAYQAABINZLCDG-KKUMJFAQSA-N 0 1 291.345 3.509 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C=C3CCC3)[nH]c2c1 ZINC000176107692 261639101 /nfs/dbraw/zinc/63/91/01/261639101.db2.gz ZMRFDJDZFYWGQT-INIZCTEOSA-N 0 1 295.386 3.645 20 0 CHADMN CCN(c1ccc(NCc2cc[nH]c2)cc1)C(C)C ZINC000178800334 261760557 /nfs/dbraw/zinc/76/05/57/261760557.db2.gz BOKDXIJUEVNBTP-UHFFFAOYSA-N 0 1 257.381 3.862 20 0 CHADMN CC[C@@H](N[C@H](C)c1cn(C)nc1C)c1ccccc1F ZINC000180444316 261860687 /nfs/dbraw/zinc/86/06/87/261860687.db2.gz LOUNQHUCXZMELQ-BDJLRTHQSA-N 0 1 275.371 3.670 20 0 CHADMN C[C@H](CN(C)Cc1ccc(F)cc1F)c1nccs1 ZINC000183940538 262000140 /nfs/dbraw/zinc/00/01/40/262000140.db2.gz FKMZMSAYIDYSAD-SNVBAGLBSA-N 0 1 282.359 3.657 20 0 CHADMN CC(C)c1ccc(CN(C)[C@@H](C)c2cnccn2)cc1 ZINC000184430488 262020103 /nfs/dbraw/zinc/02/01/03/262020103.db2.gz LRIHGECXKHQXGQ-AWEZNQCLSA-N 0 1 269.392 3.793 20 0 CHADMN CCCC[C@H]1CCC[C@@H]1NCc1csc(NC(C)=O)n1 ZINC000184702185 262027216 /nfs/dbraw/zinc/02/72/16/262027216.db2.gz JXAYQGPTMPPBOR-JSGCOSHPSA-N 0 1 295.452 3.550 20 0 CHADMN CCC[N@@H+](CCCc1cccc2ccccc21)CC(=O)[O-] ZINC000184927760 262034357 /nfs/dbraw/zinc/03/43/57/262034357.db2.gz OEKZFKDCBAVIMT-UHFFFAOYSA-N 0 1 285.387 3.569 20 0 CHADMN CCC[C@@H](NCc1cccc(NC(C)=O)c1)c1cccnc1 ZINC000185020736 262038000 /nfs/dbraw/zinc/03/80/00/262038000.db2.gz HKAHNEYJRUYQJF-GOSISDBHSA-N 0 1 297.402 3.671 20 0 CHADMN CC(C)(NCc1cc(O)cc(F)c1)c1ccc(F)c(F)c1 ZINC000185567745 262060197 /nfs/dbraw/zinc/06/01/97/262060197.db2.gz UWRANFLYZNRHCM-UHFFFAOYSA-N 0 1 295.304 3.834 20 0 CHADMN CCC[C@@H](C)CN1CCc2c(ncn2-c2ccccc2)C1 ZINC000497179301 262060547 /nfs/dbraw/zinc/06/05/47/262060547.db2.gz KKYVTAGIUWIABG-OAHLLOKOSA-N 0 1 283.419 3.667 20 0 CHADMN CC(C)c1nc([C@@H](C)NCCc2ccccc2O)cs1 ZINC000186306998 262088144 /nfs/dbraw/zinc/08/81/44/262088144.db2.gz UILNMUVUCLQPFI-GFCCVEGCSA-N 0 1 290.432 3.865 20 0 CHADMN Cc1noc(C)c1CCN[C@@H](C)c1csc(C(C)C)n1 ZINC000186328996 262088483 /nfs/dbraw/zinc/08/84/83/262088483.db2.gz ZIKWXLHWCFDVQM-NSHDSACASA-N 0 1 293.436 3.765 20 0 CHADMN Cc1noc(C)c1CCN[C@H](C)c1csc(C(C)C)n1 ZINC000186329016 262088775 /nfs/dbraw/zinc/08/87/75/262088775.db2.gz ZIKWXLHWCFDVQM-LLVKDONJSA-N 0 1 293.436 3.765 20 0 CHADMN Cc1cccc([C@@H](C)N[C@H](CCO)c2ccco2)c1C ZINC000186510858 262096490 /nfs/dbraw/zinc/09/64/90/262096490.db2.gz SJPATQWNOKMBKS-GDBMZVCRSA-N 0 1 273.376 3.671 20 0 CHADMN CCC[C@H](N[C@@H](CCO)c1ccco1)c1ccccc1 ZINC000186522945 262096971 /nfs/dbraw/zinc/09/69/71/262096971.db2.gz UWMTVILEDUEXFK-HOTGVXAUSA-N 0 1 273.376 3.834 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](CCO)c1ccco1)[C@H](C)C2 ZINC000186543643 262097703 /nfs/dbraw/zinc/09/77/03/262097703.db2.gz DRCIMVIKUPCEQX-RPVQJOFSSA-N 0 1 285.387 3.535 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccc(C(C)(C)O)cc2)o1 ZINC000186603796 262101980 /nfs/dbraw/zinc/10/19/80/262101980.db2.gz XCOKZPWKZXVYEK-CYBMUJFWSA-N 0 1 287.403 3.920 20 0 CHADMN Cc1cccc(NC(=O)[C@@H](C)N2CCCC3(CC3)C2)c1C ZINC000186967571 262119148 /nfs/dbraw/zinc/11/91/48/262119148.db2.gz BQNQMBOBJNRUPG-OAHLLOKOSA-N 0 1 286.419 3.506 20 0 CHADMN C[C@H](c1nc(-c2ccccc2)no1)N1CCCC2(CC2)C1 ZINC000186978285 262119316 /nfs/dbraw/zinc/11/93/16/262119316.db2.gz BAZJBWYRIQIDFI-CYBMUJFWSA-N 0 1 283.375 3.674 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@H](C)N1CCCC2(CC2)C1 ZINC000186980814 262119615 /nfs/dbraw/zinc/11/96/15/262119615.db2.gz MBNCEVOKJCHAJM-HNNXBMFYSA-N 0 1 286.419 3.506 20 0 CHADMN CCOCCSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000187142632 262126128 /nfs/dbraw/zinc/12/61/28/262126128.db2.gz DOEWKBVWITXRKM-UHFFFAOYSA-N 0 1 262.378 3.514 20 0 CHADMN COc1cccc(CN(C)[C@@H](C)c2cc(C)ccc2C)n1 ZINC000497449000 262163834 /nfs/dbraw/zinc/16/38/34/262163834.db2.gz YDLNZRLDLXNFGV-HNNXBMFYSA-N 0 1 284.403 3.900 20 0 CHADMN C[C@@H](NCc1ccccn1)c1ccc(OC(F)F)cc1 ZINC000020091654 262228189 /nfs/dbraw/zinc/22/81/89/262228189.db2.gz HPAHAZAEMHHUAH-LLVKDONJSA-N 0 1 278.302 3.534 20 0 CHADMN Cc1nc2sccn2c1CN(C)Cc1cc(C)cc(C)c1 ZINC000514089973 262234420 /nfs/dbraw/zinc/23/44/20/262234420.db2.gz RYFILTYOBXZVCR-UHFFFAOYSA-N 0 1 299.443 3.953 20 0 CHADMN Oc1cc(F)cc(CN[C@@H]2CCCc3sccc32)c1 ZINC000184142339 262271525 /nfs/dbraw/zinc/27/15/25/262271525.db2.gz UYTNNEOJLRTPJB-CQSZACIVSA-N 0 1 277.364 3.760 20 0 CHADMN CCOC[C@H]1CCN(Cc2cccc(Cl)c2OCC)C1 ZINC000494957748 262273292 /nfs/dbraw/zinc/27/32/92/262273292.db2.gz OKMGLLCUQOYCDY-ZDUSSCGKSA-N 0 1 297.826 3.597 20 0 CHADMN COc1ccc2c(c1)CN([C@H](C)c1ccc(F)cc1)CC2 ZINC000521423375 262326141 /nfs/dbraw/zinc/32/61/41/262326141.db2.gz QVAUGLLNQFGRKO-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN C[C@H](C1CC1)N(Cc1ncc(C(C)(C)C)o1)C1CC1 ZINC000521427988 262331019 /nfs/dbraw/zinc/33/10/19/262331019.db2.gz KHICCOMVQAMWMO-LLVKDONJSA-N 0 1 262.397 3.735 20 0 CHADMN c1ccc(C(NCc2ccncc2)c2ccccc2)cc1 ZINC000055421187 262348748 /nfs/dbraw/zinc/34/87/48/262348748.db2.gz DTJKDSRQIMWXDO-UHFFFAOYSA-N 0 1 274.367 3.961 20 0 CHADMN c1cc2c(s1)CCC[C@H]2NCc1cccc2c1OCO2 ZINC000061328772 262393978 /nfs/dbraw/zinc/39/39/78/262393978.db2.gz GYWHHHFBAHLMGC-CYBMUJFWSA-N 0 1 287.384 3.644 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccsc2)c(OC)c1 ZINC000061360604 262394832 /nfs/dbraw/zinc/39/48/32/262394832.db2.gz CTWOICVIDAJDHL-NSHDSACASA-N 0 1 277.389 3.616 20 0 CHADMN CCN1CCCC[C@@H]1C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187347569 262399600 /nfs/dbraw/zinc/39/96/00/262399600.db2.gz PYMLRYHOIBRWDY-CQSZACIVSA-N 0 1 296.361 3.611 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2CCCC[C@H]2OC(F)F)cs1 ZINC000337561872 262459571 /nfs/dbraw/zinc/45/95/71/262459571.db2.gz VWFVNWWIXKQXIG-MKPLZMMCSA-N 0 1 290.379 3.653 20 0 CHADMN CCC[C@@H](O)CN[C@H](C)c1csc(-c2ccccc2)n1 ZINC000414109215 262806414 /nfs/dbraw/zinc/80/64/14/262806414.db2.gz GYHBQFYSRGAXSF-TZMCWYRMSA-N 0 1 290.432 3.622 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1cc(F)cc(F)c1 ZINC000414281585 262835087 /nfs/dbraw/zinc/83/50/87/262835087.db2.gz GILKZORDJOULOM-OWYVNGRQSA-N 0 1 257.299 3.896 20 0 CHADMN Fc1cncc([C@H](N[C@@H]2CCCC[C@H]2F)C2CC2)c1 ZINC000414314717 262842094 /nfs/dbraw/zinc/84/20/94/262842094.db2.gz QNZRJAFFWKJVOR-RBSFLKMASA-N 0 1 266.335 3.542 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N[C@@H](C)c1csnn1 ZINC000414304605 262848580 /nfs/dbraw/zinc/84/85/80/262848580.db2.gz OZHKYVQGQJSUMP-GXTWGEPZSA-N 0 1 275.421 3.518 20 0 CHADMN C[C@@H](O)C1CCN(Cc2c(Cl)oc3ccccc32)CC1 ZINC000271165769 262994217 /nfs/dbraw/zinc/99/42/17/262994217.db2.gz RTEJAOHBYKFABG-LLVKDONJSA-N 0 1 293.794 3.679 20 0 CHADMN Fc1cccc(Cl)c1CCCN1CCO[C@@H]2CCC[C@H]21 ZINC000437153255 263001510 /nfs/dbraw/zinc/00/15/10/263001510.db2.gz VTRVNCKPPVSYJH-HZPDHXFCSA-N 0 1 297.801 3.665 20 0 CHADMN CC[C@@H](CC(F)(F)F)c1nc([C@@H](N)CC(C)C)no1 ZINC000414610865 263009522 /nfs/dbraw/zinc/00/95/22/263009522.db2.gz BMSJKCKMNCAOIP-IUCAKERBSA-N 0 1 279.306 3.562 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2CCCc3sccc32)n1 ZINC000414614904 263010194 /nfs/dbraw/zinc/01/01/94/263010194.db2.gz HRYCCWXAZBLPKJ-NEPJUHHUSA-N 0 1 291.420 3.645 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H]2[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000414617801 263011297 /nfs/dbraw/zinc/01/12/97/263011297.db2.gz MDBBVDAGNHFWMO-CYUUQNCZSA-N 0 1 285.391 3.633 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cccc3ccsc32)n1 ZINC000414619292 263012807 /nfs/dbraw/zinc/01/28/07/263012807.db2.gz NUQZJMQSFMXYAZ-GFCCVEGCSA-N 0 1 287.388 3.997 20 0 CHADMN Cc1cc(C)cc(/C=C/c2nc([C@@H](N)CC(C)C)no2)c1 ZINC000414624787 263014789 /nfs/dbraw/zinc/01/47/89/263014789.db2.gz VZGKWVVKRLFGPS-NFAHFFEMSA-N 0 1 285.391 3.903 20 0 CHADMN CC(C)C[C@H](N)c1noc(Cc2cccc(C3CC3)c2)n1 ZINC000414627073 263016408 /nfs/dbraw/zinc/01/64/08/263016408.db2.gz RBCAUJQUTWHITG-HNNXBMFYSA-N 0 1 285.391 3.584 20 0 CHADMN Cc1ccc(C[C@@H](C)c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000414627555 263016624 /nfs/dbraw/zinc/01/66/24/263016624.db2.gz ZHJFNLVYABWNJH-HIFRSBDPSA-N 0 1 287.407 3.770 20 0 CHADMN Cc1ccc(C[C@H](C)c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000414627561 263016774 /nfs/dbraw/zinc/01/67/74/263016774.db2.gz ZHJFNLVYABWNJH-ZFWWWQNUSA-N 0 1 287.407 3.770 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H]2CCCC(C)(C)C2)n1 ZINC000414627640 263016834 /nfs/dbraw/zinc/01/68/34/263016834.db2.gz ZLBSQROSQWNADH-VXGBXAGGSA-N 0 1 265.401 3.799 20 0 CHADMN CC(C)(C)C[C@H]1CCN(Cc2ncc(C3CC3)o2)C1 ZINC000452084409 263035149 /nfs/dbraw/zinc/03/51/49/263035149.db2.gz VBJAHLLQPOVOJU-GFCCVEGCSA-N 0 1 262.397 3.810 20 0 CHADMN CC1(CN(Cc2ccco2)Cc2cccnc2)CCC1 ZINC000283846378 263084533 /nfs/dbraw/zinc/08/45/33/263084533.db2.gz HKQURJWTXAEHPP-UHFFFAOYSA-N 0 1 270.376 3.867 20 0 CHADMN CSCc1ccc(CN[C@@H](C)c2ccc(F)cn2)cc1 ZINC000285497143 263093567 /nfs/dbraw/zinc/09/35/67/263093567.db2.gz AALWQDZULBMLPS-LBPRGKRZSA-N 0 1 290.407 3.935 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnc([C@@H](C)O)s2)c(C)s1 ZINC000289308445 263108739 /nfs/dbraw/zinc/10/87/39/263108739.db2.gz RTRWCNXKSQTWIB-NXEZZACHSA-N 0 1 296.461 3.726 20 0 CHADMN c1ccc2c(c1)C=C(CN(Cc1cccnc1)C1CC1)CO2 ZINC000290609618 263117867 /nfs/dbraw/zinc/11/78/67/263117867.db2.gz WKPBADQWWSSEIH-UHFFFAOYSA-N 0 1 292.382 3.522 20 0 CHADMN C[C@@H]1C[C@@H]1[C@@H](NCc1cc[nH]n1)c1ccc(Cl)cc1 ZINC000295067585 263171798 /nfs/dbraw/zinc/17/17/98/263171798.db2.gz WAHLUGDJNAKENV-ONERCXAPSA-N 0 1 275.783 3.550 20 0 CHADMN COc1cc(C)nc(CN[C@H]2CCCc3ccccc32)c1 ZINC000213660311 263205595 /nfs/dbraw/zinc/20/55/95/263205595.db2.gz VBTJHQDYYQEGEL-SFHVURJKSA-N 0 1 282.387 3.566 20 0 CHADMN C[C@@H](N[C@H](C)c1cnccn1)c1ccc(C2CC2)cc1 ZINC000417351866 263798312 /nfs/dbraw/zinc/79/83/12/263798312.db2.gz DQGAYAJRZXELBS-CHWSQXEVSA-N 0 1 267.376 3.766 20 0 CHADMN CC(C)n1cncc1CN1CCc2ccccc2[C@@H]1C ZINC000425336027 264011651 /nfs/dbraw/zinc/01/16/51/264011651.db2.gz KEVHBHCSVLXMJI-AWEZNQCLSA-N 0 1 269.392 3.583 20 0 CHADMN Cc1cc(C)c2c(c1)CN(Cc1cncn1C(C)C)CC2 ZINC000425335051 264012032 /nfs/dbraw/zinc/01/20/32/264012032.db2.gz HJTGIGXIYJBNAK-UHFFFAOYSA-N 0 1 283.419 3.639 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cccc(C)n2)c1 ZINC000353749775 264032114 /nfs/dbraw/zinc/03/21/14/264032114.db2.gz UAWDVPBIBIXTHE-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN CC(C)c1cnc(CN2CCCC[C@H]2CC(N)=O)s1 ZINC000330804534 264042635 /nfs/dbraw/zinc/04/26/35/264042635.db2.gz IDRBANXQDRPOPL-NSHDSACASA-N 0 1 281.425 3.546 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@H]2CCCC(C)(C)C2)c1 ZINC000331228519 264151464 /nfs/dbraw/zinc/15/14/64/264151464.db2.gz FPNTZFRDQHPINH-ZDUSSCGKSA-N 0 1 289.375 3.750 20 0 CHADMN CCO[C@@H]1CCN(Cc2c(F)cc(C)cc2F)C[C@@H]1C ZINC000425375123 264203684 /nfs/dbraw/zinc/20/36/84/264203684.db2.gz YQGSOSSFXIYOBM-BLLLJJGKSA-N 0 1 283.362 3.520 20 0 CHADMN COc1cc2ccccc2cc1CN1CC(CC(F)F)C1 ZINC000425364958 264211561 /nfs/dbraw/zinc/21/15/61/264211561.db2.gz HZHAOAUYJLFRAT-UHFFFAOYSA-N 0 1 291.341 3.935 20 0 CHADMN FC(F)CC1CN(Cc2cccc(OC(F)(F)F)c2)C1 ZINC000425369267 264213629 /nfs/dbraw/zinc/21/36/29/264213629.db2.gz ZUWONMDTGVXJNY-UHFFFAOYSA-N 0 1 295.251 3.672 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccncc1OC)c1cccs1 ZINC000188764185 264241352 /nfs/dbraw/zinc/24/13/52/264241352.db2.gz LVDXQHFFHIMJQU-DGCLKSJQSA-N 0 1 276.405 3.954 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H](C)c1ccc2c(c1)CCC2 ZINC000188768797 264241470 /nfs/dbraw/zinc/24/14/70/264241470.db2.gz GHLBXIOTAOSCHY-KBPBESRZSA-N 0 1 296.414 3.991 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)C[C@H](O)CC(F)(F)F ZINC000188804981 264251053 /nfs/dbraw/zinc/25/10/53/264251053.db2.gz QFERPDYKAJSROC-NXEZZACHSA-N 0 1 295.732 3.646 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nc(-c2ccccc2F)no1 ZINC000188949124 264259880 /nfs/dbraw/zinc/25/98/80/264259880.db2.gz MOPMHUPRAGNZOJ-GFCCVEGCSA-N 0 1 289.354 3.640 20 0 CHADMN Cc1cc(NCc2ncccc2F)c2cc(F)ccc2n1 ZINC000127616797 264263125 /nfs/dbraw/zinc/26/31/25/264263125.db2.gz LFWZXOQIFXCJJP-UHFFFAOYSA-N 0 1 285.297 3.829 20 0 CHADMN Fc1cccc(F)c1CN(C[C@@H]1CCSC1)C1CC1 ZINC000425983674 264264207 /nfs/dbraw/zinc/26/42/07/264264207.db2.gz DGVOFTDJVLAUQB-NSHDSACASA-N 0 1 283.387 3.682 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC([C@@H]2CCCO2)CC1 ZINC000189191348 264277972 /nfs/dbraw/zinc/27/79/72/264277972.db2.gz UFINZFJQGRMNPY-SJCJKPOMSA-N 0 1 295.373 3.917 20 0 CHADMN Cc1oncc1CN[C@H](C)c1ccc(Br)cc1 ZINC000189329049 264289626 /nfs/dbraw/zinc/28/96/26/264289626.db2.gz FQFXALKKNIMBQC-SECBINFHSA-N 0 1 295.180 3.596 20 0 CHADMN Fc1ccc(NCc2cnc(-c3ccccc3)[nH]2)c(F)c1 ZINC000189420198 264297524 /nfs/dbraw/zinc/29/75/24/264297524.db2.gz JUJFCQBCCSUKDH-UHFFFAOYSA-N 0 1 285.297 3.967 20 0 CHADMN COc1cnccc1[C@H](C)NCc1ccc(Cl)c(C)c1 ZINC000189558621 264307382 /nfs/dbraw/zinc/30/73/82/264307382.db2.gz VKSZXLMHJWARRA-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](C)c2cc3ccc(C)cc3o2)n[nH]1 ZINC000426015113 264309474 /nfs/dbraw/zinc/30/94/74/264309474.db2.gz FJNHLKKJYPTXPW-VXGBXAGGSA-N 0 1 298.390 3.834 20 0 CHADMN C[C@@H](NCCC1CCCC1)c1nc(C(C)(C)C)no1 ZINC000192683742 264586788 /nfs/dbraw/zinc/58/67/88/264586788.db2.gz PKVBTMCXSMFFOS-LLVKDONJSA-N 0 1 265.401 3.598 20 0 CHADMN CCOc1ccc([C@H](C)NCc2oc(CC)nc2C)cc1 ZINC000291915052 264848415 /nfs/dbraw/zinc/84/84/15/264848415.db2.gz NGWKXCIXCQBGRI-LBPRGKRZSA-N 0 1 288.391 3.795 20 0 CHADMN C[C@@H](CCc1ccco1)[NH2+]Cc1cccc([O-])c1Cl ZINC000294074749 265005746 /nfs/dbraw/zinc/00/57/46/265005746.db2.gz KVZPEOCUZQJIQA-NSHDSACASA-N 0 1 279.767 3.750 20 0 CHADMN CCCCN[C@H](C)c1nc(C2CCCCC2)no1 ZINC000185218884 265014961 /nfs/dbraw/zinc/01/49/61/265014961.db2.gz JCSHEZMIGXWVAG-LLVKDONJSA-N 0 1 251.374 3.568 20 0 CHADMN CC(C)c1nc([C@@H](C)NCC2([C@@H](O)C(C)C)CC2)cs1 ZINC000346536780 265112531 /nfs/dbraw/zinc/11/25/31/265112531.db2.gz RELCTCGCKAXNNV-OCCSQVGLSA-N 0 1 296.480 3.714 20 0 CHADMN Fc1ccc(F)c(CN2CCC[C@@H](c3ccncc3)C2)c1 ZINC000347716208 265133919 /nfs/dbraw/zinc/13/39/19/265133919.db2.gz HVJCJBSIAKWLDF-CQSZACIVSA-N 0 1 288.341 3.739 20 0 CHADMN C[C@H](NCc1ccc(F)cc1)c1cc(F)cc(F)c1 ZINC000094826061 265258154 /nfs/dbraw/zinc/25/81/54/265258154.db2.gz FMXQJLYUHSWWFT-JTQLQIEISA-N 0 1 265.278 3.955 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000519167253 265342999 /nfs/dbraw/zinc/34/29/99/265342999.db2.gz MNHRECXDAPZLIQ-INIZCTEOSA-N 0 1 279.380 3.688 20 0 CHADMN CC1(C2CC2)CCN(CC(=O)c2c[nH]c3ccccc23)CC1 ZINC000519371453 265403565 /nfs/dbraw/zinc/40/35/65/265403565.db2.gz OLNIEUQTNZULLV-UHFFFAOYSA-N 0 1 296.414 3.863 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3c2cccc3F)nc1C ZINC000314740815 266001730 /nfs/dbraw/zinc/00/17/30/266001730.db2.gz HMGTURFMWUSUNW-QGZVFWFLSA-N 0 1 270.351 3.615 20 0 CHADMN COc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)cc1F ZINC000356288673 266088962 /nfs/dbraw/zinc/08/89/62/266088962.db2.gz WJEQIYNADRSWQB-INIZCTEOSA-N 0 1 275.367 3.599 20 0 CHADMN CC(C)(C)C1CCC(CN2CCn3cncc3C2)CC1 ZINC000356299094 266091921 /nfs/dbraw/zinc/09/19/21/266091921.db2.gz QRNHYGSJDPTORC-UHFFFAOYSA-N 0 1 275.440 3.551 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cc2[nH]ccc2s1 ZINC000356564415 266138701 /nfs/dbraw/zinc/13/87/01/266138701.db2.gz JOWZWJIKOIGQFH-UHFFFAOYSA-N 0 1 292.747 3.841 20 0 CHADMN Cc1nc(-c2ccc(CN[C@H](C)c3cccnc3)o2)cs1 ZINC000356681411 266157933 /nfs/dbraw/zinc/15/79/33/266157933.db2.gz PPWJHQFGYQMESY-LLVKDONJSA-N 0 1 299.399 3.957 20 0 CHADMN Cc1nc(-c2ccc(CN[C@@H](C)c3cccnc3)o2)cs1 ZINC000356681413 266158467 /nfs/dbraw/zinc/15/84/67/266158467.db2.gz PPWJHQFGYQMESY-NSHDSACASA-N 0 1 299.399 3.957 20 0 CHADMN C[C@@H]1C[C@@H](CNc2ccnc3cc(F)ccc32)CCO1 ZINC000356801779 266177403 /nfs/dbraw/zinc/17/74/03/266177403.db2.gz XBLQKRMHLQKGAK-NEPJUHHUSA-N 0 1 274.339 3.601 20 0 CHADMN CC(C)OC[C@@H](C)N[C@@H](c1ccccc1)c1ccccn1 ZINC000367245384 266184900 /nfs/dbraw/zinc/18/49/00/266184900.db2.gz WZOAINLLPBHDTC-QAPCUYQASA-N 0 1 284.403 3.574 20 0 CHADMN CCC1(CC)CCC(NC(=O)c2[nH]nc(C)c2C)CC1 ZINC000356891730 266206559 /nfs/dbraw/zinc/20/65/59/266206559.db2.gz DVQVRMCQJHDJCS-UHFFFAOYSA-N 0 1 277.412 3.505 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccc2c(c1)COC2 ZINC000356897833 266208443 /nfs/dbraw/zinc/20/84/43/266208443.db2.gz MMXRAXNYOUWNHO-ZDUSSCGKSA-N 0 1 282.387 3.525 20 0 CHADMN Cc1cc(-c2noc(-c3cccs3)n2)cc2nc[nH]c21 ZINC000356938723 266214261 /nfs/dbraw/zinc/21/42/61/266214261.db2.gz UVLBFLHBFWIOMB-UHFFFAOYSA-N 0 1 282.328 3.650 20 0 CHADMN COc1ccc(-c2csc(C(C)C)n2)c2c1C(=O)CO2 ZINC000356957658 266218898 /nfs/dbraw/zinc/21/88/98/266218898.db2.gz BDIKZXRZSFGEND-UHFFFAOYSA-N 0 1 289.356 3.517 20 0 CHADMN c1nc(CNc2ccc3c(c2)nc2n3CCCCC2)cs1 ZINC000357092485 266246307 /nfs/dbraw/zinc/24/63/07/266246307.db2.gz YUXDAMWEINZHFA-UHFFFAOYSA-N 0 1 298.415 3.831 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1csc(C2CC2)n1 ZINC000357556334 266322933 /nfs/dbraw/zinc/32/29/33/266322933.db2.gz VTFAOCRYFIOZTF-GXFFZTMASA-N 0 1 250.411 3.783 20 0 CHADMN C[C@H]1CCCC[C@H]1OCCN(Cc1ccccn1)C1CC1 ZINC000357617195 266336882 /nfs/dbraw/zinc/33/68/82/266336882.db2.gz LIOSPAPEHPPEMW-MAUKXSAKSA-N 0 1 288.435 3.641 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000357776558 266359555 /nfs/dbraw/zinc/35/95/55/266359555.db2.gz DKLXREFEVIEJAS-SNRMKQJTSA-N 0 1 296.414 3.961 20 0 CHADMN C[C@H](NC[C@@H]1SCCc2ccccc21)c1nccs1 ZINC000357803013 266367139 /nfs/dbraw/zinc/36/71/39/266367139.db2.gz ZOCRPCKBROVYLD-FZMZJTMJSA-N 0 1 290.457 3.824 20 0 CHADMN CSc1cc(CN[C@@H](C)c2ccsc2)ccn1 ZINC000357842782 266375592 /nfs/dbraw/zinc/37/55/92/266375592.db2.gz VYXWDSBBQXMPNH-JTQLQIEISA-N 0 1 264.419 3.716 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccc(Cl)s2)c(C)n1 ZINC000358021244 266398476 /nfs/dbraw/zinc/39/84/76/266398476.db2.gz UUUUCHWDHWGATB-QMMMGPOBSA-N 0 1 281.812 3.659 20 0 CHADMN Cc1nc([C@H](C)NCCOc2c(C)cccc2C)cs1 ZINC000358020943 266398543 /nfs/dbraw/zinc/39/85/43/266398543.db2.gz NAZWJIBPVJOZRZ-ZDUSSCGKSA-N 0 1 290.432 3.798 20 0 CHADMN C[C@@H]1c2ccccc2CN1[C@@H]1CCc2ccccc2NC1=O ZINC000361748638 266878750 /nfs/dbraw/zinc/87/87/50/266878750.db2.gz RLTKFWMPIOHSMC-FZKQIMNGSA-N 0 1 292.382 3.517 20 0 CHADMN C[C@@]1(c2ccccc2)CCN(Cc2ncc(C3CC3)o2)C1 ZINC000362450348 266988258 /nfs/dbraw/zinc/98/82/58/266988258.db2.gz FDOZNZXIQNBOEG-GOSISDBHSA-N 0 1 282.387 3.716 20 0 CHADMN COCc1ccc(CN2CCc3c(C)cc(C)cc3C2)o1 ZINC000362529038 267001192 /nfs/dbraw/zinc/00/11/92/267001192.db2.gz PPPYVUKNMGFIPM-UHFFFAOYSA-N 0 1 285.387 3.601 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC(CC)(CC)CC2)o1 ZINC000362603722 267019833 /nfs/dbraw/zinc/01/98/33/267019833.db2.gz OENCMAVNACGVNK-GFCCVEGCSA-N 0 1 265.401 3.595 20 0 CHADMN COCCSCCC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000362962884 267068149 /nfs/dbraw/zinc/06/81/49/267068149.db2.gz GTNGRQAVDARWHW-UHFFFAOYSA-N 0 1 293.885 3.603 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCC=Cc2ccccc2)n[nH]1 ZINC000362996353 267071523 /nfs/dbraw/zinc/07/15/23/267071523.db2.gz JIZMKICFRRCXAP-ZPJOPHOWSA-N 0 1 284.407 3.682 20 0 CHADMN c1c[nH]c([C@H](NCCOC2CCCC2)C2CCCCC2)n1 ZINC000367743006 267114305 /nfs/dbraw/zinc/11/43/05/267114305.db2.gz YFZNEJHNOZKQRQ-MRXNPFEDSA-N 0 1 291.439 3.580 20 0 CHADMN Cc1cc([C@H](C)NC[C@@H]2CCCN(c3ccccc3)C2)no1 ZINC000368060015 267143760 /nfs/dbraw/zinc/14/37/60/267143760.db2.gz ZKZRKOOAHCAMTM-HOTGVXAUSA-N 0 1 299.418 3.550 20 0 CHADMN CC(C)n1ncc2c1[C@H](N[C@H](C)c1ccncc1)CCC2 ZINC000368135979 267147271 /nfs/dbraw/zinc/14/72/71/267147271.db2.gz SKXUTGRJPFTBCM-CZUORRHYSA-N 0 1 284.407 3.587 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2ccc(C)c(F)c2)c(C)n1 ZINC000168510064 267301565 /nfs/dbraw/zinc/30/15/65/267301565.db2.gz SDIQGWJUNRACKV-NEPJUHHUSA-N 0 1 287.382 3.953 20 0 CHADMN CO[C@@H]1CCC[C@H]1N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000370316214 267308572 /nfs/dbraw/zinc/30/85/72/267308572.db2.gz RPPFSMWLEVXMNS-BPLDGKMQSA-N 0 1 286.375 3.560 20 0 CHADMN CCn1nccc1CN1CCC[C@H]1c1ccc(C)s1 ZINC000119256666 267313458 /nfs/dbraw/zinc/31/34/58/267313458.db2.gz LSOOUTZHFURINW-AWEZNQCLSA-N 0 1 275.421 3.610 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CC[C@](C)(c2ccccc2)C1 ZINC000370395684 267317097 /nfs/dbraw/zinc/31/70/97/267317097.db2.gz NLNPHWFSWQHERJ-UGSOOPFHSA-N 0 1 297.402 3.672 20 0 CHADMN C[C@H](N[C@@H](C)C1CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000370597921 267330295 /nfs/dbraw/zinc/33/02/95/267330295.db2.gz HEUPXSFZEQSCHF-UWVGGRQHSA-N 0 1 291.782 3.839 20 0 CHADMN COc1cccc([C@H]2CCCN2Cc2ccc(C)cn2)c1 ZINC000119559875 267344949 /nfs/dbraw/zinc/34/49/49/267344949.db2.gz LZMGLIWSJQCQFY-GOSISDBHSA-N 0 1 282.387 3.736 20 0 CHADMN c1cc([C@@H]2CCCN2Cc2cnn3ccccc23)cs1 ZINC000371396270 267399609 /nfs/dbraw/zinc/39/96/09/267399609.db2.gz ORUIHOFTBNHZAX-HNNXBMFYSA-N 0 1 283.400 3.733 20 0 CHADMN Clc1ccc(CN2CCC3(CCCC3)C2)nc1 ZINC000371545089 267426062 /nfs/dbraw/zinc/42/60/62/267426062.db2.gz TYTKSSDMWFULDM-UHFFFAOYSA-N 0 1 250.773 3.501 20 0 CHADMN Clc1ccsc1CN1CCC([C@@H]2CCOC2)CC1 ZINC000373324076 267664735 /nfs/dbraw/zinc/66/47/35/267664735.db2.gz ZRBWWOAEWMZTJY-GFCCVEGCSA-N 0 1 285.840 3.650 20 0 CHADMN CC(C)CC[C@H]1CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000122709997 267919758 /nfs/dbraw/zinc/91/97/58/267919758.db2.gz MVLFAXIHIQVPOR-CQSZACIVSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1ccncc1CN[C@H](C)c1ccc(Cl)s1 ZINC000123227913 268017237 /nfs/dbraw/zinc/01/72/37/268017237.db2.gz HVPQXCHAWLCYNP-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Fc1cccc(Cl)c1CN[C@@H]1CC12CCCC2 ZINC000395627127 328750755 /nfs/dbraw/zinc/75/07/55/328750755.db2.gz AFCPYJUDUIXIDS-CYBMUJFWSA-N 0 1 253.748 3.901 20 0 CHADMN FCC1(NCc2ccc(C(F)(F)F)s2)CCC1 ZINC000580073582 327691174 /nfs/dbraw/zinc/69/11/74/327691174.db2.gz NCGPZKVFFHXLEY-UHFFFAOYSA-N 0 1 267.291 3.749 20 0 CHADMN F[C@H]1CCC[C@H]1NCc1cnc(-c2cccs2)s1 ZINC000580170374 327719029 /nfs/dbraw/zinc/71/90/29/327719029.db2.gz LWBDFKOSKGQNIY-WDEREUQCSA-N 0 1 282.409 3.852 20 0 CHADMN Cc1ncncc1[C@H](C)NCc1ccc2sccc2c1 ZINC000580216295 327736494 /nfs/dbraw/zinc/73/64/94/327736494.db2.gz UFNGSDSSHVRKSR-NSHDSACASA-N 0 1 283.400 3.851 20 0 CHADMN CCC[C@H](NCc1cccc(OC)n1)c1ccccc1 ZINC000178753549 327737633 /nfs/dbraw/zinc/73/76/33/327737633.db2.gz OJSZWCCAZNIEKL-INIZCTEOSA-N 0 1 270.376 3.721 20 0 CHADMN CO[C@H](CN[C@H](C)c1c(F)cccc1Cl)C1CC1 ZINC000378804854 327758607 /nfs/dbraw/zinc/75/86/07/327758607.db2.gz VZOPRAHEWSLSTM-NOZJJQNGSA-N 0 1 271.763 3.555 20 0 CHADMN COc1ccc(OC)c([C@@H](C)NCc2cc(C)cs2)c1 ZINC000379029197 327780193 /nfs/dbraw/zinc/78/01/93/327780193.db2.gz CMODKJUVZKSPIR-GFCCVEGCSA-N 0 1 291.416 3.925 20 0 CHADMN COc1cc2c(cc1F)CC[C@H]2N[C@@H](C)c1ccoc1 ZINC000582134134 327808185 /nfs/dbraw/zinc/80/81/85/327808185.db2.gz GVRVYWZBISGFPS-ZUZCIYMTSA-N 0 1 275.323 3.765 20 0 CHADMN Cc1cncc([C@H](C)N[C@@H]2CCOc3ccc(F)cc32)c1 ZINC000184402524 327827936 /nfs/dbraw/zinc/82/79/36/327827936.db2.gz YPMCVUORSKZOQP-BLLLJJGKSA-N 0 1 286.350 3.704 20 0 CHADMN CS[C@@H](CNCc1ncc(Cl)s1)C(C)(C)C ZINC000309864268 327836365 /nfs/dbraw/zinc/83/63/65/327836365.db2.gz NSXZAKYBIDQCEK-QMMMGPOBSA-N 0 1 278.874 3.664 20 0 CHADMN C/C(Cl)=C/CN[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000528453330 327870801 /nfs/dbraw/zinc/87/08/01/327870801.db2.gz XXIPWFUQJCMJKL-ZJRUKIMVSA-N 0 1 269.820 3.740 20 0 CHADMN COc1ccc(CN[C@H](C)c2cccc(C)c2)c(F)c1 ZINC000228599914 327896941 /nfs/dbraw/zinc/89/69/41/327896941.db2.gz DPYZANVAGXUINX-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H](C)c1ccccc1 ZINC000187078095 327943196 /nfs/dbraw/zinc/94/31/96/327943196.db2.gz TWKMMLWBTVBGIK-QWHCGFSZSA-N 0 1 256.349 3.502 20 0 CHADMN Fc1ccc(CNCc2cc(Cl)cs2)cc1F ZINC000093094930 327993104 /nfs/dbraw/zinc/99/31/04/327993104.db2.gz DXKXVVZILLTKDW-UHFFFAOYSA-N 0 1 273.735 3.970 20 0 CHADMN CC(C)CN(Cc1cccnc1)Cc1ccccc1F ZINC000339291124 328004578 /nfs/dbraw/zinc/00/45/78/328004578.db2.gz RXOOMILCJDPYMN-UHFFFAOYSA-N 0 1 272.367 3.879 20 0 CHADMN O=C([O-])c1ccccc1C[N@@H+](CC1CCCCC1)C1CC1 ZINC000563277042 328006889 /nfs/dbraw/zinc/00/68/89/328006889.db2.gz BLGFKLAKOALZEM-UHFFFAOYSA-N 0 1 287.403 3.930 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H]2c2cccs2)oc1C(=O)[O-] ZINC000563279736 328007246 /nfs/dbraw/zinc/00/72/46/328007246.db2.gz WMKYFMGZPMPGDY-GFCCVEGCSA-N 0 1 291.372 3.685 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000563284159 328008478 /nfs/dbraw/zinc/00/84/78/328008478.db2.gz RRORAPQZQQDJSK-ZIAGYGMSSA-N 0 1 299.370 3.664 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@@](C)(C(=O)[O-])C2)cc1 ZINC000563288189 328009107 /nfs/dbraw/zinc/00/91/07/328009107.db2.gz DELLJABYIWSPJZ-GLJUWKHASA-N 0 1 289.419 3.914 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H](c2ccccc2)C(C)C)n1 ZINC000339390194 328009165 /nfs/dbraw/zinc/00/91/65/328009165.db2.gz JHVPWRXKMZBUMB-CABCVRRESA-N 0 1 287.407 3.903 20 0 CHADMN Cc1ccc(C)c([C@H]2CCCN2Cc2nccc(C)n2)c1 ZINC000339662093 328012614 /nfs/dbraw/zinc/01/26/14/328012614.db2.gz GLTZASXOBJFPSR-QGZVFWFLSA-N 0 1 281.403 3.739 20 0 CHADMN CO[C@H](C)c1nc(CN[C@@H](C)Cc2ccsc2)cs1 ZINC000531725887 328023846 /nfs/dbraw/zinc/02/38/46/328023846.db2.gz DUPXXFRKZGZPKL-WDEREUQCSA-N 0 1 296.461 3.633 20 0 CHADMN C[C@H]1CC[C@]2(CCN(Cc3ncc(C(C)(C)C)o3)C2)C1 ZINC000541019230 328040585 /nfs/dbraw/zinc/04/05/85/328040585.db2.gz CUAOLEKJMHEBSV-GUYCJALGSA-N 0 1 276.424 3.984 20 0 CHADMN CC[N@@H+](Cc1ccc2nc[nH]c2c1)Cc1cccc(F)c1 ZINC000534332985 328045190 /nfs/dbraw/zinc/04/51/90/328045190.db2.gz HHHSRHNRDVNJTD-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN CC[N@@H+](Cc1cc(C)ccc1F)C1CCC(C(=O)[O-])CC1 ZINC000563453134 328067319 /nfs/dbraw/zinc/06/73/19/328067319.db2.gz GIPTWAPMKIMXRT-UHFFFAOYSA-N 0 1 293.382 3.599 20 0 CHADMN CCCCC[N@@H+](CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000563454572 328067574 /nfs/dbraw/zinc/06/75/74/328067574.db2.gz FYNSNXKYZJQWJJ-HNNXBMFYSA-N 0 1 263.381 3.715 20 0 CHADMN CC(C)CCCNCc1c(F)cc(F)c(F)c1F ZINC000563459488 328068065 /nfs/dbraw/zinc/06/80/65/328068065.db2.gz QMMKTFPHBLETQM-UHFFFAOYSA-N 0 1 263.278 3.769 20 0 CHADMN CN(Cc1ccccc1OC1CCCC1)[C@H]1CCCOC1 ZINC000567148348 328075153 /nfs/dbraw/zinc/07/51/53/328075153.db2.gz NFMPNIHZTUXHKL-INIZCTEOSA-N 0 1 289.419 3.619 20 0 CHADMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(-c2c[nH]c3ccccc23)no1 ZINC000571129751 328087410 /nfs/dbraw/zinc/08/74/10/328087410.db2.gz YWOSMBRTGYLZIE-TXEJJXNPSA-N 0 1 296.374 3.591 20 0 CHADMN COCCCCCN1CCc2sc(Cl)cc2C1 ZINC000571162155 328089318 /nfs/dbraw/zinc/08/93/18/328089318.db2.gz IIJIRRFPTMIHHY-UHFFFAOYSA-N 0 1 273.829 3.576 20 0 CHADMN CCCCC[N@@H+](Cc1nc(C(=O)[O-])co1)[C@H](C)CCC ZINC000571217304 328092792 /nfs/dbraw/zinc/09/27/92/328092792.db2.gz FPOKTBNJNYFRRZ-GFCCVEGCSA-N 0 1 282.384 3.554 20 0 CHADMN CC(C)n1ncnc1CN1CC[C@H](CC(C)(C)C)C1(C)C ZINC000412040526 328102145 /nfs/dbraw/zinc/10/21/45/328102145.db2.gz RLBFAGASELRBEJ-CQSZACIVSA-N 0 1 292.471 3.896 20 0 CHADMN Cc1nc(CN[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)c(C)s1 ZINC000412088078 328103332 /nfs/dbraw/zinc/10/33/32/328103332.db2.gz XIPRZIDISQQTMU-KGLIPLIRSA-N 0 1 296.480 3.832 20 0 CHADMN CC(C)(CC(F)F)C(=O)Nc1cccc(Cl)c1O ZINC000412112351 328103890 /nfs/dbraw/zinc/10/38/90/328103890.db2.gz VFAGSNKSUVDOGJ-UHFFFAOYSA-N 0 1 277.698 3.666 20 0 CHADMN Clc1cc2c(s1)CCN(C[C@@H]1CCSC1)C2 ZINC000571326346 328107683 /nfs/dbraw/zinc/10/76/83/328107683.db2.gz MBPHFSSDXHIGCC-VIFPVBQESA-N 0 1 273.854 3.513 20 0 CHADMN CCN(Cc1ncccc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000528503156 328107826 /nfs/dbraw/zinc/10/78/26/328107826.db2.gz IGLKRCIYFXVECK-LBPRGKRZSA-N 0 1 282.815 3.515 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000571335785 328111029 /nfs/dbraw/zinc/11/10/29/328111029.db2.gz FRKFXMNIAVNUHO-HNNXBMFYSA-N 0 1 299.370 3.575 20 0 CHADMN CC[C@@H](NCCSc1ccc(C)cc1)c1ccn(C)n1 ZINC000541743878 328116506 /nfs/dbraw/zinc/11/65/06/328116506.db2.gz SWADARJOVNVTJO-OAHLLOKOSA-N 0 1 289.448 3.562 20 0 CHADMN C[C@@H]1CCC[C@@H](C)C1NCc1noc(Cc2ccccc2)n1 ZINC000571455379 328123106 /nfs/dbraw/zinc/12/31/06/328123106.db2.gz KXPVMAVIMFLOKK-ZIAGYGMSSA-N 0 1 299.418 3.575 20 0 CHADMN Cc1cnc([C@H](C)NC/C=C\c2ccccc2)s1 ZINC000336704226 328130757 /nfs/dbraw/zinc/13/07/57/328130757.db2.gz NWYHVZFXSXHZAL-XURPKSDJSA-N 0 1 258.390 3.816 20 0 CHADMN CCn1ccnc1NCc1cc2cc(C)c(C)cc2o1 ZINC000414306984 328154375 /nfs/dbraw/zinc/15/43/75/328154375.db2.gz ULGDBLVQIZJHMY-UHFFFAOYSA-N 0 1 269.348 3.878 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1nc2c(s1)CCCC2 ZINC000414351673 328155896 /nfs/dbraw/zinc/15/58/96/328155896.db2.gz RYVKZSDKMWLXAR-DMDPSCGWSA-N 0 1 288.416 3.822 20 0 CHADMN CCN(Cc1ccoc1C)Cc1ccc(OC)c(OC)c1 ZINC000414367794 328155975 /nfs/dbraw/zinc/15/59/75/328155975.db2.gz FPIJSMZMSFATIT-UHFFFAOYSA-N 0 1 289.375 3.627 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2ccc(C)nn2)c(C)c1 ZINC000414368544 328156091 /nfs/dbraw/zinc/15/60/91/328156091.db2.gz HAYZHPCUZMLMTD-HNNXBMFYSA-N 0 1 269.392 3.595 20 0 CHADMN Cc1ccc2cc(CN3CCO[C@H](C4CCC4)C3)ccc2n1 ZINC000414470896 328184361 /nfs/dbraw/zinc/18/43/61/328184361.db2.gz JZFZJJIPMBIMLU-IBGZPJMESA-N 0 1 296.414 3.544 20 0 CHADMN Cc1c(CN2CCC[C@H]2c2ccccc2Cl)cnn1C ZINC000268936943 328187150 /nfs/dbraw/zinc/18/71/50/328187150.db2.gz SACOIXPLSJVSGU-INIZCTEOSA-N 0 1 289.810 3.719 20 0 CHADMN CCC[C@@H]1CCC[C@@H]1c1nc([C@H](N)CC(C)C)no1 ZINC000414617017 328202465 /nfs/dbraw/zinc/20/24/65/328202465.db2.gz IMKFVZLSHUOZSP-FRRDWIJNSA-N 0 1 265.401 3.799 20 0 CHADMN Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000414643856 328207071 /nfs/dbraw/zinc/20/70/71/328207071.db2.gz YNUTURUTFFKDSM-HNNXBMFYSA-N 0 1 297.398 3.756 20 0 CHADMN CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000414639652 328206168 /nfs/dbraw/zinc/20/61/68/328206168.db2.gz QAGBGRAUFHVBPF-HNNXBMFYSA-N 0 1 275.392 3.785 20 0 CHADMN Fc1cccc(CN2CC[C@@H](c3ccncc3)C2)c1Cl ZINC000571652649 328213169 /nfs/dbraw/zinc/21/31/69/328213169.db2.gz BECZRYWRKUHOMQ-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN COCCN(C/C(C)=C/c1ccccc1)Cc1cccnc1 ZINC000289538191 328255136 /nfs/dbraw/zinc/25/51/36/328255136.db2.gz WPUHMAYVUROZKM-GHRIWEEISA-N 0 1 296.414 3.634 20 0 CHADMN CC(C)n1nccc1CNCc1ccc2sccc2c1 ZINC000289854726 328256448 /nfs/dbraw/zinc/25/64/48/328256448.db2.gz OCBMAYRQJSOCFB-UHFFFAOYSA-N 0 1 285.416 3.969 20 0 CHADMN CC(C)O[C@@H]1C[C@@H](NCc2nc(C(C)C)cs2)C1(C)C ZINC000185238579 329269215 /nfs/dbraw/zinc/26/92/15/329269215.db2.gz LLKFYCVMYDSXRE-ZIAGYGMSSA-N 0 1 296.480 3.948 20 0 CHADMN COc1cccc2cc([C@H](C)N[C@@H]3CCC[C@@H]3F)oc21 ZINC000580338282 328275118 /nfs/dbraw/zinc/27/51/18/328275118.db2.gz RYQDIDCKWJUQFA-WCFLWFBJSA-N 0 1 277.339 3.983 20 0 CHADMN CCCc1ncc(CN[C@H](C)c2ccc(C)s2)o1 ZINC000453370472 328298452 /nfs/dbraw/zinc/29/84/52/328298452.db2.gz IEIVFHUMNSRERB-LLVKDONJSA-N 0 1 264.394 3.848 20 0 CHADMN CC[C@H](N[C@@H](C)c1nccnc1C)c1ccc(OC)cc1 ZINC000187698679 328300970 /nfs/dbraw/zinc/30/09/70/328300970.db2.gz CDBXELIZZGFKBN-BBRMVZONSA-N 0 1 285.391 3.596 20 0 CHADMN CCOc1cccc(NC(=O)c2ccc(Cl)cc2O)c1 ZINC000048442478 328313013 /nfs/dbraw/zinc/31/30/13/328313013.db2.gz UNEWTQWDGOOQMG-UHFFFAOYSA-N 0 1 291.734 3.697 20 0 CHADMN CC[C@@H](C)CN1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000534665942 328345056 /nfs/dbraw/zinc/34/50/56/328345056.db2.gz SJXAWRAWQYJRSN-DOMZBBRYSA-N 0 1 299.361 3.707 20 0 CHADMN CC[C@H](C)CN1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000534665945 328345159 /nfs/dbraw/zinc/34/51/59/328345159.db2.gz SJXAWRAWQYJRSN-WFASDCNBSA-N 0 1 299.361 3.707 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000111356532 328352628 /nfs/dbraw/zinc/35/26/28/328352628.db2.gz IWBIXHROZPAQIF-SECBINFHSA-N 0 1 295.789 3.680 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000534690804 328356243 /nfs/dbraw/zinc/35/62/43/328356243.db2.gz KKECSHHJWJKTMZ-OCCSQVGLSA-N 0 1 289.423 3.718 20 0 CHADMN CCCCc1nc2ccc(NC(=O)[C@@H](C)CC)cc2[nH]1 ZINC000049428880 328361159 /nfs/dbraw/zinc/36/11/59/328361159.db2.gz PWUZTJMUPDUGMI-NSHDSACASA-N 0 1 273.380 3.890 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)NC(C)(C)C ZINC000063742559 328366686 /nfs/dbraw/zinc/36/66/86/328366686.db2.gz WKRVFTOQIMDIKH-AWEZNQCLSA-N 0 1 296.842 3.638 20 0 CHADMN CC[C@@H]1CCCN1Cc1ccc(F)cc1Br ZINC000049595391 328374109 /nfs/dbraw/zinc/37/41/09/328374109.db2.gz HXPVVLUTDILVBE-GFCCVEGCSA-N 0 1 286.188 3.963 20 0 CHADMN Oc1ccc(Cl)cc1-c1nc(-c2ccc(F)cc2)no1 ZINC000111687844 328374448 /nfs/dbraw/zinc/37/44/48/328374448.db2.gz OSUXVYCYTUWIDG-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccc(C)n2)cc1Cl ZINC000112532674 328440502 /nfs/dbraw/zinc/44/05/02/328440502.db2.gz KLPPDMMSLYPHSX-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1ccc(C)c([C@@H](C)NCc2cccc(C)n2)c1 ZINC000051573715 328623223 /nfs/dbraw/zinc/62/32/23/328623223.db2.gz WOGLWEUYGKTOBZ-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN CC[C@H](N[C@@H](C)c1cccnc1)c1ccccc1OC ZINC000036995131 326833261 /nfs/dbraw/zinc/83/32/61/326833261.db2.gz FEUVQKBXYJZVQG-BBRMVZONSA-N 0 1 270.376 3.892 20 0 CHADMN COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1cccc(C)n1 ZINC000530545423 326865855 /nfs/dbraw/zinc/86/58/55/326865855.db2.gz FYPBTWOJQNPBEB-SFHVURJKSA-N 0 1 296.414 3.911 20 0 CHADMN FC(F)(F)OCCNCc1ccc(Cl)cc1Cl ZINC000398132059 326872463 /nfs/dbraw/zinc/87/24/63/326872463.db2.gz KQPPDAHVYBZLRI-UHFFFAOYSA-N 0 1 288.096 3.619 20 0 CHADMN CCCC1CCC(N[C@H](C)c2csnn2)CC1 ZINC000398272302 326877138 /nfs/dbraw/zinc/87/71/38/326877138.db2.gz QRTIONPMTSVDPY-VOMCLLRMSA-N 0 1 253.415 3.548 20 0 CHADMN COC[C@@H](NCc1cccc(C)c1C)c1ccc(F)cc1 ZINC000530729394 326887986 /nfs/dbraw/zinc/88/79/86/326887986.db2.gz AFAWMFMRXPHWJD-GOSISDBHSA-N 0 1 287.378 3.920 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1cnccn1)c1ccc(F)cc1 ZINC000070478268 326917038 /nfs/dbraw/zinc/91/70/38/326917038.db2.gz APYFYUFAGLJCRR-WBMJQRKESA-N 0 1 273.355 3.664 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2Cl)C(C)C)n(C)n1 ZINC000556608041 326953747 /nfs/dbraw/zinc/95/37/47/326953747.db2.gz CRQRVRCUJGFPEO-MRXNPFEDSA-N 0 1 291.826 3.869 20 0 CHADMN Cc1cc(Cl)cc(CN[C@@H](C)c2ccccn2)c1 ZINC000339168751 327008708 /nfs/dbraw/zinc/00/87/08/327008708.db2.gz FQGVFRSQNQSCBV-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1cc(F)ccc1CN1CCC(F)(F)[C@H](C)C1 ZINC000557532011 327011982 /nfs/dbraw/zinc/01/19/82/327011982.db2.gz UAOBMFPEWHIPPL-LLVKDONJSA-N 0 1 257.299 3.611 20 0 CHADMN OC[C@H]1CCCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000339744868 327014429 /nfs/dbraw/zinc/01/44/29/327014429.db2.gz AJUOWSZTMSLWNR-NSHDSACASA-N 0 1 288.218 3.588 20 0 CHADMN CC[C@@H](C)CN(CC)Cc1cc(C(C)(C)C)on1 ZINC000568803863 327017146 /nfs/dbraw/zinc/01/71/46/327017146.db2.gz YUCHYIVFLPAYKE-GFCCVEGCSA-N 0 1 252.402 3.840 20 0 CHADMN Cc1cccc([C@H](C)[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000261562486 327023589 /nfs/dbraw/zinc/02/35/89/327023589.db2.gz YQZBAIUEDOKAAK-GJZGRUSLSA-N 0 1 275.392 3.633 20 0 CHADMN CCn1cncc1CN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000090170248 327031656 /nfs/dbraw/zinc/03/16/56/327031656.db2.gz OKIHZOQJRNEYBI-CQSZACIVSA-N 0 1 287.407 3.541 20 0 CHADMN CCc1nc(CN[C@H]2C[C@@]2(CC)C(C)C)cs1 ZINC000453603867 331135936 /nfs/dbraw/zinc/13/59/36/331135936.db2.gz BCDADKRISJRKHB-JSGCOSHPSA-N 0 1 252.427 3.620 20 0 CHADMN CC(C)C[N@@H+](CC/C=C\c1ccccc1)CCC(=O)[O-] ZINC000584119084 327042918 /nfs/dbraw/zinc/04/29/18/327042918.db2.gz XCDXZWVMFKDTTG-POHAHGRESA-N 0 1 275.392 3.523 20 0 CHADMN CCN(Cc1ccc2c(n1)CCC2)[C@H](C)c1cccnc1 ZINC000569196275 327043411 /nfs/dbraw/zinc/04/34/11/327043411.db2.gz IMFGUKPAMJMIEJ-CQSZACIVSA-N 0 1 281.403 3.548 20 0 CHADMN CC(C)c1nc(CNCc2cccc(F)c2)c2ccccn21 ZINC000584177447 327059156 /nfs/dbraw/zinc/05/91/56/327059156.db2.gz YEHJDNZZOXGMOI-UHFFFAOYSA-N 0 1 297.377 3.887 20 0 CHADMN CC1(C)CC(Cc2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000584208512 327067166 /nfs/dbraw/zinc/06/71/66/327067166.db2.gz VQAFQVABSFSICX-UHFFFAOYSA-N 0 1 282.347 3.592 20 0 CHADMN CC[N@@H+](CCOC)CCc1cc(Cl)cc(Cl)c1 ZINC000558139118 327075618 /nfs/dbraw/zinc/07/56/18/327075618.db2.gz DYGVFBKWSZXPQX-UHFFFAOYSA-N 0 1 276.207 3.504 20 0 CHADMN Cc1cnc(CN(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)o1 ZINC000558184082 327077642 /nfs/dbraw/zinc/07/76/42/327077642.db2.gz WSEVAPJNBSWQKA-PHIMTYICSA-N 0 1 276.302 3.536 20 0 CHADMN Cc1ccc(C)c(CN2CCC3(C2)Oc2ccccc2O3)c1 ZINC000558177415 327077933 /nfs/dbraw/zinc/07/79/33/327077933.db2.gz ZERKXGZYEDGBNV-UHFFFAOYSA-N 0 1 295.382 3.677 20 0 CHADMN CC(C)OC1CC(Sc2nc(-c3ccccc3)n[nH]2)C1 ZINC000573069168 327088129 /nfs/dbraw/zinc/08/81/29/327088129.db2.gz PIWVMDZTEJOCPH-UHFFFAOYSA-N 0 1 289.404 3.520 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(Cl)cn1 ZINC000558410614 327092085 /nfs/dbraw/zinc/09/20/85/327092085.db2.gz ZZTSMCXHLBZPEV-JMSVASOKSA-N 0 1 264.800 3.888 20 0 CHADMN CC[C@@H]1CCC[C@@H](CN2CCOC[C@H]2CC(F)F)C1 ZINC000558414514 327092511 /nfs/dbraw/zinc/09/25/11/327092511.db2.gz PGLPYYIXOVWGJU-MGPQQGTHSA-N 0 1 275.383 3.559 20 0 CHADMN C[C@H](c1ccccc1F)N1CCC(F)(F)[C@@H](C)C1 ZINC000558467616 327096560 /nfs/dbraw/zinc/09/65/60/327096560.db2.gz ZLRJJMRVGCWEMZ-WDEREUQCSA-N 0 1 257.299 3.864 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1nc(-c2ccccc2F)no1 ZINC000558476101 327097273 /nfs/dbraw/zinc/09/72/73/327097273.db2.gz KLLAIPKDXUWZFF-GFCCVEGCSA-N 0 1 291.370 3.886 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1ccccc1F)CC2 ZINC000092835405 327104228 /nfs/dbraw/zinc/10/42/28/327104228.db2.gz LPVIDOWLOVLZFA-QGZVFWFLSA-N 0 1 271.335 3.611 20 0 CHADMN COc1ccc(CN2CCC[C@H]2/C=C\c2ccccc2)nc1 ZINC000558721928 327116896 /nfs/dbraw/zinc/11/68/96/327116896.db2.gz OMCTXJSMKHEFLB-FYGXRCCRSA-N 0 1 294.398 3.768 20 0 CHADMN COc1ccc2nc(S[C@H]3C[C@@H](C)O[C@@H](C)C3)[nH]c2c1 ZINC000558808953 327121653 /nfs/dbraw/zinc/12/16/53/327121653.db2.gz ZNEDNCDDFVQONV-IAZYJMLFSA-N 0 1 292.404 3.620 20 0 CHADMN Cc1cnc(CN2C[C@H](c3ccc(F)cc3)C[C@@H]2C)o1 ZINC000075750248 327127692 /nfs/dbraw/zinc/12/76/92/327127692.db2.gz FBGQTCYJZMJIOD-SMDDNHRTSA-N 0 1 274.339 3.500 20 0 CHADMN CC(C)Oc1cccc(CN[C@H](C)c2ccccn2)c1 ZINC000040640064 327145847 /nfs/dbraw/zinc/14/58/47/327145847.db2.gz DZMXSIAMQHZGPA-CQSZACIVSA-N 0 1 270.376 3.720 20 0 CHADMN CCCC[N@@H+](Cc1ccccc1Cl)CC1(C(=O)[O-])CC1 ZINC000564463102 327147925 /nfs/dbraw/zinc/14/79/25/327147925.db2.gz QJUISNVWZLDQQK-UHFFFAOYSA-N 0 1 295.810 3.807 20 0 CHADMN CCn1nc(C)c(CNCc2cc(C)cc(Cl)c2)c1C ZINC000559260165 327151461 /nfs/dbraw/zinc/15/14/61/327151461.db2.gz SGABHLDXCVEKGG-UHFFFAOYSA-N 0 1 291.826 3.771 20 0 CHADMN O[C@@H](CN[C@H](c1ccco1)c1ccccc1)CC1CCCC1 ZINC000564651605 327153332 /nfs/dbraw/zinc/15/33/32/327153332.db2.gz QZGYEXPMHQLXHH-MJGOQNOKSA-N 0 1 299.414 3.900 20 0 CHADMN CC[C@@H](N[C@@H](C)c1noc(COC(C)C)n1)C1CCCC1 ZINC000449332977 327163250 /nfs/dbraw/zinc/16/32/50/327163250.db2.gz FLPJZRQZLLNVDC-GXTWGEPZSA-N 0 1 295.427 3.614 20 0 CHADMN Cc1ccc(CN[C@@H]2c3ccc(F)cc3O[C@H]2C)cc1F ZINC000569405472 327172618 /nfs/dbraw/zinc/17/26/18/327172618.db2.gz FNCOBCUBHWZIBC-GTNSWQLSSA-N 0 1 289.325 3.885 20 0 CHADMN Cc1cc([C@@H](C)NCC2(c3ccc(F)cc3)CCC2)no1 ZINC000569413816 327173050 /nfs/dbraw/zinc/17/30/50/327173050.db2.gz XXTMOFPLNBXCCE-CYBMUJFWSA-N 0 1 288.366 3.895 20 0 CHADMN Cc1cc([C@@H](C)[N@@H+](C)CCc2ccccc2)oc1C(=O)[O-] ZINC000518546754 327173294 /nfs/dbraw/zinc/17/32/94/327173294.db2.gz OPZNKTAQCRQPPN-CYBMUJFWSA-N 0 1 287.359 3.522 20 0 CHADMN Fc1ccc(C2(NCc3ccncc3)CCCC2)c(F)c1 ZINC000089801800 327173649 /nfs/dbraw/zinc/17/36/49/327173649.db2.gz GTFCCNSUTUUIDQ-UHFFFAOYSA-N 0 1 288.341 3.919 20 0 CHADMN CSCc1cccc(CNCc2ccc3c(n2)CCC3)c1 ZINC000569433561 327176495 /nfs/dbraw/zinc/17/64/95/327176495.db2.gz GGJAPVWXQQMURJ-UHFFFAOYSA-N 0 1 298.455 3.723 20 0 CHADMN CCC(CC)CN1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000092356060 327192967 /nfs/dbraw/zinc/19/29/67/327192967.db2.gz SGHRZOPPUBSRKN-KRWDZBQOSA-N 0 1 299.418 3.914 20 0 CHADMN CC(C)C[C@@H]1CCCN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000559363925 327195787 /nfs/dbraw/zinc/19/57/87/327195787.db2.gz DRPZRIBFPRRGIN-HNNXBMFYSA-N 0 1 297.402 3.727 20 0 CHADMN Cc1ccoc1CN(C)[C@@H]1CCCc2nc(C)sc21 ZINC000093365124 327197636 /nfs/dbraw/zinc/19/76/36/327197636.db2.gz JAJGJRAOJRMZRV-CYBMUJFWSA-N 0 1 276.405 3.862 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3occc31)CCO2 ZINC000278908319 327207188 /nfs/dbraw/zinc/20/71/88/327207188.db2.gz ZYSQABGVXIXPOL-CVEARBPZSA-N 0 1 299.370 3.779 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000569611704 327212244 /nfs/dbraw/zinc/21/22/44/327212244.db2.gz JLOTWNHTTLTLOO-DOTOQJQBSA-N 0 1 289.419 3.736 20 0 CHADMN CCCCNc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000531011931 327215370 /nfs/dbraw/zinc/21/53/70/327215370.db2.gz JZHBBDMSHYVKFG-GASCZTMLSA-N 0 1 276.424 3.508 20 0 CHADMN Cc1cc(C)nc(Sc2nc3ccc(Cl)cc3[nH]2)n1 ZINC000559647051 327256800 /nfs/dbraw/zinc/25/68/00/327256800.db2.gz SXSPOPZWZQFMMA-UHFFFAOYSA-N 0 1 290.779 3.774 20 0 CHADMN Cc1ncsc1C[N@H+](C)[C@@H]1C=CCCCCC1 ZINC000559796794 327262328 /nfs/dbraw/zinc/26/23/28/327262328.db2.gz XPYGJEBEYQWTFK-CYBMUJFWSA-N 0 1 250.411 3.772 20 0 CHADMN C[C@@H](N[C@H]1CCC[C@H]1F)c1ccc2ccccc2n1 ZINC000559917901 327271225 /nfs/dbraw/zinc/27/12/25/327271225.db2.gz YEMGGEUKWRHKSI-KFNAQCHYSA-N 0 1 258.340 3.776 20 0 CHADMN FCC1(NCc2cnn(-c3ccc(Cl)cc3)c2)CCC1 ZINC000564960334 327276168 /nfs/dbraw/zinc/27/61/68/327276168.db2.gz CFQPIWAKOFHOOD-UHFFFAOYSA-N 0 1 293.773 3.508 20 0 CHADMN Cc1cc(CN[C@@H](c2cc3ccccc3o2)C(C)C)n(C)n1 ZINC000560237261 327291985 /nfs/dbraw/zinc/29/19/85/327291985.db2.gz AWCXOXTUUXHNTN-GOSISDBHSA-N 0 1 297.402 3.962 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000578076538 327298901 /nfs/dbraw/zinc/29/89/01/327298901.db2.gz MQUAUAPWOXPRRE-YPMHNXCESA-N 0 1 281.421 3.847 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000262134063 327317847 /nfs/dbraw/zinc/31/78/47/327317847.db2.gz LVMRLDCMZURBNM-BZSNNMDCSA-N 0 1 299.414 3.782 20 0 CHADMN Fc1ccc(Br)c(CN2CCC3(CCC3)C2)c1 ZINC000560551332 327323460 /nfs/dbraw/zinc/32/34/60/327323460.db2.gz ZQMBLQBBZSDCNL-UHFFFAOYSA-N 0 1 298.199 3.964 20 0 CHADMN CC(C)(C)c1ccc(CN2CCC[C@H]2CF)s1 ZINC000560612088 327330296 /nfs/dbraw/zinc/33/02/96/327330296.db2.gz XSUOTOACGVQRNG-NSHDSACASA-N 0 1 255.402 3.980 20 0 CHADMN CC(C)(C)C[C@H]1CCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000566358750 327334854 /nfs/dbraw/zinc/33/48/54/327334854.db2.gz LZDRFVUCYWMYMR-OAHLLOKOSA-N 0 1 289.419 3.828 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H]1C1CC1)c1noc(-c2ccccc2)n1 ZINC000566360232 327335877 /nfs/dbraw/zinc/33/58/77/327335877.db2.gz VKERILRSAFPTMH-NILFDRSVSA-N 0 1 283.375 3.576 20 0 CHADMN CCc1ccc(CN[C@@H](CO)c2ccc(Cl)cc2)s1 ZINC000560848280 327347652 /nfs/dbraw/zinc/34/76/52/327347652.db2.gz YTPHULMXSKLNSG-HNNXBMFYSA-N 0 1 295.835 3.787 20 0 CHADMN CCC1(C)CCN([C@@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000507212284 332796721 /nfs/dbraw/zinc/79/67/21/332796721.db2.gz VDHUVRXUXXCOEG-HNNXBMFYSA-N 0 1 288.435 3.834 20 0 CHADMN O=C1CCN(CC/C=C\c2ccccc2)C2(CCC2)C1 ZINC000566428880 327361028 /nfs/dbraw/zinc/36/10/28/327361028.db2.gz MLEAYDGOMMVWGE-WTKPLQERSA-N 0 1 269.388 3.678 20 0 CHADMN Cc1cc(Br)c2c(c1)CN(C(C)C)CC2 ZINC000074450752 327392319 /nfs/dbraw/zinc/39/23/19/327392319.db2.gz ROFJNXXPJYSSQT-UHFFFAOYSA-N 0 1 268.198 3.524 20 0 CHADMN Clc1ccc([C@@H]2CCCCN2Cc2cnc[nH]2)cc1 ZINC000449571425 327375735 /nfs/dbraw/zinc/37/57/35/327375735.db2.gz LEQGCUXWBBZGFT-HNNXBMFYSA-N 0 1 275.783 3.790 20 0 CHADMN CC(C)CCc1noc(CN[C@H](C)C2CCCCC2)n1 ZINC000561227916 327377665 /nfs/dbraw/zinc/37/76/65/327377665.db2.gz JJCXUCKRQBKXDP-CYBMUJFWSA-N 0 1 279.428 3.717 20 0 CHADMN CCOc1cccc([C@H](C)N[C@H](C)c2cnc(C)cn2)c1 ZINC000427819297 327437638 /nfs/dbraw/zinc/43/76/38/327437638.db2.gz RTQKTTJEOSMIDE-UONOGXRCSA-N 0 1 285.391 3.596 20 0 CHADMN C[C@H](NCCCOc1ccc(Cl)cc1)c1nccs1 ZINC000562706138 327506775 /nfs/dbraw/zinc/50/67/75/327506775.db2.gz AOMWYUSOGFNUGV-NSHDSACASA-N 0 1 296.823 3.916 20 0 CHADMN Cc1nc([C@@H](C)NCCSC(C)(C)C)cs1 ZINC000271455589 327526444 /nfs/dbraw/zinc/52/64/44/327526444.db2.gz JARKEPIHJISRRB-SECBINFHSA-N 0 1 258.456 3.634 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@H]1CCc2c1cccc2OC ZINC000507460825 332806766 /nfs/dbraw/zinc/80/67/66/332806766.db2.gz JSMPXNVWOPCWRJ-DYVFJYSZSA-N 0 1 296.414 3.991 20 0 CHADMN CC(C)[C@@H](C)N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000368356866 327532694 /nfs/dbraw/zinc/53/26/94/327532694.db2.gz FWTDRHXFLLUXOJ-MLGOLLRUSA-N 0 1 291.826 3.797 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@H]1CCc2c1cccc2O ZINC000507508179 332810659 /nfs/dbraw/zinc/81/06/59/332810659.db2.gz ISRZYCOQTZOMGY-WBMJQRKESA-N 0 1 282.387 3.688 20 0 CHADMN CCCCO[C@@H]1C[C@H](N[C@H](C)c2cscn2)C1(C)C ZINC000536626242 328670232 /nfs/dbraw/zinc/67/02/32/328670232.db2.gz PVSHUDOUMWIHMJ-KWCYVHTRSA-N 0 1 282.453 3.778 20 0 CHADMN COc1ccccc1/C=C/CN1CCC(C(F)F)CC1 ZINC000536678356 328680917 /nfs/dbraw/zinc/68/09/17/328680917.db2.gz UBYLBHGVWAVUDF-GQCTYLIASA-N 0 1 281.346 3.686 20 0 CHADMN CC(C)[C@H](C)CN[C@H](Cc1ccccc1)C(F)F ZINC000536694183 328682698 /nfs/dbraw/zinc/68/26/98/328682698.db2.gz ZACAPHAKURYMJL-TZMCWYRMSA-N 0 1 255.352 3.745 20 0 CHADMN CC[C@H](N[C@H](C)c1ccncn1)c1ccc(C)cc1 ZINC000395816288 328761069 /nfs/dbraw/zinc/76/10/69/328761069.db2.gz NOWVGBRVLHEWNC-HIFRSBDPSA-N 0 1 255.365 3.587 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1ccncn1)c1ccccc1 ZINC000395922056 328781080 /nfs/dbraw/zinc/78/10/80/328781080.db2.gz UINXLBQCRPUBFC-XJKSGUPXSA-N 0 1 255.365 3.525 20 0 CHADMN CC(C)[C@@H](C)CN[C@H](c1nccn1C)c1cccc(F)c1 ZINC000507918305 332829796 /nfs/dbraw/zinc/82/97/96/332829796.db2.gz MIINKUCPPUSMAR-BBRMVZONSA-N 0 1 289.398 3.530 20 0 CHADMN CCCCc1nc(CN[C@]2(C)CCO[C@H]2C2CC2)cs1 ZINC000374632689 328995861 /nfs/dbraw/zinc/99/58/61/328995861.db2.gz SHZZJXGITBIDMG-JKSUJKDBSA-N 0 1 294.464 3.533 20 0 CHADMN CCCN(Cc1snnc1C)[C@@H]1CCc2ccccc21 ZINC000583696153 329011408 /nfs/dbraw/zinc/01/14/08/329011408.db2.gz HGHKXZGFGOQVSZ-OAHLLOKOSA-N 0 1 287.432 3.746 20 0 CHADMN CC(C)(C)[C@@H]1C[C@@H](NCc2noc3c2CCCC3)CS1 ZINC000377884416 329033345 /nfs/dbraw/zinc/03/33/45/329033345.db2.gz OIAHDVBZHUZMAX-ABAIWWIYSA-N 0 1 294.464 3.563 20 0 CHADMN COc1cccc2c1OCC[C@H]2N[C@H](C)c1ccsc1 ZINC000378405329 329049128 /nfs/dbraw/zinc/04/91/28/329049128.db2.gz RAMSQISKWTVSBS-BXUZGUMPSA-N 0 1 289.400 3.931 20 0 CHADMN COc1cccc2c1OCC[C@@H]2N[C@@H](C)c1ccsc1 ZINC000378405330 329049180 /nfs/dbraw/zinc/04/91/80/329049180.db2.gz RAMSQISKWTVSBS-FZMZJTMJSA-N 0 1 289.400 3.931 20 0 CHADMN Cc1cccc(C)c1CSCc1n[nH]c(C2CC2)n1 ZINC000193664388 329060578 /nfs/dbraw/zinc/06/05/78/329060578.db2.gz LBBTUGGIXPCEDF-UHFFFAOYSA-N 0 1 273.405 3.732 20 0 CHADMN CCc1cccc(CSCc2n[nH]c(C3CC3)n2)c1 ZINC000193733421 329061461 /nfs/dbraw/zinc/06/14/61/329061461.db2.gz SRECDONFKKALMO-UHFFFAOYSA-N 0 1 273.405 3.678 20 0 CHADMN O=C([O-])c1ccccc1C[N@@H+](CC1CC1)C1CCCCC1 ZINC000583698840 329069517 /nfs/dbraw/zinc/06/95/17/329069517.db2.gz REAKXCGEKZICQR-UHFFFAOYSA-N 0 1 287.403 3.930 20 0 CHADMN CC(C)COc1ccccc1CN[C@@H](C)c1cccnc1 ZINC000171979500 329082856 /nfs/dbraw/zinc/08/28/56/329082856.db2.gz FLHNRTOPUBPXJK-HNNXBMFYSA-N 0 1 284.403 3.967 20 0 CHADMN Cn1ccc([C@@H](NCC2CCC2)c2ccc(Cl)cc2)n1 ZINC000542666621 329083890 /nfs/dbraw/zinc/08/38/90/329083890.db2.gz PLNMECRNCVOLHY-INIZCTEOSA-N 0 1 289.810 3.553 20 0 CHADMN Fc1ccc(-n2nccc2C[N@H+]2CC[C@H](CC3CC3)C2)cc1 ZINC000582716912 329129828 /nfs/dbraw/zinc/12/98/28/329129828.db2.gz PPCQVVANDZSXEG-OAHLLOKOSA-N 0 1 299.393 3.633 20 0 CHADMN CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1occc1C(=O)[O-] ZINC000582729789 329132169 /nfs/dbraw/zinc/13/21/69/329132169.db2.gz HGVXWHQILHKAEL-GFCCVEGCSA-N 0 1 291.372 3.549 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCCCCC(=O)[O-] ZINC000582730831 329132329 /nfs/dbraw/zinc/13/23/29/329132329.db2.gz VIBVUVSHCYJISX-GOEBONIOSA-N 0 1 275.392 3.509 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1nccn1Cc1ccccc1 ZINC000172855489 329139508 /nfs/dbraw/zinc/13/95/08/329139508.db2.gz MPEUACCEESHQMJ-JKSUJKDBSA-N 0 1 283.419 3.552 20 0 CHADMN C[C@H]1CCN(Cc2ccccn2)[C@@H]1c1cccc(F)c1 ZINC000175147889 329163400 /nfs/dbraw/zinc/16/34/00/329163400.db2.gz XFHAFURJURUOOR-GUYCJALGSA-N 0 1 270.351 3.804 20 0 CHADMN CO[C@H](C)c1nc(CN2CCC[C@@H]2C2CCC2)cs1 ZINC000175171356 329165959 /nfs/dbraw/zinc/16/59/59/329165959.db2.gz KXVZIOHRVYPBJK-BXUZGUMPSA-N 0 1 280.437 3.615 20 0 CHADMN CN(Cc1ccc[nH]1)Cc1ccccc1C(F)(F)F ZINC000175428898 329168307 /nfs/dbraw/zinc/16/83/07/329168307.db2.gz KWBFKQCEKQZNHK-UHFFFAOYSA-N 0 1 268.282 3.666 20 0 CHADMN C[C@@H]1CCCN(Cc2nc3cc(F)ccc3o2)[C@@H]1C ZINC000177101373 329180826 /nfs/dbraw/zinc/18/08/26/329180826.db2.gz LXXRHBPSDCMMEC-GHMZBOCLSA-N 0 1 262.328 3.587 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccc1-n1cccn1)c1ccco1 ZINC000177188851 329181713 /nfs/dbraw/zinc/18/17/13/329181713.db2.gz RZHHCDOASPILPY-ZIAGYGMSSA-N 0 1 281.359 3.877 20 0 CHADMN C[C@@H](C(=O)Nc1cc(Cl)ccc1F)N1CC[C@@H](C)[C@H]1C ZINC000177910180 329190251 /nfs/dbraw/zinc/19/02/51/329190251.db2.gz YUEXSQRVYWGOEX-MXWKQRLJSA-N 0 1 298.789 3.536 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccco1 ZINC000178123129 329196262 /nfs/dbraw/zinc/19/62/62/329196262.db2.gz FAOMYJXZNODVPP-RRQGHBQHSA-N 0 1 271.360 3.851 20 0 CHADMN Cc1nccn1-c1ccc(CN[C@@H](C)c2ccoc2)cc1F ZINC000178625888 329201689 /nfs/dbraw/zinc/20/16/89/329201689.db2.gz BNJVBSVHARXSKL-LBPRGKRZSA-N 0 1 299.349 3.764 20 0 CHADMN C[C@H](N[C@@H]1CCCOc2cc(F)ccc21)c1ccncc1 ZINC000179966999 329213928 /nfs/dbraw/zinc/21/39/28/329213928.db2.gz AFFISXMDOOUDTL-BLLLJJGKSA-N 0 1 286.350 3.785 20 0 CHADMN CCn1nccc1CN1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000179991984 329214379 /nfs/dbraw/zinc/21/43/79/329214379.db2.gz RZLVJLZPJNZBLN-SUMWQHHRSA-N 0 1 287.382 3.625 20 0 CHADMN CN(Cc1csc2ccccc12)Cc1n[nH]c(C2CC2)n1 ZINC000180408769 329216017 /nfs/dbraw/zinc/21/60/17/329216017.db2.gz SMDVKFBMUDNWAS-UHFFFAOYSA-N 0 1 298.415 3.529 20 0 CHADMN CCC1CCC(N(Cc2nnc(C3CC3)[nH]2)C2CC2)CC1 ZINC000180410578 329216210 /nfs/dbraw/zinc/21/62/10/329216210.db2.gz OJWVZODPUQDZQU-UHFFFAOYSA-N 0 1 288.439 3.615 20 0 CHADMN Cc1ccc2nc(CNC(=O)C3C[C@H](C)C[C@H](C)C3)[nH]c2c1 ZINC000180335266 329219907 /nfs/dbraw/zinc/21/99/07/329219907.db2.gz CMYOZTHMQXKLJP-PBWFPOADSA-N 0 1 299.418 3.560 20 0 CHADMN Cc1cnc(CN2CCC(C(C)(C)C)CC2)s1 ZINC000180498017 329220046 /nfs/dbraw/zinc/22/00/46/329220046.db2.gz NWGOTJDVSWFOLL-UHFFFAOYSA-N 0 1 252.427 3.710 20 0 CHADMN CCn1cc(CN2CC=C(c3cccc(C)c3)CC2)cn1 ZINC000180781158 329222982 /nfs/dbraw/zinc/22/29/82/329222982.db2.gz CKAQMUWWMUGNMU-UHFFFAOYSA-N 0 1 281.403 3.501 20 0 CHADMN CC(C)CN(Cc1nnc(C2CCC2)n1C)CC(C)(C)C ZINC000181428350 329236836 /nfs/dbraw/zinc/23/68/36/329236836.db2.gz RYQZROAMEWCEOE-UHFFFAOYSA-N 0 1 292.471 3.587 20 0 CHADMN CCc1nc(C)c([C@H](C)NCc2cncc(C)c2)s1 ZINC000181829207 329237815 /nfs/dbraw/zinc/23/78/15/329237815.db2.gz XCCFJKNREJNZGD-NSHDSACASA-N 0 1 275.421 3.568 20 0 CHADMN CCc1nc2c(s1)[C@@H](NCc1cncc(C)c1)CCC2 ZINC000181845663 329237877 /nfs/dbraw/zinc/23/78/77/329237877.db2.gz DRXMTJHQAVKBOC-ZDUSSCGKSA-N 0 1 287.432 3.576 20 0 CHADMN Cc1cncc(CN[C@@H](C)c2cc(F)cc(F)c2)c1 ZINC000181842586 329237902 /nfs/dbraw/zinc/23/79/02/329237902.db2.gz ZFPOIWPQVWAWQC-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN CC[C@H](C)[C@H](C)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000184238162 329258187 /nfs/dbraw/zinc/25/81/87/329258187.db2.gz LFZQDENWZPCBQY-ONGXEEELSA-N 0 1 289.379 3.907 20 0 CHADMN CCCC[C@@H]1CCC[C@@H]1NCc1nnc(C(C)C)o1 ZINC000184699469 329262184 /nfs/dbraw/zinc/26/21/84/329262184.db2.gz LZJUNLQQOMOLQG-OLZOCXBDSA-N 0 1 265.401 3.642 20 0 CHADMN C[C@@H]1C[C@@H](c2cccnc2)N(Cc2cccc(F)c2)C1 ZINC000184896838 329263633 /nfs/dbraw/zinc/26/36/33/329263633.db2.gz NRRSVMKLPYWZHF-DYVFJYSZSA-N 0 1 270.351 3.804 20 0 CHADMN Cc1cccc(CNCc2nc3ccccc3n2C2CC2)c1 ZINC000184778796 329264099 /nfs/dbraw/zinc/26/40/99/329264099.db2.gz HSPGBJZJKXZGNQ-UHFFFAOYSA-N 0 1 291.398 3.969 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccsc2C(=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000582908860 329287068 /nfs/dbraw/zinc/28/70/68/329287068.db2.gz AHUVFNQAMXQITN-KWCYVHTRSA-N 0 1 293.432 3.847 20 0 CHADMN Fc1cncc(CN2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000583090147 329314164 /nfs/dbraw/zinc/31/41/64/329314164.db2.gz ZXNRCTONWPAVQW-CQSZACIVSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cn3ccccc3n2)c(C)c1 ZINC000583092966 329314975 /nfs/dbraw/zinc/31/49/75/329314975.db2.gz CBKBJWUOKWYKQN-HNNXBMFYSA-N 0 1 279.387 3.802 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(Cl)cc2)c(C)n1 ZINC000186586939 329345663 /nfs/dbraw/zinc/34/56/63/329345663.db2.gz CRWXKKVYXLTRAO-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N1CCC(C)(CO)CC1 ZINC000187551772 329359047 /nfs/dbraw/zinc/35/90/47/329359047.db2.gz YHCSWIOUFIRLBX-NSHDSACASA-N 0 1 285.790 3.635 20 0 CHADMN CCCN(C(=O)c1cc(C2CCCCC2)[nH]n1)C(C)C ZINC000583213941 329367695 /nfs/dbraw/zinc/36/76/95/329367695.db2.gz QQLRTPYZWXZJQC-UHFFFAOYSA-N 0 1 277.412 3.718 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000188971406 329374587 /nfs/dbraw/zinc/37/45/87/329374587.db2.gz CWDHWVJSPCIKOO-GFCCVEGCSA-N 0 1 293.773 3.582 20 0 CHADMN C[C@@H](NCc1cncc(F)c1)c1ccc(Cl)cc1 ZINC000231896455 329381630 /nfs/dbraw/zinc/38/16/30/329381630.db2.gz AHFWUFBZVNIHJW-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN Cc1ccc(OC2CCN(Cc3cncc(C)c3)CC2)cc1 ZINC000189892844 329388071 /nfs/dbraw/zinc/38/80/71/329388071.db2.gz PMZFKGAVOOZXRW-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN CCc1nnc(CN2CCCC3(CCCCC3)CC2)o1 ZINC000190321385 329394702 /nfs/dbraw/zinc/39/47/02/329394702.db2.gz VAFZPRSBFRZBNV-UHFFFAOYSA-N 0 1 277.412 3.568 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc3c(c2)CCCC3)nc1 ZINC000514149473 329410645 /nfs/dbraw/zinc/41/06/45/329410645.db2.gz NIXXHPQTNGDCDN-CQSZACIVSA-N 0 1 296.414 3.820 20 0 CHADMN C[C@@H](NCc1cc(F)cc2cccnc21)c1ccccn1 ZINC000193106316 329437593 /nfs/dbraw/zinc/43/75/93/329437593.db2.gz MVLJDLBEXNYDLS-GFCCVEGCSA-N 0 1 281.334 3.620 20 0 CHADMN CCc1nc(CNCCc2ccc(F)cc2Cl)cs1 ZINC000584461014 329491774 /nfs/dbraw/zinc/49/17/74/329491774.db2.gz CNGISJDGCQHSCM-UHFFFAOYSA-N 0 1 298.814 3.830 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(-c3ccncc3)c2)on1 ZINC000125707778 329586300 /nfs/dbraw/zinc/58/63/00/329586300.db2.gz NJURPKOIVDRLKQ-CQSZACIVSA-N 0 1 293.370 3.896 20 0 CHADMN Cc1oncc1CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000129924325 329621199 /nfs/dbraw/zinc/62/11/99/329621199.db2.gz WYBQWKKGTHRFMN-ZDUSSCGKSA-N 0 1 293.370 3.896 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc3c[nH]nc3c2)c(C)o1 ZINC000237590849 329694589 /nfs/dbraw/zinc/69/45/89/329694589.db2.gz IEQJPNBLDJYVDH-NSHDSACASA-N 0 1 269.348 3.624 20 0 CHADMN C[C@@H]1CC[C@H](N[C@H](CCO)c2ccco2)c2ccccc21 ZINC000249059506 329904145 /nfs/dbraw/zinc/90/41/45/329904145.db2.gz YEELRKHEWDXWLE-XOKHGSTOSA-N 0 1 285.387 3.931 20 0 CHADMN [O-]c1cccc(C[NH2+]CCSc2ccccc2)c1Cl ZINC000393299358 329915554 /nfs/dbraw/zinc/91/55/54/329915554.db2.gz WQXCORWOTGFGGX-UHFFFAOYSA-N 0 1 293.819 3.928 20 0 CHADMN COc1ccccc1C(C)(C)NCc1cc(F)cc(F)c1 ZINC000161939323 329957768 /nfs/dbraw/zinc/95/77/68/329957768.db2.gz VACGBOYYCGYPLR-UHFFFAOYSA-N 0 1 291.341 3.998 20 0 CHADMN Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CCCCC(=O)[O-])cc1 ZINC000262237706 330002283 /nfs/dbraw/zinc/00/22/83/330002283.db2.gz NJCNDDDVZLQKHV-DLBZAZTESA-N 0 1 289.419 3.818 20 0 CHADMN Cc1ccccc1Cc1noc(CN[C@@H]2CCCC[C@@H]2C)n1 ZINC000162393542 330016106 /nfs/dbraw/zinc/01/61/06/330016106.db2.gz ATVGSLYOTCZLLX-GOEBONIOSA-N 0 1 299.418 3.637 20 0 CHADMN CC(C)C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000262944520 330037358 /nfs/dbraw/zinc/03/73/58/330037358.db2.gz AESXYXPBFMFSAU-AWEZNQCLSA-N 0 1 275.392 3.643 20 0 CHADMN CCCC1CCC(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)CC1 ZINC000263064218 330041618 /nfs/dbraw/zinc/04/16/18/330041618.db2.gz NOZORRNQDFOYQB-LMPOIIKSSA-N 0 1 281.440 3.636 20 0 CHADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000263311643 330052294 /nfs/dbraw/zinc/05/22/94/330052294.db2.gz IARJRKAORRIURH-ZFWWWQNUSA-N 0 1 299.370 3.632 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263375637 330053064 /nfs/dbraw/zinc/05/30/64/330053064.db2.gz BTNMHNBPXLUJSU-KBXCAEBGSA-N 0 1 295.382 3.763 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(C2CCCC2)cc1 ZINC000263379586 330053447 /nfs/dbraw/zinc/05/34/47/330053447.db2.gz BIEOQOLFOAYXFV-UHFFFAOYSA-N 0 1 275.392 3.641 20 0 CHADMN Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000263391581 330053798 /nfs/dbraw/zinc/05/37/98/330053798.db2.gz FLOLPFMPZMMPQW-MRXNPFEDSA-N 0 1 295.382 3.569 20 0 CHADMN CC(C)[C@@H]1[N@@H+](Cc2ccc(C(=O)[O-])cc2)CC12CCCC2 ZINC000263395932 330054188 /nfs/dbraw/zinc/05/41/88/330054188.db2.gz GNSMCMXOOSYQDS-INIZCTEOSA-N 0 1 287.403 3.785 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000263440401 330055995 /nfs/dbraw/zinc/05/59/95/330055995.db2.gz WFECRKDTMILFCA-HNNXBMFYSA-N 0 1 275.392 3.643 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1cc(-c2ccccc2)cs1 ZINC000263443471 330056123 /nfs/dbraw/zinc/05/61/23/330056123.db2.gz XEADFZNVJMHBBD-UHFFFAOYSA-N 0 1 289.400 3.712 20 0 CHADMN CC[C@H](C)[C@H](C)[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CC1 ZINC000263444603 330056180 /nfs/dbraw/zinc/05/61/80/330056180.db2.gz FOMBCGZKMVDTLM-STQMWFEESA-N 0 1 275.392 3.784 20 0 CHADMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(C3CCCC3)cc2)C1 ZINC000263512408 330058464 /nfs/dbraw/zinc/05/84/64/330058464.db2.gz NTZXMNWFMMCUCD-SFHVURJKSA-N 0 1 287.403 3.641 20 0 CHADMN CC1CCC([N@@H+](Cc2ccc(C(=O)[O-])cc2)C2CC2)CC1 ZINC000263579244 330059756 /nfs/dbraw/zinc/05/97/56/330059756.db2.gz UJFCXZSDXJTHRP-UHFFFAOYSA-N 0 1 287.403 3.928 20 0 CHADMN CC(C)(C)c1ccc2c(c1)C[N@H+](CCCCC(=O)[O-])CC2 ZINC000263578624 330059835 /nfs/dbraw/zinc/05/98/35/330059835.db2.gz SVKKUCYDQGIRON-UHFFFAOYSA-N 0 1 289.419 3.597 20 0 CHADMN COC[C@@H](C)CNC1(c2c(Cl)cccc2Cl)CC1 ZINC000527111794 330060074 /nfs/dbraw/zinc/06/00/74/330060074.db2.gz UFBZYUFXCAZOOR-JTQLQIEISA-N 0 1 288.218 3.855 20 0 CHADMN C[C@H]1CCCCC[N@H+]1Cc1c(Cl)cccc1C(=O)[O-] ZINC000572413519 330064954 /nfs/dbraw/zinc/06/49/54/330064954.db2.gz GVLDNVWBWZOCGD-NSHDSACASA-N 0 1 281.783 3.803 20 0 CHADMN Cc1cccc(N(C)C(=O)c2cn[nH]c2-c2ccccc2)c1 ZINC000079940504 330072391 /nfs/dbraw/zinc/07/23/91/330072391.db2.gz YXPGDVDSHZNEIT-UHFFFAOYSA-N 0 1 291.354 3.662 20 0 CHADMN C[C@@H](NCCOc1ccccc1F)c1ccncc1Cl ZINC000421799171 330080177 /nfs/dbraw/zinc/08/01/77/330080177.db2.gz DIMMXMFNXYNCKD-LLVKDONJSA-N 0 1 294.757 3.604 20 0 CHADMN COc1cc(Cl)ccc1[C@H](C)NCc1cccc(O)c1 ZINC000421823186 330083143 /nfs/dbraw/zinc/08/31/43/330083143.db2.gz CJINREOJHDBAMA-NSHDSACASA-N 0 1 291.778 3.905 20 0 CHADMN C[C@@H](NCCOc1cccc(F)c1)c1ccncc1Cl ZINC000421825610 330083345 /nfs/dbraw/zinc/08/33/45/330083345.db2.gz OMRQMPSEVDGMQY-LLVKDONJSA-N 0 1 294.757 3.604 20 0 CHADMN C[C@@H](NCCOc1ccc(F)cc1)c1ccncc1Cl ZINC000421826108 330083646 /nfs/dbraw/zinc/08/36/46/330083646.db2.gz RANGADVMTOVCEN-LLVKDONJSA-N 0 1 294.757 3.604 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccncc2Cl)c1 ZINC000421817396 330085993 /nfs/dbraw/zinc/08/59/93/330085993.db2.gz UJHKICCYMSNXAG-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN CO[C@H](CN[C@@H](C)c1ccncc1Cl)c1ccccc1 ZINC000421820478 330086703 /nfs/dbraw/zinc/08/67/03/330086703.db2.gz MMUFDDCSAHWCSS-BLLLJJGKSA-N 0 1 290.794 3.773 20 0 CHADMN CCC(C)(C)OCCN[C@H](C)c1ccncc1Cl ZINC000421854687 330088893 /nfs/dbraw/zinc/08/88/93/330088893.db2.gz LGVDAFWMASYLEI-LLVKDONJSA-N 0 1 270.804 3.591 20 0 CHADMN CCc1nc(CN[C@H](C)C2(OC)CCCCC2)cs1 ZINC000421839055 330092699 /nfs/dbraw/zinc/09/26/99/330092699.db2.gz WGBRQVLMHVDUNK-GFCCVEGCSA-N 0 1 282.453 3.533 20 0 CHADMN Cc1csc(CN[C@@H](C)c2ccncc2Cl)c1 ZINC000421861866 330098092 /nfs/dbraw/zinc/09/80/92/330098092.db2.gz VPQACYOFVICWOF-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN CC(C)(C)c1nc(CSc2ccc3ccccc3n2)n[nH]1 ZINC000572461246 330110824 /nfs/dbraw/zinc/11/08/24/330110824.db2.gz DMOIHMYXXQFCCF-UHFFFAOYSA-N 0 1 298.415 3.943 20 0 CHADMN Cc1cc(N)cc(CN[C@H](C)c2ccc(F)cc2F)c1 ZINC000423476203 330205666 /nfs/dbraw/zinc/20/56/66/330205666.db2.gz IQIQBFZWMBEHSE-LLVKDONJSA-N 0 1 276.330 3.706 20 0 CHADMN C[C@H](N[C@@H]1COC(C)(C)C1)c1ccccc1Br ZINC000396842909 330227205 /nfs/dbraw/zinc/22/72/05/330227205.db2.gz IROSVNPTYZHRPB-QWRGUYRKSA-N 0 1 298.224 3.667 20 0 CHADMN Fc1cccc(OCCNCc2c(F)cccc2Cl)c1 ZINC000032179598 330238044 /nfs/dbraw/zinc/23/80/44/330238044.db2.gz MWAWLIWCGIBTNU-UHFFFAOYSA-N 0 1 297.732 3.787 20 0 CHADMN CN[C@@H](c1ccccc1Cl)c1ccc(OC)cc1OC ZINC000035488769 330247173 /nfs/dbraw/zinc/24/71/73/330247173.db2.gz VAIAIVLPHPJNKN-INIZCTEOSA-N 0 1 291.778 3.666 20 0 CHADMN FC1(CNCc2ccccc2OCc2ccccc2)CC1 ZINC000527517978 330256847 /nfs/dbraw/zinc/25/68/47/330256847.db2.gz GURCSUZQKGTFBT-UHFFFAOYSA-N 0 1 285.362 3.857 20 0 CHADMN Cc1ccc(CN2[C@H](C)C[C@H]2C)c(Br)c1 ZINC000527529432 330258156 /nfs/dbraw/zinc/25/81/56/330258156.db2.gz NNNMXQUOPHMERI-GHMZBOCLSA-N 0 1 268.198 3.740 20 0 CHADMN C[C@@H]1C[C@@H](C)N1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000527529713 330258367 /nfs/dbraw/zinc/25/83/67/330258367.db2.gz WKBZUXYSAFXVQV-NXEZZACHSA-N 0 1 291.288 3.750 20 0 CHADMN C/C(Cl)=C/CN1CCCC[C@H]1c1cccn1C ZINC000528401414 330264403 /nfs/dbraw/zinc/26/44/03/330264403.db2.gz WJMLLQPCGUTCSU-UNJUUPHPSA-N 0 1 252.789 3.695 20 0 CHADMN COc1ccnc(NCc2ccsc2C(F)(F)F)c1 ZINC000527681744 330271063 /nfs/dbraw/zinc/27/10/63/330271063.db2.gz CQEJAJYEYCUAGY-UHFFFAOYSA-N 0 1 288.294 3.783 20 0 CHADMN CCCc1nc(C)c(CNCc2ccc3cc[nH]c3c2)o1 ZINC000527710461 330275853 /nfs/dbraw/zinc/27/58/53/330275853.db2.gz PBQIENBQBLBXEP-UHFFFAOYSA-N 0 1 283.375 3.707 20 0 CHADMN CC(C)Cc1ccccc1CNCc1cn2ccccc2n1 ZINC000527732832 330278341 /nfs/dbraw/zinc/27/83/41/330278341.db2.gz MQRFKMPMFRSSFE-UHFFFAOYSA-N 0 1 293.414 3.823 20 0 CHADMN CC(C)(C)n1cc(CN[C@@H](c2ccccn2)C2CCC2)cn1 ZINC000527769723 330281868 /nfs/dbraw/zinc/28/18/68/330281868.db2.gz BBKHQYDSOJYTAS-QGZVFWFLSA-N 0 1 298.434 3.664 20 0 CHADMN CCc1ncc(CN[C@@H](c2ccccn2)C2CCC2)s1 ZINC000527770203 330281899 /nfs/dbraw/zinc/28/18/99/330281899.db2.gz DEISJMFIUXTSJP-MRXNPFEDSA-N 0 1 287.432 3.732 20 0 CHADMN CC(C)(C)n1cc(CN[C@H](c2ccccn2)C2CCC2)cn1 ZINC000527769721 330281905 /nfs/dbraw/zinc/28/19/05/330281905.db2.gz BBKHQYDSOJYTAS-KRWDZBQOSA-N 0 1 298.434 3.664 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@H](c1ccccn1)C1CCC1 ZINC000527771561 330282042 /nfs/dbraw/zinc/28/20/42/330282042.db2.gz KCJSDUQFBCBPFP-SFHVURJKSA-N 0 1 298.434 3.798 20 0 CHADMN Fc1cc2c(cc1Cl)[C@@H](NCc1ccco1)CC2 ZINC000527843941 330287497 /nfs/dbraw/zinc/28/74/97/330287497.db2.gz QKGUNHIVDSWTKC-AWEZNQCLSA-N 0 1 265.715 3.849 20 0 CHADMN CC(C)c1nc(CN[C@@H](C)c2cccc(C(C)C)c2)n[nH]1 ZINC000527906011 330290105 /nfs/dbraw/zinc/29/01/05/330290105.db2.gz YPJUCVFRQNAIOX-ZDUSSCGKSA-N 0 1 286.423 3.902 20 0 CHADMN CC[C@H](NCc1cnc(C)o1)c1cc(C)ccc1C ZINC000527908323 330290469 /nfs/dbraw/zinc/29/04/69/330290469.db2.gz GLECPRIPNNHKIA-INIZCTEOSA-N 0 1 258.365 3.841 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](C)c2cccc(C(C)C)c2)n[nH]1 ZINC000527875955 330291257 /nfs/dbraw/zinc/29/12/57/330291257.db2.gz HDXGXZYSGOCWDN-QWHCGFSZSA-N 0 1 286.423 3.902 20 0 CHADMN Cc1cncc([C@H](C)N[C@H](c2ccccn2)C2CCC2)c1 ZINC000527961695 330300744 /nfs/dbraw/zinc/30/07/44/330300744.db2.gz CQIKUQXNRWVPAK-KSSFIOAISA-N 0 1 281.403 3.977 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](c2ccccn2)C2CCC2)c(C)n1 ZINC000527966947 330301286 /nfs/dbraw/zinc/30/12/86/330301286.db2.gz LUOSLLBTDORNAZ-UGSOOPFHSA-N 0 1 296.418 3.680 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ncccc1F ZINC000528038235 330303321 /nfs/dbraw/zinc/30/33/21/330303321.db2.gz RMWUOFLOBPDCQZ-FPMFFAJLSA-N 0 1 294.414 3.854 20 0 CHADMN Cc1cccc([C@H](N[C@@H](C)c2ccn(C)n2)C(C)C)c1 ZINC000528012203 330304089 /nfs/dbraw/zinc/30/40/89/330304089.db2.gz RDCYAJHIQVDHMF-WMLDXEAASA-N 0 1 271.408 3.776 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnccn1)c1cc(C)ccc1C ZINC000528022518 330304784 /nfs/dbraw/zinc/30/47/84/330304784.db2.gz ZKRITPKSYZFDEK-HOCLYGCPSA-N 0 1 269.392 3.895 20 0 CHADMN Cc1ccccc1-c1nc(=NCCCC(C)(F)F)s[nH]1 ZINC000528031131 330305352 /nfs/dbraw/zinc/30/53/52/330305352.db2.gz SBDLPOPRPKFWPV-UHFFFAOYSA-N 0 1 297.374 3.783 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1cc(CO)ccc1F ZINC000528339881 330319613 /nfs/dbraw/zinc/31/96/13/330319613.db2.gz KAOCFRYXSMXAGN-ZDUSSCGKSA-N 0 1 273.351 3.511 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2cccnc2C(F)(F)F)C1 ZINC000528346327 330321238 /nfs/dbraw/zinc/32/12/38/330321238.db2.gz YVULMGUDAJSRGC-QWRGUYRKSA-N 0 1 272.314 3.578 20 0 CHADMN CC(C)N(Cc1cccs1)Cc1cc(CO)ccc1F ZINC000528357920 330321901 /nfs/dbraw/zinc/32/19/01/330321901.db2.gz KJXHIHAWIBPRCA-UHFFFAOYSA-N 0 1 293.407 3.790 20 0 CHADMN C/C(Cl)=C/CN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000528361470 330322376 /nfs/dbraw/zinc/32/23/76/330322376.db2.gz AGUZJTPISSEBRL-DUWGPSABSA-N 0 1 270.829 3.774 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H](C)[C@H]1C ZINC000532971504 330323759 /nfs/dbraw/zinc/32/37/59/330323759.db2.gz JONCEEVILKBAHN-DGCLKSJQSA-N 0 1 294.826 3.707 20 0 CHADMN C[C@H]1CCC[C@H](N(C)Cc2cc(C(C)(C)C)on2)C1 ZINC000580485170 330325421 /nfs/dbraw/zinc/32/54/21/330325421.db2.gz RWUIFWCOOMXLPV-JSGCOSHPSA-N 0 1 264.413 3.983 20 0 CHADMN CC(C)c1cnc(CN[C@@H]2C[C@H]2C2CCC2)s1 ZINC000424206986 330327772 /nfs/dbraw/zinc/32/77/72/330327772.db2.gz XAWLYTDTMOITQG-NWDGAFQWSA-N 0 1 250.411 3.545 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CCCC1CCCC1 ZINC000424254929 330332323 /nfs/dbraw/zinc/33/23/23/330332323.db2.gz HJFMLXINOBNTSY-HNNXBMFYSA-N 0 1 267.413 3.676 20 0 CHADMN CCC(C)(C)CC[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000424262616 330332659 /nfs/dbraw/zinc/33/26/59/330332659.db2.gz QQBOFHJAQOVCNE-ZDUSSCGKSA-N 0 1 255.402 3.532 20 0 CHADMN C[C@H]1C[C@H](CC[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])C[C@@H](C)C1 ZINC000424270492 330333129 /nfs/dbraw/zinc/33/31/29/330333129.db2.gz NPHIYNFAAPERNG-DGADGQDISA-N 0 1 281.440 3.634 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1 ZINC000424272348 330333251 /nfs/dbraw/zinc/33/32/51/330333251.db2.gz QJVHIHIQALWOHN-WMLDXEAASA-N 0 1 289.419 3.570 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc(C)c(C)cc2C)on1 ZINC000044985994 330334567 /nfs/dbraw/zinc/33/45/67/330334567.db2.gz DUAPLGNYNAJPPG-CQSZACIVSA-N 0 1 258.365 3.759 20 0 CHADMN COc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2F)c(Cl)c1 ZINC000424349904 330345279 /nfs/dbraw/zinc/34/52/79/330345279.db2.gz NRBMAQBPEUDSJO-QCZZGDTMSA-N 0 1 271.763 3.890 20 0 CHADMN CCS[C@H](c1nc(C2(N)CCCCC2)no1)C(C)C ZINC000424351836 330345590 /nfs/dbraw/zinc/34/55/90/330345590.db2.gz ZWDBZEKTMWFHEP-NSHDSACASA-N 0 1 283.441 3.638 20 0 CHADMN Oc1cccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 ZINC000107793445 330351248 /nfs/dbraw/zinc/35/12/48/330351248.db2.gz LOIRGHKFFJHNIT-UHFFFAOYSA-N 0 1 278.233 3.954 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)[C@@H]1C(=O)[O-] ZINC000424425865 330351610 /nfs/dbraw/zinc/35/16/10/330351610.db2.gz ZYNDUVZOXTZFPG-GUYCJALGSA-N 0 1 299.370 3.632 20 0 CHADMN Cc1ccc(NCc2ccc3nc[nH]c3c2)cc1F ZINC000533212695 330352988 /nfs/dbraw/zinc/35/29/88/330352988.db2.gz YHNZSWRDJWFUQV-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N1C2CCC1CC2 ZINC000533237282 330354485 /nfs/dbraw/zinc/35/44/85/330354485.db2.gz LKLKBWNPSIIBQO-LMWSTFAQSA-N 0 1 292.810 3.602 20 0 CHADMN C[C@H](N(C)Cc1ccn(-c2ccc(F)cc2)n1)C(C)(C)C ZINC000533249872 330355295 /nfs/dbraw/zinc/35/52/95/330355295.db2.gz CRKFAWAMDQUONW-ZDUSSCGKSA-N 0 1 289.398 3.878 20 0 CHADMN C[C@@H]1CCC[C@H](C)N(CC(=O)Nc2ccccc2Cl)C1 ZINC000533292577 330356301 /nfs/dbraw/zinc/35/63/01/330356301.db2.gz AGTLHRXGDAFUKO-OLZOCXBDSA-N 0 1 294.826 3.789 20 0 CHADMN C[C@H](c1ccccc1F)N(C)CCCC(=O)OC(C)(C)C ZINC000533312342 330357091 /nfs/dbraw/zinc/35/70/91/330357091.db2.gz ZEHQVULJRBNQAS-CYBMUJFWSA-N 0 1 295.398 3.940 20 0 CHADMN CC(C)c1ccc(CNCc2cnn(C(C)C)c2)cc1 ZINC000226242434 330362857 /nfs/dbraw/zinc/36/28/57/330362857.db2.gz RYSSODAOVKNEEJ-UHFFFAOYSA-N 0 1 271.408 3.877 20 0 CHADMN Cc1cnc(CN2CCC[C@@]2(C)Cc2cccc(F)c2)nc1 ZINC000520805367 330369410 /nfs/dbraw/zinc/36/94/10/330369410.db2.gz ZGVDZJMKGWQDTI-SFHVURJKSA-N 0 1 299.393 3.521 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N(C)CCC1CCCCC1 ZINC000130576181 330370184 /nfs/dbraw/zinc/37/01/84/330370184.db2.gz HRAKMRQWOQJWKO-UHFFFAOYSA-N 0 1 291.439 3.884 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1Cl ZINC000087761487 330374334 /nfs/dbraw/zinc/37/43/34/330374334.db2.gz PBCMTDSLLHELIG-SECBINFHSA-N 0 1 290.190 3.679 20 0 CHADMN COc1cccc([C@H]2CN(CCC(C)(C)C)CCO2)c1 ZINC000119448201 330374403 /nfs/dbraw/zinc/37/44/03/330374403.db2.gz QPKBEJCYQMMCLP-MRXNPFEDSA-N 0 1 277.408 3.505 20 0 CHADMN Cn1cccc1[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000057622494 330377104 /nfs/dbraw/zinc/37/71/04/330377104.db2.gz OJMYYMYVEIHOQO-MRXNPFEDSA-N 0 1 258.340 3.501 20 0 CHADMN Cn1cccc1[C@H]1CCCN1Cc1ccccc1F ZINC000057622552 330377177 /nfs/dbraw/zinc/37/71/77/330377177.db2.gz YYBMMLONGXTHDA-MRXNPFEDSA-N 0 1 258.340 3.501 20 0 CHADMN Cc1csc(CN2CCC3(CCCC3)CC2)n1 ZINC000088601118 330377830 /nfs/dbraw/zinc/37/78/30/330377830.db2.gz MBYHMUJMPVJOAM-UHFFFAOYSA-N 0 1 250.411 3.608 20 0 CHADMN c1ccc2cc(CNCc3cccc4c3OCO4)ccc2c1 ZINC000058065417 330381396 /nfs/dbraw/zinc/38/13/96/330381396.db2.gz LWNUBBCESQCIFX-UHFFFAOYSA-N 0 1 291.350 3.858 20 0 CHADMN Cc1cc(-c2noc(CN3CCCCCC3)n2)ccc1F ZINC000120075498 330385372 /nfs/dbraw/zinc/38/53/72/330385372.db2.gz OMMSBBKZQZDHPF-UHFFFAOYSA-N 0 1 289.354 3.560 20 0 CHADMN CC(C)(C)c1csc(CN2CCCC2(C)C)n1 ZINC000120176505 330386051 /nfs/dbraw/zinc/38/60/51/330386051.db2.gz NEMKZSVXUPUSGJ-UHFFFAOYSA-N 0 1 252.427 3.815 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC000089575403 330386073 /nfs/dbraw/zinc/38/60/73/330386073.db2.gz UJIFRDFHKQZEQF-OAHLLOKOSA-N 0 1 267.413 3.534 20 0 CHADMN COC(=O)c1cc(CN[C@@H](C)c2ccc(C)cc2)c(C)o1 ZINC000537028163 330387062 /nfs/dbraw/zinc/38/70/62/330387062.db2.gz KAKUCQZKSJSGKN-LBPRGKRZSA-N 0 1 287.359 3.534 20 0 CHADMN CCC[C@H]1CCCN(CC(=O)Nc2c(C)cccc2C)C1 ZINC000120854596 330393051 /nfs/dbraw/zinc/39/30/51/330393051.db2.gz PXVRNENCRVWINY-INIZCTEOSA-N 0 1 288.435 3.754 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1ncc(-c2cccs2)o1 ZINC000091097585 330398850 /nfs/dbraw/zinc/39/88/50/330398850.db2.gz FZDXBXATKKOGFU-NSHDSACASA-N 0 1 296.461 3.977 20 0 CHADMN Fc1ccc(OC2CCN(Cc3ccsc3)CC2)cc1 ZINC000092661133 330412126 /nfs/dbraw/zinc/41/21/26/330412126.db2.gz YHPPUSBPCGOSSI-UHFFFAOYSA-N 0 1 291.391 3.931 20 0 CHADMN CCOc1ccc(Cl)cc1[C@@H](C)NC1(COC)CC1 ZINC000537450273 330437391 /nfs/dbraw/zinc/43/73/91/330437391.db2.gz ONRPNNLOLDFEHQ-LLVKDONJSA-N 0 1 283.799 3.568 20 0 CHADMN Cc1nc(CN[C@H](CC(C)C)c2cccs2)[nH]c1C ZINC000515339840 330475294 /nfs/dbraw/zinc/47/52/94/330475294.db2.gz XNSZCCVFUWGSRG-CYBMUJFWSA-N 0 1 277.437 3.965 20 0 CHADMN C[C@@H](c1cccc(F)c1)N1CCN(c2ccccc2)CC1 ZINC000515782085 330483228 /nfs/dbraw/zinc/48/32/28/330483228.db2.gz SOPBDLBXBCFQTP-HNNXBMFYSA-N 0 1 284.378 3.709 20 0 CHADMN CCc1nc(C)c(CN[C@H](CC)c2cccc(OC)c2)o1 ZINC000426322527 330504158 /nfs/dbraw/zinc/50/41/58/330504158.db2.gz JTFJRTMHJVUCJZ-OAHLLOKOSA-N 0 1 288.391 3.795 20 0 CHADMN Cc1nc(CN(C2CCC2)C2CCC2)c(C)s1 ZINC000429122388 330538713 /nfs/dbraw/zinc/53/87/13/330538713.db2.gz PFFCVYUHYYANSE-UHFFFAOYSA-N 0 1 250.411 3.667 20 0 CHADMN CC[C@@H](N[C@@H](CO)CC(F)F)c1cccc(Cl)c1F ZINC000429455311 330547301 /nfs/dbraw/zinc/54/73/01/330547301.db2.gz VDDHHMWDFKEICE-LDYMZIIASA-N 0 1 295.732 3.536 20 0 CHADMN CCCCc1nc(CN[C@H]2CCCC[C@@H]2OC)cs1 ZINC000429516290 330548107 /nfs/dbraw/zinc/54/81/07/330548107.db2.gz CZMPRDPHPLZSNA-KBPBESRZSA-N 0 1 282.453 3.533 20 0 CHADMN CC(C)(NCc1ccc(-c2cc[nH]n2)o1)c1ccccc1 ZINC000433340588 330626731 /nfs/dbraw/zinc/62/67/31/330626731.db2.gz DZYCHEXEOILEJB-UHFFFAOYSA-N 0 1 281.359 3.695 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)c2ccc(C)cc2C)c1 ZINC000436651303 330682306 /nfs/dbraw/zinc/68/23/06/330682306.db2.gz DQIMSMASIOKMNE-UHFFFAOYSA-N 0 1 297.354 3.854 20 0 CHADMN CCCN(CCC)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000436748138 330684025 /nfs/dbraw/zinc/68/40/25/330684025.db2.gz QMDQVLGUQNSTRV-UHFFFAOYSA-N 0 1 290.190 3.961 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)c2cc(C)c(C)s2)c1 ZINC000436868169 330687145 /nfs/dbraw/zinc/68/71/45/330687145.db2.gz GVJQIYLFZMRZND-UHFFFAOYSA-N 0 1 289.356 3.525 20 0 CHADMN Cc1ccccc1[C@@H](C)N(C)C(=O)c1c(O)cccc1F ZINC000436945695 330689575 /nfs/dbraw/zinc/68/95/75/330689575.db2.gz PWJKWHJKYGKQAV-GFCCVEGCSA-N 0 1 287.334 3.673 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H]1CCc2c1cccc2F ZINC000437075609 330692359 /nfs/dbraw/zinc/69/23/59/330692359.db2.gz JLHRKZXVQYZVJS-BDJLRTHQSA-N 0 1 286.350 3.567 20 0 CHADMN COCC1(C)CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000437788827 330708685 /nfs/dbraw/zinc/70/86/85/330708685.db2.gz PCVKBVTVOANCDF-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN Cc1sc(NC(=O)CN2C[C@@H](C)C[C@H](C)C2)c(C)c1C ZINC000441169052 330761931 /nfs/dbraw/zinc/76/19/31/330761931.db2.gz BFGOUNWXGNLOSD-QWRGUYRKSA-N 0 1 294.464 3.590 20 0 CHADMN Cc1ccc(C)c(CNCc2ccc3c(n2)CCCC3)c1 ZINC000444013630 330809343 /nfs/dbraw/zinc/80/93/43/330809343.db2.gz VTMKCTXBBWGCJZ-UHFFFAOYSA-N 0 1 280.415 3.867 20 0 CHADMN CC[C@@H](N[C@H](CO)c1cccc(F)c1)c1cccc(F)c1 ZINC000446926608 330858134 /nfs/dbraw/zinc/85/81/34/330858134.db2.gz ZJLJCFOEBVZZQH-IAGOWNOFSA-N 0 1 291.341 3.739 20 0 CHADMN COC(=O)c1coc([C@H](C)NCc2ccc(C)cc2C)c1 ZINC000447545146 330869464 /nfs/dbraw/zinc/86/94/64/330869464.db2.gz XMJUATKWJLQNPJ-ZDUSSCGKSA-N 0 1 287.359 3.534 20 0 CHADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@H]2CCC[C@@H]2CCC(C)C)n1 ZINC000447877107 330879199 /nfs/dbraw/zinc/87/91/99/330879199.db2.gz CPJPTVCHPBKDLQ-ZNMIVQPWSA-N 0 1 291.439 3.746 20 0 CHADMN C(=C/c1nc(-c2ccn3cncc3c2)no1)\c1cccs1 ZINC000447961547 330881472 /nfs/dbraw/zinc/88/14/72/330881472.db2.gz CBDWDEVCODKQGN-ONEGZZNKSA-N 0 1 294.339 3.616 20 0 CHADMN CCOCc1ccccc1CNCc1cc2cccnc2o1 ZINC000449068429 330896923 /nfs/dbraw/zinc/89/69/23/330896923.db2.gz BMJLPVQBDTYDAC-UHFFFAOYSA-N 0 1 296.370 3.654 20 0 CHADMN CCOc1cccc(CNCc2ccnn2C2CCCC2)c1 ZINC000449083976 330897897 /nfs/dbraw/zinc/89/78/97/330897897.db2.gz VYNBBEXAAASRRU-UHFFFAOYSA-N 0 1 299.418 3.687 20 0 CHADMN CC(C)COC[C@@H](N[C@@H](C)Cc1ccoc1)c1ccco1 ZINC000449108552 330899491 /nfs/dbraw/zinc/89/94/91/330899491.db2.gz RTABUQSFVPRCJH-GOEBONIOSA-N 0 1 291.391 3.807 20 0 CHADMN COc1cc(F)cc(CNC(C)(C)c2ccc(C)nc2)c1 ZINC000449243771 330909093 /nfs/dbraw/zinc/90/90/93/330909093.db2.gz NBRYNGPNKJKCEI-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN c1cc2cccc(CNCc3ccc4c(n3)CCCC4)c2o1 ZINC000449285028 330911860 /nfs/dbraw/zinc/91/18/60/330911860.db2.gz QLCWWACSDNRWNO-UHFFFAOYSA-N 0 1 292.382 3.996 20 0 CHADMN COc1cc2ccccc2cc1CN[C@H]1CCC[C@H]1F ZINC000449345528 330916632 /nfs/dbraw/zinc/91/66/32/330916632.db2.gz WGUAFXUKZBJXLL-CVEARBPZSA-N 0 1 273.351 3.829 20 0 CHADMN Fc1cc(Br)cc(CN[C@@H]2CCC[C@@H]2F)c1 ZINC000449346271 330916875 /nfs/dbraw/zinc/91/68/75/330916875.db2.gz YTJFBSGMHZHHKH-NWDGAFQWSA-N 0 1 290.151 3.568 20 0 CHADMN C[C@@H]1C[C@@H](NCc2ccccc2N(C)C)c2ccccc2O1 ZINC000449430484 330925024 /nfs/dbraw/zinc/92/50/24/330925024.db2.gz ZZHVNLGUIAEJSD-RHSMWYFYSA-N 0 1 296.414 3.755 20 0 CHADMN Cc1ccc(-c2ncc(CN3CCC(CF)CC3)s2)o1 ZINC000449462792 330927634 /nfs/dbraw/zinc/92/76/34/330927634.db2.gz VWWZAKHLYZYJIA-UHFFFAOYSA-N 0 1 294.395 3.893 20 0 CHADMN CC/C=C/CNCc1ccc(Sc2ccccn2)o1 ZINC000449464881 330927809 /nfs/dbraw/zinc/92/78/09/330927809.db2.gz ZWZYIFZXLDUPJK-HWKANZROSA-N 0 1 274.389 3.882 20 0 CHADMN CC(C)n1cc(CN[C@H]2CCCN(C)c3ccccc32)cn1 ZINC000449648999 330941839 /nfs/dbraw/zinc/94/18/39/330941839.db2.gz HYIXOKQLMUWOPI-KRWDZBQOSA-N 0 1 298.434 3.525 20 0 CHADMN CN1CCC[C@@H](NCc2ccc(Cl)o2)c2ccccc21 ZINC000449650667 330941961 /nfs/dbraw/zinc/94/19/61/330941961.db2.gz LQXYPMHQFBLOMR-CQSZACIVSA-N 0 1 290.794 3.994 20 0 CHADMN c1nc(C2CCCC2)sc1CNc1ccc2c(n1)CCC2 ZINC000449662173 330942841 /nfs/dbraw/zinc/94/28/41/330942841.db2.gz FNTVUQQXNKYVRG-UHFFFAOYSA-N 0 1 299.443 3.718 20 0 CHADMN Cc1cccc(CN[C@@H](c2ncccc2C)C(C)C)n1 ZINC000450571369 330987341 /nfs/dbraw/zinc/98/73/41/330987341.db2.gz QLALFRFEYHUBOU-MRXNPFEDSA-N 0 1 269.392 3.580 20 0 CHADMN CCCC[C@H](N[C@@H](C)c1csnn1)C1CCC1 ZINC000450729905 330996508 /nfs/dbraw/zinc/99/65/08/330996508.db2.gz USFSXXSGVHBZKT-JQWIXIFHSA-N 0 1 253.415 3.548 20 0 CHADMN C[C@@H](NCCc1c(Cl)cccc1Cl)c1ccon1 ZINC000450747279 330997680 /nfs/dbraw/zinc/99/76/80/330997680.db2.gz SYFCUCXJEMAJKU-SECBINFHSA-N 0 1 285.174 3.875 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000450814938 331000853 /nfs/dbraw/zinc/00/08/53/331000853.db2.gz ZYEGZDYLQXGDOD-YPMHNXCESA-N 0 1 279.453 3.816 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1N(C)Cc1nnc(C2CC2)s1 ZINC000450814938 331000854 /nfs/dbraw/zinc/00/08/54/331000854.db2.gz ZYEGZDYLQXGDOD-YPMHNXCESA-N 0 1 279.453 3.816 20 0 CHADMN CCCc1ncc(CNc2ccnc3cc(F)ccc32)o1 ZINC000450850444 331002834 /nfs/dbraw/zinc/00/28/34/331002834.db2.gz XLJISTHKJIXYOL-UHFFFAOYSA-N 0 1 285.322 3.927 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)N([C@@H](C)c3csnn3)C2)cc1 ZINC000450873357 331004190 /nfs/dbraw/zinc/00/41/90/331004190.db2.gz JXWSSOVZDVMPRL-KCQAQPDRSA-N 0 1 287.432 3.786 20 0 CHADMN OC[C@@H](NCC1=CCCCC1)c1cccc(Cl)c1F ZINC000450910316 331006628 /nfs/dbraw/zinc/00/66/28/331006628.db2.gz UYAJBDKZIGAIHU-CQSZACIVSA-N 0 1 283.774 3.603 20 0 CHADMN CCCCO[C@@H]1C[C@H](NCc2nccn2C(C)C)C1(C)C ZINC000450968460 331009211 /nfs/dbraw/zinc/00/92/11/331009211.db2.gz KFGOPCZFEWHGCI-LSDHHAIUSA-N 0 1 293.455 3.537 20 0 CHADMN Cc1ccc2[nH]c([C@@H]3CCCN3C[C@H]3CC[C@H](C)O3)nc2c1 ZINC000451020458 331012074 /nfs/dbraw/zinc/01/20/74/331012074.db2.gz ZYHZSFUSXVLDLP-VBQJREDUSA-N 0 1 299.418 3.576 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C[C@H]3CC[C@H](C)O3)[nH]c2c1 ZINC000451020458 331012075 /nfs/dbraw/zinc/01/20/75/331012075.db2.gz ZYHZSFUSXVLDLP-VBQJREDUSA-N 0 1 299.418 3.576 20 0 CHADMN COc1cc(CN2CCCO[C@H](C(C)C)C2)ccc1Cl ZINC000451076177 331015117 /nfs/dbraw/zinc/01/51/17/331015117.db2.gz FTGJOAGSMQVJTK-INIZCTEOSA-N 0 1 297.826 3.596 20 0 CHADMN CCCc1noc(CN2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)n1 ZINC000451181799 331019105 /nfs/dbraw/zinc/01/91/05/331019105.db2.gz IHQYHRGCTDMBNN-IIAWOOMASA-N 0 1 299.418 3.789 20 0 CHADMN CC(C)c1nnc(C[N@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)[nH]1 ZINC000451188503 331019663 /nfs/dbraw/zinc/01/96/63/331019663.db2.gz QITRLDHUCJTGAO-IJEWVQPXSA-N 0 1 298.434 3.695 20 0 CHADMN CC(C)c1nnc(CN2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)[nH]1 ZINC000451188503 331019664 /nfs/dbraw/zinc/01/96/64/331019664.db2.gz QITRLDHUCJTGAO-IJEWVQPXSA-N 0 1 298.434 3.695 20 0 CHADMN CC(C)c1noc(CN2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)n1 ZINC000451192451 331019729 /nfs/dbraw/zinc/01/97/29/331019729.db2.gz WCODJIVGNBYIBO-IIAWOOMASA-N 0 1 299.418 3.960 20 0 CHADMN CCC[C@@H](NCc1ncn(-c2ccccc2)n1)C(C)(C)C ZINC000451417508 331028600 /nfs/dbraw/zinc/02/86/00/331028600.db2.gz BUEBYZYXNVMDRN-OAHLLOKOSA-N 0 1 286.423 3.572 20 0 CHADMN CC(C)O[C@@H]1C[C@@H](NCc2nc3ccccc3o2)C1(C)C ZINC000451502997 331031769 /nfs/dbraw/zinc/03/17/69/331031769.db2.gz QLBXJOPORBYULY-HUUCEWRRSA-N 0 1 288.391 3.510 20 0 CHADMN COc1cc(CN2CC[C@@H](OC)C(C)(C)C2)ccc1Cl ZINC000451561840 331034498 /nfs/dbraw/zinc/03/44/98/331034498.db2.gz YKOLZSWZNZGLKB-OAHLLOKOSA-N 0 1 297.826 3.596 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000451582682 331035238 /nfs/dbraw/zinc/03/52/38/331035238.db2.gz VJOKWELWCQSRIM-BMFZPTHFSA-N 0 1 297.402 3.920 20 0 CHADMN CC(C)c1noc([C@H](C)N2CCCc3ccccc3CC2)n1 ZINC000451712885 331039898 /nfs/dbraw/zinc/03/98/98/331039898.db2.gz RFRSQCYTKVZEOY-AWEZNQCLSA-N 0 1 299.418 3.745 20 0 CHADMN O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1cc(Cl)c(O)cc1F ZINC000451741398 331040848 /nfs/dbraw/zinc/04/08/48/331040848.db2.gz CDRQFFJSVMIRFI-VGMNWLOBSA-N 0 1 283.730 3.559 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CC[C@@H](O)CC(C)(C)C1 ZINC000451804144 331042863 /nfs/dbraw/zinc/04/28/63/331042863.db2.gz RRWCEXHGNRAHJE-DGCLKSJQSA-N 0 1 283.362 3.509 20 0 CHADMN O[C@@H](CC1CCCC1)CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451859337 331045206 /nfs/dbraw/zinc/04/52/06/331045206.db2.gz SRDDGCOVDSKVLX-DOTOQJQBSA-N 0 1 289.419 3.748 20 0 CHADMN COCCSCCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451862514 331045225 /nfs/dbraw/zinc/04/52/25/331045225.db2.gz VNRCYNYEAKQJJM-HNNXBMFYSA-N 0 1 295.448 3.576 20 0 CHADMN c1ccc2[nH]c([C@@H]3CCCCN3CC[C@H]3CCCO3)nc2c1 ZINC000451876172 331045717 /nfs/dbraw/zinc/04/57/17/331045717.db2.gz DYCCLYIVAUPKCL-PBHICJAKSA-N 0 1 299.418 3.659 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC[C@@]2(CCOC2)C1 ZINC000451895005 331046493 /nfs/dbraw/zinc/04/64/93/331046493.db2.gz DGROQKGDEZDZQS-BLLLJJGKSA-N 0 1 281.346 3.528 20 0 CHADMN CC[C@H](F)CN[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451919285 331047288 /nfs/dbraw/zinc/04/72/88/331047288.db2.gz ZVBPSQUQPCDQBO-STQMWFEESA-N 0 1 294.197 3.539 20 0 CHADMN CCC(=O)CCCN1CCC[C@H]1c1ccc(F)cc1F ZINC000451972001 331049111 /nfs/dbraw/zinc/04/91/11/331049111.db2.gz NULCGQSJMZJXSD-INIZCTEOSA-N 0 1 281.346 3.861 20 0 CHADMN C[C@@H]1CCC(C)(C)N1Cc1nc(-c2cccs2)no1 ZINC000452004659 331050045 /nfs/dbraw/zinc/05/00/45/331050045.db2.gz KMNPXGNGRDLTNT-SNVBAGLBSA-N 0 1 277.393 3.561 20 0 CHADMN CC(C)N(Cc1nccn1C(C)C)C1CC(C)(C)C1 ZINC000452107992 331054344 /nfs/dbraw/zinc/05/43/44/331054344.db2.gz UOCVLUDQFRIHSK-UHFFFAOYSA-N 0 1 263.429 3.863 20 0 CHADMN CC(C)C[C@@]1(C)CCCN1C(=O)c1[nH]nc2ccccc21 ZINC000452512250 331067029 /nfs/dbraw/zinc/06/70/29/331067029.db2.gz OPBREMUEVLTMKQ-QGZVFWFLSA-N 0 1 285.391 3.604 20 0 CHADMN CC[C@@H](N[C@H](C)c1cccc(O)c1)c1c(C)noc1C ZINC000194938644 331080136 /nfs/dbraw/zinc/08/01/36/331080136.db2.gz XAMMOGAGSZMUMD-MEBBXXQBSA-N 0 1 274.364 3.799 20 0 CHADMN CC[C@H](C)N[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000453061960 331085541 /nfs/dbraw/zinc/08/55/41/331085541.db2.gz UBZRKXBLMMVNNL-ZBEGNZNMSA-N 0 1 276.330 3.837 20 0 CHADMN CC[C@@H](C)N[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000453061957 331085574 /nfs/dbraw/zinc/08/55/74/331085574.db2.gz UBZRKXBLMMVNNL-BDJLRTHQSA-N 0 1 276.330 3.837 20 0 CHADMN C[C@@H]1C[C@@H](N[C@@H](c2cccs2)C2CC2)c2nccn21 ZINC000453082608 331087424 /nfs/dbraw/zinc/08/74/24/331087424.db2.gz UYRKCVOEQGTMQQ-MPKXVKKWSA-N 0 1 273.405 3.691 20 0 CHADMN COc1ccc(CN[C@H](C)c2csc(C)c2)cc1O ZINC000453084807 331087647 /nfs/dbraw/zinc/08/76/47/331087647.db2.gz GEVKTAIUJUKEEK-LLVKDONJSA-N 0 1 277.389 3.622 20 0 CHADMN C[C@H](NCc1ccc(C(C)(C)C)cc1)c1ccncn1 ZINC000453093865 331088503 /nfs/dbraw/zinc/08/85/03/331088503.db2.gz SGXMFEFJPWXDGE-ZDUSSCGKSA-N 0 1 269.392 3.625 20 0 CHADMN CC(C)C[C@H](N[C@H]1CCn2ccnc21)c1cccs1 ZINC000453095370 331088696 /nfs/dbraw/zinc/08/86/96/331088696.db2.gz UIVISFUSIXKGQL-STQMWFEESA-N 0 1 275.421 3.766 20 0 CHADMN CC[C@H](N[C@@H](COC)c1ccc(F)cc1)c1ccncc1 ZINC000453150960 331094582 /nfs/dbraw/zinc/09/45/82/331094582.db2.gz NDPPEUADAKANCY-IRXDYDNUSA-N 0 1 288.366 3.649 20 0 CHADMN CC[C@H](N[C@H]1CCOc2ccc(OC)cc21)c1ccncc1 ZINC000453196399 331100072 /nfs/dbraw/zinc/10/00/72/331100072.db2.gz LNVCRJQOXFFOCP-IRXDYDNUSA-N 0 1 298.386 3.655 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H](C)c1csc(C)c1 ZINC000453207399 331101498 /nfs/dbraw/zinc/10/14/98/331101498.db2.gz ALQPUSZQJVVICQ-VXGBXAGGSA-N 0 1 276.405 3.872 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2c(F)cccc21)c1ccn(C)n1 ZINC000453222725 331103214 /nfs/dbraw/zinc/10/32/14/331103214.db2.gz ANZYFIUBVGOACL-JKSUJKDBSA-N 0 1 287.382 3.678 20 0 CHADMN C[C@H](NCCC(C)(F)F)c1ncc(-c2ccccc2)n1C ZINC000453226066 331103794 /nfs/dbraw/zinc/10/37/94/331103794.db2.gz WPAQRWYGVLSZBS-LBPRGKRZSA-N 0 1 293.361 3.783 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1cc(-c2ccccc2)nn1C ZINC000453231590 331104541 /nfs/dbraw/zinc/10/45/41/331104541.db2.gz SWDXJIUCAWMPIN-VHDGCEQUSA-N 0 1 287.382 3.628 20 0 CHADMN Cc1cc([C@H](C)NCC2(c3ccc(C)cc3C)CC2)no1 ZINC000453250938 331107715 /nfs/dbraw/zinc/10/77/15/331107715.db2.gz NCGJMJASJHZCFI-HNNXBMFYSA-N 0 1 284.403 3.982 20 0 CHADMN CCCC[C@H](NCc1ccnc(OC)n1)c1ccccc1 ZINC000453250966 331107734 /nfs/dbraw/zinc/10/77/34/331107734.db2.gz NDKQYDQDOQJIDR-INIZCTEOSA-N 0 1 285.391 3.506 20 0 CHADMN Cc1cc(CN[C@@H](CC(C)C)c2ccccn2)ccn1 ZINC000453293711 331112113 /nfs/dbraw/zinc/11/21/13/331112113.db2.gz PRSVDXGOPHYPSI-KRWDZBQOSA-N 0 1 269.392 3.662 20 0 CHADMN CC/C=C/CN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000453311884 331114814 /nfs/dbraw/zinc/11/48/14/331114814.db2.gz GVMKPLZWPVFYGJ-ZPMKCOPCSA-N 0 1 250.411 3.639 20 0 CHADMN CC/C=C/CN[C@H](C)c1nc2c(s1)CCCC2 ZINC000453311883 331114834 /nfs/dbraw/zinc/11/48/34/331114834.db2.gz GVMKPLZWPVFYGJ-TZOMUSMUSA-N 0 1 250.411 3.639 20 0 CHADMN CO[C@](C)(CN[C@@H](C)c1csc(C)n1)c1ccccc1 ZINC000453317066 331115751 /nfs/dbraw/zinc/11/57/51/331115751.db2.gz ILBKSNQEMUAWNB-BLLLJJGKSA-N 0 1 290.432 3.664 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1cc2c(s1)CCC2 ZINC000453338299 331118779 /nfs/dbraw/zinc/11/87/79/331118779.db2.gz FVPBNPHCAMPRPF-MDZLAQPJSA-N 0 1 287.432 3.790 20 0 CHADMN C[C@H](CC(C)(C)C)N[C@H](c1ncc[nH]1)c1ccccc1 ZINC000453442061 331132045 /nfs/dbraw/zinc/13/20/45/331132045.db2.gz XVIVRFVUDNLAOQ-HIFRSBDPSA-N 0 1 271.408 3.913 20 0 CHADMN CCC1CN(Cc2cnc(CCc3ccccc3)s2)C1 ZINC000453605265 331136145 /nfs/dbraw/zinc/13/61/45/331136145.db2.gz CUBBPTLTCGZNFO-UHFFFAOYSA-N 0 1 286.444 3.770 20 0 CHADMN C[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000455635257 331174444 /nfs/dbraw/zinc/17/44/44/331174444.db2.gz WTTMNILBVQPHKK-IBGZPJMESA-N 0 1 295.382 3.548 20 0 CHADMN CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CCCCC(=O)[O-] ZINC000455666154 331175092 /nfs/dbraw/zinc/17/50/92/331175092.db2.gz VSYJHZLMCBJGNS-MRXNPFEDSA-N 0 1 281.371 3.710 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C2(C3CCC3)CCC2)c1 ZINC000455997305 331182056 /nfs/dbraw/zinc/18/20/56/331182056.db2.gz PTFJJTCOAWWNLX-UHFFFAOYSA-N 0 1 287.359 3.504 20 0 CHADMN CC(C)=CCC[C@H](C)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000456062763 331183692 /nfs/dbraw/zinc/18/36/92/331183692.db2.gz ODBGDSIYHHJQGT-LBPRGKRZSA-N 0 1 285.391 3.736 20 0 CHADMN CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000456800198 331204340 /nfs/dbraw/zinc/20/43/40/331204340.db2.gz NSJYFRXYFPEPNP-UONOGXRCSA-N 0 1 297.402 3.727 20 0 CHADMN Cc1oc(C(C)C)cc1C(=O)Nc1ccc(F)c(F)c1O ZINC000457307757 331218622 /nfs/dbraw/zinc/21/86/22/331218622.db2.gz GXAYFCMRKZFVII-UHFFFAOYSA-N 0 1 295.285 3.948 20 0 CHADMN CC(C)(C)C(C)(C)C(=O)Nc1ccc(F)c(F)c1O ZINC000457311084 331218756 /nfs/dbraw/zinc/21/87/56/331218756.db2.gz JQRSRXIHPLNINE-UHFFFAOYSA-N 0 1 271.307 3.681 20 0 CHADMN CC(C)CCCCC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000457678754 331230968 /nfs/dbraw/zinc/23/09/68/331230968.db2.gz USWLBLBQFVFCTB-UHFFFAOYSA-N 0 1 286.379 3.627 20 0 CHADMN C[C@@H](CC1CCCCC1)C(=O)NCc1ccc2cncn2c1 ZINC000457982700 331238596 /nfs/dbraw/zinc/23/85/96/331238596.db2.gz ZBOCGPYHXJOJJO-AWEZNQCLSA-N 0 1 299.418 3.557 20 0 CHADMN CCC1CCC(N(Cc2cc(COC)on2)C2CC2)CC1 ZINC000459295136 331274946 /nfs/dbraw/zinc/27/49/46/331274946.db2.gz HISDQGUZLMXNRR-UHFFFAOYSA-N 0 1 292.423 3.754 20 0 CHADMN CN(CCC(F)(F)F)Cc1ccc(C2CC2)cc1 ZINC000459327742 331276468 /nfs/dbraw/zinc/27/64/68/331276468.db2.gz PELIAJNGCVRKDP-UHFFFAOYSA-N 0 1 257.299 3.948 20 0 CHADMN CCn1nncc1CN1CCCC[C@H]1c1cccc(C)c1C ZINC000459351700 331277521 /nfs/dbraw/zinc/27/75/21/331277521.db2.gz JRROZVINADATIT-SFHVURJKSA-N 0 1 298.434 3.642 20 0 CHADMN Cn1cc(Cl)cc1C[N@@H+](C)CC1CCC(F)(F)CC1 ZINC000459364228 331278343 /nfs/dbraw/zinc/27/83/43/331278343.db2.gz LMJCEFLQTYYXFC-UHFFFAOYSA-N 0 1 290.785 3.936 20 0 CHADMN Cc1cccc2nc(CNCc3ccc(C4CC4)cc3)cn21 ZINC000459409157 331280318 /nfs/dbraw/zinc/28/03/18/331280318.db2.gz XTGSVKNSYCHQRP-UHFFFAOYSA-N 0 1 291.398 3.810 20 0 CHADMN OC[C@@H](NCc1ccc(C2CC2)cc1)c1ccc(F)cc1 ZINC000459413300 331280433 /nfs/dbraw/zinc/28/04/33/331280433.db2.gz OLWBVGWTQPZHGT-GOSISDBHSA-N 0 1 285.362 3.526 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc(C2CC2)cc1 ZINC000459485934 331284452 /nfs/dbraw/zinc/28/44/52/331284452.db2.gz RMOOXZJRRDBRMO-UHFFFAOYSA-N 0 1 252.361 3.591 20 0 CHADMN Cc1cc(CNCc2cnc(C3CC3)nc2)ccc1Cl ZINC000459492517 331284744 /nfs/dbraw/zinc/28/47/44/331284744.db2.gz WQIYFGZTBWKYHK-UHFFFAOYSA-N 0 1 287.794 3.606 20 0 CHADMN Cc1cc(C)cc(C[N@@H+](C)Cc2cnc(C3CC3)nc2)c1 ZINC000459498235 331285121 /nfs/dbraw/zinc/28/51/21/331285121.db2.gz ACHPQUOOZRXUSN-UHFFFAOYSA-N 0 1 281.403 3.603 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cnc(C3CC3)nc2)c1 ZINC000459498235 331285122 /nfs/dbraw/zinc/28/51/22/331285122.db2.gz ACHPQUOOZRXUSN-UHFFFAOYSA-N 0 1 281.403 3.603 20 0 CHADMN COc1ccc(CN2CC3(C2)CCCC3)cc1OC(F)F ZINC000459565929 331288121 /nfs/dbraw/zinc/28/81/21/331288121.db2.gz UBFDOFKVPOQLSM-UHFFFAOYSA-N 0 1 297.345 3.673 20 0 CHADMN CCC1(CC)CN(Cc2cnc(-c3ccccn3)s2)C1 ZINC000459600451 331290204 /nfs/dbraw/zinc/29/02/04/331290204.db2.gz TVAWWXBTYJZZOO-UHFFFAOYSA-N 0 1 287.432 3.827 20 0 CHADMN CC(C)(C)c1ccc(CN2CC3(C2)CCCOC3)s1 ZINC000459604042 331290381 /nfs/dbraw/zinc/29/03/81/331290381.db2.gz JAUVDIVQUBLODI-UHFFFAOYSA-N 0 1 279.449 3.658 20 0 CHADMN Cc1sccc1CN1CC(COc2ccccc2)C1 ZINC000459628851 331290962 /nfs/dbraw/zinc/29/09/62/331290962.db2.gz FFFXQFJOUDJMAM-UHFFFAOYSA-N 0 1 273.401 3.567 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2csc(-c3cccs3)n2)C1 ZINC000459636931 331291473 /nfs/dbraw/zinc/29/14/73/331291473.db2.gz AJGMJAJXASZZOH-KLPPZKSPSA-N 0 1 294.445 3.529 20 0 CHADMN CC(C)(C)C1CN(Cc2cccc(O)c2Cl)C1 ZINC000459635674 331291475 /nfs/dbraw/zinc/29/14/75/331291475.db2.gz GJUSGZGMPSLLNA-UHFFFAOYSA-N 0 1 253.773 3.524 20 0 CHADMN Cc1ccc(CNCc2cccn2CCC(C)C)nc1C ZINC000459665261 331293031 /nfs/dbraw/zinc/29/30/31/331293031.db2.gz KFKKXHOFQXLSIO-UHFFFAOYSA-N 0 1 285.435 3.836 20 0 CHADMN CN(Cc1cnc([C@@H]2CCCO2)s1)C1CC(C)(C)C1 ZINC000459723771 331295855 /nfs/dbraw/zinc/29/58/55/331295855.db2.gz CUOQPECABYYPGM-ZDUSSCGKSA-N 0 1 280.437 3.615 20 0 CHADMN CCc1cnc(CN[C@H]2C[C@H](OC(C)(C)C)C2(C)C)s1 ZINC000459768143 331299648 /nfs/dbraw/zinc/29/96/48/331299648.db2.gz QEUNEHYUBLRYFV-STQMWFEESA-N 0 1 296.480 3.777 20 0 CHADMN CC[C@@H]1OCC[C@H]1N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000459775107 331300203 /nfs/dbraw/zinc/30/02/03/331300203.db2.gz LZOVHCWXXHCALI-CFVMTHIKSA-N 0 1 286.375 3.560 20 0 CHADMN C[C@H](NCCSc1ccc(Cl)cc1)c1ccn(C)n1 ZINC000459799982 331301530 /nfs/dbraw/zinc/30/15/30/331301530.db2.gz WBWMQDOPDOCGTG-NSHDSACASA-N 0 1 295.839 3.516 20 0 CHADMN Cc1c[nH]nc1CN1CC2(CCCCC2)[C@H]1C(C)C ZINC000459800608 331301542 /nfs/dbraw/zinc/30/15/42/331301542.db2.gz ZUSBWKVWRQZMLY-OAHLLOKOSA-N 0 1 261.413 3.509 20 0 CHADMN CCC[C@@H](N[C@H](C)c1nc(C2CC2)no1)C1CCC1 ZINC000459803712 331301742 /nfs/dbraw/zinc/30/17/42/331301742.db2.gz OCOLFCUWMGGMMF-ZWNOBZJWSA-N 0 1 263.385 3.566 20 0 CHADMN Cc1nc(C)c([C@H](C)[N@@H+](C)CCc2c(C)noc2C)s1 ZINC000165725476 331306382 /nfs/dbraw/zinc/30/63/82/331306382.db2.gz PWTSFKALZLWJAA-NSHDSACASA-N 0 1 293.436 3.600 20 0 CHADMN CCC(CC)(C[NH2+]Cc1nc(C)ccc1[O-])c1ccccc1 ZINC000462747498 331327232 /nfs/dbraw/zinc/32/72/32/331327232.db2.gz WCCVHHRISQHAHW-UHFFFAOYSA-N 0 1 298.430 3.943 20 0 CHADMN CC(C)[C@@H]1C[C@H](Nc2cc3c(cn2)CCCC3)CCO1 ZINC000462949915 331335797 /nfs/dbraw/zinc/33/57/97/331335797.db2.gz BHZINFFYZDPUNP-CVEARBPZSA-N 0 1 274.408 3.576 20 0 CHADMN COCC1(C[N@H+]2CC(C)(C)[C@H]2c2cccs2)CCC1 ZINC000463213235 331342370 /nfs/dbraw/zinc/34/23/70/331342370.db2.gz OAPLRGGGFSPKRW-CQSZACIVSA-N 0 1 279.449 3.948 20 0 CHADMN COCC1(C[N@H+]2CC(C)(C)[C@@H]2c2cccs2)CCC1 ZINC000463213234 331342400 /nfs/dbraw/zinc/34/24/00/331342400.db2.gz OAPLRGGGFSPKRW-AWEZNQCLSA-N 0 1 279.449 3.948 20 0 CHADMN CCN(Cc1ccc(C)cc1Cl)C[C@@H](C)OC ZINC000463420972 331347373 /nfs/dbraw/zinc/34/73/73/331347373.db2.gz FFQSOIDRDYPQLV-GFCCVEGCSA-N 0 1 255.789 3.505 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](c2ccccc2)[C@H]1C)c1ccon1 ZINC000464072538 331356199 /nfs/dbraw/zinc/35/61/99/331356199.db2.gz JFHCTFXDALSKMC-TWJWRFFLSA-N 0 1 256.349 3.517 20 0 CHADMN CCC1(CC)CN(Cc2nc3ccccc3o2)CCS1 ZINC000464588877 331363443 /nfs/dbraw/zinc/36/34/43/331363443.db2.gz TZFDJWKJXHEQRZ-UHFFFAOYSA-N 0 1 290.432 3.935 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2cccc(F)c2F)C1 ZINC000464768463 331366889 /nfs/dbraw/zinc/36/68/89/331366889.db2.gz ARZQKVGOENVWCC-HNNXBMFYSA-N 0 1 253.336 3.977 20 0 CHADMN Cc1cccc(-c2noc(CN3C[C@@H](C)CC[C@@H]3C)n2)c1 ZINC000464828075 331370061 /nfs/dbraw/zinc/37/00/61/331370061.db2.gz IZODBJZZINPZBS-KBPBESRZSA-N 0 1 285.391 3.665 20 0 CHADMN CCCCCN(CCC(=O)OC)Cc1cccc(F)c1F ZINC000464826771 331370126 /nfs/dbraw/zinc/37/01/26/331370126.db2.gz HJZRLLVTYJNBCO-UHFFFAOYSA-N 0 1 299.361 3.520 20 0 CHADMN CCC[C@]1(C)CCCN([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000464838053 331370514 /nfs/dbraw/zinc/37/05/14/331370514.db2.gz MSHFWZFEFYFIRP-MAUKXSAKSA-N 0 1 288.435 3.916 20 0 CHADMN Fc1ccccc1C=C1CCN(CCOCC2CC2)CC1 ZINC000464887454 331372689 /nfs/dbraw/zinc/37/26/89/331372689.db2.gz RDPJIAHEAOOMLX-UHFFFAOYSA-N 0 1 289.394 3.732 20 0 CHADMN CCC[C@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000466473570 331398098 /nfs/dbraw/zinc/39/80/98/331398098.db2.gz KYCDXVRDTRSNBX-AWEZNQCLSA-N 0 1 285.391 3.749 20 0 CHADMN Fc1c(Cl)cccc1CN1CCC([C@H]2CCCO2)CC1 ZINC000467203510 331412304 /nfs/dbraw/zinc/41/23/04/331412304.db2.gz AMRHJIRWHONEIG-OAHLLOKOSA-N 0 1 297.801 3.870 20 0 CHADMN Cc1ccc(-c2ncc(CNC(C)(C)CF)s2)cc1 ZINC000472145284 331530218 /nfs/dbraw/zinc/53/02/18/331530218.db2.gz DZRRMWDPESLTBP-UHFFFAOYSA-N 0 1 278.396 3.956 20 0 CHADMN CCCCOc1ccc(CNC(C)(C)CF)cc1OC ZINC000472146613 331530279 /nfs/dbraw/zinc/53/02/79/331530279.db2.gz ZJFHNONQAKBKDM-UHFFFAOYSA-N 0 1 283.387 3.712 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CC[C@@H](C)[C@@H]1C ZINC000480061786 331756367 /nfs/dbraw/zinc/75/63/67/331756367.db2.gz NWTVQEGZSAXKHS-MNOVXSKESA-N 0 1 274.339 3.617 20 0 CHADMN CC(C)=CCC[C@H](C)CCN[C@@H](C)c1nc(C)no1 ZINC000482457111 331833584 /nfs/dbraw/zinc/83/35/84/331833584.db2.gz JJKMHCAWDSBEBY-STQMWFEESA-N 0 1 265.401 3.801 20 0 CHADMN Cc1noc([C@H](C)N[C@H](C)CC(C)(C)c2ccccc2)n1 ZINC000483340562 331870284 /nfs/dbraw/zinc/87/02/84/331870284.db2.gz KXMPDDRMHOSMTA-OLZOCXBDSA-N 0 1 287.407 3.785 20 0 CHADMN Fc1ccc2c(c1)CN(c1ccnc3ccccc31)CCO2 ZINC000486473923 331938124 /nfs/dbraw/zinc/93/81/24/331938124.db2.gz WSGKVGPYDCPBTN-UHFFFAOYSA-N 0 1 294.329 3.773 20 0 CHADMN Fc1ccc2cc(CNCc3cc(F)ccc3F)[nH]c2c1 ZINC000486717508 331942911 /nfs/dbraw/zinc/94/29/11/331942911.db2.gz PTGFKCWBJCYWIM-UHFFFAOYSA-N 0 1 290.288 3.875 20 0 CHADMN Fc1ccccc1C1(NC/C=C\c2ccncc2)CC1 ZINC000487273120 331961875 /nfs/dbraw/zinc/96/18/75/331961875.db2.gz MUOXOLFMHDDZAK-ARJAWSKDSA-N 0 1 268.335 3.513 20 0 CHADMN COc1ccc(CNCc2cc(Cl)cs2)c(F)c1 ZINC000487283688 331962968 /nfs/dbraw/zinc/96/29/68/331962968.db2.gz ZEVUIPPRZZCNHM-UHFFFAOYSA-N 0 1 285.771 3.839 20 0 CHADMN Cc1cnc([C@@H](NC/C=C\c2ccncc2)C2CC2)s1 ZINC000487293624 331963713 /nfs/dbraw/zinc/96/37/13/331963713.db2.gz DHVCDSDYVFVGGS-GWQWAINWSA-N 0 1 285.416 3.601 20 0 CHADMN C[C@]12CCN(c3ccnc4cc(F)ccc43)C[C@H]1C2(F)F ZINC000488447267 332009963 /nfs/dbraw/zinc/00/99/63/332009963.db2.gz VNXNHBICYNQKGP-CABCVRRESA-N 0 1 292.304 3.855 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@H]2CCc3c2cccc3C)n[nH]1 ZINC000488456533 332011063 /nfs/dbraw/zinc/01/10/63/332011063.db2.gz BNLBKKVVXBWLKH-RBOXIYTFSA-N 0 1 298.434 3.965 20 0 CHADMN Cc1ccc(C[C@@H](C)C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000488487161 332013182 /nfs/dbraw/zinc/01/31/82/332013182.db2.gz CCBXUFNRFHIPQP-CYBMUJFWSA-N 0 1 293.370 3.689 20 0 CHADMN Cc1nccc(N2Cc3ccccc3O[C@H](C)C2)c1Cl ZINC000488786631 332025572 /nfs/dbraw/zinc/02/55/72/332025572.db2.gz USWCLESPLJHJNO-LLVKDONJSA-N 0 1 288.778 3.831 20 0 CHADMN CC(C)(C)OCCCCN1CCOc2ccc(F)cc2C1 ZINC000489150412 332042360 /nfs/dbraw/zinc/04/23/60/332042360.db2.gz OBAARGPWEXGOMH-UHFFFAOYSA-N 0 1 295.398 3.615 20 0 CHADMN CCC(CC)[C@@H](C)C(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000489197639 332043164 /nfs/dbraw/zinc/04/31/64/332043164.db2.gz XDFFSQKASWTECE-TUAOUCFPSA-N 0 1 294.443 3.568 20 0 CHADMN CCCc1nc(CN(C)C2(C)CCCC2)cs1 ZINC000489871621 332071064 /nfs/dbraw/zinc/07/10/64/332071064.db2.gz CFPBLYHBYVJXHS-UHFFFAOYSA-N 0 1 252.427 3.860 20 0 CHADMN COc1c(O)cccc1C[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000490373762 332087822 /nfs/dbraw/zinc/08/78/22/332087822.db2.gz SKLIPGLTZNXMQT-RHSMWYFYSA-N 0 1 297.398 3.779 20 0 CHADMN c1[nH]nnc1SC(c1ccccc1)c1ccccc1 ZINC000490442419 332089565 /nfs/dbraw/zinc/08/95/65/332089565.db2.gz SGIMRNXTUAGDFK-UHFFFAOYSA-N 0 1 267.357 3.686 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1CC[C@@H](C2CC2)C1 ZINC000491186409 332162291 /nfs/dbraw/zinc/16/22/91/332162291.db2.gz MDHCUBKMQWKASX-CMPLNLGQSA-N 0 1 289.404 3.591 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1CC[C@@H](C2CC2)C1 ZINC000491186412 332162314 /nfs/dbraw/zinc/16/23/14/332162314.db2.gz MDHCUBKMQWKASX-ZYHUDNBSSA-N 0 1 289.404 3.591 20 0 CHADMN Cc1ccc2nc(S[C@H]3Cc4ccccc4C3=O)[nH]c2c1 ZINC000491300258 332185417 /nfs/dbraw/zinc/18/54/17/332185417.db2.gz XRDPCRPUAUFFBH-HNNXBMFYSA-N 0 1 294.379 3.771 20 0 CHADMN Cc1ccoc1CNCc1cccc(-c2ccncc2)c1 ZINC000491402743 332205171 /nfs/dbraw/zinc/20/51/71/332205171.db2.gz VIFOYXCZVPFQTG-UHFFFAOYSA-N 0 1 278.355 3.940 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C(=O)[O-])ccc1Cl ZINC000575331978 335095047 /nfs/dbraw/zinc/09/50/47/335095047.db2.gz JZOURPILWGUUPS-FTNCPSPGSA-N 0 1 293.794 3.801 20 0 CHADMN C[C@@H](c1cccc2ccccc21)[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000575412563 335102147 /nfs/dbraw/zinc/10/21/47/335102147.db2.gz FBZOOVNJONCOOV-TYILLQQXSA-N 0 1 297.398 3.943 20 0 CHADMN CC[C@H](C)[C@H](NC(=O)C=CC1CC1)c1nc2ccccc2[nH]1 ZINC000491916322 332375138 /nfs/dbraw/zinc/37/51/38/332375138.db2.gz VIPMUWHESQPGBC-UMAATMKPSA-N 0 1 297.402 3.733 20 0 CHADMN CC(C)CCCNC(C)(C)c1cc(C(F)(F)F)on1 ZINC000492154614 332384808 /nfs/dbraw/zinc/38/48/08/332384808.db2.gz UEMFTWOLCUUJEJ-UHFFFAOYSA-N 0 1 278.318 3.954 20 0 CHADMN CC(C)(C)/C=C\C(=O)Nc1cc(Cl)c(O)cc1F ZINC000492892684 332417602 /nfs/dbraw/zinc/41/76/02/332417602.db2.gz MACNKXIRCFZNBJ-PLNGDYQASA-N 0 1 271.719 3.726 20 0 CHADMN Cc1nc2ccc(CNCc3ncccc3C)cc2s1 ZINC000494109502 332463803 /nfs/dbraw/zinc/46/38/03/332463803.db2.gz UMNRNTBAXAJQSE-UHFFFAOYSA-N 0 1 283.400 3.598 20 0 CHADMN C[C@@H]1OCC[C@]1(C)NCc1csc(C2CCCCC2)n1 ZINC000494206985 332466554 /nfs/dbraw/zinc/46/65/54/332466554.db2.gz AKCOGOCXKZOGLZ-LRDDRELGSA-N 0 1 294.464 3.848 20 0 CHADMN CCCc1csc(CNCCOc2ccc(C)cc2)n1 ZINC000494294878 332469818 /nfs/dbraw/zinc/46/98/18/332469818.db2.gz DPDLANKUQDRBFK-UHFFFAOYSA-N 0 1 290.432 3.573 20 0 CHADMN CCc1nc(C)c(CNCc2ccc3c(c2)CCCC3)o1 ZINC000494326438 332470499 /nfs/dbraw/zinc/47/04/99/332470499.db2.gz FSZLKKPIXMLKSV-UHFFFAOYSA-N 0 1 284.403 3.714 20 0 CHADMN COC[C@@H](N[C@H](C)CC(F)(F)F)c1ccc(Cl)cc1 ZINC000494500688 332476319 /nfs/dbraw/zinc/47/63/19/332476319.db2.gz FMQYYVXMSUTCIK-BXKDBHETSA-N 0 1 295.732 3.958 20 0 CHADMN Fc1ccc(F)c2c1CC[C@H]2NCCOC1CCCCC1 ZINC000513348652 332488064 /nfs/dbraw/zinc/48/80/64/332488064.db2.gz NSYYXPFUNBXOFV-MRXNPFEDSA-N 0 1 295.373 3.891 20 0 CHADMN Cc1ccccc1[C@@H](NCc1ccn(C)n1)C1CCCC1 ZINC000495063958 332502831 /nfs/dbraw/zinc/50/28/31/332502831.db2.gz HLYJETAHACJAMA-SFHVURJKSA-N 0 1 283.419 3.750 20 0 CHADMN CCOc1cccc(CN2CCCCC2)c1OC(F)F ZINC000092106958 334396262 /nfs/dbraw/zinc/39/62/62/334396262.db2.gz SHGDTBFIWVUOOJ-UHFFFAOYSA-N 0 1 285.334 3.673 20 0 CHADMN CCCCN(CCOC)c1ccnc2cc(F)ccc21 ZINC000500408385 332607482 /nfs/dbraw/zinc/60/74/82/332607482.db2.gz NGMUHULNPXRJCV-UHFFFAOYSA-N 0 1 276.355 3.627 20 0 CHADMN CC(C)OC[C@H](C)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000501412530 332632257 /nfs/dbraw/zinc/63/22/57/332632257.db2.gz MQMFMCXMRHWDGD-NWDGAFQWSA-N 0 1 284.469 3.905 20 0 CHADMN CCc1cc(OC)ccc1CNCc1ccccc1F ZINC000501424606 332632981 /nfs/dbraw/zinc/63/29/81/332632981.db2.gz SAJCLBSQPOVEAC-UHFFFAOYSA-N 0 1 273.351 3.687 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2c(C)cccc2C)nn1C ZINC000502430179 332658850 /nfs/dbraw/zinc/65/88/50/332658850.db2.gz JZNSKLYYBWBQIZ-HUUCEWRRSA-N 0 1 271.408 3.757 20 0 CHADMN CC1(C)CC(C(=O)Nc2cc(F)cc(Cl)c2O)C1 ZINC000516590246 332689226 /nfs/dbraw/zinc/68/92/26/332689226.db2.gz CONJUARYTVWROH-UHFFFAOYSA-N 0 1 271.719 3.559 20 0 CHADMN C[C@H](O)[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000513285832 333012415 /nfs/dbraw/zinc/01/24/15/333012415.db2.gz DUHUJEIWZLKESF-HZMBPMFUSA-N 0 1 288.218 3.729 20 0 CHADMN C[C@H](O)[C@H]1CCCCN1Cc1cc(Cl)ccc1Cl ZINC000513292489 333012706 /nfs/dbraw/zinc/01/27/06/333012706.db2.gz SKTQHMMWDVZKJH-IINYFYTJSA-N 0 1 288.218 3.729 20 0 CHADMN COc1cccc([C@@H]2CN(CC3CCCCC3)CCO2)c1 ZINC000513377326 333016176 /nfs/dbraw/zinc/01/61/76/333016176.db2.gz TZJOXTZPKPAJEE-SFHVURJKSA-N 0 1 289.419 3.649 20 0 CHADMN CCc1ccc([C@H]2CCCN(Cc3cc(C)on3)C2)cc1 ZINC000513374708 333016284 /nfs/dbraw/zinc/01/62/84/333016284.db2.gz CCLLDEQLMVOGKL-KRWDZBQOSA-N 0 1 284.403 3.925 20 0 CHADMN c1ccc2c(c1)C=C(C[N@H+]1CCCc3ccccc3C1)CO2 ZINC000513732364 333036212 /nfs/dbraw/zinc/03/62/12/333036212.db2.gz DZJPJJNQECTLJK-UHFFFAOYSA-N 0 1 291.394 3.911 20 0 CHADMN c1ccc2c(c1)C=C(CN1CCCc3ccccc3C1)CO2 ZINC000513732364 333036213 /nfs/dbraw/zinc/03/62/13/333036213.db2.gz DZJPJJNQECTLJK-UHFFFAOYSA-N 0 1 291.394 3.911 20 0 CHADMN Cc1ccccc1CNCc1ccsc1Cl ZINC000309878455 333050797 /nfs/dbraw/zinc/05/07/97/333050797.db2.gz UKHFSDQQQSLXQU-UHFFFAOYSA-N 0 1 251.782 4.000 20 0 CHADMN CC[C@H](C)N(CCO)Cc1cc(Cl)ccc1Cl ZINC000310324308 333057059 /nfs/dbraw/zinc/05/70/59/333057059.db2.gz YJVHBDKSFCONLG-JTQLQIEISA-N 0 1 276.207 3.586 20 0 CHADMN CCCc1ccc(C[N@@H+](CC)C[C@@H]2CCCO2)cc1 ZINC000514004053 333059201 /nfs/dbraw/zinc/05/92/01/333059201.db2.gz ZSUIHKSEJABBJK-KRWDZBQOSA-N 0 1 261.409 3.640 20 0 CHADMN CC[C@@H](C)C[N@@H+](CC)Cc1nc(-c2cccs2)no1 ZINC000177853300 333063919 /nfs/dbraw/zinc/06/39/19/333063919.db2.gz UZCKOQFKAXDOFO-LLVKDONJSA-N 0 1 279.409 3.666 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000177883463 333064889 /nfs/dbraw/zinc/06/48/89/333064889.db2.gz RVVHRGWALYPBIM-WDEREUQCSA-N 0 1 291.782 3.620 20 0 CHADMN CCC[C@@H](C)Sc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000178473560 333073515 /nfs/dbraw/zinc/07/35/15/333073515.db2.gz YRWNHYQBAGRIMB-SNVBAGLBSA-N 0 1 277.393 3.761 20 0 CHADMN COc1cc(CN(C)Cc2cc3ccccc3o2)ccc1O ZINC000178513104 333074417 /nfs/dbraw/zinc/07/44/17/333074417.db2.gz QYBLJCRNJLWHME-UHFFFAOYSA-N 0 1 297.354 3.779 20 0 CHADMN C[C@H](N[C@H]1CCCC[C@H]1C)c1nc(Cc2ccccc2)no1 ZINC000178637908 333076308 /nfs/dbraw/zinc/07/63/08/333076308.db2.gz MHIXTBGFVYMGDU-YCPHGPKFSA-N 0 1 299.418 3.890 20 0 CHADMN Cc1cc(-c2noc(C[C@@H]3CC[C@@H]4C[C@@H]43)n2)cc2nc[nH]c21 ZINC000516934520 333086837 /nfs/dbraw/zinc/08/68/37/333086837.db2.gz ZYXMZCLIOAXONU-MDZLAQPJSA-N 0 1 294.358 3.510 20 0 CHADMN CCCC[C@H](C)N(C)Cc1ncc(C(C)(C)C)o1 ZINC000516938871 333087202 /nfs/dbraw/zinc/08/72/02/333087202.db2.gz CMJVOSXCNLZMKT-LBPRGKRZSA-N 0 1 252.402 3.983 20 0 CHADMN CCc1cccc(CNCc2cnc(OC)c(Cl)c2)c1 ZINC000516974721 333088542 /nfs/dbraw/zinc/08/85/42/333088542.db2.gz JOBKITBLYJJLHZ-UHFFFAOYSA-N 0 1 290.794 3.596 20 0 CHADMN Cc1nc(CN2CC(C)(C)C[C@H]2C)nc2ccccc12 ZINC000517016226 333089764 /nfs/dbraw/zinc/08/97/64/333089764.db2.gz OAOFHYFBZRRBTN-GFCCVEGCSA-N 0 1 269.392 3.559 20 0 CHADMN CCOCCN([C@H](C)c1ccccc1Cl)C1CC1 ZINC000517121485 333092836 /nfs/dbraw/zinc/09/28/36/333092836.db2.gz GFMPDIZEKSIFGQ-GFCCVEGCSA-N 0 1 267.800 3.902 20 0 CHADMN FC1(CNCc2cccc(OCc3ccccc3)c2)CC1 ZINC000517547124 333102101 /nfs/dbraw/zinc/10/21/01/333102101.db2.gz PRRMYCNFXKEZGP-UHFFFAOYSA-N 0 1 285.362 3.857 20 0 CHADMN CC[C@H](N[C@H]1CCCc2c1cnn2C)c1ccccc1OC ZINC000336850309 335121327 /nfs/dbraw/zinc/12/13/27/335121327.db2.gz RCWJTDSVIXMGTM-HOTGVXAUSA-N 0 1 299.418 3.547 20 0 CHADMN C[C@@H](CCC1CC1)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000184065970 333124787 /nfs/dbraw/zinc/12/47/87/333124787.db2.gz ANQJUSFRMGSTOP-QWRGUYRKSA-N 0 1 265.401 3.596 20 0 CHADMN CC[C@@H](N[C@H](C)c1nccnc1C)c1ccc(C)cc1 ZINC000219078568 333141215 /nfs/dbraw/zinc/14/12/15/333141215.db2.gz WJWMASVQCLKXOU-GDBMZVCRSA-N 0 1 269.392 3.895 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(C)Cc1cscn1 ZINC000172996747 335125571 /nfs/dbraw/zinc/12/55/71/335125571.db2.gz OKAUGFUALCQQBV-HNNXBMFYSA-N 0 1 260.406 3.596 20 0 CHADMN Cc1cccc(NS(=O)(=O)c2c(C)cccc2F)c1C ZINC000186901449 333166364 /nfs/dbraw/zinc/16/63/64/333166364.db2.gz INOPKUGODSASNI-UHFFFAOYSA-N 0 1 293.363 3.552 20 0 CHADMN CCCc1cccc(CNCc2cccc(OC)c2OC)c1 ZINC000187135070 333168063 /nfs/dbraw/zinc/16/80/63/333168063.db2.gz CDJTVVPNSOWDCM-UHFFFAOYSA-N 0 1 299.414 3.946 20 0 CHADMN FC(F)COCCN1CCC[C@H]1c1ccccc1Cl ZINC000188809498 333174240 /nfs/dbraw/zinc/17/42/40/333174240.db2.gz BYDRLZDHJXKOIO-ZDUSSCGKSA-N 0 1 289.753 3.759 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C)n[nH]2)c(C)c1 ZINC000188875877 333175472 /nfs/dbraw/zinc/17/54/72/333175472.db2.gz RPVQTSPVXHQGNQ-AWEZNQCLSA-N 0 1 297.402 3.708 20 0 CHADMN CCc1nnc(SC/C=C/c2ccc(Cl)cc2)[nH]1 ZINC000188896192 333175679 /nfs/dbraw/zinc/17/56/79/333175679.db2.gz ANCJAEJMSROLNS-ONEGZZNKSA-N 0 1 279.796 3.826 20 0 CHADMN CCc1n[nH]c(SC/C=C/c2ccc(Cl)cc2)n1 ZINC000188896192 333175680 /nfs/dbraw/zinc/17/56/80/333175680.db2.gz ANCJAEJMSROLNS-ONEGZZNKSA-N 0 1 279.796 3.826 20 0 CHADMN FC(F)COCC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000189078120 333180186 /nfs/dbraw/zinc/18/01/86/333180186.db2.gz RSXKHXLKNIHCAQ-HNNXBMFYSA-N 0 1 283.362 3.538 20 0 CHADMN COc1ccc(F)cc1CNCc1cc(C)cc(C)c1 ZINC000189202758 333184683 /nfs/dbraw/zinc/18/46/83/333184683.db2.gz NOZSZKNDDHHICL-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN CCCN(CC)Cc1nc(-c2ccc(CC)cc2)no1 ZINC000521814359 333189136 /nfs/dbraw/zinc/18/91/36/333189136.db2.gz XIWGLXZQHXKMLN-UHFFFAOYSA-N 0 1 273.380 3.531 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](Cc1csc(C(=O)[O-])c1)C1CC1 ZINC000521887068 333195831 /nfs/dbraw/zinc/19/58/31/333195831.db2.gz YGFFQTBDJIIECD-JTQLQIEISA-N 0 1 291.372 3.765 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1Cl)N1C[C@@H](C)[C@H](CO)C1 ZINC000190880540 333211906 /nfs/dbraw/zinc/21/19/06/333211906.db2.gz JWJHCOOFHXUVPT-VWYCJHECSA-N 0 1 288.218 3.615 20 0 CHADMN CCCc1noc(CN[C@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000191361086 333218505 /nfs/dbraw/zinc/21/85/05/333218505.db2.gz UEGBTRZIISSPTO-HOTGVXAUSA-N 0 1 299.418 3.523 20 0 CHADMN CCC(CC)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000191580961 333221803 /nfs/dbraw/zinc/22/18/03/333221803.db2.gz ICPZLSTWNUWKOK-LLVKDONJSA-N 0 1 265.401 3.957 20 0 CHADMN CCC(CC)CN[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000191595719 333222000 /nfs/dbraw/zinc/22/20/00/333222000.db2.gz INTXKGHSRXIGLJ-ZDUSSCGKSA-N 0 1 287.407 3.747 20 0 CHADMN CCC(CC)CN[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000191595735 333222145 /nfs/dbraw/zinc/22/21/45/333222145.db2.gz INTXKGHSRXIGLJ-CYBMUJFWSA-N 0 1 287.407 3.747 20 0 CHADMN CCCC[C@H]1CCC[C@@H]1NCc1nc(C(C)C)no1 ZINC000191827371 333226051 /nfs/dbraw/zinc/22/60/51/333226051.db2.gz FDJPQUAIBDDYQS-STQMWFEESA-N 0 1 265.401 3.642 20 0 CHADMN Fc1cccc(CN2CCC(CC(F)(F)F)CC2)c1 ZINC000521987975 333229397 /nfs/dbraw/zinc/22/93/97/333229397.db2.gz KEGZBTFINKTYPT-UHFFFAOYSA-N 0 1 275.289 3.990 20 0 CHADMN Cc1cccc(CCN2CCc3cccc(Cl)c3C2)n1 ZINC000521997529 333229593 /nfs/dbraw/zinc/22/95/93/333229593.db2.gz LWCCFUXCHLGWRH-UHFFFAOYSA-N 0 1 286.806 3.644 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2ncccc2O)C1 ZINC000522034974 333231107 /nfs/dbraw/zinc/23/11/07/333231107.db2.gz ISJMJBIMRYCJCX-BLLLJJGKSA-N 0 1 286.350 3.509 20 0 CHADMN CC(C)(CNCc1ncc(Cl)s1)c1cccs1 ZINC000225347096 333235442 /nfs/dbraw/zinc/23/54/42/333235442.db2.gz ZNYRKIWYJCJGNN-UHFFFAOYSA-N 0 1 286.853 3.925 20 0 CHADMN CC[C@@H](C)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000192797248 333239606 /nfs/dbraw/zinc/23/96/06/333239606.db2.gz VYCGVDMJJFMGSD-GHMZBOCLSA-N 0 1 251.374 3.566 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@H]1COCc2ccccc21 ZINC000225979640 333244258 /nfs/dbraw/zinc/24/42/58/333244258.db2.gz VNUXXQHUFJDZBQ-KDOFPFPSSA-N 0 1 267.372 3.917 20 0 CHADMN COC[C@H](NCc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000193281390 333246957 /nfs/dbraw/zinc/24/69/57/333246957.db2.gz XDFDJDLDBSRTMX-INIZCTEOSA-N 0 1 293.769 3.956 20 0 CHADMN CCOCCN(CC)[C@@H](C)c1ccccc1Cl ZINC000195736709 333262948 /nfs/dbraw/zinc/26/29/48/333262948.db2.gz SPRNTECMEDBXAW-LBPRGKRZSA-N 0 1 255.789 3.759 20 0 CHADMN Cc1cnc([C@H](C)NCc2cccc3cc[nH]c32)s1 ZINC000226783417 333269249 /nfs/dbraw/zinc/26/92/49/333269249.db2.gz NKBAUDGQZGIKFD-NSHDSACASA-N 0 1 271.389 3.784 20 0 CHADMN COC(=O)[C@@H](N[C@H](CCC(C)C)C(C)(C)C)C(C)C ZINC000522386997 333285804 /nfs/dbraw/zinc/28/58/04/333285804.db2.gz RGRIIKIVINTRSL-KGLIPLIRSA-N 0 1 271.445 3.625 20 0 CHADMN CC(C)CCN(C(=O)c1c(O)cccc1F)C1CCCC1 ZINC000228860447 333298183 /nfs/dbraw/zinc/29/81/83/333298183.db2.gz OSQGWDGZMIUGBV-UHFFFAOYSA-N 0 1 293.382 3.962 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1c(C)c(C)c(C)c(C)c1C ZINC000575929265 335132632 /nfs/dbraw/zinc/13/26/32/335132632.db2.gz VAYAAWULTATWEB-UHFFFAOYSA-N 0 1 277.408 3.525 20 0 CHADMN CC[C@H](C)Sc1nc(C=Cc2ccccc2)n[nH]1 ZINC000523112934 333309651 /nfs/dbraw/zinc/30/96/51/333309651.db2.gz MWWREEXSEXKFFI-JUDLJHIGSA-N 0 1 259.378 3.866 20 0 CHADMN CCN(C(=O)c1cc(C)cc2cn[nH]c21)c1ccc(F)cc1 ZINC000523227305 333313061 /nfs/dbraw/zinc/31/30/61/333313061.db2.gz KLCNGJUEAHMJFW-UHFFFAOYSA-N 0 1 297.333 3.677 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c1cnn2C)c1csc(Cl)c1 ZINC000230407956 333317834 /nfs/dbraw/zinc/31/78/34/333317834.db2.gz AGJMJUTYZXMSCE-JOYOIKCWSA-N 0 1 295.839 3.863 20 0 CHADMN CCN(Cc1ncc(-c2ccc(F)cc2)o1)C1CCC1 ZINC000523442035 333327060 /nfs/dbraw/zinc/32/70/60/333327060.db2.gz ICSKMIQPZUDYOO-UHFFFAOYSA-N 0 1 274.339 3.855 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N1C[C@@H](C)O[C@H](CC)C1 ZINC000523442292 333327231 /nfs/dbraw/zinc/32/72/31/333327231.db2.gz VHBVYLCJXIFVHR-DAXOMENPSA-N 0 1 265.372 3.776 20 0 CHADMN C[C@@H](CC(F)(F)F)NCc1cc(Cl)ccc1F ZINC000231750551 333329062 /nfs/dbraw/zinc/32/90/62/333329062.db2.gz JKOXRURZAVZOIU-ZETCQYMHSA-N 0 1 269.669 3.910 20 0 CHADMN CC(C)=CCNCc1cc(Br)ccc1F ZINC000232613426 333339226 /nfs/dbraw/zinc/33/92/26/333339226.db2.gz NDGGENBSNHGAIP-UHFFFAOYSA-N 0 1 272.161 3.644 20 0 CHADMN CC(C)=CCNCc1ccc(Br)cc1F ZINC000232614858 333339275 /nfs/dbraw/zinc/33/92/75/333339275.db2.gz WKYPCMAJPKAFBN-UHFFFAOYSA-N 0 1 272.161 3.644 20 0 CHADMN CC[C@@H]1CN(CCCOc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000303424727 333342026 /nfs/dbraw/zinc/34/20/26/333342026.db2.gz AJXPYCPTBGANPC-UKRRQHHQSA-N 0 1 297.826 3.608 20 0 CHADMN CC[C@H]1COCCN1CCCOc1cccc2ccccc21 ZINC000523760328 333344344 /nfs/dbraw/zinc/34/43/44/333344344.db2.gz QAFTVHUMIPDLMK-KRWDZBQOSA-N 0 1 299.414 3.720 20 0 CHADMN CC[C@@H]1COCCN1Cc1ccc(C(C)(C)C)cc1 ZINC000523789194 333345418 /nfs/dbraw/zinc/34/54/18/333345418.db2.gz AZXOHTXRELFIRZ-MRXNPFEDSA-N 0 1 261.409 3.595 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cccc2cc[nH]c21 ZINC000173473324 335135343 /nfs/dbraw/zinc/13/53/43/335135343.db2.gz MPMVHSGBUHCGIH-UHFFFAOYSA-N 0 1 286.718 3.779 20 0 CHADMN Fc1ccccc1[C@H]1CN(CC2CCCCC2)CCO1 ZINC000524177300 333355385 /nfs/dbraw/zinc/35/53/85/333355385.db2.gz XJNNXMKGEUROKG-QGZVFWFLSA-N 0 1 277.383 3.779 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000234068059 333357664 /nfs/dbraw/zinc/35/76/64/333357664.db2.gz HXFFCUIPQGLXCG-LBPRGKRZSA-N 0 1 279.355 3.536 20 0 CHADMN CSc1ccc([C@H](C)N[C@H](C)c2ccnn2C)cc1 ZINC000235089715 333365793 /nfs/dbraw/zinc/36/57/93/333365793.db2.gz SDUMWQUFFJCBFH-NWDGAFQWSA-N 0 1 275.421 3.554 20 0 CHADMN Cc1ccc(C[N@@H+](CC(=O)[O-])[C@H]2CCc3ccccc32)cc1 ZINC000237719878 333381229 /nfs/dbraw/zinc/38/12/29/333381229.db2.gz UNCGWARMFZYXBE-SFHVURJKSA-N 0 1 295.382 3.569 20 0 CHADMN CCO[C@H]1C[C@H](N(C)Cc2cccc(F)c2F)C1(C)C ZINC000524894957 333392721 /nfs/dbraw/zinc/39/27/21/333392721.db2.gz DHRCDSCSRAWLGK-KBPBESRZSA-N 0 1 283.362 3.600 20 0 CHADMN Cc1ncc(CN[C@@H](CC(C)C)c2ccccc2)o1 ZINC000398072722 333431837 /nfs/dbraw/zinc/43/18/37/333431837.db2.gz OJUUDPJHKHREGS-INIZCTEOSA-N 0 1 258.365 3.860 20 0 CHADMN Cc1ccccc1CNCc1cccc(O)c1Cl ZINC000328258514 333496709 /nfs/dbraw/zinc/49/67/09/333496709.db2.gz URZYWBKVRONUJO-UHFFFAOYSA-N 0 1 261.752 3.644 20 0 CHADMN CS[C@H]1CCC[C@H]([NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000328315230 333516834 /nfs/dbraw/zinc/51/68/34/333516834.db2.gz CEOZZLXQPTUARW-RYUDHWBXSA-N 0 1 285.840 3.809 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cccc(-n3cccn3)c2)o1 ZINC000174131433 335148576 /nfs/dbraw/zinc/14/85/76/335148576.db2.gz MMEOVYPLKMSKTK-CQSZACIVSA-N 0 1 281.359 3.625 20 0 CHADMN COC(=O)c1cc(CN[C@H](c2ccccc2)C2CC2)c(C)o1 ZINC000538391231 333587886 /nfs/dbraw/zinc/58/78/86/333587886.db2.gz PPVVOCSOIHAZRA-QGZVFWFLSA-N 0 1 299.370 3.616 20 0 CHADMN CC[C@H](NCc1nc([C@@H](C)OCC(C)C)no1)C(C)(C)C ZINC000538392144 333588021 /nfs/dbraw/zinc/58/80/21/333588021.db2.gz MDMSYSORRKOXLF-OLZOCXBDSA-N 0 1 297.443 3.718 20 0 CHADMN C[C@@H]1CCC[C@H](CN[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000126153586 333591474 /nfs/dbraw/zinc/59/14/74/333591474.db2.gz AGRYMEYJQOFYFI-VYDXJSESSA-N 0 1 283.419 3.915 20 0 CHADMN Cc1cccc(CN2CCC[C@@H]2c2ccccn2)c1F ZINC000576072817 335149272 /nfs/dbraw/zinc/14/92/72/335149272.db2.gz ICMCCSIRYZIPGY-MRXNPFEDSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@@H](NCCc1ccc(F)cc1Cl)c1cscn1 ZINC000539078444 333655964 /nfs/dbraw/zinc/65/59/64/333655964.db2.gz XMVNJVKSATXETL-SECBINFHSA-N 0 1 284.787 3.829 20 0 CHADMN C[C@H](NCc1cc2ccccc2o1)c1cncs1 ZINC000539094643 333657680 /nfs/dbraw/zinc/65/76/80/333657680.db2.gz YIMQEBAPCZEFBG-JTQLQIEISA-N 0 1 258.346 3.740 20 0 CHADMN C[C@@H](N[C@@H](C)c1cscn1)[C@H]1Oc2ccccc2[C@H]1C ZINC000540221310 333721879 /nfs/dbraw/zinc/72/18/79/333721879.db2.gz UXNKZCZYNPQILO-JBBSTSQOSA-N 0 1 288.416 3.747 20 0 CHADMN CC[C@@H](NCc1cc2c(s1)CCCC2)c1nccn1C ZINC000540409828 333729054 /nfs/dbraw/zinc/72/90/54/333729054.db2.gz NEDUSMXRKYXRTK-CQSZACIVSA-N 0 1 289.448 3.601 20 0 CHADMN CCC[C@H](NCc1noc(C2CC2)n1)C1CCCCC1 ZINC000540591077 333736373 /nfs/dbraw/zinc/73/63/73/333736373.db2.gz YZLGVSXLGQTGLI-AWEZNQCLSA-N 0 1 277.412 3.786 20 0 CHADMN CCC(CC)CNC1(c2noc(C)n2)CCCCC1 ZINC000540602455 333737415 /nfs/dbraw/zinc/73/74/15/333737415.db2.gz TVDREEJXSFTYAT-UHFFFAOYSA-N 0 1 265.401 3.563 20 0 CHADMN CC(C)COC[C@@H](NC[C@H](C)C(F)(F)F)c1ccco1 ZINC000541626370 333784814 /nfs/dbraw/zinc/78/48/14/333784814.db2.gz DDGXUJXGFZGCQU-NWDGAFQWSA-N 0 1 293.329 3.781 20 0 CHADMN C[C@@H](NCC[C@H]1C[C@H](C)C[C@H](C)C1)c1ccon1 ZINC000541719145 333787685 /nfs/dbraw/zinc/78/76/85/333787685.db2.gz YUTXHPWFNUOWSC-RQJABVFESA-N 0 1 250.386 3.788 20 0 CHADMN CCCCOc1ccc(CNCc2ccoc2)cc1OC ZINC000069833023 333793558 /nfs/dbraw/zinc/79/35/58/333793558.db2.gz YGZMLONXFHERBT-UHFFFAOYSA-N 0 1 289.375 3.757 20 0 CHADMN CC(C)(C)OCCNCc1ccc(Oc2ccccc2)o1 ZINC000542798908 333841523 /nfs/dbraw/zinc/84/15/23/333841523.db2.gz DBYZPQGHLPUMCH-UHFFFAOYSA-N 0 1 289.375 3.977 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1scnc1C ZINC000071212914 333848691 /nfs/dbraw/zinc/84/86/91/333848691.db2.gz YLUABHSIBKJRSG-LLVKDONJSA-N 0 1 276.405 3.619 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3ccc(F)cc31)CO2 ZINC000130725099 333868355 /nfs/dbraw/zinc/86/83/55/333868355.db2.gz UMHDEXTVCMKFNU-SJORKVTESA-N 0 1 283.346 3.845 20 0 CHADMN C[C@@H](NCc1ncc(C2CC2)o1)[C@H](C)c1ccccc1 ZINC000543468932 333876817 /nfs/dbraw/zinc/87/68/17/333876817.db2.gz FMJAIPHAHGTMBV-QWHCGFSZSA-N 0 1 270.376 3.834 20 0 CHADMN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCc1nc(C(C)(C)C)no1 ZINC000544433001 333931077 /nfs/dbraw/zinc/93/10/77/333931077.db2.gz MZXXVECYDRJACO-HZSPNIEDSA-N 0 1 293.455 3.918 20 0 CHADMN CCC[C@H](NCc1ccnc(SC)c1)c1cccnc1 ZINC000544567460 333936175 /nfs/dbraw/zinc/93/61/75/333936175.db2.gz SKPORLBNVVDGCF-HNNXBMFYSA-N 0 1 287.432 3.830 20 0 CHADMN CC[C@H](N[C@@H]1c2ccccc2CC[C@@H]1C)c1ccn(C)n1 ZINC000544572535 333936713 /nfs/dbraw/zinc/93/67/13/333936713.db2.gz FBCWQNQQWVMRDZ-OWQGQXMQSA-N 0 1 283.419 3.784 20 0 CHADMN C[C@@H](CC(F)(F)F)NCc1cnc(-c2ccccc2)nc1 ZINC000545213001 333969685 /nfs/dbraw/zinc/96/96/85/333969685.db2.gz AKZYJGGBGXEFFJ-NSHDSACASA-N 0 1 295.308 3.574 20 0 CHADMN CCc1cccc(C)c1NC(=O)c1c(O)cccc1F ZINC000132521423 333982765 /nfs/dbraw/zinc/98/27/65/333982765.db2.gz BNGGHKINQQDCJV-UHFFFAOYSA-N 0 1 273.307 3.654 20 0 CHADMN C[C@]1(CCc2ccccc2)CC[N@H+](Cc2ncccc2[O-])C1 ZINC000564298437 334012398 /nfs/dbraw/zinc/01/23/98/334012398.db2.gz KMYPFPPPPVQPKH-IBGZPJMESA-N 0 1 296.414 3.632 20 0 CHADMN C[C@]1(CCc2ccccc2)CC[N@@H+](Cc2ncccc2[O-])C1 ZINC000564298437 334012400 /nfs/dbraw/zinc/01/24/00/334012400.db2.gz KMYPFPPPPVQPKH-IBGZPJMESA-N 0 1 296.414 3.632 20 0 CHADMN CCc1ccc(CN[C@@H]2CCc3c2cccc3C)o1 ZINC000132997232 334012906 /nfs/dbraw/zinc/01/29/06/334012906.db2.gz OWBARDFVUIEGDG-QGZVFWFLSA-N 0 1 255.361 3.928 20 0 CHADMN CCN(Cc1nc([C@@H](C)OCC(C)C)no1)[C@@H](C)C(C)C ZINC000074989273 334021854 /nfs/dbraw/zinc/02/18/54/334021854.db2.gz YTESCSKBGKWCBS-UONOGXRCSA-N 0 1 297.443 3.670 20 0 CHADMN CC(C)C[C@H]1CCN([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000074994136 334022207 /nfs/dbraw/zinc/02/22/07/334022207.db2.gz DLRMNJAVZJJUHY-QWHCGFSZSA-N 0 1 279.428 3.796 20 0 CHADMN CC1=C(c2nc(-c3ccc4[nH]cnc4c3)no2)CCC1 ZINC000546457737 334033549 /nfs/dbraw/zinc/03/35/49/334033549.db2.gz UVDRGDNXWIKEND-UHFFFAOYSA-N 0 1 266.304 3.570 20 0 CHADMN C[C@@H]1CCCC[C@H]1Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000546457328 334033654 /nfs/dbraw/zinc/03/36/54/334033654.db2.gz OTUWSWPZAVCACD-NEPJUHHUSA-N 0 1 296.374 3.982 20 0 CHADMN CCn1ccnc1CN[C@H]1c2ccccc2CCC[C@H]1C ZINC000546611546 334040157 /nfs/dbraw/zinc/04/01/57/334040157.db2.gz IKEHQMFHSSFRCS-RDTXWAMCSA-N 0 1 283.419 3.706 20 0 CHADMN CC(C)N(Cc1cc(-c2cccs2)on1)C1CC1 ZINC000075610229 334046934 /nfs/dbraw/zinc/04/69/34/334046934.db2.gz WPKOKTDZOVRPKB-UHFFFAOYSA-N 0 1 262.378 3.776 20 0 CHADMN C[C@H](NC(C)(C)c1cnn(C)c1)c1ccc(F)c(Cl)c1 ZINC000546704431 334047060 /nfs/dbraw/zinc/04/70/60/334047060.db2.gz DHGZRUDNPCVBJU-JTQLQIEISA-N 0 1 295.789 3.799 20 0 CHADMN c1coc(CNCc2ccc(OCc3ccncc3)cc2)c1 ZINC000075733889 334049729 /nfs/dbraw/zinc/04/97/29/334049729.db2.gz ZWXWIBOJGXFYKE-UHFFFAOYSA-N 0 1 294.354 3.543 20 0 CHADMN Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1C ZINC000075769474 334050779 /nfs/dbraw/zinc/05/07/79/334050779.db2.gz WDKQXYABXPSWFU-RDJZCZTQSA-N 0 1 286.419 3.506 20 0 CHADMN CCCC(CCC)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000546860303 334052083 /nfs/dbraw/zinc/05/20/83/334052083.db2.gz OQLXXYHPNKAXAZ-UHFFFAOYSA-N 0 1 291.439 3.641 20 0 CHADMN Cc1cc(CN(C[C@H]2CCCO2)C2CCC(C)CC2)no1 ZINC000075834216 334053293 /nfs/dbraw/zinc/05/32/93/334053293.db2.gz NZOSOQBUFJUCGN-QWFMPGPPSA-N 0 1 292.423 3.543 20 0 CHADMN C[C@@H](NC(=O)CN(C)C1CCC1)c1cccc2ccccc21 ZINC000075841919 334054344 /nfs/dbraw/zinc/05/43/44/334054344.db2.gz UUUPFCJUDMRSMS-CQSZACIVSA-N 0 1 296.414 3.501 20 0 CHADMN CN(Cc1cc(Br)ccc1F)C1CCC1 ZINC000075841417 334054431 /nfs/dbraw/zinc/05/44/31/334054431.db2.gz GPBRTJOFTNKERX-UHFFFAOYSA-N 0 1 272.161 3.573 20 0 CHADMN COCC(C)(C)NCc1c(Cl)cccc1Cl ZINC000076494792 334082891 /nfs/dbraw/zinc/08/28/91/334082891.db2.gz FQWFYDDBQFUWIA-UHFFFAOYSA-N 0 1 262.180 3.508 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC(C)(C)C1 ZINC000076015242 334066453 /nfs/dbraw/zinc/06/64/53/334066453.db2.gz HJKYTQARIIZQAS-CQSZACIVSA-N 0 1 288.435 3.869 20 0 CHADMN CC1(C)CCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000076015152 334066527 /nfs/dbraw/zinc/06/65/27/334066527.db2.gz JXBTVRLZGCOEIB-UHFFFAOYSA-N 0 1 291.782 3.622 20 0 CHADMN CCC(CC)Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000547143978 334069049 /nfs/dbraw/zinc/06/90/49/334069049.db2.gz BVWIIENRJWQXPP-UHFFFAOYSA-N 0 1 270.336 3.592 20 0 CHADMN c1nc2cc(-c3noc(CC4CCCCC4)n3)ccc2[nH]1 ZINC000547157764 334069859 /nfs/dbraw/zinc/06/98/59/334069859.db2.gz JBEHHNANEGVEPK-UHFFFAOYSA-N 0 1 282.347 3.736 20 0 CHADMN CC(C)C[C@@H](C)Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000547159670 334069872 /nfs/dbraw/zinc/06/98/72/334069872.db2.gz QPMLTOCOTRJCMQ-LLVKDONJSA-N 0 1 284.363 3.838 20 0 CHADMN CCC(=O)Nc1cccc(CN[C@@H](C)c2cncc(C)c2)c1 ZINC000547352595 334082389 /nfs/dbraw/zinc/08/23/89/334082389.db2.gz GVRBBOONUOOTFN-AWEZNQCLSA-N 0 1 297.402 3.589 20 0 CHADMN CCCOc1ccc([C@H](C)NCc2ccoc2)cc1 ZINC000134288391 334086730 /nfs/dbraw/zinc/08/67/30/334086730.db2.gz ADKHPLRZHYMHKZ-ZDUSSCGKSA-N 0 1 259.349 3.919 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@H](C)c1cnn(C(C)C)c1 ZINC000547432997 334087759 /nfs/dbraw/zinc/08/77/59/334087759.db2.gz KYIHBMZIRDNXQT-VXGBXAGGSA-N 0 1 293.436 3.946 20 0 CHADMN CCC[C@H]1CCCC[C@@H]1NCc1nc(CC(C)C)no1 ZINC000547509014 334096337 /nfs/dbraw/zinc/09/63/37/334096337.db2.gz PQQCLQJWOQWJRE-KBPBESRZSA-N 0 1 279.428 3.717 20 0 CHADMN C[N@H+](Cc1cnc(-c2ccccc2)s1)CC1CC1 ZINC000077194409 334098093 /nfs/dbraw/zinc/09/80/93/334098093.db2.gz XKPNOSOMIFEZIT-UHFFFAOYSA-N 0 1 258.390 3.652 20 0 CHADMN OC[C@H]1C=C[C@@H](N[C@H]2CCc3cc(Cl)cc(Cl)c32)C1 ZINC000134628773 334098203 /nfs/dbraw/zinc/09/82/03/334098203.db2.gz QTUMBOAURAJBFK-BHYNMZESSA-N 0 1 298.213 3.507 20 0 CHADMN CC[C@@H]1CCCN(Cc2ccc(Br)cn2)CC1 ZINC000134756284 334102850 /nfs/dbraw/zinc/10/28/50/334102850.db2.gz HDXYDCSNDZYVRE-GFCCVEGCSA-N 0 1 297.240 3.856 20 0 CHADMN CCCc1nc(CN[C@](C)(CO)C2CCCCC2)cs1 ZINC000077656395 334111033 /nfs/dbraw/zinc/11/10/33/334111033.db2.gz GCXKSRPBDDCGNU-MRXNPFEDSA-N 0 1 296.480 3.517 20 0 CHADMN C[C@@H]1CCN(Cc2coc(-c3ccccc3)n2)[C@H](C)C1 ZINC000077657155 334111119 /nfs/dbraw/zinc/11/11/19/334111119.db2.gz NKLDBVRRSOTQCP-ZIAGYGMSSA-N 0 1 270.376 3.962 20 0 CHADMN c1csc(C[N@H+]2CCC[C@H]2C2CCCCC2)n1 ZINC000134995606 334111327 /nfs/dbraw/zinc/11/13/27/334111327.db2.gz DEGJVEVRMKXAAY-ZDUSSCGKSA-N 0 1 250.411 3.688 20 0 CHADMN COc1ccc(CNCc2cccc(Cl)c2F)cc1 ZINC000135236564 334120685 /nfs/dbraw/zinc/12/06/85/334120685.db2.gz CHCYFYLEFGUZCS-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN CCCCN1C(=O)N=NC1SCc1ccc(F)cc1C ZINC000547821033 334122723 /nfs/dbraw/zinc/12/27/23/334122723.db2.gz PBVNFVWUUVUNLO-UHFFFAOYSA-N 0 1 295.383 3.524 20 0 CHADMN C[N@@H+](CCCC(=O)[O-])CC1CCC(C(C)(C)C)CC1 ZINC000135293928 334123972 /nfs/dbraw/zinc/12/39/72/334123972.db2.gz YWWYVEUMUMTFOH-UHFFFAOYSA-N 0 1 269.429 3.636 20 0 CHADMN CCc1ccc(-c2noc(CN(C(C)C)C3CC3)n2)cc1 ZINC000078339579 334131373 /nfs/dbraw/zinc/13/13/73/334131373.db2.gz MSQLALXKKRCUQU-UHFFFAOYSA-N 0 1 285.391 3.672 20 0 CHADMN COc1ccc(F)cc1CNCc1ccnc2ccccc12 ZINC000547967641 334132109 /nfs/dbraw/zinc/13/21/09/334132109.db2.gz INNQJJNNEWMFEE-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN CC[C@H](C)CN(C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000175220260 335177766 /nfs/dbraw/zinc/17/77/66/335177766.db2.gz PPYMXUKIZLJXOW-LBPRGKRZSA-N 0 1 276.355 3.959 20 0 CHADMN Fc1cccc(F)c1CN1CC[C@H]1Cc1ccccc1 ZINC000548075793 334138343 /nfs/dbraw/zinc/13/83/43/334138343.db2.gz HOFYPPUKJFLTQV-AWEZNQCLSA-N 0 1 273.326 3.782 20 0 CHADMN Cc1cnn(-c2ccncc2NCc2ccc(C)s2)c1 ZINC000136205116 334149222 /nfs/dbraw/zinc/14/92/22/334149222.db2.gz HZCXTFQEHOOHOZ-UHFFFAOYSA-N 0 1 284.388 3.558 20 0 CHADMN CCc1cnc(CN(CC)[C@H](C)Cc2ccsc2)o1 ZINC000548301307 334149522 /nfs/dbraw/zinc/14/95/22/334149522.db2.gz KQQRWQSRAAAQJE-GFCCVEGCSA-N 0 1 278.421 3.752 20 0 CHADMN Cc1ccc(C(=O)Nc2cccc(Cl)c2O)c(F)c1 ZINC000175272998 335178910 /nfs/dbraw/zinc/17/89/10/335178910.db2.gz YEPCSZGNXYMANX-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN Cc1ccc(CNCc2cc(Cl)cc3c2OCC3)cc1 ZINC000136385075 334153508 /nfs/dbraw/zinc/15/35/08/334153508.db2.gz RAPVGMCKUGUIOU-UHFFFAOYSA-N 0 1 287.790 3.873 20 0 CHADMN Fc1ccc(CNCc2cc(Cl)cc3c2OCC3)cc1 ZINC000136382902 334153541 /nfs/dbraw/zinc/15/35/41/334153541.db2.gz OKBHFDRRVAXKME-UHFFFAOYSA-N 0 1 291.753 3.704 20 0 CHADMN CC(C)[C@@H]1CCCC[C@H]1NCc1ncn(-c2ccccc2)n1 ZINC000548442355 334156471 /nfs/dbraw/zinc/15/64/71/334156471.db2.gz OCSBHEGLDVQUHP-DLBZAZTESA-N 0 1 298.434 3.572 20 0 CHADMN C[C@@H]1Cc2ccccc2C[N@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000549140063 334186308 /nfs/dbraw/zinc/18/63/08/334186308.db2.gz VWAYPFHNZLMOHX-CRAIPNDOSA-N 0 1 285.431 3.925 20 0 CHADMN Cc1cccc(CCN[C@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000549181260 334187284 /nfs/dbraw/zinc/18/72/84/334187284.db2.gz IRYVJIWGTNQJOH-CYBMUJFWSA-N 0 1 287.407 3.569 20 0 CHADMN Cc1nc2c(Cl)cccc2c(N2CCO[C@H](C)C2)c1C ZINC000549222720 334187847 /nfs/dbraw/zinc/18/78/47/334187847.db2.gz CEVVGMYZQUBDAI-SNVBAGLBSA-N 0 1 290.794 3.730 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@H](C)C1 ZINC000245461045 334195088 /nfs/dbraw/zinc/19/50/88/334195088.db2.gz FORKQLYMBRCPFV-NWDGAFQWSA-N 0 1 250.386 3.765 20 0 CHADMN CC1(C)C[N@H+]([C@@H]2C=CCCCCC2)[C@H]1[C@H]1CCCO1 ZINC000549717950 334202786 /nfs/dbraw/zinc/20/27/86/334202786.db2.gz LZEJCRYCPPJESH-OAGGEKHMSA-N 0 1 263.425 3.765 20 0 CHADMN COc1ccc(F)c(CN[C@@H]2CCc3c2cccc3C)c1 ZINC000549754521 334203775 /nfs/dbraw/zinc/20/37/75/334203775.db2.gz AHGNRNVECQZJNV-GOSISDBHSA-N 0 1 285.362 3.920 20 0 CHADMN CC(C)COc1ccccc1CN(C)C[C@H]1CCCCO1 ZINC000549779982 334204837 /nfs/dbraw/zinc/20/48/37/334204837.db2.gz QTGCURIABHRUAZ-QGZVFWFLSA-N 0 1 291.435 3.722 20 0 CHADMN COc1ccc(F)c(CNCCO[C@@H]2CCCC[C@@H]2C)c1 ZINC000550099630 334212969 /nfs/dbraw/zinc/21/29/69/334212969.db2.gz DJCWHRAGIUKHEV-SUMWQHHRSA-N 0 1 295.398 3.519 20 0 CHADMN C[C@H]1CCN(Cc2ncc(-c3cccs3)o2)C[C@H]1C ZINC000245887656 334222842 /nfs/dbraw/zinc/22/28/42/334222842.db2.gz JBIDLKOJDYYODK-NWDGAFQWSA-N 0 1 276.405 3.881 20 0 CHADMN COc1ccccc1CN(C)Cc1cc(C)c(O)c(C)c1 ZINC000550544062 334224111 /nfs/dbraw/zinc/22/41/11/334224111.db2.gz SAPDFBPWOGPEED-UHFFFAOYSA-N 0 1 285.387 3.650 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)N(C)C[C@@H](O)C(F)(F)F ZINC000245961341 334225871 /nfs/dbraw/zinc/22/58/71/334225871.db2.gz DIVLBWNPRCFKAG-IAQYHMDHSA-N 0 1 297.320 3.756 20 0 CHADMN CCC[C@@H](C)C(=O)NCCN[C@@H](C)c1ccccc1Cl ZINC000550832945 334229858 /nfs/dbraw/zinc/22/98/58/334229858.db2.gz QYQXXHNRKQRXKL-OLZOCXBDSA-N 0 1 296.842 3.543 20 0 CHADMN CCCN1CCC[C@H]1c1nc(Cc2ccccc2C)no1 ZINC000551037359 334236661 /nfs/dbraw/zinc/23/66/61/334236661.db2.gz OIFXSZIRENQVDG-HNNXBMFYSA-N 0 1 285.391 3.516 20 0 CHADMN C[C@@H](CCc1ccsc1)NCc1noc2c1CCCC2 ZINC000564375484 334237914 /nfs/dbraw/zinc/23/79/14/334237914.db2.gz AWFCSSLYXNYHOO-LBPRGKRZSA-N 0 1 290.432 3.726 20 0 CHADMN C[C@H]1CCN(Cc2nc(C(C)(C)C)cs2)[C@H]1C ZINC000246208053 334240576 /nfs/dbraw/zinc/24/05/76/334240576.db2.gz JWWIPNRNDAFBTN-QWRGUYRKSA-N 0 1 252.427 3.671 20 0 CHADMN Cc1ccc(C[C@H](NCC(C)(F)F)C2CC2)cc1 ZINC000551240985 334242336 /nfs/dbraw/zinc/24/23/36/334242336.db2.gz JCLNICJNPOLHMN-AWEZNQCLSA-N 0 1 253.336 3.561 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc[nH]c(=O)c1)c1ccc(F)cc1Cl ZINC000551242358 334242892 /nfs/dbraw/zinc/24/28/92/334242892.db2.gz TXXJAXOCPVSMFT-VHSXEESVSA-N 0 1 294.757 3.992 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1cnn(C2CCCC2)c1 ZINC000551306201 334246130 /nfs/dbraw/zinc/24/61/30/334246130.db2.gz GZQLZFQMFGWFOO-BYCMXARLSA-N 0 1 265.376 3.539 20 0 CHADMN COc1ccccc1[C@H](N[C@H]1CCO[C@@H]1C)c1ccccc1 ZINC000246280209 334248222 /nfs/dbraw/zinc/24/82/22/334248222.db2.gz BMFGEMHBBUMWIW-DKSSEZFCSA-N 0 1 297.398 3.552 20 0 CHADMN Cc1ccc2nc(CN[C@@H]3CCc4c3cccc4C)cn2c1 ZINC000551538477 334253635 /nfs/dbraw/zinc/25/36/35/334253635.db2.gz WNUDIIHDSAHJNC-GOSISDBHSA-N 0 1 291.398 3.728 20 0 CHADMN Cc1c(Cl)cccc1N1CCCN(CC2(F)CC2)CC1 ZINC000551822329 334263356 /nfs/dbraw/zinc/26/33/56/334263356.db2.gz CDDZRHNMQPGGRV-UHFFFAOYSA-N 0 1 296.817 3.663 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@H](C)c2nccs2)C12CCCCC2 ZINC000246790670 334269628 /nfs/dbraw/zinc/26/96/28/334269628.db2.gz HTAMXLBOXYJZQP-HZSPNIEDSA-N 0 1 294.464 3.922 20 0 CHADMN CC(C)n1ccc(CN2CCC[C@H]3CCCC[C@H]32)n1 ZINC000246819125 334269984 /nfs/dbraw/zinc/26/99/84/334269984.db2.gz BWOQOAPGBODSCG-GDBMZVCRSA-N 0 1 261.413 3.619 20 0 CHADMN C[C@H]1CCN(Cc2coc(-c3c(F)cccc3F)n2)[C@H]1C ZINC000246837865 334270515 /nfs/dbraw/zinc/27/05/15/334270515.db2.gz VBVWBKCGDPFCMA-QWRGUYRKSA-N 0 1 292.329 3.850 20 0 CHADMN CC[C@H](C)[C@@H](C)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000246885765 334271338 /nfs/dbraw/zinc/27/13/38/334271338.db2.gz OUBFGEQEPKWVJW-BFHYXJOUSA-N 0 1 287.407 3.746 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)N3CCC[C@H]3C)n2)cc1F ZINC000247489688 334282935 /nfs/dbraw/zinc/28/29/35/334282935.db2.gz KVTLWIXXKFSYBM-NEPJUHHUSA-N 0 1 289.354 3.729 20 0 CHADMN CC[C@H](N[C@H](CO)c1ccccc1OC)c1cccc(C)c1 ZINC000552063861 334283794 /nfs/dbraw/zinc/28/37/94/334283794.db2.gz PWKWMAVPIQGBGM-ZWKOTPCHSA-N 0 1 299.414 3.778 20 0 CHADMN C[C@H](CN[C@H](c1ncc[nH]1)C1CCCCC1)C(F)(F)F ZINC000552066279 334284679 /nfs/dbraw/zinc/28/46/79/334284679.db2.gz CRGGMZHCCVWMLZ-PWSUYJOCSA-N 0 1 289.345 3.819 20 0 CHADMN CC1=CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000552076229 334286717 /nfs/dbraw/zinc/28/67/17/334286717.db2.gz AXPMAELKHXRGOK-UHFFFAOYSA-N 0 1 274.383 3.578 20 0 CHADMN CC(C)c1cnc(CN2CC[C@@H](C)[C@H](C)C2)s1 ZINC000248482755 334303652 /nfs/dbraw/zinc/30/36/52/334303652.db2.gz JCGLLFONLPYPSD-VXGBXAGGSA-N 0 1 252.427 3.744 20 0 CHADMN C[C@]1(CN[C@@H](c2ccco2)c2ccccc2)CCCC[C@H]1O ZINC000248499814 334304269 /nfs/dbraw/zinc/30/42/69/334304269.db2.gz SFJIPNPNMKFRDU-GUDVDZBRSA-N 0 1 299.414 3.900 20 0 CHADMN c1ccc(-c2nnc(CN3CCC[C@H]4CCC[C@H]43)s2)cc1 ZINC000248633216 334310078 /nfs/dbraw/zinc/31/00/78/334310078.db2.gz SEXJXUVSIRRFJI-UKRRQHHQSA-N 0 1 299.443 3.970 20 0 CHADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1cccc(Cl)c1Cl ZINC000086777995 334315710 /nfs/dbraw/zinc/31/57/10/334315710.db2.gz XNOKRZKUCNTPMH-UHFFFAOYSA-N 0 1 290.190 3.536 20 0 CHADMN CC(C)[C@H]1C[N@@H+](C[C@H](C)c2cccc(Cl)c2)CCN1C ZINC000564390955 334321055 /nfs/dbraw/zinc/32/10/55/334321055.db2.gz VWKHUAQFOIQSTD-WMLDXEAASA-N 0 1 294.870 3.716 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCSC[C@@H](C)C1 ZINC000249027666 334325031 /nfs/dbraw/zinc/32/50/31/334325031.db2.gz LRANGJSLVTWLJS-WDEREUQCSA-N 0 1 271.376 3.711 20 0 CHADMN CCC1(CC)CN([C@H](C)c2ccccc2C)CC[S@]1=O ZINC000249035715 334325436 /nfs/dbraw/zinc/32/54/36/334325436.db2.gz TZKXOHNKSWQGTO-FOIQADDNSA-N 0 1 293.476 3.679 20 0 CHADMN CCc1noc([C@H](C)N[C@@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000249071172 334326617 /nfs/dbraw/zinc/32/66/17/334326617.db2.gz QZSYOSXGMCGYFX-CWRNSKLLSA-N 0 1 299.418 3.694 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3nc(C)ccc3c2)C[C@@H](C)O1 ZINC000249192058 334329802 /nfs/dbraw/zinc/32/98/02/334329802.db2.gz OLTMZXWUINZOQV-RHSMWYFYSA-N 0 1 284.403 3.543 20 0 CHADMN C[C@H]1CC[C@H](N[C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000249210606 334330331 /nfs/dbraw/zinc/33/03/31/334330331.db2.gz XWNJMZGDAWUVSW-BPUTZDHNSA-N 0 1 269.392 3.667 20 0 CHADMN CC[C@@]1(CO)CCCN([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000249561319 334336612 /nfs/dbraw/zinc/33/66/12/334336612.db2.gz LRZBETHBONXEMN-MLGOLLRUSA-N 0 1 283.362 3.510 20 0 CHADMN Cc1cc(CNCCC23CC4CC(CC(C4)C2)C3)no1 ZINC000552587368 334337986 /nfs/dbraw/zinc/33/79/86/334337986.db2.gz GPKONEIJEIUJIS-UHFFFAOYSA-N 0 1 274.408 3.679 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@H](C)c2c(F)cccc2F)C12CCC2 ZINC000250526930 334345811 /nfs/dbraw/zinc/34/58/11/334345811.db2.gz RCXSQGXNBZBMRN-BYCMXARLSA-N 0 1 295.373 3.963 20 0 CHADMN C[C@H](C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000251088076 334356118 /nfs/dbraw/zinc/35/61/18/334356118.db2.gz JPJNJBFNGFTFDH-IWCQGFGOSA-N 0 1 287.403 3.508 20 0 CHADMN Cc1ccc(C)c(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000251142795 334357174 /nfs/dbraw/zinc/35/71/74/334357174.db2.gz DMBJCZATKVXPLT-UAGQMJEPSA-N 0 1 287.403 3.521 20 0 CHADMN CN(C)[C@H](CNC(=O)C(C)(C)C(C)(C)C)c1ccsc1 ZINC000553266191 334372367 /nfs/dbraw/zinc/37/23/67/334372367.db2.gz STPZUZIYHKOKBV-CYBMUJFWSA-N 0 1 296.480 3.539 20 0 CHADMN CC(C)c1cc(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2)n[nH]1 ZINC000553337384 334378773 /nfs/dbraw/zinc/37/87/73/334378773.db2.gz HRFXOWDMOWRKRB-GUYCJALGSA-N 0 1 297.402 3.756 20 0 CHADMN CCCC[C@@H](COC)N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000091726599 334382519 /nfs/dbraw/zinc/38/25/19/334382519.db2.gz RNNSKZLDPMTZKW-STQMWFEESA-N 0 1 296.480 3.878 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@H]3CC34CCCCC4)[nH]c2c1 ZINC000553812232 334399385 /nfs/dbraw/zinc/39/93/85/334399385.db2.gz RLSJRHLZADYAOT-GFCCVEGCSA-N 0 1 283.375 3.780 20 0 CHADMN Cc1ccc2nc(NC(=O)CC(C)(C)C(F)(F)F)[nH]c2c1 ZINC000553811477 334399387 /nfs/dbraw/zinc/39/93/87/334399387.db2.gz BGKKFZWDBYEQQJ-UHFFFAOYSA-N 0 1 299.296 3.788 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@H](C)c3ccccc3F)[nH]c2c1 ZINC000553823187 334399862 /nfs/dbraw/zinc/39/98/62/334399862.db2.gz JTUGUVOALYTFLY-LLVKDONJSA-N 0 1 297.333 3.753 20 0 CHADMN C[C@H](NCc1ccc(OC(F)F)cc1)c1ccoc1 ZINC000094867680 334506617 /nfs/dbraw/zinc/50/66/17/334506617.db2.gz DVIKGQMNMQRGAL-JTQLQIEISA-N 0 1 267.275 3.732 20 0 CHADMN C/C(=C/c1ccccc1)CN[C@H](c1ccccc1F)[C@@H](C)O ZINC000565308194 334551285 /nfs/dbraw/zinc/55/12/85/334551285.db2.gz QJJYMYFXMRVMIB-IJAASOSBSA-N 0 1 299.389 3.941 20 0 CHADMN CCC1(c2noc(-c3ccc4cncn4c3)n2)CCCC1 ZINC000565744955 334593430 /nfs/dbraw/zinc/59/34/30/334593430.db2.gz BOHKNRUUTFELKI-UHFFFAOYSA-N 0 1 282.347 3.606 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](c2ccccc2F)[C@H](C)O)cc1 ZINC000565838924 334601988 /nfs/dbraw/zinc/60/19/88/334601988.db2.gz VILVMLVROWKZSP-SUNYJGFJSA-N 0 1 287.378 3.907 20 0 CHADMN Cc1cccn2cc(CNC/C=C\c3ccc(F)cc3)nc12 ZINC000263633250 334673226 /nfs/dbraw/zinc/67/32/26/334673226.db2.gz RYTXYSMPLIIRRT-DJWKRKHSSA-N 0 1 295.361 3.585 20 0 CHADMN Nc1ccc2c(c1)CC[C@H]2NCc1cc(Cl)ccc1F ZINC000567627295 334742091 /nfs/dbraw/zinc/74/20/91/334742091.db2.gz LOFZNWYTNXSNOV-MRXNPFEDSA-N 0 1 290.769 3.838 20 0 CHADMN C[C@H](NC1CCC2(CC2)CC1)c1nc(C(C)(C)C)no1 ZINC000567665352 334748825 /nfs/dbraw/zinc/74/88/25/334748825.db2.gz JWOAKQWPSQMMAX-NSHDSACASA-N 0 1 277.412 3.741 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000568107776 334792856 /nfs/dbraw/zinc/79/28/56/334792856.db2.gz YHERSLCVSQVBOZ-UKRRQHHQSA-N 0 1 299.418 3.984 20 0 CHADMN Cc1ccoc1CNCCOCc1ccc(Cl)cc1 ZINC000158516696 334804132 /nfs/dbraw/zinc/80/41/32/334804132.db2.gz RUKNMFFPPGXDLP-UHFFFAOYSA-N 0 1 279.767 3.548 20 0 CHADMN COc1cc([C@@H](C)NCc2cnccc2C(C)(C)C)ccn1 ZINC000568238843 334807435 /nfs/dbraw/zinc/80/74/35/334807435.db2.gz DTLUBHRYDDZJHQ-CYBMUJFWSA-N 0 1 299.418 3.634 20 0 CHADMN CCC[C@@H](NCc1cccc(NC(C)=O)c1)c1ccccn1 ZINC000158637614 334808561 /nfs/dbraw/zinc/80/85/61/334808561.db2.gz ZLZBCWIHGMJTIR-QGZVFWFLSA-N 0 1 297.402 3.671 20 0 CHADMN CCc1cccnc1[C@@H](C)NC1(c2cccc(OC)c2)CC1 ZINC000569249367 334863874 /nfs/dbraw/zinc/86/38/74/334863874.db2.gz HULILYVUZMIKLY-CQSZACIVSA-N 0 1 296.414 3.993 20 0 CHADMN COc1ccc(OC)c([C@H](C)NCc2ccsc2C)c1 ZINC000293981390 334893002 /nfs/dbraw/zinc/89/30/02/334893002.db2.gz DSOXMGCYOKAZML-NSHDSACASA-N 0 1 291.416 3.925 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CC[C@@H](c2ccncc2)C1 ZINC000576300850 335186786 /nfs/dbraw/zinc/18/67/86/335186786.db2.gz MGQPIEYSVIOFPV-GXTWGEPZSA-N 0 1 288.341 3.910 20 0 CHADMN CC[C@@H](F)CN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000576624551 335227122 /nfs/dbraw/zinc/22/71/22/335227122.db2.gz ABPKDCJZIBCADX-GFCCVEGCSA-N 0 1 294.345 3.894 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000576710619 335238426 /nfs/dbraw/zinc/23/84/26/335238426.db2.gz NIFVUOAAKPOJQM-GZKZCVOOSA-N 0 1 287.403 3.809 20 0 CHADMN CCOCc1nc([C@@H](C)N[C@H](CC)C2CCCCC2)no1 ZINC000576747886 335242511 /nfs/dbraw/zinc/24/25/11/335242511.db2.gz QDQDFIRWHPWETL-TZMCWYRMSA-N 0 1 295.427 3.616 20 0 CHADMN Cc1csc(CNCc2cn3cc(Cl)ccc3n2)c1 ZINC000344639301 335261611 /nfs/dbraw/zinc/26/16/11/335261611.db2.gz PEJZZDKNZNOSJP-UHFFFAOYSA-N 0 1 291.807 3.647 20 0 CHADMN CSc1ccc(CN[C@@H](CO)c2ccccc2C)s1 ZINC000576911988 335263146 /nfs/dbraw/zinc/26/31/46/335263146.db2.gz VAYOUGBSCZEVQC-AWEZNQCLSA-N 0 1 293.457 3.602 20 0 CHADMN Cc1ccc2nc(CN[C@@H](c3ccccc3)C3CC3)cn2c1 ZINC000192504467 335266585 /nfs/dbraw/zinc/26/65/85/335266585.db2.gz MWVJYFLOSYWHPZ-IBGZPJMESA-N 0 1 291.398 3.884 20 0 CHADMN Cc1nc2c(n1CCOc1ccccc1Cl)CCCC2 ZINC000577006385 335278237 /nfs/dbraw/zinc/27/82/37/335278237.db2.gz SZAQAEQNLSWXGD-UHFFFAOYSA-N 0 1 290.794 3.803 20 0 CHADMN COC[C@@H](C)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000192739328 335298708 /nfs/dbraw/zinc/29/87/08/335298708.db2.gz FBFDOAFBVQMNMY-GFCCVEGCSA-N 0 1 291.341 3.679 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)CC1(C)C ZINC000580652437 335312080 /nfs/dbraw/zinc/31/20/80/335312080.db2.gz FYIKBIBCOFKYID-LLVKDONJSA-N 0 1 295.810 3.906 20 0 CHADMN CC(C)[N@@H+](CC[C@H](C(=O)[O-])c1ccccc1)CC1CCC1 ZINC000577184759 335318629 /nfs/dbraw/zinc/31/86/29/335318629.db2.gz RLLOEKWIHQWREM-KRWDZBQOSA-N 0 1 289.419 3.755 20 0 CHADMN CN1CCN(Cc2ccc(Cl)s2)c2ccccc2C1 ZINC000577398710 335348385 /nfs/dbraw/zinc/34/83/85/335348385.db2.gz PFYYBVHYCCOAKI-UHFFFAOYSA-N 0 1 292.835 3.854 20 0 CHADMN CCn1nc(C)c(CN[C@H](C)c2csc(C)c2)c1C ZINC000577469397 335355693 /nfs/dbraw/zinc/35/56/93/335355693.db2.gz CQCLVSIUUKCKJQ-LLVKDONJSA-N 0 1 277.437 3.741 20 0 CHADMN CC(C)c1cccc(CNCc2ccc3c(n2)CCC3)c1 ZINC000577596452 335375565 /nfs/dbraw/zinc/37/55/65/335375565.db2.gz CITYNINBXGYIIB-UHFFFAOYSA-N 0 1 280.415 3.984 20 0 CHADMN C[C@@H](NCc1cccc(NC(=O)C2CCC2)c1)c1ccoc1 ZINC000177717979 335381486 /nfs/dbraw/zinc/38/14/86/335381486.db2.gz GAGQVZMBUJWTJZ-CYBMUJFWSA-N 0 1 298.386 3.869 20 0 CHADMN C(=C/[C@@H]1CCCCCN1Cc1cnccn1)\c1ccccc1 ZINC000577705088 335390488 /nfs/dbraw/zinc/39/04/88/335390488.db2.gz CJTCMFXLUYDPID-VYENPZKTSA-N 0 1 293.414 3.935 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CCC(C)(C)C[C@H]1C ZINC000577732586 335393829 /nfs/dbraw/zinc/39/38/29/335393829.db2.gz KFYUKEMRWMTQRM-YPMHNXCESA-N 0 1 291.439 3.786 20 0 CHADMN CCc1ccc(C[N@@H+](Cc2occc2C(=O)[O-])C2CC2)cc1 ZINC000577737028 335394529 /nfs/dbraw/zinc/39/45/29/335394529.db2.gz HDJAABHJFLCFJX-UHFFFAOYSA-N 0 1 299.370 3.705 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1ccsc1)c1ccc(F)cc1 ZINC000349414355 335464594 /nfs/dbraw/zinc/46/45/94/335464594.db2.gz NPNNOZAQHXFGBQ-CABCVRRESA-N 0 1 279.380 3.662 20 0 CHADMN Clc1ccc(-c2noc(C34CCCN3CCC4)n2)s1 ZINC000351229779 335584761 /nfs/dbraw/zinc/58/47/61/335584761.db2.gz SAWMJHKPVRFSAZ-UHFFFAOYSA-N 0 1 295.795 3.536 20 0 CHADMN Cc1nnc([C@H](C)N[C@H](C)CCCC(F)(F)F)s1 ZINC000359991915 335825383 /nfs/dbraw/zinc/82/53/83/335825383.db2.gz ITASOVTYYPPUMV-SFYZADRCSA-N 0 1 281.347 3.618 20 0 CHADMN Cc1nnc([C@@H](C)N[C@@H](C)CCCC(F)(F)F)s1 ZINC000359991913 335825437 /nfs/dbraw/zinc/82/54/37/335825437.db2.gz ITASOVTYYPPUMV-JGVFFNPUSA-N 0 1 281.347 3.618 20 0 CHADMN CC[C@@H](NCc1ccc2ccccc2c1)c1nccn1C ZINC000182627288 335831968 /nfs/dbraw/zinc/83/19/68/335831968.db2.gz UOSHDBGMEQPVTI-QGZVFWFLSA-N 0 1 279.387 3.814 20 0 CHADMN C[C@H]1C[C@@H](NCc2cc(C(F)(F)F)ccc2Cl)CO1 ZINC000579712272 335870950 /nfs/dbraw/zinc/87/09/50/335870950.db2.gz QAPNGTOMSQFVMR-GZMMTYOYSA-N 0 1 293.716 3.626 20 0 CHADMN COC(=O)c1coc(CNC2(c3ccccc3)CCCC2)c1 ZINC000183549423 335897214 /nfs/dbraw/zinc/89/72/14/335897214.db2.gz LZFBJNYNBQMITO-UHFFFAOYSA-N 0 1 299.370 3.625 20 0 CHADMN C[C@@H](NC1CCCC1)c1nc(C2CCCCC2)no1 ZINC000185246032 335949337 /nfs/dbraw/zinc/94/93/37/335949337.db2.gz DLHFGZYEUJGNIM-LLVKDONJSA-N 0 1 263.385 3.711 20 0 CHADMN C[C@H](CC(C)(C)C)N[C@H](c1nccn1C)c1ccccc1 ZINC000580992395 335993348 /nfs/dbraw/zinc/99/33/48/335993348.db2.gz WITJCJKNAVRFDW-ZBFHGGJFSA-N 0 1 285.435 3.924 20 0 CHADMN C[C@@H]1CCCC[C@@H]1N(C)Cc1nc(Cc2ccccc2)no1 ZINC000194142883 336004997 /nfs/dbraw/zinc/00/49/97/336004997.db2.gz YZBDKBHOSMBRSL-ZBFHGGJFSA-N 0 1 299.418 3.671 20 0 CHADMN C[C@@H]1CCCC[C@H]1N(C)Cc1nc(Cc2ccccc2)no1 ZINC000194142913 336005066 /nfs/dbraw/zinc/00/50/66/336005066.db2.gz YZBDKBHOSMBRSL-GDBMZVCRSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1c2ccccc2nc(C[N@H+](C(C)C)C2CC2)c1C(=O)[O-] ZINC000581197221 336023312 /nfs/dbraw/zinc/02/33/12/336023312.db2.gz YYAKFPANCMDWBF-UHFFFAOYSA-N 0 1 298.386 3.614 20 0 CHADMN CCC1CCC(CN[C@@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000195025878 336042874 /nfs/dbraw/zinc/04/28/74/336042874.db2.gz VQONEMYFZFNMNA-VMBOVVBDSA-N 0 1 298.434 3.700 20 0 CHADMN Fc1cccc(Cl)c1CN1CC[C@H](c2ccncc2)C1 ZINC000581348642 336056444 /nfs/dbraw/zinc/05/64/44/336056444.db2.gz GZNUHANGISUIJK-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN CCN(CC)C(=O)CN(C)[C@H](C)c1ccc(C(C)C)cc1 ZINC000195732490 336059020 /nfs/dbraw/zinc/05/90/20/336059020.db2.gz XSLLLKLXQPCSKC-OAHLLOKOSA-N 0 1 290.451 3.671 20 0 CHADMN CC(C)OC[C@H](C)NCc1cc(Cl)sc1Cl ZINC000381315205 336059214 /nfs/dbraw/zinc/05/92/14/336059214.db2.gz MSOLYVOQYMHXES-QMMMGPOBSA-N 0 1 282.236 3.958 20 0 CHADMN Cc1nc2c(n1C[C@H]1CCCCC1(F)F)CCCC2 ZINC000381564661 336068473 /nfs/dbraw/zinc/06/84/73/336068473.db2.gz XAHZSIOUZHYJJA-GFCCVEGCSA-N 0 1 268.351 3.896 20 0 CHADMN C[C@@H](C[N@H+](Cc1ccccc1)CC1CCCCC1)C(=O)[O-] ZINC000581435033 336077011 /nfs/dbraw/zinc/07/70/11/336077011.db2.gz XULKZLSZDCAKOT-HNNXBMFYSA-N 0 1 289.419 3.790 20 0 CHADMN CCc1nc(CNC[C@@H]2CCCCC2(F)F)cs1 ZINC000382043551 336080704 /nfs/dbraw/zinc/08/07/04/336080704.db2.gz DRSDNHLTLAJZGH-JTQLQIEISA-N 0 1 274.380 3.621 20 0 CHADMN CCO[C@H]1C[C@@H](N(C)Cc2c(C)nsc2C)C12CCC2 ZINC000581555962 336102242 /nfs/dbraw/zinc/10/22/42/336102242.db2.gz FGWUBZZNFUVIQZ-CABCVRRESA-N 0 1 294.464 3.539 20 0 CHADMN CCO[C@H]1C[C@H](N(C)Cc2c(C)nsc2C)C12CCC2 ZINC000581555963 336102433 /nfs/dbraw/zinc/10/24/33/336102433.db2.gz FGWUBZZNFUVIQZ-GJZGRUSLSA-N 0 1 294.464 3.539 20 0 CHADMN CC[C@H](C)C[C@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000383060369 336103615 /nfs/dbraw/zinc/10/36/15/336103615.db2.gz NGWGYMBKBHJALT-QWRGUYRKSA-N 0 1 255.789 3.960 20 0 CHADMN C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000383051488 336103713 /nfs/dbraw/zinc/10/37/13/336103713.db2.gz KUFOWTYTLRLDEO-CMPLNLGQSA-N 0 1 253.773 3.714 20 0 CHADMN Cc1ccc(C)c(CN[C@H]2c3ccccc3O[C@@H]2C)c1 ZINC000581570799 336104773 /nfs/dbraw/zinc/10/47/73/336104773.db2.gz KYNDKQAABSPIRB-RDTXWAMCSA-N 0 1 267.372 3.915 20 0 CHADMN Oc1ccccc1-c1n[nH]c(SCC2=CCCCC2)n1 ZINC000581589064 336107870 /nfs/dbraw/zinc/10/78/70/336107870.db2.gz BBYPBWKBORELMB-UHFFFAOYSA-N 0 1 287.388 3.770 20 0 CHADMN CS[C@@H]1CCC[C@H](Nc2ccnc(C)c2Cl)C1 ZINC000383490568 336110405 /nfs/dbraw/zinc/11/04/05/336110405.db2.gz ATBGQHFIWLISDK-WDEREUQCSA-N 0 1 270.829 3.551 20 0 CHADMN CC[C@@H](C)CCC(=O)Nc1cc(F)cc(Cl)c1O ZINC000581623436 336114181 /nfs/dbraw/zinc/11/41/81/336114181.db2.gz LBOSKKLDZMSUNC-MRVPVSSYSA-N 0 1 273.735 3.950 20 0 CHADMN FC(F)(F)C1CN(CC/C=C/c2ccccc2)C1 ZINC000581707401 336132379 /nfs/dbraw/zinc/13/23/79/336132379.db2.gz VYEISJZHZSCSIP-XBXARRHUSA-N 0 1 255.283 3.584 20 0 CHADMN CCc1nc([C@H](C)N[C@@H]2CC[C@@H](C)c3ccsc32)n[nH]1 ZINC000581708357 336132651 /nfs/dbraw/zinc/13/26/51/336132651.db2.gz DCHMTDBPNIMHNN-JFGNBEQYSA-N 0 1 290.436 3.718 20 0 CHADMN Cc1cccc([C@H]2CCC[N@H+]2Cc2occc2C(=O)[O-])c1C ZINC000581829610 336148931 /nfs/dbraw/zinc/14/89/31/336148931.db2.gz CGBVGJSZNIKNPK-MRXNPFEDSA-N 0 1 299.370 3.932 20 0 CHADMN CC1(C)CN(Cc2cnn(Cc3ccccc3)c2)[C@@H]1C1CC1 ZINC000581856266 336152055 /nfs/dbraw/zinc/15/20/55/336152055.db2.gz LZFUQYVICUKLKG-GOSISDBHSA-N 0 1 295.430 3.552 20 0 CHADMN C[C@@H](N[C@@H](C)c1c(F)cccc1Cl)[C@H]1CCCO1 ZINC000386419612 336173020 /nfs/dbraw/zinc/17/30/20/336173020.db2.gz ZFYYIKKHEXEBGM-GBIKHYSHSA-N 0 1 271.763 3.697 20 0 CHADMN C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000581949231 336175060 /nfs/dbraw/zinc/17/50/60/336175060.db2.gz UIEMVUAIEFSJDG-VXGBXAGGSA-N 0 1 279.355 3.534 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](Cc1ccco1)C(C)C ZINC000581948981 336175109 /nfs/dbraw/zinc/17/51/09/336175109.db2.gz JAQLOZSOUALPQB-UHFFFAOYSA-N 0 1 291.347 3.544 20 0 CHADMN CCCCCN(CCCCC)C(=O)c1cnc(C)[nH]1 ZINC000264829681 520164070 /nfs/dbraw/zinc/16/40/70/520164070.db2.gz IVWXIOQJHXXXTH-UHFFFAOYSA-N 0 1 265.401 3.541 20 0 CHADMN CCCCOc1ccc(CNCc2ccco2)cc1 ZINC000020083983 520881120 /nfs/dbraw/zinc/88/11/20/520881120.db2.gz PAKNZDLXACHRHG-UHFFFAOYSA-N 0 1 259.349 3.748 20 0 CHADMN C[C@@H]1CCC[C@@H](CC(=O)Nc2cccc(-c3nnc[nH]3)c2)C1 ZINC000114393150 533741229 /nfs/dbraw/zinc/74/12/29/533741229.db2.gz NSGPPYKPQAMBCN-CHWSQXEVSA-N 0 1 298.390 3.627 20 0 CHADMN C[C@H]1CC[C@H](c2ccccc2)N(Cc2n[nH]c(C3CC3)n2)C1 ZINC000352808826 533766840 /nfs/dbraw/zinc/76/68/40/533766840.db2.gz ZQMVGQRJDVUGRX-XJKSGUPXSA-N 0 1 296.418 3.655 20 0 CHADMN C[C@H](NC1CC(F)(F)C1)c1ccc2ccccc2n1 ZINC000336119339 533794598 /nfs/dbraw/zinc/79/45/98/533794598.db2.gz GVIUQEDOWJIXAX-JTQLQIEISA-N 0 1 262.303 3.683 20 0 CHADMN C[C@H](CCC(C)(C)C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000347831535 533800492 /nfs/dbraw/zinc/80/04/92/533800492.db2.gz RQKBMYKYRZUNSD-CYBMUJFWSA-N 0 1 291.439 3.544 20 0 CHADMN C[C@H]1CN(Cc2c(Cl)oc3ccccc32)CCCO1 ZINC000353444441 533947281 /nfs/dbraw/zinc/94/72/81/533947281.db2.gz UQWIIPIAHJTURS-NSHDSACASA-N 0 1 279.767 3.697 20 0 CHADMN COc1ccccc1/C=C\CN(C)Cc1cccc(C)n1 ZINC000353764887 533956685 /nfs/dbraw/zinc/95/66/85/533956685.db2.gz ATDWWTUHGDWGGN-YFHOEESVSA-N 0 1 282.387 3.544 20 0 CHADMN CS[C@@H]1CC[C@@H]1N[C@H](c1ccco1)c1ccccc1 ZINC000346595687 533994611 /nfs/dbraw/zinc/99/46/11/533994611.db2.gz FTEQDVNMQAAVBV-IMJJTQAJSA-N 0 1 273.401 3.853 20 0 CHADMN COc1ccccc1C1(CNc2cccc(C)n2)CC1 ZINC000354872774 534001709 /nfs/dbraw/zinc/00/17/09/534001709.db2.gz BTULRERZJXKYEN-UHFFFAOYSA-N 0 1 268.360 3.542 20 0 CHADMN CS[C@@H]1CC[C@H]1N[C@@H](c1ccccc1)c1ccccn1 ZINC000352781273 534004884 /nfs/dbraw/zinc/00/48/84/534004884.db2.gz AQOBJFXXPFQWEA-OIISXLGYSA-N 0 1 284.428 3.655 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Cl)o2)CC12CCC2 ZINC000354906062 534037211 /nfs/dbraw/zinc/03/72/11/534037211.db2.gz MDMNEZDLZUCKIO-LLVKDONJSA-N 0 1 253.773 3.945 20 0 CHADMN C[C@@H]1Cc2ccc(Br)cc2CN1CCCF ZINC000347343941 534065034 /nfs/dbraw/zinc/06/50/34/534065034.db2.gz FQSUYYDLSHRGQV-SNVBAGLBSA-N 0 1 286.188 3.555 20 0 CHADMN OCCCN(Cc1ccccc1)Cc1ccccc1Cl ZINC000353306166 534357869 /nfs/dbraw/zinc/35/78/69/534357869.db2.gz GABPTHUMBIQSCS-UHFFFAOYSA-N 0 1 289.806 3.725 20 0 CHADMN Cc1nc(CN2CCSC3(CCC3)CC2)sc1C ZINC000334636837 534364737 /nfs/dbraw/zinc/36/47/37/534364737.db2.gz MBLJGXNARBNBAP-UHFFFAOYSA-N 0 1 282.478 3.622 20 0 CHADMN CC(C)(C)N(Cc1cn2cccnc2n1)Cc1ccccc1 ZINC000130433703 518704167 /nfs/dbraw/zinc/70/41/67/518704167.db2.gz VSSMPKVQHNBLEL-UHFFFAOYSA-N 0 1 294.402 3.530 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc3cncn3c2)CC1 ZINC000339954893 518937232 /nfs/dbraw/zinc/93/72/32/518937232.db2.gz RIQRYKPMFNKJJV-OAHLLOKOSA-N 0 1 299.418 3.623 20 0 CHADMN CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cccc([O-])c2Cl)CCO1 ZINC000293215577 518981312 /nfs/dbraw/zinc/98/13/12/518981312.db2.gz JNSOUABEKNMCBM-GXTWGEPZSA-N 0 1 297.826 3.729 20 0 CHADMN CC(C)(C)c1nc(CSC2=Nc3ccccc3C2)n[nH]1 ZINC000292531237 519101451 /nfs/dbraw/zinc/10/14/51/519101451.db2.gz VRRBJZRFCUCBQG-UHFFFAOYSA-N 0 1 286.404 3.622 20 0 CHADMN CC(C)(C)c1ncc(CNCc2ccsc2)s1 ZINC000059180984 519114010 /nfs/dbraw/zinc/11/40/10/519114010.db2.gz BDRTYUQWSGLKEX-UHFFFAOYSA-N 0 1 266.435 3.792 20 0 CHADMN CC(C)C[C@@H](N)c1noc(/C=C/c2c(F)cccc2F)n1 ZINC000339384346 519230732 /nfs/dbraw/zinc/23/07/32/519230732.db2.gz FCUULCZHMPYMMU-KTRBRXNASA-N 0 1 293.317 3.564 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000339397886 519234974 /nfs/dbraw/zinc/23/49/74/519234974.db2.gz UCOGZMYTSNSKMJ-TVQRCGJNSA-N 0 1 295.333 3.546 20 0 CHADMN CC(C)C[C@H](N)c1noc(/C=C/c2ccccc2Cl)n1 ZINC000339394949 519374270 /nfs/dbraw/zinc/37/42/70/519374270.db2.gz RLMWEYVFTYDMDD-GWJCSSMESA-N 0 1 291.782 3.939 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H](C)Sc2ccccc2)n1 ZINC000339391153 519380718 /nfs/dbraw/zinc/38/07/18/519380718.db2.gz KZHIESHWLKGRON-AAEUAGOBSA-N 0 1 291.420 3.969 20 0 CHADMN CC(C)Cc1ccc([C@H](NCc2ccn(C)n2)C2CC2)cc1 ZINC000294968074 519449914 /nfs/dbraw/zinc/44/99/14/519449914.db2.gz KQNNJBPZXIFTFL-IBGZPJMESA-N 0 1 297.446 3.860 20 0 CHADMN CC(C)Cc1ncc(CN[C@H](C)c2cccnc2)s1 ZINC000161960039 519463618 /nfs/dbraw/zinc/46/36/18/519463618.db2.gz XZDFCDWISNFFOF-GFCCVEGCSA-N 0 1 275.421 3.587 20 0 CHADMN CC(C)Cn1cc(CNC(C)(C)c2ccccc2F)cn1 ZINC000291706095 519505068 /nfs/dbraw/zinc/50/50/68/519505068.db2.gz KSBXLAADJGRBLN-UHFFFAOYSA-N 0 1 289.398 3.703 20 0 CHADMN CC(C)N(C(=O)CN1CCC[C@@H]1c1cccs1)C(C)C ZINC000061781088 519553139 /nfs/dbraw/zinc/55/31/39/519553139.db2.gz IKGWOAJJXAVNHL-CQSZACIVSA-N 0 1 294.464 3.530 20 0 CHADMN CC(C)N(C)c1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cn1 ZINC000276782149 519631977 /nfs/dbraw/zinc/63/19/77/519631977.db2.gz QZYZYDLJZLBHFS-QGZVFWFLSA-N 0 1 298.434 3.591 20 0 CHADMN CC(C)CCN1Cc2cccc(NC(=O)C(C)C)c2C1 ZINC000102734125 519654583 /nfs/dbraw/zinc/65/45/83/519654583.db2.gz JPJLIWGQIDWGRQ-UHFFFAOYSA-N 0 1 274.408 3.643 20 0 CHADMN CC(C)N(Cc1nnc(-c2ccccc2)s1)C1CCC1 ZINC000155568996 519664615 /nfs/dbraw/zinc/66/46/15/519664615.db2.gz LZUNUVPTPWYTNT-UHFFFAOYSA-N 0 1 287.432 3.968 20 0 CHADMN CC(C)CN(C(=O)c1cccc2n[nH]cc21)C1CCCC1 ZINC000299352938 519707461 /nfs/dbraw/zinc/70/74/61/519707461.db2.gz HHTDUGTUTYMVAI-UHFFFAOYSA-N 0 1 285.391 3.604 20 0 CHADMN CC(C)Oc1ccc([C@H](C)NCc2cncs2)cc1 ZINC000054770583 519781724 /nfs/dbraw/zinc/78/17/24/519781724.db2.gz KUCLMRWWUPJWBX-LBPRGKRZSA-N 0 1 276.405 3.781 20 0 CHADMN CC(C)[C@H](NCc1nccn1C(C)C)c1ccccc1 ZINC000299580370 519821184 /nfs/dbraw/zinc/82/11/84/519821184.db2.gz INDNHABWTLPYGN-KRWDZBQOSA-N 0 1 271.408 3.951 20 0 CHADMN CC(C)c1ccc(NC(=O)c2ccc3cncn3c2)cc1 ZINC000339888742 519837720 /nfs/dbraw/zinc/83/77/20/519837720.db2.gz DMXXESRZRMJNDQ-UHFFFAOYSA-N 0 1 279.343 3.710 20 0 CHADMN CCC1(CN[C@@H](c2ncc[nH]2)c2cccnc2)CCCCC1 ZINC000280146979 519843061 /nfs/dbraw/zinc/84/30/61/519843061.db2.gz PZTMJGPPXFVKPY-MRXNPFEDSA-N 0 1 298.434 3.844 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC[C@H]1C ZINC000247462569 519846264 /nfs/dbraw/zinc/84/62/64/519846264.db2.gz IMCLNLKNCNTHSS-ZIAGYGMSSA-N 0 1 274.408 3.621 20 0 CHADMN CC(C)c1nc(CN[C@H](C)c2ccc(F)cc2Cl)n[nH]1 ZINC000293118509 519864289 /nfs/dbraw/zinc/86/42/89/519864289.db2.gz KIORISXGIWNEIL-SECBINFHSA-N 0 1 296.777 3.571 20 0 CHADMN CCCC(=O)Nc1ccc(CNCc2occc2C)cc1 ZINC000266166667 519877833 /nfs/dbraw/zinc/87/78/33/519877833.db2.gz AXJDLSQFERDKPH-UHFFFAOYSA-N 0 1 286.375 3.616 20 0 CHADMN CCCCC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000072048860 519908271 /nfs/dbraw/zinc/90/82/71/519908271.db2.gz NBQIYXXBYDBURT-HNNXBMFYSA-N 0 1 285.391 3.725 20 0 CHADMN CC(C)n1nccc1CN1CC[C@H](C(F)(F)F)C1(C)C ZINC000337208123 520103648 /nfs/dbraw/zinc/10/36/48/520103648.db2.gz PXUAXTSCEMJEFF-LBPRGKRZSA-N 0 1 289.345 3.627 20 0 CHADMN CC(C)n1nccc1CN1CC[C@H](c2ccccc2F)C1 ZINC000337196978 520104079 /nfs/dbraw/zinc/10/40/79/520104079.db2.gz WTBFOPNLHSNUTL-AWEZNQCLSA-N 0 1 287.382 3.593 20 0 CHADMN CCCCCCc1csc([C@@H]2CN3CCC[C@H]3CO2)n1 ZINC000364837877 520137525 /nfs/dbraw/zinc/13/75/25/520137525.db2.gz ICYBTXRVAVYDHW-GJZGRUSLSA-N 0 1 294.464 3.802 20 0 CHADMN CCCCCN(C(=O)c1coc(CN)c1)[C@H](C)CCC ZINC000187531571 520146865 /nfs/dbraw/zinc/14/68/65/520146865.db2.gz TUBBDVZNGFZTJO-CYBMUJFWSA-N 0 1 280.412 3.559 20 0 CHADMN Fc1ccc(CN[C@@H]2CCCCc3ccccc32)nc1 ZINC000334859054 534469138 /nfs/dbraw/zinc/46/91/38/534469138.db2.gz BWFVMMGGMAJQEN-QGZVFWFLSA-N 0 1 270.351 3.778 20 0 CHADMN CCCCCN(Cc1ncc(C2CC2)o1)C(C)C ZINC000340662073 520177664 /nfs/dbraw/zinc/17/76/64/520177664.db2.gz KOYBQOAFIIEKAH-UHFFFAOYSA-N 0 1 250.386 3.953 20 0 CHADMN CCOCc1ccc(CNCc2ccc(CC)o2)cc1 ZINC000130505512 520194742 /nfs/dbraw/zinc/19/47/42/520194742.db2.gz PBQPGZAAKLSYPM-UHFFFAOYSA-N 0 1 273.376 3.668 20 0 CHADMN CCCOc1ccc(CNCc2occc2C)cc1OC ZINC000266190229 520368782 /nfs/dbraw/zinc/36/87/82/520368782.db2.gz IMSSSZJMXGSFCP-UHFFFAOYSA-N 0 1 289.375 3.675 20 0 CHADMN CCCOc1cccc(CNCc2ccccc2F)c1 ZINC000037996747 520455949 /nfs/dbraw/zinc/45/59/49/520455949.db2.gz PGXDQVVQNAJRMB-UHFFFAOYSA-N 0 1 273.351 3.904 20 0 CHADMN Cc1nocc1CN1CCC[C@H]1/C=C\c1ccccc1 ZINC000352869650 534495079 /nfs/dbraw/zinc/49/50/79/534495079.db2.gz XNDGAWIOBHGFPQ-IBSYWUHOSA-N 0 1 268.360 3.661 20 0 CHADMN CC1(C)CN(Cc2ccc3ccccc3n2)[C@H]1[C@@H]1CCCO1 ZINC000289772719 520480363 /nfs/dbraw/zinc/48/03/63/520480363.db2.gz MENRGEBUWAMSSI-ROUUACIJSA-N 0 1 296.414 3.624 20 0 CHADMN CCO[C@H](CN[C@H](C)c1csc(C)n1)c1ccccc1 ZINC000278188418 520521762 /nfs/dbraw/zinc/52/17/62/520521762.db2.gz BWLYXDYSFHMIQM-MLGOLLRUSA-N 0 1 290.432 3.880 20 0 CHADMN CC1(C)C[C@@H]1NCc1csc(COc2ccccc2)n1 ZINC000264937948 520542762 /nfs/dbraw/zinc/54/27/62/520542762.db2.gz DYFOCMUIHIWACN-AWEZNQCLSA-N 0 1 288.416 3.610 20 0 CHADMN CCN(CC)Cc1nc(-c2cccs2)oc1C ZINC000252017814 520762894 /nfs/dbraw/zinc/76/28/94/520762894.db2.gz WOSVHBWODQUQBG-UHFFFAOYSA-N 0 1 250.367 3.553 20 0 CHADMN Cc1ccc2ncc(CN3Cc4ccccc4C[C@H]3C)n2c1 ZINC000353655774 534519335 /nfs/dbraw/zinc/51/93/35/534519335.db2.gz QLAQOKPHJGXSRC-OAHLLOKOSA-N 0 1 291.398 3.590 20 0 CHADMN CCCCOc1ccc(CNCc2cnc(C)s2)cc1 ZINC000040997531 520879626 /nfs/dbraw/zinc/87/96/26/520879626.db2.gz ICILBQHEFYSPGT-UHFFFAOYSA-N 0 1 290.432 3.920 20 0 CHADMN CCOc1ccc(CNCc2ccccc2F)cc1 ZINC000019949627 521005339 /nfs/dbraw/zinc/00/53/39/521005339.db2.gz UBEKJZDBWMTLGO-UHFFFAOYSA-N 0 1 259.324 3.514 20 0 CHADMN Fc1ccccc1[C@H](F)C1CCN(Cc2ccno2)CC1 ZINC000367150005 534535192 /nfs/dbraw/zinc/53/51/92/534535192.db2.gz ARVLAIABOPRPHP-MRXNPFEDSA-N 0 1 292.329 3.737 20 0 CHADMN CCN(CCSC)Cc1ccccc1Br ZINC000340671868 521155528 /nfs/dbraw/zinc/15/55/28/521155528.db2.gz BSGXKEJYGIWUGS-UHFFFAOYSA-N 0 1 288.254 3.634 20 0 CHADMN CCN(Cc1ccc2ccccc2c1)Cc1cc(C)ncn1 ZINC000292154236 521335719 /nfs/dbraw/zinc/33/57/19/521335719.db2.gz JSVDYLINZQERBJ-UHFFFAOYSA-N 0 1 291.398 3.960 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2ccc(C)o2)c1 ZINC000063319405 521411229 /nfs/dbraw/zinc/41/12/29/521411229.db2.gz NVQCYPQVHXGQOI-CYBMUJFWSA-N 0 1 259.349 3.838 20 0 CHADMN CCCc1nc(C)c(CN[C@H](C)c2cccs2)o1 ZINC000293330716 521500126 /nfs/dbraw/zinc/50/01/26/521500126.db2.gz GAQVFTZSWMUONQ-LLVKDONJSA-N 0 1 264.394 3.848 20 0 CHADMN CCCN(Cc1csc(C)n1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000340853396 521692901 /nfs/dbraw/zinc/69/29/01/521692901.db2.gz VSFPPZUYXJHMEH-HUUCEWRRSA-N 0 1 296.480 3.867 20 0 CHADMN CCCN(Cc1nccn1C)[C@@H](CC)c1ccccc1 ZINC000263797182 521694517 /nfs/dbraw/zinc/69/45/17/521694517.db2.gz NILUSLCQZIERBS-INIZCTEOSA-N 0 1 271.408 3.783 20 0 CHADMN CCSCCN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000278904954 521708958 /nfs/dbraw/zinc/70/89/58/521708958.db2.gz KDJJUJIWGPRYPO-ZETCQYMHSA-N 0 1 284.372 3.566 20 0 CHADMN CCS[C@@H](c1nc([C@@H](N)CC(C)C)no1)C(C)C ZINC000339390024 521722641 /nfs/dbraw/zinc/72/26/41/521722641.db2.gz GICQSAANCBZVOB-WDEREUQCSA-N 0 1 271.430 3.566 20 0 CHADMN CCS[C@@H]1CCC[C@H]1NCc1cc(-c2ccco2)on1 ZINC000298437246 521726593 /nfs/dbraw/zinc/72/65/93/521726593.db2.gz GTHSCJROJYFLAR-IUODEOHRSA-N 0 1 292.404 3.698 20 0 CHADMN CCSc1cc(CNCc2cc(C)ccc2F)ccn1 ZINC000275071303 521733998 /nfs/dbraw/zinc/73/39/98/521733998.db2.gz WGONBGUJWPMQKT-UHFFFAOYSA-N 0 1 290.407 3.931 20 0 CHADMN CC[C@H](C)Oc1cccc(NC(=O)c2cn[nH]c2C2CC2)c1 ZINC000276421008 521777928 /nfs/dbraw/zinc/77/79/28/521777928.db2.gz HEYSJZRKTCNUTL-NSHDSACASA-N 0 1 299.374 3.717 20 0 CHADMN CCc1ccccc1CN1CCC(C(=O)C(F)(F)F)CC1 ZINC000275547838 521825918 /nfs/dbraw/zinc/82/59/18/521825918.db2.gz BJQXVFIHTKMCQD-UHFFFAOYSA-N 0 1 299.336 3.592 20 0 CHADMN COCC[C@@H](N[C@@H](C)c1ccccc1)c1ccco1 ZINC000272373693 521861977 /nfs/dbraw/zinc/86/19/77/521861977.db2.gz AJSGBDQBUBPTFJ-DZGCQCFKSA-N 0 1 259.349 3.708 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2ccc(C)c(C)c2)n[nH]1 ZINC000276768325 522051317 /nfs/dbraw/zinc/05/13/17/522051317.db2.gz AYSFTJDZGMYHRH-SMDDNHRTSA-N 0 1 286.423 3.786 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2ccccc2)n[nH]1 ZINC000277371963 522052517 /nfs/dbraw/zinc/05/25/17/522052517.db2.gz WZEVKSXMGCPJFB-RWMBFGLXSA-N 0 1 272.396 3.730 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2ccsc2)n[nH]1 ZINC000277083184 522055396 /nfs/dbraw/zinc/05/53/96/522055396.db2.gz FUVQLPXNTBYHJB-DCAQKATOSA-N 0 1 278.425 3.792 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2cccs2)n[nH]1 ZINC000277249957 522057089 /nfs/dbraw/zinc/05/70/89/522057089.db2.gz NWHNXLXVLRVOFR-AXFHLTTASA-N 0 1 278.425 3.792 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2ccccc2Cl)n[nH]1 ZINC000277055877 522057261 /nfs/dbraw/zinc/05/72/61/522057261.db2.gz BCGMHSNGFRWRNJ-QWRGUYRKSA-N 0 1 292.814 3.822 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@@H](C)c1ccncc1F ZINC000340317582 522089621 /nfs/dbraw/zinc/08/96/21/522089621.db2.gz QMIDDZPVLKWORL-RYUDHWBXSA-N 0 1 273.355 3.590 20 0 CHADMN CCc1nc(C)c([C@@H](C)N(C)Cc2ccncc2)s1 ZINC000130837997 522219333 /nfs/dbraw/zinc/21/93/33/522219333.db2.gz LSWLVDVDNALRCL-GFCCVEGCSA-N 0 1 275.421 3.602 20 0 CHADMN COC(=O)c1coc(CN[C@H]2CCCc3ccc(C)cc32)c1 ZINC000290125948 522370981 /nfs/dbraw/zinc/37/09/81/522370981.db2.gz JHUKSUNYMRCKBW-KRWDZBQOSA-N 0 1 299.370 3.542 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2cccc(Cl)c2)n[nH]1 ZINC000277549092 522441491 /nfs/dbraw/zinc/44/14/91/522441491.db2.gz ZYBRPQBQUAYARA-MNOVXSKESA-N 0 1 292.814 3.822 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccccc2SC)ccn1 ZINC000194843977 522475275 /nfs/dbraw/zinc/47/52/75/522475275.db2.gz CXACRFZJYIHIQP-LBPRGKRZSA-N 0 1 288.416 3.663 20 0 CHADMN CC[C@@H](CNCc1csc(-c2ccc(C)cc2)n1)OC ZINC000289931543 522549433 /nfs/dbraw/zinc/54/94/33/522549433.db2.gz WFGAWBHYLVVNQX-HNNXBMFYSA-N 0 1 290.432 3.633 20 0 CHADMN CC[C@@H](CSC)NCc1csc(C(C)(C)C)n1 ZINC000163872683 522615584 /nfs/dbraw/zinc/61/55/84/522615584.db2.gz LGNAVCVBYBQYTL-JTQLQIEISA-N 0 1 272.483 3.672 20 0 CHADMN CC[C@H](NCc1cccnc1OC)c1ccc(C)cc1 ZINC000037650382 522661021 /nfs/dbraw/zinc/66/10/21/522661021.db2.gz IHDNFTKUFGIXQO-INIZCTEOSA-N 0 1 270.376 3.640 20 0 CHADMN CC[C@H](NCc1cn2ccccc2n1)c1ccc(F)cc1 ZINC000340396021 522664452 /nfs/dbraw/zinc/66/44/52/522664452.db2.gz RZKCFSYWHUIESX-INIZCTEOSA-N 0 1 283.350 3.714 20 0 CHADMN CC[C@H](NCc1ncccc1C)c1ccc(OC)cc1 ZINC000071339319 522671606 /nfs/dbraw/zinc/67/16/06/522671606.db2.gz FGEXYLRXGSBAEX-INIZCTEOSA-N 0 1 270.376 3.640 20 0 CHADMN CC[C@H](N[C@H](C)c1ccc(Cl)cn1)c1ccncc1 ZINC000274865594 522737916 /nfs/dbraw/zinc/73/79/16/522737916.db2.gz DTWJHLLPAWFZPO-RISCZKNCSA-N 0 1 275.783 3.932 20 0 CHADMN CC[C@@H](NC1CC(F)(F)C1)c1ccc(F)cc1F ZINC000277136348 522810019 /nfs/dbraw/zinc/81/00/19/522810019.db2.gz OWBHYYACCCPWRJ-GFCCVEGCSA-N 0 1 261.262 3.803 20 0 CHADMN COc1cc([C@H](C)Nc2ccnc3cc(F)ccc32)ccn1 ZINC000340939390 522949377 /nfs/dbraw/zinc/94/93/77/522949377.db2.gz RJFYVXDNSQIKSZ-NSHDSACASA-N 0 1 297.333 3.951 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000227823637 523089494 /nfs/dbraw/zinc/08/94/94/523089494.db2.gz MBSAAIRDUQUSOG-ZFWWWQNUSA-N 0 1 281.783 3.588 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1cn(C(C)C)nc1C ZINC000290551500 523119435 /nfs/dbraw/zinc/11/94/35/523119435.db2.gz RVEHVYIXCSVLFH-KRWDZBQOSA-N 0 1 286.423 3.751 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1cc(O)cc(F)c1 ZINC000290347334 523119461 /nfs/dbraw/zinc/11/94/61/523119461.db2.gz FWHWBVZJQGWHPM-INIZCTEOSA-N 0 1 274.339 3.509 20 0 CHADMN COc1ccc(-c2nc(CN3CCC(C)(C)C3)co2)cc1 ZINC000076012878 523201278 /nfs/dbraw/zinc/20/12/78/523201278.db2.gz PYQUVGIMMNBEGR-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN CC[C@@H]1CCN(Cc2csc(-c3ccco3)n2)C1 ZINC000125753933 523331527 /nfs/dbraw/zinc/33/15/27/523331527.db2.gz KQRPMMFCADBPDB-LLVKDONJSA-N 0 1 262.378 3.635 20 0 CHADMN CO[C@@H](C)[C@@H](C)NCc1csc(Cl)c1Cl ZINC000308899760 523430774 /nfs/dbraw/zinc/43/07/74/523430774.db2.gz BBAVTKUUAIMDKW-RQJHMYQMSA-N 0 1 268.209 3.568 20 0 CHADMN CO[C@@H](C)[C@@H](C)NCc1csc(-c2ccc(C)cc2)n1 ZINC000289819802 523431894 /nfs/dbraw/zinc/43/18/94/523431894.db2.gz NOOIZZKCTWACJM-OLZOCXBDSA-N 0 1 290.432 3.632 20 0 CHADMN CO[C@@H](C)[C@H](C)NCc1csc(Cl)c1Cl ZINC000308899752 523441362 /nfs/dbraw/zinc/44/13/62/523441362.db2.gz BBAVTKUUAIMDKW-BQBZGAKWSA-N 0 1 268.209 3.568 20 0 CHADMN CC[C@]1(C)CCCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000075998284 523561071 /nfs/dbraw/zinc/56/10/71/523561071.db2.gz VMQNTXDYFWRONF-QGZVFWFLSA-N 0 1 285.391 3.749 20 0 CHADMN CO[C@H](C)[C@H](C)NCc1csc(-c2ccc(C)cc2)n1 ZINC000189104208 523898299 /nfs/dbraw/zinc/89/82/99/523898299.db2.gz NOOIZZKCTWACJM-QWHCGFSZSA-N 0 1 290.432 3.632 20 0 CHADMN Cc1ncc(CN[C@@H](c2ccccc2F)C2CCCC2)cn1 ZINC000351760648 534743148 /nfs/dbraw/zinc/74/31/48/534743148.db2.gz VNDLAVUOKUTCOU-GOSISDBHSA-N 0 1 299.393 3.945 20 0 CHADMN CO[C@H](CN1CC=C(C(F)(F)F)CC1)c1ccccc1 ZINC000338565631 523933889 /nfs/dbraw/zinc/93/38/89/523933889.db2.gz BUSGZAKPQACUBJ-CQSZACIVSA-N 0 1 285.309 3.569 20 0 CHADMN Cc1coc2ccc(NS(=O)(=O)c3ccsc3)cc12 ZINC000350895327 534752714 /nfs/dbraw/zinc/75/27/14/534752714.db2.gz KPJMYZKSEZSPMW-UHFFFAOYSA-N 0 1 293.369 3.604 20 0 CHADMN CCc1ccc([C@H](C)NCc2cnc([C@H](C)O)s2)cc1 ZINC000289367212 524046026 /nfs/dbraw/zinc/04/60/26/524046026.db2.gz ZHNDVSXPOPIYFO-RYUDHWBXSA-N 0 1 290.432 3.610 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cccnc2)cc1Cl ZINC000086583781 524083663 /nfs/dbraw/zinc/08/36/63/524083663.db2.gz FUAFIWAXTQWQBS-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cccs2)c(OC)c1 ZINC000020148163 524084027 /nfs/dbraw/zinc/08/40/27/524084027.db2.gz INQSXGYSODTLFJ-NSHDSACASA-N 0 1 277.389 3.616 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(C)oc2C)cc1F ZINC000044730001 524089125 /nfs/dbraw/zinc/08/91/25/524089125.db2.gz VUBIVZHENLOZOJ-LLVKDONJSA-N 0 1 277.339 3.895 20 0 CHADMN C[C@H]1CCCN(Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000057829876 524099171 /nfs/dbraw/zinc/09/91/71/524099171.db2.gz CQXDMKAAHVNMIF-NSHDSACASA-N 0 1 291.782 3.622 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCC3(CC3)CC2)c1 ZINC000366687857 524151578 /nfs/dbraw/zinc/15/15/78/524151578.db2.gz RKGCLAQHSRINTI-OAHLLOKOSA-N 0 1 286.419 3.506 20 0 CHADMN COc1cccc([C@H]2CCCN2Cc2ccnn2C(C)C)c1 ZINC000279576936 524177752 /nfs/dbraw/zinc/17/77/52/524177752.db2.gz GMUDRHWLXVNWRF-GOSISDBHSA-N 0 1 299.418 3.810 20 0 CHADMN Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000062133990 524198122 /nfs/dbraw/zinc/19/81/22/524198122.db2.gz HJQFEQPOLTZUGZ-AWEZNQCLSA-N 0 1 289.419 3.507 20 0 CHADMN Cc1ccc(C)c([C@H]2CCCN2Cc2ncc(C)cn2)c1 ZINC000340688987 524212395 /nfs/dbraw/zinc/21/23/95/524212395.db2.gz HEKGUANBGFREBB-QGZVFWFLSA-N 0 1 281.403 3.739 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN(C)C1CCC1 ZINC000075841875 524231761 /nfs/dbraw/zinc/23/17/61/524231761.db2.gz GKQTUQHMZBBNFI-UHFFFAOYSA-N 0 1 274.408 3.541 20 0 CHADMN COc1ccc(F)c(CNCc2cnc3ccccc3c2)c1 ZINC000339221121 524279114 /nfs/dbraw/zinc/27/91/14/524279114.db2.gz UMUQZPZKGJFYEI-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN C[C@H](CN(C)Cc1ccon1)c1cccc(Cl)c1 ZINC000275704733 524300228 /nfs/dbraw/zinc/30/02/28/524300228.db2.gz LAOQQDPQABAPAP-LLVKDONJSA-N 0 1 264.756 3.564 20 0 CHADMN COc1ccc(F)cc1CN1CC[C@@H](CC(F)(F)F)C1 ZINC000278706013 524311261 /nfs/dbraw/zinc/31/12/61/524311261.db2.gz JWHGJACANOMIGI-JTQLQIEISA-N 0 1 291.288 3.609 20 0 CHADMN COc1ccccc1/C=C/CN1CCC[C@H]1c1ccncc1 ZINC000289729751 524317236 /nfs/dbraw/zinc/31/72/36/524317236.db2.gz HTNNZYVZPNWGFL-UKTKYZJWSA-N 0 1 294.398 3.941 20 0 CHADMN Cc1ccc(CN(C)CCO[C@@H]2CCCC[C@@H]2C)o1 ZINC000338404468 524391733 /nfs/dbraw/zinc/39/17/33/524391733.db2.gz BZOZSRXBBZQOBW-XJKSGUPXSA-N 0 1 265.397 3.615 20 0 CHADMN Cc1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)nc1 ZINC000156307815 524418784 /nfs/dbraw/zinc/41/87/84/524418784.db2.gz VMWQIUMLQCQBAA-LJQANCHMSA-N 0 1 296.414 3.571 20 0 CHADMN COc1ccccc1CN(Cc1cccnc1)C(C)C ZINC000339289065 524442350 /nfs/dbraw/zinc/44/23/50/524442350.db2.gz DCCFVLQCHNKHPQ-UHFFFAOYSA-N 0 1 270.376 3.501 20 0 CHADMN Cc1cccc(NC[C@@H]2CCCO[C@H]2C(C)(C)C)n1 ZINC000157625420 524679542 /nfs/dbraw/zinc/67/95/42/524679542.db2.gz XIEQFYGGEQTLGZ-DZGCQCFKSA-N 0 1 262.397 3.643 20 0 CHADMN Cc1cc(CN[C@@H]2CC[C@H](C)c3ccccc32)on1 ZINC000125636225 524773103 /nfs/dbraw/zinc/77/31/03/524773103.db2.gz YBPDUWPZOSMEFU-MEDUHNTESA-N 0 1 256.349 3.711 20 0 CHADMN COc1ccccc1[C@H](C)NCc1ccccc1N(C)C ZINC000263842880 524780242 /nfs/dbraw/zinc/78/02/42/524780242.db2.gz IEAAXCIJFIYEPT-AWEZNQCLSA-N 0 1 284.403 3.612 20 0 CHADMN COc1ccncc1CN[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000340410031 524855606 /nfs/dbraw/zinc/85/56/06/524855606.db2.gz YSCLNOUUPLEGFX-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN Cc1cccc([C@H]2CCCN2CC(=O)Nc2ccccc2)c1 ZINC000055911252 524896714 /nfs/dbraw/zinc/89/67/14/524896714.db2.gz ZUSYONJFMOHJII-GOSISDBHSA-N 0 1 294.398 3.771 20 0 CHADMN C[C@H]1C[C@H](c2cccc(F)c2)N(Cc2cncs2)C1 ZINC000093531764 524940000 /nfs/dbraw/zinc/94/00/00/524940000.db2.gz BJABJYJPPNBNID-XHDPSFHLSA-N 0 1 276.380 3.865 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNCc2ccc(F)cc2)o1 ZINC000019943510 524971378 /nfs/dbraw/zinc/97/13/78/524971378.db2.gz DPILMCNBWPUGPU-XHDPSFHLSA-N 0 1 259.324 3.832 20 0 CHADMN C[C@@H]1CN(Cc2cnc(-c3ccccc3)[nH]2)CCC1(F)F ZINC000291587287 524981306 /nfs/dbraw/zinc/98/13/06/524981306.db2.gz PMENRNMDZRXHPZ-GFCCVEGCSA-N 0 1 291.345 3.554 20 0 CHADMN C[C@@H]1CN(Cc2cnc3ccccc3c2)CCC1(F)F ZINC000290002643 525026971 /nfs/dbraw/zinc/02/69/71/525026971.db2.gz ZDPWOHHAMYKFFJ-GFCCVEGCSA-N 0 1 276.330 3.712 20 0 CHADMN COc1ncccc1CN[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000151170315 525059244 /nfs/dbraw/zinc/05/92/44/525059244.db2.gz RCFUGDFWNBAWGQ-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN COc1ncccc1CN[C@H](C)c1cccc(Cl)c1 ZINC000037650430 525063673 /nfs/dbraw/zinc/06/36/73/525063673.db2.gz AUPIAKFAKTZLDT-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cccnc2)c(F)c1 ZINC000037228953 525160138 /nfs/dbraw/zinc/16/01/38/525160138.db2.gz YCYCMUAQNZKNCR-NWDGAFQWSA-N 0 1 274.339 3.641 20 0 CHADMN CSC1(CNCc2cc(-c3ccccc3)on2)CCC1 ZINC000290788895 525333815 /nfs/dbraw/zinc/33/38/15/525333815.db2.gz CWUSWGHCGSPOGT-UHFFFAOYSA-N 0 1 288.416 3.717 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2cn(C(C)C)nn2)C1 ZINC000289494219 525394298 /nfs/dbraw/zinc/39/42/98/525394298.db2.gz CTINYTUGLBRHJX-JKSUJKDBSA-N 0 1 298.434 3.545 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2nnc(C(C)C)o2)C1 ZINC000076387211 525394816 /nfs/dbraw/zinc/39/48/16/525394816.db2.gz JWQUZVIMORYXJK-LSDHHAIUSA-N 0 1 299.418 3.879 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2ncnn2C(C)C)C1 ZINC000279960966 525395036 /nfs/dbraw/zinc/39/50/36/525395036.db2.gz IGYNCVAEYDJCHT-JKSUJKDBSA-N 0 1 298.434 3.545 20 0 CHADMN Cc1ccccc1[C@H]1CCN(Cc2cn3ccsc3n2)C1 ZINC000339252341 525440048 /nfs/dbraw/zinc/44/00/48/525440048.db2.gz GAOSCCWTOQVFEB-AWEZNQCLSA-N 0 1 297.427 3.694 20 0 CHADMN C[C@H](NCc1ccc(OC(F)(F)F)cc1)c1ccccn1 ZINC000020123283 525447523 /nfs/dbraw/zinc/44/75/23/525447523.db2.gz NLGSYTVFULKKKX-NSHDSACASA-N 0 1 296.292 3.831 20 0 CHADMN C[C@H](NCc1cccc(Cl)c1)c1cncs1 ZINC000131900060 525456123 /nfs/dbraw/zinc/45/61/23/525456123.db2.gz VGECKHPUPYKZAV-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN C[C@@H](NC[C@@H]1CC=CCC1)c1noc(-c2ccccc2)n1 ZINC000124869214 525479578 /nfs/dbraw/zinc/47/95/78/525479578.db2.gz WPVHUVSGFSQHRV-ZIAGYGMSSA-N 0 1 283.375 3.744 20 0 CHADMN C[C@H](NCc1cncs1)c1cccc(OC(F)F)c1 ZINC000054770610 525480185 /nfs/dbraw/zinc/48/01/85/525480185.db2.gz QSJQUCCEHVFJOJ-VIFPVBQESA-N 0 1 284.331 3.595 20 0 CHADMN C[C@@H](NC[C@@](C)(O)c1ccccc1)c1c(F)cccc1F ZINC000264899816 525488277 /nfs/dbraw/zinc/48/82/77/525488277.db2.gz VVGCFQYIUCROKL-SJKOYZFVSA-N 0 1 291.341 3.523 20 0 CHADMN Cc1cc([C@H](C)NCCc2c(C)oc3ccccc32)no1 ZINC000353634473 525517725 /nfs/dbraw/zinc/51/77/25/525517725.db2.gz KXKQKHVKOFBONH-LBPRGKRZSA-N 0 1 284.359 3.931 20 0 CHADMN Cc1cc([C@H](C)NCc2cnc(C)s2)c(C)o1 ZINC000040997579 525523010 /nfs/dbraw/zinc/52/30/10/525523010.db2.gz OZFGZPVTSJMOKJ-VIFPVBQESA-N 0 1 250.367 3.512 20 0 CHADMN Cc1cc([C@H](C)NCc2n[nH]c(C(C)(C)C)n2)c(C)s1 ZINC000293021499 525523613 /nfs/dbraw/zinc/52/36/13/525523613.db2.gz VJRRVMCYOPQFFI-JTQLQIEISA-N 0 1 292.452 3.631 20 0 CHADMN C[C@H](N[C@@H](C)[C@H]1OCCc2sccc21)c1ccco1 ZINC000292008325 525527055 /nfs/dbraw/zinc/52/70/55/525527055.db2.gz YJNSQGMFORHXJX-ZIBATOQPSA-N 0 1 277.389 3.694 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccc1F)c1cccc(O)c1 ZINC000037151465 525534783 /nfs/dbraw/zinc/53/47/83/525534783.db2.gz SDWKUKYAIOFPBX-RYUDHWBXSA-N 0 1 259.324 3.943 20 0 CHADMN C[C@@H](NCc1ccccc1OC(F)F)c1cccnc1 ZINC000020131639 525539853 /nfs/dbraw/zinc/53/98/53/525539853.db2.gz OGHLKNPIURRWCN-LLVKDONJSA-N 0 1 278.302 3.534 20 0 CHADMN C[C@@H](NCc1ccn(C)n1)c1ccc(F)c2ccccc21 ZINC000340316446 525543001 /nfs/dbraw/zinc/54/30/01/525543001.db2.gz GKGMJOJLNVYNHD-GFCCVEGCSA-N 0 1 283.350 3.563 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1ccc(C)s1)CCO2 ZINC000050225341 525575837 /nfs/dbraw/zinc/57/58/37/525575837.db2.gz NLCCYWLHXZOCJA-HNNXBMFYSA-N 0 1 289.400 3.679 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1ccccn1 ZINC000037118488 525626637 /nfs/dbraw/zinc/62/66/37/525626637.db2.gz FBRUIOCRGQBTTO-HNNXBMFYSA-N 0 1 270.376 3.786 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc2c(c1)CCC2 ZINC000271490682 525627556 /nfs/dbraw/zinc/62/75/56/525627556.db2.gz OWRYKOFIDLAUFU-YJYMSZOUSA-N 0 1 299.389 3.699 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)c1 ZINC000338675714 525630502 /nfs/dbraw/zinc/63/05/02/525630502.db2.gz MFGHACLQZKCPEP-SWLSCSKDSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(CC2CCC2)C(C)C)c1 ZINC000278200016 525631548 /nfs/dbraw/zinc/63/15/48/525631548.db2.gz SEFRIFIBKHHVCS-UHFFFAOYSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@@H]2CC(C)C)c1 ZINC000338667436 525631668 /nfs/dbraw/zinc/63/16/68/525631668.db2.gz MDFVEQBVFRRJMZ-CQSZACIVSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)N2C[C@H](C)c3ccccc32)c1 ZINC000338671082 525632042 /nfs/dbraw/zinc/63/20/42/525632042.db2.gz FBCPSYZXCDPVMY-LBPRGKRZSA-N 0 1 291.354 3.635 20 0 CHADMN C[C@@H](N[C@@H]1CSc2ccccc21)c1cccc(O)c1 ZINC000156271290 525652402 /nfs/dbraw/zinc/65/24/02/525652402.db2.gz CIQGAPUTPFNOTJ-IAQYHMDHSA-N 0 1 271.385 3.890 20 0 CHADMN C[C@@H](N[C@H](C)c1csc(Cl)c1)c1cnn(C)c1 ZINC000276384901 525664304 /nfs/dbraw/zinc/66/43/04/525664304.db2.gz QPLJUWLMZMNWFS-RKDXNWHRSA-N 0 1 269.801 3.547 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)C1CC1)c1nccs1 ZINC000080265202 525669886 /nfs/dbraw/zinc/66/98/86/525669886.db2.gz GDSGRGCTSCAWFH-BXUZGUMPSA-N 0 1 258.390 3.945 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c(O)cccc21)c1ccccn1 ZINC000192354650 525679294 /nfs/dbraw/zinc/67/92/94/525679294.db2.gz HPSIWIUJCPNWFM-WBMJQRKESA-N 0 1 268.360 3.515 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c1cnn2C)c1ccc(Cl)s1 ZINC000036992460 525679641 /nfs/dbraw/zinc/67/96/41/525679641.db2.gz CYTUFOGECISSFE-KOLCDFICSA-N 0 1 295.839 3.863 20 0 CHADMN C[C@@H](N[C@H]1C[C@H](c2ccccc2F)C1)c1cscn1 ZINC000280882577 525695377 /nfs/dbraw/zinc/69/53/77/525695377.db2.gz PIPDXZMCAIWGEM-IJLUTSLNSA-N 0 1 276.380 3.879 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ncccc2N(C)C)cc1C ZINC000289991834 525735887 /nfs/dbraw/zinc/73/58/87/525735887.db2.gz YMLVSJSYONEAAK-OAHLLOKOSA-N 0 1 283.419 3.615 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cn3ccccc3n2)s1 ZINC000042320797 525735940 /nfs/dbraw/zinc/73/59/40/525735940.db2.gz GSNCCENWKHKRAD-GFCCVEGCSA-N 0 1 271.389 3.555 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)o1 ZINC000268720462 525741831 /nfs/dbraw/zinc/74/18/31/525741831.db2.gz KPXSEKQIGGVWJO-QWHCGFSZSA-N 0 1 298.386 3.519 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CC[C@@H](C)[C@H](C)C2)s1 ZINC000353538327 534879961 /nfs/dbraw/zinc/87/99/61/534879961.db2.gz GYQAZOVVRUDHFO-RKDXNWHRSA-N 0 1 292.370 3.948 20 0 CHADMN CS[C@@H](C)CNCc1csc(-c2ccc(F)cc2)n1 ZINC000127987636 525808698 /nfs/dbraw/zinc/80/86/98/525808698.db2.gz VIDWAPPLIXTTKT-JTQLQIEISA-N 0 1 296.436 3.790 20 0 CHADMN CS[C@H](C)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000299504899 525858302 /nfs/dbraw/zinc/85/83/02/525858302.db2.gz HIIRAYYUSNRKKU-SECBINFHSA-N 0 1 289.404 3.520 20 0 CHADMN Cc1ccc([C@H](C)NCc2ncccc2N(C)C)cc1C ZINC000289991830 525931082 /nfs/dbraw/zinc/93/10/82/525931082.db2.gz YMLVSJSYONEAAK-HNNXBMFYSA-N 0 1 283.419 3.615 20 0 CHADMN Cc1cnc(CN(C)[C@@H](C)Cc2ccc(Cl)cc2)nc1 ZINC000340848433 526006512 /nfs/dbraw/zinc/00/65/12/526006512.db2.gz RQNTXYXMENKLNJ-ZDUSSCGKSA-N 0 1 289.810 3.501 20 0 CHADMN Cc1cnc(CN2CCC[C@@H]2c2ccccc2C)o1 ZINC000075642795 526018363 /nfs/dbraw/zinc/01/83/63/526018363.db2.gz CHJIVLOLKUWTFS-OAHLLOKOSA-N 0 1 256.349 3.629 20 0 CHADMN Cc1cnc(CN2CCC[C@@H](c3ccccc3)CC2)nc1 ZINC000340852645 526018549 /nfs/dbraw/zinc/01/85/49/526018549.db2.gz UNNBRDXNONVXCX-QGZVFWFLSA-N 0 1 281.403 3.555 20 0 CHADMN Cc1cn[nH]c1CN1CCC(=Cc2cccc(F)c2)CC1 ZINC000368226294 526020778 /nfs/dbraw/zinc/02/07/78/526020778.db2.gz NFYSMPPEKKCLJR-UHFFFAOYSA-N 0 1 285.366 3.537 20 0 CHADMN Cc1cn[nH]c1CN(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000290346743 526021487 /nfs/dbraw/zinc/02/14/87/526021487.db2.gz FDPIPFAPPGXDOS-GFCCVEGCSA-N 0 1 292.452 3.799 20 0 CHADMN Cc1cnc(CN2CC[C@](C)(CCc3ccccc3)C2)nc1 ZINC000340695697 526026572 /nfs/dbraw/zinc/02/65/72/526026572.db2.gz KOABZCWHUIGFBE-IBGZPJMESA-N 0 1 295.430 3.630 20 0 CHADMN Cc1cn[nH]c1CN[C@@H](C)c1cc(Cl)ccc1Cl ZINC000289553212 526029458 /nfs/dbraw/zinc/02/94/58/526029458.db2.gz QHFDREWDLLQQLN-VIFPVBQESA-N 0 1 284.190 3.876 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000289547428 526029703 /nfs/dbraw/zinc/02/97/03/526029703.db2.gz PWPBJSNVLDUPCR-JTQLQIEISA-N 0 1 283.297 3.588 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccccc2OC)c1 ZINC000020096581 526032671 /nfs/dbraw/zinc/03/26/71/526032671.db2.gz JIWHCEYRMIRCCJ-ZDUSSCGKSA-N 0 1 271.360 3.555 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCCC2(CCOCC2)C1 ZINC000266026333 526034492 /nfs/dbraw/zinc/03/44/92/526034492.db2.gz QGLGPIVDWFQQHF-CYBMUJFWSA-N 0 1 295.373 3.918 20 0 CHADMN Cc1cn[nH]c1CNc1ccccc1N(C)C1CCCC1 ZINC000289441513 526037148 /nfs/dbraw/zinc/03/71/48/526037148.db2.gz FYJDJXUIWIQRDZ-UHFFFAOYSA-N 0 1 284.407 3.709 20 0 CHADMN Cc1cn[nH]c1CNc1ccccc1N1CCCCCC1 ZINC000289614184 526037627 /nfs/dbraw/zinc/03/76/27/526037627.db2.gz VXMJZPKKSSHZGB-UHFFFAOYSA-N 0 1 284.407 3.711 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)N1CC[C@H](n2cccn2)C1 ZINC000291906904 526048745 /nfs/dbraw/zinc/04/87/45/526048745.db2.gz RNBYMUMNKXQADB-AAEUAGOBSA-N 0 1 293.773 3.684 20 0 CHADMN Cc1cc(-c2nc([C@@H](N)CC(C)C)no2)c(C)n1C(C)C ZINC000339389976 526051696 /nfs/dbraw/zinc/05/16/96/526051696.db2.gz GBGTYHFUGNKYRA-AWEZNQCLSA-N 0 1 290.411 3.782 20 0 CHADMN CSc1ccc([C@@H](C)NCc2ncccc2C)cc1 ZINC000071339464 526060079 /nfs/dbraw/zinc/06/00/79/526060079.db2.gz AUIUFDNFMLBZCT-CYBMUJFWSA-N 0 1 272.417 3.963 20 0 CHADMN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cccs1 ZINC000093889041 526063363 /nfs/dbraw/zinc/06/33/63/526063363.db2.gz PHEJKRWSQRTORT-BUXKBTBVSA-N 0 1 293.457 3.679 20 0 CHADMN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)Cc1cnc[nH]1 ZINC000280562554 526066927 /nfs/dbraw/zinc/06/69/27/526066927.db2.gz VHOOUGKPUIQQMN-JTQLQIEISA-N 0 1 283.297 3.622 20 0 CHADMN Cc1ccc2[nH]c([C@@H]3CCCN3C[C@@H]3CCCCO3)nc2c1 ZINC000289389738 526105404 /nfs/dbraw/zinc/10/54/04/526105404.db2.gz QVBYSXKRQSKVHX-YOEHRIQHSA-N 0 1 299.418 3.577 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C[C@@H]3CCCCO3)[nH]c2c1 ZINC000289389738 526105406 /nfs/dbraw/zinc/10/54/06/526105406.db2.gz QVBYSXKRQSKVHX-YOEHRIQHSA-N 0 1 299.418 3.577 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1ccnc(Cl)c1 ZINC000050166133 526146347 /nfs/dbraw/zinc/14/63/47/526146347.db2.gz VYJBQRMWPAPLRW-JTQLQIEISA-N 0 1 266.797 3.990 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@H]2NCc1ccco1 ZINC000152030201 526176639 /nfs/dbraw/zinc/17/66/39/526176639.db2.gz FATCDXYMPSXUOA-OAHLLOKOSA-N 0 1 257.333 3.592 20 0 CHADMN C[C@H](c1nccs1)N1CCN(CCCC(C)(C)C)CC1 ZINC000337209698 526188076 /nfs/dbraw/zinc/18/80/76/526188076.db2.gz SMLNYOHKOJLRIY-CQSZACIVSA-N 0 1 295.496 3.648 20 0 CHADMN Cc1cncc(CNC(C)(C)c2ccccc2F)c1 ZINC000292237934 526204962 /nfs/dbraw/zinc/20/49/62/526204962.db2.gz WLIDOLBBOOVTOQ-UHFFFAOYSA-N 0 1 258.340 3.554 20 0 CHADMN Cc1cnccc1CNCc1sccc1Br ZINC000129708977 526234435 /nfs/dbraw/zinc/23/44/35/526234435.db2.gz UFVLIOGAESJXEB-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN C[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000286926956 526238804 /nfs/dbraw/zinc/23/88/04/526238804.db2.gz ONXYHOQAGQEERW-RKDXNWHRSA-N 0 1 283.730 3.726 20 0 CHADMN F[C@@H]1CCC[C@@H]1N[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000340531806 526288592 /nfs/dbraw/zinc/28/85/92/526288592.db2.gz QGBQRBLZGBNHBC-RYRKJORJSA-N 0 1 299.393 3.730 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(Cl)cs1 ZINC000222234994 526290161 /nfs/dbraw/zinc/29/01/61/526290161.db2.gz MVEHDDYMNPYOLI-XDTLVQLUSA-N 0 1 299.823 3.619 20 0 CHADMN Fc1cc(CN[C@@H]2CCCc3occc32)cc(F)c1F ZINC000062706079 526299087 /nfs/dbraw/zinc/29/90/87/526299087.db2.gz WPBGPALILDWHNC-CYBMUJFWSA-N 0 1 281.277 3.864 20 0 CHADMN Fc1ccc(C2(CNCc3cocn3)CCCC2)c(F)c1 ZINC000277033159 526326786 /nfs/dbraw/zinc/32/67/86/526326786.db2.gz ODWYGNODQHFKGC-UHFFFAOYSA-N 0 1 292.329 3.554 20 0 CHADMN Oc1cc(Cl)ccc1-c1nc(CCC(F)(F)F)no1 ZINC000094494290 526333445 /nfs/dbraw/zinc/33/34/45/526333445.db2.gz TZBQXNUNCLLCBM-UHFFFAOYSA-N 0 1 292.644 3.591 20 0 CHADMN Fc1ccc(CN2CCC[C@H]2c2cccs2)nc1 ZINC000276416488 526334322 /nfs/dbraw/zinc/33/43/22/526334322.db2.gz WKAUJJJQMOTXJL-ZDUSSCGKSA-N 0 1 262.353 3.619 20 0 CHADMN Fc1ccc(CNCc2cc(F)c(F)c(F)c2)cc1 ZINC000062705656 526339084 /nfs/dbraw/zinc/33/90/84/526339084.db2.gz ITLAUQSOSDDKTH-UHFFFAOYSA-N 0 1 269.241 3.533 20 0 CHADMN O=C(CC1CCC1)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000079783642 526352904 /nfs/dbraw/zinc/35/29/04/526352904.db2.gz GTWBASMXFKKPMQ-OAHLLOKOSA-N 0 1 299.374 3.543 20 0 CHADMN Oc1ccc2c(c1)[C@H](NCc1ccc(F)c(F)c1)CCC2 ZINC000236590088 526355217 /nfs/dbraw/zinc/35/52/17/526355217.db2.gz SVSGSGYQGOQJQQ-QGZVFWFLSA-N 0 1 289.325 3.838 20 0 CHADMN [O-]c1cccc(C[NH2+]CC23CCC(CC2)C3)c1Cl ZINC000339326905 526357692 /nfs/dbraw/zinc/35/76/92/526357692.db2.gz UXRLXMMWECMKTH-UHFFFAOYSA-N 0 1 265.784 3.716 20 0 CHADMN Oc1cccc2c1CC[C@@H]2NCc1cc(F)cc(Cl)c1 ZINC000275044251 526366375 /nfs/dbraw/zinc/36/63/75/526366375.db2.gz ZFGVVIIASRGQJC-HNNXBMFYSA-N 0 1 291.753 3.962 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000045083880 526388076 /nfs/dbraw/zinc/38/80/76/526388076.db2.gz GVWMIBRUDKJIBI-MRXNPFEDSA-N 0 1 273.376 3.539 20 0 CHADMN Cc1nnc([C@@H](C)NC[C@H](C)c2cccc(Cl)c2)s1 ZINC000276270671 526396412 /nfs/dbraw/zinc/39/64/12/526396412.db2.gz QSPRMNHHGKCKQV-VHSXEESVSA-N 0 1 295.839 3.954 20 0 CHADMN c1c[nH]c([C@@H]2CCCCN2CCCCOc2ccccc2)n1 ZINC000152034957 526406411 /nfs/dbraw/zinc/40/64/11/526406411.db2.gz ALKPYHHKCQKOII-KRWDZBQOSA-N 0 1 299.418 3.796 20 0 CHADMN Cc1csc([C@H](C)NCc2ccc(C)cc2C)n1 ZINC000069168663 526435348 /nfs/dbraw/zinc/43/53/48/526435348.db2.gz UZQWCVTWHYCOSI-ZDUSSCGKSA-N 0 1 260.406 3.919 20 0 CHADMN Cc1nnsc1CNCc1ccc(C2CCCC2)cc1 ZINC000291632354 526446279 /nfs/dbraw/zinc/44/62/79/526446279.db2.gz APOVGQXBNCWSKT-UHFFFAOYSA-N 0 1 287.432 3.794 20 0 CHADMN Cc1noc(C)c1CN(C)CCCOc1ccccc1C ZINC000052457776 526499457 /nfs/dbraw/zinc/49/94/57/526499457.db2.gz YYOJHCSDFYOTIY-UHFFFAOYSA-N 0 1 288.391 3.501 20 0 CHADMN Cc1noc(C)c1CNCc1ccc2[nH]c(C)c(C)c2c1 ZINC000340417884 526514418 /nfs/dbraw/zinc/51/44/18/526514418.db2.gz QSTRICDYKSETKL-UHFFFAOYSA-N 0 1 283.375 3.679 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1cccc(OC(C)C)c1 ZINC000036997463 526516439 /nfs/dbraw/zinc/51/64/39/526516439.db2.gz ZWRHNGSVOYYWCZ-GFCCVEGCSA-N 0 1 288.391 3.929 20 0 CHADMN c1coc(CN(CCC2CCOCC2)Cc2ccco2)c1 ZINC000292604430 526565942 /nfs/dbraw/zinc/56/59/42/526565942.db2.gz LNZPIVLJBVQNPI-UHFFFAOYSA-N 0 1 289.375 3.692 20 0 CHADMN c1coc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000120843451 526567746 /nfs/dbraw/zinc/56/77/46/526567746.db2.gz OUWKMYOIGUDJOB-PBHICJAKSA-N 0 1 271.360 3.537 20 0 CHADMN c1nc(CSc2nc(C3CC3)n[nH]2)oc1-c1ccccc1 ZINC000012992270 526600434 /nfs/dbraw/zinc/60/04/34/526600434.db2.gz VSJMDMFYFWTPTR-UHFFFAOYSA-N 0 1 298.371 3.629 20 0 CHADMN c1nc(CSc2n[nH]c(C3CC3)n2)oc1-c1ccccc1 ZINC000012992270 526600438 /nfs/dbraw/zinc/60/04/38/526600438.db2.gz VSJMDMFYFWTPTR-UHFFFAOYSA-N 0 1 298.371 3.629 20 0 CHADMN c1[nH]nnc1SCc1nc(C2CCCCC2)cs1 ZINC000277787023 526621150 /nfs/dbraw/zinc/62/11/50/526621150.db2.gz UZNSISXUHKIELQ-UHFFFAOYSA-N 0 1 280.422 3.601 20 0 CHADMN Cc1nocc1CN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000293170989 526695557 /nfs/dbraw/zinc/69/55/57/526695557.db2.gz GOQOUOFURCJBNS-LBPRGKRZSA-N 0 1 270.376 3.713 20 0 CHADMN Cc1nc(C2(NCC[C@H](C)c3ccccc3)CCCC2)no1 ZINC000194357289 526768283 /nfs/dbraw/zinc/76/82/83/526768283.db2.gz LVWNMZBAQXHSPB-AWEZNQCLSA-N 0 1 299.418 3.931 20 0 CHADMN CC(C)(C)c1ccccc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000331786226 526796788 /nfs/dbraw/zinc/79/67/88/526796788.db2.gz GZFGEHHJNMNZLJ-OAHLLOKOSA-N 0 1 297.402 3.515 20 0 CHADMN Cc1nc(CN[C@@H](C)c2cccs2)sc1C ZINC000087375572 526891339 /nfs/dbraw/zinc/89/13/39/526891339.db2.gz FMUQQLOPSGFSFA-VIFPVBQESA-N 0 1 252.408 3.672 20 0 CHADMN Cc1sccc1CN[C@H]1c2ccccc2O[C@@H]1C ZINC000293027781 526921140 /nfs/dbraw/zinc/92/11/40/526921140.db2.gz RGYBCQPRLYYSRY-MEBBXXQBSA-N 0 1 259.374 3.668 20 0 CHADMN Cc1nc(F)ccc1CNCc1ccccc1OC(C)C ZINC000278506951 526946156 /nfs/dbraw/zinc/94/61/56/526946156.db2.gz OHMZRULJVWTYLX-UHFFFAOYSA-N 0 1 288.366 3.606 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@H]3CCCC(F)(F)C3)cc2[nH]1 ZINC000337276519 527145278 /nfs/dbraw/zinc/14/52/78/527145278.db2.gz FHYCMGPTKDNECN-JTQLQIEISA-N 0 1 293.317 3.635 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CC(C)(C)CC(C)(C)C2)[nH]1 ZINC000338544760 527149873 /nfs/dbraw/zinc/14/98/73/527149873.db2.gz SZNHXDBEYIRRAC-UHFFFAOYSA-N 0 1 299.418 3.770 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)[C@H](C)c2cccs2)[nH]1 ZINC000338436893 527150242 /nfs/dbraw/zinc/15/02/42/527150242.db2.gz PFFPPBOVSZOSOO-SNVBAGLBSA-N 0 1 299.399 3.766 20 0 CHADMN Cc1nc2cccc(C(=O)NC(C)(C)CC(C)(C)C)c2[nH]1 ZINC000338505462 527151359 /nfs/dbraw/zinc/15/13/59/527151359.db2.gz OBWFEWISZUNXFD-UHFFFAOYSA-N 0 1 287.407 3.816 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@H](C(C)(C)C)C2)[nH]1 ZINC000338621481 527152228 /nfs/dbraw/zinc/15/22/28/527152228.db2.gz GNZDLUANDYPCPP-ZDUSSCGKSA-N 0 1 299.418 3.770 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@@H]3CCCC(C)(C)C3)c2[nH]1 ZINC000338610511 527156047 /nfs/dbraw/zinc/15/60/47/527156047.db2.gz SPTOJBROULUIPC-GFCCVEGCSA-N 0 1 285.391 3.570 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3ccc(F)c(C)c3)c2[nH]1 ZINC000338537101 527156690 /nfs/dbraw/zinc/15/66/90/527156690.db2.gz RDDIVFDQBIPCDI-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1ncc(CN2CC[C@H](C(F)(F)F)C2(C)C)s1 ZINC000276218215 527258936 /nfs/dbraw/zinc/25/89/36/527258936.db2.gz IQEJKLOXGMIDSB-JTQLQIEISA-N 0 1 278.343 3.614 20 0 CHADMN Cc1ncc(CN[C@H](C)c2cnc3ccsc3c2)s1 ZINC000085433721 527279357 /nfs/dbraw/zinc/27/93/57/527279357.db2.gz AXFZGDZIZDKGOL-SECBINFHSA-N 0 1 289.429 3.912 20 0 CHADMN CC(C)(NCc1cccc2c1OCCO2)c1cccs1 ZINC000344296814 527293481 /nfs/dbraw/zinc/29/34/81/527293481.db2.gz AICPHADYHKYKSY-UHFFFAOYSA-N 0 1 289.400 3.544 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1ccc(C(F)F)cc1 ZINC000338679207 527300534 /nfs/dbraw/zinc/30/05/34/527300534.db2.gz ZDNGXNOKRWDIER-UHFFFAOYSA-N 0 1 287.269 3.753 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C2(CC(C)C)CCC2)c1 ZINC000332463147 527319696 /nfs/dbraw/zinc/31/96/96/527319696.db2.gz QBQQWZXQPWXAMQ-UHFFFAOYSA-N 0 1 289.375 3.750 20 0 CHADMN Cc1nccc(CN[C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000339228985 527338970 /nfs/dbraw/zinc/33/89/70/527338970.db2.gz FAOXSFRHGYKKCE-KRWDZBQOSA-N 0 1 285.366 3.555 20 0 CHADMN Cc1nccc(N(C)CCOc2ccccc2)c1Cl ZINC000357326039 527343583 /nfs/dbraw/zinc/34/35/83/527343583.db2.gz VXIKQDNTZKPSDP-UHFFFAOYSA-N 0 1 276.767 3.559 20 0 CHADMN Cn1ccc(CNC2(c3ccc(F)cc3F)CCCC2)c1 ZINC000128036977 527356818 /nfs/dbraw/zinc/35/68/18/527356818.db2.gz DTJIPZJJOTZIDI-UHFFFAOYSA-N 0 1 290.357 3.862 20 0 CHADMN Cn1ccnc1CN1CCC[C@H]1c1cccc2ccccc21 ZINC000263770097 527432434 /nfs/dbraw/zinc/43/24/34/527432434.db2.gz INLIVOSWQRDLPB-SFHVURJKSA-N 0 1 291.398 3.910 20 0 CHADMN Cn1ccnc1CN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000263881242 527436539 /nfs/dbraw/zinc/43/65/39/527436539.db2.gz CUIMODYEBIXKBY-KRWDZBQOSA-N 0 1 287.382 3.580 20 0 CHADMN Cn1ccnc1[C@@H](NCc1ccc(C2CCC2)cc1)C1CC1 ZINC000277262532 527454942 /nfs/dbraw/zinc/45/49/42/527454942.db2.gz QRRIXSJEVAVTCY-SFHVURJKSA-N 0 1 295.430 3.929 20 0 CHADMN Cc1ncsc1CN(C)Cc1cc(C)ccc1C ZINC000066562970 527497811 /nfs/dbraw/zinc/49/78/11/527497811.db2.gz YRRHJVMCBGWBLK-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN Cc1ncsc1CN(C)Cc1ccc2occc2c1 ZINC000289425186 527497830 /nfs/dbraw/zinc/49/78/30/527497830.db2.gz VCHNLWRBROXFEH-UHFFFAOYSA-N 0 1 272.373 3.830 20 0 CHADMN Cc1ncsc1CN(C)[C@H](C)c1cccc(F)c1 ZINC000066565621 527500237 /nfs/dbraw/zinc/50/02/37/527500237.db2.gz DBXHJAOURUHTML-LLVKDONJSA-N 0 1 264.369 3.784 20 0 CHADMN Cn1cnc2cc(CNC(C)(C)c3ccccc3F)ccc21 ZINC000291728757 527500938 /nfs/dbraw/zinc/50/09/38/527500938.db2.gz NOQSMPBOHHQHCJ-UHFFFAOYSA-N 0 1 297.377 3.737 20 0 CHADMN Cc1ncsc1CN1CCSC[C@H]1c1ccccc1 ZINC000128393730 527502848 /nfs/dbraw/zinc/50/28/48/527502848.db2.gz PAQVXZZLNIBMHG-AWEZNQCLSA-N 0 1 290.457 3.742 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCC[C@@H]1c1ccncc1 ZINC000289982902 527591362 /nfs/dbraw/zinc/59/13/62/527591362.db2.gz ZZIFJVZUGNMZNG-QGZVFWFLSA-N 0 1 284.407 3.505 20 0 CHADMN OC[C@H](N[C@H]1CCSc2ccccc21)c1ccccc1 ZINC000062999185 527611219 /nfs/dbraw/zinc/61/12/19/527611219.db2.gz YBFPFVQLAUDRRE-HOTGVXAUSA-N 0 1 285.412 3.547 20 0 CHADMN FC(F)SCc1ccc(CNC2CC(F)(F)C2)o1 ZINC000277726294 527697901 /nfs/dbraw/zinc/69/79/01/527697901.db2.gz UCUVEWMBINSGFP-UHFFFAOYSA-N 0 1 283.290 3.623 20 0 CHADMN CC(C)(C)C[C@@H]1CCCN1Cc1ccn(C(F)F)n1 ZINC000347693534 527698437 /nfs/dbraw/zinc/69/84/37/527698437.db2.gz XBSKIILTOWKQSR-LBPRGKRZSA-N 0 1 271.355 3.679 20 0 CHADMN CC(C)CCOc1ccc(CNCc2ccco2)cc1 ZINC000020083985 527777192 /nfs/dbraw/zinc/77/71/92/527777192.db2.gz PDSYICNHZSAHOW-UHFFFAOYSA-N 0 1 273.376 3.994 20 0 CHADMN CC1(C)Cc2occc2[C@H](NCc2ccc3cc[nH]c3n2)C1 ZINC000353623265 527780990 /nfs/dbraw/zinc/78/09/90/527780990.db2.gz BBNXNCFSQHKHER-OAHLLOKOSA-N 0 1 295.386 3.959 20 0 CHADMN CC(C)CCn1cccc1CN[C@H]1COCc2ccccc21 ZINC000418100044 527886011 /nfs/dbraw/zinc/88/60/11/527886011.db2.gz CRUBDWRGGJXRCL-IBGZPJMESA-N 0 1 298.430 3.895 20 0 CHADMN CC(C)[C@H]1N(Cc2cnc([C@H]3CCCO3)s2)CC1(C)C ZINC000353748866 527896815 /nfs/dbraw/zinc/89/68/15/527896815.db2.gz SHCBZRHSSJVEFZ-ZIAGYGMSSA-N 0 1 294.464 3.861 20 0 CHADMN CC(C)[C@]1(CO)CCCN(Cc2cc(F)cc(Cl)c2)C1 ZINC000354569290 527991248 /nfs/dbraw/zinc/99/12/48/527991248.db2.gz OZQZWCQKJNBGED-MRXNPFEDSA-N 0 1 299.817 3.710 20 0 CHADMN CCOC(=O)c1coc(CN2CCC[C@@H]2c2ccccc2)c1 ZINC000353381273 528325154 /nfs/dbraw/zinc/32/51/54/528325154.db2.gz MRVNXHWUXHRRDS-QGZVFWFLSA-N 0 1 299.370 3.793 20 0 CHADMN CCC[C@](C)(O)CNCc1csc(-c2ccsc2)n1 ZINC000344412562 528483671 /nfs/dbraw/zinc/48/36/71/528483671.db2.gz UKLWJWNRBCBYAP-AWEZNQCLSA-N 0 1 296.461 3.512 20 0 CHADMN CCC(C)(C)[C@H]1CCCN1Cc1ccn(C(F)F)n1 ZINC000347708088 528599838 /nfs/dbraw/zinc/59/98/38/528599838.db2.gz SCOZJYZSPIQHBV-GFCCVEGCSA-N 0 1 271.355 3.679 20 0 CHADMN CCCOc1ccc(CN2CC=C(C)CC2)cc1OC ZINC000353900820 528663175 /nfs/dbraw/zinc/66/31/75/528663175.db2.gz OXVNFJAOJCORLT-UHFFFAOYSA-N 0 1 275.392 3.636 20 0 CHADMN CCCCOc1ccc(CN(C)Cc2ccccn2)cc1 ZINC000350395756 528672103 /nfs/dbraw/zinc/67/21/03/528672103.db2.gz VMORDQMAFDDTEQ-UHFFFAOYSA-N 0 1 284.403 3.893 20 0 CHADMN CCCc1nc(CN(CC)CCC2CC2)cs1 ZINC000355037755 528745009 /nfs/dbraw/zinc/74/50/09/528745009.db2.gz LZSUJBZWMAWFRT-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN CCCc1nc(CN2CC[C@H](C)[C@H](C)C2)cs1 ZINC000347575669 528748866 /nfs/dbraw/zinc/74/88/66/528748866.db2.gz XRKLXBPWNHWFLM-NWDGAFQWSA-N 0 1 252.427 3.574 20 0 CHADMN CCCOc1ncccc1CNCc1ccc2occc2c1 ZINC000352830752 528792828 /nfs/dbraw/zinc/79/28/28/528792828.db2.gz VFVORPDYRAKDLJ-UHFFFAOYSA-N 0 1 296.370 3.906 20 0 CHADMN CCC(CC)[C@H](CCNc1cccc(C)n1)OC ZINC000354834819 528851935 /nfs/dbraw/zinc/85/19/35/528851935.db2.gz LBXUIRCFTQAIDH-AWEZNQCLSA-N 0 1 250.386 3.643 20 0 CHADMN CC1(C)C[C@@H](NCc2ccc(F)cn2)c2ccccc21 ZINC000334781901 529139661 /nfs/dbraw/zinc/13/96/61/529139661.db2.gz STXZRPDGIWXEEE-MRXNPFEDSA-N 0 1 270.351 3.733 20 0 CHADMN CC[C@@H](NCc1ccc2cc[nH]c2n1)c1ccccc1F ZINC000353649803 529185191 /nfs/dbraw/zinc/18/51/91/529185191.db2.gz PBSOYFZPCCNYAW-MRXNPFEDSA-N 0 1 283.350 3.943 20 0 CHADMN CC[C@@H](NCc1ccnc(SC)c1)c1ccc(F)cn1 ZINC000352783846 529187443 /nfs/dbraw/zinc/18/74/43/529187443.db2.gz OHKIZGJEQOEIEP-CYBMUJFWSA-N 0 1 291.395 3.579 20 0 CHADMN CC[C@H](C)Sc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000348175387 529197990 /nfs/dbraw/zinc/19/79/90/529197990.db2.gz SQASYJFCQPPWOK-DMEOUFDRSA-N 0 1 263.366 3.767 20 0 CHADMN CC[C@@H](N[C@@H](c1nccn1C)C1CC1)c1cccs1 ZINC000353856433 529202776 /nfs/dbraw/zinc/20/27/76/529202776.db2.gz BFVVWXVAUNAYOK-TZMCWYRMSA-N 0 1 275.421 3.674 20 0 CHADMN CCSc1cccc(CN2CCSC[C@H]2C)c1 ZINC000351996196 529250441 /nfs/dbraw/zinc/25/04/41/529250441.db2.gz NETMVINTAIWLRN-GFCCVEGCSA-N 0 1 267.463 3.736 20 0 CHADMN CC[C@H]1CN(Cc2c(C)nn(C(C)(C)C)c2C)CCS1 ZINC000353844936 529296299 /nfs/dbraw/zinc/29/62/99/529296299.db2.gz LLZQEOOBYXZGQH-AWEZNQCLSA-N 0 1 295.496 3.582 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@H](C)c1ccc(F)cn1 ZINC000354976239 529316883 /nfs/dbraw/zinc/31/68/83/529316883.db2.gz SUQPIXLLBHMUBS-PSASIEDQSA-N 0 1 264.266 3.602 20 0 CHADMN CCC[N@@H+](Cc1cc(C(=O)[O-])co1)[C@H]1CCc2ccccc21 ZINC000737019348 599849562 /nfs/dbraw/zinc/84/95/62/599849562.db2.gz HCWNTEWIJWWHGQ-KRWDZBQOSA-N 0 1 299.370 3.877 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000037337316 599935561 /nfs/dbraw/zinc/93/55/61/599935561.db2.gz BPVYNRBGCNRUIO-NSHDSACASA-N 0 1 289.400 3.831 20 0 CHADMN CC1CCC([N@@H+](C)Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000071265053 600081840 /nfs/dbraw/zinc/08/18/40/600081840.db2.gz AKNDAZMOZUQYHD-UHFFFAOYSA-N 0 1 279.355 3.534 20 0 CHADMN Cc1cc(C)cc(C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000156916264 600082179 /nfs/dbraw/zinc/08/21/79/600082179.db2.gz AYMKMQYDTQTPPS-UHFFFAOYSA-N 0 1 281.355 3.517 20 0 CHADMN CCC(CC)[N@@H+](Cc1ccc(F)cc1C(=O)[O-])C1CC1 ZINC000736898746 600087014 /nfs/dbraw/zinc/08/70/14/600087014.db2.gz AEGPZNHALQLIIG-UHFFFAOYSA-N 0 1 279.355 3.677 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cccc2ccccc21 ZINC000037596037 600221471 /nfs/dbraw/zinc/22/14/71/600221471.db2.gz LVVDSORSWQCQQW-UHFFFAOYSA-N 0 1 271.360 3.525 20 0 CHADMN O=C([O-])CC[N@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000238159628 600333926 /nfs/dbraw/zinc/33/39/26/600333926.db2.gz JRKWBOICPYQPEE-CQSZACIVSA-N 0 1 281.783 3.732 20 0 CHADMN CCc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C(=O)[O-])c2)o1 ZINC000737258772 600411462 /nfs/dbraw/zinc/41/14/62/600411462.db2.gz ISDKOLJARYSNKE-INIZCTEOSA-N 0 1 299.370 3.877 20 0 CHADMN Cc1cccc(C)c1C[N@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000738695741 600432952 /nfs/dbraw/zinc/43/29/52/600432952.db2.gz QIIPSTTUDPFKLW-QGZVFWFLSA-N 0 1 283.371 3.561 20 0 CHADMN Cc1cc(C[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)oc1C(=O)[O-] ZINC000566360369 600629808 /nfs/dbraw/zinc/62/98/08/600629808.db2.gz WWOMOGVHZNBXGL-HIFRSBDPSA-N 0 1 299.370 3.664 20 0 CHADMN C[C@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000565102451 600643052 /nfs/dbraw/zinc/64/30/52/600643052.db2.gz FSKWSSMWNRIKCB-SFHVURJKSA-N 0 1 299.370 3.532 20 0 CHADMN O=C([O-])CC[N@@H+](CCC1CCCC1)Cc1ccccc1 ZINC000659790353 600950967 /nfs/dbraw/zinc/95/09/67/600950967.db2.gz OTYJUVWMBMYQIJ-UHFFFAOYSA-N 0 1 275.392 3.544 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cc(Cl)ccc1Cl ZINC000087761475 600954227 /nfs/dbraw/zinc/95/42/27/600954227.db2.gz PJBRRSWDQWJFBL-UHFFFAOYSA-N 0 1 290.190 3.679 20 0 CHADMN Cc1ccc([C@H]2CCCC[N@H+]2Cc2occc2C(=O)[O-])o1 ZINC000738584179 600968917 /nfs/dbraw/zinc/96/89/17/600968917.db2.gz UZJOUMSQYGOGNO-CYBMUJFWSA-N 0 1 289.331 3.606 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])o2)CC[C@H]1c1ccccc1 ZINC000568067227 600975046 /nfs/dbraw/zinc/97/50/46/600975046.db2.gz PGHBEGKVSWYKAM-CZUORRHYSA-N 0 1 299.370 3.603 20 0 CHADMN C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)Cc2ccccc21 ZINC000828410791 600982200 /nfs/dbraw/zinc/98/22/00/600982200.db2.gz CUIYCHYSVCBIEP-SJKOYZFVSA-N 0 1 299.345 3.571 20 0 CHADMN C/C(=C\C[N@H+]1CCC[C@@H]1c1ccccc1Cl)C(=O)[O-] ZINC000825740934 601052374 /nfs/dbraw/zinc/05/23/74/601052374.db2.gz FERXAQQLPTVHSL-BMGYJQCNSA-N 0 1 279.767 3.508 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(F)cc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000828457078 601179145 /nfs/dbraw/zinc/17/91/45/601179145.db2.gz QQBCEMHPPFQYOR-SJCJKPOMSA-N 0 1 299.345 3.717 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000830376348 601424450 /nfs/dbraw/zinc/42/44/50/601424450.db2.gz WOIFMEZSWYXJLM-LLVKDONJSA-N 0 1 285.343 3.617 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1Cc2ccccc2[C@H]1C ZINC000830376348 601424452 /nfs/dbraw/zinc/42/44/52/601424452.db2.gz WOIFMEZSWYXJLM-LLVKDONJSA-N 0 1 285.343 3.617 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccsc2C(=O)[O-])Cc2ccccc21 ZINC000828463824 601804605 /nfs/dbraw/zinc/80/46/05/601804605.db2.gz RIMZPVMRJCKEHU-NSHDSACASA-N 0 1 287.384 3.566 20 0 CHADMN CC[N@@H+](CCc1cccs1)Cc1ccsc1C(=O)[O-] ZINC000829713658 601811561 /nfs/dbraw/zinc/81/15/61/601811561.db2.gz LZQHBQROZAKLJM-UHFFFAOYSA-N 0 1 295.429 3.572 20 0 CHADMN C[C@H]1c2ccccc2C[N@@H+]1Cc1ccsc1C(=O)[O-] ZINC000828528726 601838015 /nfs/dbraw/zinc/83/80/15/601838015.db2.gz ZVMIYCMGTUFDRV-JTQLQIEISA-N 0 1 273.357 3.523 20 0 CHADMN C[C@@H]([NH2+]Cc1cccc(C(=O)[O-])c1)c1c(F)cccc1F ZINC000820148992 601851682 /nfs/dbraw/zinc/85/16/82/601851682.db2.gz SNYDZQYCORHTGW-SNVBAGLBSA-N 0 1 291.297 3.514 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)s1 ZINC000833312570 601962922 /nfs/dbraw/zinc/96/29/22/601962922.db2.gz FFLPOXSXVPAWBU-ZDUSSCGKSA-N 0 1 291.347 3.532 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@H]2c2cccc(F)c2)s1 ZINC000833312570 601962926 /nfs/dbraw/zinc/96/29/26/601962926.db2.gz FFLPOXSXVPAWBU-ZDUSSCGKSA-N 0 1 291.347 3.532 20 0 CHADMN C/C(=C\C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F)C(=O)[O-] ZINC000825740779 604453192 /nfs/dbraw/zinc/45/31/92/604453192.db2.gz AYMMDZDHEABZTK-XKOZXHHJSA-N 0 1 295.329 3.523 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1 ZINC000833515269 604518087 /nfs/dbraw/zinc/51/80/87/604518087.db2.gz DKUCHTLXQOVBNK-ZDUSSCGKSA-N 0 1 298.386 3.514 20 0 CHADMN CC(C)[N@@H+](Cc1cccs1)Cc1ccccc1C(=O)[O-] ZINC000049029900 604534300 /nfs/dbraw/zinc/53/43/00/604534300.db2.gz BLVHEMYBOITZEV-UHFFFAOYSA-N 0 1 289.400 3.857 20 0 CHADMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000833554885 604678103 /nfs/dbraw/zinc/67/81/03/604678103.db2.gz NHFLLAVPZZXOQG-LJQANCHMSA-N 0 1 295.382 3.650 20 0 CHADMN C[C@@H](c1ccccc1)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833550958 604847662 /nfs/dbraw/zinc/84/76/62/604847662.db2.gz ZQZDCYNIDJXCPV-ZDUSSCGKSA-N 0 1 281.355 3.504 20 0 CHADMN C[C@@H](c1cccc(F)c1)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833549229 604849720 /nfs/dbraw/zinc/84/97/20/604849720.db2.gz VPZVEKIJSOOYNE-LBPRGKRZSA-N 0 1 299.345 3.643 20 0 CHADMN C[C@H](C1CC1)[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)Cc1ccccc1 ZINC000833516499 605101408 /nfs/dbraw/zinc/10/14/08/605101408.db2.gz YHKNUUNLRPWCFQ-CYBMUJFWSA-N 0 1 298.386 3.514 20 0 CHADMN CC(C)CC[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)C1CCCC1 ZINC000833482926 605103249 /nfs/dbraw/zinc/10/32/49/605103249.db2.gz CJQKFGZXTVDCRT-UHFFFAOYSA-N 0 1 278.396 3.504 20 0 CHADMN CC(C)(C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000833457975 605241184 /nfs/dbraw/zinc/24/11/84/605241184.db2.gz GKTMUMOHNDWDDX-UHFFFAOYSA-N 0 1 295.382 3.678 20 0 CHADMN CC(C)[N@@H+](Cc1cc(C(=O)[O-])ccc1F)C1CCCC1 ZINC000833497116 605841163 /nfs/dbraw/zinc/84/11/63/605841163.db2.gz ZVKXRMSSSAMUDX-UHFFFAOYSA-N 0 1 279.355 3.677 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CCCCc1ccccc1 ZINC000122130211 949236934 /nfs/dbraw/zinc/23/69/34/949236934.db2.gz IBKJCCQVBGLAJR-QGZVFWFLSA-N 0 1 289.419 3.729 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC001589605181 949242462 /nfs/dbraw/zinc/24/24/62/949242462.db2.gz LZSMPTNRGPGRTE-UXLLHSPISA-N 0 1 279.424 3.556 20 0 CHADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cccc2ccccc21 ZINC000263477775 950482064 /nfs/dbraw/zinc/48/20/64/950482064.db2.gz FPOAJMFVAVECGP-BBRMVZONSA-N 0 1 283.371 3.525 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000629376623 953823439 /nfs/dbraw/zinc/82/34/39/953823439.db2.gz YMNFDBWRIOOYMO-QAVQXKDTSA-N 0 1 279.405 3.625 20 0 CHADMN Cc1oc2ccccc2c1C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000665350396 954544031 /nfs/dbraw/zinc/54/40/31/954544031.db2.gz QHTONFRCAXFNOP-UHFFFAOYSA-N 0 1 289.375 3.674 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)CSc1ccccc1C ZINC001589441036 954715480 /nfs/dbraw/zinc/71/54/80/954715480.db2.gz PIUNKTICNFWLOR-TZMCWYRMSA-N 0 1 295.448 3.518 20 0 CHADMN C[C@H](c1ccc(Oc2ccccc2)cc1)[N@@H+](C)CC(=O)[O-] ZINC001589175075 956491072 /nfs/dbraw/zinc/49/10/72/956491072.db2.gz NNYIGTFRFLSXTO-CYBMUJFWSA-N 0 1 285.343 3.556 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000903408096 956833288 /nfs/dbraw/zinc/83/32/88/956833288.db2.gz OIRXYKQGVSPODI-RHSMWYFYSA-N 0 1 289.419 3.570 20 0 CHADMN CCSc1ccccc1C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000903409613 956836373 /nfs/dbraw/zinc/83/63/73/956836373.db2.gz WIPBNCVLSOGIIW-UHFFFAOYSA-N 0 1 295.448 3.731 20 0 CHADMN CCCc1cccc(C[N@H+]2CCC[C@](CC)(C(=O)[O-])C2)c1 ZINC000904400089 956955655 /nfs/dbraw/zinc/95/56/55/956955655.db2.gz FHTLHPCVCIGLJX-SFHVURJKSA-N 0 1 289.419 3.716 20 0 CHADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)CC1CCCCCC1 ZINC000089575320 958075284 /nfs/dbraw/zinc/07/52/84/958075284.db2.gz YXHWOSIJYFNFOE-UHFFFAOYSA-N 0 1 275.392 3.787 20 0 CHADMN Cc1oc(C[N@H+](CC(C)C)C2CCCC2)cc1C(=O)[O-] ZINC000094849648 958314731 /nfs/dbraw/zinc/31/47/31/958314731.db2.gz LNRHAYQPCACQHH-UHFFFAOYSA-N 0 1 279.380 3.687 20 0 CHADMN Cc1ccc(-c2nnc(CN(CC(C)C)C3CC3)o2)cc1 ZINC000046512276 1125467942 /nfs/dbraw/zinc/46/79/42/1125467942.db2.gz IPXFNKWXXIMBOA-UHFFFAOYSA-N 0 1 285.391 3.665 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000132296682 958780418 /nfs/dbraw/zinc/78/04/18/958780418.db2.gz SDKXGTZDWMJJOJ-LBPRGKRZSA-N 0 1 297.345 3.701 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](CC(C)C)C(C)C ZINC000155973082 959043803 /nfs/dbraw/zinc/04/38/03/959043803.db2.gz OYDQFZIBHNDENF-UHFFFAOYSA-N 0 1 269.410 3.621 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](CCC(C)C)C1CC1 ZINC000168078027 959372276 /nfs/dbraw/zinc/37/22/76/959372276.db2.gz UZJGSFWMJJZOGI-UHFFFAOYSA-N 0 1 281.421 3.765 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000181544983 959438320 /nfs/dbraw/zinc/43/83/20/959438320.db2.gz UNRIFCUBARFKMN-CQSZACIVSA-N 0 1 281.783 3.732 20 0 CHADMN C[C@H]1C[C@@H]([N@H+]2CCC[C@]2(C)C(=O)[O-])c2ccsc2S1 ZINC001594245327 959561175 /nfs/dbraw/zinc/56/11/75/959561175.db2.gz KRGDMSAJYJFAGG-DRCTWCGVSA-N 0 1 297.445 3.613 20 0 CHADMN Cc1cc([C@H](C)[NH2+]Cc2cc(C(=O)[O-])ccc2F)c(C)o1 ZINC000231030665 960183545 /nfs/dbraw/zinc/18/35/45/960183545.db2.gz ZVOAZXBXDZTFCE-JTQLQIEISA-N 0 1 291.322 3.585 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)c(Cl)c1 ZINC000235878302 960526917 /nfs/dbraw/zinc/52/69/17/960526917.db2.gz KQZLUMXGYWLPMS-CYBMUJFWSA-N 0 1 295.810 3.725 20 0 CHADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1C/C=C/c1ccc(Cl)cc1 ZINC001574267075 960592038 /nfs/dbraw/zinc/59/20/38/960592038.db2.gz TVUQTNFAVBFNOR-BYSCNOHMSA-N 0 1 293.794 3.681 20 0 CHADMN OCC[C@H]1CCCCCN1Cc1c(F)cccc1Cl ZINC000671248532 1117784486 /nfs/dbraw/zinc/78/44/86/1117784486.db2.gz ZHCSIHCVNATSQA-GFCCVEGCSA-N 0 1 285.790 3.606 20 0 CHADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000250754018 961225774 /nfs/dbraw/zinc/22/57/74/961225774.db2.gz MEEHJKILIASKTG-OLZOCXBDSA-N 0 1 291.366 3.536 20 0 CHADMN CCc1oc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)cc1C(=O)[O-] ZINC001332432498 961574970 /nfs/dbraw/zinc/57/49/70/961574970.db2.gz DFZSOAMCGIWRLG-STQMWFEESA-N 0 1 291.391 3.552 20 0 CHADMN C[N@@H+](Cc1ccc2ccccc2c1)C(C)(C)CC(=O)[O-] ZINC001334025672 961748247 /nfs/dbraw/zinc/74/82/47/961748247.db2.gz CLZLBFQYIKVGFM-UHFFFAOYSA-N 0 1 271.360 3.525 20 0 CHADMN C[C@@H]1C[N@H+](Cc2cccc([O-])c2Cl)C(C)(C)C1 ZINC000380614290 1117896526 /nfs/dbraw/zinc/89/65/26/1117896526.db2.gz BJJNZBYNIKUXDF-JTQLQIEISA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cccc([O-])c2Cl)C(C)(C)C1 ZINC000380614290 1117896533 /nfs/dbraw/zinc/89/65/33/1117896533.db2.gz BJJNZBYNIKUXDF-JTQLQIEISA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H](CCN1CCN(C(=O)C(C)(C)C)CC1)CC(C)(C)C ZINC001208663952 1117900864 /nfs/dbraw/zinc/90/08/64/1117900864.db2.gz JZHQZDSBZQZIDS-HNNXBMFYSA-N 0 1 296.499 3.639 20 0 CHADMN CCc1nnc(CN(CC)[C@H]2CCCC[C@@H]2C)s1 ZINC000120110380 1117982179 /nfs/dbraw/zinc/98/21/79/1117982179.db2.gz GPLOXLHJTRCYHW-RYUDHWBXSA-N 0 1 267.442 3.501 20 0 CHADMN CCOCc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1 ZINC000649444317 1117990516 /nfs/dbraw/zinc/99/05/16/1117990516.db2.gz NVKBUVCVWDNJML-UHFFFAOYSA-N 0 1 270.254 3.632 20 0 CHADMN Cc1oc(C[N@H+]2CC[C@@H](CC(C)(C)C)C2)cc1C(=O)[O-] ZINC000307806498 963226769 /nfs/dbraw/zinc/22/67/69/963226769.db2.gz GEEWDLXUDFNMKV-LBPRGKRZSA-N 0 1 279.380 3.544 20 0 CHADMN Cc1ccoc1CN1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000295138452 1118005897 /nfs/dbraw/zinc/00/58/97/1118005897.db2.gz ZJONDKQACNCGBL-WDEREUQCSA-N 0 1 261.287 3.751 20 0 CHADMN CCCC[C@H](CC)CN(C)Cc1nccn1C(F)F ZINC000183596622 1118046700 /nfs/dbraw/zinc/04/67/00/1118046700.db2.gz QQKRPWVTKOQQPJ-LBPRGKRZSA-N 0 1 273.371 3.926 20 0 CHADMN Fc1cc(Cl)cc(N[C@@H]2CCCc3[nH]ncc32)c1 ZINC000367597423 1118056029 /nfs/dbraw/zinc/05/60/29/1118056029.db2.gz NJQDXMLHQHNSMC-GFCCVEGCSA-N 0 1 265.719 3.692 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2coc3ccccc23)C1 ZINC000161123809 967655294 /nfs/dbraw/zinc/65/52/94/967655294.db2.gz BIGRLLWNVXNMSD-QGZVFWFLSA-N 0 1 287.359 3.510 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1C[C@H]1CC2CCC1CC2 ZINC000691670588 968908931 /nfs/dbraw/zinc/90/89/31/968908931.db2.gz DGENFLQRHFVTOO-FJBKBRRZSA-N 0 1 279.424 3.532 20 0 CHADMN CC[C@H](C)[C@H](C)[N@@H+](CCC1(C(=O)[O-])CCC1)C1CC1 ZINC000903696601 969591100 /nfs/dbraw/zinc/59/11/00/969591100.db2.gz YECXHNWLAOSNGJ-STQMWFEESA-N 0 1 267.413 3.530 20 0 CHADMN C[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1ccc(F)c(Cl)c1 ZINC000903700657 969592330 /nfs/dbraw/zinc/59/23/30/969592330.db2.gz GBWLUWFZQFWQCJ-UHFFFAOYSA-N 0 1 299.773 3.556 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000394863141 972763078 /nfs/dbraw/zinc/76/30/78/972763078.db2.gz RMQGSHGIAWTWBW-CZUORRHYSA-N 0 1 275.392 3.643 20 0 CHADMN C[C@H]1CCCC[C@@H]1C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000394863143 972763870 /nfs/dbraw/zinc/76/38/70/972763870.db2.gz RMQGSHGIAWTWBW-XJKSGUPXSA-N 0 1 275.392 3.643 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(Cl)c2C)C1 ZINC001603609332 973875436 /nfs/dbraw/zinc/87/54/36/973875436.db2.gz IPULRGVYSBXEKQ-INIZCTEOSA-N 0 1 295.810 3.725 20 0 CHADMN C[C@@H](C[N@@H+](CCC(C)(C)C)Cc1ccccc1)C(=O)[O-] ZINC000514610244 974289736 /nfs/dbraw/zinc/28/97/36/974289736.db2.gz QWMQQXNMGZSDKX-AWEZNQCLSA-N 0 1 277.408 3.646 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000522007784 974349308 /nfs/dbraw/zinc/34/93/08/974349308.db2.gz KTXQARHNZSDPGD-RYUDHWBXSA-N 0 1 293.407 3.939 20 0 CHADMN CC[C@@H](C)[N@@H+](C/C=C\c1ccc(Cl)cc1)CC(=O)[O-] ZINC000556919192 974490822 /nfs/dbraw/zinc/49/08/22/974490822.db2.gz JKKGAVFLWPHCRE-QMAVJUDZSA-N 0 1 281.783 3.538 20 0 CHADMN CC[C@H](C)[N@@H+](C/C=C\c1ccc(Cl)cc1)CC(=O)[O-] ZINC000556919193 974490960 /nfs/dbraw/zinc/49/09/60/974490960.db2.gz JKKGAVFLWPHCRE-RXNFCKPNSA-N 0 1 281.783 3.538 20 0 CHADMN CC(C)C[N@@H+](Cc1cc(C(=O)[O-])ccc1Cl)C1CC1 ZINC000564739313 974552227 /nfs/dbraw/zinc/55/22/27/974552227.db2.gz YRMKPLAWHLSOOY-UHFFFAOYSA-N 0 1 281.783 3.659 20 0 CHADMN CCC[C@]1(C)CCC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000565105630 974571540 /nfs/dbraw/zinc/57/15/40/974571540.db2.gz ULXSMIHVZRKKPB-BLLLJJGKSA-N 0 1 279.380 3.941 20 0 CHADMN CC(C)[N@@H+](Cc1cccc(Cl)c1)CC1(CC(=O)[O-])CC1 ZINC000565365814 974580323 /nfs/dbraw/zinc/58/03/23/974580323.db2.gz IFFXOHHNXFPZOS-UHFFFAOYSA-N 0 1 295.810 3.805 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccoc2C(=O)[O-])cc1C ZINC000565662495 974586270 /nfs/dbraw/zinc/58/62/70/974586270.db2.gz BWDCYOFGZVNZHA-INIZCTEOSA-N 0 1 299.370 3.932 20 0 CHADMN CCC(C)(C)c1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]2C)cc1 ZINC000565838819 974590097 /nfs/dbraw/zinc/59/00/97/974590097.db2.gz RWQCABFVHCASLN-CJNGLKHVSA-N 0 1 289.419 3.669 20 0 CHADMN CC/C=C\CC[N@@H+](CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000566748548 974620824 /nfs/dbraw/zinc/62/08/24/974620824.db2.gz MTRKVTQREXPPKF-KJPDOMRESA-N 0 1 275.392 3.881 20 0 CHADMN O=C([O-])[C@H](c1ccsc1)[N@H+]1CCC2(C1)CCCCC2 ZINC000566920163 974624333 /nfs/dbraw/zinc/62/43/33/974624333.db2.gz ITISQZPRHYYHGB-ZDUSSCGKSA-N 0 1 279.405 3.530 20 0 CHADMN CCS[C@H]1CCCC[N@@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000568061590 974657164 /nfs/dbraw/zinc/65/71/64/974657164.db2.gz LADWXZFNMGRSRG-LBPRGKRZSA-N 0 1 299.461 3.554 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000568060801 974657205 /nfs/dbraw/zinc/65/72/05/974657205.db2.gz OSPGULSGDJVGEN-HNNXBMFYSA-N 0 1 287.384 3.783 20 0 CHADMN C[C@H](C[N@@H+](C/C=C/c1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000568073580 974660521 /nfs/dbraw/zinc/66/05/21/974660521.db2.gz GAAWWSCDFVIJNY-QAVQXKDTSA-N 0 1 293.794 3.538 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000570574949 974714592 /nfs/dbraw/zinc/71/45/92/974714592.db2.gz CHVVMTDNWCVEEY-OSMZGAPFSA-N 0 1 293.432 3.908 20 0 CHADMN Cc1cccc(Cl)c1C[N@H+](CCC(=O)[O-])CC(C)C ZINC000571888600 974737795 /nfs/dbraw/zinc/73/77/95/974737795.db2.gz PDCVRVPUDKYCIE-UHFFFAOYSA-N 0 1 283.799 3.581 20 0 CHADMN C[C@H](C[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1)C1CCCCC1 ZINC000572618754 974751296 /nfs/dbraw/zinc/75/12/96/974751296.db2.gz IEQXPJRQNQDHFB-OLZOCXBDSA-N 0 1 267.413 3.530 20 0 CHADMN O=C([O-])C1(C[N@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000573571876 974768094 /nfs/dbraw/zinc/76/80/94/974768094.db2.gz HYNZOIXOAMMYFN-SXSDINLZSA-N 0 1 299.414 3.809 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CCc1cccc2ccccc21 ZINC000578199680 974850745 /nfs/dbraw/zinc/85/07/45/974850745.db2.gz RJFXCMDXCMQYOK-SFHVURJKSA-N 0 1 299.414 3.813 20 0 CHADMN O=C([O-])[C@H](c1ccsc1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000578756247 974861364 /nfs/dbraw/zinc/86/13/64/974861364.db2.gz KDVFXFCNGBINQL-AAEUAGOBSA-N 0 1 293.413 3.772 20 0 CHADMN C[N@@H+](Cc1c(Cl)cccc1C(=O)[O-])C(C1CC1)C1CC1 ZINC000579016657 974867537 /nfs/dbraw/zinc/86/75/37/974867537.db2.gz YATGRFHLTPQUKH-UHFFFAOYSA-N 0 1 293.794 3.659 20 0 CHADMN CC[N@@H+](Cc1ccoc1C(=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000580084865 974888602 /nfs/dbraw/zinc/88/86/02/974888602.db2.gz CSDVZRKNIAKJFY-LLVKDONJSA-N 0 1 291.322 3.700 20 0 CHADMN Cc1oc(C[N@H+](C)[C@@H](C)c2cccc(F)c2)cc1C(=O)[O-] ZINC000580202182 974890622 /nfs/dbraw/zinc/89/06/22/974890622.db2.gz VVYZDKWEHPTBKL-JTQLQIEISA-N 0 1 291.322 3.618 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000582425817 974925883 /nfs/dbraw/zinc/92/58/83/974925883.db2.gz PFDNPNCYYSOSHH-HLLBOEOZSA-N 0 1 289.419 3.816 20 0 CHADMN C/C=C\C[C@H]1CCC[N@@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000629374996 975088928 /nfs/dbraw/zinc/08/89/28/975088928.db2.gz ABNCWZGLXOEBOM-DLGQBQFBSA-N 0 1 279.405 3.625 20 0 CHADMN Cc1oc(C[N@H+](C)[C@H](C)c2ccccc2C)cc1C(=O)[O-] ZINC000652389349 975518563 /nfs/dbraw/zinc/51/85/63/975518563.db2.gz RAAODRHIYIQQLL-GFCCVEGCSA-N 0 1 287.359 3.788 20 0 CHADMN CC(C)CC[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000652437009 975532646 /nfs/dbraw/zinc/53/26/46/975532646.db2.gz TUNBLNGFVOJDAC-GFCCVEGCSA-N 0 1 281.421 3.847 20 0 CHADMN O=C([O-])[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H](CCF)C1 ZINC000656762193 975687918 /nfs/dbraw/zinc/68/79/18/975687918.db2.gz AMAQVPURKGEUSH-FZMZJTMJSA-N 0 1 299.773 3.537 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656761348 975688431 /nfs/dbraw/zinc/68/84/31/975688431.db2.gz PEJPVTYXSAJBDK-AWEZNQCLSA-N 0 1 291.391 3.688 20 0 CHADMN O=C([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](CCF)C2)c1 ZINC000656763839 975694335 /nfs/dbraw/zinc/69/43/35/975694335.db2.gz RGKITPGEPQCSLV-NSHDSACASA-N 0 1 299.773 3.610 20 0 CHADMN CC1(C)CC[N@@H+](Cc2ccoc2C(=O)[O-])CC(C)(C)C1 ZINC000656764172 975695048 /nfs/dbraw/zinc/69/50/48/975695048.db2.gz VAGQGPWWPVGIPJ-UHFFFAOYSA-N 0 1 279.380 3.626 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCCCCC2)[C@@H]2CCCC[C@@H]12 ZINC000656769011 975704143 /nfs/dbraw/zinc/70/41/43/975704143.db2.gz XXQNGYBLIUHFQL-GVDBMIGSSA-N 0 1 293.451 3.922 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CCC1CCC1)CC(=O)[O-] ZINC000659793412 975881763 /nfs/dbraw/zinc/88/17/63/975881763.db2.gz VRSMLSVJBXFLQM-MRXNPFEDSA-N 0 1 275.392 3.715 20 0 CHADMN Cc1c(C)c(C)c(C[N@H+](C)[C@H]2C[C@@H](C(=O)[O-])C2)c(C)c1C ZINC000659802178 975891817 /nfs/dbraw/zinc/89/18/17/975891817.db2.gz RILGGUSDSVBYKZ-IYBDPMFKSA-N 0 1 289.419 3.524 20 0 CHADMN CCC(CC)CCC[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000659802545 975893964 /nfs/dbraw/zinc/89/39/64/975893964.db2.gz REPSWZCTKUVYRZ-UHFFFAOYSA-N 0 1 281.396 3.934 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000659804002 975895235 /nfs/dbraw/zinc/89/52/35/975895235.db2.gz RRSCJIYLPDZYAH-OAHLLOKOSA-N 0 1 291.391 3.831 20 0 CHADMN CC(C)c1[nH]c(C[N@@H+](C)[C@H]2CCCC[C@H]2C)cc1C(=O)[O-] ZINC001591910489 976319700 /nfs/dbraw/zinc/31/97/00/976319700.db2.gz GIHMEWIGFOKDNG-DOMZBBRYSA-N 0 1 292.423 3.847 20 0 CHADMN CC(C)c1cccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cn2)c1 ZINC001591986771 976609149 /nfs/dbraw/zinc/60/91/49/976609149.db2.gz HMQGISFBQKNXQB-UHFFFAOYSA-N 0 1 298.386 3.535 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000708397306 977426845 /nfs/dbraw/zinc/42/68/45/977426845.db2.gz BEWYKXFODSDEQG-GFCCVEGCSA-N 0 1 281.421 3.704 20 0 CHADMN CCC1CCC([N@@H+](C)Cc2cc(C(=O)[O-])cs2)CC1 ZINC000711456946 977549092 /nfs/dbraw/zinc/54/90/92/977549092.db2.gz KWOLGMYNPODRET-UHFFFAOYSA-N 0 1 281.421 3.847 20 0 CHADMN Cc1ccc([C@H](C)[N@@H+](C)Cc2ccccc2CC(=O)[O-])cc1 ZINC000846238818 979417677 /nfs/dbraw/zinc/41/76/77/979417677.db2.gz NMNOWVBUNNAGID-HNNXBMFYSA-N 0 1 297.398 3.815 20 0 CHADMN C[C@@H](Sc1nc(C2CC2)n[nH]1)c1cc(F)ccc1F ZINC000340598175 1118375322 /nfs/dbraw/zinc/37/53/22/1118375322.db2.gz UWVHDAJMHRBUFE-SSDOTTSWSA-N 0 1 281.331 3.814 20 0 CHADMN C[C@@H](Sc1n[nH]c(C2CC2)n1)c1cc(F)ccc1F ZINC000340598175 1118375326 /nfs/dbraw/zinc/37/53/26/1118375326.db2.gz UWVHDAJMHRBUFE-SSDOTTSWSA-N 0 1 281.331 3.814 20 0 CHADMN C/C(=C/C[N@H+]1CCC[C@H]1CCCc1ccccc1)C(=O)[O-] ZINC000846255050 979427140 /nfs/dbraw/zinc/42/71/40/979427140.db2.gz SUSOOJGJGYKRDC-MLRPBERTSA-N 0 1 287.403 3.505 20 0 CHADMN CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(C)c(C(=O)[O-])c1 ZINC000872158526 980042296 /nfs/dbraw/zinc/04/22/96/980042296.db2.gz DZCUTHNJERJMOH-CYBMUJFWSA-N 0 1 295.448 3.657 20 0 CHADMN C[C@H](C[N@H+]1CCc2c(cccc2C(=O)[O-])C1)CC(C)(C)C ZINC000872161585 980051142 /nfs/dbraw/zinc/05/11/42/980051142.db2.gz CLIPVYBQKQLKJE-ZDUSSCGKSA-N 0 1 289.419 3.815 20 0 CHADMN O=C([O-])c1ccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)cc1 ZINC000883519531 980206434 /nfs/dbraw/zinc/20/64/34/980206434.db2.gz UUABMOHALXCJDB-IRXDYDNUSA-N 0 1 299.345 3.500 20 0 CHADMN CC[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1ccc(C(=O)[O-])cc1 ZINC001595284129 980353188 /nfs/dbraw/zinc/35/31/88/980353188.db2.gz PNXLJKGBISKBIN-CHWSQXEVSA-N 0 1 283.318 3.613 20 0 CHADMN C[C@H]1CCCC[C@H]1C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000901744839 980474084 /nfs/dbraw/zinc/47/40/84/980474084.db2.gz LLWZSNBPNRTAQE-BBRMVZONSA-N 0 1 287.403 3.569 20 0 CHADMN Cc1ccc(F)cc1C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000901840317 980558836 /nfs/dbraw/zinc/55/88/36/980558836.db2.gz HXBZWWHWDSVHDT-UHFFFAOYSA-N 0 1 295.398 3.703 20 0 CHADMN C[N@@H+](CC1CCCCCC1)[C@H](C(=O)[O-])c1ccccc1 ZINC000901981724 980660952 /nfs/dbraw/zinc/66/09/52/980660952.db2.gz HBLSYANYZDNOGN-INIZCTEOSA-N 0 1 275.392 3.715 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(F)c2ccccc12 ZINC000901990034 980669837 /nfs/dbraw/zinc/66/98/37/980669837.db2.gz VFZHUMBBIAOWEJ-LBPRGKRZSA-N 0 1 289.350 3.664 20 0 CHADMN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1C[C@H]1CC=CCC1 ZINC000902049063 980713994 /nfs/dbraw/zinc/71/39/94/980713994.db2.gz WROSQUWJFWHXCR-XIRDDKMYSA-N 0 1 285.387 3.633 20 0 CHADMN C[N@@H+](CCC(C)(C)C(=O)[O-])Cc1cccc2ccccc21 ZINC000902129938 980748843 /nfs/dbraw/zinc/74/88/43/980748843.db2.gz JYIKZEHWADADHU-UHFFFAOYSA-N 0 1 285.387 3.773 20 0 CHADMN CCc1oc(C[N@@H+](C)Cc2ccc(C)s2)cc1C(=O)[O-] ZINC000902220878 980787918 /nfs/dbraw/zinc/78/79/18/980787918.db2.gz MMVLVTUKEOUGTQ-UHFFFAOYSA-N 0 1 293.388 3.542 20 0 CHADMN CCC1(CC)CCC[N@H+]([C@H](C)c2nc(C(=O)[O-])co2)CC1 ZINC001595374766 980888007 /nfs/dbraw/zinc/88/80/07/980888007.db2.gz UGOLSMJDXBKGAY-GFCCVEGCSA-N 0 1 294.395 3.726 20 0 CHADMN CCC1(CC)CC[N@H+]([C@H](C(=O)[O-])c2ccccc2C)C1 ZINC001595375178 980893238 /nfs/dbraw/zinc/89/32/38/980893238.db2.gz WNTASQJEYIHCHU-HNNXBMFYSA-N 0 1 275.392 3.633 20 0 CHADMN C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902511555 980915552 /nfs/dbraw/zinc/91/55/52/980915552.db2.gz JPDBNQLMBVIFJR-AEZGRPFRSA-N 0 1 291.372 3.632 20 0 CHADMN O=C([O-])/C=C\c1ccc(C[N@H+]2CCC[C@H]2C2CCCC2)o1 ZINC000902512944 980915835 /nfs/dbraw/zinc/91/58/35/980915835.db2.gz QPPJWJABCROUTR-YDZSZYSISA-N 0 1 289.375 3.532 20 0 CHADMN CC(C)(CC[N@H+]1CCCCC[C@@H]1c1ccco1)C(=O)[O-] ZINC000902517234 980917401 /nfs/dbraw/zinc/91/74/01/980917401.db2.gz DMBQYDPJLZDFOQ-CYBMUJFWSA-N 0 1 279.380 3.698 20 0 CHADMN CCc1oc(C[N@H+](Cc2ccco2)C(C)C)cc1C(=O)[O-] ZINC000902523662 980920021 /nfs/dbraw/zinc/92/00/21/980920021.db2.gz JHCWHDPTCOUOIP-UHFFFAOYSA-N 0 1 291.347 3.544 20 0 CHADMN CCc1oc(C[N@@H+](Cc2ccco2)C(C)C)cc1C(=O)[O-] ZINC000902523662 980920026 /nfs/dbraw/zinc/92/00/26/980920026.db2.gz JHCWHDPTCOUOIP-UHFFFAOYSA-N 0 1 291.347 3.544 20 0 CHADMN C[C@H]1CC[C@H](C)[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)C1 ZINC000902524870 980920714 /nfs/dbraw/zinc/92/07/14/980920714.db2.gz QHAWZIGTFHKWCW-STQMWFEESA-N 0 1 298.386 3.553 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000903597498 980980888 /nfs/dbraw/zinc/98/08/88/980980888.db2.gz NLKGDFPGOGKPAW-MKVSYHDVSA-N 0 1 289.419 3.672 20 0 CHADMN CCc1ccc2ccccc2c1C[N@@H+](C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000903606567 980986950 /nfs/dbraw/zinc/98/69/50/980986950.db2.gz KYRQJOHFCGMOHI-IYBDPMFKSA-N 0 1 297.398 3.697 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC000903888069 981021210 /nfs/dbraw/zinc/02/12/10/981021210.db2.gz OUEICXGHGGSQMN-CYBMUJFWSA-N 0 1 298.386 3.555 20 0 CHADMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903895709 981025946 /nfs/dbraw/zinc/02/59/46/981025946.db2.gz JVNZWCONJLKMPW-GXTWGEPZSA-N 0 1 298.386 3.696 20 0 CHADMN C[C@H]1CCCC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC000903896896 981027488 /nfs/dbraw/zinc/02/74/88/981027488.db2.gz XDKWSMVEBGHUBG-ZDUSSCGKSA-N 0 1 298.386 3.555 20 0 CHADMN CCCCCC[N@@H+](Cc1ccco1)[C@H](CC)C(=O)[O-] ZINC000903961163 981076852 /nfs/dbraw/zinc/07/68/52/981076852.db2.gz NRNQPDLMBAFMQQ-CQSZACIVSA-N 0 1 267.369 3.525 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CC2(CC(F)C2)C1 ZINC000656695277 1118638256 /nfs/dbraw/zinc/63/82/56/1118638256.db2.gz FMGZBTUXXVTVGF-UHFFFAOYSA-N 0 1 287.300 3.948 20 0 CHADMN FC(F)(F)CC1CN(CCc2cccc(Cl)c2)C1 ZINC000656688888 1118638570 /nfs/dbraw/zinc/63/85/70/1118638570.db2.gz YMWQZYFNOVPVGR-UHFFFAOYSA-N 0 1 277.717 3.767 20 0 CHADMN CC(C)(C)CCC[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000656765335 1118652306 /nfs/dbraw/zinc/65/23/06/1118652306.db2.gz KGGCDRBYZPYTAQ-QLFBSQMISA-N 0 1 281.440 3.778 20 0 CHADMN CC[C@@](C)(C(=O)[O-])[N@@H+](CC1CC1)CC1CC2(CCC2)C1 ZINC001594785425 981803678 /nfs/dbraw/zinc/80/36/78/981803678.db2.gz LSLAOVQNLYQCGE-INIZCTEOSA-N 0 1 279.424 3.532 20 0 CHADMN C[C@@H](CCc1ccccc1)CNC(C)(C)C(F)F ZINC000684414081 1118688067 /nfs/dbraw/zinc/68/80/67/1118688067.db2.gz RNCQYNBIWJKHJR-LBPRGKRZSA-N 0 1 255.352 3.889 20 0 CHADMN C[C@@H](N(C)Cc1nc(C(C)(C)C)co1)C(C)(C)C ZINC000891670778 1118734369 /nfs/dbraw/zinc/73/43/69/1118734369.db2.gz JSQLJWXEGPHROP-LLVKDONJSA-N 0 1 252.402 3.839 20 0 CHADMN CCCC[N@@H+](Cc1cc(C(=O)[O-])n(C)c1)C1CCCCC1 ZINC001595749271 982422422 /nfs/dbraw/zinc/42/24/22/982422422.db2.gz VEHUHWKRUGLOCU-UHFFFAOYSA-N 0 1 292.423 3.658 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(C)cc2Cl)CCS1 ZINC001167499766 1118929707 /nfs/dbraw/zinc/92/97/07/1118929707.db2.gz OIBOUOXQQKWRKH-CYBMUJFWSA-N 0 1 269.841 3.976 20 0 CHADMN CCCn1cc(CN2CCC[C@H]2c2ccccc2OC)cn1 ZINC000130940670 1125486769 /nfs/dbraw/zinc/48/67/69/1125486769.db2.gz FOBXBJAMMYVVDX-KRWDZBQOSA-N 0 1 299.418 3.639 20 0 CHADMN C[C@H]1CCC[C@H](C)N(Cc2noc(-c3ccsc3)n2)C1 ZINC000131014175 1125487489 /nfs/dbraw/zinc/48/74/89/1125487489.db2.gz TXIAPYHFJJLWED-RYUDHWBXSA-N 0 1 291.420 3.809 20 0 CHADMN CC[N@@H+](CCOc1ccc(C(=O)[O-])cc1Cl)C(C)(C)C ZINC001596345415 983793825 /nfs/dbraw/zinc/79/38/25/983793825.db2.gz JAXHJTDWXPJVTE-UHFFFAOYSA-N 0 1 299.798 3.537 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])c(C)c1)C1CC(C)(C)C1 ZINC001596357892 983830364 /nfs/dbraw/zinc/83/03/64/983830364.db2.gz QOTOOYFOJDTVGF-UHFFFAOYSA-N 0 1 275.392 3.704 20 0 CHADMN CC[N@@H+](Cc1ccccc1CC(C)C)C(C)(C)C(=O)[O-] ZINC001596371700 983872147 /nfs/dbraw/zinc/87/21/47/983872147.db2.gz IBEUTLZKZRNSBR-UHFFFAOYSA-N 0 1 277.408 3.570 20 0 CHADMN CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1C ZINC000075703261 1119179671 /nfs/dbraw/zinc/17/96/71/1119179671.db2.gz FLPFYPSIYOXJAF-GFCCVEGCSA-N 0 1 282.815 3.707 20 0 CHADMN CCCCCN(C(=O)c1cccc2c[nH]nc21)C(C)C ZINC000048967691 1125489330 /nfs/dbraw/zinc/48/93/30/1125489330.db2.gz SPRAIGMZYKSLTG-UHFFFAOYSA-N 0 1 273.380 3.604 20 0 CHADMN CC[C@H](NCc1ccc(C)s1)c1ccc(F)cn1 ZINC000131313113 1125491417 /nfs/dbraw/zinc/49/14/17/1125491417.db2.gz CCPPLTKOXGMBAY-ZDUSSCGKSA-N 0 1 264.369 3.832 20 0 CHADMN CC[C@H](NCc1cscc1C)c1ccc(F)cn1 ZINC000131370407 1125492292 /nfs/dbraw/zinc/49/22/92/1125492292.db2.gz MNRPODOAFUGXMG-ZDUSSCGKSA-N 0 1 264.369 3.832 20 0 CHADMN CC[C@@H](NCc1sccc1C)c1ccc(F)cn1 ZINC000131369797 1125492549 /nfs/dbraw/zinc/49/25/49/1125492549.db2.gz OAOGMXKOLUSIBV-GFCCVEGCSA-N 0 1 264.369 3.832 20 0 CHADMN Cc1[nH]c(C[N@H+]2CCC[C@@H]2C2CCCCC2)cc1C(=O)[O-] ZINC001599962925 985828810 /nfs/dbraw/zinc/82/88/10/985828810.db2.gz NKOQDYSVABAPOM-MRXNPFEDSA-N 0 1 290.407 3.566 20 0 CHADMN COc1cc(F)cc(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213075242 1125494472 /nfs/dbraw/zinc/49/44/72/1125494472.db2.gz KVCMWJHUSAOVME-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2F)[C@@H]2CCCC[C@H]21 ZINC001594537104 986158436 /nfs/dbraw/zinc/15/84/36/986158436.db2.gz VCQDVRWZRQVNGL-DIOULYMOSA-N 0 1 291.366 3.534 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](C[C@H]1CCCC(C)(C)C1)C1CCC1 ZINC001589486360 987026067 /nfs/dbraw/zinc/02/60/67/987026067.db2.gz MVFFCVZPPTWGAR-OLZOCXBDSA-N 0 1 267.413 3.530 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1Nc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC001597258447 987268814 /nfs/dbraw/zinc/26/88/14/987268814.db2.gz MNKPERVJOPBGQD-CHWSQXEVSA-N 0 1 294.420 3.564 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@H+]([C@H](C)c2ccccc2Cl)C1 ZINC000300288451 1119691007 /nfs/dbraw/zinc/69/10/07/1119691007.db2.gz SSWRFEYXYQKZDP-WBMJQRKESA-N 0 1 295.810 3.834 20 0 CHADMN CCc1nc(C)c([C@H](C)NCc2scnc2C)s1 ZINC000132339646 1125501413 /nfs/dbraw/zinc/50/14/13/1125501413.db2.gz FASZQUWCPQXBAQ-VIFPVBQESA-N 0 1 281.450 3.630 20 0 CHADMN CC(C)(C)[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC001589732827 987969081 /nfs/dbraw/zinc/96/90/81/987969081.db2.gz YYPJAFAAEQRTBU-JSGCOSHPSA-N 0 1 295.810 3.834 20 0 CHADMN CC(C)(C)C[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC001589764748 988108147 /nfs/dbraw/zinc/10/81/47/988108147.db2.gz VTUWKYAOHILWRE-WFASDCNBSA-N 0 1 293.382 3.710 20 0 CHADMN CCc1ccc(C[N@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)o1 ZINC001597527431 988176434 /nfs/dbraw/zinc/17/64/34/988176434.db2.gz MRSSMOWUISGTBX-IRXDYDNUSA-N 0 1 299.370 3.632 20 0 CHADMN CCc1ccccc1C[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC001597609512 988496785 /nfs/dbraw/zinc/49/67/85/988496785.db2.gz PPMQFLAYTZSGIY-KRWDZBQOSA-N 0 1 283.371 3.507 20 0 CHADMN CCC[C@@H](CNCc1c(Cl)cccc1Cl)OC ZINC000378686043 1120122262 /nfs/dbraw/zinc/12/22/62/1120122262.db2.gz DYSYEGSGNNNYED-JTQLQIEISA-N 0 1 276.207 3.898 20 0 CHADMN CCCCCN(CCCCC)C(=O)c1cc(C)[nH]n1 ZINC000056868885 1120137953 /nfs/dbraw/zinc/13/79/53/1120137953.db2.gz CHUMJTSJELPXOI-UHFFFAOYSA-N 0 1 265.401 3.541 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2)C1 ZINC001591087461 991608639 /nfs/dbraw/zinc/60/86/39/991608639.db2.gz MWRHOJPGEGDZHP-DZGCQCFKSA-N 0 1 295.810 3.834 20 0 CHADMN CC(C)[C@H]1[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)CC12CCCCC2 ZINC001591099222 991708346 /nfs/dbraw/zinc/70/83/46/991708346.db2.gz IOVLJLROJMOCEE-OAHLLOKOSA-N 0 1 290.407 3.504 20 0 CHADMN C[N@@H+](C[C@@H]1CCCC[C@H]1C(=O)[O-])C1CCC(C)(C)CC1 ZINC001598455922 991935934 /nfs/dbraw/zinc/93/59/34/991935934.db2.gz QJTCOVNPGFZNAM-DZGCQCFKSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)C[C@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001591206291 992033132 /nfs/dbraw/zinc/03/31/32/992033132.db2.gz PZYAXUCVNDDCFN-CQSZACIVSA-N 0 1 278.396 3.504 20 0 CHADMN C[N@@H+](CCC1CCCCC1)C[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001598472811 992053642 /nfs/dbraw/zinc/05/36/42/992053642.db2.gz UCHNVEBZKPFYAB-JKSUJKDBSA-N 0 1 281.440 3.780 20 0 CHADMN CC(C)CC[C@@H]1CCCC[N@H+]1Cc1occc1C(=O)[O-] ZINC001591228613 992104775 /nfs/dbraw/zinc/10/47/75/992104775.db2.gz SDJQYSDAMKBLLL-ZDUSSCGKSA-N 0 1 279.380 3.769 20 0 CHADMN CC(C)C[N@@H+](Cc1c(F)cccc1F)CC(C)(C)C(=O)[O-] ZINC001591342465 992320026 /nfs/dbraw/zinc/32/00/26/992320026.db2.gz BTNCPRWQNBDTFA-UHFFFAOYSA-N 0 1 299.361 3.534 20 0 CHADMN C[N@@H+](Cc1cc(C(=O)[O-])co1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001598507920 992532163 /nfs/dbraw/zinc/53/21/63/992532163.db2.gz XAUUWJAYKTXADT-IAGOWNOFSA-N 0 1 299.370 3.746 20 0 CHADMN CC[C@H](CC(F)F)CN1CCO[C@H](c2cccs2)C1 ZINC000660006050 1120338383 /nfs/dbraw/zinc/33/83/83/1120338383.db2.gz YGJNKESSUKSQGQ-NEPJUHHUSA-N 0 1 289.391 3.803 20 0 CHADMN Fc1ccc2nc(CN[C@@H]3C=CCCC3)sc2c1 ZINC000428863708 1120543468 /nfs/dbraw/zinc/54/34/68/1120543468.db2.gz RCYXFXVKGKDEDT-LLVKDONJSA-N 0 1 262.353 3.634 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001593689240 996131103 /nfs/dbraw/zinc/13/11/03/996131103.db2.gz DEWVIYPDPFKFNV-UKRRQHHQSA-N 0 1 299.370 3.918 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001593689238 996131398 /nfs/dbraw/zinc/13/13/98/996131398.db2.gz DEWVIYPDPFKFNV-DZGCQCFKSA-N 0 1 299.370 3.918 20 0 CHADMN C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC001593693400 996143943 /nfs/dbraw/zinc/14/39/43/996143943.db2.gz LKZGQOZTXXMUCS-SJCJKPOMSA-N 0 1 293.382 3.544 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001593698348 996163470 /nfs/dbraw/zinc/16/34/70/996163470.db2.gz HQSRBSQEIFLRCA-WMFXKJRFSA-N 0 1 299.773 3.583 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001593711104 996211176 /nfs/dbraw/zinc/21/11/76/996211176.db2.gz PRSYJHDUQMOOBK-NHAQELONSA-N 0 1 285.343 3.570 20 0 CHADMN Cc1nc(CN2CC[C@H](C(C)(C)C)C[C@H]2C)co1 ZINC000660556025 1120658256 /nfs/dbraw/zinc/65/82/56/1120658256.db2.gz CIKQORQALLGLLP-YPMHNXCESA-N 0 1 250.386 3.630 20 0 CHADMN CCO[C@@H](CN[C@H](C)c1c(F)cccc1Cl)C1CC1 ZINC000625309357 1120665106 /nfs/dbraw/zinc/66/51/06/1120665106.db2.gz MCWMYQNVFGLULA-YGRLFVJLSA-N 0 1 285.790 3.945 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC001593942328 996965294 /nfs/dbraw/zinc/96/52/94/996965294.db2.gz FHLOZEPEOABOOI-QGZVFWFLSA-N 0 1 295.382 3.968 20 0 CHADMN Fc1cc(F)c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1F ZINC000511893496 1120779861 /nfs/dbraw/zinc/77/98/61/1120779861.db2.gz YTENAKMIAKPSPO-BMIGLBTASA-N 0 1 269.310 3.868 20 0 CHADMN Fc1cc(F)c(CN2CCC[C@H]3CCC[C@@H]32)cc1F ZINC000511893496 1120779865 /nfs/dbraw/zinc/77/98/65/1120779865.db2.gz YTENAKMIAKPSPO-BMIGLBTASA-N 0 1 269.310 3.868 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccccc2C)sn1 ZINC001175034818 1121153112 /nfs/dbraw/zinc/15/31/12/1121153112.db2.gz CZDRNSRUKPVDHR-CYBMUJFWSA-N 0 1 260.406 3.953 20 0 CHADMN CC(C)(C)c1csc(CN2CCC[C@@H]2C2CC2)n1 ZINC000674863934 1121188181 /nfs/dbraw/zinc/18/81/81/1121188181.db2.gz TZQBMRZDOXSRAK-GFCCVEGCSA-N 0 1 264.438 3.815 20 0 CHADMN CCC(CC)(CC)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000675433003 1121290155 /nfs/dbraw/zinc/29/01/55/1121290155.db2.gz ATDIRLCPKIVXJX-ZDUSSCGKSA-N 0 1 296.480 3.683 20 0 CHADMN CC1(C)CN(C/C=C/c2ccc(F)cc2F)CCS1 ZINC000543631874 1121538573 /nfs/dbraw/zinc/53/85/73/1121538573.db2.gz TVECXTPNTSQYAW-ONEGZZNKSA-N 0 1 283.387 3.805 20 0 CHADMN C[C@H](NCC1CCC(C(F)(F)F)CC1)c1csnn1 ZINC000412029644 1121637578 /nfs/dbraw/zinc/63/75/78/1121637578.db2.gz ADPRRJNPFNDAOJ-IDKOKCKLSA-N 0 1 293.358 3.557 20 0 CHADMN Cc1ncn(C)c1Nc1cc(Cl)cc(Cl)c1 ZINC001176570474 1121657247 /nfs/dbraw/zinc/65/72/47/1121657247.db2.gz JSPCXBCBEWTTDT-UHFFFAOYSA-N 0 1 256.136 3.779 20 0 CHADMN CCc1nnc(CN(CC(C)(C)C)CC(C)(C)C)s1 ZINC000680076355 1121669475 /nfs/dbraw/zinc/66/94/75/1121669475.db2.gz WAYASMAPNNJSRV-UHFFFAOYSA-N 0 1 283.485 3.995 20 0 CHADMN Cc1cccnc1[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001176899406 1121701683 /nfs/dbraw/zinc/70/16/83/1121701683.db2.gz ZSEVVXAABAJCCX-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN CCC[C@H](C)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000501009153 1121937375 /nfs/dbraw/zinc/93/73/75/1121937375.db2.gz XFPSCVZMCNAQPG-XJKSGUPXSA-N 0 1 265.372 3.696 20 0 CHADMN C[C@]1(F)CCN(CCc2cccc(OC(F)(F)F)c2)C1 ZINC000501414492 1121975439 /nfs/dbraw/zinc/97/54/39/1121975439.db2.gz ALMUTIIZAAXBCZ-ZDUSSCGKSA-N 0 1 291.288 3.562 20 0 CHADMN COC1(CN(C)Cc2ccc(F)cc2F)CCCCC1 ZINC001180532371 1121993920 /nfs/dbraw/zinc/99/39/20/1121993920.db2.gz QJLXCSJUGNVJQH-UHFFFAOYSA-N 0 1 283.362 3.746 20 0 CHADMN Clc1ccc(CN[C@H]2CCCc3sccc32)nc1 ZINC000271901645 1122181764 /nfs/dbraw/zinc/18/17/64/1122181764.db2.gz VQWYZRNZEAEPGQ-ZDUSSCGKSA-N 0 1 278.808 3.964 20 0 CHADMN FC[C@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)C1 ZINC001183521210 1122225842 /nfs/dbraw/zinc/22/58/42/1122225842.db2.gz WQZIMZMJOMKCIO-SECBINFHSA-N 0 1 279.252 3.636 20 0 CHADMN CC(C)c1ncc(C[N@H+]2CCSC(C)(C)CC2)s1 ZINC000435039175 1122428836 /nfs/dbraw/zinc/42/88/36/1122428836.db2.gz BSSLBZJFIVLQHO-UHFFFAOYSA-N 0 1 284.494 3.984 20 0 CHADMN C[C@@H](F)CCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000505665065 1122458664 /nfs/dbraw/zinc/45/86/64/1122458664.db2.gz TUMIRXVXRPQHTE-WSKFYRRCSA-N 0 1 277.368 3.815 20 0 CHADMN CC[C@@H]1CN(Cc2cccc(C(C)C)c2)C[C@H](C)O1 ZINC001191047767 1122571796 /nfs/dbraw/zinc/57/17/96/1122571796.db2.gz IHOFOEWOTGLQCU-WMLDXEAASA-N 0 1 261.409 3.809 20 0 CHADMN COc1ccc(CN2CCCC[C@@H]2C)c(Cl)c1 ZINC000505913895 1122600308 /nfs/dbraw/zinc/60/03/08/1122600308.db2.gz XHMPUCQIHXASSH-NSHDSACASA-N 0 1 253.773 3.723 20 0 CHADMN CCC[C@H](C)CCCN1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC001196274541 1122915487 /nfs/dbraw/zinc/91/54/87/1122915487.db2.gz HVZLJHVBZQAISZ-GUTXKFCHSA-N 0 1 277.399 3.947 20 0 CHADMN Cc1cc([C@@H]([NH2+]Cc2cccs2)C(=O)[O-])ccc1Cl ZINC000426786429 1122916015 /nfs/dbraw/zinc/91/60/15/1122916015.db2.gz VLJWVZMCDAWZAU-CYBMUJFWSA-N 0 1 295.791 3.625 20 0 CHADMN CC[C@@H]1CCC[C@H](C)N1Cc1cnc(OC)c(Cl)c1 ZINC001196330383 1122917455 /nfs/dbraw/zinc/91/74/55/1122917455.db2.gz XBTLTYPRZHJTGE-WCQYABFASA-N 0 1 282.815 3.897 20 0 CHADMN CCC1(CC)CCCN(Cc2ccc(Cl)nn2)C1 ZINC000690530711 1123040303 /nfs/dbraw/zinc/04/03/03/1123040303.db2.gz LQORKMCTBGTHJJ-UHFFFAOYSA-N 0 1 267.804 3.532 20 0 CHADMN Cc1cc(F)cc(CN2CCC(F)(F)[C@@H](C)C2)c1 ZINC001143580459 1123064950 /nfs/dbraw/zinc/06/49/50/1123064950.db2.gz KTLQVLAPSSNZII-NSHDSACASA-N 0 1 257.299 3.611 20 0 CHADMN CCC1CCN(Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000520272789 1123068932 /nfs/dbraw/zinc/06/89/32/1123068932.db2.gz GVIUDMXBNWHDPK-UHFFFAOYSA-N 0 1 281.783 3.691 20 0 CHADMN COc1ccc(C(C)=O)c(N=C2CCSCC2)c1Cl ZINC001201342018 1123089545 /nfs/dbraw/zinc/08/95/45/1123089545.db2.gz GCCGINGVXLRFPH-UHFFFAOYSA-N 0 1 297.807 3.984 20 0 CHADMN CCN(Cc1cc(C)no1)[C@H](C)c1ccc(F)cc1 ZINC000053088436 1123199134 /nfs/dbraw/zinc/19/91/34/1123199134.db2.gz IBUVYFNHVFODKE-GFCCVEGCSA-N 0 1 262.328 3.705 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(Cl)c(Cl)c2)n(C)n1 ZINC000850533327 1123286177 /nfs/dbraw/zinc/28/61/77/1123286177.db2.gz VWYKLUZWDSAKPO-SNVBAGLBSA-N 0 1 298.217 3.886 20 0 CHADMN CC(C)(C)c1cnc(CN2CC[C@H](C3CCC3)C2)o1 ZINC000665286982 1123323411 /nfs/dbraw/zinc/32/34/11/1123323411.db2.gz ZEEMJYHOXRYERF-ZDUSSCGKSA-N 0 1 262.397 3.594 20 0 CHADMN CC(C)[C@H](N)c1cc(-c2ccc(Br)cc2)no1 ZINC000302389156 1123380540 /nfs/dbraw/zinc/38/05/40/1123380540.db2.gz QMCNEYRKOYNLFU-ZDUSSCGKSA-N 0 1 295.180 3.760 20 0 CHADMN C[C@]1(CNCc2csc(C(F)(F)F)n2)C[C@H]2C[C@H]2C1 ZINC000895630663 1123499018 /nfs/dbraw/zinc/49/90/18/1123499018.db2.gz KLKUCIUBVVDZAJ-GDGBQDQQSA-N 0 1 290.354 3.688 20 0 CHADMN CC(C)(C)c1csc(CNC[C@H]2C(C)(C)C2(F)F)n1 ZINC000865630667 1124000662 /nfs/dbraw/zinc/00/06/62/1124000662.db2.gz FUIXOQUHVAQMDP-VIFPVBQESA-N 0 1 288.407 3.822 20 0 CHADMN Cc1cnc(CNCC2(O)CCC(C(C)(C)C)CC2)s1 ZINC000449149911 1124657023 /nfs/dbraw/zinc/65/70/23/1124657023.db2.gz PIIBVEGPZBJYLE-UHFFFAOYSA-N 0 1 296.480 3.509 20 0 CHADMN FC(F)(F)[C@H]1CC=CC[C@@H]1NCc1ncccc1Cl ZINC000528559698 1124689816 /nfs/dbraw/zinc/68/98/16/1124689816.db2.gz BWOZKZQOSHMHQZ-ONGXEEELSA-N 0 1 290.716 3.722 20 0 CHADMN COc1cc(F)cc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000449295914 1124685775 /nfs/dbraw/zinc/68/57/75/1124685775.db2.gz WAWONKYQFNZTDQ-ZANVPECISA-N 0 1 291.288 3.607 20 0 CHADMN CS[C@H]1CCN(Cc2cc(C)ccc2OC(F)F)C1 ZINC000449446761 1124741345 /nfs/dbraw/zinc/74/13/45/1124741345.db2.gz SUPYTVJMWCJTNS-LBPRGKRZSA-N 0 1 287.375 3.534 20 0 CHADMN CO[C@@H]1CCN(Cc2c(Cl)cccc2Cl)C[C@H]1C ZINC000449492398 1124761079 /nfs/dbraw/zinc/76/10/79/1124761079.db2.gz BXLGEJPLSPINMV-QMTHXVAHSA-N 0 1 288.218 3.850 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CC[C@@](C)(C(F)(F)F)C1 ZINC000877812034 1125082696 /nfs/dbraw/zinc/08/26/96/1125082696.db2.gz FUBYNDCSNVPKTJ-CYBMUJFWSA-N 0 1 289.345 3.547 20 0 CHADMN Cc1cc(CN2CCO[C@@H](C(F)(F)F)CC2)c(C)s1 ZINC000877819545 1125085191 /nfs/dbraw/zinc/08/51/91/1125085191.db2.gz FMJPKIXRTPALPK-GFCCVEGCSA-N 0 1 293.354 3.518 20 0 CHADMN CCC1(CC)CN(CCC2=CCCCC2)CC[S@]1=O ZINC000450758806 1125104225 /nfs/dbraw/zinc/10/42/25/1125104225.db2.gz PAYROJIUGVABSX-LJQANCHMSA-N 0 1 283.481 3.500 20 0 CHADMN FC[C@H]1CCCN1[C@H]1CCc2c(Cl)cccc2C1 ZINC001171059403 1131474510 /nfs/dbraw/zinc/47/45/10/1131474510.db2.gz OTPMICNTAVZNNM-QWHCGFSZSA-N 0 1 267.775 3.631 20 0 CHADMN Fc1cc(CN2CCCCCCCC2)c(F)cn1 ZINC000824983389 1131493448 /nfs/dbraw/zinc/49/34/48/1131493448.db2.gz VJMCDGLFLYGUSR-UHFFFAOYSA-N 0 1 254.324 3.516 20 0 CHADMN CC(C)c1nc(CN(CCCCCO)C(C)C)cs1 ZINC001138887822 1131557987 /nfs/dbraw/zinc/55/79/87/1131557987.db2.gz CKNLEFFPOWMADU-UHFFFAOYSA-N 0 1 284.469 3.640 20 0 CHADMN COc1ccc(F)c(CN2CCC[C@H](C)[C@H]2C)c1F ZINC001143977683 1131565319 /nfs/dbraw/zinc/56/53/19/1131565319.db2.gz LPXHQQANTPBAHE-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN CC(C)[C@H](N)c1noc(/C=C\C2CCCCCC2)n1 ZINC000844906717 1131607573 /nfs/dbraw/zinc/60/75/73/1131607573.db2.gz SHXWFEUSWDMIGP-CMUBDUJZSA-N 0 1 263.385 3.709 20 0 CHADMN COc1cc(C[N@H+]2CCCC[C@H]2C)ccc1Cl ZINC001139610832 1131621327 /nfs/dbraw/zinc/62/13/27/1131621327.db2.gz JPHYMXNXXLMELQ-LLVKDONJSA-N 0 1 253.773 3.723 20 0 CHADMN COc1cc(CN2CCCC[C@H]2C)ccc1Cl ZINC001139610832 1131621330 /nfs/dbraw/zinc/62/13/30/1131621330.db2.gz JPHYMXNXXLMELQ-LLVKDONJSA-N 0 1 253.773 3.723 20 0 CHADMN CCC1CCN(Cc2cccc(Cl)c2OC)CC1 ZINC001140056708 1131659481 /nfs/dbraw/zinc/65/94/81/1131659481.db2.gz HPHVQEVRSHOXCN-UHFFFAOYSA-N 0 1 267.800 3.971 20 0 CHADMN CN(Cc1ccccc1)Cc1cc(O)cc(Cl)c1 ZINC001140786340 1131915873 /nfs/dbraw/zinc/91/58/73/1131915873.db2.gz MQASLZFDGZMKJY-UHFFFAOYSA-N 0 1 261.752 3.678 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc(F)c1)c1ccns1 ZINC000715969622 1132000880 /nfs/dbraw/zinc/00/08/80/1132000880.db2.gz YCLJZEPRMKBEPY-UWVGGRQHSA-N 0 1 250.342 3.694 20 0 CHADMN CCC[C@H](C)[C@@H](CC)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231048668 1132248727 /nfs/dbraw/zinc/24/87/27/1132248727.db2.gz QZDQGTAUTZDQAC-WCBMZHEXSA-N 0 1 282.775 3.600 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c(Cl)n1 ZINC001142125322 1132329903 /nfs/dbraw/zinc/32/99/03/1132329903.db2.gz PLBFARJYMZPKPI-CHWSQXEVSA-N 0 1 264.800 3.665 20 0 CHADMN Cc1c(F)cc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)cc1F ZINC001232421706 1132467572 /nfs/dbraw/zinc/46/75/72/1132467572.db2.gz NUCKJZIWVOFESP-ZIAGYGMSSA-N 0 1 265.347 3.895 20 0 CHADMN FC(F)(F)c1ccc(CN2CC[C@H]3CCC[C@H]3C2)o1 ZINC001232441509 1132469406 /nfs/dbraw/zinc/46/94/06/1132469406.db2.gz PKSICFOXGOIIKZ-MNOVXSKESA-N 0 1 273.298 3.920 20 0 CHADMN CCCOC1CCN(Cc2cc(F)c(C)c(F)c2)CC1 ZINC001232422424 1132469651 /nfs/dbraw/zinc/46/96/51/1132469651.db2.gz FKTNWLAHCBDDJV-UHFFFAOYSA-N 0 1 283.362 3.664 20 0 CHADMN C[C@@H]1CC[N@H+](Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232626541 1132497931 /nfs/dbraw/zinc/49/79/31/1132497931.db2.gz ZMAYBDVSWASIDS-MRVPVSSYSA-N 0 1 260.164 3.541 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232626541 1132497935 /nfs/dbraw/zinc/49/79/35/1132497935.db2.gz ZMAYBDVSWASIDS-MRVPVSSYSA-N 0 1 260.164 3.541 20 0 CHADMN COc1c(F)ccc(CN2CCCCCCC2)c1F ZINC001143322044 1132536130 /nfs/dbraw/zinc/53/61/30/1132536130.db2.gz SNWZFUVTMAUDJJ-UHFFFAOYSA-N 0 1 269.335 3.740 20 0 CHADMN C[C@@H]1CCN(Cc2cc(O)cc(Br)c2)[C@@H](C)C1 ZINC001232998019 1132561194 /nfs/dbraw/zinc/56/11/94/1132561194.db2.gz CYFHAWGHYJCKIO-MNOVXSKESA-N 0 1 298.224 3.775 20 0 CHADMN COc1cc(Cl)cc(F)c1CN(C)CC(C)(C)C ZINC001233002683 1132559799 /nfs/dbraw/zinc/55/97/99/1132559799.db2.gz ANDKXBPNHZUWAE-UHFFFAOYSA-N 0 1 273.779 3.966 20 0 CHADMN CCOc1ncc(Cl)cc1CN1C[C@H](C)C[C@@H](C)C1 ZINC001233173260 1132576132 /nfs/dbraw/zinc/57/61/32/1132576132.db2.gz MQXTVMDUNDTKOZ-VXGBXAGGSA-N 0 1 282.815 3.612 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc([S-])cc2)CCC1(F)F ZINC001233258468 1132590685 /nfs/dbraw/zinc/59/06/85/1132590685.db2.gz GFMHJOZIQWWBPP-LLVKDONJSA-N 0 1 271.376 3.843 20 0 CHADMN CSc1cccc(Cl)c1C[N@H+]1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001233353012 1132609161 /nfs/dbraw/zinc/60/91/61/1132609161.db2.gz CLYSMELOBCFPTP-JTNHKYCSSA-N 0 1 297.851 3.529 20 0 CHADMN CSc1cccc(Cl)c1CN1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001233353012 1132609169 /nfs/dbraw/zinc/60/91/69/1132609169.db2.gz CLYSMELOBCFPTP-JTNHKYCSSA-N 0 1 297.851 3.529 20 0 CHADMN Cc1cnc(NC2CCC(C(F)(F)F)CC2)c(N)c1 ZINC001156414569 1132693994 /nfs/dbraw/zinc/69/39/94/1132693994.db2.gz UIBWZVCGABLUFC-UHFFFAOYSA-N 0 1 273.302 3.505 20 0 CHADMN C[C@@H]1CN(Cc2cccc(Cl)c2Cl)CCC[C@@H]1O ZINC001204181290 1133416448 /nfs/dbraw/zinc/41/64/48/1133416448.db2.gz LTZGCVJWYVFERG-MFKMUULPSA-N 0 1 288.218 3.586 20 0 CHADMN COc1cc(Cl)c(NC2=CC[N@@H+](C)CC2)c(Cl)c1 ZINC001208910891 1133961363 /nfs/dbraw/zinc/96/13/63/1133961363.db2.gz VCUWUAOAIRRCGL-UHFFFAOYSA-N 0 1 287.190 3.633 20 0 CHADMN C[C@@H]1C[C@H]1CN1CCc2c(cccc2C(F)(F)F)C1 ZINC001209434293 1134019003 /nfs/dbraw/zinc/01/90/03/1134019003.db2.gz XLGZTRNMXISQJN-PWSUYJOCSA-N 0 1 269.310 3.720 20 0 CHADMN COc1c(Cl)ccc(C[N@@H+](C)CC(C)(C)C)c1F ZINC001209700402 1134051495 /nfs/dbraw/zinc/05/14/95/1134051495.db2.gz FTKLCZIMFLMWML-UHFFFAOYSA-N 0 1 273.779 3.966 20 0 CHADMN C[N@H+]1CCC[C@@H](Oc2cc(Cl)c(O)cc2Cl)CC1 ZINC001227641856 1135852085 /nfs/dbraw/zinc/85/20/85/1135852085.db2.gz SPUUESVLXAIPMN-SECBINFHSA-N 0 1 290.190 3.562 20 0 CHADMN C[N@@H+]1CCC[C@@H](Oc2cc(Cl)c([O-])cc2Cl)CC1 ZINC001227641856 1135852089 /nfs/dbraw/zinc/85/20/89/1135852089.db2.gz SPUUESVLXAIPMN-SECBINFHSA-N 0 1 290.190 3.562 20 0 CHADMN C[N@H+]1CCC[C@@H](Oc2cc(Cl)c([O-])cc2Cl)CC1 ZINC001227641856 1135852091 /nfs/dbraw/zinc/85/20/91/1135852091.db2.gz SPUUESVLXAIPMN-SECBINFHSA-N 0 1 290.190 3.562 20 0 CHADMN Cc1ccc(CN(Cc2cccnc2)C2CC2)cc1C ZINC000133110429 1125508628 /nfs/dbraw/zinc/50/86/28/1125508628.db2.gz MHSIJMYXSQSNQZ-UHFFFAOYSA-N 0 1 266.388 3.863 20 0 CHADMN CCCc1nc(CN(CC(C)C)C2CC2)cs1 ZINC000051735121 1125512539 /nfs/dbraw/zinc/51/25/39/1125512539.db2.gz VXJPZMAKMHEMRU-UHFFFAOYSA-N 0 1 252.427 3.716 20 0 CHADMN c1csc(CN2CCCC3(CCCCC3)C2)n1 ZINC000135071172 1125521295 /nfs/dbraw/zinc/52/12/95/1125521295.db2.gz MEVGBEIYBMSQPQ-UHFFFAOYSA-N 0 1 250.411 3.689 20 0 CHADMN C[C@@]1(c2ccccc2)CCCN(Cc2nccs2)C1 ZINC000135079799 1125522423 /nfs/dbraw/zinc/52/24/23/1125522423.db2.gz IPIWEWQZXQXLAQ-MRXNPFEDSA-N 0 1 272.417 3.697 20 0 CHADMN CCCN(C(=O)c1ccn[nH]1)[C@H](C)c1cc2ccccc2o1 ZINC000053371995 1125524224 /nfs/dbraw/zinc/52/42/24/1125524224.db2.gz NOVXRCYNAAOTNF-GFCCVEGCSA-N 0 1 297.358 3.769 20 0 CHADMN CC[C@H](N[C@@H]1C[C@H]1C(F)F)c1ccc(F)cc1F ZINC000348312036 1125524952 /nfs/dbraw/zinc/52/49/52/1125524952.db2.gz UKKCDBQYQJYOQB-ADEWGFFLSA-N 0 1 261.262 3.659 20 0 CHADMN CC(=O)Nc1cccc(CN([C@H](C)c2ccco2)C2CC2)c1 ZINC000119247524 1125531267 /nfs/dbraw/zinc/53/12/67/1125531267.db2.gz AWHMBRJQJDDIMI-CYBMUJFWSA-N 0 1 298.386 3.964 20 0 CHADMN CC(C)(C)[C@H]1CCCC[C@H]1NCc1nnc(C2CC2)o1 ZINC000532701186 1125533936 /nfs/dbraw/zinc/53/39/36/1125533936.db2.gz IQKLRTUUPIMGAV-QWHCGFSZSA-N 0 1 277.412 3.642 20 0 CHADMN COc1cc(C)ccc1CN[C@H](C)c1cnn(C(C)C)c1 ZINC000119863014 1125538909 /nfs/dbraw/zinc/53/89/09/1125538909.db2.gz DXSJQCSRSWLXDC-CQSZACIVSA-N 0 1 287.407 3.632 20 0 CHADMN COc1cc2c(cc1OC)CN([C@@H](C)c1ccccc1)CC2 ZINC000138818103 1125539979 /nfs/dbraw/zinc/53/99/79/1125539979.db2.gz ATZLHOYNOLLLDD-AWEZNQCLSA-N 0 1 297.398 3.823 20 0 CHADMN C[C@H](NCc1cc(F)ccc1F)c1ccsc1 ZINC000061361133 1125546474 /nfs/dbraw/zinc/54/64/74/1125546474.db2.gz GOMJOKPLSSDCTR-VIFPVBQESA-N 0 1 253.317 3.877 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccccc2Cl)cn1 ZINC000062051137 1125547744 /nfs/dbraw/zinc/54/77/44/1125547744.db2.gz MSGFBQZWXUXDBY-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN CCC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000195374571 1125561025 /nfs/dbraw/zinc/56/10/25/1125561025.db2.gz BQIXSKGSOCDPQX-XJKSGUPXSA-N 0 1 299.418 3.971 20 0 CHADMN Fc1ccc([C@H](N[C@@H]2CC[C@@H](F)C2)c2ccccc2)nc1 ZINC000348325549 1125562177 /nfs/dbraw/zinc/56/21/77/1125562177.db2.gz LWLOYUIRQCWZTE-FRFSOERESA-N 0 1 288.341 3.790 20 0 CHADMN CN(CCc1cccs1)Cc1cc(-c2ccco2)on1 ZINC000195313798 1125563467 /nfs/dbraw/zinc/56/34/67/1125563467.db2.gz VFYGZFBRRVQJLS-UHFFFAOYSA-N 0 1 288.372 3.671 20 0 CHADMN C[C@H](c1cccc(Cl)c1)N1CCCO[C@@H](C)C1 ZINC000245401030 1125571832 /nfs/dbraw/zinc/57/18/32/1125571832.db2.gz DEGPTCGBXYYILI-NWDGAFQWSA-N 0 1 253.773 3.512 20 0 CHADMN C[C@@H]1CCN(Cc2ccccn2)[C@H]1c1cccc(F)c1 ZINC000245411520 1125571941 /nfs/dbraw/zinc/57/19/41/1125571941.db2.gz XFHAFURJURUOOR-CXAGYDPISA-N 0 1 270.351 3.804 20 0 CHADMN COc1ccc(CN2C[C@@H](C)S[C@H](C)C2)cc1Cl ZINC000532802794 1125583377 /nfs/dbraw/zinc/58/33/77/1125583377.db2.gz KWYYYKWGMQSFOV-GHMZBOCLSA-N 0 1 285.840 3.674 20 0 CHADMN COc1ncc(CN(C)[C@H](C)c2ccccc2)cc1Cl ZINC000532779595 1125580138 /nfs/dbraw/zinc/58/01/38/1125580138.db2.gz FVVIKNBIOZRBRP-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN CCOCc1cccc(NCc2ccc3nc[nH]c3c2)c1 ZINC000532887890 1125587202 /nfs/dbraw/zinc/58/72/02/1125587202.db2.gz RBSVOLINMYBJKQ-UHFFFAOYSA-N 0 1 281.359 3.712 20 0 CHADMN Cc1nc(C2CCN(c3nc4ccccc4o3)CC2)[nH]c1C ZINC000884708089 1125590518 /nfs/dbraw/zinc/59/05/18/1125590518.db2.gz MJCSOTMQMKGYIE-UHFFFAOYSA-N 0 1 296.374 3.552 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@H](C)c2csc(CC)n2)C12CCC2 ZINC000245870494 1125596713 /nfs/dbraw/zinc/59/67/13/1125596713.db2.gz JIGDHNLJUKIYKC-MRVWCRGKSA-N 0 1 294.464 3.704 20 0 CHADMN CCCN(C)Cc1c(C(=O)OC)sc2cccc(F)c21 ZINC000532939188 1125590980 /nfs/dbraw/zinc/59/09/80/1125590980.db2.gz UHUPUTMISHLESL-UHFFFAOYSA-N 0 1 295.379 3.669 20 0 CHADMN C[C@H](N[C@@H](CO)CC(F)F)c1ccc(-c2ccccc2)o1 ZINC000429446284 1125592308 /nfs/dbraw/zinc/59/23/08/1125592308.db2.gz CZCRHLCPQSQMCR-WCQYABFASA-N 0 1 295.329 3.613 20 0 CHADMN COc1ccc(CN2C[C@@H](C)[C@@H]2c2ccccc2)cc1O ZINC000245764135 1125594285 /nfs/dbraw/zinc/59/42/85/1125594285.db2.gz QJSPMBXWLIEWQH-FZKQIMNGSA-N 0 1 283.371 3.594 20 0 CHADMN C[C@@H](NC[C@H]1CCC[C@@H](C)C1)c1nc(C(C)(C)C)no1 ZINC000237352236 1125597311 /nfs/dbraw/zinc/59/73/11/1125597311.db2.gz XRHLHHSJEVGWRQ-UPJWGTAASA-N 0 1 279.428 3.844 20 0 CHADMN C[C@@H](NCCc1cccnc1)c1ncc(-c2ccccc2)o1 ZINC000348342827 1125598232 /nfs/dbraw/zinc/59/82/32/1125598232.db2.gz LZOVLNRADOYTAB-CQSZACIVSA-N 0 1 293.370 3.630 20 0 CHADMN CCc1nc(CN[C@@H](C)[C@@H]2C[C@H]2c2cccs2)co1 ZINC000841758733 1125600371 /nfs/dbraw/zinc/60/03/71/1125600371.db2.gz UWGGRIBOCPKKAJ-WCFLWFBJSA-N 0 1 276.405 3.580 20 0 CHADMN CCC1(O)CCN(Cc2cc(Cl)ccc2SC)CC1 ZINC001238675996 1131231032 /nfs/dbraw/zinc/23/10/32/1131231032.db2.gz HECFFOINUPUWOR-UHFFFAOYSA-N 0 1 299.867 3.799 20 0 CHADMN Clc1cc(CN2CCS[C@H]3CCCC[C@H]32)ccn1 ZINC000246129901 1125604647 /nfs/dbraw/zinc/60/46/47/1125604647.db2.gz MGDUFTCLWLFALO-OLZOCXBDSA-N 0 1 282.840 3.595 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H]1CCc2c1nccc2Cl ZINC000925291040 1125606120 /nfs/dbraw/zinc/60/61/20/1125606120.db2.gz ARTLLPVCTIJTOD-ABAIWWIYSA-N 0 1 287.794 3.777 20 0 CHADMN COc1ncc(C[N@@H+](C)Cc2ccccc2C)cc1Cl ZINC000533555105 1125615177 /nfs/dbraw/zinc/61/51/77/1125615177.db2.gz YUFUIIZEOHDIIC-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN COc1ncc(CN(C)Cc2ccccc2C)cc1Cl ZINC000533555105 1125615182 /nfs/dbraw/zinc/61/51/82/1125615182.db2.gz YUFUIIZEOHDIIC-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN CC(C)(O)[C@@H]1CCCN1Cc1cc(Cl)ccc1Cl ZINC000533538803 1125615222 /nfs/dbraw/zinc/61/52/22/1125615222.db2.gz NZRQNAPWLLDQQG-ZDUSSCGKSA-N 0 1 288.218 3.729 20 0 CHADMN CN(C[C@@H]1CC1(C)C)c1ccncc1C(F)(F)F ZINC000864088969 1125622721 /nfs/dbraw/zinc/62/27/21/1125622721.db2.gz KMTRNOZELFKKOG-VIFPVBQESA-N 0 1 258.287 3.583 20 0 CHADMN CC[C@@H](NCc1ccc2c[nH]nc2c1)c1nc(C)cs1 ZINC000105502616 1125623698 /nfs/dbraw/zinc/62/36/98/1125623698.db2.gz IUEGCAIDPAYZCM-CYBMUJFWSA-N 0 1 286.404 3.569 20 0 CHADMN C[C@@H]1CCCN(Cc2nccn2Cc2ccccc2)CC1 ZINC000068828983 1125627175 /nfs/dbraw/zinc/62/71/75/1125627175.db2.gz LNKSBIBEEPGTQF-MRXNPFEDSA-N 0 1 283.419 3.553 20 0 CHADMN Cc1n[nH]c(CN[C@H](C)c2oc3ccccc3c2C)c1C ZINC000885927317 1125627844 /nfs/dbraw/zinc/62/78/44/1125627844.db2.gz PQCCLQSNLHTSDS-CYBMUJFWSA-N 0 1 283.375 3.932 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H](C)c1ccnn1C1CCC1 ZINC000925293633 1125629084 /nfs/dbraw/zinc/62/90/84/1125629084.db2.gz MQHPCWXHOOPNQY-UONOGXRCSA-N 0 1 284.407 3.723 20 0 CHADMN Cc1coc(CN[C@H]2CCCOc3ccccc32)c1 ZINC000885958246 1125630637 /nfs/dbraw/zinc/63/06/37/1125630637.db2.gz FUIYZXWJIKVZAI-HNNXBMFYSA-N 0 1 257.333 3.592 20 0 CHADMN Cc1[nH]nc(CNc2ccccc2OC(F)(F)F)c1C ZINC000886027726 1125638832 /nfs/dbraw/zinc/63/88/32/1125638832.db2.gz HYZZAWIXFOAJBL-UHFFFAOYSA-N 0 1 285.269 3.537 20 0 CHADMN CSCc1ccc(CNCc2cc(C)co2)cc1 ZINC000886114206 1125651086 /nfs/dbraw/zinc/65/10/86/1125651086.db2.gz JMVVDQBYQWIMBB-UHFFFAOYSA-N 0 1 261.390 3.741 20 0 CHADMN Cc1[nH]nc(CNc2ccc(Cl)c(Cl)c2)c1C ZINC000886098457 1125646355 /nfs/dbraw/zinc/64/63/55/1125646355.db2.gz MWYINTOLTXLVJO-UHFFFAOYSA-N 0 1 270.163 3.945 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1C[C@@H](C)CC[C@H]1C ZINC000246813830 1125649294 /nfs/dbraw/zinc/64/92/94/1125649294.db2.gz ABGMHIXSJHNSKU-DZGCQCFKSA-N 0 1 288.435 3.616 20 0 CHADMN COc1cc(C)cc(CN[C@@H](C)c2ccsc2)c1OC ZINC000886107202 1125650395 /nfs/dbraw/zinc/65/03/95/1125650395.db2.gz NDDCGSFCFSXDCT-LBPRGKRZSA-N 0 1 291.416 3.925 20 0 CHADMN COc1ccc(C2CCN(Cc3ccns3)CC2)cc1 ZINC000638066367 1129241290 /nfs/dbraw/zinc/24/12/90/1129241290.db2.gz HJYRYJYDNLXRHU-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN Cc1coc(CNCc2ccc(C(C)(F)F)cc2)c1 ZINC000886125604 1125652457 /nfs/dbraw/zinc/65/24/57/1125652457.db2.gz XBKFKSGUSPLBSU-UHFFFAOYSA-N 0 1 265.303 3.990 20 0 CHADMN CCc1nc([C@@H](C)NC[C@H]2CCC3(CCC3)CO2)cs1 ZINC000886129732 1125653781 /nfs/dbraw/zinc/65/37/81/1125653781.db2.gz MHLYXHIDBGJZHL-CHWSQXEVSA-N 0 1 294.464 3.705 20 0 CHADMN CCc1nc([C@@H](C)NC[C@@H]2CCC3(CCC3)CO2)cs1 ZINC000886129733 1125653966 /nfs/dbraw/zinc/65/39/66/1125653966.db2.gz MHLYXHIDBGJZHL-OLZOCXBDSA-N 0 1 294.464 3.705 20 0 CHADMN CCc1nc([C@H](C)NCCSC(F)(F)F)cs1 ZINC000886129717 1125654233 /nfs/dbraw/zinc/65/42/33/1125654233.db2.gz MAUUUVRWRJEUFG-ZETCQYMHSA-N 0 1 284.372 3.609 20 0 CHADMN Cc1noc(C)c1CN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000247475422 1125656062 /nfs/dbraw/zinc/65/60/62/1125656062.db2.gz JPZNPUDRCSWOEY-ABAIWWIYSA-N 0 1 274.364 3.858 20 0 CHADMN Cc1[nH]nc(CNc2ccc(C3CC3)cc2F)c1C ZINC000886181139 1125660082 /nfs/dbraw/zinc/66/00/82/1125660082.db2.gz FSPMLQCORVQHRA-UHFFFAOYSA-N 0 1 259.328 3.655 20 0 CHADMN Cc1ccccc1[C@@H](C)N1CCO[C@@H](c2ccco2)C1 ZINC000248147809 1125663120 /nfs/dbraw/zinc/66/31/20/1125663120.db2.gz QKIRWZKOZYBQMN-RHSMWYFYSA-N 0 1 271.360 3.723 20 0 CHADMN Fc1ccc(/C=C/CNCc2cc(C3CC3)no2)c(F)c1 ZINC000886270911 1125664242 /nfs/dbraw/zinc/66/42/42/1125664242.db2.gz QHNMAOUCBFDJON-OWOJBTEDSA-N 0 1 290.313 3.633 20 0 CHADMN CCS[C@H]1CC[C@H](N(C)Cc2cn3ccsc3n2)C1 ZINC000076069180 1125665783 /nfs/dbraw/zinc/66/57/83/1125665783.db2.gz UKCPJASUJJZFAN-STQMWFEESA-N 0 1 295.477 3.502 20 0 CHADMN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNCc1ncc(C(F)(F)F)s1 ZINC000886281201 1125667332 /nfs/dbraw/zinc/66/73/32/1125667332.db2.gz UPJJKNVPZFXTFX-IMSYWVGJSA-N 0 1 290.354 3.544 20 0 CHADMN CC(C)c1cnc(CNC[C@@H]2CCC3(CCC3)CO2)s1 ZINC000886317953 1125668535 /nfs/dbraw/zinc/66/85/35/1125668535.db2.gz FVHQJHBEZCUYDK-ZDUSSCGKSA-N 0 1 294.464 3.705 20 0 CHADMN CO[C@H](C)c1nc(CN2C[C@H](C)[C@@H]3CCCC[C@@H]32)cs1 ZINC000248424620 1125669226 /nfs/dbraw/zinc/66/92/26/1125669226.db2.gz NPBRFJGFRPUABN-NEBZKDRISA-N 0 1 294.464 3.861 20 0 CHADMN Cc1ccc([C@@H]2CCCN2[C@@H](C)c2cnc(C)nc2C)o1 ZINC000638086644 1129242181 /nfs/dbraw/zinc/24/21/81/1129242181.db2.gz HVYLKGSDHMFWTF-BBRMVZONSA-N 0 1 285.391 3.893 20 0 CHADMN COc1cc(Nc2cccc(OC(F)F)c2)ncc1C ZINC001212060860 1125678910 /nfs/dbraw/zinc/67/89/10/1125678910.db2.gz LGZXFNJKMNPBBK-UHFFFAOYSA-N 0 1 280.274 3.744 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCCCCC2)[C@@H]2CCC[C@H]21 ZINC000629373541 1125679330 /nfs/dbraw/zinc/67/93/30/1125679330.db2.gz JHQXSORDHPEHEG-ARFHVFGLSA-N 0 1 279.424 3.532 20 0 CHADMN c1ccc2c(c1)OCCC[C@H]2N[C@H]1CCc2cccnc21 ZINC000886520362 1125683073 /nfs/dbraw/zinc/68/30/73/1125683073.db2.gz CCGBAXFKXWFLGY-CVEARBPZSA-N 0 1 280.371 3.572 20 0 CHADMN c1ccc([C@H](N[C@@H]2CCc3cccnc32)[C@H]2CCCO2)cc1 ZINC000886517715 1125683197 /nfs/dbraw/zinc/68/31/97/1125683197.db2.gz OULJKEGNBDRYPT-LMMKCTJWSA-N 0 1 294.398 3.579 20 0 CHADMN CCO[C@H](C)c1noc(CN([C@H](C)[C@@H](C)CC)C2CC2)n1 ZINC000076727974 1125684081 /nfs/dbraw/zinc/68/40/81/1125684081.db2.gz IOYVGOSWTBSJTR-YNEHKIRRSA-N 0 1 295.427 3.566 20 0 CHADMN Cc1cnc(CN2CC[C@H](C)[C@H]2c2ccccc2)o1 ZINC000886541263 1125686634 /nfs/dbraw/zinc/68/66/34/1125686634.db2.gz SQOKCJMZHQOJRA-LRDDRELGSA-N 0 1 256.349 3.566 20 0 CHADMN C[C@H]1CCN(Cc2nccs2)[C@H]1c1ccccc1 ZINC000886542687 1125687080 /nfs/dbraw/zinc/68/70/80/1125687080.db2.gz DOLQQDWECGEKRA-SWLSCSKDSA-N 0 1 258.390 3.726 20 0 CHADMN CC(C)Oc1cccc([C@H](C)N[C@H](C)c2cn[nH]c2)c1 ZINC000284279437 1125689858 /nfs/dbraw/zinc/68/98/58/1125689858.db2.gz XHQZELRQFODDQS-QWHCGFSZSA-N 0 1 273.380 3.609 20 0 CHADMN CO[C@@H]1CCC[C@H](Nc2ccc(CN(C)C)c(F)c2)CC1 ZINC000886585676 1125694105 /nfs/dbraw/zinc/69/41/05/1125694105.db2.gz DBHUOVBPYYSQHJ-GOEBONIOSA-N 0 1 294.414 3.647 20 0 CHADMN CC(C)c1cccc(CN[C@H]2CCc3cccnc32)c1 ZINC000886594645 1125695020 /nfs/dbraw/zinc/69/50/20/1125695020.db2.gz QVJFSSYOOOETGH-KRWDZBQOSA-N 0 1 266.388 3.982 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H]2CCc3cccnc32)c2ccccc2O1 ZINC000886617691 1125698591 /nfs/dbraw/zinc/69/85/91/1125698591.db2.gz VYUOOGHDRWDRSU-UHOFOFEASA-N 0 1 280.371 3.571 20 0 CHADMN CCc1ccc(CNCc2cnc3ccccc3n2)s1 ZINC000226192833 1125698723 /nfs/dbraw/zinc/69/87/23/1125698723.db2.gz OAFRWYQVCBZPEU-UHFFFAOYSA-N 0 1 283.400 3.544 20 0 CHADMN CC[C@H](C[C@@H](C)CC)NCc1nccc(C(F)F)n1 ZINC000287195098 1125699907 /nfs/dbraw/zinc/69/99/07/1125699907.db2.gz WBBXWIREDLEZAI-WDEREUQCSA-N 0 1 271.355 3.719 20 0 CHADMN Clc1ccc(CN2CCC[C@H](c3ncccn3)C2)cc1 ZINC000886676191 1125705574 /nfs/dbraw/zinc/70/55/74/1125705574.db2.gz DDQGBBIPHMCECF-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1ccsc1[C@@H](C)NCc1cc(C2CC2)no1 ZINC000886682216 1125707741 /nfs/dbraw/zinc/70/77/41/1125707741.db2.gz BPOGJOJMNLRKHG-SNVBAGLBSA-N 0 1 262.378 3.773 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCCC[C@@H](C)C1 ZINC000253585638 1125719076 /nfs/dbraw/zinc/71/90/76/1125719076.db2.gz AJLQMHIOYYNXCR-CHWSQXEVSA-N 0 1 285.391 3.518 20 0 CHADMN CN(C/C=C\c1ccccc1)Cc1ccc([S@@](C)=O)cc1 ZINC000254944446 1125719571 /nfs/dbraw/zinc/71/95/71/1125719571.db2.gz NPACZSAYGKBFGD-DFOOEPSASA-N 0 1 299.439 3.569 20 0 CHADMN Fc1ccccc1[C@H]1CCN(Cc2cnccc2Cl)C1 ZINC001137237015 1125728360 /nfs/dbraw/zinc/72/83/60/1125728360.db2.gz VBONTCLRYBYPLC-LBPRGKRZSA-N 0 1 290.769 3.864 20 0 CHADMN CCc1ccc(CN2CCc3cc(C)ccc3C2)cn1 ZINC000348399981 1125730609 /nfs/dbraw/zinc/73/06/09/1125730609.db2.gz AUTQVFVVKUUMSX-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN CCc1ccc(C(C)(C)c2nc(C3(N)CCCC3)no2)cc1 ZINC000261648872 1125735987 /nfs/dbraw/zinc/73/59/87/1125735987.db2.gz DVRWZLCVWBTPQN-UHFFFAOYSA-N 0 1 299.418 3.686 20 0 CHADMN Cc1ccccc1[C@@H]1CN(Cc2cccc(N)c2)[C@@H](C)CO1 ZINC000261674405 1125737652 /nfs/dbraw/zinc/73/76/52/1125737652.db2.gz KTHGBMKEBXLCLI-KXBFYZLASA-N 0 1 296.414 3.539 20 0 CHADMN CN(Cc1ccco1)Cc1cccc(-c2ccccn2)c1 ZINC000162166736 1125740624 /nfs/dbraw/zinc/74/06/24/1125740624.db2.gz FYWJXEQYSXHFCG-UHFFFAOYSA-N 0 1 278.355 3.974 20 0 CHADMN C[C@H](N[C@H]1CC(C)(C)c2ccccc21)c1cnccn1 ZINC000090576478 1125744127 /nfs/dbraw/zinc/74/41/27/1125744127.db2.gz WXIGJGDDNYYEIK-WFASDCNBSA-N 0 1 267.376 3.550 20 0 CHADMN C[C@H]1OCC[C@H]1N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000090969087 1125746495 /nfs/dbraw/zinc/74/64/95/1125746495.db2.gz XUBFEQJEBJBHBK-WQAKAFBOSA-N 0 1 291.288 3.586 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cccc(N(C)C)n2)s1 ZINC000090852119 1125746731 /nfs/dbraw/zinc/74/67/31/1125746731.db2.gz AYWZZIILVVSGDV-GFCCVEGCSA-N 0 1 289.448 3.622 20 0 CHADMN COc1ccccc1[C@@H](N[C@@H](C)C1CCC1)c1ccccn1 ZINC000090913524 1125747279 /nfs/dbraw/zinc/74/72/79/1125747279.db2.gz MHRRBAZEYLQPFY-IFXJQAMLSA-N 0 1 296.414 3.958 20 0 CHADMN C[C@H](NCc1cccnc1OCC(F)F)c1ccsc1 ZINC000090942660 1125747440 /nfs/dbraw/zinc/74/74/40/1125747440.db2.gz VIWTYYLKCGQDBI-JTQLQIEISA-N 0 1 298.358 3.638 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1ncc(-c2ccccc2)o1 ZINC000091098187 1125748401 /nfs/dbraw/zinc/74/84/01/1125748401.db2.gz VUKOULLBGGSSDM-AWEZNQCLSA-N 0 1 290.432 3.915 20 0 CHADMN Cc1ccccc1O[C@H](C)CN[C@H](C)c1nccs1 ZINC000091729857 1125752815 /nfs/dbraw/zinc/75/28/15/1125752815.db2.gz HRYGQMDNXUNVTR-CHWSQXEVSA-N 0 1 276.405 3.570 20 0 CHADMN C[C@@H](NC1(C2CC2)CCC1)c1ncc(C(C)(C)C)o1 ZINC000887146249 1125753138 /nfs/dbraw/zinc/75/31/38/1125753138.db2.gz NCMDETPUNAZJKO-LLVKDONJSA-N 0 1 262.397 3.955 20 0 CHADMN Fc1ccc([C@H]2CCN(Cc3cnccc3Cl)C2)cc1 ZINC001137238385 1125755146 /nfs/dbraw/zinc/75/51/46/1125755146.db2.gz VYDUHWSUCHBBSV-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN CN(Cc1cnccc1Cl)CC1CCCCC1 ZINC001137237956 1125756243 /nfs/dbraw/zinc/75/62/43/1125756243.db2.gz MJOICIJACRNXRG-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN Cc1cc(CN2CC3(CCCC3)OC[C@@H]2C)cs1 ZINC001118566400 1131231659 /nfs/dbraw/zinc/23/16/59/1131231659.db2.gz KSWSMZQLOCGFKN-LBPRGKRZSA-N 0 1 265.422 3.590 20 0 CHADMN CCN(Cc1ccnn1C)[C@H](C)c1cc2ccccc2o1 ZINC000092470641 1125759464 /nfs/dbraw/zinc/75/94/64/1125759464.db2.gz VYDFCUVFHYAJBR-CYBMUJFWSA-N 0 1 283.375 3.749 20 0 CHADMN C[C@@H](c1ccco1)N(Cc1cccc(O)c1)C1CC1 ZINC000092484049 1125759855 /nfs/dbraw/zinc/75/98/55/1125759855.db2.gz JIVJQDCCDPOGCF-LBPRGKRZSA-N 0 1 257.333 3.711 20 0 CHADMN C[C@H](NCc1ccnc(OC2CCCC2)c1)c1cccnc1 ZINC000092738853 1125761414 /nfs/dbraw/zinc/76/14/14/1125761414.db2.gz QEFIWRSGJKEVKI-AWEZNQCLSA-N 0 1 297.402 3.649 20 0 CHADMN Cc1ccoc1CN(C)[C@H](C)c1sc(C)nc1C ZINC000093275540 1125766126 /nfs/dbraw/zinc/76/61/26/1125766126.db2.gz XRRNUXPARQRMPF-LLVKDONJSA-N 0 1 264.394 3.854 20 0 CHADMN Cc1nc2c(s1)[C@H](N(C)Cc1ncccc1C)CCC2 ZINC000093193360 1125767074 /nfs/dbraw/zinc/76/70/74/1125767074.db2.gz KMCDZPLICLLNJQ-OAHLLOKOSA-N 0 1 287.432 3.664 20 0 CHADMN C[C@H](NCCc1nc(C(C)(C)C)cs1)c1nccs1 ZINC000093405691 1125768789 /nfs/dbraw/zinc/76/87/89/1125768789.db2.gz ODCOZTQYGDVTMN-JTQLQIEISA-N 0 1 295.477 3.790 20 0 CHADMN c1cncc(-c2cccc(CN3CCOC4(CCC4)C3)c2)c1 ZINC000093640167 1125771349 /nfs/dbraw/zinc/77/13/49/1125771349.db2.gz OQKWZLPYCSBNNY-UHFFFAOYSA-N 0 1 294.398 3.504 20 0 CHADMN CCn1nc(C)c(CN(C)Cc2cc3ccccc3o2)c1C ZINC000093689167 1125772961 /nfs/dbraw/zinc/77/29/61/1125772961.db2.gz PUVMDCUGIVSLHH-UHFFFAOYSA-N 0 1 297.402 3.898 20 0 CHADMN CC(=O)Nc1ccccc1CN1C[C@H](C)[C@H]1c1ccccc1 ZINC000093867587 1125774215 /nfs/dbraw/zinc/77/42/15/1125774215.db2.gz AVXMHZIXYGDFEJ-LIRRHRJNSA-N 0 1 294.398 3.838 20 0 CHADMN CCc1ccc([C@H]2C[C@@H](C)CCN2Cc2cnc[nH]2)o1 ZINC000093871157 1125774685 /nfs/dbraw/zinc/77/46/85/1125774685.db2.gz KBIOZOSZTSRWKS-SWLSCSKDSA-N 0 1 273.380 3.538 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccc(CO)o2)o1 ZINC000093870754 1125774895 /nfs/dbraw/zinc/77/48/95/1125774895.db2.gz DVZSCNVMQHRFRS-LRDDRELGSA-N 0 1 289.375 3.647 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)C3(C)CCCC3)n[nH]2)cc1 ZINC000428661486 1125785560 /nfs/dbraw/zinc/78/55/60/1125785560.db2.gz UDFFACBBMBMHCG-UHFFFAOYSA-N 0 1 297.402 3.790 20 0 CHADMN C[C@H]1CN(Cc2csc(-c3ccccn3)n2)CC[C@@H]1C ZINC000122464169 1125787608 /nfs/dbraw/zinc/78/76/08/1125787608.db2.gz HIKUQNMCLDNNPK-STQMWFEESA-N 0 1 287.432 3.683 20 0 CHADMN CN(C(=O)c1ccc(O)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000622325562 1129248091 /nfs/dbraw/zinc/24/80/91/1129248091.db2.gz DMJASFNFFIUVCX-UHFFFAOYSA-N 0 1 297.688 3.600 20 0 CHADMN Cc1nc2ccc(-c3ccc4cncn4c3)cc2s1 ZINC001245898053 1131233624 /nfs/dbraw/zinc/23/36/24/1131233624.db2.gz MWYKHWJIIJVYES-UHFFFAOYSA-N 0 1 265.341 3.919 20 0 CHADMN COc1ncc(CN[C@@H](C)c2ccccc2SC)s1 ZINC000639137186 1129285989 /nfs/dbraw/zinc/28/59/89/1129285989.db2.gz UGYQLZFWFVMAPG-JTQLQIEISA-N 0 1 294.445 3.724 20 0 CHADMN COc1cc(CN2CC(CC3CC3)C2)ccc1SC ZINC000621740371 1129189584 /nfs/dbraw/zinc/18/95/84/1129189584.db2.gz MRQYXUHSVQTNMT-UHFFFAOYSA-N 0 1 277.433 3.649 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H]2C[C@H]2CC(C)(C)C)n1 ZINC000647134895 1129551965 /nfs/dbraw/zinc/55/19/65/1129551965.db2.gz NMJZCXOSVOPIQX-QJPTWQEYSA-N 0 1 265.401 3.655 20 0 CHADMN COc1cc(Cl)ccc1CN1CC[C@]2(CC2(F)F)C1 ZINC000649908520 1129686080 /nfs/dbraw/zinc/68/60/80/1129686080.db2.gz QAGQYSOPZCSZPS-ZDUSSCGKSA-N 0 1 287.737 3.580 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)CC(C)=C(C)C)c1 ZINC000635949256 1129194801 /nfs/dbraw/zinc/19/48/01/1129194801.db2.gz BMQCNAFUKWDQLV-UHFFFAOYSA-N 0 1 275.348 3.670 20 0 CHADMN CCOC(=O)[C@H](CC)N(CCCCC(F)(F)F)C1CC1 ZINC001169464059 1129729713 /nfs/dbraw/zinc/72/97/13/1129729713.db2.gz XXOYUAAWTTWTRG-LBPRGKRZSA-N 0 1 295.345 3.525 20 0 CHADMN C[C@@H](CCCc1cccnc1)N[C@H]1CCCC1(F)F ZINC000651345977 1129738221 /nfs/dbraw/zinc/73/82/21/1129738221.db2.gz VHHIZZFWKCDYFM-JSGCOSHPSA-N 0 1 268.351 3.570 20 0 CHADMN CN(CC(=O)Nc1ccccc1C(C)(F)F)CC(C)(C)C ZINC000635984396 1129195911 /nfs/dbraw/zinc/19/59/11/1129195911.db2.gz VQDZZJKHKOHODN-UHFFFAOYSA-N 0 1 298.377 3.715 20 0 CHADMN C[C@@H](c1ccco1)c1noc([C@@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000621795204 1129196219 /nfs/dbraw/zinc/19/62/19/1129196219.db2.gz DESPBEOTMLLNTF-QNWHQSFQSA-N 0 1 289.379 3.748 20 0 CHADMN CSC(C)(C)C[C@@H](C)NC1(c2cccc(C)c2)COC1 ZINC001258323737 1129197922 /nfs/dbraw/zinc/19/79/22/1129197922.db2.gz HPTFUSNUYKBRCM-CQSZACIVSA-N 0 1 293.476 3.730 20 0 CHADMN Cc1[nH]ncc1CN(C)C(=O)CC(C)(C)C1CCCCC1 ZINC000636069484 1129198107 /nfs/dbraw/zinc/19/81/07/1129198107.db2.gz QCTLXELMNKMXAN-UHFFFAOYSA-N 0 1 291.439 3.673 20 0 CHADMN C[C@H](CCC1CC1)NCc1nc(C(C)(C)C)co1 ZINC000724412079 1129852774 /nfs/dbraw/zinc/85/27/74/1129852774.db2.gz CDGKTZXBRPFWLM-LLVKDONJSA-N 0 1 250.386 3.640 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1coc(C2CC2)n1)C1CC1 ZINC000769338667 1129903735 /nfs/dbraw/zinc/90/37/35/1129903735.db2.gz NCQFVMVJEYJBAO-NWDGAFQWSA-N 0 1 262.397 3.951 20 0 CHADMN Cc1c(F)cccc1NC(=O)c1c(O)cccc1Cl ZINC000769931091 1129933306 /nfs/dbraw/zinc/93/33/06/1129933306.db2.gz BRRDTNVJXCGQDM-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN CCCC[C@@H](CC)CC[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000901698943 1129945402 /nfs/dbraw/zinc/94/54/02/1129945402.db2.gz KXYPLIHUGFERBE-GDBMZVCRSA-N 0 1 269.429 3.780 20 0 CHADMN CC(C)(C)c1nc(CSC2CCC(F)(F)CC2)n[nH]1 ZINC000901741353 1129948484 /nfs/dbraw/zinc/94/84/84/1129948484.db2.gz ROULIIBRYADJMX-UHFFFAOYSA-N 0 1 289.395 3.913 20 0 CHADMN CC(C)C[N@@H+](C[C@H]1CCC[C@@H](C)C1)CC(C)(C)C(=O)[O-] ZINC000901837986 1129958579 /nfs/dbraw/zinc/95/85/79/1129958579.db2.gz FPFNCFKEJPBQEU-CABCVRRESA-N 0 1 283.456 3.882 20 0 CHADMN CC(C)c1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c(Cl)n1 ZINC001238722177 1131236965 /nfs/dbraw/zinc/23/69/65/1131236965.db2.gz LPRROJLBKGUQRL-RWMBFGLXSA-N 0 1 282.790 3.648 20 0 CHADMN CC(C)c1ccc(CN2CCCC[C@](C)(O)C2)c(Cl)n1 ZINC001238721667 1131237056 /nfs/dbraw/zinc/23/70/56/1131237056.db2.gz IXHMJGADHFDPDG-INIZCTEOSA-N 0 1 296.842 3.595 20 0 CHADMN Clc1ncc(CNCc2ccccc2C2CC2)s1 ZINC000718145217 1129206717 /nfs/dbraw/zinc/20/67/17/1129206717.db2.gz MYXPEUDZFVFYMP-UHFFFAOYSA-N 0 1 278.808 3.964 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(Cl)cc(OC)c2OC)C1 ZINC001138746107 1129207870 /nfs/dbraw/zinc/20/78/70/1129207870.db2.gz OONPNKNORIQXHU-LBPRGKRZSA-N 0 1 297.826 3.979 20 0 CHADMN Cc1noc([C@@H]2CCC[N@@H+]2[C@@H](C)CCCC(C)C)n1 ZINC001170087724 1130200655 /nfs/dbraw/zinc/20/06/55/1130200655.db2.gz JQJPDHDUAXZAMR-JSGCOSHPSA-N 0 1 265.401 3.730 20 0 CHADMN Cc1noc([C@@H]2CCCN2[C@@H](C)CCCC(C)C)n1 ZINC001170087724 1130200659 /nfs/dbraw/zinc/20/06/59/1130200659.db2.gz JQJPDHDUAXZAMR-JSGCOSHPSA-N 0 1 265.401 3.730 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccsc1)c1ccncc1F ZINC000338021544 1126711231 /nfs/dbraw/zinc/71/12/31/1126711231.db2.gz QBKICIWGBMBLDK-VHSXEESVSA-N 0 1 250.342 3.694 20 0 CHADMN Cc1ccc(NC(=O)[C@H]2CC[C@@H]3CCCCN23)c(Cl)c1 ZINC000899919755 1126712236 /nfs/dbraw/zinc/71/22/36/1126712236.db2.gz DTZXGGPKVMYWEZ-SWLSCSKDSA-N 0 1 292.810 3.604 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1cc2ccncc2s1 ZINC000667948495 1126715478 /nfs/dbraw/zinc/71/54/78/1126715478.db2.gz AWZYLOXPPHTTHR-GFCCVEGCSA-N 0 1 283.400 3.884 20 0 CHADMN CC(=O)Nc1nc(CN2CCC[C@@H]2CCC(C)C)cs1 ZINC000135317065 1126716791 /nfs/dbraw/zinc/71/67/91/1126716791.db2.gz CFQYBEPFVGADCO-CQSZACIVSA-N 0 1 295.452 3.502 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)N(C)CCC2CC2)n1 ZINC000135309971 1126717286 /nfs/dbraw/zinc/71/72/86/1126717286.db2.gz VESHAKOCNMFXFY-CYBMUJFWSA-N 0 1 285.391 3.838 20 0 CHADMN COc1cc2c(cc1F)CC[C@@H]2N[C@H](C)c1ccco1 ZINC000338023584 1126712576 /nfs/dbraw/zinc/71/25/76/1126712576.db2.gz SSPCDWFXFSBHKU-YGRLFVJLSA-N 0 1 275.323 3.765 20 0 CHADMN Cc1cccc2[nH]c(CN3CCC[C@H](OC(F)F)C3)cc21 ZINC000667962444 1126720085 /nfs/dbraw/zinc/72/00/85/1126720085.db2.gz PFTDKYKQEXPMSA-ZDUSSCGKSA-N 0 1 294.345 3.680 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H](OC(F)F)C2)c(C)c1 ZINC000667962769 1126720321 /nfs/dbraw/zinc/72/03/21/1126720321.db2.gz ZILATNZYGMPVJR-OAHLLOKOSA-N 0 1 299.361 3.597 20 0 CHADMN C[C@H]1c2ccccc2OCCN1C[C@H]1CC1(Cl)Cl ZINC000749060159 1130262219 /nfs/dbraw/zinc/26/22/19/1130262219.db2.gz IWMQYJKZJRQUBU-WDEREUQCSA-N 0 1 286.202 3.636 20 0 CHADMN COc1cccc(Cl)c1CN1CCC2(CCC2)C1 ZINC000338270495 1126729662 /nfs/dbraw/zinc/72/96/62/1126729662.db2.gz GTWBATAHJMEXMN-UHFFFAOYSA-N 0 1 265.784 3.725 20 0 CHADMN COc1c(O)cccc1CN(C)Cc1cc(C)cc(C)c1 ZINC000556045136 1126731821 /nfs/dbraw/zinc/73/18/21/1126731821.db2.gz XJKQHKUWHLWIEJ-UHFFFAOYSA-N 0 1 285.387 3.650 20 0 CHADMN COc1ccc(CN(Cc2ccc(C)c(C)c2)C2CC2)nc1 ZINC000338303396 1126732150 /nfs/dbraw/zinc/73/21/50/1126732150.db2.gz GKOVRCWOWATKDK-UHFFFAOYSA-N 0 1 296.414 3.872 20 0 CHADMN CC(C)c1nnc(CN2CCCC[C@H]2Cc2ccccc2)o1 ZINC000066155925 1126733676 /nfs/dbraw/zinc/73/36/76/1126733676.db2.gz WQUONCRREGMXOF-INIZCTEOSA-N 0 1 299.418 3.790 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@H](C(C)C)CC2)s1 ZINC000338309990 1126733743 /nfs/dbraw/zinc/73/37/43/1126733743.db2.gz WPNBEHLMBHCTLP-AAEUAGOBSA-N 0 1 267.442 3.666 20 0 CHADMN Cc1nnc([C@@H]2CCCCN2CC[C@@H]2CCC[C@H](C)C2)[nH]1 ZINC000338333873 1126734464 /nfs/dbraw/zinc/73/44/64/1126734464.db2.gz RLLFQVJJAUZCLU-BPUTZDHNSA-N 0 1 290.455 3.857 20 0 CHADMN Cc1nnc([C@@H]2CCCCN2CC[C@H]2CCC[C@@H](C)C2)[nH]1 ZINC000338333867 1126734501 /nfs/dbraw/zinc/73/45/01/1126734501.db2.gz RLLFQVJJAUZCLU-BMFZPTHFSA-N 0 1 290.455 3.857 20 0 CHADMN CC(C)c1ccc(CN2C[C@@H]3[C@H](C2)C3(C)C)c(Cl)n1 ZINC001238727566 1131238019 /nfs/dbraw/zinc/23/80/19/1131238019.db2.gz JWCHSPYNCKCLMG-BETUJISGSA-N 0 1 278.827 3.946 20 0 CHADMN COc1cccc(C2(NCc3ccc(F)cc3)CC2)c1 ZINC000150904321 1126747360 /nfs/dbraw/zinc/74/73/60/1126747360.db2.gz NRUOFDHLVQNNOV-UHFFFAOYSA-N 0 1 271.335 3.613 20 0 CHADMN Cc1noc([C@@H](C)N2CCC[C@H](Cc3ccc(C)cc3)C2)n1 ZINC000065254215 1126748472 /nfs/dbraw/zinc/74/84/72/1126748472.db2.gz KUOFUMWFLVCQOU-RHSMWYFYSA-N 0 1 299.418 3.702 20 0 CHADMN Cc1nc(C(C)C)sc1[C@@H](C)NCc1cccnc1 ZINC000151080633 1126750145 /nfs/dbraw/zinc/75/01/45/1126750145.db2.gz VJZMDSFEWVHCJO-LLVKDONJSA-N 0 1 275.421 3.821 20 0 CHADMN Cc1ccc2cc(C[N@H+]3CCC[C@@H](OCC4CC4)C3)[nH]c2c1 ZINC000668010604 1126752500 /nfs/dbraw/zinc/75/25/00/1126752500.db2.gz AXHRTYPPDWLJAG-GOSISDBHSA-N 0 1 298.430 3.867 20 0 CHADMN C[C@H](N[C@H]1CCCC12CC2)c1nc(Cc2ccccc2)no1 ZINC000668051513 1126756457 /nfs/dbraw/zinc/75/64/57/1126756457.db2.gz RLKAIVSCALIPBX-ZFWWWQNUSA-N 0 1 297.402 3.644 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc(C)cn2)c(C)c1 ZINC000668047480 1126756568 /nfs/dbraw/zinc/75/65/68/1126756568.db2.gz CHSOUDLBOWINID-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN Cc1ccc(CN(C)Cc2cc3ccncc3s2)nc1 ZINC000668047840 1126756971 /nfs/dbraw/zinc/75/69/71/1126756971.db2.gz NCBHVTXRKBDBDQ-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN CC[C@@H](NC(=O)c1cccc2nc[nH]c21)c1cccs1 ZINC000159090723 1126761045 /nfs/dbraw/zinc/76/10/45/1126761045.db2.gz KEVBZKJZJQEQSZ-LLVKDONJSA-N 0 1 285.372 3.506 20 0 CHADMN C[C@@H]1CC[C@H](N2CCc3c([nH]nc3C(F)(F)F)C2)C1 ZINC001170159574 1130400246 /nfs/dbraw/zinc/40/02/46/1130400246.db2.gz VSOQERKPGNUGHT-PTRXPTGYSA-N 0 1 273.302 3.532 20 0 CHADMN C[C@@H](NCc1ccc(F)c(F)c1)c1ccnn1C1CCC1 ZINC000924783956 1126770304 /nfs/dbraw/zinc/77/03/04/1126770304.db2.gz QASIUXJJRVEQQG-LLVKDONJSA-N 0 1 291.345 3.737 20 0 CHADMN CN(Cc1nc(Cc2ccccc2)no1)[C@@H]1CCC(C)(C)C1 ZINC000483104661 1126767803 /nfs/dbraw/zinc/76/78/03/1126767803.db2.gz ISXQORJYQMSKRY-OAHLLOKOSA-N 0 1 299.418 3.671 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1F ZINC000162544007 1126778717 /nfs/dbraw/zinc/77/87/17/1126778717.db2.gz BVTNTHYZFLAUIG-ZDUSSCGKSA-N 0 1 299.773 3.698 20 0 CHADMN CCc1coc(CN[C@H](C)Cc2ccccc2Cl)n1 ZINC001170247713 1130472710 /nfs/dbraw/zinc/47/27/10/1130472710.db2.gz LGSGAADCWWSVKI-LLVKDONJSA-N 0 1 278.783 3.611 20 0 CHADMN CN(CCC(F)(F)F)Cc1ccc(OCC2CC2)cc1 ZINC000483276232 1126777842 /nfs/dbraw/zinc/77/78/42/1126777842.db2.gz DTWHLXZOBMYKHK-UHFFFAOYSA-N 0 1 287.325 3.860 20 0 CHADMN Cc1noc([C@H](C)N[C@@H](C)CC(C)(C)c2ccccc2)n1 ZINC000483340564 1126783562 /nfs/dbraw/zinc/78/35/62/1126783562.db2.gz KXMPDDRMHOSMTA-STQMWFEESA-N 0 1 287.407 3.785 20 0 CHADMN Cc1ccncc1CNCc1ccc(F)cc1C(F)(F)F ZINC000162719523 1126787796 /nfs/dbraw/zinc/78/77/96/1126787796.db2.gz PLCBESWEPMQAEU-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN C[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccccc1Cl ZINC000177346893 1126800689 /nfs/dbraw/zinc/80/06/89/1126800689.db2.gz PRPZXDJSRCFKRJ-ADLMAVQZSA-N 0 1 287.856 3.538 20 0 CHADMN COc1ncc([C@H](C)N[C@H](C)c2cncs2)cc1Cl ZINC000903311040 1126801023 /nfs/dbraw/zinc/80/10/23/1126801023.db2.gz MHGGCLKUVFRVGC-DTWKUNHWSA-N 0 1 297.811 3.612 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)N[C@H](C)C3CC3)n2)cc1 ZINC000483654656 1126797173 /nfs/dbraw/zinc/79/71/73/1126797173.db2.gz OKNLROMLQXHIAB-NEPJUHHUSA-N 0 1 285.391 3.748 20 0 CHADMN CCC[C@@H](NCc1cc[nH]c1)c1ccc(F)cc1F ZINC000177179574 1126798651 /nfs/dbraw/zinc/79/86/51/1126798651.db2.gz SOKGOOLRHFRRPX-OAHLLOKOSA-N 0 1 264.319 3.924 20 0 CHADMN C[C@H](NCCOc1ccc(C(C)(C)C)cc1)c1cnccn1 ZINC000177815881 1126805730 /nfs/dbraw/zinc/80/57/30/1126805730.db2.gz BQNCZTXTSOTSQD-AWEZNQCLSA-N 0 1 299.418 3.504 20 0 CHADMN COc1ccc(Cl)c(CN2CCC(C)(C)C2)c1 ZINC000483933372 1126805708 /nfs/dbraw/zinc/80/57/08/1126805708.db2.gz XBSPAGFYMFPXID-UHFFFAOYSA-N 0 1 253.773 3.581 20 0 CHADMN c1c2ccccc2oc1[C@H](N[C@@H]1CCOC1)c1ccccc1 ZINC000177860022 1126806849 /nfs/dbraw/zinc/80/68/49/1126806849.db2.gz YQCPSKQHQMLFFX-VQIMIIECSA-N 0 1 293.366 3.901 20 0 CHADMN Cc1c([C@@H](C)N[C@H](C)c2cc(F)c(F)c(F)c2)cnn1C ZINC000177960046 1126807934 /nfs/dbraw/zinc/80/79/34/1126807934.db2.gz DAOAWUMZLKICME-RKDXNWHRSA-N 0 1 297.324 3.558 20 0 CHADMN Cc1c([C@H](C)N[C@H](C)c2cc(F)c(F)c(F)c2)cnn1C ZINC000177960057 1126807954 /nfs/dbraw/zinc/80/79/54/1126807954.db2.gz DAOAWUMZLKICME-BDAKNGLRSA-N 0 1 297.324 3.558 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@H]2CCc3cc(F)ccc32)cn1 ZINC000178089664 1126808389 /nfs/dbraw/zinc/80/83/89/1126808389.db2.gz ZAAXRAGMTGSXIW-SJCJKPOMSA-N 0 1 287.382 3.941 20 0 CHADMN CC(C)(C)C1=CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000484078197 1126809631 /nfs/dbraw/zinc/80/96/31/1126809631.db2.gz NCOUBJZQUAYNFS-KRWDZBQOSA-N 0 1 298.430 3.618 20 0 CHADMN COc1ccsc1CN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679584092 1130542979 /nfs/dbraw/zinc/54/29/79/1130542979.db2.gz KNOSLRIGXYRPLY-ZJUUUORDSA-N 0 1 293.354 3.920 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@H]1CCc3ccccc31)CCO2 ZINC000178464733 1126814608 /nfs/dbraw/zinc/81/46/08/1126814608.db2.gz KVZKGEAKQMKSPK-IRXDYDNUSA-N 0 1 283.346 3.926 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1ccc([C@H](C)O)cc1 ZINC000178548578 1126816384 /nfs/dbraw/zinc/81/63/84/1126816384.db2.gz IIGRCWBHLPBAPF-KGLIPLIRSA-N 0 1 285.387 3.599 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1ccc2ccccc2n1 ZINC000178723170 1126819118 /nfs/dbraw/zinc/81/91/18/1126819118.db2.gz PDIMBXIPAXFFET-JSGCOSHPSA-N 0 1 294.402 3.689 20 0 CHADMN CCOc1ccc(-c2nc(CN3CCCCC3)co2)cc1 ZINC000178789863 1126819950 /nfs/dbraw/zinc/81/99/50/1126819950.db2.gz DOJIMHZFWFITID-UHFFFAOYSA-N 0 1 286.375 3.726 20 0 CHADMN COC(=O)[C@H](C)N(Cc1cccc2ccccc21)C1CCC1 ZINC000484473139 1126820276 /nfs/dbraw/zinc/82/02/76/1126820276.db2.gz JBNXOKXUMVYEEU-AWEZNQCLSA-N 0 1 297.398 3.756 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccc1N(C)C)c1ccccn1 ZINC000179397685 1126827515 /nfs/dbraw/zinc/82/75/15/1126827515.db2.gz JWVUJILIXXQFJT-ZIAGYGMSSA-N 0 1 269.392 3.559 20 0 CHADMN C[C@H](c1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3N2)n1)C1CC1 ZINC000904098025 1126828521 /nfs/dbraw/zinc/82/85/21/1126828521.db2.gz MEMZORSEXOKGBZ-PYJNHQTQSA-N 0 1 275.396 3.566 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1cnccn1)CCC2 ZINC000179526087 1126829687 /nfs/dbraw/zinc/82/96/87/1126829687.db2.gz DQVRXDMJWLSPFZ-CJNGLKHVSA-N 0 1 267.376 3.513 20 0 CHADMN CCCN(Cc1c(Cl)nccc1N(C)C)[C@H](C)CC ZINC001234095735 1130608150 /nfs/dbraw/zinc/60/81/50/1130608150.db2.gz LQUDOYOWXRVJQM-GFCCVEGCSA-N 0 1 283.847 3.812 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1cccc2nccn21 ZINC000179713927 1126832760 /nfs/dbraw/zinc/83/27/60/1126832760.db2.gz XOZRDTLAIOLPML-GFCCVEGCSA-N 0 1 271.389 3.589 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cnn3ccccc23)cc1 ZINC000179937815 1126836827 /nfs/dbraw/zinc/83/68/27/1126836827.db2.gz QKJYEFFGFCHIIK-AWEZNQCLSA-N 0 1 295.386 3.536 20 0 CHADMN CCN(Cc1nnc(-c2ccc(Cl)cc2)o1)C(C)C ZINC000179845903 1126834752 /nfs/dbraw/zinc/83/47/52/1126834752.db2.gz BOTYVRAFIANIHT-UHFFFAOYSA-N 0 1 279.771 3.620 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cnn(C(C)C)c2)cc1 ZINC000179937718 1126836656 /nfs/dbraw/zinc/83/66/56/1126836656.db2.gz PMTFXCYTKCISEA-AWEZNQCLSA-N 0 1 287.407 3.666 20 0 CHADMN C[C@H](N[C@@H]1CCCOc2cc(F)ccc21)c1cccnc1 ZINC000179963782 1126837732 /nfs/dbraw/zinc/83/77/32/1126837732.db2.gz QJFMNGPVVKKWOJ-BLLLJJGKSA-N 0 1 286.350 3.785 20 0 CHADMN CCc1ccc(CN2CCC(C(F)(F)F)CC2)o1 ZINC000179963922 1126837786 /nfs/dbraw/zinc/83/77/86/1126837786.db2.gz SMDIYGGGGJSGOC-UHFFFAOYSA-N 0 1 261.287 3.616 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)c1ccncc1)C1(Cl)CC1 ZINC000924796509 1126838175 /nfs/dbraw/zinc/83/81/75/1126838175.db2.gz DEKTWTZLMRYMNT-CJNGLKHVSA-N 0 1 286.806 3.921 20 0 CHADMN CC[C@H](NCc1nc(C2CC2)no1)C(C)(C)c1ccccc1 ZINC000180009989 1126838172 /nfs/dbraw/zinc/83/81/72/1126838172.db2.gz XMQDHCZTBKQOPP-HNNXBMFYSA-N 0 1 299.418 3.793 20 0 CHADMN CC[C@H](NCc1ccc(CO)c(F)c1)c1ccccc1F ZINC000180219878 1126840818 /nfs/dbraw/zinc/84/08/18/1126840818.db2.gz YTFVHZVMJGQGOZ-KRWDZBQOSA-N 0 1 291.341 3.698 20 0 CHADMN CC(C)c1ccc(CN2CCC[C@@H]2C(C)(C)O)c(Cl)n1 ZINC001238730531 1131238203 /nfs/dbraw/zinc/23/82/03/1131238203.db2.gz GQMVBUBKVIUAGJ-CQSZACIVSA-N 0 1 296.842 3.594 20 0 CHADMN C[C@H](O)CN[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000181046673 1126851106 /nfs/dbraw/zinc/85/11/06/1126851106.db2.gz JLKUTJBSNFHDKF-ZBEGNZNMSA-N 0 1 293.769 3.539 20 0 CHADMN CO[C@@H](CN[C@@H](c1ccccc1)c1ccccn1)C(C)(C)C ZINC000180690822 1126847214 /nfs/dbraw/zinc/84/72/14/1126847214.db2.gz DHAGCZSKHYDIDB-ROUUACIJSA-N 0 1 298.430 3.822 20 0 CHADMN CC[N@@H+](Cn1nc(C(F)(F)F)cc1C)[C@@H](C)C(C)C ZINC000811737546 1130642283 /nfs/dbraw/zinc/64/22/83/1130642283.db2.gz NEECGEADHNZHIC-NSHDSACASA-N 0 1 277.334 3.534 20 0 CHADMN CO[C@H]1CCN(c2cc(C)nc3c(C)cc(Cl)cc23)C1 ZINC000484806894 1126848691 /nfs/dbraw/zinc/84/86/91/1126848691.db2.gz BMVMJVSWHFWEQP-ZDUSSCGKSA-N 0 1 290.794 3.730 20 0 CHADMN Cc1cc(C(F)(F)F)nn1CN1CC[C@@H](C(C)(C)C)C1 ZINC000811763848 1130644331 /nfs/dbraw/zinc/64/43/31/1130644331.db2.gz KEIUDDVRZRZQKL-LLVKDONJSA-N 0 1 289.345 3.536 20 0 CHADMN CC(C)CO[C@@H]1CCN([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181147193 1126852907 /nfs/dbraw/zinc/85/29/07/1126852907.db2.gz IIBWGXXGKXGWCH-UONOGXRCSA-N 0 1 288.391 3.636 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2ccc(Cl)c3occc32)n1 ZINC000904500268 1126854351 /nfs/dbraw/zinc/85/43/51/1126854351.db2.gz KAUYWWNIOBFGBN-LLVKDONJSA-N 0 1 291.738 3.792 20 0 CHADMN CCc1oc2ccccc2c1C[N@@H+](C)CCCCC(=O)[O-] ZINC000181541297 1126857806 /nfs/dbraw/zinc/85/78/06/1126857806.db2.gz MMTRLOMUGPIWFO-UHFFFAOYSA-N 0 1 289.375 3.682 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2CCCCC(=O)[O-])c1C ZINC000181568224 1126858094 /nfs/dbraw/zinc/85/80/94/1126858094.db2.gz XDSHQEHPHZZMOV-INIZCTEOSA-N 0 1 275.392 3.695 20 0 CHADMN CC(C)c1noc(CN[C@H](C)C(C)(C)c2ccccc2)n1 ZINC000181776962 1126860982 /nfs/dbraw/zinc/86/09/82/1126860982.db2.gz UJHNSFDOUZYQRI-CYBMUJFWSA-N 0 1 287.407 3.649 20 0 CHADMN CC(C)n1cc([C@@H](C)NC2(c3cccc(F)c3)CC2)cn1 ZINC000182220081 1126868255 /nfs/dbraw/zinc/86/82/55/1126868255.db2.gz MARLLTRUEJTMMH-CYBMUJFWSA-N 0 1 287.382 3.943 20 0 CHADMN Fc1ccc(-c2noc(-c3cc4cccnc4[nH]3)n2)c(F)c1 ZINC000904802812 1126876507 /nfs/dbraw/zinc/87/65/07/1126876507.db2.gz MPZQNIHADBYNBX-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN CC[C@@H](O)c1ccccc1-c1cc(C(F)(F)F)n[nH]1 ZINC000904795854 1126875665 /nfs/dbraw/zinc/87/56/65/1126875665.db2.gz ZMHKBNUTNSNTNI-LLVKDONJSA-N 0 1 270.254 3.539 20 0 CHADMN C[C@@H](O)c1ccc(CN[C@H](C)c2cccc(F)c2F)cc1 ZINC000183233089 1126883427 /nfs/dbraw/zinc/88/34/27/1126883427.db2.gz ZJAAWOILSPSYCW-VXGBXAGGSA-N 0 1 291.341 3.869 20 0 CHADMN C[C@@H](NCc1ccc([C@H](C)O)cc1)c1cccc(F)c1F ZINC000183233069 1126883775 /nfs/dbraw/zinc/88/37/75/1126883775.db2.gz ZJAAWOILSPSYCW-NEPJUHHUSA-N 0 1 291.341 3.869 20 0 CHADMN CCC[C@@H](C)NC(=O)[C@H](C)N(CC)Cc1ccccc1C ZINC000485123790 1126888434 /nfs/dbraw/zinc/88/84/34/1126888434.db2.gz RVFSXENOTHDVCL-CVEARBPZSA-N 0 1 290.451 3.510 20 0 CHADMN CN(CCc1ccncc1)Cc1cc(Cl)ccc1F ZINC000183756252 1126891873 /nfs/dbraw/zinc/89/18/73/1126891873.db2.gz YKVJMHXLYZRZTE-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN Cc1oc2ccccc2c1CNCc1cnn(C(C)(C)C)c1 ZINC000183921030 1126893547 /nfs/dbraw/zinc/89/35/47/1126893547.db2.gz VPZRLZSBITYAAJ-UHFFFAOYSA-N 0 1 297.402 3.983 20 0 CHADMN CN(Cc1nnc(-c2ccccc2)s1)C1CCCC1 ZINC000184179936 1126894571 /nfs/dbraw/zinc/89/45/71/1126894571.db2.gz CANDEBJYBTXCQR-UHFFFAOYSA-N 0 1 273.405 3.580 20 0 CHADMN CCCC[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000485205657 1126896560 /nfs/dbraw/zinc/89/65/60/1126896560.db2.gz REJUVXGTKMJLMJ-AWEZNQCLSA-N 0 1 299.418 3.684 20 0 CHADMN C[N@@H+](CC[C@@H]1CCCC1(F)F)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905372779 1126899525 /nfs/dbraw/zinc/89/95/25/1126899525.db2.gz JWYMDMHGDJVWHC-UONOGXRCSA-N 0 1 297.345 3.570 20 0 CHADMN CC(C)(NCc1cc(O)cc(F)c1)c1cccc(F)c1 ZINC000185545996 1126900173 /nfs/dbraw/zinc/90/01/73/1126900173.db2.gz QLMPQYLYPXOXBP-UHFFFAOYSA-N 0 1 277.314 3.695 20 0 CHADMN CCC[C@H]1CCCCN1Cc1cc(OCC)ncc1F ZINC001238727568 1131238574 /nfs/dbraw/zinc/23/85/74/1131238574.db2.gz KVRZCDYOEBWZSR-AWEZNQCLSA-N 0 1 280.387 3.774 20 0 CHADMN CCc1ccc(C)nc1N[C@@H](C)CC1CCOCC1 ZINC000668479539 1126913025 /nfs/dbraw/zinc/91/30/25/1126913025.db2.gz ZLINLVKWBIQVHR-ZDUSSCGKSA-N 0 1 262.397 3.570 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1ccc(C(C)(C)C)cc1 ZINC000187894215 1126916778 /nfs/dbraw/zinc/91/67/78/1126916778.db2.gz ZPTQJWIRKBJIBF-AWEZNQCLSA-N 0 1 283.419 3.933 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H]1CCc2c1cccc2Cl ZINC000187885742 1126917090 /nfs/dbraw/zinc/91/70/90/1126917090.db2.gz WSKWBZYVRQXZCR-ABAIWWIYSA-N 0 1 287.794 3.777 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H]1c2ccccc2CC[C@@H]1C ZINC000188285628 1126921901 /nfs/dbraw/zinc/92/19/01/1126921901.db2.gz IOCLDFXJKDVAOY-DXCKQFNASA-N 0 1 281.403 3.759 20 0 CHADMN Cc1cccc([C@@H](O)CN2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000905957209 1126923497 /nfs/dbraw/zinc/92/34/97/1126923497.db2.gz MBWCEBJXRMEEPI-ROUUACIJSA-N 0 1 296.414 3.507 20 0 CHADMN Cc1cccc([C@H](O)CN2CC[C@H]2c2ccc(F)cc2)c1 ZINC000905963270 1126924534 /nfs/dbraw/zinc/92/45/34/1126924534.db2.gz RJPRIPBTMKFMOF-ZWKOTPCHSA-N 0 1 285.362 3.615 20 0 CHADMN CC=C(CC)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000188681298 1126925679 /nfs/dbraw/zinc/92/56/79/1126925679.db2.gz MMOMUYSZVYSEMB-MTDDYQMPSA-N 0 1 299.374 3.709 20 0 CHADMN Cc1ccnc(NCc2ccc(O)cc2)c1C1CC1 ZINC000668513896 1126925709 /nfs/dbraw/zinc/92/57/09/1126925709.db2.gz ZEEMAGFEKZQCKA-UHFFFAOYSA-N 0 1 254.333 3.585 20 0 CHADMN CSCc1cccc(CN[C@@H](C)c2ccccn2)c1 ZINC000188715555 1126925732 /nfs/dbraw/zinc/92/57/32/1126925732.db2.gz QPDPNRIIBFHTTR-ZDUSSCGKSA-N 0 1 272.417 3.795 20 0 CHADMN Cc1cncc(CN(Cc2cccc(F)c2)C2CC2)c1 ZINC000189795214 1126935452 /nfs/dbraw/zinc/93/54/52/1126935452.db2.gz VKGMQQMKPBQXRG-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN CC(C)(C)OC(=O)n1cccc1CN1CCC(C)(C)C1 ZINC001235630495 1130760747 /nfs/dbraw/zinc/76/07/47/1130760747.db2.gz KHGKUGPWCLPEON-UHFFFAOYSA-N 0 1 278.396 3.503 20 0 CHADMN CCc1ccc([C@H](NCc2cn(C3CC3)nn2)C(C)C)cc1 ZINC000906276386 1126942889 /nfs/dbraw/zinc/94/28/89/1126942889.db2.gz LMSHGLKIBIYCSX-GOSISDBHSA-N 0 1 298.434 3.662 20 0 CHADMN Cc1c([C@H](C)NCc2ccsc2)cnn1C(C)(C)C ZINC000191173691 1126949251 /nfs/dbraw/zinc/94/92/51/1126949251.db2.gz CBBUJAHZRHYSOA-NSHDSACASA-N 0 1 277.437 3.859 20 0 CHADMN Cc1cc(C)c2c(c1)CN(Cc1cnc3ccccn13)CC2 ZINC000485719261 1126946251 /nfs/dbraw/zinc/94/62/51/1126946251.db2.gz OAXGYOLZZKWKDM-UHFFFAOYSA-N 0 1 291.398 3.509 20 0 CHADMN COc1ccc(CN[C@@H](C)c2csc(Cl)c2)cc1O ZINC000191252921 1126950064 /nfs/dbraw/zinc/95/00/64/1126950064.db2.gz MUINMXXMFIMWDK-VIFPVBQESA-N 0 1 297.807 3.967 20 0 CHADMN Cc1cnc(C(C)(C)N[C@H]2C[C@@H]2c2cccc(F)c2)s1 ZINC000906586057 1126959662 /nfs/dbraw/zinc/95/96/62/1126959662.db2.gz CKWUDKWPJQUIIE-KGLIPLIRSA-N 0 1 290.407 3.971 20 0 CHADMN CCC(CC)(CNCc1cocn1)c1ccccc1 ZINC000192320314 1126960302 /nfs/dbraw/zinc/96/03/02/1126960302.db2.gz GONLNXPTGCNIQL-UHFFFAOYSA-N 0 1 258.365 3.522 20 0 CHADMN CC1(C)CC[C@@H](CNCc2cocn2)c2ccccc21 ZINC000192340549 1126961114 /nfs/dbraw/zinc/96/11/14/1126961114.db2.gz ODQWNVBIPUFAIC-ZDUSSCGKSA-N 0 1 270.376 3.619 20 0 CHADMN CC(C)c1nnc(-c2ccccc2NC(=O)C[C@H]2C[C@H]2C)[nH]1 ZINC000485886819 1126961202 /nfs/dbraw/zinc/96/12/02/1126961202.db2.gz DNLNQZKMJJWGKM-VXGBXAGGSA-N 0 1 298.390 3.580 20 0 CHADMN CC(C)(NCCSCc1ccccc1)c1nccs1 ZINC000192674925 1126963006 /nfs/dbraw/zinc/96/30/06/1126963006.db2.gz PEISVOWUEVTODP-UHFFFAOYSA-N 0 1 292.473 3.901 20 0 CHADMN CCc1noc(CC)c1CN[C@H]1CCCNc2ccccc21 ZINC000192945374 1126964611 /nfs/dbraw/zinc/96/46/11/1126964611.db2.gz WIDKKWXUPMVYMW-KRWDZBQOSA-N 0 1 299.418 3.836 20 0 CHADMN COCc1ccc(CNCc2sccc2Cl)cc1 ZINC000192994782 1126965784 /nfs/dbraw/zinc/96/57/84/1126965784.db2.gz OKVXPWSLZCJZJO-UHFFFAOYSA-N 0 1 281.808 3.838 20 0 CHADMN C[C@@H](N[C@@H]1CCSc2ccc(F)cc21)c1ccnnc1 ZINC000924810206 1126968424 /nfs/dbraw/zinc/96/84/24/1126968424.db2.gz OQMBUUINJAFHQK-QMTHXVAHSA-N 0 1 289.379 3.503 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000193580705 1126969326 /nfs/dbraw/zinc/96/93/26/1126969326.db2.gz PKNOQWACNVDFLZ-UHFFFAOYSA-N 0 1 299.374 3.574 20 0 CHADMN CC1(C)CN(Cc2cnc(-c3ccco3)s2)CCS1 ZINC000194404945 1126975402 /nfs/dbraw/zinc/97/54/02/1126975402.db2.gz CVGPDZLHSCBSLQ-UHFFFAOYSA-N 0 1 294.445 3.731 20 0 CHADMN CC(C)CC(C)(C)CN[C@H](c1ncc[nH]1)c1cccnc1 ZINC000195075624 1126978737 /nfs/dbraw/zinc/97/87/37/1126978737.db2.gz QTNOANNIGSWMHC-HNNXBMFYSA-N 0 1 286.423 3.556 20 0 CHADMN CC(C)(C)c1cc(C(=O)Nc2cccc(Cl)c2O)no1 ZINC000266445392 1126982412 /nfs/dbraw/zinc/98/24/12/1126982412.db2.gz MRUDMIPDYPOGDW-UHFFFAOYSA-N 0 1 294.738 3.583 20 0 CHADMN CN(Cc1coc(-c2ccc(Cl)cc2)n1)C1CCC1 ZINC000266606868 1126986103 /nfs/dbraw/zinc/98/61/03/1126986103.db2.gz UBVWJXSIQQBLHC-UHFFFAOYSA-N 0 1 276.767 3.979 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1cccnc1Cl ZINC000266638699 1126986168 /nfs/dbraw/zinc/98/61/68/1126986168.db2.gz SMEAHUMHVJTUKK-NSHDSACASA-N 0 1 272.845 3.699 20 0 CHADMN Clc1ccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)o1 ZINC000668628629 1126986247 /nfs/dbraw/zinc/98/62/47/1126986247.db2.gz YURREYLLRNUPJS-OCCSQVGLSA-N 0 1 283.799 3.714 20 0 CHADMN Cc1ccc2nc(CNC(C)(C)c3ccccc3)cn2c1 ZINC000267023325 1126991665 /nfs/dbraw/zinc/99/16/65/1126991665.db2.gz KUDOIKXPXXAIFJ-UHFFFAOYSA-N 0 1 279.387 3.668 20 0 CHADMN CC(C)n1ccn(CN(C)C[C@@H]2CC=CCC2)c1=S ZINC000784015861 1126994320 /nfs/dbraw/zinc/99/43/20/1126994320.db2.gz RRSNZJAIBQPRDJ-CQSZACIVSA-N 0 1 279.453 3.846 20 0 CHADMN CSc1ccc(CN(C)[C@@H](C)c2ccccn2)cc1 ZINC000267410633 1126999396 /nfs/dbraw/zinc/99/93/96/1126999396.db2.gz RQWWLZWHBTUKDQ-ZDUSSCGKSA-N 0 1 272.417 3.997 20 0 CHADMN COc1ncccc1CN(C)[C@H](C)c1cc(C)ccc1C ZINC000486706362 1126996659 /nfs/dbraw/zinc/99/66/59/1126996659.db2.gz ZBQUWBSPSNMUBG-OAHLLOKOSA-N 0 1 284.403 3.900 20 0 CHADMN COc1ccccc1CNCc1cc2ccc(F)cc2[nH]1 ZINC000486709233 1126996909 /nfs/dbraw/zinc/99/69/09/1126996909.db2.gz QMLZTSKXWSXXQW-UHFFFAOYSA-N 0 1 284.334 3.605 20 0 CHADMN CCN1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000267312648 1126997419 /nfs/dbraw/zinc/99/74/19/1126997419.db2.gz DRUVPYRPCLJQEN-HNNXBMFYSA-N 0 1 257.381 3.774 20 0 CHADMN CN(Cc1nnc(C(C)(C)C)[nH]1)C1CCCCCCC1 ZINC000814620366 1130889284 /nfs/dbraw/zinc/88/92/84/1130889284.db2.gz OBDYOQQIJDXALO-UHFFFAOYSA-N 0 1 278.444 3.647 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C2(C3CC3)CCC2)c1 ZINC000908321194 1126998242 /nfs/dbraw/zinc/99/82/42/1126998242.db2.gz WMBJRJWSYRLCOI-UHFFFAOYSA-N 0 1 287.359 3.504 20 0 CHADMN C[C@@H](N[C@H](C)C1CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000267616022 1127003145 /nfs/dbraw/zinc/00/31/45/1127003145.db2.gz STCLASDXSKKDGZ-NXEZZACHSA-N 0 1 291.782 3.839 20 0 CHADMN CCC1(CC)CC[N@@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000268051466 1127010901 /nfs/dbraw/zinc/01/09/01/1127010901.db2.gz VJNCUKTVPHWXOU-UHFFFAOYSA-N 0 1 285.391 3.749 20 0 CHADMN CCC1(CC)CCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000268051466 1127010905 /nfs/dbraw/zinc/01/09/05/1127010905.db2.gz VJNCUKTVPHWXOU-UHFFFAOYSA-N 0 1 285.391 3.749 20 0 CHADMN c1coc(CN2CCC3(CCc4ccccc4O3)CC2)c1 ZINC000668715931 1127011737 /nfs/dbraw/zinc/01/17/37/1127011737.db2.gz UZDHUDGAQUGZQD-UHFFFAOYSA-N 0 1 283.371 3.639 20 0 CHADMN CSc1ccc(CN2CCC(c3ccon3)CC2)s1 ZINC000668718162 1127012398 /nfs/dbraw/zinc/01/23/98/1127012398.db2.gz KJZNDFSCDKYMER-UHFFFAOYSA-N 0 1 294.445 3.838 20 0 CHADMN CN(C)Cc1ccsc1C(=O)NCCC1CCCCC1 ZINC000268200060 1127013945 /nfs/dbraw/zinc/01/39/45/1127013945.db2.gz YRKJONUGBPRBMJ-UHFFFAOYSA-N 0 1 294.464 3.510 20 0 CHADMN CC1=CC[C@](C)(C(=O)Nc2cccc(-c3nnc[nH]3)c2)CC1 ZINC000668714868 1127014372 /nfs/dbraw/zinc/01/43/72/1127014372.db2.gz DNINEAGZSYVUCJ-KRWDZBQOSA-N 0 1 296.374 3.547 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cc(C)nc(C)n2)c(C)c1 ZINC000659851632 1127016774 /nfs/dbraw/zinc/01/67/74/1127016774.db2.gz JFJMBQBGXZESJX-HNNXBMFYSA-N 0 1 283.419 3.903 20 0 CHADMN Cn1cc(CNCc2ccc(C3CCCCC3)cc2)cn1 ZINC000268507210 1127018306 /nfs/dbraw/zinc/01/83/06/1127018306.db2.gz BHQHZXUHUKWEDH-UHFFFAOYSA-N 0 1 283.419 3.758 20 0 CHADMN COc1cccc(Cl)c1CNC/C=C/c1ccncc1 ZINC000487199057 1127024025 /nfs/dbraw/zinc/02/40/25/1127024025.db2.gz LROPWZWMDSTQLI-ONEGZZNKSA-N 0 1 288.778 3.547 20 0 CHADMN C[C@H](CC(=O)Nc1ncc(C(F)(F)F)[nH]1)c1ccccc1 ZINC000268751277 1127022531 /nfs/dbraw/zinc/02/25/31/1127022531.db2.gz VDWSDDMOAKOTIC-SECBINFHSA-N 0 1 297.280 3.561 20 0 CHADMN COc1ccsc1CNC(C)(C)c1ccccc1OC ZINC000268767258 1127023222 /nfs/dbraw/zinc/02/32/22/1127023222.db2.gz CGXUMXYPENXFTH-UHFFFAOYSA-N 0 1 291.416 3.790 20 0 CHADMN CC(C)COc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000268811037 1127025171 /nfs/dbraw/zinc/02/51/71/1127025171.db2.gz FAGOTZXCORKZKY-QGZVFWFLSA-N 0 1 299.418 3.612 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cn3ccc(C)cc3n2)s1 ZINC000268822314 1127025180 /nfs/dbraw/zinc/02/51/80/1127025180.db2.gz ADECMCRRWKOAIT-CYBMUJFWSA-N 0 1 285.416 3.863 20 0 CHADMN CC(C)c1cccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000268840421 1127026291 /nfs/dbraw/zinc/02/62/91/1127026291.db2.gz CMBCNOJVUHNLQU-OAHLLOKOSA-N 0 1 298.390 3.732 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2cnn(C)c2C)o1 ZINC000268867945 1127026698 /nfs/dbraw/zinc/02/66/98/1127026698.db2.gz AHVCCGZOZHDLLD-MLGOLLRUSA-N 0 1 287.407 3.603 20 0 CHADMN C[C@H](N[C@@H]1CC2(CCC2)Oc2ccccc21)c1cnn(C)c1 ZINC000268910911 1127027716 /nfs/dbraw/zinc/02/77/16/1127027716.db2.gz QYPRJSCGPDGNMB-XJKSGUPXSA-N 0 1 297.402 3.517 20 0 CHADMN C[C@@H](NCc1ncc(-c2ccccc2)cn1)[C@@H]1CC1(C)C ZINC000487557977 1127034819 /nfs/dbraw/zinc/03/48/19/1127034819.db2.gz XTHDUXBDSUDDCK-CJNGLKHVSA-N 0 1 281.403 3.668 20 0 CHADMN CCCCC[C@@H](C)CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268976786 1127030443 /nfs/dbraw/zinc/03/04/43/1127030443.db2.gz MPRNWNJSLKDJTM-OCCSQVGLSA-N 0 1 277.412 3.510 20 0 CHADMN C[C@@H](N[C@H](CCCO)c1ccccc1)c1ccccc1F ZINC000269000144 1127031999 /nfs/dbraw/zinc/03/19/99/1127031999.db2.gz OXCRCPXQIDWASR-RDTXWAMCSA-N 0 1 287.378 3.990 20 0 CHADMN CC(C)c1cc(C(=O)N2CCC[C@@H]2CC(C)(C)C)n[nH]1 ZINC000143920655 1127035589 /nfs/dbraw/zinc/03/55/89/1127035589.db2.gz ICHNMRCSSRQCEC-GFCCVEGCSA-N 0 1 277.412 3.574 20 0 CHADMN Cc1nc(C)c([C@@H](C)N(C)Cc2cnccc2C)s1 ZINC000269458658 1127040059 /nfs/dbraw/zinc/04/00/59/1127040059.db2.gz GEBCTONQXYKLNN-GFCCVEGCSA-N 0 1 275.421 3.656 20 0 CHADMN CCc1cccc(F)c1CN[C@H](c1ccccc1)[C@H](C)O ZINC000668788231 1127039083 /nfs/dbraw/zinc/03/90/83/1127039083.db2.gz HERZHTLKGAZFIZ-UGSOOPFHSA-N 0 1 287.378 3.600 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H](C)Oc2cccc(F)c2)cs1 ZINC000269430697 1127039627 /nfs/dbraw/zinc/03/96/27/1127039627.db2.gz PNFBRDHBLZNMIM-MNOVXSKESA-N 0 1 294.395 3.709 20 0 CHADMN Cc1nc([C@@H](C)NCCCNc2ccccc2)cs1 ZINC000269448640 1127039985 /nfs/dbraw/zinc/03/99/85/1127039985.db2.gz VIZRCZQDNIPMHG-GFCCVEGCSA-N 0 1 275.421 3.604 20 0 CHADMN Cc1nc2c(s1)[C@H](N(C)Cc1cnccc1C)CCC2 ZINC000269623593 1127043138 /nfs/dbraw/zinc/04/31/38/1127043138.db2.gz JBWJDPYXFFRXDR-OAHLLOKOSA-N 0 1 287.432 3.664 20 0 CHADMN CCc1ccc(NC(=O)c2cn[nH]c2C(C)(C)C)cc1F ZINC000487912121 1127047738 /nfs/dbraw/zinc/04/77/38/1127047738.db2.gz JFKANMFCEOSAPY-UHFFFAOYSA-N 0 1 289.354 3.661 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cn3ccsc3n1)CCC2 ZINC000269940375 1127048218 /nfs/dbraw/zinc/04/82/18/1127048218.db2.gz GFCPITSDXYNSLY-INIZCTEOSA-N 0 1 297.427 3.871 20 0 CHADMN O=C(CCC1CCCCC1)Nc1ccccc1-c1nnc[nH]1 ZINC000269963334 1127049111 /nfs/dbraw/zinc/04/91/11/1127049111.db2.gz ZDPOKSAXHRFKTB-UHFFFAOYSA-N 0 1 298.390 3.771 20 0 CHADMN COc1ncccc1CN[C@@H](C)c1ccc2ncsc2c1 ZINC000488062913 1127054306 /nfs/dbraw/zinc/05/43/06/1127054306.db2.gz ILOCOYCODLEJDN-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN Cc1ncc(C(=O)N(Cc2ccccc2)C2CCCCC2)[nH]1 ZINC000270125968 1127051073 /nfs/dbraw/zinc/05/10/73/1127051073.db2.gz RYIVVUPHRRWWKD-UHFFFAOYSA-N 0 1 297.402 3.693 20 0 CHADMN COc1cc(C)nc(CN(C)[C@@H](C)c2cccs2)c1 ZINC000270243283 1127051916 /nfs/dbraw/zinc/05/19/16/1127051916.db2.gz HZKPTIROXIJVSS-LBPRGKRZSA-N 0 1 276.405 3.653 20 0 CHADMN COCCN(Cc1ncc(C(C)(C)C)o1)[C@H]1CCC[C@@H]1C ZINC000488083080 1127055087 /nfs/dbraw/zinc/05/50/87/1127055087.db2.gz YUXBJGLXDSQVDQ-KBPBESRZSA-N 0 1 294.439 3.609 20 0 CHADMN Cc1[nH+]c(N2C[C@@H]3CC[C@H]2c2ccccc23)ccc1C(=O)[O-] ZINC000910327568 1127056569 /nfs/dbraw/zinc/05/65/69/1127056569.db2.gz LMXPZWAMDJJJGQ-LRDDRELGSA-N 0 1 294.354 3.527 20 0 CHADMN CC[N@@H+](Cc1ccc(COC)o1)Cc1cccs1 ZINC000271023355 1127064272 /nfs/dbraw/zinc/06/42/72/1127064272.db2.gz CRZNFWKOWKBKFP-UHFFFAOYSA-N 0 1 265.378 3.510 20 0 CHADMN CCN(Cc1ccc(COC)o1)Cc1cccs1 ZINC000271023355 1127064276 /nfs/dbraw/zinc/06/42/76/1127064276.db2.gz CRZNFWKOWKBKFP-UHFFFAOYSA-N 0 1 265.378 3.510 20 0 CHADMN COc1ncccc1CN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000488246599 1127065361 /nfs/dbraw/zinc/06/53/61/1127065361.db2.gz IRWVXICWDGQBMS-IENJSVCTSA-N 0 1 294.398 3.768 20 0 CHADMN CC[C@H](C)[C@H](C)NC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000488267520 1127066384 /nfs/dbraw/zinc/06/63/84/1127066384.db2.gz LZAPSCJBJSMDDL-YQQAZPJKSA-N 0 1 290.451 3.620 20 0 CHADMN COCC1CCN(Cc2ccc(F)c(C)c2Cl)CC1 ZINC001236713859 1130997197 /nfs/dbraw/zinc/99/71/97/1130997197.db2.gz PSJWSIPHACCHJT-UHFFFAOYSA-N 0 1 285.790 3.646 20 0 CHADMN CC(C)c1nc(CCN[C@@H](C)c2cscn2)cs1 ZINC000271114292 1127068309 /nfs/dbraw/zinc/06/83/09/1127068309.db2.gz IAJQMKKVBIFIHW-JTQLQIEISA-N 0 1 281.450 3.616 20 0 CHADMN C[C@H](NCCSCc1ccccc1F)c1cscn1 ZINC000271145861 1127069611 /nfs/dbraw/zinc/06/96/11/1127069611.db2.gz PGWKXKNKZGCBOL-NSHDSACASA-N 0 1 296.436 3.866 20 0 CHADMN C[C@H](NCCc1ccccc1Cl)c1cscn1 ZINC000271125141 1127069812 /nfs/dbraw/zinc/06/98/12/1127069812.db2.gz KMBKVZKYUSVHHV-JTQLQIEISA-N 0 1 266.797 3.690 20 0 CHADMN Cc1cccc(C)c1OC[C@H](C)N[C@@H](C)c1cscn1 ZINC000271162160 1127070479 /nfs/dbraw/zinc/07/04/79/1127070479.db2.gz SDAIOGLGRCZVPH-KBPBESRZSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1cc2cc(CN3CCCc4n[nH]cc4C3)oc2cc1C ZINC000668840435 1127073325 /nfs/dbraw/zinc/07/33/25/1127073325.db2.gz FFJNXSDKWBWMNQ-UHFFFAOYSA-N 0 1 295.386 3.721 20 0 CHADMN CCc1ncc(CN(C)CCOc2ccc(C)cc2)s1 ZINC000067402005 1127074747 /nfs/dbraw/zinc/07/47/47/1127074747.db2.gz VFSLPPUNBIWFOU-UHFFFAOYSA-N 0 1 290.432 3.525 20 0 CHADMN CCOc1ccc(Cl)cc1[C@@H](C)N[C@H](C)c1cn[nH]c1 ZINC000271406985 1127078822 /nfs/dbraw/zinc/07/88/22/1127078822.db2.gz ADHZZARPMJFULF-GHMZBOCLSA-N 0 1 293.798 3.874 20 0 CHADMN Fc1ccc(CN2CC[C@@H](c3cccnc3)C2)c(Cl)c1 ZINC000645981064 1127079087 /nfs/dbraw/zinc/07/90/87/1127079087.db2.gz NXSUFDGQBKWZIO-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN CC[C@H](N[C@H](C)c1n[nH]c(C(C)C)n1)c1ccccc1 ZINC000271411503 1127080078 /nfs/dbraw/zinc/08/00/78/1127080078.db2.gz ASQODJUKSKTVEL-OCCSQVGLSA-N 0 1 272.396 3.730 20 0 CHADMN C[C@@H](N[C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1cn[nH]c1 ZINC000271431627 1127080674 /nfs/dbraw/zinc/08/06/74/1127080674.db2.gz DFMUSBHSOQGBAY-QMTHXVAHSA-N 0 1 289.354 3.502 20 0 CHADMN C[C@H](N[C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1cn[nH]c1 ZINC000271431624 1127081038 /nfs/dbraw/zinc/08/10/38/1127081038.db2.gz DFMUSBHSOQGBAY-IINYFYTJSA-N 0 1 289.354 3.502 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(C)cc1 ZINC000271447652 1127082490 /nfs/dbraw/zinc/08/24/90/1127082490.db2.gz DAABQWPRDPQSJG-JKSUJKDBSA-N 0 1 269.392 3.836 20 0 CHADMN CCc1cccc2c1OCC[C@@H]2N[C@H](C)c1cccnc1 ZINC000271458686 1127083375 /nfs/dbraw/zinc/08/33/75/1127083375.db2.gz JSINCDSXYSHVTR-DYVFJYSZSA-N 0 1 282.387 3.818 20 0 CHADMN Clc1ccc2c(c1)CC[C@H]2N[C@H]1CCCc2c[nH]nc21 ZINC000271463151 1127083728 /nfs/dbraw/zinc/08/37/28/1127083728.db2.gz GKDSCZWXTOBJMO-CABCVRRESA-N 0 1 287.794 3.718 20 0 CHADMN CCCOc1cccc(CCN[C@H](C)c2cscn2)c1 ZINC000271481197 1127084853 /nfs/dbraw/zinc/08/48/53/1127084853.db2.gz IXVPBXFAAFHEQN-CYBMUJFWSA-N 0 1 290.432 3.825 20 0 CHADMN C[C@H](C(=O)Nc1nc2ccc(F)cc2[nH]1)c1cccs1 ZINC000488936087 1127085922 /nfs/dbraw/zinc/08/59/22/1127085922.db2.gz LGXONXTWELMBOS-QMMMGPOBSA-N 0 1 289.335 3.506 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2CCCc3c[nH]nc32)cc1C ZINC000271513683 1127087399 /nfs/dbraw/zinc/08/73/99/1127087399.db2.gz OJNXWSRXWAHLEW-XJKSGUPXSA-N 0 1 269.392 3.755 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1cccc(Cl)c1 ZINC000271502228 1127087580 /nfs/dbraw/zinc/08/75/80/1127087580.db2.gz MBXNDKLGOWUDTO-QMTHXVAHSA-N 0 1 275.783 3.791 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](C)c2ccc(C(C)C)cc2)n[nH]1 ZINC000271520629 1127088332 /nfs/dbraw/zinc/08/83/32/1127088332.db2.gz OIVSGGDQCIGFQF-CHWSQXEVSA-N 0 1 286.423 3.902 20 0 CHADMN Cc1nc(C(C)C)sc1[C@@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000271537176 1127089700 /nfs/dbraw/zinc/08/97/00/1127089700.db2.gz QJVRKMKUDKKRQR-VHSXEESVSA-N 0 1 278.425 3.710 20 0 CHADMN CCc1nc([C@H](C)N[C@H](CC)c2ccc(Cl)cc2)n[nH]1 ZINC000271549213 1127091246 /nfs/dbraw/zinc/09/12/46/1127091246.db2.gz RWNLLHUIINQZLJ-GXFFZTMASA-N 0 1 292.814 3.822 20 0 CHADMN c1c2ccccc2oc1CN(Cc1ccccn1)C1CC1 ZINC000271554505 1127092055 /nfs/dbraw/zinc/09/20/55/1127092055.db2.gz OVFSVMRMSCUYSM-UHFFFAOYSA-N 0 1 278.355 3.992 20 0 CHADMN CC(C)Oc1ccc([C@@H](C)N[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000271562990 1127092287 /nfs/dbraw/zinc/09/22/87/1127092287.db2.gz XGGDNMMHNYUTAJ-CXAGYDPISA-N 0 1 299.418 3.925 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2)C2CCCC2)ncn1 ZINC000271628576 1127094709 /nfs/dbraw/zinc/09/47/09/1127094709.db2.gz CMTXRGJMJXBKGL-SFHVURJKSA-N 0 1 281.403 3.806 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2cnccc2C)cc1F ZINC000271622964 1127095073 /nfs/dbraw/zinc/09/50/73/1127095073.db2.gz YSZCSJADQWFNTP-CYBMUJFWSA-N 0 1 288.366 3.779 20 0 CHADMN CC[C@H](NCc1ccc(C(C)C)cc1)c1nccn1C ZINC000271658680 1127095588 /nfs/dbraw/zinc/09/55/88/1127095588.db2.gz CUEAZFRBQIVDRA-INIZCTEOSA-N 0 1 271.408 3.784 20 0 CHADMN COc1ccccc1[C@H](NCc1c[nH]nc1C)C1CCCC1 ZINC000271639184 1127095667 /nfs/dbraw/zinc/09/56/67/1127095667.db2.gz DPJNNGGYZSBBAB-GOSISDBHSA-N 0 1 299.418 3.748 20 0 CHADMN COc1ccc([C@@H](C)NCc2cnc(Cl)s2)cc1 ZINC000271652087 1127095981 /nfs/dbraw/zinc/09/59/81/1127095981.db2.gz JFYVEXQDZBNVNC-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN CCc1noc(C)c1CN[C@H](CC)c1ccccc1 ZINC000271683095 1127096821 /nfs/dbraw/zinc/09/68/21/1127096821.db2.gz PIUUWGDNCOSQCH-OAHLLOKOSA-N 0 1 258.365 3.786 20 0 CHADMN CC1(C)CC[C@H]1NCc1ncc(-c2ccccc2)o1 ZINC000570462064 1127104656 /nfs/dbraw/zinc/10/46/56/1127104656.db2.gz YYLRDNQSFNIOOC-CQSZACIVSA-N 0 1 256.349 3.620 20 0 CHADMN C[C@H](C(=O)Nc1cccc(C(F)F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000274169970 1127109549 /nfs/dbraw/zinc/10/95/49/1127109549.db2.gz HACDDSFWWGQZHQ-GRYCIOLGSA-N 0 1 296.361 3.824 20 0 CHADMN CCc1ncc(CNCc2ccc(C(F)F)cc2)s1 ZINC000274157741 1127109822 /nfs/dbraw/zinc/10/98/22/1127109822.db2.gz KGBNDWQLFXBVLN-UHFFFAOYSA-N 0 1 282.359 3.933 20 0 CHADMN Cc1ccc(F)cc1-c1noc([C@@H]2CCCN2C(C)C)n1 ZINC000923817751 1127112060 /nfs/dbraw/zinc/11/20/60/1127112060.db2.gz LJGANSZJPBDKMJ-AWEZNQCLSA-N 0 1 289.354 3.729 20 0 CHADMN CCn1ccnc1[C@@H]1CCCCN1CCSC(C)C ZINC000339150160 1127115598 /nfs/dbraw/zinc/11/55/98/1127115598.db2.gz SFPKGHIOHKXILQ-AWEZNQCLSA-N 0 1 281.469 3.572 20 0 CHADMN CCCN(CCC)Cn1c2ccccc2n(C)c1=S ZINC000913057923 1127121252 /nfs/dbraw/zinc/12/12/52/1127121252.db2.gz BULYOFYLOHYQHC-UHFFFAOYSA-N 0 1 277.437 3.789 20 0 CHADMN Cn1cccc1CN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000283150263 1127123313 /nfs/dbraw/zinc/12/33/13/1127123313.db2.gz XLVVJOOTJIDCSC-ZDUSSCGKSA-N 0 1 286.341 3.580 20 0 CHADMN Cn1cccc1CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000283150259 1127123408 /nfs/dbraw/zinc/12/34/08/1127123408.db2.gz XLVVJOOTJIDCSC-CYBMUJFWSA-N 0 1 286.341 3.580 20 0 CHADMN Cc1noc([C@H]2CCCN2CCCC2CCCCC2)n1 ZINC000348817823 1127129185 /nfs/dbraw/zinc/12/91/85/1127129185.db2.gz QAUIVUIUYQAHDE-OAHLLOKOSA-N 0 1 277.412 3.875 20 0 CHADMN Cc1noc([C@@H]2CCCCN2C[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000348836990 1127130747 /nfs/dbraw/zinc/13/07/47/1127130747.db2.gz ZAGFYCIVLWVVBN-ZACQAIPSSA-N 0 1 297.402 3.709 20 0 CHADMN C[C@@H](N[C@@H](c1ccc(F)cc1)C(C)(C)C)c1cn(C)cn1 ZINC000924857499 1127132471 /nfs/dbraw/zinc/13/24/71/1127132471.db2.gz SDCFUXMOWPHHFQ-WBMJQRKESA-N 0 1 289.398 3.997 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccncc2)ccc1F ZINC000348904102 1127133728 /nfs/dbraw/zinc/13/37/28/1127133728.db2.gz KQCJXXFUCZMTMD-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN CCOC(=O)[C@@H]1CC[C@@H](NCc2ccco2)c2ccccc21 ZINC000283496065 1127139705 /nfs/dbraw/zinc/13/97/05/1127139705.db2.gz YKBYTIWKSQVSAH-IAGOWNOFSA-N 0 1 299.370 3.551 20 0 CHADMN Clc1ccc(CN2CC[C@@H](c3ccccn3)C2)s1 ZINC000798962413 1131064993 /nfs/dbraw/zinc/06/49/93/1131064993.db2.gz MBCCZZUFDRZUFV-LLVKDONJSA-N 0 1 278.808 3.786 20 0 CHADMN OC[C@@H](N[C@H]1CCCc2cc(F)ccc21)c1ccsc1 ZINC000349356107 1127148431 /nfs/dbraw/zinc/14/84/31/1127148431.db2.gz PNVWLOOSABIIOT-JKSUJKDBSA-N 0 1 291.391 3.588 20 0 CHADMN CC[C@@H](C(=O)O[C@H](C)c1ccc(F)cc1)N(CC)CC ZINC000778618392 1131066730 /nfs/dbraw/zinc/06/67/30/1131066730.db2.gz SHWGVKRCNNJCNH-DOMZBBRYSA-N 0 1 281.371 3.550 20 0 CHADMN Cc1cc(CNCc2ccc3ccccc3n2)cnc1Cl ZINC000760664618 1127158924 /nfs/dbraw/zinc/15/89/24/1127158924.db2.gz YINAGZAUNVORPN-UHFFFAOYSA-N 0 1 297.789 3.881 20 0 CHADMN CCOC(=O)c1ccc(CN2CCC[C@H]2c2ccccc2)o1 ZINC000349750059 1127159424 /nfs/dbraw/zinc/15/94/24/1127159424.db2.gz SOAGWKDOQJBMBE-INIZCTEOSA-N 0 1 299.370 3.793 20 0 CHADMN O=C(c1ccc2cncn2c1)N1CCC[C@@H]1C1CCCCC1 ZINC000283847921 1127159450 /nfs/dbraw/zinc/15/94/50/1127159450.db2.gz GFKKHKUFYZZIDV-QGZVFWFLSA-N 0 1 297.402 3.519 20 0 CHADMN COc1cc(C[N@@H+](C)Cc2cccc3cc[nH]c32)ccc1O ZINC000349804755 1127162155 /nfs/dbraw/zinc/16/21/55/1127162155.db2.gz SCALISDBIQLMBG-UHFFFAOYSA-N 0 1 296.370 3.514 20 0 CHADMN CSc1ccccc1C[C@@H](C)N[C@H](C)c1ccon1 ZINC000349855415 1127165072 /nfs/dbraw/zinc/16/50/72/1127165072.db2.gz BIBYLMUHJYDGNO-VXGBXAGGSA-N 0 1 276.405 3.678 20 0 CHADMN Cc1ccoc1CN1CCSC[C@@H]1c1ccccc1 ZINC000349862554 1127166229 /nfs/dbraw/zinc/16/62/29/1127166229.db2.gz WVCWTJOXJNKICD-OAHLLOKOSA-N 0 1 273.401 3.878 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@H](C)c1ccccc1OC(F)F ZINC000679330334 1127166838 /nfs/dbraw/zinc/16/68/38/1127166838.db2.gz HWIGXYSFKNXOTI-NXEZZACHSA-N 0 1 295.333 3.731 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@H](C)c1ccccc1OC(F)F ZINC000679330340 1127166952 /nfs/dbraw/zinc/16/69/52/1127166952.db2.gz HWIGXYSFKNXOTI-ZJUUUORDSA-N 0 1 295.333 3.731 20 0 CHADMN CCN(C/C=C/c1ccc(F)cc1F)Cc1ccccn1 ZINC000350021372 1127171244 /nfs/dbraw/zinc/17/12/44/1127171244.db2.gz WGXCLYGDWZKQIN-AATRIKPKSA-N 0 1 288.341 3.895 20 0 CHADMN Cc1cc(C)cc(N(C)Cc2ccc3nc[nH]c3c2)c1 ZINC000543742972 1127174335 /nfs/dbraw/zinc/17/43/35/1127174335.db2.gz MLQMEYVILFKVFK-UHFFFAOYSA-N 0 1 265.360 3.816 20 0 CHADMN Cc1cc([C@H](C)NCCCCOCc2ccccc2)no1 ZINC000284117984 1127175273 /nfs/dbraw/zinc/17/52/73/1127175273.db2.gz NPMQCZDLAPYYPK-HNNXBMFYSA-N 0 1 288.391 3.631 20 0 CHADMN Cc1nccc(N[C@@H](C)c2nc3ccccc3[nH]2)c1Cl ZINC000350285717 1127176262 /nfs/dbraw/zinc/17/62/62/1127176262.db2.gz HPUAPCWGLXBLKD-JTQLQIEISA-N 0 1 286.766 3.515 20 0 CHADMN COCC1(NCc2csc(-c3ccsc3)n2)CCC1 ZINC000284162993 1127176873 /nfs/dbraw/zinc/17/68/73/1127176873.db2.gz WKUGOXBBSNHWAZ-UHFFFAOYSA-N 0 1 294.445 3.530 20 0 CHADMN Cc1nccc(N2CCC[C@@H](C(F)(F)F)C2)c1Cl ZINC000350311510 1127177110 /nfs/dbraw/zinc/17/71/10/1127177110.db2.gz IBSKXYRJXOBLJP-SECBINFHSA-N 0 1 278.705 3.822 20 0 CHADMN CCC[N@H+](Cc1cc(Cl)nc(Cl)c1[O-])CC(C)C ZINC001237523794 1131111237 /nfs/dbraw/zinc/11/12/37/1131111237.db2.gz UPSAMNVAFQLVLF-UHFFFAOYSA-N 0 1 291.222 3.962 20 0 CHADMN CCc1nocc1CN1CCC[C@H]1c1ccccc1OC ZINC000351303604 1127187333 /nfs/dbraw/zinc/18/73/33/1127187333.db2.gz NAUGOCWTVSJRDE-INIZCTEOSA-N 0 1 286.375 3.583 20 0 CHADMN C[C@H](NCc1ccnc(OC(F)F)c1)c1ccsc1 ZINC000284445142 1127184028 /nfs/dbraw/zinc/18/40/28/1127184028.db2.gz TVJLSFVXALGSLU-VIFPVBQESA-N 0 1 284.331 3.595 20 0 CHADMN C[C@@H](NCc1ccnc(OC(F)F)c1)c1ccsc1 ZINC000284445140 1127184074 /nfs/dbraw/zinc/18/40/74/1127184074.db2.gz TVJLSFVXALGSLU-SECBINFHSA-N 0 1 284.331 3.595 20 0 CHADMN COc1ccc(CN(C(C)C)C2CC2)c(Cl)c1 ZINC000351053590 1127184824 /nfs/dbraw/zinc/18/48/24/1127184824.db2.gz SFPPZMNBKZBEIW-UHFFFAOYSA-N 0 1 253.773 3.721 20 0 CHADMN Cc1cc(Cl)cc(CN2CCC[C@@H](n3cccn3)C2)c1 ZINC000351262097 1127187181 /nfs/dbraw/zinc/18/71/81/1127187181.db2.gz OJMUHNMOVNQYOE-MRXNPFEDSA-N 0 1 289.810 3.682 20 0 CHADMN CO[C@@H](CN(C)Cc1nc2ccccc2o1)c1ccccc1 ZINC000284514329 1127187812 /nfs/dbraw/zinc/18/78/12/1127187812.db2.gz VXFODSKMTYOMJT-KRWDZBQOSA-N 0 1 296.370 3.647 20 0 CHADMN CC(C)(C)[C@H]1C[N@@H+](Cc2ccc3occc3c2)CCO1 ZINC000572008971 1127191248 /nfs/dbraw/zinc/19/12/48/1127191248.db2.gz QDYAMPJJJLOKMS-MRXNPFEDSA-N 0 1 273.376 3.680 20 0 CHADMN CC(C)(C)[C@H]1CN(Cc2ccc3occc3c2)CCO1 ZINC000572008971 1127191251 /nfs/dbraw/zinc/19/12/51/1127191251.db2.gz QDYAMPJJJLOKMS-MRXNPFEDSA-N 0 1 273.376 3.680 20 0 CHADMN CC(C)Cn1ccnc1NCc1cc2ccccc2o1 ZINC000351569128 1127194395 /nfs/dbraw/zinc/19/43/95/1127194395.db2.gz RDRGBOKQYTXJOG-UHFFFAOYSA-N 0 1 269.348 3.897 20 0 CHADMN COCCN(Cc1ccc(C)cn1)[C@H](C)c1ccccc1 ZINC000351601681 1127197562 /nfs/dbraw/zinc/19/75/62/1127197562.db2.gz OAMDLJCYQUXJLG-MRXNPFEDSA-N 0 1 284.403 3.600 20 0 CHADMN Cc1cc(Cl)cc(CN(C)Cc2cccn2C)c1 ZINC000351642138 1127201242 /nfs/dbraw/zinc/20/12/42/1127201242.db2.gz TVHOQXUELOSQQP-UHFFFAOYSA-N 0 1 262.784 3.619 20 0 CHADMN Cc1ncc(CN(Cc2cccc(F)c2)C2CCCC2)cn1 ZINC000351661813 1127202224 /nfs/dbraw/zinc/20/22/24/1127202224.db2.gz OZMDOLQJWREPAD-UHFFFAOYSA-N 0 1 299.393 3.869 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCC(C)(C)CC2)c1 ZINC000588905002 1127203841 /nfs/dbraw/zinc/20/38/41/1127203841.db2.gz RCGFTSFKVLOIQJ-OAHLLOKOSA-N 0 1 288.435 3.752 20 0 CHADMN CC(C)c1cccc(NC(=O)CN(C)CC(C)(C)C)c1 ZINC000588901632 1127204343 /nfs/dbraw/zinc/20/43/43/1127204343.db2.gz TZNCCXSSPGDNMA-UHFFFAOYSA-N 0 1 276.424 3.726 20 0 CHADMN Cc1n[nH]c(C)c1CNCc1cc(Cl)cc(Cl)c1 ZINC000588911685 1127206455 /nfs/dbraw/zinc/20/64/55/1127206455.db2.gz QMESOVJPNZPZLT-UHFFFAOYSA-N 0 1 284.190 3.623 20 0 CHADMN Cc1ccc(CN2CCc3ccc(O)cc3C2)cc1C ZINC000351959165 1127214840 /nfs/dbraw/zinc/21/48/40/1127214840.db2.gz NQILTXXYHVPOHR-UHFFFAOYSA-N 0 1 267.372 3.567 20 0 CHADMN CC[N@@H+](Cc1ccccn1)Cc1c([O-])ccc(Cl)c1F ZINC000191352664 1127212844 /nfs/dbraw/zinc/21/28/44/1127212844.db2.gz BLJOKOPIBFSFCG-UHFFFAOYSA-N 0 1 294.757 3.602 20 0 CHADMN Clc1csc(CN2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000285053364 1127215377 /nfs/dbraw/zinc/21/53/77/1127215377.db2.gz LGVJVHHOEUKQIO-CHWSQXEVSA-N 0 1 271.813 3.545 20 0 CHADMN FCCCCN[C@H](c1nccs1)c1ccccc1 ZINC000285156293 1127218811 /nfs/dbraw/zinc/21/88/11/1127218811.db2.gz MBEWGMNYUNYNHV-ZDUSSCGKSA-N 0 1 264.369 3.572 20 0 CHADMN O=[N+]([O-])c1ccc(CNCc2cccs2)cc1Cl ZINC000187606733 1127219936 /nfs/dbraw/zinc/21/99/36/1127219936.db2.gz XJBROFSPQHFPGT-UHFFFAOYSA-N 0 1 282.752 3.600 20 0 CHADMN CCC(CC)N(CC(C)C)C(=O)c1ccc2cncn2c1 ZINC000285282273 1127221831 /nfs/dbraw/zinc/22/18/31/1127221831.db2.gz NKDLRFDESHNMBI-UHFFFAOYSA-N 0 1 287.407 3.621 20 0 CHADMN CSC1(CNCc2c(F)c(F)cc(F)c2F)CCC1 ZINC000589508021 1127222521 /nfs/dbraw/zinc/22/25/21/1127222521.db2.gz QDEQZZYBTUKUIY-UHFFFAOYSA-N 0 1 293.329 3.618 20 0 CHADMN CCCC[C@@H](CC)C[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C ZINC000572663570 1127223809 /nfs/dbraw/zinc/22/38/09/1127223809.db2.gz RVQMTCWIANIZFJ-GBJTYRQASA-N 0 1 269.429 3.776 20 0 CHADMN CCCOc1ccc(C(C)(C)NCc2cnc(C)nc2)cc1 ZINC000352403904 1127229220 /nfs/dbraw/zinc/22/92/20/1127229220.db2.gz ZEHQGSQCFQZOAL-UHFFFAOYSA-N 0 1 299.418 3.599 20 0 CHADMN Cc1ccc(CN2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1 ZINC000589604898 1127229522 /nfs/dbraw/zinc/22/95/22/1127229522.db2.gz GLUZGOOKVRVUHY-LPHOPBHVSA-N 0 1 281.399 3.957 20 0 CHADMN c1ccc([C@H]2CCCN(Cc3nnc(C4CC4)o3)CC2)cc1 ZINC000589609820 1127230279 /nfs/dbraw/zinc/23/02/79/1127230279.db2.gz QTNWOVVTRJGGOT-HNNXBMFYSA-N 0 1 297.402 3.717 20 0 CHADMN CC(C)Oc1ccccc1CNCc1n[nH]c2ccccc12 ZINC000589642892 1127231789 /nfs/dbraw/zinc/23/17/89/1127231789.db2.gz PRRRWHRNNWWRBG-UHFFFAOYSA-N 0 1 295.386 3.640 20 0 CHADMN CC(C)Oc1ccccc1CNCc1[nH]nc2ccccc21 ZINC000589642892 1127231792 /nfs/dbraw/zinc/23/17/92/1127231792.db2.gz PRRRWHRNNWWRBG-UHFFFAOYSA-N 0 1 295.386 3.640 20 0 CHADMN Cc1cc(CN[C@H](C)c2oc3ccccc3c2C)[nH]n1 ZINC000589644294 1127231889 /nfs/dbraw/zinc/23/18/89/1127231889.db2.gz LJXMAASVVNUBPT-GFCCVEGCSA-N 0 1 269.348 3.624 20 0 CHADMN Cc1cc(CN[C@H](C)c2oc3ccccc3c2C)n[nH]1 ZINC000589644294 1127231893 /nfs/dbraw/zinc/23/18/93/1127231893.db2.gz LJXMAASVVNUBPT-GFCCVEGCSA-N 0 1 269.348 3.624 20 0 CHADMN Cn1c(CN[C@@H](c2cccs2)C2CC2)nc2ccccc21 ZINC000589639145 1127232347 /nfs/dbraw/zinc/23/23/47/1127232347.db2.gz QKQSJBJFTVOMFB-QGZVFWFLSA-N 0 1 297.427 3.876 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1nn(C)c2ccccc12 ZINC000589647770 1127233534 /nfs/dbraw/zinc/23/35/34/1127233534.db2.gz MFHCIWTYTVOUHX-KRWDZBQOSA-N 0 1 291.398 3.659 20 0 CHADMN c1cc2cc(CNCc3cncs3)ccc2s1 ZINC000352465552 1127234694 /nfs/dbraw/zinc/23/46/94/1127234694.db2.gz LGXJTAVYEWPKQS-UHFFFAOYSA-N 0 1 260.387 3.648 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1NCc1cocn1 ZINC000285566457 1127237255 /nfs/dbraw/zinc/23/72/55/1127237255.db2.gz SBVPNQNRXKYARG-UHFFFAOYSA-N 0 1 285.391 3.976 20 0 CHADMN CCOC1CC2(C1)CCN(Cc1cc(F)ccc1Cl)C2 ZINC000285571807 1127238283 /nfs/dbraw/zinc/23/82/83/1127238283.db2.gz UKAZTGIMVIQICF-UHFFFAOYSA-N 0 1 297.801 3.870 20 0 CHADMN Cc1cc2cc(CN[C@H](C)c3ccco3)ccc2[nH]1 ZINC000285611988 1127239253 /nfs/dbraw/zinc/23/92/53/1127239253.db2.gz JFLLRTPDVISMFI-GFCCVEGCSA-N 0 1 254.333 3.920 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@H]2CCc3ccccc32)c1 ZINC000285649178 1127240229 /nfs/dbraw/zinc/24/02/29/1127240229.db2.gz MECKMFXWCFGMFZ-CJNGLKHVSA-N 0 1 252.361 3.728 20 0 CHADMN Cc1noc([C@H]2CCCCN2CCCc2ccccc2)n1 ZINC000285681045 1127241045 /nfs/dbraw/zinc/24/10/45/1127241045.db2.gz NYEOQCAGBVIJLO-MRXNPFEDSA-N 0 1 285.391 3.538 20 0 CHADMN CSCc1ccc(CN[C@@H](C)c2ccccn2)cc1 ZINC000285861620 1127245581 /nfs/dbraw/zinc/24/55/81/1127245581.db2.gz ZSCAPVRGVKJFOY-ZDUSSCGKSA-N 0 1 272.417 3.795 20 0 CHADMN CC[C@H](NC1CC(OC(C)(C)C)C1)c1nccs1 ZINC000352790473 1127245679 /nfs/dbraw/zinc/24/56/79/1127245679.db2.gz TWPSMUFMSLIBKG-MCIGGMRASA-N 0 1 268.426 3.530 20 0 CHADMN CC[C@@H](C)N(C)Cc1csc(-c2ccc(O)cc2)n1 ZINC001237980505 1131157577 /nfs/dbraw/zinc/15/75/77/1131157577.db2.gz CWXWXKVYYCTHFW-LLVKDONJSA-N 0 1 276.405 3.746 20 0 CHADMN CSC[C@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000590054800 1127247102 /nfs/dbraw/zinc/24/71/02/1127247102.db2.gz LEZZSNJVKCBKIQ-LBPRGKRZSA-N 0 1 296.505 3.597 20 0 CHADMN C[C@H](CN(C)Cc1cccc(O)c1Cl)c1nccs1 ZINC000352874403 1127247610 /nfs/dbraw/zinc/24/76/10/1127247610.db2.gz HSLUFQZAJWWZAV-SNVBAGLBSA-N 0 1 296.823 3.738 20 0 CHADMN CC(C)c1cccc(CNCc2cnn(CC(F)F)c2)c1 ZINC000352945492 1127253097 /nfs/dbraw/zinc/25/30/97/1127253097.db2.gz JALVCAHQXYLXJE-UHFFFAOYSA-N 0 1 293.361 3.561 20 0 CHADMN C[C@@H]1CSCCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000286220354 1127263238 /nfs/dbraw/zinc/26/32/38/1127263238.db2.gz QWBYGZMLPVPHID-ZDUSSCGKSA-N 0 1 288.416 3.527 20 0 CHADMN CSCc1cnc(CN2C[C@H](C)C[C@H](C)[C@H]2C)s1 ZINC000353157771 1127263530 /nfs/dbraw/zinc/26/35/30/1127263530.db2.gz WLDFDJJOJGBXAG-GRYCIOLGSA-N 0 1 284.494 3.873 20 0 CHADMN CCC[C@H]1CCCC[C@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC000590592200 1127264336 /nfs/dbraw/zinc/26/43/36/1127264336.db2.gz QKAYXCKDWSLBJM-DZGCQCFKSA-N 0 1 299.418 3.581 20 0 CHADMN CCN(Cc1ccc(Cl)cc1)Cc1cccc(OC)n1 ZINC000353300181 1127266555 /nfs/dbraw/zinc/26/65/55/1127266555.db2.gz BWAXTKMQVCQJEL-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN CSCC(C)(C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000286653609 1127271152 /nfs/dbraw/zinc/27/11/52/1127271152.db2.gz FWQLCTJGEPMLSP-UHFFFAOYSA-N 0 1 291.775 3.512 20 0 CHADMN C[C@H](N[C@H](CO)c1ccsc1)c1nccc2ccccc21 ZINC000353592676 1127271411 /nfs/dbraw/zinc/27/14/11/1127271411.db2.gz BCKFRIVNJMFQII-BLLLJJGKSA-N 0 1 298.411 3.681 20 0 CHADMN Cc1occc1CNCc1ccccc1N1CCCCC1 ZINC000353704596 1127273073 /nfs/dbraw/zinc/27/30/73/1127273073.db2.gz NOPJFKAVQMMMHF-UHFFFAOYSA-N 0 1 284.403 3.868 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CCC[C@@H]1C1CC1 ZINC000590787867 1127273083 /nfs/dbraw/zinc/27/30/83/1127273083.db2.gz LMKKSMJTWWXFOD-CQSZACIVSA-N 0 1 287.382 3.570 20 0 CHADMN CCCCN(CC)C(=O)CN(Cc1cccs1)C(C)C ZINC000353705358 1127273189 /nfs/dbraw/zinc/27/31/89/1127273189.db2.gz FGWBRUUEDRBXMI-UHFFFAOYSA-N 0 1 296.480 3.607 20 0 CHADMN COc1ccccc1C(C)(C)NCc1n[nH]c2ccccc12 ZINC000590798380 1127273886 /nfs/dbraw/zinc/27/38/86/1127273886.db2.gz SCESUCGZGRVUHL-UHFFFAOYSA-N 0 1 295.386 3.596 20 0 CHADMN COc1ccccc1C(C)(C)NCc1[nH]nc2ccccc21 ZINC000590798380 1127273888 /nfs/dbraw/zinc/27/38/88/1127273888.db2.gz SCESUCGZGRVUHL-UHFFFAOYSA-N 0 1 295.386 3.596 20 0 CHADMN Cc1noc([C@H]2CCCCN2C[C@H](C)CC(C)C)n1 ZINC000353553535 1127270332 /nfs/dbraw/zinc/27/03/32/1127270332.db2.gz FCAPPJGFFVIROK-TZMCWYRMSA-N 0 1 265.401 3.587 20 0 CHADMN Cc1sccc1CN1Cc2ccc(O)cc2C2(CC2)C1 ZINC000353571429 1127270429 /nfs/dbraw/zinc/27/04/29/1127270429.db2.gz RJTNCNDKOIREPY-UHFFFAOYSA-N 0 1 285.412 3.810 20 0 CHADMN CC[C@@H](N[C@@H](c1nccn1C)C1CC1)c1cccc(OC)c1 ZINC000353931021 1127279554 /nfs/dbraw/zinc/27/95/54/1127279554.db2.gz SWJAIMPSZIOZPT-IAGOWNOFSA-N 0 1 299.418 3.621 20 0 CHADMN Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000353971106 1127282296 /nfs/dbraw/zinc/28/22/96/1127282296.db2.gz IEAYEECLLVGFAD-APPDUMDISA-N 0 1 287.382 3.749 20 0 CHADMN Cc1n[nH]c(C)c1CN1CC2(CCC2)[C@H]1c1ccccc1 ZINC000353987127 1127283540 /nfs/dbraw/zinc/28/35/40/1127283540.db2.gz NGSYLFVKDJEFMM-QGZVFWFLSA-N 0 1 281.403 3.754 20 0 CHADMN C[C@H](NCC1(C(F)(F)F)CCC1)c1nccs1 ZINC000353995879 1127284012 /nfs/dbraw/zinc/28/40/12/1127284012.db2.gz LYNRGPMEXCOPKE-QMMMGPOBSA-N 0 1 264.316 3.526 20 0 CHADMN CCCCOC1CCN(Cc2ccccc2F)CC1 ZINC000353998798 1127284098 /nfs/dbraw/zinc/28/40/98/1127284098.db2.gz XCUKQOBUTYWNEU-UHFFFAOYSA-N 0 1 265.372 3.607 20 0 CHADMN CCC(C)(C)[C@H]1CCCN1Cc1csc(COC)n1 ZINC000354008101 1127285043 /nfs/dbraw/zinc/28/50/43/1127285043.db2.gz BIZIEMNOBIQGDA-CYBMUJFWSA-N 0 1 282.453 3.690 20 0 CHADMN CSC[C@@H]1CCCN1Cc1ccc(Cl)c(F)c1 ZINC000354078245 1127290622 /nfs/dbraw/zinc/29/06/22/1127290622.db2.gz PEZKGIQYMFIKGY-NSHDSACASA-N 0 1 273.804 3.807 20 0 CHADMN Cc1nc(CN2CC[C@H](C)C(C)(C)C2)sc1C ZINC000354042824 1127288563 /nfs/dbraw/zinc/28/85/63/1127288563.db2.gz SIADAZNQSQMQCJ-JTQLQIEISA-N 0 1 252.427 3.628 20 0 CHADMN Cn1ccnc1CN1CCC[C@H](CCCc2ccccc2)C1 ZINC000354054358 1127289276 /nfs/dbraw/zinc/28/92/76/1127289276.db2.gz SLUPBOFDYOSYGD-SFHVURJKSA-N 0 1 297.446 3.655 20 0 CHADMN CSC[C@H]1CCCN1Cc1ccc(F)c(Cl)c1 ZINC000354087702 1127291572 /nfs/dbraw/zinc/29/15/72/1127291572.db2.gz FCEXFRSHPLEBKO-LLVKDONJSA-N 0 1 273.804 3.807 20 0 CHADMN CC(C)c1cc(CN2CCC[C@](C)(O)C2)ccc1Cl ZINC001238230285 1131185544 /nfs/dbraw/zinc/18/55/44/1131185544.db2.gz XJMQOPUTEVITAZ-INIZCTEOSA-N 0 1 281.827 3.810 20 0 CHADMN COc1cccc2c1CC[C@@H]2Nc1ccnc(C)c1Cl ZINC000354155293 1127296482 /nfs/dbraw/zinc/29/64/82/1127296482.db2.gz KUQNYRDJLMBBBX-ZDUSSCGKSA-N 0 1 288.778 3.573 20 0 CHADMN Cc1[nH]c2ccc(CNCc3ccnn3C(C)C)cc2c1C ZINC000354172481 1127297091 /nfs/dbraw/zinc/29/70/91/1127297091.db2.gz AZFROISWWKLXKX-UHFFFAOYSA-N 0 1 296.418 3.852 20 0 CHADMN CC(C)COc1ccccc1CNCc1ccccc1CO ZINC000573195505 1127297585 /nfs/dbraw/zinc/29/75/85/1127297585.db2.gz SOBFNPFJAMESJW-UHFFFAOYSA-N 0 1 299.414 3.504 20 0 CHADMN CCCCN(C)Cc1cc(F)ccc1Br ZINC000591372378 1127299695 /nfs/dbraw/zinc/29/96/95/1127299695.db2.gz OXOUKMGCEJSYCP-UHFFFAOYSA-N 0 1 274.177 3.820 20 0 CHADMN Fc1ccc(Br)c(CN2CCC[C@H]2C2CC2)c1 ZINC000591377188 1127299970 /nfs/dbraw/zinc/29/99/70/1127299970.db2.gz MTGDPHIKBKNBRQ-AWEZNQCLSA-N 0 1 298.199 3.963 20 0 CHADMN CCN(CC)[C@@H](C(=O)N(C)CC(C)(C)C)c1ccccc1 ZINC000591454352 1127302494 /nfs/dbraw/zinc/30/24/94/1127302494.db2.gz VNXDIUQQQFYFAS-MRXNPFEDSA-N 0 1 290.451 3.574 20 0 CHADMN CO[C@H](C)CN(Cc1ncc(-c2ccccc2)o1)C(C)C ZINC000354440984 1127308536 /nfs/dbraw/zinc/30/85/36/1127308536.db2.gz BZSFPTVVSZZQAH-CQSZACIVSA-N 0 1 288.391 3.587 20 0 CHADMN COc1c(Cl)ccc(F)c1CN1C[C@@H]2CCC[C@@H]2C1 ZINC001238335356 1131191008 /nfs/dbraw/zinc/19/10/08/1131191008.db2.gz QIIQYIAXURHTQY-PHIMTYICSA-N 0 1 283.774 3.720 20 0 CHADMN COc1ccncc1CN[C@H](C)c1ccc(C)c(C)c1 ZINC000287909697 1127315046 /nfs/dbraw/zinc/31/50/46/1127315046.db2.gz VJDGMQQBGBWRFL-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN COc1ccncc1CN[C@H](C)c1cccc(C)c1C ZINC000287973330 1127315251 /nfs/dbraw/zinc/31/52/51/1127315251.db2.gz ZNNHTZGNRQXVLP-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN C[C@@H](N(C)Cc1cc(O)ccc1Br)C1(C)CC1 ZINC000355082237 1127317115 /nfs/dbraw/zinc/31/71/15/1127317115.db2.gz QIBDTGDJPPKLJT-SNVBAGLBSA-N 0 1 298.224 3.775 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1Cc1csc(Br)c1 ZINC000355119431 1127318899 /nfs/dbraw/zinc/31/88/99/1127318899.db2.gz XFERMIVLXYDCQL-DTWKUNHWSA-N 0 1 274.227 3.741 20 0 CHADMN C[C@H]1CCN(Cc2csc(Br)c2)[C@H]1C ZINC000355119433 1127319095 /nfs/dbraw/zinc/31/90/95/1127319095.db2.gz XFERMIVLXYDCQL-IUCAKERBSA-N 0 1 274.227 3.741 20 0 CHADMN CC[C@H](N[C@@H](C)c1nc(C(C)C)no1)C(C)(C)C ZINC000591819127 1127320223 /nfs/dbraw/zinc/32/02/23/1127320223.db2.gz FETICXTZQFLOSC-QWRGUYRKSA-N 0 1 253.390 3.668 20 0 CHADMN Cc1cscc1CNCc1ccnn1-c1ccccc1C ZINC000355156315 1127321237 /nfs/dbraw/zinc/32/12/37/1127321237.db2.gz DMUCTAKFVFQUQI-UHFFFAOYSA-N 0 1 297.427 3.840 20 0 CHADMN Cn1ccnc1CN1CCCC[C@H]1CCCc1ccccc1 ZINC000355197156 1127324171 /nfs/dbraw/zinc/32/41/71/1127324171.db2.gz LKJTXZXDKRIAOB-SFHVURJKSA-N 0 1 297.446 3.798 20 0 CHADMN CC(C)Oc1c(F)ccc(CN2CCC(C)(C)C2)c1F ZINC001238531922 1131213189 /nfs/dbraw/zinc/21/31/89/1131213189.db2.gz LORUAMPBOREQBQ-UHFFFAOYSA-N 0 1 283.362 3.984 20 0 CHADMN CSc1ccccc1CN(C)Cc1ccc2c[nH]nc2c1 ZINC000355218028 1127326208 /nfs/dbraw/zinc/32/62/08/1127326208.db2.gz UAWBDAVBZDFMID-UHFFFAOYSA-N 0 1 297.427 3.917 20 0 CHADMN Cc1oc2ccccc2c1CN1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000355213968 1127326373 /nfs/dbraw/zinc/32/63/73/1127326373.db2.gz GHEJSWHREMXKBE-KZULUSFZSA-N 0 1 285.387 3.741 20 0 CHADMN CC(C)CC1CCN(Cc2ccnc(Cl)c2)CC1 ZINC000760923429 1127333746 /nfs/dbraw/zinc/33/37/46/1127333746.db2.gz AVFBGLWPLIULFW-UHFFFAOYSA-N 0 1 266.816 3.993 20 0 CHADMN CSc1ccc(Cl)cc1CN1CC[C@@H]2CCO[C@H]2C1 ZINC001238670306 1131228578 /nfs/dbraw/zinc/22/85/78/1131228578.db2.gz DYLQSQTTZMCPPF-RISCZKNCSA-N 0 1 297.851 3.673 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H](C)CC(C)(C)C)cc2[nH]1 ZINC000355369662 1127337079 /nfs/dbraw/zinc/33/70/79/1127337079.db2.gz AZYUTBULDGEZFQ-JTQLQIEISA-N 0 1 273.380 3.882 20 0 CHADMN Cc1[nH]ncc1CNc1cccc(COC(C)(C)C)c1C ZINC000355393136 1127338631 /nfs/dbraw/zinc/33/86/31/1127338631.db2.gz YAQGEKWENPIETG-UHFFFAOYSA-N 0 1 287.407 3.954 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@@H]1NCc1ccc(F)c(F)c1 ZINC000288502514 1127343902 /nfs/dbraw/zinc/34/39/02/1127343902.db2.gz IDYKVFGNAQEQAD-MGPLVRAMSA-N 0 1 275.298 3.577 20 0 CHADMN Cc1cccc(Oc2ccccc2CNCc2cn[nH]c2)c1 ZINC000592456576 1127350924 /nfs/dbraw/zinc/35/09/24/1127350924.db2.gz HKMGMTGQTBIGIE-UHFFFAOYSA-N 0 1 293.370 3.800 20 0 CHADMN Cc1ccncc1CN(C)C/C=C\c1ccc(F)cc1 ZINC000355586060 1127351782 /nfs/dbraw/zinc/35/17/82/1127351782.db2.gz RLMKRXKPUKJYPH-ARJAWSKDSA-N 0 1 270.351 3.674 20 0 CHADMN CO[C@]1(C)CCCN(Cc2csc(C(C)C)n2)CC1 ZINC000355590355 1127352598 /nfs/dbraw/zinc/35/25/98/1127352598.db2.gz ZYTLALSHLFKTKB-OAHLLOKOSA-N 0 1 282.453 3.658 20 0 CHADMN Cc1nccc(N2CCSC(C)(C)CC2)c1Cl ZINC000355671956 1127357685 /nfs/dbraw/zinc/35/76/85/1127357685.db2.gz MGRHQFDMZGWLFP-UHFFFAOYSA-N 0 1 270.829 3.765 20 0 CHADMN C[C@H]1CC[N@@H+](CCc2ccc3ccccc3c2)[C@@H](C(=O)[O-])C1 ZINC000574284499 1127382234 /nfs/dbraw/zinc/38/22/34/1127382234.db2.gz BNBYSQIOYJFCSU-KBXCAEBGSA-N 0 1 297.398 3.567 20 0 CHADMN COc1ccc2c(c1F)CC[C@H]2N[C@H](C)c1ccccn1 ZINC000289299063 1127379942 /nfs/dbraw/zinc/37/99/42/1127379942.db2.gz RWURFLBECFRHJB-IAQYHMDHSA-N 0 1 286.350 3.567 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)on1 ZINC000289284844 1127379971 /nfs/dbraw/zinc/37/99/71/1127379971.db2.gz GNODBBFBGKLXAQ-INIZCTEOSA-N 0 1 296.374 3.505 20 0 CHADMN C[C@H](CNCc1nn(C)cc1Cl)CC1CCCCC1 ZINC001308409837 1127380043 /nfs/dbraw/zinc/38/00/43/1127380043.db2.gz GEVWLKGXIJBSFB-LBPRGKRZSA-N 0 1 283.847 3.770 20 0 CHADMN C[C@H](O)c1ncc(CN[C@@H](C)c2ccc(Cl)cc2)s1 ZINC000289315153 1127381230 /nfs/dbraw/zinc/38/12/30/1127381230.db2.gz SNYOETJJNDOZFN-UWVGGRQHSA-N 0 1 296.823 3.701 20 0 CHADMN C[C@@H]1CC[N@@H+](CCc2ccc3ccccc3c2)[C@H](C(=O)[O-])C1 ZINC000574284505 1127381887 /nfs/dbraw/zinc/38/18/87/1127381887.db2.gz BNBYSQIOYJFCSU-KDOFPFPSSA-N 0 1 297.398 3.567 20 0 CHADMN C[C@@H]1CCCN(Cc2ccn(C3CCCC3)n2)[C@H]1C ZINC000357301350 1127388705 /nfs/dbraw/zinc/38/87/05/1127388705.db2.gz GDVNETSQZPTZSV-KGLIPLIRSA-N 0 1 261.413 3.619 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1ccn(C2CCCC2)n1 ZINC000357301351 1127388750 /nfs/dbraw/zinc/38/87/50/1127388750.db2.gz GDVNETSQZPTZSV-UONOGXRCSA-N 0 1 261.413 3.619 20 0 CHADMN Cc1cnc(CN2CCC3(CCCC3)CC2)s1 ZINC000357302090 1127389072 /nfs/dbraw/zinc/38/90/72/1127389072.db2.gz DJGGOZRBHXSPDT-UHFFFAOYSA-N 0 1 250.411 3.608 20 0 CHADMN Cc1nccc(N2CCC(F)(F)[C@H](C)C2)c1Cl ZINC000357598787 1127392357 /nfs/dbraw/zinc/39/23/57/1127392357.db2.gz SIYSALDSCAKTSD-MRVPVSSYSA-N 0 1 260.715 3.525 20 0 CHADMN CC/C=C\CCN(C)CC(=O)Nc1ccccc1SC ZINC000466830709 1127395265 /nfs/dbraw/zinc/39/52/65/1127395265.db2.gz HZEONZJIKAFBAA-WAYWQWQTSA-N 0 1 292.448 3.635 20 0 CHADMN Cc1cccc2c1CC[C@@H]2N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000358246107 1127410030 /nfs/dbraw/zinc/41/00/30/1127410030.db2.gz JKKSKOOIDZIPGS-DOMZBBRYSA-N 0 1 284.407 3.575 20 0 CHADMN CCc1nc([C@H](C)N[C@H](C)c2cc(C)c(F)c(C)c2)n[nH]1 ZINC000358251707 1127410590 /nfs/dbraw/zinc/41/05/90/1127410590.db2.gz RAPLDDQTSYPFRK-NEPJUHHUSA-N 0 1 290.386 3.535 20 0 CHADMN CCc1nc([C@H](C)N[C@H](C)c2ccc(F)cc2Cl)n[nH]1 ZINC000358253966 1127411638 /nfs/dbraw/zinc/41/16/38/1127411638.db2.gz XZHZKGFEMAOATD-BDAKNGLRSA-N 0 1 296.777 3.571 20 0 CHADMN CSc1ccc([C@H](C)N[C@@H](C)c2cn[nH]c2)cc1F ZINC000358351138 1127417056 /nfs/dbraw/zinc/41/70/56/1127417056.db2.gz KGNAIYADNAOAPQ-UWVGGRQHSA-N 0 1 279.384 3.683 20 0 CHADMN CSc1ccc(CNCc2cscc2C)o1 ZINC000641751746 1127413178 /nfs/dbraw/zinc/41/31/78/1127413178.db2.gz WWLVFLSZXCWBDM-UHFFFAOYSA-N 0 1 253.392 3.661 20 0 CHADMN CC(C)Oc1ccc(CN2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761054927 1127413877 /nfs/dbraw/zinc/41/38/77/1127413877.db2.gz KUBQIWKESUZXLN-ZDUSSCGKSA-N 0 1 287.325 3.858 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccc3c(c2)COC3)o1 ZINC000358310600 1127414989 /nfs/dbraw/zinc/41/49/89/1127414989.db2.gz YGSFQNGXZFTHRQ-GFCCVEGCSA-N 0 1 271.360 3.723 20 0 CHADMN CSc1ccc([C@@H](C)N[C@@H](C)c2cn[nH]c2)cc1F ZINC000358351140 1127417171 /nfs/dbraw/zinc/41/71/71/1127417171.db2.gz KGNAIYADNAOAPQ-ZJUUUORDSA-N 0 1 279.384 3.683 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cn[nH]c1)c1cc(Cl)ccc1OC ZINC000358372599 1127418515 /nfs/dbraw/zinc/41/85/15/1127418515.db2.gz WOEADDVSJLBXKD-IINYFYTJSA-N 0 1 293.798 3.874 20 0 CHADMN Cc1nnc(CN2CCC[C@H]2CCC2CCCC2)s1 ZINC000358492915 1127423848 /nfs/dbraw/zinc/42/38/48/1127423848.db2.gz BMLOJMPPSLGYQI-AWEZNQCLSA-N 0 1 279.453 3.781 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C[C@@H](C)C(C)(C)C)c1 ZINC000358530581 1127425539 /nfs/dbraw/zinc/42/55/39/1127425539.db2.gz OBTWBHOZONHFQF-SNVBAGLBSA-N 0 1 277.364 3.606 20 0 CHADMN CC(C)Sc1ccccc1NC(=O)c1ncccc1O ZINC000358555232 1127426697 /nfs/dbraw/zinc/42/66/97/1127426697.db2.gz IDEWRQRVBHENRH-UHFFFAOYSA-N 0 1 288.372 3.540 20 0 CHADMN Clc1ccc(CN[C@H]2CCc3cccnc32)s1 ZINC000226821440 1127427171 /nfs/dbraw/zinc/42/71/71/1127427171.db2.gz YYNPKMNQIYXLGW-NSHDSACASA-N 0 1 264.781 3.574 20 0 CHADMN C[C@H](SCc1c[nH]nn1)c1cccc(C(F)(F)F)c1 ZINC000594912419 1127434984 /nfs/dbraw/zinc/43/49/84/1127434984.db2.gz XDJVITVDJLLFNW-QMMMGPOBSA-N 0 1 287.310 3.818 20 0 CHADMN Cc1cccnc1CN1CC(c2nc3ccccc3s2)C1 ZINC000358827702 1127435170 /nfs/dbraw/zinc/43/51/70/1127435170.db2.gz JDYMQCDSJWGBNQ-UHFFFAOYSA-N 0 1 295.411 3.599 20 0 CHADMN CC(=O)c1ccc(OCc2ccc3nc(C)[nH]c3c2)cc1 ZINC000358856352 1127436182 /nfs/dbraw/zinc/43/61/82/1127436182.db2.gz VFQJALSSCIFBJD-UHFFFAOYSA-N 0 1 280.327 3.653 20 0 CHADMN C[C@H](CSCCF)NCc1nc(C(C)(C)C)cs1 ZINC000595015109 1127441894 /nfs/dbraw/zinc/44/18/94/1127441894.db2.gz YICHWSZTQIPNHU-SNVBAGLBSA-N 0 1 290.473 3.621 20 0 CHADMN CCSC1(CNCc2ncc(C(C)(C)C)s2)CC1 ZINC000594986570 1127443833 /nfs/dbraw/zinc/44/38/33/1127443833.db2.gz GWVRDBRSNAWLHP-UHFFFAOYSA-N 0 1 284.494 3.816 20 0 CHADMN CCSC1(CNCc2csc(C(C)(C)C)n2)CC1 ZINC000594986892 1127443913 /nfs/dbraw/zinc/44/39/13/1127443913.db2.gz LZTMHAPVBQANBD-UHFFFAOYSA-N 0 1 284.494 3.816 20 0 CHADMN FC(F)c1cccc(NCc2n[nH]c(C3CC3)n2)c1Cl ZINC000359004599 1127444123 /nfs/dbraw/zinc/44/41/23/1127444123.db2.gz UHADDADOJCOKHS-UHFFFAOYSA-N 0 1 298.724 3.885 20 0 CHADMN CC[C@H](N[C@H]1CCCc2ccc(F)cc21)c1ccn(C)n1 ZINC000359018357 1127444993 /nfs/dbraw/zinc/44/49/93/1127444993.db2.gz MOGXCVNOYGBUCG-HOTGVXAUSA-N 0 1 287.382 3.678 20 0 CHADMN CCn1ncnc1CN[C@@H](c1ccc(C)cc1)C1CCCC1 ZINC000359066591 1127447821 /nfs/dbraw/zinc/44/78/21/1127447821.db2.gz IYVIXPJQELIJCU-GOSISDBHSA-N 0 1 298.434 3.628 20 0 CHADMN CCN(Cc1cccs1)Cc1c(C)cc(OC)nc1C ZINC000359218130 1127454814 /nfs/dbraw/zinc/45/48/14/1127454814.db2.gz CQCDRIUZXBKQRK-UHFFFAOYSA-N 0 1 290.432 3.791 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1ccc(C)cn1)[C@H]2C ZINC000359302834 1127457330 /nfs/dbraw/zinc/45/73/30/1127457330.db2.gz UJIJZBUCJCFNIF-GJZGRUSLSA-N 0 1 296.414 3.906 20 0 CHADMN CC[C@H]1CN(Cc2csc(C)c2C)[C@@H](CC)CO1 ZINC000630072859 1127456523 /nfs/dbraw/zinc/45/65/23/1127456523.db2.gz LAMZXNXFMJOLGA-GJZGRUSLSA-N 0 1 267.438 3.754 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1ccco1)[C@@H]2C ZINC000359293071 1127456834 /nfs/dbraw/zinc/45/68/34/1127456834.db2.gz NDCUJJLQTWWMIT-QWHCGFSZSA-N 0 1 271.360 3.796 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1cccnc1)[C@@H]2C ZINC000359307321 1127458383 /nfs/dbraw/zinc/45/83/83/1127458383.db2.gz YALSDMAIGNEHRR-UONOGXRCSA-N 0 1 282.387 3.598 20 0 CHADMN Cc1nc2ccccn2c1CNc1cc2c(cn1)CCCC2 ZINC000359475979 1127464330 /nfs/dbraw/zinc/46/43/30/1127464330.db2.gz JCOXEEIWECZXAG-UHFFFAOYSA-N 0 1 292.386 3.529 20 0 CHADMN CCc1nc(CNc2cc3c(cn2)CCCC3)cs1 ZINC000359466009 1127464594 /nfs/dbraw/zinc/46/45/94/1127464594.db2.gz IODBHTCCYCKGNN-UHFFFAOYSA-N 0 1 273.405 3.591 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cn1cc(C)cnc1=S ZINC000758333875 1127465137 /nfs/dbraw/zinc/46/51/37/1127465137.db2.gz ZGFKMZSDRWDDGC-INIZCTEOSA-N 0 1 299.443 3.888 20 0 CHADMN CN(CCC1CCCCC1)Cc1noc2c1CCCC2 ZINC000595564891 1127465319 /nfs/dbraw/zinc/46/53/19/1127465319.db2.gz RWUMNMOHFORBIT-UHFFFAOYSA-N 0 1 276.424 3.956 20 0 CHADMN COc1cc2c(cc1F)nccc2NCc1cncc(C)c1 ZINC000359579616 1127468876 /nfs/dbraw/zinc/46/88/76/1127468876.db2.gz DWJGXDDBGXBMBL-UHFFFAOYSA-N 0 1 297.333 3.698 20 0 CHADMN Cc1nc(CN(C)C2CCCCCCC2)cs1 ZINC000076724219 1127471248 /nfs/dbraw/zinc/47/12/48/1127471248.db2.gz JOKOKIKYJKTGHG-UHFFFAOYSA-N 0 1 252.427 3.996 20 0 CHADMN CO[C@]1(C)CCCN(c2cc(C)nc3ccc(F)cc32)C1 ZINC000359742615 1127476317 /nfs/dbraw/zinc/47/63/17/1127476317.db2.gz XALPWMOMUHIOMU-QGZVFWFLSA-N 0 1 288.366 3.688 20 0 CHADMN Brc1c[nH]c(CN2CCC[C@@H]3CCC[C@@H]32)c1 ZINC001231574083 1127483044 /nfs/dbraw/zinc/48/30/44/1127483044.db2.gz ICNXDXXTCVADRT-GWCFXTLKSA-N 0 1 283.213 3.542 20 0 CHADMN CC/C=C\CCN(C)CC(=O)Nc1cccc(C)c1C ZINC000466839100 1127484195 /nfs/dbraw/zinc/48/41/95/1127484195.db2.gz XITPWHYKEJLULU-SREVYHEPSA-N 0 1 274.408 3.530 20 0 CHADMN c1cn(-c2ccccc2)c(CN[C@@H]2CCc3ccccc32)n1 ZINC000359972170 1127485176 /nfs/dbraw/zinc/48/51/76/1127485176.db2.gz UJDVWNLZCGVRMN-GOSISDBHSA-N 0 1 289.382 3.649 20 0 CHADMN CO[C@@H](C)CN1CCC[C@@H]1c1ccc(Br)cc1 ZINC000360004398 1127486184 /nfs/dbraw/zinc/48/61/84/1127486184.db2.gz OJPVZHFJCPJKTM-SMDDNHRTSA-N 0 1 298.224 3.621 20 0 CHADMN CC1(CC(F)(F)F)CN(CCc2ccc(F)cc2)C1 ZINC001308812322 1127490854 /nfs/dbraw/zinc/49/08/54/1127490854.db2.gz XGEOTFSORDQFNW-UHFFFAOYSA-N 0 1 275.289 3.643 20 0 CHADMN CC(C)N(Cc1nnc2n1CCCCC2)C1CCCCC1 ZINC000360260833 1127494189 /nfs/dbraw/zinc/49/41/89/1127494189.db2.gz CFLZGDNXRQZWFE-UHFFFAOYSA-N 0 1 290.455 3.548 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cccc2cc[nH]c21 ZINC000360430904 1127498735 /nfs/dbraw/zinc/49/87/35/1127498735.db2.gz ZUEASTWLVJOEOK-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN CC[C@H](C)c1cc(C(=O)Nc2cc3cn[nH]c3cc2C)on1 ZINC000360433563 1127498866 /nfs/dbraw/zinc/49/88/66/1127498866.db2.gz LQCOZJMAFIWUIK-VIFPVBQESA-N 0 1 298.346 3.625 20 0 CHADMN Cc1cc(Cl)ccc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000360526659 1127501572 /nfs/dbraw/zinc/50/15/72/1127501572.db2.gz GWHRBUWPMONEQW-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN Cc1nc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c(C)o1 ZINC000659903350 1127508769 /nfs/dbraw/zinc/50/87/69/1127508769.db2.gz GPORDRXONORZPV-QGZVFWFLSA-N 0 1 284.403 3.746 20 0 CHADMN Cc1nc(CN2CCC[C@H](Cc3ccccc3)C2)c(C)o1 ZINC000659903350 1127508772 /nfs/dbraw/zinc/50/87/72/1127508772.db2.gz GPORDRXONORZPV-QGZVFWFLSA-N 0 1 284.403 3.746 20 0 CHADMN Fc1ccc([C@H](C[C@H]2CCOC2)NCc2ccco2)cc1 ZINC000293579481 1127507112 /nfs/dbraw/zinc/50/71/12/1127507112.db2.gz YKLALMSQGPVOMY-DYVFJYSZSA-N 0 1 289.350 3.676 20 0 CHADMN COc1ccc(F)c(CN[C@@H]2CCc3cc(F)ccc32)c1 ZINC000293588747 1127507830 /nfs/dbraw/zinc/50/78/30/1127507830.db2.gz ODDVLOIGNCQRHY-QGZVFWFLSA-N 0 1 289.325 3.751 20 0 CHADMN Cc1sc(CNCc2ccoc2)cc1Br ZINC000227855149 1127509402 /nfs/dbraw/zinc/50/94/02/1127509402.db2.gz PKKDNOGYUJUDPO-UHFFFAOYSA-N 0 1 286.194 3.702 20 0 CHADMN CCc1noc(C)c1CN[C@H]1CCSc2ccccc21 ZINC000293706185 1127514472 /nfs/dbraw/zinc/51/44/72/1127514472.db2.gz MMZHDBXJGSPESO-HNNXBMFYSA-N 0 1 288.416 3.872 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1ccc(C(C)(F)F)cc1 ZINC000293775657 1127519507 /nfs/dbraw/zinc/51/95/07/1127519507.db2.gz SOBOFCWDYBSMOI-LBPRGKRZSA-N 0 1 291.345 3.748 20 0 CHADMN COC(=O)c1oc(CNCc2ccc(C3CC3)cc2)cc1C ZINC000597114097 1127528710 /nfs/dbraw/zinc/52/87/10/1127528710.db2.gz SUKFYOGKACNBPD-UHFFFAOYSA-N 0 1 299.370 3.542 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H](C)Oc2ccc(C)cc2)cs1 ZINC000361005714 1127529137 /nfs/dbraw/zinc/52/91/37/1127529137.db2.gz WSBRFXWTCAWDPV-OLZOCXBDSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1ccsc1CN(C)Cc1cc(O)cc(F)c1 ZINC000361015835 1127530053 /nfs/dbraw/zinc/53/00/53/1127530053.db2.gz DGCSOWXPQKTGAC-UHFFFAOYSA-N 0 1 265.353 3.533 20 0 CHADMN Cc1ccsc1CN(C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000361016055 1127530203 /nfs/dbraw/zinc/53/02/03/1127530203.db2.gz FRXXWBRAJKTLED-UHFFFAOYSA-N 0 1 287.388 3.672 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1nnc(C2CCC2)n1C ZINC000360971166 1127524928 /nfs/dbraw/zinc/52/49/28/1127524928.db2.gz ZSIBZFBNTKCKNJ-HNNXBMFYSA-N 0 1 290.455 3.627 20 0 CHADMN CC(C)(CC(=O)Nc1cc(Cl)c(O)cc1F)C1CC1 ZINC000293851564 1127525937 /nfs/dbraw/zinc/52/59/37/1127525937.db2.gz BPWRDRYGCMLNPP-UHFFFAOYSA-N 0 1 285.746 3.950 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1cnc(-c3ccccc3)[nH]1)C2 ZINC000361111720 1127538952 /nfs/dbraw/zinc/53/89/52/1127538952.db2.gz UZWDTRCVOAXPGQ-UHFFFAOYSA-N 0 1 289.382 3.901 20 0 CHADMN CCc1ccc([C@@H](CC)NCc2cnccc2OC)cc1 ZINC000294006699 1127540763 /nfs/dbraw/zinc/54/07/63/1127540763.db2.gz DBBPGPFQWNRMSW-QGZVFWFLSA-N 0 1 284.403 3.894 20 0 CHADMN COCc1ccc(CN2CCC[C@H](C(F)(F)F)[C@@H]2C)o1 ZINC000361154369 1127542284 /nfs/dbraw/zinc/54/22/84/1127542284.db2.gz PDUSQTLIEJZUAT-GWCFXTLKSA-N 0 1 291.313 3.589 20 0 CHADMN CN(C)[C@@H](CNc1nccc2occc21)c1ccsc1 ZINC000361161816 1127543110 /nfs/dbraw/zinc/54/31/10/1127543110.db2.gz NWUHGIHKJQSYEA-ZDUSSCGKSA-N 0 1 287.388 3.604 20 0 CHADMN Cn1cc(CN2CCC[C@H]2c2cccs2)c(C(F)F)n1 ZINC000361181304 1127544991 /nfs/dbraw/zinc/54/49/91/1127544991.db2.gz ZMBZUXCTZBQXOB-NSHDSACASA-N 0 1 297.374 3.756 20 0 CHADMN Cc1cccc(CN(C)Cc2ccnc(C(F)F)c2)c1 ZINC001231886738 1127546051 /nfs/dbraw/zinc/54/60/51/1127546051.db2.gz FUNLOSCEPMUCPA-UHFFFAOYSA-N 0 1 276.330 3.960 20 0 CHADMN CCCCN(C(=O)c1cnc(C)[nH]1)[C@@H]1CCC[C@H](C)C1 ZINC000294130339 1127551548 /nfs/dbraw/zinc/55/15/48/1127551548.db2.gz KWILVYMWKZHMIC-GXTWGEPZSA-N 0 1 277.412 3.539 20 0 CHADMN COc1cccc2c1OCC[C@H]2N[C@@H](C)c1cccs1 ZINC000361268154 1127552100 /nfs/dbraw/zinc/55/21/00/1127552100.db2.gz GBBDDWRLDHAQGA-WCQYABFASA-N 0 1 289.400 3.931 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2cncc(C(F)(F)F)c2)C1 ZINC000361285487 1127552674 /nfs/dbraw/zinc/55/26/74/1127552674.db2.gz DYCSZZAMCGZDOZ-QWRGUYRKSA-N 0 1 272.314 3.578 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1cncc(C(F)(F)F)c1 ZINC000361309993 1127555557 /nfs/dbraw/zinc/55/55/57/1127555557.db2.gz ROSQNOQCDLSTFM-WDEREUQCSA-N 0 1 272.314 3.721 20 0 CHADMN CC[C@@]1(C)CCN(Cc2cncc(C(F)(F)F)c2)C1 ZINC000361313378 1127556290 /nfs/dbraw/zinc/55/62/90/1127556290.db2.gz JYLVCKTZYIORDR-ZDUSSCGKSA-N 0 1 272.314 3.722 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1ccc2ncsc2c1 ZINC000361331197 1127557994 /nfs/dbraw/zinc/55/79/94/1127557994.db2.gz LXVGANXEBVCQER-SECBINFHSA-N 0 1 287.388 3.752 20 0 CHADMN C[C@H](C(=O)Nc1ccc(Cl)cc1F)N1[C@H](C)CC[C@@H]1C ZINC000361497159 1127567164 /nfs/dbraw/zinc/56/71/64/1127567164.db2.gz XVXMIVVBHUCJGQ-OUAUKWLOSA-N 0 1 298.789 3.679 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1nccn1-c1ccccc1 ZINC000361493284 1127567272 /nfs/dbraw/zinc/56/72/72/1127567272.db2.gz RDDOYJMDWWLOCV-HUUCEWRRSA-N 0 1 269.392 3.635 20 0 CHADMN CCc1nc(C(C)C)ccc1CN1CC=C(COC)CC1 ZINC000294375914 1127569169 /nfs/dbraw/zinc/56/91/69/1127569169.db2.gz BENWPYNUADEKEE-UHFFFAOYSA-N 0 1 288.435 3.546 20 0 CHADMN COc1ccncc1CN[C@@H]1C[C@H](C)c2c1cccc2C ZINC000294381280 1127569208 /nfs/dbraw/zinc/56/92/08/1127569208.db2.gz RLSLDPODFIOPPN-XJKSGUPXSA-N 0 1 282.387 3.737 20 0 CHADMN CC(C)CCN(C(=O)c1ccc(O)c(Cl)c1)C1CC1 ZINC000109279516 1127570263 /nfs/dbraw/zinc/57/02/63/1127570263.db2.gz UXLPLFBIVNOVMJ-UHFFFAOYSA-N 0 1 281.783 3.696 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cc2ncc(C3CC3)o2)C1 ZINC000361547703 1127570387 /nfs/dbraw/zinc/57/03/87/1127570387.db2.gz GOONLEFWFORVRN-ZDUSSCGKSA-N 0 1 262.397 3.810 20 0 CHADMN C[C@@]1(c2ccc(F)cc2)CCN(Cc2ccc(F)cn2)C1 ZINC000361647336 1127579565 /nfs/dbraw/zinc/57/95/65/1127579565.db2.gz YENAJTBJVFWHEK-QGZVFWFLSA-N 0 1 288.341 3.523 20 0 CHADMN Cc1nc2ccccn2c1CN1CCc2cc(C)ccc2C1 ZINC000361738674 1127585351 /nfs/dbraw/zinc/58/53/51/1127585351.db2.gz ZWFFRZZTDSOCCY-UHFFFAOYSA-N 0 1 291.398 3.509 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1nc2c(s1)C[C@H](C)CC2 ZINC000361747102 1127586251 /nfs/dbraw/zinc/58/62/51/1127586251.db2.gz YJDKMIXRZQAMIM-RKDXNWHRSA-N 0 1 292.370 3.698 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1nc2ccc(C)cc2[nH]1 ZINC000361804762 1127589893 /nfs/dbraw/zinc/58/98/93/1127589893.db2.gz OVNNRHGJCHGERA-CYBMUJFWSA-N 0 1 295.386 3.731 20 0 CHADMN CC(F)(F)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000294694403 1127591934 /nfs/dbraw/zinc/59/19/34/1127591934.db2.gz VUHBWBKJHCZZEO-SECBINFHSA-N 0 1 299.214 3.591 20 0 CHADMN CC/C(C)=C/C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000294721225 1127593969 /nfs/dbraw/zinc/59/39/69/1127593969.db2.gz MQPQDCWBIXDGMY-LPQFERQCSA-N 0 1 297.402 3.891 20 0 CHADMN CCn1cc([C@@H](C)NCc2cc(F)cc(Cl)c2)cn1 ZINC000294726234 1127594917 /nfs/dbraw/zinc/59/49/17/1127594917.db2.gz BFIASTKINMMSHU-SNVBAGLBSA-N 0 1 281.762 3.546 20 0 CHADMN CO[C@H]1CCN(Cc2ccccc2OC(F)F)CC1(C)C ZINC000294730540 1127595705 /nfs/dbraw/zinc/59/57/05/1127595705.db2.gz DGHRCJOUUXIHDJ-AWEZNQCLSA-N 0 1 299.361 3.535 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](CCO)c2ccccc2)o1 ZINC000361891166 1127596899 /nfs/dbraw/zinc/59/68/99/1127596899.db2.gz VJFBOWFGDILYFE-BBRMVZONSA-N 0 1 273.376 3.616 20 0 CHADMN Cc1ccc(CNCc2cccc(C(F)(F)F)n2)cc1F ZINC000294812934 1127600620 /nfs/dbraw/zinc/60/06/20/1127600620.db2.gz OBNRUOFIILVYAJ-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Cc1nn(C)cc1[C@@H]1CCCN1Cc1cc(F)ccc1C ZINC000361920914 1127599308 /nfs/dbraw/zinc/59/93/08/1127599308.db2.gz FVMJMIGYUVSROR-KRWDZBQOSA-N 0 1 287.382 3.513 20 0 CHADMN CCCC[C@H](NCc1cnns1)c1ccc(OC)cc1 ZINC000294888309 1127606039 /nfs/dbraw/zinc/60/60/39/1127606039.db2.gz CSKKGHPPYWHCLS-HNNXBMFYSA-N 0 1 291.420 3.568 20 0 CHADMN CC(C)c1nc(CNCc2ccc(C3CCCC3)cc2)n[nH]1 ZINC000294915664 1127607866 /nfs/dbraw/zinc/60/78/66/1127607866.db2.gz YHZASGNKBZVHCO-UHFFFAOYSA-N 0 1 298.434 3.876 20 0 CHADMN CC(=O)c1cccc(C[N@H+](C)C[C@@H](C)c2nccs2)c1 ZINC000294925655 1127608803 /nfs/dbraw/zinc/60/88/03/1127608803.db2.gz GYHFETIOYIBVRE-GFCCVEGCSA-N 0 1 288.416 3.581 20 0 CHADMN FCC1CCN(Cc2nc(-c3ccccc3)cs2)CC1 ZINC000294983481 1127612447 /nfs/dbraw/zinc/61/24/47/1127612447.db2.gz GSEDWYVYIBQIDN-UHFFFAOYSA-N 0 1 290.407 3.992 20 0 CHADMN CSC1CCN(Cc2cscc2Cl)CC1 ZINC000602726973 1127610148 /nfs/dbraw/zinc/61/01/48/1127610148.db2.gz UFGVAVBRUUMIQG-UHFFFAOYSA-N 0 1 261.843 3.729 20 0 CHADMN CCSc1cccc(F)c1NC(=O)c1coc(CC)n1 ZINC000362182711 1127618094 /nfs/dbraw/zinc/61/80/94/1127618094.db2.gz NPQLYSPBEJOPPW-UHFFFAOYSA-N 0 1 294.351 3.740 20 0 CHADMN C[C@@H]1C[C@@H]1[C@H](NCc1cnns1)c1ccc(Cl)cc1 ZINC000295002038 1127613666 /nfs/dbraw/zinc/61/36/66/1127613666.db2.gz OFQJCJIPNHTRAT-BIGNPOOSSA-N 0 1 293.823 3.678 20 0 CHADMN COc1ccc(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)cc1Cl ZINC000295076148 1127618825 /nfs/dbraw/zinc/61/88/25/1127618825.db2.gz RNGFYUPJNFEHHJ-OAHLLOKOSA-N 0 1 297.826 3.596 20 0 CHADMN COc1ccc(CN2CC[C@@H](OC)C(C)(C)C2)cc1Cl ZINC000295076148 1127618827 /nfs/dbraw/zinc/61/88/27/1127618827.db2.gz RNGFYUPJNFEHHJ-OAHLLOKOSA-N 0 1 297.826 3.596 20 0 CHADMN CO[C@@H]1CCN(Cc2sccc2Cl)CC1(C)C ZINC000295126413 1127621986 /nfs/dbraw/zinc/62/19/86/1127621986.db2.gz XYWDOLMXGJDVMO-GFCCVEGCSA-N 0 1 273.829 3.648 20 0 CHADMN CSC1CCN([C@@H](C)c2cc(F)ccc2F)CC1 ZINC000602921338 1127622399 /nfs/dbraw/zinc/62/23/99/1127622399.db2.gz HJVWMKOOJXBXKD-JTQLQIEISA-N 0 1 271.376 3.853 20 0 CHADMN CCC[C@H](CNCc1csc(-c2ccsc2)n1)OC ZINC000295139136 1127622658 /nfs/dbraw/zinc/62/26/58/1127622658.db2.gz POZFBERSVONJJC-CYBMUJFWSA-N 0 1 296.461 3.776 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000295145211 1127623799 /nfs/dbraw/zinc/62/37/99/1127623799.db2.gz CAWVDMJLMHVXRU-GRDNDAEWSA-N 0 1 283.419 3.796 20 0 CHADMN Cc1nocc1CN1CCCCC[C@H]1c1ccco1 ZINC000295243662 1127629928 /nfs/dbraw/zinc/62/99/28/1127629928.db2.gz FDWUMBYHGSAOMB-AWEZNQCLSA-N 0 1 260.337 3.693 20 0 CHADMN COc1ccnc(Cl)c1CN1CCC2(CCCC2)C1 ZINC001232153631 1127627261 /nfs/dbraw/zinc/62/72/61/1127627261.db2.gz USANYGWMWDSNPD-UHFFFAOYSA-N 0 1 280.799 3.510 20 0 CHADMN CC(C)c1nc(CN[C@H](C)c2cccc(C3CC3)c2)n[nH]1 ZINC000295278318 1127631363 /nfs/dbraw/zinc/63/13/63/1127631363.db2.gz CVXFJRODLOIWBA-GFCCVEGCSA-N 0 1 284.407 3.656 20 0 CHADMN Cc1nocc1CN1C[C@H](C)C[C@H]1c1ccccc1F ZINC000295274557 1127631789 /nfs/dbraw/zinc/63/17/89/1127631789.db2.gz HZPAMGRZTVLSFJ-BZNIZROVSA-N 0 1 274.339 3.705 20 0 CHADMN Cc1cnc(CN2CCCC[C@H](C)C2)c(Br)c1 ZINC001232173313 1127632117 /nfs/dbraw/zinc/63/21/17/1127632117.db2.gz QEDYXTIYJXOWEA-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN Cc1cc(C)c(CNCc2cc(F)ncc2F)c(C)c1 ZINC000295339814 1127635664 /nfs/dbraw/zinc/63/56/64/1127635664.db2.gz BHBBGJPKZOUTMY-UHFFFAOYSA-N 0 1 276.330 3.575 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cnsc2)cc1 ZINC001232227317 1127640137 /nfs/dbraw/zinc/64/01/37/1127640137.db2.gz KPZCAVBHPIQZGU-HNNXBMFYSA-N 0 1 258.390 3.789 20 0 CHADMN CC1(C)CCc2ccccc2[C@@H](NCc2cnns2)C1 ZINC000295484299 1127644901 /nfs/dbraw/zinc/64/49/01/1127644901.db2.gz YWKNJRPOTNZEBK-HNNXBMFYSA-N 0 1 287.432 3.732 20 0 CHADMN Clc1ccc(CSc2nc(C3CC3)n[nH]2)s1 ZINC000295532902 1127645248 /nfs/dbraw/zinc/64/52/48/1127645248.db2.gz HFKVJZBVNSXRLH-UHFFFAOYSA-N 0 1 271.798 3.689 20 0 CHADMN Clc1ccc(CSc2n[nH]c(C3CC3)n2)s1 ZINC000295532902 1127645250 /nfs/dbraw/zinc/64/52/50/1127645250.db2.gz HFKVJZBVNSXRLH-UHFFFAOYSA-N 0 1 271.798 3.689 20 0 CHADMN COc1cccc(CNCCO[C@H]2CCCC[C@@H]2C)c1F ZINC000669679890 1127645866 /nfs/dbraw/zinc/64/58/66/1127645866.db2.gz QDOOFGADOHQMKB-ZFWWWQNUSA-N 0 1 295.398 3.519 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cccc(OC)c1F ZINC000669684173 1127653000 /nfs/dbraw/zinc/65/30/00/1127653000.db2.gz DDZKDKNDKVSWIW-GFCCVEGCSA-N 0 1 288.366 3.643 20 0 CHADMN Cc1cnc(CNC[C@H](C)Sc2ccccc2)s1 ZINC000295812931 1127653440 /nfs/dbraw/zinc/65/34/40/1127653440.db2.gz UFKIMEVQJVYECZ-NSHDSACASA-N 0 1 278.446 3.722 20 0 CHADMN CCS[C@H]1CCCC[C@H]1NCc1csc(Cl)n1 ZINC000295826321 1127654152 /nfs/dbraw/zinc/65/41/52/1127654152.db2.gz VQPCYLORBWOEQX-MNOVXSKESA-N 0 1 290.885 3.950 20 0 CHADMN CO[C@@H]1CCN([C@H](C)c2c(F)cccc2F)CC1(C)C ZINC000295855055 1127655999 /nfs/dbraw/zinc/65/59/99/1127655999.db2.gz DUSIVPOEDPFPFG-BXUZGUMPSA-N 0 1 283.362 3.773 20 0 CHADMN CC(=O)c1ccc(CN2CCC(c3ccncc3)CC2)cc1 ZINC000295897839 1127656508 /nfs/dbraw/zinc/65/65/08/1127656508.db2.gz DXKRUNMSZRJDHB-UHFFFAOYSA-N 0 1 294.398 3.664 20 0 CHADMN COc1cccc2c1OCC[C@H]2NCc1cccc(C)c1 ZINC000603518971 1127656777 /nfs/dbraw/zinc/65/67/77/1127656777.db2.gz SLMWSFVGXZCIKZ-MRXNPFEDSA-N 0 1 283.371 3.617 20 0 CHADMN C[C@@H]1CCN(Cc2cn3ccsc3n2)[C@H]2CCCC[C@H]12 ZINC000603555519 1127658025 /nfs/dbraw/zinc/65/80/25/1127658025.db2.gz RNSTXPSAFCKAEY-YUELXQCFSA-N 0 1 289.448 3.796 20 0 CHADMN CC(=O)c1cccc(CN2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000296015476 1127660250 /nfs/dbraw/zinc/66/02/50/1127660250.db2.gz NTUHANRDMHZEHZ-ZDUSSCGKSA-N 0 1 285.309 3.664 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000296135458 1127663333 /nfs/dbraw/zinc/66/33/33/1127663333.db2.gz VYGHHLYXECSBTI-GOEBONIOSA-N 0 1 271.408 3.951 20 0 CHADMN Cc1nc(CN2CCC[C@H](c3ccncc3)C2)sc1C ZINC000296126251 1127663578 /nfs/dbraw/zinc/66/35/78/1127663578.db2.gz YTWZNWRQOUYKKA-HNNXBMFYSA-N 0 1 287.432 3.535 20 0 CHADMN CC[C@@H]1CCCC[C@H]1CN[C@@H](c1ncc[nH]1)c1cccnc1 ZINC000296304606 1127668281 /nfs/dbraw/zinc/66/82/81/1127668281.db2.gz GBLZWKKESNMHFD-HLLBOEOZSA-N 0 1 298.434 3.700 20 0 CHADMN C[C@@H](N[C@H]1CCc2nc(Cl)ccc21)c1ccns1 ZINC001118865864 1131240089 /nfs/dbraw/zinc/24/00/89/1131240089.db2.gz SKIYKXMUJCUERE-SCZZXKLOSA-N 0 1 279.796 3.530 20 0 CHADMN COc1nccc(CN[C@H](c2cccc(C)c2)C(C)(C)C)n1 ZINC000296346766 1127669664 /nfs/dbraw/zinc/66/96/64/1127669664.db2.gz IRUOBHSTFAYXLT-MRXNPFEDSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1ccnc(C(F)(F)F)c1 ZINC000296454655 1127672130 /nfs/dbraw/zinc/67/21/30/1127672130.db2.gz MXTVMCBEPBFPRY-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1ccnc(C(F)(F)F)c1 ZINC000296454645 1127672157 /nfs/dbraw/zinc/67/21/57/1127672157.db2.gz MXTVMCBEPBFPRY-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN CCN(CCSC)Cc1nc2cc(C)ccc2s1 ZINC000599451101 1127672183 /nfs/dbraw/zinc/67/21/83/1127672183.db2.gz AQZDWSYMVLGXJL-UHFFFAOYSA-N 0 1 280.462 3.790 20 0 CHADMN CC[N@@H+](CC(=O)Nc1c(F)cccc1F)[C@@H](C)CC(C)C ZINC000296546928 1127675413 /nfs/dbraw/zinc/67/54/13/1127675413.db2.gz OHSMMTFNBIIODQ-LBPRGKRZSA-N 0 1 298.377 3.660 20 0 CHADMN CC(C)[C@@H]1CCc2ccccc2[C@H]1N[C@H]1CCn2ccnc21 ZINC000296615172 1127678654 /nfs/dbraw/zinc/67/86/54/1127678654.db2.gz YTUKCAPUKIVJLW-SZMVWBNQSA-N 0 1 295.430 3.877 20 0 CHADMN c1cc2cc(N[C@@H]3CCCC34CCOCC4)ccc2cn1 ZINC000296682390 1127681717 /nfs/dbraw/zinc/68/17/17/1127681717.db2.gz ZUBIWKPHJDVVCF-QGZVFWFLSA-N 0 1 282.387 3.996 20 0 CHADMN Cc1nc2cc(N[C@H]3CCC34CCC4)ccc2n1C ZINC000669703636 1127682131 /nfs/dbraw/zinc/68/21/31/1127682131.db2.gz DHXPISGBIYFSMR-HNNXBMFYSA-N 0 1 255.365 3.626 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)cs1 ZINC000296760043 1127682367 /nfs/dbraw/zinc/68/23/67/1127682367.db2.gz KBWPHMNNHLFWAO-GHMZBOCLSA-N 0 1 278.425 3.710 20 0 CHADMN Cc1cc([C@@H](C)NCCCCc2ccccc2)no1 ZINC000669705221 1127683167 /nfs/dbraw/zinc/68/31/67/1127683167.db2.gz CJYBJYDUSOLFEN-CQSZACIVSA-N 0 1 258.365 3.657 20 0 CHADMN CC(C)=CCC[C@@H](C)NC(=O)c1sccc1CN(C)C ZINC000296766844 1127683469 /nfs/dbraw/zinc/68/34/69/1127683469.db2.gz CSDIMKHJSIDLMW-CYBMUJFWSA-N 0 1 294.464 3.674 20 0 CHADMN Cc1cnc(C[N@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)o1 ZINC000296875030 1127684708 /nfs/dbraw/zinc/68/47/08/1127684708.db2.gz UUBAFWCMKHQSBE-XNRPHZJLSA-N 0 1 270.376 3.750 20 0 CHADMN CSc1ccccc1CN(C)Cc1ccncc1C ZINC000296992536 1127687455 /nfs/dbraw/zinc/68/74/55/1127687455.db2.gz VVOVSECXCDXYPP-UHFFFAOYSA-N 0 1 272.417 3.744 20 0 CHADMN CCc1cc(=O)n([C@@H](C)c2ccc(C(F)(F)F)cc2)[nH]1 ZINC001245916793 1131240271 /nfs/dbraw/zinc/24/02/71/1131240271.db2.gz BPUVCYRFZNSZKU-VIFPVBQESA-N 0 1 284.281 3.779 20 0 CHADMN CCCN(Cc1cccc(OC)c1F)C[C@@H]1CCCCO1 ZINC000669708240 1127691153 /nfs/dbraw/zinc/69/11/53/1127691153.db2.gz ZOOIDWGDVUQRMK-HNNXBMFYSA-N 0 1 295.398 3.615 20 0 CHADMN CSc1cccc(NCc2[nH]nc3ccccc32)c1 ZINC000604064163 1127691455 /nfs/dbraw/zinc/69/14/55/1127691455.db2.gz ACEBPUOWZOTSSE-UHFFFAOYSA-N 0 1 269.373 3.897 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](Cc2cn3ccccc3n2)CC1 ZINC000604055140 1127691613 /nfs/dbraw/zinc/69/16/13/1127691613.db2.gz LMDNVDKLJGNHJT-OAHLLOKOSA-N 0 1 271.408 3.592 20 0 CHADMN C[C@H](CSc1ccccc1)N(C)Cc1ccnc(F)c1 ZINC001118885692 1131240343 /nfs/dbraw/zinc/24/03/43/1131240343.db2.gz OXQRRCTWBQJEHO-CYBMUJFWSA-N 0 1 290.407 3.833 20 0 CHADMN CCOc1ccccc1[C@H](CC)N[C@@H](C)c1cn[nH]c1 ZINC000297537875 1127699416 /nfs/dbraw/zinc/69/94/16/1127699416.db2.gz DWZZWCQSRCMIBD-WFASDCNBSA-N 0 1 273.380 3.610 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H]2C[C@H](C)n3ccnc32)c1C ZINC000297526662 1127698574 /nfs/dbraw/zinc/69/85/74/1127698574.db2.gz DHUHMNGGXPBRPW-DUVNUKRYSA-N 0 1 269.392 3.857 20 0 CHADMN C[C@@H](N[C@@H]1CCn2ccnc21)c1cc2ccccc2s1 ZINC000297581193 1127700788 /nfs/dbraw/zinc/70/07/88/1127700788.db2.gz HDOFHCOCJGWNIQ-DGCLKSJQSA-N 0 1 283.400 3.893 20 0 CHADMN CC(C)n1cc(CN(C)[C@@H]2CCC[C@@H]2c2ccccc2)nn1 ZINC000297595029 1127700875 /nfs/dbraw/zinc/70/08/75/1127700875.db2.gz TWSMKJYYHYULCI-QZTJIDSGSA-N 0 1 298.434 3.627 20 0 CHADMN Cc1c2ccccc2oc1CNCc1n[nH]c2ccccc12 ZINC000604416721 1127704728 /nfs/dbraw/zinc/70/47/28/1127704728.db2.gz BBJDRZLJQIOIRT-UHFFFAOYSA-N 0 1 291.354 3.907 20 0 CHADMN Cc1c2ccccc2oc1CNCc1[nH]nc2ccccc21 ZINC000604416721 1127704733 /nfs/dbraw/zinc/70/47/33/1127704733.db2.gz BBJDRZLJQIOIRT-UHFFFAOYSA-N 0 1 291.354 3.907 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H](CCC(C)C)C(C)(C)C)c1C ZINC000604363912 1127702199 /nfs/dbraw/zinc/70/21/99/1127702199.db2.gz FWGAVVQGDMKMKD-CYBMUJFWSA-N 0 1 279.428 3.607 20 0 CHADMN CC(C)(N[C@H]1CCC[C@H](c2cccnc2)C1)C(F)F ZINC000669713689 1127702233 /nfs/dbraw/zinc/70/22/33/1127702233.db2.gz VXAWMXHAQFXLAT-AAEUAGOBSA-N 0 1 268.351 3.741 20 0 CHADMN Cc1nnc([C@@H](C)NC2CC(C)(c3ccccc3)C2)s1 ZINC000297645967 1127703105 /nfs/dbraw/zinc/70/31/05/1127703105.db2.gz MYIULUPLCOIFOJ-OLQXHTCTSA-N 0 1 287.432 3.617 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H](C)CCC2CCCCC2)c1C ZINC000604348065 1127703372 /nfs/dbraw/zinc/70/33/72/1127703372.db2.gz RYOJWJUELFKCJJ-LLVKDONJSA-N 0 1 277.412 3.505 20 0 CHADMN CC(C)[C@@H](NCc1cn[nH]c1)c1ccccc1Cl ZINC000604416937 1127705218 /nfs/dbraw/zinc/70/52/18/1127705218.db2.gz QWXBJDBOFYFDOE-CQSZACIVSA-N 0 1 263.772 3.550 20 0 CHADMN COc1cc(CN[C@@H]2CCOc3c(C)cccc32)ccc1C ZINC000364598540 1127706636 /nfs/dbraw/zinc/70/66/36/1127706636.db2.gz CFUCIAYIBDBKBO-QGZVFWFLSA-N 0 1 297.398 3.925 20 0 CHADMN CC[C@H](C)Oc1cc(C)ccc1CN[C@@H](C)c1cn[nH]c1 ZINC000297826125 1127709644 /nfs/dbraw/zinc/70/96/44/1127709644.db2.gz RONAWIHCDABLJQ-KBPBESRZSA-N 0 1 287.407 3.746 20 0 CHADMN CCSc1cccc(F)c1NC(=O)c1nc(C)oc1C ZINC000297898820 1127711559 /nfs/dbraw/zinc/71/15/59/1127711559.db2.gz WBWQGXQPMOJJFY-UHFFFAOYSA-N 0 1 294.351 3.795 20 0 CHADMN CCC[C@@H](N)c1cc(-c2ccccc2OCC)no1 ZINC000229871671 1127712085 /nfs/dbraw/zinc/71/20/85/1127712085.db2.gz HMCBRAPAVRUXDE-GFCCVEGCSA-N 0 1 260.337 3.540 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2ccc(F)cc2)n1 ZINC000298078476 1127714014 /nfs/dbraw/zinc/71/40/14/1127714014.db2.gz DLNRIEWXKPEPKL-UHFFFAOYSA-N 0 1 265.357 3.534 20 0 CHADMN CC(C)(C)c1nc(SCc2ccc(F)cc2)n[nH]1 ZINC000298078476 1127714018 /nfs/dbraw/zinc/71/40/18/1127714018.db2.gz DLNRIEWXKPEPKL-UHFFFAOYSA-N 0 1 265.357 3.534 20 0 CHADMN CCOc1cc(CN2CCC[C@@H]2c2ccncc2)ccc1O ZINC000298120734 1127714598 /nfs/dbraw/zinc/71/45/98/1127714598.db2.gz PHDFUKQIPJOUSW-MRXNPFEDSA-N 0 1 298.386 3.523 20 0 CHADMN CC(C)[C@H]1CCCN1c1ccnc2cc(F)ccc21 ZINC000604758663 1127715852 /nfs/dbraw/zinc/71/58/52/1127715852.db2.gz PVDCDOUOEIHVIU-OAHLLOKOSA-N 0 1 258.340 3.999 20 0 CHADMN C[C@H](CSc1nc(-c2cccnc2)n[nH]1)c1ccccc1 ZINC000604839746 1127717411 /nfs/dbraw/zinc/71/74/11/1127717411.db2.gz IOQXTWBOCQIAGX-GFCCVEGCSA-N 0 1 296.399 3.763 20 0 CHADMN CC(C)c1nc(CN2CC(C)(C)[C@@H]2c2cccs2)n[nH]1 ZINC000298268527 1127717474 /nfs/dbraw/zinc/71/74/74/1127717474.db2.gz NMJCIDNTSPMWHR-ZDUSSCGKSA-N 0 1 290.436 3.573 20 0 CHADMN CC(C)n1ccc(CN2CCC[C@H](Cc3ccccc3)C2)n1 ZINC000604885513 1127720421 /nfs/dbraw/zinc/72/04/21/1127720421.db2.gz WQFANRGOFOFDQN-GOSISDBHSA-N 0 1 297.446 3.919 20 0 CHADMN Cc1ccc(C)c(CSc2nc(-c3ccccn3)n[nH]2)c1 ZINC000604933243 1127721347 /nfs/dbraw/zinc/72/13/47/1127721347.db2.gz PYLJSHJOWNDLHQ-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN Cn1ccnc1[C@H](NC[C@H]1CC=CCC1)c1ccc(F)cc1 ZINC000298414163 1127722817 /nfs/dbraw/zinc/72/28/17/1127722817.db2.gz NWAYPJPSLFABQL-WMLDXEAASA-N 0 1 299.393 3.595 20 0 CHADMN CC[C@@H]1CCCN(CC(=O)Nc2ccc(C)cc2F)CC1 ZINC000604998833 1127724668 /nfs/dbraw/zinc/72/46/68/1127724668.db2.gz GIPFZVXTTRSFID-CQSZACIVSA-N 0 1 292.398 3.585 20 0 CHADMN CC[C@@H]1CCCN(Cc2nc(CCC(C)C)no2)CC1 ZINC000604998905 1127724691 /nfs/dbraw/zinc/72/46/91/1127724691.db2.gz PIFXUQACUFIIBH-CQSZACIVSA-N 0 1 279.428 3.670 20 0 CHADMN CC[C@@H]1CCCN(CC(=O)Nc2cc(C)ccc2C)CC1 ZINC000604999050 1127724728 /nfs/dbraw/zinc/72/47/28/1127724728.db2.gz HLGXXFMJUGFWNR-MRXNPFEDSA-N 0 1 288.435 3.754 20 0 CHADMN Cc1cc(-c2noc([C@H](C)N[C@H](C)C3CC3)n2)ccc1F ZINC000298857112 1127734677 /nfs/dbraw/zinc/73/46/77/1127734677.db2.gz FQVMYSSSPOENLM-MNOVXSKESA-N 0 1 289.354 3.633 20 0 CHADMN Cc1cc(-c2noc([C@H](C)NC3CCCC3)n2)ccc1F ZINC000298888259 1127736437 /nfs/dbraw/zinc/73/64/37/1127736437.db2.gz UAXGHTVFDUQDON-NSHDSACASA-N 0 1 289.354 3.777 20 0 CHADMN CN1Cc2ccccc2[C@@H](NCc2sccc2Cl)C1 ZINC000365954210 1127741410 /nfs/dbraw/zinc/74/14/10/1127741410.db2.gz KOMWUYBURPSUHC-AWEZNQCLSA-N 0 1 292.835 3.678 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1ccsc1 ZINC000605524526 1127741650 /nfs/dbraw/zinc/74/16/50/1127741650.db2.gz NRSONWYVXFYKDN-UHFFFAOYSA-N 0 1 283.356 3.699 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c1 ZINC000605522604 1127741816 /nfs/dbraw/zinc/74/18/16/1127741816.db2.gz JOMXMDOTXCWTLH-DVOMOZLQSA-N 0 1 297.402 3.665 20 0 CHADMN CCCC[C@H](COC)Nc1ccnc2cc(F)ccc21 ZINC000605572079 1127743293 /nfs/dbraw/zinc/74/32/93/1127743293.db2.gz QDTJLBNPJPXXDO-CYBMUJFWSA-N 0 1 276.355 3.991 20 0 CHADMN C[C@H](C(=O)Nc1cccc(Cl)c1O)C(C)(C)C ZINC000605888108 1127747731 /nfs/dbraw/zinc/74/77/31/1127747731.db2.gz KWZPTAOJCYDSCZ-MRVPVSSYSA-N 0 1 255.745 3.666 20 0 CHADMN CC(C)OC[C@@H](C)N[C@H](c1ccco1)c1ccccc1 ZINC000367042843 1127749407 /nfs/dbraw/zinc/74/94/07/1127749407.db2.gz KZTXMPXAGKHJEZ-PBHICJAKSA-N 0 1 273.376 3.772 20 0 CHADMN CC(C)[C@H](C)N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000368356865 1127758000 /nfs/dbraw/zinc/75/80/00/1127758000.db2.gz FWTDRHXFLLUXOJ-LRDDRELGSA-N 0 1 291.826 3.797 20 0 CHADMN CCC1(CN[C@@H](c2ccccn2)c2ccccc2OC)CC1 ZINC000925499515 1127759941 /nfs/dbraw/zinc/75/99/41/1127759941.db2.gz ZXXZQKPGUJXTBR-GOSISDBHSA-N 0 1 296.414 3.959 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1Cc1nc(C(C)(C)C)no1 ZINC000606433989 1127762409 /nfs/dbraw/zinc/76/24/09/1127762409.db2.gz GDTLHENQVHIUER-CHWSQXEVSA-N 0 1 279.428 3.768 20 0 CHADMN c1c(CN2[C@H]3C=CC[C@@H]2CC3)onc1-c1ccccc1 ZINC000370944096 1127763587 /nfs/dbraw/zinc/76/35/87/1127763587.db2.gz FAMJZNUTFPTYJB-LSDHHAIUSA-N 0 1 266.344 3.635 20 0 CHADMN CCn1ccnc1CNC1(c2ccccc2)CCCCC1 ZINC000606470139 1127764856 /nfs/dbraw/zinc/76/48/56/1127764856.db2.gz CLLWPRQMLIIMMF-UHFFFAOYSA-N 0 1 283.419 3.852 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cn2cccnc2=S)CC1 ZINC000172508928 1127767568 /nfs/dbraw/zinc/76/75/68/1127767568.db2.gz LTPDOQSTYFHHOE-ZDUSSCGKSA-N 0 1 279.453 3.718 20 0 CHADMN CCO[C@H](C)c1nc(CN2CC[C@H](C(C)C)C2)cs1 ZINC000409445723 1127767628 /nfs/dbraw/zinc/76/76/28/1127767628.db2.gz QOBWIEATMYEZGF-OLZOCXBDSA-N 0 1 282.453 3.719 20 0 CHADMN CC(C)n1ccnc1CN1CC[C@](C)(c2ccccc2)C1 ZINC000371896659 1127783517 /nfs/dbraw/zinc/78/35/17/1127783517.db2.gz YZBONWIQOOKMBI-SFHVURJKSA-N 0 1 283.419 3.628 20 0 CHADMN CC(C)C[C@@H](C)C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000372003322 1127785169 /nfs/dbraw/zinc/78/51/69/1127785169.db2.gz MZTCJUJANKNLRI-CYBMUJFWSA-N 0 1 286.419 3.785 20 0 CHADMN Cc1ccncc1CN1CCC[C@H]1c1cccc(F)c1 ZINC000372192240 1127791548 /nfs/dbraw/zinc/79/15/48/1127791548.db2.gz MGIDHLLQSQDRAL-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN O=C1C[C@H](c2ccccc2)N1CN1CCC2(C1)CCCCC2 ZINC000172937654 1127796300 /nfs/dbraw/zinc/79/63/00/1127796300.db2.gz LVVGZYRUMBJLFK-QGZVFWFLSA-N 0 1 298.430 3.574 20 0 CHADMN Cc1ccccc1CN[C@@H]1CCOc2c(F)cccc21 ZINC000372599429 1127807260 /nfs/dbraw/zinc/80/72/60/1127807260.db2.gz KULQYYLZWOCFMN-MRXNPFEDSA-N 0 1 271.335 3.748 20 0 CHADMN Cc1nn(C)cc1[C@@H]1CCCN1Cc1cccc(Cl)c1 ZINC000372737887 1127810681 /nfs/dbraw/zinc/81/06/81/1127810681.db2.gz FVPNBRIYACTJOA-INIZCTEOSA-N 0 1 289.810 3.719 20 0 CHADMN S=c1[nH]ccn1C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000173312217 1127819123 /nfs/dbraw/zinc/81/91/23/1127819123.db2.gz HIBOJIBBCZZZLB-OAHLLOKOSA-N 0 1 287.432 3.600 20 0 CHADMN COc1cc(C)c(C)cc1CN(C)Cc1cccc(O)c1 ZINC001238760411 1131241060 /nfs/dbraw/zinc/24/10/60/1131241060.db2.gz SQZUPPAKNXTSPY-UHFFFAOYSA-N 0 1 285.387 3.650 20 0 CHADMN COc1ncc(CN2C[C@@H](C)CC(C)(C)C2)cc1Cl ZINC001168423440 1127815983 /nfs/dbraw/zinc/81/59/83/1127815983.db2.gz KIYWAIXXPDCMKK-NSHDSACASA-N 0 1 282.815 3.612 20 0 CHADMN C[C@H]1CCC[C@H](C)N(Cc2ncc(C(C)(C)C)o2)C1 ZINC000607742814 1127822782 /nfs/dbraw/zinc/82/27/82/1127822782.db2.gz PLQILJODORURJM-STQMWFEESA-N 0 1 264.413 3.983 20 0 CHADMN CC(C)CCc1noc(CN2CCC3(C2)CCCCC3)n1 ZINC000607752476 1127823608 /nfs/dbraw/zinc/82/36/08/1127823608.db2.gz DVKHYCGASWCLLA-UHFFFAOYSA-N 0 1 291.439 3.814 20 0 CHADMN CC[C@@H](C)[C@H](C)C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000373256937 1127830868 /nfs/dbraw/zinc/83/08/68/1127830868.db2.gz CKTHQYKOKSFLKJ-OLZOCXBDSA-N 0 1 286.419 3.785 20 0 CHADMN C(=C/[C@@H]1CCCN1Cc1cncs1)\c1ccccc1 ZINC000373303200 1127832987 /nfs/dbraw/zinc/83/29/87/1127832987.db2.gz OXWLLALRBYRDTB-HVHJFMEUSA-N 0 1 270.401 3.821 20 0 CHADMN COCc1ccc([C@@H]2CCCN2CCC(F)(F)F)o1 ZINC000373354200 1127836077 /nfs/dbraw/zinc/83/60/77/1127836077.db2.gz NJMVOIFFWJEVKR-NSHDSACASA-N 0 1 277.286 3.515 20 0 CHADMN CC[C@H](C)[C@@H](NCc1cc[nH]n1)c1ccc(Cl)cc1 ZINC000608062113 1127842481 /nfs/dbraw/zinc/84/24/81/1127842481.db2.gz QZSFZQZUKRTLKF-XHDPSFHLSA-N 0 1 277.799 3.940 20 0 CHADMN CCC[C@H](C)N(C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411158239 1127844530 /nfs/dbraw/zinc/84/45/30/1127844530.db2.gz FHBHMUNIGVJZPV-JTQLQIEISA-N 0 1 293.798 3.609 20 0 CHADMN Cc1nc([C@H](C)N(C)Cc2c(Cl)cccc2Cl)n[nH]1 ZINC000411196273 1127846770 /nfs/dbraw/zinc/84/67/70/1127846770.db2.gz BGMUCEBDKUUVBZ-QMMMGPOBSA-N 0 1 299.205 3.613 20 0 CHADMN CC[C@H](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000608144946 1127851105 /nfs/dbraw/zinc/85/11/05/1127851105.db2.gz AJEIUSFZWMBWCH-YQQAZPJKSA-N 0 1 290.451 3.620 20 0 CHADMN CC(C)[C@H](N)c1cc(-c2ccc(Cl)cc2)no1 ZINC000075753292 1127853263 /nfs/dbraw/zinc/85/32/63/1127853263.db2.gz JCJZMOGRDPIBIL-ZDUSSCGKSA-N 0 1 250.729 3.651 20 0 CHADMN CN(C)c1cccc([C@@H]2CCCN2Cc2ccc(F)cn2)c1 ZINC000373731373 1127859969 /nfs/dbraw/zinc/85/99/69/1127859969.db2.gz ZJHOFOGYHYXSJL-SFHVURJKSA-N 0 1 299.393 3.624 20 0 CHADMN CC[C@@H](NCCOc1c(C)cccc1C)c1nccs1 ZINC000411520516 1127864212 /nfs/dbraw/zinc/86/42/12/1127864212.db2.gz WFBDSHKTLBJYFW-CQSZACIVSA-N 0 1 290.432 3.880 20 0 CHADMN Cc1ccccc1-c1noc(C[N@H+]2CCC[C@H]3CCC[C@H]32)n1 ZINC000608498461 1127869558 /nfs/dbraw/zinc/86/95/58/1127869558.db2.gz KFRYXJBQEWEALG-GDBMZVCRSA-N 0 1 297.402 3.810 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCC[C@H]3CCC[C@H]32)n1 ZINC000608498461 1127869564 /nfs/dbraw/zinc/86/95/64/1127869564.db2.gz KFRYXJBQEWEALG-GDBMZVCRSA-N 0 1 297.402 3.810 20 0 CHADMN Cc1ccccc1-c1noc(CN2C[C@@H](C)CC[C@H]2C)n1 ZINC000608511193 1127874476 /nfs/dbraw/zinc/87/44/76/1127874476.db2.gz DZKJJROARUGYFK-GXTWGEPZSA-N 0 1 285.391 3.665 20 0 CHADMN CCc1ccc([C@H]2CCC[N@H+]([C@@H](C)c3nnc(C)[nH]3)C2)cc1 ZINC000411721479 1127871515 /nfs/dbraw/zinc/87/15/15/1127871515.db2.gz IJEQFYBHGOWGOY-GUYCJALGSA-N 0 1 298.434 3.616 20 0 CHADMN CCc1ccc([C@H]2CCCN([C@@H](C)c3nnc(C)[nH]3)C2)cc1 ZINC000411721479 1127871519 /nfs/dbraw/zinc/87/15/19/1127871519.db2.gz IJEQFYBHGOWGOY-GUYCJALGSA-N 0 1 298.434 3.616 20 0 CHADMN Cc1ccc(-c2noc(CN3CCC[C@H]4CCC[C@H]43)n2)cc1 ZINC000608498509 1127872160 /nfs/dbraw/zinc/87/21/60/1127872160.db2.gz ZLISJOOYWIZBQX-GDBMZVCRSA-N 0 1 297.402 3.810 20 0 CHADMN C[C@H]1CN(Cc2ccccc2OC(F)F)C[C@H](C)S1 ZINC000608502165 1127872642 /nfs/dbraw/zinc/87/26/42/1127872642.db2.gz FEMOOVPOLAFAFA-QWRGUYRKSA-N 0 1 287.375 3.614 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2noc3c2CCCC3)C1 ZINC000608510851 1127874232 /nfs/dbraw/zinc/87/42/32/1127874232.db2.gz MXPCJBWKJGESCU-QGZVFWFLSA-N 0 1 276.424 3.956 20 0 CHADMN CC[C@H](NCc1ccn(CC(F)(F)F)n1)c1ccccc1 ZINC000411882832 1127878192 /nfs/dbraw/zinc/87/81/92/1127878192.db2.gz BFHXZVOKDFSMRK-AWEZNQCLSA-N 0 1 297.324 3.686 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N(C)C[C@@H]1CCCCO1 ZINC000608756673 1127887376 /nfs/dbraw/zinc/88/73/76/1127887376.db2.gz KVAGGRILIHIGOH-XJKSGUPXSA-N 0 1 283.362 3.917 20 0 CHADMN Brc1ccccc1CNc1nccn1C1CC1 ZINC000232452875 1127889655 /nfs/dbraw/zinc/88/96/55/1127889655.db2.gz OCSXRSSOPBCUKM-UHFFFAOYSA-N 0 1 292.180 3.593 20 0 CHADMN C[C@@H](CN[C@H](C)c1csnn1)c1cccc(Cl)c1 ZINC000412048351 1127893864 /nfs/dbraw/zinc/89/38/64/1127893864.db2.gz XIRUGXRGGKZTCX-VHSXEESVSA-N 0 1 281.812 3.646 20 0 CHADMN CCC[C@H](C)N(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000535373734 1127913880 /nfs/dbraw/zinc/91/38/80/1127913880.db2.gz VZRJQMLGPHWONN-LBPRGKRZSA-N 0 1 277.412 3.718 20 0 CHADMN Clc1ccc([C@@H](NC2CCC2)c2ccccn2)cc1 ZINC000925376834 1127917223 /nfs/dbraw/zinc/91/72/23/1127917223.db2.gz NVVSSBGGMHVMDT-MRXNPFEDSA-N 0 1 272.779 3.967 20 0 CHADMN Brc1cccc2[nH]cc(CN3CCCC3)c21 ZINC000219014293 1127917633 /nfs/dbraw/zinc/91/76/33/1127917633.db2.gz PMLIBBPJNCMHRA-UHFFFAOYSA-N 0 1 279.181 3.526 20 0 CHADMN CSCCN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000535552749 1127918890 /nfs/dbraw/zinc/91/88/90/1127918890.db2.gz GKSSSTYVJFRNDL-CQSZACIVSA-N 0 1 271.376 3.855 20 0 CHADMN C[C@@H](NCc1cnc([C@@H]2CCCO2)s1)c1ccsc1 ZINC000669830958 1127930305 /nfs/dbraw/zinc/93/03/05/1127930305.db2.gz FJGJBJGEFSQKFA-MFKMUULPSA-N 0 1 294.445 3.907 20 0 CHADMN Cc1nc([C@H](C)SCc2ccc(Cl)cc2)n[nH]1 ZINC000412974864 1127934191 /nfs/dbraw/zinc/93/41/91/1127934191.db2.gz DKTHTHDIUYDLFU-QMMMGPOBSA-N 0 1 267.785 3.761 20 0 CHADMN CC(=O)[C@@H](C)SCc1cccc(CN2CCCCC2)c1 ZINC000413000072 1127937257 /nfs/dbraw/zinc/93/72/57/1127937257.db2.gz OCKWXPPINNIRQB-OAHLLOKOSA-N 0 1 291.460 3.883 20 0 CHADMN COc1cc(Br)cc(CN2CCCC2(C)C)c1 ZINC001233213099 1127937487 /nfs/dbraw/zinc/93/74/87/1127937487.db2.gz LFOKRWRFXATXQF-UHFFFAOYSA-N 0 1 298.224 3.832 20 0 CHADMN CCC[C@@H](O)CSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000413005961 1127938480 /nfs/dbraw/zinc/93/84/80/1127938480.db2.gz NPMRBSLVZTWGNW-CYBMUJFWSA-N 0 1 276.405 3.638 20 0 CHADMN Cc1nc([C@@H](C)SC(C)(C)c2ccccc2)n[nH]1 ZINC000413004073 1127938938 /nfs/dbraw/zinc/93/89/38/1127938938.db2.gz JVICSJUVJCHMCO-SNVBAGLBSA-N 0 1 261.394 3.843 20 0 CHADMN Fc1ccc(CN2CCC(c3ccsc3)CC2)cn1 ZINC000375298927 1127940784 /nfs/dbraw/zinc/94/07/84/1127940784.db2.gz XVHRQRVSRNTBLK-UHFFFAOYSA-N 0 1 276.380 3.662 20 0 CHADMN COc1cccc(Cl)c1CN(C)[C@@H](C)CCSC ZINC000539817067 1127942303 /nfs/dbraw/zinc/94/23/03/1127942303.db2.gz IUHILLSLCLEWCE-NSHDSACASA-N 0 1 287.856 3.922 20 0 CHADMN CCCOc1ccc(CN2CCOC3(CCCC3)C2)cc1 ZINC000539819639 1127942414 /nfs/dbraw/zinc/94/24/14/1127942414.db2.gz OGTHUSOHARGMKE-UHFFFAOYSA-N 0 1 289.419 3.620 20 0 CHADMN Cc1ccccc1[C@@H](C(C)C)N(C)Cc1ccn(C)n1 ZINC000539830860 1127945071 /nfs/dbraw/zinc/94/50/71/1127945071.db2.gz ZEPSSMCBOHNXBP-QGZVFWFLSA-N 0 1 271.408 3.558 20 0 CHADMN Cc1ccc([C@H]2COCCN2CC2CCCCC2)o1 ZINC000539835279 1127946356 /nfs/dbraw/zinc/94/63/56/1127946356.db2.gz XXYRLXBJVUYFEH-OAHLLOKOSA-N 0 1 263.381 3.542 20 0 CHADMN CC(C)n1ccc(CN2CC(C)(C)CC(C)(C)C2)n1 ZINC000466928872 1127950689 /nfs/dbraw/zinc/95/06/89/1127950689.db2.gz JSMGJRWORXYQHO-UHFFFAOYSA-N 0 1 263.429 3.722 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cc3cccnc3s2)C1 ZINC001233346202 1127953505 /nfs/dbraw/zinc/95/35/05/1127953505.db2.gz VFBXJSDXRXRNSH-CQSZACIVSA-N 0 1 264.369 3.620 20 0 CHADMN C[C@@H](N[C@@H]1COc2ccc(F)cc21)c1ccccc1 ZINC000467003459 1127953513 /nfs/dbraw/zinc/95/35/13/1127953513.db2.gz PHFAMHXOYJUYKT-IAQYHMDHSA-N 0 1 257.308 3.610 20 0 CHADMN C[C@H](Cc1ccsc1)N1CCO[C@H](c2cccs2)C1 ZINC000544007221 1127954851 /nfs/dbraw/zinc/95/48/51/1127954851.db2.gz MCNPDLDLZJUNFG-OCCSQVGLSA-N 0 1 293.457 3.814 20 0 CHADMN c1csc(-c2nc(CNC[C@@H]3CCC=CO3)cs2)c1 ZINC000780571467 1127955284 /nfs/dbraw/zinc/95/52/84/1127955284.db2.gz ZJSXKMAYNGCOAY-LBPRGKRZSA-N 0 1 292.429 3.654 20 0 CHADMN COC[C@H]1CCCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000467121368 1127955894 /nfs/dbraw/zinc/95/58/94/1127955894.db2.gz XFRJJFQUWYYMHA-NSHDSACASA-N 0 1 273.829 3.650 20 0 CHADMN COCC[N@@H+](Cc1ccc(C)s1)Cc1ccccc1 ZINC000505563638 1127957054 /nfs/dbraw/zinc/95/70/54/1127957054.db2.gz HSJHOHGAVQTXBZ-UHFFFAOYSA-N 0 1 275.417 3.705 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2nc(Cc3ccccc3)no2)C1 ZINC000544191477 1127963355 /nfs/dbraw/zinc/96/33/55/1127963355.db2.gz YRVQCBHULFWENW-OAHLLOKOSA-N 0 1 299.418 3.528 20 0 CHADMN CO[C@@H](CN1CCCC[C@H]1c1ncc[nH]1)C1CCCCC1 ZINC000660008357 1127968350 /nfs/dbraw/zinc/96/83/50/1127968350.db2.gz XLHXDSPRTDKXOX-HOTGVXAUSA-N 0 1 291.439 3.532 20 0 CHADMN CCC[C@H]1CCCCN1Cc1csc(CC)n1 ZINC000544529519 1127976665 /nfs/dbraw/zinc/97/66/65/1127976665.db2.gz HOXMNTLXHMAELW-ZDUSSCGKSA-N 0 1 252.427 3.860 20 0 CHADMN C[C@H](CN[C@H](C)c1ccc(F)cc1F)C(F)(F)F ZINC000540387035 1127976826 /nfs/dbraw/zinc/97/68/26/1127976826.db2.gz ZUWAUGNFFWQMPA-HTQZYQBOSA-N 0 1 267.241 3.814 20 0 CHADMN COc1cc(CN[C@H](c2ccc(C)o2)C2CCC2)ccn1 ZINC000544578896 1127977600 /nfs/dbraw/zinc/97/76/00/1127977600.db2.gz IDEWEYDWECCEBF-KRWDZBQOSA-N 0 1 286.375 3.623 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1ccnc2ccccc12 ZINC000544599151 1127977942 /nfs/dbraw/zinc/97/79/42/1127977942.db2.gz UQQULJGWRVSLOV-AWEZNQCLSA-N 0 1 277.371 3.823 20 0 CHADMN C[C@@H](N[C@@H](C)Cc1ccc(C(F)(F)F)cc1)c1ccon1 ZINC000544602698 1127978195 /nfs/dbraw/zinc/97/81/95/1127978195.db2.gz AUYBQKHNODZKPM-WDEREUQCSA-N 0 1 298.308 3.975 20 0 CHADMN CC[C@@]1(C)CCN(Cc2nc(-c3cccc(C)c3)no2)C1 ZINC000468145409 1127994763 /nfs/dbraw/zinc/99/47/63/1127994763.db2.gz MOMOGDJUGHSTEC-KRWDZBQOSA-N 0 1 285.391 3.667 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cc(OC)cc(C)n2)cc1 ZINC000540765846 1127994661 /nfs/dbraw/zinc/99/46/61/1127994661.db2.gz JZZLSMPXMSMBRT-UHFFFAOYSA-N 0 1 298.430 3.986 20 0 CHADMN CCn1ncc2ccc(NCc3ccc4nc[nH]c4c3)cc21 ZINC000540808951 1127996108 /nfs/dbraw/zinc/99/61/08/1127996108.db2.gz NOBIKXLIFSFQHU-UHFFFAOYSA-N 0 1 291.358 3.545 20 0 CHADMN CC(C)CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000541085675 1128007570 /nfs/dbraw/zinc/00/75/70/1128007570.db2.gz KYQSWKBAYZFKEU-AWEZNQCLSA-N 0 1 287.325 3.735 20 0 CHADMN CC(C)c1ccc(NC(=O)[C@H]2C[C@@H](C)Cc3cn[nH]c32)cc1 ZINC000646581391 1128008093 /nfs/dbraw/zinc/00/80/93/1128008093.db2.gz HTTKANQHBQHMAT-LRDDRELGSA-N 0 1 297.402 3.838 20 0 CHADMN Clc1ccc2nc(SCC[C@H]3CCCO3)[nH]c2c1 ZINC000468440969 1128008484 /nfs/dbraw/zinc/00/84/84/1128008484.db2.gz ZDFCGBHCNUTHBM-SNVBAGLBSA-N 0 1 282.796 3.878 20 0 CHADMN Cc1ccc2nc(SCc3ccc(F)cn3)[nH]c2c1 ZINC000468484817 1128010292 /nfs/dbraw/zinc/01/02/92/1128010292.db2.gz ULPSGBNNSZDVAY-UHFFFAOYSA-N 0 1 273.336 3.698 20 0 CHADMN CCc1ncc(CN2CCS[C@@H](c3ccccc3)C2)o1 ZINC000929670162 1128012155 /nfs/dbraw/zinc/01/21/55/1128012155.db2.gz QQSZMTNDBRSCKB-OAHLLOKOSA-N 0 1 288.416 3.527 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2C[C@@H](C)C[C@@H]2C)s1 ZINC000545394761 1128012967 /nfs/dbraw/zinc/01/29/67/1128012967.db2.gz GYYBJBLMWHHZHF-YUMQZZPRSA-N 0 1 278.343 3.701 20 0 CHADMN C[C@H]1CCN(Cc2cc(F)cc3c2OCOC3)CC1(C)C ZINC000545419360 1128013897 /nfs/dbraw/zinc/01/38/97/1128013897.db2.gz NXTGURNQBIIKAI-LBPRGKRZSA-N 0 1 293.382 3.560 20 0 CHADMN c1sc(CN(C2CC2)C2CCCC2)nc1C1CC1 ZINC000541351304 1128019251 /nfs/dbraw/zinc/01/92/51/1128019251.db2.gz YKKMBTVVBJZSAR-UHFFFAOYSA-N 0 1 262.422 3.928 20 0 CHADMN C[C@@H](c1ncccn1)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000929676609 1128017995 /nfs/dbraw/zinc/01/79/95/1128017995.db2.gz RHVMZHJUTLIAPG-IPYPFGDCSA-N 0 1 285.366 3.555 20 0 CHADMN C[C@@H]1CN(Cc2ncc(C(C)(C)C)o2)CC(C)(C)C1 ZINC000541323625 1128018315 /nfs/dbraw/zinc/01/83/15/1128018315.db2.gz FCGOADJQHUUQHN-LBPRGKRZSA-N 0 1 264.413 3.840 20 0 CHADMN CC[C@@H]1CCC[C@H](CN(C)Cc2cscn2)C1 ZINC000541536456 1128026290 /nfs/dbraw/zinc/02/62/90/1128026290.db2.gz VGNJZHLVVKMEBR-OLZOCXBDSA-N 0 1 252.427 3.791 20 0 CHADMN CC(=Cc1nc(-c2cc3nc[nH]c3c(C)c2)no1)C1CC1 ZINC000545726675 1128030554 /nfs/dbraw/zinc/03/05/54/1128030554.db2.gz BSYLLWOWOFJHTE-TWGQIWQCSA-N 0 1 280.331 3.735 20 0 CHADMN CC(C)COC[C@H](NC[C@H](C)C(F)(F)F)c1ccco1 ZINC000541626371 1128031312 /nfs/dbraw/zinc/03/13/12/1128031312.db2.gz DDGXUJXGFZGCQU-RYUDHWBXSA-N 0 1 293.329 3.781 20 0 CHADMN Cc1cc(-c2nc(-c3ccc4[nH]cnc4c3)no2)sc1C ZINC000545748314 1128031335 /nfs/dbraw/zinc/03/13/35/1128031335.db2.gz VVWIAFDSUUVSRX-UHFFFAOYSA-N 0 1 296.355 3.958 20 0 CHADMN C(=C1CCCC1)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000545754011 1128032240 /nfs/dbraw/zinc/03/22/40/1128032240.db2.gz JXZBQHAFMMKNEZ-UHFFFAOYSA-N 0 1 266.304 3.570 20 0 CHADMN C[C@H](N(Cc1ccn(C)n1)Cc1ccccc1)C(C)(C)C ZINC000469445719 1128043784 /nfs/dbraw/zinc/04/37/84/1128043784.db2.gz FZUUGOPEKHAAEX-HNNXBMFYSA-N 0 1 285.435 3.857 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(CCC(F)(F)F)[C@@H]2C ZINC000541949552 1128044524 /nfs/dbraw/zinc/04/45/24/1128044524.db2.gz WDBIRJYYAXJDKM-GHMZBOCLSA-N 0 1 287.325 3.955 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]2/C=C\c2ccccc2)nc1 ZINC000469759593 1128052544 /nfs/dbraw/zinc/05/25/44/1128052544.db2.gz AUIFCQQGFLESAO-IBWPDUFMSA-N 0 1 282.362 3.899 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]2/C=C/c2ccccc2)nc1 ZINC000469759595 1128053036 /nfs/dbraw/zinc/05/30/36/1128053036.db2.gz AUIFCQQGFLESAO-VEGGFIAOSA-N 0 1 282.362 3.899 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(F)cn2)cc(C)c1F ZINC000469782652 1128053273 /nfs/dbraw/zinc/05/32/73/1128053273.db2.gz DZUOBUMRBVXZAN-LBPRGKRZSA-N 0 1 276.330 3.827 20 0 CHADMN Fc1ccc(F)c2c1CCN(CCc1ccccc1)C2 ZINC000469963248 1128059287 /nfs/dbraw/zinc/05/92/87/1128059287.db2.gz NMCRWPFAMRUGOR-UHFFFAOYSA-N 0 1 273.326 3.566 20 0 CHADMN C[C@@H]1CC[C@H](N(C)C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000469951909 1128059477 /nfs/dbraw/zinc/05/94/77/1128059477.db2.gz CXDONUZJYOTMMA-OCCSQVGLSA-N 0 1 289.423 3.718 20 0 CHADMN Fc1cccc(CCN2CCC(C(F)(F)F)CC2)c1F ZINC000542276828 1128060562 /nfs/dbraw/zinc/06/05/62/1128060562.db2.gz FGUYJYPJLDVDRX-UHFFFAOYSA-N 0 1 293.279 3.782 20 0 CHADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)CC1=CCCCC1 ZINC000470314589 1128068148 /nfs/dbraw/zinc/06/81/48/1128068148.db2.gz UOCGNMYCSGTWPL-UHFFFAOYSA-N 0 1 289.423 3.556 20 0 CHADMN CCCC1(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)CCC1 ZINC000470344358 1128069523 /nfs/dbraw/zinc/06/95/23/1128069523.db2.gz KXXHMCWUKKMFAJ-UHFFFAOYSA-N 0 1 291.439 3.636 20 0 CHADMN CC(C)c1nc(CN(C)C2C[C@H](C)O[C@@H](C)C2)cs1 ZINC001257099881 1128070618 /nfs/dbraw/zinc/07/06/18/1128070618.db2.gz UPGLRXMIJHBMMR-RYUDHWBXSA-N 0 1 282.453 3.654 20 0 CHADMN CC(C)CCC[C@@H](C)NC(=O)CN[C@H](C)c1ccsc1 ZINC000669937124 1128076334 /nfs/dbraw/zinc/07/63/34/1128076334.db2.gz JZBQCHWADYNKDG-ZIAGYGMSSA-N 0 1 296.480 3.730 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN[C@@H](C)c2ccsc2)c1 ZINC000669938220 1128077203 /nfs/dbraw/zinc/07/72/03/1128077203.db2.gz HKWPTDXTYXQMNJ-ZDUSSCGKSA-N 0 1 288.416 3.654 20 0 CHADMN Cc1ccnc(NC[C@@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000470516456 1128072508 /nfs/dbraw/zinc/07/25/08/1128072508.db2.gz QZOONYNZJQVNFC-WMZOPIPTSA-N 0 1 282.387 3.970 20 0 CHADMN Cc1ccnc(NC[C@@H](c2ccccc2Cl)N(C)C)c1 ZINC000470521015 1128072597 /nfs/dbraw/zinc/07/25/97/1128072597.db2.gz SOXGVTNPBVWPEB-HNNXBMFYSA-N 0 1 289.810 3.758 20 0 CHADMN CC[C@H](C)N(CC(=O)c1cccn1C)Cc1ccccc1 ZINC000172625798 1128073724 /nfs/dbraw/zinc/07/37/24/1128073724.db2.gz SZDMOFRJYRDOQH-HNNXBMFYSA-N 0 1 284.403 3.509 20 0 CHADMN C[C@@H](O)CCCN(C)Cc1ccc(Cl)cc1Cl ZINC000682757219 1128076117 /nfs/dbraw/zinc/07/61/17/1128076117.db2.gz YTRYMMFDBNIAHF-SNVBAGLBSA-N 0 1 276.207 3.586 20 0 CHADMN C[C@@H]1CN([C@@H]2CCCc3ccc(F)cc32)C[C@@H](C2CC2)O1 ZINC000470921388 1128081186 /nfs/dbraw/zinc/08/11/86/1128081186.db2.gz BMOXLEPAPFWFTG-PJSAGSTRSA-N 0 1 289.394 3.702 20 0 CHADMN Cc1ccc(C(=O)CCN2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000470947052 1128082455 /nfs/dbraw/zinc/08/24/55/1128082455.db2.gz MTABPWMVNGIPMU-GXTWGEPZSA-N 0 1 299.336 3.841 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCN1CCc1cccc(F)c1F ZINC000470943589 1128083262 /nfs/dbraw/zinc/08/32/62/1128083262.db2.gz DGPHZKRGRMVEOZ-ONGXEEELSA-N 0 1 293.279 3.780 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cccc(F)c1 ZINC000470948870 1128083415 /nfs/dbraw/zinc/08/34/15/1128083415.db2.gz VRGZGPPUYXGFOO-BXKDBHETSA-N 0 1 261.262 3.598 20 0 CHADMN Cc1cscc1-c1noc([C@H]2CCCN2C(C)C)n1 ZINC000924024415 1128088897 /nfs/dbraw/zinc/08/88/97/1128088897.db2.gz ZNERJSIDOALQTM-GFCCVEGCSA-N 0 1 277.393 3.652 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])CCC12CC3CC(CC(C3)C1)C2 ZINC000037596135 1128090457 /nfs/dbraw/zinc/09/04/57/1128090457.db2.gz JDAPFXQNODQQBP-UHFFFAOYSA-N 0 1 293.451 3.778 20 0 CHADMN CCC[C@@]1(C)CCCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000173660181 1128092108 /nfs/dbraw/zinc/09/21/08/1128092108.db2.gz YLHHRMHMKVHCNO-INIZCTEOSA-N 0 1 277.412 3.576 20 0 CHADMN C[C@@H](NC1CC1)c1ncc(C(F)(F)F)cc1Cl ZINC000924532926 1128101948 /nfs/dbraw/zinc/10/19/48/1128101948.db2.gz VTBDJUODZISSNK-ZCFIWIBFSA-N 0 1 264.678 3.567 20 0 CHADMN CC[C@H](N[C@@H](C)c1cc(OC)no1)c1ccc(C)cc1 ZINC000924546713 1128103776 /nfs/dbraw/zinc/10/37/76/1128103776.db2.gz KNDUJYNGISMHLD-JSGCOSHPSA-N 0 1 274.364 3.794 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H](C)c2cccs2)c1 ZINC000924549082 1128104648 /nfs/dbraw/zinc/10/46/48/1128104648.db2.gz QASSVSSGDFPNFX-QWRGUYRKSA-N 0 1 262.378 3.564 20 0 CHADMN CC[C@@H](N[C@@H]1CCOc2ccccc21)c1cccc(OC)n1 ZINC000924562382 1128105517 /nfs/dbraw/zinc/10/55/17/1128105517.db2.gz CRBZFAQYTCRCRG-HUUCEWRRSA-N 0 1 298.386 3.655 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cnn(C3CCC3)c2)ccc1F ZINC000924592243 1128106214 /nfs/dbraw/zinc/10/62/14/1128106214.db2.gz AKANSCPBNBTYLP-ZDUSSCGKSA-N 0 1 287.382 3.906 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2ccnnc2)c(C)s1 ZINC000924602835 1128107337 /nfs/dbraw/zinc/10/73/37/1128107337.db2.gz OLLDMBTTYNNIIY-QWRGUYRKSA-N 0 1 261.394 3.567 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2ccnnc2)c(C)s1 ZINC000924602836 1128107355 /nfs/dbraw/zinc/10/73/55/1128107355.db2.gz OLLDMBTTYNNIIY-WDEREUQCSA-N 0 1 261.394 3.567 20 0 CHADMN COc1cccc([C@@H](C)N[C@@H](C)c2cccc3c2OCO3)c1 ZINC000924722568 1128111737 /nfs/dbraw/zinc/11/17/37/1128111737.db2.gz GUPFMIYQBYBGQZ-OLZOCXBDSA-N 0 1 299.370 3.836 20 0 CHADMN COc1ccccc1[C@H](NCC1CCCC1)c1ccccn1 ZINC000924775557 1128112210 /nfs/dbraw/zinc/11/22/10/1128112210.db2.gz AOSJIMHCIDJTBC-IBGZPJMESA-N 0 1 296.414 3.959 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C=CC(C)(C)C)c2C)o1 ZINC000492987231 1128119027 /nfs/dbraw/zinc/11/90/27/1128119027.db2.gz CNAPBAHTKCFDTM-HJWRWDBZSA-N 0 1 287.363 3.827 20 0 CHADMN Oc1cccc(CN[C@@H]2CCCc3c(Cl)ccnc32)c1 ZINC000924898748 1128115889 /nfs/dbraw/zinc/11/58/89/1128115889.db2.gz AMGJKTRNHJQPCH-OAHLLOKOSA-N 0 1 288.778 3.608 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)c1cccnc1)C1(Cl)CC1 ZINC000924936203 1128116506 /nfs/dbraw/zinc/11/65/06/1128116506.db2.gz FDGVUWOASLJVHB-XJKSGUPXSA-N 0 1 286.806 3.921 20 0 CHADMN Cc1ccc(C[C@H](C)N[C@@H](C)c2ncco2)c(C)c1 ZINC000925010561 1128118493 /nfs/dbraw/zinc/11/84/93/1128118493.db2.gz OMRRJSFLGBZFIV-KBPBESRZSA-N 0 1 258.365 3.573 20 0 CHADMN C[C@H](N[C@@H](C)c1cc[nH]c(=O)c1)c1nc2ccccc2s1 ZINC000925074364 1128120626 /nfs/dbraw/zinc/12/06/26/1128120626.db2.gz VXESLHKEALLMMS-QWRGUYRKSA-N 0 1 299.399 3.809 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccnn1C1CCC1)c1ccncc1 ZINC000925131175 1128122797 /nfs/dbraw/zinc/12/27/97/1128122797.db2.gz RPVHQUJVCVGFEB-CZUORRHYSA-N 0 1 284.407 3.805 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](C)c1cnn(C2CCC2)c1 ZINC000925259710 1128126933 /nfs/dbraw/zinc/12/69/33/1128126933.db2.gz LEPFRUJQFFSWOI-AWEZNQCLSA-N 0 1 299.418 3.776 20 0 CHADMN C[C@@H](N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccnnc1 ZINC000925269995 1128127583 /nfs/dbraw/zinc/12/75/83/1128127583.db2.gz QKSWJVUCCDRDEW-CZUORRHYSA-N 0 1 295.386 3.574 20 0 CHADMN FCCCN[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000925556394 1128131527 /nfs/dbraw/zinc/13/15/27/1128131527.db2.gz KJMFVZDCEOKKMB-HNNXBMFYSA-N 0 1 278.758 3.774 20 0 CHADMN CCC1(CC)[C@H](N[C@H]2CCCc3oc(C)nc32)C[C@@H]1OC ZINC000925545564 1128131821 /nfs/dbraw/zinc/13/18/21/1128131821.db2.gz GVDJZJBGYGMNKN-CFVMTHIKSA-N 0 1 292.423 3.544 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CCCC(F)(F)C1 ZINC000925565053 1128132336 /nfs/dbraw/zinc/13/23/36/1128132336.db2.gz XSRLBICILYKLSN-QWRGUYRKSA-N 0 1 270.323 3.528 20 0 CHADMN CCN(c1ccc(N[C@H](C)c2cn(C)cn2)cc1)C(C)C ZINC000925735112 1128139254 /nfs/dbraw/zinc/13/92/54/1128139254.db2.gz SUXAAEMLWSALGK-CQSZACIVSA-N 0 1 286.423 3.828 20 0 CHADMN C[C@@H](N[C@H](C)C1(Cl)CC1)c1cccc(F)c1F ZINC000925666626 1128136334 /nfs/dbraw/zinc/13/63/34/1128136334.db2.gz UJEDGXNDLPUOHX-RKDXNWHRSA-N 0 1 259.727 3.775 20 0 CHADMN C[C@H](NCC1(c2ccc(F)cc2Cl)CC1)c1ncco1 ZINC000925666293 1128136499 /nfs/dbraw/zinc/13/64/99/1128136499.db2.gz LAQJDMNQUUPELO-JTQLQIEISA-N 0 1 294.757 3.850 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@H](C)c1ccns1 ZINC000925684889 1128136802 /nfs/dbraw/zinc/13/68/02/1128136802.db2.gz JKZZJGLDQUYRTP-WDEREUQCSA-N 0 1 261.394 3.512 20 0 CHADMN C[C@@H](NC1(C2CC2)CC1)c1nc(Br)ccc1F ZINC000925895778 1128145198 /nfs/dbraw/zinc/14/51/98/1128145198.db2.gz BMJDYWZISHJKOC-MRVPVSSYSA-N 0 1 299.187 3.576 20 0 CHADMN Cc1cccc([C@@H](NCCOC2CCC2)c2ccccn2)c1 ZINC000925893209 1128145273 /nfs/dbraw/zinc/14/52/73/1128145273.db2.gz ACKNDEYWFAYUHL-LJQANCHMSA-N 0 1 296.414 3.638 20 0 CHADMN C[C@H](NC1(c2ccc(Cl)cc2)CCC1)c1ccnnc1 ZINC000925776937 1128142545 /nfs/dbraw/zinc/14/25/45/1128142545.db2.gz BEFFMBGNLJPGBE-LBPRGKRZSA-N 0 1 287.794 3.860 20 0 CHADMN C[C@H](c1cccc(Cl)c1)N1CCc2cc[nH]c(=O)c2C1 ZINC000493999148 1128153378 /nfs/dbraw/zinc/15/33/78/1128153378.db2.gz HNHOSKMVHHBIPX-LLVKDONJSA-N 0 1 288.778 3.560 20 0 CHADMN COc1cc([C@H](C)N[C@@H]2c3cc(C)ccc3C[C@H]2C)on1 ZINC000926115921 1128155774 /nfs/dbraw/zinc/15/57/74/1128155774.db2.gz JSLFXZYUFLCGHV-PEBVRCNWSA-N 0 1 286.375 3.576 20 0 CHADMN Cc1csc([C@H](C)CN[C@@H]2CCCc3oc(C)nc32)n1 ZINC000926151772 1128157611 /nfs/dbraw/zinc/15/76/11/1128157611.db2.gz WJRAETMHPDHWEX-BXKDBHETSA-N 0 1 291.420 3.519 20 0 CHADMN CCCc1csc(CNC[C@@H](C)c2c(C)noc2C)n1 ZINC000494170079 1128158098 /nfs/dbraw/zinc/15/80/98/1128158098.db2.gz BWMWBKPFGUVOLD-SNVBAGLBSA-N 0 1 293.436 3.594 20 0 CHADMN Clc1ccc([C@@H]2CCCCCN2CC2OCCO2)cc1 ZINC000777589221 1128158594 /nfs/dbraw/zinc/15/85/94/1128158594.db2.gz RLDZSCPVTZJNLR-HNNXBMFYSA-N 0 1 295.810 3.630 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000926185808 1128158755 /nfs/dbraw/zinc/15/87/55/1128158755.db2.gz KUGLQIRYCNDYEH-AEGPPILISA-N 0 1 292.423 3.542 20 0 CHADMN C[C@H](NCc1cccc(OC(C)(C)C)c1)c1ccnnc1 ZINC000926829517 1128196908 /nfs/dbraw/zinc/19/69/08/1128196908.db2.gz IESBZWODFKLQBY-ZDUSSCGKSA-N 0 1 285.391 3.505 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccc(SC)cc2)n1 ZINC000219173935 1128163593 /nfs/dbraw/zinc/16/35/93/1128163593.db2.gz CMDODGZQGDQVQI-LBPRGKRZSA-N 0 1 288.416 3.663 20 0 CHADMN FC(F)(CN[C@H](C1CC1)C1CCOCC1)c1ccccc1 ZINC000926259933 1128164067 /nfs/dbraw/zinc/16/40/67/1128164067.db2.gz PLKFZVXIAAACJR-MRXNPFEDSA-N 0 1 295.373 3.573 20 0 CHADMN C[C@@H](NCC[C@H]1C[C@@H](C)CC(C)(C)C1)c1cc(CO)on1 ZINC000926292293 1128165660 /nfs/dbraw/zinc/16/56/60/1128165660.db2.gz YWFDBLIQNCIPRF-MCIONIFRSA-N 0 1 294.439 3.670 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)[C@H](C)c1cnccn1 ZINC000494274544 1128168387 /nfs/dbraw/zinc/16/83/87/1128168387.db2.gz QXHGIHNGOXJDSL-QKXCFHHRSA-N 0 1 267.376 3.573 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccc(Cl)cc1)c1ccns1 ZINC000926429435 1128171446 /nfs/dbraw/zinc/17/14/46/1128171446.db2.gz ZRFBQNZNVNRZSL-MFKMUULPSA-N 0 1 296.823 3.571 20 0 CHADMN CCC[C@H](NC[C@H](CC)OC)c1ncccc1Cl ZINC000926462112 1128173215 /nfs/dbraw/zinc/17/32/15/1128173215.db2.gz UYEOMESPQOBUDR-AAEUAGOBSA-N 0 1 270.804 3.591 20 0 CHADMN Cc1ccoc1CN[C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000926472278 1128174188 /nfs/dbraw/zinc/17/41/88/1128174188.db2.gz WXRQYMBVBIVRQR-ZDUSSCGKSA-N 0 1 273.376 3.666 20 0 CHADMN CCC[N@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000494472269 1128174832 /nfs/dbraw/zinc/17/48/32/1128174832.db2.gz NOKDPFPPBJQOCE-UHFFFAOYSA-N 0 1 268.198 3.526 20 0 CHADMN CCCN1CCc2c(Br)cc(C)cc2C1 ZINC000494472269 1128174833 /nfs/dbraw/zinc/17/48/33/1128174833.db2.gz NOKDPFPPBJQOCE-UHFFFAOYSA-N 0 1 268.198 3.526 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn(C)cn1)c1cccc(C2CC2)c1 ZINC000926493993 1128175737 /nfs/dbraw/zinc/17/57/37/1128175737.db2.gz XMUKPXAOFSTAML-OLZOCXBDSA-N 0 1 269.392 3.709 20 0 CHADMN CCC[C@H](NCC1=CCOCC1)c1ncccc1Cl ZINC000926506972 1128176981 /nfs/dbraw/zinc/17/69/81/1128176981.db2.gz UKWCLAWTSRGLDG-AWEZNQCLSA-N 0 1 280.799 3.513 20 0 CHADMN Cc1cccc([C@H](N[C@H](C)CC(C)(C)O)c2ccccn2)c1 ZINC000926512779 1128177734 /nfs/dbraw/zinc/17/77/34/1128177734.db2.gz ODABKRIWPALKIW-QAPCUYQASA-N 0 1 298.430 3.619 20 0 CHADMN CC[C@@H]1C[C@H]1CN[C@H](c1ccccn1)c1ccccc1OC ZINC000926523201 1128178347 /nfs/dbraw/zinc/17/83/47/1128178347.db2.gz VDIOTRSQPDMMSK-VCBZYWHSSA-N 0 1 296.414 3.815 20 0 CHADMN CCCc1ncc(CN[C@H]2CCc3cccc(C)c32)o1 ZINC000926537630 1128179456 /nfs/dbraw/zinc/17/94/56/1128179456.db2.gz NHMYOZCAIJTQLN-HNNXBMFYSA-N 0 1 270.376 3.713 20 0 CHADMN Clc1ccnc2c1CC[C@H]2NCCOCC1CCCC1 ZINC000926555107 1128180930 /nfs/dbraw/zinc/18/09/30/1128180930.db2.gz CCPAWLHIUXJDBN-OAHLLOKOSA-N 0 1 294.826 3.519 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)CCOCC(F)(F)F ZINC000194311069 1128198246 /nfs/dbraw/zinc/19/82/46/1128198246.db2.gz MXKVXQRBIKFMIK-JTQLQIEISA-N 0 1 295.732 3.912 20 0 CHADMN Clc1cccc([C@H](N[C@@H]2CC23CC3)c2ccccn2)c1 ZINC000926613267 1128183850 /nfs/dbraw/zinc/18/38/50/1128183850.db2.gz CPUYTHIQSYUCTP-CVEARBPZSA-N 0 1 284.790 3.967 20 0 CHADMN Cc1ccc([C@@H](N[C@H]2CC23CC3)c2ccccn2)cc1 ZINC000926613726 1128183864 /nfs/dbraw/zinc/18/38/64/1128183864.db2.gz DXGKKHCWMDNPDZ-DLBZAZTESA-N 0 1 264.372 3.622 20 0 CHADMN Cc1ccc([C@@H](N[C@@H]2CC23CC3)c2ccccn2)cc1 ZINC000926613727 1128183911 /nfs/dbraw/zinc/18/39/11/1128183911.db2.gz DXGKKHCWMDNPDZ-IAGOWNOFSA-N 0 1 264.372 3.622 20 0 CHADMN C[C@H](N[C@@H]1CC12CC2)c1ncc(C(F)(F)F)cc1Cl ZINC000926617087 1128184020 /nfs/dbraw/zinc/18/40/20/1128184020.db2.gz WNAIENPKOWXOLA-OIBJUYFYSA-N 0 1 290.716 3.957 20 0 CHADMN COc1cccc(C)c1NC(=O)c1ccc(O)c(Cl)c1 ZINC000192943979 1128188600 /nfs/dbraw/zinc/18/86/00/1128188600.db2.gz HXZFJYJHDIYZRW-UHFFFAOYSA-N 0 1 291.734 3.615 20 0 CHADMN C[C@H](NCc1c(C2CC2)cnn1C)c1cc2ccccc2[nH]1 ZINC000926702883 1128188978 /nfs/dbraw/zinc/18/89/78/1128188978.db2.gz QRZYDLWHLVSAKR-LBPRGKRZSA-N 0 1 294.402 3.630 20 0 CHADMN COc1cc([C@H](C)N[C@H]2CCCc3c(C)cccc32)on1 ZINC000926729520 1128190744 /nfs/dbraw/zinc/19/07/44/1128190744.db2.gz NRJGMEKUPJGIRL-WFASDCNBSA-N 0 1 286.375 3.720 20 0 CHADMN CCn1nccc1CN[C@@H](C)c1c(C)oc2ccccc21 ZINC000926738388 1128191629 /nfs/dbraw/zinc/19/16/29/1128191629.db2.gz KNLIOEBNQHNJCY-LBPRGKRZSA-N 0 1 283.375 3.808 20 0 CHADMN CS[C@H]1C[C@H](N[C@@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000926791344 1128194773 /nfs/dbraw/zinc/19/47/73/1128194773.db2.gz ADCNCINWGGVTTQ-BQFCYCMXSA-N 0 1 298.455 3.963 20 0 CHADMN CS[C@H]1C[C@H](N[C@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000926789940 1128194940 /nfs/dbraw/zinc/19/49/40/1128194940.db2.gz GZPWBUGNDUQTTR-JFIYKMOQSA-N 0 1 298.455 3.963 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H](C)c1cc2ccccc2[nH]1 ZINC000926835220 1128196765 /nfs/dbraw/zinc/19/67/65/1128196765.db2.gz BRZXLOOGWWGZII-YPMHNXCESA-N 0 1 280.375 3.678 20 0 CHADMN C[C@@H](NC[C@@H](O)c1ccccc1)c1nc2ccccc2s1 ZINC000035114550 1128257505 /nfs/dbraw/zinc/25/75/05/1128257505.db2.gz CDPPFADKFJMJMH-IUODEOHRSA-N 0 1 298.411 3.681 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)Cc1cccc2c1OCC2 ZINC001205129829 1128263079 /nfs/dbraw/zinc/26/30/79/1128263079.db2.gz BQDWEWSPCIPPMU-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN Cc1ccc(CN(C)[C@H](C)c2ccc(F)nc2)cc1 ZINC000929206683 1128264156 /nfs/dbraw/zinc/26/41/56/1128264156.db2.gz CQKQRGLSSDBZFV-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN COc1ccc(C[N@@H+](C)CCCC(C)(F)F)c(OC)c1 ZINC000929213031 1128264438 /nfs/dbraw/zinc/26/44/38/1128264438.db2.gz CAJNRZYTJDVEOG-UHFFFAOYSA-N 0 1 287.350 3.571 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1Cc1coc(C(C)(C)C)n1 ZINC000929213356 1128264926 /nfs/dbraw/zinc/26/49/26/1128264926.db2.gz ZCWHLPRXWOWLCJ-CYBMUJFWSA-N 0 1 250.386 3.737 20 0 CHADMN CC[C@@H]1CCCCN1Cc1coc(C(C)(C)C)n1 ZINC000929213356 1128264929 /nfs/dbraw/zinc/26/49/29/1128264929.db2.gz ZCWHLPRXWOWLCJ-CYBMUJFWSA-N 0 1 250.386 3.737 20 0 CHADMN C[C@H](N(C)Cc1coc(C(C)(C)C)n1)C(C)(C)C ZINC000929250499 1128265508 /nfs/dbraw/zinc/26/55/08/1128265508.db2.gz SIIXSQIQTGAIPH-NSHDSACASA-N 0 1 252.402 3.839 20 0 CHADMN CCc1ccc2ccccc2c1CN[C@@H](C)c1ccn(C)n1 ZINC000926937104 1128204097 /nfs/dbraw/zinc/20/40/97/1128204097.db2.gz KDXHVUMNVJGRLR-AWEZNQCLSA-N 0 1 293.414 3.987 20 0 CHADMN CCc1onc(C)c1CN(C)[C@@H]1CCc2ccccc21 ZINC000929245635 1128265631 /nfs/dbraw/zinc/26/56/31/1128265631.db2.gz DYYBQYDDTPCNMX-MRXNPFEDSA-N 0 1 270.376 3.665 20 0 CHADMN Cc1nc(C)c(CN(C)Cc2ccc(C(C)C)cc2)[nH]1 ZINC000929236213 1128265669 /nfs/dbraw/zinc/26/56/69/1128265669.db2.gz BMKOWRRXDQOAPW-UHFFFAOYSA-N 0 1 271.408 3.782 20 0 CHADMN CC[C@@](C)(NC[C@H](OC)C1CCCCC1)c1nccs1 ZINC000660080306 1128205468 /nfs/dbraw/zinc/20/54/68/1128205468.db2.gz ZZESBMIUIZXZIT-GOEBONIOSA-N 0 1 296.480 3.953 20 0 CHADMN CC[C@](C)(NC[C@H](OC)C1CCCCC1)c1nccs1 ZINC000660080307 1128205717 /nfs/dbraw/zinc/20/57/17/1128205717.db2.gz ZZESBMIUIZXZIT-HOCLYGCPSA-N 0 1 296.480 3.953 20 0 CHADMN Fc1ccc([C@H](NCCC2CC=CC2)c2ncc[nH]2)cc1 ZINC000926952528 1128205729 /nfs/dbraw/zinc/20/57/29/1128205729.db2.gz ZTXAZVVMWWLUBD-INIZCTEOSA-N 0 1 285.366 3.584 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)NCc2ncc(C)cc2C)c1 ZINC000926954076 1128206045 /nfs/dbraw/zinc/20/60/45/1128206045.db2.gz HQASNCGRFVRUAZ-AWEZNQCLSA-N 0 1 297.402 3.508 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)C(=O)c1cc(C(C)C)[nH]n1 ZINC000494856891 1128206378 /nfs/dbraw/zinc/20/63/78/1128206378.db2.gz CRXUEZFAEBYCNO-GXDHUFHOSA-N 0 1 297.402 3.709 20 0 CHADMN Cc1nc([C@H](C)NC[C@H]2CCCC3(CCC3)O2)c(C)s1 ZINC000927019018 1128208318 /nfs/dbraw/zinc/20/83/18/1128208318.db2.gz QOIQHMDVNBFBKR-SMDDNHRTSA-N 0 1 294.464 3.902 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H]2CCCC3(CCC3)O2)c(C)s1 ZINC000927019013 1128208423 /nfs/dbraw/zinc/20/84/23/1128208423.db2.gz QOIQHMDVNBFBKR-FZMZJTMJSA-N 0 1 294.464 3.902 20 0 CHADMN CCOc1ccc2c(c1)CCN(C/C=C\c1ccncc1)C2 ZINC000494920996 1128212268 /nfs/dbraw/zinc/21/22/68/1128212268.db2.gz GMBYQKXSPQMFLW-ARJAWSKDSA-N 0 1 294.398 3.552 20 0 CHADMN CN(Cc1cc(Cl)cs1)[C@H](CCO)c1ccccc1 ZINC000494934329 1128212835 /nfs/dbraw/zinc/21/28/35/1128212835.db2.gz GXFNGPMMYPATQQ-OAHLLOKOSA-N 0 1 295.835 3.957 20 0 CHADMN CC(C)[C@H](N[C@@H]1CCCc2cccnc21)c1ccc(F)cn1 ZINC000927061698 1128213342 /nfs/dbraw/zinc/21/33/42/1128213342.db2.gz QGESBSSTLHQJBL-SJORKVTESA-N 0 1 299.393 3.980 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1ccc(F)cc1F)c1cnn(C)c1 ZINC000927066157 1128213968 /nfs/dbraw/zinc/21/39/68/1128213968.db2.gz LCMOHNSKFWCSHR-BZNIZROVSA-N 0 1 293.361 3.746 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1ccc(F)cc1F)c1cnn(C)c1 ZINC000927066156 1128214339 /nfs/dbraw/zinc/21/43/39/1128214339.db2.gz LCMOHNSKFWCSHR-BDJLRTHQSA-N 0 1 293.361 3.746 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H](c2cnn(C)c2)C(C)C)o1 ZINC000927067275 1128214976 /nfs/dbraw/zinc/21/49/76/1128214976.db2.gz FHODMVFVCFECKC-WBMJQRKESA-N 0 1 275.396 3.623 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@H](c1cnn(C)c1)C(C)C ZINC000927071789 1128215773 /nfs/dbraw/zinc/21/57/73/1128215773.db2.gz UXLXXRYCGLGSDK-RISCZKNCSA-N 0 1 293.436 3.538 20 0 CHADMN CCN(Cc1c(F)cccc1F)C[C@@H]1CCSC1 ZINC000494950478 1128217450 /nfs/dbraw/zinc/21/74/50/1128217450.db2.gz MYNBWVFECCBMAQ-NSHDSACASA-N 0 1 271.376 3.540 20 0 CHADMN C[C@@H](NCc1cc(C2CC2)nn1C)c1csc(Cl)c1 ZINC000927099262 1128217703 /nfs/dbraw/zinc/21/77/03/1128217703.db2.gz ATAVQNHNBGHJJN-SECBINFHSA-N 0 1 295.839 3.863 20 0 CHADMN CCN(Cc1cccnc1OCc1ccccc1)C1CC1 ZINC001238769680 1131242663 /nfs/dbraw/zinc/24/26/63/1131242663.db2.gz CSBHZYASKUGIDA-UHFFFAOYSA-N 0 1 282.387 3.645 20 0 CHADMN CCc1onc(C)c1CN[C@@H](C)c1sccc1C ZINC000927136729 1128221365 /nfs/dbraw/zinc/22/13/65/1128221365.db2.gz DUYPAWJPRGMOBR-NSHDSACASA-N 0 1 264.394 3.766 20 0 CHADMN CCc1onc(C)c1CN[C@H]1CCc2c1cccc2C ZINC000927139130 1128221372 /nfs/dbraw/zinc/22/13/72/1128221372.db2.gz GYYWWSBJNXDMBZ-INIZCTEOSA-N 0 1 270.376 3.631 20 0 CHADMN CCc1onc(C)c1CN[C@@H](C)c1cccc(C)c1 ZINC000927142678 1128222671 /nfs/dbraw/zinc/22/26/71/1128222671.db2.gz VKOYFAWCXDAWBP-LBPRGKRZSA-N 0 1 258.365 3.705 20 0 CHADMN Cc1nc(C)c(CN(C)[C@H](C)c2ccc(C)cc2)[nH]1 ZINC000929278394 1128267153 /nfs/dbraw/zinc/26/71/53/1128267153.db2.gz XUQGWDSLLGLOAV-CYBMUJFWSA-N 0 1 257.381 3.528 20 0 CHADMN CO[C@@H]1CCN(Cc2cscc2Cl)CC1(C)C ZINC000648742468 1128228218 /nfs/dbraw/zinc/22/82/18/1128228218.db2.gz FEXUAROLMPQZMJ-GFCCVEGCSA-N 0 1 273.829 3.648 20 0 CHADMN CCC[C@H](C)[N@H+]1CCc2c(Br)cccc2C1 ZINC001257325581 1128235323 /nfs/dbraw/zinc/23/53/23/1128235323.db2.gz LGPQXIKRLUAQMT-NSHDSACASA-N 0 1 282.225 3.996 20 0 CHADMN CCC[C@H](C)N1CCc2c(Br)cccc2C1 ZINC001257325581 1128235327 /nfs/dbraw/zinc/23/53/27/1128235327.db2.gz LGPQXIKRLUAQMT-NSHDSACASA-N 0 1 282.225 3.996 20 0 CHADMN CCC[C@H](C)[N@H+]1CCO[C@](C)(c2ccc(C)cc2)C1 ZINC001257325183 1128235551 /nfs/dbraw/zinc/23/55/51/1128235551.db2.gz GZPYEMGGYHRADA-RDJZCZTQSA-N 0 1 261.409 3.731 20 0 CHADMN CN(Cc1cscn1)CC1CCC2(CC2)CC1 ZINC000929345151 1128270990 /nfs/dbraw/zinc/27/09/90/1128270990.db2.gz YRTVMPYFVGVJSH-UHFFFAOYSA-N 0 1 250.411 3.545 20 0 CHADMN CC(C)n1ccn(CN2CC3(CCC3)C[C@@H]2C)c1=S ZINC000762145799 1128272893 /nfs/dbraw/zinc/27/28/93/1128272893.db2.gz YIPIHJZOOHFLFS-ZDUSSCGKSA-N 0 1 279.453 3.822 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CCC(OC2CCCC2)CC1 ZINC000929428065 1128273566 /nfs/dbraw/zinc/27/35/66/1128273566.db2.gz BUJRQRIBLHOYRU-ZDUSSCGKSA-N 0 1 292.398 3.705 20 0 CHADMN CCc1ncc(CN2CCC(OC3CCCCC3)CC2)o1 ZINC000929425666 1128273829 /nfs/dbraw/zinc/27/38/29/1128273829.db2.gz WOAZNXVFJDNFJU-UHFFFAOYSA-N 0 1 292.423 3.551 20 0 CHADMN Cc1occc1CN(C)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929336578 1128269766 /nfs/dbraw/zinc/26/97/66/1128269766.db2.gz YJWWDPGIJFSMTF-OLZOCXBDSA-N 0 1 291.313 3.520 20 0 CHADMN COc1cccc2cc(CNCc3cccc(F)c3)oc21 ZINC000035254876 1128275247 /nfs/dbraw/zinc/27/52/47/1128275247.db2.gz QUAFPCVWHPQNTL-UHFFFAOYSA-N 0 1 285.318 3.870 20 0 CHADMN Cc1cc(-c2noc(C[C@H](C)C3CC3)n2)cc2nc[nH]c21 ZINC000762171096 1128275960 /nfs/dbraw/zinc/27/59/60/1128275960.db2.gz CPRCMAMSRMQYIQ-VIFPVBQESA-N 0 1 282.347 3.510 20 0 CHADMN C[C@H](c1ccc(F)nc1)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000929531403 1128277144 /nfs/dbraw/zinc/27/71/44/1128277144.db2.gz QHMFZGWBHJERBH-IUODEOHRSA-N 0 1 288.341 3.910 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000929531403 1128277146 /nfs/dbraw/zinc/27/71/46/1128277146.db2.gz QHMFZGWBHJERBH-IUODEOHRSA-N 0 1 288.341 3.910 20 0 CHADMN Cc1nc(C)c(CN2C[C@H](C)C[C@H]2c2ccccc2F)[nH]1 ZINC000929724611 1128283956 /nfs/dbraw/zinc/28/39/56/1128283956.db2.gz CIIADEHXDKHDPS-DIFFPNOSSA-N 0 1 287.382 3.749 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1c(F)cncc1F ZINC000929718444 1128283613 /nfs/dbraw/zinc/28/36/13/1128283613.db2.gz PCKMUHQBTDMVPZ-JRPNMDOOSA-N 0 1 266.335 3.513 20 0 CHADMN CN(Cc1ccc(Cl)nc1)C[C@@H]1CCCC2(CCC2)O1 ZINC000929787222 1128287473 /nfs/dbraw/zinc/28/74/73/1128287473.db2.gz JIOWHCPIKUXEDS-AWEZNQCLSA-N 0 1 294.826 3.659 20 0 CHADMN C[C@H](N(C)Cc1coc(C(C)(C)C)n1)C1(C)CC1 ZINC000929816787 1128288972 /nfs/dbraw/zinc/28/89/72/1128288972.db2.gz LOXKLCKMEZSFDP-NSHDSACASA-N 0 1 250.386 3.593 20 0 CHADMN CC1(C)CN(Cc2cnc(-c3ccccc3)o2)CCS1 ZINC000929812547 1128289456 /nfs/dbraw/zinc/28/94/56/1128289456.db2.gz NBLWDLUKSCGVCV-UHFFFAOYSA-N 0 1 288.416 3.669 20 0 CHADMN C[C@@H](c1ncccn1)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC000929819688 1128289506 /nfs/dbraw/zinc/28/95/06/1128289506.db2.gz QTOOYNRARKSPLD-QFBILLFUSA-N 0 1 295.430 3.882 20 0 CHADMN Cc1nc(C)c(CN2CC[C@H](C)C[C@@H]2c2ccco2)[nH]1 ZINC000929757239 1128285312 /nfs/dbraw/zinc/28/53/12/1128285312.db2.gz FTIGGLFMJABFIR-XHDPSFHLSA-N 0 1 273.380 3.593 20 0 CHADMN C[C@H]1c2ccccc2CN1CCSc1ccncc1 ZINC000929767158 1128286658 /nfs/dbraw/zinc/28/66/58/1128286658.db2.gz QSPLQBRDXPYFEU-ZDUSSCGKSA-N 0 1 270.401 3.751 20 0 CHADMN Cc1cc(C)nc(CN2CC[C@H]2c2ccccc2)c1 ZINC000929788300 1128287187 /nfs/dbraw/zinc/28/71/87/1128287187.db2.gz OFTIXGJOYWHHIN-KRWDZBQOSA-N 0 1 252.361 3.645 20 0 CHADMN Cc1cc(Cc2nc(C3CCCCCCC3)no2)[nH]n1 ZINC000762357584 1128294756 /nfs/dbraw/zinc/29/47/56/1128294756.db2.gz LJASGRIVKQUYOL-UHFFFAOYSA-N 0 1 274.368 3.520 20 0 CHADMN Cc1cccnc1[C@@H](N[C@H](C)c1ccc(F)nc1)C(C)C ZINC000929979898 1128296494 /nfs/dbraw/zinc/29/64/94/1128296494.db2.gz HSWNUPQDJRTTRA-CJNGLKHVSA-N 0 1 287.382 3.972 20 0 CHADMN CCc1ncc(CN[C@@]2(C)CCCc3ccccc32)o1 ZINC000929972319 1128296595 /nfs/dbraw/zinc/29/65/95/1128296595.db2.gz ZXVIKLYNRQEVGB-KRWDZBQOSA-N 0 1 270.376 3.578 20 0 CHADMN COC/C(C)=C\CN(C)Cc1ccc(Cl)c(F)c1 ZINC000930133084 1128302193 /nfs/dbraw/zinc/30/21/93/1128302193.db2.gz CXYJDIIFRKBRLO-WDZFZDKYSA-N 0 1 271.763 3.504 20 0 CHADMN FC1(F)CC2(CN(C[C@H]3CCC4(CCCCCC4)O3)C2)C1 ZINC000930128346 1128302654 /nfs/dbraw/zinc/30/26/54/1128302654.db2.gz MAOSGMXGDCCOFL-CQSZACIVSA-N 0 1 299.405 3.990 20 0 CHADMN COC/C(C)=C/CN(C)Cc1ccc(Cl)c(F)c1 ZINC000930133083 1128302759 /nfs/dbraw/zinc/30/27/59/1128302759.db2.gz CXYJDIIFRKBRLO-IZZDOVSWSA-N 0 1 271.763 3.504 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CCC(c2cccnc2)CC1 ZINC000930160428 1128303575 /nfs/dbraw/zinc/30/35/75/1128303575.db2.gz OTDKWMHOHFKGND-ZDUSSCGKSA-N 0 1 285.366 3.556 20 0 CHADMN CC[C@H](NCc1cc(C)cc(C)n1)c1ccccc1OC ZINC000930202616 1128306339 /nfs/dbraw/zinc/30/63/39/1128306339.db2.gz VFRREIHUTIMCJD-KRWDZBQOSA-N 0 1 284.403 3.948 20 0 CHADMN Cc1nc(C)c(CN[C@H](C)c2ccccc2OC(C)C)[nH]1 ZINC000930197687 1128306694 /nfs/dbraw/zinc/30/66/94/1128306694.db2.gz FCFBUJHWALJWCK-GFCCVEGCSA-N 0 1 287.407 3.665 20 0 CHADMN CCC[C@@H](C)N(C)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000930222974 1128308197 /nfs/dbraw/zinc/30/81/97/1128308197.db2.gz SMCPXZAXWGGSAQ-CQSZACIVSA-N 0 1 292.423 3.526 20 0 CHADMN Cc1nnsc1[C@@H](C)N[C@@H](C)c1cccc(C)c1C ZINC000930224372 1128308970 /nfs/dbraw/zinc/30/89/70/1128308970.db2.gz HFDNWHGQGRATAN-NWDGAFQWSA-N 0 1 275.421 3.875 20 0 CHADMN CCC[C@H](NCc1[nH]c(C)nc1C)c1ccc(F)cc1F ZINC000930233658 1128309332 /nfs/dbraw/zinc/30/93/32/1128309332.db2.gz SZUDYWJCQIGKBI-HNNXBMFYSA-N 0 1 293.361 3.936 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](C)NCc1cc(C)nnc1C ZINC000930257859 1128311238 /nfs/dbraw/zinc/31/12/38/1128311238.db2.gz OKKOEJIOAWCRJY-CQSZACIVSA-N 0 1 295.386 3.999 20 0 CHADMN CC=CC=CC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000032465279 1128314703 /nfs/dbraw/zinc/31/47/03/1128314703.db2.gz QFBBTQKDIZMEQJ-BSWSSELBSA-N 0 1 283.375 3.931 20 0 CHADMN CC(C)(C)c1nc(CN(C2CCC2)C2CCC2)co1 ZINC000930556658 1128325179 /nfs/dbraw/zinc/32/51/79/1128325179.db2.gz RCJHEACHYHJKCD-UHFFFAOYSA-N 0 1 262.397 3.879 20 0 CHADMN CCCCO[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001205148779 1128327635 /nfs/dbraw/zinc/32/76/35/1128327635.db2.gz NVPRSNQKGMQLGE-HNNXBMFYSA-N 0 1 265.372 3.607 20 0 CHADMN CC[C@H](C)[C@@H](C)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000930632261 1128328062 /nfs/dbraw/zinc/32/80/62/1128328062.db2.gz ZSQNQOMCHOEWPN-DTWKUNHWSA-N 0 1 295.333 3.665 20 0 CHADMN Cc1nc(C)c(CN2CC3(CC=CC3)[C@H]2c2ccccc2)[nH]1 ZINC000930824322 1128336361 /nfs/dbraw/zinc/33/63/61/1128336361.db2.gz DDRZMDNSAPROGN-GOSISDBHSA-N 0 1 293.414 3.920 20 0 CHADMN COC/C(C)=C\CNC1(c2ccccc2Cl)CC1 ZINC000930815603 1128336608 /nfs/dbraw/zinc/33/66/08/1128336608.db2.gz VKBXJRPBTOTKEE-GHXNOFRVSA-N 0 1 265.784 3.511 20 0 CHADMN CCc1onc(C)c1CNC1(c2cccc(F)c2)CCC1 ZINC000930815245 1128336834 /nfs/dbraw/zinc/33/68/34/1128336834.db2.gz SVNGNYZVXYAMCY-UHFFFAOYSA-N 0 1 288.366 3.854 20 0 CHADMN COC/C(C)=C\CN1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000930999030 1128342795 /nfs/dbraw/zinc/34/27/95/1128342795.db2.gz YAGYQOJAVMMYHK-RQPMMQJISA-N 0 1 293.382 3.564 20 0 CHADMN CC1(C)C(C(=O)Nc2cc(Cl)c(O)cc2F)C1(C)C ZINC000561643585 1128343115 /nfs/dbraw/zinc/34/31/15/1128343115.db2.gz BRGYMKMUKBDCMA-UHFFFAOYSA-N 0 1 285.746 3.805 20 0 CHADMN Cc1cnc2c(c1)CN([C@H](C)Cc1cccc(F)c1)CC2 ZINC001168502006 1128353541 /nfs/dbraw/zinc/35/35/41/1128353541.db2.gz WSQAULMFTJSJGY-CQSZACIVSA-N 0 1 284.378 3.518 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1cncc(F)c1 ZINC000561843512 1128356239 /nfs/dbraw/zinc/35/62/39/1128356239.db2.gz NKRXRGWNLQGYNP-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN Cc1n[nH]cc1CN(C)Cc1cccc(OC(C)(C)C)c1 ZINC000931414454 1128359923 /nfs/dbraw/zinc/35/99/23/1128359923.db2.gz BYNIXYFBQYVYPM-UHFFFAOYSA-N 0 1 287.407 3.527 20 0 CHADMN CCc1cccnc1Nc1ccnc2cc(OC)ccc21 ZINC001203521642 1128360335 /nfs/dbraw/zinc/36/03/35/1128360335.db2.gz GBUKWRLHRUBELH-UHFFFAOYSA-N 0 1 279.343 3.944 20 0 CHADMN CC[C@H](C)CCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000561893284 1128360348 /nfs/dbraw/zinc/36/03/48/1128360348.db2.gz CDBRZRDVNNAECN-JTQLQIEISA-N 0 1 270.336 3.592 20 0 CHADMN CC[N@@H+](Cc1coc(-c2ccc(OC)cc2)n1)C(C)C ZINC000194092717 1128363456 /nfs/dbraw/zinc/36/34/56/1128363456.db2.gz SVGCJZICROSNBU-UHFFFAOYSA-N 0 1 274.364 3.581 20 0 CHADMN CCN(Cc1coc(-c2ccc(OC)cc2)n1)C(C)C ZINC000194092717 1128363461 /nfs/dbraw/zinc/36/34/61/1128363461.db2.gz SVGCJZICROSNBU-UHFFFAOYSA-N 0 1 274.364 3.581 20 0 CHADMN CC(C)c1nsc(CN[C@H](C)[C@]23C[C@H]2CCCC3)n1 ZINC000931470527 1128364086 /nfs/dbraw/zinc/36/40/86/1128364086.db2.gz MNLGKVKCZPWGTO-JMSVASOKSA-N 0 1 279.453 3.720 20 0 CHADMN Fc1ccc(CNc2ccc3nc[nH]c3n2)c(F)c1Cl ZINC001168504220 1128366124 /nfs/dbraw/zinc/36/61/24/1128366124.db2.gz ZNOUDLDGAUFCJA-UHFFFAOYSA-N 0 1 294.692 3.502 20 0 CHADMN CCC1(O)CCN(Cc2oc3ccccc3c2Cl)CC1 ZINC000638116079 1128415123 /nfs/dbraw/zinc/41/51/23/1128415123.db2.gz VOXYVDJIVNQYSW-UHFFFAOYSA-N 0 1 293.794 3.823 20 0 CHADMN CCc1onc(C)c1CN1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000931705875 1128378430 /nfs/dbraw/zinc/37/84/30/1128378430.db2.gz TWJIOZDLWWZJTE-GUYCJALGSA-N 0 1 282.387 3.980 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1nc(=O)c2sccc2[n-]1)C(C)(C)C ZINC000670269350 1128381138 /nfs/dbraw/zinc/38/11/38/1128381138.db2.gz WKEDHKJBGCKKDM-SNVBAGLBSA-N 0 1 293.436 3.511 20 0 CHADMN CC(C)N(C(=O)c1cccc2[nH]c(C(F)F)nc21)C1CC1 ZINC000931834509 1128383249 /nfs/dbraw/zinc/38/32/49/1128383249.db2.gz YCKBCMFVXJHORX-UHFFFAOYSA-N 0 1 293.317 3.514 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000763224087 1128383237 /nfs/dbraw/zinc/38/32/37/1128383237.db2.gz SQUFAVAACNWENQ-OLZOCXBDSA-N 0 1 294.443 3.541 20 0 CHADMN CCCCCC[C@@H](CC)C(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000763224085 1128383440 /nfs/dbraw/zinc/38/34/40/1128383440.db2.gz SQUFAVAACNWENQ-CHWSQXEVSA-N 0 1 294.443 3.541 20 0 CHADMN CCn1c2ccccc2nc1C[N@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000562207601 1128386241 /nfs/dbraw/zinc/38/62/41/1128386241.db2.gz MSXNRKVEJRWHTF-GOSISDBHSA-N 0 1 295.430 3.821 20 0 CHADMN CCn1c2ccccc2nc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC000562207601 1128386244 /nfs/dbraw/zinc/38/62/44/1128386244.db2.gz MSXNRKVEJRWHTF-GOSISDBHSA-N 0 1 295.430 3.821 20 0 CHADMN Clc1ccc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)cn1 ZINC000931923221 1128387314 /nfs/dbraw/zinc/38/73/14/1128387314.db2.gz QPUIUQAPJYKLIR-DOTOQJQBSA-N 0 1 284.790 3.509 20 0 CHADMN C[C@H](c1cccnc1)[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931915231 1128387990 /nfs/dbraw/zinc/38/79/90/1128387990.db2.gz FPIVTFSRTWLZEN-PWSUYJOCSA-N 0 1 288.288 3.509 20 0 CHADMN C[C@H](c1cccnc1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931915231 1128387993 /nfs/dbraw/zinc/38/79/93/1128387993.db2.gz FPIVTFSRTWLZEN-PWSUYJOCSA-N 0 1 288.288 3.509 20 0 CHADMN Clc1cncc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)c1 ZINC000931924222 1128388573 /nfs/dbraw/zinc/38/85/73/1128388573.db2.gz VDPPPPSQPFLJIB-DOTOQJQBSA-N 0 1 284.790 3.509 20 0 CHADMN COC(=O)c1ccc(CN2CCCC[C@@H]2c2ccccc2)o1 ZINC000562246114 1128390274 /nfs/dbraw/zinc/39/02/74/1128390274.db2.gz FLEKXRAUZWAXAE-MRXNPFEDSA-N 0 1 299.370 3.793 20 0 CHADMN Cl/C=C/CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000932219037 1128400788 /nfs/dbraw/zinc/40/07/88/1128400788.db2.gz QCIJKBNZZFTDLT-FAFAAHBOSA-N 0 1 263.768 3.775 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1C[C@@H](C)S[C@@H](C)C1 ZINC000562457538 1128403961 /nfs/dbraw/zinc/40/39/61/1128403961.db2.gz DSEJGGHUSPUTSJ-OUAUKWLOSA-N 0 1 271.376 3.852 20 0 CHADMN Cc1nc(CSc2nc(Cc3ccccc3)c(C)[nH]2)co1 ZINC000562474496 1128404963 /nfs/dbraw/zinc/40/49/63/1128404963.db2.gz WPOMXZGVEBLTES-UHFFFAOYSA-N 0 1 299.399 3.898 20 0 CHADMN C[C@H]1CCN(Cc2ccc(SC(F)F)cc2)CCO1 ZINC000932345729 1128405742 /nfs/dbraw/zinc/40/57/42/1128405742.db2.gz OUBOWJDNZJBJIB-NSHDSACASA-N 0 1 287.375 3.612 20 0 CHADMN COC(C)(C)[C@@H](C)NCc1nc(-c2ccsc2)oc1C ZINC000932370419 1128406563 /nfs/dbraw/zinc/40/65/63/1128406563.db2.gz RFTQYBVJBFFORN-LLVKDONJSA-N 0 1 294.420 3.615 20 0 CHADMN CCCCN1C(=O)N=NC1SCC(C)(C)CC(F)F ZINC000916096168 1128407228 /nfs/dbraw/zinc/40/72/28/1128407228.db2.gz PZZQLKAXCHQSOC-UHFFFAOYSA-N 0 1 293.383 3.557 20 0 CHADMN CCc1cnc(CN(C(C)C)C2CC(C)(C)C2)o1 ZINC000562727797 1128418533 /nfs/dbraw/zinc/41/85/33/1128418533.db2.gz ZYZFPPRKHFXFJS-UHFFFAOYSA-N 0 1 250.386 3.636 20 0 CHADMN CC(C)n1ccc(CN[C@@H](C)COCC2CCCCC2)n1 ZINC000932426048 1128409446 /nfs/dbraw/zinc/40/94/46/1128409446.db2.gz WPASHQNEVGVOHR-HNNXBMFYSA-N 0 1 293.455 3.539 20 0 CHADMN FC(F)(F)CC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC000932797433 1128421518 /nfs/dbraw/zinc/42/15/18/1128421518.db2.gz DZBIPMVETXSNHM-URWVXISESA-N 0 1 267.722 3.934 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC(O)(C2CCC2)CC1 ZINC000932821323 1128422750 /nfs/dbraw/zinc/42/27/50/1128422750.db2.gz LXZITOAHRSKGEA-GFCCVEGCSA-N 0 1 295.373 3.653 20 0 CHADMN COc1cccc(CN(C)Cc2cccc3ccccc32)n1 ZINC000496806288 1128423373 /nfs/dbraw/zinc/42/33/73/1128423373.db2.gz OTRCVEUPTRQOAV-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN CC(C)(CSc1nc(C(C)(C)C)n[nH]1)CC(F)F ZINC000916545796 1128423706 /nfs/dbraw/zinc/42/37/06/1128423706.db2.gz WRRCMWBMMCSLAN-UHFFFAOYSA-N 0 1 277.384 3.876 20 0 CHADMN CC(C)(CSc1n[nH]c(C(C)(C)C)n1)CC(F)F ZINC000916545796 1128423708 /nfs/dbraw/zinc/42/37/08/1128423708.db2.gz WRRCMWBMMCSLAN-UHFFFAOYSA-N 0 1 277.384 3.876 20 0 CHADMN Cc1csc(C2(NC[C@H]3CC3(Cl)Cl)CCC2)n1 ZINC000778128835 1128423879 /nfs/dbraw/zinc/42/38/79/1128423879.db2.gz PWSZPGHIIYNKAE-SECBINFHSA-N 0 1 291.247 3.614 20 0 CHADMN CC(C)(C)c1n[nH]c(SC[C@H]2CCC3(CCC3)CO2)n1 ZINC000916544286 1128424213 /nfs/dbraw/zinc/42/42/13/1128424213.db2.gz JOXKCPJZJLQMFR-LLVKDONJSA-N 0 1 295.452 3.544 20 0 CHADMN CC(C)(C)c1nc(SC[C@H]2CCC3(CCC3)CO2)n[nH]1 ZINC000916544286 1128424214 /nfs/dbraw/zinc/42/42/14/1128424214.db2.gz JOXKCPJZJLQMFR-LLVKDONJSA-N 0 1 295.452 3.544 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc(F)c1O ZINC000932920808 1128427125 /nfs/dbraw/zinc/42/71/25/1128427125.db2.gz GCHICTOWODTJON-JSGCOSHPSA-N 0 1 299.345 3.550 20 0 CHADMN COc1cccc(C[C@H](C)N=c2[nH]c3ccccc3s2)c1 ZINC000496969480 1128430108 /nfs/dbraw/zinc/43/01/08/1128430108.db2.gz XQTJTQGHWQARMJ-LBPRGKRZSA-N 0 1 298.411 3.770 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1C[C@H](C)C[C@@H](C)C1 ZINC000037386208 1128431638 /nfs/dbraw/zinc/43/16/38/1128431638.db2.gz UJFHZJYYKWGOMY-ZIAGYGMSSA-N 0 1 289.419 3.766 20 0 CHADMN CCc1onc(C)c1CN[C@H](C)c1ccc(OC)c(C)c1 ZINC000933484223 1128436405 /nfs/dbraw/zinc/43/64/05/1128436405.db2.gz FXJAINZMZIVGJH-GFCCVEGCSA-N 0 1 288.391 3.713 20 0 CHADMN CN[C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000038078461 1128438317 /nfs/dbraw/zinc/43/83/17/1128438317.db2.gz BAAOLFWLFHMOJS-HNNXBMFYSA-N 0 1 261.752 3.657 20 0 CHADMN c1ncc(CN2CCC[C@]3(C=Cc4ccccc4O3)C2)s1 ZINC000933656959 1128439839 /nfs/dbraw/zinc/43/98/39/1128439839.db2.gz SDFTUBOQJUNCET-KRWDZBQOSA-N 0 1 298.411 3.584 20 0 CHADMN Cc1nc2ccc(-c3c(F)cc(F)c(O)c3F)cc2[nH]1 ZINC001235996250 1128446338 /nfs/dbraw/zinc/44/63/38/1128446338.db2.gz ULVUXBFFPNYVHZ-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN FCCCN(Cc1csc(Br)c1)C1CC1 ZINC000125192024 1128448175 /nfs/dbraw/zinc/44/81/75/1128448175.db2.gz BHOJCLSPLKUWOC-UHFFFAOYSA-N 0 1 292.217 3.835 20 0 CHADMN c1cc(CN(Cc2cccc3cccnc32)C2CC2)co1 ZINC000934002965 1128449228 /nfs/dbraw/zinc/44/92/28/1128449228.db2.gz YDJWZAMDKJVTHN-UHFFFAOYSA-N 0 1 278.355 3.992 20 0 CHADMN CN(C)Cc1ccnc(NC(=O)C(C)(C)CC(C)(C)C)c1 ZINC000934159978 1128452709 /nfs/dbraw/zinc/45/27/09/1128452709.db2.gz KODIWWOVCKBEOJ-UHFFFAOYSA-N 0 1 291.439 3.544 20 0 CHADMN C[C@H](Cc1cccnc1)NCc1ncc(Cl)cc1Cl ZINC000934235327 1128456103 /nfs/dbraw/zinc/45/61/03/1128456103.db2.gz WAMKUDKMLBNKRS-SNVBAGLBSA-N 0 1 296.201 3.504 20 0 CHADMN Cc1cccnc1[C@@H](NCc1cccnc1)C(C)(C)C ZINC000934289453 1128456704 /nfs/dbraw/zinc/45/67/04/1128456704.db2.gz GJTGCNIFCOTTGO-MRXNPFEDSA-N 0 1 269.392 3.662 20 0 CHADMN Cc1cccnc1[C@H](NC/C=C\Cl)C(C)(C)C ZINC000934291405 1128457114 /nfs/dbraw/zinc/45/71/14/1128457114.db2.gz LPXDYVDRNNOXKB-WOLRVDTOSA-N 0 1 252.789 3.819 20 0 CHADMN CC(C)(C)CC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000126238641 1128462267 /nfs/dbraw/zinc/46/22/67/1128462267.db2.gz IVPRTDPFSHDAEP-CYBMUJFWSA-N 0 1 253.411 3.558 20 0 CHADMN CC(C)(C)CCN1CCO[C@@H](c2ccsc2)C1 ZINC000126238641 1128462270 /nfs/dbraw/zinc/46/22/70/1128462270.db2.gz IVPRTDPFSHDAEP-CYBMUJFWSA-N 0 1 253.411 3.558 20 0 CHADMN CC[N@@H+](C)Cc1cc2ccccc2nc1N1CCCCC1 ZINC000126318251 1128462478 /nfs/dbraw/zinc/46/24/78/1128462478.db2.gz YRQVTFWKWRDJDY-UHFFFAOYSA-N 0 1 283.419 3.677 20 0 CHADMN Cc1nc(CN[C@H](c2ccc(F)cc2)C(C)C)[nH]c1C ZINC000563438533 1128463630 /nfs/dbraw/zinc/46/36/30/1128463630.db2.gz BNUXFQJVWIMEMM-INIZCTEOSA-N 0 1 275.371 3.653 20 0 CHADMN CSCC(C)(C)NCc1csc(-c2ccco2)n1 ZINC000934677909 1128465475 /nfs/dbraw/zinc/46/54/75/1128465475.db2.gz SFTPYVYCZUZOPW-UHFFFAOYSA-N 0 1 282.434 3.634 20 0 CHADMN c1nc(CNC2(C3CCCCC3)CC2)oc1C1CC1 ZINC000934787684 1128469088 /nfs/dbraw/zinc/46/90/88/1128469088.db2.gz MUBRVEIEWRJNFH-UHFFFAOYSA-N 0 1 260.381 3.755 20 0 CHADMN O=c1[nH]c(CNC2(C3CCCCC3)CC2)nc2ccccc21 ZINC000934788528 1128469521 /nfs/dbraw/zinc/46/95/21/1128469521.db2.gz UALYQUVFZLQCLM-UHFFFAOYSA-N 0 1 297.402 3.538 20 0 CHADMN CCOc1ccc2nc(SCc3coc(C)n3)[nH]c2c1 ZINC000563852969 1128482288 /nfs/dbraw/zinc/48/22/88/1128482288.db2.gz ZNHWEKMQEYOESP-UHFFFAOYSA-N 0 1 289.360 3.550 20 0 CHADMN Clc1ccc(CNCc2ccc3c(n2)CCC3)cc1 ZINC000563869769 1128482975 /nfs/dbraw/zinc/48/29/75/1128482975.db2.gz NSKROMFOPYKTEM-UHFFFAOYSA-N 0 1 272.779 3.514 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3nc(C)sc32)c(C)o1 ZINC000089725581 1128493035 /nfs/dbraw/zinc/49/30/35/1128493035.db2.gz ZZQWNQLXHZIHEW-ZDUSSCGKSA-N 0 1 276.405 3.829 20 0 CHADMN Cc1cc(CN[C@@H]2c3ccccc3O[C@H]2C)c(C)s1 ZINC000564123118 1128494363 /nfs/dbraw/zinc/49/43/63/1128494363.db2.gz DRFLCBZGNUPJRZ-ZBEGNZNMSA-N 0 1 273.401 3.977 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cncs2)cc1F ZINC000128606210 1128506902 /nfs/dbraw/zinc/50/69/02/1128506902.db2.gz SFRPGHHGTMWSBO-NXEZZACHSA-N 0 1 280.368 3.703 20 0 CHADMN CC1(C)CCN1Cc1cnc(CCc2ccccc2)s1 ZINC000564527221 1128510956 /nfs/dbraw/zinc/51/09/56/1128510956.db2.gz MCQBZHFJYQEYCV-UHFFFAOYSA-N 0 1 286.444 3.913 20 0 CHADMN CCc1ccc([C@@H](C)NC[C@H](O)c2c(F)cccc2F)o1 ZINC000090078637 1128511060 /nfs/dbraw/zinc/51/10/60/1128511060.db2.gz RWYIKRRQGDCIEL-YGRLFVJLSA-N 0 1 295.329 3.504 20 0 CHADMN CN(Cc1n[nH]c(C(C)(C)C)n1)[C@H]1CCCc2ccccc21 ZINC000564770987 1128515606 /nfs/dbraw/zinc/51/56/06/1128515606.db2.gz CCVVDVRBKNXHPP-HNNXBMFYSA-N 0 1 298.434 3.612 20 0 CHADMN CCc1nn(C)c(CC)c1CN(C)Cc1cc(C)cc(C)c1 ZINC000564810244 1128516208 /nfs/dbraw/zinc/51/62/08/1128516208.db2.gz KJBQBQGHOOJCGM-UHFFFAOYSA-N 0 1 299.462 3.794 20 0 CHADMN CN(c1ccccc1)c1ccc(CNC2(CF)CCC2)cn1 ZINC000564960336 1128517519 /nfs/dbraw/zinc/51/75/19/1128517519.db2.gz NWOCMNNHUORMLA-UHFFFAOYSA-N 0 1 299.393 3.831 20 0 CHADMN CC(C)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)no1 ZINC000923758276 1128518288 /nfs/dbraw/zinc/51/82/88/1128518288.db2.gz HRAKXLLQTLMQQR-CYBMUJFWSA-N 0 1 291.782 3.935 20 0 CHADMN Cc1oncc1CN[C@H](C)c1ccccc1C(F)(F)F ZINC000129905197 1128558842 /nfs/dbraw/zinc/55/88/42/1128558842.db2.gz URMDANINCGXHPN-SECBINFHSA-N 0 1 284.281 3.853 20 0 CHADMN CCOc1cccc(Cl)c1CN1CC[C@@H](OC)C[C@@H]1C ZINC000565162812 1128520813 /nfs/dbraw/zinc/52/08/13/1128520813.db2.gz IQPWCIAEGICNDL-QWHCGFSZSA-N 0 1 297.826 3.738 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000565256225 1128522853 /nfs/dbraw/zinc/52/28/53/1128522853.db2.gz XBFBUUMMHSNFQO-HZPDHXFCSA-N 0 1 287.403 3.509 20 0 CHADMN O=C([O-])[C@H]1CC[C@@H](c2ccccc2)[N@H+]1CCc1ccccc1 ZINC000565256332 1128523108 /nfs/dbraw/zinc/52/31/08/1128523108.db2.gz YGLSYAOBQSTHOT-ZWKOTPCHSA-N 0 1 295.382 3.519 20 0 CHADMN Cc1ccc(-c2noc(CN[C@H]3CCCC3(C)C)n2)cc1 ZINC000565281123 1128523114 /nfs/dbraw/zinc/52/31/14/1128523114.db2.gz LVZIECJGHAYUTJ-AWEZNQCLSA-N 0 1 285.391 3.713 20 0 CHADMN Cc1cn[nH]c1CSc1nc(C(C)C)cs1 ZINC000917935851 1128525419 /nfs/dbraw/zinc/52/54/19/1128525419.db2.gz CYNFRIKCBUGERX-UHFFFAOYSA-N 0 1 253.396 3.590 20 0 CHADMN Cc1ccnc([C@H]2CCN(Cc3nc4ccccc4o3)C2)c1 ZINC000565371880 1128525626 /nfs/dbraw/zinc/52/56/26/1128525626.db2.gz TZTZOXGASPMMRF-AWEZNQCLSA-N 0 1 293.370 3.521 20 0 CHADMN C[N@@H+](CCCCCC(=O)[O-])[C@H]1CCCc2ccccc21 ZINC000565428548 1128525967 /nfs/dbraw/zinc/52/59/67/1128525967.db2.gz YEANLKFWWYIFRI-INIZCTEOSA-N 0 1 275.392 3.641 20 0 CHADMN C[C@@H]1CC[C@]2(CCN(Cc3ccc(Cl)cn3)C2)C1 ZINC000565560921 1128528188 /nfs/dbraw/zinc/52/81/88/1128528188.db2.gz ZHURYDBNJFKHJN-DOMZBBRYSA-N 0 1 264.800 3.747 20 0 CHADMN CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000565662777 1128530284 /nfs/dbraw/zinc/53/02/84/1128530284.db2.gz LLKODNFPLBDTFI-NSHDSACASA-N 0 1 281.421 3.847 20 0 CHADMN CCc1noc(C)c1CN[C@H]1CCc2c1cccc2Cl ZINC000565731345 1128531958 /nfs/dbraw/zinc/53/19/58/1128531958.db2.gz ZSGNYEDUIQLOOJ-INIZCTEOSA-N 0 1 290.794 3.976 20 0 CHADMN Cc1ccccc1-c1nc(CN(CC2CC2)CC2CC2)no1 ZINC000129188588 1128534011 /nfs/dbraw/zinc/53/40/11/1128534011.db2.gz PBYLVACYTDDWCW-UHFFFAOYSA-N 0 1 297.402 3.667 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1CCCCCC(=O)[O-] ZINC000565898414 1128534245 /nfs/dbraw/zinc/53/42/45/1128534245.db2.gz JIPLXLBWTZRFSF-UONOGXRCSA-N 0 1 255.402 3.532 20 0 CHADMN Cc1cc(CN[C@H](c2ncc[nH]2)C2CCCCC2)cc(C)n1 ZINC000565886193 1128534300 /nfs/dbraw/zinc/53/43/00/1128534300.db2.gz LPDJAIIMXIVKOE-KRWDZBQOSA-N 0 1 298.434 3.833 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](CCC)CCc1cccc(F)c1 ZINC000566015515 1128536691 /nfs/dbraw/zinc/53/66/91/1128536691.db2.gz ZFTOQOYFMXOJGS-MRXNPFEDSA-N 0 1 295.398 3.724 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000566175203 1128539901 /nfs/dbraw/zinc/53/99/01/1128539901.db2.gz INPHRWXQCNIBPR-GYSYKLTISA-N 0 1 283.774 3.651 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000566358794 1128542590 /nfs/dbraw/zinc/54/25/90/1128542590.db2.gz MPKRWABDDJRPAW-WQGACYEGSA-N 0 1 291.366 3.677 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])C[C@@H]1C ZINC000566360402 1128542717 /nfs/dbraw/zinc/54/27/17/1128542717.db2.gz YFNXCGQLJQVTCW-MNOVXSKESA-N 0 1 281.783 3.516 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCc1ccccc1 ZINC000918488154 1128546396 /nfs/dbraw/zinc/54/63/96/1128546396.db2.gz GIUNEBWWOFQVJE-UHFFFAOYSA-N 0 1 292.338 3.742 20 0 CHADMN Cc1oncc1CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000129696240 1128550907 /nfs/dbraw/zinc/55/09/07/1128550907.db2.gz OECZQKQHOWQNMG-HNNXBMFYSA-N 0 1 276.767 3.877 20 0 CHADMN c1cc(CNCc2cccc(OCc3ccccn3)c2)co1 ZINC000069833146 1128555397 /nfs/dbraw/zinc/55/53/97/1128555397.db2.gz SXPSCBLWMRZHTB-UHFFFAOYSA-N 0 1 294.354 3.543 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000566978975 1128556032 /nfs/dbraw/zinc/55/60/32/1128556032.db2.gz HWTOSTWVNQRIOZ-PBHICJAKSA-N 0 1 295.382 3.763 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1CC12CCCCC2 ZINC000567045230 1128556389 /nfs/dbraw/zinc/55/63/89/1128556389.db2.gz OJBZJVNHZQCHIL-ZDUSSCGKSA-N 0 1 283.375 3.780 20 0 CHADMN CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ncccc1[O-] ZINC000567026164 1128556801 /nfs/dbraw/zinc/55/68/01/1128556801.db2.gz VGOSFHGJTWIUBI-SJLPKXTDSA-N 0 1 296.414 3.945 20 0 CHADMN Cc1cccc([C@@H](C)[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000567087442 1128557393 /nfs/dbraw/zinc/55/73/93/1128557393.db2.gz WGQSHQYSBKYZFL-CJNGLKHVSA-N 0 1 289.810 3.853 20 0 CHADMN COc1ccccc1C1(NCc2ccc3[nH]ccc3c2)CC1 ZINC000655788366 1128563466 /nfs/dbraw/zinc/56/34/66/1128563466.db2.gz HYQYAMZRHRYKLT-UHFFFAOYSA-N 0 1 292.382 3.955 20 0 CHADMN CCc1ccc(CN2C[C@@H](C)[C@@H]2c2ccccc2)nc1 ZINC000567490763 1128565866 /nfs/dbraw/zinc/56/58/66/1128565866.db2.gz ZIUAXIZBNBMURI-RDTXWAMCSA-N 0 1 266.388 3.837 20 0 CHADMN CC(C)c1nc(CN[C@@H](C)c2cccnc2)c2ccccn21 ZINC000567507951 1128566029 /nfs/dbraw/zinc/56/60/29/1128566029.db2.gz WOPLWZUQLLZNAB-AWEZNQCLSA-N 0 1 294.402 3.704 20 0 CHADMN CCc1nc2c(s1)[C@@H]([N@@H+](C)C/C=C(/C)COC)CCC2 ZINC000930035875 1128567259 /nfs/dbraw/zinc/56/72/59/1128567259.db2.gz WXFUXMGSHMRTNW-UQTJOTSZSA-N 0 1 294.464 3.607 20 0 CHADMN CC(C)(C)c1cnc(CN[C@@H]2C=CCCC2)s1 ZINC000567557322 1128567354 /nfs/dbraw/zinc/56/73/54/1128567354.db2.gz UCZLWVMAFKFXHR-LLVKDONJSA-N 0 1 250.411 3.639 20 0 CHADMN CCOc1cccc(Cl)c1CN1CC[C@H](OC)[C@@H](C)C1 ZINC000569985822 1128613597 /nfs/dbraw/zinc/61/35/97/1128613597.db2.gz JUYFDKOQZFWETI-WFASDCNBSA-N 0 1 297.826 3.596 20 0 CHADMN CN(Cc1nnc(-c2cccc(Cl)c2)o1)C(C)(C)C ZINC000567810640 1128571827 /nfs/dbraw/zinc/57/18/27/1128571827.db2.gz AIDRDRSOVNZSSS-UHFFFAOYSA-N 0 1 279.771 3.620 20 0 CHADMN C[C@@H]1CN(C[C@@H]2CCC3(CCCCC3)O2)CC2(CCC2)O1 ZINC000567811186 1128572159 /nfs/dbraw/zinc/57/21/59/1128572159.db2.gz WLEMEVRCAQOBPF-CVEARBPZSA-N 0 1 293.451 3.512 20 0 CHADMN Cc1cccc2nc(CNC(=O)CC3CCCCCC3)[nH]c21 ZINC000498418182 1128573056 /nfs/dbraw/zinc/57/30/56/1128573056.db2.gz XREMRWHLIMHYAC-UHFFFAOYSA-N 0 1 299.418 3.848 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1C(=O)c1c(O)cccc1F ZINC000130225544 1128574295 /nfs/dbraw/zinc/57/42/95/1128574295.db2.gz JXKJARXJRBRECL-DGCLKSJQSA-N 0 1 279.355 3.572 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2NCCc1cc2ccccc2o1 ZINC000925456797 1128574957 /nfs/dbraw/zinc/57/49/57/1128574957.db2.gz FYYACFJPBXEUBL-OAHLLOKOSA-N 0 1 296.370 3.939 20 0 CHADMN Fc1cccc([C@@H]2C[C@@H]2N2CCC=C(c3ccccn3)C2)c1 ZINC000568177077 1128579353 /nfs/dbraw/zinc/57/93/53/1128579353.db2.gz MEYCSWQPMSYCEQ-HKUYNNGSSA-N 0 1 294.373 3.866 20 0 CHADMN CCC(C)(C)CC[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000570043767 1128614807 /nfs/dbraw/zinc/61/48/07/1128614807.db2.gz YPERSHFPDPNQQM-CVEARBPZSA-N 0 1 289.419 3.613 20 0 CHADMN c1cn2c(CN3CC=CCC3)c(-c3ccccc3)nc2s1 ZINC000778651163 1128587006 /nfs/dbraw/zinc/58/70/06/1128587006.db2.gz USJXGQLSTVXBQF-UHFFFAOYSA-N 0 1 295.411 3.825 20 0 CHADMN CSc1ccc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)s1 ZINC000568575092 1128587814 /nfs/dbraw/zinc/58/78/14/1128587814.db2.gz OXYKQTPIXARXGF-TZMCWYRMSA-N 0 1 297.489 3.859 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@@H](C)c1ccccc1OC(C)C ZINC000568881411 1128593632 /nfs/dbraw/zinc/59/36/32/1128593632.db2.gz QNJCYKZNQNALAJ-GJZGRUSLSA-N 0 1 299.418 3.984 20 0 CHADMN CC(C)c1ccc(O[C@H](C)CNCc2cscn2)cc1 ZINC000569014005 1128596376 /nfs/dbraw/zinc/59/63/76/1128596376.db2.gz GTILFNBFCJHJFY-CYBMUJFWSA-N 0 1 290.432 3.824 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(F)cc1)CO2 ZINC000130816507 1128597459 /nfs/dbraw/zinc/59/74/59/1128597459.db2.gz LPANUDZLNWWJNA-BLLLJJGKSA-N 0 1 271.335 3.918 20 0 CHADMN CCC[C@H](C[N@H+]1CCC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000569092605 1128598268 /nfs/dbraw/zinc/59/82/68/1128598268.db2.gz WDMAEYWLTGUHMJ-DOTOQJQBSA-N 0 1 289.419 3.757 20 0 CHADMN CCC[C@@H](C[N@H+]1CCC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000569092608 1128598621 /nfs/dbraw/zinc/59/86/21/1128598621.db2.gz WDMAEYWLTGUHMJ-RDJZCZTQSA-N 0 1 289.419 3.757 20 0 CHADMN CCc1cc2oc(=O)cc(CN3CCCC3)c2cc1Cl ZINC000043304412 1128601587 /nfs/dbraw/zinc/60/15/87/1128601587.db2.gz WTYKUNNDWNKAOA-UHFFFAOYSA-N 0 1 291.778 3.605 20 0 CHADMN C[C@H](CC(=O)[O-])[N@@H+](C)CCCc1cccc2ccccc21 ZINC000569260365 1128602890 /nfs/dbraw/zinc/60/28/90/1128602890.db2.gz SAPPNDAHIKOBNI-CQSZACIVSA-N 0 1 285.387 3.567 20 0 CHADMN CC(C)CC[C@@H](O)CN1CCc2cccc(F)c2[C@H]1C ZINC000569660673 1128607204 /nfs/dbraw/zinc/60/72/04/1128607204.db2.gz WVDUVPVVTSWRMK-UKRRQHHQSA-N 0 1 279.399 3.542 20 0 CHADMN C[C@@H](CCNc1ccc2nn[nH]c2c1)c1ccccc1 ZINC000569915946 1128612048 /nfs/dbraw/zinc/61/20/48/1128612048.db2.gz UXELDSMSMGGOPM-LBPRGKRZSA-N 0 1 266.348 3.564 20 0 CHADMN C[C@@H](CCNc1ccc2n[nH]nc2c1)c1ccccc1 ZINC000569915946 1128612050 /nfs/dbraw/zinc/61/20/50/1128612050.db2.gz UXELDSMSMGGOPM-LBPRGKRZSA-N 0 1 266.348 3.564 20 0 CHADMN CN(CCOc1ccccc1)Cc1ccc(C(F)F)nc1 ZINC000637811768 1129231541 /nfs/dbraw/zinc/23/15/41/1129231541.db2.gz NLNMDDSIHQYQAX-UHFFFAOYSA-N 0 1 292.329 3.530 20 0 CHADMN CC(C)OC(=O)[C@@H]1CCCN1CC[C@H](C)c1ccccc1 ZINC000570126770 1128617079 /nfs/dbraw/zinc/61/70/79/1128617079.db2.gz LCPNVKQBDIAJPE-RDJZCZTQSA-N 0 1 289.419 3.596 20 0 CHADMN CCC(CC)C[N@@H+](CC)[C@H](C(=O)[O-])c1ccccc1C ZINC000570168709 1128617776 /nfs/dbraw/zinc/61/77/76/1128617776.db2.gz HHEFZYFRRLTPIC-INIZCTEOSA-N 0 1 277.408 3.879 20 0 CHADMN CC(C)(NCc1ccc2c(n1)CCC2)c1ccccc1 ZINC000556775050 1128621923 /nfs/dbraw/zinc/62/19/23/1128621923.db2.gz KQOGIRPGRBZZBG-UHFFFAOYSA-N 0 1 266.388 3.595 20 0 CHADMN CCc1cccc(OCCNC(C)(C)c2nccs2)c1 ZINC000072662761 1128627727 /nfs/dbraw/zinc/62/77/27/1128627727.db2.gz YBVFSDCROFSQKW-UHFFFAOYSA-N 0 1 290.432 3.609 20 0 CHADMN CC/C=C\CC[N@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000570689178 1128629586 /nfs/dbraw/zinc/62/95/86/1128629586.db2.gz JCSJMYCCUXDLQA-XVWMLYKFSA-N 0 1 275.392 3.566 20 0 CHADMN C[C@@H](Cc1ccsc1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000570717602 1128630654 /nfs/dbraw/zinc/63/06/54/1128630654.db2.gz HUGRIGATXMMALT-JSGCOSHPSA-N 0 1 275.421 3.629 20 0 CHADMN Cc1cc(C)cc(C[C@@H](C)N[C@@H](C)c2ncco2)c1 ZINC000925472342 1128631247 /nfs/dbraw/zinc/63/12/47/1128631247.db2.gz SAJNMLCFPUOQGG-KGLIPLIRSA-N 0 1 258.365 3.573 20 0 CHADMN CC/C=C/CNCc1nc(C(C)C)n2ccccc12 ZINC000570973277 1128634936 /nfs/dbraw/zinc/63/49/36/1128634936.db2.gz IISIEVWMWXALHV-FNORWQNLSA-N 0 1 257.381 3.514 20 0 CHADMN C[C@@H](CCc1ccc(F)cc1F)N[C@@H](C)c1ccon1 ZINC000556891916 1128636813 /nfs/dbraw/zinc/63/68/13/1128636813.db2.gz HJMXLSMDBQGALU-QWRGUYRKSA-N 0 1 280.318 3.625 20 0 CHADMN Cc1nc(CN[C@@H]2CCC23CCCC3)nc2ccccc12 ZINC000571943661 1128640426 /nfs/dbraw/zinc/64/04/26/1128640426.db2.gz BDZPYIASVXYSPI-MRXNPFEDSA-N 0 1 281.403 3.751 20 0 CHADMN CC(C)(C)c1cnc(CN2CC(C)(C)[C@@H]3CCC[C@H]32)o1 ZINC000572546030 1128645531 /nfs/dbraw/zinc/64/55/31/1128645531.db2.gz IXRCSWXGEUCRII-CHWSQXEVSA-N 0 1 276.424 3.983 20 0 CHADMN FCCCN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000132080221 1128643054 /nfs/dbraw/zinc/64/30/54/1128643054.db2.gz YEKHXSIPLPDJEG-CYBMUJFWSA-N 0 1 273.804 3.790 20 0 CHADMN Cc1cc(OC[C@@H]2C[C@H]2c2ccccc2)cc(C)n1 ZINC000572332533 1128644855 /nfs/dbraw/zinc/64/48/55/1128644855.db2.gz JLRFNTORHLHEPN-RDJZCZTQSA-N 0 1 253.345 3.881 20 0 CHADMN Clc1cc(Cl)cc(CN2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000572838932 1128648716 /nfs/dbraw/zinc/64/87/16/1128648716.db2.gz VXLNKZWPKNJPDB-RISCZKNCSA-N 0 1 286.202 3.604 20 0 CHADMN Cc1noc(C)c1C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000132443635 1128649528 /nfs/dbraw/zinc/64/95/28/1128649528.db2.gz ODDMYEACSGUWPS-UHFFFAOYSA-N 0 1 288.366 3.843 20 0 CHADMN Cc1noc(C)c1CN(Cc1ccc(F)cc1)CC1CC1 ZINC000132443635 1128649532 /nfs/dbraw/zinc/64/95/32/1128649532.db2.gz ODDMYEACSGUWPS-UHFFFAOYSA-N 0 1 288.366 3.843 20 0 CHADMN CCCCN(C)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000073601402 1128645935 /nfs/dbraw/zinc/64/59/35/1128645935.db2.gz OZLCGVQNOOOOCF-GFCCVEGCSA-N 0 1 282.815 3.707 20 0 CHADMN CCN(Cc1nc(C2CCCC2)no1)C1CCCCC1 ZINC000132250887 1128645996 /nfs/dbraw/zinc/64/59/96/1128645996.db2.gz YLCYOIFWJGPATI-UHFFFAOYSA-N 0 1 277.412 3.882 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1nc(C(C)(C)C)cs1 ZINC000572688246 1128646735 /nfs/dbraw/zinc/64/67/35/1128646735.db2.gz LSJCRXHRIBOJJW-WDEREUQCSA-N 0 1 252.427 3.671 20 0 CHADMN C[C@H](Cc1ccsc1)Nc1cc2c(cn1)CCC2 ZINC000556958007 1128651608 /nfs/dbraw/zinc/65/16/08/1128651608.db2.gz BGNZVZRLLRHKNJ-LLVKDONJSA-N 0 1 258.390 3.675 20 0 CHADMN C[C@H]1CCC[C@@H](CCSc2nc(C3CC3)n[nH]2)C1 ZINC000556957276 1128651874 /nfs/dbraw/zinc/65/18/74/1128651874.db2.gz LPEBRFFXPCGKAV-QWRGUYRKSA-N 0 1 265.426 3.991 20 0 CHADMN C[C@H]1CCC[C@@H](CCSc2n[nH]c(C3CC3)n2)C1 ZINC000556957276 1128651875 /nfs/dbraw/zinc/65/18/75/1128651875.db2.gz LPEBRFFXPCGKAV-QWRGUYRKSA-N 0 1 265.426 3.991 20 0 CHADMN CC(C)[C@@H]1CN(C/C=C/c2ccc(F)cc2F)CCCO1 ZINC000556980407 1128655749 /nfs/dbraw/zinc/65/57/49/1128655749.db2.gz HNDMJLABNPBFDF-RCFWFJCLSA-N 0 1 295.373 3.725 20 0 CHADMN Cc1ccccc1[C@@H](C)N(C)Cc1cnc(Cl)cn1 ZINC000799116407 1128657673 /nfs/dbraw/zinc/65/76/73/1128657673.db2.gz KKUQZHRSUVRYLS-GFCCVEGCSA-N 0 1 275.783 3.631 20 0 CHADMN CCCCN(CC)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000132635174 1128658174 /nfs/dbraw/zinc/65/81/74/1128658174.db2.gz AQFNEFXBTKKTSN-LLVKDONJSA-N 0 1 253.390 3.550 20 0 CHADMN CCCCC[C@H](C)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000047220757 1128668044 /nfs/dbraw/zinc/66/80/44/1128668044.db2.gz RZWXWPTXTJLUFE-AWEZNQCLSA-N 0 1 294.439 3.820 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccc(-n3ccnc3)cc2)o1 ZINC000158423601 1128668078 /nfs/dbraw/zinc/66/80/78/1128668078.db2.gz BHMUDOPXLAJSBL-AWEZNQCLSA-N 0 1 295.386 3.879 20 0 CHADMN CC[C@H](C)CN(C)CC(=O)Nc1cccc(C(C)C)c1 ZINC000600655188 1128677045 /nfs/dbraw/zinc/67/70/45/1128677045.db2.gz HANRSXPZTQFLHZ-AWEZNQCLSA-N 0 1 276.424 3.726 20 0 CHADMN Fc1ccc(F)c(CN2CC[C@@H](c3ccco3)C2)c1 ZINC000600694307 1128678552 /nfs/dbraw/zinc/67/85/52/1128678552.db2.gz UNTJKCNKWMSIRB-LLVKDONJSA-N 0 1 263.287 3.547 20 0 CHADMN CC[C@@H]1CN(CCSc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000600701004 1128678932 /nfs/dbraw/zinc/67/89/32/1128678932.db2.gz QIYQNMHSVCBANB-TZMCWYRMSA-N 0 1 299.867 3.931 20 0 CHADMN Cc1noc([C@@H](C)N2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000600718924 1128679581 /nfs/dbraw/zinc/67/95/81/1128679581.db2.gz PSKQMFZOFZCDCA-MFKMUULPSA-N 0 1 291.782 3.582 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000920453157 1128681889 /nfs/dbraw/zinc/68/18/89/1128681889.db2.gz BBKPCTWIMKUOBO-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@H]1NCc1ccc(Cl)o1 ZINC000600815632 1128683206 /nfs/dbraw/zinc/68/32/06/1128683206.db2.gz IFDSYQIPZFQUMC-BMIGLBTASA-N 0 1 261.752 3.956 20 0 CHADMN CCCC=CC(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC000920743230 1128688978 /nfs/dbraw/zinc/68/89/78/1128688978.db2.gz XNFLQMUHKWFTHS-WDZFZDKYSA-N 0 1 298.390 3.890 20 0 CHADMN C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc(F)c1O ZINC001127547307 1128693823 /nfs/dbraw/zinc/69/38/23/1128693823.db2.gz BMZGVIKRKYAVPO-ZBEGNZNMSA-N 0 1 299.345 3.585 20 0 CHADMN COc1c(F)cc(CN2CC[C@H](C)C[C@H]2C)cc1F ZINC001138425434 1128700304 /nfs/dbraw/zinc/70/03/04/1128700304.db2.gz SBGGMUKSVOQQCM-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN COc1c(F)cc(CN2CC[C@H](C)C[C@@H]2C)cc1F ZINC001138425433 1128700696 /nfs/dbraw/zinc/70/06/96/1128700696.db2.gz SBGGMUKSVOQQCM-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN c1ccc(CN(C[C@H]2CCC3(CCCC3)O2)C2CC2)nc1 ZINC000577965547 1128701079 /nfs/dbraw/zinc/70/10/79/1128701079.db2.gz GWENRJOCFNPGIA-QGZVFWFLSA-N 0 1 286.419 3.538 20 0 CHADMN CC=CC(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000921282497 1128706844 /nfs/dbraw/zinc/70/68/44/1128706844.db2.gz FUENWPHFBMILIC-NSCUHMNNSA-N 0 1 295.317 3.884 20 0 CHADMN Cc1ccccc1[C@H](C)NCc1cn2ccsc2n1 ZINC000134441204 1128708313 /nfs/dbraw/zinc/70/83/13/1128708313.db2.gz JFCYSILSFGZAKI-LBPRGKRZSA-N 0 1 271.389 3.555 20 0 CHADMN Cc1cccc(CCC[N@@H+](CC(=O)[O-])Cc2ccccc2)c1 ZINC000578137413 1128708575 /nfs/dbraw/zinc/70/85/75/1128708575.db2.gz HQBOEAMEBFURRE-UHFFFAOYSA-N 0 1 297.398 3.514 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000578137548 1128709087 /nfs/dbraw/zinc/70/90/87/1128709087.db2.gz MDICOQFBUIYAOV-JGGQBBKZSA-N 0 1 293.382 3.503 20 0 CHADMN CCOc1cccc(CNCc2cc(C)cc(Cl)n2)c1 ZINC000282143677 1128715709 /nfs/dbraw/zinc/71/57/09/1128715709.db2.gz WJRBWGXPHOUNJC-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN CCn1nc(C)c(CNCc2ccc(SC)s2)c1C ZINC000578373859 1128715825 /nfs/dbraw/zinc/71/58/25/1128715825.db2.gz ULIDSABTHGVUJI-UHFFFAOYSA-N 0 1 295.477 3.593 20 0 CHADMN Fc1cccc(CN2CC[C@H]3CCC[C@@H]32)c1Br ZINC000378717003 1128715961 /nfs/dbraw/zinc/71/59/61/1128715961.db2.gz ALMRFYSZGNQATA-MFKMUULPSA-N 0 1 298.199 3.963 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cc(C(=O)OC)co1 ZINC000609625667 1128719427 /nfs/dbraw/zinc/71/94/27/1128719427.db2.gz MVMWGQRKOCDTIH-KRWDZBQOSA-N 0 1 299.370 3.576 20 0 CHADMN Cc1nsc(C)c1CN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000578421386 1128717745 /nfs/dbraw/zinc/71/77/45/1128717745.db2.gz VQEZTQSGYAROIZ-LLVKDONJSA-N 0 1 292.370 3.923 20 0 CHADMN C[C@@H](CC(=O)OC(C)(C)C)N[C@@H](C)c1cc(F)ccc1F ZINC000609574659 1128718247 /nfs/dbraw/zinc/71/82/47/1128718247.db2.gz OBKAYRCAHJGCAQ-QWRGUYRKSA-N 0 1 299.361 3.736 20 0 CHADMN CCN(Cc1cn(C)nc1C(F)F)Cc1ccccc1C ZINC000274511098 1117748338 /nfs/dbraw/zinc/74/83/38/1117748338.db2.gz VFMNVBSGJIQCKJ-UHFFFAOYSA-N 0 1 293.361 3.688 20 0 CHADMN CC[C@@H](C)N1CCN(C(=O)C[C@H]2CCCC(C)(C)C2)CC1 ZINC000622657553 1117753211 /nfs/dbraw/zinc/75/32/11/1117753211.db2.gz CWGCRDDFPOVELT-HZPDHXFCSA-N 0 1 294.483 3.536 20 0 CHADMN CC[C@@H](C)N1CCN(C(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000622657551 1117753867 /nfs/dbraw/zinc/75/38/67/1117753867.db2.gz CWGCRDDFPOVELT-CVEARBPZSA-N 0 1 294.483 3.536 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2ccccn2)cc1C ZINC000034992553 1117757638 /nfs/dbraw/zinc/75/76/38/1117757638.db2.gz IUIUBBKDVMGZMQ-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN CC[C@@H](NC[C@@H](O)c1cc(C)cc(C)c1)c1nccs1 ZINC000185077396 1117759504 /nfs/dbraw/zinc/75/95/04/1117759504.db2.gz RYMXFKFMZTXOLT-HUUCEWRRSA-N 0 1 290.432 3.534 20 0 CHADMN CCCCC[C@H](C)NCc1csc(N(CC)C(C)=O)n1 ZINC000035040296 1117761925 /nfs/dbraw/zinc/76/19/25/1117761925.db2.gz XQVRBGWCRKQGJK-LBPRGKRZSA-N 0 1 297.468 3.574 20 0 CHADMN CC(C)=CCCC1=CC[C@@H](CN2CCN(C#N)CC2)CC1 ZINC001207937668 1117765232 /nfs/dbraw/zinc/76/52/32/1117765232.db2.gz NLJKAYKWJBENIB-GOSISDBHSA-N 0 1 287.451 3.558 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1ccc(F)c(F)c1 ZINC000274602606 1117767537 /nfs/dbraw/zinc/76/75/37/1117767537.db2.gz QNWRCTHFRBPCAV-SECBINFHSA-N 0 1 283.343 3.886 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2nccn2C(C)C)CC1 ZINC000172178005 1117773222 /nfs/dbraw/zinc/77/32/22/1117773222.db2.gz VXQZIKXPADNQGJ-HNNXBMFYSA-N 0 1 263.429 3.722 20 0 CHADMN Fc1cc(CNc2ccc3c[nH]nc3c2)cc(F)c1F ZINC000062707473 1117781552 /nfs/dbraw/zinc/78/15/52/1117781552.db2.gz VDYFUKFAJCFHIK-UHFFFAOYSA-N 0 1 277.249 3.592 20 0 CHADMN CC(C)[C@@H]1CCN([C@@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000671241874 1117783538 /nfs/dbraw/zinc/78/35/38/1117783538.db2.gz MTHBDLJXHRINGP-DZGCQCFKSA-N 0 1 285.391 3.776 20 0 CHADMN OCC[C@@H]1CCCCCN1Cc1ccc(Cl)cc1F ZINC000671248435 1117785177 /nfs/dbraw/zinc/78/51/77/1117785177.db2.gz SHDGLQUAJOXFCW-AWEZNQCLSA-N 0 1 285.790 3.606 20 0 CHADMN OCC[C@@H]1CCCCCN1Cc1cccc(Cl)c1F ZINC000671247157 1117785568 /nfs/dbraw/zinc/78/55/68/1117785568.db2.gz XJIIEKVZUOFGBY-ZDUSSCGKSA-N 0 1 285.790 3.606 20 0 CHADMN C[C@@H]([NH2+]CCOC1CCCC1)c1cc(Cl)ccc1[O-] ZINC000185211707 1117787097 /nfs/dbraw/zinc/78/70/97/1117787097.db2.gz GVTXTNUCXZXACO-LLVKDONJSA-N 0 1 283.799 3.655 20 0 CHADMN CCCCOCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185228821 1117792591 /nfs/dbraw/zinc/79/25/91/1117792591.db2.gz SDKRSFHJERQOFS-LLVKDONJSA-N 0 1 271.788 3.513 20 0 CHADMN COc1cc(CN[C@H]2CCc3cc(Cl)ccc32)sn1 ZINC000399086729 1117793056 /nfs/dbraw/zinc/79/30/56/1117793056.db2.gz VBXTZHRDXRCSSY-ZDUSSCGKSA-N 0 1 294.807 3.582 20 0 CHADMN Fc1cccc(F)c1CCN1CC(c2ccccc2)C1 ZINC001208116984 1117797660 /nfs/dbraw/zinc/79/76/60/1117797660.db2.gz ORWILERBOSUJBR-UHFFFAOYSA-N 0 1 273.326 3.607 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1cc(C)ccn1 ZINC000683144287 1117797937 /nfs/dbraw/zinc/79/79/37/1117797937.db2.gz GKRMQPONFMNQEZ-WJDWOHSUSA-N 0 1 266.388 3.925 20 0 CHADMN CC1=C[C@H](C)C[C@@H](C[N@H+]2CCc3cc(C(=O)[O-])ccc3C2)C1 ZINC000901679130 1117801792 /nfs/dbraw/zinc/80/17/92/1117801792.db2.gz ZWGFNQRMYZRLDL-DZGCQCFKSA-N 0 1 299.414 3.735 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000144536146 1117802511 /nfs/dbraw/zinc/80/25/11/1117802511.db2.gz OOQBYPQAMKHKCP-QGZVFWFLSA-N 0 1 285.387 3.771 20 0 CHADMN CCC[C@@]1(CO)CCN([C@@H](C)c2cc(F)ccc2F)C1 ZINC000579034590 1128735933 /nfs/dbraw/zinc/73/59/33/1128735933.db2.gz KHKXFXZCVRHDNY-BLLLJJGKSA-N 0 1 283.362 3.510 20 0 CHADMN CCC[C@]1(CO)CCN([C@H](C)c2cc(F)ccc2F)C1 ZINC000579034593 1128736223 /nfs/dbraw/zinc/73/62/23/1128736223.db2.gz KHKXFXZCVRHDNY-WBMJQRKESA-N 0 1 283.362 3.510 20 0 CHADMN CCOC(CN1CCC[C@H]1c1ccc(Cl)cc1)OCC ZINC000185320900 1117810847 /nfs/dbraw/zinc/81/08/47/1117810847.db2.gz KSZLJSHNHATBLU-HNNXBMFYSA-N 0 1 297.826 3.876 20 0 CHADMN CCN(CCOc1cc(C)cc(C)c1)CCC(F)(F)F ZINC000623121924 1117815605 /nfs/dbraw/zinc/81/56/05/1117815605.db2.gz ULXPBUYFZFCEGO-UHFFFAOYSA-N 0 1 289.341 3.957 20 0 CHADMN CCN(Cc1ccc2cnn(C)c2c1)Cc1ccccc1F ZINC001139907884 1117816328 /nfs/dbraw/zinc/81/63/28/1117816328.db2.gz QQOXLBWVTHPHDG-UHFFFAOYSA-N 0 1 297.377 3.735 20 0 CHADMN C[C@@H](CCC(C)(C)C)Nc1cnn(-c2ccncc2)c1 ZINC000671299930 1117817259 /nfs/dbraw/zinc/81/72/59/1117817259.db2.gz SSBQBAQPXLUVCL-ZDUSSCGKSA-N 0 1 272.396 3.894 20 0 CHADMN CC[C@@H]1CCN1CCCc1c(F)cccc1Cl ZINC000430185311 1117819227 /nfs/dbraw/zinc/81/92/27/1117819227.db2.gz DDKFEGIZAMDOHF-LLVKDONJSA-N 0 1 255.764 3.896 20 0 CHADMN CN(C)Cc1cc(-c2ccc(C(F)(F)F)nc2)ccc1F ZINC000623169593 1117821449 /nfs/dbraw/zinc/82/14/49/1117821449.db2.gz IQSZJFZSHVQMJE-UHFFFAOYSA-N 0 1 298.283 3.968 20 0 CHADMN Cc1ccc([C@H]2COCCN2C[C@H](C)C(C)(C)C)o1 ZINC000670264512 1117822508 /nfs/dbraw/zinc/82/25/08/1117822508.db2.gz PNTSIVMINWTPRY-GXTWGEPZSA-N 0 1 265.397 3.644 20 0 CHADMN C[C@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2ccc(C3CC3)cc2)C1 ZINC000623207455 1117823920 /nfs/dbraw/zinc/82/39/20/1117823920.db2.gz UVCAYHRUZQRDJH-MEDUHNTESA-N 0 1 295.386 3.592 20 0 CHADMN CC(C)C(C[N@H+]1CCOC[C@@H]1c1ccco1)C(C)C ZINC000671306078 1117824122 /nfs/dbraw/zinc/82/41/22/1117824122.db2.gz MVZXWEDWKCVIMQ-OAHLLOKOSA-N 0 1 265.397 3.581 20 0 CHADMN CC(C)C(CN1CCOC[C@@H]1c1ccco1)C(C)C ZINC000671306078 1117824127 /nfs/dbraw/zinc/82/41/27/1117824127.db2.gz MVZXWEDWKCVIMQ-OAHLLOKOSA-N 0 1 265.397 3.581 20 0 CHADMN COc1ccc([C@@H]2CCCN2C/C=C/Cl)cc1OC ZINC000045004609 1117833258 /nfs/dbraw/zinc/83/32/58/1117833258.db2.gz JIKRJXCEIUGXIY-GBVBUYCNSA-N 0 1 281.783 3.593 20 0 CHADMN CCCc1cc(C(=O)N(C)C/C(C)=C/c2ccccc2)n[nH]1 ZINC000683176544 1117834542 /nfs/dbraw/zinc/83/45/42/1117834542.db2.gz XKBOEWILIXELOC-SDNWHVSQSA-N 0 1 297.402 3.538 20 0 CHADMN COc1ccc2c(ccnc2N2CC(c3ccccc3)C2)c1 ZINC001167061294 1117840247 /nfs/dbraw/zinc/84/02/47/1117840247.db2.gz LRZWDFLGYITRSI-UHFFFAOYSA-N 0 1 290.366 3.847 20 0 CHADMN Cc1cccc(C)c1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000510079966 1117841450 /nfs/dbraw/zinc/84/14/50/1117841450.db2.gz VNVFSHYPSCSHDO-KRWDZBQOSA-N 0 1 269.392 3.754 20 0 CHADMN C[C@H]1C[C@H]1C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000683183299 1117842694 /nfs/dbraw/zinc/84/26/94/1117842694.db2.gz ZDDMXJDLTJJHLN-SMDDNHRTSA-N 0 1 291.354 3.824 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccc3c2OCC3)cs1 ZINC000692951606 1117846811 /nfs/dbraw/zinc/84/68/11/1117846811.db2.gz NIHNKTRECZHDDQ-GFCCVEGCSA-N 0 1 273.401 3.842 20 0 CHADMN c1cnc2c(c1)cccc2CNc1cc2c(cn1)CCC2 ZINC000339551960 1117847705 /nfs/dbraw/zinc/84/77/05/1117847705.db2.gz AXPVVGIDZGHEPX-UHFFFAOYSA-N 0 1 275.355 3.731 20 0 CHADMN COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185564257 1117848311 /nfs/dbraw/zinc/84/83/11/1117848311.db2.gz XUTSSSVEDTXXTQ-GHMZBOCLSA-N 0 1 285.815 3.900 20 0 CHADMN CCOc1ccccc1CNc1cc2c(cn1)CCC2 ZINC000339552609 1117849250 /nfs/dbraw/zinc/84/92/50/1117849250.db2.gz CZIYJYVGYNZSHS-UHFFFAOYSA-N 0 1 268.360 3.581 20 0 CHADMN CCC[C@H]1CCC[N@@H+](CC[C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000579132360 1128739120 /nfs/dbraw/zinc/73/91/20/1128739120.db2.gz AQWITFSRFARYGG-DOTOQJQBSA-N 0 1 289.419 3.757 20 0 CHADMN CO[C@H]1CCN(Cc2cc(C)c(Cl)cc2F)[C@H](C)C1 ZINC001238304011 1117860524 /nfs/dbraw/zinc/86/05/24/1117860524.db2.gz DGMGITMLGSNGRW-YPMHNXCESA-N 0 1 285.790 3.787 20 0 CHADMN C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000185643952 1117861473 /nfs/dbraw/zinc/86/14/73/1117861473.db2.gz CKTUGWPFNKILLY-KNXALSJPSA-N 0 1 297.826 3.637 20 0 CHADMN Fc1ccc(F)c(CNCC2(C(F)F)CC2)c1Cl ZINC000623510702 1117863107 /nfs/dbraw/zinc/86/31/07/1117863107.db2.gz HNNGHWDKZKLMEI-UHFFFAOYSA-N 0 1 281.680 3.753 20 0 CHADMN C[C@H]1SCC[C@H]1NCc1c(F)ccc(F)c1Cl ZINC000623558722 1117871879 /nfs/dbraw/zinc/87/18/79/1117871879.db2.gz GVKIKXPBPTXOLU-RDDDGLTNSA-N 0 1 277.767 3.602 20 0 CHADMN C[C@]1(CNCc2c(F)ccc(F)c2Cl)CC1(F)F ZINC000623570062 1117874444 /nfs/dbraw/zinc/87/44/44/1117874444.db2.gz GYCXJWSEBQLVCL-LLVKDONJSA-N 0 1 281.680 3.753 20 0 CHADMN COc1ccc([C@@H](CCC(C)C)NCc2cc[nH]n2)cc1 ZINC000177954666 1117882776 /nfs/dbraw/zinc/88/27/76/1117882776.db2.gz AACWOHBBYWOREL-QGZVFWFLSA-N 0 1 287.407 3.685 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(O)c1F ZINC001238360579 1117886722 /nfs/dbraw/zinc/88/67/22/1117886722.db2.gz PDTWHSUBVZTWLU-ZDUSSCGKSA-N 0 1 281.371 3.695 20 0 CHADMN CCC(F)(F)CN[C@H]1CC[C@@H](c2ccccc2)C1 ZINC000623679123 1117889220 /nfs/dbraw/zinc/88/92/20/1117889220.db2.gz JHNWLIMNJIFHKL-KGLIPLIRSA-N 0 1 253.336 3.958 20 0 CHADMN CCC(F)(F)CN[C@H]1CCC[C@H](c2cccnc2)C1 ZINC000623679194 1117889250 /nfs/dbraw/zinc/88/92/50/1117889250.db2.gz LVLKDXFXJHZJKV-JSGCOSHPSA-N 0 1 268.351 3.743 20 0 CHADMN Cc1nn(-c2ccccc2)c(C)c1CN[C@H](C)c1ccoc1 ZINC000178352875 1117891268 /nfs/dbraw/zinc/89/12/68/1117891268.db2.gz PDLAGTWMFNZHCI-CYBMUJFWSA-N 0 1 295.386 3.933 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@H]2c2cccc(C)n2)s1 ZINC000178672622 1117894690 /nfs/dbraw/zinc/89/46/90/1117894690.db2.gz WHIGWXNNEVSOEV-HNNXBMFYSA-N 0 1 287.432 3.800 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@H](C)c2cc(C(=O)[O-])c(C)o2)s1 ZINC000579843166 1117907829 /nfs/dbraw/zinc/90/78/29/1117907829.db2.gz WSWDGHOEQWWOAL-SNVBAGLBSA-N 0 1 293.388 3.849 20 0 CHADMN CC[C@H]1CCCCN1CC(=O)Nc1ccc(C)c(C)c1 ZINC000023991215 1117908405 /nfs/dbraw/zinc/90/84/05/1117908405.db2.gz RPUPJZORSWXXOF-INIZCTEOSA-N 0 1 274.408 3.506 20 0 CHADMN COc1cc(CN[C@H]2c3ccccc3O[C@H]2C)ccc1C ZINC000579282747 1128743339 /nfs/dbraw/zinc/74/33/39/1128743339.db2.gz XOAXUXQPWRYJNK-SCLBCKFNSA-N 0 1 283.371 3.615 20 0 CHADMN Cc1cccc(C)c1C(=O)Nc1cccc(Cl)c1O ZINC000179724896 1117912234 /nfs/dbraw/zinc/91/22/34/1117912234.db2.gz KIJFOOITWNMXTN-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN CC[C@H]1c2ccsc2CCN1Cc1cccc2nccn21 ZINC000179761127 1117912982 /nfs/dbraw/zinc/91/29/82/1117912982.db2.gz NFLNBINLMPUBAR-HNNXBMFYSA-N 0 1 297.427 3.905 20 0 CHADMN Clc1scc(CN[C@@H]2CO[C@@H](C3CC3)C2)c1Cl ZINC000623753741 1117919986 /nfs/dbraw/zinc/91/99/86/1117919986.db2.gz DCGOKFJQEBZEKC-VHSXEESVSA-N 0 1 292.231 3.712 20 0 CHADMN CC/C=C\CCN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001208732353 1117922716 /nfs/dbraw/zinc/92/27/16/1117922716.db2.gz AAOZXDKIYYRQHV-MVZIDQBPSA-N 0 1 273.302 3.699 20 0 CHADMN Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)Cc2ncccc2[O-])cc1 ZINC000579290127 1128743970 /nfs/dbraw/zinc/74/39/70/1128743970.db2.gz FIJXFVRYIUYBNC-FUHWJXTLSA-N 0 1 296.414 3.864 20 0 CHADMN C[C@@]1(F)CCN(CCc2ccc(Cl)cc2)C[C@@H]1F ZINC001208736360 1117927365 /nfs/dbraw/zinc/92/73/65/1117927365.db2.gz CQFGOOQZAAROHT-UONOGXRCSA-N 0 1 273.754 3.655 20 0 CHADMN C[C@]1(F)CCCN(Cc2cccc(OC(F)(F)F)c2)C1 ZINC001204428409 1117935060 /nfs/dbraw/zinc/93/50/60/1117935060.db2.gz FHLGCPQIWZFIRE-ZDUSSCGKSA-N 0 1 291.288 3.909 20 0 CHADMN F[C@@H]1CCC[C@H](c2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000351340246 1117936581 /nfs/dbraw/zinc/93/65/81/1117936581.db2.gz IWJGZWZBBFYMLS-WDEREUQCSA-N 0 1 286.310 3.609 20 0 CHADMN OCC[C@H](NCc1cc[nH]c1)c1cc(Cl)cc(Cl)c1 ZINC000623798155 1117936601 /nfs/dbraw/zinc/93/66/01/1117936601.db2.gz NCTAJODTCQEIAZ-AWEZNQCLSA-N 0 1 299.201 3.535 20 0 CHADMN C[C@H]1CN(Cc2cn(C)nc2C(C)(C)C)[C@@H]1c1ccccc1 ZINC000180653954 1117936853 /nfs/dbraw/zinc/93/68/53/1117936853.db2.gz XGVZNLKVAUZWAU-YOEHRIQHSA-N 0 1 297.446 3.911 20 0 CHADMN CN1CC=C(N(c2ccccc2)c2ccccc2N)CC1 ZINC001208838588 1117939346 /nfs/dbraw/zinc/93/93/46/1117939346.db2.gz QOTGHLFMPGGUCM-UHFFFAOYSA-N 0 1 279.387 3.626 20 0 CHADMN Cc1ccc(CNCc2ccccc2CC(F)(F)F)o1 ZINC000623820302 1117941426 /nfs/dbraw/zinc/94/14/26/1117941426.db2.gz SCMRTZGOMNNTCB-UHFFFAOYSA-N 0 1 283.293 3.983 20 0 CHADMN Cc1ccoc1CNCc1ccccc1CC(F)(F)F ZINC000623821461 1117941886 /nfs/dbraw/zinc/94/18/86/1117941886.db2.gz TWRPPYOBJWHLID-UHFFFAOYSA-N 0 1 283.293 3.983 20 0 CHADMN FC[C@H]1CCCN1Cc1ccc(C(F)(F)F)cc1 ZINC000339663666 1117950316 /nfs/dbraw/zinc/95/03/16/1117950316.db2.gz KPVNDOBQRADTAN-GFCCVEGCSA-N 0 1 261.262 3.639 20 0 CHADMN CC[C@@H](N[C@H](C)c1cccnc1)c1ccccc1OC ZINC000036995134 1117954849 /nfs/dbraw/zinc/95/48/49/1117954849.db2.gz FEUVQKBXYJZVQG-CZUORRHYSA-N 0 1 270.376 3.892 20 0 CHADMN C=CCSCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185968691 1117956492 /nfs/dbraw/zinc/95/64/92/1117956492.db2.gz SQAWYVSXNOHGCP-JTQLQIEISA-N 0 1 271.813 3.615 20 0 CHADMN Clc1ncc(CN2CC[C@H]3CCCC[C@@H]3C2)s1 ZINC000094194792 1128746777 /nfs/dbraw/zinc/74/67/77/1128746777.db2.gz RUACGPJBVAMXIR-GHMZBOCLSA-N 0 1 270.829 3.809 20 0 CHADMN Cc1cccc([C@H](N[C@H](CCO)c2ccco2)C(C)C)c1 ZINC000623961870 1117962596 /nfs/dbraw/zinc/96/25/96/1117962596.db2.gz QNTKNBQQLUGGRR-SJLPKXTDSA-N 0 1 287.403 3.998 20 0 CHADMN Clc1ncc(CN2CCC[C@H]3CCCC[C@@H]32)s1 ZINC000094194793 1128746845 /nfs/dbraw/zinc/74/68/45/1128746845.db2.gz NFJIXXVADDNBQL-PWSUYJOCSA-N 0 1 270.829 3.951 20 0 CHADMN CC(C)[C@]1(CO)CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000339709083 1117963233 /nfs/dbraw/zinc/96/32/33/1117963233.db2.gz AIJPCPOHFGYTMP-MRXNPFEDSA-N 0 1 299.817 3.710 20 0 CHADMN CC(C)[C@]1(CO)CCCN(Cc2ccc(Cl)cc2F)C1 ZINC000339709083 1117963236 /nfs/dbraw/zinc/96/32/36/1117963236.db2.gz AIJPCPOHFGYTMP-MRXNPFEDSA-N 0 1 299.817 3.710 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CCC(C)(F)F)CC(=O)[O-] ZINC000579377205 1128746901 /nfs/dbraw/zinc/74/69/01/1128746901.db2.gz UJLVVKONLZEAQN-ZDUSSCGKSA-N 0 1 285.334 3.570 20 0 CHADMN C[C@H]1c2ccc(Cl)n2CCN1CC1CC(F)(F)C1 ZINC000294912572 1117965679 /nfs/dbraw/zinc/96/56/79/1117965679.db2.gz IITYSOYKNMHNRP-VIFPVBQESA-N 0 1 274.742 3.563 20 0 CHADMN Cc1csc(CN[C@@H](C)c2nc(C)cs2)c1 ZINC000623993805 1117967122 /nfs/dbraw/zinc/96/71/22/1117967122.db2.gz DHFNLBAYOFVOSP-JTQLQIEISA-N 0 1 252.408 3.672 20 0 CHADMN C[C@@H](NCC1=CCCC1)c1cc(-c2ccccc2)n(C)n1 ZINC000624015530 1117970754 /nfs/dbraw/zinc/97/07/54/1117970754.db2.gz ZPTBUVJETYUNOD-CQSZACIVSA-N 0 1 281.403 3.848 20 0 CHADMN C[C@H](NC/C=C\Cl)c1ccccc1Br ZINC000255010403 1117971537 /nfs/dbraw/zinc/97/15/37/1117971537.db2.gz SCGOZEQPRBCQJJ-WYDVEAGSSA-N 0 1 274.589 3.852 20 0 CHADMN CCC[C@H](CN[C@@H](c1ccccc1)c1ccccn1)OCC ZINC000624050134 1117976238 /nfs/dbraw/zinc/97/62/38/1117976238.db2.gz ZMOVBFXBUBHAPK-MJGOQNOKSA-N 0 1 298.430 3.966 20 0 CHADMN CCC[C@H](CN[C@H](c1ccccc1)c1ccccn1)OCC ZINC000624050133 1117976395 /nfs/dbraw/zinc/97/63/95/1117976395.db2.gz ZMOVBFXBUBHAPK-IEBWSBKVSA-N 0 1 298.430 3.966 20 0 CHADMN CCCCN(Cc1nnc(C)s1)C1CCCCC1 ZINC000339794926 1117976826 /nfs/dbraw/zinc/97/68/26/1117976826.db2.gz BRIWPKWLPOIHAI-UHFFFAOYSA-N 0 1 267.442 3.781 20 0 CHADMN C[C@H]([NH2+][C@H]1CC=CCC1)c1cc(Br)ccc1[O-] ZINC000186056689 1117978969 /nfs/dbraw/zinc/97/89/69/1117978969.db2.gz UQHUNWQPNNHGAC-JQWIXIFHSA-N 0 1 296.208 3.914 20 0 CHADMN CCCN(CC1CCCCC1)C(=O)c1ccc2cncn2c1 ZINC000339813310 1117979098 /nfs/dbraw/zinc/97/90/98/1117979098.db2.gz GDSCKUHNCZTADN-UHFFFAOYSA-N 0 1 299.418 3.767 20 0 CHADMN CCCCN(C(=O)c1ccc2cncn2c1)C1CCCCC1 ZINC000339828756 1117982495 /nfs/dbraw/zinc/98/24/95/1117982495.db2.gz DHVXCNKBCCMYMS-UHFFFAOYSA-N 0 1 299.418 3.909 20 0 CHADMN Cc1cc(CNC[C@H](C)Oc2ccc(C(C)C)cc2)on1 ZINC000631134636 1117987280 /nfs/dbraw/zinc/98/72/80/1117987280.db2.gz HLDWUXWCHWIUEP-AWEZNQCLSA-N 0 1 288.391 3.664 20 0 CHADMN CCCN(Cc1ccccc1)C(=O)c1cccc2n[nH]cc21 ZINC000042028058 1117987421 /nfs/dbraw/zinc/98/74/21/1117987421.db2.gz WFBSJRYSYYKIKE-UHFFFAOYSA-N 0 1 293.370 3.615 20 0 CHADMN CC1=C[C@H](C)CN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000430280528 1117988137 /nfs/dbraw/zinc/98/81/37/1117988137.db2.gz PTHQFUPOTNMXEY-LBPRGKRZSA-N 0 1 286.350 3.879 20 0 CHADMN CCC(CC)C[N@@H+](CC)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000232875010 1117995373 /nfs/dbraw/zinc/99/53/73/1117995373.db2.gz DLKHLOMGIJCTSS-UHFFFAOYSA-N 0 1 281.371 3.782 20 0 CHADMN CC[C@H](C)[C@@H](CNCc1c(F)ccc(F)c1Cl)OC ZINC000705551459 1117997172 /nfs/dbraw/zinc/99/71/72/1117997172.db2.gz FGTISKCCRLHIHH-TVQRCGJNSA-N 0 1 291.769 3.769 20 0 CHADMN Cc1oncc1CN(Cc1ccoc1)C1CCCCC1 ZINC000181717262 1118004938 /nfs/dbraw/zinc/00/49/38/1118004938.db2.gz LYULOEYNSAJEKY-UHFFFAOYSA-N 0 1 274.364 3.911 20 0 CHADMN CCOC(=O)c1nc(CNC(C)(C)CC(C)(C)C)cs1 ZINC000077183483 1118006105 /nfs/dbraw/zinc/00/61/05/1118006105.db2.gz VBYTWSUYEIYBKC-UHFFFAOYSA-N 0 1 298.452 3.624 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNCc2ccc3c(c2)CCO3)o1 ZINC000077329680 1118006840 /nfs/dbraw/zinc/00/68/40/1118006840.db2.gz FUBROJAUYIVKLE-LRDDRELGSA-N 0 1 283.371 3.628 20 0 CHADMN FC(F)(F)CCN1CCS[C@H](c2ccccc2)C1 ZINC000077317772 1118006940 /nfs/dbraw/zinc/00/69/40/1118006940.db2.gz YGDGAVIBPUGYRW-LBPRGKRZSA-N 0 1 275.339 3.729 20 0 CHADMN Cc1nc(-c2ccc([C@@H](C)NCc3cn[nH]c3)cc2)cs1 ZINC000624213071 1118008505 /nfs/dbraw/zinc/00/85/05/1118008505.db2.gz KDNHCOLRRUTGBD-LLVKDONJSA-N 0 1 298.415 3.692 20 0 CHADMN Cc1nc([C@H](C)NCCCOCc2ccccc2)cs1 ZINC000358089734 1118015289 /nfs/dbraw/zinc/01/52/89/1118015289.db2.gz RZQKTVQBCAHKFR-ZDUSSCGKSA-N 0 1 290.432 3.709 20 0 CHADMN Cc1cc(F)ccc1CN(Cc1ccccn1)C1CC1 ZINC000182345886 1118020226 /nfs/dbraw/zinc/02/02/26/1118020226.db2.gz NALLDMOQOFKKEU-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN CC[C@@H](NCc1csc(CCC(C)C)n1)[C@@H]1CCCO1 ZINC000182347173 1118020843 /nfs/dbraw/zinc/02/08/43/1118020843.db2.gz IYDRULAJCHSGPK-CABCVRRESA-N 0 1 296.480 3.779 20 0 CHADMN CC/C=C\CCCCCC[N@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001209286404 1118023928 /nfs/dbraw/zinc/02/39/28/1118023928.db2.gz DUVDMPMYTTZIDN-MYIWKSEUSA-N 0 1 271.420 3.555 20 0 CHADMN COC[C@H](C)N(C)c1ccnc2cc(C(F)(F)F)ccc21 ZINC000443670352 1118028671 /nfs/dbraw/zinc/02/86/71/1118028671.db2.gz SYIAQONBCYLMQA-JTQLQIEISA-N 0 1 298.308 3.725 20 0 CHADMN CC(C)[C@@H](C)Nc1ccccc1CN1CCSCC1 ZINC000183017077 1118035324 /nfs/dbraw/zinc/03/53/24/1118035324.db2.gz AZWUYRVOKNOPHT-CQSZACIVSA-N 0 1 278.465 3.692 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cnc3ccccc3n2)cc1 ZINC000037770364 1118037358 /nfs/dbraw/zinc/03/73/58/1118037358.db2.gz RPWKDQPBOXPDIT-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN C[C@@H](CCc1cccc(F)c1)N(C)Cc1cscn1 ZINC000183185014 1118040279 /nfs/dbraw/zinc/04/02/79/1118040279.db2.gz QTMGMJWQAPYFSJ-LBPRGKRZSA-N 0 1 278.396 3.735 20 0 CHADMN CCCc1noc(CN2CC[C@@H](c3cc(C)cc(C)c3)C2)n1 ZINC000183481114 1118044436 /nfs/dbraw/zinc/04/44/36/1118044436.db2.gz QSJNZCLWMKKKCG-OAHLLOKOSA-N 0 1 299.418 3.628 20 0 CHADMN CC[C@H](c1ccccc1)N(C)c1cc(OC)ccn1 ZINC001167129436 1118047329 /nfs/dbraw/zinc/04/73/29/1118047329.db2.gz LHXDIGSTQZVSQZ-OAHLLOKOSA-N 0 1 256.349 3.678 20 0 CHADMN C[C@@H](c1cccnc1)N(C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000183718926 1118048772 /nfs/dbraw/zinc/04/87/72/1118048772.db2.gz KDYUVDVBVAALMK-AWEZNQCLSA-N 0 1 292.386 3.665 20 0 CHADMN CN(Cc1cc(-c2ccccc2)on1)C[C@H]1CC1(C)C ZINC001206846304 1118052280 /nfs/dbraw/zinc/05/22/80/1118052280.db2.gz PHUJEQGLSFCSMI-CQSZACIVSA-N 0 1 270.376 3.820 20 0 CHADMN CC(C)COC[C@H](N[C@H]1C=CCCC1)c1ccco1 ZINC000184171229 1118052813 /nfs/dbraw/zinc/05/28/13/1118052813.db2.gz YHIAWEICGGFVMN-GJZGRUSLSA-N 0 1 263.381 3.692 20 0 CHADMN CCN(Cc1c(F)cccc1Cl)C[C@H]1C[C@H]1C ZINC001209433033 1118054056 /nfs/dbraw/zinc/05/40/56/1118054056.db2.gz SOMLSUAJABHESC-GHMZBOCLSA-N 0 1 255.764 3.957 20 0 CHADMN CC(C)OCCN[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184460099 1118054150 /nfs/dbraw/zinc/05/41/50/1118054150.db2.gz QVCATJSZNFTTHS-NSHDSACASA-N 0 1 270.442 3.516 20 0 CHADMN O=C(CC/C=C/c1ccccc1)Nc1nc(C2CCC2)n[nH]1 ZINC000184578204 1118055382 /nfs/dbraw/zinc/05/53/82/1118055382.db2.gz INABLUJGVLOCJI-RUDMXATFSA-N 0 1 296.374 3.504 20 0 CHADMN O=C(CC/C=C/c1ccccc1)Nc1n[nH]c(C2CCC2)n1 ZINC000184578204 1118055386 /nfs/dbraw/zinc/05/53/86/1118055386.db2.gz INABLUJGVLOCJI-RUDMXATFSA-N 0 1 296.374 3.504 20 0 CHADMN CC[C@H](CC(=O)Nc1nc(C2CCC2)n[nH]1)c1ccccc1 ZINC000184645170 1118056066 /nfs/dbraw/zinc/05/60/66/1118056066.db2.gz HXHVVRMUESGVDR-GFCCVEGCSA-N 0 1 298.390 3.595 20 0 CHADMN CC[C@H](CC(=O)Nc1n[nH]c(C2CCC2)n1)c1ccccc1 ZINC000184645170 1118056070 /nfs/dbraw/zinc/05/60/70/1118056070.db2.gz HXHVVRMUESGVDR-GFCCVEGCSA-N 0 1 298.390 3.595 20 0 CHADMN C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ccc(F)cc2)C1 ZINC000184896644 1118057940 /nfs/dbraw/zinc/05/79/40/1118057940.db2.gz ADXQGMXBKXHSOR-DYVFJYSZSA-N 0 1 270.351 3.804 20 0 CHADMN CCCC[C@H](NCc1nnc(C(C)C)o1)C1CCC1 ZINC000184896707 1118057990 /nfs/dbraw/zinc/05/79/90/1118057990.db2.gz NKGMCGJMHCEGSD-ZDUSSCGKSA-N 0 1 265.401 3.642 20 0 CHADMN Cc1cccc(NC(=O)[C@H](C)N(C)Cc2ccccc2)c1C ZINC000025416956 1118058225 /nfs/dbraw/zinc/05/82/25/1118058225.db2.gz HUWCFTLPJNXHTH-INIZCTEOSA-N 0 1 296.414 3.762 20 0 CHADMN CCCC[C@@H](NCc1ncn(-c2ccccc2)n1)C1CCC1 ZINC000184887760 1118058235 /nfs/dbraw/zinc/05/82/35/1118058235.db2.gz OWBPOQPUPXVMRB-QGZVFWFLSA-N 0 1 298.434 3.716 20 0 CHADMN CC[C@H](NCCOc1cccc(C)c1)c1nccs1 ZINC000185095733 1118059331 /nfs/dbraw/zinc/05/93/31/1118059331.db2.gz YWGYAGVHCCNITB-AWEZNQCLSA-N 0 1 276.405 3.571 20 0 CHADMN c1nc(CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)co1 ZINC000683350432 1118063525 /nfs/dbraw/zinc/06/35/25/1118063525.db2.gz IYDGRPZQUFMPST-CQSZACIVSA-N 0 1 281.359 3.536 20 0 CHADMN CC(C)c1ccc(CN2CCCC23CC3)c(Cl)n1 ZINC001238721288 1118077999 /nfs/dbraw/zinc/07/79/99/1118077999.db2.gz APYHPDSFVQLBAI-UHFFFAOYSA-N 0 1 264.800 3.987 20 0 CHADMN CO[C@H]1CCN(Cc2cc(F)cc(C)c2Cl)[C@@H](C)C1 ZINC001238784252 1118083913 /nfs/dbraw/zinc/08/39/13/1118083913.db2.gz NHRSONFAKLHQCW-FZMZJTMJSA-N 0 1 285.790 3.787 20 0 CHADMN CCOC(=O)CN(CCCCc1ccccc1)CC(C)C ZINC001167199252 1118094321 /nfs/dbraw/zinc/09/43/21/1118094321.db2.gz IDQSQLVGULDKHU-UHFFFAOYSA-N 0 1 291.435 3.530 20 0 CHADMN CO[C@](C)(CN[C@H](C)c1nc(C)cs1)c1ccccc1 ZINC000384308046 1118094513 /nfs/dbraw/zinc/09/45/13/1118094513.db2.gz LELUZZUBWDFXQO-CZUORRHYSA-N 0 1 290.432 3.664 20 0 CHADMN CC(C(=O)Nc1cccc(Cl)c1O)=C1CCCC1 ZINC000179720164 1128755825 /nfs/dbraw/zinc/75/58/25/1128755825.db2.gz PVNAZHNCXAHPLY-UHFFFAOYSA-N 0 1 265.740 3.875 20 0 CHADMN COC(=O)c1cc(CN2CC=C(C(C)(C)C)CC2)oc1C ZINC000340188132 1118106697 /nfs/dbraw/zinc/10/66/97/1118106697.db2.gz GSPMQQRZJFBZIW-UHFFFAOYSA-N 0 1 291.391 3.553 20 0 CHADMN CC[C@H](CC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)C(C)(C)C ZINC001140103682 1118117464 /nfs/dbraw/zinc/11/74/64/1118117464.db2.gz WUDGGLAYPJRDDV-ZBFHGGJFSA-N 0 1 294.483 3.582 20 0 CHADMN Cc1cc(N)ncc1Nc1ccnc2cc(Cl)ccc21 ZINC001209964997 1118120882 /nfs/dbraw/zinc/12/08/82/1118120882.db2.gz KPBVVQBQTAPZOW-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(C2CCC2)nn1C(C)(C)C ZINC001209962227 1118121032 /nfs/dbraw/zinc/12/10/32/1118121032.db2.gz SWTYQIGFZKYVHU-UHFFFAOYSA-N 0 1 299.422 3.935 20 0 CHADMN C[C@H](NC1CC(C)(C)CC(C)(C)C1)c1csnn1 ZINC000398305991 1118122423 /nfs/dbraw/zinc/12/24/23/1118122423.db2.gz PMPKJARBPOIXTJ-JTQLQIEISA-N 0 1 267.442 3.794 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(F)c(C2CC2)c1 ZINC001209972268 1118123913 /nfs/dbraw/zinc/12/39/13/1118123913.db2.gz JHQRXJTXISVBRK-UHFFFAOYSA-N 0 1 257.312 3.732 20 0 CHADMN Cc1noc(C)c1NC(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000340260135 1118125811 /nfs/dbraw/zinc/12/58/11/1118125811.db2.gz PQZVEICTTISAAY-UHFFFAOYSA-N 0 1 297.314 3.507 20 0 CHADMN CC(C)(C)n1ncnc1CN1CCC[C@H]1CC1CCCC1 ZINC000653893169 1118126198 /nfs/dbraw/zinc/12/61/98/1118126198.db2.gz VTKAJTHZHVCDPT-HNNXBMFYSA-N 0 1 290.455 3.578 20 0 CHADMN CCCCCCC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000130795921 1128757667 /nfs/dbraw/zinc/75/76/67/1128757667.db2.gz MOICTUIVULLSQD-MRXNPFEDSA-N 0 1 294.414 3.515 20 0 CHADMN CC(C)(C)[C@H](O)CN(Cc1ccco1)Cc1cccs1 ZINC000340281765 1118130097 /nfs/dbraw/zinc/13/00/97/1118130097.db2.gz HURFEHGSVLOJGJ-OAHLLOKOSA-N 0 1 293.432 3.750 20 0 CHADMN Cc1ncc([C@H](C)NCc2cccc(OC(C)C)c2)c(C)n1 ZINC000765095743 1118134824 /nfs/dbraw/zinc/13/48/24/1118134824.db2.gz MPMJTHDHZHUAHM-ZDUSSCGKSA-N 0 1 299.418 3.731 20 0 CHADMN CCn1nc(C)c(CN2CCCCC[C@H]2c2ccccc2)n1 ZINC001167271023 1118136374 /nfs/dbraw/zinc/13/63/74/1118136374.db2.gz SRRYFGBIPMPOFH-SFHVURJKSA-N 0 1 298.434 3.724 20 0 CHADMN CCc1cccc(N[C@@H](c2cccs2)c2nnc[nH]2)c1 ZINC000340312906 1118138345 /nfs/dbraw/zinc/13/83/45/1118138345.db2.gz APFPIOJXQGQORY-AWEZNQCLSA-N 0 1 284.388 3.630 20 0 CHADMN COc1ccc(C[NH2+]Cc2ccc([O-])c(Cl)c2)c(C)c1 ZINC000765258815 1118139556 /nfs/dbraw/zinc/13/95/56/1118139556.db2.gz AUMRCVDKDIGDSX-UHFFFAOYSA-N 0 1 291.778 3.652 20 0 CHADMN CC(C)C[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000074995176 1128758772 /nfs/dbraw/zinc/75/87/72/1128758772.db2.gz ALFCWVBEPGBSRW-GFCCVEGCSA-N 0 1 252.789 3.603 20 0 CHADMN CC[C@@H](NCc1cccc2c1OCC2)c1ccccc1OC ZINC000921524865 1118157059 /nfs/dbraw/zinc/15/70/59/1118157059.db2.gz JWVSNKKZBRASLK-QGZVFWFLSA-N 0 1 297.398 3.871 20 0 CHADMN CC[C@H](NCc1ccnn1C1CCC1)c1ccccc1OC ZINC000921525122 1118157585 /nfs/dbraw/zinc/15/75/85/1118157585.db2.gz OFOQAPCQHCDPBH-KRWDZBQOSA-N 0 1 299.418 3.858 20 0 CHADMN CCc1[nH]ncc1C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 ZINC000683494670 1118167232 /nfs/dbraw/zinc/16/72/32/1118167232.db2.gz PXGVHNHQMANAHI-AWEZNQCLSA-N 0 1 297.402 3.762 20 0 CHADMN Cc1ccc(CN2Cc3ccccc3[C@@H](C)C2)cn1 ZINC000765565575 1118171366 /nfs/dbraw/zinc/17/13/66/1118171366.db2.gz LZYDWHGGRQUCJT-ZDUSSCGKSA-N 0 1 252.361 3.509 20 0 CHADMN C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC(C)(C)CC1 ZINC001167291632 1118181446 /nfs/dbraw/zinc/18/14/46/1118181446.db2.gz SNORQQGEZPBDFS-GFCCVEGCSA-N 0 1 294.826 3.789 20 0 CHADMN C[C@H]1C[C@H](NCC2(C(F)(F)F)CCCC2)c2nccn21 ZINC000624272814 1118184607 /nfs/dbraw/zinc/18/46/07/1118184607.db2.gz QLLYWWXSYBPVES-QWRGUYRKSA-N 0 1 287.329 3.601 20 0 CHADMN CC(C)[C@H](N[C@H]1CCCn2ccnc21)c1ccccc1 ZINC000655695373 1118186137 /nfs/dbraw/zinc/18/61/37/1118186137.db2.gz KPFMXVGWRUWKCW-HOTGVXAUSA-N 0 1 269.392 3.705 20 0 CHADMN Fc1ccc(CNC/C=C/c2ccccc2)c(F)c1F ZINC001650854257 1118186243 /nfs/dbraw/zinc/18/62/43/1118186243.db2.gz CXLAOKYURATZGT-QPJJXVBHSA-N 0 1 277.289 3.907 20 0 CHADMN COc1ccc([C@@H](N[C@@H]2CCCn3ccnc32)C(C)C)cc1 ZINC000655696420 1118187438 /nfs/dbraw/zinc/18/74/38/1118187438.db2.gz OXKRZBDXBLDAPR-SJORKVTESA-N 0 1 299.418 3.714 20 0 CHADMN C[C@@H](NCC1(C(F)(F)F)CCCC1)c1cscn1 ZINC000624273362 1118190723 /nfs/dbraw/zinc/19/07/23/1118190723.db2.gz ZIFVFLKBDJMGJV-SECBINFHSA-N 0 1 278.343 3.916 20 0 CHADMN CC1(C)CO[C@@H](CN[C@H](c2ccccc2)c2ccccn2)C1 ZINC000634686250 1118192000 /nfs/dbraw/zinc/19/20/00/1118192000.db2.gz GNXZZQZYDFSTPY-SJLPKXTDSA-N 0 1 296.414 3.576 20 0 CHADMN CCc1cc(CN[C@H]2CCc3cc(C)cc(C)c32)on1 ZINC000655715425 1118192418 /nfs/dbraw/zinc/19/24/18/1118192418.db2.gz KABUDVULOGNUEZ-INIZCTEOSA-N 0 1 270.376 3.631 20 0 CHADMN CC1(C)C[C@@H](N[C@@H]2CCCn3ccnc32)c2ccccc21 ZINC000655735762 1118197244 /nfs/dbraw/zinc/19/72/44/1118197244.db2.gz YJKSTCAYLLQYEW-HZPDHXFCSA-N 0 1 281.403 3.730 20 0 CHADMN Cc1cc([C@H](N[C@@H]2CCCn3ccnc32)C2CC2)ccc1F ZINC000655736923 1118198184 /nfs/dbraw/zinc/19/81/84/1118198184.db2.gz LBYQQUSJVQUKSK-IAGOWNOFSA-N 0 1 299.393 3.906 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1NCc1cc2n(n1)CCCC2 ZINC000655753801 1118201658 /nfs/dbraw/zinc/20/16/58/1118201658.db2.gz FNEOKIXDVLZPPZ-KUHUBIRLSA-N 0 1 295.430 3.633 20 0 CHADMN c1nn(C2CCC2)cc1CN[C@H]1CSCc2ccccc21 ZINC000921613136 1118205811 /nfs/dbraw/zinc/20/58/11/1118205811.db2.gz OOEVWTJLIGCCPT-KRWDZBQOSA-N 0 1 299.443 3.686 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H]1CCc2cc(C)cc(C)c21 ZINC000655772634 1118208336 /nfs/dbraw/zinc/20/83/36/1118208336.db2.gz QLGVLZXJXUYUOL-ZBFHGGJFSA-N 0 1 283.419 3.858 20 0 CHADMN Cc1cccc(C2(N[C@@H]3CCCn4ccnc43)CCC2)c1 ZINC000655779852 1118209846 /nfs/dbraw/zinc/20/98/46/1118209846.db2.gz SNHQUYDFDWNAFH-MRXNPFEDSA-N 0 1 281.403 3.695 20 0 CHADMN Cc1ccc(C2(N[C@@H]3CCCn4ccnc43)CCC2)cc1 ZINC000655792540 1118213679 /nfs/dbraw/zinc/21/36/79/1118213679.db2.gz KSPIIOIOGJLNIW-MRXNPFEDSA-N 0 1 281.403 3.695 20 0 CHADMN CCc1ccc(CSc2nc(C3CC3)n[nH]2)cc1 ZINC000172158812 1118213933 /nfs/dbraw/zinc/21/39/33/1118213933.db2.gz WFHQTIYUVINKHM-UHFFFAOYSA-N 0 1 259.378 3.537 20 0 CHADMN CCc1ccc(CSc2n[nH]c(C3CC3)n2)cc1 ZINC000172158812 1118213937 /nfs/dbraw/zinc/21/39/37/1118213937.db2.gz WFHQTIYUVINKHM-UHFFFAOYSA-N 0 1 259.378 3.537 20 0 CHADMN C[C@H]1CC[C@@H](Nc2ccc3cnccc3c2)CS1 ZINC000655793113 1118214734 /nfs/dbraw/zinc/21/47/34/1118214734.db2.gz TVEFEDHNBWQPQM-XHDPSFHLSA-N 0 1 258.390 3.931 20 0 CHADMN CC[C@@H](NCc1cncn1C(C)C)c1ccccc1F ZINC000655805655 1118218456 /nfs/dbraw/zinc/21/84/56/1118218456.db2.gz JUQSHZRTJTUVPM-MRXNPFEDSA-N 0 1 275.371 3.844 20 0 CHADMN CO[C@H]1C[C@H](N[C@@H](C)c2cc(Cl)sc2Cl)C1 ZINC000624297002 1118218811 /nfs/dbraw/zinc/21/88/11/1118218811.db2.gz MDCZOEJSNIXFHD-FXQIFTODSA-N 0 1 280.220 3.883 20 0 CHADMN Cc1cc(C)cc(NC(=O)c2cc(-c3ccco3)n[nH]2)c1 ZINC000030513312 1118219128 /nfs/dbraw/zinc/21/91/28/1118219128.db2.gz GATIFAHWSAPUGO-UHFFFAOYSA-N 0 1 281.315 3.539 20 0 CHADMN COc1c(C)cccc1CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000655810600 1118220116 /nfs/dbraw/zinc/22/01/16/1118220116.db2.gz MWFMACPTDQCXCW-ZDUSSCGKSA-N 0 1 299.370 3.583 20 0 CHADMN CCCCN(Cc1nnc(-c2ccc(C)cc2)o1)C1CC1 ZINC000046773586 1118225944 /nfs/dbraw/zinc/22/59/44/1118225944.db2.gz NBMKZSFYLKKRNS-UHFFFAOYSA-N 0 1 285.391 3.810 20 0 CHADMN c1ccc(Cc2noc([C@@H]3CC[C@@H]4CCCC[C@H]4N3)n2)cc1 ZINC000317243554 1118227615 /nfs/dbraw/zinc/22/76/15/1118227615.db2.gz ZLBJDORJJSUKCL-XHSDSOJGSA-N 0 1 297.402 3.644 20 0 CHADMN CC[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1C ZINC000036834393 1118228218 /nfs/dbraw/zinc/22/82/18/1118228218.db2.gz BAODGJHXPDSMPU-AWEZNQCLSA-N 0 1 294.826 3.851 20 0 CHADMN COc1c(C)cccc1CNCc1ccsc1C ZINC000655833545 1118228477 /nfs/dbraw/zinc/22/84/77/1118228477.db2.gz RHVQUVFHJVLOCH-UHFFFAOYSA-N 0 1 261.390 3.663 20 0 CHADMN Cc1ccc(-c2cnc(CN3CCC[C@@H](C)C3)o2)cc1 ZINC000041362701 1118230283 /nfs/dbraw/zinc/23/02/83/1118230283.db2.gz UXAHVVNOJPOTSH-CQSZACIVSA-N 0 1 270.376 3.882 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CN1Cc1cscn1 ZINC000172307219 1118232005 /nfs/dbraw/zinc/23/20/05/1118232005.db2.gz SCTWUMIJQJGJOX-JSGCOSHPSA-N 0 1 258.390 3.521 20 0 CHADMN C[C@@H](Cc1ccccn1)NCc1ncc(C(C)(C)C)s1 ZINC000655842764 1118235502 /nfs/dbraw/zinc/23/55/02/1118235502.db2.gz MHNBYNBLLNPHHE-LBPRGKRZSA-N 0 1 289.448 3.556 20 0 CHADMN CC[C@H](C)N(C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000104686917 1118236076 /nfs/dbraw/zinc/23/60/76/1118236076.db2.gz LSWNZZJBDIIRQU-ZDUSSCGKSA-N 0 1 276.424 3.653 20 0 CHADMN COc1ccsc1CNCc1cccc(OC(C)C)c1 ZINC001648830049 1118242982 /nfs/dbraw/zinc/24/29/82/1118242982.db2.gz GPNFUAQTIWBCJT-UHFFFAOYSA-N 0 1 291.416 3.834 20 0 CHADMN CC[C@@H](NCc1ncc(C(C)C)s1)[C@H]1CCCCO1 ZINC000655856925 1118246140 /nfs/dbraw/zinc/24/61/40/1118246140.db2.gz QXHRHDSDMRAKIP-CHWSQXEVSA-N 0 1 282.453 3.704 20 0 CHADMN CC(C)N(Cc1cccnc1)Cc1cc(F)cc(F)c1 ZINC000349244084 1118246949 /nfs/dbraw/zinc/24/69/49/1118246949.db2.gz NVKJLJLEDYSBFQ-UHFFFAOYSA-N 0 1 276.330 3.770 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)OC(F)(F)O2)c1ccsc1 ZINC000671692786 1118252913 /nfs/dbraw/zinc/25/29/13/1118252913.db2.gz FCAFYCLWISOHGW-SECBINFHSA-N 0 1 297.326 3.920 20 0 CHADMN CCC[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCN1CC ZINC001648847337 1118254114 /nfs/dbraw/zinc/25/41/14/1118254114.db2.gz PEVWLDHYJRJQQB-ZACQAIPSSA-N 0 1 294.483 3.584 20 0 CHADMN Cn1ccc(Nc2cc(Cl)c(Cl)c(Cl)c2O)n1 ZINC001210358515 1118256790 /nfs/dbraw/zinc/25/67/90/1118256790.db2.gz WIRNVGWJICGGGQ-UHFFFAOYSA-N 0 1 292.553 3.830 20 0 CHADMN C[C@H](NCc1ccnn1C)c1ccc(Cl)c(Cl)c1 ZINC000036901191 1118268146 /nfs/dbraw/zinc/26/81/46/1118268146.db2.gz FRFJGXAIYUAYCW-VIFPVBQESA-N 0 1 284.190 3.578 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC1=CCCCC1 ZINC000579979934 1118272172 /nfs/dbraw/zinc/27/21/72/1118272172.db2.gz CDOXUQFGEBQINH-SJORKVTESA-N 0 1 291.435 3.842 20 0 CHADMN C[C@H]1CSCCN1Cc1cc(Cl)nc2ccccc12 ZINC000189029517 1128766889 /nfs/dbraw/zinc/76/68/89/1128766889.db2.gz XZYHEFBRKPSRDT-NSHDSACASA-N 0 1 292.835 3.826 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1cnc(Br)c(C)c1 ZINC001653045352 1118280337 /nfs/dbraw/zinc/28/03/37/1118280337.db2.gz QZHQGGNWNRAMTR-YPMHNXCESA-N 0 1 297.240 3.915 20 0 CHADMN CCc1ccc(CNCc2cnn(-c3ccccc3)c2)s1 ZINC000077170574 1118283256 /nfs/dbraw/zinc/28/32/56/1118283256.db2.gz UCELYPAFESDIEX-UHFFFAOYSA-N 0 1 297.427 3.786 20 0 CHADMN CS(=O)(=O)c1ccccc1N=C1CCCCCCC1 ZINC001210448629 1118285460 /nfs/dbraw/zinc/28/54/60/1118285460.db2.gz MOLTVWWIFKNRAA-UHFFFAOYSA-N 0 1 279.405 3.740 20 0 CHADMN Fc1cccc(CNCc2cc3ccccc3[nH]2)c1F ZINC000107712304 1118289518 /nfs/dbraw/zinc/28/95/18/1118289518.db2.gz NQBYNRSOCPDZFC-UHFFFAOYSA-N 0 1 272.298 3.736 20 0 CHADMN CCCOC(=O)[C@@H](C)[N@H+]1CC[C@H](CC(C)(C)C)C1(C)C ZINC001653867440 1118289866 /nfs/dbraw/zinc/28/98/66/1118289866.db2.gz SQFZHMXNEWAVSG-ZIAGYGMSSA-N 0 1 283.456 3.865 20 0 CHADMN CCc1nc(C[N@@H+]2CCC[C@@H]2[C@H](CC)c2ccccc2)no1 ZINC000058523759 1118290031 /nfs/dbraw/zinc/29/00/31/1118290031.db2.gz YTWOOWCVFMAIRP-HZPDHXFCSA-N 0 1 299.418 3.790 20 0 CHADMN CCc1nc(CN2CCC[C@@H]2[C@H](CC)c2ccccc2)no1 ZINC000058523759 1118290034 /nfs/dbraw/zinc/29/00/34/1118290034.db2.gz YTWOOWCVFMAIRP-HZPDHXFCSA-N 0 1 299.418 3.790 20 0 CHADMN CC(C)(NCc1ccc(F)nc1)c1cccc(Cl)c1 ZINC000189121647 1128767796 /nfs/dbraw/zinc/76/77/96/1128767796.db2.gz ATHNODDFMZLKLV-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCCN1CCc2sccc2C1 ZINC000058933292 1118294358 /nfs/dbraw/zinc/29/43/58/1118294358.db2.gz HWBGGBQOZABVQV-UKRRQHHQSA-N 0 1 279.449 3.702 20 0 CHADMN COc1ccc(CN(C)Cc2cc(C)cc(C)n2)cc1C ZINC001167325450 1118294356 /nfs/dbraw/zinc/29/43/56/1118294356.db2.gz BQMFPQZXQFBPNY-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1C[C@H](C)C[C@@H](C)C1 ZINC000060375383 1118298086 /nfs/dbraw/zinc/29/80/86/1118298086.db2.gz SPTDDERBANCRCP-CHWSQXEVSA-N 0 1 289.398 3.673 20 0 CHADMN CCCN(Cc1nc(C(C)C)no1)CC1CCCCC1 ZINC000060495421 1118299333 /nfs/dbraw/zinc/29/93/33/1118299333.db2.gz JKHPCMBYTKGLKH-UHFFFAOYSA-N 0 1 279.428 3.985 20 0 CHADMN Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000235785897 1118302763 /nfs/dbraw/zinc/30/27/63/1118302763.db2.gz BQTISRRMZZBHIM-OAHLLOKOSA-N 0 1 295.810 3.868 20 0 CHADMN Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000235785966 1118302807 /nfs/dbraw/zinc/30/28/07/1118302807.db2.gz BQTISRRMZZBHIM-HNNXBMFYSA-N 0 1 295.810 3.868 20 0 CHADMN COC(=O)c1ccc(CN(C)[C@@H](C)c2ccc(C)cc2)o1 ZINC000061255909 1118305643 /nfs/dbraw/zinc/30/56/43/1118305643.db2.gz XWLZWVDAFNNMHZ-ZDUSSCGKSA-N 0 1 287.359 3.568 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(C)c(C)o2)cc1OC ZINC000282244546 1118307288 /nfs/dbraw/zinc/30/72/88/1118307288.db2.gz QCDBPASRTHJVCC-GFCCVEGCSA-N 0 1 289.375 3.764 20 0 CHADMN CN(CCOc1ccccc1)Cc1ccc(Cl)s1 ZINC000061759056 1118307997 /nfs/dbraw/zinc/30/79/97/1118307997.db2.gz UJZBRXATHBXCHV-UHFFFAOYSA-N 0 1 281.808 3.912 20 0 CHADMN Fc1cc(F)c(CN[C@H]2CCC23CCC3)c(F)c1 ZINC000340501072 1118309117 /nfs/dbraw/zinc/30/91/17/1118309117.db2.gz WMJJIDRMXLSKKT-ZDUSSCGKSA-N 0 1 255.283 3.526 20 0 CHADMN Fc1cc(F)c2c(c1)[C@@H](NCc1ccns1)CCC2 ZINC000639215345 1118309680 /nfs/dbraw/zinc/30/96/80/1118309680.db2.gz ADWPDECGRAWGIX-AWEZNQCLSA-N 0 1 280.343 3.589 20 0 CHADMN COc1ccc(OC)c(CN[C@@H]2CCc3cc(C)ccc32)c1 ZINC001649070422 1118311878 /nfs/dbraw/zinc/31/18/78/1118311878.db2.gz BILAOUCRCSSPNX-GOSISDBHSA-N 0 1 297.398 3.789 20 0 CHADMN CC[C@H](C)C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000340508524 1118312582 /nfs/dbraw/zinc/31/25/82/1118312582.db2.gz JVRULKUQKZWAKP-JTQLQIEISA-N 0 1 283.331 3.808 20 0 CHADMN Cc1noc([C@@H](C)N2CC[C@@](C)(CCc3ccccc3)C2)n1 ZINC000674376044 1118313751 /nfs/dbraw/zinc/31/37/51/1118313751.db2.gz WBHJAIZSPLNOJU-RDTXWAMCSA-N 0 1 299.418 3.784 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@H](C)CC1 ZINC000063308791 1118315500 /nfs/dbraw/zinc/31/55/00/1118315500.db2.gz KPIAEEAVAWDMOR-RYUDHWBXSA-N 0 1 291.420 3.981 20 0 CHADMN COc1cc(CN[C@@H]2CCCc3ccc(C)cc32)sn1 ZINC000639219223 1118315648 /nfs/dbraw/zinc/31/56/48/1118315648.db2.gz DZAJSPQOHGCRCF-OAHLLOKOSA-N 0 1 288.416 3.627 20 0 CHADMN COc1cc([C@@H](C)NCc2ccc(Cl)s2)ccn1 ZINC000340522443 1118316314 /nfs/dbraw/zinc/31/63/14/1118316314.db2.gz ZGQBPOSVKGTEBJ-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@@H]2N[C@@H]1CCC[C@@H]1F ZINC000340524448 1118317602 /nfs/dbraw/zinc/31/76/02/1118317602.db2.gz SGUWQZGWCJXBAK-SOUVJXGZSA-N 0 1 263.356 3.689 20 0 CHADMN CCc1noc(CN2CCC[C@H](c3ccc(CC)cc3)C2)n1 ZINC000671732985 1118321154 /nfs/dbraw/zinc/32/11/54/1118321154.db2.gz GDDAOJVRGCAOJC-INIZCTEOSA-N 0 1 299.418 3.574 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]1F)CCCO2 ZINC000340531725 1118322496 /nfs/dbraw/zinc/32/24/96/1118322496.db2.gz PVOAZWJRRINMEK-MGPQQGTHSA-N 0 1 267.319 3.520 20 0 CHADMN Cc1scc(CN[C@H](C)c2cncs2)c1C ZINC000399817145 1118324186 /nfs/dbraw/zinc/32/41/86/1118324186.db2.gz RFJBHVXHSWTSNZ-SECBINFHSA-N 0 1 252.408 3.672 20 0 CHADMN Cc1cc(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)sn1 ZINC000639227895 1118326296 /nfs/dbraw/zinc/32/62/96/1118326296.db2.gz MMWUAENZEZGEPF-UWVGGRQHSA-N 0 1 278.343 3.614 20 0 CHADMN Cc1cc(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)sn1 ZINC000639227896 1118326340 /nfs/dbraw/zinc/32/63/40/1118326340.db2.gz MMWUAENZEZGEPF-VHSXEESVSA-N 0 1 278.343 3.614 20 0 CHADMN C[C@H]1CN(CCCOc2ccc(Cl)cc2)CC(C)(C)O1 ZINC000065425485 1118334005 /nfs/dbraw/zinc/33/40/05/1118334005.db2.gz LLLZSOGYEWDTTD-ZDUSSCGKSA-N 0 1 297.826 3.608 20 0 CHADMN C[C@H]1CN(CCCOc2cccc(Cl)c2)CC(C)(C)O1 ZINC000065537901 1118334992 /nfs/dbraw/zinc/33/49/92/1118334992.db2.gz OVFITQCGLOVNSB-ZDUSSCGKSA-N 0 1 297.826 3.608 20 0 CHADMN CCN(Cc1ccc(F)nc1)[C@@H](C)c1cccc(O)c1 ZINC000189303104 1128771226 /nfs/dbraw/zinc/77/12/26/1128771226.db2.gz LZGDPOATKOIZOI-LBPRGKRZSA-N 0 1 274.339 3.509 20 0 CHADMN CCCCC[N@@H+](Cc1ccc(C(=O)[O-])s1)C(C)C ZINC000109602018 1118343407 /nfs/dbraw/zinc/34/34/07/1118343407.db2.gz RHBQNNMUEXIGHZ-UHFFFAOYSA-N 0 1 269.410 3.847 20 0 CHADMN C[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000066697199 1118347045 /nfs/dbraw/zinc/34/70/45/1118347045.db2.gz NGRJYDYHNIYELJ-CYBMUJFWSA-N 0 1 256.349 3.574 20 0 CHADMN Cc1oc(-c2ccccc2)nc1CN1CCCCC1 ZINC000066608239 1118347131 /nfs/dbraw/zinc/34/71/31/1118347131.db2.gz INRDVMTWRHBZHE-UHFFFAOYSA-N 0 1 256.349 3.636 20 0 CHADMN CCOc1ccccc1CNCc1cc(C)c(O)c(C)c1 ZINC000067217290 1118351615 /nfs/dbraw/zinc/35/16/15/1118351615.db2.gz AXGCSTDSBAFHAG-UHFFFAOYSA-N 0 1 285.387 3.698 20 0 CHADMN Clc1ccsc1CNc1cnn(-c2ccncc2)c1 ZINC000683769857 1118351749 /nfs/dbraw/zinc/35/17/49/1118351749.db2.gz OOBDIOSVBXBDTF-UHFFFAOYSA-N 0 1 290.779 3.594 20 0 CHADMN CCc1noc(CC)c1CNCc1ccc2cnccc2c1 ZINC000683771977 1118353661 /nfs/dbraw/zinc/35/36/61/1118353661.db2.gz LWZJDHJLRGUFFM-UHFFFAOYSA-N 0 1 295.386 3.637 20 0 CHADMN COc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)c(F)c1 ZINC000580083494 1118375368 /nfs/dbraw/zinc/37/53/68/1118375368.db2.gz WHHXOMCZCYUQPD-MRXNPFEDSA-N 0 1 275.367 3.599 20 0 CHADMN Cc1noc([C@H](C)[N@H+]2C[C@H](c3ccc(C)cc3)C[C@H]2C)n1 ZINC000683800879 1118377317 /nfs/dbraw/zinc/37/73/17/1118377317.db2.gz SMHHFVOBBPLQQJ-DVOMOZLQSA-N 0 1 285.391 3.625 20 0 CHADMN CC1=C(C)C[C@H]([C@H](C)N[C@@H](C)c2csnn2)CC1 ZINC000639266995 1118378042 /nfs/dbraw/zinc/37/80/42/1118378042.db2.gz VEUUDRQCDVEWJR-RWMBFGLXSA-N 0 1 265.426 3.714 20 0 CHADMN CCN(Cc1sc2ccccc2c1Cl)[C@@H](C)CO ZINC000580099704 1118380220 /nfs/dbraw/zinc/38/02/20/1118380220.db2.gz SFLXMGIHPPCCEV-JTQLQIEISA-N 0 1 283.824 3.757 20 0 CHADMN Cc1cc(CN2CCC(c3c[nH]c4ccccc43)CC2)no1 ZINC000073297840 1118380693 /nfs/dbraw/zinc/38/06/93/1118380693.db2.gz VZRJFLBIVLPGSM-UHFFFAOYSA-N 0 1 295.386 3.844 20 0 CHADMN CCCC[C@H](CC)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000073966564 1118385883 /nfs/dbraw/zinc/38/58/83/1118385883.db2.gz DXQPKPBJDIEFIV-KBPBESRZSA-N 0 1 296.480 3.683 20 0 CHADMN C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000683837381 1118402210 /nfs/dbraw/zinc/40/22/10/1118402210.db2.gz FDWWEHXMQLPPHJ-AWEZNQCLSA-N 0 1 277.371 3.823 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3cnccc3c2)nc1 ZINC000683840161 1118405191 /nfs/dbraw/zinc/40/51/91/1118405191.db2.gz RVLTVIMYTGZYHX-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN CCC(C)(C)OCCN[C@@H](C)c1nc(C)sc1C ZINC000308726696 1118413246 /nfs/dbraw/zinc/41/32/46/1118413246.db2.gz GVWJPXIBPVPUQA-JTQLQIEISA-N 0 1 270.442 3.616 20 0 CHADMN Cc1cnc(CN2CCC(Sc3ccccc3)CC2)cn1 ZINC001207080853 1118420041 /nfs/dbraw/zinc/42/00/41/1118420041.db2.gz CQDXQCVWTKJIJA-UHFFFAOYSA-N 0 1 299.443 3.542 20 0 CHADMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1ccccc1C(=O)[O-])C1CC1 ZINC000580319662 1118420969 /nfs/dbraw/zinc/42/09/69/1118420969.db2.gz TYRNKCUMLDDUGT-CHWSQXEVSA-N 0 1 275.392 3.784 20 0 CHADMN CC(C)C[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)C1CC1 ZINC000079076741 1118426824 /nfs/dbraw/zinc/42/68/24/1118426824.db2.gz CGXTWGOJYZKXHM-UHFFFAOYSA-N 0 1 298.789 3.538 20 0 CHADMN CC(C)CN(CC(=O)Nc1ccc(F)cc1Cl)C1CC1 ZINC000079076741 1118426826 /nfs/dbraw/zinc/42/68/26/1118426826.db2.gz CGXTWGOJYZKXHM-UHFFFAOYSA-N 0 1 298.789 3.538 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1ccc(Cl)nc1 ZINC000049726660 1118431922 /nfs/dbraw/zinc/43/19/22/1118431922.db2.gz NEGODRUYOFIUJS-SNVBAGLBSA-N 0 1 266.797 3.990 20 0 CHADMN Cc1nc(C)c(C[N@H+](Cc2ccc(F)cc2)CC2CC2)o1 ZINC000683898743 1118432826 /nfs/dbraw/zinc/43/28/26/1118432826.db2.gz UTFIMLLMEOVSIR-UHFFFAOYSA-N 0 1 288.366 3.843 20 0 CHADMN Cc1nc(C)c(CN(Cc2ccc(F)cc2)CC2CC2)o1 ZINC000683898743 1118432827 /nfs/dbraw/zinc/43/28/27/1118432827.db2.gz UTFIMLLMEOVSIR-UHFFFAOYSA-N 0 1 288.366 3.843 20 0 CHADMN CCCN(Cc1oc(C)nc1C)Cc1ccccc1 ZINC000683897193 1118432831 /nfs/dbraw/zinc/43/28/31/1118432831.db2.gz QZZAGPHQGLJVPB-UHFFFAOYSA-N 0 1 258.365 3.704 20 0 CHADMN Cc1oc(C[N@@H+](C)CCC(C)(C)C2CC2)cc1C(=O)[O-] ZINC000656190757 1118435014 /nfs/dbraw/zinc/43/50/14/1118435014.db2.gz QLSHZHRQGCFSJR-UHFFFAOYSA-N 0 1 279.380 3.544 20 0 CHADMN CC1(c2cc(NCc3[nH]nc4ccccc43)no2)CCCC1 ZINC000683923815 1118444020 /nfs/dbraw/zinc/44/40/20/1118444020.db2.gz FQYGKZMGRJFPNO-UHFFFAOYSA-N 0 1 296.374 3.995 20 0 CHADMN Oc1c(Cl)cc(Cl)cc1/C=N\Cc1cscn1 ZINC000050234203 1118456932 /nfs/dbraw/zinc/45/69/32/1118456932.db2.gz GGAVLEDNRUEQRK-BNNQUZSASA-N 0 1 287.171 3.775 20 0 CHADMN CC[C@H]1c2ccccc2CCN1C(=O)c1cnc(C(C)C)[nH]1 ZINC000073678742 1118459513 /nfs/dbraw/zinc/45/95/13/1118459513.db2.gz CXFCMJDOZQSTST-INIZCTEOSA-N 0 1 297.402 3.683 20 0 CHADMN C[C@H]1CCC(C)(C)N1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000616165323 1128778943 /nfs/dbraw/zinc/77/89/43/1128778943.db2.gz OTWPZMQYENSPJF-LBPRGKRZSA-N 0 1 289.423 3.861 20 0 CHADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000263066231 1118462987 /nfs/dbraw/zinc/46/29/87/1118462987.db2.gz OESCYNIFKZXSBW-NWDGAFQWSA-N 0 1 295.448 3.588 20 0 CHADMN CCN1CCCC[C@@H]1C(=O)N1CCC(C)(C)CC(C)(C)C1 ZINC001648909720 1118483387 /nfs/dbraw/zinc/48/33/87/1118483387.db2.gz DZCCRJXUOOMFNO-OAHLLOKOSA-N 0 1 294.483 3.536 20 0 CHADMN Cn1cncc1Nc1cc(-c2ccccc2)nn1C(C)(C)C ZINC001211246947 1118486537 /nfs/dbraw/zinc/48/65/37/1118486537.db2.gz BKPGBOMEMHBZTB-UHFFFAOYSA-N 0 1 295.390 3.782 20 0 CHADMN Cc1ccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000187617058 1118500407 /nfs/dbraw/zinc/50/04/07/1118500407.db2.gz VGLNMHVAZBESHW-UHFFFAOYSA-N 0 1 290.750 3.846 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN(C[C@@H]2CCCCO2)C2CC2)o1 ZINC000048043489 1118506414 /nfs/dbraw/zinc/50/64/14/1118506414.db2.gz WHMZTQAQSHGHOW-KMFMINBZSA-N 0 1 289.419 3.937 20 0 CHADMN C[C@H](N[C@H]1CCCOC1)c1cc(F)c(Cl)cc1Cl ZINC000109545458 1118531089 /nfs/dbraw/zinc/53/10/89/1118531089.db2.gz SOOCDJVGBOYJEW-IUCAKERBSA-N 0 1 292.181 3.962 20 0 CHADMN COc1cc(F)c(F)cc1CN1[C@H](C)CCC[C@H]1C ZINC001143387383 1118534626 /nfs/dbraw/zinc/53/46/26/1118534626.db2.gz GQVFPIPZIDFXRM-GHMZBOCLSA-N 0 1 269.335 3.736 20 0 CHADMN Cc1cc(OCc2csc(C3CC3)n2)cc(C)n1 ZINC000128176170 1118538243 /nfs/dbraw/zinc/53/82/43/1118538243.db2.gz XVCZWDJWQLBKKM-UHFFFAOYSA-N 0 1 260.362 3.611 20 0 CHADMN Cc1cnn([C@H]2CCN(Cc3ccc(Cl)cc3C)C2)c1 ZINC000352413853 1118539449 /nfs/dbraw/zinc/53/94/49/1118539449.db2.gz CCVUFAFJVYUYDW-INIZCTEOSA-N 0 1 289.810 3.600 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCCN1Cc1cscc1Cl ZINC000684148480 1118541560 /nfs/dbraw/zinc/54/15/60/1118541560.db2.gz NBMIDEGDLHLEBX-PWSUYJOCSA-N 0 1 273.829 3.527 20 0 CHADMN Cc1cnccc1C[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000651977293 1118543634 /nfs/dbraw/zinc/54/36/34/1118543634.db2.gz DBXUNDUWYTXPMM-OAHLLOKOSA-N 0 1 266.388 3.552 20 0 CHADMN c1cc2c(s1)CCC[N@H+](Cc1ccc3c(n1)CCC3)C2 ZINC000656437988 1118550199 /nfs/dbraw/zinc/55/01/99/1118550199.db2.gz BRUYIEAYUKLHTO-UHFFFAOYSA-N 0 1 284.428 3.580 20 0 CHADMN c1cc2c(s1)CCCN(Cc1ccc3c(n1)CCC3)C2 ZINC000656437988 1118550200 /nfs/dbraw/zinc/55/02/00/1118550200.db2.gz BRUYIEAYUKLHTO-UHFFFAOYSA-N 0 1 284.428 3.580 20 0 CHADMN Cc1cc2[nH]c(Cc3cc(C)ccc3C)nc(=O)c2s1 ZINC000656491891 1118565213 /nfs/dbraw/zinc/56/52/13/1118565213.db2.gz SESNYWKAWYAJRX-UHFFFAOYSA-N 0 1 284.384 3.913 20 0 CHADMN CC1(C)CCCN1Cc1sc(N2CCCC2)nc1Cl ZINC001140360968 1118565579 /nfs/dbraw/zinc/56/55/79/1118565579.db2.gz UCMDVHXQEKFZJF-UHFFFAOYSA-N 0 1 299.871 3.771 20 0 CHADMN CCOc1ccc([C@H](C)NCc2ncccc2C)cc1 ZINC000071339296 1118566484 /nfs/dbraw/zinc/56/64/84/1118566484.db2.gz SBQQXBIIZRNZPH-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN Fc1ccc2c(c1)[C@H]([N@H+]1CCOC3(CCCC3)C1)CCC2 ZINC000510394959 1118567134 /nfs/dbraw/zinc/56/71/34/1118567134.db2.gz JPWDVHUKDBRYNU-QGZVFWFLSA-N 0 1 289.394 3.848 20 0 CHADMN Fc1ccc2c(c1)[C@H](N1CCOC3(CCCC3)C1)CCC2 ZINC000510394959 1118567138 /nfs/dbraw/zinc/56/71/38/1118567138.db2.gz JPWDVHUKDBRYNU-QGZVFWFLSA-N 0 1 289.394 3.848 20 0 CHADMN C/C(=C/c1ccccc1Cl)c1nc([C@@H]2CCCN2)no1 ZINC000647156933 1118571380 /nfs/dbraw/zinc/57/13/80/1118571380.db2.gz WBNZZMSLCHZBPS-XPSMFNQNSA-N 0 1 289.766 3.708 20 0 CHADMN FC1(F)CC[C@@H](c2noc(-c3ccc4[nH]cnc4c3)n2)C1 ZINC000924050579 1118574946 /nfs/dbraw/zinc/57/49/46/1118574946.db2.gz BVCDKHFIPJZVAP-SECBINFHSA-N 0 1 290.273 3.516 20 0 CHADMN Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2c2ccccc2)n[nH]1 ZINC000616328938 1128786806 /nfs/dbraw/zinc/78/68/06/1128786806.db2.gz QUBIUNLUOMYDIF-DOTOQJQBSA-N 0 1 297.402 3.517 20 0 CHADMN Cc1cnc(CN[C@H](c2ccccc2C)C(C)C)n1C ZINC000341020338 1118587514 /nfs/dbraw/zinc/58/75/14/1118587514.db2.gz RBTVPRACMRWHRA-KRWDZBQOSA-N 0 1 271.408 3.524 20 0 CHADMN COc1ccc2[nH]cc(CN3CCC[C@@](C)(F)C3)c2c1 ZINC001138503637 1128787460 /nfs/dbraw/zinc/78/74/60/1128787460.db2.gz HUKRUGUHRDIHAG-MRXNPFEDSA-N 0 1 276.355 3.501 20 0 CHADMN CCc1ccc(C)nc1N[C@H]1CCO[C@H](C(C)C)C1 ZINC000668478577 1118597822 /nfs/dbraw/zinc/59/78/22/1118597822.db2.gz ORSHICZNGDUTDF-GJZGRUSLSA-N 0 1 262.397 3.568 20 0 CHADMN CC(C)Cn1cc(CN2CCc3ccccc3[C@@H]2C)cn1 ZINC000341127066 1118604423 /nfs/dbraw/zinc/60/44/23/1118604423.db2.gz DJQHEHOMNWDDGR-HNNXBMFYSA-N 0 1 283.419 3.658 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(F)c(F)cc1OC ZINC001143394591 1118605447 /nfs/dbraw/zinc/60/54/47/1118605447.db2.gz IQRDENQMHWVIEU-GFCCVEGCSA-N 0 1 269.335 3.738 20 0 CHADMN CN(Cc1nc(-c2cccs2)no1)[C@@H]1CCC(C)(C)C1 ZINC000348670534 1118612493 /nfs/dbraw/zinc/61/24/93/1118612493.db2.gz JAKBELTYRPRPOU-LLVKDONJSA-N 0 1 291.420 3.809 20 0 CHADMN CN(C)c1ccc(CN2CCC[C@H]2c2ccc(F)cc2)cn1 ZINC000124094789 1118613312 /nfs/dbraw/zinc/61/33/12/1118613312.db2.gz TULBXJBNAKUXQI-KRWDZBQOSA-N 0 1 299.393 3.624 20 0 CHADMN Clc1ccc([C@H]2C[C@H]2CN2CCCCC23COC3)cc1 ZINC001207190180 1118613649 /nfs/dbraw/zinc/61/36/49/1118613649.db2.gz HHXDUYKNPXUIPL-GOEBONIOSA-N 0 1 291.822 3.698 20 0 CHADMN CC1(C)CCN(Cc2nc3ccc(F)cc3o2)CC1 ZINC000341191544 1118615596 /nfs/dbraw/zinc/61/55/96/1118615596.db2.gz QQXRPCUJUHDMOY-UHFFFAOYSA-N 0 1 262.328 3.589 20 0 CHADMN Cc1ccn2c(C[N@H+]3CCC=C(c4ccco4)C3)cnc2c1 ZINC000348671504 1118619486 /nfs/dbraw/zinc/61/94/86/1118619486.db2.gz KNSKZMHDIQFZOI-UHFFFAOYSA-N 0 1 293.370 3.525 20 0 CHADMN Cc1ccn2c(CN3CCC=C(c4ccco4)C3)cnc2c1 ZINC000348671504 1118619487 /nfs/dbraw/zinc/61/94/87/1118619487.db2.gz KNSKZMHDIQFZOI-UHFFFAOYSA-N 0 1 293.370 3.525 20 0 CHADMN C[C@@H](NCCF)c1cccc(NC(=O)c2ccccc2)c1 ZINC000341212634 1118623090 /nfs/dbraw/zinc/62/30/90/1118623090.db2.gz QHQICTXYROKGMB-CYBMUJFWSA-N 0 1 286.350 3.559 20 0 CHADMN CC(C)[N@@H+](Cc1cccc(Cl)c1[O-])C1CCC1 ZINC000180400541 1128790059 /nfs/dbraw/zinc/79/00/59/1128790059.db2.gz IBVRRSHRCCFWOM-UHFFFAOYSA-N 0 1 253.773 3.809 20 0 CHADMN CC(C)CC[N@@H+](Cc1cccc(Cl)n1)C1CC1 ZINC000075637648 1118637578 /nfs/dbraw/zinc/63/75/78/1118637578.db2.gz NHKOCLOKXVJFOM-UHFFFAOYSA-N 0 1 252.789 3.746 20 0 CHADMN CCCCOc1ccc(CN2CC3(CC(F)C3)C2)cc1 ZINC000656693998 1118638304 /nfs/dbraw/zinc/63/83/04/1118638304.db2.gz SVNOHAIXYQRCBK-UHFFFAOYSA-N 0 1 277.383 3.799 20 0 CHADMN Cc1cn[nH]c1CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000290311979 1118639726 /nfs/dbraw/zinc/63/97/26/1118639726.db2.gz APZGIELJMZXBFZ-CQSZACIVSA-N 0 1 298.415 3.665 20 0 CHADMN O[C@H](CCc1ccccc1)CN1CC[C@@H]1c1ccc(F)cc1 ZINC000656707589 1118641334 /nfs/dbraw/zinc/64/13/34/1118641334.db2.gz DWEAQFQOIDFHHB-RTBURBONSA-N 0 1 299.389 3.566 20 0 CHADMN CC(C)n1nccc1CN1CCC[C@H]1c1ccc(O)cc1 ZINC000684358422 1118646463 /nfs/dbraw/zinc/64/64/63/1118646463.db2.gz VBQGZNVLJJSEPZ-KRWDZBQOSA-N 0 1 285.391 3.507 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccccn2)C(C)C)cc1[N+](=O)[O-] ZINC000076902244 1128791562 /nfs/dbraw/zinc/79/15/62/1128791562.db2.gz BRTHQTALFDBVEG-QGZVFWFLSA-N 0 1 299.374 3.785 20 0 CHADMN Cc1ncc(CN[C@@H]2CCc3cc(Cl)ccc32)s1 ZINC000110058465 1118652406 /nfs/dbraw/zinc/65/24/06/1118652406.db2.gz UNTMTWGXPXLTJS-CQSZACIVSA-N 0 1 278.808 3.882 20 0 CHADMN Cc1ccnc(NCc2nccn2C(C)C)c1C1CC1 ZINC000656779970 1118654637 /nfs/dbraw/zinc/65/46/37/1118654637.db2.gz YLYVAZZLILAGNG-UHFFFAOYSA-N 0 1 270.380 3.657 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2ccc3c(c2)OCO3)s1 ZINC000090401775 1118655622 /nfs/dbraw/zinc/65/56/22/1118655622.db2.gz XVGJJRQKWNLYTB-NXEZZACHSA-N 0 1 290.388 3.592 20 0 CHADMN Nc1ccc2c(c1)CC[C@@H]2NCc1cccc(Cl)c1F ZINC000656792254 1118658929 /nfs/dbraw/zinc/65/89/29/1118658929.db2.gz SIATVNRTMLCSNH-HNNXBMFYSA-N 0 1 290.769 3.838 20 0 CHADMN CN(Cc1nc(C(C)(C)C)co1)C1CCCCC1 ZINC000891445595 1118661031 /nfs/dbraw/zinc/66/10/31/1118661031.db2.gz DCQPQAYEDWSCRB-UHFFFAOYSA-N 0 1 250.386 3.737 20 0 CHADMN FC1(F)CCCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000625767387 1118663136 /nfs/dbraw/zinc/66/31/36/1118663136.db2.gz RAZQSSAWSXJCPE-UHFFFAOYSA-N 0 1 292.329 3.963 20 0 CHADMN Cl/C=C\CSc1nnc(CCC2CCCC2)[nH]1 ZINC000255361614 1118671257 /nfs/dbraw/zinc/67/12/57/1118671257.db2.gz RQQYXUYTAZZRSJ-BAQGIRSFSA-N 0 1 271.817 3.772 20 0 CHADMN Cl/C=C\CSc1nc(CCC2CCCC2)n[nH]1 ZINC000255361614 1118671258 /nfs/dbraw/zinc/67/12/58/1118671258.db2.gz RQQYXUYTAZZRSJ-BAQGIRSFSA-N 0 1 271.817 3.772 20 0 CHADMN Cc1cc(CNC(C)(C)c2c(C)noc2C)c(C)s1 ZINC000285600453 1118674472 /nfs/dbraw/zinc/67/44/72/1118674472.db2.gz WPAKCXKKFWKNQI-UHFFFAOYSA-N 0 1 278.421 3.995 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cc(C)cc(C)n2)cc1 ZINC000723629955 1118675573 /nfs/dbraw/zinc/67/55/73/1118675573.db2.gz ZDOVJDCIMVXUAB-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN CCOc1cccc(CN[C@@H](C)c2cnc(C)s2)c1 ZINC000090403061 1118676155 /nfs/dbraw/zinc/67/61/55/1118676155.db2.gz IYVPUYBMQNLWMM-NSHDSACASA-N 0 1 276.405 3.701 20 0 CHADMN CCc1cccc(F)c1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000684393977 1118677281 /nfs/dbraw/zinc/67/72/81/1118677281.db2.gz VIBQLBBAWKDSGN-LBPRGKRZSA-N 0 1 287.325 3.592 20 0 CHADMN CCc1cccc(F)c1CN1CCC[C@H](OC(F)F)C1 ZINC000684393977 1118677284 /nfs/dbraw/zinc/67/72/84/1118677284.db2.gz VIBQLBBAWKDSGN-LBPRGKRZSA-N 0 1 287.325 3.592 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)CC1 ZINC000079054308 1118682869 /nfs/dbraw/zinc/68/28/69/1118682869.db2.gz IIRLWOKLTCQCCZ-GFCCVEGCSA-N 0 1 252.789 3.747 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cn(C(C)C)nc1C ZINC000341390603 1118685600 /nfs/dbraw/zinc/68/56/00/1118685600.db2.gz CXBNIRXTHAZFLR-CQSZACIVSA-N 0 1 286.423 3.581 20 0 CHADMN COc1cccc([C@H](C)NCc2cc(C)cc(C)n2)c1 ZINC000723661677 1118696754 /nfs/dbraw/zinc/69/67/54/1118696754.db2.gz ZXMLDFNPXIAXLX-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cc3ccccc3[nH]2)s1 ZINC000090406424 1118700702 /nfs/dbraw/zinc/70/07/02/1118700702.db2.gz OKOJZACMTAKSIY-SNVBAGLBSA-N 0 1 271.389 3.784 20 0 CHADMN COc1cccc(CN2CCCC(C)(C)C2)c1OC(F)F ZINC000510470614 1118715912 /nfs/dbraw/zinc/71/59/12/1118715912.db2.gz WENHHPIOGUPJLW-UHFFFAOYSA-N 0 1 299.361 3.919 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2cccs2)o1 ZINC000891640065 1118728492 /nfs/dbraw/zinc/72/84/92/1118728492.db2.gz MHDZNPFTYNWGAK-JTQLQIEISA-N 0 1 251.351 3.543 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1cn(C)nc1C1CC1 ZINC000891638852 1118728665 /nfs/dbraw/zinc/72/86/65/1118728665.db2.gz BOXDOPZDNQCRCV-NSHDSACASA-N 0 1 275.421 3.552 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1ccc(C)c(C)c1)CCO2 ZINC000341548552 1118735735 /nfs/dbraw/zinc/73/57/35/1118735735.db2.gz AQEAEDQMYCBCAK-SFHVURJKSA-N 0 1 297.398 3.925 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cccc3[nH]ccc31)CO2 ZINC000341548710 1118735741 /nfs/dbraw/zinc/73/57/41/1118735741.db2.gz JZKRPVSCQGZKIX-INIZCTEOSA-N 0 1 282.318 3.530 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2c2ccccc2C)[nH]c1C ZINC000628134954 1118741374 /nfs/dbraw/zinc/74/13/74/1118741374.db2.gz IULVIRUSNZAFBI-MRXNPFEDSA-N 0 1 269.392 3.672 20 0 CHADMN CCC(CC)C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000510492781 1118743297 /nfs/dbraw/zinc/74/32/97/1118743297.db2.gz SYMQRDVPGMJTKC-UHFFFAOYSA-N 0 1 283.419 3.667 20 0 CHADMN Cc1cc(CNCc2ccnn2CC(C)C)ccc1Cl ZINC000647201393 1118744646 /nfs/dbraw/zinc/74/46/46/1118744646.db2.gz LVXGXJWFKRVIJH-UHFFFAOYSA-N 0 1 291.826 3.791 20 0 CHADMN CCN(Cc1cnc(F)c(C)c1)[C@H](C)c1cccc(O)c1 ZINC000891713428 1118749790 /nfs/dbraw/zinc/74/97/90/1118749790.db2.gz DFJNBDOXOFHWIK-CYBMUJFWSA-N 0 1 288.366 3.818 20 0 CHADMN CCSc1cccc(CN[C@@H](CO)c2ccsc2)c1 ZINC000349561502 1118750076 /nfs/dbraw/zinc/75/00/76/1118750076.db2.gz ATHUSNXTTVWVMP-HNNXBMFYSA-N 0 1 293.457 3.683 20 0 CHADMN COc1cccc(-c2csc(CN(C)CC3CC3)n2)c1 ZINC000891736162 1118752901 /nfs/dbraw/zinc/75/29/01/1118752901.db2.gz IYEPJVOMCZMYRY-UHFFFAOYSA-N 0 1 288.416 3.661 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1ccnc(C2CC2)c1 ZINC000341598752 1118753881 /nfs/dbraw/zinc/75/38/81/1118753881.db2.gz GMTAKVOCLOVALP-UHFFFAOYSA-N 0 1 288.734 3.570 20 0 CHADMN CN(Cc1nc2cccnc2s1)[C@H]1CCc2ccccc21 ZINC000341610685 1118757788 /nfs/dbraw/zinc/75/77/88/1118757788.db2.gz FWMVSLBXXZKUTN-HNNXBMFYSA-N 0 1 295.411 3.811 20 0 CHADMN Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCCC(C)(C)C1 ZINC000510539165 1118766897 /nfs/dbraw/zinc/76/68/97/1118766897.db2.gz PGMLQOQXYCEFKS-UHFFFAOYSA-N 0 1 291.826 3.849 20 0 CHADMN Cn1c2ccc(Cl)cc2nc1CN1CCCC(C)(C)C1 ZINC000510539165 1118766898 /nfs/dbraw/zinc/76/68/98/1118766898.db2.gz PGMLQOQXYCEFKS-UHFFFAOYSA-N 0 1 291.826 3.849 20 0 CHADMN C[C@H]1CN([C@@H]2CCCc3ccc(F)cc32)CC(C)(C)O1 ZINC000510584841 1118771493 /nfs/dbraw/zinc/77/14/93/1118771493.db2.gz QLBWFBPBWPMVSC-BLLLJJGKSA-N 0 1 277.383 3.702 20 0 CHADMN CC(C)CCOCCN[C@@H](C)c1cccc(F)c1F ZINC000223940283 1118775297 /nfs/dbraw/zinc/77/52/97/1118775297.db2.gz HSZHUVWSFMVGFB-LBPRGKRZSA-N 0 1 271.351 3.678 20 0 CHADMN COc1ccc(CN2CC(C)=C[C@@H](C)C2)c(Cl)c1OC ZINC000430881894 1118781906 /nfs/dbraw/zinc/78/19/06/1118781906.db2.gz FQCIQLQMVNVFIU-LLVKDONJSA-N 0 1 295.810 3.755 20 0 CHADMN c1nc2cc(-c3noc([C@H]4C[C@H]4C4CCCC4)n3)ccc2[nH]1 ZINC000650558026 1118793860 /nfs/dbraw/zinc/79/38/60/1118793860.db2.gz AFDUYAAVUBDLAK-STQMWFEESA-N 0 1 294.358 3.907 20 0 CHADMN CC[C@@H](N[C@@H](C)CCc1ccc(F)cc1)C(F)F ZINC000449361122 1118794981 /nfs/dbraw/zinc/79/49/81/1118794981.db2.gz KOFJAOHLVVVCSJ-GXFFZTMASA-N 0 1 259.315 3.780 20 0 CHADMN C[C@@H](C#N)CN(C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000068870435 1128801712 /nfs/dbraw/zinc/80/17/12/1128801712.db2.gz RKMVWAVPJFHBLD-LBPRGKRZSA-N 0 1 298.386 3.609 20 0 CHADMN CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(COC)o1 ZINC000091897132 1118812895 /nfs/dbraw/zinc/81/28/95/1118812895.db2.gz YXEPGTVHRJUSTG-HNNXBMFYSA-N 0 1 291.416 3.997 20 0 CHADMN CC[C@H]1c2ccsc2CCN1Cc1ccc(COC)o1 ZINC000091897132 1118812898 /nfs/dbraw/zinc/81/28/98/1118812898.db2.gz YXEPGTVHRJUSTG-HNNXBMFYSA-N 0 1 291.416 3.997 20 0 CHADMN COc1ccc(F)c(F)c1CN1CCC[C@H]2CCC[C@H]21 ZINC001143412055 1118821360 /nfs/dbraw/zinc/82/13/60/1118821360.db2.gz FWUIFWRJXPGRQZ-BXUZGUMPSA-N 0 1 281.346 3.738 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cccc(C(F)F)c1 ZINC000132287049 1118846337 /nfs/dbraw/zinc/84/63/37/1118846337.db2.gz POZRKRFAEMDEKV-CQSZACIVSA-N 0 1 297.345 3.844 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2OC)o1 ZINC000891915619 1118846403 /nfs/dbraw/zinc/84/64/03/1118846403.db2.gz IVUTULJPMLFOPT-HNNXBMFYSA-N 0 1 287.359 3.634 20 0 CHADMN COc1ccc(CN2CCC[C@H]2c2ccccc2OC)o1 ZINC000891915619 1118846409 /nfs/dbraw/zinc/84/64/09/1118846409.db2.gz IVUTULJPMLFOPT-HNNXBMFYSA-N 0 1 287.359 3.634 20 0 CHADMN CCCCOCCCNc1cc[nH+]c2c([O-])cccc12 ZINC000684565556 1118847731 /nfs/dbraw/zinc/84/77/31/1118847731.db2.gz NEJJDBAEIYXKJK-UHFFFAOYSA-N 0 1 274.364 3.559 20 0 CHADMN CSCc1ccc(CN(C)Cc2scnc2C)cc1 ZINC000891924806 1118852637 /nfs/dbraw/zinc/85/26/37/1118852637.db2.gz XITUKZZDECVSQE-UHFFFAOYSA-N 0 1 292.473 3.947 20 0 CHADMN c1nc(C2CC2)c(C[N@H+]2CCC[C@H]2c2cccnc2)s1 ZINC000348894762 1118859682 /nfs/dbraw/zinc/85/96/82/1118859682.db2.gz PQAXMBVFCBOADA-AWEZNQCLSA-N 0 1 285.416 3.753 20 0 CHADMN c1nc(C2CC2)c(CN2CCC[C@H]2c2cccnc2)s1 ZINC000348894762 1118859686 /nfs/dbraw/zinc/85/96/86/1118859686.db2.gz PQAXMBVFCBOADA-AWEZNQCLSA-N 0 1 285.416 3.753 20 0 CHADMN C[C@H](N[C@@H](C)c1cncc(F)c1)c1ccc(F)c(F)c1 ZINC000133293083 1118863112 /nfs/dbraw/zinc/86/31/12/1118863112.db2.gz QWGFYCXWGBUZEE-UWVGGRQHSA-N 0 1 280.293 3.911 20 0 CHADMN Cc1ccccc1C1(NCc2cccc3c2OCO3)CC1 ZINC000647224768 1118868244 /nfs/dbraw/zinc/86/82/44/1118868244.db2.gz YNAIKNGQAWRPPO-UHFFFAOYSA-N 0 1 281.355 3.503 20 0 CHADMN Cc1csc([C@H](C)CNc2cc[nH+]c3c([O-])cccc23)n1 ZINC000684581276 1118868786 /nfs/dbraw/zinc/86/87/86/1118868786.db2.gz MDTXQMSIRZVAKC-SNVBAGLBSA-N 0 1 299.399 3.921 20 0 CHADMN [O-]c1cccc2c(NCCC[C@@H]3CCCCO3)cc[nH+]c12 ZINC000684581736 1118868978 /nfs/dbraw/zinc/86/89/78/1118868978.db2.gz QGVOQLPHXKMLSA-ZDUSSCGKSA-N 0 1 286.375 3.702 20 0 CHADMN [O-]c1cccc2c(N3CCc4cccc(F)c4C3)cc[nH+]c12 ZINC000684580995 1118869169 /nfs/dbraw/zinc/86/91/69/1118869169.db2.gz HYBGEVMUXVGELZ-UHFFFAOYSA-N 0 1 294.329 3.642 20 0 CHADMN CC1(C)C[C@H](Nc2cc[nH+]c3c([O-])cccc23)C(C)(C)O1 ZINC000684580874 1118869504 /nfs/dbraw/zinc/86/95/04/1118869504.db2.gz MLNXTJGBJNCRKN-AWEZNQCLSA-N 0 1 286.375 3.698 20 0 CHADMN C[C@H]1CC2(CCC2)CN1c1cc[nH+]c2c([O-])cccc12 ZINC000684591411 1118881053 /nfs/dbraw/zinc/88/10/53/1118881053.db2.gz YJKIPOBJLNGPFF-LBPRGKRZSA-N 0 1 268.360 3.709 20 0 CHADMN CCN(Cc1cnn(C(C)(C)C)c1)Cc1ccc(C)cc1 ZINC000535785917 1118886976 /nfs/dbraw/zinc/88/69/76/1118886976.db2.gz RYRFUTZVBDUAKU-UHFFFAOYSA-N 0 1 285.435 3.969 20 0 CHADMN c1nc(CCc2ccccc2)sc1CN1CC[C@H]1C1CC1 ZINC000449424404 1118887537 /nfs/dbraw/zinc/88/75/37/1118887537.db2.gz DTODUWAEXFXWCO-KRWDZBQOSA-N 0 1 298.455 3.913 20 0 CHADMN c1nc(CCc2ccccc2)sc1CN1CC[C@@H]1C1CC1 ZINC000449424407 1118887661 /nfs/dbraw/zinc/88/76/61/1118887661.db2.gz DTODUWAEXFXWCO-QGZVFWFLSA-N 0 1 298.455 3.913 20 0 CHADMN COc1ccccc1/C=C\CN1CCC[C@@H]1c1ccccn1 ZINC000535780609 1118887704 /nfs/dbraw/zinc/88/77/04/1118887704.db2.gz NZKZGKJGOISLDR-OTIVFRFGSA-N 0 1 294.398 3.941 20 0 CHADMN Cn1ccc(CN2CCCCC[C@H]2/C=C/c2ccccc2)n1 ZINC000535825596 1118902029 /nfs/dbraw/zinc/90/20/29/1118902029.db2.gz HWUUHXBCPLVBIO-CVTTXWKISA-N 0 1 295.430 3.878 20 0 CHADMN CO[C@H]1CCCN(Cc2cnc(C3CCCCC3)s2)C1 ZINC000535837153 1118905109 /nfs/dbraw/zinc/90/51/09/1118905109.db2.gz QRQNMYNEMLYPAO-AWEZNQCLSA-N 0 1 294.464 3.802 20 0 CHADMN Cc1cccc([C@@H](NCc2ccnc(C)n2)C(C)(C)C)c1 ZINC000684619672 1118907788 /nfs/dbraw/zinc/90/77/88/1118907788.db2.gz JRHNAXOFLSARDH-QGZVFWFLSA-N 0 1 283.419 3.970 20 0 CHADMN Cc1ccc2nc(S[C@H]3COC(C)(C)C3)[nH]c2c1 ZINC000657227065 1118925632 /nfs/dbraw/zinc/92/56/32/1118925632.db2.gz ABBZPLYENQIFSG-SNVBAGLBSA-N 0 1 262.378 3.531 20 0 CHADMN Cc1ccc2nc(S[C@@H]3COC(C)(C)C3)[nH]c2c1 ZINC000657227062 1118926005 /nfs/dbraw/zinc/92/60/05/1118926005.db2.gz ABBZPLYENQIFSG-JTQLQIEISA-N 0 1 262.378 3.531 20 0 CHADMN Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(O)c(F)c2)s1 ZINC000891991788 1118930757 /nfs/dbraw/zinc/93/07/57/1118930757.db2.gz HUKYXXDZLORYNC-JTQLQIEISA-N 0 1 294.395 3.798 20 0 CHADMN Cc1nc(C)c([C@H](C)N(C)Cc2ccc(O)c(F)c2)s1 ZINC000891991788 1118930759 /nfs/dbraw/zinc/93/07/59/1118930759.db2.gz HUKYXXDZLORYNC-JTQLQIEISA-N 0 1 294.395 3.798 20 0 CHADMN C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1nccc2c1CCCC2 ZINC000892010203 1118936337 /nfs/dbraw/zinc/93/63/37/1118936337.db2.gz RANIPJRHPRMXKY-AWEZNQCLSA-N 0 1 296.414 3.859 20 0 CHADMN C[C@@H](c1cccc(O)c1)N(C)Cc1nccc2c1CCCC2 ZINC000892010203 1118936340 /nfs/dbraw/zinc/93/63/40/1118936340.db2.gz RANIPJRHPRMXKY-AWEZNQCLSA-N 0 1 296.414 3.859 20 0 CHADMN Cc1cc(CN[C@H]2CCSc3ccc(F)cc32)sn1 ZINC000404454834 1118947174 /nfs/dbraw/zinc/94/71/74/1118947174.db2.gz UQKZCTOTITUILS-ZDUSSCGKSA-N 0 1 294.420 3.917 20 0 CHADMN Cc1cc(CN[C@@H]2CCSc3ccc(F)cc32)sn1 ZINC000404454832 1118947429 /nfs/dbraw/zinc/94/74/29/1118947429.db2.gz UQKZCTOTITUILS-CYBMUJFWSA-N 0 1 294.420 3.917 20 0 CHADMN CCSc1cccc(CNc2ccc3nn[nH]c3c2)c1 ZINC000349663157 1118951906 /nfs/dbraw/zinc/95/19/06/1118951906.db2.gz CPULHHWRCHOYKO-UHFFFAOYSA-N 0 1 284.388 3.682 20 0 CHADMN CCSc1cccc(CNc2ccc3n[nH]nc3c2)c1 ZINC000349663157 1118951909 /nfs/dbraw/zinc/95/19/09/1118951909.db2.gz CPULHHWRCHOYKO-UHFFFAOYSA-N 0 1 284.388 3.682 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1C[C@H](c2ccccc2)C1 ZINC000926342395 1118953429 /nfs/dbraw/zinc/95/34/29/1118953429.db2.gz LCWNCRAARYHACX-JYJNAYRXSA-N 0 1 282.387 3.896 20 0 CHADMN CN(Cc1nccn1C1CC1)C1CCC(C)(C)CC1 ZINC000892069137 1118954729 /nfs/dbraw/zinc/95/47/29/1118954729.db2.gz YBUJITXNCWAIPH-UHFFFAOYSA-N 0 1 261.413 3.619 20 0 CHADMN c1nc2cc(-c3noc([C@@H]4CC45CCCC5)n3)ccc2[nH]1 ZINC000545023852 1118957304 /nfs/dbraw/zinc/95/73/04/1118957304.db2.gz GYXHENKGAOPYMP-NSHDSACASA-N 0 1 280.331 3.661 20 0 CHADMN Cn1ncc(C2CCC2)c1CNCc1cccc(Cl)c1 ZINC000657285866 1118957455 /nfs/dbraw/zinc/95/74/55/1118957455.db2.gz NOGZGIOWQPDXPA-UHFFFAOYSA-N 0 1 289.810 3.631 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1c(Cl)n[nH]c1C1CC1 ZINC000892083853 1118960594 /nfs/dbraw/zinc/96/05/94/1118960594.db2.gz LCLHDNHPBJLAAC-SECBINFHSA-N 0 1 287.860 3.514 20 0 CHADMN CC[C@H](CNCc1nccc(C(F)F)n1)c1ccccc1 ZINC000342262985 1118960674 /nfs/dbraw/zinc/96/06/74/1118960674.db2.gz IWDVQGRYGQWLJV-GFCCVEGCSA-N 0 1 291.345 3.698 20 0 CHADMN Cn1ncc(C2CCC2)c1CNCc1ccc(Cl)cc1 ZINC000657291634 1118962004 /nfs/dbraw/zinc/96/20/04/1118962004.db2.gz ZGJGZAZYSARAMO-UHFFFAOYSA-N 0 1 289.810 3.631 20 0 CHADMN COc1cc([C@H](C)NCc2cnc(C(C)C)s2)ccn1 ZINC000342285849 1118968211 /nfs/dbraw/zinc/96/82/11/1118968211.db2.gz JKAFHDJNURLKJV-NSHDSACASA-N 0 1 291.420 3.521 20 0 CHADMN OCC[C@H](NCc1ccsc1)c1ccc(Cl)cc1 ZINC000342291307 1118968588 /nfs/dbraw/zinc/96/85/88/1118968588.db2.gz YCQINDVLQULSDO-AWEZNQCLSA-N 0 1 281.808 3.615 20 0 CHADMN Cc1nc(CN(Cc2ccccc2)[C@@H](C)C2CC2)[nH]c1C ZINC000628119518 1128812745 /nfs/dbraw/zinc/81/27/45/1128812745.db2.gz XQIJRQOBFHYTSL-HNNXBMFYSA-N 0 1 283.419 3.827 20 0 CHADMN Cc1cnc2c(c1)C[N@H+](CCC1CCCCC1)CC2 ZINC001207261086 1118982102 /nfs/dbraw/zinc/98/21/02/1118982102.db2.gz LOGMCSXGRITZQK-UHFFFAOYSA-N 0 1 258.409 3.719 20 0 CHADMN Clc1cc2c(c(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)c1)OCC2 ZINC000544022293 1118985315 /nfs/dbraw/zinc/98/53/15/1118985315.db2.gz NYHKEOYCICAYEV-BETUJISGSA-N 0 1 277.795 3.507 20 0 CHADMN CCCN(Cc1cnc(C2CC2)o1)Cc1ccccc1 ZINC000628119220 1128813921 /nfs/dbraw/zinc/81/39/21/1128813921.db2.gz HRRLWZPLPDVQKC-UHFFFAOYSA-N 0 1 270.376 3.964 20 0 CHADMN C[C@H]1CCCN(Cc2nc3ccc(F)cc3o2)[C@H]1C ZINC000342365924 1118993137 /nfs/dbraw/zinc/99/31/37/1118993137.db2.gz WVIQCTZVPUOXCW-QWRGUYRKSA-N 0 1 262.328 3.587 20 0 CHADMN CC1(C)Cc2occc2[C@@H](NCc2ccc3c(c2)OCO3)C1 ZINC000152065056 1118998693 /nfs/dbraw/zinc/99/86/93/1118998693.db2.gz MPOYNQAMYYELPV-AWEZNQCLSA-N 0 1 299.370 3.812 20 0 CHADMN Cc1cc(C)nc(CN2Cc3ccccc3C[C@H]2C)c1 ZINC001167544790 1118999869 /nfs/dbraw/zinc/99/98/69/1118999869.db2.gz VVBSKPQMHAUMKU-OAHLLOKOSA-N 0 1 266.388 3.645 20 0 CHADMN Cc1occc1CNCc1cc2ccc(C)cc2[nH]1 ZINC000657325472 1119001806 /nfs/dbraw/zinc/00/18/06/1119001806.db2.gz FZHIAFANKDAJAF-UHFFFAOYSA-N 0 1 254.333 3.668 20 0 CHADMN CC[C@@H]1CCC[C@@H]1NCc1nc(C(C)(C)C)co1 ZINC000724433414 1119003195 /nfs/dbraw/zinc/00/31/95/1119003195.db2.gz HYLWQTDEWCFZAO-NEPJUHHUSA-N 0 1 250.386 3.640 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc(Cn3ccnc3)cc2)o1 ZINC000152124668 1119004541 /nfs/dbraw/zinc/00/45/41/1119004541.db2.gz ZBXGIWFXJKDHMU-HNNXBMFYSA-N 0 1 295.386 3.684 20 0 CHADMN CCCN(Cc1nc(C)c[nH]1)[C@H]1CCc2ccccc21 ZINC000628139845 1128816105 /nfs/dbraw/zinc/81/61/05/1128816105.db2.gz RPJKUWQNAZOIQG-INIZCTEOSA-N 0 1 269.392 3.618 20 0 CHADMN COc1cc2c(cc1F)CC[C@@H]2N[C@H](C)c1ccoc1 ZINC000582134131 1119020920 /nfs/dbraw/zinc/02/09/20/1119020920.db2.gz GVRVYWZBISGFPS-BMIGLBTASA-N 0 1 275.323 3.765 20 0 CHADMN CC(C)c1nnc(CN[C@H]2CCCC[C@@H]2C(C)(C)C)o1 ZINC000108367080 1119024780 /nfs/dbraw/zinc/02/47/80/1119024780.db2.gz YEWXFKKSNHSFCD-STQMWFEESA-N 0 1 279.428 3.888 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](Cc2cnc(C(C)(C)C)nc2)C1 ZINC000582172304 1119030503 /nfs/dbraw/zinc/03/05/03/1119030503.db2.gz CDIAHFCJGDWBMS-HNNXBMFYSA-N 0 1 275.440 3.642 20 0 CHADMN C[C@@H](CC(=O)[O-])[N@@H+](C)Cc1ccc(Cl)c2ccccc12 ZINC000582192687 1119032283 /nfs/dbraw/zinc/03/22/83/1119032283.db2.gz QEVSGWIFYWWGIB-NSHDSACASA-N 0 1 291.778 3.788 20 0 CHADMN CCn1cc(CNCc2cccc(C3CCCC3)c2)cn1 ZINC000657365914 1119032296 /nfs/dbraw/zinc/03/22/96/1119032296.db2.gz GHHBBWFXKVNSGB-UHFFFAOYSA-N 0 1 283.419 3.850 20 0 CHADMN CCc1noc(CC)c1CN[C@@H]1CCc2ccc(F)cc21 ZINC000124818286 1119033681 /nfs/dbraw/zinc/03/36/81/1119033681.db2.gz QSYQMXNSJSXUEK-MRXNPFEDSA-N 0 1 288.366 3.716 20 0 CHADMN Cc1nnc([C@H](C)N2CCCC3(CCCC3)C2)s1 ZINC000336342798 1119036695 /nfs/dbraw/zinc/03/66/95/1119036695.db2.gz VJOUEGVFLZEWBH-NSHDSACASA-N 0 1 265.426 3.564 20 0 CHADMN CC(C)n1ccnc1CN[C@H]1C[C@@H]1C1CCCCC1 ZINC000657382649 1119044247 /nfs/dbraw/zinc/04/42/47/1119044247.db2.gz SORIHMCMRNUCFC-CABCVRRESA-N 0 1 261.413 3.522 20 0 CHADMN Clc1ccc(Cl)c(CN[C@H]2CCCOC2)c1Cl ZINC000109545437 1119046282 /nfs/dbraw/zinc/04/62/82/1119046282.db2.gz YBTTWMVMXXIYMY-QMMMGPOBSA-N 0 1 294.609 3.915 20 0 CHADMN CC[C@H](NCc1cccc(C)n1)c1ccccc1OC ZINC000051575215 1119047066 /nfs/dbraw/zinc/04/70/66/1119047066.db2.gz RKDLXQZGKRXTEV-INIZCTEOSA-N 0 1 270.376 3.640 20 0 CHADMN C=C(Cl)CN(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051582032 1119048586 /nfs/dbraw/zinc/04/85/86/1119048586.db2.gz RHJNEDMNEMZQIY-HZPDHXFCSA-N 0 1 279.811 3.839 20 0 CHADMN Cc1cc([C@H](C)NCc2c(C3CC3)cnn2C)ccc1F ZINC000657390788 1119050593 /nfs/dbraw/zinc/05/05/93/1119050593.db2.gz GXPLYTLDZZBCLD-LBPRGKRZSA-N 0 1 287.382 3.596 20 0 CHADMN Cc1cccc(CN(C)Cc2ccnc(Cl)c2)c1 ZINC000051606344 1119053897 /nfs/dbraw/zinc/05/38/97/1119053897.db2.gz YGBATWKUFRSKAX-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN C[C@H](N[C@H]1CCOC12CCCC2)c1nc2ccccc2o1 ZINC000934386879 1119056221 /nfs/dbraw/zinc/05/62/21/1119056221.db2.gz UBIYZBRIMPAHRJ-WFASDCNBSA-N 0 1 286.375 3.580 20 0 CHADMN CN(Cc1csc(C(F)(F)F)c1)C[C@H]1CCCCO1 ZINC000628153343 1128818717 /nfs/dbraw/zinc/81/87/17/1128818717.db2.gz LIYRLFKTBUMHER-LLVKDONJSA-N 0 1 293.354 3.768 20 0 CHADMN CCCCN(C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000057569666 1119057037 /nfs/dbraw/zinc/05/70/37/1119057037.db2.gz PXWFOHNCGDNIEQ-JTQLQIEISA-N 0 1 286.778 3.538 20 0 CHADMN CO[C@H](CNCc1ccc(C)o1)c1ccccc1Cl ZINC000124972450 1119057260 /nfs/dbraw/zinc/05/72/60/1119057260.db2.gz HWBZJIZVVNIRIV-OAHLLOKOSA-N 0 1 279.767 3.719 20 0 CHADMN C[C@@H]1CC[N@@H+](CCCCCC(=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000582365483 1119059166 /nfs/dbraw/zinc/05/91/66/1119059166.db2.gz WZAUHQZEDDVMPO-QLFBSQMISA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@H]1CC[N@@H+](CCCCCC(=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000582365484 1119059255 /nfs/dbraw/zinc/05/92/55/1119059255.db2.gz WZAUHQZEDDVMPO-RBSFLKMASA-N 0 1 267.413 3.532 20 0 CHADMN CCOc1cc(CN[C@H](C)c2cc(C)oc2C)ccc1O ZINC000044729289 1119060218 /nfs/dbraw/zinc/06/02/18/1119060218.db2.gz FOCZVCJDJMBZGZ-GFCCVEGCSA-N 0 1 289.375 3.852 20 0 CHADMN CCc1cccc2cc(CNCc3cncc(C)c3)oc21 ZINC000657418622 1119071891 /nfs/dbraw/zinc/07/18/91/1119071891.db2.gz QDGUPMFHXIPDSH-UHFFFAOYSA-N 0 1 280.371 3.988 20 0 CHADMN c1c(CNCc2cnc(C3CC3)nc2)sc2c1CCCC2 ZINC000582405944 1119073327 /nfs/dbraw/zinc/07/33/27/1119073327.db2.gz IQYOWPKBEWVCFH-UHFFFAOYSA-N 0 1 299.443 3.584 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCCOC(C)(C)C1 ZINC000370920214 1119077974 /nfs/dbraw/zinc/07/79/74/1119077974.db2.gz ZOBFYDDPTJFLIU-LLVKDONJSA-N 0 1 269.335 3.527 20 0 CHADMN CC1(C)CC[C@H]1NCc1c(F)cc(F)c(F)c1F ZINC000342577504 1119088650 /nfs/dbraw/zinc/08/86/50/1119088650.db2.gz NCXNLWHQXOOVIK-SNVBAGLBSA-N 0 1 261.262 3.521 20 0 CHADMN Fc1cc(CN2C[C@H]3CC[C@@H]2C3)cc(C(F)(F)F)c1 ZINC000092120256 1119088670 /nfs/dbraw/zinc/08/86/70/1119088670.db2.gz MRXFYEAYGFOQOL-TVQRCGJNSA-N 0 1 273.273 3.829 20 0 CHADMN CCc1nnc([C@H](C)N2CCC[C@H](C(C)(C)C)CC2)o1 ZINC000116308609 1119091346 /nfs/dbraw/zinc/09/13/46/1119091346.db2.gz WLIHZZQQSKFYPY-STQMWFEESA-N 0 1 279.428 3.841 20 0 CHADMN CC1(C)CN(Cc2cccc(O)c2)CC[C@H]1C(F)(F)F ZINC000191662783 1119099052 /nfs/dbraw/zinc/09/90/52/1119099052.db2.gz LVVKJLOMYGMCBM-CYBMUJFWSA-N 0 1 287.325 3.803 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)[N@@H+](C)CC[C@H]1CCCO1 ZINC000342612625 1119101199 /nfs/dbraw/zinc/10/11/99/1119101199.db2.gz YFPBAAFPPPDGJT-CZUORRHYSA-N 0 1 283.362 3.917 20 0 CHADMN CC/C=C\CCN[C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000342625978 1119104980 /nfs/dbraw/zinc/10/49/80/1119104980.db2.gz AEKUVNPPWQUNNA-QDZRJHCZSA-N 0 1 296.436 3.635 20 0 CHADMN COCc1csc(CN[C@H]2c3ccccc3O[C@H]2C)c1 ZINC000657468921 1119115687 /nfs/dbraw/zinc/11/56/87/1119115687.db2.gz PMFGEIFRNBYBBK-MEDUHNTESA-N 0 1 289.400 3.506 20 0 CHADMN COCOc1ccccc1Nc1cc(C)nc2ccccc21 ZINC001211549459 1119116128 /nfs/dbraw/zinc/11/61/28/1119116128.db2.gz JUBGTDHDHAKNIS-UHFFFAOYSA-N 0 1 294.354 3.691 20 0 CHADMN Cc1ccc(C2(NCc3cncs3)CCC2)cc1 ZINC000647255369 1119119018 /nfs/dbraw/zinc/11/90/18/1119119018.db2.gz XHMAUWQCIOQGOK-UHFFFAOYSA-N 0 1 258.390 3.621 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2nnc(C(C)(C)C)o2)[C@H]2CCCC[C@H]12 ZINC000051765836 1119120375 /nfs/dbraw/zinc/12/03/75/1119120375.db2.gz NRJHZYLTCHGRTA-MCIONIFRSA-N 0 1 291.439 3.768 20 0 CHADMN C[C@@H]1CCN(Cc2nnc(C(C)(C)C)o2)[C@H]2CCCC[C@H]12 ZINC000051765836 1119120376 /nfs/dbraw/zinc/12/03/76/1119120376.db2.gz NRJHZYLTCHGRTA-MCIONIFRSA-N 0 1 291.439 3.768 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c2ccccc2n1 ZINC000152754369 1119122402 /nfs/dbraw/zinc/12/24/02/1119122402.db2.gz JLCHBQBMBCVSFU-DNVCBOLYSA-N 0 1 296.414 3.544 20 0 CHADMN CCc1cccc2cc(CNCc3cnccc3C)oc21 ZINC000657481932 1119123132 /nfs/dbraw/zinc/12/31/32/1119123132.db2.gz LUNRXAJVFIKDPD-UHFFFAOYSA-N 0 1 280.371 3.988 20 0 CHADMN Cc1cnc(Nc2ccnc(C(C)(C)C)c2)nc1C ZINC001213161039 1119126609 /nfs/dbraw/zinc/12/66/09/1119126609.db2.gz ZBVRTDVSTPWZLR-UHFFFAOYSA-N 0 1 256.353 3.530 20 0 CHADMN CCCCN(Cc1nc(C2CC2)cs1)C1CC1 ZINC000342693072 1119128622 /nfs/dbraw/zinc/12/86/22/1119128622.db2.gz LORHSWNMLXJELH-UHFFFAOYSA-N 0 1 250.411 3.785 20 0 CHADMN Fc1c(CN[C@@H]2CCCC[C@H]2F)cccc1OC1CC1 ZINC000657492216 1119129369 /nfs/dbraw/zinc/12/93/69/1119129369.db2.gz ADSDDOJHAHOMSW-ZIAGYGMSSA-N 0 1 281.346 3.737 20 0 CHADMN Cc1ccc2cc(CN[C@H]3COCc4ccccc43)[nH]c2c1 ZINC000657494383 1119130958 /nfs/dbraw/zinc/13/09/58/1119130958.db2.gz NNBZXIJGFZYEDY-IBGZPJMESA-N 0 1 292.382 3.837 20 0 CHADMN CC[C@@H]1CCCCN1CC(=O)Nc1cccc(Cl)c1 ZINC000023991256 1119133991 /nfs/dbraw/zinc/13/39/91/1119133991.db2.gz JWDLACSYZNADJG-CQSZACIVSA-N 0 1 280.799 3.543 20 0 CHADMN CC(C)Oc1cc(F)ccc1Nc1cc(=O)[nH]c(Cl)n1 ZINC001212291971 1128823874 /nfs/dbraw/zinc/82/38/74/1128823874.db2.gz HXQWDBKAUKNYFD-UHFFFAOYSA-N 0 1 297.717 3.506 20 0 CHADMN CCOc1ccc(CN[C@@H]2CCCc3cccnc32)cc1 ZINC000684956270 1119141932 /nfs/dbraw/zinc/14/19/32/1119141932.db2.gz RHOPOPJDSLDEAC-QGZVFWFLSA-N 0 1 282.387 3.648 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@H]1CCCc3cccnc31)CC2 ZINC000684958567 1119142983 /nfs/dbraw/zinc/14/29/83/1119142983.db2.gz PDGMINHBFSCUDF-IRXDYDNUSA-N 0 1 282.362 3.875 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCC[C@H]1c1ccc(O)cc1 ZINC000684964627 1119144959 /nfs/dbraw/zinc/14/49/59/1119144959.db2.gz OBYKXGCCDIAEOW-SFHVURJKSA-N 0 1 299.418 3.815 20 0 CHADMN Cc1cc2cc(CN[C@@H](C)c3c(C)noc3C)ccc2[nH]1 ZINC000926418497 1119149894 /nfs/dbraw/zinc/14/98/94/1119149894.db2.gz SFZBZAZBKBXSIR-NSHDSACASA-N 0 1 283.375 3.932 20 0 CHADMN COc1ccnc([C@@H](C)NCc2ccc3[nH]c(C)cc3c2)c1 ZINC000926419274 1119152722 /nfs/dbraw/zinc/15/27/22/1119152722.db2.gz XCQVAGHVJVWSMF-CYBMUJFWSA-N 0 1 295.386 3.731 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nc2cc(Cl)ccc2n1C ZINC000097466580 1119166150 /nfs/dbraw/zinc/16/61/50/1119166150.db2.gz AMBAZNLCPVMGSH-CYBMUJFWSA-N 0 1 291.826 3.991 20 0 CHADMN Cc1cnc(CN(Cc2cccc(C)c2)CC(C)C)n1C ZINC000342791662 1119172005 /nfs/dbraw/zinc/17/20/05/1119172005.db2.gz OUOVOXJPTHWABW-UHFFFAOYSA-N 0 1 285.435 3.695 20 0 CHADMN Cc1cnc(CN2CC[C@@](C)(CCc3ccccc3)C2)n1C ZINC000342798063 1119174673 /nfs/dbraw/zinc/17/46/73/1119174673.db2.gz IQQOURQSMXAKNY-LJQANCHMSA-N 0 1 297.446 3.573 20 0 CHADMN CC(C)(C)c1ncc(CN2CC[C@@H]2Cc2ccccc2)cn1 ZINC000342797657 1119174741 /nfs/dbraw/zinc/17/47/41/1119174741.db2.gz HEQIQFVKTBJVIH-QGZVFWFLSA-N 0 1 295.430 3.591 20 0 CHADMN CCCCCN(Cc1csc(COC)n1)C(C)C ZINC000075623912 1119178087 /nfs/dbraw/zinc/17/80/87/1119178087.db2.gz WQJUPXJBWZDLEB-UHFFFAOYSA-N 0 1 270.442 3.690 20 0 CHADMN CCc1cnc(C[N@@H+](C)CC(C)(C)c2ccc(C)cc2)o1 ZINC000075861722 1119179491 /nfs/dbraw/zinc/17/94/91/1119179491.db2.gz SFWWJSIBJZIPJI-UHFFFAOYSA-N 0 1 286.419 3.955 20 0 CHADMN CCc1cnc(CN(C)CC(C)(C)c2ccc(C)cc2)o1 ZINC000075861722 1119179493 /nfs/dbraw/zinc/17/94/93/1119179493.db2.gz SFWWJSIBJZIPJI-UHFFFAOYSA-N 0 1 286.419 3.955 20 0 CHADMN CCc1cnc(CN2C[C@H](c3ccc(F)cc3)C[C@@H]2C)o1 ZINC000075750310 1119179987 /nfs/dbraw/zinc/17/99/87/1119179987.db2.gz PNCWBNUAGZYVBR-GXTWGEPZSA-N 0 1 288.366 3.754 20 0 CHADMN CN(Cc1nc2ccccc2n1C(F)F)CC(C)(C)C ZINC000075767253 1119181502 /nfs/dbraw/zinc/18/15/02/1119181502.db2.gz YKSOVWGTIMLTRE-UHFFFAOYSA-N 0 1 281.350 3.909 20 0 CHADMN CC[C@H](NCc1cc(C)nc(C)n1)c1ccc(C)cc1 ZINC000342808578 1119183786 /nfs/dbraw/zinc/18/37/86/1119183786.db2.gz DKOHDETVBHGERE-KRWDZBQOSA-N 0 1 269.392 3.643 20 0 CHADMN Cc1cc(CN[C@@H](CC(C)C)c2ccccc2)nc(C)n1 ZINC000342811966 1119187648 /nfs/dbraw/zinc/18/76/48/1119187648.db2.gz IQYGYWINJIHZMX-SFHVURJKSA-N 0 1 283.419 3.970 20 0 CHADMN CN(C)c1cccnc1Nc1ccnc(C(C)(C)C)c1 ZINC001213164136 1119196915 /nfs/dbraw/zinc/19/69/15/1119196915.db2.gz JHOJZVMODVEKDX-UHFFFAOYSA-N 0 1 270.380 3.584 20 0 CHADMN CCc1nc(S[C@@H]2CCCc3ccccc32)n[nH]1 ZINC000077901847 1119198094 /nfs/dbraw/zinc/19/80/94/1119198094.db2.gz NMIBSEYASSNRIS-GFCCVEGCSA-N 0 1 259.378 3.537 20 0 CHADMN CCc1n[nH]c(S[C@@H]2CCCc3ccccc32)n1 ZINC000077901847 1119198095 /nfs/dbraw/zinc/19/80/95/1119198095.db2.gz NMIBSEYASSNRIS-GFCCVEGCSA-N 0 1 259.378 3.537 20 0 CHADMN CC(C)n1cncc1CNCc1ccc2occc2c1 ZINC000657585477 1119198149 /nfs/dbraw/zinc/19/81/49/1119198149.db2.gz SNWJHVXEMSKVIL-UHFFFAOYSA-N 0 1 269.348 3.500 20 0 CHADMN CC[C@H](C)CCNCc1ncc(C(F)(F)F)s1 ZINC000657586148 1119198594 /nfs/dbraw/zinc/19/85/94/1119198594.db2.gz IIBYXMLISKZRCM-QMMMGPOBSA-N 0 1 266.332 3.688 20 0 CHADMN Cn1ncc(C2CCC2)c1CNCc1ccc2occc2c1 ZINC000657586171 1119198695 /nfs/dbraw/zinc/19/86/95/1119198695.db2.gz WSEGMOIWGORMJM-UHFFFAOYSA-N 0 1 295.386 3.724 20 0 CHADMN COc1cccc(OC)c1CNCc1cccc(C)c1C ZINC000657585630 1119200330 /nfs/dbraw/zinc/20/03/30/1119200330.db2.gz MOQOBZWGXZVBIE-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN COC[C@H](NCc1ccc(C)s1)c1cccc(OC)c1 ZINC000657612058 1119206527 /nfs/dbraw/zinc/20/65/27/1119206527.db2.gz RXDVEHYXZKSAOY-INIZCTEOSA-N 0 1 291.416 3.542 20 0 CHADMN COC[C@H](NCc1csc(C)c1)c1cccc(OC)c1 ZINC000657613077 1119206760 /nfs/dbraw/zinc/20/67/60/1119206760.db2.gz QQZOFAJKUXECLA-INIZCTEOSA-N 0 1 291.416 3.542 20 0 CHADMN COC[C@@H]1CCCN1Cc1cc(C)cc(C(F)(F)F)c1 ZINC001143447666 1119215114 /nfs/dbraw/zinc/21/51/14/1119215114.db2.gz GAANTJIKJIJDEY-AWEZNQCLSA-N 0 1 287.325 3.625 20 0 CHADMN CCc1ccc([C@H](C)NCc2sc(C)nc2C)o1 ZINC000119912671 1119225536 /nfs/dbraw/zinc/22/55/36/1119225536.db2.gz XDXMDDKKRYPUAC-VIFPVBQESA-N 0 1 264.394 3.766 20 0 CHADMN COCc1csc(CNCc2sccc2Cl)c1 ZINC000657659347 1119228235 /nfs/dbraw/zinc/22/82/35/1119228235.db2.gz FSDDFPIRLHVMBS-UHFFFAOYSA-N 0 1 287.837 3.899 20 0 CHADMN c1ccc2c(c1)Oc1ccccc1C2N[C@H]1CCSC1 ZINC000226619541 1119233058 /nfs/dbraw/zinc/23/30/58/1119233058.db2.gz WWHOIXVVFKLPBX-LBPRGKRZSA-N 0 1 283.396 3.977 20 0 CHADMN CC[C@@H](C)C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000120214700 1119233245 /nfs/dbraw/zinc/23/32/45/1119233245.db2.gz LMHJDBVOCUOFMT-KGLIPLIRSA-N 0 1 299.418 3.623 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1ncc(COC)s1 ZINC000342902333 1119238659 /nfs/dbraw/zinc/23/86/59/1119238659.db2.gz NKRZARKQYZGPRZ-ZDUSSCGKSA-N 0 1 282.453 3.834 20 0 CHADMN C[C@@H](O)c1ccnc(Nc2ccnc(C(C)(C)C)c2)c1 ZINC001213164528 1119239031 /nfs/dbraw/zinc/23/90/31/1119239031.db2.gz SXTHJSSPDCOTTD-LLVKDONJSA-N 0 1 271.364 3.571 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](c2ncccc2C)C(C)C)c(C)n1 ZINC000120521778 1119241704 /nfs/dbraw/zinc/24/17/04/1119241704.db2.gz JXXIBGFHZGEPLB-RHSMWYFYSA-N 0 1 298.434 3.845 20 0 CHADMN Cc1cn[nH]c1CNc1ccc2c(c1)C=CCCC2 ZINC000657682245 1119244309 /nfs/dbraw/zinc/24/43/09/1119244309.db2.gz XFAHFPQTRBMLCG-UHFFFAOYSA-N 0 1 253.349 3.680 20 0 CHADMN CC[C@@](C)([NH2+]Cc1cccc([O-])c1Cl)C1CC1 ZINC000657686469 1119245157 /nfs/dbraw/zinc/24/51/57/1119245157.db2.gz CMDUTWJISGEAAA-CQSZACIVSA-N 0 1 253.773 3.714 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2csc(C)n2)C1 ZINC000120800414 1119250338 /nfs/dbraw/zinc/25/03/38/1119250338.db2.gz QVFIZBONDIVRBR-CYBMUJFWSA-N 0 1 270.467 3.559 20 0 CHADMN c1coc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000120843248 1119250801 /nfs/dbraw/zinc/25/08/01/1119250801.db2.gz OUWKMYOIGUDJOB-YOEHRIQHSA-N 0 1 271.360 3.537 20 0 CHADMN Cc1cccc(CN[C@@H]2CCc3ccc(O)cc32)c1F ZINC000657694961 1119253463 /nfs/dbraw/zinc/25/34/63/1119253463.db2.gz XRZMVTXGDXENAO-MRXNPFEDSA-N 0 1 271.335 3.617 20 0 CHADMN CC[C@H](N[C@H](C)c1cnc(C)s1)c1c(C)noc1C ZINC000090887643 1119254021 /nfs/dbraw/zinc/25/40/21/1119254021.db2.gz SSCNUHBZDADIBJ-PELKAZGASA-N 0 1 279.409 3.858 20 0 CHADMN COc1ccc(CNC(C)(C)CF)cc1OCC(C)C ZINC000349803211 1119256764 /nfs/dbraw/zinc/25/67/64/1119256764.db2.gz QIVKWKLUWIKDNG-UHFFFAOYSA-N 0 1 283.387 3.568 20 0 CHADMN CCC[C@@H](C)N(C)CC(=O)Nc1ccc(F)cc1Cl ZINC000078868174 1119256937 /nfs/dbraw/zinc/25/69/37/1119256937.db2.gz PKGZNFUGVMHQBH-SNVBAGLBSA-N 0 1 286.778 3.538 20 0 CHADMN Cc1cccc2c1CN(Cc1scnc1C1CC1)CC2 ZINC000425958916 1119261165 /nfs/dbraw/zinc/26/11/65/1119261165.db2.gz IFBOXMQWPZBTFN-UHFFFAOYSA-N 0 1 284.428 3.887 20 0 CHADMN Fc1cnc(Cl)cc1CN1CCC[C@H]2CCC[C@H]21 ZINC001140610406 1119267540 /nfs/dbraw/zinc/26/75/40/1119267540.db2.gz FNMUSVZRMWILAM-ZWNOBZJWSA-N 0 1 268.763 3.639 20 0 CHADMN C[C@H]1C[C@@H](c2cccnc2)N(Cc2scnc2C2CC2)C1 ZINC000426155422 1119269992 /nfs/dbraw/zinc/26/99/92/1119269992.db2.gz XLCGPGVNLKXCBK-WFASDCNBSA-N 0 1 299.443 3.999 20 0 CHADMN CCc1cc(=O)[nH]c(CN(C)[C@@H](c2ccccc2)C(C)C)n1 ZINC000468279519 1119278236 /nfs/dbraw/zinc/27/82/36/1119278236.db2.gz PPCFWUJQGDLKMA-GOSISDBHSA-N 0 1 299.418 3.574 20 0 CHADMN COc1ccccc1[C@@H](NCC(C)C)c1ccco1 ZINC000122495646 1119281487 /nfs/dbraw/zinc/28/14/87/1119281487.db2.gz NMJJLRHBGRBUIF-MRXNPFEDSA-N 0 1 259.349 3.623 20 0 CHADMN CN(Cc1csc(-c2ccco2)n1)CC(C)(C)C ZINC000588939453 1119281631 /nfs/dbraw/zinc/28/16/31/1119281631.db2.gz UCXXJAYJCJTECN-UHFFFAOYSA-N 0 1 264.394 3.881 20 0 CHADMN CC(=O)CCN1CCc2sccc2[C@H]1c1cccs1 ZINC000153791585 1119287389 /nfs/dbraw/zinc/28/73/89/1119287389.db2.gz WSTXYWLJXBMYOF-HNNXBMFYSA-N 0 1 291.441 3.736 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3ccc(F)cc3Cl)C[C@@H]21 ZINC000525636306 1119287865 /nfs/dbraw/zinc/28/78/65/1119287865.db2.gz PKBRMNZDJADXRE-TXEJJXNPSA-N 0 1 253.748 3.567 20 0 CHADMN C[C@@H](c1nc(-c2ccccc2)no1)N1CCC2(CCC2)C1 ZINC000123011501 1119290409 /nfs/dbraw/zinc/29/04/09/1119290409.db2.gz CIMUCHYKGMZHLV-ZDUSSCGKSA-N 0 1 283.375 3.674 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@H]3CC4CCC3CC4)cc2[nH]1 ZINC000343068272 1119296707 /nfs/dbraw/zinc/29/67/07/1119296707.db2.gz WFZSOMJOEPOXOE-YIZWMMSDSA-N 0 1 283.375 3.636 20 0 CHADMN C[C@H](NCC(C)(C)CO)c1cc(Cl)sc1Cl ZINC000131073421 1119309165 /nfs/dbraw/zinc/30/91/65/1119309165.db2.gz PBIYJCMQTFIYHR-ZETCQYMHSA-N 0 1 282.236 3.724 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@@H]2NCc1cccc(O)c1 ZINC000154406426 1119311258 /nfs/dbraw/zinc/31/12/58/1119311258.db2.gz XCKOCLYOIQOLCT-KRWDZBQOSA-N 0 1 283.371 3.704 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cccnc1OC(C)C)CC2 ZINC000318934335 1119312202 /nfs/dbraw/zinc/31/22/02/1119312202.db2.gz PLOUCHUVCBPJKE-GOSISDBHSA-N 0 1 296.414 3.954 20 0 CHADMN CC[C@H](N[C@@H](C)c1noc(-c2ccccc2)n1)C1CC1 ZINC000124484760 1119314958 /nfs/dbraw/zinc/31/49/58/1119314958.db2.gz YCAMRYKTPVTXJV-FZMZJTMJSA-N 0 1 271.364 3.576 20 0 CHADMN CN(C)c1ncccc1CN[C@@H]1CC(C)(C)Cc2occc21 ZINC000154749291 1119319028 /nfs/dbraw/zinc/31/90/28/1119319028.db2.gz JJWATSFDLAAKKJ-OAHLLOKOSA-N 0 1 299.418 3.544 20 0 CHADMN Cn1nccc1[C@H]1CCCCN1Cc1ccc2[nH]ccc2c1 ZINC000628259703 1128838055 /nfs/dbraw/zinc/83/80/55/1128838055.db2.gz FEORCFNFUSBTOV-GOSISDBHSA-N 0 1 294.402 3.629 20 0 CHADMN C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(Cl)cn1 ZINC000583254648 1119327407 /nfs/dbraw/zinc/32/74/07/1119327407.db2.gz YFJROVDLTRFOIY-SNVBAGLBSA-N 0 1 266.797 3.990 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1ccc(Cl)cn1 ZINC000583254648 1119327408 /nfs/dbraw/zinc/32/74/08/1119327408.db2.gz YFJROVDLTRFOIY-SNVBAGLBSA-N 0 1 266.797 3.990 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2c(C)noc2C)cc1F ZINC000092326367 1119327465 /nfs/dbraw/zinc/32/74/65/1119327465.db2.gz XXWWAPHIJKGLPN-VHSXEESVSA-N 0 1 292.354 3.851 20 0 CHADMN CCCN(CCC)C(=O)c1c[nH]c2c(C)cccc2c1=O ZINC000155250236 1119329913 /nfs/dbraw/zinc/32/99/13/1119329913.db2.gz PSZCZAMQHKATEB-UHFFFAOYSA-N 0 1 286.375 3.511 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000386670971 1119339131 /nfs/dbraw/zinc/33/91/31/1119339131.db2.gz OBEOVWILXAVHLM-ZJUUUORDSA-N 0 1 287.354 3.669 20 0 CHADMN COc1ccncc1CN[C@H](C)c1c(C)oc2ccccc21 ZINC000926479550 1119339911 /nfs/dbraw/zinc/33/99/11/1119339911.db2.gz DZCZRYJTTYVWBF-GFCCVEGCSA-N 0 1 296.370 3.996 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)CC(F)(F)F)c(C)s1 ZINC000231791817 1119342733 /nfs/dbraw/zinc/34/27/33/1119342733.db2.gz FQRKAVZRHSDDEO-RQJHMYQMSA-N 0 1 266.332 3.751 20 0 CHADMN C[C@@H]1CCCC[C@@H]1NCC(F)(F)c1ccccc1 ZINC000227898551 1119350635 /nfs/dbraw/zinc/35/06/35/1119350635.db2.gz ZJEAPVKPVZNEDG-OCCSQVGLSA-N 0 1 253.336 3.947 20 0 CHADMN CC(C)CN(C)Cc1nc(-c2ccccc2)cs1 ZINC000349879036 1119355121 /nfs/dbraw/zinc/35/51/21/1119355121.db2.gz WNOZAXIZZVOTJO-UHFFFAOYSA-N 0 1 260.406 3.898 20 0 CHADMN Cc1ccc(OC2CCN(Cc3ccoc3)CC2)cc1 ZINC000091673497 1119355152 /nfs/dbraw/zinc/35/51/52/1119355152.db2.gz DPGSMBKKCSPKBJ-UHFFFAOYSA-N 0 1 271.360 3.631 20 0 CHADMN Cc1c[nH]c(CN2C[C@H](C)CC[C@@H]2c2ccccc2)n1 ZINC000628273452 1128840470 /nfs/dbraw/zinc/84/04/70/1128840470.db2.gz VIZFWJILBXYDJM-CZUORRHYSA-N 0 1 269.392 3.691 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1cc3n(n1)CCCC3)CC2 ZINC000647292952 1119359924 /nfs/dbraw/zinc/35/99/24/1119359924.db2.gz MXVNCULXBMPHRF-KSSFIOAISA-N 0 1 295.430 3.866 20 0 CHADMN CCOc1ccc(CNCc2ccc(C)cc2OC)cc1 ZINC000151014481 1119366798 /nfs/dbraw/zinc/36/67/98/1119366798.db2.gz QCLOCFHHXKBVGV-UHFFFAOYSA-N 0 1 285.387 3.692 20 0 CHADMN CC(C)c1ccc(N(C)Cc2n[nH]c(C(C)(C)C)n2)cc1 ZINC001167669127 1119369711 /nfs/dbraw/zinc/36/97/11/1119369711.db2.gz VXDRJGGNGAYCLI-UHFFFAOYSA-N 0 1 286.423 3.862 20 0 CHADMN CC(C)=CCN[C@H](CO)c1cccc(Cl)c1Cl ZINC000657771356 1119377868 /nfs/dbraw/zinc/37/78/68/1119377868.db2.gz BLZAQSUZRCDMGE-GFCCVEGCSA-N 0 1 274.191 3.583 20 0 CHADMN CC(C)=CCN[C@@H](CO)c1cccc(Cl)c1Cl ZINC000657771358 1119378133 /nfs/dbraw/zinc/37/81/33/1119378133.db2.gz BLZAQSUZRCDMGE-LBPRGKRZSA-N 0 1 274.191 3.583 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@H](C)c3ccccc3F)cc2[nH]1 ZINC000343299376 1119378821 /nfs/dbraw/zinc/37/88/21/1119378821.db2.gz GRNQKQLLBTVEGO-SNVBAGLBSA-N 0 1 297.333 3.753 20 0 CHADMN Cc1nc(CN(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)[nH]c1C ZINC000628283089 1128841822 /nfs/dbraw/zinc/84/18/22/1128841822.db2.gz FJZVJTRTVMLJNC-TXEJJXNPSA-N 0 1 289.345 3.579 20 0 CHADMN CC(C)(C)[C@H](O)CN1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000561784288 1119379086 /nfs/dbraw/zinc/37/90/86/1119379086.db2.gz JZJWZRICRNWSMC-GDBMZVCRSA-N 0 1 299.817 3.618 20 0 CHADMN CO[C@H](CNCc1csc(C2CC2)n1)C1CCCCC1 ZINC000657783488 1119396142 /nfs/dbraw/zinc/39/61/42/1119396142.db2.gz ZHAGUGJUMVTKJD-OAHLLOKOSA-N 0 1 294.464 3.705 20 0 CHADMN COc1cccc(CNCc2cccc(F)c2F)c1C ZINC000657803879 1119429893 /nfs/dbraw/zinc/42/98/93/1119429893.db2.gz AUHNLHNLBIMCOS-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN COc1c(C)cc([C@@H](C)N[C@H](C)c2cn[nH]c2)cc1Cl ZINC000796848608 1119438502 /nfs/dbraw/zinc/43/85/02/1119438502.db2.gz YMQSPXRVHIYXKQ-GHMZBOCLSA-N 0 1 293.798 3.792 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CC=C(C(C)(C)C)CC1 ZINC000343529622 1119443322 /nfs/dbraw/zinc/44/33/22/1119443322.db2.gz DICUAWZSEJISBX-UHFFFAOYSA-N 0 1 275.440 3.951 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c(C)c3)[nH]n2)o1 ZINC000343531721 1119444062 /nfs/dbraw/zinc/44/40/62/1119444062.db2.gz BNTQFFAGSYNRNX-UHFFFAOYSA-N 0 1 299.305 3.678 20 0 CHADMN C[C@@H](N(C)Cc1nc(C2CC2)cs1)C1(C)CC1 ZINC000343533620 1119445846 /nfs/dbraw/zinc/44/58/46/1119445846.db2.gz GYYMLLUACPYLIW-SNVBAGLBSA-N 0 1 250.411 3.641 20 0 CHADMN CC(C)CCOC1CCN(Cc2cnc(C3CC3)o2)CC1 ZINC000628147590 1119447682 /nfs/dbraw/zinc/44/76/82/1119447682.db2.gz SKCQFRAPBKZWHW-UHFFFAOYSA-N 0 1 292.423 3.579 20 0 CHADMN CC(C)(C)OC1CCN(CCc2cccc(F)c2F)CC1 ZINC000343550907 1119450455 /nfs/dbraw/zinc/45/04/55/1119450455.db2.gz MBOVZIDDKUQHDM-UHFFFAOYSA-N 0 1 297.389 3.787 20 0 CHADMN C[C@@H](N[C@@H]1CCCn2nccc21)c1ccccc1Cl ZINC000657816285 1119453451 /nfs/dbraw/zinc/45/34/51/1119453451.db2.gz LXWSHINPFJFYCI-BXUZGUMPSA-N 0 1 275.783 3.722 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161985267 1119458540 /nfs/dbraw/zinc/45/85/40/1119458540.db2.gz BCAZAHMBOFCGII-KBPBESRZSA-N 0 1 293.455 3.762 20 0 CHADMN Fc1cccc2c1SCC[C@@H]2NCc1cncs1 ZINC000133043929 1119462236 /nfs/dbraw/zinc/46/22/36/1119462236.db2.gz GPJZZADNQCXOIX-LBPRGKRZSA-N 0 1 280.393 3.609 20 0 CHADMN C[C@@H](O)[C@H](NCc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000657820521 1119462541 /nfs/dbraw/zinc/46/25/41/1119462541.db2.gz WXNJTOOENIWRDC-BZNIZROVSA-N 0 1 293.769 3.691 20 0 CHADMN CC(C)C[C@H](O)CNCc1csc(Cl)c1Cl ZINC000309541079 1119464638 /nfs/dbraw/zinc/46/46/38/1119464638.db2.gz DTSIETXXQBWLIF-VIFPVBQESA-N 0 1 282.236 3.552 20 0 CHADMN C[C@H]1c2ccccc2CN1CCCC(=O)OC(C)(C)C ZINC000343605838 1119469497 /nfs/dbraw/zinc/46/94/97/1119469497.db2.gz JCXMMHBRZOIDAH-ZDUSSCGKSA-N 0 1 275.392 3.685 20 0 CHADMN CSCCC[N@@H+](C)Cc1cc(Br)cs1 ZINC000157685497 1119469640 /nfs/dbraw/zinc/46/96/40/1119469640.db2.gz NBUIUDCWYWQRKW-UHFFFAOYSA-N 0 1 294.283 3.696 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccc(C(F)F)nc2)c1 ZINC000657824392 1119471094 /nfs/dbraw/zinc/47/10/94/1119471094.db2.gz HPPVLHSIWUGKRB-NSHDSACASA-N 0 1 292.329 3.879 20 0 CHADMN Cc1nc2c(n1Cc1cccc(OC(C)C)c1)CCCC2 ZINC000584091634 1119475369 /nfs/dbraw/zinc/47/53/69/1119475369.db2.gz ATAGKHJJJLKYMX-UHFFFAOYSA-N 0 1 284.403 3.906 20 0 CHADMN c1cc2n(n1)CCC[C@@H]2N[C@@H]1CCSc2ccccc21 ZINC000657835211 1119486132 /nfs/dbraw/zinc/48/61/32/1119486132.db2.gz DJTZWCLTWZKGRO-KGLIPLIRSA-N 0 1 285.416 3.545 20 0 CHADMN Cl/C=C\CN(CCc1ccccc1)Cc1cccnc1 ZINC000588591544 1119493716 /nfs/dbraw/zinc/49/37/16/1119493716.db2.gz AKDPRYGSDUIOCL-YHYXMXQVSA-N 0 1 286.806 3.879 20 0 CHADMN Cc1oc(-c2ccccc2)nc1CN(C)CCC1CC1 ZINC000135248019 1119497143 /nfs/dbraw/zinc/49/71/43/1119497143.db2.gz PXDQEASMBAHGMP-UHFFFAOYSA-N 0 1 270.376 3.882 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@@H](C)c2nccnc2C)cc1 ZINC000219088380 1119499952 /nfs/dbraw/zinc/49/99/52/1119499952.db2.gz ZRLYYNCDPZUVQA-OCCSQVGLSA-N 0 1 285.391 3.596 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)N[C@@H]1CCCn2nccc21 ZINC000657839347 1119502398 /nfs/dbraw/zinc/50/23/98/1119502398.db2.gz SLCKSTKBQDYXGW-GOEBONIOSA-N 0 1 299.418 3.856 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000081180373 1119510634 /nfs/dbraw/zinc/51/06/34/1119510634.db2.gz JEHDMADMUIVPOS-LRDDRELGSA-N 0 1 285.391 3.604 20 0 CHADMN CCOC(=O)CCCCN1CC[C@H]1c1ccc(Cl)cc1 ZINC000081605399 1119519123 /nfs/dbraw/zinc/51/91/23/1119519123.db2.gz QDWZNPXNLYPALI-HNNXBMFYSA-N 0 1 295.810 3.820 20 0 CHADMN C[C@@H]1CCC[C@H](NCc2noc(-c3ccsc3)n2)[C@H]1C ZINC000248547679 1128851751 /nfs/dbraw/zinc/85/17/51/1128851751.db2.gz GHPGKDQRMILUSM-MDZLAQPJSA-N 0 1 291.420 3.712 20 0 CHADMN Fc1ccc(CN2CCC(Oc3ccccc3)CC2)cc1 ZINC000064794291 1119526436 /nfs/dbraw/zinc/52/64/36/1119526436.db2.gz YMTXKHUXLSIYHW-UHFFFAOYSA-N 0 1 285.362 3.869 20 0 CHADMN CN[C@H](c1nnc(-c2ccc(C)c(C)c2)o1)C(C)(C)C ZINC001217737196 1119526784 /nfs/dbraw/zinc/52/67/84/1119526784.db2.gz URVRGXVWFANMGE-CYBMUJFWSA-N 0 1 273.380 3.660 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CCc2nccnc2C1 ZINC000668734752 1119527133 /nfs/dbraw/zinc/52/71/33/1119527133.db2.gz SHDFXHSPJDOXRJ-HNNXBMFYSA-N 0 1 273.424 3.607 20 0 CHADMN Clc1cccnc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000088698792 1119537012 /nfs/dbraw/zinc/53/70/12/1119537012.db2.gz CQWGXWUDEOQXQR-ZDUSSCGKSA-N 0 1 291.782 3.577 20 0 CHADMN CC[N@@H+](Cc1nnc(-c2ccccc2)n1C)C1CCCCC1 ZINC000128071974 1119538158 /nfs/dbraw/zinc/53/81/58/1119538158.db2.gz BKYIHSMCZWLMGE-UHFFFAOYSA-N 0 1 298.434 3.637 20 0 CHADMN CCN(Cc1nnc(-c2ccccc2)n1C)C1CCCCC1 ZINC000128071974 1119538161 /nfs/dbraw/zinc/53/81/61/1119538161.db2.gz BKYIHSMCZWLMGE-UHFFFAOYSA-N 0 1 298.434 3.637 20 0 CHADMN COc1cncc(CN([C@@H](C)c2ccccc2)C2CC2)c1 ZINC000343792909 1119538898 /nfs/dbraw/zinc/53/88/98/1119538898.db2.gz KINQZGCUBNNGPE-AWEZNQCLSA-N 0 1 282.387 3.816 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccsc1)CO2 ZINC000090452928 1119544753 /nfs/dbraw/zinc/54/47/53/1119544753.db2.gz NUKKRZNAASWDTQ-RISCZKNCSA-N 0 1 259.374 3.841 20 0 CHADMN COc1cccc([C@@H](C)N[C@H]2COc3ccc(C)cc32)c1 ZINC000090452424 1119544490 /nfs/dbraw/zinc/54/44/90/1119544490.db2.gz CLYSQTZKZHIUCY-DYVFJYSZSA-N 0 1 283.371 3.788 20 0 CHADMN COc1ccc([C@@H](C)N[C@H]2COc3ccc(C)cc32)cc1 ZINC000090452872 1119544638 /nfs/dbraw/zinc/54/46/38/1119544638.db2.gz NANFDCGUFLGIGF-DYVFJYSZSA-N 0 1 283.371 3.788 20 0 CHADMN CC(C)c1noc(CN2CC[C@@H](Cc3ccccc3)[C@H]2C)n1 ZINC000472322690 1119545834 /nfs/dbraw/zinc/54/58/34/1119545834.db2.gz ROSYHJYJMPJLDK-ZBFHGGJFSA-N 0 1 299.418 3.646 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)c1nccs1 ZINC000090105404 1119545985 /nfs/dbraw/zinc/54/59/85/1119545985.db2.gz ADHFIEFTKJRDKJ-CYZMBNFOSA-N 0 1 250.411 3.763 20 0 CHADMN C[C@@H]1CCC[C@H](C)[C@H]1NCc1noc(-c2ccccc2)n1 ZINC000584436979 1119546135 /nfs/dbraw/zinc/54/61/35/1119546135.db2.gz LACTXKXVMIEKDU-VIKVFOODSA-N 0 1 285.391 3.651 20 0 CHADMN CCc1ccc([C@H](CO)N[C@@H](C)c2ccsc2)cc1 ZINC000090844633 1119550677 /nfs/dbraw/zinc/55/06/77/1119550677.db2.gz UHYYDGSYOZRMKT-LRDDRELGSA-N 0 1 275.417 3.695 20 0 CHADMN COc1ccccc1[C@H]1CCCN1Cc1cnc(C)s1 ZINC000170785619 1119552085 /nfs/dbraw/zinc/55/20/85/1119552085.db2.gz BHXWJKXBYDTXKZ-OAHLLOKOSA-N 0 1 288.416 3.797 20 0 CHADMN CCc1noc(CC)c1CN[C@H](c1cccnc1)C(C)C ZINC000091369374 1119555686 /nfs/dbraw/zinc/55/56/86/1119555686.db2.gz ASEHOLAIBWVIRI-KRWDZBQOSA-N 0 1 287.407 3.681 20 0 CHADMN CCn1c2ccccc2nc1CN(C)[C@@H](C)C1(C)CC1 ZINC000091901005 1119560430 /nfs/dbraw/zinc/56/04/30/1119560430.db2.gz SAFYLTLTUJBQBP-ZDUSSCGKSA-N 0 1 271.408 3.677 20 0 CHADMN Fc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)cc1Cl ZINC000092072026 1119561383 /nfs/dbraw/zinc/56/13/83/1119561383.db2.gz VLFISQRRRWTOHY-LBPRGKRZSA-N 0 1 293.773 3.582 20 0 CHADMN CN(CCC(F)(F)F)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000092478673 1119562732 /nfs/dbraw/zinc/56/27/32/1119562732.db2.gz LHCYIVHNZQADQG-UHFFFAOYSA-N 0 1 287.325 3.784 20 0 CHADMN CN(CCc1ccccn1)Cc1cccc(F)c1Cl ZINC000093217194 1119571026 /nfs/dbraw/zinc/57/10/26/1119571026.db2.gz VXPDVXUVOIRQSM-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN CCOc1ccccc1CNCc1cc(F)cc(OC)c1 ZINC000093970882 1119573846 /nfs/dbraw/zinc/57/38/46/1119573846.db2.gz RTYXLDSTPACEFN-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN CC(C)C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000118405514 1119575102 /nfs/dbraw/zinc/57/51/02/1119575102.db2.gz QUUMOVAIFZRFQY-UHFFFAOYSA-N 0 1 279.343 3.824 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC000140476414 1119579401 /nfs/dbraw/zinc/57/94/01/1119579401.db2.gz GEVJJSFPXFRPBX-CYBMUJFWSA-N 0 1 260.337 3.555 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2ccc(C(F)F)nc2)s1 ZINC000657873271 1119587263 /nfs/dbraw/zinc/58/72/63/1119587263.db2.gz WPFPUNXAMHAYAB-QMMMGPOBSA-N 0 1 283.347 3.635 20 0 CHADMN Cc1c2ccccc2oc1CN[C@H]1CCCn2nccc21 ZINC000657884598 1119594398 /nfs/dbraw/zinc/59/43/98/1119594398.db2.gz WMKUFZHABDOZOA-AWEZNQCLSA-N 0 1 281.359 3.562 20 0 CHADMN C[N@@H+](CCOc1ccc2[nH]ccc2c1)Cc1ccc(F)cc1 ZINC000468390519 1119597443 /nfs/dbraw/zinc/59/74/43/1119597443.db2.gz WYLASGNYBWGPLG-UHFFFAOYSA-N 0 1 298.361 3.818 20 0 CHADMN [O-]c1cccnc1C[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000685410574 1119603488 /nfs/dbraw/zinc/60/34/88/1119603488.db2.gz APBZJOFEEYUXNV-UHFFFAOYSA-N 0 1 296.414 3.775 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000302809498 1119603816 /nfs/dbraw/zinc/60/38/16/1119603816.db2.gz LBNUGEOVZUZECZ-ZDUSSCGKSA-N 0 1 255.336 3.945 20 0 CHADMN c1cnn(-c2ccncc2NCc2ccccc2C2CC2)c1 ZINC000685425974 1119605998 /nfs/dbraw/zinc/60/59/98/1119605998.db2.gz MFOYYBJGDFSBRG-UHFFFAOYSA-N 0 1 290.370 3.757 20 0 CHADMN COCCN(CCCC1CCCCC1)Cc1cncs1 ZINC000685430364 1119606232 /nfs/dbraw/zinc/60/62/32/1119606232.db2.gz DSZBPQDXFOORMZ-UHFFFAOYSA-N 0 1 296.480 3.952 20 0 CHADMN Cc1noc([C@@H]2CCCCN2[C@@H](C)Cc2ccsc2)n1 ZINC000685448043 1119610138 /nfs/dbraw/zinc/61/01/38/1119610138.db2.gz HTQQXFYWLYEXGS-FZMZJTMJSA-N 0 1 291.420 3.598 20 0 CHADMN Clc1ccc(C2(NCc3cncs3)CC2)cc1 ZINC000136117504 1119610735 /nfs/dbraw/zinc/61/07/35/1119610735.db2.gz CCXCJYCDPDJVEK-UHFFFAOYSA-N 0 1 264.781 3.575 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)o1 ZINC000685465054 1119611594 /nfs/dbraw/zinc/61/15/94/1119611594.db2.gz SXDOIEVXKPBIDA-QWHCGFSZSA-N 0 1 283.799 3.572 20 0 CHADMN C[C@H](CN[C@@H]1CCCC1(F)F)Cc1ccccc1 ZINC000685473119 1119613188 /nfs/dbraw/zinc/61/31/88/1119613188.db2.gz ORCAJXBVWVTWMT-GXTWGEPZSA-N 0 1 253.336 3.643 20 0 CHADMN COC[C@H](NCc1ccc(O)cc1)c1cccc(Cl)c1 ZINC000685477383 1119614095 /nfs/dbraw/zinc/61/40/95/1119614095.db2.gz LHTCBKAMMFDZTB-INIZCTEOSA-N 0 1 291.778 3.523 20 0 CHADMN COc1ccsc1CNCc1ccc2ccccc2n1 ZINC000343804704 1119614806 /nfs/dbraw/zinc/61/48/06/1119614806.db2.gz GSHYAPRWYZSZQT-UHFFFAOYSA-N 0 1 284.384 3.595 20 0 CHADMN COc1c(C)cc([C@H](C)NCc2cccnc2)cc1Cl ZINC000796664049 1119618221 /nfs/dbraw/zinc/61/82/21/1119618221.db2.gz RFPNQVXRURHBLV-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@@H]1C[C@@H](N[C@@H](c2ccccc2)C2CC2)c2nccn21 ZINC000294261911 1119625015 /nfs/dbraw/zinc/62/50/15/1119625015.db2.gz XJPFLXQMGDQDCH-WQVCFCJDSA-N 0 1 267.376 3.630 20 0 CHADMN C[C@@H]1C[C@H](N[C@H](c2ccccc2)C2CC2)c2nccn21 ZINC000294261906 1119625450 /nfs/dbraw/zinc/62/54/50/1119625450.db2.gz XJPFLXQMGDQDCH-UHOFOFEASA-N 0 1 267.376 3.630 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@@H]1CCc2cc(F)ccc21 ZINC000131225832 1119629272 /nfs/dbraw/zinc/62/92/72/1119629272.db2.gz MMOPMLHDUXFANP-RFAUZJTJSA-N 0 1 274.339 3.769 20 0 CHADMN Cc1nc(C)c(CN(C2CC2)[C@H]2CCc3ccccc32)o1 ZINC000685567297 1119631995 /nfs/dbraw/zinc/63/19/95/1119631995.db2.gz UADCFFKRAKTWSO-KRWDZBQOSA-N 0 1 282.387 3.943 20 0 CHADMN Cc1ncccc1CN1CC(c2nc3ccccc3s2)C1 ZINC000685570030 1119632003 /nfs/dbraw/zinc/63/20/03/1119632003.db2.gz AWOBQBAQWWSPPW-UHFFFAOYSA-N 0 1 295.411 3.599 20 0 CHADMN Cc1nocc1CN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000294307605 1119632779 /nfs/dbraw/zinc/63/27/79/1119632779.db2.gz XGAYXZSVCJAZSY-SECBINFHSA-N 0 1 284.281 3.853 20 0 CHADMN Cc1cc(F)ccc1CN1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000685587454 1119635018 /nfs/dbraw/zinc/63/50/18/1119635018.db2.gz BOOXNXXLLZBVAJ-JKSUJKDBSA-N 0 1 277.383 3.524 20 0 CHADMN CC(C)(C)c1cc(CN2CCC[C@@H](C3CC3)C2)no1 ZINC000685585947 1119635839 /nfs/dbraw/zinc/63/58/39/1119635839.db2.gz LJUSHOLXRMLBGN-CYBMUJFWSA-N 0 1 262.397 3.594 20 0 CHADMN CC[C@@H]1CCC[C@@H](N[C@H](C)c2csnn2)CC1 ZINC000398222673 1119637068 /nfs/dbraw/zinc/63/70/68/1119637068.db2.gz DQMXPUVOOCJXJV-IJLUTSLNSA-N 0 1 253.415 3.548 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000685612221 1119637865 /nfs/dbraw/zinc/63/78/65/1119637865.db2.gz VXZXFHNQBCRXJX-SFHVURJKSA-N 0 1 291.398 3.792 20 0 CHADMN CC1=C[C@@H](C)C[C@H](CNc2cnn(-c3ccncc3)c2)C1 ZINC000685614778 1119638318 /nfs/dbraw/zinc/63/83/18/1119638318.db2.gz BCBZOXYOYWMPOZ-HIFRSBDPSA-N 0 1 282.391 3.672 20 0 CHADMN COC[C@H](N[C@H](C)c1cc2cnccc2o1)c1ccccc1 ZINC000657916587 1119638795 /nfs/dbraw/zinc/63/87/95/1119638795.db2.gz HOHYSAPTFXMVKP-CJNGLKHVSA-N 0 1 296.370 3.866 20 0 CHADMN Cc1cn[nH]c1CNc1cccc(COC(C)(C)C)c1C ZINC000685617709 1119639256 /nfs/dbraw/zinc/63/92/56/1119639256.db2.gz LRSOCXCYYLBATP-UHFFFAOYSA-N 0 1 287.407 3.954 20 0 CHADMN C[C@@H](NCc1ccccc1N(C)C)c1cc2cnccc2o1 ZINC000657920126 1119641641 /nfs/dbraw/zinc/64/16/41/1119641641.db2.gz WVJRFCLMTDJGPI-CYBMUJFWSA-N 0 1 295.386 3.745 20 0 CHADMN COc1ccccc1C(C)(C)CN[C@@H](C)c1cc(C)on1 ZINC000685646335 1119643990 /nfs/dbraw/zinc/64/39/90/1119643990.db2.gz QCUFXDABAWCQTM-ZDUSSCGKSA-N 0 1 288.391 3.620 20 0 CHADMN CC[C@H](NCc1cc(OC)ns1)c1ccc(C)cc1 ZINC000399168445 1119644355 /nfs/dbraw/zinc/64/43/55/1119644355.db2.gz NKKOVDOZQBVDMT-AWEZNQCLSA-N 0 1 276.405 3.701 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cnccc2C)cc1O ZINC000685649722 1119644485 /nfs/dbraw/zinc/64/44/85/1119644485.db2.gz UALFIIKWFIIIKS-STQMWFEESA-N 0 1 286.375 3.516 20 0 CHADMN Fc1ccc(C2(N[C@H]3CCCn4nccc43)CCC2)cc1 ZINC000657943047 1119649222 /nfs/dbraw/zinc/64/92/22/1119649222.db2.gz NHUCMUPACPNBLZ-HNNXBMFYSA-N 0 1 285.366 3.526 20 0 CHADMN Cc1cc(F)ncc1CN[C@@H]1CCSc2ccccc21 ZINC000892415253 1119655389 /nfs/dbraw/zinc/65/53/89/1119655389.db2.gz FKSBPNICZMIEIN-CQSZACIVSA-N 0 1 288.391 3.856 20 0 CHADMN CC(=O)Nc1cccc(CN[C@H](C)c2cccc(F)c2)c1 ZINC000101543361 1119656111 /nfs/dbraw/zinc/65/61/11/1119656111.db2.gz LJPGBONXZNUVEB-GFCCVEGCSA-N 0 1 286.350 3.635 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000307811339 1119671739 /nfs/dbraw/zinc/67/17/39/1119671739.db2.gz IEQLCNYARYVGGO-GFCCVEGCSA-N 0 1 281.421 3.623 20 0 CHADMN CC[C@H](Cc1ccc(Cl)cc1)N[C@@H](C)c1csnn1 ZINC000658036408 1119672756 /nfs/dbraw/zinc/67/27/56/1119672756.db2.gz QJMPSUXGPOHHTE-GXFFZTMASA-N 0 1 295.839 3.863 20 0 CHADMN C[C@@H](NCc1cc(Cl)cc(Cl)c1)c1ccnn1C ZINC000658054395 1119675955 /nfs/dbraw/zinc/67/59/55/1119675955.db2.gz DSQUGBVIPBDJTF-SECBINFHSA-N 0 1 284.190 3.578 20 0 CHADMN CC[C@H](C)c1cccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000628432585 1128861947 /nfs/dbraw/zinc/86/19/47/1128861947.db2.gz JPWKHHMKKCKQLR-SWLSCSKDSA-N 0 1 297.402 3.982 20 0 CHADMN C[C@H](NCc1cccnc1N1CCCC1)c1cccc(F)c1 ZINC000658101475 1119685706 /nfs/dbraw/zinc/68/57/06/1119685706.db2.gz QTVWZPIPZMRDDK-AWEZNQCLSA-N 0 1 299.393 3.672 20 0 CHADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1cccc2ccccc21 ZINC000235361536 1119688474 /nfs/dbraw/zinc/68/84/74/1119688474.db2.gz SUZJVQXBYDAWLE-UKRRQHHQSA-N 0 1 283.371 3.525 20 0 CHADMN CC[C@H](C)CCN[C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000658121845 1119688690 /nfs/dbraw/zinc/68/86/90/1119688690.db2.gz QWGYBDTZLNECJL-SUMWQHHRSA-N 0 1 289.398 3.674 20 0 CHADMN C[C@H](NC[C@H](OC1CCCC1)C(F)(F)F)c1ccoc1 ZINC000658123408 1119689153 /nfs/dbraw/zinc/68/91/53/1119689153.db2.gz JHTYXLCJQTUWQH-GWCFXTLKSA-N 0 1 291.313 3.820 20 0 CHADMN COc1cccc(OC)c1CN[C@@H](C)c1cccs1 ZINC000658123212 1119689164 /nfs/dbraw/zinc/68/91/64/1119689164.db2.gz ZZVQSXFRYMGACS-NSHDSACASA-N 0 1 277.389 3.616 20 0 CHADMN C[C@H](CN(C)Cc1cn(C2CCC2)nn1)C1CCCCC1 ZINC000628455034 1128863023 /nfs/dbraw/zinc/86/30/23/1128863023.db2.gz GEBQPWFODNGGMK-CQSZACIVSA-N 0 1 290.455 3.651 20 0 CHADMN CC[C@@H](NCc1c(C2CC2)cnn1C)c1ccsc1 ZINC000658213520 1119707227 /nfs/dbraw/zinc/70/72/27/1119707227.db2.gz SNARRNSKNCZSJG-CQSZACIVSA-N 0 1 275.421 3.600 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H]2CCc3ccc(O)cc32)o1 ZINC000658238859 1119710320 /nfs/dbraw/zinc/71/03/20/1119710320.db2.gz LJULMCUJPOMIOK-IAQYHMDHSA-N 0 1 257.333 3.632 20 0 CHADMN Cc1c([C@H](C)N[C@@H]2CCc3ccc(O)cc32)cnn1C(C)C ZINC000658239110 1119710469 /nfs/dbraw/zinc/71/04/69/1119710469.db2.gz UIPOXPOCIQAZLF-KPZWWZAWSA-N 0 1 299.418 3.816 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(Cl)cn1 ZINC000658240567 1119711264 /nfs/dbraw/zinc/71/12/64/1119711264.db2.gz ZKTWKQOHNBMSIG-MGPLVRAMSA-N 0 1 288.778 3.779 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC000647377464 1119711986 /nfs/dbraw/zinc/71/19/86/1119711986.db2.gz LMTORXSTRKVLAH-MRXNPFEDSA-N 0 1 273.376 3.539 20 0 CHADMN CCc1ccc([C@H](C)N[C@H]2CCc3ccc(O)cc32)o1 ZINC000658234523 1119712332 /nfs/dbraw/zinc/71/23/32/1119712332.db2.gz AQFYQTCVJDUJIH-ZBEGNZNMSA-N 0 1 271.360 3.886 20 0 CHADMN Cc1cc([C@@H](C)NCc2c(C3CCC3)cnn2C)cs1 ZINC000658268115 1119713806 /nfs/dbraw/zinc/71/38/06/1119713806.db2.gz YUQCWSZEORIERZ-GFCCVEGCSA-N 0 1 289.448 3.908 20 0 CHADMN Cc1cncc([C@H](C)N[C@H](c2ccccc2)[C@@H](O)C(C)C)c1 ZINC000658288106 1119718656 /nfs/dbraw/zinc/71/86/56/1119718656.db2.gz MXKIYYPKZYRDEH-IPELMVKDSA-N 0 1 298.430 3.799 20 0 CHADMN CC1(C)OCC[C@@H]1CN[C@H](CCc1ccccc1)C(F)F ZINC000658333494 1119725702 /nfs/dbraw/zinc/72/57/02/1119725702.db2.gz YACXTNIOOQBQQX-HUUCEWRRSA-N 0 1 297.389 3.658 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2N[C@H]1C[C@H](C)n2ccnc21 ZINC000658341455 1119728051 /nfs/dbraw/zinc/72/80/51/1119728051.db2.gz XXPHREPAVLNIQC-JQFCIGGWSA-N 0 1 281.403 3.865 20 0 CHADMN CC[C@H](NCc1ccnc(OC)c1F)c1ccc(C)cc1 ZINC000892438747 1119736575 /nfs/dbraw/zinc/73/65/75/1119736575.db2.gz NEWWKLFIAXLIQE-HNNXBMFYSA-N 0 1 288.366 3.779 20 0 CHADMN Cc1[nH]ncc1C(=O)N1CCCc2cc(C(C)(C)C)ccc21 ZINC000179437949 1119737156 /nfs/dbraw/zinc/73/71/56/1119737156.db2.gz BBIDTUYFMDMTKM-UHFFFAOYSA-N 0 1 297.402 3.609 20 0 CHADMN Cc1cc(CN(C)[C@H]2CCc3ccccc32)sn1 ZINC000637887239 1129234364 /nfs/dbraw/zinc/23/43/64/1129234364.db2.gz QLAHZFKLDQAGTG-HNNXBMFYSA-N 0 1 258.390 3.571 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CCC(C2CCC2)CC1 ZINC000617773950 1128865926 /nfs/dbraw/zinc/86/59/26/1128865926.db2.gz IHJKRDTWWLWPID-UHFFFAOYSA-N 0 1 293.794 3.698 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1ccns1 ZINC000404448996 1119753936 /nfs/dbraw/zinc/75/39/36/1119753936.db2.gz PRRHEPYNVSXYLT-CYBMUJFWSA-N 0 1 276.405 3.848 20 0 CHADMN Cc1cc(CNCc2ccc(F)c(Cl)c2)sn1 ZINC000404466576 1119755381 /nfs/dbraw/zinc/75/53/81/1119755381.db2.gz XRTAULILMFUCEM-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN Cc1cccc(CCN2CC[C@@](F)(c3ccccc3)C2)n1 ZINC000584466517 1119765038 /nfs/dbraw/zinc/76/50/38/1119765038.db2.gz AGPCJNZOQBLIQS-SFHVURJKSA-N 0 1 284.378 3.503 20 0 CHADMN Cc1nc(CN2C[C@H](C)CC[C@@H]2c2ccccc2)[nH]c1C ZINC000628272889 1119782246 /nfs/dbraw/zinc/78/22/46/1119782246.db2.gz BJTPPPPVZYAORP-CXAGYDPISA-N 0 1 283.419 4.000 20 0 CHADMN c1cc2cc(CN(Cc3ccccn3)C3CC3)ccc2[nH]1 ZINC000628281029 1119789767 /nfs/dbraw/zinc/78/97/67/1119789767.db2.gz WFUNOEXNMPLBLK-UHFFFAOYSA-N 0 1 277.371 3.728 20 0 CHADMN C/C=C\C[C@H]1CCCN(Cc2csc(C)n2)C1 ZINC000626160685 1119791718 /nfs/dbraw/zinc/79/17/18/1119791718.db2.gz NKLCORDRDOQGMK-SCOBNMCVSA-N 0 1 250.411 3.630 20 0 CHADMN C[C@H](NC1CSC1)c1cc(Cl)ccc1Cl ZINC000309008229 1119798748 /nfs/dbraw/zinc/79/87/48/1119798748.db2.gz QTPAVQOHWOAXMU-ZETCQYMHSA-N 0 1 262.205 3.759 20 0 CHADMN C[C@@H](N[C@H]1COC(C)(C)C1)c1cc(-c2ccccc2)no1 ZINC000926679475 1119798783 /nfs/dbraw/zinc/79/87/83/1119798783.db2.gz ZDQVZATVFDXOAG-TZMCWYRMSA-N 0 1 286.375 3.560 20 0 CHADMN C/C(=C/c1ccccc1)CNCc1cn2cccc(C)c2n1 ZINC000236705843 1119802941 /nfs/dbraw/zinc/80/29/41/1119802941.db2.gz GJYMQLSPKNHXKB-PTNGSMBKSA-N 0 1 291.398 3.836 20 0 CHADMN Cc1[nH]ncc1CN(C)C(=O)c1ccc(C2=CCCC2)cc1 ZINC000636069287 1119811404 /nfs/dbraw/zinc/81/14/04/1119811404.db2.gz IMQIUWJHIXRNGO-UHFFFAOYSA-N 0 1 295.386 3.558 20 0 CHADMN Cc1ncsc1CN[C@@H]1CCOc2c(Cl)cccc21 ZINC001648924778 1119818349 /nfs/dbraw/zinc/81/83/49/1119818349.db2.gz RCTDPTNLXXLMDS-GFCCVEGCSA-N 0 1 294.807 3.718 20 0 CHADMN Cc1ccc(C(C)(C)C(=O)NOC2CCCCC2)cc1 ZINC000779323686 1128871780 /nfs/dbraw/zinc/87/17/80/1128871780.db2.gz SKIPQERHPRVAOI-UHFFFAOYSA-N 0 1 275.392 3.653 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H](C)c1cc(O)cc(F)c1 ZINC000924558204 1119829991 /nfs/dbraw/zinc/82/99/91/1119829991.db2.gz CXFYKPSFCBWGND-RYUDHWBXSA-N 0 1 289.350 3.952 20 0 CHADMN CC(C)CCCNCc1csc(C(F)(F)F)n1 ZINC000892515618 1119850546 /nfs/dbraw/zinc/85/05/46/1119850546.db2.gz URWMTWJFJKILKW-UHFFFAOYSA-N 0 1 266.332 3.688 20 0 CHADMN CO[C@@H](C(=O)Nc1cccc(Cl)c1O)C1CCCCC1 ZINC000613035230 1119852924 /nfs/dbraw/zinc/85/29/24/1119852924.db2.gz NXTMBNXVKCTXNL-CQSZACIVSA-N 0 1 297.782 3.579 20 0 CHADMN Cc1cn[nH]c1CN(C)Cc1ccc(Cl)cc1Cl ZINC000685833333 1119853201 /nfs/dbraw/zinc/85/32/01/1119853201.db2.gz XECAIJVXUCVFRA-UHFFFAOYSA-N 0 1 284.190 3.657 20 0 CHADMN CCCCN(Cc1[nH]ncc1C)Cc1ccccc1F ZINC000685834156 1119853744 /nfs/dbraw/zinc/85/37/44/1119853744.db2.gz ZKJXOTHRXMWCSS-UHFFFAOYSA-N 0 1 275.371 3.660 20 0 CHADMN CCCN(Cc1[nH]ncc1C)Cc1c(F)cccc1Cl ZINC000685833912 1119853927 /nfs/dbraw/zinc/85/39/27/1119853927.db2.gz CEVKRNVCZGFOOZ-UHFFFAOYSA-N 0 1 295.789 3.923 20 0 CHADMN Cc1c[nH]nc1C[N@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000685834875 1119854462 /nfs/dbraw/zinc/85/44/62/1119854462.db2.gz TVTXZXFDVYCQBW-KRWDZBQOSA-N 0 1 269.392 3.672 20 0 CHADMN Cc1c[nH]nc1CN1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000685834875 1119854473 /nfs/dbraw/zinc/85/44/73/1119854473.db2.gz TVTXZXFDVYCQBW-KRWDZBQOSA-N 0 1 269.392 3.672 20 0 CHADMN Cc1cn[nH]c1C[N@@H+]1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000685837879 1119856619 /nfs/dbraw/zinc/85/66/19/1119856619.db2.gz VDFDANZNGYUFNL-KBXCAEBGSA-N 0 1 283.419 4.000 20 0 CHADMN Cc1c[nH]nc1CN1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000685837879 1119856622 /nfs/dbraw/zinc/85/66/22/1119856622.db2.gz VDFDANZNGYUFNL-KBXCAEBGSA-N 0 1 283.419 4.000 20 0 CHADMN Cc1cn[nH]c1C[N@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000685838178 1119856779 /nfs/dbraw/zinc/85/67/79/1119856779.db2.gz XKUUVXQCQSKZFH-KRWDZBQOSA-N 0 1 269.392 3.672 20 0 CHADMN Cc1cn[nH]c1CN1CCc2ccc(C(C)(C)C)cc2C1 ZINC000685843221 1119863099 /nfs/dbraw/zinc/86/30/99/1119863099.db2.gz SHPWDMAOIHXDGA-UHFFFAOYSA-N 0 1 283.419 3.574 20 0 CHADMN CN(Cc1ccc(Cl)s1)C[C@@H](O)c1ccc(F)cc1 ZINC000066346944 1119868410 /nfs/dbraw/zinc/86/84/10/1119868410.db2.gz PNHMWFINYFLKBU-CYBMUJFWSA-N 0 1 299.798 3.706 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1cc(OC)no1)c1ccccc1 ZINC000924566818 1119873678 /nfs/dbraw/zinc/87/36/78/1119873678.db2.gz FBCVFSHKUSCBRI-GXTWGEPZSA-N 0 1 274.364 3.875 20 0 CHADMN Cc1cccc([C@H](C)N[C@H](C)c2cc3n(n2)CCC3)c1C ZINC000414080191 1119886026 /nfs/dbraw/zinc/88/60/26/1119886026.db2.gz CZECMJILZRMTHO-LSDHHAIUSA-N 0 1 283.419 3.858 20 0 CHADMN C[C@@H](N[C@@H](c1ccc(F)cc1)C(C)(C)C)c1ccn(C)n1 ZINC000414081016 1119887244 /nfs/dbraw/zinc/88/72/44/1119887244.db2.gz UDARUZOBLRSIGR-WBMJQRKESA-N 0 1 289.398 3.997 20 0 CHADMN C[C@H](N[C@H](c1nccs1)c1ccccc1)[C@H]1C[C@H]1C ZINC000414082027 1119888111 /nfs/dbraw/zinc/88/81/11/1119888111.db2.gz UUGBMQVXCLFKDV-DHMWGJHJSA-N 0 1 272.417 3.867 20 0 CHADMN CC(C)C[C@@H](N[C@@H](C)c1ccn(C)n1)c1cccs1 ZINC000414081564 1119888121 /nfs/dbraw/zinc/88/81/21/1119888121.db2.gz UJWLNNORMRBJMU-GXTWGEPZSA-N 0 1 277.437 3.920 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@H]2CCCC3(CC3)C2)c1 ZINC000613284852 1119898110 /nfs/dbraw/zinc/89/81/10/1119898110.db2.gz PPKAREIRESAFMI-ZDUSSCGKSA-N 0 1 287.359 3.504 20 0 CHADMN CN(CCC1CC1)Cc1cccc(F)c1Br ZINC000309346537 1119907626 /nfs/dbraw/zinc/90/76/26/1119907626.db2.gz LTXLCLKKNXRTIE-UHFFFAOYSA-N 0 1 286.188 3.820 20 0 CHADMN CO[C@H](C)[C@H](C)N[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414127979 1119909604 /nfs/dbraw/zinc/90/96/04/1119909604.db2.gz GGRWSVFAFUTUOO-RWMBFGLXSA-N 0 1 290.432 3.884 20 0 CHADMN C[C@@H](NCc1ccc(O)cc1)c1cccc(F)c1F ZINC000224983095 1119918784 /nfs/dbraw/zinc/91/87/84/1119918784.db2.gz QVHGEMMSGFAAJL-SNVBAGLBSA-N 0 1 263.287 3.521 20 0 CHADMN Cc1ccc(CN[C@H]2c3cc(F)ccc3C[C@H]2C)nc1C ZINC000414158937 1119919947 /nfs/dbraw/zinc/91/99/47/1119919947.db2.gz ATKRJSMYEDCBPN-KZULUSFZSA-N 0 1 284.378 3.861 20 0 CHADMN C[C@@H]1CCN(Cc2cn3ccccc3n2)[C@@H]2CCCC[C@H]12 ZINC000613416846 1119920404 /nfs/dbraw/zinc/92/04/04/1119920404.db2.gz ZSGBPOWVQTXALY-DJIMGWMZSA-N 0 1 283.419 3.735 20 0 CHADMN CCn1ccc(CN[C@@H](c2cccs2)C2CCCC2)n1 ZINC000414204155 1119937319 /nfs/dbraw/zinc/93/73/19/1119937319.db2.gz FQLJWEJZXLNZRK-MRXNPFEDSA-N 0 1 289.448 3.986 20 0 CHADMN CCn1ccc(CN[C@@H](c2ccccc2)C2CCCC2)n1 ZINC000414203662 1119937333 /nfs/dbraw/zinc/93/73/33/1119937333.db2.gz FEQOVTNZHVYIJL-SFHVURJKSA-N 0 1 283.419 3.924 20 0 CHADMN C[C@@H]1CCCCN1CCNc1ncc(Cl)cc1Cl ZINC000613491167 1119940232 /nfs/dbraw/zinc/94/02/32/1119940232.db2.gz HDHXIZIMMIMFLO-SNVBAGLBSA-N 0 1 288.222 3.675 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccn(C)n2)c2ccccc12 ZINC000414211895 1119941221 /nfs/dbraw/zinc/94/12/21/1119941221.db2.gz PTWIJIOUOTXXAV-AWEZNQCLSA-N 0 1 279.387 3.733 20 0 CHADMN CCn1ccc(CN[C@@H](C)c2cc(C)c(C)cc2C)n1 ZINC000414216430 1119943369 /nfs/dbraw/zinc/94/33/69/1119943369.db2.gz ZYRKIDITJMAGHN-HNNXBMFYSA-N 0 1 271.408 3.679 20 0 CHADMN CCc1ccc(-c2noc(CN(C)CCC(C)C)n2)cc1 ZINC000613502380 1119945191 /nfs/dbraw/zinc/94/51/91/1119945191.db2.gz KNYHAFXKEHOUJL-UHFFFAOYSA-N 0 1 287.407 3.777 20 0 CHADMN CCCC[C@@H](CC)NCc1nccc(C(F)(F)F)n1 ZINC000414232216 1119950051 /nfs/dbraw/zinc/95/00/51/1119950051.db2.gz CPLAPYUFDDMWER-SNVBAGLBSA-N 0 1 275.318 3.554 20 0 CHADMN Cc1ccccc1CN[C@@H](c1cnn(C)c1)c1ccccc1 ZINC000376357004 1119954225 /nfs/dbraw/zinc/95/42/25/1119954225.db2.gz XEZBOHUKLUJPIM-LJQANCHMSA-N 0 1 291.398 3.608 20 0 CHADMN c1coc(-c2cc(C[N@H+]3CCC[C@H]3C3CCC3)no2)c1 ZINC000170872362 1119962408 /nfs/dbraw/zinc/96/24/08/1119962408.db2.gz LNLOGZLEBAMUQH-AWEZNQCLSA-N 0 1 272.348 3.699 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000079417929 1119962893 /nfs/dbraw/zinc/96/28/93/1119962893.db2.gz VBSBIJFRUNCOHY-CYBMUJFWSA-N 0 1 293.382 3.782 20 0 CHADMN CC(C)C[C@H](C)C[C@H](C)N[C@H](C)c1csnn1 ZINC000414290609 1119968625 /nfs/dbraw/zinc/96/86/25/1119968625.db2.gz AEQIVYVCBZMELY-SDDRHHMPSA-N 0 1 255.431 3.650 20 0 CHADMN CSc1ccccc1C[C@H](C)N[C@@H](C)c1csnn1 ZINC000414293451 1119969107 /nfs/dbraw/zinc/96/91/07/1119969107.db2.gz CTEFGUYGKHKMKB-QWRGUYRKSA-N 0 1 293.461 3.542 20 0 CHADMN CC[C@H](C)[N@@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000170916161 1119969504 /nfs/dbraw/zinc/96/95/04/1119969504.db2.gz SUYNJDLRMBSSTE-AWEZNQCLSA-N 0 1 283.419 3.591 20 0 CHADMN CC[C@H](C)N(C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000170916161 1119969505 /nfs/dbraw/zinc/96/95/05/1119969505.db2.gz SUYNJDLRMBSSTE-AWEZNQCLSA-N 0 1 283.419 3.591 20 0 CHADMN CC[C@H](N[C@@H](C)c1csc(C(C)C)n1)[C@H](O)C(C)C ZINC000414294551 1119969578 /nfs/dbraw/zinc/96/95/78/1119969578.db2.gz NAUVOEYNDXVEBN-SGMGOOAPSA-N 0 1 284.469 3.713 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1csnn1 ZINC000414300150 1119972962 /nfs/dbraw/zinc/97/29/62/1119972962.db2.gz KUDOVAXHNRURBN-AEGPPILISA-N 0 1 287.432 3.600 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1Cc1noc(-c2ccccc2C)n1 ZINC000472579035 1119974951 /nfs/dbraw/zinc/97/49/51/1119974951.db2.gz OFCISUNBCXDEFX-TZMCWYRMSA-N 0 1 285.391 3.665 20 0 CHADMN CCC[C@H](CCc1ccccc1)N[C@@H](C)c1csnn1 ZINC000414308087 1119976170 /nfs/dbraw/zinc/97/61/70/1119976170.db2.gz SHTOBPCRTNMCPM-DZGCQCFKSA-N 0 1 289.448 3.990 20 0 CHADMN CCCCOc1cccc(CNCc2cnc(CC)nc2)c1 ZINC000414315103 1119979433 /nfs/dbraw/zinc/97/94/33/1119979433.db2.gz RIOYCURFKCIBTQ-UHFFFAOYSA-N 0 1 299.418 3.508 20 0 CHADMN CCCN(C)CC(=O)Nc1ccc(Cl)cc1C(C)C ZINC000628829588 1128881663 /nfs/dbraw/zinc/88/16/63/1128881663.db2.gz JGIIUZDPPMNLKO-UHFFFAOYSA-N 0 1 282.815 3.744 20 0 CHADMN Cc1cc(CN[C@H]2CCC(C)(C)c3ccccc32)nn1C ZINC000414321998 1119982923 /nfs/dbraw/zinc/98/29/23/1119982923.db2.gz DZORKMZNWMAERQ-KRWDZBQOSA-N 0 1 283.419 3.631 20 0 CHADMN CC(C)(C)c1nc(CN[C@@H]2CCC(F)(F)C2)cs1 ZINC000310832429 1119990592 /nfs/dbraw/zinc/99/05/92/1119990592.db2.gz MBAVRPIQUNCJNZ-SECBINFHSA-N 0 1 274.380 3.718 20 0 CHADMN COc1ccc(CN2CCC[C@@H]2C)c(C(F)(F)F)c1 ZINC001143471693 1119990764 /nfs/dbraw/zinc/99/07/64/1119990764.db2.gz KTTXZYNLBKEAAV-JTQLQIEISA-N 0 1 273.298 3.698 20 0 CHADMN CCOc1ccccc1[C@H](CC)NC/C=C\Cl ZINC000255909976 1119992597 /nfs/dbraw/zinc/99/25/97/1119992597.db2.gz YJZMBAWJOITULI-SZNGSJQDSA-N 0 1 253.773 3.879 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cccc(C)c2C)nc1 ZINC000134330953 1119993299 /nfs/dbraw/zinc/99/32/99/1119993299.db2.gz PYKSHOWBIYRZPN-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN C[C@@H](CN(C)C(=O)c1sccc1CN(C)C)C(C)(C)C ZINC000636430814 1119997468 /nfs/dbraw/zinc/99/74/68/1119997468.db2.gz LVLXUGDKGJNBFA-LBPRGKRZSA-N 0 1 296.480 3.564 20 0 CHADMN COc1ccc(CN(Cc2ccoc2C)C2CC2)cc1 ZINC000414370368 1120002365 /nfs/dbraw/zinc/00/23/65/1120002365.db2.gz KXWYMALAMINQKX-UHFFFAOYSA-N 0 1 271.360 3.761 20 0 CHADMN CCc1ncc(CN([C@@H](C)c2ccccc2)C2CC2)cn1 ZINC000414374845 1120004709 /nfs/dbraw/zinc/00/47/09/1120004709.db2.gz WSPJPNLBPOABIT-AWEZNQCLSA-N 0 1 281.403 3.765 20 0 CHADMN CCc1ncc(CN2CCC(c3ccccc3C)CC2)cn1 ZINC000414378579 1120007688 /nfs/dbraw/zinc/00/76/88/1120007688.db2.gz DNLNBBCHPJFBOC-UHFFFAOYSA-N 0 1 295.430 3.727 20 0 CHADMN CCCc1noc(CN[C@@H]2CCC[C@H]2CCC(C)C)n1 ZINC000472607834 1120012749 /nfs/dbraw/zinc/01/27/49/1120012749.db2.gz HGEVOMXWTSDOIW-UONOGXRCSA-N 0 1 279.428 3.717 20 0 CHADMN CC[C@H](NCc1ccc(C)nn1)c1ccc(Cl)s1 ZINC000414389145 1120013835 /nfs/dbraw/zinc/01/38/35/1120013835.db2.gz FGQXTUDFCXSKLR-NSHDSACASA-N 0 1 281.812 3.741 20 0 CHADMN CCCOc1ccc(CNc2ncnc3ccsc32)cc1 ZINC000613539001 1120013932 /nfs/dbraw/zinc/01/39/32/1120013932.db2.gz OKCBHFDHJSBIAR-UHFFFAOYSA-N 0 1 299.399 3.514 20 0 CHADMN CCOC(=O)/C=C\CN1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001167704983 1120015284 /nfs/dbraw/zinc/01/52/84/1120015284.db2.gz FWVRERWKQJSQAO-BMWKMLHNSA-N 0 1 299.414 3.507 20 0 CHADMN CCOc1ccccc1-c1ccc2nc[nH]c2c1C ZINC001239558756 1120018227 /nfs/dbraw/zinc/01/82/27/1120018227.db2.gz HAYLJMJCQOGXJM-UHFFFAOYSA-N 0 1 252.317 3.937 20 0 CHADMN CCOc1ccccc1-c1cc2nc[nH]c2c(C)c1 ZINC001239560142 1120019376 /nfs/dbraw/zinc/01/93/76/1120019376.db2.gz VAVJRZPBLFRETD-UHFFFAOYSA-N 0 1 252.317 3.937 20 0 CHADMN COc1ccc(CN2CCC(C)(C)C2)c(C(F)(F)F)c1 ZINC001143478702 1120022261 /nfs/dbraw/zinc/02/22/61/1120022261.db2.gz KVLUPQVXYAZJAT-UHFFFAOYSA-N 0 1 287.325 3.946 20 0 CHADMN CC(C)c1noc(CN2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000624555329 1120026620 /nfs/dbraw/zinc/02/66/20/1120026620.db2.gz WHXATMVFNHYECK-MRXNPFEDSA-N 0 1 299.418 3.790 20 0 CHADMN Cc1scc(CNCc2ccncc2Cl)c1C ZINC000399986374 1120036492 /nfs/dbraw/zinc/03/64/92/1120036492.db2.gz JYXAAWBHXZIUCI-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN COc1ccc(CNCc2csc(C)c2C)c(OC)c1 ZINC000399985677 1120037352 /nfs/dbraw/zinc/03/73/52/1120037352.db2.gz JPEFQZBZNGPEJS-UHFFFAOYSA-N 0 1 291.416 3.672 20 0 CHADMN CCc1cc(NC(=O)c2cc(-c3ccoc3)n[nH]2)ccc1F ZINC000671858826 1120049814 /nfs/dbraw/zinc/04/98/14/1120049814.db2.gz DKTBHASJKSKUEQ-UHFFFAOYSA-N 0 1 299.305 3.624 20 0 CHADMN Cc1ccoc1CN1CCC(Oc2ccccc2)CC1 ZINC000091682513 1120074311 /nfs/dbraw/zinc/07/43/11/1120074311.db2.gz FNRCZRCNXGXGDK-UHFFFAOYSA-N 0 1 271.360 3.631 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000091782739 1120076296 /nfs/dbraw/zinc/07/62/96/1120076296.db2.gz AWUMXODHGLGZGY-STQMWFEESA-N 0 1 279.380 3.797 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc([O-])c(F)c2F)C[C@H]1C ZINC001140889655 1120078175 /nfs/dbraw/zinc/07/81/75/1120078175.db2.gz JCCDPZDDLSBCIQ-WDEREUQCSA-N 0 1 269.335 3.538 20 0 CHADMN CSc1ccc(CN2CC(Cc3ccco3)C2)cc1 ZINC000628432267 1120083730 /nfs/dbraw/zinc/08/37/30/1120083730.db2.gz WNWCWZUELRAJJC-UHFFFAOYSA-N 0 1 273.401 3.676 20 0 CHADMN Cc1ccc(C)c(N2N=C3CCCCC[C@H]3C2=O)c1 ZINC000105669021 1120084173 /nfs/dbraw/zinc/08/41/73/1120084173.db2.gz BTYIOGOOOLPSBM-CYBMUJFWSA-N 0 1 256.349 3.586 20 0 CHADMN Cc1ccc(C)c(-n2[nH]c3c(c2=O)CCCCC3)c1 ZINC000105669021 1120084179 /nfs/dbraw/zinc/08/41/79/1120084179.db2.gz BTYIOGOOOLPSBM-CYBMUJFWSA-N 0 1 256.349 3.586 20 0 CHADMN CC[C@H]1CCCCN1C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000178845964 1120084695 /nfs/dbraw/zinc/08/46/95/1120084695.db2.gz YQYWUTAVKKTGHF-AWEZNQCLSA-N 0 1 299.418 3.595 20 0 CHADMN CC(=O)Nc1cccc2c1CCN(Cc1ccc(C)cc1)C2 ZINC000054390488 1120084966 /nfs/dbraw/zinc/08/49/66/1120084966.db2.gz GAMOCHAFXJECHP-UHFFFAOYSA-N 0 1 294.398 3.512 20 0 CHADMN c1coc(CC2CN(Cc3cc4ccncc4s3)C2)c1 ZINC000628433070 1120085960 /nfs/dbraw/zinc/08/59/60/1120085960.db2.gz FATGLNHYBLLRBT-UHFFFAOYSA-N 0 1 284.384 3.564 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1cnnn1C)c1ccc(Cl)cc1 ZINC000924593663 1120088421 /nfs/dbraw/zinc/08/84/21/1120088421.db2.gz XMHDPOABGLQFQB-XHDPSFHLSA-N 0 1 292.814 3.516 20 0 CHADMN COc1cccc2c1CC[C@@H]2NCc1cccc(C)c1OC ZINC000655812139 1120093041 /nfs/dbraw/zinc/09/30/41/1120093041.db2.gz ZZFZECUQFCFNAQ-KRWDZBQOSA-N 0 1 297.398 3.789 20 0 CHADMN COc1c(C)cccc1CN[C@@H](c1cccnc1)C(C)C ZINC000655813379 1120093580 /nfs/dbraw/zinc/09/35/80/1120093580.db2.gz WUCAYWPDNBLTSB-QGZVFWFLSA-N 0 1 284.403 3.886 20 0 CHADMN c1nc(CNCC(c2ccccc2)c2ccccc2)co1 ZINC000180235193 1120096706 /nfs/dbraw/zinc/09/67/06/1120096706.db2.gz HIEVJVNJOWJYBN-UHFFFAOYSA-N 0 1 278.355 3.596 20 0 CHADMN CCCc1cc(=O)n(-c2ccc(Cl)cc2Cl)[nH]1 ZINC000100868269 1120097437 /nfs/dbraw/zinc/09/74/37/1120097437.db2.gz ZHEPYXLWGQMQGT-UHFFFAOYSA-N 0 1 271.147 3.886 20 0 CHADMN CC[C@@H](NCc1cccc(CO)c1)c1ccccc1F ZINC000180473917 1120098902 /nfs/dbraw/zinc/09/89/02/1120098902.db2.gz WGGUXDUKAPYPIH-QGZVFWFLSA-N 0 1 273.351 3.559 20 0 CHADMN CCC[C@@H](NCc1oc(C)nc1C)c1ccccc1 ZINC000311860180 1120099265 /nfs/dbraw/zinc/09/92/65/1120099265.db2.gz RKRYGKVCNNBJAG-OAHLLOKOSA-N 0 1 258.365 3.922 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc(O)cc(F)c2)ccc1F ZINC000924594480 1120099678 /nfs/dbraw/zinc/09/96/78/1120099678.db2.gz OUTKFYRDTHYQPZ-NSHDSACASA-N 0 1 277.314 3.830 20 0 CHADMN COC[C@@H](N[C@@H](C)c1sc(C)nc1C)c1ccccc1 ZINC000180842108 1120100350 /nfs/dbraw/zinc/10/03/50/1120100350.db2.gz YOWUYXCFTRINRT-SWLSCSKDSA-N 0 1 290.432 3.798 20 0 CHADMN COc1ccc2oc([C@@H](C)NCc3ccccn3)c(C)c2c1 ZINC000106472529 1120100768 /nfs/dbraw/zinc/10/07/68/1120100768.db2.gz OIPXFKLDORGALZ-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN COc1cccc(-c2cc3nc[nH]c3c(C)c2)c1F ZINC001239747385 1120106846 /nfs/dbraw/zinc/10/68/46/1120106846.db2.gz GYBQBKIUHHHEIY-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN Clc1ccc([C@H]2CCN(Cc3cnco3)C2)cc1Cl ZINC001140932262 1120107279 /nfs/dbraw/zinc/10/72/79/1120107279.db2.gz GTHWLAQBOMQYEN-NSHDSACASA-N 0 1 297.185 3.971 20 0 CHADMN Cc1[nH]c2c(cc(C)cc2CNCc2ccncc2F)c1C ZINC000449130841 1128890720 /nfs/dbraw/zinc/89/07/20/1128890720.db2.gz IGADDWBIMNVPJG-UHFFFAOYSA-N 0 1 297.377 3.917 20 0 CHADMN CCC[C@H](NCc1cccc2[nH]c(=O)oc21)c1ccccn1 ZINC000921683697 1120108032 /nfs/dbraw/zinc/10/80/32/1120108032.db2.gz KUVKKOIDOKAAAJ-ZDUSSCGKSA-N 0 1 297.358 3.559 20 0 CHADMN COc1ccc(F)cc1CN[C@@H](C)c1cccc(F)c1 ZINC000181755050 1120108130 /nfs/dbraw/zinc/10/81/30/1120108130.db2.gz CBIAKNQHUIEDSH-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN COc1ccc(F)cc1CN[C@@H](C)c1ccccc1C ZINC000181753711 1120108212 /nfs/dbraw/zinc/10/82/12/1120108212.db2.gz VPVQAEHQEPXLAH-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN COc1ccnc(CN(C)[C@@H](C)c2cccc(Cl)c2)c1 ZINC000106933619 1120110089 /nfs/dbraw/zinc/11/00/89/1120110089.db2.gz VNHRZZMHVZTUEN-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Oc2ccccc2)c1 ZINC000388060804 1120111926 /nfs/dbraw/zinc/11/19/26/1120111926.db2.gz JBEVTJRBGVITCE-QGZVFWFLSA-N 0 1 299.370 3.774 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000659799994 1120113274 /nfs/dbraw/zinc/11/32/74/1120113274.db2.gz QMRFSUWOTZIXFP-JZXOWHBKSA-N 0 1 287.403 3.715 20 0 CHADMN CCCc1ccc(CNc2ccc3nc[nH]c3n2)cc1 ZINC001168636681 1120115528 /nfs/dbraw/zinc/11/55/28/1120115528.db2.gz UIPHSQMJMOGWGH-UHFFFAOYSA-N 0 1 266.348 3.523 20 0 CHADMN CC(C)C[C@H](N)c1noc(C(C2CCC2)C2CCC2)n1 ZINC000414617739 1120116538 /nfs/dbraw/zinc/11/65/38/1120116538.db2.gz LREOAXMYRRCLBJ-ZDUSSCGKSA-N 0 1 277.412 3.799 20 0 CHADMN COc1cc(CN2CCC(c3ccccc3)CC2)sn1 ZINC000659822633 1120117870 /nfs/dbraw/zinc/11/78/70/1120117870.db2.gz MODFLRRNOSEKGG-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN CO[C@H](C)CN[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000182419321 1120119343 /nfs/dbraw/zinc/11/93/43/1120119343.db2.gz FDVTXFBRIRFOQV-HTQZYQBOSA-N 0 1 280.170 3.818 20 0 CHADMN CCC[N@@H+](CC1CCCCC1)[C@@H](C(=O)[O-])[C@H](C)CC ZINC000903595030 1120122201 /nfs/dbraw/zinc/12/22/01/1120122201.db2.gz IPZLMSNAODBJPT-UKRRQHHQSA-N 0 1 269.429 3.778 20 0 CHADMN CO[C@H](CN(C)Cc1nc2ccccc2s1)C1CCC1 ZINC000659829758 1120122724 /nfs/dbraw/zinc/12/27/24/1120122724.db2.gz BISIFNFDCFGWSO-CQSZACIVSA-N 0 1 290.432 3.543 20 0 CHADMN Cc1cccc(CN(C)Cc2cc(Cl)ccn2)c1 ZINC000092407581 1120131834 /nfs/dbraw/zinc/13/18/34/1120131834.db2.gz WLXRVFILUYHCKP-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN C[C@@H]1CCC[C@H](C[N@@H+](CCC(=O)[O-])Cc2ccccc2)C1 ZINC000692509033 1120134661 /nfs/dbraw/zinc/13/46/61/1120134661.db2.gz QJUSUNMZBMAONI-WBVHZDCISA-N 0 1 289.419 3.790 20 0 CHADMN C[C@H]1CCC[C@H](C[N@@H+](CCC(=O)[O-])Cc2ccccc2)C1 ZINC000692509032 1120136178 /nfs/dbraw/zinc/13/61/78/1120136178.db2.gz QJUSUNMZBMAONI-RDJZCZTQSA-N 0 1 289.419 3.790 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2ccc(Br)o2)C1 ZINC000378909881 1120140960 /nfs/dbraw/zinc/14/09/60/1120140960.db2.gz ITPKKQOCKMYYOE-SNVBAGLBSA-N 0 1 286.213 3.910 20 0 CHADMN CCCSC[C@H](C)NCc1nc(C)c2ccccc2n1 ZINC000892806017 1120145386 /nfs/dbraw/zinc/14/53/86/1120145386.db2.gz VZBZAKCMZRBDBU-LBPRGKRZSA-N 0 1 289.448 3.560 20 0 CHADMN c1nc2c(s1)CCC[C@@H]2NC[C@@H]1CCC2(CCCC2)O1 ZINC000624010030 1120147669 /nfs/dbraw/zinc/14/76/69/1120147669.db2.gz GIUUXMQITZYUHE-STQMWFEESA-N 0 1 292.448 3.602 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2ccncc2F)C1 ZINC000449321623 1128894047 /nfs/dbraw/zinc/89/40/47/1128894047.db2.gz TULCUSFGWOHMAQ-DYVFJYSZSA-N 0 1 270.351 3.804 20 0 CHADMN CN(C)Cc1cc(NCc2ccncc2F)ccc1Cl ZINC000449303025 1128894174 /nfs/dbraw/zinc/89/41/74/1128894174.db2.gz LPXWNKSRECSZGF-UHFFFAOYSA-N 0 1 293.773 3.548 20 0 CHADMN CC[C@H](NCc1oc(C)nc1C)c1ccc(OC)cc1 ZINC000312506494 1120152674 /nfs/dbraw/zinc/15/26/74/1120152674.db2.gz ZXWJTDWOCHOUSW-HNNXBMFYSA-N 0 1 274.364 3.541 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc(C)c(C)n2)cc1 ZINC000313897439 1120157461 /nfs/dbraw/zinc/15/74/61/1120157461.db2.gz GANCHKQKBCUHRC-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(C)cc(C)c2)o1 ZINC000892903567 1120158243 /nfs/dbraw/zinc/15/82/43/1120158243.db2.gz RXAWDRPFHSNRFT-CYBMUJFWSA-N 0 1 259.349 3.756 20 0 CHADMN Fc1ccccc1-c1ccc(CN2CC3(CC3)C2)o1 ZINC000449369602 1128894994 /nfs/dbraw/zinc/89/49/94/1128894994.db2.gz FFIRBJVIAKMAFN-UHFFFAOYSA-N 0 1 257.308 3.682 20 0 CHADMN Cc1ccc(C)c(N[C@@H]2CCCc3cccnc32)n1 ZINC001168649734 1120165552 /nfs/dbraw/zinc/16/55/52/1120165552.db2.gz ICNWXOHELVAPLY-CQSZACIVSA-N 0 1 253.349 3.583 20 0 CHADMN CCn1cc(CN[C@H](C)c2ccc(C(F)(F)F)cc2)cn1 ZINC000112095960 1120168285 /nfs/dbraw/zinc/16/82/85/1120168285.db2.gz MZPMFFGBSXRYCF-LLVKDONJSA-N 0 1 297.324 3.773 20 0 CHADMN Cc1cncc([C@H](C)NCc2ccnc(OC3CCC3)c2)c1 ZINC000343844000 1120170711 /nfs/dbraw/zinc/17/07/11/1120170711.db2.gz MBBMGGFXNLKFFK-AWEZNQCLSA-N 0 1 297.402 3.567 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1noc2c1CCCC2)C1CC1 ZINC000108917955 1120174086 /nfs/dbraw/zinc/17/40/86/1120174086.db2.gz MEFZXRKHFOPMFQ-CHWSQXEVSA-N 0 1 276.424 3.952 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccsc1Cl ZINC000189500116 1120177369 /nfs/dbraw/zinc/17/73/69/1120177369.db2.gz CKXHKBBXRIRCBQ-UHFFFAOYSA-N 0 1 283.784 3.809 20 0 CHADMN CCCSC[C@H](C)NCc1coc(-c2ccccc2)n1 ZINC000892956795 1120180472 /nfs/dbraw/zinc/18/04/72/1120180472.db2.gz XBOHHORKLKOPGZ-ZDUSSCGKSA-N 0 1 290.432 3.963 20 0 CHADMN COc1cc(CN(C)CCCCc2ccccc2)sn1 ZINC000659847589 1120180616 /nfs/dbraw/zinc/18/06/16/1120180616.db2.gz YLLHWMJGEGNTNE-UHFFFAOYSA-N 0 1 290.432 3.606 20 0 CHADMN CCn1cc(CNCc2oc3ccccc3c2C)c(C)n1 ZINC000892957143 1120181089 /nfs/dbraw/zinc/18/10/89/1120181089.db2.gz NYQDTYPZOLRNCA-UHFFFAOYSA-N 0 1 283.375 3.556 20 0 CHADMN CC(C)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1F ZINC000303730159 1120181336 /nfs/dbraw/zinc/18/13/36/1120181336.db2.gz YYHHEFUYGGCBDU-CQSZACIVSA-N 0 1 253.336 3.975 20 0 CHADMN Cc1cccnc1[C@@H](NCc1cnc(F)cc1C)C(C)C ZINC000892964261 1120182683 /nfs/dbraw/zinc/18/26/83/1120182683.db2.gz NLPOOYGUXDEFEZ-INIZCTEOSA-N 0 1 287.382 3.719 20 0 CHADMN Cc1ccccc1[C@H]1C[C@H](C)N(CC(=O)OC(C)(C)C)C1 ZINC000303786959 1120183638 /nfs/dbraw/zinc/18/36/38/1120183638.db2.gz UGPXLVQLFAYFII-GJZGRUSLSA-N 0 1 289.419 3.515 20 0 CHADMN Cc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)c(F)c1 ZINC000404912114 1120185663 /nfs/dbraw/zinc/18/56/63/1120185663.db2.gz CITSLVOMFQWQKD-UHFFFAOYSA-N 0 1 293.363 3.552 20 0 CHADMN COC[C@@H](C)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000189544835 1120187412 /nfs/dbraw/zinc/18/74/12/1120187412.db2.gz DGDURTFSDMJEEL-ZDUSSCGKSA-N 0 1 279.405 3.626 20 0 CHADMN CCc1nc(CN(C)C[C@H](CC)CC(F)F)cs1 ZINC000659857153 1120198623 /nfs/dbraw/zinc/19/86/23/1120198623.db2.gz HILRREUYKUFRFL-SNVBAGLBSA-N 0 1 276.396 3.819 20 0 CHADMN Cc1cc(CNCc2ccc(Cl)c(C)c2Cl)[nH]n1 ZINC000921759203 1120201602 /nfs/dbraw/zinc/20/16/02/1120201602.db2.gz ZTZKINTWXMQLDE-UHFFFAOYSA-N 0 1 284.190 3.623 20 0 CHADMN CC[C@@H](NCc1cc(O)cc(Cl)c1)c1ccncc1 ZINC000893032125 1120204689 /nfs/dbraw/zinc/20/46/89/1120204689.db2.gz IBHHTNSMJWXMOQ-OAHLLOKOSA-N 0 1 276.767 3.682 20 0 CHADMN COc1ccc(CNC(C)(C)c2cccc(Cl)c2)o1 ZINC000893042510 1120205543 /nfs/dbraw/zinc/20/55/43/1120205543.db2.gz SJWZKZBOCOSNGG-UHFFFAOYSA-N 0 1 279.767 3.967 20 0 CHADMN CCCOc1cccc(CN[C@H](C)c2c(C)noc2C)c1 ZINC000073007037 1120206176 /nfs/dbraw/zinc/20/61/76/1120206176.db2.gz NHWVMQZCWTZJNE-GFCCVEGCSA-N 0 1 288.391 3.931 20 0 CHADMN C[C@H](c1ccccc1Cl)N1CCC[C@H](n2cccn2)C1 ZINC000338724032 1120213547 /nfs/dbraw/zinc/21/35/47/1120213547.db2.gz GREKJWLOVAUTNX-KGLIPLIRSA-N 0 1 289.810 3.935 20 0 CHADMN CC(C)=C1CC[C@@H](C)C[C@@H]1N[C@H]1CCCn2nc(C)nc21 ZINC000925502656 1120217830 /nfs/dbraw/zinc/21/78/30/1120217830.db2.gz LOHZRZLVKSVOPR-KCXAZCMYSA-N 0 1 288.439 3.536 20 0 CHADMN CCO[C@@H](CCNCc1nc(C(C)(C)C)co1)C(C)C ZINC000921806572 1120221470 /nfs/dbraw/zinc/22/14/70/1120221470.db2.gz PQTKFIWPYHKNJR-ZDUSSCGKSA-N 0 1 282.428 3.513 20 0 CHADMN Cc1ccncc1-c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC001239973388 1120222939 /nfs/dbraw/zinc/22/29/39/1120222939.db2.gz GOCJWTPTHIZFQX-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nc(-c2ccc(C)cc2)no1 ZINC000061757130 1120229572 /nfs/dbraw/zinc/22/95/72/1120229572.db2.gz PZDWLQBJCHGFRR-OAHLLOKOSA-N 0 1 285.391 3.810 20 0 CHADMN CC1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000061758096 1120229719 /nfs/dbraw/zinc/22/97/19/1120229719.db2.gz BJHNSFGKLQCZFA-UHFFFAOYSA-N 0 1 295.810 3.733 20 0 CHADMN Cc1ccccc1CN(C)Cc1nc2ccccc2nc1C ZINC000061760102 1120229920 /nfs/dbraw/zinc/22/99/20/1120229920.db2.gz UHXRLRNWHGLYEP-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN CO[C@@H](C)c1cccc(N[C@H]2CCCc3[nH]ncc32)c1 ZINC000353648575 1128900641 /nfs/dbraw/zinc/90/06/41/1128900641.db2.gz PKKCGJCDJDTSLT-NHYWBVRUSA-N 0 1 271.364 3.607 20 0 CHADMN CC[C@H](c1ccccc1OC)N(C)Cc1cc(C)nnc1C ZINC000930491412 1120239272 /nfs/dbraw/zinc/23/92/72/1120239272.db2.gz BRNBGQUGNUOJCU-QGZVFWFLSA-N 0 1 299.418 3.685 20 0 CHADMN Fc1cccc(CN2CCC[C@@H]2C2CC2)c1OC(F)F ZINC000659878690 1120242613 /nfs/dbraw/zinc/24/26/13/1120242613.db2.gz PYUCCYCBCHIRDH-CYBMUJFWSA-N 0 1 285.309 3.802 20 0 CHADMN Cc1ccc(CCCCc2nc([C@H](N)C(C)C)no2)cc1 ZINC000843148746 1120248427 /nfs/dbraw/zinc/24/84/27/1120248427.db2.gz DFSOIJRIJPGZJL-MRXNPFEDSA-N 0 1 287.407 3.599 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2cc3cc(Cl)ccc3o2)n1 ZINC000843148303 1120251249 /nfs/dbraw/zinc/25/12/49/1120251249.db2.gz PHPKZCGZCIXDIU-LBPRGKRZSA-N 0 1 291.738 3.792 20 0 CHADMN Cc1cc(CCCc2nc([C@@H](N)C(C)C)no2)c(C)s1 ZINC000843149275 1120253429 /nfs/dbraw/zinc/25/34/29/1120253429.db2.gz LPGAHACDBRHVPB-AWEZNQCLSA-N 0 1 293.436 3.579 20 0 CHADMN CC[C@@H](C)Oc1ccc(-c2nc([C@H](N)C(C)C)no2)cc1 ZINC000843149297 1120253597 /nfs/dbraw/zinc/25/35/97/1120253597.db2.gz MICWNTBYOJBTLZ-BXUZGUMPSA-N 0 1 289.379 3.570 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@H](C)CCc2ccccc2F)n1 ZINC000843149223 1120254137 /nfs/dbraw/zinc/25/41/37/1120254137.db2.gz JZVXCTLCUKGAPG-BXUZGUMPSA-N 0 1 291.370 3.601 20 0 CHADMN C[C@@H](N[C@H](CC1CC1)c1ccccc1)c1ccncn1 ZINC000651298211 1120258072 /nfs/dbraw/zinc/25/80/72/1120258072.db2.gz LWWJFQNDZLZIDM-CXAGYDPISA-N 0 1 267.376 3.669 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@H]1NCc1cccc(F)c1F ZINC000111411594 1120260599 /nfs/dbraw/zinc/26/05/99/1120260599.db2.gz ZJXDVJNVCYWHFS-DIFFPNOSSA-N 0 1 273.326 3.988 20 0 CHADMN CN1Cc2ccc(NCc3nc(C(C)(C)C)co3)cc2C1 ZINC000921877821 1120261773 /nfs/dbraw/zinc/26/17/73/1120261773.db2.gz FWGRMPHOUYGMPR-UHFFFAOYSA-N 0 1 285.391 3.530 20 0 CHADMN C[C@@H]1Cc2cc(CNc3ccc4c(c3)CN(C)C4)ccc2O1 ZINC000921879791 1120263491 /nfs/dbraw/zinc/26/34/91/1120263491.db2.gz XPUKLSFWJGXNEM-CYBMUJFWSA-N 0 1 294.398 3.568 20 0 CHADMN Cc1ccc(-c2noc(CN3CCC[C@H]4CCC[C@@H]43)n2)cc1 ZINC000075768819 1120266162 /nfs/dbraw/zinc/26/61/62/1120266162.db2.gz ZLISJOOYWIZBQX-ZBFHGGJFSA-N 0 1 297.402 3.810 20 0 CHADMN Cc1nc(CN2CCC(c3ccccc3C)CC2)c(C)o1 ZINC000659906757 1120276548 /nfs/dbraw/zinc/27/65/48/1120276548.db2.gz PJFPNFWWUSWMKK-UHFFFAOYSA-N 0 1 284.403 3.979 20 0 CHADMN CCc1nc([C@H](C)N2CCC(c3ccccc3C)CC2)n[nH]1 ZINC000659907036 1120278387 /nfs/dbraw/zinc/27/83/87/1120278387.db2.gz VOUWHBILJNNMCR-AWEZNQCLSA-N 0 1 298.434 3.616 20 0 CHADMN Cc1cc(C)cc(CSc2nc(-c3ccccn3)n[nH]2)c1 ZINC000522684419 1120282224 /nfs/dbraw/zinc/28/22/24/1120282224.db2.gz CPBHKZFUWVVRCA-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN C[C@@H](NCc1nn(C)c2ccccc12)c1ccc(F)cc1 ZINC000112338579 1120282538 /nfs/dbraw/zinc/28/25/38/1120282538.db2.gz OPBHFQQVHKSRGM-GFCCVEGCSA-N 0 1 283.350 3.563 20 0 CHADMN CC(C)[C@@H]1CCCC[C@@H]1NCC(F)(F)C(F)F ZINC000227015954 1120291773 /nfs/dbraw/zinc/29/17/73/1120291773.db2.gz PVFWJIOTALHRMY-UWVGGRQHSA-N 0 1 255.299 3.691 20 0 CHADMN Cc1nc(CN(C2CC2)C2CCCCC2)cs1 ZINC000076719532 1120294260 /nfs/dbraw/zinc/29/42/60/1120294260.db2.gz UHGYUKLMXZMCMW-UHFFFAOYSA-N 0 1 250.411 3.749 20 0 CHADMN COC(=O)c1oc([C@H](C)N[C@@H](C)c2ccccc2)cc1C ZINC000181349450 1120294797 /nfs/dbraw/zinc/29/47/97/1120294797.db2.gz FIJAIKRORUWGPO-STQMWFEESA-N 0 1 287.359 3.786 20 0 CHADMN CCC(C)(C)NC(=O)CN1CCCCC[C@H]1c1ccco1 ZINC000076803487 1120297441 /nfs/dbraw/zinc/29/74/41/1120297441.db2.gz JTOIQBNOVQRHSY-AWEZNQCLSA-N 0 1 292.423 3.502 20 0 CHADMN CN(C(=O)c1cccc2[nH]cnc21)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416282385 1120302459 /nfs/dbraw/zinc/30/24/59/1120302459.db2.gz CGPRWNYEQXUHMT-DZGCQCFKSA-N 0 1 299.418 3.850 20 0 CHADMN CN(C(=O)c1ccc2cncn2c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416281877 1120302501 /nfs/dbraw/zinc/30/25/01/1120302501.db2.gz AZYLMNOCACCSNQ-JKSUJKDBSA-N 0 1 299.418 3.621 20 0 CHADMN CCCc1cc(C(=O)N(CCC)CC2CCCCC2)n[nH]1 ZINC000618357880 1128906564 /nfs/dbraw/zinc/90/65/64/1128906564.db2.gz CSWAPCKQKLJIHI-UHFFFAOYSA-N 0 1 291.439 3.795 20 0 CHADMN CN(Cc1ccon1)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000659948767 1120304284 /nfs/dbraw/zinc/30/42/84/1120304284.db2.gz WOFJUJYDIPIUMF-GDBMZVCRSA-N 0 1 270.376 3.690 20 0 CHADMN COc1cc(CN2CCC[C@@H]2c2cccc(C)c2C)on1 ZINC000659950650 1120307100 /nfs/dbraw/zinc/30/71/00/1120307100.db2.gz PZDCZYVQFOTZCH-MRXNPFEDSA-N 0 1 286.375 3.637 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccccc3)[C@H](C)C2)c(C)o1 ZINC000659955703 1120307941 /nfs/dbraw/zinc/30/79/41/1120307941.db2.gz MHVABVFWTSOJOD-DYVFJYSZSA-N 0 1 284.403 3.917 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccccc3)[C@H](C)C2)co1 ZINC000659957262 1120309501 /nfs/dbraw/zinc/30/95/01/1120309501.db2.gz ZBKVDQXCQMXHKX-DYVFJYSZSA-N 0 1 270.376 3.609 20 0 CHADMN CCC[C@H]1CCCCN1Cc1scnc1Cl ZINC001137822481 1120311167 /nfs/dbraw/zinc/31/11/67/1120311167.db2.gz BMIXJJICBUWHCK-JTQLQIEISA-N 0 1 258.818 3.951 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2F)N(CCO[C@H]2CC2(F)F)C1 ZINC000659963499 1120312715 /nfs/dbraw/zinc/31/27/15/1120312715.db2.gz ZVUFYLYNJOQUNN-UGFHNGPFSA-N 0 1 299.336 3.633 20 0 CHADMN CC1(C)CC[C@H](NCc2csc(C(F)(F)F)n2)C1 ZINC000893221288 1120317244 /nfs/dbraw/zinc/31/72/44/1120317244.db2.gz OBOBRUUBYAQLPO-QMMMGPOBSA-N 0 1 278.343 3.830 20 0 CHADMN c1ccc2c(c1)CN(Cc1cccc3cccnc31)CCO2 ZINC000077233913 1120320314 /nfs/dbraw/zinc/32/03/14/1120320314.db2.gz XBCMHPAEPQZAGP-UHFFFAOYSA-N 0 1 290.366 3.629 20 0 CHADMN CC(C)(NCc1cncc(F)c1)c1ccc(Cl)cc1 ZINC000274403960 1120323080 /nfs/dbraw/zinc/32/30/80/1120323080.db2.gz YKMSBGPDVVXTJI-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN COc1nc(C)cc(C)c1CN(C)[C@@H]1CCc2ccccc21 ZINC000672535851 1120323425 /nfs/dbraw/zinc/32/34/25/1120323425.db2.gz OFJUTYKDTYLYKQ-GOSISDBHSA-N 0 1 296.414 3.826 20 0 CHADMN CCC[C@@H](C)CCC[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000629364012 1128908077 /nfs/dbraw/zinc/90/80/77/1128908077.db2.gz JZNLKRVVGRZYFQ-KGLIPLIRSA-N 0 1 257.418 3.634 20 0 CHADMN c1c(CN2CCSC3(CCCCC3)C2)onc1C1CC1 ZINC000659994945 1120331269 /nfs/dbraw/zinc/33/12/69/1120331269.db2.gz QEOQJHWCTTUGSM-UHFFFAOYSA-N 0 1 292.448 3.804 20 0 CHADMN Fc1cccc(CN2CCC3(CCC3)C2)c1OC(F)F ZINC000660000207 1120333777 /nfs/dbraw/zinc/33/37/77/1120333777.db2.gz QCGNODCPYBGSRD-UHFFFAOYSA-N 0 1 285.309 3.803 20 0 CHADMN Cc1nc(CN2CCC[C@@H](CC(C)C)C2)c(C)o1 ZINC000660000446 1120334526 /nfs/dbraw/zinc/33/45/26/1120334526.db2.gz AJYHHWYBTYABFX-AWEZNQCLSA-N 0 1 250.386 3.550 20 0 CHADMN Cc1nc(CN2CCC(CCC(C)C)CC2)c(C)o1 ZINC000660001853 1120335351 /nfs/dbraw/zinc/33/53/51/1120335351.db2.gz GJBSAOXSPPSYJB-UHFFFAOYSA-N 0 1 264.413 3.940 20 0 CHADMN COc1ccc([C@H](C)[C@@H](C)N[C@@H]2CCCC2(F)F)cc1 ZINC000672622914 1120337882 /nfs/dbraw/zinc/33/78/82/1120337882.db2.gz YTKYOIZUCAQAKB-LALPHHSUSA-N 0 1 283.362 3.965 20 0 CHADMN CC[C@H](CC(F)F)CN1CCO[C@@H](c2cccs2)C1 ZINC000660006053 1120339110 /nfs/dbraw/zinc/33/91/10/1120339110.db2.gz YGJNKESSUKSQGQ-VXGBXAGGSA-N 0 1 289.391 3.803 20 0 CHADMN CC(C)OCCCN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511559441 1120340214 /nfs/dbraw/zinc/34/02/14/1120340214.db2.gz ZYBCCMYZQFQAPZ-OAHLLOKOSA-N 0 1 267.800 3.902 20 0 CHADMN Cc1nc(CN2CCC[C@H]2CCC2CCCC2)co1 ZINC000660013593 1120341013 /nfs/dbraw/zinc/34/10/13/1120341013.db2.gz QVNGGJYIPUBDJV-INIZCTEOSA-N 0 1 262.397 3.918 20 0 CHADMN C[C@@H](N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(Cl)c1 ZINC000166608379 1120346216 /nfs/dbraw/zinc/34/62/16/1120346216.db2.gz DBDRSUAOPNOTEO-NVGVWMPQSA-N 0 1 287.790 3.649 20 0 CHADMN CCCn1cc(CN[C@@H](C)c2cc(C)sc2C)cn1 ZINC000116912873 1120349440 /nfs/dbraw/zinc/34/94/40/1120349440.db2.gz SZNASWLNGUCRGU-LBPRGKRZSA-N 0 1 277.437 3.822 20 0 CHADMN CC(C)=CCCNC1(c2noc(C)n2)CCCCCC1 ZINC000660040087 1120350960 /nfs/dbraw/zinc/35/09/60/1120350960.db2.gz TWCSYLSPMCDCII-UHFFFAOYSA-N 0 1 277.412 3.873 20 0 CHADMN Cc1cccc(C2(NCc3cc(C)nc(C)n3)CCCC2)c1 ZINC000660064847 1120359219 /nfs/dbraw/zinc/35/92/19/1120359219.db2.gz VRGKMXWQRFAEJL-UHFFFAOYSA-N 0 1 295.430 3.961 20 0 CHADMN CCC(C)(C)CC(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000765971496 1120364101 /nfs/dbraw/zinc/36/41/01/1120364101.db2.gz LJEKNRDMLFXQBE-AWEZNQCLSA-N 0 1 293.407 3.614 20 0 CHADMN Fc1ccc([C@H]2CCN(Cc3scnc3Cl)C2)cc1 ZINC001137823716 1120366272 /nfs/dbraw/zinc/36/62/72/1120366272.db2.gz OHHPWLQHLQMZKJ-NSHDSACASA-N 0 1 296.798 3.925 20 0 CHADMN CCc1cc(CNC2c3ccccc3-c3ccccc32)[nH]n1 ZINC000779406763 1128912525 /nfs/dbraw/zinc/91/25/25/1128912525.db2.gz XXHGCGFWQSKGCN-UHFFFAOYSA-N 0 1 289.382 3.832 20 0 CHADMN COCCSCCCN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511597271 1120392852 /nfs/dbraw/zinc/39/28/52/1120392852.db2.gz UVFSHEKDDUGIGQ-OAHLLOKOSA-N 0 1 299.867 3.857 20 0 CHADMN FC(F)CN[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000681411310 1120400562 /nfs/dbraw/zinc/40/05/62/1120400562.db2.gz SPDSGQQOBLIREE-KBPBESRZSA-N 0 1 253.336 3.643 20 0 CHADMN C[C@H]1CCCCC[C@H]1NCc1noc(-c2cccs2)n1 ZINC000681411573 1120401308 /nfs/dbraw/zinc/40/13/08/1120401308.db2.gz GRSZZOLIQNBYOF-NWDGAFQWSA-N 0 1 291.420 3.857 20 0 CHADMN Cc1cccc(CN(C)[C@H](C)c2cnc(C)nc2C)c1 ZINC000681661711 1120404261 /nfs/dbraw/zinc/40/42/61/1120404261.db2.gz QYSVSXMJCDFNML-CQSZACIVSA-N 0 1 269.392 3.595 20 0 CHADMN Cc1cc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)cc(Cl)n1 ZINC000320827896 1120406770 /nfs/dbraw/zinc/40/67/70/1120406770.db2.gz DJHQTCRYDPHNNN-HIFRSBDPSA-N 0 1 296.842 3.559 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H]2CCS[C@@H]2C)cs1 ZINC000682162167 1120411432 /nfs/dbraw/zinc/41/14/32/1120411432.db2.gz FQUANVIYLAFJLV-AXFHLTTASA-N 0 1 270.467 3.811 20 0 CHADMN COc1ccc(CN2CC[C@H](C)[C@H]2C)cc1Br ZINC000380707641 1120414881 /nfs/dbraw/zinc/41/48/81/1120414881.db2.gz RTTPSNUVIDIZIP-WDEREUQCSA-N 0 1 298.224 3.688 20 0 CHADMN COC[C@H](C)Sc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000078961988 1120415231 /nfs/dbraw/zinc/41/52/31/1120415231.db2.gz RPMMMYXICDMDGB-ZETCQYMHSA-N 0 1 290.310 3.709 20 0 CHADMN FCCSc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000078962012 1120415347 /nfs/dbraw/zinc/41/53/47/1120415347.db2.gz KGZRKCMEDPVFKG-UHFFFAOYSA-N 0 1 264.247 3.643 20 0 CHADMN CCc1nocc1CN[C@H](C)c1cccc(Cl)c1 ZINC000660174337 1120415380 /nfs/dbraw/zinc/41/53/80/1120415380.db2.gz ZIIGFUMCIOQIGG-SNVBAGLBSA-N 0 1 264.756 3.741 20 0 CHADMN Fc1cc(Cl)ccc1CN1CC[C@@H](c2cccnc2)C1 ZINC000584716123 1120418284 /nfs/dbraw/zinc/41/82/84/1120418284.db2.gz BQYLFJWLUQHYNM-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN O=C(C[C@@H]1C=CCCC1)Nc1cccc2c1CN(C1CC1)C2 ZINC000364064396 1120418962 /nfs/dbraw/zinc/41/89/62/1120418962.db2.gz VHGSOHDXRSEIGS-CQSZACIVSA-N 0 1 296.414 3.850 20 0 CHADMN CCCCC[N@@H+](CCOc1ccccc1C(=O)[O-])C(C)C ZINC000042557890 1120420289 /nfs/dbraw/zinc/42/02/89/1120420289.db2.gz FHJNHKDZCZEXRO-UHFFFAOYSA-N 0 1 293.407 3.664 20 0 CHADMN COc1cc(CN2CC[C@H]2C2CC2)cc(C(F)(F)F)c1 ZINC000628297542 1120424622 /nfs/dbraw/zinc/42/46/22/1120424622.db2.gz BUORBMIGLYNYAV-AWEZNQCLSA-N 0 1 285.309 3.698 20 0 CHADMN CCN(Cc1c(F)cncc1F)C1CCCCC1 ZINC000929270583 1120425295 /nfs/dbraw/zinc/42/52/95/1120425295.db2.gz OYURYFCWSBYXQJ-UHFFFAOYSA-N 0 1 254.324 3.514 20 0 CHADMN CCc1ccc([C@@H](NCc2nc(C)c[nH]2)C(C)C)cc1 ZINC000657293919 1120427401 /nfs/dbraw/zinc/42/74/01/1120427401.db2.gz XHMVDKLZYRJVGZ-KRWDZBQOSA-N 0 1 271.408 3.767 20 0 CHADMN CC1(C)Cc2occc2[C@H](NCc2cnc3n2CCCC3)C1 ZINC000367439279 1120430688 /nfs/dbraw/zinc/43/06/88/1120430688.db2.gz SRZTUIMFPZCEKX-OAHLLOKOSA-N 0 1 299.418 3.616 20 0 CHADMN CC1(Cc2noc(-c3cc(-c4ccoc4)n[nH]3)n2)CCCC1 ZINC000584749222 1120430757 /nfs/dbraw/zinc/43/07/57/1120430757.db2.gz ZVMYQLHSYZYPDF-UHFFFAOYSA-N 0 1 298.346 3.843 20 0 CHADMN Cc1nnc([C@@H](C)N[C@H](C)[C@@H]2C[C@H]2c2cccs2)s1 ZINC000417348173 1120431168 /nfs/dbraw/zinc/43/11/68/1120431168.db2.gz XQPKFCORVVYVRJ-PKZYVASSSA-N 0 1 293.461 3.751 20 0 CHADMN C[C@H](c1ncccn1)[N@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000930819333 1120432296 /nfs/dbraw/zinc/43/22/96/1120432296.db2.gz DPWGOERHMYYBKD-RBSFLKMASA-N 0 1 273.424 3.686 20 0 CHADMN Oc1ccc2c(c1)[C@H](N[C@H]1COCc3ccccc31)CCC2 ZINC000417355803 1120434810 /nfs/dbraw/zinc/43/48/10/1120434810.db2.gz DWVNGGJPQQFSIZ-MOPGFXCFSA-N 0 1 295.382 3.631 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](C)c2c(F)cccc2Cl)n[nH]1 ZINC000660199959 1120435637 /nfs/dbraw/zinc/43/56/37/1120435637.db2.gz DYIMBLBWBUIWBA-DTWKUNHWSA-N 0 1 296.777 3.571 20 0 CHADMN C[C@@H]1Cc2ccc(F)cc2[C@@H]1N[C@@H]1COCc2ccccc21 ZINC000417360444 1120436827 /nfs/dbraw/zinc/43/68/27/1120436827.db2.gz JTPWMZRPHPKOGJ-QQGDVQBRSA-N 0 1 297.373 3.920 20 0 CHADMN COc1cc(CN[C@H](c2ccccc2C)C(C)(C)C)on1 ZINC000660200709 1120437662 /nfs/dbraw/zinc/43/76/62/1120437662.db2.gz TUGMJKCORVRDAR-MRXNPFEDSA-N 0 1 288.391 3.869 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(C2CC2)cc1)c1cnccn1 ZINC000417351868 1120437929 /nfs/dbraw/zinc/43/79/29/1120437929.db2.gz DQGAYAJRZXELBS-QWHCGFSZSA-N 0 1 267.376 3.766 20 0 CHADMN c1ccc(CN(Cc2ccccn2)C2CCCCC2)nc1 ZINC000169561669 1120438850 /nfs/dbraw/zinc/43/88/50/1120438850.db2.gz QVWKVCWYCIUJKP-UHFFFAOYSA-N 0 1 281.403 3.812 20 0 CHADMN C[C@H](N[C@H]1COCc2ccccc21)c1ccc2c(c1)COC2 ZINC000417366135 1120438929 /nfs/dbraw/zinc/43/89/29/1120438929.db2.gz ONYGFCOSZFIIRT-DJJJIMSYSA-N 0 1 295.382 3.639 20 0 CHADMN C[C@H](N(C)Cc1nc(C2CC2)cs1)C(C)(C)C ZINC000543131586 1120439042 /nfs/dbraw/zinc/43/90/42/1120439042.db2.gz QRDFLVHMWVMHNX-JTQLQIEISA-N 0 1 252.427 3.887 20 0 CHADMN CC(C)[C@H](N[C@H]1COCc2ccccc21)c1cccnc1 ZINC000417371353 1120440005 /nfs/dbraw/zinc/44/00/05/1120440005.db2.gz VJFLEYSYDCJOQI-ROUUACIJSA-N 0 1 282.387 3.640 20 0 CHADMN CO[C@H](CN[C@@H](C)c1csc(C(C)C)n1)CC(C)C ZINC000417380324 1120441153 /nfs/dbraw/zinc/44/11/53/1120441153.db2.gz UTMDWRKWZGTHHN-STQMWFEESA-N 0 1 284.469 3.978 20 0 CHADMN CN(Cc1nc(-c2ccccc2)no1)C[C@H]1CC=CCC1 ZINC000543178266 1120452524 /nfs/dbraw/zinc/45/25/24/1120452524.db2.gz OVRYZSGEYQOHQV-AWEZNQCLSA-N 0 1 283.375 3.525 20 0 CHADMN Cc1ccc(C)c(NC(=O)C[N@@H+]2C[C@@H](C)CC(C)(C)C2)c1 ZINC000543181051 1120454489 /nfs/dbraw/zinc/45/44/89/1120454489.db2.gz ILDAJGZORYBMBC-AWEZNQCLSA-N 0 1 288.435 3.610 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN2C[C@@H](C)CC(C)(C)C2)c1 ZINC000543181051 1120454491 /nfs/dbraw/zinc/45/44/91/1120454491.db2.gz ILDAJGZORYBMBC-AWEZNQCLSA-N 0 1 288.435 3.610 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CC(C)(C)CCC2(C)C)[nH]1 ZINC000628533387 1120454578 /nfs/dbraw/zinc/45/45/78/1120454578.db2.gz ADLFPRNVAAEPTJ-UHFFFAOYSA-N 0 1 299.418 3.912 20 0 CHADMN C/C=C\c1ccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000673352784 1120456274 /nfs/dbraw/zinc/45/62/74/1120456274.db2.gz HGHGFALRTLOUJD-CTGSTSKSSA-N 0 1 281.359 3.501 20 0 CHADMN COCC[C@@H]1CCCC[N@@H+](Cc2csc(C(C)C)n2)C1 ZINC000364160310 1120461704 /nfs/dbraw/zinc/46/17/04/1120461704.db2.gz OBEKNNJVWGYDRI-AWEZNQCLSA-N 0 1 296.480 3.905 20 0 CHADMN COCC[C@@H]1CCCCN(Cc2csc(C(C)C)n2)C1 ZINC000364160310 1120461707 /nfs/dbraw/zinc/46/17/07/1120461707.db2.gz OBEKNNJVWGYDRI-AWEZNQCLSA-N 0 1 296.480 3.905 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N(CC1CC1)C1CCCCC1 ZINC000068159234 1120466215 /nfs/dbraw/zinc/46/62/15/1120466215.db2.gz RMIHTBPUZCLBMC-UHFFFAOYSA-N 0 1 297.402 3.748 20 0 CHADMN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(O)c(Cl)c1 ZINC000019838813 1120471647 /nfs/dbraw/zinc/47/16/47/1120471647.db2.gz CQSLXCJXVYJLQR-SNVBAGLBSA-N 0 1 287.746 3.637 20 0 CHADMN CC[C@@H]1C[C@H]1CN[C@@H](Cc1ccccc1)c1ncco1 ZINC000930895083 1120472212 /nfs/dbraw/zinc/47/22/12/1120472212.db2.gz RDXDDKCYGPYTIB-PMPSAXMXSA-N 0 1 270.376 3.594 20 0 CHADMN CCn1cncc1CN([C@H](C)c1ccccc1)C1CC1 ZINC000417701681 1120474685 /nfs/dbraw/zinc/47/46/85/1120474685.db2.gz MVGILGICQAWDMS-CQSZACIVSA-N 0 1 269.392 3.629 20 0 CHADMN CC[C@H]1C[C@H](C)CN1Cc1csc(C(C)C)n1 ZINC000080660882 1120474696 /nfs/dbraw/zinc/47/46/96/1120474696.db2.gz OBKHTDDCJRLELY-AAEUAGOBSA-N 0 1 252.427 3.887 20 0 CHADMN Cc1cnc(Cl)c(CNCc2cc(C)cc(C)c2)c1 ZINC000922243346 1120482269 /nfs/dbraw/zinc/48/22/69/1120482269.db2.gz WJZKBNXJABNEID-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN Fc1ccc([C@H]2CCN2CCSc2ccncc2)cc1 ZINC000930968395 1120490453 /nfs/dbraw/zinc/49/04/53/1120490453.db2.gz BHDOPLYVUNWZPS-MRXNPFEDSA-N 0 1 288.391 3.760 20 0 CHADMN CC(C)c1nc(CN(CC2CC2)C2CCCCC2)no1 ZINC000069078899 1120492116 /nfs/dbraw/zinc/49/21/16/1120492116.db2.gz KSZATPVWXVJRGF-UHFFFAOYSA-N 0 1 277.412 3.738 20 0 CHADMN Cc1cncc([C@@H](C)N[C@@H]2CCCc3cnn(C(C)C)c32)c1 ZINC000364174873 1120495481 /nfs/dbraw/zinc/49/54/81/1120495481.db2.gz MSORBBAUWSJANA-RHSMWYFYSA-N 0 1 298.434 3.896 20 0 CHADMN F[C@H]1CCCCN([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168720439 1120498775 /nfs/dbraw/zinc/49/87/75/1120498775.db2.gz JDDVRNHBEAFAMF-QWHCGFSZSA-N 0 1 267.775 3.631 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccc3c(c2)C[C@H](C)O3)s1 ZINC000922305366 1120503485 /nfs/dbraw/zinc/50/34/85/1120503485.db2.gz FZVCDNGSPJENIB-QWRGUYRKSA-N 0 1 288.416 3.626 20 0 CHADMN CC(C)c1cnc(CN2CC[C@@H](C(C)C)C2)s1 ZINC000543394525 1120507937 /nfs/dbraw/zinc/50/79/37/1120507937.db2.gz LZNBBDVTSOFRCH-GFCCVEGCSA-N 0 1 252.427 3.744 20 0 CHADMN [O-]c1cccc2c(N3CCC[C@H](C4CC4)C3)cc[nH+]c12 ZINC000673494157 1120508658 /nfs/dbraw/zinc/50/86/58/1120508658.db2.gz CHOBIICEYPJWNU-ZDUSSCGKSA-N 0 1 268.360 3.567 20 0 CHADMN C[C@H](NCc1ccnn1C1CCC1)c1cc2cnccc2o1 ZINC000922319783 1120511948 /nfs/dbraw/zinc/51/19/48/1120511948.db2.gz BWHUZQHNASYZDK-LBPRGKRZSA-N 0 1 296.374 3.600 20 0 CHADMN CCN(c1ccc(N[C@@H]2CO[C@@H](C)C2)cc1)C(C)C ZINC000842672712 1128921324 /nfs/dbraw/zinc/92/13/24/1128921324.db2.gz ZOQBZHDCFHVTCZ-ZFWWWQNUSA-N 0 1 262.397 3.511 20 0 CHADMN C[C@H](NCc1cccc(CO)c1)c1csc(Cl)c1 ZINC000191270117 1120518744 /nfs/dbraw/zinc/51/87/44/1120518744.db2.gz SWPPGINLDZLNJS-JTQLQIEISA-N 0 1 281.808 3.745 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H](C)Cc2ccc(C(C)C)cc2)c1C ZINC000500151174 1120522181 /nfs/dbraw/zinc/52/21/81/1120522181.db2.gz TXVPOGXVQZGKIC-GFCCVEGCSA-N 0 1 299.418 3.511 20 0 CHADMN C[C@@H](CC(F)(F)F)NCc1nc2ccc(F)cc2s1 ZINC000428855393 1120539921 /nfs/dbraw/zinc/53/99/21/1120539921.db2.gz IFASSIRIBIUVQR-ZETCQYMHSA-N 0 1 292.301 3.866 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1ccccc1F ZINC000282361832 1120546972 /nfs/dbraw/zinc/54/69/72/1120546972.db2.gz HSWBHFVNKAGRHK-HZPDHXFCSA-N 0 1 287.382 3.678 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CC[C@]2(CC2(F)F)C1 ZINC000651488177 1120547111 /nfs/dbraw/zinc/54/71/11/1120547111.db2.gz QTDWOMOPYFLKDT-AWEZNQCLSA-N 0 1 278.277 3.609 20 0 CHADMN CCC[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347722855 1120549137 /nfs/dbraw/zinc/54/91/37/1120549137.db2.gz SCJBHYAUOLCIRI-ZDUSSCGKSA-N 0 1 263.772 3.763 20 0 CHADMN CCCN1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347722855 1120549149 /nfs/dbraw/zinc/54/91/49/1120549149.db2.gz SCJBHYAUOLCIRI-ZDUSSCGKSA-N 0 1 263.772 3.763 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccccc2F)cc1 ZINC000019950052 1120550555 /nfs/dbraw/zinc/55/05/55/1120550555.db2.gz SVUOZWFWEKXOCR-GFCCVEGCSA-N 0 1 259.324 3.685 20 0 CHADMN C[C@H](NCc1ccccn1)c1cccc(C(F)(F)F)c1 ZINC000019957462 1120551269 /nfs/dbraw/zinc/55/12/69/1120551269.db2.gz RWJRBKSGBREBHE-NSHDSACASA-N 0 1 280.293 3.951 20 0 CHADMN CC(C)c1nnc(CN[C@@H]2C[C@@H]2C2CCCCC2)s1 ZINC000893356209 1120573580 /nfs/dbraw/zinc/57/35/80/1120573580.db2.gz KTNDXNALIMMVFN-CHWSQXEVSA-N 0 1 279.453 3.720 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1ccc2c(n1)CCC2 ZINC000922667884 1120574916 /nfs/dbraw/zinc/57/49/16/1120574916.db2.gz UHJMQEODMHZYRY-CYBMUJFWSA-N 0 1 284.378 3.869 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1nc2ccccc2n1C ZINC000922665629 1120575167 /nfs/dbraw/zinc/57/51/67/1120575167.db2.gz QODNORKDERISQB-CYBMUJFWSA-N 0 1 297.377 3.872 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)[C@H](C)c1cnc(C)cn1 ZINC000428941272 1120577808 /nfs/dbraw/zinc/57/78/08/1120577808.db2.gz ICEARKRYLUOBFZ-SCOADAFUSA-N 0 1 281.403 3.881 20 0 CHADMN Cc1noc(C)c1CNCc1ccc(C)c(Cl)c1 ZINC000193736587 1120580091 /nfs/dbraw/zinc/58/00/91/1120580091.db2.gz CTYSPRQVDMNXJL-UHFFFAOYSA-N 0 1 264.756 3.543 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000428944725 1120581744 /nfs/dbraw/zinc/58/17/44/1120581744.db2.gz UZZVBPYBRZXLQK-QWRGUYRKSA-N 0 1 290.329 3.879 20 0 CHADMN CCc1cc(CN[C@H](C)c2cc(C)sc2C)[nH]n1 ZINC000765996395 1120582401 /nfs/dbraw/zinc/58/24/01/1120582401.db2.gz ZVWQMPIIJOXTNM-SNVBAGLBSA-N 0 1 263.410 3.501 20 0 CHADMN CCCCN(CC(=O)Nc1cc(Cl)ccc1F)C1CC1 ZINC000642189395 1120583028 /nfs/dbraw/zinc/58/30/28/1120583028.db2.gz IETTZCODSRABBN-UHFFFAOYSA-N 0 1 298.789 3.682 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H](C)c1ccncc1 ZINC000020096766 1120583989 /nfs/dbraw/zinc/58/39/89/1120583989.db2.gz LEEJEXADIKSKLW-STQMWFEESA-N 0 1 256.349 3.502 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@@H](C)c1ccncc1 ZINC000020096764 1120584385 /nfs/dbraw/zinc/58/43/85/1120584385.db2.gz LEEJEXADIKSKLW-QWHCGFSZSA-N 0 1 256.349 3.502 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccc(F)cc2)c1OC ZINC000020095803 1120584590 /nfs/dbraw/zinc/58/45/90/1120584590.db2.gz NZCGKAPZCHJBKT-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN CCCCO[C@H]1C[C@@H](N(C)Cc2conc2CC)C1(C)C ZINC000509008992 1120587718 /nfs/dbraw/zinc/58/77/18/1120587718.db2.gz VKDJMSANCDNOAW-CVEARBPZSA-N 0 1 294.439 3.653 20 0 CHADMN CCCCO[C@H]1C[C@H](N(C)Cc2conc2CC)C1(C)C ZINC000509008993 1120587910 /nfs/dbraw/zinc/58/79/10/1120587910.db2.gz VKDJMSANCDNOAW-HOTGVXAUSA-N 0 1 294.439 3.653 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@H](C)c1cnn(C2CCC2)c1 ZINC000925686117 1120588104 /nfs/dbraw/zinc/58/81/04/1120588104.db2.gz RUVWHYZONCYEQC-KGLIPLIRSA-N 0 1 298.434 3.977 20 0 CHADMN C[C@H]1Oc2cc(F)ccc2[C@@H]1NCc1cccc2cc[nH]c21 ZINC000673614928 1120597047 /nfs/dbraw/zinc/59/70/47/1120597047.db2.gz NKGHGPYSVVQBSQ-PIGZYNQJSA-N 0 1 296.345 3.919 20 0 CHADMN CC(C)CCc1ccc(NC(=O)CN2CC[C@H](C)C2)cc1 ZINC001626085158 1120598229 /nfs/dbraw/zinc/59/82/29/1120598229.db2.gz ARRDJWKNHXUKSM-HNNXBMFYSA-N 0 1 288.435 3.556 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H](c3ccccc3)C[C@@H]2C)n[nH]1 ZINC000428984948 1120599973 /nfs/dbraw/zinc/59/99/73/1120599973.db2.gz JBHRPQOQAPLXJA-GOEBONIOSA-N 0 1 298.434 3.696 20 0 CHADMN C[C@H](CN[C@@H]1CCCC1(F)F)c1ccc(F)cc1 ZINC000673618476 1120601187 /nfs/dbraw/zinc/60/11/87/1120601187.db2.gz IXMYWEZXJFNSKM-ZWNOBZJWSA-N 0 1 257.299 3.707 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](c2ccccc2C)C2CC2)nn1C ZINC000282385928 1120604430 /nfs/dbraw/zinc/60/44/30/1120604430.db2.gz XFMDANIUDQVUMY-KBXCAEBGSA-N 0 1 283.419 3.839 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3cccnc32)cnc1Cl ZINC000922878234 1120616051 /nfs/dbraw/zinc/61/60/51/1120616051.db2.gz YZJDKCHLHCIJFO-CQSZACIVSA-N 0 1 287.794 3.606 20 0 CHADMN CC[C@@H](C)n1cc(-c2ccc(CN(C)C)c(F)c2)cn1 ZINC000629709261 1128928662 /nfs/dbraw/zinc/92/86/62/1128928662.db2.gz RJFCBHLEVVBEIF-GFCCVEGCSA-N 0 1 275.371 3.722 20 0 CHADMN Fc1cccc(F)c1CN1CCC(C2CCOCC2)CC1 ZINC000093705187 1120624830 /nfs/dbraw/zinc/62/48/30/1120624830.db2.gz BNKNXZPZUICZOK-UHFFFAOYSA-N 0 1 295.373 3.603 20 0 CHADMN Cc1ccc2ncc(CN3CC4C[C@@H]5CC3C[C@H](C4)C5)n2c1 ZINC000511667960 1120626013 /nfs/dbraw/zinc/62/60/13/1120626013.db2.gz QOKQQQBYYBXMLQ-RYTJFDOTSA-N 0 1 295.430 3.653 20 0 CHADMN C[C@H](c1cccc(O)c1)N(C)Cc1cccc(F)c1 ZINC000109785213 1120629356 /nfs/dbraw/zinc/62/93/56/1120629356.db2.gz QUEQDNHZUCEGRN-GFCCVEGCSA-N 0 1 259.324 3.724 20 0 CHADMN Fc1ccc2oc(Nc3cccc(N4CCCC4)c3)nc2c1 ZINC000511726436 1120629583 /nfs/dbraw/zinc/62/95/83/1120629583.db2.gz ZGAQTQDJIJZFRD-UHFFFAOYSA-N 0 1 297.333 3.733 20 0 CHADMN FC(F)c1ccc(CN[C@H]2CCCc3cccnc32)cn1 ZINC000922885712 1120629629 /nfs/dbraw/zinc/62/96/29/1120629629.db2.gz VMWQKULKKRMSJE-ZDUSSCGKSA-N 0 1 289.329 3.581 20 0 CHADMN C[C@@H]1CCC[C@@H](N(C)Cc2ccncc2Br)C1 ZINC000625082715 1120631343 /nfs/dbraw/zinc/63/13/43/1120631343.db2.gz COKGJQNQBYJPPA-DGCLKSJQSA-N 0 1 297.240 3.855 20 0 CHADMN CCOc1ccc(C[N@@H+](C)Cc2ccc(CC)cn2)cc1 ZINC000338895358 1120632193 /nfs/dbraw/zinc/63/21/93/1120632193.db2.gz PPKJUDISWWPNGD-UHFFFAOYSA-N 0 1 284.403 3.675 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc(CC)cn2)cc1 ZINC000338895358 1120632197 /nfs/dbraw/zinc/63/21/97/1120632197.db2.gz PPKJUDISWWPNGD-UHFFFAOYSA-N 0 1 284.403 3.675 20 0 CHADMN COc1ccc([C@H](NCc2ocnc2C)C2CCC2)cc1 ZINC000922887640 1120634582 /nfs/dbraw/zinc/63/45/82/1120634582.db2.gz PRAVSZOBPZBUFN-QGZVFWFLSA-N 0 1 286.375 3.623 20 0 CHADMN c1c(CN2CCC=C(c3ccccc3)C2)onc1C1CC1 ZINC000660497658 1120641413 /nfs/dbraw/zinc/64/14/13/1120641413.db2.gz ZELIQWVWTPAKKP-UHFFFAOYSA-N 0 1 280.371 3.841 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N(C)C2CCCCC2)o1 ZINC000047220190 1120642747 /nfs/dbraw/zinc/64/27/47/1120642747.db2.gz OJFHECVHJBDWNO-UHFFFAOYSA-N 0 1 292.423 3.526 20 0 CHADMN CCCc1cc(=O)n(-c2nc3ccc(Cl)cc3s2)[nH]1 ZINC000634595958 1128930488 /nfs/dbraw/zinc/93/04/88/1128930488.db2.gz RTVFXNJMBOVYMD-UHFFFAOYSA-N 0 1 293.779 3.843 20 0 CHADMN COc1cc(CN2C[C@H](C)CC[C@H]2c2ccccc2)on1 ZINC000660538368 1120652712 /nfs/dbraw/zinc/65/27/12/1120652712.db2.gz GKMSGBWUGUXWDT-CJNGLKHVSA-N 0 1 286.375 3.656 20 0 CHADMN CCc1ccc([C@@H]2CCCN(Cc3coc(C)n3)C2)cc1 ZINC000660545130 1120654390 /nfs/dbraw/zinc/65/43/90/1120654390.db2.gz CZCVPPIWKHZWIJ-QGZVFWFLSA-N 0 1 284.403 3.925 20 0 CHADMN Cc1nc(CN2C[C@H](C)CC[C@H]2c2ccccc2)co1 ZINC000660538750 1120654717 /nfs/dbraw/zinc/65/47/17/1120654717.db2.gz IDQLEUIOCSUIGD-DYVFJYSZSA-N 0 1 270.376 3.956 20 0 CHADMN CC[C@@H]1CC[C@H](C)N(Cc2cnc(Cl)s2)C1 ZINC000312928793 1120660881 /nfs/dbraw/zinc/66/08/81/1120660881.db2.gz ZEANPWGLWVYHLO-VHSXEESVSA-N 0 1 258.818 3.807 20 0 CHADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1ccc(C)c(C)c1 ZINC000673731069 1120665919 /nfs/dbraw/zinc/66/59/19/1120665919.db2.gz NVCGPRRNYCDISQ-UHFFFAOYSA-N 0 1 297.280 3.606 20 0 CHADMN CN(C)Cc1cc(-c2nc(C3CC3)cs2)ccc1F ZINC000629739101 1128931917 /nfs/dbraw/zinc/93/19/17/1128931917.db2.gz WHRCRQLJSLDPAD-UHFFFAOYSA-N 0 1 276.380 3.888 20 0 CHADMN Clc1cnccc1CN1CCC[C@H](c2ccccn2)C1 ZINC000660627805 1120670423 /nfs/dbraw/zinc/67/04/23/1120670423.db2.gz XODKSJPXOAQLEM-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN C[C@@H]1CC2(CCC2)CN1Cc1ccncc1Br ZINC000625372236 1120674195 /nfs/dbraw/zinc/67/41/95/1120674195.db2.gz YLQBWQRMTHOWEA-LLVKDONJSA-N 0 1 295.224 3.609 20 0 CHADMN FC(F)(F)c1ncccc1CN1CCC[C@@H](C2CC2)C1 ZINC000625432012 1120678732 /nfs/dbraw/zinc/67/87/32/1120678732.db2.gz MBFOYANACLSFQG-GFCCVEGCSA-N 0 1 284.325 3.722 20 0 CHADMN CC(C)(C)c1cc(CN(C2CCC2)C2CCC2)no1 ZINC000429154494 1120682888 /nfs/dbraw/zinc/68/28/88/1120682888.db2.gz KYNIKAYUKQDLCK-UHFFFAOYSA-N 0 1 262.397 3.879 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@@H](C)N2C[C@@H]3CCCC[C@@H]32)c1 ZINC000660927830 1120703986 /nfs/dbraw/zinc/70/39/86/1120703986.db2.gz GPNVFLDUYFHUOL-VYDXJSESSA-N 0 1 286.419 3.505 20 0 CHADMN C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)Cc1cnc[nH]1 ZINC000661086563 1120715039 /nfs/dbraw/zinc/71/50/39/1120715039.db2.gz CMOAEOPIBWYBMW-ZDUSSCGKSA-N 0 1 271.408 3.900 20 0 CHADMN COC[C@@H](CC(C)(C)C)N[C@H](C)c1csc(C)n1 ZINC000651702004 1120715502 /nfs/dbraw/zinc/71/55/02/1120715502.db2.gz HMTUJNKRAAKQQS-ZYHUDNBSSA-N 0 1 270.442 3.553 20 0 CHADMN CC[C@@H](C)N(CC)Cc1csc(-c2ccccn2)n1 ZINC000661105239 1120719025 /nfs/dbraw/zinc/71/90/25/1120719025.db2.gz DWKMCQOFLIZGDL-GFCCVEGCSA-N 0 1 275.421 3.826 20 0 CHADMN CCCc1noc(CN[C@H]2CCCC23CCCCC3)n1 ZINC000661127668 1120724131 /nfs/dbraw/zinc/72/41/31/1120724131.db2.gz FTKTZALOZOGYRE-ZDUSSCGKSA-N 0 1 277.412 3.615 20 0 CHADMN Cc1cccc(C)c1[C@@H]1CCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000661135720 1120724309 /nfs/dbraw/zinc/72/43/09/1120724309.db2.gz FTXNBYYSIGTYLL-SFHVURJKSA-N 0 1 295.430 3.783 20 0 CHADMN Cc1cccc(C)c1[C@@H]1CCCN1Cc1cc2n(n1)CCC2 ZINC000661135720 1120724314 /nfs/dbraw/zinc/72/43/14/1120724314.db2.gz FTXNBYYSIGTYLL-SFHVURJKSA-N 0 1 295.430 3.783 20 0 CHADMN CCCc1noc(CN[C@@H]2CCCC23CCCCC3)n1 ZINC000661127667 1120724559 /nfs/dbraw/zinc/72/45/59/1120724559.db2.gz FTKTZALOZOGYRE-CYBMUJFWSA-N 0 1 277.412 3.615 20 0 CHADMN CC(C)c1cc(C(=O)N(C)Cc2ccc(C(C)C)cc2)n[nH]1 ZINC000044888210 1120737144 /nfs/dbraw/zinc/73/71/44/1120737144.db2.gz GOIRHJYNBCUPEO-UHFFFAOYSA-N 0 1 299.418 3.929 20 0 CHADMN CCCN(Cc1cnc(C2CC2)s1)C[C@@H]1CCCCO1 ZINC000093132512 1128937020 /nfs/dbraw/zinc/93/70/20/1128937020.db2.gz WKUSLGFFLIWBED-AWEZNQCLSA-N 0 1 294.464 3.802 20 0 CHADMN CCSc1cc(CNCc2cc3cnccc3o2)ccn1 ZINC000651767983 1120741011 /nfs/dbraw/zinc/74/10/11/1120741011.db2.gz SUVTWVWCKVXUTF-UHFFFAOYSA-N 0 1 299.399 3.625 20 0 CHADMN CCc1nnc([C@H](C)N2CCCC3(CCCC3)CC2)o1 ZINC000661226870 1120741305 /nfs/dbraw/zinc/74/13/05/1120741305.db2.gz DOTYUUOCVUXVIQ-ZDUSSCGKSA-N 0 1 277.412 3.739 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1nnc(-c2ccc(C)cc2)o1 ZINC000661233722 1120742421 /nfs/dbraw/zinc/74/24/21/1120742421.db2.gz IACYUUGEBYIWHS-ZDUSSCGKSA-N 0 1 287.407 3.959 20 0 CHADMN Cc1cccc2c1CN(Cc1cc3cnccc3o1)CC2 ZINC000651786045 1120745617 /nfs/dbraw/zinc/74/56/17/1120745617.db2.gz HXMGMXRZFWVWFU-UHFFFAOYSA-N 0 1 278.355 3.695 20 0 CHADMN CC(C)c1ncc(CN(C)Cc2cccc3c2CCC3)cn1 ZINC000651793819 1120746921 /nfs/dbraw/zinc/74/69/21/1120746921.db2.gz MWFKPHGTLUJNRZ-UHFFFAOYSA-N 0 1 295.430 3.721 20 0 CHADMN c1c2cnccc2oc1CN1CCC[C@H]1c1ccncc1 ZINC000651807885 1120750784 /nfs/dbraw/zinc/75/07/84/1120750784.db2.gz WYYQEWAJBKNDKP-INIZCTEOSA-N 0 1 279.343 3.560 20 0 CHADMN CCC1(c2ccccc2)CN(Cc2cc3cnccc3o2)C1 ZINC000651829421 1120757328 /nfs/dbraw/zinc/75/73/28/1120757328.db2.gz BBAKSSAODPFNCK-UHFFFAOYSA-N 0 1 292.382 3.991 20 0 CHADMN Cc1nc(C)c(CN2CCc3ccc(C)cc3C2)s1 ZINC000661371776 1120758706 /nfs/dbraw/zinc/75/87/06/1120758706.db2.gz QCUGPBODYGAQSF-UHFFFAOYSA-N 0 1 272.417 3.627 20 0 CHADMN C[C@@H](CCN[C@@H](C)c1cscn1)OCc1ccccc1 ZINC000661418073 1120763579 /nfs/dbraw/zinc/76/35/79/1120763579.db2.gz IOAMVYMNTQJUIX-KBPBESRZSA-N 0 1 290.432 3.789 20 0 CHADMN Cc1noc(C)c1CNCc1cccc2ccsc21 ZINC000651862630 1120765112 /nfs/dbraw/zinc/76/51/12/1120765112.db2.gz ALPQVDGBQOTXEM-UHFFFAOYSA-N 0 1 272.373 3.796 20 0 CHADMN c1coc([C@H]2N(C[C@H]3CCCCO3)CC23CCCC3)c1 ZINC000661446798 1120767435 /nfs/dbraw/zinc/76/74/35/1120767435.db2.gz RCTQESCQCCEHPO-GDBMZVCRSA-N 0 1 275.392 3.766 20 0 CHADMN C(c1nc2c(s1)CCCC2)N1CCC12CCCC2 ZINC000651873798 1120767795 /nfs/dbraw/zinc/76/77/95/1120767795.db2.gz WMDGJCPKWZDRBO-UHFFFAOYSA-N 0 1 262.422 3.540 20 0 CHADMN Cc1noc(C)c1CN[C@H](c1ccccc1F)C(C)C ZINC000661482745 1120769938 /nfs/dbraw/zinc/76/99/38/1120769938.db2.gz CHBVPSQUUINKNZ-INIZCTEOSA-N 0 1 276.355 3.917 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](c2ccccc2F)C(C)C)n[nH]1 ZINC000661485020 1120770257 /nfs/dbraw/zinc/77/02/57/1120770257.db2.gz NYMYUNVILMFBDJ-IAQYHMDHSA-N 0 1 290.386 3.554 20 0 CHADMN CC1(C)CC[C@H](CN2CC[C@@H]2c2ccc(F)cc2)O1 ZINC000661513258 1120773444 /nfs/dbraw/zinc/77/34/44/1120773444.db2.gz NHHJKXAUIDGCKE-HUUCEWRRSA-N 0 1 263.356 3.530 20 0 CHADMN C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1C)c1nc(C(C)(C)C)no1 ZINC000661520002 1120774104 /nfs/dbraw/zinc/77/41/04/1120774104.db2.gz FLISOIAEDPCNLO-SLEUVZQESA-N 0 1 299.418 3.746 20 0 CHADMN CCc1nc[nH]c1C(=O)N(CC(C)C)c1ccc(C)cc1 ZINC000909367228 1120780793 /nfs/dbraw/zinc/78/07/93/1120780793.db2.gz IUKRIXJYYRBOSE-UHFFFAOYSA-N 0 1 285.391 3.583 20 0 CHADMN Cc1c(Cl)ccc(CN2CC[C@H]([C@H](C)O)C2)c1Cl ZINC000893471570 1120784751 /nfs/dbraw/zinc/78/47/51/1120784751.db2.gz DGIPTMZBVHHDKN-QWRGUYRKSA-N 0 1 288.218 3.505 20 0 CHADMN CC[C@H](NCc1ccnn1CC(C)C)c1ccccc1F ZINC000651934051 1120784842 /nfs/dbraw/zinc/78/48/42/1120784842.db2.gz VDMSZLSWRIZEPX-KRWDZBQOSA-N 0 1 289.398 3.919 20 0 CHADMN Cc1c(Cl)ccc(CN2CC[C@@H]([C@@H](C)O)C2)c1Cl ZINC000893471568 1120784886 /nfs/dbraw/zinc/78/48/86/1120784886.db2.gz DGIPTMZBVHHDKN-GHMZBOCLSA-N 0 1 288.218 3.505 20 0 CHADMN CCCCN(Cc1nc(-c2ccccc2C)no1)C1CC1 ZINC000046092948 1120787272 /nfs/dbraw/zinc/78/72/72/1120787272.db2.gz CJVILKUYXPCYBD-UHFFFAOYSA-N 0 1 285.391 3.810 20 0 CHADMN CC(=O)c1cc(CN2CCC(C)(C)CC(C)(C)C2)on1 ZINC000661625762 1120787876 /nfs/dbraw/zinc/78/78/76/1120787876.db2.gz GNCGLEFGOCAVLW-UHFFFAOYSA-N 0 1 278.396 3.525 20 0 CHADMN C/C(=C\c1ccccc1)CN[C@H]1COc2ccc(F)cc21 ZINC000500435670 1120805010 /nfs/dbraw/zinc/80/50/10/1120805010.db2.gz XXIMBPMKAQAGHV-VEMDQMBVSA-N 0 1 283.346 3.952 20 0 CHADMN CC[C@H](NC(=O)c1n[nH]c2ccccc21)C1CCCCC1 ZINC000111820759 1120805561 /nfs/dbraw/zinc/80/55/61/1120805561.db2.gz FRXSLHHLQJOPHR-AWEZNQCLSA-N 0 1 285.391 3.652 20 0 CHADMN Cc1ccc(C2CCN(Cc3cnc(F)c(C)c3)CC2)cn1 ZINC000893510057 1120813311 /nfs/dbraw/zinc/81/33/11/1120813311.db2.gz FMCGAFBSUGVETD-UHFFFAOYSA-N 0 1 299.393 3.612 20 0 CHADMN CCCC[C@H](CC)CCCN(C)C(=O)c1ccc(CN)o1 ZINC000663001409 1120814405 /nfs/dbraw/zinc/81/44/05/1120814405.db2.gz TUEVQGWEPYDDLV-AWEZNQCLSA-N 0 1 294.439 3.807 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661873239 1120831189 /nfs/dbraw/zinc/83/11/89/1120831189.db2.gz DNWRIJUKZQWQGF-SUMWQHHRSA-N 0 1 295.373 3.746 20 0 CHADMN Fc1ccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c(F)c1 ZINC000661878758 1120831535 /nfs/dbraw/zinc/83/15/35/1120831535.db2.gz QZPNKKUXKRRXMT-YOEHRIQHSA-N 0 1 295.373 3.746 20 0 CHADMN CC(C)c1ccc(Cc2nc(=O)c3sccc3[nH]2)cc1 ZINC000048606365 1120835350 /nfs/dbraw/zinc/83/53/50/1120835350.db2.gz SFHNVOQHCLJJOM-UHFFFAOYSA-N 0 1 284.384 3.699 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2cccnc2)c2c(n1)CCCC2 ZINC000893539657 1120848662 /nfs/dbraw/zinc/84/86/62/1120848662.db2.gz LDHAPFRPVOKJDV-OAHLLOKOSA-N 0 1 295.430 3.857 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000652396423 1120851610 /nfs/dbraw/zinc/85/16/10/1120851610.db2.gz ZVPJDYLXNODCMZ-QMTHXVAHSA-N 0 1 299.773 3.727 20 0 CHADMN Cc1ccccc1[C@H](C(=O)[O-])[N@@H+](C)CCCc1ccccc1 ZINC000652390655 1120851724 /nfs/dbraw/zinc/85/17/24/1120851724.db2.gz ZBGJFCFPMZSDKV-GOSISDBHSA-N 0 1 297.398 3.685 20 0 CHADMN C[C@@H](NCc1nc(C2CCCC2)no1)C1CCC(F)CC1 ZINC000662000455 1120854950 /nfs/dbraw/zinc/85/49/50/1120854950.db2.gz GERQRGZTSIKFNS-LKSINWNRSA-N 0 1 295.402 3.734 20 0 CHADMN C[C@H](NCc1ncc(C2CC2)o1)C1CCC(F)CC1 ZINC000662001148 1120856151 /nfs/dbraw/zinc/85/61/51/1120856151.db2.gz LJRVISSGHWMDAD-ZBOXLXRLSA-N 0 1 266.360 3.558 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC000652409060 1120857147 /nfs/dbraw/zinc/85/71/47/1120857147.db2.gz BQZIIMRHYAZWIL-SWLSCSKDSA-N 0 1 289.400 3.609 20 0 CHADMN C[C@@H](c1cccnc1)N(C)Cc1ccc2c(c1)CCCO2 ZINC000893541838 1120857703 /nfs/dbraw/zinc/85/77/03/1120857703.db2.gz YZFJBPDWTHRBOZ-AWEZNQCLSA-N 0 1 282.387 3.600 20 0 CHADMN C[C@H](c1ccccc1F)N1CCC(c2ccon2)CC1 ZINC000662046464 1120863968 /nfs/dbraw/zinc/86/39/68/1120863968.db2.gz GETWXVGXIOMYKK-GFCCVEGCSA-N 0 1 274.339 3.754 20 0 CHADMN OC[C@H](NCC1=CCCC1)c1cccc(Cl)c1Cl ZINC000662051877 1120864756 /nfs/dbraw/zinc/86/47/56/1120864756.db2.gz OIUDJYBJKCGZEX-ZDUSSCGKSA-N 0 1 286.202 3.727 20 0 CHADMN C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3ccc(C(=O)[O-])cc3F)C2)C1 ZINC000652442965 1120864832 /nfs/dbraw/zinc/86/48/32/1120864832.db2.gz CRGPAIOAVAITMI-SJKOYZFVSA-N 0 1 291.366 3.536 20 0 CHADMN CC[N@@H+](CCCCCC(=O)[O-])[C@H](C)Cc1ccsc1 ZINC000652444666 1120865218 /nfs/dbraw/zinc/86/52/18/1120865218.db2.gz IPTABJQPKOZRIV-CYBMUJFWSA-N 0 1 283.437 3.646 20 0 CHADMN CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC000652451005 1120865788 /nfs/dbraw/zinc/86/57/88/1120865788.db2.gz NVZGIPNZABAYAV-GXTWGEPZSA-N 0 1 291.391 3.626 20 0 CHADMN CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC000652451008 1120865820 /nfs/dbraw/zinc/86/58/20/1120865820.db2.gz NVZGIPNZABAYAV-TZMCWYRMSA-N 0 1 291.391 3.626 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000652463483 1120866945 /nfs/dbraw/zinc/86/69/45/1120866945.db2.gz IGSZLXKREPXCET-INIZCTEOSA-N 0 1 297.398 3.977 20 0 CHADMN Cc1ccc(-c2noc(CNC3(CC(C)C)CC3)n2)cc1 ZINC000662069206 1120868274 /nfs/dbraw/zinc/86/82/74/1120868274.db2.gz DRVVFOWQMRZFQA-UHFFFAOYSA-N 0 1 285.391 3.713 20 0 CHADMN CC(C)CC1(NCc2nc3cc(F)ccc3o2)CC1 ZINC000662071298 1120869170 /nfs/dbraw/zinc/86/91/70/1120869170.db2.gz ZXCCUGZFLOIKMW-UHFFFAOYSA-N 0 1 262.328 3.635 20 0 CHADMN O=C([O-])c1cccc2c1C[N@H+]([C@H]1C=CCCCCC1)CC2 ZINC000652487807 1120872419 /nfs/dbraw/zinc/87/24/19/1120872419.db2.gz SMMVUUJEMNTIGH-HNNXBMFYSA-N 0 1 285.387 3.632 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc3c(c2)COC3)c(C)o1 ZINC000343888643 1120875727 /nfs/dbraw/zinc/87/57/27/1120875727.db2.gz DITJKNQIUPCWSU-LBPRGKRZSA-N 0 1 271.360 3.777 20 0 CHADMN C[C@H](c1ccccc1F)N(C)CCC(=O)OC(C)(C)C ZINC000055059136 1120876714 /nfs/dbraw/zinc/87/67/14/1120876714.db2.gz WBZUJZUNEURSEY-GFCCVEGCSA-N 0 1 281.371 3.550 20 0 CHADMN C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000248482957 1120878767 /nfs/dbraw/zinc/87/87/67/1120878767.db2.gz CKTUGWPFNKILLY-XZJROXQQSA-N 0 1 297.826 3.637 20 0 CHADMN C[C@@H](OCc1cnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC001222999793 1120878828 /nfs/dbraw/zinc/87/88/28/1120878828.db2.gz IDOZMVDYZGXDTN-SECBINFHSA-N 0 1 270.254 3.706 20 0 CHADMN CSc1ccc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000050925209 1120881182 /nfs/dbraw/zinc/88/11/82/1120881182.db2.gz JBGCBGOFKFHCAQ-CQSZACIVSA-N 0 1 293.432 3.628 20 0 CHADMN Cc1cc(OC(C)C)cc(C)c1COCc1cnc[nH]1 ZINC001223007123 1120884067 /nfs/dbraw/zinc/88/40/67/1120884067.db2.gz HCZYVBQDMIYNRM-UHFFFAOYSA-N 0 1 274.364 3.531 20 0 CHADMN CCCCC[C@H]1CCCCN1Cc1nnc(C)n1CCC ZINC000662157123 1120889198 /nfs/dbraw/zinc/88/91/98/1120889198.db2.gz TWQXYHVRVBKFCF-INIZCTEOSA-N 0 1 292.471 3.931 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N(CCC1CC1)CC1CC1 ZINC000662180887 1120891510 /nfs/dbraw/zinc/89/15/10/1120891510.db2.gz QRCSQHKIVSOGOO-GFCCVEGCSA-N 0 1 291.439 3.940 20 0 CHADMN Cc1cc2[nH]c(C3Cc4ccccc4C3)nc(=O)c2s1 ZINC000663218548 1120893258 /nfs/dbraw/zinc/89/32/58/1120893258.db2.gz GSSCHDNORILGOG-UHFFFAOYSA-N 0 1 282.368 3.588 20 0 CHADMN CN(Cc1ccncc1Cl)C[C@H]1CCc2ccccc21 ZINC000662198490 1120896607 /nfs/dbraw/zinc/89/66/07/1120896607.db2.gz SMOGSUGJMVOBMJ-CQSZACIVSA-N 0 1 286.806 3.897 20 0 CHADMN CC(C)n1ccnc1CN(C)C[C@H]1CCc2ccccc21 ZINC000662199160 1120896652 /nfs/dbraw/zinc/89/66/52/1120896652.db2.gz YXBDKLFERQQUKS-MRXNPFEDSA-N 0 1 283.419 3.626 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C2CCC(C3CC3)CC2)n1 ZINC000663251701 1120900647 /nfs/dbraw/zinc/90/06/47/1120900647.db2.gz UDTKXNZYGCKCHZ-JXQTWKCFSA-N 0 1 277.412 3.799 20 0 CHADMN Clc1ccccc1C=NNc1nc2ccccc2s1 ZINC000254430448 1120901474 /nfs/dbraw/zinc/90/14/74/1120901474.db2.gz VARDUVFBMGLZML-UHFFFAOYSA-N 0 1 287.775 3.818 20 0 CHADMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1csc2ccccc12 ZINC000662222238 1120905741 /nfs/dbraw/zinc/90/57/41/1120905741.db2.gz HZMDWXSZMGADBA-UHFFFAOYSA-N 0 1 291.416 3.834 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3c(c2)CCCC3)nc1 ZINC000644833662 1120917711 /nfs/dbraw/zinc/91/77/11/1120917711.db2.gz KJMZXHFGPSCOKL-UHFFFAOYSA-N 0 1 280.415 3.901 20 0 CHADMN CS[C@H](C)CN[C@H](C)c1csc(C(C)C)n1 ZINC000186429569 1120919759 /nfs/dbraw/zinc/91/97/59/1120919759.db2.gz KXOVSFZSZPFQDQ-NXEZZACHSA-N 0 1 258.456 3.669 20 0 CHADMN COc1cc2ccnc(N3CCCC[C@@H]3C)c2cc1OC ZINC000663316879 1120923647 /nfs/dbraw/zinc/92/36/47/1120923647.db2.gz GVUGFFBYWXIYPO-LBPRGKRZSA-N 0 1 286.375 3.631 20 0 CHADMN CC(C)C[N@@H+](CCC12CC3CC(CC(C3)C1)C2)CC(=O)[O-] ZINC000062743481 1120925316 /nfs/dbraw/zinc/92/53/16/1120925316.db2.gz JVYOJUHULGTBMX-UHFFFAOYSA-N 0 1 293.451 3.636 20 0 CHADMN C[C@@]12CCN(Cc3cc4ccccc4[nH]3)C[C@@H]1C2(F)F ZINC000644834280 1120926270 /nfs/dbraw/zinc/92/62/70/1120926270.db2.gz MWUCKEKVWWRLRP-LSDHHAIUSA-N 0 1 276.330 3.645 20 0 CHADMN COc1ccc(CN[C@]2(c3ccccc3)CC2(C)C)cn1 ZINC000662342360 1120928341 /nfs/dbraw/zinc/92/83/41/1120928341.db2.gz AOTUOXHMQGEQKD-SFHVURJKSA-N 0 1 282.387 3.505 20 0 CHADMN Cc1noc(C)c1CN[C@@]1(c2ccccc2)CC1(C)C ZINC000662341179 1120928542 /nfs/dbraw/zinc/92/85/42/1120928542.db2.gz QMZUCJFVRPSKGE-QGZVFWFLSA-N 0 1 270.376 3.706 20 0 CHADMN Cc1ncc(CN[C@@]2(c3ccccc3)CC2(C)C)s1 ZINC000662342920 1120928772 /nfs/dbraw/zinc/92/87/72/1120928772.db2.gz LUOKEOIYOFCEKZ-MRXNPFEDSA-N 0 1 272.417 3.867 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN(C)C[C@@H]1CC1(C)C ZINC000662347911 1120929308 /nfs/dbraw/zinc/92/93/08/1120929308.db2.gz LONPTMDADWJAIT-AWEZNQCLSA-N 0 1 288.435 3.726 20 0 CHADMN Cc1ccncc1CN[C@]1(c2ccccc2)CC1(C)C ZINC000662343409 1120929610 /nfs/dbraw/zinc/92/96/10/1120929610.db2.gz PTVLXHDOYVLKJO-SFHVURJKSA-N 0 1 266.388 3.805 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N(C)C[C@H]1CC1(C)C ZINC000662348220 1120930010 /nfs/dbraw/zinc/93/00/10/1120930010.db2.gz RYPMOYUJWNUUIH-WDEREUQCSA-N 0 1 291.420 3.837 20 0 CHADMN CCCCCCN1CCN(CC(F)(F)F)CC1(C)C ZINC000182245609 1128950052 /nfs/dbraw/zinc/95/00/52/1128950052.db2.gz NOVRUKDZIFWJQJ-UHFFFAOYSA-N 0 1 280.378 3.525 20 0 CHADMN Cc1ccc(-c2nnc([C@H](C)N3CC4CC3(C)C4)o2)cc1 ZINC000662380659 1120932421 /nfs/dbraw/zinc/93/24/21/1120932421.db2.gz JCAKIJSBCBSZEJ-POZPTJLLSA-N 0 1 283.375 3.590 20 0 CHADMN CC12CC(C1)CN2Cc1csc(-c2ccc(F)cc2)n1 ZINC000662380537 1120933330 /nfs/dbraw/zinc/93/33/30/1120933330.db2.gz OSQUUSAHEBDBCP-UHFFFAOYSA-N 0 1 288.391 3.934 20 0 CHADMN C[C@H]1C[C@H](c2cccnc2)N(Cc2ccnn2C2CCC2)C1 ZINC000893570519 1120934073 /nfs/dbraw/zinc/93/40/73/1120934073.db2.gz FNVIGJNEBNZFLI-KBXCAEBGSA-N 0 1 296.418 3.586 20 0 CHADMN Cc1occc1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000161970373 1120934115 /nfs/dbraw/zinc/93/41/15/1120934115.db2.gz NQJKAOGJKQGHEF-UHFFFAOYSA-N 0 1 295.342 3.984 20 0 CHADMN Cc1ccccc1NC(=O)c1c[nH]nc1-c1ccsc1 ZINC000186925675 1120941987 /nfs/dbraw/zinc/94/19/87/1120941987.db2.gz LZGYXWZLWZZODI-UHFFFAOYSA-N 0 1 283.356 3.699 20 0 CHADMN Cc1cc(CNCc2cnccc2C(F)(F)F)cs1 ZINC000663353990 1120944807 /nfs/dbraw/zinc/94/48/07/1120944807.db2.gz HRXIADWIYDJYGQ-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CC1(C)C[N@@H+](CCCC2CCOCC2)[C@H]1c1cccnc1 ZINC000644835502 1120946914 /nfs/dbraw/zinc/94/69/14/1120946914.db2.gz OYNMOXIVEONBJH-KRWDZBQOSA-N 0 1 288.435 3.671 20 0 CHADMN CCN(Cc1ccccc1)Cc1cccc(F)c1OC ZINC001143524849 1120948365 /nfs/dbraw/zinc/94/83/65/1120948365.db2.gz MHSZICIMDXQCRQ-UHFFFAOYSA-N 0 1 273.351 3.856 20 0 CHADMN COc1ccsc1CN[C@H](C)c1cc(C)oc1C ZINC000343901204 1120949291 /nfs/dbraw/zinc/94/92/91/1120949291.db2.gz QLELPVWCZWQLBE-SNVBAGLBSA-N 0 1 265.378 3.817 20 0 CHADMN Cc1nccc(NCC2(C(F)(F)F)CCC2)c1Cl ZINC000343926703 1120970974 /nfs/dbraw/zinc/97/09/74/1120970974.db2.gz ZMGDAHZMWADMBK-UHFFFAOYSA-N 0 1 278.705 3.610 20 0 CHADMN Cc1ccc(-c2nc(CN3CCC[C@H](C)C3)co2)cc1 ZINC000043562759 1120972660 /nfs/dbraw/zinc/97/26/60/1120972660.db2.gz RJYJOTCIFROPFA-AWEZNQCLSA-N 0 1 270.376 3.882 20 0 CHADMN C[C@@H](NCCOCCF)c1cc(Cl)sc1Cl ZINC000663462301 1120978340 /nfs/dbraw/zinc/97/83/40/1120978340.db2.gz ANNKDABNNRAEGT-SSDOTTSWSA-N 0 1 286.199 3.692 20 0 CHADMN CCC[C@@H](NCc1ccnn1CC)c1ccsc1 ZINC000663471211 1120983510 /nfs/dbraw/zinc/98/35/10/1120983510.db2.gz TUDZTVQSFIVFHP-CQSZACIVSA-N 0 1 263.410 3.596 20 0 CHADMN CCC[C@H](NCc1ccnn1CC)c1ccsc1 ZINC000663471210 1120984056 /nfs/dbraw/zinc/98/40/56/1120984056.db2.gz TUDZTVQSFIVFHP-AWEZNQCLSA-N 0 1 263.410 3.596 20 0 CHADMN CCC[C@@H](NCCOC(C)(C)C)c1ncccc1Cl ZINC000925777221 1120985466 /nfs/dbraw/zinc/98/54/66/1120985466.db2.gz CINWEIBZTZVHHY-CYBMUJFWSA-N 0 1 284.831 3.981 20 0 CHADMN Cc1ccc(F)c(CNC2(c3ccccc3)CC2)c1 ZINC000604891436 1121013117 /nfs/dbraw/zinc/01/31/17/1121013117.db2.gz IQIXWEHGMHAYRN-UHFFFAOYSA-N 0 1 255.336 3.913 20 0 CHADMN CC(C)Oc1ncccc1CNCc1cccc2[nH]ccc21 ZINC000315890666 1121016095 /nfs/dbraw/zinc/01/60/95/1121016095.db2.gz OKLSZFOWQMPJAY-UHFFFAOYSA-N 0 1 295.386 3.640 20 0 CHADMN c1c(CN2CCCO[C@H](c3ccccc3)C2)onc1C1CC1 ZINC000659882060 1121020182 /nfs/dbraw/zinc/02/01/82/1121020182.db2.gz XJGBVBFMIFYZJJ-SFHVURJKSA-N 0 1 298.386 3.516 20 0 CHADMN C[C@@H](CC1CCCCC1)NC(=O)Cc1[nH]nc2ccccc21 ZINC000509187609 1121024748 /nfs/dbraw/zinc/02/47/48/1121024748.db2.gz XNEVECXOCGYLEF-ZDUSSCGKSA-N 0 1 299.418 3.581 20 0 CHADMN O=C(CCCC1CC1)Nc1cc(Cl)c(O)cc1F ZINC000643271371 1121031197 /nfs/dbraw/zinc/03/11/97/1121031197.db2.gz PQEWZNYFLIZBFW-UHFFFAOYSA-N 0 1 271.719 3.704 20 0 CHADMN Cc1cccc2c1CCN(Cc1cccc3nsnc31)C2 ZINC000766052136 1121039212 /nfs/dbraw/zinc/03/92/12/1121039212.db2.gz KIRNOJWBQXQCCV-UHFFFAOYSA-N 0 1 295.411 3.558 20 0 CHADMN COc1cc(C)c([C@H](C)NCc2ccc(F)cn2)cc1C ZINC000753670177 1121042642 /nfs/dbraw/zinc/04/26/42/1121042642.db2.gz RBNKRRGFXWULPV-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN Cc1csc(Nc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001174815504 1121044630 /nfs/dbraw/zinc/04/46/30/1121044630.db2.gz JQZNPAAPLARSDN-UHFFFAOYSA-N 0 1 287.432 3.552 20 0 CHADMN Cc1cnc(CN2CCC(C)(CC(C)C)CC2)o1 ZINC000343992843 1121046649 /nfs/dbraw/zinc/04/66/49/1121046649.db2.gz OAZKSVNTPSRLIQ-UHFFFAOYSA-N 0 1 250.386 3.631 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)N1CC[C@@H](C2CC2)C1 ZINC000344011059 1121053049 /nfs/dbraw/zinc/05/30/49/1121053049.db2.gz SAGUEOKHUZPAHS-CMPLNLGQSA-N 0 1 289.404 3.591 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CCCCCCC2)n1 ZINC000074071191 1121055233 /nfs/dbraw/zinc/05/52/33/1121055233.db2.gz VJVDUQNVJQXZFR-GFCCVEGCSA-N 0 1 251.374 3.520 20 0 CHADMN c1csc(-c2cnc(CN3CC[C@H](C4CC4)C3)o2)c1 ZINC000344020684 1121055952 /nfs/dbraw/zinc/05/59/52/1121055952.db2.gz SIFOKSVFUDHYAK-LBPRGKRZSA-N 0 1 274.389 3.635 20 0 CHADMN C[C@@]1(CN2CCc3cccc(Cl)c3C2)CCCCO1 ZINC001206233331 1121056306 /nfs/dbraw/zinc/05/63/06/1121056306.db2.gz VHZJTVLERAPLAG-INIZCTEOSA-N 0 1 279.811 3.657 20 0 CHADMN c1csc(-c2cnc(CN3CC[C@@H](C4CC4)C3)o2)c1 ZINC000344020683 1121056558 /nfs/dbraw/zinc/05/65/58/1121056558.db2.gz SIFOKSVFUDHYAK-GFCCVEGCSA-N 0 1 274.389 3.635 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3cc(Cl)ccc32)nc1 ZINC000134251942 1121065422 /nfs/dbraw/zinc/06/54/22/1121065422.db2.gz RYWKTLMTPUHCEE-MRXNPFEDSA-N 0 1 272.779 3.821 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3cc(Cl)ccc32)nc1 ZINC000134251964 1121066127 /nfs/dbraw/zinc/06/61/27/1121066127.db2.gz RYWKTLMTPUHCEE-INIZCTEOSA-N 0 1 272.779 3.821 20 0 CHADMN Cc1ccsc1CN1CCO[C@@H](c2ccccc2C)C1 ZINC000093478417 1128959948 /nfs/dbraw/zinc/95/99/48/1128959948.db2.gz PENGEUINNKWSQA-MRXNPFEDSA-N 0 1 287.428 3.938 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@H](C)c1cnccc1C)CCO2 ZINC000344094652 1121081276 /nfs/dbraw/zinc/08/12/76/1121081276.db2.gz FHDJSOQNFMINJA-CXAGYDPISA-N 0 1 298.386 3.573 20 0 CHADMN CC(C)(C)c1ncc(CN2CCSC(C)(C)C2)s1 ZINC000093504581 1128961105 /nfs/dbraw/zinc/96/11/05/1128961105.db2.gz KIKAPJSPLHBKRA-UHFFFAOYSA-N 0 1 284.494 3.768 20 0 CHADMN C[N@@H+](Cc1cccc(O)c1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237984113 1129235222 /nfs/dbraw/zinc/23/52/22/1129235222.db2.gz MHSMAZKMGKXLJU-UHFFFAOYSA-N 0 1 295.741 3.522 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H](C)C3CCCC3)n2)cc1 ZINC000674092440 1121083875 /nfs/dbraw/zinc/08/38/75/1121083875.db2.gz NFFZGKJUFMTFOA-GFCCVEGCSA-N 0 1 298.390 3.545 20 0 CHADMN CN(Cc1nc2cc(Cl)ccc2n1C)C[C@@H]1CC1(C)C ZINC001174914611 1121092238 /nfs/dbraw/zinc/09/22/38/1121092238.db2.gz CPZRAZZUSHUXOV-NSHDSACASA-N 0 1 291.826 3.705 20 0 CHADMN Cc1n[nH]cc1CN[C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000038011578 1121095082 /nfs/dbraw/zinc/09/50/82/1121095082.db2.gz AFZZPFWRKUSYKG-JTQLQIEISA-N 0 1 292.452 3.631 20 0 CHADMN Oc1ccc(F)c(CN[C@H]2C[C@@H]2C2CCCCC2)c1F ZINC000512116231 1121096747 /nfs/dbraw/zinc/09/67/47/1121096747.db2.gz NFULQJGNMBXLMI-RISCZKNCSA-N 0 1 281.346 3.729 20 0 CHADMN FC(F)Oc1cccc(Cl)c1CN[C@@H]1CC12CC2 ZINC000643800013 1121098673 /nfs/dbraw/zinc/09/86/73/1121098673.db2.gz PFBWAWRIORCOMI-LLVKDONJSA-N 0 1 273.710 3.584 20 0 CHADMN CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000512127649 1121107257 /nfs/dbraw/zinc/10/72/57/1121107257.db2.gz BLSDSVYRWHBXFP-UONOGXRCSA-N 0 1 295.496 3.509 20 0 CHADMN C[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1ccncc1 ZINC000167951857 1121112551 /nfs/dbraw/zinc/11/25/51/1121112551.db2.gz QBRZWNFRLAMSTI-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN COc1ccc(CNCc2c(C)oc3ccccc32)o1 ZINC000893641584 1121116964 /nfs/dbraw/zinc/11/69/64/1121116964.db2.gz JMURXZFDIMYRSO-UHFFFAOYSA-N 0 1 271.316 3.633 20 0 CHADMN Fc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1F ZINC000661880374 1121118956 /nfs/dbraw/zinc/11/89/56/1121118956.db2.gz INAYEGLEIZPWBP-BBRMVZONSA-N 0 1 295.373 3.746 20 0 CHADMN Fc1cccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c1F ZINC000661880374 1121118960 /nfs/dbraw/zinc/11/89/60/1121118960.db2.gz INAYEGLEIZPWBP-BBRMVZONSA-N 0 1 295.373 3.746 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(C(F)F)nc2)nc1C ZINC000658035390 1121123451 /nfs/dbraw/zinc/12/34/51/1121123451.db2.gz MRIUVZJDYAVUOR-GFCCVEGCSA-N 0 1 291.345 3.882 20 0 CHADMN CCOc1ccc(CN(C)[C@@H](C)c2ccccc2)nc1 ZINC000674388032 1121127293 /nfs/dbraw/zinc/12/72/93/1121127293.db2.gz PACPJEMIMPWWQY-AWEZNQCLSA-N 0 1 270.376 3.673 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1CCCCC[C@H]1C ZINC000512163710 1121130798 /nfs/dbraw/zinc/13/07/98/1121130798.db2.gz JUAYJPNRSQRRDW-CYBMUJFWSA-N 0 1 294.826 3.851 20 0 CHADMN O=C(CCc1cccs1)Nc1cccc(Cl)c1O ZINC000172110329 1121140053 /nfs/dbraw/zinc/14/00/53/1121140053.db2.gz AYGGJGWLCAJYLZ-UHFFFAOYSA-N 0 1 281.764 3.678 20 0 CHADMN FC1C[C@@H]2COC[C@H](C1)N2CCCC1CCCCC1 ZINC001207609137 1121142459 /nfs/dbraw/zinc/14/24/59/1121142459.db2.gz OAPHNRHGKBDSHI-MQVJKMGUSA-N 0 1 269.404 3.548 20 0 CHADMN CCc1nn(C)c(CC)c1CNCc1coc2ccccc12 ZINC000169276908 1121145218 /nfs/dbraw/zinc/14/52/18/1121145218.db2.gz XEFBIMZGQWXTNZ-UHFFFAOYSA-N 0 1 297.402 3.581 20 0 CHADMN Cc1nnc(Nc2ccc(-c3ccccc3)cc2F)o1 ZINC001175061312 1121146255 /nfs/dbraw/zinc/14/62/55/1121146255.db2.gz LEPYSPVYLSHMAG-UHFFFAOYSA-N 0 1 269.279 3.928 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cccc(F)c1OC ZINC001143530402 1121147609 /nfs/dbraw/zinc/14/76/09/1121147609.db2.gz UNZHQSBQTHRVGV-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN CC(C)O[C@H](CN1Cc2ccc(O)cc2C1)c1ccccc1 ZINC000625727937 1121151616 /nfs/dbraw/zinc/15/16/16/1121151616.db2.gz RGHGVRCHUPYBLP-LJQANCHMSA-N 0 1 297.398 3.874 20 0 CHADMN CCOC1CCN([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000172528635 1121154809 /nfs/dbraw/zinc/15/48/09/1121154809.db2.gz YYONXYDXZZTGKF-MRXNPFEDSA-N 0 1 283.362 3.917 20 0 CHADMN CC(C)C[C@H]1CCCCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000172624202 1121156909 /nfs/dbraw/zinc/15/69/09/1121156909.db2.gz JGRIPPNNHSXXPJ-CQSZACIVSA-N 0 1 289.423 3.718 20 0 CHADMN CC(C)(NCc1cc[nH]n1)c1ccc2ccccc2c1 ZINC001175044407 1121157132 /nfs/dbraw/zinc/15/71/32/1121157132.db2.gz GCIMSLQAEYLRCK-UHFFFAOYSA-N 0 1 265.360 3.588 20 0 CHADMN C/C=C\C[C@H]1CCCN(Cc2ccsc2C(=O)OC)C1 ZINC001175045323 1121157757 /nfs/dbraw/zinc/15/77/57/1121157757.db2.gz PVZPNIIZXDKXQE-SCOBNMCVSA-N 0 1 293.432 3.713 20 0 CHADMN C[C@H](NCc1ccc(Br)cn1)c1cccs1 ZINC000069938563 1121161547 /nfs/dbraw/zinc/16/15/47/1121161547.db2.gz MDCIXJCDVBOJAC-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN CC(C)COCCNC1(c2c(F)cccc2F)CCC1 ZINC001175102753 1121166013 /nfs/dbraw/zinc/16/60/13/1121166013.db2.gz DJGKDVDHGMCENW-UHFFFAOYSA-N 0 1 283.362 3.606 20 0 CHADMN Clc1ccccc1-c1cc(CN2CC[C@H]3C[C@H]3C2)no1 ZINC000661966979 1121166586 /nfs/dbraw/zinc/16/65/86/1121166586.db2.gz MPQBMSDHNBBMSP-RYUDHWBXSA-N 0 1 288.778 3.837 20 0 CHADMN Clc1cccc(Cl)c1CN1CC[C@H]2OCC[C@@H]2C1 ZINC001203422752 1121168094 /nfs/dbraw/zinc/16/80/94/1121168094.db2.gz FRBJONNRZHMWIJ-QMTHXVAHSA-N 0 1 286.202 3.604 20 0 CHADMN Cc1cccc(CO[C@H]2CCN3Cc4ccccc4N=C23)c1 ZINC001204674213 1121173971 /nfs/dbraw/zinc/17/39/71/1121173971.db2.gz VEEAVAXZXBKPQB-SFHVURJKSA-N 0 1 292.382 3.830 20 0 CHADMN Fc1ccc(C(F)(F)F)cc1Nc1nonc1C1CC1 ZINC001175076361 1121174541 /nfs/dbraw/zinc/17/45/41/1121174541.db2.gz VKOABTGLCXRSBP-UHFFFAOYSA-N 0 1 287.216 3.849 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2sc(C)nc2C)o1 ZINC000040445830 1121182509 /nfs/dbraw/zinc/18/25/09/1121182509.db2.gz IBPRWZNYPDJUQK-VIFPVBQESA-N 0 1 250.367 3.512 20 0 CHADMN CCOc1ccccc1-c1cc([C@@H](N)C(C)(C)C)on1 ZINC000702229957 1121186512 /nfs/dbraw/zinc/18/65/12/1121186512.db2.gz XFGBGNIHFZGFDB-OAHLLOKOSA-N 0 1 274.364 3.786 20 0 CHADMN COc1cccc2cc(CNCc3ccsc3)oc21 ZINC000062103898 1121187643 /nfs/dbraw/zinc/18/76/43/1121187643.db2.gz XZSPZUJVXBOEFJ-UHFFFAOYSA-N 0 1 273.357 3.793 20 0 CHADMN CCOc1ccc(CN(Cc2ccccc2C)C2CC2)nc1 ZINC000674862065 1121188051 /nfs/dbraw/zinc/18/80/51/1121188051.db2.gz KDHNTBLFXDBSKI-UHFFFAOYSA-N 0 1 296.414 3.953 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1cc(F)cc(OC(C)C)c1 ZINC001175138856 1121197694 /nfs/dbraw/zinc/19/76/94/1121197694.db2.gz ALAYNLQMMFQCJL-UHFFFAOYSA-N 0 1 299.349 3.842 20 0 CHADMN CC(C)(C)OCCCSc1nc(-c2ccccc2)n[nH]1 ZINC000674924171 1121199234 /nfs/dbraw/zinc/19/92/34/1121199234.db2.gz LHORDLZETVSVTJ-UHFFFAOYSA-N 0 1 291.420 3.769 20 0 CHADMN Clc1cccc2c1CN(C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207632454 1121199637 /nfs/dbraw/zinc/19/96/37/1121199637.db2.gz OJTAOMCBKWBSEU-SCRDCRAPSA-N 0 1 259.780 3.868 20 0 CHADMN C[C@@H](NCc1ccc(C2CC2)cc1)c1ccccn1 ZINC000094517986 1121209903 /nfs/dbraw/zinc/20/99/03/1121209903.db2.gz QKOWZQKHRIHMIN-CYBMUJFWSA-N 0 1 252.361 3.810 20 0 CHADMN CCOc1cc(C)c(Nc2cc(OC)ccn2)c(C)c1 ZINC001175172182 1121214905 /nfs/dbraw/zinc/21/49/05/1121214905.db2.gz YFPFERQXTBNPER-UHFFFAOYSA-N 0 1 272.348 3.849 20 0 CHADMN Cc1ccccc1NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000007756824 1121219559 /nfs/dbraw/zinc/21/95/59/1121219559.db2.gz MQCRLBAOLKJYPP-UHFFFAOYSA-N 0 1 277.327 3.637 20 0 CHADMN c1ccc(C[C@H]2CC[N@H+]2Cc2cccc3nsnc32)cc1 ZINC000766090988 1121220522 /nfs/dbraw/zinc/22/05/22/1121220522.db2.gz LBDNVZABGQBMHN-OAHLLOKOSA-N 0 1 295.411 3.508 20 0 CHADMN FCCC1CCN(Cc2cc(F)ccc2F)CC1 ZINC001175182957 1121221659 /nfs/dbraw/zinc/22/16/59/1121221659.db2.gz DLZHPVADSVSGOT-UHFFFAOYSA-N 0 1 257.299 3.536 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccccn2)cc1F ZINC000094836663 1121230201 /nfs/dbraw/zinc/23/02/01/1121230201.db2.gz VBVDWXMMLNPKOJ-CHWSQXEVSA-N 0 1 258.340 3.941 20 0 CHADMN CCOc1cccc(Nc2ccc3nccn3c2)c1F ZINC001175234152 1121235762 /nfs/dbraw/zinc/23/57/62/1121235762.db2.gz FYHFPNRNWZQLFK-UHFFFAOYSA-N 0 1 271.295 3.616 20 0 CHADMN CC(C)C[C@H](C)[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000355906896 1121241696 /nfs/dbraw/zinc/24/16/96/1121241696.db2.gz NXMVJZATGVYWIW-JSGCOSHPSA-N 0 1 253.411 3.556 20 0 CHADMN CC(C)C[C@H](C)N1CCO[C@H](c2ccsc2)C1 ZINC000355906896 1121241703 /nfs/dbraw/zinc/24/17/03/1121241703.db2.gz NXMVJZATGVYWIW-JSGCOSHPSA-N 0 1 253.411 3.556 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@H]1CCc2ccc(O)cc21 ZINC000658239041 1121245072 /nfs/dbraw/zinc/24/50/72/1121245072.db2.gz SXFNZOISDVNLFD-PXAZEXFGSA-N 0 1 282.387 3.688 20 0 CHADMN Fc1cccc(OCc2ccccc2)c1Nc1ccncc1 ZINC001175279021 1121251130 /nfs/dbraw/zinc/25/11/30/1121251130.db2.gz LYYOJNZZSSTVSO-UHFFFAOYSA-N 0 1 294.329 3.965 20 0 CHADMN CSc1ccc([C@@H](C)NCc2cn3ccccc3n2)cc1 ZINC000112346782 1121254807 /nfs/dbraw/zinc/25/48/07/1121254807.db2.gz SGPZCTVKEUPYOD-CYBMUJFWSA-N 0 1 297.427 3.907 20 0 CHADMN CCOc1c(F)cccc1Nc1ccnn1-c1ccncc1 ZINC001212535469 1121262504 /nfs/dbraw/zinc/26/25/04/1121262504.db2.gz XTENKSWSQBRUGN-UHFFFAOYSA-N 0 1 298.321 3.549 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2ccc(C(F)(F)F)s2)C1 ZINC000432752686 1121317111 /nfs/dbraw/zinc/31/71/11/1121317111.db2.gz OBCUSFUVSIKRLY-BDAKNGLRSA-N 0 1 263.328 3.997 20 0 CHADMN COc1ncc(CN[C@H](C)c2cccc(Cl)c2)s1 ZINC000311051746 1121296757 /nfs/dbraw/zinc/29/67/57/1121296757.db2.gz QVZAQAVGMRHDRH-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN Fc1ccccc1CCSc1nc(-c2ccccc2)n[nH]1 ZINC000432729639 1121298374 /nfs/dbraw/zinc/29/83/74/1121298374.db2.gz RLPOBGVSXJXCGI-UHFFFAOYSA-N 0 1 299.374 3.946 20 0 CHADMN CC[C@H]1C[C@@]1(NCc1cnc(C)cn1)c1cccc(C)c1 ZINC000500532883 1121299448 /nfs/dbraw/zinc/29/94/48/1121299448.db2.gz LWNVJUVICXDRHL-YJBOKZPZSA-N 0 1 281.403 3.508 20 0 CHADMN Fc1ccc2nc(CN3CCCCCC3)sc2c1 ZINC000432739223 1121307332 /nfs/dbraw/zinc/30/73/32/1121307332.db2.gz XCBUPBXMAPBQQV-UHFFFAOYSA-N 0 1 264.369 3.811 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)N1CCO[C@H](C)C1 ZINC000500576252 1121313477 /nfs/dbraw/zinc/31/34/77/1121313477.db2.gz SWDRKWOZSNHBOZ-ZIAGYGMSSA-N 0 1 261.409 3.766 20 0 CHADMN CCCCC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000631005504 1128977258 /nfs/dbraw/zinc/97/72/58/1128977258.db2.gz RTJYDSXUQLFGJO-UHFFFAOYSA-N 0 1 289.404 3.632 20 0 CHADMN CO[C@@H](C)CN(Cc1nc2ccc(F)cc2s1)C(C)C ZINC000432751870 1121318216 /nfs/dbraw/zinc/31/82/16/1121318216.db2.gz FPYRQRQXWOZIMK-NSHDSACASA-N 0 1 296.411 3.681 20 0 CHADMN Cc1ccc([C@H]2CCC[C@@H]2N(C)Cc2cocn2)cc1 ZINC000432749414 1121319638 /nfs/dbraw/zinc/31/96/38/1121319638.db2.gz UNBCZRXBRSDJCY-SJORKVTESA-N 0 1 270.376 3.751 20 0 CHADMN Fc1ccccc1CN(Cc1ccco1)CC1CC1 ZINC000675639925 1121332114 /nfs/dbraw/zinc/33/21/14/1121332114.db2.gz IFCYYHKZKPDVFP-UHFFFAOYSA-N 0 1 259.324 3.831 20 0 CHADMN C[C@H]1CC[C@@H](N(C)Cc2ccn(-c3ccccc3F)n2)C1 ZINC000429577222 1121338949 /nfs/dbraw/zinc/33/89/49/1121338949.db2.gz FAKZLMPRUMKTKZ-DZGCQCFKSA-N 0 1 287.382 3.632 20 0 CHADMN Cc1ccc(F)c(N=C2CCN(Cc3ccccc3)CC2)n1 ZINC001175506144 1121353784 /nfs/dbraw/zinc/35/37/84/1121353784.db2.gz WBRFSVGMCTYNBL-UHFFFAOYSA-N 0 1 297.377 3.731 20 0 CHADMN C[C@H]1CC2(CCC2)CN1Cc1ccn(-c2ccccc2)n1 ZINC000432787907 1121354284 /nfs/dbraw/zinc/35/42/84/1121354284.db2.gz INZOMCIOCWNFEM-HNNXBMFYSA-N 0 1 281.403 3.637 20 0 CHADMN CCOCCN(C)Cc1ccc(-c2ccc(C)cc2)o1 ZINC000500692979 1121354649 /nfs/dbraw/zinc/35/46/49/1121354649.db2.gz ANVNPZJZLYRYKL-UHFFFAOYSA-N 0 1 273.376 3.723 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc3c(s2)CCCC3)on1 ZINC000125561096 1121355124 /nfs/dbraw/zinc/35/51/24/1121355124.db2.gz QOUANQFMKGQNEA-NSHDSACASA-N 0 1 276.405 3.774 20 0 CHADMN Cc1occc1CN[C@@H]1CC(C)(C)Cc2occc21 ZINC000675780028 1121357351 /nfs/dbraw/zinc/35/73/51/1121357351.db2.gz USRITLUPVKOCCR-CQSZACIVSA-N 0 1 259.349 3.984 20 0 CHADMN COCc1ccc(CNCc2ccc(C)cc2F)cc1 ZINC000631037691 1128980383 /nfs/dbraw/zinc/98/03/83/1128980383.db2.gz LZDVXLDFUHROAC-UHFFFAOYSA-N 0 1 273.351 3.570 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1nc(Cl)cnc1Cl ZINC001175524241 1121362604 /nfs/dbraw/zinc/36/26/04/1121362604.db2.gz QCGOYVNVTFQSAP-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1ccc(Nc2c3cn[nH]c3ccc2C)c(C)n1 ZINC001175524333 1121362683 /nfs/dbraw/zinc/36/26/83/1121362683.db2.gz BHDNTPITQULRQP-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN COc1ccc(Nc2c3cn[nH]c3ccc2C)c(Cl)n1 ZINC001175523282 1121362896 /nfs/dbraw/zinc/36/28/96/1121362896.db2.gz FAUQOYJQTUQMNG-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN CC[C@@H](NCc1ccc(O)cc1)c1ccc(F)cc1F ZINC000675801755 1121362949 /nfs/dbraw/zinc/36/29/49/1121362949.db2.gz CBIBCVMYGYTSAV-MRXNPFEDSA-N 0 1 277.314 3.911 20 0 CHADMN Cc1cc(Nc2c3cn[nH]c3ccc2C)cc(Cl)n1 ZINC001175523033 1121363552 /nfs/dbraw/zinc/36/35/52/1121363552.db2.gz CZDVWILKFWJRGX-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@H](C)c1sccc1C ZINC000675808713 1121364398 /nfs/dbraw/zinc/36/43/98/1121364398.db2.gz RMSDVTVDQFKEEO-CYBMUJFWSA-N 0 1 290.432 3.928 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cnc(Cl)nc1Cl ZINC001175524840 1121364435 /nfs/dbraw/zinc/36/44/35/1121364435.db2.gz YSOCHQAQDSUNSJ-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2cn(C)nc2c1 ZINC001175525884 1121364507 /nfs/dbraw/zinc/36/45/07/1121364507.db2.gz JEJFFGMDLPZBDT-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@H](C)c1cccc(F)c1 ZINC000675808145 1121364979 /nfs/dbraw/zinc/36/49/79/1121364979.db2.gz KOFZKBYJJFOXGZ-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN COc1cccc([C@@H](C)NCc2ccnn2CC2CCC2)c1 ZINC000631045858 1128980656 /nfs/dbraw/zinc/98/06/56/1128980656.db2.gz CHJDEJDLZVPGQF-CQSZACIVSA-N 0 1 299.418 3.543 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1c(F)c(F)nc(F)c1F ZINC001175525522 1121366263 /nfs/dbraw/zinc/36/62/63/1121366263.db2.gz LPDQVWKINYPLLL-UHFFFAOYSA-N 0 1 296.227 3.566 20 0 CHADMN COC(=O)c1cc(F)cc(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175525497 1121366494 /nfs/dbraw/zinc/36/64/94/1121366494.db2.gz FDWODTWXAIBQPV-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2cnncc21 ZINC001175526761 1121367409 /nfs/dbraw/zinc/36/74/09/1121367409.db2.gz SELHCMSUCAXSOC-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN CCOc1cccc(CNCc2ccc(C(F)F)nc2)c1 ZINC000631046941 1128980813 /nfs/dbraw/zinc/98/08/13/1128980813.db2.gz KZLUPXAAEFJJTF-UHFFFAOYSA-N 0 1 292.329 3.708 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2cnoc21 ZINC001175526971 1121368051 /nfs/dbraw/zinc/36/80/51/1121368051.db2.gz DTMQCZRUMBIEGK-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(F)cc(C)c1O ZINC001175526389 1121368868 /nfs/dbraw/zinc/36/88/68/1121368868.db2.gz NPXZWTCMUXTYFK-UHFFFAOYSA-N 0 1 271.295 3.768 20 0 CHADMN CCN(Cc1nc(Cc2ccccc2C)no1)C1CCCC1 ZINC000079400118 1121370466 /nfs/dbraw/zinc/37/04/66/1121370466.db2.gz JNSVEMDYOPIPKI-UHFFFAOYSA-N 0 1 299.418 3.733 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2c(c1)[C@H](O)CC2 ZINC001175527688 1121370445 /nfs/dbraw/zinc/37/04/45/1121370445.db2.gz QDSSWCBIWVXEPN-MRXNPFEDSA-N 0 1 279.343 3.595 20 0 CHADMN CCn1ncc2cc(Nc3c4cn[nH]c4ccc3C)ccc21 ZINC001175527216 1121371279 /nfs/dbraw/zinc/37/12/79/1121371279.db2.gz HSXUSTPWHINYMS-UHFFFAOYSA-N 0 1 291.358 3.985 20 0 CHADMN Clc1ccc(C=CNc2nonc2C2CC2)cc1 ZINC001175597787 1121378495 /nfs/dbraw/zinc/37/84/95/1121378495.db2.gz ZDEWYWXCOUBOLR-BQYQJAHWSA-N 0 1 261.712 3.683 20 0 CHADMN COCC1(C)CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC000500746737 1121378474 /nfs/dbraw/zinc/37/84/74/1121378474.db2.gz GJLNSCKMMZWCIU-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN CCc1ccc(N[C@H](c2nnc[nH]2)c2ccccc2)cc1F ZINC000675896063 1121379065 /nfs/dbraw/zinc/37/90/65/1121379065.db2.gz XUYXKXLOZNNRHL-INIZCTEOSA-N 0 1 296.349 3.708 20 0 CHADMN C[C@@H]1CN(Cc2ccc3ccc(Cl)cc3n2)CCS1 ZINC001175601821 1121382867 /nfs/dbraw/zinc/38/28/67/1121382867.db2.gz UFELCXKWOYFVCI-LLVKDONJSA-N 0 1 292.835 3.826 20 0 CHADMN Cc1ccc(N[C@H](c2nnc[nH]2)c2ccccc2)c(Cl)c1 ZINC000675925130 1121384173 /nfs/dbraw/zinc/38/41/73/1121384173.db2.gz MQQZGFFVBSVZRY-HNNXBMFYSA-N 0 1 298.777 3.968 20 0 CHADMN C[C@H](N(C)Cc1c(Cl)nc2ccccn21)C1(C)CC1 ZINC000091900307 1121387937 /nfs/dbraw/zinc/38/79/37/1121387937.db2.gz WYRPLIDUDPRFLZ-NSHDSACASA-N 0 1 277.799 3.608 20 0 CHADMN C[C@@H](N[C@@H]1CCCC1(C)C)c1noc(-c2ccccc2)n1 ZINC000675937232 1121388121 /nfs/dbraw/zinc/38/81/21/1121388121.db2.gz UGBYGKYIWRQVIF-TZMCWYRMSA-N 0 1 285.391 3.966 20 0 CHADMN Cc1ccc([C@@H](NCCOC2CCC2)c2cccnc2)cc1 ZINC000925895217 1121394894 /nfs/dbraw/zinc/39/48/94/1121394894.db2.gz WDQJYCQYVUIOFG-LJQANCHMSA-N 0 1 296.414 3.638 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1cccc(Br)n1 ZINC000692927608 1121396483 /nfs/dbraw/zinc/39/64/83/1121396483.db2.gz XMEROFMRUYVMIQ-VGPLMAKISA-N 0 1 295.224 3.607 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1Cc1nc2ccccc2c(=O)[nH]1 ZINC000676041665 1121400451 /nfs/dbraw/zinc/40/04/51/1121400451.db2.gz KXEPQNKPHHOIFD-CJNGLKHVSA-N 0 1 299.418 3.736 20 0 CHADMN CN(Cc1ccc(F)cc1F)[C@@H]1C[C@@H]1c1ccccc1 ZINC000676043642 1121401867 /nfs/dbraw/zinc/40/18/67/1121401867.db2.gz KFDGXBBLIQBRDY-NVXWUHKLSA-N 0 1 273.326 3.953 20 0 CHADMN Cc1scc(CN[C@@H](C)c2cnn(C(C)C)c2)c1C ZINC000631073053 1128983234 /nfs/dbraw/zinc/98/32/34/1128983234.db2.gz YWBPOFTUMMSOCS-LBPRGKRZSA-N 0 1 277.437 3.993 20 0 CHADMN CC[N@H+](CCC1CC1)Cc1cccc([O-])c1Cl ZINC000512521746 1121406937 /nfs/dbraw/zinc/40/69/37/1121406937.db2.gz JDQYUUXSWXJQBF-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN CC[N@@H+](CCC1CC1)Cc1cccc([O-])c1Cl ZINC000512521746 1121406943 /nfs/dbraw/zinc/40/69/43/1121406943.db2.gz JDQYUUXSWXJQBF-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN Cc1nc([C@H](C)NC[C@H]2COc3ccccc32)c(C)s1 ZINC000676145460 1121409265 /nfs/dbraw/zinc/40/92/65/1121409265.db2.gz IAMGOIHYIYKODY-GWCFXTLKSA-N 0 1 288.416 3.587 20 0 CHADMN COC(=O)c1ccc(F)cc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175703286 1121414549 /nfs/dbraw/zinc/41/45/49/1121414549.db2.gz ZZWDIHBOCVYLFG-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1[nH]nc2ccc(Nc3c(F)c(F)nc(F)c3F)cc12 ZINC001175695358 1121414805 /nfs/dbraw/zinc/41/48/05/1121414805.db2.gz GIMRUXQJHGJBTF-UHFFFAOYSA-N 0 1 296.227 3.566 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccnc(Cl)c3C)cc12 ZINC001175693628 1121414869 /nfs/dbraw/zinc/41/48/69/1121414869.db2.gz FVCQYPVLSHEPSL-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(Cl)cnc3C)cc12 ZINC001175694516 1121414970 /nfs/dbraw/zinc/41/49/70/1121414970.db2.gz RHLPTAJVSRBUFY-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN CC[C@@H]1CO[C@H](C)C[N@H+]1CCCOc1cc(C)cc(C)c1 ZINC000676227697 1121415003 /nfs/dbraw/zinc/41/50/03/1121415003.db2.gz OJBWTRVMHJKYSE-IAGOWNOFSA-N 0 1 291.435 3.572 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1CCCOc1cc(C)cc(C)c1 ZINC000676227697 1121415009 /nfs/dbraw/zinc/41/50/09/1121415009.db2.gz OJBWTRVMHJKYSE-IAGOWNOFSA-N 0 1 291.435 3.572 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ncc(C)cc3C)cc21 ZINC001175693758 1121415221 /nfs/dbraw/zinc/41/52/21/1121415221.db2.gz JRCVBBNOTYJVQT-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cnn(C(C)(C)C)c3)cc12 ZINC001175694842 1121415355 /nfs/dbraw/zinc/41/53/55/1121415355.db2.gz ADUCHJFUKJWPTC-UHFFFAOYSA-N 0 1 269.352 3.566 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@@H]1CCc2c1cccc2F ZINC000147753781 1121415818 /nfs/dbraw/zinc/41/58/18/1121415818.db2.gz OVKDQTOFRQIMMP-BJOHPYRUSA-N 0 1 274.339 3.769 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(F)ccc3F)cc12 ZINC001175698905 1121416230 /nfs/dbraw/zinc/41/62/30/1121416230.db2.gz KBPVHQLFROSEPB-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN COC(=O)c1ccc(Nc2ccc3n[nH]c(C)c3c2)cc1C ZINC001175699069 1121416758 /nfs/dbraw/zinc/41/67/58/1121416758.db2.gz HNLKMJJWPPOZQD-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN CC(=O)c1cc(F)ccc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175699736 1121417650 /nfs/dbraw/zinc/41/76/50/1121417650.db2.gz CMSJTQSEDJFIPS-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN CCCc1ccnc(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175699510 1121418244 /nfs/dbraw/zinc/41/82/44/1121418244.db2.gz RAHBWFLFTJOZHZ-UHFFFAOYSA-N 0 1 266.348 3.962 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4nnsc4c3)cc21 ZINC001175701409 1121418932 /nfs/dbraw/zinc/41/89/32/1121418932.db2.gz BLFQHEHVLUPNKM-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN CC[C@H](NCc1ccc(C)cc1F)c1ccncc1 ZINC000631080680 1128984144 /nfs/dbraw/zinc/98/41/44/1128984144.db2.gz VBOFESSWYADBMI-INIZCTEOSA-N 0 1 258.340 3.770 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(F)cnc3Cl)ccc12 ZINC001175657042 1121421646 /nfs/dbraw/zinc/42/16/46/1121421646.db2.gz NXHQZCSUYFJRDS-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN COc1cnc(Cl)c(Nc2ccc3c(C)[nH]nc3c2)c1 ZINC001175656227 1121422007 /nfs/dbraw/zinc/42/20/07/1121422007.db2.gz BEIWNBLEAIZQCC-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN COc1c(Cl)cccc1NCc1[nH]nc2ccccc21 ZINC000676317383 1121422611 /nfs/dbraw/zinc/42/26/11/1121422611.db2.gz HBYDGMBMZRPQCZ-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN CCOc1cc(Nc2ccc3c(c2)n[nH]c3C)cc(C)n1 ZINC001175657697 1121423192 /nfs/dbraw/zinc/42/31/92/1121423192.db2.gz XAJUDDYDZQEWSB-UHFFFAOYSA-N 0 1 282.347 3.717 20 0 CHADMN COc1cc(Cl)ncc1Nc1ccc2c(C)[nH]nc2c1 ZINC001175661138 1121424451 /nfs/dbraw/zinc/42/44/51/1121424451.db2.gz ACJVNGUELGAMEE-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN CO[C@@H](C)c1cccc(NCc2[nH]nc3ccccc32)c1 ZINC000676322689 1121424582 /nfs/dbraw/zinc/42/45/82/1121424582.db2.gz LTSXNLPJOYICFH-LBPRGKRZSA-N 0 1 281.359 3.882 20 0 CHADMN CC(=O)c1cccc(Nc2ccc3c(C)[nH]nc3c2)c1 ZINC001175661601 1121425162 /nfs/dbraw/zinc/42/51/62/1121425162.db2.gz OMZNZPZQMSLVQE-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(Cl)c(F)cc3N)ccc12 ZINC001175661799 1121426130 /nfs/dbraw/zinc/42/61/30/1121426130.db2.gz SJDQDDOLAHGDMI-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN COc1cccc(F)c1Nc1ccc2c(C)[nH]nc2c1 ZINC001175662362 1121426366 /nfs/dbraw/zinc/42/63/66/1121426366.db2.gz IPBUERJLDXJMPX-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4c(c3)OCCCO4)ccc21 ZINC001175661781 1121426591 /nfs/dbraw/zinc/42/65/91/1121426591.db2.gz RHSSDZDJLLASCB-UHFFFAOYSA-N 0 1 295.342 3.776 20 0 CHADMN COCOc1cccc(Nc2ccc3c(c2)n[nH]c3C)c1 ZINC001175663112 1121428115 /nfs/dbraw/zinc/42/81/15/1121428115.db2.gz UJCDLVHEEKPVDL-UHFFFAOYSA-N 0 1 283.331 3.598 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4ncn(C)c43)ccc12 ZINC001175662737 1121428162 /nfs/dbraw/zinc/42/81/62/1121428162.db2.gz BPZILSHSOIRAPQ-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1cc(CN[C@@H](Cn2ccnc2)c2ccccc2)cs1 ZINC001175668815 1121429400 /nfs/dbraw/zinc/42/94/00/1121429400.db2.gz HUMLOWQHPJWJFT-KRWDZBQOSA-N 0 1 297.427 3.784 20 0 CHADMN COc1ccccc1/C=C\CN(C)Cc1cccc(O)c1 ZINC000676414734 1121432415 /nfs/dbraw/zinc/43/24/15/1121432415.db2.gz XJYRMBFSXUOCPY-TWGQIWQCSA-N 0 1 283.371 3.546 20 0 CHADMN Cc1nc([C@@H](C)NCCc2cc(F)ccc2F)c(C)s1 ZINC000676491449 1121436454 /nfs/dbraw/zinc/43/64/54/1121436454.db2.gz CFSZQUYABSKIIF-SECBINFHSA-N 0 1 296.386 3.931 20 0 CHADMN Cc1n[nH]c(CN(C)[C@H]2CCCc3ccccc32)c1C ZINC000893906212 1121437306 /nfs/dbraw/zinc/43/73/06/1121437306.db2.gz WTJDADRFANUTJW-KRWDZBQOSA-N 0 1 269.392 3.536 20 0 CHADMN Cc1nc(N=C2CCCCC2)c(N)cc1Br ZINC001175752241 1121438966 /nfs/dbraw/zinc/43/89/66/1121438966.db2.gz RMWYLCBNXMXKIR-UHFFFAOYSA-N 0 1 282.185 3.605 20 0 CHADMN CCn1cc(CN[C@H](C)c2cc3ccccc3o2)c(C)n1 ZINC000893910005 1121439513 /nfs/dbraw/zinc/43/95/13/1121439513.db2.gz AHXGKBCQTRJJLI-CYBMUJFWSA-N 0 1 283.375 3.808 20 0 CHADMN Cc1n[nH]c(CN(Cc2ccco2)C2CCCC2)c1C ZINC000893935735 1121442736 /nfs/dbraw/zinc/44/27/36/1121442736.db2.gz FPGPTWDQHHQWFM-UHFFFAOYSA-N 0 1 273.380 3.564 20 0 CHADMN Cc1[nH]nc(CN(Cc2ccco2)C2CCCC2)c1C ZINC000893935735 1121442740 /nfs/dbraw/zinc/44/27/40/1121442740.db2.gz FPGPTWDQHHQWFM-UHFFFAOYSA-N 0 1 273.380 3.564 20 0 CHADMN COc1ccc2[nH]c3c(c2c1)CCN(CC1CCCC1)C3 ZINC001175740827 1121444263 /nfs/dbraw/zinc/44/42/63/1121444263.db2.gz CCGOWCKBBOOPDK-UHFFFAOYSA-N 0 1 284.403 3.725 20 0 CHADMN Cn1c(CN2CCCC[C@H](F)C2)cc2ccccc21 ZINC001139868747 1121446397 /nfs/dbraw/zinc/44/63/97/1121446397.db2.gz XNXYMFUOMCHFJR-AWEZNQCLSA-N 0 1 260.356 3.502 20 0 CHADMN CCN(Cc1c(C)ccnc1N)[C@H](C)c1cccc(OC)c1 ZINC000893951217 1121446409 /nfs/dbraw/zinc/44/64/09/1121446409.db2.gz DYZZLIUQXZJWCK-CQSZACIVSA-N 0 1 299.418 3.564 20 0 CHADMN c1cc(Nc2ccc3ccncc3c2)n(-c2ccncc2)n1 ZINC001175704883 1121447854 /nfs/dbraw/zinc/44/78/54/1121447854.db2.gz JZNFNBZUEPXSAV-UHFFFAOYSA-N 0 1 287.326 3.559 20 0 CHADMN Cc1[nH]nc(CN(C)Cc2cccc(C(F)(F)F)c2)c1C ZINC000893967266 1121447948 /nfs/dbraw/zinc/44/79/48/1121447948.db2.gz ZARNYUQAAROJDD-UHFFFAOYSA-N 0 1 297.324 3.677 20 0 CHADMN Cc1ccc(CN2CCC23CCCC3)c(Cl)n1 ZINC000707142136 1121448568 /nfs/dbraw/zinc/44/85/68/1121448568.db2.gz ZWZXPNODWPVHQT-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN Cc1cc(CN2CCC23CCCC3)cc(Cl)n1 ZINC000707130804 1121449822 /nfs/dbraw/zinc/44/98/22/1121449822.db2.gz NWOFTKFOQPIYCN-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN C[C@@H]1CN(Cc2cc3ccnc(Cl)c3s2)CCCO1 ZINC000893995223 1121451297 /nfs/dbraw/zinc/45/12/97/1121451297.db2.gz HZAQSFKZRLPSFL-SNVBAGLBSA-N 0 1 296.823 3.561 20 0 CHADMN Cc1ncoc1CN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000894003742 1121453991 /nfs/dbraw/zinc/45/39/91/1121453991.db2.gz QDHBJEAOLWAIEZ-UHFFFAOYSA-N 0 1 292.329 3.641 20 0 CHADMN CCc1nc(NC(=O)c2ccc(Cl)cc2O)sc1C ZINC000048193400 1121456175 /nfs/dbraw/zinc/45/61/75/1121456175.db2.gz WROOVNBFVPZMLS-UHFFFAOYSA-N 0 1 296.779 3.625 20 0 CHADMN CSc1ccc(CN(C)[C@@H](CCO)c2ccccc2)o1 ZINC000894028081 1121457438 /nfs/dbraw/zinc/45/74/38/1121457438.db2.gz PWZQYYFLRAVEIK-HNNXBMFYSA-N 0 1 291.416 3.557 20 0 CHADMN COCc1cccc(CN2CCOc3ccccc3[C@H]2C)c1 ZINC000676715672 1121458922 /nfs/dbraw/zinc/45/89/22/1121458922.db2.gz DWUUQRLYMQPYGH-OAHLLOKOSA-N 0 1 297.398 3.789 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cnccc2C)c(F)c1 ZINC000631105484 1128985747 /nfs/dbraw/zinc/98/57/47/1128985747.db2.gz LSOQWBBWMVQVEL-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN CC(F)(F)C(C)(C)CNCc1csc(C2CC2)n1 ZINC000708185648 1121462582 /nfs/dbraw/zinc/46/25/82/1121462582.db2.gz FDDCTWUPHLTMNL-UHFFFAOYSA-N 0 1 274.380 3.792 20 0 CHADMN CC(C)(O)[C@@H]1CCCN1Cc1ccc(C(F)(F)F)s1 ZINC000432914872 1121476904 /nfs/dbraw/zinc/47/69/04/1121476904.db2.gz JMOHRMUUIOVXSS-JTQLQIEISA-N 0 1 293.354 3.502 20 0 CHADMN COc1c(O)cccc1CN(C)Cc1cc(C)ccc1C ZINC000432909379 1121478629 /nfs/dbraw/zinc/47/86/29/1121478629.db2.gz GBAKAKBXMOGNOO-UHFFFAOYSA-N 0 1 285.387 3.650 20 0 CHADMN Cc1[nH]nc(CNc2ccc(C(F)F)cc2)c1C ZINC000922904793 1121485886 /nfs/dbraw/zinc/48/58/86/1121485886.db2.gz ZMXVHLWMNQJSHG-UHFFFAOYSA-N 0 1 251.280 3.576 20 0 CHADMN c1cnc2c(c1)CC[C@@H](Nc1ccc3cnccc3c1)CC2 ZINC000631154801 1128987501 /nfs/dbraw/zinc/98/75/01/1128987501.db2.gz HYGDOXCPLLPCSP-QGZVFWFLSA-N 0 1 289.382 3.989 20 0 CHADMN CC(C)c1nc(CNCc2ccc(F)c3ccccc23)n[nH]1 ZINC000631149624 1128987750 /nfs/dbraw/zinc/98/77/50/1128987750.db2.gz SVIRZTMDXMRSRX-UHFFFAOYSA-N 0 1 298.365 3.510 20 0 CHADMN Fc1cccc(CCN2CCCC(F)(F)CC2)c1F ZINC000625770842 1121492729 /nfs/dbraw/zinc/49/27/29/1121492729.db2.gz VSRBSPNVOKZKKX-UHFFFAOYSA-N 0 1 275.289 3.629 20 0 CHADMN Fc1ccc(Cl)cc1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000625779427 1121494400 /nfs/dbraw/zinc/49/44/00/1121494400.db2.gz VDINLOXIYGCGGZ-OLZOCXBDSA-N 0 1 285.815 3.949 20 0 CHADMN CCc1nocc1CN1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000508810702 1121495130 /nfs/dbraw/zinc/49/51/30/1121495130.db2.gz IUUKSLAFOBLCJB-SJCJKPOMSA-N 0 1 288.366 3.959 20 0 CHADMN FC(F)(F)c1ccc2nc(SCc3cn[nH]c3)[nH]c2c1 ZINC000671655077 1121497275 /nfs/dbraw/zinc/49/72/75/1121497275.db2.gz RVEAYZDHQMBLRK-UHFFFAOYSA-N 0 1 298.293 3.597 20 0 CHADMN Cc1cc(-c2noc(-c3ccccc3F)n2)cc2nc[nH]c21 ZINC000545730783 1121499108 /nfs/dbraw/zinc/49/91/08/1121499108.db2.gz WEFLRAMKECKTBP-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN CSC[C@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000429278260 1121501329 /nfs/dbraw/zinc/50/13/29/1121501329.db2.gz XLQOSUSZSTUBFW-NSHDSACASA-N 0 1 271.376 3.540 20 0 CHADMN CCOc1ccc(CNCc2c(C)noc2CC)c(C)c1 ZINC000922983102 1121503647 /nfs/dbraw/zinc/50/36/47/1121503647.db2.gz XRSPNCUIQXOVJM-UHFFFAOYSA-N 0 1 288.391 3.542 20 0 CHADMN CCc1onc(C)c1CNCc1ccccc1C(C)C ZINC000922981365 1121505372 /nfs/dbraw/zinc/50/53/72/1121505372.db2.gz FHESUVPCUFHBDM-UHFFFAOYSA-N 0 1 272.392 3.959 20 0 CHADMN Cc1scc(CNCc2ccc(C)c(C)n2)c1C ZINC000631157031 1128988906 /nfs/dbraw/zinc/98/89/06/1128988906.db2.gz GHYXXCFGQPTKPM-UHFFFAOYSA-N 0 1 260.406 3.667 20 0 CHADMN O=C1C[C@@]2(CCCN([C@H]3C=CCCC3)C2)Oc2ccccc21 ZINC000625800944 1121509524 /nfs/dbraw/zinc/50/95/24/1121509524.db2.gz MWXZDVBCLLAIQZ-HNAYVOBHSA-N 0 1 297.398 3.595 20 0 CHADMN Fc1cc(C2CC2)ccc1CN[C@@H]1CCCc2n[nH]cc21 ZINC000425952412 1121511400 /nfs/dbraw/zinc/51/14/00/1121511400.db2.gz SOEFFMKEYPOWMJ-MRXNPFEDSA-N 0 1 285.366 3.593 20 0 CHADMN CCOc1ccc2ccccc2c1Nc1ccnc(CO)c1 ZINC001175983797 1121511567 /nfs/dbraw/zinc/51/15/67/1121511567.db2.gz YUMAKRJLBLCUBH-UHFFFAOYSA-N 0 1 294.354 3.869 20 0 CHADMN Cc1cccc2ccc(Nc3ccc4nn[nH]c4c3)nc12 ZINC001175995365 1121516498 /nfs/dbraw/zinc/51/64/98/1121516498.db2.gz BUOUVDOFNXDOTE-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1cccc2ccc(Nc3ccc4n[nH]nc4c3)nc12 ZINC001175995365 1121516504 /nfs/dbraw/zinc/51/65/04/1121516504.db2.gz BUOUVDOFNXDOTE-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN CC(C)(F)CNCc1cnc(-c2cccs2)s1 ZINC000631190167 1128990782 /nfs/dbraw/zinc/99/07/82/1128990782.db2.gz YNLXYFSVKQQVTH-UHFFFAOYSA-N 0 1 270.398 3.709 20 0 CHADMN c1cc2c(c(Nc3ccc4nn[nH]c4c3)c1)CCCC2 ZINC001176002297 1121519357 /nfs/dbraw/zinc/51/93/57/1121519357.db2.gz KKXTYVXBPAVXRN-UHFFFAOYSA-N 0 1 264.332 3.580 20 0 CHADMN c1cc2c(c(Nc3ccc4n[nH]nc4c3)c1)CCCC2 ZINC001176002297 1121519363 /nfs/dbraw/zinc/51/93/63/1121519363.db2.gz KKXTYVXBPAVXRN-UHFFFAOYSA-N 0 1 264.332 3.580 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCCC3(CC3)CC2)n1 ZINC000626113805 1121519514 /nfs/dbraw/zinc/51/95/14/1121519514.db2.gz HDSBAWVGVPJVJT-CYBMUJFWSA-N 0 1 277.412 3.739 20 0 CHADMN Cc1cc(Nc2ccc3nn[nH]c3c2)cc2scnc21 ZINC001176003211 1121520598 /nfs/dbraw/zinc/52/05/98/1121520598.db2.gz OFHYBQWKFLXNTG-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1cc(Nc2ccc3n[nH]nc3c2)cc2scnc21 ZINC001176003211 1121520607 /nfs/dbraw/zinc/52/06/07/1121520607.db2.gz OFHYBQWKFLXNTG-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN CC(C)c1ccc(Nc2ccc3nn[nH]c3c2)cc1 ZINC001176006155 1121520628 /nfs/dbraw/zinc/52/06/28/1121520628.db2.gz VEYRDXNSRDECEP-UHFFFAOYSA-N 0 1 252.321 3.825 20 0 CHADMN CC(C)c1ccc(Nc2ccc3n[nH]nc3c2)cc1 ZINC001176006155 1121520630 /nfs/dbraw/zinc/52/06/30/1121520630.db2.gz VEYRDXNSRDECEP-UHFFFAOYSA-N 0 1 252.321 3.825 20 0 CHADMN Fc1cc(F)c(Nc2ccc3nn[nH]c3c2)cc1Cl ZINC001176003430 1121520734 /nfs/dbraw/zinc/52/07/34/1121520734.db2.gz FSAKAENDVANWCU-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN Fc1cc(F)c(Nc2ccc3n[nH]nc3c2)cc1Cl ZINC001176003430 1121520737 /nfs/dbraw/zinc/52/07/37/1121520737.db2.gz FSAKAENDVANWCU-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN Fc1c(Cl)ccc(Nc2ccc3nn[nH]c3c2)c1F ZINC001176005497 1121520943 /nfs/dbraw/zinc/52/09/43/1121520943.db2.gz ZZMARQCIESJVRF-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN Fc1c(Cl)ccc(Nc2ccc3n[nH]nc3c2)c1F ZINC001176005497 1121520950 /nfs/dbraw/zinc/52/09/50/1121520950.db2.gz ZZMARQCIESJVRF-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN CC(=O)c1ccc(Nc2ccc3nn[nH]c3c2)c(Cl)c1 ZINC001176003558 1121521302 /nfs/dbraw/zinc/52/13/02/1121521302.db2.gz QVAJSHUCBLOHHG-UHFFFAOYSA-N 0 1 286.722 3.558 20 0 CHADMN CC(=O)c1ccc(Nc2ccc3n[nH]nc3c2)c(Cl)c1 ZINC001176003558 1121521303 /nfs/dbraw/zinc/52/13/03/1121521303.db2.gz QVAJSHUCBLOHHG-UHFFFAOYSA-N 0 1 286.722 3.558 20 0 CHADMN CC(C)C1CCC(N(C)Cc2ccn(C(F)F)n2)CC1 ZINC000433031454 1121527052 /nfs/dbraw/zinc/52/70/52/1121527052.db2.gz YXVVQHQSQJEGGK-UHFFFAOYSA-N 0 1 285.382 3.925 20 0 CHADMN CC(C)CCCN(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000429335754 1121530078 /nfs/dbraw/zinc/53/00/78/1121530078.db2.gz PGHFYNKACRAEOS-UHFFFAOYSA-N 0 1 271.408 3.945 20 0 CHADMN CC[C@](C)(NCc1cnccc1OC)c1ccc(F)cc1 ZINC000631195380 1128991620 /nfs/dbraw/zinc/99/16/20/1128991620.db2.gz WIJTZKCJKQDIPN-KRWDZBQOSA-N 0 1 288.366 3.644 20 0 CHADMN Cc1scc(CNCc2ccc(C(F)F)nc2)c1C ZINC000631205808 1128991953 /nfs/dbraw/zinc/99/19/53/1128991953.db2.gz FVMPZFWKPSOILQ-UHFFFAOYSA-N 0 1 282.359 3.987 20 0 CHADMN Cc1ncc([C@H](C)NCc2cc3ccccc3[nH]c2=O)s1 ZINC000631223508 1128992682 /nfs/dbraw/zinc/99/26/82/1128992682.db2.gz BPNRPCBQMGSSPT-JTQLQIEISA-N 0 1 299.399 3.556 20 0 CHADMN CCc1noc([C@@H](C)N2CC[C@H](c3ccc(CC)cc3)C2)n1 ZINC000433065024 1121548199 /nfs/dbraw/zinc/54/81/99/1121548199.db2.gz CWQXDKGJJCIBBP-CJNGLKHVSA-N 0 1 299.418 3.745 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CCC[C@H](c2ccccc2)C1 ZINC000433070111 1121548808 /nfs/dbraw/zinc/54/88/08/1121548808.db2.gz WZPPLOUECXKCNJ-CJNGLKHVSA-N 0 1 297.402 3.888 20 0 CHADMN Cc1ncc([C@H](C)NCc2cc(F)c(F)c(F)c2)s1 ZINC000631224060 1128993043 /nfs/dbraw/zinc/99/30/43/1128993043.db2.gz LXWKVFSIYLUXEJ-ZETCQYMHSA-N 0 1 286.322 3.720 20 0 CHADMN C[C@H](c1nc(-c2ccc3[nH]cnc3c2)no1)C(C)(C)C ZINC000545744953 1121558547 /nfs/dbraw/zinc/55/85/47/1121558547.db2.gz KKTZWVWVSHOONX-SECBINFHSA-N 0 1 270.336 3.763 20 0 CHADMN CCCOc1ccc(NCc2cnc[nH]2)cc1OCCC ZINC000894116685 1121562751 /nfs/dbraw/zinc/56/27/51/1121562751.db2.gz XYKFNZHUDZVUHA-UHFFFAOYSA-N 0 1 289.379 3.599 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccsc2C)s1 ZINC000631229242 1128993803 /nfs/dbraw/zinc/99/38/03/1128993803.db2.gz VUSWSTCXDZWBLC-MRVPVSSYSA-N 0 1 252.408 3.672 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCS[C@@H](C(F)(F)F)C1 ZINC001176176685 1121563637 /nfs/dbraw/zinc/56/36/37/1121563637.db2.gz RYEOOGZLETXDGY-DTWKUNHWSA-N 0 1 291.329 3.648 20 0 CHADMN CC[C@@H](C)CN(C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000509392926 1121567849 /nfs/dbraw/zinc/56/78/49/1121567849.db2.gz MUWZPKLVAJGCMT-VXGBXAGGSA-N 0 1 266.454 3.746 20 0 CHADMN CC[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)CCCO1 ZINC000467567919 1121571942 /nfs/dbraw/zinc/57/19/42/1121571942.db2.gz SFQYJNPLRKJILN-CQSZACIVSA-N 0 1 287.325 3.706 20 0 CHADMN CC(C)(C)c1cccc(OCCCSc2cn[nH]n2)c1 ZINC000466728047 1121575315 /nfs/dbraw/zinc/57/53/15/1121575315.db2.gz QVNLMFJSCABJII-UHFFFAOYSA-N 0 1 291.420 3.663 20 0 CHADMN CC(C)c1ocnc1CN(C)[C@@H]1CCc2ccccc2C1 ZINC000092796991 1121575499 /nfs/dbraw/zinc/57/54/99/1121575499.db2.gz YGFLZSABOGWIPP-MRXNPFEDSA-N 0 1 284.403 3.787 20 0 CHADMN Cc1c([C@H](C)N[C@H]2CC23CCCC3)nnn1-c1ccccc1 ZINC000429432361 1121579693 /nfs/dbraw/zinc/57/96/93/1121579693.db2.gz OCWLAGYPEXGECX-BBRMVZONSA-N 0 1 296.418 3.559 20 0 CHADMN Cc1ccc(CN(C)CCSCc2ccccc2)nc1 ZINC000619534964 1128996305 /nfs/dbraw/zinc/99/63/05/1128996305.db2.gz ULCLEWVFFCOKHW-UHFFFAOYSA-N 0 1 286.444 3.755 20 0 CHADMN Fc1cccc(CN(C/C=C\Cl)C2CCC2)c1 ZINC001176304923 1121605361 /nfs/dbraw/zinc/60/53/61/1121605361.db2.gz UGUPLHAFOGHFAP-BAQGIRSFSA-N 0 1 253.748 3.933 20 0 CHADMN CC(C)[C@@H]1C[C@@H](N[C@@H](CF)c2ccc(F)cc2)CCO1 ZINC000631283717 1128996694 /nfs/dbraw/zinc/99/66/94/1128996694.db2.gz MASNZLGFHBPSER-JYJNAYRXSA-N 0 1 283.362 3.630 20 0 CHADMN CC[C@@H](NCc1ccoc1)c1cccc(OC)c1OC ZINC000631264592 1128996951 /nfs/dbraw/zinc/99/69/51/1128996951.db2.gz MEZXFCDXMQRTBO-CQSZACIVSA-N 0 1 275.348 3.538 20 0 CHADMN CCN(c1ccc(N[C@H](C)c2cnn(C)c2)cc1)C(C)C ZINC000182774073 1128997221 /nfs/dbraw/zinc/99/72/21/1128997221.db2.gz GVWPPRCATUKCKX-CQSZACIVSA-N 0 1 286.423 3.828 20 0 CHADMN C[C@H](NCc1scnc1C1CC1)c1cccc(O)c1 ZINC000487217077 1121617602 /nfs/dbraw/zinc/61/76/02/1121617602.db2.gz QPASIBWLWKOGLX-JTQLQIEISA-N 0 1 274.389 3.577 20 0 CHADMN CCc1nnc(CN(C)[C@H]2CCCC[C@H]2c2ccccc2)o1 ZINC000411997390 1121635305 /nfs/dbraw/zinc/63/53/05/1121635305.db2.gz HXGSNFHYHGQLIV-HOTGVXAUSA-N 0 1 299.418 3.790 20 0 CHADMN Cc1cc([C@@H]2CCCCN2Cc2cnc(Cl)s2)n[nH]1 ZINC001176486797 1121637195 /nfs/dbraw/zinc/63/71/95/1121637195.db2.gz YAMCQBHGHLLMQH-LBPRGKRZSA-N 0 1 296.827 3.555 20 0 CHADMN COc1cccc([C@@H](C)NCc2ccc(-c3cc[nH]n3)o2)c1 ZINC000433315163 1121644383 /nfs/dbraw/zinc/64/43/83/1121644383.db2.gz DARCSQBFPKMQRJ-GFCCVEGCSA-N 0 1 297.358 3.529 20 0 CHADMN CCc1nocc1CN[C@@H](CC1CC1)c1ccccc1 ZINC000660194700 1128999880 /nfs/dbraw/zinc/99/98/80/1128999880.db2.gz JCCLEFNYKWLFSC-KRWDZBQOSA-N 0 1 270.376 3.868 20 0 CHADMN COc1cc(C)ccc1CNCc1cc2ccccc2[nH]1 ZINC000433344230 1121651878 /nfs/dbraw/zinc/65/18/78/1121651878.db2.gz QWJHIHQPTBKYQH-UHFFFAOYSA-N 0 1 280.371 3.775 20 0 CHADMN CCc1cnc(CN2CC[C@H](c3cccc(F)c3)C2)s1 ZINC000571324458 1121653068 /nfs/dbraw/zinc/65/30/68/1121653068.db2.gz YJXXXGUZVWTQOM-ZDUSSCGKSA-N 0 1 290.407 3.834 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1nccc2c1CCCC2 ZINC000894141899 1121654507 /nfs/dbraw/zinc/65/45/07/1121654507.db2.gz JSNMXIDRWQIKPX-RISCZKNCSA-N 0 1 298.352 3.733 20 0 CHADMN CC(C)c1nnc(CN(C)[C@H]2CCC[C@H]2C(C)(C)C)o1 ZINC000419326019 1121655794 /nfs/dbraw/zinc/65/57/94/1121655794.db2.gz LNWHBZHWPNRIQV-OLZOCXBDSA-N 0 1 279.428 3.840 20 0 CHADMN COc1ccc(F)c(CN2CC[C@H]2Cc2ccccc2)c1 ZINC000508811934 1121657435 /nfs/dbraw/zinc/65/74/35/1121657435.db2.gz MNGVFCGALBJJGM-INIZCTEOSA-N 0 1 285.362 3.651 20 0 CHADMN Cc1cccc(CN(C)[C@@H](C)C(=O)Nc2ccccc2)c1C ZINC000428751272 1121658266 /nfs/dbraw/zinc/65/82/66/1121658266.db2.gz RXOPUXDTFNDMOK-INIZCTEOSA-N 0 1 296.414 3.762 20 0 CHADMN Cc1cc(C[N@@H+]2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)on1 ZINC000451140752 1121662569 /nfs/dbraw/zinc/66/25/69/1121662569.db2.gz CLPWBZQZCVWERA-HBNTYKKESA-N 0 1 276.302 3.534 20 0 CHADMN Cc1cc(CN2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)on1 ZINC000451140752 1121662573 /nfs/dbraw/zinc/66/25/73/1121662573.db2.gz CLPWBZQZCVWERA-HBNTYKKESA-N 0 1 276.302 3.534 20 0 CHADMN COc1ccc2nc(SCc3cnccc3C)[nH]c2c1 ZINC000433400196 1121663863 /nfs/dbraw/zinc/66/38/63/1121663863.db2.gz MCDMMFFOPOASFW-UHFFFAOYSA-N 0 1 285.372 3.567 20 0 CHADMN COc1ccc([C@@H](C)NCC=C(Cl)Cl)cc1C ZINC001176629811 1121665054 /nfs/dbraw/zinc/66/50/54/1121665054.db2.gz VRIKOGSQRPLLAW-SNVBAGLBSA-N 0 1 274.191 3.973 20 0 CHADMN Cc1nc2ccccc2nc1CN1CCc2ccsc2C1 ZINC000270859468 1121667223 /nfs/dbraw/zinc/66/72/23/1121667223.db2.gz HZVOORUOHQBMJR-UHFFFAOYSA-N 0 1 295.411 3.558 20 0 CHADMN C[C@]1(O)CCC[N@@H+](Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000894146341 1121668300 /nfs/dbraw/zinc/66/83/00/1121668300.db2.gz VETBEXXUDCMVJT-HNNXBMFYSA-N 0 1 287.325 3.500 20 0 CHADMN Cc1ncoc1CN[C@H](c1ccc(F)cc1)C(C)C ZINC000894158143 1121678002 /nfs/dbraw/zinc/67/80/02/1121678002.db2.gz OUNZLEMBHHJJIG-HNNXBMFYSA-N 0 1 262.328 3.609 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CCC(CC)CC1 ZINC000052280175 1121682889 /nfs/dbraw/zinc/68/28/89/1121682889.db2.gz XFKJAEXVHBBLJK-UHFFFAOYSA-N 0 1 288.435 3.618 20 0 CHADMN c1c(-c2ccccc2)n[nH]c1-c1nc([C@H]2CCCS2)no1 ZINC000274050072 1121683654 /nfs/dbraw/zinc/68/36/54/1121683654.db2.gz CZPRCLYKGQXHBQ-CYBMUJFWSA-N 0 1 298.371 3.695 20 0 CHADMN Cc1ncoc1CN[C@H](c1ccc(C)cc1)C1CC1 ZINC000894165105 1121689128 /nfs/dbraw/zinc/68/91/28/1121689128.db2.gz HYDVHGZHRJPSHF-MRXNPFEDSA-N 0 1 256.349 3.532 20 0 CHADMN CCCOc1ccc(OCCN(C)Cc2ccoc2)cc1 ZINC000345088572 1121694070 /nfs/dbraw/zinc/69/40/70/1121694070.db2.gz DJULXYYSVZDPSD-UHFFFAOYSA-N 0 1 289.375 3.579 20 0 CHADMN CCC1CCN(Cc2nc(-c3ccccc3C)no2)CC1 ZINC000052279534 1121698213 /nfs/dbraw/zinc/69/82/13/1121698213.db2.gz WQOHWYKHRQKYIK-UHFFFAOYSA-N 0 1 285.391 3.667 20 0 CHADMN CCC1CCN([C@H](C)C(=O)Nc2cc(F)ccc2C)CC1 ZINC000052280068 1121698304 /nfs/dbraw/zinc/69/83/04/1121698304.db2.gz ILCGRVPPJIFYCB-CYBMUJFWSA-N 0 1 292.398 3.583 20 0 CHADMN Cc1cc(OCc2coc(-c3cccs3)n2)cc(C)n1 ZINC000152796379 1129003793 /nfs/dbraw/zinc/00/37/93/1129003793.db2.gz BDCYEXKZVDFTSP-UHFFFAOYSA-N 0 1 286.356 3.994 20 0 CHADMN Cc1cc(CNCc2ccccc2F)cc2cccnc12 ZINC001177117013 1121710898 /nfs/dbraw/zinc/71/08/98/1121710898.db2.gz FLSWBFKNNXVDRX-UHFFFAOYSA-N 0 1 280.346 3.972 20 0 CHADMN CSCC1CCC(N[C@@H]2CCCC2(F)F)CC1 ZINC000398147521 1121711212 /nfs/dbraw/zinc/71/12/12/1121711212.db2.gz YBHIUGMAGNNVCA-HTAVTVPLSA-N 0 1 263.397 3.686 20 0 CHADMN Cc1cc(F)c(CNCCCOc2ccccc2)c(F)c1 ZINC001177148470 1121714965 /nfs/dbraw/zinc/71/49/65/1121714965.db2.gz HEJXSXRXNVFBGX-UHFFFAOYSA-N 0 1 291.341 3.832 20 0 CHADMN Cc1cccc(NCC2([C@H]3CCCCO3)CCC2)n1 ZINC000631510172 1129004286 /nfs/dbraw/zinc/00/42/86/1129004286.db2.gz CFKWXIDAQUQABO-CQSZACIVSA-N 0 1 260.381 3.541 20 0 CHADMN CCCN1Cc2cccc(NC(=O)C=C3CCCC3)c2C1 ZINC000727340739 1121716693 /nfs/dbraw/zinc/71/66/93/1121716693.db2.gz DZLVWYXDHAALMY-UHFFFAOYSA-N 0 1 284.403 3.851 20 0 CHADMN CC[C@H](C)C(=O)Nc1cccc(CNCc2ccoc2)c1 ZINC000727468443 1121722971 /nfs/dbraw/zinc/72/29/71/1121722971.db2.gz JPLIVEHRTLXJPX-ZDUSSCGKSA-N 0 1 286.375 3.554 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OC[C@@H]1CC=CCC1 ZINC000727633393 1121727931 /nfs/dbraw/zinc/72/79/31/1121727931.db2.gz JEPNFXPVUAIUAT-CQSZACIVSA-N 0 1 296.370 3.898 20 0 CHADMN C[C@H](c1nc([C@@H]2Cc3ccccc32)no1)N1CCCCCC1 ZINC000527198201 1121729548 /nfs/dbraw/zinc/72/95/48/1121729548.db2.gz QJHCXOVMFAFREH-CZUORRHYSA-N 0 1 297.402 3.695 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227830111 1121730489 /nfs/dbraw/zinc/73/04/89/1121730489.db2.gz PBAAYJAVAGCYOS-NHYWBVRUSA-N 0 1 281.783 3.588 20 0 CHADMN CCCOc1ncccc1CNCc1ccc2c(c1)CCC2 ZINC001177501037 1121733396 /nfs/dbraw/zinc/73/33/96/1121733396.db2.gz AGNDPSDXPIYMFK-UHFFFAOYSA-N 0 1 296.414 3.649 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N1CCN(CC2CC2)CC1 ZINC000727672634 1121733993 /nfs/dbraw/zinc/73/39/93/1121733993.db2.gz CDBHGCHGRJVTLR-INIZCTEOSA-N 0 1 294.483 3.537 20 0 CHADMN CCn1cnc(Cl)c1CN[C@@H]1CCc2cc(C)ccc21 ZINC001177650484 1121744407 /nfs/dbraw/zinc/74/44/07/1121744407.db2.gz GZPDRAOSTCWKBC-CQSZACIVSA-N 0 1 289.810 3.642 20 0 CHADMN Cc1c[nH]c(CN[C@@H](Cc2ccccc2)c2cccs2)n1 ZINC001177816915 1121749705 /nfs/dbraw/zinc/74/97/05/1121749705.db2.gz WBVZCNXKBSRBKF-HNNXBMFYSA-N 0 1 297.427 3.853 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H]1CCCc2ncccc21 ZINC000631562432 1129006870 /nfs/dbraw/zinc/00/68/70/1129006870.db2.gz DZANIUMFMSNZMP-SUMWQHHRSA-N 0 1 282.387 3.818 20 0 CHADMN C[C@H](N[C@@H]1C=CCC1)c1sccc1Br ZINC000698325039 1121755813 /nfs/dbraw/zinc/75/58/13/1121755813.db2.gz AECNUPSDJVZHCX-DTWKUNHWSA-N 0 1 272.211 3.880 20 0 CHADMN Clc1ccccc1CN[C@@H]1CCCc2ncccc21 ZINC000631561434 1129007173 /nfs/dbraw/zinc/00/71/73/1129007173.db2.gz FAAVRGHKNNUOPF-MRXNPFEDSA-N 0 1 272.779 3.902 20 0 CHADMN Cc1cc(CNCc2ccc(-c3ccccc3)cc2)[nH]n1 ZINC001177919636 1121756866 /nfs/dbraw/zinc/75/68/66/1121756866.db2.gz NSNLXHGHBALQJA-UHFFFAOYSA-N 0 1 277.371 3.675 20 0 CHADMN CCN(c1ccc(NCc2nccn2CC)cc1)C(C)C ZINC001178124309 1121769360 /nfs/dbraw/zinc/76/93/60/1121769360.db2.gz AOYSTOLGMBSBHO-UHFFFAOYSA-N 0 1 286.423 3.750 20 0 CHADMN c1c2ccccc2oc1CN[C@H]1CCCc2ncccc21 ZINC000631572018 1129007973 /nfs/dbraw/zinc/00/79/73/1129007973.db2.gz MDRIRDKNTNWJQB-KRWDZBQOSA-N 0 1 278.355 3.995 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@@H](C)c1c(C)noc1C)CCC2 ZINC000168225252 1121770004 /nfs/dbraw/zinc/77/00/04/1121770004.db2.gz FXOZEWMAKNBAOL-UFBFGSQYSA-N 0 1 291.420 3.785 20 0 CHADMN CCC(C)(C)NC(=O)[C@@H](C)N1CCC[C@@H]1c1ccsc1 ZINC000052804047 1121772202 /nfs/dbraw/zinc/77/22/02/1121772202.db2.gz KNAXIZNQNWYROJ-TZMCWYRMSA-N 0 1 294.464 3.578 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3ncccc31)CCO2 ZINC000631593688 1129011769 /nfs/dbraw/zinc/01/17/69/1129011769.db2.gz LCLGJDNHHZWLAY-SJORKVTESA-N 0 1 298.361 3.712 20 0 CHADMN CCC/C=C\C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000729346738 1121780020 /nfs/dbraw/zinc/78/00/20/1121780020.db2.gz CXZGKQQBJDYUAR-QZDDGCDVSA-N 0 1 299.374 3.709 20 0 CHADMN COc1ccc2c(c1)CC[C@H]2NCc1ccc(F)cc1F ZINC000631575131 1129008703 /nfs/dbraw/zinc/00/87/03/1129008703.db2.gz AODYZEWSNZKLNY-QGZVFWFLSA-N 0 1 289.325 3.751 20 0 CHADMN Cc1ccc(C)c([C@@H](C)NCc2cnc(C3CC3)nc2)c1 ZINC001178370487 1121781556 /nfs/dbraw/zinc/78/15/56/1121781556.db2.gz ZDFDPRFTXOZLSI-CQSZACIVSA-N 0 1 281.403 3.822 20 0 CHADMN CCC[C@H](N[C@@H]1CCCc2ncccc21)c1ccccn1 ZINC000631574916 1129008760 /nfs/dbraw/zinc/00/87/60/1129008760.db2.gz GSRMETQNKPMSSQ-AEFFLSMTSA-N 0 1 281.403 3.985 20 0 CHADMN CC1(C)CC(C)(C)c2cc(NCc3cnc[nH]3)ccc21 ZINC001178377939 1121781908 /nfs/dbraw/zinc/78/19/08/1121781908.db2.gz WNWZHCXXBCNLHH-UHFFFAOYSA-N 0 1 269.392 3.981 20 0 CHADMN Cc1ccc(O)c(CN[C@H](C)c2cc(Cl)ccc2F)n1 ZINC001178361541 1121783366 /nfs/dbraw/zinc/78/33/66/1121783366.db2.gz WMZIGRPSYCAHPR-SNVBAGLBSA-N 0 1 294.757 3.739 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2n[nH]c(C(C)C)n2)cc1C ZINC001178409831 1121785891 /nfs/dbraw/zinc/78/58/91/1121785891.db2.gz WNUWDRNDQAMXGV-CQSZACIVSA-N 0 1 286.423 3.704 20 0 CHADMN CC(C)c1nc([C@H](C)NCc2ccc(Cl)c(F)c2)n[nH]1 ZINC001178410008 1121786876 /nfs/dbraw/zinc/78/68/76/1121786876.db2.gz ZXIOEYVCMDOJLV-VIFPVBQESA-N 0 1 296.777 3.571 20 0 CHADMN C[C@H](NCc1cncnc1)c1csc2ccccc21 ZINC000730019593 1121790496 /nfs/dbraw/zinc/79/04/96/1121790496.db2.gz MJOOMIAUYAANRY-NSHDSACASA-N 0 1 269.373 3.542 20 0 CHADMN C[C@@H](NCc1cncnc1)c1csc2ccccc21 ZINC000730019592 1121791124 /nfs/dbraw/zinc/79/11/24/1121791124.db2.gz MJOOMIAUYAANRY-LLVKDONJSA-N 0 1 269.373 3.542 20 0 CHADMN COc1ccccc1[C@H]1CCCCN1C/C=C\Cl ZINC000730062098 1121791280 /nfs/dbraw/zinc/79/12/80/1121791280.db2.gz IUAKTXDMFOIRCH-LBIZBFCRSA-N 0 1 265.784 3.975 20 0 CHADMN Fc1ccccc1[C@H]1CCN(Cc2ccc(Cl)nc2)C1 ZINC000730432332 1121809538 /nfs/dbraw/zinc/80/95/38/1121809538.db2.gz CYCDYEFXLUWFEA-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN COc1ccncc1CNC/C=C/c1c(C)cc(C)cc1C ZINC001178783561 1121814515 /nfs/dbraw/zinc/81/45/15/1121814515.db2.gz SYHXOPCBYDKYHP-AATRIKPKSA-N 0 1 296.414 3.818 20 0 CHADMN Cc1ccc(CNCc2ccc3cnn(C)c3c2)c(Cl)c1 ZINC001178790996 1121818154 /nfs/dbraw/zinc/81/81/54/1121818154.db2.gz LFRHSIMSRCDVHX-UHFFFAOYSA-N 0 1 299.805 3.825 20 0 CHADMN CCOc1cc(CNCc2ccoc2C)cc(Cl)c1O ZINC000619766528 1129011269 /nfs/dbraw/zinc/01/12/69/1129011269.db2.gz RZYJNIVEUNHEBU-UHFFFAOYSA-N 0 1 295.766 3.636 20 0 CHADMN Fc1cccc2c1CCC[C@@H]2NCc1cccc2c1OCC2 ZINC001178831020 1121822564 /nfs/dbraw/zinc/82/25/64/1121822564.db2.gz FARIYKMADNRMQQ-SFHVURJKSA-N 0 1 297.373 3.928 20 0 CHADMN c1coc(CNc2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC001178901338 1121830145 /nfs/dbraw/zinc/83/01/45/1121830145.db2.gz PQYHMHYSNMTGJV-UHFFFAOYSA-N 0 1 290.326 3.830 20 0 CHADMN CCC[C@H](NCc1cncc(C)c1)c1cc(C)ccn1 ZINC000631602966 1129012263 /nfs/dbraw/zinc/01/22/63/1129012263.db2.gz PGCYBACUOUMCBK-INIZCTEOSA-N 0 1 269.392 3.724 20 0 CHADMN CC(C)SCC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000619779514 1129012738 /nfs/dbraw/zinc/01/27/38/1129012738.db2.gz HXJPYEAGPAOPIF-AWEZNQCLSA-N 0 1 253.386 3.714 20 0 CHADMN CC(C)SCCN1CC[C@H]1c1cccc(F)c1 ZINC000619779514 1129012741 /nfs/dbraw/zinc/01/27/41/1129012741.db2.gz HXJPYEAGPAOPIF-AWEZNQCLSA-N 0 1 253.386 3.714 20 0 CHADMN CCc1ccc(NS(=O)(=O)c2cc(C)oc2C)cc1C ZINC000345101851 1121841347 /nfs/dbraw/zinc/84/13/47/1121841347.db2.gz KMJXTOQLDNKNAR-UHFFFAOYSA-N 0 1 293.388 3.568 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1c[nH]c2ccccc12 ZINC001179047145 1121843350 /nfs/dbraw/zinc/84/33/50/1121843350.db2.gz BGIURAWLMYNZTF-UHFFFAOYSA-N 0 1 287.407 3.619 20 0 CHADMN CC(C)c1cc(C(=O)N(C)C2CCC(C)(C)CC2)n[nH]1 ZINC000152949234 1129013372 /nfs/dbraw/zinc/01/33/72/1129013372.db2.gz HLVJGZULVSAPEY-UHFFFAOYSA-N 0 1 277.412 3.574 20 0 CHADMN C[C@@H](O)[C@H](NCc1cccc2[nH]ccc21)c1ccccc1F ZINC001179081333 1121847336 /nfs/dbraw/zinc/84/73/36/1121847336.db2.gz FFUSDCRCXQOLBA-XIKOKIGWSA-N 0 1 298.361 3.519 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)C12CCC(CC1)C2 ZINC000345147443 1121853199 /nfs/dbraw/zinc/85/31/99/1121853199.db2.gz BRDVFXQBDXPXKN-UHFFFAOYSA-N 0 1 265.740 3.564 20 0 CHADMN CCCCCCC(=O)N1CCCC[C@@H]1c1cc(C)[nH]n1 ZINC001179151840 1121853606 /nfs/dbraw/zinc/85/36/06/1121853606.db2.gz HIHKIGDYFPROMR-OAHLLOKOSA-N 0 1 277.412 3.742 20 0 CHADMN C[Si](C)(C)CN1CCO[C@H](c2ccccc2Cl)C1 ZINC000731213167 1121853923 /nfs/dbraw/zinc/85/39/23/1121853923.db2.gz MCOKTGDIGYRUKL-AWEZNQCLSA-N 0 1 283.875 3.591 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)C[C@H]2CCC[C@H]2C)n[nH]1 ZINC001179152900 1121855771 /nfs/dbraw/zinc/85/57/71/1121855771.db2.gz ZFCKSWFDZWFTHB-XPKDYRNWSA-N 0 1 289.423 3.598 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccccc1)c1cccc(F)c1F ZINC000345185309 1121856301 /nfs/dbraw/zinc/85/63/01/1121856301.db2.gz LKXGGBJVMHQOAM-WBMJQRKESA-N 0 1 291.341 3.739 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCC[C@H]2C)n[nH]1 ZINC001179160300 1121856951 /nfs/dbraw/zinc/85/69/51/1121856951.db2.gz MIYRPIVKHJPQGK-INWMFGNUSA-N 0 1 289.423 3.598 20 0 CHADMN Fc1cccc2c1OCC[C@H]2N[C@@H]1CCCc2ncccc21 ZINC000631620736 1129014429 /nfs/dbraw/zinc/01/44/29/1129014429.db2.gz HDEIPCZCLAKTGF-IAGOWNOFSA-N 0 1 298.361 3.712 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(C3CCC3)cc2)n(C)n1 ZINC000631625064 1129015211 /nfs/dbraw/zinc/01/52/11/1129015211.db2.gz FZCXBMQACJOLQJ-AWEZNQCLSA-N 0 1 283.419 3.847 20 0 CHADMN Oc1ccc(Cl)c(CNC/C=C\c2ccc(F)cc2)c1 ZINC001179457233 1121881674 /nfs/dbraw/zinc/88/16/74/1121881674.db2.gz DFKZLXRDYFXDLJ-UPHRSURJSA-N 0 1 291.753 3.988 20 0 CHADMN Cc1ccc(CNCc2noc3ccccc23)c(C)c1 ZINC001179570891 1121889383 /nfs/dbraw/zinc/88/93/83/1121889383.db2.gz POTHMYFCOCVVGC-UHFFFAOYSA-N 0 1 266.344 3.734 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1ccc2ccccc2n1 ZINC000731863743 1121890479 /nfs/dbraw/zinc/89/04/79/1121890479.db2.gz BHPYWZBKRFLXFL-UHFFFAOYSA-N 0 1 299.418 3.685 20 0 CHADMN CCc1ccc([C@H](COC)NC/C=C/c2ccccc2)o1 ZINC000236983886 1121891085 /nfs/dbraw/zinc/89/10/85/1121891085.db2.gz FCRHMSRHRQFPCK-JEJOPICUSA-N 0 1 285.387 3.833 20 0 CHADMN Clc1ccccc1CNc1cnccc1-n1cccn1 ZINC000345692440 1121905727 /nfs/dbraw/zinc/90/57/27/1121905727.db2.gz MDENKQKQEPCIBW-UHFFFAOYSA-N 0 1 284.750 3.533 20 0 CHADMN Cc1nc2ccccn2c1CN1CC[C@@H]1c1ccccc1 ZINC000345770350 1121913951 /nfs/dbraw/zinc/91/39/51/1121913951.db2.gz LDJKUWVXJPYNJC-MRXNPFEDSA-N 0 1 277.371 3.590 20 0 CHADMN CCOc1cccc(F)c1CN1CCC[C@H]1CSC ZINC001179854922 1121915741 /nfs/dbraw/zinc/91/57/41/1121915741.db2.gz KPDMYKCTJBUIOO-LBPRGKRZSA-N 0 1 283.412 3.552 20 0 CHADMN c1ccc([C@H](N[C@H]2CCCc3ncccc32)C2CCC2)nc1 ZINC000631652988 1129018228 /nfs/dbraw/zinc/01/82/28/1129018228.db2.gz VTAFJYSGOXBANN-PKOBYXMFSA-N 0 1 293.414 3.985 20 0 CHADMN CCN(Cc1ccc(F)cn1)[C@@H](C)c1ccc(F)cc1 ZINC000345811706 1121920110 /nfs/dbraw/zinc/92/01/10/1121920110.db2.gz MRUIKMVMDGJMNR-LBPRGKRZSA-N 0 1 276.330 3.943 20 0 CHADMN CCC[C@H](C)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732542858 1121924731 /nfs/dbraw/zinc/92/47/31/1121924731.db2.gz VCGIHKVFDBDSAV-VHSXEESVSA-N 0 1 293.798 3.830 20 0 CHADMN CCC(C)(C)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732544203 1121925073 /nfs/dbraw/zinc/92/50/73/1121925073.db2.gz PAHOAATWIVMZBZ-VIFPVBQESA-N 0 1 293.798 3.830 20 0 CHADMN CCC[C@H](C)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732542856 1121925317 /nfs/dbraw/zinc/92/53/17/1121925317.db2.gz VCGIHKVFDBDSAV-UWVGGRQHSA-N 0 1 293.798 3.830 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)Cc3ccc(C)c(F)c3)ccc12 ZINC001179938337 1121927260 /nfs/dbraw/zinc/92/72/60/1121927260.db2.gz DFWMUWUGJIPRBC-UHFFFAOYSA-N 0 1 297.333 3.500 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1ncccc1F ZINC001179935560 1121927279 /nfs/dbraw/zinc/92/72/79/1121927279.db2.gz BFALGYLDUMGXMK-GFCCVEGCSA-N 0 1 292.785 3.937 20 0 CHADMN Fc1ccc([C@H](N[C@H]2CCCC23CC3)c2ncc[nH]2)cc1 ZINC000631663017 1129019058 /nfs/dbraw/zinc/01/90/58/1129019058.db2.gz HKTYPORYFMUDEY-GJZGRUSLSA-N 0 1 285.366 3.561 20 0 CHADMN COc1cc(CN2C[C@H](C)OC(C)(C)C2)cc2ccccc21 ZINC001180039485 1121940820 /nfs/dbraw/zinc/94/08/20/1121940820.db2.gz ZBLRJSRQQQCMBW-AWEZNQCLSA-N 0 1 299.414 3.848 20 0 CHADMN CCOc1ccc(NCc2ccc3nc[nH]c3c2)cc1 ZINC000732819410 1121940924 /nfs/dbraw/zinc/94/09/24/1121940924.db2.gz XFAXVLGJBHBKEH-UHFFFAOYSA-N 0 1 267.332 3.574 20 0 CHADMN C[C@@H](Cc1cccs1)[N@@H+](C)Cc1ccc([O-])c(F)c1F ZINC001180057449 1121944219 /nfs/dbraw/zinc/94/42/19/1121944219.db2.gz FCYGRLGIHLKKJR-JTQLQIEISA-N 0 1 297.370 3.795 20 0 CHADMN COc1cnc(F)c(CN2CCC[C@H]2CCC(C)C)c1 ZINC001180136417 1121951003 /nfs/dbraw/zinc/95/10/03/1121951003.db2.gz BJJMCFXSEICWEX-AWEZNQCLSA-N 0 1 280.387 3.630 20 0 CHADMN C[C@H](NC[C@@]1(O)CCCC(C)(C)CC1)c1cscn1 ZINC000631679604 1129020890 /nfs/dbraw/zinc/02/08/90/1129020890.db2.gz KSTDXXOLJPMMGY-SWLSCSKDSA-N 0 1 282.453 3.515 20 0 CHADMN CCC[C@]1(C)CCC[N@H+](Cc2ccc([O-])c(F)c2)C1 ZINC001180203350 1121963194 /nfs/dbraw/zinc/96/31/94/1121963194.db2.gz PRVJDDXLAJLEDA-MRXNPFEDSA-N 0 1 265.372 3.934 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](Cc2ccc([O-])c(F)c2)C1 ZINC001180203350 1121963201 /nfs/dbraw/zinc/96/32/01/1121963201.db2.gz PRVJDDXLAJLEDA-MRXNPFEDSA-N 0 1 265.372 3.934 20 0 CHADMN COC1(CN2CCc3c(F)cc(F)cc3C2)CCCCC1 ZINC001180218518 1121963641 /nfs/dbraw/zinc/96/36/41/1121963641.db2.gz BLQBEIBUJXNSLU-UHFFFAOYSA-N 0 1 295.373 3.672 20 0 CHADMN CCC[C@@H](CC1CCCC1)C(=O)NCc1cc(CC)[nH]n1 ZINC000733260313 1121970057 /nfs/dbraw/zinc/97/00/57/1121970057.db2.gz DTWBDSSUFSAAMO-AWEZNQCLSA-N 0 1 291.439 3.585 20 0 CHADMN CO[C@H](CN[C@@H](C)c1ccc(Cl)cc1)C(F)(F)F ZINC000733323116 1121976177 /nfs/dbraw/zinc/97/61/77/1121976177.db2.gz FNFGDRGXTLBSBY-GZMMTYOYSA-N 0 1 281.705 3.568 20 0 CHADMN CO[C@@H](CNCc1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC000733329490 1121977294 /nfs/dbraw/zinc/97/72/94/1121977294.db2.gz UHUFIJMDLUSLBQ-ZDUSSCGKSA-N 0 1 289.341 3.651 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H](C)c1cnc(C)s1 ZINC000631707837 1129022367 /nfs/dbraw/zinc/02/23/67/1129022367.db2.gz KSACPQZWQBGETI-IUCAKERBSA-N 0 1 282.434 3.933 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)cn1 ZINC000894246955 1121978154 /nfs/dbraw/zinc/97/81/54/1121978154.db2.gz UZLGGLQPFNGAEI-QGZVFWFLSA-N 0 1 295.430 3.665 20 0 CHADMN CC(C)COC1CN(C[C@@H](c2ccccc2)C(C)C)C1 ZINC001180345313 1121978342 /nfs/dbraw/zinc/97/83/42/1121978342.db2.gz UTUDYVRIGJAICX-GOSISDBHSA-N 0 1 275.436 3.783 20 0 CHADMN C[C@]1(F)CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000501428722 1121978787 /nfs/dbraw/zinc/97/87/87/1121978787.db2.gz UKDXSFCLUNHFRW-KRWDZBQOSA-N 0 1 273.351 3.653 20 0 CHADMN C[C@]1(F)CCN(CCOc2ccc3ccccc3c2)C1 ZINC000501428722 1121978798 /nfs/dbraw/zinc/97/87/98/1121978798.db2.gz UKDXSFCLUNHFRW-KRWDZBQOSA-N 0 1 273.351 3.653 20 0 CHADMN COC[C@@H](NC/C(C)=C\c1ccccc1)c1ccc(C)o1 ZINC000501450061 1121980051 /nfs/dbraw/zinc/98/00/51/1121980051.db2.gz LDNATJKGFOFWID-VWILAXROSA-N 0 1 285.387 3.969 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](C)c2cnc(C)s2)s1 ZINC000631706857 1129022598 /nfs/dbraw/zinc/02/25/98/1129022598.db2.gz BPJOBMISDHQHIC-OCAPTIKFSA-N 0 1 267.423 3.628 20 0 CHADMN CC[C@@H]1C[C@@H](N[C@H](C)c2nc3ccccc3s2)CO1 ZINC000688522620 1129022653 /nfs/dbraw/zinc/02/26/53/1129022653.db2.gz GCLJDPKXJNYTLM-IJLUTSLNSA-N 0 1 276.405 3.514 20 0 CHADMN CCN(CC)CC(=O)Nc1ccccc1SC(C)(C)C ZINC001180389554 1121982799 /nfs/dbraw/zinc/98/27/99/1121982799.db2.gz KZGLQFNHWOKTKI-UHFFFAOYSA-N 0 1 294.464 3.858 20 0 CHADMN CC[C@@H](OC(=O)c1cc(-c2ccco2)n[nH]1)c1ccccc1 ZINC000733435420 1121988921 /nfs/dbraw/zinc/98/89/21/1121988921.db2.gz ZXPBVSPCIYNVIX-OAHLLOKOSA-N 0 1 296.326 3.978 20 0 CHADMN Fc1cccc(CN[C@H](c2cccnc2)C2CCC2)c1F ZINC000631727020 1129024260 /nfs/dbraw/zinc/02/42/60/1129024260.db2.gz YASUSISFRMOCJA-KRWDZBQOSA-N 0 1 288.341 3.991 20 0 CHADMN CC(C)[C@H](NCc1cccc(F)c1F)c1cccnc1 ZINC000631725465 1129024289 /nfs/dbraw/zinc/02/42/89/1129024289.db2.gz HCNGHBPEXUXLBM-INIZCTEOSA-N 0 1 276.330 3.847 20 0 CHADMN CCc1ncc(CN[C@@H]2CCc3sc(Cl)cc32)cn1 ZINC000414452847 1122003614 /nfs/dbraw/zinc/00/36/14/1122003614.db2.gz MFVHWNKVVBUGCN-LLVKDONJSA-N 0 1 293.823 3.531 20 0 CHADMN C[C@H]1CN(Cc2ccc(C(C)(C)C)cc2)[C@@H](C)CO1 ZINC000501759584 1122006831 /nfs/dbraw/zinc/00/68/31/1122006831.db2.gz YXXXHXBPZCLDNP-KBPBESRZSA-N 0 1 261.409 3.593 20 0 CHADMN Cc1ccc(CNCc2ccc(OCC3CC3)cc2)o1 ZINC000631243147 1122012900 /nfs/dbraw/zinc/01/29/00/1122012900.db2.gz SZTCVGLUUHLYDX-UHFFFAOYSA-N 0 1 271.360 3.667 20 0 CHADMN CCN(Cc1cccnc1)Cc1ccc(F)c(Cl)c1 ZINC001204284959 1122021459 /nfs/dbraw/zinc/02/14/59/1122021459.db2.gz YFBXYBPADMRBGS-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN Cc1cncc([C@H](C)N[C@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000631736881 1129026023 /nfs/dbraw/zinc/02/60/23/1129026023.db2.gz AMGLVPUZCZNDNQ-NEPJUHHUSA-N 0 1 297.358 3.649 20 0 CHADMN O=C(c1cccc(F)c1O)N1CCC[C@@H](C2CCCC2)C1 ZINC001181064109 1122032157 /nfs/dbraw/zinc/03/21/57/1122032157.db2.gz UCAOIENNPJFSCA-CYBMUJFWSA-N 0 1 291.366 3.574 20 0 CHADMN CC(C)N(Cc1nn(C)cc1Cl)C1CCCCC1 ZINC000420932870 1122044610 /nfs/dbraw/zinc/04/46/10/1122044610.db2.gz HUZBFRYNLUXYJG-UHFFFAOYSA-N 0 1 269.820 3.617 20 0 CHADMN COC[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC000631753235 1129028005 /nfs/dbraw/zinc/02/80/05/1129028005.db2.gz HSSOIDPJLWGUHB-IJLUTSLNSA-N 0 1 293.716 3.568 20 0 CHADMN C[C@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccncc1 ZINC000619950470 1129022216 /nfs/dbraw/zinc/02/22/16/1129022216.db2.gz JMCFCLUXGRVBDY-NSHDSACASA-N 0 1 282.372 3.720 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H](CC)O1 ZINC000420955988 1122051382 /nfs/dbraw/zinc/05/13/82/1122051382.db2.gz MLNDTMRFMXTJBQ-CALCHBBNSA-N 0 1 284.403 3.624 20 0 CHADMN CC(C)(C)c1cnc(CN2CC[C@H](C3CCCC3)C2)o1 ZINC000420963361 1122051785 /nfs/dbraw/zinc/05/17/85/1122051785.db2.gz NERPHSAIKOKFFL-AWEZNQCLSA-N 0 1 276.424 3.984 20 0 CHADMN CCc1cccc(CC)c1NC(=O)c1ccn2cncc2c1 ZINC000151621735 1122052454 /nfs/dbraw/zinc/05/24/54/1122052454.db2.gz BUCUIXDZWUVZOM-UHFFFAOYSA-N 0 1 293.370 3.711 20 0 CHADMN COc1nccc(CN(C(C)C)[C@H](C)c2ccsc2)n1 ZINC000420999722 1122058144 /nfs/dbraw/zinc/05/81/44/1122058144.db2.gz CRZCKRQISKURJA-GFCCVEGCSA-N 0 1 291.420 3.518 20 0 CHADMN CCCc1nc(C)c(CN(C)C2CC(OC(C)(C)C)C2)o1 ZINC000421001762 1122059106 /nfs/dbraw/zinc/05/91/06/1122059106.db2.gz FVTHPRIZGXZALN-UHFFFAOYSA-N 0 1 294.439 3.713 20 0 CHADMN CC(C)c1nc(CN(C(C)C)[C@@H](C)c2ccsc2)n[nH]1 ZINC000421007145 1122060380 /nfs/dbraw/zinc/06/03/80/1122060380.db2.gz KWUMXQZOUSSXOT-LBPRGKRZSA-N 0 1 292.452 3.961 20 0 CHADMN CC(C)[C@H](C)NC(=O)CN(C(C)C)[C@@H](C)c1ccsc1 ZINC000421020068 1122063831 /nfs/dbraw/zinc/06/38/31/1122063831.db2.gz YQBHEPAPYIRLBC-KBPBESRZSA-N 0 1 296.480 3.680 20 0 CHADMN CC[C@H](C)CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000421088546 1122071249 /nfs/dbraw/zinc/07/12/49/1122071249.db2.gz RMIMTQYCSYCJNQ-QMMMGPOBSA-N 0 1 296.321 3.668 20 0 CHADMN Clc1ccc([C@H]2CC[C@@H](NCc3csnn3)C2)cc1 ZINC000414499140 1122072570 /nfs/dbraw/zinc/07/25/70/1122072570.db2.gz JOLQJMUSROLPFM-WCQYABFASA-N 0 1 293.823 3.617 20 0 CHADMN O=C(Nc1cccc(-c2cccs2)c1)c1ccc(O)nn1 ZINC001181738153 1122074790 /nfs/dbraw/zinc/07/47/90/1122074790.db2.gz ZBLUYGNVYUXHIB-UHFFFAOYSA-N 0 1 297.339 3.620 20 0 CHADMN COc1ccc(SCCN2CCC[C@@](C)(F)C2)cc1 ZINC001181985907 1122100445 /nfs/dbraw/zinc/10/04/45/1122100445.db2.gz IEULULYJJKAYLQ-OAHLLOKOSA-N 0 1 283.412 3.611 20 0 CHADMN CC[C@@](C)(C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)OC ZINC001181956342 1122100674 /nfs/dbraw/zinc/10/06/74/1122100674.db2.gz IETZBFBJMBCGHT-CVEARBPZSA-N 0 1 297.826 3.528 20 0 CHADMN CC[C@@](C)(CN1CCO[C@@H](c2ccc(Cl)cc2)C1)OC ZINC001181956342 1122100677 /nfs/dbraw/zinc/10/06/77/1122100677.db2.gz IETZBFBJMBCGHT-CVEARBPZSA-N 0 1 297.826 3.528 20 0 CHADMN CCN1CCCC[C@H]1C(=O)Nc1ccccc1C(C)C ZINC001181993738 1122101720 /nfs/dbraw/zinc/10/17/20/1122101720.db2.gz IVWFLUNFRDRJOG-INIZCTEOSA-N 0 1 274.408 3.623 20 0 CHADMN Cc1cnn(C)c1CN(C(C)C)[C@H](C)c1ccsc1 ZINC000421371986 1122103699 /nfs/dbraw/zinc/10/36/99/1122103699.db2.gz LMHMBIBVDATGGX-CYBMUJFWSA-N 0 1 277.437 3.762 20 0 CHADMN CC[C@@H]1C[C@@]1(NCc1ccc(F)cn1)c1cccc(C)c1 ZINC000502560881 1122110006 /nfs/dbraw/zinc/11/00/06/1122110006.db2.gz ALTMVCWWURWYMD-KDOFPFPSSA-N 0 1 284.378 3.944 20 0 CHADMN CCc1[nH]nc(Cl)c1CN1CC2(CCC2)[C@H]1C(C)C ZINC001182084800 1122110612 /nfs/dbraw/zinc/11/06/12/1122110612.db2.gz BUKNQMGSWFQESR-CYBMUJFWSA-N 0 1 281.831 3.636 20 0 CHADMN Cc1nn(C)c(Cl)c1CN(C)[C@@H](C)C1CCCCC1 ZINC000773978599 1122111736 /nfs/dbraw/zinc/11/17/36/1122111736.db2.gz VTUSAXZMAXZYFC-LBPRGKRZSA-N 0 1 283.847 3.783 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2ccnn2C)cc(C)c1F ZINC000774213129 1122144598 /nfs/dbraw/zinc/14/45/98/1122144598.db2.gz MEMBKVGWEWCMIJ-STQMWFEESA-N 0 1 275.371 3.588 20 0 CHADMN C[C@@H](N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccnn1C ZINC000774228778 1122147074 /nfs/dbraw/zinc/14/70/74/1122147074.db2.gz WKPHIBLGNIDGNG-UKRRQHHQSA-N 0 1 297.402 3.517 20 0 CHADMN CC[C@H](CNCc1nnc(C2CC2)s1)c1ccccc1 ZINC000414551204 1122151224 /nfs/dbraw/zinc/15/12/24/1122151224.db2.gz DXHFCAQEWKCKFW-GFCCVEGCSA-N 0 1 287.432 3.699 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C)nc2)cc1Cl ZINC000414552943 1122155393 /nfs/dbraw/zinc/15/53/93/1122155393.db2.gz RUCOTTIKQRNYCW-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN CC1(C)c2ccccc2CC[N@@H+]1C[C@H]1CC1(Cl)Cl ZINC001182508354 1122171842 /nfs/dbraw/zinc/17/18/42/1122171842.db2.gz LTBXHUNVHCLDLP-GFCCVEGCSA-N 0 1 284.230 3.974 20 0 CHADMN CC[C@H](NCc1cccc(Cl)n1)c1ccccc1 ZINC000271734566 1122172739 /nfs/dbraw/zinc/17/27/39/1122172739.db2.gz ZEOMXLTVULNKRN-AWEZNQCLSA-N 0 1 260.768 3.976 20 0 CHADMN CCN(Cc1ccc(C)nc1Cl)CC1CCC1 ZINC000688555313 1129036311 /nfs/dbraw/zinc/03/63/11/1129036311.db2.gz JXESWDYQZLMEPC-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)ncn1 ZINC000271805335 1122176614 /nfs/dbraw/zinc/17/66/14/1122176614.db2.gz YFTPNBLLHZZBLD-GOSISDBHSA-N 0 1 299.393 3.945 20 0 CHADMN Cc1ccc2c(c1C)OC[C@H]2N[C@H](C)c1cccc(CO)c1 ZINC000271874419 1122180184 /nfs/dbraw/zinc/18/01/84/1122180184.db2.gz HBFVMZSVSLVNQW-RDTXWAMCSA-N 0 1 297.398 3.580 20 0 CHADMN CO[C@@H](c1ccccc1F)[C@@H](C)NCc1occc1C ZINC000271982388 1122185899 /nfs/dbraw/zinc/18/58/99/1122185899.db2.gz JRCXWVQGVCJPMX-MLGOLLRUSA-N 0 1 277.339 3.593 20 0 CHADMN C[C@@H](C[N@H+]1C[C@@H](C)OCC12CCC2)c1ccc(F)cc1 ZINC001182725652 1122186410 /nfs/dbraw/zinc/18/64/10/1122186410.db2.gz LRICZQMIORQAGL-UONOGXRCSA-N 0 1 277.383 3.573 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)NC2(c3ccccc3)CC2)c1 ZINC000272006246 1122186697 /nfs/dbraw/zinc/18/66/97/1122186697.db2.gz PEACIUPFUVSDIF-CQSZACIVSA-N 0 1 294.398 3.985 20 0 CHADMN COC(=O)c1ccc([C@H](C)N[C@@H](c2ccccc2)C2CC2)o1 ZINC000272099909 1122190068 /nfs/dbraw/zinc/19/00/68/1122190068.db2.gz ZLEYORJOKXXDKV-SJCJKPOMSA-N 0 1 299.370 3.868 20 0 CHADMN COc1cc(C)nc(CN[C@H](c2ccccc2)C2CC2)c1 ZINC000272125199 1122191366 /nfs/dbraw/zinc/19/13/66/1122191366.db2.gz KYTSTOACCNVUMN-GOSISDBHSA-N 0 1 282.387 3.640 20 0 CHADMN CCCCCC(C)(C)CNC(=O)[C@@H]1CCCCN1CC ZINC001182931820 1122198244 /nfs/dbraw/zinc/19/82/44/1122198244.db2.gz WPPSAJNCTLXSQD-HNNXBMFYSA-N 0 1 282.472 3.584 20 0 CHADMN COCC[C@H](NCc1ccc2c(c1)CCC2)c1ccco1 ZINC000272412139 1122200702 /nfs/dbraw/zinc/20/07/02/1122200702.db2.gz CCEUEKQVKWUPBP-KRWDZBQOSA-N 0 1 285.387 3.636 20 0 CHADMN COCC[C@H](NCc1ccc(C)s1)c1ccco1 ZINC000272423548 1122202170 /nfs/dbraw/zinc/20/21/70/1122202170.db2.gz DQIQMUNYROLMIZ-ZDUSSCGKSA-N 0 1 265.378 3.517 20 0 CHADMN CCc1ccc(CN[C@H](CCOC)c2ccco2)cc1 ZINC000272421881 1122202864 /nfs/dbraw/zinc/20/28/64/1122202864.db2.gz DKVKRIIVUBVNEO-MRXNPFEDSA-N 0 1 273.376 3.709 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000272588715 1122206219 /nfs/dbraw/zinc/20/62/19/1122206219.db2.gz RONVMOCBFYEPFL-MBTKJCJQSA-N 0 1 285.338 3.667 20 0 CHADMN COCC[C@H](NC/C=C/c1ccc(F)cc1)c1ccco1 ZINC000272625039 1122207721 /nfs/dbraw/zinc/20/77/21/1122207721.db2.gz WWEBRLWTXLDVNW-ICTCPBKTSA-N 0 1 289.350 3.799 20 0 CHADMN CC[C@@H]1C[C@@H](CC(=O)Nc2cccc(Cl)c2O)CCO1 ZINC000272827205 1122213602 /nfs/dbraw/zinc/21/36/02/1122213602.db2.gz NYOVWLNALQJPSE-WDEREUQCSA-N 0 1 297.782 3.579 20 0 CHADMN CC(C)[C@H](C(=O)Nc1cccc(C(C)(C)C)c1)N(C)C ZINC001183363804 1122218096 /nfs/dbraw/zinc/21/80/96/1122218096.db2.gz XDROVBIZGNILBS-OAHLLOKOSA-N 0 1 276.424 3.509 20 0 CHADMN CC[C@H]1[C@H](C)CCN1CN1c2cccc3cccc(c23)C1=O ZINC000774624803 1122221413 /nfs/dbraw/zinc/22/14/13/1122221413.db2.gz MEWBBWINJCNCHU-CJNGLKHVSA-N 0 1 294.398 3.878 20 0 CHADMN COc1cc(C)c([C@H](C)N[C@@H]2CCCc3c[nH]nc32)cc1C ZINC000273138608 1122221519 /nfs/dbraw/zinc/22/15/19/1122221519.db2.gz CSNMEVCEBUYVCV-XJKSGUPXSA-N 0 1 299.418 3.763 20 0 CHADMN Cc1c2ccccc2oc1[C@H](C)NCc1n[nH]c(C2CC2)n1 ZINC000273412117 1122231933 /nfs/dbraw/zinc/23/19/33/1122231933.db2.gz ONXHYGDYAHDPPL-NSHDSACASA-N 0 1 296.374 3.588 20 0 CHADMN COc1ccc(-c2nc(C)c([C@H](C)NCCF)s2)cc1 ZINC000273428685 1122233233 /nfs/dbraw/zinc/23/32/33/1122233233.db2.gz XBAQTJVSSVCNMQ-JTQLQIEISA-N 0 1 294.395 3.747 20 0 CHADMN CC(C)Oc1ccc(CN(C)Cc2ccccn2)cc1 ZINC000273446051 1122233268 /nfs/dbraw/zinc/23/32/68/1122233268.db2.gz XKBHFZPIOCQIKH-UHFFFAOYSA-N 0 1 270.376 3.501 20 0 CHADMN C[C@H]1CN(Cc2cnn(CC3CCC3)c2)Cc2ccccc21 ZINC001183674248 1122234247 /nfs/dbraw/zinc/23/42/47/1122234247.db2.gz VXWXNUSZDYAYES-HNNXBMFYSA-N 0 1 295.430 3.803 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2C[C@H](C)[C@@H](C)C2)s1 ZINC000273550760 1122239101 /nfs/dbraw/zinc/23/91/01/1122239101.db2.gz BYDKGLIWZYGTDC-YUMQZZPRSA-N 0 1 278.343 3.558 20 0 CHADMN CCC(CC)CCCN(C)C(=O)c1cccc2[nH]cnc21 ZINC000620198880 1129040671 /nfs/dbraw/zinc/04/06/71/1129040671.db2.gz NYNQPMGQOFRXFS-UHFFFAOYSA-N 0 1 287.407 3.851 20 0 CHADMN C[C@@H]1CC[C@H]([NH2+]CCc2c(F)cc([O-])cc2F)[C@H](C)C1 ZINC001183972616 1122249500 /nfs/dbraw/zinc/24/95/00/1122249500.db2.gz VWRVHJINURBFDH-UVWXRNBGSA-N 0 1 283.362 3.627 20 0 CHADMN Fc1ccc(/C=C/CN2CC(Cc3ccoc3)C2)cc1F ZINC001184198151 1122260350 /nfs/dbraw/zinc/26/03/50/1122260350.db2.gz VUNZXAIYEXWFND-OWOJBTEDSA-N 0 1 289.325 3.746 20 0 CHADMN CCCC[C@H](C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000503518823 1122265928 /nfs/dbraw/zinc/26/59/28/1122265928.db2.gz NBTPGYCHTUYKAR-JTQLQIEISA-N 0 1 259.353 3.636 20 0 CHADMN c1cc(Oc2ccccc2)oc1CNC[C@@H]1CCCCO1 ZINC000503562507 1122266906 /nfs/dbraw/zinc/26/69/06/1122266906.db2.gz LBPYULJCQJRIED-HNNXBMFYSA-N 0 1 287.359 3.731 20 0 CHADMN CC[C@@]1(C)COCCN1C/C(C)=C/c1ccccc1 ZINC000503560430 1122267530 /nfs/dbraw/zinc/26/75/30/1122267530.db2.gz WFJFBDZVMMDYDZ-VMEIHUARSA-N 0 1 259.393 3.591 20 0 CHADMN C/C(=C\c1ccccc1)CN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000503566233 1122268725 /nfs/dbraw/zinc/26/87/25/1122268725.db2.gz WHSDGCCXAXERMB-VDHMTLRISA-N 0 1 259.393 3.588 20 0 CHADMN Fc1ccccc1[C@H]1CCN(Cc2nc3ccccc3o2)C1 ZINC000503715401 1122274004 /nfs/dbraw/zinc/27/40/04/1122274004.db2.gz HLVOMYPKJQNFJC-ZDUSSCGKSA-N 0 1 296.345 3.956 20 0 CHADMN CCCCO[C@@H]1C[C@H](N[C@@H](C)c2cc(C)on2)C1(C)C ZINC000503882826 1122277510 /nfs/dbraw/zinc/27/75/10/1122277510.db2.gz BBRCNHYEHQRPES-AEGPPILISA-N 0 1 280.412 3.617 20 0 CHADMN Cc1cccc2nc(NC(=O)[C@@H]3CCC[C@H](C)C3)[nH]c21 ZINC001184504113 1122281307 /nfs/dbraw/zinc/28/13/07/1122281307.db2.gz SNEAIMJKJOQKDL-CMPLNLGQSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)Nc1ncc(F)cc1O ZINC001184656929 1122292579 /nfs/dbraw/zinc/29/25/79/1122292579.db2.gz KGIHZTZVIMYAFY-UHFFFAOYSA-N 0 1 295.701 3.532 20 0 CHADMN CCCCCC[C@@H](C)NC(=O)COc1cc(C)nc(C)c1 ZINC000774779582 1122295761 /nfs/dbraw/zinc/29/57/61/1122295761.db2.gz UWDCEQATWQSPGS-CYBMUJFWSA-N 0 1 292.423 3.552 20 0 CHADMN CO[C@@H](CSc1nc2ccc(Cl)cc2[nH]1)C1CC1 ZINC000424062980 1122300255 /nfs/dbraw/zinc/30/02/55/1122300255.db2.gz IFUANLNNCHOULM-LBPRGKRZSA-N 0 1 282.796 3.733 20 0 CHADMN CSCC[C@H](C)N(C)Cc1ccc(C)nc1Cl ZINC000688565309 1129046812 /nfs/dbraw/zinc/04/68/12/1129046812.db2.gz BCWWSMPIZDKXKK-NSHDSACASA-N 0 1 272.845 3.617 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H]3CCC(C)(C)C3)cc(F)c12 ZINC001185166890 1122322797 /nfs/dbraw/zinc/32/27/97/1122322797.db2.gz IDLXFBWCFRUQSF-JTQLQIEISA-N 0 1 289.354 3.775 20 0 CHADMN CC(C)[C@H]1CCC[C@H](Nc2nc(Cl)nc3[nH]cnc32)C1 ZINC001185298459 1122332640 /nfs/dbraw/zinc/33/26/40/1122332640.db2.gz ICUXSVZZEOYAPS-UWVGGRQHSA-N 0 1 293.802 3.633 20 0 CHADMN C[C@H](NC[C@H]1CC1(Cl)Cl)c1c(F)cccc1F ZINC000774870216 1122338039 /nfs/dbraw/zinc/33/80/39/1122338039.db2.gz XSBXASYWPGCZBU-JGVFFNPUSA-N 0 1 280.145 3.809 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@H]1CCC[C@H](F)C1 ZINC000424777458 1122344983 /nfs/dbraw/zinc/34/49/83/1122344983.db2.gz JYJTWZBVUISJEC-YUMQZZPRSA-N 0 1 289.709 3.652 20 0 CHADMN Cc1nc2ccc(NC(=O)c3sccc3Cl)cc2[nH]1 ZINC000505236003 1122350862 /nfs/dbraw/zinc/35/08/62/1122350862.db2.gz SJLBNJKQGUABQI-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN CC(C)(C)[C@@H]1CCN(c2ccncc2C(F)(F)F)C1 ZINC001185913713 1122367262 /nfs/dbraw/zinc/36/72/62/1122367262.db2.gz BCXSHDGISHFZBE-SNVBAGLBSA-N 0 1 272.314 3.973 20 0 CHADMN CCc1csc(Nc2cc3cn[nH]c3cc2C)n1 ZINC001186094292 1122374970 /nfs/dbraw/zinc/37/49/70/1122374970.db2.gz CJSBCYZBWJBLAZ-UHFFFAOYSA-N 0 1 258.350 3.634 20 0 CHADMN CCc1ccc([C@@H](NCc2ccc(OC)nn2)C(C)C)cc1 ZINC000514118993 1122379984 /nfs/dbraw/zinc/37/99/84/1122379984.db2.gz PTOYBOHGJQVJRR-SFHVURJKSA-N 0 1 299.418 3.535 20 0 CHADMN CCN(CCOCC(F)(F)F)Cc1ccccc1Cl ZINC000505479874 1122395789 /nfs/dbraw/zinc/39/57/89/1122395789.db2.gz JSMVZEDVTKCUMK-UHFFFAOYSA-N 0 1 295.732 3.741 20 0 CHADMN CC(C)[C@H](C)Sc1nc(-c2ccccc2F)n[nH]1 ZINC000430089407 1122397971 /nfs/dbraw/zinc/39/79/71/1122397971.db2.gz NEFASYFZSCREQW-VIFPVBQESA-N 0 1 265.357 3.747 20 0 CHADMN Cc1c(Cl)cc(NC(=O)NCC2CC2)c(O)c1Cl ZINC001186614172 1122400064 /nfs/dbraw/zinc/40/00/64/1122400064.db2.gz CBBPERCEHHCOSC-UHFFFAOYSA-N 0 1 289.162 3.539 20 0 CHADMN CC(C)[C@H]1N(Cc2cnc(C(C)(C)C)nc2)CC12CCC2 ZINC000430092321 1122402137 /nfs/dbraw/zinc/40/21/37/1122402137.db2.gz YZOBXUCCJKISFW-OAHLLOKOSA-N 0 1 287.451 3.785 20 0 CHADMN CCc1ccc(CN(C)Cc2cccc(C)c2C)cn1 ZINC000430099380 1122403546 /nfs/dbraw/zinc/40/35/46/1122403546.db2.gz FHDTYIIPITXCID-UHFFFAOYSA-N 0 1 268.404 3.893 20 0 CHADMN C[C@]12CCN(C/C=C\c3ccc(F)cc3F)C[C@H]1C2(F)F ZINC000430102137 1122404577 /nfs/dbraw/zinc/40/45/77/1122404577.db2.gz XPNMCJLZMQNLDZ-VIOGHGGCSA-N 0 1 299.311 3.955 20 0 CHADMN c1ccc([C@@H]2CCN2Cc2ccc(N3CCCC3)nc2)cc1 ZINC000434979876 1122425086 /nfs/dbraw/zinc/42/50/86/1122425086.db2.gz YCOQEASHDAFLNC-SFHVURJKSA-N 0 1 293.414 3.629 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cc(C)cnc1C ZINC001203660425 1122427332 /nfs/dbraw/zinc/42/73/32/1122427332.db2.gz JOMIMBYFZMQYSK-UHFFFAOYSA-N 0 1 270.311 3.537 20 0 CHADMN CCCc1csc(CN2CCSC(C)(C)CC2)n1 ZINC000435051225 1122431170 /nfs/dbraw/zinc/43/11/70/1122431170.db2.gz WBLVBQMEZCYXGE-UHFFFAOYSA-N 0 1 284.494 3.813 20 0 CHADMN Cc1ccccc1CN(C)Cc1cnc2ccc(Cl)cn12 ZINC000505602665 1122433979 /nfs/dbraw/zinc/43/39/79/1122433979.db2.gz AZVMWFLLCGRGLQ-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN CCc1ccc(CN(C)Cc2c(C)nc3ccccn32)cc1 ZINC000505604087 1122434135 /nfs/dbraw/zinc/43/41/35/1122434135.db2.gz DGLPBYTVLCDVKZ-UHFFFAOYSA-N 0 1 293.414 3.837 20 0 CHADMN C[C@@H](c1ccco1)N(Cc1ccc(-c2cc[nH]n2)o1)C1CC1 ZINC000435128712 1122437097 /nfs/dbraw/zinc/43/70/97/1122437097.db2.gz FVSREVPGQDBKKA-LBPRGKRZSA-N 0 1 297.358 3.988 20 0 CHADMN CCOc1cc(CN(C)Cc2occc2C)ccc1OC ZINC000430129373 1122442013 /nfs/dbraw/zinc/44/20/13/1122442013.db2.gz RSIWJJNZHRLGDT-UHFFFAOYSA-N 0 1 289.375 3.627 20 0 CHADMN CC[C@@H]1C[C@H]1CSc1nc2ccc(OC)cc2[nH]1 ZINC001187986861 1122448984 /nfs/dbraw/zinc/44/89/84/1122448984.db2.gz HBVREWXPQVMSKX-ZJUUUORDSA-N 0 1 262.378 3.710 20 0 CHADMN C[C@@H]1CC[C@H](CO)CN1Cc1c(Cl)cccc1Cl ZINC000135776157 1122450816 /nfs/dbraw/zinc/45/08/16/1122450816.db2.gz USHCIGFMUMLKGU-MNOVXSKESA-N 0 1 288.218 3.586 20 0 CHADMN CC(C)n1cncc1CN1CCC[C@@H](Oc2ccccc2)C1 ZINC000425326455 1122453192 /nfs/dbraw/zinc/45/31/92/1122453192.db2.gz NRHCPBIHGICUPN-GOSISDBHSA-N 0 1 299.418 3.507 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCC[C@@H](C)F)n2)o1 ZINC000505657804 1122455060 /nfs/dbraw/zinc/45/50/60/1122455060.db2.gz HCZORIOPUQLEGF-VUHVRTRXSA-N 0 1 281.356 3.717 20 0 CHADMN COc1cccc(C[N@@H+](C)Cc2ccc3ncccc3c2)c1 ZINC000505665788 1122459544 /nfs/dbraw/zinc/45/95/44/1122459544.db2.gz WTKBUQJICGOFJG-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN C[C@@H]1c2cccn2CCN1C[C@H]1C[C@H]1c1ccccc1 ZINC000505689487 1122463333 /nfs/dbraw/zinc/46/33/33/1122463333.db2.gz HVJRIHNXGSDAOR-OIISXLGYSA-N 0 1 266.388 3.668 20 0 CHADMN C[C@@H]1c2cccn2CCN1C[C@H]1C[C@@H]1c1ccccc1 ZINC000505689485 1122463598 /nfs/dbraw/zinc/46/35/98/1122463598.db2.gz HVJRIHNXGSDAOR-DJIMGWMZSA-N 0 1 266.388 3.668 20 0 CHADMN CCC(C)(C)c1ccc(CNC(=O)c2[nH]nc(C)c2C)cc1 ZINC000505698143 1122468821 /nfs/dbraw/zinc/46/88/21/1122468821.db2.gz RQTFTSGMVFIURE-UHFFFAOYSA-N 0 1 299.418 3.644 20 0 CHADMN Cc1c2cc(F)ccc2oc1CNCc1cncs1 ZINC000135961235 1122471211 /nfs/dbraw/zinc/47/12/11/1122471211.db2.gz BTULWWSEKAOLPD-UHFFFAOYSA-N 0 1 276.336 3.627 20 0 CHADMN FC(F)(F)c1ccccc1CN1CC[C@H]2CCCO[C@H]2C1 ZINC001203687214 1122473180 /nfs/dbraw/zinc/47/31/80/1122473180.db2.gz KWLIBZVOPPIXQB-DOMZBBRYSA-N 0 1 299.336 3.706 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc2n[nH]cc2c1)c1ccoc1 ZINC000515079042 1122474787 /nfs/dbraw/zinc/47/47/87/1122474787.db2.gz PVDXIAZRFRBXDT-GHMZBOCLSA-N 0 1 255.321 3.568 20 0 CHADMN Cc1cc[nH]c1C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000435684095 1122481507 /nfs/dbraw/zinc/48/15/07/1122481507.db2.gz UFVLCEDAQPBUCX-UHFFFAOYSA-N 0 1 296.374 3.749 20 0 CHADMN CCc1ccccc1CCOc1ccccc1-c1nnc[nH]1 ZINC000435789621 1122489395 /nfs/dbraw/zinc/48/93/95/1122489395.db2.gz XWUXNLXAUTVVCW-UHFFFAOYSA-N 0 1 293.370 3.656 20 0 CHADMN O=C1CCC[C@@H]2CN(Cc3ccccc3C(F)(F)F)C[C@@H]12 ZINC001203697939 1122490270 /nfs/dbraw/zinc/49/02/70/1122490270.db2.gz LYPNUFLPCUJOTA-DGCLKSJQSA-N 0 1 297.320 3.506 20 0 CHADMN CCC[C@H](NCCOCC1CC1)c1ncccc1Cl ZINC000925000057 1122497620 /nfs/dbraw/zinc/49/76/20/1122497620.db2.gz LOKNSMNSXRWQBB-AWEZNQCLSA-N 0 1 282.815 3.592 20 0 CHADMN Fc1ccc(Cl)cc1Nc1ccc2cncn2c1 ZINC001250328712 1122498814 /nfs/dbraw/zinc/49/88/14/1122498814.db2.gz RNTNPJIBQYIERY-UHFFFAOYSA-N 0 1 261.687 3.870 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)N[C@@H](C)C3CC3)n2)cc1F ZINC000505748654 1122506955 /nfs/dbraw/zinc/50/69/55/1122506955.db2.gz ZAOOBVCSVIVILN-QWRGUYRKSA-N 0 1 289.354 3.633 20 0 CHADMN COc1cccc([C@H](C)N[C@@H](C)c2cn3ccccc3n2)c1 ZINC000515525302 1122506972 /nfs/dbraw/zinc/50/69/72/1122506972.db2.gz CQVIGROLKLHQNM-KBPBESRZSA-N 0 1 295.386 3.755 20 0 CHADMN CC(C)(O)c1ccc(CNCc2cscc2Cl)cc1 ZINC000775324903 1122515573 /nfs/dbraw/zinc/51/55/73/1122515573.db2.gz ALMPEPFZDVUFSP-UHFFFAOYSA-N 0 1 295.835 3.919 20 0 CHADMN OCC[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000505770895 1122523059 /nfs/dbraw/zinc/52/30/59/1122523059.db2.gz IYZZCHOFILTRMH-AWEZNQCLSA-N 0 1 288.218 3.730 20 0 CHADMN Fc1ccc(F)c(CNCc2cc3c(cccc3F)[nH]2)c1 ZINC000436240448 1122525454 /nfs/dbraw/zinc/52/54/54/1122525454.db2.gz JWBYIHPTLJQVDZ-UHFFFAOYSA-N 0 1 290.288 3.875 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1ccc2cc(F)ccc2c1 ZINC001190142821 1122526093 /nfs/dbraw/zinc/52/60/93/1122526093.db2.gz PGHWCDPDKVJJMC-UHFFFAOYSA-N 0 1 283.306 3.517 20 0 CHADMN Cc1cc(C)cc(NC(=O)CN(CCC(C)C)C2CC2)c1 ZINC001190325465 1122533787 /nfs/dbraw/zinc/53/37/87/1122533787.db2.gz OQBIYVBCNVGBDS-UHFFFAOYSA-N 0 1 288.435 3.752 20 0 CHADMN CC[C@H](OCCN1C[C@@H](C)OC[C@H]1CC)c1ccccc1 ZINC001190341491 1122534180 /nfs/dbraw/zinc/53/41/80/1122534180.db2.gz YVBJIWLUIJBQBY-NXHRZFHOSA-N 0 1 291.435 3.654 20 0 CHADMN CCN(Cc1ccccc1F)C[C@@H]1CCCC(C)(C)O1 ZINC001190627847 1122549005 /nfs/dbraw/zinc/54/90/05/1122549005.db2.gz NYRDDOUMXWLASM-HNNXBMFYSA-N 0 1 279.399 3.995 20 0 CHADMN c1csc(-c2nc(CNC3CC4(CCC4)C3)co2)c1 ZINC000436470640 1122552327 /nfs/dbraw/zinc/55/23/27/1122552327.db2.gz MTPQHAOHURQEQV-UHFFFAOYSA-N 0 1 274.389 3.825 20 0 CHADMN COc1c(C)cccc1CN1CCC[C@H](C(F)(F)F)C1 ZINC001237511481 1129062864 /nfs/dbraw/zinc/06/28/64/1129062864.db2.gz QZWMVXLFBYYZHQ-ZDUSSCGKSA-N 0 1 287.325 3.778 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H](C)c2ccccc2)c1 ZINC000436643485 1122569458 /nfs/dbraw/zinc/56/94/58/1122569458.db2.gz FDQNKFKVGNSMIF-LBPRGKRZSA-N 0 1 297.354 3.727 20 0 CHADMN COC(=O)/C(C)=C/CN[C@@H](c1ccccc1Cl)C(C)C ZINC000775434601 1122570491 /nfs/dbraw/zinc/57/04/91/1122570491.db2.gz OERMPGPROZNGRZ-SAAWKEMMSA-N 0 1 295.810 3.746 20 0 CHADMN Cc1ccc(C[C@@H](C)N[C@H](C)c2ncco2)c(C)c1 ZINC000925010570 1122571704 /nfs/dbraw/zinc/57/17/04/1122571704.db2.gz OMRRJSFLGBZFIV-ZIAGYGMSSA-N 0 1 258.365 3.573 20 0 CHADMN COc1cc(CN2CCC[C@@H]2/C=C\c2ccccc2)ccn1 ZINC000505869890 1122575069 /nfs/dbraw/zinc/57/50/69/1122575069.db2.gz QNFQODLDQFJPKW-HJCTWCACSA-N 0 1 294.398 3.768 20 0 CHADMN CCc1ccc([C@H]2COCCN2C[C@@H](C)C(C)(C)C)o1 ZINC001191121283 1122575431 /nfs/dbraw/zinc/57/54/31/1122575431.db2.gz JNXIDZITLVKNCB-UKRRQHHQSA-N 0 1 279.424 3.898 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H](C)Cc1ccccc1 ZINC000436749546 1122579455 /nfs/dbraw/zinc/57/94/55/1122579455.db2.gz ZAINQTIJBDPQRV-CYBMUJFWSA-N 0 1 293.370 3.689 20 0 CHADMN CC(=O)Nc1cccc(CN[C@@H](c2ccccn2)C(C)C)c1 ZINC000775451254 1122590870 /nfs/dbraw/zinc/59/08/70/1122590870.db2.gz ZPPXQZANBHBXKB-GOSISDBHSA-N 0 1 297.402 3.527 20 0 CHADMN Cc1ccc([C@H]2CCCN2C(=O)c2c(O)cccc2F)cc1 ZINC000436943968 1122597499 /nfs/dbraw/zinc/59/74/99/1122597499.db2.gz NZCWUTUOFIGNNF-OAHLLOKOSA-N 0 1 299.345 3.817 20 0 CHADMN O=C(c1c(O)cccc1F)N(CC1CCCCC1)C1CC1 ZINC000436942507 1122598039 /nfs/dbraw/zinc/59/80/39/1122598039.db2.gz ILHFGDGYMOIVPS-UHFFFAOYSA-N 0 1 291.366 3.716 20 0 CHADMN CC(C)(C)c1cnc(NC(=O)c2c(O)cccc2F)s1 ZINC000436977852 1122600073 /nfs/dbraw/zinc/60/00/73/1122600073.db2.gz FSIJVIDOMTWEOQ-UHFFFAOYSA-N 0 1 294.351 3.538 20 0 CHADMN CSc1ccc2nc(-c3ccc(O)cc3)[nH]c2c1 ZINC000436982001 1122600127 /nfs/dbraw/zinc/60/01/27/1122600127.db2.gz SBBZAUOBUCEKOI-UHFFFAOYSA-N 0 1 256.330 3.657 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cnc(C)cn2)c(C)c1 ZINC000505913745 1122600299 /nfs/dbraw/zinc/60/02/99/1122600299.db2.gz WNUWFOZVWJCZKW-HNNXBMFYSA-N 0 1 269.392 3.595 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2coc3ccc(F)cc23)n1 ZINC000516465345 1122601206 /nfs/dbraw/zinc/60/12/06/1122601206.db2.gz GCJISJSNQDYMIN-LBPRGKRZSA-N 0 1 289.310 3.668 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1C(=O)c1c(O)cccc1F ZINC000436992701 1122601617 /nfs/dbraw/zinc/60/16/17/1122601617.db2.gz WONOMNMBPHTDOR-AAEUAGOBSA-N 0 1 279.355 3.572 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H](C)c1ccccc1 ZINC000437000330 1122603147 /nfs/dbraw/zinc/60/31/47/1122603147.db2.gz HSOQLBRNJGUDIQ-LBPRGKRZSA-N 0 1 279.343 3.614 20 0 CHADMN O=C(Nc1cccc(C2CC2)n1)c1ccc(O)c(Cl)c1 ZINC000436998505 1122603806 /nfs/dbraw/zinc/60/38/06/1122603806.db2.gz HTULFVZHDSFBEU-UHFFFAOYSA-N 0 1 288.734 3.570 20 0 CHADMN C[C@H](CF)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000288415415 1122605608 /nfs/dbraw/zinc/60/56/08/1122605608.db2.gz JHKGGACIYZXASG-SECBINFHSA-N 0 1 284.787 3.911 20 0 CHADMN Cc1cnc(CN[C@@H](c2ccccc2)C(C)(C)C)cn1 ZINC001191626082 1122606601 /nfs/dbraw/zinc/60/66/01/1122606601.db2.gz FUQPJIQDHNNOCM-INIZCTEOSA-N 0 1 269.392 3.662 20 0 CHADMN CC1(C)CCC(CNCc2nccc(C(F)F)n2)CC1 ZINC000288513021 1122607326 /nfs/dbraw/zinc/60/73/26/1122607326.db2.gz TUZDMHJMLJMTSD-UHFFFAOYSA-N 0 1 283.366 3.720 20 0 CHADMN CC(C)N(C)c1ccccc1CN[C@H](C)c1cncs1 ZINC000437077365 1122609220 /nfs/dbraw/zinc/60/92/20/1122609220.db2.gz OBFSHLIDBNRISY-CYBMUJFWSA-N 0 1 289.448 3.839 20 0 CHADMN Cc1nnc(CN(CCCSC(C)(C)C)C(C)(C)C)o1 ZINC001191731248 1122612133 /nfs/dbraw/zinc/61/21/33/1122612133.db2.gz MALFVPWUOMHIJN-UHFFFAOYSA-N 0 1 299.484 3.900 20 0 CHADMN CCC[C@@H](C)CCCN1CCN(c2ncc(C)s2)CC1 ZINC001191753582 1122613798 /nfs/dbraw/zinc/61/37/98/1122613798.db2.gz ONGYKCIQXQHUCQ-CQSZACIVSA-N 0 1 295.496 3.790 20 0 CHADMN Cc1c(C(=O)Nc2c(Cl)ccc(O)c2Cl)ccn1C ZINC001191842121 1122618729 /nfs/dbraw/zinc/61/87/29/1122618729.db2.gz DXXNVENJISZWDA-UHFFFAOYSA-N 0 1 299.157 3.598 20 0 CHADMN COc1cc(CN2CCOc3ccccc3[C@H]2C)ccc1C ZINC001191870410 1122619773 /nfs/dbraw/zinc/61/97/73/1122619773.db2.gz GWNBHPKFAPZHCZ-OAHLLOKOSA-N 0 1 297.398 3.959 20 0 CHADMN Cc1ccc([C@@H](C)N(C)[C@@H](c2nccn2C)C2CC2)cc1 ZINC000637901961 1129235598 /nfs/dbraw/zinc/23/55/98/1129235598.db2.gz ONGLHYXGEUYTQA-RHSMWYFYSA-N 0 1 283.419 3.873 20 0 CHADMN O[C@@H](CN[C@@H](c1ccco1)c1ccccc1)c1ccccc1 ZINC000193310409 1129066953 /nfs/dbraw/zinc/06/69/53/1129066953.db2.gz URLGOUSZYYDMNK-PKOBYXMFSA-N 0 1 293.366 3.692 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1cccc2c1OCO2 ZINC000506016022 1122626194 /nfs/dbraw/zinc/62/61/94/1122626194.db2.gz BZIRHAWHLKKAHC-ZDUSSCGKSA-N 0 1 269.344 3.608 20 0 CHADMN CCC[C@]1(C)CCCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000437370543 1122630358 /nfs/dbraw/zinc/63/03/58/1122630358.db2.gz HHMDKXAJROKMHG-QGZVFWFLSA-N 0 1 285.391 3.605 20 0 CHADMN CC[C@@H]1CCC[C@H](C)N1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000620575301 1129067445 /nfs/dbraw/zinc/06/74/45/1129067445.db2.gz PBQAXOHMJGGSDT-DZGCQCFKSA-N 0 1 297.402 3.870 20 0 CHADMN c1cc2c(ccnc2NC[C@@H]2CC[N@H+]2Cc2ccccc2)o1 ZINC000664630469 1122633822 /nfs/dbraw/zinc/63/38/22/1122633822.db2.gz CXUYCLIMRQVJJT-HNNXBMFYSA-N 0 1 293.370 3.514 20 0 CHADMN CC(C)CC[C@H]1CCCN1Cc1nccn1CC(F)F ZINC001192174705 1122633800 /nfs/dbraw/zinc/63/38/00/1122633800.db2.gz TWYOUHAXVMIXMC-CYBMUJFWSA-N 0 1 285.382 3.549 20 0 CHADMN CC(C)c1ccccc1NC(=O)Nc1ncc(F)cc1O ZINC001192226834 1122636471 /nfs/dbraw/zinc/63/64/71/1122636471.db2.gz JLWGEAGELSVAJP-UHFFFAOYSA-N 0 1 289.310 3.694 20 0 CHADMN CCc1cc([NH+]=C([O-])Nc2ccccc2C(C)C)ccn1 ZINC001192227478 1122636799 /nfs/dbraw/zinc/63/67/99/1122636799.db2.gz UIYMECFJAUSOAK-UHFFFAOYSA-N 0 1 283.375 3.833 20 0 CHADMN C[C@H](N(C)Cc1ccn(-c2ccc(F)cc2)n1)C1(C)CC1 ZINC000437520855 1122638510 /nfs/dbraw/zinc/63/85/10/1122638510.db2.gz YXSBHOWYWCJFKG-ZDUSSCGKSA-N 0 1 287.382 3.632 20 0 CHADMN Cc1nc(CN(C)CCC2CC2)sc1C(C)(C)C ZINC001192334265 1122639287 /nfs/dbraw/zinc/63/92/87/1122639287.db2.gz GNDGAVGQAZLEGI-UHFFFAOYSA-N 0 1 266.454 3.981 20 0 CHADMN FCc1ccccc1CN1CCc2c(F)cccc2C1 ZINC001192304778 1122639731 /nfs/dbraw/zinc/63/97/31/1122639731.db2.gz TZKJDQRWROKODE-UHFFFAOYSA-N 0 1 273.326 3.854 20 0 CHADMN COc1ccc(CN(Cc2ccccc2C)C2CC2)cn1 ZINC000437573667 1122641055 /nfs/dbraw/zinc/64/10/55/1122641055.db2.gz CPEDIWDWCYAKCR-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN Cc1ccc(N(C)[C@@H]2CCC[N@@H+](C/C=C/Cl)C2)cc1 ZINC001192491026 1122648919 /nfs/dbraw/zinc/64/89/19/1122648919.db2.gz YNFWGURKDVZPEH-IGKXFLDPSA-N 0 1 278.827 3.648 20 0 CHADMN CN(Cc1cc(F)c(F)c(F)c1)C[C@@H]1CCC2(CCC2)O1 ZINC001192537025 1122651766 /nfs/dbraw/zinc/65/17/66/1122651766.db2.gz QEPVDOXMJWJACM-LBPRGKRZSA-N 0 1 299.336 3.637 20 0 CHADMN Clc1ccc2c(c1)CN(C[C@H]1CC[C@H](C3CC3)O1)CC2 ZINC001192919712 1122662884 /nfs/dbraw/zinc/66/28/84/1122662884.db2.gz YXRXCPZJNMMJBS-IAGOWNOFSA-N 0 1 291.822 3.656 20 0 CHADMN Cc1cccc(CN(C)[C@@H]2CCc3ccc(F)cc32)n1 ZINC000437903422 1122663011 /nfs/dbraw/zinc/66/30/11/1122663011.db2.gz SVTGUPAAVFUPIO-QGZVFWFLSA-N 0 1 270.351 3.648 20 0 CHADMN C=C/C=C/CCN1CCn2c(Cl)ccc2[C@H]1C ZINC001192947324 1122663684 /nfs/dbraw/zinc/66/36/84/1122663684.db2.gz NWVDMYWYMSNVMN-ZYOFXKKJSA-N 0 1 250.773 3.650 20 0 CHADMN Cn1cc2c(n1)CCC[C@H]2NCc1ccc(C2CC2)cc1F ZINC000425938956 1122670860 /nfs/dbraw/zinc/67/08/60/1122670860.db2.gz BHFUOGYBFYLMGL-QGZVFWFLSA-N 0 1 299.393 3.604 20 0 CHADMN Fc1cc(Cl)ccc1CN1CC[C@H](C2CC2)C1 ZINC000438092832 1122675804 /nfs/dbraw/zinc/67/58/04/1122675804.db2.gz BCTXOXLEQJISDM-NSHDSACASA-N 0 1 253.748 3.711 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2ccc(Br)cn2)C1 ZINC000438339804 1122692447 /nfs/dbraw/zinc/69/24/47/1122692447.db2.gz FOVXCSKDBQIAOE-LBPRGKRZSA-N 0 1 297.240 3.712 20 0 CHADMN Cc1cc(C)c(CN2CCc3ncsc3C2)c(C)c1 ZINC000438348719 1122693678 /nfs/dbraw/zinc/69/36/78/1122693678.db2.gz YPJFQCQTHSFMLQ-UHFFFAOYSA-N 0 1 272.417 3.627 20 0 CHADMN c1ccc2[nH]c(CN3CCCC4(CCCC4)C3)nc2c1 ZINC000438343705 1122693813 /nfs/dbraw/zinc/69/38/13/1122693813.db2.gz CXTSCHKCOBJYSR-UHFFFAOYSA-N 0 1 269.392 3.719 20 0 CHADMN CCOC(=O)[C@H](c1ccccc1)N1CCC[C@H](C(C)C)C1 ZINC001193497532 1122693868 /nfs/dbraw/zinc/69/38/68/1122693868.db2.gz RBSVGMFKLFVKJC-IRXDYDNUSA-N 0 1 289.419 3.659 20 0 CHADMN Cc1oc2ccccc2c1CN1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000438364671 1122694728 /nfs/dbraw/zinc/69/47/28/1122694728.db2.gz OPZHXQOXBGRLCN-AVGNSLFASA-N 0 1 273.376 3.739 20 0 CHADMN c1nc2c(s1)CN(Cc1ccc3ccccc3c1)CC2 ZINC000438366267 1122694874 /nfs/dbraw/zinc/69/48/74/1122694874.db2.gz VDACOKNTJKTDHJ-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN CCc1cnc(CN[C@@H](CC(F)(F)F)C(C)C)s1 ZINC000438478133 1122702904 /nfs/dbraw/zinc/70/29/04/1122702904.db2.gz NVTQAGIOOYVZBD-JTQLQIEISA-N 0 1 280.359 3.772 20 0 CHADMN CCc1nc(CN[C@H](CC(F)(F)F)C(C)C)cs1 ZINC000438477162 1122703349 /nfs/dbraw/zinc/70/33/49/1122703349.db2.gz KCWRGCNECUVVME-SNVBAGLBSA-N 0 1 280.359 3.772 20 0 CHADMN CC[C@@H]1CCN(Cc2nc(C(C)(C)C)co2)[C@@H]1C ZINC001193604374 1122705013 /nfs/dbraw/zinc/70/50/13/1122705013.db2.gz GNDNDMVOFZHZOZ-VXGBXAGGSA-N 0 1 250.386 3.593 20 0 CHADMN C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cccc2c1OCO2 ZINC000506260336 1122706842 /nfs/dbraw/zinc/70/68/42/1122706842.db2.gz WKICZAKXYCRQML-GFCCVEGCSA-N 0 1 287.334 3.747 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)Cc1cccc2c1OCO2 ZINC000506260336 1122706847 /nfs/dbraw/zinc/70/68/47/1122706847.db2.gz WKICZAKXYCRQML-GFCCVEGCSA-N 0 1 287.334 3.747 20 0 CHADMN COc1ccc2c(c1)OCCN([C@@H](C)c1cccc(C)c1)C2 ZINC001193785570 1122716105 /nfs/dbraw/zinc/71/61/05/1122716105.db2.gz SDANQBXQJMQVOD-HNNXBMFYSA-N 0 1 297.398 3.959 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N1CCCC12CCCCC2 ZINC000340437109 1122716858 /nfs/dbraw/zinc/71/68/58/1122716858.db2.gz UVJHYKACUPXTPP-UHFFFAOYSA-N 0 1 283.375 3.502 20 0 CHADMN COC(=O)c1ccc(CN2CCC[C@H]2c2ccc(C)cc2)o1 ZINC000506338278 1122721063 /nfs/dbraw/zinc/72/10/63/1122721063.db2.gz FGEPNRUFHCLGGT-INIZCTEOSA-N 0 1 299.370 3.712 20 0 CHADMN CC[C@H]1CCCN(Cc2cccc(OC)c2OC(F)F)C1 ZINC000509548279 1122726992 /nfs/dbraw/zinc/72/69/92/1122726992.db2.gz GETHJDXYEIWPEX-LBPRGKRZSA-N 0 1 299.361 3.919 20 0 CHADMN CCc1ccc(CCN(C)Cc2cc(C(C)(C)C)n[nH]2)cc1 ZINC001193872955 1122727607 /nfs/dbraw/zinc/72/76/07/1122727607.db2.gz PSQXZYBHBYTSDW-UHFFFAOYSA-N 0 1 299.462 3.944 20 0 CHADMN CC(C)C1(O)CN(Cc2ccc(-c3ccsc3)cc2)C1 ZINC001194029410 1122739999 /nfs/dbraw/zinc/73/99/99/1122739999.db2.gz DLYURDQHOOLQOD-UHFFFAOYSA-N 0 1 287.428 3.618 20 0 CHADMN Fc1cccc(CN2CCOC[C@@H]2C2CCCCC2)c1 ZINC001203787732 1122741125 /nfs/dbraw/zinc/74/11/25/1122741125.db2.gz BNHYOBXMJURRMQ-QGZVFWFLSA-N 0 1 277.383 3.607 20 0 CHADMN CO[C@H]1CC[N@@H+](Cc2sccc2Cl)CC1(C)C ZINC000295126419 1122742683 /nfs/dbraw/zinc/74/26/83/1122742683.db2.gz XYWDOLMXGJDVMO-LBPRGKRZSA-N 0 1 273.829 3.648 20 0 CHADMN CO[C@H]1CCN(Cc2sccc2Cl)CC1(C)C ZINC000295126419 1122742688 /nfs/dbraw/zinc/74/26/88/1122742688.db2.gz XYWDOLMXGJDVMO-LBPRGKRZSA-N 0 1 273.829 3.648 20 0 CHADMN CCC[C@](C)(O)CN[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000925044465 1122744434 /nfs/dbraw/zinc/74/44/34/1122744434.db2.gz GTNZPYSDJCQMAR-OALUTQOASA-N 0 1 298.430 3.620 20 0 CHADMN C[C@@H](O)CC[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000438993935 1122746366 /nfs/dbraw/zinc/74/63/66/1122746366.db2.gz XNWJKWOHIDZFPW-QMTHXVAHSA-N 0 1 288.218 3.901 20 0 CHADMN C[C@@H](O)CCN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000438993935 1122746369 /nfs/dbraw/zinc/74/63/69/1122746369.db2.gz XNWJKWOHIDZFPW-QMTHXVAHSA-N 0 1 288.218 3.901 20 0 CHADMN CCc1ccc([C@H]2CCCN(Cc3nocc3C)C2)cc1 ZINC001194115712 1122747112 /nfs/dbraw/zinc/74/71/12/1122747112.db2.gz FQDNAURVVSWMOT-KRWDZBQOSA-N 0 1 284.403 3.925 20 0 CHADMN COc1ccc(CN2CC[C@H](C)C(F)(F)CC2)cc1F ZINC001203789191 1122748184 /nfs/dbraw/zinc/74/81/84/1122748184.db2.gz FGGKOYDPPPPWOP-NSHDSACASA-N 0 1 287.325 3.702 20 0 CHADMN CCCCCCOC(=O)NC1=NCC(=O)C=C1Cl ZINC001194165910 1122752591 /nfs/dbraw/zinc/75/25/91/1122752591.db2.gz CHCOTWKIHHWOIP-UHFFFAOYSA-N 0 1 272.732 3.569 20 0 CHADMN CCc1nc(C)c(CN[C@@H](C)c2cc3c(s2)CCC3)o1 ZINC000426294206 1122758052 /nfs/dbraw/zinc/75/80/52/1122758052.db2.gz SPOXQPKKLBFNAN-NSHDSACASA-N 0 1 290.432 3.946 20 0 CHADMN CCCn1cc(CN(CC)Cc2ccccc2C)cn1 ZINC000153739206 1129075974 /nfs/dbraw/zinc/07/59/74/1129075974.db2.gz GXLPQLFKKODDEK-UHFFFAOYSA-N 0 1 271.408 3.624 20 0 CHADMN Cn1ccnc1[C@@H](N[C@@]1(C)CCCc2ccccc21)C1CC1 ZINC000638603311 1122764159 /nfs/dbraw/zinc/76/41/59/1122764159.db2.gz CMMWKSQBENVXCS-HKUYNNGSSA-N 0 1 295.430 3.713 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1cn2ccccc2n1 ZINC000518562294 1122768138 /nfs/dbraw/zinc/76/81/38/1122768138.db2.gz FEZFJGWHXUANIJ-PBHICJAKSA-N 0 1 291.398 3.981 20 0 CHADMN CC[N@@H+](Cc1scnc1C)Cc1ccccc1C ZINC000153743634 1129076759 /nfs/dbraw/zinc/07/67/59/1129076759.db2.gz KVVWEYFZNWBVQE-UHFFFAOYSA-N 0 1 260.406 3.782 20 0 CHADMN CCN(Cc1scnc1C)Cc1ccccc1C ZINC000153743634 1129076762 /nfs/dbraw/zinc/07/67/62/1129076762.db2.gz KVVWEYFZNWBVQE-UHFFFAOYSA-N 0 1 260.406 3.782 20 0 CHADMN CCC[C@H](OC)c1noc(-c2cc(-c3ccccc3)n[nH]2)n1 ZINC000296415827 1122770873 /nfs/dbraw/zinc/77/08/73/1122770873.db2.gz LEDQBAWVYFFWQB-AWEZNQCLSA-N 0 1 298.346 3.614 20 0 CHADMN CC(C)(C)COC(=O)N=c1cc2[nH]snc-2cc1Cl ZINC001194391204 1122771986 /nfs/dbraw/zinc/77/19/86/1122771986.db2.gz HULLGDWKLYNBAU-UHFFFAOYSA-N 0 1 299.783 3.939 20 0 CHADMN Cc1cc(CN(C)Cc2cc(O)cc(F)c2)ccc1F ZINC000518683608 1122778253 /nfs/dbraw/zinc/77/82/53/1122778253.db2.gz UDOFXASXECAPRV-UHFFFAOYSA-N 0 1 277.314 3.611 20 0 CHADMN CC[C@H]1CN(Cc2ccc(C)cc2Cl)CCCO1 ZINC000439469269 1122781834 /nfs/dbraw/zinc/78/18/34/1122781834.db2.gz MHIJZYCGPDMZRD-AWEZNQCLSA-N 0 1 267.800 3.649 20 0 CHADMN CC(C)[C@@H]1N(Cc2cccc(F)c2F)CC12CCOCC2 ZINC000518725302 1122782448 /nfs/dbraw/zinc/78/24/48/1122782448.db2.gz NJARUTHSWYHKMK-INIZCTEOSA-N 0 1 295.373 3.602 20 0 CHADMN CSCCCN(C)[C@H](C)c1nnc(-c2cccs2)o1 ZINC000439462821 1122783710 /nfs/dbraw/zinc/78/37/10/1122783710.db2.gz AEQJYNZWYYJROD-SNVBAGLBSA-N 0 1 297.449 3.544 20 0 CHADMN c1ccc2c(c1)cccc2CCCN(C1CC1)C1COC1 ZINC001194599680 1122785017 /nfs/dbraw/zinc/78/50/17/1122785017.db2.gz PPVLOMGZIPPSQP-UHFFFAOYSA-N 0 1 281.399 3.636 20 0 CHADMN COc1cc2[nH]c([C@@H](C)C(F)(F)F)nc2cc1C ZINC001250586375 1122786785 /nfs/dbraw/zinc/78/67/85/1122786785.db2.gz QORMRBWJEYLIKY-SSDOTTSWSA-N 0 1 258.243 3.546 20 0 CHADMN Fc1cc2[nH]c([C@@H]3CCC=CO3)nc2cc1Cl ZINC001250586903 1122787230 /nfs/dbraw/zinc/78/72/30/1122787230.db2.gz WDYVKUGFNKBWED-NSHDSACASA-N 0 1 252.676 3.721 20 0 CHADMN c1coc(CCNCc2csc(-c3ccccc3)n2)c1 ZINC000518771892 1122789155 /nfs/dbraw/zinc/78/91/55/1122789155.db2.gz PAHSJFVGEPBFAL-UHFFFAOYSA-N 0 1 284.384 3.735 20 0 CHADMN CC(C)[C@H]1CCCCN1Cc1nc(C2CCCC2)no1 ZINC000153885185 1129078156 /nfs/dbraw/zinc/07/81/56/1129078156.db2.gz FXRQLFBNWWDCLQ-CQSZACIVSA-N 0 1 277.412 3.738 20 0 CHADMN CCCC[C@](C)(F)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000834335773 1122803536 /nfs/dbraw/zinc/80/35/36/1122803536.db2.gz XGZPUUZLAZFQML-HNNXBMFYSA-N 0 1 277.343 3.728 20 0 CHADMN CCc1cc(CN[C@@H](C)c2c(C)oc3ccccc32)[nH]n1 ZINC000925061630 1122809734 /nfs/dbraw/zinc/80/97/34/1122809734.db2.gz KDMHBNNYPPMJQG-NSHDSACASA-N 0 1 283.375 3.878 20 0 CHADMN CCc1cc(CN[C@H](C)c2c(C)oc3ccccc32)[nH]n1 ZINC000925061625 1122810383 /nfs/dbraw/zinc/81/03/83/1122810383.db2.gz KDMHBNNYPPMJQG-LLVKDONJSA-N 0 1 283.375 3.878 20 0 CHADMN Cn1ccnc1[C@H](NC[C@@H]1CC=CCC1)c1ccc(F)cc1 ZINC000298414159 1122814944 /nfs/dbraw/zinc/81/49/44/1122814944.db2.gz NWAYPJPSLFABQL-RHSMWYFYSA-N 0 1 299.393 3.595 20 0 CHADMN COc1cccc(CN(C)[C@@H]2CC2(C)C)c1OC(F)F ZINC000426555627 1122821054 /nfs/dbraw/zinc/82/10/54/1122821054.db2.gz APYUXUCFARKZLB-GFCCVEGCSA-N 0 1 285.334 3.527 20 0 CHADMN CN(Cc1c(F)cccc1N1CCCC1)[C@H]1CC1(C)C ZINC000426558594 1122821562 /nfs/dbraw/zinc/82/15/62/1122821562.db2.gz VRHGONHPRNENAM-INIZCTEOSA-N 0 1 276.399 3.656 20 0 CHADMN Cc1ccnn1C1CCN(Cc2cccc(Cl)c2)CC1 ZINC001203802412 1122825504 /nfs/dbraw/zinc/82/55/04/1122825504.db2.gz KTPHKGOJNXCNEH-UHFFFAOYSA-N 0 1 289.810 3.682 20 0 CHADMN CN(Cc1ccc(C(F)(F)F)s1)[C@@H]1CC1(C)C ZINC000426580262 1122827498 /nfs/dbraw/zinc/82/74/98/1122827498.db2.gz QBFNRLKWZVVKGF-SECBINFHSA-N 0 1 263.328 3.997 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H](C)c2cc3ccccc3[nH]2)n[nH]1 ZINC000775630866 1122835004 /nfs/dbraw/zinc/83/50/04/1122835004.db2.gz UAQPJBCXTIURAV-RYUDHWBXSA-N 0 1 297.406 3.821 20 0 CHADMN CC[C@@H](COC)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000154034832 1129081878 /nfs/dbraw/zinc/08/18/78/1129081878.db2.gz HZYDGQOYMQNTBY-MNOVXSKESA-N 0 1 270.442 3.516 20 0 CHADMN c1ncc(CNc2cccc(-c3ccc4c(c3)CCO4)c2)[nH]1 ZINC000894424171 1122850775 /nfs/dbraw/zinc/85/07/75/1122850775.db2.gz CGOWHBNTBLRWSS-UHFFFAOYSA-N 0 1 291.354 3.624 20 0 CHADMN C[C@H](c1cccnc1)N(C)Cc1cccc2c1NCCC2 ZINC000894449191 1122855411 /nfs/dbraw/zinc/85/54/11/1122855411.db2.gz OYRLYGNWYMOLDH-CQSZACIVSA-N 0 1 281.403 3.633 20 0 CHADMN CSc1ccc(CN2C[C@@H](C)C[C@@H]2c2cccnc2)o1 ZINC000894462537 1122858581 /nfs/dbraw/zinc/85/85/81/1122858581.db2.gz XEWHXHVYVIKHGU-SWLSCSKDSA-N 0 1 288.416 3.980 20 0 CHADMN Cc1ncoc1CN[C@@H]1c2ccccc2CCC[C@H]1C ZINC000894470953 1122858951 /nfs/dbraw/zinc/85/89/51/1122858951.db2.gz OXCVFAOMHMREMY-PXAZEXFGSA-N 0 1 270.376 3.786 20 0 CHADMN C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2)CC[C@H]1O ZINC001203808329 1122870119 /nfs/dbraw/zinc/87/01/19/1122870119.db2.gz IMWWELXKGVXTDD-QMTHXVAHSA-N 0 1 288.218 3.586 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1cnnn1C)c1ccccc1Cl ZINC000925075719 1122873485 /nfs/dbraw/zinc/87/34/85/1122873485.db2.gz LOBBBKYKPVFGBX-NHYWBVRUSA-N 0 1 292.814 3.516 20 0 CHADMN Cc1cccc(CN(C)Cc2cn(C)nc2C2CC2)c1C ZINC000894581700 1122876209 /nfs/dbraw/zinc/87/62/09/1122876209.db2.gz MMSLUQDGXCJABN-UHFFFAOYSA-N 0 1 283.419 3.546 20 0 CHADMN Cc1cc(F)ncc1CNCc1ccc(C(C)(F)F)cc1 ZINC000894609595 1122878915 /nfs/dbraw/zinc/87/89/15/1122878915.db2.gz DFVWLLXJHKBITJ-UHFFFAOYSA-N 0 1 294.320 3.931 20 0 CHADMN C[C@H]1CN(CCc2ccccc2Cl)CC2(CCC2)O1 ZINC001195758404 1122885247 /nfs/dbraw/zinc/88/52/47/1122885247.db2.gz RHRXHHLVOOMEHR-ZDUSSCGKSA-N 0 1 279.811 3.526 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)C[C@H](O)CC1CCCC1 ZINC000473750341 1122885653 /nfs/dbraw/zinc/88/56/53/1122885653.db2.gz WVPVRGXKUYGMCK-IUODEOHRSA-N 0 1 297.389 3.899 20 0 CHADMN c1ccc2c(c1)CC[C@@H]2CCNCc1nnc(C2CC2)s1 ZINC000894668093 1122887443 /nfs/dbraw/zinc/88/74/43/1122887443.db2.gz PZQCXRGQUFEPCD-CYBMUJFWSA-N 0 1 299.443 3.625 20 0 CHADMN CC[C@@H](C)CN1CCN(c2cc(OC)ccc2Cl)CC1 ZINC001195778263 1122887569 /nfs/dbraw/zinc/88/75/69/1122887569.db2.gz QTRBIOGNFZUDIK-CYBMUJFWSA-N 0 1 296.842 3.517 20 0 CHADMN Cc1cccc(OCCN2CC(C)(C)[C@@H]2c2ccncc2)c1 ZINC000664836928 1122890915 /nfs/dbraw/zinc/89/09/15/1122890915.db2.gz LNJLPFKRCXIUPX-SFHVURJKSA-N 0 1 296.414 3.852 20 0 CHADMN Cc1ccc(C(=O)CCN2CCc3ccccc3C2)cc1 ZINC000049875805 1122894802 /nfs/dbraw/zinc/89/48/02/1122894802.db2.gz LBDFIWGGWSVKRV-UHFFFAOYSA-N 0 1 279.383 3.626 20 0 CHADMN OCCN(Cc1c(F)cccc1Cl)C1CCCCC1 ZINC000049854671 1122895339 /nfs/dbraw/zinc/89/53/39/1122895339.db2.gz AGDMCHZMENVWFV-UHFFFAOYSA-N 0 1 285.790 3.606 20 0 CHADMN CCOc1cc(F)c(CN2CCC[C@H]2C(C)C)c(F)c1 ZINC001143575627 1122896142 /nfs/dbraw/zinc/89/61/42/1122896142.db2.gz GCBVYTSPMAVOIR-INIZCTEOSA-N 0 1 283.362 3.984 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(C2CC2)c1 ZINC000262052878 1122901024 /nfs/dbraw/zinc/90/10/24/1122901024.db2.gz CZEARALOBLSKKL-SQNIBIBYSA-N 0 1 299.414 3.782 20 0 CHADMN CC[C@H](c1cccc(OC)c1)N(C)Cc1ocnc1C ZINC000894784330 1122905988 /nfs/dbraw/zinc/90/59/88/1122905988.db2.gz IURVYOGMHXGJTR-OAHLLOKOSA-N 0 1 274.364 3.575 20 0 CHADMN C[C@H]1Oc2ccccc2[C@@H]1NCc1cccc2c1NCCC2 ZINC000894785918 1122906063 /nfs/dbraw/zinc/90/60/63/1122906063.db2.gz AGHOHDFKALCGKI-FZKQIMNGSA-N 0 1 294.398 3.657 20 0 CHADMN CCCC[C@@H](CC)CCCN(C)Cc1cc[nH]n1 ZINC001196275757 1122915452 /nfs/dbraw/zinc/91/54/52/1122915452.db2.gz ONUZMLKTPDOTIR-CQSZACIVSA-N 0 1 251.418 3.838 20 0 CHADMN CC1(C(=O)Nc2ncc(C(F)(F)F)[nH]2)CCCCCC1 ZINC000507022154 1122920544 /nfs/dbraw/zinc/92/05/44/1122920544.db2.gz NAYIUBSFBGZVPD-UHFFFAOYSA-N 0 1 289.301 3.728 20 0 CHADMN C[C@H]1COC2(CCCC2)CN1CCSc1ccccc1 ZINC001196403014 1122921358 /nfs/dbraw/zinc/92/13/58/1122921358.db2.gz RNOKTTOZWQNISL-HNNXBMFYSA-N 0 1 291.460 3.812 20 0 CHADMN CCc1cnc(N=C2CCC(C(F)(F)F)CC2)cn1 ZINC001196767742 1122932307 /nfs/dbraw/zinc/93/23/07/1122932307.db2.gz NARDQKUHGSAPGF-VIFPVBQESA-N 0 1 271.286 3.697 20 0 CHADMN Cc1ccc(CN(C)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)o1 ZINC000929213441 1129087518 /nfs/dbraw/zinc/08/75/18/1129087518.db2.gz ICCADXZZAITOBA-AAEUAGOBSA-N 0 1 291.313 3.520 20 0 CHADMN CC(C)N(Cc1ccn(C)c1)Cc1ccccc1F ZINC000507155003 1122933841 /nfs/dbraw/zinc/93/38/41/1122933841.db2.gz MOCGSKWBEBJCKG-UHFFFAOYSA-N 0 1 260.356 3.575 20 0 CHADMN CO[C@H]1CC[C@@H](C)N(Cc2nc3cc(C)ccc3s2)C1 ZINC001196888515 1122937251 /nfs/dbraw/zinc/93/72/51/1122937251.db2.gz OHXZYYXANGKSOI-OLZOCXBDSA-N 0 1 290.432 3.604 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](C)Cc1ccccc1-c1ccnn1C ZINC000507188527 1122937300 /nfs/dbraw/zinc/93/73/00/1122937300.db2.gz GJTVVRPPTRXPHU-CQSZACIVSA-N 0 1 295.386 3.873 20 0 CHADMN CCCC[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)C1CC1 ZINC000507221739 1122938003 /nfs/dbraw/zinc/93/80/03/1122938003.db2.gz NQDVUTRYJKQDIP-UHFFFAOYSA-N 0 1 287.382 3.776 20 0 CHADMN CCN(Cc1ncc(CSC)s1)C1CCCC1 ZINC000507230006 1122941007 /nfs/dbraw/zinc/94/10/07/1122941007.db2.gz NNSXMWWUKPTQHF-UHFFFAOYSA-N 0 1 270.467 3.771 20 0 CHADMN C[C@@H](c1ccccc1)N(C)CC(=O)NC1CCCCCC1 ZINC000015372008 1122941588 /nfs/dbraw/zinc/94/15/88/1122941588.db2.gz ZWLVGMAPAINFAF-HNNXBMFYSA-N 0 1 288.435 3.518 20 0 CHADMN Fc1cccc(CN2C[C@@H]3CCC[C@@H]3C2)c1Br ZINC000160158891 1122943464 /nfs/dbraw/zinc/94/34/64/1122943464.db2.gz MIZXUDKGSBKJAY-PHIMTYICSA-N 0 1 298.199 3.820 20 0 CHADMN Oc1ccc(F)c(CN2CC[C@H](c3ccccc3)C2)c1F ZINC000507264315 1122945680 /nfs/dbraw/zinc/94/56/80/1122945680.db2.gz DXHAQGPFZFQJNC-ZDUSSCGKSA-N 0 1 289.325 3.660 20 0 CHADMN CCOC(=O)CNC(C1CCCCC1)C1CCCCC1 ZINC001197264934 1122950255 /nfs/dbraw/zinc/95/02/55/1122950255.db2.gz QHSMQDFLGYJZQJ-UHFFFAOYSA-N 0 1 281.440 3.668 20 0 CHADMN CCC[C@@H](C)N1CCc2c3cc(OC)ccc3[nH]c2C1 ZINC001197340717 1122954822 /nfs/dbraw/zinc/95/48/22/1122954822.db2.gz CKSKDQOIAUWPTC-GFCCVEGCSA-N 0 1 272.392 3.723 20 0 CHADMN Cc1nccc(CN(Cc2cccc(F)c2)C2CCCC2)n1 ZINC000507427088 1122954983 /nfs/dbraw/zinc/95/49/83/1122954983.db2.gz WOGNVHVWCOLSDI-UHFFFAOYSA-N 0 1 299.393 3.869 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000507472104 1122957525 /nfs/dbraw/zinc/95/75/25/1122957525.db2.gz QJXANRDIRRAKGH-CHWSQXEVSA-N 0 1 298.386 3.785 20 0 CHADMN COc1cc2c(cc1OC)[C@@H](C)N(CC=C(C)C)CC2 ZINC001197496364 1122958996 /nfs/dbraw/zinc/95/89/96/1122958996.db2.gz JFIXIOUWROIYSO-CYBMUJFWSA-N 0 1 275.392 3.589 20 0 CHADMN C[C@H]1c2ccc(F)cc2CCN1CCOCC1CCC1 ZINC001197497298 1122959023 /nfs/dbraw/zinc/95/90/23/1122959023.db2.gz PLCZKPSJDHJBNB-ZDUSSCGKSA-N 0 1 277.383 3.562 20 0 CHADMN CO[C@@]1(C)CCCN([C@H](C)c2c(F)cccc2F)C1 ZINC000348223391 1122959291 /nfs/dbraw/zinc/95/92/91/1122959291.db2.gz GSDXSPKXXPLKGE-ABAIWWIYSA-N 0 1 269.335 3.527 20 0 CHADMN Cc1cc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)cc(Cl)n1 ZINC001197719314 1122966862 /nfs/dbraw/zinc/96/68/62/1122966862.db2.gz HOGDCXXXCREMIM-FUHWJXTLSA-N 0 1 298.817 3.817 20 0 CHADMN C[C@H](c1cccc(Cl)c1)N1Cc2c[nH]nc2C[C@H](C)C1 ZINC001197785895 1122969280 /nfs/dbraw/zinc/96/92/80/1122969280.db2.gz LHUOVKRNNLLPSP-NWDGAFQWSA-N 0 1 289.810 3.819 20 0 CHADMN CCCCC[C@H](CC)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000775806279 1122977905 /nfs/dbraw/zinc/97/79/05/1122977905.db2.gz YQALCGDNDLZJTD-STQMWFEESA-N 0 1 294.443 3.712 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C(C)(C)C1 ZINC000334277813 1122980551 /nfs/dbraw/zinc/98/05/51/1122980551.db2.gz DPBDJAJAOPLDCD-YPMHNXCESA-N 0 1 280.437 3.615 20 0 CHADMN Cc1cc([C@H]2CCCCN2Cc2c(C)nsc2C)n[nH]1 ZINC001198130928 1122981648 /nfs/dbraw/zinc/98/16/48/1122981648.db2.gz LGUGPEKFDWPJSG-OAHLLOKOSA-N 0 1 290.436 3.519 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCOC3(CCCCC3)C2)no1 ZINC000334308813 1122985152 /nfs/dbraw/zinc/98/51/52/1122985152.db2.gz IYABNYYDUUNFHL-KBPBESRZSA-N 0 1 278.396 3.516 20 0 CHADMN CC[C@@H](C)N(CC(=O)Nc1ccccc1)Cc1ccccc1 ZINC000507684312 1122986064 /nfs/dbraw/zinc/98/60/64/1122986064.db2.gz RUEDGGUGOHTCNZ-MRXNPFEDSA-N 0 1 296.414 3.926 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NC(=O)c2[nH]nc3c2CC[C@H]3C)c1 ZINC001198461114 1122993477 /nfs/dbraw/zinc/99/34/77/1122993477.db2.gz AKJRBQULWSANHC-CHWSQXEVSA-N 0 1 297.402 3.567 20 0 CHADMN CCOC(=O)[C@H](C)N(C)CC1CCC(C(C)(C)C)CC1 ZINC001198563416 1122997990 /nfs/dbraw/zinc/99/79/90/1122997990.db2.gz LLRRWZRUQCFCJE-NFOMZHRRSA-N 0 1 283.456 3.722 20 0 CHADMN Fc1ccc(CN[C@H]2CCc3cc(Cl)ccc32)nc1 ZINC000334371594 1122999489 /nfs/dbraw/zinc/99/94/89/1122999489.db2.gz PZWUHPSZWJGPQY-HNNXBMFYSA-N 0 1 276.742 3.651 20 0 CHADMN C[C@@H]1CCC(F)(F)CN1C[C@H]1CC2CCC1CC2 ZINC001198640636 1123003050 /nfs/dbraw/zinc/00/30/50/1123003050.db2.gz FLSFBXHZYHOBOS-BLYZHGLHSA-N 0 1 257.368 3.932 20 0 CHADMN COc1cccc(CN[C@H](C)c2ncccc2C)c1C ZINC001198641649 1123003534 /nfs/dbraw/zinc/00/35/34/1123003534.db2.gz TVSKFPKAXASQRK-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN CC[C@H](F)CN1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000440526014 1123010988 /nfs/dbraw/zinc/01/09/88/1123010988.db2.gz WMIYQJLHGXOFAP-BZPMIXESSA-N 0 1 265.372 3.751 20 0 CHADMN Cc1nc(CNCCSc2ccc(Cl)cc2)[nH]c1C ZINC000519652600 1123013106 /nfs/dbraw/zinc/01/31/06/1123013106.db2.gz QQGCFQZUEZALIL-UHFFFAOYSA-N 0 1 295.839 3.562 20 0 CHADMN Cc1cc(CNCc2cc3cccnc3o2)ccc1F ZINC001199076994 1123020392 /nfs/dbraw/zinc/02/03/92/1123020392.db2.gz BTEJOEIEOPWCMF-UHFFFAOYSA-N 0 1 270.307 3.565 20 0 CHADMN CC[C@@H](F)CN1CCC[C@H](c2nc(C)c(C)s2)C1 ZINC000440697087 1123029499 /nfs/dbraw/zinc/02/94/99/1123029499.db2.gz KYTMEAQLSOTEKS-QWHCGFSZSA-N 0 1 270.417 3.687 20 0 CHADMN CC[C@H](F)CN1CCSC[C@H]1c1ccc(C)cc1 ZINC000440700016 1123030020 /nfs/dbraw/zinc/03/00/20/1123030020.db2.gz FDNXDIPOHGDOTN-GJZGRUSLSA-N 0 1 267.413 3.833 20 0 CHADMN CSc1cccc(NCc2ccnn2-c2ccncc2)c1 ZINC001199491143 1123030795 /nfs/dbraw/zinc/03/07/95/1123030795.db2.gz RRAZUUBOUCHTFV-UHFFFAOYSA-N 0 1 296.399 3.601 20 0 CHADMN CC[C@@H](F)CN1CCC(Oc2ccc(C)cc2)CC1 ZINC000440702594 1123031125 /nfs/dbraw/zinc/03/11/25/1123031125.db2.gz PEGMZQUTQQWRKS-CQSZACIVSA-N 0 1 265.372 3.586 20 0 CHADMN COc1ncccc1CNCc1ccc(C(C)(C)C)cc1 ZINC000037408055 1123031432 /nfs/dbraw/zinc/03/14/32/1123031432.db2.gz JYVXKTQRWXLWDE-UHFFFAOYSA-N 0 1 284.403 3.678 20 0 CHADMN C[C@@H]1CCCCN(Cc2occc2Br)C1 ZINC000775995079 1123033804 /nfs/dbraw/zinc/03/38/04/1123033804.db2.gz ADNDLVOPVWCLJY-SNVBAGLBSA-N 0 1 272.186 3.664 20 0 CHADMN CC(C)CCN(C(=O)c1cc(C2CC2)[nH]n1)C1CCCC1 ZINC000519885132 1123034961 /nfs/dbraw/zinc/03/49/61/1123034961.db2.gz LLAWMDGFCXRYBX-UHFFFAOYSA-N 0 1 289.423 3.718 20 0 CHADMN CC[C@@H](F)CN1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000440775937 1123037543 /nfs/dbraw/zinc/03/75/43/1123037543.db2.gz BRBOSNSCTPCACL-TZMCWYRMSA-N 0 1 271.763 3.541 20 0 CHADMN CC[C@@H](F)CN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000440784988 1123040150 /nfs/dbraw/zinc/04/01/50/1123040150.db2.gz VXOCVYQJDMRKDM-UKRRQHHQSA-N 0 1 281.346 3.611 20 0 CHADMN Cc1ccc([C@H](C)NCc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000440808257 1123042984 /nfs/dbraw/zinc/04/29/84/1123042984.db2.gz PYHUTRLYOTUWQC-JTQLQIEISA-N 0 1 283.297 3.588 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1cnsc1 ZINC001200864255 1123062054 /nfs/dbraw/zinc/06/20/54/1123062054.db2.gz UEVPMMOSAFZBHL-MEBBXXQBSA-N 0 1 276.380 3.695 20 0 CHADMN CC[C@H](CNCc1cnc(C)o1)Oc1cccc(Cl)c1 ZINC001200978698 1123065775 /nfs/dbraw/zinc/06/57/75/1123065775.db2.gz DRXGLRYCKFIWBP-CYBMUJFWSA-N 0 1 294.782 3.584 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000441185643 1123066573 /nfs/dbraw/zinc/06/65/73/1123066573.db2.gz UBVADKIDZMARBA-MRXNPFEDSA-N 0 1 287.382 3.776 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@@H]1CCc2c1cccc2Cl ZINC000520252994 1123068811 /nfs/dbraw/zinc/06/88/11/1123068811.db2.gz MZQGRULGGISNRC-BDJLRTHQSA-N 0 1 287.794 3.777 20 0 CHADMN Cc1ccc(SCCN2CCOCC23CCC3)cc1C ZINC000441233472 1123069449 /nfs/dbraw/zinc/06/94/49/1123069449.db2.gz MMMCZOFICPOAOI-UHFFFAOYSA-N 0 1 291.460 3.650 20 0 CHADMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)CC3CC3)n2)cc1 ZINC000520340053 1123077422 /nfs/dbraw/zinc/07/74/22/1123077422.db2.gz SSHAPYDVEAHGEN-UHFFFAOYSA-N 0 1 298.390 3.508 20 0 CHADMN CCCOc1c(F)c(F)c(Nc2ncco2)c(F)c1F ZINC001201299119 1123085649 /nfs/dbraw/zinc/08/56/49/1123085649.db2.gz CCBOUGCJQAUDEI-UHFFFAOYSA-N 0 1 290.216 3.763 20 0 CHADMN Cc1ccc(CNc2ccc3c[nH]nc3c2)cc1F ZINC000083409858 1123086368 /nfs/dbraw/zinc/08/63/68/1123086368.db2.gz ZOHOSQZTJRVSQX-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(F)ccc2F)cc1 ZINC000070165609 1123089376 /nfs/dbraw/zinc/08/93/76/1123089376.db2.gz ALPWBMJWWGPOLS-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN COc1ccc(CNC/C=C\c2ccc(F)cc2)c(F)c1 ZINC001201408636 1123093730 /nfs/dbraw/zinc/09/37/30/1123093730.db2.gz WYRPCWGOGGJZSO-IHWYPQMZSA-N 0 1 289.325 3.776 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@H](COC)c2ccco2)C1(CC)CC ZINC000776162795 1123096410 /nfs/dbraw/zinc/09/64/10/1123096410.db2.gz LYLAFUFEUXUBQU-VNQPRFMTSA-N 0 1 295.423 3.541 20 0 CHADMN FC(F)(F)c1n[nH]c2c1CCN(C[C@@H]1CC=CCC1)C2 ZINC001201426342 1123100333 /nfs/dbraw/zinc/10/03/33/1123100333.db2.gz DEMGJKGMBCYFHP-ZWNOBZJWSA-N 0 1 285.313 3.699 20 0 CHADMN CCCCC[C@@H](NCc1csnn1)C(C)(C)C ZINC000776175163 1123102449 /nfs/dbraw/zinc/10/24/49/1123102449.db2.gz LROSJUMDHYZAKH-GFCCVEGCSA-N 0 1 255.431 3.623 20 0 CHADMN CCOCCNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000123854084 1123104257 /nfs/dbraw/zinc/10/42/57/1123104257.db2.gz FKMLJCOVMDJDCQ-UHFFFAOYSA-N 0 1 284.281 3.702 20 0 CHADMN COc1ccnc(Nc2ccc(NC(C)C)cc2)c1 ZINC001201486985 1123107546 /nfs/dbraw/zinc/10/75/46/1123107546.db2.gz DOOZXLVLNDWAMV-UHFFFAOYSA-N 0 1 257.337 3.654 20 0 CHADMN C[C@@H](NCC12CCC(CC1)C2)c1nc(C(C)(C)C)no1 ZINC000328780522 1123110212 /nfs/dbraw/zinc/11/02/12/1123110212.db2.gz FKIIWTWNJAUOFZ-OPGSHWCFSA-N 0 1 277.412 3.598 20 0 CHADMN CC(C)CCc1noc(CN2CC(C)(C)[C@H]3CCC[C@@H]32)n1 ZINC000520434975 1123113342 /nfs/dbraw/zinc/11/33/42/1123113342.db2.gz MVMHIUOGHFVKEG-KBPBESRZSA-N 0 1 291.439 3.669 20 0 CHADMN CC[C@@H]1CCN(Cc2ccc(F)cc2Br)C1 ZINC000161648317 1123122226 /nfs/dbraw/zinc/12/22/26/1123122226.db2.gz DZWZQPNXXFEKNT-SNVBAGLBSA-N 0 1 286.188 3.820 20 0 CHADMN CCSCCN1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000441449413 1123128741 /nfs/dbraw/zinc/12/87/41/1123128741.db2.gz QQJFXAMAPULXMQ-NVXWUHKLSA-N 0 1 293.476 3.818 20 0 CHADMN CC(C)CC[N@H+]1CCSC[C@H]1c1ccc(F)cc1 ZINC001201623893 1123132695 /nfs/dbraw/zinc/13/26/95/1123132695.db2.gz DDACGYFGLQBUIH-HNNXBMFYSA-N 0 1 267.413 3.962 20 0 CHADMN CC(C)CCN1CC2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001201623950 1123132942 /nfs/dbraw/zinc/13/29/42/1123132942.db2.gz GZRLVWSRGMTHPN-UHFFFAOYSA-N 0 1 296.455 3.508 20 0 CHADMN Cc1nc(CN[C@H]2c3ccccc3CC[C@@H]2C)cs1 ZINC001201674964 1123133777 /nfs/dbraw/zinc/13/37/77/1123133777.db2.gz FWTVYDGKEXOOEP-MEDUHNTESA-N 0 1 272.417 3.865 20 0 CHADMN F[C@@H]1CN(CCCc2ccccc2)CCCC1(F)F ZINC001201652908 1123136738 /nfs/dbraw/zinc/13/67/38/1123136738.db2.gz MZAUBJWNPNZZET-CQSZACIVSA-N 0 1 271.326 3.688 20 0 CHADMN CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C2=CCCC[C@@H]21 ZINC001201722952 1123140800 /nfs/dbraw/zinc/14/08/00/1123140800.db2.gz MDYNXJLVQLKZQJ-AWEZNQCLSA-N 0 1 294.439 3.776 20 0 CHADMN CCCCN1CCN(C(=O)OC(C)(C)C)C2=CCCC[C@@H]21 ZINC001201722952 1123140805 /nfs/dbraw/zinc/14/08/05/1123140805.db2.gz MDYNXJLVQLKZQJ-AWEZNQCLSA-N 0 1 294.439 3.776 20 0 CHADMN CCCCCN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001201737478 1123143411 /nfs/dbraw/zinc/14/34/11/1123143411.db2.gz PIJMZQUXWBJCHX-LLVKDONJSA-N 0 1 261.291 3.533 20 0 CHADMN CCCCCCN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001201756244 1123146103 /nfs/dbraw/zinc/14/61/03/1123146103.db2.gz GMUUNXJHWPWRAT-LBPRGKRZSA-N 0 1 275.318 3.923 20 0 CHADMN CC(C)CCc1noc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)n1 ZINC000441482396 1123146452 /nfs/dbraw/zinc/14/64/52/1123146452.db2.gz CSPUTMYXMLJYEC-RBSFLKMASA-N 0 1 291.439 3.811 20 0 CHADMN CCOc1ccc(Cl)cc1CNCc1cncc(C)c1 ZINC001201769475 1123148552 /nfs/dbraw/zinc/14/85/52/1123148552.db2.gz HFWBFBALHJFQBS-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN CCCCC[N@H+]1CCO[C@@](C)(c2ccc(C)cc2)C1 ZINC001201735528 1123149646 /nfs/dbraw/zinc/14/96/46/1123149646.db2.gz UBPPUMRZIBRHMP-QGZVFWFLSA-N 0 1 261.409 3.733 20 0 CHADMN Cc1ccc(OCCNCc2ccc(Cl)o2)c(C)c1 ZINC000620879443 1129102281 /nfs/dbraw/zinc/10/22/81/1129102281.db2.gz AWOGBXARZLHMAN-UHFFFAOYSA-N 0 1 279.767 3.718 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnn(C(C)C)c1)c1c(C)noc1C ZINC000090887555 1123156535 /nfs/dbraw/zinc/15/65/35/1123156535.db2.gz KECDDBWALDEVMS-NHYWBVRUSA-N 0 1 290.411 3.871 20 0 CHADMN CCC1(CC)C[N@@H+](CCCC2CCCC2)CC[S@@]1=O ZINC000346026160 1123159333 /nfs/dbraw/zinc/15/93/33/1123159333.db2.gz ZQOQFKUAOBBTPU-IBGZPJMESA-N 0 1 285.497 3.580 20 0 CHADMN CCC1(CC)CN(CCCC2CCCC2)CC[S@@]1=O ZINC000346026160 1123159336 /nfs/dbraw/zinc/15/93/36/1123159336.db2.gz ZQOQFKUAOBBTPU-IBGZPJMESA-N 0 1 285.497 3.580 20 0 CHADMN Clc1cccc([C@H]2CSCCN2CC2CC2)c1 ZINC001201942923 1123160974 /nfs/dbraw/zinc/16/09/74/1123160974.db2.gz WGADNGJKDYEBNN-CQSZACIVSA-N 0 1 267.825 3.840 20 0 CHADMN C[C@H]1CCCC[C@@H]1OCCN(C)Cc1ccc(Cl)nc1 ZINC000749155479 1123166422 /nfs/dbraw/zinc/16/64/22/1123166422.db2.gz HLXMRTVRAWGNBF-ZFWWWQNUSA-N 0 1 296.842 3.762 20 0 CHADMN CO[C@H](C)C[N@@H+](Cc1cnc(C2CCC2)s1)C(C)C ZINC000353794015 1123170689 /nfs/dbraw/zinc/17/06/89/1123170689.db2.gz KFKPBOBXDXLWMV-GFCCVEGCSA-N 0 1 282.453 3.656 20 0 CHADMN CCC(C)(C)[C@H]1CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000441555029 1123171371 /nfs/dbraw/zinc/17/13/71/1123171371.db2.gz GNGPLEBVLUMQAJ-OAHLLOKOSA-N 0 1 285.391 3.604 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@H]1CCS[C@@H]1C ZINC000645399819 1123174376 /nfs/dbraw/zinc/17/43/76/1123174376.db2.gz VLJUQQGGQRKFPW-SKDRFNHKSA-N 0 1 292.379 3.688 20 0 CHADMN CC(C)CCc1nc(CN(C)CC2CCOCC2)cs1 ZINC000155800936 1129105901 /nfs/dbraw/zinc/10/59/01/1129105901.db2.gz BPNGHWLCXKEHSI-UHFFFAOYSA-N 0 1 296.480 3.590 20 0 CHADMN CCCCc1noc([C@H](C)N[C@@H]2CCCC2(C)C)n1 ZINC000191860518 1123182336 /nfs/dbraw/zinc/18/23/36/1123182336.db2.gz QHNIKUICHFDTCM-NWDGAFQWSA-N 0 1 265.401 3.642 20 0 CHADMN CCC1CC(N[C@@H](c2ccccn2)c2ccccc2OC)C1 ZINC000520596124 1123182851 /nfs/dbraw/zinc/18/28/51/1123182851.db2.gz SLQBWYUOBHDZGB-JFIBYHEFSA-N 0 1 296.414 3.958 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@H](C)Cc3ccccc3)[nH]c2c1 ZINC000520597498 1123183312 /nfs/dbraw/zinc/18/33/12/1123183312.db2.gz PRJQPPLDLOQZRS-CYBMUJFWSA-N 0 1 293.370 3.689 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CC[C@@H]1c1ccccc1 ZINC000053080488 1123193326 /nfs/dbraw/zinc/19/33/26/1123193326.db2.gz HQKULZHMVFEBRL-CQSZACIVSA-N 0 1 287.746 3.633 20 0 CHADMN COC(C)(C)[C@H](C)NCc1coc(-c2ccc(C)cc2)n1 ZINC000645414103 1123196455 /nfs/dbraw/zinc/19/64/55/1123196455.db2.gz ZWKRUEAGVVYRNZ-ZDUSSCGKSA-N 0 1 288.391 3.553 20 0 CHADMN CO[C@H]1CCCC[C@@H]1NCc1csc(C2CCCC2)n1 ZINC000429498515 1123201971 /nfs/dbraw/zinc/20/19/71/1123201971.db2.gz QWHWZFXGNYDRSW-GJZGRUSLSA-N 0 1 294.464 3.848 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)[C@H]1CO ZINC000441716315 1123206790 /nfs/dbraw/zinc/20/67/90/1123206790.db2.gz OIOCRNBVPWHQLE-YGRLFVJLSA-N 0 1 288.218 3.586 20 0 CHADMN C[C@H]1CN(Cc2nnc(-c3ccccc3)s2)CC[C@@H]1C ZINC000155742330 1129105962 /nfs/dbraw/zinc/10/59/62/1129105962.db2.gz IBXDAHJRDOXPBA-STQMWFEESA-N 0 1 287.432 3.683 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC2(C1)CCOCC2 ZINC000334519913 1123207341 /nfs/dbraw/zinc/20/73/41/1123207341.db2.gz UPZSFUQWQBQKSU-ZDUSSCGKSA-N 0 1 292.423 3.536 20 0 CHADMN COCC[C@@H](N[C@@H]1CCc2cc(C)ccc21)c1ccco1 ZINC000780744063 1123207760 /nfs/dbraw/zinc/20/77/60/1123207760.db2.gz JQJZEECRKONFQM-IAGOWNOFSA-N 0 1 285.387 3.943 20 0 CHADMN CCOc1cc(CN(C(C)C)C2CC2)c(F)cc1OC ZINC000529524055 1123213181 /nfs/dbraw/zinc/21/31/81/1123213181.db2.gz JRQDXKRGYFWYRG-UHFFFAOYSA-N 0 1 281.371 3.606 20 0 CHADMN Cc1noc([C@@H](C)[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)n1 ZINC000665174539 1123218673 /nfs/dbraw/zinc/21/86/73/1123218673.db2.gz UXROIJYPLQFXAD-CZUORRHYSA-N 0 1 297.402 3.709 20 0 CHADMN CCN(Cc1ccccc1)Cc1ccc(C(C)=O)cc1 ZINC000141624320 1123219803 /nfs/dbraw/zinc/21/98/03/1123219803.db2.gz SWAGIJOVMIQBMJ-UHFFFAOYSA-N 0 1 267.372 3.911 20 0 CHADMN CCc1cccc(-c2ccc(F)c(CN(C)C)c2)n1 ZINC000665199543 1123227640 /nfs/dbraw/zinc/22/76/40/1123227640.db2.gz MUQRLPJBAMLTDL-UHFFFAOYSA-N 0 1 258.340 3.512 20 0 CHADMN CCc1cnc(-c2ccc(F)c(CN(C)C)c2)s1 ZINC000665199915 1123227853 /nfs/dbraw/zinc/22/78/53/1123227853.db2.gz AZGPJZFRJNEBBG-UHFFFAOYSA-N 0 1 264.369 3.573 20 0 CHADMN Cc1cccc2ccnc(N[C@H]3CCO[C@@H](C)C3)c12 ZINC001161694888 1123229453 /nfs/dbraw/zinc/22/94/53/1123229453.db2.gz ATXJIIBBBPIKSK-JSGCOSHPSA-N 0 1 256.349 3.523 20 0 CHADMN COc1ccc2cc([C@@H](C)Sc3c[nH]nn3)ccc2c1 ZINC000156007010 1129108301 /nfs/dbraw/zinc/10/83/01/1129108301.db2.gz BVVWKMNWQFQKBV-SNVBAGLBSA-N 0 1 285.372 3.820 20 0 CHADMN Cc1nnsc1CN[C@@H]1CC[C@@H](C)c2ccsc21 ZINC000334530240 1123244138 /nfs/dbraw/zinc/24/41/38/1123244138.db2.gz IFBCDLXDBMZPDR-LDYMZIIASA-N 0 1 279.434 3.636 20 0 CHADMN CCn1cncc1CN1C[C@H](C)C[C@H]1c1ccccc1F ZINC000417795759 1123248271 /nfs/dbraw/zinc/24/82/71/1123248271.db2.gz RASYCNYXIDLBRP-DYVFJYSZSA-N 0 1 287.382 3.625 20 0 CHADMN Fc1cc(-c2ncco2)ccc1CN1CCC12CCC2 ZINC000334540130 1123249467 /nfs/dbraw/zinc/24/94/67/1123249467.db2.gz GYTLDKKVLIQUON-UHFFFAOYSA-N 0 1 272.323 3.609 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H](C)c2cccc(Cl)c2)cn1 ZINC000427822002 1123252154 /nfs/dbraw/zinc/25/21/54/1123252154.db2.gz QHNWSNFIOSXLII-VXGBXAGGSA-N 0 1 275.783 3.850 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@@H]2C2CCC2)c1Cl ZINC000507994634 1123253744 /nfs/dbraw/zinc/25/37/44/1123253744.db2.gz IMUJHYXKWVPYPW-CYBMUJFWSA-N 0 1 265.784 3.810 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@@H]2C2CCC2)c1Cl ZINC000507994634 1123253748 /nfs/dbraw/zinc/25/37/48/1123253748.db2.gz IMUJHYXKWVPYPW-CYBMUJFWSA-N 0 1 265.784 3.810 20 0 CHADMN Cc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)c(Cl)c1 ZINC000427835141 1123255098 /nfs/dbraw/zinc/25/50/98/1123255098.db2.gz ZQQWJXOPEFSZPP-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN Clc1cccc(N2CCCC2)c1CN[C@H]1C=CCC1 ZINC000850358904 1123256283 /nfs/dbraw/zinc/25/62/83/1123256283.db2.gz NYWTWHFWIFSHAW-ZDUSSCGKSA-N 0 1 276.811 3.748 20 0 CHADMN Cc1cc(Br)c(CN[C@H]2C=CCC2)s1 ZINC000850359728 1123256467 /nfs/dbraw/zinc/25/64/67/1123256467.db2.gz PFOWYJNJGVVFGH-VIFPVBQESA-N 0 1 272.211 3.627 20 0 CHADMN C[C@H](N[C@@H]1CCCN(C)c2ccccc21)c1ccccn1 ZINC000334579863 1123262841 /nfs/dbraw/zinc/26/28/41/1123262841.db2.gz OIUZBGUERJKGBD-WMLDXEAASA-N 0 1 281.403 3.704 20 0 CHADMN COc1ccc(CNC2(c3ccccc3C)CCC2)o1 ZINC000895137824 1123264401 /nfs/dbraw/zinc/26/44/01/1123264401.db2.gz SUJGIQGGQJHGJQ-UHFFFAOYSA-N 0 1 271.360 3.766 20 0 CHADMN Cc1csc(CN[C@H]2CCCc3c(C)cccc32)n1 ZINC000850411580 1123264722 /nfs/dbraw/zinc/26/47/22/1123264722.db2.gz FZJVVIXAMOHPRE-HNNXBMFYSA-N 0 1 272.417 3.927 20 0 CHADMN C[C@@H](NC1(C(=O)Nc2ccccc2)CC1)c1cccs1 ZINC000427967271 1123265523 /nfs/dbraw/zinc/26/55/23/1123265523.db2.gz UFAZOTIALWFULS-GFCCVEGCSA-N 0 1 286.400 3.570 20 0 CHADMN C[C@@H](CSCCF)N[C@@H](C)c1c(F)cccc1F ZINC000850426549 1123265723 /nfs/dbraw/zinc/26/57/23/1123265723.db2.gz WHRVLOSHKMTKBZ-UWVGGRQHSA-N 0 1 277.355 3.707 20 0 CHADMN C[C@@H](NC1(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000427978902 1123266582 /nfs/dbraw/zinc/26/65/82/1123266582.db2.gz FNUJFMDBWJQVKD-CQSZACIVSA-N 0 1 280.371 3.509 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc3cnccc3o2)c(C)o1 ZINC000850444162 1123267756 /nfs/dbraw/zinc/26/77/56/1123267756.db2.gz RAMKYHWCUSAJOR-NSHDSACASA-N 0 1 270.332 3.888 20 0 CHADMN COc1cc([C@H](C)N[C@@H](C)c2cc3cnccc3o2)ccn1 ZINC000850469416 1123271745 /nfs/dbraw/zinc/27/17/45/1123271745.db2.gz RKLJBZLYWWSMIP-RYUDHWBXSA-N 0 1 297.358 3.643 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc3c(c2)CCCO3)nc1C ZINC000850474612 1123272572 /nfs/dbraw/zinc/27/25/72/1123272572.db2.gz PJUGYKHCHAMCSP-HNNXBMFYSA-N 0 1 296.414 3.874 20 0 CHADMN CCO[C@@H]1C[C@@H](N(C)Cc2oc(C(C)C)nc2C)C1(C)C ZINC000428216029 1123281988 /nfs/dbraw/zinc/28/19/88/1123281988.db2.gz DLAUKBPOPIXOLN-HUUCEWRRSA-N 0 1 294.439 3.742 20 0 CHADMN COc1cc(C)ccc1[C@H](C)N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000850528733 1123282728 /nfs/dbraw/zinc/28/27/28/1123282728.db2.gz KKFVRRAMCLSKCE-MORSLUCNSA-N 0 1 297.398 3.833 20 0 CHADMN Cc1ccc([C@H]2CCCCN2Cc2n[nH]c(C(C)C)n2)cc1 ZINC000428217692 1123283279 /nfs/dbraw/zinc/28/32/79/1123283279.db2.gz KGMILPSWILAKRR-MRXNPFEDSA-N 0 1 298.434 3.964 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H](c3ccccc3)[C@@H](C)C2)n[nH]1 ZINC000428222864 1123283502 /nfs/dbraw/zinc/28/35/02/1123283502.db2.gz ABCMAOCPTJQTPC-GOEBONIOSA-N 0 1 298.434 3.554 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N(C)Cc2cc(C)ncn2)c1 ZINC000428237664 1123286940 /nfs/dbraw/zinc/28/69/40/1123286940.db2.gz LKYZLMLJAQHBMW-OAHLLOKOSA-N 0 1 269.392 3.595 20 0 CHADMN CCCN[C@H](C)c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000109514785 1123299079 /nfs/dbraw/zinc/29/90/79/1123299079.db2.gz GGPFYOSEYLHUBE-SECBINFHSA-N 0 1 297.761 3.514 20 0 CHADMN Clc1ncc(CNCc2ccc3c(c2)CCCC3)s1 ZINC000895153535 1123306696 /nfs/dbraw/zinc/30/66/96/1123306696.db2.gz OWUPMVXFGWSQMZ-UHFFFAOYSA-N 0 1 292.835 3.965 20 0 CHADMN Cc1nc2ccc(NC(=O)C3(CC(C)C)CC3)cc2[nH]1 ZINC000442264130 1123308242 /nfs/dbraw/zinc/30/82/42/1123308242.db2.gz RYEOVTGBFPKGDV-UHFFFAOYSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccnc(C)c1)CCCO2 ZINC000335163499 1123316579 /nfs/dbraw/zinc/31/65/79/1123316579.db2.gz HTGYOWAEMSXBTR-KRWDZBQOSA-N 0 1 282.387 3.702 20 0 CHADMN Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000428249788 1123316665 /nfs/dbraw/zinc/31/66/65/1123316665.db2.gz USRWQWHNVKVUAO-GJZGRUSLSA-N 0 1 298.434 3.615 20 0 CHADMN Cc1ccccc1[C@H]1C[C@H](C)N(Cc2nnc(C(C)C)[nH]2)C1 ZINC000428249788 1123316668 /nfs/dbraw/zinc/31/66/68/1123316668.db2.gz USRWQWHNVKVUAO-GJZGRUSLSA-N 0 1 298.434 3.615 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C)cc1Cl ZINC000335200386 1123321858 /nfs/dbraw/zinc/32/18/58/1123321858.db2.gz YIAFSGBTCCYKFW-UHFFFAOYSA-N 0 1 299.708 3.870 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@@H]1CCc2sc(Cl)cc21 ZINC000335183510 1123324254 /nfs/dbraw/zinc/32/42/54/1123324254.db2.gz YJUBRDVCCDXCHT-QPUJVOFHSA-N 0 1 295.839 3.782 20 0 CHADMN C[C@H](NC1(c2ccc(F)cc2)CC1)c1cncc(F)c1 ZINC000346793772 1123326908 /nfs/dbraw/zinc/32/69/08/1123326908.db2.gz JYMILFCSSCZPKZ-NSHDSACASA-N 0 1 274.314 3.700 20 0 CHADMN C[C@@H](NC1(c2ccc(F)cc2)CC1)c1cncs1 ZINC000346789895 1123328743 /nfs/dbraw/zinc/32/87/43/1123328743.db2.gz FGPIWCSNQSQODV-SNVBAGLBSA-N 0 1 262.353 3.622 20 0 CHADMN c1sc(C2CC2)nc1CN1CC[C@@H](C2CCC2)C1 ZINC000665288769 1123329952 /nfs/dbraw/zinc/32/99/52/1123329952.db2.gz XJQYXRZPJRMUKT-CYBMUJFWSA-N 0 1 262.422 3.643 20 0 CHADMN CC(C)c1nnc(CNC2CCC(C(F)F)CC2)s1 ZINC000442775405 1123337502 /nfs/dbraw/zinc/33/75/02/1123337502.db2.gz ANOMCWNPRQHKPX-UHFFFAOYSA-N 0 1 289.395 3.575 20 0 CHADMN CC[C@]1(C)CN(Cc2cc3ccccc3s2)CCO1 ZINC000442882697 1123347257 /nfs/dbraw/zinc/34/72/57/1123347257.db2.gz FKEDTQOZMLMGAQ-MRXNPFEDSA-N 0 1 275.417 3.902 20 0 CHADMN CCCN1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000443087247 1123355291 /nfs/dbraw/zinc/35/52/91/1123355291.db2.gz OYQWYKJYHRGWAP-CYBMUJFWSA-N 0 1 291.782 3.937 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2nccn2C(C)C)C1(CC)CC ZINC000191065662 1123363170 /nfs/dbraw/zinc/36/31/70/1123363170.db2.gz YUPYJANVXUIUAZ-CABCVRRESA-N 0 1 293.455 3.537 20 0 CHADMN Cc1ccc(Cc2noc([C@H](C)N3[C@H](C)CC[C@H]3C)n2)cc1 ZINC000443205262 1123364032 /nfs/dbraw/zinc/36/40/32/1123364032.db2.gz SBQCHYPRWFYDCZ-KFWWJZLASA-N 0 1 299.418 3.903 20 0 CHADMN Fc1cccc(C[C@H]2CCCN2Cc2cccc(F)n2)c1 ZINC000851728249 1123375253 /nfs/dbraw/zinc/37/52/53/1123375253.db2.gz JVNLUXQMDJQZHE-MRXNPFEDSA-N 0 1 288.341 3.567 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1Cc1cccc(F)n1 ZINC000851731375 1123375962 /nfs/dbraw/zinc/37/59/62/1123375962.db2.gz OAZWVDDTMGHVKS-MRXNPFEDSA-N 0 1 270.351 3.866 20 0 CHADMN CC(C)c1cccc(CN(C)Cc2cccc(C(N)=O)c2)c1 ZINC000851734270 1123375973 /nfs/dbraw/zinc/37/59/73/1123375973.db2.gz PUHCHEBJIQZKIE-UHFFFAOYSA-N 0 1 296.414 3.541 20 0 CHADMN Fc1ccc2nc(-c3ccc(OC(F)F)cc3)[nH]c2c1 ZINC000070285501 1123382308 /nfs/dbraw/zinc/38/23/08/1123382308.db2.gz KRQVVQQEZCNQNG-UHFFFAOYSA-N 0 1 278.233 3.970 20 0 CHADMN CC(C)[C@H](NCc1cccc(F)n1)c1ccc(F)cc1 ZINC000851820108 1123383644 /nfs/dbraw/zinc/38/36/44/1123383644.db2.gz RAZAEUHPWSDVCJ-INIZCTEOSA-N 0 1 276.330 3.847 20 0 CHADMN FC(F)OCCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000851840892 1123384673 /nfs/dbraw/zinc/38/46/73/1123384673.db2.gz LAKMZPKFQIMURC-OAHLLOKOSA-N 0 1 294.345 3.934 20 0 CHADMN Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCOC(F)F ZINC000851867268 1123385450 /nfs/dbraw/zinc/38/54/50/1123385450.db2.gz CBIGTHKSPAIGQF-SNVBAGLBSA-N 0 1 292.395 3.807 20 0 CHADMN Cc1nc(C(C)C)sc1[C@@H](C)N(C)CCOC(F)F ZINC000851867268 1123385452 /nfs/dbraw/zinc/38/54/52/1123385452.db2.gz CBIGTHKSPAIGQF-SNVBAGLBSA-N 0 1 292.395 3.807 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000443410148 1123393645 /nfs/dbraw/zinc/39/36/45/1123393645.db2.gz YWLBRQMOVZGMFV-TXEJJXNPSA-N 0 1 287.325 3.623 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000335680217 1123394845 /nfs/dbraw/zinc/39/48/45/1123394845.db2.gz ZGDGQMOHUZTWPH-CQSZACIVSA-N 0 1 297.402 3.900 20 0 CHADMN FC(F)OCC[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000852155915 1123398065 /nfs/dbraw/zinc/39/80/65/1123398065.db2.gz NOAVABVQQDKAHT-CQSZACIVSA-N 0 1 281.346 3.843 20 0 CHADMN FC(F)OCCN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000852155915 1123398069 /nfs/dbraw/zinc/39/80/69/1123398069.db2.gz NOAVABVQQDKAHT-CQSZACIVSA-N 0 1 281.346 3.843 20 0 CHADMN C[C@@H](NCc1csc(C(F)(F)F)n1)C(C)(C)C ZINC000895181011 1123398873 /nfs/dbraw/zinc/39/88/73/1123398873.db2.gz DJNSEFFRVACTCL-SSDOTTSWSA-N 0 1 266.332 3.686 20 0 CHADMN O=C1[C@@H]2CCCCCCC2=NN1c1nc2ccccc2o1 ZINC000634586916 1129119207 /nfs/dbraw/zinc/11/92/07/1129119207.db2.gz ZWFGMCSHVJRFNO-LLVKDONJSA-N 0 1 283.331 3.501 20 0 CHADMN CN(Cc1cc(Br)c(Cl)s1)C1CC1 ZINC000191231386 1123400204 /nfs/dbraw/zinc/40/02/04/1123400204.db2.gz YCTHVZVGEGNGLG-UHFFFAOYSA-N 0 1 280.618 3.758 20 0 CHADMN CCCC1=NN(c2nccc3sccc32)C(=O)[C@H]1CC ZINC000634596287 1129119701 /nfs/dbraw/zinc/11/97/01/1129119701.db2.gz BLCPUFMUNOKBKS-JTQLQIEISA-N 0 1 287.388 3.825 20 0 CHADMN Clc1ccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)cn1 ZINC000852595183 1123409763 /nfs/dbraw/zinc/40/97/63/1123409763.db2.gz GQZRGCWKRJSILT-LSDHHAIUSA-N 0 1 294.826 3.516 20 0 CHADMN c1nc(CN2CCCC[C@@H]2CC2CCC2)cs1 ZINC000852711627 1123413055 /nfs/dbraw/zinc/41/30/55/1123413055.db2.gz HDQSXZKJUKGQCA-CQSZACIVSA-N 0 1 250.411 3.688 20 0 CHADMN C[C@@H](c1ccccc1)N1N=C2c3ccccc3CC[C@H]2C1=O ZINC000634599344 1129119997 /nfs/dbraw/zinc/11/99/97/1129119997.db2.gz GMOLHAXCYCNIJV-SUMWQHHRSA-N 0 1 290.366 3.557 20 0 CHADMN CCCCCC[C@H](CC)CN(C)[C@@H](C)c1nncn1C ZINC000852724568 1123413607 /nfs/dbraw/zinc/41/36/07/1123413607.db2.gz GWQSXWSBICVJKQ-GJZGRUSLSA-N 0 1 280.460 3.805 20 0 CHADMN CN(Cc1cccnc1Cl)C[C@H]1CCc2ccccc21 ZINC000852725205 1123414062 /nfs/dbraw/zinc/41/40/62/1123414062.db2.gz YGBNNRYEBOMYMQ-CQSZACIVSA-N 0 1 286.806 3.897 20 0 CHADMN Cc1ccc2nc(SC[C@H](F)C(F)(F)F)[nH]c2c1 ZINC000443478984 1123415315 /nfs/dbraw/zinc/41/53/15/1123415315.db2.gz VUAUBVGLJHDQIU-VIFPVBQESA-N 0 1 278.274 3.864 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@@H]3CCCC[C@@H]32)o1 ZINC000852787296 1123415712 /nfs/dbraw/zinc/41/57/12/1123415712.db2.gz LLJZIBKOZVFCAL-KBPBESRZSA-N 0 1 262.397 3.953 20 0 CHADMN CC12CC(C1)CN2C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000852785872 1123416192 /nfs/dbraw/zinc/41/61/92/1123416192.db2.gz ILLHTGDGZHWNBV-JRZRUSQNSA-N 0 1 286.202 3.511 20 0 CHADMN Cc1ccc(CC(=O)Nc2cc(Cl)c(O)cc2F)s1 ZINC000335724313 1123417884 /nfs/dbraw/zinc/41/78/84/1123417884.db2.gz ZCELFGIDPJQABZ-UHFFFAOYSA-N 0 1 299.754 3.736 20 0 CHADMN O=C1[C@@H]2CCCCCCC2=NN1c1ccnc2ccccc21 ZINC000634602814 1129120835 /nfs/dbraw/zinc/12/08/35/1129120835.db2.gz FLFGNXKBJUCWOB-CQSZACIVSA-N 0 1 293.370 3.908 20 0 CHADMN O=c1c2c([nH]n1-c1ccnc3ccccc31)CCCCCC2 ZINC000634602814 1129120837 /nfs/dbraw/zinc/12/08/37/1129120837.db2.gz FLFGNXKBJUCWOB-CQSZACIVSA-N 0 1 293.370 3.908 20 0 CHADMN CC[C@H](N[C@H](C)c1ccc2c(c1)CCCO2)c1ccn(C)n1 ZINC000853240008 1123429205 /nfs/dbraw/zinc/42/92/05/1123429205.db2.gz FHBGMCBKKNPLOP-CJNGLKHVSA-N 0 1 299.418 3.547 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1cncs1 ZINC000853243233 1123429877 /nfs/dbraw/zinc/42/98/77/1123429877.db2.gz ZPJRLIXKRBPVSH-NWDGAFQWSA-N 0 1 288.416 3.880 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccnn1CC1CCC1)c1ccncc1 ZINC000925125226 1123433619 /nfs/dbraw/zinc/43/36/19/1123433619.db2.gz BUKYBTXERSBSMR-YOEHRIQHSA-N 0 1 298.434 3.880 20 0 CHADMN C[C@H](CCc1cccc(F)c1)[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000665350835 1123434625 /nfs/dbraw/zinc/43/46/25/1123434625.db2.gz GAMCGZPQUAIAIL-CYBMUJFWSA-N 0 1 295.398 3.580 20 0 CHADMN CCS[C@H]1CCCCN(Cc2nc(C)sc2C)C1 ZINC000443612538 1123444726 /nfs/dbraw/zinc/44/47/26/1123444726.db2.gz AQDIURNGRNFLEF-ZDUSSCGKSA-N 0 1 284.494 3.868 20 0 CHADMN COc1cccc(OCC[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000443616114 1123444914 /nfs/dbraw/zinc/44/49/14/1123444914.db2.gz QSVBGJLEQNGDRC-GOSISDBHSA-N 0 1 283.371 3.521 20 0 CHADMN Cc1cccc2c1[C@@H](C)C[C@@H]2NCc1ccc(F)cn1 ZINC000335849665 1123447055 /nfs/dbraw/zinc/44/70/55/1123447055.db2.gz GAEBLZXEFRIICT-LRDDRELGSA-N 0 1 270.351 3.867 20 0 CHADMN C[C@H]1CCN(CC(=O)Nc2ccccc2Cl)C[C@@H](C)C1 ZINC000443656223 1123463444 /nfs/dbraw/zinc/46/34/44/1123463444.db2.gz RIMPCKOUUJEIBD-STQMWFEESA-N 0 1 294.826 3.647 20 0 CHADMN C[C@@H]1CCN(Cc2nc(-c3cccs3)no2)C[C@@H](C)C1 ZINC000443654613 1123463711 /nfs/dbraw/zinc/46/37/11/1123463711.db2.gz IZELQQFCXDHNDV-NEPJUHHUSA-N 0 1 291.420 3.666 20 0 CHADMN CC(C)(C)OC1CC(N2CC(C)(C)[C@@H]2c2ccncc2)C1 ZINC000854040129 1123466519 /nfs/dbraw/zinc/46/65/19/1123466519.db2.gz PPRHYCKITBUGSB-GPANFISMSA-N 0 1 288.435 3.811 20 0 CHADMN CC(C)(C)OC1CC(N2CC(C)(C)[C@@H]2c2cccnc2)C1 ZINC000854041721 1123467394 /nfs/dbraw/zinc/46/73/94/1123467394.db2.gz PQRDNZDRCFGLMT-GPANFISMSA-N 0 1 288.435 3.811 20 0 CHADMN O=C(CCCC1CCCC1)Nc1cccc(-c2cn[nH]n2)c1 ZINC000443672958 1123467828 /nfs/dbraw/zinc/46/78/28/1123467828.db2.gz GIIKKPLUSXGOEK-UHFFFAOYSA-N 0 1 298.390 3.771 20 0 CHADMN CCn1cc(CNCc2cc3cc(C)ccc3o2)c(C)n1 ZINC000895374228 1123470287 /nfs/dbraw/zinc/47/02/87/1123470287.db2.gz SAOFRLFOLXWIIB-UHFFFAOYSA-N 0 1 283.375 3.556 20 0 CHADMN COc1cc(C)cc(C[N@H+]2CCCC(F)(F)CC2)c1OC ZINC000895392148 1123475063 /nfs/dbraw/zinc/47/50/63/1123475063.db2.gz MHZZKBDUYYPWKF-UHFFFAOYSA-N 0 1 299.361 3.633 20 0 CHADMN CC(C)Cc1ccc(CN[C@@H]2CCc3ccc(O)cc32)cn1 ZINC000895396841 1123475483 /nfs/dbraw/zinc/47/54/83/1123475483.db2.gz KSYLSHVUDHJYNS-LJQANCHMSA-N 0 1 296.414 3.763 20 0 CHADMN CCOC[C@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000113939774 1123476744 /nfs/dbraw/zinc/47/67/44/1123476744.db2.gz WLMVNISFRCKICQ-LBPRGKRZSA-N 0 1 285.790 3.728 20 0 CHADMN CCOC[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000113939774 1123476742 /nfs/dbraw/zinc/47/67/42/1123476742.db2.gz WLMVNISFRCKICQ-LBPRGKRZSA-N 0 1 285.790 3.728 20 0 CHADMN CCN(CC)CC(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000114344193 1123484019 /nfs/dbraw/zinc/48/40/19/1123484019.db2.gz AQUWLGUSYUSUIB-UHFFFAOYSA-N 0 1 297.402 3.711 20 0 CHADMN CCCCc1noc(CN(CC(C)C)CC(C)(C)C)n1 ZINC000474224548 1123491299 /nfs/dbraw/zinc/49/12/99/1123491299.db2.gz AGQLCYAAKWOCHB-UHFFFAOYSA-N 0 1 281.444 3.916 20 0 CHADMN FC[C@H]1CCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000895574185 1123492654 /nfs/dbraw/zinc/49/26/54/1123492654.db2.gz UZQQPZBZZCGSJK-MRVPVSSYSA-N 0 1 267.291 3.558 20 0 CHADMN CCCCCC[C@H](C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000854809761 1123494736 /nfs/dbraw/zinc/49/47/36/1123494736.db2.gz HFHCIACQFSQVSB-ZDUSSCGKSA-N 0 1 287.407 3.786 20 0 CHADMN CC(C)CCCCCC(=O)NCc1ccc2nc[nH]c2c1 ZINC000854810121 1123494768 /nfs/dbraw/zinc/49/47/68/1123494768.db2.gz MJLFLMGOQFYAHF-UHFFFAOYSA-N 0 1 287.407 3.786 20 0 CHADMN CCCCC[C@H](C)CC(=O)NCc1ccc2nc[nH]c2c1 ZINC000854810174 1123495122 /nfs/dbraw/zinc/49/51/22/1123495122.db2.gz NXEOAFUOOFJIMF-ZDUSSCGKSA-N 0 1 287.407 3.786 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCCCCCC3)n[nH]2)cc1 ZINC000009902807 1123502960 /nfs/dbraw/zinc/50/29/60/1123502960.db2.gz JUVDHMPZWUQGQB-UHFFFAOYSA-N 0 1 297.402 3.791 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccns2)c2c(n1)CCCC2 ZINC000895664272 1123503398 /nfs/dbraw/zinc/50/33/98/1123503398.db2.gz WUOJSAZUKHAMMC-LBPRGKRZSA-N 0 1 287.432 3.576 20 0 CHADMN COc1ccc(OC)c(CN[C@@H](C)c2cccc(C)c2)c1 ZINC000157262321 1129125898 /nfs/dbraw/zinc/12/58/98/1129125898.db2.gz IJENKFARTJPCBT-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN C[C@@H]1CCCC[C@@H]1N(C)Cc1noc(-c2ccccc2)n1 ZINC000114713660 1123506571 /nfs/dbraw/zinc/50/65/71/1123506571.db2.gz YXFCEUZBORNODZ-HIFRSBDPSA-N 0 1 285.391 3.747 20 0 CHADMN CC(C)[C@H](CNCc1nc(C(F)F)no1)c1ccccc1 ZINC000895724167 1123508146 /nfs/dbraw/zinc/50/81/46/1123508146.db2.gz GCQWHVQUMKZDEJ-LBPRGKRZSA-N 0 1 295.333 3.537 20 0 CHADMN C[C@@H](Cc1ccccc1C(F)(F)F)N[C@@H](C)c1ncco1 ZINC000895767499 1123512317 /nfs/dbraw/zinc/51/23/17/1123512317.db2.gz ZJHPLJCVQWCTKS-QWRGUYRKSA-N 0 1 298.308 3.975 20 0 CHADMN Cc1oc(C(C)(C)C)cc1CNCc1ccnc(F)c1 ZINC000895769975 1123512826 /nfs/dbraw/zinc/51/28/26/1123512826.db2.gz XKESXUYELZSLDZ-UHFFFAOYSA-N 0 1 276.355 3.709 20 0 CHADMN CC(C)[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000474399929 1123520447 /nfs/dbraw/zinc/52/04/47/1123520447.db2.gz OLHULEKWCGAYRX-HNNXBMFYSA-N 0 1 297.402 3.585 20 0 CHADMN Fc1cc(CN[C@H]2CCCn3nccc32)ccc1C(F)F ZINC000895881881 1123524962 /nfs/dbraw/zinc/52/49/62/1123524962.db2.gz QJBYPONFVJWVBJ-ZDUSSCGKSA-N 0 1 295.308 3.585 20 0 CHADMN Cc1cc(F)ncc1CN[C@@H](C)c1cc2cnccc2o1 ZINC000895868546 1123525229 /nfs/dbraw/zinc/52/52/29/1123525229.db2.gz DCNGPDWSIDYPCE-NSHDSACASA-N 0 1 285.322 3.521 20 0 CHADMN Fc1ccc2occ(CN3CC[C@H](C(F)(F)F)C3)c2c1 ZINC001141854664 1123530173 /nfs/dbraw/zinc/53/01/73/1123530173.db2.gz LBKAPHWSASMKJA-JTQLQIEISA-N 0 1 287.256 3.956 20 0 CHADMN Cc1c[nH]nc1CN[C@H]1CCc2cccc3cccc1c32 ZINC000895936721 1123533497 /nfs/dbraw/zinc/53/34/97/1123533497.db2.gz VKMQAOKANLDFGI-INIZCTEOSA-N 0 1 277.371 3.648 20 0 CHADMN C[C@@H](N[C@H](C)c1coc2ccccc12)c1cnn(C)c1 ZINC000925130371 1123550266 /nfs/dbraw/zinc/55/02/66/1123550266.db2.gz NQVBNHXGVLJREH-VXGBXAGGSA-N 0 1 269.348 3.578 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@@H+](CC[C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000519555816 1123555477 /nfs/dbraw/zinc/55/54/77/1123555477.db2.gz ZDUSGVDKUCEGHV-HLLBOEOZSA-N 0 1 289.419 3.755 20 0 CHADMN CC(C)(C)CCN1CCO[C@@H](c2cccs2)C1 ZINC000157538336 1129129896 /nfs/dbraw/zinc/12/98/96/1129129896.db2.gz FGMOVKHMHFVADL-GFCCVEGCSA-N 0 1 253.411 3.558 20 0 CHADMN CCCOc1ccc(CNCc2cc(C)oc2C)cc1 ZINC000114504814 1123564926 /nfs/dbraw/zinc/56/49/26/1123564926.db2.gz HMRAKBHWDGLJMR-UHFFFAOYSA-N 0 1 273.376 3.975 20 0 CHADMN CC(C)C[C@H](NCc1cn(C)nc1Cl)c1ccccc1 ZINC000856764738 1123567083 /nfs/dbraw/zinc/56/70/83/1123567083.db2.gz LZRIRQGZCPGGLP-HNNXBMFYSA-N 0 1 291.826 3.951 20 0 CHADMN FC(F)(F)c1nc(CNCC[C@@H]2C[C@H]2C2CC2)cs1 ZINC000896261914 1123567899 /nfs/dbraw/zinc/56/78/99/1123567899.db2.gz ABXDQPIUVYPSRD-KOLCDFICSA-N 0 1 290.354 3.688 20 0 CHADMN c1ccc(C2(CCNCc3nnc(C4CC4)s3)CC2)cc1 ZINC000896278805 1123568897 /nfs/dbraw/zinc/56/88/97/1123568897.db2.gz XSJXWTAVKIDXPD-UHFFFAOYSA-N 0 1 299.443 3.627 20 0 CHADMN CCn1cc(CN(C)Cc2cccc3ccccc32)cn1 ZINC000014187368 1123585827 /nfs/dbraw/zinc/58/58/27/1123585827.db2.gz WEXGSVPEEGRAPP-UHFFFAOYSA-N 0 1 279.387 3.688 20 0 CHADMN CC[C@]1(C)COCCN1C[C@@H](OC(C)C)c1ccccc1 ZINC000428301629 1123586040 /nfs/dbraw/zinc/58/60/40/1123586040.db2.gz KSAWZHQPCVBZEO-QZTJIDSGSA-N 0 1 291.435 3.654 20 0 CHADMN Fc1ccc2oc(CN[C@@H]3C[C@H]3C(F)(F)F)cc2c1 ZINC000631261489 1123586176 /nfs/dbraw/zinc/58/61/76/1123586176.db2.gz XVXBMFYRNUGTIV-GHMZBOCLSA-N 0 1 273.229 3.612 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2ncc(-c3cccs3)o2)C1 ZINC000041646282 1123594333 /nfs/dbraw/zinc/59/43/33/1123594333.db2.gz DNDYXDSBGPSQAX-RYUDHWBXSA-N 0 1 276.405 3.881 20 0 CHADMN COc1ccccc1C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443781822 1123600401 /nfs/dbraw/zinc/60/04/01/1123600401.db2.gz OJMDPMJVDFLZFA-UHFFFAOYSA-N 0 1 289.419 3.619 20 0 CHADMN COc1ccccc1CN1CC2(CCCC2)OC(C)(C)C1 ZINC000443781822 1123600410 /nfs/dbraw/zinc/60/04/10/1123600410.db2.gz OJMDPMJVDFLZFA-UHFFFAOYSA-N 0 1 289.419 3.619 20 0 CHADMN c1ccc([C@@H](NCc2cccc3c2NCCC3)C2CC2)nc1 ZINC000896610071 1123605461 /nfs/dbraw/zinc/60/54/61/1123605461.db2.gz SYRCVIZFNMEUJN-IBGZPJMESA-N 0 1 293.414 3.681 20 0 CHADMN C[C@@H]1c2cccc(Br)c2CCN1CCCF ZINC000509502212 1123606433 /nfs/dbraw/zinc/60/64/33/1123606433.db2.gz HQXIJEWMTKZJPP-SNVBAGLBSA-N 0 1 286.188 3.728 20 0 CHADMN COc1ccc(Cl)cc1C[C@@H]1CCCN(CCF)C1 ZINC000759342326 1123610434 /nfs/dbraw/zinc/61/04/34/1123610434.db2.gz HTDVZSLMLOOGBT-LBPRGKRZSA-N 0 1 285.790 3.573 20 0 CHADMN Cc1nnc([C@@H](C)NCCCCc2ccccc2)s1 ZINC000274866500 1129133427 /nfs/dbraw/zinc/13/34/27/1129133427.db2.gz VUNKLRQYAYNJNE-GFCCVEGCSA-N 0 1 275.421 3.520 20 0 CHADMN c1n[nH]c2c1CCC[C@@H]2Nc1ccc(C2CC2)cc1 ZINC000857862991 1123623017 /nfs/dbraw/zinc/62/30/17/1123623017.db2.gz OJVJDSWRSJUIEN-HNNXBMFYSA-N 0 1 253.349 3.777 20 0 CHADMN CO[C@@H](C)c1cccc(N[C@H]2CCCc3cn[nH]c32)c1 ZINC000857862544 1123623583 /nfs/dbraw/zinc/62/35/83/1123623583.db2.gz GBRQLSRQDBLRFY-NHYWBVRUSA-N 0 1 271.364 3.607 20 0 CHADMN c1cc2cccc(CN[C@H]3CCCc4c[nH]nc43)c2s1 ZINC000857872626 1123624663 /nfs/dbraw/zinc/62/46/63/1123624663.db2.gz OJICJQBJGPAKCD-AWEZNQCLSA-N 0 1 283.400 3.792 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1cnn(C)c1C1CC1 ZINC000896797431 1123627695 /nfs/dbraw/zinc/62/76/95/1123627695.db2.gz IWPQBVNQQNQVOG-GFCCVEGCSA-N 0 1 287.382 3.596 20 0 CHADMN Cc1cccn2c(CN(C)[C@@H](C)c3cccs3)cnc12 ZINC000157836380 1129134501 /nfs/dbraw/zinc/13/45/01/1129134501.db2.gz DSGAAKADXQVXQP-ZDUSSCGKSA-N 0 1 285.416 3.897 20 0 CHADMN Cc1ccoc1CN1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017471 1123628389 /nfs/dbraw/zinc/62/83/89/1123628389.db2.gz ZCBNFWHDLUEIAA-INIZCTEOSA-N 0 1 298.386 3.514 20 0 CHADMN c1cc(CN2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)co1 ZINC000858011664 1123628973 /nfs/dbraw/zinc/62/89/73/1123628973.db2.gz XLAHKKMUBKOGHA-QGZVFWFLSA-N 0 1 298.386 3.595 20 0 CHADMN CCc1ccc(CN2CCCC[C@@H]2c2cccn2C)nc1 ZINC000339010598 1123629832 /nfs/dbraw/zinc/62/98/32/1123629832.db2.gz PONXHGHUKVWLTD-GOSISDBHSA-N 0 1 283.419 3.710 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccnc(F)c1)CCS2 ZINC000858089490 1123629919 /nfs/dbraw/zinc/62/99/19/1123629919.db2.gz UURXRQYVZSXACE-ZDUSSCGKSA-N 0 1 292.354 3.687 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccnc(F)c1)CCS2 ZINC000858089489 1123630430 /nfs/dbraw/zinc/63/04/30/1123630430.db2.gz UURXRQYVZSXACE-CYBMUJFWSA-N 0 1 292.354 3.687 20 0 CHADMN CCC(F)(F)CNC1CCC2(COC(C)(C)C2)CC1 ZINC001203144416 1123637765 /nfs/dbraw/zinc/63/77/65/1123637765.db2.gz MSQXMIMAPOXWEH-UHFFFAOYSA-N 0 1 275.383 3.749 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)s2)CC[C@H]1C(=O)[O-] ZINC000312503307 1123638517 /nfs/dbraw/zinc/63/85/17/1123638517.db2.gz KUAJIFJCMNBUAL-WCQYABFASA-N 0 1 295.448 3.588 20 0 CHADMN Cc1cccc([C@@H](NCc2ccc(C)nn2)C(C)C)c1 ZINC000858286490 1123641664 /nfs/dbraw/zinc/64/16/64/1123641664.db2.gz DBGNAANCKIUCMU-KRWDZBQOSA-N 0 1 269.392 3.580 20 0 CHADMN C[C@H](COc1ccccc1)N[C@@H]1CCCc2scnc21 ZINC000858358085 1123648116 /nfs/dbraw/zinc/64/81/16/1123648116.db2.gz MEWODJXQLSTNAX-TZMCWYRMSA-N 0 1 288.416 3.578 20 0 CHADMN Cc1csc([C@H](C)N[C@@H](C)C[C@H](O)c2cccs2)n1 ZINC000858371246 1123648672 /nfs/dbraw/zinc/64/86/72/1123648672.db2.gz AABNBWSMHQJREP-DLOVCJGASA-N 0 1 296.461 3.676 20 0 CHADMN Cc1cccc(C)c1CN[C@@H]1CCCc2scnc21 ZINC000858380959 1123648955 /nfs/dbraw/zinc/64/89/55/1123648955.db2.gz LLJCCTJWQVZHSZ-CQSZACIVSA-N 0 1 272.417 3.927 20 0 CHADMN Cc1noc([C@@H](C)NC2CCC3(CCCC3)CC2)n1 ZINC000329738106 1123651887 /nfs/dbraw/zinc/65/18/87/1123651887.db2.gz UBSWUAHUCQXJTE-LLVKDONJSA-N 0 1 263.385 3.532 20 0 CHADMN CCc1cnc(CN2CC3(CC=CC3)[C@@H]2C(C)C)s1 ZINC000648072562 1123652688 /nfs/dbraw/zinc/65/26/88/1123652688.db2.gz JACZLZUJQYKLKY-HNNXBMFYSA-N 0 1 276.449 3.882 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@](C)(c3ccccc3)C2)s1 ZINC000335913041 1123656900 /nfs/dbraw/zinc/65/69/00/1123656900.db2.gz CWEWFTNDHGFZMY-WBMJQRKESA-N 0 1 287.432 3.571 20 0 CHADMN C[C@H]1CN(Cc2cccc3c2OCO3)Cc2ccccc21 ZINC001141948087 1123657815 /nfs/dbraw/zinc/65/78/15/1123657815.db2.gz MMMDAXXPXAROQZ-ZDUSSCGKSA-N 0 1 281.355 3.535 20 0 CHADMN Cc1ncc(CN[C@H](C)c2ccc3ccccc3n2)s1 ZINC000346101080 1123664721 /nfs/dbraw/zinc/66/47/21/1123664721.db2.gz NSWXDBVJVWWKIP-LLVKDONJSA-N 0 1 283.400 3.851 20 0 CHADMN CCc1cnc(C[N@H+](CC)C2CCCCC2)s1 ZINC000346129168 1123665670 /nfs/dbraw/zinc/66/56/70/1123665670.db2.gz GDCXCMJXESHMHC-UHFFFAOYSA-N 0 1 252.427 3.860 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc2c(c1)COC2)c1ccns1 ZINC000858578615 1123665827 /nfs/dbraw/zinc/66/58/27/1123665827.db2.gz PTKXHDVTMYRZJI-GHMZBOCLSA-N 0 1 274.389 3.585 20 0 CHADMN Cc1cc(CN(C)Cc2ccc[nH]2)cc2cccnc12 ZINC000346202635 1123672066 /nfs/dbraw/zinc/67/20/66/1123672066.db2.gz NXUFJPBXTRONCQ-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN Cc1cccc(CN2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000346424271 1123687516 /nfs/dbraw/zinc/68/75/16/1123687516.db2.gz PPNSMVULIPFUCQ-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN C[C@@H](N[C@@H](c1cccnc1)c1ccc(F)cc1F)C1CC1 ZINC000346469410 1123687734 /nfs/dbraw/zinc/68/77/34/1123687734.db2.gz BLSOQNGWGYFYJX-DIFFPNOSSA-N 0 1 288.341 3.837 20 0 CHADMN C[C@@H](NCc1ccc(F)cn1)c1cccc(Cl)c1 ZINC000346532214 1123692353 /nfs/dbraw/zinc/69/23/53/1123692353.db2.gz MBRHXWPGXKBWCR-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN CCN(Cc1cc(Cl)n(C)n1)[C@@H](C)Cc1ccsc1 ZINC000859261423 1123692999 /nfs/dbraw/zinc/69/29/99/1123692999.db2.gz NQABZAJILAUMDC-NSHDSACASA-N 0 1 297.855 3.588 20 0 CHADMN CSCCCN(C)Cc1coc(-c2ccccc2)n1 ZINC000281311133 1123694159 /nfs/dbraw/zinc/69/41/59/1123694159.db2.gz QMDJLQUPRDAQLB-UHFFFAOYSA-N 0 1 276.405 3.527 20 0 CHADMN C[N@@H+](Cc1ccnc(F)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000859312552 1123694811 /nfs/dbraw/zinc/69/48/11/1123694811.db2.gz VHCACEPUQAKBRL-NEPJUHHUSA-N 0 1 290.304 3.774 20 0 CHADMN CN(Cc1ccnc(F)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000859312552 1123694813 /nfs/dbraw/zinc/69/48/13/1123694813.db2.gz VHCACEPUQAKBRL-NEPJUHHUSA-N 0 1 290.304 3.774 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2ccc(F)cc21)c1nccn1C ZINC000281296878 1123695143 /nfs/dbraw/zinc/69/51/43/1123695143.db2.gz YJWYGXJSHWLGOH-CVEARBPZSA-N 0 1 287.382 3.678 20 0 CHADMN CCCN(Cc1cc(C)on1)[C@H]1CCc2ccccc21 ZINC000346589921 1123695981 /nfs/dbraw/zinc/69/59/81/1123695981.db2.gz ZQZNOQBDLLHIQR-KRWDZBQOSA-N 0 1 270.376 3.883 20 0 CHADMN Cc1oncc1CN1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000859414606 1123697041 /nfs/dbraw/zinc/69/70/41/1123697041.db2.gz HWJKXCRGEFJTIO-CYBMUJFWSA-N 0 1 292.329 3.641 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ncc(C)o1 ZINC000346583332 1123697553 /nfs/dbraw/zinc/69/75/53/1123697553.db2.gz VZBBECGYCBDMJZ-RWMBFGLXSA-N 0 1 268.426 3.698 20 0 CHADMN CC(C)c1nc([C@H](C)NCCc2ccco2)cs1 ZINC000346599434 1123699333 /nfs/dbraw/zinc/69/93/33/1123699333.db2.gz GMDSSSSTPOGQBF-NSHDSACASA-N 0 1 264.394 3.753 20 0 CHADMN Clc1cc(CN[C@@H](c2ccccn2)C2CCC2)ccn1 ZINC000859563756 1123701520 /nfs/dbraw/zinc/70/15/20/1123701520.db2.gz VCXGFLZKGSOWLM-MRXNPFEDSA-N 0 1 287.794 3.761 20 0 CHADMN C[C@@H](c1cccs1)c1noc(-c2ccc3cncn3c2)n1 ZINC000346633334 1123703435 /nfs/dbraw/zinc/70/34/35/1123703435.db2.gz YTYQAUCDIZIFLF-JTQLQIEISA-N 0 1 296.355 3.598 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccccc2C(F)(F)F)n(C)n1 ZINC000284185301 1123710499 /nfs/dbraw/zinc/71/04/99/1123710499.db2.gz FYLURHHTFOYWRA-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN Cc1cccc([C@H](NCc2cc(Cl)n(C)n2)C(C)C)c1 ZINC000859854275 1123713993 /nfs/dbraw/zinc/71/39/93/1123713993.db2.gz VJKBNCKDBYWVBY-MRXNPFEDSA-N 0 1 291.826 3.869 20 0 CHADMN CC(C)n1cc([C@@H](C)NC2(c3ccc(F)cc3)CC2)cn1 ZINC000346803124 1123715224 /nfs/dbraw/zinc/71/52/24/1123715224.db2.gz WNFFCZSNTUDNQU-CYBMUJFWSA-N 0 1 287.382 3.943 20 0 CHADMN CC(C)N(CCOC1CCC1)Cc1ccccc1F ZINC000346824577 1123717692 /nfs/dbraw/zinc/71/76/92/1123717692.db2.gz CNYGHOHMAFRFCH-UHFFFAOYSA-N 0 1 265.372 3.605 20 0 CHADMN C[C@H](c1cccnc1)N1CCc2ccc(F)cc2[C@H](C)C1 ZINC000649894143 1129140639 /nfs/dbraw/zinc/14/06/39/1129140639.db2.gz CPSWHOACHPHBAM-ZIAGYGMSSA-N 0 1 284.378 3.944 20 0 CHADMN CC(C)CCc1noc(CN(C)[C@H]2CCCC[C@H]2C)n1 ZINC000444040615 1123722328 /nfs/dbraw/zinc/72/23/28/1123722328.db2.gz SFTPUNLTOGFEGU-KGLIPLIRSA-N 0 1 279.428 3.669 20 0 CHADMN CCn1c2ccc(-c3sccc3C)cc2nc1CN ZINC000629715132 1123722480 /nfs/dbraw/zinc/72/24/80/1123722480.db2.gz WNIQRCKURKJPPJ-UHFFFAOYSA-N 0 1 271.389 3.552 20 0 CHADMN CC(C)CCc1noc(CN(C)[C@@H]2CCCC[C@@H]2C)n1 ZINC000444040616 1123722798 /nfs/dbraw/zinc/72/27/98/1123722798.db2.gz SFTPUNLTOGFEGU-UONOGXRCSA-N 0 1 279.428 3.669 20 0 CHADMN CCn1c(C)cc(C(=O)CN([C@@H](C)C2CC2)C2CC2)c1C ZINC000444055098 1123724121 /nfs/dbraw/zinc/72/41/21/1123724121.db2.gz ZRJWXGJTAZFMJD-ZDUSSCGKSA-N 0 1 288.435 3.570 20 0 CHADMN CCCCCC[C@@H](C)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000201618770 1123736015 /nfs/dbraw/zinc/73/60/15/1123736015.db2.gz ZWAZUGIWQWOKHU-LLVKDONJSA-N 0 1 274.368 3.503 20 0 CHADMN c1cncc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)CCC3)c1 ZINC000346969936 1123737888 /nfs/dbraw/zinc/73/78/88/1123737888.db2.gz LWKHAHXAJPQHKM-IBGZPJMESA-N 0 1 278.399 3.907 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)N1CCC(C)(C)CC1 ZINC000336319918 1123760117 /nfs/dbraw/zinc/76/01/17/1123760117.db2.gz GEAHSMAKRLDEML-LLVKDONJSA-N 0 1 291.420 3.981 20 0 CHADMN Cc1ccc(CN2CCC[C@H](C(F)(F)F)[C@@H]2C)nc1 ZINC000336327295 1123761275 /nfs/dbraw/zinc/76/12/75/1123761275.db2.gz UXDJAHADMRUCDI-AAEUAGOBSA-N 0 1 272.314 3.553 20 0 CHADMN C[C@H]1C[C@H](C)[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000336363649 1123765839 /nfs/dbraw/zinc/76/58/39/1123765839.db2.gz ZATQLRBCXZYHFA-QWRGUYRKSA-N 0 1 291.782 3.620 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000336363649 1123765845 /nfs/dbraw/zinc/76/58/45/1123765845.db2.gz ZATQLRBCXZYHFA-QWRGUYRKSA-N 0 1 291.782 3.620 20 0 CHADMN C[C@H](Nc1cc2c(cn1)CCCC2)c1ccncc1 ZINC000336400632 1123769074 /nfs/dbraw/zinc/76/90/74/1123769074.db2.gz SMUWHNGEJYUPAH-LBPRGKRZSA-N 0 1 253.349 3.529 20 0 CHADMN O=C(c1cnc(C2CC2)[nH]1)N1CCCCC[C@H]1c1ccco1 ZINC000336536537 1123773880 /nfs/dbraw/zinc/77/38/80/1123773880.db2.gz PJWJQBIRRUQKOP-AWEZNQCLSA-N 0 1 299.374 3.638 20 0 CHADMN [O-]c1cccc(C[NH2+][C@@H](C2CC2)C2CCC2)c1Cl ZINC000324636441 1123779716 /nfs/dbraw/zinc/77/97/16/1123779716.db2.gz BRLYHUOKXDKSGL-OAHLLOKOSA-N 0 1 265.784 3.714 20 0 CHADMN CCC[C@@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000042336639 1123781820 /nfs/dbraw/zinc/78/18/20/1123781820.db2.gz MEJDKKKTJRAIQZ-FRRDWIJNSA-N 0 1 296.842 3.684 20 0 CHADMN C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(O)c(Cl)c1 ZINC000042462635 1123786896 /nfs/dbraw/zinc/78/68/96/1123786896.db2.gz RBPQDLMRNCNHBA-CMPLNLGQSA-N 0 1 281.783 3.602 20 0 CHADMN CC[C@H](NCc1ccn(C)c1)c1cc(F)ccc1F ZINC000158488366 1129145387 /nfs/dbraw/zinc/14/53/87/1129145387.db2.gz LJLCWFNSQSQFLH-HNNXBMFYSA-N 0 1 264.319 3.544 20 0 CHADMN c1coc(CN2CCC(c3nc4c(s3)CCC4)CC2)c1 ZINC000896946546 1123791241 /nfs/dbraw/zinc/79/12/41/1123791241.db2.gz WNVHTFYPFGHMJY-UHFFFAOYSA-N 0 1 288.416 3.604 20 0 CHADMN c1cc(CN2CCC(c3nc4c(s3)CCC4)CC2)co1 ZINC000896945350 1123791579 /nfs/dbraw/zinc/79/15/79/1123791579.db2.gz DADAFQFNUGUXJU-UHFFFAOYSA-N 0 1 288.416 3.604 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccncn1)c1ccc(C(F)(F)F)cc1 ZINC000395912636 1123794731 /nfs/dbraw/zinc/79/47/31/1123794731.db2.gz PRPFAOBLNKTWAH-MNOVXSKESA-N 0 1 295.308 3.907 20 0 CHADMN Cc1c(F)nccc1CNCc1cccc(OC(C)C)c1 ZINC000862273727 1123796983 /nfs/dbraw/zinc/79/69/83/1123796983.db2.gz QJENAMAZXJYWLD-UHFFFAOYSA-N 0 1 288.366 3.606 20 0 CHADMN CSc1ccc(CNCc2ccnc(F)c2C)cc1 ZINC000862275091 1123797012 /nfs/dbraw/zinc/79/70/12/1123797012.db2.gz KHPKNIQUKPUZNU-UHFFFAOYSA-N 0 1 276.380 3.541 20 0 CHADMN CCOc1ccccc1[C@H](CC)NCc1ccccn1 ZINC000101599426 1123800535 /nfs/dbraw/zinc/80/05/35/1123800535.db2.gz FSAFRHXMDXNJRZ-INIZCTEOSA-N 0 1 270.376 3.721 20 0 CHADMN COc1ccc(C)c(C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC001237709303 1129146116 /nfs/dbraw/zinc/14/61/16/1129146116.db2.gz GDNMXQGNCJBALD-UHFFFAOYSA-N 0 1 289.419 3.539 20 0 CHADMN COc1ccc(C)c(CN2CCOC3(CCCCC3)C2)c1 ZINC001237709303 1129146121 /nfs/dbraw/zinc/14/61/21/1129146121.db2.gz GDNMXQGNCJBALD-UHFFFAOYSA-N 0 1 289.419 3.539 20 0 CHADMN CC1=C(c2ccco2)CN(Cc2cnc(C3CC3)o2)CC1 ZINC000862355981 1123802412 /nfs/dbraw/zinc/80/24/12/1123802412.db2.gz QXIZSOFMTGEQCM-UHFFFAOYSA-N 0 1 284.359 3.824 20 0 CHADMN CC[C@H](NCc1ccnc(F)c1C)c1ccccc1F ZINC000862401851 1123807306 /nfs/dbraw/zinc/80/73/06/1123807306.db2.gz UXJGJIFOGPCCEP-HNNXBMFYSA-N 0 1 276.330 3.909 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CN[C@H]1CCCc2cccnc21 ZINC000897072208 1123809924 /nfs/dbraw/zinc/80/99/24/1123809924.db2.gz WXDNVPOBNHZHCQ-KRWDZBQOSA-N 0 1 298.434 3.643 20 0 CHADMN CC[C@H](NCc1ccc2c(c1)OCO2)c1ccccc1OC ZINC000192758135 1123815055 /nfs/dbraw/zinc/81/50/55/1123815055.db2.gz IXWJOQHSYOZGPD-HNNXBMFYSA-N 0 1 299.370 3.665 20 0 CHADMN c1[nH]nc2cc(NCc3ccc4cnccc4c3)ccc12 ZINC000232466361 1123815085 /nfs/dbraw/zinc/81/50/85/1123815085.db2.gz MCLWYLSOWIIXSK-UHFFFAOYSA-N 0 1 274.327 3.723 20 0 CHADMN Cc1ccc(-c2nc(CN[C@@H]3CCCSC3)co2)cc1 ZINC000119069427 1123826517 /nfs/dbraw/zinc/82/65/17/1123826517.db2.gz OIYMZHMFCIJRDI-CQSZACIVSA-N 0 1 288.416 3.635 20 0 CHADMN CSc1ccccc1CN(C)Cc1ccc2c(c1)CCO2 ZINC000475292378 1123832587 /nfs/dbraw/zinc/83/25/87/1123832587.db2.gz FHAHROCBBIDBOE-UHFFFAOYSA-N 0 1 299.439 3.975 20 0 CHADMN C/C(=C\c1ccccc1)CN1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000475287162 1123834486 /nfs/dbraw/zinc/83/44/86/1123834486.db2.gz UCXAEYOWWZXVFE-WLIXIEMPSA-N 0 1 271.404 3.589 20 0 CHADMN C[C@H](CN[C@@H](C)c1nc2c(s1)CCCC2)C(F)(F)F ZINC000475321298 1123837685 /nfs/dbraw/zinc/83/76/85/1123837685.db2.gz YDMQZOGCWVPSQI-BDAKNGLRSA-N 0 1 292.370 3.871 20 0 CHADMN C[C@H]1CC[C@@H](CN2CC=C(c3ccccc3Cl)CC2)O1 ZINC000475310755 1123838658 /nfs/dbraw/zinc/83/86/58/1123838658.db2.gz DUNQMOGPRWRBIZ-ZFWWWQNUSA-N 0 1 291.822 3.997 20 0 CHADMN CC(C)Cc1ccc(CNCc2cccc3c2OCC3)cn1 ZINC000897204441 1123843392 /nfs/dbraw/zinc/84/33/92/1123843392.db2.gz PPHJPOCGLVDWEL-UHFFFAOYSA-N 0 1 296.414 3.505 20 0 CHADMN CCCOCSc1nc2ccc(Cl)cc2[nH]1 ZINC000863213244 1123853042 /nfs/dbraw/zinc/85/30/42/1123853042.db2.gz FFFOJKJPBLBDRI-UHFFFAOYSA-N 0 1 256.758 3.693 20 0 CHADMN Cc1[nH]ncc1C(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21 ZINC000863258957 1123856642 /nfs/dbraw/zinc/85/66/42/1123856642.db2.gz QSEUODSEQMKKKJ-CQSZACIVSA-N 0 1 297.402 3.583 20 0 CHADMN Fc1ccccc1[C@H]1CCN(Cc2cncc(Cl)c2)C1 ZINC000621256476 1129153081 /nfs/dbraw/zinc/15/30/81/1129153081.db2.gz HTECTCDVBLWHBX-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1cncc(CN2CCCC[C@@H]2c2ccccc2)n1 ZINC001203162163 1123863368 /nfs/dbraw/zinc/86/33/68/1123863368.db2.gz SKIQEKVWNWCTSD-QGZVFWFLSA-N 0 1 267.376 3.512 20 0 CHADMN O=C(NCCCC1CCCCC1)c1n[nH]c2ccccc21 ZINC000058775736 1123865384 /nfs/dbraw/zinc/86/53/84/1123865384.db2.gz HHMIHIMXSKYATO-UHFFFAOYSA-N 0 1 285.391 3.653 20 0 CHADMN Cc1cc(Sc2nc3ccc(Cl)cc3[nH]2)nc(C)n1 ZINC000301079034 1123873113 /nfs/dbraw/zinc/87/31/13/1123873113.db2.gz MPIMBFPLYYWLPM-UHFFFAOYSA-N 0 1 290.779 3.774 20 0 CHADMN CCN[C@H](C)c1nc(-c2ccc3[nH]c(C)c(C)c3c2)no1 ZINC000863662828 1123886343 /nfs/dbraw/zinc/88/63/43/1123886343.db2.gz XHCMMOXZWLBXMK-LLVKDONJSA-N 0 1 284.363 3.505 20 0 CHADMN CCN[C@@H](C)c1nc(-c2cccc(SCC)c2)no1 ZINC000863674445 1123887349 /nfs/dbraw/zinc/88/73/49/1123887349.db2.gz CKKOHSWTAMFYHR-JTQLQIEISA-N 0 1 277.393 3.519 20 0 CHADMN CCOc1ncccc1CNc1ccnc2cc(F)ccc21 ZINC000301285867 1123888874 /nfs/dbraw/zinc/88/88/74/1123888874.db2.gz RMOXQEVDIYMHHY-UHFFFAOYSA-N 0 1 297.333 3.780 20 0 CHADMN NC1(c2noc(-c3cc(C(F)F)ccc3F)n2)CCCC1 ZINC000621246152 1129152690 /nfs/dbraw/zinc/15/26/90/1129152690.db2.gz NWJQULICTIIGPC-UHFFFAOYSA-N 0 1 297.280 3.541 20 0 CHADMN CCOc1cccc([C@H](C)NCc2cnc(C)s2)c1 ZINC000119789736 1123909189 /nfs/dbraw/zinc/90/91/89/1123909189.db2.gz CJJWRSPGLQZNKE-NSHDSACASA-N 0 1 276.405 3.701 20 0 CHADMN CC[C@H](C)[C@@H](O)CNc1cc(C)nc2ccc(F)cc21 ZINC000301655412 1123921207 /nfs/dbraw/zinc/92/12/07/1123921207.db2.gz HOJLZLSMKQHQQG-QFYYESIMSA-N 0 1 276.355 3.501 20 0 CHADMN Cc1ccnc(NCC(C)(C)c2ccc3c(c2)OCCO3)c1 ZINC000301657169 1123921689 /nfs/dbraw/zinc/92/16/89/1123921689.db2.gz SGUBRNMULQIDQC-UHFFFAOYSA-N 0 1 298.386 3.551 20 0 CHADMN Cc1cc(N(C)C[C@@H]2CCCCO2)c2cc(F)ccc2n1 ZINC000301690941 1123924658 /nfs/dbraw/zinc/92/46/58/1123924658.db2.gz WONUPDAHGCHTMH-AWEZNQCLSA-N 0 1 288.366 3.688 20 0 CHADMN Cc1ccc([C@H]2CCN(Cn3cccnc3=S)C2)c(C)c1 ZINC000794657070 1123926013 /nfs/dbraw/zinc/92/60/13/1123926013.db2.gz SDFSOXAIDFKPLM-HNNXBMFYSA-N 0 1 299.443 3.676 20 0 CHADMN Cc1cc(N[C@H](C)C2CCOCC2)c2cc(F)ccc2n1 ZINC000301711232 1123926280 /nfs/dbraw/zinc/92/62/80/1123926280.db2.gz KJNYWJRDHLAMPT-GFCCVEGCSA-N 0 1 288.366 3.909 20 0 CHADMN CC(C)(C)C[C@H](CO)Nc1ccnc2cc(F)ccc21 ZINC000301777982 1123932475 /nfs/dbraw/zinc/93/24/75/1123932475.db2.gz LZXBVOMPITVCLL-GFCCVEGCSA-N 0 1 276.355 3.583 20 0 CHADMN CCN(Cc1ccc(SC)s1)Cc1cccnc1 ZINC001142027966 1123948857 /nfs/dbraw/zinc/94/88/57/1123948857.db2.gz XMGQSPACKLWDLT-UHFFFAOYSA-N 0 1 278.446 3.887 20 0 CHADMN Fc1cccc(Cl)c1CCN1CC[C@]2(CC2(F)F)C1 ZINC000649905179 1129156206 /nfs/dbraw/zinc/15/62/06/1129156206.db2.gz VDLQEZVREPVNBW-ZDUSSCGKSA-N 0 1 289.728 3.753 20 0 CHADMN C[C@@H](NCc1cccnc1F)c1ccc2c(c1)CCC2 ZINC000794832782 1123967638 /nfs/dbraw/zinc/96/76/38/1123967638.db2.gz DHTSVLXNAYAXAR-GFCCVEGCSA-N 0 1 270.351 3.560 20 0 CHADMN Cc1cc(N[C@@H]2CCC[C@@H]2CCO)c2cc(F)ccc2n1 ZINC000302476195 1123969490 /nfs/dbraw/zinc/96/94/90/1123969490.db2.gz VHTNLDKFLYJRMY-IUODEOHRSA-N 0 1 288.366 3.645 20 0 CHADMN C[C@@H](NCc1cccnc1F)c1cc2c(s1)CCC2 ZINC000794834526 1123969943 /nfs/dbraw/zinc/96/99/43/1123969943.db2.gz JIRNRYKTJDIGRJ-SNVBAGLBSA-N 0 1 276.380 3.622 20 0 CHADMN CC1(C)CC[C@H](CNc2ccnc3cc(F)ccc32)O1 ZINC000302483973 1123970049 /nfs/dbraw/zinc/97/00/49/1123970049.db2.gz YDPXSZWHTHJYDE-GFCCVEGCSA-N 0 1 274.339 3.743 20 0 CHADMN CC[C@]1(C)CN(c2cc(C)nc3ccc(F)cc32)CCO1 ZINC000302519137 1123971079 /nfs/dbraw/zinc/97/10/79/1123971079.db2.gz APHXZTHAGRRHPH-QGZVFWFLSA-N 0 1 288.366 3.688 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccnc2F)c(C)c1 ZINC000794835627 1123971289 /nfs/dbraw/zinc/97/12/89/1123971289.db2.gz RCWMZJLQZACQDZ-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN Oc1ccc(CNCc2cc3ccccc3o2)cc1F ZINC000120481804 1123971751 /nfs/dbraw/zinc/97/17/51/1123971751.db2.gz HTAHKABYMBXGCD-UHFFFAOYSA-N 0 1 271.291 3.567 20 0 CHADMN CC[C@H](NCc1cccnc1F)c1ccc(C)cc1 ZINC000794836176 1123972205 /nfs/dbraw/zinc/97/22/05/1123972205.db2.gz NYQCJKMVSBKHFQ-HNNXBMFYSA-N 0 1 258.340 3.770 20 0 CHADMN Cc1cc(N(C)[C@H](C)c2cnn(C)c2)c2cc(F)ccc2n1 ZINC000302645772 1123975565 /nfs/dbraw/zinc/97/55/65/1123975565.db2.gz JBBLWOGQPRYPII-GFCCVEGCSA-N 0 1 298.365 3.613 20 0 CHADMN Cc1ccc([C@H](NCc2cn(C3CC3)cn2)C2CC2)cc1 ZINC000865410113 1123981736 /nfs/dbraw/zinc/98/17/36/1123981736.db2.gz IHOMSLMLFHYUHZ-SFHVURJKSA-N 0 1 281.403 3.767 20 0 CHADMN Cc1ccc([C@@H](NCc2cn(C3CC3)cn2)C2CC2)cc1 ZINC000865410112 1123981778 /nfs/dbraw/zinc/98/17/78/1123981778.db2.gz IHOMSLMLFHYUHZ-GOSISDBHSA-N 0 1 281.403 3.767 20 0 CHADMN CCN(c1ccc(NCc2cc(C)no2)cc1)C(C)C ZINC000865422396 1123983281 /nfs/dbraw/zinc/98/32/81/1123983281.db2.gz NJXNOOXXEDTIED-UHFFFAOYSA-N 0 1 273.380 3.830 20 0 CHADMN OCCCCCNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000302788006 1123983827 /nfs/dbraw/zinc/98/38/27/1123983827.db2.gz BPHOFMFRPQLJRU-UHFFFAOYSA-N 0 1 298.308 3.828 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2NCc1cnc(Cl)c(F)c1 ZINC000865434276 1123983979 /nfs/dbraw/zinc/98/39/79/1123983979.db2.gz CYAAPFRPGHLFPP-AWEZNQCLSA-N 0 1 294.732 3.790 20 0 CHADMN Cc1cc(CN2CC(c3nc4ccccc4s3)C2)ccn1 ZINC000621271495 1129158799 /nfs/dbraw/zinc/15/87/99/1129158799.db2.gz JULLBDQUDIUKJB-UHFFFAOYSA-N 0 1 295.411 3.599 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cc3c(cc[nH]c3=O)o1)CC2 ZINC000865454679 1123986210 /nfs/dbraw/zinc/98/62/10/1123986210.db2.gz HEWQHNYWHLCJEP-INIZCTEOSA-N 0 1 294.354 3.619 20 0 CHADMN CC[C@@H](NCc1cnc(Cl)c(F)c1)c1ccncc1 ZINC000865473195 1123987094 /nfs/dbraw/zinc/98/70/94/1123987094.db2.gz LTRCYSPKZFLSKM-CYBMUJFWSA-N 0 1 279.746 3.510 20 0 CHADMN CO[C@@H](CNCc1nc(C(C)(C)C)cs1)C(C)(C)C ZINC000865480280 1123988757 /nfs/dbraw/zinc/98/87/57/1123988757.db2.gz YRSNKRUHHDIFHV-LBPRGKRZSA-N 0 1 284.469 3.591 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1cn(C2CC2)cn1 ZINC000865485265 1123988657 /nfs/dbraw/zinc/98/86/57/1123988657.db2.gz TZDCXVYOUCXULF-KZULUSFZSA-N 0 1 299.393 3.770 20 0 CHADMN C[C@H]1CCc2c(F)cccc2[C@H]1NCc1cn(C2CC2)cn1 ZINC000865485266 1123988685 /nfs/dbraw/zinc/98/86/85/1123988685.db2.gz TZDCXVYOUCXULF-SGTLLEGYSA-N 0 1 299.393 3.770 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cn(C3CC3)cn2)cc1 ZINC000865488259 1123989775 /nfs/dbraw/zinc/98/97/75/1123989775.db2.gz XUIOHQSHTWINLE-UHFFFAOYSA-N 0 1 283.419 3.805 20 0 CHADMN CC1(C)C[C@H](CNc2cc[nH+]c3c([O-])cccc23)CCO1 ZINC000665723812 1123991472 /nfs/dbraw/zinc/99/14/72/1123991472.db2.gz HQEXWXVMKNGPQB-GFCCVEGCSA-N 0 1 286.375 3.558 20 0 CHADMN Cc1ccc2nc(Cc3ccccc3F)[nH]c2c1C ZINC000389414954 1123997132 /nfs/dbraw/zinc/99/71/32/1123997132.db2.gz MDOJLBTWSQTAQM-UHFFFAOYSA-N 0 1 254.308 3.910 20 0 CHADMN CC[C@H](C)[C@H](CNCc1c(Cl)cncc1Cl)OC ZINC000865584646 1123997300 /nfs/dbraw/zinc/99/73/00/1123997300.db2.gz ZEWHAZDYFFRFQU-ZANVPECISA-N 0 1 291.222 3.539 20 0 CHADMN Cc1nc(C)c(CN[C@H](C)c2cnn(C3CCC3)c2)s1 ZINC000925148776 1123997553 /nfs/dbraw/zinc/99/75/53/1123997553.db2.gz OXOASZFRFNFZCV-SNVBAGLBSA-N 0 1 290.436 3.532 20 0 CHADMN c1cc2cccc(CNCc3cn(C4CC4)cn3)c2s1 ZINC000865614387 1123998941 /nfs/dbraw/zinc/99/89/41/1123998941.db2.gz GJCCQRHWCIRNMX-UHFFFAOYSA-N 0 1 283.400 3.723 20 0 CHADMN C[C@@]1(CNCc2c(Cl)cncc2Cl)CC1(F)F ZINC000865627401 1124001066 /nfs/dbraw/zinc/00/10/66/1124001066.db2.gz JOPCLBPFXCWUOM-JTQLQIEISA-N 0 1 281.133 3.523 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)N3CC[C@@H](C)C3)n2)ccc1F ZINC000261386027 1124003493 /nfs/dbraw/zinc/00/34/93/1124003493.db2.gz KAJSVUPBLUCQEA-ZYHUDNBSSA-N 0 1 289.354 3.587 20 0 CHADMN Cc1cc(CN2CCCC(C)(C)C2)cc(Cl)n1 ZINC000320909851 1124004215 /nfs/dbraw/zinc/00/42/15/1124004215.db2.gz OPBAGETYPYBVMD-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cc[nH]c1C1CCC1 ZINC000487494360 1124013241 /nfs/dbraw/zinc/01/32/41/1124013241.db2.gz DPSXQPCOTANYMX-UHFFFAOYSA-N 0 1 298.321 3.550 20 0 CHADMN Cc1nc2cc(NC[C@@]3(C)CCCS3)ccc2n1C ZINC000653467094 1124017888 /nfs/dbraw/zinc/01/78/88/1124017888.db2.gz BWBSUHSKDMSXJA-OAHLLOKOSA-N 0 1 275.421 3.579 20 0 CHADMN COc1ccsc1CN[C@H](C)c1ccccc1OC ZINC000865821014 1124018123 /nfs/dbraw/zinc/01/81/23/1124018123.db2.gz JHYXBJSVBOXWHX-LLVKDONJSA-N 0 1 277.389 3.616 20 0 CHADMN CSC[C@@H]1CCCN(c2ccncc2C(F)(F)F)C1 ZINC000865828045 1124018182 /nfs/dbraw/zinc/01/81/82/1124018182.db2.gz HXFKSAYLDXESFH-SNVBAGLBSA-N 0 1 290.354 3.680 20 0 CHADMN Cc1[nH]ncc1CNc1cccc(F)c1C(C)(F)F ZINC000865828355 1124018973 /nfs/dbraw/zinc/01/89/73/1124018973.db2.gz POVVENNUODBEIO-UHFFFAOYSA-N 0 1 269.270 3.581 20 0 CHADMN COc1ccsc1CN[C@H](C)c1cc2cnccc2o1 ZINC000865854005 1124021740 /nfs/dbraw/zinc/02/17/40/1124021740.db2.gz LLHSKLKRVHNFBZ-SNVBAGLBSA-N 0 1 288.372 3.749 20 0 CHADMN Clc1scc(CN[C@]23CCC[C@H]2OCC3)c1Cl ZINC000865858678 1124022051 /nfs/dbraw/zinc/02/20/51/1124022051.db2.gz LMRVKANOCRRBCA-SKDRFNHKSA-N 0 1 292.231 3.856 20 0 CHADMN CC[C@@H](C)[C@@H](CNc1ccc2cnccc2c1)OC ZINC000653468900 1124024711 /nfs/dbraw/zinc/02/47/11/1124024711.db2.gz JTEGJJAGKUPUNI-MLGOLLRUSA-N 0 1 258.365 3.708 20 0 CHADMN Cc1ccc(C)c(CN2CCn3cccc3[C@H]2C)c1 ZINC000105030314 1124025096 /nfs/dbraw/zinc/02/50/96/1124025096.db2.gz CILMWQBWVTZUOQ-OAHLLOKOSA-N 0 1 254.377 3.682 20 0 CHADMN FC(F)(F)c1cnccc1N1CCC[C@@]2(CC2(F)F)C1 ZINC000865911943 1124025340 /nfs/dbraw/zinc/02/53/40/1124025340.db2.gz XJENLROKKZOYGF-LLVKDONJSA-N 0 1 292.251 3.726 20 0 CHADMN FCC[C@@H]1CCCN(c2ccncc2C(F)(F)F)C1 ZINC000865943149 1124025890 /nfs/dbraw/zinc/02/58/90/1124025890.db2.gz HJIZNPVHUKEOPD-JTQLQIEISA-N 0 1 276.277 3.676 20 0 CHADMN CC[C@H](C)CONC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000794877016 1124026490 /nfs/dbraw/zinc/02/64/90/1124026490.db2.gz YVAAQLAJMLBRLO-IUCAKERBSA-N 0 1 275.801 3.599 20 0 CHADMN CO[C@@H]1CCN(Cc2ccc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000443076357 1124026551 /nfs/dbraw/zinc/02/65/51/1124026551.db2.gz WYFUVANSMHPJMY-VHSXEESVSA-N 0 1 293.354 3.766 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)[C@H]3C[C@H]3C3CC3)cc2[nH]1 ZINC000475594388 1124030058 /nfs/dbraw/zinc/03/00/58/1124030058.db2.gz ZFJQYFZJJUTHIE-STQMWFEESA-N 0 1 297.402 3.845 20 0 CHADMN CCc1ccc([C@H](CC)NCc2nnc3ccccn32)cc1 ZINC000193086203 1124033528 /nfs/dbraw/zinc/03/35/28/1124033528.db2.gz IIRGJVOBQOTYLU-INIZCTEOSA-N 0 1 294.402 3.533 20 0 CHADMN C[C@@H](NCc1cccnc1)c1ccc(Cl)s1 ZINC000035232526 1124039671 /nfs/dbraw/zinc/03/96/71/1124039671.db2.gz AZSYTIVXLBLUOP-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2cccc(C)c2C)nn1C ZINC000282017301 1124039942 /nfs/dbraw/zinc/03/99/42/1124039942.db2.gz DULNWLMSXWYWRG-LSDHHAIUSA-N 0 1 271.408 3.757 20 0 CHADMN Cc1noc(C)c1CN[C@H]1c2cc(F)ccc2CC[C@@H]1C ZINC000866243148 1124040327 /nfs/dbraw/zinc/04/03/27/1124040327.db2.gz STPYOZQPOIQYDQ-DYZYQPBXSA-N 0 1 288.366 3.844 20 0 CHADMN CC(C)[C@@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000444519824 1124041014 /nfs/dbraw/zinc/04/10/14/1124041014.db2.gz NIHVVPSPJXDEEE-GFCCVEGCSA-N 0 1 281.783 3.554 20 0 CHADMN CC(C)[C@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000444519825 1124041655 /nfs/dbraw/zinc/04/16/55/1124041655.db2.gz NIHVVPSPJXDEEE-LBPRGKRZSA-N 0 1 281.783 3.554 20 0 CHADMN CCc1nc(-c2ccc(Cl)cc2)[nH]c1C(=O)OC(C)C ZINC000444572680 1124043254 /nfs/dbraw/zinc/04/32/54/1124043254.db2.gz UWLIJXCSYUTKPT-UHFFFAOYSA-N 0 1 292.766 3.858 20 0 CHADMN CC(C)CC[C@@H]1CCCN1Cc1nncn1-c1ccccc1 ZINC000444654680 1124047552 /nfs/dbraw/zinc/04/75/52/1124047552.db2.gz PJGSERDUSUCIEH-INIZCTEOSA-N 0 1 298.434 3.668 20 0 CHADMN CC(C)C[C@@H]1CCCN(Cc2nncn2-c2ccccc2)C1 ZINC000444640141 1124050009 /nfs/dbraw/zinc/05/00/09/1124050009.db2.gz NFVFTPWCJSYIEN-INIZCTEOSA-N 0 1 298.434 3.525 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccc[nH]1)c1cccc(OC)c1OC ZINC000866309614 1124050204 /nfs/dbraw/zinc/05/02/04/1124050204.db2.gz AAWAECIULKIKMY-JSGCOSHPSA-N 0 1 288.391 3.834 20 0 CHADMN CC(C)[C@H](NCc1ccc2c(n1)CCCC2)c1ccccn1 ZINC000866349253 1124055338 /nfs/dbraw/zinc/05/53/38/1124055338.db2.gz XGKUTHYVGMWXHH-IBGZPJMESA-N 0 1 295.430 3.842 20 0 CHADMN CC(C)[C@H]1CCCN([C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000444746093 1124059163 /nfs/dbraw/zinc/05/91/63/1124059163.db2.gz CHXGSLLTXIKGDH-CVEARBPZSA-N 0 1 298.434 3.696 20 0 CHADMN FC(F)C1CCC(N[C@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866374021 1124059376 /nfs/dbraw/zinc/05/93/76/1124059376.db2.gz ZRNRWMKFIYWSBV-DIQYOTHFSA-N 0 1 299.336 3.872 20 0 CHADMN CC(C)c1noc([C@H](C)N2CCC[C@@H](C(C)C)C2)n1 ZINC000444753322 1124060300 /nfs/dbraw/zinc/06/03/00/1124060300.db2.gz NNIUCTPKZCUXFQ-QWHCGFSZSA-N 0 1 265.401 3.622 20 0 CHADMN COc1c(C)cccc1CN[C@@H](c1ccccn1)C(C)C ZINC000866385695 1124060309 /nfs/dbraw/zinc/06/03/09/1124060309.db2.gz YOFSKZFSMMJLOB-QGZVFWFLSA-N 0 1 284.403 3.886 20 0 CHADMN CCCCc1nc(CN2CCC[C@]2(CO)CCC)cs1 ZINC000444767777 1124060757 /nfs/dbraw/zinc/06/07/57/1124060757.db2.gz ADWPWKCYAGRROR-INIZCTEOSA-N 0 1 296.480 3.613 20 0 CHADMN C[C@H](N[C@@H]1CCc2cccc3cccc1c32)c1nccn1C ZINC000866391677 1124061223 /nfs/dbraw/zinc/06/12/23/1124061223.db2.gz NFOMSLRQEIBDFQ-SUMWQHHRSA-N 0 1 291.398 3.911 20 0 CHADMN CC(C)[C@H]1CCCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000444771410 1124062710 /nfs/dbraw/zinc/06/27/10/1124062710.db2.gz JBCCGQCMANVPPJ-KGLIPLIRSA-N 0 1 299.418 3.764 20 0 CHADMN Cc1nccnc1CN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000621331819 1129164012 /nfs/dbraw/zinc/16/40/12/1129164012.db2.gz PHUFLSIKINUDIY-MRXNPFEDSA-N 0 1 287.382 3.801 20 0 CHADMN CCC[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccccn1 ZINC000866450292 1124067087 /nfs/dbraw/zinc/06/70/87/1124067087.db2.gz RQALRXRIRKUIEA-GZBFAFLISA-N 0 1 250.361 3.793 20 0 CHADMN Cc1nccnc1CNC1(c2ccc(Cl)cc2)CCC1 ZINC000621331959 1129164185 /nfs/dbraw/zinc/16/41/85/1129164185.db2.gz WBQCEINMZYVLAY-UHFFFAOYSA-N 0 1 287.794 3.607 20 0 CHADMN CCCN(Cc1oc(C(C)C)nc1C)C[C@H]1CCCCO1 ZINC000428386613 1124071155 /nfs/dbraw/zinc/07/11/55/1124071155.db2.gz IPSSXIBBWZDKFI-OAHLLOKOSA-N 0 1 294.439 3.888 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2cc(F)ccc2Br)C1 ZINC000525411523 1124127463 /nfs/dbraw/zinc/12/74/63/1124127463.db2.gz UFJRRYGENJCQID-UWVGGRQHSA-N 0 1 286.188 3.819 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCNc3ccccc32)o1 ZINC000631729855 1124080796 /nfs/dbraw/zinc/08/07/96/1124080796.db2.gz JTQJHDSGSPUVHF-MRXNPFEDSA-N 0 1 256.349 3.625 20 0 CHADMN CC(F)(F)C(C)(C)CN[C@H]1c2ccccc2OC[C@@H]1F ZINC000866545356 1124081217 /nfs/dbraw/zinc/08/12/17/1124081217.db2.gz FTLKISINUNWHHF-AAEUAGOBSA-N 0 1 287.325 3.729 20 0 CHADMN Cc1ccc2cc([C@@H](C)N[C@@H](C)c3ccnn3C)oc2c1 ZINC000866613085 1124088480 /nfs/dbraw/zinc/08/84/80/1124088480.db2.gz FOMBPKBWQUYHOE-QWHCGFSZSA-N 0 1 283.375 3.887 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cc(F)c(Cl)cc21)c1ccnn1C ZINC000866614230 1124089506 /nfs/dbraw/zinc/08/95/06/1124089506.db2.gz LTKMLQQFCFUNGK-YMTOWFKASA-N 0 1 293.773 3.551 20 0 CHADMN Cc1cncc([C@H](C)N[C@H](C)c2cc3cnccc3o2)c1 ZINC000866621502 1124090226 /nfs/dbraw/zinc/09/02/26/1124090226.db2.gz SDRPCALEVFVCCW-QWHCGFSZSA-N 0 1 281.359 3.943 20 0 CHADMN CCc1ccccc1CSc1nc(C(C)(C)C)n[nH]1 ZINC000445561666 1124090643 /nfs/dbraw/zinc/09/06/43/1124090643.db2.gz RAQLYZSRNUYZAC-UHFFFAOYSA-N 0 1 275.421 3.957 20 0 CHADMN CCc1ccccc1CSc1n[nH]c(C(C)(C)C)n1 ZINC000445561666 1124090648 /nfs/dbraw/zinc/09/06/48/1124090648.db2.gz RAQLYZSRNUYZAC-UHFFFAOYSA-N 0 1 275.421 3.957 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cnc2ccsc2c1 ZINC000631755103 1124094796 /nfs/dbraw/zinc/09/47/96/1124094796.db2.gz YJKMWVWOEQJJJG-JVUFJMBOSA-N 0 1 286.322 3.898 20 0 CHADMN CCCc1ccc(CN[C@@H](C)c2n[nH]c(C(C)C)n2)s1 ZINC000621343032 1129166001 /nfs/dbraw/zinc/16/60/01/1129166001.db2.gz RYRSGYSNCDXVSK-NSHDSACASA-N 0 1 292.452 3.793 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC(C)(C(C)C)CC2)c1 ZINC000428418630 1124099839 /nfs/dbraw/zinc/09/98/39/1124099839.db2.gz CDDSPISKBWKWHN-UHFFFAOYSA-N 0 1 299.418 3.770 20 0 CHADMN CCOc1cc(C)ccc1CNCc1cc(C)oc1C ZINC000121687659 1124100240 /nfs/dbraw/zinc/10/02/40/1124100240.db2.gz RVWDWZBCZMMRJD-UHFFFAOYSA-N 0 1 273.376 3.893 20 0 CHADMN Fc1ccccc1-n1ccc(CN2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000445811655 1124102241 /nfs/dbraw/zinc/10/22/41/1124102241.db2.gz RSQHXPYZOCBDIP-YOEHRIQHSA-N 0 1 299.393 3.776 20 0 CHADMN CC[C@@H](c1ccccc1)N1CCc2ncsc2C1 ZINC000445838997 1124103791 /nfs/dbraw/zinc/10/37/91/1124103791.db2.gz DWDZTVVPGWZCNR-AWEZNQCLSA-N 0 1 258.390 3.653 20 0 CHADMN c1cnc2sc(CN3CCCC4(CCCC4)C3)nc2c1 ZINC000445861843 1124104852 /nfs/dbraw/zinc/10/48/52/1124104852.db2.gz DIFIYUWQLKUZSJ-UHFFFAOYSA-N 0 1 287.432 3.848 20 0 CHADMN Cc1cccc2nc(CN[C@H](CC(F)(F)F)C(C)C)cn21 ZINC000445886847 1124105443 /nfs/dbraw/zinc/10/54/43/1124105443.db2.gz OWNJPQQXAZBYPN-CYBMUJFWSA-N 0 1 299.340 3.709 20 0 CHADMN C[C@H](CC[N@H+]1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000086809774 1129166593 /nfs/dbraw/zinc/16/65/93/1129166593.db2.gz DRRSEKUAJYXALP-HZPDHXFCSA-N 0 1 289.419 3.757 20 0 CHADMN CCc1nnc(SCc2ccc(C)cc2Cl)[nH]1 ZINC000446060646 1124108932 /nfs/dbraw/zinc/10/89/32/1124108932.db2.gz NQHDWJKRCSQUPD-UHFFFAOYSA-N 0 1 267.785 3.621 20 0 CHADMN CCc1n[nH]c(SCc2ccc(C)cc2Cl)n1 ZINC000446060646 1124108934 /nfs/dbraw/zinc/10/89/34/1124108934.db2.gz NQHDWJKRCSQUPD-UHFFFAOYSA-N 0 1 267.785 3.621 20 0 CHADMN CCOc1cc(-c2nc3cc(C)c(OC)cc3[nH]2)ccc1O ZINC000446155335 1124110194 /nfs/dbraw/zinc/11/01/94/1124110194.db2.gz CKKFSXCZSPUBEF-UHFFFAOYSA-N 0 1 298.342 3.651 20 0 CHADMN Fc1ccc(F)c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000446146398 1124110197 /nfs/dbraw/zinc/11/01/97/1124110197.db2.gz VASPAPSSDKUASF-UHFFFAOYSA-N 0 1 299.202 3.922 20 0 CHADMN Fc1ccc(F)c(-c2nc3c[nH]c(C(F)(F)F)cc-3n2)c1 ZINC000446146398 1124110198 /nfs/dbraw/zinc/11/01/98/1124110198.db2.gz VASPAPSSDKUASF-UHFFFAOYSA-N 0 1 299.202 3.922 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CC[C@@](C)(c3ccccc3)C2)n1 ZINC000446738150 1124121560 /nfs/dbraw/zinc/12/15/60/1124121560.db2.gz FMTVADBZFANNSU-RDTXWAMCSA-N 0 1 299.418 3.918 20 0 CHADMN CC[C@@H](NCc1cn2ccccc2n1)c1cccc(F)c1 ZINC000446759831 1124122158 /nfs/dbraw/zinc/12/21/58/1124122158.db2.gz HMFDRBJUUNGSCM-MRXNPFEDSA-N 0 1 283.350 3.714 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1Cl)NCc1ccon1 ZINC000634958679 1129167478 /nfs/dbraw/zinc/16/74/78/1129167478.db2.gz WLPCAHKEAJWPMW-VIFPVBQESA-N 0 1 285.174 3.702 20 0 CHADMN CC(C)c1nc(CN(Cc2ccccc2)[C@H](C)C2CC2)n[nH]1 ZINC000428454067 1124124819 /nfs/dbraw/zinc/12/48/19/1124124819.db2.gz HNNVHJMUYDKDNF-CQSZACIVSA-N 0 1 298.434 3.729 20 0 CHADMN CCSc1cc(CN[C@@H]2CCCc3occc32)ccn1 ZINC000193316258 1124125156 /nfs/dbraw/zinc/12/51/56/1124125156.db2.gz QGZWVPVWTYSLKT-CQSZACIVSA-N 0 1 288.416 3.954 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1cc(F)ccc1Br ZINC000525411524 1124127485 /nfs/dbraw/zinc/12/74/85/1124127485.db2.gz UFJRRYGENJCQID-VHSXEESVSA-N 0 1 286.188 3.819 20 0 CHADMN CCn1nc(C)c(CN(C)Cc2cc(C)cc(C)c2)c1C ZINC000446972961 1124130214 /nfs/dbraw/zinc/13/02/14/1124130214.db2.gz BNSLWGAQDLQYLS-UHFFFAOYSA-N 0 1 285.435 3.769 20 0 CHADMN CCc1nc(C)c(CN(C)Cc2sccc2C)o1 ZINC000428462003 1124130496 /nfs/dbraw/zinc/13/04/96/1124130496.db2.gz SRFIDYIVLJLVLF-UHFFFAOYSA-N 0 1 264.394 3.547 20 0 CHADMN CC(C)O[C@H](CN1C[C@@H](C)OC(C)(C)C1)c1ccccc1 ZINC000428465618 1124130873 /nfs/dbraw/zinc/13/08/73/1124130873.db2.gz SNVBUBXFNJOUBO-NVXWUHKLSA-N 0 1 291.435 3.652 20 0 CHADMN CCOc1cncc(CN[C@]2(c3ccccc3)CC2(C)C)c1 ZINC000621372100 1129168202 /nfs/dbraw/zinc/16/82/02/1129168202.db2.gz PGTRLCBIZFKUCQ-IBGZPJMESA-N 0 1 296.414 3.895 20 0 CHADMN COc1ccc(F)c(CNCc2ccc(C)c(C)c2)c1 ZINC000621375147 1129168282 /nfs/dbraw/zinc/16/82/82/1129168282.db2.gz PRQSTUHPGKQSCR-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN COc1ccc(F)c(CNCc2cccc(C)c2C)c1 ZINC000621374972 1129168323 /nfs/dbraw/zinc/16/83/23/1129168323.db2.gz HSDFSRKZQNEPFG-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN CC(C)c1ccc(C[C@@H](C)NCc2ccon2)cc1 ZINC000634974338 1129168701 /nfs/dbraw/zinc/16/87/01/1129168701.db2.gz YCMJZEWHEZPJRO-CYBMUJFWSA-N 0 1 258.365 3.519 20 0 CHADMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000414656079 1129172061 /nfs/dbraw/zinc/17/20/61/1129172061.db2.gz MIIPOAOAKXVMNR-IBGZPJMESA-N 0 1 295.382 3.650 20 0 CHADMN CC[C@@H](NCc1snnc1C)c1ccc(Cl)cc1 ZINC000293657295 1129177690 /nfs/dbraw/zinc/17/76/90/1129177690.db2.gz LRJDTYSCZXCQGU-GFCCVEGCSA-N 0 1 281.812 3.741 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1C[C@H]2[C@H](CC2(F)F)C1 ZINC001238780451 1131245729 /nfs/dbraw/zinc/24/57/29/1131245729.db2.gz IEPKOCYIKIMABN-SKDRFNHKSA-N 0 1 289.728 3.875 20 0 CHADMN Cc1cc(F)cc(CN2C[C@@H]3CCCC(=O)[C@H]3C2)c1Cl ZINC001238780125 1131245810 /nfs/dbraw/zinc/24/58/10/1131245810.db2.gz GKVVXUUNKHPRPY-FZMZJTMJSA-N 0 1 295.785 3.589 20 0 CHADMN Cc1cc(F)cc(CN2CCC[C@@H](CF)C2)c1Cl ZINC001238780523 1131246085 /nfs/dbraw/zinc/24/60/85/1131246085.db2.gz GSNLBHTWOMEHQW-NSHDSACASA-N 0 1 273.754 3.969 20 0 CHADMN Cc1cc(F)cc(CN2CCC[C@H](CF)C2)c1Cl ZINC001238780521 1131246336 /nfs/dbraw/zinc/24/63/36/1131246336.db2.gz GSNLBHTWOMEHQW-LLVKDONJSA-N 0 1 273.754 3.969 20 0 CHADMN Cc1cc(F)cc(CN2C[C@H]3CCCC(=O)[C@@H]3C2)c1Cl ZINC001238780124 1131246681 /nfs/dbraw/zinc/24/66/81/1131246681.db2.gz GKVVXUUNKHPRPY-BXUZGUMPSA-N 0 1 295.785 3.589 20 0 CHADMN COC[C@@H]1CCCCN1Cc1c(C)cc(F)cc1Cl ZINC001238780416 1131247019 /nfs/dbraw/zinc/24/70/19/1131247019.db2.gz HIKCVBSINTVCOB-ZDUSSCGKSA-N 0 1 285.790 3.788 20 0 CHADMN CCN(CCn1ccnc1)Cc1c(C)cc(F)cc1Cl ZINC001238789036 1131247265 /nfs/dbraw/zinc/24/72/65/1131247265.db2.gz SXSMKIFKPABLFR-UHFFFAOYSA-N 0 1 295.789 3.506 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CCC[C@@]12CCOC2 ZINC001238788122 1131248176 /nfs/dbraw/zinc/24/81/76/1131248176.db2.gz MOTXICZJFSWTPS-HNNXBMFYSA-N 0 1 283.774 3.542 20 0 CHADMN CC(C)Oc1cc(CN2CCCC[C@H](C)C2)c(F)cn1 ZINC001238795043 1131249051 /nfs/dbraw/zinc/24/90/51/1131249051.db2.gz UHCZBAHATQGYRY-ZDUSSCGKSA-N 0 1 280.387 3.630 20 0 CHADMN CCCCc1cc(=O)n(-c2nc3ccc(F)cc3s2)[nH]1 ZINC001245926052 1131250395 /nfs/dbraw/zinc/25/03/95/1131250395.db2.gz COGHDANOTCPIFJ-UHFFFAOYSA-N 0 1 291.351 3.669 20 0 CHADMN CC1(C)C[C@H](n2[nH]c(C3CCCCC3)cc2=O)C(C)(C)O1 ZINC001119378198 1131252852 /nfs/dbraw/zinc/25/28/52/1131252852.db2.gz CVDLRSULHIQDHG-AWEZNQCLSA-N 0 1 292.423 3.501 20 0 CHADMN Cc1oc(C[N@@H+](C)C[C@H]2CCCC(C)(C)C2)cc1C(=O)[O-] ZINC001119597119 1131258763 /nfs/dbraw/zinc/25/87/63/1131258763.db2.gz HTFBGLVQGILWAT-ZDUSSCGKSA-N 0 1 293.407 3.934 20 0 CHADMN CC(C)[C@H]1COCCN1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170934906 1131258558 /nfs/dbraw/zinc/25/85/58/1131258558.db2.gz NYLIHOMHZMDADO-RHSMWYFYSA-N 0 1 293.838 3.554 20 0 CHADMN FC(F)n1cc(-c2ccc(C3=NCCC3)cc2)cn1 ZINC001238866239 1131260746 /nfs/dbraw/zinc/26/07/46/1131260746.db2.gz YGGNBTORRMGIBY-UHFFFAOYSA-N 0 1 261.275 3.528 20 0 CHADMN Cc1nnsc1[C@H](C)N[C@@H](c1ccccc1C)C1CC1 ZINC001119698971 1131261766 /nfs/dbraw/zinc/26/17/66/1131261766.db2.gz YYXYHHKCZCJPQK-XHDPSFHLSA-N 0 1 287.432 3.957 20 0 CHADMN C[C@@H](CN1CCc2ncsc2C1)c1cccc(Cl)c1 ZINC000525872009 1124478026 /nfs/dbraw/zinc/47/80/26/1124478026.db2.gz RPNAALZGASDMGK-NSHDSACASA-N 0 1 292.835 3.958 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1cc2ccccc2[nH]c1=O ZINC001238880291 1131262845 /nfs/dbraw/zinc/26/28/45/1131262845.db2.gz AFAIFFWFPHYKKC-UHFFFAOYSA-N 0 1 275.311 3.792 20 0 CHADMN Cc1noc([C@H](C)N[C@H](C)[C@@H](C)C2CCCCC2)n1 ZINC000525995658 1124487910 /nfs/dbraw/zinc/48/79/10/1124487910.db2.gz DSIUUBMLQWYDBU-UTUOFQBUSA-N 0 1 265.401 3.634 20 0 CHADMN c1nc2c(ccnc2-c2csc3ccccc23)[nH]1 ZINC001238881442 1131263371 /nfs/dbraw/zinc/26/33/71/1131263371.db2.gz GBBYHLNBQTYMHT-UHFFFAOYSA-N 0 1 251.314 3.840 20 0 CHADMN CCc1ccc([C@@H](CO)N[C@H](C)c2cc(C)oc2C)cc1 ZINC000447576656 1124496277 /nfs/dbraw/zinc/49/62/77/1124496277.db2.gz ZGEKYTMNVNUZNN-FZKQIMNGSA-N 0 1 287.403 3.843 20 0 CHADMN Cc1cccc(C)c1OCCCN1CCC[C@@H]1c1cc[nH]n1 ZINC000429725210 1124503113 /nfs/dbraw/zinc/50/31/13/1124503113.db2.gz YFAQOYCBPGSYQI-QGZVFWFLSA-N 0 1 299.418 3.633 20 0 CHADMN Fc1ccc([C@@H](NCC23CCC(CC2)C3)c2ncc[nH]2)cc1 ZINC000526118326 1124512387 /nfs/dbraw/zinc/51/23/87/1124512387.db2.gz QFRKASOMFYVRMG-CRPOECCBSA-N 0 1 299.393 3.808 20 0 CHADMN Cc1cc(C)cc(C2=CCN(CC3(F)CC3)CC2)c1 ZINC000526984643 1124539163 /nfs/dbraw/zinc/53/91/63/1124539163.db2.gz SQJHFTMIADXQTA-UHFFFAOYSA-N 0 1 259.368 3.895 20 0 CHADMN Cc1ccccc1[C@@H](NCc1nccn1C1CC1)C1CC1 ZINC001119946965 1131267005 /nfs/dbraw/zinc/26/70/05/1131267005.db2.gz JBZIKBQVONUUOT-SFHVURJKSA-N 0 1 281.403 3.767 20 0 CHADMN Cc1cc(CNCc2ccnn2-c2ccccc2)ccc1F ZINC000447938785 1124545116 /nfs/dbraw/zinc/54/51/16/1124545116.db2.gz CDXNIQSZCNGHIK-UHFFFAOYSA-N 0 1 295.361 3.610 20 0 CHADMN Clc1cccc(CNCc2ccnn2-c2ccccc2)c1 ZINC000447937212 1124547231 /nfs/dbraw/zinc/54/72/31/1124547231.db2.gz VXTQRNXPWDEIKZ-UHFFFAOYSA-N 0 1 297.789 3.816 20 0 CHADMN CCS[C@H]1CCC[C@H](NCc2nnc(C3CC3)s2)C1 ZINC001119955059 1131268324 /nfs/dbraw/zinc/26/83/24/1131268324.db2.gz YWHHRPOHCHAEKL-RYUDHWBXSA-N 0 1 297.493 3.569 20 0 CHADMN Cc1cc(-c2cc(OC(C)C)cnc2F)cc2nc[nH]c21 ZINC001238894150 1131268840 /nfs/dbraw/zinc/26/88/40/1131268840.db2.gz ZHHOQDZKSHORQC-UHFFFAOYSA-N 0 1 285.322 3.860 20 0 CHADMN Fc1ccc([C@H](NCC2CCCCC2)c2ncc[nH]2)cc1 ZINC000527348824 1124569229 /nfs/dbraw/zinc/56/92/29/1124569229.db2.gz JWEWJRQZDQOSHV-INIZCTEOSA-N 0 1 287.382 3.808 20 0 CHADMN CC[C@H](C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000871620632 1124620545 /nfs/dbraw/zinc/62/05/45/1124620545.db2.gz HFMQERQUWQKQTP-JKSUJKDBSA-N 0 1 289.419 3.757 20 0 CHADMN CCC[C@H]1CCC[C@H]1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000448980590 1124628827 /nfs/dbraw/zinc/62/88/27/1124628827.db2.gz BIRBAOYLKNWHDF-SWLSCSKDSA-N 0 1 298.390 3.627 20 0 CHADMN CCCN(Cc1c(C)nnn1CC)[C@@H]1CCc2ccccc21 ZINC000449012475 1124629594 /nfs/dbraw/zinc/62/95/94/1124629594.db2.gz CWIVPKYHJUINTG-QGZVFWFLSA-N 0 1 298.434 3.506 20 0 CHADMN CN(Cc1cc(Cl)sc1Cl)C[C@H]1CCOC1 ZINC000449038149 1124637521 /nfs/dbraw/zinc/63/75/21/1124637521.db2.gz RXGMAJBGSYIHKN-MRVPVSSYSA-N 0 1 280.220 3.523 20 0 CHADMN Fc1cnccc1CN1CCC(c2ccccc2)CC1 ZINC000449007063 1124631865 /nfs/dbraw/zinc/63/18/65/1124631865.db2.gz BGVQTRUHLZZPMC-UHFFFAOYSA-N 0 1 270.351 3.600 20 0 CHADMN C[C@H](c1ccco1)N(C)Cc1cc2cccnc2o1 ZINC000449010990 1124632499 /nfs/dbraw/zinc/63/24/99/1124632499.db2.gz NTKLGJCGBJWIFI-LLVKDONJSA-N 0 1 256.305 3.614 20 0 CHADMN CN(Cc1cnc(-c2ccccc2F)s1)C1CC1 ZINC000449010989 1124633832 /nfs/dbraw/zinc/63/38/32/1124633832.db2.gz NSYKZYOMRHIDFJ-UHFFFAOYSA-N 0 1 262.353 3.543 20 0 CHADMN CSCCCCCCc1nc([C@H](N)CC(C)C)no1 ZINC000871786568 1124636423 /nfs/dbraw/zinc/63/64/23/1124636423.db2.gz DYURFQVTZRDVBJ-GFCCVEGCSA-N 0 1 285.457 3.581 20 0 CHADMN CC(C)CC[C@@H]1CCC[N@H+]1Cc1ccncc1F ZINC000449034618 1124637013 /nfs/dbraw/zinc/63/70/13/1124637013.db2.gz DATNJSAOVNORMP-AWEZNQCLSA-N 0 1 250.361 3.621 20 0 CHADMN c1c(-c2nc([C@@H]3CCCN3)no2)[nH]c2cccc(C3CC3)c12 ZINC000871789156 1124637304 /nfs/dbraw/zinc/63/73/04/1124637304.db2.gz QTTIKKBYTZGJPC-AWEZNQCLSA-N 0 1 294.358 3.520 20 0 CHADMN Cc1cnc(CCN(C)Cc2cccc(C)c2F)s1 ZINC000449037816 1124637656 /nfs/dbraw/zinc/63/76/56/1124637656.db2.gz PGNSRXLSOUEWOH-UHFFFAOYSA-N 0 1 278.396 3.574 20 0 CHADMN Cc1ccccc1[C@H](N)C(=O)Nc1ccc(C(C)C)cc1 ZINC000449067315 1124640983 /nfs/dbraw/zinc/64/09/83/1124640983.db2.gz KJADGYKVVZAVCN-KRWDZBQOSA-N 0 1 282.387 3.757 20 0 CHADMN CC(C)[C@@H]1CN(Cc2ccnn2C2CCCC2)CCS1 ZINC000449051987 1124642916 /nfs/dbraw/zinc/64/29/16/1124642916.db2.gz YMUDVPHHPQUGLZ-INIZCTEOSA-N 0 1 293.480 3.572 20 0 CHADMN CN(CCC(F)(F)F)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001120390121 1131274529 /nfs/dbraw/zinc/27/45/29/1131274529.db2.gz KYRMFSYNUQOFCJ-VXGBXAGGSA-N 0 1 261.262 3.566 20 0 CHADMN C/C(Cl)=C/CN1CCC(OC2CCCCC2)CC1 ZINC000528366826 1124648859 /nfs/dbraw/zinc/64/88/59/1124648859.db2.gz PUVRINVJIJTDIV-QPEQYQDCSA-N 0 1 271.832 3.943 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2cccnc2C(F)(F)F)C1 ZINC000528398201 1124653230 /nfs/dbraw/zinc/65/32/30/1124653230.db2.gz YCCZPBKHDKIZRG-MNOVXSKESA-N 0 1 272.314 3.721 20 0 CHADMN Fc1ccccc1[C@H]1CCN(Cc2ncccc2Cl)C1 ZINC000528381685 1124653936 /nfs/dbraw/zinc/65/39/36/1124653936.db2.gz RHCCYASCDZPFAF-LBPRGKRZSA-N 0 1 290.769 3.864 20 0 CHADMN CC(C)[C@H]1CCc2[nH]n(-c3ccc(Cl)nc3)c(=O)c2C1 ZINC000871955347 1124654870 /nfs/dbraw/zinc/65/48/70/1124654870.db2.gz YHBJJAKKLJPDCZ-JQWIXIFHSA-N 0 1 291.782 3.510 20 0 CHADMN CC(C)[C@@H]1CCc2[nH]n(C[C@@H]3CCCC3(F)F)c(=O)c2C1 ZINC000871964320 1124656138 /nfs/dbraw/zinc/65/61/38/1124656138.db2.gz WOFGIGWZMCFYLP-FRRDWIJNSA-N 0 1 298.377 3.692 20 0 CHADMN CO[C@H](CN[C@H](C)c1cccc(O)c1F)c1ccccc1 ZINC000872023949 1124658810 /nfs/dbraw/zinc/65/88/10/1124658810.db2.gz LTOUVNFNTSUWCZ-MLGOLLRUSA-N 0 1 289.350 3.570 20 0 CHADMN Cc1cc(CNCc2nc3ccc(C)cc3[nH]2)cs1 ZINC000449169426 1124659142 /nfs/dbraw/zinc/65/91/42/1124659142.db2.gz CWLKGYMCJAYCIE-UHFFFAOYSA-N 0 1 271.389 3.531 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cccc(O)c2F)cc1 ZINC000872029960 1124661537 /nfs/dbraw/zinc/66/15/37/1124661537.db2.gz WHKUSHQQOBGDOG-VXGBXAGGSA-N 0 1 289.350 3.952 20 0 CHADMN CC(C)c1nnc(CN[C@H](C)CC(C)(C)C)s1 ZINC000449194625 1124664122 /nfs/dbraw/zinc/66/41/22/1124664122.db2.gz UXONZSIJIWQVRX-SNVBAGLBSA-N 0 1 255.431 3.576 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@@H](C)c1cccc(O)c1F ZINC000872062464 1124671292 /nfs/dbraw/zinc/67/12/92/1124671292.db2.gz HJHKXMFOTYNCJI-SFYZADRCSA-N 0 1 265.250 3.523 20 0 CHADMN C/C(Cl)=C\CN1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000528521378 1124682148 /nfs/dbraw/zinc/68/21/48/1124682148.db2.gz QNXKHAMTNZNDOV-UNLJNPQMSA-N 0 1 255.711 3.792 20 0 CHADMN COCC(C)(C)CCN[C@@H](CCc1ccccc1)C(F)F ZINC000872104713 1124682435 /nfs/dbraw/zinc/68/24/35/1124682435.db2.gz NRDXKWPWVRGQSH-HNNXBMFYSA-N 0 1 299.405 3.905 20 0 CHADMN COCC(C)(C)CCN[C@H](CCc1ccccc1)C(F)F ZINC000872104714 1124682721 /nfs/dbraw/zinc/68/27/21/1124682721.db2.gz NRDXKWPWVRGQSH-OAHLLOKOSA-N 0 1 299.405 3.905 20 0 CHADMN COc1cc(C)ccc1CN1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000449295850 1124685743 /nfs/dbraw/zinc/68/57/43/1124685743.db2.gz VRJKQHLIRSSAKD-DGCLKSJQSA-N 0 1 287.325 3.776 20 0 CHADMN CC[C@@H](N[C@H](C)c1nccnc1C)c1ccsc1 ZINC000872132991 1124692557 /nfs/dbraw/zinc/69/25/57/1124692557.db2.gz JBIPXMLUUUJXGX-DGCLKSJQSA-N 0 1 261.394 3.648 20 0 CHADMN CC[C@@H](N[C@H](C)c1nccnc1C)c1ccc2c(c1)CCO2 ZINC000872133818 1124692600 /nfs/dbraw/zinc/69/26/00/1124692600.db2.gz OTJXVEQENOHVSU-CZUORRHYSA-N 0 1 297.402 3.522 20 0 CHADMN c1c2cccnc2oc1CN1CCC[C@@H]1c1cccnc1 ZINC000449321833 1124693193 /nfs/dbraw/zinc/69/31/93/1124693193.db2.gz UYJMKDSZMBKZGN-MRXNPFEDSA-N 0 1 279.343 3.560 20 0 CHADMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1cc(C(=O)[O-])cs1)C1CC1 ZINC000872157147 1124695402 /nfs/dbraw/zinc/69/54/02/1124695402.db2.gz LXVLTGVMRZDFLW-GHMZBOCLSA-N 0 1 281.421 3.845 20 0 CHADMN Cc1ccc(C[N@@H+](C2CC2)C2CCCC2)cc1C(=O)[O-] ZINC000872157089 1124695918 /nfs/dbraw/zinc/69/59/18/1124695918.db2.gz JDFLOQOPSDAEMY-UHFFFAOYSA-N 0 1 273.376 3.600 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@]3(C(=O)[O-])CCC[C@H]23)C1 ZINC000872167492 1124697063 /nfs/dbraw/zinc/69/70/63/1124697063.db2.gz DOHPPWAVBNNHPT-PNBKFKSVSA-N 0 1 279.424 3.532 20 0 CHADMN C[C@@H](C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1)CC(C)(C)C ZINC000872159479 1124697136 /nfs/dbraw/zinc/69/71/36/1124697136.db2.gz IGDFFHGMXBNLNR-CJNGLKHVSA-N 0 1 289.419 3.743 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@H+]([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000872162781 1124697248 /nfs/dbraw/zinc/69/72/48/1124697248.db2.gz WAFHGKUXYTVDPG-AWEZNQCLSA-N 0 1 297.398 3.894 20 0 CHADMN C[C@@H](Cc1ccoc1)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000449333948 1124697975 /nfs/dbraw/zinc/69/79/75/1124697975.db2.gz CTEGZRPOXONVCC-IINYFYTJSA-N 0 1 293.313 3.602 20 0 CHADMN CCCn1cc(CN[C@H](C)c2ccc(F)c(C)c2)cn1 ZINC000449372251 1124704925 /nfs/dbraw/zinc/70/49/25/1124704925.db2.gz FBPGHGLCPVUHKL-CYBMUJFWSA-N 0 1 275.371 3.591 20 0 CHADMN CCCCOc1ncc(-c2ccc(CN(C)C)cn2)cc1C ZINC001238960735 1131279041 /nfs/dbraw/zinc/27/90/41/1131279041.db2.gz GYCSWTUCNLOLOQ-UHFFFAOYSA-N 0 1 299.418 3.693 20 0 CHADMN COC[C@]1(C)CCN(Cc2c(Cl)cccc2Cl)C1 ZINC000449389397 1124718535 /nfs/dbraw/zinc/71/85/35/1124718535.db2.gz CMPDZNPNKKCRCT-CQSZACIVSA-N 0 1 288.218 3.852 20 0 CHADMN C[C@@H]1CCCC[C@H]1CN1CC(C)(C)[C@@H]1c1nccn1C ZINC000449413792 1124722100 /nfs/dbraw/zinc/72/21/00/1124722100.db2.gz KFVCIPLPSCMMAM-ILXRZTDVSA-N 0 1 275.440 3.629 20 0 CHADMN c1cc(N2CCCC2)oc1CN1CCC[C@H]1c1cccnc1 ZINC001137061307 1124722826 /nfs/dbraw/zinc/72/28/26/1124722826.db2.gz PUOFNVIZCLRHDW-KRWDZBQOSA-N 0 1 297.402 3.612 20 0 CHADMN Cc1noc(C23CC(C2)CN3CC[C@@H]2CCC[C@H](C)C2)n1 ZINC000528625088 1124724095 /nfs/dbraw/zinc/72/40/95/1124724095.db2.gz UHUQOADKUDLRPN-QPDVLNQLSA-N 0 1 289.423 3.515 20 0 CHADMN Cc1cnc(N2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)s1 ZINC000872649379 1124724232 /nfs/dbraw/zinc/72/42/32/1124724232.db2.gz ZAIKUTPKQGXZLZ-LBPRGKRZSA-N 0 1 290.436 3.682 20 0 CHADMN Brc1ccc2c(c1)CN(C1CCCC1)C2 ZINC000222154736 1124726214 /nfs/dbraw/zinc/72/62/14/1124726214.db2.gz IBSCEGLIVPPEKH-UHFFFAOYSA-N 0 1 266.182 3.707 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1CN1CC(C)(C)[C@H]1c1nccn1C ZINC000449412490 1124730246 /nfs/dbraw/zinc/73/02/46/1124730246.db2.gz FSPUQGLWSBOWAW-ARFHVFGLSA-N 0 1 287.451 3.795 20 0 CHADMN CCc1noc(CC)c1CNCc1cccc2ncccc12 ZINC000873075402 1124735581 /nfs/dbraw/zinc/73/55/81/1124735581.db2.gz WSCNVTKZQDSSBV-UHFFFAOYSA-N 0 1 295.386 3.637 20 0 CHADMN CCCCOc1ncc(-c2cccn3cncc23)cc1C ZINC001238964233 1131280546 /nfs/dbraw/zinc/28/05/46/1131280546.db2.gz HLTVPDOYWMTHES-UHFFFAOYSA-N 0 1 281.359 3.884 20 0 CHADMN CCCc1nc(C)c(CNCc2cccc3ncccc23)o1 ZINC000873127991 1124740059 /nfs/dbraw/zinc/74/00/59/1124740059.db2.gz ZEKZTMMMAMASMT-UHFFFAOYSA-N 0 1 295.386 3.774 20 0 CHADMN C[C@@]12CN(Cc3csc(C4CC4)n3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000449448373 1124742989 /nfs/dbraw/zinc/74/29/89/1124742989.db2.gz HBCSXWQLAKKBSN-RMRKRWHISA-N 0 1 286.444 3.665 20 0 CHADMN CCc1ncc(CNCc2ccc(C(C)(C)C)s2)cn1 ZINC000873153634 1124743520 /nfs/dbraw/zinc/74/35/20/1124743520.db2.gz BNZVXJLIMPBIKC-UHFFFAOYSA-N 0 1 289.448 3.688 20 0 CHADMN C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1ccccc1F ZINC000449457601 1124747182 /nfs/dbraw/zinc/74/71/82/1124747182.db2.gz GGZQFGHHVGZHBU-ZYHUDNBSSA-N 0 1 275.289 3.989 20 0 CHADMN Cc1cc(Cl)cc(CN[C@@H](C)c2nccnc2C)c1 ZINC000873186480 1124747366 /nfs/dbraw/zinc/74/73/66/1124747366.db2.gz BNUCEUBXRNEBPZ-LBPRGKRZSA-N 0 1 275.783 3.598 20 0 CHADMN Cc1occc1CN[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000873185707 1124747403 /nfs/dbraw/zinc/74/74/03/1124747403.db2.gz QDNPTBNNKRMOPX-VIFPVBQESA-N 0 1 284.281 3.853 20 0 CHADMN C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1ccc(F)cc1 ZINC000449459755 1124748455 /nfs/dbraw/zinc/74/84/55/1124748455.db2.gz LTTUKSUCBIQHSG-ZYHUDNBSSA-N 0 1 275.289 3.989 20 0 CHADMN CCc1ccc(CNCc2cnc(OC)c(Cl)c2)cc1 ZINC000449464258 1124757896 /nfs/dbraw/zinc/75/78/96/1124757896.db2.gz YXLZLUUUZVWENP-UHFFFAOYSA-N 0 1 290.794 3.596 20 0 CHADMN C=C/C=C\CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC001136325282 1131281987 /nfs/dbraw/zinc/28/19/87/1131281987.db2.gz OSHWFPFAPMOXEN-ARJAWSKDSA-N 0 1 293.326 3.894 20 0 CHADMN CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C)C[C@H]1C ZINC000449497915 1124769267 /nfs/dbraw/zinc/76/92/67/1124769267.db2.gz KSFKJMFBYPHJOZ-CJNGLKHVSA-N 0 1 281.827 3.895 20 0 CHADMN CCO[C@@H]1CCN(Cc2ccc(F)cc2Cl)C[C@@H]1C ZINC000449496663 1124771065 /nfs/dbraw/zinc/77/10/65/1124771065.db2.gz QEELSOBIPGWNNC-XHDPSFHLSA-N 0 1 285.790 3.726 20 0 CHADMN Cc1nnc([C@H](C)N(C)C[C@H](C)C2CCCCC2)o1 ZINC000528775693 1124801338 /nfs/dbraw/zinc/80/13/38/1124801338.db2.gz YDLZVJJPHTZLCO-RYUDHWBXSA-N 0 1 265.401 3.587 20 0 CHADMN Cc1cnc(CN(C)C[C@@H](C)C2CCCCC2)o1 ZINC000528774537 1124801250 /nfs/dbraw/zinc/80/12/50/1124801250.db2.gz RQVXRKYOMWKIRL-GFCCVEGCSA-N 0 1 250.386 3.631 20 0 CHADMN Fc1ccc(CC2(NCc3ncc(Cl)s3)CC2)cc1 ZINC000449564223 1124806143 /nfs/dbraw/zinc/80/61/43/1124806143.db2.gz CNUDHJXLSYJJCY-UHFFFAOYSA-N 0 1 296.798 3.801 20 0 CHADMN C/C(=C\c1ccccc1)CN[C@@H]1C[C@H](C)n2ccnc21 ZINC000449575632 1124808793 /nfs/dbraw/zinc/80/87/93/1124808793.db2.gz YMARDXKRKWAPEI-AWIOHZCQSA-N 0 1 267.376 3.582 20 0 CHADMN C/C(=C/c1ccccc1)CN[C@@H]1C[C@H](C)n2ccnc21 ZINC000449575633 1124810101 /nfs/dbraw/zinc/81/01/01/1124810101.db2.gz YMARDXKRKWAPEI-PXXUHZIESA-N 0 1 267.376 3.582 20 0 CHADMN CCCc1ncc(CNC/C=C\c2ccc(F)cc2F)o1 ZINC000449614377 1124816531 /nfs/dbraw/zinc/81/65/31/1124816531.db2.gz VICHQWQTPJTCPH-HYXAFXHYSA-N 0 1 292.329 3.708 20 0 CHADMN CC1(C2(NCc3ncc(C(F)(F)F)s3)CC2)CC1 ZINC000449672217 1124835908 /nfs/dbraw/zinc/83/59/08/1124835908.db2.gz VLFAOQNZQZQXKA-UHFFFAOYSA-N 0 1 276.327 3.584 20 0 CHADMN CC(C)c1cnc(CNC2(C3(C)CC3)CC2)s1 ZINC000449671708 1124840185 /nfs/dbraw/zinc/84/01/85/1124840185.db2.gz KQTLWWRTKOUATC-UHFFFAOYSA-N 0 1 250.411 3.689 20 0 CHADMN Cc1nocc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1C ZINC000449733026 1124850532 /nfs/dbraw/zinc/85/05/32/1124850532.db2.gz NOLUAPWHGLAZLD-INIZCTEOSA-N 0 1 274.339 3.768 20 0 CHADMN Cc1nocc1CN1CCC[C@H]1c1ccc(F)cc1C ZINC000449733026 1124850535 /nfs/dbraw/zinc/85/05/35/1124850535.db2.gz NOLUAPWHGLAZLD-INIZCTEOSA-N 0 1 274.339 3.768 20 0 CHADMN Cc1cc(F)ccc1[C@H]1CCCN1Cc1cncs1 ZINC000449731356 1124850727 /nfs/dbraw/zinc/85/07/27/1124850727.db2.gz IGLGZTKAYLHANR-OAHLLOKOSA-N 0 1 276.380 3.928 20 0 CHADMN Fc1ccc(F)c(CN2CCC[C@]3(CCSC3)C2)c1 ZINC000449734596 1124853198 /nfs/dbraw/zinc/85/31/98/1124853198.db2.gz SCPXWVWXOWXYMY-HNNXBMFYSA-N 0 1 283.387 3.684 20 0 CHADMN Cc1nc(CN(C(C)C)C2CC(C)(C)C2)cs1 ZINC000449780244 1124871322 /nfs/dbraw/zinc/87/13/22/1124871322.db2.gz FWCCZNJCTPJYKX-UHFFFAOYSA-N 0 1 252.427 3.851 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C[C@@H](C)c1ccco1 ZINC000529148687 1124900869 /nfs/dbraw/zinc/90/08/69/1124900869.db2.gz FBTQTAPWOPHTIW-LLVKDONJSA-N 0 1 283.331 3.597 20 0 CHADMN CCC[C@@H]1CCC[C@H]1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000450011545 1124913540 /nfs/dbraw/zinc/91/35/40/1124913540.db2.gz WAVBZAQHARQDIU-ZIAGYGMSSA-N 0 1 299.418 3.704 20 0 CHADMN Cc1cc(F)ccc1CN(C)Cc1ccc(Cl)nc1 ZINC000125741536 1124921105 /nfs/dbraw/zinc/92/11/05/1124921105.db2.gz REBPBSUDTUQWHW-UHFFFAOYSA-N 0 1 278.758 3.815 20 0 CHADMN c1ccc(C[C@@H]2CCCN2Cc2nnc(C3CC3)s2)cc1 ZINC000450224458 1124952719 /nfs/dbraw/zinc/95/27/19/1124952719.db2.gz BJMOYNBPHKRTIL-HNNXBMFYSA-N 0 1 299.443 3.623 20 0 CHADMN CN(Cc1ccc(Cl)nn1)[C@H]1CCCc2ccccc21 ZINC000876543597 1124958311 /nfs/dbraw/zinc/95/83/11/1124958311.db2.gz GRGQKGVSZVYBKZ-HNNXBMFYSA-N 0 1 287.794 3.639 20 0 CHADMN CCN(Cc1cc2c(cc[nH]c2=O)o1)Cc1ccc(C)cc1 ZINC000876580127 1124960898 /nfs/dbraw/zinc/96/08/98/1124960898.db2.gz GDQVJLYGLQFHQU-UHFFFAOYSA-N 0 1 296.370 3.864 20 0 CHADMN CC(C)N(Cc1ccc(F)cc1)Cc1ccc(Cl)nn1 ZINC000876579092 1124962197 /nfs/dbraw/zinc/96/21/97/1124962197.db2.gz ALUPJOQKRPNGMT-UHFFFAOYSA-N 0 1 293.773 3.680 20 0 CHADMN O=C(c1cccc(-c2cccc3nc[nH]c32)c1)C(F)(F)F ZINC001239380297 1131322587 /nfs/dbraw/zinc/32/25/87/1131322587.db2.gz JTPOLYNIGDHAKX-UHFFFAOYSA-N 0 1 290.244 3.975 20 0 CHADMN CN(C)c1cccc([C@@H]2CCCN2Cc2ccns2)c1 ZINC000876749909 1124974846 /nfs/dbraw/zinc/97/48/46/1124974846.db2.gz RSEFQLFOUWRSBH-INIZCTEOSA-N 0 1 287.432 3.546 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1ccc(Cl)nn1 ZINC000876756004 1124975536 /nfs/dbraw/zinc/97/55/36/1124975536.db2.gz OTSCHONAFBIOLD-YPMHNXCESA-N 0 1 267.804 3.531 20 0 CHADMN CC(C)(O)[C@H]1CCCN1Cc1ccsc1C(F)(F)F ZINC000529541324 1124987485 /nfs/dbraw/zinc/98/74/85/1124987485.db2.gz KHCVNLPUNHUTRJ-SNVBAGLBSA-N 0 1 293.354 3.502 20 0 CHADMN COc1cnc(F)c(CN[C@H](C)c2cc(C)sc2C)c1 ZINC000876914259 1124990393 /nfs/dbraw/zinc/99/03/93/1124990393.db2.gz OSRWSAFXSJTJCW-SNVBAGLBSA-N 0 1 294.395 3.758 20 0 CHADMN CCO[C@@H](C)c1nc(C[N@@H+](CC)CC(C)C)cs1 ZINC000120832158 1124994487 /nfs/dbraw/zinc/99/44/87/1124994487.db2.gz UNEKXMCVWPLGAN-LBPRGKRZSA-N 0 1 270.442 3.719 20 0 CHADMN CCO[C@@H](C)c1nc(CN(CC)CC(C)C)cs1 ZINC000120832158 1124994490 /nfs/dbraw/zinc/99/44/90/1124994490.db2.gz UNEKXMCVWPLGAN-LBPRGKRZSA-N 0 1 270.442 3.719 20 0 CHADMN COc1c(C)cnc(CN[C@@H]2CCc3c2cccc3C)c1C ZINC000877015013 1124997838 /nfs/dbraw/zinc/99/78/38/1124997838.db2.gz DLNHWYSLFOLUDG-QGZVFWFLSA-N 0 1 296.414 3.793 20 0 CHADMN Clc1ccc(CN[C@@H](c2ccccc2)C2CCC2)nn1 ZINC000877011586 1124998116 /nfs/dbraw/zinc/99/81/16/1124998116.db2.gz HCSVDDCBKKCUAO-INIZCTEOSA-N 0 1 287.794 3.761 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2ccnn2CC)cc1 ZINC000120873791 1124999001 /nfs/dbraw/zinc/99/90/01/1124999001.db2.gz ROFJXNBAGZSTQM-GOSISDBHSA-N 0 1 299.418 3.639 20 0 CHADMN Cc1cc(CN2CC(c3ccc(Cl)cc3)C2)ccn1 ZINC000529595540 1125004682 /nfs/dbraw/zinc/00/46/82/1125004682.db2.gz ITRCJDZHOXMRHM-UHFFFAOYSA-N 0 1 272.779 3.643 20 0 CHADMN Cc1ccc(O[C@@H](C)CNCc2nc(Cl)cs2)cc1 ZINC000877067288 1125004909 /nfs/dbraw/zinc/00/49/09/1125004909.db2.gz FVUAFJQDTLRXBE-NSHDSACASA-N 0 1 296.823 3.662 20 0 CHADMN CN(C(=O)c1cccc(F)c1O)[C@@H]1CCCc2ccccc21 ZINC001124117275 1131324870 /nfs/dbraw/zinc/32/48/70/1131324870.db2.gz NOPCUVSFKWEJST-MRXNPFEDSA-N 0 1 299.345 3.681 20 0 CHADMN Clc1cc(CN2CCC[C@@H](c3ccccn3)C2)ccn1 ZINC000821332095 1131324940 /nfs/dbraw/zinc/32/49/40/1131324940.db2.gz KNKBITOTWLETAG-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN COc1cc(C)ccc1CNCc1cccc(Cl)c1N ZINC000877096138 1125009714 /nfs/dbraw/zinc/00/97/14/1125009714.db2.gz YCNYTHAANBYXCP-UHFFFAOYSA-N 0 1 290.794 3.529 20 0 CHADMN C[C@]1(C(=O)Nc2cccc(Cl)c2O)CC=CCC1 ZINC000450402897 1125014319 /nfs/dbraw/zinc/01/43/19/1125014319.db2.gz CQKCRCDKCDBNFK-AWEZNQCLSA-N 0 1 265.740 3.731 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1nnc(C2CC2)s1 ZINC000450414975 1125017712 /nfs/dbraw/zinc/01/77/12/1125017712.db2.gz ZUSZLZWJIVIHPO-DOMZBBRYSA-N 0 1 299.443 3.794 20 0 CHADMN FC(F)(F)c1cccc(CSc2nc(C3CC3)n[nH]2)c1 ZINC000022545900 1125022360 /nfs/dbraw/zinc/02/23/60/1125022360.db2.gz TUUCVICDNIEIPA-UHFFFAOYSA-N 0 1 299.321 3.993 20 0 CHADMN FC(F)(F)c1cccc(CSc2n[nH]c(C3CC3)n2)c1 ZINC000022545900 1125022367 /nfs/dbraw/zinc/02/23/67/1125022367.db2.gz TUUCVICDNIEIPA-UHFFFAOYSA-N 0 1 299.321 3.993 20 0 CHADMN CCOc1cc(F)cc(CN(C)[C@H](C)c2cccnc2)c1 ZINC000877316865 1125022634 /nfs/dbraw/zinc/02/26/34/1125022634.db2.gz AQFPBVUMQZYNIO-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000450440911 1125026504 /nfs/dbraw/zinc/02/65/04/1125026504.db2.gz PWDVTUKJWQYNOS-JTNHKYCSSA-N 0 1 289.375 3.606 20 0 CHADMN CCCN(CCC)C(=O)CN1CCC[C@H]1c1cccs1 ZINC000302749412 1125028780 /nfs/dbraw/zinc/02/87/80/1125028780.db2.gz UTQMYCHMRQNOMF-AWEZNQCLSA-N 0 1 294.464 3.534 20 0 CHADMN COc1c(C)cnc(CNC(C)(C)CC(F)(F)F)c1C ZINC000877459198 1125028940 /nfs/dbraw/zinc/02/89/40/1125028940.db2.gz DSGYVLORCKIJDD-UHFFFAOYSA-N 0 1 290.329 3.528 20 0 CHADMN Cc1ccc(-c2nc(CN(C)[C@@H]3CCSC3)co2)cc1 ZINC000121065245 1125034808 /nfs/dbraw/zinc/03/48/08/1125034808.db2.gz UOFOHZIHPQWJCE-OAHLLOKOSA-N 0 1 288.416 3.587 20 0 CHADMN CCO[P@@](C)(=O)CC[C@H](C)Nc1cc2c(cn1)CCC2 ZINC000877552607 1125044631 /nfs/dbraw/zinc/04/46/31/1125044631.db2.gz FDZIETJUQUQAKE-FKIZINRSSA-N 0 1 296.351 3.705 20 0 CHADMN Cc1nc(CN(C)C[C@H](C)C2CCCCC2)[nH]c1C ZINC000529678999 1125044963 /nfs/dbraw/zinc/04/49/63/1125044963.db2.gz ZKYKWQRUGRGBLP-LBPRGKRZSA-N 0 1 263.429 3.675 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C[C@@H]1CCC(=O)O1)C1CC1 ZINC000821368064 1131327986 /nfs/dbraw/zinc/32/79/86/1131327986.db2.gz JRRIOLFULIATLB-YPMHNXCESA-N 0 1 293.794 3.571 20 0 CHADMN CC[C@@](C)(NCc1cc(F)ncc1F)c1ccc(F)cc1 ZINC000877666062 1125060354 /nfs/dbraw/zinc/06/03/54/1125060354.db2.gz UKLJTXDRAPMNMD-MRXNPFEDSA-N 0 1 294.320 3.914 20 0 CHADMN CC(C)c1nnc(CN2CC[C@H](C)C[C@H](C)C2)s1 ZINC000450607411 1125069668 /nfs/dbraw/zinc/06/96/68/1125069668.db2.gz HHGVMZLSAYHOCL-RYUDHWBXSA-N 0 1 267.442 3.530 20 0 CHADMN CC(C)(C)[C@@H]1C[C@@H](NCc2ncc(Cl)s2)CS1 ZINC000877806716 1125082854 /nfs/dbraw/zinc/08/28/54/1125082854.db2.gz JQBFYIKYKWNUMC-BDAKNGLRSA-N 0 1 290.885 3.806 20 0 CHADMN C[C@@]1(C(F)(F)F)CCN(Cc2cc3ccccc3[nH]2)C1 ZINC000877812251 1125083405 /nfs/dbraw/zinc/08/34/05/1125083405.db2.gz KNTIDEQAVCUMMM-CQSZACIVSA-N 0 1 282.309 3.942 20 0 CHADMN Cc1cccc(CNC(C)(C)c2cccc(F)c2)n1 ZINC000450672158 1125084151 /nfs/dbraw/zinc/08/41/51/1125084151.db2.gz KLDCPNSWRNBBKP-UHFFFAOYSA-N 0 1 258.340 3.554 20 0 CHADMN Cc1csc([C@@H]2CCN(Cc3nc4ccccc4o3)C2)n1 ZINC000877812756 1125085423 /nfs/dbraw/zinc/08/54/23/1125085423.db2.gz AGMLNGOAXRQSIL-GFCCVEGCSA-N 0 1 299.399 3.582 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(F)(F)F)O[C@H](C)C2)s1 ZINC000877821492 1125087036 /nfs/dbraw/zinc/08/70/36/1125087036.db2.gz BCFJILFWFDWKAF-BXKDBHETSA-N 0 1 293.354 3.598 20 0 CHADMN C[C@@H](CN(C)Cc1coc(C2CC2)n1)C(C)(C)C ZINC000877825087 1125088070 /nfs/dbraw/zinc/08/80/70/1125088070.db2.gz PCFCYMUOEQQCCH-NSHDSACASA-N 0 1 250.386 3.666 20 0 CHADMN CC(C)c1nnc(CN2C[C@H](C)[C@@H]3CCCC[C@H]32)s1 ZINC000450721797 1125090306 /nfs/dbraw/zinc/09/03/06/1125090306.db2.gz YAUXWHAVYUFXRU-RWMBFGLXSA-N 0 1 279.453 3.672 20 0 CHADMN CC[C@](C)(CNc1ccnc2cc(F)ccc21)OC ZINC000450708356 1125092187 /nfs/dbraw/zinc/09/21/87/1125092187.db2.gz CRAOIQCSKAFFDB-OAHLLOKOSA-N 0 1 262.328 3.601 20 0 CHADMN CC(C)c1nnc(CN2CC[C@@H](C(C)(C)C)C2)s1 ZINC000450719023 1125094778 /nfs/dbraw/zinc/09/47/78/1125094778.db2.gz PADQLAVEDIZZKS-LLVKDONJSA-N 0 1 267.442 3.530 20 0 CHADMN CCCC[C@@H]1CCC[C@H]1N[C@@H](C)c1csnn1 ZINC000450731212 1125096020 /nfs/dbraw/zinc/09/60/20/1125096020.db2.gz XLNBWWMWWOFYFD-QJPTWQEYSA-N 0 1 253.415 3.548 20 0 CHADMN CCCCN(C)Cc1coc(-c2ccccc2OC)n1 ZINC000877900485 1125097582 /nfs/dbraw/zinc/09/75/82/1125097582.db2.gz LPGVVXPDIBFHAW-UHFFFAOYSA-N 0 1 274.364 3.582 20 0 CHADMN Cc1cccc(CN[C@H](C)c2c(C)cccc2C)n1 ZINC000450748982 1125097556 /nfs/dbraw/zinc/09/75/56/1125097556.db2.gz WFSWLSWKIDDQEJ-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN CC(C)(C)OC1CC(Sc2nc(C(C)(C)C)n[nH]2)C1 ZINC000450764977 1125098435 /nfs/dbraw/zinc/09/84/35/1125098435.db2.gz QXFOVFBNGWBQFK-UHFFFAOYSA-N 0 1 283.441 3.540 20 0 CHADMN CC(C)(C)OC1CC(Sc2n[nH]c(C(C)(C)C)n2)C1 ZINC000450764977 1125098442 /nfs/dbraw/zinc/09/84/42/1125098442.db2.gz QXFOVFBNGWBQFK-UHFFFAOYSA-N 0 1 283.441 3.540 20 0 CHADMN CN(Cc1ccco1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000877905852 1125100327 /nfs/dbraw/zinc/10/03/27/1125100327.db2.gz CLWBUETVBQHDGE-IRXDYDNUSA-N 0 1 271.360 3.632 20 0 CHADMN CCS[C@H]1CCCC[C@@H]1NCc1nnc(C2CC2)s1 ZINC000450753323 1125102643 /nfs/dbraw/zinc/10/26/43/1125102643.db2.gz BPJMXEAMQNZDRN-RYUDHWBXSA-N 0 1 297.493 3.569 20 0 CHADMN C[C@H](CN(C)Cc1nccn1C(F)F)CC(C)(C)C ZINC000877958557 1125107746 /nfs/dbraw/zinc/10/77/46/1125107746.db2.gz WLFFYHGFRLGOQA-NSHDSACASA-N 0 1 273.371 3.782 20 0 CHADMN c1ccc([C@@H]2CCN(Cc3nc4c(o3)CCCC4)C2)cc1 ZINC000878013729 1125112699 /nfs/dbraw/zinc/11/26/99/1125112699.db2.gz DCXBTZHGOBOXJE-OAHLLOKOSA-N 0 1 282.387 3.543 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878064375 1125116793 /nfs/dbraw/zinc/11/67/93/1125116793.db2.gz RRZUQKXSLZWKKX-YVEFUNNKSA-N 0 1 297.402 3.838 20 0 CHADMN Cc1ccc(CN2CC[C@@H](c3ccco3)C2)nc1Cl ZINC000878092939 1125119200 /nfs/dbraw/zinc/11/92/00/1125119200.db2.gz CNGFKQCFKVTRBY-GFCCVEGCSA-N 0 1 276.767 3.626 20 0 CHADMN CCSCCN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000121418854 1125119848 /nfs/dbraw/zinc/11/98/48/1125119848.db2.gz ZSHGXNSQOFGYRF-UHFFFAOYSA-N 0 1 295.292 3.556 20 0 CHADMN C(c1nc2c(o1)CCCC2)N1CCC2(CCCC2)CC1 ZINC000878121305 1125121859 /nfs/dbraw/zinc/12/18/59/1125121859.db2.gz KHCPDBTYKFNVIN-UHFFFAOYSA-N 0 1 274.408 3.710 20 0 CHADMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC000878152198 1125123525 /nfs/dbraw/zinc/12/35/25/1125123525.db2.gz WBLYABAWFSKMGJ-QWHCGFSZSA-N 0 1 294.464 3.659 20 0 CHADMN CCS[C@@H]1CC[C@H](N(C)Cc2nc3c(o2)CCCC3)C1 ZINC000878152198 1125123530 /nfs/dbraw/zinc/12/35/30/1125123530.db2.gz WBLYABAWFSKMGJ-QWHCGFSZSA-N 0 1 294.464 3.659 20 0 CHADMN C[C@@H]1c2ccccc2CN1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878158075 1125125895 /nfs/dbraw/zinc/12/58/95/1125125895.db2.gz SXZUONQTIMJUPP-LGWLGOQQSA-N 0 1 257.377 3.521 20 0 CHADMN CCCc1ccccc1NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000878205026 1125131449 /nfs/dbraw/zinc/13/14/49/1125131449.db2.gz DLQPWIHAXKIAFN-SJKOYZFVSA-N 0 1 297.402 3.667 20 0 CHADMN CC1(C)CCC[C@H](CNC2(c3nccs3)CCCC2)O1 ZINC000878261652 1125135407 /nfs/dbraw/zinc/13/54/07/1125135407.db2.gz KUXVBFPISKZJRR-CYBMUJFWSA-N 0 1 294.464 3.850 20 0 CHADMN CC(C)CCOC1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC000121602413 1125138189 /nfs/dbraw/zinc/13/81/89/1125138189.db2.gz WLOCRIHVXHSQBJ-UHFFFAOYSA-N 0 1 297.389 3.992 20 0 CHADMN CCCCC[N@@H+](CCCOC)Cc1nc2c(o1)CCCC2 ZINC000878391589 1125147926 /nfs/dbraw/zinc/14/79/26/1125147926.db2.gz ODGPNPGQBRYOSY-UHFFFAOYSA-N 0 1 294.439 3.582 20 0 CHADMN CCCCCN(CCCOC)Cc1nc2c(o1)CCCC2 ZINC000878391589 1125147927 /nfs/dbraw/zinc/14/79/27/1125147927.db2.gz ODGPNPGQBRYOSY-UHFFFAOYSA-N 0 1 294.439 3.582 20 0 CHADMN CC1(C)CCCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000303857067 1125148464 /nfs/dbraw/zinc/14/84/64/1125148464.db2.gz FSPFHLYWXBMMOY-UHFFFAOYSA-N 0 1 291.420 3.810 20 0 CHADMN CC[C@H](NC[C@@H]1CCC(C)(C)CO1)c1nc(C)cs1 ZINC000878409031 1125150358 /nfs/dbraw/zinc/15/03/58/1125150358.db2.gz XUSYXEXCIDCBRO-STQMWFEESA-N 0 1 282.453 3.697 20 0 CHADMN C[C@H](NCC1CC2(CCC2)C1)c1nc(C(C)(C)C)no1 ZINC000878425009 1125153758 /nfs/dbraw/zinc/15/37/58/1125153758.db2.gz FBQSQJXAPDSOPI-NSHDSACASA-N 0 1 277.412 3.598 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(OC(F)F)cc2)cn1 ZINC000121805935 1125155900 /nfs/dbraw/zinc/15/59/00/1125155900.db2.gz ZHGUBYIRJMXFFT-UHFFFAOYSA-N 0 1 292.329 3.623 20 0 CHADMN CO[C@@H]1CCN(Cc2cc(F)ccc2Cl)CC1(C)C ZINC000451555666 1125165522 /nfs/dbraw/zinc/16/55/22/1125165522.db2.gz JQUKJHPWWVDQID-CQSZACIVSA-N 0 1 285.790 3.726 20 0 CHADMN FC(F)(F)c1coc(CN2CC[C@@H](c3ccncc3)C2)c1 ZINC000878629289 1125167363 /nfs/dbraw/zinc/16/73/63/1125167363.db2.gz UMUDLSCNSXRKEQ-GFCCVEGCSA-N 0 1 296.292 3.683 20 0 CHADMN C[C@H](NCCCSC(C)(C)C)c1cscn1 ZINC000878915884 1125186101 /nfs/dbraw/zinc/18/61/01/1125186101.db2.gz ONWZANGXQDAKLU-JTQLQIEISA-N 0 1 258.456 3.716 20 0 CHADMN COc1ccccc1-c1nc(CN2CCC23CCCC3)co1 ZINC000878801943 1125179945 /nfs/dbraw/zinc/17/99/45/1125179945.db2.gz SZLVALUMMZNHOH-UHFFFAOYSA-N 0 1 298.386 3.869 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1CCC[C@@H](C)[C@@H]1C ZINC000530863879 1125184165 /nfs/dbraw/zinc/18/41/65/1125184165.db2.gz MGYCJDDWALZMGK-YPMHNXCESA-N 0 1 294.826 3.707 20 0 CHADMN CCC1CCC(N(C)Cc2nc(C(C)(C)C)no2)CC1 ZINC000530902063 1125185709 /nfs/dbraw/zinc/18/57/09/1125185709.db2.gz FYQWULZSJQNPED-UHFFFAOYSA-N 0 1 279.428 3.768 20 0 CHADMN C[C@H]1CN(Cc2csc(Br)c2)C[C@@H]1C ZINC000530971292 1125189330 /nfs/dbraw/zinc/18/93/30/1125189330.db2.gz UKDSQLODDRJBCF-IUCAKERBSA-N 0 1 274.227 3.598 20 0 CHADMN CC(C)n1ccnc1CN1CC[C@@H](C)[C@@H]2CCCC[C@H]21 ZINC000530971547 1125189503 /nfs/dbraw/zinc/18/95/03/1125189503.db2.gz UDNKSPGTTNLNAD-OWCLPIDISA-N 0 1 275.440 3.865 20 0 CHADMN C[C@H]1c2ccccc2C[N@@H+]1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000879021392 1125191123 /nfs/dbraw/zinc/19/11/23/1125191123.db2.gz SXZUONQTIMJUPP-HPZZRFSDSA-N 0 1 257.377 3.521 20 0 CHADMN C[C@H]1c2ccccc2CN1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000879021392 1125191124 /nfs/dbraw/zinc/19/11/24/1125191124.db2.gz SXZUONQTIMJUPP-HPZZRFSDSA-N 0 1 257.377 3.521 20 0 CHADMN CC1(C)C[N@@H+](C[C@@H]2CCCC(C)(C)O2)[C@@H]1c1ccncc1 ZINC000879009775 1125191891 /nfs/dbraw/zinc/19/18/91/1125191891.db2.gz GWBCVSPSHABUEQ-JKSUJKDBSA-N 0 1 288.435 3.812 20 0 CHADMN CC1(C)CN(C[C@@H]2CCCC(C)(C)O2)[C@@H]1c1ccncc1 ZINC000879009775 1125191892 /nfs/dbraw/zinc/19/18/92/1125191892.db2.gz GWBCVSPSHABUEQ-JKSUJKDBSA-N 0 1 288.435 3.812 20 0 CHADMN CC(C)(C)c1nnc(CN[C@@H]2CCC[C@@H]2c2ccccc2)o1 ZINC000879085501 1125195134 /nfs/dbraw/zinc/19/51/34/1125195134.db2.gz MMTSTWPPYNMBBW-HUUCEWRRSA-N 0 1 299.418 3.793 20 0 CHADMN CC(C)CC[C@@H]1CCCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000879164505 1125199904 /nfs/dbraw/zinc/19/99/04/1125199904.db2.gz CAVGQNVXAPSSFX-NSHDSACASA-N 0 1 299.365 3.778 20 0 CHADMN Cc1cccc2c(CN(C)Cc3cccc(F)c3)[nH]nc21 ZINC001137141969 1125204250 /nfs/dbraw/zinc/20/42/50/1125204250.db2.gz PJNPJAGVMYQWLI-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN Cc1nc2ccccn2c1CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000531250702 1125204573 /nfs/dbraw/zinc/20/45/73/1125204573.db2.gz UUFXWBVELGDDHB-SWLSCSKDSA-N 0 1 295.386 3.649 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccc(CF)cc2)s1 ZINC000879252646 1125205467 /nfs/dbraw/zinc/20/54/67/1125205467.db2.gz WTRBXBUBIVOCAA-SNVBAGLBSA-N 0 1 264.369 3.772 20 0 CHADMN COc1ccc(CN(C)Cc2cc(C)nc(Cl)c2)cc1 ZINC000320882766 1125206161 /nfs/dbraw/zinc/20/61/61/1125206161.db2.gz NASMWMSIVLITIX-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN CC(C)(NCc1nsc2ccccc12)[C@H]1CCCCO1 ZINC000879407560 1125213105 /nfs/dbraw/zinc/21/31/05/1125213105.db2.gz MGXVLQULSMDHNK-OAHLLOKOSA-N 0 1 290.432 3.734 20 0 CHADMN c1ccc([C@@H]2CCCN2c2ccnc3ccccc32)nc1 ZINC000531385464 1125215752 /nfs/dbraw/zinc/21/57/52/1125215752.db2.gz ACHPXVJNFVQKMV-SFHVURJKSA-N 0 1 275.355 3.971 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNCc2cccc3c[nH]nc32)o1 ZINC000531452469 1125220015 /nfs/dbraw/zinc/22/00/15/1125220015.db2.gz ZNCUHOBHSACQSG-NHYWBVRUSA-N 0 1 281.359 3.569 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1nc2cc(Cl)ccc2n1C ZINC000123080160 1125222768 /nfs/dbraw/zinc/22/27/68/1125222768.db2.gz LTLWHPSWSKPXSZ-PHIMTYICSA-N 0 1 277.799 3.600 20 0 CHADMN O[C@@H](CCN[C@@H](CF)c1ccc(F)cc1)c1ccccc1 ZINC000879660937 1125223628 /nfs/dbraw/zinc/22/36/28/1125223628.db2.gz WEOGHMRPNLFWBE-IRXDYDNUSA-N 0 1 291.341 3.550 20 0 CHADMN Cc1cncc([C@H]2CCC[N@H+]2Cc2ccc(C)nc2C)c1 ZINC000879749965 1125229514 /nfs/dbraw/zinc/22/95/14/1125229514.db2.gz OHOPLQUNZYBHNN-GOSISDBHSA-N 0 1 281.403 3.739 20 0 CHADMN Cc1cncc([C@H]2CCCN2Cc2ccc(C)nc2C)c1 ZINC000879749965 1125229519 /nfs/dbraw/zinc/22/95/19/1125229519.db2.gz OHOPLQUNZYBHNN-GOSISDBHSA-N 0 1 281.403 3.739 20 0 CHADMN OCCC1C[C@H]2CC[C@@H](C1)N2Cc1c(F)cccc1Cl ZINC000879778534 1125232900 /nfs/dbraw/zinc/23/29/00/1125232900.db2.gz JCGUTZHMYKGUKC-YHWZYXNKSA-N 0 1 297.801 3.605 20 0 CHADMN c1nc(CN2CC[C@@]3(CCc4ccccc43)C2)oc1C1CC1 ZINC000879997992 1125243963 /nfs/dbraw/zinc/24/39/63/1125243963.db2.gz ZYIWCKYCARJDMS-IBGZPJMESA-N 0 1 294.398 3.642 20 0 CHADMN FC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000880237906 1125258293 /nfs/dbraw/zinc/25/82/93/1125258293.db2.gz KNKZJDTZSDPICD-LBPRGKRZSA-N 0 1 292.329 3.662 20 0 CHADMN CC(C)C[C@@H]1CCCN(Cc2cn(-c3ccccc3)nn2)C1 ZINC001168145409 1125259202 /nfs/dbraw/zinc/25/92/02/1125259202.db2.gz MNKQRUIIBXDKOU-INIZCTEOSA-N 0 1 298.434 3.525 20 0 CHADMN Cc1cccc(-c2ccc(CCN3CCOCC3)cc2)c1 ZINC001239488677 1131342766 /nfs/dbraw/zinc/34/27/66/1131342766.db2.gz CWQJKVRGBIQROR-UHFFFAOYSA-N 0 1 281.399 3.537 20 0 CHADMN C[C@@H](c1ncc(-c2ccccc2)o1)N1CC[C@H](CF)C1 ZINC000880293328 1125262849 /nfs/dbraw/zinc/26/28/49/1125262849.db2.gz HQQBUFVULJSZLM-QWHCGFSZSA-N 0 1 274.339 3.694 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CC[C@H](c2nccs2)C1 ZINC000880317104 1125264422 /nfs/dbraw/zinc/26/44/22/1125264422.db2.gz PIFDTSZXMBJXQE-PWSUYJOCSA-N 0 1 294.370 3.972 20 0 CHADMN Cc1csc(CN2CCN(c3ccccc3C)CC2)c1 ZINC001137152113 1125266861 /nfs/dbraw/zinc/26/68/61/1125266861.db2.gz IJADMCDGPHQUMV-UHFFFAOYSA-N 0 1 286.444 3.687 20 0 CHADMN Cc1ccc(CN2CCc3ccsc3[C@H]2C)nc1 ZINC000880377464 1125269625 /nfs/dbraw/zinc/26/96/25/1125269625.db2.gz WPHTVHHWLKCJIZ-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN Cc1cnccc1CN1CCc2ccsc2[C@H]1C ZINC000880377037 1125270284 /nfs/dbraw/zinc/27/02/84/1125270284.db2.gz XRKJRSQOFOJBOP-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN COC(CN(C)Cc1ccc(-c2ccc(C)cc2)cc1)OC ZINC001142309303 1125275970 /nfs/dbraw/zinc/27/59/70/1125275970.db2.gz AAAULYRPMWTGAI-UHFFFAOYSA-N 0 1 299.414 3.713 20 0 CHADMN c1nc(CN[C@@H]2CCC[C@]23CCCO3)oc1-c1ccccc1 ZINC000880512880 1125277527 /nfs/dbraw/zinc/27/75/27/1125277527.db2.gz UIBUZRIOSDARRE-AEFFLSMTSA-N 0 1 298.386 3.533 20 0 CHADMN Clc1cccc([C@@H]2CC[C@@H](NCc3ccon3)C2)c1 ZINC000666093578 1125280924 /nfs/dbraw/zinc/28/09/24/1125280924.db2.gz PWADHIHGIKWXFS-TZMCWYRMSA-N 0 1 276.767 3.754 20 0 CHADMN C[C@H](CNc1ccnc2cc(F)ccc21)C(F)(F)F ZINC000475741101 1125284543 /nfs/dbraw/zinc/28/45/43/1125284543.db2.gz VKBFUULKPHUZPC-MRVPVSSYSA-N 0 1 272.245 3.984 20 0 CHADMN Cc1csc(CN(C)Cc2ccc(Cl)nc2)c1 ZINC001137158291 1125285874 /nfs/dbraw/zinc/28/58/74/1125285874.db2.gz LXYDBMVFUMLSBJ-UHFFFAOYSA-N 0 1 266.797 3.737 20 0 CHADMN Fc1nc2nc[nH]c2c(-c2ccc(-c3ccccc3)cc2)n1 ZINC001239491688 1131344882 /nfs/dbraw/zinc/34/48/82/1131344882.db2.gz DNZUKPISEIEGTK-UHFFFAOYSA-N 0 1 290.301 3.826 20 0 CHADMN CCCCCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)C(C)C ZINC000880863409 1125293591 /nfs/dbraw/zinc/29/35/91/1125293591.db2.gz CCZJJSQCOUYZNK-BBRMVZONSA-N 0 1 291.439 3.503 20 0 CHADMN CCCCCN(C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C)C(C)C ZINC000880863411 1125293684 /nfs/dbraw/zinc/29/36/84/1125293684.db2.gz CCZJJSQCOUYZNK-CZUORRHYSA-N 0 1 291.439 3.503 20 0 CHADMN CSc1ccc(-c2nccc3c2ccn3C)cc1 ZINC001239494610 1131345655 /nfs/dbraw/zinc/34/56/55/1131345655.db2.gz LKHUSKXFBAFEGG-UHFFFAOYSA-N 0 1 254.358 3.962 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccoc2C)cc1C ZINC000897414851 1125316467 /nfs/dbraw/zinc/31/64/67/1125316467.db2.gz MJSYZRMQDQIONG-GFCCVEGCSA-N 0 1 259.349 3.756 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccc(OC)c(C)c2)o1 ZINC000897414645 1125316535 /nfs/dbraw/zinc/31/65/35/1125316535.db2.gz HBRDHDMBTISFBI-CYBMUJFWSA-N 0 1 289.375 3.846 20 0 CHADMN C[C@@H](c1ccccn1)N1CC2(CCCC2)OC(C)(C)C1 ZINC000190966346 1125320589 /nfs/dbraw/zinc/32/05/89/1125320589.db2.gz VHMRYOMHVIPZTF-AWEZNQCLSA-N 0 1 274.408 3.566 20 0 CHADMN CN(CCc1cccs1)Cc1nccn1-c1ccccc1 ZINC000191405562 1125325417 /nfs/dbraw/zinc/32/54/17/1125325417.db2.gz PVYUFDSYRYPSIM-UHFFFAOYSA-N 0 1 297.427 3.608 20 0 CHADMN Cc1cccc(CC[N@H+](C)Cc2ccc(Cl)nc2)c1 ZINC001137167929 1125325830 /nfs/dbraw/zinc/32/58/30/1125325830.db2.gz BUNIBFXZCBFYMU-UHFFFAOYSA-N 0 1 274.795 3.718 20 0 CHADMN C[C@@H]1CCSCCN1Cc1ccccc1OC(F)F ZINC000191815767 1125327546 /nfs/dbraw/zinc/32/75/46/1125327546.db2.gz BOFFZWNQKMWVFK-LLVKDONJSA-N 0 1 287.375 3.615 20 0 CHADMN C[C@H](N[C@@H](C)C1CCC1)c1nc(C2CCCCC2)no1 ZINC000192879911 1125336210 /nfs/dbraw/zinc/33/62/10/1125336210.db2.gz ATTZRRFBEPLOLI-RYUDHWBXSA-N 0 1 277.412 3.957 20 0 CHADMN C[C@@H](N[C@@H](C)C1CCC1)c1nc(C2CCCCC2)no1 ZINC000192879921 1125336597 /nfs/dbraw/zinc/33/65/97/1125336597.db2.gz ATTZRRFBEPLOLI-NWDGAFQWSA-N 0 1 277.412 3.957 20 0 CHADMN CC(C)COCCN[C@@H](C)c1nc2ccccc2s1 ZINC000129833287 1125351669 /nfs/dbraw/zinc/35/16/69/1125351669.db2.gz BRWLLUDRJIDCPV-LBPRGKRZSA-N 0 1 278.421 3.620 20 0 CHADMN Cc1cc(-c2noc([C@@H]3CCC(C)(C)O3)n2)cc2nc[nH]c21 ZINC000350104523 1125358872 /nfs/dbraw/zinc/35/88/72/1125358872.db2.gz ZQNMOICTPPPURB-LBPRGKRZSA-N 0 1 298.346 3.551 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CC[C@H](c2nccs2)C1 ZINC000882859261 1125358960 /nfs/dbraw/zinc/35/89/60/1125358960.db2.gz AJVSFMXVISRBJG-NSHDSACASA-N 0 1 299.374 3.824 20 0 CHADMN CC[C@H](NCc1cccc(C)n1)c1ccc(F)cc1 ZINC000051574197 1125360045 /nfs/dbraw/zinc/36/00/45/1125360045.db2.gz IJSVEUPRFHGERQ-INIZCTEOSA-N 0 1 258.340 3.770 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2ccsc2)s1 ZINC000309532546 1125361754 /nfs/dbraw/zinc/36/17/54/1125361754.db2.gz DMELWFDYKGYSAE-BDAKNGLRSA-N 0 1 252.408 3.925 20 0 CHADMN CC[C@@H](C)[N@@H+](C)Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000037110538 1125365258 /nfs/dbraw/zinc/36/52/58/1125365258.db2.gz ZUVKPWWHRWIXNJ-SECBINFHSA-N 0 1 295.379 3.969 20 0 CHADMN CC(C)[C@@H]1COCC[N@H+]1[C@H](C)Cc1ccc(Cl)cc1 ZINC001168189636 1125366590 /nfs/dbraw/zinc/36/65/90/1125366590.db2.gz UDMIXCAKGRPBKH-CJNGLKHVSA-N 0 1 281.827 3.628 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000263518871 1125367876 /nfs/dbraw/zinc/36/78/76/1125367876.db2.gz PYBPZYQJLCKTHQ-NEPJUHHUSA-N 0 1 295.448 3.731 20 0 CHADMN CC(C)c1c[nH]c(CN[C@@H]2c3ccccc3CC[C@@H]2C)n1 ZINC000883078114 1125370685 /nfs/dbraw/zinc/37/06/85/1125370685.db2.gz HROQANZFIVOXIE-UGSOOPFHSA-N 0 1 283.419 3.946 20 0 CHADMN Cc1ccnc(NCc2cccc3c2CCOC3)c1C1CC1 ZINC000883166858 1125374143 /nfs/dbraw/zinc/37/41/43/1125374143.db2.gz KMRIFILPWKAZHP-UHFFFAOYSA-N 0 1 294.398 3.952 20 0 CHADMN Clc1cscc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000666482164 1125374951 /nfs/dbraw/zinc/37/49/51/1125374951.db2.gz SOUHZDJQYKAHDJ-MWLCHTKSSA-N 0 1 253.754 3.640 20 0 CHADMN C/C=C/C[C@@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000626160202 1125375732 /nfs/dbraw/zinc/37/57/32/1125375732.db2.gz CTUSPVHCCYYCGM-XYBNCVKDSA-N 0 1 297.402 3.915 20 0 CHADMN CC[C@H](NCc1ccn(C)c1)c1sccc1Cl ZINC000883195472 1125376339 /nfs/dbraw/zinc/37/63/39/1125376339.db2.gz UOQHHESVEAPZDN-LBPRGKRZSA-N 0 1 268.813 3.981 20 0 CHADMN CC[C@H](NCc1cnn(CC)c1)c1sccc1Cl ZINC000883203746 1125377027 /nfs/dbraw/zinc/37/70/27/1125377027.db2.gz KGTCEYXFRDVBRR-LBPRGKRZSA-N 0 1 283.828 3.859 20 0 CHADMN C/C=C\C[C@@H]1CCCN(Cc2ccn(C(C)C)n2)C1 ZINC000626162636 1125380827 /nfs/dbraw/zinc/38/08/27/1125380827.db2.gz XBBBBQITXSGCBK-FOSCPCJNSA-N 0 1 261.413 3.642 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000666573584 1125382010 /nfs/dbraw/zinc/38/20/10/1125382010.db2.gz WJAQPLYRRBDYAT-XYPHTWIQSA-N 0 1 287.403 3.785 20 0 CHADMN C/C=C/C[C@H]1CCCN(Cc2ncc(C)s2)C1 ZINC000626163159 1125382264 /nfs/dbraw/zinc/38/22/64/1125382264.db2.gz GBAKKEXEGRCMQH-OOPCZODUSA-N 0 1 250.411 3.630 20 0 CHADMN C/C=C/C[C@H]1CCCN(Cc2ncc(C3CC3)o2)C1 ZINC000626164006 1125382745 /nfs/dbraw/zinc/38/27/45/1125382745.db2.gz UXGSIPCZIPVDHH-IBUXWKBASA-N 0 1 260.381 3.730 20 0 CHADMN CCSc1ccc(CN[C@@H](C)c2cc(C)nn2C)cc1 ZINC000883245785 1125383326 /nfs/dbraw/zinc/38/33/26/1125383326.db2.gz RRLNZWMVXJSLCD-ZDUSSCGKSA-N 0 1 289.448 3.691 20 0 CHADMN CC(C)c1nc([C@H](C)NCCc2ccns2)cs1 ZINC000883247872 1125384197 /nfs/dbraw/zinc/38/41/97/1125384197.db2.gz ZUUYSURFSDVAHJ-JTQLQIEISA-N 0 1 281.450 3.616 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1cnc(C)s1 ZINC000040997793 1125388335 /nfs/dbraw/zinc/38/83/35/1125388335.db2.gz VTCGTPCUSAAJIZ-LLVKDONJSA-N 0 1 276.405 3.619 20 0 CHADMN CC1CCC(n2c3cc(Cl)ccc3nc2CN)CC1 ZINC001168196913 1125388359 /nfs/dbraw/zinc/38/83/59/1125388359.db2.gz ZRDFKRAHVIWLLC-UHFFFAOYSA-N 0 1 277.799 3.900 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H](C)[C@@H](C)C2)c1F ZINC001168201665 1125394042 /nfs/dbraw/zinc/39/40/42/1125394042.db2.gz LHBQRMACJCDDJE-JQWIXIFHSA-N 0 1 253.336 3.751 20 0 CHADMN Cc1cnc([C@H](C)NC[C@@H]2CCC3(CCCC3)O2)s1 ZINC000229305840 1125394993 /nfs/dbraw/zinc/39/49/93/1125394993.db2.gz JXYHBUQMFSKNAK-STQMWFEESA-N 0 1 280.437 3.594 20 0 CHADMN CCOC(=O)c1nc2ccc(-c3ccccc3C)cc2[nH]1 ZINC001239503683 1131352172 /nfs/dbraw/zinc/35/21/72/1131352172.db2.gz DXKZWSJAISNFDJ-UHFFFAOYSA-N 0 1 280.327 3.715 20 0 CHADMN CCOC(=O)c1oc2ccccc2c1CN1C2CCC1CC2 ZINC000532466675 1125396502 /nfs/dbraw/zinc/39/65/02/1125396502.db2.gz JIHNMOWZIUPKTG-UHFFFAOYSA-N 0 1 299.370 3.736 20 0 CHADMN COc1cccc2c1OCCC[C@@H]2N[C@@H](C)c1ccncc1 ZINC000883330552 1125397364 /nfs/dbraw/zinc/39/73/64/1125397364.db2.gz HDFKTFRLYJPMDM-BBRMVZONSA-N 0 1 298.386 3.655 20 0 CHADMN C[C@H]1CCN(Cc2ccc(F)c(Cl)c2)C[C@H]1C ZINC001168202390 1125397423 /nfs/dbraw/zinc/39/74/23/1125397423.db2.gz UDRFPMDOGPFQKZ-WDEREUQCSA-N 0 1 255.764 3.957 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@H]1NCc1scnc1C1CC1 ZINC000342416957 1125402691 /nfs/dbraw/zinc/40/26/91/1125402691.db2.gz HNLYAUXCFDCJLI-BONVTDFDSA-N 0 1 286.400 3.632 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@@H]1NCc1scnc1C1CC1 ZINC000342416963 1125402827 /nfs/dbraw/zinc/40/28/27/1125402827.db2.gz HNLYAUXCFDCJLI-ZUZCIYMTSA-N 0 1 286.400 3.632 20 0 CHADMN CCC[C@H](C)N(C)Cc1nc(C)c2ccccc2n1 ZINC000532480532 1125406783 /nfs/dbraw/zinc/40/67/83/1125406783.db2.gz PBRFCWWNIGVKOE-LBPRGKRZSA-N 0 1 257.381 3.559 20 0 CHADMN CCC1(C)CCN(Cc2nc(C)c3ccccc3n2)CC1 ZINC000532521723 1125408361 /nfs/dbraw/zinc/40/83/61/1125408361.db2.gz IHNNOCFEOZYNSS-UHFFFAOYSA-N 0 1 283.419 3.950 20 0 CHADMN Cc1ccc2c(cccc2Nc2nnc(-c3ccco3)o2)n1 ZINC001212795254 1125414880 /nfs/dbraw/zinc/41/48/80/1125414880.db2.gz XJRQOMKHEIXTON-UHFFFAOYSA-N 0 1 292.298 3.930 20 0 CHADMN CCSCCCNCc1csc(C(C)(C)C)n1 ZINC000310069293 1125415464 /nfs/dbraw/zinc/41/54/64/1125415464.db2.gz KMUQJWDORRHKRT-UHFFFAOYSA-N 0 1 272.483 3.673 20 0 CHADMN Cc1cnc(=S)n(CN2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000132760610 1125421655 /nfs/dbraw/zinc/42/16/55/1125421655.db2.gz XTGOHDVTUZNOKO-INIZCTEOSA-N 0 1 289.448 3.701 20 0 CHADMN CCCC[C@@H]1CCC[C@H]1NC(=O)c1cccc2nc[nH]c21 ZINC000532606480 1125424726 /nfs/dbraw/zinc/42/47/26/1125424726.db2.gz LJRRIHUEWHNTCI-TZMCWYRMSA-N 0 1 285.391 3.652 20 0 CHADMN FC(F)(F)c1cccc(-c2ccc3[nH]nnc3c2)c1 ZINC001239515906 1131357810 /nfs/dbraw/zinc/35/78/10/1131357810.db2.gz KPMRNAWNXFNVAM-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN FC(F)(F)c1cccc(-c2ccc3nn[nH]c3c2)c1 ZINC001239515906 1131357816 /nfs/dbraw/zinc/35/78/16/1131357816.db2.gz KPMRNAWNXFNVAM-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccc(Cl)cc1)c1cccnc1 ZINC000348244505 1125429291 /nfs/dbraw/zinc/42/92/91/1125429291.db2.gz NUWPKFFKWXWZRJ-WBMJQRKESA-N 0 1 290.794 3.509 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cccc3[nH]ccc31)CO2 ZINC000123516391 1125431209 /nfs/dbraw/zinc/43/12/09/1125431209.db2.gz OWHMMVKTIVBCAX-QGZVFWFLSA-N 0 1 278.355 3.700 20 0 CHADMN C[C@H](N(C)C(=O)c1cc(C2CCCCC2)[nH]n1)C1(C)CC1 ZINC000123739135 1125432815 /nfs/dbraw/zinc/43/28/15/1125432815.db2.gz QCPBPKXIBOKPFY-LBPRGKRZSA-N 0 1 289.423 3.718 20 0 CHADMN COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C)o2)c1 ZINC000124224239 1125435209 /nfs/dbraw/zinc/43/52/09/1125435209.db2.gz BTSSJFIEZCQZIC-KRWDZBQOSA-N 0 1 271.360 3.934 20 0 CHADMN CC(C)C[C@H](NCc1cn2cccnc2n1)c1ccccc1 ZINC000124435689 1125439469 /nfs/dbraw/zinc/43/94/69/1125439469.db2.gz UBHHKMSTAHZJSS-KRWDZBQOSA-N 0 1 294.402 3.606 20 0 CHADMN Cc1oc(-c2cccs2)nc1CNCC[C@H](C)F ZINC001202602649 1125440321 /nfs/dbraw/zinc/44/03/21/1125440321.db2.gz JGNPLZRMFJMQPV-VIFPVBQESA-N 0 1 268.357 3.549 20 0 CHADMN CCCCCN(CC(=O)c1cc(C)[nH]c1C)C(C)C ZINC000042558285 1125442072 /nfs/dbraw/zinc/44/20/72/1125442072.db2.gz UYRUGWFVNLNEJV-UHFFFAOYSA-N 0 1 264.413 3.715 20 0 CHADMN c1ccc2nc(CSc3nc(C4CC4)n[nH]3)ccc2c1 ZINC000124711445 1125442224 /nfs/dbraw/zinc/44/22/24/1125442224.db2.gz CZVDHHSOXGXHBG-UHFFFAOYSA-N 0 1 282.372 3.523 20 0 CHADMN c1ccc2nc(CSc3n[nH]c(C4CC4)n3)ccc2c1 ZINC000124711445 1125442226 /nfs/dbraw/zinc/44/22/26/1125442226.db2.gz CZVDHHSOXGXHBG-UHFFFAOYSA-N 0 1 282.372 3.523 20 0 CHADMN CC(C)n1c(CNCCC(C)(F)F)nc2ccccc21 ZINC001202595222 1125442625 /nfs/dbraw/zinc/44/26/25/1125442625.db2.gz OYZUPGWEBGTLEZ-UHFFFAOYSA-N 0 1 281.350 3.752 20 0 CHADMN Cc1cc(N(C)C[C@H]2CCCOC2)c2cc(F)ccc2n1 ZINC000125169146 1125444960 /nfs/dbraw/zinc/44/49/60/1125444960.db2.gz WCGRQVSPKZWEAR-CYBMUJFWSA-N 0 1 288.366 3.545 20 0 CHADMN CN(Cc1ccn(C)c1)Cc1ccccc1OC(F)(F)F ZINC000125461040 1125448799 /nfs/dbraw/zinc/44/87/99/1125448799.db2.gz ZFQDHTLLUZZTGZ-UHFFFAOYSA-N 0 1 298.308 3.556 20 0 CHADMN CCC[C@@H]1CCCN([C@H](C)C(=O)c2c[nH]c3ncccc23)C1 ZINC000348269876 1125456723 /nfs/dbraw/zinc/45/67/23/1125456723.db2.gz WNDOFFWFHCWVNW-ZIAGYGMSSA-N 0 1 299.418 3.646 20 0 CHADMN CCCN(Cc1nccnc1C)[C@H](C)c1ccccc1OC ZINC000621712003 1129184771 /nfs/dbraw/zinc/18/47/71/1129184771.db2.gz OWZHLUUOUGOTIY-OAHLLOKOSA-N 0 1 299.418 3.767 20 0 CHADMN Cc1nccnc1CN(Cc1ccc(F)cc1)C(C)(C)C ZINC000621714043 1129184778 /nfs/dbraw/zinc/18/47/78/1129184778.db2.gz FVQNLWIEDWRNFV-UHFFFAOYSA-N 0 1 287.382 3.725 20 0 CHADMN CSc1cccc(NC(=O)CN(C)CC(C)(C)C)c1C ZINC000635768080 1129190363 /nfs/dbraw/zinc/19/03/63/1129190363.db2.gz AWGYEFLKKDOULO-UHFFFAOYSA-N 0 1 294.464 3.633 20 0 CHADMN Fc1cccc(CN2CC(Cc3ccsc3)C2)c1 ZINC000621741190 1129190489 /nfs/dbraw/zinc/19/04/89/1129190489.db2.gz GYNBEAQQIIRZMT-UHFFFAOYSA-N 0 1 261.365 3.562 20 0 CHADMN CSc1ccc(C)c(NC(=O)CN(C)CC(C)(C)C)c1 ZINC000635768930 1129190545 /nfs/dbraw/zinc/19/05/45/1129190545.db2.gz AMISBGXFYLCJBH-UHFFFAOYSA-N 0 1 294.464 3.633 20 0 CHADMN CCCn1ccc2cc(NC(=O)c3[nH]c(C)nc3C)ccc21 ZINC000621801681 1129197419 /nfs/dbraw/zinc/19/74/19/1129197419.db2.gz RPAPALZQFCOHSG-UHFFFAOYSA-N 0 1 296.374 3.644 20 0 CHADMN Cc1[nH]ncc1CN(C)C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000636076654 1129197647 /nfs/dbraw/zinc/19/76/47/1129197647.db2.gz FWRKQVBGBTXLDU-GXTWGEPZSA-N 0 1 291.439 3.529 20 0 CHADMN Cc1[nH]ncc1CN(C)C(=O)c1csc2cc(C)ccc12 ZINC000636069593 1129197673 /nfs/dbraw/zinc/19/76/73/1129197673.db2.gz UQVQREYAUZTSJL-UHFFFAOYSA-N 0 1 299.399 3.513 20 0 CHADMN CCCn1c(CNCCC(C)(F)F)nc2ccccc21 ZINC000294256428 1129214691 /nfs/dbraw/zinc/21/46/91/1129214691.db2.gz QLZRZCVCOLNUHL-UHFFFAOYSA-N 0 1 281.350 3.581 20 0 CHADMN CC(C)C[C@@H](N[C@H]1CCn2ccnc21)c1ccccc1 ZINC000294274432 1129215196 /nfs/dbraw/zinc/21/51/96/1129215196.db2.gz YBPSNYSEUVBBBG-JKSUJKDBSA-N 0 1 269.392 3.705 20 0 CHADMN CCCCN(CC(=O)OCC)[C@H](C)CC(C)(C)SC ZINC001258343689 1129220744 /nfs/dbraw/zinc/22/07/44/1129220744.db2.gz DLPRTPPLFJHBIW-CYBMUJFWSA-N 0 1 289.485 3.572 20 0 CHADMN C[C@@H]1CCN(Cc2sc3ccccc3c2Cl)C[C@H]1O ZINC000299901669 1129231748 /nfs/dbraw/zinc/23/17/48/1129231748.db2.gz CXMUHVYNQFDVNX-ZYHUDNBSSA-N 0 1 295.835 3.757 20 0 CHADMN Cc1ncc([C@@H](C)N(Cc2cccc(F)c2)C2CC2)c(C)n1 ZINC000637900266 1129235378 /nfs/dbraw/zinc/23/53/78/1129235378.db2.gz UHXVLLARPUIYGV-CYBMUJFWSA-N 0 1 299.393 3.958 20 0 CHADMN COC(=O)c1sccc1CN1CCCC(C)(C)CC1 ZINC000336901003 1129235425 /nfs/dbraw/zinc/23/54/25/1129235425.db2.gz SHNWYQUIJRZIME-UHFFFAOYSA-N 0 1 281.421 3.547 20 0 CHADMN COc1cncc(CN2CCC[C@H]2c2ccsc2)c1C ZINC000637909827 1129236020 /nfs/dbraw/zinc/23/60/20/1129236020.db2.gz LYSPAIBFUWHVIG-HNNXBMFYSA-N 0 1 288.416 3.797 20 0 CHADMN CCN(Cc1ccccc1C)[C@H](c1nccn1C)C1CC1 ZINC000637910406 1129236339 /nfs/dbraw/zinc/23/63/39/1129236339.db2.gz MZTXSMNSAWZHBT-KRWDZBQOSA-N 0 1 283.419 3.702 20 0 CHADMN CC(C)COC1CCN(Cc2ccc(C(F)F)nc2)CC1 ZINC000637958404 1129238196 /nfs/dbraw/zinc/23/81/96/1129238196.db2.gz RTGOCXRYGWPKAH-UHFFFAOYSA-N 0 1 298.377 3.656 20 0 CHADMN Cc1ncc([C@@H](C)N(C)[C@@H](C)c2cccc(O)c2)c(C)n1 ZINC000638064625 1129241572 /nfs/dbraw/zinc/24/15/72/1129241572.db2.gz MHEQRBPHXZRLMJ-QWHCGFSZSA-N 0 1 285.391 3.553 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1ccc(C(F)F)nc1 ZINC000638117834 1129243301 /nfs/dbraw/zinc/24/33/01/1129243301.db2.gz YFOZRECGOKQRSD-LBPRGKRZSA-N 0 1 288.341 3.966 20 0 CHADMN Cc1ccc(NC(=O)c2cn[nH]c2C(C)C)c2cccnc12 ZINC000622292564 1129245965 /nfs/dbraw/zinc/24/59/65/1129245965.db2.gz AOERSCJFZWCIFV-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN Cc1csc(CNC[C@H](OC(C)C)c2ccccc2)n1 ZINC000638341848 1129255078 /nfs/dbraw/zinc/25/50/78/1129255078.db2.gz CLEUXUDDDOFATM-HNNXBMFYSA-N 0 1 290.432 3.707 20 0 CHADMN COc1ncc(CN[C@@H](c2ccc(C)cc2)C2CC2)s1 ZINC000638347425 1129255281 /nfs/dbraw/zinc/25/52/81/1129255281.db2.gz QXWNKQJBKGDGCH-HNNXBMFYSA-N 0 1 288.416 3.701 20 0 CHADMN COc1ncc(CN[C@H](c2ccc(C)cc2)C2CC2)s1 ZINC000638347426 1129255607 /nfs/dbraw/zinc/25/56/07/1129255607.db2.gz QXWNKQJBKGDGCH-OAHLLOKOSA-N 0 1 288.416 3.701 20 0 CHADMN Cc1ccc(C)c(CNCc2cnc(Cl)s2)c1 ZINC000718199717 1129257687 /nfs/dbraw/zinc/25/76/87/1129257687.db2.gz IFXGASMYPWFRGT-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN CC[C@H](C)[C@H](CNCc1coc(-c2cccs2)n1)OC ZINC000638431679 1129258644 /nfs/dbraw/zinc/25/86/44/1129258644.db2.gz LMQOPRBFDDOZKW-AAEUAGOBSA-N 0 1 294.420 3.554 20 0 CHADMN Clc1ccc(C2(NCc3ccns3)CCC2)cc1 ZINC000638455926 1129259473 /nfs/dbraw/zinc/25/94/73/1129259473.db2.gz FZIQTHDJIYUWCL-UHFFFAOYSA-N 0 1 278.808 3.966 20 0 CHADMN Cn1ccnc1[C@@H](N[C@H]1CCCCc2ccccc21)C1CC1 ZINC000638475184 1129260296 /nfs/dbraw/zinc/26/02/96/1129260296.db2.gz VQCNTWHLNAXGDB-ROUUACIJSA-N 0 1 295.430 3.929 20 0 CHADMN CO[C@H]1CC=C(Nc2cnc(C3CC3)s2)CC1 ZINC001212876837 1129265220 /nfs/dbraw/zinc/26/52/20/1129265220.db2.gz MBAZISBKKBYFRT-NSHDSACASA-N 0 1 250.367 3.515 20 0 CHADMN CCOC(CN(C)Cc1csc2ccccc12)OCC ZINC000184946055 1129265724 /nfs/dbraw/zinc/26/57/24/1129265724.db2.gz HNLHRXMDYZEGBB-UHFFFAOYSA-N 0 1 293.432 3.732 20 0 CHADMN C/C=C(/C)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000081728390 1129266436 /nfs/dbraw/zinc/26/64/36/1129266436.db2.gz GEAGRELLHATDIK-KMKOMSMNSA-N 0 1 269.348 3.735 20 0 CHADMN Cc1ccsc1[C@H](C)NCc1cc(C#N)ccc1F ZINC000090117818 1129268823 /nfs/dbraw/zinc/26/88/23/1129268823.db2.gz PQSNWWCRMBUOIL-NSHDSACASA-N 0 1 274.364 3.918 20 0 CHADMN C[C@@H](NCc1ccns1)c1cccc(N2CCCC2)c1 ZINC000638764760 1129269647 /nfs/dbraw/zinc/26/96/47/1129269647.db2.gz GZLZETUVIUTVPC-CYBMUJFWSA-N 0 1 287.432 3.594 20 0 CHADMN CCC(C)(C)c1ccc(CNCc2snnc2C)cc1 ZINC000638771707 1129270400 /nfs/dbraw/zinc/27/04/00/1129270400.db2.gz HTRRVPPMYWUXSU-UHFFFAOYSA-N 0 1 289.448 3.824 20 0 CHADMN CC[C@@](C)(CN[C@H](c1cccc(C)c1)c1ccccn1)OC ZINC000638813706 1129271276 /nfs/dbraw/zinc/27/12/76/1129271276.db2.gz KQDQYPZQIXWHEW-MOPGFXCFSA-N 0 1 298.430 3.884 20 0 CHADMN CCc1nc([C@@H](C)NCc2ccc(F)c3ccccc23)n[nH]1 ZINC000638822985 1129272063 /nfs/dbraw/zinc/27/20/63/1129272063.db2.gz NHTFQSVSKSVQBY-LLVKDONJSA-N 0 1 298.365 3.510 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1N[C@H](c1nccn1C)C1CC1 ZINC000638821855 1129272129 /nfs/dbraw/zinc/27/21/29/1129272129.db2.gz BSHFPYROHSSXSW-XWIAVFTESA-N 0 1 295.430 3.784 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@@H](c3cccc(C)c3)C2)s1 ZINC000282645992 1129275245 /nfs/dbraw/zinc/27/52/45/1129275245.db2.gz CARPGCJPZDNMEF-IUODEOHRSA-N 0 1 287.432 3.705 20 0 CHADMN C[C@@H](c1ccncc1)N(C)[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000639041060 1129277645 /nfs/dbraw/zinc/27/76/45/1129277645.db2.gz QLOULHATQFEMAG-XJKSGUPXSA-N 0 1 299.422 3.514 20 0 CHADMN CN(Cc1ccccn1)Cc1ccccc1CC(F)(F)F ZINC000639041701 1129277724 /nfs/dbraw/zinc/27/77/24/1129277724.db2.gz OTFXEVZSPJISCO-UHFFFAOYSA-N 0 1 294.320 3.818 20 0 CHADMN Cc1scc(CN(C)[C@H](C)c2cccnc2)c1C ZINC000639040119 1129278128 /nfs/dbraw/zinc/27/81/28/1129278128.db2.gz BHJVOSZCNOIOSS-GFCCVEGCSA-N 0 1 260.406 3.953 20 0 CHADMN Cc1cc(F)ccc1CN(C)[C@H](C)c1cnc(C)nc1C ZINC000639107210 1129282249 /nfs/dbraw/zinc/28/22/49/1129282249.db2.gz YZKYTUTWOOUOTO-CYBMUJFWSA-N 0 1 287.382 3.734 20 0 CHADMN Cc1cscc1CNCc1nc2ccccc2nc1C ZINC000639110680 1129283044 /nfs/dbraw/zinc/28/30/44/1129283044.db2.gz PBAOXIBKOLKMCN-UHFFFAOYSA-N 0 1 283.400 3.598 20 0 CHADMN CO[C@H]1CC=C(Nc2csc(-c3ccncc3)n2)CC1 ZINC001212878745 1129283698 /nfs/dbraw/zinc/28/36/98/1129283698.db2.gz VFZVACUVAZHILT-ZDUSSCGKSA-N 0 1 287.388 3.700 20 0 CHADMN FC(F)C1(NC[C@@H]2CCN(c3ccccc3)C2)CCCC1 ZINC000639186611 1129290400 /nfs/dbraw/zinc/29/04/00/1129290400.db2.gz QOUWQYXCCREYRO-AWEZNQCLSA-N 0 1 294.389 3.680 20 0 CHADMN COc1cc(CN[C@H]2CCCc3ccc(C)cc32)sn1 ZINC000639186734 1129290568 /nfs/dbraw/zinc/29/05/68/1129290568.db2.gz DZAJSPQOHGCRCF-HNNXBMFYSA-N 0 1 288.416 3.627 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccns1)CCC2 ZINC000639187229 1129290643 /nfs/dbraw/zinc/29/06/43/1129290643.db2.gz JJJHCPZSBXTDHF-HNNXBMFYSA-N 0 1 258.390 3.619 20 0 CHADMN COc1cc(F)c([C@@H](C)NCc2ccsc2)cc1OC ZINC000734004530 1129290622 /nfs/dbraw/zinc/29/06/22/1129290622.db2.gz NKIFDTNOUCPTGV-SNVBAGLBSA-N 0 1 295.379 3.755 20 0 CHADMN c1c(CNC[C@H]2CC[C@H](c3ccccc3)O2)onc1C1CC1 ZINC000639192258 1129291799 /nfs/dbraw/zinc/29/17/99/1129291799.db2.gz LVWDCRLHRYHYJG-CRAIPNDOSA-N 0 1 298.386 3.562 20 0 CHADMN CCc1ncc(CN[C@@H](CC)c2ccccc2OC)s1 ZINC000037924270 1129296082 /nfs/dbraw/zinc/29/60/82/1129296082.db2.gz PQYYCCYQWQRTST-AWEZNQCLSA-N 0 1 290.432 3.955 20 0 CHADMN Cc1ccc(CN2CCC(OC3CCC3)CC2)c(F)c1 ZINC000639272499 1129299009 /nfs/dbraw/zinc/29/90/09/1129299009.db2.gz JYBRBTNKUCNRAP-UHFFFAOYSA-N 0 1 277.383 3.668 20 0 CHADMN FC(F)CC1CN(Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000639278951 1129299036 /nfs/dbraw/zinc/29/90/36/1129299036.db2.gz XQTGCUACCIMLDT-UHFFFAOYSA-N 0 1 293.279 3.878 20 0 CHADMN Cc1ccnc(N[C@@H](C)[C@H]2CC2(F)F)c1C1CC1 ZINC000639310821 1129301478 /nfs/dbraw/zinc/30/14/78/1129301478.db2.gz HTFYCBLXYSDNDM-GXSJLCMTSA-N 0 1 252.308 3.723 20 0 CHADMN Cc1ccnc(N[C@H]2CCOC(C)(C)C2)c1C1CC1 ZINC000639311854 1129301844 /nfs/dbraw/zinc/30/18/44/1129301844.db2.gz QGNOYTQEHOFDDP-ZDUSSCGKSA-N 0 1 260.381 3.637 20 0 CHADMN C[C@H](NC(=O)CCC1CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000734322764 1129304302 /nfs/dbraw/zinc/30/43/02/1129304302.db2.gz BXBJIZRIJLBABQ-VIFPVBQESA-N 0 1 291.782 3.584 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(F)F)nc2)C[C@@H](C)C1(F)F ZINC000639346774 1129304289 /nfs/dbraw/zinc/30/42/89/1129304289.db2.gz SFLIQFOBTDEBHZ-NXEZZACHSA-N 0 1 290.304 3.742 20 0 CHADMN Cc1cccc(CN2CC[C@H](O)C[C@H]2c2ccccc2)c1F ZINC000639366549 1129307717 /nfs/dbraw/zinc/30/77/17/1129307717.db2.gz LYRDSCYILQFDDT-ROUUACIJSA-N 0 1 299.389 3.832 20 0 CHADMN Cc1cccc(CN2CC[C@@H](O)C[C@@H]2c2ccccc2)c1F ZINC000639366548 1129307833 /nfs/dbraw/zinc/30/78/33/1129307833.db2.gz LYRDSCYILQFDDT-QZTJIDSGSA-N 0 1 299.389 3.832 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1nc(C2CCC2)no1)C1CC1 ZINC000639476963 1129318584 /nfs/dbraw/zinc/31/85/84/1129318584.db2.gz MRXVKVVCZGCONX-NWDGAFQWSA-N 0 1 277.412 3.736 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1c(C)cc(C)nc1C ZINC000639551790 1129322763 /nfs/dbraw/zinc/32/27/63/1129322763.db2.gz OQDBZZYTZLMCGQ-SFHVURJKSA-N 0 1 283.419 3.985 20 0 CHADMN CC(=O)CN[C@H](c1oc2ccccc2c1C)C(C)C ZINC000639564482 1129323620 /nfs/dbraw/zinc/32/36/20/1129323620.db2.gz GUCZPPIAPZREJJ-HNNXBMFYSA-N 0 1 259.349 3.617 20 0 CHADMN CCCN(CC1CCCCC1)C(=O)c1cc(C(F)F)[nH]n1 ZINC000639569409 1129323821 /nfs/dbraw/zinc/32/38/21/1129323821.db2.gz ULGFTRQTFWEGSQ-UHFFFAOYSA-N 0 1 299.365 3.780 20 0 CHADMN CC(C)=CCCNCc1nc(C)c(Br)s1 ZINC000719317642 1129326734 /nfs/dbraw/zinc/32/67/34/1129326734.db2.gz NPTZLCPFVWYREY-UHFFFAOYSA-N 0 1 289.242 3.660 20 0 CHADMN CCC(F)(F)CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000639640355 1129327880 /nfs/dbraw/zinc/32/78/80/1129327880.db2.gz COEPYILHMLNRNO-PMPSAXMXSA-N 0 1 295.373 3.536 20 0 CHADMN Clc1cncc(C[N@H+]2CCC[C@H](c3cccnc3)C2)c1 ZINC000639695283 1129329975 /nfs/dbraw/zinc/32/99/75/1129329975.db2.gz TXCDMSYCOPRVTP-HNNXBMFYSA-N 0 1 287.794 3.510 20 0 CHADMN Clc1cncc(CN2CCC[C@H](c3cccnc3)C2)c1 ZINC000639695283 1129329979 /nfs/dbraw/zinc/32/99/79/1129329979.db2.gz TXCDMSYCOPRVTP-HNNXBMFYSA-N 0 1 287.794 3.510 20 0 CHADMN Fc1cccc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)c1F ZINC000639697225 1129330404 /nfs/dbraw/zinc/33/04/04/1129330404.db2.gz DERWCWWUHDYSOQ-CQSZACIVSA-N 0 1 288.341 3.739 20 0 CHADMN Fc1cccc(CN2CCC[C@@H](c3cccnc3)C2)c1F ZINC000639697225 1129330408 /nfs/dbraw/zinc/33/04/08/1129330408.db2.gz DERWCWWUHDYSOQ-CQSZACIVSA-N 0 1 288.341 3.739 20 0 CHADMN COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639777163 1129332691 /nfs/dbraw/zinc/33/26/91/1129332691.db2.gz TUFFZVUMGDHYDQ-KRWDZBQOSA-N 0 1 299.418 3.879 20 0 CHADMN COc1ccc(C(C)C)cc1CN1CCC[C@H]1c1cn[nH]c1 ZINC000639777163 1129332695 /nfs/dbraw/zinc/33/26/95/1129332695.db2.gz TUFFZVUMGDHYDQ-KRWDZBQOSA-N 0 1 299.418 3.879 20 0 CHADMN FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000639779716 1129332896 /nfs/dbraw/zinc/33/28/96/1129332896.db2.gz BLNBTTGMXMBFAZ-CQSZACIVSA-N 0 1 295.308 3.766 20 0 CHADMN FC(F)(F)c1ccc(CN2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000639779716 1129332899 /nfs/dbraw/zinc/33/28/99/1129332899.db2.gz BLNBTTGMXMBFAZ-CQSZACIVSA-N 0 1 295.308 3.766 20 0 CHADMN Fc1ccc(C2CC(NCc3ncc(Cl)s3)C2)cc1 ZINC000719430219 1129333301 /nfs/dbraw/zinc/33/33/01/1129333301.db2.gz MARZCHLMSMXGQN-UHFFFAOYSA-N 0 1 296.798 3.971 20 0 CHADMN COc1ccccc1[C@@H](NC1CCCC1)c1ccccn1 ZINC000090913581 1129335729 /nfs/dbraw/zinc/33/57/29/1129335729.db2.gz KXPJFAHOTPJZMV-GOSISDBHSA-N 0 1 282.387 3.712 20 0 CHADMN C[C@H](N)c1nc(-c2nc(C3CCC(C)CC3)no2)cs1 ZINC000090938882 1129335798 /nfs/dbraw/zinc/33/57/98/1129335798.db2.gz ZRTIBFQURGDRJI-KYHHOPLUSA-N 0 1 292.408 3.507 20 0 CHADMN C[C@@H](N)c1nc(-c2nc([C@H]3CCC[C@@H](C)C3)no2)cs1 ZINC000090938864 1129336362 /nfs/dbraw/zinc/33/63/62/1129336362.db2.gz YGLKEVHTFFOHLY-BBBLOLIVSA-N 0 1 292.408 3.507 20 0 CHADMN O=C(Nc1cccc(-c2cn[nH]n2)c1)C1CCCCCCC1 ZINC000735271285 1129337188 /nfs/dbraw/zinc/33/71/88/1129337188.db2.gz XCIUAZNYLAADIC-UHFFFAOYSA-N 0 1 298.390 3.771 20 0 CHADMN Cc1ncsc1CCN1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926082 1129340371 /nfs/dbraw/zinc/34/03/71/1129340371.db2.gz HHVLRGUXSPJHRN-AWEZNQCLSA-N 0 1 276.405 3.670 20 0 CHADMN CC[C@](C)(NCc1cc(C)nc(C)n1)c1ccc(F)cc1 ZINC000639928994 1129340846 /nfs/dbraw/zinc/34/08/46/1129340846.db2.gz UBPCJSBTCYYXJU-KRWDZBQOSA-N 0 1 287.382 3.648 20 0 CHADMN CCc1nocc1CN[C@](C)(CC)c1ccc(F)cc1 ZINC000639926748 1129341167 /nfs/dbraw/zinc/34/11/67/1129341167.db2.gz BDRVKCGDTRRSEG-MRXNPFEDSA-N 0 1 276.355 3.791 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC3(CCSCC3)CC2)o1 ZINC000639982489 1129342352 /nfs/dbraw/zinc/34/23/52/1129342352.db2.gz COMPSMRAGKJFOH-CYBMUJFWSA-N 0 1 280.437 3.653 20 0 CHADMN Cc1cccc(CNCc2nc3c(s2)CCCC3)c1C ZINC000719528569 1129342627 /nfs/dbraw/zinc/34/26/27/1129342627.db2.gz VDZLWNQKLJMDAC-UHFFFAOYSA-N 0 1 286.444 3.929 20 0 CHADMN Cc1cccc(C)c1CNCc1cc(C#N)ccc1F ZINC000091061271 1129343173 /nfs/dbraw/zinc/34/31/73/1129343173.db2.gz ZYSYSFXKBAVOTC-UHFFFAOYSA-N 0 1 268.335 3.604 20 0 CHADMN Fc1ccc([C@@H]([NH2+]Cc2c[nH]cn2)C2CCCCC2)cc1 ZINC000640014467 1129345167 /nfs/dbraw/zinc/34/51/67/1129345167.db2.gz XQEKAFVAZMBHRF-KRWDZBQOSA-N 0 1 287.382 3.960 20 0 CHADMN CC(C)(C)OCCCN[C@H](CF)c1ccc(F)cc1 ZINC000640153366 1129350876 /nfs/dbraw/zinc/35/08/76/1129350876.db2.gz ONGXYUZDUKBJAA-CQSZACIVSA-N 0 1 271.351 3.631 20 0 CHADMN Fc1cc2c(cc1F)CN(CCCC1CC1)CC2 ZINC001648168275 1129353994 /nfs/dbraw/zinc/35/39/94/1129353994.db2.gz CYSGATGXCDFVMW-UHFFFAOYSA-N 0 1 251.320 3.513 20 0 CHADMN CCc1n[nH]cc1-c1nc(-c2ccc(C)c(Cl)c2)no1 ZINC001212885505 1129359941 /nfs/dbraw/zinc/35/99/41/1129359941.db2.gz KHXXSKYQWCARAF-UHFFFAOYSA-N 0 1 288.738 3.651 20 0 CHADMN COc1ccc(C(F)(F)F)cc1-c1cc(N)c(C)cn1 ZINC001240823029 1129364860 /nfs/dbraw/zinc/36/48/60/1129364860.db2.gz GEHOJHCDTRSWRT-UHFFFAOYSA-N 0 1 282.265 3.667 20 0 CHADMN CCOC(=O)c1cc2[nH]c(-c3cccc(F)c3)ccc-2n1 ZINC001239532541 1131369335 /nfs/dbraw/zinc/36/93/35/1131369335.db2.gz PSMHWMDSNVWNJQ-UHFFFAOYSA-N 0 1 284.290 3.546 20 0 CHADMN C[C@@H]1CCC[C@@H](CCn2cc([C@@H](N)c3ccccc3)nn2)C1 ZINC000641140355 1129374712 /nfs/dbraw/zinc/37/47/12/1129374712.db2.gz AEJIJKAJCKIQEH-VKJFTORMSA-N 0 1 298.434 3.543 20 0 CHADMN Cc1cc(C)cc(CNCc2ccc(Br)o2)c1 ZINC000178900750 1129383277 /nfs/dbraw/zinc/38/32/77/1129383277.db2.gz KHBAJBORLFAGHC-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN CCC[C@H](NCc1ccncc1N)c1ccc(F)cc1F ZINC000641737299 1129390202 /nfs/dbraw/zinc/39/02/02/1129390202.db2.gz UPICLZNDXCRWSY-INIZCTEOSA-N 0 1 291.345 3.573 20 0 CHADMN c1ccc(C23CC(NCc4nc5ccccc5o4)(C2)C3)cc1 ZINC000641789751 1129392187 /nfs/dbraw/zinc/39/21/87/1129392187.db2.gz BFWVSBAKFMVGJV-UHFFFAOYSA-N 0 1 290.366 3.792 20 0 CHADMN CCc1nc(CNC23CC(c4ccccc4)(C2)C3)cs1 ZINC000641789883 1129392487 /nfs/dbraw/zinc/39/24/87/1129392487.db2.gz CWICHFUEHVHRJJ-UHFFFAOYSA-N 0 1 284.428 3.669 20 0 CHADMN CC[C@H](NC[C@@H](OC)C(F)(F)F)c1ccc(F)cc1F ZINC000738424155 1129394130 /nfs/dbraw/zinc/39/41/30/1129394130.db2.gz JBJPWJFRHLFYTN-NWDGAFQWSA-N 0 1 297.267 3.583 20 0 CHADMN CCCCC[C@H](NC(=O)NCc1cc(C)[nH]n1)C(C)(C)C ZINC000738484352 1129394742 /nfs/dbraw/zinc/39/47/42/1129394742.db2.gz LXLDRPUTFBOULH-AWEZNQCLSA-N 0 1 294.443 3.512 20 0 CHADMN COc1cccc(F)c1-c1ccc2[nH]c(C)nc2c1 ZINC001241010597 1129403483 /nfs/dbraw/zinc/40/34/83/1129403483.db2.gz CBPXQCCPDFCJLY-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN COc1c(C)cnc(CNCc2c(C)cc(C)cc2C)c1C ZINC000065276311 1129403541 /nfs/dbraw/zinc/40/35/41/1129403541.db2.gz LZAGYDFKYHGREC-UHFFFAOYSA-N 0 1 298.430 3.922 20 0 CHADMN COC(=O)c1cc2[nH]cnc2c(NCCC2=CCCCC2)c1 ZINC001168771679 1129407938 /nfs/dbraw/zinc/40/79/38/1129407938.db2.gz FYZLQDBEEVOPIZ-UHFFFAOYSA-N 0 1 299.374 3.652 20 0 CHADMN Cc1ccc(-c2nnc(CN(C)[C@@H](C)C(C)(C)C)o2)cc1 ZINC000642188059 1129408703 /nfs/dbraw/zinc/40/87/03/1129408703.db2.gz XZRODGPJXHPMLH-ZDUSSCGKSA-N 0 1 287.407 3.911 20 0 CHADMN COc1cc(-c2nccc3c2ccn3C)ccc1C ZINC001241032598 1129412669 /nfs/dbraw/zinc/41/26/69/1129412669.db2.gz NKMXWMNAICTJDF-UHFFFAOYSA-N 0 1 252.317 3.557 20 0 CHADMN CC[C@H]1CCCN([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000642330226 1129414029 /nfs/dbraw/zinc/41/40/29/1129414029.db2.gz BBVZPBTYAQDDCG-RYUDHWBXSA-N 0 1 291.420 3.981 20 0 CHADMN C[C@H](Cc1cccs1)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000642516140 1129418823 /nfs/dbraw/zinc/41/88/23/1129418823.db2.gz ONRUDCQRESFVQO-GHMZBOCLSA-N 0 1 293.436 3.710 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCCN(C)Cc1ccsc1 ZINC000642524823 1129419250 /nfs/dbraw/zinc/41/92/50/1129419250.db2.gz XMZHOPDFWZPPMN-HIFRSBDPSA-N 0 1 267.438 3.775 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCCN(C)Cc1ccc(F)c(F)c1 ZINC000642526253 1129419897 /nfs/dbraw/zinc/41/98/97/1129419897.db2.gz LHTHRZZFGJXRID-CXAGYDPISA-N 0 1 297.389 3.992 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@H](CCO)c2cccs2)o1 ZINC000740900372 1129423473 /nfs/dbraw/zinc/42/34/73/1129423473.db2.gz OPJIPGJHESPYCF-KWCYVHTRSA-N 0 1 291.416 3.678 20 0 CHADMN CC1(C)CCN1Cc1ccc(CSC(F)F)o1 ZINC000093460426 1129423647 /nfs/dbraw/zinc/42/36/47/1129423647.db2.gz PQAHPZJGERAQMQ-UHFFFAOYSA-N 0 1 261.337 3.720 20 0 CHADMN Cc1ccc(COC(=O)[C@H](C(C)C)N2CCCCC2)cc1 ZINC000741010459 1129425705 /nfs/dbraw/zinc/42/57/05/1129425705.db2.gz GBKKBYMLLPWIEH-KRWDZBQOSA-N 0 1 289.419 3.549 20 0 CHADMN C[C@H](C(=O)OC/C=C/c1ccccc1)N1CCCCCC1 ZINC000741033303 1129426636 /nfs/dbraw/zinc/42/66/36/1129426636.db2.gz PDVQKHFVJPSWCB-ONOODXEBSA-N 0 1 287.403 3.508 20 0 CHADMN Cc1cccc(C)c1COC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000741016362 1129426907 /nfs/dbraw/zinc/42/69/07/1129426907.db2.gz HVHWRYBFBKNMEI-OAGGEKHMSA-N 0 1 289.419 3.608 20 0 CHADMN C[C@H](C(=O)O[C@@H](C)c1ccc(F)cc1)N1CCCCCC1 ZINC000741030500 1129426998 /nfs/dbraw/zinc/42/69/98/1129426998.db2.gz WXDOUEJMCNMSJH-KGLIPLIRSA-N 0 1 293.382 3.694 20 0 CHADMN C[C@H](C(=O)O[C@@H](C)c1ccccc1F)N1CCCCCC1 ZINC000741028281 1129427487 /nfs/dbraw/zinc/42/74/87/1129427487.db2.gz DZKMWSHPGMFUOX-KGLIPLIRSA-N 0 1 293.382 3.694 20 0 CHADMN CN(C(=O)c1cc(F)cc(F)c1O)C1CCCCCCC1 ZINC001136573117 1131374063 /nfs/dbraw/zinc/37/40/63/1131374063.db2.gz BLBWRPVQTKJIBS-UHFFFAOYSA-N 0 1 297.345 3.855 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@H]1CC12CC2 ZINC000643333287 1129439616 /nfs/dbraw/zinc/43/96/16/1129439616.db2.gz QPUZEAVIQOAXHP-GFCCVEGCSA-N 0 1 281.359 3.569 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000180008726 1129443903 /nfs/dbraw/zinc/44/39/03/1129443903.db2.gz WTXTXKJIBYDEFO-CMPLNLGQSA-N 0 1 269.348 3.876 20 0 CHADMN CC(C)(C)C(=N)Nc1ccc(COC2CCC2)cn1 ZINC001155181292 1129444793 /nfs/dbraw/zinc/44/47/93/1129444793.db2.gz DEBOXKQJTTWCSW-UHFFFAOYSA-N 0 1 261.369 3.586 20 0 CHADMN Cc1cc(CNc2nccn2-c2ccccc2)cnc1Cl ZINC000795805306 1129449743 /nfs/dbraw/zinc/44/97/43/1129449743.db2.gz GRXIAPDKHKOXKU-UHFFFAOYSA-N 0 1 298.777 3.841 20 0 CHADMN CCOc1cccc(-c2ccc3nc(C)[nH]c3c2)c1 ZINC001241116770 1129455338 /nfs/dbraw/zinc/45/53/38/1129455338.db2.gz OSHYQWURULDHDD-UHFFFAOYSA-N 0 1 252.317 3.937 20 0 CHADMN Cc1nccc(N2CCC(C3CC3)CC2)c1Cl ZINC000644136520 1129460184 /nfs/dbraw/zinc/46/01/84/1129460184.db2.gz NOMJWOFBQXPYNH-UHFFFAOYSA-N 0 1 250.773 3.670 20 0 CHADMN CN(C)Cc1ccc(-c2cccc(C(F)(F)F)c2F)nc1 ZINC001241157773 1129467558 /nfs/dbraw/zinc/46/75/58/1129467558.db2.gz KJUWFVRLEAZPSY-UHFFFAOYSA-N 0 1 298.283 3.968 20 0 CHADMN CCOc1ccc([C@H](C)N[C@H](C)c2cnc(C)cn2)cc1 ZINC000644626984 1129472651 /nfs/dbraw/zinc/47/26/51/1129472651.db2.gz REXMYZAHVNHLRK-UONOGXRCSA-N 0 1 285.391 3.596 20 0 CHADMN CN(C)c1ccnc(-c2ccccc2C(F)(F)F)c1 ZINC001239542773 1131376758 /nfs/dbraw/zinc/37/67/58/1131376758.db2.gz CMQFBOBXQGEKEJ-UHFFFAOYSA-N 0 1 266.266 3.833 20 0 CHADMN Cc1cccc(F)c1CNCc1ccc2ncccc2c1 ZINC000742381092 1129475935 /nfs/dbraw/zinc/47/59/35/1129475935.db2.gz ONKMAKVSSDCGKT-UHFFFAOYSA-N 0 1 280.346 3.972 20 0 CHADMN COc1ccc(CNCc2c(C)cccc2F)cc1F ZINC000742379818 1129475969 /nfs/dbraw/zinc/47/59/69/1129475969.db2.gz AXVMIUGJVYTVEC-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN COc1ccccc1-c1ccc(CN[C@@H](C)CF)cc1 ZINC000644891992 1129479603 /nfs/dbraw/zinc/47/96/03/1129479603.db2.gz QZMKYMJPUDAVSN-ZDUSSCGKSA-N 0 1 273.351 3.810 20 0 CHADMN COCC1(CCNc2cc[nH+]c3c([O-])cccc23)CCC1 ZINC000645045379 1129485287 /nfs/dbraw/zinc/48/52/87/1129485287.db2.gz QQOLJAZINLHMTC-UHFFFAOYSA-N 0 1 286.375 3.559 20 0 CHADMN COc1ccc(F)c(CN[C@H](C)c2cccc(F)c2)c1 ZINC000645142533 1129488519 /nfs/dbraw/zinc/48/85/19/1129488519.db2.gz VFKQDTNIHYJNCM-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN [O-]c1cccc(C[NH2+]CCc2cc(F)ccc2F)c1Cl ZINC000645160823 1129489672 /nfs/dbraw/zinc/48/96/72/1129489672.db2.gz AQZGTDLNNXHQIO-UHFFFAOYSA-N 0 1 297.732 3.656 20 0 CHADMN Clc1ccccc1[C@H]1C[C@H](NCc2nccs2)C1 ZINC000645220855 1129492590 /nfs/dbraw/zinc/49/25/90/1129492590.db2.gz JDIPSRGOROBYNY-XYPYZODXSA-N 0 1 278.808 3.832 20 0 CHADMN CC(C)[C@@H]1CN(Cc2ccc(Cl)c(F)c2)CCCO1 ZINC000645273105 1129494126 /nfs/dbraw/zinc/49/41/26/1129494126.db2.gz WWBPAFCHODFCCY-HNNXBMFYSA-N 0 1 285.790 3.726 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCOCC1 ZINC001258678827 1129495515 /nfs/dbraw/zinc/49/55/15/1129495515.db2.gz UCOHIGQNEVNJIL-NSHDSACASA-N 0 1 288.218 3.647 20 0 CHADMN COC(C)(C)[C@@H](C)NCc1c(Cl)cccc1Cl ZINC000645400527 1129496815 /nfs/dbraw/zinc/49/68/15/1129496815.db2.gz LQWOODAVYLOLCA-SECBINFHSA-N 0 1 276.207 3.897 20 0 CHADMN Fc1cccc(F)c1CCN1CC[C@H](CC(F)(F)F)C1 ZINC000645892407 1129511719 /nfs/dbraw/zinc/51/17/19/1129511719.db2.gz DQVFKIHGAGEZOQ-SNVBAGLBSA-N 0 1 293.279 3.782 20 0 CHADMN Cc1ccoc1CN(C)CCc1c(F)cccc1F ZINC000645921425 1129513557 /nfs/dbraw/zinc/51/35/57/1129513557.db2.gz BAYJFNTZOMWFDP-UHFFFAOYSA-N 0 1 265.303 3.541 20 0 CHADMN Cc1ccccc1C1(NCc2ccccc2F)CC1 ZINC000645978921 1129515264 /nfs/dbraw/zinc/51/52/64/1129515264.db2.gz HIACBGLSYBYLJT-UHFFFAOYSA-N 0 1 255.336 3.913 20 0 CHADMN Clc1ccc(Cl)c(CN2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000645989426 1129516520 /nfs/dbraw/zinc/51/65/20/1129516520.db2.gz PKQDBUPNTIFJGS-YGRLFVJLSA-N 0 1 286.202 3.604 20 0 CHADMN Cc1ccc(CNC2(c3cccc(F)c3)CCC2)nc1 ZINC000646002255 1129517461 /nfs/dbraw/zinc/51/74/61/1129517461.db2.gz ZSKBDGCDGLLSOI-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN COc1ccc(CNC2(c3cccc(C)c3)CCC2)nc1 ZINC000646021930 1129518480 /nfs/dbraw/zinc/51/84/80/1129518480.db2.gz MWJMXRJMQGGIKI-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN CC1(C)CCC[C@H]1[C@H]1CCN(Cc2nccn2C(F)F)C1 ZINC000646049652 1129518771 /nfs/dbraw/zinc/51/87/71/1129518771.db2.gz QGRQBLVUVLLTDF-STQMWFEESA-N 0 1 297.393 3.926 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)CCC(C)(C)C ZINC000646028161 1129519129 /nfs/dbraw/zinc/51/91/29/1129519129.db2.gz OVDCURKENDBRRR-GFCCVEGCSA-N 0 1 287.407 3.764 20 0 CHADMN CC1(C)CCC[C@@H]1[C@H]1CCN(Cc2nccn2C(F)F)C1 ZINC000646049651 1129519347 /nfs/dbraw/zinc/51/93/47/1129519347.db2.gz QGRQBLVUVLLTDF-QWHCGFSZSA-N 0 1 297.393 3.926 20 0 CHADMN CC(C)n1ncnc1CN1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000646052491 1129520185 /nfs/dbraw/zinc/52/01/85/1129520185.db2.gz VKSVUBSKTWMAGR-GJZGRUSLSA-N 0 1 290.455 3.507 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1ccccc1OC1CCC1 ZINC000180905561 1129520709 /nfs/dbraw/zinc/52/07/09/1129520709.db2.gz KJCPRJUEKCOQRV-LBPRGKRZSA-N 0 1 285.391 3.500 20 0 CHADMN Cc1cccc(CN(CC(C)C)Cn2cc[nH]c2=S)c1 ZINC000743356748 1129520719 /nfs/dbraw/zinc/52/07/19/1129520719.db2.gz OOICGIWUTGICPO-UHFFFAOYSA-N 0 1 289.448 3.596 20 0 CHADMN CCCCCN(CCCCC)Cn1cc[nH]c1=S ZINC000743353166 1129520745 /nfs/dbraw/zinc/52/07/45/1129520745.db2.gz UCLKKJARHPESPM-UHFFFAOYSA-N 0 1 269.458 3.812 20 0 CHADMN C[C@@H]1C(=O)N(CN(C2CC2)C2CCCC2)[C@@H]1c1ccccc1 ZINC000743353820 1129520939 /nfs/dbraw/zinc/52/09/39/1129520939.db2.gz HXRHGINAYDQGIT-KSSFIOAISA-N 0 1 298.430 3.571 20 0 CHADMN CN(CCc1cccs1)Cn1ccc(-c2ccccc2)n1 ZINC000743382716 1129521491 /nfs/dbraw/zinc/52/14/91/1129521491.db2.gz RYFCLVJDLVTXKP-UHFFFAOYSA-N 0 1 297.427 3.744 20 0 CHADMN CN(Cc1nccn1C(F)F)C1CCCCCCC1 ZINC000303058869 1129523619 /nfs/dbraw/zinc/52/36/19/1129523619.db2.gz XNXAOHFVZOITMO-UHFFFAOYSA-N 0 1 271.355 3.823 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@H](C3CC3)C2)c1Cl ZINC000646204572 1129528458 /nfs/dbraw/zinc/52/84/58/1129528458.db2.gz YRYSXUYCJIXBJG-LBPRGKRZSA-N 0 1 265.784 3.668 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@H](C3CC3)C2)c1Cl ZINC000646204572 1129528461 /nfs/dbraw/zinc/52/84/61/1129528461.db2.gz YRYSXUYCJIXBJG-LBPRGKRZSA-N 0 1 265.784 3.668 20 0 CHADMN CC[C@@]1(C)CCCN(C[C@H](O)c2cc(F)ccc2F)C1 ZINC000743860825 1129540771 /nfs/dbraw/zinc/54/07/71/1129540771.db2.gz WGLAUFOCDOQXCD-HOTGVXAUSA-N 0 1 283.362 3.510 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)CN2CCC(C)(C)C2)cc1 ZINC000743862419 1129540877 /nfs/dbraw/zinc/54/08/77/1129540877.db2.gz BXWGGYAQOJMWOW-CQSZACIVSA-N 0 1 288.435 3.871 20 0 CHADMN COCc1nc(CN(C)C2CCCCCCC2)cs1 ZINC000743844075 1129541777 /nfs/dbraw/zinc/54/17/77/1129541777.db2.gz ZYWCBIZKJQGOLO-UHFFFAOYSA-N 0 1 282.453 3.834 20 0 CHADMN CC(C)(C)c1ccc(-c2nc([C@@H]3CCCN3)no2)s1 ZINC000647148872 1129551933 /nfs/dbraw/zinc/55/19/33/1129551933.db2.gz ZVZVGZRHNHDTJP-VIFPVBQESA-N 0 1 277.393 3.520 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@@H]2Cc1nc([C@@H]2CCCN2)no1 ZINC000647146092 1129551990 /nfs/dbraw/zinc/55/19/90/1129551990.db2.gz MRJXUEHCERAGFD-NFAWXSAZSA-N 0 1 297.402 3.636 20 0 CHADMN CC[C@@H](Cc1nc([C@@H]2CCCN2)no1)c1ccc(C)cc1 ZINC000647149767 1129552162 /nfs/dbraw/zinc/55/21/62/1129552162.db2.gz RDVVYCOMDZWUQA-ZFWWWQNUSA-N 0 1 285.391 3.539 20 0 CHADMN CC(C)c1nc(CSc2nccc3ccccc32)n[nH]1 ZINC000647161707 1129552606 /nfs/dbraw/zinc/55/26/06/1129552606.db2.gz ICUDXYWPUZKCMV-UHFFFAOYSA-N 0 1 284.388 3.769 20 0 CHADMN C[C@@H](N[C@H]1CS[C@H](C)C1)c1c(F)cccc1F ZINC000252149659 1129553132 /nfs/dbraw/zinc/55/31/32/1129553132.db2.gz OLCVUHJADOEQQY-OPRDCNLKSA-N 0 1 257.349 3.509 20 0 CHADMN COc1ncncc1CN[C@@H](CC(C)(C)C)c1ccccc1 ZINC000647171571 1129553864 /nfs/dbraw/zinc/55/38/64/1129553864.db2.gz OFFPTEOBJSEDAR-INIZCTEOSA-N 0 1 299.418 3.752 20 0 CHADMN C[C@H](OC(=O)/C=C/C1CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000744125974 1129554484 /nfs/dbraw/zinc/55/44/84/1129554484.db2.gz IDOICCJCSFWTDA-IYNCYZAOSA-N 0 1 290.750 3.787 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccnn2CC(C)C)ccc1F ZINC000647190016 1129555661 /nfs/dbraw/zinc/55/56/61/1129555661.db2.gz DFVSVAUNIXBWCW-CQSZACIVSA-N 0 1 289.398 3.837 20 0 CHADMN COc1ccccc1C1(NCc2csc(C)c2)CC1 ZINC000647233131 1129559145 /nfs/dbraw/zinc/55/91/45/1129559145.db2.gz VDJBMUSNLKQVSC-UHFFFAOYSA-N 0 1 273.401 3.844 20 0 CHADMN Cc1cccc(CN[C@@H](CCO)c2ccccc2F)c1C ZINC000647249360 1129560464 /nfs/dbraw/zinc/56/04/64/1129560464.db2.gz VDZKHTQXDBTSCK-SFHVURJKSA-N 0 1 287.378 3.656 20 0 CHADMN CCn1cc(CNC2(c3cccc(Cl)c3)CCC2)cn1 ZINC000647252231 1129560491 /nfs/dbraw/zinc/56/04/91/1129560491.db2.gz YLYYEXJLYGYFNU-UHFFFAOYSA-N 0 1 289.810 3.725 20 0 CHADMN Cc1occc1CN[C@@H](CC(C)C)c1ccncc1 ZINC000647285459 1129564174 /nfs/dbraw/zinc/56/41/74/1129564174.db2.gz DRNDEPRNVDHCST-INIZCTEOSA-N 0 1 258.365 3.860 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647286314 1129564227 /nfs/dbraw/zinc/56/42/27/1129564227.db2.gz KOUHLCRLHVRIBI-KBXCAEBGSA-N 0 1 295.430 3.866 20 0 CHADMN COc1ccccc1C1(N[C@@H]2CCc3ccccc32)CC1 ZINC000647328991 1129569243 /nfs/dbraw/zinc/56/92/43/1129569243.db2.gz CUGSFWIYZMUPSL-QGZVFWFLSA-N 0 1 279.383 3.961 20 0 CHADMN Cc1cc([C@@H](C)NC2(c3cccc(C)c3)CCC2)nn1C ZINC000647332998 1129570133 /nfs/dbraw/zinc/57/01/33/1129570133.db2.gz JGSICVXJJVKPOP-OAHLLOKOSA-N 0 1 283.419 3.767 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccccc1F)c1cccc(F)c1 ZINC000647346244 1129571853 /nfs/dbraw/zinc/57/18/53/1129571853.db2.gz SVHCHYMOAVRMSN-SJCJKPOMSA-N 0 1 291.341 3.739 20 0 CHADMN Cc1cc([C@@H](C)NC2(c3ccc(C)cc3)CCC2)nn1C ZINC000647353376 1129574802 /nfs/dbraw/zinc/57/48/02/1129574802.db2.gz XCCVDPHLVUHTCF-OAHLLOKOSA-N 0 1 283.419 3.767 20 0 CHADMN Fc1ccc(C2(NCc3ccc(Cl)nc3)CC2)cc1 ZINC000744398389 1129575686 /nfs/dbraw/zinc/57/56/86/1129575686.db2.gz QEAKDKHAGVBUJC-UHFFFAOYSA-N 0 1 276.742 3.653 20 0 CHADMN Cc1cc(CC(=O)Nc2cc(Cl)c(C)c(Cl)c2)n[nH]1 ZINC000647743466 1129583976 /nfs/dbraw/zinc/58/39/76/1129583976.db2.gz SKOJOVBCIISEQR-UHFFFAOYSA-N 0 1 298.173 3.515 20 0 CHADMN Cc1nc(CN2CCC[C@@](C)(c3ccccc3)C2)co1 ZINC000647963806 1129590445 /nfs/dbraw/zinc/59/04/45/1129590445.db2.gz BQZSJZJLSWFTSF-QGZVFWFLSA-N 0 1 270.376 3.537 20 0 CHADMN CC(C)CCc1ccc(NC(=O)c2ccc(CN)o2)cc1 ZINC000648027439 1129593078 /nfs/dbraw/zinc/59/30/78/1129593078.db2.gz LZLTUUCGZCEPSL-UHFFFAOYSA-N 0 1 286.375 3.579 20 0 CHADMN FCCNCc1cccc(OCc2ccc(F)cc2F)c1 ZINC000648030844 1129593289 /nfs/dbraw/zinc/59/32/89/1129593289.db2.gz VWBPHETWQDLTGL-UHFFFAOYSA-N 0 1 295.304 3.603 20 0 CHADMN Cc1sccc1CN1C[C@@H](C)OC2(CCCC2)C1 ZINC000648076648 1129597153 /nfs/dbraw/zinc/59/71/53/1129597153.db2.gz BWPUYFRLZGTADK-GFCCVEGCSA-N 0 1 265.422 3.590 20 0 CHADMN CCOc1ccccc1-c1cc2[nH]ccc2c(C)n1 ZINC001239557338 1131384300 /nfs/dbraw/zinc/38/43/00/1131384300.db2.gz OGEANGQGALJKAK-UHFFFAOYSA-N 0 1 252.317 3.937 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)N[C@H](C)c1cccnc1 ZINC000037229021 1129597470 /nfs/dbraw/zinc/59/74/70/1129597470.db2.gz PZFAGSNICPBJSB-ZIAGYGMSSA-N 0 1 270.376 3.810 20 0 CHADMN COc1ccc(C)c(-c2ccc3nc[nH]c3c2C)c1 ZINC001241673166 1129600899 /nfs/dbraw/zinc/60/08/99/1129600899.db2.gz CTQYGONKOJLCDX-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN COc1ccccc1Nc1ccc2[nH]c(C)nc2c1 ZINC001213073152 1129605669 /nfs/dbraw/zinc/60/56/69/1129605669.db2.gz GSPSFXBGZOEOSS-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc2cccnc2o1 ZINC000648509817 1129609763 /nfs/dbraw/zinc/60/97/63/1129609763.db2.gz CYAPQYUMEFMPNP-CMPLNLGQSA-N 0 1 298.308 3.991 20 0 CHADMN C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1cc2cccnc2o1 ZINC000648509817 1129609764 /nfs/dbraw/zinc/60/97/64/1129609764.db2.gz CYAPQYUMEFMPNP-CMPLNLGQSA-N 0 1 298.308 3.991 20 0 CHADMN COc1ccc2nc(-c3c(F)ccc(F)c3F)[nH]c2c1 ZINC000716392451 1129611322 /nfs/dbraw/zinc/61/13/22/1129611322.db2.gz YBNUZPNNGUDFDH-UHFFFAOYSA-N 0 1 278.233 3.656 20 0 CHADMN CC[C@@H](NC(=O)c1ccc2cncn2c1)c1csc(C)c1 ZINC000648651997 1129617359 /nfs/dbraw/zinc/61/73/59/1129617359.db2.gz PNBKDFAKRGXDAP-OAHLLOKOSA-N 0 1 299.399 3.585 20 0 CHADMN C[C@@H](N[C@H](CCO)c1cccs1)c1ccc(F)c(F)c1 ZINC000746049970 1129623717 /nfs/dbraw/zinc/62/37/17/1129623717.db2.gz ZGKXZZXXQFAOSZ-QMTHXVAHSA-N 0 1 297.370 3.801 20 0 CHADMN C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1n[nH]c2ccccc21 ZINC000648719251 1129623869 /nfs/dbraw/zinc/62/38/69/1129623869.db2.gz PZTKTDHGTQMMAZ-MNOVXSKESA-N 0 1 297.324 3.726 20 0 CHADMN C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1[nH]nc2ccccc21 ZINC000648719251 1129623872 /nfs/dbraw/zinc/62/38/72/1129623872.db2.gz PZTKTDHGTQMMAZ-MNOVXSKESA-N 0 1 297.324 3.726 20 0 CHADMN C[C@@H]1[C@@H](O)CCCN1Cc1cnc(C2CCCCC2)s1 ZINC000648724003 1129623891 /nfs/dbraw/zinc/62/38/91/1129623891.db2.gz SGPVKYXYUFVILK-DOMZBBRYSA-N 0 1 294.464 3.536 20 0 CHADMN CCOc1ccccc1-c1cc(F)c2c(c1)CN(C)CC2 ZINC001239561603 1131386699 /nfs/dbraw/zinc/38/66/99/1131386699.db2.gz FAULXCWAHUAJQO-UHFFFAOYSA-N 0 1 285.362 3.879 20 0 CHADMN CCOc1ccc(-c2cc(N)c(C(F)(F)F)cn2)cc1 ZINC001239562159 1131386833 /nfs/dbraw/zinc/38/68/33/1131386833.db2.gz FCVIGEKKJDJKLC-UHFFFAOYSA-N 0 1 282.265 3.748 20 0 CHADMN COC1(CN[C@@H](c2ccco2)c2ccccc2)CCC1 ZINC000184066726 1129630133 /nfs/dbraw/zinc/63/01/33/1129630133.db2.gz NVHWHGROOMJMNK-MRXNPFEDSA-N 0 1 271.360 3.528 20 0 CHADMN C[C@@H](CN1CCO[C@@H](c2cccc(F)c2)C1)C(C)(C)C ZINC001459425700 1129634258 /nfs/dbraw/zinc/63/42/58/1129634258.db2.gz LCJZMUXSKKFBLR-XJKSGUPXSA-N 0 1 279.399 3.881 20 0 CHADMN ClC1(Cl)C[C@H]1CCN1CCc2ccccc2C1 ZINC000822564804 1131387491 /nfs/dbraw/zinc/38/74/91/1131387491.db2.gz VSWLRQQCUNOMKF-CYBMUJFWSA-N 0 1 270.203 3.629 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)CN(CC1CCC(=O)CC1)CC3 ZINC000649378445 1129642052 /nfs/dbraw/zinc/64/20/52/1129642052.db2.gz NGNGWKFJOPNBOL-UHFFFAOYSA-N 0 1 296.414 3.594 20 0 CHADMN Cc1nccc(NCc2cscc2Cl)c1Cl ZINC000381367292 1129644213 /nfs/dbraw/zinc/64/42/13/1129644213.db2.gz HDWUBOHDZKWHEK-UHFFFAOYSA-N 0 1 273.188 3.792 20 0 CHADMN Cc1ccccc1[C@H](CC(C)C)NC(=O)CCc1cnc[nH]1 ZINC000193242508 1129645124 /nfs/dbraw/zinc/64/51/24/1129645124.db2.gz MUOSTMHDBAWLFM-KRWDZBQOSA-N 0 1 299.418 3.554 20 0 CHADMN Cc1cc([C@H](C)NCc2oc(C)nc2C)c(C)s1 ZINC000382388135 1129647792 /nfs/dbraw/zinc/64/77/92/1129647792.db2.gz RGDPUOUZXGYPGV-VIFPVBQESA-N 0 1 264.394 3.821 20 0 CHADMN Fc1ccc(CN2CC[C@H]3CCC[C@@H]32)cc1Br ZINC000383136943 1129650191 /nfs/dbraw/zinc/65/01/91/1129650191.db2.gz WMLVOVSISUHADD-RISCZKNCSA-N 0 1 298.199 3.963 20 0 CHADMN Cc1nc(C)c(CN[C@@H](c2cccs2)C2CC2)o1 ZINC000385709908 1129652429 /nfs/dbraw/zinc/65/24/29/1129652429.db2.gz HGXODZSOPYNPTF-CQSZACIVSA-N 0 1 262.378 3.594 20 0 CHADMN CCOc1cc(Nc2c(C)ncn2C)ccc1Cl ZINC001212579099 1129652922 /nfs/dbraw/zinc/65/29/22/1129652922.db2.gz PHPNIEWOTDXVGT-UHFFFAOYSA-N 0 1 265.744 3.524 20 0 CHADMN Cc1cncc(CCN(C)[C@@H](C)c2ccccc2Cl)n1 ZINC000649489915 1129653720 /nfs/dbraw/zinc/65/37/20/1129653720.db2.gz MBHASGQBDGYAFR-ZDUSSCGKSA-N 0 1 289.810 3.674 20 0 CHADMN Fc1ccc([C@@H](NCc2cc3n(n2)CCC3)C2CCC2)cc1 ZINC000649558900 1129657749 /nfs/dbraw/zinc/65/77/49/1129657749.db2.gz GRGNVDGLDLAXIN-SFHVURJKSA-N 0 1 299.393 3.599 20 0 CHADMN C[C@@]1(NCc2cc3n(n2)CCCC3)CCCc2ccccc21 ZINC000649559461 1129657845 /nfs/dbraw/zinc/65/78/45/1129657845.db2.gz CSHGPBXPKZHEQQ-LJQANCHMSA-N 0 1 295.430 3.561 20 0 CHADMN CC[C@@H](OCCN(C)Cc1cccc(C)n1)c1ccccc1 ZINC000649561694 1129658187 /nfs/dbraw/zinc/65/81/87/1129658187.db2.gz GLSVHSFILGYUMS-LJQANCHMSA-N 0 1 298.430 3.990 20 0 CHADMN Cc1ccnc(CN[C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000392920249 1129659914 /nfs/dbraw/zinc/65/99/14/1129659914.db2.gz DJWIXTICBIPZGK-LBPRGKRZSA-N 0 1 292.329 3.842 20 0 CHADMN CC[C@@H](OCCN[C@H](C)c1nccs1)c1ccccc1 ZINC000649583856 1129660727 /nfs/dbraw/zinc/66/07/27/1129660727.db2.gz AZAJUFSJQXMYRP-UKRRQHHQSA-N 0 1 290.432 3.962 20 0 CHADMN CC(C)c1ccc(CN[C@@](C)(CO)c2cccc(O)c2)cc1 ZINC000649624734 1129663856 /nfs/dbraw/zinc/66/38/56/1129663856.db2.gz OLROTDCXQCNMNJ-IBGZPJMESA-N 0 1 299.414 3.513 20 0 CHADMN COc1cccc(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213073251 1129664725 /nfs/dbraw/zinc/66/47/25/1129664725.db2.gz LFVUBHHZFFBZEJ-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cc1ccc(C)c(NCCCCc2ccccn2)n1 ZINC001168791942 1129665285 /nfs/dbraw/zinc/66/52/85/1129665285.db2.gz MUQAQPRJWQITIX-UHFFFAOYSA-N 0 1 255.365 3.528 20 0 CHADMN COc1cccc(CNC2(c3ccccc3C)CCC2)n1 ZINC000649645135 1129665664 /nfs/dbraw/zinc/66/56/64/1129665664.db2.gz FYWKELYRIZIRTG-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN Cc1cnc([C@@H](C)N2CC[C@](C)(c3cccc(F)c3)C2)cn1 ZINC000649661619 1129667409 /nfs/dbraw/zinc/66/74/09/1129667409.db2.gz GXSMNAUWAWPYRD-KDOFPFPSSA-N 0 1 299.393 3.649 20 0 CHADMN Cc1ccc(C(C)(C)Nc2cccn3cncc23)cc1 ZINC001168803109 1129672929 /nfs/dbraw/zinc/67/29/29/1129672929.db2.gz GNCPWXZUWXUSLU-UHFFFAOYSA-N 0 1 265.360 3.990 20 0 CHADMN Cc1ccc([C@H](C)Nc2cc(OCC3CC3)ccn2)nc1 ZINC001168851620 1129679906 /nfs/dbraw/zinc/67/99/06/1129679906.db2.gz OLVJQVYDVHZCRI-ZDUSSCGKSA-N 0 1 283.375 3.747 20 0 CHADMN Brc1ccn2c(NCCC3CCC3)cnc2c1 ZINC001168889288 1129680035 /nfs/dbraw/zinc/68/00/35/1129680035.db2.gz FTDKQUFNOJNTSC-UHFFFAOYSA-N 0 1 294.196 3.699 20 0 CHADMN Cc1cnc([C@@H](C)N2CCc3ccc(F)cc3[C@H](C)C2)o1 ZINC000649894791 1129684592 /nfs/dbraw/zinc/68/45/92/1129684592.db2.gz USDBIGWJBBFMFX-DGCLKSJQSA-N 0 1 288.366 3.845 20 0 CHADMN COc1ccc(Cl)c(CN2CC[C@]3(CC3(F)F)C2)c1 ZINC000649908466 1129686259 /nfs/dbraw/zinc/68/62/59/1129686259.db2.gz OVZXLDMZRWNVNV-ZDUSSCGKSA-N 0 1 287.737 3.580 20 0 CHADMN Cc1cnc(CN)n1-c1cc(C)ccc1-c1ccccc1 ZINC001169029127 1129690789 /nfs/dbraw/zinc/69/07/89/1129690789.db2.gz LSZMNSBPQYUWIY-UHFFFAOYSA-N 0 1 277.371 3.615 20 0 CHADMN CC(C)C[C@@H](Cc1ccccc1)N(C)Cc1ncccn1 ZINC001169070173 1129695669 /nfs/dbraw/zinc/69/56/69/1129695669.db2.gz NYACUFXORCAGFA-KRWDZBQOSA-N 0 1 283.419 3.566 20 0 CHADMN CC(C)C[C@H](Cc1ccccc1)N1CCn2cccc2C1 ZINC001169077402 1129697408 /nfs/dbraw/zinc/69/74/08/1129697408.db2.gz GVIOFVLZFXFABO-LJQANCHMSA-N 0 1 282.431 3.961 20 0 CHADMN C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[C@@H](C)C(C)(C)C1 ZINC001169091510 1129699896 /nfs/dbraw/zinc/69/98/96/1129699896.db2.gz PAFUESSJCOBKPX-OLZOCXBDSA-N 0 1 292.398 3.521 20 0 CHADMN CCn1cc([C@@H](C)N[C@H]2CCc3c2cc(F)cc3F)cn1 ZINC000650210138 1129700338 /nfs/dbraw/zinc/70/03/38/1129700338.db2.gz CSXIYVHEFPVSII-HWPZZCPQSA-N 0 1 291.345 3.519 20 0 CHADMN Cc1cc(=O)[n-]c([C@@H](C)[NH2+][C@@H](C)C2CCCCCC2)n1 ZINC001169136086 1129702156 /nfs/dbraw/zinc/70/21/56/1129702156.db2.gz KGANOTZEFNIPRZ-QWHCGFSZSA-N 0 1 277.412 3.500 20 0 CHADMN CC(C)COc1ccc(CN2C[C@H](F)C[C@H]2C)cc1 ZINC001138969631 1129702576 /nfs/dbraw/zinc/70/25/76/1129702576.db2.gz QXKYYNSKOOJAIO-UKRRQHHQSA-N 0 1 265.372 3.654 20 0 CHADMN CCCNc1cc(C)nc(N[C@H]2CCCC(F)(F)C2)n1 ZINC001169212333 1129707842 /nfs/dbraw/zinc/70/78/42/1129707842.db2.gz LSCSYXOZWLSXNY-NSHDSACASA-N 0 1 284.354 3.597 20 0 CHADMN OCC[C@@H](NC/C=C\Cl)c1ccc(Cl)c(Cl)c1 ZINC000796428117 1129708553 /nfs/dbraw/zinc/70/85/53/1129708553.db2.gz CJLXENBNARYCAE-KYXXQBJFSA-N 0 1 294.609 3.759 20 0 CHADMN Cc1cc2cc[nH]c2c(N[C@@H]2CCCC(F)(F)C2)n1 ZINC001169214357 1129708534 /nfs/dbraw/zinc/70/85/34/1129708534.db2.gz BDIWHPCWIHXVHY-LLVKDONJSA-N 0 1 265.307 3.861 20 0 CHADMN CC(C)CCN1CCc2cc(Br)ccc2C1 ZINC001169218414 1129709033 /nfs/dbraw/zinc/70/90/33/1129709033.db2.gz RGOOLIFDPIQXLZ-UHFFFAOYSA-N 0 1 282.225 3.853 20 0 CHADMN Cc1c2nc[nH]c2ccc1N[C@H]1CCCC(F)(F)C1 ZINC001169218279 1129709170 /nfs/dbraw/zinc/70/91/70/1129709170.db2.gz LDEYMMNXGLBIEJ-JTQLQIEISA-N 0 1 265.307 3.861 20 0 CHADMN CN(C)/C=C/c1ccncc1N[C@H]1CCCC(F)(F)C1 ZINC001169219532 1129709807 /nfs/dbraw/zinc/70/98/07/1129709807.db2.gz ATECFKLHUKIYAK-PPGNKHEKSA-N 0 1 281.350 3.604 20 0 CHADMN CN(Cc1cc(Br)cs1)C1CC(F)(F)C1 ZINC001204023544 1129713754 /nfs/dbraw/zinc/71/37/54/1129713754.db2.gz KDPOUFNITZOJHK-UHFFFAOYSA-N 0 1 296.180 3.740 20 0 CHADMN Cc1ccnc(N[C@@H](C2CCC2)C(F)(F)F)c1C ZINC001169283026 1129714354 /nfs/dbraw/zinc/71/43/54/1129714354.db2.gz XMPUZMRVURESSO-NSHDSACASA-N 0 1 258.287 3.841 20 0 CHADMN Cc1cc(-c2ccc(F)c(CN(C)C)c2)ccc1N(C)C ZINC001242242509 1129719838 /nfs/dbraw/zinc/71/98/38/1129719838.db2.gz WAAISJZKVFAQIE-UHFFFAOYSA-N 0 1 286.394 3.929 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](CC(C)C)c1ccccc1 ZINC000650806303 1129722670 /nfs/dbraw/zinc/72/26/70/1129722670.db2.gz WJNGPKNXHDOPLC-CVEARBPZSA-N 0 1 277.408 3.611 20 0 CHADMN CCCC[C@@H](CC)CC[N@H+]1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000650795331 1129722863 /nfs/dbraw/zinc/72/28/63/1129722863.db2.gz WKDWNCBMILXWPU-MJBXVCDLSA-N 0 1 255.402 3.530 20 0 CHADMN CCc1cnc(C[N@@H+](C)CC[C@@H]2CC2(Cl)Cl)s1 ZINC000822664126 1131393434 /nfs/dbraw/zinc/39/34/34/1131393434.db2.gz KXLYPMHRTOXZBS-SECBINFHSA-N 0 1 293.263 3.721 20 0 CHADMN CCc1cnc(CN(C)CC[C@@H]2CC2(Cl)Cl)s1 ZINC000822664126 1131393438 /nfs/dbraw/zinc/39/34/38/1131393438.db2.gz KXLYPMHRTOXZBS-SECBINFHSA-N 0 1 293.263 3.721 20 0 CHADMN Cc1nc([C@@H](C)Sc2ccc(Cl)c(F)c2)n[nH]1 ZINC000651202064 1129732436 /nfs/dbraw/zinc/73/24/36/1129732436.db2.gz OKLFEMMSFDJAAE-ZCFIWIBFSA-N 0 1 271.748 3.759 20 0 CHADMN Cc1occc1CN[C@H](C)c1cc(-c2ccccc2)nn1C ZINC000651205850 1129732730 /nfs/dbraw/zinc/73/27/30/1129732730.db2.gz JVEOJVFADRWTBR-CYBMUJFWSA-N 0 1 295.386 3.839 20 0 CHADMN Cc1cc(CN[C@@H]2CC[C@@H](C)c3ccsc32)ncn1 ZINC000651280098 1129735711 /nfs/dbraw/zinc/73/57/11/1129735711.db2.gz JGPXERZXFOEXOP-QMTHXVAHSA-N 0 1 273.405 3.575 20 0 CHADMN COc1cc(Nc2ccc(Cl)c(O)c2)ncc1C ZINC001212591493 1129737454 /nfs/dbraw/zinc/73/74/54/1129737454.db2.gz PJXNBNPTHBTQLW-UHFFFAOYSA-N 0 1 264.712 3.501 20 0 CHADMN CCCN1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001169645651 1129743539 /nfs/dbraw/zinc/74/35/39/1129743539.db2.gz ZRMCNRWLHOOQGY-CYBMUJFWSA-N 0 1 275.289 3.986 20 0 CHADMN C[C@H]1CCCCC[C@@H]1NC1(c2noc(C(F)F)n2)CCC1 ZINC000651815856 1129749267 /nfs/dbraw/zinc/74/92/67/1129749267.db2.gz PMRDOLSYIIGQNR-QWRGUYRKSA-N 0 1 299.365 3.945 20 0 CHADMN CC1(C)CCC[C@@H](CN2CC[C@](F)(c3ccccc3)C2)O1 ZINC001169746346 1129751906 /nfs/dbraw/zinc/75/19/06/1129751906.db2.gz YGTWBPOHKIMBLX-FUHWJXTLSA-N 0 1 291.410 3.905 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cn3cccc(F)c3n1)CC2 ZINC000651959488 1129752737 /nfs/dbraw/zinc/75/27/37/1129752737.db2.gz OMINCVZQNLVGGO-KRWDZBQOSA-N 0 1 295.361 3.559 20 0 CHADMN Cc1cc2[nH]ncc2cc1-c1ccncc1C(F)(F)F ZINC001242282140 1129754320 /nfs/dbraw/zinc/75/43/20/1129754320.db2.gz NNEFCJKKNHTIGH-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1Cl ZINC000652064503 1129757738 /nfs/dbraw/zinc/75/77/38/1129757738.db2.gz QECFIXVTIDYCHQ-ZDUSSCGKSA-N 0 1 271.738 3.880 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H]1N[C@H](C)c1cc2n(n1)CCCC2 ZINC000652241034 1129761104 /nfs/dbraw/zinc/76/11/04/1129761104.db2.gz TXDVEGYCGAQKMH-DKSSEZFCSA-N 0 1 295.430 3.735 20 0 CHADMN CC[C@H](N[C@@H](c1ccccc1F)[C@@H](C)O)c1ccccc1 ZINC000652230607 1129761190 /nfs/dbraw/zinc/76/11/90/1129761190.db2.gz QQVAXYXJKUNUAG-JEBQAFNWSA-N 0 1 287.378 3.989 20 0 CHADMN Cc1ccc2c(ccnc2NCCc2cncs2)c1 ZINC001169860919 1129762097 /nfs/dbraw/zinc/76/20/97/1129762097.db2.gz KEKKSKLGKRMIPS-UHFFFAOYSA-N 0 1 269.373 3.654 20 0 CHADMN C[C@H]1CN(CCCc2ccccc2Cl)C[C@H](C2CC2)O1 ZINC001169891154 1129765036 /nfs/dbraw/zinc/76/50/36/1129765036.db2.gz VZSSYPUOHSMNPS-SUMWQHHRSA-N 0 1 293.838 3.772 20 0 CHADMN COc1nscc1CN(C)[C@@H](C)C1CCCCC1 ZINC001169942055 1129766038 /nfs/dbraw/zinc/76/60/38/1129766038.db2.gz KUHYCEVQWZBRLO-NSHDSACASA-N 0 1 268.426 3.552 20 0 CHADMN Cc1c(C)c(C)c(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)c(C)c1C ZINC000652504025 1129766057 /nfs/dbraw/zinc/76/60/57/1129766057.db2.gz STWRSMLBCLFERI-JKSUJKDBSA-N 0 1 289.419 3.524 20 0 CHADMN CC(C)(C)c1nnc(CN2CCC[C@@H](C(C)(C)C)C2)o1 ZINC000796577033 1129784793 /nfs/dbraw/zinc/78/47/93/1129784793.db2.gz YDSREBHXNUMOGA-GFCCVEGCSA-N 0 1 279.428 3.625 20 0 CHADMN Fc1cccc([C@@H]2CCN2CCc2noc3ccccc32)c1 ZINC000653564885 1129784867 /nfs/dbraw/zinc/78/48/67/1129784867.db2.gz QQQAUPHNRIAURV-KRWDZBQOSA-N 0 1 296.345 3.956 20 0 CHADMN Cc1ccc(C2=CCN([C@@H](C)c3cnccn3)CC2)cc1 ZINC000767300572 1129784952 /nfs/dbraw/zinc/78/49/52/1129784952.db2.gz SYEGCHQTXHHOPR-HNNXBMFYSA-N 0 1 279.387 3.635 20 0 CHADMN Cc1cccc(C[N@@H+](C)CCOc2ccccc2)c1F ZINC001137676433 1131397436 /nfs/dbraw/zinc/39/74/36/1131397436.db2.gz WRDRWJPSYSVZAL-UHFFFAOYSA-N 0 1 273.351 3.645 20 0 CHADMN Cc1cccc(CN(C)CCOc2ccccc2)c1F ZINC001137676433 1131397442 /nfs/dbraw/zinc/39/74/42/1131397442.db2.gz WRDRWJPSYSVZAL-UHFFFAOYSA-N 0 1 273.351 3.645 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc3c(c2)OCCO3)c(C)o1 ZINC000767338520 1129785779 /nfs/dbraw/zinc/78/57/79/1129785779.db2.gz GQQRVYVRZLIMCD-GFCCVEGCSA-N 0 1 287.359 3.518 20 0 CHADMN Cc1cc2ncnc(-c3cccc(F)c3O)c2s1 ZINC001242349020 1129788300 /nfs/dbraw/zinc/78/83/00/1129788300.db2.gz DSGWYFDMCOWRFY-UHFFFAOYSA-N 0 1 260.293 3.511 20 0 CHADMN COc1ccc2c(c1)OCC[C@H]2NCc1cc(C)oc1C ZINC000767375287 1129790396 /nfs/dbraw/zinc/79/03/96/1129790396.db2.gz ZOGGUYZOKYCEAP-MRXNPFEDSA-N 0 1 287.359 3.518 20 0 CHADMN CC[C@H]1C[N@@H+](Cc2cc(C(C)C)ccc2OC)CCCO1 ZINC000653660679 1129790841 /nfs/dbraw/zinc/79/08/41/1129790841.db2.gz MJWQHNXYBAZDPG-KRWDZBQOSA-N 0 1 291.435 3.820 20 0 CHADMN CCCN(Cc1nc(-c2ccccc2C)no1)C(C)C ZINC000653797748 1129795061 /nfs/dbraw/zinc/79/50/61/1129795061.db2.gz UJESZLUPLWASNA-UHFFFAOYSA-N 0 1 273.380 3.665 20 0 CHADMN CCCN(Cc1nc(-c2cccc(C)c2)no1)C(C)C ZINC000653797139 1129795703 /nfs/dbraw/zinc/79/57/03/1129795703.db2.gz OVCUQXGAPSAZJV-UHFFFAOYSA-N 0 1 273.380 3.665 20 0 CHADMN c1ncc(CN[C@H]2CC3(CCC3)Oc3ccccc32)s1 ZINC000767923218 1129819870 /nfs/dbraw/zinc/81/98/70/1129819870.db2.gz UAJHUEPFERZFMR-AWEZNQCLSA-N 0 1 286.400 3.679 20 0 CHADMN CCC(C)(CC)C(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000768003578 1129824825 /nfs/dbraw/zinc/82/48/25/1129824825.db2.gz PRQLKBDYBZWGJG-AWEZNQCLSA-N 0 1 293.407 3.614 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N[C@H](C)CC(C)(C)C)o1 ZINC000654647743 1129830519 /nfs/dbraw/zinc/83/05/19/1129830519.db2.gz WIZZECWJIWWJLW-CYBMUJFWSA-N 0 1 294.439 3.676 20 0 CHADMN c1csc([C@@H](N[C@H]2CCn3ccnc32)C2CCCC2)c1 ZINC000380861263 1129833693 /nfs/dbraw/zinc/83/36/93/1129833693.db2.gz FAYHVFKJAQAEFV-ZFWWWQNUSA-N 0 1 287.432 3.911 20 0 CHADMN C[C@H](c1ccccc1)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000113192903 1129835302 /nfs/dbraw/zinc/83/53/02/1129835302.db2.gz NJUJCVISMXJRKY-BEFAXECRSA-N 0 1 292.382 3.693 20 0 CHADMN CN(Cc1nc2ccccc2c(=O)[nH]1)CC1CCCCCC1 ZINC000768162066 1129838005 /nfs/dbraw/zinc/83/80/05/1129838005.db2.gz SOFMABOYZBCHFT-UHFFFAOYSA-N 0 1 299.418 3.738 20 0 CHADMN CC[C@@H](NCc1cc(C)ccn1)c1ccccc1OC ZINC000381387407 1129838439 /nfs/dbraw/zinc/83/84/39/1129838439.db2.gz LYNKAEXSLOQZKY-MRXNPFEDSA-N 0 1 270.376 3.640 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(F)cc2)cnc1Cl ZINC000768174694 1129838711 /nfs/dbraw/zinc/83/87/11/1129838711.db2.gz LIWUMKFYGGLEHO-UHFFFAOYSA-N 0 1 278.758 3.815 20 0 CHADMN COc1ccc([C@H]2CCCN2Cc2ccoc2)c(OC)c1 ZINC000768206797 1129839996 /nfs/dbraw/zinc/83/99/96/1129839996.db2.gz HROXPEOMRROSRW-MRXNPFEDSA-N 0 1 287.359 3.634 20 0 CHADMN CCCCCCOc1ccc(CN2CC[C@@H]2COC)cc1 ZINC001204368953 1129841645 /nfs/dbraw/zinc/84/16/45/1129841645.db2.gz KYKVBDGTQLFORP-QGZVFWFLSA-N 0 1 291.435 3.866 20 0 CHADMN COc1cccc(CN2Cc3ccccc3[C@H](C)C2)c1OC ZINC000768195003 1129842923 /nfs/dbraw/zinc/84/29/23/1129842923.db2.gz IPABVXPTEPKMHH-CQSZACIVSA-N 0 1 297.398 3.823 20 0 CHADMN COc1ccccc1C=NN=c1ccc2ccccc2[nH]1 ZINC000017109404 1129843110 /nfs/dbraw/zinc/84/31/10/1129843110.db2.gz MEDDJNRQFRQKAS-UHFFFAOYSA-N 0 1 277.327 3.689 20 0 CHADMN CC(C)(C)Cc1ccccc1-c1nc([C@@H]2CCCN2)no1 ZINC000900010675 1129857247 /nfs/dbraw/zinc/85/72/47/1129857247.db2.gz WHGHMWKPQYCKIS-AWEZNQCLSA-N 0 1 285.391 3.750 20 0 CHADMN CC[C@H]1CN(Cc2cccc(C(C)(C)C)c2)[C@H](C)CO1 ZINC001460339488 1129865389 /nfs/dbraw/zinc/86/53/89/1129865389.db2.gz OKQUPKRMELKYSJ-PBHICJAKSA-N 0 1 275.436 3.983 20 0 CHADMN CCOC(=O)c1cc2nc(C=Cc3ccccc3)ccc2[nH]1 ZINC001239590918 1131403170 /nfs/dbraw/zinc/40/31/70/1131403170.db2.gz PKSZJHPDZPIKTA-CMDGGOBGSA-N 0 1 292.338 3.910 20 0 CHADMN COc1cccc(C)c1NC(=O)c1c(O)cccc1Cl ZINC000768669600 1129868542 /nfs/dbraw/zinc/86/85/42/1129868542.db2.gz HYLXZNMMHSRGBB-UHFFFAOYSA-N 0 1 291.734 3.615 20 0 CHADMN CCCCN(Cc1cncnc1)[C@H](C)c1ccc(C)o1 ZINC000768727281 1129871539 /nfs/dbraw/zinc/87/15/39/1129871539.db2.gz AWTKQQSVPYCVOV-CQSZACIVSA-N 0 1 273.380 3.741 20 0 CHADMN Cc1cc(F)cc2c1CN([C@H](C)c1ccncc1)CC2 ZINC000800472184 1129875392 /nfs/dbraw/zinc/87/53/92/1129875392.db2.gz ICRQZZIMQPLLDL-CYBMUJFWSA-N 0 1 270.351 3.648 20 0 CHADMN Cc1cc(F)cc([C@]2(F)CCN(CCCCCCO)C2)c1 ZINC000800474685 1129876226 /nfs/dbraw/zinc/87/62/26/1129876226.db2.gz MENKLLLIMMFRQA-KRWDZBQOSA-N 0 1 297.389 3.557 20 0 CHADMN CC[C@H]1CCCN(Cc2c(Cl)nc3ccccn32)C1 ZINC000768844577 1129877090 /nfs/dbraw/zinc/87/70/90/1129877090.db2.gz BJYAOTXLXPIJMF-LBPRGKRZSA-N 0 1 277.799 3.610 20 0 CHADMN Cc1cc(Cl)nc(CN[C@H](C)c2ccc(C)nc2C)c1 ZINC000800493315 1129878957 /nfs/dbraw/zinc/87/89/57/1129878957.db2.gz VXGBACFMVUAGNS-GFCCVEGCSA-N 0 1 289.810 3.906 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2cncc3ccccc32)on1 ZINC000768878450 1129879289 /nfs/dbraw/zinc/87/92/89/1129879289.db2.gz OPPMZZLMLNPLHR-KRWDZBQOSA-N 0 1 293.370 3.868 20 0 CHADMN Brc1ccoc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000769102519 1129889986 /nfs/dbraw/zinc/88/99/86/1129889986.db2.gz OKDDZUOYELILNP-PWSUYJOCSA-N 0 1 284.197 3.807 20 0 CHADMN Cc1cc(CN2CC[C@H](C)[C@H](C)C2)cnc1Cl ZINC000769451344 1129910920 /nfs/dbraw/zinc/91/09/20/1129910920.db2.gz LPAVINYIXCJXLF-CMPLNLGQSA-N 0 1 252.789 3.521 20 0 CHADMN CC[C@]1(C)CCN(Cc2occc2Br)C1 ZINC000769519054 1129915675 /nfs/dbraw/zinc/91/56/75/1129915675.db2.gz IBUJLQSJYYZWQQ-GFCCVEGCSA-N 0 1 272.186 3.664 20 0 CHADMN CC(C)CC[C@H]1CCCN1Cc1coc(C2CC2)n1 ZINC000769537253 1129916246 /nfs/dbraw/zinc/91/62/46/1129916246.db2.gz JJWIVMSOBRTPJR-OAHLLOKOSA-N 0 1 262.397 3.953 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H](F)c3ccccc3)ccc12 ZINC000769617909 1129919884 /nfs/dbraw/zinc/91/98/84/1129919884.db2.gz VWZHMANDBDNTHA-OAHLLOKOSA-N 0 1 283.306 3.521 20 0 CHADMN CCCOc1ccc(-c2cc([C@H](N)CC)on2)cc1OC ZINC000901389130 1129919924 /nfs/dbraw/zinc/91/99/24/1129919924.db2.gz JDPHKBRVOVSOCF-GFCCVEGCSA-N 0 1 290.363 3.549 20 0 CHADMN CCc1oc2ccccc2c1-c1cc(C(C)(C)N)on1 ZINC000901399561 1129921098 /nfs/dbraw/zinc/92/10/98/1129921098.db2.gz FQFZBHDWTBIUFG-UHFFFAOYSA-N 0 1 270.332 3.844 20 0 CHADMN O=C(Nc1ccc2ncccc2c1)c1c(O)cccc1Cl ZINC000769700945 1129921402 /nfs/dbraw/zinc/92/14/02/1129921402.db2.gz FXQHCLAUVKBFGR-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN COC(=O)c1nc2ccc(-c3c(C)cccc3C)cc2[nH]1 ZINC001239597428 1131407599 /nfs/dbraw/zinc/40/75/99/1131407599.db2.gz IQOKDSWVVZDNGH-UHFFFAOYSA-N 0 1 280.327 3.633 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000901416594 1129922857 /nfs/dbraw/zinc/92/28/57/1129922857.db2.gz VNSXMEQXZQTANL-HUUCEWRRSA-N 0 1 267.413 3.556 20 0 CHADMN Fc1cccc2c1CCN(C[C@H]1CCC3(CCCC3)O1)C2 ZINC000801525162 1129924089 /nfs/dbraw/zinc/92/40/89/1129924089.db2.gz GCEMIIJMAAHXPL-OAHLLOKOSA-N 0 1 289.394 3.676 20 0 CHADMN CC[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000901426990 1129924272 /nfs/dbraw/zinc/92/42/72/1129924272.db2.gz WZCFKNGARQMHLZ-UHFFFAOYSA-N 0 1 293.750 3.507 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000901451753 1129926072 /nfs/dbraw/zinc/92/60/72/1129926072.db2.gz KXHOCSIVRQGDIE-ASCRHOAZSA-N 0 1 277.364 3.532 20 0 CHADMN CC[C@@H](C[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1)c1ccccc1 ZINC000901465921 1129927123 /nfs/dbraw/zinc/92/71/23/1129927123.db2.gz ZDIAKBBEPAICFX-YJBOKZPZSA-N 0 1 289.419 3.613 20 0 CHADMN CC[C@H](c1ccncc1)N(C)C[C@@H]1CC1(Cl)Cl ZINC000769936404 1129933223 /nfs/dbraw/zinc/93/32/23/1129933223.db2.gz FKLKDBAULVDIDM-NWDGAFQWSA-N 0 1 273.207 3.658 20 0 CHADMN CC(C)C1CCC(C[N@H+]2C[C@H]3CCC[C@@]3(C(=O)[O-])C2)CC1 ZINC000901515272 1129933481 /nfs/dbraw/zinc/93/34/81/1129933481.db2.gz AHDOJLPOHUKTSN-AJTLQJAISA-N 0 1 293.451 3.636 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000901526598 1129934124 /nfs/dbraw/zinc/93/41/24/1129934124.db2.gz WYNSNPKRKHWIEQ-ZOBUZTSGSA-N 0 1 281.440 3.780 20 0 CHADMN Cc1ccc([C@H](C)C[N@@H+](CC(=O)[O-])Cc2ccccc2)cc1 ZINC000901568676 1129936914 /nfs/dbraw/zinc/93/69/14/1129936914.db2.gz CKDGFAPPYKFICN-MRXNPFEDSA-N 0 1 297.398 3.685 20 0 CHADMN CC(C)C[N@@H+](CC(=O)[O-])[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000901591267 1129938258 /nfs/dbraw/zinc/93/82/58/1129938258.db2.gz ZFXNXBZQHPRVLV-SJLPKXTDSA-N 0 1 289.419 3.539 20 0 CHADMN COc1ccc(CNCCOCC2CCCC2)c(Cl)c1 ZINC001461545861 1129938892 /nfs/dbraw/zinc/93/88/92/1129938892.db2.gz AWQOGOUROFRGSV-UHFFFAOYSA-N 0 1 297.826 3.645 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@@H+](CCC(=O)[O-])CC1CC1 ZINC000901610473 1129939224 /nfs/dbraw/zinc/93/92/24/1129939224.db2.gz NYABCPLLRSSNGC-AWEZNQCLSA-N 0 1 281.440 3.780 20 0 CHADMN O=C([O-])CC[N@H+](Cc1ccc(-c2ccccc2)o1)CC1CC1 ZINC000901612568 1129939771 /nfs/dbraw/zinc/93/97/71/1129939771.db2.gz FDOJVRGYPQOPAV-UHFFFAOYSA-N 0 1 299.370 3.633 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)/C=C3\CC[C@@H](C)C3)ccc12 ZINC000770256281 1129943521 /nfs/dbraw/zinc/94/35/21/1129943521.db2.gz BMLVAYYOQRPPDM-ZDIKFAODSA-N 0 1 269.348 3.556 20 0 CHADMN CCc1ccc([C@@H](CC(C)C)NCc2cn(C)cn2)cc1 ZINC000901683556 1129944388 /nfs/dbraw/zinc/94/43/88/1129944388.db2.gz OFBVDIQQILDGCU-GOSISDBHSA-N 0 1 285.435 3.860 20 0 CHADMN CCCC[C@@H](CC)CC[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000901699146 1129945580 /nfs/dbraw/zinc/94/55/80/1129945580.db2.gz KXYPLIHUGFERBE-ZBFHGGJFSA-N 0 1 269.429 3.780 20 0 CHADMN CC(C)[C@H](C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000901700440 1129945789 /nfs/dbraw/zinc/94/57/89/1129945789.db2.gz JDHVCUGJATZXDO-FUHWJXTLSA-N 0 1 289.419 3.613 20 0 CHADMN CCCCC[C@@H](C)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000801807794 1129946150 /nfs/dbraw/zinc/94/61/50/1129946150.db2.gz MOZRSFYXWKZYDM-LLVKDONJSA-N 0 1 273.380 3.570 20 0 CHADMN Cc1cc(NCc2[nH]nc3ccccc32)ccc1N(C)C ZINC000770526837 1129950457 /nfs/dbraw/zinc/95/04/57/1129950457.db2.gz CRVCZLKKEQIRCK-UHFFFAOYSA-N 0 1 280.375 3.549 20 0 CHADMN CC1(C)Cc2cc(NCc3[nH]nc4ccccc43)ccc2O1 ZINC000770600689 1129952944 /nfs/dbraw/zinc/95/29/44/1129952944.db2.gz JGIIUTNKMSVREY-UHFFFAOYSA-N 0 1 293.370 3.889 20 0 CHADMN O=C([O-])[C@]1(F)C[N@@H+](CCCC2CCCCC2)CC12CCC2 ZINC000901913067 1129965401 /nfs/dbraw/zinc/96/54/01/1129965401.db2.gz AETQVCSXXTYJMR-QGZVFWFLSA-N 0 1 297.414 3.626 20 0 CHADMN CC1=C[C@@H](C)C[C@@H](C[N@H+]2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)C1 ZINC000901917882 1129966206 /nfs/dbraw/zinc/96/62/06/1129966206.db2.gz MXWOYELERUIQJV-KBEGMRNHSA-N 0 1 291.435 3.556 20 0 CHADMN CC1(C)CCC[C@H](C[N@H+]2CCCC[C@H]2CCC(=O)[O-])C1 ZINC000901998711 1129970321 /nfs/dbraw/zinc/97/03/21/1129970321.db2.gz XIJZRPOHPCTNNZ-GJZGRUSLSA-N 0 1 281.440 3.922 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000902008132 1129970760 /nfs/dbraw/zinc/97/07/60/1129970760.db2.gz TUGOMLBVQGTJDV-UONOGXRCSA-N 0 1 255.402 3.532 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccc2occc2c1 ZINC000901998624 1129970539 /nfs/dbraw/zinc/97/05/39/1129970539.db2.gz VMJUGFDZMYHTBP-HNNXBMFYSA-N 0 1 287.359 3.652 20 0 CHADMN C[C@H](C[N@@H+](C[C@@H](C)c1cccc(Cl)c1)C1CC1)C(=O)[O-] ZINC000901995131 1129970613 /nfs/dbraw/zinc/97/06/13/1129970613.db2.gz XRKCNVSHPDNARM-VXGBXAGGSA-N 0 1 295.810 3.629 20 0 CHADMN Cc1cc(C)c(/C=C\C[N@H+]2CCC[C@@H]2CC(=O)[O-])c(C)c1 ZINC000902007495 1129971405 /nfs/dbraw/zinc/97/14/05/1129971405.db2.gz KRCNRTXHRIJHOM-GMNBZTITSA-N 0 1 287.403 3.564 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000902009468 1129971459 /nfs/dbraw/zinc/97/14/59/1129971459.db2.gz FVGLNARUKYRNGU-LSDHHAIUSA-N 0 1 267.413 3.698 20 0 CHADMN Cc1cc(C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])ccc1Cl ZINC000902022314 1129971993 /nfs/dbraw/zinc/97/19/93/1129971993.db2.gz NOCCTIIDSOMDEP-AWEZNQCLSA-N 0 1 283.799 3.580 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000902016486 1129972030 /nfs/dbraw/zinc/97/20/30/1129972030.db2.gz LEMNLCBYSXPPKH-MEBBXXQBSA-N 0 1 295.810 3.642 20 0 CHADMN C[C@@H]1CC[N@@H+](CCCC2CCCCC2)[C@@H](C(=O)[O-])C1 ZINC000902017236 1129972088 /nfs/dbraw/zinc/97/20/88/1129972088.db2.gz ORMWOOSTMRLIOG-UKRRQHHQSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@H](CCc1ccccc1)C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000902039123 1129973288 /nfs/dbraw/zinc/97/32/88/1129973288.db2.gz ZCUDNJFUYCWLDQ-OAHLLOKOSA-N 0 1 289.419 3.585 20 0 CHADMN CCC[C@H](C)C[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000902047705 1129974616 /nfs/dbraw/zinc/97/46/16/1129974616.db2.gz QWUVLGYLGFPMRI-BPUTZDHNSA-N 0 1 275.392 3.713 20 0 CHADMN CNc1ccc(C)cc1CNCc1ccc(OC(C)C)nc1 ZINC000902077913 1129977532 /nfs/dbraw/zinc/97/75/32/1129977532.db2.gz VDMLPHNOARAVDU-UHFFFAOYSA-N 0 1 299.418 3.509 20 0 CHADMN CNc1ccccc1CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000902078672 1129978193 /nfs/dbraw/zinc/97/81/93/1129978193.db2.gz QCQGXBURNPTKBZ-SWLSCSKDSA-N 0 1 270.376 3.735 20 0 CHADMN C[C@H]1CC/C(=C/C(=O)Nc2cc(F)cc(Cl)c2O)C1 ZINC000771508421 1129982898 /nfs/dbraw/zinc/98/28/98/1129982898.db2.gz DYHHETCZEKSQLZ-HXOPTJOXSA-N 0 1 283.730 3.870 20 0 CHADMN CNc1ccccc1CN[C@H]1CCCOc2ccccc21 ZINC000902138492 1129983086 /nfs/dbraw/zinc/98/30/86/1129983086.db2.gz DDFPMGQDDQTNMU-KRWDZBQOSA-N 0 1 282.387 3.732 20 0 CHADMN Cc1cccc(C[N@H+](CCC(C)(C)C(=O)[O-])CC(C)C)c1 ZINC000902133935 1129983289 /nfs/dbraw/zinc/98/32/89/1129983289.db2.gz FZLHDBBBINIJHZ-UHFFFAOYSA-N 0 1 291.435 3.954 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)CC1 ZINC000902192041 1129986448 /nfs/dbraw/zinc/98/64/48/1129986448.db2.gz NKGVFNZIDRMARL-ZDUSSCGKSA-N 0 1 298.386 3.555 20 0 CHADMN CNc1ccc(C)cc1CN[C@H]1CSc2ccccc21 ZINC000902256610 1129994011 /nfs/dbraw/zinc/99/40/11/1129994011.db2.gz SYNDDYLXRXNIDZ-INIZCTEOSA-N 0 1 284.428 3.973 20 0 CHADMN CCn1cnc(CN[C@@H](CC2CC2)c2ccccc2)c1 ZINC000902274537 1129995570 /nfs/dbraw/zinc/99/55/70/1129995570.db2.gz ATEIUXXVJJRWGV-KRWDZBQOSA-N 0 1 269.392 3.534 20 0 CHADMN CCNc1ccccc1CNCc1nc2ccc(C)cc2[nH]1 ZINC000902287461 1129997373 /nfs/dbraw/zinc/99/73/73/1129997373.db2.gz ACYKNLKZJLDAIG-UHFFFAOYSA-N 0 1 294.402 3.593 20 0 CHADMN CNc1ccc(C)cc1CNCc1nc2ccc(C)cc2[nH]1 ZINC000902290100 1129997512 /nfs/dbraw/zinc/99/75/12/1129997512.db2.gz WRZCIMICITVYSN-UHFFFAOYSA-N 0 1 294.402 3.511 20 0 CHADMN CNc1ccccc1CNC1(c2cccc(OC)c2)CC1 ZINC000902311711 1129999484 /nfs/dbraw/zinc/99/94/84/1129999484.db2.gz HFWBWCQXOMJECC-UHFFFAOYSA-N 0 1 282.387 3.516 20 0 CHADMN CCCCN(CC)Cn1cc(C(C)C)n(C)c1=S ZINC000747454321 1130001760 /nfs/dbraw/zinc/00/17/60/1130001760.db2.gz GIXGNMLNAQRKEI-UHFFFAOYSA-N 0 1 269.458 3.759 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@H](c3cccc(C)c3)C2)oc1C(=O)[O-] ZINC000902369537 1130003857 /nfs/dbraw/zinc/00/38/57/1130003857.db2.gz BYVAXXHDILRYEH-HNNXBMFYSA-N 0 1 299.370 3.584 20 0 CHADMN Cc1cn[nH]c1CSCCCCOC(C)(C)C ZINC000902372433 1130003883 /nfs/dbraw/zinc/00/38/83/1130003883.db2.gz IKBSOFNUFCMEMC-UHFFFAOYSA-N 0 1 256.415 3.547 20 0 CHADMN CC(C)c1ccc(NC(=O)CN(C)[C@@H](C)C2(C)CC2)cc1 ZINC000752357099 1130004593 /nfs/dbraw/zinc/00/45/93/1130004593.db2.gz ZDOWFNABNFEBSM-AWEZNQCLSA-N 0 1 288.435 3.869 20 0 CHADMN Cc1cn[nH]c1CSCCCCC1CCOCC1 ZINC000902383131 1130004857 /nfs/dbraw/zinc/00/48/57/1130004857.db2.gz SSDIIMLCMRQAEB-UHFFFAOYSA-N 0 1 268.426 3.548 20 0 CHADMN CC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000902401029 1130006788 /nfs/dbraw/zinc/00/67/88/1130006788.db2.gz CNARFEJRQLQKSY-CYBMUJFWSA-N 0 1 299.370 3.877 20 0 CHADMN CCCC[C@@H](CC)CN1CCc2cc(Cl)nnc2C1 ZINC000829169341 1131413537 /nfs/dbraw/zinc/41/35/37/1131413537.db2.gz MRWOKFLXDJZRFP-GFCCVEGCSA-N 0 1 281.831 3.705 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)C[C@@H]2NCc1cccc(C)n1 ZINC000902756269 1130052134 /nfs/dbraw/zinc/05/21/34/1130052134.db2.gz DPVOJDLIGCHCST-YJYMSZOUSA-N 0 1 296.414 3.812 20 0 CHADMN Cc1cn[nH]c1CSCCCSC(C)(C)C ZINC000902436424 1130011015 /nfs/dbraw/zinc/01/10/15/1130011015.db2.gz REGIKOAPWVEAPV-UHFFFAOYSA-N 0 1 258.456 3.873 20 0 CHADMN CCNc1ccccc1CNCc1cc(F)ccc1OC ZINC000902500452 1130017814 /nfs/dbraw/zinc/01/78/14/1130017814.db2.gz VUZNNEOUOYYWPW-UHFFFAOYSA-N 0 1 288.366 3.556 20 0 CHADMN CCc1oc(C[N@H+](C(CC)CC)C2CC2)cc1C(=O)[O-] ZINC000902524236 1130019596 /nfs/dbraw/zinc/01/95/96/1130019596.db2.gz KFNDTHAFTDIWQL-UHFFFAOYSA-N 0 1 279.380 3.693 20 0 CHADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])c(CC)o1 ZINC000902521470 1130020331 /nfs/dbraw/zinc/02/03/31/1130020331.db2.gz PKHJIPMJXPUDBG-WFASDCNBSA-N 0 1 293.407 3.941 20 0 CHADMN C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000902523427 1130020514 /nfs/dbraw/zinc/02/05/14/1130020514.db2.gz KCOVFYRHXYENOZ-GXTWGEPZSA-N 0 1 293.382 3.504 20 0 CHADMN CC(C)c1ccc(-c2ccc(N3CCN(C)CC3)nc2)cc1 ZINC001239626265 1130020812 /nfs/dbraw/zinc/02/08/12/1130020812.db2.gz ZFODJZHTNGDXJT-UHFFFAOYSA-N 0 1 295.430 3.624 20 0 CHADMN CC(=O)c1ccc(-c2ccc3nc[nH]c3c2C)cc1 ZINC001239630658 1130022344 /nfs/dbraw/zinc/02/23/44/1130022344.db2.gz IKJTUICARANXMZ-UHFFFAOYSA-N 0 1 250.301 3.741 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000902540872 1130022577 /nfs/dbraw/zinc/02/25/77/1130022577.db2.gz GUTVQUJQMFAWAE-IIAWOOMASA-N 0 1 289.419 3.754 20 0 CHADMN CCC(CC)[C@H](N[C@H](C)c1cn(C)nn1)c1ccccc1 ZINC000902758572 1130053413 /nfs/dbraw/zinc/05/34/13/1130053413.db2.gz HYTQTBQDXNCBKO-DYVFJYSZSA-N 0 1 286.423 3.643 20 0 CHADMN CNc1ccc(C)cc1CN[C@H]1CCCc2cccnc21 ZINC000902656722 1130035021 /nfs/dbraw/zinc/03/50/21/1130035021.db2.gz IREUYZNRJVREAK-KRWDZBQOSA-N 0 1 281.403 3.599 20 0 CHADMN CCC[C@H](C)c1noc([C@H](C)N2[C@@H](C)CC[C@@H]2C)n1 ZINC000785585644 1130040124 /nfs/dbraw/zinc/04/01/24/1130040124.db2.gz MBOVPKAVKFPAPJ-CYDGBPFRSA-N 0 1 265.401 3.907 20 0 CHADMN COc1cccc(OC)c1-c1ccc(CN(C)C)c(F)c1 ZINC001239673909 1130045499 /nfs/dbraw/zinc/04/54/99/1130045499.db2.gz ALIIVQISKFFRBN-UHFFFAOYSA-N 0 1 289.350 3.572 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1cc(F)c(Cl)c(F)c1 ZINC001242796521 1130049805 /nfs/dbraw/zinc/04/98/05/1130049805.db2.gz SIYWJKQWRGYMSN-UHFFFAOYSA-N 0 1 283.640 3.696 20 0 CHADMN O=C(Oc1ccc2ccccc2c1)c1ccc2cncn2c1 ZINC000785731769 1130051625 /nfs/dbraw/zinc/05/16/25/1130051625.db2.gz YBSCWGXKRCTXBW-UHFFFAOYSA-N 0 1 288.306 3.707 20 0 CHADMN Cc1cc(-c2cccc(O)c2Cl)cc2nc[nH]c21 ZINC001242799544 1130051705 /nfs/dbraw/zinc/05/17/05/1130051705.db2.gz QRGCWWVLYHWFRJ-UHFFFAOYSA-N 0 1 258.708 3.897 20 0 CHADMN CC(C)(C)c1nc2nc[nH]c2c(-c2ccc3[nH]ccc3c2)n1 ZINC001239693657 1130058317 /nfs/dbraw/zinc/05/83/17/1130058317.db2.gz PJKJWGOXMCTSFT-UHFFFAOYSA-N 0 1 291.358 3.799 20 0 CHADMN C[C@@H](OC(=O)Cc1[nH]nc2ccccc21)c1ccc(F)cc1 ZINC000746583713 1130092603 /nfs/dbraw/zinc/09/26/03/1130092603.db2.gz ZNQRGJKNGUBFBI-LLVKDONJSA-N 0 1 298.317 3.549 20 0 CHADMN C[C@H](NCc1ccnc(N(C)C)c1)c1cc2ccccc2o1 ZINC000786445809 1130094880 /nfs/dbraw/zinc/09/48/80/1130094880.db2.gz RYEMPHMDFAYQRH-ZDUSSCGKSA-N 0 1 295.386 3.745 20 0 CHADMN CCc1nc(OC)ccc1-c1cc2[nH]cnc2cc1C ZINC001239772146 1130101759 /nfs/dbraw/zinc/10/17/59/1130101759.db2.gz FVMZIZAMJWFQLH-UHFFFAOYSA-N 0 1 267.332 3.504 20 0 CHADMN CC[C@H](N[C@H](c1nncn1C)C(C)C)c1ccc(C)cc1 ZINC000903061204 1130106519 /nfs/dbraw/zinc/10/65/19/1130106519.db2.gz LCLDFLFQPRCBGQ-HOTGVXAUSA-N 0 1 286.423 3.562 20 0 CHADMN CC[C@@H](N[C@H](c1nncn1C)C(C)C)c1cccc(C)c1 ZINC000903065658 1130107354 /nfs/dbraw/zinc/10/73/54/1130107354.db2.gz RVIUMHQCULPOMF-CVEARBPZSA-N 0 1 286.423 3.562 20 0 CHADMN CC(C)[C@H](Nc1ccnc2[nH]cnc21)c1ccc(F)cc1 ZINC001170065029 1130119071 /nfs/dbraw/zinc/11/90/71/1130119071.db2.gz BCWTZIPAWCVXHY-AWEZNQCLSA-N 0 1 284.338 3.906 20 0 CHADMN COC[C@@H](N[C@H](C)c1ccc[nH]1)c1ccc(Cl)cc1 ZINC000786867442 1130119900 /nfs/dbraw/zinc/11/99/00/1130119900.db2.gz AEZQPYXXCDZFCY-IAQYHMDHSA-N 0 1 278.783 3.706 20 0 CHADMN Fc1ccc([C@H](NCC[C@@H]2CC[C@@H]3C[C@@H]32)c2ncc[nH]2)cc1 ZINC000903166170 1130122625 /nfs/dbraw/zinc/12/26/25/1130122625.db2.gz OJYPGEMRIJEMQA-JFOHDYCDSA-N 0 1 299.393 3.664 20 0 CHADMN CCC[C@H](NCc1nccc2c1CCCC2)c1cccnc1 ZINC000903181055 1130124911 /nfs/dbraw/zinc/12/49/11/1130124911.db2.gz CVEVFSYTICGYST-SFHVURJKSA-N 0 1 295.430 3.986 20 0 CHADMN C[C@H](NCc1nccc2c1CCCC2)c1ccc(F)cc1 ZINC000903185090 1130125546 /nfs/dbraw/zinc/12/55/46/1130125546.db2.gz PNJPHNLMPFULOQ-ZDUSSCGKSA-N 0 1 284.378 3.950 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1nccc2c1CCCC2 ZINC000903185421 1130125798 /nfs/dbraw/zinc/12/57/98/1130125798.db2.gz SPLPFOUDTWYTOE-GOSISDBHSA-N 0 1 296.389 3.877 20 0 CHADMN Cc1ccc([C@@H](C)NCc2nccc3c2CCCC3)c(C)n1 ZINC000903183708 1130126031 /nfs/dbraw/zinc/12/60/31/1130126031.db2.gz FHAFLLUITZBFSC-CQSZACIVSA-N 0 1 295.430 3.823 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2NCc1nccc2c1CCCC2 ZINC000903183352 1130126041 /nfs/dbraw/zinc/12/60/41/1130126041.db2.gz BWQPKNXJRBJRNZ-GOSISDBHSA-N 0 1 296.389 3.877 20 0 CHADMN C[C@H](NCc1cc(N(C)C)ccn1)c1ccccc1Cl ZINC000903202914 1130128991 /nfs/dbraw/zinc/12/89/91/1130128991.db2.gz LSLWFOZYMUJQTQ-LBPRGKRZSA-N 0 1 289.810 3.652 20 0 CHADMN COc1ccc(-c2ccc(CN(C)C)c(F)c2)c(C)c1 ZINC001239829261 1130129910 /nfs/dbraw/zinc/12/99/10/1130129910.db2.gz AKXLMPDVHCPFEV-UHFFFAOYSA-N 0 1 273.351 3.871 20 0 CHADMN COc1ncc(-c2cc3nc[nH]c3c(C)c2)cc1Cl ZINC001242930392 1130141380 /nfs/dbraw/zinc/14/13/80/1130141380.db2.gz CKGIPSZRVRCARL-UHFFFAOYSA-N 0 1 273.723 3.595 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2ccc(F)nc2C)c1 ZINC000787291165 1130142989 /nfs/dbraw/zinc/14/29/89/1130142989.db2.gz SFTWUPZLGTUBGF-UHFFFAOYSA-N 0 1 272.367 3.778 20 0 CHADMN CC(C)[C@H]1c2ccccc2CCN1Cc1ccc(F)cn1 ZINC000787264513 1130143280 /nfs/dbraw/zinc/14/32/80/1130143280.db2.gz UEBHYAIHCFBKTR-SFHVURJKSA-N 0 1 284.378 3.976 20 0 CHADMN Clc1csc(CN2CCC([C@@H]3CCOC3)CC2)c1 ZINC000787272643 1130143565 /nfs/dbraw/zinc/14/35/65/1130143565.db2.gz UQEDMDQSDOLJSW-GFCCVEGCSA-N 0 1 285.840 3.650 20 0 CHADMN COc1cc(Cl)c(F)cc1N[C@H]1CCCc2[nH]ncc21 ZINC000903275750 1130143761 /nfs/dbraw/zinc/14/37/61/1130143761.db2.gz RAQYHQLTKXMVFD-NSHDSACASA-N 0 1 295.745 3.700 20 0 CHADMN CC1(C)C[C@H](N[C@@H]2c3ccccc3OC[C@@H]2F)CCS1 ZINC000903282524 1130145063 /nfs/dbraw/zinc/14/50/63/1130145063.db2.gz LSRHFHWZKXOLOS-OSAQELSMSA-N 0 1 295.423 3.722 20 0 CHADMN CCn1ccc2ccc(CN3CCCC[C@@H]3C(C)=O)cc21 ZINC001139124203 1130148441 /nfs/dbraw/zinc/14/84/41/1130148441.db2.gz KNGCOFDISIAREX-QGZVFWFLSA-N 0 1 284.403 3.605 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnn(CC2CCC2)c1)c1cncs1 ZINC000903304683 1130149880 /nfs/dbraw/zinc/14/98/80/1130149880.db2.gz BXQXLUVBNSPLIM-NWDGAFQWSA-N 0 1 290.436 3.552 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnn(-c2ccccc2)c1)c1cncs1 ZINC000903311527 1130152188 /nfs/dbraw/zinc/15/21/88/1130152188.db2.gz PMLPHXUJKIWCDX-QWHCGFSZSA-N 0 1 298.415 3.741 20 0 CHADMN CSc1cncc(-c2ccc3nc[nH]c3c2C)c1 ZINC001242952245 1130156756 /nfs/dbraw/zinc/15/67/56/1130156756.db2.gz XSPFTTMRIAPWQU-UHFFFAOYSA-N 0 1 255.346 3.655 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2N[C@H](c1ccccn1)C1CC1 ZINC000903335102 1130160409 /nfs/dbraw/zinc/16/04/09/1130160409.db2.gz KTOLGGQISVBOHT-YOEHRIQHSA-N 0 1 268.360 3.793 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](c2ccccn2)C2CC2)cc1O ZINC000903334811 1130160470 /nfs/dbraw/zinc/16/04/70/1130160470.db2.gz GRUXZDZBYHIJFS-KZULUSFZSA-N 0 1 298.386 3.598 20 0 CHADMN Cc1cncc([C@H](C)N[C@H](c2ccccn2)C2CC2)c1 ZINC000903336475 1130161291 /nfs/dbraw/zinc/16/12/91/1130161291.db2.gz ZFHORJAGHYUWLY-GUYCJALGSA-N 0 1 267.376 3.587 20 0 CHADMN C[C@@H](N[C@H](c1ccccn1)C1CC1)c1ccnc(Cl)c1 ZINC000903340602 1130162637 /nfs/dbraw/zinc/16/26/37/1130162637.db2.gz RSEYPUDDFSNVOV-BZNIZROVSA-N 0 1 287.794 3.932 20 0 CHADMN CCCCc1ccc([C@@H](C)NCc2cn(C)cn2)cc1 ZINC000903353155 1130165311 /nfs/dbraw/zinc/16/53/11/1130165311.db2.gz ZNRXZBFUMKOWMD-CQSZACIVSA-N 0 1 271.408 3.614 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cncc2ccccc21 ZINC001239947242 1130165656 /nfs/dbraw/zinc/16/56/56/1130165656.db2.gz MFEFZUNKDDLYAB-UHFFFAOYSA-N 0 1 275.311 3.787 20 0 CHADMN COC1(CN[C@@H](C)c2csc(C)n2)CCCCCC1 ZINC000903417584 1130173633 /nfs/dbraw/zinc/17/36/33/1130173633.db2.gz CRIYNSVZQZYTPT-LBPRGKRZSA-N 0 1 282.453 3.842 20 0 CHADMN CC(C)C[C@@H]1CCCN1Cc1cnc(Cl)s1 ZINC000396786887 1130216376 /nfs/dbraw/zinc/21/63/76/1130216376.db2.gz UGNDZOCRYZWZPX-JTQLQIEISA-N 0 1 258.818 3.807 20 0 CHADMN CC[C@H](N[C@H](c1ccncc1)C1CC1)c1cccc(OC)n1 ZINC000903428065 1130175355 /nfs/dbraw/zinc/17/53/55/1130175355.db2.gz CJIUBLCAPCKZKN-YJBOKZPZSA-N 0 1 297.402 3.677 20 0 CHADMN CCOC(=O)c1nc2cc(-c3cc(C)ccc3F)ccc2[nH]1 ZINC001239966229 1130175409 /nfs/dbraw/zinc/17/54/09/1130175409.db2.gz SSEWHASYVNTKNT-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN Clc1ccc2c(n1)[C@H](N[C@H](c1ccncc1)C1CC1)CC2 ZINC000903427782 1130175703 /nfs/dbraw/zinc/17/57/03/1130175703.db2.gz KAUZPAODQJJGMH-ZBFHGGJFSA-N 0 1 299.805 3.858 20 0 CHADMN C[C@H](N[C@@H](c1ccncc1)C1CC1)c1cccc2c1OCO2 ZINC000903428930 1130176156 /nfs/dbraw/zinc/17/61/56/1130176156.db2.gz MTJZMOOXHNENCO-YVEFUNNKSA-N 0 1 296.370 3.612 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NC/C=C\Cl)CCS2 ZINC000903442767 1130177809 /nfs/dbraw/zinc/17/78/09/1130177809.db2.gz TYXZSUZNJPAVOX-ORSQJBAVSA-N 0 1 257.761 3.705 20 0 CHADMN CC(C)CCC[C@@H](C)N1CCc2nc(Cl)ncc2C1 ZINC001170083344 1130179454 /nfs/dbraw/zinc/17/94/54/1130179454.db2.gz PEPZAFDFTDAFRW-GFCCVEGCSA-N 0 1 281.831 3.703 20 0 CHADMN CC(C)(C)NC(=O)c1ccc(-c2cccc3nc[nH]c32)cc1 ZINC001239989941 1130183404 /nfs/dbraw/zinc/18/34/04/1130183404.db2.gz CKFJJTZSLKIBIN-UHFFFAOYSA-N 0 1 293.370 3.758 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](CC)Cc1ccc(Cl)s1 ZINC000903595765 1130183576 /nfs/dbraw/zinc/18/35/76/1130183576.db2.gz NWZZKXHCSCKOTI-JOYOIKCWSA-N 0 1 289.828 3.723 20 0 CHADMN C[N@@H+](CC[C@H]1CCCC1(F)F)Cc1ccc(C(=O)[O-])cc1 ZINC000903595543 1130183830 /nfs/dbraw/zinc/18/38/30/1130183830.db2.gz FBHKTURAJPIEID-CQSZACIVSA-N 0 1 297.345 3.642 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000903595055 1130183957 /nfs/dbraw/zinc/18/39/57/1130183957.db2.gz JCJVWTINYAUVOF-DYVFJYSZSA-N 0 1 285.387 3.771 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000903598749 1130183992 /nfs/dbraw/zinc/18/39/92/1130183992.db2.gz XWYOPBHGYXQMKE-SOUVJXGZSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)(C)NC(=O)c1ccc(-c2ccc3cncn3c2)cc1 ZINC001239991775 1130184251 /nfs/dbraw/zinc/18/42/51/1130184251.db2.gz NRXXTYZMSYQCGG-UHFFFAOYSA-N 0 1 293.370 3.530 20 0 CHADMN CCc1ccccc1C[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000903623446 1130184370 /nfs/dbraw/zinc/18/43/70/1130184370.db2.gz YVQCOXNRFIXPFQ-UHFFFAOYSA-N 0 1 291.435 3.818 20 0 CHADMN C=C/C=C/CC[N@@H+](CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000903607449 1130184489 /nfs/dbraw/zinc/18/44/89/1130184489.db2.gz BLHHTRJEAULTMI-JFDDCEBESA-N 0 1 273.376 3.657 20 0 CHADMN CC(C)C[N@@H+](CCSC(C)(C)C)CC(C)(C)C(=O)[O-] ZINC000903622908 1130184803 /nfs/dbraw/zinc/18/48/03/1130184803.db2.gz RKOBQSRSCMVYMN-UHFFFAOYSA-N 0 1 289.485 3.587 20 0 CHADMN CC[C@H](CC(F)F)C[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000903623217 1130184869 /nfs/dbraw/zinc/18/48/69/1130184869.db2.gz VYVJVRIQGZDSEC-GFCCVEGCSA-N 0 1 293.398 3.737 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](C)C1CCCCC1 ZINC000903606289 1130184897 /nfs/dbraw/zinc/18/48/97/1130184897.db2.gz IVDQBZXSBLYUOX-YDHLFZDLSA-N 0 1 269.429 3.634 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)C1CCCCC1 ZINC000903606286 1130184916 /nfs/dbraw/zinc/18/49/16/1130184916.db2.gz IVDQBZXSBLYUOX-GUTXKFCHSA-N 0 1 269.429 3.634 20 0 CHADMN CC(C)c1ccc(C[N@@H+](C)CCC2(C(=O)[O-])CCC2)cc1 ZINC000903694227 1130190030 /nfs/dbraw/zinc/19/00/30/1130190030.db2.gz ZYLOMBVVAPGDMO-UHFFFAOYSA-N 0 1 289.419 3.887 20 0 CHADMN c1cc2cnccc2c(-c2cc(N3CCCC3)ccn2)c1 ZINC001240006787 1130190553 /nfs/dbraw/zinc/19/05/53/1130190553.db2.gz KYWXUSPDPQXPHS-UHFFFAOYSA-N 0 1 275.355 3.897 20 0 CHADMN CCCSC[C@@H](C)N[C@H]1COc2cc(F)cc(F)c21 ZINC001462084719 1130191342 /nfs/dbraw/zinc/19/13/42/1130191342.db2.gz GYBGZLDQKHBGOG-SKDRFNHKSA-N 0 1 287.375 3.520 20 0 CHADMN c1cc2[nH]nnc2c(-c2ccc(N3CCCCC3)cc2)c1 ZINC001240012768 1130193383 /nfs/dbraw/zinc/19/33/83/1130193383.db2.gz HBDXMYPFXVOGRZ-UHFFFAOYSA-N 0 1 278.359 3.615 20 0 CHADMN COc1ccc(-c2nc(C)cc3[nH]ccc32)c(F)c1 ZINC001240017867 1130194231 /nfs/dbraw/zinc/19/42/31/1130194231.db2.gz OCCBEWRIFAAPOM-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000903888306 1130208372 /nfs/dbraw/zinc/20/83/72/1130208372.db2.gz YIOVOFOZSXGOMA-BMGDILEWSA-N 0 1 295.382 3.697 20 0 CHADMN O=C([O-])c1cccc2c1CC[N@@H+](C[C@H]1CC3CCC1CC3)C2 ZINC000903907576 1130209711 /nfs/dbraw/zinc/20/97/11/1130209711.db2.gz ZISINYKFVQJQCJ-ZBCRRDGASA-N 0 1 299.414 3.569 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]1CCC1CCCCC1 ZINC000903898268 1130209887 /nfs/dbraw/zinc/20/98/87/1130209887.db2.gz NRJASXGOPGECQE-HRCADAONSA-N 0 1 279.424 3.532 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)[C@@H]2CCC[C@H]21 ZINC000903911434 1130210184 /nfs/dbraw/zinc/21/01/84/1130210184.db2.gz GMXKOFXCVLJGLB-ARFHVFGLSA-N 0 1 291.435 3.532 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@H+](CC1CCC3(CC3)CC1)C2 ZINC000903905922 1130210211 /nfs/dbraw/zinc/21/02/11/1130210211.db2.gz BDYAZUMFPUWAKF-UHFFFAOYSA-N 0 1 285.387 3.671 20 0 CHADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)CC1CCC2(CC2)CC1 ZINC000903900889 1130210362 /nfs/dbraw/zinc/21/03/62/1130210362.db2.gz UZKATTYJTOOVGM-UHFFFAOYSA-N 0 1 287.403 3.787 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)[C@H](C)C1 ZINC000903904846 1130210790 /nfs/dbraw/zinc/21/07/90/1130210790.db2.gz OHPBPWZSFASGHK-CHWSQXEVSA-N 0 1 298.386 3.553 20 0 CHADMN CCCCC(N)=NOCC[C@H](C)OCc1ccccc1 ZINC000788788586 1130211368 /nfs/dbraw/zinc/21/13/68/1130211368.db2.gz WXQLDKMOXNBHQQ-AWEZNQCLSA-N 0 1 278.396 3.670 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CC2CCCCCC2)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903949380 1130211699 /nfs/dbraw/zinc/21/16/99/1130211699.db2.gz AKSJUCHVZFEVOO-HLPPOEQASA-N 0 1 281.440 3.776 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(Cl)c2)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903947886 1130212095 /nfs/dbraw/zinc/21/20/95/1130212095.db2.gz ANHTVXLGQJPWET-NWJSVONSSA-N 0 1 295.810 3.660 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCCC2CCCC2)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903953786 1130213326 /nfs/dbraw/zinc/21/33/26/1130213326.db2.gz VEBAIZQITIKUMU-HOSILWTGSA-N 0 1 281.440 3.776 20 0 CHADMN Fc1ccc2[nH]ccc2c1-c1ccc2[nH]cnc2c1 ZINC001240216117 1130235115 /nfs/dbraw/zinc/23/51/15/1130235115.db2.gz QIESHTFTGMOEBW-UHFFFAOYSA-N 0 1 251.264 3.850 20 0 CHADMN FC1(c2ccccc2)CCN(C/C=C\Cl)CC1 ZINC000789309260 1130242605 /nfs/dbraw/zinc/24/26/05/1130242605.db2.gz IINXLTAXCXDQRO-WTKPLQERSA-N 0 1 253.748 3.700 20 0 CHADMN Cc1cc(-c2cccc(-n3cccn3)c2)cc2nc[nH]c21 ZINC001240247700 1130245659 /nfs/dbraw/zinc/24/56/59/1130245659.db2.gz GMKVUMAVDZNOGF-UHFFFAOYSA-N 0 1 274.327 3.724 20 0 CHADMN CCN(Cc1ccc(Cl)cc1Cl)[C@H]1CCCOC1 ZINC001254389601 1130247122 /nfs/dbraw/zinc/24/71/22/1130247122.db2.gz QQFXHFQXFOPGTE-ZDUSSCGKSA-N 0 1 288.218 3.994 20 0 CHADMN c1ncn2cccc(-c3cccc(N4CCCCC4)c3)c12 ZINC001240252673 1130249190 /nfs/dbraw/zinc/24/91/90/1130249190.db2.gz NKGAQUCIPNBGTP-UHFFFAOYSA-N 0 1 277.371 3.992 20 0 CHADMN Cc1ccc(C)c(-c2cccc(CCN3CCOCC3)c2)c1 ZINC001240270925 1130253880 /nfs/dbraw/zinc/25/38/80/1130253880.db2.gz RPEGPXJZYYHIED-UHFFFAOYSA-N 0 1 295.426 3.845 20 0 CHADMN CCN(C)C(=O)c1ccc(-c2ccc3nc[nH]c3c2C)cc1 ZINC001240284479 1130255343 /nfs/dbraw/zinc/25/53/43/1130255343.db2.gz SXUHRSDEXNMBEY-UHFFFAOYSA-N 0 1 293.370 3.630 20 0 CHADMN c1nc2ccc(-c3cccn4cncc34)cc2s1 ZINC001240345801 1130272735 /nfs/dbraw/zinc/27/27/35/1130272735.db2.gz SXJFVGNPGADCNJ-UHFFFAOYSA-N 0 1 251.314 3.611 20 0 CHADMN COc1ncc(CN2[C@@H](C)CCC[C@@H]2C)cc1Cl ZINC000676887077 1130274851 /nfs/dbraw/zinc/27/48/51/1130274851.db2.gz FQNOUAHWPXPICU-QWRGUYRKSA-N 0 1 268.788 3.507 20 0 CHADMN C[C@@H]1CN(Cc2cccc3c2OCCO3)Cc2ccccc21 ZINC000746852167 1130276750 /nfs/dbraw/zinc/27/67/50/1130276750.db2.gz ZTSAEXKOEGAATL-CQSZACIVSA-N 0 1 295.382 3.577 20 0 CHADMN CCN(Cc1nc2ccccn2c1C)Cc1ccc(C)cc1 ZINC001137276101 1130279362 /nfs/dbraw/zinc/27/93/62/1130279362.db2.gz YAAPWGWLZCMWFT-UHFFFAOYSA-N 0 1 293.414 3.973 20 0 CHADMN Fc1ccc(-n2ccc(CN3CCC[C@@H](C4CC4)C3)n2)cc1 ZINC000677046865 1130284861 /nfs/dbraw/zinc/28/48/61/1130284861.db2.gz AAPYMXQPDJOHEC-OAHLLOKOSA-N 0 1 299.393 3.633 20 0 CHADMN CN(C)Cc1ccc(NC(=O)C(C)(C)C2CCC2)cc1F ZINC000826847932 1130289621 /nfs/dbraw/zinc/28/96/21/1130289621.db2.gz KMJDROGQCVOBGG-UHFFFAOYSA-N 0 1 292.398 3.652 20 0 CHADMN Cc1cc(OC(=O)c2ccc3cncn3c2)ccc1Cl ZINC000790101241 1130291295 /nfs/dbraw/zinc/29/12/95/1130291295.db2.gz KFGVNFFKOCWULH-UHFFFAOYSA-N 0 1 286.718 3.515 20 0 CHADMN CCn1nccc1CN[C@@H](C)c1cc2cccc(OC)c2o1 ZINC000677127522 1130291615 /nfs/dbraw/zinc/29/16/15/1130291615.db2.gz KVPAGNBLJZYKBQ-LBPRGKRZSA-N 0 1 299.374 3.509 20 0 CHADMN Cc1csc(CN2CCC(n3ccnc3)CC2)c1Cl ZINC001137292816 1130306665 /nfs/dbraw/zinc/30/66/65/1130306665.db2.gz QSLVSTPASHJHMV-UHFFFAOYSA-N 0 1 295.839 3.744 20 0 CHADMN Cc1csc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c1Cl ZINC001137292912 1130307939 /nfs/dbraw/zinc/30/79/39/1130307939.db2.gz VOCKHVZFEGJSDM-GUBZILKMSA-N 0 1 259.777 3.642 20 0 CHADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)[C@H]1CC12CCC2 ZINC000677600180 1130318008 /nfs/dbraw/zinc/31/80/08/1130318008.db2.gz BTEDPQZCUAMCMR-SECBINFHSA-N 0 1 291.301 3.629 20 0 CHADMN CCc1ccc(-c2nc(-c3ccn4cncc4c3)no2)s1 ZINC000790511700 1130318224 /nfs/dbraw/zinc/31/82/24/1130318224.db2.gz COBKPKYYCNWGLL-UHFFFAOYSA-N 0 1 296.355 3.675 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2CCC3(CC3)CC2)cc1C ZINC000677716585 1130322313 /nfs/dbraw/zinc/32/23/13/1130322313.db2.gz KZFWGVHSSCQCQR-HNNXBMFYSA-N 0 1 286.419 3.506 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N1CC[C@H](C(F)(F)F)C1)CC2 ZINC000677714200 1130322650 /nfs/dbraw/zinc/32/26/50/1130322650.db2.gz RVXQFXWVEBHUHC-GWCFXTLKSA-N 0 1 273.273 3.697 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC2(CCOC2)CC1 ZINC000677721116 1130323864 /nfs/dbraw/zinc/32/38/64/1130323864.db2.gz VROXMYZCSWFXFE-GFCCVEGCSA-N 0 1 281.346 3.528 20 0 CHADMN O=C(CN1CCC2(CC2)CC1)Nc1cccc2ccccc21 ZINC000677717277 1130324226 /nfs/dbraw/zinc/32/42/26/1130324226.db2.gz OJXHZLDIHXKJDR-UHFFFAOYSA-N 0 1 294.398 3.654 20 0 CHADMN FC(F)[C@@H]1CCN(Cc2ccccc2C(F)(F)F)C1 ZINC000677731272 1130325541 /nfs/dbraw/zinc/32/55/41/1130325541.db2.gz OAHFQJRPIUNBCL-SNVBAGLBSA-N 0 1 279.252 3.792 20 0 CHADMN Cc1ccc2ncc(C[N@H+]3CC[C@H]4CCCC[C@@H]4C3)n2c1 ZINC001137312153 1130331036 /nfs/dbraw/zinc/33/10/36/1130331036.db2.gz JNPFZSVRGZVTSI-HZPDHXFCSA-N 0 1 283.419 3.655 20 0 CHADMN c1c2ccccc2[nH]c1CN1CC(c2ccccc2)C1 ZINC001137320110 1130344607 /nfs/dbraw/zinc/34/46/07/1130344607.db2.gz XSAXYAHWWMQETR-UHFFFAOYSA-N 0 1 262.356 3.767 20 0 CHADMN COc1ccc(Cl)c(NCc2[nH]nc3ccccc32)c1 ZINC000678077383 1130348721 /nfs/dbraw/zinc/34/87/21/1130348721.db2.gz RFCGOSONMJIJED-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN CCCCCCC(=O)Nc1cc2cn[nH]c2cc1C ZINC000791057392 1130349102 /nfs/dbraw/zinc/34/91/02/1130349102.db2.gz SAJKPXPKQLYRJI-UHFFFAOYSA-N 0 1 259.353 3.780 20 0 CHADMN C[C@H](CN1C[C@H](C(F)(F)F)OC[C@H]1C)C1CCCCC1 ZINC001170148968 1130354191 /nfs/dbraw/zinc/35/41/91/1130354191.db2.gz LJZQSVWVJXFLJD-YRGRVCCFSA-N 0 1 293.373 3.854 20 0 CHADMN Cc1ccc(CN(Cc2ccc3c[nH]nc3c2)C2CC2)o1 ZINC000678135710 1130357093 /nfs/dbraw/zinc/35/70/93/1130357093.db2.gz SCLRRCKHBLTFBF-UHFFFAOYSA-N 0 1 281.359 3.629 20 0 CHADMN COCc1ccc(CN(Cc2ccc(C)o2)C2CC2)cc1 ZINC000678135540 1130358025 /nfs/dbraw/zinc/35/80/25/1130358025.db2.gz PLZSFAXLJXBOTN-UHFFFAOYSA-N 0 1 285.387 3.899 20 0 CHADMN CN(C)Cc1cccc(-c2cccc(-c3cc[nH]n3)c2)c1F ZINC001240564475 1130361202 /nfs/dbraw/zinc/36/12/02/1130361202.db2.gz AWMKDQJCBLEEDZ-UHFFFAOYSA-N 0 1 295.361 3.944 20 0 CHADMN C[C@H]1CO[C@H](C(F)(F)F)CN1CC1CCCCCC1 ZINC001170151391 1130362043 /nfs/dbraw/zinc/36/20/43/1130362043.db2.gz WBJFNYXTZWHDOX-AAEUAGOBSA-N 0 1 279.346 3.608 20 0 CHADMN CCNC(=O)Nc1ccc(-c2ccc3nc[nH]c3c2C)cc1 ZINC001240578614 1130370610 /nfs/dbraw/zinc/37/06/10/1130370610.db2.gz SZJWWILBBIWACN-UHFFFAOYSA-N 0 1 294.358 3.680 20 0 CHADMN CCNC(=O)Nc1ccc(-c2cccc3nc(C)[nH]c32)cc1 ZINC001240580130 1130371707 /nfs/dbraw/zinc/37/17/07/1130371707.db2.gz APPXYBRIZBPOJC-UHFFFAOYSA-N 0 1 294.358 3.680 20 0 CHADMN COc1ccccc1[C@H]1CCCCN1Cc1cccn1C ZINC000678241434 1130377496 /nfs/dbraw/zinc/37/74/96/1130377496.db2.gz VCVCPTVNQLYPLM-QGZVFWFLSA-N 0 1 284.403 3.761 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1n[nH]c2ccccc21 ZINC000678242088 1130378894 /nfs/dbraw/zinc/37/88/94/1130378894.db2.gz WHOHGKGMVMENMQ-ZDUSSCGKSA-N 0 1 277.371 3.682 20 0 CHADMN C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1[C@H](C)C[C@H]1C ZINC000791575603 1130382690 /nfs/dbraw/zinc/38/26/90/1130382690.db2.gz XIPYFOKLAJRTNY-MCIONIFRSA-N 0 1 288.435 3.794 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2n[nH]c3ccccc32)n1 ZINC000678266996 1130385230 /nfs/dbraw/zinc/38/52/30/1130385230.db2.gz LHJIGKIIADUXSQ-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2[nH]nc3ccccc32)n1 ZINC000678266996 1130385246 /nfs/dbraw/zinc/38/52/46/1130385246.db2.gz LHJIGKIIADUXSQ-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN CC[C@H]1CCCCC[N@H+]1Cc1cn2cccc(F)c2n1 ZINC000678270992 1130385714 /nfs/dbraw/zinc/38/57/14/1130385714.db2.gz HEDOOPCOWUDGHW-AWEZNQCLSA-N 0 1 275.371 3.628 20 0 CHADMN CC[C@H]1CCCCCN1Cc1cn2cccc(F)c2n1 ZINC000678270992 1130385716 /nfs/dbraw/zinc/38/57/16/1130385716.db2.gz HEDOOPCOWUDGHW-AWEZNQCLSA-N 0 1 275.371 3.628 20 0 CHADMN C/C=C\CN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000791636537 1130389569 /nfs/dbraw/zinc/38/95/69/1130389569.db2.gz DHYZJTVRLLKUIJ-LIMHQNJXSA-N 0 1 252.361 3.645 20 0 CHADMN Clc1cscc1CN1CCC[C@@]2(CCCOC2)C1 ZINC000678276931 1130389801 /nfs/dbraw/zinc/38/98/01/1130389801.db2.gz CTBWRTSIOQTJLV-CQSZACIVSA-N 0 1 285.840 3.794 20 0 CHADMN c1ccc(C2CC2)c(C[N@H+]2CCOCC23CCCC3)c1 ZINC000678294035 1130392524 /nfs/dbraw/zinc/39/25/24/1130392524.db2.gz LQPAVPWQPQRGCV-UHFFFAOYSA-N 0 1 271.404 3.709 20 0 CHADMN Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc(C)c(F)c1 ZINC000678336241 1130400908 /nfs/dbraw/zinc/40/09/08/1130400908.db2.gz CFGCGJWNNNRFNU-KRWDZBQOSA-N 0 1 287.382 3.513 20 0 CHADMN C[C@@H]1CCN(Cc2cscc2Cl)C[C@H]1n1ccnc1 ZINC000678336923 1130402502 /nfs/dbraw/zinc/40/25/02/1130402502.db2.gz NRNHERIGRXILMT-BXUZGUMPSA-N 0 1 295.839 3.681 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1cccc2c1OC(C)(C)C2 ZINC000678362638 1130409362 /nfs/dbraw/zinc/40/93/62/1130409362.db2.gz JMBOXBMCKWPHQJ-CQSZACIVSA-N 0 1 296.414 3.954 20 0 CHADMN COc1cc(C)ccc1CN[C@H](C)c1ccc(C)nc1C ZINC000678427938 1130416469 /nfs/dbraw/zinc/41/64/69/1130416469.db2.gz OBGONNJMRDPXSW-CQSZACIVSA-N 0 1 284.403 3.866 20 0 CHADMN CSc1cc(C)ccc1-c1nccc2[nH]cnc21 ZINC001243374600 1130422607 /nfs/dbraw/zinc/42/26/07/1130422607.db2.gz PBDJALFERYZXAN-UHFFFAOYSA-N 0 1 255.346 3.655 20 0 CHADMN CSc1cc(C)ccc1-c1[nH]ccc2ncnc1-2 ZINC001243374600 1130422612 /nfs/dbraw/zinc/42/26/12/1130422612.db2.gz PBDJALFERYZXAN-UHFFFAOYSA-N 0 1 255.346 3.655 20 0 CHADMN Fc1cccc(Br)c1CN1CCC[C@@H]1C1CC1 ZINC000678517212 1130424465 /nfs/dbraw/zinc/42/44/65/1130424465.db2.gz OLDQQTUHMNUAHD-CQSZACIVSA-N 0 1 298.199 3.963 20 0 CHADMN CCCC[C@H](CCC)CNC(=O)[C@H]1CCN1C(C)(C)C ZINC001137340705 1130428057 /nfs/dbraw/zinc/42/80/57/1130428057.db2.gz MMBDLMCMGASVQK-LSDHHAIUSA-N 0 1 282.472 3.582 20 0 CHADMN Fc1ccc2[nH]cc(CN3CCCCC34CC4)c2c1 ZINC001137341350 1130431982 /nfs/dbraw/zinc/43/19/82/1130431982.db2.gz JMTNXLWVEHESEG-UHFFFAOYSA-N 0 1 258.340 3.826 20 0 CHADMN Cc1nc([C@H](C)N[C@H]2CCCC(F)(F)C2)c(C)s1 ZINC000678600108 1130437500 /nfs/dbraw/zinc/43/75/00/1130437500.db2.gz IVIVJTDYWIRUPF-KWQFWETISA-N 0 1 274.380 3.988 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H]2CCCC(F)(F)C2)c(C)s1 ZINC000678600109 1130437754 /nfs/dbraw/zinc/43/77/54/1130437754.db2.gz IVIVJTDYWIRUPF-LDYMZIIASA-N 0 1 274.380 3.988 20 0 CHADMN COc1c(F)ccc(F)c1-c1ccc2[nH]cnc2c1 ZINC001240723730 1130439323 /nfs/dbraw/zinc/43/93/23/1130439323.db2.gz VITHCSCMVXVSAM-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN Cc1cc(CN[C@@H]2CC[C@@H](C)c3ccccc32)ncn1 ZINC000678604218 1130439940 /nfs/dbraw/zinc/43/99/40/1130439940.db2.gz ASVNGRHXVLPGIT-SJKOYZFVSA-N 0 1 267.376 3.513 20 0 CHADMN Cc1c(F)cccc1-c1nc(C(C)(C)C)nc2nc[nH]c21 ZINC001240729382 1130442909 /nfs/dbraw/zinc/44/29/09/1130442909.db2.gz NRHPJGXIBFBWBO-UHFFFAOYSA-N 0 1 284.338 3.717 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@@H](C)c1cnc(C)s1 ZINC000678698308 1130447387 /nfs/dbraw/zinc/44/73/87/1130447387.db2.gz OSZRNFJMOKDOMK-QWRGUYRKSA-N 0 1 275.421 3.821 20 0 CHADMN CC(C)Cn1ccnc1CN[C@H]1c2ccccc2CC[C@H]1C ZINC000678771639 1130452232 /nfs/dbraw/zinc/45/22/32/1130452232.db2.gz WQMNJNTWFNOAOU-DNVCBOLYSA-N 0 1 297.446 3.952 20 0 CHADMN CCc1nn(C)cc1CN(Cc1ccc(F)cc1)C(C)C ZINC000678814019 1130460424 /nfs/dbraw/zinc/46/04/24/1130460424.db2.gz WFVJMZDEINYWGA-UHFFFAOYSA-N 0 1 289.398 3.532 20 0 CHADMN Cc1nc2ccc(-c3ccc4c(c3)CCCO4)cc2[nH]1 ZINC001240773767 1130466116 /nfs/dbraw/zinc/46/61/16/1130466116.db2.gz VZNJZHBUJDFPAA-UHFFFAOYSA-N 0 1 264.328 3.863 20 0 CHADMN CCCCc1nc(CN[C@H](CC)C2CCCCC2)no1 ZINC000678894722 1130468210 /nfs/dbraw/zinc/46/82/10/1130468210.db2.gz GUBXWEWRDWKJKP-CQSZACIVSA-N 0 1 279.428 3.861 20 0 CHADMN CCO[C@H](C)c1noc(CN[C@@H](CC)C2CCCCC2)n1 ZINC000678895730 1130468543 /nfs/dbraw/zinc/46/85/43/1130468543.db2.gz UAGKSSGJVIBBMW-OCCSQVGLSA-N 0 1 295.427 3.616 20 0 CHADMN C[C@H](Cc1ccccc1Cl)N1CC[C@@H](C)[C@H](F)C1 ZINC001170265220 1130469399 /nfs/dbraw/zinc/46/93/99/1130469399.db2.gz GATKYAPLFBVDDI-LALPHHSUSA-N 0 1 269.791 3.951 20 0 CHADMN CCCCO[C@H]1C[C@H](NCc2cc(C(C)C)no2)C1(C)C ZINC000678928601 1130473490 /nfs/dbraw/zinc/47/34/90/1130473490.db2.gz QWKPCTASYMLRGU-HOTGVXAUSA-N 0 1 294.439 3.871 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc2cc[nH]c2c1 ZINC001240799107 1130478432 /nfs/dbraw/zinc/47/84/32/1130478432.db2.gz PBHLYBVNBPODMD-UHFFFAOYSA-N 0 1 263.300 3.720 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)N1CCc2ccncc2C1 ZINC001170288537 1130480987 /nfs/dbraw/zinc/48/09/87/1130480987.db2.gz PRPRWLQOMYNVOM-ZDUSSCGKSA-N 0 1 286.806 3.724 20 0 CHADMN Cc1ncc([C@H](C)NC2(c3ccc(F)cc3)CCC2)c(C)n1 ZINC000679013281 1130483561 /nfs/dbraw/zinc/48/35/61/1130483561.db2.gz FATBFXQWBLICLU-ZDUSSCGKSA-N 0 1 299.393 3.963 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NC1(c2ccc(F)cc2)CCC1 ZINC000679013864 1130483871 /nfs/dbraw/zinc/48/38/71/1130483871.db2.gz PKDCDORLYJMPFS-GFCCVEGCSA-N 0 1 287.382 3.598 20 0 CHADMN COc1ccc2c(c1)CN([C@H]1CCc3ccccc31)CCO2 ZINC001170357819 1130484532 /nfs/dbraw/zinc/48/45/32/1130484532.db2.gz GCWSXPGDMAPGNZ-SFHVURJKSA-N 0 1 295.382 3.577 20 0 CHADMN CN1CCN(c2ccc(-c3ccccc3C3CC3)cc2)CC1 ZINC001240854346 1130493583 /nfs/dbraw/zinc/49/35/83/1130493583.db2.gz GYVXJWBGGQNZSF-UHFFFAOYSA-N 0 1 292.426 3.983 20 0 CHADMN Cc1nccc(NCc2cnc3ccccc3c2)c1Cl ZINC000792690941 1130493863 /nfs/dbraw/zinc/49/38/63/1130493863.db2.gz LEXAOWATNHKJSF-UHFFFAOYSA-N 0 1 283.762 3.626 20 0 CHADMN CC[C@@H](Cc1ccc2c(c1)OCO2)N[C@H]1CCCC1(F)F ZINC001170418838 1130495125 /nfs/dbraw/zinc/49/51/25/1130495125.db2.gz BQFGBCUPDDKENP-WFASDCNBSA-N 0 1 297.345 3.514 20 0 CHADMN CC(C)[C@@H]1CCCC[C@H]1Nc1cnn(-c2ccncc2)c1 ZINC000679125139 1130495626 /nfs/dbraw/zinc/49/56/26/1130495626.db2.gz BFYXEJALMJHEJJ-DLBZAZTESA-N 0 1 284.407 3.894 20 0 CHADMN CCc1ccc([C@H](C)Nc2cnn(-c3ccncc3)c2)o1 ZINC000679128601 1130496719 /nfs/dbraw/zinc/49/67/19/1130496719.db2.gz WZWVOXFMUGAOTL-LBPRGKRZSA-N 0 1 282.347 3.596 20 0 CHADMN c1ccc2c(c1)oc1c2cccc1-c1cc2c(nn1)CNC2 ZINC001240890173 1130503588 /nfs/dbraw/zinc/50/35/88/1130503588.db2.gz YXVFFOACKRIWFM-UHFFFAOYSA-N 0 1 287.322 3.646 20 0 CHADMN c1cnc2c(c1)cccc2-c1cc(N2CCCC2)ccn1 ZINC001240893049 1130505199 /nfs/dbraw/zinc/50/51/99/1130505199.db2.gz RJNHEDXGEDJXFQ-UHFFFAOYSA-N 0 1 275.355 3.897 20 0 CHADMN CCc1cccc(F)c1CN[C@@H]1CCCc2nc(C)ncc21 ZINC000792977023 1130510185 /nfs/dbraw/zinc/51/01/85/1130510185.db2.gz HTNFQZVBTYCJOS-QGZVFWFLSA-N 0 1 299.393 3.654 20 0 CHADMN Oc1c(F)cc(F)cc1-c1ccc2c(n1)CCCC2 ZINC001243501096 1130515039 /nfs/dbraw/zinc/51/50/39/1130515039.db2.gz YGCAYRAXKBJBTC-UHFFFAOYSA-N 0 1 261.271 3.611 20 0 CHADMN Oc1cccc(-c2cc(F)c(CN3CCCC3)c(F)c2)c1 ZINC001240925718 1130520108 /nfs/dbraw/zinc/52/01/08/1130520108.db2.gz BMYOLMUHXGWNJW-UHFFFAOYSA-N 0 1 289.325 3.933 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(C)(C)C)[nH]2)CCC1(F)F ZINC001137372182 1130523543 /nfs/dbraw/zinc/52/35/43/1130523543.db2.gz LZVMWZMZSISMHT-LLVKDONJSA-N 0 1 270.367 3.789 20 0 CHADMN Cc1nc(-c2ccc(COC(C)(C)C)cc2)nc2nc[nH]c21 ZINC001240940160 1130526287 /nfs/dbraw/zinc/52/62/87/1130526287.db2.gz FBBSCBXYAFZTOU-UHFFFAOYSA-N 0 1 296.374 3.595 20 0 CHADMN Cc1nc(C)c([C@H](C)N(C)Cc2ccc(O)cc2)s1 ZINC000679392105 1130526483 /nfs/dbraw/zinc/52/64/83/1130526483.db2.gz GPMZDUDOTDCDNW-NSHDSACASA-N 0 1 276.405 3.659 20 0 CHADMN Cc1ccc(CNCc2ccc(O)cc2)c(OCC2CC2)c1 ZINC000679396871 1130527692 /nfs/dbraw/zinc/52/76/92/1130527692.db2.gz CFDOFOFSJIMGHF-UHFFFAOYSA-N 0 1 297.398 3.779 20 0 CHADMN CC(C)(C)c1ccc(CN2CC[C@@H](Oc3ccccc3)C2)[nH]1 ZINC001137376684 1130533929 /nfs/dbraw/zinc/53/39/29/1130533929.db2.gz MTYALUMJNCFXDC-QGZVFWFLSA-N 0 1 298.430 3.966 20 0 CHADMN COc1cc(F)c(-c2cccc3nc[nH]c32)cc1F ZINC001240955710 1130534916 /nfs/dbraw/zinc/53/49/16/1130534916.db2.gz AGAXBXXTEMFZTC-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000679536932 1130537103 /nfs/dbraw/zinc/53/71/03/1130537103.db2.gz QWHWGJZYRSRABO-KGLIPLIRSA-N 0 1 295.373 3.603 20 0 CHADMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccccc1F ZINC000679543370 1130537393 /nfs/dbraw/zinc/53/73/93/1130537393.db2.gz BSDLBEYZFFUKSK-ZYHUDNBSSA-N 0 1 275.289 3.989 20 0 CHADMN FCC[C@H]1CCCN(Cc2c(Cl)nc3ccccn32)C1 ZINC000827270802 1130538166 /nfs/dbraw/zinc/53/81/66/1130538166.db2.gz GENLXLWFKUSGJG-GFCCVEGCSA-N 0 1 295.789 3.559 20 0 CHADMN C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(F)cc1 ZINC000679547227 1130539133 /nfs/dbraw/zinc/53/91/33/1130539133.db2.gz ZZIJVFSBVFNENN-CMPLNLGQSA-N 0 1 275.289 3.989 20 0 CHADMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1cccc(F)c1 ZINC000679545146 1130539161 /nfs/dbraw/zinc/53/91/61/1130539161.db2.gz JLLFGQVUHLPQSK-ZYHUDNBSSA-N 0 1 275.289 3.989 20 0 CHADMN Cc1c[nH]c2ncc(-c3ccc(F)c(CN(C)C)c3)cc12 ZINC001240968577 1130542862 /nfs/dbraw/zinc/54/28/62/1130542862.db2.gz HSKQHTSAMOYSGU-UHFFFAOYSA-N 0 1 283.350 3.739 20 0 CHADMN Cc1ncccc1CN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679583819 1130543500 /nfs/dbraw/zinc/54/35/00/1130543500.db2.gz JRROQGIBDKBEDB-GXFFZTMASA-N 0 1 272.314 3.553 20 0 CHADMN C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccsc1 ZINC000679583383 1130544589 /nfs/dbraw/zinc/54/45/89/1130544589.db2.gz FPRNKHKMBVLVKM-GXSJLCMTSA-N 0 1 263.328 3.911 20 0 CHADMN Cc1ccc(Br)c(CN(C)CC2CC2)c1 ZINC001137380798 1130546470 /nfs/dbraw/zinc/54/64/70/1130546470.db2.gz WOKCXFNNJGXBCW-UHFFFAOYSA-N 0 1 268.198 3.599 20 0 CHADMN CC[C@@H](C)N(C)Cc1cc(C)ccc1Br ZINC001137382091 1130546529 /nfs/dbraw/zinc/54/65/29/1130546529.db2.gz KSUKTBCDAVYJAJ-LLVKDONJSA-N 0 1 270.214 3.988 20 0 CHADMN CC[C@@H](C)[C@@H](C)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000679636815 1130548317 /nfs/dbraw/zinc/54/83/17/1130548317.db2.gz XDYGGBSHZHERQL-NXEZZACHSA-N 0 1 293.798 3.515 20 0 CHADMN O[C@@H](CN(Cc1ccccc1)[C@H]1C=CCCC1)C(F)(F)F ZINC000679675211 1130551282 /nfs/dbraw/zinc/55/12/82/1130551282.db2.gz HLSIAAKKEMOGBS-GJZGRUSLSA-N 0 1 299.336 3.521 20 0 CHADMN CSc1ccccc1CN1CCC[C@H](OC(F)F)C1 ZINC000679683045 1130552037 /nfs/dbraw/zinc/55/20/37/1130552037.db2.gz WFQXQNFPLVFGSR-LBPRGKRZSA-N 0 1 287.375 3.612 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCC[C@@H](OC(F)F)C1 ZINC000679710723 1130552684 /nfs/dbraw/zinc/55/26/84/1130552684.db2.gz PNZRITWTQWHYSB-LLVKDONJSA-N 0 1 296.292 3.582 20 0 CHADMN CC(=O)Nc1ccc([C@H](C)NCc2ccc(Cl)o2)cc1 ZINC000679768793 1130555579 /nfs/dbraw/zinc/55/55/79/1130555579.db2.gz FMRJLLAGGQRADW-JTQLQIEISA-N 0 1 292.766 3.742 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@@H](C)c2cc(C)nn2C)cc1 ZINC000793521714 1130562226 /nfs/dbraw/zinc/56/22/26/1130562226.db2.gz XGFKUEJYVWCGRE-KGLIPLIRSA-N 0 1 287.407 3.539 20 0 CHADMN Cc1cnc(-c2ccccc2O)nc1-c1ccccc1F ZINC001241009231 1130563198 /nfs/dbraw/zinc/56/31/98/1130563198.db2.gz ODHAUGODLHYWMO-UHFFFAOYSA-N 0 1 280.302 3.964 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCc3cc(Cl)ccc32)n(C)n1 ZINC000793527582 1130564138 /nfs/dbraw/zinc/56/41/38/1130564138.db2.gz OADRMQFTJSYMAI-IAQYHMDHSA-N 0 1 289.810 3.720 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCc3cc(Cl)ccc32)n(C)n1 ZINC000793527580 1130564385 /nfs/dbraw/zinc/56/43/85/1130564385.db2.gz OADRMQFTJSYMAI-ABAIWWIYSA-N 0 1 289.810 3.720 20 0 CHADMN COc1cccc(F)c1-c1cccc2nc(C)[nH]c21 ZINC001241012811 1130566387 /nfs/dbraw/zinc/56/63/87/1130566387.db2.gz HFMCOAREZUZDBM-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN c1cc2c(o1)CCN(Cc1cccc(-c3ccncc3)c1)C2 ZINC001137393990 1130566896 /nfs/dbraw/zinc/56/68/96/1130566896.db2.gz SLMPKZXMIIXEII-UHFFFAOYSA-N 0 1 290.366 3.900 20 0 CHADMN COc1c(C)cc(-c2cc3[nH]ccc3cn2)cc1C ZINC001241015772 1130568116 /nfs/dbraw/zinc/56/81/16/1130568116.db2.gz LKIJSRKRQWTQIK-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN Cc1cc([C@H](C)NC2(c3ccc(F)cc3)CCC2)n(C)n1 ZINC000793549155 1130568537 /nfs/dbraw/zinc/56/85/37/1130568537.db2.gz QXAUTAUUIJOJOU-ZDUSSCGKSA-N 0 1 287.382 3.598 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2cc3ccccc3o2)n(C)n1 ZINC000793555094 1130569619 /nfs/dbraw/zinc/56/96/19/1130569619.db2.gz AGCVOSHBDOZWJX-OLZOCXBDSA-N 0 1 283.375 3.887 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccccc2C(F)(F)F)n(C)n1 ZINC000793531245 1130571878 /nfs/dbraw/zinc/57/18/78/1130571878.db2.gz ZQGKOTDNQUESQV-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN CC[C@@]1(C)CC[N@@H+](Cn2cc(-c3ccccc3)cn2)C1 ZINC000758399615 1130609765 /nfs/dbraw/zinc/60/97/65/1130609765.db2.gz XAXASIVUTDYXGM-KRWDZBQOSA-N 0 1 269.392 3.630 20 0 CHADMN CC[C@H](C)CN(C)Cc1ccnc(Cl)c1Cl ZINC000811456444 1130610436 /nfs/dbraw/zinc/61/04/36/1130610436.db2.gz OTURPDXXUBQNGQ-VIFPVBQESA-N 0 1 261.196 3.866 20 0 CHADMN CC[C@H]1CCCCN1Cc1c(Cl)nccc1N(C)C ZINC001234141900 1130611207 /nfs/dbraw/zinc/61/12/07/1130611207.db2.gz FAEKHDXCQRXAPO-LBPRGKRZSA-N 0 1 281.831 3.566 20 0 CHADMN CCOc1ccc(O[C@H]2CCC[N@H+](C(C)C)C2)c(Cl)c1 ZINC001234317543 1130635761 /nfs/dbraw/zinc/63/57/61/1130635761.db2.gz SRBVZIZNESEZQQ-AWEZNQCLSA-N 0 1 297.826 3.990 20 0 CHADMN Cc1cc(C(F)(F)F)nn1CN(C)CC1CCCCC1 ZINC000811728353 1130641599 /nfs/dbraw/zinc/64/15/99/1130641599.db2.gz CZJJDIQAISVQFO-UHFFFAOYSA-N 0 1 289.345 3.680 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1NCc1nc(Cl)cs1 ZINC000759188468 1130641807 /nfs/dbraw/zinc/64/18/07/1130641807.db2.gz AVRRRHKMMBOCBM-VHSXEESVSA-N 0 1 290.885 3.950 20 0 CHADMN Cc1ccc(C)c([C@H](C)NCc2cccc(F)n2)c1 ZINC000747742944 1130647916 /nfs/dbraw/zinc/64/79/16/1130647916.db2.gz CGOBDHUUPMIJHU-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Br)s2)C2(CC2)C1 ZINC001137647192 1130650161 /nfs/dbraw/zinc/65/01/61/1130650161.db2.gz IMDJJACHGRAKQR-VIFPVBQESA-N 0 1 286.238 3.885 20 0 CHADMN c1cc(-c2nc(CNC[C@@H]3CCC=CO3)cs2)cs1 ZINC000780566096 1130684969 /nfs/dbraw/zinc/68/49/69/1130684969.db2.gz JPFHPCNANBGYPP-ZDUSSCGKSA-N 0 1 292.429 3.654 20 0 CHADMN C[C@H](ONC(=O)C(C)(C)c1ccccc1)c1ccccc1 ZINC000812415786 1130688924 /nfs/dbraw/zinc/68/89/24/1130688924.db2.gz NKBSXSOOJJNTDR-AWEZNQCLSA-N 0 1 283.371 3.773 20 0 CHADMN Cc1cc(CNCc2ccc(Cl)cn2)ccc1Cl ZINC000780767408 1130690853 /nfs/dbraw/zinc/69/08/53/1130690853.db2.gz LYLUELQXMPOFCL-UHFFFAOYSA-N 0 1 281.186 3.987 20 0 CHADMN CCOC(OCC)c1ccc(CN2CCC[C@@H]2CF)cc1 ZINC001234925804 1130692041 /nfs/dbraw/zinc/69/20/41/1130692041.db2.gz VSOJVUKJFXNEQD-MRXNPFEDSA-N 0 1 295.398 3.692 20 0 CHADMN O=C(Nc1ccc(O)c(Cl)c1)c1c(O)cccc1Cl ZINC000780992018 1130698846 /nfs/dbraw/zinc/69/88/46/1130698846.db2.gz PGLDXZMSRIYEAK-UHFFFAOYSA-N 0 1 298.125 3.657 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)/C=C2/CC[C@@H](C)C2)c1 ZINC000812706736 1130706885 /nfs/dbraw/zinc/70/68/85/1130706885.db2.gz YEHBJNZEOJRJBV-ZGSOTFDTSA-N 0 1 287.359 3.670 20 0 CHADMN Fc1cc(F)c2c(c1)CC[C@H](N1CC3(C1)CC(F)(F)C3)C2 ZINC001170686409 1130714154 /nfs/dbraw/zinc/71/41/54/1130714154.db2.gz ZNRCMKBAMHKQDU-LBPRGKRZSA-N 0 1 299.311 3.553 20 0 CHADMN FC(F)(F)Sc1cccc(CSc2cn[nH]n2)c1 ZINC000781383521 1130716513 /nfs/dbraw/zinc/71/65/13/1130716513.db2.gz KBKHZJLTSFSXBS-UHFFFAOYSA-N 0 1 291.323 3.709 20 0 CHADMN Cc1nc(CNC[C@@H]2CCC3(CCCCC3)O2)sc1C ZINC000691787100 1130717253 /nfs/dbraw/zinc/71/72/53/1130717253.db2.gz CYZGMMWIDCERNV-AWEZNQCLSA-N 0 1 294.464 3.731 20 0 CHADMN C[C@]1(F)CCCN([C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170688576 1130719529 /nfs/dbraw/zinc/71/95/29/1130719529.db2.gz AKXIEDRJFXWGIE-BBRMVZONSA-N 0 1 283.337 3.646 20 0 CHADMN c1cc(-c2csc(CN3CC[C@]34CCOC4)c2)cs1 ZINC001235190527 1130720815 /nfs/dbraw/zinc/72/08/15/1130720815.db2.gz ZHQPEJLJQWHPKL-OAHLLOKOSA-N 0 1 291.441 3.841 20 0 CHADMN CCN(Cc1nc(Cl)ccc1C(F)(F)F)C1CC1 ZINC001235225921 1130724612 /nfs/dbraw/zinc/72/46/12/1130724612.db2.gz DLKACWLQJVWWPV-UHFFFAOYSA-N 0 1 278.705 3.738 20 0 CHADMN CCN(Cc1nnc(-c2cccc(F)c2)o1)CC(C)(C)C ZINC000812893325 1130726118 /nfs/dbraw/zinc/72/61/18/1130726118.db2.gz RFRXCGKVLRIJDO-UHFFFAOYSA-N 0 1 291.370 3.744 20 0 CHADMN CCN(Cc1cc2cccc(F)c2[nH]1)Cc1ccccn1 ZINC001235248507 1130728089 /nfs/dbraw/zinc/72/80/89/1130728089.db2.gz GZGWGBGEJOXMJA-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN Cc1cnc(F)c(CN2CCC[C@H]2c2ccccc2)c1 ZINC001235334281 1130733369 /nfs/dbraw/zinc/73/33/69/1130733369.db2.gz KXUMBIKQFCDWJS-INIZCTEOSA-N 0 1 270.351 3.866 20 0 CHADMN CN(Cc1cc(F)c(F)c(F)c1F)C1CCCC1 ZINC001235355071 1130735568 /nfs/dbraw/zinc/73/55/68/1130735568.db2.gz QGGSEYVZESKBNJ-UHFFFAOYSA-N 0 1 261.262 3.617 20 0 CHADMN CCOc1cc(O)cc(CN(C)Cc2cccc(F)c2)c1 ZINC001235394662 1130738590 /nfs/dbraw/zinc/73/85/90/1130738590.db2.gz VFKIOSBOBLVZSY-UHFFFAOYSA-N 0 1 289.350 3.562 20 0 CHADMN CCCCC1CCN(Cc2c(F)ccc(N)c2F)CC1 ZINC001235431750 1130743335 /nfs/dbraw/zinc/74/33/35/1130743335.db2.gz BZVGTQNTEXGBPH-UHFFFAOYSA-N 0 1 282.378 3.949 20 0 CHADMN Cc1cc(F)c(CN2CC[C@H](C)C2)c(Br)c1 ZINC001235455625 1130745745 /nfs/dbraw/zinc/74/57/45/1130745745.db2.gz CYZZQKXDMDLKET-VIFPVBQESA-N 0 1 286.188 3.738 20 0 CHADMN COc1cc(CN2CCC[C@H]3CCC[C@@H]32)cc(F)c1F ZINC001235450410 1130745808 /nfs/dbraw/zinc/74/58/08/1130745808.db2.gz FUTGIQDMPRFLPR-OCCSQVGLSA-N 0 1 281.346 3.738 20 0 CHADMN C[C@H]1CN(Cc2c[nH]c3cnc(Cl)cc23)CCC1(F)F ZINC001235506738 1130748346 /nfs/dbraw/zinc/74/83/46/1130748346.db2.gz KSFCTDUFFIQTRJ-VIFPVBQESA-N 0 1 299.752 3.693 20 0 CHADMN CCOC(=[NH2+])c1cccc(-c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001235530683 1130752222 /nfs/dbraw/zinc/75/22/22/1130752222.db2.gz DOPVPJSIWZDXGF-DSBZMYGCSA-N 0 1 295.338 3.813 20 0 CHADMN Cc1ncn(C)c1CN(C)Cc1ccc2ccccc2c1 ZINC001235554557 1130753264 /nfs/dbraw/zinc/75/32/64/1130753264.db2.gz CRENLZFYUNMPKN-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN C[C@H]1CC[C@@]2(CCN(Cc3cnc(Cl)s3)C2)C1 ZINC000782106767 1130755187 /nfs/dbraw/zinc/75/51/87/1130755187.db2.gz JMHZIXVCKIAZGF-GXFFZTMASA-N 0 1 270.829 3.809 20 0 CHADMN CCOC(=[NH2+])c1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC001235623882 1130758500 /nfs/dbraw/zinc/75/85/00/1130758500.db2.gz WWIUTMLDTAPFBM-PDTIFBBGSA-N 0 1 295.338 3.813 20 0 CHADMN CC(C)[C@H]1CN(Cc2ccccc2-c2ccncc2)CCO1 ZINC001235620432 1130758688 /nfs/dbraw/zinc/75/86/88/1130758688.db2.gz JCMLDWPXDJYXKM-LJQANCHMSA-N 0 1 296.414 3.605 20 0 CHADMN Cc1cncc(Br)c1CN1CCC12CCCC2 ZINC001235641284 1130759709 /nfs/dbraw/zinc/75/97/09/1130759709.db2.gz DRQOWANXIUPUOJ-UHFFFAOYSA-N 0 1 295.224 3.671 20 0 CHADMN CN(Cc1cccn1C(=O)OC(C)(C)C)CC(C)(C)C ZINC001235633579 1130760303 /nfs/dbraw/zinc/76/03/03/1130760303.db2.gz YQCMFTRCKDEWLM-UHFFFAOYSA-N 0 1 280.412 3.749 20 0 CHADMN CC(C)[C@@H](C)[N@H+](Cc1ccc([O-])c(F)c1)C1CC1 ZINC000813334293 1130761518 /nfs/dbraw/zinc/76/15/18/1130761518.db2.gz DHUFCJCCCIJOJR-LLVKDONJSA-N 0 1 251.345 3.540 20 0 CHADMN CC(C)[C@@H](C)[N@@H+](Cc1ccc([O-])c(F)c1)C1CC1 ZINC000813334293 1130761525 /nfs/dbraw/zinc/76/15/25/1130761525.db2.gz DHUFCJCCCIJOJR-LLVKDONJSA-N 0 1 251.345 3.540 20 0 CHADMN CCOc1cc(C)c(C)cc1-c1nccc2c1CCN2 ZINC001245024819 1130765885 /nfs/dbraw/zinc/76/58/85/1130765885.db2.gz ROYFCHDJEFYCHQ-UHFFFAOYSA-N 0 1 268.360 3.732 20 0 CHADMN Fc1ccc2[nH]c(CN3CCC34CCCCC4)nc2c1 ZINC001235682383 1130768256 /nfs/dbraw/zinc/76/82/56/1130768256.db2.gz JSFHPIWBCKEWMC-UHFFFAOYSA-N 0 1 273.355 3.611 20 0 CHADMN Cc1ccc(CCN(C)Cc2nc3cc(F)ccc3[nH]2)cc1 ZINC001235698859 1130769327 /nfs/dbraw/zinc/76/93/27/1130769327.db2.gz YQSXMXKSJMYOTD-UHFFFAOYSA-N 0 1 297.377 3.685 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1nc2ccc(F)cc2[nH]1 ZINC001235692534 1130770618 /nfs/dbraw/zinc/77/06/18/1130770618.db2.gz DBNATCBQKBCRAO-GFCCVEGCSA-N 0 1 295.361 3.649 20 0 CHADMN COc1nccc(CN2CCCC3(CCCC3)C2)c1Cl ZINC001235831647 1130785242 /nfs/dbraw/zinc/78/52/42/1130785242.db2.gz DPPARTWGJFJVFM-UHFFFAOYSA-N 0 1 294.826 3.900 20 0 CHADMN CCC/C=C\COC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000813908263 1130796956 /nfs/dbraw/zinc/79/69/56/1130796956.db2.gz ZBJRVGGMXNRQCR-UITAMQMPSA-N 0 1 284.359 3.898 20 0 CHADMN Cc1nc2c[nH]cc(-c3ccc(Cl)cc3C)c-2n1 ZINC001245086462 1130807338 /nfs/dbraw/zinc/80/73/38/1130807338.db2.gz OJRTZXVNEWEXHZ-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN Cc1nc2c(cncc2-c2ccc(Cl)cc2C)[nH]1 ZINC001245086462 1130807344 /nfs/dbraw/zinc/80/73/44/1130807344.db2.gz OJRTZXVNEWEXHZ-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@H](C)c1nccnc1C)CCC2 ZINC000783253049 1130807764 /nfs/dbraw/zinc/80/77/64/1130807764.db2.gz FUKIJUCFNSBZQJ-DYVFJYSZSA-N 0 1 297.402 3.522 20 0 CHADMN CNc1ccc(CN2CCc3cc(Cl)ccc3C2)cc1 ZINC001235946730 1130812380 /nfs/dbraw/zinc/81/23/80/1130812380.db2.gz QRPJSAXEUNXJFI-UHFFFAOYSA-N 0 1 286.806 3.940 20 0 CHADMN Fc1ccc([C@@H](NC[C@H]2CCC=CO2)c2cccnc2)cc1 ZINC000783305596 1130813865 /nfs/dbraw/zinc/81/38/65/1130813865.db2.gz SWQILIYZOSLNKY-QZTJIDSGSA-N 0 1 298.361 3.592 20 0 CHADMN Cc1ccc([C@H](C)Nc2ccnc(C)c2F)c(C)c1 ZINC001170724893 1130821729 /nfs/dbraw/zinc/82/17/29/1130821729.db2.gz GSNJJFAZTHSPNL-LBPRGKRZSA-N 0 1 258.340 3.741 20 0 CHADMN CC(C)Oc1ccnc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235984036 1130823853 /nfs/dbraw/zinc/82/38/53/1130823853.db2.gz IJQMCUNFXJIIBO-UHFFFAOYSA-N 0 1 283.249 3.659 20 0 CHADMN CC(C)OCc1ccc(-c2c(F)cc(F)c(O)c2F)nc1 ZINC001235995486 1130824071 /nfs/dbraw/zinc/82/40/71/1130824071.db2.gz ZGFVFRLJHZPOIN-UHFFFAOYSA-N 0 1 297.276 3.797 20 0 CHADMN Oc1c(F)cc(F)c(-c2cccc(F)c2F)c1F ZINC001235996489 1130824679 /nfs/dbraw/zinc/82/46/79/1130824679.db2.gz VKYHPBWLOYMQCO-UHFFFAOYSA-N 0 1 260.161 3.755 20 0 CHADMN CCOCOc1ccc(CN(C)Cc2ccoc2C)cc1 ZINC000783433931 1130824723 /nfs/dbraw/zinc/82/47/23/1130824723.db2.gz CYJYKLJIRROWIA-UHFFFAOYSA-N 0 1 289.375 3.593 20 0 CHADMN COc1cc(F)cc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235993204 1130825972 /nfs/dbraw/zinc/82/59/72/1130825972.db2.gz FKWGPQQFXHYNMK-UHFFFAOYSA-N 0 1 272.197 3.624 20 0 CHADMN COC(=O)c1cccc(-c2c(F)cc(F)c(O)c2F)c1C ZINC001235996761 1130826572 /nfs/dbraw/zinc/82/65/72/1130826572.db2.gz XQXKJVHCLKEWBN-UHFFFAOYSA-N 0 1 296.244 3.572 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc3cnoc3c2)c1F ZINC001235999123 1130827241 /nfs/dbraw/zinc/82/72/41/1130827241.db2.gz ZTQSQTOBVQSWFT-UHFFFAOYSA-N 0 1 265.190 3.618 20 0 CHADMN COc1ccc(C)cc1-c1c(F)cc(F)c(O)c1F ZINC001235999021 1130827881 /nfs/dbraw/zinc/82/78/81/1130827881.db2.gz URPIMPVICDFMCI-UHFFFAOYSA-N 0 1 268.234 3.794 20 0 CHADMN COc1cccc(C)c1-c1c(F)cc(F)c(O)c1F ZINC001235999202 1130828046 /nfs/dbraw/zinc/82/80/46/1130828046.db2.gz ACCUPJPWKLIJHG-UHFFFAOYSA-N 0 1 268.234 3.794 20 0 CHADMN CN(C)c1ccc(F)cc1-c1c(F)cc(F)c(O)c1F ZINC001236001336 1130830095 /nfs/dbraw/zinc/83/00/95/1130830095.db2.gz WVQCUDKNAFZLIH-UHFFFAOYSA-N 0 1 285.240 3.682 20 0 CHADMN Cc1cc(CN2Cc3ccccc3OC[C@H]2C)c(C)o1 ZINC000783597505 1130842515 /nfs/dbraw/zinc/84/25/15/1130842515.db2.gz NDLDHXOGTGOLEE-GFCCVEGCSA-N 0 1 271.360 3.680 20 0 CHADMN CNc1ccc(CN2CCc3cccc(Cl)c3C2)cc1 ZINC001236079773 1130851732 /nfs/dbraw/zinc/85/17/32/1130851732.db2.gz XXHVEDJCRMYYOF-UHFFFAOYSA-N 0 1 286.806 3.940 20 0 CHADMN CCC(F)(F)CN[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000697569650 1130855857 /nfs/dbraw/zinc/85/58/57/1130855857.db2.gz MSHKOZKBZQTLMQ-RKDXNWHRSA-N 0 1 259.262 3.742 20 0 CHADMN COC(=O)c1cc2ccc(-c3ccc(Cl)cc3)[nH]c-2n1 ZINC001236091278 1130858439 /nfs/dbraw/zinc/85/84/39/1130858439.db2.gz WJTWDHRVORRVFV-UHFFFAOYSA-N 0 1 286.718 3.670 20 0 CHADMN C[C@H](Nc1cc(N)c(F)cn1)c1ccccc1C(F)(F)F ZINC001170738018 1130859387 /nfs/dbraw/zinc/85/93/87/1130859387.db2.gz WJGATEAQZAURCD-QMMMGPOBSA-N 0 1 299.271 3.995 20 0 CHADMN CCCCCCc1ccc(CN2CC[C@H]2NC)s1 ZINC001236166671 1130878962 /nfs/dbraw/zinc/87/89/62/1130878962.db2.gz JBRXXAONMLZRMC-HNNXBMFYSA-N 0 1 266.454 3.622 20 0 CHADMN COc1cc(-c2cc3[nH]cnc3cc2C)cc(C)c1F ZINC001236189590 1130881441 /nfs/dbraw/zinc/88/14/41/1130881441.db2.gz BENYZJSVUOLOQU-UHFFFAOYSA-N 0 1 270.307 3.994 20 0 CHADMN Nc1nc(CN2CCC[C@H]2c2c[nH]c3ccccc32)cs1 ZINC001236195412 1130884594 /nfs/dbraw/zinc/88/45/94/1130884594.db2.gz ZYIRQCOAJDBPTE-HNNXBMFYSA-N 0 1 298.415 3.544 20 0 CHADMN Cc1cccc(C)c1CN1CCC(C(=O)C(F)(F)F)CC1 ZINC000775857207 1130893388 /nfs/dbraw/zinc/89/33/88/1130893388.db2.gz HBTDQVQHUODZIS-UHFFFAOYSA-N 0 1 299.336 3.647 20 0 CHADMN C[C@H](NC[C@@](C)(O)C(F)F)c1cccc(Cl)c1Cl ZINC000698703031 1130894847 /nfs/dbraw/zinc/89/48/47/1130894847.db2.gz KOPDIBDPFRZYJX-JVXZTZIISA-N 0 1 298.160 3.660 20 0 CHADMN COc1c(C)cc([C@H](C)NCc2c[nH]nc2C)cc1Cl ZINC000796825957 1130936046 /nfs/dbraw/zinc/93/60/46/1130936046.db2.gz HWCNYXNVZKEFLX-JTQLQIEISA-N 0 1 293.798 3.539 20 0 CHADMN COc1nc(C(C)C)ccc1-c1cccc2cncn21 ZINC001236447557 1130944401 /nfs/dbraw/zinc/94/44/01/1130944401.db2.gz XLAZUAJUXHGTAB-UHFFFAOYSA-N 0 1 267.332 3.528 20 0 CHADMN CC[C@H]1CCCCN1Cc1ccnc(Br)c1 ZINC000815011822 1130949621 /nfs/dbraw/zinc/94/96/21/1130949621.db2.gz BEVKPEGABPIGNY-LBPRGKRZSA-N 0 1 283.213 3.609 20 0 CHADMN Brc1cc(CN2CCC3(CCCC3)C2)ccn1 ZINC000815054590 1130951806 /nfs/dbraw/zinc/95/18/06/1130951806.db2.gz IWVWNGNPUGSKCJ-UHFFFAOYSA-N 0 1 295.224 3.610 20 0 CHADMN CCc1ccc(C[N@H+]2CCc3c(C)cccc3C2)nc1 ZINC000815036346 1130953240 /nfs/dbraw/zinc/95/32/40/1130953240.db2.gz VKVHWRGDSLPDGI-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN CCc1ccc(CN2CCc3c(C)cccc3C2)nc1 ZINC000815036346 1130953245 /nfs/dbraw/zinc/95/32/45/1130953245.db2.gz VKVHWRGDSLPDGI-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN CCC1(CC)CCN(Cc2ccnc(Br)c2)C1 ZINC000815059738 1130955352 /nfs/dbraw/zinc/95/53/52/1130955352.db2.gz HFUXGVLUCZCTPJ-UHFFFAOYSA-N 0 1 297.240 3.856 20 0 CHADMN Cn1ncc(CNCc2cc3ccccc3s2)c1Cl ZINC000815119865 1130958610 /nfs/dbraw/zinc/95/86/10/1130958610.db2.gz ITSZQGSUHZFQTA-UHFFFAOYSA-N 0 1 291.807 3.578 20 0 CHADMN Cc1nc(C)c(C[N@@H+]2CC=C(c3ccccc3)CC2)o1 ZINC001236595455 1130981796 /nfs/dbraw/zinc/98/17/96/1130981796.db2.gz SOTIZDJLVQJKRS-UHFFFAOYSA-N 0 1 268.360 3.581 20 0 CHADMN Cc1nc(C)c(CN2CC=C(c3ccccc3)CC2)o1 ZINC001236595455 1130981799 /nfs/dbraw/zinc/98/17/99/1130981799.db2.gz SOTIZDJLVQJKRS-UHFFFAOYSA-N 0 1 268.360 3.581 20 0 CHADMN CC[C@H](C)[N@@H+](C)Cc1c(C)cc(Cl)nc1Cl ZINC001236601291 1130981978 /nfs/dbraw/zinc/98/19/78/1130981978.db2.gz DWXWFXLKWFHBPC-VIFPVBQESA-N 0 1 261.196 3.927 20 0 CHADMN CC[C@H](C)N(C)Cc1c(C)cc(Cl)nc1Cl ZINC001236601291 1130981984 /nfs/dbraw/zinc/98/19/84/1130981984.db2.gz DWXWFXLKWFHBPC-VIFPVBQESA-N 0 1 261.196 3.927 20 0 CHADMN Cc1ccc2c(c1)CC[N@H+](Cc1cccc3c1NCC3)C2 ZINC001236604224 1130982034 /nfs/dbraw/zinc/98/20/34/1130982034.db2.gz JNUKPCFAULYZKF-UHFFFAOYSA-N 0 1 278.399 3.521 20 0 CHADMN Cc1cc(Cl)cc(CN2CCC[C@H](C)[C@@H]2C)n1 ZINC001236638835 1130986912 /nfs/dbraw/zinc/98/69/12/1130986912.db2.gz LCJGNBPNGZZLOR-JQWIXIFHSA-N 0 1 252.789 3.664 20 0 CHADMN CCOc1ccc(CN2CCC[C@H]2C)cc1Br ZINC001236659120 1130990313 /nfs/dbraw/zinc/99/03/13/1130990313.db2.gz KEVWTIIAINMVHY-LLVKDONJSA-N 0 1 298.224 3.832 20 0 CHADMN COc1cccc(Br)c1CN(C)CC1CCC1 ZINC001236674682 1130990615 /nfs/dbraw/zinc/99/06/15/1130990615.db2.gz YOAOFHQPRLDPRM-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN Cc1c(F)ccc(CN2CC[C@@]3(C2)CCCCO3)c1Cl ZINC001236707457 1130995300 /nfs/dbraw/zinc/99/53/00/1130995300.db2.gz DAUHLEHWATYQSI-MRXNPFEDSA-N 0 1 297.801 3.933 20 0 CHADMN CCCCC1CC[NH+](Cc2ccc(F)c([O-])c2)CC1 ZINC001236698413 1130995524 /nfs/dbraw/zinc/99/55/24/1130995524.db2.gz IMOJQGHHQMNQNZ-UHFFFAOYSA-N 0 1 265.372 3.934 20 0 CHADMN CC(C)[N@H+](Cc1ccccc1)Cc1ccc(F)c([O-])c1 ZINC001236704649 1130995623 /nfs/dbraw/zinc/99/56/23/1130995623.db2.gz XDZQGJJNHCFJCW-UHFFFAOYSA-N 0 1 273.351 3.942 20 0 CHADMN CC(C)[N@@H+](Cc1ccccc1)Cc1ccc(F)c([O-])c1 ZINC001236704649 1130995627 /nfs/dbraw/zinc/99/56/27/1130995627.db2.gz XDZQGJJNHCFJCW-UHFFFAOYSA-N 0 1 273.351 3.942 20 0 CHADMN [O-]c1cc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)ccc1F ZINC001236706731 1130996348 /nfs/dbraw/zinc/99/63/48/1130996348.db2.gz XLYMQFJSUGQPSL-INIZCTEOSA-N 0 1 299.389 3.986 20 0 CHADMN [O-]c1cc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)ccc1F ZINC001236706731 1130996352 /nfs/dbraw/zinc/99/63/52/1130996352.db2.gz XLYMQFJSUGQPSL-INIZCTEOSA-N 0 1 299.389 3.986 20 0 CHADMN C[N@@H+](Cc1ccc(Br)c([O-])c1)CC1CCCC1 ZINC001236697540 1130996601 /nfs/dbraw/zinc/99/66/01/1130996601.db2.gz FIRSPDOLELLWBP-UHFFFAOYSA-N 0 1 298.224 3.777 20 0 CHADMN C[N@H+](Cc1ccc(Br)c([O-])c1)CC1CCCC1 ZINC001236697540 1130996604 /nfs/dbraw/zinc/99/66/04/1130996604.db2.gz FIRSPDOLELLWBP-UHFFFAOYSA-N 0 1 298.224 3.777 20 0 CHADMN [O-]c1cc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)ccc1F ZINC001236705663 1130996824 /nfs/dbraw/zinc/99/68/24/1130996824.db2.gz PERPYXBULBRFFW-INIZCTEOSA-N 0 1 285.362 3.596 20 0 CHADMN [O-]c1cc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)ccc1F ZINC001236705663 1130996825 /nfs/dbraw/zinc/99/68/25/1130996825.db2.gz PERPYXBULBRFFW-INIZCTEOSA-N 0 1 285.362 3.596 20 0 CHADMN [O-]c1cc(C[NH+]2CCCCCCCC2)ccc1F ZINC001236707608 1130997388 /nfs/dbraw/zinc/99/73/88/1130997388.db2.gz JAAZUINZHFHLJU-UHFFFAOYSA-N 0 1 251.345 3.688 20 0 CHADMN Cc1c(F)ccc(CN2CC[C@]3(CCCO3)C2)c1Cl ZINC001236709431 1130997600 /nfs/dbraw/zinc/99/76/00/1130997600.db2.gz WIDDBLNBBKPTEF-OAHLLOKOSA-N 0 1 283.774 3.542 20 0 CHADMN C[C@]1(F)CCN(Cc2cccc3ccoc32)C[C@@H]1F ZINC001236731170 1131000896 /nfs/dbraw/zinc/00/08/96/1131000896.db2.gz XDUZRUFICLKMGV-ZFWWWQNUSA-N 0 1 265.303 3.705 20 0 CHADMN CN(Cc1cnc2ccccn12)Cc1cccc2occc21 ZINC001236735188 1131001226 /nfs/dbraw/zinc/00/12/26/1131001226.db2.gz NQBNHJOZDYLREP-UHFFFAOYSA-N 0 1 291.354 3.713 20 0 CHADMN C[C@H](NCc1cccc(F)n1)c1cccc(C2CC2)c1 ZINC000815598260 1131005967 /nfs/dbraw/zinc/00/59/67/1131005967.db2.gz QEKZQPXHNXZRBH-LBPRGKRZSA-N 0 1 270.351 3.949 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000815597262 1131006516 /nfs/dbraw/zinc/00/65/16/1131006516.db2.gz RBLRVLAKTMJROZ-XHDPSFHLSA-N 0 1 273.355 3.585 20 0 CHADMN CCc1nc(C)c(CN[C@H](C)c2ccc(F)cc2C)o1 ZINC000815628827 1131012204 /nfs/dbraw/zinc/01/22/04/1131012204.db2.gz LJHLPXJSZAUUGI-LLVKDONJSA-N 0 1 276.355 3.844 20 0 CHADMN COc1cc(CN2CCCC[C@@H](C)C2)c(F)cc1F ZINC001236817386 1131013522 /nfs/dbraw/zinc/01/35/22/1131013522.db2.gz LOZFRWCNPKLQBY-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN CCc1noc(C)c1CN[C@@H](C)c1ccc(F)cc1C ZINC000815641144 1131014246 /nfs/dbraw/zinc/01/42/46/1131014246.db2.gz QRQWORXWHCUCMR-NSHDSACASA-N 0 1 276.355 3.844 20 0 CHADMN Cc1cccc(C)c1-c1cccc(CN2CC3(COC3)C2)c1 ZINC001236824452 1131014662 /nfs/dbraw/zinc/01/46/62/1131014662.db2.gz RYPQGOFBBKGMFP-UHFFFAOYSA-N 0 1 293.410 3.803 20 0 CHADMN COc1cc(CN2CC[C@H]3CCC[C@H]3C2)c(F)cc1F ZINC001236819582 1131014953 /nfs/dbraw/zinc/01/49/53/1131014953.db2.gz DPFWEUBIDBKPIQ-NEPJUHHUSA-N 0 1 281.346 3.595 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(OC)c(F)cc1F ZINC001236835554 1131018740 /nfs/dbraw/zinc/01/87/40/1131018740.db2.gz RCUOTZPKBOJLMW-GFCCVEGCSA-N 0 1 269.335 3.738 20 0 CHADMN CC1=CCCN([C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000797999707 1131020579 /nfs/dbraw/zinc/02/05/79/1131020579.db2.gz XDFPVKAHVLLUFS-OAHLLOKOSA-N 0 1 294.398 3.819 20 0 CHADMN Cc1cccc(CN2CC[C@@H]3CCCO[C@H]3C2)c1Cl ZINC001236855934 1131023530 /nfs/dbraw/zinc/02/35/30/1131023530.db2.gz JUOGJLYRQWOAAY-ZFWWWQNUSA-N 0 1 279.811 3.649 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1ccc(F)c2ccoc21 ZINC001236889140 1131027901 /nfs/dbraw/zinc/02/79/01/1131027901.db2.gz ABPDEHVTBVFGIK-MWLCHTKSSA-N 0 1 251.276 3.504 20 0 CHADMN CC1(C)CN(Cc2ccc(-c3ccc(F)cc3F)nc2)C1 ZINC001237010499 1131036196 /nfs/dbraw/zinc/03/61/96/1131036196.db2.gz GBLRYTZRODQYIJ-UHFFFAOYSA-N 0 1 288.341 3.869 20 0 CHADMN C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccc(F)c(N3CCCC3)c2)C1 ZINC001237094254 1131049552 /nfs/dbraw/zinc/04/95/52/1131049552.db2.gz BIZJXYGRCFFICI-ZFWWWQNUSA-N 0 1 294.389 3.606 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2ccc(F)c(N3CCCC3)c2)C1 ZINC001237094254 1131049557 /nfs/dbraw/zinc/04/95/57/1131049557.db2.gz BIZJXYGRCFFICI-ZFWWWQNUSA-N 0 1 294.389 3.606 20 0 CHADMN CN(Cc1cccnc1)Cc1ccnc2c(Cl)cccc12 ZINC001237145106 1131058216 /nfs/dbraw/zinc/05/82/16/1131058216.db2.gz WDTPPVUNYPBRBU-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN F[C@H]1CN(Cc2ccnc3c(Cl)cccc23)C[C@@H]2C[C@@H]21 ZINC001237151381 1131060007 /nfs/dbraw/zinc/06/00/07/1131060007.db2.gz VGTCMCCSOYCPCH-WHOFXGATSA-N 0 1 290.769 3.678 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@H]1CCCc3cccnc31)CCC2 ZINC000798932318 1131061282 /nfs/dbraw/zinc/06/12/82/1131061282.db2.gz KPNHPKZOWYVITB-DZGCQCFKSA-N 0 1 299.443 3.891 20 0 CHADMN COc1cccc(CN(C)Cc2ccc(F)c(F)c2C)c1 ZINC001237161781 1131061825 /nfs/dbraw/zinc/06/18/25/1131061825.db2.gz QTJHHVLQZKNFKZ-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN Cc1cccc(F)c1CN[C@H](c1cncc(F)c1)C1CC1 ZINC000798928733 1131061861 /nfs/dbraw/zinc/06/18/61/1131061861.db2.gz DCIGFYXIQVGRMT-KRWDZBQOSA-N 0 1 288.341 3.909 20 0 CHADMN CN(Cc1ccccc1Cl)CC1OC=CC1=S ZINC001237177691 1131063549 /nfs/dbraw/zinc/06/35/49/1131063549.db2.gz FNSJVAHRNUICSZ-UHFFFAOYSA-N 0 1 267.781 3.854 20 0 CHADMN c1cc2c(o1)CCN(Cc1ccc3cccccc1-3)C2 ZINC001237193092 1131068507 /nfs/dbraw/zinc/06/85/07/1131068507.db2.gz MAWCTOQFETXGDE-UHFFFAOYSA-N 0 1 263.340 3.943 20 0 CHADMN O=C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc2cccccc1-2 ZINC001237193562 1131069276 /nfs/dbraw/zinc/06/92/76/1131069276.db2.gz QPCZEWIXQHSNSJ-CALCHBBNSA-N 0 1 279.383 3.877 20 0 CHADMN c1cc2n(c1)CCN(Cc1ccc3cccccc1-3)C2 ZINC001237191161 1131069452 /nfs/dbraw/zinc/06/94/52/1131069452.db2.gz RHHMVTRZULPYNM-UHFFFAOYSA-N 0 1 262.356 3.609 20 0 CHADMN Cc1cc(F)cc(CN2CCNC3=CCCC[C@@H]32)c1Cl ZINC001237228339 1131071818 /nfs/dbraw/zinc/07/18/18/1131071818.db2.gz JKSKZUVEEMAQBY-HNNXBMFYSA-N 0 1 294.801 3.629 20 0 CHADMN Clc1cc(Cl)cc(CN2CCNC3=CCCC[C@@H]32)c1 ZINC001237218078 1131072782 /nfs/dbraw/zinc/07/27/82/1131072782.db2.gz DYVBZMZSYDPABS-HNNXBMFYSA-N 0 1 297.229 3.835 20 0 CHADMN COc1nc(Cl)ccc1CN1CCC[C@H]2CCCC[C@@H]21 ZINC001237242399 1131073681 /nfs/dbraw/zinc/07/36/81/1131073681.db2.gz FARXVKZXMWQQEA-OCCSQVGLSA-N 0 1 294.826 3.898 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CC[C@@H](c2ccccn2)C1 ZINC000799195131 1131076315 /nfs/dbraw/zinc/07/63/15/1131076315.db2.gz WGGFKFOVDDLEIX-CHWSQXEVSA-N 0 1 288.341 3.910 20 0 CHADMN CC[C@H]1CCCN(Cc2ccncc2C(F)(F)F)C1 ZINC001237296219 1131079836 /nfs/dbraw/zinc/07/98/36/1131079836.db2.gz XZBVPBXCEMWTKN-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN Cc1cc(F)cc(C)c1CN1CCC[C@@](C)(F)C1 ZINC001237317348 1131081483 /nfs/dbraw/zinc/08/14/83/1131081483.db2.gz LFWWMQOQVUUKIC-OAHLLOKOSA-N 0 1 253.336 3.767 20 0 CHADMN COC1(C)CCN(Cc2c(F)ccc(C)c2Cl)CC1 ZINC001138022603 1131085041 /nfs/dbraw/zinc/08/50/41/1131085041.db2.gz GFBHXTUYDRENNO-UHFFFAOYSA-N 0 1 285.790 3.788 20 0 CHADMN CCCCC[C@H](CC)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000816407206 1131085935 /nfs/dbraw/zinc/08/59/35/1131085935.db2.gz RUSLMRQTYTVDLQ-LBPRGKRZSA-N 0 1 295.427 3.752 20 0 CHADMN CCCCC[C@H](CC)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000816407206 1131085942 /nfs/dbraw/zinc/08/59/42/1131085942.db2.gz RUSLMRQTYTVDLQ-LBPRGKRZSA-N 0 1 295.427 3.752 20 0 CHADMN CC[C@@H](C)CCCCC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000816407834 1131086400 /nfs/dbraw/zinc/08/64/00/1131086400.db2.gz QXDYRJACWUPDIJ-GFCCVEGCSA-N 0 1 295.427 3.752 20 0 CHADMN CC[C@@H](C)CCCCC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000816407834 1131086405 /nfs/dbraw/zinc/08/64/05/1131086405.db2.gz QXDYRJACWUPDIJ-GFCCVEGCSA-N 0 1 295.427 3.752 20 0 CHADMN CCCC[C@H](CC)CC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000816406960 1131086705 /nfs/dbraw/zinc/08/67/05/1131086705.db2.gz JDYXUHSRTXBXLT-LBPRGKRZSA-N 0 1 295.427 3.752 20 0 CHADMN CCCC[C@H](CC)CC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000816406960 1131086712 /nfs/dbraw/zinc/08/67/12/1131086712.db2.gz JDYXUHSRTXBXLT-LBPRGKRZSA-N 0 1 295.427 3.752 20 0 CHADMN CCc1cccc(C)c1C[N@@H+](C)Cc1cccnc1 ZINC001237336561 1131087722 /nfs/dbraw/zinc/08/77/22/1131087722.db2.gz XHVROXSIORTELU-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN CCc1cccc(C)c1CN(C)Cc1cccnc1 ZINC001237336561 1131087728 /nfs/dbraw/zinc/08/77/28/1131087728.db2.gz XHVROXSIORTELU-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN COc1ccc(C)c(-c2cc(O)c(F)c(F)c2F)c1 ZINC001245638379 1131096840 /nfs/dbraw/zinc/09/68/40/1131096840.db2.gz IAVDWHIARXUORE-UHFFFAOYSA-N 0 1 268.234 3.794 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1Cc1cnn(C)c1Cl ZINC000816486824 1131098277 /nfs/dbraw/zinc/09/82/77/1131098277.db2.gz STVODDNMUWPFSB-HNNXBMFYSA-N 0 1 289.810 3.719 20 0 CHADMN CN(CCc1ccccc1F)Cc1cccc(O)c1Cl ZINC000816495602 1131100940 /nfs/dbraw/zinc/10/09/40/1131100940.db2.gz BOWXIJXDTQABTK-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN CC(C)c1cccc(CN2CC3(C2)C[C@@H](F)CS3)c1 ZINC001237462499 1131102622 /nfs/dbraw/zinc/10/26/22/1131102622.db2.gz MCSHMNUKHWRUJI-OAHLLOKOSA-N 0 1 279.424 3.839 20 0 CHADMN Cc1csc2nc(C)nc(-c3c(O)cccc3F)c12 ZINC001245652661 1131103294 /nfs/dbraw/zinc/10/32/94/1131103294.db2.gz AHWKPAOJWNETAV-UHFFFAOYSA-N 0 1 274.320 3.820 20 0 CHADMN Cc1cc(CN(C)CC(C)C)c(Br)cc1F ZINC001237506207 1131106050 /nfs/dbraw/zinc/10/60/50/1131106050.db2.gz SBMNMMIQPFUUFF-UHFFFAOYSA-N 0 1 288.204 3.984 20 0 CHADMN Fc1cccc2c(CN3C[C@@H]4C[C@@H]4[C@H](F)C3)cccc12 ZINC001237515381 1131107709 /nfs/dbraw/zinc/10/77/09/1131107709.db2.gz UTLIYUBIHYUJJN-YLQAJVPDSA-N 0 1 273.326 3.769 20 0 CHADMN CN(Cc1ccn2nccc2c1)Cc1cccc(Cl)c1 ZINC001237541144 1131113293 /nfs/dbraw/zinc/11/32/93/1131113293.db2.gz PATIHAMEMMCUGH-UHFFFAOYSA-N 0 1 285.778 3.620 20 0 CHADMN C[C@@H]1CN(Cc2ccc(OC(F)F)c(Cl)c2)[C@@H]1C ZINC000816648227 1131118731 /nfs/dbraw/zinc/11/87/31/1131118731.db2.gz HASGCEYLTTZFMN-RKDXNWHRSA-N 0 1 275.726 3.782 20 0 CHADMN C[C@H](CN1C[C@H](C)[C@@H]1C)c1cccc(Br)c1 ZINC000816648493 1131118930 /nfs/dbraw/zinc/11/89/30/1131118930.db2.gz LJCDJQHQHXKUOR-TUAOUCFPSA-N 0 1 282.225 3.893 20 0 CHADMN CCOc1cc(CN2C[C@@H](C)[C@@H]2C)ccc1OC(F)F ZINC000816649476 1131120149 /nfs/dbraw/zinc/12/01/49/1131120149.db2.gz ZXAZBJBINDRVFS-MNOVXSKESA-N 0 1 285.334 3.527 20 0 CHADMN Cc1ccnc2cccc(CN3CCn4cccc4[C@H]3C)c12 ZINC001237628405 1131120911 /nfs/dbraw/zinc/12/09/11/1131120911.db2.gz FXAJNKODOZVYSU-OAHLLOKOSA-N 0 1 291.398 3.922 20 0 CHADMN Cc1ccnc(C)c1-c1cc(Cl)c(O)cc1F ZINC001245671086 1131122596 /nfs/dbraw/zinc/12/25/96/1131122596.db2.gz CXBNCYYRZDGRLX-UHFFFAOYSA-N 0 1 251.688 3.864 20 0 CHADMN CCc1n[nH]cc1CN1CCC[C@H]1c1cccc(Cl)c1 ZINC001237653235 1131124872 /nfs/dbraw/zinc/12/48/72/1131124872.db2.gz ISDFVUUYIIABIQ-INIZCTEOSA-N 0 1 289.810 3.963 20 0 CHADMN CCc1[nH]ncc1C[N@@H+](C)[C@@H](CC)c1ccccc1 ZINC001237659424 1131124932 /nfs/dbraw/zinc/12/49/32/1131124932.db2.gz OMXYZSDCTPHQFJ-INIZCTEOSA-N 0 1 257.381 3.555 20 0 CHADMN CCc1n[nH]cc1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC001237660210 1131125370 /nfs/dbraw/zinc/12/53/70/1131125370.db2.gz XAGNFVWQCSPLRT-UHFFFAOYSA-N 0 1 297.324 3.623 20 0 CHADMN CCCCCC[C@H](CC)C(=O)Nc1nc(C(C)C)n[nH]1 ZINC001116083811 1131127701 /nfs/dbraw/zinc/12/77/01/1131127701.db2.gz GIQNNMWYWKAYAG-LBPRGKRZSA-N 0 1 280.416 3.863 20 0 CHADMN CCCCCC[C@H](CC)C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001116083811 1131127703 /nfs/dbraw/zinc/12/77/03/1131127703.db2.gz GIQNNMWYWKAYAG-LBPRGKRZSA-N 0 1 280.416 3.863 20 0 CHADMN Cc1c(Cl)ccc(-c2cc3[nH]cnc3cn2)c1C ZINC001245686033 1131128355 /nfs/dbraw/zinc/12/83/55/1131128355.db2.gz GNGHIKRBKUCAFM-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN COc1ccc(C)c(C[N@H+]2CCc3sccc3C2)c1 ZINC001237709667 1131131198 /nfs/dbraw/zinc/13/11/98/1131131198.db2.gz PGCTVMKSQSYISP-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN COc1ccc(C)c(CN2CCc3sccc3C2)c1 ZINC001237709667 1131131200 /nfs/dbraw/zinc/13/12/00/1131131200.db2.gz PGCTVMKSQSYISP-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN COc1ccc(C)c(CN2CCc3c(cccc3OC)C2)c1 ZINC001237712417 1131131779 /nfs/dbraw/zinc/13/17/79/1131131779.db2.gz CAGCESVSLWBRLM-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN COc1ccc(C)c(CN2CCc3ccc(OC)cc3C2)c1 ZINC001237710308 1131131967 /nfs/dbraw/zinc/13/19/67/1131131967.db2.gz UPQAPRXECKUOFU-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN Cc1ccc(F)c(C[N@H+]2CCC3(C2)CCOCC3)c1Cl ZINC001138027615 1131132461 /nfs/dbraw/zinc/13/24/61/1131132461.db2.gz ARVYYXRXVUKEPR-UHFFFAOYSA-N 0 1 297.801 3.790 20 0 CHADMN Cc1ccc(F)c(CN2CCC3(C2)CCOCC3)c1Cl ZINC001138027615 1131132462 /nfs/dbraw/zinc/13/24/62/1131132462.db2.gz ARVYYXRXVUKEPR-UHFFFAOYSA-N 0 1 297.801 3.790 20 0 CHADMN Cc1cc(CN(C)Cc2ccccn2)ccc1OC(C)C ZINC001237716128 1131132507 /nfs/dbraw/zinc/13/25/07/1131132507.db2.gz HUEVRSGUYCECRJ-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN COc1cc(Nc2cccc3[nH]ncc32)cc(F)c1F ZINC001159574864 1131133350 /nfs/dbraw/zinc/13/33/50/1131133350.db2.gz ZHPGVDAIHCYRSJ-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN Cc1ccc2nc(NC(=O)C=C(C3CC3)C3CC3)[nH]c2c1 ZINC000817017148 1131136618 /nfs/dbraw/zinc/13/66/18/1131136618.db2.gz BCZASCBOOALKBL-UHFFFAOYSA-N 0 1 281.359 3.556 20 0 CHADMN CC/C(C)=C(\C)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000817018056 1131136878 /nfs/dbraw/zinc/13/68/78/1131136878.db2.gz MNWOANBFJMUSOZ-ZHACJKMWSA-N 0 1 257.337 3.556 20 0 CHADMN Cc1nc2cncc(-c3c(F)ccc(Cl)c3F)c2[nH]1 ZINC001245722782 1131138204 /nfs/dbraw/zinc/13/82/04/1131138204.db2.gz CDYRVMKWWYLUQI-UHFFFAOYSA-N 0 1 279.677 3.865 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1cccc2c1OCC2 ZINC001237749607 1131138158 /nfs/dbraw/zinc/13/81/58/1131138158.db2.gz PKFBIVDSGJGWDQ-AWEZNQCLSA-N 0 1 297.398 3.823 20 0 CHADMN CCO[C@H]1CCCN(Cc2ccc(Cl)c(CC)c2)C1 ZINC001237746542 1131138330 /nfs/dbraw/zinc/13/83/30/1131138330.db2.gz SSDYYWNJRPFDTD-HNNXBMFYSA-N 0 1 281.827 3.903 20 0 CHADMN CCC[C@H]1CCCCN1Cc1ccc(OC)nc1Cl ZINC001237803374 1131142584 /nfs/dbraw/zinc/14/25/84/1131142584.db2.gz PHTYWHULUFQXKX-ZDUSSCGKSA-N 0 1 282.815 3.898 20 0 CHADMN CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(F)c(C)n1 ZINC001237828180 1131143809 /nfs/dbraw/zinc/14/38/09/1131143809.db2.gz QHOPMWHXHOWYCI-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1ccc(F)c(C)n1 ZINC001237828180 1131143814 /nfs/dbraw/zinc/14/38/14/1131143814.db2.gz QHOPMWHXHOWYCI-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN Cc1nc(CN2CCC(c3ccccc3)CC2)ccc1F ZINC001237817685 1131144136 /nfs/dbraw/zinc/14/41/36/1131144136.db2.gz GYJFFHLZTHHLNL-UHFFFAOYSA-N 0 1 284.378 3.909 20 0 CHADMN Cc1nc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)ccc1F ZINC001237823045 1131144439 /nfs/dbraw/zinc/14/44/39/1131144439.db2.gz YPCFHQNTGUPMLW-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3cccc(F)c3)C2)ccc1F ZINC001237823045 1131144443 /nfs/dbraw/zinc/14/44/43/1131144443.db2.gz YPCFHQNTGUPMLW-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN COc1cccc(CN(C)C(C)(C)C)c1Br ZINC001237862074 1131145145 /nfs/dbraw/zinc/14/51/45/1131145145.db2.gz RHGMRTSVGUFWDB-UHFFFAOYSA-N 0 1 286.213 3.688 20 0 CHADMN CC[C@H](C)[C@H](C)N(C(=O)c1ccc2cncn2c1C)C1CC1 ZINC001116490105 1131149926 /nfs/dbraw/zinc/14/99/26/1131149926.db2.gz ZPJHPLWUNUYHJZ-STQMWFEESA-N 0 1 299.418 3.682 20 0 CHADMN CCCOc1cc(F)ccc1CN1CCC(C)(F)CC1 ZINC001237902749 1131150758 /nfs/dbraw/zinc/15/07/58/1131150758.db2.gz AGVUPFSAXNCLLN-UHFFFAOYSA-N 0 1 283.362 3.939 20 0 CHADMN CCN(CC)Cc1csc(-c2cccc(F)c2)n1 ZINC001237976798 1131156225 /nfs/dbraw/zinc/15/62/25/1131156225.db2.gz TVMRNGIKIFWOHD-UHFFFAOYSA-N 0 1 264.369 3.791 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CCC23CCCC3)cc1Cl ZINC001237985444 1131156478 /nfs/dbraw/zinc/15/64/78/1131156478.db2.gz YDSHRRZQSRVPQL-UHFFFAOYSA-N 0 1 269.747 3.703 20 0 CHADMN CCCCC[C@H](C)Cc1nc([C@@H]2CN3CCC2CC3)no1 ZINC001116610256 1131157007 /nfs/dbraw/zinc/15/70/07/1131157007.db2.gz RXUWWQLRZIBJJX-DZGCQCFKSA-N 0 1 291.439 3.638 20 0 CHADMN CCCCC[N@@H+](C)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237989778 1131157722 /nfs/dbraw/zinc/15/77/22/1131157722.db2.gz KUNGSFBFBQQJMG-UHFFFAOYSA-N 0 1 259.752 3.807 20 0 CHADMN CN(Cc1csc(-c2ccc(O)cc2)n1)CC(C)(C)C ZINC001237979832 1131157857 /nfs/dbraw/zinc/15/78/57/1131157857.db2.gz KBGIPGSZCHBFKO-UHFFFAOYSA-N 0 1 290.432 3.994 20 0 CHADMN C[N@@H+](Cc1ccccc1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237983480 1131158065 /nfs/dbraw/zinc/15/80/65/1131158065.db2.gz AUAYILYMEYAZRA-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001237984064 1131158095 /nfs/dbraw/zinc/15/80/95/1131158095.db2.gz LGYYVFJFDOLWEQ-NWDGAFQWSA-N 0 1 283.774 3.807 20 0 CHADMN Oc1c(F)cc(CN2CCCC[C@@H](F)C2)cc1Cl ZINC001237985381 1131158476 /nfs/dbraw/zinc/15/84/76/1131158476.db2.gz WKTPEKGXLVEZER-SNVBAGLBSA-N 0 1 275.726 3.509 20 0 CHADMN Cc1c(C(=O)N2CC(C)(C)CC(C)(C)C2)ccc2cncn21 ZINC001116640263 1131159130 /nfs/dbraw/zinc/15/91/30/1131159130.db2.gz LSXVNCZYIQJFEI-UHFFFAOYSA-N 0 1 299.418 3.541 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2[nH]nc3cc(Cl)ccc32)C1 ZINC001237994712 1131159709 /nfs/dbraw/zinc/15/97/09/1131159709.db2.gz YYJLPHQFMSHIKK-OAHLLOKOSA-N 0 1 295.789 3.930 20 0 CHADMN C[C@@]1(F)CCCN(Cc2n[nH]c3cc(Cl)ccc32)C1 ZINC001237994837 1131160101 /nfs/dbraw/zinc/16/01/01/1131160101.db2.gz ZZPGYKLOCZNLGN-CQSZACIVSA-N 0 1 281.762 3.540 20 0 CHADMN CN(Cc1cncc(Cl)c1Cl)CC1CCC1 ZINC001238009025 1131161272 /nfs/dbraw/zinc/16/12/72/1131161272.db2.gz OUJKZTYMDJJAIW-UHFFFAOYSA-N 0 1 259.180 3.620 20 0 CHADMN CCCC1CCC(N(C)C(=O)c2cnc(C(C)C)[nH]2)CC1 ZINC001116769315 1131163749 /nfs/dbraw/zinc/16/37/49/1131163749.db2.gz ISRPLFORNDSANQ-UHFFFAOYSA-N 0 1 291.439 3.964 20 0 CHADMN CC(C)c1ocnc1CN1CC[C@H](c2cccc(F)c2)C1 ZINC001116819577 1131165427 /nfs/dbraw/zinc/16/54/27/1131165427.db2.gz IBAXDYLIFBTJCG-AWEZNQCLSA-N 0 1 288.366 3.927 20 0 CHADMN CCN(CC)Cc1cc(F)cc(Br)c1F ZINC001238077146 1131167814 /nfs/dbraw/zinc/16/78/14/1131167814.db2.gz VKVRZQMJYLVPAC-UHFFFAOYSA-N 0 1 278.140 3.569 20 0 CHADMN CCOc1cc(C[N@@H+](CC)Cc2ccccn2)ccc1C ZINC001238072333 1131168320 /nfs/dbraw/zinc/16/83/20/1131168320.db2.gz SCPAYWRIMMSLNI-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN CCOc1cc(CN(CC)Cc2ccccn2)ccc1C ZINC001238072333 1131168322 /nfs/dbraw/zinc/16/83/22/1131168322.db2.gz SCPAYWRIMMSLNI-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN C[C@H](NC(=O)C(F)F)c1cc(Cl)cc(Cl)c1F ZINC000830380074 1131169421 /nfs/dbraw/zinc/16/94/21/1131169421.db2.gz ALNMQROIVYJYEL-BYPYZUCNSA-N 0 1 286.080 3.575 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC001238146731 1131174961 /nfs/dbraw/zinc/17/49/61/1131174961.db2.gz YUFMERLCTTUGKC-AWEZNQCLSA-N 0 1 295.382 3.640 20 0 CHADMN CCc1nc(CN[C@@H](C)Cc2ccc(F)cc2Cl)co1 ZINC000817590564 1131175414 /nfs/dbraw/zinc/17/54/14/1131175414.db2.gz YLHABROLFDSQQZ-JTQLQIEISA-N 0 1 296.773 3.750 20 0 CHADMN Cc1ncncc1CN1CCC(Sc2ccccc2)CC1 ZINC001238177194 1131176517 /nfs/dbraw/zinc/17/65/17/1131176517.db2.gz FIXKCLOETRXHAU-UHFFFAOYSA-N 0 1 299.443 3.542 20 0 CHADMN c1ccc2c(c1)CCN(Cc1cncc(C3CC3)c1)C2 ZINC001238188448 1131178308 /nfs/dbraw/zinc/17/83/08/1131178308.db2.gz VPJQFQNHSCHZRS-UHFFFAOYSA-N 0 1 264.372 3.517 20 0 CHADMN O=C(Nc1cccc(C2CC2)n1)c1c(O)cccc1Cl ZINC000817768851 1131183741 /nfs/dbraw/zinc/18/37/41/1131183741.db2.gz OYSVYNTVYGMNMQ-UHFFFAOYSA-N 0 1 288.734 3.570 20 0 CHADMN CC(=O)[C@H]1CCCN(Cc2ccc(Cl)c(C)c2C)C1 ZINC001238220027 1131183829 /nfs/dbraw/zinc/18/38/29/1131183829.db2.gz SZNNIPKGCUSLOD-HNNXBMFYSA-N 0 1 279.811 3.758 20 0 CHADMN C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC001238234977 1131186450 /nfs/dbraw/zinc/18/64/50/1131186450.db2.gz ZPBOJGRKUYFSMW-LBPRGKRZSA-N 0 1 299.345 3.643 20 0 CHADMN COC[C@H]1CCCN1Cc1cc(Cl)c(Cl)cc1C ZINC001238264225 1131187192 /nfs/dbraw/zinc/18/71/92/1131187192.db2.gz SAVNPICVGPECNW-GFCCVEGCSA-N 0 1 288.218 3.913 20 0 CHADMN Cc1cc(CN2CCC3(CCOC3)CC2)c(F)cc1Cl ZINC001238299435 1131188636 /nfs/dbraw/zinc/18/86/36/1131188636.db2.gz NNRXMVOADZMYDM-UHFFFAOYSA-N 0 1 297.801 3.790 20 0 CHADMN COc1ccc(Cl)cc1-c1cccc2nc[nH]c21 ZINC001245815054 1131189269 /nfs/dbraw/zinc/18/92/69/1131189269.db2.gz ZFGSVNWVBSMLFY-UHFFFAOYSA-N 0 1 258.708 3.892 20 0 CHADMN C[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3F)CCC1(F)F ZINC001117625911 1131189680 /nfs/dbraw/zinc/18/96/80/1131189680.db2.gz GKDHKEFIEDRMLO-QMTHXVAHSA-N 0 1 269.310 3.790 20 0 CHADMN CCN(Cc1c(F)ccc(Cl)c1OC)C(C)C ZINC001238334688 1131191332 /nfs/dbraw/zinc/19/13/32/1131191332.db2.gz JDZIOYQYMKWNMO-UHFFFAOYSA-N 0 1 259.752 3.718 20 0 CHADMN CCOc1ccc(CN2CC[C@@H](OC)C[C@@H]2C)c(Cl)c1 ZINC001238401648 1131196118 /nfs/dbraw/zinc/19/61/18/1131196118.db2.gz BYEUJAJEXGQKOW-GXTWGEPZSA-N 0 1 297.826 3.738 20 0 CHADMN COc1ccc(CN(C)Cc2cc(C)c(Cl)cn2)cc1 ZINC001238417942 1131197661 /nfs/dbraw/zinc/19/76/61/1131197661.db2.gz BEUCSUQRYLEMMC-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN Cc1cc(CN2C3CCCC2CCC3)ncc1Cl ZINC001238429391 1131199361 /nfs/dbraw/zinc/19/93/61/1131199361.db2.gz IQWNMJZBYWLXGV-UHFFFAOYSA-N 0 1 264.800 3.950 20 0 CHADMN Cc1cnc(CN2CCSc3ccccc3C2)c(C)c1 ZINC001238435140 1131200446 /nfs/dbraw/zinc/20/04/46/1131200446.db2.gz JKPKMYXEKKPTRN-UHFFFAOYSA-N 0 1 284.428 3.806 20 0 CHADMN Cc1cnc(CN(C)Cc2ccc(Cl)cc2)c(C)c1 ZINC001238433427 1131200538 /nfs/dbraw/zinc/20/05/38/1131200538.db2.gz NPNHEIFNJQCCMX-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CC(C)Oc1cccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c1F ZINC001238431414 1131200557 /nfs/dbraw/zinc/20/05/57/1131200557.db2.gz ZVXXXKQWFAFZMM-IHRRRGAJSA-N 0 1 281.346 3.545 20 0 CHADMN Cc1cnc(CN2CCC[C@@H]2c2ccc(C)nc2)c(C)c1 ZINC001238441132 1131200932 /nfs/dbraw/zinc/20/09/32/1131200932.db2.gz OEXQHCZCDFFODE-GOSISDBHSA-N 0 1 281.403 3.739 20 0 CHADMN CO[C@H]1CCN(Cc2ccc(OC(C)C)cc2F)[C@@H](C)C1 ZINC001238448234 1131202129 /nfs/dbraw/zinc/20/21/29/1131202129.db2.gz OEZOJPGGYDIQDJ-ZFWWWQNUSA-N 0 1 295.398 3.612 20 0 CHADMN C[C@@H]([NH3+])c1ccc(-c2c(F)ccc([O-])c2Cl)cc1 ZINC001245832748 1131202988 /nfs/dbraw/zinc/20/29/88/1131202988.db2.gz UJBCAHCNUWKVPO-MRVPVSSYSA-N 0 1 265.715 3.871 20 0 CHADMN CC(C)Oc1cncc(CN2Cc3ccccc3[C@H](C)C2)c1 ZINC001238461343 1131203788 /nfs/dbraw/zinc/20/37/88/1131203788.db2.gz GTAGOVORFVSOSL-OAHLLOKOSA-N 0 1 296.414 3.988 20 0 CHADMN COc1c(CN2CCC[C@@H](C)[C@H]2C)ccc(F)c1F ZINC001238476985 1131205189 /nfs/dbraw/zinc/20/51/89/1131205189.db2.gz LHIDNWTZBHVGJI-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN COc1c(CN2[C@H](C)CCC[C@H]2C)ccc(F)c1F ZINC001238472860 1131206088 /nfs/dbraw/zinc/20/60/88/1131206088.db2.gz CFVMSFICPPKFAE-GHMZBOCLSA-N 0 1 269.335 3.736 20 0 CHADMN COc1cnc(CN2[C@H](C)CCC[C@H]2C)c(Cl)c1 ZINC001238481844 1131207539 /nfs/dbraw/zinc/20/75/39/1131207539.db2.gz GUZJUGMHNXJQKK-GHMZBOCLSA-N 0 1 268.788 3.507 20 0 CHADMN CC(C)Oc1c(F)ccc(CN2C[C@H]3CC[C@@H]2C3)c1F ZINC001238530409 1131213236 /nfs/dbraw/zinc/21/32/36/1131213236.db2.gz XABUSTMEHJGGMB-WCQYABFASA-N 0 1 281.346 3.736 20 0 CHADMN CC[C@@H]1CCN(Cc2ccc(F)c(OC(C)C)c2F)C1 ZINC001238535184 1131214024 /nfs/dbraw/zinc/21/40/24/1131214024.db2.gz GBYSLHWZAVRJCK-GFCCVEGCSA-N 0 1 283.362 3.984 20 0 CHADMN CCCN(C)Cc1c(C)cc(F)cc1Br ZINC001238565498 1131216977 /nfs/dbraw/zinc/21/69/77/1131216977.db2.gz GUHFQYURXRFNGZ-UHFFFAOYSA-N 0 1 274.177 3.738 20 0 CHADMN COc1cc(C)cc(F)c1CN1CCC(C)(C)CC1 ZINC001238585867 1131218279 /nfs/dbraw/zinc/21/82/79/1131218279.db2.gz PAMHKVHVAVMOII-UHFFFAOYSA-N 0 1 265.372 3.765 20 0 CHADMN CC(C)Oc1cc(CN2CCC[C@H](C)[C@H]2C)cnc1F ZINC001238591369 1131219648 /nfs/dbraw/zinc/21/96/48/1131219648.db2.gz BCCQSTYSSYLUQC-QWHCGFSZSA-N 0 1 280.387 3.628 20 0 CHADMN COc1cc(C)cc(F)c1CN1CCCCC12CC2 ZINC001238596119 1131219916 /nfs/dbraw/zinc/21/99/16/1131219916.db2.gz RUHPEXXEDVIQKC-UHFFFAOYSA-N 0 1 263.356 3.661 20 0 CHADMN CC[C@@H]1CCCN(Cc2cnc(F)c(OC(C)C)c2)C1 ZINC001238605383 1131222167 /nfs/dbraw/zinc/22/21/67/1131222167.db2.gz ZNUWSZOZBYZRNA-CYBMUJFWSA-N 0 1 280.387 3.630 20 0 CHADMN CC(=O)[C@@H]1CCCN1Cc1cc(C)cnc1-c1ccccc1 ZINC001238615319 1131222523 /nfs/dbraw/zinc/22/25/23/1131222523.db2.gz CBWZVKJBTPAVRL-SFHVURJKSA-N 0 1 294.398 3.610 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2CF)cnc1-c1ccccc1 ZINC001238619559 1131222633 /nfs/dbraw/zinc/22/26/33/1131222633.db2.gz RIWIXNZLYUHEDX-QGZVFWFLSA-N 0 1 284.378 3.991 20 0 CHADMN CC(=O)[C@@H]1CCCN1Cc1c(C)cc(OC(C)C)cc1C ZINC001238673505 1131228890 /nfs/dbraw/zinc/22/88/90/1131228890.db2.gz LJMXPMGATQOPFJ-SFHVURJKSA-N 0 1 289.419 3.644 20 0 CHADMN Fc1cccc(CN2CC3CCC2CC3)c1OC(F)F ZINC001118496116 1131229329 /nfs/dbraw/zinc/22/93/29/1131229329.db2.gz NVUXDHRBDKQELQ-UHFFFAOYSA-N 0 1 285.309 3.802 20 0 CHADMN CCCCCC[C@@H](C)C(=O)Nc1cc(N(C)C)ccn1 ZINC001137800232 1131417906 /nfs/dbraw/zinc/41/79/06/1131417906.db2.gz YOAYXGJBDDMAPJ-CYBMUJFWSA-N 0 1 277.412 3.693 20 0 CHADMN CSc1ccc(C)c(NC(=O)c2cc(C(F)F)n[nH]2)c1 ZINC001137821072 1131419685 /nfs/dbraw/zinc/41/96/85/1131419685.db2.gz WSKRKYAAHWVVMR-UHFFFAOYSA-N 0 1 297.330 3.630 20 0 CHADMN CC(C)(C)[C@H]1CCCN1Cc1ccnc(Cl)c1F ZINC000823432024 1131425684 /nfs/dbraw/zinc/42/56/84/1131425684.db2.gz BQMYMTGRQDVFPO-LLVKDONJSA-N 0 1 270.779 3.885 20 0 CHADMN Cc1cccc2c1CCN(Cc1cc3cccnc3o1)C2 ZINC000823437630 1131427260 /nfs/dbraw/zinc/42/72/60/1131427260.db2.gz OWASZNXSAYJFIR-UHFFFAOYSA-N 0 1 278.355 3.695 20 0 CHADMN COc1ccccc1C1(NCc2ccc(CF)cc2)CC1 ZINC000829702241 1131430261 /nfs/dbraw/zinc/43/02/61/1131430261.db2.gz HIHMYULAJRMIFD-UHFFFAOYSA-N 0 1 285.362 3.944 20 0 CHADMN Cc1ccc([C@H](C)NCc2cc(F)ncc2F)s1 ZINC000823697454 1131437637 /nfs/dbraw/zinc/43/76/37/1131437637.db2.gz KDPQKDMSYNZYPR-VIFPVBQESA-N 0 1 268.332 3.581 20 0 CHADMN CN(Cc1ccc(F)c(F)c1F)CC1CC(F)(F)C1 ZINC001137940105 1131439329 /nfs/dbraw/zinc/43/93/29/1131439329.db2.gz GTTNNFGXVCEDFG-UHFFFAOYSA-N 0 1 279.252 3.581 20 0 CHADMN Cc1cnc(N[C@@H]2CCc3ccc(O)cc3C2)c2[nH]ccc21 ZINC001171026635 1131439843 /nfs/dbraw/zinc/43/98/43/1131439843.db2.gz CBOVMXZYLBUFFI-CQSZACIVSA-N 0 1 293.370 3.546 20 0 CHADMN F[C@@H]1CCCN([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171042967 1131452114 /nfs/dbraw/zinc/45/21/14/1131452114.db2.gz BYXWWYHPBWNFSV-OLZOCXBDSA-N 0 1 267.775 3.631 20 0 CHADMN C[C@@H](N[C@H]1CCc2cc(F)c(F)c(F)c21)c1ccc[nH]1 ZINC000824051163 1131452325 /nfs/dbraw/zinc/45/23/25/1131452325.db2.gz SQZUFSDVNVJZTN-PELKAZGASA-N 0 1 280.293 3.770 20 0 CHADMN Cc1ccc(F)c(CN2CCCC[C@@](C)(O)C2)c1Cl ZINC001138022890 1131452671 /nfs/dbraw/zinc/45/26/71/1131452671.db2.gz QFPZPEPHJWKNOH-OAHLLOKOSA-N 0 1 285.790 3.524 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@@](C)(CO)CC2)c1Cl ZINC001138023019 1131452799 /nfs/dbraw/zinc/45/27/99/1131452799.db2.gz WOVSALAWDAIVIT-MRXNPFEDSA-N 0 1 299.817 3.772 20 0 CHADMN COCC1CCN(Cc2c(F)ccc(C)c2Cl)CC1 ZINC001138022953 1131452951 /nfs/dbraw/zinc/45/29/51/1131452951.db2.gz SXSDOSGWNNDEKD-UHFFFAOYSA-N 0 1 285.790 3.646 20 0 CHADMN CC[C@H](CC(F)(F)F)NCc1ccnc(Cl)c1F ZINC000824172012 1131458016 /nfs/dbraw/zinc/45/80/16/1131458016.db2.gz JUHVETLHRXZHRW-MRVPVSSYSA-N 0 1 284.684 3.695 20 0 CHADMN CC[C@@H](CC(F)(F)F)NCc1ccnc(Cl)c1F ZINC000824172013 1131458121 /nfs/dbraw/zinc/45/81/21/1131458121.db2.gz JUHVETLHRXZHRW-QMMMGPOBSA-N 0 1 284.684 3.695 20 0 CHADMN CN(Cc1nccs1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171051563 1131460836 /nfs/dbraw/zinc/46/08/36/1131460836.db2.gz WTEPOSGWVJJGBX-LBPRGKRZSA-N 0 1 292.835 3.786 20 0 CHADMN CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(C(F)(F)F)c1O ZINC001136854586 1131463342 /nfs/dbraw/zinc/46/33/42/1131463342.db2.gz CPLRUZCWWRELDO-RKDXNWHRSA-N 0 1 289.297 3.575 20 0 CHADMN CCOc1cccc(CN(CC)Cc2cccnc2)c1 ZINC001138099954 1131463911 /nfs/dbraw/zinc/46/39/11/1131463911.db2.gz FFRGACZXUDQELY-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN CCOc1cccc(CN(C)CCC(=O)c2ccccc2)c1 ZINC001138099957 1131464574 /nfs/dbraw/zinc/46/45/74/1131464574.db2.gz FLLYWQGIYLWCPO-UHFFFAOYSA-N 0 1 297.398 3.790 20 0 CHADMN Cc1ccc2nc(CNC(=O)O[C@@H](C)CC(C)C)[nH]c2c1 ZINC000830760213 1131466919 /nfs/dbraw/zinc/46/69/19/1131466919.db2.gz RWGXOSJXHQMIHC-LBPRGKRZSA-N 0 1 289.379 3.532 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1ccnc(Cl)c1F ZINC000824395419 1131467488 /nfs/dbraw/zinc/46/74/88/1131467488.db2.gz FVCQYPRTVPJTKZ-ONGXEEELSA-N 0 1 256.752 3.637 20 0 CHADMN Cc1ccc(F)c(CN2CCC3(CC3)CC2)c1F ZINC001138115733 1131467728 /nfs/dbraw/zinc/46/77/28/1131467728.db2.gz QAGQFXCKTIPROQ-UHFFFAOYSA-N 0 1 251.320 3.649 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H](C)C[C@@H]2C)c1F ZINC001138119740 1131468650 /nfs/dbraw/zinc/46/86/50/1131468650.db2.gz RFQBRSYKNGBZNV-PWSUYJOCSA-N 0 1 253.336 3.894 20 0 CHADMN CN(Cc1cnc[nH]1)Cc1ccc(Oc2ccccc2)cc1 ZINC001136871757 1131469631 /nfs/dbraw/zinc/46/96/31/1131469631.db2.gz HAUASECXRCMIST-UHFFFAOYSA-N 0 1 293.370 3.834 20 0 CHADMN Fc1cc(F)c2c(c1)[C@H](NCc1ccc(F)nc1)CCC2 ZINC000824468902 1131471725 /nfs/dbraw/zinc/47/17/25/1131471725.db2.gz RTBOTXBZEKBFPX-OAHLLOKOSA-N 0 1 292.304 3.666 20 0 CHADMN Cc1cc(CN[C@@H]2C[C@@H](C)Oc3ccccc32)c(C)o1 ZINC000824649138 1131477007 /nfs/dbraw/zinc/47/70/07/1131477007.db2.gz BLDPECRMTNZOET-MLGOLLRUSA-N 0 1 271.360 3.898 20 0 CHADMN Cc1ccc2c(CN3CCc4c(O)cccc4C3)c[nH]c2c1 ZINC001136969275 1131488565 /nfs/dbraw/zinc/48/85/65/1131488565.db2.gz JRFJOAMUIFJXPG-UHFFFAOYSA-N 0 1 292.382 3.740 20 0 CHADMN C[C@H]1COCCN1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001138311284 1131489287 /nfs/dbraw/zinc/48/92/87/1131489287.db2.gz YJVMIKNEMFAZHZ-ZDUSSCGKSA-N 0 1 286.419 3.686 20 0 CHADMN CC(C)(C)c1[nH]c2ccccc2c1CN1C[C@H]2CC[C@@H]1CO2 ZINC001138315475 1131490031 /nfs/dbraw/zinc/49/00/31/1131490031.db2.gz IAGYTBNEZFJPSW-ZIAGYGMSSA-N 0 1 298.430 3.829 20 0 CHADMN CCc1cccc2c(CN3CCCC(=O)[C@@H](C)C3)c[nH]c21 ZINC001138360186 1131493582 /nfs/dbraw/zinc/49/35/82/1131493582.db2.gz ORULAFKOMPBHDU-ZDUSSCGKSA-N 0 1 284.403 3.531 20 0 CHADMN CCc1nc(CN[C@@H](C)CCc2cccc(C)c2)co1 ZINC000825057403 1131496958 /nfs/dbraw/zinc/49/69/58/1131496958.db2.gz MUCRZGKVGOSLBX-AWEZNQCLSA-N 0 1 272.392 3.656 20 0 CHADMN COc1cccc(F)c1CN(C)CCc1cccs1 ZINC001138384115 1131497434 /nfs/dbraw/zinc/49/74/34/1131497434.db2.gz MTGTWSNMIDSLDG-UHFFFAOYSA-N 0 1 279.380 3.570 20 0 CHADMN Cc1c2ccccc2[nH]c1CN(C)Cc1ccncc1 ZINC001138397617 1131498238 /nfs/dbraw/zinc/49/82/38/1131498238.db2.gz XPVALULJSLUNRE-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN Cc1c2ccccc2[nH]c1CN1CCC[C@H]1c1cnccn1 ZINC001138401066 1131499300 /nfs/dbraw/zinc/49/93/00/1131499300.db2.gz ARRJCWTYOOVQGB-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1c2cc(F)ccc2[nH]c1CN1CC2(CCC2)C1 ZINC001138409563 1131500160 /nfs/dbraw/zinc/50/01/60/1131500160.db2.gz APGPPEPQEWZEBR-UHFFFAOYSA-N 0 1 258.340 3.601 20 0 CHADMN Cc1c2cc(F)ccc2[nH]c1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001138410346 1131500376 /nfs/dbraw/zinc/50/03/76/1131500376.db2.gz ACYCQLVCYMENBZ-JKOKRWQUSA-N 0 1 276.330 3.548 20 0 CHADMN COc1ncc(CN2CCc3ccccc3[C@@H]2C)cc1C ZINC001137000506 1131501233 /nfs/dbraw/zinc/50/12/33/1131501233.db2.gz XQFNXPCAVHDAPR-AWEZNQCLSA-N 0 1 282.387 3.518 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1cncc(Cl)c1 ZINC001136996543 1131501247 /nfs/dbraw/zinc/50/12/47/1131501247.db2.gz OEOWQFBJQMOFLU-VMPITWQZSA-N 0 1 272.779 3.880 20 0 CHADMN Cc1ccc2[nH]c(CN(C)Cc3ccncc3)cc2c1 ZINC001138417903 1131501738 /nfs/dbraw/zinc/50/17/38/1131501738.db2.gz DGJXIGAAMSKUDW-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN COc1ncc(CN(C)Cc2cccc(Cl)c2)cc1C ZINC001137004971 1131502806 /nfs/dbraw/zinc/50/28/06/1131502806.db2.gz UQQKJFDRJACELX-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN COc1ncc(CN2CC=C(c3ccccc3)CC2)cc1C ZINC001137007973 1131503302 /nfs/dbraw/zinc/50/33/02/1131503302.db2.gz NZLIZUQQLCXEGP-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN Cc1c2ccccc2sc1CN1CCOCC1(C)C ZINC001138460063 1131508370 /nfs/dbraw/zinc/50/83/70/1131508370.db2.gz CGGVSLAGQARXPN-UHFFFAOYSA-N 0 1 275.417 3.821 20 0 CHADMN Cc1c2ccccc2sc1CN1C[C@@H](C)OC[C@H]1C ZINC001138463453 1131509479 /nfs/dbraw/zinc/50/94/79/1131509479.db2.gz JGCYJJRIPZJWJI-VXGBXAGGSA-N 0 1 275.417 3.819 20 0 CHADMN Cc1c2ccccc2sc1CN1CCOCC12CCC2 ZINC001138463650 1131509922 /nfs/dbraw/zinc/50/99/22/1131509922.db2.gz KNUVHKYICXLBQG-UHFFFAOYSA-N 0 1 287.428 3.965 20 0 CHADMN COc1ccc(CN2CC(c3ccccc3)C2)cc1Cl ZINC001138476086 1131510857 /nfs/dbraw/zinc/51/08/57/1131510857.db2.gz YPWWJSJSPKYGOG-UHFFFAOYSA-N 0 1 287.790 3.948 20 0 CHADMN CN(C)c1ccc(CN(Cc2ccco2)C2CC2)s1 ZINC001138492942 1131512450 /nfs/dbraw/zinc/51/24/50/1131512450.db2.gz HARPOXUCTSPVFB-UHFFFAOYSA-N 0 1 276.405 3.572 20 0 CHADMN COc1ccc(-c2ccc(CN3CCOC[C@@H]3C)cc2)cc1 ZINC001138515091 1131515764 /nfs/dbraw/zinc/51/57/64/1131515764.db2.gz KAMMIQQFMNDDSU-HNNXBMFYSA-N 0 1 297.398 3.583 20 0 CHADMN CCCc1ccc(CN(C)C2CC(F)(F)C2)s1 ZINC001138523965 1131516221 /nfs/dbraw/zinc/51/62/21/1131516221.db2.gz UTUQVPHNBGXLSW-UHFFFAOYSA-N 0 1 259.365 3.930 20 0 CHADMN CC/C=C(\F)C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831884677 1131517819 /nfs/dbraw/zinc/51/78/19/1131517819.db2.gz JLCVFTPCMHTILD-UHJIQDEKSA-N 0 1 293.386 3.503 20 0 CHADMN CC/C(C)=C/C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831884717 1131517871 /nfs/dbraw/zinc/51/78/71/1131517871.db2.gz JWNSFMSWPZNFRP-KADHNRKRSA-N 0 1 289.423 3.595 20 0 CHADMN CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC001143641556 1131520618 /nfs/dbraw/zinc/52/06/18/1131520618.db2.gz NUUHPCRIXWEBCH-UKRRQHHQSA-N 0 1 299.418 3.898 20 0 CHADMN C(c1nnc(C2CC2)s1)N1CCCCCCCC1 ZINC000831937254 1131521831 /nfs/dbraw/zinc/52/18/31/1131521831.db2.gz OPCNGQPJHAJFPH-UHFFFAOYSA-N 0 1 265.426 3.572 20 0 CHADMN Cc1cnc(CN2CCC[C@@H]2C(C)C)cc1Br ZINC001143668277 1131522862 /nfs/dbraw/zinc/52/28/62/1131522862.db2.gz UABFZQFUQGDHKL-CQSZACIVSA-N 0 1 297.240 3.773 20 0 CHADMN CC(=O)[C@H]1CCCN(Cc2cc(C)ccc2C(F)(F)F)C1 ZINC001143680855 1131523403 /nfs/dbraw/zinc/52/34/03/1131523403.db2.gz LOUFVZFWJFGBSG-ZDUSSCGKSA-N 0 1 299.336 3.815 20 0 CHADMN Cc1ccc(C(F)(F)F)c(CN2CCCO[C@H](C)C2)c1 ZINC001143672651 1131523876 /nfs/dbraw/zinc/52/38/76/1131523876.db2.gz OJCMUPYHLJEFQQ-GFCCVEGCSA-N 0 1 287.325 3.625 20 0 CHADMN CCN(Cc1cccc(-c2ccc(OC)cc2)c1)C1COC1 ZINC001138615367 1131526443 /nfs/dbraw/zinc/52/64/43/1131526443.db2.gz LTMCVTAPAQMUDI-UHFFFAOYSA-N 0 1 297.398 3.583 20 0 CHADMN CCCn1ncc(CN2CCc3ccccc3[C@@H]2C)c1C ZINC001138636810 1131530777 /nfs/dbraw/zinc/53/07/77/1131530777.db2.gz JIQTUWXVPNOOBF-HNNXBMFYSA-N 0 1 283.419 3.721 20 0 CHADMN CN(Cc1c(Cl)[nH]c2ccccc21)C[C@@H]1CCCCO1 ZINC001138688253 1131536756 /nfs/dbraw/zinc/53/67/56/1131536756.db2.gz WTXYKPPZJLNQMB-LBPRGKRZSA-N 0 1 292.810 3.822 20 0 CHADMN CSc1ncc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)cn1 ZINC001138710183 1131539147 /nfs/dbraw/zinc/53/91/47/1131539147.db2.gz ZHYREYRMBJCICI-OAHLLOKOSA-N 0 1 291.464 3.601 20 0 CHADMN COc1cc(Cl)cc(CN2CCC[C@@H](C)[C@@H]2C)c1OC ZINC001138746825 1131545175 /nfs/dbraw/zinc/54/51/75/1131545175.db2.gz OZTQQAICJHETQT-NEPJUHHUSA-N 0 1 297.826 3.978 20 0 CHADMN O[C@@H](CN1CCC12CCCC2)c1ccccc1C(F)(F)F ZINC000844275711 1131545751 /nfs/dbraw/zinc/54/57/51/1131545751.db2.gz GFPHSHILFMTHBW-AWEZNQCLSA-N 0 1 299.336 3.757 20 0 CHADMN O[C@H](CN1CCC12CCCC2)c1ccc(F)cc1Cl ZINC000844276370 1131545861 /nfs/dbraw/zinc/54/58/61/1131545861.db2.gz QCKYGTIZNCHXRO-CQSZACIVSA-N 0 1 283.774 3.531 20 0 CHADMN C[C@]1(F)CCN([C@@H]2CCc3cc(Cl)ccc3C2)C[C@H]1F ZINC001171116255 1131548029 /nfs/dbraw/zinc/54/80/29/1131548029.db2.gz MDCITPPVDJUQGM-OAGGEKHMSA-N 0 1 299.792 3.969 20 0 CHADMN Cc1ccccc1[C@H](O)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000832230625 1131548171 /nfs/dbraw/zinc/54/81/71/1131548171.db2.gz CTICBGKALXBWNJ-AEFFLSMTSA-N 0 1 297.398 3.849 20 0 CHADMN Cc1ccc([C@H](O)CN2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000832231849 1131548369 /nfs/dbraw/zinc/54/83/69/1131548369.db2.gz NJXBDSXAPCAMEF-AEFFLSMTSA-N 0 1 297.398 3.849 20 0 CHADMN COc1ccc(CN2C3CCCC2CCC3)c(F)c1F ZINC001143915626 1131553780 /nfs/dbraw/zinc/55/37/80/1131553780.db2.gz LSOWLMHSJCLGLH-UHFFFAOYSA-N 0 1 281.346 3.880 20 0 CHADMN CC[C@@H]1CCCN(Cc2ccc(OC)c(F)c2F)C1 ZINC001143915041 1131554318 /nfs/dbraw/zinc/55/43/18/1131554318.db2.gz RFJLPKRVQZOQMV-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN C[C@@H](CSc1ccccc1)N(C)Cc1ccc(F)cn1 ZINC000844362068 1131555049 /nfs/dbraw/zinc/55/50/49/1131555049.db2.gz XEKLABHDAYIJDX-ZDUSSCGKSA-N 0 1 290.407 3.833 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(Br)o2)C[C@@H]1C ZINC001138903611 1131559431 /nfs/dbraw/zinc/55/94/31/1131559431.db2.gz DHPQTRVGYHCLMZ-MNOVXSKESA-N 0 1 286.213 3.910 20 0 CHADMN CC(C)c1cnc(CN2CCc3ccccc3[C@@H](C)C2)o1 ZINC000844425348 1131561026 /nfs/dbraw/zinc/56/10/26/1131561026.db2.gz QZXITMLVFIDGSH-AWEZNQCLSA-N 0 1 284.403 3.960 20 0 CHADMN CCCCOc1cccc(CN2C[C@H](F)C[C@H]2C)c1 ZINC001138952091 1131563900 /nfs/dbraw/zinc/56/39/00/1131563900.db2.gz IZQPAZAQGXQOLK-UKRRQHHQSA-N 0 1 265.372 3.798 20 0 CHADMN COc1ccc(F)c(CN2CCC[C@@H](C)[C@H]2C)c1F ZINC001143977664 1131564561 /nfs/dbraw/zinc/56/45/61/1131564561.db2.gz LPXHQQANTPBAHE-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN COC[C@@H]1CCCN1Cc1cc(Cl)ccc1OC(C)C ZINC001138957506 1131565297 /nfs/dbraw/zinc/56/52/97/1131565297.db2.gz HEZTUJODZVUNOO-HNNXBMFYSA-N 0 1 297.826 3.738 20 0 CHADMN CCN(CCOC)Cc1cc(Cl)ccc1OC(C)C ZINC001138957853 1131565415 /nfs/dbraw/zinc/56/54/15/1131565415.db2.gz PMCCZBLZPPGBOV-UHFFFAOYSA-N 0 1 285.815 3.596 20 0 CHADMN CC(C)COc1ccc(CN2C[C@@H](C)[C@@H](F)C2)cc1 ZINC001138970444 1131567748 /nfs/dbraw/zinc/56/77/48/1131567748.db2.gz YRNIWYZVVKCWSL-CJNGLKHVSA-N 0 1 265.372 3.511 20 0 CHADMN C[C@H]1CCC(C)(C)N1Cc1cccc(Br)n1 ZINC000832565568 1131568541 /nfs/dbraw/zinc/56/85/41/1131568541.db2.gz VJHMNZHRUFMCOR-JTQLQIEISA-N 0 1 283.213 3.607 20 0 CHADMN c1ncn2c1CN(CC1CCC3(CCCCC3)CC1)CC2 ZINC001206116014 1131568964 /nfs/dbraw/zinc/56/89/64/1131568964.db2.gz KWKCXYPUUFSNQA-UHFFFAOYSA-N 0 1 287.451 3.839 20 0 CHADMN CCOc1c(F)cc(CN2CCC[C@H](F)CC2)cc1F ZINC001144021421 1131572292 /nfs/dbraw/zinc/57/22/92/1131572292.db2.gz HHQWQIADGMSVJS-LBPRGKRZSA-N 0 1 287.325 3.688 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CC[C@H](OC)C[C@H]1C ZINC001139012390 1131572498 /nfs/dbraw/zinc/57/24/98/1131572498.db2.gz OMIKPYVNLCUDRS-DOMZBBRYSA-N 0 1 297.826 3.738 20 0 CHADMN CCOc1c(F)cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)cc1F ZINC001144026843 1131573054 /nfs/dbraw/zinc/57/30/54/1131573054.db2.gz QWVDXEXYLIYQAY-NEPJUHHUSA-N 0 1 283.362 3.984 20 0 CHADMN CCOc1c(F)cc(CN2CCC[C@@H](C)[C@@H]2C)cc1F ZINC001144026843 1131573057 /nfs/dbraw/zinc/57/30/57/1131573057.db2.gz QWVDXEXYLIYQAY-NEPJUHHUSA-N 0 1 283.362 3.984 20 0 CHADMN Cc1n[nH]c(C)c1CN(Cc1ccccn1)C1CCCCC1 ZINC001139100030 1131582041 /nfs/dbraw/zinc/58/20/41/1131582041.db2.gz CSCKIUDUQKTFHY-UHFFFAOYSA-N 0 1 298.434 3.756 20 0 CHADMN CCn1ccc2ccc(CN3CCC[C@@H]3CF)cc21 ZINC001139119732 1131583335 /nfs/dbraw/zinc/58/33/35/1131583335.db2.gz BFUSETVUNYZFEO-OAHLLOKOSA-N 0 1 260.356 3.595 20 0 CHADMN COc1ccnc(N[C@H](CC(C)C)c2ccccn2)c1 ZINC001160482521 1131584692 /nfs/dbraw/zinc/58/46/92/1131584692.db2.gz KJTRERMBDHUWIV-OAHLLOKOSA-N 0 1 271.364 3.685 20 0 CHADMN Cn1ccc2c1cccc2C[N@H+]1CCc2sccc2C1 ZINC001139155858 1131587992 /nfs/dbraw/zinc/58/79/92/1131587992.db2.gz KDKFSRFLCYAJQH-UHFFFAOYSA-N 0 1 282.412 3.798 20 0 CHADMN CCc1cc(CN2CCC[C@@](C)(F)C2)cc(CC)c1O ZINC001144139604 1131589891 /nfs/dbraw/zinc/58/98/91/1131589891.db2.gz IRTHYSGVTDVNJH-QGZVFWFLSA-N 0 1 279.399 3.841 20 0 CHADMN CCOc1ccc(CN[C@@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC001202903696 1131590065 /nfs/dbraw/zinc/59/00/65/1131590065.db2.gz UFTOCIMVXAEUKR-QZTJIDSGSA-N 0 1 285.362 3.812 20 0 CHADMN CN(CCc1cccnc1)Cc1cc(Cl)c(F)cc1F ZINC001144130609 1131590583 /nfs/dbraw/zinc/59/05/83/1131590583.db2.gz MMPRDZWLLICAOK-UHFFFAOYSA-N 0 1 296.748 3.688 20 0 CHADMN CCCCc1nc(Cl)c(CN2C[C@@H](C)C[C@H](C)C2)[nH]1 ZINC001139179125 1131591863 /nfs/dbraw/zinc/59/18/63/1131591863.db2.gz GOCFGISNZUQWRV-RYUDHWBXSA-N 0 1 283.847 3.884 20 0 CHADMN Cn1ccc2cc(CN3CCC[C@@](C)(F)C3)ccc21 ZINC001139188758 1131592249 /nfs/dbraw/zinc/59/22/49/1131592249.db2.gz NGZUSMVDONAKQL-MRXNPFEDSA-N 0 1 260.356 3.502 20 0 CHADMN CCCCc1nc(Cl)c(CN2CCC[C@@H]2CC)[nH]1 ZINC001139181152 1131593123 /nfs/dbraw/zinc/59/31/23/1131593123.db2.gz KTJRUDMMSDVSHW-NSHDSACASA-N 0 1 269.820 3.780 20 0 CHADMN c1cc2ccc(CN3CCCC[C@H]3c3cccnc3)nc2[nH]1 ZINC001144176709 1131593380 /nfs/dbraw/zinc/59/33/80/1131593380.db2.gz CDWLAQYDCSTFTD-KRWDZBQOSA-N 0 1 292.386 3.685 20 0 CHADMN C[C@H]1CN(Cc2[nH]nc3ccc(F)cc32)Cc2ccccc21 ZINC001144191182 1131595540 /nfs/dbraw/zinc/59/55/40/1131595540.db2.gz HCAHOTQOCPCWNH-LBPRGKRZSA-N 0 1 295.361 3.821 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1[nH]nc3ccc(F)cc31)CC2 ZINC001144191711 1131596093 /nfs/dbraw/zinc/59/60/93/1131596093.db2.gz XFHCDQXLRIYLIG-UHFFFAOYSA-N 0 1 295.361 3.569 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1ccc2cc[nH]c2n1 ZINC001144185684 1131597127 /nfs/dbraw/zinc/59/71/27/1131597127.db2.gz JVSXPEMXDXSNNB-ZDUSSCGKSA-N 0 1 295.386 3.765 20 0 CHADMN C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc2nsnc2c1 ZINC001139207448 1131597402 /nfs/dbraw/zinc/59/74/02/1131597402.db2.gz BFQYPSZQLNFSJK-LBPRGKRZSA-N 0 1 295.411 3.811 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1ccc2nsnc2c1 ZINC001139207448 1131597405 /nfs/dbraw/zinc/59/74/05/1131597405.db2.gz BFQYPSZQLNFSJK-LBPRGKRZSA-N 0 1 295.411 3.811 20 0 CHADMN Cn1ccc2ccc(CN3CCc4ccc(F)cc4C3)cc21 ZINC001139207312 1131597785 /nfs/dbraw/zinc/59/77/85/1131597785.db2.gz YTRVBECQHFWEOO-UHFFFAOYSA-N 0 1 294.373 3.876 20 0 CHADMN C[C@@H]1CN(Cc2sccc2Br)C2(CC2)C1 ZINC001139314935 1131601317 /nfs/dbraw/zinc/60/13/17/1131601317.db2.gz VWIGPSVMLKNSMZ-VIFPVBQESA-N 0 1 286.238 3.885 20 0 CHADMN c1[nH]c(-c2ccccc2)nc1CN1CCCCC12CC2 ZINC001139555469 1131616586 /nfs/dbraw/zinc/61/65/86/1131616586.db2.gz YXPSPCVZHYIWSF-UHFFFAOYSA-N 0 1 267.376 3.595 20 0 CHADMN CCc1cccc(CN2CCc3ccc(OC)cc3C2)c1 ZINC001144319240 1131617591 /nfs/dbraw/zinc/61/75/91/1131617591.db2.gz VQZQATRMUZHZAH-UHFFFAOYSA-N 0 1 281.399 3.816 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H](CF)C2)cc1Cl ZINC001139595829 1131619325 /nfs/dbraw/zinc/61/93/25/1131619325.db2.gz AFFKAWGGOZAUNI-ZDUSSCGKSA-N 0 1 285.790 3.920 20 0 CHADMN COc1cc(C[N@H+]2CC[C@@](C)(CF)C2)ccc1Cl ZINC001139612139 1131621559 /nfs/dbraw/zinc/62/15/59/1131621559.db2.gz ODHRJUWUDKMHMK-AWEZNQCLSA-N 0 1 271.763 3.530 20 0 CHADMN COc1cc(CN2CC[C@@](C)(CF)C2)ccc1Cl ZINC001139612139 1131621564 /nfs/dbraw/zinc/62/15/64/1131621564.db2.gz ODHRJUWUDKMHMK-AWEZNQCLSA-N 0 1 271.763 3.530 20 0 CHADMN C[C@H]1CCCN(Cc2ccc(O)cc2C(F)(F)F)C1 ZINC001144377955 1131622670 /nfs/dbraw/zinc/62/26/70/1131622670.db2.gz MNJLICKZGOIZJY-JTQLQIEISA-N 0 1 273.298 3.643 20 0 CHADMN CC(C)[C@@H]1CN(Cc2ccc(-c3cccnc3)cc2)CCO1 ZINC001139644897 1131625813 /nfs/dbraw/zinc/62/58/13/1131625813.db2.gz UOXQXHZJDTZTCS-IBGZPJMESA-N 0 1 296.414 3.605 20 0 CHADMN c1cncc(-c2ccc(CN3CCCCC34COC4)cc2)c1 ZINC001139647148 1131626602 /nfs/dbraw/zinc/62/66/02/1131626602.db2.gz KTYNNSIICAFFEG-UHFFFAOYSA-N 0 1 294.398 3.504 20 0 CHADMN Cc1cc(O)cc(C)c1C[N@@H+](C)Cc1ccccc1F ZINC001139714166 1131630922 /nfs/dbraw/zinc/63/09/22/1131630922.db2.gz SPRMPUYGHVVZIM-UHFFFAOYSA-N 0 1 273.351 3.780 20 0 CHADMN Cc1cc(O)cc(C)c1CN(C)Cc1ccccc1F ZINC001139714166 1131630925 /nfs/dbraw/zinc/63/09/25/1131630925.db2.gz SPRMPUYGHVVZIM-UHFFFAOYSA-N 0 1 273.351 3.780 20 0 CHADMN COc1cccc(C[N@@H+](C)Cc2c(C)cc(O)cc2C)c1 ZINC001139714370 1131631058 /nfs/dbraw/zinc/63/10/58/1131631058.db2.gz ZRNKGDHWWLGPSE-UHFFFAOYSA-N 0 1 285.387 3.650 20 0 CHADMN CC(C)(C)c1cc(CN2CC(CO)C2)cc(C(C)(C)C)c1 ZINC001139712966 1131631436 /nfs/dbraw/zinc/63/14/36/1131631436.db2.gz PPZWVIZXGPYNBX-UHFFFAOYSA-N 0 1 289.463 3.706 20 0 CHADMN COc1ncc(Cl)cc1CN1CCC[C@H]2CCC[C@H]21 ZINC001139749187 1131634878 /nfs/dbraw/zinc/63/48/78/1131634878.db2.gz OSKACIPZCQTTIX-BXUZGUMPSA-N 0 1 280.799 3.508 20 0 CHADMN COCc1ccc(CN2CCC[C@H]2c2ccccn2)s1 ZINC001139827060 1131640248 /nfs/dbraw/zinc/64/02/48/1131640248.db2.gz MLJADDDEFOWKON-INIZCTEOSA-N 0 1 288.416 3.627 20 0 CHADMN C[C@@H]1CCN(Cc2ccncc2Cl)CCC1(F)F ZINC001139845417 1131641065 /nfs/dbraw/zinc/64/10/65/1131641065.db2.gz ACYKCIXWUGHLPA-SNVBAGLBSA-N 0 1 274.742 3.602 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1ccc(C)cn1 ZINC001139840313 1131641530 /nfs/dbraw/zinc/64/15/30/1131641530.db2.gz LXCJSHTXOBXMLM-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN c1ccc(C2CC2)c(CN2CCc3ccncc3C2)c1 ZINC001139882375 1131645012 /nfs/dbraw/zinc/64/50/12/1131645012.db2.gz IXMAKLGLIGVIEA-UHFFFAOYSA-N 0 1 264.372 3.517 20 0 CHADMN O=C1CC[N@@H+](Cc2ccccc2C2CC2)[C@@H]2CCCC[C@@H]12 ZINC001139880066 1131645839 /nfs/dbraw/zinc/64/58/39/1131645839.db2.gz XFCOSIWRMADPRY-QZTJIDSGSA-N 0 1 283.415 3.898 20 0 CHADMN O=C1CCN(Cc2ccccc2C2CC2)[C@@H]2CCCC[C@@H]12 ZINC001139880066 1131645843 /nfs/dbraw/zinc/64/58/43/1131645843.db2.gz XFCOSIWRMADPRY-QZTJIDSGSA-N 0 1 283.415 3.898 20 0 CHADMN C[C@@H]1CN(Cc2ccc(F)c3ccccc23)CCCC1=O ZINC001139889738 1131647357 /nfs/dbraw/zinc/64/73/57/1131647357.db2.gz KEJDFIIUXCILIA-CYBMUJFWSA-N 0 1 285.362 3.780 20 0 CHADMN C[C@H]1CN(Cc2ccc(F)c3ccccc23)CCCC1=O ZINC001139889739 1131647421 /nfs/dbraw/zinc/64/74/21/1131647421.db2.gz KEJDFIIUXCILIA-ZDUSSCGKSA-N 0 1 285.362 3.780 20 0 CHADMN C[C@@H](C1CCCCC1)N(C)C(=O)c1cc(F)cc(F)c1O ZINC001139910427 1131650815 /nfs/dbraw/zinc/65/08/15/1131650815.db2.gz GKBYTCRUFUDUNV-JTQLQIEISA-N 0 1 297.345 3.711 20 0 CHADMN CCN(Cc1ccc(C)c(C)c1)Cc1cnc(Cl)nc1 ZINC001139993050 1131654405 /nfs/dbraw/zinc/65/44/05/1131654405.db2.gz BPHMCYCNJHCIBT-UHFFFAOYSA-N 0 1 289.810 3.769 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001140051910 1131658407 /nfs/dbraw/zinc/65/84/07/1131658407.db2.gz XWSGJKOSVGHQLT-CYBMUJFWSA-N 0 1 289.325 3.660 20 0 CHADMN Cc1cccc(CC[N@H+](C)Cc2cc(O)ccc2F)c1 ZINC001140048619 1131658678 /nfs/dbraw/zinc/65/86/78/1131658678.db2.gz MUQKWUOOEIFBAW-UHFFFAOYSA-N 0 1 273.351 3.514 20 0 CHADMN Cc1cccc(CCN(C)Cc2cc(O)ccc2F)c1 ZINC001140048619 1131658680 /nfs/dbraw/zinc/65/86/80/1131658680.db2.gz MUQKWUOOEIFBAW-UHFFFAOYSA-N 0 1 273.351 3.514 20 0 CHADMN CSc1nccc(CN2CCC[C@@H]2c2cccc(C)c2)n1 ZINC001140033142 1131658812 /nfs/dbraw/zinc/65/88/12/1131658812.db2.gz SFNXZQBNSDCPFC-MRXNPFEDSA-N 0 1 299.443 3.844 20 0 CHADMN CCCOC1CCN(Cc2cccc(Cl)c2OC)CC1 ZINC001140068103 1131661678 /nfs/dbraw/zinc/66/16/78/1131661678.db2.gz XBCNCSJENUBOOU-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN FC(F)(F)c1ccnc(CN2CC3CCC(CC3)C2)c1 ZINC001140108743 1131664323 /nfs/dbraw/zinc/66/43/23/1131664323.db2.gz MLDMXLJTEVBSNF-UHFFFAOYSA-N 0 1 284.325 3.722 20 0 CHADMN C[C@H]1CN(Cc2ccc(O)cc2F)Cc2ccccc21 ZINC001140124650 1131665929 /nfs/dbraw/zinc/66/59/29/1131665929.db2.gz SAQMPEIPNIUZPQ-LBPRGKRZSA-N 0 1 271.335 3.651 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2ccc(O)cc2F)cc1 ZINC001140129237 1131666871 /nfs/dbraw/zinc/66/68/71/1131666871.db2.gz XTQIDODEHSYLNK-LBPRGKRZSA-N 0 1 289.350 3.733 20 0 CHADMN CN(CCc1cccc(Cl)c1)Cc1ncn2ccccc12 ZINC001144625007 1131667045 /nfs/dbraw/zinc/66/70/45/1131667045.db2.gz YWFBEWVLUMXXDK-UHFFFAOYSA-N 0 1 299.805 3.662 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(-c3ccncc3)cc2)C[C@H]1F ZINC001140168942 1131671143 /nfs/dbraw/zinc/67/11/43/1131671143.db2.gz PRBUUDDCASRBHF-RDTXWAMCSA-N 0 1 284.378 3.929 20 0 CHADMN CCc1cc(CN[C@H]2CCc3ccc(F)c(Cl)c32)[nH]n1 ZINC000845935743 1131672092 /nfs/dbraw/zinc/67/20/92/1131672092.db2.gz FNHCDNVGNHLBJU-ZDUSSCGKSA-N 0 1 293.773 3.542 20 0 CHADMN C[N@@H+](C/C=C/c1ccccc1)Cc1sccc1C(=O)[O-] ZINC001144677191 1131680388 /nfs/dbraw/zinc/68/03/88/1131680388.db2.gz FWODCSRSRIGJRA-VMPITWQZSA-N 0 1 287.384 3.592 20 0 CHADMN O=C([O-])c1ccsc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC001144678389 1131681125 /nfs/dbraw/zinc/68/11/25/1131681125.db2.gz YRJZIQHQCOTNEZ-LLVKDONJSA-N 0 1 293.413 3.845 20 0 CHADMN COc1cccc2c1CN(Cc1cccc3cc[nH]c31)C2 ZINC001144718233 1131689082 /nfs/dbraw/zinc/68/90/82/1131689082.db2.gz CDWYKTOFIGYCRD-UHFFFAOYSA-N 0 1 278.355 3.692 20 0 CHADMN CC[C@H](N[C@H](C)c1cc(C)nn1C)c1ccccc1F ZINC000846188592 1131697846 /nfs/dbraw/zinc/69/78/46/1131697846.db2.gz GWQLEMQXVJPCJQ-DOMZBBRYSA-N 0 1 275.371 3.670 20 0 CHADMN Cc1ccc2[nH]nc(CN3CCC[C@H]4CCC[C@@H]43)c2c1 ZINC001140330030 1131698927 /nfs/dbraw/zinc/69/89/27/1131698927.db2.gz JPEMPWZQPZLEMH-DYVFJYSZSA-N 0 1 269.392 3.636 20 0 CHADMN Cc1cc([C@@H](C)NCCC[C@@H]2CC2(Cl)Cl)no1 ZINC000846216940 1131699830 /nfs/dbraw/zinc/69/98/30/1131699830.db2.gz WATTZWMSRSLLGB-NXEZZACHSA-N 0 1 277.195 3.608 20 0 CHADMN CC(C)[C@H]1CCC[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001144745547 1131700642 /nfs/dbraw/zinc/70/06/42/1131700642.db2.gz FKONISKZWJZYDR-STQMWFEESA-N 0 1 285.391 3.508 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCC[C@H](C)CC1 ZINC001144750067 1131701417 /nfs/dbraw/zinc/70/14/17/1131701417.db2.gz VNJNXNUKNRFSEP-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN C/C(=C\C[N@H+]([C@H](C)c1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000846239602 1131702835 /nfs/dbraw/zinc/70/28/35/1131702835.db2.gz SNACIFRRQJZTGF-LMMOQWNQSA-N 0 1 293.794 3.896 20 0 CHADMN C/C(=C\C[N@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000846242205 1131703064 /nfs/dbraw/zinc/70/30/64/1131703064.db2.gz XLICZWWKLAELNT-LMMOQWNQSA-N 0 1 293.794 3.896 20 0 CHADMN CCc1ccc([C@@H]2CCCCC[N@H+]2C/C=C(/C)C(=O)[O-])o1 ZINC000846249332 1131703770 /nfs/dbraw/zinc/70/37/70/1131703770.db2.gz MVPSPZXIOMCGCS-WVUXNXBLSA-N 0 1 291.391 3.790 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1cc2ccccc2s1 ZINC000846264255 1131704309 /nfs/dbraw/zinc/70/43/09/1131704309.db2.gz VLKGUVVPBBQVOW-UHFFFAOYSA-N 0 1 291.416 3.834 20 0 CHADMN Cc1cc(Cl)ccc1C[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000846271713 1131705318 /nfs/dbraw/zinc/70/53/18/1131705318.db2.gz AGOHJRWXMXZLPE-UHFFFAOYSA-N 0 1 295.810 3.868 20 0 CHADMN CC[N@@H+]1CCC[C@H](Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227647567 1131720514 /nfs/dbraw/zinc/72/05/14/1131720514.db2.gz ZVCZIVNTCRSORR-VIFPVBQESA-N 0 1 290.190 3.562 20 0 CHADMN CC[N@H+]1CCC[C@H](Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227647567 1131720520 /nfs/dbraw/zinc/72/05/20/1131720520.db2.gz ZVCZIVNTCRSORR-VIFPVBQESA-N 0 1 290.190 3.562 20 0 CHADMN Cc1cc(C)c(CN[C@H]2CCc3nc(Cl)ccc32)cn1 ZINC000834902541 1131726038 /nfs/dbraw/zinc/72/60/38/1131726038.db2.gz IXHZRKIZCKJREC-AWEZNQCLSA-N 0 1 287.794 3.524 20 0 CHADMN C[C@H](c1cccs1)N(C)CC1(Br)CC1 ZINC000846774790 1131732947 /nfs/dbraw/zinc/73/29/47/1131732947.db2.gz WKGMBUFZCKJUKF-SECBINFHSA-N 0 1 274.227 3.668 20 0 CHADMN C[C@H]1C[N@H+](Cc2cnc3ccc(Cl)cn23)CCC[C@@H]1C ZINC001140429232 1131733521 /nfs/dbraw/zinc/73/35/21/1131733521.db2.gz KXIFQGIQBUNOAA-STQMWFEESA-N 0 1 291.826 3.856 20 0 CHADMN CC[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cnsn1 ZINC000846788662 1131736010 /nfs/dbraw/zinc/73/60/10/1131736010.db2.gz FYLCGTPSTRYBSA-JKSUJKDBSA-N 0 1 287.432 3.696 20 0 CHADMN CCN(CC1(Br)CC1)[C@H](C)c1cccc(O)c1 ZINC000846812526 1131744488 /nfs/dbraw/zinc/74/44/88/1131744488.db2.gz VILBAHRCYRUOOE-LLVKDONJSA-N 0 1 298.224 3.703 20 0 CHADMN Clc1cccc(C2(NCc3ccc4nonc4c3)CC2)c1 ZINC000846845337 1131749176 /nfs/dbraw/zinc/74/91/76/1131749176.db2.gz JDRFZXNQLLFSGT-UHFFFAOYSA-N 0 1 299.761 3.655 20 0 CHADMN Cc1ccc(C(C)(C)NCc2cnc(Cl)c(F)c2)cn1 ZINC000846855272 1131751806 /nfs/dbraw/zinc/75/18/06/1131751806.db2.gz CMCZBBOWFHADQL-UHFFFAOYSA-N 0 1 293.773 3.602 20 0 CHADMN O=C([O-])c1ccccc1C[N@@H+](Cc1ccccc1)C1CCC1 ZINC001140504560 1131771359 /nfs/dbraw/zinc/77/13/59/1131771359.db2.gz XITVHFROISPXTM-UHFFFAOYSA-N 0 1 295.382 3.940 20 0 CHADMN Cc1cccc([C@@H](C)NC(=O)c2cccc3nc[nH]c32)c1C ZINC001146225975 1131787274 /nfs/dbraw/zinc/78/72/74/1131787274.db2.gz JBOVICWCXPKQES-CYBMUJFWSA-N 0 1 293.370 3.671 20 0 CHADMN Fc1cccc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1Cl ZINC001140560310 1131793294 /nfs/dbraw/zinc/79/32/94/1131793294.db2.gz WLALXOHADYDHSB-PHIMTYICSA-N 0 1 289.728 3.956 20 0 CHADMN C[C@@H]1CC(CNC(=O)c2ccc(Cl)c(O)c2)C[C@@H](C)C1 ZINC001146634459 1131794156 /nfs/dbraw/zinc/79/41/56/1131794156.db2.gz JDGLSQAKOXHKON-QWRGUYRKSA-N 0 1 295.810 3.848 20 0 CHADMN CC(C)[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(O)c1 ZINC001146677522 1131794800 /nfs/dbraw/zinc/79/48/00/1131794800.db2.gz DOTCBYFYCHFBKW-ZDUSSCGKSA-N 0 1 281.783 3.696 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)CC3=CCCCC3)cc(F)c12 ZINC001146738481 1131795265 /nfs/dbraw/zinc/79/52/65/1131795265.db2.gz HCDVDSUFJMRTDC-UHFFFAOYSA-N 0 1 287.338 3.839 20 0 CHADMN Fc1cccc(CN2CCC3(CCCOC3)CC2)c1Cl ZINC001140567839 1131797999 /nfs/dbraw/zinc/79/79/99/1131797999.db2.gz KZWGVOBKCWLAPL-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN Nc1cccc(CCCNc2ccc3c(n2)CCCC3)c1 ZINC001161007108 1131803498 /nfs/dbraw/zinc/80/34/98/1131803498.db2.gz NSXGSKNOSDLZEA-UHFFFAOYSA-N 0 1 281.403 3.587 20 0 CHADMN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cc(Cl)sc1Cl ZINC001140586740 1131811748 /nfs/dbraw/zinc/81/17/48/1131811748.db2.gz XNTXWIIBDHRCPC-DTWKUNHWSA-N 0 1 293.263 3.579 20 0 CHADMN Cc1ccc(F)cc1CN(C)CCC(=O)c1ccccc1 ZINC001140593251 1131816546 /nfs/dbraw/zinc/81/65/46/1131816546.db2.gz ZYAFZQXVYDPHOS-UHFFFAOYSA-N 0 1 285.362 3.839 20 0 CHADMN CC(=O)c1cc2cccc(OC3CCN(C4CC4)CC3)c2o1 ZINC001228150294 1131818826 /nfs/dbraw/zinc/81/88/26/1131818826.db2.gz UWDYDBSICNWTHN-UHFFFAOYSA-N 0 1 299.370 3.641 20 0 CHADMN CCCCCc1cc(C(=O)N2CCC[C@@](C)(CC)C2)n[nH]1 ZINC001147873986 1131838302 /nfs/dbraw/zinc/83/83/02/1131838302.db2.gz LCIYOCTWNMTLCB-QGZVFWFLSA-N 0 1 291.439 3.795 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000044584570 1131839943 /nfs/dbraw/zinc/83/99/43/1131839943.db2.gz AIZIKRJVYOUGPW-SOUVJXGZSA-N 0 1 291.439 3.985 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2cccc3ccncc32)no1 ZINC001140640367 1131841253 /nfs/dbraw/zinc/84/12/53/1131841253.db2.gz MRKKXZIFZIFMQB-GOSISDBHSA-N 0 1 293.370 3.868 20 0 CHADMN O=C1CCN(Cc2cccc3ccncc32)[C@H]2CCCC[C@H]12 ZINC001140640580 1131841533 /nfs/dbraw/zinc/84/15/33/1131841533.db2.gz PWKMZNSFZZPIJM-WMZOPIPTSA-N 0 1 294.398 3.568 20 0 CHADMN CN(Cc1ccc(Cl)nc1)Cc1cccc2ccncc21 ZINC001140644643 1131842617 /nfs/dbraw/zinc/84/26/17/1131842617.db2.gz WEYXZHUUKFQKHE-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN Fc1ccc2c(c1)CCN(Cc1cccc3ccncc31)C2 ZINC001140644315 1131843659 /nfs/dbraw/zinc/84/36/59/1131843659.db2.gz IMACRQMFIGFUIY-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN C[C@H]1CCN(Cc2cc(Cl)ccc2N)CCC1(F)F ZINC001140716075 1131892728 /nfs/dbraw/zinc/89/27/28/1131892728.db2.gz CUHRCJHVHLQZLW-JTQLQIEISA-N 0 1 288.769 3.789 20 0 CHADMN C[C@H](Oc1[nH]c(=O)ncc1Cl)c1cccc(Cl)c1 ZINC001228482354 1131893444 /nfs/dbraw/zinc/89/34/44/1131893444.db2.gz LPDMSCRXVBFDJF-ZETCQYMHSA-N 0 1 285.130 3.629 20 0 CHADMN COC(=O)c1ccoc1CN1CCCC2(CCCCC2)C1 ZINC000348138649 1131894337 /nfs/dbraw/zinc/89/43/37/1131894337.db2.gz IZDKDIBMDLJCHK-UHFFFAOYSA-N 0 1 291.391 3.613 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1cc(Cl)ccc1N)CC2 ZINC001140716326 1131894901 /nfs/dbraw/zinc/89/49/01/1131894901.db2.gz JQFPMCZOAPZGPS-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN Fc1ccc(CN2CCCC3(CCC3)C2)cc1F ZINC000348173700 1131899083 /nfs/dbraw/zinc/89/90/83/1131899083.db2.gz ASJLWEHDVUVXLJ-UHFFFAOYSA-N 0 1 251.320 3.731 20 0 CHADMN CC[C@]1(C)CCCN([C@@H](C)C(=O)c2c[nH]c3ncccc23)C1 ZINC000348181051 1131900159 /nfs/dbraw/zinc/90/01/59/1131900159.db2.gz IIBBACDNBNNFFX-SCLBCKFNSA-N 0 1 299.418 3.646 20 0 CHADMN FC(F)(F)[C@H]1CCN(Cc2ccco2)CC12CCC2 ZINC000282822135 1131903384 /nfs/dbraw/zinc/90/33/84/1131903384.db2.gz AXUPFQFQGUDGEE-LBPRGKRZSA-N 0 1 273.298 3.834 20 0 CHADMN Fc1ccc(CN2CCSC[C@H]2C2CCC2)c(F)c1 ZINC001171345430 1131908842 /nfs/dbraw/zinc/90/88/42/1131908842.db2.gz ZUXKRKFHGGISCX-HNNXBMFYSA-N 0 1 283.387 3.682 20 0 CHADMN COc1ccc2c(c1)CN(Cc1coc3ccccc13)CC2 ZINC001140782337 1131915905 /nfs/dbraw/zinc/91/59/05/1131915905.db2.gz ATHGXQZGAWOEHM-UHFFFAOYSA-N 0 1 293.366 4.000 20 0 CHADMN Fc1cc(F)c2c(c1)C[C@H](N1CCCC[C@H](F)C1)CC2 ZINC001171367520 1131916261 /nfs/dbraw/zinc/91/62/61/1131916261.db2.gz WKXDQEDGPWHQTJ-GXTWGEPZSA-N 0 1 283.337 3.646 20 0 CHADMN C[C@H]1CCN(Cc2cc(O)cc(Cl)c2)CCC1(F)F ZINC001140787229 1131917270 /nfs/dbraw/zinc/91/72/70/1131917270.db2.gz BMZSTZOCHZLJEF-JTQLQIEISA-N 0 1 289.753 3.913 20 0 CHADMN C[C@H](Oc1ccc2[nH]nnc2c1)c1csc(Cl)c1 ZINC001228663652 1131929263 /nfs/dbraw/zinc/92/92/63/1131929263.db2.gz GKEPSKRYFJMRQR-ZETCQYMHSA-N 0 1 279.752 3.813 20 0 CHADMN Clc1ccc2c(c1)[C@@H](Oc1ccc3[nH]nnc3c1)CC2 ZINC001228663157 1131929647 /nfs/dbraw/zinc/92/96/47/1131929647.db2.gz WEHRLSARUZRTMG-HNNXBMFYSA-N 0 1 285.734 3.678 20 0 CHADMN c1cc2c3c(cccc3c1)[C@@H](Oc1ccc3[nH]nnc3c1)C2 ZINC001228667227 1131931597 /nfs/dbraw/zinc/93/15/97/1131931597.db2.gz LAILERAVLGRBOH-KRWDZBQOSA-N 0 1 287.322 3.787 20 0 CHADMN c1cc2c(cccc2CNc2ccnc3[nH]cnc32)s1 ZINC001171377200 1131932368 /nfs/dbraw/zinc/93/23/68/1131932368.db2.gz HYEKMJIXAHHTPR-UHFFFAOYSA-N 0 1 280.356 3.785 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cccnc2Cl)c(C)c1 ZINC000773061496 1131932498 /nfs/dbraw/zinc/93/24/98/1131932498.db2.gz YLEBDHJKWTUTDB-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Nc1cc(NCc2cccc3sccc32)ncc1F ZINC001171378207 1131935293 /nfs/dbraw/zinc/93/52/93/1131935293.db2.gz XCTCLGUUFHBJIO-UHFFFAOYSA-N 0 1 273.336 3.630 20 0 CHADMN C[C@@H]1CCC[N@H+](Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140830369 1131940141 /nfs/dbraw/zinc/94/01/41/1131940141.db2.gz VZBCXHOCUYHAEP-SECBINFHSA-N 0 1 274.191 3.931 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140830369 1131940148 /nfs/dbraw/zinc/94/01/48/1131940148.db2.gz VZBCXHOCUYHAEP-SECBINFHSA-N 0 1 274.191 3.931 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140834869 1131941805 /nfs/dbraw/zinc/94/18/05/1131941805.db2.gz GJEXFZMVNGLDEV-MRVPVSSYSA-N 0 1 260.164 3.541 20 0 CHADMN CSc1ccc([C@@H](C)NCc2cccc(F)n2)cc1 ZINC000773089359 1131943284 /nfs/dbraw/zinc/94/32/84/1131943284.db2.gz PZZBVJLDULTBGN-LLVKDONJSA-N 0 1 276.380 3.793 20 0 CHADMN CC[C@H](C)CCCCC(=O)N1CCN([C@@H](C)CC)CC1 ZINC001140843912 1131943938 /nfs/dbraw/zinc/94/39/38/1131943938.db2.gz BMYYIENYQUOZKD-HOTGVXAUSA-N 0 1 282.472 3.536 20 0 CHADMN Cc1cc([C@H](C)NCc2cccc(F)n2)c(C)s1 ZINC000773091971 1131944448 /nfs/dbraw/zinc/94/44/48/1131944448.db2.gz XWZZIEZEGAOEHR-JTQLQIEISA-N 0 1 264.369 3.750 20 0 CHADMN Cc1cc([C@H](C)NCc2cccc(F)n2)ccc1F ZINC000773098239 1131945645 /nfs/dbraw/zinc/94/56/45/1131945645.db2.gz ZOXSXBZRTFZLEU-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@@H](C)c1ccc[nH]1 ZINC000773117216 1131949313 /nfs/dbraw/zinc/94/93/13/1131949313.db2.gz LAGFVHKYPMEKEV-STQMWFEESA-N 0 1 258.365 3.825 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@H](C)c1ccc[nH]1 ZINC000773117213 1131949468 /nfs/dbraw/zinc/94/94/68/1131949468.db2.gz LAGFVHKYPMEKEV-CHWSQXEVSA-N 0 1 258.365 3.825 20 0 CHADMN Cc1c[nH]c(CN2CCN(c3c(C)cccc3C)CC2)c1C ZINC001140864575 1131952821 /nfs/dbraw/zinc/95/28/21/1131952821.db2.gz WWWGPGCWHUMDRP-UHFFFAOYSA-N 0 1 297.446 3.571 20 0 CHADMN Cn1ncc(CN[C@@H](c2ccccc2)C(C)(C)C)c1Cl ZINC000712489924 1131956265 /nfs/dbraw/zinc/95/62/65/1131956265.db2.gz WEUGEUPUAVLLDV-AWEZNQCLSA-N 0 1 291.826 3.951 20 0 CHADMN FC(F)(F)c1ccncc1CN1CCC[C@H]2CCC[C@H]21 ZINC001140919141 1131964319 /nfs/dbraw/zinc/96/43/19/1131964319.db2.gz JXGWCZOELFVPNG-BXUZGUMPSA-N 0 1 284.325 3.865 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H]2CCC[C@@H]3CCCC[C@H]23)n1 ZINC000714452848 1131973905 /nfs/dbraw/zinc/97/39/05/1131973905.db2.gz MFSPCWAGRDUCCA-FQUUOJAGSA-N 0 1 277.412 3.799 20 0 CHADMN CCCOC(=O)[C@@H](C)N1CC(C)(C)C[C@H]1c1ccccc1 ZINC001171407607 1131976157 /nfs/dbraw/zinc/97/61/57/1131976157.db2.gz MLOGEVLUDHXKQB-ZBFHGGJFSA-N 0 1 289.419 3.801 20 0 CHADMN C[C@@H](Oc1ccc2c(c1)CC[N@H+](C)C2)C1CCCC1 ZINC001228945998 1131982845 /nfs/dbraw/zinc/98/28/45/1131982845.db2.gz ZIDYKIQHDSKWBT-CYBMUJFWSA-N 0 1 259.393 3.632 20 0 CHADMN CCCCC(=O)[C@H](CCCC)Oc1nnc2c[nH]ccc1-2 ZINC001228990260 1131993707 /nfs/dbraw/zinc/99/37/07/1131993707.db2.gz OHIBWVXHXVSFLP-HNNXBMFYSA-N 0 1 289.379 3.655 20 0 CHADMN CC(C)[C@H](Oc1nnc2c[nH]ccc1-2)c1ccccc1 ZINC001228989838 1131993924 /nfs/dbraw/zinc/99/39/24/1131993924.db2.gz KYFCNLFYYLNZGE-HNNXBMFYSA-N 0 1 267.332 3.734 20 0 CHADMN CC(C)Oc1ccc(CN[C@H](C)c2ccns2)cc1 ZINC000715929990 1131996088 /nfs/dbraw/zinc/99/60/88/1131996088.db2.gz FPNPNPOEGUKTIU-GFCCVEGCSA-N 0 1 276.405 3.781 20 0 CHADMN COc1cccc([C@H]2CCCCN2Cc2ocnc2C)c1 ZINC001141052928 1131996861 /nfs/dbraw/zinc/99/68/61/1131996861.db2.gz RLYCIPFIDYGHIC-MRXNPFEDSA-N 0 1 286.375 3.719 20 0 CHADMN Cc1ncoc1CN1CCC(Sc2ccccc2)CC1 ZINC001141053651 1131997060 /nfs/dbraw/zinc/99/70/60/1131997060.db2.gz KYDZXUYUMQGVQO-UHFFFAOYSA-N 0 1 288.416 3.740 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccns1)CC2 ZINC000715951598 1131997370 /nfs/dbraw/zinc/99/73/70/1131997370.db2.gz FCQDZFXPEKQURF-BXUZGUMPSA-N 0 1 258.390 3.790 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccns2)cc1 ZINC000715964770 1131999469 /nfs/dbraw/zinc/99/94/69/1131999469.db2.gz GADYCILFOGYZEV-MNOVXSKESA-N 0 1 262.378 3.564 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)cc1)c1ccns1 ZINC000715968825 1132000866 /nfs/dbraw/zinc/00/08/66/1132000866.db2.gz WGCMBJHQDQHSBS-UWVGGRQHSA-N 0 1 250.342 3.694 20 0 CHADMN CCCCc1ncc(CN2Cc3cccc(C)c3C2)[nH]1 ZINC001141067640 1132002514 /nfs/dbraw/zinc/00/25/14/1132002514.db2.gz JTOYNBHBXKCBTM-UHFFFAOYSA-N 0 1 269.392 3.577 20 0 CHADMN CCCCc1ncc(CN2CCC[C@@H]2c2ccc(C)nc2)[nH]1 ZINC001141071383 1132002587 /nfs/dbraw/zinc/00/25/87/1132002587.db2.gz MMGYIMYGMSZDDB-QGZVFWFLSA-N 0 1 298.434 3.793 20 0 CHADMN C[C@@H]1CN(Cc2cccc(C(C)(C)C)c2)CCCC1=O ZINC001141102453 1132016481 /nfs/dbraw/zinc/01/64/81/1132016481.db2.gz AZNHHQDDPLNZKA-CQSZACIVSA-N 0 1 273.420 3.785 20 0 CHADMN Cc1[nH]nc(CN[C@H](C)c2ccccc2Cl)c1C ZINC000716468438 1132025742 /nfs/dbraw/zinc/02/57/42/1132025742.db2.gz HKOURUNXNOBITN-LLVKDONJSA-N 0 1 263.772 3.531 20 0 CHADMN Cc1cnc(NCc2cccc3ncoc32)c2[nH]ccc21 ZINC001171453442 1132032009 /nfs/dbraw/zinc/03/20/09/1132032009.db2.gz VNFRPMLSOKNWGM-UHFFFAOYSA-N 0 1 278.315 3.625 20 0 CHADMN Cc1ccc(CN2CCN(C)[C@@H](c3ccccc3)C2)c(F)c1 ZINC001141194766 1132039869 /nfs/dbraw/zinc/03/98/69/1132039869.db2.gz MVNOESSJURGQCB-LJQANCHMSA-N 0 1 298.405 3.623 20 0 CHADMN Cc1ccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c(F)c1 ZINC001141191356 1132040939 /nfs/dbraw/zinc/04/09/39/1132040939.db2.gz LCOMYLPMDHKBTP-LLVKDONJSA-N 0 1 257.299 3.611 20 0 CHADMN Cc1ccc(CN2CCC(F)(F)[C@H](C)C2)c(F)c1 ZINC001141191356 1132040946 /nfs/dbraw/zinc/04/09/46/1132040946.db2.gz LCOMYLPMDHKBTP-LLVKDONJSA-N 0 1 257.299 3.611 20 0 CHADMN Cc1ccc(CN(C)C[C@H]2Cc3ccccc3O2)c(F)c1 ZINC001141198180 1132041277 /nfs/dbraw/zinc/04/12/77/1132041277.db2.gz YKZODBJDEAYTJW-MRXNPFEDSA-N 0 1 285.362 3.570 20 0 CHADMN COc1ccc(C(F)(F)F)cc1CN1CCC[C@@H](C)C1 ZINC001141200715 1132041765 /nfs/dbraw/zinc/04/17/65/1132041765.db2.gz UYDIEWCNUBGUBR-LLVKDONJSA-N 0 1 287.325 3.946 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@]3(C2)CCCCO3)ccc1Cl ZINC001141232427 1132055064 /nfs/dbraw/zinc/05/50/64/1132055064.db2.gz DZCWDTPRETZDGA-INIZCTEOSA-N 0 1 279.811 3.793 20 0 CHADMN CCCC[C@@H](Oc1nc(C)nc2[nH]cnc21)c1ccccc1 ZINC001229438702 1132066290 /nfs/dbraw/zinc/06/62/90/1132066290.db2.gz TVZPFSPMLNMEEY-CQSZACIVSA-N 0 1 296.374 3.972 20 0 CHADMN Cc1nc2[nH]cnc2c(O[C@@H](C)c2csc(Cl)c2)n1 ZINC001229440861 1132067938 /nfs/dbraw/zinc/06/79/38/1132067938.db2.gz PNXUUKIEXNJTEZ-LURJTMIESA-N 0 1 294.767 3.516 20 0 CHADMN Cc1ncc(Br)cc1CN1[C@H](C)CCC[C@@H]1C ZINC001248778109 1132104778 /nfs/dbraw/zinc/10/47/78/1132104778.db2.gz LXEMKVSEUGULFY-PHIMTYICSA-N 0 1 297.240 3.915 20 0 CHADMN Cc1ncc(Br)cc1CN1[C@@H](C)CCC[C@@H]1C ZINC001248778110 1132105338 /nfs/dbraw/zinc/10/53/38/1132105338.db2.gz LXEMKVSEUGULFY-QWRGUYRKSA-N 0 1 297.240 3.915 20 0 CHADMN Fc1ccc([C@H]2CCN2CCOCC2CCCC2)cc1 ZINC001171846826 1132106713 /nfs/dbraw/zinc/10/67/13/1132106713.db2.gz FRDCUEUWXQGIGW-QGZVFWFLSA-N 0 1 277.383 3.779 20 0 CHADMN Cc1ncsc1CCCN1CC[C@@H]1c1ccc(F)cc1 ZINC001171846817 1132106742 /nfs/dbraw/zinc/10/67/42/1132106742.db2.gz FNDFCIUYMFKJGU-OAHLLOKOSA-N 0 1 290.407 3.970 20 0 CHADMN COc1ccc2nc(O[C@@H]3CCc4ccccc43)[nH]c2c1 ZINC001229727185 1132111405 /nfs/dbraw/zinc/11/14/05/1132111405.db2.gz NAIXRJUAPBFGDN-MRXNPFEDSA-N 0 1 280.327 3.638 20 0 CHADMN COc1ccc2nc(O[C@H](C)c3cccc(OC)c3)[nH]c2c1 ZINC001229730651 1132112447 /nfs/dbraw/zinc/11/24/47/1132112447.db2.gz SXHIVZDOPHYBIB-LLVKDONJSA-N 0 1 298.342 3.720 20 0 CHADMN CC(C)(C)c1cccc(CN2CCO[C@](C)(C3CC3)C2)c1 ZINC001171921800 1132112842 /nfs/dbraw/zinc/11/28/42/1132112842.db2.gz XNCJPQMYXOOCQJ-IBGZPJMESA-N 0 1 287.447 3.985 20 0 CHADMN CC(C)(C)c1cccc(CN2CCO[C@@](C)(C3CC3)C2)c1 ZINC001171921801 1132113204 /nfs/dbraw/zinc/11/32/04/1132113204.db2.gz XNCJPQMYXOOCQJ-LJQANCHMSA-N 0 1 287.447 3.985 20 0 CHADMN CCN1CC[C@@H](Oc2cc(C)c(C)cc2Br)C1 ZINC001229799021 1132119833 /nfs/dbraw/zinc/11/98/33/1132119833.db2.gz GQKUOYVQERTTAP-GFCCVEGCSA-N 0 1 298.224 3.539 20 0 CHADMN CC[C@@H](C)[C@@H](C)Oc1ccc(F)cc1CN(C)C ZINC001229858154 1132125840 /nfs/dbraw/zinc/12/58/40/1132125840.db2.gz HBSLTKABWFGWFZ-VXGBXAGGSA-N 0 1 253.361 3.701 20 0 CHADMN Cc1nc2cc(Nc3cccc([C@@H](C)O)c3)ccc2[nH]1 ZINC001213073644 1132132557 /nfs/dbraw/zinc/13/25/57/1132132557.db2.gz VDLVOIDHCRZBEI-SNVBAGLBSA-N 0 1 267.332 3.668 20 0 CHADMN C[C@H](Oc1nc[nH]c(=O)c1Cl)c1csc(Cl)c1 ZINC001230011942 1132144807 /nfs/dbraw/zinc/14/48/07/1132144807.db2.gz BFJMNEQQGCTKRU-YFKPBYRVSA-N 0 1 291.159 3.691 20 0 CHADMN CC[C@H](Oc1nc[nH]c(=O)c1Cl)C1CCCCC1 ZINC001230016275 1132145790 /nfs/dbraw/zinc/14/57/90/1132145790.db2.gz DOLZNWXOEFWOFS-JTQLQIEISA-N 0 1 270.760 3.573 20 0 CHADMN c1ccc2c(CN[C@@H]3CSc4ccccc4C3)noc2c1 ZINC001172200549 1132148470 /nfs/dbraw/zinc/14/84/70/1132148470.db2.gz KPCOUENELZCVKI-ZDUSSCGKSA-N 0 1 296.395 3.634 20 0 CHADMN Cc1ccc(CN(C2CC2)C2CCCC2)c(Cl)n1 ZINC000838839265 1132150210 /nfs/dbraw/zinc/15/02/10/1132150210.db2.gz MQWRKWZJHXOAAY-UHFFFAOYSA-N 0 1 264.800 3.950 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2ccc(C)nc2Cl)CC1 ZINC000838838243 1132150261 /nfs/dbraw/zinc/15/02/61/1132150261.db2.gz IQBWZUIQNODEEX-OAHLLOKOSA-N 0 1 296.842 3.825 20 0 CHADMN CCCO[C@H]1CCCN(Cc2ccc(C)nc2Cl)CC1 ZINC000838838242 1132150431 /nfs/dbraw/zinc/15/04/31/1132150431.db2.gz IQBWZUIQNODEEX-HNNXBMFYSA-N 0 1 296.842 3.825 20 0 CHADMN Cc1ccc(CN2CCS[C@H]3CCCC[C@H]32)c(Cl)n1 ZINC000838868719 1132152609 /nfs/dbraw/zinc/15/26/09/1132152609.db2.gz QVFDVVYYUZMKPA-KGLIPLIRSA-N 0 1 296.867 3.903 20 0 CHADMN Cc1cc2[nH]ncc2cc1OC[C@H]1CCc2ccccc2O1 ZINC001230223635 1132162344 /nfs/dbraw/zinc/16/23/44/1132162344.db2.gz UFALUIDMNIRPPG-OAHLLOKOSA-N 0 1 294.354 3.644 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@@H](C)Cc1ccccc1 ZINC001230225331 1132163461 /nfs/dbraw/zinc/16/34/61/1132163461.db2.gz PSBXGOVRNPSBBE-ZDUSSCGKSA-N 0 1 266.344 3.881 20 0 CHADMN Cc1nc([C@@H]2CCCCN2[C@@H]2CC[C@H](C)[C@@H](C)C2)no1 ZINC001172372721 1132167456 /nfs/dbraw/zinc/16/74/56/1132167456.db2.gz GUGNIGGHCSOGJL-VIRABCJISA-N 0 1 277.412 3.730 20 0 CHADMN CCCCCC[C@H](CCC)N[C@H]1CCSC1=O ZINC001172378296 1132170307 /nfs/dbraw/zinc/17/03/07/1132170307.db2.gz KCKGXGXPENLUDP-STQMWFEESA-N 0 1 257.443 3.747 20 0 CHADMN CC[C@@H](C)OCC[C@@H](C)N1CCc2nc(Cl)ccc2C1 ZINC001172344429 1132178847 /nfs/dbraw/zinc/17/88/47/1132178847.db2.gz YAGBMLMBKINHIC-CHWSQXEVSA-N 0 1 296.842 3.687 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)N1CCC[C@@H]1c1nccs1 ZINC001172352701 1132182865 /nfs/dbraw/zinc/18/28/65/1132182865.db2.gz IKRQLEQCHPPANF-HZSPNIEDSA-N 0 1 282.453 3.874 20 0 CHADMN CC(C)c1ncc(CN2CC(Cc3ccccc3)C2)s1 ZINC000839128210 1132183582 /nfs/dbraw/zinc/18/35/82/1132183582.db2.gz ODFUWHMQQXRXQX-UHFFFAOYSA-N 0 1 286.444 3.941 20 0 CHADMN Clc1ccc2c(CN3CCc4ccncc4C3)c[nH]c2c1 ZINC001141586227 1132191988 /nfs/dbraw/zinc/19/19/88/1132191988.db2.gz XSHHDMAPTFUNBG-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN Clc1ccc2c(CN3CCc4cccnc4C3)c[nH]c2c1 ZINC001141590965 1132194020 /nfs/dbraw/zinc/19/40/20/1132194020.db2.gz MPIMNTYJXFMJJI-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN CCOCC[C@H](C)NCc1c(F)ccc(F)c1Cl ZINC001172408644 1132198074 /nfs/dbraw/zinc/19/80/74/1132198074.db2.gz KSYYSLPSXSZXGN-VIFPVBQESA-N 0 1 277.742 3.523 20 0 CHADMN CC[C@@H](CC(C)C)N[C@@H](C(=O)OC)C1CCCCC1 ZINC001172383132 1132207637 /nfs/dbraw/zinc/20/76/37/1132207637.db2.gz KBWKEFKMKFXXOH-LSDHHAIUSA-N 0 1 269.429 3.523 20 0 CHADMN C[C@@H]1CC[C@@H](N2Cc3cnc(Cl)cc3C2)C[C@@H]1C ZINC001172383483 1132210266 /nfs/dbraw/zinc/21/02/66/1132210266.db2.gz QYIPGYSVVINPPQ-UHIISALHSA-N 0 1 264.800 3.875 20 0 CHADMN CCCCCC[C@H](CCC)N1CCc2ncn(C)c2C1 ZINC001172384926 1132210517 /nfs/dbraw/zinc/21/05/17/1132210517.db2.gz XEDURSIFOVIQJF-HNNXBMFYSA-N 0 1 277.456 3.917 20 0 CHADMN CCc1ccc(CNC(C)(C)c2ccc(F)cc2)nc1 ZINC000839514791 1132219628 /nfs/dbraw/zinc/21/96/28/1132219628.db2.gz IVAXEBNCTIIZEE-UHFFFAOYSA-N 0 1 272.367 3.808 20 0 CHADMN CC(C)COCC[C@@H](C)N1CCC[C@@H]1c1nccs1 ZINC001172475494 1132225863 /nfs/dbraw/zinc/22/58/63/1132225863.db2.gz KCPAJRRGXYQXMB-ZIAGYGMSSA-N 0 1 282.453 3.731 20 0 CHADMN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)[C@H]1CCN1C(C)(C)C ZINC001141661626 1132226711 /nfs/dbraw/zinc/22/67/11/1132226711.db2.gz HKVGFKAWDZQUJQ-RBSFLKMASA-N 0 1 294.483 3.532 20 0 CHADMN Cc1nonc1CN(C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000839649777 1132229443 /nfs/dbraw/zinc/22/94/43/1132229443.db2.gz HWEIJMIIMBSMDE-NVXWUHKLSA-N 0 1 285.391 3.536 20 0 CHADMN CCN(Cc1occc1C)Cc1ccc(OC(C)=O)cc1 ZINC000839663882 1132229484 /nfs/dbraw/zinc/22/94/84/1132229484.db2.gz VKBMDAQJLNGQAE-UHFFFAOYSA-N 0 1 287.359 3.535 20 0 CHADMN Cc1ccc([C@H](C)Oc2cc3[nH]ncc3c(F)c2)cn1 ZINC001230930841 1132230572 /nfs/dbraw/zinc/23/05/72/1132230572.db2.gz IWWUKVSVFBRUHR-JTQLQIEISA-N 0 1 271.295 3.545 20 0 CHADMN Fc1cc(O[C@@H]2CCc3ccccc3C2)cc2[nH]ncc21 ZINC001230931011 1132231149 /nfs/dbraw/zinc/23/11/49/1132231149.db2.gz KULKBSNQKMSNFI-CYBMUJFWSA-N 0 1 282.318 3.638 20 0 CHADMN CC(C)OCC[C@H](C)NCc1nccc(Cl)c1Cl ZINC001172441744 1132235128 /nfs/dbraw/zinc/23/51/28/1132235128.db2.gz PGCMINNUGXBMQB-JTQLQIEISA-N 0 1 291.222 3.682 20 0 CHADMN CCN(Cc1cc(Br)cc(F)c1F)C1CC1 ZINC001141795959 1132249878 /nfs/dbraw/zinc/24/98/78/1132249878.db2.gz UJLCHKHGUCSFRH-UHFFFAOYSA-N 0 1 290.151 3.712 20 0 CHADMN CC(C)OCC[C@@H](C)NCc1c(Cl)cncc1Cl ZINC001172448706 1132237471 /nfs/dbraw/zinc/23/74/71/1132237471.db2.gz NXCCKAZFFRSYEY-SNVBAGLBSA-N 0 1 291.222 3.682 20 0 CHADMN FC(F)C1CN(Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001141741305 1132243401 /nfs/dbraw/zinc/24/34/01/1132243401.db2.gz KPWMUXVMHQXYLO-UHFFFAOYSA-N 0 1 285.337 3.955 20 0 CHADMN Clc1cc2nc(O[C@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c(Cl)n1 ZINC001231047799 1132247580 /nfs/dbraw/zinc/24/75/80/1132247580.db2.gz CPZORVKAHIMHSN-OOZYFLPDSA-N 0 1 296.157 3.608 20 0 CHADMN CCC[C@H](C)[C@H](CC)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231048669 1132247648 /nfs/dbraw/zinc/24/76/48/1132247648.db2.gz QZDQGTAUTZDQAC-WPRPVWTQSA-N 0 1 282.775 3.600 20 0 CHADMN Cc1nc([C@@H](C)S[C@H](C)c2cccs2)n[nH]1 ZINC000840196372 1132249171 /nfs/dbraw/zinc/24/91/71/1132249171.db2.gz KXJHXLWTTMFYCE-HTQZYQBOSA-N 0 1 253.396 3.730 20 0 CHADMN CN(Cc1coc2ccc(F)cc12)Cc1ccccn1 ZINC001141847049 1132256022 /nfs/dbraw/zinc/25/60/22/1132256022.db2.gz VHEQAMWODWDUID-UHFFFAOYSA-N 0 1 270.307 3.599 20 0 CHADMN CN(Cc1ccon1)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172551945 1132262878 /nfs/dbraw/zinc/26/28/78/1132262878.db2.gz JPBOAHZPNLACMQ-NVXWUHKLSA-N 0 1 270.376 3.833 20 0 CHADMN c1ccc([C@@H]2CCC[C@@H](NC3(c4ncccn4)CC3)C2)cc1 ZINC001172534813 1132274135 /nfs/dbraw/zinc/27/41/35/1132274135.db2.gz AUHXDCZKWAOHMU-IAGOWNOFSA-N 0 1 293.414 3.782 20 0 CHADMN Cc1ccnc(CN[C@H]2CCC[C@@H](c3ccccc3)C2)n1 ZINC001172533491 1132274147 /nfs/dbraw/zinc/27/41/47/1132274147.db2.gz LTTKMNJNBGRGHD-SJORKVTESA-N 0 1 281.403 3.601 20 0 CHADMN Cc1ccnc(CN[C@@H]2CCC[C@@H](c3ccccc3)C2)n1 ZINC001172533489 1132274584 /nfs/dbraw/zinc/27/45/84/1132274584.db2.gz LTTKMNJNBGRGHD-IAGOWNOFSA-N 0 1 281.403 3.601 20 0 CHADMN COC[C@H](N[C@@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccco1 ZINC000840726469 1132278262 /nfs/dbraw/zinc/27/82/62/1132278262.db2.gz YZYRYGSAXJOPNP-NWANDNLSSA-N 0 1 295.423 3.539 20 0 CHADMN Cc1onc(-c2ccccc2)c1CN1CC[C@@H](C)[C@H](F)C1 ZINC001141979219 1132283557 /nfs/dbraw/zinc/28/35/57/1132283557.db2.gz PEKUJWVCXQYXRU-MLGOLLRUSA-N 0 1 288.366 3.830 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000170717162 1132285354 /nfs/dbraw/zinc/28/53/54/1132285354.db2.gz JTUVRJXZRRMIEA-CYBMUJFWSA-N 0 1 287.325 3.860 20 0 CHADMN COCC1CN(Cc2sccc2Oc2ccccc2)C1 ZINC001141994567 1132289441 /nfs/dbraw/zinc/28/94/41/1132289441.db2.gz QQGYHELTRVNFOA-UHFFFAOYSA-N 0 1 289.400 3.619 20 0 CHADMN Oc1ccc(CN2CCC[C@@H]2c2ccccc2F)cc1 ZINC001204093624 1132292297 /nfs/dbraw/zinc/29/22/97/1132292297.db2.gz ODGZFUCBOIUIKD-QGZVFWFLSA-N 0 1 271.335 3.868 20 0 CHADMN CC(F)(F)c1ccc(-n2c(N)nc3ccccc32)cc1 ZINC001212673012 1132293300 /nfs/dbraw/zinc/29/33/00/1132293300.db2.gz BLHPWNUKYARBNC-UHFFFAOYSA-N 0 1 273.286 3.719 20 0 CHADMN Oc1cccc2c1CCN([C@@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172718424 1132294572 /nfs/dbraw/zinc/29/45/72/1132294572.db2.gz IIKQCTPXBAWDHB-MRXNPFEDSA-N 0 1 299.801 3.571 20 0 CHADMN Cc1c(F)ccc(CN2CCCC(F)(F)CC2)c1F ZINC001231473894 1132295269 /nfs/dbraw/zinc/29/52/69/1132295269.db2.gz PRBNQBSIWKIDCS-UHFFFAOYSA-N 0 1 275.289 3.894 20 0 CHADMN Cc1cc(C)c(CN2CC[C@@](C)(F)[C@H](F)C2)cc1C ZINC001231482369 1132299017 /nfs/dbraw/zinc/29/90/17/1132299017.db2.gz KGRMHHDJEMMCSK-HZPDHXFCSA-N 0 1 267.363 3.884 20 0 CHADMN Cc1cc(CNc2nccn2C2CC2)ccc1Cl ZINC000840886575 1132302617 /nfs/dbraw/zinc/30/26/17/1132302617.db2.gz HIECWCIAWUEZAK-UHFFFAOYSA-N 0 1 261.756 3.792 20 0 CHADMN CC(C)Oc1cccc(CNc2nccn2C2CC2)c1 ZINC000840887872 1132305119 /nfs/dbraw/zinc/30/51/19/1132305119.db2.gz YUWUYBHXKIFQIW-UHFFFAOYSA-N 0 1 271.364 3.617 20 0 CHADMN CC(C)(C)c1ncc(CNc2nccn2C2CC2)s1 ZINC000840887411 1132305144 /nfs/dbraw/zinc/30/51/44/1132305144.db2.gz NNCFPWGGWNUWBM-UHFFFAOYSA-N 0 1 276.409 3.584 20 0 CHADMN COc1cc(C)c(CN(C)CCF)cc1C(C)C ZINC001231628072 1132332442 /nfs/dbraw/zinc/33/24/42/1132332442.db2.gz RNGFUZCCFOMQPG-UHFFFAOYSA-N 0 1 253.361 3.528 20 0 CHADMN CCc1ncc(CN2CCC(c3ccc(F)cc3)CC2)cn1 ZINC000840917686 1132307592 /nfs/dbraw/zinc/30/75/92/1132307592.db2.gz MDKBFRYHFUUUQN-UHFFFAOYSA-N 0 1 299.393 3.558 20 0 CHADMN CCN(Cc1cccc(-c2ccccc2)c1)C1COC1 ZINC001231511163 1132311026 /nfs/dbraw/zinc/31/10/26/1132311026.db2.gz JTDCNJMDPGTHIE-UHFFFAOYSA-N 0 1 267.372 3.574 20 0 CHADMN Cc1occc1CN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000840943684 1132311146 /nfs/dbraw/zinc/31/11/46/1132311146.db2.gz YMQCEAVILKCTRY-NEPJUHHUSA-N 0 1 274.191 3.604 20 0 CHADMN CC(C)(C)c1ccncc1CNCc1ccc(Cl)nc1 ZINC000840959809 1132313887 /nfs/dbraw/zinc/31/38/87/1132313887.db2.gz WBYQPKRMDRRULN-UHFFFAOYSA-N 0 1 289.810 3.717 20 0 CHADMN Cc1nc(F)ccc1CNCc1cnccc1C(C)(C)C ZINC000840958428 1132314013 /nfs/dbraw/zinc/31/40/13/1132314013.db2.gz JWMBKZIZWGEZCW-UHFFFAOYSA-N 0 1 287.382 3.511 20 0 CHADMN Cc1nc2cc(Nc3cccc4c3CCC4=O)ccc2[nH]1 ZINC001213074130 1132315553 /nfs/dbraw/zinc/31/55/53/1132315553.db2.gz FPUQCMKRDNLYGD-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN Cc1ccc2c(c1)C[C@@H](n1c3ccccc3nc1CN)CC2 ZINC001172823770 1132320298 /nfs/dbraw/zinc/32/02/98/1132320298.db2.gz JGNDEXQGKWJBBE-INIZCTEOSA-N 0 1 291.398 3.533 20 0 CHADMN CC[N@@H+](Cc1cccc(F)c1)Cc1ccc(F)cc1OC ZINC001231604803 1132325291 /nfs/dbraw/zinc/32/52/91/1132325291.db2.gz GVPIKLNKMSILHP-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1ccc(F)cc1OC ZINC001231604803 1132325298 /nfs/dbraw/zinc/32/52/98/1132325298.db2.gz GVPIKLNKMSILHP-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN Fc1cc(F)cc(N[C@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000638219563 1132326423 /nfs/dbraw/zinc/32/64/23/1132326423.db2.gz VLCSMBSJOIHLFF-AWEZNQCLSA-N 0 1 292.333 3.816 20 0 CHADMN COc1cc(F)ccc1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001231604279 1132327207 /nfs/dbraw/zinc/32/72/07/1132327207.db2.gz XNORSXNNQDYDCK-CZUORRHYSA-N 0 1 277.383 3.989 20 0 CHADMN Clc1ccc(CN2CC[C@H](OCC3CCC3)C2)cc1 ZINC001206177558 1132330020 /nfs/dbraw/zinc/33/00/20/1132330020.db2.gz RTTBRYQHLSMTLS-INIZCTEOSA-N 0 1 279.811 3.731 20 0 CHADMN C[C@@H](Cc1c(F)cccc1Cl)N1CCC(F)CC1 ZINC001172848372 1132338837 /nfs/dbraw/zinc/33/88/37/1132338837.db2.gz VFTANENDCSPVPY-JTQLQIEISA-N 0 1 273.754 3.844 20 0 CHADMN CC(=O)[C@@H]1CCCN([C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172856094 1132341297 /nfs/dbraw/zinc/34/12/97/1132341297.db2.gz ILXWNRJVIFOCKS-DGCLKSJQSA-N 0 1 297.801 3.711 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC001231675780 1132343108 /nfs/dbraw/zinc/34/31/08/1132343108.db2.gz OIHUMIDAONQSAO-CQSZACIVSA-N 0 1 295.382 3.894 20 0 CHADMN CCCN(CCOC)Cc1nc(-c2ccccc2)cs1 ZINC001231679782 1132343804 /nfs/dbraw/zinc/34/38/04/1132343804.db2.gz DILDDRCUVDKDDI-UHFFFAOYSA-N 0 1 290.432 3.669 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001172859090 1132344352 /nfs/dbraw/zinc/34/43/52/1132344352.db2.gz YCLVWZAAFLUNGL-GRYCIOLGSA-N 0 1 267.775 3.894 20 0 CHADMN CC[C@@H](C)N(C)Cc1c(Cl)cc(OC)cc1OC ZINC001231697774 1132348290 /nfs/dbraw/zinc/34/82/90/1132348290.db2.gz IVRZDXDCWLCOIJ-SNVBAGLBSA-N 0 1 271.788 3.588 20 0 CHADMN COc1cccc(CN(C)Cc2ccc(Cl)c(O)c2)c1 ZINC001231738675 1132351799 /nfs/dbraw/zinc/35/17/99/1132351799.db2.gz SKPSWCHJBZUHLD-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN C[C@@H](CSc1ccc(Cl)cc1)NCc1cnco1 ZINC001172872772 1132352923 /nfs/dbraw/zinc/35/29/23/1132352923.db2.gz FBVKBLKQNXAKKW-JTQLQIEISA-N 0 1 282.796 3.598 20 0 CHADMN Cc1ccccc1C[N@H+](C)Cc1ccc(Cl)c([O-])c1 ZINC001231739255 1132352925 /nfs/dbraw/zinc/35/29/25/1132352925.db2.gz ZBNGZHIRNQMJQN-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN Cc1ccccc1C[N@@H+](C)Cc1ccc(Cl)c([O-])c1 ZINC001231739255 1132352933 /nfs/dbraw/zinc/35/29/33/1132352933.db2.gz ZBNGZHIRNQMJQN-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN CCCCc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)CC2)cc1 ZINC001231780355 1132358220 /nfs/dbraw/zinc/35/82/20/1132358220.db2.gz OYUSJTJLKCOMAQ-HNNXBMFYSA-N 0 1 273.420 3.830 20 0 CHADMN CCCCc1ccc(CN2CCC(=O)[C@@H](C)CC2)cc1 ZINC001231780355 1132358227 /nfs/dbraw/zinc/35/82/27/1132358227.db2.gz OYUSJTJLKCOMAQ-HNNXBMFYSA-N 0 1 273.420 3.830 20 0 CHADMN CCCc1ccc(CN2CCC(=O)[C@H]3CCCC[C@H]32)cc1 ZINC001142348695 1132372679 /nfs/dbraw/zinc/37/26/79/1132372679.db2.gz IYXPQWXIAPZQDE-ZWKOTPCHSA-N 0 1 285.431 3.973 20 0 CHADMN CC1(C)CN(Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001231825098 1132373230 /nfs/dbraw/zinc/37/32/30/1132373230.db2.gz UHVFSLSJJDSYOT-UHFFFAOYSA-N 0 1 291.288 3.765 20 0 CHADMN CCCc1ccc(CN2CCC[C@@H]2c2cnccn2)cc1 ZINC001142364308 1132375157 /nfs/dbraw/zinc/37/51/57/1132375157.db2.gz PZWWPRVIYYULAD-GOSISDBHSA-N 0 1 281.403 3.766 20 0 CHADMN CCCN(Cc1cnc(SC)nc1Cl)[C@@H](C)CC ZINC001142408447 1132382867 /nfs/dbraw/zinc/38/28/67/1132382867.db2.gz MSTGKZLRPJFYKI-JTQLQIEISA-N 0 1 287.860 3.862 20 0 CHADMN COC[C@H]1CC[N@H+]1Cc1sc(Cl)c2ccccc21 ZINC001249076267 1132387359 /nfs/dbraw/zinc/38/73/59/1132387359.db2.gz VCEFVFQQNSOZHP-SNVBAGLBSA-N 0 1 281.808 3.775 20 0 CHADMN COC[C@H]1CCN1Cc1sc(Cl)c2ccccc21 ZINC001249076267 1132387363 /nfs/dbraw/zinc/38/73/63/1132387363.db2.gz VCEFVFQQNSOZHP-SNVBAGLBSA-N 0 1 281.808 3.775 20 0 CHADMN CSc1ncc(CN(C)CC2CCCCC2)c(Cl)n1 ZINC001142432214 1132387760 /nfs/dbraw/zinc/38/77/60/1132387760.db2.gz VVZROTDDOGKDMC-UHFFFAOYSA-N 0 1 299.871 3.864 20 0 CHADMN Cc1ccccc1CN(C)Cc1ccnc(C(F)F)c1 ZINC001231889914 1132394186 /nfs/dbraw/zinc/39/41/86/1132394186.db2.gz DQFMLSVPUUJRTF-UHFFFAOYSA-N 0 1 276.330 3.960 20 0 CHADMN CC[N@@H+](Cc1c[nH]c2c1cccc2OC)Cc1ccccn1 ZINC001231898847 1132396121 /nfs/dbraw/zinc/39/61/21/1132396121.db2.gz HAOAUSXLUHMYAG-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN CCCCCN(C)Cc1cc(Br)ncc1F ZINC001231913807 1132400560 /nfs/dbraw/zinc/40/05/60/1132400560.db2.gz RRAHTDZDXMDCCC-UHFFFAOYSA-N 0 1 289.192 3.605 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc(F)cc2C)cc1C ZINC001231984790 1132405158 /nfs/dbraw/zinc/40/51/58/1132405158.db2.gz DGYMBRZWSLYAOR-UHFFFAOYSA-N 0 1 272.367 3.778 20 0 CHADMN Cc1cc(F)ncc1CN1CCC[C@H]1c1ccccc1 ZINC001231984446 1132405434 /nfs/dbraw/zinc/40/54/34/1132405434.db2.gz CHPKULOMPFXVAI-INIZCTEOSA-N 0 1 270.351 3.866 20 0 CHADMN CCCCC1CCN(Cc2cnc(F)cc2C)CC1 ZINC001231982124 1132405646 /nfs/dbraw/zinc/40/56/46/1132405646.db2.gz VIRHWVJAFFNZKC-UHFFFAOYSA-N 0 1 264.388 3.931 20 0 CHADMN CN(Cc1ncc(C(F)(F)F)cc1Cl)CC1CCC1 ZINC001142551080 1132407221 /nfs/dbraw/zinc/40/72/21/1132407221.db2.gz PITGCQMQBIWMCS-UHFFFAOYSA-N 0 1 292.732 3.986 20 0 CHADMN O=C([O-])c1cc(Cl)ccc1C[N@H+]1CCC2(CCCC2)C1 ZINC001142656110 1132417628 /nfs/dbraw/zinc/41/76/28/1132417628.db2.gz COJHMVQYBYIGPL-UHFFFAOYSA-N 0 1 293.794 3.804 20 0 CHADMN C[C@H]1CCCCC[N@H+]1Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142657295 1132418175 /nfs/dbraw/zinc/41/81/75/1132418175.db2.gz URUVATKHFZNAGW-NSHDSACASA-N 0 1 281.783 3.803 20 0 CHADMN O=C([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001142660031 1132419336 /nfs/dbraw/zinc/41/93/36/1132419336.db2.gz BLFANZRQANAVOI-ABAIWWIYSA-N 0 1 293.794 3.803 20 0 CHADMN C[N@H+](Cc1ccc(Cl)cc1C(=O)[O-])C[C@@H]1CC1(C)C ZINC001142660022 1132419615 /nfs/dbraw/zinc/41/96/15/1132419615.db2.gz ARYQGENUAOVKRG-NSHDSACASA-N 0 1 281.783 3.516 20 0 CHADMN CCC[C@H]1CCCCN1Cc1cn(C)nc1C(F)(F)F ZINC001232088310 1132419845 /nfs/dbraw/zinc/41/98/45/1132419845.db2.gz NGLLNQBYANQDBI-LBPRGKRZSA-N 0 1 289.345 3.594 20 0 CHADMN Cc1ccc(CN2CCCC[C@H]2c2cccnc2)c(C)n1 ZINC001232083823 1132420849 /nfs/dbraw/zinc/42/08/49/1132420849.db2.gz PBUOFMDFADXLLL-SFHVURJKSA-N 0 1 281.403 3.821 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142664015 1132420969 /nfs/dbraw/zinc/42/09/69/1132420969.db2.gz ZIAMOUIGZMWUNA-AWEZNQCLSA-N 0 1 281.783 3.659 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cc3ccncc3[nH]2)cn1 ZINC001232095290 1132422943 /nfs/dbraw/zinc/42/29/43/1132422943.db2.gz BIHQNQIRGJXOBQ-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN CCCC[C@@H](CC(C)C)NC1(c2nc(C)no2)CC1 ZINC001173255837 1132424205 /nfs/dbraw/zinc/42/42/05/1132424205.db2.gz GVCRKKRAYQLTSK-ZDUSSCGKSA-N 0 1 265.401 3.562 20 0 CHADMN Clc1cccc2c1CCN(Cc1cccc3[nH]cnc31)C2 ZINC001142689406 1132425907 /nfs/dbraw/zinc/42/59/07/1132425907.db2.gz FWDDQMAJMMNROG-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN CCC(CC)N(C)Cc1ncc(C)cc1Br ZINC001232177142 1132431537 /nfs/dbraw/zinc/43/15/37/1132431537.db2.gz JQNOKYCWKKIQBR-UHFFFAOYSA-N 0 1 285.229 3.773 20 0 CHADMN CC(C)CC(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001142710067 1132433399 /nfs/dbraw/zinc/43/33/99/1132433399.db2.gz IPXBNEKCTPOKNH-UHFFFAOYSA-N 0 1 262.136 3.684 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccns2)cc1 ZINC001232193188 1132433966 /nfs/dbraw/zinc/43/39/66/1132433966.db2.gz UJKCMURSEFHHMF-HNNXBMFYSA-N 0 1 258.390 3.789 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2ccns2)cc1 ZINC001232193188 1132433968 /nfs/dbraw/zinc/43/39/68/1132433968.db2.gz UJKCMURSEFHHMF-HNNXBMFYSA-N 0 1 258.390 3.789 20 0 CHADMN c1cn(C2CCN(Cc3cnsc3)CC2)c2ccccc12 ZINC001232229717 1132440334 /nfs/dbraw/zinc/44/03/34/1132440334.db2.gz UKOYKBDYXNLCPF-UHFFFAOYSA-N 0 1 297.427 3.935 20 0 CHADMN CC[C@@H]1CC[C@H](N2Cc3cnn(-c4ccccc4)c3C2)C1 ZINC001173294747 1132443745 /nfs/dbraw/zinc/44/37/45/1132443745.db2.gz OSUSLYJJBQVZJJ-PBHICJAKSA-N 0 1 281.403 3.767 20 0 CHADMN CCCCC[C@@H](CC)c1nc(C2(N)CCCC2)no1 ZINC000842593447 1132444020 /nfs/dbraw/zinc/44/40/20/1132444020.db2.gz ZJPZWYXFJNCWHF-GFCCVEGCSA-N 0 1 265.401 3.872 20 0 CHADMN Cc1sc(CN2CCCCC2)cc1Br ZINC001232288997 1132448348 /nfs/dbraw/zinc/44/83/48/1132448348.db2.gz FVXNNLJTGUIMPI-UHFFFAOYSA-N 0 1 274.227 3.805 20 0 CHADMN CN(Cc1ccccc1F)Cc1ccc(O)c2ncccc12 ZINC001232278835 1132448535 /nfs/dbraw/zinc/44/85/35/1132448535.db2.gz HKRUTRARKZDNTJ-UHFFFAOYSA-N 0 1 296.345 3.712 20 0 CHADMN CCN(c1ccc(N[C@H]2CO[C@H](C)C2)cc1)C(C)C ZINC000842672711 1132449419 /nfs/dbraw/zinc/44/94/19/1132449419.db2.gz ZOQBZHDCFHVTCZ-UKRRQHHQSA-N 0 1 262.397 3.511 20 0 CHADMN Cc1cc(C)cc([C@H](N[C@H]2CO[C@@H](C)C2)c2cccnc2)c1 ZINC000842677801 1132450317 /nfs/dbraw/zinc/45/03/17/1132450317.db2.gz XDWKKFFPAOKHJB-KFKAGJAMSA-N 0 1 296.414 3.555 20 0 CHADMN CCOc1ccc(CN2CCC(F)(F)C(C)(C)C2)c(C)n1 ZINC001232309747 1132451967 /nfs/dbraw/zinc/45/19/67/1132451967.db2.gz MIRAKVOCKYDOHG-UHFFFAOYSA-N 0 1 298.377 3.656 20 0 CHADMN CCOc1ncc(CN2Cc3ccccc3C[C@H]2C)cc1C ZINC001232307247 1132453282 /nfs/dbraw/zinc/45/32/82/1132453282.db2.gz UGWFJJSBEIBRAY-OAHLLOKOSA-N 0 1 296.414 3.736 20 0 CHADMN Cc1nc(Br)ccc1CN1C[C@H](C)C[C@@H](C)C1 ZINC001232324534 1132453993 /nfs/dbraw/zinc/45/39/93/1132453993.db2.gz ZLZYBGMQVMTBIC-GHMZBOCLSA-N 0 1 297.240 3.630 20 0 CHADMN CSc1ccc(CN2CCC(F)(F)C(C)(C)C2)cn1 ZINC001232327156 1132454761 /nfs/dbraw/zinc/45/47/61/1132454761.db2.gz MPTTZIVINXZMOJ-UHFFFAOYSA-N 0 1 286.391 3.671 20 0 CHADMN Cc1cc(Br)ncc1CN1CCC[C@@H]1C(C)C ZINC001232318359 1132455083 /nfs/dbraw/zinc/45/50/83/1132455083.db2.gz ITBMTJZADAQVLJ-CYBMUJFWSA-N 0 1 297.240 3.773 20 0 CHADMN COc1cc(CN2CCCC2(C)C)c(OC)cc1Cl ZINC001232370259 1132460138 /nfs/dbraw/zinc/46/01/38/1132460138.db2.gz MHSNKOZHZYUDQN-UHFFFAOYSA-N 0 1 283.799 3.732 20 0 CHADMN COc1ccc(OC(C)C)c(CN2CC3(C2)CCCC3)c1 ZINC001232386334 1132462741 /nfs/dbraw/zinc/46/27/41/1132462741.db2.gz OLGLBHPPEQCOIT-UHFFFAOYSA-N 0 1 289.419 3.858 20 0 CHADMN Cc1cccc(CN(C)C[C@@H]2CCCCO2)c1OC(C)C ZINC001232392748 1132464309 /nfs/dbraw/zinc/46/43/09/1132464309.db2.gz ZWIRKPOJBWSPOI-KRWDZBQOSA-N 0 1 291.435 3.783 20 0 CHADMN Cc1ccc(OC(C)C)c(CN(C)C[C@H]2CCCCO2)c1 ZINC001232397561 1132465378 /nfs/dbraw/zinc/46/53/78/1132465378.db2.gz QDLPTPVGYDEGDM-QGZVFWFLSA-N 0 1 291.435 3.783 20 0 CHADMN Cc1c(F)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1F ZINC001232420722 1132467199 /nfs/dbraw/zinc/46/71/99/1132467199.db2.gz SFFURUBZYAKHQI-BETUJISGSA-N 0 1 251.320 3.505 20 0 CHADMN Fc1ccc2nc(C[N@H+]3CCC4(C3)CCCCC4)cn2c1 ZINC001232415943 1132468037 /nfs/dbraw/zinc/46/80/37/1132468037.db2.gz QRXIRSNNPAMFGK-UHFFFAOYSA-N 0 1 287.382 3.630 20 0 CHADMN Fc1ccc2nc(CN3CCC4(C3)CCCCC4)cn2c1 ZINC001232415943 1132468039 /nfs/dbraw/zinc/46/80/39/1132468039.db2.gz QRXIRSNNPAMFGK-UHFFFAOYSA-N 0 1 287.382 3.630 20 0 CHADMN NCc1nc2cnccc2n1[C@@H]1CCCC2(CCCCC2)C1 ZINC001173344041 1132469727 /nfs/dbraw/zinc/46/97/27/1132469727.db2.gz KZMZUEMYXZCEHR-CQSZACIVSA-N 0 1 298.434 3.956 20 0 CHADMN c1cnc(C2(N[C@H]3CCCC4(CCCCC4)C3)CC2)nc1 ZINC001173345178 1132470078 /nfs/dbraw/zinc/47/00/78/1132470078.db2.gz RICBTROPFQZSEM-HNNXBMFYSA-N 0 1 285.435 3.948 20 0 CHADMN F[C@@H]1CN([C@@H]2CCCC3(CCCCC3)C2)C[C@@H]1F ZINC001173345928 1132472078 /nfs/dbraw/zinc/47/20/78/1132472078.db2.gz IDWMFLKVZFKIPM-MCIONIFRSA-N 0 1 257.368 3.871 20 0 CHADMN Cc1cccc(N2CCN(Cc3c(C)cccc3F)CC2)c1 ZINC001232482130 1132478186 /nfs/dbraw/zinc/47/81/86/1132478186.db2.gz NXVKTZRUXZSRGZ-UHFFFAOYSA-N 0 1 298.405 3.765 20 0 CHADMN Fc1ccnc(CN2CCCC[C@@H]2c2ccccc2)c1 ZINC001232490518 1132480144 /nfs/dbraw/zinc/48/01/44/1132480144.db2.gz LKPQQVZOALSOBQ-QGZVFWFLSA-N 0 1 270.351 3.948 20 0 CHADMN COc1cc(C)c(CN2CC[C@](C)(F)[C@@H](F)C2)c(C)c1 ZINC001142933603 1132483221 /nfs/dbraw/zinc/48/32/21/1132483221.db2.gz XFUSNPBRZHLOIL-HOTGVXAUSA-N 0 1 283.362 3.584 20 0 CHADMN Fc1cccc(F)c1CNC1Cc2cc(F)c(F)cc2C1 ZINC001173472474 1132483543 /nfs/dbraw/zinc/48/35/43/1132483543.db2.gz HBCBYCKUIFXKMO-UHFFFAOYSA-N 0 1 295.279 3.500 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1cccc(CF)n1 ZINC001232538978 1132485756 /nfs/dbraw/zinc/48/57/56/1132485756.db2.gz WFIQWZWJFHBVDO-UHFFFAOYSA-N 0 1 288.366 3.582 20 0 CHADMN CN(Cc1ncc(Cl)cc1Cl)C[C@H]1CC1(C)C ZINC001232575208 1132486955 /nfs/dbraw/zinc/48/69/55/1132486955.db2.gz UBMLVPUIRHYZFN-SECBINFHSA-N 0 1 273.207 3.866 20 0 CHADMN F[C@@H]1CCC2(C1)CCN(Cc1nc3ccccc3o1)CC2 ZINC001232558718 1132487798 /nfs/dbraw/zinc/48/77/98/1132487798.db2.gz TZXGFHBTOQCVRY-CYBMUJFWSA-N 0 1 288.366 3.932 20 0 CHADMN c1cc2cc(CN(Cc3ccccc3)C3CC3)ncc2o1 ZINC001232553818 1132488301 /nfs/dbraw/zinc/48/83/01/1132488301.db2.gz GLUVHDPXVULUOI-UHFFFAOYSA-N 0 1 278.355 3.992 20 0 CHADMN CCOc1ccnc(CN2CCC3(CC[C@H](F)C3)CC2)c1 ZINC001232584488 1132489472 /nfs/dbraw/zinc/48/94/72/1132489472.db2.gz FYFDNAGBYWIYGN-AWEZNQCLSA-N 0 1 292.398 3.585 20 0 CHADMN CCOc1ccnc(CN(Cc2ccccc2)C2CC2)c1 ZINC001232585137 1132490424 /nfs/dbraw/zinc/49/04/24/1132490424.db2.gz ZYBBCXOZCCUJCX-UHFFFAOYSA-N 0 1 282.387 3.645 20 0 CHADMN Fc1ccccc1[C@H]1CCCN1Cc1ccc2nccn2c1 ZINC001143028690 1132494080 /nfs/dbraw/zinc/49/40/80/1132494080.db2.gz GYXLCYNLHHMBFE-QGZVFWFLSA-N 0 1 295.361 3.811 20 0 CHADMN COc1cccc(C)c1CN(C)Cc1ccsc1 ZINC001232625630 1132497145 /nfs/dbraw/zinc/49/71/45/1132497145.db2.gz REVFCQIIGFJZLJ-UHFFFAOYSA-N 0 1 261.390 3.697 20 0 CHADMN CC[C@@H](C)c1ccc(-c2nc([C@H](N)C(C)C)no2)cc1 ZINC000843149203 1132498706 /nfs/dbraw/zinc/49/87/06/1132498706.db2.gz JJQGDCBGWBYIJF-BXUZGUMPSA-N 0 1 273.380 3.906 20 0 CHADMN [O-]c1c(Cl)ccc(C[NH+]2CCC(CF)CC2)c1Cl ZINC001232632433 1132498775 /nfs/dbraw/zinc/49/87/75/1132498775.db2.gz ZHZIPFMLKYIRKS-UHFFFAOYSA-N 0 1 292.181 3.881 20 0 CHADMN Cc1c2cc(F)ccc2oc1-c1nc([C@@H](N)C(C)C)no1 ZINC000843147772 1132498993 /nfs/dbraw/zinc/49/89/93/1132498993.db2.gz FBNLKBUDIGANQW-LBPRGKRZSA-N 0 1 289.310 3.586 20 0 CHADMN COc1cccc(C)c1CN1CCC[C@@H](C(F)(F)F)C1 ZINC001232626857 1132499115 /nfs/dbraw/zinc/49/91/15/1132499115.db2.gz HSUVCXQWHLGNBG-GFCCVEGCSA-N 0 1 287.325 3.778 20 0 CHADMN CCCCc1ccc(-c2nc([C@H](N)C(C)C)no2)cc1 ZINC000843148938 1132499155 /nfs/dbraw/zinc/49/91/55/1132499155.db2.gz ZYNKKNBTKWTKLY-CQSZACIVSA-N 0 1 273.380 3.735 20 0 CHADMN Brc1coc(CN2CCCCCCC2)c1 ZINC001232857402 1132530801 /nfs/dbraw/zinc/53/08/01/1132530801.db2.gz PFMGEBXKGGOVOV-UHFFFAOYSA-N 0 1 272.186 3.808 20 0 CHADMN CCS[C@H](C)c1noc([C@H](CC(C)(C)C)NC)n1 ZINC000843191028 1132501589 /nfs/dbraw/zinc/50/15/89/1132501589.db2.gz AIPPLUZYEOBDTF-ZJUUUORDSA-N 0 1 271.430 3.580 20 0 CHADMN CCCN[C@H](C)c1nc(C(C)(C)c2cccc(F)c2)no1 ZINC000843220043 1132505073 /nfs/dbraw/zinc/50/50/73/1132505073.db2.gz ALWCBTRDAIBLEQ-LLVKDONJSA-N 0 1 291.370 3.595 20 0 CHADMN CN(Cc1ccc(Br)[nH]1)Cc1ccc(F)cc1 ZINC001232684360 1132505514 /nfs/dbraw/zinc/50/55/14/1132505514.db2.gz QDFFKHOBLFSSQG-UHFFFAOYSA-N 0 1 297.171 3.548 20 0 CHADMN COc1cc(C)cc(OC)c1CN1CCCC(F)(F)CC1 ZINC001143132575 1132505561 /nfs/dbraw/zinc/50/55/61/1132505561.db2.gz FKCXRIQWUVNTCS-UHFFFAOYSA-N 0 1 299.361 3.633 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2ccc(C)c(Cl)c2)no1 ZINC000843234085 1132505733 /nfs/dbraw/zinc/50/57/33/1132505733.db2.gz CLFHIKSDRMWYPB-JTQLQIEISA-N 0 1 279.771 3.759 20 0 CHADMN Brc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)[nH]1 ZINC001232687203 1132506054 /nfs/dbraw/zinc/50/60/54/1132506054.db2.gz DVEOPKHHKPGMSR-AAEUAGOBSA-N 0 1 297.240 3.932 20 0 CHADMN CCCN[C@@H](C)c1nc(C2(c3cccc(C)c3)CC2)no1 ZINC000843233766 1132506270 /nfs/dbraw/zinc/50/62/70/1132506270.db2.gz OSRHWPZNUTVDHV-ZDUSSCGKSA-N 0 1 285.391 3.519 20 0 CHADMN CCCN[C@H](C)c1nc(-c2ccc(C)c(Cl)c2)no1 ZINC000843234088 1132506491 /nfs/dbraw/zinc/50/64/91/1132506491.db2.gz CLFHIKSDRMWYPB-SNVBAGLBSA-N 0 1 279.771 3.759 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1occc1Br ZINC001143130922 1132506906 /nfs/dbraw/zinc/50/69/06/1132506906.db2.gz NEXDVDDDGHRQLU-VHSXEESVSA-N 0 1 272.186 3.663 20 0 CHADMN COc1cc(C)cc(CN2CCc3sccc3C2)c1 ZINC001143154082 1132507393 /nfs/dbraw/zinc/50/73/93/1132507393.db2.gz WQWSAHTZQGEDPV-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN FC1(F)CC2(CN(Cc3cccc4ncsc43)C2)C1 ZINC001232733649 1132512978 /nfs/dbraw/zinc/51/29/78/1132512978.db2.gz MHQHOZANRWNLPH-UHFFFAOYSA-N 0 1 280.343 3.527 20 0 CHADMN FC(F)(F)[C@@H]1CC[N@@H+](Cc2ccc3ncsc3c2)C1 ZINC001232741451 1132513605 /nfs/dbraw/zinc/51/36/05/1132513605.db2.gz LMWZKOONJBNJCT-SNVBAGLBSA-N 0 1 286.322 3.681 20 0 CHADMN FC(F)(F)[C@@H]1CCN(Cc2ccc3ncsc3c2)C1 ZINC001232741451 1132513612 /nfs/dbraw/zinc/51/36/12/1132513612.db2.gz LMWZKOONJBNJCT-SNVBAGLBSA-N 0 1 286.322 3.681 20 0 CHADMN Cc1c(Cl)nccc1CN(C)Cc1ccccc1 ZINC001232749060 1132513832 /nfs/dbraw/zinc/51/38/32/1132513832.db2.gz KSBYOMZSCZUMFD-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN COc1ncc(CN2CC3(CCCCC3)[C@@H]2C(C)C)s1 ZINC001206215466 1132514223 /nfs/dbraw/zinc/51/42/23/1132514223.db2.gz OGBNIPBHFCWDQW-AWEZNQCLSA-N 0 1 294.464 3.942 20 0 CHADMN [O-]c1cccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c1Cl ZINC001232786015 1132520864 /nfs/dbraw/zinc/52/08/64/1132520864.db2.gz NPTLLMBXLAWQOX-NWDGAFQWSA-N 0 1 265.784 3.668 20 0 CHADMN [O-]c1cccc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1Cl ZINC001232786184 1132521297 /nfs/dbraw/zinc/52/12/97/1132521297.db2.gz RFHTZLMWFZISHR-PHIMTYICSA-N 0 1 287.737 3.523 20 0 CHADMN [O-]c1cccc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1Cl ZINC001232786184 1132521303 /nfs/dbraw/zinc/52/13/03/1132521303.db2.gz RFHTZLMWFZISHR-PHIMTYICSA-N 0 1 287.737 3.523 20 0 CHADMN CC[C@H](C)N(C)Cc1ccc(C(F)(F)F)nc1Cl ZINC001232791276 1132521675 /nfs/dbraw/zinc/52/16/75/1132521675.db2.gz NVJFMQXKEZRUJI-QMMMGPOBSA-N 0 1 280.721 3.984 20 0 CHADMN CN(Cc1ccc(C(F)F)cc1)C1CC(F)(F)C1 ZINC001143243164 1132522362 /nfs/dbraw/zinc/52/23/62/1132522362.db2.gz VEZXZYKSFUFXIA-UHFFFAOYSA-N 0 1 261.262 3.854 20 0 CHADMN CCCn1cnc(CN(C)[C@@H](CC)c2ccccc2)c1 ZINC001232803808 1132523735 /nfs/dbraw/zinc/52/37/35/1132523735.db2.gz RIJGERSLXZSJGX-KRWDZBQOSA-N 0 1 271.408 3.876 20 0 CHADMN CC(=CC1CCC(C)CC1)C(=O)Nc1nc(C(C)C)n[nH]1 ZINC001143273768 1132529119 /nfs/dbraw/zinc/52/91/19/1132529119.db2.gz MCLGSVTZMAICPU-XFXZXTDPSA-N 0 1 290.411 3.639 20 0 CHADMN C/C(=C/C1CCC(C)CC1)C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001143273768 1132529127 /nfs/dbraw/zinc/52/91/27/1132529127.db2.gz MCLGSVTZMAICPU-XFXZXTDPSA-N 0 1 290.411 3.639 20 0 CHADMN C[C@H]1CCCCCN1Cc1cc(Br)co1 ZINC001232855056 1132531520 /nfs/dbraw/zinc/53/15/20/1132531520.db2.gz VEKBYOCRWJPAHA-JTQLQIEISA-N 0 1 272.186 3.807 20 0 CHADMN C[C@@H]1Cc2ccccc2C[N@H+]1Cc1c[nH]c2ccc(O)cc12 ZINC001232872389 1132534104 /nfs/dbraw/zinc/53/41/04/1132534104.db2.gz XJPYPOCVFAANKS-CYBMUJFWSA-N 0 1 292.382 3.820 20 0 CHADMN COc1c(F)ccc(CN2CCC[C@@H]3CCC[C@H]32)c1F ZINC001143321513 1132537468 /nfs/dbraw/zinc/53/74/68/1132537468.db2.gz JKTPPTUOZRAUQH-SMDDNHRTSA-N 0 1 281.346 3.738 20 0 CHADMN COc1c(F)ccc(CN2CCC[C@H](C)CC2)c1F ZINC001143320617 1132537599 /nfs/dbraw/zinc/53/75/99/1132537599.db2.gz KZYHNKYSXNJORQ-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN C[C@]1(F)CCN(Cc2ccccc2-n2cccc2)C[C@H]1F ZINC001232909171 1132541426 /nfs/dbraw/zinc/54/14/26/1132541426.db2.gz KGHJNRKTLJUJQM-SJORKVTESA-N 0 1 290.357 3.749 20 0 CHADMN C[C@@]1(F)CCN(Cc2ccccc2-n2cccc2)C[C@H]1F ZINC001232909169 1132541999 /nfs/dbraw/zinc/54/19/99/1132541999.db2.gz KGHJNRKTLJUJQM-IAGOWNOFSA-N 0 1 290.357 3.749 20 0 CHADMN CCN(C)Cc1ccc(OCc2ccccc2)cc1F ZINC001232919629 1132542959 /nfs/dbraw/zinc/54/29/59/1132542959.db2.gz ZEBHLANGFSTZMJ-UHFFFAOYSA-N 0 1 273.351 3.856 20 0 CHADMN CCOc1ccccc1Nc1c(C)nc2ccc(F)cn21 ZINC001173849522 1132552316 /nfs/dbraw/zinc/55/23/16/1132552316.db2.gz FEOHBMLKGXMXCA-UHFFFAOYSA-N 0 1 285.322 3.924 20 0 CHADMN c1cc2c(o1)CCN(Cc1ccc(C3CC3)cc1)C2 ZINC001232985341 1132554932 /nfs/dbraw/zinc/55/49/32/1132554932.db2.gz CIOKDJUPQMZTFJ-UHFFFAOYSA-N 0 1 253.345 3.715 20 0 CHADMN C[C@@H]1CC[N@H+](Cc2cccc([O-])c2Cl)[C@H](C)C1 ZINC000328494362 1132557696 /nfs/dbraw/zinc/55/76/96/1132557696.db2.gz UAJDSOKEHAPWRP-GHMZBOCLSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc([O-])c2Cl)[C@H](C)C1 ZINC000328494362 1132557701 /nfs/dbraw/zinc/55/77/01/1132557701.db2.gz UAJDSOKEHAPWRP-GHMZBOCLSA-N 0 1 253.773 3.666 20 0 CHADMN CC1(C)CCN(Cc2cc(O)cc(Br)c2)CC1 ZINC001232998528 1132559963 /nfs/dbraw/zinc/55/99/63/1132559963.db2.gz WFHPRPZTRJBJPQ-UHFFFAOYSA-N 0 1 298.224 3.777 20 0 CHADMN CCCCN(CC)Cc1sccc1C(=O)OCC ZINC001233017927 1132562350 /nfs/dbraw/zinc/56/23/50/1132562350.db2.gz LYOBEKSROSNAED-UHFFFAOYSA-N 0 1 269.410 3.547 20 0 CHADMN Cc1cc(C)c(CN(Cc2ccccc2)C2CC2)cn1 ZINC001233010261 1132563050 /nfs/dbraw/zinc/56/30/50/1132563050.db2.gz UFFQXAWSXFODJE-UHFFFAOYSA-N 0 1 266.388 3.863 20 0 CHADMN C[N@@H+](Cc1cccc(Cl)c1)Cc1cc(Cl)ncc1O ZINC001233036290 1132564321 /nfs/dbraw/zinc/56/43/21/1132564321.db2.gz OGKGZASPOXUHNO-UHFFFAOYSA-N 0 1 297.185 3.726 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC001151253592 1132566610 /nfs/dbraw/zinc/56/66/10/1132566610.db2.gz YLTQVPPIOQCUOV-JYJNAYRXSA-N 0 1 282.472 3.534 20 0 CHADMN [O-]c1cccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1F ZINC001233054481 1132567703 /nfs/dbraw/zinc/56/77/03/1132567703.db2.gz OCHZJEMJXIUXBG-OKILXGFUSA-N 0 1 283.346 3.618 20 0 CHADMN [O-]c1cccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1F ZINC001233054481 1132567712 /nfs/dbraw/zinc/56/77/12/1132567712.db2.gz OCHZJEMJXIUXBG-OKILXGFUSA-N 0 1 283.346 3.618 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(O)ccc1Br ZINC000131546681 1132568605 /nfs/dbraw/zinc/56/86/05/1132568605.db2.gz BOXCPNCOOWKNJP-LBPRGKRZSA-N 0 1 298.224 3.919 20 0 CHADMN Fc1ccc2c(c1)[nH]nc2CN1CC[C@H]1c1ccccc1 ZINC001233122555 1132572165 /nfs/dbraw/zinc/57/21/65/1132572165.db2.gz AJCBZCRVMSBERY-KRWDZBQOSA-N 0 1 281.334 3.649 20 0 CHADMN Cc1cccc(CN(C)Cc2cnc(C)c(C)c2)c1 ZINC001233156204 1132574304 /nfs/dbraw/zinc/57/43/04/1132574304.db2.gz MCRYCUPDCWRJBS-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN Cc1cc(CN2CCc3ccccc3[C@@H]2C)cnc1C ZINC001233155746 1132574561 /nfs/dbraw/zinc/57/45/61/1132574561.db2.gz BFLKDFKEXDPFJF-HNNXBMFYSA-N 0 1 266.388 3.818 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CCC[C@H]2CCC[C@@H]21 ZINC001233172250 1132576598 /nfs/dbraw/zinc/57/65/98/1132576598.db2.gz NUSCEWTYBNVDFB-DOMZBBRYSA-N 0 1 294.826 3.898 20 0 CHADMN Cc1csc(CN(C)CCc2cccc(Cl)c2)n1 ZINC001204377894 1132577122 /nfs/dbraw/zinc/57/71/22/1132577122.db2.gz IEQHUQYSEWGEMR-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN O=C(Nc1ccccc1C(F)F)c1ccc2cncn2c1 ZINC001152198839 1132578283 /nfs/dbraw/zinc/57/82/83/1132578283.db2.gz YHYBIVWILDGOKQ-UHFFFAOYSA-N 0 1 287.269 3.524 20 0 CHADMN CN(CCC1CC1)Cc1ccc(Cl)c(F)c1F ZINC001233211935 1132580593 /nfs/dbraw/zinc/58/05/93/1132580593.db2.gz HESGEKRXAVVHCD-UHFFFAOYSA-N 0 1 259.727 3.850 20 0 CHADMN CC=CC(=O)N[C@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001152400825 1132581684 /nfs/dbraw/zinc/58/16/84/1132581684.db2.gz IEDHKWFCUYPGCK-FBFPYJBRSA-N 0 1 297.402 3.877 20 0 CHADMN Cc1ccc(CN2CCC(Oc3ccccc3)CC2)cc1O ZINC001233229000 1132584317 /nfs/dbraw/zinc/58/43/17/1132584317.db2.gz AHWHCTRMMKGPKW-UHFFFAOYSA-N 0 1 297.398 3.744 20 0 CHADMN Cc1cc(C)cc(Nc2cccc(N3CCN(C)CC3)c2)c1 ZINC001173830816 1132585626 /nfs/dbraw/zinc/58/56/26/1132585626.db2.gz DDUJDKNILMHBMV-UHFFFAOYSA-N 0 1 295.430 3.799 20 0 CHADMN Cc1ccc(CN2Cc3ccccc3C(C)(C)C2)cc1O ZINC001233234490 1132587033 /nfs/dbraw/zinc/58/70/33/1132587033.db2.gz DJTJAUXFXRYWKZ-UHFFFAOYSA-N 0 1 281.399 3.994 20 0 CHADMN Cc1ccc(Cl)cc1CN(C)Cc1cnc2ccccn12 ZINC001233248395 1132588908 /nfs/dbraw/zinc/58/89/08/1132588908.db2.gz JYIHXHUCHVIYBE-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN C[N@@H+](CCc1ccccc1)Cc1ccc([S-])cc1 ZINC001233258803 1132590439 /nfs/dbraw/zinc/59/04/39/1132590439.db2.gz UXERIXMRIAKNON-UHFFFAOYSA-N 0 1 257.402 3.650 20 0 CHADMN C[N@@H+](CCC(=O)c1ccccc1)Cc1ccc([S-])cc1 ZINC001233261340 1132591828 /nfs/dbraw/zinc/59/18/28/1132591828.db2.gz LLPLHSMQXZWHLU-UHFFFAOYSA-N 0 1 285.412 3.680 20 0 CHADMN CC1(CCC(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)CC1 ZINC001153349778 1132592845 /nfs/dbraw/zinc/59/28/45/1132592845.db2.gz QCXSPRKDVALOHB-UHFFFAOYSA-N 0 1 284.403 3.683 20 0 CHADMN CC1(CCC(=O)Nc2cccc3c2CN(C2CC2)C3)CC1 ZINC001153349778 1132592849 /nfs/dbraw/zinc/59/28/49/1132592849.db2.gz QCXSPRKDVALOHB-UHFFFAOYSA-N 0 1 284.403 3.683 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)c2[nH]1 ZINC001153614061 1132597079 /nfs/dbraw/zinc/59/70/79/1132597079.db2.gz RJDOFIKUACSDAR-YPMHNXCESA-N 0 1 299.418 3.816 20 0 CHADMN Cc1cnsc1CN(C)Cc1cccc2cccnc21 ZINC001233320726 1132598882 /nfs/dbraw/zinc/59/88/82/1132598882.db2.gz KTYSMHCKNWVXRZ-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN COc1cccc([C@H]2CCCN2Cc2cc(C)ns2)c1 ZINC001233313004 1132599420 /nfs/dbraw/zinc/59/94/20/1132599420.db2.gz YUKKMIRWXIQGCP-MRXNPFEDSA-N 0 1 288.416 3.797 20 0 CHADMN COc1cccc([C@@H]2CCCN2Cc2sncc2C)c1 ZINC001233321434 1132602045 /nfs/dbraw/zinc/60/20/45/1132602045.db2.gz OIZPXYHZTWDZJI-HNNXBMFYSA-N 0 1 288.416 3.797 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Cc3ccccc3)cc2)C[C@H](C)O1 ZINC001233329994 1132602203 /nfs/dbraw/zinc/60/22/03/1132602203.db2.gz QVXINKAYNFHLOA-CALCHBBNSA-N 0 1 295.426 3.887 20 0 CHADMN CSc1cccc(Cl)c1CN1CCCO[C@@H](C)C1 ZINC001233350465 1132602988 /nfs/dbraw/zinc/60/29/88/1132602988.db2.gz IGBCXDARWLIXOB-NSHDSACASA-N 0 1 285.840 3.673 20 0 CHADMN CC(=O)[C@@H]1CCCN1Cc1ccc(Cc2ccccc2)cc1 ZINC001233331933 1132604239 /nfs/dbraw/zinc/60/42/39/1132604239.db2.gz QYPAEKKXZSOFAW-FQEVSTJZSA-N 0 1 293.410 3.831 20 0 CHADMN COc1cc(F)c(CN2CC[C@H]3CCC[C@H]3C2)cc1F ZINC001233341208 1132606814 /nfs/dbraw/zinc/60/68/14/1132606814.db2.gz HYRFXAQHPUXIND-NEPJUHHUSA-N 0 1 281.346 3.595 20 0 CHADMN C[C@@H]1CCN(Cc2cnc3cccc(Cl)n23)[C@H](C)C1 ZINC001233359433 1132609408 /nfs/dbraw/zinc/60/94/08/1132609408.db2.gz WJIQBLSVJRFOTC-VXGBXAGGSA-N 0 1 277.799 3.608 20 0 CHADMN C[C@H]1CCN(Cc2cnc3cccc(Cl)n23)[C@@H](C)C1 ZINC001233359432 1132609441 /nfs/dbraw/zinc/60/94/41/1132609441.db2.gz WJIQBLSVJRFOTC-RYUDHWBXSA-N 0 1 277.799 3.608 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1cccc2nccn21 ZINC001233363675 1132612870 /nfs/dbraw/zinc/61/28/70/1132612870.db2.gz UCBFNZMDIFVIPQ-AWEZNQCLSA-N 0 1 295.386 3.536 20 0 CHADMN COc1cccc([C@H]2CCCCN2Cc2cnc(C)o2)c1 ZINC001233367217 1132612907 /nfs/dbraw/zinc/61/29/07/1132612907.db2.gz RUFBPOSMRMUTKW-QGZVFWFLSA-N 0 1 286.375 3.719 20 0 CHADMN C[N@@H+](Cc1cc(F)c(F)cc1N)[C@H]1CCc2ccccc21 ZINC001233382838 1132613366 /nfs/dbraw/zinc/61/33/66/1132613366.db2.gz LCIYEJVHBSUSJF-KRWDZBQOSA-N 0 1 288.341 3.666 20 0 CHADMN CN(Cc1cccc(Cl)c1)Cc1cc(F)c(F)cc1N ZINC001233380485 1132614274 /nfs/dbraw/zinc/61/42/74/1132614274.db2.gz RCNZZYDFDPXEAS-UHFFFAOYSA-N 0 1 296.748 3.832 20 0 CHADMN CCCCC1CCN(Cc2cc(F)c(F)cc2N)CC1 ZINC001233378853 1132614540 /nfs/dbraw/zinc/61/45/40/1132614540.db2.gz IQKXDSXOHAVGHZ-UHFFFAOYSA-N 0 1 282.378 3.949 20 0 CHADMN CC(C)(C)C1CCN(Cc2cc(F)c(F)cc2N)CC1 ZINC001233378412 1132614547 /nfs/dbraw/zinc/61/45/47/1132614547.db2.gz RJXXODGZQFWMDT-UHFFFAOYSA-N 0 1 282.378 3.805 20 0 CHADMN C[C@H]1CN(Cc2c(F)ccc(O)c2F)CCC[C@@H]1C ZINC001233393911 1132615424 /nfs/dbraw/zinc/61/54/24/1132615424.db2.gz QWPCOPJSKDJUKN-QWRGUYRKSA-N 0 1 269.335 3.538 20 0 CHADMN COc1ccc(CN2CC[C@H]3CCC[C@H]3C2)c(Cl)c1O ZINC001233398466 1132615940 /nfs/dbraw/zinc/61/59/40/1132615940.db2.gz MTVMNGYGCWIACJ-NEPJUHHUSA-N 0 1 295.810 3.676 20 0 CHADMN Clc1ccn2cc(CN3CC[C@@H]4CCC[C@@H]4C3)nc2c1 ZINC001233389691 1132617108 /nfs/dbraw/zinc/61/71/08/1132617108.db2.gz UVPBNRLYPWLPIB-QWHCGFSZSA-N 0 1 289.810 3.610 20 0 CHADMN Clc1cccn2cc(CN3CC[C@@H]4CCC[C@@H]4C3)nc12 ZINC001233420770 1132620172 /nfs/dbraw/zinc/62/01/72/1132620172.db2.gz XMJVDLFTEOVJDT-QWHCGFSZSA-N 0 1 289.810 3.610 20 0 CHADMN CC[C@H](C)N(C)Cc1cc(Br)ncc1Cl ZINC001233425480 1132621408 /nfs/dbraw/zinc/62/14/08/1132621408.db2.gz AFQNGLDJKUDMNW-QMMMGPOBSA-N 0 1 291.620 3.728 20 0 CHADMN CN(CCc1ccccc1)Cc1cn2cccc(Cl)c2n1 ZINC001233419695 1132621426 /nfs/dbraw/zinc/62/14/26/1132621426.db2.gz IXHCSZAYSSFPLI-UHFFFAOYSA-N 0 1 299.805 3.662 20 0 CHADMN C[C@H]1CCCCCN1Cc1cn2cccc(Cl)c2n1 ZINC001233422515 1132621675 /nfs/dbraw/zinc/62/16/75/1132621675.db2.gz KKCIFLJXSYHJIJ-LBPRGKRZSA-N 0 1 277.799 3.752 20 0 CHADMN C[C@H]1CCCCCN1Cc1c[nH]c(Br)c1 ZINC001233436170 1132622581 /nfs/dbraw/zinc/62/25/81/1132622581.db2.gz BFIPLPBNNBIKQB-JTQLQIEISA-N 0 1 271.202 3.542 20 0 CHADMN Cc1ccc(-c2ccc(Nc3ccncc3)cn2)cc1 ZINC001173881662 1132623101 /nfs/dbraw/zinc/62/31/01/1132623101.db2.gz DSZVVZICUXGRHF-UHFFFAOYSA-N 0 1 261.328 3.618 20 0 CHADMN CCN(C)Cc1cc(Br)c(Cl)cc1F ZINC001233438852 1132623430 /nfs/dbraw/zinc/62/34/30/1132623430.db2.gz HVYQEEFMRVFQBJ-UHFFFAOYSA-N 0 1 280.568 3.693 20 0 CHADMN Fc1ccc(Oc2ccc(Nc3ccncc3)cn2)cc1 ZINC001173881172 1132623809 /nfs/dbraw/zinc/62/38/09/1132623809.db2.gz DYBUPQAAAQJVRC-UHFFFAOYSA-N 0 1 281.290 3.574 20 0 CHADMN Fc1ccc(Nc2ccncc2)c(Cl)c1Cl ZINC001173884885 1132624667 /nfs/dbraw/zinc/62/46/67/1132624667.db2.gz WOYDBTFLLRBOHJ-UHFFFAOYSA-N 0 1 257.095 3.693 20 0 CHADMN FC(F)(F)Oc1ccc(Nc2ccncc2)c(Cl)c1 ZINC001173883867 1132625040 /nfs/dbraw/zinc/62/50/40/1132625040.db2.gz XWRZAVHUVYHCHS-UHFFFAOYSA-N 0 1 288.656 3.799 20 0 CHADMN FC(F)(F)c1cc2ncccc2c(Nc2ccncc2)c1 ZINC001173884521 1132625068 /nfs/dbraw/zinc/62/50/68/1132625068.db2.gz RZUGADJMQYOSRU-UHFFFAOYSA-N 0 1 289.260 3.814 20 0 CHADMN Fc1cc(Nc2ccncc2)cc(OCc2ccccc2)c1 ZINC001173884252 1132625128 /nfs/dbraw/zinc/62/51/28/1132625128.db2.gz FDJQXBXTYDIWTK-UHFFFAOYSA-N 0 1 294.329 3.965 20 0 CHADMN Cc1cc(NC(=O)OC(C)(C)C)ccc1Nc1ccncc1 ZINC001173884486 1132625723 /nfs/dbraw/zinc/62/57/23/1132625723.db2.gz QBFJDDWRTZOJGM-UHFFFAOYSA-N 0 1 299.374 3.903 20 0 CHADMN Cc1ccc(Nc2ccncc2)c(C)c1Br ZINC001173884062 1132625737 /nfs/dbraw/zinc/62/57/37/1132625737.db2.gz FPUJVLGPMWDKTH-UHFFFAOYSA-N 0 1 277.165 3.626 20 0 CHADMN Nc1cc(Cl)c(C(F)(F)F)cc1Nc1ccncc1 ZINC001173883804 1132625754 /nfs/dbraw/zinc/62/57/54/1132625754.db2.gz UFOBJBCRQFSMBF-UHFFFAOYSA-N 0 1 287.672 3.502 20 0 CHADMN CCC(CC)Oc1ccccc1Nc1ccncc1 ZINC001173884270 1132625894 /nfs/dbraw/zinc/62/58/94/1132625894.db2.gz LEWLQIYPHWUARD-UHFFFAOYSA-N 0 1 256.349 3.815 20 0 CHADMN CC(C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCN2C(C)(C)C)CC1 ZINC001154886691 1132629367 /nfs/dbraw/zinc/62/93/67/1132629367.db2.gz VYHMBGSELRQNAM-PMPSAXMXSA-N 0 1 294.483 3.580 20 0 CHADMN Cn1cncc1Nc1ccc(OCc2ccccc2)cc1F ZINC001173965410 1132636339 /nfs/dbraw/zinc/63/63/39/1132636339.db2.gz HBJKHSOKPXTIEX-UHFFFAOYSA-N 0 1 297.333 3.882 20 0 CHADMN CC[C@@H](Oc1n[nH]c(=O)cc1Cl)c1cccc(F)c1C ZINC001233587170 1132642311 /nfs/dbraw/zinc/64/23/11/1132642311.db2.gz NUBAKLBXSBDKHN-GFCCVEGCSA-N 0 1 296.729 3.813 20 0 CHADMN Cc1cc2[nH]ccc2c(NC(C)(C)C(=O)c2ccccc2)n1 ZINC001155158972 1132642560 /nfs/dbraw/zinc/64/25/60/1132642560.db2.gz CDKMRPRFQHNGBE-UHFFFAOYSA-N 0 1 293.370 3.945 20 0 CHADMN CCCCCC[C@H](C)Oc1n[nH]c(=O)cc1Cl ZINC001233587576 1132642499 /nfs/dbraw/zinc/64/24/99/1132642499.db2.gz UGHRLEMOHPUJTF-VIFPVBQESA-N 0 1 258.749 3.573 20 0 CHADMN COc1ccc2nc(Cl)cc(NC(=N)C(C)(C)C)c2n1 ZINC001155180997 1132646547 /nfs/dbraw/zinc/64/65/47/1132646547.db2.gz CADAOUWRQROZAM-UHFFFAOYSA-N 0 1 292.770 3.727 20 0 CHADMN COc1cc2ccc(NC(=N)C(C)(C)C)nc2cc1OC ZINC001155180009 1132646640 /nfs/dbraw/zinc/64/66/40/1132646640.db2.gz HKPWIVLYUPPOKA-UHFFFAOYSA-N 0 1 287.363 3.687 20 0 CHADMN COc1ccc2c(C)cc(NC(=N)C(C)(C)C)nc2c1 ZINC001155180287 1132646742 /nfs/dbraw/zinc/64/67/42/1132646742.db2.gz PIGIMEINQZOYHX-UHFFFAOYSA-N 0 1 271.364 3.987 20 0 CHADMN CCOC(=O)c1c(C)nc(Cl)cc1NC(=N)C(C)(C)C ZINC001155181282 1132646983 /nfs/dbraw/zinc/64/69/83/1132646983.db2.gz NJOYYSJVUPYMED-UHFFFAOYSA-N 0 1 297.786 3.655 20 0 CHADMN CCOc1ccnc(N2CCc3c4ccccc4oc3C2)c1 ZINC001155511450 1132659025 /nfs/dbraw/zinc/65/90/25/1132659025.db2.gz KJIQAOFXWOBPIQ-UHFFFAOYSA-N 0 1 294.354 3.789 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(O)c2)C1 ZINC001155606801 1132662716 /nfs/dbraw/zinc/66/27/16/1132662716.db2.gz MXWRYWZGVKVVRK-GFCCVEGCSA-N 0 1 295.810 3.944 20 0 CHADMN O=S(=O)(c1ccccc1N=C1CCCC1)C1CCCC1 ZINC001173999286 1132671176 /nfs/dbraw/zinc/67/11/76/1132671176.db2.gz BNCUJMNGFOHICC-UHFFFAOYSA-N 0 1 291.416 3.883 20 0 CHADMN CC(C)(C)c1nnc(Nc2cnc3ccccc3c2)o1 ZINC001174001302 1132671972 /nfs/dbraw/zinc/67/19/72/1132671972.db2.gz PLCUFFITHHNTSS-UHFFFAOYSA-N 0 1 268.320 3.659 20 0 CHADMN Cc1ccc(Nc2ccccc2N2CCN(C)CC2)c(C)c1 ZINC001174013065 1132679973 /nfs/dbraw/zinc/67/99/73/1132679973.db2.gz RZTSHTOGLPBSJM-UHFFFAOYSA-N 0 1 295.430 3.799 20 0 CHADMN Cc1cnc(N[C@@H](c2ccccc2)c2ccncc2)c(N)c1 ZINC001156096632 1132682351 /nfs/dbraw/zinc/68/23/51/1132682351.db2.gz XEGQJNAQFYMBJY-KRWDZBQOSA-N 0 1 290.370 3.569 20 0 CHADMN CCOc1ccnc(NCCCc2ccc(OC)cc2)c1 ZINC001156166982 1132684741 /nfs/dbraw/zinc/68/47/41/1132684741.db2.gz PZYAMKIWQBMDTH-UHFFFAOYSA-N 0 1 286.375 3.534 20 0 CHADMN Cc1ccc(NCc2cnc3ccccc3c2)nc1C ZINC001156175110 1132686079 /nfs/dbraw/zinc/68/60/79/1132686079.db2.gz MCKVJIZSUMWQEL-UHFFFAOYSA-N 0 1 263.344 3.859 20 0 CHADMN Cc1ccc(N(C)Cc2ccc(-n3ccnc3)cc2)nc1C ZINC001156782751 1132708607 /nfs/dbraw/zinc/70/86/07/1132708607.db2.gz CBIGLBKFJXHTHC-UHFFFAOYSA-N 0 1 292.386 3.521 20 0 CHADMN COCc1cccc(Nc2cnc3cccc(C)n23)c1 ZINC001174094117 1132711482 /nfs/dbraw/zinc/71/14/82/1132711482.db2.gz IPSFHOKJWRXCDE-UHFFFAOYSA-N 0 1 267.332 3.533 20 0 CHADMN CC(C)c1ncc(CNC(=O)c2ccc(C(C)(C)C)cc2)[nH]1 ZINC001157119559 1132722461 /nfs/dbraw/zinc/72/24/61/1132722461.db2.gz MOOSFUHBXXUCDL-UHFFFAOYSA-N 0 1 299.418 3.761 20 0 CHADMN CC[C@H](Cc1ccccc1)C(=O)Nc1ccc2cncn2c1 ZINC001157396045 1132731034 /nfs/dbraw/zinc/73/10/34/1132731034.db2.gz HCEWFCIUFVSGLM-OAHLLOKOSA-N 0 1 293.370 3.542 20 0 CHADMN Cc1cnc(N[C@H]2CCNc3ccccc32)c(C)c1 ZINC001157834483 1132746349 /nfs/dbraw/zinc/74/63/49/1132746349.db2.gz KXJDSFMOCPLJKH-HNNXBMFYSA-N 0 1 253.349 3.667 20 0 CHADMN COc1ccc(Nc2ccc3nccn3c2)cc1Cl ZINC001174151601 1132749288 /nfs/dbraw/zinc/74/92/88/1132749288.db2.gz CARQFLKBWDYAJC-UHFFFAOYSA-N 0 1 273.723 3.740 20 0 CHADMN COc1ccnc(Nc2ccc3c(c2)CCC(C)(C)O3)c1 ZINC001213011903 1132757506 /nfs/dbraw/zinc/75/75/06/1132757506.db2.gz MOHMTIZZAPEOQT-UHFFFAOYSA-N 0 1 284.359 3.937 20 0 CHADMN CC(C)Oc1ccnc(NCCCCc2ccccn2)c1 ZINC001157972955 1132757583 /nfs/dbraw/zinc/75/75/83/1132757583.db2.gz QVECGJQEFUAXRN-UHFFFAOYSA-N 0 1 285.391 3.699 20 0 CHADMN COc1ccnc(NCCOc2cccc3ccccc32)c1 ZINC001158147848 1132764105 /nfs/dbraw/zinc/76/41/05/1132764105.db2.gz LGBIQMORKAGHBF-UHFFFAOYSA-N 0 1 294.354 3.734 20 0 CHADMN COc1cccnc1CN(Cc1ccccc1)C1CCC1 ZINC001206665941 1132766277 /nfs/dbraw/zinc/76/62/77/1132766277.db2.gz ISJYZVBPFFIYHU-UHFFFAOYSA-N 0 1 282.387 3.645 20 0 CHADMN CO[C@H]1CCOc2c(Nc3ccc4nccn4c3)cccc21 ZINC001174279460 1132769837 /nfs/dbraw/zinc/76/98/37/1132769837.db2.gz AKQPSJORQLJSDP-HNNXBMFYSA-N 0 1 295.342 3.548 20 0 CHADMN Cn1ccc2ccc(Nc3ccc4nccn4c3)cc21 ZINC001174280609 1132769910 /nfs/dbraw/zinc/76/99/10/1132769910.db2.gz ZSVPBSSBLWWJKK-UHFFFAOYSA-N 0 1 262.316 3.570 20 0 CHADMN c1cn2cc(Nc3cccnc3-c3ccccn3)ccc2n1 ZINC001174279234 1132769933 /nfs/dbraw/zinc/76/99/33/1132769933.db2.gz YRHMHAVGJLINIJ-UHFFFAOYSA-N 0 1 287.326 3.535 20 0 CHADMN Fc1ccc(Nc2ccc3nccn3c2)c(Cl)c1 ZINC001174276621 1132784298 /nfs/dbraw/zinc/78/42/98/1132784298.db2.gz KQGMVMOEARNGSI-UHFFFAOYSA-N 0 1 261.687 3.870 20 0 CHADMN c1cn2cc(Nc3ccc(N4CCCC4)cc3)ccc2n1 ZINC001174276823 1132785350 /nfs/dbraw/zinc/78/53/50/1132785350.db2.gz QWJFKEYNGLSPIN-UHFFFAOYSA-N 0 1 278.359 3.678 20 0 CHADMN Oc1cc(C(F)(F)F)ccc1Nc1ccc2nccn2c1 ZINC001174278441 1132785445 /nfs/dbraw/zinc/78/54/45/1132785445.db2.gz DYUQHOQPQOOYCS-UHFFFAOYSA-N 0 1 293.248 3.802 20 0 CHADMN Cc1cc(Nc2ccc3nccn3c2)cnc1OC(C)C ZINC001174278625 1132785483 /nfs/dbraw/zinc/78/54/83/1132785483.db2.gz OACGLSKDLORDTJ-UHFFFAOYSA-N 0 1 282.347 3.569 20 0 CHADMN CCOc1ccc(OCC)c(Nc2ccc3nccn3c2)c1 ZINC001174276886 1132785707 /nfs/dbraw/zinc/78/57/07/1132785707.db2.gz VIMPZLMBWROXLE-UHFFFAOYSA-N 0 1 297.358 3.875 20 0 CHADMN Fc1ccc(Cl)c(Nc2ccc3nccn3c2)c1 ZINC001174276731 1132785986 /nfs/dbraw/zinc/78/59/86/1132785986.db2.gz LOENPNOBARNYMP-UHFFFAOYSA-N 0 1 261.687 3.870 20 0 CHADMN Oc1cc2ccccc2cc1Nc1ccc2nccn2c1 ZINC001174278845 1132787443 /nfs/dbraw/zinc/78/74/43/1132787443.db2.gz KUURKGDWLNDPSS-UHFFFAOYSA-N 0 1 275.311 3.937 20 0 CHADMN Cc1cnc(N2CCc3cc(F)c(F)cc3C2)cc1C ZINC001158809809 1132794032 /nfs/dbraw/zinc/79/40/32/1132794032.db2.gz YBZVRXNABQVXRX-UHFFFAOYSA-N 0 1 274.314 3.539 20 0 CHADMN c1ccc([C@H]2C[C@H](Nc3ccc4c(n3)CCC4)CCO2)cc1 ZINC001158793466 1132794075 /nfs/dbraw/zinc/79/40/75/1132794075.db2.gz HBZWFSPMJMMAPP-SJLPKXTDSA-N 0 1 294.398 3.903 20 0 CHADMN Fc1cc(F)c(F)c(Nc2cccc3[nH]ncc32)c1F ZINC001174344272 1132801266 /nfs/dbraw/zinc/80/12/66/1132801266.db2.gz RSLVHPZNOJNRFP-UHFFFAOYSA-N 0 1 281.212 3.863 20 0 CHADMN FC(F)(F)c1cccnc1Nc1cccc2[nH]ncc21 ZINC001174343068 1132801744 /nfs/dbraw/zinc/80/17/44/1132801744.db2.gz PCAHDLDQLAEZFT-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN c1nc(C2CC2)c(Nc2cccc3[nH]ncc32)s1 ZINC001174344554 1132802127 /nfs/dbraw/zinc/80/21/27/1132802127.db2.gz GFJKJMVQCONEIE-UHFFFAOYSA-N 0 1 256.334 3.640 20 0 CHADMN COc1cc(C(C)=O)ccc1Nc1cccc2[nH]ncc21 ZINC001174343691 1132802459 /nfs/dbraw/zinc/80/24/59/1132802459.db2.gz FHXDQQYPYPLLSL-UHFFFAOYSA-N 0 1 281.315 3.518 20 0 CHADMN CCC(=O)c1ccc(Nc2cccc3[nH]ncc32)cc1 ZINC001174345394 1132803085 /nfs/dbraw/zinc/80/30/85/1132803085.db2.gz XXZHTDMAFFFZBA-UHFFFAOYSA-N 0 1 265.316 3.899 20 0 CHADMN CC(C)OC(=O)c1cccc(Nc2cccc3[nH]ncc32)c1 ZINC001174345634 1132803929 /nfs/dbraw/zinc/80/39/29/1132803929.db2.gz KFHGBOSEWZSIAI-UHFFFAOYSA-N 0 1 295.342 3.872 20 0 CHADMN Cc1noc2ccc(Nc3cccc4[nH]ncc43)cc12 ZINC001174345799 1132804746 /nfs/dbraw/zinc/80/47/46/1132804746.db2.gz TXEVJJPFZGWSPQ-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN CCC(=O)c1cccc(Nc2cccc3[nH]ncc32)c1 ZINC001174346652 1132805461 /nfs/dbraw/zinc/80/54/61/1132805461.db2.gz CLXMWUCVVMJKSA-UHFFFAOYSA-N 0 1 265.316 3.899 20 0 CHADMN CCc1ncsc1NC1=CCCN(Cc2ccccc2)C1 ZINC001174396101 1132811610 /nfs/dbraw/zinc/81/16/10/1132811610.db2.gz CUMFTARQONWZKN-UHFFFAOYSA-N 0 1 299.443 3.907 20 0 CHADMN Cn1cncc1Nc1ccc(NCc2ccccc2)cc1 ZINC001159230487 1132817546 /nfs/dbraw/zinc/81/75/46/1132817546.db2.gz RWOSJJJBDOGFEX-UHFFFAOYSA-N 0 1 278.359 3.776 20 0 CHADMN COc1ccc(Nc2cc([C@H]3CCCCN3)no2)c(C)c1 ZINC001159309322 1132828077 /nfs/dbraw/zinc/82/80/77/1132828077.db2.gz SRYKIUOYYDBKNZ-CQSZACIVSA-N 0 1 287.363 3.550 20 0 CHADMN Cc1cc(Nc2cc([C@@H]3CCCCN3)no2)cc(C)c1O ZINC001159313216 1132829248 /nfs/dbraw/zinc/82/92/48/1132829248.db2.gz JWOABNQBDXJGGK-ZDUSSCGKSA-N 0 1 287.363 3.555 20 0 CHADMN Cc1cc(F)cc(C)c1Nc1cc([C@H]2CCCCN2)no1 ZINC001159312671 1132829309 /nfs/dbraw/zinc/82/93/09/1132829309.db2.gz FFFPHJXKQJDXSU-CYBMUJFWSA-N 0 1 289.354 3.989 20 0 CHADMN c1c(Nc2cccc(OC3CC3)c2)onc1[C@@H]1CCCCN1 ZINC001159313461 1132829941 /nfs/dbraw/zinc/82/99/41/1132829941.db2.gz ORCWPEDHLPPTBL-HNNXBMFYSA-N 0 1 299.374 3.774 20 0 CHADMN Oc1cc(Cl)ccc1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159313509 1132830067 /nfs/dbraw/zinc/83/00/67/1132830067.db2.gz PWDSUDQPOPQNKL-JTQLQIEISA-N 0 1 293.754 3.592 20 0 CHADMN COc1cc(Nc2ccc3occc3c2)ncc1C ZINC001174417277 1132833543 /nfs/dbraw/zinc/83/35/43/1132833543.db2.gz NSKMLYVPGUFATM-UHFFFAOYSA-N 0 1 254.289 3.888 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccc2occc2c1 ZINC001174416133 1132855404 /nfs/dbraw/zinc/85/54/04/1132855404.db2.gz BVKLYMASBMMYQB-UHFFFAOYSA-N 0 1 263.300 3.662 20 0 CHADMN CC(C)c1cccc(Nc2ccc3cn[nH]c3c2)n1 ZINC001174497844 1132863866 /nfs/dbraw/zinc/86/38/66/1132863866.db2.gz LWUYOYLCBYRMAW-UHFFFAOYSA-N 0 1 252.321 3.825 20 0 CHADMN O=c1cc(Nc2ccc3c[nH]nc3c2)c2ccccc2[nH]1 ZINC001174497726 1132863965 /nfs/dbraw/zinc/86/39/65/1132863965.db2.gz HBHVLGIENDAYKI-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN CCOc1ccc(F)c(Nc2cccc3[nH]ncc32)c1 ZINC001159575154 1132864288 /nfs/dbraw/zinc/86/42/88/1132864288.db2.gz UPSMCXCGKDPMHN-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN CSc1ccc(Nc2cccc3[nH]ncc32)c(C)n1 ZINC001159574326 1132864324 /nfs/dbraw/zinc/86/43/24/1132864324.db2.gz BVNLYJBTKILHHK-UHFFFAOYSA-N 0 1 270.361 3.732 20 0 CHADMN CC(=O)c1ccsc1Nc1ccc2cn[nH]c2c1 ZINC001174497963 1132864761 /nfs/dbraw/zinc/86/47/61/1132864761.db2.gz DQVIRADYJNBSQB-UHFFFAOYSA-N 0 1 257.318 3.571 20 0 CHADMN c1[nH]nc2cc(Nc3cncc(C4CC4)c3)ccc12 ZINC001174499414 1132867025 /nfs/dbraw/zinc/86/70/25/1132867025.db2.gz VLVJBHLVPUIHTL-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN COc1cc(Nc2ccc3c[nH]nc3c2)cc2cccnc21 ZINC001174500346 1132867129 /nfs/dbraw/zinc/86/71/29/1132867129.db2.gz HTXCDTQINSEACW-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN c1n[nH]c2cc(Nc3cnc(-c4ccccc4)cn3)ccc12 ZINC001174499724 1132869661 /nfs/dbraw/zinc/86/96/61/1132869661.db2.gz VIDLHIMAQUQSNM-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN Cc1cc(Nc2ccsc2C)n(-c2ccncc2)n1 ZINC001174459916 1132870578 /nfs/dbraw/zinc/87/05/78/1132870578.db2.gz BTFLNHKXLLDMMM-UHFFFAOYSA-N 0 1 270.361 3.689 20 0 CHADMN CCOc1ccc(OC)cc1Nc1ccc2c[nH]nc2c1 ZINC001159662035 1132885173 /nfs/dbraw/zinc/88/51/73/1132885173.db2.gz PFKRVBXAQWCLQL-UHFFFAOYSA-N 0 1 283.331 3.714 20 0 CHADMN COc1ccc(C)c(F)c1Nc1ccc2c[nH]nc2c1 ZINC001159662897 1132886499 /nfs/dbraw/zinc/88/64/99/1132886499.db2.gz KIHUAJKNOJFXDO-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN COc1cc(C)cc(F)c1Nc1ccc2c[nH]nc2c1 ZINC001159662784 1132886520 /nfs/dbraw/zinc/88/65/20/1132886520.db2.gz DVOMDXOWLSZHQP-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN COc1cc(Nc2ccc3c[nH]nc3c2)cc(C)c1F ZINC001159662988 1132887783 /nfs/dbraw/zinc/88/77/83/1132887783.db2.gz PAEYXVNWJNKMJP-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN COc1cccc(C)c1Nc1ccc2c[nH]nc2c1 ZINC001174500528 1132901654 /nfs/dbraw/zinc/90/16/54/1132901654.db2.gz QYEYCDHNVPJKDH-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN COc1ccc(C)cc1Nc1ccc2c[nH]nc2c1 ZINC001174500579 1132902404 /nfs/dbraw/zinc/90/24/04/1132902404.db2.gz SRIFQMQDTUZOPB-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN COc1cc(C)c(Nc2ccc3c[nH]nc3c2)c(C)c1 ZINC001174501579 1132902589 /nfs/dbraw/zinc/90/25/89/1132902589.db2.gz ZYVUKASQSKPQMW-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN c1[nH]nc2cc(Nc3cccc4c3OCCC4)ccc12 ZINC001174501396 1132902604 /nfs/dbraw/zinc/90/26/04/1132902604.db2.gz QUOQGEKYXCLJBN-UHFFFAOYSA-N 0 1 265.316 3.632 20 0 CHADMN Cc1cc(C)c(O)c(Nc2ccc3c[nH]nc3c2)c1 ZINC001174500781 1132903071 /nfs/dbraw/zinc/90/30/71/1132903071.db2.gz YDBKKNRXAFBFMQ-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COC(=O)c1cc(C)c(Nc2ccc3c[nH]nc3c2)c(C)c1 ZINC001174501499 1132903079 /nfs/dbraw/zinc/90/30/79/1132903079.db2.gz WFOSXWDPYKEMOS-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN c1nc2cccc(Nc3ccc4c[nH]nc4c3)c2s1 ZINC001174502117 1132904773 /nfs/dbraw/zinc/90/47/73/1132904773.db2.gz SZNJUJBLRIFVTL-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN Cc1cccc2ncc(Nc3ccc4ccn(C)c4c3)n21 ZINC001174517629 1132910734 /nfs/dbraw/zinc/91/07/34/1132910734.db2.gz QOBONZTZDIZOSP-UHFFFAOYSA-N 0 1 276.343 3.878 20 0 CHADMN CC[NH2+]Cc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001159956632 1132928674 /nfs/dbraw/zinc/92/86/74/1132928674.db2.gz NDMGDJNETQKSBI-UHFFFAOYSA-N 0 1 296.292 3.663 20 0 CHADMN Cc1ccc(Nc2ccc(N3CCN(C)CC3)cc2)cc1C ZINC001174633593 1132935671 /nfs/dbraw/zinc/93/56/71/1132935671.db2.gz YTQUEYDFWBIXQB-UHFFFAOYSA-N 0 1 295.430 3.799 20 0 CHADMN CC[C@@H](Nc1cc(OC)ccn1)c1ccccc1C ZINC001160033288 1132937533 /nfs/dbraw/zinc/93/75/33/1132937533.db2.gz OHJMPRWVZMURKP-OAHLLOKOSA-N 0 1 256.349 3.962 20 0 CHADMN C[C@@H](F)CCNC(=O)c1cc(Cl)c2ccccc2c1O ZINC001160095849 1132938998 /nfs/dbraw/zinc/93/89/98/1132938998.db2.gz BLHJVOJAXIJCDT-SECBINFHSA-N 0 1 295.741 3.677 20 0 CHADMN Cc1cccc(C)c1CNCc1nc2cc(F)ccc2n1C ZINC000773397249 1132952769 /nfs/dbraw/zinc/95/27/69/1132952769.db2.gz PYZPWKJLFVJEHJ-UHFFFAOYSA-N 0 1 297.377 3.619 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc(Cl)c1N ZINC001160266168 1132954366 /nfs/dbraw/zinc/95/43/66/1132954366.db2.gz JWSJJWOTAHINEV-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1ccc(Nc2ccc(Cl)cc2N)c2cn[nH]c21 ZINC001160266572 1132954603 /nfs/dbraw/zinc/95/46/03/1132954603.db2.gz LZMWLGWQLOMOIZ-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1cnc(NCc2ccn(Cc3ccccc3)n2)cc1C ZINC001160390268 1132967929 /nfs/dbraw/zinc/96/79/29/1132967929.db2.gz LOJWUGPGALFNDJ-UHFFFAOYSA-N 0 1 292.386 3.555 20 0 CHADMN CCc1ccc(CN2CC[C@@](CF)(C(F)(F)F)C2)o1 ZINC001204389721 1132975743 /nfs/dbraw/zinc/97/57/43/1132975743.db2.gz SRYFNPQATZWHDN-LBPRGKRZSA-N 0 1 279.277 3.566 20 0 CHADMN Cc1cccc([C@@H](C)NC(=O)c2ccc(F)cc2O)c1C ZINC001160774591 1132981219 /nfs/dbraw/zinc/98/12/19/1132981219.db2.gz JQECNYRZBISHKU-GFCCVEGCSA-N 0 1 287.334 3.639 20 0 CHADMN Cc1cnc(NC(C)(C)Cc2ccccc2C)c(N)c1 ZINC001161450483 1133002538 /nfs/dbraw/zinc/00/25/38/1133002538.db2.gz AAKNGGIPUHTQIQ-UHFFFAOYSA-N 0 1 269.392 3.714 20 0 CHADMN CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)c(O)c1 ZINC001161553839 1133004845 /nfs/dbraw/zinc/00/48/45/1133004845.db2.gz OKXGBRNBXGZPNM-AAEUAGOBSA-N 0 1 295.810 3.990 20 0 CHADMN FC(F)(F)CCNc1ccc(C2C=NC(=S)N2)cc1 ZINC001161824066 1133031892 /nfs/dbraw/zinc/03/18/92/1133031892.db2.gz DJUKOUIQKLSABF-UHFFFAOYSA-N 0 1 287.310 3.730 20 0 CHADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)[C@H]1CCC[C@H](C)C1 ZINC001161934265 1133040800 /nfs/dbraw/zinc/04/08/00/1133040800.db2.gz VXQOTHWBQWZTCE-AVGNSLFASA-N 0 1 285.391 3.508 20 0 CHADMN Cc1nc2ccc(N[C@@H](c3ccccc3)C3CC3)nc2[nH]1 ZINC001161962974 1133043849 /nfs/dbraw/zinc/04/38/49/1133043849.db2.gz RIMGCGNTPKPORL-INIZCTEOSA-N 0 1 278.359 3.830 20 0 CHADMN CN(C(=O)c1[nH]nc2ccccc21)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001162242315 1133064098 /nfs/dbraw/zinc/06/40/98/1133064098.db2.gz IYEISDYQWHKWDH-ZFWWWQNUSA-N 0 1 299.418 3.850 20 0 CHADMN Cc1oncc1CNc1ccnc(C2(C(F)(F)F)CC2)c1 ZINC001162274997 1133065875 /nfs/dbraw/zinc/06/58/75/1133065875.db2.gz SGJJYVPVHPZPJT-UHFFFAOYSA-N 0 1 297.280 3.584 20 0 CHADMN C[C@H]1CCCC[C@H]1CNc1ccnc2c1ccn2C ZINC001162531041 1133089948 /nfs/dbraw/zinc/08/99/48/1133089948.db2.gz QXXUKPWHXMZPBN-STQMWFEESA-N 0 1 257.381 3.812 20 0 CHADMN Cc1cnc(NC[C@@H]2CCCc3ccccc32)c(N)c1 ZINC001162555192 1133092269 /nfs/dbraw/zinc/09/22/69/1133092269.db2.gz OASUKTNKOIDHSE-AWEZNQCLSA-N 0 1 267.376 3.504 20 0 CHADMN Cc1ccc(NC2(Cc3ccc(O)cc3)CC2)nc1C ZINC001162730121 1133106491 /nfs/dbraw/zinc/10/64/91/1133106491.db2.gz VCNXVQMQVRWEOK-UHFFFAOYSA-N 0 1 268.360 3.591 20 0 CHADMN Cc1ccc(CNc2ccc(C3C=NC(=S)N3)cc2)cn1 ZINC001162871517 1133118098 /nfs/dbraw/zinc/11/80/98/1133118098.db2.gz MVOQQCWIIQXJRE-UHFFFAOYSA-N 0 1 296.399 3.681 20 0 CHADMN Cc1ccnc(NCCOc2cccc3ccoc32)c1 ZINC001163076798 1133129852 /nfs/dbraw/zinc/12/98/52/1133129852.db2.gz FIAUZXGULXFPNL-UHFFFAOYSA-N 0 1 268.316 3.627 20 0 CHADMN Cc1ccc(NCCOc2cccc3ccoc32)nc1C ZINC001163075809 1133129955 /nfs/dbraw/zinc/12/99/55/1133129955.db2.gz LKLFPCQZHXFMPW-UHFFFAOYSA-N 0 1 282.343 3.936 20 0 CHADMN Cc1c(=O)[nH]n(-c2ccccc2)c1Nc1ncc(C)cc1C ZINC001163110705 1133130357 /nfs/dbraw/zinc/13/03/57/1133130357.db2.gz GIQPOYUSMCPHNJ-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN Cc1cc2ccccc2c(N[C@H](C)c2ccno2)n1 ZINC001163212829 1133136993 /nfs/dbraw/zinc/13/69/93/1133136993.db2.gz IXBHPCMRBDYTMP-LLVKDONJSA-N 0 1 253.305 3.704 20 0 CHADMN COc1cnccc1[C@H](Nc1ncc(C)cc1C)C1CC1 ZINC001163398855 1133147830 /nfs/dbraw/zinc/14/78/30/1133147830.db2.gz QCEFUVFMGCLEAE-MRXNPFEDSA-N 0 1 283.375 3.665 20 0 CHADMN Clc1cc2nc[nH]c2nc1N[C@@H]1CCCC12CCC2 ZINC001163518725 1133155601 /nfs/dbraw/zinc/15/56/01/1133155601.db2.gz UVMIWYWVXDUCOJ-LLVKDONJSA-N 0 1 276.771 3.746 20 0 CHADMN CC(C)c1ccc(N2CCN(C)C[C@@H]2c2ccccc2)nc1 ZINC001163671861 1133164576 /nfs/dbraw/zinc/16/45/76/1133164576.db2.gz GPHUGDHSVSKZBH-GOSISDBHSA-N 0 1 295.430 3.698 20 0 CHADMN Cc1ccc(Cl)c(CNc2cc(N)c(F)cn2)c1F ZINC001163656840 1133164736 /nfs/dbraw/zinc/16/47/36/1133164736.db2.gz WNNVWJVVUSRLBH-UHFFFAOYSA-N 0 1 283.709 3.516 20 0 CHADMN CCOc1cccc(CCNc2cc3nc[nH]c3cc2F)c1 ZINC001163714689 1133167674 /nfs/dbraw/zinc/16/76/74/1133167674.db2.gz YDVBBSKFIPZTLR-UHFFFAOYSA-N 0 1 299.349 3.755 20 0 CHADMN COc1ccncc1NC(=N)C12CC3CC(CC(C3)C1)C2 ZINC001163844104 1133178050 /nfs/dbraw/zinc/17/80/50/1133178050.db2.gz IWGUVLFJMBUCOV-UHFFFAOYSA-N 0 1 285.391 3.696 20 0 CHADMN CCc1ncncc1NC(=N)C12CC3CC(CC(C3)C1)C2 ZINC001163847867 1133179091 /nfs/dbraw/zinc/17/90/91/1133179091.db2.gz FGVRQTOEKHJZOT-UHFFFAOYSA-N 0 1 284.407 3.645 20 0 CHADMN CCCCCC[C@@H](C)CC(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC001163884078 1133183108 /nfs/dbraw/zinc/18/31/08/1133183108.db2.gz BIIOZDSJMHZNHW-ZACQAIPSSA-N 0 1 296.499 3.924 20 0 CHADMN Cc1cc(C)nc(N2CC[C@H](C)C(F)(F)CC2)c1 ZINC001164109103 1133197630 /nfs/dbraw/zinc/19/76/30/1133197630.db2.gz FZYSPPJHASVLIH-NSHDSACASA-N 0 1 254.324 3.570 20 0 CHADMN Cc1ccc(N2CC[C@H](C)C(F)(F)CC2)nc1C ZINC001164109934 1133197719 /nfs/dbraw/zinc/19/77/19/1133197719.db2.gz DNQYTSGETZYFBJ-NSHDSACASA-N 0 1 254.324 3.570 20 0 CHADMN Cc1ccc(C)c(NCc2cnc3ccccc3c2)n1 ZINC001164200534 1133206654 /nfs/dbraw/zinc/20/66/54/1133206654.db2.gz PVRLSFXMNPEDHH-UHFFFAOYSA-N 0 1 263.344 3.859 20 0 CHADMN Cc1cc2ccccc2c(N2CC[C@H]3CCCO[C@H]3C2)n1 ZINC001165330984 1133240402 /nfs/dbraw/zinc/24/04/02/1133240402.db2.gz CHRAXVONHCAINZ-PBHICJAKSA-N 0 1 282.387 3.549 20 0 CHADMN Cc1nc2c(n1C[C@@H]1CCCC13CCOCC3)CCCC2 ZINC001166221103 1133262084 /nfs/dbraw/zinc/26/20/84/1133262084.db2.gz JPDQNTOTFWGTRY-HNNXBMFYSA-N 0 1 288.435 3.667 20 0 CHADMN CC(C)Oc1ccnc(N(C)CCc2cccs2)c1 ZINC001166679899 1133281266 /nfs/dbraw/zinc/28/12/66/1133281266.db2.gz USDIFEJNQSXRFE-UHFFFAOYSA-N 0 1 276.405 3.609 20 0 CHADMN Cc1cnc(N(C)CCc2ccc(F)cc2)cc1C ZINC001166820986 1133289784 /nfs/dbraw/zinc/28/97/84/1133289784.db2.gz JGWZHVSOGNBVKZ-UHFFFAOYSA-N 0 1 258.340 3.516 20 0 CHADMN CCc1cc(CN(Cc2ccccc2)C(C)C)on1 ZINC001203213459 1133305085 /nfs/dbraw/zinc/30/50/85/1133305085.db2.gz QLOFAYNIJNNLBW-UHFFFAOYSA-N 0 1 258.365 3.648 20 0 CHADMN CO[C@@]1(C)C[C@H]1NCc1ccc(-c2ccccc2Cl)o1 ZINC001203201423 1133305384 /nfs/dbraw/zinc/30/53/84/1133305384.db2.gz WLUHFFFBGIJLAM-CVEARBPZSA-N 0 1 291.778 3.867 20 0 CHADMN CCc1cc(CN(C)[C@H](CC)c2ccccc2)on1 ZINC001203225961 1133306769 /nfs/dbraw/zinc/30/67/69/1133306769.db2.gz APEOHSGDDNGOER-MRXNPFEDSA-N 0 1 258.365 3.820 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@H]2c2cccs2)[nH]1 ZINC001203244123 1133307699 /nfs/dbraw/zinc/30/76/99/1133307699.db2.gz RHEPYOSCHDELIZ-ZDUSSCGKSA-N 0 1 275.421 3.679 20 0 CHADMN CCc1nc(C)c(CN2CCc3ccccc3[C@@H]2CC)[nH]1 ZINC001203247482 1133308926 /nfs/dbraw/zinc/30/89/26/1133308926.db2.gz GIJJLXNSHLVWQY-KRWDZBQOSA-N 0 1 283.419 3.790 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1cc2c(cc[nH]c2=O)o1 ZINC001203282312 1133310067 /nfs/dbraw/zinc/31/00/67/1133310067.db2.gz FIUUMLBXKOZUEA-GFCCVEGCSA-N 0 1 282.343 3.693 20 0 CHADMN COc1ccc(C2=CCN(Cc3ccc(C)o3)CC2)cc1 ZINC001203300813 1133312124 /nfs/dbraw/zinc/31/21/24/1133312124.db2.gz VYPNZXZAODZFLI-UHFFFAOYSA-N 0 1 283.371 3.886 20 0 CHADMN Clc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c(Cl)c1 ZINC001203392529 1133321836 /nfs/dbraw/zinc/32/18/36/1133321836.db2.gz CRFSLELKQWGFGV-JOYOIKCWSA-N 0 1 256.176 3.978 20 0 CHADMN Clc1ccc(CN2C[C@H]3CC[C@@H]2C3)c(Cl)c1 ZINC001203392529 1133321838 /nfs/dbraw/zinc/32/18/38/1133321838.db2.gz CRFSLELKQWGFGV-JOYOIKCWSA-N 0 1 256.176 3.978 20 0 CHADMN C[C@@H]1CCN(Cc2c(Cl)cccc2Cl)CC[C@@H]1O ZINC001203416531 1133323768 /nfs/dbraw/zinc/32/37/68/1133323768.db2.gz OHCZLYYAYHUWIM-YGRLFVJLSA-N 0 1 288.218 3.586 20 0 CHADMN Cn1cc(Nc2nnc(-c3ccco3)o2)c2ccccc21 ZINC001203415964 1133325345 /nfs/dbraw/zinc/32/53/45/1133325345.db2.gz QHDCEASUUNZMIJ-UHFFFAOYSA-N 0 1 280.287 3.565 20 0 CHADMN COc1cccc(CN2CCC(F)(F)C(C)(C)C2)c1OC ZINC001203443002 1133328641 /nfs/dbraw/zinc/32/86/41/1133328641.db2.gz GEXLCAOGGPJFNR-UHFFFAOYSA-N 0 1 299.361 3.571 20 0 CHADMN Cc1ccc(CNCc2cc3ccccc3n2C)c(Cl)n1 ZINC001203497815 1133333875 /nfs/dbraw/zinc/33/38/75/1133333875.db2.gz ZGYYALHQADDTEZ-UHFFFAOYSA-N 0 1 299.805 3.825 20 0 CHADMN Cc1cc(CNc2ccc(C(C)(C)C)c(F)c2)n[nH]1 ZINC001203517080 1133334207 /nfs/dbraw/zinc/33/42/07/1133334207.db2.gz KWMOFCKAWHUIAI-UHFFFAOYSA-N 0 1 261.344 3.767 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cncc(F)c1 ZINC001203520441 1133335031 /nfs/dbraw/zinc/33/50/31/1133335031.db2.gz URUHARLRGKBUID-UHFFFAOYSA-N 0 1 269.279 3.521 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(C2CC2)nn1C ZINC001203519489 1133335306 /nfs/dbraw/zinc/33/53/06/1133335306.db2.gz IIISBQHFWYUWAD-UHFFFAOYSA-N 0 1 294.358 3.598 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1c(C)ccnc1C ZINC001203522997 1133336272 /nfs/dbraw/zinc/33/62/72/1133336272.db2.gz PAKCLAMNLFPBBB-UHFFFAOYSA-N 0 1 279.343 3.999 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(CO)ccc1F ZINC001203525935 1133336936 /nfs/dbraw/zinc/33/69/36/1133336936.db2.gz IZXXAJTVXHVPQF-UHFFFAOYSA-N 0 1 298.317 3.618 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccc(CO)c1C ZINC001203525743 1133337197 /nfs/dbraw/zinc/33/71/97/1133337197.db2.gz DPSJTFRGLFZFTB-UHFFFAOYSA-N 0 1 294.354 3.788 20 0 CHADMN COc1ccc(CNc2ccc3c(n2)CCCC3)c(OC)c1 ZINC001203565692 1133340353 /nfs/dbraw/zinc/34/03/53/1133340353.db2.gz IPGTXUKXNRCTHH-UHFFFAOYSA-N 0 1 298.386 3.590 20 0 CHADMN [O-]c1ccc(C[NH2+]Cc2ccc3cnccc3c2)cc1Cl ZINC001203559549 1133340432 /nfs/dbraw/zinc/34/04/32/1133340432.db2.gz NAPQEFNWVJVEMA-UHFFFAOYSA-N 0 1 298.773 3.884 20 0 CHADMN CC(C)c1nnc(Nc2cccnc2-c2ccccc2)o1 ZINC001203643674 1133347113 /nfs/dbraw/zinc/34/71/13/1133347113.db2.gz NBWHKIHYXFTTET-UHFFFAOYSA-N 0 1 280.331 3.999 20 0 CHADMN Cc1cc(C)c(CN2CCc3occc3C2)c(C)c1 ZINC001203744376 1133363795 /nfs/dbraw/zinc/36/37/95/1133363795.db2.gz CCTGICBDKRXGLG-UHFFFAOYSA-N 0 1 255.361 3.763 20 0 CHADMN COc1ccc(C[N@H+]2CCC23CCCCC3)cc1F ZINC001203790055 1133368110 /nfs/dbraw/zinc/36/81/10/1133368110.db2.gz UCJTWJCJTFMYAM-UHFFFAOYSA-N 0 1 263.356 3.743 20 0 CHADMN Clc1cc(Cl)cc(CN2C[C@H]3CC[C@@H]2C3)c1 ZINC001203811249 1133372312 /nfs/dbraw/zinc/37/23/12/1133372312.db2.gz QDMLQHLMAGGIIC-TVQRCGJNSA-N 0 1 256.176 3.978 20 0 CHADMN COc1cccc(CN2Cc3cccc(C)c3C2)c1 ZINC001203817932 1133374832 /nfs/dbraw/zinc/37/48/32/1133374832.db2.gz PKBWGUMVKCXBPC-UHFFFAOYSA-N 0 1 253.345 3.519 20 0 CHADMN COc1cc(CN2CCc3c(C)cccc3C2)cc(OC)c1 ZINC001203855598 1133375161 /nfs/dbraw/zinc/37/51/61/1133375161.db2.gz XQELRGRKHXAAQL-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN CC(C)c1nc(CNCC[C@@H]2CCC(C)(C)CO2)cs1 ZINC001203865273 1133376781 /nfs/dbraw/zinc/37/67/81/1133376781.db2.gz VHFVYNLYHSIOAL-AWEZNQCLSA-N 0 1 296.480 3.951 20 0 CHADMN COC(CN(Cc1ccccc1)Cc1cccc(C)c1)OC ZINC001203887196 1133379328 /nfs/dbraw/zinc/37/93/28/1133379328.db2.gz AHZDNCAQXHILCJ-UHFFFAOYSA-N 0 1 299.414 3.616 20 0 CHADMN COc1cccc2c1CN(Cc1cccc(C)c1)CC2 ZINC001203888214 1133379429 /nfs/dbraw/zinc/37/94/29/1133379429.db2.gz NYBDMHVATKOPOH-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN FC(F)(F)c1cccc(CN2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001203884576 1133379674 /nfs/dbraw/zinc/37/96/74/1133379674.db2.gz CYYUJCMCQZQGHF-DZGCQCFKSA-N 0 1 299.336 3.706 20 0 CHADMN C[C@]1(CF)CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC001203884927 1133379920 /nfs/dbraw/zinc/37/99/20/1133379920.db2.gz GGTDTRMJEYPHLA-CYBMUJFWSA-N 0 1 275.289 3.887 20 0 CHADMN C[C@H]1CN(Cc2ccc(Br)cc2)C2(CC2)C1 ZINC001203911192 1133382636 /nfs/dbraw/zinc/38/26/36/1133382636.db2.gz GCQYSKSQUTZNJC-LLVKDONJSA-N 0 1 280.209 3.824 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Br)cc2)C2(CC2)C1 ZINC001203911195 1133382979 /nfs/dbraw/zinc/38/29/79/1133382979.db2.gz GCQYSKSQUTZNJC-NSHDSACASA-N 0 1 280.209 3.824 20 0 CHADMN c1ccc(Oc2ccc(CN3CC[C@@]34CCOC4)cc2)cc1 ZINC001203945007 1133388324 /nfs/dbraw/zinc/38/83/24/1133388324.db2.gz WVGUCVUMDVSGKE-IBGZPJMESA-N 0 1 295.382 3.844 20 0 CHADMN F[C@@H]1CN(Cc2ccc3ccccc3c2)C[C@@H]2C[C@@H]21 ZINC001203998342 1133396742 /nfs/dbraw/zinc/39/67/42/1133396742.db2.gz IOLBZVVEARJUTE-YESZJQIVSA-N 0 1 255.336 3.630 20 0 CHADMN c1ccc2cc(CN3CCC[C@@H]3c3cnccn3)ccc2c1 ZINC001204000652 1133397289 /nfs/dbraw/zinc/39/72/89/1133397289.db2.gz LLZREADJQVWDOD-LJQANCHMSA-N 0 1 289.382 3.967 20 0 CHADMN CC(C)[C@@H]1CN(Cc2ccc3ccccc3c2)CCO1 ZINC001204000266 1133397720 /nfs/dbraw/zinc/39/77/20/1133397720.db2.gz ZWZOKKYWUYQNKC-SFHVURJKSA-N 0 1 269.388 3.697 20 0 CHADMN CCCC1CCC(CNC2(c3nc(C)no3)CC2)CC1 ZINC001204037188 1133400791 /nfs/dbraw/zinc/40/07/91/1133400791.db2.gz FJOPEYUWZCHSKL-UHFFFAOYSA-N 0 1 277.412 3.563 20 0 CHADMN Cc1ccc(CN2CC[C@H](OC(=O)OC(C)(C)C)C2)s1 ZINC001204029715 1133401375 /nfs/dbraw/zinc/40/13/75/1133401375.db2.gz CNMZMZCQDQGJRS-LBPRGKRZSA-N 0 1 297.420 3.583 20 0 CHADMN C[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccccc21 ZINC001204050920 1133403333 /nfs/dbraw/zinc/40/33/33/1133403333.db2.gz AYKQOIBVKNCCRI-CYBMUJFWSA-N 0 1 281.355 3.535 20 0 CHADMN C[C@H]1CCN(Cc2cccc(Cl)c2Cl)CC[C@H]1O ZINC001204181481 1133416227 /nfs/dbraw/zinc/41/62/27/1133416227.db2.gz PHDHKTDHCYDAPJ-GXFFZTMASA-N 0 1 288.218 3.586 20 0 CHADMN Fc1cccc(F)c1CN1CC[C@H]2CCC[C@H]2C1 ZINC001204199921 1133417582 /nfs/dbraw/zinc/41/75/82/1133417582.db2.gz DXBGYIROTVEIPE-NEPJUHHUSA-N 0 1 251.320 3.587 20 0 CHADMN CCOc1cc(CN2CCC[C@@H](C(F)F)C2)ccc1OC ZINC001204191461 1133417689 /nfs/dbraw/zinc/41/76/89/1133417689.db2.gz UGLUQSPSRKTEKU-CYBMUJFWSA-N 0 1 299.361 3.571 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(F)c2F)CCC1(F)F ZINC001204193143 1133417867 /nfs/dbraw/zinc/41/78/67/1133417867.db2.gz FZMMPDOMASOISF-SNVBAGLBSA-N 0 1 275.289 3.832 20 0 CHADMN CCN(Cc1ccccc1)Cc1ccc(F)cc1F ZINC001204207406 1133419859 /nfs/dbraw/zinc/41/98/59/1133419859.db2.gz LSTXVBAGUMFPNZ-UHFFFAOYSA-N 0 1 261.315 3.987 20 0 CHADMN Cc1ccc(CCN(C)Cc2cc(F)ccc2F)cc1 ZINC001204219574 1133420513 /nfs/dbraw/zinc/42/05/13/1133420513.db2.gz DSXZBHWBDQOJPE-UHFFFAOYSA-N 0 1 275.342 3.948 20 0 CHADMN CC(C)N(Cc1nc(Br)cs1)C1CCC1 ZINC001204235755 1133422349 /nfs/dbraw/zinc/42/23/49/1133422349.db2.gz CUUVSBUVYMDCPM-UHFFFAOYSA-N 0 1 289.242 3.669 20 0 CHADMN Fc1cc(F)cc(CN2CCCc3ccccc3C2)c1 ZINC001204234653 1133422856 /nfs/dbraw/zinc/42/28/56/1133422856.db2.gz URBJAZIUZPDVOD-UHFFFAOYSA-N 0 1 273.326 3.913 20 0 CHADMN COc1cccc(OC)c1CN1CC[C@H](C)C(F)(F)CC1 ZINC001204249234 1133423906 /nfs/dbraw/zinc/42/39/06/1133423906.db2.gz LHTAGDFAKWJLEO-LBPRGKRZSA-N 0 1 299.361 3.571 20 0 CHADMN Cc1ccccc1OC1CCN(Cc2ccoc2)CC1 ZINC001204240759 1133424326 /nfs/dbraw/zinc/42/43/26/1133424326.db2.gz HIBKTRQNJCKINL-UHFFFAOYSA-N 0 1 271.360 3.631 20 0 CHADMN CCCCCCOc1ccccc1CN1CCC(O)CC1 ZINC001204298255 1133430909 /nfs/dbraw/zinc/43/09/09/1133430909.db2.gz PAYVPXLITSHZIR-UHFFFAOYSA-N 0 1 291.435 3.602 20 0 CHADMN CCCOc1ccc(CN(C)C2CC(F)(F)C2)cc1 ZINC001204305387 1133433998 /nfs/dbraw/zinc/43/39/98/1133433998.db2.gz ISQBZFBNZNUWPP-UHFFFAOYSA-N 0 1 269.335 3.705 20 0 CHADMN Cc1ccc(CN2CCc3c(O)cccc3C2)cc1C ZINC001204354170 1133439718 /nfs/dbraw/zinc/43/97/18/1133439718.db2.gz UINNKQRDBWBVON-UHFFFAOYSA-N 0 1 267.372 3.567 20 0 CHADMN C[C@@H]1CCCN(Cc2ccccc2OC(F)(F)F)C1 ZINC001204423613 1133445864 /nfs/dbraw/zinc/44/58/64/1133445864.db2.gz KQTTZSJFCPPEHW-LLVKDONJSA-N 0 1 273.298 3.817 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3c(F)cccc3C(F)(F)F)C[C@@H]21 ZINC001204466810 1133451477 /nfs/dbraw/zinc/45/14/77/1133451477.db2.gz SYIWBGTYTSCGEB-TXEJJXNPSA-N 0 1 287.300 3.932 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1ccc3cc(OC)ccc3c1)C2 ZINC001204517150 1133456237 /nfs/dbraw/zinc/45/62/37/1133456237.db2.gz JIUZEUHXCJOKKF-HKUYNNGSSA-N 0 1 297.398 3.602 20 0 CHADMN COc1ccc2cc(CN3C[C@@H]4C[C@@H]4[C@@H](F)C3)ccc2c1 ZINC001204516667 1133456337 /nfs/dbraw/zinc/45/63/37/1133456337.db2.gz MLFVNEDRPOSICD-SZMVWBNQSA-N 0 1 285.362 3.638 20 0 CHADMN c1ccc2c(c1)CN(Cc1cccc(C3CC3)c1)CCO2 ZINC001204516599 1133456681 /nfs/dbraw/zinc/45/66/81/1133456681.db2.gz WBHPDZDPKXLRBW-UHFFFAOYSA-N 0 1 279.383 3.959 20 0 CHADMN Cc1cc(CN2CCc3ccc(C)cc3C2)oc1C ZINC001204531943 1133459231 /nfs/dbraw/zinc/45/92/31/1133459231.db2.gz OKKGBMHYYQTJNV-UHFFFAOYSA-N 0 1 255.361 3.763 20 0 CHADMN Cc1cc(CN2CCC[C@H](C(F)(F)F)C2)oc1C ZINC001204532826 1133459523 /nfs/dbraw/zinc/45/95/23/1133459523.db2.gz GOZLVUCINHCJMB-NSHDSACASA-N 0 1 261.287 3.671 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccccn2)oc1C ZINC001204534565 1133460184 /nfs/dbraw/zinc/46/01/84/1133460184.db2.gz IVJPILWHKXCNJH-INIZCTEOSA-N 0 1 256.349 3.629 20 0 CHADMN c1csc(CN2CCC[C@@H](CCc3ccccc3)C2)n1 ZINC001204548710 1133461068 /nfs/dbraw/zinc/46/10/68/1133461068.db2.gz ATRKOZISECRGBJ-INIZCTEOSA-N 0 1 286.444 3.988 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)cnc1F ZINC001204585751 1133463935 /nfs/dbraw/zinc/46/39/35/1133463935.db2.gz YGUOSOOTARABAK-INIZCTEOSA-N 0 1 284.378 3.594 20 0 CHADMN Cc1ccc2cc(C[N@H+]3CC(C)(C)OCC3(C)C)[nH]c2c1 ZINC001204647675 1133471209 /nfs/dbraw/zinc/47/12/09/1133471209.db2.gz IHSPLTHOASNPBM-UHFFFAOYSA-N 0 1 286.419 3.866 20 0 CHADMN Cc1ccc2cc(CN3CC(C)(C)OCC3(C)C)[nH]c2c1 ZINC001204647675 1133471214 /nfs/dbraw/zinc/47/12/14/1133471214.db2.gz IHSPLTHOASNPBM-UHFFFAOYSA-N 0 1 286.419 3.866 20 0 CHADMN CN[C@H](c1nc(-c2ccc(C)cc2C)no1)C(C)(C)C ZINC001204888702 1133496036 /nfs/dbraw/zinc/49/60/36/1133496036.db2.gz LSGIEJACLSDFPD-CYBMUJFWSA-N 0 1 273.380 3.660 20 0 CHADMN COc1ccc(CN(C)Cc2cccc(C)c2)c(F)c1 ZINC001204900449 1133497122 /nfs/dbraw/zinc/49/71/22/1133497122.db2.gz WEVZIGKBGIUTLD-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN CC[C@H]1CN(Cc2cc3c(cccc3O)s2)C[C@@H](C)O1 ZINC001204900222 1133497144 /nfs/dbraw/zinc/49/71/44/1133497144.db2.gz YQZSVTHUKXXXPJ-NEPJUHHUSA-N 0 1 291.416 3.606 20 0 CHADMN COc1cc(F)cc(OC)c1CN1C[C@@H](C)CC(C)(C)C1 ZINC001204961131 1133508249 /nfs/dbraw/zinc/50/82/49/1133508249.db2.gz NCZLAGCRETYGSY-LBPRGKRZSA-N 0 1 295.398 3.711 20 0 CHADMN CC1CCN(Cc2ccsc2C(F)(F)F)CC1 ZINC001205101127 1133529599 /nfs/dbraw/zinc/52/95/99/1133529599.db2.gz ODEIUAXSHRIHET-UHFFFAOYSA-N 0 1 263.328 3.999 20 0 CHADMN CCC[N@@H+](Cc1ccc(C)cc1)Cc1ccncc1F ZINC001205122964 1133533010 /nfs/dbraw/zinc/53/30/10/1133533010.db2.gz HSTRSIWEHVBRKV-UHFFFAOYSA-N 0 1 272.367 3.941 20 0 CHADMN CCCN(Cc1ccc(C)cc1)Cc1ccncc1F ZINC001205122964 1133533014 /nfs/dbraw/zinc/53/30/14/1133533014.db2.gz HSTRSIWEHVBRKV-UHFFFAOYSA-N 0 1 272.367 3.941 20 0 CHADMN Cc1cc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)ccc1F ZINC001205172426 1133540298 /nfs/dbraw/zinc/54/02/98/1133540298.db2.gz QHKQOSOMWRSXBO-BETUJISGSA-N 0 1 269.310 3.611 20 0 CHADMN CCN(Cc1cccnc1)Cc1ccc(F)c(C)c1 ZINC001205186904 1133543047 /nfs/dbraw/zinc/54/30/47/1133543047.db2.gz FRJQQKAXGLNHRL-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN Cc1ccc(CN(Cc2ccco2)C2CC2)cc1F ZINC001205244214 1133550203 /nfs/dbraw/zinc/55/02/03/1133550203.db2.gz XDTICVFSKCSDBS-UHFFFAOYSA-N 0 1 259.324 3.892 20 0 CHADMN CN(CCc1ccc(F)cc1)Cc1cc(C(C)(C)C)n[nH]1 ZINC001205540285 1133585512 /nfs/dbraw/zinc/58/55/12/1133585512.db2.gz FNVNTTLKLJXHRO-UHFFFAOYSA-N 0 1 289.398 3.521 20 0 CHADMN Fc1cccc2c1CCN(Cc1ccc3[nH]ccc3c1)C2 ZINC001205606561 1133594381 /nfs/dbraw/zinc/59/43/81/1133594381.db2.gz YDGLSAFSNYJMGD-UHFFFAOYSA-N 0 1 280.346 3.865 20 0 CHADMN C[N@H+]1CC[C@@H](c2ccc(-c3ccsc3C(=O)[O-])cc2)C1 ZINC001205614401 1133595581 /nfs/dbraw/zinc/59/55/81/1133595581.db2.gz OAVBAWLMCWFMCW-CYBMUJFWSA-N 0 1 287.384 3.532 20 0 CHADMN Cc1ccc(F)c(CN2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001205624243 1133596196 /nfs/dbraw/zinc/59/61/96/1133596196.db2.gz SVBHDVNSIBCCHZ-BETUJISGSA-N 0 1 269.310 3.611 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@@H](C)CC1)c1nc(C(C)(C)C)no1 ZINC001205651032 1133598317 /nfs/dbraw/zinc/59/83/17/1133598317.db2.gz ZAUNVRDTFAFCBJ-JHJVBQTASA-N 0 1 279.428 3.987 20 0 CHADMN CC(C)Oc1c(F)c(F)ccc1-c1nccc2[nH]cnc21 ZINC001205829575 1133620046 /nfs/dbraw/zinc/62/00/46/1133620046.db2.gz JSQYGCMECXHKIX-UHFFFAOYSA-N 0 1 289.285 3.690 20 0 CHADMN CSc1ccc(F)cc1-c1cccc2cncn21 ZINC001205982400 1133638133 /nfs/dbraw/zinc/63/81/33/1133638133.db2.gz DBKCEUMFDIYDJE-UHFFFAOYSA-N 0 1 258.321 3.862 20 0 CHADMN CNC(C)(C)c1nc(-c2cc(C)cc(C(F)(F)F)c2)no1 ZINC001206010621 1133641063 /nfs/dbraw/zinc/64/10/63/1133641063.db2.gz PHIGRRGRZHLLAO-UHFFFAOYSA-N 0 1 299.296 3.518 20 0 CHADMN CCCOc1ccc(-c2ccc3cncn3c2)c(F)c1 ZINC001206136903 1133662681 /nfs/dbraw/zinc/66/26/81/1133662681.db2.gz QXSIEXCYLAARFI-UHFFFAOYSA-N 0 1 270.307 3.929 20 0 CHADMN COC(=O)c1cc2ccc(C=Cc3ccc(C)cc3)nc2[nH]1 ZINC001206147990 1133663753 /nfs/dbraw/zinc/66/37/53/1133663753.db2.gz IEDNITKNSZACNL-VQHVLOKHSA-N 0 1 292.338 3.828 20 0 CHADMN Cn1ccc(CN2CCC(CCCc3ccccc3)CC2)n1 ZINC001206256790 1133677850 /nfs/dbraw/zinc/67/78/50/1133677850.db2.gz AUHCJRQPIFKQOE-UHFFFAOYSA-N 0 1 297.446 3.655 20 0 CHADMN Cc1noc([C@H](C)N(C)CC2CCC(C(C)C)CC2)n1 ZINC001206463214 1133705948 /nfs/dbraw/zinc/70/59/48/1133705948.db2.gz BURKVFSSNFWNPS-GRTSSRMGSA-N 0 1 279.428 3.833 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1ccncc1OC ZINC001206480500 1133708040 /nfs/dbraw/zinc/70/80/40/1133708040.db2.gz ZRDUJGTYNJJKMN-INIZCTEOSA-N 0 1 270.376 3.673 20 0 CHADMN CC[C@@H](CN1CCO[C@](C)(C(F)F)C1)c1ccccc1 ZINC001206727709 1133736644 /nfs/dbraw/zinc/73/66/44/1133736644.db2.gz KVCSQWSGCDSWET-BBRMVZONSA-N 0 1 283.362 3.536 20 0 CHADMN Cc1cc2c(ncnc2-c2cc(F)c(O)cc2F)s1 ZINC001206748336 1133740237 /nfs/dbraw/zinc/74/02/37/1133740237.db2.gz HAFWXDJFTFDHMN-UHFFFAOYSA-N 0 1 278.283 3.651 20 0 CHADMN Oc1cc(F)c(-c2ncccc2OC(F)(F)F)cc1F ZINC001206755356 1133741992 /nfs/dbraw/zinc/74/19/92/1133741992.db2.gz JRQVAECBGXWCEK-UHFFFAOYSA-N 0 1 291.175 3.631 20 0 CHADMN Oc1cc(F)c(-c2cncc(-c3ccccc3)n2)cc1F ZINC001206762045 1133743028 /nfs/dbraw/zinc/74/30/28/1133743028.db2.gz UYNVJCHDFMZYAC-UHFFFAOYSA-N 0 1 284.265 3.794 20 0 CHADMN COc1cc(C)ccc1CN1CC[C@H]1c1ccccc1 ZINC001206769197 1133745526 /nfs/dbraw/zinc/74/55/26/1133745526.db2.gz FNDQGGNVAINJAA-KRWDZBQOSA-N 0 1 267.372 3.951 20 0 CHADMN Cc1ccc(-c2ccc(-c3cc(F)c(O)cc3F)nn2)o1 ZINC001206775974 1133746676 /nfs/dbraw/zinc/74/66/76/1133746676.db2.gz TWNBCFWPJCRXRN-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Oc1cc(F)c(-c2cc(F)c(F)cc2F)cc1F ZINC001206775912 1133746905 /nfs/dbraw/zinc/74/69/05/1133746905.db2.gz QMCJOZNXNKRSEH-UHFFFAOYSA-N 0 1 260.161 3.755 20 0 CHADMN Oc1cc(F)c(-c2cccc(COCC3CC3)n2)cc1F ZINC001206775868 1133747122 /nfs/dbraw/zinc/74/71/22/1133747122.db2.gz OVMCXXIRIRMUJN-UHFFFAOYSA-N 0 1 291.297 3.659 20 0 CHADMN CCn1ccc(CN2CCC[C@H](C3CCCCC3)C2)n1 ZINC001206787205 1133748639 /nfs/dbraw/zinc/74/86/39/1133748639.db2.gz CUGQFKKIVCNWHI-INIZCTEOSA-N 0 1 275.440 3.695 20 0 CHADMN CCCCN(C)Cc1cc(-c2ccc(OC)cc2)on1 ZINC001206822750 1133752349 /nfs/dbraw/zinc/75/23/49/1133752349.db2.gz CZNXGIIRKLFPSK-UHFFFAOYSA-N 0 1 274.364 3.582 20 0 CHADMN COc1ccc(-c2cc(CN(C)CC3CCC3)no2)cc1 ZINC001206827638 1133752518 /nfs/dbraw/zinc/75/25/18/1133752518.db2.gz OUWHLQRYYPATHS-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN C[C@H]1CCCCN1Cc1cc(-c2ccc(F)cc2)on1 ZINC001206832400 1133753819 /nfs/dbraw/zinc/75/38/19/1133753819.db2.gz APHXXXYDLBKFPH-LBPRGKRZSA-N 0 1 274.339 3.855 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cc(C)ccn1 ZINC001206852926 1133755578 /nfs/dbraw/zinc/75/55/78/1133755578.db2.gz JLHQMDVNEXQTTL-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN Cc1ccnc(CN2CCC[C@H]2c2ccccc2F)c1 ZINC001206853771 1133756529 /nfs/dbraw/zinc/75/65/29/1133756529.db2.gz AWYNCDLTBCEHNY-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@H]1Cc2cc(CN3CCC[C@@H](C(F)(F)F)C3)ccc2O1 ZINC001206990994 1133758500 /nfs/dbraw/zinc/75/85/00/1133758500.db2.gz JZOSCBAFNLZQEM-SMDDNHRTSA-N 0 1 299.336 3.784 20 0 CHADMN Cc1ncsc1CN1CCC[C@H]1c1ccccc1F ZINC001206990407 1133759003 /nfs/dbraw/zinc/75/90/03/1133759003.db2.gz SBQUURTYJQTWMI-AWEZNQCLSA-N 0 1 276.380 3.928 20 0 CHADMN c1nc(CN2CCC[C@@H](c3ccccc3)C2)n2ccccc12 ZINC001207050485 1133763672 /nfs/dbraw/zinc/76/36/72/1133763672.db2.gz ALDBSVWOIGOCIW-QGZVFWFLSA-N 0 1 291.398 3.714 20 0 CHADMN Cc1cnc(CN(Cc2cccc(C)c2C)C2CC2)cn1 ZINC001207080358 1133765787 /nfs/dbraw/zinc/76/57/87/1133765787.db2.gz KPLBQSJCBMSQMO-UHFFFAOYSA-N 0 1 281.403 3.566 20 0 CHADMN CCCN(CC)Cc1c(F)cccc1OC(F)F ZINC001207109265 1133767408 /nfs/dbraw/zinc/76/74/08/1133767408.db2.gz WUBIYSRTNWHSPG-UHFFFAOYSA-N 0 1 261.287 3.659 20 0 CHADMN Fc1cnc(CN2CCC[C@@H](c3ccccc3)C2)c(F)c1 ZINC001207098643 1133768105 /nfs/dbraw/zinc/76/81/05/1133768105.db2.gz ZNQJBMGXFVVGSP-CQSZACIVSA-N 0 1 288.341 3.739 20 0 CHADMN Fc1cccc(OC(F)F)c1CN1C[C@H]2CCC[C@@H]2C1 ZINC001207111751 1133768607 /nfs/dbraw/zinc/76/86/07/1133768607.db2.gz PKSVLEREWJUVGI-GHMZBOCLSA-N 0 1 285.309 3.659 20 0 CHADMN FC(F)c1cccc(CN2CC[C@@H]3CCCO[C@H]3C2)c1 ZINC001207125111 1133769401 /nfs/dbraw/zinc/76/94/01/1133769401.db2.gz IGRJFUMSKHEZKH-ZFWWWQNUSA-N 0 1 281.346 3.625 20 0 CHADMN CCCO[C@@H]1CCN(Cc2cccc(C(F)F)c2)C1 ZINC001207130933 1133770760 /nfs/dbraw/zinc/77/07/60/1133770760.db2.gz LGXDLGQKFHHRFT-CQSZACIVSA-N 0 1 269.335 3.625 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(C(F)F)c2)cn1 ZINC001207131842 1133770809 /nfs/dbraw/zinc/77/08/09/1133770809.db2.gz LFCBICVSXMVOND-UHFFFAOYSA-N 0 1 276.330 3.960 20 0 CHADMN CN(Cc1cccc(C(F)F)c1)C1CC(F)(F)C1 ZINC001207125790 1133770878 /nfs/dbraw/zinc/77/08/78/1133770878.db2.gz LYZOUKJQSKNXRP-UHFFFAOYSA-N 0 1 261.262 3.854 20 0 CHADMN COc1cc2ccccc2cc1CN1CC(C)(C)C1 ZINC001207150023 1133771804 /nfs/dbraw/zinc/77/18/04/1133771804.db2.gz ADHUYHKHZXLGOG-UHFFFAOYSA-N 0 1 255.361 3.690 20 0 CHADMN Clc1ccc([C@@H]2C[C@H]2CN2CCOCC23CCC3)cc1 ZINC001207193203 1133779145 /nfs/dbraw/zinc/77/91/45/1133779145.db2.gz SDUMENGRMLEKIM-HOCLYGCPSA-N 0 1 291.822 3.698 20 0 CHADMN Cc1c(Cl)ccc(CNC2CSC2)c1Cl ZINC001207638300 1133835842 /nfs/dbraw/zinc/83/58/42/1133835842.db2.gz CZPFWLACMDQSNP-UHFFFAOYSA-N 0 1 262.205 3.507 20 0 CHADMN CC(C)c1ccc(CCN2CCCCC23COC3)cc1 ZINC001207520683 1133813607 /nfs/dbraw/zinc/81/36/07/1133813607.db2.gz IDGXVLNVOIYXOK-UHFFFAOYSA-N 0 1 273.420 3.607 20 0 CHADMN F[C@@H]1COc2ccccc2[C@@H]1NC[C@H]1C[C@@H]1c1ccccc1 ZINC001207534940 1133817355 /nfs/dbraw/zinc/81/73/55/1133817355.db2.gz BTHYRCFOGWHKHB-MYZZLAAOSA-N 0 1 297.373 3.852 20 0 CHADMN Cc1cc(CN2CCC(Oc3ccccc3)CC2)cc(C)n1 ZINC001207568913 1133820794 /nfs/dbraw/zinc/82/07/94/1133820794.db2.gz COBKXXJNZQMUJB-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN C[C@]1(F)CCN(CCCc2cccc(F)c2)C[C@@H]1F ZINC001207599750 1133826329 /nfs/dbraw/zinc/82/63/29/1133826329.db2.gz VWJXTTDZOISNSW-GJZGRUSLSA-N 0 1 271.326 3.530 20 0 CHADMN Cc1cc(CN2CCO[C@H](c3ccccc3)CC2)cc(C)n1 ZINC001207806243 1133848504 /nfs/dbraw/zinc/84/85/04/1133848504.db2.gz RTERVJSWTYMYRN-IBGZPJMESA-N 0 1 296.414 3.662 20 0 CHADMN C[C@@H](CN1CC(Oc2ccccc2)C1)c1ccccc1 ZINC001207910572 1133861810 /nfs/dbraw/zinc/86/18/10/1133861810.db2.gz UXEQRJUJDWHOCV-HNNXBMFYSA-N 0 1 267.372 3.553 20 0 CHADMN Fc1cccc(F)c1[C@@H]1CCCN1C[C@@H]1CCCCO1 ZINC001207962795 1133871137 /nfs/dbraw/zinc/87/11/37/1133871137.db2.gz XQRZPCQHTNLWPX-WFASDCNBSA-N 0 1 281.346 3.671 20 0 CHADMN CC[C@H]1CO[C@@](C)(CCC(C)C)N1CCCn1cccn1 ZINC001208079877 1133874547 /nfs/dbraw/zinc/87/45/47/1133874547.db2.gz XYZBUEYXRXROBU-IRXDYDNUSA-N 0 1 293.455 3.536 20 0 CHADMN CS[C@@H](C)CCN(C)Cc1ccc(F)cc1F ZINC001208155676 1133889212 /nfs/dbraw/zinc/88/92/12/1133889212.db2.gz SJSMSQKHIATSJX-JTQLQIEISA-N 0 1 259.365 3.538 20 0 CHADMN CC/C=C\CCCCCN1CCc2onc(COC)c2C1 ZINC001208190858 1133901840 /nfs/dbraw/zinc/90/18/40/1133901840.db2.gz QHWDGZIQKWVIGH-PLNGDYQASA-N 0 1 292.423 3.706 20 0 CHADMN O=C(Nc1ccsc1)c1cnc2[nH]ccc(Cl)c1-2 ZINC000089572311 1133915674 /nfs/dbraw/zinc/91/56/74/1133915674.db2.gz IVPGPVFAKRGISV-UHFFFAOYSA-N 0 1 277.736 3.530 20 0 CHADMN CCOC1CN(C[C@H](C)c2cccc3ccccc32)C1 ZINC001208703807 1133933078 /nfs/dbraw/zinc/93/30/78/1133933078.db2.gz GMCBDDUUTSPNIB-AWEZNQCLSA-N 0 1 269.388 3.664 20 0 CHADMN CN1CC=C(Nc2nc3cccc(Cl)c3s2)CC1 ZINC001208717291 1133935723 /nfs/dbraw/zinc/93/57/23/1133935723.db2.gz BUPBLEVRXYVPDA-UHFFFAOYSA-N 0 1 279.796 3.581 20 0 CHADMN CC/C=C\CCN1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001208729629 1133936412 /nfs/dbraw/zinc/93/64/12/1133936412.db2.gz FWWPIACDEWVGAE-CHYADLBTSA-N 0 1 277.383 3.729 20 0 CHADMN CC/C=C\CCN1CCc2ccc(C(C)=O)cc2C1 ZINC001208730465 1133937701 /nfs/dbraw/zinc/93/77/01/1133937701.db2.gz VPFREERHTCINGZ-PLNGDYQASA-N 0 1 257.377 3.604 20 0 CHADMN Fc1ccc(CCCN2CCCC(F)(F)[C@@H](F)C2)cc1 ZINC001208767818 1133940304 /nfs/dbraw/zinc/94/03/04/1133940304.db2.gz LZWNINYITSWUEL-AWEZNQCLSA-N 0 1 289.316 3.828 20 0 CHADMN C[C@H]1CC(=O)CCN1CC1(c2ccccc2)CCCC1 ZINC001208771715 1133943250 /nfs/dbraw/zinc/94/32/50/1133943250.db2.gz HJJVWPVKQWWJQD-HNNXBMFYSA-N 0 1 271.404 3.552 20 0 CHADMN Fc1ccc(CCN2CC3(C2)CCCC3)c(Cl)c1 ZINC001209110206 1133975939 /nfs/dbraw/zinc/97/59/39/1133975939.db2.gz PMOYOXKCHPEYFK-UHFFFAOYSA-N 0 1 267.775 3.898 20 0 CHADMN Fc1ccc(CC[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)c(Cl)c1 ZINC001209110304 1133976421 /nfs/dbraw/zinc/97/64/21/1133976421.db2.gz RZYJYFVOAVBORD-PWSUYJOCSA-N 0 1 289.728 3.609 20 0 CHADMN C[C@@H]1CN(CCc2cccc(C(F)(F)F)c2)CCCC1=O ZINC001209122568 1133978536 /nfs/dbraw/zinc/97/85/36/1133978536.db2.gz RGTOKLBGAIURTH-GFCCVEGCSA-N 0 1 299.336 3.549 20 0 CHADMN Fc1cc(F)c(CCN2CC3(C2)CCCCC3)cc1F ZINC001209253251 1133995946 /nfs/dbraw/zinc/99/59/46/1133995946.db2.gz QHNTZLGXWOLPMZ-UHFFFAOYSA-N 0 1 283.337 3.913 20 0 CHADMN C[C@@]1(F)CC[N@@H+](CCCCOCc2ccccc2)C[C@@H]1F ZINC001209253449 1133996413 /nfs/dbraw/zinc/99/64/13/1133996413.db2.gz KNDNRIRNNNHWPZ-DLBZAZTESA-N 0 1 297.389 3.755 20 0 CHADMN C[C@@]1(F)CCN(CCCCOCc2ccccc2)C[C@@H]1F ZINC001209253449 1133996418 /nfs/dbraw/zinc/99/64/18/1133996418.db2.gz KNDNRIRNNNHWPZ-DLBZAZTESA-N 0 1 297.389 3.755 20 0 CHADMN C[C@@H]1c2cccn2CCN1CCCCOCc1ccccc1 ZINC001209265097 1133998533 /nfs/dbraw/zinc/99/85/33/1133998533.db2.gz MDQILKFYAAGTLY-QGZVFWFLSA-N 0 1 298.430 3.862 20 0 CHADMN FC(F)(F)c1ccccc1CCN1CCC(F)(F)CC1 ZINC001209280559 1133999274 /nfs/dbraw/zinc/99/92/74/1133999274.db2.gz SHQSGOWSBGTVCN-UHFFFAOYSA-N 0 1 293.279 3.979 20 0 CHADMN C[C@H]1C[C@@H](CF)N(CCc2ccccc2C(F)(F)F)C1 ZINC001209277199 1134000023 /nfs/dbraw/zinc/00/00/23/1134000023.db2.gz HZYOZJKCZSDLTR-AAEUAGOBSA-N 0 1 289.316 3.928 20 0 CHADMN CC/C=C\CCCCCCN1CCC(=O)C[C@@H]1C ZINC001209285278 1134001251 /nfs/dbraw/zinc/00/12/51/1134001251.db2.gz IKBNTMGWTRGVCV-XVWMLYKFSA-N 0 1 251.414 3.957 20 0 CHADMN Cc1ccc2[nH]cc(CN3CC[C@](C)(F)[C@@H](F)C3)c2c1 ZINC001209490852 1134028925 /nfs/dbraw/zinc/02/89/25/1134028925.db2.gz KDVAADKJIPRDGY-HOTGVXAUSA-N 0 1 278.346 3.748 20 0 CHADMN C[C@H]1CN(Cc2cc3c(cn2)OCCC3)Cc2ccccc21 ZINC001209500370 1134030348 /nfs/dbraw/zinc/03/03/48/1134030348.db2.gz UGFFYKHSVBRYOC-AWEZNQCLSA-N 0 1 294.398 3.526 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1cc2c(cn1)OCCC2 ZINC001209499735 1134030854 /nfs/dbraw/zinc/03/08/54/1134030854.db2.gz LAGJLVIDKPEWOL-AWEZNQCLSA-N 0 1 294.398 3.526 20 0 CHADMN CCN(Cc1c2ccccc2nn1C)Cc1ccc(F)cc1 ZINC001209539169 1134037258 /nfs/dbraw/zinc/03/72/58/1134037258.db2.gz HSPQPXLGIAATBL-UHFFFAOYSA-N 0 1 297.377 3.735 20 0 CHADMN Cc1cc(Cl)ncc1CN1CCCC2(CCC2)C1 ZINC001209637951 1134045112 /nfs/dbraw/zinc/04/51/12/1134045112.db2.gz OYCXMAAMTGLPOW-UHFFFAOYSA-N 0 1 264.800 3.810 20 0 CHADMN Cc1[nH]c2ncccc2c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001209591232 1134038873 /nfs/dbraw/zinc/03/88/73/1134038873.db2.gz QRAYGNCKRYYYDY-CJNGLKHVSA-N 0 1 269.392 3.636 20 0 CHADMN CCCCN(C)Cc1cc(OC)c(Cl)cc1F ZINC001209661091 1134046001 /nfs/dbraw/zinc/04/60/01/1134046001.db2.gz OQFHDWPFMMZUKQ-UHFFFAOYSA-N 0 1 259.752 3.720 20 0 CHADMN COc1cc(CN2CCCC2(C)C)c(F)cc1Cl ZINC001209662159 1134049555 /nfs/dbraw/zinc/04/95/55/1134049555.db2.gz LHFDMUHPORDSKY-UHFFFAOYSA-N 0 1 271.763 3.862 20 0 CHADMN C[C@H]1CCC[N@H+](Cc2n[nH]c3ccc(Cl)cc32)CC1 ZINC001209754138 1134058060 /nfs/dbraw/zinc/05/80/60/1134058060.db2.gz WWVFHCOYDSXEAU-NSHDSACASA-N 0 1 277.799 3.838 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)CC1 ZINC001209754138 1134058068 /nfs/dbraw/zinc/05/80/68/1134058068.db2.gz WWVFHCOYDSXEAU-NSHDSACASA-N 0 1 277.799 3.838 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1ccccc1N(C)C ZINC001209778482 1134062425 /nfs/dbraw/zinc/06/24/25/1134062425.db2.gz DHJINSDCPVSYOD-OAHLLOKOSA-N 0 1 298.430 3.954 20 0 CHADMN CCN(Cc1cc2cc(OC)ccc2o1)Cc1cccnc1 ZINC001209771612 1134064031 /nfs/dbraw/zinc/06/40/31/1134064031.db2.gz VIGUBCSXDITPJU-UHFFFAOYSA-N 0 1 296.370 3.859 20 0 CHADMN Fc1ccc(-c2cc(Nc3ncccc3F)on2)cc1F ZINC001209803595 1134068073 /nfs/dbraw/zinc/06/80/73/1134068073.db2.gz CMBZMWWZEIDUFD-UHFFFAOYSA-N 0 1 291.232 3.898 20 0 CHADMN c1cc(Nc2ccc3nc[nH]c3c2)n(Cc2ccccc2)n1 ZINC001209843485 1134077911 /nfs/dbraw/zinc/07/79/11/1134077911.db2.gz YFLXXDFHCGFCEG-UHFFFAOYSA-N 0 1 289.342 3.551 20 0 CHADMN CCOC(=O)c1ccc(Nc2ccc3nc[nH]c3c2)c(F)c1 ZINC001209848164 1134081970 /nfs/dbraw/zinc/08/19/70/1134081970.db2.gz JDGAKMAMZGCTQM-UHFFFAOYSA-N 0 1 299.305 3.622 20 0 CHADMN CCOc1ccc(F)cc1Nc1ccc2nc[nH]c2c1 ZINC001209847796 1134082627 /nfs/dbraw/zinc/08/26/27/1134082627.db2.gz VPJDFCOAWCMBIG-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN COc1ccc2cccnc2c1Nc1ccc2nc[nH]c2c1 ZINC001209849840 1134083425 /nfs/dbraw/zinc/08/34/25/1134083425.db2.gz DWUQJIVVWQRKLR-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN Cc1c(F)cc(Nc2ccc3nc[nH]c3c2)cc1F ZINC001209848628 1134083905 /nfs/dbraw/zinc/08/39/05/1134083905.db2.gz NXOWEGJYXFFSDT-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN COc1ccc(F)c(F)c1Nc1ccc2nc[nH]c2c1 ZINC001209848573 1134084080 /nfs/dbraw/zinc/08/40/80/1134084080.db2.gz KVZSTGDMJCYHDE-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN Nc1ccc(N(c2ccc3nc[nH]c3c2)C2CCCC2)nc1 ZINC001209848756 1134084831 /nfs/dbraw/zinc/08/48/31/1134084831.db2.gz RGSCTVCNYDWZRD-UHFFFAOYSA-N 0 1 293.374 3.621 20 0 CHADMN Cc1c(Cl)cc(N)cc1Nc1ccc2nc[nH]c2c1 ZINC001209851146 1134086841 /nfs/dbraw/zinc/08/68/41/1134086841.db2.gz JDIYBRMVKMKJGQ-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(Br)c(F)c1 ZINC001209967773 1134111788 /nfs/dbraw/zinc/11/17/88/1134111788.db2.gz RREKUQHYNJDOBI-UHFFFAOYSA-N 0 1 296.143 3.617 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(F)ccc1Br ZINC001209965997 1134111038 /nfs/dbraw/zinc/11/10/38/1134111038.db2.gz MUXKOYMOHJWUDC-UHFFFAOYSA-N 0 1 296.143 3.617 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc(C(F)(F)F)c1 ZINC001209965948 1134111331 /nfs/dbraw/zinc/11/13/31/1134111331.db2.gz JYYBIQOXJUATTJ-UHFFFAOYSA-N 0 1 267.254 3.735 20 0 CHADMN CCOc1ccc(OCC)c(Nc2cnc(N)cc2C)c1 ZINC001209966108 1134111378 /nfs/dbraw/zinc/11/13/78/1134111378.db2.gz UBGOJZJECILBIA-UHFFFAOYSA-N 0 1 287.363 3.513 20 0 CHADMN Cc1cc(N)ncc1Nc1cc2ccccc2s1 ZINC001209967971 1134111530 /nfs/dbraw/zinc/11/15/30/1134111530.db2.gz POFKWRGWRUIACI-UHFFFAOYSA-N 0 1 255.346 3.931 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(OC(F)F)c(Cl)c1 ZINC001209966859 1134111563 /nfs/dbraw/zinc/11/15/63/1134111563.db2.gz GVIXSUNXCLWPSG-UHFFFAOYSA-N 0 1 299.708 3.971 20 0 CHADMN Cc1cc(N)ncc1Nc1cnc2ccc(Cl)cc2c1 ZINC001209968415 1134111750 /nfs/dbraw/zinc/11/17/50/1134111750.db2.gz ZGKWXFKWXFJYAU-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1ccc(Nc2cnc(N)cc2C)cc1OC(F)F ZINC001209969820 1134112227 /nfs/dbraw/zinc/11/22/27/1134112227.db2.gz QSUHDLWMMNMWPJ-UHFFFAOYSA-N 0 1 279.290 3.626 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc2cc(Cl)cnc2c1 ZINC001209971441 1134112282 /nfs/dbraw/zinc/11/22/82/1134112282.db2.gz ZOSMBABWLRTSGE-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc2cnccc2c1Cl ZINC001209969802 1134112429 /nfs/dbraw/zinc/11/24/29/1134112429.db2.gz QIEQLJZHRCWQMR-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(Nc2cnc(N)cc2C)cc2scnc21 ZINC001209970973 1134112632 /nfs/dbraw/zinc/11/26/32/1134112632.db2.gz MPKACRARBODKBD-UHFFFAOYSA-N 0 1 270.361 3.634 20 0 CHADMN Cc1cc(Nc2ccc(O)c(C)c2)c2ccccc2n1 ZINC001209972179 1134113697 /nfs/dbraw/zinc/11/36/97/1134113697.db2.gz HAGPSANUQUEDIR-UHFFFAOYSA-N 0 1 264.328 3.723 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccc(OC(C)C)c(F)c1 ZINC001209995448 1134118986 /nfs/dbraw/zinc/11/89/86/1134118986.db2.gz WJWRSPNPGUVLOS-UHFFFAOYSA-N 0 1 299.349 3.842 20 0 CHADMN Cc1cn2cc(Nc3cc(C(=O)[O-])cc(F)c3C)ccc2[nH+]1 ZINC001210007820 1134121716 /nfs/dbraw/zinc/12/17/16/1134121716.db2.gz UIYWHXQNCOBFOF-UHFFFAOYSA-N 0 1 299.305 3.532 20 0 CHADMN COc1cc(Nc2ccc(N(C)C)c(C)c2)ncc1C ZINC001210042083 1134132007 /nfs/dbraw/zinc/13/20/07/1134132007.db2.gz VGNBUGYVECTOAZ-UHFFFAOYSA-N 0 1 271.364 3.517 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ncc2ccccc2n1 ZINC001210100430 1134145311 /nfs/dbraw/zinc/14/53/11/1134145311.db2.gz UGBHTXZGOWRGSP-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccnc(Cl)c1 ZINC001210100478 1134145480 /nfs/dbraw/zinc/14/54/80/1134145480.db2.gz WDLQGQIWWHZGAQ-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc([C@@H](C)O)c1 ZINC001210101003 1134145516 /nfs/dbraw/zinc/14/55/16/1134145516.db2.gz AGRLFFVOAZOJOE-LLVKDONJSA-N 0 1 267.332 3.668 20 0 CHADMN Cc1nc2sccc2c(Nc2cc3cn[nH]c3cc2C)n1 ZINC001210100332 1134145661 /nfs/dbraw/zinc/14/56/61/1134145661.db2.gz NWSKDXPBRRJKOB-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ncc(F)cc1Cl ZINC001210101716 1134146617 /nfs/dbraw/zinc/14/66/17/1134146617.db2.gz JUNSOQSGMGAHBN-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2nsnc21 ZINC001210103151 1134146816 /nfs/dbraw/zinc/14/68/16/1134146816.db2.gz VKKWJAPGFRAXHB-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN COc1cccc(Nc2cc3cn[nH]c3cc2C)c1OC ZINC001210102646 1134146895 /nfs/dbraw/zinc/14/68/95/1134146895.db2.gz RARHAXBLNXBSIJ-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN Cc1cnn(CC2CCC2)c1Nc1cc2cn[nH]c2cc1C ZINC001210102234 1134147062 /nfs/dbraw/zinc/14/70/62/1134147062.db2.gz NKYUABRPWCRAFE-UHFFFAOYSA-N 0 1 295.390 3.920 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1nccc2cnccc21 ZINC001210102684 1134147166 /nfs/dbraw/zinc/14/71/66/1134147166.db2.gz QLJYKJIUGFGALN-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccnc(OC(F)F)c1 ZINC001210101582 1134147299 /nfs/dbraw/zinc/14/72/99/1134147299.db2.gz IPSPXWPHAWJMMQ-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1cc(C)c(N)c(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210103584 1134147921 /nfs/dbraw/zinc/14/79/21/1134147921.db2.gz XSGOJJRUPJFONP-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(C2CCC2)nn1C ZINC001210103337 1134147957 /nfs/dbraw/zinc/14/79/57/1134147957.db2.gz YKCINEXHAOLLGH-UHFFFAOYSA-N 0 1 281.363 3.616 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(O)c(C)cc1F ZINC001210104976 1134148254 /nfs/dbraw/zinc/14/82/54/1134148254.db2.gz GTXIMBYNBBYZPL-UHFFFAOYSA-N 0 1 271.295 3.768 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(N)cc1Cl ZINC001210105267 1134148313 /nfs/dbraw/zinc/14/83/13/1134148313.db2.gz TZQDQULHADPSOR-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccccc1[C@H](C)O ZINC001210107309 1134148936 /nfs/dbraw/zinc/14/89/36/1134148936.db2.gz YLPWRPLBMSDJRL-NSHDSACASA-N 0 1 267.332 3.668 20 0 CHADMN COc1ccc2nc(N)n(-c3cc(C)cc(Cl)c3)c2c1 ZINC001210462974 1134221033 /nfs/dbraw/zinc/22/10/33/1134221033.db2.gz VQSBJNCWZPWWNY-UHFFFAOYSA-N 0 1 287.750 3.578 20 0 CHADMN Cc1cc(Nc2cccc([C@H](C)O)c2)c2ccccc2n1 ZINC001210505965 1134233325 /nfs/dbraw/zinc/23/33/25/1134233325.db2.gz XSLDGUBWKGZYHR-ZDUSSCGKSA-N 0 1 278.355 3.762 20 0 CHADMN Cc1cc(Nc2ccc3ocnc3c2)c2ccccc2n1 ZINC001210570125 1134251908 /nfs/dbraw/zinc/25/19/08/1134251908.db2.gz MRHSBYDYNXBDET-UHFFFAOYSA-N 0 1 275.311 3.850 20 0 CHADMN CC(C)c1nnc(Nc2cnc3sccc3c2)o1 ZINC001210687624 1134274000 /nfs/dbraw/zinc/27/40/00/1134274000.db2.gz GQGUIUWGJXUTPB-UHFFFAOYSA-N 0 1 260.322 3.546 20 0 CHADMN CCc1cc(OC)ccc1Nc1cc(OC)c(C)cn1 ZINC001210713858 1134279653 /nfs/dbraw/zinc/27/96/53/1134279653.db2.gz YZQDRXIWVBBAFQ-UHFFFAOYSA-N 0 1 272.348 3.713 20 0 CHADMN CC=C(C)Nc1cn2cc(C(F)(F)F)ccc2n1 ZINC001210793531 1134296802 /nfs/dbraw/zinc/29/68/02/1134296802.db2.gz QNADIOLYAKHHSO-FPYGCLRLSA-N 0 1 255.243 3.689 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1cc(F)c(Cl)c(F)c1 ZINC001210840947 1134310026 /nfs/dbraw/zinc/31/00/26/1134310026.db2.gz CFTHMCFQKXMWRA-UHFFFAOYSA-N 0 1 293.704 3.848 20 0 CHADMN Cc1cc(O)cnc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210923159 1134327608 /nfs/dbraw/zinc/32/76/08/1134327608.db2.gz LQLCFLIOPXRRDS-UHFFFAOYSA-N 0 1 285.130 3.852 20 0 CHADMN Cc1cc(Nc2cc(Cl)c(O)c(Cl)c2)no1 ZINC001210922745 1134328388 /nfs/dbraw/zinc/32/83/88/1134328388.db2.gz AWLYQIZSSBGKMQ-UHFFFAOYSA-N 0 1 259.092 3.739 20 0 CHADMN Nc1cccc2c1cnn2-c1cc(Cl)c(O)c(Cl)c1 ZINC001210927289 1134329420 /nfs/dbraw/zinc/32/94/20/1134329420.db2.gz JCRMSBSXWRBYAL-UHFFFAOYSA-N 0 1 294.141 3.620 20 0 CHADMN Oc1c(Cl)cc(Nc2ncccc2F)cc1Cl ZINC001210924116 1134330286 /nfs/dbraw/zinc/33/02/86/1134330286.db2.gz DZUZMNGPXWFEAG-UHFFFAOYSA-N 0 1 273.094 3.977 20 0 CHADMN C=C(Nc1cccc(OC)c1OC)c1ccccc1 ZINC001210985399 1134343270 /nfs/dbraw/zinc/34/32/70/1134343270.db2.gz NVIAGWTVVXOCLG-UHFFFAOYSA-N 0 1 255.317 3.787 20 0 CHADMN Cc1nsc(Nc2ccc(C(F)(F)F)nc2Cl)n1 ZINC001211197505 1134389792 /nfs/dbraw/zinc/38/97/92/1134389792.db2.gz BDCRZZDUFPRQJH-UHFFFAOYSA-N 0 1 294.689 3.657 20 0 CHADMN Cn1cncc1Nc1cc(-c2ccccc2)cs1 ZINC001211246793 1134398078 /nfs/dbraw/zinc/39/80/78/1134398078.db2.gz RUMRIHZTKBFNRT-UHFFFAOYSA-N 0 1 255.346 3.892 20 0 CHADMN COc1ccc(-c2cccc(Nc3cncn3C)c2)cc1 ZINC001211249150 1134398633 /nfs/dbraw/zinc/39/86/33/1134398633.db2.gz LDJVXIZGCOGIOS-UHFFFAOYSA-N 0 1 279.343 3.839 20 0 CHADMN Cn1cncc1Nc1c(Cl)cc(Cl)nc1Cl ZINC001211248987 1134399164 /nfs/dbraw/zinc/39/91/64/1134399164.db2.gz VJXJJEVLXVQFRP-UHFFFAOYSA-N 0 1 277.542 3.519 20 0 CHADMN Cc1ccc(Cl)c(Nc2cncn2C)c1Cl ZINC001211249746 1134399500 /nfs/dbraw/zinc/39/95/00/1134399500.db2.gz ZYKFAGICMRPQBY-UHFFFAOYSA-N 0 1 256.136 3.779 20 0 CHADMN Cn1cncc1Nc1ccc(OC2CCCCC2)cc1 ZINC001211251288 1134400227 /nfs/dbraw/zinc/40/02/27/1134400227.db2.gz DHNDPIMPLRGYSE-UHFFFAOYSA-N 0 1 271.364 3.875 20 0 CHADMN Oc1cc(F)c(-c2cc3cc[nH]c3cc2F)cc1F ZINC001211352306 1134411357 /nfs/dbraw/zinc/41/13/57/1134411357.db2.gz KRVWPLBUYMZPKZ-UHFFFAOYSA-N 0 1 263.218 3.958 20 0 CHADMN Cc1c(F)ccc(F)c1-c1cc(F)c(O)cc1F ZINC001211359807 1134412587 /nfs/dbraw/zinc/41/25/87/1134412587.db2.gz MXLGDHUWNNYPQT-UHFFFAOYSA-N 0 1 256.198 3.924 20 0 CHADMN [NH3+]C1(c2cccc(-c3cc(F)c([O-])cc3F)c2)CCC1 ZINC001211359181 1134412735 /nfs/dbraw/zinc/41/27/35/1134412735.db2.gz CLWLMVAHVIVOPF-UHFFFAOYSA-N 0 1 275.298 3.675 20 0 CHADMN CC(=O)c1ccsc1Nc1ccc2nc(C)[nH]c2c1 ZINC001213071297 1134418589 /nfs/dbraw/zinc/41/85/89/1134418589.db2.gz KGYHQRQJXKRHQP-UHFFFAOYSA-N 0 1 271.345 3.879 20 0 CHADMN Cc1nc2ccc(Nc3ncc4ccccc4n3)cc2[nH]1 ZINC001213070515 1134419756 /nfs/dbraw/zinc/41/97/56/1134419756.db2.gz ULHZYAMVDMAZCE-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN CCC(=O)Nc1cccc(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213074524 1134420864 /nfs/dbraw/zinc/42/08/64/1134420864.db2.gz ZAMFOAGQKMDQFX-UHFFFAOYSA-N 0 1 294.358 3.963 20 0 CHADMN Cc1nc2cc(Nc3ccc4[nH]c(=O)sc4c3)ccc2[nH]1 ZINC001213074065 1134420876 /nfs/dbraw/zinc/42/08/76/1134420876.db2.gz AZZMAOWVFFCXLP-UHFFFAOYSA-N 0 1 296.355 3.930 20 0 CHADMN Cc1nc2cc(Nc3cccc(-n4cccn4)c3)ccc2[nH]1 ZINC001213074263 1134421237 /nfs/dbraw/zinc/42/12/37/1134421237.db2.gz MFHZOYKVNKIVQR-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1nc2cc(Nc3ccc(C4CC4)nc3)ccc2[nH]1 ZINC001213072252 1134421748 /nfs/dbraw/zinc/42/17/48/1134421748.db2.gz KBYGCQJSVATAEV-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1cc(C2CC2)cc(F)c1-n1[nH]c(=O)c2cc(N)ccc21 ZINC001213468294 1134450888 /nfs/dbraw/zinc/45/08/88/1134450888.db2.gz BXQSMURFHFKQKC-UHFFFAOYSA-N 0 1 297.333 3.638 20 0 CHADMN Cc1ncc(C2CC2)cc1Nc1nnc(C(C)C)o1 ZINC001213489532 1134454420 /nfs/dbraw/zinc/45/44/20/1134454420.db2.gz QLVSQBMTZAKWAL-UHFFFAOYSA-N 0 1 258.325 3.517 20 0 CHADMN CCOc1ccc(C(=O)[O-])cc1Nc1cc(C)cc(C)[nH+]1 ZINC001214267437 1134525658 /nfs/dbraw/zinc/52/56/58/1134525658.db2.gz NMNILYBUXOYPRS-UHFFFAOYSA-N 0 1 286.331 3.539 20 0 CHADMN Oc1c(F)cc(Nc2ccc3nccn3c2)cc1Cl ZINC001214480202 1134542199 /nfs/dbraw/zinc/54/21/99/1134542199.db2.gz OVRAMQCYKXIEOB-UHFFFAOYSA-N 0 1 277.686 3.576 20 0 CHADMN Cc1ccnc(C)c1Nc1ccc(Cl)c(O)c1F ZINC001214794039 1134573174 /nfs/dbraw/zinc/57/31/74/1134573174.db2.gz WEEGTINQXBQZQR-UHFFFAOYSA-N 0 1 266.703 3.940 20 0 CHADMN Cn1c2ccccc2nc1Nc1ccc(Cl)c(O)c1F ZINC001214791551 1134573309 /nfs/dbraw/zinc/57/33/09/1134573309.db2.gz XMOLFMFRIWJTIU-UHFFFAOYSA-N 0 1 291.713 3.815 20 0 CHADMN Cc1cc(C)c(Nc2ccc(Cl)c(O)c2F)cn1 ZINC001214793943 1134574254 /nfs/dbraw/zinc/57/42/54/1134574254.db2.gz PYZJGBUZZRDEER-UHFFFAOYSA-N 0 1 266.703 3.940 20 0 CHADMN Oc1cnc(Cl)cc1Nc1ccc(Cl)c(O)c1F ZINC001214796436 1134573975 /nfs/dbraw/zinc/57/39/75/1134573975.db2.gz VROXFMRJKNERDB-UHFFFAOYSA-N 0 1 289.093 3.682 20 0 CHADMN CCOc1cncc(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214795953 1134574379 /nfs/dbraw/zinc/57/43/79/1134574379.db2.gz CKUQGIYMTJUGEU-UHFFFAOYSA-N 0 1 282.702 3.722 20 0 CHADMN Oc1c(Cl)ccc(Nc2cn(C3CCC3)cn2)c1F ZINC001214798668 1134575575 /nfs/dbraw/zinc/57/55/75/1134575575.db2.gz ZFZFNQUTYVLEKG-UHFFFAOYSA-N 0 1 281.718 3.850 20 0 CHADMN Cc1cc(Nc2ccc(Cl)c(O)c2F)ccc1CO ZINC001214807307 1134576724 /nfs/dbraw/zinc/57/67/24/1134576724.db2.gz YPFUFUYRGMOTIC-UHFFFAOYSA-N 0 1 281.714 3.729 20 0 CHADMN O=C1Cc2ccc(Nc3ccc(Cl)c(O)c3F)cc2C1 ZINC001214809716 1134577026 /nfs/dbraw/zinc/57/70/26/1134577026.db2.gz YMMGWCADNDIHIP-UHFFFAOYSA-N 0 1 291.709 3.596 20 0 CHADMN c1nnsc1CN[C@@H](c1ccccc1)C1CCCCC1 ZINC000400211627 1134579208 /nfs/dbraw/zinc/57/92/08/1134579208.db2.gz QKDZHMIWTKBTLG-INIZCTEOSA-N 0 1 287.432 3.949 20 0 CHADMN Cc1ncc(Nc2c(F)c(F)ccc2OC(C)C)n1C ZINC001215076807 1134597431 /nfs/dbraw/zinc/59/74/31/1134597431.db2.gz WKGZQQNUKGADDG-UHFFFAOYSA-N 0 1 281.306 3.538 20 0 CHADMN COCOc1cc(C)c(Nc2ccc3nccn3c2)c(C)c1 ZINC001215159878 1134603184 /nfs/dbraw/zinc/60/31/84/1134603184.db2.gz IHWJJRSMAKUIRA-UHFFFAOYSA-N 0 1 297.358 3.677 20 0 CHADMN Oc1cc(F)c(-c2nc(-c3cccc(F)c3)no2)c(F)c1 ZINC001215348371 1134618719 /nfs/dbraw/zinc/61/87/19/1134618719.db2.gz YLDLQPXTLXYVQX-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN Cc1ccccc1-c1noc(-c2c(F)cc(O)cc2F)n1 ZINC001215347987 1134618868 /nfs/dbraw/zinc/61/88/68/1134618868.db2.gz OMJAAMKGFQAXJW-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN CC(C)Oc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000401939943 1134626788 /nfs/dbraw/zinc/62/67/88/1134626788.db2.gz MIVKBQQNIQGUNJ-OAHLLOKOSA-N 0 1 271.364 3.686 20 0 CHADMN Cc1nc(Cl)c(Nc2cc3n[nH]cc3c(F)c2)nc1C ZINC001215554177 1134639429 /nfs/dbraw/zinc/63/94/29/1134639429.db2.gz XXYLLGGSMMBVAI-UHFFFAOYSA-N 0 1 291.717 3.506 20 0 CHADMN Fc1cc(Nc2cc(Cl)ncc2F)cc2[nH]ncc21 ZINC001215552884 1134639845 /nfs/dbraw/zinc/63/98/45/1134639845.db2.gz ILTCERLESAFEHQ-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN Cc1c2ccc(Nc3cc4[nH]ncc4c(F)c3)cc2nn1C ZINC001215555227 1134640388 /nfs/dbraw/zinc/64/03/88/1134640388.db2.gz FLVDWQITBVSYEG-UHFFFAOYSA-N 0 1 295.321 3.641 20 0 CHADMN Fc1cc(F)c(Nc2cc3[nH]ncc3c(F)c2)c(F)c1 ZINC001215554795 1134640781 /nfs/dbraw/zinc/64/07/81/1134640781.db2.gz HSDSKUHYDVDDFH-UHFFFAOYSA-N 0 1 281.212 3.863 20 0 CHADMN Fc1cc(Nc2ccc3ocnc3c2)cc2[nH]ncc21 ZINC001215554863 1134641068 /nfs/dbraw/zinc/64/10/68/1134641068.db2.gz KTXBVTYPAHYLAI-UHFFFAOYSA-N 0 1 268.251 3.587 20 0 CHADMN Fc1cc(Nc2cccc(F)c2F)cc2[nH]ncc21 ZINC001215555300 1134641149 /nfs/dbraw/zinc/64/11/49/1134641149.db2.gz UFPFEVLSSZYACG-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN COc1cc(Cl)cnc1Nc1cc2n[nH]cc2c(F)c1 ZINC001215555606 1134641315 /nfs/dbraw/zinc/64/13/15/1134641315.db2.gz LHLQLVFCAMNQOA-UHFFFAOYSA-N 0 1 292.701 3.503 20 0 CHADMN CC(=O)Nc1cc(Nc2cc3[nH]ncc3c(F)c2)ccc1C ZINC001215555689 1134641415 /nfs/dbraw/zinc/64/14/15/1134641415.db2.gz MYCIDEMPMYSTTH-UHFFFAOYSA-N 0 1 298.321 3.712 20 0 CHADMN Cn1ccc2ccc(Nc3cc4[nH]ncc4c(F)c3)cc21 ZINC001215558496 1134642072 /nfs/dbraw/zinc/64/20/72/1134642072.db2.gz SWXFNVNTGNZEGS-UHFFFAOYSA-N 0 1 280.306 3.937 20 0 CHADMN CNc1cccc(C)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215558083 1134642080 /nfs/dbraw/zinc/64/20/80/1134642080.db2.gz IVOHXSXBLWAZDX-UHFFFAOYSA-N 0 1 270.311 3.796 20 0 CHADMN O=c1ccc2c(Nc3cc4[nH]ncc4c(F)c3)cccc2[nH]1 ZINC001215556388 1134642647 /nfs/dbraw/zinc/64/26/47/1134642647.db2.gz CTQBBXWQYCNJBP-UHFFFAOYSA-N 0 1 294.289 3.699 20 0 CHADMN CCc1cccc(O)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215559952 1134643599 /nfs/dbraw/zinc/64/35/99/1134643599.db2.gz YAIGSSCYJROHJT-UHFFFAOYSA-N 0 1 271.295 3.714 20 0 CHADMN Fc1c(CN2CCCCC2)cccc1Nc1ccno1 ZINC001215675518 1134659097 /nfs/dbraw/zinc/65/90/97/1134659097.db2.gz AMGVQKFRGAGZQA-UHFFFAOYSA-N 0 1 275.327 3.543 20 0 CHADMN Cc1cnc(Cl)c(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215754212 1134673712 /nfs/dbraw/zinc/67/37/12/1134673712.db2.gz OLMJXWAJAFHESQ-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1ccc(Nc2cnc(Cl)c(C)c2)c2cn[nH]c21 ZINC001215754265 1134673879 /nfs/dbraw/zinc/67/38/79/1134673879.db2.gz QSZJFHLOUCGGPM-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1ccc(Nc2nccc3cnccc32)c2cn[nH]c21 ZINC001215755537 1134674869 /nfs/dbraw/zinc/67/48/69/1134674869.db2.gz VMAUWOUQGANJKN-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN CC(=O)c1cccc(O)c1Nc1ccc(C)c2[nH]ncc21 ZINC001215758675 1134675750 /nfs/dbraw/zinc/67/57/50/1134675750.db2.gz BZGGJTLGBLOWLQ-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN Cc1ccc(Nc2c(C)cc(O)cc2C)c2cn[nH]c21 ZINC001215758651 1134676281 /nfs/dbraw/zinc/67/62/81/1134676281.db2.gz BEKGAIGEOLCUAO-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN COC(=O)c1ccc(Nc2ccc(C)c3[nH]ncc32)c(C)c1 ZINC001215757405 1134676335 /nfs/dbraw/zinc/67/63/35/1134676335.db2.gz RQPYADCGSLOFMX-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN COC(=O)c1c(F)cccc1Nc1ccc(C)c2[nH]ncc21 ZINC001215757960 1134676409 /nfs/dbraw/zinc/67/64/09/1134676409.db2.gz AXDVMJIYFDHXTO-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1ccc(Nc2ccc3oncc3c2)c2cn[nH]c21 ZINC001215759663 1134677281 /nfs/dbraw/zinc/67/72/81/1134677281.db2.gz PFFKLKHASACCGX-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1ccc(N(C)c2cc(Cl)ccc2N)c2cn[nH]c21 ZINC001215759427 1134677380 /nfs/dbraw/zinc/67/73/80/1134677380.db2.gz KKDQTVMZFFASTM-UHFFFAOYSA-N 0 1 286.766 3.875 20 0 CHADMN CCOc1ccc(C)c(F)c1Nc1nonc1C1CC1 ZINC001215763868 1134679736 /nfs/dbraw/zinc/67/97/36/1134679736.db2.gz WBQQNZBMADCKAK-UHFFFAOYSA-N 0 1 277.299 3.537 20 0 CHADMN OCc1cc(Nc2ccnc(Oc3ccccc3)c2)ccn1 ZINC001215775452 1134684209 /nfs/dbraw/zinc/68/42/09/1134684209.db2.gz SDKAFSHJPZYPMU-UHFFFAOYSA-N 0 1 293.326 3.505 20 0 CHADMN Cc1ccc(-c2noc(-c3ccc(O)c(F)c3)n2)cc1 ZINC001215792361 1134687657 /nfs/dbraw/zinc/68/76/57/1134687657.db2.gz PVVRZXGVVQKSQQ-UHFFFAOYSA-N 0 1 270.263 3.557 20 0 CHADMN Oc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1F ZINC001215792443 1134687684 /nfs/dbraw/zinc/68/76/84/1134687684.db2.gz RGUFAPPWLUSWDM-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN Cc1c(F)ccc(N)c1Nc1cc(Cl)cc2[nH]ncc21 ZINC001215861898 1134704998 /nfs/dbraw/zinc/70/49/98/1134704998.db2.gz OUUMGRYXIZLOTC-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN CSc1c(F)cc(-n2c(N)nc3ccccc32)cc1F ZINC001215922756 1134721826 /nfs/dbraw/zinc/72/18/26/1134721826.db2.gz BLUKVYDRDBBMEG-UHFFFAOYSA-N 0 1 291.326 3.608 20 0 CHADMN COc1ccc(Nc2cc(OC)c(C)cn2)c(C)c1C ZINC001215973859 1134737547 /nfs/dbraw/zinc/73/75/47/1134737547.db2.gz CNJORWWUYHUCSC-UHFFFAOYSA-N 0 1 272.348 3.768 20 0 CHADMN Cc1ncc(Nc2c(F)ccc(C3CC3)c2F)n1C ZINC001215993618 1134744789 /nfs/dbraw/zinc/74/47/89/1134744789.db2.gz XIPPTWIFIUFBQG-UHFFFAOYSA-N 0 1 263.291 3.628 20 0 CHADMN COc1cc(Nc2cc(C(C)C)ccc2N)ncc1C ZINC001216022299 1134751639 /nfs/dbraw/zinc/75/16/39/1134751639.db2.gz RDCYUGFKWQXBCF-UHFFFAOYSA-N 0 1 271.364 3.848 20 0 CHADMN Cc1cc(Nc2cc(C)cc(C)c2N)n(-c2ccncc2)n1 ZINC001216098771 1134777180 /nfs/dbraw/zinc/77/71/80/1134777180.db2.gz URVPXDCTRVBLDX-UHFFFAOYSA-N 0 1 293.374 3.518 20 0 CHADMN Cc1cc(Nc2cncc(F)c2C)c2ccccc2n1 ZINC001216190987 1134802401 /nfs/dbraw/zinc/80/24/01/1134802401.db2.gz XCYWKKFPQGQVMK-UHFFFAOYSA-N 0 1 267.307 3.551 20 0 CHADMN Cc1c(F)cncc1Nc1ccncc1Oc1ccccc1 ZINC001216190964 1134802593 /nfs/dbraw/zinc/80/25/93/1134802593.db2.gz WFLWIXVPIOZCOO-UHFFFAOYSA-N 0 1 295.317 3.882 20 0 CHADMN CN(C)Cc1cccc(Nc2cnc3occc3c2)c1F ZINC001216228503 1134812804 /nfs/dbraw/zinc/81/28/04/1134812804.db2.gz JVRAWLGIIKDYAZ-UHFFFAOYSA-N 0 1 285.322 3.772 20 0 CHADMN Cc1cc(Nc2cccc(CN(C)C)c2F)cnc1Cl ZINC001216227860 1134813971 /nfs/dbraw/zinc/81/39/71/1134813971.db2.gz SRFZDUCTGGGSFZ-UHFFFAOYSA-N 0 1 293.773 3.988 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc3cnoc3c2)c1F ZINC001216231469 1134814212 /nfs/dbraw/zinc/81/42/12/1134814212.db2.gz ACECCCVMSYNUOB-UHFFFAOYSA-N 0 1 285.322 3.772 20 0 CHADMN C[C@H](O)c1ccccc1Nc1cccc(CN(C)C)c1F ZINC001216231590 1134815249 /nfs/dbraw/zinc/81/52/49/1134815249.db2.gz FQMQHMSPUMQFIU-LBPRGKRZSA-N 0 1 288.366 3.684 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc(N(C)C)cc2)c1F ZINC001216231337 1134815340 /nfs/dbraw/zinc/81/53/40/1134815340.db2.gz YHGGBOWZEGWCSN-UHFFFAOYSA-N 0 1 287.382 3.697 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc3ocnc3c2)c1F ZINC001216231355 1134816311 /nfs/dbraw/zinc/81/63/11/1134816311.db2.gz YMNWDAWVNCNIEK-UHFFFAOYSA-N 0 1 285.322 3.772 20 0 CHADMN CCOc1ccc(C)c(-n2c(N)nc3c2cccc3C)c1 ZINC001216235940 1134817524 /nfs/dbraw/zinc/81/75/24/1134817524.db2.gz RXRVREUGUGYWDO-UHFFFAOYSA-N 0 1 281.359 3.623 20 0 CHADMN Cc1cc(Nc2ccnc(CO)c2)c(OC(C)C)cc1C ZINC001216379993 1134875290 /nfs/dbraw/zinc/87/52/90/1134875290.db2.gz NMNDLEIKCNHKHD-UHFFFAOYSA-N 0 1 286.375 3.722 20 0 CHADMN CCOc1ccc(Cl)cc1-n1c(N)nc2ccccc21 ZINC001216446657 1134899400 /nfs/dbraw/zinc/89/94/00/1134899400.db2.gz DMCJVNASOCRAJE-UHFFFAOYSA-N 0 1 287.750 3.660 20 0 CHADMN Oc1cccc(Cl)c1-c1nc(-c2cccc(F)c2)no1 ZINC001216522497 1134914161 /nfs/dbraw/zinc/91/41/61/1134914161.db2.gz UMYSAIGTLYYVQI-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN Fc1ccccc1Nc1cncn1Cc1ccccc1 ZINC001216552697 1134918589 /nfs/dbraw/zinc/91/85/89/1134918589.db2.gz XUXHHPUMKMBKQE-UHFFFAOYSA-N 0 1 267.307 3.814 20 0 CHADMN COc1ccc(Nc2cncn2Cc2ccccc2)c(C)c1 ZINC001216551973 1134919096 /nfs/dbraw/zinc/91/90/96/1134919096.db2.gz FMZKMODSZNOXSM-UHFFFAOYSA-N 0 1 293.370 3.992 20 0 CHADMN Cc1cc(Nc2cncn2Cc2ccccc2)ccc1O ZINC001216554117 1134919730 /nfs/dbraw/zinc/91/97/30/1134919730.db2.gz XWFRMOWCNBULED-UHFFFAOYSA-N 0 1 279.343 3.689 20 0 CHADMN COc1cc(Nc2cncn2Cc2ccccc2)ccc1C ZINC001216554065 1134919908 /nfs/dbraw/zinc/91/99/08/1134919908.db2.gz VKOOQKYLJJGRNQ-UHFFFAOYSA-N 0 1 293.370 3.992 20 0 CHADMN c1nc2c(cccc2Nc2cncn2Cc2ccccc2)o1 ZINC001216553763 1134919999 /nfs/dbraw/zinc/91/99/99/1134919999.db2.gz LXRXMDSSPJCHIF-UHFFFAOYSA-N 0 1 290.326 3.816 20 0 CHADMN Cc1cc(F)c(Nc2cncn2Cc2ccccc2)cc1O ZINC001216553350 1134920006 /nfs/dbraw/zinc/92/00/06/1134920006.db2.gz LPFQVTWQMSAROL-UHFFFAOYSA-N 0 1 297.333 3.828 20 0 CHADMN C[C@@H](O)c1ccc(Nc2cncn2Cc2ccccc2)cc1 ZINC001216553567 1134920064 /nfs/dbraw/zinc/92/00/64/1134920064.db2.gz HDVNMIRMJMTBST-CQSZACIVSA-N 0 1 293.370 3.728 20 0 CHADMN COCc1ccc(Nc2cncn2Cc2ccccc2)cc1 ZINC001216553889 1134920765 /nfs/dbraw/zinc/92/07/65/1134920765.db2.gz WOHKQBKOCZVPJH-UHFFFAOYSA-N 0 1 293.370 3.821 20 0 CHADMN Cc1ccc(Br)cc1CN1CCCCC1 ZINC000307266233 1134940092 /nfs/dbraw/zinc/94/00/92/1134940092.db2.gz GOLXBULVPVNOHI-UHFFFAOYSA-N 0 1 268.198 3.743 20 0 CHADMN CC[C@H](NCc1cc(C)ns1)c1ccccc1OC ZINC000404483439 1134946047 /nfs/dbraw/zinc/94/60/47/1134946047.db2.gz YOUYZIOMBANGCM-AWEZNQCLSA-N 0 1 276.405 3.701 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(Cl)nc2)CCc2ccccc21 ZINC000404792097 1134948972 /nfs/dbraw/zinc/94/89/72/1134948972.db2.gz HOGZSJZLMRMWPQ-ZDUSSCGKSA-N 0 1 286.806 3.897 20 0 CHADMN Cc1ccccc1-c1noc(-c2ccc3[nH]cnc3c2)n1 ZINC001217131440 1134963817 /nfs/dbraw/zinc/96/38/17/1134963817.db2.gz LYCSJGNQUSMMHY-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN Cc1ccc(F)c(-c2noc(-c3ccc4[nH]cnc4c3)n2)c1 ZINC001217131578 1134964327 /nfs/dbraw/zinc/96/43/27/1134964327.db2.gz QFAUYBVWCODNBH-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Clc1cccc(-c2noc(-c3cnc4[nH]cccc3-4)n2)c1 ZINC001217146251 1134965491 /nfs/dbraw/zinc/96/54/91/1134965491.db2.gz PTKFTYBNUZTEBY-UHFFFAOYSA-N 0 1 296.717 3.933 20 0 CHADMN Cc1ccncc1-c1noc(-c2ccc3occc3c2O)n1 ZINC001217514147 1134981765 /nfs/dbraw/zinc/98/17/65/1134981765.db2.gz NDOFPLDZKAXQEZ-UHFFFAOYSA-N 0 1 293.282 3.559 20 0 CHADMN CC(C)c1ccc(-c2nnc(C3(N)CCCC3)o2)cc1 ZINC001217694006 1134987611 /nfs/dbraw/zinc/98/76/11/1134987611.db2.gz DQSBNDAEVTYDLB-UHFFFAOYSA-N 0 1 271.364 3.588 20 0 CHADMN Cc1cc(Cl)ccc1-c1nnc([C@H]2CC[C@H](C)CN2)o1 ZINC001217702726 1134987791 /nfs/dbraw/zinc/98/77/91/1134987791.db2.gz NAIDXTWWVCHLEB-TVQRCGJNSA-N 0 1 291.782 3.759 20 0 CHADMN CC(C)c1ccc(-c2nnc([C@H]3NCCC[C@@H]3C)o2)cc1 ZINC001217702621 1134988079 /nfs/dbraw/zinc/98/80/79/1134988079.db2.gz MGCGQEADNUBRNH-WFASDCNBSA-N 0 1 285.391 3.921 20 0 CHADMN Cc1cc(Cl)ccc1-c1nnc([C@@H]2CC[C@H](C)CN2)o1 ZINC001217702727 1134988511 /nfs/dbraw/zinc/98/85/11/1134988511.db2.gz NAIDXTWWVCHLEB-ZANVPECISA-N 0 1 291.782 3.759 20 0 CHADMN CN[C@H](CC(C)C)c1nnc(-c2ccc(Cl)cc2)o1 ZINC001217715126 1134991139 /nfs/dbraw/zinc/99/11/39/1134991139.db2.gz SXZXCFGOLGFCQQ-GFCCVEGCSA-N 0 1 279.771 3.697 20 0 CHADMN CCCCNCc1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC001217727270 1134991901 /nfs/dbraw/zinc/99/19/01/1134991901.db2.gz OJHBCZONXHXTHF-UHFFFAOYSA-N 0 1 287.407 3.924 20 0 CHADMN CN[C@@H](CC1CCCCC1)c1nnc(Cc2ccccc2)o1 ZINC001217728082 1134992514 /nfs/dbraw/zinc/99/25/14/1134992514.db2.gz OZOCNICANCRJHG-INIZCTEOSA-N 0 1 299.418 3.891 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H]2c2nnc([C@](C)(N)CC(C)C)o2)cc1 ZINC001217732596 1134992610 /nfs/dbraw/zinc/99/26/10/1134992610.db2.gz DUDXKKNGBXONLY-RLFYNMQTSA-N 0 1 299.418 3.869 20 0 CHADMN Cc1cc(Cl)ccc1-c1nnc([C@](C)(N)CC(C)C)o1 ZINC001217733687 1134993482 /nfs/dbraw/zinc/99/34/82/1134993482.db2.gz QTTNTRWVPFYFFD-OAHLLOKOSA-N 0 1 293.798 3.918 20 0 CHADMN Cc1cccc(OC[C@@H](C)OCc2cccc3nc[nH]c32)c1 ZINC001217892594 1135018345 /nfs/dbraw/zinc/01/83/45/1135018345.db2.gz PRBIFRHVEYEAHW-CQSZACIVSA-N 0 1 296.370 3.855 20 0 CHADMN CC1(C)C[C@H](Oc2cc(Cl)c([O-])cc2Cl)CC[NH2+]1 ZINC001218473370 1135111128 /nfs/dbraw/zinc/11/11/28/1135111128.db2.gz XOTAUOQXWZQMHD-MRVPVSSYSA-N 0 1 290.190 3.608 20 0 CHADMN Cc1cccc2nc(NC(=O)c3cccc4[nH]ccc43)[nH]c21 ZINC001218503183 1135117399 /nfs/dbraw/zinc/11/73/99/1135117399.db2.gz XGNMHAROQUMOTF-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN Cc1cccc2nc(NC(=O)c3cc4ccccc4[nH]3)[nH]c21 ZINC001218503220 1135118108 /nfs/dbraw/zinc/11/81/08/1135118108.db2.gz XVNAHQHYVMBHDB-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN Fc1cc(Cl)ccc1CNCCOCC1CCCC1 ZINC000313267364 1135137705 /nfs/dbraw/zinc/13/77/05/1135137705.db2.gz SSFJOAQTXMTHRT-UHFFFAOYSA-N 0 1 285.790 3.776 20 0 CHADMN Cc1ccc(CNCc2ccccc2N2CCCC2)nc1C ZINC000314764943 1135147238 /nfs/dbraw/zinc/14/72/38/1135147238.db2.gz KLPHKJSHIYAKED-UHFFFAOYSA-N 0 1 295.430 3.588 20 0 CHADMN CC(C)=CCC/C(C)=C/CNC(=O)[C@@H]1NCc2ccccc21 ZINC001220298388 1135149951 /nfs/dbraw/zinc/14/99/51/1135149951.db2.gz JZLKJRUNKQOWOZ-HAZIXKIPSA-N 0 1 298.430 3.640 20 0 CHADMN CCC1CCN(Cc2cccc(O)c2Br)CC1 ZINC000315764585 1135160506 /nfs/dbraw/zinc/16/05/06/1135160506.db2.gz CGEGIKMJAPIVEC-UHFFFAOYSA-N 0 1 298.224 3.777 20 0 CHADMN C[C@@H](NCc1cccc(F)c1)c1cnn(-c2ccccc2)c1 ZINC000316924115 1135170751 /nfs/dbraw/zinc/17/07/51/1135170751.db2.gz XGMUORGWWPSSSJ-CQSZACIVSA-N 0 1 295.361 3.862 20 0 CHADMN Cc1ccc(CN2CCN(c3ccc(C)c(C)c3)CC2)o1 ZINC000197263984 1135184848 /nfs/dbraw/zinc/18/48/48/1135184848.db2.gz HNAQBPRWTFLAQL-UHFFFAOYSA-N 0 1 284.403 3.527 20 0 CHADMN CC[NH+](CC)Cc1ccncc1-c1cc(F)c([O-])cc1F ZINC001222083232 1135190172 /nfs/dbraw/zinc/19/01/72/1135190172.db2.gz VBGOJAUSJFRSJI-UHFFFAOYSA-N 0 1 292.329 3.574 20 0 CHADMN COC(=O)c1c(F)cc(C)cc1-c1cc(F)c(O)cc1F ZINC001222087344 1135191365 /nfs/dbraw/zinc/19/13/65/1135191365.db2.gz YZSKIKCLNIXGIZ-UHFFFAOYSA-N 0 1 296.244 3.572 20 0 CHADMN Cc1cc(-c2nccc3c2CCN3)c(F)cc1Cl ZINC001222220453 1135209930 /nfs/dbraw/zinc/20/99/30/1135209930.db2.gz FQTMSEWDAQJDHP-UHFFFAOYSA-N 0 1 262.715 3.818 20 0 CHADMN C[C@H](OCc1cnc[nH]1)c1ccc(Cl)cc1Cl ZINC001222999741 1135292919 /nfs/dbraw/zinc/29/29/19/1135292919.db2.gz GXEKFXCGFQIDLO-QMMMGPOBSA-N 0 1 271.147 3.994 20 0 CHADMN CCN1CCC[C@@H](OC(Cl)(Cl)c2ccccc2)C1 ZINC001223305784 1135325802 /nfs/dbraw/zinc/32/58/02/1135325802.db2.gz NIGMXSYIRNTJMO-CYBMUJFWSA-N 0 1 288.218 3.775 20 0 CHADMN CCN1CC[C@@H](OC(Cl)(Cl)c2ccccc2F)C1 ZINC001223768228 1135380740 /nfs/dbraw/zinc/38/07/40/1135380740.db2.gz GOGUXPRLODPPBW-SNVBAGLBSA-N 0 1 292.181 3.524 20 0 CHADMN Clc1ccc(CN2CC[C@@H](OCc3ccoc3)C2)cc1 ZINC001223786152 1135384334 /nfs/dbraw/zinc/38/43/34/1135384334.db2.gz RCSBCFZQXCRAKB-MRXNPFEDSA-N 0 1 291.778 3.724 20 0 CHADMN c1cc(CCO[C@H]2CCN3Cc4ccccc4N=C23)cs1 ZINC001224535366 1135458515 /nfs/dbraw/zinc/45/85/15/1135458515.db2.gz ODPQXTBNLKBINR-INIZCTEOSA-N 0 1 298.411 3.625 20 0 CHADMN Clc1ccc(CN2CC[C@H](OCCC3CC3)C2)cc1 ZINC001224762475 1135479458 /nfs/dbraw/zinc/47/94/58/1135479458.db2.gz XEIFAOFNAFDDAU-INIZCTEOSA-N 0 1 279.811 3.731 20 0 CHADMN Cc1cccc([C@H](C)Oc2nc(C(F)(F)F)cc(=O)[nH]2)c1 ZINC001225981044 1135647497 /nfs/dbraw/zinc/64/74/97/1135647497.db2.gz WEKCHFRZACDBST-VIFPVBQESA-N 0 1 298.264 3.649 20 0 CHADMN CCCCC(=O)[C@H](CCCC)Oc1cccc2[nH]nnc21 ZINC001225990643 1135648806 /nfs/dbraw/zinc/64/88/06/1135648806.db2.gz FRXPWECJOBTAIY-AWEZNQCLSA-N 0 1 289.379 3.655 20 0 CHADMN CC[C@@H](Oc1cccc2[nH]nnc21)c1ccccc1F ZINC001225991926 1135649039 /nfs/dbraw/zinc/64/90/39/1135649039.db2.gz KOVFSGCFYWWCBB-CYBMUJFWSA-N 0 1 271.295 3.627 20 0 CHADMN Clc1ccc2c(c1)[C@@H](Oc1n[nH]c3ncccc13)CC2 ZINC001226305087 1135682848 /nfs/dbraw/zinc/68/28/48/1135682848.db2.gz GZUFTEXGMJEWKT-ZDUSSCGKSA-N 0 1 285.734 3.678 20 0 CHADMN CCC[C@H](C)[C@@H](Oc1n[nH]c2ncccc12)C(C)C ZINC001226306346 1135682856 /nfs/dbraw/zinc/68/28/56/1135682856.db2.gz SRAZWGPTHRYYCG-AAEUAGOBSA-N 0 1 261.369 3.798 20 0 CHADMN Nc1cc(O[C@H](c2cccnc2)C2CC2)c2ccccc2n1 ZINC001226421219 1135694889 /nfs/dbraw/zinc/69/48/89/1135694889.db2.gz CIEHZLIGAAMSDE-SFHVURJKSA-N 0 1 291.354 3.742 20 0 CHADMN C[C@@H]1CCCC[C@@H]1Oc1cc(N)nc2ccccc21 ZINC001226420413 1135695002 /nfs/dbraw/zinc/69/50/02/1135695002.db2.gz ZVJOCNDJXSJYMF-RISCZKNCSA-N 0 1 256.349 3.775 20 0 CHADMN CC(C)C(Oc1cc(N)nc2ccccc21)C(C)C ZINC001226423188 1135695397 /nfs/dbraw/zinc/69/53/97/1135695397.db2.gz UDMCMCVQYAGUSC-UHFFFAOYSA-N 0 1 258.365 3.876 20 0 CHADMN Cc1ccc2nc(O[C@@H]3CCC(=O)c4ccccc43)[nH]c2c1 ZINC001226505808 1135704655 /nfs/dbraw/zinc/70/46/55/1135704655.db2.gz IYENZFZODVMMRS-QGZVFWFLSA-N 0 1 292.338 3.968 20 0 CHADMN Cc1ccc2nc(O[C@H](C)c3cccnc3F)[nH]c2c1 ZINC001226507525 1135705874 /nfs/dbraw/zinc/70/58/74/1135705874.db2.gz AWEJRJDFFUCUIG-SNVBAGLBSA-N 0 1 271.295 3.545 20 0 CHADMN Cc1ccc2nc(O[C@@H](C)c3cc(C)cnc3F)[nH]c2c1 ZINC001226507864 1135706219 /nfs/dbraw/zinc/70/62/19/1135706219.db2.gz FFXCWABSPJHNMK-NSHDSACASA-N 0 1 285.322 3.854 20 0 CHADMN C[C@@H](Oc1nc2ccc(F)cc2[nH]1)c1ccc(F)cc1 ZINC001226701775 1135731122 /nfs/dbraw/zinc/73/11/22/1135731122.db2.gz VBCDQMBYBWFCRD-SECBINFHSA-N 0 1 274.270 3.981 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2Oc1nc2ccc(F)cc2[nH]1 ZINC001226703556 1135731791 /nfs/dbraw/zinc/73/17/91/1135731791.db2.gz DFUDMYDGQIOKBH-HNNXBMFYSA-N 0 1 286.281 3.907 20 0 CHADMN COc1ccc([C@H](C)Oc2ccc3nc[nH]c3c2)cc1OC ZINC001226928630 1135762255 /nfs/dbraw/zinc/76/22/55/1135762255.db2.gz OBTAQZRDFAWKMW-NSHDSACASA-N 0 1 298.342 3.720 20 0 CHADMN CO[C@H]1CCCC[C@@H]1Oc1nc2ccc(Cl)cc2[nH]1 ZINC001227265958 1135811791 /nfs/dbraw/zinc/81/17/91/1135811791.db2.gz GQIRHFONAROTQC-STQMWFEESA-N 0 1 280.755 3.553 20 0 CHADMN Cc1cccc2nc(O[C@H]3CCOc4ccccc43)[nH]c21 ZINC001227267285 1135811919 /nfs/dbraw/zinc/81/19/19/1135811919.db2.gz ATYDEPBSXBNKRQ-HNNXBMFYSA-N 0 1 280.327 3.774 20 0 CHADMN C[C@@H](Cc1ccco1)Oc1nc2ccc(Cl)cc2[nH]1 ZINC001227262790 1135812363 /nfs/dbraw/zinc/81/23/63/1135812363.db2.gz XJPAYEDRHINBGM-VIFPVBQESA-N 0 1 276.723 3.819 20 0 CHADMN Cc1cccc2nc(OCc3ccnc(OC(C)C)c3)[nH]c21 ZINC001227267253 1135813345 /nfs/dbraw/zinc/81/33/45/1135813345.db2.gz AIXPEIFPJPGFDS-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN Cc1cccc2nc(OC3CCC(F)(F)CC3)[nH]c21 ZINC001227270649 1135813616 /nfs/dbraw/zinc/81/36/16/1135813616.db2.gz BITKLUITSIJCOL-UHFFFAOYSA-N 0 1 266.291 3.828 20 0 CHADMN CC[N@H+]1CCC[C@@H](Oc2ccc(Cl)cc2Cl)C1 ZINC001227511657 1135841585 /nfs/dbraw/zinc/84/15/85/1135841585.db2.gz KRJZMHOFQTXDNK-LLVKDONJSA-N 0 1 274.191 3.857 20 0 CHADMN CCN1CCC[C@@H](Oc2ccc(Cl)cc2Cl)C1 ZINC001227511657 1135841589 /nfs/dbraw/zinc/84/15/89/1135841589.db2.gz KRJZMHOFQTXDNK-LLVKDONJSA-N 0 1 274.191 3.857 20 0 CHADMN COc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1O ZINC000095938704 185034788 /nfs/dbraw/zinc/03/47/88/185034788.db2.gz XFIQDVVGSIERBR-UHFFFAOYSA-N 0 1 274.707 3.598 20 0 CHADMN CCn1ccnc1CN1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000352800737 529569409 /nfs/dbraw/zinc/56/94/09/529569409.db2.gz IBZGERWLONZEKJ-WBVHZDCISA-N 0 1 283.419 3.876 20 0 CHADMN CCc1ncc(CN(C)Cc2ccc(C)c(C)c2)s1 ZINC000353588900 529752127 /nfs/dbraw/zinc/75/21/27/529752127.db2.gz OAOWWRMTYPOCRM-UHFFFAOYSA-N 0 1 274.433 3.954 20 0 CHADMN CCc1ncc(CNC2(c3ccc(F)cc3)CC2)s1 ZINC000344265642 529755135 /nfs/dbraw/zinc/75/51/35/529755135.db2.gz UJIXIDXBXFXALC-UHFFFAOYSA-N 0 1 276.380 3.624 20 0 CHADMN CN(C)c1ccccc1CNCc1cc2cc(F)ccc2o1 ZINC000347840940 529794944 /nfs/dbraw/zinc/79/49/44/529794944.db2.gz NOVGGRQAWPTRPL-UHFFFAOYSA-N 0 1 298.361 3.928 20 0 CHADMN CN(C/C=C/c1ccc(F)cc1F)Cc1cccnc1 ZINC000350454227 529820004 /nfs/dbraw/zinc/82/00/04/529820004.db2.gz FFPLIRPBSLSCEF-HWKANZROSA-N 0 1 274.314 3.505 20 0 CHADMN CC(C)(C)C1CC(NCc2nc(-c3ccccc3)no2)C1 ZINC000573542124 334945667 /nfs/dbraw/zinc/94/56/67/334945667.db2.gz SBEMQBXQSYQRPT-UHFFFAOYSA-N 0 1 285.391 3.651 20 0 CHADMN CN(Cc1ccccn1)Cc1cc(Cl)cc2cccnc21 ZINC000350462590 530005177 /nfs/dbraw/zinc/00/51/77/530005177.db2.gz PLTZMGWATMRKIF-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CCCCCF)CC(=O)[O-] ZINC000517759176 260233721 /nfs/dbraw/zinc/23/37/21/260233721.db2.gz LRELLRZVTPGSCI-OAHLLOKOSA-N 0 1 281.371 3.664 20 0 CHADMN CC[C@H](C)C[N@@H+](C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000574213333 335001547 /nfs/dbraw/zinc/00/15/47/335001547.db2.gz OAZICCYUUGYCLL-JTQLQIEISA-N 0 1 269.772 3.516 20 0 CHADMN CCCOc1ccc(CN[C@H](C)c2cncs2)cc1 ZINC000161671882 261256173 /nfs/dbraw/zinc/25/61/73/261256173.db2.gz OLSSSYUTHXOQOU-GFCCVEGCSA-N 0 1 276.405 3.783 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1nc(CC(C)C)no1)C1CC1 ZINC000104966280 261304009 /nfs/dbraw/zinc/30/40/09/261304009.db2.gz UFHVXSYGNCDIKV-STQMWFEESA-N 0 1 279.428 3.667 20 0 CHADMN Cc1cccc(CN[C@H](c2ccccc2F)[C@@H](C)O)c1C ZINC000574455497 335021186 /nfs/dbraw/zinc/02/11/86/335021186.db2.gz BNXAXXKTRAFCNG-KDOFPFPSSA-N 0 1 287.378 3.654 20 0 CHADMN CSc1ccc(CN[C@@H](C)c2ccccn2)s1 ZINC000352856136 532957838 /nfs/dbraw/zinc/95/78/38/532957838.db2.gz VPTWUFPQCDLSKI-JTQLQIEISA-N 0 1 264.419 3.716 20 0 CHADMN CSc1ccc(CN[C@H](C)c2n[nH]c(C(C)C)n2)s1 ZINC000352831462 532959338 /nfs/dbraw/zinc/95/93/38/532959338.db2.gz CWZAXGMNVXQISV-SECBINFHSA-N 0 1 296.465 3.562 20 0 CHADMN Cc1cccc(NC(=O)c2ccc3cncn3c2)c1Cl ZINC000574783577 335047335 /nfs/dbraw/zinc/04/73/35/335047335.db2.gz QNPSXIVVVXDDET-UHFFFAOYSA-N 0 1 285.734 3.548 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(F)c(F)c2)cc1F ZINC000035016846 260004339 /nfs/dbraw/zinc/00/43/39/260004339.db2.gz RWINUCQUGNHWRT-SNVBAGLBSA-N 0 1 295.304 3.963 20 0 CHADMN CCc1ccc([C@H](COC)N[C@H]2CS[C@H](C(C)C)C2)o1 ZINC000488436122 262320746 /nfs/dbraw/zinc/32/07/46/262320746.db2.gz XEDMTODYZGKEIY-INWMFGNUSA-N 0 1 297.464 3.649 20 0 CHADMN CC[C@@H](C)C[N@@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000575065721 335061299 /nfs/dbraw/zinc/06/12/99/335061299.db2.gz WQDWKNYJBNQGPD-SNVBAGLBSA-N 0 1 269.772 3.516 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccccc1)c1nccc2ccccc21 ZINC000353250180 533512599 /nfs/dbraw/zinc/51/25/99/533512599.db2.gz FGJYBZTVYMPMMD-KDOFPFPSSA-N 0 1 292.382 3.619 20 0 CHADMN C[C@@H](N[C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccco1 ZINC000335033575 533516169 /nfs/dbraw/zinc/51/61/69/533516169.db2.gz VUCYSSWOHQADCP-BXUZGUMPSA-N 0 1 286.375 3.815 20 0 CHADMN C[C@@H](N[C@@H]1CCCN(C)c2ccccc21)c1ccncc1F ZINC000334689658 533519878 /nfs/dbraw/zinc/51/98/78/533519878.db2.gz WGEDONCAUBCIJI-CXAGYDPISA-N 0 1 299.393 3.843 20 0 CHADMN Cc1cc(CN2CC3(CCC3(F)F)C2)cc2cccnc12 ZINC000336501279 533590954 /nfs/dbraw/zinc/59/09/54/533590954.db2.gz ZTEHNVLMVDYMRE-UHFFFAOYSA-N 0 1 288.341 3.774 20 0 CHADMN COc1cccc(OC)c1CNCc1ccc(C2CC2)cc1 ZINC000352707209 533630504 /nfs/dbraw/zinc/63/05/04/533630504.db2.gz QVUWQYCSSARBHN-UHFFFAOYSA-N 0 1 297.398 3.871 20 0 CHADMN Cc1ccc(C(C)(C)NCc2cc(F)c(F)c(F)c2)cn1 ZINC000353155392 533633435 /nfs/dbraw/zinc/63/34/35/533633435.db2.gz AVIKDILNAMDFSG-UHFFFAOYSA-N 0 1 294.320 3.832 20 0 CHADMN Cc1nc2ccccn2c1CNC1(c2cccc(F)c2)CC1 ZINC000341856302 130075383 /nfs/dbraw/zinc/07/53/83/130075383.db2.gz UOEKECJWRHBWJO-UHFFFAOYSA-N 0 1 295.361 3.561 20 0 CHADMN C[C@@H]1CCCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000341909575 130122948 /nfs/dbraw/zinc/12/29/48/130122948.db2.gz PHWBCGQOKCFDJC-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN C[C@@H](c1ccccn1)N1CCC(CC(F)(F)F)CC1 ZINC000341999738 130190922 /nfs/dbraw/zinc/19/09/22/130190922.db2.gz YCGMYDPXVRJBRA-NSHDSACASA-N 0 1 272.314 3.807 20 0 CHADMN Fc1ccc(CN2CCC[C@H]2[C@H]2CCCO2)cc1Cl ZINC000342011920 130198121 /nfs/dbraw/zinc/19/81/21/130198121.db2.gz DYHFYMJIKNLKKL-LSDHHAIUSA-N 0 1 283.774 3.623 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@@]2(C1)CCCOC2 ZINC000341986988 130210099 /nfs/dbraw/zinc/21/00/99/130210099.db2.gz GIYUYWCXQNUCAJ-SUMWQHHRSA-N 0 1 292.423 3.536 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C[C@H]3CC[C@H](C)C3)ccc12 ZINC000354998963 533673103 /nfs/dbraw/zinc/67/31/03/533673103.db2.gz ZCSGFTOAADPGAM-JQWIXIFHSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C[C@H]3CC[C@@H](C)C3)ccc12 ZINC000354998966 533673486 /nfs/dbraw/zinc/67/34/86/533673486.db2.gz ZCSGFTOAADPGAM-PWSUYJOCSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C[C@@H]3CCC[C@@H]3C)ccc12 ZINC000347546313 533673740 /nfs/dbraw/zinc/67/37/40/533673740.db2.gz NCLNEXKGAOKBPO-JQWIXIFHSA-N 0 1 271.364 3.636 20 0 CHADMN COc1ccc(CNCc2ccc3occc3c2)c(OC)c1 ZINC000352792972 533675048 /nfs/dbraw/zinc/67/50/48/533675048.db2.gz OEDMKFRXQWFNNR-UHFFFAOYSA-N 0 1 297.354 3.740 20 0 CHADMN C[C@H]1CCC[C@H](C)N1CC(=O)Nc1ccc(Cl)cc1 ZINC000009997571 170393909 /nfs/dbraw/zinc/39/39/09/170393909.db2.gz DFTFKPPZLGJRKG-RYUDHWBXSA-N 0 1 280.799 3.541 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccncc1 ZINC000020121414 171000250 /nfs/dbraw/zinc/00/02/50/171000250.db2.gz CISGECJFSHWSDQ-QWRGUYRKSA-N 0 1 262.303 3.772 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(Cl)cc2)cc1O ZINC000020121871 171000986 /nfs/dbraw/zinc/00/09/86/171000986.db2.gz UBICGWFPIAMBCE-NSHDSACASA-N 0 1 291.778 3.905 20 0 CHADMN C[C@H](NCc1ccccc1C(F)(F)F)c1ccccn1 ZINC000020123208 171004159 /nfs/dbraw/zinc/00/41/59/171004159.db2.gz IOJMZQSYLCCVSL-NSHDSACASA-N 0 1 280.293 3.951 20 0 CHADMN C[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccccn1 ZINC000020123288 171004208 /nfs/dbraw/zinc/00/42/08/171004208.db2.gz CFBRLYSSBVITTB-LLVKDONJSA-N 0 1 280.293 3.951 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccccn2)cc1OC ZINC000020123679 171004582 /nfs/dbraw/zinc/00/45/82/171004582.db2.gz UQFGLDGHDZEPMG-CHWSQXEVSA-N 0 1 286.375 3.511 20 0 CHADMN C[C@H](N[C@@H]1CCSc2ccccc21)c1ccccn1 ZINC000020123501 171004882 /nfs/dbraw/zinc/00/48/82/171004882.db2.gz MDFVNKPYBSFMRM-SWLSCSKDSA-N 0 1 270.401 3.969 20 0 CHADMN C[C@H](NCc1ccc(O)cc1)c1ccccc1Cl ZINC000020123967 171005369 /nfs/dbraw/zinc/00/53/69/171005369.db2.gz FSYZTYKGOALESF-NSHDSACASA-N 0 1 261.752 3.896 20 0 CHADMN COc1ccc(OC)c(CN[C@H](C)c2ccccc2C)c1 ZINC000020126297 171010488 /nfs/dbraw/zinc/01/04/88/171010488.db2.gz HCHUFSHRKJYXRJ-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@@H](C)c1cccnc1 ZINC000020127764 171014083 /nfs/dbraw/zinc/01/40/83/171014083.db2.gz PYISRBLGBTZSCM-KBPBESRZSA-N 0 1 270.376 3.892 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cccnc2)cc1F ZINC000020127902 171014168 /nfs/dbraw/zinc/01/41/68/171014168.db2.gz JGGPDLZIADYOMV-RYUDHWBXSA-N 0 1 274.339 3.641 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc(F)c1)c1cccc(O)c1 ZINC000020147938 171035287 /nfs/dbraw/zinc/03/52/87/171035287.db2.gz AIOASTIPDLDQCQ-VXGBXAGGSA-N 0 1 259.324 3.943 20 0 CHADMN O=C(Nc1cccc2ncccc21)c1cc(Cl)ccc1O ZINC000020562643 171252323 /nfs/dbraw/zinc/25/23/23/171252323.db2.gz ZMGVDGRKJHVRBQ-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN O=C(Nc1cccc2ncccc21)c1ccc(Cl)cc1O ZINC000021041985 171293769 /nfs/dbraw/zinc/29/37/69/171293769.db2.gz IWDNENZVIJXZBF-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN O=C(Nc1cccc2cnccc21)c1ccc(Cl)cc1O ZINC000035232058 172072015 /nfs/dbraw/zinc/07/20/15/172072015.db2.gz MQJVKRFONBSPMR-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN Cc1c([C@H](C)NCc2ccc(C(F)(F)F)cc2)cnn1C ZINC000035274309 172094573 /nfs/dbraw/zinc/09/45/73/172094573.db2.gz ALHHNFQFDHJGHQ-JTQLQIEISA-N 0 1 297.324 3.598 20 0 CHADMN COc1ccc([C@H](C)NCc2ccsc2)c(OC)c1 ZINC000035275691 172095021 /nfs/dbraw/zinc/09/50/21/172095021.db2.gz RVWCQGUBCUZKAV-NSHDSACASA-N 0 1 277.389 3.616 20 0 CHADMN O=C([O-])[C@H]1CCCC[N@H+]1CCC12CC3CC(CC(C3)C1)C2 ZINC000035298058 172111925 /nfs/dbraw/zinc/11/19/25/172111925.db2.gz OOLDDJRCPMJXIL-QFQXCOSMSA-N 0 1 291.435 3.532 20 0 CHADMN COc1ccc(-c2nc3ccc(Cl)cc3[nH]2)c(O)c1 ZINC000037311615 173113458 /nfs/dbraw/zinc/11/34/58/173113458.db2.gz QGIYKHWYRRPMGP-UHFFFAOYSA-N 0 1 274.707 3.598 20 0 CHADMN C[C@H]1CCCN(Cc2ccc(Br)s2)C1 ZINC000043680937 175091141 /nfs/dbraw/zinc/09/11/41/175091141.db2.gz XTVSJPJFFQTSPH-VIFPVBQESA-N 0 1 274.227 3.743 20 0 CHADMN c1cc2c(o1)CCCN(Cc1cc3ccccc3o1)C2 ZINC000344244341 225003300 /nfs/dbraw/zinc/00/33/00/225003300.db2.gz FNPDHVNJGTUIJY-UHFFFAOYSA-N 0 1 267.328 3.974 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cc[nH]c3C3CCC3)[nH]c2c1 ZINC000344487668 225084114 /nfs/dbraw/zinc/08/41/14/225084114.db2.gz VUHYEFJYWGVOTM-UHFFFAOYSA-N 0 1 294.358 3.719 20 0 CHADMN COC[C@@H](NCc1cccc2cc[nH]c21)c1ccc(F)cc1 ZINC000344598499 225114916 /nfs/dbraw/zinc/11/49/16/225114916.db2.gz FKORBZDMERBERQ-QGZVFWFLSA-N 0 1 298.361 3.784 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@H]2CCCc3c(O)cccc32)c1 ZINC000334760498 225311431 /nfs/dbraw/zinc/31/14/31/225311431.db2.gz LPFMKSSXTRVLTC-CJNGLKHVSA-N 0 1 282.387 3.824 20 0 CHADMN Cc1ccncc1CN1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000334767472 225314360 /nfs/dbraw/zinc/31/43/60/225314360.db2.gz AESWRZRFVYOZOV-WCQYABFASA-N 0 1 272.314 3.553 20 0 CHADMN COc1cc([C@@H](C)NCc2ccc(Cl)c(F)c2)ccn1 ZINC000347535195 226185810 /nfs/dbraw/zinc/18/58/10/226185810.db2.gz GRTHOTQBYSDCGN-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000350359531 227001125 /nfs/dbraw/zinc/00/11/25/227001125.db2.gz SJCROUVYKYQZBJ-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1ccc2ncccc2c1 ZINC000350359531 227001131 /nfs/dbraw/zinc/00/11/31/227001131.db2.gz SJCROUVYKYQZBJ-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000350359530 227001228 /nfs/dbraw/zinc/00/12/28/227001228.db2.gz SJCROUVYKYQZBJ-AWEZNQCLSA-N 0 1 277.371 3.823 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1ccc2ncccc2c1 ZINC000350359530 227001233 /nfs/dbraw/zinc/00/12/33/227001233.db2.gz SJCROUVYKYQZBJ-AWEZNQCLSA-N 0 1 277.371 3.823 20 0 CHADMN Cc1ncccc1CN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000367174515 227017194 /nfs/dbraw/zinc/01/71/94/227017194.db2.gz ROWRPERONVUZSC-AWEZNQCLSA-N 0 1 298.352 3.945 20 0 CHADMN C[C@H](CCc1ccc(O)cc1)Nc1cc2c(cn1)CCC2 ZINC000354546160 227028703 /nfs/dbraw/zinc/02/87/03/227028703.db2.gz SMRZXBJWCOGRKG-CYBMUJFWSA-N 0 1 282.387 3.709 20 0 CHADMN Cc1cnc([C@@H](C)N2CC[C@H](c3ccc(F)cc3)C2)o1 ZINC000336484813 227057468 /nfs/dbraw/zinc/05/74/68/227057468.db2.gz VTIQUNZQQDEFCQ-OCCSQVGLSA-N 0 1 274.339 3.673 20 0 CHADMN Cc1ccccc1SCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000352627468 227119530 /nfs/dbraw/zinc/11/95/30/227119530.db2.gz WBBCNZBFNOUJLE-UHFFFAOYSA-N 0 1 297.383 3.602 20 0 CHADMN Cc1cccc2[nH]c(CNCc3ccc4occc4c3)nc21 ZINC000352740653 227195445 /nfs/dbraw/zinc/19/54/45/227195445.db2.gz YLOZRGDPNBTKCW-UHFFFAOYSA-N 0 1 291.354 3.907 20 0 CHADMN Cc1cccc2nc(CNCc3ccc4occc4c3)[nH]c21 ZINC000352740653 227195453 /nfs/dbraw/zinc/19/54/53/227195453.db2.gz YLOZRGDPNBTKCW-UHFFFAOYSA-N 0 1 291.354 3.907 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1ccc(CC)nc1 ZINC000352782460 227217082 /nfs/dbraw/zinc/21/70/82/227217082.db2.gz VFRODMQKYNLYHU-AWEZNQCLSA-N 0 1 284.403 3.894 20 0 CHADMN CCn1cncc1CN[C@H](c1ccc(F)cc1F)C(C)C ZINC000417939118 227240315 /nfs/dbraw/zinc/24/03/15/227240315.db2.gz KBSCBOXDKBVALG-INIZCTEOSA-N 0 1 293.361 3.668 20 0 CHADMN Cc1c2ccccc2oc1[C@H](C)N[C@@H](C)c1ccnn1C ZINC000192729424 227282408 /nfs/dbraw/zinc/28/24/08/227282408.db2.gz JFJHKXLSZXFHLV-STQMWFEESA-N 0 1 283.375 3.887 20 0 CHADMN C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1Cc1cnc[nH]1 ZINC000355027247 227324043 /nfs/dbraw/zinc/32/40/43/227324043.db2.gz ZMJFKBPLENRSIR-SECBINFHSA-N 0 1 296.201 3.836 20 0 CHADMN CSCc1cnc(CN(C)C[C@@H]2CC=CCC2)s1 ZINC000352859547 227344043 /nfs/dbraw/zinc/34/40/43/227344043.db2.gz SWRVHRGQJUBGQC-GFCCVEGCSA-N 0 1 282.478 3.794 20 0 CHADMN Cc1cc(N(C)C[C@H]2CCCCO2)c2cc(F)ccc2n1 ZINC000301690942 227641768 /nfs/dbraw/zinc/64/17/68/227641768.db2.gz WONUPDAHGCHTMH-CQSZACIVSA-N 0 1 288.366 3.688 20 0 CHADMN C[C@H]1CSCCN1Cc1cnc(-c2ccsc2)s1 ZINC000353475512 228107541 /nfs/dbraw/zinc/10/75/41/228107541.db2.gz WQMBWJKICLAXOJ-JTQLQIEISA-N 0 1 296.486 3.809 20 0 CHADMN CCc1nnc([C@H](C)N[C@@H]2CCC[C@H]2c2ccccc2)o1 ZINC000331515966 228109837 /nfs/dbraw/zinc/10/98/37/228109837.db2.gz JQONQGZWOCILMU-AEGPPILISA-N 0 1 285.391 3.619 20 0 CHADMN CCc1sc(-c2nc(C3(N)CCCCC3)no2)cc1C ZINC000331535084 228110643 /nfs/dbraw/zinc/11/06/43/228110643.db2.gz HCIAGEQBGGPERL-UHFFFAOYSA-N 0 1 291.420 3.787 20 0 CHADMN C[C@H]1CSCCN1Cc1cc2cc(F)ccc2o1 ZINC000353516483 228113007 /nfs/dbraw/zinc/11/30/07/228113007.db2.gz YVOKUGSURCJZTA-JTQLQIEISA-N 0 1 265.353 3.509 20 0 CHADMN Fc1cccc2c1CCN(Cc1ccc3ncccc3c1)C2 ZINC000353527426 228114703 /nfs/dbraw/zinc/11/47/03/228114703.db2.gz LCLNNZIZIFAWGZ-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN Cc1noc([C@H]2CCCCN2CCCC2CCCC2)n1 ZINC000353550346 228118465 /nfs/dbraw/zinc/11/84/65/228118465.db2.gz OBTFMGUZPUEYSH-OAHLLOKOSA-N 0 1 277.412 3.875 20 0 CHADMN c1cc2ccc(CNCc3ccc4occc4c3)nc2[nH]1 ZINC000353220842 228070790 /nfs/dbraw/zinc/07/07/90/228070790.db2.gz DTNIGNYOCCMNGB-UHFFFAOYSA-N 0 1 277.327 3.599 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccoc2C)c(C)c1OC ZINC000353392950 228094753 /nfs/dbraw/zinc/09/47/53/228094753.db2.gz IBOWADXBDBKADK-GFCCVEGCSA-N 0 1 289.375 3.764 20 0 CHADMN c1c2cccnc2[nH]c1-c1nc([C@@H]2CCCCS2)no1 ZINC000333643713 228208024 /nfs/dbraw/zinc/20/80/24/228208024.db2.gz ISMQNKJONYVLDZ-NSHDSACASA-N 0 1 286.360 3.571 20 0 CHADMN CSCc1cnc(CN(C2CCC2)C2CCC2)s1 ZINC000353594247 228127863 /nfs/dbraw/zinc/12/78/63/228127863.db2.gz MOUBGMPBVLNSII-UHFFFAOYSA-N 0 1 282.478 3.913 20 0 CHADMN Clc1ccc2c(c1)[C@@H](NCc1ccc3cc[nH]c3n1)CC2 ZINC000353616280 228132323 /nfs/dbraw/zinc/13/23/23/228132323.db2.gz ZZQUAQFDAXWKKB-INIZCTEOSA-N 0 1 297.789 3.993 20 0 CHADMN c1cc(CNc2ccc3c(c2)nc2n3CCCCC2)ccn1 ZINC000356141729 228138446 /nfs/dbraw/zinc/13/84/46/228138446.db2.gz RNWGTCPFILCKBE-UHFFFAOYSA-N 0 1 292.386 3.770 20 0 CHADMN Cc1ncccc1CN1Cc2ccccc2C(C)(C)C1 ZINC000353694961 228145385 /nfs/dbraw/zinc/14/53/85/228145385.db2.gz ZWSZDLOKWPARNP-UHFFFAOYSA-N 0 1 266.388 3.683 20 0 CHADMN Fc1cc(CN2CCCC3(CCOCC3)C2)ccc1Cl ZINC000353694262 228145400 /nfs/dbraw/zinc/14/54/00/228145400.db2.gz YKQUIYJYKWPQRP-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN CCc1nnc(CN(C)C2CCC(C(C)(C)C)CC2)o1 ZINC000353719413 228148053 /nfs/dbraw/zinc/14/80/53/228148053.db2.gz XLKPMDNAGRLZCF-UHFFFAOYSA-N 0 1 279.428 3.669 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@H]3CCC(C)(C)C3)cc2[nH]1 ZINC000332211547 228152087 /nfs/dbraw/zinc/15/20/87/228152087.db2.gz GJSAMSXMFAFMGP-NSHDSACASA-N 0 1 271.364 3.636 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2CC2CC(F)(F)C2)n1 ZINC000336190888 228209347 /nfs/dbraw/zinc/20/93/47/228209347.db2.gz WSALTYCVUCUOGS-AWEZNQCLSA-N 0 1 266.335 3.572 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](c2nccn2C)C2CC2)c(C)c1 ZINC000353864738 228160494 /nfs/dbraw/zinc/16/04/94/228160494.db2.gz JFAYCTWZMULGTP-YOEHRIQHSA-N 0 1 283.419 3.839 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](c2nccn2C)C2CC2)cc1C ZINC000353863425 228160669 /nfs/dbraw/zinc/16/06/69/228160669.db2.gz GFEQAIOBANOJEC-RHSMWYFYSA-N 0 1 283.419 3.839 20 0 CHADMN C[C@@H](N[C@H]1CCCOc2ccc(F)cc21)c1cccnc1 ZINC000335946936 228169066 /nfs/dbraw/zinc/16/90/66/228169066.db2.gz OSAIKASZOXVGAP-WBMJQRKESA-N 0 1 286.350 3.785 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@@H]1CCC(F)(F)C1 ZINC000335957129 228169639 /nfs/dbraw/zinc/16/96/39/228169639.db2.gz JMTZVMDSHHEMJB-ZCFIWIBFSA-N 0 1 293.672 3.559 20 0 CHADMN OC[C@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccsc1 ZINC000351978831 228170817 /nfs/dbraw/zinc/17/08/17/228170817.db2.gz AVIVHMHFYZYYIK-GJZGRUSLSA-N 0 1 293.819 3.712 20 0 CHADMN OC[C@H](NCc1ccc(C(F)F)cc1)c1ccsc1 ZINC000352033417 228176426 /nfs/dbraw/zinc/17/64/26/228176426.db2.gz SYMPVPVUNNXGFS-ZDUSSCGKSA-N 0 1 283.343 3.509 20 0 CHADMN Cn1cccc1CN[C@@H]1CCc2sc(Cl)cc21 ZINC000336007349 228177639 /nfs/dbraw/zinc/17/76/39/228177639.db2.gz ZSFKLLZCLVBDCW-LLVKDONJSA-N 0 1 266.797 3.517 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN1CCC(F)(F)[C@H](C)C1 ZINC000336012204 228177953 /nfs/dbraw/zinc/17/79/53/228177953.db2.gz ZQIQARRAVOHZST-LLVKDONJSA-N 0 1 299.409 3.732 20 0 CHADMN Cc1cncc([C@H](C)N[C@@H]2CSc3ccccc32)c1 ZINC000336048587 228182337 /nfs/dbraw/zinc/18/23/37/228182337.db2.gz SLSRWUZTWZKLKB-SWLSCSKDSA-N 0 1 270.401 3.888 20 0 CHADMN FC1(F)CC(CN2CC(c3nc4ccccc4s3)C2)C1 ZINC000336197509 228210521 /nfs/dbraw/zinc/21/05/21/228210521.db2.gz QWZLWSRFRFVYKM-UHFFFAOYSA-N 0 1 294.370 3.741 20 0 CHADMN Cc1ccc(OC2CCN(Cc3ccco3)CC2)cc1C ZINC000352144027 228187441 /nfs/dbraw/zinc/18/74/41/228187441.db2.gz ZMKALWLLPBZOGI-UHFFFAOYSA-N 0 1 285.387 3.940 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)Nc1ccc(C)c(C)c1 ZINC000336144891 228197348 /nfs/dbraw/zinc/19/73/48/228197348.db2.gz ZCKUVIXLBIOMOS-UHFFFAOYSA-N 0 1 294.305 3.917 20 0 CHADMN C[C@H](c1ccc(F)cc1F)[N@H+]1CCCC2(CC2)C1 ZINC000352280757 228212725 /nfs/dbraw/zinc/21/27/25/228212725.db2.gz URPZSPATGXLEEH-LLVKDONJSA-N 0 1 251.320 3.902 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCCC2(CC2)C1 ZINC000352280757 228212726 /nfs/dbraw/zinc/21/27/26/228212726.db2.gz URPZSPATGXLEEH-LLVKDONJSA-N 0 1 251.320 3.902 20 0 CHADMN Cc1noc(C)c1CN[C@H]1CCCc2c(F)cccc21 ZINC000336213153 228215011 /nfs/dbraw/zinc/21/50/11/228215011.db2.gz IEMMBRSAHSDPKN-INIZCTEOSA-N 0 1 274.339 3.598 20 0 CHADMN c1c2cccnc2[nH]c1-c1nc(C2CCCCC2)no1 ZINC000333858601 228217377 /nfs/dbraw/zinc/21/73/77/228217377.db2.gz YUXYWQXVCPUDMY-UHFFFAOYSA-N 0 1 268.320 3.661 20 0 CHADMN Cc1ncccc1CN1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000336228131 228218267 /nfs/dbraw/zinc/21/82/67/228218267.db2.gz QBOQMFYUVRUFTH-ZWNOBZJWSA-N 0 1 272.314 3.553 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CCC[C@H](OC)C1 ZINC000172533850 260015713 /nfs/dbraw/zinc/01/57/13/260015713.db2.gz PIKQCOWJDHAWMG-SWLSCSKDSA-N 0 1 269.335 3.527 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H]2CCCCC2(C)C)c1 ZINC000447553637 260042155 /nfs/dbraw/zinc/04/21/55/260042155.db2.gz XFWXSGHTSZPOTA-ZDUSSCGKSA-N 0 1 289.375 3.750 20 0 CHADMN CN(Cc1cnn2ccccc12)Cc1ccc(Cl)cc1 ZINC000179616299 260059368 /nfs/dbraw/zinc/05/93/68/260059368.db2.gz YBFQQLNEUPTFSF-UHFFFAOYSA-N 0 1 285.778 3.620 20 0 CHADMN CCOC(=O)c1ccc(CN(C)[C@H](C)c2ccccc2)o1 ZINC000179702251 260065395 /nfs/dbraw/zinc/06/53/95/260065395.db2.gz IDWSYWQEPQGGIJ-CYBMUJFWSA-N 0 1 287.359 3.649 20 0 CHADMN Cc1ncccc1CN1CC=C(c2ccc(F)cc2)CC1 ZINC000179787766 260069024 /nfs/dbraw/zinc/06/90/24/260069024.db2.gz VPDYWFYATIAUQZ-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN CC(C)c1nc([C@@H](C)NCC(C)(C)C[C@@H](C)O)cs1 ZINC000186413529 260079376 /nfs/dbraw/zinc/07/93/76/260079376.db2.gz CLVZYGXMDUVERT-VXGBXAGGSA-N 0 1 284.469 3.714 20 0 CHADMN C[C@@H]1C[C@H](C)N1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000521384600 260092634 /nfs/dbraw/zinc/09/26/34/260092634.db2.gz PFJIZUAUDCKCLP-DTORHVGOSA-N 0 1 275.726 3.924 20 0 CHADMN Fc1cccc(CCCOc2ccccc2-c2nnc[nH]2)c1 ZINC000180404330 260100503 /nfs/dbraw/zinc/10/05/03/260100503.db2.gz RTUJGOHVDLROMK-UHFFFAOYSA-N 0 1 297.333 3.622 20 0 CHADMN CCOc1ccc([C@H](C)NCc2cnc(C)s2)cc1 ZINC000037505491 260113737 /nfs/dbraw/zinc/11/37/37/260113737.db2.gz DZNLKTHJWNFUHG-NSHDSACASA-N 0 1 276.405 3.701 20 0 CHADMN COCc1ccccc1CN[C@H](C)c1ccccc1F ZINC000037762661 260117127 /nfs/dbraw/zinc/11/71/27/260117127.db2.gz MUMSGGFUPIEYFD-CYBMUJFWSA-N 0 1 273.351 3.823 20 0 CHADMN C[C@H]1CCCCCN1Cc1ccc(Br)o1 ZINC000307075367 260134871 /nfs/dbraw/zinc/13/48/71/260134871.db2.gz NRVLLSZIHIVUBX-JTQLQIEISA-N 0 1 272.186 3.807 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1scnc1C ZINC000071212438 260160235 /nfs/dbraw/zinc/16/02/35/260160235.db2.gz GCVVNIJSDIIYRT-NSHDSACASA-N 0 1 276.405 3.619 20 0 CHADMN Cc1nc(C)c(CN[C@H](C)c2ccc(F)c(F)c2)s1 ZINC000076865022 260166761 /nfs/dbraw/zinc/16/67/61/260166761.db2.gz XZBUDPAWFIXEMT-MRVPVSSYSA-N 0 1 282.359 3.889 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)NCc1sc(C)nc1C ZINC000080693667 260181661 /nfs/dbraw/zinc/18/16/61/260181661.db2.gz PWBKDYDXYGFWJL-SECBINFHSA-N 0 1 294.395 3.758 20 0 CHADMN COCc1cccc(CNCc2ccsc2Cl)c1 ZINC000312615786 260182866 /nfs/dbraw/zinc/18/28/66/260182866.db2.gz PIFIAFDSENLPMH-UHFFFAOYSA-N 0 1 281.808 3.838 20 0 CHADMN CO[C@@H]([C@@H](C)NCc1cc(Cl)sc1Cl)C1CC1 ZINC000312629736 260185580 /nfs/dbraw/zinc/18/55/80/260185580.db2.gz RQYPYUJKVZWFMM-HQJQHLMTSA-N 0 1 294.247 3.958 20 0 CHADMN COC[C@H](N[C@H](C)c1ccccc1OC)c1ccccc1 ZINC000089667771 260192690 /nfs/dbraw/zinc/19/26/90/260192690.db2.gz DWUCELSKLFQVAZ-PBHICJAKSA-N 0 1 285.387 3.734 20 0 CHADMN O=c1ccc2c([nH]1)CCC[C@H]2NCc1ccsc1Cl ZINC000312750045 260196252 /nfs/dbraw/zinc/19/62/52/260196252.db2.gz GDRPADXNPHNMIR-LLVKDONJSA-N 0 1 294.807 3.669 20 0 CHADMN C[C@H]1CC[C@H](CNCc2cc(Cl)sc2Cl)O1 ZINC000312769819 260199616 /nfs/dbraw/zinc/19/96/16/260199616.db2.gz QCDHWTQEFCUMEL-IONNQARKSA-N 0 1 280.220 3.712 20 0 CHADMN Cc1ncsc1CN[C@@H](C)c1cnc2ccsc2c1 ZINC000085434035 260204055 /nfs/dbraw/zinc/20/40/55/260204055.db2.gz APQMTXJMGMQMKM-VIFPVBQESA-N 0 1 289.429 3.912 20 0 CHADMN COc1ccc(Br)c(CN(C)CC2CCC2)c1 ZINC000087798379 260227834 /nfs/dbraw/zinc/22/78/34/260227834.db2.gz RLDCQURWNKHIRC-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN COC(=O)c1ccc([C@@H](C)N(C)Cc2ccc(C)cc2)o1 ZINC000088264043 260229730 /nfs/dbraw/zinc/22/97/30/260229730.db2.gz YTMNKHMQAZLFNZ-CYBMUJFWSA-N 0 1 287.359 3.568 20 0 CHADMN COC(=O)c1ccc([C@H](C)N(C)Cc2ccc(C)cc2)o1 ZINC000088264037 260229846 /nfs/dbraw/zinc/22/98/46/260229846.db2.gz YTMNKHMQAZLFNZ-ZDUSSCGKSA-N 0 1 287.359 3.568 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(C)c(F)c2)cc1O ZINC000088511368 260233487 /nfs/dbraw/zinc/23/34/87/260233487.db2.gz REAIANLSDMYQGN-GFCCVEGCSA-N 0 1 289.350 3.699 20 0 CHADMN CC(C)n1cncc1CN[C@@H](C)c1cccc(Cl)c1 ZINC000090207627 260239361 /nfs/dbraw/zinc/23/93/61/260239361.db2.gz YBINUDITBPLXMZ-LBPRGKRZSA-N 0 1 277.799 3.968 20 0 CHADMN CC(C)C[C@@H](C)C[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000517759404 260240457 /nfs/dbraw/zinc/24/04/57/260240457.db2.gz VNGXPBDWFXFEOM-HYVNUMGLSA-N 0 1 289.419 3.959 20 0 CHADMN C[C@H](N[C@@H]1COCC1(C)C)c1ccccc1Br ZINC000313111278 260249659 /nfs/dbraw/zinc/24/96/59/260249659.db2.gz LWWWKJWDSUNTDF-GXFFZTMASA-N 0 1 298.224 3.525 20 0 CHADMN CC(C)[C@H]1CN(Cc2ccc(F)c(Cl)c2)CCCO1 ZINC000517972768 260329618 /nfs/dbraw/zinc/32/96/18/260329618.db2.gz RPJPTBNQUUORFL-OAHLLOKOSA-N 0 1 285.790 3.726 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNCc2ccc3[nH]cnc3c2)o1 ZINC000518272947 260365630 /nfs/dbraw/zinc/36/56/30/260365630.db2.gz XUBJNWYXWPVJOD-BXUZGUMPSA-N 0 1 281.359 3.569 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNCc2ccc3nc[nH]c3c2)o1 ZINC000518272947 260365632 /nfs/dbraw/zinc/36/56/32/260365632.db2.gz XUBJNWYXWPVJOD-BXUZGUMPSA-N 0 1 281.359 3.569 20 0 CHADMN CCO[C@H]1C[C@H](NCc2nc(C(C)(C)C)cs2)C1(C)C ZINC000224629304 260667601 /nfs/dbraw/zinc/66/76/01/260667601.db2.gz XSJYEDPSFKYRIS-AAEUAGOBSA-N 0 1 296.480 3.734 20 0 CHADMN C[C@H](NC1(C(=O)Nc2ccccc2)CC1)c1ccc(F)cc1 ZINC000427976754 260895986 /nfs/dbraw/zinc/89/59/86/260895986.db2.gz XNJYRUGMXQWSMN-ZDUSSCGKSA-N 0 1 298.361 3.648 20 0 CHADMN CO[C@H](C)CN(Cc1csc(-c2ccoc2)n1)C(C)C ZINC000354439218 261054925 /nfs/dbraw/zinc/05/49/25/261054925.db2.gz BEJGBNWXKOVBCJ-GFCCVEGCSA-N 0 1 294.420 3.648 20 0 CHADMN CC(C)C[C@H](NCc1ccc2c(c1)OCO2)c1ccccn1 ZINC000152058373 261058937 /nfs/dbraw/zinc/05/89/37/261058937.db2.gz UIBWYAVFDHMBEZ-INIZCTEOSA-N 0 1 298.386 3.687 20 0 CHADMN Cc1noc(C)c1C[C@H](C)N[C@@H](C)c1c(F)cccc1F ZINC000152150924 261060002 /nfs/dbraw/zinc/06/00/02/261060002.db2.gz VEUDDMLKLYJKDW-ONGXEEELSA-N 0 1 294.345 3.851 20 0 CHADMN c1ccc(-c2nnc(CN3CCC[C@@H]4CCC[C@@H]43)s2)cc1 ZINC000155272595 261100075 /nfs/dbraw/zinc/10/00/75/261100075.db2.gz SEXJXUVSIRRFJI-ZFWWWQNUSA-N 0 1 299.443 3.970 20 0 CHADMN COC[C@H](N[C@@H]1CCCc2ccccc21)c1ccc(C)o1 ZINC000156494427 261124643 /nfs/dbraw/zinc/12/46/43/261124643.db2.gz CQJZWXVIPCDKTO-SJORKVTESA-N 0 1 285.387 3.943 20 0 CHADMN C[C@H](O)C[C@@H]1CCCCN1Cc1cc(F)cc(Cl)c1 ZINC000448368391 261130855 /nfs/dbraw/zinc/13/08/55/261130855.db2.gz VLGAAYUBSWIFQX-NHYWBVRUSA-N 0 1 285.790 3.605 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc([S@](C)=O)cc2)o1 ZINC000158156749 261159870 /nfs/dbraw/zinc/15/98/70/261159870.db2.gz IIKUCQVNZGKKIO-MRRFBWAASA-N 0 1 291.416 3.737 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(-n3cncn3)cc2)o1 ZINC000158188806 261160859 /nfs/dbraw/zinc/16/08/59/261160859.db2.gz LZCIYLWEBQMNQR-KBPBESRZSA-N 0 1 296.374 3.581 20 0 CHADMN CCc1nc(C)c([C@H](C)N[C@H](C)c2cccnc2)s1 ZINC000158475618 261164843 /nfs/dbraw/zinc/16/48/43/261164843.db2.gz IFLVIXGSABUWCF-MNOVXSKESA-N 0 1 275.421 3.821 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)cc1N(C)C)c1cccnc1 ZINC000158547492 261167027 /nfs/dbraw/zinc/16/70/27/261167027.db2.gz ZZYTWBLTMSGXRP-CHWSQXEVSA-N 0 1 287.382 3.699 20 0 CHADMN CC(C)c1cccc(S(=O)(=O)Nc2ccsc2)c1 ZINC000174735251 261193063 /nfs/dbraw/zinc/19/30/63/261193063.db2.gz AXMSOWPIRGUWTH-UHFFFAOYSA-N 0 1 281.402 3.672 20 0 CHADMN CC[C@@H](C)CN1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000499244576 261196019 /nfs/dbraw/zinc/19/60/19/261196019.db2.gz BBJPHHODGOCYPH-IUODEOHRSA-N 0 1 299.361 3.707 20 0 CHADMN Cc1ccc(-c2nc(CN3CC[C@H](C)[C@H]3C)cs2)o1 ZINC000361341091 261210029 /nfs/dbraw/zinc/21/00/29/261210029.db2.gz MBNWDVXYHVHUMR-CMPLNLGQSA-N 0 1 276.405 3.942 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1cncc(C(F)(F)F)c1 ZINC000361357226 261218949 /nfs/dbraw/zinc/21/89/49/261218949.db2.gz WNGHNRGDVNACHK-MFKMUULPSA-N 0 1 272.314 3.863 20 0 CHADMN COc1ccc2oc(CN(C)Cc3ccco3)cc2c1 ZINC000162186196 261272613 /nfs/dbraw/zinc/27/26/13/261272613.db2.gz VSCUPWQESWIFLM-UHFFFAOYSA-N 0 1 271.316 3.666 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)[C@H](C)C3CC3)c2C1 ZINC000162201621 261273187 /nfs/dbraw/zinc/27/31/87/261273187.db2.gz AJBDOMWAMKCRNY-CYBMUJFWSA-N 0 1 286.419 3.643 20 0 CHADMN C[C@H](Sc1nc(-c2cccnc2)n[nH]1)c1ccccc1 ZINC000102828935 261273279 /nfs/dbraw/zinc/27/32/79/261273279.db2.gz VXNZPERQJWSHEZ-NSHDSACASA-N 0 1 282.372 3.720 20 0 CHADMN CCc1noc(C)c1CN(C)[C@@H](C)c1ccc(OC)cc1 ZINC000162702372 261291515 /nfs/dbraw/zinc/29/15/15/261291515.db2.gz LQNOVUASIPANFE-LBPRGKRZSA-N 0 1 288.391 3.747 20 0 CHADMN COc1ccc([C@H](N[C@@H](C)c2cnccn2)C(C)C)cc1 ZINC000163042234 261303188 /nfs/dbraw/zinc/30/31/88/261303188.db2.gz BUDJIYKPEIGDFN-SUMWQHHRSA-N 0 1 285.391 3.533 20 0 CHADMN C[C@@H](NCC1=CCCOC1)c1ccc(Cl)cc1Cl ZINC000176824876 261310289 /nfs/dbraw/zinc/31/02/89/261310289.db2.gz NJAKKKQTPNLLSD-SNVBAGLBSA-N 0 1 286.202 3.991 20 0 CHADMN O=C(c1c(O)cc(Cl)cc1Cl)N1CCCCCC1 ZINC000176935755 261318837 /nfs/dbraw/zinc/31/88/37/261318837.db2.gz IRYZBNCVFKUILJ-UHFFFAOYSA-N 0 1 288.174 3.715 20 0 CHADMN Cc1c(C)c(C)c(CN(C)Cc2cnn(C)c2)c(C)c1C ZINC000361631368 261361670 /nfs/dbraw/zinc/36/16/70/261361670.db2.gz POIUSLLAOSROSE-UHFFFAOYSA-N 0 1 285.435 3.594 20 0 CHADMN Cc1nc(CN(C)[C@H](C)Cc2ccc(O)cc2)sc1C ZINC000177994352 261373245 /nfs/dbraw/zinc/37/32/45/261373245.db2.gz LEUAMWYAWPMJSI-LLVKDONJSA-N 0 1 290.432 3.529 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cn3ccccc3n1)CCC2 ZINC000166006232 261381726 /nfs/dbraw/zinc/38/17/26/261381726.db2.gz IIMVNDLHSRXEEG-SFHVURJKSA-N 0 1 291.398 3.810 20 0 CHADMN C[C@H](NCCSCc1ccccc1)c1nccs1 ZINC000181189101 261429674 /nfs/dbraw/zinc/42/96/74/261429674.db2.gz SOOGSNUOWZHRMB-LBPRGKRZSA-N 0 1 278.446 3.727 20 0 CHADMN CO[C@@H](C)CN[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000182419303 261443611 /nfs/dbraw/zinc/44/36/11/261443611.db2.gz FDVTXFBRIRFOQV-JGVFFNPUSA-N 0 1 280.170 3.818 20 0 CHADMN Clc1ccc([C@@H](N[C@H]2CCOC2)c2ccsc2)cc1 ZINC000177917526 261720781 /nfs/dbraw/zinc/72/07/81/261720781.db2.gz KWJCYWSCMGDSPF-LSDHHAIUSA-N 0 1 293.819 3.869 20 0 CHADMN C[C@@H](NCCOCc1ccc(Cl)cc1)c1ccco1 ZINC000087096917 261724733 /nfs/dbraw/zinc/72/47/33/261724733.db2.gz ZDMBDIMPEOTOOG-GFCCVEGCSA-N 0 1 279.767 3.800 20 0 CHADMN CCC(CC)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179839531 261818976 /nfs/dbraw/zinc/81/89/76/261818976.db2.gz IXVORJDXLYLTQK-UHFFFAOYSA-N 0 1 281.306 3.875 20 0 CHADMN CCCn1cc(CN[C@H](C)c2cccc(Cl)c2)cn1 ZINC000116912089 261997621 /nfs/dbraw/zinc/99/76/21/261997621.db2.gz YOORWLVCCINZCR-GFCCVEGCSA-N 0 1 277.799 3.797 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)c2cncc(C)c2)c1 ZINC000184266086 262013809 /nfs/dbraw/zinc/01/38/09/262013809.db2.gz LSOUWXIEVPKSHN-KBPBESRZSA-N 0 1 297.402 3.760 20 0 CHADMN CCCN(CCc1cccs1)Cc1nccn1C(F)F ZINC000184514451 262022120 /nfs/dbraw/zinc/02/21/20/262022120.db2.gz CXALDVNNZFOWDG-UHFFFAOYSA-N 0 1 299.390 3.794 20 0 CHADMN CC(C)Cc1ccc(CN[C@@H](CCO)c2ccco2)cc1 ZINC000184514669 262022206 /nfs/dbraw/zinc/02/22/06/262022206.db2.gz MZUWKSURJGAVJE-KRWDZBQOSA-N 0 1 287.403 3.691 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3C[C@H]3C(C)C)c2C)o1 ZINC000185797141 262071759 /nfs/dbraw/zinc/07/17/59/262071759.db2.gz OLMWTEFQHIKXFW-RYUDHWBXSA-N 0 1 287.363 3.517 20 0 CHADMN CCC[C@H](NCc1ccc(Cl)cn1)c1cccnc1 ZINC000186229766 262085111 /nfs/dbraw/zinc/08/51/11/262085111.db2.gz BCMNONMNUPFFNK-HNNXBMFYSA-N 0 1 275.783 3.761 20 0 CHADMN C[C@@H](CCC1CC1)NCc1ncc(-c2ccccc2)cn1 ZINC000186506628 262095508 /nfs/dbraw/zinc/09/55/08/262095508.db2.gz ZMWRSKYAOBOOPG-AWEZNQCLSA-N 0 1 281.403 3.812 20 0 CHADMN CCC[C@@H](N[C@H](CCO)c1ccco1)c1ccccc1 ZINC000186522993 262097557 /nfs/dbraw/zinc/09/75/57/262097557.db2.gz UWMTVILEDUEXFK-HZPDHXFCSA-N 0 1 273.376 3.834 20 0 CHADMN OCC[C@@H](N[C@H]1CCCCc2ccccc21)c1ccco1 ZINC000186530940 262097606 /nfs/dbraw/zinc/09/76/06/262097606.db2.gz LIUQBVVPOIFMBZ-DLBZAZTESA-N 0 1 285.387 3.760 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccco1)c1ccc2c(c1)CCC2 ZINC000186562475 262099190 /nfs/dbraw/zinc/09/91/90/262099190.db2.gz YVQDVZLVLYXUPL-SUMWQHHRSA-N 0 1 285.387 3.543 20 0 CHADMN COc1ccc2cc(CN3CCO[C@H](C(C)C)C3)ccc2c1 ZINC000497216913 262110074 /nfs/dbraw/zinc/11/00/74/262110074.db2.gz ZNBZRNCWIVZYQY-IBGZPJMESA-N 0 1 299.414 3.705 20 0 CHADMN C[C@H](c1ccco1)N(C)C[C@H](O)c1ccc(F)cc1Cl ZINC000186804076 262110470 /nfs/dbraw/zinc/11/04/70/262110470.db2.gz VOVOFGWXJCAYPB-YGRLFVJLSA-N 0 1 297.757 3.799 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N1CCCC2(CC2)C1 ZINC000186965746 262119063 /nfs/dbraw/zinc/11/90/63/262119063.db2.gz HNBBYJJPTGLBNB-GFCCVEGCSA-N 0 1 256.349 3.765 20 0 CHADMN COc1cccc(CN(C)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000497512354 262171752 /nfs/dbraw/zinc/17/17/52/262171752.db2.gz YDFRPLHWUFIWKB-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN CC1(C)CCCC[C@@H]1NCc1nc(C2CCCC2)no1 ZINC000119899471 262174200 /nfs/dbraw/zinc/17/42/00/262174200.db2.gz OSQRPRLWOIYSQL-ZDUSSCGKSA-N 0 1 277.412 3.786 20 0 CHADMN CCC1(CNc2ccnc(C)c2Cl)CCOCC1 ZINC000310900110 262181170 /nfs/dbraw/zinc/18/11/70/262181170.db2.gz AUMHANXJUJHUKE-UHFFFAOYSA-N 0 1 268.788 3.662 20 0 CHADMN CC(C)[C@H](NCc1ccc(F)c(F)c1)c1ccc(F)cn1 ZINC000497818722 262212981 /nfs/dbraw/zinc/21/29/81/262212981.db2.gz WPGCJBAHUINHNG-INIZCTEOSA-N 0 1 294.320 3.986 20 0 CHADMN CC[C@@H]1CN(Cc2cccc(Cl)c2)CCS1 ZINC000525781006 262225484 /nfs/dbraw/zinc/22/54/84/262225484.db2.gz FVBCPXAVFIIPFA-CYBMUJFWSA-N 0 1 255.814 3.667 20 0 CHADMN COc1ccccc1CNCc1cc2ccccc2o1 ZINC000020087182 262228169 /nfs/dbraw/zinc/22/81/69/262228169.db2.gz DHTYZTXSVCHXHP-UHFFFAOYSA-N 0 1 267.328 3.731 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2Cl)C[C@@H](C)S1 ZINC000525786004 262235561 /nfs/dbraw/zinc/23/55/61/262235561.db2.gz BNUXSPMUBVZLEB-GHMZBOCLSA-N 0 1 255.814 3.666 20 0 CHADMN C[C@H]1CN(Cc2cccc(Cl)c2)C[C@H](C)S1 ZINC000525787067 262238317 /nfs/dbraw/zinc/23/83/17/262238317.db2.gz IAFRBQPNCMWLNG-QWRGUYRKSA-N 0 1 255.814 3.666 20 0 CHADMN CCC[C@@](C)(N)c1nc(-c2cccc3ccccc32)no1 ZINC000054438428 262269461 /nfs/dbraw/zinc/26/94/61/262269461.db2.gz GVORAHJAPZZITK-QGZVFWFLSA-N 0 1 281.359 3.864 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CC[C@H](O)C(C)(C)C1 ZINC000446064146 262269905 /nfs/dbraw/zinc/26/99/05/262269905.db2.gz USKWOKPZUGKQDV-CABCVRRESA-N 0 1 283.362 3.509 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@@H](C)c1cc(F)ccc1F ZINC000221896826 262320153 /nfs/dbraw/zinc/32/01/53/262320153.db2.gz OBNWHEVBQKKZRJ-SFYZADRCSA-N 0 1 267.241 3.956 20 0 CHADMN C[C@@H](NCc1cc(F)cc(F)c1)c1ccc2c(c1)OCO2 ZINC000221876119 262315396 /nfs/dbraw/zinc/31/53/96/262315396.db2.gz WKJWXRYOKSRALY-SNVBAGLBSA-N 0 1 291.297 3.544 20 0 CHADMN CCCOc1cccc(CNCc2occc2C)c1 ZINC000311537512 262338553 /nfs/dbraw/zinc/33/85/53/262338553.db2.gz MNXWOMONVHDFCK-UHFFFAOYSA-N 0 1 259.349 3.667 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H](C)c1cccc(F)c1 ZINC000187037025 262375456 /nfs/dbraw/zinc/37/54/56/262375456.db2.gz OEDRWOMLXOIJFB-NEPJUHHUSA-N 0 1 274.339 3.641 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H](C)c1cccc(F)c1 ZINC000187037008 262375482 /nfs/dbraw/zinc/37/54/82/262375482.db2.gz OEDRWOMLXOIJFB-RYUDHWBXSA-N 0 1 274.339 3.641 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H](C)c1cccc(C)c1 ZINC000187062437 262377553 /nfs/dbraw/zinc/37/75/53/262377553.db2.gz OQOOYSCTQOOAJK-KGLIPLIRSA-N 0 1 270.376 3.810 20 0 CHADMN Cc1csc([C@H](C)N[C@@H]2C=CCCCCC2)n1 ZINC000393959183 262377612 /nfs/dbraw/zinc/37/76/12/262377612.db2.gz OGSVHFFPYGTLDZ-QWHCGFSZSA-N 0 1 250.411 3.991 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(Cl)s2)ccn1 ZINC000391154084 262385239 /nfs/dbraw/zinc/38/52/39/262385239.db2.gz DKZUFCXPJPBBIW-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc(F)cc(F)c2)ccn1 ZINC000391169938 262385301 /nfs/dbraw/zinc/38/53/01/262385301.db2.gz YNCIXFSEWJMITP-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc(F)cc(F)c2)ccn1 ZINC000391169935 262385408 /nfs/dbraw/zinc/38/54/08/262385408.db2.gz YNCIXFSEWJMITP-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN Cc1cc(CNCc2ccccc2OC(F)(F)F)ccn1 ZINC000391185464 262387637 /nfs/dbraw/zinc/38/76/37/262387637.db2.gz LKRLTFYIIZMNQL-UHFFFAOYSA-N 0 1 296.292 3.578 20 0 CHADMN Cc1cnc(CN[C@@H](CC(C)C)c2ccccc2)cn1 ZINC000061320078 262393594 /nfs/dbraw/zinc/39/35/94/262393594.db2.gz DHBVIYGLYRFLBG-KRWDZBQOSA-N 0 1 269.392 3.662 20 0 CHADMN COc1ccc(NC(=O)c2ccc(O)c(Cl)c2)c(C)c1 ZINC000061568541 262398998 /nfs/dbraw/zinc/39/89/98/262398998.db2.gz BBYDQNCJCALLPU-UHFFFAOYSA-N 0 1 291.734 3.615 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cnn3ccccc23)cc1F ZINC000094952394 262483616 /nfs/dbraw/zinc/48/36/16/262483616.db2.gz NWNLOBXXJVUZON-CYBMUJFWSA-N 0 1 283.350 3.633 20 0 CHADMN CSc1cc(C)ccc1NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000413910411 262792449 /nfs/dbraw/zinc/79/24/49/262792449.db2.gz UKSVKSQTVHIKIJ-CHWSQXEVSA-N 0 1 292.448 3.528 20 0 CHADMN C[C@@H](N[C@H](c1cccs1)C1CC1)c1cc2n(n1)CCC2 ZINC000414061522 262798942 /nfs/dbraw/zinc/79/89/42/262798942.db2.gz KIZMRLUNWJZSPU-BZNIZROVSA-N 0 1 287.432 3.693 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2C[C@H]2c2ccccc2F)cs1 ZINC000414174487 262814375 /nfs/dbraw/zinc/81/43/75/262814375.db2.gz XYRLILDOQHGVTF-DUFXMDAXSA-N 0 1 276.380 3.797 20 0 CHADMN CCC[C@H](CCc1ccccc1)N[C@H](C)c1csnn1 ZINC000414308094 262840464 /nfs/dbraw/zinc/84/04/64/262840464.db2.gz SHTOBPCRTNMCPM-UKRRQHHQSA-N 0 1 289.448 3.990 20 0 CHADMN C[C@@H](CCC(C)(C)C)NCc1nnc(C2CC2)s1 ZINC000414335014 262845992 /nfs/dbraw/zinc/84/59/92/262845992.db2.gz XPOFMVOIYZKVPX-JTQLQIEISA-N 0 1 267.442 3.720 20 0 CHADMN Cc1cc(CN[C@@H]2c3ccccc3CC[C@@H]2C(C)C)nn1C ZINC000414440950 262919863 /nfs/dbraw/zinc/91/98/63/262919863.db2.gz ZAQHBIHGQHMYRQ-MJGOQNOKSA-N 0 1 297.446 3.778 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN[C@H](C)c1csnn1 ZINC000414553568 262990769 /nfs/dbraw/zinc/99/07/69/262990769.db2.gz SQWRZAOPCZNGKN-CHWSQXEVSA-N 0 1 267.442 3.961 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1ccc(OC(C)(C)C)nc1 ZINC000272271640 263002897 /nfs/dbraw/zinc/00/28/97/263002897.db2.gz BJTJFYWCQZTWPS-AWEZNQCLSA-N 0 1 299.418 3.813 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN[C@@H]2C[C@H]2c2ccco2)o1 ZINC000414599141 263004616 /nfs/dbraw/zinc/00/46/16/263004616.db2.gz ZHJUTMBKPOYDLN-SCUASFONSA-N 0 1 257.333 3.642 20 0 CHADMN COCC[C@H](N[C@@H](C)c1sc(C)nc1C)c1ccco1 ZINC000272553877 263006607 /nfs/dbraw/zinc/00/66/07/263006607.db2.gz MORLNKBYDQCDGF-AAEUAGOBSA-N 0 1 294.420 3.781 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000414611882 263009493 /nfs/dbraw/zinc/00/94/93/263009493.db2.gz CYUULQGVWAFGJG-BBBLOLIVSA-N 0 1 291.317 3.562 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2coc3cc(F)ccc23)n1 ZINC000414611721 263009604 /nfs/dbraw/zinc/00/96/04/263009604.db2.gz COXZNOMVPRVZFJ-GFCCVEGCSA-N 0 1 289.310 3.668 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1c1nc([C@H](N)CC(C)C)no1 ZINC000414614676 263010144 /nfs/dbraw/zinc/01/01/44/263010144.db2.gz HJZNNCAMABVVNL-FRRDWIJNSA-N 0 1 265.401 3.799 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H](C)CC(C)(C)C)n1 ZINC000414620980 263013286 /nfs/dbraw/zinc/01/32/86/263013286.db2.gz QMYIMJRBZDUZJP-GHMZBOCLSA-N 0 1 253.390 3.655 20 0 CHADMN C[C@H](CCCc1ccccc1)c1nc(C2(N)CCCC2)no1 ZINC000414620115 263013334 /nfs/dbraw/zinc/01/33/34/263013334.db2.gz POKAXZPFOSDXNC-CQSZACIVSA-N 0 1 299.418 3.924 20 0 CHADMN CCCC(CCC)c1nc([C@@H](N)CC(C)C)no1 ZINC000414621612 263014007 /nfs/dbraw/zinc/01/40/07/263014007.db2.gz RLCWFXLGNHYIAS-LBPRGKRZSA-N 0 1 253.390 3.799 20 0 CHADMN CC(C)(C)c1ccc(-c2nc(C3(N)CCCC3)no2)s1 ZINC000414625071 263015020 /nfs/dbraw/zinc/01/50/20/263015020.db2.gz IAEMJBCCFGBHIN-UHFFFAOYSA-N 0 1 291.420 3.824 20 0 CHADMN CC(C)C[C@H](N)c1noc(C2CCC(C)(C)CC2)n1 ZINC000414624937 263015085 /nfs/dbraw/zinc/01/50/85/263015085.db2.gz WKCIJOSDGGWSTP-LBPRGKRZSA-N 0 1 265.401 3.799 20 0 CHADMN CCSc1ccc(-c2nc([C@H](N)CC(C)C)no2)cc1 ZINC000414625886 263016165 /nfs/dbraw/zinc/01/61/65/263016165.db2.gz XEWXNCXCWUUNBL-CYBMUJFWSA-N 0 1 291.420 3.895 20 0 CHADMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@@H](C)c1cccc(Cl)c1 ZINC000414680155 263031028 /nfs/dbraw/zinc/03/10/28/263031028.db2.gz KSZIMMLRJYNQPL-VXGBXAGGSA-N 0 1 283.799 3.629 20 0 CHADMN CC[C@H](CN(CC)Cc1nnc(C)s1)c1ccccc1 ZINC000274925332 263031707 /nfs/dbraw/zinc/03/17/07/263031707.db2.gz VYAXORIGEDVGTG-CQSZACIVSA-N 0 1 289.448 3.862 20 0 CHADMN COCc1cccc(CN[C@H](C)c2ccc(Cl)cn2)c1 ZINC000274933488 263031736 /nfs/dbraw/zinc/03/17/36/263031736.db2.gz RISLISULCWMKRG-GFCCVEGCSA-N 0 1 290.794 3.732 20 0 CHADMN Cc1nnc([C@H](C)N[C@H](C)Cc2cccc(Cl)c2)s1 ZINC000282691902 263078043 /nfs/dbraw/zinc/07/80/43/263078043.db2.gz PJDSLOYNBMRFMT-ZJUUUORDSA-N 0 1 295.839 3.782 20 0 CHADMN C[C@@H](NCCSC(C)(C)C)c1c(F)cncc1F ZINC000285499816 263093440 /nfs/dbraw/zinc/09/34/40/263093440.db2.gz CUNMDVFSEGTMNQ-SECBINFHSA-N 0 1 274.380 3.542 20 0 CHADMN CC[C@H](N[C@@H](C)c1cc(C)ccn1)c1ccncc1 ZINC000285991174 263096790 /nfs/dbraw/zinc/09/67/90/263096790.db2.gz ICKSIUCJKZLWGQ-ZFWWWQNUSA-N 0 1 255.365 3.587 20 0 CHADMN Cc1cc([C@H](C)NCc2cnc([C@H](C)O)s2)c(C)s1 ZINC000289308447 263108880 /nfs/dbraw/zinc/10/88/80/263108880.db2.gz RTRWCNXKSQTWIB-UWVGGRQHSA-N 0 1 296.461 3.726 20 0 CHADMN Cc1ccoc1CNCc1ccc2c(c1)COC(C)(C)O2 ZINC000292712485 263134005 /nfs/dbraw/zinc/13/40/05/263134005.db2.gz DKGDTTUAMQVCFC-UHFFFAOYSA-N 0 1 287.359 3.523 20 0 CHADMN CCCc1ccc([C@@H](C)NCc2cnccc2OC)cc1 ZINC000293998908 263153930 /nfs/dbraw/zinc/15/39/30/263153930.db2.gz CNOHYGMWYGVBDV-CQSZACIVSA-N 0 1 284.403 3.894 20 0 CHADMN Cc1cccc(OCCCN[C@@H]2C[C@H](C)n3ccnc32)c1C ZINC000296579652 263193332 /nfs/dbraw/zinc/19/33/32/263193332.db2.gz VVSDFKKIZAWPRI-GOEBONIOSA-N 0 1 299.418 3.564 20 0 CHADMN COc1ccc([C@H](N[C@H](C)c2nccnc2C)C(C)C)cc1 ZINC000187711875 263267321 /nfs/dbraw/zinc/26/73/21/263267321.db2.gz CFFJGOPUTLGVKM-RHSMWYFYSA-N 0 1 299.418 3.842 20 0 CHADMN CC(C)OCCN[C@@H](C)c1ccc(F)cc1Cl ZINC000164102256 263268240 /nfs/dbraw/zinc/26/82/40/263268240.db2.gz DWTAYDVQDBUTOZ-JTQLQIEISA-N 0 1 259.752 3.555 20 0 CHADMN CC[C@H](N[C@H](C)c1nccnc1C)c1cccs1 ZINC000187848287 263271612 /nfs/dbraw/zinc/27/16/12/263271612.db2.gz FSVGAUMILUHEFR-NEPJUHHUSA-N 0 1 261.394 3.648 20 0 CHADMN CC1(C)CC[C@H](CN[C@H](c2ccccc2)c2ccccn2)O1 ZINC000187860189 263279208 /nfs/dbraw/zinc/27/92/08/263279208.db2.gz FGBHQKCIDHLSBE-SJLPKXTDSA-N 0 1 296.414 3.718 20 0 CHADMN CC[C@@H](C)CN(C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000171952555 335086544 /nfs/dbraw/zinc/08/65/44/335086544.db2.gz YFQUODXUQKDKAN-LLVKDONJSA-N 0 1 296.842 3.873 20 0 CHADMN COc1ncccc1CN[C@@H]1CCc2ccc(Cl)cc21 ZINC000343092517 263581068 /nfs/dbraw/zinc/58/10/68/263581068.db2.gz RHWRQPBDOGUOBG-OAHLLOKOSA-N 0 1 288.778 3.521 20 0 CHADMN C[C@H](N[C@H]1CCC(C)(C)c2ccccc21)c1ccc(=O)[nH]n1 ZINC000334406617 263614782 /nfs/dbraw/zinc/61/47/82/263614782.db2.gz KCEGYQWAVSUILY-LRDDRELGSA-N 0 1 297.402 3.646 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H]2CCCC[C@@H]2C)c1 ZINC000424841812 263826252 /nfs/dbraw/zinc/82/62/52/263826252.db2.gz ZZWAWKXSMHWMHI-AAEUAGOBSA-N 0 1 289.375 3.750 20 0 CHADMN CS[C@@H]1CC[C@H]1N[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000425337033 264012528 /nfs/dbraw/zinc/01/25/28/264012528.db2.gz MHTAELRYSBCBDM-NXHRZFHOSA-N 0 1 298.455 3.963 20 0 CHADMN C[C@@H]1CCN(Cc2cnc([C@H]3CCCO3)s2)[C@H](C)C1 ZINC000425358387 264070127 /nfs/dbraw/zinc/07/01/27/264070127.db2.gz QOBFHLNNYXETHZ-YRGRVCCFSA-N 0 1 280.437 3.615 20 0 CHADMN C[C@@H](CN1CC(CC(F)F)C1)c1cc(F)cc(F)c1 ZINC000425363127 264135857 /nfs/dbraw/zinc/13/58/57/264135857.db2.gz AXHGQBVGAWFQKY-VIFPVBQESA-N 0 1 275.289 3.655 20 0 CHADMN Cc1c[nH]nc1CN1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000425374858 264204055 /nfs/dbraw/zinc/20/40/55/264204055.db2.gz SWUVFXOCNTYSPJ-MRXNPFEDSA-N 0 1 269.392 3.691 20 0 CHADMN CC(C)Oc1cccc(CN2CC(CC(F)F)C2)c1 ZINC000425369330 264213196 /nfs/dbraw/zinc/21/31/96/264213196.db2.gz ZYYINFYKUCFIDO-UHFFFAOYSA-N 0 1 269.335 3.561 20 0 CHADMN FC(F)CC1CN(Cc2cc3ccccc3o2)C1 ZINC000425369019 264213302 /nfs/dbraw/zinc/21/33/02/264213302.db2.gz YWXGOBNOUFZHNE-UHFFFAOYSA-N 0 1 251.276 3.520 20 0 CHADMN CO[C@@H](CN(Cc1ccco1)Cc1ccccc1)C1CC1 ZINC000425386069 264220566 /nfs/dbraw/zinc/22/05/66/264220566.db2.gz RCLOJXBITBVOCG-SFHVURJKSA-N 0 1 285.387 3.707 20 0 CHADMN CCOC1CC2(C1)CCN(Cc1c(F)cc(C)cc1F)C2 ZINC000425387726 264221582 /nfs/dbraw/zinc/22/15/82/264221582.db2.gz VOFMZUIDUVGHJO-UHFFFAOYSA-N 0 1 295.373 3.664 20 0 CHADMN CC(C)(C)CCNCc1cc(COC(C)(C)C)on1 ZINC000188572360 264224519 /nfs/dbraw/zinc/22/45/19/264224519.db2.gz GJHLYSWBWNFAKP-UHFFFAOYSA-N 0 1 268.401 3.516 20 0 CHADMN CCOc1c(Cl)cccc1CN1CCSC[C@@H](C)C1 ZINC000425959357 264227295 /nfs/dbraw/zinc/22/72/95/264227295.db2.gz JWPXWJUVFXBQAK-LBPRGKRZSA-N 0 1 299.867 3.924 20 0 CHADMN C[C@H](N[C@@H](C)[C@@H]1CC1(C)C)c1nc(Cc2ccccc2)no1 ZINC000425965887 264238001 /nfs/dbraw/zinc/23/80/01/264238001.db2.gz VDVLRVMUWVGTLW-YDHLFZDLSA-N 0 1 299.418 3.746 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCCC3(C)C)n[nH]2)c(C)c1 ZINC000189105259 264267672 /nfs/dbraw/zinc/26/76/72/264267672.db2.gz RCGWCSKSZGSGBV-UHFFFAOYSA-N 0 1 297.402 3.708 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1nc(-c2ccccc2F)no1 ZINC000189019587 264268786 /nfs/dbraw/zinc/26/87/86/264268786.db2.gz JVAXQPMEJKAIKS-TXEJJXNPSA-N 0 1 289.354 3.639 20 0 CHADMN C[C@H](C[N@@H+](C)[C@H](C)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000251096372 264270701 /nfs/dbraw/zinc/27/07/01/264270701.db2.gz LPUQWFXQTARWSO-RKDXNWHRSA-N 0 1 290.190 3.707 20 0 CHADMN CC(C)COC[C@@H](NC1CC(OC(C)C)C1)c1ccco1 ZINC000189528527 264306973 /nfs/dbraw/zinc/30/69/73/264306973.db2.gz CFTMSLLBQBMNAP-UYSNPLJNSA-N 0 1 295.423 3.539 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](C)c2cc3ccc(C)cc3o2)n[nH]1 ZINC000426015112 264309324 /nfs/dbraw/zinc/30/93/24/264309324.db2.gz FJNHLKKJYPTXPW-RYUDHWBXSA-N 0 1 298.390 3.834 20 0 CHADMN C[C@H](NCc1nc(C(F)F)no1)[C@@H](C)C1CCCCC1 ZINC000425431748 264321400 /nfs/dbraw/zinc/32/14/00/264321400.db2.gz IXWHTIBRPIKYQS-ZJUUUORDSA-N 0 1 287.354 3.702 20 0 CHADMN Cc1ccc2cc(CN3C[C@H](C)OC(C)(C)C3)ccc2n1 ZINC000189792442 264326506 /nfs/dbraw/zinc/32/65/06/264326506.db2.gz CMGJYTQTKFUULE-AWEZNQCLSA-N 0 1 284.403 3.543 20 0 CHADMN Cc1cncc(CN2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000189801070 264326710 /nfs/dbraw/zinc/32/67/10/264326710.db2.gz KEQWYLWPOKUDTO-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN CC[C@H]1CN(Cc2ccc3nc(C)ccc3c2)C[C@H](C)O1 ZINC000189800058 264326721 /nfs/dbraw/zinc/32/67/21/264326721.db2.gz OLTMZXWUINZOQV-YOEHRIQHSA-N 0 1 284.403 3.543 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1Cl)N(C)CC1(CO)CC1 ZINC000190020675 264345961 /nfs/dbraw/zinc/34/59/61/264345961.db2.gz VYQDKLBEBAHWHB-JTQLQIEISA-N 0 1 288.218 3.759 20 0 CHADMN CC(C)[N@H+](CC(=O)[O-])CC1CCC(C(C)(C)C)CC1 ZINC000130289028 264347977 /nfs/dbraw/zinc/34/79/77/264347977.db2.gz GVIPFDBAUHXDSU-UHFFFAOYSA-N 0 1 269.429 3.634 20 0 CHADMN CCC[N@H+](CC(=O)[O-])CC1CCC(C(C)(C)C)CC1 ZINC000130293882 264348038 /nfs/dbraw/zinc/34/80/38/264348038.db2.gz ACLIHNPYVAUFEQ-UHFFFAOYSA-N 0 1 269.429 3.636 20 0 CHADMN CN(Cc1nc(C(F)F)no1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000425478447 264348312 /nfs/dbraw/zinc/34/83/12/264348312.db2.gz PDQHKDYAWCXCEQ-NXEZZACHSA-N 0 1 287.354 3.654 20 0 CHADMN CC[C@H]1CCCC[C@@H]1NCc1nc(C2CCCC2)no1 ZINC000163362789 264351589 /nfs/dbraw/zinc/35/15/89/264351589.db2.gz LZXYRSHFGYQYPX-JSGCOSHPSA-N 0 1 277.412 3.786 20 0 CHADMN CCN(Cc1cn(C(C)C)nc1C)Cc1cccc(F)c1 ZINC000343580296 265046071 /nfs/dbraw/zinc/04/60/71/265046071.db2.gz VZRRIOQFAHKNGX-UHFFFAOYSA-N 0 1 289.398 3.934 20 0 CHADMN CC(C)N(C)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000093928211 265201854 /nfs/dbraw/zinc/20/18/54/265201854.db2.gz FXDKYCFCYRSKAC-UHFFFAOYSA-N 0 1 277.751 3.679 20 0 CHADMN O=C(c1cnc[nH]1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000335803564 265210674 /nfs/dbraw/zinc/21/06/74/265210674.db2.gz AYPPQMCTHMCXGX-OFAQMXQXSA-N 0 1 295.386 3.508 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3c(c2)CCC3)o1 ZINC000350098018 265222974 /nfs/dbraw/zinc/22/29/74/265222974.db2.gz JUTWZHHBNPDKIV-UHFFFAOYSA-N 0 1 255.361 3.709 20 0 CHADMN C[C@H](N)c1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000011631712 265299461 /nfs/dbraw/zinc/29/94/61/265299461.db2.gz MKQZAJNWNFPJGA-JTQLQIEISA-N 0 1 258.390 3.709 20 0 CHADMN CC[C@H](OC1CCCC1)c1nc(C2(N)CCCCC2)no1 ZINC000519139721 265329527 /nfs/dbraw/zinc/32/95/27/265329527.db2.gz PFPIQOVOGUINNW-ZDUSSCGKSA-N 0 1 293.411 3.598 20 0 CHADMN Cc1ccsc1CN(C)Cc1ccc(F)c(F)c1 ZINC000096954354 265395462 /nfs/dbraw/zinc/39/54/62/265395462.db2.gz WEMZWGVCTXGOGV-UHFFFAOYSA-N 0 1 267.344 3.967 20 0 CHADMN C[C@H](c1ccccc1F)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000352440273 265961002 /nfs/dbraw/zinc/96/10/02/265961002.db2.gz MXKHODAOPYCHHS-COXVUDFISA-N 0 1 289.394 3.920 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@H]3CCC(C)(C)C3)[nH]c2c1 ZINC000514662683 266032052 /nfs/dbraw/zinc/03/20/52/266032052.db2.gz LSDPDVJNURHQTP-NSHDSACASA-N 0 1 271.364 3.636 20 0 CHADMN Cc1oc2ccccc2c1CN1CCO[C@H](C(C)C)C1 ZINC000353165788 266035624 /nfs/dbraw/zinc/03/56/24/266035624.db2.gz VFYLFTCXJPHBNQ-KRWDZBQOSA-N 0 1 273.376 3.598 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1cc(F)cc(F)c1 ZINC000356277303 266085193 /nfs/dbraw/zinc/08/51/93/266085193.db2.gz UXVBYIRLYXISCL-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN Fc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)cc1F ZINC000356286925 266088449 /nfs/dbraw/zinc/08/84/49/266088449.db2.gz SCVVWJUJEJXBNE-HNNXBMFYSA-N 0 1 263.331 3.729 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](C)[C@H]2Oc3ccccc3[C@H]2C)o1 ZINC000356292592 266088501 /nfs/dbraw/zinc/08/85/01/266088501.db2.gz WOKFZMYYYMAJGN-FOCJUVANSA-N 0 1 286.375 3.587 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)o1 ZINC000356292595 266088718 /nfs/dbraw/zinc/08/87/18/266088718.db2.gz WOKFZMYYYMAJGN-NFFDBFGFSA-N 0 1 286.375 3.587 20 0 CHADMN CC(C)CC1(C)CCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC000356457987 266118438 /nfs/dbraw/zinc/11/84/38/266118438.db2.gz RUMPICXCEQPBMD-UHFFFAOYSA-N 0 1 299.418 3.851 20 0 CHADMN Cc1ccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1F ZINC000356517105 266129745 /nfs/dbraw/zinc/12/97/45/266129745.db2.gz BYUKGCGDAJFCBY-IRXDYDNUSA-N 0 1 289.394 3.668 20 0 CHADMN C[C@@H]1C[C@H](CNc2ccnc3cc(F)ccc32)CCO1 ZINC000356801782 266177364 /nfs/dbraw/zinc/17/73/64/266177364.db2.gz XBLQKRMHLQKGAK-VXGBXAGGSA-N 0 1 274.339 3.601 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@H](CCCO)c1ccccc1 ZINC000356846820 266187837 /nfs/dbraw/zinc/18/78/37/266187837.db2.gz JBJTVIBHKPAVOK-MAUKXSAKSA-N 0 1 298.430 3.808 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@H](c1cccnc1)C1CC1 ZINC000356852328 266191000 /nfs/dbraw/zinc/19/10/00/266191000.db2.gz RJPNYAGHXHWUAZ-ACJLOTCBSA-N 0 1 281.403 3.841 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccccc1COC ZINC000356879382 266202132 /nfs/dbraw/zinc/20/21/32/266202132.db2.gz SVNQMBVLUSYOTN-AWEZNQCLSA-N 0 1 284.403 3.641 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@H]1CCCc2occc21 ZINC000356908449 266209618 /nfs/dbraw/zinc/20/96/18/266209618.db2.gz XRXRIRUTUYGMSD-WFASDCNBSA-N 0 1 270.376 3.965 20 0 CHADMN CCc1ccc(C2=CCN(Cc3cnn(CC)c3)CC2)cc1 ZINC000356953851 266216540 /nfs/dbraw/zinc/21/65/40/266216540.db2.gz BAYUXSQJAWVOMR-UHFFFAOYSA-N 0 1 295.430 3.755 20 0 CHADMN CC[C@@]1(C)C[C@@H]1c1nc(Cc2nc3cccc(C)c3[nH]2)no1 ZINC000356956270 266218396 /nfs/dbraw/zinc/21/83/96/266218396.db2.gz YYTVRVBNRFTEPA-DIFFPNOSSA-N 0 1 296.374 3.749 20 0 CHADMN COc1ccc(CCCN(C)[C@@H](C)c2ncc(C)o2)cc1 ZINC000356974140 266223390 /nfs/dbraw/zinc/22/33/90/266223390.db2.gz AHQYMVJMOQOPOX-AWEZNQCLSA-N 0 1 288.391 3.617 20 0 CHADMN C[C@H](C1CCC1)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000357009495 266231433 /nfs/dbraw/zinc/23/14/33/266231433.db2.gz JWEXPIAIDKZCNR-MRVPVSSYSA-N 0 1 278.343 3.782 20 0 CHADMN C[C@@H](C1CCC1)N(C)Cc1nccn1Cc1ccccc1 ZINC000357028136 266234784 /nfs/dbraw/zinc/23/47/84/266234784.db2.gz BMODRVBLBUNRPZ-HNNXBMFYSA-N 0 1 283.419 3.552 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cc(C)sc1C)CC2 ZINC000357474023 266304875 /nfs/dbraw/zinc/30/48/75/266304875.db2.gz UXJAMNCMWDSDNU-UHFFFAOYSA-N 0 1 287.428 3.932 20 0 CHADMN Cc1nc(CN2CCC[C@@]3(CC=CCC3)C2)oc1C ZINC000114495244 266309311 /nfs/dbraw/zinc/30/93/11/266309311.db2.gz YEJQDVQLQATVOU-INIZCTEOSA-N 0 1 260.381 3.614 20 0 CHADMN CC(C)(C(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1F ZINC000357641970 266338845 /nfs/dbraw/zinc/33/88/45/266338845.db2.gz QGCPSYABGXJDSV-UHFFFAOYSA-N 0 1 297.333 3.618 20 0 CHADMN CSCCCN(Cc1ccc(F)cc1F)C1CC1 ZINC000357673574 266344966 /nfs/dbraw/zinc/34/49/66/266344966.db2.gz GMGZFINYQVQASA-UHFFFAOYSA-N 0 1 271.376 3.682 20 0 CHADMN COc1cc2c(cc1F)nccc2N(C)CCCSC ZINC000357681027 266346491 /nfs/dbraw/zinc/34/64/91/266346491.db2.gz NOSJGRYITSIYLJ-UHFFFAOYSA-N 0 1 294.395 3.572 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CCC[C@@H](C)[C@@H]1C ZINC000357732321 266352942 /nfs/dbraw/zinc/35/29/42/266352942.db2.gz OMABGNUVVCKUKS-OLZOCXBDSA-N 0 1 289.398 3.816 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@H](c3ccccc3)[C@@H](C)C2)o1 ZINC000357769040 266357964 /nfs/dbraw/zinc/35/79/64/266357964.db2.gz ZXUUTXTWYUADSU-DZKIICNBSA-N 0 1 299.418 3.819 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@@H](C)c1cncc(F)c1)CC2 ZINC000359246715 266554431 /nfs/dbraw/zinc/55/44/31/266554431.db2.gz TUHINSXGMQPESR-APPDUMDISA-N 0 1 286.350 3.567 20 0 CHADMN CCc1cnc(CNC[C@H]2CCC3(CCCCC3)O2)s1 ZINC000359821407 266642909 /nfs/dbraw/zinc/64/29/09/266642909.db2.gz WJVDJVAFJQKEMV-CYBMUJFWSA-N 0 1 294.464 3.677 20 0 CHADMN O=C(Nc1cccc(C2CCC2)c1)c1ccc2cncn2c1 ZINC000360896300 266753011 /nfs/dbraw/zinc/75/30/11/266753011.db2.gz PSUINIUCABMAFS-UHFFFAOYSA-N 0 1 291.354 3.854 20 0 CHADMN CSc1ccc(CNCc2cn(C(C)C)nc2C)cc1 ZINC000361892897 266900095 /nfs/dbraw/zinc/90/00/95/266900095.db2.gz HKLKRIGAZYIHDO-UHFFFAOYSA-N 0 1 289.448 3.784 20 0 CHADMN CCOc1c(Cl)cccc1CNc1cc(OC)ccn1 ZINC000362649274 267029675 /nfs/dbraw/zinc/02/96/75/267029675.db2.gz PLWGNWHQSNFXDT-UHFFFAOYSA-N 0 1 292.766 3.754 20 0 CHADMN C[C@H](NCc1ccncc1F)c1ccc(C2CC2)cc1 ZINC000418113900 267077634 /nfs/dbraw/zinc/07/76/34/267077634.db2.gz KMDVLPGERVQBCD-LBPRGKRZSA-N 0 1 270.351 3.949 20 0 CHADMN C[C@H](NCc1cncc(F)c1)c1ccc(C2CC2)cc1 ZINC000418115082 267083496 /nfs/dbraw/zinc/08/34/96/267083496.db2.gz NQNVTVYRJVZRRS-LBPRGKRZSA-N 0 1 270.351 3.949 20 0 CHADMN c1cc(CN2[C@@H]3CC[C@H]2CC(Cc2ccccc2)C3)no1 ZINC000367578977 267101086 /nfs/dbraw/zinc/10/10/86/267101086.db2.gz XLFPPOPGQSGCBV-ZNXRZULTSA-N 0 1 282.387 3.660 20 0 CHADMN Cc1c2cc(F)ccc2oc1CN[C@H]1CCCc2n[nH]cc21 ZINC000367727739 267113716 /nfs/dbraw/zinc/11/37/16/267113716.db2.gz QHWOTDBHFYJXBW-AWEZNQCLSA-N 0 1 299.349 3.771 20 0 CHADMN c1c[nH]c([C@@H](NCCOC2CCCC2)C2CCCCC2)n1 ZINC000367743005 267114598 /nfs/dbraw/zinc/11/45/98/267114598.db2.gz YFZNEJHNOZKQRQ-INIZCTEOSA-N 0 1 291.439 3.580 20 0 CHADMN CN(C)c1cccc([C@H]2CCCN2Cc2cncc(F)c2)c1 ZINC000368495446 267177348 /nfs/dbraw/zinc/17/73/48/267177348.db2.gz VDQQRZJIMHSVMY-GOSISDBHSA-N 0 1 299.393 3.624 20 0 CHADMN Clc1ccccc1CN1CCC[C@H](c2ccncn2)C1 ZINC000368756655 267201833 /nfs/dbraw/zinc/20/18/33/267201833.db2.gz SUZIHUAYRQVQMD-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN O=C(Nc1cccc2c1CN(C1CC1)C2)C1CCCCC1 ZINC000369852519 267272281 /nfs/dbraw/zinc/27/22/81/267272281.db2.gz NFRPMZJFBNNHFR-UHFFFAOYSA-N 0 1 284.403 3.683 20 0 CHADMN Cc1ncsc1CNCc1cccn1CCC(C)C ZINC000119107241 267301151 /nfs/dbraw/zinc/30/11/51/267301151.db2.gz WKHKRTFXNVUYNL-UHFFFAOYSA-N 0 1 277.437 3.589 20 0 CHADMN COc1cccc2c1OCC[C@H]2N[C@@H](C)c1cccc(O)c1 ZINC000370636829 267333538 /nfs/dbraw/zinc/33/35/38/267333538.db2.gz SDWNXZVRPIUNEI-BLLLJJGKSA-N 0 1 299.370 3.575 20 0 CHADMN Cc1ncccc1CN1CCc2sccc2[C@H]1C ZINC000371392742 267399450 /nfs/dbraw/zinc/39/94/50/267399450.db2.gz RTPLSGPUHXQCHL-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1cnn(C)c1)c1ccc(F)cc1F ZINC000120824789 267515288 /nfs/dbraw/zinc/51/52/88/267515288.db2.gz YFZUMFVRBVYROP-BZNIZROVSA-N 0 1 293.361 3.746 20 0 CHADMN CCS[C@H](C)c1noc(CN(CC)C2CCCC2)n1 ZINC000121397734 267635517 /nfs/dbraw/zinc/63/55/17/267635517.db2.gz PSWFEYWLJSVEOQ-LLVKDONJSA-N 0 1 283.441 3.648 20 0 CHADMN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(C)[nH]n1 ZINC000123105265 268000057 /nfs/dbraw/zinc/00/00/57/268000057.db2.gz SNKXSFWGOVBDNZ-NVXWUHKLSA-N 0 1 297.402 3.517 20 0 CHADMN Fc1ccc(-c2cnc(CN3CCC4(CCC4)C3)o2)cc1 ZINC000123114352 268000147 /nfs/dbraw/zinc/00/01/47/268000147.db2.gz JMMZPGJKDKOZNO-UHFFFAOYSA-N 0 1 286.350 3.857 20 0 CHADMN CCS[C@@H](C)c1noc(CN(CC)[C@@H](C)C(C)C)n1 ZINC000123107717 268000191 /nfs/dbraw/zinc/00/01/91/268000191.db2.gz KXQSSPJQCZRHJO-RYUDHWBXSA-N 0 1 285.457 3.750 20 0 CHADMN CC(C)OCCCN1CCCn2c(cc3ccccc32)C1 ZINC000376854064 268024393 /nfs/dbraw/zinc/02/43/93/268024393.db2.gz AHAIBJPPNNWJSS-UHFFFAOYSA-N 0 1 286.419 3.662 20 0 CHADMN CC(C)(C)c1csc(CN2CCC3(CCC3)C2)n1 ZINC000123322501 268036462 /nfs/dbraw/zinc/03/64/62/268036462.db2.gz PBVQNMZOKLIMJW-UHFFFAOYSA-N 0 1 264.438 3.817 20 0 CHADMN C[C@H](CC(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000352630504 533688039 /nfs/dbraw/zinc/68/80/39/533688039.db2.gz PCPCFAYZWHDQHW-GFCCVEGCSA-N 0 1 279.343 3.695 20 0 CHADMN CC(C)OCCCN(C)Cc1cnc(C(C)C)s1 ZINC000353698527 527935336 /nfs/dbraw/zinc/93/53/36/527935336.db2.gz MXXYMGAIJIDWEA-UHFFFAOYSA-N 0 1 270.442 3.513 20 0 CHADMN Cc1noc([C@H](C)N[C@H]2CC[C@@](C)(c3ccccc3)C2)n1 ZINC000570795748 327619743 /nfs/dbraw/zinc/61/97/43/327619743.db2.gz ASUWCOUSYCETDQ-YLQAJVPDSA-N 0 1 285.391 3.539 20 0 CHADMN Cc1cccc([C@H](NCc2ccc(CO)o2)C(C)(C)C)c1 ZINC000178614183 327795248 /nfs/dbraw/zinc/79/52/48/327795248.db2.gz GBYIEDOPUXXZDI-KRWDZBQOSA-N 0 1 287.403 3.957 20 0 CHADMN Cc1cnc(CN[C@@H]2c3cc(C)ccc3C[C@H]2C)s1 ZINC000180644876 327806703 /nfs/dbraw/zinc/80/67/03/327806703.db2.gz JJNVCGXBENWOGH-BZNIZROVSA-N 0 1 272.417 3.783 20 0 CHADMN Cc1cnc(CN[C@H]2c3cc(C)ccc3C[C@@H]2C)s1 ZINC000180644894 327806753 /nfs/dbraw/zinc/80/67/53/327806753.db2.gz JJNVCGXBENWOGH-MEDUHNTESA-N 0 1 272.417 3.783 20 0 CHADMN C[C@H]1CCCC[C@H]1C[NH2+]Cc1c(F)ccc([O-])c1F ZINC000510177431 327962091 /nfs/dbraw/zinc/96/20/91/327962091.db2.gz SYEZFSFCCSLJCX-QWRGUYRKSA-N 0 1 269.335 3.586 20 0 CHADMN Cc1cc(F)ccc1CN[C@@H](CO)c1ccc(Cl)cc1 ZINC000570965822 327967545 /nfs/dbraw/zinc/96/75/45/327967545.db2.gz PUVFMFFNJIODGN-INIZCTEOSA-N 0 1 293.769 3.611 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCCCCC(=O)[O-])C1 ZINC000563284099 328008518 /nfs/dbraw/zinc/00/85/18/328008518.db2.gz QZERRFYMXBAFBP-HZPDHXFCSA-N 0 1 289.419 3.818 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@@H](c1ccccc1F)[C@@H](C)O ZINC000563264196 328003847 /nfs/dbraw/zinc/00/38/47/328003847.db2.gz OTGFRJUJQDTXHU-PMUMKWKESA-N 0 1 287.378 3.907 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000563277904 328006614 /nfs/dbraw/zinc/00/66/14/328006614.db2.gz PCTUQUJGWJFASR-HNNXBMFYSA-N 0 1 285.343 3.623 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCCCC[C@@H]2c2ccco2)c1 ZINC000563278209 328006653 /nfs/dbraw/zinc/00/66/53/328006653.db2.gz SHPGOZMHFFTACU-CQSZACIVSA-N 0 1 289.331 3.688 20 0 CHADMN CCCC(C)(C)Cc1nc(-c2ccn3cncc3c2)no1 ZINC000563306367 328011528 /nfs/dbraw/zinc/01/15/28/328011528.db2.gz CNCUCFAKJPEBAI-UHFFFAOYSA-N 0 1 284.363 3.753 20 0 CHADMN Cc1cccc(CN[C@@H]2CCc3c2cccc3Cl)n1 ZINC000531684109 328020950 /nfs/dbraw/zinc/02/09/50/328020950.db2.gz TWWWMUDTCRMQRN-MRXNPFEDSA-N 0 1 272.779 3.821 20 0 CHADMN CO[C@@H](C)c1nc(CN[C@@H](C)Cc2ccsc2)cs1 ZINC000531725886 328023857 /nfs/dbraw/zinc/02/38/57/328023857.db2.gz DUPXXFRKZGZPKL-QWRGUYRKSA-N 0 1 296.461 3.633 20 0 CHADMN Cc1ccccc1[C@H](CO)N[C@H](C)c1ccc(F)c(F)c1 ZINC000531738597 328029313 /nfs/dbraw/zinc/02/93/13/328029313.db2.gz FYFAXSKNSZKRAM-PXAZEXFGSA-N 0 1 291.341 3.657 20 0 CHADMN CCc1nc(NC(=O)c2cc(Cl)ccc2O)sc1C ZINC000048045930 328037548 /nfs/dbraw/zinc/03/75/48/328037548.db2.gz WBFNZZSLBZKHRF-UHFFFAOYSA-N 0 1 296.779 3.625 20 0 CHADMN COc1ccccc1CN(C)Cc1ccnc2ccccc12 ZINC000534327661 328045920 /nfs/dbraw/zinc/04/59/20/328045920.db2.gz AUSHDELKNMFSGN-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN CC(C)Cc1ncc(CN2CCC(OC(C)C)CC2)s1 ZINC000534343441 328046899 /nfs/dbraw/zinc/04/68/99/328046899.db2.gz SQRBDMWFLLGTQS-UHFFFAOYSA-N 0 1 296.480 3.731 20 0 CHADMN Fc1ccc(CN2C3CCC2CC3)c(C(F)(F)F)c1 ZINC000534333804 328048527 /nfs/dbraw/zinc/04/85/27/328048527.db2.gz KGDCCIVFEVKIOD-UHFFFAOYSA-N 0 1 273.273 3.971 20 0 CHADMN Cc1ccccc1CN(Cc1cnn2ccccc12)C1CC1 ZINC000534334205 328048677 /nfs/dbraw/zinc/04/86/77/328048677.db2.gz PRZFVLWAROQLAT-UHFFFAOYSA-N 0 1 291.398 3.807 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000534381036 328050128 /nfs/dbraw/zinc/05/01/28/328050128.db2.gz ROTCZJJJXPNNNA-WFASDCNBSA-N 0 1 295.373 3.774 20 0 CHADMN Cc1ccc2oc(CNCc3cnn(C(C)(C)C)c3)cc2c1 ZINC000563444996 328067315 /nfs/dbraw/zinc/06/73/15/328067315.db2.gz UUKIEWXWKLDROH-UHFFFAOYSA-N 0 1 297.402 3.983 20 0 CHADMN C[C@@H]1CCC[C@@H](CC[N@@H+]2[C@H](C)[C@H](C(=O)[O-])CC[C@@H]2C)C1 ZINC000563454769 328067554 /nfs/dbraw/zinc/06/75/54/328067554.db2.gz HMWCXQULKQQREC-DGADGQDISA-N 0 1 281.440 3.776 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CCSC(C)C)CC(=O)[O-] ZINC000567409086 328070451 /nfs/dbraw/zinc/07/04/51/328070451.db2.gz QHFJUPYHRCBXMI-OAHLLOKOSA-N 0 1 295.448 3.666 20 0 CHADMN C[C@H]1CC(NCc2noc(-c3cccs3)n2)C[C@H](C)C1 ZINC000563506184 328070553 /nfs/dbraw/zinc/07/05/53/328070553.db2.gz DGWBSVVFGDYCNY-GHMZBOCLSA-N 0 1 291.420 3.712 20 0 CHADMN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000563510317 328070781 /nfs/dbraw/zinc/07/07/81/328070781.db2.gz KLKMHYQXUQXXMW-DOPJRALCSA-N 0 1 298.386 3.702 20 0 CHADMN O=C([O-])CCC[N@H+](Cc1ccccc1)CC1CCCCC1 ZINC000571338150 328111529 /nfs/dbraw/zinc/11/15/29/328111529.db2.gz XTNDTIKRLXDOSK-UHFFFAOYSA-N 0 1 289.419 3.934 20 0 CHADMN Cc1ccc(CN2CC=C(C(F)(F)F)CC2)c(C)c1 ZINC000571350885 328115080 /nfs/dbraw/zinc/11/50/80/328115080.db2.gz YRYMJIYOJFPBLP-UHFFFAOYSA-N 0 1 269.310 3.998 20 0 CHADMN CC(C)(C)[C@@H](CO)NCc1cc(Cl)sc1Cl ZINC000312575406 328129659 /nfs/dbraw/zinc/12/96/59/328129659.db2.gz DVWHXWJEOHQPLG-MRVPVSSYSA-N 0 1 282.236 3.552 20 0 CHADMN Cn1ccc([C@H](NC2CCCC2)c2ccc(Cl)cc2)n1 ZINC000541748472 328130173 /nfs/dbraw/zinc/13/01/73/328130173.db2.gz NDHQIGNSMXOCAB-MRXNPFEDSA-N 0 1 289.810 3.695 20 0 CHADMN C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000571529530 328132029 /nfs/dbraw/zinc/13/20/29/328132029.db2.gz MGPGWBYZSXSDLL-LBPRGKRZSA-N 0 1 287.359 3.681 20 0 CHADMN c1ccc2c(CN(Cc3cccnc3)C3CC3)ccnc2c1 ZINC000571567464 328135626 /nfs/dbraw/zinc/13/56/26/328135626.db2.gz MIIKECIPMDLQKG-UHFFFAOYSA-N 0 1 289.382 3.794 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(C(C)(C)C)cc2)n(C)n1 ZINC000283845339 328133511 /nfs/dbraw/zinc/13/35/11/328133511.db2.gz BVFJNINKHBCWII-AWEZNQCLSA-N 0 1 285.435 3.877 20 0 CHADMN C/C=C\c1ccc(NC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC000571554255 328133580 /nfs/dbraw/zinc/13/35/80/328133580.db2.gz YLQVOKYTCCVKFN-DANOYGIBSA-N 0 1 286.419 3.921 20 0 CHADMN CCn1cc([C@@H](C)N[C@H](C)c2ccc(C)cc2OC)cn1 ZINC000571614353 328137824 /nfs/dbraw/zinc/13/78/24/328137824.db2.gz OGDRBPMYJLWNGZ-ZIAGYGMSSA-N 0 1 287.407 3.632 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@@H]1CS[C@H](C)C1 ZINC000413518181 328147846 /nfs/dbraw/zinc/14/78/46/328147846.db2.gz NDSQWOJYJJOFIZ-ZJUUUORDSA-N 0 1 292.379 3.688 20 0 CHADMN COc1cccc([C@@H]2C[C@H]2CNc2cccc(C)n2)c1 ZINC000413570535 328149310 /nfs/dbraw/zinc/14/93/10/328149310.db2.gz HJYXTKOMNFHEIA-HOCLYGCPSA-N 0 1 268.360 3.614 20 0 CHADMN CC[C@@H](O)CCN[C@H](C)c1csc(-c2ccccc2)n1 ZINC000414095868 328152400 /nfs/dbraw/zinc/15/24/00/328152400.db2.gz OEUYRWQKXGGPKF-TZMCWYRMSA-N 0 1 290.432 3.622 20 0 CHADMN CCc1ncc(CN[C@H](c2ccc(F)c(C)c2)C2CC2)cn1 ZINC000414362668 328155330 /nfs/dbraw/zinc/15/53/30/328155330.db2.gz FMXYXVOZZHEKAR-SFHVURJKSA-N 0 1 299.393 3.727 20 0 CHADMN CCC(C)(C)c1ccc(CNCc2ccc(C)nn2)cc1 ZINC000414364406 328155334 /nfs/dbraw/zinc/15/53/34/328155334.db2.gz IXJVJRPFANXMGN-UHFFFAOYSA-N 0 1 283.419 3.762 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1nc2c(s1)CCCC2 ZINC000414351675 328156136 /nfs/dbraw/zinc/15/61/36/328156136.db2.gz RYVKZSDKMWLXAR-NQBHXWOUSA-N 0 1 288.416 3.822 20 0 CHADMN CCN(Cc1cccs1)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000264002588 328156538 /nfs/dbraw/zinc/15/65/38/328156538.db2.gz RUBHITGPAKHKNE-UHFFFAOYSA-N 0 1 299.399 3.595 20 0 CHADMN Cc1occc1CN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000414380287 328158653 /nfs/dbraw/zinc/15/86/53/328158653.db2.gz IPKAHIYSAPBNKR-INIZCTEOSA-N 0 1 299.370 3.696 20 0 CHADMN CCc1ncc(C[N@H+]2CCC[C@H]2c2ccc(C)c(C)c2)cn1 ZINC000414381841 328159132 /nfs/dbraw/zinc/15/91/32/328159132.db2.gz NHRBWSRPOUZHJI-SFHVURJKSA-N 0 1 295.430 3.993 20 0 CHADMN CCc1ncc(CN2CCC[C@H]2c2ccc(C)c(C)c2)cn1 ZINC000414381841 328159134 /nfs/dbraw/zinc/15/91/34/328159134.db2.gz NHRBWSRPOUZHJI-SFHVURJKSA-N 0 1 295.430 3.993 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cn3ccsc3n2)s1 ZINC000268796404 328186085 /nfs/dbraw/zinc/18/60/85/328186085.db2.gz IJRZDFWPWHSPQZ-SNVBAGLBSA-N 0 1 291.445 3.871 20 0 CHADMN C[C@H](N[C@H]1CS[C@H](C(C)(C)C)C1)c1nccs1 ZINC000414497880 328189229 /nfs/dbraw/zinc/18/92/29/328189229.db2.gz VAZPAXFAEKFFHB-AXFHLTTASA-N 0 1 270.467 3.714 20 0 CHADMN C[C@H]1C[C@H](NCc2csc(-c3cccs3)n2)CS1 ZINC000414499528 328189702 /nfs/dbraw/zinc/18/97/02/328189702.db2.gz KHEGLFZCBCCSGB-UWVGGRQHSA-N 0 1 296.486 3.855 20 0 CHADMN FC(F)(F)c1ccnc(CNCC2CCCCCC2)n1 ZINC000414501864 328190174 /nfs/dbraw/zinc/19/01/74/328190174.db2.gz FQHBKRNNFNIHDS-UHFFFAOYSA-N 0 1 287.329 3.555 20 0 CHADMN Cc1ccncc1CN(C)Cc1cccc(Cl)c1 ZINC000269449226 328190487 /nfs/dbraw/zinc/19/04/87/328190487.db2.gz ASZVAMXAWNLQBN-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1ccncc1CN(C)[C@H](C)c1ccc(F)cc1 ZINC000269451461 328190504 /nfs/dbraw/zinc/19/05/04/328190504.db2.gz VWIXOVBCCXIETD-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN CCN(Cc1cc2cccnc2o1)Cc1occc1C ZINC000414549822 328193621 /nfs/dbraw/zinc/19/36/21/328193621.db2.gz MGJIWGUMPWTEFD-UHFFFAOYSA-N 0 1 270.332 3.751 20 0 CHADMN CC(C)Oc1ccccc1CN[C@@H](C)c1cccc(CO)c1 ZINC000271865405 328198652 /nfs/dbraw/zinc/19/86/52/328198652.db2.gz FPCFDZZXHWYVAH-HNNXBMFYSA-N 0 1 299.414 3.817 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)CCCC1CCCC1 ZINC000272275397 328199053 /nfs/dbraw/zinc/19/90/53/328199053.db2.gz ASOHOXVEHQYTIE-UHFFFAOYSA-N 0 1 285.338 3.955 20 0 CHADMN Cc1csc(C[N@@H+](C)CCc2ccc(Cl)cc2)n1 ZINC000176371647 329174866 /nfs/dbraw/zinc/17/48/66/329174866.db2.gz JEXBIFSTMXXBIE-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN Cc1csc(CN(C)CCc2ccc(Cl)cc2)n1 ZINC000176371647 329174868 /nfs/dbraw/zinc/17/48/68/329174868.db2.gz JEXBIFSTMXXBIE-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN CCOc1ccc(CNCc2ccc3c(n2)CCCC3)cc1 ZINC000277737131 328222095 /nfs/dbraw/zinc/22/20/95/328222095.db2.gz PHQZMUDGTVNJRJ-UHFFFAOYSA-N 0 1 296.414 3.649 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1cccc(O)c1Cl ZINC000353520423 328256075 /nfs/dbraw/zinc/25/60/75/328256075.db2.gz OQAZNQCGWVTKRS-NSHDSACASA-N 0 1 273.829 3.619 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccc(Cl)c2)cc1O ZINC000289948849 328257012 /nfs/dbraw/zinc/25/70/12/328257012.db2.gz WLMZRVIEZICYEZ-LLVKDONJSA-N 0 1 291.778 3.905 20 0 CHADMN CCc1nc(C)c([C@@H](C)N(C)CCC(=O)C(C)C)s1 ZINC000290207466 328258386 /nfs/dbraw/zinc/25/83/86/328258386.db2.gz HBYZWPSSFKHPPO-GFCCVEGCSA-N 0 1 282.453 3.622 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000187778638 328302908 /nfs/dbraw/zinc/30/29/08/328302908.db2.gz WHGSLXUHUBQYGS-HIFRSBDPSA-N 0 1 299.418 3.984 20 0 CHADMN C[C@H](N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccoc1 ZINC000531962488 328347497 /nfs/dbraw/zinc/34/74/97/328347497.db2.gz OPVRJOSIWCAZHT-AFAVFJNCSA-N 0 1 289.350 3.990 20 0 CHADMN C[C@@H]1CN(CCc2ccccc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000303833055 328359790 /nfs/dbraw/zinc/35/97/90/328359790.db2.gz ACLNYFFCBYOMIS-BEFAXECRSA-N 0 1 299.389 3.830 20 0 CHADMN CCCCN(CCCC)Cc1ncc(C2CC2)o1 ZINC000534811471 328362670 /nfs/dbraw/zinc/36/26/70/328362670.db2.gz YJJDLRGVTSHNNS-UHFFFAOYSA-N 0 1 250.386 3.954 20 0 CHADMN CCCCc1nc2ccc(NC(=O)C(C)C)cc2[nH]1 ZINC000049486877 328363965 /nfs/dbraw/zinc/36/39/65/328363965.db2.gz AJVWMCODIWJQNL-UHFFFAOYSA-N 0 1 259.353 3.500 20 0 CHADMN Oc1ccc(Cl)cc1-c1nc(Cc2cccs2)no1 ZINC000111688199 328374790 /nfs/dbraw/zinc/37/47/90/328374790.db2.gz HAAKXHNIFFVKOR-UHFFFAOYSA-N 0 1 292.747 3.748 20 0 CHADMN Cc1cccc2nc(CNC(=O)C[C@@H]3CCCC[C@@H]3C)[nH]c21 ZINC000535029592 328377270 /nfs/dbraw/zinc/37/72/70/328377270.db2.gz BFQCGDIYZSHOLG-JSGCOSHPSA-N 0 1 299.418 3.704 20 0 CHADMN Fc1cccc(F)c1CNCCCOc1ccccc1 ZINC000049825220 328379001 /nfs/dbraw/zinc/37/90/01/328379001.db2.gz VQXQGLBYYBZKTA-UHFFFAOYSA-N 0 1 277.314 3.524 20 0 CHADMN C[C@H](NCc1ccccc1CO)c1ccccc1Cl ZINC000304715378 328382071 /nfs/dbraw/zinc/38/20/71/328382071.db2.gz NBAKXKXBNAGCHI-LBPRGKRZSA-N 0 1 275.779 3.683 20 0 CHADMN Cc1cc(CN(C)C[C@H]2CCCC(C)(C)C2)no1 ZINC000535078042 328382893 /nfs/dbraw/zinc/38/28/93/328382893.db2.gz JYHILWXIWFAAIF-ZDUSSCGKSA-N 0 1 250.386 3.631 20 0 CHADMN Cc1cc([C@@H]2CCC[N@H+]2Cc2ccnc3ccccc23)on1 ZINC000535074480 328384423 /nfs/dbraw/zinc/38/44/23/328384423.db2.gz BTBIJHYIODYBMO-KRWDZBQOSA-N 0 1 293.370 3.868 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2ccnc3ccccc23)on1 ZINC000535074480 328384424 /nfs/dbraw/zinc/38/44/24/328384424.db2.gz BTBIJHYIODYBMO-KRWDZBQOSA-N 0 1 293.370 3.868 20 0 CHADMN C[C@H](O)[C@@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000305155264 328394630 /nfs/dbraw/zinc/39/46/30/328394630.db2.gz BYOOPNNZMBUXLE-WDEREUQCSA-N 0 1 288.218 3.586 20 0 CHADMN CC(C)[C@@H]1CCN(Cc2csc(C(C)(C)C)n2)C1 ZINC000532038858 328396877 /nfs/dbraw/zinc/39/68/77/328396877.db2.gz WPXYTDSAMDBRAD-GFCCVEGCSA-N 0 1 266.454 3.919 20 0 CHADMN Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2nc(C(C)C)no2)cc1 ZINC000172077369 335093607 /nfs/dbraw/zinc/09/36/07/335093607.db2.gz PLFUWGKSHWNYRC-INIZCTEOSA-N 0 1 299.418 3.709 20 0 CHADMN Cc1ccc(C[C@@H]2CCCN2Cc2nc(C(C)C)no2)cc1 ZINC000172077369 335093608 /nfs/dbraw/zinc/09/36/08/335093608.db2.gz PLFUWGKSHWNYRC-INIZCTEOSA-N 0 1 299.418 3.709 20 0 CHADMN Cc1ccc(CN[C@@H]2CCC(C)(C)c3ccccc32)nn1 ZINC000335477875 335093665 /nfs/dbraw/zinc/09/36/65/335093665.db2.gz XKUBOMOFCTUVHE-QGZVFWFLSA-N 0 1 281.403 3.687 20 0 CHADMN Fc1ccc(CNCc2ccncc2)c(C(F)(F)F)c1 ZINC000067667677 326795727 /nfs/dbraw/zinc/79/57/27/326795727.db2.gz RYOIMQVXYQTDPP-UHFFFAOYSA-N 0 1 284.256 3.529 20 0 CHADMN C[C@@H](N[C@H](C)c1cnccn1)c1ccc(C(F)(F)F)cc1 ZINC000070478735 326917356 /nfs/dbraw/zinc/91/73/56/326917356.db2.gz AAVCFKKEONODOX-GHMZBOCLSA-N 0 1 295.308 3.907 20 0 CHADMN CN(C)[C@@H](CNC(=O)C(C)(C)C(C)(C)C)c1ccsc1 ZINC000553266192 326935337 /nfs/dbraw/zinc/93/53/37/326935337.db2.gz STPZUZIYHKOKBV-ZDUSSCGKSA-N 0 1 296.480 3.539 20 0 CHADMN CC1(C)c2ccccc2CCN1Cc1cnc2ccccn12 ZINC000557328375 327001763 /nfs/dbraw/zinc/00/17/63/327001763.db2.gz BQMDTICRXTUKPC-UHFFFAOYSA-N 0 1 291.398 3.628 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000263308601 327013823 /nfs/dbraw/zinc/01/38/23/327013823.db2.gz FXADONAOKYGISK-LEOABGAYSA-N 0 1 279.424 3.530 20 0 CHADMN CC[C@H](CN(Cc1ccccn1)Cc1ccccc1C)OC ZINC000568888928 327023513 /nfs/dbraw/zinc/02/35/13/327023513.db2.gz JCHSXLLRHYZTHO-LJQANCHMSA-N 0 1 298.430 3.817 20 0 CHADMN CCn1cncc1CN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000090171256 327031718 /nfs/dbraw/zinc/03/17/18/327031718.db2.gz KLZUONXGOAIJDI-LLVKDONJSA-N 0 1 297.324 3.773 20 0 CHADMN CCc1ccc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)s1 ZINC000569073719 327032121 /nfs/dbraw/zinc/03/21/21/327032121.db2.gz AFEWLJCIBSEHEC-AWEZNQCLSA-N 0 1 267.438 3.557 20 0 CHADMN CCc1ccc(CN2CCO[C@H](C(C)(C)C)C2)s1 ZINC000569073719 327032122 /nfs/dbraw/zinc/03/21/22/327032122.db2.gz AFEWLJCIBSEHEC-AWEZNQCLSA-N 0 1 267.438 3.557 20 0 CHADMN Cc1cccc(C)c1CN[C@H](c1ccccc1F)[C@H](C)O ZINC000565839161 327033613 /nfs/dbraw/zinc/03/36/13/327033613.db2.gz XNTYXQJBVDUNJU-KSSFIOAISA-N 0 1 287.378 3.654 20 0 CHADMN Cc1ccc(C)c(OC2CCN(Cc3ccccn3)CC2)c1 ZINC000064486595 327039725 /nfs/dbraw/zinc/03/97/25/327039725.db2.gz NJQUHUIOYPOFDO-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN C[C@@H]1CCCC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000584118826 327042948 /nfs/dbraw/zinc/04/29/48/327042948.db2.gz NEMITRULBOIOJO-LLVKDONJSA-N 0 1 281.783 3.660 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2C)cc1Br ZINC000306315680 327080355 /nfs/dbraw/zinc/08/03/55/327080355.db2.gz QSPXOWVQPXCQKE-NSHDSACASA-N 0 1 268.198 3.742 20 0 CHADMN CC(C)(C)OCc1cc(CN[C@@H]2CC[C@H]2C(C)(C)C)no1 ZINC000558256462 327083316 /nfs/dbraw/zinc/08/33/16/327083316.db2.gz IVALIZLWSVYNSY-HUUCEWRRSA-N 0 1 294.439 3.904 20 0 CHADMN C[C@H](NCc1nnc(C2CC2)o1)[C@@H](C)C1CCCCC1 ZINC000558403189 327091212 /nfs/dbraw/zinc/09/12/12/327091212.db2.gz SSRLCZUBAQDWCB-NEPJUHHUSA-N 0 1 277.412 3.642 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000558412413 327092065 /nfs/dbraw/zinc/09/20/65/327092065.db2.gz ZBYRXYUDHGEAIE-KSZLIROESA-N 0 1 295.467 3.639 20 0 CHADMN Fc1ccc2c(c1)CN(C[C@H]1CCC3(CCCC3)O1)CC2 ZINC000558725233 327117672 /nfs/dbraw/zinc/11/76/72/327117672.db2.gz IQWCWEWOUICORQ-QGZVFWFLSA-N 0 1 289.394 3.676 20 0 CHADMN C[C@H](N[C@@H](CN(C)C)c1ccc(Cl)cc1)c1ccoc1 ZINC000558968001 327135447 /nfs/dbraw/zinc/13/54/47/327135447.db2.gz FWADXYAKDGNXDJ-LRDDRELGSA-N 0 1 292.810 3.887 20 0 CHADMN CC1CN(Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000559073932 327140364 /nfs/dbraw/zinc/14/03/64/327140364.db2.gz NBDQWVKEXSXKAR-UHFFFAOYSA-N 0 1 297.446 3.681 20 0 CHADMN Cc1nnsc1CNC1(c2ccc(F)cc2)CCCC1 ZINC000564458179 327140561 /nfs/dbraw/zinc/14/05/61/327140561.db2.gz PRFRYSFZZXFCAV-UHFFFAOYSA-N 0 1 291.395 3.545 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000569349267 327142649 /nfs/dbraw/zinc/14/26/49/327142649.db2.gz MDKJVFWDJDMOKY-ZJUUUORDSA-N 0 1 273.298 3.641 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000569349265 327142684 /nfs/dbraw/zinc/14/26/84/327142684.db2.gz MDKJVFWDJDMOKY-UWVGGRQHSA-N 0 1 273.298 3.641 20 0 CHADMN CC[C@@H](C(=O)Nc1ccc(C)cc1)N(C)Cc1ccccc1 ZINC000559261829 327151883 /nfs/dbraw/zinc/15/18/83/327151883.db2.gz DFCPJPYKISGTOG-SFHVURJKSA-N 0 1 296.414 3.844 20 0 CHADMN CCS[C@@H]1CC[C@@H](N(C)Cc2nc(C)cs2)C1 ZINC000088602521 327164822 /nfs/dbraw/zinc/16/48/22/327164822.db2.gz QFITWNAJQMWLDS-VXGBXAGGSA-N 0 1 270.467 3.558 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](C)[C@H]1C)c1nc(C2CCCCC2)no1 ZINC000559303669 327157364 /nfs/dbraw/zinc/15/73/64/327157364.db2.gz IUKMHSXVJWBCTI-NRWUCQMLSA-N 0 1 277.412 3.812 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000086756755 327158737 /nfs/dbraw/zinc/15/87/37/327158737.db2.gz UAYHFTQHPVJGLI-NWDGAFQWSA-N 0 1 281.783 3.588 20 0 CHADMN CC[C@H](N[C@H](C)c1noc(COC(C)C)n1)C1CCCC1 ZINC000449332979 327163232 /nfs/dbraw/zinc/16/32/32/327163232.db2.gz FLPJZRQZLLNVDC-OCCSQVGLSA-N 0 1 295.427 3.614 20 0 CHADMN CO[C@@H](CN[C@H](C)c1nccs1)c1cccc(Cl)c1 ZINC000090173046 327177636 /nfs/dbraw/zinc/17/76/36/327177636.db2.gz GJNYTFLBMVYCPK-MFKMUULPSA-N 0 1 296.823 3.835 20 0 CHADMN C[C@H](NCCOc1ccccc1Cl)c1nccs1 ZINC000090772524 327181767 /nfs/dbraw/zinc/18/17/67/327181767.db2.gz QRGCAZSJLVVLGL-JTQLQIEISA-N 0 1 282.796 3.526 20 0 CHADMN CCCC[N@@H+](Cc1cnc[nH]1)[C@@H](C)c1ccccc1 ZINC000092263437 327191346 /nfs/dbraw/zinc/19/13/46/327191346.db2.gz QTFNUOAUYYWRSI-AWEZNQCLSA-N 0 1 257.381 3.773 20 0 CHADMN CCCC[N@H+](Cc1c[nH]cn1)[C@@H](C)c1ccccc1 ZINC000092263437 327191348 /nfs/dbraw/zinc/19/13/48/327191348.db2.gz QTFNUOAUYYWRSI-AWEZNQCLSA-N 0 1 257.381 3.773 20 0 CHADMN CC(C)(C)CCC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000410415391 327192776 /nfs/dbraw/zinc/19/27/76/327192776.db2.gz VQKNREQQRKYSRE-INIZCTEOSA-N 0 1 277.408 3.592 20 0 CHADMN CC(C)(C)CCCN1CCO[C@H](c2cccc(O)c2)C1 ZINC000410415391 327192777 /nfs/dbraw/zinc/19/27/77/327192777.db2.gz VQKNREQQRKYSRE-INIZCTEOSA-N 0 1 277.408 3.592 20 0 CHADMN CCC(CC)CN1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000092356059 327192947 /nfs/dbraw/zinc/19/29/47/327192947.db2.gz SGHRZOPPUBSRKN-QGZVFWFLSA-N 0 1 299.418 3.914 20 0 CHADMN Cc1ccc(CN(C)[C@@H]2CCCc3nc(C)sc32)o1 ZINC000093364928 327197616 /nfs/dbraw/zinc/19/76/16/327197616.db2.gz YBPJHVDIMQBNMY-CQSZACIVSA-N 0 1 276.405 3.862 20 0 CHADMN C[C@H](N[C@H]1CC2CCC1CC2)c1nc(C(C)(C)C)no1 ZINC000584268857 327205139 /nfs/dbraw/zinc/20/51/39/327205139.db2.gz HNSFCKRNGZBUKM-WTIISPKJSA-N 0 1 277.412 3.596 20 0 CHADMN COc1ccc(CNC(C)(C)c2ccc(C)nc2)c(F)c1 ZINC000569610237 327210692 /nfs/dbraw/zinc/21/06/92/327210692.db2.gz HWVQPLGDLBFJDU-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN CC(C)Cc1ncc(CN2CCC(CF)CC2)s1 ZINC000449457144 327219298 /nfs/dbraw/zinc/21/92/98/327219298.db2.gz NNEQNPYFHAVQGZ-UHFFFAOYSA-N 0 1 270.417 3.523 20 0 CHADMN CC(C)(C)c1cc(CN2CC(C)(C)[C@@H]3CCC[C@H]32)no1 ZINC000559432471 327244986 /nfs/dbraw/zinc/24/49/86/327244986.db2.gz TWTFXYKBEHGEEM-ZIAGYGMSSA-N 0 1 276.424 3.983 20 0 CHADMN Fc1cc(NCc2ccc3nc[nH]c3c2)ccc1Cl ZINC000559477876 327248147 /nfs/dbraw/zinc/24/81/47/327248147.db2.gz XUJZFKMFLJIVQI-UHFFFAOYSA-N 0 1 275.714 3.968 20 0 CHADMN CC(C)[C@H]1CCCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000559666915 327257360 /nfs/dbraw/zinc/25/73/60/327257360.db2.gz SHLFTALYHMXSRW-MRXNPFEDSA-N 0 1 289.423 3.718 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1nc2ccccc2n1CC ZINC000577542794 327264767 /nfs/dbraw/zinc/26/47/67/327264767.db2.gz JDSWQBVQKKHWDI-ZDUSSCGKSA-N 0 1 291.464 3.630 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc2ccccc2o1)c1cnn(C)c1 ZINC000044497469 327267578 /nfs/dbraw/zinc/26/75/78/327267578.db2.gz AAXJNPLPCJZIPO-NEPJUHHUSA-N 0 1 269.348 3.578 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@H]1CCC[C@H]1F ZINC000559918644 327271161 /nfs/dbraw/zinc/27/11/61/327271161.db2.gz UVEPPWYMQQFQDY-YUTCNCBUSA-N 0 1 251.345 3.627 20 0 CHADMN Cc1cnccc1CN1CC(c2ccc(Cl)cc2)C1 ZINC000560135544 327285993 /nfs/dbraw/zinc/28/59/93/327285993.db2.gz PWQJRJBRGWQXPP-UHFFFAOYSA-N 0 1 272.779 3.643 20 0 CHADMN Cc1ccccc1[C@]1(F)CCN(Cc2ccncc2C)C1 ZINC000560146037 327287025 /nfs/dbraw/zinc/28/70/25/327287025.db2.gz NGQVBHVXCVFNRK-SFHVURJKSA-N 0 1 284.378 3.769 20 0 CHADMN c1csc([C@H](NCc2nc3ccccc3[nH]2)C2CC2)c1 ZINC000049956684 327299132 /nfs/dbraw/zinc/29/91/32/327299132.db2.gz AXQBLUAFXFDNGS-MRXNPFEDSA-N 0 1 283.400 3.865 20 0 CHADMN C[C@@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1ccoc1 ZINC000560349598 327301893 /nfs/dbraw/zinc/30/18/93/327301893.db2.gz HKTKFJARSYWCNQ-LALPHHSUSA-N 0 1 257.333 3.843 20 0 CHADMN C[C@@H](NC[C@@H]1CCC2(CCCC2)O1)c1c(F)cncc1F ZINC000560506336 327316611 /nfs/dbraw/zinc/31/66/11/327316611.db2.gz LMYITUPNUYQDHE-NEPJUHHUSA-N 0 1 296.361 3.502 20 0 CHADMN CCc1ccccc1CCN1CCCC[C@@H]1c1nc(C)no1 ZINC000560533392 327320671 /nfs/dbraw/zinc/32/06/71/327320671.db2.gz GNXPWNJAEBVONN-QGZVFWFLSA-N 0 1 299.418 3.710 20 0 CHADMN Cc1noc([C@H]2CCCCN2CCCc2ccccc2C)n1 ZINC000560540623 327321534 /nfs/dbraw/zinc/32/15/34/327321534.db2.gz RZLVSDIPZLQIPG-QGZVFWFLSA-N 0 1 299.418 3.846 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccc2c(n1)CCC2)c1ccccc1 ZINC000560576381 327327102 /nfs/dbraw/zinc/32/71/02/327327102.db2.gz UOFSKHRXCOXPHL-OAHLLOKOSA-N 0 1 280.415 3.806 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000574406209 327330181 /nfs/dbraw/zinc/33/01/81/327330181.db2.gz JPCVNTNTAKHSLA-HZPDHXFCSA-N 0 1 275.392 3.509 20 0 CHADMN COc1ccc2ccccc2c1CN1CCC[C@@H]1CF ZINC000560611093 327330952 /nfs/dbraw/zinc/33/09/52/327330952.db2.gz CBSKXRYDPIWLNO-CQSZACIVSA-N 0 1 273.351 3.782 20 0 CHADMN CC1(C)C[C@H](c2ccccc2)[N@@H+](CC2(CC(=O)[O-])CC2)C1 ZINC000566361035 327336166 /nfs/dbraw/zinc/33/61/66/327336166.db2.gz DFFIODBSSVYXME-OAHLLOKOSA-N 0 1 287.403 3.715 20 0 CHADMN O=C([O-])CCCC[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000566363070 327337957 /nfs/dbraw/zinc/33/79/57/327337957.db2.gz YVIIUELLIGXCDE-UHFFFAOYSA-N 0 1 279.380 3.669 20 0 CHADMN O=C([O-])C[N@@H+](CCCC1CCCC1)CCc1ccccc1 ZINC000582127814 327352750 /nfs/dbraw/zinc/35/27/50/327352750.db2.gz KEJPMRKWZXIZBA-UHFFFAOYSA-N 0 1 289.419 3.586 20 0 CHADMN C[C@H](CN1CCC[C@@H]1CF)c1cccc(Cl)c1 ZINC000561063780 327362494 /nfs/dbraw/zinc/36/24/94/327362494.db2.gz UCLBXYZDPSRUOY-BXUZGUMPSA-N 0 1 255.764 3.877 20 0 CHADMN Cc1nc(C)c([C@@H](C)NCc2cnc(C)cc2C)s1 ZINC000397477580 327472597 /nfs/dbraw/zinc/47/25/97/327472597.db2.gz BFPYUZGOKZQZML-LLVKDONJSA-N 0 1 275.421 3.623 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2C[C@@H]1C)c1cn2ccccc2n1 ZINC000562492609 327485287 /nfs/dbraw/zinc/48/52/87/327485287.db2.gz GFYHECVLTHIMHX-NJSLBKSFSA-N 0 1 291.398 3.918 20 0 CHADMN Cc1cc(CN[C@H]2CCSc3c(F)cccc32)ccn1 ZINC000336233762 327544318 /nfs/dbraw/zinc/54/43/18/327544318.db2.gz GYONHTWMVQBSBD-HNNXBMFYSA-N 0 1 288.391 3.856 20 0 CHADMN Cc1ccc(CN[C@H]2c3ccccc3O[C@H]2C)cc1F ZINC000569883158 327553382 /nfs/dbraw/zinc/55/33/82/327553382.db2.gz DRZGTMJOTMSBOR-YVEFUNNKSA-N 0 1 271.335 3.746 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccc(F)c(C)c1 ZINC000507469902 332807891 /nfs/dbraw/zinc/80/78/91/332807891.db2.gz LOFITLOMYZCLEO-CYBMUJFWSA-N 0 1 272.367 3.942 20 0 CHADMN CCc1ccc([C@H](C)NCc2cccc3c2OCO3)s1 ZINC000041632226 328712917 /nfs/dbraw/zinc/71/29/17/328712917.db2.gz SWAIXXGNKLSWOE-NSHDSACASA-N 0 1 289.400 3.890 20 0 CHADMN CC[C@H](COC)NCc1c(Cl)cccc1Cl ZINC000070658048 328715496 /nfs/dbraw/zinc/71/54/96/328715496.db2.gz PHGSKEBVRZFFCJ-SECBINFHSA-N 0 1 262.180 3.508 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)N[C@@H](C)c2ccncn2)c1 ZINC000395824598 328761223 /nfs/dbraw/zinc/76/12/23/328761223.db2.gz RKMYDTVQBCORGB-KGLIPLIRSA-N 0 1 285.391 3.676 20 0 CHADMN CCN(CC)[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000532458256 328779784 /nfs/dbraw/zinc/77/97/84/328779784.db2.gz WNWPBWCDFBHBHQ-GFCCVEGCSA-N 0 1 282.815 3.626 20 0 CHADMN CSc1ccc([C@@H](C)N[C@H](C)c2ccncn2)cc1 ZINC000395962553 328791162 /nfs/dbraw/zinc/79/11/62/328791162.db2.gz JJCBBXKPYMABCL-VXGBXAGGSA-N 0 1 273.405 3.610 20 0 CHADMN CC(C)(C)[C@@H]1CCCC[C@H]1NCc1nnc(C2CC2)o1 ZINC000532701184 328805690 /nfs/dbraw/zinc/80/56/90/328805690.db2.gz IQKLRTUUPIMGAV-CHWSQXEVSA-N 0 1 277.412 3.642 20 0 CHADMN Oc1ccc(CNCc2cscc2C(F)(F)F)cc1 ZINC000352835498 328811804 /nfs/dbraw/zinc/81/18/04/328811804.db2.gz PWSDAAMDZHWDDR-UHFFFAOYSA-N 0 1 287.306 3.762 20 0 CHADMN C[C@@H](N[C@H]1COC(C)(C)C1)c1c(F)cccc1Cl ZINC000396590289 328824848 /nfs/dbraw/zinc/82/48/48/328824848.db2.gz PEFPNIMSAVGJGM-NXEZZACHSA-N 0 1 271.763 3.697 20 0 CHADMN Cc1nccc(NCc2cccs2)c1Br ZINC000309234223 328841253 /nfs/dbraw/zinc/84/12/53/328841253.db2.gz XHWZVUJFBGDWCV-UHFFFAOYSA-N 0 1 283.194 3.826 20 0 CHADMN C[C@H](N[C@H](CO)c1ccc(F)cc1)c1cc2ccccc2o1 ZINC000563984584 328842399 /nfs/dbraw/zinc/84/23/99/328842399.db2.gz IOUKNDYUJNXZTG-BLLLJJGKSA-N 0 1 299.345 3.956 20 0 CHADMN COc1cccc(C2(CNc3cc(C)ccn3)CC2)c1 ZINC000357529399 328872213 /nfs/dbraw/zinc/87/22/13/328872213.db2.gz IPCULABKEADMHO-UHFFFAOYSA-N 0 1 268.360 3.542 20 0 CHADMN CCCn1cc(CNC2(c3ccc(Cl)cc3)CC2)cn1 ZINC000116917508 328939419 /nfs/dbraw/zinc/93/94/19/328939419.db2.gz LEDNYSTYYIKJRW-UHFFFAOYSA-N 0 1 289.810 3.725 20 0 CHADMN CC(C)(C)c1nc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cs1 ZINC000582352959 328968624 /nfs/dbraw/zinc/96/86/24/328968624.db2.gz HNNJSYIOAMIURM-ARFHVFGLSA-N 0 1 298.455 3.869 20 0 CHADMN CC(C)n1ncc2c1[C@@H](N[C@H](C)c1ccccn1)CCC2 ZINC000375184365 329001828 /nfs/dbraw/zinc/00/18/28/329001828.db2.gz PSXLADTUYFNQJJ-CJNGLKHVSA-N 0 1 284.407 3.587 20 0 CHADMN Fc1ccc(CN2CCC=C(c3ccccc3)C2)cn1 ZINC000375269343 329002589 /nfs/dbraw/zinc/00/25/89/329002589.db2.gz YWFCVTMCQGDBFY-UHFFFAOYSA-N 0 1 268.335 3.510 20 0 CHADMN COc1ccc(CN[C@@H]2COc3c2cccc3Cl)cc1 ZINC000378091602 329039725 /nfs/dbraw/zinc/03/97/25/329039725.db2.gz MAVPXLJSVYXQHM-OAHLLOKOSA-N 0 1 289.762 3.572 20 0 CHADMN CC(C)(C)c1ncc(CN2CC3(CCC3)[C@@H]2C2CC2)cn1 ZINC000378152451 329041534 /nfs/dbraw/zinc/04/15/34/329041534.db2.gz YSJUPFBJIHKEMI-HNNXBMFYSA-N 0 1 285.435 3.539 20 0 CHADMN Cc1cccnc1CN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000378399786 329048969 /nfs/dbraw/zinc/04/89/69/329048969.db2.gz VJPVSVYXDZZIMT-UHFFFAOYSA-N 0 1 299.805 3.728 20 0 CHADMN O=C(C=CC1CCCCC1)Nc1ccccc1-c1nnc[nH]1 ZINC000378426328 329049744 /nfs/dbraw/zinc/04/97/44/329049744.db2.gz PDBRFZQGTUPHEV-ZHACJKMWSA-N 0 1 296.374 3.547 20 0 CHADMN FC(F)(F)c1cccc([C@H]2CCN(Cc3ccon3)C2)c1 ZINC000378644225 329057838 /nfs/dbraw/zinc/05/78/38/329057838.db2.gz BWLBJHPJVHWREB-LBPRGKRZSA-N 0 1 296.292 3.683 20 0 CHADMN CCCc1nc(CSCc2n[nH]c(C3CC3)n2)cs1 ZINC000193609136 329059790 /nfs/dbraw/zinc/05/97/90/329059790.db2.gz HSNGIKVZPCNUSQ-UHFFFAOYSA-N 0 1 294.449 3.525 20 0 CHADMN C=Cn1cc(C[N@H+](C)Cc2ccc(C(C)C)cc2)cn1 ZINC000193610875 329059980 /nfs/dbraw/zinc/05/99/80/329059980.db2.gz OKDJPKSLVJDAQA-UHFFFAOYSA-N 0 1 269.392 3.739 20 0 CHADMN C=Cn1cc(CN(C)Cc2ccc(C(C)C)cc2)cn1 ZINC000193610875 329059981 /nfs/dbraw/zinc/05/99/81/329059981.db2.gz OKDJPKSLVJDAQA-UHFFFAOYSA-N 0 1 269.392 3.739 20 0 CHADMN C=Cn1cc(CN(C)[C@@H](C)c2cccc(Cl)c2)cn1 ZINC000193685278 329060827 /nfs/dbraw/zinc/06/08/27/329060827.db2.gz FLHVTESTLIHQCA-LBPRGKRZSA-N 0 1 275.783 3.830 20 0 CHADMN Fc1ccc(Cl)c(CSCc2n[nH]c(C3CC3)n2)c1 ZINC000193728591 329061276 /nfs/dbraw/zinc/06/12/76/329061276.db2.gz SLKDUYAPVDUXES-UHFFFAOYSA-N 0 1 297.786 3.908 20 0 CHADMN Cc1nc(CNCCSCc2ccccc2)sc1C ZINC000193910549 329063771 /nfs/dbraw/zinc/06/37/71/329063771.db2.gz WMPIVEBNEIIWCT-UHFFFAOYSA-N 0 1 292.473 3.783 20 0 CHADMN C=Cn1cc(CN2C[C@H](C)C[C@H]2c2cccc(F)c2)cn1 ZINC000193982867 329064638 /nfs/dbraw/zinc/06/46/38/329064638.db2.gz BFGYOWXKEQUWOI-DYVFJYSZSA-N 0 1 285.366 3.706 20 0 CHADMN C=Cn1cc(CN2CCS[C@@H](C)[C@H]2c2ccccc2)cn1 ZINC000193984376 329064653 /nfs/dbraw/zinc/06/46/53/329064653.db2.gz NXOAVVLKEDLSTA-YOEHRIQHSA-N 0 1 299.443 3.662 20 0 CHADMN C[C@H](c1ccccc1)N(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000194104025 329065530 /nfs/dbraw/zinc/06/55/30/329065530.db2.gz HZPYODJWTHRTCG-LLVKDONJSA-N 0 1 289.762 3.879 20 0 CHADMN CC[C@@H](C)[N@@H+](C)Cc1cc(-c2cccs2)on1 ZINC000170915858 329072438 /nfs/dbraw/zinc/07/24/38/329072438.db2.gz VUOQKZYIYQNZMR-SNVBAGLBSA-N 0 1 250.367 3.633 20 0 CHADMN CC[C@@H](C)N(C)Cc1cc(-c2cccs2)on1 ZINC000170915858 329072439 /nfs/dbraw/zinc/07/24/39/329072439.db2.gz VUOQKZYIYQNZMR-SNVBAGLBSA-N 0 1 250.367 3.633 20 0 CHADMN CCC(CC)CN(CC)Cc1nccn1C(C)C ZINC000172171751 329082080 /nfs/dbraw/zinc/08/20/80/329082080.db2.gz XLBHCZWTDKFZCF-UHFFFAOYSA-N 0 1 251.418 3.722 20 0 CHADMN CCS[C@@H]1CCC[C@H]1NCc1cc(C(C)(C)C)on1 ZINC000582489250 329097234 /nfs/dbraw/zinc/09/72/34/329097234.db2.gz JUEUAJCWQDHSNQ-CHWSQXEVSA-N 0 1 282.453 3.736 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000582490664 329097434 /nfs/dbraw/zinc/09/74/34/329097434.db2.gz KIOOJOCGJQAHED-CQSZACIVSA-N 0 1 287.384 3.783 20 0 CHADMN CC(C)(C)c1ccc(C(C)(C)NCc2cnccn2)cc1 ZINC000582591805 329113485 /nfs/dbraw/zinc/11/34/85/329113485.db2.gz VWVXOECVUFFWDB-UHFFFAOYSA-N 0 1 283.419 3.799 20 0 CHADMN CCN(Cc1nc(C(C)C)n2ccccc12)CC(F)(F)F ZINC000582670510 329122594 /nfs/dbraw/zinc/12/25/94/329122594.db2.gz ALFNWLWXHYZXPJ-UHFFFAOYSA-N 0 1 299.340 3.842 20 0 CHADMN CC[C@H](Cc1ccccc1)[N@@H+](CC)CC1(CC(=O)[O-])CC1 ZINC000582671865 329122963 /nfs/dbraw/zinc/12/29/63/329122963.db2.gz WZHNZKRUVRBSDB-MRXNPFEDSA-N 0 1 289.419 3.585 20 0 CHADMN C[C@H]1CSCCN1Cc1ccc(Cl)c2cccnc12 ZINC000172594257 329137393 /nfs/dbraw/zinc/13/73/93/329137393.db2.gz VPAMKXLJNWZXCS-NSHDSACASA-N 0 1 292.835 3.826 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1csc(NC(C)=O)n1 ZINC000173711092 329151198 /nfs/dbraw/zinc/15/11/98/329151198.db2.gz FCHVLGBKDMQPCI-SMDDNHRTSA-N 0 1 295.452 3.502 20 0 CHADMN C[C@H](NCc1ccc(OC2CCCC2)nc1)c1ccncc1 ZINC000173951199 329151655 /nfs/dbraw/zinc/15/16/55/329151655.db2.gz RGEVVSYEONEFPC-AWEZNQCLSA-N 0 1 297.402 3.649 20 0 CHADMN Cc1nc(C(C)(C)N[C@@H]2C=CCCC2)sc1C ZINC000173957335 329151693 /nfs/dbraw/zinc/15/16/93/329151693.db2.gz NGGLASSZZYJVHH-GFCCVEGCSA-N 0 1 250.411 3.693 20 0 CHADMN Cc1c2ccccc2oc1CN[C@H](C)c1ccncc1 ZINC000174100436 329154426 /nfs/dbraw/zinc/15/44/26/329154426.db2.gz FBPYTTVTOXULJF-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN C[C@@H]1CCN(Cc2ccccn2)[C@@H]1c1cccc(F)c1 ZINC000175147871 329163271 /nfs/dbraw/zinc/16/32/71/329163271.db2.gz XFHAFURJURUOOR-DYVFJYSZSA-N 0 1 270.351 3.804 20 0 CHADMN CO[C@H](C)c1noc(CN2CCCCC[C@@H]2CC(C)C)n1 ZINC000175257823 329167146 /nfs/dbraw/zinc/16/71/46/329167146.db2.gz DYFXHPXKIQAZLT-ZIAGYGMSSA-N 0 1 295.427 3.568 20 0 CHADMN CN(Cc1ccc[nH]1)Cc1cccc(C(F)(F)F)c1 ZINC000175428301 329168480 /nfs/dbraw/zinc/16/84/80/329168480.db2.gz YWELOCMERVIGIX-UHFFFAOYSA-N 0 1 268.282 3.666 20 0 CHADMN CC(C)(C)CCCC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000176116407 329173894 /nfs/dbraw/zinc/17/38/94/329173894.db2.gz HCKSBMQJPDYRHM-UHFFFAOYSA-N 0 1 291.370 3.535 20 0 CHADMN Clc1ccc(Cl)c(CN2CC[C@@]3(CCOC3)C2)c1 ZINC000176294550 329174380 /nfs/dbraw/zinc/17/43/80/329174380.db2.gz YESULWCSRNWBEH-CQSZACIVSA-N 0 1 286.202 3.606 20 0 CHADMN CC[C@@H](C)CN(CC)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000176625417 329177414 /nfs/dbraw/zinc/17/74/14/329177414.db2.gz QPDOCDLFIALPHS-LLVKDONJSA-N 0 1 291.420 3.646 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccc1-n1cccn1)c1ccco1 ZINC000177188808 329181760 /nfs/dbraw/zinc/18/17/60/329181760.db2.gz RZHHCDOASPILPY-KBPBESRZSA-N 0 1 281.359 3.877 20 0 CHADMN C[C@@H](NCc1cccc(O)c1)c1ccc2ccccc2n1 ZINC000178406926 329199655 /nfs/dbraw/zinc/19/96/55/329199655.db2.gz SGRBARVTFLHWFZ-CYBMUJFWSA-N 0 1 278.355 3.791 20 0 CHADMN CCOC[C@H](C)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000178727710 329200234 /nfs/dbraw/zinc/20/02/34/329200234.db2.gz HZCLQZIQMXAWDT-QWHCGFSZSA-N 0 1 290.432 3.886 20 0 CHADMN Cc1ncsc1CN(C)Cc1coc2ccccc12 ZINC000179426424 329208179 /nfs/dbraw/zinc/20/81/79/329208179.db2.gz LXELTJPQBARHIC-UHFFFAOYSA-N 0 1 272.373 3.830 20 0 CHADMN C[C@H](N[C@H]1CCCOc2cc(F)ccc21)c1ccncc1 ZINC000179967029 329214118 /nfs/dbraw/zinc/21/41/18/329214118.db2.gz AFFISXMDOOUDTL-LRDDRELGSA-N 0 1 286.350 3.785 20 0 CHADMN COCC(C)(C)NCc1ccc(Oc2ccccc2)o1 ZINC000180854665 329223489 /nfs/dbraw/zinc/22/34/89/329223489.db2.gz JSPNNRBVJWHRFY-UHFFFAOYSA-N 0 1 275.348 3.587 20 0 CHADMN COC(=O)c1ccc([C@@H](C)N[C@@H](C)c2cccs2)o1 ZINC000222456695 329223894 /nfs/dbraw/zinc/22/38/94/329223894.db2.gz WORKNJRZIUXMOG-ZJUUUORDSA-N 0 1 279.361 3.540 20 0 CHADMN CO[C@H](C)CN(Cc1ccco1)Cc1ccc(C)s1 ZINC000182088536 329236715 /nfs/dbraw/zinc/23/67/15/329236715.db2.gz XWWYBCJWRGJIQX-GFCCVEGCSA-N 0 1 279.405 3.687 20 0 CHADMN Cc1cncc(CN[C@@H](C)c2cnc3ccsc3c2)c1 ZINC000181834217 329237727 /nfs/dbraw/zinc/23/77/27/329237727.db2.gz FGDRXVZGYCKBPV-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN CC[C@@H](NC[C@@H](O)C(F)F)c1ccc(Cl)cc1Cl ZINC000224465543 329244040 /nfs/dbraw/zinc/24/40/40/329244040.db2.gz PPANKOJQEJINAZ-GHMZBOCLSA-N 0 1 298.160 3.660 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@H](c3cc(C)cc(C)c3)C2)o1 ZINC000183478269 329247791 /nfs/dbraw/zinc/24/77/91/329247791.db2.gz NKJQEUOZXRDNAP-ZFWWWQNUSA-N 0 1 285.391 3.545 20 0 CHADMN CN(Cc1ccncc1)Cc1cccc(-c2cccnc2)c1 ZINC000183743411 329249992 /nfs/dbraw/zinc/24/99/92/329249992.db2.gz LEVMXFBAURMYTQ-UHFFFAOYSA-N 0 1 289.382 3.776 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2[C@@H](C)CC[C@@H]2C)s1 ZINC000183605958 329251281 /nfs/dbraw/zinc/25/12/81/329251281.db2.gz JDXAJJGVOACZKP-YUMQZZPRSA-N 0 1 278.343 3.843 20 0 CHADMN CC(C)C[C@H]1OCCC[C@@H]1NCc1csc(C(C)C)n1 ZINC000185192013 329267301 /nfs/dbraw/zinc/26/73/01/329267301.db2.gz FNWQJYIBUUKNSZ-LSDHHAIUSA-N 0 1 296.480 3.950 20 0 CHADMN CC(C)C[C@H]1OCCC[C@@H]1NCc1ncc(C(C)C)s1 ZINC000185200270 329267540 /nfs/dbraw/zinc/26/75/40/329267540.db2.gz DFFVDRMSQTUNMF-UONOGXRCSA-N 0 1 296.480 3.950 20 0 CHADMN CSCc1ccccc1NC(=O)c1cccc2cn[nH]c21 ZINC000185072341 329267746 /nfs/dbraw/zinc/26/77/46/329267746.db2.gz SJKJOTKUKXQBNQ-UHFFFAOYSA-N 0 1 297.383 3.678 20 0 CHADMN CC[N@@H+](Cc1nc(C)c(C)o1)[C@H]1CCCC[C@@H]1C ZINC000120067885 329270393 /nfs/dbraw/zinc/27/03/93/329270393.db2.gz KUDJDJSTXORQRS-FZMZJTMJSA-N 0 1 250.386 3.692 20 0 CHADMN CC[C@H](N[C@@H](C)c1n[nH]c(C)n1)c1ccc(Cl)cc1 ZINC000392332699 329270516 /nfs/dbraw/zinc/27/05/16/329270516.db2.gz DBYHNAMEZUEXDY-ZANVPECISA-N 0 1 278.787 3.568 20 0 CHADMN CC[C@@H](O)[C@H]1CCCCN1Cc1ccc(F)c(Cl)c1 ZINC000530336279 329274507 /nfs/dbraw/zinc/27/45/07/329274507.db2.gz AOBMVUJNTDAZFL-HUUCEWRRSA-N 0 1 285.790 3.605 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@H](C)c1cncnc1C ZINC000582914470 329288106 /nfs/dbraw/zinc/28/81/06/329288106.db2.gz GRDAKKIUAAYTOC-QWHCGFSZSA-N 0 1 287.432 3.919 20 0 CHADMN FCCN[C@@H]1CCc2c1cc(Cl)cc2Br ZINC000308922162 332851511 /nfs/dbraw/zinc/85/15/11/332851511.db2.gz JFRINVBUYMLVQL-LLVKDONJSA-N 0 1 292.579 3.649 20 0 CHADMN Cc1nnsc1CN(C)[C@@H](c1ccccc1)C(C)C ZINC000583028348 329304672 /nfs/dbraw/zinc/30/46/72/329304672.db2.gz MPKRMYFJULAUEZ-OAHLLOKOSA-N 0 1 275.421 3.676 20 0 CHADMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000583031067 329304956 /nfs/dbraw/zinc/30/49/56/329304956.db2.gz WZVODOGUOUHQSU-VXGBXAGGSA-N 0 1 293.382 3.923 20 0 CHADMN Fc1cncc(CN2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000583090142 329314295 /nfs/dbraw/zinc/31/42/95/329314295.db2.gz ZXNRCTONWPAVQW-AWEZNQCLSA-N 0 1 290.769 3.864 20 0 CHADMN C/C(=C\c1cccc(Cl)c1)c1nc(C2(N)CCC2)no1 ZINC000583144224 329321890 /nfs/dbraw/zinc/32/18/90/329321890.db2.gz WJCJLOBBGBIBOC-CSKARUKUSA-N 0 1 289.766 3.621 20 0 CHADMN CC(C)c1nc(CN[C@@H](C)CC(F)(F)F)c2ccccn21 ZINC000583147736 329322675 /nfs/dbraw/zinc/32/26/75/329322675.db2.gz RFPDCJNLHSJZSK-NSHDSACASA-N 0 1 299.340 3.888 20 0 CHADMN C[C@@H]1CN(CCc2cccc(Cl)c2)CCC1(F)F ZINC000459556469 329327937 /nfs/dbraw/zinc/32/79/37/329327937.db2.gz BHDZOBAEHKTFDW-LLVKDONJSA-N 0 1 273.754 3.860 20 0 CHADMN CC[C@H]1[C@H](C)CCN1Cc1nnc(Cc2ccccc2C)o1 ZINC000185676681 329328850 /nfs/dbraw/zinc/32/88/50/329328850.db2.gz NSEZZJYDPBSSMR-ZBFHGGJFSA-N 0 1 299.418 3.589 20 0 CHADMN CC[C@@H]1[C@H](C)CCN1Cc1nnc(Cc2ccccc2C)o1 ZINC000185676659 329328916 /nfs/dbraw/zinc/32/89/16/329328916.db2.gz NSEZZJYDPBSSMR-GDBMZVCRSA-N 0 1 299.418 3.589 20 0 CHADMN C[N@@H+](CCSCC(=O)C(C)(C)C)Cc1ccc(F)cc1 ZINC000185694160 329329163 /nfs/dbraw/zinc/32/91/63/329329163.db2.gz CBLOBEBFZHJGDQ-UHFFFAOYSA-N 0 1 297.439 3.606 20 0 CHADMN CN(CCSCC(=O)C(C)(C)C)Cc1ccc(F)cc1 ZINC000185694160 329329165 /nfs/dbraw/zinc/32/91/65/329329165.db2.gz CBLOBEBFZHJGDQ-UHFFFAOYSA-N 0 1 297.439 3.606 20 0 CHADMN Oc1cc(F)cc(CN2CCC[C@H]2c2cccs2)c1 ZINC000186162770 329338528 /nfs/dbraw/zinc/33/85/28/329338528.db2.gz LVCRUBWXHMDFGC-AWEZNQCLSA-N 0 1 277.364 3.930 20 0 CHADMN CCN(Cc1cc(O)cc(F)c1)[C@@H](C)c1cccc(O)c1 ZINC000186190706 329339298 /nfs/dbraw/zinc/33/92/98/329339298.db2.gz OLGYEFNSGAESMW-LBPRGKRZSA-N 0 1 289.350 3.820 20 0 CHADMN CCN(Cc1cc(O)cc(F)c1)[C@H](C)c1cccc(O)c1 ZINC000186190727 329339357 /nfs/dbraw/zinc/33/93/57/329339357.db2.gz OLGYEFNSGAESMW-GFCCVEGCSA-N 0 1 289.350 3.820 20 0 CHADMN Cc1nc([C@@H](C)N[C@H](C)c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000392448694 329340740 /nfs/dbraw/zinc/34/07/40/329340740.db2.gz GFSTUHBQJXADDN-HTQZYQBOSA-N 0 1 299.205 3.832 20 0 CHADMN Cc1cccc([C@H](C)[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC000532905052 329341476 /nfs/dbraw/zinc/34/14/76/329341476.db2.gz WOCISGSNGLMKRL-HNNXBMFYSA-N 0 1 297.398 3.959 20 0 CHADMN Cc1ccc(CCC2CCN(Cc3ccno3)CC2)cc1 ZINC000532908004 329347911 /nfs/dbraw/zinc/34/79/11/329347911.db2.gz JVYLLYQSTDNEKU-UHFFFAOYSA-N 0 1 284.403 3.828 20 0 CHADMN Cc1ncc(CN2CCc3c(C)cc(C)cc3C2)s1 ZINC000186734796 329348185 /nfs/dbraw/zinc/34/81/85/329348185.db2.gz HFVGDNZALURFCO-UHFFFAOYSA-N 0 1 272.417 3.627 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2ccc(C)nc2C)n1 ZINC000187181648 329354424 /nfs/dbraw/zinc/35/44/24/329354424.db2.gz MEMIIJSFVNAEJH-SFHVURJKSA-N 0 1 281.403 3.739 20 0 CHADMN Cn1ccnc1[C@@H](NCc1ccc(C2CC2)cc1)C1CC1 ZINC000188725444 329370799 /nfs/dbraw/zinc/37/07/99/329370799.db2.gz XPSPZIFZUPKASS-KRWDZBQOSA-N 0 1 281.403 3.538 20 0 CHADMN Cc1cc(C)c2c(c1)CN(Cc1cccnc1C)CC2 ZINC000188663223 329371686 /nfs/dbraw/zinc/37/16/86/329371686.db2.gz CKEKBYBVURWXBZ-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN COc1cccc(CN[C@@H]2CCOc3c(C)cccc32)c1 ZINC000188876099 329374100 /nfs/dbraw/zinc/37/41/00/329374100.db2.gz BMYNIAPCELVMQM-QGZVFWFLSA-N 0 1 283.371 3.617 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000188971385 329374644 /nfs/dbraw/zinc/37/46/44/329374644.db2.gz CWDHWVJSPCIKOO-LBPRGKRZSA-N 0 1 293.773 3.582 20 0 CHADMN Cc1cncc(CN2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000189948337 329390367 /nfs/dbraw/zinc/39/03/67/329390367.db2.gz ZXMVBYYAUWADLZ-UHFFFAOYSA-N 0 1 299.393 3.606 20 0 CHADMN FCCN[C@@H](c1ccc(Br)s1)C1CC1 ZINC000393683073 329412047 /nfs/dbraw/zinc/41/20/47/329412047.db2.gz MTSWODUFRPPUCE-SNVBAGLBSA-N 0 1 278.190 3.521 20 0 CHADMN C[C@@H](NCc1cc(Cl)cc(Cl)c1)c1cnn(C)c1 ZINC000310776723 329539600 /nfs/dbraw/zinc/53/96/00/329539600.db2.gz VXMMQEBWEJMPIW-SECBINFHSA-N 0 1 284.190 3.578 20 0 CHADMN CC(C)[C@H](NCCC(C)(C)C)c1nc(C2CC2)no1 ZINC000124603572 329571922 /nfs/dbraw/zinc/57/19/22/329571922.db2.gz FSDGPYKBIYRDEN-LBPRGKRZSA-N 0 1 265.401 3.670 20 0 CHADMN Cc1ccc([C@H](NCc2cncn2C)c2ccccc2)cc1 ZINC000237647509 329694685 /nfs/dbraw/zinc/69/46/85/329694685.db2.gz JLRONTAWORQFCN-LJQANCHMSA-N 0 1 291.398 3.608 20 0 CHADMN Cc1cnc([C@H](C)N[C@H]2CCO[C@@H](c3cccs3)C2)o1 ZINC000419295686 329715217 /nfs/dbraw/zinc/71/52/17/329715217.db2.gz ATVJMAQZCWUGFE-RWMBFGLXSA-N 0 1 292.404 3.615 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(C3CC3)cc2)ncn1 ZINC000419326438 329716729 /nfs/dbraw/zinc/71/67/29/329716729.db2.gz CIJXSFLZEZLQCR-CYBMUJFWSA-N 0 1 267.376 3.513 20 0 CHADMN COc1ncccc1CN[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419341648 329718567 /nfs/dbraw/zinc/71/85/67/329718567.db2.gz OMDJQPGFRORJKT-ZDUSSCGKSA-N 0 1 282.387 3.818 20 0 CHADMN CC1(C)CCC[C@H](c2noc(C34CCCN3CCC4)n2)C1 ZINC000420499043 329769987 /nfs/dbraw/zinc/76/99/87/329769987.db2.gz CJEYHDKRIRYJJR-ZDUSSCGKSA-N 0 1 289.423 3.838 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1nc(-c2ccsc2Cl)no1 ZINC000420503089 329771020 /nfs/dbraw/zinc/77/10/20/329771020.db2.gz MVPXEKUZRWPMSE-IUCAKERBSA-N 0 1 297.811 3.824 20 0 CHADMN CCC(CC)(CC)NCc1nc(Cc2ccccc2)no1 ZINC000086642511 332877098 /nfs/dbraw/zinc/87/70/98/332877098.db2.gz IMEKTRDFBYWSDL-UHFFFAOYSA-N 0 1 287.407 3.719 20 0 CHADMN Cc1cccn2cc(CNCc3cccc(C4CC4)c3)nc12 ZINC000421344722 329814589 /nfs/dbraw/zinc/81/45/89/329814589.db2.gz UNAIONJONBDBIJ-UHFFFAOYSA-N 0 1 291.398 3.810 20 0 CHADMN OC[C@H](NC1CC2(C1)CCCCC2)c1c(F)cccc1F ZINC000421362550 329823052 /nfs/dbraw/zinc/82/30/52/329823052.db2.gz JJUACTOFKCEIKM-HNNXBMFYSA-N 0 1 295.373 3.701 20 0 CHADMN C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCCC1 ZINC000066697068 329849484 /nfs/dbraw/zinc/84/94/84/329849484.db2.gz YSKMYXSXRGTWBH-JTQLQIEISA-N 0 1 277.755 3.547 20 0 CHADMN COc1cccc([C@H](C)NCc2c(C)nsc2C)c1 ZINC000565161551 329876665 /nfs/dbraw/zinc/87/66/65/329876665.db2.gz FQTHYYLCQOQVQS-JTQLQIEISA-N 0 1 276.405 3.619 20 0 CHADMN Cc1ccc2nc(CN3CCC(C)(C4CC4)CC3)cn2c1 ZINC000571690908 329905229 /nfs/dbraw/zinc/90/52/29/329905229.db2.gz PDFSRLXGRQUSDJ-UHFFFAOYSA-N 0 1 283.419 3.655 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2noc(-c3cccs3)n2)[C@H](C)C1 ZINC000571827098 329923689 /nfs/dbraw/zinc/92/36/89/329923689.db2.gz UQZDOLNGOPTJMI-IJLUTSLNSA-N 0 1 291.420 3.712 20 0 CHADMN OCCC[C@@H](NCc1ccccc1Cl)c1ccccc1 ZINC000077467684 329927372 /nfs/dbraw/zinc/92/73/72/329927372.db2.gz IFJWVEKMIAWWNE-QGZVFWFLSA-N 0 1 289.806 3.943 20 0 CHADMN Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CCCCC(=O)[O-])cc1 ZINC000262237712 330002238 /nfs/dbraw/zinc/00/22/38/330002238.db2.gz NJCNDDDVZLQKHV-IRXDYDNUSA-N 0 1 289.419 3.818 20 0 CHADMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccccc2)s1 ZINC000262271410 330003433 /nfs/dbraw/zinc/00/34/33/330003433.db2.gz TWAZUERSXJRDGO-UHFFFAOYSA-N 0 1 289.400 3.710 20 0 CHADMN CC(C)c1nc(CNC[C@H](C)C(F)(F)F)c2ccccn21 ZINC000572369514 330008733 /nfs/dbraw/zinc/00/87/33/330008733.db2.gz IQGZRVSTYPLMBD-NSHDSACASA-N 0 1 299.340 3.746 20 0 CHADMN CCC[C@H](C[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000263036903 330039920 /nfs/dbraw/zinc/03/99/20/330039920.db2.gz ICXDEDKIYMVARK-UAGQMJEPSA-N 0 1 289.419 3.613 20 0 CHADMN CC(C)[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CCCC1 ZINC000263136132 330045237 /nfs/dbraw/zinc/04/52/37/330045237.db2.gz DFOLLIJVEAEEED-UHFFFAOYSA-N 0 1 261.365 3.538 20 0 CHADMN C[C@@H]1CCC[C@@H](CC[N@H+]2CCC[C@H](CCC(=O)[O-])C2)C1 ZINC000263176670 330047525 /nfs/dbraw/zinc/04/75/25/330047525.db2.gz SSMYGYRATQFMMC-OWCLPIDISA-N 0 1 281.440 3.780 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263375644 330053166 /nfs/dbraw/zinc/05/31/66/330053166.db2.gz BTNMHNBPXLUJSU-KSSFIOAISA-N 0 1 295.382 3.763 20 0 CHADMN CC(C)C[C@@H](C[N@H+]1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000263418515 330054741 /nfs/dbraw/zinc/05/47/41/330054741.db2.gz OBGTZFMHWCUVTB-DLBZAZTESA-N 0 1 289.419 3.755 20 0 CHADMN Cc1ccccc1-c1cccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000263442834 330056004 /nfs/dbraw/zinc/05/60/04/330056004.db2.gz XAKQXBVJPDCYOX-QGZVFWFLSA-N 0 1 295.382 3.569 20 0 CHADMN Cc1ccc(-c2cccc(C[N@H+]3CCC[C@H]3C(=O)[O-])c2)cc1 ZINC000263443510 330056117 /nfs/dbraw/zinc/05/61/17/330056117.db2.gz XFCFJVBZTASJQF-SFHVURJKSA-N 0 1 295.382 3.711 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000263471863 330057238 /nfs/dbraw/zinc/05/72/38/330057238.db2.gz LPCRXEKZRSAJOK-QGZVFWFLSA-N 0 1 275.392 3.787 20 0 CHADMN C[N@@H+](CCCCc1ccccc1)Cc1cccc(C(=O)[O-])c1 ZINC000263483216 330057416 /nfs/dbraw/zinc/05/74/16/330057416.db2.gz OOAZRAJDMLIBLZ-UHFFFAOYSA-N 0 1 297.398 3.840 20 0 CHADMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(C3CCC3)cc1)C2 ZINC000263497742 330057995 /nfs/dbraw/zinc/05/79/95/330057995.db2.gz KABLPAQFVMNRTP-PKOBYXMFSA-N 0 1 299.414 3.641 20 0 CHADMN Cc1ccc(-c2ccc(C[N@H+]3CC[C@](C)(C(=O)[O-])C3)o2)cc1 ZINC000263532226 330059091 /nfs/dbraw/zinc/05/90/91/330059091.db2.gz XEVCGSBUHIJDMW-SFHVURJKSA-N 0 1 299.370 3.552 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000263572322 330059717 /nfs/dbraw/zinc/05/97/17/330059717.db2.gz KUVUHWHHVJLAFK-INIZCTEOSA-N 0 1 299.345 3.513 20 0 CHADMN Cc1ccccc1[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2)C1 ZINC000572413742 330065009 /nfs/dbraw/zinc/06/50/09/330065009.db2.gz RAHLIKSGAYDNHD-AEFFLSMTSA-N 0 1 295.382 3.610 20 0 CHADMN CCOc1ccc2nc(S[C@@H]3CCO[C@@H](C)C3)[nH]c2c1 ZINC000421824568 330083486 /nfs/dbraw/zinc/08/34/86/330083486.db2.gz JJCQUPSURYBNEP-CMPLNLGQSA-N 0 1 292.404 3.621 20 0 CHADMN C[C@@H](NCc1cccs1)c1ccncc1Cl ZINC000421814261 330085741 /nfs/dbraw/zinc/08/57/41/330085741.db2.gz JDDPNQQAOSFPHR-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN COc1cc(Cl)ccc1[C@@H](C)NCc1cnccc1C ZINC000421856498 330089328 /nfs/dbraw/zinc/08/93/28/330089328.db2.gz OBUZZMLYVTVTGF-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN COc1cc(Cl)ccc1[C@H](C)NC1CC(F)(F)C1 ZINC000421857882 330089540 /nfs/dbraw/zinc/08/95/40/330089540.db2.gz QKAJYBZDVKMKAS-QMMMGPOBSA-N 0 1 275.726 3.797 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccncc1Cl)c1ccncc1 ZINC000421837493 330092347 /nfs/dbraw/zinc/09/23/47/330092347.db2.gz SLVVKOVXXIGCEV-NHYWBVRUSA-N 0 1 275.783 3.932 20 0 CHADMN CCc1nc(CN[C@@H](C)C2(OC)CCCCC2)cs1 ZINC000421839056 330092722 /nfs/dbraw/zinc/09/27/22/330092722.db2.gz WGBRQVLMHVDUNK-LBPRGKRZSA-N 0 1 282.453 3.533 20 0 CHADMN C[C@@H](N[C@@H](C)Cc1ccc(F)cc1Cl)c1csnn1 ZINC000421849657 330096046 /nfs/dbraw/zinc/09/60/46/330096046.db2.gz CHIXSQYXYLVFBZ-DTWKUNHWSA-N 0 1 299.802 3.612 20 0 CHADMN COC1([C@@H](C)NCc2c(F)cc(F)cc2F)CCCC1 ZINC000421850291 330096101 /nfs/dbraw/zinc/09/61/01/330096101.db2.gz DBKHRHIPECCYTA-SNVBAGLBSA-N 0 1 287.325 3.541 20 0 CHADMN CCCn1cc(CN2CCC[C@H]2c2cccs2)cn1 ZINC000162698973 330108345 /nfs/dbraw/zinc/10/83/45/330108345.db2.gz UTEPJFVHEREPOA-AWEZNQCLSA-N 0 1 275.421 3.692 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CC[C@@H](C3CCCC3)C2)[nH]1 ZINC000421957465 330110333 /nfs/dbraw/zinc/11/03/33/330110333.db2.gz ZKPPRVVUCNMBJG-CQSZACIVSA-N 0 1 297.402 3.524 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(C)c(C)n2)cs1 ZINC000314819762 330128032 /nfs/dbraw/zinc/12/80/32/330128032.db2.gz QOKMDJMRHIPJKC-CYBMUJFWSA-N 0 1 260.406 3.919 20 0 CHADMN COc1ccc(C[C@@H](C)Nc2cc3c(cn2)CCC3)cc1 ZINC000580423762 330129655 /nfs/dbraw/zinc/12/96/55/330129655.db2.gz RTHOBOGXFOQIAC-CYBMUJFWSA-N 0 1 282.387 3.622 20 0 CHADMN CCc1cnc(C[N@@H+](C)[C@@H](C)Cc2cccc(F)c2)s1 ZINC000445410524 330140544 /nfs/dbraw/zinc/14/05/44/330140544.db2.gz FRPFPXAMXQVYSP-LBPRGKRZSA-N 0 1 292.423 3.908 20 0 CHADMN CCc1cnc(CN(C)[C@@H](C)Cc2cccc(F)c2)s1 ZINC000445410524 330140546 /nfs/dbraw/zinc/14/05/46/330140546.db2.gz FRPFPXAMXQVYSP-LBPRGKRZSA-N 0 1 292.423 3.908 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc3c2CCCN3)o1 ZINC000423414596 330197541 /nfs/dbraw/zinc/19/75/41/330197541.db2.gz NFWGTNXFVDRCLS-ZDUSSCGKSA-N 0 1 270.376 3.797 20 0 CHADMN C[C@H](N[C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1cccnc1 ZINC000423441688 330201800 /nfs/dbraw/zinc/20/18/00/330201800.db2.gz PNRVRGAHIIGBGY-BLLLJJGKSA-N 0 1 297.402 3.617 20 0 CHADMN C[C@H](N[C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccccn1 ZINC000423444891 330201990 /nfs/dbraw/zinc/20/19/90/330201990.db2.gz RNVBFIJGIXPRLW-BLLLJJGKSA-N 0 1 297.402 3.617 20 0 CHADMN Cc1cc(N)cc(CN[C@H](C)c2cccc(F)c2F)c1 ZINC000423487755 330206921 /nfs/dbraw/zinc/20/69/21/330206921.db2.gz XTHUKTDNONFBNH-LLVKDONJSA-N 0 1 276.330 3.706 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1cncc(C)c1 ZINC000536841235 330236058 /nfs/dbraw/zinc/23/60/58/330236058.db2.gz RYSSNVCUEYZRGB-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2cc(F)cc(F)c2)cn1 ZINC000397075396 330238450 /nfs/dbraw/zinc/23/84/50/330238450.db2.gz CLYGYDDODPODEC-GFCCVEGCSA-N 0 1 276.330 3.827 20 0 CHADMN Fc1cccc(Oc2ccc(CNCC3(F)CC3)cn2)c1 ZINC000527229897 330238681 /nfs/dbraw/zinc/23/86/81/330238681.db2.gz PBHXIONJXJSWGM-UHFFFAOYSA-N 0 1 290.313 3.605 20 0 CHADMN CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cccc([O-])c1Cl ZINC000399626382 330245307 /nfs/dbraw/zinc/24/53/07/330245307.db2.gz SYYSIICMQXMZFQ-JQWIXIFHSA-N 0 1 253.773 3.666 20 0 CHADMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1cccc([O-])c1Cl ZINC000399626382 330245308 /nfs/dbraw/zinc/24/53/08/330245308.db2.gz SYYSIICMQXMZFQ-JQWIXIFHSA-N 0 1 253.773 3.666 20 0 CHADMN Cc1cc(CN2[C@H](C)C[C@H]2C)c(OC(F)F)cc1C ZINC000527529473 330258020 /nfs/dbraw/zinc/25/80/20/330258020.db2.gz RMDFLDSPFQMHBZ-VXGBXAGGSA-N 0 1 269.335 3.888 20 0 CHADMN C[C@@H]1C[C@H](C)N1Cc1c(Cl)cccc1N1CCCC1 ZINC000527529435 330258129 /nfs/dbraw/zinc/25/81/29/330258129.db2.gz NVDWQJIMTWQOJP-BETUJISGSA-N 0 1 278.827 3.923 20 0 CHADMN C[C@H]1C[C@H](C)N1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000527529714 330258382 /nfs/dbraw/zinc/25/83/82/330258382.db2.gz WKBZUXYSAFXVQV-UWVGGRQHSA-N 0 1 291.288 3.750 20 0 CHADMN Cc1cc(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)ccn1 ZINC000527540919 330261158 /nfs/dbraw/zinc/26/11/58/330261158.db2.gz YMOUIQWPJJIARJ-WCQYABFASA-N 0 1 272.314 3.553 20 0 CHADMN Cc1cc(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)ccn1 ZINC000527540917 330261207 /nfs/dbraw/zinc/26/12/07/330261207.db2.gz YMOUIQWPJJIARJ-AAEUAGOBSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1cc(CN2C[C@@H](C)[C@@H]2c2ccccc2)ccn1 ZINC000527533704 330262833 /nfs/dbraw/zinc/26/28/33/330262833.db2.gz JLJZWRBNSBAENH-CXAGYDPISA-N 0 1 252.361 3.583 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2cccc(F)c2)ccn1 ZINC000527534969 330263211 /nfs/dbraw/zinc/26/32/11/330263211.db2.gz STGSCWWBHQTMRT-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cc(C)cc(OCCNCc2ccncc2Cl)c1 ZINC000527645949 330268908 /nfs/dbraw/zinc/26/89/08/330268908.db2.gz RJHGWGWNRAEIPZ-UHFFFAOYSA-N 0 1 290.794 3.520 20 0 CHADMN Clc1cnccc1CNCCOC1CCCCCC1 ZINC000527661113 330273510 /nfs/dbraw/zinc/27/35/10/330273510.db2.gz HPSZNVPFXLSQKH-UHFFFAOYSA-N 0 1 282.815 3.564 20 0 CHADMN C[C@H](N[C@@H]1CCc2cc(F)c(Cl)cc21)c1cnn(C)c1 ZINC000527870426 330286132 /nfs/dbraw/zinc/28/61/32/330286132.db2.gz SDWKIRSUOLJFNJ-BJOHPYRUSA-N 0 1 293.773 3.551 20 0 CHADMN Cc1cccc(CN[C@@H]2CCc3cc(F)c(Cl)cc32)n1 ZINC000527850552 330288331 /nfs/dbraw/zinc/28/83/31/330288331.db2.gz OHZBWCQPIAQCDW-MRXNPFEDSA-N 0 1 290.769 3.960 20 0 CHADMN CC[C@@H](N[C@H](C)c1nccn1C)c1cc(C)ccc1C ZINC000527909495 330290509 /nfs/dbraw/zinc/29/05/09/330290509.db2.gz BJHNMGNEXAVUCC-GDBMZVCRSA-N 0 1 271.408 3.839 20 0 CHADMN Cc1nnsc1CN[C@H](C)c1cccc(C(C)C)c1 ZINC000527902339 330293685 /nfs/dbraw/zinc/29/36/85/330293685.db2.gz OHSVYBMUVDSUJZ-LLVKDONJSA-N 0 1 275.421 3.821 20 0 CHADMN CC(C)Cc1ccccc1CN[C@H](c1nccn1C)C1CC1 ZINC000527921231 330295875 /nfs/dbraw/zinc/29/58/75/330295875.db2.gz QLJHCKDRZPAKFR-SFHVURJKSA-N 0 1 297.446 3.860 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1cccnc1C ZINC000527988152 330299060 /nfs/dbraw/zinc/29/90/60/330299060.db2.gz RQOUIICNZNLAQH-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CCC[C@H](NCc1ccc2cn(C)nc2c1)c1ccccn1 ZINC000527960733 330300589 /nfs/dbraw/zinc/30/05/89/330300589.db2.gz DVSLXVSMDASLQR-INIZCTEOSA-N 0 1 294.402 3.599 20 0 CHADMN C[C@H](N[C@@H](c1ccccn1)C1CCC1)c1cccnc1 ZINC000527967201 330301240 /nfs/dbraw/zinc/30/12/40/330301240.db2.gz MRZUQSIYZOCTTN-SUMWQHHRSA-N 0 1 267.376 3.669 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](c2ccccn2)C2CCC2)c(C)n1 ZINC000527966916 330301313 /nfs/dbraw/zinc/30/13/13/330301313.db2.gz LUOSLLBTDORNAZ-ACJLOTCBSA-N 0 1 296.418 3.680 20 0 CHADMN CC(C)n1cncc1CN[C@H]1CCc2c1cccc2Cl ZINC000424155179 330302032 /nfs/dbraw/zinc/30/20/32/330302032.db2.gz MIFXFLHJFOJGTP-INIZCTEOSA-N 0 1 289.810 3.895 20 0 CHADMN CCCCO[C@H]1C[C@@H](N[C@@H](C)c2ncccc2F)C1(C)C ZINC000528036455 330302992 /nfs/dbraw/zinc/30/29/92/330302992.db2.gz SRSUHMKWUUNSCB-CFVMTHIKSA-N 0 1 294.414 3.855 20 0 CHADMN Cc1cc([C@@H](C)NC[C@H]2CC[N@@H+]2C2CCCC2)c(C)o1 ZINC000528007700 330303592 /nfs/dbraw/zinc/30/35/92/330303592.db2.gz BVDLGUXJSRKSMN-CZUORRHYSA-N 0 1 276.424 3.564 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cs1 ZINC000528010548 330303935 /nfs/dbraw/zinc/30/39/35/330303935.db2.gz ZHPMYNYEARFWNX-MOWSAHLDSA-N 0 1 282.453 3.729 20 0 CHADMN CC(C)n1cncc1CNc1ccc2cnccc2c1 ZINC000424178814 330318278 /nfs/dbraw/zinc/31/82/78/330318278.db2.gz XMBLCMVIBQLHEI-UHFFFAOYSA-N 0 1 266.348 3.624 20 0 CHADMN COc1ccc([C@@H]2CCCN2C/C=C(/C)Cl)cc1OC ZINC000528340169 330319673 /nfs/dbraw/zinc/31/96/73/330319673.db2.gz JLXUQRMUWGDCST-UNJUUPHPSA-N 0 1 295.810 3.983 20 0 CHADMN CC(C)n1cncc1CNC(C)(C)c1ccccc1F ZINC000424184152 330320190 /nfs/dbraw/zinc/32/01/90/330320190.db2.gz XECFFHHWTXPBFG-UHFFFAOYSA-N 0 1 275.371 3.628 20 0 CHADMN CCc1ccccc1NC(=O)CN(C)CC1CC(C)(C)C1 ZINC000528353797 330321612 /nfs/dbraw/zinc/32/16/12/330321612.db2.gz ZLDOIXOGJLKYRU-UHFFFAOYSA-N 0 1 288.435 3.556 20 0 CHADMN COCc1cccc(CN[C@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000424189336 330322305 /nfs/dbraw/zinc/32/23/05/330322305.db2.gz DGUXRIDDCRKHCB-ZWKOTPCHSA-N 0 1 285.362 3.560 20 0 CHADMN C/C(Cl)=C\CN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000528361472 330322411 /nfs/dbraw/zinc/32/24/11/330322411.db2.gz AGUZJTPISSEBRL-SBKJXLNCSA-N 0 1 270.829 3.774 20 0 CHADMN CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC(C)(C)C ZINC000532957748 330323053 /nfs/dbraw/zinc/32/30/53/330323053.db2.gz WPHSCPZDCLESEO-INIZCTEOSA-N 0 1 290.451 3.574 20 0 CHADMN CCN(CC)C(=O)[C@H](c1ccccc1)N(C)CC(C)(C)C ZINC000532957748 330323054 /nfs/dbraw/zinc/32/30/54/330323054.db2.gz WPHSCPZDCLESEO-INIZCTEOSA-N 0 1 290.451 3.574 20 0 CHADMN CC[C@]1(C)CCN(Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000533023384 330324593 /nfs/dbraw/zinc/32/45/93/330324593.db2.gz OLYZGYVRVPKXPT-MRXNPFEDSA-N 0 1 291.826 3.849 20 0 CHADMN c1c[nH]c([C@@H](NC[C@@H]2C[C@H]2C2CCC2)c2ccccc2)n1 ZINC000424288408 330334259 /nfs/dbraw/zinc/33/42/59/330334259.db2.gz IUBJRSVSLJHFTA-ULQDDVLXSA-N 0 1 281.403 3.525 20 0 CHADMN C[C@H]1CCC[C@H](Cc2nc(C3(N)CCCCC3)no2)C1 ZINC000424340728 330344016 /nfs/dbraw/zinc/34/40/16/330344016.db2.gz HGJSKWDTMCFRNO-STQMWFEESA-N 0 1 277.412 3.557 20 0 CHADMN Cc1ccccc1C(C)(C)c1nc(C2(N)CCCCC2)no1 ZINC000424340720 330344077 /nfs/dbraw/zinc/34/40/77/330344077.db2.gz HFIASZWWWBHUQC-UHFFFAOYSA-N 0 1 299.418 3.822 20 0 CHADMN C/C=C(/C=C\c1nc(C2(N)CCCCC2)no1)CC ZINC000424345081 330344580 /nfs/dbraw/zinc/34/45/80/330344580.db2.gz MOUMNKHXAKBACE-MIFLFFNBSA-N 0 1 261.369 3.557 20 0 CHADMN CCc1cc(-c2nc(C3(N)CCCCC3)no2)sc1C ZINC000424346619 330344813 /nfs/dbraw/zinc/34/48/13/330344813.db2.gz POMQMLKAKYYRIR-UHFFFAOYSA-N 0 1 291.420 3.787 20 0 CHADMN CCC[C@@](C)(CC)c1nc(C2(N)CCCCC2)no1 ZINC000424348278 330345011 /nfs/dbraw/zinc/34/50/11/330345011.db2.gz UCFUDKKXSIIWFF-CQSZACIVSA-N 0 1 265.401 3.656 20 0 CHADMN [O-]c1cccnc1C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000580498232 330351002 /nfs/dbraw/zinc/35/10/02/330351002.db2.gz DSTPUKCVOQPRSL-UHFFFAOYSA-N 0 1 282.387 3.590 20 0 CHADMN [O-]c1cccnc1C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000580498232 330351003 /nfs/dbraw/zinc/35/10/03/330351003.db2.gz DSTPUKCVOQPRSL-UHFFFAOYSA-N 0 1 282.387 3.590 20 0 CHADMN C[C@@H]1CCC[N@@H+](CCC2CCCCCC2)[C@@H]1C(=O)[O-] ZINC000424423287 330351591 /nfs/dbraw/zinc/35/15/91/330351591.db2.gz UVBDRRYUAJSQIQ-HIFRSBDPSA-N 0 1 267.413 3.532 20 0 CHADMN CN1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000082335588 330354292 /nfs/dbraw/zinc/35/42/92/330354292.db2.gz LSRMLPOVGCGEQF-QGZVFWFLSA-N 0 1 296.370 3.512 20 0 CHADMN C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H](c2ccccc2)O1 ZINC000533246877 330355172 /nfs/dbraw/zinc/35/51/72/330355172.db2.gz ZPMMSRGATUMCBO-APWZRJJASA-N 0 1 281.399 3.691 20 0 CHADMN C[C@@H](NCC(=O)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000057382212 330374674 /nfs/dbraw/zinc/37/46/74/330374674.db2.gz VSRIQFOQIHLILQ-GFCCVEGCSA-N 0 1 288.778 3.629 20 0 CHADMN Cc1ncsc1CN[C@H](C)c1ccc(C)c(F)c1 ZINC000088255110 330375071 /nfs/dbraw/zinc/37/50/71/330375071.db2.gz MIFMEXXVUFECRX-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN CC(C)(C)[C@@H]1CCCC[C@@H]1NCc1nnsc1Cl ZINC000119468104 330375607 /nfs/dbraw/zinc/37/56/07/330375607.db2.gz ADPCIVKJTSSTIM-ZJUUUORDSA-N 0 1 287.860 3.886 20 0 CHADMN Cc1csc(CN2CCC[C@@H]2Cc2cccc(F)c2)n1 ZINC000088578383 330377481 /nfs/dbraw/zinc/37/74/81/330377481.db2.gz KXFGWXFPEKYBKE-OAHLLOKOSA-N 0 1 290.407 3.798 20 0 CHADMN Cc1csc(CN(C)[C@@H](C)Cc2ccc(C)cc2)n1 ZINC000088600952 330377874 /nfs/dbraw/zinc/37/78/74/330377874.db2.gz FACQXUHQUUZLMM-AWEZNQCLSA-N 0 1 274.433 3.823 20 0 CHADMN C[C@H](c1nc2ccccc2s1)N(C)CCc1ccccn1 ZINC000057677426 330378239 /nfs/dbraw/zinc/37/82/39/330378239.db2.gz XEOBYCARKWWUJY-CYBMUJFWSA-N 0 1 297.427 3.927 20 0 CHADMN CC[C@@H](NCc1ccncc1Cl)c1ccccc1 ZINC000088781375 330378675 /nfs/dbraw/zinc/37/86/75/330378675.db2.gz VUCAFZZMCYAZEX-OAHLLOKOSA-N 0 1 260.768 3.976 20 0 CHADMN CSCc1cc(F)ccc1CNCc1ccco1 ZINC000088751911 330378716 /nfs/dbraw/zinc/37/87/16/330378716.db2.gz POYUKLHXIBMRCR-UHFFFAOYSA-N 0 1 265.353 3.572 20 0 CHADMN FC(F)(F)c1cccc(CNCc2ccoc2)c1 ZINC000057998211 330381667 /nfs/dbraw/zinc/38/16/67/330381667.db2.gz PQUFLWGBLCTYFM-UHFFFAOYSA-N 0 1 255.239 3.588 20 0 CHADMN C[C@]1(NCc2cc(C(F)(F)F)ccc2Cl)CCOC1 ZINC000120199334 330386141 /nfs/dbraw/zinc/38/61/41/330386141.db2.gz BTUKPQYRGRXIIX-LBPRGKRZSA-N 0 1 293.716 3.627 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN(C)[C@@H]1CCSC1 ZINC000089937410 330388915 /nfs/dbraw/zinc/38/89/15/330388915.db2.gz MVZBTXHKVISJEC-GFCCVEGCSA-N 0 1 294.445 3.649 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN(C)[C@H]1CCSC1 ZINC000089936423 330389026 /nfs/dbraw/zinc/38/90/26/330389026.db2.gz VWCIUQLGKBUYDJ-NSHDSACASA-N 0 1 294.445 3.649 20 0 CHADMN CN(CCC1CCOCC1)Cc1nc(C(C)(C)C)cs1 ZINC000120598927 330390557 /nfs/dbraw/zinc/39/05/57/330390557.db2.gz QOYITBYLDGUTCA-UHFFFAOYSA-N 0 1 296.480 3.689 20 0 CHADMN CC[C@@H]1CCCN(CC(=O)Nc2ccccc2C(C)C)C1 ZINC000120698868 330391749 /nfs/dbraw/zinc/39/17/49/330391749.db2.gz JFDCXZLQTXZJGG-OAHLLOKOSA-N 0 1 288.435 3.871 20 0 CHADMN C[C@H](NCCOCc1ccc(Cl)cc1)c1nccs1 ZINC000090806186 330396294 /nfs/dbraw/zinc/39/62/94/330396294.db2.gz YDJGXYWTPMNNFK-NSHDSACASA-N 0 1 296.823 3.664 20 0 CHADMN CC(C)[C@@H](C)CN[C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000537190249 330413383 /nfs/dbraw/zinc/41/33/83/330413383.db2.gz XZYKCQFJPQEUOG-SUMWQHHRSA-N 0 1 289.398 3.530 20 0 CHADMN Cc1ccc2nc(CN3CCC4(CCCC4)CC3)cn2c1 ZINC000515680482 330480941 /nfs/dbraw/zinc/48/09/41/330480941.db2.gz LUNONYOPMBPWIC-UHFFFAOYSA-N 0 1 283.419 3.799 20 0 CHADMN C[C@@H]1CC[C@@H](NC(=O)c2ccc(O)c(Cl)c2)C[C@@H]1C ZINC000085060541 330488157 /nfs/dbraw/zinc/48/81/57/330488157.db2.gz YEZQNOAEDFNZFI-JFGNBEQYSA-N 0 1 281.783 3.600 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CCC(OC(C)(C)C)CC1 ZINC000428389254 330522189 /nfs/dbraw/zinc/52/21/89/330522189.db2.gz PTNZASWSOIVIMR-UHFFFAOYSA-N 0 1 294.439 3.886 20 0 CHADMN C[C@@H](N[C@H](CO)CC(F)F)c1ccc(Cl)cc1Cl ZINC000429460072 330547491 /nfs/dbraw/zinc/54/74/91/330547491.db2.gz ZPQJUAOIZPAMII-APPZFPTMSA-N 0 1 298.160 3.660 20 0 CHADMN CSC1(CN[C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000433052912 330614836 /nfs/dbraw/zinc/61/48/36/330614836.db2.gz NFEWRPLIKZLISS-SSDOTTSWSA-N 0 1 296.383 3.708 20 0 CHADMN Clc1cccc(CNCc2ccc(-c3cc[nH]n3)o2)c1 ZINC000433311780 330625103 /nfs/dbraw/zinc/62/51/03/330625103.db2.gz NNTDGNMRVZGLTK-UHFFFAOYSA-N 0 1 287.750 3.613 20 0 CHADMN C[C@H](CCC1CC1)NCc1ncc(C(F)(F)F)s1 ZINC000433322491 330626104 /nfs/dbraw/zinc/62/61/04/330626104.db2.gz XUJCBRANDBQJDZ-MRVPVSSYSA-N 0 1 278.343 3.830 20 0 CHADMN O=C(NCCCCF)c1cc(Cl)c2ccccc2c1O ZINC000436643635 330682075 /nfs/dbraw/zinc/68/20/75/330682075.db2.gz XZZDNWYEIMOVPX-UHFFFAOYSA-N 0 1 295.741 3.678 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCC[C@H](c2ccccc2)C1 ZINC000436853196 330686800 /nfs/dbraw/zinc/68/68/00/330686800.db2.gz QPNBRSQYPIHHOJ-AWEZNQCLSA-N 0 1 299.345 3.551 20 0 CHADMN C[C@H](NCCc1ccccn1)c1ncc(-c2ccccc2)o1 ZINC000439557747 330740493 /nfs/dbraw/zinc/74/04/93/330740493.db2.gz OHCJOBHUARJTNV-AWEZNQCLSA-N 0 1 293.370 3.630 20 0 CHADMN CC[C@H](F)CN[C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000440780822 330756294 /nfs/dbraw/zinc/75/62/94/330756294.db2.gz HZZRVOHHKSQTNX-JSGCOSHPSA-N 0 1 283.387 3.881 20 0 CHADMN CCCOc1ccc([C@H](C)NC[C@H](F)CC)cc1OC ZINC000440787209 330756457 /nfs/dbraw/zinc/75/64/57/330756457.db2.gz VBRPTPDFVFWCJG-GXTWGEPZSA-N 0 1 283.387 3.883 20 0 CHADMN COc1cccc(CN[C@H](C)c2cccc(C)c2)c1OC ZINC000157215936 330771231 /nfs/dbraw/zinc/77/12/31/330771231.db2.gz HRGLTXZMIRXVCW-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN CC[C@H](NCc1cc(F)cc(F)c1)c1ccncc1 ZINC000162876726 330773672 /nfs/dbraw/zinc/77/36/72/330773672.db2.gz JAIZYRMQUUEVFL-HNNXBMFYSA-N 0 1 262.303 3.601 20 0 CHADMN C=Cn1cc(CN[C@H](C)c2cccc(OC(C)C)c2)cn1 ZINC000194346674 330841880 /nfs/dbraw/zinc/84/18/80/330841880.db2.gz AOLGYLQVYRRUMQ-CQSZACIVSA-N 0 1 285.391 3.622 20 0 CHADMN C[C@H](NCCc1cc(Cl)cc(Cl)c1)c1ccon1 ZINC000447308887 330864210 /nfs/dbraw/zinc/86/42/10/330864210.db2.gz IRDLBZLYRKFKPI-VIFPVBQESA-N 0 1 285.174 3.875 20 0 CHADMN CCc1ccc([C@@H](CO)N[C@H]2CCCc3occc32)cc1 ZINC000447575466 330870674 /nfs/dbraw/zinc/87/06/74/330870674.db2.gz SWAAQXYNYGHIMR-DLBZAZTESA-N 0 1 285.387 3.543 20 0 CHADMN Fc1cc2c(c(F)c1F)[C@@H](NCc1ccccc1)CC2 ZINC000449060927 330896297 /nfs/dbraw/zinc/89/62/97/330896297.db2.gz FHFILVALSDKHDD-ZDUSSCGKSA-N 0 1 277.289 3.881 20 0 CHADMN Fc1cc2c(c(F)c1F)[C@H](NCc1cccs1)CC2 ZINC000449062619 330896341 /nfs/dbraw/zinc/89/63/41/330896341.db2.gz YZGCGSKLBMEOLD-LLVKDONJSA-N 0 1 283.318 3.943 20 0 CHADMN CC(C)c1ccccc1OCCNCc1ccncc1F ZINC000449153839 330902062 /nfs/dbraw/zinc/90/20/62/330902062.db2.gz GBTQNYKOSPSRDY-UHFFFAOYSA-N 0 1 288.366 3.513 20 0 CHADMN COc1cc(C)ccc1CN[C@@H]1CCOc2c(C)cccc21 ZINC000449278401 330911356 /nfs/dbraw/zinc/91/13/56/330911356.db2.gz JCRSIOGBQVSPAV-QGZVFWFLSA-N 0 1 297.398 3.925 20 0 CHADMN C[C@@H](Cc1ccoc1)N[C@H]1COc2cccc(Cl)c21 ZINC000449328760 330915018 /nfs/dbraw/zinc/91/50/18/330915018.db2.gz KZWHZMHJZLLWCU-GWCFXTLKSA-N 0 1 277.751 3.587 20 0 CHADMN Fc1c(Br)cccc1CN[C@H]1CCC[C@H]1F ZINC000449344564 330916643 /nfs/dbraw/zinc/91/66/43/330916643.db2.gz RPFDMTKEQXXEKH-MNOVXSKESA-N 0 1 290.151 3.568 20 0 CHADMN CC[C@H](N[C@H]1CCc2[nH]c3ccc(C)cc3c2C1)C(F)F ZINC000449359394 330918572 /nfs/dbraw/zinc/91/85/72/330918572.db2.gz HSLWHNXXCPRFHK-FZMZJTMJSA-N 0 1 292.373 3.967 20 0 CHADMN Cc1cc(CN2CC3(CC3)C2)ccc1Oc1cccnc1 ZINC000449370332 330919461 /nfs/dbraw/zinc/91/94/61/330919461.db2.gz JUBVVRYFPXCXPT-UHFFFAOYSA-N 0 1 280.371 3.778 20 0 CHADMN FC1(F)CCCC[C@H]1CNCc1csc(C2CC2)n1 ZINC000449376321 330920568 /nfs/dbraw/zinc/92/05/68/330920568.db2.gz LKLUAHFTAXBYMF-NSHDSACASA-N 0 1 286.391 3.936 20 0 CHADMN C[C@H](CCc1ccc(OC(F)F)cc1)NC(CF)CF ZINC000449382042 330921064 /nfs/dbraw/zinc/92/10/64/330921064.db2.gz UYQKTUGQERNWEN-SNVBAGLBSA-N 0 1 293.304 3.506 20 0 CHADMN C[C@@H](NCCCCCOc1ccccc1)C(C)(F)F ZINC000449412978 330923627 /nfs/dbraw/zinc/92/36/27/330923627.db2.gz HAWCBKWRARPBGE-CYBMUJFWSA-N 0 1 271.351 3.869 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H](c2cccnc2)C1)C(C)(F)F ZINC000449417289 330924123 /nfs/dbraw/zinc/92/41/23/330924123.db2.gz XOWXSPOAYJFYKN-OUCADQQQSA-N 0 1 268.351 3.741 20 0 CHADMN C[C@@H](NCc1nn(C)cc1Cl)C1CCCCCC1 ZINC000449481148 330929368 /nfs/dbraw/zinc/92/93/68/330929368.db2.gz RCXJBUNWJJGYOX-LLVKDONJSA-N 0 1 269.820 3.522 20 0 CHADMN Cc1ccncc1CNCc1ccc(C(F)(F)F)s1 ZINC000449525665 330933909 /nfs/dbraw/zinc/93/39/09/330933909.db2.gz SRMIVSQRKBHYJX-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CO[C@@H]1CCC[C@H]1NCc1csc(-c2cccs2)n1 ZINC000449526303 330933972 /nfs/dbraw/zinc/93/39/72/330933972.db2.gz ZGUCECXPBZZCIY-VXGBXAGGSA-N 0 1 294.445 3.529 20 0 CHADMN CC(C)C[C@@H](C)CNCc1noc(-c2cccs2)n1 ZINC000449558936 330936462 /nfs/dbraw/zinc/93/64/62/330936462.db2.gz YVQYSZAPYITHRY-LLVKDONJSA-N 0 1 279.409 3.570 20 0 CHADMN CCc1cnc(CNC2(Cc3ccc(F)cc3)CC2)s1 ZINC000449564171 330937340 /nfs/dbraw/zinc/93/73/40/330937340.db2.gz BZRPKKJURZBZGX-UHFFFAOYSA-N 0 1 290.407 3.710 20 0 CHADMN CCc1ncc(CN[C@@H](c2ccc(C)cc2)C2CC2)o1 ZINC000449611953 330939731 /nfs/dbraw/zinc/93/97/31/330939731.db2.gz ZTTATOQFAGUGPM-KRWDZBQOSA-N 0 1 270.376 3.786 20 0 CHADMN CCC1(NCc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000379720740 330945400 /nfs/dbraw/zinc/94/54/00/330945400.db2.gz BENSZTULWYBQSY-UHFFFAOYSA-N 0 1 276.380 3.981 20 0 CHADMN CCC[C@H](CC(C)C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000450046389 330959637 /nfs/dbraw/zinc/95/96/37/330959637.db2.gz RSSQGAVKDKGTEV-OAHLLOKOSA-N 0 1 291.439 3.544 20 0 CHADMN C[C@@H]1CCC[C@@H](NCc2nc(C3CCCC3)no2)[C@@H]1C ZINC000163003983 330974480 /nfs/dbraw/zinc/97/44/80/330974480.db2.gz CMHIQDWWPPQFLZ-YRGRVCCFSA-N 0 1 277.412 3.642 20 0 CHADMN Cc1cc2nc(N3CCc4cnccc43)oc2c(C)c1 ZINC000450370328 330974928 /nfs/dbraw/zinc/97/49/28/330974928.db2.gz XKWJQDHHMYOTQL-UHFFFAOYSA-N 0 1 265.316 3.534 20 0 CHADMN C[C@@H]1CCC[C@]1(C)C(=O)Nc1cccc(Cl)c1O ZINC000450410358 330977201 /nfs/dbraw/zinc/97/72/01/330977201.db2.gz MSGANJRRKJZYDN-OTYXRUKQSA-N 0 1 267.756 3.810 20 0 CHADMN C[C@H](N[C@@H](C)C(C)(C)c1ccccc1)c1csnn1 ZINC000450668436 330992207 /nfs/dbraw/zinc/99/22/07/330992207.db2.gz ORTGPATZACOOAI-RYUDHWBXSA-N 0 1 275.421 3.555 20 0 CHADMN Cc1cnc([C@@H](NCC2=CCCCC2)C2CC2)s1 ZINC000450724587 330996040 /nfs/dbraw/zinc/99/60/40/330996040.db2.gz GQSXWZYEBYGTCU-AWEZNQCLSA-N 0 1 262.422 3.993 20 0 CHADMN Cc1ccccc1[C@]1(F)CCN(CC2CCC(=O)CC2)C1 ZINC000450922690 331007308 /nfs/dbraw/zinc/00/73/08/331007308.db2.gz AQCKJORCBSXDIG-SFHVURJKSA-N 0 1 289.394 3.625 20 0 CHADMN C[C@@]1(C(=O)Nc2cc(F)cc(Cl)c2O)CC=CCC1 ZINC000450952627 331008516 /nfs/dbraw/zinc/00/85/16/331008516.db2.gz USOPDKJKNXAICK-CQSZACIVSA-N 0 1 283.730 3.870 20 0 CHADMN FC(F)C1(NCC2CC(F)(F)C2)CCCCC1 ZINC000450981738 331010063 /nfs/dbraw/zinc/01/00/63/331010063.db2.gz YUZNSRFYFYHKRF-UHFFFAOYSA-N 0 1 253.283 3.589 20 0 CHADMN Cc1noc([C@H]2CCCN2CC/C=C/c2ccccc2)n1 ZINC000451008215 331011530 /nfs/dbraw/zinc/01/15/30/331011530.db2.gz LPAQTBXUFHDYFV-ZWIJEDICSA-N 0 1 283.375 3.618 20 0 CHADMN COc1cc([C@@H](C)NCc2c(C)cccc2Cl)ccn1 ZINC000451026420 331012427 /nfs/dbraw/zinc/01/24/27/331012427.db2.gz FDJCEYXBEDGAEX-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CCc1nocc1CN(C)CC/C=C/c1ccccc1 ZINC000451071043 331014839 /nfs/dbraw/zinc/01/48/39/331014839.db2.gz KBKINTFHHUNQPJ-YRNVUSSQSA-N 0 1 270.376 3.772 20 0 CHADMN Cc1oncc1CN[C@@H](C)c1cccc(C2CC2)c1 ZINC000451117010 331016147 /nfs/dbraw/zinc/01/61/47/331016147.db2.gz SCTKKAUBOCPXKR-NSHDSACASA-N 0 1 256.349 3.711 20 0 CHADMN C[C@]1(F)CCCN([C@H]2CCc3ccc(F)cc32)C1 ZINC000451115960 331016198 /nfs/dbraw/zinc/01/61/98/331016198.db2.gz QCTCFUXNPPDLJM-GJZGRUSLSA-N 0 1 251.320 3.637 20 0 CHADMN Fc1cc(Cl)c2c(c1)CN(CCC1CCOCC1)CC2 ZINC000451158900 331018113 /nfs/dbraw/zinc/01/81/13/331018113.db2.gz ADFFDHRFKPJPQG-UHFFFAOYSA-N 0 1 297.801 3.654 20 0 CHADMN C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](F)C1 ZINC000451191876 331019794 /nfs/dbraw/zinc/01/97/94/331019794.db2.gz SCEIJVZLNIZPJZ-BXKDBHETSA-N 0 1 261.262 3.810 20 0 CHADMN c1[nH]c(CNCC2=CCCCC2)nc1-c1ccccc1 ZINC000451194522 331020005 /nfs/dbraw/zinc/02/00/05/331020005.db2.gz YXUFPINZLNOABR-UHFFFAOYSA-N 0 1 267.376 3.667 20 0 CHADMN COC[C@]1(C)CCN([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000451197567 331020143 /nfs/dbraw/zinc/02/01/43/331020143.db2.gz CTDIEEYUIKPTNV-XHDPSFHLSA-N 0 1 285.790 3.899 20 0 CHADMN CS[C@@H]1CCN(Cc2nc(-c3ccccc3)oc2C)C1 ZINC000451318866 331024231 /nfs/dbraw/zinc/02/42/31/331024231.db2.gz XPPQHNHUTRUNIR-CQSZACIVSA-N 0 1 288.416 3.587 20 0 CHADMN CC(C)(C)c1cnc(CN[C@@H]2CCC23CCCC3)o1 ZINC000451452581 331030015 /nfs/dbraw/zinc/03/00/15/331030015.db2.gz DJLBMBDHFWUDCF-GFCCVEGCSA-N 0 1 262.397 3.785 20 0 CHADMN CC(C)O[C@@H]1C[C@@H](NCc2cc(C(C)(C)C)on2)C1(C)C ZINC000451497562 331031546 /nfs/dbraw/zinc/03/15/46/331031546.db2.gz LGNHRHRTMYLAKZ-UKRRQHHQSA-N 0 1 294.439 3.654 20 0 CHADMN CO[C@@H]1CCN(CCc2c(F)cccc2Cl)CC1(C)C ZINC000451552406 331033947 /nfs/dbraw/zinc/03/39/47/331033947.db2.gz MSEXSXUDDDBOAL-OAHLLOKOSA-N 0 1 299.817 3.769 20 0 CHADMN CC1(C)COC[C@@H]1NCc1nc(C2CCCCC2)cs1 ZINC000451815759 331043605 /nfs/dbraw/zinc/04/36/05/331043605.db2.gz XFUQVBUAKCJRAY-AWEZNQCLSA-N 0 1 294.464 3.705 20 0 CHADMN Cc1ncsc1CCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451837511 331044294 /nfs/dbraw/zinc/04/42/94/331044294.db2.gz MAFCMUPHXOJTPZ-OAHLLOKOSA-N 0 1 288.416 3.814 20 0 CHADMN O=C1CCC(CN2CCC[C@H]2c2ccc(F)cc2F)CC1 ZINC000451974883 331049259 /nfs/dbraw/zinc/04/92/59/331049259.db2.gz UDRVCNNVMXJUBQ-KRWDZBQOSA-N 0 1 293.357 3.861 20 0 CHADMN Cc1oncc1CN1CCC[C@H]1c1ccc(F)cc1C ZINC000451990082 331049502 /nfs/dbraw/zinc/04/95/02/331049502.db2.gz LOWWKFFXXOFGDH-INIZCTEOSA-N 0 1 274.339 3.768 20 0 CHADMN Cc1sc(NC(=O)CN2[C@H](C)CCC2(C)C)c(C)c1C ZINC000452009989 331050262 /nfs/dbraw/zinc/05/02/62/331050262.db2.gz QDQFFARKZYQALT-SNVBAGLBSA-N 0 1 294.464 3.875 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@]2(C)CCC[C@H]2C)c1 ZINC000452194309 331057994 /nfs/dbraw/zinc/05/79/94/331057994.db2.gz LFZDRPSAXLIKJE-DIFFPNOSSA-N 0 1 289.375 3.750 20 0 CHADMN O=C(Nc1ccc2cc[nH]c2c1)c1ccc(O)c(Cl)c1 ZINC000194807353 331059321 /nfs/dbraw/zinc/05/93/21/331059321.db2.gz YCDVREOEWOTXMF-UHFFFAOYSA-N 0 1 286.718 3.779 20 0 CHADMN CCCOc1ccc([C@@H](C)N[C@@H](C)c2ccncn2)cc1 ZINC000453094983 331088613 /nfs/dbraw/zinc/08/86/13/331088613.db2.gz UKRBFMXCHUBJDZ-KGLIPLIRSA-N 0 1 285.391 3.677 20 0 CHADMN C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccncn1 ZINC000453116743 331090764 /nfs/dbraw/zinc/09/07/64/331090764.db2.gz YMEJGAKGZCLSLV-SJKOYZFVSA-N 0 1 285.366 3.808 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H]1C[C@@H](C)c2ccccc21 ZINC000453156817 331095151 /nfs/dbraw/zinc/09/51/51/331095151.db2.gz HMZBEEWWIXXTLI-DVOMOZLQSA-N 0 1 269.392 3.802 20 0 CHADMN CC[C@@H](N[C@@H]1COc2c1ccc(C)c2C)c1ccncc1 ZINC000453160485 331095623 /nfs/dbraw/zinc/09/56/23/331095623.db2.gz OUMKAACTEXBJMX-IAGOWNOFSA-N 0 1 282.387 3.873 20 0 CHADMN C[C@H](NC1(c2ccc(Cl)cc2)CCC1)c1ccncn1 ZINC000453163626 331095929 /nfs/dbraw/zinc/09/59/29/331095929.db2.gz OKFSBWOLKQGUKP-LBPRGKRZSA-N 0 1 287.794 3.860 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](CO)c2ccsc2)cs1 ZINC000453198448 331100410 /nfs/dbraw/zinc/10/04/10/331100410.db2.gz OYHANDWQBZRZJX-GWCFXTLKSA-N 0 1 267.419 3.502 20 0 CHADMN Cc1cc([C@@H](C)NCc2c3c(nn2C)CCCC3)cs1 ZINC000453240105 331105878 /nfs/dbraw/zinc/10/58/78/331105878.db2.gz NSTKVDGCTRQAMM-GFCCVEGCSA-N 0 1 289.448 3.520 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2c(F)cccc21)c1nccn1C ZINC000453241770 331106160 /nfs/dbraw/zinc/10/61/60/331106160.db2.gz WDTWLJIKEBFCFX-HZPDHXFCSA-N 0 1 287.382 3.678 20 0 CHADMN CC1(F)CC(N[C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000453241935 331106298 /nfs/dbraw/zinc/10/62/98/331106298.db2.gz UVORBEYKKNDXRV-AQFXKWCLSA-N 0 1 288.341 3.790 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc3cc[nH]c3n2)cs1 ZINC000453255288 331108128 /nfs/dbraw/zinc/10/81/28/331108128.db2.gz PSOFORKTSWPOFC-NSHDSACASA-N 0 1 271.389 3.784 20 0 CHADMN C[C@@H](NCC1=CCCCC1)c1nc2c(s1)CCC2 ZINC000453261888 331108772 /nfs/dbraw/zinc/10/87/72/331108772.db2.gz ZJVWOVMMKQMTSK-LLVKDONJSA-N 0 1 262.422 3.783 20 0 CHADMN CC[C@H](C)[C@@H](CN[C@H](C)c1csc(C(C)C)n1)OC ZINC000453267899 331109380 /nfs/dbraw/zinc/10/93/80/331109380.db2.gz NNFLJFPGHUDGQJ-OUCADQQQSA-N 0 1 284.469 3.978 20 0 CHADMN C[C@@H](N[C@@H](C)[C@@H]1C[C@H]1c1ccccc1)C(C)(F)F ZINC000453283907 331110825 /nfs/dbraw/zinc/11/08/25/331110825.db2.gz ITURVLCMUGAKRY-XCCSTKFXSA-N 0 1 253.336 3.812 20 0 CHADMN CO[C@@](C)(CN[C@H](C)c1csc(C)n1)c1ccccc1 ZINC000453317069 331115766 /nfs/dbraw/zinc/11/57/66/331115766.db2.gz ILBKSNQEMUAWNB-WBMJQRKESA-N 0 1 290.432 3.664 20 0 CHADMN CC/C=C/CN[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453340734 331119065 /nfs/dbraw/zinc/11/90/65/331119065.db2.gz ZPCIJEQCJOOJSP-VZUFXWRPSA-N 0 1 269.392 3.704 20 0 CHADMN CC[C@@H](NCc1ncccc1OC)c1cccc(C)c1 ZINC000453346290 331120023 /nfs/dbraw/zinc/12/00/23/331120023.db2.gz BLRCVIZURHVFQU-OAHLLOKOSA-N 0 1 270.376 3.640 20 0 CHADMN O[C@H]1C[C@@H](N[C@@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000453360593 331122291 /nfs/dbraw/zinc/12/22/91/331122291.db2.gz KJVSCSZXXLOLGE-BKPPORCPSA-N 0 1 292.231 3.545 20 0 CHADMN C[C@@H](NC1(Cc2ccc(F)cc2)CC1)c1nccs1 ZINC000453363513 331122842 /nfs/dbraw/zinc/12/28/42/331122842.db2.gz RPFCCRGBUGNGHR-LLVKDONJSA-N 0 1 276.380 3.708 20 0 CHADMN Cc1ccc([C@H](C)NCc2cnc(C3CC3)o2)cc1 ZINC000453378493 331125336 /nfs/dbraw/zinc/12/53/36/331125336.db2.gz YKFOJLXPLVPBGV-LBPRGKRZSA-N 0 1 256.349 3.711 20 0 CHADMN COc1cccnc1CN[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000453380611 331125753 /nfs/dbraw/zinc/12/57/53/331125753.db2.gz XQJCDXYOAGDSPF-CZUORRHYSA-N 0 1 282.387 3.818 20 0 CHADMN C[C@H](c1cccc(F)c1F)N1CCC[C@@]2(CCOC2)C1 ZINC000453384771 331126310 /nfs/dbraw/zinc/12/63/10/331126310.db2.gz UEDYXOGLVSTUMN-MLGOLLRUSA-N 0 1 281.346 3.528 20 0 CHADMN CCc1ncc(CN[C@H](CC)c2ccc(C)cc2)o1 ZINC000453386972 331126733 /nfs/dbraw/zinc/12/67/33/331126733.db2.gz VTAFSRGAJDUNMK-OAHLLOKOSA-N 0 1 258.365 3.786 20 0 CHADMN CC(C)(CO)[C@H](NCc1ccc(Cl)o1)c1cccs1 ZINC000453578795 331134738 /nfs/dbraw/zinc/13/47/38/331134738.db2.gz RDEYMNIBIJTJIO-CYBMUJFWSA-N 0 1 299.823 3.844 20 0 CHADMN CCc1cnc(CN[C@H]2C[C@]2(CC)C(C)C)s1 ZINC000453613800 331136438 /nfs/dbraw/zinc/13/64/38/331136438.db2.gz OVNGYUKGHHMOSD-GXTWGEPZSA-N 0 1 252.427 3.620 20 0 CHADMN Cc1ncsc1CN1Cc2sccc2CC1(C)C ZINC000453618897 331136805 /nfs/dbraw/zinc/13/68/05/331136805.db2.gz KHQFASCXVSYZOC-UHFFFAOYSA-N 0 1 278.446 3.850 20 0 CHADMN C[C@@H]1CC=C(C(=O)Nc2cc(Cl)c(O)cc2F)CC1 ZINC000456031931 331182870 /nfs/dbraw/zinc/18/28/70/331182870.db2.gz ARCTUGSBDWXSFQ-MRVPVSSYSA-N 0 1 283.730 3.870 20 0 CHADMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccccc1C(C)(F)F ZINC000456114966 331184438 /nfs/dbraw/zinc/18/44/38/331184438.db2.gz OOHDQBMPPFLMFG-RYUDHWBXSA-N 0 1 296.361 3.610 20 0 CHADMN CC[C@@H]1CC[C@H](C)N(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000456793795 331204288 /nfs/dbraw/zinc/20/42/88/331204288.db2.gz BUOVVJXGPXMQFZ-QWHCGFSZSA-N 0 1 285.391 3.522 20 0 CHADMN CCc1cc(C(=O)Nc2ccc(F)c(F)c2O)oc1CC ZINC000457289694 331218184 /nfs/dbraw/zinc/21/81/84/331218184.db2.gz ISTZVIWGGYBDQV-UHFFFAOYSA-N 0 1 295.285 3.641 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CCCCC(C)C)n[nH]1 ZINC000457765127 331233684 /nfs/dbraw/zinc/23/36/84/331233684.db2.gz NDUIKZPSEAYYET-CHWSQXEVSA-N 0 1 294.443 3.712 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H](CC)CC(F)F)c1 ZINC000457834379 331235966 /nfs/dbraw/zinc/23/59/66/331235966.db2.gz UEYNLJWXFOCSCN-SECBINFHSA-N 0 1 299.317 3.605 20 0 CHADMN C[C@H](CC(=O)NCc1ccc2cncn2c1)C1CCCCC1 ZINC000457974802 331238478 /nfs/dbraw/zinc/23/84/78/331238478.db2.gz LKYTVEKOCVDGOE-CQSZACIVSA-N 0 1 299.418 3.557 20 0 CHADMN CCn1nncc1CN1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000459345901 331277109 /nfs/dbraw/zinc/27/71/09/331277109.db2.gz SXGYQKCFWAQJQZ-MAUKXSAKSA-N 0 1 298.434 3.580 20 0 CHADMN Cc1nc(CCNCc2c(F)cc(C)cc2Cl)cs1 ZINC000459367158 331278557 /nfs/dbraw/zinc/27/85/57/331278557.db2.gz NWVARKKZZVWUQX-UHFFFAOYSA-N 0 1 298.814 3.885 20 0 CHADMN Cc1ccccc1[C@]1(F)CCN(C2CC(OC(C)C)C2)C1 ZINC000459440328 331281447 /nfs/dbraw/zinc/28/14/47/331281447.db2.gz XHMPUVCDBLZFCJ-HTWSVDAQSA-N 0 1 291.410 3.822 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cnc(C3CC3)nc2)c1 ZINC000459510466 331285508 /nfs/dbraw/zinc/28/55/08/331285508.db2.gz ONGNHLFEHJNEHP-UHFFFAOYSA-N 0 1 281.403 3.603 20 0 CHADMN CC[C@H](C)c1nnc([C@H](C)NC2CC(C(C)(C)C)C2)[nH]1 ZINC000459530730 331286201 /nfs/dbraw/zinc/28/62/01/331286201.db2.gz SPCKBNYCPVOPJS-ZSVAQUKISA-N 0 1 278.444 3.794 20 0 CHADMN CCOc1cc(CN2CCC[C@H]2c2cccnc2)ccc1O ZINC000459558031 331287720 /nfs/dbraw/zinc/28/77/20/331287720.db2.gz KRELWXYYTPRBNB-INIZCTEOSA-N 0 1 298.386 3.523 20 0 CHADMN Cc1noc(C)c1CN1Cc2sccc2CC1(C)C ZINC000459574232 331288760 /nfs/dbraw/zinc/28/87/60/331288760.db2.gz CZOSLZWFQVFKPH-UHFFFAOYSA-N 0 1 276.405 3.690 20 0 CHADMN Nc1cc(CN2CC3(CCCC3)[C@H]2c2ccccc2)ccn1 ZINC000459589326 331289512 /nfs/dbraw/zinc/28/95/12/331289512.db2.gz YGAVAXQMTYNQBO-GOSISDBHSA-N 0 1 293.414 3.611 20 0 CHADMN CCC1(CC)CN(Cc2c[nH]nc2-c2ccsc2)C1 ZINC000459591643 331289736 /nfs/dbraw/zinc/28/97/36/331289736.db2.gz GLLXRCKNKZUARW-UHFFFAOYSA-N 0 1 275.421 3.760 20 0 CHADMN c1csc(-c2n[nH]cc2CN2CC3(C2)CCCCC3)c1 ZINC000459601457 331290217 /nfs/dbraw/zinc/29/02/17/331290217.db2.gz YCFODOPEGAXTSK-UHFFFAOYSA-N 0 1 287.432 3.904 20 0 CHADMN c1nc([C@@H]2CCCO2)sc1CN1CC(C2CCCC2)C1 ZINC000459615397 331290570 /nfs/dbraw/zinc/29/05/70/331290570.db2.gz OZNFCJXANWQJCP-HNNXBMFYSA-N 0 1 292.448 3.617 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN1CC2(C1)CCCOC2 ZINC000459611151 331290621 /nfs/dbraw/zinc/29/06/21/331290621.db2.gz UNIGUXOEELLEGW-UHFFFAOYSA-N 0 1 279.811 3.569 20 0 CHADMN COCC1(C)CN(Cc2ccc(-c3ccccc3F)o2)C1 ZINC000459623528 331290840 /nfs/dbraw/zinc/29/08/40/331290840.db2.gz QSALTUMXBLMFFE-UHFFFAOYSA-N 0 1 289.350 3.554 20 0 CHADMN Fc1ccc(CC2CN(Cc3ccsc3)C2)cc1F ZINC000459627527 331291064 /nfs/dbraw/zinc/29/10/64/331291064.db2.gz KXQMAPXZMBIGQU-UHFFFAOYSA-N 0 1 279.355 3.701 20 0 CHADMN CC(C)(C)C1CN(Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000459651133 331292240 /nfs/dbraw/zinc/29/22/40/331292240.db2.gz YQRWYDJLVLMSMR-UHFFFAOYSA-N 0 1 269.392 3.555 20 0 CHADMN CCCc1csc(CN[C@@H]2C[C@H]2CC(C)C)n1 ZINC000459654887 331292449 /nfs/dbraw/zinc/29/24/49/331292449.db2.gz HBZDDESXDPDKJX-DGCLKSJQSA-N 0 1 252.427 3.620 20 0 CHADMN CC(C)c1noc(CN(C)[C@@H]2CCC[C@H]2c2ccccc2)n1 ZINC000459668611 331293280 /nfs/dbraw/zinc/29/32/80/331293280.db2.gz CFGILKKVLKMVCA-JKSUJKDBSA-N 0 1 299.418 3.961 20 0 CHADMN CC(C)c1noc(CN(C)[C@H]2CCC[C@H]2c2ccccc2)n1 ZINC000459668608 331293291 /nfs/dbraw/zinc/29/32/91/331293291.db2.gz CFGILKKVLKMVCA-HOTGVXAUSA-N 0 1 299.418 3.961 20 0 CHADMN Cc1ccnc(CN(C)[C@@H]2CCC[C@H]2c2ccccc2)n1 ZINC000459702525 331295072 /nfs/dbraw/zinc/29/50/72/331295072.db2.gz NTJXQSARNCXLFY-DLBZAZTESA-N 0 1 281.403 3.553 20 0 CHADMN CC[C@@H]1C[C@H](CN2Cc3ccc(Cl)cc3C2)CCO1 ZINC000459771691 331299818 /nfs/dbraw/zinc/29/98/18/331299818.db2.gz ZDBYYZFGIWUVJO-MLGOLLRUSA-N 0 1 279.811 3.861 20 0 CHADMN CC[C@@H]1OCC[C@H]1NCc1csc(C2CCCCC2)n1 ZINC000459777123 331300427 /nfs/dbraw/zinc/30/04/27/331300427.db2.gz OBHAOKXCSCIYDE-CABCVRRESA-N 0 1 294.464 3.848 20 0 CHADMN Cc1ccc2ccccc2c1CN[C@@H](C)c1ccn(C)n1 ZINC000459793198 331301295 /nfs/dbraw/zinc/30/12/95/331301295.db2.gz OOEGBBVZUSSHBU-AWEZNQCLSA-N 0 1 279.387 3.733 20 0 CHADMN CN(C)c1ccccc1CNc1cc2c(cn1)CCCC2 ZINC000461209391 331311928 /nfs/dbraw/zinc/31/19/28/331311928.db2.gz XFFJNCNWHBQMEV-UHFFFAOYSA-N 0 1 281.403 3.639 20 0 CHADMN CCC[C@@H]1C[C@H]1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000462278293 331318842 /nfs/dbraw/zinc/31/88/42/331318842.db2.gz WQJCXSHXOWTJEL-PSASIEDQSA-N 0 1 293.317 3.875 20 0 CHADMN CCc1ccc([C@H](C)NCc2cn(C)nc2C(F)F)cc1 ZINC000462777635 331328482 /nfs/dbraw/zinc/32/84/82/331328482.db2.gz NMPWRNZSSAVILD-NSHDSACASA-N 0 1 293.361 3.771 20 0 CHADMN COC[C@@H](C)N[C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000462799723 331329644 /nfs/dbraw/zinc/32/96/44/331329644.db2.gz WTHWWKUXEFUDGQ-MNOVXSKESA-N 0 1 294.395 3.635 20 0 CHADMN CO[C@H](C)CN[C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000462806324 331330070 /nfs/dbraw/zinc/33/00/70/331330070.db2.gz WJJMCPBZGOWXMY-MNOVXSKESA-N 0 1 294.395 3.635 20 0 CHADMN Cc1nsc(NCC2CCC(c3ccccc3)CC2)n1 ZINC000462834025 331332037 /nfs/dbraw/zinc/33/20/37/331332037.db2.gz OFKOCGHYDZVBNE-UHFFFAOYSA-N 0 1 287.432 3.654 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H](C)[C@@H](C)CC)c1 ZINC000462921980 331335180 /nfs/dbraw/zinc/33/51/80/331335180.db2.gz LMMDJKMNTCICJT-QWRGUYRKSA-N 0 1 277.364 3.606 20 0 CHADMN COCC[C@H]1CCC[C@@H]1Nc1cc2c(cn1)CCCC2 ZINC000462958623 331335933 /nfs/dbraw/zinc/33/59/33/331335933.db2.gz QQEMDJYTZKPRSD-CJNGLKHVSA-N 0 1 274.408 3.578 20 0 CHADMN CCc1cccc(Cl)c1CN(CC)[C@@H]1CCOC1 ZINC000463029230 331337619 /nfs/dbraw/zinc/33/76/19/331337619.db2.gz OALYDYVNBKHZJQ-CYBMUJFWSA-N 0 1 267.800 3.513 20 0 CHADMN C[C@@H]1c2cccn2CCN1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463083771 331340043 /nfs/dbraw/zinc/34/00/43/331340043.db2.gz HVJRIHNXGSDAOR-PVAVHDDUSA-N 0 1 266.388 3.668 20 0 CHADMN C[C@H](c1nc(CC2CC(C)(C)C2)no1)N1[C@H](C)CC[C@H]1C ZINC000463172586 331341357 /nfs/dbraw/zinc/34/13/57/331341357.db2.gz MYFAMPCHNLUVLH-JHJVBQTASA-N 0 1 291.439 3.982 20 0 CHADMN CSCCCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000463256144 331344534 /nfs/dbraw/zinc/34/45/34/331344534.db2.gz JPTIADDJVMDQRW-HJWRWDBZSA-N 0 1 291.445 3.820 20 0 CHADMN CCN(Cc1nc(-c2cccc(C)c2)no1)CC(C)(C)C ZINC000463377719 331346890 /nfs/dbraw/zinc/34/68/90/331346890.db2.gz WLLVTUYGKDJHMP-UHFFFAOYSA-N 0 1 287.407 3.913 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1C(=O)c1[nH]nc2ccccc21 ZINC000464186279 331357631 /nfs/dbraw/zinc/35/76/31/331357631.db2.gz OYGILIDIUNVKLZ-WFASDCNBSA-N 0 1 285.391 3.604 20 0 CHADMN CC[C@@]1(C)CCCN([C@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000464782699 331367992 /nfs/dbraw/zinc/36/79/92/331367992.db2.gz ZNUATSRGOIZGIG-DYVFJYSZSA-N 0 1 292.398 3.665 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1C[C@@H](C)CC[C@H]1C ZINC000464822792 331369813 /nfs/dbraw/zinc/36/98/13/331369813.db2.gz NGPYCENRFDMZSA-WCQYABFASA-N 0 1 294.826 3.707 20 0 CHADMN Cc1cccc(CN2C[C@H](C)OC[C@H]2c2ccccc2)c1 ZINC000464849878 331371051 /nfs/dbraw/zinc/37/10/51/331371051.db2.gz ZNXVJPNIVQQSGB-LPHOPBHVSA-N 0 1 281.399 3.957 20 0 CHADMN CCC1(C)CCN(Cc2nc3cc(F)ccc3o2)CC1 ZINC000464866014 331372112 /nfs/dbraw/zinc/37/21/12/331372112.db2.gz AYRRXZVLEKFYDX-UHFFFAOYSA-N 0 1 276.355 3.979 20 0 CHADMN CC(C)CCc1nc(CN2C[C@@H]3CCC[C@@H]3C2)cs1 ZINC000464895009 331373005 /nfs/dbraw/zinc/37/30/05/331373005.db2.gz LVBPTFLHECFASA-OKILXGFUSA-N 0 1 278.465 3.964 20 0 CHADMN CO[C@@]1(C)C[C@@H](NCc2c(F)cccc2Cl)C1(C)C ZINC000465009256 331375675 /nfs/dbraw/zinc/37/56/75/331375675.db2.gz COLXSAZDMRGKBJ-HIFRSBDPSA-N 0 1 285.790 3.772 20 0 CHADMN Cc1ccc2nc(CN[C@H](C)c3ccccc3F)[nH]c2c1 ZINC000465400338 331382723 /nfs/dbraw/zinc/38/27/23/331382723.db2.gz FHBJJRBRBBUTDF-GFCCVEGCSA-N 0 1 283.350 3.861 20 0 CHADMN Cc1ccc2nc(CN[C@H](C)c3ccc(F)cc3)[nH]c2c1 ZINC000465408641 331382877 /nfs/dbraw/zinc/38/28/77/331382877.db2.gz WUFMUHCWBWPSCQ-GFCCVEGCSA-N 0 1 283.350 3.861 20 0 CHADMN CC/C=C\CCNC1(c2noc(C)n2)CCCCCC1 ZINC000466803435 331405187 /nfs/dbraw/zinc/40/51/87/331405187.db2.gz LYQCRSOKGTUATA-PLNGDYQASA-N 0 1 277.412 3.873 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2COc3ccc(F)cc32)cc1 ZINC000468026320 331426816 /nfs/dbraw/zinc/42/68/16/331426816.db2.gz NGIUUTPYCCOUCC-LRDDRELGSA-N 0 1 271.335 3.918 20 0 CHADMN C[C@@H](CC(F)(F)F)N[C@@H]1CCc2c1c(F)ccc2F ZINC000468024897 331426840 /nfs/dbraw/zinc/42/68/40/331426840.db2.gz DBWVDGVCRKJCIY-WRWORJQWSA-N 0 1 279.252 3.883 20 0 CHADMN COc1ccc([C@H](C)N[C@@H]2COc3ccc(F)cc32)cc1 ZINC000468052382 331427708 /nfs/dbraw/zinc/42/77/08/331427708.db2.gz YHNULJQNAKMLLW-MEDUHNTESA-N 0 1 287.334 3.619 20 0 CHADMN CCC[C@H](C)N(C)C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000468955232 331443058 /nfs/dbraw/zinc/44/30/58/331443058.db2.gz KJBHPWNXABPVIY-DOTOQJQBSA-N 0 1 290.451 3.717 20 0 CHADMN COc1cccc([C@H](C)N2CCN(c3ccccc3)CC2)c1 ZINC000470974664 331498031 /nfs/dbraw/zinc/49/80/31/331498031.db2.gz KASUHWPGORWDBI-INIZCTEOSA-N 0 1 296.414 3.578 20 0 CHADMN CC(C)C1CCN([C@@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000472582373 331539136 /nfs/dbraw/zinc/53/91/36/331539136.db2.gz PSHUVUOGQOHUAC-HNNXBMFYSA-N 0 1 298.434 3.696 20 0 CHADMN O=C(Cc1ccccc1F)Nc1cc(F)cc(Cl)c1O ZINC000474445344 331587274 /nfs/dbraw/zinc/58/72/74/331587274.db2.gz LXSWTNOMQZORDM-UHFFFAOYSA-N 0 1 297.688 3.505 20 0 CHADMN Cc1noc([C@H](C)N[C@@H](C)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000475195223 331617367 /nfs/dbraw/zinc/61/73/67/331617367.db2.gz HPULWKLOQBFFBS-DCAQKATOSA-N 0 1 293.798 3.874 20 0 CHADMN CCC1(Cc2ccccc2)CCN(Cc2cc[nH]n2)CC1 ZINC000475579856 331638847 /nfs/dbraw/zinc/63/88/47/331638847.db2.gz IQNPIDCCBJJWBZ-UHFFFAOYSA-N 0 1 283.419 3.645 20 0 CHADMN C[C@H](N[C@@H](CO)c1c(Cl)cccc1Cl)C1CCC1 ZINC000475622164 331639137 /nfs/dbraw/zinc/63/91/37/331639137.db2.gz GAXOYXDKIZIKBZ-ZANVPECISA-N 0 1 288.218 3.805 20 0 CHADMN CC[C@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)N(C)C ZINC000480825554 331789538 /nfs/dbraw/zinc/78/95/38/331789538.db2.gz JODVRTPNPIQHSX-OAHLLOKOSA-N 0 1 296.370 3.865 20 0 CHADMN CCN(CC)[C@H](C(=O)NCCC=C(C)C)c1ccccc1 ZINC000481013738 331794568 /nfs/dbraw/zinc/79/45/68/331794568.db2.gz XNNUZJVQAXIWON-KRWDZBQOSA-N 0 1 288.435 3.542 20 0 CHADMN CC[C@H]1CCCC[C@@H]1NCc1nc(CCC(C)C)no1 ZINC000481173904 331799713 /nfs/dbraw/zinc/79/97/13/331799713.db2.gz HDVOICGCEDCROQ-KBPBESRZSA-N 0 1 279.428 3.717 20 0 CHADMN CC(C)CCc1noc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)n1 ZINC000481212420 331801225 /nfs/dbraw/zinc/80/12/25/331801225.db2.gz ZQAQXIYOBUROFW-MGPQQGTHSA-N 0 1 279.428 3.573 20 0 CHADMN CC(C)CC[C@H](O)CN[C@H](C)c1c(F)cccc1Cl ZINC000482821443 331847479 /nfs/dbraw/zinc/84/74/79/331847479.db2.gz OVCALLCBVTZHJW-NEPJUHHUSA-N 0 1 287.806 3.927 20 0 CHADMN Cc1ccccc1-c1nc(CNC2C[C@@H](C)C[C@H](C)C2)no1 ZINC000483314200 331869147 /nfs/dbraw/zinc/86/91/47/331869147.db2.gz XRHWDSZTVUPDOU-STQMWFEESA-N 0 1 299.418 3.959 20 0 CHADMN C[C@H](C[NH2+]Cc1c(F)ccc([O-])c1F)Cc1cccs1 ZINC000511426969 332932043 /nfs/dbraw/zinc/93/20/43/332932043.db2.gz DUQMOCDOHQGUFJ-JTQLQIEISA-N 0 1 297.370 3.700 20 0 CHADMN Cc1ccc(CNC[C@H](c2ccccc2)C(F)(F)F)nc1 ZINC000485724661 331922601 /nfs/dbraw/zinc/92/26/01/331922601.db2.gz KGAVDDKVJHQTPR-OAHLLOKOSA-N 0 1 294.320 3.826 20 0 CHADMN CC[C@H](NC/C=C/c1ccncc1)c1nc(C)cs1 ZINC000487301523 331964397 /nfs/dbraw/zinc/96/43/97/331964397.db2.gz HZCUYIYPEZNTMX-NNTXTVRGSA-N 0 1 273.405 3.601 20 0 CHADMN Fc1cc(Cl)ccc1CNC/C=C/c1ccncc1 ZINC000487563421 331974891 /nfs/dbraw/zinc/97/48/91/331974891.db2.gz URQSULFHZISUMF-OWOJBTEDSA-N 0 1 276.742 3.677 20 0 CHADMN CCc1cnc(CN[C@@H]2CS[C@@H](C(C)(C)C)C2)s1 ZINC000488412314 332003349 /nfs/dbraw/zinc/00/33/49/332003349.db2.gz BEFDNIHAUZRBFY-CMPLNLGQSA-N 0 1 284.494 3.715 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)NC[C@@H]3C[C@@H]3C)n2)cc1 ZINC000488536475 332016115 /nfs/dbraw/zinc/01/61/15/332016115.db2.gz WCKFDWXCHWAPLL-HUBLWGQQSA-N 0 1 285.391 3.606 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)NC[C@@H]3C[C@H]3C)n2)cc1 ZINC000488536478 332016158 /nfs/dbraw/zinc/01/61/58/332016158.db2.gz WCKFDWXCHWAPLL-XUJVJEKNSA-N 0 1 285.391 3.606 20 0 CHADMN CC(C)Cn1ccnc1CN[C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488578512 332018631 /nfs/dbraw/zinc/01/86/31/332018631.db2.gz YVJNSTWTHHWUHJ-UONOGXRCSA-N 0 1 295.496 3.549 20 0 CHADMN Cc1ccccc1[C@@H](C(C)C)N(C)CC(=O)c1cccn1C ZINC000488721724 332022613 /nfs/dbraw/zinc/02/26/13/332022613.db2.gz DVQXZYSLRUXSDD-LJQANCHMSA-N 0 1 298.430 3.845 20 0 CHADMN Cc1nccc(N2Cc3ccccc3O[C@@H](C)C2)c1Cl ZINC000488786632 332025770 /nfs/dbraw/zinc/02/57/70/332025770.db2.gz USWCLESPLJHJNO-NSHDSACASA-N 0 1 288.778 3.831 20 0 CHADMN CCCN(CC)[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000488795815 332025818 /nfs/dbraw/zinc/02/58/18/332025818.db2.gz NIXQBHLLQKUWBH-LBPRGKRZSA-N 0 1 291.370 3.977 20 0 CHADMN CC[C@H](CC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1)C(C)C ZINC000489293769 332045728 /nfs/dbraw/zinc/04/57/28/332045728.db2.gz ZACIKIVCOWIHSV-RWMBFGLXSA-N 0 1 294.443 3.568 20 0 CHADMN CCCc1noc(CN2C[C@H](c3ccc(C)cc3)C[C@@H]2C)n1 ZINC000490046767 332078511 /nfs/dbraw/zinc/07/85/11/332078511.db2.gz PWFDXNKDEXXORJ-GOEBONIOSA-N 0 1 299.418 3.709 20 0 CHADMN CC(C)C[C@H]1CCCCCN1Cc1ncnn1CC(C)C ZINC000490084376 332080770 /nfs/dbraw/zinc/08/07/70/332080770.db2.gz INPOWNZPWUXPCI-MRXNPFEDSA-N 0 1 292.471 3.725 20 0 CHADMN CC(C)[C@@H](C)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000490317716 332086758 /nfs/dbraw/zinc/08/67/58/332086758.db2.gz ZXLFWTBVUZAUQN-MRVPVSSYSA-N 0 1 299.296 3.812 20 0 CHADMN CC(C)(C)c1csc(CN2CC[C@@H](C3CC3)C2)n1 ZINC000491143535 332155604 /nfs/dbraw/zinc/15/56/04/332155604.db2.gz VUAKJUCQCLZCBD-GFCCVEGCSA-N 0 1 264.438 3.673 20 0 CHADMN C[C@H]1CCN(c2ccnc3cc(F)ccc32)CC1(F)F ZINC000491612474 332242584 /nfs/dbraw/zinc/24/25/84/332242584.db2.gz JRDKSUBQEYTAFQ-JTQLQIEISA-N 0 1 280.293 3.855 20 0 CHADMN C[C@@H](c1cccc2ccccc21)[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000575412560 335101817 /nfs/dbraw/zinc/10/18/17/335101817.db2.gz FBZOOVNJONCOOV-BIENJYKASA-N 0 1 297.398 3.943 20 0 CHADMN CC(=O)c1csc(C(=O)Nc2cccc(Cl)c2O)c1 ZINC000172355333 335102490 /nfs/dbraw/zinc/10/24/90/335102490.db2.gz ITVXABHREZKJAC-UHFFFAOYSA-N 0 1 295.747 3.562 20 0 CHADMN CC1CCN(Cc2coc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000492205940 332387079 /nfs/dbraw/zinc/38/70/79/332387079.db2.gz DKYZTWHZIIRACB-UHFFFAOYSA-N 0 1 292.329 3.852 20 0 CHADMN C[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000492219472 332387911 /nfs/dbraw/zinc/38/79/11/332387911.db2.gz GPJWKZBIJBTLJB-LLVKDONJSA-N 0 1 292.329 3.994 20 0 CHADMN C[C@@H]1CCCCN1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000492219472 332387912 /nfs/dbraw/zinc/38/79/12/332387912.db2.gz GPJWKZBIJBTLJB-LLVKDONJSA-N 0 1 292.329 3.994 20 0 CHADMN CCc1nc(C)c(CNC/C=C\c2ccc(F)cc2F)o1 ZINC000494293820 332469833 /nfs/dbraw/zinc/46/98/33/332469833.db2.gz SSRWPRQODJRMBB-PLNGDYQASA-N 0 1 292.329 3.627 20 0 CHADMN Fc1cc(C2CC2)ccc1CNCc1ccc2[nH]cnc2c1 ZINC000575733493 335110130 /nfs/dbraw/zinc/11/01/30/335110130.db2.gz ONZFFKNURVLBQA-UHFFFAOYSA-N 0 1 295.361 3.869 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc2ccccc21 ZINC000575755370 335112502 /nfs/dbraw/zinc/11/25/02/335112502.db2.gz MKJBNQRWGQHPDT-KRWDZBQOSA-N 0 1 285.387 3.771 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CCCO[C@H](C)C1 ZINC000172533474 335108923 /nfs/dbraw/zinc/10/89/23/335108923.db2.gz DJVYPYDVJOLFKW-IAQYHMDHSA-N 0 1 269.335 3.527 20 0 CHADMN CO[C@@H]1CCC[C@H]1CN[C@H](CCc1ccccc1)C(F)F ZINC000498769233 332572858 /nfs/dbraw/zinc/57/28/58/332572858.db2.gz ZITMFXZWFZSDFI-ARFHVFGLSA-N 0 1 297.389 3.658 20 0 CHADMN C/C(=C\c1ccccc1)CNc1cnccc1-n1cccn1 ZINC000500399458 332606842 /nfs/dbraw/zinc/60/68/42/332606842.db2.gz QELHSFYQISIMKV-NTCAYCPXSA-N 0 1 290.370 3.783 20 0 CHADMN COC[C@H](NC/C(C)=C\c1ccccc1)c1ccco1 ZINC000501456468 332633861 /nfs/dbraw/zinc/63/38/61/332633861.db2.gz ZIDVTHVWKBNQPQ-QBOMHBFWSA-N 0 1 271.360 3.660 20 0 CHADMN CC[C@H]1C[C@@]1(NCc1ccc(OC)cn1)c1cccc(C)c1 ZINC000502562102 332665690 /nfs/dbraw/zinc/66/56/90/332665690.db2.gz FUVZQXWYEKFNKI-KXBFYZLASA-N 0 1 296.414 3.814 20 0 CHADMN C[C@H](NC/C=C/c1ccc(F)c(F)c1)c1ccncc1F ZINC000512399575 332966860 /nfs/dbraw/zinc/96/68/60/332966860.db2.gz LNFUONRVUUUHKG-VUDBWIFFSA-N 0 1 292.304 3.863 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)NCC(C)(C)C)n2)cc1F ZINC000513188541 333007574 /nfs/dbraw/zinc/00/75/74/333007574.db2.gz PRFGGBLRHKLKBA-NSHDSACASA-N 0 1 291.370 3.881 20 0 CHADMN C[C@H](O)[C@@H]1CCCCN1Cc1cc(Cl)ccc1Cl ZINC000513292488 333012665 /nfs/dbraw/zinc/01/26/65/333012665.db2.gz SKTQHMMWDVZKJH-HZMBPMFUSA-N 0 1 288.218 3.729 20 0 CHADMN CCc1ccc([C@@H]2CCCN(Cc3ccon3)C2)cc1 ZINC000513380021 333016490 /nfs/dbraw/zinc/01/64/90/333016490.db2.gz ABBPCIMTVJXDJJ-MRXNPFEDSA-N 0 1 270.376 3.617 20 0 CHADMN CCn1nccc1CN(Cc1ccccc1)CC(C)(C)C ZINC000513401968 333017645 /nfs/dbraw/zinc/01/76/45/333017645.db2.gz QRPWEZIIWFPXSZ-UHFFFAOYSA-N 0 1 285.435 3.951 20 0 CHADMN CCC(C)(C)OCCNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000308722159 333038173 /nfs/dbraw/zinc/03/81/73/333038173.db2.gz DTOJBUZYAODPQY-JSGCOSHPSA-N 0 1 265.397 3.698 20 0 CHADMN CC[C@H]1CO[C@H](C)CN1Cc1csc2ccccc12 ZINC000513787198 333039216 /nfs/dbraw/zinc/03/92/16/333039216.db2.gz VENIKOQJZZZYPT-OCCSQVGLSA-N 0 1 275.417 3.901 20 0 CHADMN CN(Cc1cccs1)Cc1ccccc1N1CCCC1 ZINC000176097758 333039414 /nfs/dbraw/zinc/03/94/14/333039414.db2.gz FFXXIWLDJISVPW-UHFFFAOYSA-N 0 1 286.444 3.980 20 0 CHADMN CN(CCCF)Cc1cccc(Cl)c1Cl ZINC000178254531 333070128 /nfs/dbraw/zinc/07/01/28/333070128.db2.gz VWIPNTHFJORMRF-UHFFFAOYSA-N 0 1 250.144 3.785 20 0 CHADMN C[C@H](NCCF)c1ccc(OCc2ccccc2)cc1 ZINC000309953771 333051819 /nfs/dbraw/zinc/05/18/19/333051819.db2.gz PTLAZSDHCKUSTN-AWEZNQCLSA-N 0 1 273.351 3.886 20 0 CHADMN FC1(F)CCC[C@@H](C[N@H+]2CCO[C@H](c3ccccc3)C2)C1 ZINC000513967705 333056103 /nfs/dbraw/zinc/05/61/03/333056103.db2.gz OPSOSBRWURGIME-ZBFHGGJFSA-N 0 1 295.373 3.885 20 0 CHADMN FC1(F)CCC[C@@H](CN2CCO[C@H](c3ccccc3)C2)C1 ZINC000513967705 333056104 /nfs/dbraw/zinc/05/61/04/333056104.db2.gz OPSOSBRWURGIME-ZBFHGGJFSA-N 0 1 295.373 3.885 20 0 CHADMN CN(CCSc1ccc(F)cc1)CCC(F)(F)F ZINC000514010185 333060013 /nfs/dbraw/zinc/06/00/13/333060013.db2.gz UMMLGKTUBYGQJB-UHFFFAOYSA-N 0 1 281.318 3.802 20 0 CHADMN c1nnc(-c2ccccc2OCc2ccc3c(c2)CCC3)[nH]1 ZINC000177726612 333062534 /nfs/dbraw/zinc/06/25/34/333062534.db2.gz JCKVHXKRQPSSBU-UHFFFAOYSA-N 0 1 291.354 3.539 20 0 CHADMN CCc1cccc(CC)c1NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000177747058 333062567 /nfs/dbraw/zinc/06/25/67/333062567.db2.gz ITQKWODJTAFTQM-ZIAGYGMSSA-N 0 1 288.435 3.623 20 0 CHADMN C[C@H](NCc1ccc(-c2ccc(F)cc2)o1)c1cnn(C)c1 ZINC000336869098 335122330 /nfs/dbraw/zinc/12/23/30/335122330.db2.gz ZVVUCJSZBOYMNQ-LBPRGKRZSA-N 0 1 299.349 3.670 20 0 CHADMN Cc1cc(-c2noc(CN(C)C3CCCC3)n2)ccc1F ZINC000178272263 333070352 /nfs/dbraw/zinc/07/03/52/333070352.db2.gz IXAJRFGQDOZMRF-UHFFFAOYSA-N 0 1 289.354 3.559 20 0 CHADMN Cc1cccc(NC(=O)c2ccc(O)c(Cl)c2)c1F ZINC000311640860 333070685 /nfs/dbraw/zinc/07/06/85/333070685.db2.gz POBUDUIDQVKFDT-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN Cc1ccc(C)c([C@@H](NCCF)c2ccccc2)c1 ZINC000311697411 333071337 /nfs/dbraw/zinc/07/13/37/333071337.db2.gz HAHBMLAPGGIKKS-KRWDZBQOSA-N 0 1 257.352 3.952 20 0 CHADMN CCCCc1noc([C@H](C)N[C@H]2CCCC[C@@H]2C)n1 ZINC000178638325 333076296 /nfs/dbraw/zinc/07/62/96/333076296.db2.gz FYKURJYTCRGEJN-AVGNSLFASA-N 0 1 265.401 3.642 20 0 CHADMN COc1ccc(CCNc2ccnc(C)c2Cl)cc1 ZINC000312107481 333076701 /nfs/dbraw/zinc/07/67/01/333076701.db2.gz KVKQGEOKUYPONI-UHFFFAOYSA-N 0 1 276.767 3.707 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(F)cc2)C(C)C)on1 ZINC000312125126 333077046 /nfs/dbraw/zinc/07/70/46/333077046.db2.gz YUGJLHSBYNNKIM-HNNXBMFYSA-N 0 1 262.328 3.609 20 0 CHADMN CC(C)COc1ccc(CN2CC3(CCC3(F)F)C2)cc1 ZINC000516942404 333087164 /nfs/dbraw/zinc/08/71/64/333087164.db2.gz RJXMBKIPGOHHIY-UHFFFAOYSA-N 0 1 295.373 3.953 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CC[C@@H]1CCC[C@@H](C)C1 ZINC000517161702 333093666 /nfs/dbraw/zinc/09/36/66/333093666.db2.gz YXAUUZDPPDTFAL-QLFBSQMISA-N 0 1 269.429 3.634 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000517543097 333101848 /nfs/dbraw/zinc/10/18/48/333101848.db2.gz QWFSFRJAGMQGMZ-LLVKDONJSA-N 0 1 299.349 3.561 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)NCc1ccc2[nH]cnc2c1 ZINC000517543097 333101850 /nfs/dbraw/zinc/10/18/50/333101850.db2.gz QWFSFRJAGMQGMZ-LLVKDONJSA-N 0 1 299.349 3.561 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)NCc1ccc2nc[nH]c2c1 ZINC000517543097 333101851 /nfs/dbraw/zinc/10/18/51/333101851.db2.gz QWFSFRJAGMQGMZ-LLVKDONJSA-N 0 1 299.349 3.561 20 0 CHADMN CCN(C(=O)c1cnc(-c2ccccc2)[nH]1)C1CCCCC1 ZINC000517623239 333104041 /nfs/dbraw/zinc/10/40/41/333104041.db2.gz PQVXNNPHEAWDTN-UHFFFAOYSA-N 0 1 297.402 3.872 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)CC3CCCC3)n[nH]2)cc1 ZINC000521186148 333114174 /nfs/dbraw/zinc/11/41/74/333114174.db2.gz DTUPIHARUPNAHL-UHFFFAOYSA-N 0 1 297.402 3.647 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cncc(C)c2)cc1F ZINC000184261696 333125963 /nfs/dbraw/zinc/12/59/63/333125963.db2.gz YXUHAFCPCJLRHT-STQMWFEESA-N 0 1 288.366 3.950 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cncc(C)c2)cc1F ZINC000184261714 333126052 /nfs/dbraw/zinc/12/60/52/333126052.db2.gz YXUHAFCPCJLRHT-CHWSQXEVSA-N 0 1 288.366 3.950 20 0 CHADMN Cc1cncc([C@H](C)NCc2cc(F)cc(F)c2)c1 ZINC000184266727 333126243 /nfs/dbraw/zinc/12/62/43/333126243.db2.gz ZKDPSGDTEJBXQE-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN C[C@H]1CCCC[C@H]1NCc1nc(CCc2ccccc2)no1 ZINC000184587982 333130081 /nfs/dbraw/zinc/13/00/81/333130081.db2.gz HPYPRMZTMQCTDR-GOEBONIOSA-N 0 1 299.418 3.523 20 0 CHADMN CC[C@@H](c1ccccc1)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000185262414 333137644 /nfs/dbraw/zinc/13/76/44/333137644.db2.gz YEBFIYLEAGVLSX-OXJNMPFZSA-N 0 1 293.476 3.761 20 0 CHADMN CC(C)c1nc([C@H](C)NCCc2nccs2)cs1 ZINC000186300294 333158410 /nfs/dbraw/zinc/15/84/10/333158410.db2.gz NKNLUIAMLGDJJK-JTQLQIEISA-N 0 1 281.450 3.616 20 0 CHADMN CO[C@H](CN[C@H](C)c1csc(C(C)C)n1)C(C)(C)C ZINC000186368840 333159557 /nfs/dbraw/zinc/15/95/57/333159557.db2.gz MFMNLIGLHSHXGM-DGCLKSJQSA-N 0 1 284.469 3.978 20 0 CHADMN CC(C)c1nc([C@H](C)NCC(C)(C)C[C@@H](C)O)cs1 ZINC000186413551 333160151 /nfs/dbraw/zinc/16/01/51/333160151.db2.gz CLVZYGXMDUVERT-NEPJUHHUSA-N 0 1 284.469 3.714 20 0 CHADMN Cc1nnc([C@@H](C)N[C@@H](C)CCc2ccccc2)s1 ZINC000337329546 335125621 /nfs/dbraw/zinc/12/56/21/335125621.db2.gz ZSOHXZBETLXDCG-NWDGAFQWSA-N 0 1 275.421 3.518 20 0 CHADMN CCCC[C@H](C)NCc1cc(COC(C)(C)C)on1 ZINC000186815750 333165440 /nfs/dbraw/zinc/16/54/40/333165440.db2.gz IKPPDOVMNWRHFV-LBPRGKRZSA-N 0 1 268.401 3.658 20 0 CHADMN CC(C)C[C@@H](C)NCc1cc(COC(C)(C)C)on1 ZINC000186829357 333165590 /nfs/dbraw/zinc/16/55/90/333165590.db2.gz CTUBBNCTEPEFRY-GFCCVEGCSA-N 0 1 268.401 3.514 20 0 CHADMN Cc1ccc(C)c(NS(=O)(=O)c2c(C)cccc2F)c1 ZINC000186900077 333166315 /nfs/dbraw/zinc/16/63/15/333166315.db2.gz KNDHZZOKEIXQOF-UHFFFAOYSA-N 0 1 293.363 3.552 20 0 CHADMN C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000521583812 333179238 /nfs/dbraw/zinc/17/92/38/333179238.db2.gz XMLBPRGPLXTADF-NEPJUHHUSA-N 0 1 271.364 3.718 20 0 CHADMN Cc1ccc(C)c(OCCN2Cc3ccccc3C2)c1 ZINC000521586121 333179277 /nfs/dbraw/zinc/17/92/77/333179277.db2.gz MUROZBNVIXXMTE-UHFFFAOYSA-N 0 1 267.372 3.698 20 0 CHADMN C[C@H](NCc1cnn2ccccc12)c1cc2ccccc2o1 ZINC000189092052 333180632 /nfs/dbraw/zinc/18/06/32/333180632.db2.gz IVLZKIGCBPUPNI-ZDUSSCGKSA-N 0 1 291.354 3.931 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc3c(n2)CCC3)cc1 ZINC000564178908 333184124 /nfs/dbraw/zinc/18/41/24/333184124.db2.gz XYOSSJSGHHFXNK-CQSZACIVSA-N 0 1 266.388 3.730 20 0 CHADMN C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000572523013 333184807 /nfs/dbraw/zinc/18/48/07/333184807.db2.gz RMLLQSDNBWRDIC-QWQRMKEZSA-N 0 1 297.398 3.943 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccc(CCC(C)C)cc1 ZINC000521721131 333184877 /nfs/dbraw/zinc/18/48/77/333184877.db2.gz LXEDCPDNDRIKHT-UHFFFAOYSA-N 0 1 271.364 3.559 20 0 CHADMN CCC[N@@H+](CC(=O)NCC(C)C)[C@@H](CC)c1ccccc1 ZINC000521820731 333190048 /nfs/dbraw/zinc/19/00/48/333190048.db2.gz UYYDDJGQIHIMHC-KRWDZBQOSA-N 0 1 290.451 3.622 20 0 CHADMN Cc1cc(CNCc2cnn(C)c2)ccc1-c1ccccc1 ZINC000189509883 333193988 /nfs/dbraw/zinc/19/39/88/333193988.db2.gz RZUQGIYEBFQSRN-UHFFFAOYSA-N 0 1 291.398 3.685 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCSC[C@H](C)C1 ZINC000190484776 333207533 /nfs/dbraw/zinc/20/75/33/333207533.db2.gz LRANGJSLVTWLJS-MNOVXSKESA-N 0 1 271.376 3.711 20 0 CHADMN CCC[C@@H](C)CN[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000191601748 333222388 /nfs/dbraw/zinc/22/23/88/333222388.db2.gz FXMAPVRYFVMNBX-KGLIPLIRSA-N 0 1 287.407 3.747 20 0 CHADMN Cc1noc(C)c1CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000191659160 333223136 /nfs/dbraw/zinc/22/31/36/333223136.db2.gz CNHZNMKIABKOOS-GFCCVEGCSA-N 0 1 290.329 3.702 20 0 CHADMN CC(C)c1cnc(CNC[C@@](C)(O)C2CCCCC2)s1 ZINC000191670006 333223447 /nfs/dbraw/zinc/22/34/47/333223447.db2.gz HNIHBDMQCVNOQM-MRXNPFEDSA-N 0 1 296.480 3.687 20 0 CHADMN C[C@@H](NCCCc1ccccc1)c1nc(C(C)(C)C)no1 ZINC000192680317 333237505 /nfs/dbraw/zinc/23/75/05/333237505.db2.gz STBIRZNQKJRZCL-CYBMUJFWSA-N 0 1 287.407 3.651 20 0 CHADMN CC[C@@H](C)N(Cc1cn2cccnc2n1)Cc1ccccc1 ZINC000193136139 333243210 /nfs/dbraw/zinc/24/32/10/333243210.db2.gz CASLMABMRZRECP-OAHLLOKOSA-N 0 1 294.402 3.530 20 0 CHADMN COc1ccc([C@H](C)N[C@H]2COCc3ccccc32)cc1 ZINC000226003744 333245284 /nfs/dbraw/zinc/24/52/84/333245284.db2.gz RRAZSSFRUBITBY-UGSOOPFHSA-N 0 1 283.371 3.617 20 0 CHADMN CCCCCN(Cc1nnc(CC)n1C)[C@@H](C)CCC ZINC000195111844 333245746 /nfs/dbraw/zinc/24/57/46/333245746.db2.gz PTBZNSPENWFTGU-AWEZNQCLSA-N 0 1 280.460 3.558 20 0 CHADMN Cc1ncc(CN(C)[C@@H](C)c2ccccc2C)s1 ZINC000193495131 333251438 /nfs/dbraw/zinc/25/14/38/333251438.db2.gz DPWMZKKEYVIFNM-LBPRGKRZSA-N 0 1 260.406 3.953 20 0 CHADMN COc1cc(CN2CCC[C@H](C(F)(F)F)C2)ccc1C ZINC000193613292 333254339 /nfs/dbraw/zinc/25/43/39/333254339.db2.gz NUNGWFKPBKVAJN-ZDUSSCGKSA-N 0 1 287.325 3.778 20 0 CHADMN CC(C)n1cc(CN[C@@H](C)c2ccc(Cl)cc2)cn1 ZINC000226237993 333254840 /nfs/dbraw/zinc/25/48/40/333254840.db2.gz HKHHUGOWVBQRCN-LBPRGKRZSA-N 0 1 277.799 3.968 20 0 CHADMN C[N@@H+](Cc1cccc(Cl)c1Cl)CC1(O)CCCC1 ZINC000227605828 333286851 /nfs/dbraw/zinc/28/68/51/333286851.db2.gz AZBZXARMYZCWLO-UHFFFAOYSA-N 0 1 288.218 3.730 20 0 CHADMN CN(Cc1cccc(Cl)c1Cl)CC1(O)CCCC1 ZINC000227605828 333286852 /nfs/dbraw/zinc/28/68/52/333286852.db2.gz AZBZXARMYZCWLO-UHFFFAOYSA-N 0 1 288.218 3.730 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)Nc2cccc(Cl)c2)c1 ZINC000522598670 333291962 /nfs/dbraw/zinc/29/19/62/333291962.db2.gz RBYBNUAAPIOSCG-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN CCCCN(C(=O)c1c(O)cccc1F)[C@@H](C)CC ZINC000228906164 333298519 /nfs/dbraw/zinc/29/85/19/333298519.db2.gz XFWRYSXICRFUHD-NSHDSACASA-N 0 1 267.344 3.572 20 0 CHADMN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000229426591 333304961 /nfs/dbraw/zinc/30/49/61/333304961.db2.gz GDWJYKYVBREJMX-OUAUKWLOSA-N 0 1 281.783 3.552 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cncc(F)c2)cc1 ZINC000230938040 333323017 /nfs/dbraw/zinc/32/30/17/333323017.db2.gz XKGKCXFJJNUNKM-GFCCVEGCSA-N 0 1 258.340 3.634 20 0 CHADMN Cc1ccccc1[C@@H]1CCN([C@H](C)C(=O)OC(C)(C)C)C1 ZINC000523441314 333327046 /nfs/dbraw/zinc/32/70/46/333327046.db2.gz LKMSJESOUBPWHI-HUUCEWRRSA-N 0 1 289.419 3.515 20 0 CHADMN CC[C@@H]1CCCN1CC(=O)Nc1ccccc1C(C)(C)C ZINC000523605667 333333842 /nfs/dbraw/zinc/33/38/42/333333842.db2.gz IYWHNPNOLSCQKH-CQSZACIVSA-N 0 1 288.435 3.797 20 0 CHADMN CCN(CC)[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000302981110 333336494 /nfs/dbraw/zinc/33/64/94/333336494.db2.gz VEYGOIYSCYAZDE-VIFPVBQESA-N 0 1 289.206 3.662 20 0 CHADMN C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000524405648 333361600 /nfs/dbraw/zinc/36/16/00/333361600.db2.gz HOVOINSVNVFBIG-CHWSQXEVSA-N 0 1 298.390 3.627 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2csc(C(C)(C)C)n2)C1 ZINC000524620985 333369211 /nfs/dbraw/zinc/36/92/11/333369211.db2.gz PUMGMZGWJZVKLO-MNOVXSKESA-N 0 1 252.427 3.671 20 0 CHADMN CC[C@H](C)[N@@H+](CCCc1cccc2ccccc21)CC(=O)[O-] ZINC000236969809 333376818 /nfs/dbraw/zinc/37/68/18/333376818.db2.gz RICVFECZZVSFNZ-HNNXBMFYSA-N 0 1 299.414 3.958 20 0 CHADMN CC1(C)CCN(Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000524766766 333387307 /nfs/dbraw/zinc/38/73/07/333387307.db2.gz ZOZDPXTYJOWBLV-UHFFFAOYSA-N 0 1 295.810 3.733 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])CC1CCC(C)(C)CC1 ZINC000575995097 335139528 /nfs/dbraw/zinc/13/95/28/335139528.db2.gz BVRMYEQXNVFZKP-UHFFFAOYSA-N 0 1 269.429 3.636 20 0 CHADMN C[C@@H]1CSC[C@H]1N[C@@H](c1ccccc1)c1ccccn1 ZINC000397820487 333429346 /nfs/dbraw/zinc/42/93/46/333429346.db2.gz UGYWUFRTVKQACT-XYPHTWIQSA-N 0 1 284.428 3.512 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)NC/C=C(/C)Cl ZINC000528432360 333437227 /nfs/dbraw/zinc/43/72/27/333437227.db2.gz IAXKHEFRIQRKOR-ABRRARGCSA-N 0 1 257.736 3.628 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000123318276 333453364 /nfs/dbraw/zinc/45/33/64/333453364.db2.gz HCKZHNRVWVSJQE-GHMZBOCLSA-N 0 1 291.782 3.763 20 0 CHADMN Cc1cc(Cl)cc(CNCc2cccc(O)c2)c1 ZINC000339220520 335142649 /nfs/dbraw/zinc/14/26/49/335142649.db2.gz XOFUASPOCJLRDE-UHFFFAOYSA-N 0 1 261.752 3.644 20 0 CHADMN Cc1[nH]c2c(cc(C)cc2CNCc2ccc(F)cn2)c1C ZINC000529538227 333495063 /nfs/dbraw/zinc/49/50/63/333495063.db2.gz MTZDKFFZNIKVJO-UHFFFAOYSA-N 0 1 297.377 3.917 20 0 CHADMN COc1ccccc1[C@@H](CO)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000537981647 333553618 /nfs/dbraw/zinc/55/36/18/333553618.db2.gz UNHNWAHVLUBORI-MAUKXSAKSA-N 0 1 299.414 3.696 20 0 CHADMN CC[C@H](C(=O)Nc1cccc(Nc2ccccc2)c1)N(C)C ZINC000125205720 333564858 /nfs/dbraw/zinc/56/48/58/333564858.db2.gz ADMMWHFGMAKSAM-QGZVFWFLSA-N 0 1 297.402 3.709 20 0 CHADMN OC[C@@H]1CCCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000339751046 335148034 /nfs/dbraw/zinc/14/80/34/335148034.db2.gz DZKSCTXARDMCGY-LLVKDONJSA-N 0 1 288.218 3.588 20 0 CHADMN CC(C)c1noc([C@@H](C)N[C@@H](C)C2CCCCC2)n1 ZINC000174140017 335148884 /nfs/dbraw/zinc/14/88/84/335148884.db2.gz OXWNZJCFJUFZCY-NWDGAFQWSA-N 0 1 265.401 3.812 20 0 CHADMN Cc1cccc(NS(=O)(=O)c2cccc(C)c2Cl)c1 ZINC000538307732 333584320 /nfs/dbraw/zinc/58/43/20/333584320.db2.gz DYCZGUTWLDRSPE-UHFFFAOYSA-N 0 1 295.791 3.758 20 0 CHADMN CCC(CC)CC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000125953117 333584741 /nfs/dbraw/zinc/58/47/41/333584741.db2.gz IGZWTPNWUAABSF-HNNXBMFYSA-N 0 1 294.439 3.605 20 0 CHADMN CC[C@H](NCc1nc([C@H](C)OCC(C)C)no1)C(C)(C)C ZINC000538392146 333587515 /nfs/dbraw/zinc/58/75/15/333587515.db2.gz MDMSYSORRKOXLF-STQMWFEESA-N 0 1 297.443 3.718 20 0 CHADMN COc1ccccc1[C@H](CO)N[C@H](C)c1cc(C)ccc1C ZINC000539084961 333656694 /nfs/dbraw/zinc/65/66/94/333656694.db2.gz HUTJVYMGMPGTGA-QAPCUYQASA-N 0 1 299.414 3.696 20 0 CHADMN Cc1nc2c(n1CCOc1c(C)cccc1C)CCCC2 ZINC000576097180 335152871 /nfs/dbraw/zinc/15/28/71/335152871.db2.gz NURLVLUKGPSTSK-UHFFFAOYSA-N 0 1 284.403 3.766 20 0 CHADMN C[C@H](CN[C@@H](C)c1c(F)cccc1F)C(F)(F)F ZINC000539231505 333662385 /nfs/dbraw/zinc/66/23/85/333662385.db2.gz VKMSKCLFKFRBOH-SFYZADRCSA-N 0 1 267.241 3.814 20 0 CHADMN CO[C@@H](C)[C@H](C)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000539691102 333685630 /nfs/dbraw/zinc/68/56/30/333685630.db2.gz XPPWOCUEBPPIPJ-UWVGGRQHSA-N 0 1 288.218 3.996 20 0 CHADMN Cc1ccsc1[C@H](CO)N[C@@H](C)c1ccc(F)cc1F ZINC000540155085 333714432 /nfs/dbraw/zinc/71/44/32/333714432.db2.gz IAMKLDKEWOQVPX-HZMBPMFUSA-N 0 1 297.370 3.719 20 0 CHADMN C[C@H](NCc1ccoc1)c1cnc2ccsc2c1 ZINC000129313273 333755851 /nfs/dbraw/zinc/75/58/51/333755851.db2.gz WLXNQEUGYJWVSK-JTQLQIEISA-N 0 1 258.346 3.740 20 0 CHADMN COC[C@H](NCc1csc(C2CCCC2)n1)C(C)C ZINC000541597139 333783503 /nfs/dbraw/zinc/78/35/03/333783503.db2.gz UDOZXQWGOJPCQM-AWEZNQCLSA-N 0 1 282.453 3.561 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@H](C)c2cncc(F)c2)s1 ZINC000129819841 333795671 /nfs/dbraw/zinc/79/56/71/333795671.db2.gz JYIBBOKFSGUXLL-RKDXNWHRSA-N 0 1 279.384 3.706 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cc(OC)ccn2)cc1 ZINC000542253703 333818902 /nfs/dbraw/zinc/81/89/02/333818902.db2.gz MZVRZTQKNWPCTD-UHFFFAOYSA-N 0 1 284.403 3.678 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1scnc1C ZINC000071212915 333848796 /nfs/dbraw/zinc/84/87/96/333848796.db2.gz YLUABHSIBKJRSG-NSHDSACASA-N 0 1 276.405 3.619 20 0 CHADMN CC(C)C[C@@H](NCc1ccno1)c1cccs1 ZINC000543484763 333877222 /nfs/dbraw/zinc/87/72/22/333877222.db2.gz JASXXQDWJPQHPO-GFCCVEGCSA-N 0 1 250.367 3.613 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cc(C)cc(C)c1)c1ccn(C)n1 ZINC000543601679 333883343 /nfs/dbraw/zinc/88/33/43/333883343.db2.gz JDSHHJWHSZJNPB-GOEBONIOSA-N 0 1 271.408 3.839 20 0 CHADMN Cc1noc([C@H](C)NCCCc2cccc3ccccc32)n1 ZINC000544477074 333933340 /nfs/dbraw/zinc/93/33/40/333933340.db2.gz IYLQTPALIMNBJX-ZDUSSCGKSA-N 0 1 295.386 3.815 20 0 CHADMN CC[C@H](CC(F)(F)F)NCc1cc(F)ccc1F ZINC000544835992 333948665 /nfs/dbraw/zinc/94/86/65/333948665.db2.gz GMBQLWPQRILNAH-SNVBAGLBSA-N 0 1 267.241 3.785 20 0 CHADMN CCc1ccc(CNCc2nc3cc(C)ccc3n2C)s1 ZINC000546011203 334012112 /nfs/dbraw/zinc/01/21/12/334012112.db2.gz ODFDKNVKFUCCMG-UHFFFAOYSA-N 0 1 299.443 3.795 20 0 CHADMN CCC(CC)N(Cc1ncc(Cl)s1)C1CC1 ZINC000546035225 334013864 /nfs/dbraw/zinc/01/38/64/334013864.db2.gz HMWCFTXYNAUJCS-UHFFFAOYSA-N 0 1 258.818 3.950 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1nc2ccccc2n1C ZINC000546167262 334018025 /nfs/dbraw/zinc/01/80/25/334018025.db2.gz YBFPJUPXAVXOTC-QWRGUYRKSA-N 0 1 299.340 3.955 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N2CCC(C)CC2)n1 ZINC000074981265 334021781 /nfs/dbraw/zinc/02/17/81/334021781.db2.gz BBQCGNZZASYTOW-AWEZNQCLSA-N 0 1 285.391 3.838 20 0 CHADMN CC(C)C[C@@H]1CCN([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000074994135 334022246 /nfs/dbraw/zinc/02/22/46/334022246.db2.gz DLRMNJAVZJJUHY-STQMWFEESA-N 0 1 279.428 3.796 20 0 CHADMN CCC(CC)c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000546458217 334033533 /nfs/dbraw/zinc/03/35/33/334033533.db2.gz YBCGVUSAMYVCAN-UHFFFAOYSA-N 0 1 291.370 3.841 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2NCc1ccc(F)cc1F ZINC000133387306 334039671 /nfs/dbraw/zinc/03/96/71/334039671.db2.gz YRYLVMRLYVIBES-MRXNPFEDSA-N 0 1 277.289 3.881 20 0 CHADMN Clc1cccc(-c2nc(CN3CCCCC3)co2)c1 ZINC000075608045 334046797 /nfs/dbraw/zinc/04/67/97/334046797.db2.gz WQYHHSXEOGAPPC-UHFFFAOYSA-N 0 1 276.767 3.981 20 0 CHADMN CC(C)N(Cc1coc(-c2ccc(F)cc2)n1)C1CC1 ZINC000075610539 334046986 /nfs/dbraw/zinc/04/69/86/334046986.db2.gz MEQQDMWCAXZVMD-UHFFFAOYSA-N 0 1 274.339 3.854 20 0 CHADMN CCc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2C)o1 ZINC000133630474 334048278 /nfs/dbraw/zinc/04/82/78/334048278.db2.gz SXYWJTRQYVFMCF-SJCJKPOMSA-N 0 1 255.361 3.865 20 0 CHADMN CN(Cc1ncc(-c2ccc(Cl)cc2)o1)C1CCC1 ZINC000075842696 334054327 /nfs/dbraw/zinc/05/43/27/334054327.db2.gz AFQXJEHPIYAMMQ-UHFFFAOYSA-N 0 1 276.767 3.979 20 0 CHADMN Fc1ccc(-c2noc(-c3cc(-c4ccoc4)n[nH]3)n2)cc1 ZINC000546942702 334057278 /nfs/dbraw/zinc/05/72/78/334057278.db2.gz ARXGADKXAXZJHL-UHFFFAOYSA-N 0 1 296.261 3.526 20 0 CHADMN CC[C@H](CC(F)(F)F)NCc1cc(F)c(F)cc1F ZINC000546972332 334058967 /nfs/dbraw/zinc/05/89/67/334058967.db2.gz LYZGIKPLXBVNFT-MRVPVSSYSA-N 0 1 285.231 3.925 20 0 CHADMN Cc1cc(-c2noc(C(C3CC3)C3CC3)n2)cc2nc[nH]c21 ZINC000547138934 334068809 /nfs/dbraw/zinc/06/88/09/334068809.db2.gz PVLVNHJFUPNTFG-UHFFFAOYSA-N 0 1 294.358 3.825 20 0 CHADMN Cc1ccc(F)c(-c2nc(-c3ccc4[nH]cnc4c3)no2)c1 ZINC000547144303 334069083 /nfs/dbraw/zinc/06/90/83/334069083.db2.gz KUSMAXFLSJJIFG-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN C[C@@H]1CCCN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000076114548 334072991 /nfs/dbraw/zinc/07/29/91/334072991.db2.gz IUMUIBAYUBJBHM-LLVKDONJSA-N 0 1 276.767 3.979 20 0 CHADMN COc1ccc(-c2nc(CN3CCC[C@@H]3C)cs2)cc1 ZINC000076116162 334073091 /nfs/dbraw/zinc/07/30/91/334073091.db2.gz NSSPSFCANMSOMC-LBPRGKRZSA-N 0 1 288.416 3.803 20 0 CHADMN C[C@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccoc1 ZINC000133981421 334076673 /nfs/dbraw/zinc/07/66/73/334076673.db2.gz QJZJMTJCBKSPNB-JTQLQIEISA-N 0 1 293.750 3.555 20 0 CHADMN CC(C)Oc1ccc(CN[C@H](C)c2ccoc2)cc1 ZINC000134046809 334078308 /nfs/dbraw/zinc/07/83/08/334078308.db2.gz BZRFESUFVWSKMM-CYBMUJFWSA-N 0 1 259.349 3.918 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2nc(C(C)C)no2)C1 ZINC000076386143 334080209 /nfs/dbraw/zinc/08/02/09/334080209.db2.gz DUJARXHUZLQKAU-HUUCEWRRSA-N 0 1 299.418 3.879 20 0 CHADMN C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000134969955 334110109 /nfs/dbraw/zinc/11/01/09/334110109.db2.gz BLDOKJCJROTQCM-QWRGUYRKSA-N 0 1 268.198 3.679 20 0 CHADMN C[C@@H](NCc1ccoc1)c1ccc(F)c(Cl)c1 ZINC000134285091 334086894 /nfs/dbraw/zinc/08/68/94/334086894.db2.gz IBXXJQOVWGOVPJ-SECBINFHSA-N 0 1 253.704 3.923 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCCc3cccnc3)n2)cc1 ZINC000134302891 334087503 /nfs/dbraw/zinc/08/75/03/334087503.db2.gz HJXBXJXVVOPNED-UHFFFAOYSA-N 0 1 296.399 3.510 20 0 CHADMN Cc1nc(CN2CCC(C(C)(C)C)CC2)cs1 ZINC000076731484 334088102 /nfs/dbraw/zinc/08/81/02/334088102.db2.gz NPVKPUGXLBXEQT-UHFFFAOYSA-N 0 1 252.427 3.710 20 0 CHADMN CCc1ccc(C(C)(C)NCc2ccc(C)cn2)cc1 ZINC000134398083 334089643 /nfs/dbraw/zinc/08/96/43/334089643.db2.gz UQLQLJNJDSSMON-UHFFFAOYSA-N 0 1 268.404 3.977 20 0 CHADMN CCc1nc(CN(C)c2ccc(-c3ccccc3)cc2)n[nH]1 ZINC000547464586 334090561 /nfs/dbraw/zinc/09/05/61/334090561.db2.gz KSWUSUVJCGLPJI-UHFFFAOYSA-N 0 1 292.386 3.671 20 0 CHADMN CC(C)N(Cc1nc2cc(Cl)ccc2n1C)C1CC1 ZINC000076902796 334090843 /nfs/dbraw/zinc/09/08/43/334090843.db2.gz KXLYCOKOSDAHCS-UHFFFAOYSA-N 0 1 277.799 3.600 20 0 CHADMN C[C@H]1CN(C(=O)c2ccc(O)c(Cl)c2)c2ccccc21 ZINC000077215954 334099041 /nfs/dbraw/zinc/09/90/41/334099041.db2.gz XQTXKPXMNRCZHK-JTQLQIEISA-N 0 1 287.746 3.810 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2nc3c(s2)CCC3)cc1 ZINC000134668987 334099755 /nfs/dbraw/zinc/09/97/55/334099755.db2.gz NUZWZOGNYVUHIG-LBPRGKRZSA-N 0 1 272.417 3.791 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2nc3c(s2)CCC3)s1 ZINC000134771055 334103635 /nfs/dbraw/zinc/10/36/35/334103635.db2.gz PAWZMUIXNQBFPE-JTQLQIEISA-N 0 1 278.446 3.853 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2occc2C)cc1 ZINC000135137297 334117371 /nfs/dbraw/zinc/11/73/71/334117371.db2.gz NZSFOAOXCIIJEF-CYBMUJFWSA-N 0 1 259.349 3.838 20 0 CHADMN Cc1cccc([C@H]2CCN(Cc3nc4ccccc4[nH]3)C2)c1 ZINC000547830942 334124503 /nfs/dbraw/zinc/12/45/03/334124503.db2.gz IKWDQSATRJGZRO-INIZCTEOSA-N 0 1 291.398 3.861 20 0 CHADMN CCC[C@@H]1CCCC[C@@H]1NCc1nc(C(C)(C)C)no1 ZINC000547832745 334124844 /nfs/dbraw/zinc/12/48/44/334124844.db2.gz UPXIGOLKHUKXRO-OLZOCXBDSA-N 0 1 279.428 3.816 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](NCc1ccc(CO)o1)CC2 ZINC000547972091 334132415 /nfs/dbraw/zinc/13/24/15/334132415.db2.gz YNKDSYWLZWQRSB-SFHVURJKSA-N 0 1 285.387 3.672 20 0 CHADMN Cc1cc(-c2noc([C@H](C)N3CCCCC3)n2)ccc1F ZINC000078453308 334133904 /nfs/dbraw/zinc/13/39/04/334133904.db2.gz CDINPRDJGURLBT-LBPRGKRZSA-N 0 1 289.354 3.731 20 0 CHADMN C[C@H]1C[C@H](c2cccnc2)N(Cc2cnc(C3CC3)s2)C1 ZINC000547997484 334134503 /nfs/dbraw/zinc/13/45/03/334134503.db2.gz XCMYAASUFPXOBI-BLLLJJGKSA-N 0 1 299.443 3.999 20 0 CHADMN C[C@@H]1C[C@H](C)N1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000548096391 334139530 /nfs/dbraw/zinc/13/95/30/334139530.db2.gz OXKQGJPSBWUYIH-PHIMTYICSA-N 0 1 276.767 3.978 20 0 CHADMN C[C@H](c1ccccc1Br)N1[C@H](C)C[C@@H]1C ZINC000548096200 334139764 /nfs/dbraw/zinc/13/97/64/334139764.db2.gz DVJZGYSUFQWAPF-OUAUKWLOSA-N 0 1 268.198 3.993 20 0 CHADMN CCC(C)(C)N(C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000548099353 334139982 /nfs/dbraw/zinc/13/99/82/334139982.db2.gz YRBHJZABLDJWNK-UHFFFAOYSA-N 0 1 293.798 3.609 20 0 CHADMN CSCc1cccc(NC(=O)c2c(O)cccc2F)c1 ZINC000548120663 334140824 /nfs/dbraw/zinc/14/08/24/334140824.db2.gz STSBEXQBDCMQDI-UHFFFAOYSA-N 0 1 291.347 3.647 20 0 CHADMN CCC(CC)CN(CC)C(=O)c1c(C)n[nH]c1C(C)C ZINC000135945568 334141681 /nfs/dbraw/zinc/14/16/81/334141681.db2.gz AGTVTIZFGOSYFG-UHFFFAOYSA-N 0 1 279.428 3.740 20 0 CHADMN CCC[C@H](NC(=O)[C@@H](C)N1[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000548426006 334155598 /nfs/dbraw/zinc/15/55/98/334155598.db2.gz BHZIWZQSGCWDNK-DLTWYDFYSA-N 0 1 288.435 3.515 20 0 CHADMN C[C@H](N(C)Cc1nc(-c2ccccc2F)no1)C(C)(C)C ZINC000548722102 334167321 /nfs/dbraw/zinc/16/73/21/334167321.db2.gz HSCXYFANRYLUMM-NSHDSACASA-N 0 1 291.370 3.742 20 0 CHADMN COC(=O)c1sc2ccccc2c1CN1[C@H](C)C[C@@H]1C ZINC000548754131 334169953 /nfs/dbraw/zinc/16/99/53/334169953.db2.gz TZROMONDXXIQFM-PHIMTYICSA-N 0 1 289.400 3.671 20 0 CHADMN C[C@@H]1C[C@H](Sc2nc(-c3ccccc3)n[nH]2)C[C@H](C)O1 ZINC000549011497 334182428 /nfs/dbraw/zinc/18/24/28/334182428.db2.gz BFPOMSGXDBJNSK-PJXYFTJBSA-N 0 1 289.404 3.520 20 0 CHADMN C[C@H](c1cccc2ccccc21)N1CCC(=O)[C@H](C)C1 ZINC000549066194 334184310 /nfs/dbraw/zinc/18/43/10/334184310.db2.gz MXLUXRNWXFJKCD-ZIAGYGMSSA-N 0 1 267.372 3.812 20 0 CHADMN Fc1ccc2c(c1)CCN(C[C@H]1CCC3(CCCC3)O1)C2 ZINC000549136858 334186055 /nfs/dbraw/zinc/18/60/55/334186055.db2.gz KYENALLZPMNRFL-QGZVFWFLSA-N 0 1 289.394 3.676 20 0 CHADMN c1onc(Cc2ccccc2)c1CNCc1ccccc1 ZINC000549691393 334201870 /nfs/dbraw/zinc/20/18/70/334201870.db2.gz BCHBWMRGCYTFNU-UHFFFAOYSA-N 0 1 278.355 3.555 20 0 CHADMN CCC[C@H](C)CN1CCO[C@@H](c2cccs2)C1 ZINC000245610157 334207214 /nfs/dbraw/zinc/20/72/14/334207214.db2.gz ATPRZHQNNPFLCO-QWHCGFSZSA-N 0 1 253.411 3.558 20 0 CHADMN Cc1ccc(OC(F)F)c(CN[C@H]2CCC[C@H]2F)c1 ZINC000549936792 334209817 /nfs/dbraw/zinc/20/98/17/334209817.db2.gz XUMBTPVPUVGROZ-NEPJUHHUSA-N 0 1 273.298 3.577 20 0 CHADMN CSCc1cnc(CN[C@H](C)Cc2ccsc2)s1 ZINC000550106354 334213403 /nfs/dbraw/zinc/21/34/03/334213403.db2.gz OIGQUQURZDRGII-SNVBAGLBSA-N 0 1 298.502 3.788 20 0 CHADMN Cc1sccc1CN[C@@H]1COc2c1ccc(C)c2C ZINC000550142184 334214275 /nfs/dbraw/zinc/21/42/75/334214275.db2.gz BARBPOVGDLOOQR-OAHLLOKOSA-N 0 1 273.401 3.897 20 0 CHADMN CCOC1(CNCc2ncc(C(C)(C)C)s2)CCCC1 ZINC000550271458 334218330 /nfs/dbraw/zinc/21/83/30/334218330.db2.gz NYLZBGQGJLHWFS-UHFFFAOYSA-N 0 1 296.480 3.880 20 0 CHADMN FCCCCCN1CCc2cc(Cl)ccc2C1 ZINC000551448328 334250479 /nfs/dbraw/zinc/25/04/79/334250479.db2.gz NYFPDGBWROJYGL-UHFFFAOYSA-N 0 1 255.764 3.838 20 0 CHADMN Cc1c(Br)cccc1CN1C[C@@H](C)[C@@H]1C ZINC000550305850 334219608 /nfs/dbraw/zinc/21/96/08/334219608.db2.gz KDBXSCYCHLGANO-KOLCDFICSA-N 0 1 268.198 3.598 20 0 CHADMN C[C@H](c1ccccc1Br)N1C[C@@H](C)[C@@H]1C ZINC000550311928 334219874 /nfs/dbraw/zinc/21/98/74/334219874.db2.gz KJZYZIQRCPUDHO-OUAUKWLOSA-N 0 1 268.198 3.850 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@@H](C)c2csc(CC)n2)C1(C)C ZINC000245844399 334221101 /nfs/dbraw/zinc/22/11/01/334221101.db2.gz FEHRRWNUQRLEBX-CYZMBNFOSA-N 0 1 282.453 3.560 20 0 CHADMN CC(C)(C)OC(=O)c1ccc(CN2CCC[C@@H]2CF)cc1 ZINC000550409474 334221918 /nfs/dbraw/zinc/22/19/18/334221918.db2.gz IZHAEXHGTBAHSJ-OAHLLOKOSA-N 0 1 293.382 3.576 20 0 CHADMN CCC[C@@H](C)CN1CCO[C@@H](c2ccsc2)C1 ZINC000245868839 334222280 /nfs/dbraw/zinc/22/22/80/334222280.db2.gz RAAVNIAUBYJSEO-TZMCWYRMSA-N 0 1 253.411 3.558 20 0 CHADMN CC(C)[C@@H]1CN(Cc2ccc(F)cc2Cl)CCCO1 ZINC000550558207 334224313 /nfs/dbraw/zinc/22/43/13/334224313.db2.gz DKIYOJWEYVNTLJ-HNNXBMFYSA-N 0 1 285.790 3.726 20 0 CHADMN CCc1ccc2nc(-c3ccc(N4CCCC4)nc3)[nH]c2c1 ZINC000550859163 334230611 /nfs/dbraw/zinc/23/06/11/334230611.db2.gz AYENEYMHLOPIGW-UHFFFAOYSA-N 0 1 292.386 3.788 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cn2ccccc2n1)c1ccncc1 ZINC000550910256 334233361 /nfs/dbraw/zinc/23/33/61/334233361.db2.gz NOJWBUAJEDDZCX-DZGCQCFKSA-N 0 1 280.375 3.531 20 0 CHADMN CC(C)[C@H](O)CN(Cc1c(F)cccc1F)C1CCCC1 ZINC000551092442 334238447 /nfs/dbraw/zinc/23/84/47/334238447.db2.gz GBKCONXMERDARS-QGZVFWFLSA-N 0 1 297.389 3.726 20 0 CHADMN CC(F)(F)CN[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000551255816 334243095 /nfs/dbraw/zinc/24/30/95/334243095.db2.gz TWVHIUHTYOTEHP-UONOGXRCSA-N 0 1 253.336 3.958 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(C)ccn2)cc1Cl ZINC000552062731 334283556 /nfs/dbraw/zinc/28/35/56/334283556.db2.gz FAQDVJUYVLXUDH-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CCCCN[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000552064650 334284097 /nfs/dbraw/zinc/28/40/97/334284097.db2.gz FMZUUHBFXROMRL-AWEZNQCLSA-N 0 1 277.799 3.553 20 0 CHADMN Fc1ccccc1CN(CCOc1ccccc1)C1CC1 ZINC000247545219 334285222 /nfs/dbraw/zinc/28/52/22/334285222.db2.gz UGEZDEXCPVENQO-UHFFFAOYSA-N 0 1 285.362 3.869 20 0 CHADMN Cc1cccc(CN(C)Cc2ccnc3ccccc23)n1 ZINC000552071386 334285731 /nfs/dbraw/zinc/28/57/31/334285731.db2.gz AGLLFZYEYBZLHU-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN COC[C@@H]1CCN1Cc1ccc(-c2ccccc2)cc1F ZINC000552084687 334287168 /nfs/dbraw/zinc/28/71/68/334287168.db2.gz UOXWNLPDSXZZQW-KRWDZBQOSA-N 0 1 285.362 3.713 20 0 CHADMN CC1(C)CN(Cc2c(F)ccc(O)c2F)[C@H]2CCC[C@H]21 ZINC000552139454 334293944 /nfs/dbraw/zinc/29/39/44/334293944.db2.gz HYLQUAPHGRIWIM-YPMHNXCESA-N 0 1 281.346 3.681 20 0 CHADMN C[C@@H]1CN(C(=O)c2ccc(O)c(Cl)c2)[C@H]2CCCC[C@@H]12 ZINC000248385894 334299900 /nfs/dbraw/zinc/29/99/00/334299900.db2.gz KJJYAIAEKQNNKB-OSMZGAPFSA-N 0 1 293.794 3.696 20 0 CHADMN CSCc1ccc(C[NH2+]Cc2ccc3nc[nH]c3c2)cc1 ZINC000552201103 334302260 /nfs/dbraw/zinc/30/22/60/334302260.db2.gz VDNRSJMYLJWRPZ-UHFFFAOYSA-N 0 1 297.427 3.716 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CCCC[C@@H](C)C1 ZINC000248541676 334305507 /nfs/dbraw/zinc/30/55/07/334305507.db2.gz CBMSJNKLOKMDTF-VXGBXAGGSA-N 0 1 265.401 3.550 20 0 CHADMN CCc1nc([C@H](C)N[C@H]2C[C@@H](OC(C)C)C2(C)C)cs1 ZINC000248835505 334319268 /nfs/dbraw/zinc/31/92/68/334319268.db2.gz MYVGPBKQAZPHER-FPMFFAJLSA-N 0 1 296.480 3.948 20 0 CHADMN CCc1nc([C@H](C)N[C@@H]2C[C@@H](OC(C)C)C2(C)C)cs1 ZINC000248835506 334319281 /nfs/dbraw/zinc/31/92/81/334319281.db2.gz MYVGPBKQAZPHER-IACUBPJLSA-N 0 1 296.480 3.948 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCSC[C@H](C)C1 ZINC000248986275 334323724 /nfs/dbraw/zinc/32/37/24/334323724.db2.gz GKPIKPRYOVHMDR-GHMZBOCLSA-N 0 1 271.376 3.711 20 0 CHADMN CC[N@@H+](C[C@@H](O)CSC)[C@H](C)c1cc2ccccc2o1 ZINC000249275139 334330979 /nfs/dbraw/zinc/33/09/79/334330979.db2.gz LVOKEACXHSBSOF-TZMCWYRMSA-N 0 1 293.432 3.540 20 0 CHADMN CCCCCNC(=O)[C@@H](C)N1CCC[C@H]1c1cccs1 ZINC000249317587 334331876 /nfs/dbraw/zinc/33/18/76/334331876.db2.gz KAAPIOBXBVMNQP-KGLIPLIRSA-N 0 1 294.464 3.580 20 0 CHADMN Cc1cc(CN2CCCC[C@@H]2Cc2ccc(F)cc2)no1 ZINC000552526338 334333758 /nfs/dbraw/zinc/33/37/58/334333758.db2.gz WYENFZFLQXYVKE-QGZVFWFLSA-N 0 1 288.366 3.719 20 0 CHADMN C[C@H](Cc1ccccc1)CN1CCO[C@@H](c2ccco2)C1 ZINC000249492159 334334881 /nfs/dbraw/zinc/33/48/81/334334881.db2.gz ZWGAIVLGCAOADB-CRAIPNDOSA-N 0 1 285.387 3.532 20 0 CHADMN CC(C)c1ccc([C@@H]2CCCN2C(=O)c2ccn[nH]2)cc1 ZINC000089358096 334344555 /nfs/dbraw/zinc/34/45/55/334344555.db2.gz WEEFTDOJHYCNLI-INIZCTEOSA-N 0 1 283.375 3.510 20 0 CHADMN COC[C@H](N[C@H](C)c1ccccc1N(C)C)c1ccccc1 ZINC000089667897 334348254 /nfs/dbraw/zinc/34/82/54/334348254.db2.gz XFSKRWLMOGFICT-QAPCUYQASA-N 0 1 298.430 3.791 20 0 CHADMN Cc1cnc(CN2CCCC[C@@H]2CCc2ccccc2)o1 ZINC000090010546 334355457 /nfs/dbraw/zinc/35/54/57/334355457.db2.gz OHSCRZBMFBLKGF-QGZVFWFLSA-N 0 1 284.403 3.970 20 0 CHADMN COc1cc(-c2nc3ccc(C)c(C)c3[nH]2)cc(OC)c1O ZINC000090065951 334356722 /nfs/dbraw/zinc/35/67/22/334356722.db2.gz JFJMAGLTBLHANA-UHFFFAOYSA-N 0 1 298.342 3.570 20 0 CHADMN CC(=O)Nc1ccc(-c2nc3ccc(C)c(C)c3[nH]2)cc1 ZINC000090065919 334356793 /nfs/dbraw/zinc/35/67/93/334356793.db2.gz VZYPYTKGOYAQFO-UHFFFAOYSA-N 0 1 279.343 3.805 20 0 CHADMN Cc1cc(C)c([C@H](C)NCc2cccc(N(C)C)n2)cc1C ZINC000090851576 334368468 /nfs/dbraw/zinc/36/84/68/334368468.db2.gz WTFQCIGEXXNPNU-INIZCTEOSA-N 0 1 297.446 3.924 20 0 CHADMN Cc1cc(C)c([C@@H](C)NCc2cccc(N(C)C)n2)cc1C ZINC000090851574 334368564 /nfs/dbraw/zinc/36/85/64/334368564.db2.gz WTFQCIGEXXNPNU-MRXNPFEDSA-N 0 1 297.446 3.924 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)NCc1cc[nH]c1 ZINC000090994604 334370572 /nfs/dbraw/zinc/37/05/72/334370572.db2.gz HGFYSOVJDLWPJU-CYBMUJFWSA-N 0 1 258.365 3.653 20 0 CHADMN CC(C)c1cc(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2)n[nH]1 ZINC000553337383 334378830 /nfs/dbraw/zinc/37/88/30/334378830.db2.gz HRFXOWDMOWRKRB-DYVFJYSZSA-N 0 1 297.402 3.756 20 0 CHADMN CC(C)CO[C@@H]1CCN(Cc2cnc(C(C)(C)C)s2)C1 ZINC000091964522 334387428 /nfs/dbraw/zinc/38/74/28/334387428.db2.gz KYBSAFDYMJIIJS-CYBMUJFWSA-N 0 1 296.480 3.688 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@H]1NCc1ccnc2ccccc12 ZINC000554723794 334448803 /nfs/dbraw/zinc/44/88/03/334448803.db2.gz RNNUOGSCZVAUTE-DJJJIMSYSA-N 0 1 290.366 3.847 20 0 CHADMN COc1ccc(F)c(CN[C@@H]2CCc3ccc(F)cc32)c1 ZINC000555550698 334481330 /nfs/dbraw/zinc/48/13/30/334481330.db2.gz WNMYWNJPJUCEJI-QGZVFWFLSA-N 0 1 289.325 3.751 20 0 CHADMN Cc1cc([C@H](C)NCCc2ccc(F)cc2Cl)no1 ZINC000556264416 334504784 /nfs/dbraw/zinc/50/47/84/334504784.db2.gz NNVKUZPIXZTRFI-JTQLQIEISA-N 0 1 282.746 3.669 20 0 CHADMN COc1ccc([C@H](C)NCc2c(C)nsc2C)cc1F ZINC000565167314 334542262 /nfs/dbraw/zinc/54/22/62/334542262.db2.gz WBTGFNDCFWZKJP-VIFPVBQESA-N 0 1 294.395 3.758 20 0 CHADMN c1cc(CNCc2ccc(C3CC3)cc2)nc2c1CCC2 ZINC000565818793 334599603 /nfs/dbraw/zinc/59/96/03/334599603.db2.gz IISZYNNYHISUPQ-UHFFFAOYSA-N 0 1 278.399 3.738 20 0 CHADMN CC[C@H](N[C@H](C)c1ccccc1F)c1c(C)nn(C)c1C ZINC000153490711 334609058 /nfs/dbraw/zinc/60/90/58/334609058.db2.gz XLQBEQVQEYPAND-BZNIZROVSA-N 0 1 289.398 3.978 20 0 CHADMN CCc1ccc(CN[C@@H]2c3ccc(F)cc3O[C@@H]2C)cc1 ZINC000566996361 334672439 /nfs/dbraw/zinc/67/24/39/334672439.db2.gz XFFFCCNSQWETKW-XIKOKIGWSA-N 0 1 285.362 4.000 20 0 CHADMN CCc1ccc(CN[C@H]2c3ccc(F)cc3O[C@@H]2C)cc1 ZINC000566996359 334672469 /nfs/dbraw/zinc/67/24/69/334672469.db2.gz XFFFCCNSQWETKW-KZULUSFZSA-N 0 1 285.362 4.000 20 0 CHADMN CCn1nc(C)c(CN[C@@H](C)c2cccc(F)c2)c1C ZINC000307973038 334683589 /nfs/dbraw/zinc/68/35/89/334683589.db2.gz YDUYSQXONLYIOR-NSHDSACASA-N 0 1 275.371 3.510 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@@H]1CCCc2c1cnn2C ZINC000268834078 334717163 /nfs/dbraw/zinc/71/71/63/334717163.db2.gz RNNWQLBMABLKPC-CZUORRHYSA-N 0 1 299.418 3.547 20 0 CHADMN C[C@H](N[C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccoc1 ZINC000567654289 334746669 /nfs/dbraw/zinc/74/66/69/334746669.db2.gz TXSFNUJLCCREQJ-XHDPSFHLSA-N 0 1 286.375 3.815 20 0 CHADMN C[C@H](Cc1ccc(O)cc1)Nc1cc2c(cn1)CCCC2 ZINC000572588710 334777188 /nfs/dbraw/zinc/77/71/88/334777188.db2.gz HFQVAGYZYNKNPA-CYBMUJFWSA-N 0 1 282.387 3.709 20 0 CHADMN CC[C@@H](C)CCC(=O)Nc1cccc(Cl)c1O ZINC000568049033 334787468 /nfs/dbraw/zinc/78/74/68/334787468.db2.gz KEYNJBPHPYDRFY-SECBINFHSA-N 0 1 255.745 3.810 20 0 CHADMN Cc1ccccc1NC(=O)CN1CCC2(CCCC2)CC1 ZINC000158380497 334798213 /nfs/dbraw/zinc/79/82/13/334798213.db2.gz RSNGSFDFWHQQIE-UHFFFAOYSA-N 0 1 286.419 3.590 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000576405823 335199950 /nfs/dbraw/zinc/19/99/50/335199950.db2.gz USSDWUMLVSJCIB-NILFDRSVSA-N 0 1 291.391 3.687 20 0 CHADMN Cc1nocc1CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000576574458 335220365 /nfs/dbraw/zinc/22/03/65/335220365.db2.gz MWDMSMLGMOOHJU-UHFFFAOYSA-N 0 1 299.399 3.898 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1c(F)cccc1Cl ZINC000576642566 335229849 /nfs/dbraw/zinc/22/98/49/335229849.db2.gz FWWDUNDFPONGHS-ZDUSSCGKSA-N 0 1 287.762 3.554 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@@H+](CC(=O)[O-])Cc2ccccc2)C1 ZINC000576710773 335238466 /nfs/dbraw/zinc/23/84/66/335238466.db2.gz TZWXEGZOWJZSAN-HZPDHXFCSA-N 0 1 289.419 3.790 20 0 CHADMN CCC[N@@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)C(C)C ZINC000576765482 335245530 /nfs/dbraw/zinc/24/55/30/335245530.db2.gz IXRDZXULSWQKKN-UHFFFAOYSA-N 0 1 299.374 3.702 20 0 CHADMN CCC[N@H+](Cc1nc2c3ccccc3oc2c(=O)[n-]1)C(C)C ZINC000576765482 335245531 /nfs/dbraw/zinc/24/55/31/335245531.db2.gz IXRDZXULSWQKKN-UHFFFAOYSA-N 0 1 299.374 3.702 20 0 CHADMN CCC[N@@H+](Cc1nc2c3ccccc3oc2c(=O)[n-]1)C(C)C ZINC000576765482 335245532 /nfs/dbraw/zinc/24/55/32/335245532.db2.gz IXRDZXULSWQKKN-UHFFFAOYSA-N 0 1 299.374 3.702 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC2(CC(=O)[O-])CC2)o1 ZINC000576950787 335268444 /nfs/dbraw/zinc/26/84/44/335268444.db2.gz NSTGXOCIYVNNTM-JSGCOSHPSA-N 0 1 291.391 3.616 20 0 CHADMN CCc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000192625851 335283176 /nfs/dbraw/zinc/28/31/76/335283176.db2.gz HKBFOXBAPIYPTB-YOEHRIQHSA-N 0 1 288.435 3.698 20 0 CHADMN Cc1cc(C[N@H+](C)Cc2cc(C)ccc2C)oc1C(=O)[O-] ZINC000577184166 335318437 /nfs/dbraw/zinc/31/84/37/335318437.db2.gz KYAJNFXEEUWQEA-UHFFFAOYSA-N 0 1 287.359 3.535 20 0 CHADMN Fc1cccc(CNCc2ccc3ncccc3c2)c1F ZINC000192981366 335327794 /nfs/dbraw/zinc/32/77/94/335327794.db2.gz SUADRVSKSBEAPV-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000577589553 335374356 /nfs/dbraw/zinc/37/43/56/335374356.db2.gz PLWIZNRVXKVTSC-LSDHHAIUSA-N 0 1 269.429 3.780 20 0 CHADMN CC(C)[N@@H+](Cc1cc(C(=O)[O-])ccc1Cl)C1CCC1 ZINC000577642864 335384986 /nfs/dbraw/zinc/38/49/86/335384986.db2.gz YEGHIVODWFUMHS-UHFFFAOYSA-N 0 1 281.783 3.801 20 0 CHADMN OC[C@H](N[C@H]1CCCc2ccc(F)cc21)c1ccsc1 ZINC000349401513 335463193 /nfs/dbraw/zinc/46/31/93/335463193.db2.gz DQBBFOYDWCOSHT-HOTGVXAUSA-N 0 1 291.391 3.588 20 0 CHADMN Cc1cccc([C@@H](C)N[C@@H](CO)c2ccsc2)c1C ZINC000349428327 335467285 /nfs/dbraw/zinc/46/72/85/335467285.db2.gz YTTBPSXCYNCWRF-CJNGLKHVSA-N 0 1 275.417 3.749 20 0 CHADMN CCc1noc(C)c1CNCc1cc(C)sc1C ZINC000578169608 335540449 /nfs/dbraw/zinc/54/04/49/335540449.db2.gz XDDSJJMMRLLICA-UHFFFAOYSA-N 0 1 264.394 3.514 20 0 CHADMN COc1cc(Cn2c(C)nc3c2CCCC3)ccc1Cl ZINC000579129193 335713923 /nfs/dbraw/zinc/71/39/23/335713923.db2.gz GEWOCORCCOVPLQ-UHFFFAOYSA-N 0 1 290.794 3.781 20 0 CHADMN CC(C)c1cnc(CN[C@@H]2CCc3cc(N)ccc32)s1 ZINC000579258942 335729565 /nfs/dbraw/zinc/72/95/65/335729565.db2.gz DVYRKAQAIODGPW-CQSZACIVSA-N 0 1 287.432 3.626 20 0 CHADMN C[C@@H](Cc1coc2ccccc12)N[C@@H](C)c1csnn1 ZINC000579447859 335758353 /nfs/dbraw/zinc/75/83/53/335758353.db2.gz FKIFTXGIMSJFFP-QWRGUYRKSA-N 0 1 287.388 3.566 20 0 CHADMN CC(C)c1nc(CNc2ccccc2CO)c2ccccn21 ZINC000579482288 335770562 /nfs/dbraw/zinc/77/05/62/335770562.db2.gz MXZPGRKYKMVKIX-UHFFFAOYSA-N 0 1 295.386 3.562 20 0 CHADMN Cc1cccc(CN[C@@H]2CCCc3cc(F)ccc32)n1 ZINC000182524071 335825396 /nfs/dbraw/zinc/82/53/96/335825396.db2.gz WQMYIOUEPOFBGI-QGZVFWFLSA-N 0 1 270.351 3.696 20 0 CHADMN C[C@H](CC(=O)OC(C)(C)C)N[C@@H](C)c1cccc(F)c1F ZINC000183294704 335886676 /nfs/dbraw/zinc/88/66/76/335886676.db2.gz NBEXBWUKBGXJEN-MNOVXSKESA-N 0 1 299.361 3.736 20 0 CHADMN CC[C@@H](NCCOc1cc(C)ccc1C)c1nccs1 ZINC000185063594 335945138 /nfs/dbraw/zinc/94/51/38/335945138.db2.gz PWYHQRNYJGLWOB-CQSZACIVSA-N 0 1 290.432 3.880 20 0 CHADMN O=C([O-])c1ccccc1CC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000581136974 336014199 /nfs/dbraw/zinc/01/41/99/336014199.db2.gz JFFWFUMOYKYLOT-IBGZPJMESA-N 0 1 299.414 3.750 20 0 CHADMN COc1ccc(CN2CC[C@H](C)[C@@H]2C)cc1Br ZINC000380707639 336018604 /nfs/dbraw/zinc/01/86/04/336018604.db2.gz RTTPSNUVIDIZIP-QWRGUYRKSA-N 0 1 298.224 3.688 20 0 CHADMN CC(C)c1nc(CN2CCC(CF)CC2)c2ccccn21 ZINC000581256067 336033146 /nfs/dbraw/zinc/03/31/46/336033146.db2.gz UAOPTOQOPJCUOU-UHFFFAOYSA-N 0 1 289.398 3.639 20 0 CHADMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC000381478795 336066455 /nfs/dbraw/zinc/06/64/55/336066455.db2.gz DZWFOSAZPHCBIC-CMPLNLGQSA-N 0 1 281.783 3.801 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C[C@H]1C ZINC000381515851 336067081 /nfs/dbraw/zinc/06/70/81/336067081.db2.gz LRERSGIEQLFZOY-WDEREUQCSA-N 0 1 281.783 3.516 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)CC1 ZINC000381546289 336067996 /nfs/dbraw/zinc/06/79/96/336067996.db2.gz SWSQJBORKIWHMW-LLVKDONJSA-N 0 1 281.783 3.660 20 0 CHADMN CC(C)(NC[C@@H]1CCCCC1(F)F)c1nccs1 ZINC000382169268 336083370 /nfs/dbraw/zinc/08/33/70/336083370.db2.gz PSBQGKLLIHDICA-JTQLQIEISA-N 0 1 274.380 3.793 20 0 CHADMN CCC[N@@H+](Cc1cc(C(=O)[O-])c(C)o1)Cc1ccccc1 ZINC000383582437 336114521 /nfs/dbraw/zinc/11/45/21/336114521.db2.gz PDFHGDURROYYBM-UHFFFAOYSA-N 0 1 287.359 3.698 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](CCC)Cc1ccccc1 ZINC000383813262 336118284 /nfs/dbraw/zinc/11/82/84/336118284.db2.gz PZWVJDYZMXIYEF-OAHLLOKOSA-N 0 1 263.381 3.542 20 0 CHADMN CCc1ccc([C@H](CC)NCc2snnc2C)cc1 ZINC000384230648 336122740 /nfs/dbraw/zinc/12/27/40/336122740.db2.gz HDCNPAOJQVUBQA-AWEZNQCLSA-N 0 1 275.421 3.650 20 0 CHADMN Cc1cccc(CN[C@H](C)c2ccc3c(c2)OCO3)c1F ZINC000384625267 336128177 /nfs/dbraw/zinc/12/81/77/336128177.db2.gz JDWRQTHJGKZGFY-GFCCVEGCSA-N 0 1 287.334 3.714 20 0 CHADMN CC/C=C\CNCc1nc2ccccc2n1CCC ZINC000384791634 336131278 /nfs/dbraw/zinc/13/12/78/336131278.db2.gz VRASHERXWVBWNN-YVMONPNESA-N 0 1 257.381 3.502 20 0 CHADMN CCC[C@@]1(NCc2c(F)cccc2Cl)CCOC1 ZINC000386028533 336164866 /nfs/dbraw/zinc/16/48/66/336164866.db2.gz YZEYRXJRISTKIB-CQSZACIVSA-N 0 1 271.763 3.528 20 0 CHADMN NC1(c2noc(-c3cccc4ccsc43)n2)CCCC1 ZINC000386608830 336176564 /nfs/dbraw/zinc/17/65/64/336176564.db2.gz HPLXLLSMUNODRH-UHFFFAOYSA-N 0 1 285.372 3.679 20 0 CHADMN C[N@@H+](CCNCc1sccc1Cl)Cc1ccccc1 ZINC000386664158 336177108 /nfs/dbraw/zinc/17/71/08/336177108.db2.gz FAUIMEYXPJBLFW-UHFFFAOYSA-N 0 1 294.851 3.623 20 0 CHADMN c1sc(-c2ccccn2)nc1CN[C@H]1CC12CCCC2 ZINC000386894083 336181874 /nfs/dbraw/zinc/18/18/74/336181874.db2.gz AQAREXZETILYQI-AWEZNQCLSA-N 0 1 285.416 3.627 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3c2c(F)ccc3F)cc(C)n1 ZINC000334982657 533723470 /nfs/dbraw/zinc/72/34/70/533723470.db2.gz RLACSASIDPGBSO-MRXNPFEDSA-N 0 1 288.341 3.754 20 0 CHADMN Cc1ccc(CN(C)CCSc2ccc(F)cc2)o1 ZINC000356125538 533874132 /nfs/dbraw/zinc/87/41/32/533874132.db2.gz PKUCMOSOTBFTJV-UHFFFAOYSA-N 0 1 279.380 3.951 20 0 CHADMN C[C@H](CCN1CCC[C@H]1c1ncc[nH]1)OCc1ccccc1 ZINC000355302813 533904898 /nfs/dbraw/zinc/90/48/98/533904898.db2.gz CMTJYTQCHZQLFK-WBVHZDCISA-N 0 1 299.418 3.542 20 0 CHADMN Cc1ccc(-c2cc(-c3nc(CC(C)C)no3)[nH]n2)cc1 ZINC000356020401 534165661 /nfs/dbraw/zinc/16/56/61/534165661.db2.gz BEKFVPKOSDZHPF-UHFFFAOYSA-N 0 1 282.347 3.634 20 0 CHADMN C[C@@H]1CC[C@@H]1NCc1csc(COc2ccccc2)n1 ZINC000353142099 534201405 /nfs/dbraw/zinc/20/14/05/534201405.db2.gz REYRJVSNOQBCET-DOMZBBRYSA-N 0 1 288.416 3.610 20 0 CHADMN C[C@@H]1SCCN(Cc2ccco2)[C@H]1c1ccccc1 ZINC000353802749 534221069 /nfs/dbraw/zinc/22/10/69/534221069.db2.gz IPQNDADWJCKWRH-XJKSGUPXSA-N 0 1 273.401 3.958 20 0 CHADMN C[C@@H]1CC[C@H]1NCc1csc(COc2ccccc2)n1 ZINC000353142100 534263781 /nfs/dbraw/zinc/26/37/81/534263781.db2.gz REYRJVSNOQBCET-IUODEOHRSA-N 0 1 288.416 3.610 20 0 CHADMN C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCCC2(CC2)C1 ZINC000352265707 534298148 /nfs/dbraw/zinc/29/81/48/534298148.db2.gz KBWDLPGLKPWIRB-GFCCVEGCSA-N 0 1 292.810 3.543 20 0 CHADMN COC(=O)c1coc(CN[C@H](C)c2c(C)cccc2C)c1 ZINC000355052742 534316374 /nfs/dbraw/zinc/31/63/74/534316374.db2.gz HYNSTDWSEPNIQG-CYBMUJFWSA-N 0 1 287.359 3.534 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@H](CCO)c1ccco1 ZINC000248908240 518190804 /nfs/dbraw/zinc/19/08/04/518190804.db2.gz BODLCJQSQCNGAC-BMFZPTHFSA-N 0 1 285.387 3.850 20 0 CHADMN C/C(=C/c1nc([C@@H](N)CC(C)C)no1)c1ccc(F)cc1 ZINC000339395016 518415673 /nfs/dbraw/zinc/41/56/73/518415673.db2.gz RZGHOKQIUFWMDH-FPAJZGIOSA-N 0 1 289.354 3.815 20 0 CHADMN C/C=C(\CC)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000291380736 518504875 /nfs/dbraw/zinc/50/48/75/518504875.db2.gz VPJGOJROJZXBRL-VZUCSPMQSA-N 0 1 273.336 3.581 20 0 CHADMN CC(C)(C)Oc1ccc(NC(=O)[C@H](N)c2ccccc2)cc1 ZINC000236582473 518895338 /nfs/dbraw/zinc/89/53/38/518895338.db2.gz KEFMLGXGXXWLJA-MRXNPFEDSA-N 0 1 298.386 3.502 20 0 CHADMN CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc([O-])c2Cl)CCO1 ZINC000293215592 518947736 /nfs/dbraw/zinc/94/77/36/518947736.db2.gz JNSOUABEKNMCBM-JSGCOSHPSA-N 0 1 297.826 3.729 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2csc3c2CCCC3)n1 ZINC000339391700 519231077 /nfs/dbraw/zinc/23/10/77/519231077.db2.gz CDYAIHKVKWTTBU-GFCCVEGCSA-N 0 1 291.420 3.723 20 0 CHADMN CC(C)C[C@@H]1CCCCN1Cc1ncnn1-c1ccccc1 ZINC000337197679 519261902 /nfs/dbraw/zinc/26/19/02/519261902.db2.gz YUSSASTZGWNTDK-KRWDZBQOSA-N 0 1 298.434 3.668 20 0 CHADMN C=Cn1cc(CN[C@@H](C)c2ccc(SC)cc2)cn1 ZINC000235088120 519327711 /nfs/dbraw/zinc/32/77/11/519327711.db2.gz ASEAABJROLRISB-LBPRGKRZSA-N 0 1 273.405 3.556 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cccc(F)c2Cl)n1 ZINC000339395971 519371276 /nfs/dbraw/zinc/37/12/76/519371276.db2.gz VEORNQJKJXHIOT-JTQLQIEISA-N 0 1 283.734 3.575 20 0 CHADMN CC(C)(O)c1ccc(CNCc2sccc2Cl)cc1 ZINC000278856763 519372508 /nfs/dbraw/zinc/37/25/08/519372508.db2.gz XLPSUDVAAURKLG-UHFFFAOYSA-N 0 1 295.835 3.919 20 0 CHADMN CC(C)C[C@H](N)c1noc(C(C)(C)Cc2ccccc2)n1 ZINC000339389175 519374480 /nfs/dbraw/zinc/37/44/80/519374480.db2.gz AGOHERXNBHVLCE-AWEZNQCLSA-N 0 1 287.407 3.636 20 0 CHADMN CC(=O)CCN1CCC[C@@H]1c1ccccc1Br ZINC000156775731 519417113 /nfs/dbraw/zinc/41/71/13/519417113.db2.gz JPRFAGJRNKQIRV-CQSZACIVSA-N 0 1 296.208 3.565 20 0 CHADMN CC(C)N(C)c1ccc(CNC2(c3ccccc3)CC2)cn1 ZINC000276971216 519632248 /nfs/dbraw/zinc/63/22/48/519632248.db2.gz PJPKPOUDGAGZTD-UHFFFAOYSA-N 0 1 295.430 3.705 20 0 CHADMN CC(C)CC[C@@H](NCc1cccnc1)c1ccoc1 ZINC000278935961 519683553 /nfs/dbraw/zinc/68/35/53/519683553.db2.gz LSDNLJWPOAKNMU-MRXNPFEDSA-N 0 1 258.365 3.942 20 0 CHADMN CC(C)CN(C(=O)CN(C)[C@H](C)c1ccccc1)C(C)C ZINC000338389575 519704537 /nfs/dbraw/zinc/70/45/37/519704537.db2.gz IOEWNFBQBCFSIX-MRXNPFEDSA-N 0 1 290.451 3.572 20 0 CHADMN CC(=O)Nc1cccc(CN(C)[C@H](C)c2cccs2)c1 ZINC000101544930 519738660 /nfs/dbraw/zinc/73/86/60/519738660.db2.gz FNSZVRRFAFSPKL-GFCCVEGCSA-N 0 1 288.416 3.900 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)NCc2ccc(F)cn2)c1 ZINC000276196221 519783392 /nfs/dbraw/zinc/78/33/92/519783392.db2.gz JAODWYNPYGSOQE-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN CC(C)Oc1cccc([C@H](C)NCc2cncs2)c1 ZINC000054770791 519783618 /nfs/dbraw/zinc/78/36/18/519783618.db2.gz DYTZBRXIPPHJSX-LBPRGKRZSA-N 0 1 276.405 3.781 20 0 CHADMN CC(C)[C@@H]1C[C@@H](N[C@@H](C)c2c(F)cncc2F)CS1 ZINC000289542582 519805182 /nfs/dbraw/zinc/80/51/82/519805182.db2.gz IDAAVNZOKRXSDR-CWSCBRNRSA-N 0 1 286.391 3.541 20 0 CHADMN CC(C)c1ccccc1NC(=O)c1ccc2cncn2c1 ZINC000339876790 519846646 /nfs/dbraw/zinc/84/66/46/519846646.db2.gz BCYIQCHDRZEFPN-UHFFFAOYSA-N 0 1 279.343 3.710 20 0 CHADMN CCC1CCC(N(C)C(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC000338678523 519852781 /nfs/dbraw/zinc/85/27/81/519852781.db2.gz SJZBIRTZHJAIFD-UHFFFAOYSA-N 0 1 299.418 3.912 20 0 CHADMN CC(C)c1nc(CN[C@@H](C)c2cc3ccccc3o2)n[nH]1 ZINC000292969658 519863898 /nfs/dbraw/zinc/86/38/98/519863898.db2.gz WOMWJZJQTJNVCF-NSHDSACASA-N 0 1 284.363 3.525 20 0 CHADMN CC(C)n1nccc1CN[C@H]1CCCc2sccc21 ZINC000280010189 520112661 /nfs/dbraw/zinc/11/26/61/520112661.db2.gz UKFXTZWBVUEKSO-AWEZNQCLSA-N 0 1 275.421 3.693 20 0 CHADMN CCCCCCc1csc([C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC000364837874 520136028 /nfs/dbraw/zinc/13/60/28/520136028.db2.gz ICYBTXRVAVYDHW-CABCVRRESA-N 0 1 294.464 3.802 20 0 CHADMN CCOC[C@H]1CCCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000072976418 520172142 /nfs/dbraw/zinc/17/21/42/520172142.db2.gz HSXXBXKVEDJOTQ-STQMWFEESA-N 0 1 283.362 3.774 20 0 CHADMN CCC=C(C)C(=O)Nc1cc(-c2ncc[nH]2)ccc1C ZINC000280337750 520194471 /nfs/dbraw/zinc/19/44/71/520194471.db2.gz WBOBMDBGXZNJLU-LFYBBSHMSA-N 0 1 269.348 3.680 20 0 CHADMN CCCOCc1ccccc1CNCc1ccc(C)o1 ZINC000120838306 520259232 /nfs/dbraw/zinc/25/92/32/520259232.db2.gz NRXQPEWAIQKCJN-UHFFFAOYSA-N 0 1 273.376 3.804 20 0 CHADMN Cc1ccc2[nH]c(CNCc3cccc4cc[nH]c43)nc2c1 ZINC000344732975 534505118 /nfs/dbraw/zinc/50/51/18/534505118.db2.gz UPDFUHLRMFVQCI-UHFFFAOYSA-N 0 1 290.370 3.642 20 0 CHADMN Cc1ccc2nc(CNCc3cccc4cc[nH]c43)[nH]c2c1 ZINC000344732975 534505124 /nfs/dbraw/zinc/50/51/24/534505124.db2.gz UPDFUHLRMFVQCI-UHFFFAOYSA-N 0 1 290.370 3.642 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)CC3(C)CC3)[nH]c2c1 ZINC000336125588 534508346 /nfs/dbraw/zinc/50/83/46/534508346.db2.gz CHLNZWLIXNQHSL-HNNXBMFYSA-N 0 1 297.402 3.725 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000338552169 520671753 /nfs/dbraw/zinc/67/17/53/520671753.db2.gz OOKOGIXRNJRZRN-WBMJQRKESA-N 0 1 299.418 3.912 20 0 CHADMN CC1=CC[C@@H](N[C@H](c2nccn2C)c2ccc(F)cc2)CC1 ZINC000293495655 520873874 /nfs/dbraw/zinc/87/38/74/520873874.db2.gz BCBLFKZTCVXGSN-SJORKVTESA-N 0 1 299.393 3.737 20 0 CHADMN CC1=CC[C@H](N[C@H](c2nccn2C)c2ccc(F)cc2)CC1 ZINC000293495652 520877465 /nfs/dbraw/zinc/87/74/65/520877465.db2.gz BCBLFKZTCVXGSN-IRXDYDNUSA-N 0 1 299.393 3.737 20 0 CHADMN CCC[C@H](C(=O)Nc1c(C)n[nH]c1C(F)F)C(C)C ZINC000272420561 520988500 /nfs/dbraw/zinc/98/85/00/520988500.db2.gz HKZKDQRDABLBCK-VIFPVBQESA-N 0 1 273.327 3.667 20 0 CHADMN CCCC[C@@H](C)[C@@H](C)NCc1nccc(C(F)F)n1 ZINC000290343483 521011689 /nfs/dbraw/zinc/01/16/89/521011689.db2.gz POHMMWDXNHBXBR-GHMZBOCLSA-N 0 1 271.355 3.719 20 0 CHADMN CCN(CCc1cccs1)Cc1ncc(C2CC2)o1 ZINC000340678200 521170400 /nfs/dbraw/zinc/17/04/00/521170400.db2.gz HUFFZGFRRMURFN-UHFFFAOYSA-N 0 1 276.405 3.678 20 0 CHADMN CCN(Cc1ncnn1-c1ccccc1)[C@@H]1CCCC[C@H]1C ZINC000337207671 521462752 /nfs/dbraw/zinc/46/27/52/521462752.db2.gz PAHTVWCWZLKKFS-NVXWUHKLSA-N 0 1 298.434 3.668 20 0 CHADMN CCC(CC)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000299404198 521491026 /nfs/dbraw/zinc/49/10/26/521491026.db2.gz IBQOFXOHWNURTF-MRXNPFEDSA-N 0 1 299.418 3.971 20 0 CHADMN CCCc1nc(C)c(CNCc2cccc3cc[nH]c32)o1 ZINC000291739031 521495930 /nfs/dbraw/zinc/49/59/30/521495930.db2.gz ORVITEXMZDMVIV-UHFFFAOYSA-N 0 1 283.375 3.707 20 0 CHADMN CCCc1nc(C)c(CNCc2cccc3[nH]ccc32)o1 ZINC000291698470 521495962 /nfs/dbraw/zinc/49/59/62/521495962.db2.gz JXMRUPKKAYAFMM-UHFFFAOYSA-N 0 1 283.375 3.707 20 0 CHADMN CCCc1nc(C)c(CNCc2cccc3cccnc32)o1 ZINC000291756708 521497111 /nfs/dbraw/zinc/49/71/11/521497111.db2.gz QWTMLLKUDIQEOD-UHFFFAOYSA-N 0 1 295.386 3.774 20 0 CHADMN CCCc1nc(C)c(CNCc2cc(C)c(O)c(C)c2)o1 ZINC000292847165 521498318 /nfs/dbraw/zinc/49/83/18/521498318.db2.gz SXJYGFAYGBJIIF-UHFFFAOYSA-N 0 1 288.391 3.548 20 0 CHADMN CCOc1ccccc1CNCc1ccc(F)c(F)c1 ZINC000049577233 521503570 /nfs/dbraw/zinc/50/35/70/521503570.db2.gz JTPFYJXPMJISOV-UHFFFAOYSA-N 0 1 277.314 3.653 20 0 CHADMN CCOc1ncccc1CN[C@@H]1c2ccccc2C[C@@H]1C ZINC000151189764 521621224 /nfs/dbraw/zinc/62/12/24/521621224.db2.gz YXKCPCQSRBASTH-GUYCJALGSA-N 0 1 282.387 3.503 20 0 CHADMN CCOc1ncccc1CN[C@H]1CCCc2sccc21 ZINC000151207140 521621751 /nfs/dbraw/zinc/62/17/51/521621751.db2.gz JHTXZWDLNFUIJC-AWEZNQCLSA-N 0 1 288.416 3.709 20 0 CHADMN CCCn1nc(C)c(CN2CCC[C@@H]2c2ccncc2)c1C ZINC000289897067 521667824 /nfs/dbraw/zinc/66/78/24/521667824.db2.gz UAWRAEUXRCFZHD-GOSISDBHSA-N 0 1 298.434 3.642 20 0 CHADMN CCCN(Cc1ccon1)[C@H]1CCc2ccccc21 ZINC000265806204 521692347 /nfs/dbraw/zinc/69/23/47/521692347.db2.gz DIOOBYMEVAWEDQ-INIZCTEOSA-N 0 1 256.349 3.574 20 0 CHADMN Cc1occc1CN[C@H]1CCCOc2ccccc21 ZINC000334859786 534583466 /nfs/dbraw/zinc/58/34/66/534583466.db2.gz YJLDMXNWBRMAIZ-HNNXBMFYSA-N 0 1 257.333 3.592 20 0 CHADMN CCS[C@H](c1nc([C@@H](N)CC(C)C)no1)C(C)C ZINC000339390022 521730083 /nfs/dbraw/zinc/73/00/83/521730083.db2.gz GICQSAANCBZVOB-QWRGUYRKSA-N 0 1 271.430 3.566 20 0 CHADMN COCC[C@@H](NCc1cc(F)ccc1C)c1ccco1 ZINC000272497966 521859552 /nfs/dbraw/zinc/85/95/52/521859552.db2.gz GFLYMVFQPFAPMD-OAHLLOKOSA-N 0 1 277.339 3.595 20 0 CHADMN CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263573516 521890935 /nfs/dbraw/zinc/89/09/35/521890935.db2.gz MLSYHLNNMSQTBB-BBRMVZONSA-N 0 1 275.392 3.785 20 0 CHADMN CN(C)Cc1ccc(NCc2cccc(O)c2)cc1Cl ZINC000280161538 521910260 /nfs/dbraw/zinc/91/02/60/521910260.db2.gz FIIIDKDDEOIOAA-UHFFFAOYSA-N 0 1 290.794 3.719 20 0 CHADMN CC[C@H](C)c1nnc([C@@H](C)NC2CC(c3ccccc3)C2)[nH]1 ZINC000277211232 522052114 /nfs/dbraw/zinc/05/21/14/522052114.db2.gz KHRAKRWMTDMPCP-LOCSVTFISA-N 0 1 298.434 3.915 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2cc(C)ccc2C)n[nH]1 ZINC000277159065 522053879 /nfs/dbraw/zinc/05/38/79/522053879.db2.gz GNTWELWDRXRFQV-JSGCOSHPSA-N 0 1 286.423 3.786 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cc(OC)ccc1F ZINC000339336292 522086123 /nfs/dbraw/zinc/08/61/23/522086123.db2.gz IUAKWSFFLOPXOQ-GFCCVEGCSA-N 0 1 288.366 3.643 20 0 CHADMN CCc1nc(C)c(CNCc2cc(C)c(C)cc2C)o1 ZINC000291670489 522204303 /nfs/dbraw/zinc/20/43/03/522204303.db2.gz GHHYCBVJWKZPMO-UHFFFAOYSA-N 0 1 272.392 3.760 20 0 CHADMN CCc1nc(C)c(CN[C@H](C)c2ccc(OC)c(C)c2)o1 ZINC000291926978 522208980 /nfs/dbraw/zinc/20/89/80/522208980.db2.gz OKHAIMWTZBJKBF-GFCCVEGCSA-N 0 1 288.391 3.713 20 0 CHADMN CC[C@@H](C)Oc1cccc(NCc2cn[nH]c2C)c1 ZINC000049593039 522271606 /nfs/dbraw/zinc/27/16/06/522271606.db2.gz CQCWFEZDUMYQJL-LLVKDONJSA-N 0 1 259.353 3.508 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N(C)Cc1ncc(C)cn1 ZINC000340839996 522300917 /nfs/dbraw/zinc/30/09/17/522300917.db2.gz BJQJYRUUANPGJW-QGZVFWFLSA-N 0 1 283.419 3.547 20 0 CHADMN COC(=O)c1coc([C@H](C)N[C@@H]2CCc3cc(C)ccc32)c1 ZINC000278375179 522379636 /nfs/dbraw/zinc/37/96/36/522379636.db2.gz CNPRAAQDMRKBTC-BLLLJJGKSA-N 0 1 299.370 3.713 20 0 CHADMN COC(=O)c1occc1CN1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000353220034 522412192 /nfs/dbraw/zinc/41/21/92/522412192.db2.gz OTQKIWREPQISBC-XJKSGUPXSA-N 0 1 299.370 3.649 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2ccc(C)cc2C)n[nH]1 ZINC000277413734 522440490 /nfs/dbraw/zinc/44/04/90/522440490.db2.gz LVJRRKIQADACHK-OCCSQVGLSA-N 0 1 286.423 3.786 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2ccc(Cl)s2)n[nH]1 ZINC000277503894 522441218 /nfs/dbraw/zinc/44/12/18/522441218.db2.gz VRLKESMPDCNZCJ-BDAKNGLRSA-N 0 1 298.843 3.884 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2cccc3[nH]ccc32)n[nH]1 ZINC000277407499 522441776 /nfs/dbraw/zinc/44/17/76/522441776.db2.gz LGFIZBHRCDXYEB-NEPJUHHUSA-N 0 1 297.406 3.650 20 0 CHADMN CCc1ncc(CNCc2ccc(OC(F)F)cc2)s1 ZINC000037923920 522552959 /nfs/dbraw/zinc/55/29/59/522552959.db2.gz CKTDGTMIVXVEIN-UHFFFAOYSA-N 0 1 298.358 3.597 20 0 CHADMN COC1(CCN(C)Cc2nc3ccccc3s2)CCC1 ZINC000293374497 522589148 /nfs/dbraw/zinc/58/91/48/522589148.db2.gz FWXSSKKKJMZUNU-UHFFFAOYSA-N 0 1 290.432 3.687 20 0 CHADMN CC[C@H](NCc1ccc(C)nc1)c1ccccc1F ZINC000163470310 522647193 /nfs/dbraw/zinc/64/71/93/522647193.db2.gz KPAHSCGHNJTHOU-INIZCTEOSA-N 0 1 258.340 3.770 20 0 CHADMN CC[C@H](NCc1ccc(OC)cn1)c1cccc(Cl)c1 ZINC000271991624 522649208 /nfs/dbraw/zinc/64/92/08/522649208.db2.gz GJGRRNXIGSKLDY-INIZCTEOSA-N 0 1 290.794 3.985 20 0 CHADMN CCc1nnc(CNC[C@H](C)c2cccc(Cl)c2)s1 ZINC000289926683 522739320 /nfs/dbraw/zinc/73/93/20/522739320.db2.gz VTUOHUOFEJLZAA-JTQLQIEISA-N 0 1 295.839 3.647 20 0 CHADMN COC[C@H](NCc1cnc2ccccc2c1)c1ccccc1 ZINC000337188463 522752981 /nfs/dbraw/zinc/75/29/81/522752981.db2.gz QTWFOKJADCSPQP-IBGZPJMESA-N 0 1 292.382 3.712 20 0 CHADMN CC[C@@H](NCc1ccc(C)o1)c1ccc(OC)c(OC)c1 ZINC000053036103 522874151 /nfs/dbraw/zinc/87/41/51/522874151.db2.gz ZWFCLWZMKNTFGY-OAHLLOKOSA-N 0 1 289.375 3.846 20 0 CHADMN CC[C@@H](NCc1cncc(C)c1)c1ccc(F)cc1F ZINC000131115575 522888973 /nfs/dbraw/zinc/88/89/73/522888973.db2.gz AMXCADNBAILRCO-MRXNPFEDSA-N 0 1 276.330 3.909 20 0 CHADMN COc1cc([C@H](C)NCc2ccc(C(C)C)nc2C)ccn1 ZINC000339197610 522945252 /nfs/dbraw/zinc/94/52/52/522945252.db2.gz BUYKVOOPCPITPJ-ZDUSSCGKSA-N 0 1 299.418 3.768 20 0 CHADMN CCc1nocc1CNCc1ccc(-c2ccncc2)cc1 ZINC000339272047 522948206 /nfs/dbraw/zinc/94/82/06/522948206.db2.gz MSJXXNVUVQGLPD-UHFFFAOYSA-N 0 1 293.370 3.589 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2cc(C)c(C)o2)cc1 ZINC000337394777 522989813 /nfs/dbraw/zinc/98/98/13/522989813.db2.gz MTBKLJICXRRYPM-ZDUSSCGKSA-N 0 1 273.376 3.894 20 0 CHADMN COCc1ccc(CN[C@H](C)c2cc(C)cc(C)c2)o1 ZINC000127587624 522995341 /nfs/dbraw/zinc/99/53/41/522995341.db2.gz WMBWRPSZTBCNLR-CQSZACIVSA-N 0 1 273.376 3.894 20 0 CHADMN CCc1oc2ccccc2c1CNCc1c(C)noc1C ZINC000063550090 523008975 /nfs/dbraw/zinc/00/89/75/523008975.db2.gz SZZJCIBXIPWMMK-UHFFFAOYSA-N 0 1 284.359 3.890 20 0 CHADMN COCc1ccc([C@H]2CCCN2Cc2cccc(F)c2)o1 ZINC000130844788 523020743 /nfs/dbraw/zinc/02/07/43/523020743.db2.gz QJMKSNSLEABVOU-MRXNPFEDSA-N 0 1 289.350 3.902 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CCC(=O)[O-])CC(C)C ZINC000262894237 523100260 /nfs/dbraw/zinc/10/02/60/523100260.db2.gz XDFCIBNOOPQXJC-HNNXBMFYSA-N 0 1 263.381 3.570 20 0 CHADMN CC[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1noc(C)n1 ZINC000069679413 523102099 /nfs/dbraw/zinc/10/20/99/523102099.db2.gz QTIGZQPNSUGHEG-HOTGVXAUSA-N 0 1 285.391 3.536 20 0 CHADMN CC[C@H]1CCCN1Cc1coc(-c2cccs2)n1 ZINC000340678850 523112914 /nfs/dbraw/zinc/11/29/14/523112914.db2.gz FZFSLGUQTMWXQG-LBPRGKRZSA-N 0 1 262.378 3.778 20 0 CHADMN CCn1c(C)cc(C(=O)Nc2cc3cn[nH]c3cc2C)c1C ZINC000276835833 523139658 /nfs/dbraw/zinc/13/96/58/523139658.db2.gz WVZVWJPNRKFMKN-UHFFFAOYSA-N 0 1 296.374 3.562 20 0 CHADMN CCn1cc(CN[C@@H](C)c2ccccc2C(F)(F)F)cn1 ZINC000264825720 523384060 /nfs/dbraw/zinc/38/40/60/523384060.db2.gz HAEZQEPGGLKYTK-NSHDSACASA-N 0 1 297.324 3.773 20 0 CHADMN CN(Cc1ccncc1)Cc1ccccc1C(F)(F)F ZINC000130189544 523463184 /nfs/dbraw/zinc/46/31/84/523463184.db2.gz BMPLYKQTYGKNFH-UHFFFAOYSA-N 0 1 280.293 3.732 20 0 CHADMN CN(Cc1ccon1)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000275735126 523483292 /nfs/dbraw/zinc/48/32/92/523483292.db2.gz QAMDBROURZMXMU-IAGOWNOFSA-N 0 1 270.376 3.617 20 0 CHADMN CO[C@@H]1CCN(Cc2cc(C)ccc2OC(F)F)[C@@H](C)C1 ZINC000292956687 523685670 /nfs/dbraw/zinc/68/56/70/523685670.db2.gz VSSDPSCSDHJKPR-GXTWGEPZSA-N 0 1 299.361 3.596 20 0 CHADMN CCn1nccc1CN1CCCCC[C@H]1c1ccco1 ZINC000126849924 523727500 /nfs/dbraw/zinc/72/75/00/523727500.db2.gz KMGFBYAPKBMCCX-HNNXBMFYSA-N 0 1 273.380 3.613 20 0 CHADMN COCCN(Cc1cncc(C)c1)[C@@H](C)c1ccccc1 ZINC000276005496 523773255 /nfs/dbraw/zinc/77/32/55/523773255.db2.gz PCZUYFJTNGWMLH-INIZCTEOSA-N 0 1 284.403 3.600 20 0 CHADMN Nc1ccc2c(c1)CCC[C@H]2NCc1ccc(F)cc1F ZINC000334856290 534738117 /nfs/dbraw/zinc/73/81/17/534738117.db2.gz OVGSUFFVUMTKSP-QGZVFWFLSA-N 0 1 288.341 3.714 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1ccnc(Cl)c1 ZINC000271642740 523853627 /nfs/dbraw/zinc/85/36/27/523853627.db2.gz HMNHUTGADRSHKK-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1ncc(CN[C@@H]2C[C@@H](C)c3c2cccc3C)o1 ZINC000335276347 534744873 /nfs/dbraw/zinc/74/48/73/534744873.db2.gz HILJZLUCDPFZDH-IAQYHMDHSA-N 0 1 256.349 3.630 20 0 CHADMN CCc1ccc(CN(Cc2cc(C)ncn2)C2CC2)cc1 ZINC000292220210 523922350 /nfs/dbraw/zinc/92/23/50/523922350.db2.gz QOVXGSKMEHTLDJ-UHFFFAOYSA-N 0 1 281.403 3.512 20 0 CHADMN CO[C@H](CN1CCc2cccc(F)c2C1)c1ccccc1 ZINC000338539271 523936081 /nfs/dbraw/zinc/93/60/81/523936081.db2.gz FZSIVJQNGCZRGL-GOSISDBHSA-N 0 1 285.362 3.572 20 0 CHADMN CCc1ccc(CN[C@@H](C)[C@@H]2OCCc3sccc32)o1 ZINC000291654613 523944718 /nfs/dbraw/zinc/94/47/18/523944718.db2.gz DDIVWZQIQGQMRG-ZBEGNZNMSA-N 0 1 291.416 3.696 20 0 CHADMN CCc1ccc(CN[C@H](C)[C@H]2OCCc3sccc32)o1 ZINC000291654601 523945987 /nfs/dbraw/zinc/94/59/87/523945987.db2.gz DDIVWZQIQGQMRG-BDJLRTHQSA-N 0 1 291.416 3.696 20 0 CHADMN Cc1ncc(CN[C@H]2CCCc3c(Cl)cccc32)o1 ZINC000335279283 534746179 /nfs/dbraw/zinc/74/61/79/534746179.db2.gz OZMZNVVXVZIJDC-HNNXBMFYSA-N 0 1 276.767 3.804 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2ccc(F)cc2)cc1O ZINC000080975747 524010190 /nfs/dbraw/zinc/01/01/90/524010190.db2.gz IOPYKUBPEHJWAZ-GFCCVEGCSA-N 0 1 289.350 3.733 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ncccc2N(C)C)s1 ZINC000289698656 524026188 /nfs/dbraw/zinc/02/61/88/524026188.db2.gz IOODGXMUWBWDIJ-GFCCVEGCSA-N 0 1 289.448 3.622 20 0 CHADMN COc1ccc(CNC(C)(C)c2cccc(F)c2)cc1O ZINC000076902122 524068797 /nfs/dbraw/zinc/06/87/97/524068797.db2.gz XOUWXXLFUAYYPQ-UHFFFAOYSA-N 0 1 289.350 3.565 20 0 CHADMN Cc1cccc([C@@H](C)N[C@H](c2nccn2C)C2CC2)c1C ZINC000353862240 534756714 /nfs/dbraw/zinc/75/67/14/534756714.db2.gz FXCFTWDOBOIUQT-PBHICJAKSA-N 0 1 283.419 3.839 20 0 CHADMN C[C@H]1CCCN1Cc1csc(-c2ccsc2)n1 ZINC000076116343 524123195 /nfs/dbraw/zinc/12/31/95/524123195.db2.gz OKDYHJANKVFJER-JTQLQIEISA-N 0 1 264.419 3.856 20 0 CHADMN COc1cccc([C@H](C)NCc2ccc3c(n2)CCCC3)c1 ZINC000278158706 524154770 /nfs/dbraw/zinc/15/47/70/524154770.db2.gz AFOOATRUUHJMAQ-AWEZNQCLSA-N 0 1 296.414 3.820 20 0 CHADMN Cc1cc(C(=O)Nc2ccc3nc[nH]c3c2)c(C)n1C(C)C ZINC000299296261 524174314 /nfs/dbraw/zinc/17/43/14/524174314.db2.gz LOFKIGXQGCJIJD-UHFFFAOYSA-N 0 1 296.374 3.814 20 0 CHADMN Cc1csc(-c2cccc(NCc3[nH]ncc3C)c2)n1 ZINC000352846928 534764307 /nfs/dbraw/zinc/76/43/07/534764307.db2.gz TVQBMXUIXMAJNC-UHFFFAOYSA-N 0 1 284.388 3.762 20 0 CHADMN C[C@H](CCNCc1nccc(C(F)F)n1)c1ccccc1 ZINC000290065234 524197108 /nfs/dbraw/zinc/19/71/08/524197108.db2.gz FNTQDYDWDZGQAX-GFCCVEGCSA-N 0 1 291.345 3.698 20 0 CHADMN COc1ccc(F)c(CNCc2cccc3cccnc32)c1 ZINC000339218422 524277782 /nfs/dbraw/zinc/27/77/82/524277782.db2.gz HORUNDMVLVYZPD-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN COc1ccc(F)c(CNCc2ccc3[nH]c(C)cc3c2)c1 ZINC000339398274 524279370 /nfs/dbraw/zinc/27/93/70/524279370.db2.gz BZZSTGRHZZKUFR-UHFFFAOYSA-N 0 1 298.361 3.914 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC(C)=C(C)C1 ZINC000280673203 524294465 /nfs/dbraw/zinc/29/44/65/524294465.db2.gz GCBGHMYWLZSALX-INIZCTEOSA-N 0 1 286.419 3.673 20 0 CHADMN C[C@H]1CCN(Cc2csc(-c3ccsc3)n2)C1 ZINC000263698282 524298619 /nfs/dbraw/zinc/29/86/19/524298619.db2.gz LAQYMJKDHXQALF-JTQLQIEISA-N 0 1 264.419 3.713 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)NCc1cccc(F)c1 ZINC000037089717 524327448 /nfs/dbraw/zinc/32/74/48/524327448.db2.gz VPDXHIWBMNAGCZ-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)NCc1ccccc1 ZINC000037089834 524329194 /nfs/dbraw/zinc/32/91/94/524329194.db2.gz CZKWKINGIMMLPT-GFCCVEGCSA-N 0 1 259.324 3.685 20 0 CHADMN C[C@@H]1CCC[C@H](NC(=O)c2sccc2CN(C)C)CC1 ZINC000277072342 524407972 /nfs/dbraw/zinc/40/79/72/524407972.db2.gz IXCSBAQOANDFQP-OCCSQVGLSA-N 0 1 294.464 3.508 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2ccc(Cl)cn2)c1 ZINC000274933515 524435435 /nfs/dbraw/zinc/43/54/35/524435435.db2.gz RJFNUJKEQUVZGV-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN COc1ccccc1CNCc1ccc(OC(F)F)cc1 ZINC000019903125 524487087 /nfs/dbraw/zinc/48/70/87/524487087.db2.gz NFHJSGRNMCVVJD-UHFFFAOYSA-N 0 1 293.313 3.586 20 0 CHADMN COc1ccccc1C[C@@H](C)N(C)Cc1nc(C)cs1 ZINC000088602169 524500221 /nfs/dbraw/zinc/50/02/21/524500221.db2.gz NQTZCWCEBOSKNU-CYBMUJFWSA-N 0 1 290.432 3.523 20 0 CHADMN Cc1ccc(CNCc2cc(F)ccc2F)c(C)c1 ZINC000069749611 524583849 /nfs/dbraw/zinc/58/38/49/524583849.db2.gz OXQUTERDMGAXOZ-UHFFFAOYSA-N 0 1 261.315 3.871 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1nnc(-c2ccccc2)s1 ZINC000155293003 524649718 /nfs/dbraw/zinc/64/97/18/524649718.db2.gz LSVDOFGDYCSYAN-QWHCGFSZSA-N 0 1 287.432 3.826 20 0 CHADMN Cc1cc(CN(Cc2ccc(C)c(C)c2)C2CC2)ncn1 ZINC000292607442 524667278 /nfs/dbraw/zinc/66/72/78/524667278.db2.gz WNMMJTULQYEVAB-UHFFFAOYSA-N 0 1 281.403 3.566 20 0 CHADMN C[C@@H]1CC[C@H](NCc2ncccc2N(C)C)c2ccccc21 ZINC000289973545 524703586 /nfs/dbraw/zinc/70/35/86/524703586.db2.gz XMWBRBVXZXCYFO-PBHICJAKSA-N 0 1 295.430 3.876 20 0 CHADMN C[C@@H]1CC[C@H](NCc2ccc(CO)o2)c2ccccc21 ZINC000269805494 524705203 /nfs/dbraw/zinc/70/52/03/524705203.db2.gz KVYOERVYKBBKHM-PXAZEXFGSA-N 0 1 271.360 3.500 20 0 CHADMN Cc1cc(CN2CC[C@H](CSc3ccccc3)C2)no1 ZINC000075965015 524707641 /nfs/dbraw/zinc/70/76/41/524707641.db2.gz RZLTXEYPAUIKKC-AWEZNQCLSA-N 0 1 288.416 3.597 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1ccco1 ZINC000080339545 524723994 /nfs/dbraw/zinc/72/39/94/524723994.db2.gz NOACZINIBVWQJF-BDJLRTHQSA-N 0 1 259.324 3.832 20 0 CHADMN Cc1cc(CN[C@H]2C[C@@H](C(C)C)c3ccccc32)on1 ZINC000278846089 524786709 /nfs/dbraw/zinc/78/67/09/524786709.db2.gz VDTRAOSHGAHNEB-IRXDYDNUSA-N 0 1 270.376 3.957 20 0 CHADMN COc1ccncc1CN[C@@H]1CCc2cc(Cl)ccc21 ZINC000292565372 524858927 /nfs/dbraw/zinc/85/89/27/524858927.db2.gz YHICYFAZZTYHPD-OAHLLOKOSA-N 0 1 288.778 3.521 20 0 CHADMN Cc1csc(CNC[C@@H]2SCCc3ccccc32)n1 ZINC000344761648 534815204 /nfs/dbraw/zinc/81/52/04/534815204.db2.gz PLLCYQZUOOAZIJ-AWEZNQCLSA-N 0 1 290.457 3.572 20 0 CHADMN Cc1cc(Cl)cc(CNc2cnccc2-n2cccn2)c1 ZINC000339339054 524873448 /nfs/dbraw/zinc/87/34/48/524873448.db2.gz UQKZLIVSBGDZDG-UHFFFAOYSA-N 0 1 298.777 3.841 20 0 CHADMN COc1cncc(CN(C)[C@@H](C)c2ccc(C)cc2)c1 ZINC000290013042 524919728 /nfs/dbraw/zinc/91/97/28/524919728.db2.gz BUTWQGATSNCATH-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)c1ccccc1F ZINC000353857704 534821565 /nfs/dbraw/zinc/82/15/65/534821565.db2.gz MTSZIAWTUADABX-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN Cc1cc(F)ccc1CNCc1ccc(F)cc1F ZINC000051016981 524978355 /nfs/dbraw/zinc/97/83/55/524978355.db2.gz ALJQMQRKWVPPER-UHFFFAOYSA-N 0 1 265.278 3.702 20 0 CHADMN C[C@@H]1CN(Cc2cc(-c3ccccc3)no2)CCC1(F)F ZINC000289661299 524980908 /nfs/dbraw/zinc/98/09/08/524980908.db2.gz FIHOLQOCHUARMH-GFCCVEGCSA-N 0 1 292.329 3.819 20 0 CHADMN C[C@@H](N(C)Cc1cnc(Br)s1)C1(C)CC1 ZINC000289512497 524981915 /nfs/dbraw/zinc/98/19/15/524981915.db2.gz FMQHOENBBRFFHT-MRVPVSSYSA-N 0 1 289.242 3.526 20 0 CHADMN C[C@@H]1CN(Cc2cccc(OC(F)F)c2)CCC1(F)F ZINC000289377901 525005890 /nfs/dbraw/zinc/00/58/90/525005890.db2.gz CATLGFBWXNNKRY-SNVBAGLBSA-N 0 1 291.288 3.765 20 0 CHADMN COc1ncccc1CN[C@@H](C)c1ccc(C)c(C)c1 ZINC000037650408 525059818 /nfs/dbraw/zinc/05/98/18/525059818.db2.gz VHAQKFQIVWXHOI-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN C[C@H](NC1CC(F)(F)C1)c1nc2ccc(Cl)cc2n1C ZINC000277184579 525287554 /nfs/dbraw/zinc/28/75/54/525287554.db2.gz UFZBGPZRJBKDGD-QMMMGPOBSA-N 0 1 299.752 3.675 20 0 CHADMN Cc1cc(N[C@@H](CO)c2ccccc2)c2cc(F)ccc2n1 ZINC000121246389 525295870 /nfs/dbraw/zinc/29/58/70/525295870.db2.gz WCFJHNBGMWIKJS-SFHVURJKSA-N 0 1 296.345 3.828 20 0 CHADMN C[C@@H]1C[C@@H]1[C@@H](NCc1ccn(C)n1)c1ccc(Cl)cc1 ZINC000266154192 525332929 /nfs/dbraw/zinc/33/29/29/525332929.db2.gz LJAFBRUXILZDLD-RLCCDNCMSA-N 0 1 289.810 3.560 20 0 CHADMN C[C@H](NCCOC1CCCCC1)c1ccc(Cl)cn1 ZINC000274930837 525354205 /nfs/dbraw/zinc/35/42/05/525354205.db2.gz QVIXJRCLCOMNAA-LBPRGKRZSA-N 0 1 282.815 3.735 20 0 CHADMN C[C@@H](NC1(Cc2ccccc2)CC1)c1cscn1 ZINC000274765422 525391970 /nfs/dbraw/zinc/39/19/70/525391970.db2.gz LCTBHDSIDQEOPK-GFCCVEGCSA-N 0 1 258.390 3.569 20 0 CHADMN Cc1[nH]c2c(cc(C)cc2CN[C@H](C)c2cnccn2)c1C ZINC000268834099 525414446 /nfs/dbraw/zinc/41/44/46/525414446.db2.gz DABILQXLBLACPP-CQSZACIVSA-N 0 1 294.402 3.734 20 0 CHADMN C[C@@H]1C[C@H](N[C@H]2CCCc3c[nH]nc32)c2ccccc21 ZINC000290226744 525447688 /nfs/dbraw/zinc/44/76/88/525447688.db2.gz IJUSUANBJITTPU-RLCCDNCMSA-N 0 1 267.376 3.625 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccnn2C(C)C)ccc1F ZINC000280278524 525467074 /nfs/dbraw/zinc/46/70/74/525467074.db2.gz MODWHWZLEIBZPR-CYBMUJFWSA-N 0 1 275.371 3.762 20 0 CHADMN C[C@H](NCc1ccn(C)c1)c1csc(Cl)c1 ZINC000276398600 525467826 /nfs/dbraw/zinc/46/78/26/525467826.db2.gz SJLSAQCBDMZEHD-VIFPVBQESA-N 0 1 254.786 3.591 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H]1CCCCC1(C)C ZINC000279810251 525471111 /nfs/dbraw/zinc/47/11/11/525471111.db2.gz UFLAHUIJNMRWEN-SECBINFHSA-N 0 1 285.338 3.811 20 0 CHADMN COc1ccc2c(c1)C1(CC1)CN([C@H](C)c1ccccn1)C2 ZINC000289419110 525508527 /nfs/dbraw/zinc/50/85/27/525508527.db2.gz BTAJDSZYOYZTBK-CQSZACIVSA-N 0 1 294.398 3.699 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2NCc1nc(C)cs1 ZINC000038090584 525517154 /nfs/dbraw/zinc/51/71/54/525517154.db2.gz KKPOQYJTGBEHJB-HNNXBMFYSA-N 0 1 288.416 3.627 20 0 CHADMN C[C@@H](NCc1ccc(C2CCC2)cc1)c1cnccn1 ZINC000276846839 525520985 /nfs/dbraw/zinc/52/09/85/525520985.db2.gz DBYVKQCQWXMGMO-CYBMUJFWSA-N 0 1 267.376 3.595 20 0 CHADMN Cc1cccnc1CNCc1cc(Br)cs1 ZINC000070908140 525524931 /nfs/dbraw/zinc/52/49/31/525524931.db2.gz YDJYKYNTUVIFQH-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN C[C@H](N[C@@H]1CCC(C)(C)C[C@H]1C)c1nc(C2CC2)no1 ZINC000120904655 525552034 /nfs/dbraw/zinc/55/20/34/525552034.db2.gz DYCXCGGPKRDQTB-NTZNESFSSA-N 0 1 277.412 3.812 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1ccc(C)cc1OC)CC2 ZINC000119823370 525589413 /nfs/dbraw/zinc/58/94/13/525589413.db2.gz QRGQPBGQIOOFAC-GOSISDBHSA-N 0 1 297.398 3.789 20 0 CHADMN Cc1ccn2cc(CN[C@@H](c3ccccc3)C3CC3)nc2c1 ZINC000271776092 525618097 /nfs/dbraw/zinc/61/80/97/525618097.db2.gz UYNHRBLBZKXIAT-IBGZPJMESA-N 0 1 291.398 3.884 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000062999744 525627168 /nfs/dbraw/zinc/62/71/68/525627168.db2.gz BSIRDUCEXAISSN-BZNIZROVSA-N 0 1 293.769 3.863 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(Cl)s1 ZINC000280177867 525641566 /nfs/dbraw/zinc/64/15/66/525641566.db2.gz RNATYROQNOBWHC-MWLCHTKSSA-N 0 1 295.839 3.863 20 0 CHADMN Cc1ccc(SCc2nc([C@H](N)CC(C)C)no2)cc1 ZINC000339393776 525664112 /nfs/dbraw/zinc/66/41/12/525664112.db2.gz HCOAMPVUKWZPOU-CYBMUJFWSA-N 0 1 291.420 3.716 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccco1)c1cccc(C2CC2)c1 ZINC000340362647 525667467 /nfs/dbraw/zinc/66/74/67/525667467.db2.gz QILCNGYUKFNWLE-CXAGYDPISA-N 0 1 285.387 3.931 20 0 CHADMN COc1ccc2nc(SC3C[C@H](C)O[C@@H](C)C3)[nH]c2c1 ZINC000338502537 525680193 /nfs/dbraw/zinc/68/01/93/525680193.db2.gz ZNEDNCDDFVQONV-UWVGGRQHSA-N 0 1 292.404 3.620 20 0 CHADMN Cc1ccc(-c2cc(-c3nc(-c4ccco4)no3)[nH]n2)cc1 ZINC000340649307 525714602 /nfs/dbraw/zinc/71/46/02/525714602.db2.gz HFEZIBCDSFSTPE-UHFFFAOYSA-N 0 1 292.298 3.695 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc(Cn3ccnc3)c2)o1 ZINC000151359889 525733074 /nfs/dbraw/zinc/73/30/74/525733074.db2.gz NZJUVUIVNJZNLK-OAHLLOKOSA-N 0 1 295.386 3.684 20 0 CHADMN Cc1ccncc1CN(C)Cc1cc2ccccc2o1 ZINC000353620530 525739729 /nfs/dbraw/zinc/73/97/29/525739729.db2.gz DLJRBZKZARXBMA-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN Cc1ccncc1CN[C@@H]1CCCOc2c(F)cccc21 ZINC000280272173 525750319 /nfs/dbraw/zinc/75/03/19/525750319.db2.gz MASDXTWWFQLCAA-MRXNPFEDSA-N 0 1 286.350 3.533 20 0 CHADMN Cc1ccncc1CN[C@H]1CCCOc2cc(F)ccc21 ZINC000280328853 525751143 /nfs/dbraw/zinc/75/11/43/525751143.db2.gz PXBLFHRQLPOOCJ-INIZCTEOSA-N 0 1 286.350 3.533 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccnc(N)c2)o1 ZINC000299213697 525845093 /nfs/dbraw/zinc/84/50/93/525845093.db2.gz HSUBZUPZYZOVAO-WFASDCNBSA-N 0 1 285.391 3.538 20 0 CHADMN C[C@@H](O)c1ncc(CN[C@H](C)c2cccc(Cl)c2)s1 ZINC000290023093 525883567 /nfs/dbraw/zinc/88/35/67/525883567.db2.gz HOQUBHLNOSZPEN-NXEZZACHSA-N 0 1 296.823 3.701 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2CCc3c2cccc3O)o1 ZINC000036960474 525941403 /nfs/dbraw/zinc/94/14/03/525941403.db2.gz UOSWTGXTZQVSDP-SMDDNHRTSA-N 0 1 257.333 3.632 20 0 CHADMN Cc1ccc([C@H](NC[C@@H]2CCCCO2)c2ccccn2)cc1 ZINC000279960155 525970722 /nfs/dbraw/zinc/97/07/22/525970722.db2.gz HAPXXVWSYZWPFN-HKUYNNGSSA-N 0 1 296.414 3.638 20 0 CHADMN Cc1cnc(CN2CCCC[C@@H]2CCC(C)C)nc1 ZINC000340699863 526013724 /nfs/dbraw/zinc/01/37/24/526013724.db2.gz ICYIWKNOSNEBTM-OAHLLOKOSA-N 0 1 261.413 3.576 20 0 CHADMN Cc1c[nH]nc1CN1CCC(c2ccc(F)cc2C)CC1 ZINC000292849761 526024898 /nfs/dbraw/zinc/02/48/98/526024898.db2.gz TWXYFWPMFDYGEU-UHFFFAOYSA-N 0 1 287.382 3.545 20 0 CHADMN Cc1c[nH]nc1CN[C@H](CC(C)C)c1ccccc1 ZINC000289410289 526033569 /nfs/dbraw/zinc/03/35/69/526033569.db2.gz AEEYLTIWZGYZHS-OAHLLOKOSA-N 0 1 257.381 3.595 20 0 CHADMN Cc1c[nH]nc1CN[C@@H]1CCC(C)(C)c2ccccc21 ZINC000289425612 526034676 /nfs/dbraw/zinc/03/46/76/526034676.db2.gz DCXYEVXXMFWSMW-OAHLLOKOSA-N 0 1 269.392 3.620 20 0 CHADMN Cc1c[nH]nc1CN[C@@H]1CCc2ccc(C(C)C)cc21 ZINC000289607030 526034926 /nfs/dbraw/zinc/03/49/26/526034926.db2.gz VKZATPIHBBSNEB-MRXNPFEDSA-N 0 1 269.392 3.619 20 0 CHADMN Cc1cn[nH]c1CNc1cccc(N2CCC(C)CC2)c1 ZINC000289443030 526037006 /nfs/dbraw/zinc/03/70/06/526037006.db2.gz GEONBSVKUFVKQL-UHFFFAOYSA-N 0 1 284.407 3.567 20 0 CHADMN C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000086728207 526039451 /nfs/dbraw/zinc/03/94/51/526039451.db2.gz DLWWKDUEGXAPAB-ZFWWWQNUSA-N 0 1 289.419 3.842 20 0 CHADMN Cc1cnc(CN[C@@H]2c3ccccc3CCC2(C)C)n1C ZINC000341293225 526046057 /nfs/dbraw/zinc/04/60/57/526046057.db2.gz VEJKYSMWGDGKQA-QGZVFWFLSA-N 0 1 283.419 3.532 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1Cl)N1CCC[C@@H](O)CC1 ZINC000293179604 526048160 /nfs/dbraw/zinc/04/81/60/526048160.db2.gz PQPVEXGYCPBNCJ-CMPLNLGQSA-N 0 1 288.218 3.901 20 0 CHADMN Cc1cc(-c2nc([C@H](N)CC(C)C)no2)nc2ccccc12 ZINC000339388718 526055157 /nfs/dbraw/zinc/05/51/57/526055157.db2.gz IZPYIADQXKEAON-CYBMUJFWSA-N 0 1 296.374 3.639 20 0 CHADMN C[C@H](c1ccccc1)N(Cc1ccc(F)cn1)C1CC1 ZINC000276288340 526095226 /nfs/dbraw/zinc/09/52/26/526095226.db2.gz VDRFJHYLSQEIKC-CYBMUJFWSA-N 0 1 270.351 3.946 20 0 CHADMN C[C@H](c1ccccc1)N(Cc1nccn1C)CC1CCC1 ZINC000077372269 526097377 /nfs/dbraw/zinc/09/73/77/526097377.db2.gz VWMQSHUAAMSVJQ-OAHLLOKOSA-N 0 1 283.419 3.783 20 0 CHADMN Cc1ccc2[nH]c([C@@H]3CCCN3C[C@H]3CCCCO3)nc2c1 ZINC000289389725 526103165 /nfs/dbraw/zinc/10/31/65/526103165.db2.gz QVBYSXKRQSKVHX-PBHICJAKSA-N 0 1 299.418 3.577 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C[C@H]3CCCCO3)[nH]c2c1 ZINC000289389725 526103184 /nfs/dbraw/zinc/10/31/84/526103184.db2.gz QVBYSXKRQSKVHX-PBHICJAKSA-N 0 1 299.418 3.577 20 0 CHADMN C[C@H](c1cccnc1)N(C)Cc1ccc(Cl)cc1 ZINC000079876321 526131688 /nfs/dbraw/zinc/13/16/88/526131688.db2.gz CYXCLVMLWRQDSX-GFCCVEGCSA-N 0 1 260.768 3.928 20 0 CHADMN CSc1cccc(NC(=O)c2cn[nH]c2C2CC2)c1C ZINC000276852402 526134688 /nfs/dbraw/zinc/13/46/88/526134688.db2.gz IRXPLIUOCWKCSZ-UHFFFAOYSA-N 0 1 287.388 3.570 20 0 CHADMN CSc1cccc(NC(=O)c2cccc3nc(C)[nH]c32)c1 ZINC000338500549 526136457 /nfs/dbraw/zinc/13/64/57/526136457.db2.gz GLHGMAXLJSBXPX-UHFFFAOYSA-N 0 1 297.383 3.846 20 0 CHADMN CSc1ccccc1-c1nc([C@H](N)CC(C)C)no1 ZINC000339356945 526144762 /nfs/dbraw/zinc/14/47/62/526144762.db2.gz CYIAISYQOFPNTN-LLVKDONJSA-N 0 1 277.393 3.504 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ncccc1N(C)C)CCC2 ZINC000289982687 526193319 /nfs/dbraw/zinc/19/33/19/526193319.db2.gz XZAFMLVKMIKSMA-KRWDZBQOSA-N 0 1 295.430 3.623 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(Cl)s1 ZINC000250216453 526293111 /nfs/dbraw/zinc/29/31/11/526293111.db2.gz PCHXSEWHPCJMAH-JLLWLGSASA-N 0 1 299.823 3.619 20 0 CHADMN Fc1cc(-c2ccncc2)ccc1CN[C@H]1CCC[C@@H]1F ZINC000339587758 526294083 /nfs/dbraw/zinc/29/40/83/526294083.db2.gz TUUCLCGFLXKYBC-RDJZCZTQSA-N 0 1 288.341 3.868 20 0 CHADMN Fc1cc(C2CC2)ccc1CNCc1cnn2ccccc12 ZINC000291828652 526295714 /nfs/dbraw/zinc/29/57/14/526295714.db2.gz ZZZBPTGQEXWQJG-UHFFFAOYSA-N 0 1 295.361 3.641 20 0 CHADMN Fc1ccc(-c2cc(-c3nc(-c4ccco4)no3)[nH]n2)cc1 ZINC000340657501 526313364 /nfs/dbraw/zinc/31/33/64/526313364.db2.gz GDEVMBUGUGMVHA-UHFFFAOYSA-N 0 1 296.261 3.526 20 0 CHADMN Fc1ccc(-c2nc(CN3CCC4(CC4)CC3)co2)cc1 ZINC000366684075 526314916 /nfs/dbraw/zinc/31/49/16/526314916.db2.gz NSSCALKWUZGABL-UHFFFAOYSA-N 0 1 286.350 3.857 20 0 CHADMN Cc1csc(CN[C@@H](C)c2ccc(C)s2)n1 ZINC000038090596 526360871 /nfs/dbraw/zinc/36/08/71/526360871.db2.gz CNPUKGBABYSGJS-JTQLQIEISA-N 0 1 252.408 3.672 20 0 CHADMN Oc1ccc2c(c1)[C@@H](NCc1ccc(F)cc1F)CCC2 ZINC000236598218 526352583 /nfs/dbraw/zinc/35/25/83/526352583.db2.gz XJLAKDVPLUYOFL-KRWDZBQOSA-N 0 1 289.325 3.838 20 0 CHADMN Fc1ccccc1-c1n[nH]c(SCC2CC(F)(F)C2)n1 ZINC000294962187 526406815 /nfs/dbraw/zinc/40/68/15/526406815.db2.gz NBWKIVMYEADYOT-UHFFFAOYSA-N 0 1 299.321 3.748 20 0 CHADMN c1cc(-c2ccc(CN[C@@H]3CCCc4sccc43)o2)n[nH]1 ZINC000366033200 526411657 /nfs/dbraw/zinc/41/16/57/526411657.db2.gz YRMJVFRLXYSSRR-CYBMUJFWSA-N 0 1 299.399 3.898 20 0 CHADMN Fc1cncc(CN2CCC[C@H]2c2ccccc2)c1 ZINC000275096997 526422635 /nfs/dbraw/zinc/42/26/35/526422635.db2.gz BAIWWPHSNICYRW-INIZCTEOSA-N 0 1 256.324 3.558 20 0 CHADMN O=C(CCCN1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000088432183 526432398 /nfs/dbraw/zinc/43/23/98/526432398.db2.gz FIBRIKSGNHITGA-UHFFFAOYSA-N 0 1 299.336 3.924 20 0 CHADMN c1ccc(C2(NCc3cccc4c3OCCO4)CCC2)cc1 ZINC000065275590 526462421 /nfs/dbraw/zinc/46/24/21/526462421.db2.gz HTFAHBNMCOTENM-UHFFFAOYSA-N 0 1 295.382 3.627 20 0 CHADMN c1ccc(CNCc2ccc(OC3CCCC3)cc2)nc1 ZINC000032128469 526472082 /nfs/dbraw/zinc/47/20/82/526472082.db2.gz ILPPKWRBHBGUDB-UHFFFAOYSA-N 0 1 282.387 3.693 20 0 CHADMN c1cn2cc(CN[C@@H]3CCCc4ccccc43)nc2s1 ZINC000126650872 526539371 /nfs/dbraw/zinc/53/93/71/526539371.db2.gz OVOLVIKGTYVEOD-OAHLLOKOSA-N 0 1 283.400 3.563 20 0 CHADMN Cc1n[nH]cc1CN[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000037878784 526555949 /nfs/dbraw/zinc/55/59/49/526555949.db2.gz NXMYWFNELOLJEQ-MRVPVSSYSA-N 0 1 284.190 3.876 20 0 CHADMN c1nnsc1CN(Cc1ccccc1)C1CCCCC1 ZINC000289959651 526625073 /nfs/dbraw/zinc/62/50/73/526625073.db2.gz INJAAHQJSYCGNE-UHFFFAOYSA-N 0 1 287.432 3.873 20 0 CHADMN Brc1ccccc1CN1CCC12CCC2 ZINC000353644033 526647050 /nfs/dbraw/zinc/64/70/50/526647050.db2.gz BSKJCWUKCITXLX-UHFFFAOYSA-N 0 1 266.182 3.578 20 0 CHADMN Cc1oc2ccccc2c1CN[C@H](C)c1cnn(C)c1C ZINC000123259338 526788650 /nfs/dbraw/zinc/78/86/50/526788650.db2.gz ADRJYZLDVDGQRY-LLVKDONJSA-N 0 1 283.375 3.634 20 0 CHADMN Cc1sccc1CNCc1nc2cccc(C)c2[nH]1 ZINC000339333058 526917023 /nfs/dbraw/zinc/91/70/23/526917023.db2.gz KACAZJFNFFJPCU-UHFFFAOYSA-N 0 1 271.389 3.531 20 0 CHADMN Cc1sccc1CN[C@H]1CCOc2c(C)cccc21 ZINC000339370694 526919857 /nfs/dbraw/zinc/91/98/57/526919857.db2.gz CBYVCHWWEGIQAK-HNNXBMFYSA-N 0 1 273.401 3.978 20 0 CHADMN Cc1sccc1CN[C@H]1c2ccc(F)cc2O[C@H]1C ZINC000339401722 526921512 /nfs/dbraw/zinc/92/15/12/526921512.db2.gz XGQOOBDBTWZYTA-BJOHPYRUSA-N 0 1 277.364 3.807 20 0 CHADMN Cc1nc(F)ccc1CN1CCC[C@H]1c1ccsc1 ZINC000278376651 526944365 /nfs/dbraw/zinc/94/43/65/526944365.db2.gz CHTMASNHTXEHKU-AWEZNQCLSA-N 0 1 276.380 3.928 20 0 CHADMN Cc1nc(F)ccc1CN(C)[C@H](C)c1cccs1 ZINC000278361631 526944511 /nfs/dbraw/zinc/94/45/11/526944511.db2.gz AYOQTBXATOLGRT-LLVKDONJSA-N 0 1 264.369 3.784 20 0 CHADMN Clc1ccc([C@H]2C[C@H](NCc3cscn3)C2)cc1 ZINC000280254048 526965298 /nfs/dbraw/zinc/96/52/98/526965298.db2.gz LJFIJQSEFCYNFT-AULYBMBSSA-N 0 1 278.808 3.832 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)C1=CCCCC1 ZINC000287051493 527107637 /nfs/dbraw/zinc/10/76/37/527107637.db2.gz UFQPNUZCWCWHHZ-UHFFFAOYSA-N 0 1 269.703 3.624 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@H](C)c1cccc(O)c1)CCC2 ZINC000363783078 527109063 /nfs/dbraw/zinc/10/90/63/527109063.db2.gz MKFUNKHWRMHHNJ-YGRLFVJLSA-N 0 1 288.416 3.885 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2Cc3ccccc3[C@@H]2C)[nH]1 ZINC000338542373 527152275 /nfs/dbraw/zinc/15/22/75/527152275.db2.gz NZMWGQJWDOOUMI-NSHDSACASA-N 0 1 291.354 3.588 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@@H]3CCC[C@@H](C)CC3)c2[nH]1 ZINC000338613273 527156117 /nfs/dbraw/zinc/15/61/17/527156117.db2.gz YFSHJIXLAOEHIU-DGCLKSJQSA-N 0 1 285.391 3.570 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3ccc4[nH]ccc4c3)c2[nH]1 ZINC000338505013 527157287 /nfs/dbraw/zinc/15/72/87/527157287.db2.gz JKBAEIXNTKFLTL-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2ccc(C(F)(F)F)cc2)cn1 ZINC000339284950 527276125 /nfs/dbraw/zinc/27/61/25/527276125.db2.gz UQJLJGWRANNVHN-JTQLQIEISA-N 0 1 295.308 3.655 20 0 CHADMN Cc1ncc(CN[C@H](c2ccc(F)cc2)C(C)(C)C)cn1 ZINC000340415791 527279225 /nfs/dbraw/zinc/27/92/25/527279225.db2.gz RLSSXMVTDRNVLN-MRXNPFEDSA-N 0 1 287.382 3.801 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccccc2OC(C)C)c(C)n1 ZINC000128985662 527307023 /nfs/dbraw/zinc/30/70/23/527307023.db2.gz QOIUMVNGCXDZJW-CYBMUJFWSA-N 0 1 299.418 3.731 20 0 CHADMN CC(C)(O)CCN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000347270409 527320561 /nfs/dbraw/zinc/32/05/61/527320561.db2.gz TUSXZXGMLRFREU-AWEZNQCLSA-N 0 1 299.867 3.591 20 0 CHADMN Cc1nccc(CN[C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000339228989 527338423 /nfs/dbraw/zinc/33/84/23/527338423.db2.gz FAOXSFRHGYKKCE-QGZVFWFLSA-N 0 1 285.366 3.555 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H]1CCSc2ccccc21 ZINC000187769548 527454944 /nfs/dbraw/zinc/45/49/44/527454944.db2.gz NMKVMMAUPFWNDY-TZMCWYRMSA-N 0 1 285.416 3.673 20 0 CHADMN C(c1nnc(C2CC2)s1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000336197485 527495857 /nfs/dbraw/zinc/49/58/57/527495857.db2.gz GMAIBRJGWMKWQE-AAEUAGOBSA-N 0 1 277.437 3.570 20 0 CHADMN Cc1ncsc1CN1CCSC[C@@H]1c1ccccc1 ZINC000128393492 527503125 /nfs/dbraw/zinc/50/31/25/527503125.db2.gz PAQVXZZLNIBMHG-CQSZACIVSA-N 0 1 290.457 3.742 20 0 CHADMN Cn1ncc(Cl)c1CNCc1cc2ccccc2s1 ZINC000339417793 527571741 /nfs/dbraw/zinc/57/17/41/527571741.db2.gz UOQHJUIANXQPIL-UHFFFAOYSA-N 0 1 291.807 3.578 20 0 CHADMN O=C([O-])C[N@@H+](Cc1cccc2ccccc21)C1CCCC1 ZINC000037596936 527606375 /nfs/dbraw/zinc/60/63/75/527606375.db2.gz LEOIPJRUVFFNDT-UHFFFAOYSA-N 0 1 283.371 3.669 20 0 CHADMN Cn1nccc1[C@@H]1CCCCN1Cc1cc2ccccc2o1 ZINC000337258447 527624305 /nfs/dbraw/zinc/62/43/05/527624305.db2.gz OLVGHJBPGIYLIY-KRWDZBQOSA-N 0 1 295.386 3.894 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000299744343 527635084 /nfs/dbraw/zinc/63/50/84/527635084.db2.gz OHACPQISVVAAJH-NSHDSACASA-N 0 1 299.773 3.556 20 0 CHADMN FC(F)(F)CCCNCc1ncc(C(F)(F)F)s1 ZINC000278639458 527665096 /nfs/dbraw/zinc/66/50/96/527665096.db2.gz LGHWODNYAVVXTO-UHFFFAOYSA-N 0 1 292.248 3.594 20 0 CHADMN Cc1nn(C)c(Cl)c1CN[C@@H](C)c1ccc(C)cc1 ZINC000163892938 527667150 /nfs/dbraw/zinc/66/71/50/527667150.db2.gz FIOGHPBYPBIQQW-NSHDSACASA-N 0 1 277.799 3.541 20 0 CHADMN Cc1nn(C)c(Cl)c1CN[C@H]1CCCc2sccc21 ZINC000157908387 527668169 /nfs/dbraw/zinc/66/81/69/527668169.db2.gz XWBVIFMPTNCTBO-LBPRGKRZSA-N 0 1 295.839 3.611 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NCc1ccccc1C(F)(F)F ZINC000087409848 527696599 /nfs/dbraw/zinc/69/65/99/527696599.db2.gz BGSJMMZSMKCATC-SNVBAGLBSA-N 0 1 297.324 3.598 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1nccc2ccccc21 ZINC000289810076 527699902 /nfs/dbraw/zinc/69/99/02/527699902.db2.gz PJQRSDSTKOZURD-JSGCOSHPSA-N 0 1 294.402 3.689 20 0 CHADMN CC(C)CC[C@@H]1CCCCN1C(=O)c1cccc2c[nH]nc21 ZINC000354955451 527815695 /nfs/dbraw/zinc/81/56/95/527815695.db2.gz WZKXQJCFVQRKQE-HNNXBMFYSA-N 0 1 299.418 3.994 20 0 CHADMN CC(C)CCc1noc([C@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000443083677 527876847 /nfs/dbraw/zinc/87/68/47/527876847.db2.gz FEHMGYSMSWFEGZ-XQQFMLRXSA-N 0 1 265.401 3.592 20 0 CHADMN CCCN(CCC)C(=O)CN(Cc1cccs1)C(C)C ZINC000353717250 528042813 /nfs/dbraw/zinc/04/28/13/528042813.db2.gz UWBFANIUISHPDJ-UHFFFAOYSA-N 0 1 296.480 3.607 20 0 CHADMN CC(C)COc1cccc(CN(C)Cc2ccncc2)c1 ZINC000350391237 528169486 /nfs/dbraw/zinc/16/94/86/528169486.db2.gz LQVIORZWRAVNGA-UHFFFAOYSA-N 0 1 284.403 3.748 20 0 CHADMN CC(C)c1ccccc1N(C)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000336509095 528190213 /nfs/dbraw/zinc/19/02/13/528190213.db2.gz YIIGXYGOSRJOER-AWEZNQCLSA-N 0 1 297.402 3.616 20 0 CHADMN CC(C)CSCCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000352202193 528212049 /nfs/dbraw/zinc/21/20/49/528212049.db2.gz IUCFUUNHIYCRKD-HNNXBMFYSA-N 0 1 281.469 3.716 20 0 CHADMN CC(C)c1ncc(CNCc2ccccc2N(C)C)s1 ZINC000347845970 528351451 /nfs/dbraw/zinc/35/14/51/528351451.db2.gz ZXQSOWHHUPPHBZ-UHFFFAOYSA-N 0 1 289.448 3.622 20 0 CHADMN CCN(CCCc1ccncc1)Cc1c(F)cccc1F ZINC000347306575 528474924 /nfs/dbraw/zinc/47/49/24/528474924.db2.gz KJFSTOMPAWQOGU-UHFFFAOYSA-N 0 1 290.357 3.815 20 0 CHADMN CCN(CCOC)[C@H](C)c1cccc(Cl)c1F ZINC000347387665 528564863 /nfs/dbraw/zinc/56/48/63/528564863.db2.gz YVCLDCSSEZZVEM-SNVBAGLBSA-N 0 1 259.752 3.508 20 0 CHADMN CCOc1ccc2nc(SC[C@@H]3CC[C@@H](C)O3)[nH]c2c1 ZINC000352244629 528625678 /nfs/dbraw/zinc/62/56/78/528625678.db2.gz VIQNILKYMLLFCE-PWSUYJOCSA-N 0 1 292.404 3.621 20 0 CHADMN CCCc1nc(CN(C[C@@H](C)O)C2CCCCC2)cs1 ZINC000355798096 528745239 /nfs/dbraw/zinc/74/52/39/528745239.db2.gz OCKQOOKAPYLZQA-CYBMUJFWSA-N 0 1 296.480 3.611 20 0 CHADMN CCN(Cc1c(F)cccc1F)C[C@@H]1CCO[C@@H](C)C1 ZINC000352729742 528760595 /nfs/dbraw/zinc/76/05/95/528760595.db2.gz WLYDNONGPMWPDL-QWHCGFSZSA-N 0 1 283.362 3.602 20 0 CHADMN CCOCCO[C@@H]1CCN([C@H](C)c2ccc(Cl)cc2)C1 ZINC000347918260 528822665 /nfs/dbraw/zinc/82/26/65/528822665.db2.gz MDGUUBQLGIPZSS-CZUORRHYSA-N 0 1 297.826 3.528 20 0 CHADMN CCN(Cc1conc1C)[C@H](C)c1ccc(F)cc1 ZINC000350478006 528880167 /nfs/dbraw/zinc/88/01/67/528880167.db2.gz MPGBOZKSOJFXHS-GFCCVEGCSA-N 0 1 262.328 3.705 20 0 CHADMN CCN(Cc1cscc1C(F)(F)F)C[C@H]1CCCO1 ZINC000356052865 528880998 /nfs/dbraw/zinc/88/09/98/528880998.db2.gz ISTCCEGXHWSCAG-LLVKDONJSA-N 0 1 293.354 3.768 20 0 CHADMN CCC1(C(=O)Nc2cc(Cl)c(O)cc2F)CCC1 ZINC000336589554 529009872 /nfs/dbraw/zinc/00/98/72/529009872.db2.gz GISBUSYPJCRXDZ-UHFFFAOYSA-N 0 1 271.719 3.704 20 0 CHADMN CCN(C(=O)c1cc(-c2ccco2)n[nH]1)c1cccc(C)c1 ZINC000347100642 529068087 /nfs/dbraw/zinc/06/80/87/529068087.db2.gz NLPUHNBJOGTUSB-UHFFFAOYSA-N 0 1 295.342 3.645 20 0 CHADMN CC[C@@H](NCc1ccc2cc[nH]c2n1)c1cccc(F)c1 ZINC000353632436 529185363 /nfs/dbraw/zinc/18/53/63/529185363.db2.gz UAZFRGQKKHLXIE-MRXNPFEDSA-N 0 1 283.350 3.943 20 0 CHADMN CC[C@H]1CCCN(Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000351965649 529217566 /nfs/dbraw/zinc/21/75/66/529217566.db2.gz UUGKKWUKUCVEHK-GXTWGEPZSA-N 0 1 280.437 3.617 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1csc(COC)n1)C1CC1 ZINC000353310501 529238306 /nfs/dbraw/zinc/23/83/06/529238306.db2.gz RZMAHPJEPFQXRA-RYUDHWBXSA-N 0 1 282.453 3.689 20 0 CHADMN CCSc1cccc(CN2CCC[C@H]2CF)c1 ZINC000354524700 529250484 /nfs/dbraw/zinc/25/04/84/529250484.db2.gz YAXVYGWEVHWMGL-ZDUSSCGKSA-N 0 1 253.386 3.733 20 0 CHADMN CC[C@@H]1CCCN(Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000351965653 529298478 /nfs/dbraw/zinc/29/84/78/529298478.db2.gz UUGKKWUKUCVEHK-OCCSQVGLSA-N 0 1 280.437 3.617 20 0 CHADMN CC[C@@H](C)CN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000347305619 529319831 /nfs/dbraw/zinc/31/98/31/529319831.db2.gz LXTFMEDRMROZGP-OCCSQVGLSA-N 0 1 277.412 3.910 20 0 CHADMN CC[C@H](CN[C@@H](C)c1nc2ccccc2n1C(F)F)OC ZINC000353558404 529368752 /nfs/dbraw/zinc/36/87/52/529368752.db2.gz JFQFHCWRDBBJEG-WDEREUQCSA-N 0 1 297.349 3.507 20 0 CHADMN CCC[C@@H](C)N1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000192847547 567002250 /nfs/dbraw/zinc/00/22/50/567002250.db2.gz KMVGQHDUPRMTMK-DGCLKSJQSA-N 0 1 296.436 3.645 20 0 CHADMN CC[C@H](C)[C@H](C)[N@@H+](Cc1cc(C)c(C(=O)[O-])o1)C1CC1 ZINC000652410145 599814581 /nfs/dbraw/zinc/81/45/81/599814581.db2.gz FFSDZBCOQNRSKB-JQWIXIFHSA-N 0 1 279.380 3.685 20 0 CHADMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1cc(C)c(C(=O)[O-])o1)C1CC1 ZINC000652410146 599814780 /nfs/dbraw/zinc/81/47/80/599814780.db2.gz FFSDZBCOQNRSKB-PWSUYJOCSA-N 0 1 279.380 3.685 20 0 CHADMN CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000652395321 599847051 /nfs/dbraw/zinc/84/70/51/599847051.db2.gz NRRMSVRYXGCZDN-CYBMUJFWSA-N 0 1 291.372 3.549 20 0 CHADMN CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc(C(=O)[O-])co1 ZINC000652395321 599847052 /nfs/dbraw/zinc/84/70/52/599847052.db2.gz NRRMSVRYXGCZDN-CYBMUJFWSA-N 0 1 291.372 3.549 20 0 CHADMN O=C([O-])c1coc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000652398445 599848970 /nfs/dbraw/zinc/84/89/70/599848970.db2.gz CNXRHLKTWBSDLH-QGZVFWFLSA-N 0 1 297.354 3.630 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1cc(C(=O)[O-])co1 ZINC000736927698 599849343 /nfs/dbraw/zinc/84/93/43/599849343.db2.gz DMTYFOAJVXWLAR-INIZCTEOSA-N 0 1 287.359 3.951 20 0 CHADMN C[C@@H](C[N@@H+](Cc1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000564091591 599950566 /nfs/dbraw/zinc/95/05/66/599950566.db2.gz ASPHJNMBMIVGFR-ZDUSSCGKSA-N 0 1 283.371 3.525 20 0 CHADMN C[C@H](C[N@@H+](Cc1cccc2ccccc21)C1CC1)C(=O)[O-] ZINC000071736654 599950955 /nfs/dbraw/zinc/95/09/55/599950955.db2.gz YYECAWYGJMOXOI-CYBMUJFWSA-N 0 1 283.371 3.525 20 0 CHADMN C[C@H](c1cccc(F)c1)[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736717359 600080933 /nfs/dbraw/zinc/08/09/33/600080933.db2.gz MQABOTHQUWIWEZ-LLVKDONJSA-N 0 1 285.318 3.601 20 0 CHADMN C[C@H](c1cccc(F)c1)[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736717359 600080937 /nfs/dbraw/zinc/08/09/37/600080937.db2.gz MQABOTHQUWIWEZ-LLVKDONJSA-N 0 1 285.318 3.601 20 0 CHADMN C[N@@H+](CCCc1cccc2ccccc21)C(C)(C)C(=O)[O-] ZINC000737441128 600208494 /nfs/dbraw/zinc/20/84/94/600208494.db2.gz RQAYGUZGVFKADW-UHFFFAOYSA-N 0 1 285.387 3.567 20 0 CHADMN CC(C)[N@@H+](CCCc1cccc2ccccc21)CCC(=O)[O-] ZINC000652478403 600209073 /nfs/dbraw/zinc/20/90/73/600209073.db2.gz AFUVRRKUIWYITD-UHFFFAOYSA-N 0 1 299.414 3.958 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])o2)CC1 ZINC000079349746 600216358 /nfs/dbraw/zinc/21/63/58/600216358.db2.gz ZIRAKSSJZWQJCT-LBPRGKRZSA-N 0 1 279.380 3.626 20 0 CHADMN C[C@H](C[N@@H+](CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000659790895 600260902 /nfs/dbraw/zinc/26/09/02/600260902.db2.gz ZQXYWJCBQLIOMT-MRXNPFEDSA-N 0 1 297.398 3.767 20 0 CHADMN CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])c(C)o1 ZINC000736879496 600432357 /nfs/dbraw/zinc/43/23/57/600432357.db2.gz FCACEDWAXOARLF-XHDPSFHLSA-N 0 1 279.380 3.687 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)[C@@H](c2ccco2)C1 ZINC000578329855 600861923 /nfs/dbraw/zinc/86/19/23/600861923.db2.gz PZPDLXDCDBMVDJ-SMDDNHRTSA-N 0 1 289.331 3.544 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCCC(C)(C)CC1 ZINC000091782767 600971583 /nfs/dbraw/zinc/97/15/83/600971583.db2.gz MTKQSYIFBOCMTO-NSHDSACASA-N 0 1 265.353 3.551 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC3(C2)CCCCC3)c1 ZINC000261854110 600975140 /nfs/dbraw/zinc/97/51/40/600975140.db2.gz WYWSAJQTOQJOIV-UHFFFAOYSA-N 0 1 273.376 3.541 20 0 CHADMN CC[C@@]1(C)CCC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000578660748 601036586 /nfs/dbraw/zinc/03/65/86/601036586.db2.gz TVRBFJYNFWJPMQ-ABAIWWIYSA-N 0 1 265.353 3.551 20 0 CHADMN C[C@@H]1c2ccccc2C[N@H+]1[C@H](C(=O)[O-])c1ccccc1F ZINC000828526840 601116847 /nfs/dbraw/zinc/11/68/47/601116847.db2.gz DZZZSRCSUJAWKX-BZNIZROVSA-N 0 1 285.318 3.528 20 0 CHADMN C/C(=C\C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000825741231 601155391 /nfs/dbraw/zinc/15/53/91/601155391.db2.gz KLUSWYKEVPZPAW-ZHZWZMEUSA-N 0 1 279.767 3.508 20 0 CHADMN CC[N@@H+](C/C=C(\C)C(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000829692782 601158960 /nfs/dbraw/zinc/15/89/60/601158960.db2.gz PGXYHDJJNHANJO-SRXBQZRASA-N 0 1 287.359 3.847 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000827928810 601182486 /nfs/dbraw/zinc/18/24/86/601182486.db2.gz QVHYGLSBPUEFCO-GWCFXTLKSA-N 0 1 289.306 3.625 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000827928810 601182487 /nfs/dbraw/zinc/18/24/87/601182487.db2.gz QVHYGLSBPUEFCO-GWCFXTLKSA-N 0 1 289.306 3.625 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)C1CCCCCC1 ZINC000234282326 601615688 /nfs/dbraw/zinc/61/56/88/601615688.db2.gz GNPMLXKDAUIQRU-UHFFFAOYSA-N 0 1 279.355 3.679 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)[C@H]1c1ccccc1 ZINC000828455490 601647581 /nfs/dbraw/zinc/64/75/81/601647581.db2.gz DCTWZYADOHDEBM-SJKOYZFVSA-N 0 1 299.345 3.717 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000516300624 601804955 /nfs/dbraw/zinc/80/49/55/601804955.db2.gz GAKNEFGXPNLQIP-AWEZNQCLSA-N 0 1 287.384 3.783 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000829349571 604677337 /nfs/dbraw/zinc/67/73/37/604677337.db2.gz YRTGUDBYEPKJFC-CYBMUJFWSA-N 0 1 265.353 3.523 20 0 CHADMN CC(C)(c1ccnc(Cl)c1)N1C[C@H]2[C@H](CC2(F)F)C1 ZINC001164410483 718872126 /nfs/dbraw/zinc/87/21/26/718872126.db2.gz BTWMUNBFRREXGU-KOLCDFICSA-N 0 1 286.753 3.557 20 0 CHADMN CSc1ccc(Cl)cc1CN1CC2CC(C2)C1 ZINC001238680087 1131230414 /nfs/dbraw/zinc/23/04/14/1131230414.db2.gz ICKWYDOKQUOMQV-UHFFFAOYSA-N 0 1 267.825 3.904 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CCCC(=O)[O-])C(C)C ZINC000086748644 949062018 /nfs/dbraw/zinc/06/20/18/949062018.db2.gz GDSRLJPRISDPAO-OAHLLOKOSA-N 0 1 263.381 3.713 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094525638 949176783 /nfs/dbraw/zinc/17/67/83/949176783.db2.gz PWVPQABJWPYENC-CQSZACIVSA-N 0 1 287.403 3.641 20 0 CHADMN CC1(C)C[N@@H+](Cc2cc(C(=O)[O-])ccc2F)[C@@H]2CCC[C@@H]21 ZINC000378719075 971574506 /nfs/dbraw/zinc/57/45/06/971574506.db2.gz DURQSKFSSGNFEC-DZGCQCFKSA-N 0 1 291.366 3.534 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000164691617 949416756 /nfs/dbraw/zinc/41/67/56/949416756.db2.gz HXPPUAVUJRYMMC-OAHLLOKOSA-N 0 1 299.773 3.556 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000165675203 949435837 /nfs/dbraw/zinc/43/58/37/949435837.db2.gz JYXUSPBMJCNTAO-HNNXBMFYSA-N 0 1 299.773 3.556 20 0 CHADMN CCCC[N@@H+](CCCC(=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC001589647630 949745773 /nfs/dbraw/zinc/74/57/73/949745773.db2.gz FBDDJQHJFFBQMB-ZIAGYGMSSA-N 0 1 255.402 3.532 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1nc(-c2ccsc2)no1 ZINC000108918061 1125457004 /nfs/dbraw/zinc/45/70/04/1125457004.db2.gz LKSMIDSWOAQTPF-QWRGUYRKSA-N 0 1 277.393 3.561 20 0 CHADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cccc2ccccc21 ZINC000263477778 950481777 /nfs/dbraw/zinc/48/17/77/950481777.db2.gz FPOAJMFVAVECGP-XJKSGUPXSA-N 0 1 283.371 3.525 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1sccc1Cl ZINC000306092029 950595294 /nfs/dbraw/zinc/59/52/94/950595294.db2.gz MDRIQZYSMXEJPO-JTQLQIEISA-N 0 1 287.812 3.621 20 0 CHADMN CC(C)c1noc([C@H](C)N2CCCC(C)(C)CC2)n1 ZINC000126989831 1125458614 /nfs/dbraw/zinc/45/86/14/1125458614.db2.gz FYKZETGYSGXMQY-LBPRGKRZSA-N 0 1 265.401 3.766 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC000556919477 953586011 /nfs/dbraw/zinc/58/60/11/953586011.db2.gz XFSBJWMVXIHWKK-OAHLLOKOSA-N 0 1 287.403 3.641 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC000650794853 954030525 /nfs/dbraw/zinc/03/05/25/954030525.db2.gz IRJUOUIFCRFHAL-BXKDBHETSA-N 0 1 293.750 3.524 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC000650794853 954030542 /nfs/dbraw/zinc/03/05/42/954030542.db2.gz IRJUOUIFCRFHAL-BXKDBHETSA-N 0 1 293.750 3.524 20 0 CHADMN CC[N@@H+](CCCc1cccc2ccccc21)[C@@H](C)C(=O)[O-] ZINC000662214806 954382723 /nfs/dbraw/zinc/38/27/23/954382723.db2.gz GXXDKQMWLZTIAA-AWEZNQCLSA-N 0 1 285.387 3.567 20 0 CHADMN CC1(C)CCCC[C@@H]1C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000662212503 954383921 /nfs/dbraw/zinc/38/39/21/954383921.db2.gz BMKIMWBLLDAHDA-KGLIPLIRSA-N 0 1 267.413 3.532 20 0 CHADMN CC1(C)CCCC[C@@H]1C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000662212505 954384622 /nfs/dbraw/zinc/38/46/22/954384622.db2.gz BMKIMWBLLDAHDA-ZIAGYGMSSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001589011963 955389977 /nfs/dbraw/zinc/38/99/77/955389977.db2.gz BOCXXRPOTADIHG-UMVBOHGHSA-N 0 1 267.413 3.530 20 0 CHADMN Cc1cccc2nc(CN[C@@H](c3ccccc3)C3CC3)cn21 ZINC000128013516 1125464876 /nfs/dbraw/zinc/46/48/76/1125464876.db2.gz VFDBDHJEIAXTOY-IBGZPJMESA-N 0 1 291.398 3.884 20 0 CHADMN CCc1ccc2ccccc2c1C[N@H+](C)[C@@H](CC)C(=O)[O-] ZINC000903408136 956834523 /nfs/dbraw/zinc/83/45/23/956834523.db2.gz DUQMAJQNGFYKHE-KRWDZBQOSA-N 0 1 285.387 3.697 20 0 CHADMN CCC[C@H]1[C@H](C)CCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903695781 956882042 /nfs/dbraw/zinc/88/20/42/956882042.db2.gz IUEQSZFWJKPNHE-KGLIPLIRSA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC001204154746 957248319 /nfs/dbraw/zinc/24/83/19/957248319.db2.gz LZBUJBSNFMSWOZ-QGZVFWFLSA-N 0 1 281.355 3.722 20 0 CHADMN Cc1cc(C[N@H+](C)Cc2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000048880447 957468588 /nfs/dbraw/zinc/46/85/88/957468588.db2.gz CWBGOVPFMWGORZ-UHFFFAOYSA-N 0 1 293.750 3.572 20 0 CHADMN CC(C)[N@@H+](Cc1cccs1)Cc1ccc(C(=O)[O-])cc1 ZINC000049029888 957472414 /nfs/dbraw/zinc/47/24/14/957472414.db2.gz MTYKFPHMQANNIU-UHFFFAOYSA-N 0 1 289.400 3.857 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1ccoc1C(=O)[O-] ZINC000062015185 957597626 /nfs/dbraw/zinc/59/76/26/957597626.db2.gz LFQDENCYTMIGRY-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1ccoc1C(=O)[O-] ZINC000062015185 957597630 /nfs/dbraw/zinc/59/76/30/957597630.db2.gz LFQDENCYTMIGRY-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1F)C1CCCCCC1 ZINC000062752685 957608466 /nfs/dbraw/zinc/60/84/66/957608466.db2.gz JUOFICODYDNDQU-UHFFFAOYSA-N 0 1 279.355 3.679 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000079349640 957755549 /nfs/dbraw/zinc/75/55/49/957755549.db2.gz UVBBWAJNEXIUTK-HOTGVXAUSA-N 0 1 289.419 3.961 20 0 CHADMN O=C([O-])C[N@@H+](Cc1ccc2ccccc2c1)C1CCCC1 ZINC000086749079 957981780 /nfs/dbraw/zinc/98/17/80/957981780.db2.gz KJIPXBFBPVZJLJ-UHFFFAOYSA-N 0 1 283.371 3.669 20 0 CHADMN CC[N@@H+](Cc1cccs1)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000091781149 958152789 /nfs/dbraw/zinc/15/27/89/958152789.db2.gz VIZYZSMIIGBKQR-SNVBAGLBSA-N 0 1 279.361 3.622 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])cc1 ZINC000094904722 958321479 /nfs/dbraw/zinc/32/14/79/958321479.db2.gz KCWWVVPXAFMBAO-KRWDZBQOSA-N 0 1 289.419 3.714 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](CCCCc2ccccc2)C1 ZINC000122128535 958471422 /nfs/dbraw/zinc/47/14/22/958471422.db2.gz DDASSERSSZSGMJ-KRWDZBQOSA-N 0 1 289.419 3.586 20 0 CHADMN Cc1oc2ccccc2c1C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000124235092 958522760 /nfs/dbraw/zinc/52/27/60/958522760.db2.gz BJSZJTPGXXILAO-OAHLLOKOSA-N 0 1 287.359 3.570 20 0 CHADMN Cc1oc2ccccc2c1C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000124203427 958523105 /nfs/dbraw/zinc/52/31/05/958523105.db2.gz CYPSBQIASQQBFD-UHFFFAOYSA-N 0 1 287.359 3.570 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000160583017 959151197 /nfs/dbraw/zinc/15/11/97/959151197.db2.gz GQEVIFKZZSLGST-LBPRGKRZSA-N 0 1 281.421 3.623 20 0 CHADMN C[C@H]1C[C@@H]([N@H+]2CCC[C@@]2(C)C(=O)[O-])c2ccsc2S1 ZINC001594245331 959560376 /nfs/dbraw/zinc/56/03/76/959560376.db2.gz KRGDMSAJYJFAGG-PXWWUCIGSA-N 0 1 297.445 3.613 20 0 CHADMN Cc1c(C)c(C)c(C[N@H+]([C@H](C)C(=O)[O-])C2CC2)c(C)c1C ZINC001594259675 959685184 /nfs/dbraw/zinc/68/51/84/959685184.db2.gz TXEQPXAWRATCKN-OAHLLOKOSA-N 0 1 289.419 3.666 20 0 CHADMN Cc1cccc([C@H](C)[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000223498750 959835887 /nfs/dbraw/zinc/83/58/87/959835887.db2.gz FFXBXYKKGGXGNB-GOEBONIOSA-N 0 1 289.419 3.879 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001573736213 960438782 /nfs/dbraw/zinc/43/87/82/960438782.db2.gz RSRIJZDTDQJJBQ-SCVCMEIPSA-N 0 1 299.773 3.583 20 0 CHADMN CCn1nccc1CN(Cc1ccoc1)C1CCCCC1 ZINC000129277857 1125473142 /nfs/dbraw/zinc/47/31/42/1125473142.db2.gz NWXMRZFIOVWPJE-UHFFFAOYSA-N 0 1 287.407 3.831 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001140503791 960501332 /nfs/dbraw/zinc/50/13/32/960501332.db2.gz MUMUDLIBAJFWNN-AWEZNQCLSA-N 0 1 299.345 3.513 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001573750109 960551494 /nfs/dbraw/zinc/55/14/94/960551494.db2.gz ZLORGNPMFINEGN-VWYCJHECSA-N 0 1 299.773 3.583 20 0 CHADMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC001204156410 960602293 /nfs/dbraw/zinc/60/22/93/960602293.db2.gz BOABWQMSGVEARQ-SFHVURJKSA-N 0 1 295.382 3.894 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc1F ZINC000236477251 960660747 /nfs/dbraw/zinc/66/07/47/960660747.db2.gz MVTHTPNWQMJCKE-UONOGXRCSA-N 0 1 291.366 3.536 20 0 CHADMN Clc1cc2c(s1)CC[C@@H]2NCc1cccnc1 ZINC000129492894 1125474928 /nfs/dbraw/zinc/47/49/28/1125474928.db2.gz DXLQPLUBHBBBBI-NSHDSACASA-N 0 1 264.781 3.574 20 0 CHADMN CC(C)(C)SCCC[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC001588738909 961142002 /nfs/dbraw/zinc/14/20/02/961142002.db2.gz QVMCSRGKZSJPRG-ZDUSSCGKSA-N 0 1 287.469 3.628 20 0 CHADMN Cc1cnc([C@H](C)N(C)CCCCc2ccccc2)o1 ZINC000536587172 1125477439 /nfs/dbraw/zinc/47/74/39/1125477439.db2.gz QQAOEFOLUQMCAM-HNNXBMFYSA-N 0 1 272.392 3.999 20 0 CHADMN C[C@@H](CN[C@@H](C)c1nc(C(C)(C)C)no1)C(C)(C)C ZINC000670269959 1117853144 /nfs/dbraw/zinc/85/31/44/1117853144.db2.gz FLKVVIRQKFCZMI-QWRGUYRKSA-N 0 1 267.417 3.700 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@@H+](C)C(C)(C)CC(=O)[O-] ZINC001333135899 961650157 /nfs/dbraw/zinc/65/01/57/961650157.db2.gz GAHVNSIBPGSTER-CQSZACIVSA-N 0 1 269.429 3.944 20 0 CHADMN CCc1ccc2c(c1)CC[N@H+](Cc1cccc(C(=O)[O-])c1)C2 ZINC001573957147 961679400 /nfs/dbraw/zinc/67/94/00/961679400.db2.gz ZVEICSGEAHOCJZ-UHFFFAOYSA-N 0 1 295.382 3.506 20 0 CHADMN C[C@H](C1CC1)N(Cc1nc(-c2ccsc2)no1)C1CC1 ZINC000047908402 1125479150 /nfs/dbraw/zinc/47/91/50/1125479150.db2.gz VRMCXEBAGBZTFT-SNVBAGLBSA-N 0 1 289.404 3.561 20 0 CHADMN C[C@H](c1ccncc1)N(C)Cc1ccc(Cl)cc1 ZINC000111193055 1125480795 /nfs/dbraw/zinc/48/07/95/1125480795.db2.gz YCGYBPHVKWSMFX-GFCCVEGCSA-N 0 1 260.768 3.928 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cccc(OC(F)(F)F)c2)C1 ZINC001204428408 1117935328 /nfs/dbraw/zinc/93/53/28/1117935328.db2.gz FHLGCPQIWZFIRE-CYBMUJFWSA-N 0 1 291.288 3.909 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN(C)C1CCCC1 ZINC000048391314 1125482719 /nfs/dbraw/zinc/48/27/19/1125482719.db2.gz MPIXURBVLFVRJN-UHFFFAOYSA-N 0 1 270.376 3.533 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263432765 962608412 /nfs/dbraw/zinc/60/84/12/962608412.db2.gz SRSQAHCVDCITKT-HNNXBMFYSA-N 0 1 275.392 3.643 20 0 CHADMN CCCC[C@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1F ZINC000312040710 963530408 /nfs/dbraw/zinc/53/04/08/963530408.db2.gz WAVIRQKDKOBELP-NSHDSACASA-N 0 1 267.344 3.534 20 0 CHADMN Cc1ccc(CN(Cc2cnoc2C)C(C)C)s1 ZINC000181657129 1118003873 /nfs/dbraw/zinc/00/38/73/1118003873.db2.gz OMVKKXRTJDODHX-UHFFFAOYSA-N 0 1 264.394 3.764 20 0 CHADMN COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1Cl ZINC001204437457 1118026904 /nfs/dbraw/zinc/02/69/04/1118026904.db2.gz WKLNHFGZOCALPH-AWEZNQCLSA-N 0 1 285.790 3.869 20 0 CHADMN Cc1ccc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])c(C)c1 ZINC000086755128 967575088 /nfs/dbraw/zinc/57/50/88/967575088.db2.gz KTJQVDAOSBEVPD-INIZCTEOSA-N 0 1 275.392 3.523 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1ccsc1Cl ZINC000308353343 967928718 /nfs/dbraw/zinc/92/87/18/967928718.db2.gz VQTVMBSGQZDUST-LLVKDONJSA-N 0 1 287.812 3.621 20 0 CHADMN CC(C)c1nc(C[NH2+][C@H](CCC(C)(C)C)C(=O)[O-])cs1 ZINC001348538390 969766515 /nfs/dbraw/zinc/76/65/15/969766515.db2.gz YCGSCLRFEWKZJO-GFCCVEGCSA-N 0 1 298.452 3.636 20 0 CHADMN CC(C)c1nc(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])cs1 ZINC001348538391 969766609 /nfs/dbraw/zinc/76/66/09/969766609.db2.gz YCGSCLRFEWKZJO-LBPRGKRZSA-N 0 1 298.452 3.636 20 0 CHADMN Cc1ccccc1[C@@H](C)[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000317855861 970392103 /nfs/dbraw/zinc/39/21/03/970392103.db2.gz OEGOCDDRPDQOJI-CQSZACIVSA-N 0 1 295.382 3.813 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])CC(c1ccccc1)c1ccccc1 ZINC000318929991 970489331 /nfs/dbraw/zinc/48/93/31/970489331.db2.gz POANCPWVCSWQJT-UHFFFAOYSA-N 0 1 297.398 3.615 20 0 CHADMN C[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+]1CCCC(=O)[O-] ZINC001603342088 972745067 /nfs/dbraw/zinc/74/50/67/972745067.db2.gz WUOZSAHBSZFKQB-INIZCTEOSA-N 0 1 295.810 3.602 20 0 CHADMN CC(C)C[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1F ZINC000396949760 972953920 /nfs/dbraw/zinc/95/39/20/972953920.db2.gz NRBAWKWQUVIRBT-AWEZNQCLSA-N 0 1 279.355 3.534 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000401431948 973364960 /nfs/dbraw/zinc/36/49/60/973364960.db2.gz IJWVCQOURRUXIX-RBSFLKMASA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cscc1Cl ZINC001606123192 973365998 /nfs/dbraw/zinc/36/59/98/973365998.db2.gz ULIGETMBVCWCSO-NSHDSACASA-N 0 1 287.812 3.621 20 0 CHADMN C[N@H+](Cc1cccc(C(=O)[O-])c1Cl)C[C@@H]1CC=CCC1 ZINC000402603890 973630203 /nfs/dbraw/zinc/63/02/03/973630203.db2.gz QQYBHMYTBGOKOM-GFCCVEGCSA-N 0 1 293.794 3.826 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000404780074 973749447 /nfs/dbraw/zinc/74/94/47/973749447.db2.gz VNRFCWAMFKQAFU-STQMWFEESA-N 0 1 299.370 3.701 20 0 CHADMN CC(C)(CC[N@H+]1Cc2ccc(C(=O)[O-])cc2C1)C1CC1 ZINC000405947757 973911788 /nfs/dbraw/zinc/91/17/88/973911788.db2.gz DDYVMVLNGPUXEV-UHFFFAOYSA-N 0 1 273.376 3.527 20 0 CHADMN Cc1cc(C[NH2+][C@H](C(=O)[O-])c2cc(C)cc(C)c2)cs1 ZINC000417558622 973960630 /nfs/dbraw/zinc/96/06/30/973960630.db2.gz FXMCUXFAPRVFSZ-HNNXBMFYSA-N 0 1 289.400 3.589 20 0 CHADMN CC[C@H](C)[N@@H+](CCc1ccc2ccccc2c1)CC(=O)[O-] ZINC000442769364 974119445 /nfs/dbraw/zinc/11/94/45/974119445.db2.gz QBVNRLCONWKMPE-AWEZNQCLSA-N 0 1 285.387 3.567 20 0 CHADMN Cc1ccc(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccsc2)cc1C ZINC000515073088 974296312 /nfs/dbraw/zinc/29/63/12/974296312.db2.gz FHIDMTSAWYUVME-OAHLLOKOSA-N 0 1 289.400 3.623 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccsc2)cc1C ZINC000515073088 974296318 /nfs/dbraw/zinc/29/63/18/974296318.db2.gz FHIDMTSAWYUVME-OAHLLOKOSA-N 0 1 289.400 3.623 20 0 CHADMN FC1(F)CC[C@H](C[N@H+]2CCc3sccc3C2)C1 ZINC000340290344 1118134335 /nfs/dbraw/zinc/13/43/35/1118134335.db2.gz YSHWOQKMISAWOV-JTQLQIEISA-N 0 1 257.349 3.542 20 0 CHADMN O=C([O-])[C@]1(c2ccccc2)CC[N@@H+](CCC2=CCCCC2)C1 ZINC000519552235 974330693 /nfs/dbraw/zinc/33/06/93/974330693.db2.gz VDCCGVXPTSFGNP-LJQANCHMSA-N 0 1 299.414 3.605 20 0 CHADMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(Cl)c2ccccc12 ZINC000563725870 974538251 /nfs/dbraw/zinc/53/82/51/974538251.db2.gz WKXJQWZJPXCPRI-UHFFFAOYSA-N 0 1 291.778 3.788 20 0 CHADMN CC[N@@H+](Cc1ccccc1)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000565103018 974569485 /nfs/dbraw/zinc/56/94/85/974569485.db2.gz LEKZJKPRUHPJDJ-ZDUSSCGKSA-N 0 1 287.359 3.869 20 0 CHADMN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2csc(C(=O)[O-])c2)C1 ZINC000565105492 974572163 /nfs/dbraw/zinc/57/21/63/974572163.db2.gz MODQOZCZGCLLCM-NEPJUHHUSA-N 0 1 299.461 3.552 20 0 CHADMN Cc1c(C)c(C)c(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c(C)c1C ZINC000565112144 974574237 /nfs/dbraw/zinc/57/42/37/974574237.db2.gz WHJSDRIXAPBWDR-SFHVURJKSA-N 0 1 289.419 3.525 20 0 CHADMN O=C([O-])c1occc1C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000565663009 974586190 /nfs/dbraw/zinc/58/61/90/974586190.db2.gz VZHGOCMMVIIDOK-HLRDLLSLSA-N 0 1 297.354 3.656 20 0 CHADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000567359436 974633086 /nfs/dbraw/zinc/63/30/86/974633086.db2.gz VKGQZLDUZVDRAR-LRDDRELGSA-N 0 1 293.382 3.925 20 0 CHADMN O=C([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000568060988 974657091 /nfs/dbraw/zinc/65/70/91/974657091.db2.gz VVIHYSFCERGYNE-NHYWBVRUSA-N 0 1 293.794 3.803 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000568063682 974658449 /nfs/dbraw/zinc/65/84/49/974658449.db2.gz QZJXMOSPOKGQDX-HNNXBMFYSA-N 0 1 283.371 3.587 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(=O)[O-])c1Cl ZINC000568290705 974667208 /nfs/dbraw/zinc/66/72/08/974667208.db2.gz PHSCHNPKWSCJOQ-VGPLMAKISA-N 0 1 293.794 3.801 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000570219880 974707238 /nfs/dbraw/zinc/70/72/38/974707238.db2.gz PTTXVWCKLLDDIN-MBNYWOFBSA-N 0 1 291.391 3.693 20 0 CHADMN CC1(C)[C@H](c2ccccc2)CC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000570689030 974716425 /nfs/dbraw/zinc/71/64/25/974716425.db2.gz GTEIKOATIYXAJK-INIZCTEOSA-N 0 1 299.370 3.746 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc2ccccc21 ZINC000572249342 974744763 /nfs/dbraw/zinc/74/47/63/974744763.db2.gz FYNRUPAGWPSWSJ-KRWDZBQOSA-N 0 1 285.387 3.915 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000572250118 974744809 /nfs/dbraw/zinc/74/48/09/974744809.db2.gz HEJCCKQKSOWMKA-AWEZNQCLSA-N 0 1 297.398 3.833 20 0 CHADMN O=C([O-])C1(C[N@H+]2CCCCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000573571874 974768190 /nfs/dbraw/zinc/76/81/90/974768190.db2.gz HYNZOIXOAMMYFN-MQNTZWLQSA-N 0 1 299.414 3.809 20 0 CHADMN Cc1cc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)oc1C(=O)[O-] ZINC000573733743 974770708 /nfs/dbraw/zinc/77/07/08/974770708.db2.gz KBNOSBNTSJRXLM-LLVKDONJSA-N 0 1 291.322 3.618 20 0 CHADMN Cc1cc([C@@H](C)[N@@H+](C)CCc2cccs2)oc1C(=O)[O-] ZINC000580084969 974888468 /nfs/dbraw/zinc/88/84/68/974888468.db2.gz IFHHNXLPDOYIJG-LLVKDONJSA-N 0 1 293.388 3.583 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCCCC(=O)[O-])o1 ZINC000580319232 974891842 /nfs/dbraw/zinc/89/18/42/974891842.db2.gz BCPSUIXOZYHOAT-TZMCWYRMSA-N 0 1 279.380 3.616 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)CCC1CCCCC1 ZINC000580838238 974900748 /nfs/dbraw/zinc/90/07/48/974900748.db2.gz ABLNWLCTWLAAJG-LBPRGKRZSA-N 0 1 279.380 3.941 20 0 CHADMN CC(C)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000583504905 974941937 /nfs/dbraw/zinc/94/19/37/974941937.db2.gz JYMNONNESCXXIF-JTQLQIEISA-N 0 1 269.772 3.515 20 0 CHADMN CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000583504906 974942126 /nfs/dbraw/zinc/94/21/26/974942126.db2.gz JYMNONNESCXXIF-SNVBAGLBSA-N 0 1 269.772 3.515 20 0 CHADMN CC(C)[N@H+](Cc1csc(C(=O)[O-])c1)Cc1cccs1 ZINC000583999709 974948992 /nfs/dbraw/zinc/94/89/92/974948992.db2.gz WAMDZZDPESYVEU-UHFFFAOYSA-N 0 1 295.429 3.918 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000629362869 975083200 /nfs/dbraw/zinc/08/32/00/975083200.db2.gz YOHVQBKAHIQHPF-CQSZACIVSA-N 0 1 289.419 3.959 20 0 CHADMN C/C=C\C[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])sc2C)C1 ZINC000629375911 975089693 /nfs/dbraw/zinc/08/96/93/975089693.db2.gz PEIKMSCXYMCVNN-SCOBNMCVSA-N 0 1 293.432 3.933 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000629376695 975091138 /nfs/dbraw/zinc/09/11/38/975091138.db2.gz ZTQMIEFMWWQUQB-RWWVYYKTSA-N 0 1 291.366 3.630 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC3(CC3)CC2)cc1Cl ZINC000629378867 975091954 /nfs/dbraw/zinc/09/19/54/975091954.db2.gz XMNUNVVAPKZOPJ-UHFFFAOYSA-N 0 1 293.794 3.804 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)cs1 ZINC000634697978 975275935 /nfs/dbraw/zinc/27/59/35/975275935.db2.gz XPAXFQDDGHCYNY-CQSZACIVSA-N 0 1 293.432 3.849 20 0 CHADMN C[C@@H](c1ccco1)[N@H+](C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000652389239 975518586 /nfs/dbraw/zinc/51/85/86/975518586.db2.gz HAOSKLAMEXYUKC-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000652389239 975518592 /nfs/dbraw/zinc/51/85/92/975518592.db2.gz HAOSKLAMEXYUKC-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000652451166 975536159 /nfs/dbraw/zinc/53/61/59/975536159.db2.gz SQPCDYAREHLSJS-RRFJBIMHSA-N 0 1 281.440 3.634 20 0 CHADMN CCc1cccc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000652498659 975562340 /nfs/dbraw/zinc/56/23/40/975562340.db2.gz OYYFGPMDMLNXLF-INIZCTEOSA-N 0 1 289.419 3.572 20 0 CHADMN O=C([O-])[C@@H](c1ccsc1)[N@H+]1CCCC2(CCCC2)CC1 ZINC000656759011 975687074 /nfs/dbraw/zinc/68/70/74/975687074.db2.gz SUSPSUYLEVTFAF-CQSZACIVSA-N 0 1 293.432 3.920 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCCC(CC)(CC)C1 ZINC000656763049 975690164 /nfs/dbraw/zinc/69/01/64/975690164.db2.gz KQAMMNKUFYUNFA-UHFFFAOYSA-N 0 1 293.407 3.942 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2=CCCCC2)[C@@H]2CCCC[C@H]12 ZINC000656764325 975694321 /nfs/dbraw/zinc/69/43/21/975694321.db2.gz GBXFCCRXNKRSMA-BRWVUGGUSA-N 0 1 291.435 3.842 20 0 CHADMN CCC1(CC)CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000656764500 975695009 /nfs/dbraw/zinc/69/50/09/975695009.db2.gz YHMVBEWUYOYVCU-OAHLLOKOSA-N 0 1 275.392 3.715 20 0 CHADMN CCC(C)(C)c1ccc(C[N@@H+](C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC000659801810 975891793 /nfs/dbraw/zinc/89/17/93/975891793.db2.gz NNMWNZRQIVSRJX-FZNQNYSPSA-N 0 1 289.419 3.669 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H](C3CCC3)C2)c(F)c1 ZINC000659800795 975892652 /nfs/dbraw/zinc/89/26/52/975892652.db2.gz BJGZOPWIYHFDQN-AWEZNQCLSA-N 0 1 291.366 3.536 20 0 CHADMN Cc1cc([C@H](C)[N@H+]2CCC[C@H](C3CCC3)C2)oc1C(=O)[O-] ZINC000659802279 975892663 /nfs/dbraw/zinc/89/26/63/975892663.db2.gz QFYVCTJPNATORL-JSGCOSHPSA-N 0 1 291.391 3.859 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCCC[C@@H]2CC2CCC2)c1 ZINC000659804436 975895099 /nfs/dbraw/zinc/89/50/99/975895099.db2.gz ZSGBFZCRAQRKBL-CQSZACIVSA-N 0 1 277.364 3.523 20 0 CHADMN CC1(C)CCCC[C@@H]1C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000662211034 975899305 /nfs/dbraw/zinc/89/93/05/975899305.db2.gz LQBXEEUDVXQXEA-HUUCEWRRSA-N 0 1 281.440 3.780 20 0 CHADMN CC(C)c1[nH]c(C[N@H+]2CC[C@H](C(C)(C)C)C2)cc1C(=O)[O-] ZINC001591913104 976354685 /nfs/dbraw/zinc/35/46/85/976354685.db2.gz XKBXYOYKJHBBMR-LBPRGKRZSA-N 0 1 292.423 3.704 20 0 CHADMN CC1(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)CCCC1 ZINC000701252737 976999337 /nfs/dbraw/zinc/99/93/37/976999337.db2.gz IFWZYUKTCDXYNW-UHFFFAOYSA-N 0 1 275.392 3.544 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H](C(C)(C)C)C2)oc1C(=O)[O-] ZINC000708557502 977437440 /nfs/dbraw/zinc/43/74/40/977437440.db2.gz YWAYAGSOXQFPEC-LBPRGKRZSA-N 0 1 279.380 3.544 20 0 CHADMN CCc1nc([C@H](C)N[C@@H]2CC[C@H](C)SC2)cs1 ZINC000655712063 1118189759 /nfs/dbraw/zinc/18/97/59/1118189759.db2.gz OBCBSRNPFMLBLJ-GARJFASQSA-N 0 1 270.467 3.640 20 0 CHADMN COc1ccc(CNCc2ccsc2Cl)cc1 ZINC000312566531 1118245421 /nfs/dbraw/zinc/24/54/21/1118245421.db2.gz XJEKTBYKWFUKNG-UHFFFAOYSA-N 0 1 267.781 3.700 20 0 CHADMN C[C@H](C[N@@H+](C)C[C@H]1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC001592583127 978495630 /nfs/dbraw/zinc/49/56/30/978495630.db2.gz LOOFBFMUIQSRJD-OIISXLGYSA-N 0 1 289.419 3.613 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccc2oc3ccccc3c2c1)C(=O)[O-] ZINC001592584948 978504460 /nfs/dbraw/zinc/50/44/60/978504460.db2.gz RDRWWLYGJFBHMQ-GFCCVEGCSA-N 0 1 297.354 3.739 20 0 CHADMN CC(C)C(C[N@@H+](CCc1ccccc1)CC(=O)[O-])C(C)C ZINC000840995268 979294614 /nfs/dbraw/zinc/29/46/14/979294614.db2.gz ZLXIIMXXDRNBCR-UHFFFAOYSA-N 0 1 291.435 3.544 20 0 CHADMN Cc1oc(C[N@H+](C)C2CCCCCCC2)cc1C(=O)[O-] ZINC000846244713 979421021 /nfs/dbraw/zinc/42/10/21/979421021.db2.gz XSLNFOHFGCBITI-UHFFFAOYSA-N 0 1 279.380 3.831 20 0 CHADMN CC[C@@H](C[N@@H+](CC)C/C=C(/C)C(=O)[O-])c1ccccc1 ZINC000846253365 979425643 /nfs/dbraw/zinc/42/56/43/979425643.db2.gz BJAVIZQGPAGFMK-SZGZABIGSA-N 0 1 275.392 3.533 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1ccccc1CC(=O)[O-] ZINC000846255737 979428202 /nfs/dbraw/zinc/42/82/02/979428202.db2.gz QSQUZIKFYIHRIF-YOEHRIQHSA-N 0 1 289.419 3.714 20 0 CHADMN CC1(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000683827111 1118394206 /nfs/dbraw/zinc/39/42/06/1118394206.db2.gz KJTAUADXJRBEPT-DTORHVGOSA-N 0 1 289.263 3.849 20 0 CHADMN CC(F)(F)c1ccc(CNc2cc(C(=O)[O-])cc[nH+]2)cc1 ZINC001592945313 980026144 /nfs/dbraw/zinc/02/61/44/980026144.db2.gz XWEPQWAODNSOBZ-UHFFFAOYSA-N 0 1 292.285 3.504 20 0 CHADMN Cc1ccc(C[N@H+]2CCCC[C@@H]2C2CCC2)cc1C(=O)[O-] ZINC000872159399 980044025 /nfs/dbraw/zinc/04/40/25/980044025.db2.gz SWDCPGJDEFNJLO-QGZVFWFLSA-N 0 1 287.403 3.848 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000872161059 980048912 /nfs/dbraw/zinc/04/89/12/980048912.db2.gz RONAJQPBUSTAEV-LJQANCHMSA-N 0 1 297.398 3.753 20 0 CHADMN C[C@H](C[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1)C(C)(C)C ZINC000872161642 980051337 /nfs/dbraw/zinc/05/13/37/980051337.db2.gz WQBKCZVOPJAAPZ-LLVKDONJSA-N 0 1 293.382 3.564 20 0 CHADMN CC(C)(C)CC[N@@H+](CCCC(=O)[O-])CCc1ccccc1 ZINC000880573808 980204556 /nfs/dbraw/zinc/20/45/56/980204556.db2.gz MSMGIKPALYTNHW-UHFFFAOYSA-N 0 1 291.435 3.832 20 0 CHADMN O=C([O-])c1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)cc1 ZINC000883519532 980206701 /nfs/dbraw/zinc/20/67/01/980206701.db2.gz UUABMOHALXCJDB-SJORKVTESA-N 0 1 299.345 3.500 20 0 CHADMN CC(C)C[N@H+](CC(=O)[O-])C[C@H](C)CC1CCCCC1 ZINC000901588867 980394421 /nfs/dbraw/zinc/39/44/21/980394421.db2.gz JNXPLVSMXBNWHV-CQSZACIVSA-N 0 1 269.429 3.636 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1C[N@@H+](CCC(=O)[O-])CC(C)C ZINC000901592229 980397569 /nfs/dbraw/zinc/39/75/69/980397569.db2.gz BTKPPDYBHZLJSP-HUUCEWRRSA-N 0 1 269.429 3.636 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@@H]1CCCC(C)(C)C1 ZINC000901593999 980398461 /nfs/dbraw/zinc/39/84/61/980398461.db2.gz VTUHMLBMARVSJO-CQSZACIVSA-N 0 1 269.429 3.636 20 0 CHADMN C[C@@H](CC[N@H+]1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000901647241 980425043 /nfs/dbraw/zinc/42/50/43/980425043.db2.gz ZFEOWEDYHQLVPR-AWEZNQCLSA-N 0 1 295.382 3.894 20 0 CHADMN C[C@@H]1CCC[C@H](C[N@H+]2CCc3cc(C(=O)[O-])ccc3C2)C1 ZINC000901668375 980435086 /nfs/dbraw/zinc/43/50/86/980435086.db2.gz DNKBPYFZYODBBC-KGLIPLIRSA-N 0 1 287.403 3.569 20 0 CHADMN CC1=CCC[C@@H](C)[C@H]1C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000901744126 980473589 /nfs/dbraw/zinc/47/35/89/980473589.db2.gz BMTPZKWESBYAGE-KDOFPFPSSA-N 0 1 299.414 3.735 20 0 CHADMN Cc1cc(C)cc(C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-])c1 ZINC000901841181 980559904 /nfs/dbraw/zinc/55/99/04/980559904.db2.gz TUHVGHDXRNEPPG-UHFFFAOYSA-N 0 1 291.435 3.872 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000901965989 980654373 /nfs/dbraw/zinc/65/43/73/980654373.db2.gz AHPMCHQKVJXJAF-LSDHHAIUSA-N 0 1 267.413 3.698 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])CCc1ccc(C(C)(C)C)cc1 ZINC000901979027 980659820 /nfs/dbraw/zinc/65/98/20/980659820.db2.gz QMMFKXCIVPOQHK-UHFFFAOYSA-N 0 1 291.435 3.712 20 0 CHADMN Cc1cc(C)c(/C=C\C[N@H+](CCC(=O)[O-])C(C)C)c(C)c1 ZINC000901980233 980659911 /nfs/dbraw/zinc/65/99/11/980659911.db2.gz JYKUGVREJRQDOJ-SREVYHEPSA-N 0 1 289.419 3.810 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(F)c2ccccc12 ZINC000901990032 980669611 /nfs/dbraw/zinc/66/96/11/980669611.db2.gz VFZHUMBBIAOWEJ-GFCCVEGCSA-N 0 1 289.350 3.664 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000902006433 980683858 /nfs/dbraw/zinc/68/38/58/980683858.db2.gz GOTIMPZYDWMGLG-HIFRSBDPSA-N 0 1 267.413 3.532 20 0 CHADMN CCCC[N@@H+](C)Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000902050493 980713935 /nfs/dbraw/zinc/71/39/35/980713935.db2.gz PSVYXPOCSKHSQL-UHFFFAOYSA-N 0 1 287.359 3.877 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CC)Cc1occc1C(=O)[O-] ZINC001595363503 980783139 /nfs/dbraw/zinc/78/31/39/980783139.db2.gz GUCUCBSZDVCEQF-OAHLLOKOSA-N 0 1 287.359 3.951 20 0 CHADMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902524868 980921047 /nfs/dbraw/zinc/92/10/47/980921047.db2.gz QHAWZIGTFHKWCW-QWHCGFSZSA-N 0 1 298.386 3.553 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000902531498 980923776 /nfs/dbraw/zinc/92/37/76/980923776.db2.gz UITDWCLFMFAZJA-WFASDCNBSA-N 0 1 293.382 3.710 20 0 CHADMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000902545208 980927850 /nfs/dbraw/zinc/92/78/50/980927850.db2.gz GNYUJNQNIXEJKV-HZMBPMFUSA-N 0 1 281.783 3.659 20 0 CHADMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902545586 980928319 /nfs/dbraw/zinc/92/83/19/980928319.db2.gz IWVHFMCDKJBKKK-LRDDRELGSA-N 0 1 298.386 3.553 20 0 CHADMN C[C@H](C1CCCCC1)[N@@H+](C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902546317 980928829 /nfs/dbraw/zinc/92/88/29/980928829.db2.gz UELFJTPQROVOGA-OCHBPSSRSA-N 0 1 291.391 3.778 20 0 CHADMN CS[C@@H](C)CNCc1csc(-c2cccs2)n1 ZINC000128136387 1118581241 /nfs/dbraw/zinc/58/12/41/1118581241.db2.gz UKLSQNJFDDSFPN-VIFPVBQESA-N 0 1 284.475 3.713 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccccc1CC(C)C ZINC000903401361 980958492 /nfs/dbraw/zinc/95/84/92/980958492.db2.gz KJDIBWUVYGKMKJ-CQSZACIVSA-N 0 1 277.408 3.570 20 0 CHADMN CCc1ccc2ccccc2c1C[N@@H+](CC(=O)[O-])C(C)C ZINC000903405973 980959204 /nfs/dbraw/zinc/95/92/04/980959204.db2.gz YUNHECAVCWKKBJ-UHFFFAOYSA-N 0 1 285.387 3.697 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CCc1cccc2ccccc21 ZINC000903594835 980978591 /nfs/dbraw/zinc/97/85/91/980978591.db2.gz HHXJAXUWNSUOIW-KDOFPFPSSA-N 0 1 299.414 3.813 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc2ccccc21 ZINC000903596954 980979740 /nfs/dbraw/zinc/97/97/40/980979740.db2.gz YMXCPCFNCIERGY-CXAGYDPISA-N 0 1 285.387 3.771 20 0 CHADMN CCC(CC)CCC[N@H+](C)[C@@H](C(=O)[O-])[C@@H](C)CC ZINC000903605641 980986832 /nfs/dbraw/zinc/98/68/32/980986832.db2.gz CAZGZTMRFYCOEI-GXTWGEPZSA-N 0 1 257.418 3.634 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC23CCC3)cc1Cl ZINC000903631288 981008032 /nfs/dbraw/zinc/00/80/32/981008032.db2.gz MDKAZUQJRAIPDA-UHFFFAOYSA-N 0 1 279.767 3.557 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])c2cccnc12)C1CCCC1 ZINC000903886267 981020763 /nfs/dbraw/zinc/02/07/63/981020763.db2.gz CICXZMBYGSOZKU-UHFFFAOYSA-N 0 1 298.386 3.698 20 0 CHADMN O=C([O-])C[N@@H+](C[C@H]1CC2CCC1CC2)C1CCCCC1 ZINC000903902043 981028976 /nfs/dbraw/zinc/02/89/76/981028976.db2.gz TYJVQCHQIWTTDR-YMAMQOFZSA-N 0 1 279.424 3.532 20 0 CHADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000903902045 981029170 /nfs/dbraw/zinc/02/91/70/981029170.db2.gz UASIKTQWUPZGBZ-OAHLLOKOSA-N 0 1 293.451 3.780 20 0 CHADMN FC(F)O[C@H]1CCCN(CCc2cccc(Cl)c2)C1 ZINC000656534221 1118585697 /nfs/dbraw/zinc/58/56/97/1118585697.db2.gz NFGSZFVPQDEYGO-ZDUSSCGKSA-N 0 1 289.753 3.586 20 0 CHADMN CCCC1(CCC)CCC[N@H+]1Cc1cncc(C(=O)[O-])c1 ZINC001595617446 981653666 /nfs/dbraw/zinc/65/36/66/981653666.db2.gz LZHVGOMOZDYIRY-UHFFFAOYSA-N 0 1 290.407 3.715 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC001595629035 981794685 /nfs/dbraw/zinc/79/46/85/981794685.db2.gz USQQBKALCPFNDG-WCQYABFASA-N 0 1 281.421 3.774 20 0 CHADMN CC[C@](C)(C(=O)[O-])[N@H+](Cc1ccc(Cl)cc1)CC1CC1 ZINC001594787596 981824488 /nfs/dbraw/zinc/82/44/88/981824488.db2.gz ISUIIBZBCBFLHW-MRXNPFEDSA-N 0 1 295.810 3.805 20 0 CHADMN CCCC[C@@H](C)[N@@H+](CCCC)Cc1ccc(C(=O)[O-])[nH]1 ZINC001595631948 981846933 /nfs/dbraw/zinc/84/69/33/981846933.db2.gz LLAAXRKYCMTNCI-CYBMUJFWSA-N 0 1 280.412 3.894 20 0 CHADMN CCC[N@@H+](C)Cc1sccc1NC(=O)OC(C)(C)C ZINC000891577955 1118713191 /nfs/dbraw/zinc/71/31/91/1118713191.db2.gz HYIKHSKCJHOFHM-UHFFFAOYSA-N 0 1 284.425 3.937 20 0 CHADMN CC(C)(C)c1nc(CSc2ccccc2F)n[nH]1 ZINC000430988268 1118805910 /nfs/dbraw/zinc/80/59/10/1118805910.db2.gz KNBSXNMSPFKJAC-UHFFFAOYSA-N 0 1 265.357 3.534 20 0 CHADMN CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC001594931934 982573249 /nfs/dbraw/zinc/57/32/49/982573249.db2.gz ZRMPACORTNPBTL-AAEUAGOBSA-N 0 1 281.421 3.847 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(C)o2)c(C)c1 ZINC000537959204 1118938428 /nfs/dbraw/zinc/93/84/28/1118938428.db2.gz YCFUPLORSRUEIX-CYBMUJFWSA-N 0 1 259.349 3.756 20 0 CHADMN CCC[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC001595885719 982908264 /nfs/dbraw/zinc/90/82/64/982908264.db2.gz CRODWKSSOQIUOX-QGZVFWFLSA-N 0 1 298.386 3.612 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(Cl)cc2C)CCS1 ZINC001167499506 1118929298 /nfs/dbraw/zinc/92/92/98/1118929298.db2.gz JXNJCVRBPOOUKC-CQSZACIVSA-N 0 1 269.841 3.976 20 0 CHADMN CCC[N@@H+](Cc1ccc(/C=C/C(=O)[O-])o1)Cc1ccccc1 ZINC001595899136 982948574 /nfs/dbraw/zinc/94/85/74/982948574.db2.gz FIJFOFAOPZVFOW-ZHACJKMWSA-N 0 1 299.370 3.790 20 0 CHADMN Cc1csc(CN2CC[C@H](Cc3ccc(F)cc3)C2)n1 ZINC000130913176 1125486265 /nfs/dbraw/zinc/48/62/65/1125486265.db2.gz AIWGEOVFDXQKFV-CQSZACIVSA-N 0 1 290.407 3.655 20 0 CHADMN CCCC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000048806715 1125486566 /nfs/dbraw/zinc/48/65/66/1125486566.db2.gz CJFLZYGJVJANLT-UHFFFAOYSA-N 0 1 269.304 3.562 20 0 CHADMN CC[C@@H]1C[C@H](N[C@H](C)c2c(F)cccc2Cl)CO1 ZINC000657385372 1119046430 /nfs/dbraw/zinc/04/64/30/1119046430.db2.gz VBQYXMSPKNJXOT-OUAUKWLOSA-N 0 1 271.763 3.697 20 0 CHADMN CC(C)Oc1ccc(CN[C@@H](C)c2ccccc2F)cn1 ZINC000112529478 1125487811 /nfs/dbraw/zinc/48/78/11/1125487811.db2.gz CJJYRHBBORCMDN-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN CC[N@@H+](CCC1C[C@H](C)C[C@@H](C)C1)C(C)(C)C(=O)[O-] ZINC001596321258 983754003 /nfs/dbraw/zinc/75/40/03/983754003.db2.gz ITZZSZPFKLIWPJ-CHWSQXEVSA-N 0 1 269.429 3.634 20 0 CHADMN CC[N@@H+](Cc1cc(C(=O)[O-])sc1C)C1CC(C)(C)C1 ZINC001596356717 983826854 /nfs/dbraw/zinc/82/68/54/983826854.db2.gz ZAYVHFRYSBJRNU-UHFFFAOYSA-N 0 1 281.421 3.765 20 0 CHADMN CC[N@@H+](Cc1csc(C(=O)[O-])c1)[C@H]1CCCC[C@@H]1C ZINC001596377562 983887350 /nfs/dbraw/zinc/88/73/50/983887350.db2.gz FAKZJTGFOGXDRZ-AAEUAGOBSA-N 0 1 281.421 3.847 20 0 CHADMN Cc1nnc([C@@H](C)Sc2nc3ccc(Cl)cc3[nH]2)o1 ZINC000048986614 1125489107 /nfs/dbraw/zinc/48/91/07/1125489107.db2.gz RLODPOPWVIUVTN-ZCFIWIBFSA-N 0 1 294.767 3.761 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000131183604 1125489629 /nfs/dbraw/zinc/48/96/29/1125489629.db2.gz XBUXJHFNNXPNBY-JTQLQIEISA-N 0 1 292.329 3.850 20 0 CHADMN CC(C)[C@@H](C)N[C@@H](c1nccs1)c1ccccc1 ZINC000123148685 1119292122 /nfs/dbraw/zinc/29/21/22/1119292122.db2.gz RGMYIBWKAVUPKD-TZMCWYRMSA-N 0 1 260.406 3.867 20 0 CHADMN C/C(=C\c1ccccc1)C[N@H+](C)Cc1occc1C(=O)[O-] ZINC001589003901 984957983 /nfs/dbraw/zinc/95/79/83/984957983.db2.gz PUOKKGJVNRPIKJ-JLHYYAGUSA-N 0 1 285.343 3.513 20 0 CHADMN Cc1cccc(NCCc2csc(C(C)(C)C)n2)n1 ZINC000158288593 1119441744 /nfs/dbraw/zinc/44/17/44/1119441744.db2.gz MJTZVXOAFPRHPL-UHFFFAOYSA-N 0 1 275.421 3.799 20 0 CHADMN CO[C@H](C)c1nc(CN(C)C[C@H]2CC=CCC2)cs1 ZINC000091868075 1119560181 /nfs/dbraw/zinc/56/01/81/1119560181.db2.gz BTWRDGVUCXWCGA-OLZOCXBDSA-N 0 1 280.437 3.639 20 0 CHADMN CCOC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(C)C ZINC000189351516 1119592041 /nfs/dbraw/zinc/59/20/41/1119592041.db2.gz AKUAINPTPIFVRX-FZMZJTMJSA-N 0 1 285.815 3.757 20 0 CHADMN CCS[C@@H]1CC[C@@H](N(C)Cc2nc3ccccc3[nH]2)C1 ZINC000131928358 1125497063 /nfs/dbraw/zinc/49/70/63/1125497063.db2.gz DQJUZPBNHUNILE-CHWSQXEVSA-N 0 1 289.448 3.669 20 0 CHADMN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cc(C(C)(C)C)on2)C1 ZINC000685574990 1119634579 /nfs/dbraw/zinc/63/45/79/1119634579.db2.gz WQWOBTRQUDWRNX-AGIUHOORSA-N 0 1 264.413 3.839 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](Cc1cccc(C(C)(C)C)c1)C1CCC1 ZINC001589487172 987043813 /nfs/dbraw/zinc/04/38/13/987043813.db2.gz SSADEFAWDBHQJX-CYBMUJFWSA-N 0 1 289.419 3.812 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(C)c2)C1 ZINC001594686516 987067514 /nfs/dbraw/zinc/06/75/14/987067514.db2.gz XKGUVTJCXGLXMM-ABCZVMIZSA-N 0 1 287.403 3.871 20 0 CHADMN Clc1ccc2c(c1)[C@H](NCc1ccoc1)CCCO2 ZINC000359873711 1125498862 /nfs/dbraw/zinc/49/88/62/1125498862.db2.gz QDDUKIOWKKAMMK-CQSZACIVSA-N 0 1 277.751 3.937 20 0 CHADMN CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])c(C)c1 ZINC001597259309 987279922 /nfs/dbraw/zinc/27/99/22/987279922.db2.gz PMWJLAUDMNULEV-CYBMUJFWSA-N 0 1 295.448 3.657 20 0 CHADMN CCc1[nH]c(C[N@H+](C)[C@@H]2CCCC[C@H]2CC)cc1C(=O)[O-] ZINC001597380222 987570163 /nfs/dbraw/zinc/57/01/63/987570163.db2.gz AWCWSIMVFWOHQE-MLGOLLRUSA-N 0 1 292.423 3.676 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)N1CCC[C@@](C)(O)CC1 ZINC000375928020 1119788458 /nfs/dbraw/zinc/78/84/58/1119788458.db2.gz PIYUELWPVVFNDE-XHDPSFHLSA-N 0 1 285.790 3.777 20 0 CHADMN C[C@]1(CN[C@H]2COCc3cccc(Cl)c32)CC1(F)F ZINC000926706140 1119831918 /nfs/dbraw/zinc/83/19/18/1119831918.db2.gz RYXNRNZJDJLVLM-WCQYABFASA-N 0 1 287.737 3.546 20 0 CHADMN CC(C)CCN(C)CC(=O)Nc1cccc(C(C)C)c1 ZINC000613502118 1119944786 /nfs/dbraw/zinc/94/47/86/1119944786.db2.gz BIEVIICSQUCHFI-UHFFFAOYSA-N 0 1 276.424 3.726 20 0 CHADMN CCOc1ccc([C@H](C)NCc2ccoc2C)cc1OC ZINC000414263111 1119959438 /nfs/dbraw/zinc/95/94/38/1119959438.db2.gz JCCPSZSECQFXEU-LBPRGKRZSA-N 0 1 289.375 3.846 20 0 CHADMN CC(C)(CC[N@H+]1CC(C)(C)[C@@H]1c1ccccc1)C(=O)[O-] ZINC001590670537 990372039 /nfs/dbraw/zinc/37/20/39/990372039.db2.gz FPZODDSTMPRPII-AWEZNQCLSA-N 0 1 275.392 3.570 20 0 CHADMN CC(C)[C@@H]1C[N@@H+]([C@H](C)c2ncc(C(=O)[O-])s2)[C@@H]1C(C)C ZINC001591093366 991657552 /nfs/dbraw/zinc/65/75/52/991657552.db2.gz RHQXABRNOBBBRB-NTZNESFSSA-N 0 1 296.436 3.515 20 0 CHADMN CC(C)[C@@H]1[C@@H](C(C)C)C[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC001591096168 991685679 /nfs/dbraw/zinc/68/56/79/991685679.db2.gz BCXBRIAVWCHPLI-GDBMZVCRSA-N 0 1 293.382 3.636 20 0 CHADMN CC(C)[C@H]1C[N@@H+](Cc2csc(C(=O)[O-])c2)[C@H]1C(C)C ZINC001591096744 991692905 /nfs/dbraw/zinc/69/29/05/991692905.db2.gz QYJBTHYFMNRZLU-OCCSQVGLSA-N 0 1 281.421 3.559 20 0 CHADMN CC[C@@H](C)Sc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000303915430 1120188838 /nfs/dbraw/zinc/18/88/38/1120188838.db2.gz NSQXIZIXQNIRCW-SSDOTTSWSA-N 0 1 269.320 3.641 20 0 CHADMN CC(C)C[C@]1(C)CCC[N@H+]1C[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001591192090 992006230 /nfs/dbraw/zinc/00/62/30/992006230.db2.gz LNUGPUIXLGRQBC-VYDXJSESSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)C[C@H]1CCC[N@H+]([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001591207619 992042798 /nfs/dbraw/zinc/04/27/98/992042798.db2.gz STJDKDMEFPPZKA-NWDGAFQWSA-N 0 1 296.436 3.660 20 0 CHADMN CC(C)CCCC[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001591236697 992118910 /nfs/dbraw/zinc/11/89/10/992118910.db2.gz LYKMJKNMRGKUTM-UHFFFAOYSA-N 0 1 293.382 3.708 20 0 CHADMN C[C@H](N[C@@H](C)c1cncc(F)c1)c1cccs1 ZINC000178177111 1120226205 /nfs/dbraw/zinc/22/62/05/1120226205.db2.gz GDRRILNWXCGXHT-UWVGGRQHSA-N 0 1 250.342 3.694 20 0 CHADMN CCCCc1noc(CN2CCCC[C@@H]2CCC)n1 ZINC000179521867 1120249560 /nfs/dbraw/zinc/24/95/60/1120249560.db2.gz QTZIDSAOLCJYDR-ZDUSSCGKSA-N 0 1 265.401 3.567 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@@H](C3CCCCC3)C2)s1 ZINC000661577941 1120255905 /nfs/dbraw/zinc/25/59/05/1120255905.db2.gz GYRGZDGBHFXOEE-SMDDNHRTSA-N 0 1 279.453 3.810 20 0 CHADMN CC(C)[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)[C@H](C)c1ccsc1 ZINC001591596844 992825183 /nfs/dbraw/zinc/82/51/83/992825183.db2.gz QODPOKCBGLGFIT-LLVKDONJSA-N 0 1 292.404 3.746 20 0 CHADMN CCO[C@H](C)c1nc(CN(C)CC2CC=CC2)cs1 ZINC000659958637 1120310215 /nfs/dbraw/zinc/31/02/15/1120310215.db2.gz BTKYMZAABQFSNL-GFCCVEGCSA-N 0 1 280.437 3.639 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2cc(F)ccc2F)CC1 ZINC000108391669 1120314876 /nfs/dbraw/zinc/31/48/76/1120314876.db2.gz MELYNSAHQONAGD-OAHLLOKOSA-N 0 1 283.362 3.746 20 0 CHADMN C[C@@H]([NH2+][C@@H](C)c1ccc(C(=O)[O-])o1)c1cccc(F)c1F ZINC001593197380 994162771 /nfs/dbraw/zinc/16/27/71/994162771.db2.gz JSBLSTXKPPEFOR-BDAKNGLRSA-N 0 1 295.285 3.668 20 0 CHADMN C[C@H]([NH2+]Cc1ccc(Cl)cc1F)c1cc(C(=O)[O-])co1 ZINC001593297909 994708784 /nfs/dbraw/zinc/70/87/84/994708784.db2.gz BZPLEPWPWXNTMT-QMMMGPOBSA-N 0 1 297.713 3.621 20 0 CHADMN CO[C@H](CN[C@@H](C)c1nc(C)cs1)C1CCCCC1 ZINC000660266147 1120474029 /nfs/dbraw/zinc/47/40/29/1120474029.db2.gz NRTDGWSIFITTBP-GXTWGEPZSA-N 0 1 282.453 3.697 20 0 CHADMN CC[C@H](Cc1ccccc1)N[C@H]1CCCC1(F)F ZINC000397991378 1120543268 /nfs/dbraw/zinc/54/32/68/1120543268.db2.gz AUXZJDMEPBYEPV-KGLIPLIRSA-N 0 1 253.336 3.785 20 0 CHADMN CC(C)(/C=C\Cl)NCc1cnc([C@@H]2CCCO2)s1 ZINC000922647456 1120570906 /nfs/dbraw/zinc/57/09/06/1120570906.db2.gz CIBJFJLUFDRDNL-GZTOBOFZSA-N 0 1 286.828 3.615 20 0 CHADMN CC1(C)CCC(C)(C)[N@@H+](C[C@@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001593874651 996691500 /nfs/dbraw/zinc/69/15/00/996691500.db2.gz XLEAMSWGFIZGHJ-UONOGXRCSA-N 0 1 281.440 3.778 20 0 CHADMN Cc1cc(S(=O)(=O)Nc2cc(C)cc(F)c2)c(C)s1 ZINC000432211170 1120690508 /nfs/dbraw/zinc/69/05/08/1120690508.db2.gz UTTVJXTTWLMHIQ-UHFFFAOYSA-N 0 1 299.392 3.613 20 0 CHADMN C[C@H](NCC/C=C/c1ccccc1)c1cscn1 ZINC000661414095 1120763516 /nfs/dbraw/zinc/76/35/16/1120763516.db2.gz KBQWVIQMEFHBAT-NEXMIYJRSA-N 0 1 258.390 3.897 20 0 CHADMN Fc1cccc(F)c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000511891827 1120777665 /nfs/dbraw/zinc/77/76/65/1120777665.db2.gz RBQZNJKCEYXYRO-ABAIWWIYSA-N 0 1 251.320 3.729 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@H]2CCC[C@@H]21 ZINC000511891827 1120777666 /nfs/dbraw/zinc/77/76/66/1120777666.db2.gz RBQZNJKCEYXYRO-ABAIWWIYSA-N 0 1 251.320 3.729 20 0 CHADMN CCc1nnc([C@@H](C)N2CCCC(CC)(CC)C2)o1 ZINC000661675174 1120792633 /nfs/dbraw/zinc/79/26/33/1120792633.db2.gz UQBFXTGLZUJFAM-GFCCVEGCSA-N 0 1 265.401 3.595 20 0 CHADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001594166708 998634550 /nfs/dbraw/zinc/63/45/50/998634550.db2.gz ARXBQFKNXDIXBI-MLGOLLRUSA-N 0 1 299.414 3.736 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1cccc(F)c1Cl ZINC001594211073 998821441 /nfs/dbraw/zinc/82/14/41/998821441.db2.gz YQSQVKDFWLGEDP-PEGIJTEDSA-N 0 1 299.773 3.553 20 0 CHADMN C[C@H]1CC(CC[N@H+]2CCCCC[C@@H]2C(=O)[O-])C[C@H](C)C1 ZINC001594222840 998858459 /nfs/dbraw/zinc/85/84/59/998858459.db2.gz JNDHRLTZTOCVTQ-IIAWOOMASA-N 0 1 281.440 3.778 20 0 CHADMN C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)C1 ZINC001594345374 999306883 /nfs/dbraw/zinc/30/68/83/999306883.db2.gz BAKABRXUAOLQDI-BPKGMFCQSA-N 0 1 293.451 3.778 20 0 CHADMN CCN[C@@H](C)c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000634554096 1121319408 /nfs/dbraw/zinc/31/94/08/1121319408.db2.gz PKUIFBWOOFKQJS-ZETCQYMHSA-N 0 1 286.162 3.714 20 0 CHADMN CC(C)[C@]1(CO)CCCN(Cc2cc(Cl)ccc2F)C1 ZINC000339710898 1121409887 /nfs/dbraw/zinc/40/98/87/1121409887.db2.gz PWZYVNKDIPBYTO-MRXNPFEDSA-N 0 1 299.817 3.710 20 0 CHADMN Cc1ncoc1CN(C)[C@H](C)c1ccc(C)cc1C ZINC000893931592 1121441406 /nfs/dbraw/zinc/44/14/06/1121441406.db2.gz IWELWQGJLPUBLR-CQSZACIVSA-N 0 1 258.365 3.793 20 0 CHADMN Cc1ccc(-c2nc(CN(C)[C@H](C)C3CC3)cs2)o1 ZINC000075682398 1121607631 /nfs/dbraw/zinc/60/76/31/1121607631.db2.gz DYNXCDQYZQLAGN-LLVKDONJSA-N 0 1 276.405 3.942 20 0 CHADMN OCc1cc(Nc2ccc(Cl)cc2Cl)ccn1 ZINC001176652458 1121675568 /nfs/dbraw/zinc/67/55/68/1121675568.db2.gz XLKPAFOXRQCUNN-UHFFFAOYSA-N 0 1 269.131 3.624 20 0 CHADMN Cc1ncoc1CNCc1ccc(C(C)(C)C)cc1 ZINC000894211180 1121786272 /nfs/dbraw/zinc/78/62/72/1121786272.db2.gz NPXKQFWWQUMJBF-UHFFFAOYSA-N 0 1 258.365 3.570 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC001179957712 1121937734 /nfs/dbraw/zinc/93/77/34/1121937734.db2.gz QDCMODPPCIYRPT-HNNXBMFYSA-N 0 1 281.831 3.953 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN1CCCO[C@H](CF)C1 ZINC000414481816 1122052008 /nfs/dbraw/zinc/05/20/08/1122052008.db2.gz WPRHMZWJERLZGQ-CQSZACIVSA-N 0 1 285.790 3.517 20 0 CHADMN CCn1ccc(CN2CC[C@H](C(C)(C)C)C[C@@H]2C)n1 ZINC001182181877 1122116048 /nfs/dbraw/zinc/11/60/48/1122116048.db2.gz BSOAFDUJIXZKLJ-KBPBESRZSA-N 0 1 263.429 3.550 20 0 CHADMN Fc1cccc(CN[C@H](c2cccs2)C2CC2)n1 ZINC000774464569 1122166616 /nfs/dbraw/zinc/16/66/16/1122166616.db2.gz YDLDOGDLBMMLFM-AWEZNQCLSA-N 0 1 262.353 3.523 20 0 CHADMN CC1CC(CN2CCc3c(Br)cccc3C2)C1 ZINC001190722889 1122552382 /nfs/dbraw/zinc/55/23/82/1122552382.db2.gz SMMOARXFCHJMCC-UHFFFAOYSA-N 0 1 294.236 3.853 20 0 CHADMN Oc1c(F)cc(F)cc1-c1ccc(C(F)(F)F)cn1 ZINC001250449313 1122627703 /nfs/dbraw/zinc/62/77/03/1122627703.db2.gz MPCKFDCEWAGTKJ-UHFFFAOYSA-N 0 1 275.176 3.751 20 0 CHADMN CCN(Cc1c(C)n[nH]c1C)Cc1ccc(Cl)cc1 ZINC000507130898 1122928322 /nfs/dbraw/zinc/92/83/22/1122928322.db2.gz AFBSWQYNRYDPFA-UHFFFAOYSA-N 0 1 277.799 3.702 20 0 CHADMN CCc1cnc(N=C2CCC(C(F)(F)F)CC2)cn1 ZINC001196767741 1122932115 /nfs/dbraw/zinc/93/21/15/1122932115.db2.gz NARDQKUHGSAPGF-SECBINFHSA-N 0 1 271.286 3.697 20 0 CHADMN CC[C@H](F)CN1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000440781952 1123039467 /nfs/dbraw/zinc/03/94/67/1123039467.db2.gz BKPHAHJDZXNQBS-VHDGCEQUSA-N 0 1 267.413 3.913 20 0 CHADMN CC[C@@H](O)CNCc1c(Cl)ccc(Cl)c1Cl ZINC000229969835 1123226468 /nfs/dbraw/zinc/22/64/68/1123226468.db2.gz CYYURYXQQCXINJ-SSDOTTSWSA-N 0 1 282.598 3.507 20 0 CHADMN CC(C)C[N@@H+](Cc1nc2c(s1)C[C@H](C)CC2)C1CC1 ZINC000508023668 1123257126 /nfs/dbraw/zinc/25/71/26/1123257126.db2.gz ZGKFITJGXMXXOT-GFCCVEGCSA-N 0 1 278.465 3.888 20 0 CHADMN CC(C)CN(Cc1nc2c(s1)C[C@H](C)CC2)C1CC1 ZINC000508023668 1123257129 /nfs/dbraw/zinc/25/71/29/1123257129.db2.gz ZGKFITJGXMXXOT-GFCCVEGCSA-N 0 1 278.465 3.888 20 0 CHADMN FC(F)OCCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000851717862 1123373875 /nfs/dbraw/zinc/37/38/75/1123373875.db2.gz ZQELEHITIWPTQF-GFCCVEGCSA-N 0 1 275.726 3.716 20 0 CHADMN c1nc(CN2CCCC[C@H]2CC2CCC2)cs1 ZINC000852711626 1123412660 /nfs/dbraw/zinc/41/26/60/1123412660.db2.gz HDQSXZKJUKGQCA-AWEZNQCLSA-N 0 1 250.411 3.688 20 0 CHADMN CCC1(c2nc([C@@H](N)C(C)C)no2)CCC(F)(F)CC1 ZINC000854133112 1123470237 /nfs/dbraw/zinc/47/02/37/1123470237.db2.gz SQYAMPOOMSBHLZ-JTQLQIEISA-N 0 1 287.354 3.583 20 0 CHADMN CC(C)C[C@@H]1CCC[C@H](NCc2nc(C(F)F)no2)C1 ZINC000895724532 1123508888 /nfs/dbraw/zinc/50/88/88/1123508888.db2.gz HJAXQFWKUJVMKO-QWRGUYRKSA-N 0 1 287.354 3.702 20 0 CHADMN O=C(CC1CCCC1)Nc1cc(F)cc(Cl)c1O ZINC000474443622 1123530894 /nfs/dbraw/zinc/53/08/94/1123530894.db2.gz DTBWYMXTWGGUSW-UHFFFAOYSA-N 0 1 271.719 3.704 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2nnc(C(C)(C)C)o2)CC1 ZINC000114729007 1123577255 /nfs/dbraw/zinc/57/72/55/1123577255.db2.gz OZZINUGUOSBWCI-ZDUSSCGKSA-N 0 1 279.428 3.625 20 0 CHADMN COc1ccc(CN(C)Cc2ccoc2C)cc1Cl ZINC000179257500 1123600502 /nfs/dbraw/zinc/60/05/02/1123600502.db2.gz KZCLYVLKNJTBJR-UHFFFAOYSA-N 0 1 279.767 3.882 20 0 CHADMN CCOc1ccc(CN2CC(C)(CC(F)F)C2)cc1 ZINC000648058474 1123613186 /nfs/dbraw/zinc/61/31/86/1123613186.db2.gz MIYCZTUTGDCGSS-UHFFFAOYSA-N 0 1 269.335 3.562 20 0 CHADMN Cc1[nH]ncc1CNc1cc(C)c(Br)c(C)c1 ZINC000192220106 1123636223 /nfs/dbraw/zinc/63/62/23/1123636223.db2.gz LQYOZIFXDAVRIK-UHFFFAOYSA-N 0 1 294.196 3.710 20 0 CHADMN CCC[C@@H](C)CCC[C@H](C)NCc1nnc(C)s1 ZINC000858403631 1123651334 /nfs/dbraw/zinc/65/13/34/1123651334.db2.gz IEGBRPYGXHZWMH-NEPJUHHUSA-N 0 1 269.458 3.931 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(Cl)nc2)nc1C ZINC000840784365 1123797834 /nfs/dbraw/zinc/79/78/34/1123797834.db2.gz QUBXDRXUTRYZSW-LBPRGKRZSA-N 0 1 275.783 3.598 20 0 CHADMN Cc1cccc(CN(C)Cc2cc(C)nc(Cl)c2)c1 ZINC000320558949 1123814722 /nfs/dbraw/zinc/81/47/22/1123814722.db2.gz LSGNLLQHHZXLLQ-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN C[C@H](Cc1ccccn1)NCc1c(Cl)cncc1Cl ZINC000865619436 1123999822 /nfs/dbraw/zinc/99/98/22/1123999822.db2.gz UFAJJJDYPFQGQU-SNVBAGLBSA-N 0 1 296.201 3.504 20 0 CHADMN Cc1ccnc(CN[C@]23C[C@H]2CCCC3)c1Br ZINC000865704386 1124007166 /nfs/dbraw/zinc/00/71/66/1124007166.db2.gz SBSRWVMPPRVTRG-BXUZGUMPSA-N 0 1 295.224 3.575 20 0 CHADMN CCC1(CC)CCN([C@H](C)c2nc(C3CC3)no2)C1 ZINC000446714593 1124118548 /nfs/dbraw/zinc/11/85/48/1124118548.db2.gz LASNRBZFMQCRPF-LLVKDONJSA-N 0 1 263.385 3.520 20 0 CHADMN CN(Cc1ncc(C(C)(C)C)s1)CC1CCC1 ZINC000448209368 1124572053 /nfs/dbraw/zinc/57/20/53/1124572053.db2.gz QHSPDSDMTULDHN-UHFFFAOYSA-N 0 1 252.427 3.673 20 0 CHADMN CC1(C)CCCN(Cc2ccnn2C2CCCC2)C1 ZINC000449015659 1124630209 /nfs/dbraw/zinc/63/02/09/1124630209.db2.gz LJHVQORLQWZBPG-UHFFFAOYSA-N 0 1 261.413 3.620 20 0 CHADMN CO[C@H]1CCN(Cc2cc(F)cc(Cl)c2)CC1(C)C ZINC000449495458 1124770391 /nfs/dbraw/zinc/77/03/91/1124770391.db2.gz DLSUVUXQZVXUAE-AWEZNQCLSA-N 0 1 285.790 3.726 20 0 CHADMN Cc1nc(CN2CC3(CCCC3)[C@H]2C(C)C)cs1 ZINC000449791142 1124872790 /nfs/dbraw/zinc/87/27/90/1124872790.db2.gz NSYBSYVKFIKGNF-CQSZACIVSA-N 0 1 264.438 3.852 20 0 CHADMN CCN(Cc1nc(Cl)cs1)[C@H]1CCOC(C)(C)C1 ZINC000877540095 1125041130 /nfs/dbraw/zinc/04/11/30/1125041130.db2.gz RXSKAWIAEGTDAA-JTQLQIEISA-N 0 1 288.844 3.576 20 0 CHADMN C[C@H](CN(C)Cc1coc(C2CC2)n1)C(C)(C)C ZINC000877825085 1125087312 /nfs/dbraw/zinc/08/73/12/1125087312.db2.gz PCFCYMUOEQQCCH-LLVKDONJSA-N 0 1 250.386 3.666 20 0 CHADMN Cc1cc(CN2CC[C@H](C(F)(F)F)O[C@@H](C)C2)cs1 ZINC000877820414 1125088157 /nfs/dbraw/zinc/08/81/57/1125088157.db2.gz IWXIHHDFFSKACG-JOYOIKCWSA-N 0 1 293.354 3.598 20 0 CHADMN CCS[C@@H](C)c1noc(CN(CC)C2CCCC2)n1 ZINC000121397922 1125109818 /nfs/dbraw/zinc/10/98/18/1125109818.db2.gz PSWFEYWLJSVEOQ-NSHDSACASA-N 0 1 283.441 3.648 20 0 CHADMN CCCCc1nc(CN2CC[C@@H]3CSC[C@H]3C2)cs1 ZINC000879559993 1125220255 /nfs/dbraw/zinc/22/02/55/1125220255.db2.gz VAEDKYPXAWWLRY-CHWSQXEVSA-N 0 1 296.505 3.671 20 0 CHADMN Cc1nc([C@H](C)NCC(C)(C)OCC2CC2)c(C)s1 ZINC000666214274 1125324879 /nfs/dbraw/zinc/32/48/79/1125324879.db2.gz SYWSFVIQBRCZSC-JTQLQIEISA-N 0 1 282.453 3.616 20 0 CHADMN Cc1ncccc1C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000191664480 1125326166 /nfs/dbraw/zinc/32/61/66/1125326166.db2.gz TXUCIJURWYTFSQ-CYBMUJFWSA-N 0 1 286.341 3.800 20 0 CHADMN Cc1ncccc1CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000191664480 1125326169 /nfs/dbraw/zinc/32/61/69/1125326169.db2.gz TXUCIJURWYTFSQ-CYBMUJFWSA-N 0 1 286.341 3.800 20 0 CHADMN COCc1csc(CNCc2ccc(C)nc2Cl)c1 ZINC000883293490 1125392110 /nfs/dbraw/zinc/39/21/10/1125392110.db2.gz VAQUGMXAPNPPJZ-UHFFFAOYSA-N 0 1 296.823 3.541 20 0 CHADMN COc1ccc(F)cc1CN1CCC(F)(F)C(C)(C)C1 ZINC001138370359 1131496006 /nfs/dbraw/zinc/49/60/06/1131496006.db2.gz DNYJZLSJIJEPMW-UHFFFAOYSA-N 0 1 287.325 3.702 20 0 CHADMN C[C@@H]1CN(Cc2cc(F)ccc2Cl)C2(CC2)C1 ZINC001138675420 1131535737 /nfs/dbraw/zinc/53/57/37/1131535737.db2.gz UZNNLKDAMZHPTM-JTQLQIEISA-N 0 1 253.748 3.854 20 0 CHADMN CCCCOc1cccc(CN2C[C@@H](F)C[C@H]2C)c1 ZINC001138952090 1131564121 /nfs/dbraw/zinc/56/41/21/1131564121.db2.gz IZQPAZAQGXQOLK-HIFRSBDPSA-N 0 1 265.372 3.798 20 0 CHADMN FC1(F)[C@H]2CN(C/C=C\c3ccc(Cl)cc3)C[C@H]21 ZINC000844460953 1131568015 /nfs/dbraw/zinc/56/80/15/1131568015.db2.gz YOQFDWSVHQYENR-JPIVSMNTSA-N 0 1 269.722 3.550 20 0 CHADMN CC(C)Oc1cccc(CN(C)C2CC(F)(F)C2)c1 ZINC001138985158 1131568924 /nfs/dbraw/zinc/56/89/24/1131568924.db2.gz OJPMHMMXNUBXFN-UHFFFAOYSA-N 0 1 269.335 3.703 20 0 CHADMN CC(C)Oc1cccc(CN2CCCC[C@H](F)C2)c1 ZINC001138983532 1131569067 /nfs/dbraw/zinc/56/90/67/1131569067.db2.gz VRAYLGTVLVWVCM-HNNXBMFYSA-N 0 1 265.372 3.798 20 0 CHADMN Fc1cc(F)c(CN2C[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001144120237 1131587215 /nfs/dbraw/zinc/58/72/15/1131587215.db2.gz FBSGUDZTIBHYPW-AOOOYVTPSA-N 0 1 271.738 3.850 20 0 CHADMN CCOc1ccc(CN2CC[C@](C)(CF)C2)cc1Cl ZINC001139594213 1131619764 /nfs/dbraw/zinc/61/97/64/1131619764.db2.gz CSOGFIWFPDEEHY-OAHLLOKOSA-N 0 1 285.790 3.920 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cc(F)c([O-])cc2F)C[C@H]1C ZINC001144647318 1131674104 /nfs/dbraw/zinc/67/41/04/1131674104.db2.gz DKCNQYQWQIBQAV-WDEREUQCSA-N 0 1 269.335 3.538 20 0 CHADMN CCCCC[C@H](CC)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227709655 1131727292 /nfs/dbraw/zinc/72/72/92/1131727292.db2.gz FDMCIFKJBIROLB-MNOVXSKESA-N 0 1 280.368 3.511 20 0 CHADMN CN(Cc1ncco1)C1CCC(C(C)(C)C)CC1 ZINC001141010652 1131984731 /nfs/dbraw/zinc/98/47/31/1131984731.db2.gz BONDNBNFVJJJFO-UHFFFAOYSA-N 0 1 250.386 3.711 20 0 CHADMN C[C@@H](N[C@@H]1CSCc2ccccc21)c1ccns1 ZINC000716014276 1132008145 /nfs/dbraw/zinc/00/81/45/1132008145.db2.gz JPNREDZXEYFURQ-ZWNOBZJWSA-N 0 1 276.430 3.782 20 0 CHADMN CC(C)OCC[C@H](C)NCc1c(F)ccc(F)c1Cl ZINC001172434911 1132214099 /nfs/dbraw/zinc/21/40/99/1132214099.db2.gz WAWLCGYEGFTSMV-JTQLQIEISA-N 0 1 291.769 3.911 20 0 CHADMN CCCCCC[C@@H](C)NCc1nnc(C2CC2)s1 ZINC000840891487 1132304238 /nfs/dbraw/zinc/30/42/38/1132304238.db2.gz PNBKLPYBVMHMNV-LLVKDONJSA-N 0 1 267.442 3.864 20 0 CHADMN Brc1c[nH]c(CN2CCC[C@@H]3CCCC[C@H]32)c1 ZINC001231573472 1132314528 /nfs/dbraw/zinc/31/45/28/1132314528.db2.gz BVFKOVXMYUNIPF-SMDDNHRTSA-N 0 1 297.240 3.932 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1nc2c(s1)CCCC2 ZINC001231578648 1132317427 /nfs/dbraw/zinc/31/74/27/1132317427.db2.gz PLVPMRIQINNDOX-VXGBXAGGSA-N 0 1 264.438 3.785 20 0 CHADMN CCCN(CCC)Cc1ncc(C)cc1Br ZINC001232174114 1132428473 /nfs/dbraw/zinc/42/84/73/1132428473.db2.gz UZSDVCKPGLLGOG-UHFFFAOYSA-N 0 1 285.229 3.775 20 0 CHADMN Cc1nc(Br)ccc1CN1CCCCC[C@H]1C ZINC001232323129 1132453932 /nfs/dbraw/zinc/45/39/32/1132453932.db2.gz VNTRBLVVYWHAIE-LLVKDONJSA-N 0 1 297.240 3.917 20 0 CHADMN Cc1nc(Br)ccc1CN1CCCC[C@@H](C)C1 ZINC001232319789 1132454372 /nfs/dbraw/zinc/45/43/72/1132454372.db2.gz LKMVLJYVSYSMAN-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN Cc1c(F)cc(CN2CCCCC23CC3)cc1F ZINC001232425005 1132468767 /nfs/dbraw/zinc/46/87/67/1132468767.db2.gz WDTDMFJOIJJTMU-UHFFFAOYSA-N 0 1 251.320 3.792 20 0 CHADMN COCC[C@@H]1CCCCN1Cc1ccc(C(F)(F)F)o1 ZINC001232443578 1132471056 /nfs/dbraw/zinc/47/10/56/1132471056.db2.gz CDIYRTRRHDVSRF-NSHDSACASA-N 0 1 291.313 3.689 20 0 CHADMN CCCN(CCOC)Cc1cc(F)c(Cl)cc1Cl ZINC001232698670 1132507388 /nfs/dbraw/zinc/50/73/88/1132507388.db2.gz RDYABADRYJIXDK-UHFFFAOYSA-N 0 1 294.197 3.991 20 0 CHADMN CCOc1ccc(CN(C)C2CC(C)C2)c(F)c1F ZINC001143268771 1132527010 /nfs/dbraw/zinc/52/70/10/1132527010.db2.gz FXGGZRRSVXGITR-UHFFFAOYSA-N 0 1 269.335 3.594 20 0 CHADMN CSc1cccc(Cl)c1CN1CCC[C@@H](C(C)=O)C1 ZINC001233352409 1132608004 /nfs/dbraw/zinc/60/80/04/1132608004.db2.gz CRWIDBMQFMZGLV-GFCCVEGCSA-N 0 1 297.851 3.863 20 0 CHADMN COCC1CCN(Cc2c(Cl)cccc2SC)CC1 ZINC001233350877 1132608574 /nfs/dbraw/zinc/60/85/74/1132608574.db2.gz XPLHDRISSJPDLJ-UHFFFAOYSA-N 0 1 299.867 3.920 20 0 CHADMN Brc1cc(CN2CCCCCCC2)c[nH]1 ZINC001233437305 1132623244 /nfs/dbraw/zinc/62/32/44/1132623244.db2.gz URRMEBOWNOIMMO-UHFFFAOYSA-N 0 1 271.202 3.543 20 0 CHADMN Cc1cnc(NCCSCc2ccco2)cc1C ZINC001156198199 1132688005 /nfs/dbraw/zinc/68/80/05/1132688005.db2.gz LAJNZWOSUQZRRJ-UHFFFAOYSA-N 0 1 262.378 3.637 20 0 CHADMN Cc1cccc([C@H](C)N2C[C@H](C)O[C@](C)(C(F)F)C2)c1 ZINC001174723760 1132966389 /nfs/dbraw/zinc/96/63/89/1132966389.db2.gz FGILXBIHINKYGJ-XEZPLFJOSA-N 0 1 283.362 3.801 20 0 CHADMN CC(C)(C)CNc1ccc(C2C=NC(=S)N2)cc1 ZINC001161639186 1133012941 /nfs/dbraw/zinc/01/29/41/1133012941.db2.gz HVQARKISMSNWGB-UHFFFAOYSA-N 0 1 261.394 3.823 20 0 CHADMN FC[C@@H]1CCCN(Cc2ccccc2OC(F)(F)F)C1 ZINC001204426075 1133445656 /nfs/dbraw/zinc/44/56/56/1133445656.db2.gz MVHWODKDWHGBEV-NSHDSACASA-N 0 1 291.288 3.767 20 0 CHADMN CCc1[nH]nc(Cl)c1C[N@H+]1CCC[C@H](CC(C)C)C1 ZINC001204578599 1133464176 /nfs/dbraw/zinc/46/41/76/1133464176.db2.gz BQIHDHWGZLYFEN-GFCCVEGCSA-N 0 1 283.847 3.884 20 0 CHADMN CC(C)OC1CN(C[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001207197417 1133778791 /nfs/dbraw/zinc/77/87/91/1133778791.db2.gz PTJKOCJCEGINCM-CJNGLKHVSA-N 0 1 279.811 3.553 20 0 CHADMN CCC(F)(F)CN[C@H]1CCC[C@H]1c1ccccc1 ZINC001206689074 1133732391 /nfs/dbraw/zinc/73/23/91/1133732391.db2.gz MFJJKJJKBOZEHM-KBPBESRZSA-N 0 1 253.336 3.958 20 0 CHADMN Cc1cc(CN(C)CCCC2CCCCC2)n(C)n1 ZINC001207607896 1133829837 /nfs/dbraw/zinc/82/98/37/1133829837.db2.gz HRHIDLHVYBHSHP-UHFFFAOYSA-N 0 1 263.429 3.521 20 0 CHADMN C[C@@H]1CCN(CCCc2ccc(Cl)cc2)CCC1=O ZINC001207592699 1133824074 /nfs/dbraw/zinc/82/40/74/1133824074.db2.gz HCKRPTGAYOIKLH-CYBMUJFWSA-N 0 1 279.811 3.574 20 0 CHADMN Fc1cc(F)cc(CC[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001209136340 1133981449 /nfs/dbraw/zinc/98/14/49/1133981449.db2.gz NLTUGXDOEJVICL-LLVKDONJSA-N 0 1 293.279 3.782 20 0 CHADMN Fc1cc(F)cc(CCN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001209136340 1133981450 /nfs/dbraw/zinc/98/14/50/1133981450.db2.gz NLTUGXDOEJVICL-LLVKDONJSA-N 0 1 293.279 3.782 20 0 CHADMN COc1c(Cl)ccc(C[N@@H+](C)C2CCCC2)c1F ZINC001209700450 1134052484 /nfs/dbraw/zinc/05/24/84/1134052484.db2.gz HUOKELAZJIYSME-UHFFFAOYSA-N 0 1 271.763 3.862 20 0 CHADMN FCCCCO[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001209987599 1134116548 /nfs/dbraw/zinc/11/65/48/1134116548.db2.gz JMWDHHKAXOILAJ-OAHLLOKOSA-N 0 1 285.790 3.681 20 0 CHADMN Cc1cccc(CN[C@H](C)c2ccc(Cl)cc2)n1 ZINC000051573755 1125511194 /nfs/dbraw/zinc/51/11/94/1125511194.db2.gz RTUUIEVPZRFJMH-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2cc(C)ccc2C)no1 ZINC000133718820 1125512001 /nfs/dbraw/zinc/51/20/01/1125512001.db2.gz IAMCBMOQKIDHOB-KRWDZBQOSA-N 0 1 270.376 3.937 20 0 CHADMN COCCCCN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000117884430 1125518953 /nfs/dbraw/zinc/51/89/53/1125518953.db2.gz HSOHKRFYORQSNV-HNNXBMFYSA-N 0 1 299.867 3.857 20 0 CHADMN CN(Cc1ccc(Cl)cc1)[C@H]1CCCc2c1cnn2C ZINC000135600722 1125527488 /nfs/dbraw/zinc/52/74/88/1125527488.db2.gz JLZAURZWDMVBBS-HNNXBMFYSA-N 0 1 289.810 3.583 20 0 CHADMN Cc1nnc(CN2CCC[C@@H]2CCC2CCCCC2)o1 ZINC000135297655 1125523223 /nfs/dbraw/zinc/52/32/23/1125523223.db2.gz XGAUSYZHOWVVMX-OAHLLOKOSA-N 0 1 277.412 3.703 20 0 CHADMN Cc1ccc(C)c(Nc2cc(Cl)cc(C(=O)[O-])c2)[nH+]1 ZINC001211960743 1125525619 /nfs/dbraw/zinc/52/56/19/1125525619.db2.gz KPQFTARAVVKYEQ-UHFFFAOYSA-N 0 1 276.723 3.794 20 0 CHADMN CC(C)COC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000054321955 1125528676 /nfs/dbraw/zinc/52/86/76/1125528676.db2.gz STHUSXMORWPUCR-UHFFFAOYSA-N 0 1 281.827 3.977 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccccc2Cn2cccn2)o1 ZINC000119293619 1125530197 /nfs/dbraw/zinc/53/01/97/1125530197.db2.gz KEKOAJCZZQNHGD-OAHLLOKOSA-N 0 1 295.386 3.684 20 0 CHADMN Cc1cc(CN[C@H](C)c2cncc(F)c2)ccc1F ZINC000119411353 1125533909 /nfs/dbraw/zinc/53/39/09/1125533909.db2.gz FPAGKARFRBKKLX-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN CCc1nnc([C@@H](C)N2CC[C@@H](c3ccc(C)cc3C)C2)o1 ZINC000348315365 1125533964 /nfs/dbraw/zinc/53/39/64/1125533964.db2.gz IUCQIJJTILULRL-HUUCEWRRSA-N 0 1 299.418 3.799 20 0 CHADMN O=C(C[C@@H]1C=CCC1)Nc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000622212889 1129238623 /nfs/dbraw/zinc/23/86/23/1129238623.db2.gz JJZOXNDKWBNYJN-MRVPVSSYSA-N 0 1 293.729 3.650 20 0 CHADMN CN(Cc1ccco1)Cc1ccc(OC(F)F)cc1 ZINC000060464404 1125545110 /nfs/dbraw/zinc/54/51/10/1125545110.db2.gz OOMVAAOCOQJILZ-UHFFFAOYSA-N 0 1 267.275 3.513 20 0 CHADMN CCCCN1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000031573500 1125548033 /nfs/dbraw/zinc/54/80/33/1125548033.db2.gz NMFRWKCWTNBHHH-AWEZNQCLSA-N 0 1 287.325 3.879 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000062649786 1125548059 /nfs/dbraw/zinc/54/80/59/1125548059.db2.gz GNUDBCPJOSCASW-LLVKDONJSA-N 0 1 291.782 3.622 20 0 CHADMN C[C@@H]1CCCN(Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000062649786 1125548063 /nfs/dbraw/zinc/54/80/63/1125548063.db2.gz GNUDBCPJOSCASW-LLVKDONJSA-N 0 1 291.782 3.622 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)[N@@H+](C)CCC1CCOCC1 ZINC000120609940 1125549707 /nfs/dbraw/zinc/54/97/07/1125549707.db2.gz KTSDLEUUMGTIKC-LBPRGKRZSA-N 0 1 283.362 3.774 20 0 CHADMN C[C@H](CSCc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000193711306 1125549750 /nfs/dbraw/zinc/54/97/50/1125549750.db2.gz LWMNKUVXLUJQJP-LLVKDONJSA-N 0 1 273.405 3.719 20 0 CHADMN Clc1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)s1 ZINC000193998006 1125550788 /nfs/dbraw/zinc/55/07/88/1125550788.db2.gz NHDMDWHGDAFCFN-JTQLQIEISA-N 0 1 281.812 3.504 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1ccsc1C(=O)OC ZINC000393204691 1125551745 /nfs/dbraw/zinc/55/17/45/1125551745.db2.gz CUEKVIGKFYGYBO-LLVKDONJSA-N 0 1 269.410 3.545 20 0 CHADMN Clc1ccsc1CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000194346806 1125554525 /nfs/dbraw/zinc/55/45/25/1125554525.db2.gz PEEAVEKSORXKSE-JTQLQIEISA-N 0 1 281.812 3.504 20 0 CHADMN c1sc2ccccc2c1CNCc1cn2ccccc2n1 ZINC000236572413 1125557702 /nfs/dbraw/zinc/55/77/02/1125557702.db2.gz MFFYQBSBCOQDSN-UHFFFAOYSA-N 0 1 293.395 3.839 20 0 CHADMN CC[C@@H](NCc1ccc(C)nn1)c1cccc(Cl)c1 ZINC000396647322 1125567437 /nfs/dbraw/zinc/56/74/37/1125567437.db2.gz RJSCANBGUPHBIS-OAHLLOKOSA-N 0 1 275.783 3.679 20 0 CHADMN CO[C@@H](C)c1nc(CN2CCCC[C@H]2C(C)C)cs1 ZINC000245465249 1125573547 /nfs/dbraw/zinc/57/35/47/1125573547.db2.gz IKZUNOMJRBFXIC-JSGCOSHPSA-N 0 1 282.453 3.861 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000629364427 1125586749 /nfs/dbraw/zinc/58/67/49/1125586749.db2.gz OECFNAHVRJNFLD-RHSMWYFYSA-N 0 1 289.419 3.887 20 0 CHADMN Cc1ccc([C@@H]2CCCN2CC(=O)c2cccn2C)cc1C ZINC000532926428 1125588532 /nfs/dbraw/zinc/58/85/32/1125588532.db2.gz AYBSQEJZZGVEAQ-KRWDZBQOSA-N 0 1 296.414 3.662 20 0 CHADMN CCCn1cc(CN2CC[C@@H](C)C[C@H]2c2ccco2)cn1 ZINC000245713061 1125590871 /nfs/dbraw/zinc/59/08/71/1125590871.db2.gz GIPHHIIKUVLKRJ-ZBFHGGJFSA-N 0 1 287.407 3.859 20 0 CHADMN FC(F)Oc1ccccc1CN[C@@H]1CCCC[C@H]1F ZINC000419824837 1125593922 /nfs/dbraw/zinc/59/39/22/1125593922.db2.gz UQAUVHZJFYNIEJ-VXGBXAGGSA-N 0 1 273.298 3.658 20 0 CHADMN COc1ccc(CN2C[C@H](C)[C@@H]2c2ccccc2)cc1O ZINC000245764137 1125594088 /nfs/dbraw/zinc/59/40/88/1125594088.db2.gz QJSPMBXWLIEWQH-SCLBCKFNSA-N 0 1 283.371 3.594 20 0 CHADMN Cc1ncccc1C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245794496 1125594846 /nfs/dbraw/zinc/59/48/46/1125594846.db2.gz WRLNMASZAYHHJM-DYVFJYSZSA-N 0 1 252.361 3.583 20 0 CHADMN Cc1ncccc1CN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245794496 1125594855 /nfs/dbraw/zinc/59/48/55/1125594855.db2.gz WRLNMASZAYHHJM-DYVFJYSZSA-N 0 1 252.361 3.583 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000216523053 1125598172 /nfs/dbraw/zinc/59/81/72/1125598172.db2.gz VQHAFKHDVFDRLZ-UTLUCORTSA-N 0 1 291.317 3.562 20 0 CHADMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000054494184 1125599348 /nfs/dbraw/zinc/59/93/48/1125599348.db2.gz HAHNGXFLZHHAME-SFHVURJKSA-N 0 1 290.366 3.887 20 0 CHADMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000054494184 1125599354 /nfs/dbraw/zinc/59/93/54/1125599354.db2.gz HAHNGXFLZHHAME-SFHVURJKSA-N 0 1 290.366 3.887 20 0 CHADMN CSc1ccc(Cl)cc1CN(C)[C@H]1CCCOC1 ZINC001238681607 1131231044 /nfs/dbraw/zinc/23/10/44/1131231044.db2.gz PXHMDPBJZHNMKV-ZDUSSCGKSA-N 0 1 285.840 3.673 20 0 CHADMN Cc1n[nH]c(CN[C@@H](C)c2cccc(OC(C)C)c2)c1C ZINC000885923961 1125627428 /nfs/dbraw/zinc/62/74/28/1125627428.db2.gz GDNVTMRELYDLHW-AWEZNQCLSA-N 0 1 287.407 3.665 20 0 CHADMN CC[C@@H](c1ccccc1)N1CCO[C@@H](c2ccco2)C1 ZINC000246381515 1125622798 /nfs/dbraw/zinc/62/27/98/1125622798.db2.gz IYMVLDUMZXYTKA-DOTOQJQBSA-N 0 1 271.360 3.804 20 0 CHADMN CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccncc2)cc1 ZINC000067715555 1125625352 /nfs/dbraw/zinc/62/53/52/1125625352.db2.gz AVASRMPWFYVFLS-CQSZACIVSA-N 0 1 270.376 3.673 20 0 CHADMN c1cc(CN[C@@H](CCc2ccccc2)c2ccccc2)n[nH]1 ZINC000066990565 1125626169 /nfs/dbraw/zinc/62/61/69/1125626169.db2.gz CHAPXDDXGKABGP-IBGZPJMESA-N 0 1 291.398 3.873 20 0 CHADMN CC[C@H](C)[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000067379613 1125626389 /nfs/dbraw/zinc/62/63/89/1125626389.db2.gz XCZLIQKOVHIEQY-JTQLQIEISA-N 0 1 250.367 3.633 20 0 CHADMN CC[C@H](C)N(C)Cc1ncc(-c2cccs2)o1 ZINC000067379613 1125626393 /nfs/dbraw/zinc/62/63/93/1125626393.db2.gz XCZLIQKOVHIEQY-JTQLQIEISA-N 0 1 250.367 3.633 20 0 CHADMN Cc1n[nH]c(CN[C@H](C)c2ccccc2C(F)(F)F)c1C ZINC000885940162 1125628676 /nfs/dbraw/zinc/62/86/76/1125628676.db2.gz CDAUVUJSGNWUKC-LLVKDONJSA-N 0 1 297.324 3.896 20 0 CHADMN Cc1coc(CNC2(c3ccc(F)cc3)CCC2)c1 ZINC000885963133 1125631578 /nfs/dbraw/zinc/63/15/78/1125631578.db2.gz KXRNQMYMUNXBJU-UHFFFAOYSA-N 0 1 259.324 3.896 20 0 CHADMN CC[C@H](NCc1sccc1C)c1nccs1 ZINC000070717225 1125632077 /nfs/dbraw/zinc/63/20/77/1125632077.db2.gz AEXNAIJHGQTKBT-JTQLQIEISA-N 0 1 252.408 3.754 20 0 CHADMN CC(C)(NC/C=C/c1cccc(F)c1)c1nccs1 ZINC000885990782 1125632832 /nfs/dbraw/zinc/63/28/32/1125632832.db2.gz PINIMEYADNYPDI-GQCTYLIASA-N 0 1 276.380 3.820 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1nc([C@@H](C)OCC)no1 ZINC000072775307 1125634990 /nfs/dbraw/zinc/63/49/90/1125634990.db2.gz AJARYHANCWYADO-BFHYXJOUSA-N 0 1 295.427 3.568 20 0 CHADMN c1sc2ccccc2c1CNCc1cnc(C2CC2)nc1 ZINC000459388478 1125636026 /nfs/dbraw/zinc/63/60/26/1125636026.db2.gz LACJNIOPJICVIF-UHFFFAOYSA-N 0 1 295.411 3.859 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2C[C@H](C)CC[C@@H]2C)c(C)c1 ZINC000072896930 1125636873 /nfs/dbraw/zinc/63/68/73/1125636873.db2.gz OXJNKWJCIUFWCE-WBMJQRKESA-N 0 1 288.435 3.671 20 0 CHADMN Cc1n[nH]c(CN[C@@H]2CC3(CCC3)Oc3ccccc32)c1C ZINC000886019546 1125638033 /nfs/dbraw/zinc/63/80/33/1125638033.db2.gz WRELFJSAADERTR-OAHLLOKOSA-N 0 1 297.402 3.563 20 0 CHADMN Cc1[nH]nc(CNc2ccc(OC3CCC3)c(F)c2)c1C ZINC000886038876 1125639424 /nfs/dbraw/zinc/63/94/24/1125639424.db2.gz CUIAQMVIEOLDBE-UHFFFAOYSA-N 0 1 289.354 3.709 20 0 CHADMN CCOc1ccc(NC(=O)c2cccc3nc(C)[nH]c32)cc1 ZINC000074732643 1125642190 /nfs/dbraw/zinc/64/21/90/1125642190.db2.gz XQARBBSPLUZILF-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CCC[C@@H](C)[C@H]1C ZINC000246529816 1125645112 /nfs/dbraw/zinc/64/51/12/1125645112.db2.gz CFGILXCQLJKNDU-UKRRQHHQSA-N 0 1 288.435 3.616 20 0 CHADMN CCS[C@@H]1CCCCN([C@H](C)c2nc(C(C)C)no2)C1 ZINC000246542933 1125645962 /nfs/dbraw/zinc/64/59/62/1125645962.db2.gz BURTXPXHEDGLLA-CHWSQXEVSA-N 0 1 297.468 3.862 20 0 CHADMN COCc1ccc([C@H]2CCCN2Cc2cc(C)oc2C)o1 ZINC000137069217 1125648668 /nfs/dbraw/zinc/64/86/68/1125648668.db2.gz DWISIHZKCDIGDU-MRXNPFEDSA-N 0 1 289.375 3.973 20 0 CHADMN CC[C@H](C)[C@@H](C)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000246844530 1125650265 /nfs/dbraw/zinc/65/02/65/1125650265.db2.gz CHQIMZVXBALPCF-WOSRLPQWSA-N 0 1 289.398 3.673 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@@H](C(C)(C)C)CC2)o1 ZINC000246952784 1125651936 /nfs/dbraw/zinc/65/19/36/1125651936.db2.gz JKBKZVHMYZIPAY-DGCLKSJQSA-N 0 1 265.401 3.587 20 0 CHADMN Cc1coc(CN[C@H]2CCCc3c(F)cccc32)c1 ZINC000886127914 1125654026 /nfs/dbraw/zinc/65/40/26/1125654026.db2.gz XDBBYSOVWUREDU-INIZCTEOSA-N 0 1 259.324 3.894 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2F)N(Cc2ccncc2)C1 ZINC000075901365 1125660773 /nfs/dbraw/zinc/66/07/73/1125660773.db2.gz FPRXMHVZBPXMCQ-CXAGYDPISA-N 0 1 270.351 3.804 20 0 CHADMN Cc1cncc([C@@H]2CCCN2CCSC(F)(F)F)c1 ZINC000886310620 1125668402 /nfs/dbraw/zinc/66/84/02/1125668402.db2.gz PYSPUIZSGUDEHP-LBPRGKRZSA-N 0 1 290.354 3.780 20 0 CHADMN CO[C@H](C)c1nc(CN2C[C@H](C)[C@H]3CCCC[C@H]32)cs1 ZINC000248424618 1125669319 /nfs/dbraw/zinc/66/93/19/1125669319.db2.gz NPBRFJGFRPUABN-CTHBEMJXSA-N 0 1 294.464 3.861 20 0 CHADMN Nc1ccc(Cl)cc1CN1CCC[C@@H]1c1ccncc1 ZINC000093631795 1125672742 /nfs/dbraw/zinc/67/27/42/1125672742.db2.gz HOCZEZWPQKJRPS-MRXNPFEDSA-N 0 1 287.794 3.654 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3c2cccc3F)cnc1Cl ZINC000886363929 1125672760 /nfs/dbraw/zinc/67/27/60/1125672760.db2.gz JANOUCOKFFBMLU-OAHLLOKOSA-N 0 1 290.769 3.960 20 0 CHADMN Cc1cc(CNC(C)(C)c2ccc(F)cc2F)ccn1 ZINC000886350238 1125673162 /nfs/dbraw/zinc/67/31/62/1125673162.db2.gz NUXHWJSKLITRAZ-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN Cc1[nH]nc(CNc2ccc3c(c2)C=CC2(CCC2)O3)c1C ZINC000886389248 1125676474 /nfs/dbraw/zinc/67/64/74/1125676474.db2.gz ANAULRGMOOVFOA-UHFFFAOYSA-N 0 1 295.386 3.967 20 0 CHADMN Clc1ccc2c(c1)CC[C@H]2N[C@H]1CCc2cccnc21 ZINC000886516629 1125683000 /nfs/dbraw/zinc/68/30/00/1125683000.db2.gz RCCCJIUEFKSNNC-CVEARBPZSA-N 0 1 284.790 3.999 20 0 CHADMN Cc1c2ccccc2oc1CN[C@@H]1CCc2cccnc21 ZINC000886528033 1125684685 /nfs/dbraw/zinc/68/46/85/1125684685.db2.gz FUMRVWJIHYAMPQ-OAHLLOKOSA-N 0 1 278.355 3.913 20 0 CHADMN CSc1cc(C)ccc1CN[C@H]1CCc2cccnc21 ZINC000886538211 1125685499 /nfs/dbraw/zinc/68/54/99/1125685499.db2.gz DCIHRAVUWJAJOQ-HNNXBMFYSA-N 0 1 284.428 3.889 20 0 CHADMN CC[C@@H]1CCC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000393311557 1125685854 /nfs/dbraw/zinc/68/58/54/1125685854.db2.gz JVGHCHVHCXFYAW-LLVKDONJSA-N 0 1 253.773 3.668 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000393311557 1125685856 /nfs/dbraw/zinc/68/58/56/1125685856.db2.gz JVGHCHVHCXFYAW-LLVKDONJSA-N 0 1 253.773 3.668 20 0 CHADMN COC(=O)c1ccc2c(c1)CN(CCCC(C)(C)C)C2 ZINC000614908574 1125690652 /nfs/dbraw/zinc/69/06/52/1125690652.db2.gz WHIWNRUHNPTQSP-UHFFFAOYSA-N 0 1 275.392 3.615 20 0 CHADMN CC(C)N(CC(=O)c1c[nH]c2ccccc12)C1CCC1 ZINC000077357159 1125692485 /nfs/dbraw/zinc/69/24/85/1125692485.db2.gz RKEUKWLDRFPGGH-UHFFFAOYSA-N 0 1 270.376 3.614 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@H]1CCc3cccnc31)CCC2 ZINC000886587698 1125694533 /nfs/dbraw/zinc/69/45/33/1125694533.db2.gz DAOSONIURXWULZ-JSGCOSHPSA-N 0 1 285.416 3.501 20 0 CHADMN FC(F)(F)c1ccc(CN[C@@H]2CCc3cccnc32)s1 ZINC000886650402 1125704337 /nfs/dbraw/zinc/70/43/37/1125704337.db2.gz WIKIZCGENYGLHF-LLVKDONJSA-N 0 1 298.333 3.939 20 0 CHADMN Cc1cc2c(c(C)c1)[C@H](NCc1cc(C3CC3)no1)CC2 ZINC000886684517 1125706895 /nfs/dbraw/zinc/70/68/95/1125706895.db2.gz MXJWVOJQDMEFNG-MRXNPFEDSA-N 0 1 282.387 3.946 20 0 CHADMN C[C@H](c1nnc(-c2ccccc2)o1)N1CCC[C@H](C)C1 ZINC000253601677 1125719792 /nfs/dbraw/zinc/71/97/92/1125719792.db2.gz CYQBZSHDYFSHPS-QWHCGFSZSA-N 0 1 271.364 3.530 20 0 CHADMN C[C@H](NCc1cccc(OCC(F)F)c1)c1ccccn1 ZINC000089543353 1125735490 /nfs/dbraw/zinc/73/54/90/1125735490.db2.gz BLZMYYNEFAFZLO-LBPRGKRZSA-N 0 1 292.329 3.576 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc(N(C)C)n2)c(C)c1 ZINC000090850729 1125746236 /nfs/dbraw/zinc/74/62/36/1125746236.db2.gz FEKISBINRJJHAI-HNNXBMFYSA-N 0 1 283.419 3.615 20 0 CHADMN CC[C@H](C)N[C@@H](c1ccccn1)c1ccccc1OC ZINC000090913053 1125746915 /nfs/dbraw/zinc/74/69/15/1125746915.db2.gz YHOTYQLAHBSXQG-SUMWQHHRSA-N 0 1 270.376 3.568 20 0 CHADMN Cc1cccn2cc(CNCc3c(C)cccc3C)nc12 ZINC000091060812 1125748743 /nfs/dbraw/zinc/74/87/43/1125748743.db2.gz XDCFBDDNPOIOMM-UHFFFAOYSA-N 0 1 279.387 3.549 20 0 CHADMN C[C@@H](CCOCc1ccccc1)N[C@@H](C)c1cscn1 ZINC000286861488 1125753492 /nfs/dbraw/zinc/75/34/92/1125753492.db2.gz BBXVPOCXTXJWHB-KBPBESRZSA-N 0 1 290.432 3.789 20 0 CHADMN CC(C)c1nc(CCN[C@H](C)c2nccs2)cs1 ZINC000093404412 1125768067 /nfs/dbraw/zinc/76/80/67/1125768067.db2.gz BLCVSLLHUGGSCF-SNVBAGLBSA-N 0 1 281.450 3.616 20 0 CHADMN CC(C)(C)CC(C)(C)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000622293486 1129245843 /nfs/dbraw/zinc/24/58/43/1129245843.db2.gz OHYQIWLEEUGGTC-UHFFFAOYSA-N 0 1 291.439 3.623 20 0 CHADMN CCOc1cccc(CN2CC[C@H](C)C2)c1Br ZINC001238689993 1131232001 /nfs/dbraw/zinc/23/20/01/1131232001.db2.gz RHMPCLDHIXFMTO-NSHDSACASA-N 0 1 298.224 3.690 20 0 CHADMN COC[C@@H]1CCCCN1Cc1ccc(F)cc1OC(C)C ZINC001238696155 1131232659 /nfs/dbraw/zinc/23/26/59/1131232659.db2.gz VDUFRBGOCFKVIA-INIZCTEOSA-N 0 1 295.398 3.614 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001238699365 1131233696 /nfs/dbraw/zinc/23/36/96/1131233696.db2.gz KKMDGUUDSQWSQR-DOMZBBRYSA-N 0 1 263.356 3.597 20 0 CHADMN CCC(O)(CC)CN(C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000626110831 1129281998 /nfs/dbraw/zinc/28/19/98/1129281998.db2.gz SHPXJMBAPIHFKK-GFCCVEGCSA-N 0 1 282.428 3.516 20 0 CHADMN Cc1ccnc(N[C@H](C)[C@@H]2CC2(F)F)c1C1CC1 ZINC000639310822 1129301190 /nfs/dbraw/zinc/30/11/90/1129301190.db2.gz HTFYCBLXYSDNDM-KOLCDFICSA-N 0 1 252.308 3.723 20 0 CHADMN CCOc1cncc(CN2CCC[C@H]2c2cccs2)c1 ZINC000621710222 1129182782 /nfs/dbraw/zinc/18/27/82/1129182782.db2.gz XNFJILYEEVYZOR-HNNXBMFYSA-N 0 1 288.416 3.879 20 0 CHADMN CC(C)CCN(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000179469551 1129418703 /nfs/dbraw/zinc/41/87/03/1129418703.db2.gz IYPIAKCRRXKCPZ-UHFFFAOYSA-N 0 1 277.412 3.576 20 0 CHADMN OC1CCC2(CC1)CCN(Cc1cscc1Cl)CC2 ZINC000648627086 1129616450 /nfs/dbraw/zinc/61/64/50/1129616450.db2.gz QANMGBQERBJKOG-UHFFFAOYSA-N 0 1 299.867 3.919 20 0 CHADMN CSc1ccccc1CN1C[C@H](C)OCC12CCC2 ZINC000649822790 1129680064 /nfs/dbraw/zinc/68/00/64/1129680064.db2.gz PKGNMTYYIXLHJU-ZDUSSCGKSA-N 0 1 277.433 3.552 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CC[C@]2(CC2(F)F)C1 ZINC000649903617 1129685322 /nfs/dbraw/zinc/68/53/22/1129685322.db2.gz REFSWTHVMXSESN-ZANVPECISA-N 0 1 273.273 3.757 20 0 CHADMN Cc1ccsc1CN1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001204019170 1129685838 /nfs/dbraw/zinc/68/58/38/1129685838.db2.gz OOQSSLPHIHRCCF-GFCCVEGCSA-N 0 1 297.420 3.583 20 0 CHADMN OCC[C@H](NC/C=C\Cl)c1ccc(Cl)c(Cl)c1 ZINC000796428118 1129708510 /nfs/dbraw/zinc/70/85/10/1129708510.db2.gz CJLXENBNARYCAE-RSUUKKISSA-N 0 1 294.609 3.759 20 0 CHADMN CCOc1ccc(C)c(CN(CC)Cc2ccccn2)c1 ZINC001238705790 1131236170 /nfs/dbraw/zinc/23/61/70/1131236170.db2.gz AQEVYDMFWOEJSW-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN CC(C)(C)C1CC(NCc2occc2Br)C1 ZINC000382146980 1129854996 /nfs/dbraw/zinc/85/49/96/1129854996.db2.gz OHGHMUWHFVNOFF-UHFFFAOYSA-N 0 1 286.213 3.956 20 0 CHADMN CSc1ncc(C)cc1CN1CCCCC12CC2 ZINC001238718852 1131236372 /nfs/dbraw/zinc/23/63/72/1131236372.db2.gz SMYJGXLJWLPDEG-UHFFFAOYSA-N 0 1 262.422 3.630 20 0 CHADMN Cc1c(Cl)cccc1C[N@H+](CCC(=O)[O-])CC(C)C ZINC000901592216 1129938166 /nfs/dbraw/zinc/93/81/66/1129938166.db2.gz BDFCUEIVTOAIMG-UHFFFAOYSA-N 0 1 283.799 3.581 20 0 CHADMN CC1=CC[C@](C)(C(=O)Nc2ncc(C(F)(F)F)[nH]2)CC1 ZINC000621916301 1129206651 /nfs/dbraw/zinc/20/66/51/1129206651.db2.gz FJZFKPKVMQNRKD-LBPRGKRZSA-N 0 1 287.285 3.504 20 0 CHADMN C[C@@H]1CCC[C@@H](C)C1N[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC001170095938 1130225419 /nfs/dbraw/zinc/22/54/19/1130225419.db2.gz SGGLOSBAZIVTRD-LALPHHSUSA-N 0 1 281.440 3.521 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(Cl)nc1)c1cncs1 ZINC000788983917 1130222473 /nfs/dbraw/zinc/22/24/73/1130222473.db2.gz ONZHXQGHPZKWJJ-RKDXNWHRSA-N 0 1 267.785 3.603 20 0 CHADMN COc1c(Br)cccc1CN1CCCCCC1 ZINC000481683331 1126705377 /nfs/dbraw/zinc/70/53/77/1126705377.db2.gz FWOWPENEUAMCPH-UHFFFAOYSA-N 0 1 298.224 3.834 20 0 CHADMN FC(F)(F)Oc1ccc2c(c1)nccc2NCC1CC1 ZINC000899877776 1126707743 /nfs/dbraw/zinc/70/77/43/1126707743.db2.gz VWLMNCMMNBVYIH-UHFFFAOYSA-N 0 1 282.265 3.955 20 0 CHADMN CCCC[C@H](COC)NCc1c(F)cccc1Cl ZINC000481712480 1126708069 /nfs/dbraw/zinc/70/80/69/1126708069.db2.gz AEEHXMBDHGWPLV-LLVKDONJSA-N 0 1 273.779 3.774 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@H]1CCCc2nn(C)cc21 ZINC000338009147 1126709006 /nfs/dbraw/zinc/70/90/06/1126709006.db2.gz IBWXUIKHOXWDBN-BBRMVZONSA-N 0 1 299.418 3.547 20 0 CHADMN CC1(C)CCC(C)(C)[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000629494043 1126709376 /nfs/dbraw/zinc/70/93/76/1126709376.db2.gz FGIIYCRPCFFSOU-UHFFFAOYSA-N 0 1 275.392 3.785 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccncc2F)cc1 ZINC000338012908 1126710805 /nfs/dbraw/zinc/71/08/05/1126710805.db2.gz BSFGGGSSZATWGA-STQMWFEESA-N 0 1 258.340 3.941 20 0 CHADMN C[C@@H](N[C@H](C)c1ccncc1F)c1ccsc1 ZINC000338021540 1126711408 /nfs/dbraw/zinc/71/14/08/1126711408.db2.gz QBKICIWGBMBLDK-NXEZZACHSA-N 0 1 250.342 3.694 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1ccccc1F ZINC000481754394 1126713333 /nfs/dbraw/zinc/71/33/33/1126713333.db2.gz WRRIACOHEMYHCD-CMPLNLGQSA-N 0 1 275.289 3.989 20 0 CHADMN CCOC(=O)C1(NC2CCC3(CC3)CC2)CCCCC1 ZINC001254436966 1130253561 /nfs/dbraw/zinc/25/35/61/1130253561.db2.gz AYBGNKFJWNLIBT-UHFFFAOYSA-N 0 1 279.424 3.565 20 0 CHADMN COc1cc(-c2nc3cccc(C)c3[nH]2)cc(Cl)c1O ZINC000587046370 1126719301 /nfs/dbraw/zinc/71/93/01/1126719301.db2.gz PWEBPKAKRVBLTA-UHFFFAOYSA-N 0 1 288.734 3.906 20 0 CHADMN c1sc2ccccc2c1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000338208274 1126723520 /nfs/dbraw/zinc/72/35/20/1126723520.db2.gz UCNIZPLDGBLOAW-LSDHHAIUSA-N 0 1 273.401 3.655 20 0 CHADMN c1sc2ccccc2c1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000338208274 1126723521 /nfs/dbraw/zinc/72/35/21/1126723521.db2.gz UCNIZPLDGBLOAW-LSDHHAIUSA-N 0 1 273.401 3.655 20 0 CHADMN c1c2ccccc2oc1CCNCc1nc2c(s1)CCC2 ZINC000093076330 1126721612 /nfs/dbraw/zinc/72/16/12/1126721612.db2.gz GWLMQPOELRFYOJ-UHFFFAOYSA-N 0 1 298.411 3.710 20 0 CHADMN Cc1ccc(CN(Cc2ccc3c(c2)CCO3)C2CC2)o1 ZINC000600627830 1126728611 /nfs/dbraw/zinc/72/86/11/1126728611.db2.gz ZSARWVGVQNEVPB-UHFFFAOYSA-N 0 1 283.371 3.688 20 0 CHADMN C[C@H]1c2ccccc2OCCN1Cc1ccc2c(c1)CCO2 ZINC000600635016 1126729834 /nfs/dbraw/zinc/72/98/34/1126729834.db2.gz GBFMLYSTNWJTTE-AWEZNQCLSA-N 0 1 295.382 3.577 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1N[C@@H](C)c1nnc(C)s1 ZINC000338276259 1126730559 /nfs/dbraw/zinc/73/05/59/1126730559.db2.gz APTBXWBZOCSUDJ-ZMLRMANQSA-N 0 1 285.482 3.561 20 0 CHADMN Cc1nc(C2(NC[C@@H]3CCCC(F)(F)C3)CCCC2)no1 ZINC000338284043 1126730769 /nfs/dbraw/zinc/73/07/69/1126730769.db2.gz JYHYAJFADVJFOL-GFCCVEGCSA-N 0 1 299.365 3.562 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1N[C@H](C)c1nnc(C)s1 ZINC000338276257 1126730883 /nfs/dbraw/zinc/73/08/83/1126730883.db2.gz APTBXWBZOCSUDJ-YUSALJHKSA-N 0 1 285.482 3.561 20 0 CHADMN CC[C@H]1CCC[N@H+]1Cc1ccc(O)c2nc(C)ccc12 ZINC000338304253 1126732898 /nfs/dbraw/zinc/73/28/98/1126732898.db2.gz IYHVDJWJMILQPT-AWEZNQCLSA-N 0 1 270.376 3.623 20 0 CHADMN C[C@H](NCc1cc(F)cc2cccnc21)c1ccncc1F ZINC000338353409 1126736636 /nfs/dbraw/zinc/73/66/36/1126736636.db2.gz HJAMTHFJFJPNOM-NSHDSACASA-N 0 1 299.324 3.759 20 0 CHADMN CC[C@H](NCc1ccnn1CC)c1ccc(Cl)s1 ZINC000677139784 1130294502 /nfs/dbraw/zinc/29/45/02/1130294502.db2.gz VTPKVOJFXJYYMA-NSHDSACASA-N 0 1 283.828 3.859 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccc(OC)cc2)o1 ZINC000151025317 1126748709 /nfs/dbraw/zinc/74/87/09/1126748709.db2.gz XEHXYVNMYREZKN-LBPRGKRZSA-N 0 1 259.349 3.701 20 0 CHADMN C[C@@H](NCc1cccnc1)c1ccc(F)cc1OC(F)F ZINC000151101845 1126750169 /nfs/dbraw/zinc/75/01/69/1126750169.db2.gz WYHQMESEGXUAJR-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN COc1ccc(Cl)cc1[C@@H](C)NCc1cccnc1 ZINC000151100285 1126750688 /nfs/dbraw/zinc/75/06/88/1126750688.db2.gz CWEWKKZKZMPMDO-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN Clc1cccc2c1OCCC[C@@H]2NCc1cccnc1 ZINC000151081271 1126750777 /nfs/dbraw/zinc/75/07/77/1126750777.db2.gz IAWPTRGKRKBZMI-HNNXBMFYSA-N 0 1 288.778 3.739 20 0 CHADMN C[C@H]1CCCN1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000151177291 1126751710 /nfs/dbraw/zinc/75/17/10/1126751710.db2.gz WFSQUJJKPJOCJE-VIFPVBQESA-N 0 1 284.281 3.831 20 0 CHADMN CC[C@@H](Cc1ccc(Cl)cc1)NCc1ncc(C)o1 ZINC000668028169 1126754255 /nfs/dbraw/zinc/75/42/55/1126754255.db2.gz ZSPRQLJMYQMDSA-AWEZNQCLSA-N 0 1 278.783 3.747 20 0 CHADMN CC[C@@H](NCc1ccc(Cl)cc1Cl)c1cnn(C)c1 ZINC000151537536 1126754975 /nfs/dbraw/zinc/75/49/75/1126754975.db2.gz OELPXLZLVDMTCM-CQSZACIVSA-N 0 1 298.217 3.968 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccc(OC)c(OC)c2)o1 ZINC000151599351 1126755447 /nfs/dbraw/zinc/75/54/47/1126755447.db2.gz JNUCRHMERCZROC-LBPRGKRZSA-N 0 1 289.375 3.710 20 0 CHADMN CCOCc1ccc(CN[C@@H](C)c2ccco2)cc1 ZINC000151642646 1126755994 /nfs/dbraw/zinc/75/59/94/1126755994.db2.gz ACRGRSOIHNAVET-ZDUSSCGKSA-N 0 1 259.349 3.667 20 0 CHADMN CCCN(Cc1ccccc1)C(=O)c1cccc2[nH]cnc21 ZINC000158769683 1126756080 /nfs/dbraw/zinc/75/60/80/1126756080.db2.gz WCPOTDHZNNCPKE-UHFFFAOYSA-N 0 1 293.370 3.615 20 0 CHADMN C[C@H]1CCCCCN1Cc1ncccc1C(F)(F)F ZINC000678265547 1130381426 /nfs/dbraw/zinc/38/14/26/1130381426.db2.gz WLBYGVGMOWGHQL-NSHDSACASA-N 0 1 272.314 3.865 20 0 CHADMN CC1=C(C)CN(Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000482452190 1126757630 /nfs/dbraw/zinc/75/76/30/1126757630.db2.gz AILUYOBQPHISPM-UHFFFAOYSA-N 0 1 285.366 3.554 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCn2cccc2[C@@H]1C ZINC000659822255 1126764566 /nfs/dbraw/zinc/76/45/66/1126764566.db2.gz MBIUWYSBAPYZFY-RYUDHWBXSA-N 0 1 256.340 3.546 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cncc(F)c2)cc1F ZINC000162301861 1126770259 /nfs/dbraw/zinc/77/02/59/1126770259.db2.gz SLTKYVCEGFITRT-GHMZBOCLSA-N 0 1 292.329 3.780 20 0 CHADMN CC[C@@](C)(NCc1cccc(OC)c1)c1nc(C)cs1 ZINC000174498178 1126770428 /nfs/dbraw/zinc/77/04/28/1126770428.db2.gz GFBYFWCGPCJJLA-MRXNPFEDSA-N 0 1 290.432 3.875 20 0 CHADMN C[C@@H](NCCCn1ccc2ccccc21)c1cscn1 ZINC000162312527 1126770713 /nfs/dbraw/zinc/77/07/13/1126770713.db2.gz AKADEXASCGVNJY-CYBMUJFWSA-N 0 1 285.416 3.839 20 0 CHADMN CCCC[C@@H](CCC)CNC(=O)[C@H]1CCN1C(C)(C)C ZINC001137340704 1130428661 /nfs/dbraw/zinc/42/86/61/1130428661.db2.gz MMBDLMCMGASVQK-HUUCEWRRSA-N 0 1 282.472 3.582 20 0 CHADMN CC[C@H](NCc1ccc(F)nc1C)c1ccccc1OC ZINC000785418610 1126767760 /nfs/dbraw/zinc/76/77/60/1126767760.db2.gz YVCBPBWEHKOERN-HNNXBMFYSA-N 0 1 288.366 3.779 20 0 CHADMN C[N@@H+](Cc1ncc(C(C)(C)C)o1)[C@@H]1CCC(C)(C)C1 ZINC000483108509 1126768270 /nfs/dbraw/zinc/76/82/70/1126768270.db2.gz TXNLUWLZGIKDKK-GFCCVEGCSA-N 0 1 264.413 3.983 20 0 CHADMN CN(Cc1ncc(C(C)(C)C)o1)[C@@H]1CCC(C)(C)C1 ZINC000483108509 1126768274 /nfs/dbraw/zinc/76/82/74/1126768274.db2.gz TXNLUWLZGIKDKK-GFCCVEGCSA-N 0 1 264.413 3.983 20 0 CHADMN Cc1cccc(C2(NCc3ccc(CO)o3)CCCC2)c1 ZINC000174341677 1126768888 /nfs/dbraw/zinc/76/88/88/1126768888.db2.gz XMGOHUMGKJWZFK-UHFFFAOYSA-N 0 1 285.387 3.639 20 0 CHADMN Cc1ccccc1[C@@H](CC(C)C)NCc1ccc(CO)o1 ZINC000174383606 1126769133 /nfs/dbraw/zinc/76/91/33/1126769133.db2.gz LQHCFGKHFMRJEK-GOSISDBHSA-N 0 1 287.403 3.957 20 0 CHADMN CC(C)[C@@H]1[C@@H](C(C)C)CN1Cc1nccn1C(C)C ZINC000668220603 1126773482 /nfs/dbraw/zinc/77/34/82/1126773482.db2.gz WSCOUYDTEYSWGV-GDBMZVCRSA-N 0 1 263.429 3.576 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1cn(C(C)(C)C)nn1 ZINC000483243346 1126775476 /nfs/dbraw/zinc/77/54/76/1126775476.db2.gz CTEQHNVZVOSNJF-OAHLLOKOSA-N 0 1 278.444 3.578 20 0 CHADMN Cc1ncc(CN2CCCC[C@H]2c2cccn2C)s1 ZINC000175114688 1126777494 /nfs/dbraw/zinc/77/74/94/1126777494.db2.gz DZNQSZSRPNFTFS-HNNXBMFYSA-N 0 1 275.421 3.517 20 0 CHADMN Cc1cc(F)ccc1[C@H]1CCCN1Cc1cnc2n1CCC2 ZINC000668226751 1126777728 /nfs/dbraw/zinc/77/77/28/1126777728.db2.gz SBDZTFMBEGXSBE-QGZVFWFLSA-N 0 1 299.393 3.614 20 0 CHADMN CCc1ccccc1NC(=O)[C@H](C)N1CCC(C)=C(C)C1 ZINC000483366631 1126783831 /nfs/dbraw/zinc/78/38/31/1126783831.db2.gz NPXNWGMNJJJHNE-HNNXBMFYSA-N 0 1 286.419 3.618 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2ccsc2Cl)C[C@@H]1O ZINC000483319078 1126781871 /nfs/dbraw/zinc/78/18/71/1126781871.db2.gz JLNKZFAWVOBEKI-NEPJUHHUSA-N 0 1 287.856 3.630 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)nc1 ZINC000483446618 1126788020 /nfs/dbraw/zinc/78/80/20/1126788020.db2.gz XRCSHPSJZDFLHA-ZDUSSCGKSA-N 0 1 286.341 3.800 20 0 CHADMN Cc1cc(CN(C)C[C@@H]2CC[C@@H](c3ccccc3)C2)no1 ZINC000659838649 1126791522 /nfs/dbraw/zinc/79/15/22/1126791522.db2.gz RHAYXQXQTQJNMU-NVXWUHKLSA-N 0 1 284.403 3.999 20 0 CHADMN C[C@]12CCN(Cc3ccc(F)cc3)C[C@H]1C2(Cl)Cl ZINC000792910656 1130505119 /nfs/dbraw/zinc/50/51/19/1130505119.db2.gz FMWHKRANMODVMJ-OLZOCXBDSA-N 0 1 288.193 3.841 20 0 CHADMN COc1cc(C)cc(CN[C@@H](c2ccccn2)C2CC2)c1 ZINC000903127568 1126794785 /nfs/dbraw/zinc/79/47/85/1126794785.db2.gz IUSQKTSDHSPKIA-GOSISDBHSA-N 0 1 282.387 3.640 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1cncc(Br)c1 ZINC000163220297 1126800738 /nfs/dbraw/zinc/80/07/38/1126800738.db2.gz QZXSQVJXYLTNPR-MFKMUULPSA-N 0 1 283.213 3.607 20 0 CHADMN C[C@@H](CCC(F)(F)F)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000483654400 1126796697 /nfs/dbraw/zinc/79/66/97/1126796697.db2.gz BQWJYZUECNWUHX-IUCAKERBSA-N 0 1 293.333 3.749 20 0 CHADMN Cc1cccnc1[C@H](N[C@H](C)c1ccccn1)C(C)C ZINC000177184533 1126798822 /nfs/dbraw/zinc/79/88/22/1126798822.db2.gz HXZOLOVBPQXQOV-GDBMZVCRSA-N 0 1 269.392 3.833 20 0 CHADMN C[C@@H](N(C)Cc1csc(-c2ccccn2)n1)C1(C)CC1 ZINC000177220418 1126798873 /nfs/dbraw/zinc/79/88/73/1126798873.db2.gz HLXCXGRWYHWYLY-GFCCVEGCSA-N 0 1 287.432 3.826 20 0 CHADMN CC[C@@H]1CO[C@@H](CC)CN1Cc1cc2ccncc2s1 ZINC000668283556 1126804726 /nfs/dbraw/zinc/80/47/26/1126804726.db2.gz SOCMNKVLPVOYGM-KGLIPLIRSA-N 0 1 290.432 3.686 20 0 CHADMN c1c2ccccc2oc1[C@@H](N[C@@H]1CCOC1)c1ccccc1 ZINC000177860011 1126806448 /nfs/dbraw/zinc/80/64/48/1126806448.db2.gz YQCPSKQHQMLFFX-APWZRJJASA-N 0 1 293.366 3.901 20 0 CHADMN C[C@@H]1CCN(Cc2coc(-c3cccs3)n2)[C@@H]1C ZINC000177907390 1126807330 /nfs/dbraw/zinc/80/73/30/1126807330.db2.gz LBHVBWWMCXOQLI-GHMZBOCLSA-N 0 1 262.378 3.633 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@@H]1CCCc3occc31)CCO2 ZINC000177941555 1126807337 /nfs/dbraw/zinc/80/73/37/1126807337.db2.gz VOGXCHICNFMSLO-HUUCEWRRSA-N 0 1 287.334 3.910 20 0 CHADMN Cc1cccc2nc(CN[C@H]3c4ccccc4C[C@H]3C)cn21 ZINC000178058297 1126808963 /nfs/dbraw/zinc/80/89/63/1126808963.db2.gz GAHVLFOIULDTSG-BFUOFWGJSA-N 0 1 291.398 3.666 20 0 CHADMN Cc1cccc(CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)n1 ZINC000679543862 1130537593 /nfs/dbraw/zinc/53/75/93/1130537593.db2.gz FQAJTNSVPGKDOB-RYUDHWBXSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1oc(-c2ccccc2)nc1CN1CCC(C)CC1 ZINC000252022857 1126811642 /nfs/dbraw/zinc/81/16/42/1126811642.db2.gz ZNJVEHUIMBYCCM-UHFFFAOYSA-N 0 1 270.376 3.882 20 0 CHADMN COc1ccsc1CN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679584089 1130544204 /nfs/dbraw/zinc/54/42/04/1130544204.db2.gz KNOSLRIGXYRPLY-UWVGGRQHSA-N 0 1 293.354 3.920 20 0 CHADMN CSc1ccc([C@H](C)NCc2ccoc2)cc1F ZINC000178475238 1126814294 /nfs/dbraw/zinc/81/42/94/1126814294.db2.gz MJJRYAVKAOCBKN-JTQLQIEISA-N 0 1 265.353 3.991 20 0 CHADMN CN1CCCC[C@@H]1CO[C@H](c1ccccc1)C(F)(F)F ZINC001224702933 1126814970 /nfs/dbraw/zinc/81/49/70/1126814970.db2.gz PGYOJMLPLMXWIB-ZIAGYGMSSA-N 0 1 287.325 3.791 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc(Cn3cccn3)cc2)o1 ZINC000178506398 1126815251 /nfs/dbraw/zinc/81/52/51/1126815251.db2.gz JTTASWQVGABXPU-HNNXBMFYSA-N 0 1 295.386 3.684 20 0 CHADMN CSC[C@H]1CCCN1Cc1nc2ccccc2s1 ZINC000178572060 1126816257 /nfs/dbraw/zinc/81/62/57/1126816257.db2.gz SNEPRTPNBOOSPC-LLVKDONJSA-N 0 1 278.446 3.624 20 0 CHADMN CSC[C@@H]1CCCN1Cc1nc2ccccc2s1 ZINC000178572053 1126816557 /nfs/dbraw/zinc/81/65/57/1126816557.db2.gz SNEPRTPNBOOSPC-NSHDSACASA-N 0 1 278.446 3.624 20 0 CHADMN CN(Cc1cccc(O)c1)Cc1ccccc1N1CCCC1 ZINC000178869113 1126821243 /nfs/dbraw/zinc/82/12/43/1126821243.db2.gz IDEDUTUVCHUTQR-UHFFFAOYSA-N 0 1 296.414 3.624 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000178800961 1126820432 /nfs/dbraw/zinc/82/04/32/1126820432.db2.gz QVMSYRRVBVVMMQ-XOBRGWDASA-N 0 1 287.428 3.617 20 0 CHADMN CCN(Cc1ccccn1)[C@@H]1CCc2ccc(F)cc21 ZINC000179367386 1126826759 /nfs/dbraw/zinc/82/67/59/1126826759.db2.gz WISFVCXCJSLTIK-QGZVFWFLSA-N 0 1 270.351 3.730 20 0 CHADMN CCN(Cc1cnn2ccccc12)[C@H](C)c1cccc(O)c1 ZINC000179805804 1126834564 /nfs/dbraw/zinc/83/45/64/1126834564.db2.gz WNCORUAMOIQZLO-CQSZACIVSA-N 0 1 295.386 3.623 20 0 CHADMN CC[C@H](SC)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179827531 1126835194 /nfs/dbraw/zinc/83/51/94/1126835194.db2.gz VNSBCDOEIARDPZ-JTQLQIEISA-N 0 1 299.346 3.581 20 0 CHADMN CCOc1cc(CN2CCC[C@H]3CCCC[C@H]32)c(F)cn1 ZINC001238726085 1131238161 /nfs/dbraw/zinc/23/81/61/1131238161.db2.gz BJMPQKRPCAXGOM-CZUORRHYSA-N 0 1 292.398 3.774 20 0 CHADMN CC[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1F ZINC000180220878 1126841916 /nfs/dbraw/zinc/84/19/16/1126841916.db2.gz JSHCCAOSRDKAGX-FGTMMUONSA-N 0 1 285.362 3.525 20 0 CHADMN C[C@H](NC1(c2ccc(Cl)cc2)CCC1)c1cnn(C)c1 ZINC000180356456 1126842411 /nfs/dbraw/zinc/84/24/11/1126842411.db2.gz HXECHSDOZALKNB-LBPRGKRZSA-N 0 1 289.810 3.804 20 0 CHADMN COC[C@@H](N[C@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000180845303 1126849078 /nfs/dbraw/zinc/84/90/78/1126849078.db2.gz CSJCUTDRIAAFEC-ZWKOTPCHSA-N 0 1 285.362 3.790 20 0 CHADMN C[C@@H](NCc1nnc(-c2ccco2)o1)[C@H](C)c1ccccc1 ZINC000181523643 1126856341 /nfs/dbraw/zinc/85/63/41/1126856341.db2.gz HBGYZFLSXANCKH-QWHCGFSZSA-N 0 1 297.358 3.611 20 0 CHADMN Cc1noc(-c2cc(-c3ccc4ccccc4c3)n[nH]2)n1 ZINC000904579096 1126857328 /nfs/dbraw/zinc/85/73/28/1126857328.db2.gz LBTHMLZICWECBW-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN Cc1nnc([C@@H](C)Sc2nc3ccc(C)cc3[nH]2)s1 ZINC000181713075 1126860052 /nfs/dbraw/zinc/86/00/52/1126860052.db2.gz HXXAVFUBGHABTO-MRVPVSSYSA-N 0 1 290.417 3.885 20 0 CHADMN Cc1ccc(F)cc1CN(C)[C@@H](C)c1ccccn1 ZINC000182062812 1126865039 /nfs/dbraw/zinc/86/50/39/1126865039.db2.gz JBCKWEMTQFPBCR-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN C[C@@H](NCc1cc(F)cc2c1OCOC2)c1ccccc1 ZINC000182058267 1126865715 /nfs/dbraw/zinc/86/57/15/1126865715.db2.gz UFRFAKURYCDTRB-GFCCVEGCSA-N 0 1 287.334 3.543 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cnc(Cl)s2)cc1 ZINC000182349645 1126871256 /nfs/dbraw/zinc/87/12/56/1126871256.db2.gz XRNYYLZGBJHZQK-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1ccc(-c2cnc([C@@H]3CCCCN3)nc2)c(C)c1 ZINC000904857339 1126876975 /nfs/dbraw/zinc/87/69/75/1126876975.db2.gz PTCZGPMLYDDJGD-INIZCTEOSA-N 0 1 267.376 3.575 20 0 CHADMN CN(C)Cc1cc(-c2ccncc2C2CC2)ccc1F ZINC000904805947 1126877248 /nfs/dbraw/zinc/87/72/48/1126877248.db2.gz GTEMEEBETKEZMT-UHFFFAOYSA-N 0 1 270.351 3.827 20 0 CHADMN Cc1cccc(-c2cnc([C@H]3CCCCN3)nc2)c1Cl ZINC000904843990 1126878356 /nfs/dbraw/zinc/87/83/56/1126878356.db2.gz MNKZUFLOAQHRCZ-CQSZACIVSA-N 0 1 287.794 3.920 20 0 CHADMN CC(C)Cc1ccc([C@@H](C)NCc2n[nH]c(C3CC3)n2)cc1 ZINC000182670796 1126875726 /nfs/dbraw/zinc/87/57/26/1126875726.db2.gz HZCYYTOGUQYKRT-CYBMUJFWSA-N 0 1 298.434 3.731 20 0 CHADMN Clc1cscc1-c1cnc([C@H]2CCCCN2)nc1 ZINC000904899637 1126883776 /nfs/dbraw/zinc/88/37/76/1126883776.db2.gz QOJGMPIVQSPMAY-GFCCVEGCSA-N 0 1 279.796 3.673 20 0 CHADMN CCCCCC(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000485114156 1126886265 /nfs/dbraw/zinc/88/62/65/1126886265.db2.gz RROSYNNLUWFPBO-UHFFFAOYSA-N 0 1 298.346 3.737 20 0 CHADMN C[N@@H+](CCCC1CCCC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905369757 1126899020 /nfs/dbraw/zinc/89/90/20/1126899020.db2.gz OHJZMZGNOZQDCK-MRXNPFEDSA-N 0 1 275.392 3.715 20 0 CHADMN COc1ccc(CSc2nc3ccc(C)cc3[nH]2)cn1 ZINC000485287804 1126900625 /nfs/dbraw/zinc/90/06/25/1126900625.db2.gz IIOJPSNPMDRWIA-UHFFFAOYSA-N 0 1 285.372 3.567 20 0 CHADMN Cc1cc(F)c(CN2C[C@@H](C)CC23CC3)c(F)c1 ZINC001235199690 1130723019 /nfs/dbraw/zinc/72/30/19/1130723019.db2.gz UXAVLTUTFWTJKZ-NSHDSACASA-N 0 1 251.320 3.648 20 0 CHADMN C[C@H]1CCN(Cc2cc3c(cccc3Br)[nH]2)C1 ZINC001235212325 1130724191 /nfs/dbraw/zinc/72/41/91/1130724191.db2.gz KUQTZEADJIHJEF-JTQLQIEISA-N 0 1 293.208 3.772 20 0 CHADMN Cc1cc(CN2CCO[C@](C)(C3CC3)C2)cc2cccnc12 ZINC000668464164 1126905928 /nfs/dbraw/zinc/90/59/28/1126905928.db2.gz SLQAUFLPDGSBPQ-IBGZPJMESA-N 0 1 296.414 3.544 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2CCCC3(CC3)C2)c(C)c1 ZINC000187007902 1126907368 /nfs/dbraw/zinc/90/73/68/1126907368.db2.gz QBQNIBFPXCZHKB-HNNXBMFYSA-N 0 1 286.419 3.506 20 0 CHADMN CC(=O)Nc1ccccc1CN1CCc2ccc(C)cc2C1 ZINC000668479195 1126911380 /nfs/dbraw/zinc/91/13/80/1126911380.db2.gz MWDQDCISWFBACZ-UHFFFAOYSA-N 0 1 294.398 3.512 20 0 CHADMN Fc1ccc([C@@H](NC2CCCCC2)c2ncc[nH]2)cc1 ZINC000187684610 1126912798 /nfs/dbraw/zinc/91/27/98/1126912798.db2.gz SRFHDYHFKSDNTM-OAHLLOKOSA-N 0 1 273.355 3.561 20 0 CHADMN Fc1ccc(C(F)(F)F)c(-c2cccc3[nH]nnc32)c1 ZINC001240531957 1126919258 /nfs/dbraw/zinc/91/92/58/1126919258.db2.gz CRAXLSYKOCGEFT-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN Cc1cccc([C@H](C)N[C@H](C)c2nccnc2C)c1C ZINC000188019548 1126918651 /nfs/dbraw/zinc/91/86/51/1126918651.db2.gz QHHXBMGPTXUDGO-DZGCQCFKSA-N 0 1 269.392 3.814 20 0 CHADMN CC(C)C1(CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000188228618 1126921168 /nfs/dbraw/zinc/92/11/68/1126921168.db2.gz HPUJXIKUVNZAFD-OAHLLOKOSA-N 0 1 287.382 3.664 20 0 CHADMN Cc1cccc([C@H](O)CN2CC[C@H]2c2cccc(F)c2)c1 ZINC000905950462 1126923346 /nfs/dbraw/zinc/92/33/46/1126923346.db2.gz OHIBIAIAUBVMGE-ZWKOTPCHSA-N 0 1 285.362 3.615 20 0 CHADMN Cc1cccc([C@@H](O)CN2CC[C@H]2c2ccc(F)cc2)c1 ZINC000905963269 1126924150 /nfs/dbraw/zinc/92/41/50/1126924150.db2.gz RJPRIPBTMKFMOF-ROUUACIJSA-N 0 1 285.362 3.615 20 0 CHADMN CC(C)c1ccc(CN2CCC[C@@H]2C)c(Cl)n1 ZINC001238725122 1131238913 /nfs/dbraw/zinc/23/89/13/1131238913.db2.gz MTMAKTXFSDHOLV-NSHDSACASA-N 0 1 252.789 3.843 20 0 CHADMN CC(C)C(C)(C)CN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000188707251 1126925545 /nfs/dbraw/zinc/92/55/45/1126925545.db2.gz GGUKJALHMGWHNG-OAHLLOKOSA-N 0 1 271.408 3.771 20 0 CHADMN Cc1cncc(Br)c1CN1CCC[C@@H](C)[C@H]1C ZINC001235647663 1130760047 /nfs/dbraw/zinc/76/00/47/1130760047.db2.gz RJKAFCHNIREXFE-ZYHUDNBSSA-N 0 1 297.240 3.773 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC([C@H]2CCCO2)CC1 ZINC000189191142 1126928654 /nfs/dbraw/zinc/92/86/54/1126928654.db2.gz SGJQOTVVIWXMSS-BLLLJJGKSA-N 0 1 295.373 3.917 20 0 CHADMN Cc1cncc(Br)c1CN1C[C@H](C)C[C@H](C)C1 ZINC001235643559 1130760277 /nfs/dbraw/zinc/76/02/77/1130760277.db2.gz UCEUKUGVQXKZAQ-PHIMTYICSA-N 0 1 297.240 3.630 20 0 CHADMN Fc1c(Cl)cccc1-c1cnc([C@@H]2CCCCN2)nc1 ZINC000906207561 1126938439 /nfs/dbraw/zinc/93/84/39/1126938439.db2.gz VWHNSICUEDZGEO-ZDUSSCGKSA-N 0 1 291.757 3.751 20 0 CHADMN CC(C)COc1cccc(NC(=O)c2cn[nH]c2C2CC2)c1 ZINC000190155936 1126939118 /nfs/dbraw/zinc/93/91/18/1126939118.db2.gz KMGWCJWVPRDHMO-UHFFFAOYSA-N 0 1 299.374 3.574 20 0 CHADMN Cc1c([C@H](C)NCc2cccc(F)c2)cnn1C(C)C ZINC000191146372 1126947692 /nfs/dbraw/zinc/94/76/92/1126947692.db2.gz FRDIXRPSUXUUEG-LBPRGKRZSA-N 0 1 275.371 3.762 20 0 CHADMN Cc1c([C@H](C)NCc2ccccc2F)cnn1C(C)(C)C ZINC000191114886 1126947773 /nfs/dbraw/zinc/94/77/73/1126947773.db2.gz UKVULTHEUYQYJW-LBPRGKRZSA-N 0 1 289.398 3.936 20 0 CHADMN COc1cccc(CN[C@H](C)c2cnn(C(C)C)c2C)c1 ZINC000191125909 1126948061 /nfs/dbraw/zinc/94/80/61/1126948061.db2.gz NYBYRFVPESCLCM-CYBMUJFWSA-N 0 1 287.407 3.632 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1csc(Cl)c1 ZINC000191266224 1126950017 /nfs/dbraw/zinc/95/00/17/1126950017.db2.gz TVAHSLBEPLVJEG-RKDXNWHRSA-N 0 1 283.828 3.855 20 0 CHADMN CC(C)c1nnc(CN[C@H]2CCC[C@H]2Cc2ccccc2)o1 ZINC000191355730 1126951366 /nfs/dbraw/zinc/95/13/66/1126951366.db2.gz IXOOBRFHPRVDML-HOTGVXAUSA-N 0 1 299.418 3.694 20 0 CHADMN Cc1nc([C@@H](C)NCC(C)(C)C(C)(F)F)cs1 ZINC000829236661 1126951557 /nfs/dbraw/zinc/95/15/57/1126951557.db2.gz LGXIIPFUTJWMOB-MRVPVSSYSA-N 0 1 262.369 3.784 20 0 CHADMN CC(C)=CCNCc1cc2cnn(C(C)C)c2nc1Cl ZINC000191632217 1126953628 /nfs/dbraw/zinc/95/36/28/1126953628.db2.gz MACZAXDDLPMDCJ-UHFFFAOYSA-N 0 1 292.814 3.721 20 0 CHADMN CC(C)c1noc(CN[C@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000191885251 1126955660 /nfs/dbraw/zinc/95/56/60/1126955660.db2.gz WHKXWFFTQYWRRF-CVEARBPZSA-N 0 1 299.418 3.694 20 0 CHADMN CCCN(Cc1ncnn1CC(C)C)CC1CCCCC1 ZINC000485819702 1126955953 /nfs/dbraw/zinc/95/59/53/1126955953.db2.gz VODDVPDZVUEBLY-UHFFFAOYSA-N 0 1 292.471 3.726 20 0 CHADMN Clc1ccc(CCN(Cc2cocn2)CC2CC2)cc1 ZINC000191943986 1126956712 /nfs/dbraw/zinc/95/67/12/1126956712.db2.gz DDXNSGIIGXEPAW-UHFFFAOYSA-N 0 1 290.794 3.783 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccc(-c3cnco3)cc2)s1 ZINC000906525352 1126957039 /nfs/dbraw/zinc/95/70/39/1126957039.db2.gz LZFOVQDPZHXGEN-NSHDSACASA-N 0 1 299.399 3.957 20 0 CHADMN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)Cc1cocn1 ZINC000191946686 1126957119 /nfs/dbraw/zinc/95/71/19/1126957119.db2.gz QGXQUUWXXUWJAW-VXGBXAGGSA-N 0 1 278.783 3.952 20 0 CHADMN CC(C)c1ncc(CN(C)[C@H]2C[C@@H]2c2cccc(F)c2)cn1 ZINC000906586658 1126958960 /nfs/dbraw/zinc/95/89/60/1126958960.db2.gz HVZLCJMEQVYXOE-SJORKVTESA-N 0 1 299.393 3.727 20 0 CHADMN Cc1ncc(CN(C)[C@@H]2C[C@@H]2c2cccc(F)c2)s1 ZINC000906583277 1126960538 /nfs/dbraw/zinc/96/05/38/1126960538.db2.gz HMEMJZRAUUGHTA-HUUCEWRRSA-N 0 1 276.380 3.579 20 0 CHADMN CN(Cc1cscc1C(F)(F)F)CC1=CCCOC1 ZINC000668568852 1126963633 /nfs/dbraw/zinc/96/36/33/1126963633.db2.gz MFVFAKYWERREJH-UHFFFAOYSA-N 0 1 291.338 3.545 20 0 CHADMN CCCNc1ccc(CNCc2ccccc2F)cc1 ZINC000193154863 1126967404 /nfs/dbraw/zinc/96/74/04/1126967404.db2.gz TWBOALMRGAZNLZ-UHFFFAOYSA-N 0 1 272.367 3.937 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1ccnn1C ZINC000192727401 1126963994 /nfs/dbraw/zinc/96/39/94/1126963994.db2.gz BKHSQVXBJXWPDL-UWVGGRQHSA-N 0 1 281.762 3.624 20 0 CHADMN CCCOc1ccc(CN[C@H]2CCCc3occc32)cn1 ZINC000192845647 1126964654 /nfs/dbraw/zinc/96/46/54/1126964654.db2.gz NFBZCXWWFQNECT-HNNXBMFYSA-N 0 1 286.375 3.631 20 0 CHADMN CCN(c1ccc(N[C@@H](C)c2ccnn2C)cc1)C(C)C ZINC000193075458 1126965474 /nfs/dbraw/zinc/96/54/74/1126965474.db2.gz DEAALGTWVFFCLB-AWEZNQCLSA-N 0 1 286.423 3.828 20 0 CHADMN COc1cc(C)cc(CN[C@H]2CCCc3occc32)c1 ZINC000193042693 1126965971 /nfs/dbraw/zinc/96/59/71/1126965971.db2.gz RMABFNNIYBNDMJ-INIZCTEOSA-N 0 1 271.360 3.764 20 0 CHADMN COC[C@@H](NCc1cccs1)c1ccc(Cl)cc1 ZINC000193281371 1126968732 /nfs/dbraw/zinc/96/87/32/1126968732.db2.gz PCGRSIHTJLOBKX-CQSZACIVSA-N 0 1 281.808 3.879 20 0 CHADMN CCO[C@H](CN[C@@H](C)c1nccs1)c1ccccc1 ZINC000193429275 1126969204 /nfs/dbraw/zinc/96/92/04/1126969204.db2.gz JNSSOZQBULYZIB-GXTWGEPZSA-N 0 1 276.405 3.572 20 0 CHADMN COc1ccc(-c2c(F)cc(F)c(O)c2F)cc1C ZINC001235997800 1130826952 /nfs/dbraw/zinc/82/69/52/1130826952.db2.gz HRCZUAQAKDYHSF-UHFFFAOYSA-N 0 1 268.234 3.794 20 0 CHADMN COC[C@H](N[C@@H](C)c1cccnc1)c1ccc(Cl)cc1 ZINC000193948208 1126972429 /nfs/dbraw/zinc/97/24/29/1126972429.db2.gz DCUORXJHNZCOIU-LRDDRELGSA-N 0 1 290.794 3.773 20 0 CHADMN FCC[C@@H]1CCCN(Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000668591950 1126972462 /nfs/dbraw/zinc/97/24/62/1126972462.db2.gz FPLNZOWEKPFXFA-GXTWGEPZSA-N 0 1 298.427 3.566 20 0 CHADMN C=Cn1cc(CNC2(c3ccc(Cl)cc3)CCC2)cn1 ZINC000194274776 1126973014 /nfs/dbraw/zinc/97/30/14/1126973014.db2.gz SMYPPVVXJXDICB-UHFFFAOYSA-N 0 1 287.794 3.806 20 0 CHADMN C=Cn1cc(CNCc2ccc(C)cc2OC(C)(C)C)cn1 ZINC000194358056 1126973778 /nfs/dbraw/zinc/97/37/78/1126973778.db2.gz SNSBKBANACUPIR-UHFFFAOYSA-N 0 1 299.418 3.759 20 0 CHADMN CN(CCc1nccs1)Cc1sccc1Cl ZINC000194427210 1126975182 /nfs/dbraw/zinc/97/51/82/1126975182.db2.gz XQSFQKPRAXWYOX-UHFFFAOYSA-N 0 1 272.826 3.533 20 0 CHADMN C[C@H](N[C@H]1CCOc2c(F)cccc21)c1cccc(O)c1 ZINC000194967095 1126977339 /nfs/dbraw/zinc/97/73/39/1126977339.db2.gz PHONGCVMGCOCLR-ZBEGNZNMSA-N 0 1 287.334 3.706 20 0 CHADMN CCCC[C@@H](CC)CN[C@H](c1ncc[nH]1)c1cccnc1 ZINC000194959908 1126977423 /nfs/dbraw/zinc/97/74/23/1126977423.db2.gz ISHWXIFQLCQMNT-ZBFHGGJFSA-N 0 1 286.423 3.700 20 0 CHADMN CC(C)c1ccc(CN2C3CCC2CC3)c(Cl)n1 ZINC001238728481 1131239153 /nfs/dbraw/zinc/23/91/53/1131239153.db2.gz QWSXDMWBZUTCMI-UHFFFAOYSA-N 0 1 264.800 3.985 20 0 CHADMN Cc1cc([C@H](C)NCC(C)(C)c2ccc(F)cc2)no1 ZINC000284307408 1126986988 /nfs/dbraw/zinc/98/69/88/1126986988.db2.gz ZDTDOMIFULEZOB-LBPRGKRZSA-N 0 1 276.355 3.751 20 0 CHADMN Cc1cccc([C@H](NCc2nccn2C)C(C)(C)C)c1 ZINC000267378246 1126998537 /nfs/dbraw/zinc/99/85/37/1126998537.db2.gz AJHKCCLNVUFDRI-INIZCTEOSA-N 0 1 271.408 3.606 20 0 CHADMN FC(F)Oc1ccc(CN2CC[C@H]3C[C@H]3C2)cc1Cl ZINC000668677196 1127001035 /nfs/dbraw/zinc/00/10/35/1127001035.db2.gz ZIQQDMMJLCCMBA-QWRGUYRKSA-N 0 1 287.737 3.783 20 0 CHADMN CCCCc1noc(C[N@H+]2CCC[C@H]2CCC(C)C)n1 ZINC000486790955 1127002979 /nfs/dbraw/zinc/00/29/79/1127002979.db2.gz ZPBWJZKAICHPLT-AWEZNQCLSA-N 0 1 279.428 3.813 20 0 CHADMN CCCCc1noc(CN2CCC[C@H]2CCC(C)C)n1 ZINC000486790955 1127002981 /nfs/dbraw/zinc/00/29/81/1127002981.db2.gz ZPBWJZKAICHPLT-AWEZNQCLSA-N 0 1 279.428 3.813 20 0 CHADMN Cc1cc(CN2CC[C@](C)(CCc3ccccc3)C2)nn1C ZINC000486811634 1127003477 /nfs/dbraw/zinc/00/34/77/1127003477.db2.gz WJSULNDDFKBDIN-IBGZPJMESA-N 0 1 297.446 3.573 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1CC(=O)Nc1ccccc1F ZINC000486815180 1127004989 /nfs/dbraw/zinc/00/49/89/1127004989.db2.gz XWPOSKIUIKWQOB-XJKSGUPXSA-N 0 1 292.398 3.665 20 0 CHADMN CC(C)n1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000268026193 1127010055 /nfs/dbraw/zinc/01/00/55/1127010055.db2.gz KWJBLPYOVHKMKH-HNNXBMFYSA-N 0 1 287.382 3.593 20 0 CHADMN CCC(CC)CN(CC)C(=O)c1sccc1CN(C)C ZINC000268049284 1127010309 /nfs/dbraw/zinc/01/03/09/1127010309.db2.gz UJEDPKIETGRXLV-UHFFFAOYSA-N 0 1 296.480 3.708 20 0 CHADMN COCCOc1ccccc1CN[C@@H](C)c1cccs1 ZINC000268795853 1127024106 /nfs/dbraw/zinc/02/41/06/1127024106.db2.gz OASMJTFNPDPJOS-ZDUSSCGKSA-N 0 1 291.416 3.624 20 0 CHADMN COCc1cc(CN2CCC[C@H](C3CCCCC3)C2)no1 ZINC000668754932 1127024108 /nfs/dbraw/zinc/02/41/08/1127024108.db2.gz QUWLUMLLBHVGEX-HNNXBMFYSA-N 0 1 292.423 3.613 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)COC2)c1ccccn1 ZINC000268693696 1127021197 /nfs/dbraw/zinc/02/11/97/1127021197.db2.gz ACEBYCNEDLAYDT-QWHCGFSZSA-N 0 1 268.360 3.524 20 0 CHADMN CCc1ccc([C@H](C)NCc2cn3ccccc3n2)s1 ZINC000268747251 1127023013 /nfs/dbraw/zinc/02/30/13/1127023013.db2.gz VOEDLFMGKKVEIK-LBPRGKRZSA-N 0 1 285.416 3.809 20 0 CHADMN Cc1ccc2nc(CN[C@H]3c4ccccc4C[C@@H]3C)cn2c1 ZINC000268843822 1127026091 /nfs/dbraw/zinc/02/60/91/1127026091.db2.gz FVSLFHRVXQFNCF-IFXJQAMLSA-N 0 1 291.398 3.666 20 0 CHADMN Cc1ccn2cc(CN[C@@H]3CCCc4ccccc43)nc2c1 ZINC000268833997 1127026176 /nfs/dbraw/zinc/02/61/76/1127026176.db2.gz CWVFBGQLHVZFKW-GOSISDBHSA-N 0 1 291.398 3.810 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2cnn(C)c2C)o1 ZINC000268867942 1127026647 /nfs/dbraw/zinc/02/66/47/1127026647.db2.gz AHVCCGZOZHDLLD-LRDDRELGSA-N 0 1 287.407 3.603 20 0 CHADMN CCCCCC(C)(C)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268917086 1127028180 /nfs/dbraw/zinc/02/81/80/1127028180.db2.gz BWTCCHHZNFKZOM-CYBMUJFWSA-N 0 1 277.412 3.510 20 0 CHADMN CC(C)(C)c1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000269047585 1127033949 /nfs/dbraw/zinc/03/39/49/1127033949.db2.gz ZJSKGWXIXIQJMG-HNNXBMFYSA-N 0 1 297.402 3.515 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(F)cn2)cc1C ZINC000269048284 1127033987 /nfs/dbraw/zinc/03/39/87/1127033987.db2.gz YYXGHMXTDPCFCZ-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1nc([C@@H](C)N[C@H](C)COc2cccc(C)c2)cs1 ZINC000269456868 1127040028 /nfs/dbraw/zinc/04/00/28/1127040028.db2.gz XGDNHVRZTNRXEI-CHWSQXEVSA-N 0 1 290.432 3.878 20 0 CHADMN CC(C)Oc1ccccc1CN[C@H](c1ccccc1)[C@@H](C)O ZINC000668786392 1127038699 /nfs/dbraw/zinc/03/86/99/1127038699.db2.gz AJUKGGCLIIWCRR-BEFAXECRSA-N 0 1 299.414 3.686 20 0 CHADMN Cc1ccncc1CN(C)Cc1ccccc1N1CCCC1 ZINC000269426298 1127039333 /nfs/dbraw/zinc/03/93/33/1127039333.db2.gz KBVJBKLHBYXQOX-UHFFFAOYSA-N 0 1 295.430 3.622 20 0 CHADMN Cc1ccncc1CN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000269589977 1127042664 /nfs/dbraw/zinc/04/26/64/1127042664.db2.gz HWJBXYCVBRJCGD-RHSMWYFYSA-N 0 1 252.361 3.583 20 0 CHADMN COc1ncc(CN[C@@H](C)c2cccc(F)c2)cc1Cl ZINC000269756073 1127045252 /nfs/dbraw/zinc/04/52/52/1127045252.db2.gz FEVUQSMMKKWKKI-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN Cc1ccncc1CN[C@@H](c1ncccc1C)C(C)C ZINC000269678350 1127044809 /nfs/dbraw/zinc/04/48/09/1127044809.db2.gz ZFEHGVRUPOZSTL-MRXNPFEDSA-N 0 1 269.392 3.580 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1cc(Cl)nc2ccccc12 ZINC000815161883 1130963145 /nfs/dbraw/zinc/96/31/45/1130963145.db2.gz CYQNLYUPMHSDHQ-WDEREUQCSA-N 0 1 260.768 3.728 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C(C)C)cc2)cn1 ZINC000487941844 1127049967 /nfs/dbraw/zinc/04/99/67/1127049967.db2.gz FRWWPSXHMCQSOJ-UHFFFAOYSA-N 0 1 284.403 3.846 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(F)cc2C)c(C)n1 ZINC000487961200 1127050001 /nfs/dbraw/zinc/05/00/01/1127050001.db2.gz GUIMYOREJLKCBP-UHFFFAOYSA-N 0 1 272.367 3.778 20 0 CHADMN Cc1ccc2nc(CNC(=O)[C@@H](C)CC3CCCC3)[nH]c2c1 ZINC000174876285 1127049553 /nfs/dbraw/zinc/04/95/53/1127049553.db2.gz QFZSUDBHOSWMCZ-ZDUSSCGKSA-N 0 1 299.418 3.704 20 0 CHADMN Cc1ccc2nc(CNC(=O)[C@H](C)CC3CCCC3)[nH]c2c1 ZINC000174876298 1127049574 /nfs/dbraw/zinc/04/95/74/1127049574.db2.gz QFZSUDBHOSWMCZ-CYBMUJFWSA-N 0 1 299.418 3.704 20 0 CHADMN COc1cc(C)nc(CN2CCC[C@H]2c2ccsc2)c1 ZINC000270280042 1127052762 /nfs/dbraw/zinc/05/27/62/1127052762.db2.gz MFGPQMVFHAEAPT-INIZCTEOSA-N 0 1 288.416 3.797 20 0 CHADMN CC[C@H]1CCCCN1Cc1nc2c(cccc2F)n1CC ZINC000488042022 1127053724 /nfs/dbraw/zinc/05/37/24/1127053724.db2.gz LBDMLNWPJWAURJ-ZDUSSCGKSA-N 0 1 289.398 3.960 20 0 CHADMN COCCN(Cc1csc(C(C)C)n1)[C@H]1CCC[C@H]1C ZINC000488060654 1127054092 /nfs/dbraw/zinc/05/40/92/1127054092.db2.gz JFKXZJFREVQGCW-HIFRSBDPSA-N 0 1 296.480 3.904 20 0 CHADMN CCCc1nc(CN(CCOC)[C@@H]2CCC[C@@H]2C)cs1 ZINC000487951959 1127050290 /nfs/dbraw/zinc/05/02/90/1127050290.db2.gz IEKPDTWECVDVPU-DZGCQCFKSA-N 0 1 296.480 3.733 20 0 CHADMN COCCN(Cc1csc(C2CC2)n1)[C@@H]1CCC[C@H]1C ZINC000488013309 1127051814 /nfs/dbraw/zinc/05/18/14/1127051814.db2.gz WAKJGNQIHCMVMW-IUODEOHRSA-N 0 1 294.464 3.658 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccccc1)c1ccc(Cl)nc1 ZINC000270476911 1127055627 /nfs/dbraw/zinc/05/56/27/1127055627.db2.gz KAVKDCKWNIKFAJ-SWLSCSKDSA-N 0 1 290.794 3.509 20 0 CHADMN COc1ccc([C@@H]2CCN(Cc3ncc(C4CC4)o3)C2)cc1 ZINC000270626461 1127059039 /nfs/dbraw/zinc/05/90/39/1127059039.db2.gz PQLWNNVLWVMOJP-OAHLLOKOSA-N 0 1 298.386 3.550 20 0 CHADMN COc1ccc([C@H]2CCN(Cc3ncc(C4CC4)o3)C2)cc1 ZINC000270626458 1127058558 /nfs/dbraw/zinc/05/85/58/1127058558.db2.gz PQLWNNVLWVMOJP-HNNXBMFYSA-N 0 1 298.386 3.550 20 0 CHADMN CCC1(CO)CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000270729890 1127061425 /nfs/dbraw/zinc/06/14/25/1127061425.db2.gz GDXPMQFPLRAHNP-GFCCVEGCSA-N 0 1 283.362 3.510 20 0 CHADMN C[C@H]1CSCCN(Cc2cc(F)ccc2Cl)C1 ZINC000488219734 1127062548 /nfs/dbraw/zinc/06/25/48/1127062548.db2.gz MWZYRELSFIDDDK-SNVBAGLBSA-N 0 1 273.804 3.664 20 0 CHADMN C[C@H]1CSCCN(Cc2c(F)cccc2Cl)C1 ZINC000488206058 1127063034 /nfs/dbraw/zinc/06/30/34/1127063034.db2.gz ZJQKLOHQPMRGLK-SNVBAGLBSA-N 0 1 273.804 3.664 20 0 CHADMN CN(C)c1ncc(CN2CCC[C@@H]2c2cccs2)s1 ZINC000271042911 1127066078 /nfs/dbraw/zinc/06/60/78/1127066078.db2.gz PGPWNSIECLRUOI-GFCCVEGCSA-N 0 1 293.461 3.608 20 0 CHADMN CC(C)c1nc(CSc2cccc(Cl)c2)n[nH]1 ZINC000488261785 1127066631 /nfs/dbraw/zinc/06/66/31/1127066631.db2.gz GSWDVCSHHCMHEO-UHFFFAOYSA-N 0 1 267.785 3.874 20 0 CHADMN COCc1ccc(CN(Cc2cccs2)C(C)C)o1 ZINC000271070764 1127067292 /nfs/dbraw/zinc/06/72/92/1127067292.db2.gz LHFAVFBQAOBJAJ-UHFFFAOYSA-N 0 1 279.405 3.898 20 0 CHADMN CC(C)n1cc(CN2CCC[C@H]2c2ccc(F)cc2)cn1 ZINC000271050308 1127067369 /nfs/dbraw/zinc/06/73/69/1127067369.db2.gz VNKHRQUCNKSPLB-KRWDZBQOSA-N 0 1 287.382 3.940 20 0 CHADMN Cc1n[nH]cc1CN(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000271056482 1127067645 /nfs/dbraw/zinc/06/76/45/1127067645.db2.gz TZWXESYQAQMYET-NSHDSACASA-N 0 1 297.324 3.930 20 0 CHADMN CCCN(Cc1c[nH]nc1C)[C@@H](C)c1ccccc1OC ZINC000271103595 1127067944 /nfs/dbraw/zinc/06/79/44/1127067944.db2.gz QMDXKWYPACBSQN-AWEZNQCLSA-N 0 1 287.407 3.700 20 0 CHADMN C[C@H](NCCc1cccc(Cl)c1)c1cscn1 ZINC000271109559 1127068707 /nfs/dbraw/zinc/06/87/07/1127068707.db2.gz HAUIIEVMEQOCNZ-JTQLQIEISA-N 0 1 266.797 3.690 20 0 CHADMN Cc1ccc(O[C@@H](C)CN[C@H](C)c2cscn2)cc1 ZINC000271125054 1127069869 /nfs/dbraw/zinc/06/98/69/1127069869.db2.gz KIIJSHGVAGQEMY-QWHCGFSZSA-N 0 1 276.405 3.570 20 0 CHADMN c1cncc(-c2cccc(CN3CCO[C@H]4CCC[C@@H]43)c2)c1 ZINC000271133455 1127070096 /nfs/dbraw/zinc/07/00/96/1127070096.db2.gz RFUNHXOFAKUKNT-OALUTQOASA-N 0 1 294.398 3.502 20 0 CHADMN CCc1cc(C(=O)N2CCC[C@H]2CCC2CCCC2)n[nH]1 ZINC000488309482 1127073183 /nfs/dbraw/zinc/07/31/83/1127073183.db2.gz DNSFFKCUNVXGAF-HNNXBMFYSA-N 0 1 289.423 3.547 20 0 CHADMN CC[C@@H]1CCN(Cc2ccc(O)cc2OC(F)(F)F)C1 ZINC001236727873 1131000881 /nfs/dbraw/zinc/00/08/81/1131000881.db2.gz FPMJDSVUEOZYRX-SNVBAGLBSA-N 0 1 289.297 3.523 20 0 CHADMN CN(Cc1cncs1)Cc1cccc2occc21 ZINC001236739130 1131002637 /nfs/dbraw/zinc/00/26/37/1131002637.db2.gz LCNAHBKNFVXREM-UHFFFAOYSA-N 0 1 258.346 3.521 20 0 CHADMN CCOc1ccc(Cl)cc1[C@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000271406990 1127078424 /nfs/dbraw/zinc/07/84/24/1127078424.db2.gz ADHZZARPMJFULF-QWRGUYRKSA-N 0 1 293.798 3.874 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1C ZINC000271406946 1127078589 /nfs/dbraw/zinc/07/85/89/1127078589.db2.gz ACGMXOOIXCUYSG-KGLIPLIRSA-N 0 1 286.423 3.957 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000271415266 1127079626 /nfs/dbraw/zinc/07/96/26/1127079626.db2.gz ASALBETUNNOIJM-BZNIZROVSA-N 0 1 293.769 3.863 20 0 CHADMN CCOc1ccccc1CN[C@H](C)c1cnccc1C ZINC000271444731 1127081559 /nfs/dbraw/zinc/08/15/59/1127081559.db2.gz NBWCEMFDZNKJPK-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN CC[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(OC)cc1 ZINC000271446027 1127081578 /nfs/dbraw/zinc/08/15/78/1127081578.db2.gz CYJOSKOHLBQNMP-HOTGVXAUSA-N 0 1 285.391 3.537 20 0 CHADMN CCOc1ccccc1CN[C@@H](C)c1cnccc1C ZINC000271444730 1127081606 /nfs/dbraw/zinc/08/16/06/1127081606.db2.gz NBWCEMFDZNKJPK-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(OC(F)(F)F)c1)c1cn[nH]c1 ZINC000271451569 1127082910 /nfs/dbraw/zinc/08/29/10/1127082910.db2.gz GERZJMUVTHYFDM-VHSXEESVSA-N 0 1 299.296 3.720 20 0 CHADMN c1cc2c(s1)CCC[C@@H]2N[C@@H]1CCCc2c[nH]nc21 ZINC000271457351 1127083627 /nfs/dbraw/zinc/08/36/27/1127083627.db2.gz FNIVIRHWGMXDJA-QWHCGFSZSA-N 0 1 273.405 3.516 20 0 CHADMN CCc1nc([C@H](C)N[C@@H]2CC[C@H](C)c3ccccc32)n[nH]1 ZINC000271484716 1127085353 /nfs/dbraw/zinc/08/53/53/1127085353.db2.gz KAAPEPFQLLDAKL-SLEUVZQESA-N 0 1 284.407 3.656 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H](CO)c2ccc(F)cc2)cc1 ZINC000271483495 1127085406 /nfs/dbraw/zinc/08/54/06/1127085406.db2.gz NRZJCQXBCSWVKC-FZKQIMNGSA-N 0 1 287.378 3.772 20 0 CHADMN C[C@@H](NC1CC(c2ccccc2)C1)c1cscn1 ZINC000271485409 1127085663 /nfs/dbraw/zinc/08/56/63/1127085663.db2.gz OFGQNPPUCCZLMX-LMWSTFAQSA-N 0 1 258.390 3.740 20 0 CHADMN CO[C@H](CN[C@H](C)c1nccs1)c1ccc(Cl)cc1 ZINC000271494591 1127086539 /nfs/dbraw/zinc/08/65/39/1127086539.db2.gz KPJDAYLADJQGGK-ZWNOBZJWSA-N 0 1 296.823 3.835 20 0 CHADMN C[C@H](N[C@H]1CCCc2c[nH]nc21)c1cccc(Cl)c1 ZINC000271502217 1127087354 /nfs/dbraw/zinc/08/73/54/1127087354.db2.gz MBXNDKLGOWUDTO-HZMBPMFUSA-N 0 1 275.783 3.791 20 0 CHADMN CO[C@H](C)[C@@H](C)N[C@@H](C)c1c(F)cccc1Cl ZINC000271528492 1127088763 /nfs/dbraw/zinc/08/87/63/1127088763.db2.gz RNTQABOOKKATQT-KXUCPTDWSA-N 0 1 259.752 3.553 20 0 CHADMN COCCN(Cc1ncccc1C)[C@@H](C)c1ccccc1 ZINC000271534002 1127090070 /nfs/dbraw/zinc/09/00/70/1127090070.db2.gz OOEIPNSDVDGMBS-INIZCTEOSA-N 0 1 284.403 3.600 20 0 CHADMN Cc1cccc([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c1C ZINC000271541967 1127090777 /nfs/dbraw/zinc/09/07/77/1127090777.db2.gz QYSKVIRFGQSFJQ-UONOGXRCSA-N 0 1 286.423 3.957 20 0 CHADMN C[C@H](CN[C@@H](C)c1cscn1)Oc1ccccc1Cl ZINC000271567886 1127093021 /nfs/dbraw/zinc/09/30/21/1127093021.db2.gz YRPQXQKYKQGUBV-MNOVXSKESA-N 0 1 296.823 3.915 20 0 CHADMN COC(C)(C)CCSc1nnc(CCC2CCCC2)[nH]1 ZINC000570429786 1127097610 /nfs/dbraw/zinc/09/76/10/1127097610.db2.gz CBGOGTRFPGVPQP-UHFFFAOYSA-N 0 1 297.468 3.835 20 0 CHADMN COC(C)(C)CCSc1nc(CCC2CCCC2)n[nH]1 ZINC000570429786 1127097614 /nfs/dbraw/zinc/09/76/14/1127097614.db2.gz CBGOGTRFPGVPQP-UHFFFAOYSA-N 0 1 297.468 3.835 20 0 CHADMN O=C(CC1CCCCCC1)Nc1ccccc1-c1nnc[nH]1 ZINC000271593086 1127093954 /nfs/dbraw/zinc/09/39/54/1127093954.db2.gz KGUCXFNIEPAQFD-UHFFFAOYSA-N 0 1 298.390 3.771 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)N[C@H](C)c2cnccc2C)c1 ZINC000271593621 1127094196 /nfs/dbraw/zinc/09/41/96/1127094196.db2.gz SSAYVMYRQPLECV-UONOGXRCSA-N 0 1 297.402 3.760 20 0 CHADMN CCc1noc(C)c1CN[C@H](CC)c1ccc(OC)cc1 ZINC000271655038 1127096176 /nfs/dbraw/zinc/09/61/76/1127096176.db2.gz JXTRCQLBZMSVCO-MRXNPFEDSA-N 0 1 288.391 3.795 20 0 CHADMN COCc1ccc(CNCc2c(C)oc3ccccc32)o1 ZINC000274265749 1127111495 /nfs/dbraw/zinc/11/14/95/1127111495.db2.gz PERFQSKCUQNWNW-UHFFFAOYSA-N 0 1 285.343 3.770 20 0 CHADMN C[C@@H](NCc1ccc(C(F)F)cc1)c1cncs1 ZINC000274325413 1127112302 /nfs/dbraw/zinc/11/23/02/1127112302.db2.gz YPYYSVNWHCPLNI-SECBINFHSA-N 0 1 268.332 3.932 20 0 CHADMN CC[N@@H+](Cc1cncc(F)c1)[C@H](C)c1cccc(O)c1 ZINC000274320666 1127112418 /nfs/dbraw/zinc/11/24/18/1127112418.db2.gz CRPBJLHUPRIMJE-GFCCVEGCSA-N 0 1 274.339 3.509 20 0 CHADMN CCN(Cc1cncc(F)c1)[C@H](C)c1cccc(O)c1 ZINC000274320666 1127112420 /nfs/dbraw/zinc/11/24/20/1127112420.db2.gz CRPBJLHUPRIMJE-GFCCVEGCSA-N 0 1 274.339 3.509 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCCCCCC2)n1 ZINC000912885365 1127115424 /nfs/dbraw/zinc/11/54/24/1127115424.db2.gz QOCNIDIAQZHUCY-CYBMUJFWSA-N 0 1 265.401 3.739 20 0 CHADMN Cc1ccc([C@H](C)NCc2cn(C)nc2C(F)F)cc1 ZINC000274448728 1127120562 /nfs/dbraw/zinc/12/05/62/1127120562.db2.gz DQDUGZSPWBSHHX-NSHDSACASA-N 0 1 279.334 3.517 20 0 CHADMN Fc1cccc2c1CCCN2Cc1ccc2nc[nH]c2c1 ZINC000543739274 1127123375 /nfs/dbraw/zinc/12/33/75/1127123375.db2.gz XIXGBCPPNYBCSX-UHFFFAOYSA-N 0 1 281.334 3.655 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)[nH]1 ZINC000283236015 1127126195 /nfs/dbraw/zinc/12/61/95/1127126195.db2.gz TXKKDYBRUOSEKJ-GHJWDPDVSA-N 0 1 297.402 3.522 20 0 CHADMN Cc1cccn2c(CN3CCC=C(c4ccco4)C3)cnc12 ZINC000348666934 1127124311 /nfs/dbraw/zinc/12/43/11/1127124311.db2.gz CGVDIJBBTHXGAS-UHFFFAOYSA-N 0 1 293.370 3.525 20 0 CHADMN CCOC1CC2(C1)CCN(Cc1ccsc1Cl)C2 ZINC000348878597 1127132688 /nfs/dbraw/zinc/13/26/88/1127132688.db2.gz QRANLSJWMHBZIY-UHFFFAOYSA-N 0 1 285.840 3.793 20 0 CHADMN CCOc1cccc(CN2CCC[C@@H]2c2cccnc2)c1 ZINC000348933171 1127135750 /nfs/dbraw/zinc/13/57/50/1127135750.db2.gz IEFIOAOKGJWRQT-GOSISDBHSA-N 0 1 282.387 3.817 20 0 CHADMN O=C(CCN1CCc2ccsc2C1)c1ccc(F)cc1 ZINC000348957169 1127135962 /nfs/dbraw/zinc/13/59/62/1127135962.db2.gz PFEXVZUIMMZDQB-UHFFFAOYSA-N 0 1 289.375 3.518 20 0 CHADMN C(=C\c1ccccc1)\CN(Cc1cccnc1)C1CC1 ZINC000349234681 1127144503 /nfs/dbraw/zinc/14/45/03/1127144503.db2.gz ATDCVYALRDTLRO-UITAMQMPSA-N 0 1 264.372 3.759 20 0 CHADMN CC(C)N(CCc1ccccc1)Cc1ncc(Cl)n1C ZINC001320748977 1127140541 /nfs/dbraw/zinc/14/05/41/1127140541.db2.gz HNAPUDVAWNFXFJ-UHFFFAOYSA-N 0 1 291.826 3.527 20 0 CHADMN CCc1ccc(CN(Cc2cccnc2)C(C)C)o1 ZINC000349276930 1127145134 /nfs/dbraw/zinc/14/51/34/1127145134.db2.gz KXXBIDWHMOBGSS-UHFFFAOYSA-N 0 1 258.365 3.648 20 0 CHADMN CC(C)(C)CC(C)(C)NCc1nnc(C(F)(F)F)s1 ZINC000659872536 1127145343 /nfs/dbraw/zinc/14/53/43/1127145343.db2.gz DFPOFGHXLWSYTM-UHFFFAOYSA-N 0 1 295.374 3.861 20 0 CHADMN C[C@H](N[C@H](CO)c1ccsc1)c1ccc2c(c1)CCC2 ZINC000349317242 1127147539 /nfs/dbraw/zinc/14/75/39/1127147539.db2.gz YOQKJPKQBPQCLM-YVEFUNNKSA-N 0 1 287.428 3.621 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccsc1)c1ccccc1OC ZINC000349344291 1127148301 /nfs/dbraw/zinc/14/83/01/1127148301.db2.gz RVMKTIXIUPUNBK-HUUCEWRRSA-N 0 1 291.416 3.531 20 0 CHADMN C[C@H](N[C@H](CO)c1ccsc1)c1ccc(F)c(Cl)c1 ZINC000349359497 1127149418 /nfs/dbraw/zinc/14/94/18/1127149418.db2.gz YPUPOLDORCTRLJ-LKFCYVNXSA-N 0 1 299.798 3.925 20 0 CHADMN Cc1cc(-c2noc([C@@H]3C[C@H]3C(C)C)n2)cc2nc[nH]c21 ZINC000570968510 1127150977 /nfs/dbraw/zinc/15/09/77/1127150977.db2.gz GAPKTLVZWWMSHH-NWDGAFQWSA-N 0 1 282.347 3.681 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N(CC1CC1)C1CCCCC1 ZINC000068159147 1127155313 /nfs/dbraw/zinc/15/53/13/1127155313.db2.gz KCNMEDYAAMEKHG-UHFFFAOYSA-N 0 1 297.402 3.748 20 0 CHADMN FC(F)SCc1ccc(CN[C@@H]2C=CCC2)o1 ZINC000698173794 1127159245 /nfs/dbraw/zinc/15/92/45/1127159245.db2.gz BWOPVLVQVOPCRZ-SECBINFHSA-N 0 1 259.321 3.544 20 0 CHADMN Cn1c2ccccc2nc1CN1CCC[C@@H]1c1ccccc1 ZINC000349763786 1127159882 /nfs/dbraw/zinc/15/98/82/1127159882.db2.gz KHDVUQPFSGVUKM-QGZVFWFLSA-N 0 1 291.398 3.910 20 0 CHADMN Cc1cc([C@@H](C)NCC(C)(C)c2cccs2)no1 ZINC000283863504 1127159897 /nfs/dbraw/zinc/15/98/97/1127159897.db2.gz BOSRDMAFIIQHKA-LLVKDONJSA-N 0 1 264.394 3.673 20 0 CHADMN CC(C)[N@@H+](Cc1ccco1)Cc1cc2ccccc2[nH]c1=O ZINC000349817918 1127162868 /nfs/dbraw/zinc/16/28/68/1127162868.db2.gz DIHUVRYWMHPIFB-UHFFFAOYSA-N 0 1 296.370 3.944 20 0 CHADMN CC(C)[N@@H+](Cc1ccco1)Cc1ccccc1N(C)C ZINC000349819773 1127162964 /nfs/dbraw/zinc/16/29/64/1127162964.db2.gz QGEIVOSTXUFRPN-UHFFFAOYSA-N 0 1 272.392 3.756 20 0 CHADMN CC(C)N(Cc1ccco1)Cc1ccccc1N(C)C ZINC000349819773 1127162965 /nfs/dbraw/zinc/16/29/65/1127162965.db2.gz QGEIVOSTXUFRPN-UHFFFAOYSA-N 0 1 272.392 3.756 20 0 CHADMN Cc1cc(CNC2(c3ccc(F)cc3)CC2)cnc1Cl ZINC000760668525 1127163302 /nfs/dbraw/zinc/16/33/02/1127163302.db2.gz AHDLAQARIKLMBK-UHFFFAOYSA-N 0 1 290.769 3.961 20 0 CHADMN CC[C@@H](N[C@H](C)c1snnc1C)c1ccccc1 ZINC000930187814 1127166775 /nfs/dbraw/zinc/16/67/75/1127166775.db2.gz HFMODYWEINVYAT-ZWNOBZJWSA-N 0 1 261.394 3.648 20 0 CHADMN Clc1ccc(CCCCNCc2cscn2)s1 ZINC000283967752 1127166877 /nfs/dbraw/zinc/16/68/77/1127166877.db2.gz NMMJYDVQLWNXJG-UHFFFAOYSA-N 0 1 286.853 3.971 20 0 CHADMN Cc1ccc(NS(=O)(=O)c2ccsc2)cc1Cl ZINC000349944419 1127168633 /nfs/dbraw/zinc/16/86/33/1127168633.db2.gz FQAFJMIVIKRNTQ-UHFFFAOYSA-N 0 1 287.793 3.511 20 0 CHADMN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccoc1 ZINC000349947958 1127168886 /nfs/dbraw/zinc/16/88/86/1127168886.db2.gz OYSGSHOTMJUBPY-UHFFFAOYSA-N 0 1 299.351 3.747 20 0 CHADMN Cc1nc(CN(C)C[C@@H]2C[C@@H]2c2ccccc2)cs1 ZINC000349992880 1127169910 /nfs/dbraw/zinc/16/99/10/1127169910.db2.gz VEGSRZAKHGOYEC-GOEBONIOSA-N 0 1 272.417 3.687 20 0 CHADMN C[C@@H](NCc1ccc(C(C)(C)C)cc1)c1ccnnc1 ZINC000924858715 1127170628 /nfs/dbraw/zinc/17/06/28/1127170628.db2.gz PZGWJIKMPXJLFN-CYBMUJFWSA-N 0 1 269.392 3.625 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2cn3c(n2)CCCC3)c(C)c1 ZINC000924858744 1127170641 /nfs/dbraw/zinc/17/06/41/1127170641.db2.gz MIGFOPRLNKGXCZ-INIZCTEOSA-N 0 1 297.446 3.995 20 0 CHADMN C[C@H](NCc1ccc(C(C)(C)C)cc1)c1ccnnc1 ZINC000924858717 1127170825 /nfs/dbraw/zinc/17/08/25/1127170825.db2.gz PZGWJIKMPXJLFN-ZDUSSCGKSA-N 0 1 269.392 3.625 20 0 CHADMN C[C@@H](NCc1ccnc(OC(F)F)c1)c1ccccc1F ZINC000284101729 1127173893 /nfs/dbraw/zinc/17/38/93/1127173893.db2.gz LFUNBOYMKCWUCM-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN COc1ccccc1CN(C)Cc1ccsc1C ZINC000350224435 1127175307 /nfs/dbraw/zinc/17/53/07/1127175307.db2.gz VZHZLGGXZUVCML-UHFFFAOYSA-N 0 1 261.390 3.697 20 0 CHADMN CCn1ccnc1CN[C@H](CC1CCC1)c1ccccc1 ZINC000350312288 1127177605 /nfs/dbraw/zinc/17/76/05/1127177605.db2.gz OFXRWGBEVLTQHK-QGZVFWFLSA-N 0 1 283.419 3.924 20 0 CHADMN Cc1nccc(N2CCC[C@H](C(F)(F)F)C2)c1Cl ZINC000350311511 1127177613 /nfs/dbraw/zinc/17/76/13/1127177613.db2.gz IBSKXYRJXOBLJP-VIFPVBQESA-N 0 1 278.705 3.822 20 0 CHADMN NCc1ccc(-c2nc(C3CCCCCCC3)no2)o1 ZINC000156711418 1127178511 /nfs/dbraw/zinc/17/85/11/1127178511.db2.gz RJTNMZAUGYLMQV-UHFFFAOYSA-N 0 1 275.352 3.616 20 0 CHADMN CCc1cnc(CN2CC[C@@H](c3ccc(CC)cc3)C2)o1 ZINC000571856929 1127179169 /nfs/dbraw/zinc/17/91/69/1127179169.db2.gz RDTABUQXADEMMS-MRXNPFEDSA-N 0 1 284.403 3.789 20 0 CHADMN C[C@H](c1ccccn1)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000284374147 1127182121 /nfs/dbraw/zinc/18/21/21/1127182121.db2.gz FEUPDKOKOUWMGG-KGYLQXTDSA-N 0 1 285.218 3.658 20 0 CHADMN CC(C)N(Cc1nc2c(s1)C[C@@H](C)CC2)C1CC1 ZINC000351028496 1127184756 /nfs/dbraw/zinc/18/47/56/1127184756.db2.gz SACLTEHHBBVYML-NSHDSACASA-N 0 1 264.438 3.641 20 0 CHADMN Cc1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)o1 ZINC000284474003 1127185432 /nfs/dbraw/zinc/18/54/32/1127185432.db2.gz VYAXKLWENBODPA-NEPJUHHUSA-N 0 1 274.191 3.604 20 0 CHADMN CCC[C@H]1CCCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000284486727 1127186529 /nfs/dbraw/zinc/18/65/29/1127186529.db2.gz UCWQZBXVSWRYAJ-ZDUSSCGKSA-N 0 1 285.391 3.524 20 0 CHADMN COc1ccc(CNc2nccn2CC(C)C)cc1Cl ZINC000351545112 1127192538 /nfs/dbraw/zinc/19/25/38/1127192538.db2.gz KGDDVULANBQQJU-UHFFFAOYSA-N 0 1 293.798 3.813 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2conc2C)s1 ZINC000351453973 1127189044 /nfs/dbraw/zinc/18/90/44/1127189044.db2.gz QSUJFDWJWDVLEL-ZDUSSCGKSA-N 0 1 262.378 3.690 20 0 CHADMN CCO[C@H]1C[C@H](N(C)Cc2cc(C)no2)C12CCCCC2 ZINC000351512046 1127190762 /nfs/dbraw/zinc/19/07/62/1127190762.db2.gz DOQQTKXVKHLBGV-HOTGVXAUSA-N 0 1 292.423 3.543 20 0 CHADMN C[C@@H](NCc1ccnc(OC(F)F)c1)c1cccc(F)c1 ZINC000284577496 1127190883 /nfs/dbraw/zinc/19/08/83/1127190883.db2.gz XFHYEMBPVIMAQQ-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN C[C@H]1c2cc(F)cc(F)c2CCN1CCc1ccncc1 ZINC000351526169 1127191511 /nfs/dbraw/zinc/19/15/11/1127191511.db2.gz WMSVTNQXPHBGAE-LBPRGKRZSA-N 0 1 288.341 3.522 20 0 CHADMN CC(C)Cn1ccnc1NCc1cccc(Cl)c1F ZINC000351541549 1127192270 /nfs/dbraw/zinc/19/22/70/1127192270.db2.gz ALQJEGIMWREIKG-UHFFFAOYSA-N 0 1 281.762 3.944 20 0 CHADMN Cc1ncsc1CSc1nc(-c2ccccc2)n[nH]1 ZINC000351554439 1127193273 /nfs/dbraw/zinc/19/32/73/1127193273.db2.gz ICVAKUXPLNSQMZ-UHFFFAOYSA-N 0 1 288.401 3.529 20 0 CHADMN CC(C)Cn1ccnc1NCc1ccsc1Cl ZINC000351568003 1127194488 /nfs/dbraw/zinc/19/44/88/1127194488.db2.gz LRKDIUCZCWAURL-UHFFFAOYSA-N 0 1 269.801 3.866 20 0 CHADMN C[C@@H]1OCCN(Cc2ccc(C3CCC3)cc2)[C@H]1C ZINC000351599080 1127197421 /nfs/dbraw/zinc/19/74/21/1127197421.db2.gz AVWRUWGBMGVBQB-KBPBESRZSA-N 0 1 259.393 3.563 20 0 CHADMN Cc1nccc(CN(Cc2ccoc2)C2CCCCC2)n1 ZINC000351641971 1127201000 /nfs/dbraw/zinc/20/10/00/1127201000.db2.gz RIGUPWUDJUXKEJ-UHFFFAOYSA-N 0 1 285.391 3.713 20 0 CHADMN Fc1ccccc1CN(Cc1cnc[nH]1)Cc1ccccc1 ZINC000351663169 1127201725 /nfs/dbraw/zinc/20/17/25/1127201725.db2.gz BXMABNPFVALVKG-UHFFFAOYSA-N 0 1 295.361 3.751 20 0 CHADMN CC1(C)CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000588904899 1127203850 /nfs/dbraw/zinc/20/38/50/1127203850.db2.gz MUSFZXCSEOPTCV-UHFFFAOYSA-N 0 1 270.376 3.964 20 0 CHADMN Cc1ccc(-c2noc(CN3CCC(C)(C)CC3)n2)cc1 ZINC000588903571 1127203880 /nfs/dbraw/zinc/20/38/80/1127203880.db2.gz DQHVNVQFCSMYDS-UHFFFAOYSA-N 0 1 285.391 3.667 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2CCC(C)(C)CC2)cc1F ZINC000588905071 1127204763 /nfs/dbraw/zinc/20/47/63/1127204763.db2.gz WURZDDLXXWXBBH-ZDUSSCGKSA-N 0 1 292.398 3.583 20 0 CHADMN CCn1cc(CCN2CC[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000284846857 1127209208 /nfs/dbraw/zinc/20/92/08/1127209208.db2.gz CKCUHOYSUMHTAT-MRXNPFEDSA-N 0 1 289.810 3.546 20 0 CHADMN Cc1c(Cl)cccc1CN(CCO)Cc1cccs1 ZINC001237738821 1131135946 /nfs/dbraw/zinc/13/59/46/1131135946.db2.gz VUWUCZQAYDMSJA-UHFFFAOYSA-N 0 1 295.835 3.704 20 0 CHADMN FCCCCN1CCc2c(Br)cccc2C1 ZINC000351859873 1127211662 /nfs/dbraw/zinc/21/16/62/1127211662.db2.gz PAHKCFUBPFSIKF-UHFFFAOYSA-N 0 1 286.188 3.557 20 0 CHADMN C[C@@H](F)CCN1CCc2c(F)cc(F)cc2[C@H]1C ZINC000351879177 1127213069 /nfs/dbraw/zinc/21/30/69/1127213069.db2.gz HKZGAJKFHXGKSQ-NXEZZACHSA-N 0 1 257.299 3.632 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1nc2c(s1)CCCC2 ZINC000589206578 1127215852 /nfs/dbraw/zinc/21/58/52/1127215852.db2.gz RIXSIKSYCMCLBS-NSHDSACASA-N 0 1 284.494 3.595 20 0 CHADMN CN(CCC(F)(F)F)[C@@H]1CCc2c1cccc2F ZINC001116326292 1131141018 /nfs/dbraw/zinc/14/10/18/1131141018.db2.gz PSUMQHCWDVXYHK-GFCCVEGCSA-N 0 1 261.262 3.697 20 0 CHADMN COc1ccoc1CN1CCC[C@@H]1c1cccs1 ZINC001237870867 1131147907 /nfs/dbraw/zinc/14/79/07/1131147907.db2.gz GVNFCLAIOHGNMG-LLVKDONJSA-N 0 1 263.362 3.687 20 0 CHADMN CC(C)c1ocnc1CSc1nc(C(C)(C)C)n[nH]1 ZINC001116452773 1131147965 /nfs/dbraw/zinc/14/79/65/1131147965.db2.gz QGTUDONGPKAFDR-UHFFFAOYSA-N 0 1 280.397 3.506 20 0 CHADMN CC(C)c1ocnc1CSc1n[nH]c(C(C)(C)C)n1 ZINC001116452773 1131147967 /nfs/dbraw/zinc/14/79/67/1131147967.db2.gz QGTUDONGPKAFDR-UHFFFAOYSA-N 0 1 280.397 3.506 20 0 CHADMN CC(=O)c1cc(CN2CCCC[C@H]2CCC(C)C)on1 ZINC000572778023 1127226007 /nfs/dbraw/zinc/22/60/07/1127226007.db2.gz YPVPDEYPTWMRBD-AWEZNQCLSA-N 0 1 278.396 3.668 20 0 CHADMN CCC(=O)CCCSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000352373834 1127227080 /nfs/dbraw/zinc/22/70/80/1127227080.db2.gz QFPBMZDIQQSEBM-UHFFFAOYSA-N 0 1 289.404 3.632 20 0 CHADMN Fc1ccc(CN(Cc2cnc[nH]2)CC2CC2)c(Cl)c1 ZINC000285448004 1127228310 /nfs/dbraw/zinc/22/83/10/1127228310.db2.gz YEYCDLXMNUBVPC-UHFFFAOYSA-N 0 1 293.773 3.614 20 0 CHADMN COC(=O)c1cccc(Cl)c1CN1CCCC12CCC2 ZINC000352413427 1127230554 /nfs/dbraw/zinc/23/05/54/1127230554.db2.gz OVFLUCAOKURJNO-UHFFFAOYSA-N 0 1 293.794 3.645 20 0 CHADMN Clc1ccc(CNCc2cccc3[nH]ccc32)o1 ZINC000589635059 1127230828 /nfs/dbraw/zinc/23/08/28/1127230828.db2.gz IUVHAQKJGXBRNO-UHFFFAOYSA-N 0 1 260.724 3.704 20 0 CHADMN CCc1nnc(CN2CCC[C@](C)(c3ccccc3)CC2)o1 ZINC000285400698 1127225728 /nfs/dbraw/zinc/22/57/28/1127225728.db2.gz OREYPWQNJQYADR-SFHVURJKSA-N 0 1 299.418 3.576 20 0 CHADMN Cc1noc([C@@H]2CCCN2Cc2c(C)cc(C)cc2C)n1 ZINC000285484137 1127231906 /nfs/dbraw/zinc/23/19/06/1127231906.db2.gz BSFOFCISMLLODF-INIZCTEOSA-N 0 1 285.391 3.640 20 0 CHADMN COc1ccc(C)cc1CNCc1ccc2cccnc2c1 ZINC000589644500 1127232299 /nfs/dbraw/zinc/23/22/99/1127232299.db2.gz AUGWIZVFMIYAQK-UHFFFAOYSA-N 0 1 292.382 3.842 20 0 CHADMN COc1ccccc1[C@@H]1CC[C@H](C)CN1Cc1ccno1 ZINC000285493681 1127233193 /nfs/dbraw/zinc/23/31/93/1127233193.db2.gz POZUOCGTVJFSTA-BBRMVZONSA-N 0 1 286.375 3.656 20 0 CHADMN Cc1noc(C)c1CNCc1ccc2sccc2c1 ZINC000352447272 1127233217 /nfs/dbraw/zinc/23/32/17/1127233217.db2.gz JSOKDIJEEXSCIJ-UHFFFAOYSA-N 0 1 272.373 3.796 20 0 CHADMN CC[C@H](NCc1nn(C)c2ccccc12)c1ccc(F)cc1 ZINC000589647237 1127233335 /nfs/dbraw/zinc/23/33/35/1127233335.db2.gz OWLSJKSICLIDTE-INIZCTEOSA-N 0 1 297.377 3.953 20 0 CHADMN Cc1cc(CN[C@H]2CCSc3ccc(Cl)cc32)[nH]n1 ZINC000589645380 1127233623 /nfs/dbraw/zinc/23/36/23/1127233623.db2.gz MKWLRZNMERBDBE-ZDUSSCGKSA-N 0 1 293.823 3.698 20 0 CHADMN Cc1cc(CN[C@H]2CCSc3ccc(Cl)cc32)n[nH]1 ZINC000589645380 1127233625 /nfs/dbraw/zinc/23/36/25/1127233625.db2.gz MKWLRZNMERBDBE-ZDUSSCGKSA-N 0 1 293.823 3.698 20 0 CHADMN CCCn1cc(CN[C@@H]2CCc3sc(Cl)cc32)cn1 ZINC000352455607 1127234350 /nfs/dbraw/zinc/23/43/50/1127234350.db2.gz ZRZFGTFORSTRRG-GFCCVEGCSA-N 0 1 295.839 3.785 20 0 CHADMN Cc1ccnc([C@H](C)NCc2ccc(F)c(C)c2)c1 ZINC000285553725 1127237051 /nfs/dbraw/zinc/23/70/51/1127237051.db2.gz GUDLEGJWNIXSQE-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN C[C@@H](N[C@@H]1C=CCC1)c1ccccc1Br ZINC000698247212 1127238261 /nfs/dbraw/zinc/23/82/61/1127238261.db2.gz FRDNQUUSVKNJIN-GHMZBOCLSA-N 0 1 266.182 3.818 20 0 CHADMN CCOC1CC2(C1)CCN(Cc1ccc(Cl)c(F)c1)C2 ZINC000285598007 1127239191 /nfs/dbraw/zinc/23/91/91/1127239191.db2.gz WKFZBMIVTZJPKL-UHFFFAOYSA-N 0 1 297.801 3.870 20 0 CHADMN Cc1ccnc([C@H](C)NCc2cccc(Cl)c2)c1 ZINC000285606669 1127239236 /nfs/dbraw/zinc/23/92/36/1127239236.db2.gz KAKXKXNELFIXLJ-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN Fc1cccc(CN[C@@H](c2ncc[nH]2)C2CCCCC2)c1 ZINC000285723950 1127241811 /nfs/dbraw/zinc/24/18/11/1127241811.db2.gz QHKWBZJDAGGTEA-MRXNPFEDSA-N 0 1 287.382 3.960 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](C)c1ccccc1C(F)(F)F ZINC000352835873 1127246125 /nfs/dbraw/zinc/24/61/25/1127246125.db2.gz LKAGCEIDBPADCP-JTQLQIEISA-N 0 1 283.297 3.588 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(-c2ccco2)cc1F ZINC000352860988 1127246709 /nfs/dbraw/zinc/24/67/09/1127246709.db2.gz DNZVSMAIHAZZNG-UHFFFAOYSA-N 0 1 271.295 3.729 20 0 CHADMN C[C@@]1(CCCO)CCCN1Cc1c(F)cccc1Cl ZINC000352880902 1127248217 /nfs/dbraw/zinc/24/82/17/1127248217.db2.gz YDHSSIQAQJHMAI-HNNXBMFYSA-N 0 1 285.790 3.606 20 0 CHADMN c1ccc(-c2n[nH]c(S[C@@H]3C=CCCC3)n2)cc1 ZINC000590385328 1127256300 /nfs/dbraw/zinc/25/63/00/1127256300.db2.gz HFXDKWKPCYTORE-GFCCVEGCSA-N 0 1 257.362 3.673 20 0 CHADMN c1nc(CN2CCC(c3cccc4ccccc43)CC2)c[nH]1 ZINC000352976679 1127255123 /nfs/dbraw/zinc/25/51/23/1127255123.db2.gz MCEHCRQSUYVATB-UHFFFAOYSA-N 0 1 291.398 3.943 20 0 CHADMN Fc1cc(Cl)c(CN2C3CCCC2CCC3)cn1 ZINC001238031522 1131163815 /nfs/dbraw/zinc/16/38/15/1131163815.db2.gz XDGPWWULUDTEMO-UHFFFAOYSA-N 0 1 268.763 3.781 20 0 CHADMN Cc1ccnc([C@H](C)N[C@H]2CCc3c2cccc3F)c1 ZINC000286124056 1127259603 /nfs/dbraw/zinc/25/96/03/1127259603.db2.gz OFSDYSLRIMOLEU-LRDDRELGSA-N 0 1 270.351 3.867 20 0 CHADMN COC(=O)c1coc(C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)c1 ZINC000353227662 1127264732 /nfs/dbraw/zinc/26/47/32/1127264732.db2.gz IKTREDNIZXRFMQ-SUMWQHHRSA-N 0 1 299.370 3.649 20 0 CHADMN COC(=O)c1ccoc1CN1C[C@H](C)C[C@H]1c1ccccc1 ZINC000353223439 1127265072 /nfs/dbraw/zinc/26/50/72/1127265072.db2.gz AQSXWGCSYGLLFY-CJNGLKHVSA-N 0 1 299.370 3.649 20 0 CHADMN COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1cc(C)no1 ZINC000353241228 1127265401 /nfs/dbraw/zinc/26/54/01/1127265401.db2.gz FEPAUAMIELCYMZ-INIZCTEOSA-N 0 1 286.375 3.504 20 0 CHADMN CCOc1ccc([C@H](C)NCc2ccc3cc[nH]c3n2)cc1 ZINC000353592724 1127270946 /nfs/dbraw/zinc/27/09/46/1127270946.db2.gz BQUPCKSFOPPWDI-ZDUSSCGKSA-N 0 1 295.386 3.812 20 0 CHADMN CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000286698117 1127271984 /nfs/dbraw/zinc/27/19/84/1127271984.db2.gz IWQLHBAJPOCSIS-CLAHSXSESA-N 0 1 285.746 3.805 20 0 CHADMN Fc1cccc(Cl)c1CN1CCC2(CCC2)C1 ZINC000353669836 1127272654 /nfs/dbraw/zinc/27/26/54/1127272654.db2.gz JGLWHFBFOJIVKS-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN Fc1ccc(Br)cc1CN1CCC[C@H]1C1CC1 ZINC000590788056 1127272901 /nfs/dbraw/zinc/27/29/01/1127272901.db2.gz SWCXPVIPJFGLJC-AWEZNQCLSA-N 0 1 298.199 3.963 20 0 CHADMN COc1cc([C@@H](C)N[C@H](C)c2cccs2)c(F)cn1 ZINC000286903934 1127275953 /nfs/dbraw/zinc/27/59/53/1127275953.db2.gz JSOUKJWRIGJORF-NXEZZACHSA-N 0 1 280.368 3.703 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)C12CCC(CC1)C2 ZINC000353897114 1127276819 /nfs/dbraw/zinc/27/68/19/1127276819.db2.gz YNEFMYSXBIHQCA-UHFFFAOYSA-N 0 1 283.730 3.704 20 0 CHADMN CC[C@@H]1CN(Cc2ccc([C@H]3C[C@@H]3C)o2)CCS1 ZINC000353902780 1127277371 /nfs/dbraw/zinc/27/73/71/1127277371.db2.gz VCHVUKFBWBHBIY-YUTCNCBUSA-N 0 1 265.422 3.730 20 0 CHADMN C[C@@H](C(=O)Nc1cc(Cl)c(O)cc1F)C(C)(C)C ZINC000286972910 1127278255 /nfs/dbraw/zinc/27/82/55/1127278255.db2.gz RERLTXXVLLXSTN-ZETCQYMHSA-N 0 1 273.735 3.805 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1cccc(F)c1F ZINC000353949189 1127281533 /nfs/dbraw/zinc/28/15/33/1127281533.db2.gz AGJDCVZQOZPRJF-LLVKDONJSA-N 0 1 273.392 3.928 20 0 CHADMN OC[C@]1(F)CCCN(C(c2ccccc2)c2ccccc2)C1 ZINC000287034042 1127283112 /nfs/dbraw/zinc/28/31/12/1127283112.db2.gz SMZOUCDGBUHJSL-IBGZPJMESA-N 0 1 299.389 3.572 20 0 CHADMN CN(Cc1ccc[nH]1)Cc1cccc(-c2ccccn2)c1 ZINC000354026199 1127286146 /nfs/dbraw/zinc/28/61/46/1127286146.db2.gz PIGAMSWWDOYELP-UHFFFAOYSA-N 0 1 277.371 3.709 20 0 CHADMN Cc1ccc(CN2C[C@@H](C)[C@H]2c2ccccc2)nc1 ZINC000354035605 1127287119 /nfs/dbraw/zinc/28/71/19/1127287119.db2.gz ZRAVOSKSJHSRHY-PBHICJAKSA-N 0 1 252.361 3.583 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1Cc1csc(COC)n1 ZINC000354034895 1127287629 /nfs/dbraw/zinc/28/76/29/1127287629.db2.gz UQKRNQJXRVQVGV-JSGCOSHPSA-N 0 1 282.453 3.690 20 0 CHADMN CC[C@@H](CC(=O)NC[C@H](c1ccsc1)N(C)C)C(C)C ZINC000591126014 1127288377 /nfs/dbraw/zinc/28/83/77/1127288377.db2.gz RFQCUZCMQMGIGD-DZGCQCFKSA-N 0 1 296.480 3.539 20 0 CHADMN CC[C@@]1(C)CCN(Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354077848 1127290819 /nfs/dbraw/zinc/29/08/19/1127290819.db2.gz JKAFZRHRMGPRRK-HIFRSBDPSA-N 0 1 280.437 3.617 20 0 CHADMN CSC[C@@H]1CCCN1Cc1cccc(Cl)c1F ZINC000354073978 1127290095 /nfs/dbraw/zinc/29/00/95/1127290095.db2.gz RVMWLTOKSMNPAS-NSHDSACASA-N 0 1 273.804 3.807 20 0 CHADMN COCCN(Cc1ccc(C)o1)Cc1coc2ccccc12 ZINC000354115727 1127293793 /nfs/dbraw/zinc/29/37/93/1127293793.db2.gz GWLRKEIPUOASSE-UHFFFAOYSA-N 0 1 299.370 3.983 20 0 CHADMN COCCN(Cc1ccc(C)o1)Cc1cccc2cc[nH]c21 ZINC000354126700 1127294621 /nfs/dbraw/zinc/29/46/21/1127294621.db2.gz KUCRFXARXRLMNZ-UHFFFAOYSA-N 0 1 298.386 3.718 20 0 CHADMN CN(Cc1ccc(F)c(C(F)(F)F)c1F)CC1CC1 ZINC001238247218 1131186155 /nfs/dbraw/zinc/18/61/55/1131186155.db2.gz LYENPVCDODSKNV-UHFFFAOYSA-N 0 1 279.252 3.825 20 0 CHADMN c1cc2c(cccc2CN2CCOC[C@@H]2c2ccccc2)[nH]1 ZINC000354131688 1127295736 /nfs/dbraw/zinc/29/57/36/1127295736.db2.gz RWRKCUMDQYSBRL-LJQANCHMSA-N 0 1 292.382 3.741 20 0 CHADMN CC(C)(C)[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000591238835 1127291739 /nfs/dbraw/zinc/29/17/39/1127291739.db2.gz XXYHXIWTXTYYIE-MRXNPFEDSA-N 0 1 297.402 3.727 20 0 CHADMN Cc1cc(Cl)c(Cl)cc1CN1CCCC[C@@H](O)C1 ZINC001238264675 1131187723 /nfs/dbraw/zinc/18/77/23/1131187723.db2.gz UDEZZAUTBYONSM-GFCCVEGCSA-N 0 1 288.218 3.649 20 0 CHADMN COCC1(N[C@H](C)c2ccc(Oc3ccccc3)cn2)CC1 ZINC000573198425 1127297502 /nfs/dbraw/zinc/29/75/02/1127297502.db2.gz LBBXUZNFMMAPES-CQSZACIVSA-N 0 1 298.386 3.704 20 0 CHADMN COCc1cnc(CN2CC[C@@H](C(C)(C)C)C[C@H]2C)s1 ZINC000573167691 1127298197 /nfs/dbraw/zinc/29/81/97/1127298197.db2.gz UTHZCKFAETUOEB-CHWSQXEVSA-N 0 1 296.480 3.936 20 0 CHADMN O=C(Nc1ccc2ccoc2c1)c1cc(-c2ccco2)n[nH]1 ZINC000354240881 1127299292 /nfs/dbraw/zinc/29/92/92/1127299292.db2.gz RDEOQELMWZQRFX-UHFFFAOYSA-N 0 1 293.282 3.668 20 0 CHADMN CC[C@@H](CC1CCCC1)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000354337590 1127304177 /nfs/dbraw/zinc/30/41/77/1127304177.db2.gz APBYUKZXOJVKTJ-LBPRGKRZSA-N 0 1 290.411 3.617 20 0 CHADMN CC[C@@H](CC1CCCC1)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000354337590 1127304180 /nfs/dbraw/zinc/30/41/80/1127304180.db2.gz APBYUKZXOJVKTJ-LBPRGKRZSA-N 0 1 290.411 3.617 20 0 CHADMN CCN(CC)[C@@H](C(=O)N(C)CCC(C)C)c1ccccc1 ZINC000591428851 1127301768 /nfs/dbraw/zinc/30/17/68/1127301768.db2.gz QFWZBCWAHVFAOZ-QGZVFWFLSA-N 0 1 290.451 3.574 20 0 CHADMN CCc1ccc(N[C@H](c2nnc[nH]2)c2ccc(F)cc2)cc1 ZINC000573393138 1127308453 /nfs/dbraw/zinc/30/84/53/1127308453.db2.gz ZTVAVNWRIWGVPF-INIZCTEOSA-N 0 1 296.349 3.708 20 0 CHADMN CO[C@@H]1CCN(Cc2cc(C)c(Cl)cc2F)[C@H](C)C1 ZINC001238304000 1131189757 /nfs/dbraw/zinc/18/97/57/1131189757.db2.gz DGMGITMLGSNGRW-DGCLKSJQSA-N 0 1 285.790 3.787 20 0 CHADMN CCCCN(CCC)Cc1cc(OC)ncc1Cl ZINC001238357149 1131192869 /nfs/dbraw/zinc/19/28/69/1131192869.db2.gz MXEWSQNRZDYZGU-UHFFFAOYSA-N 0 1 270.804 3.756 20 0 CHADMN COc1ccncc1CN[C@H](c1ccccc1)C1CCC1 ZINC000287908016 1127315527 /nfs/dbraw/zinc/31/55/27/1127315527.db2.gz VGFCTIDBUXHJLE-GOSISDBHSA-N 0 1 282.387 3.721 20 0 CHADMN CCc1cc(CNCc2cccc3c(OC)cccc23)on1 ZINC000573533925 1127315654 /nfs/dbraw/zinc/31/56/54/1127315654.db2.gz JPSFFWSQTKNQJC-UHFFFAOYSA-N 0 1 296.370 3.689 20 0 CHADMN COC[C@@H](NC[C@H](C)SC)c1cccc(Cl)c1F ZINC000287673405 1127312099 /nfs/dbraw/zinc/31/20/99/1127312099.db2.gz MGEJJDIOPXUEEE-JOYOIKCWSA-N 0 1 291.819 3.508 20 0 CHADMN Cc1cnc(CN(C)Cc2cccc(Cl)c2)c(C)c1 ZINC001238430219 1131199495 /nfs/dbraw/zinc/19/94/95/1131199495.db2.gz REZPGTPVXQNPGN-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN C[N@H+](Cc1nc2ccc(F)cc2o1)CC1CCCCC1 ZINC000466818788 1127314499 /nfs/dbraw/zinc/31/44/99/1127314499.db2.gz DMABJCRYUQHODN-UHFFFAOYSA-N 0 1 276.355 3.979 20 0 CHADMN C/C(=C\c1ccccc1)CNCc1cn2ccc(C)cc2n1 ZINC000591709392 1127314670 /nfs/dbraw/zinc/31/46/70/1127314670.db2.gz WYPKRUHHYLBQRV-MHWRWJLKSA-N 0 1 291.398 3.836 20 0 CHADMN CC(C)c1ccc(CN(CCCO)Cc2ccccn2)cc1 ZINC000287975756 1127315179 /nfs/dbraw/zinc/31/51/79/1127315179.db2.gz ZRUBUFBHLBNDEB-UHFFFAOYSA-N 0 1 298.430 3.590 20 0 CHADMN COc1ccncc1CN[C@H](C)c1cc(C)cc(C)c1 ZINC000287964054 1127315241 /nfs/dbraw/zinc/31/52/41/1127315241.db2.gz YVOJWKMGGFGAFQ-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cnccc2C)c1 ZINC000355124939 1127319038 /nfs/dbraw/zinc/31/90/38/1127319038.db2.gz CJZXLDDPRONSML-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN CCCn1c2ccccc2nc1C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000355142157 1127320759 /nfs/dbraw/zinc/32/07/59/1127320759.db2.gz ZRAFBUYLBIGGDS-ZIAGYGMSSA-N 0 1 271.408 3.677 20 0 CHADMN CCOC(=O)c1coc(CNCc2ccc(C3CC3)cc2)c1 ZINC000355148173 1127321426 /nfs/dbraw/zinc/32/14/26/1127321426.db2.gz IDMHZIJBBSPXNR-UHFFFAOYSA-N 0 1 299.370 3.624 20 0 CHADMN Cc1c(Cl)ccc(CN(C)C[C@H]2CCCCO2)c1F ZINC001238518707 1131212299 /nfs/dbraw/zinc/21/22/99/1131212299.db2.gz WHMJHJQSBSTUAI-CYBMUJFWSA-N 0 1 285.790 3.788 20 0 CHADMN C[C@@H]1CCC[C@]1(C)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000573675555 1127322567 /nfs/dbraw/zinc/32/25/67/1127322567.db2.gz OVRTZUFUKQKAKX-HWPZZCPQSA-N 0 1 282.347 3.691 20 0 CHADMN CC(C)N(Cc1cnc(-c2ccccc2)[nH]1)CC(F)F ZINC000355218432 1127326231 /nfs/dbraw/zinc/32/62/31/1127326231.db2.gz IOHFIEOWAOQLNH-UHFFFAOYSA-N 0 1 279.334 3.552 20 0 CHADMN Cc1oc2ccccc2c1CN1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000355213973 1127326504 /nfs/dbraw/zinc/32/65/04/1127326504.db2.gz GHEJSWHREMXKBE-SGTLLEGYSA-N 0 1 285.387 3.741 20 0 CHADMN Cc1cccc(Cl)c1C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000573689552 1127328679 /nfs/dbraw/zinc/32/86/79/1127328679.db2.gz OVYMIYORLMNZLR-AWEZNQCLSA-N 0 1 283.799 3.580 20 0 CHADMN CC(C)Oc1cc(CN2CCC[C@@H](C)[C@H]2C)cnc1F ZINC001238591361 1131219802 /nfs/dbraw/zinc/21/98/02/1131219802.db2.gz BCCQSTYSSYLUQC-CHWSQXEVSA-N 0 1 280.387 3.628 20 0 CHADMN Cc1nc([C@H](C)N[C@H](CO)CC2CCCCC2)c(C)s1 ZINC000669430002 1127330028 /nfs/dbraw/zinc/33/00/28/1127330028.db2.gz DSUOGTPLQZTRPY-NHYWBVRUSA-N 0 1 296.480 3.742 20 0 CHADMN O=C([O-])[C@@H](CC[N@H+]1CCC[C@@H]1C1CCC1)c1ccccc1 ZINC000573927519 1127331967 /nfs/dbraw/zinc/33/19/67/1127331967.db2.gz OKDHSCHAGAMXIH-DLBZAZTESA-N 0 1 287.403 3.509 20 0 CHADMN CSc1ccc(Cl)cc1CN1CCOC[C@@H](C)C1 ZINC001238671941 1131229261 /nfs/dbraw/zinc/22/92/61/1131229261.db2.gz NZTVNYAYZWUJKE-NSHDSACASA-N 0 1 285.840 3.530 20 0 CHADMN COc1ccccc1[C@@H]1CCCCN1Cc1ccccn1 ZINC000592330970 1127344056 /nfs/dbraw/zinc/34/40/56/1127344056.db2.gz NZOGPCUWDJQUCM-KRWDZBQOSA-N 0 1 282.387 3.817 20 0 CHADMN CC(C)[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(C)C ZINC000592428908 1127349133 /nfs/dbraw/zinc/34/91/33/1127349133.db2.gz DTALRNADLIBSIF-GFCCVEGCSA-N 0 1 289.206 3.518 20 0 CHADMN Cc1ccc(CN(C)Cc2cnccc2C)cc1C ZINC000355588330 1127351458 /nfs/dbraw/zinc/35/14/58/1127351458.db2.gz VZHQPTWOFAMGPJ-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN COc1ccccc1/C=C\CN(C)Cc1cnccc1C ZINC000355588267 1127351927 /nfs/dbraw/zinc/35/19/27/1127351927.db2.gz VNFLJKNHWPMBKT-VURMDHGXSA-N 0 1 282.387 3.544 20 0 CHADMN CC[N@@H+](CCSC)Cc1cn(C)nc1C1CCCCC1 ZINC000592530782 1127353825 /nfs/dbraw/zinc/35/38/25/1127353825.db2.gz QVOVAPZPLVFUPZ-UHFFFAOYSA-N 0 1 295.496 3.653 20 0 CHADMN Cc1ccc(CN(CCO)Cc2c(C)oc3ccccc32)o1 ZINC000355651061 1127356078 /nfs/dbraw/zinc/35/60/78/1127356078.db2.gz BFWVBZIGFPJODE-UHFFFAOYSA-N 0 1 299.370 3.637 20 0 CHADMN Cc1ccc(CN(CCO)Cc2ccc(Cl)c(C)c2)o1 ZINC000355657788 1127356170 /nfs/dbraw/zinc/35/61/70/1127356170.db2.gz LTHBUGYOFGZCIM-UHFFFAOYSA-N 0 1 293.794 3.544 20 0 CHADMN Cc1cccc2nc(CN[C@@H]3C[C@H](C)c4ccccc43)cn21 ZINC000289169781 1127375948 /nfs/dbraw/zinc/37/59/48/1127375948.db2.gz HOTXTKBQAAKVEQ-SCLBCKFNSA-N 0 1 291.398 3.981 20 0 CHADMN CC(C)[C@H](CNCc1csnn1)c1ccc(Cl)cc1 ZINC000289188579 1127376720 /nfs/dbraw/zinc/37/67/20/1127376720.db2.gz AQFPIVRGUJCJOY-AWEZNQCLSA-N 0 1 295.839 3.721 20 0 CHADMN Cc1cn[nH]c1CN1CCc2c(Cl)c(Cl)ccc2C1 ZINC000356217420 1127379031 /nfs/dbraw/zinc/37/90/31/1127379031.db2.gz LTGCKWPKIGXIRY-UHFFFAOYSA-N 0 1 296.201 3.583 20 0 CHADMN Cc1cnn(C)c1CN(Cc1ccc(F)cc1)C(C)(C)C ZINC000289344248 1127382271 /nfs/dbraw/zinc/38/22/71/1127382271.db2.gz MEIYOJCQMASLDW-UHFFFAOYSA-N 0 1 289.398 3.668 20 0 CHADMN C[C@@]1(c2ccccc2)CCCN(Cc2cocn2)CC1 ZINC000289324266 1127381290 /nfs/dbraw/zinc/38/12/90/1127381290.db2.gz GCLPNXQZIIVNQW-QGZVFWFLSA-N 0 1 270.376 3.618 20 0 CHADMN Cc1ccn2cc(CN[C@@H]3C[C@@H](C)c4ccccc43)nc2c1 ZINC000289345842 1127381846 /nfs/dbraw/zinc/38/18/46/1127381846.db2.gz XLXZOXPWWVMDNO-RDTXWAMCSA-N 0 1 291.398 3.981 20 0 CHADMN CC[C@]1(C)CCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000357297181 1127389534 /nfs/dbraw/zinc/38/95/34/1127389534.db2.gz CKFWYKRKRRIUHY-MRXNPFEDSA-N 0 1 261.413 3.620 20 0 CHADMN CC/C=C\CCN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000466829994 1127391725 /nfs/dbraw/zinc/39/17/25/1127391725.db2.gz BDWFHKOFYQCNEY-XHRFTGCISA-N 0 1 259.393 3.805 20 0 CHADMN Cc1nc([C@@H](C)NCCOc2cc(C)cc(C)c2)cs1 ZINC000358015583 1127396492 /nfs/dbraw/zinc/39/64/92/1127396492.db2.gz DZUHUHNRZSARQG-CYBMUJFWSA-N 0 1 290.432 3.798 20 0 CHADMN CCN(Cc1ccccn1)Cc1ccccc1SC ZINC000358026444 1127396779 /nfs/dbraw/zinc/39/67/79/1127396779.db2.gz BMYWAAAPDLZUAJ-UHFFFAOYSA-N 0 1 272.417 3.826 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1ccoc1C ZINC000358030470 1127397205 /nfs/dbraw/zinc/39/72/05/1127397205.db2.gz ZMSJAFMDASSJPT-NSHDSACASA-N 0 1 275.396 3.699 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](CO)c2ccc(F)cc2)c(C)s1 ZINC000358182324 1127407146 /nfs/dbraw/zinc/40/71/46/1127407146.db2.gz UJDOGGHWFRDXIK-BZNIZROVSA-N 0 1 293.407 3.888 20 0 CHADMN COc1cccc2c1CC[C@@H]2NCc1ccc(SC)o1 ZINC000641736830 1127408753 /nfs/dbraw/zinc/40/87/53/1127408753.db2.gz LTFKRPHCHGLCPD-AWEZNQCLSA-N 0 1 289.400 3.787 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](C)c2ccc(F)c(Cl)c2)n[nH]1 ZINC000358235499 1127409543 /nfs/dbraw/zinc/40/95/43/1127409543.db2.gz IOURILSGQSWBIX-DTWKUNHWSA-N 0 1 296.777 3.571 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CC[C@@H](C(F)(F)F)C1 ZINC000761048406 1127410718 /nfs/dbraw/zinc/41/07/18/1127410718.db2.gz YGDAQFFAHREIKX-MWLCHTKSSA-N 0 1 261.262 3.771 20 0 CHADMN CC(C)C[C@@H](NCc1ccn(C)n1)c1ccc(Cl)cc1 ZINC000358250986 1127410854 /nfs/dbraw/zinc/41/08/54/1127410854.db2.gz QBKYSYAMQAKDCC-MRXNPFEDSA-N 0 1 291.826 3.951 20 0 CHADMN CSc1ccc([C@@H](C)N[C@H](C)c2cn[nH]c2)cc1F ZINC000358351137 1127417076 /nfs/dbraw/zinc/41/70/76/1127417076.db2.gz KGNAIYADNAOAPQ-NXEZZACHSA-N 0 1 279.384 3.683 20 0 CHADMN CC(C)(C)c1nnc(CNC2CCC(C)(C)CC2)s1 ZINC000358299280 1127414208 /nfs/dbraw/zinc/41/42/08/1127414208.db2.gz NLABMBBLPFKJNW-UHFFFAOYSA-N 0 1 281.469 3.894 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@H](c2cccnc2)C2CC2)cn1 ZINC000358353477 1127416860 /nfs/dbraw/zinc/41/68/60/1127416860.db2.gz OPDJJVZHGNOVTF-DYVFJYSZSA-N 0 1 284.407 3.661 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1ccc(F)cc1F ZINC000358504828 1127424591 /nfs/dbraw/zinc/42/45/91/1127424591.db2.gz IPMQMRYUDUYNIM-LLVKDONJSA-N 0 1 276.330 3.773 20 0 CHADMN C[C@H](Sc1nc(Cc2ccccc2)n[nH]1)c1cccnc1 ZINC000358554266 1127426726 /nfs/dbraw/zinc/42/67/26/1127426726.db2.gz CAZIYICZIAKYTR-LBPRGKRZSA-N 0 1 296.399 3.644 20 0 CHADMN CCc1nc([C@H](C)SCc2ccccc2C)n[nH]1 ZINC000594883338 1127431962 /nfs/dbraw/zinc/43/19/62/1127431962.db2.gz RRVIYRMXXSFKPP-NSHDSACASA-N 0 1 261.394 3.670 20 0 CHADMN Cc1oc2ccc(NC(=O)[C@H](C(C)C)N(C)C)cc2c1C ZINC000358709072 1127432306 /nfs/dbraw/zinc/43/23/06/1127432306.db2.gz DMDHKLJCCDBQBF-INIZCTEOSA-N 0 1 288.391 3.574 20 0 CHADMN CCc1nc(CSCCCCc2ccccc2)n[nH]1 ZINC000358830983 1127435567 /nfs/dbraw/zinc/43/55/67/1127435567.db2.gz OSKYTWKVLPMUDE-UHFFFAOYSA-N 0 1 275.421 3.623 20 0 CHADMN CC[N@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)CC(C)C ZINC000358921163 1127439054 /nfs/dbraw/zinc/43/90/54/1127439054.db2.gz HPHYWSCPXRTWGH-UHFFFAOYSA-N 0 1 299.374 3.560 20 0 CHADMN CC[N@@H+](Cc1nc2c3ccccc3oc2c(=O)[n-]1)CC(C)C ZINC000358921163 1127439057 /nfs/dbraw/zinc/43/90/57/1127439057.db2.gz HPHYWSCPXRTWGH-UHFFFAOYSA-N 0 1 299.374 3.560 20 0 CHADMN CC[N@H+](Cc1nc2c3ccccc3oc2c(=O)[n-]1)CC(C)C ZINC000358921163 1127439059 /nfs/dbraw/zinc/43/90/59/1127439059.db2.gz HPHYWSCPXRTWGH-UHFFFAOYSA-N 0 1 299.374 3.560 20 0 CHADMN CCN(Cc1nc2c3ccccc3oc2c(=O)[nH]1)CC(C)C ZINC000358921163 1127439060 /nfs/dbraw/zinc/43/90/60/1127439060.db2.gz HPHYWSCPXRTWGH-UHFFFAOYSA-N 0 1 299.374 3.560 20 0 CHADMN CCc1cnc(CNC2(Cc3ccccc3)CC2)s1 ZINC000358961779 1127441060 /nfs/dbraw/zinc/44/10/60/1127441060.db2.gz GOLIZGFNORQGSQ-UHFFFAOYSA-N 0 1 272.417 3.570 20 0 CHADMN Cc1ccccc1C[C@H]1CCCN1Cc1nc(C(C)C)no1 ZINC000358964959 1127441810 /nfs/dbraw/zinc/44/18/10/1127441810.db2.gz JODCZDIICULUKT-MRXNPFEDSA-N 0 1 299.418 3.709 20 0 CHADMN COCCCC[C@@H](N[C@@H](C)c1cnccn1)c1ccccc1 ZINC000359036295 1127446221 /nfs/dbraw/zinc/44/62/21/1127446221.db2.gz OGUHVIOZYBSKEF-DOTOQJQBSA-N 0 1 299.418 3.685 20 0 CHADMN CC1(C)C(CN[C@@H](c2ncc[nH]2)c2ccccc2)C1(C)C ZINC000359060116 1127447265 /nfs/dbraw/zinc/44/72/65/1127447265.db2.gz BTIYPYQUHCZFTB-OAHLLOKOSA-N 0 1 283.419 3.771 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@H](C)c1ccccn1 ZINC000359363184 1127460154 /nfs/dbraw/zinc/46/01/54/1127460154.db2.gz LLCJKNRPNJOCNJ-LLVKDONJSA-N 0 1 297.333 3.951 20 0 CHADMN c1ccc(-c2noc([C@@H]3CC[C@@H]4CCCC[C@H]4N3)n2)cc1 ZINC000227216019 1127461166 /nfs/dbraw/zinc/46/11/66/1127461166.db2.gz SMYYADUJVYYQIS-CFVMTHIKSA-N 0 1 283.375 3.720 20 0 CHADMN CSCCCN(C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000595520219 1127464653 /nfs/dbraw/zinc/46/46/53/1127464653.db2.gz ZGXLPDDIOCGOGH-JTQLQIEISA-N 0 1 297.855 3.962 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cn1cc(C)cnc1=S ZINC000758333877 1127466317 /nfs/dbraw/zinc/46/63/17/1127466317.db2.gz ZGFKMZSDRWDDGC-MRXNPFEDSA-N 0 1 299.443 3.888 20 0 CHADMN CCC(CC)N(Cc1noc2c1CCCC2)C1CC1 ZINC000595556584 1127467002 /nfs/dbraw/zinc/46/70/02/1127467002.db2.gz JHENZAHYFPVLKT-UHFFFAOYSA-N 0 1 262.397 3.706 20 0 CHADMN C[C@H]1CC[C@@]2(CCN(CC(=O)c3c[nH]c4ccccc34)C2)C1 ZINC000359538341 1127467440 /nfs/dbraw/zinc/46/74/40/1127467440.db2.gz AVYPEKMVTFGEIH-IFXJQAMLSA-N 0 1 296.414 3.863 20 0 CHADMN C[C@H](NCc1ccc(CO)o1)c1ccc(C2CC2)cc1 ZINC000575108996 1127467498 /nfs/dbraw/zinc/46/74/98/1127467498.db2.gz YNVCOXBRDGRNOI-LBPRGKRZSA-N 0 1 271.360 3.500 20 0 CHADMN COC(=O)c1ccc(C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)s1 ZINC000359560288 1127467644 /nfs/dbraw/zinc/46/76/44/1127467644.db2.gz PXCLBMFUDQJTDA-MLGOLLRUSA-N 0 1 293.432 3.547 20 0 CHADMN COC(=O)c1ccc(C[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)s1 ZINC000359560286 1127468118 /nfs/dbraw/zinc/46/81/18/1127468118.db2.gz PXCLBMFUDQJTDA-BLLLJJGKSA-N 0 1 293.432 3.547 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccc3ncsc3c2)n1 ZINC000359683671 1127472672 /nfs/dbraw/zinc/47/26/72/1127472672.db2.gz WQHHFGYDZGFSJO-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN Cc1ccc2nc(CNCc3ccsc3Cl)[nH]c2c1 ZINC000359749794 1127476991 /nfs/dbraw/zinc/47/69/91/1127476991.db2.gz WUOKOPKKSCZEHC-UHFFFAOYSA-N 0 1 291.807 3.876 20 0 CHADMN Fc1ccc2c(c1)nccc2NCC1(C(F)F)CC1 ZINC000359836300 1127479511 /nfs/dbraw/zinc/47/95/11/1127479511.db2.gz AIJDMXJFWFAQBW-UHFFFAOYSA-N 0 1 266.266 3.831 20 0 CHADMN C[C@@H](NC[C@H](C)C(F)(F)F)c1ccc(Cl)cn1 ZINC000359972708 1127485826 /nfs/dbraw/zinc/48/58/26/1127485826.db2.gz XEEXEOQXZQOIKJ-JGVFFNPUSA-N 0 1 266.694 3.584 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)c1C ZINC000359863669 1127481028 /nfs/dbraw/zinc/48/10/28/1127481028.db2.gz WWJAUSPQGKOZFU-HNNXBMFYSA-N 0 1 299.418 3.934 20 0 CHADMN Cc1ccsc1CNCc1nccn1-c1ccccc1 ZINC000359964645 1127484819 /nfs/dbraw/zinc/48/48/19/1127484819.db2.gz VYUDHZDMNTWUHV-UHFFFAOYSA-N 0 1 283.400 3.532 20 0 CHADMN CC(C)Cc1noc(CN[C@@H]2CCC(C)(C)C[C@@H]2C)n1 ZINC000360281307 1127495084 /nfs/dbraw/zinc/49/50/84/1127495084.db2.gz ADHWVQPEGXYPQL-QWHCGFSZSA-N 0 1 279.428 3.573 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H](C)c1cccs1 ZINC000360425408 1127498724 /nfs/dbraw/zinc/49/87/24/1127498724.db2.gz BJACGRSYLYILQA-JTQLQIEISA-N 0 1 285.372 3.675 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H](C)c1ccsc1 ZINC000360414701 1127499098 /nfs/dbraw/zinc/49/90/98/1127499098.db2.gz SCJAWTLXEBDNKO-SNVBAGLBSA-N 0 1 285.372 3.675 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1cccc(O)c1)[C@H]2C ZINC000543778872 1127499635 /nfs/dbraw/zinc/49/96/35/1127499635.db2.gz ARNYUXJBSJWIJI-KBPBESRZSA-N 0 1 297.398 3.909 20 0 CHADMN CCCN(Cc1c(C)noc1C)[C@H]1CCCc2cccnc21 ZINC000360499043 1127500820 /nfs/dbraw/zinc/50/08/20/1127500820.db2.gz FEVOXFNFBBQVMR-KRWDZBQOSA-N 0 1 299.418 3.976 20 0 CHADMN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc2c[nH]nc21 ZINC000360691857 1127505955 /nfs/dbraw/zinc/50/59/55/1127505955.db2.gz XXOWJBBBTWNCLL-JSGCOSHPSA-N 0 1 299.418 3.850 20 0 CHADMN CCc1nc(C)c([C@H](C)NCc2c(CC)noc2C)s1 ZINC000293569662 1127505978 /nfs/dbraw/zinc/50/59/78/1127505978.db2.gz BFAHEEHLHHJSRG-VIFPVBQESA-N 0 1 293.436 3.724 20 0 CHADMN C[C@H](c1cccnc1)N1Cc2ccccc2C2(CC2)C1 ZINC000360699993 1127507124 /nfs/dbraw/zinc/50/71/24/1127507124.db2.gz APNDCRLXWVHMCF-CQSZACIVSA-N 0 1 264.372 3.690 20 0 CHADMN CC(C)C1(CNCc2occc2Br)CC1 ZINC000227833298 1127508281 /nfs/dbraw/zinc/50/82/81/1127508281.db2.gz PBYDEAFDCQLDBO-UHFFFAOYSA-N 0 1 272.186 3.568 20 0 CHADMN CC[C@@H](CN(CC)Cc1nccc(C)n1)c1ccccc1 ZINC000360725047 1127508374 /nfs/dbraw/zinc/50/83/74/1127508374.db2.gz HVWHCBVVFZWZPZ-INIZCTEOSA-N 0 1 283.419 3.801 20 0 CHADMN COC[C@@H](NCc1ccsc1C)c1ccccc1 ZINC000293684776 1127513179 /nfs/dbraw/zinc/51/31/79/1127513179.db2.gz VYFBCKJWVCPEMI-OAHLLOKOSA-N 0 1 261.390 3.534 20 0 CHADMN Cc1ccoc1CN[C@H]1CCCNc2ccccc21 ZINC000293749531 1127517297 /nfs/dbraw/zinc/51/72/97/1127517297.db2.gz RFDYTFLEFMESDU-HNNXBMFYSA-N 0 1 256.349 3.625 20 0 CHADMN Oc1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)ccc1Cl ZINC001231733681 1127519009 /nfs/dbraw/zinc/51/90/09/1127519009.db2.gz CRVWXQGDPZSMLS-GXTWGEPZSA-N 0 1 265.784 3.810 20 0 CHADMN [O-]c1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)ccc1Cl ZINC001231733681 1127519012 /nfs/dbraw/zinc/51/90/12/1127519012.db2.gz CRVWXQGDPZSMLS-GXTWGEPZSA-N 0 1 265.784 3.810 20 0 CHADMN [O-]c1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)ccc1Cl ZINC001231733681 1127519014 /nfs/dbraw/zinc/51/90/14/1127519014.db2.gz CRVWXQGDPZSMLS-GXTWGEPZSA-N 0 1 265.784 3.810 20 0 CHADMN CC[C@@H](c1cccc(OC)c1)N(C)Cc1conc1C ZINC000293793471 1127520854 /nfs/dbraw/zinc/52/08/54/1127520854.db2.gz CSYLYHMVZFNFIG-INIZCTEOSA-N 0 1 274.364 3.575 20 0 CHADMN CCO[C@@H]1C[C@@H](NCc2c(F)cccc2Cl)C12CCC2 ZINC000360931590 1127521391 /nfs/dbraw/zinc/52/13/91/1127521391.db2.gz PVNSPPKJZOSLPL-HUUCEWRRSA-N 0 1 297.801 3.916 20 0 CHADMN C[C@@H](NCc1ccc(C2CC2)cc1F)c1cccnc1 ZINC000293795799 1127521504 /nfs/dbraw/zinc/52/15/04/1127521504.db2.gz URXJGJWZBICLGI-GFCCVEGCSA-N 0 1 270.351 3.949 20 0 CHADMN CCN(Cc1cnc(C2CCCC2)s1)C[C@@H](C)OC ZINC000361017330 1127529719 /nfs/dbraw/zinc/52/97/19/1127529719.db2.gz MIKZSMAYBOLDRR-GFCCVEGCSA-N 0 1 282.453 3.658 20 0 CHADMN CCN(Cc1coc(-c2ccc(C)cc2)n1)C[C@H](C)OC ZINC000361023547 1127530615 /nfs/dbraw/zinc/53/06/15/1127530615.db2.gz XGOMLMNVTBQSRO-AWEZNQCLSA-N 0 1 288.391 3.507 20 0 CHADMN Cc1ccoc1CN[C@@H](c1ccccc1)C1(CO)CCC1 ZINC000293874731 1127528333 /nfs/dbraw/zinc/52/83/33/1127528333.db2.gz JGXMGIWXAVDAOW-KRWDZBQOSA-N 0 1 285.387 3.582 20 0 CHADMN Cn1ccc([C@@H](NCCCCF)c2ccc(Cl)cc2)n1 ZINC000361001204 1127528483 /nfs/dbraw/zinc/52/84/83/1127528483.db2.gz DSGFNQDPSAMKMX-HNNXBMFYSA-N 0 1 295.789 3.502 20 0 CHADMN CCCN(Cc1cnn(CC)c1)[C@@H]1CCCc2cccnc21 ZINC000361035365 1127532433 /nfs/dbraw/zinc/53/24/33/1127532433.db2.gz BBKMCFNPIQTNQS-QGZVFWFLSA-N 0 1 298.434 3.588 20 0 CHADMN CCCN(Cc1ccnn1CC)[C@@H]1CCCc2cccnc21 ZINC000361039407 1127532588 /nfs/dbraw/zinc/53/25/88/1127532588.db2.gz XYKNOTUHJYSPMQ-QGZVFWFLSA-N 0 1 298.434 3.588 20 0 CHADMN CC[N@H+](Cc1cccc([O-])c1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000293941314 1127535543 /nfs/dbraw/zinc/53/55/43/1127535543.db2.gz OHIWMIZJSYYLIS-CYBMUJFWSA-N 0 1 297.826 3.825 20 0 CHADMN CC[N@@H+](Cc1cccc([O-])c1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000293941314 1127535546 /nfs/dbraw/zinc/53/55/46/1127535546.db2.gz OHIWMIZJSYYLIS-CYBMUJFWSA-N 0 1 297.826 3.825 20 0 CHADMN Cc1nc([C@@H](C)NCCc2c(F)cccc2F)cs1 ZINC000361113590 1127539215 /nfs/dbraw/zinc/53/92/15/1127539215.db2.gz ZRWDICWQQMZIGB-SECBINFHSA-N 0 1 282.359 3.623 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CC[C@@H](C)[S@@](=O)CC1 ZINC000361115149 1127539246 /nfs/dbraw/zinc/53/92/46/1127539246.db2.gz WHXWPELTJFNDPD-FCEWJHQRSA-N 0 1 285.497 3.602 20 0 CHADMN Cc1ccoc1C[N@@H+]1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000361138349 1127541073 /nfs/dbraw/zinc/54/10/73/1127541073.db2.gz AUMLLKLLNRXIFV-QWRGUYRKSA-N 0 1 261.287 3.751 20 0 CHADMN Cc1ccoc1CN1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000361138349 1127541075 /nfs/dbraw/zinc/54/10/75/1127541075.db2.gz AUMLLKLLNRXIFV-QWRGUYRKSA-N 0 1 261.287 3.751 20 0 CHADMN CC(C)CCN[C@@H](CCc1ccccc1)C(F)F ZINC001118883572 1131239844 /nfs/dbraw/zinc/23/98/44/1131239844.db2.gz AJUBJJVGDIEXCB-AWEZNQCLSA-N 0 1 255.352 3.889 20 0 CHADMN CCCC1(C(=O)Nc2cc(C(=O)CC)ccc2O)CC1 ZINC000361163055 1127543241 /nfs/dbraw/zinc/54/32/41/1127543241.db2.gz WJCMFUUTDFPOQG-UHFFFAOYSA-N 0 1 275.348 3.504 20 0 CHADMN CCC[C@H](N[C@@H](C)c1cccc(O)c1)c1ccccn1 ZINC000669614486 1127546118 /nfs/dbraw/zinc/54/61/18/1127546118.db2.gz HUVQBNXVBICIGK-GUYCJALGSA-N 0 1 270.376 3.979 20 0 CHADMN Cc1ccc(CNCc2nc3cc(F)ccc3n2C)cc1C ZINC000076758817 1127546165 /nfs/dbraw/zinc/54/61/65/1127546165.db2.gz SFWYYCGSSGIFEG-UHFFFAOYSA-N 0 1 297.377 3.619 20 0 CHADMN CCC1(CNc2cc3c(cn2)CCCC3)CCOCC1 ZINC000361235352 1127549535 /nfs/dbraw/zinc/54/95/35/1127549535.db2.gz ALKCPECUIKBTHT-UHFFFAOYSA-N 0 1 274.408 3.579 20 0 CHADMN C[C@H]1CCN(Cc2cncc(C(F)(F)F)c2)C[C@@H](C)C1 ZINC000361325580 1127556849 /nfs/dbraw/zinc/55/68/49/1127556849.db2.gz STZKWRFHAQUYLR-RYUDHWBXSA-N 0 1 286.341 3.968 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)N1CC[C@@H](C)[C@@H]1C ZINC000361333570 1127557970 /nfs/dbraw/zinc/55/79/70/1127557970.db2.gz CKXKRWBQOWMUIG-VWYCJHECSA-N 0 1 277.393 3.589 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cc(C)cc(F)c3)cc2[nH]1 ZINC000361463532 1127564404 /nfs/dbraw/zinc/56/44/04/1127564404.db2.gz MLDLPGKGFWKBBP-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Fc1cc(F)c2c(c1)CN(CCCC1CCOCC1)CC2 ZINC000361465854 1127564409 /nfs/dbraw/zinc/56/44/09/1127564409.db2.gz XVSGAZJLMCSVMR-UHFFFAOYSA-N 0 1 295.373 3.530 20 0 CHADMN Clc1ccc([C@@H]2CCN(Cc3cscn3)C2)cc1 ZINC000361463492 1127564676 /nfs/dbraw/zinc/56/46/76/1127564676.db2.gz NNYWAPQNXLGJAE-GFCCVEGCSA-N 0 1 278.808 3.786 20 0 CHADMN CCC(CC)n1ccc(CN2CCC[C@@](C)(OC)CC2)n1 ZINC000361423513 1127562397 /nfs/dbraw/zinc/56/23/97/1127562397.db2.gz CJFFSNPRAIOQSF-QGZVFWFLSA-N 0 1 293.455 3.635 20 0 CHADMN CCCC1CCC(N(C)C(=O)c2cnc(C3CC3)[nH]2)CC1 ZINC000361446327 1127563885 /nfs/dbraw/zinc/56/38/85/1127563885.db2.gz REYOFBONXDHLHV-UHFFFAOYSA-N 0 1 289.423 3.718 20 0 CHADMN Cc1ccc(NCc2ccc3nc[nH]c3c2)cc1C ZINC000602276902 1127565965 /nfs/dbraw/zinc/56/59/65/1127565965.db2.gz GLGPDLJHIMTLRU-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN CC(C)n1cc(CNC2(c3ccc(F)cc3)CCC2)cn1 ZINC000602275115 1127566262 /nfs/dbraw/zinc/56/62/62/1127566262.db2.gz JUGCZYSVZPRVAU-UHFFFAOYSA-N 0 1 287.382 3.772 20 0 CHADMN CCN(CC(=O)c1cc(C)n(C2CC2)c1C)CC1CCC1 ZINC000361483287 1127566409 /nfs/dbraw/zinc/56/64/09/1127566409.db2.gz CWIDPKJEHFMZDP-UHFFFAOYSA-N 0 1 288.435 3.745 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2conc2C)o1 ZINC000294353407 1127567132 /nfs/dbraw/zinc/56/71/32/1127567132.db2.gz SSDIKIVBXGZWHP-IAQYHMDHSA-N 0 1 274.364 3.858 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cc2nncn2-c2ccccc2)C1 ZINC000361543063 1127570852 /nfs/dbraw/zinc/57/08/52/1127570852.db2.gz KAMFBDAALYWZBO-HNNXBMFYSA-N 0 1 298.434 3.525 20 0 CHADMN Cc1cccc(C[N@H+](C)Cc2ccc(N(C)C(C)C)nc2)c1 ZINC000361508560 1127567872 /nfs/dbraw/zinc/56/78/72/1127567872.db2.gz NJYCQKPSCSEMRT-UHFFFAOYSA-N 0 1 297.446 3.867 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(N(C)C(C)C)nc2)c1 ZINC000361508560 1127567875 /nfs/dbraw/zinc/56/78/75/1127567875.db2.gz NJYCQKPSCSEMRT-UHFFFAOYSA-N 0 1 297.446 3.867 20 0 CHADMN CN(Cc1nccn1-c1ccccc1)C[C@@H]1CC=CCC1 ZINC000361593511 1127575350 /nfs/dbraw/zinc/57/53/50/1127575350.db2.gz IMEISSHNJJADJU-MRXNPFEDSA-N 0 1 281.403 3.660 20 0 CHADMN C[C@H]1CCN(Cc2ccsc2Cl)C[C@@H]1n1ccnc1 ZINC000361557725 1127571669 /nfs/dbraw/zinc/57/16/69/1127571669.db2.gz SCKKDSFWTZEQLI-AAEUAGOBSA-N 0 1 295.839 3.681 20 0 CHADMN CO[C@@H](C)CN(Cc1ccsc1Cl)C(C)C ZINC000361557274 1127571985 /nfs/dbraw/zinc/57/19/85/1127571985.db2.gz PMGXLOKXUCSOHK-JTQLQIEISA-N 0 1 261.818 3.647 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CC[C@H](n2cccn2)C1 ZINC000361577978 1127573733 /nfs/dbraw/zinc/57/37/33/1127573733.db2.gz PAPXENVYLLIUAH-BBRMVZONSA-N 0 1 291.345 3.559 20 0 CHADMN C[C@@H]1CC[C@@]2(CCN(Cc3nccn3-c3ccccc3)C2)C1 ZINC000361587397 1127574267 /nfs/dbraw/zinc/57/42/67/1127574267.db2.gz OXHUSMIFWZLCSC-VQIMIIECSA-N 0 1 295.430 3.884 20 0 CHADMN FC(F)C1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000361689134 1127581610 /nfs/dbraw/zinc/58/16/10/1127581610.db2.gz GVERBWATLZMUPD-UHFFFAOYSA-N 0 1 292.329 3.819 20 0 CHADMN Cc1ccc(C)c(N2CCN([C@@H](C)c3cccnc3)CC2)c1 ZINC000361694780 1127582867 /nfs/dbraw/zinc/58/28/67/1127582867.db2.gz ZYHZKOWDTWMDIF-KRWDZBQOSA-N 0 1 295.430 3.582 20 0 CHADMN Cc1cc(Br)cnc1CN1CCCC[C@H](C)C1 ZINC001232044734 1127582959 /nfs/dbraw/zinc/58/29/59/1127582959.db2.gz LHUWEAIVIJHVGU-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN COc1ccc(CN(Cc2ccncc2C)C2CC2)cc1 ZINC000294627984 1127587463 /nfs/dbraw/zinc/58/74/63/1127587463.db2.gz ZUUFSPUXLKYTRN-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN CC[C@@H](N[C@@H]1CCOc2ccc(F)cc21)c1ccncc1 ZINC000361753613 1127586811 /nfs/dbraw/zinc/58/68/11/1127586811.db2.gz KWHVBTQKFYCNRR-HZPDHXFCSA-N 0 1 286.350 3.785 20 0 CHADMN CC[C@@H](N[C@H]1CCOc2ccc(F)cc21)c1ccncc1 ZINC000361753598 1127587139 /nfs/dbraw/zinc/58/71/39/1127587139.db2.gz KWHVBTQKFYCNRR-CVEARBPZSA-N 0 1 286.350 3.785 20 0 CHADMN COc1ccccc1[C@H](C)NCc1nc2ccc(C)cc2[nH]1 ZINC000361804763 1127589902 /nfs/dbraw/zinc/58/99/02/1127589902.db2.gz OVNNRHGJCHGERA-ZDUSSCGKSA-N 0 1 295.386 3.731 20 0 CHADMN COc1ccc(Cl)c(CN(C[C@@H](C)OC)C(C)C)c1 ZINC000361826038 1127591838 /nfs/dbraw/zinc/59/18/38/1127591838.db2.gz QXFATQUVIMFJPM-GFCCVEGCSA-N 0 1 285.815 3.594 20 0 CHADMN CC/C=C/CNCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000294700067 1127592868 /nfs/dbraw/zinc/59/28/68/1127592868.db2.gz BDIRKWKXSQLYKT-VOTSOKGWSA-N 0 1 297.424 3.546 20 0 CHADMN COc1ccsc1CN1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000294732041 1127595472 /nfs/dbraw/zinc/59/54/72/1127595472.db2.gz DIKJEKOFXLZAEM-NXEZZACHSA-N 0 1 293.354 3.920 20 0 CHADMN CS[C@@H]1CC[C@H]1N[C@H](C)c1c(F)cccc1F ZINC000361943936 1127600825 /nfs/dbraw/zinc/60/08/25/1127600825.db2.gz FANRZVIYBUEYLQ-GGZOMVNGSA-N 0 1 257.349 3.509 20 0 CHADMN Cc1cnc(CNC[C@H](Nc2ccccc2)C(C)C)s1 ZINC000294819518 1127601603 /nfs/dbraw/zinc/60/16/03/1127601603.db2.gz RDVAZPPGTSOAEQ-HNNXBMFYSA-N 0 1 289.448 3.678 20 0 CHADMN CC(C)[C@@H](NCc1cc(F)ncc1F)c1ccccc1 ZINC000294831426 1127602191 /nfs/dbraw/zinc/60/21/91/1127602191.db2.gz SJHRTVWXYGMASN-MRXNPFEDSA-N 0 1 276.330 3.847 20 0 CHADMN Cc1ccc(F)cc1CNCc1cccc(C(F)(F)F)n1 ZINC000294788934 1127599411 /nfs/dbraw/zinc/59/94/11/1127599411.db2.gz LSTQKZSUUSJVMM-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc(C3CC3)c2)ncn1 ZINC000294893563 1127606165 /nfs/dbraw/zinc/60/61/65/1127606165.db2.gz VMJBQLAQJOHIOB-ZDUSSCGKSA-N 0 1 267.376 3.513 20 0 CHADMN CSC1CCN(C/C=C/c2ccc(F)cc2F)CC1 ZINC000602726268 1127609089 /nfs/dbraw/zinc/60/90/89/1127609089.db2.gz PJCPUDFOJYNURE-NSCUHMNNSA-N 0 1 283.387 3.805 20 0 CHADMN Cc1cccnc1CN1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000294943940 1127610209 /nfs/dbraw/zinc/61/02/09/1127610209.db2.gz HCYSFNIAKOWBBJ-VXGBXAGGSA-N 0 1 272.314 3.553 20 0 CHADMN CC[C@@H](NCc1cccnc1N)c1ccc(Cl)s1 ZINC000294978643 1127611809 /nfs/dbraw/zinc/61/18/09/1127611809.db2.gz LTGQXESVMKRWPP-SNVBAGLBSA-N 0 1 281.812 3.620 20 0 CHADMN Cc1ncc(CN2CC[C@H](C(F)(F)F)C[C@H]2C)s1 ZINC000295043825 1127615742 /nfs/dbraw/zinc/61/57/42/1127615742.db2.gz OWXWRTSIQAKOLO-SCZZXKLOSA-N 0 1 278.343 3.614 20 0 CHADMN O=C(Nc1ccc2ccccc2c1)c1c(O)cccc1F ZINC000228833266 1127615757 /nfs/dbraw/zinc/61/57/57/1127615757.db2.gz MLGGSBPKDIZHIA-UHFFFAOYSA-N 0 1 281.286 3.937 20 0 CHADMN CCCC1CCC(N(C)Cc2ncc(C)cn2)CC1 ZINC000362161403 1127615921 /nfs/dbraw/zinc/61/59/21/1127615921.db2.gz JOBCWVYOMFSNSH-UHFFFAOYSA-N 0 1 261.413 3.576 20 0 CHADMN CC1(C)CCC[C@@H](NCc2ncc(C(F)(F)F)cn2)C1 ZINC000295053201 1127616594 /nfs/dbraw/zinc/61/65/94/1127616594.db2.gz PUEOTIHJRDHZDS-LLVKDONJSA-N 0 1 287.329 3.554 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccc(F)cn2)s1 ZINC000362125090 1127613695 /nfs/dbraw/zinc/61/36/95/1127613695.db2.gz NJOBEBJDZMKUAA-JTQLQIEISA-N 0 1 264.369 3.695 20 0 CHADMN c1cc(C[N@H+]2C[C@@H]3CCCC[C@@]32c2ccccc2)on1 ZINC000362200809 1127618885 /nfs/dbraw/zinc/61/88/85/1127618885.db2.gz TZQFCKGCJNUSJK-DOTOQJQBSA-N 0 1 268.360 3.576 20 0 CHADMN c1cc(CN2C[C@@H]3CCCC[C@@]32c2ccccc2)on1 ZINC000362200809 1127618886 /nfs/dbraw/zinc/61/88/86/1127618886.db2.gz TZQFCKGCJNUSJK-DOTOQJQBSA-N 0 1 268.360 3.576 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCC(CF)CC1 ZINC000295117834 1127621402 /nfs/dbraw/zinc/62/14/02/1127621402.db2.gz JHIFKNVBVVCKNR-SNVBAGLBSA-N 0 1 257.299 3.707 20 0 CHADMN CCCC[C@H](CC)NCc1ncc(C(F)(F)F)cn1 ZINC000295125152 1127621838 /nfs/dbraw/zinc/62/18/38/1127621838.db2.gz XUJDASAVIHMLCI-NSHDSACASA-N 0 1 275.318 3.554 20 0 CHADMN Cc1ccoc1CN1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000295138449 1127622842 /nfs/dbraw/zinc/62/28/42/1127622842.db2.gz ZJONDKQACNCGBL-GHMZBOCLSA-N 0 1 261.287 3.751 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CC[C@H](O)CC(C)(C)C1 ZINC000295198422 1127627012 /nfs/dbraw/zinc/62/70/12/1127627012.db2.gz BNYVYSCAQJSFCS-AAEUAGOBSA-N 0 1 283.362 3.509 20 0 CHADMN Cc1cccc(CN[C@H]2CCc3c2cccc3O)c1F ZINC000295233642 1127629319 /nfs/dbraw/zinc/62/93/19/1127629319.db2.gz SDIDYICONHUELN-HNNXBMFYSA-N 0 1 271.335 3.617 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@@H](C)n3ccnc31)[C@@H](C)C2 ZINC000295231022 1127629321 /nfs/dbraw/zinc/62/93/21/1127629321.db2.gz NYDHZUCUBOSVBX-NSNWQYSKSA-N 0 1 281.403 3.720 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1C[C@H](C)CC[C@@H]1C ZINC000362435081 1127635473 /nfs/dbraw/zinc/63/54/73/1127635473.db2.gz CQBAVXMIFWFSDV-OLZOCXBDSA-N 0 1 289.398 3.816 20 0 CHADMN Cc1nocc1CN(Cc1ccc(F)cc1)CC1CC1 ZINC000295376876 1127638961 /nfs/dbraw/zinc/63/89/61/1127638961.db2.gz OVFKRRLTNMIASA-UHFFFAOYSA-N 0 1 274.339 3.534 20 0 CHADMN CCC1(CC)CCN(C(=O)c2c(C)n[nH]c2C(C)C)CC1 ZINC000362481457 1127639368 /nfs/dbraw/zinc/63/93/68/1127639368.db2.gz QHUATEAVEYREKM-UHFFFAOYSA-N 0 1 291.439 3.884 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1NCc1cc(F)ncc1F ZINC000295393558 1127640546 /nfs/dbraw/zinc/64/05/46/1127640546.db2.gz LNJJPYWMHRRYQW-PIGZYNQJSA-N 0 1 288.341 3.773 20 0 CHADMN CCCN(CC(F)F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000603413911 1127646692 /nfs/dbraw/zinc/64/66/92/1127646692.db2.gz LCRILCCBYRNEPL-INIZCTEOSA-N 0 1 296.405 3.628 20 0 CHADMN Cc1ccc([C@H](N[C@@H]2C[C@H](C)O[C@@H]2C)c2ccccn2)cc1 ZINC000295738328 1127651940 /nfs/dbraw/zinc/65/19/40/1127651940.db2.gz PMZHTWWLWGELJP-SFUIVIKGSA-N 0 1 296.414 3.635 20 0 CHADMN CO[C@H]1CCN([C@H](C)c2c(F)cccc2F)CC1(C)C ZINC000295855059 1127655843 /nfs/dbraw/zinc/65/58/43/1127655843.db2.gz DUSIVPOEDPFPFG-RISCZKNCSA-N 0 1 283.362 3.773 20 0 CHADMN Clc1cccc(CN[C@H]2C=CCC2)c1Br ZINC000719415292 1127656425 /nfs/dbraw/zinc/65/64/25/1127656425.db2.gz LUSLHJKTEKOSBT-JTQLQIEISA-N 0 1 286.600 3.911 20 0 CHADMN CO[C@@H]1CCN([C@@H](C)c2ccc(F)cc2F)CC1(C)C ZINC000295978811 1127658997 /nfs/dbraw/zinc/65/89/97/1127658997.db2.gz KWDUMLAMXPFDGL-XHDPSFHLSA-N 0 1 283.362 3.773 20 0 CHADMN CO[C@@H]1CCN(Cc2nc3ccccc3s2)CC1(C)C ZINC000296148060 1127663875 /nfs/dbraw/zinc/66/38/75/1127663875.db2.gz TVQJYMGEQQRASB-CQSZACIVSA-N 0 1 290.432 3.543 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3CC(F)(F)F)[nH]c2c1 ZINC000296080871 1127662945 /nfs/dbraw/zinc/66/29/45/1127662945.db2.gz VYMILSYMBYNTKR-GFCCVEGCSA-N 0 1 283.297 3.571 20 0 CHADMN Cc1cccc(C)c1OC[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000296158479 1127664536 /nfs/dbraw/zinc/66/45/36/1127664536.db2.gz XDCBFGIENHJLQU-ARFHVFGLSA-N 0 1 299.418 3.563 20 0 CHADMN c1cc2cc(NCCCC3CCOCC3)ccc2cn1 ZINC000296233845 1127665988 /nfs/dbraw/zinc/66/59/88/1127665988.db2.gz AONQOYUQDSQGHI-UHFFFAOYSA-N 0 1 270.376 3.854 20 0 CHADMN O[C@H](CN1CC2(CCC2)[C@H]1c1ccccc1)CC(F)(F)F ZINC000296256336 1127667166 /nfs/dbraw/zinc/66/71/66/1127667166.db2.gz QHYDTMXORQZZOH-UONOGXRCSA-N 0 1 299.336 3.527 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1cc(O)ccc1Cl ZINC000599329457 1127668381 /nfs/dbraw/zinc/66/83/81/1127668381.db2.gz LBUHRNAYLYTRGF-SNVBAGLBSA-N 0 1 273.829 3.619 20 0 CHADMN CC[C@H](N[C@H](C)c1ccc(F)cc1Cl)[C@H](O)C(F)F ZINC000296325559 1127668558 /nfs/dbraw/zinc/66/85/58/1127668558.db2.gz GZOJUCKYYYBTKQ-MKCWBWRRSA-N 0 1 295.732 3.534 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccc(F)cc1Cl)[C@H](O)C(F)F ZINC000296325562 1127668911 /nfs/dbraw/zinc/66/89/11/1127668911.db2.gz GZOJUCKYYYBTKQ-QILRFPOHSA-N 0 1 295.732 3.534 20 0 CHADMN CC[C@@H](NCc1cccnc1N)c1cccc(Cl)c1 ZINC000296382931 1127669929 /nfs/dbraw/zinc/66/99/29/1127669929.db2.gz UGEZNTMDJHXDNY-CQSZACIVSA-N 0 1 275.783 3.558 20 0 CHADMN Cc1occc1CN[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000669699011 1127674977 /nfs/dbraw/zinc/67/49/77/1127674977.db2.gz PWZXFIDZBGGHBG-LBPRGKRZSA-N 0 1 273.380 3.750 20 0 CHADMN Fc1cc(F)c(F)c(CN[C@@H]2CCC23CCC3)c1F ZINC000669701281 1127675319 /nfs/dbraw/zinc/67/53/19/1127675319.db2.gz RARFJRGCKJCRAZ-LLVKDONJSA-N 0 1 273.273 3.665 20 0 CHADMN Cc1cncc([C@@H](C)NCc2ccnc(C(F)(F)F)c2)c1 ZINC000296572666 1127677148 /nfs/dbraw/zinc/67/71/48/1127677148.db2.gz SZNWOPMMTBOLTF-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN CC(C)[C@@H]1CCc2ccccc2[C@@H]1N[C@@H]1CCn2ccnc21 ZINC000296615167 1127678705 /nfs/dbraw/zinc/67/87/05/1127678705.db2.gz YTUKCAPUKIVJLW-CGTJXYLNSA-N 0 1 295.430 3.877 20 0 CHADMN C[C@@H](N[C@H]1Cc2ccc(Cl)cc2C1)c1cscn1 ZINC000669705270 1127685156 /nfs/dbraw/zinc/68/51/56/1127685156.db2.gz VQIBNTQAQYRULM-RNCFNFMXSA-N 0 1 278.808 3.615 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](CO)c2ccc(F)cc2)cs1 ZINC000296913334 1127685768 /nfs/dbraw/zinc/68/57/68/1127685768.db2.gz PJWBTTZOYDBEAE-NHYWBVRUSA-N 0 1 279.380 3.580 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H]1CC(C)(C)c2ccccc21 ZINC000296939426 1127686471 /nfs/dbraw/zinc/68/64/71/1127686471.db2.gz QIDIIZJSQGDTED-BBRMVZONSA-N 0 1 283.419 3.976 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2cccc(C)c2F)n[nH]1 ZINC000296966823 1127686779 /nfs/dbraw/zinc/68/67/79/1127686779.db2.gz URJCKSKBITVHIG-JQWIXIFHSA-N 0 1 290.386 3.617 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000297149756 1127689590 /nfs/dbraw/zinc/68/95/90/1127689590.db2.gz OGHINBHETKSYDG-QXFUBDJGSA-N 0 1 285.338 3.667 20 0 CHADMN CC[C@H](N[C@@H](C)c1nccn1CC)c1ccccc1 ZINC000297156561 1127689912 /nfs/dbraw/zinc/68/99/12/1127689912.db2.gz BDLDWUDERCXGDW-ZFWWWQNUSA-N 0 1 257.381 3.705 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2F)CC1 ZINC000604053793 1127692035 /nfs/dbraw/zinc/69/20/35/1127692035.db2.gz GFOANZQLNNLRMK-CQSZACIVSA-N 0 1 292.398 3.522 20 0 CHADMN CC(C)[C@@H]1CCCN(CC(=O)Nc2ccccc2F)CC1 ZINC000604053793 1127692039 /nfs/dbraw/zinc/69/20/39/1127692039.db2.gz GFOANZQLNNLRMK-CQSZACIVSA-N 0 1 292.398 3.522 20 0 CHADMN CN(Cc1nc(C2CC2)no1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297414672 1127696037 /nfs/dbraw/zinc/69/60/37/1127696037.db2.gz DGCRBSCBLUIDLX-HOTGVXAUSA-N 0 1 297.402 3.715 20 0 CHADMN CC(C)(O)C1CN(Cc2cccc(Oc3ccccc3)c2)C1 ZINC000297424869 1127696347 /nfs/dbraw/zinc/69/63/47/1127696347.db2.gz NUIGQGNCJVHYRQ-UHFFFAOYSA-N 0 1 297.398 3.682 20 0 CHADMN CSCCN(C)Cc1ccc(F)c(F)c1OC(C)C ZINC001238745940 1131240584 /nfs/dbraw/zinc/24/05/84/1131240584.db2.gz GBESRLTTXLZCRT-UHFFFAOYSA-N 0 1 289.391 3.547 20 0 CHADMN Cc1nnc(CN(C)[C@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000297482418 1127697955 /nfs/dbraw/zinc/69/79/55/1127697955.db2.gz JTGJNFKZQQSBOV-CABCVRRESA-N 0 1 287.432 3.615 20 0 CHADMN CC[C@@H](NCc1ccncc1C)c1ccccc1OC ZINC000229658241 1127702158 /nfs/dbraw/zinc/70/21/58/1127702158.db2.gz DGGLXWAGBURUOX-MRXNPFEDSA-N 0 1 270.376 3.640 20 0 CHADMN CN1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(C)(C)C ZINC000604371761 1127702302 /nfs/dbraw/zinc/70/23/02/1127702302.db2.gz JUVDAKWODFJXFT-HZPDHXFCSA-N 0 1 294.483 3.582 20 0 CHADMN CCCC[C@H](N[C@H]1CCn2ccnc21)c1ccc(OC)cc1 ZINC000297791413 1127708342 /nfs/dbraw/zinc/70/83/42/1127708342.db2.gz PYTHQYARGJGUAA-IRXDYDNUSA-N 0 1 299.418 3.858 20 0 CHADMN CCCc1cc(C(=O)N2CCC[C@H](C(C)(C)C)CC2)n[nH]1 ZINC000604749389 1127713505 /nfs/dbraw/zinc/71/35/05/1127713505.db2.gz AURDUSXFVPFWEI-ZDUSSCGKSA-N 0 1 291.439 3.651 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2cccc(F)c2)n1 ZINC000298080628 1127713887 /nfs/dbraw/zinc/71/38/87/1127713887.db2.gz FOLMRBTYJYVHEA-UHFFFAOYSA-N 0 1 265.357 3.534 20 0 CHADMN CC(C)(C)c1nc(SCc2cccc(F)c2)n[nH]1 ZINC000298080628 1127713889 /nfs/dbraw/zinc/71/38/89/1127713889.db2.gz FOLMRBTYJYVHEA-UHFFFAOYSA-N 0 1 265.357 3.534 20 0 CHADMN c1csc(C2(NCc3[nH]nc4ccccc43)CCCC2)n1 ZINC000604770272 1127715204 /nfs/dbraw/zinc/71/52/04/1127715204.db2.gz MLTKMSRESCZKQH-UHFFFAOYSA-N 0 1 298.415 3.579 20 0 CHADMN CCC[C@H](O)CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000298225000 1127716769 /nfs/dbraw/zinc/71/67/69/1127716769.db2.gz HTAWLZIEZNZIBF-AWEZNQCLSA-N 0 1 290.432 3.562 20 0 CHADMN CC(C)[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000604986048 1127723104 /nfs/dbraw/zinc/72/31/04/1127723104.db2.gz ZRCJUVPCZZFOMD-QGZVFWFLSA-N 0 1 297.402 3.727 20 0 CHADMN C[C@H]1CCC[C@H](Sc2nc(C(C)(C)C)n[nH]2)C1 ZINC000605077042 1127728378 /nfs/dbraw/zinc/72/83/78/1127728378.db2.gz WONZBXYHMCSXIR-UWVGGRQHSA-N 0 1 253.415 3.773 20 0 CHADMN C[C@H]1CCC[C@H](Sc2n[nH]c(C(C)(C)C)n2)C1 ZINC000605077042 1127728380 /nfs/dbraw/zinc/72/83/80/1127728380.db2.gz WONZBXYHMCSXIR-UWVGGRQHSA-N 0 1 253.415 3.773 20 0 CHADMN CC(C)C[C@H]1COCCN1CCSc1ccccc1 ZINC000605151006 1127730471 /nfs/dbraw/zinc/73/04/71/1127730471.db2.gz UHICPPKXJOBBDD-HNNXBMFYSA-N 0 1 279.449 3.526 20 0 CHADMN c1cc2c(s1)CCN(CCOC1CCCCCC1)C2 ZINC000605436428 1127736298 /nfs/dbraw/zinc/73/62/98/1127736298.db2.gz YKSCSCZNBWZUPL-UHFFFAOYSA-N 0 1 279.449 3.846 20 0 CHADMN Cc1sc(NC(=O)CN2CCCC23CCC3)c(C)c1C ZINC000365625731 1127736425 /nfs/dbraw/zinc/73/64/25/1127736425.db2.gz HWTQFSZBDPBZAG-UHFFFAOYSA-N 0 1 292.448 3.630 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CCCC12CCC2 ZINC000365638566 1127736601 /nfs/dbraw/zinc/73/66/01/1127736601.db2.gz NCJUZWNTMACZSB-UHFFFAOYSA-N 0 1 286.419 3.514 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)NC3CCCC3)n2)ccc1F ZINC000298888258 1127736783 /nfs/dbraw/zinc/73/67/83/1127736783.db2.gz UAXGHTVFDUQDON-LLVKDONJSA-N 0 1 289.354 3.777 20 0 CHADMN CCCc1ccc(CNCc2cn3cccc(C)c3n2)cc1 ZINC000605818139 1127746520 /nfs/dbraw/zinc/74/65/20/1127746520.db2.gz FDWQDRIHOWJMJQ-UHFFFAOYSA-N 0 1 293.414 3.885 20 0 CHADMN C[C@@H](NC(=O)C=CC1CCCCC1)c1nc2ccccc2[nH]1 ZINC000172070743 1127744641 /nfs/dbraw/zinc/74/46/41/1127744641.db2.gz VARYPGCVZANORK-XZHRJIJLSA-N 0 1 297.402 3.877 20 0 CHADMN C[C@H](N[C@H]1CCC[C@H]2C[C@H]21)c1noc(-c2ccccc2)n1 ZINC000367194620 1127751119 /nfs/dbraw/zinc/75/11/19/1127751119.db2.gz ZWQNDQMFBQMRKO-MHEUCROKSA-N 0 1 283.375 3.576 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1CC(=O)Nc1ccccc1F ZINC000606434218 1127761862 /nfs/dbraw/zinc/76/18/62/1127761862.db2.gz QKOWAZQBSLGQOC-CJNGLKHVSA-N 0 1 292.398 3.665 20 0 CHADMN Cc1nc2c(n1CCc1c(F)cccc1F)CCCC2 ZINC000402018224 1127760768 /nfs/dbraw/zinc/76/07/68/1127760768.db2.gz NSJIUVLLIBBORG-UHFFFAOYSA-N 0 1 276.330 3.591 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1[nH]nc2ccccc21 ZINC000606377837 1127761249 /nfs/dbraw/zinc/76/12/49/1127761249.db2.gz KUIDOSQECKHLHT-DOMZBBRYSA-N 0 1 285.391 3.604 20 0 CHADMN CCN(Cc1coc(-c2ccc(F)c(F)c2)n1)C1CCC1 ZINC000606434477 1127763309 /nfs/dbraw/zinc/76/33/09/1127763309.db2.gz DEWYTPOWZSORJV-UHFFFAOYSA-N 0 1 292.329 3.994 20 0 CHADMN C[C@@H]1c2c(F)cccc2CCN1CCOc1ccccc1 ZINC000606450244 1127764203 /nfs/dbraw/zinc/76/42/03/1127764203.db2.gz SPEPPBXGEJHVFA-CQSZACIVSA-N 0 1 285.362 3.824 20 0 CHADMN CC(C)C[C@H]1COCCN1C[C@@H]1CCC2(CCCCC2)O1 ZINC000409446843 1127768180 /nfs/dbraw/zinc/76/81/80/1127768180.db2.gz QGTQUXWEHQSXSZ-IRXDYDNUSA-N 0 1 295.467 3.615 20 0 CHADMN CCc1ccc([C@H]2COCCN2CC(CC)CC)o1 ZINC000409445891 1127770383 /nfs/dbraw/zinc/77/03/83/1127770383.db2.gz JXVWISOTZCKRRP-OAHLLOKOSA-N 0 1 265.397 3.652 20 0 CHADMN CCc1ccc([C@@H]2COCCN2CC(CC)CC)o1 ZINC000409445890 1127770524 /nfs/dbraw/zinc/77/05/24/1127770524.db2.gz JXVWISOTZCKRRP-HNNXBMFYSA-N 0 1 265.397 3.652 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000062877146 1127780325 /nfs/dbraw/zinc/78/03/25/1127780325.db2.gz KGZOHTGAEHLHBM-SFHVURJKSA-N 0 1 289.419 3.689 20 0 CHADMN Fc1ccccc1[C@@H](Cc1ccccc1)NCc1cn[nH]c1 ZINC000607168227 1127793841 /nfs/dbraw/zinc/79/38/41/1127793841.db2.gz SCWWVLZRDNRREH-GOSISDBHSA-N 0 1 295.361 3.622 20 0 CHADMN CCS[C@H]1CCCCN(Cc2ncc(C3CC3)o2)C1 ZINC000372382035 1127798354 /nfs/dbraw/zinc/79/83/54/1127798354.db2.gz BHGLRRAOJKFOHB-ZDUSSCGKSA-N 0 1 280.437 3.660 20 0 CHADMN C[C@@H](c1cn(-c2ccccc2)nn1)N1C[C@H](C)CC(C)(C)C1 ZINC001168423441 1127815900 /nfs/dbraw/zinc/81/59/00/1127815900.db2.gz KJEYVMSOKXTOHA-CABCVRRESA-N 0 1 298.434 3.696 20 0 CHADMN Fc1ccc(CN[C@@H]2CCOc3c(F)cccc32)cc1F ZINC000372879127 1127816925 /nfs/dbraw/zinc/81/69/25/1127816925.db2.gz PSLAZBSEYLDLTJ-OAHLLOKOSA-N 0 1 293.288 3.717 20 0 CHADMN Clc1scc(CN[C@@H]2CCO[C@@H]2C2CC2)c1Cl ZINC000372888742 1127818048 /nfs/dbraw/zinc/81/80/48/1127818048.db2.gz DMUPACHXIPFTOI-MWLCHTKSSA-N 0 1 292.231 3.712 20 0 CHADMN Clc1scc(CN[C@H]2CCO[C@H]2C2CC2)c1Cl ZINC000372888744 1127818169 /nfs/dbraw/zinc/81/81/69/1127818169.db2.gz DMUPACHXIPFTOI-ONGXEEELSA-N 0 1 292.231 3.712 20 0 CHADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cn1cc[nH]c1=S ZINC000173352222 1127820118 /nfs/dbraw/zinc/82/01/18/1127820118.db2.gz CKJBWNZERUQXSK-DGCLKSJQSA-N 0 1 291.395 3.520 20 0 CHADMN Cc1ccc(NC(=O)CN2CCCC(C)(C)CC2)c(F)c1 ZINC000607748756 1127823554 /nfs/dbraw/zinc/82/35/54/1127823554.db2.gz GDVNSHGOCHPWEN-UHFFFAOYSA-N 0 1 292.398 3.585 20 0 CHADMN C[C@@H](NC1CC(OCc2ccccc2)C1)c1nccs1 ZINC000373319503 1127833630 /nfs/dbraw/zinc/83/36/30/1127833630.db2.gz QLTXQXKKLZXHIJ-LRVUVFPRSA-N 0 1 288.416 3.542 20 0 CHADMN CCc1oc2ccccc2c1CN(C)[C@@H](C)c1n[nH]c(C)n1 ZINC000411125987 1127840985 /nfs/dbraw/zinc/84/09/85/1127840985.db2.gz MYZQPSGIOIRMQF-NSHDSACASA-N 0 1 298.390 3.615 20 0 CHADMN Clc1ccc(CN2CCCC3(CCC3)C2)cn1 ZINC000373413425 1127841759 /nfs/dbraw/zinc/84/17/59/1127841759.db2.gz RCOOKIILQAGEAN-UHFFFAOYSA-N 0 1 250.773 3.501 20 0 CHADMN CCC(CC)c1cc(CNCc2[nH]nc3ccccc32)on1 ZINC000608062115 1127842254 /nfs/dbraw/zinc/84/22/54/1127842254.db2.gz URUGTZIDAXDGRV-UHFFFAOYSA-N 0 1 298.390 3.744 20 0 CHADMN Fc1cccc([C@@H]2C[C@@H]2N2CCc3sccc3C2)c1 ZINC000411144600 1127842914 /nfs/dbraw/zinc/84/29/14/1127842914.db2.gz PVMIUKHBOJVMSV-GJZGRUSLSA-N 0 1 273.376 3.801 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)CCc1cncs1 ZINC000411171216 1127845318 /nfs/dbraw/zinc/84/53/18/1127845318.db2.gz IMCCBRGBMOGJIZ-SNVBAGLBSA-N 0 1 282.359 3.657 20 0 CHADMN c1ccc(-c2n[nH]c(SCCC3CCCCC3)n2)nc1 ZINC000608102089 1127849539 /nfs/dbraw/zinc/84/95/39/1127849539.db2.gz ASQMHRVNNXBWNJ-UHFFFAOYSA-N 0 1 288.420 3.929 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000373689749 1127857345 /nfs/dbraw/zinc/85/73/45/1127857345.db2.gz KJQKEZJYELSUKH-WMLDXEAASA-N 0 1 292.386 3.553 20 0 CHADMN COC(=O)c1cc(CN[C@H](C)c2ccc(C)cc2)cs1 ZINC000411465159 1127860693 /nfs/dbraw/zinc/86/06/93/1127860693.db2.gz VYNMLXMFXDWGSY-GFCCVEGCSA-N 0 1 289.400 3.694 20 0 CHADMN C[N@@H+](CCC1CC1)Cc1cc(Br)ccc1F ZINC000608493617 1127870610 /nfs/dbraw/zinc/87/06/10/1127870610.db2.gz MTKUHHNKXNJBNX-UHFFFAOYSA-N 0 1 286.188 3.820 20 0 CHADMN Cc1ccc(-c2noc(CN3C4CCCC3CCC4)n2)cc1 ZINC000608499674 1127871070 /nfs/dbraw/zinc/87/10/70/1127871070.db2.gz VDELALUTRQHBHW-UHFFFAOYSA-N 0 1 297.402 3.952 20 0 CHADMN Cc1cccn2cc(CN3C4CCCC3CCC4)nc12 ZINC000608498987 1127871642 /nfs/dbraw/zinc/87/16/42/1127871642.db2.gz ORLIBMSIJHDQOE-UHFFFAOYSA-N 0 1 269.392 3.550 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN2C3CCCC2CCC3)c1 ZINC000608499450 1127872082 /nfs/dbraw/zinc/87/20/82/1127872082.db2.gz KMTRKLLVJJHNAB-UHFFFAOYSA-N 0 1 286.419 3.649 20 0 CHADMN C[C@@H]1CN(CCOc2ccccc2Cl)C[C@H](C)S1 ZINC000608503145 1127873086 /nfs/dbraw/zinc/87/30/86/1127873086.db2.gz OLSHRDKRTAVJRP-TXEJJXNPSA-N 0 1 285.840 3.545 20 0 CHADMN CC1(C)CN([C@@H]2C[C@H]2c2cccc(F)c2)[C@H]1[C@H]1CCCO1 ZINC000411750883 1127873373 /nfs/dbraw/zinc/87/33/73/1127873373.db2.gz NEAGXPQIMYSXIC-HZMVEIRTSA-N 0 1 289.394 3.571 20 0 CHADMN CCN(Cc1cccnc1)Cc1cc(C)c(C)cc1OC ZINC001238763811 1131241476 /nfs/dbraw/zinc/24/14/76/1131241476.db2.gz OFMPSVKMWYKYOZ-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnc(C)cn1)c1ccccc1 ZINC000411883068 1127878138 /nfs/dbraw/zinc/87/81/38/1127878138.db2.gz APCXHZMTFKPRIC-UKRRQHHQSA-N 0 1 255.365 3.587 20 0 CHADMN Cc1ccc(C)c(OCCCN[C@@H](C)c2nccs2)c1 ZINC000411879374 1127878576 /nfs/dbraw/zinc/87/85/76/1127878576.db2.gz ZLJSJWBDHMTCJB-AWEZNQCLSA-N 0 1 290.432 3.880 20 0 CHADMN O[C@H]1C[C@@H](c2ccccc2)N(Cc2ccc(Cl)cc2)C1 ZINC000411950658 1127881271 /nfs/dbraw/zinc/88/12/71/1127881271.db2.gz RFEOPCTZGGYKCW-IRXDYDNUSA-N 0 1 287.790 3.648 20 0 CHADMN Cc1cnc(CN2C[C@@H](c3ccccc3)C3(CCC3)C2)nc1 ZINC000411993850 1127885139 /nfs/dbraw/zinc/88/51/39/1127885139.db2.gz XZIHXWJTRVOMQY-KRWDZBQOSA-N 0 1 293.414 3.555 20 0 CHADMN CCCOc1ccc(F)cc1-n1c(N)nc2ccccc21 ZINC001212195138 1127890050 /nfs/dbraw/zinc/89/00/50/1127890050.db2.gz ALGGCPAKNQTNHX-UHFFFAOYSA-N 0 1 285.322 3.536 20 0 CHADMN CC(C)c1nc(C[N@H+]2CC(C)(C)C[C@@H]2C)cs1 ZINC000412034397 1127890493 /nfs/dbraw/zinc/89/04/93/1127890493.db2.gz FEJBIDOYOAEGOH-NSHDSACASA-N 0 1 252.427 3.887 20 0 CHADMN CC(C)c1nc(CN2CC(C)(C)C[C@@H]2C)cs1 ZINC000412034397 1127890498 /nfs/dbraw/zinc/89/04/98/1127890498.db2.gz FEJBIDOYOAEGOH-NSHDSACASA-N 0 1 252.427 3.887 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC(C)(C)C[C@@H]2C)c(F)c1 ZINC000412036863 1127890735 /nfs/dbraw/zinc/89/07/35/1127890735.db2.gz HGEXCLSQNYDHHH-QWHCGFSZSA-N 0 1 292.398 3.582 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N2CC(C)(C)C[C@@H]2C)c(F)c1 ZINC000412036863 1127890741 /nfs/dbraw/zinc/89/07/41/1127890741.db2.gz HGEXCLSQNYDHHH-QWHCGFSZSA-N 0 1 292.398 3.582 20 0 CHADMN Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CC(C)(C)C[C@@H]1C ZINC000412046182 1127892158 /nfs/dbraw/zinc/89/21/58/1127892158.db2.gz QOUDFQUNKAZXPF-QWHCGFSZSA-N 0 1 292.398 3.582 20 0 CHADMN Cc1cccc(C[N@H+](C)Cc2cc(C)cc(O)c2)c1 ZINC001232879075 1127899508 /nfs/dbraw/zinc/89/95/08/1127899508.db2.gz AUQAOCWRTMAMON-UHFFFAOYSA-N 0 1 255.361 3.641 20 0 CHADMN CC[N@@H+](Cn1c(=O)oc2ccc(Cl)cc21)[C@@H](C)C(C)C ZINC000064111929 1127899631 /nfs/dbraw/zinc/89/96/31/1127899631.db2.gz ZCYIGNCUYJFUES-NSHDSACASA-N 0 1 296.798 3.572 20 0 CHADMN CCN(Cn1c(=O)oc2ccc(Cl)cc21)[C@@H](C)C(C)C ZINC000064111929 1127899634 /nfs/dbraw/zinc/89/96/34/1127899634.db2.gz ZCYIGNCUYJFUES-NSHDSACASA-N 0 1 296.798 3.572 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cc([O-])c(F)c(F)c2)C[C@H]1C ZINC001232969984 1127905275 /nfs/dbraw/zinc/90/52/75/1127905275.db2.gz FATJHNCWELSFON-WDEREUQCSA-N 0 1 269.335 3.538 20 0 CHADMN CO[C@H]1CCCN(Cc2csc(C3CCCC3)n2)CC1 ZINC000374676764 1127909834 /nfs/dbraw/zinc/90/98/34/1127909834.db2.gz HWPMZEIINMPREE-HNNXBMFYSA-N 0 1 294.464 3.802 20 0 CHADMN CN(CCc1ccccc1Cl)Cc1cccc(O)c1F ZINC001233053527 1127915129 /nfs/dbraw/zinc/91/51/29/1127915129.db2.gz RRAAIFMAPZNDAN-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN Fc1cc(Br)ccc1CN1CC[C@H](C2CC2)C1 ZINC000400038710 1127916039 /nfs/dbraw/zinc/91/60/39/1127916039.db2.gz MZFMTCQGMBUBDW-NSHDSACASA-N 0 1 298.199 3.820 20 0 CHADMN CCOc1nnc(CN[C@@H](CCC(C)C)C(C)(C)C)s1 ZINC000539492740 1127925685 /nfs/dbraw/zinc/92/56/85/1127925685.db2.gz APMFSXHNBUVJCP-LBPRGKRZSA-N 0 1 299.484 3.877 20 0 CHADMN Cc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccsc1 ZINC000669828501 1127926359 /nfs/dbraw/zinc/92/63/59/1127926359.db2.gz OECWWWRSPPSQEW-QWHCGFSZSA-N 0 1 288.416 3.734 20 0 CHADMN CC[C@@H]1CCCCN1C(=O)[C@H](C)N[C@@H](C)c1ccsc1 ZINC000669828268 1127926793 /nfs/dbraw/zinc/92/67/93/1127926793.db2.gz ISMVXIGZOZJPMD-KCQAQPDRSA-N 0 1 294.464 3.578 20 0 CHADMN CN(C)c1ccc(CN2CCC(C(C)(C)C)CC2)c(F)n1 ZINC001233115022 1127926828 /nfs/dbraw/zinc/92/68/28/1127926828.db2.gz TWSLFCYSKCDIEB-UHFFFAOYSA-N 0 1 293.430 3.545 20 0 CHADMN CC[C@@H]1CCCCN1C(=O)[C@H](C)N[C@H](C)c1ccsc1 ZINC000669828270 1127926941 /nfs/dbraw/zinc/92/69/41/1127926941.db2.gz ISMVXIGZOZJPMD-VNHYZAJKSA-N 0 1 294.464 3.578 20 0 CHADMN CCCCN(C(=O)c1cc(C(F)F)[nH]n1)C1CCCCC1 ZINC000900422022 1127935903 /nfs/dbraw/zinc/93/59/03/1127935903.db2.gz CGNRDHNJBWQQMW-UHFFFAOYSA-N 0 1 299.365 3.922 20 0 CHADMN OCCCN1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000375114767 1127931400 /nfs/dbraw/zinc/93/14/00/1127931400.db2.gz NNRICHCDLJEYKT-CQSZACIVSA-N 0 1 287.325 3.615 20 0 CHADMN Cc1nc([C@@H](C)Sc2nc3cc(Cl)ccc3o2)n[nH]1 ZINC000412975214 1127934448 /nfs/dbraw/zinc/93/44/48/1127934448.db2.gz FLYVVXYYXQNYGQ-ZCFIWIBFSA-N 0 1 294.767 3.761 20 0 CHADMN C[C@H](NC1(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000539655312 1127934671 /nfs/dbraw/zinc/93/46/71/1127934671.db2.gz PQMOZLNQMNLFJM-LBPRGKRZSA-N 0 1 299.345 3.894 20 0 CHADMN CC[C@@H](C[N@@H+](C)[C@H](C)c1nc2ccccc2s1)OC ZINC000412980585 1127935113 /nfs/dbraw/zinc/93/51/13/1127935113.db2.gz XTYBBCNMKNSGMC-NEPJUHHUSA-N 0 1 278.421 3.714 20 0 CHADMN CC[C@@H](CN(C)[C@H](C)c1nc2ccccc2s1)OC ZINC000412980585 1127935115 /nfs/dbraw/zinc/93/51/15/1127935115.db2.gz XTYBBCNMKNSGMC-NEPJUHHUSA-N 0 1 278.421 3.714 20 0 CHADMN Cc1ccc(C(=O)CCN2CC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000470947055 1127935619 /nfs/dbraw/zinc/93/56/19/1127935619.db2.gz MTABPWMVNGIPMU-TZMCWYRMSA-N 0 1 299.336 3.841 20 0 CHADMN Cc1nc([C@H](C)SCc2cccc(OC(F)F)c2)n[nH]1 ZINC000412995139 1127936692 /nfs/dbraw/zinc/93/66/92/1127936692.db2.gz BZEBRBBDXFMJFY-QMMMGPOBSA-N 0 1 299.346 3.709 20 0 CHADMN COc1cc(CN2CC[C@@H](C)[C@@H](C)C2)cc(Cl)c1OC ZINC000539825739 1127940741 /nfs/dbraw/zinc/94/07/41/1127940741.db2.gz XAJIPZJKWMMJLU-NEPJUHHUSA-N 0 1 297.826 3.835 20 0 CHADMN C[C@H](N[C@H]1CCO[C@H]1C1CC1)c1ncc(-c2ccccc2)o1 ZINC000375436632 1127944356 /nfs/dbraw/zinc/94/43/56/1127944356.db2.gz LDKQPOHFWPVEBN-NUTKFTJISA-N 0 1 298.386 3.560 20 0 CHADMN CC(C)(O)CN(Cc1ccc(Cl)o1)Cc1ccccc1 ZINC001233316882 1127947591 /nfs/dbraw/zinc/94/75/91/1127947591.db2.gz JFMNUWWTDLOXEH-UHFFFAOYSA-N 0 1 293.794 3.706 20 0 CHADMN CC[C@]1(C)CCN(Cc2cc(F)c(F)c(F)c2)C1 ZINC000539851981 1127948879 /nfs/dbraw/zinc/94/88/79/1127948879.db2.gz ZHFKGBZGEHVUND-CQSZACIVSA-N 0 1 257.299 3.726 20 0 CHADMN FCCC[C@@H]1CCC[C@@H]1Nc1cnn(-c2ccncc2)c1 ZINC000669849048 1127953141 /nfs/dbraw/zinc/95/31/41/1127953141.db2.gz GRZATVIZAZUGSQ-BBRMVZONSA-N 0 1 288.370 3.598 20 0 CHADMN FCCC[C@H]1CCC[C@H]1Nc1cnn(-c2ccncc2)c1 ZINC000669849050 1127953339 /nfs/dbraw/zinc/95/33/39/1127953339.db2.gz GRZATVIZAZUGSQ-CZUORRHYSA-N 0 1 288.370 3.598 20 0 CHADMN C[C@]1(F)CCCN(Cc2cc3cccnc3s2)C1 ZINC001233346201 1127953625 /nfs/dbraw/zinc/95/36/25/1127953625.db2.gz VFBXJSDXRXRNSH-AWEZNQCLSA-N 0 1 264.369 3.620 20 0 CHADMN c1ccc2c(c1)-c1ccccc1C2N1C[C@H]2CC[C@@H](C1)O2 ZINC000467139379 1127956804 /nfs/dbraw/zinc/95/68/04/1127956804.db2.gz RXBQGCNMGRUGBG-OKILXGFUSA-N 0 1 277.367 3.620 20 0 CHADMN CC[C@H]1C[C@H](C)CN1Cc1nc2c(cccc2F)n1CC ZINC000467203970 1127959651 /nfs/dbraw/zinc/95/96/51/1127959651.db2.gz BJLUEURRTZHPFG-STQMWFEESA-N 0 1 289.398 3.816 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](CO)c2cccc(F)c2)s1 ZINC000540186583 1127968218 /nfs/dbraw/zinc/96/82/18/1127968218.db2.gz ZFHBBWKUAFACAO-XHDPSFHLSA-N 0 1 293.407 3.834 20 0 CHADMN Fc1cccc(-c2cnc(CNC3(C4CC4)CC3)o2)c1 ZINC000544415751 1127971874 /nfs/dbraw/zinc/97/18/74/1127971874.db2.gz PUDJDCQCNZTXHK-UHFFFAOYSA-N 0 1 272.323 3.513 20 0 CHADMN CCC(CC)[C@H](NCc1ccno1)c1ccccc1 ZINC000540353664 1127975972 /nfs/dbraw/zinc/97/59/72/1127975972.db2.gz ZIHGQNLJVNURET-INIZCTEOSA-N 0 1 258.365 3.942 20 0 CHADMN Cc1ccc([C@H](NCc2ccc(C)nc2)C2CCC2)o1 ZINC000544579746 1127976964 /nfs/dbraw/zinc/97/69/64/1127976964.db2.gz CTAUBNKBOYGSQN-QGZVFWFLSA-N 0 1 270.376 3.922 20 0 CHADMN C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@H](C)c1ccon1 ZINC000544602670 1127978207 /nfs/dbraw/zinc/97/82/07/1127978207.db2.gz AUYBQKHNODZKPM-GHMZBOCLSA-N 0 1 298.308 3.975 20 0 CHADMN Cn1nccc1[C@@H]1CCCCN1C/C=C/c1ccc(F)cc1 ZINC000467538647 1127972917 /nfs/dbraw/zinc/97/29/17/1127972917.db2.gz XOHXONBCLDWHQT-WRFKIARRSA-N 0 1 299.393 3.800 20 0 CHADMN CCC[C@H](C)CN(Cc1cc[nH]n1)Cc1ccccc1 ZINC000540496309 1127980897 /nfs/dbraw/zinc/98/08/97/1127980897.db2.gz NHSDEPJNRPHYTI-HNNXBMFYSA-N 0 1 271.408 3.848 20 0 CHADMN COc1ccc(Br)c(CN2CC[C@@H]2C(C)C)c1 ZINC000540501393 1127981952 /nfs/dbraw/zinc/98/19/52/1127981952.db2.gz RRALEPNKADSKPO-CQSZACIVSA-N 0 1 298.224 3.688 20 0 CHADMN CCCc1noc(CN[C@@H](CCC)C2CCCCC2)n1 ZINC000540592759 1127984914 /nfs/dbraw/zinc/98/49/14/1127984914.db2.gz SHPCRTOQEAJVPQ-AWEZNQCLSA-N 0 1 279.428 3.861 20 0 CHADMN CCOc1cccc(CN[C@@H](C)c2c(C)cccc2C)n1 ZINC000544837729 1127985826 /nfs/dbraw/zinc/98/58/26/1127985826.db2.gz GLQCZOWEEFJUQW-HNNXBMFYSA-N 0 1 284.403 3.948 20 0 CHADMN CCc1ccc(CNc2cnccc2-n2cc(C)cn2)s1 ZINC000540621117 1127986637 /nfs/dbraw/zinc/98/66/37/1127986637.db2.gz ZXFNYXOEFVNYEQ-UHFFFAOYSA-N 0 1 298.415 3.812 20 0 CHADMN CCC(C)(C)CCN1CCO[C@@H](c2ccsc2)C1 ZINC000468124059 1127993908 /nfs/dbraw/zinc/99/39/08/1127993908.db2.gz KTRSOUXZAIZQAW-CQSZACIVSA-N 0 1 267.438 3.948 20 0 CHADMN COCCCCCN1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000468128875 1127994212 /nfs/dbraw/zinc/99/42/12/1127994212.db2.gz IWHXDHZMXVOMDH-LBPRGKRZSA-N 0 1 283.362 3.701 20 0 CHADMN CC(C)c1cccc(NC(=O)CN2CCC3(CCC3)C2)c1 ZINC000468146234 1127994631 /nfs/dbraw/zinc/99/46/31/1127994631.db2.gz OSGBCOQZESMVGV-UHFFFAOYSA-N 0 1 286.419 3.625 20 0 CHADMN Cc1ccc(-c2cc(-c3nc([C@@H]4C[C@@H]4C)no3)[nH]n2)cc1 ZINC000545064639 1127998248 /nfs/dbraw/zinc/99/82/48/1127998248.db2.gz PNOSFCNGNFFYCZ-CMPLNLGQSA-N 0 1 280.331 3.559 20 0 CHADMN Cc1cc(CN[C@H](C)CCC2CCCCC2)no1 ZINC000468378377 1128004401 /nfs/dbraw/zinc/00/44/01/1128004401.db2.gz VHDGWOMUFARVPK-GFCCVEGCSA-N 0 1 250.386 3.822 20 0 CHADMN Cc1cc(CN[C@@H](C)CCC2CCCCC2)no1 ZINC000468378378 1128004603 /nfs/dbraw/zinc/00/46/03/1128004603.db2.gz VHDGWOMUFARVPK-LBPRGKRZSA-N 0 1 250.386 3.822 20 0 CHADMN CCc1cccc(CSc2nc(-c3cccnc3)n[nH]2)c1 ZINC000468469473 1128009317 /nfs/dbraw/zinc/00/93/17/1128009317.db2.gz LYZXKVCIGPXFNU-UHFFFAOYSA-N 0 1 296.399 3.721 20 0 CHADMN C[C@@H]1CCN(Cc2nc(-c3ccccc3)no2)CC1(C)C ZINC000545419095 1128014210 /nfs/dbraw/zinc/01/42/10/1128014210.db2.gz BAZVROLJWCCNCH-CYBMUJFWSA-N 0 1 285.391 3.605 20 0 CHADMN FCCN[C@H]1CCc2c1cc(Br)cc2Cl ZINC000308907205 1128015902 /nfs/dbraw/zinc/01/59/02/1128015902.db2.gz DYIOEWMFYHESDT-NSHDSACASA-N 0 1 292.579 3.649 20 0 CHADMN Cc1cc(N[C@@H]2CCOC2)c2cc(Cl)cc(C)c2n1 ZINC000468744699 1128019055 /nfs/dbraw/zinc/01/90/55/1128019055.db2.gz ODBGMKZMCNHXFA-GFCCVEGCSA-N 0 1 276.767 3.706 20 0 CHADMN CCc1ncc(CN2CCCCC[C@H]2c2ccco2)o1 ZINC000929676581 1128018689 /nfs/dbraw/zinc/01/86/89/1128018689.db2.gz QSIAPKNRYAHCPC-AWEZNQCLSA-N 0 1 274.364 3.947 20 0 CHADMN CCc1cccc(CN2CCO[C@H](c3ccccc3)C2)c1 ZINC000468805491 1128023268 /nfs/dbraw/zinc/02/32/68/1128023268.db2.gz DAKVEXQCLIOOHH-IBGZPJMESA-N 0 1 281.399 3.823 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SC/C=C\Cl)n2)o1 ZINC000913611184 1128031576 /nfs/dbraw/zinc/03/15/76/1128031576.db2.gz IUIHRPMMROBYBO-KYKRFQMKSA-N 0 1 281.768 3.721 20 0 CHADMN CCC[C@H](NCc1nc2ccc(C)cc2[nH]1)c1cccnc1 ZINC000541733797 1128035723 /nfs/dbraw/zinc/03/57/23/1128035723.db2.gz NHVNFCOXDQUSBV-HNNXBMFYSA-N 0 1 294.402 3.897 20 0 CHADMN C[C@@H]1CN(C/C=C/c2ccc(F)cc2F)C[C@H](C)S1 ZINC000541772863 1128038323 /nfs/dbraw/zinc/03/83/23/1128038323.db2.gz LCMQXLGWLJSBSN-ROUHBEFFSA-N 0 1 283.387 3.804 20 0 CHADMN CCc1cc(C(=O)N2CCCCC[C@@H]2c2ccccc2)n[nH]1 ZINC000302993202 1128047804 /nfs/dbraw/zinc/04/78/04/1128047804.db2.gz LPKLVLDPVOJWRD-QGZVFWFLSA-N 0 1 297.402 3.730 20 0 CHADMN OC[C@H](NC/C=C/c1ccc(Cl)cc1)c1ccsc1 ZINC000469794814 1128054064 /nfs/dbraw/zinc/05/40/64/1128054064.db2.gz VVUGFSHFEFVLOI-YLSAJCSVSA-N 0 1 293.819 3.738 20 0 CHADMN O=C(c1cccc(F)c1O)N1CCC(c2ccccc2)CC1 ZINC000929724352 1128055034 /nfs/dbraw/zinc/05/50/34/1128055034.db2.gz QKSAOUXEYBAKMX-UHFFFAOYSA-N 0 1 299.345 3.551 20 0 CHADMN CCCCN(C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000303151934 1128055736 /nfs/dbraw/zinc/05/57/36/1128055736.db2.gz VVNHYYDJWSHPPW-UHFFFAOYSA-N 0 1 286.206 3.873 20 0 CHADMN CCCc1noc(CN2CCCC3(CCCCC3)CC2)n1 ZINC000469865744 1128056957 /nfs/dbraw/zinc/05/69/57/1128056957.db2.gz YXJVICFRGKKJMR-UHFFFAOYSA-N 0 1 291.439 3.959 20 0 CHADMN Fc1ccccc1CCN1CCc2cccc(F)c2C1 ZINC000469970029 1128059968 /nfs/dbraw/zinc/05/99/68/1128059968.db2.gz VPTMKFLQMHJTFM-UHFFFAOYSA-N 0 1 273.326 3.566 20 0 CHADMN c1sc(CN2CCc3ccccc3CC2)nc1C1CC1 ZINC000542279415 1128060782 /nfs/dbraw/zinc/06/07/82/1128060782.db2.gz VDEATTWIEOHASE-UHFFFAOYSA-N 0 1 284.428 3.621 20 0 CHADMN CCc1cnc(CN2CC[C@@H](c3cc(C)cc(C)c3)C2)o1 ZINC000542317168 1128063236 /nfs/dbraw/zinc/06/32/36/1128063236.db2.gz BTBVCMYVPZFGJS-OAHLLOKOSA-N 0 1 284.403 3.843 20 0 CHADMN CC(C)CCC1CCN(C(=O)c2cc(C(C)C)[nH]n2)CC1 ZINC000470247918 1128067020 /nfs/dbraw/zinc/06/70/20/1128067020.db2.gz WHODXYWWQCIZSH-UHFFFAOYSA-N 0 1 291.439 3.822 20 0 CHADMN C[C@@H](CC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1)C(C)(C)C ZINC000470352724 1128069610 /nfs/dbraw/zinc/06/96/10/1128069610.db2.gz QVJOHEIQQRTEFS-LBPRGKRZSA-N 0 1 293.455 3.738 20 0 CHADMN C[C@@H]1CCC[C@H]1CC(=O)Nc1cccc(Cl)c1O ZINC000470406550 1128070805 /nfs/dbraw/zinc/07/08/05/1128070805.db2.gz BWZJMGMLHTZNQX-ZJUUUORDSA-N 0 1 267.756 3.810 20 0 CHADMN C[C@H](N(Cc1cc[nH]n1)Cc1ccccc1)C(C)(C)C ZINC000470552616 1128073085 /nfs/dbraw/zinc/07/30/85/1128073085.db2.gz YGJCEWGQTWITGA-AWEZNQCLSA-N 0 1 271.408 3.847 20 0 CHADMN C[C@@H](c1ccncc1)N1CC[C@](F)(c2ccccc2)C1 ZINC000669942975 1128083690 /nfs/dbraw/zinc/08/36/90/1128083690.db2.gz DJBDWMHFZFBODF-WMLDXEAASA-N 0 1 270.351 3.713 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cccc(F)c1 ZINC000470948871 1128082946 /nfs/dbraw/zinc/08/29/46/1128082946.db2.gz VRGZGPPUYXGFOO-CABZTGNLSA-N 0 1 261.262 3.598 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N1CCC[C@](C)(O)CC1 ZINC000471076476 1128086066 /nfs/dbraw/zinc/08/60/66/1128086066.db2.gz NKIFCFSCBMALKO-NHYWBVRUSA-N 0 1 285.790 3.777 20 0 CHADMN CC(C)SCCSc1nc(-c2ccccc2)n[nH]1 ZINC000800831252 1128093019 /nfs/dbraw/zinc/09/30/19/1128093019.db2.gz LEHPANOAUVLZQV-UHFFFAOYSA-N 0 1 279.434 3.705 20 0 CHADMN C[C@H](NC1CC1)c1ncc(C(F)(F)F)cc1Cl ZINC000924532911 1128101731 /nfs/dbraw/zinc/10/17/31/1128101731.db2.gz VTBDJUODZISSNK-LURJTMIESA-N 0 1 264.678 3.567 20 0 CHADMN C[C@@H]1CCCN1Cc1csc(Nc2ccccc2)n1 ZINC000174419602 1128101866 /nfs/dbraw/zinc/10/18/66/1128101866.db2.gz PHXQDRJIYKCGFY-GFCCVEGCSA-N 0 1 273.405 3.871 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccc1)c1cccc2c1OCO2 ZINC000924543160 1128103809 /nfs/dbraw/zinc/10/38/09/1128103809.db2.gz QAMCONGSLHVXEQ-QWHCGFSZSA-N 0 1 269.344 3.827 20 0 CHADMN C[C@@H](NCc1cccs1)c1ccnn1C1CCC1 ZINC000924556429 1128104320 /nfs/dbraw/zinc/10/43/20/1128104320.db2.gz FAHRVOGCDPTIER-LLVKDONJSA-N 0 1 261.394 3.520 20 0 CHADMN CSCCN[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000924550511 1128104486 /nfs/dbraw/zinc/10/44/86/1128104486.db2.gz GFHGTLNQOSXLMB-OAHLLOKOSA-N 0 1 292.835 3.777 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3c2nccc3Cl)cc1 ZINC000924549668 1128104508 /nfs/dbraw/zinc/10/45/08/1128104508.db2.gz XHEDXUMXRDXWSH-OAHLLOKOSA-N 0 1 272.779 3.821 20 0 CHADMN CCc1nc(CN[C@@H]2CC23CCCCC3)cs1 ZINC000386916778 1128107447 /nfs/dbraw/zinc/10/74/47/1128107447.db2.gz DIVSYLNGBHQWPZ-GFCCVEGCSA-N 0 1 250.411 3.518 20 0 CHADMN C[C@H](NCc1cccc(F)c1)c1ccnn1CC1CCC1 ZINC000924610418 1128107528 /nfs/dbraw/zinc/10/75/28/1128107528.db2.gz QHOKYHPTBKQTGA-ZDUSSCGKSA-N 0 1 287.382 3.673 20 0 CHADMN CCc1nc(CN[C@H]2CC23CCCCC3)cs1 ZINC000386916779 1128107709 /nfs/dbraw/zinc/10/77/09/1128107709.db2.gz DIVSYLNGBHQWPZ-LBPRGKRZSA-N 0 1 250.411 3.518 20 0 CHADMN Cc1csc(CN[C@H]2CCc3cccc(C)c32)n1 ZINC000924614168 1128108431 /nfs/dbraw/zinc/10/84/31/1128108431.db2.gz IITBEPMXOREKLT-ZDUSSCGKSA-N 0 1 258.390 3.537 20 0 CHADMN C[C@@H](N[C@H]1CCCc2occc21)c1cnn(C2CCC2)c1 ZINC000924642118 1128109040 /nfs/dbraw/zinc/10/90/40/1128109040.db2.gz APSHZQOJXAKODC-WBMJQRKESA-N 0 1 285.391 3.929 20 0 CHADMN Clc1ccnc2c1CC[C@H]2NCc1ccsc1 ZINC000924665753 1128109322 /nfs/dbraw/zinc/10/93/22/1128109322.db2.gz OHBCIJQQUZZEGE-GFCCVEGCSA-N 0 1 264.781 3.574 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCc3c(Cl)ccnc32)cn1 ZINC000924694378 1128109952 /nfs/dbraw/zinc/10/99/52/1128109952.db2.gz FWZXGPJAXPCLKH-OAHLLOKOSA-N 0 1 287.794 3.606 20 0 CHADMN COc1ccnc([C@@H](C)N[C@H](C)c2ccc(C)cc2)c1 ZINC000924715443 1128111085 /nfs/dbraw/zinc/11/10/85/1128111085.db2.gz VBPXDSHROYFTQB-ZIAGYGMSSA-N 0 1 270.376 3.810 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H](C)c1ccnnc1 ZINC000924722077 1128111531 /nfs/dbraw/zinc/11/15/31/1128111531.db2.gz FMKZJFVECQLTJL-WFASDCNBSA-N 0 1 285.391 3.742 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@H](C)c1ccnnc1 ZINC000924722073 1128111839 /nfs/dbraw/zinc/11/18/39/1128111839.db2.gz FMKZJFVECQLTJL-IUODEOHRSA-N 0 1 285.391 3.742 20 0 CHADMN Cc1ccsc1CN[C@H]1CCc2c1nccc2Cl ZINC000924793943 1128113147 /nfs/dbraw/zinc/11/31/47/1128113147.db2.gz NVNSANZXNWTLGV-LBPRGKRZSA-N 0 1 278.808 3.882 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)C1CCC1)c1cn(C)cn1 ZINC000924941429 1128117388 /nfs/dbraw/zinc/11/73/88/1128117388.db2.gz CIZADKOYOFZZRU-SUMWQHHRSA-N 0 1 269.392 3.612 20 0 CHADMN CCC[C@H](NC[C@H](O)[C@H](C)CC)c1ncccc1Cl ZINC000925045504 1128120219 /nfs/dbraw/zinc/12/02/19/1128120219.db2.gz LHOKOLGFKNOEBN-XBFCOCLRSA-N 0 1 284.831 3.573 20 0 CHADMN Cc1nc2ccc(COc3ccc(C)nc3Cl)cc2[nH]1 ZINC000777545312 1128122064 /nfs/dbraw/zinc/12/20/64/1128122064.db2.gz TXCMPDWBCHPEPC-UHFFFAOYSA-N 0 1 287.750 3.807 20 0 CHADMN COc1ccccc1[C@@H](N[C@@H]1CC=CCC1)c1ccccn1 ZINC000925436038 1128129529 /nfs/dbraw/zinc/12/95/29/1128129529.db2.gz CDYLGEQKXJCHLS-DNVCBOLYSA-N 0 1 294.398 3.878 20 0 CHADMN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc2n[nH]cc21 ZINC000493185271 1128127340 /nfs/dbraw/zinc/12/73/40/1128127340.db2.gz XUXUJGJHGCMMMK-QWHCGFSZSA-N 0 1 299.418 3.850 20 0 CHADMN C[C@@H](N[C@H]1CCC(C)(C)c2ccccc21)c1cn(C)cn1 ZINC000925352943 1128127936 /nfs/dbraw/zinc/12/79/36/1128127936.db2.gz RYDZBYLXZQVFRV-CJNGLKHVSA-N 0 1 283.419 3.883 20 0 CHADMN CCC1(CC)[C@H](N[C@@H]2CCCc3oc(C)nc32)C[C@H]1OC ZINC000925545562 1128131979 /nfs/dbraw/zinc/13/19/79/1128131979.db2.gz GVDJZJBGYGMNKN-BPLDGKMQSA-N 0 1 292.423 3.544 20 0 CHADMN C[C@H](NCc1cccc(N(C)C)n1)c1coc2ccccc21 ZINC000925625135 1128134752 /nfs/dbraw/zinc/13/47/52/1128134752.db2.gz BHEQAJKAPBBZCU-ZDUSSCGKSA-N 0 1 295.386 3.745 20 0 CHADMN C[C@@H](NCC1(c2ccc(F)cc2Cl)CC1)c1ncco1 ZINC000925666294 1128136140 /nfs/dbraw/zinc/13/61/40/1128136140.db2.gz LAQJDMNQUUPELO-SNVBAGLBSA-N 0 1 294.757 3.850 20 0 CHADMN CSC1CC(N[C@@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000925662214 1128136287 /nfs/dbraw/zinc/13/62/87/1128136287.db2.gz GZPWBUGNDUQTTR-HTWSVDAQSA-N 0 1 298.455 3.963 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@@H]1NCc1nc(C(C)C)no1 ZINC000493680714 1128147133 /nfs/dbraw/zinc/14/71/33/1128147133.db2.gz NCGSHAYWHCODPX-KBPBESRZSA-N 0 1 279.428 3.888 20 0 CHADMN CO[C@H](c1ccccc1)[C@@H](C)N[C@H](C)c1nc(C)cs1 ZINC000493936316 1128152030 /nfs/dbraw/zinc/15/20/30/1128152030.db2.gz KNFICTAFIYLUPG-NFAWXSAZSA-N 0 1 290.432 3.878 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1cn2c(n1)CCCC2 ZINC000926173782 1128158235 /nfs/dbraw/zinc/15/82/35/1128158235.db2.gz YGBDMCXQCOCTDX-QWRGUYRKSA-N 0 1 289.345 3.601 20 0 CHADMN CCCc1csc(CNC[C@H](C)c2c(C)noc2C)n1 ZINC000494170078 1128158308 /nfs/dbraw/zinc/15/83/08/1128158308.db2.gz BWMWBKPFGUVOLD-JTQLQIEISA-N 0 1 293.436 3.594 20 0 CHADMN C[C@H]1C[C@@H](N[C@H]2c3ccccc3CCC[C@H]2C)c2ncnn21 ZINC000926178580 1128159223 /nfs/dbraw/zinc/15/92/23/1128159223.db2.gz QNILRDZAAKSQPM-DLTLXFJOSA-N 0 1 296.418 3.587 20 0 CHADMN CCCc1csc(CN[C@@H]2CC(C)(C)OC2(C)C)n1 ZINC000494200076 1128160218 /nfs/dbraw/zinc/16/02/18/1128160218.db2.gz ATUMTHUMUJOMHG-GFCCVEGCSA-N 0 1 282.453 3.531 20 0 CHADMN C[C@H](NCc1ccc(C2CCC2)cc1)c1ccnnc1 ZINC000926280109 1128165113 /nfs/dbraw/zinc/16/51/13/1128165113.db2.gz ZWPVAPLAUUSXBM-ZDUSSCGKSA-N 0 1 267.376 3.595 20 0 CHADMN CCCNc1ccc(CN[C@H](C)c2ccns2)cc1 ZINC000926287773 1128165219 /nfs/dbraw/zinc/16/52/19/1128165219.db2.gz LCSBUVBHZBGLLJ-GFCCVEGCSA-N 0 1 275.421 3.816 20 0 CHADMN Cc1nonc1[C@H](C)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000926334999 1128167041 /nfs/dbraw/zinc/16/70/41/1128167041.db2.gz WMOCTFDISNRQBN-XEGUGMAKSA-N 0 1 289.354 3.504 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C2CC2)C2CCCCC2)[nH]1 ZINC000670058977 1128167737 /nfs/dbraw/zinc/16/77/37/1128167737.db2.gz GKNPLBDNKRRKJE-UHFFFAOYSA-N 0 1 297.402 3.809 20 0 CHADMN CCC(CC)n1ccc(CN[C@@H](CC)[C@@H]2CCCCO2)n1 ZINC000653874222 1128170756 /nfs/dbraw/zinc/17/07/56/1128170756.db2.gz COOWTQKHCZNHIP-IRXDYDNUSA-N 0 1 293.455 3.682 20 0 CHADMN C(=C\c1ccncc1)\CN1CC[C@H]1c1ccccc1 ZINC000494367331 1128170990 /nfs/dbraw/zinc/17/09/90/1128170990.db2.gz JCVRXLWEBPLABU-CHYADLBTSA-N 0 1 250.345 3.542 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2NC1CC(C(C)(C)C)C1 ZINC000926483828 1128174697 /nfs/dbraw/zinc/17/46/97/1128174697.db2.gz YVIZCNVFNMUIGL-WXRRBKDZSA-N 0 1 262.397 3.775 20 0 CHADMN CCC[C@@H](NCC1=CCOCC1)c1ncccc1Cl ZINC000926506973 1128176956 /nfs/dbraw/zinc/17/69/56/1128176956.db2.gz UKWCLAWTSRGLDG-CQSZACIVSA-N 0 1 280.799 3.513 20 0 CHADMN Cc1cscc1CN[C@@H](C)c1ccc(Cl)cn1 ZINC000494527941 1128177575 /nfs/dbraw/zinc/17/75/75/1128177575.db2.gz RKXVLVXKCABKHV-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN Cc1csc(CN[C@H]2CCc3c2nccc3Cl)c1 ZINC000926522587 1128178187 /nfs/dbraw/zinc/17/81/87/1128178187.db2.gz YIBOROVMRMZLNF-ZDUSSCGKSA-N 0 1 278.808 3.882 20 0 CHADMN CCc1nc(CN[C@H]2[C@@H]3CCCC[C@@H]3C2(C)C)co1 ZINC000926538474 1128179008 /nfs/dbraw/zinc/17/90/08/1128179008.db2.gz XOTJCECIISTYQT-IPYPFGDCSA-N 0 1 262.397 3.541 20 0 CHADMN CC[C@@H](NCc1cccc(C)n1)c1ccc2c(c1)CCCO2 ZINC000153085657 1128179089 /nfs/dbraw/zinc/17/90/89/1128179089.db2.gz ITULZZYKXRMKSA-GOSISDBHSA-N 0 1 296.414 3.956 20 0 CHADMN C[C@@H](NCc1n[nH]c(C(C)(C)C)n1)c1coc2ccccc12 ZINC000926569508 1128181227 /nfs/dbraw/zinc/18/12/27/1128181227.db2.gz FNWFCZMKRGKTTK-LLVKDONJSA-N 0 1 298.390 3.699 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cn(C)cn2)c2ccccc12 ZINC000926576207 1128182227 /nfs/dbraw/zinc/18/22/27/1128182227.db2.gz CDLUTRCJXPOMIL-AWEZNQCLSA-N 0 1 279.387 3.733 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1cnn(C2CCC2)c1 ZINC000926586533 1128182532 /nfs/dbraw/zinc/18/25/32/1128182532.db2.gz BKHSMRNQOOHEAH-KCPJHIHWSA-N 0 1 265.376 3.539 20 0 CHADMN COc1ccnc([C@H](C)NC2(c3ccccc3C)CC2)c1 ZINC000926625728 1128183980 /nfs/dbraw/zinc/18/39/80/1128183980.db2.gz DQEVUUISQPTWTJ-AWEZNQCLSA-N 0 1 282.387 3.739 20 0 CHADMN CC1(C)CC[C@@H](N[C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000542494409 1128187460 /nfs/dbraw/zinc/18/74/60/1128187460.db2.gz NHRRWLXHNFGVEE-NVXWUHKLSA-N 0 1 299.393 3.873 20 0 CHADMN CCO[C@H]1C[C@H](N[C@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000926695163 1128188420 /nfs/dbraw/zinc/18/84/20/1128188420.db2.gz VEBJHBYMJJKDLF-ZHALLVOQSA-N 0 1 296.414 3.637 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@@H]2CC2CCCC2)o1 ZINC000653892113 1128190195 /nfs/dbraw/zinc/19/01/95/1128190195.db2.gz ADSCFYQBAMLFOD-CQSZACIVSA-N 0 1 277.412 3.738 20 0 CHADMN CC(C)Cc1ccccc1CN[C@H](C)c1ccnnc1 ZINC000926741478 1128191119 /nfs/dbraw/zinc/19/11/19/1128191119.db2.gz NSGKXOSOCBYKGS-CQSZACIVSA-N 0 1 269.392 3.526 20 0 CHADMN C[C@@H](NC[C@]1(c2ccccc2)CC1(C)C)c1ncco1 ZINC000926734408 1128191643 /nfs/dbraw/zinc/19/16/43/1128191643.db2.gz OQSOWXAORWSRAK-DYVFJYSZSA-N 0 1 270.376 3.693 20 0 CHADMN CC(C)CCO[C@H]1CC[C@H](N[C@@H](C)c2ncco2)CC1 ZINC000926758684 1128191814 /nfs/dbraw/zinc/19/18/14/1128191814.db2.gz PJYDZDJSEYLBAD-KKUMJFAQSA-N 0 1 280.412 3.699 20 0 CHADMN Cc1cccc2c1[C@@H](NCc1cc(C3CC3)no1)CC2 ZINC000926868330 1128199099 /nfs/dbraw/zinc/19/90/99/1128199099.db2.gz HRDPYEHMMHCLEH-HNNXBMFYSA-N 0 1 268.360 3.638 20 0 CHADMN C[C@H](N[C@H]1CCCc2ccc(Cl)cc21)c1ccnnc1 ZINC000926770542 1128192575 /nfs/dbraw/zinc/19/25/75/1128192575.db2.gz ZKQICCAYKFIOKP-ZBEGNZNMSA-N 0 1 287.794 3.858 20 0 CHADMN CC[C@]1(O)CCN([C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000495226932 1128247225 /nfs/dbraw/zinc/24/72/25/1128247225.db2.gz VWKIHSZFJHBYIT-YGRLFVJLSA-N 0 1 288.218 3.901 20 0 CHADMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)c1ccoc1 ZINC000777703567 1128247223 /nfs/dbraw/zinc/24/72/23/1128247223.db2.gz WRWOLQGNCOJABI-NSHDSACASA-N 0 1 262.328 3.653 20 0 CHADMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)C(C)(C)C ZINC000777699691 1128247535 /nfs/dbraw/zinc/24/75/35/1128247535.db2.gz FAJODODCSXBZJM-NSHDSACASA-N 0 1 252.377 3.734 20 0 CHADMN Cl/C=C/CN1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000914821469 1128247825 /nfs/dbraw/zinc/24/78/25/1128247825.db2.gz SSUHJPHIURZBKG-DRQXCOHGSA-N 0 1 286.202 3.936 20 0 CHADMN Cc1noc(C(C)C)c1NC(=O)c1ccc(Cl)cc1O ZINC000928788882 1128250158 /nfs/dbraw/zinc/25/01/58/1128250158.db2.gz IQPHZOWVQSDUSL-UHFFFAOYSA-N 0 1 294.738 3.718 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)CCc1ccns1 ZINC000929286837 1128268732 /nfs/dbraw/zinc/26/87/32/1128268732.db2.gz VVUGBWSXBACMIG-NSHDSACASA-N 0 1 264.369 3.518 20 0 CHADMN CCc1ncc(CN(Cc2ccco2)C2CCCC2)o1 ZINC000929287407 1128268794 /nfs/dbraw/zinc/26/87/94/1128268794.db2.gz ZZNPEOVGOPKCKY-UHFFFAOYSA-N 0 1 274.364 3.775 20 0 CHADMN CC1(C)CC(CN2CCc3c(ncn3-c3ccccc3)C2)C1 ZINC000929068513 1128256370 /nfs/dbraw/zinc/25/63/70/1128256370.db2.gz BJHWBHCKMFQFHO-UHFFFAOYSA-N 0 1 295.430 3.667 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cc(C)cc(C)n2)cc1 ZINC000929114481 1128258651 /nfs/dbraw/zinc/25/86/51/1128258651.db2.gz NDDGAPFMVLTBNT-HNNXBMFYSA-N 0 1 284.403 3.900 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1coc(C(C)(C)C)n1 ZINC000929213357 1128264872 /nfs/dbraw/zinc/26/48/72/1128264872.db2.gz ZCWHLPRXWOWLCJ-ZDUSSCGKSA-N 0 1 250.386 3.737 20 0 CHADMN CC[C@H]1CCCCN1Cc1coc(C(C)(C)C)n1 ZINC000929213357 1128264875 /nfs/dbraw/zinc/26/48/75/1128264875.db2.gz ZCWHLPRXWOWLCJ-ZDUSSCGKSA-N 0 1 250.386 3.737 20 0 CHADMN Cc1cccc(NC(=O)CN(C)CCCC(C)(F)F)c1C ZINC000929243440 1128265735 /nfs/dbraw/zinc/26/57/35/1128265735.db2.gz QQFAJBJOMVROGO-UHFFFAOYSA-N 0 1 298.377 3.609 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1ncc(C)cc1C ZINC000926954847 1128205762 /nfs/dbraw/zinc/20/57/62/1128205762.db2.gz NTZRFIJZSFGUQU-OAHLLOKOSA-N 0 1 284.403 3.866 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N(C)Cc1cccc(F)c1N ZINC000637884970 1128265782 /nfs/dbraw/zinc/26/57/82/1128265782.db2.gz IVQGPYLCEFBLFC-SNVBAGLBSA-N 0 1 294.320 3.879 20 0 CHADMN Cc1csc([C@@H](C)NC[C@@H]2CCCC3(CCC3)O2)n1 ZINC000927012383 1128208316 /nfs/dbraw/zinc/20/83/16/1128208316.db2.gz TXQPQVLCJXWCSM-OLZOCXBDSA-N 0 1 280.437 3.594 20 0 CHADMN C[C@H](N[C@@H]1CCCc2cccnc21)c1ccc2c(c1)COC2 ZINC000927059298 1128212549 /nfs/dbraw/zinc/21/25/49/1128212549.db2.gz CZRKLBIUEMVPRS-SCLBCKFNSA-N 0 1 294.398 3.840 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2CCCc3cccnc32)c(C)n1 ZINC000927062500 1128213136 /nfs/dbraw/zinc/21/31/36/1128213136.db2.gz HVBKQEVLRYOWKJ-YOEHRIQHSA-N 0 1 281.403 3.822 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](c2cnn(C)c2)C(C)C)o1 ZINC000927067273 1128215058 /nfs/dbraw/zinc/21/50/58/1128215058.db2.gz FHODMVFVCFECKC-LRDDRELGSA-N 0 1 275.396 3.623 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](c2cnn(C)c2)C(C)C)o1 ZINC000927067274 1128215181 /nfs/dbraw/zinc/21/51/81/1128215181.db2.gz FHODMVFVCFECKC-MLGOLLRUSA-N 0 1 275.396 3.623 20 0 CHADMN CCn1cccc1CN(C)CCOc1ccccc1Cl ZINC000494960197 1128216595 /nfs/dbraw/zinc/21/65/95/1128216595.db2.gz RPJBQZSDCXVMMP-UHFFFAOYSA-N 0 1 292.810 3.672 20 0 CHADMN CCc1onc(C)c1CN[C@H](C)c1ccc(CC)cc1 ZINC000927139113 1128221405 /nfs/dbraw/zinc/22/14/05/1128221405.db2.gz GNGBQFJVBDAWGU-GFCCVEGCSA-N 0 1 272.392 3.959 20 0 CHADMN CCOc1ccc(CN2CCS[C@H](CC)C2)cc1F ZINC000494992646 1128221862 /nfs/dbraw/zinc/22/18/62/1128221862.db2.gz HBORWIOUFQXKFA-CYBMUJFWSA-N 0 1 283.412 3.552 20 0 CHADMN CCc1onc(C)c1CN[C@@H]1CC(C)(C)Cc2occc21 ZINC000927140684 1128222219 /nfs/dbraw/zinc/22/22/19/1128222219.db2.gz SXBKIQLYNQHBNZ-CQSZACIVSA-N 0 1 288.391 3.942 20 0 CHADMN CCc1onc(C)c1CN[C@H](C)c1ccc(C)c(F)c1 ZINC000927143319 1128222595 /nfs/dbraw/zinc/22/25/95/1128222595.db2.gz YVQRTRSZUXTLNN-LLVKDONJSA-N 0 1 276.355 3.844 20 0 CHADMN CN(C/C=C\c1ccncc1)Cc1ccc(F)c(F)c1 ZINC000495067559 1128227298 /nfs/dbraw/zinc/22/72/98/1128227298.db2.gz IWGAVELKBUUADR-IHWYPQMZSA-N 0 1 274.314 3.505 20 0 CHADMN CCc1ccc(CN[C@H](C)c2c(C)noc2C)cc1 ZINC000073007385 1128233983 /nfs/dbraw/zinc/23/39/83/1128233983.db2.gz UJSCBVURIKFZAV-LLVKDONJSA-N 0 1 258.365 3.705 20 0 CHADMN CCN(C(=O)c1cccc2c[nH]nc21)c1ccc(C)cc1 ZINC000914761203 1128240882 /nfs/dbraw/zinc/24/08/82/1128240882.db2.gz PDLCDLAHUFBXCD-UHFFFAOYSA-N 0 1 279.343 3.538 20 0 CHADMN Cc1nc(C)c(CN(Cc2cccc(F)c2)C(C)C)[nH]1 ZINC000929340538 1128269976 /nfs/dbraw/zinc/26/99/76/1128269976.db2.gz CAEQRGKWRZXLEY-UHFFFAOYSA-N 0 1 275.371 3.576 20 0 CHADMN CCN(Cc1cnn(CCF)c1)[C@@H](C)c1ccc(F)cc1 ZINC000929334260 1128270067 /nfs/dbraw/zinc/27/00/67/1128270067.db2.gz UTBPBTAUERAIKK-ZDUSSCGKSA-N 0 1 293.361 3.575 20 0 CHADMN CCN(Cc1cc(C)nnc1C)[C@H](C)c1cccc(OC)c1 ZINC000929331577 1128270486 /nfs/dbraw/zinc/27/04/86/1128270486.db2.gz VLAZIEIRKRQBPY-OAHLLOKOSA-N 0 1 299.418 3.685 20 0 CHADMN Cc1ccc([C@H](C)c2nc(-c3ccc4[nH]cnc4c3)no2)o1 ZINC000762116487 1128271161 /nfs/dbraw/zinc/27/11/61/1128271161.db2.gz MXAWXQCSWUTGBM-JTQLQIEISA-N 0 1 294.314 3.666 20 0 CHADMN O=C(c1cccc(F)c1O)N1CCC[C@@H]1c1cccs1 ZINC000929373546 1128272074 /nfs/dbraw/zinc/27/20/74/1128272074.db2.gz YHTCZXDQIYUOMN-GFCCVEGCSA-N 0 1 291.347 3.570 20 0 CHADMN Cc1nnsc1[C@@H](C)N1CC[C@H](c2cccc(F)c2)C1 ZINC000929529656 1128276616 /nfs/dbraw/zinc/27/66/16/1128276616.db2.gz KTEZDTVMLQOLEA-YPMHNXCESA-N 0 1 291.395 3.536 20 0 CHADMN C[C@@H](c1ncccn1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000929621406 1128279279 /nfs/dbraw/zinc/27/92/79/1128279279.db2.gz CGYJQELEUKHYCL-JSGCOSHPSA-N 0 1 287.794 3.681 20 0 CHADMN C[C@H]1CCCN(Cc2coc(C(C)(C)C)n2)[C@H]1C ZINC000929705065 1128282857 /nfs/dbraw/zinc/28/28/57/1128282857.db2.gz SUVPQAWRAWUTIT-RYUDHWBXSA-N 0 1 250.386 3.593 20 0 CHADMN CCc1nc(C)c([C@H](C)N(C)C/C=C(/C)COC)s1 ZINC000929705181 1128283017 /nfs/dbraw/zinc/28/30/17/1128283017.db2.gz ZSMRINSGMMKJOX-ZWXCPPHNSA-N 0 1 282.453 3.599 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000495445216 1128285860 /nfs/dbraw/zinc/28/58/60/1128285860.db2.gz RPZALNOETBVLAP-JMSVASOKSA-N 0 1 297.389 3.755 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000495445217 1128286085 /nfs/dbraw/zinc/28/60/85/1128286085.db2.gz RPZALNOETBVLAP-LALPHHSUSA-N 0 1 297.389 3.755 20 0 CHADMN C[C@@H]1CN(Cc2coc(C(C)(C)C)n2)C(C)(C)C1 ZINC000929769827 1128286279 /nfs/dbraw/zinc/28/62/79/1128286279.db2.gz AULCCLBVUWUKDZ-NSHDSACASA-N 0 1 250.386 3.593 20 0 CHADMN Cc1nnsc1[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000929861978 1128291331 /nfs/dbraw/zinc/29/13/31/1128291331.db2.gz PXJUOVFZMPMQMG-IUCAKERBSA-N 0 1 281.812 3.912 20 0 CHADMN CC(C)[N@H+](Cc1coc(C(C)(C)C)n1)CC1CC1 ZINC000929878567 1128291814 /nfs/dbraw/zinc/29/18/14/1128291814.db2.gz SBKTWEFRRLIVQP-UHFFFAOYSA-N 0 1 250.386 3.593 20 0 CHADMN CC(C)N(Cc1coc(C(C)(C)C)n1)CC1CC1 ZINC000929878567 1128291817 /nfs/dbraw/zinc/29/18/17/1128291817.db2.gz SBKTWEFRRLIVQP-UHFFFAOYSA-N 0 1 250.386 3.593 20 0 CHADMN CC[C@@H]1CCCN(Cn2ccn(C(C)C)c2=S)C1 ZINC000915209779 1128292270 /nfs/dbraw/zinc/29/22/70/1128292270.db2.gz UBDIHHKPQPDXID-CYBMUJFWSA-N 0 1 267.442 3.679 20 0 CHADMN CCc1ncc(CN([C@@H](C)c2ccccc2)C2CC2)o1 ZINC000929904995 1128292623 /nfs/dbraw/zinc/29/26/23/1128292623.db2.gz GEMZGFKSYNHEKJ-ZDUSSCGKSA-N 0 1 270.376 3.963 20 0 CHADMN Cc1cn(C)nc1CN[C@@H](c1ccccc1)C1CCCC1 ZINC000929972877 1128296312 /nfs/dbraw/zinc/29/63/12/1128296312.db2.gz HWCORMYONBNLLS-SFHVURJKSA-N 0 1 283.419 3.750 20 0 CHADMN Cc1cc(C)nc(CN(C)[C@H](C)c2cccc(O)c2)c1 ZINC000929972401 1128296617 /nfs/dbraw/zinc/29/66/17/1128296617.db2.gz QQWZIHJZUVRSDT-CQSZACIVSA-N 0 1 270.376 3.597 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccc(F)nc2)cc1F ZINC000930185533 1128303978 /nfs/dbraw/zinc/30/39/78/1128303978.db2.gz JHPPIKWDXWFDFP-QWRGUYRKSA-N 0 1 292.329 3.780 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CCC(Cc2cccnc2)CC1 ZINC000930171962 1128304080 /nfs/dbraw/zinc/30/40/80/1128304080.db2.gz YUOLOWKXTGAXGY-AWEZNQCLSA-N 0 1 299.393 3.631 20 0 CHADMN Cc1cn(C)nc1CN[C@H](C)c1cccc2ccccc21 ZINC000930181859 1128304516 /nfs/dbraw/zinc/30/45/16/1128304516.db2.gz CFFAZAGFBLEXOJ-CQSZACIVSA-N 0 1 279.387 3.733 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@@H](C)c2snnc2C)cc1 ZINC000930187902 1128305217 /nfs/dbraw/zinc/30/52/17/1128305217.db2.gz RNNNNDHTMICBPM-MNOVXSKESA-N 0 1 291.420 3.657 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc(OC(C)C)c2)c(C)nn1 ZINC000930198733 1128306649 /nfs/dbraw/zinc/30/66/49/1128306649.db2.gz UEZNCCWKHJCEMQ-AWEZNQCLSA-N 0 1 299.418 3.731 20 0 CHADMN CCOc1ccccc1[C@@H](CC)NCc1cc(C)nnc1C ZINC000930202902 1128307151 /nfs/dbraw/zinc/30/71/51/1128307151.db2.gz WBVIYCPFIYMBIT-QGZVFWFLSA-N 0 1 299.418 3.733 20 0 CHADMN COC/C(C)=C\CN[C@@H](C)c1ccc(F)cc1Cl ZINC000930220640 1128308240 /nfs/dbraw/zinc/30/82/40/1128308240.db2.gz DPSVMZBCDTYQGC-YAEJEKNGSA-N 0 1 271.763 3.722 20 0 CHADMN CC(C)c1nsc(CN(CC2CC2)CC2CCC2)n1 ZINC000930299341 1128312428 /nfs/dbraw/zinc/31/24/28/1128312428.db2.gz XKFVHWKWYQOFAV-UHFFFAOYSA-N 0 1 279.453 3.674 20 0 CHADMN CC[C@H](NCc1cc(C)no1)c1ccc2c(c1)CCCO2 ZINC000153605835 1128313084 /nfs/dbraw/zinc/31/30/84/1128313084.db2.gz OIXKVQHRSCWMEB-INIZCTEOSA-N 0 1 286.375 3.549 20 0 CHADMN CSc1ccc([C@@H](C)N[C@H](C)c2snnc2C)cc1 ZINC000930317827 1128314083 /nfs/dbraw/zinc/31/40/83/1128314083.db2.gz FVKMHZICABQECQ-NXEZZACHSA-N 0 1 293.461 3.980 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2ccc(Br)cc2N)C1 ZINC000094047191 1128321661 /nfs/dbraw/zinc/32/16/61/1128321661.db2.gz JTUFWQHNLJWTSC-PHIMTYICSA-N 0 1 297.240 3.509 20 0 CHADMN C[C@@H]1CC/C(=C/C(=O)Nc2cccc(Cl)c2O)C1 ZINC000762804191 1128318408 /nfs/dbraw/zinc/31/84/08/1128318408.db2.gz GEDHKFHWTMEKGG-URLRMUCDSA-N 0 1 265.740 3.731 20 0 CHADMN C[C@H](Cc1cccc(F)c1)N1CCOC2(CCCCC2)C1 ZINC001168494237 1128318925 /nfs/dbraw/zinc/31/89/25/1128318925.db2.gz ANNIBQZFIGRBEV-OAHLLOKOSA-N 0 1 291.410 3.792 20 0 CHADMN CCC/C(C)=C\C(=O)Nc1cccc(Cl)c1O ZINC000762804747 1128319003 /nfs/dbraw/zinc/31/90/03/1128319003.db2.gz JCVJYRVECKMATH-HJWRWDBZSA-N 0 1 253.729 3.731 20 0 CHADMN CC[C@H](c1ccccc1OC)N(C)Cc1ccoc1 ZINC000777911940 1128320936 /nfs/dbraw/zinc/32/09/36/1128320936.db2.gz SYWHOQDSQFNZSL-OAHLLOKOSA-N 0 1 259.349 3.871 20 0 CHADMN CCc1ccc([C@H]2CCN([C@H](C)c3ncccn3)C2)cc1 ZINC000930565252 1128325062 /nfs/dbraw/zinc/32/50/62/1128325062.db2.gz UJFOJAIARDZVNZ-PBHICJAKSA-N 0 1 281.403 3.590 20 0 CHADMN CCCCN(Cc1nncs1)[C@@H]1CCC[C@@H](C)C1 ZINC000930583740 1128326215 /nfs/dbraw/zinc/32/62/15/1128326215.db2.gz XCKWIYZLVPKFCE-CHWSQXEVSA-N 0 1 267.442 3.719 20 0 CHADMN CCC[C@H](C)CC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000561502580 1128333781 /nfs/dbraw/zinc/33/37/81/1128333781.db2.gz OHTPGRGIUBFAQU-JTQLQIEISA-N 0 1 259.353 3.636 20 0 CHADMN CCCCO[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001205148646 1128327292 /nfs/dbraw/zinc/32/72/92/1128327292.db2.gz MLBJUPFOQVNQJG-CQSZACIVSA-N 0 1 267.800 3.731 20 0 CHADMN C[C@@H]1CCC(C)(C)N1Cc1coc(C(C)(C)C)n1 ZINC000930667385 1128330366 /nfs/dbraw/zinc/33/03/66/1128330366.db2.gz SHZUBPDXOLRFSD-LLVKDONJSA-N 0 1 250.386 3.735 20 0 CHADMN CCC[N@H+](Cc1ccccc1F)C[C@H](O)c1ccccc1 ZINC000035717549 1128331008 /nfs/dbraw/zinc/33/10/08/1128331008.db2.gz RNEYGINEXRUYAG-SFHVURJKSA-N 0 1 287.378 3.771 20 0 CHADMN CCOc1ccc2nc(SCc3cnc(C)o3)[nH]c2c1 ZINC000915609910 1128331078 /nfs/dbraw/zinc/33/10/78/1128331078.db2.gz YKOYHENDNUFANM-UHFFFAOYSA-N 0 1 289.360 3.550 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H](c3cccnc3)C2)c1F ZINC000930813678 1128336164 /nfs/dbraw/zinc/33/61/64/1128336164.db2.gz CZELQQDSEYWUJN-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2cncc(F)c2Cl)CC1 ZINC001235504101 1128337459 /nfs/dbraw/zinc/33/74/59/1128337459.db2.gz MNWFNRLWOSSJPC-UMSPYCQHSA-N 0 1 270.779 3.885 20 0 CHADMN CC[C@H]1C[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H](C)CO1 ZINC000930853914 1128337672 /nfs/dbraw/zinc/33/76/72/1128337672.db2.gz WBSWQYRSRGBYDY-SLBVQIDZSA-N 0 1 295.373 3.535 20 0 CHADMN CC[C@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H](C)CO1 ZINC000930853914 1128337677 /nfs/dbraw/zinc/33/76/77/1128337677.db2.gz WBSWQYRSRGBYDY-SLBVQIDZSA-N 0 1 295.373 3.535 20 0 CHADMN CC(F)(F)CCCN[C@H](Cc1ccccc1)c1ncco1 ZINC000930894929 1128339506 /nfs/dbraw/zinc/33/95/06/1128339506.db2.gz NMCYHMQBUNLCFA-CQSZACIVSA-N 0 1 294.345 3.983 20 0 CHADMN CCCCN(C(=O)c1cc(C)[nH]n1)[C@@H]1CCC[C@H](C)C1 ZINC000561597990 1128340662 /nfs/dbraw/zinc/34/06/62/1128340662.db2.gz FBKYKPPOIJKHQP-GXTWGEPZSA-N 0 1 277.412 3.539 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2F)C(C)C)c(C)nn1 ZINC000930970054 1128341657 /nfs/dbraw/zinc/34/16/57/1128341657.db2.gz WYGUHLSJZHHQKW-KRWDZBQOSA-N 0 1 287.382 3.719 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CCC([C@H]2CCCCO2)CC1 ZINC000931025754 1128344209 /nfs/dbraw/zinc/34/42/09/1128344209.db2.gz LBAHJTLWBWOBDT-CZUORRHYSA-N 0 1 292.398 3.563 20 0 CHADMN CC(F)(F)CCCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000931084594 1128346920 /nfs/dbraw/zinc/34/69/20/1128346920.db2.gz QPUHVNMJYCWFEJ-ZDUSSCGKSA-N 0 1 268.351 3.900 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000931160654 1128350295 /nfs/dbraw/zinc/35/02/95/1128350295.db2.gz WNDMIWXAEHGCMD-AXFHLTTASA-N 0 1 272.314 3.505 20 0 CHADMN C[C@H](C(=O)NOC1CCCCC1)c1ccc(Cl)s1 ZINC000777965400 1128351490 /nfs/dbraw/zinc/35/14/90/1128351490.db2.gz UBSQPXRZFNBQMW-VIFPVBQESA-N 0 1 287.812 3.886 20 0 CHADMN CC(C)(C)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000032465952 1128352433 /nfs/dbraw/zinc/35/24/33/1128352433.db2.gz JRXIYVRKAUQEEY-UHFFFAOYSA-N 0 1 273.380 3.845 20 0 CHADMN CC(C)(C)[C@@H](O)CN1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000561784289 1128353591 /nfs/dbraw/zinc/35/35/91/1128353591.db2.gz JZJWZRICRNWSMC-GOEBONIOSA-N 0 1 299.817 3.618 20 0 CHADMN Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccccc2C)cc1 ZINC000025221153 1128358108 /nfs/dbraw/zinc/35/81/08/1128358108.db2.gz WYHMHEUICGMJFU-INIZCTEOSA-N 0 1 296.414 3.762 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(C)nc1OC ZINC001203522125 1128362516 /nfs/dbraw/zinc/36/25/16/1128362516.db2.gz KSBQNXNXBVGWNX-UHFFFAOYSA-N 0 1 295.342 3.699 20 0 CHADMN CCc1ccc(CN(Cc2cccnc2)C2CC2)s1 ZINC000561974978 1128366749 /nfs/dbraw/zinc/36/67/49/1128366749.db2.gz GEUZDXZUJZVJDD-UHFFFAOYSA-N 0 1 272.417 3.870 20 0 CHADMN CC(C)(C)c1n[nH]c(S[C@@H]2CCc3ccccc3C2)n1 ZINC000763180585 1128367872 /nfs/dbraw/zinc/36/78/72/1128367872.db2.gz NHLDEVONIYOCKZ-CYBMUJFWSA-N 0 1 287.432 3.752 20 0 CHADMN CC(C)(C)c1nc(S[C@@H]2CCc3ccccc3C2)n[nH]1 ZINC000763180585 1128367877 /nfs/dbraw/zinc/36/78/77/1128367877.db2.gz NHLDEVONIYOCKZ-CYBMUJFWSA-N 0 1 287.432 3.752 20 0 CHADMN FC(F)(F)c1ccc([C@@H]2CCN(Cc3cocn3)C2)cc1 ZINC000763199919 1128372918 /nfs/dbraw/zinc/37/29/18/1128372918.db2.gz VIHGENGAMCQGFX-GFCCVEGCSA-N 0 1 296.292 3.683 20 0 CHADMN CCn1cccc1CN1CCC[C@H]1c1cccc(C)n1 ZINC000562649264 1128415882 /nfs/dbraw/zinc/41/58/82/1128415882.db2.gz GJXXKVJLDJHMLL-KRWDZBQOSA-N 0 1 269.392 3.549 20 0 CHADMN Cc1ccc(OCc2nc(CNC(C)C)cs2)cc1 ZINC000036104876 1128378968 /nfs/dbraw/zinc/37/89/68/1128378968.db2.gz ZIUONCPKFCOETE-UHFFFAOYSA-N 0 1 276.405 3.529 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2snnc2C)cc1C ZINC000932570949 1128416006 /nfs/dbraw/zinc/41/60/06/1128416006.db2.gz IMHQOSDHMBULGG-QWRGUYRKSA-N 0 1 291.420 3.575 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1nc(=O)c2sccc2[n-]1)C(C)(C)C ZINC000670269349 1128380973 /nfs/dbraw/zinc/38/09/73/1128380973.db2.gz WKEDHKJBGCKKDM-JTQLQIEISA-N 0 1 293.436 3.511 20 0 CHADMN Clc1cc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)ccn1 ZINC000931934624 1128388871 /nfs/dbraw/zinc/38/88/71/1128388871.db2.gz XMVYTGCWGAQYLI-DOTOQJQBSA-N 0 1 284.790 3.509 20 0 CHADMN CC[C@H](C)[C@H](C)N(C(=O)c1cccc(F)c1O)C1CC1 ZINC000932048639 1128393743 /nfs/dbraw/zinc/39/37/43/1128393743.db2.gz PFDMWWVBFPGMFH-QWRGUYRKSA-N 0 1 279.355 3.571 20 0 CHADMN Cc1nnsc1CN[C@H](c1cccc(F)c1)C(C)(C)C ZINC000562442547 1128402847 /nfs/dbraw/zinc/40/28/47/1128402847.db2.gz UAHIZTDXEYCJMV-CQSZACIVSA-N 0 1 293.411 3.863 20 0 CHADMN C[C@@H](c1ccccc1Cl)N1CCO[C@H](C)CC1 ZINC000932351329 1128405683 /nfs/dbraw/zinc/40/56/83/1128405683.db2.gz UZOISTQGSPNXKC-NEPJUHHUSA-N 0 1 253.773 3.512 20 0 CHADMN COC(C)(C)[C@@H](C)NCc1nc(-c2ccccc2)oc1C ZINC000932368378 1128406386 /nfs/dbraw/zinc/40/63/86/1128406386.db2.gz WUGKJUPXPKCGJK-CYBMUJFWSA-N 0 1 288.391 3.553 20 0 CHADMN CCc1noc(C)c1CN[C@@H](C)COCC1CCCCC1 ZINC000932424875 1128409473 /nfs/dbraw/zinc/40/94/73/1128409473.db2.gz OJEUTFMRUGSTCR-ZDUSSCGKSA-N 0 1 294.439 3.620 20 0 CHADMN C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(Cl)s1 ZINC000124328502 1128443426 /nfs/dbraw/zinc/44/34/26/1128443426.db2.gz FEIQJSOGEOWQSV-VXGBXAGGSA-N 0 1 287.856 3.917 20 0 CHADMN FC(F)(F)CC1C[C@H]2CC[C@@H](C1)N2Cc1ccns1 ZINC000932801090 1128421607 /nfs/dbraw/zinc/42/16/07/1128421607.db2.gz ATAQWVKNAOYUER-FGWVZKOKSA-N 0 1 290.354 3.839 20 0 CHADMN c1nc(-c2ccccc2)oc1CSc1nc(C2CC2)n[nH]1 ZINC000916539049 1128423484 /nfs/dbraw/zinc/42/34/84/1128423484.db2.gz ZMIRIOHPPKBPLV-UHFFFAOYSA-N 0 1 298.371 3.629 20 0 CHADMN c1nc(-c2ccccc2)oc1CSc1n[nH]c(C2CC2)n1 ZINC000916539049 1128423485 /nfs/dbraw/zinc/42/34/85/1128423485.db2.gz ZMIRIOHPPKBPLV-UHFFFAOYSA-N 0 1 298.371 3.629 20 0 CHADMN CCc1nc(CNc2ccnc(C)c2Cl)cs1 ZINC000328316251 1128423796 /nfs/dbraw/zinc/42/37/96/1128423796.db2.gz GRTQKWGOEFMTDF-UHFFFAOYSA-N 0 1 267.785 3.674 20 0 CHADMN Clc1cnc(CN2C[C@H](C3CC3)C[C@@H]2C2CC2)s1 ZINC000932888189 1128426192 /nfs/dbraw/zinc/42/61/92/1128426192.db2.gz ASALZXQTNAKTQZ-VXGBXAGGSA-N 0 1 282.840 3.807 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc(F)c1O ZINC000932920807 1128427083 /nfs/dbraw/zinc/42/70/83/1128427083.db2.gz GCHICTOWODTJON-GXTWGEPZSA-N 0 1 299.345 3.550 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)C[C@@H](O)c2ccccc2)cs1 ZINC000763396753 1128431559 /nfs/dbraw/zinc/43/15/59/1128431559.db2.gz FTUSMVWKLZELPS-BFQNTYOBSA-N 0 1 290.432 3.614 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2snnc2C)cc1C ZINC000933484367 1128436520 /nfs/dbraw/zinc/43/65/20/1128436520.db2.gz IMHQOSDHMBULGG-GHMZBOCLSA-N 0 1 291.420 3.575 20 0 CHADMN C[C@H](CC(=O)Nc1cc(F)cc(Cl)c1O)C(F)(F)F ZINC000626488293 1128437753 /nfs/dbraw/zinc/43/77/53/1128437753.db2.gz LEORQRHXSROJFE-RXMQYKEDSA-N 0 1 299.651 3.712 20 0 CHADMN COc1cc(C)ccc1CN[C@H](C)c1cccc(F)c1 ZINC000124555833 1128444838 /nfs/dbraw/zinc/44/48/38/1128444838.db2.gz ZQTMFMRSVFSKQX-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN Cc1ccc(CNCc2ccc(C(C)C)cc2)nc1 ZINC000127005828 1128441655 /nfs/dbraw/zinc/44/16/55/1128441655.db2.gz KAILAMYBAIMBED-UHFFFAOYSA-N 0 1 254.377 3.803 20 0 CHADMN C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(Cl)s1 ZINC000124327907 1128443037 /nfs/dbraw/zinc/44/30/37/1128443037.db2.gz FEIQJSOGEOWQSV-RYUDHWBXSA-N 0 1 287.856 3.917 20 0 CHADMN CCc1nc(CN2CC[C@@H](Cc3ccccc3)C2)cs1 ZINC000124223473 1128443227 /nfs/dbraw/zinc/44/32/27/1128443227.db2.gz UZVCBBQAUAEDAS-HNNXBMFYSA-N 0 1 286.444 3.770 20 0 CHADMN COc1ccc(-c2c(F)cc(F)c(O)c2F)c(F)c1F ZINC001235998841 1128452228 /nfs/dbraw/zinc/45/22/28/1128452228.db2.gz QTOKVWLXSMCKQI-UHFFFAOYSA-N 0 1 290.187 3.763 20 0 CHADMN CCC[C@@](C)(NCc1snnc1C)c1ccccc1 ZINC000934180439 1128452995 /nfs/dbraw/zinc/45/29/95/1128452995.db2.gz RCKSDRZMHDFATR-OAHLLOKOSA-N 0 1 275.421 3.652 20 0 CHADMN Cc1nc(C(C)C)ccc1CN[C@H](C)c1cncs1 ZINC000934193382 1128454053 /nfs/dbraw/zinc/45/40/53/1128454053.db2.gz HOHGMHFFMHTODA-GFCCVEGCSA-N 0 1 275.421 3.821 20 0 CHADMN C[C@@H](NCc1ccccc1C1CC1)c1cncs1 ZINC000934193609 1128454082 /nfs/dbraw/zinc/45/40/82/1128454082.db2.gz KMYRGCLWSDTSKL-LLVKDONJSA-N 0 1 258.390 3.871 20 0 CHADMN CCCCC1(NCc2ncccc2Br)CC1 ZINC000934201720 1128454623 /nfs/dbraw/zinc/45/46/23/1128454623.db2.gz ZOTVSZPGOJUZQU-UHFFFAOYSA-N 0 1 283.213 3.657 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN1C(C)C ZINC000934067723 1128449955 /nfs/dbraw/zinc/44/99/55/1128449955.db2.gz CVBWTIDXUKXYRH-MRXNPFEDSA-N 0 1 288.435 3.930 20 0 CHADMN CC(C)C1(C)CCN(Cc2cccnc2Cl)CC1 ZINC000778218550 1128450353 /nfs/dbraw/zinc/45/03/53/1128450353.db2.gz JDEDSMWTJYFPND-UHFFFAOYSA-N 0 1 266.816 3.993 20 0 CHADMN Oc1c(F)cc(F)c(-c2cccnc2C(F)(F)F)c1F ZINC001235998381 1128450577 /nfs/dbraw/zinc/45/05/77/1128450577.db2.gz MRQQZKWGZPLXBT-UHFFFAOYSA-N 0 1 293.166 3.890 20 0 CHADMN Cc1nnsc1CN(C(C)C)[C@H](C)c1ccccc1 ZINC000563220337 1128455186 /nfs/dbraw/zinc/45/51/86/1128455186.db2.gz LFVQIPJSLDIXLB-CYBMUJFWSA-N 0 1 275.421 3.818 20 0 CHADMN Cc1ccc(CNCCC(F)(F)F)c(Br)c1 ZINC000125929931 1128456198 /nfs/dbraw/zinc/45/61/98/1128456198.db2.gz JFVAUGWQORVLCN-UHFFFAOYSA-N 0 1 296.130 3.800 20 0 CHADMN Cc1cccnc1[C@@H](NCc1ccncc1)C(C)(C)C ZINC000934290647 1128456665 /nfs/dbraw/zinc/45/66/65/1128456665.db2.gz NMKWUMGRXAUIAM-MRXNPFEDSA-N 0 1 269.392 3.662 20 0 CHADMN Cc1cccnc1[C@@H](NC/C=C\Cl)C(C)(C)C ZINC000934291401 1128456795 /nfs/dbraw/zinc/45/67/95/1128456795.db2.gz LPXDYVDRNNOXKB-FWPCIQOSSA-N 0 1 252.789 3.819 20 0 CHADMN Cc1ccnc(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)n1 ZINC000563239339 1128457028 /nfs/dbraw/zinc/45/70/28/1128457028.db2.gz NILHQSOUGFJVEI-BCDXTJNWSA-N 0 1 293.414 3.696 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Oc3cccc(C)c3)[nH]n2)o1 ZINC000916851274 1128457296 /nfs/dbraw/zinc/45/72/96/1128457296.db2.gz GJMNTKPYENUQRD-UHFFFAOYSA-N 0 1 282.299 3.506 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc(F)c1O ZINC000934338546 1128458381 /nfs/dbraw/zinc/45/83/81/1128458381.db2.gz XGCYMIVGMGEVTQ-OCCSQVGLSA-N 0 1 299.345 3.550 20 0 CHADMN C[C@@]1(C2CC2)COCC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000934478281 1128461671 /nfs/dbraw/zinc/46/16/71/1128461671.db2.gz SVRWUUVLELOBAJ-INIZCTEOSA-N 0 1 281.346 3.625 20 0 CHADMN C[C@@]1(C2CC2)COCCN1Cc1ccc(C(F)F)cc1 ZINC000934478281 1128461674 /nfs/dbraw/zinc/46/16/74/1128461674.db2.gz SVRWUUVLELOBAJ-INIZCTEOSA-N 0 1 281.346 3.625 20 0 CHADMN CSCC(C)(C)NCc1coc(-c2ccc(F)cc2)n1 ZINC000934674580 1128465562 /nfs/dbraw/zinc/46/55/62/1128465562.db2.gz BXULNGVHZWFCNK-UHFFFAOYSA-N 0 1 294.395 3.712 20 0 CHADMN CSCC(C)(C)NCc1csc(-c2ccoc2)n1 ZINC000934676370 1128465683 /nfs/dbraw/zinc/46/56/83/1128465683.db2.gz XONIEWNKGCNJRE-UHFFFAOYSA-N 0 1 282.434 3.634 20 0 CHADMN CSCC(C)(C)NCc1nc(-c2cccs2)oc1C ZINC000934677762 1128466067 /nfs/dbraw/zinc/46/60/67/1128466067.db2.gz RBEPMTIUPXWAGC-UHFFFAOYSA-N 0 1 296.461 3.943 20 0 CHADMN CCCCCCN(Cc1cnc[nH]1)Cc1ccco1 ZINC000934704766 1128467687 /nfs/dbraw/zinc/46/76/87/1128467687.db2.gz AQWXFZOIRGABHM-UHFFFAOYSA-N 0 1 261.369 3.585 20 0 CHADMN Fc1cccc(C[C@H]2CCCN2C/C=C\Cl)c1 ZINC000917064190 1128473143 /nfs/dbraw/zinc/47/31/43/1128473143.db2.gz YDWCRVKBVJPGAN-NMNMAYGDSA-N 0 1 253.748 3.585 20 0 CHADMN CC[C@@H](NCc1cccc(C)n1)c1cccc(OC)c1 ZINC000127224185 1128474145 /nfs/dbraw/zinc/47/41/45/1128474145.db2.gz QFNLZMZCMBGMLJ-QGZVFWFLSA-N 0 1 270.376 3.640 20 0 CHADMN C[C@@H]1CN([C@H]2C=CCCC2)C[C@H](c2ccccc2)O1 ZINC000066496680 1128474975 /nfs/dbraw/zinc/47/49/75/1128474975.db2.gz XNIPEUWRZPCFQA-HYVNUMGLSA-N 0 1 257.377 3.557 20 0 CHADMN CCC[C@H](C)CC[C@@H](C)N1CC2(C1)CCCCO2 ZINC001257474344 1128475311 /nfs/dbraw/zinc/47/53/11/1128475311.db2.gz ANRVBGYNIFNQTC-LSDHHAIUSA-N 0 1 253.430 3.846 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000127323112 1128475422 /nfs/dbraw/zinc/47/54/22/1128475422.db2.gz PQDIRYPFLIGVPK-QWHCGFSZSA-N 0 1 299.418 3.764 20 0 CHADMN C[C@H](CN1CCO[C@H](c2cccc(O)c2)C1)c1ccccc1 ZINC000127541178 1128479303 /nfs/dbraw/zinc/47/93/03/1128479303.db2.gz JSOLMHACIMVXIB-BEFAXECRSA-N 0 1 297.398 3.569 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1cc(F)cc2cccnc21 ZINC000127932555 1128484179 /nfs/dbraw/zinc/48/41/79/1128484179.db2.gz RVACGIWVEFOHCV-ZDUSSCGKSA-N 0 1 295.361 3.962 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000563965789 1128487917 /nfs/dbraw/zinc/48/79/17/1128487917.db2.gz CQIFXELTDGFOIJ-INIZCTEOSA-N 0 1 291.435 3.848 20 0 CHADMN CCOc1ccc(CN(C)[C@@H](C)c2ccco2)cc1 ZINC000128205674 1128488896 /nfs/dbraw/zinc/48/88/96/1128488896.db2.gz WANFNIOBCDJMPH-ZDUSSCGKSA-N 0 1 259.349 3.871 20 0 CHADMN CC(C)CCN(C)CC(=O)Nc1ccc2ccccc2c1 ZINC000917170441 1128490101 /nfs/dbraw/zinc/49/01/01/1128490101.db2.gz AEHLKNYWBZSJLM-UHFFFAOYSA-N 0 1 284.403 3.756 20 0 CHADMN CCC[C@@H](C)CC[C@H](C)N1CCc2onc(COC)c2C1 ZINC001257480219 1128493103 /nfs/dbraw/zinc/49/31/03/1128493103.db2.gz UUJUFUCLHBURRA-KGLIPLIRSA-N 0 1 294.439 3.784 20 0 CHADMN Cc1cc(Cl)ccc1N1N=C2CCCCC[C@H]2C1=O ZINC000917346091 1128495221 /nfs/dbraw/zinc/49/52/21/1128495221.db2.gz ZZOULMGVNGHHFQ-GFCCVEGCSA-N 0 1 276.767 3.931 20 0 CHADMN Cc1cc(Cl)ccc1-n1[nH]c2c(c1=O)CCCCC2 ZINC000917346091 1128495223 /nfs/dbraw/zinc/49/52/23/1128495223.db2.gz ZZOULMGVNGHHFQ-GFCCVEGCSA-N 0 1 276.767 3.931 20 0 CHADMN Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccccc2C(=O)[O-])cc1 ZINC000564218004 1128498814 /nfs/dbraw/zinc/49/88/14/1128498814.db2.gz KDRNLMKSALTGGI-CQSZACIVSA-N 0 1 283.371 3.886 20 0 CHADMN Cn1ccnc1[C@@H](N[C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000564251549 1128500840 /nfs/dbraw/zinc/50/08/40/1128500840.db2.gz ZXHWCVJZMJWCPC-CVEARBPZSA-N 0 1 283.419 3.678 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000567116508 1128558212 /nfs/dbraw/zinc/55/82/12/1128558212.db2.gz ACMYAONBRCAMBP-VXGBXAGGSA-N 0 1 279.380 3.551 20 0 CHADMN CC1(C)CN(C/C=C/c2ccc(F)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000564532515 1128511292 /nfs/dbraw/zinc/51/12/92/1128511292.db2.gz GFAOMGUWKBAVEO-KCCJJVRFSA-N 0 1 289.394 3.728 20 0 CHADMN CC1(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)CC1 ZINC000128716057 1128513222 /nfs/dbraw/zinc/51/32/22/1128513222.db2.gz LKNHBDSPZFKUHS-UHFFFAOYSA-N 0 1 281.315 3.562 20 0 CHADMN C[C@@H](c1ccccc1)N1CCC2(C1)Oc1ccccc1O2 ZINC000564683049 1128513899 /nfs/dbraw/zinc/51/38/99/1128513899.db2.gz MAKFGVCAZSUUHG-AWEZNQCLSA-N 0 1 281.355 3.621 20 0 CHADMN Cc1ccc(C)c([C@H](C)[N@@H+](C)Cc2ccoc2C(=O)[O-])c1 ZINC000564803140 1128515538 /nfs/dbraw/zinc/51/55/38/1128515538.db2.gz OSBUESBAOYIOPR-ZDUSSCGKSA-N 0 1 287.359 3.788 20 0 CHADMN O=C([O-])[C@H](CC[N@H+]1CCC[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000565101259 1128520222 /nfs/dbraw/zinc/52/02/22/1128520222.db2.gz CYYJFDBAKQFVFG-BBWFWOEESA-N 0 1 287.403 3.509 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](CC[C@H]1CCC[C@@H](C)C1)C1CCC1 ZINC000565252059 1128522798 /nfs/dbraw/zinc/52/27/98/1128522798.db2.gz ADJRFYILJPGQDB-HZSPNIEDSA-N 0 1 267.413 3.530 20 0 CHADMN Cc1nc(CN[C@@H]2c3cccc(F)c3CC[C@@H]2C)[nH]c1C ZINC000565243395 1128523468 /nfs/dbraw/zinc/52/34/68/1128523468.db2.gz YDZLMGCLDRJFGD-BTDLBPIBSA-N 0 1 287.382 3.579 20 0 CHADMN COc1sc(C[N@@H+](C)C(C)(C)C)cc1Br ZINC000565304653 1128523970 /nfs/dbraw/zinc/52/39/70/1128523970.db2.gz YULBYJFVXLSVIA-UHFFFAOYSA-N 0 1 292.242 3.750 20 0 CHADMN Cc1nc2c(n1Cc1cccc(Cl)c1)CCCC2 ZINC000130544759 1128524479 /nfs/dbraw/zinc/52/44/79/1128524479.db2.gz ZUKCGBCPSAXAQU-UHFFFAOYSA-N 0 1 260.768 3.772 20 0 CHADMN Cc1oncc1CN(C1CC1)[C@H]1CCc2ccccc21 ZINC000129001073 1128525079 /nfs/dbraw/zinc/52/50/79/1128525079.db2.gz UYPJUIKOIXKTSY-KRWDZBQOSA-N 0 1 268.360 3.635 20 0 CHADMN CC(C)(NCc1ccc2c(n1)CCC2)c1cccc(F)c1 ZINC000565525706 1128527420 /nfs/dbraw/zinc/52/74/20/1128527420.db2.gz GQMBMSQNMUOFEN-UHFFFAOYSA-N 0 1 284.378 3.734 20 0 CHADMN C[C@H](C[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C)C1CCCCC1 ZINC000567180835 1128559512 /nfs/dbraw/zinc/55/95/12/1128559512.db2.gz VTNXTNOJELBMCV-HLPPOEQASA-N 0 1 281.440 3.776 20 0 CHADMN CSc1cccc(CN(Cc2ccncc2)C2CC2)c1 ZINC000660138574 1128529986 /nfs/dbraw/zinc/52/99/86/1128529986.db2.gz XCSHIASRCDVLMJ-UHFFFAOYSA-N 0 1 284.428 3.968 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(C2CCC2)cn1 ZINC000565678234 1128530808 /nfs/dbraw/zinc/53/08/08/1128530808.db2.gz MCHLGBOBZSPNFW-UHFFFAOYSA-N 0 1 298.390 3.756 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNCCOC2CCCCC2)o1 ZINC000070168076 1128559854 /nfs/dbraw/zinc/55/98/54/1128559854.db2.gz HKZLONFEZUBIEB-CJNGLKHVSA-N 0 1 277.408 3.842 20 0 CHADMN C[C@H](CC1CCCCC1)CN1CCOC[C@H]1CC(F)F ZINC000565956548 1128535888 /nfs/dbraw/zinc/53/58/88/1128535888.db2.gz COTDIYLVFMFXDU-UKRRQHHQSA-N 0 1 289.410 3.949 20 0 CHADMN COC1(CN2CCCn3c(cc4ccccc43)C2)CCCC1 ZINC000566037375 1128537788 /nfs/dbraw/zinc/53/77/88/1128537788.db2.gz WUEQTDYRIAGCBN-UHFFFAOYSA-N 0 1 298.430 3.806 20 0 CHADMN Cc1cc(C)cc([C@@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])o3)C2)c1 ZINC000566360766 1128542859 /nfs/dbraw/zinc/54/28/59/1128542859.db2.gz AUZSZJSRZATLAF-CQSZACIVSA-N 0 1 299.370 3.584 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])C[C@H]1C ZINC000566360401 1128542937 /nfs/dbraw/zinc/54/29/37/1128542937.db2.gz YFNXCGQLJQVTCW-GHMZBOCLSA-N 0 1 281.783 3.516 20 0 CHADMN CC(C)N1CCC[C@H]1c1nc(CC2CCCCC2)no1 ZINC000923865388 1128544331 /nfs/dbraw/zinc/54/43/31/1128544331.db2.gz RUUOCNVKCYVYSB-AWEZNQCLSA-N 0 1 277.412 3.738 20 0 CHADMN COc1cc(CN(Cc2ccncc2)C2CC2)ccc1C ZINC000566416222 1128544386 /nfs/dbraw/zinc/54/43/86/1128544386.db2.gz JGXBGEDJJXZRSP-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN C[C@H]1CC[C@@]2(CCN(Cc3cc(C(C)(C)C)on3)C2)C1 ZINC000566554313 1128546253 /nfs/dbraw/zinc/54/62/53/1128546253.db2.gz UELHSMRAGDXUSR-SUMWQHHRSA-N 0 1 276.424 3.984 20 0 CHADMN Cc1nc2cc(N[C@H]3CS[C@@H](C(C)C)C3)ccc2n1C ZINC000566538203 1128546563 /nfs/dbraw/zinc/54/65/63/1128546563.db2.gz ZIUPFAFPUYMIPC-CZUORRHYSA-N 0 1 289.448 3.824 20 0 CHADMN COc1ccc(-c2nc3cccc(C)c3[nH]2)cc1OC ZINC000070270065 1128561030 /nfs/dbraw/zinc/56/10/30/1128561030.db2.gz SBULUSWVFJOAMS-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN Cc1nnsc1CN1CCCC[C@@H]1c1ccc(C)cc1 ZINC000566918892 1128554191 /nfs/dbraw/zinc/55/41/91/1128554191.db2.gz XARXEYDCWMVHES-OAHLLOKOSA-N 0 1 287.432 3.882 20 0 CHADMN CC(C)N1CCC[C@H]1c1nc(-c2ccc(Cl)o2)no1 ZINC000924016965 1128554832 /nfs/dbraw/zinc/55/48/32/1128554832.db2.gz JMUTVRPZJIOILO-VIFPVBQESA-N 0 1 281.743 3.528 20 0 CHADMN Cc1cc(CN[C@@H]2COc3ccc(C)cc32)cs1 ZINC000556149667 1128555696 /nfs/dbraw/zinc/55/56/96/1128555696.db2.gz SCRDYZGTXZILMX-CQSZACIVSA-N 0 1 259.374 3.588 20 0 CHADMN CCC(C)=Cc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000567324611 1128562203 /nfs/dbraw/zinc/56/22/03/1128562203.db2.gz IVTOJVHGUSABFO-WEVVVXLNSA-N 0 1 268.320 3.735 20 0 CHADMN CCc1cccc(F)c1CN1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000567318140 1128562521 /nfs/dbraw/zinc/56/25/21/1128562521.db2.gz VELSPCSKBIPWFQ-DLBZAZTESA-N 0 1 291.410 3.778 20 0 CHADMN NC1(c2noc([C@H]3CCCC[C@H]3C3CC3)n2)CCCCC1 ZINC000567351265 1128563132 /nfs/dbraw/zinc/56/31/32/1128563132.db2.gz CSHZSGGBMBRJND-KBPBESRZSA-N 0 1 289.423 3.872 20 0 CHADMN Cc1ccc(N(C)C(=O)c2cc(-c3ccco3)n[nH]2)cc1C ZINC000918657988 1128563867 /nfs/dbraw/zinc/56/38/67/1128563867.db2.gz JVHMYPHEOKEZMI-UHFFFAOYSA-N 0 1 295.342 3.563 20 0 CHADMN CC[C@]1(C)CCC[N@H+]([C@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000567479206 1128565262 /nfs/dbraw/zinc/56/52/62/1128565262.db2.gz QXLZXKOMMDYOKY-MLGOLLRUSA-N 0 1 279.380 3.859 20 0 CHADMN CC[C@@H](C)[C@@H]([NH2+]Cc1c[nH]cn1)c1ccc(Cl)cc1 ZINC000556665310 1128613246 /nfs/dbraw/zinc/61/32/46/1128613246.db2.gz AICITVHKLXXGOT-IAQYHMDHSA-N 0 1 277.799 3.940 20 0 CHADMN CC[C@@]1(C)CCC[N@H+]([C@@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000567479205 1128565509 /nfs/dbraw/zinc/56/55/09/1128565509.db2.gz QXLZXKOMMDYOKY-LRDDRELGSA-N 0 1 279.380 3.859 20 0 CHADMN CC1CCN(Cc2coc(-c3c(F)cccc3F)n2)CC1 ZINC000131292867 1128613378 /nfs/dbraw/zinc/61/33/78/1128613378.db2.gz AUBHYYBGKAHWAS-UHFFFAOYSA-N 0 1 292.329 3.852 20 0 CHADMN c1ccc(COc2ccc(CN3CCC34CCC4)cn2)cc1 ZINC000567748233 1128571076 /nfs/dbraw/zinc/57/10/76/1128571076.db2.gz ONGIXOZAFMMYHJ-UHFFFAOYSA-N 0 1 294.398 3.789 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000568058144 1128576999 /nfs/dbraw/zinc/57/69/99/1128576999.db2.gz CINXZGFDUYFSQS-GOEBONIOSA-N 0 1 297.345 3.603 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC000568065813 1128577379 /nfs/dbraw/zinc/57/73/79/1128577379.db2.gz HJGMWKSAKLJAPV-SJORKVTESA-N 0 1 289.419 3.585 20 0 CHADMN CC(C)c1nc(CN[C@@H]2C[C@H]2c2ccco2)c2ccccn21 ZINC000568033530 1128577422 /nfs/dbraw/zinc/57/74/22/1128577422.db2.gz PJQYUQDBLZDWFB-ZIAGYGMSSA-N 0 1 295.386 3.696 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)Cc1csc2ccccc12 ZINC000568060628 1128577472 /nfs/dbraw/zinc/57/74/72/1128577472.db2.gz ISTYQTPFVPIHMK-CQSZACIVSA-N 0 1 291.416 3.977 20 0 CHADMN Cc1oncc1CN[C@H](CC(C)C)c1cccs1 ZINC000130405432 1128582041 /nfs/dbraw/zinc/58/20/41/1128582041.db2.gz OALXSJJKIPWEMX-CYBMUJFWSA-N 0 1 264.394 3.922 20 0 CHADMN Cc1ccc(-c2noc(CN(C)C3CC(C)(C)C3)n2)cc1 ZINC000570023085 1128614592 /nfs/dbraw/zinc/61/45/92/1128614592.db2.gz CGVJHTVMGQQKFD-UHFFFAOYSA-N 0 1 285.391 3.665 20 0 CHADMN CCCN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)C(C)C ZINC000568410277 1128584524 /nfs/dbraw/zinc/58/45/24/1128584524.db2.gz HHPIOARRKXFLRW-UHFFFAOYSA-N 0 1 293.798 3.609 20 0 CHADMN CSc1ccc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)s1 ZINC000568574982 1128587507 /nfs/dbraw/zinc/58/75/07/1128587507.db2.gz OXYKQTPIXARXGF-GXTWGEPZSA-N 0 1 297.489 3.859 20 0 CHADMN Cc1oc([C@H](C)[N@@H+](C)Cc2ccccc2C)cc1C(=O)[O-] ZINC000568890939 1128593671 /nfs/dbraw/zinc/59/36/71/1128593671.db2.gz NUHDWQKDFXXHEX-LBPRGKRZSA-N 0 1 287.359 3.788 20 0 CHADMN C[C@H]1CN(C/C=C/c2ccc(F)cc2)CCC1(F)F ZINC000568922159 1128594403 /nfs/dbraw/zinc/59/44/03/1128594403.db2.gz OMEFQEFISKOQER-JDGPPOGSSA-N 0 1 269.310 3.816 20 0 CHADMN Cc1ccncc1CCCNC1(C(F)F)CCCCC1 ZINC000569052793 1128597506 /nfs/dbraw/zinc/59/75/06/1128597506.db2.gz VXSSEWHBRPIFAC-UHFFFAOYSA-N 0 1 282.378 3.880 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)Cc1ccn(C)c1 ZINC000130848030 1128598506 /nfs/dbraw/zinc/59/85/06/1128598506.db2.gz HQWHJVSECVHUPB-GFCCVEGCSA-N 0 1 262.784 3.872 20 0 CHADMN C/C=C/c1ccc(NC(=O)[C@H]2CCCCN2CC)cc1 ZINC000569143608 1128599341 /nfs/dbraw/zinc/59/93/41/1128599341.db2.gz HBBSZNXGAKSNRE-LERPRCHQSA-N 0 1 272.392 3.533 20 0 CHADMN CC1(C)COCCN1Cc1cc2ccccc2s1 ZINC000130869422 1128600401 /nfs/dbraw/zinc/60/04/01/1128600401.db2.gz ODEROIPFNVRLSM-UHFFFAOYSA-N 0 1 261.390 3.512 20 0 CHADMN COCCOCc1ccc(-c2nc3cccc(C)c3[nH]2)cc1 ZINC000569169304 1128600631 /nfs/dbraw/zinc/60/06/31/1128600631.db2.gz YGSAZEYZZARCCZ-UHFFFAOYSA-N 0 1 296.370 3.701 20 0 CHADMN CC[C@@H](C(=O)O[C@H](C(C)(C)C)C(F)(F)F)N(CC)CC ZINC000778690456 1128601326 /nfs/dbraw/zinc/60/13/26/1128601326.db2.gz QZLUYMQCJDPFSJ-CMPLNLGQSA-N 0 1 297.361 3.627 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)CC1CCCCC1 ZINC000570100277 1128616120 /nfs/dbraw/zinc/61/61/20/1128616120.db2.gz KDKJOCLRPPCIKJ-UHFFFAOYSA-N 0 1 279.380 3.552 20 0 CHADMN C[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1occc1C(=O)[O-] ZINC000570099868 1128616349 /nfs/dbraw/zinc/61/63/49/1128616349.db2.gz BYRLNJCTYFEZBC-GOSISDBHSA-N 0 1 299.370 3.575 20 0 CHADMN CO[C@@H]1CCC[C@@H]1CN[C@H](CCc1ccccc1)C(F)F ZINC000498769235 1128609657 /nfs/dbraw/zinc/60/96/57/1128609657.db2.gz ZITMFXZWFZSDFI-BZUAXINKSA-N 0 1 297.389 3.658 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(C(C)(C)C)on2)C1 ZINC000569859457 1128610768 /nfs/dbraw/zinc/61/07/68/1128610768.db2.gz YIAIEANPQRDCNN-LBPRGKRZSA-N 0 1 250.386 3.594 20 0 CHADMN CCn1nccc1CN(C)[C@@H](C)c1cc(C)ccc1C ZINC000131370156 1128616577 /nfs/dbraw/zinc/61/65/77/1128616577.db2.gz IULJUQIIPLMYIW-HNNXBMFYSA-N 0 1 271.408 3.713 20 0 CHADMN COc1ccc(Br)c(CN(C)CC2(C)CC2)c1 ZINC000570144399 1128617194 /nfs/dbraw/zinc/61/71/94/1128617194.db2.gz CRUIALSQYMOFRW-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN COc1ccc(Cl)c(CN2C[C@H](C)S[C@@H](C)C2)c1 ZINC000570222454 1128618259 /nfs/dbraw/zinc/61/82/59/1128618259.db2.gz PZSPSYSPUGWSFK-QWRGUYRKSA-N 0 1 285.840 3.674 20 0 CHADMN CC(C)n1cc([C@H](C)NCc2ccccc2OC2CC2)cn1 ZINC000570249316 1128619242 /nfs/dbraw/zinc/61/92/42/1128619242.db2.gz GJCQRNGMHQBFCB-AWEZNQCLSA-N 0 1 299.418 3.856 20 0 CHADMN CCc1ccc(CN2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000570431387 1128623408 /nfs/dbraw/zinc/62/34/08/1128623408.db2.gz XSWOZWWAXIIOQK-UHFFFAOYSA-N 0 1 295.382 3.622 20 0 CHADMN CCc1cccc(CNCc2nc3c(cccc3C)[nH]2)c1 ZINC000570454447 1128624243 /nfs/dbraw/zinc/62/42/43/1128624243.db2.gz LHORHVHEZBDNAY-UHFFFAOYSA-N 0 1 279.387 3.724 20 0 CHADMN CCc1cccc(CNCc2nc3cccc(C)c3[nH]2)c1 ZINC000570454447 1128624246 /nfs/dbraw/zinc/62/42/46/1128624246.db2.gz LHORHVHEZBDNAY-UHFFFAOYSA-N 0 1 279.387 3.724 20 0 CHADMN C[C@H](F)CCN1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000556811943 1128626876 /nfs/dbraw/zinc/62/68/76/1128626876.db2.gz NULPPMYOJFDKET-XJKSGUPXSA-N 0 1 289.398 3.848 20 0 CHADMN CC[C@](C)(NCCOc1cccc(C)c1)c1nccs1 ZINC000072683091 1128628015 /nfs/dbraw/zinc/62/80/15/1128628015.db2.gz YAUPDQBETJGDPQ-INIZCTEOSA-N 0 1 290.432 3.745 20 0 CHADMN CC/C=C/CC[N@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000570689177 1128629800 /nfs/dbraw/zinc/62/98/00/1128629800.db2.gz JCSJMYCCUXDLQA-RGDDUWESSA-N 0 1 275.392 3.566 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)C[C@]1(C)C(=O)[O-] ZINC000571054966 1128635921 /nfs/dbraw/zinc/63/59/21/1128635921.db2.gz UBSHHILXIXYFFO-ACJLOTCBSA-N 0 1 289.419 3.527 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000570851970 1128633416 /nfs/dbraw/zinc/63/34/16/1128633416.db2.gz RCUZYAUENUCKBD-KRWDZBQOSA-N 0 1 289.419 3.729 20 0 CHADMN CC(C)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C(C)C)c1 ZINC000044506202 1128634624 /nfs/dbraw/zinc/63/46/24/1128634624.db2.gz VHNJMONARQQSPO-UKRRQHHQSA-N 0 1 290.363 3.537 20 0 CHADMN C[C@H](CCc1ccc(F)cc1F)N[C@H](C)c1ccon1 ZINC000556891913 1128637065 /nfs/dbraw/zinc/63/70/65/1128637065.db2.gz HJMXLSMDBQGALU-GHMZBOCLSA-N 0 1 280.318 3.625 20 0 CHADMN Cn1ccnc1[C@H](N[C@@H]1CC(C)(C)c2ccccc21)C1CC1 ZINC000556911878 1128642349 /nfs/dbraw/zinc/64/23/49/1128642349.db2.gz JUGNXZUQUIBXCH-IAGOWNOFSA-N 0 1 295.430 3.883 20 0 CHADMN Cc1cc([C@H](C)N[C@H](c2ccccc2F)[C@@H](C)O)cs1 ZINC000572126786 1128642641 /nfs/dbraw/zinc/64/26/41/1128642641.db2.gz LZDARVJKECRTOV-OZVIIMIRSA-N 0 1 293.407 3.968 20 0 CHADMN CCc1cccc(NC(=O)CN(CCC(C)C)C2CC2)c1 ZINC000515139375 1128647737 /nfs/dbraw/zinc/64/77/37/1128647737.db2.gz QZONGRAVTLZEQL-UHFFFAOYSA-N 0 1 288.435 3.698 20 0 CHADMN CN(CC1CC1)Cn1c2ccc(Cl)cc2oc1=S ZINC000919942717 1128652810 /nfs/dbraw/zinc/65/28/10/1128652810.db2.gz YHZUGQYHKJYKIX-UHFFFAOYSA-N 0 1 282.796 3.916 20 0 CHADMN CCC[C@H](C)c1noc(-c2ccc3[nH]cnc3c2)n1 ZINC000923869565 1128653797 /nfs/dbraw/zinc/65/37/97/1128653797.db2.gz WOVPKAOWEGRCTC-VIFPVBQESA-N 0 1 256.309 3.517 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccc(-n3ccnc3)cc2)o1 ZINC000158423469 1128668005 /nfs/dbraw/zinc/66/80/05/1128668005.db2.gz BHMUDOPXLAJSBL-CQSZACIVSA-N 0 1 295.386 3.879 20 0 CHADMN CC=CC=CC(=O)Nc1ccc2nc(CCCC)[nH]c2c1 ZINC000920243763 1128675551 /nfs/dbraw/zinc/67/55/51/1128675551.db2.gz MJOMRRAXTQTEFG-WJDMQLPWSA-N 0 1 283.375 3.976 20 0 CHADMN CC(C)(C)c1cnc(CN2CC[C@H](c3ccco3)C2)o1 ZINC000600690309 1128678443 /nfs/dbraw/zinc/67/84/43/1128678443.db2.gz ZWKGJMPVMGGEQB-LBPRGKRZSA-N 0 1 274.364 3.555 20 0 CHADMN CC[C@H]1CN(CCSc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000600701001 1128678843 /nfs/dbraw/zinc/67/88/43/1128678843.db2.gz QIYQNMHSVCBANB-OCCSQVGLSA-N 0 1 299.867 3.931 20 0 CHADMN COc1cccc2c1CCC[C@H]2NCc1ccc(C)c(C)n1 ZINC000577838175 1128691819 /nfs/dbraw/zinc/69/18/19/1128691819.db2.gz CJAGIPNHBHTVED-GOSISDBHSA-N 0 1 296.414 3.874 20 0 CHADMN COc1c(F)cc(CN2CC[C@@H]3CCC[C@H]3C2)cc1F ZINC001138422231 1128691852 /nfs/dbraw/zinc/69/18/52/1128691852.db2.gz BGQDFRBBVVKUSP-STQMWFEESA-N 0 1 281.346 3.595 20 0 CHADMN Cc1oc([C@H](C)[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)cc1C(=O)[O-] ZINC000577878705 1128696309 /nfs/dbraw/zinc/69/63/09/1128696309.db2.gz SRNUXSCVNJSNNW-BWACUDIHSA-N 0 1 291.391 3.859 20 0 CHADMN Cc1cnc(C(C)(C)NC2CC(OC(C)(C)C)C2)s1 ZINC000352926992 1128698064 /nfs/dbraw/zinc/69/80/64/1128698064.db2.gz IULCLBWHACXMGX-UHFFFAOYSA-N 0 1 282.453 3.622 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000577964369 1128701285 /nfs/dbraw/zinc/70/12/85/1128701285.db2.gz JOZFDXJQEQBREA-SUNKGSAMSA-N 0 1 297.345 3.698 20 0 CHADMN C[C@H]1Oc2ccccc2[C@H]1NCC1=Cc2ccccc2OC1 ZINC000577980464 1128702118 /nfs/dbraw/zinc/70/21/18/1128702118.db2.gz JRKXSTGOQLAGIW-YJYMSZOUSA-N 0 1 293.366 3.574 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@H]1NCC1=Cc2ccccc2OC1 ZINC000577980462 1128702196 /nfs/dbraw/zinc/70/21/96/1128702196.db2.gz JRKXSTGOQLAGIW-DJJJIMSYSA-N 0 1 293.366 3.574 20 0 CHADMN C[C@H](NCc1cnn(CC2CCC2)c1)c1ccc(F)cc1 ZINC000921487404 1128709505 /nfs/dbraw/zinc/70/95/05/1128709505.db2.gz KVCZRISETPZXQM-ZDUSSCGKSA-N 0 1 287.382 3.673 20 0 CHADMN C[C@@H](NCc1cnn(C2CCC2)c1)c1ccc(F)c(F)c1 ZINC000921471774 1128710281 /nfs/dbraw/zinc/71/02/81/1128710281.db2.gz OEZPMHAYHQTREG-LLVKDONJSA-N 0 1 291.345 3.737 20 0 CHADMN CCc1ccc(CN(CC)Cc2ccncc2)s1 ZINC000578175796 1128710442 /nfs/dbraw/zinc/71/04/42/1128710442.db2.gz XUIHAIUAKJFFJN-UHFFFAOYSA-N 0 1 260.406 3.728 20 0 CHADMN C[C@@H]1Cc2cc(CN[C@H]3CCOc4ccccc43)ccc2O1 ZINC000921487866 1128710690 /nfs/dbraw/zinc/71/06/90/1128710690.db2.gz ZICYDWVDLPUSQN-DYVFJYSZSA-N 0 1 295.382 3.623 20 0 CHADMN CCN(Cc1c(O)ccc2ccc(OC)cc21)C[C@H](C)C#N ZINC000064337353 1128714474 /nfs/dbraw/zinc/71/44/74/1128714474.db2.gz WEQRHSZCUMPFRF-CYBMUJFWSA-N 0 1 298.386 3.536 20 0 CHADMN CSc1ccc(Cl)cc1NC(=S)NC1CC1 ZINC000064371852 1128715320 /nfs/dbraw/zinc/71/53/20/1128715320.db2.gz ZGVWJBNDIMQDLP-UHFFFAOYSA-N 0 1 272.826 3.511 20 0 CHADMN Cc1cnc(C(C)(C)NC[C@@H]2CCC3(CCCC3)O2)s1 ZINC000578477864 1128718370 /nfs/dbraw/zinc/71/83/70/1128718370.db2.gz XTXKYXZWNFPRHD-ZDUSSCGKSA-N 0 1 294.464 3.768 20 0 CHADMN CC(C)C[C@@H](C)C[C@H](C)[NH2+]CC(=O)c1ccc([O-])cc1 ZINC001258060786 1128720600 /nfs/dbraw/zinc/72/06/00/1128720600.db2.gz LELUXRXVIBELEH-KGLIPLIRSA-N 0 1 277.408 3.625 20 0 CHADMN CCCCOc1cccc(CN[C@H](C)c2cncnc2C)c1 ZINC000578786490 1128729362 /nfs/dbraw/zinc/72/93/62/1128729362.db2.gz LPNLWQOQHGCROR-CQSZACIVSA-N 0 1 299.418 3.815 20 0 CHADMN CCS[C@@H]1CC[C@@H](N(C)Cc2cnc(Cl)s2)C1 ZINC000175457802 1128730531 /nfs/dbraw/zinc/73/05/31/1128730531.db2.gz NABDWLMLIGTJHB-NXEZZACHSA-N 0 1 290.885 3.903 20 0 CHADMN c1nc(CN2[C@@H]3CC[C@H]2CC(Cc2ccccc2)C3)co1 ZINC000348545335 1128732123 /nfs/dbraw/zinc/73/21/23/1128732123.db2.gz KRNPKIVOFGIEDQ-ZNXRZULTSA-N 0 1 282.387 3.660 20 0 CHADMN CCN(CC)c1ncc(CN[C@H](C)c2ccsc2)s1 ZINC000061361462 1117749567 /nfs/dbraw/zinc/74/95/67/1117749567.db2.gz NVTPYVDFBRVIQD-LLVKDONJSA-N 0 1 295.477 3.902 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2cscc2Cl)n[nH]1 ZINC000683078205 1117751239 /nfs/dbraw/zinc/75/12/39/1117751239.db2.gz CEYPLCXWBSDURG-IUCAKERBSA-N 0 1 298.843 3.884 20 0 CHADMN CC[C@H](C)N1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 ZINC000622657563 1117753903 /nfs/dbraw/zinc/75/39/03/1117753903.db2.gz CZZVWDLWBHLUFT-HNNXBMFYSA-N 0 1 294.483 3.536 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)o1 ZINC000430139959 1117754817 /nfs/dbraw/zinc/75/48/17/1117754817.db2.gz MISLZDWIBNMXKY-FRFSOERESA-N 0 1 289.419 3.652 20 0 CHADMN CC(C)Oc1ccccc1CN[C@H](C)c1cccnc1 ZINC000034993506 1117756695 /nfs/dbraw/zinc/75/66/95/1117756695.db2.gz MIRAULQPRDODJY-CQSZACIVSA-N 0 1 270.376 3.720 20 0 CHADMN COc1cccc2cc(CN[C@@H](C)c3cccnc3)oc21 ZINC000035012991 1117759747 /nfs/dbraw/zinc/75/97/47/1117759747.db2.gz CDAIHRMNZLDCHY-LBPRGKRZSA-N 0 1 282.343 3.687 20 0 CHADMN c1ccc(C2CC2)c(C[N@H+]2CCc3ncccc3C2)c1 ZINC001139882358 1117764139 /nfs/dbraw/zinc/76/41/39/1117764139.db2.gz HTXAEMXXUOMBNB-UHFFFAOYSA-N 0 1 264.372 3.517 20 0 CHADMN c1ccc(C2CC2)c(CN2CCc3ncccc3C2)c1 ZINC001139882358 1117764146 /nfs/dbraw/zinc/76/41/46/1117764146.db2.gz HTXAEMXXUOMBNB-UHFFFAOYSA-N 0 1 264.372 3.517 20 0 CHADMN Cc1cccc(-c2noc(-c3cc(Cl)[nH]n3)n2)c1Cl ZINC001213500744 1117769609 /nfs/dbraw/zinc/76/96/09/1117769609.db2.gz QBJQBPLWRNAJFG-UHFFFAOYSA-N 0 1 295.129 3.742 20 0 CHADMN CC(C)Cn1cc(CNCc2coc3ccccc23)cn1 ZINC000339413068 1117776994 /nfs/dbraw/zinc/77/69/94/1117776994.db2.gz RJVLZJRRXAWJQG-UHFFFAOYSA-N 0 1 283.375 3.575 20 0 CHADMN OCC[C@H](N[C@H](c1ccc(F)cc1)C1CC1)c1ccco1 ZINC000274650401 1117781729 /nfs/dbraw/zinc/78/17/29/1117781729.db2.gz LGSWWMUVBDDMFL-RDJZCZTQSA-N 0 1 289.350 3.583 20 0 CHADMN CN(Cc1cn(C)nc1C(F)F)C(C)(C)c1ccccc1 ZINC000671246010 1117783134 /nfs/dbraw/zinc/78/31/34/1117783134.db2.gz XICKAPDOLMAVSC-UHFFFAOYSA-N 0 1 293.361 3.725 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cccc3cc[nH]c32)Cc2ccccc2O1 ZINC000430151238 1117784600 /nfs/dbraw/zinc/78/46/00/1117784600.db2.gz RHMQRCQGJDJITP-CQSZACIVSA-N 0 1 292.382 3.951 20 0 CHADMN CCc1noc(C)c1CN(C)C(C)(C)c1ccccc1 ZINC000671245358 1117784881 /nfs/dbraw/zinc/78/48/81/1117784881.db2.gz BGUOVQLKUQDQTH-UHFFFAOYSA-N 0 1 272.392 3.913 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccco1 ZINC000160213357 1117784998 /nfs/dbraw/zinc/78/49/98/1117784998.db2.gz MPFDOIHJMLUDCR-ZIAGYGMSSA-N 0 1 298.386 3.818 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)CC1(C)C ZINC000579132844 1128739476 /nfs/dbraw/zinc/73/94/76/1128739476.db2.gz ONJZZYDUJMJPIC-NSHDSACASA-N 0 1 295.810 3.906 20 0 CHADMN CCc1noc(C)c1CNCc1ccc(SC)s1 ZINC000339437006 1117787125 /nfs/dbraw/zinc/78/71/25/1117787125.db2.gz IWKQASGUTUZAOR-UHFFFAOYSA-N 0 1 282.434 3.619 20 0 CHADMN Cc1nc2cncc(NCc3ccccc3C3CC3)c2[nH]1 ZINC001167051898 1117790429 /nfs/dbraw/zinc/79/04/29/1117790429.db2.gz FYVBNUFYQQPKCR-UHFFFAOYSA-N 0 1 278.359 3.756 20 0 CHADMN CCC[C@H](C(=O)Nc1nc(-c2cccs2)n[nH]1)C(C)C ZINC000763806372 1117808978 /nfs/dbraw/zinc/80/89/78/1117808978.db2.gz OGEYBLKKIGBCPA-JTQLQIEISA-N 0 1 292.408 3.544 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccns1)c1ccnc(Cl)c1 ZINC000858575925 1117809802 /nfs/dbraw/zinc/80/98/02/1117809802.db2.gz GDOPMPDRJGZXEW-BDAKNGLRSA-N 0 1 267.785 3.603 20 0 CHADMN CC(C)(C)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000530465896 1117813374 /nfs/dbraw/zinc/81/33/74/1117813374.db2.gz GCDRMWZXXDHOBV-UHFFFAOYSA-N 0 1 299.418 3.995 20 0 CHADMN Cc1cc(C[C@@H](C)NC(=O)CCC2CCCCCC2)n[nH]1 ZINC000654923646 1117813515 /nfs/dbraw/zinc/81/35/15/1117813515.db2.gz CEAYYNYSWMHAIZ-CYBMUJFWSA-N 0 1 291.439 3.516 20 0 CHADMN CCN(CCOc1cccc(C)c1)CCC(F)(F)F ZINC000623121827 1117816248 /nfs/dbraw/zinc/81/62/48/1117816248.db2.gz NUXLSKXONCQLNO-UHFFFAOYSA-N 0 1 275.314 3.648 20 0 CHADMN CCN(CCO[C@H]1CCCC[C@H]1C)CCC(F)(F)F ZINC000623120679 1117816286 /nfs/dbraw/zinc/81/62/86/1117816286.db2.gz HCCPFBHREMABEZ-OLZOCXBDSA-N 0 1 281.362 3.856 20 0 CHADMN CC[C@H]1CCN1CCCc1c(F)cccc1Cl ZINC000430185315 1117819529 /nfs/dbraw/zinc/81/95/29/1117819529.db2.gz DDKFEGIZAMDOHF-NSHDSACASA-N 0 1 255.764 3.896 20 0 CHADMN CCCc1ccccc1NC(=O)[C@H]1C[C@H](C)Cc2cn[nH]c21 ZINC000623181919 1117819488 /nfs/dbraw/zinc/81/94/88/1117819488.db2.gz VSMAXIWTTROROL-DOMZBBRYSA-N 0 1 297.402 3.667 20 0 CHADMN CCc1cc(NC(=O)[C@@H]2C[C@H](C)Cc3cn[nH]c32)ccc1C ZINC000623208602 1117824319 /nfs/dbraw/zinc/82/43/19/1117824319.db2.gz WDPRBQULKFOSBK-BDJLRTHQSA-N 0 1 297.402 3.585 20 0 CHADMN Cc1n[nH]cc1C1CCN(Cc2cscc2Cl)CC1 ZINC000671309727 1117827731 /nfs/dbraw/zinc/82/77/31/1117827731.db2.gz OQKYBVOHSDUHFV-UHFFFAOYSA-N 0 1 295.839 3.813 20 0 CHADMN CN(Cc1nn(C)c2ccccc12)C(C)(C)c1ccccc1 ZINC000671309291 1117828385 /nfs/dbraw/zinc/82/83/85/1117828385.db2.gz RWQKKIABZWYOFO-UHFFFAOYSA-N 0 1 293.414 3.940 20 0 CHADMN CSCCCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185493691 1117830624 /nfs/dbraw/zinc/83/06/24/1117830624.db2.gz WYIBVOYUORZKMA-SNVBAGLBSA-N 0 1 273.829 3.839 20 0 CHADMN CCSc1ccc(-c2noc([C@H](CC)NC)n2)cc1 ZINC000233863130 1128737617 /nfs/dbraw/zinc/73/76/17/1128737617.db2.gz CLRVKCODERLLEN-LBPRGKRZSA-N 0 1 277.393 3.519 20 0 CHADMN CCC(F)(F)C(C)(C)CNCc1csc(C)n1 ZINC000623363964 1117841758 /nfs/dbraw/zinc/84/17/58/1117841758.db2.gz NHYVKRQKHINASK-UHFFFAOYSA-N 0 1 262.369 3.613 20 0 CHADMN CC[N@@H+](Cc1nc(CCC(C)C)no1)C1CCCCC1 ZINC000064508431 1117849098 /nfs/dbraw/zinc/84/90/98/1117849098.db2.gz ZQGDSYOBZIKTLW-UHFFFAOYSA-N 0 1 279.428 3.813 20 0 CHADMN CCN(Cc1nc(CCC(C)C)no1)C1CCCCC1 ZINC000064508431 1117849103 /nfs/dbraw/zinc/84/91/03/1117849103.db2.gz ZQGDSYOBZIKTLW-UHFFFAOYSA-N 0 1 279.428 3.813 20 0 CHADMN CC[C@H]1CC[N@H+]1Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000430198571 1117849522 /nfs/dbraw/zinc/84/95/22/1117849522.db2.gz RZFDDFCCCDMXLR-SFHVURJKSA-N 0 1 297.446 3.841 20 0 CHADMN Cc1cc(Cl)ccc1OC(=O)c1cnc2[nH]cccc1-2 ZINC000064751390 1128738975 /nfs/dbraw/zinc/73/89/75/1128738975.db2.gz UWJBVSFSVYIHKA-UHFFFAOYSA-N 0 1 286.718 3.744 20 0 CHADMN Cc1cc(CN2CCC[C@@](C)(O)[C@H](C)C2)c(F)cc1Cl ZINC001238301012 1117857167 /nfs/dbraw/zinc/85/71/67/1117857167.db2.gz VTAGHGMLXMDBCP-MLGOLLRUSA-N 0 1 299.817 3.770 20 0 CHADMN CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185614632 1117858203 /nfs/dbraw/zinc/85/82/03/1117858203.db2.gz HSVQPVWFHFRABM-CHWSQXEVSA-N 0 1 299.842 3.741 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC2(C1)CCCCC2 ZINC000579132786 1128739265 /nfs/dbraw/zinc/73/92/65/1128739265.db2.gz MPCJFDNDDNKPON-UHFFFAOYSA-N 0 1 291.391 3.696 20 0 CHADMN CCC/C(C)=C/C(=O)Nc1[nH]nc(-c2ccncc2)c1CC ZINC000728190731 1117862676 /nfs/dbraw/zinc/86/26/76/1117862676.db2.gz QPZKFUVOVRLQAA-VAWYXSNFSA-N 0 1 298.390 3.719 20 0 CHADMN C[C@H]([NH2+]C[C@H]1CCCS1)c1cc(Cl)ccc1[O-] ZINC000185697559 1117872650 /nfs/dbraw/zinc/87/26/50/1117872650.db2.gz YQGGZVAGKVUMGT-GXSJLCMTSA-N 0 1 271.813 3.592 20 0 CHADMN COc1ccc(C)cc1CNCc1ccc(C)c(F)c1 ZINC000073052881 1117876816 /nfs/dbraw/zinc/87/68/16/1117876816.db2.gz RDTFLEASFDIYGI-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)s2)C[C@H]1CC(=O)[O-] ZINC000722635984 1117880817 /nfs/dbraw/zinc/88/08/17/1117880817.db2.gz SUVYIRGVVLYBPP-VXGBXAGGSA-N 0 1 295.448 3.588 20 0 CHADMN CC[C@H](NCc1cc[nH]n1)c1ccc2cc(OC)ccc2c1 ZINC000177956016 1117881942 /nfs/dbraw/zinc/88/19/42/1117881942.db2.gz ZAQZQHXIMXOZJV-SFHVURJKSA-N 0 1 295.386 3.812 20 0 CHADMN CC[C@H]1C[C@@H](NCc2c(Cl)oc3ccccc32)CO1 ZINC000623644929 1117884914 /nfs/dbraw/zinc/88/49/14/1117884914.db2.gz GYXOIYCJQQNRIE-MNOVXSKESA-N 0 1 279.767 3.743 20 0 CHADMN CC[C@@H]1CCC[C@@H](CNCc2ncn(-c3ccccc3)n2)C1 ZINC000339577131 1117886410 /nfs/dbraw/zinc/88/64/10/1117886410.db2.gz DKOCRAVJQCABRX-HZPDHXFCSA-N 0 1 298.434 3.573 20 0 CHADMN CCN(C(=O)c1cccc2[nH]ncc21)c1cccc(C)c1C ZINC000510097557 1117887244 /nfs/dbraw/zinc/88/72/44/1117887244.db2.gz GZJBVKYXKJQCOM-UHFFFAOYSA-N 0 1 293.370 3.846 20 0 CHADMN C[C@H]1C[C@H](NCc2ncn(-c3ccccc3)n2)CC(C)(C)C1 ZINC000339582741 1117888545 /nfs/dbraw/zinc/88/85/45/1117888545.db2.gz PYZGUOMXVJPVAO-GJZGRUSLSA-N 0 1 298.434 3.572 20 0 CHADMN Cc1nnsc1CN(Cc1ccccc1)CC(C)C ZINC000579236823 1128742021 /nfs/dbraw/zinc/74/20/21/1128742021.db2.gz KWVZWTVNHXFGSJ-UHFFFAOYSA-N 0 1 275.421 3.505 20 0 CHADMN CC[C@H](C[N@@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1)OC ZINC000660707770 1117891529 /nfs/dbraw/zinc/89/15/29/1117891529.db2.gz JPFVURSPZJITFS-ZYHUDNBSSA-N 0 1 295.814 3.634 20 0 CHADMN COCCCC[N@@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660708586 1117894198 /nfs/dbraw/zinc/89/41/98/1117894198.db2.gz QYIKLUXFWIDLNJ-NSHDSACASA-N 0 1 295.814 3.636 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@H](CO)c1sccc1C ZINC000349418206 1117898013 /nfs/dbraw/zinc/89/80/13/1117898013.db2.gz BBFJPLNPIHQSFY-GHMZBOCLSA-N 0 1 297.445 3.511 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@H](CO)c1ccsc1 ZINC000349430790 1117899271 /nfs/dbraw/zinc/89/92/71/1117899271.db2.gz SPSBCHYFHFXNMS-UHOFOFEASA-N 0 1 287.428 3.928 20 0 CHADMN C[C@H](C1CC1)N(Cc1csc(C2CC2)n1)C1CC1 ZINC000179478658 1117905960 /nfs/dbraw/zinc/90/59/60/1117905960.db2.gz SMBPWWYWGCHOIX-SNVBAGLBSA-N 0 1 262.422 3.783 20 0 CHADMN C[C@@H]1CCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)[C@@H]1C ZINC000179548928 1117907764 /nfs/dbraw/zinc/90/77/64/1117907764.db2.gz ADCWDXWGVCTGSG-CHWSQXEVSA-N 0 1 289.423 3.718 20 0 CHADMN CN(Cc1nc2ccccc2o1)[C@H]1CCc2ccccc21 ZINC000029486615 1117909648 /nfs/dbraw/zinc/90/96/48/1117909648.db2.gz QLLKAZNPAJPBHJ-INIZCTEOSA-N 0 1 278.355 3.947 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1cn(C)nc1C(C)(C)C ZINC000179714207 1117910810 /nfs/dbraw/zinc/91/08/10/1117910810.db2.gz UHPASJCQXQCUET-GFCCVEGCSA-N 0 1 291.464 3.972 20 0 CHADMN c1ncn2ccc(-c3noc([C@H]4CC45CCCCC5)n3)cc12 ZINC000351068201 1117925337 /nfs/dbraw/zinc/92/53/37/1117925337.db2.gz ARTADSOXRYGKNR-CQSZACIVSA-N 0 1 294.358 3.822 20 0 CHADMN CC[C@H]1CCC[C@@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000351105287 1117926836 /nfs/dbraw/zinc/92/68/36/1117926836.db2.gz ASNZJZJGGWOLFG-FZMZJTMJSA-N 0 1 282.347 3.678 20 0 CHADMN Cc1cccc(CN2CCC[C@H](C(F)F)C2)c1F ZINC001137677485 1117935409 /nfs/dbraw/zinc/93/54/09/1117935409.db2.gz UMHDBHCONVSSGD-LBPRGKRZSA-N 0 1 257.299 3.611 20 0 CHADMN Cc1cnc(CN2CC[C@H]2c2ccccc2)c(C)c1 ZINC001238440301 1117940248 /nfs/dbraw/zinc/94/02/48/1117940248.db2.gz LQWJGCJPMLQFTL-KRWDZBQOSA-N 0 1 252.361 3.645 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1n[nH]c(C(C)C)n1)C(C)(C)C2 ZINC000339635623 1117944419 /nfs/dbraw/zinc/94/44/19/1117944419.db2.gz CILBDJDOWMRMKU-UHFFFAOYSA-N 0 1 298.434 3.573 20 0 CHADMN Cc1ccnc(CN2CCC[C@@H]2c2cccc(C)c2C)n1 ZINC000339664319 1117950096 /nfs/dbraw/zinc/95/00/96/1117950096.db2.gz ZAEHJVUXIIFKAR-QGZVFWFLSA-N 0 1 281.403 3.739 20 0 CHADMN Cc1csc([C@@H](C)NC[C@H](C)Oc2cccc(F)c2)n1 ZINC000623899712 1117950678 /nfs/dbraw/zinc/95/06/78/1117950678.db2.gz QONJJRZZVYKLKI-NWDGAFQWSA-N 0 1 294.395 3.709 20 0 CHADMN Cc1csc([C@H](C)NC[C@H](C)Oc2ccc(F)cc2)n1 ZINC000623899992 1117950832 /nfs/dbraw/zinc/95/08/32/1117950832.db2.gz ZTBRQYZOCXYAPX-RYUDHWBXSA-N 0 1 294.395 3.709 20 0 CHADMN CC(C)c1nc(C[N@H+]2CC[C@H](CC3CC3)C2)cs1 ZINC000339681268 1117955122 /nfs/dbraw/zinc/95/51/22/1117955122.db2.gz GXLZIFXUEPNPNP-CYBMUJFWSA-N 0 1 264.438 3.889 20 0 CHADMN CC(C)c1nc(CN2CC[C@H](CC3CC3)C2)cs1 ZINC000339681268 1117955124 /nfs/dbraw/zinc/95/51/24/1117955124.db2.gz GXLZIFXUEPNPNP-CYBMUJFWSA-N 0 1 264.438 3.889 20 0 CHADMN Cc1cc(CN(Cc2ccncc2)C2CC2)cs1 ZINC000579370357 1128746541 /nfs/dbraw/zinc/74/65/41/1128746541.db2.gz GNEIQYLEDDGFEH-UHFFFAOYSA-N 0 1 258.390 3.616 20 0 CHADMN COCCN(Cc1ccccn1)Cc1cc(C)c(C)cc1C ZINC000349073886 1117960996 /nfs/dbraw/zinc/96/09/96/1117960996.db2.gz LVSJQHDXNNENGA-UHFFFAOYSA-N 0 1 298.430 3.655 20 0 CHADMN Clc1ccc(CSc2nc(C3CC3)n[nH]2)cc1 ZINC000012992194 1117964543 /nfs/dbraw/zinc/96/45/43/1117964543.db2.gz WEAPGCZYSCEASV-UHFFFAOYSA-N 0 1 265.769 3.628 20 0 CHADMN Clc1ccc(CSc2n[nH]c(C3CC3)n2)cc1 ZINC000012992194 1117964546 /nfs/dbraw/zinc/96/45/46/1117964546.db2.gz WEAPGCZYSCEASV-UHFFFAOYSA-N 0 1 265.769 3.628 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2coc(-c3ccccc3)n2)C1 ZINC000430269004 1117966486 /nfs/dbraw/zinc/96/64/86/1117966486.db2.gz OTYQCGYDVWNSDH-CYBMUJFWSA-N 0 1 268.360 3.740 20 0 CHADMN CC[C@H](NCc1ncccc1OC)c1cc(C)ccc1C ZINC000623997356 1117967694 /nfs/dbraw/zinc/96/76/94/1117967694.db2.gz KDCFKFVJOZNQCX-INIZCTEOSA-N 0 1 284.403 3.948 20 0 CHADMN CC[C@@H](NCc1ccn(CC)n1)c1cc(C)ccc1C ZINC000624000255 1117967758 /nfs/dbraw/zinc/96/77/58/1117967758.db2.gz UNQUHGMMXTWZIH-QGZVFWFLSA-N 0 1 271.408 3.761 20 0 CHADMN COc1ccc(CN2CC(C)=C[C@@H](C)C2)cc1Cl ZINC000430270588 1117969164 /nfs/dbraw/zinc/96/91/64/1117969164.db2.gz VRNLFNGTIBBCHK-LLVKDONJSA-N 0 1 265.784 3.747 20 0 CHADMN CC(C)(C)C[C@@H]1C[C@H]1N[C@H]1CCCc2scnc21 ZINC000624007205 1117972196 /nfs/dbraw/zinc/97/21/96/1117972196.db2.gz PXKKTORADRVZAO-SDDRHHMPSA-N 0 1 264.438 3.935 20 0 CHADMN Clc1ccc(SCCN2CCO[C@H]3CCC[C@H]32)cc1 ZINC000430271319 1117973488 /nfs/dbraw/zinc/97/34/88/1117973488.db2.gz FVZOGJOCLAOJHK-CABCVRRESA-N 0 1 297.851 3.685 20 0 CHADMN Cc1ccccc1-c1nc(=N[C@H]2CCC(F)(F)C2)s[nH]1 ZINC000624039664 1117973820 /nfs/dbraw/zinc/97/38/20/1117973820.db2.gz VIRMKVSKDPYEBP-JTQLQIEISA-N 0 1 295.358 3.535 20 0 CHADMN Clc1ccc(CCCN2CCO[C@H]3CCC[C@H]32)cc1 ZINC000430276470 1117980749 /nfs/dbraw/zinc/98/07/49/1117980749.db2.gz XFUSFRNPAXFLSG-CVEARBPZSA-N 0 1 279.811 3.526 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@@H](C)c1cccs1)CCO2 ZINC000037235420 1117983853 /nfs/dbraw/zinc/98/38/53/1117983853.db2.gz SLNCJZLVSVKJNL-SMDDNHRTSA-N 0 1 289.400 3.931 20 0 CHADMN COc1cc(C)nc(CN(C)[C@H]2CCc3ccccc32)c1 ZINC000339840046 1117984698 /nfs/dbraw/zinc/98/46/98/1117984698.db2.gz CZLRCHHQDUEEQI-SFHVURJKSA-N 0 1 282.387 3.518 20 0 CHADMN FC(F)C1(NCCCOCC(F)(F)F)CCCCC1 ZINC000510143241 1117987124 /nfs/dbraw/zinc/98/71/24/1117987124.db2.gz LEILZTBHIMRDNC-UHFFFAOYSA-N 0 1 289.288 3.513 20 0 CHADMN Cc1c(Cl)ccc(CN2CC(C)(C)C[C@]2(C)CO)c1F ZINC001238511001 1117990050 /nfs/dbraw/zinc/99/00/50/1117990050.db2.gz BOLLRULJRDOKCG-MRXNPFEDSA-N 0 1 299.817 3.770 20 0 CHADMN CC(C)[C@@H]1C[C@H](N[C@H](C)c2nccn2C)c2ccccc21 ZINC000624169016 1117992559 /nfs/dbraw/zinc/99/25/59/1117992559.db2.gz SCFBVKOBUYVORJ-COXVUDFISA-N 0 1 283.419 3.955 20 0 CHADMN Cc1cncc(CN[C@]2(c3ccccc3)CC2(C)C)c1 ZINC000662339991 1117997821 /nfs/dbraw/zinc/99/78/21/1117997821.db2.gz GMHUJLUQKVWUFV-SFHVURJKSA-N 0 1 266.388 3.805 20 0 CHADMN F[C@H]1C[C@@H]2C[C@H]1CN2CCc1c(Cl)cccc1Cl ZINC001209108510 1117998337 /nfs/dbraw/zinc/99/83/37/1117998337.db2.gz KVBNDHQRFZUUIU-BHDSKKPTSA-N 0 1 288.193 3.968 20 0 CHADMN Cc1cnc(CN2CCC(c3cc4ccccc4[nH]3)CC2)o1 ZINC000075674124 1117998420 /nfs/dbraw/zinc/99/84/20/1117998420.db2.gz SQAREUXBPJQYAK-UHFFFAOYSA-N 0 1 295.386 3.844 20 0 CHADMN CCc1c2cc(C)ccc2oc1[C@@H](C)NCc1ccnn1C ZINC000181480318 1117999674 /nfs/dbraw/zinc/99/96/74/1117999674.db2.gz HHDVTYFLCSTMOB-CYBMUJFWSA-N 0 1 297.402 3.888 20 0 CHADMN Fc1cccc(CN(Cc2cnn3ccccc23)C2CC2)c1 ZINC000180033088 1118000995 /nfs/dbraw/zinc/00/09/95/1118000995.db2.gz KZZNLNHOSHCACD-UHFFFAOYSA-N 0 1 295.361 3.638 20 0 CHADMN Cc1[nH]c(SCc2cnoc2C)nc1Cc1ccccc1 ZINC000181707981 1118004720 /nfs/dbraw/zinc/00/47/20/1118004720.db2.gz YYCHELPDBTYKDR-UHFFFAOYSA-N 0 1 299.399 3.898 20 0 CHADMN C[C@]1(CN[C@H](c2ncc[nH]2)c2ccccc2)C[C@H]2C[C@H]2C1 ZINC000624200876 1118005439 /nfs/dbraw/zinc/00/54/39/1118005439.db2.gz UUXANNXSPSFKIN-UIBIWLFHSA-N 0 1 281.403 3.525 20 0 CHADMN CN(C)c1cccc(CN[C@@H]2CC(C)(C)c3ccccc32)n1 ZINC000181732899 1118005801 /nfs/dbraw/zinc/00/58/01/1118005801.db2.gz UZSSFPPNTBCGPM-QGZVFWFLSA-N 0 1 295.430 3.660 20 0 CHADMN CC(C)=CCN(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000065238653 1118008659 /nfs/dbraw/zinc/00/86/59/1118008659.db2.gz GWZMDNIIJLQSLV-QGZVFWFLSA-N 0 1 277.383 3.773 20 0 CHADMN C[C@H](C(=O)NC(C)(C)C)N(C)Cc1ccc2ccccc2c1 ZINC000016343142 1118010050 /nfs/dbraw/zinc/01/00/50/1118010050.db2.gz BDXGXNDOXJYMGZ-CQSZACIVSA-N 0 1 298.430 3.575 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000234061201 1118013769 /nfs/dbraw/zinc/01/37/69/1118013769.db2.gz XPSITJLVAOVHPH-RDJZCZTQSA-N 0 1 275.392 3.570 20 0 CHADMN CCN1CCN([C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000615454422 1128749664 /nfs/dbraw/zinc/74/96/64/1128749664.db2.gz ZTLZISLPGYFIFU-NSHDSACASA-N 0 1 287.234 3.692 20 0 CHADMN CCCCN(CCCO)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000182154139 1118015265 /nfs/dbraw/zinc/01/52/65/1118015265.db2.gz AJROMYOQUKMCPQ-CYBMUJFWSA-N 0 1 282.428 3.518 20 0 CHADMN O=C(/C=C/C1CC1)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000079859711 1118016504 /nfs/dbraw/zinc/01/65/04/1118016504.db2.gz ZETAJYPMFMOTNX-RMKNXTFCSA-N 0 1 281.359 3.735 20 0 CHADMN CCN1CCN([C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000615454401 1128749752 /nfs/dbraw/zinc/74/97/52/1128749752.db2.gz XKDBRHJEVMNGAQ-LLVKDONJSA-N 0 1 287.234 3.692 20 0 CHADMN C[C@H](NCCSc1ccc(Cl)cc1)c1nccn1C ZINC000182230995 1118017655 /nfs/dbraw/zinc/01/76/55/1118017655.db2.gz GGYKRPVRENGJPQ-NSHDSACASA-N 0 1 295.839 3.516 20 0 CHADMN Cc1cc(F)ccc1CN(C)[C@H](C)c1ccccn1 ZINC000182288229 1118019680 /nfs/dbraw/zinc/01/96/80/1118019680.db2.gz VKKAQRVWWKRYGS-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN COC(=O)c1oc(CN[C@@H](C)c2ccc(C)cc2)cc1C ZINC000182338096 1118020880 /nfs/dbraw/zinc/02/08/80/1118020880.db2.gz GGJWPZUPXBRKKA-ZDUSSCGKSA-N 0 1 287.359 3.534 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1ccnc(SC)n1 ZINC001140036029 1118028758 /nfs/dbraw/zinc/02/87/58/1118028758.db2.gz XPJITGNZNYNELI-HNNXBMFYSA-N 0 1 287.432 3.782 20 0 CHADMN Fc1ccc(CN2CC[C@@H](COCC3CC3)C2)c(Cl)c1 ZINC001204438659 1118031293 /nfs/dbraw/zinc/03/12/93/1118031293.db2.gz IEMHLDJRANTGDB-CYBMUJFWSA-N 0 1 297.801 3.728 20 0 CHADMN C[C@H]1C[C@@H](NCc2ccc[nH]c2=O)c2ccsc2S1 ZINC000624258839 1118032644 /nfs/dbraw/zinc/03/26/44/1118032644.db2.gz VLXQFIUJOJIXKD-JOYOIKCWSA-N 0 1 292.429 3.564 20 0 CHADMN CC(C)c1cnc(CN2C[C@H](C)CC[C@H]2C)s1 ZINC000183082756 1118036739 /nfs/dbraw/zinc/03/67/39/1118036739.db2.gz RTNHVFFYEYRECZ-VXGBXAGGSA-N 0 1 252.427 3.887 20 0 CHADMN CC1CCC(N(C)Cc2nc(Cc3ccccc3)no2)CC1 ZINC000045913833 1118039822 /nfs/dbraw/zinc/03/98/22/1118039822.db2.gz IKZDEBHLFLITQY-UHFFFAOYSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1cccc(CNCc2ccc(C(C)C)cc2)n1 ZINC000048329625 1118041290 /nfs/dbraw/zinc/04/12/90/1118041290.db2.gz VTKXSIXWZJLITK-UHFFFAOYSA-N 0 1 254.377 3.803 20 0 CHADMN CC(C)c1nc(CSC2CCC(F)(F)CC2)n[nH]1 ZINC000901740331 1118043862 /nfs/dbraw/zinc/04/38/62/1118043862.db2.gz FHCBMXBOKKSFGS-UHFFFAOYSA-N 0 1 275.368 3.739 20 0 CHADMN Cc1cnccc1CN[C@H](C)c1cccc(F)c1F ZINC000235213906 1118046226 /nfs/dbraw/zinc/04/62/26/1118046226.db2.gz SRKSNCNAGOBWLE-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN CCOc1cccc(CN(C)Cc2ccsc2)c1 ZINC000120448305 1118048067 /nfs/dbraw/zinc/04/80/67/1118048067.db2.gz HSQPOLFKTHHJNZ-UHFFFAOYSA-N 0 1 261.390 3.779 20 0 CHADMN Cc1ccc(F)cc1CN(C)[C@H](C)c1ccncc1 ZINC000183711980 1118048526 /nfs/dbraw/zinc/04/85/26/1118048526.db2.gz UKRGUOHISCEWOX-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN CCCC[C@@H](NCc1nc(C(C)C)no1)C1CCC1 ZINC000184866244 1118057326 /nfs/dbraw/zinc/05/73/26/1118057326.db2.gz MAACFJRPTFTKGB-CYBMUJFWSA-N 0 1 265.401 3.642 20 0 CHADMN CC[C@H](NCCOc1cc(C)ccc1C)c1nccs1 ZINC000185063574 1118059287 /nfs/dbraw/zinc/05/92/87/1118059287.db2.gz PWYHQRNYJGLWOB-AWEZNQCLSA-N 0 1 290.432 3.880 20 0 CHADMN CC[C@@H](NCCOc1cccc(C)c1)c1nccs1 ZINC000185095753 1118059441 /nfs/dbraw/zinc/05/94/41/1118059441.db2.gz YWGYAGVHCCNITB-CQSZACIVSA-N 0 1 276.405 3.571 20 0 CHADMN CC(C)N(Cc1cccs1)Cc1ccc(F)nc1 ZINC000779153529 1128753174 /nfs/dbraw/zinc/75/31/74/1128753174.db2.gz FXJSOLIISAKSAF-UHFFFAOYSA-N 0 1 264.369 3.693 20 0 CHADMN CC1(C)CC[C@H]1NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000579608370 1128753200 /nfs/dbraw/zinc/75/32/00/1128753200.db2.gz RSRBDJAPXPFASH-GFCCVEGCSA-N 0 1 291.782 3.668 20 0 CHADMN CC[C@@H](NCCOc1ccccc1Cl)c1nccs1 ZINC000185115704 1118060042 /nfs/dbraw/zinc/06/00/42/1118060042.db2.gz MRDFNCNRBCWVHH-GFCCVEGCSA-N 0 1 296.823 3.916 20 0 CHADMN C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccccc2F)C1 ZINC000185716639 1118063982 /nfs/dbraw/zinc/06/39/82/1118063982.db2.gz JXMKDDYLKVJEDS-CXAGYDPISA-N 0 1 270.351 3.804 20 0 CHADMN CC[C@H](C)c1ccc(-c2nc([C@@H]3CCCN3)no2)cc1 ZINC000842637996 1128753999 /nfs/dbraw/zinc/75/39/99/1128753999.db2.gz HPLMDJVRXGLJBK-FZMZJTMJSA-N 0 1 271.364 3.675 20 0 CHADMN C[C@H](c1nc(Cc2ccccc2)no1)N1CCCCCCC1 ZINC000741772812 1118079482 /nfs/dbraw/zinc/07/94/82/1118079482.db2.gz AWILHPDQGSGVHB-OAHLLOKOSA-N 0 1 299.418 3.988 20 0 CHADMN COc1cc(F)c(CN2C[C@@H]3CCC[C@H]3C2)cc1Cl ZINC001238789652 1118083704 /nfs/dbraw/zinc/08/37/04/1118083704.db2.gz ZTVYTTOXCXSBRJ-QWRGUYRKSA-N 0 1 283.774 3.720 20 0 CHADMN COc1cc(F)c(CN2C[C@@H](C)C[C@H](C)C2)cc1Cl ZINC001238794987 1118084059 /nfs/dbraw/zinc/08/40/59/1118084059.db2.gz RIPZTDWSRTVDTG-QWRGUYRKSA-N 0 1 285.790 3.966 20 0 CHADMN C[C@@H](O)[C@@H](N[C@@H](C)c1cc2cnccc2o1)c1ccccc1 ZINC000658357342 1118085344 /nfs/dbraw/zinc/08/53/44/1118085344.db2.gz POBKSEICLVWWBI-VEVIJQCQSA-N 0 1 296.370 3.601 20 0 CHADMN CO[C@@](C)(CN[C@H](C)c1nc(C)cs1)c1ccccc1 ZINC000384308045 1118093645 /nfs/dbraw/zinc/09/36/45/1118093645.db2.gz LELUZZUBWDFXQO-CJNGLKHVSA-N 0 1 290.432 3.664 20 0 CHADMN CC1CCC(N(C)Cc2cc(C(C)(C)C)on2)CC1 ZINC000579895362 1118093738 /nfs/dbraw/zinc/09/37/38/1118093738.db2.gz BLDKPCWWKPVXPL-UHFFFAOYSA-N 0 1 264.413 3.983 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1c(Cl)cccc1C(=O)[O-] ZINC000652366999 1118094459 /nfs/dbraw/zinc/09/44/59/1118094459.db2.gz CCKXYUYGCGHCOP-PHIMTYICSA-N 0 1 281.783 3.801 20 0 CHADMN OCC[C@@H](NCc1cc(Cl)cs1)c1ccccc1F ZINC000842762878 1118095051 /nfs/dbraw/zinc/09/50/51/1118095051.db2.gz VFMWTJYZDJORNG-CQSZACIVSA-N 0 1 299.798 3.754 20 0 CHADMN CCC1CCC([N@@H+](C)Cc2cc(C(=O)[O-])c(C)o2)CC1 ZINC000049024487 1118095929 /nfs/dbraw/zinc/09/59/29/1118095929.db2.gz LBJUMEZIJVBTDO-UHFFFAOYSA-N 0 1 279.380 3.687 20 0 CHADMN C[C@H](N[C@H]1CCc2c1cc(F)cc2F)c1ccccn1 ZINC000120937673 1118105205 /nfs/dbraw/zinc/10/52/05/1118105205.db2.gz WFHGKLNBWGBMAS-QFYYESIMSA-N 0 1 274.314 3.698 20 0 CHADMN CCC[C@@H]1CCCN(Cc2noc3c2CCCC3)C1 ZINC000120970556 1118109220 /nfs/dbraw/zinc/10/92/20/1118109220.db2.gz ZVMWFMMHSYXSPI-CYBMUJFWSA-N 0 1 262.397 3.566 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CCC[C@H](C)CC1 ZINC000340214422 1118112265 /nfs/dbraw/zinc/11/22/65/1118112265.db2.gz MPGOUPSPKUADDU-ZDUSSCGKSA-N 0 1 289.398 3.817 20 0 CHADMN CC(=O)Nc1cccc(CNCc2coc3ccccc23)c1 ZINC000121007528 1118112805 /nfs/dbraw/zinc/11/28/05/1118112805.db2.gz CFUBPWMDPRIYSS-UHFFFAOYSA-N 0 1 294.354 3.681 20 0 CHADMN CC[C@H](C)N(CCc1ccccc1F)Cc1cnns1 ZINC001167244212 1118116715 /nfs/dbraw/zinc/11/67/15/1118116715.db2.gz JTSOQWNQTVGGIU-LBPRGKRZSA-N 0 1 293.411 3.520 20 0 CHADMN CSCC1CCN(Cc2nc3ccccc3s2)CC1 ZINC000932589595 1118117531 /nfs/dbraw/zinc/11/75/31/1118117531.db2.gz HBQVTCLHGCNFNV-UHFFFAOYSA-N 0 1 292.473 3.871 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(C(F)(F)F)cc1 ZINC001209965374 1118121018 /nfs/dbraw/zinc/12/10/18/1118121018.db2.gz AAMZLOBJQQHKBJ-UHFFFAOYSA-N 0 1 267.254 3.735 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1ccc(F)cc1 ZINC000769862369 1118124749 /nfs/dbraw/zinc/12/47/49/1118124749.db2.gz YBYSYUNXLHBMOL-JTQLQIEISA-N 0 1 262.328 3.535 20 0 CHADMN COc1cc(Nc2ccc(O)c(C(F)(F)F)c2)ncc1C ZINC001209985499 1118127576 /nfs/dbraw/zinc/12/75/76/1118127576.db2.gz GFUVOYHJBJEHEL-UHFFFAOYSA-N 0 1 298.264 3.867 20 0 CHADMN CC[C@@H](C)CN1CCc2c(Br)cccc2C1 ZINC001167279219 1118143850 /nfs/dbraw/zinc/14/38/50/1118143850.db2.gz JHQGTNRYFQDELG-LLVKDONJSA-N 0 1 282.225 3.853 20 0 CHADMN CC(C)n1cc([C@@H](C)NCc2nccc3ccccc32)cn1 ZINC000765401770 1118149357 /nfs/dbraw/zinc/14/93/57/1118149357.db2.gz CFBWSORKZPRQKA-CQSZACIVSA-N 0 1 294.402 3.863 20 0 CHADMN Cc1cccc([C@H](N[C@@H](C)c2ncc[nH]2)C(C)C)c1 ZINC000528007126 1118151560 /nfs/dbraw/zinc/15/15/60/1118151560.db2.gz DLOWVTYWNJLNQV-DZGCQCFKSA-N 0 1 257.381 3.766 20 0 CHADMN Cc1cc(Nc2cc3cn[nH]c3cc2C)cc(Cl)n1 ZINC001210102289 1118153546 /nfs/dbraw/zinc/15/35/46/1118153546.db2.gz OMRQCXMUHHMRBJ-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN CCOc1ccc([C@H](C)NCc2ccnn2C2CCC2)cc1 ZINC000921513790 1118154319 /nfs/dbraw/zinc/15/43/19/1118154319.db2.gz QGIIJMLSVVYENT-AWEZNQCLSA-N 0 1 299.418 3.858 20 0 CHADMN CC[N@@H+](CCCCCCO)Cc1ccccc1Cl ZINC000175745626 1118154693 /nfs/dbraw/zinc/15/46/93/1118154693.db2.gz UZFYPSOXLLFWPW-UHFFFAOYSA-N 0 1 269.816 3.715 20 0 CHADMN Cc1ccc2nc(CN[C@H]3CCCc4occc43)[nH]c2c1 ZINC000579913731 1118155371 /nfs/dbraw/zinc/15/53/71/1118155371.db2.gz DNZQYZQNOTXXGF-ZDUSSCGKSA-N 0 1 281.359 3.632 20 0 CHADMN CCCn1c(CN[C@@H]2CCC(F)(F)C2)nc2ccccc21 ZINC000315486646 1118155852 /nfs/dbraw/zinc/15/58/52/1118155852.db2.gz MNZHXQXXCHUWSE-GFCCVEGCSA-N 0 1 293.361 3.724 20 0 CHADMN CC(C)Oc1ccc(CNCc2cnn(C3CCC3)c2)cc1 ZINC000921523988 1118157320 /nfs/dbraw/zinc/15/73/20/1118157320.db2.gz AHFUDHBTONUUDO-UHFFFAOYSA-N 0 1 299.418 3.685 20 0 CHADMN COc1cc(CN(C)Cc2ccoc2C)ccc1SC ZINC000171949122 1118160662 /nfs/dbraw/zinc/16/06/62/1118160662.db2.gz OFDCZNHFMBSRGN-UHFFFAOYSA-N 0 1 291.416 3.951 20 0 CHADMN CCOCCN1CCC[C@H]1c1ccccc1Br ZINC000088559379 1118163650 /nfs/dbraw/zinc/16/36/50/1118163650.db2.gz CSNVAMQFJVKTRR-AWEZNQCLSA-N 0 1 298.224 3.623 20 0 CHADMN COc1cccc2c1CN(Cc1ccc(C)c(OC)c1)CC2 ZINC001140158714 1118166945 /nfs/dbraw/zinc/16/69/45/1118166945.db2.gz UTSDXAJGZUKUSU-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN(C)[C@@H](C)c2ccccc2)c1 ZINC000020813665 1118174741 /nfs/dbraw/zinc/17/47/41/1118174741.db2.gz HNGCBSLFRWHNHP-INIZCTEOSA-N 0 1 296.414 3.935 20 0 CHADMN Cc1ccc2nc([C@H]3CCC[N@H+](C/C=C\Cl)C3)[nH]c2c1 ZINC000255070635 1118177172 /nfs/dbraw/zinc/17/71/72/1118177172.db2.gz QQOLKRIMQUMYEF-QTEJZOKPSA-N 0 1 289.810 3.803 20 0 CHADMN Cc1ccc2nc([C@H]3CCC[N@@H+](C/C=C\Cl)C3)[nH]c2c1 ZINC000255070635 1118177174 /nfs/dbraw/zinc/17/71/74/1118177174.db2.gz QQOLKRIMQUMYEF-QTEJZOKPSA-N 0 1 289.810 3.803 20 0 CHADMN CCC(C)(CC)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000646983971 1118181557 /nfs/dbraw/zinc/18/15/57/1118181557.db2.gz SJJSBSUWSPGHQE-UHFFFAOYSA-N 0 1 259.353 3.636 20 0 CHADMN Cc1ccc([C@H](N[C@@H]2CCCn3ccnc32)C2CC2)cc1 ZINC000655687348 1118183306 /nfs/dbraw/zinc/18/33/06/1118183306.db2.gz XZYFXZQVCSGWCD-SJORKVTESA-N 0 1 281.403 3.767 20 0 CHADMN C[C@@H](N[C@@H]1CCCn2ccnc21)c1ccc2c(c1)CCCC2 ZINC000655682830 1118183869 /nfs/dbraw/zinc/18/38/69/1118183869.db2.gz LFXUVJBZHLJAOP-RDTXWAMCSA-N 0 1 295.430 3.948 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000063457192 1118190950 /nfs/dbraw/zinc/19/09/50/1118190950.db2.gz GNYSADWUAOSFOY-UHFFFAOYSA-N 0 1 293.326 3.763 20 0 CHADMN Clc1ncccc1CN1CCC(C2CCC2)CC1 ZINC000693089267 1118194834 /nfs/dbraw/zinc/19/48/34/1118194834.db2.gz QEYHRBMJLDLSPT-UHFFFAOYSA-N 0 1 264.800 3.747 20 0 CHADMN C[C@@H]1CC[C@H](NCc2c(F)c(F)cc(F)c2F)CS1 ZINC000655731114 1118196978 /nfs/dbraw/zinc/19/69/78/1118196978.db2.gz ORSCSUVWWFULAO-SFYZADRCSA-N 0 1 293.329 3.617 20 0 CHADMN Cc1cc([C@H](N[C@H]2CCCn3ccnc32)C2CC2)ccc1F ZINC000655736920 1118197756 /nfs/dbraw/zinc/19/77/56/1118197756.db2.gz LBYQQUSJVQUKSK-DLBZAZTESA-N 0 1 299.393 3.906 20 0 CHADMN COc1cc(C)c(CN2CCc3ncc(C)cc3C2)c(C)c1 ZINC001142950032 1118198179 /nfs/dbraw/zinc/19/81/79/1118198179.db2.gz PJLWQXGQVPKWLE-UHFFFAOYSA-N 0 1 296.414 3.574 20 0 CHADMN c1cn2c(n1)[C@H](NCc1ccc(C3CCC3)cc1)CCC2 ZINC000655758569 1118204247 /nfs/dbraw/zinc/20/42/47/1118204247.db2.gz AXNHJAQSUKRMNQ-QGZVFWFLSA-N 0 1 281.403 3.775 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2NCc1cccc2c1OCC2 ZINC000921613148 1118206049 /nfs/dbraw/zinc/20/60/49/1118206049.db2.gz GGRGQKGUYWELAJ-KRWDZBQOSA-N 0 1 283.346 3.538 20 0 CHADMN C[C@H](NCc1cccc2c1OCC2)c1ccc(F)cc1 ZINC000693112571 1118208233 /nfs/dbraw/zinc/20/82/33/1118208233.db2.gz NNCNFOYZCNJXCA-LBPRGKRZSA-N 0 1 271.335 3.611 20 0 CHADMN Cc1ncncc1[C@@H](C)NC1(c2cccc(F)c2)CCC1 ZINC000655779618 1118208689 /nfs/dbraw/zinc/20/86/89/1118208689.db2.gz OYMLPZACTPRKFO-CYBMUJFWSA-N 0 1 285.366 3.654 20 0 CHADMN CCCN(Cc1nccn1Cc1ccccc1)CC1CC1 ZINC000172167595 1118214745 /nfs/dbraw/zinc/21/47/45/1118214745.db2.gz VSDYDIGUHINTGI-UHFFFAOYSA-N 0 1 283.419 3.553 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cccc(C)c1OC ZINC000655809612 1118218866 /nfs/dbraw/zinc/21/88/66/1118218866.db2.gz BMPCGUDXNCFURC-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN Cc1nccc(N[C@H](C)c2nc3c(s2)CCC3)c1Cl ZINC000413392247 1118219979 /nfs/dbraw/zinc/21/99/79/1118219979.db2.gz IFQAQMMAGDGXDG-SECBINFHSA-N 0 1 293.823 3.584 20 0 CHADMN Cc1cc([C@@H](C)NC(=O)c2cccc3nc(C)[nH]c32)c(C)o1 ZINC000338580387 1118226626 /nfs/dbraw/zinc/22/66/26/1118226626.db2.gz LPPWDEBGEDVQAA-SNVBAGLBSA-N 0 1 297.358 3.572 20 0 CHADMN Cc1cc([C@H](C)NC(=O)c2cccc3nc(C)[nH]c32)c(C)o1 ZINC000338580385 1118226867 /nfs/dbraw/zinc/22/68/67/1118226867.db2.gz LPPWDEBGEDVQAA-JTQLQIEISA-N 0 1 297.358 3.572 20 0 CHADMN COc1c(C)cccc1CNCc1cccc(Cl)c1 ZINC000655831686 1118227842 /nfs/dbraw/zinc/22/78/42/1118227842.db2.gz LUZDOYHRKBPWQH-UHFFFAOYSA-N 0 1 275.779 3.947 20 0 CHADMN Cc1c(Br)cncc1CN1CCC[C@@H](C)CC1 ZINC001204498263 1118231574 /nfs/dbraw/zinc/23/15/74/1118231574.db2.gz YGJNGGKDESWLFT-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1cscn1 ZINC000172307216 1118232623 /nfs/dbraw/zinc/23/26/23/1118232623.db2.gz SCTWUMIJQJGJOX-OCCSQVGLSA-N 0 1 258.390 3.521 20 0 CHADMN Cc1ccc(-c2nnc(CN([C@H](C)C3CC3)C3CC3)o2)cc1 ZINC000042123747 1118234141 /nfs/dbraw/zinc/23/41/41/1118234141.db2.gz YPYZFRXDVQJBDV-CYBMUJFWSA-N 0 1 297.402 3.808 20 0 CHADMN Cc1nn(C)c(C)c1CNCc1cc2cc(C)c(C)cc2o1 ZINC001649044029 1118241840 /nfs/dbraw/zinc/24/18/40/1118241840.db2.gz XBNQVJMUBAXSLK-UHFFFAOYSA-N 0 1 297.402 3.690 20 0 CHADMN O=C([O-])[C@@H](CC[N@H+]1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000579961899 1118246510 /nfs/dbraw/zinc/24/65/10/1118246510.db2.gz QTSAJKUQODZCTF-JKSUJKDBSA-N 0 1 299.370 3.675 20 0 CHADMN Cc1cccc2c1OCC[C@@H]2NCc1cnn(C2CCC2)c1 ZINC000921635127 1118247929 /nfs/dbraw/zinc/24/79/29/1118247929.db2.gz QXYXVIIXTFKLNM-KRWDZBQOSA-N 0 1 297.402 3.530 20 0 CHADMN CC(C)c1cnc(CNC[C@@H]2CCC3(CCCC3)O2)s1 ZINC000655863088 1118249790 /nfs/dbraw/zinc/24/97/90/1118249790.db2.gz GZDGKQSXWMLRMW-ZDUSSCGKSA-N 0 1 294.464 3.848 20 0 CHADMN Cc1occc1CNCc1cccc(OCC(F)(F)F)c1 ZINC000340442678 1118252801 /nfs/dbraw/zinc/25/28/01/1118252801.db2.gz CAFYLDTVSRNMEH-UHFFFAOYSA-N 0 1 299.292 3.819 20 0 CHADMN Fc1ccc([C@H](NC[C@@H]2CCCC23CC3)c2ncc[nH]2)cc1 ZINC000624314460 1118254376 /nfs/dbraw/zinc/25/43/76/1118254376.db2.gz IVBSIXWLSQIHOW-HOCLYGCPSA-N 0 1 299.393 3.808 20 0 CHADMN C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1cccc2c1OCO2 ZINC000151036725 1118261711 /nfs/dbraw/zinc/26/17/11/1118261711.db2.gz KWJMKAWLRGJAIA-DIFFPNOSSA-N 0 1 299.345 3.578 20 0 CHADMN c1ccc(-c2nc(CN3CCC[C@@H]3C3CCCC3)no2)cc1 ZINC000056511936 1118273186 /nfs/dbraw/zinc/27/31/86/1118273186.db2.gz JHBFMCUWKCWONG-MRXNPFEDSA-N 0 1 297.402 3.891 20 0 CHADMN CCc1noc(CN2CCC[C@@](C)(c3ccccc3)CC2)n1 ZINC000671704058 1118273252 /nfs/dbraw/zinc/27/32/52/1118273252.db2.gz OEAUUKYGZVKWAA-GOSISDBHSA-N 0 1 299.418 3.576 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@H]2CC2CCCC2)c1 ZINC000655936794 1118274330 /nfs/dbraw/zinc/27/43/30/1118274330.db2.gz PEJHJWDBQHVSIM-KRWDZBQOSA-N 0 1 287.403 3.930 20 0 CHADMN Brc1ccc2c(c1)CCN(C1CCCC1)C2 ZINC000074449557 1118281079 /nfs/dbraw/zinc/28/10/79/1118281079.db2.gz BUGQIIDNIVLYHX-UHFFFAOYSA-N 0 1 280.209 3.750 20 0 CHADMN CN(CCc1ccccc1)Cc1nc2ccccc2s1 ZINC000057620228 1118282226 /nfs/dbraw/zinc/28/22/26/1118282226.db2.gz GSVLVMKXDOVEML-UHFFFAOYSA-N 0 1 282.412 3.971 20 0 CHADMN C[C@@H](NCc1c(F)cccc1Cl)[C@]1(C)CCCO1 ZINC000340475743 1118286191 /nfs/dbraw/zinc/28/61/91/1118286191.db2.gz XZIYARXQCNHLDO-YGRLFVJLSA-N 0 1 271.763 3.526 20 0 CHADMN C[C@H]1CC(C)(C)C[C@H]1Nc1cnn(-c2ccncc2)c1 ZINC000683692607 1118288467 /nfs/dbraw/zinc/28/84/67/1118288467.db2.gz JIBDRMKXNLEHGA-SWLSCSKDSA-N 0 1 270.380 3.504 20 0 CHADMN CCCCC[C@H](NCc1nnc(CC)o1)C(C)(C)C ZINC000179923358 1128767847 /nfs/dbraw/zinc/76/78/47/1128767847.db2.gz SDRHYCKSYHEKHU-LBPRGKRZSA-N 0 1 267.417 3.717 20 0 CHADMN C=Cn1cc(CN2CCCC[C@H]2c2ccccc2OC)cn1 ZINC000683700406 1118294214 /nfs/dbraw/zinc/29/42/14/1118294214.db2.gz YKJDEDDNTLFQRL-KRWDZBQOSA-N 0 1 297.402 3.719 20 0 CHADMN O=C(c1cccc2[nH]cnc21)N1CC[C@H](C2CCCCC2)C1 ZINC000618184685 1118298002 /nfs/dbraw/zinc/29/80/02/1118298002.db2.gz CWKQPBNPAFKAJW-AWEZNQCLSA-N 0 1 297.402 3.605 20 0 CHADMN FC(F)Oc1ccc(CN2CCc3sccc3C2)cc1 ZINC000060466780 1118299447 /nfs/dbraw/zinc/29/94/47/1118299447.db2.gz NULZNKJIOCXQBZ-UHFFFAOYSA-N 0 1 295.354 3.908 20 0 CHADMN FC(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccns1 ZINC000932800415 1118305834 /nfs/dbraw/zinc/30/58/34/1118305834.db2.gz KFKBLIKBTOCTSO-FGWVZKOKSA-N 0 1 272.364 3.541 20 0 CHADMN FC(F)CC1C[C@H]2CC[C@@H](C1)N2Cc1ccns1 ZINC000932800415 1118305839 /nfs/dbraw/zinc/30/58/39/1118305839.db2.gz KFKBLIKBTOCTSO-FGWVZKOKSA-N 0 1 272.364 3.541 20 0 CHADMN Cc1scc(CNCc2ccc(Cl)o2)c1C ZINC000399763750 1118306729 /nfs/dbraw/zinc/30/67/29/1118306729.db2.gz GDNBZSNFEOVPRQ-UHFFFAOYSA-N 0 1 255.770 3.901 20 0 CHADMN Cc1cncc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000186191586 1118307302 /nfs/dbraw/zinc/30/73/02/1118307302.db2.gz SVRPBVSQUIWNQU-LLVKDONJSA-N 0 1 276.767 3.600 20 0 CHADMN COc1ccc(C)cc1CN(C)CCOc1ccccc1 ZINC000061758985 1118308443 /nfs/dbraw/zinc/30/84/43/1118308443.db2.gz HMBNMOYQWPJECR-UHFFFAOYSA-N 0 1 285.387 3.514 20 0 CHADMN Fc1cc(F)c2c(c1)[C@H](NCc1ccns1)CCC2 ZINC000639215349 1118309733 /nfs/dbraw/zinc/30/97/33/1118309733.db2.gz ADWPDECGRAWGIX-CQSZACIVSA-N 0 1 280.343 3.589 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@H](C)c1ccnn1C ZINC000282255585 1118311354 /nfs/dbraw/zinc/31/13/54/1118311354.db2.gz JSCKREIOLNCMAM-NWDGAFQWSA-N 0 1 275.421 3.554 20 0 CHADMN Cc1cc([C@@H](C)NCCCCCC(=O)OC(C)(C)C)no1 ZINC000340513400 1118313821 /nfs/dbraw/zinc/31/38/21/1118313821.db2.gz DCKBOHGPHUAHQG-CYBMUJFWSA-N 0 1 296.411 3.536 20 0 CHADMN CC(C)C[C@@H](C)CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000340514698 1118315033 /nfs/dbraw/zinc/31/50/33/1118315033.db2.gz GXGJSEBGEVQLJX-LLVKDONJSA-N 0 1 259.353 3.574 20 0 CHADMN CC[C@@H]1CC[C@H](C)C[C@H]1NCc1ncn(-c2ccccc2)n1 ZINC000340522793 1118316142 /nfs/dbraw/zinc/31/61/42/1118316142.db2.gz DWYHRASBIZLIHE-ZMSDIMECSA-N 0 1 298.434 3.572 20 0 CHADMN CCO[C@H](CCN[C@H](C)c1cc(C)on1)C1CCCC1 ZINC000340519972 1118316247 /nfs/dbraw/zinc/31/62/47/1118316247.db2.gz SUQFFMLOZFDMHY-CZUORRHYSA-N 0 1 280.412 3.619 20 0 CHADMN CCc1ccc(-c2noc(CN(C)CC3CCCC3)n2)cc1 ZINC000064021159 1118322644 /nfs/dbraw/zinc/32/26/44/1118322644.db2.gz RZQZREZKLVOLRI-UHFFFAOYSA-N 0 1 299.418 3.921 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1cccc(O)c1 ZINC000671746291 1118332361 /nfs/dbraw/zinc/33/23/61/1118332361.db2.gz GIQIRSUEDKFUHK-MNOVXSKESA-N 0 1 298.342 3.651 20 0 CHADMN CCCC[C@@H](CC)C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000580206044 1118401263 /nfs/dbraw/zinc/40/12/63/1118401263.db2.gz MLXJZKPJGZCCRO-KGLIPLIRSA-N 0 1 257.418 3.634 20 0 CHADMN CCN(Cc1cc(Br)ccc1F)C1CC1 ZINC000065533568 1118334537 /nfs/dbraw/zinc/33/45/37/1118334537.db2.gz BWMKFKBRJVIBFW-UHFFFAOYSA-N 0 1 272.161 3.573 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccoc1 ZINC000671753229 1118343631 /nfs/dbraw/zinc/34/36/31/1118343631.db2.gz HGZMEJXJVIGYGB-NXEZZACHSA-N 0 1 272.304 3.538 20 0 CHADMN CCC(C)(C)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001168595079 1118348416 /nfs/dbraw/zinc/34/84/16/1118348416.db2.gz VWIGPMJHGWMUAF-GASCZTMLSA-N 0 1 275.436 3.983 20 0 CHADMN CCc1ncc(CN(C)CCOc2ccccc2C)s1 ZINC000067486560 1118353467 /nfs/dbraw/zinc/35/34/67/1118353467.db2.gz WTYKOVAAFVMLBE-UHFFFAOYSA-N 0 1 290.432 3.525 20 0 CHADMN CC(C)(C)c1n[nH]c(SCCc2c(F)cccc2F)n1 ZINC000647116285 1118357031 /nfs/dbraw/zinc/35/70/31/1118357031.db2.gz IPERPTZSOAZLOS-UHFFFAOYSA-N 0 1 297.374 3.715 20 0 CHADMN CC(C)(C)c1nc(SCCc2c(F)cccc2F)n[nH]1 ZINC000647116285 1118357038 /nfs/dbraw/zinc/35/70/38/1118357038.db2.gz IPERPTZSOAZLOS-UHFFFAOYSA-N 0 1 297.374 3.715 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)[N@@H+](C)CCCC(=O)[O-] ZINC000083662667 1118357416 /nfs/dbraw/zinc/35/74/16/1118357416.db2.gz KRPBCKVBLALKTE-ZDUSSCGKSA-N 0 1 271.360 3.697 20 0 CHADMN COc1ccc(CN[C@@H]2CSc3ccccc32)cc1 ZINC000083748669 1118359635 /nfs/dbraw/zinc/35/96/35/1118359635.db2.gz DKMIXDZTQNVPGN-OAHLLOKOSA-N 0 1 271.385 3.632 20 0 CHADMN Cc1cncc(CNc2ccnc3cc(F)ccc32)c1 ZINC000340571480 1118362064 /nfs/dbraw/zinc/36/20/64/1118362064.db2.gz UHUNBXBOKNCTJJ-UHFFFAOYSA-N 0 1 267.307 3.689 20 0 CHADMN CCc1ccc([C@H]2CCCCC[N@H+]2CC2(C(=O)[O-])CC2)o1 ZINC000568067296 1118363634 /nfs/dbraw/zinc/36/36/34/1118363634.db2.gz RCMAHRWGTCSFTA-CQSZACIVSA-N 0 1 291.391 3.624 20 0 CHADMN Cc1ccc2nc(SCCC(F)(F)F)[nH]c2c1 ZINC000072969744 1118378076 /nfs/dbraw/zinc/37/80/76/1118378076.db2.gz SFMQMTBAHHHIEI-UHFFFAOYSA-N 0 1 260.284 3.916 20 0 CHADMN Cc1cccc(C2(NCc3ccno3)CCCC2)c1 ZINC000072962848 1118378303 /nfs/dbraw/zinc/37/83/03/1118378303.db2.gz HTNKNOJYMHHHHG-UHFFFAOYSA-N 0 1 256.349 3.542 20 0 CHADMN COCCN(CCC(C)C)Cc1ccc(F)cc1Cl ZINC001167353949 1118380410 /nfs/dbraw/zinc/38/04/10/1118380410.db2.gz TUKQTNTZHUYVES-UHFFFAOYSA-N 0 1 287.806 3.974 20 0 CHADMN C[C@@H](NC/C=C\c1ccccc1)c1nc2ccccc2n1C ZINC000255120071 1118382340 /nfs/dbraw/zinc/38/23/40/1118382340.db2.gz UYQAHCCJPRCJNV-MEODZPNASA-N 0 1 291.398 3.937 20 0 CHADMN C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1cc(Cl)ccc1[O-] ZINC000186229808 1118395879 /nfs/dbraw/zinc/39/58/79/1118395879.db2.gz VICHQAIVRAXALE-VIFPVBQESA-N 0 1 297.185 3.945 20 0 CHADMN CN(Cc1cc(Cl)cn1C)Cc1ccc2cnccc2c1 ZINC000683832881 1118400339 /nfs/dbraw/zinc/40/03/39/1118400339.db2.gz WQXOSSHXODFFOL-UHFFFAOYSA-N 0 1 299.805 3.859 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1scnc1C ZINC000255170803 1118400728 /nfs/dbraw/zinc/40/07/28/1118400728.db2.gz NCKVQYRAOILZIV-LCYFTJDESA-N 0 1 272.417 3.987 20 0 CHADMN CCCc1nc(CN2CCCCCCC2)cs1 ZINC000043563901 1118402019 /nfs/dbraw/zinc/40/20/19/1118402019.db2.gz CZHYKDVGWJISIF-UHFFFAOYSA-N 0 1 252.427 3.862 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@H](CO)c2ccsc2)cc1 ZINC000349313665 1118421866 /nfs/dbraw/zinc/42/18/66/1118421866.db2.gz PFEHYVYEBPSRAF-MLGOLLRUSA-N 0 1 291.416 3.531 20 0 CHADMN C[C@@H]1CN(CCCOC(C)(C)C)C[C@@H](c2ccccc2)O1 ZINC000674905199 1118437679 /nfs/dbraw/zinc/43/76/79/1118437679.db2.gz LIJFLNQTPRKFKC-WBVHZDCISA-N 0 1 291.435 3.654 20 0 CHADMN Cc1noc(C)c1[C@@H](C)Nc1ccc(CN(C)C)c(F)c1 ZINC000926100030 1118438251 /nfs/dbraw/zinc/43/82/51/1118438251.db2.gz FTHYHPDEGCZBBE-SNVBAGLBSA-N 0 1 291.370 3.665 20 0 CHADMN FC(F)(F)c1cnc(CNC[C@@H]2Cc3ccccc32)s1 ZINC000683927041 1118446909 /nfs/dbraw/zinc/44/69/09/1118446909.db2.gz KAZPYTDWJDDEBP-JTQLQIEISA-N 0 1 298.333 3.591 20 0 CHADMN c1c2ccccc2[nH]c1CNCc1ccc2c(n1)CCCC2 ZINC000683931129 1118450372 /nfs/dbraw/zinc/45/03/72/1118450372.db2.gz QKHUYASMXIVSOI-UHFFFAOYSA-N 0 1 291.398 3.732 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000122739422 1118453356 /nfs/dbraw/zinc/45/33/56/1118453356.db2.gz VUIJLHDWGOJEQP-JSGCOSHPSA-N 0 1 293.432 3.909 20 0 CHADMN CCSCCSc1nc2ccc(C)cc2[nH]1 ZINC000197437922 1118460356 /nfs/dbraw/zinc/46/03/56/1118460356.db2.gz POHHETYRQHPJDD-UHFFFAOYSA-N 0 1 252.408 3.717 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](CCC2CCCCCC2)C1 ZINC000394578090 1118460633 /nfs/dbraw/zinc/46/06/33/1118460633.db2.gz QSEDILDEZQFEPW-KRWDZBQOSA-N 0 1 281.440 3.780 20 0 CHADMN Cc1cccc(CNC/C=C/C2CC2)c1Br ZINC001658011364 1118461447 /nfs/dbraw/zinc/46/14/47/1118461447.db2.gz AAXRPBLDDPFPHE-HWKANZROSA-N 0 1 280.209 3.813 20 0 CHADMN Cc1conc1C[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC001167406774 1118462125 /nfs/dbraw/zinc/46/21/25/1118462125.db2.gz VTXKXHFCANKOJV-CYBMUJFWSA-N 0 1 250.386 3.631 20 0 CHADMN CC(C)Cc1ncc(CNC(C)(C)/C=C\Cl)s1 ZINC001658636506 1118471416 /nfs/dbraw/zinc/47/14/16/1118471416.db2.gz RTRNLQYRALFGRI-WAYWQWQTSA-N 0 1 272.845 3.962 20 0 CHADMN CC(C)c1ccc([C@@H](C)[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1 ZINC000263147836 1118475280 /nfs/dbraw/zinc/47/52/80/1118475280.db2.gz FCVPZNCPMMBFAV-CKEIUWERSA-N 0 1 289.419 3.914 20 0 CHADMN Oc1c(Cl)c(Cl)c(Cl)cc1NC1=CCOC1 ZINC001203397841 1118480866 /nfs/dbraw/zinc/48/08/66/1118480866.db2.gz GYQFMVBOMDBCEH-UHFFFAOYSA-N 0 1 280.538 3.678 20 0 CHADMN CC(C)(CC(F)(F)F)C(=O)Nc1ccc(F)c(F)c1O ZINC000616195106 1128780720 /nfs/dbraw/zinc/78/07/20/1128780720.db2.gz NRMQFFKKGHETLA-UHFFFAOYSA-N 0 1 297.223 3.588 20 0 CHADMN Cc1ccc(-c2ccc(Nc3cncn3C)cn2)cc1 ZINC001211246834 1118486617 /nfs/dbraw/zinc/48/66/17/1118486617.db2.gz UODVOUYYIOIZFE-UHFFFAOYSA-N 0 1 264.332 3.534 20 0 CHADMN Cn1cncc1Nc1cc(Cl)c(F)c(Cl)c1F ZINC001211250046 1118487505 /nfs/dbraw/zinc/48/75/05/1118487505.db2.gz FTIDCZILHJNEIP-UHFFFAOYSA-N 0 1 278.089 3.749 20 0 CHADMN Cn1cncc1Nc1ccc(OC(F)(F)F)cc1Cl ZINC001211250577 1118488136 /nfs/dbraw/zinc/48/81/36/1118488136.db2.gz MFOWZZYMFOTYSY-UHFFFAOYSA-N 0 1 291.660 3.716 20 0 CHADMN c1cc(-c2ccc(CN3CCCc4sccc4C3)o2)n[nH]1 ZINC000684022621 1118490568 /nfs/dbraw/zinc/49/05/68/1118490568.db2.gz MPSFZSFPQMOQPK-UHFFFAOYSA-N 0 1 299.399 3.680 20 0 CHADMN CC1(C)CN(Cc2cc3ccccc3[nH]2)CC(C)(C)O1 ZINC000684024103 1118490864 /nfs/dbraw/zinc/49/08/64/1118490864.db2.gz LULFCRZJNBIYPQ-UHFFFAOYSA-N 0 1 272.392 3.557 20 0 CHADMN COc1ccc2c(c1)CN([C@@H](C)Cc1ccsc1)C2 ZINC000656274533 1118493083 /nfs/dbraw/zinc/49/30/83/1118493083.db2.gz BXUURIMPLFNCPM-LBPRGKRZSA-N 0 1 273.401 3.704 20 0 CHADMN COc1ccnc([C@H](C)N[C@H]2c3cc(C)ccc3C[C@@H]2C)c1 ZINC000926117075 1118493344 /nfs/dbraw/zinc/49/33/44/1118493344.db2.gz NXVCNNZTMVUJOM-CKFHNAJUSA-N 0 1 296.414 3.983 20 0 CHADMN CCOCc1ccc(CNCc2cccc(F)c2F)cc1 ZINC000058178986 1118499875 /nfs/dbraw/zinc/49/98/75/1118499875.db2.gz VFIXPWXAHWWWCE-UHFFFAOYSA-N 0 1 291.341 3.791 20 0 CHADMN CC[C@@H]1CCCN(Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000048058008 1118506948 /nfs/dbraw/zinc/50/69/48/1118506948.db2.gz JNPSPJMIEUVMKH-CQSZACIVSA-N 0 1 285.391 3.667 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@@H](c1ccccc1)[C@H](C)O ZINC000658364085 1118518896 /nfs/dbraw/zinc/51/88/96/1118518896.db2.gz ZKBUIJHZSWSNHU-YZVOILCLSA-N 0 1 299.414 3.858 20 0 CHADMN CC1(C)Cc2occc2[C@@H](N[C@@H](CO)c2ccsc2)C1 ZINC000349356576 1118520245 /nfs/dbraw/zinc/52/02/45/1118520245.db2.gz QSOTZEHRWRAJRV-KBPBESRZSA-N 0 1 291.416 3.678 20 0 CHADMN Cc1c(CN(C)C/C=C\c2ccc(Cl)cc2)cnn1C ZINC000684107197 1118520820 /nfs/dbraw/zinc/52/08/20/1118520820.db2.gz AUABIRDCNVSCGE-PLNGDYQASA-N 0 1 289.810 3.527 20 0 CHADMN CC1(C)CCc2onc(CN3CCC[C@H]4CCC[C@@H]43)c2C1 ZINC001167438959 1118522664 /nfs/dbraw/zinc/52/26/64/1118522664.db2.gz RPJLCOOUZXPJMV-CJNGLKHVSA-N 0 1 288.435 3.954 20 0 CHADMN CC(C)(C)c1nc(CNCCCOC2CCCC2)cs1 ZINC000127304483 1118526412 /nfs/dbraw/zinc/52/64/12/1118526412.db2.gz URTWJNZBNYYRRD-UHFFFAOYSA-N 0 1 296.480 3.880 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccccc2C2CC2)C(C)(C)CO1 ZINC001167443296 1118535663 /nfs/dbraw/zinc/53/56/63/1118535663.db2.gz RQOQDPSWNNPSQY-UHFFFAOYSA-N 0 1 273.420 3.953 20 0 CHADMN CCOCC(C)(C)NCc1nc2cc(C)ccc2s1 ZINC000625448438 1118542257 /nfs/dbraw/zinc/54/22/57/1118542257.db2.gz LGFSIVKNTNPQDG-UHFFFAOYSA-N 0 1 278.421 3.509 20 0 CHADMN Cl/C=C\CN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000255276137 1118543103 /nfs/dbraw/zinc/54/31/03/1118543103.db2.gz BVIMBOCVEHBRHQ-LDJOOVGUSA-N 0 1 276.767 3.760 20 0 CHADMN C[C@@H](Cc1cccs1)N(C)Cc1ccc(F)cc1C#N ZINC000081573584 1118545113 /nfs/dbraw/zinc/54/51/13/1118545113.db2.gz XNIRPFWUTFYNHL-LBPRGKRZSA-N 0 1 288.391 3.822 20 0 CHADMN Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000656450322 1118552888 /nfs/dbraw/zinc/55/28/88/1118552888.db2.gz CXCQKZLHNHVUCW-IBGZPJMESA-N 0 1 295.430 3.943 20 0 CHADMN CC[C@@H](Sc1ccccc1)c1nc([C@@H]2CCCN2)no1 ZINC000647149494 1118554529 /nfs/dbraw/zinc/55/45/29/1118554529.db2.gz MYGVXOOWLBWNJS-QWHCGFSZSA-N 0 1 289.404 3.738 20 0 CHADMN CC(C)[C@@H]1CCCCCN1C(=O)c1cccc(F)c1O ZINC001266691270 1118555515 /nfs/dbraw/zinc/55/55/15/1118555515.db2.gz JYADTGXKTPXJRJ-AWEZNQCLSA-N 0 1 279.355 3.572 20 0 CHADMN CCC[C@@H](CC1CCCC1)c1nc([C@@H]2CCCN2)no1 ZINC000647149935 1118556037 /nfs/dbraw/zinc/55/60/37/1118556037.db2.gz WGOUIFGJHWBPKK-KBPBESRZSA-N 0 1 277.412 3.958 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2ccc3c(n2)CCC3)cc1 ZINC000656471497 1118560705 /nfs/dbraw/zinc/56/07/05/1118560705.db2.gz VTXQCNSTBKVTET-CQSZACIVSA-N 0 1 296.414 3.820 20 0 CHADMN Cc1cc2[nH]c(Cc3cc(C)cc(C)c3)nc(=O)c2s1 ZINC000656492015 1118565394 /nfs/dbraw/zinc/56/53/94/1118565394.db2.gz SZPVGSLBUOTYFH-UHFFFAOYSA-N 0 1 284.384 3.913 20 0 CHADMN Fc1ccc(-c2ccc(-c3nc([C@@H]4CCCN4)no3)o2)cc1 ZINC000647155046 1118567778 /nfs/dbraw/zinc/56/77/78/1118567778.db2.gz QETBFKVGSIAQBR-LBPRGKRZSA-N 0 1 299.305 3.560 20 0 CHADMN OC[C@H]1CCC[C@@H](CNc2ccnc3cc(F)ccc32)C1 ZINC000340991956 1118573285 /nfs/dbraw/zinc/57/32/85/1118573285.db2.gz ZNGYKGMEBAELLI-OLZOCXBDSA-N 0 1 288.366 3.585 20 0 CHADMN Cc1nnsc1CN[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000293785402 1118581832 /nfs/dbraw/zinc/58/18/32/1118581832.db2.gz UEASTUXUQFSUPP-LBPRGKRZSA-N 0 1 289.448 3.896 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCO2 ZINC000092327216 1118583565 /nfs/dbraw/zinc/58/35/65/1118583565.db2.gz HVSXSNRTUIXBRC-WDEREUQCSA-N 0 1 286.375 3.638 20 0 CHADMN Cc1cnc(CN[C@H]2CCC(C)(C)c3ccccc32)n1C ZINC000341015027 1118584735 /nfs/dbraw/zinc/58/47/35/1118584735.db2.gz NNRRBQDMBWZUBF-INIZCTEOSA-N 0 1 283.419 3.631 20 0 CHADMN CO[C@@H]1CCCN(Cc2c(F)cc(C)cc2Cl)CC1 ZINC000656537003 1118587461 /nfs/dbraw/zinc/58/74/61/1118587461.db2.gz ZWMWDZORSDIVJB-GFCCVEGCSA-N 0 1 285.790 3.788 20 0 CHADMN Cc1ccc(N2CCN([C@@H](C)c3ccccn3)CC2)cc1C ZINC000071711697 1118592269 /nfs/dbraw/zinc/59/22/69/1118592269.db2.gz GBXPBAQBPYAXAB-KRWDZBQOSA-N 0 1 295.430 3.582 20 0 CHADMN CC1=CC[C@@](C)(c2nc([C@H](N)CC(C)C)no2)CC1 ZINC000656560739 1118595587 /nfs/dbraw/zinc/59/55/87/1118595587.db2.gz HEFPMUCXSBHZEE-IUODEOHRSA-N 0 1 263.385 3.503 20 0 CHADMN CCO[C@@H]1CCCN(Cc2ccc(C(F)F)c(F)c2)C1 ZINC000891399516 1118595614 /nfs/dbraw/zinc/59/56/14/1118595614.db2.gz KPHCTVIXPWKAKA-GFCCVEGCSA-N 0 1 287.325 3.764 20 0 CHADMN C/C=C\c1ccc(NS(=O)(=O)c2ccsc2)cc1 ZINC000341053704 1118598887 /nfs/dbraw/zinc/59/88/87/1118598887.db2.gz TWYOVCZZKVVTIJ-IHWYPQMZSA-N 0 1 279.386 3.582 20 0 CHADMN Cc1cnc(CN[C@@H](c2ccccc2)C(C)(C)C)n1C ZINC000341095258 1118602268 /nfs/dbraw/zinc/60/22/68/1118602268.db2.gz SNQXAIJOGDSFTH-INIZCTEOSA-N 0 1 271.408 3.606 20 0 CHADMN COc1cc(F)c(F)cc1CN1CC[C@H](C)C[C@H]1C ZINC001143394648 1118606216 /nfs/dbraw/zinc/60/62/16/1118606216.db2.gz KLULAWLFFWQDEJ-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN FC(F)(F)CCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000072980256 1118609311 /nfs/dbraw/zinc/60/93/11/1118609311.db2.gz PBTLHZVMTMTASE-NSHDSACASA-N 0 1 293.354 3.682 20 0 CHADMN CCN(Cc1ncc(Br)s1)[C@H](C)C(C)C ZINC000341178799 1118611912 /nfs/dbraw/zinc/61/19/12/1118611912.db2.gz QWNMCSLCIYVFBA-SECBINFHSA-N 0 1 291.258 3.772 20 0 CHADMN COc1ccc2[nH]cc(C[N@H+]3CC[C@@H](C(F)(F)F)C3)c2c1 ZINC001138510801 1128788956 /nfs/dbraw/zinc/78/89/56/1128788956.db2.gz KASAFVQZSCNEBP-LLVKDONJSA-N 0 1 298.308 3.561 20 0 CHADMN COc1ccc2[nH]cc(C[N@H+]3CC[C@H](C(F)(F)F)C3)c2c1 ZINC001138510802 1128789136 /nfs/dbraw/zinc/78/91/36/1128789136.db2.gz KASAFVQZSCNEBP-NSHDSACASA-N 0 1 298.308 3.561 20 0 CHADMN Cc1cnc([C@H](C)NC/C=C/c2ccc(F)cc2)s1 ZINC000128673861 1118625643 /nfs/dbraw/zinc/62/56/43/1118625643.db2.gz ZOUAWOASHXOFBH-PCAWENJQSA-N 0 1 276.380 3.955 20 0 CHADMN CCc1ncc(CN2CC(Cc3ccc(F)cc3)C2)s1 ZINC000656669020 1118630882 /nfs/dbraw/zinc/63/08/82/1118630882.db2.gz OOGJLLRJTNVUEA-UHFFFAOYSA-N 0 1 290.407 3.519 20 0 CHADMN CC1(C)Cc2cc(CN3CC(CC(F)(F)F)C3)ccc2O1 ZINC000656686648 1118636505 /nfs/dbraw/zinc/63/65/05/1118636505.db2.gz UEVBTLOJCDIFRY-UHFFFAOYSA-N 0 1 299.336 3.784 20 0 CHADMN CCc1oc2ccccc2c1CN1CC(C(F)F)C1 ZINC000656690672 1118639242 /nfs/dbraw/zinc/63/92/42/1118639242.db2.gz NRZPKMNFDSYREM-UHFFFAOYSA-N 0 1 265.303 3.692 20 0 CHADMN Clc1cccc(CN2CCC3(CCCC3)CC2)n1 ZINC000075765084 1118640025 /nfs/dbraw/zinc/64/00/25/1118640025.db2.gz KEYHSORZXMJIKD-UHFFFAOYSA-N 0 1 264.800 3.891 20 0 CHADMN O[C@@H](CCc1ccccc1)CN1CC[C@@H]1c1ccc(F)cc1 ZINC000656707588 1118640924 /nfs/dbraw/zinc/64/09/24/1118640924.db2.gz DWEAQFQOIDFHHB-RBUKOAKNSA-N 0 1 299.389 3.566 20 0 CHADMN O=C(CCN1CC[C@@H]1c1ccc(F)cc1)Nc1ccccc1 ZINC000656708686 1118641220 /nfs/dbraw/zinc/64/12/20/1118641220.db2.gz PBCBLDLYIDNGJF-QGZVFWFLSA-N 0 1 298.361 3.601 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCCC2(CCCC2)CC1 ZINC000656758679 1118649994 /nfs/dbraw/zinc/64/99/94/1118649994.db2.gz KWJSUIHFZCIQCN-UHFFFAOYSA-N 0 1 267.413 3.678 20 0 CHADMN Cc1cccc(C)c1[C@H]1CCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000656757166 1118650315 /nfs/dbraw/zinc/65/03/15/1118650315.db2.gz KSGBUUUZLHZJIR-OAHLLOKOSA-N 0 1 299.370 3.932 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656761329 1118650891 /nfs/dbraw/zinc/65/08/91/1118650891.db2.gz OQUFURKIVLQDQB-OAHLLOKOSA-N 0 1 267.413 3.534 20 0 CHADMN CCc1ccc(C)nc1NCc1cn2cc(C)ccc2n1 ZINC000656779367 1118655636 /nfs/dbraw/zinc/65/56/36/1118655636.db2.gz VXECRZYANRFIOG-UHFFFAOYSA-N 0 1 280.375 3.521 20 0 CHADMN Cc1ccnc(NCc2ccc3c(c2)OCCO3)c1C1CC1 ZINC000656779148 1118655706 /nfs/dbraw/zinc/65/57/06/1118655706.db2.gz HVVITHFBBBMLKV-UHFFFAOYSA-N 0 1 296.370 3.651 20 0 CHADMN Cc1ccnc(NCc2cn3cccc(F)c3n2)c1C1CC1 ZINC000656778771 1118656054 /nfs/dbraw/zinc/65/60/54/1118656054.db2.gz AAGGDHNLGMOTQW-UHFFFAOYSA-N 0 1 296.349 3.666 20 0 CHADMN CCc1ccc(C)nc1NCc1cn(C(C)C)nc1C ZINC000656779331 1118656123 /nfs/dbraw/zinc/65/61/23/1118656123.db2.gz UYVNXTDLGRZBTN-UHFFFAOYSA-N 0 1 272.396 3.650 20 0 CHADMN CS[C@H]1CCCCN(Cc2ccc(C)nc2Cl)C1 ZINC000687931565 1128792108 /nfs/dbraw/zinc/79/21/08/1128792108.db2.gz DUCUWXWFZOGOAB-ZDUSSCGKSA-N 0 1 284.856 3.761 20 0 CHADMN CC(C)n1nccc1CN[C@@H]1CSCc2ccccc21 ZINC000684372074 1118661373 /nfs/dbraw/zinc/66/13/73/1118661373.db2.gz GKGYBDSMCKHXRE-MRXNPFEDSA-N 0 1 287.432 3.542 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)NCc1ccncc1 ZINC000036325392 1118680710 /nfs/dbraw/zinc/68/07/10/1118680710.db2.gz UHGVPUVVJTYREU-AWEZNQCLSA-N 0 1 270.376 3.720 20 0 CHADMN Cc1ccc(NC(=O)CN2C[C@@H](C)CC[C@H]2C)cc1Cl ZINC001167482285 1118690392 /nfs/dbraw/zinc/69/03/92/1118690392.db2.gz IHMAIIYPRFBFEL-WCQYABFASA-N 0 1 294.826 3.707 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@@H](c3ccccc3C)C2)s1 ZINC000283711464 1118700406 /nfs/dbraw/zinc/70/04/06/1118700406.db2.gz ZMAUIOBEEQTNRP-GXTWGEPZSA-N 0 1 287.432 3.705 20 0 CHADMN Cc1cc(CN2CCCC[C@H]2c2ccccc2)ncn1 ZINC000293120178 1118714293 /nfs/dbraw/zinc/71/42/93/1118714293.db2.gz KJQUEEXJZXVFKG-KRWDZBQOSA-N 0 1 267.376 3.512 20 0 CHADMN C[C@@H]1COc2ccccc2CN1Cc1ccsc1 ZINC000341502824 1118717003 /nfs/dbraw/zinc/71/70/03/1118717003.db2.gz OSXDNKYVQCUHDJ-GFCCVEGCSA-N 0 1 259.374 3.531 20 0 CHADMN c1cn2cc(CN3CCC[C@@H]3c3ccsc3)sc2n1 ZINC000891619032 1118722461 /nfs/dbraw/zinc/72/24/61/1118722461.db2.gz ZYSOWQFLVVGQND-CYBMUJFWSA-N 0 1 289.429 3.794 20 0 CHADMN c1ccc([C@@H]2CCCN2Cc2nccc3c2CCCC3)nc1 ZINC000891629156 1118725499 /nfs/dbraw/zinc/72/54/99/1118725499.db2.gz BYAHGOYXBXMODM-IBGZPJMESA-N 0 1 293.414 3.693 20 0 CHADMN CCCN(CCC)Cc1c(F)c(F)ccc1OC ZINC001143404882 1118740195 /nfs/dbraw/zinc/74/01/95/1118740195.db2.gz RQVGVFVZRXKUPN-UHFFFAOYSA-N 0 1 257.324 3.595 20 0 CHADMN CN(CCCOc1ccccc1)Cc1ccnn1C1CCC1 ZINC000891706026 1118747657 /nfs/dbraw/zinc/74/76/57/1118747657.db2.gz XTODWBUHEZBJIJ-UHFFFAOYSA-N 0 1 299.418 3.509 20 0 CHADMN Cc1nc(-c2ccc([C@@H](C)NCCF)cc2)cs1 ZINC000341591070 1118748737 /nfs/dbraw/zinc/74/87/37/1118748737.db2.gz FOERUVQRHRUFKC-SNVBAGLBSA-N 0 1 264.369 3.739 20 0 CHADMN Cc1ccnc(N[C@H](C)c2ccccn2)c1C1CC1 ZINC000668513935 1118753374 /nfs/dbraw/zinc/75/33/74/1118753374.db2.gz ZRVLBHYQAIEZRN-GFCCVEGCSA-N 0 1 253.349 3.836 20 0 CHADMN CC(C)N(Cc1ccccn1)Cc1nccc2c1CCCC2 ZINC000891744188 1118755973 /nfs/dbraw/zinc/75/59/73/1118755973.db2.gz OBXQNMUHZWXAIM-UHFFFAOYSA-N 0 1 295.430 3.766 20 0 CHADMN CN(Cc1nc2cccnc2s1)[C@@H]1CCc2ccccc21 ZINC000341610686 1118758193 /nfs/dbraw/zinc/75/81/93/1118758193.db2.gz FWMVSLBXXZKUTN-OAHLLOKOSA-N 0 1 295.411 3.811 20 0 CHADMN Cc1cc([C@@H](C)NCc2c(C)nn(C)c2Cl)c(C)s1 ZINC000131523467 1118761345 /nfs/dbraw/zinc/76/13/45/1118761345.db2.gz CUGCOZGSOHRIGT-SECBINFHSA-N 0 1 297.855 3.911 20 0 CHADMN COc1cc(C[N@H+]2CCCC(C)(C)C2)cc(Cl)c1OC ZINC000510537577 1118767056 /nfs/dbraw/zinc/76/70/56/1118767056.db2.gz IXOHWBJSPFIKQL-UHFFFAOYSA-N 0 1 297.826 3.979 20 0 CHADMN COc1cc(CN2CCCC(C)(C)C2)cc(Cl)c1OC ZINC000510537577 1118767059 /nfs/dbraw/zinc/76/70/59/1118767059.db2.gz IXOHWBJSPFIKQL-UHFFFAOYSA-N 0 1 297.826 3.979 20 0 CHADMN CC[C@@H]1CN([C@@H]2CCCc3ccc(F)cc32)C[C@H](C)O1 ZINC000510551198 1118768736 /nfs/dbraw/zinc/76/87/36/1118768736.db2.gz RJZOEMFOPGVGKW-XGWLTEMNSA-N 0 1 277.383 3.702 20 0 CHADMN CC[N@@H+](Cc1nc(-c2ccc(C)cc2)no1)[C@@H](C)C(C)C ZINC000520060184 1118778168 /nfs/dbraw/zinc/77/81/68/1118778168.db2.gz QAHDKYAYDMSNTQ-AWEZNQCLSA-N 0 1 287.407 3.911 20 0 CHADMN COc1ccc2ccccc2c1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000430865356 1118779896 /nfs/dbraw/zinc/77/98/96/1118779896.db2.gz NPCMTGKQROJJAS-MJGOQNOKSA-N 0 1 297.398 3.602 20 0 CHADMN COc1ccc2ccccc2c1CN1CCO[C@H]2CCC[C@H]21 ZINC000430865356 1118779897 /nfs/dbraw/zinc/77/98/97/1118779897.db2.gz NPCMTGKQROJJAS-MJGOQNOKSA-N 0 1 297.398 3.602 20 0 CHADMN CCn1ccnc1[C@H]1CCCC[N@H+]1C[C@H]1CC=CCC1 ZINC000430870610 1118780425 /nfs/dbraw/zinc/78/04/25/1118780425.db2.gz VFWIZTWZDIQDBY-JKSUJKDBSA-N 0 1 273.424 3.786 20 0 CHADMN CC(C)C[C@@H](C)C[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000510642139 1118780708 /nfs/dbraw/zinc/78/07/08/1118780708.db2.gz ZECYZUDDLFCZAN-GFCCVEGCSA-N 0 1 293.436 3.912 20 0 CHADMN CC(C)C[C@@H](C)CN(C)Cc1nc(-c2cccs2)no1 ZINC000510642139 1118780710 /nfs/dbraw/zinc/78/07/10/1118780710.db2.gz ZECYZUDDLFCZAN-GFCCVEGCSA-N 0 1 293.436 3.912 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](Cc1ccc(O)c(F)c1)C1CC1 ZINC000891800802 1118781182 /nfs/dbraw/zinc/78/11/82/1118781182.db2.gz GLOFDJUEURTKRI-NSHDSACASA-N 0 1 275.323 3.850 20 0 CHADMN C[C@@H](c1ccco1)N(Cc1ccc(O)c(F)c1)C1CC1 ZINC000891800802 1118781185 /nfs/dbraw/zinc/78/11/85/1118781185.db2.gz GLOFDJUEURTKRI-NSHDSACASA-N 0 1 275.323 3.850 20 0 CHADMN CC(C)(C)c1coc(CN2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000891804163 1118784276 /nfs/dbraw/zinc/78/42/76/1118784276.db2.gz OPIATCORASNXIR-STQMWFEESA-N 0 1 262.397 3.737 20 0 CHADMN Cc1cccc(CN2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000510674379 1118785805 /nfs/dbraw/zinc/78/58/05/1118785805.db2.gz IALNMXDJQHGBRC-FQEVSTJZSA-N 0 1 293.410 3.669 20 0 CHADMN COCc1ccc([C@@H]2CCCN2C/C=C/c2ccncc2)o1 ZINC000426144955 1118787565 /nfs/dbraw/zinc/78/75/65/1118787565.db2.gz XEXOKKVBYSYWRF-WVMJFEGXSA-N 0 1 298.386 3.671 20 0 CHADMN c1ccc(CSCCCN2CCOCC23CCC3)cc1 ZINC000341676033 1118793180 /nfs/dbraw/zinc/79/31/80/1118793180.db2.gz RBTJMZHFCULWOR-UHFFFAOYSA-N 0 1 291.460 3.565 20 0 CHADMN CC[C@H](N[C@@H]1CCC[C@@H](CCCC(=O)OC)C1)C(F)F ZINC000449361119 1118795215 /nfs/dbraw/zinc/79/52/15/1118795215.db2.gz KOEJETJQFSCDRV-XQQFMLRXSA-N 0 1 291.382 3.522 20 0 CHADMN Cc1cnc(CN[C@H]2c3ccccc3CC[C@@H]2C)s1 ZINC000341695202 1118799469 /nfs/dbraw/zinc/79/94/69/1118799469.db2.gz JWYINZZEXBMWMX-MEDUHNTESA-N 0 1 272.417 3.865 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H](C)c1nccn1C)C1CC1 ZINC000341699109 1118800881 /nfs/dbraw/zinc/80/08/81/1118800881.db2.gz QUVODTGMGPLIHH-XJKSGUPXSA-N 0 1 269.392 3.530 20 0 CHADMN CC(C)(C)c1nc(CSC2CCCCC2)n[nH]1 ZINC000430988107 1118806056 /nfs/dbraw/zinc/80/60/56/1118806056.db2.gz KEVHCUJNIYMKLY-UHFFFAOYSA-N 0 1 253.415 3.668 20 0 CHADMN CC[C@@](C)(NCc1cc(OC)ccn1)c1ccc(F)cc1 ZINC000639927274 1118807410 /nfs/dbraw/zinc/80/74/10/1118807410.db2.gz FEXLCIMCEXJYIK-QGZVFWFLSA-N 0 1 288.366 3.644 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@H](C)c1cccc(F)c1F ZINC000090963441 1118819656 /nfs/dbraw/zinc/81/96/56/1118819656.db2.gz XHZCUHKRPJMPOI-HTQZYQBOSA-N 0 1 267.241 3.956 20 0 CHADMN CCN(Cc1ccccc1OC)[C@H](C)c1cccc(O)c1 ZINC000091975235 1118820306 /nfs/dbraw/zinc/82/03/06/1118820306.db2.gz KYSQLRDDDCUGPM-CQSZACIVSA-N 0 1 285.387 3.984 20 0 CHADMN Cc1cc(Cl)ccc1CN[C@@H](CO)c1ccsc1 ZINC000349604116 1118822750 /nfs/dbraw/zinc/82/27/50/1118822750.db2.gz YOKWUBFUKOWSHO-AWEZNQCLSA-N 0 1 281.808 3.533 20 0 CHADMN Cn1cc(Cl)cc1C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000180709779 1128803678 /nfs/dbraw/zinc/80/36/78/1128803678.db2.gz HRLLBKKSFQJHSN-UHFFFAOYSA-N 0 1 299.201 3.670 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1ccccc1Cl ZINC000132469516 1118850358 /nfs/dbraw/zinc/85/03/58/1118850358.db2.gz HIYZKNVVOCJDAH-MRVPVSSYSA-N 0 1 251.679 3.771 20 0 CHADMN COc1ccc2oc(CN(C)CCC(F)(F)F)cc2c1 ZINC000092479948 1118851780 /nfs/dbraw/zinc/85/17/80/1118851780.db2.gz OZNPQDXRFWWDIH-UHFFFAOYSA-N 0 1 287.281 3.826 20 0 CHADMN CCc1nc(CNc2cc[nH+]c3c([O-])cccc23)cs1 ZINC000684571530 1118853882 /nfs/dbraw/zinc/85/38/82/1118853882.db2.gz BAZFODYEJPPMIG-UHFFFAOYSA-N 0 1 285.372 3.571 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(CCC(C)C)C2CC2)[nH]1 ZINC000283430983 1118859136 /nfs/dbraw/zinc/85/91/36/1118859136.db2.gz JHXFGOZSMUVDBV-UHFFFAOYSA-N 0 1 285.391 3.522 20 0 CHADMN COc1ccc(CNc2cc[nH+]c3c([O-])cccc23)c(F)c1 ZINC000684577126 1118863258 /nfs/dbraw/zinc/86/32/58/1118863258.db2.gz XKEQTUVVIGVBQB-UHFFFAOYSA-N 0 1 298.317 3.700 20 0 CHADMN C[C@H](CCc1c(F)cccc1F)N[C@H](C)c1ccon1 ZINC000510929607 1118865157 /nfs/dbraw/zinc/86/51/57/1118865157.db2.gz MVJVPKDXNLPIDE-GHMZBOCLSA-N 0 1 280.318 3.625 20 0 CHADMN COc1ccc(CNc2cc[nH+]c3c([O-])cccc23)c(C)c1 ZINC000684578810 1118865645 /nfs/dbraw/zinc/86/56/45/1118865645.db2.gz TXJDNTPMIJLSCB-UHFFFAOYSA-N 0 1 294.354 3.870 20 0 CHADMN C[C@]1(CNc2cc[nH+]c3c([O-])cccc23)CCO[C@@H]1C1CC1 ZINC000684583157 1118872084 /nfs/dbraw/zinc/87/20/84/1118872084.db2.gz SZZYXNVXWHSMPJ-QZTJIDSGSA-N 0 1 298.386 3.558 20 0 CHADMN C[C@@H]1CCC[C@H](CN2CC(C)(C)[C@@H]2c2nccn2C)C1 ZINC000449415491 1118875715 /nfs/dbraw/zinc/87/57/15/1118875715.db2.gz PFKVNYXJEHMWHH-ILXRZTDVSA-N 0 1 275.440 3.629 20 0 CHADMN C[C@@H]1CCCC[C@@H]1CN1CC(C)(C)[C@H]1c1nccn1C ZINC000449413799 1118876194 /nfs/dbraw/zinc/87/61/94/1118876194.db2.gz KFVCIPLPSCMMAM-RBSFLKMASA-N 0 1 275.440 3.629 20 0 CHADMN C[C@@H](NC1CCC(C(=O)OC(C)(C)C)CC1)C(C)(F)F ZINC000449416107 1118876637 /nfs/dbraw/zinc/87/66/37/1118876637.db2.gz RZAPPNYFZGOJKD-VOMCLLRMSA-N 0 1 291.382 3.520 20 0 CHADMN C[C@H](NC1CCC(C(=O)OC(C)(C)C)CC1)C(C)(F)F ZINC000449416106 1118876965 /nfs/dbraw/zinc/87/69/65/1118876965.db2.gz RZAPPNYFZGOJKD-UNXYVOJBSA-N 0 1 291.382 3.520 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccccn2)ccc1F ZINC000535785430 1118886524 /nfs/dbraw/zinc/88/65/24/1118886524.db2.gz JEAPXZHEPNRMHQ-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cc(Br)cc2[nH]c(-c3ccncc3)nc21 ZINC000129728017 1118890582 /nfs/dbraw/zinc/89/05/82/1118890582.db2.gz VENCNLOBYJAYNZ-UHFFFAOYSA-N 0 1 288.148 3.696 20 0 CHADMN Cc1cnc(CN[C@@H](C)Cc2ccccc2C(F)(F)F)o1 ZINC000684612435 1118900788 /nfs/dbraw/zinc/90/07/88/1118900788.db2.gz GDWJHBPBLRIQKK-JTQLQIEISA-N 0 1 298.308 3.723 20 0 CHADMN CN(Cc1cnc[nH]1)C(c1ccccc1)c1ccccc1 ZINC000684616139 1118905530 /nfs/dbraw/zinc/90/55/30/1118905530.db2.gz FGOPZHCNNCVRJZ-UHFFFAOYSA-N 0 1 277.371 3.631 20 0 CHADMN CN(C)Cc1cccc(Nc2cnc(Cl)c(F)c2)c1F ZINC001216228205 1118912178 /nfs/dbraw/zinc/91/21/78/1118912178.db2.gz VVMLWPVFMVDGQH-UHFFFAOYSA-N 0 1 297.736 3.818 20 0 CHADMN COCc1ccc(Nc2cccc(CN(C)C)c2F)cc1 ZINC001216233143 1118914541 /nfs/dbraw/zinc/91/45/41/1118914541.db2.gz WGYGQODCJQLPDY-UHFFFAOYSA-N 0 1 288.366 3.777 20 0 CHADMN CCc1nc([C@@H](C)Sc2ccccc2Cl)n[nH]1 ZINC000657227894 1118926550 /nfs/dbraw/zinc/92/65/50/1118926550.db2.gz LRNMGDKEYSUUEK-MRVPVSSYSA-N 0 1 267.785 3.874 20 0 CHADMN CCc1nnc(SCC[C@H]2CCc3ccccc32)[nH]1 ZINC000657239025 1118928151 /nfs/dbraw/zinc/92/81/51/1118928151.db2.gz AYWINSHBHFZNNN-GFCCVEGCSA-N 0 1 273.405 3.579 20 0 CHADMN CCc1n[nH]c(SCC[C@H]2CCc3ccccc32)n1 ZINC000657239025 1118928154 /nfs/dbraw/zinc/92/81/54/1118928154.db2.gz AYWINSHBHFZNNN-GFCCVEGCSA-N 0 1 273.405 3.579 20 0 CHADMN Cc1cccc(CN(Cc2ccccc2)C[C@H]2CCCO2)n1 ZINC000013993299 1118928849 /nfs/dbraw/zinc/92/88/49/1118928849.db2.gz NVURXZLHQZKVFY-LJQANCHMSA-N 0 1 296.414 3.571 20 0 CHADMN CCC(CC)CSc1nc(-c2ccccc2O)n[nH]1 ZINC000657239313 1118929512 /nfs/dbraw/zinc/92/95/12/1118929512.db2.gz KNXQDYRXSIAHHU-UHFFFAOYSA-N 0 1 277.393 3.706 20 0 CHADMN CCc1nc([C@H](C)Sc2ccnc3ccccc32)n[nH]1 ZINC000657246165 1118932908 /nfs/dbraw/zinc/93/29/08/1118932908.db2.gz BFENAVNWHHKHQP-JTQLQIEISA-N 0 1 284.388 3.769 20 0 CHADMN COC1(CN[C@@H]2CCCc3oc(C)nc32)CCC(C)CC1 ZINC000926335838 1118939746 /nfs/dbraw/zinc/93/97/46/1118939746.db2.gz UWSBCEDPOKCJHD-KDJCLPLCSA-N 0 1 292.423 3.545 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc3c(c2)OCCCO3)o1 ZINC000047892512 1118941997 /nfs/dbraw/zinc/94/19/97/1118941997.db2.gz QOGAHSNGZUDPFP-ZDUSSCGKSA-N 0 1 287.359 3.600 20 0 CHADMN COc1ccccc1C1(NCc2cc3ccccc3[nH]2)CC1 ZINC000647232957 1118942493 /nfs/dbraw/zinc/94/24/93/1118942493.db2.gz KMJVOJVJQCGPDK-UHFFFAOYSA-N 0 1 292.382 3.955 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccc(F)cc1OC(C)C ZINC001212290205 1128815252 /nfs/dbraw/zinc/81/52/52/1128815252.db2.gz OPTOHMJFZYPRRV-UHFFFAOYSA-N 0 1 299.349 3.842 20 0 CHADMN CC[C@@H]1C[C@H](NCc2ccc(Cl)cc2Cl)CO1 ZINC000657286386 1118956858 /nfs/dbraw/zinc/95/68/58/1118956858.db2.gz MRNVHRZTDQKWLK-NWDGAFQWSA-N 0 1 274.191 3.651 20 0 CHADMN C[C@@H](NCc1ccc(Cl)c(F)c1)c1cncs1 ZINC000934195496 1118962597 /nfs/dbraw/zinc/96/25/97/1118962597.db2.gz PAZQEOHCBVXBAL-MRVPVSSYSA-N 0 1 270.760 3.786 20 0 CHADMN Cc1cc(Cl)ccc1CN[C@H](C)c1cncs1 ZINC000934196731 1118963496 /nfs/dbraw/zinc/96/34/96/1118963496.db2.gz XHVBJCQKINYMOF-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1cc(F)ncc1CN1CCC[C@H](Nc2ccccc2)C1 ZINC000892121687 1118975569 /nfs/dbraw/zinc/97/55/69/1118975569.db2.gz VVTBVWWFJIMZSH-KRWDZBQOSA-N 0 1 299.393 3.606 20 0 CHADMN C[C@@H](NCc1ncc[nH]1)c1ccc(F)c2ccccc21 ZINC000342328855 1118978640 /nfs/dbraw/zinc/97/86/40/1118978640.db2.gz YERJSOSNGZKXJN-LLVKDONJSA-N 0 1 269.323 3.553 20 0 CHADMN CCCC[C@H]1CCC[C@H]1NCc1nnc(C(C)(C)C)o1 ZINC000755053689 1118981171 /nfs/dbraw/zinc/98/11/71/1118981171.db2.gz CMWGPCXFGFZQPM-QWHCGFSZSA-N 0 1 279.428 3.816 20 0 CHADMN CCCN(Cc1cnc(C)o1)Cc1ccc(C)cc1 ZINC000628120957 1128814013 /nfs/dbraw/zinc/81/40/13/1128814013.db2.gz LMGJVTXDLBYMOH-UHFFFAOYSA-N 0 1 258.365 3.704 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1cnn2c1CCC2 ZINC000657318241 1118995498 /nfs/dbraw/zinc/99/54/98/1118995498.db2.gz OAWHLNKJMPZHOI-OAHLLOKOSA-N 0 1 299.418 3.534 20 0 CHADMN CC(C)(C)C[C@H]1CCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000582067728 1118998493 /nfs/dbraw/zinc/99/84/93/1118998493.db2.gz GBQWWLCYXWZYIH-CQSZACIVSA-N 0 1 275.392 3.785 20 0 CHADMN c1cc2cc(CN3CCO[C@H](c4ccccc4)C3)ccc2[nH]1 ZINC000628129386 1128814614 /nfs/dbraw/zinc/81/46/14/1128814614.db2.gz YZLLXAIHKFZEIO-IBGZPJMESA-N 0 1 292.382 3.741 20 0 CHADMN CSCCCCCCNCc1nc(C(C)(C)C)co1 ZINC000724438288 1119007451 /nfs/dbraw/zinc/00/74/51/1119007451.db2.gz NKIRPDMADWFLHU-UHFFFAOYSA-N 0 1 284.469 3.985 20 0 CHADMN COc1cncc(CN[C@H](c2ncccc2C)C(C)(C)C)c1 ZINC000934290217 1119010131 /nfs/dbraw/zinc/01/01/31/1119010131.db2.gz YVMMDPWPNDMOFA-QGZVFWFLSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1c[nH]c(CNC2(c3cccc(C)c3)CCCC2)n1 ZINC000657345258 1119014852 /nfs/dbraw/zinc/01/48/52/1119014852.db2.gz LWMJAGXQUOEPGN-UHFFFAOYSA-N 0 1 269.392 3.586 20 0 CHADMN C[C@H]1CSCCCN1Cc1ncc(-c2ccccc2)o1 ZINC000934303460 1119015617 /nfs/dbraw/zinc/01/56/17/1119015617.db2.gz DJVWCHKNIGJGBS-ZDUSSCGKSA-N 0 1 288.416 3.669 20 0 CHADMN CC1(C)C[C@@H](NCc2c(Cl)oc3ccccc32)CO1 ZINC000396600416 1119015827 /nfs/dbraw/zinc/01/58/27/1119015827.db2.gz PMLPJUJTMUOLOD-SNVBAGLBSA-N 0 1 279.767 3.743 20 0 CHADMN CCc1cccc2cc(CNCc3cccc(CO)c3)oc21 ZINC000657350268 1119019535 /nfs/dbraw/zinc/01/95/35/1119019535.db2.gz SHXLJJGIBJKZMD-UHFFFAOYSA-N 0 1 295.382 3.777 20 0 CHADMN Cc1ccc([C@H](C)CN(C)Cc2nccn2C(F)F)cc1 ZINC000628136749 1128816409 /nfs/dbraw/zinc/81/64/09/1128816409.db2.gz MDJJXQHRMYZJOQ-CYBMUJFWSA-N 0 1 293.361 3.822 20 0 CHADMN Cc1c[nH]c(CN[C@H](CC(C)C)c2ccccc2C)n1 ZINC000657358910 1119025186 /nfs/dbraw/zinc/02/51/86/1119025186.db2.gz HOMOEUDKOHWPLS-MRXNPFEDSA-N 0 1 271.408 3.904 20 0 CHADMN CC(C)c1nc(CN[C@H]2CCCC[C@@H]2C(C)(C)C)no1 ZINC000108366973 1119025380 /nfs/dbraw/zinc/02/53/80/1119025380.db2.gz WOZOFLBFOIMQEU-STQMWFEESA-N 0 1 279.428 3.888 20 0 CHADMN Cn1ncc(C2CCC2)c1CNCc1coc2ccccc12 ZINC000657360903 1119026935 /nfs/dbraw/zinc/02/69/35/1119026935.db2.gz CDYBVRVXVYJIBT-UHFFFAOYSA-N 0 1 295.386 3.724 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2cccc(Cl)c2)s1 ZINC000037505307 1119027196 /nfs/dbraw/zinc/02/71/96/1119027196.db2.gz BYYXWHRAWPUYOD-VIFPVBQESA-N 0 1 266.797 3.956 20 0 CHADMN CC1(C)CCC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000381513158 1119033541 /nfs/dbraw/zinc/03/35/41/1119033541.db2.gz LFOZUKOINDMKOW-UHFFFAOYSA-N 0 1 281.783 3.660 20 0 CHADMN CC[C@@H](NCc1cc2ccncc2s1)c1nccs1 ZINC000657371967 1119037971 /nfs/dbraw/zinc/03/79/71/1119037971.db2.gz ZLMOMXKQSYKOBO-GFCCVEGCSA-N 0 1 289.429 3.994 20 0 CHADMN Cc1nc(CNCc2cc3ccncc3s2)sc1C ZINC000657382559 1119043813 /nfs/dbraw/zinc/04/38/13/1119043813.db2.gz FSADYQYOIDRTFL-UHFFFAOYSA-N 0 1 289.429 3.659 20 0 CHADMN CC[C@@H](NCc1cccc(C)n1)c1ccc2c(c1)CCO2 ZINC000051575474 1119048420 /nfs/dbraw/zinc/04/84/20/1119048420.db2.gz GIXROMWYQJIPPO-QGZVFWFLSA-N 0 1 282.387 3.566 20 0 CHADMN CCn1cc([C@H](C)N[C@H]2CCSc3ccccc32)cn1 ZINC000044498087 1119057135 /nfs/dbraw/zinc/05/71/35/1119057135.db2.gz BZBWIWXMBKTGIQ-WFASDCNBSA-N 0 1 287.432 3.791 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@@H+](C)Cc1c2ccccc2oc1CC ZINC000582366082 1119059921 /nfs/dbraw/zinc/05/99/21/1119059921.db2.gz YZFYRYQGGNFDMH-CQSZACIVSA-N 0 1 289.375 3.680 20 0 CHADMN Cc1nocc1CSc1n[nH]c(CCC2CCCC2)n1 ZINC000582371008 1119060888 /nfs/dbraw/zinc/06/08/88/1119060888.db2.gz IKZYYVIIZFQCSX-UHFFFAOYSA-N 0 1 292.408 3.516 20 0 CHADMN Cc1nocc1CSc1nc(CCC2CCCC2)n[nH]1 ZINC000582371008 1119060891 /nfs/dbraw/zinc/06/08/91/1119060891.db2.gz IKZYYVIIZFQCSX-UHFFFAOYSA-N 0 1 292.408 3.516 20 0 CHADMN FCCC1C[C@H]2CC[C@@H](C1)N2Cc1cnc(Cl)s1 ZINC000934457612 1119074546 /nfs/dbraw/zinc/07/45/46/1119074546.db2.gz RZWMJJQQQWTJFJ-FGWVZKOKSA-N 0 1 288.819 3.899 20 0 CHADMN FCCC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cn1 ZINC000934455068 1119075041 /nfs/dbraw/zinc/07/50/41/1119075041.db2.gz JIEKEWFELLMUHV-PHTAMDTFSA-N 0 1 282.790 3.838 20 0 CHADMN Clc1ccc(C2(NCc3ncc[nH]3)CCCC2)cc1 ZINC000111216540 1119078046 /nfs/dbraw/zinc/07/80/46/1119078046.db2.gz CPWAVNMWVAKUGZ-UHFFFAOYSA-N 0 1 275.783 3.622 20 0 CHADMN COCC[C@@H](NCc1cc2c(cccc2C)[nH]1)c1ccco1 ZINC000657430626 1119083030 /nfs/dbraw/zinc/08/30/30/1119083030.db2.gz SQWVNSYZPBXSDQ-QGZVFWFLSA-N 0 1 298.386 3.937 20 0 CHADMN CN(CC[C@@H]1CCCO1)Cc1ccc(Cl)cc1Cl ZINC000342573072 1119088833 /nfs/dbraw/zinc/08/88/33/1119088833.db2.gz UIBLMJOGLJGBCQ-ZDUSSCGKSA-N 0 1 288.218 3.994 20 0 CHADMN Cc1ncsc1CN(C)Cc1ccc2[nH]ccc2c1 ZINC000628162906 1128821025 /nfs/dbraw/zinc/82/10/25/1128821025.db2.gz IUNVIVVRMGKHME-UHFFFAOYSA-N 0 1 271.389 3.565 20 0 CHADMN CC(C)COc1cccc(CN(C)Cc2ccoc2)c1 ZINC000342639633 1119109269 /nfs/dbraw/zinc/10/92/69/1119109269.db2.gz SMVWVQLQFBAPBJ-UHFFFAOYSA-N 0 1 273.376 3.946 20 0 CHADMN CCCN(CCc1cccc(F)c1)Cc1nc(C)c(C)o1 ZINC000113266664 1119109397 /nfs/dbraw/zinc/10/93/97/1119109397.db2.gz CYOJWTIKUIEDQL-UHFFFAOYSA-N 0 1 290.382 3.885 20 0 CHADMN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000640330954 1119110517 /nfs/dbraw/zinc/11/05/17/1119110517.db2.gz KSZBUTCITFNYFP-UWVGGRQHSA-N 0 1 299.365 3.634 20 0 CHADMN CCO[C@@H]1C[C@H](NCc2nc(C(C)(C)C)cs2)C1(C)C ZINC000224629262 1119114256 /nfs/dbraw/zinc/11/42/56/1119114256.db2.gz XSJYEDPSFKYRIS-WCQYABFASA-N 0 1 296.480 3.734 20 0 CHADMN COCc1csc(CN[C@@H]2c3ccccc3O[C@@H]2C)c1 ZINC000657468919 1119115584 /nfs/dbraw/zinc/11/55/84/1119115584.db2.gz PMFGEIFRNBYBBK-BZNIZROVSA-N 0 1 289.400 3.506 20 0 CHADMN CCCn1nccc1CNCc1cccc(SCC)c1 ZINC000657472073 1119116573 /nfs/dbraw/zinc/11/65/73/1119116573.db2.gz LXBSJLGGCZNEKS-UHFFFAOYSA-N 0 1 289.448 3.695 20 0 CHADMN C[C@@H]1CN(C[C@@]2(C)CCCS2)C[C@H](c2ccsc2)O1 ZINC000628185939 1128822925 /nfs/dbraw/zinc/82/29/25/1128822925.db2.gz RHFSBEWKUUIQOM-BPLDGKMQSA-N 0 1 297.489 3.796 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCc2cccc(F)c2F)on1 ZINC000342688595 1119126326 /nfs/dbraw/zinc/12/63/26/1119126326.db2.gz DARWMIYGSIENND-AWEZNQCLSA-N 0 1 292.329 3.641 20 0 CHADMN Cc1nc2ccc(Cn3cc(-c4ccccc4)cn3)cc2[nH]1 ZINC000342687251 1119127127 /nfs/dbraw/zinc/12/71/27/1119127127.db2.gz MDUCJIXDTKAHPL-UHFFFAOYSA-N 0 1 288.354 3.783 20 0 CHADMN CC(C)c1nnc(CN[C@@H](C)CCC(C)(C)C)s1 ZINC000342692132 1119127640 /nfs/dbraw/zinc/12/76/40/1119127640.db2.gz XVFLIFNLPGVTMQ-NSHDSACASA-N 0 1 269.458 3.966 20 0 CHADMN CC(C)(C)c1ncc(CNCc2ccc(C3CC3)cc2)cn1 ZINC000342706310 1119134389 /nfs/dbraw/zinc/13/43/89/1119134389.db2.gz CEBHHGUWQJELMP-UHFFFAOYSA-N 0 1 295.430 3.941 20 0 CHADMN C[C@H](c1ccccc1)N(C(=O)c1cnc(C2CC2)[nH]1)C1CC1 ZINC000342708952 1119135091 /nfs/dbraw/zinc/13/50/91/1119135091.db2.gz FJXWQULUXFFPQU-GFCCVEGCSA-N 0 1 295.386 3.653 20 0 CHADMN Fc1cccc(CN2CCCCC2)c1OCC(F)(F)F ZINC000628191248 1128824180 /nfs/dbraw/zinc/82/41/80/1128824180.db2.gz FCDKZRLWSXOHAC-UHFFFAOYSA-N 0 1 291.288 3.753 20 0 CHADMN CO[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[C@@H]1C ZINC000342729426 1119145744 /nfs/dbraw/zinc/14/57/44/1119145744.db2.gz FAVLXUHXLKDNLE-SMDDNHRTSA-N 0 1 287.325 3.562 20 0 CHADMN CCc1ccc(C2CCN(Cc3cc(C)n(C)n3)CC2)cc1 ZINC000626086281 1119150006 /nfs/dbraw/zinc/15/00/06/1119150006.db2.gz USAHMYFNNLNZIT-UHFFFAOYSA-N 0 1 297.446 3.671 20 0 CHADMN CC(C)[C@H]1CCCC[C@@H]1NCc1noc(C(C)(C)C)n1 ZINC000153035964 1119154705 /nfs/dbraw/zinc/15/47/05/1119154705.db2.gz YXHJLNCLXIQSTE-OLZOCXBDSA-N 0 1 279.428 3.672 20 0 CHADMN CC(C)[C@@H]1CCCCN1Cc1nc(-c2cccs2)no1 ZINC000117347650 1119162203 /nfs/dbraw/zinc/16/22/03/1119162203.db2.gz HXQVRWVTVAGOLS-LBPRGKRZSA-N 0 1 291.420 3.809 20 0 CHADMN CC[C@H]1CCCN(Cc2noc3c2CCCC3)CC1 ZINC000117343922 1119162516 /nfs/dbraw/zinc/16/25/16/1119162516.db2.gz HKQWWBCUNCBLFW-ZDUSSCGKSA-N 0 1 262.397 3.566 20 0 CHADMN CC(C)[C@H]1CCCCN1Cc1nc(-c2cccs2)no1 ZINC000117347653 1119162706 /nfs/dbraw/zinc/16/27/06/1119162706.db2.gz HXQVRWVTVAGOLS-GFCCVEGCSA-N 0 1 291.420 3.809 20 0 CHADMN FC(F)(F)[C@@H]1CCN(Cc2cnc3ccccc3c2)C1 ZINC000685003489 1119163933 /nfs/dbraw/zinc/16/39/33/1119163933.db2.gz CEZRHRPQHJBIBR-CYBMUJFWSA-N 0 1 280.293 3.619 20 0 CHADMN Cc1cnc(CN2CC[C@H](C)C3(CCCCC3)C2)n1C ZINC000342781891 1119164003 /nfs/dbraw/zinc/16/40/03/1119164003.db2.gz QZNQNILRNQSLSD-AWEZNQCLSA-N 0 1 275.440 3.521 20 0 CHADMN Fc1ccc(CN2CC3CC(C3)C2)cc1OC(F)(F)F ZINC001143446607 1119165445 /nfs/dbraw/zinc/16/54/45/1119165445.db2.gz FIYOIMBXVRBCFK-UHFFFAOYSA-N 0 1 289.272 3.566 20 0 CHADMN COc1cccc(F)c1CNc1nc(C)cc2cc[nH]c21 ZINC001167606961 1119179396 /nfs/dbraw/zinc/17/93/96/1119179396.db2.gz WIQXLVJJUNVCFG-UHFFFAOYSA-N 0 1 285.322 3.631 20 0 CHADMN CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000075703131 1119179587 /nfs/dbraw/zinc/17/95/87/1119179587.db2.gz NLNRTQLEIWCNPC-GFCCVEGCSA-N 0 1 282.815 3.707 20 0 CHADMN CCC[C@@H](C)N(C)CC(=O)Nc1cc(Cl)ccc1C ZINC000075703131 1119179589 /nfs/dbraw/zinc/17/95/89/1119179589.db2.gz NLNRTQLEIWCNPC-GFCCVEGCSA-N 0 1 282.815 3.707 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)N1CCC(C)(C)C1 ZINC000076015146 1119181335 /nfs/dbraw/zinc/18/13/35/1119181335.db2.gz SOEWDAKXWRTIBM-JTQLQIEISA-N 0 1 277.393 3.591 20 0 CHADMN CSc1cc(Cl)ccc1NCc1cn[nH]c1C ZINC000657556221 1119181575 /nfs/dbraw/zinc/18/15/75/1119181575.db2.gz SPINWWQLQCZQCR-UHFFFAOYSA-N 0 1 267.785 3.706 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1C[C@@H](C)[C@H](C)C1 ZINC000076111973 1119182162 /nfs/dbraw/zinc/18/21/62/1119182162.db2.gz KXKIOKZZFNBFTJ-HUUCEWRRSA-N 0 1 288.435 3.645 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(OC(C)C)cc2)nc(C)n1 ZINC000342806511 1119183500 /nfs/dbraw/zinc/18/35/00/1119183500.db2.gz RQWWTAWJBVJJNZ-AWEZNQCLSA-N 0 1 299.418 3.731 20 0 CHADMN CC[C@H](COCC1CC1)NCc1csc(C(C)(C)C)n1 ZINC000657560492 1119184847 /nfs/dbraw/zinc/18/48/47/1119184847.db2.gz IWXINTSDKBFUIG-CYBMUJFWSA-N 0 1 296.480 3.735 20 0 CHADMN CSc1c(F)cccc1NC(=O)c1cc(C(C)C)no1 ZINC000617276179 1128827469 /nfs/dbraw/zinc/82/74/69/1128827469.db2.gz YUOOXSMHZITLFN-UHFFFAOYSA-N 0 1 294.351 3.911 20 0 CHADMN Cc1cccc(CNCc2cccnc2N2CCCC2)c1C ZINC000657571016 1119190178 /nfs/dbraw/zinc/19/01/78/1119190178.db2.gz NQIUOSALSBPOEH-UHFFFAOYSA-N 0 1 295.430 3.588 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(Cl)c1O ZINC000077010672 1119190927 /nfs/dbraw/zinc/19/09/27/1119190927.db2.gz VHNYFIPJTRNSQY-MFKMUULPSA-N 0 1 297.782 3.579 20 0 CHADMN CCCCCC[N@@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000077250231 1119191099 /nfs/dbraw/zinc/19/10/99/1119191099.db2.gz PXTRZSSRKBIRIZ-AWEZNQCLSA-N 0 1 297.464 3.663 20 0 CHADMN CCCCCCN(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000077250231 1119191101 /nfs/dbraw/zinc/19/11/01/1119191101.db2.gz PXTRZSSRKBIRIZ-AWEZNQCLSA-N 0 1 297.464 3.663 20 0 CHADMN FC(F)c1ccc(CNc2ncnc3ccsc32)cc1 ZINC000342829684 1119199716 /nfs/dbraw/zinc/19/97/16/1119199716.db2.gz FJWMVMKDUFXZJH-UHFFFAOYSA-N 0 1 291.326 3.663 20 0 CHADMN Oc1cc(F)cc(CN2CCC=C(c3ccccc3)C2)c1 ZINC000342836601 1119202339 /nfs/dbraw/zinc/20/23/39/1119202339.db2.gz KHTCQMMLHJZNTC-UHFFFAOYSA-N 0 1 283.346 3.821 20 0 CHADMN CCCn1cc(CN2CCC=C(c3ccccc3)C2)cn1 ZINC000342840440 1119203971 /nfs/dbraw/zinc/20/39/71/1119203971.db2.gz RCYZNMIOBVVKQE-UHFFFAOYSA-N 0 1 281.403 3.582 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cnc3ccccc3n1)CC2 ZINC000628213353 1128829364 /nfs/dbraw/zinc/82/93/64/1128829364.db2.gz HTMMZLPTUZGERZ-KRWDZBQOSA-N 0 1 289.382 3.715 20 0 CHADMN Cc1cc(C)cc(CNCc2cccc(O)c2Cl)c1 ZINC000657625945 1119212871 /nfs/dbraw/zinc/21/28/71/1119212871.db2.gz JWGVMRYFDRHMFY-UHFFFAOYSA-N 0 1 275.779 3.952 20 0 CHADMN C[C@H](O)CC(C)(C)CNc1ccnc2cc(F)ccc21 ZINC000078339941 1119213554 /nfs/dbraw/zinc/21/35/54/1119213554.db2.gz RSDIHPZZAPBYKG-NSHDSACASA-N 0 1 276.355 3.583 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2nc3ccc(F)cc3o2)C1 ZINC000119521870 1119215744 /nfs/dbraw/zinc/21/57/44/1119215744.db2.gz WZVPYWCYFJSTKM-GHMZBOCLSA-N 0 1 262.328 3.587 20 0 CHADMN CCc1cccc(CN[C@H]2CCOc3ccc(OC)cc32)c1 ZINC000582790557 1119215927 /nfs/dbraw/zinc/21/59/27/1119215927.db2.gz UFKHILYDFXVGAT-SFHVURJKSA-N 0 1 297.398 3.871 20 0 CHADMN CC(C)(F)CCNCc1csc(C(C)(C)C)n1 ZINC000657644539 1119220370 /nfs/dbraw/zinc/22/03/70/1119220370.db2.gz NKVJBGYFMZKXPD-UHFFFAOYSA-N 0 1 258.406 3.668 20 0 CHADMN CC(C)(F)CCNCc1coc(-c2ccccc2)n1 ZINC000657645491 1119221302 /nfs/dbraw/zinc/22/13/02/1119221302.db2.gz YAMWTMKXRFBWFI-UHFFFAOYSA-N 0 1 262.328 3.569 20 0 CHADMN c1nc(C2CC2)oc1CN1CCCO[C@H](c2ccccc2)C1 ZINC000628163291 1119222282 /nfs/dbraw/zinc/22/22/82/1119222282.db2.gz WPBHALDHQOWTFM-KRWDZBQOSA-N 0 1 298.386 3.516 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000119862847 1119223838 /nfs/dbraw/zinc/22/38/38/1119223838.db2.gz DXSJQCSRSWLXDC-AWEZNQCLSA-N 0 1 287.407 3.632 20 0 CHADMN O=C(c1ccccc1)C1CCN(Cc2cccc(F)c2)CC1 ZINC000078469403 1119225145 /nfs/dbraw/zinc/22/51/45/1119225145.db2.gz CRUCZFOOBJOWNV-UHFFFAOYSA-N 0 1 297.373 3.921 20 0 CHADMN Cc1nc(CN(C)[C@@H](c2ccccc2)C(C)C)[nH]c1C ZINC000628173079 1119243953 /nfs/dbraw/zinc/24/39/53/1119243953.db2.gz HLZWELJGGQUKIN-QGZVFWFLSA-N 0 1 271.408 3.856 20 0 CHADMN COc1cc(C)cc(CN[C@H](C)c2cnc(C)s2)c1 ZINC000090724167 1119249186 /nfs/dbraw/zinc/24/91/86/1119249186.db2.gz RJZRYKBJMOANOR-LLVKDONJSA-N 0 1 276.405 3.619 20 0 CHADMN CCCN(CCCCCO)Cc1c(F)cccc1Cl ZINC000588937889 1119253322 /nfs/dbraw/zinc/25/33/22/1119253322.db2.gz HVOZARXEZCQCEL-UHFFFAOYSA-N 0 1 287.806 3.854 20 0 CHADMN CC1(C)CN(Cc2cccc3nccn32)Cc2ccccc21 ZINC000342933506 1119254290 /nfs/dbraw/zinc/25/42/90/1119254290.db2.gz OXVJCTHCJSLIHS-UHFFFAOYSA-N 0 1 291.398 3.628 20 0 CHADMN CCC1(NCc2ncc(Br)cc2Cl)CC1 ZINC000631147303 1119255861 /nfs/dbraw/zinc/25/58/61/1119255861.db2.gz LANATBZIKORYKB-UHFFFAOYSA-N 0 1 289.604 3.530 20 0 CHADMN Cc1ncc(CN2CCC[C@@H]2/C=C/c2ccccc2)o1 ZINC000628236258 1128832899 /nfs/dbraw/zinc/83/28/99/1128832899.db2.gz VJDOKHFNLXWSOV-ZNFPLGDCSA-N 0 1 268.360 3.661 20 0 CHADMN Cc1nc(CN2C[C@H](c3ccc(F)cc3)C[C@H]2C)[nH]c1C ZINC000628181303 1119260147 /nfs/dbraw/zinc/26/01/47/1119260147.db2.gz XVLFPXIGMVJHAW-IAQYHMDHSA-N 0 1 287.382 3.544 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1scnc1C1CC1)C2 ZINC000425964618 1119260490 /nfs/dbraw/zinc/26/04/90/1119260490.db2.gz DZBLCMZQZRBYER-UHFFFAOYSA-N 0 1 284.428 3.887 20 0 CHADMN Fc1cnc(Cl)cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001140610403 1119267407 /nfs/dbraw/zinc/26/74/07/1119267407.db2.gz FNMUSVZRMWILAM-GWCFXTLKSA-N 0 1 268.763 3.639 20 0 CHADMN Fc1cnc(Cl)cc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001140610403 1119267412 /nfs/dbraw/zinc/26/74/12/1119267412.db2.gz FNMUSVZRMWILAM-GWCFXTLKSA-N 0 1 268.763 3.639 20 0 CHADMN c1coc(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000121766794 1119269287 /nfs/dbraw/zinc/26/92/87/1119269287.db2.gz YDJQUABVSMTHTA-QGZVFWFLSA-N 0 1 283.371 3.772 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccc(OC)c(F)c2)o1 ZINC000122339559 1119279082 /nfs/dbraw/zinc/27/90/82/1119279082.db2.gz LVFJGYHMPYWBQB-LLVKDONJSA-N 0 1 277.339 3.841 20 0 CHADMN COC1CCN(Cc2cc(C)cc(C(F)(F)F)c2)CC1 ZINC001143448668 1119279871 /nfs/dbraw/zinc/27/98/71/1119279871.db2.gz QXMQOLBCOJDBHE-UHFFFAOYSA-N 0 1 287.325 3.625 20 0 CHADMN CC(=O)CCN1CCc2sccc2[C@@H]1c1cccs1 ZINC000153791476 1119287891 /nfs/dbraw/zinc/28/78/91/1119287891.db2.gz WSTXYWLJXBMYOF-OAHLLOKOSA-N 0 1 291.441 3.736 20 0 CHADMN Cc1ncc(CN[C@H]2CC(C)(C)Cc3occc32)s1 ZINC000123677546 1119300577 /nfs/dbraw/zinc/30/05/77/1119300577.db2.gz ALJBBXVGVFKKGA-ZDUSSCGKSA-N 0 1 276.405 3.848 20 0 CHADMN Cc1cc(F)c(CNC[C@@H]2C(C)(C)C2(F)F)c(F)c1 ZINC000657738725 1119308214 /nfs/dbraw/zinc/30/82/14/1119308214.db2.gz NJAQWLWVMUEANR-GFCCVEGCSA-N 0 1 275.289 3.654 20 0 CHADMN Cc1noc(C)c1[C@H](C)Nc1cc2c(cn1)CCCC2 ZINC000926467108 1119315964 /nfs/dbraw/zinc/31/59/64/1119315964.db2.gz MBEGANPSDCOGJV-JTQLQIEISA-N 0 1 271.364 3.738 20 0 CHADMN CC(C)Oc1ccccc1CN(C)[C@@H](CO)c1ccccc1 ZINC000343113541 1119316211 /nfs/dbraw/zinc/31/62/11/1119316211.db2.gz FYFNCQGMXCVJQD-SFHVURJKSA-N 0 1 299.414 3.639 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(-n2cccn2)c1)c1ccco1 ZINC000154859319 1119320130 /nfs/dbraw/zinc/32/01/30/1119320130.db2.gz YAHCWYWJPGIQSA-UONOGXRCSA-N 0 1 281.359 3.877 20 0 CHADMN COc1cccc([C@H](C)N[C@H](C)c2c(C)noc2C)c1 ZINC000092326766 1119326901 /nfs/dbraw/zinc/32/69/01/1119326901.db2.gz IMDOEGCEVOBGJA-WDEREUQCSA-N 0 1 274.364 3.712 20 0 CHADMN CCc1ccccc1CN[C@@H]1COCc2ccccc21 ZINC000226001811 1119354246 /nfs/dbraw/zinc/35/42/46/1119354246.db2.gz VNECNJDSQZDXOU-GOSISDBHSA-N 0 1 267.372 3.610 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nnc(C(C)(C)C)o1 ZINC000743854451 1119358760 /nfs/dbraw/zinc/35/87/60/1119358760.db2.gz XSXBGVWMPOSLBU-JHJVBQTASA-N 0 1 277.412 3.520 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1cc3n(n1)CCCC3)CC2 ZINC000647292950 1119360392 /nfs/dbraw/zinc/36/03/92/1119360392.db2.gz MXVNCULXBMPHRF-KBXCAEBGSA-N 0 1 295.430 3.866 20 0 CHADMN Cc1ncc(CN[C@@H]2CCCCc3ccccc32)o1 ZINC000335275193 1119363440 /nfs/dbraw/zinc/36/34/40/1119363440.db2.gz CRPWXEXQYHVKIV-MRXNPFEDSA-N 0 1 256.349 3.540 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)C1CCCCCC1 ZINC000583569526 1119377815 /nfs/dbraw/zinc/37/78/15/1119377815.db2.gz CRXKBPFVYRDFHL-UHFFFAOYSA-N 0 1 279.380 3.695 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2ccccc21)c1ccc(F)cn1 ZINC000147615836 1119387348 /nfs/dbraw/zinc/38/73/48/1119387348.db2.gz ZBOSJVJPOAEQMR-SJKOYZFVSA-N 0 1 270.351 3.949 20 0 CHADMN CC[C@@H]1CC[C@H](C)[N@H+]1CC[C@H](C(=O)[O-])c1ccccc1 ZINC000583635972 1119387804 /nfs/dbraw/zinc/38/78/04/1119387804.db2.gz CLWCUIKWFUDEEW-IMJJTQAJSA-N 0 1 275.392 3.508 20 0 CHADMN CCCCC[C@@H](CC)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000181199420 1128842964 /nfs/dbraw/zinc/84/29/64/1128842964.db2.gz UVPFBJUQYLEBDF-OAHLLOKOSA-N 0 1 291.439 3.688 20 0 CHADMN COc1cccc(-c2nc3ccc(F)cc3[nH]2)c1F ZINC000397445433 1119398439 /nfs/dbraw/zinc/39/84/39/1119398439.db2.gz HUGCSNNCASQKBX-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN Cc1cc(Cc2nc(-c3ccc4ccccc4c3)no2)[nH]n1 ZINC000583719708 1119399654 /nfs/dbraw/zinc/39/96/54/1119399654.db2.gz ZLVOZZVJLXYPQQ-UHFFFAOYSA-N 0 1 290.326 3.512 20 0 CHADMN CC(C)Oc1cccc(Nc2nonc2C2CC2)c1F ZINC001212319997 1128843892 /nfs/dbraw/zinc/84/38/92/1128843892.db2.gz YSARCCVBHWCONH-UHFFFAOYSA-N 0 1 277.299 3.617 20 0 CHADMN CSc1ccc2c(c1)[C@H](NCc1cnc(C)o1)CCC2 ZINC000647306549 1119406971 /nfs/dbraw/zinc/40/69/71/1119406971.db2.gz AHBKNEISIALHDJ-MRXNPFEDSA-N 0 1 288.416 3.872 20 0 CHADMN C[N@@H+](Cc1cccnc1)[C@H]1CCc2ccc(Cl)cc21 ZINC000343410918 1119412182 /nfs/dbraw/zinc/41/21/82/1119412182.db2.gz BKPLGIWYCWYWGB-INIZCTEOSA-N 0 1 272.779 3.854 20 0 CHADMN CN(Cc1cccnc1)[C@H]1CCc2ccc(Cl)cc21 ZINC000343410918 1119412184 /nfs/dbraw/zinc/41/21/84/1119412184.db2.gz BKPLGIWYCWYWGB-INIZCTEOSA-N 0 1 272.779 3.854 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1CCCc2c(C)cccc21 ZINC000657796335 1119415245 /nfs/dbraw/zinc/41/52/45/1119415245.db2.gz FNKSITPBJCKKJX-QGZVFWFLSA-N 0 1 270.376 3.767 20 0 CHADMN CN(Cc1ncc(-c2cccs2)o1)C(C)(C)C ZINC000583810365 1119417123 /nfs/dbraw/zinc/41/71/23/1119417123.db2.gz JWYKUISKXUFMMV-UHFFFAOYSA-N 0 1 250.367 3.633 20 0 CHADMN CCCn1cc(CN(C)[C@@H](C)c2ccc(C)cc2)cn1 ZINC000130805242 1119420151 /nfs/dbraw/zinc/42/01/51/1119420151.db2.gz XBTGHPOBLVYOQL-HNNXBMFYSA-N 0 1 271.408 3.795 20 0 CHADMN FC(F)(F)C[C@@H](NCc1cc[nH]c1)c1ccccc1 ZINC000343441690 1119421941 /nfs/dbraw/zinc/42/19/41/1119421941.db2.gz GRLKVGKMSMSLIJ-CYBMUJFWSA-N 0 1 268.282 3.798 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC(c3ccccc3F)CC2)cn1 ZINC000583848605 1119423243 /nfs/dbraw/zinc/42/32/43/1119423243.db2.gz BVGJUECPCNBCBW-CQSZACIVSA-N 0 1 299.393 3.865 20 0 CHADMN C[C@@H]1CN(Cc2ccc(F)c3cccnc23)CCC1(F)F ZINC000583900613 1119431178 /nfs/dbraw/zinc/43/11/78/1119431178.db2.gz MVTGQKPVRHJCGI-LLVKDONJSA-N 0 1 294.320 3.851 20 0 CHADMN Cc1ccc(-c2cc(-c3nc([C@H]4C[C@@H]4C)no3)[nH]n2)cc1C ZINC000583897998 1119431397 /nfs/dbraw/zinc/43/13/97/1119431397.db2.gz WTTNFFVXGLWJIV-AAEUAGOBSA-N 0 1 294.358 3.867 20 0 CHADMN COc1cccc(CNCc2cc(F)ccc2F)c1C ZINC000657804028 1119431769 /nfs/dbraw/zinc/43/17/69/1119431769.db2.gz CYAUKQVRTSKTDK-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN Cc1cnc(CN2CCCC[C@H]2CCC(C)C)o1 ZINC000158130945 1119433513 /nfs/dbraw/zinc/43/35/13/1119433513.db2.gz RTXCZFUSDCNACW-AWEZNQCLSA-N 0 1 250.386 3.774 20 0 CHADMN c1cn(Cc2ccccc2)c(CN2CCCC3(CC3)CC2)n1 ZINC000626113661 1119435203 /nfs/dbraw/zinc/43/52/03/1119435203.db2.gz AVWKGFABKDAPMS-UHFFFAOYSA-N 0 1 295.430 3.698 20 0 CHADMN COC(=O)c1cc(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)cs1 ZINC000708402890 1119438678 /nfs/dbraw/zinc/43/86/78/1119438678.db2.gz XLPOGXFNQZHVQP-CYBMUJFWSA-N 0 1 295.448 3.793 20 0 CHADMN CCOc1ncccc1CN[C@@H]1C[C@H](C)c2ccccc21 ZINC000343517116 1119439512 /nfs/dbraw/zinc/43/95/12/1119439512.db2.gz RLAREBVQKMRTLJ-SUMWQHHRSA-N 0 1 282.387 3.818 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)Cc2cccnc2Cl)C1 ZINC000052709521 1119441117 /nfs/dbraw/zinc/44/11/17/1119441117.db2.gz YDUVDUXGFDIQRG-WCQYABFASA-N 0 1 252.789 3.746 20 0 CHADMN C[C@@H]1CCC[C@@H]1CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000343526739 1119443716 /nfs/dbraw/zinc/44/37/16/1119443716.db2.gz ZAQGPKVJUMTDOA-BMFZPTHFSA-N 0 1 269.392 3.525 20 0 CHADMN Cc1nc2ccc(NC(=O)C3(C(F)F)CCCC3)cc2[nH]1 ZINC000584028925 1119462900 /nfs/dbraw/zinc/46/29/00/1119462900.db2.gz GTXCPKNWDIQPCM-UHFFFAOYSA-N 0 1 293.317 3.635 20 0 CHADMN Fc1cccc(Cl)c1CC[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000566846976 1119467140 /nfs/dbraw/zinc/46/71/40/1119467140.db2.gz HNQCRBFMJNSTAK-JKSUJKDBSA-N 0 1 297.801 3.665 20 0 CHADMN CCN(C[C@@H]1CCCO1)[C@H](C)c1ccc(F)cc1F ZINC000343625945 1119474718 /nfs/dbraw/zinc/47/47/18/1119474718.db2.gz OZYOYBULOSMBTN-YPMHNXCESA-N 0 1 269.335 3.527 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2c1cnn2C)c1ccccc1F ZINC000168755274 1119475268 /nfs/dbraw/zinc/47/52/68/1119475268.db2.gz HGULJDIZTXFVMO-JKSUJKDBSA-N 0 1 287.382 3.678 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2cnc(C3CC3)[nH]2)c1 ZINC000343649005 1119479593 /nfs/dbraw/zinc/47/95/93/1119479593.db2.gz OEXYPDZKPILIGU-CYBMUJFWSA-N 0 1 297.402 3.737 20 0 CHADMN COc1cncc(CN2CCC[C@@H]2/C=C/c2ccccc2)c1 ZINC000343680787 1119485514 /nfs/dbraw/zinc/48/55/14/1119485514.db2.gz AKPOXQUFBRHYRP-QZEKMECESA-N 0 1 294.398 3.768 20 0 CHADMN COc1ccc(CN(C)CCCSC)c(Cl)c1 ZINC000343681592 1119486253 /nfs/dbraw/zinc/48/62/53/1119486253.db2.gz QOAKDHZIILDBPK-UHFFFAOYSA-N 0 1 273.829 3.534 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1cc(F)c(F)c(F)c1 ZINC000584318846 1119498669 /nfs/dbraw/zinc/49/86/69/1119498669.db2.gz DNUQJFSRKUUNFZ-KOLCDFICSA-N 0 1 257.299 3.867 20 0 CHADMN C[C@@H]1CCCC[C@H]1C[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000692440854 1119501638 /nfs/dbraw/zinc/50/16/38/1119501638.db2.gz ONIMMBHSGSMMRX-WBVHZDCISA-N 0 1 289.419 3.790 20 0 CHADMN COc1cncc(CN[C@@H](C)c2cc3ccccc3o2)c1 ZINC000343748783 1119501792 /nfs/dbraw/zinc/50/17/92/1119501792.db2.gz IOGZAFNXFGIINB-LBPRGKRZSA-N 0 1 282.343 3.687 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)N[C@H]1CCCn2nccc21 ZINC000657839349 1119502086 /nfs/dbraw/zinc/50/20/86/1119502086.db2.gz SLCKSTKBQDYXGW-ZBFHGGJFSA-N 0 1 299.418 3.856 20 0 CHADMN Cc1nc(CN2CCCC[C@@H]2CCC(C)C)[nH]c1C ZINC000628190728 1119503718 /nfs/dbraw/zinc/50/37/18/1119503718.db2.gz OCLGDDYPTMAVOI-OAHLLOKOSA-N 0 1 263.429 3.817 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000081180371 1119510212 /nfs/dbraw/zinc/51/02/12/1119510212.db2.gz JEHDMADMUIVPOS-WBMJQRKESA-N 0 1 285.391 3.604 20 0 CHADMN CC(C)c1ccc(NC(=O)C[N@H+](C(C)C)C2CC2)cc1 ZINC000219705092 1119515581 /nfs/dbraw/zinc/51/55/81/1119515581.db2.gz HVHMIOYLUHFJED-UHFFFAOYSA-N 0 1 274.408 3.621 20 0 CHADMN CC(C)c1ccc(NC(=O)CN(C(C)C)C2CC2)cc1 ZINC000219705092 1119515583 /nfs/dbraw/zinc/51/55/83/1119515583.db2.gz HVHMIOYLUHFJED-UHFFFAOYSA-N 0 1 274.408 3.621 20 0 CHADMN FCCCN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000136213298 1119519915 /nfs/dbraw/zinc/51/99/15/1119519915.db2.gz ISVMAEFDEJXLKK-GFCCVEGCSA-N 0 1 264.369 3.793 20 0 CHADMN CC[C@H]1CCC[C@H](C[NH2+]C(C)(C)c2nc(C)cc(=O)[n-]2)C1 ZINC000628375067 1128852177 /nfs/dbraw/zinc/85/21/77/1128852177.db2.gz XRYMURKQGBOVPQ-KBPBESRZSA-N 0 1 291.439 3.532 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2C[C@@H]1C)c1ccc(F)cn1 ZINC000089613918 1119539570 /nfs/dbraw/zinc/53/95/70/1119539570.db2.gz BGFKTHRNVNLDLT-PRXAMGSTSA-N 0 1 270.351 3.805 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2C[C@H]1C)c1ccc(F)cn1 ZINC000089613912 1119539652 /nfs/dbraw/zinc/53/96/52/1119539652.db2.gz BGFKTHRNVNLDLT-BWACUDIHSA-N 0 1 270.351 3.805 20 0 CHADMN Fc1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000628423032 1128857824 /nfs/dbraw/zinc/85/78/24/1128857824.db2.gz ZCDAFWGQDRPCLX-KGLIPLIRSA-N 0 1 285.815 3.949 20 0 CHADMN Cc1cc(CN2CCC[C@]3(CCO3)C2)cc(C(F)(F)F)c1 ZINC001143455346 1119540225 /nfs/dbraw/zinc/54/02/25/1119540225.db2.gz RGTXNHWHPYVDNW-HNNXBMFYSA-N 0 1 299.336 3.769 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1cccs1)CO2 ZINC000090452754 1119544437 /nfs/dbraw/zinc/54/44/37/1119544437.db2.gz QBOCBRCZLRZBSR-AAEUAGOBSA-N 0 1 259.374 3.841 20 0 CHADMN C[C@@H](NCc1ccnc(OC2CCC2)c1)c1ccsc1 ZINC000090912229 1119546852 /nfs/dbraw/zinc/54/68/52/1119546852.db2.gz ALIYGCZCKSWGDD-GFCCVEGCSA-N 0 1 288.416 3.925 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)o1 ZINC000093116226 1119569960 /nfs/dbraw/zinc/56/99/60/1119569960.db2.gz RHCYGWXFAZINHX-MRXNPFEDSA-N 0 1 259.324 3.894 20 0 CHADMN Cc1cnc(CCN(C)Cc2cccc(F)c2Cl)s1 ZINC000093208802 1119570536 /nfs/dbraw/zinc/57/05/36/1119570536.db2.gz HRDHPJZQWSGUQU-UHFFFAOYSA-N 0 1 298.814 3.919 20 0 CHADMN Cc1ccc(O)c(CN(C)Cc2ccc(Cl)c(F)c2)n1 ZINC000093819205 1119572403 /nfs/dbraw/zinc/57/24/03/1119572403.db2.gz YVQVQMSFPAUGDW-UHFFFAOYSA-N 0 1 294.757 3.520 20 0 CHADMN COc1cc(F)cc(CNCc2cccc(Cl)c2)c1 ZINC000093970670 1119573861 /nfs/dbraw/zinc/57/38/61/1119573861.db2.gz QBVBPELREIOOGR-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN CC(C)[C@H](c1ccccc1Cl)N(C)Cc1cnc[nH]1 ZINC000093422427 1119574746 /nfs/dbraw/zinc/57/47/46/1119574746.db2.gz KURIDHRGUHCRDJ-OAHLLOKOSA-N 0 1 277.799 3.892 20 0 CHADMN CC1(C)CCN1C(=O)c1cc(Cl)c2ccccc2c1O ZINC000094167367 1119575775 /nfs/dbraw/zinc/57/57/75/1119575775.db2.gz CGWHMNMWXADTAK-UHFFFAOYSA-N 0 1 289.762 3.823 20 0 CHADMN Cc1cc(C)cc(NC(=O)[C@H](C)N2CCC3(CC3)CC2)c1 ZINC000677717352 1119583148 /nfs/dbraw/zinc/58/31/48/1119583148.db2.gz IOJLRSMHEILWLI-HNNXBMFYSA-N 0 1 286.419 3.506 20 0 CHADMN C[C@@H]1CCCN(Cc2cccnc2OCc2ccccc2)C1 ZINC001238772101 1131243298 /nfs/dbraw/zinc/24/32/98/1131243298.db2.gz NIOTWRXTQGEJMO-MRXNPFEDSA-N 0 1 296.414 3.893 20 0 CHADMN COC(=O)c1ccc(CNCc2cc3ccccc3o2)cc1 ZINC000135103117 1119590083 /nfs/dbraw/zinc/59/00/83/1119590083.db2.gz YBCNYZJFGKSVMQ-UHFFFAOYSA-N 0 1 295.338 3.509 20 0 CHADMN CC(C)[C@@H](NCc1cc[nH]n1)c1ccc2c(c1)CCCC2 ZINC000657882208 1119591765 /nfs/dbraw/zinc/59/17/65/1119591765.db2.gz QGPAJEPNIWZMML-GOSISDBHSA-N 0 1 283.419 3.775 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC2(CCOC2)CC1 ZINC000677718864 1119592797 /nfs/dbraw/zinc/59/27/97/1119592797.db2.gz LBEKMCGUYKJCGN-LBPRGKRZSA-N 0 1 281.346 3.528 20 0 CHADMN CCc1cc(CN[C@H](C)c2cc3ccncc3s2)on1 ZINC000657886293 1119595580 /nfs/dbraw/zinc/59/55/80/1119595580.db2.gz IZMJVUKUFYHIDU-SNVBAGLBSA-N 0 1 287.388 3.698 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1Cc1ncccc1[O-] ZINC000685431149 1119606311 /nfs/dbraw/zinc/60/63/11/1119606311.db2.gz GIWRYYCLGOJRBM-ZBFHGGJFSA-N 0 1 282.387 3.555 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1ncccc1[O-] ZINC000685431149 1119606313 /nfs/dbraw/zinc/60/63/13/1119606313.db2.gz GIWRYYCLGOJRBM-ZBFHGGJFSA-N 0 1 282.387 3.555 20 0 CHADMN Fc1cccc(N2CCCC2)c1CN1CC(C2CCC2)C1 ZINC000685438906 1119608480 /nfs/dbraw/zinc/60/84/80/1119608480.db2.gz WYHLQXIFOCULSX-UHFFFAOYSA-N 0 1 288.410 3.658 20 0 CHADMN CCCCN(CC(=O)Nc1cc(C)ccc1C)C1CC1 ZINC000046602741 1119619936 /nfs/dbraw/zinc/61/99/36/1119619936.db2.gz NCULFMDDVOXNSW-UHFFFAOYSA-N 0 1 274.408 3.506 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000142120054 1119623901 /nfs/dbraw/zinc/62/39/01/1119623901.db2.gz OIYNSSUUAAZAOD-IAGOWNOFSA-N 0 1 289.419 3.585 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000142119826 1119623860 /nfs/dbraw/zinc/62/38/60/1119623860.db2.gz OIYNSSUUAAZAOD-SJORKVTESA-N 0 1 289.419 3.585 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2cnn(C)c2C)cs1 ZINC000294263558 1119625879 /nfs/dbraw/zinc/62/58/79/1119625879.db2.gz RCTQPPWKQPHSDB-WDEREUQCSA-N 0 1 263.410 3.510 20 0 CHADMN COc1ccccc1[C@@H](CC(C)C)NCc1ccccn1 ZINC000080206359 1119629229 /nfs/dbraw/zinc/62/92/29/1119629229.db2.gz WEEBMEXHEDBARF-QGZVFWFLSA-N 0 1 284.403 3.967 20 0 CHADMN Cc1nc(C)c(CN(C)[C@H](C)c2ccccc2C)o1 ZINC000685561746 1119630367 /nfs/dbraw/zinc/63/03/67/1119630367.db2.gz DLANTVHSOBMUJD-CYBMUJFWSA-N 0 1 258.365 3.793 20 0 CHADMN Cc1nc(C)c(CN2CC=C(c3ccc(F)cc3)CC2)o1 ZINC000685560797 1119630717 /nfs/dbraw/zinc/63/07/17/1119630717.db2.gz MBUSTRSILQJMDJ-UHFFFAOYSA-N 0 1 286.350 3.720 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1oc(C)nc1C ZINC000685575890 1119634395 /nfs/dbraw/zinc/63/43/95/1119634395.db2.gz TXMVOODEPSXRAN-JLHYYAGUSA-N 0 1 270.376 3.827 20 0 CHADMN CN(CCCCC(F)(F)F)Cc1nc2ccccc2n1C ZINC000157981913 1119636401 /nfs/dbraw/zinc/63/64/01/1119636401.db2.gz QSOGXXRGDMTCFO-UHFFFAOYSA-N 0 1 299.340 3.738 20 0 CHADMN CC[C@@H](N[C@H]1CCCn2nccc21)c1cc(F)ccc1F ZINC000657920547 1119641141 /nfs/dbraw/zinc/64/11/41/1119641141.db2.gz HONSZIZUGMNFJU-CABCVRRESA-N 0 1 291.345 3.737 20 0 CHADMN CSc1ccc(CN2CC(Cc3ccco3)C2)s1 ZINC000628433345 1128860296 /nfs/dbraw/zinc/86/02/96/1128860296.db2.gz NDDUMVHKYOMVMZ-UHFFFAOYSA-N 0 1 279.430 3.738 20 0 CHADMN CC[N@@H+](Cc1cccc(NC(C)=O)c1)Cc1ccccc1C ZINC000101544388 1119656422 /nfs/dbraw/zinc/65/64/22/1119656422.db2.gz OPMRFNFZQMWQSK-UHFFFAOYSA-N 0 1 296.414 3.976 20 0 CHADMN Cn1cc(CN[C@H]2CCSc3ccccc32)c(C2CC2)n1 ZINC000892416186 1119656796 /nfs/dbraw/zinc/65/67/96/1119656796.db2.gz UKAAMPAHZBRGKE-HNNXBMFYSA-N 0 1 299.443 3.624 20 0 CHADMN C[C@H](N[C@@H](C)c1cncc(F)c1)c1ccc(C(F)F)nc1 ZINC000657970211 1119657144 /nfs/dbraw/zinc/65/71/44/1119657144.db2.gz ZGKIMJYKCRHMNX-UWVGGRQHSA-N 0 1 295.308 3.965 20 0 CHADMN CC[C@H]1CCCN(CC(=O)Nc2cccc(Cl)c2C)C1 ZINC000030141680 1119661942 /nfs/dbraw/zinc/66/19/42/1119661942.db2.gz RQRRLAIXZYSXOI-ZDUSSCGKSA-N 0 1 294.826 3.709 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(C(F)F)nc2)cc(C)n1 ZINC000658037493 1119670198 /nfs/dbraw/zinc/67/01/98/1119670198.db2.gz JGTYJMMLYCMABZ-GFCCVEGCSA-N 0 1 291.345 3.882 20 0 CHADMN COC1CC(CCN[C@H](CCc2ccccc2)C(F)F)C1 ZINC000658056806 1119676456 /nfs/dbraw/zinc/67/64/56/1119676456.db2.gz RNOBNOIABJNFSA-UYSNPLJNSA-N 0 1 297.389 3.658 20 0 CHADMN c1cc2cc(CN[C@@H]3CCCc4cccnc43)ccc2o1 ZINC000658117248 1119686468 /nfs/dbraw/zinc/68/64/68/1119686468.db2.gz RPZIATKKPDPGEK-MRXNPFEDSA-N 0 1 278.355 3.995 20 0 CHADMN COc1cccc(OC)c1CN[C@@H](c1ccccc1)C1CC1 ZINC000658118387 1119687894 /nfs/dbraw/zinc/68/78/94/1119687894.db2.gz FIZJAIOLNNDLNH-IBGZPJMESA-N 0 1 297.398 3.945 20 0 CHADMN COc1cccc(OC)c1CN[C@@H]1CCc2c1cccc2C ZINC000658120021 1119688033 /nfs/dbraw/zinc/68/80/33/1119688033.db2.gz FFRMMMUFKQVLJE-QGZVFWFLSA-N 0 1 297.398 3.789 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@@H](c1ccccc1F)C(C)C ZINC000658165432 1119695071 /nfs/dbraw/zinc/69/50/71/1119695071.db2.gz DXOJUMYBWWYHQK-SJKOYZFVSA-N 0 1 289.398 3.916 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@H](c1ccccc1F)C(C)C ZINC000658165810 1119695146 /nfs/dbraw/zinc/69/51/46/1119695146.db2.gz GZSUYFVMZQLPRU-BZNIZROVSA-N 0 1 275.371 3.905 20 0 CHADMN CC[C@H](NCc1cn(CC)nn1)c1cccc2ccccc21 ZINC000658176718 1119696790 /nfs/dbraw/zinc/69/67/90/1119696790.db2.gz OWESGUGATZHDLP-SFHVURJKSA-N 0 1 294.402 3.692 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1cc2cc(C)ccc2o1 ZINC000658203795 1119701331 /nfs/dbraw/zinc/70/13/31/1119701331.db2.gz ZYGAOIYDSGDQMR-LLVKDONJSA-N 0 1 269.348 3.624 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H]1CCc2ccc(O)cc21 ZINC000658237237 1119710176 /nfs/dbraw/zinc/71/01/76/1119710176.db2.gz DCUFFURUHJJNAV-SJCJKPOMSA-N 0 1 283.371 3.739 20 0 CHADMN Cc1ccc([C@H](C)NCc2c(C3CCC3)cnn2C)c(C)n1 ZINC000658268224 1119713777 /nfs/dbraw/zinc/71/37/77/1119713777.db2.gz LDQHPXFUUKINGA-ZDUSSCGKSA-N 0 1 298.434 3.550 20 0 CHADMN Cc1nc([C@H](C)NC[C@H]2C(C)(C)C2(F)F)c(C)s1 ZINC000658281611 1119715783 /nfs/dbraw/zinc/71/57/83/1119715783.db2.gz QQRHBTWUNWERPN-XVKPBYJWSA-N 0 1 274.380 3.702 20 0 CHADMN CC(C)[C@@H](O)[C@@H](N[C@@H](C)c1ccco1)c1ccccc1 ZINC000658289039 1119718678 /nfs/dbraw/zinc/71/86/78/1119718678.db2.gz VUROMOLJVUDNDY-RRQGHBQHSA-N 0 1 273.376 3.688 20 0 CHADMN Cc1cncc([C@H](C)N[C@@H](c2ccccc2)[C@@H](O)C(C)C)c1 ZINC000658288108 1119719066 /nfs/dbraw/zinc/71/90/66/1119719066.db2.gz MXKIYYPKZYRDEH-SNRMKQJTSA-N 0 1 298.430 3.799 20 0 CHADMN C[C@H](NCc1cnn(C)c1C1CC1)c1ccc(Cl)cc1 ZINC000892431830 1119721560 /nfs/dbraw/zinc/72/15/60/1119721560.db2.gz XMAUUDSCMFXSJA-NSHDSACASA-N 0 1 289.810 3.802 20 0 CHADMN Cc1cccc2c1CCC[C@H]2N[C@@H](c1nccn1C)C1CC1 ZINC000658336826 1119726834 /nfs/dbraw/zinc/72/68/34/1119726834.db2.gz BUOFCWKVMMTALM-QZTJIDSGSA-N 0 1 295.430 3.847 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2c(C)cccc21)c1ccn(C)n1 ZINC000658339269 1119727241 /nfs/dbraw/zinc/72/72/41/1119727241.db2.gz RPEUHQDBWIPGED-SJORKVTESA-N 0 1 283.419 3.847 20 0 CHADMN CC[C@H](N[C@@H](C)c1nccn1C)c1cccc(C)c1 ZINC000658338900 1119727539 /nfs/dbraw/zinc/72/75/39/1119727539.db2.gz MQCXPXOCUIMWNQ-ZFWWWQNUSA-N 0 1 257.381 3.530 20 0 CHADMN CC(C)(C)C(F)(F)CN[C@@H]1CCCSCC1 ZINC000658340197 1119728013 /nfs/dbraw/zinc/72/80/13/1119728013.db2.gz ZDUJTLPPWGRBDF-SNVBAGLBSA-N 0 1 251.386 3.543 20 0 CHADMN Cc1cccc2c1CCC[C@H]2N[C@@H]1CCCn2ccnc21 ZINC000658340277 1119728397 /nfs/dbraw/zinc/72/83/97/1119728397.db2.gz NHQSGSNJMGJJTR-IAGOWNOFSA-N 0 1 281.403 3.694 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2N[C@H](C)c1nccnc1C ZINC000658340318 1119728426 /nfs/dbraw/zinc/72/84/26/1119728426.db2.gz XOJGZMRGTWBAHG-PBHICJAKSA-N 0 1 281.403 3.822 20 0 CHADMN C[C@H](N[C@H]1C[C@H](O)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000658352123 1119729473 /nfs/dbraw/zinc/72/94/73/1119729473.db2.gz SUIBQFYSEVJNNW-FXQIFTODSA-N 0 1 294.609 3.821 20 0 CHADMN CC[C@@H](NCc1cccc(OC)c1C)c1ccc(F)cn1 ZINC000658351103 1119729491 /nfs/dbraw/zinc/72/94/91/1119729491.db2.gz BEIBWASOJSPOKO-OAHLLOKOSA-N 0 1 288.366 3.779 20 0 CHADMN Clc1ccc(-c2noc(CN3C4CCC3CC4)n2)cc1 ZINC000648212387 1119729857 /nfs/dbraw/zinc/72/98/57/1119729857.db2.gz WCEMYFGIZWBEPQ-UHFFFAOYSA-N 0 1 289.766 3.517 20 0 CHADMN Cc1cc(CN2CC[C@@H]3CCC[C@@H]32)ncc1Br ZINC000628242081 1119745305 /nfs/dbraw/zinc/74/53/05/1119745305.db2.gz RGDKLYKPQJQCHR-FZMZJTMJSA-N 0 1 295.224 3.527 20 0 CHADMN Cc1ncc(CN[C@H]2CCc3ccc(C(C)C)cc32)o1 ZINC000628242084 1119745855 /nfs/dbraw/zinc/74/58/55/1119745855.db2.gz RGIZYKIDVXNYKV-KRWDZBQOSA-N 0 1 270.376 3.884 20 0 CHADMN COc1ccc([C@H](NCc2nccn2C2CC2)C(C)C)cc1 ZINC000892468361 1119747258 /nfs/dbraw/zinc/74/72/58/1119747258.db2.gz SDJVODCEGBPPFK-GOSISDBHSA-N 0 1 299.418 3.714 20 0 CHADMN Cc1cc(CN[C@H]2CSCc3ccccc32)sn1 ZINC000404347606 1119751225 /nfs/dbraw/zinc/75/12/25/1119751225.db2.gz JBJWMPAFKVULPF-AWEZNQCLSA-N 0 1 276.430 3.529 20 0 CHADMN Cc1cc(CN[C@@H]2CSCc3ccccc32)sn1 ZINC000404347610 1119752043 /nfs/dbraw/zinc/75/20/43/1119752043.db2.gz JBJWMPAFKVULPF-CQSZACIVSA-N 0 1 276.430 3.529 20 0 CHADMN C[C@@H](NCc1c(F)c(F)cc(F)c1F)C1CC(F)(F)C1 ZINC000628227447 1119754214 /nfs/dbraw/zinc/75/42/14/1119754214.db2.gz GRZQJOWCCXHZLK-ZCFIWIBFSA-N 0 1 297.242 3.766 20 0 CHADMN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cccc(Br)n2)C1 ZINC000310511013 1119754319 /nfs/dbraw/zinc/75/43/19/1119754319.db2.gz LNFJNOQNPGTFHP-WOPDTQHZSA-N 0 1 297.240 3.711 20 0 CHADMN Cc1cc(CNCc2ccc(Br)cc2)sn1 ZINC000404473597 1119754954 /nfs/dbraw/zinc/75/49/54/1119754954.db2.gz OATCGJDRACZTFI-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc(OC(F)F)c2)sn1 ZINC000404445015 1119755109 /nfs/dbraw/zinc/75/51/09/1119755109.db2.gz NDADHPWCJIGOQA-JTQLQIEISA-N 0 1 298.358 3.904 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(OC(F)F)c2)sn1 ZINC000404445018 1119755176 /nfs/dbraw/zinc/75/51/76/1119755176.db2.gz NDADHPWCJIGOQA-SNVBAGLBSA-N 0 1 298.358 3.904 20 0 CHADMN Cc1cc(CN2C[C@@H](C)[C@@H](F)C2)cc(OC(F)(F)F)c1 ZINC001143462389 1119763490 /nfs/dbraw/zinc/76/34/90/1119763490.db2.gz JLSLWZODPCRXOZ-MFKMUULPSA-N 0 1 291.288 3.683 20 0 CHADMN CC(C)[C@@H](CC(F)(F)F)NCc1cnc(C2CC2)o1 ZINC000628244870 1119764292 /nfs/dbraw/zinc/76/42/92/1119764292.db2.gz YKPKBNCGDNPTDJ-LLVKDONJSA-N 0 1 276.302 3.619 20 0 CHADMN CCCCC[C@@H](N[C@H](C)c1nc(COC)no1)C(C)(C)C ZINC000181335165 1128867661 /nfs/dbraw/zinc/86/76/61/1128867661.db2.gz BPGGDAAPGPLPAO-CHWSQXEVSA-N 0 1 297.443 3.862 20 0 CHADMN CCOc1ccc2nc(SCCOC3CCC3)[nH]c2c1 ZINC000343815111 1119768152 /nfs/dbraw/zinc/76/81/52/1119768152.db2.gz WBEFDMPZHAQDJP-UHFFFAOYSA-N 0 1 292.404 3.623 20 0 CHADMN CCCC(CCC)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375843675 1119768230 /nfs/dbraw/zinc/76/82/30/1119768230.db2.gz YPOQYHOVVGHYLL-UHFFFAOYSA-N 0 1 291.439 3.641 20 0 CHADMN Cc1cccc(C)c1CNC(=O)c1ccc(O)c(Cl)c1 ZINC000151319026 1119772625 /nfs/dbraw/zinc/77/26/25/1119772625.db2.gz QURRGMMREXLDMU-UHFFFAOYSA-N 0 1 289.762 3.592 20 0 CHADMN CCOc1ccc(CN[C@H](c2ccccc2)C2CC2)o1 ZINC000892486245 1119775657 /nfs/dbraw/zinc/77/56/57/1119775657.db2.gz SYMKYWQRCDKOTB-QGZVFWFLSA-N 0 1 271.360 3.919 20 0 CHADMN CN(Cc1cc(Br)cc(F)c1F)C1CCC1 ZINC000584472762 1119775684 /nfs/dbraw/zinc/77/56/84/1119775684.db2.gz DOSNKJAUCAFARE-UHFFFAOYSA-N 0 1 290.151 3.712 20 0 CHADMN Cc1cnccc1CN[C@H]1CCSc2ccc(F)cc21 ZINC000294754264 1119788089 /nfs/dbraw/zinc/78/80/89/1119788089.db2.gz KYQZFXBLSUCPSH-HNNXBMFYSA-N 0 1 288.391 3.856 20 0 CHADMN Oc1cc(Cl)cc(CNCc2ccc(F)c(F)c2)c1 ZINC001648924344 1119794075 /nfs/dbraw/zinc/79/40/75/1119794075.db2.gz BDXPXOLWFICTLK-UHFFFAOYSA-N 0 1 283.705 3.614 20 0 CHADMN CCC(CC)CNCc1csc(C(F)(F)F)n1 ZINC000892505575 1119805319 /nfs/dbraw/zinc/80/53/19/1119805319.db2.gz CLHXMGJYBUSPQW-UHFFFAOYSA-N 0 1 266.332 3.688 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2C[C@H]2c2c(F)cccc2Cl)o1 ZINC000628308307 1119811981 /nfs/dbraw/zinc/81/19/81/1119811981.db2.gz HSBOTLDIETWIKV-ZWNOBZJWSA-N 0 1 294.757 3.730 20 0 CHADMN CC(C)(C(=O)NOC1CCCCC1)c1ccc(Cl)cc1 ZINC000779322592 1128871491 /nfs/dbraw/zinc/87/14/91/1128871491.db2.gz RRRYVXLVSJVPMB-UHFFFAOYSA-N 0 1 295.810 3.998 20 0 CHADMN Cc1cc(C)c(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])cc1C ZINC000235837961 1119827006 /nfs/dbraw/zinc/82/70/06/1119827006.db2.gz ULMRLPIAXKDLQD-KRWDZBQOSA-N 0 1 289.419 3.831 20 0 CHADMN Cc1ccc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])cc1Cl ZINC000235872296 1119829530 /nfs/dbraw/zinc/82/95/30/1119829530.db2.gz XEZBFFPRHFYHBE-CQSZACIVSA-N 0 1 295.810 3.868 20 0 CHADMN Clc1ccc(Cc2noc([C@@H]3CCCCCN3)n2)cc1 ZINC000080988775 1119846446 /nfs/dbraw/zinc/84/64/46/1119846446.db2.gz ZAEVHWWGDAQCSP-ZDUSSCGKSA-N 0 1 291.782 3.519 20 0 CHADMN CCOCc1ccccc1CNCc1ccc(OCC)o1 ZINC000892515240 1119849204 /nfs/dbraw/zinc/84/92/04/1119849204.db2.gz KCNPLBJEYOOTOX-UHFFFAOYSA-N 0 1 289.375 3.505 20 0 CHADMN Cc1cn[nH]c1C[N@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000685837922 1119857166 /nfs/dbraw/zinc/85/71/66/1119857166.db2.gz FEUYXNUJTCDLAO-QGZVFWFLSA-N 0 1 269.392 3.672 20 0 CHADMN COc1cccc(CN[C@H]2CCc3c2nccc3Cl)c1 ZINC000924565067 1119861567 /nfs/dbraw/zinc/86/15/67/1119861567.db2.gz REPRMGBRFOOQJO-HNNXBMFYSA-N 0 1 288.778 3.521 20 0 CHADMN CCc1cc(Br)ccc1NCc1[nH]ncc1C ZINC000685843165 1119862554 /nfs/dbraw/zinc/86/25/54/1119862554.db2.gz ILTNCEVVBNAMLS-UHFFFAOYSA-N 0 1 294.196 3.655 20 0 CHADMN CCCC[C@H](C)N(C)Cc1nc2c(s1)CCC2 ZINC000685852654 1119873586 /nfs/dbraw/zinc/87/35/86/1119873586.db2.gz IGUMFSYOAOMHGE-NSHDSACASA-N 0 1 252.427 3.642 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccccn2)c(C)c1 ZINC000414061145 1119874308 /nfs/dbraw/zinc/87/43/08/1119874308.db2.gz YPWQUAQSCYZVAT-ZIAGYGMSSA-N 0 1 270.376 3.810 20 0 CHADMN CC(C)C[C@@H](N[C@@H](C)c1ccn(C)n1)c1ccccc1 ZINC000414065380 1119877928 /nfs/dbraw/zinc/87/79/28/1119877928.db2.gz OJYNGHFJTAWPCZ-WMLDXEAASA-N 0 1 271.408 3.858 20 0 CHADMN Fc1cccc(Cl)c1CN[C@H]1CCC(F)(F)C1 ZINC000310180719 1119878681 /nfs/dbraw/zinc/87/86/81/1119878681.db2.gz TWBYTDJSWZOYDF-QMMMGPOBSA-N 0 1 263.690 3.757 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc2c(c1)CCCC2)c1ccn(C)n1 ZINC000414078187 1119885320 /nfs/dbraw/zinc/88/53/20/1119885320.db2.gz ZQIMDLYJZWEVBW-ZIAGYGMSSA-N 0 1 283.419 3.711 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)C1CCC1)c1ccn(C)n1 ZINC000414087092 1119890744 /nfs/dbraw/zinc/89/07/44/1119890744.db2.gz ZZCLBQAKXXJLSF-SUMWQHHRSA-N 0 1 269.392 3.612 20 0 CHADMN Cc1cc(F)ccc1CN1CC[C@](CF)(C(F)(F)F)C1 ZINC001140776916 1119891508 /nfs/dbraw/zinc/89/15/08/1119891508.db2.gz BLXAQWAOLNPYCR-CYBMUJFWSA-N 0 1 293.279 3.858 20 0 CHADMN CCC[C@H](O)CN[C@H](C)c1csc(-c2ccccc2)n1 ZINC000414109212 1119901379 /nfs/dbraw/zinc/90/13/79/1119901379.db2.gz GYHBQFYSRGAXSF-OCCSQVGLSA-N 0 1 290.432 3.622 20 0 CHADMN Cc1ccccc1[C@H](N[C@H](C)c1ccn(C)n1)C(C)C ZINC000414126888 1119909148 /nfs/dbraw/zinc/90/91/48/1119909148.db2.gz RPIKHXAHXJSUJT-RHSMWYFYSA-N 0 1 271.408 3.776 20 0 CHADMN CC(C)OCCN[C@H](C)c1csc(-c2ccccc2)n1 ZINC000414129668 1119909903 /nfs/dbraw/zinc/90/99/03/1119909903.db2.gz ILXDTYSYISQRII-CYBMUJFWSA-N 0 1 290.432 3.886 20 0 CHADMN CC[C@@](C)(O)CN[C@H](C)c1csc(-c2ccccc2)n1 ZINC000414128099 1119910782 /nfs/dbraw/zinc/91/07/82/1119910782.db2.gz SXWKQARYHVVTHZ-MLGOLLRUSA-N 0 1 290.432 3.622 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H](C)c1ccn(C)n1)C1CC1 ZINC000414132671 1119910853 /nfs/dbraw/zinc/91/08/53/1119910853.db2.gz ZMDRRXGJBURIKU-SUMWQHHRSA-N 0 1 269.392 3.530 20 0 CHADMN CC[C@@H](COC)N[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414131486 1119911195 /nfs/dbraw/zinc/91/11/95/1119911195.db2.gz XZWPULYOEXWSAA-JSGCOSHPSA-N 0 1 290.432 3.886 20 0 CHADMN C[C@H](N[C@H](CO)c1c(Cl)cccc1Cl)[C@H]1C[C@H]1C ZINC000414152480 1119918655 /nfs/dbraw/zinc/91/86/55/1119918655.db2.gz QISVNJGERLJXEL-KEPMVKOISA-N 0 1 288.218 3.661 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@@H]2[C@@H](c3ccccc3)C2(C)C)nn1 ZINC000926745947 1119920238 /nfs/dbraw/zinc/92/02/38/1119920238.db2.gz SMKRNLVKGKANMX-KBRIMQKVSA-N 0 1 298.434 3.702 20 0 CHADMN CCCCCc1cc(C(=O)N(C)C[C@@H]2CC=CCC2)n[nH]1 ZINC000613447448 1119927404 /nfs/dbraw/zinc/92/74/04/1119927404.db2.gz JOIRTJPVDGNWHH-CQSZACIVSA-N 0 1 289.423 3.571 20 0 CHADMN Cc1ncc(CN[C@H](c2ccc(F)c(C)c2)C2CC2)o1 ZINC000414180126 1119929545 /nfs/dbraw/zinc/92/95/45/1119929545.db2.gz LGXSXPWQLKXGMB-INIZCTEOSA-N 0 1 274.339 3.671 20 0 CHADMN Cc1cc([C@@H]2CCCN2C/C=C\c2ccccc2)on1 ZINC000613456500 1119930554 /nfs/dbraw/zinc/93/05/54/1119930554.db2.gz KGVFYFPJKJAULA-GEZBDVBVSA-N 0 1 268.360 3.833 20 0 CHADMN CC[C@@H](CCc1ccccc1)N[C@H](C)c1ncco1 ZINC000926749888 1119935866 /nfs/dbraw/zinc/93/58/66/1119935866.db2.gz DGCIAIXLOOIJGV-HIFRSBDPSA-N 0 1 258.365 3.737 20 0 CHADMN c1c[nH]c([C@@H](NC[C@H]2CCC[C@@H]2C2CC2)c2ccccc2)n1 ZINC000414206392 1119939202 /nfs/dbraw/zinc/93/92/02/1119939202.db2.gz YLHGHCMHNOBHAQ-KURKYZTESA-N 0 1 295.430 3.915 20 0 CHADMN CCn1ccc(CN[C@@H](C)c2cc3ccccc3s2)n1 ZINC000414208537 1119940351 /nfs/dbraw/zinc/94/03/51/1119940351.db2.gz LUGFJJZSMAFXGL-LBPRGKRZSA-N 0 1 285.416 3.969 20 0 CHADMN CCCNC(=O)CN(CCC)Cc1ccc2ccccc2c1 ZINC000613502704 1119944813 /nfs/dbraw/zinc/94/48/13/1119944813.db2.gz XPFDXWZAYBGNMU-UHFFFAOYSA-N 0 1 298.430 3.578 20 0 CHADMN CC(C)CCN(C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000613502742 1119945294 /nfs/dbraw/zinc/94/52/94/1119945294.db2.gz XPJFYNFDMXSPNF-UHFFFAOYSA-N 0 1 293.798 3.868 20 0 CHADMN CC[C@@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1ccccc1 ZINC000414225635 1119946700 /nfs/dbraw/zinc/94/67/00/1119946700.db2.gz SKWZTWSXOBBDGE-BPLDGKMQSA-N 0 1 255.365 3.630 20 0 CHADMN Cc1occc1CN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000414251797 1119957582 /nfs/dbraw/zinc/95/75/82/1119957582.db2.gz AFIGHAJMAIYERM-LBPRGKRZSA-N 0 1 298.386 3.787 20 0 CHADMN Cc1occc1CNCc1cccc(NC(=O)C2CCC2)c1 ZINC000414263303 1119960337 /nfs/dbraw/zinc/96/03/37/1119960337.db2.gz JEZUYQODTKAQNW-UHFFFAOYSA-N 0 1 298.386 3.616 20 0 CHADMN CCCC(=O)Nc1ccc(CNCc2ccoc2C)cc1 ZINC000414285533 1119966399 /nfs/dbraw/zinc/96/63/99/1119966399.db2.gz LRFSIYHNVYXUFU-UHFFFAOYSA-N 0 1 286.375 3.616 20 0 CHADMN Cc1c(F)ccc(CN2CCC[C@]3(CCOC3)C2)c1Cl ZINC001236708925 1128881023 /nfs/dbraw/zinc/88/10/23/1128881023.db2.gz TVOTXLIKSJZVSA-INIZCTEOSA-N 0 1 297.801 3.790 20 0 CHADMN CCn1ccnc1NCc1cc(C)c(C)cc1OC(F)F ZINC000414295509 1119970037 /nfs/dbraw/zinc/97/00/37/1119970037.db2.gz FVCXCCOAQDXLMF-UHFFFAOYSA-N 0 1 295.333 3.733 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(OC(C)C)cc2)o1 ZINC000892603493 1119972934 /nfs/dbraw/zinc/97/29/34/1119972934.db2.gz OAHMQOHBIPEORY-ZDUSSCGKSA-N 0 1 289.375 3.926 20 0 CHADMN C[C@H](N[C@H]1CC[C@H](Cc2ccccc2)C1)c1csnn1 ZINC000414300153 1119973324 /nfs/dbraw/zinc/97/33/24/1119973324.db2.gz KUDOVAXHNRURBN-CFVMTHIKSA-N 0 1 287.432 3.600 20 0 CHADMN COc1cc(F)c(CN2CC[C@H]3CCCC[C@H]3C2)c(F)c1 ZINC001140826494 1119973765 /nfs/dbraw/zinc/97/37/65/1119973765.db2.gz JQUHFZFGOOLLGQ-OLZOCXBDSA-N 0 1 295.373 3.986 20 0 CHADMN COc1cc(F)c(CN2CCC[C@H](C)[C@@H]2C)c(F)c1 ZINC001140826734 1119975852 /nfs/dbraw/zinc/97/58/52/1119975852.db2.gz OVKIHOYAEJMLIB-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN c1ccc([C@@H]2CC[C@@H](NCc3nnc(C4CC4)s3)C2)cc1 ZINC000414322573 1119982485 /nfs/dbraw/zinc/98/24/85/1119982485.db2.gz HDSWXACNOFWBIT-HUUCEWRRSA-N 0 1 299.443 3.841 20 0 CHADMN CCc1ncc(CN(CC)[C@@H](C)c2ccc(F)cc2)cn1 ZINC000414372632 1120003535 /nfs/dbraw/zinc/00/35/35/1120003535.db2.gz QAZCMDLERJVSOX-ZDUSSCGKSA-N 0 1 287.382 3.761 20 0 CHADMN CCN(Cc1ccc2ccccc2c1)Cc1ccc(C)nn1 ZINC000414371806 1120004070 /nfs/dbraw/zinc/00/40/70/1120004070.db2.gz OBVFYXACARCEMK-UHFFFAOYSA-N 0 1 291.398 3.960 20 0 CHADMN CCc1ncc(CN(CC)[C@H](C)c2ccc(F)cc2)cn1 ZINC000414372631 1120004219 /nfs/dbraw/zinc/00/42/19/1120004219.db2.gz QAZCMDLERJVSOX-CYBMUJFWSA-N 0 1 287.382 3.761 20 0 CHADMN Cc1ccc(CN(Cc2cccc(Cl)c2)C(C)C)nn1 ZINC000414375795 1120006544 /nfs/dbraw/zinc/00/65/44/1120006544.db2.gz ZUOVGOYUSAULMN-UHFFFAOYSA-N 0 1 289.810 3.849 20 0 CHADMN Clc1ccc(-c2nc(CN3C[C@@H]4C[C@@H]4C3)cs2)cc1 ZINC000628408263 1120012696 /nfs/dbraw/zinc/01/26/96/1120012696.db2.gz WNTPNXBAFHUBSA-TXEJJXNPSA-N 0 1 290.819 3.915 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccnn1C1CCC1 ZINC000926783868 1120019658 /nfs/dbraw/zinc/01/96/58/1120019658.db2.gz CBCXXNWFKUCDJP-FPMFFAJLSA-N 0 1 265.376 3.539 20 0 CHADMN COc1cccc(-c2nc3ccc(SC)cc3[nH]2)c1O ZINC000587787866 1120023576 /nfs/dbraw/zinc/02/35/76/1120023576.db2.gz ZQOBPKXADNASRQ-UHFFFAOYSA-N 0 1 286.356 3.666 20 0 CHADMN Cc1cc(C#N)ccc1CNC1(c2ccccc2F)CC1 ZINC000186322407 1120024330 /nfs/dbraw/zinc/02/43/30/1120024330.db2.gz NYSDDMISJZVCGQ-UHFFFAOYSA-N 0 1 280.346 3.785 20 0 CHADMN Cc1oncc1CN(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000361590319 1120036188 /nfs/dbraw/zinc/03/61/88/1120036188.db2.gz JGRUVHSZYRFUMU-NEPJUHHUSA-N 0 1 276.302 3.536 20 0 CHADMN CC[C@@H](C)[C@@H](C)NCc1csc(C(F)(F)F)n1 ZINC000892675872 1120050173 /nfs/dbraw/zinc/05/01/73/1120050173.db2.gz GBDGANVQTCWZTG-HTQZYQBOSA-N 0 1 266.332 3.686 20 0 CHADMN CC[C@@H](C)[C@H](C)C(=O)Nc1ccccc1Nc1ccncc1 ZINC000647642328 1120050558 /nfs/dbraw/zinc/05/05/58/1120050558.db2.gz OQRGMAMQWTZEGI-KGLIPLIRSA-N 0 1 297.402 3.868 20 0 CHADMN Cc1cc(C)cc(OCCN2CCOc3ccccc3C2)c1 ZINC000613564903 1120065185 /nfs/dbraw/zinc/06/51/85/1120065185.db2.gz JCHIWSXPWPXQSF-UHFFFAOYSA-N 0 1 297.398 3.577 20 0 CHADMN CC(C)=CCN(C)Cc1ccc(Br)s1 ZINC000057642461 1120066713 /nfs/dbraw/zinc/06/67/13/1120066713.db2.gz QUGDNGUVRMLQSV-UHFFFAOYSA-N 0 1 274.227 3.909 20 0 CHADMN CCCN(CC)Cc1c(F)c(F)ccc1OCC ZINC001143486086 1120132651 /nfs/dbraw/zinc/13/26/51/1120132651.db2.gz WOBHBMAWHWLBIL-UHFFFAOYSA-N 0 1 257.324 3.595 20 0 CHADMN CC[C@@H](N[C@H](c1ccccc1)C1CC1)c1ccn(C)n1 ZINC000542671886 1120082739 /nfs/dbraw/zinc/08/27/39/1120082739.db2.gz YLEQERSAPOSQNJ-NVXWUHKLSA-N 0 1 269.392 3.612 20 0 CHADMN COc1cc([C@H](C)N[C@H](c2cccs2)C2CC2)on1 ZINC000924593034 1120083370 /nfs/dbraw/zinc/08/33/70/1120083370.db2.gz UVLOPQSTYOHZQA-XPTSAGLGSA-N 0 1 278.377 3.547 20 0 CHADMN CN(C(=O)c1cccc2[nH]cnc21)C(C)(C)c1ccccc1 ZINC000671892794 1120087315 /nfs/dbraw/zinc/08/73/15/1120087315.db2.gz HRLHNMQSKALTHY-UHFFFAOYSA-N 0 1 293.370 3.570 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)N(Cn3cc(Cl)cn3)C2)cc1 ZINC000782954329 1120091309 /nfs/dbraw/zinc/09/13/09/1120091309.db2.gz NCOIAGUSUNHSNH-UKRRQHHQSA-N 0 1 289.810 3.680 20 0 CHADMN c1ncc(CN2CCC(CCCc3ccccc3)CC2)o1 ZINC001140927421 1120102414 /nfs/dbraw/zinc/10/24/14/1120102414.db2.gz RDOQPOZTTORNEQ-UHFFFAOYSA-N 0 1 284.403 3.910 20 0 CHADMN CCO[C@@H](CC)c1noc([C@H]2CCCN2C2CCCC2)n1 ZINC000665041928 1120104622 /nfs/dbraw/zinc/10/46/22/1120104622.db2.gz YUPGSZQMZGCTDQ-KGLIPLIRSA-N 0 1 293.411 3.637 20 0 CHADMN c1ncc(CN2CCC(c3nc4ccccc4s3)CC2)o1 ZINC001140931541 1120106105 /nfs/dbraw/zinc/10/61/05/1120106105.db2.gz KIYXQZUEJNBBQA-UHFFFAOYSA-N 0 1 299.399 3.664 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@H]2CCC3(CCCC3)O2)c1Cl ZINC000655862323 1120106528 /nfs/dbraw/zinc/10/65/28/1120106528.db2.gz AVQUNYUZGFNUEO-CYBMUJFWSA-N 0 1 295.810 3.627 20 0 CHADMN COc1ccnc(CN(C)[C@@H](C)c2cc(C)ccc2C)c1 ZINC000106933838 1120109695 /nfs/dbraw/zinc/10/96/95/1120109695.db2.gz WDDVQFQFFIXQOB-HNNXBMFYSA-N 0 1 284.403 3.900 20 0 CHADMN CCCc1ccc(CNc2cccc(CN(C)C)n2)cc1 ZINC001168635461 1120112124 /nfs/dbraw/zinc/11/21/24/1120112124.db2.gz OJNOWBLVKHLOHR-UHFFFAOYSA-N 0 1 283.419 3.708 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000659802938 1120113090 /nfs/dbraw/zinc/11/30/90/1120113090.db2.gz AIJYWQWUCZDHBZ-OCCSQVGLSA-N 0 1 299.370 3.701 20 0 CHADMN CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000659801112 1120113264 /nfs/dbraw/zinc/11/32/64/1120113264.db2.gz NTSISLZCZFNLFH-CPUCHLNUSA-N 0 1 289.419 3.914 20 0 CHADMN Cc1cccc([C@@H](C)[N@H+]2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)c1 ZINC000659799890 1120113593 /nfs/dbraw/zinc/11/35/93/1120113593.db2.gz PGEREXGGLLPFMU-HFTRVMKXSA-N 0 1 287.403 3.633 20 0 CHADMN Cc1oc(C[N@H+]2CCCC[C@H]2CC2CCC2)cc1C(=O)[O-] ZINC000659804185 1120114242 /nfs/dbraw/zinc/11/42/42/1120114242.db2.gz VLJAIOJGCSOWQG-AWEZNQCLSA-N 0 1 291.391 3.831 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000659804488 1120114404 /nfs/dbraw/zinc/11/44/04/1120114404.db2.gz YBNWVIOGLVWUBV-HUUCEWRRSA-N 0 1 267.413 3.532 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(F)ccc2OC)cc1 ZINC000182415699 1120118902 /nfs/dbraw/zinc/11/89/02/1120118902.db2.gz OEFCYWDGRLPDTF-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN CCCC1CCC(N(C)Cc2cc(C)on2)CC1 ZINC000092902903 1120120254 /nfs/dbraw/zinc/12/02/54/1120120254.db2.gz XLJCSWCRVGADPO-UHFFFAOYSA-N 0 1 250.386 3.774 20 0 CHADMN CCc1ccccc1NC(=O)CN(C)CCCC1CCC1 ZINC000659829705 1120121529 /nfs/dbraw/zinc/12/15/29/1120121529.db2.gz ASOKOHNTKFZKIJ-UHFFFAOYSA-N 0 1 288.435 3.700 20 0 CHADMN CCN(C)c1ccccc1CN[C@@H](C)c1ccoc1 ZINC000765848562 1120127379 /nfs/dbraw/zinc/12/73/79/1120127379.db2.gz IMQMUTDWTWJNSR-ZDUSSCGKSA-N 0 1 258.365 3.587 20 0 CHADMN CCN(C)c1ccccc1CN[C@@H](C)c1ccco1 ZINC000765848506 1120127980 /nfs/dbraw/zinc/12/79/80/1120127980.db2.gz HRJBPOWSQDBLLN-ZDUSSCGKSA-N 0 1 258.365 3.587 20 0 CHADMN CCOc1ccc(F)c(F)c1C[N@@H+](C)[C@H](C)CC ZINC001143486442 1120134134 /nfs/dbraw/zinc/13/41/34/1120134134.db2.gz DXOXABKEXIVFBD-SNVBAGLBSA-N 0 1 257.324 3.594 20 0 CHADMN CCOc1ccc(F)c(F)c1CN(C)[C@H](C)CC ZINC001143486442 1120134136 /nfs/dbraw/zinc/13/41/36/1120134136.db2.gz DXOXABKEXIVFBD-SNVBAGLBSA-N 0 1 257.324 3.594 20 0 CHADMN CCOc1cccc([C@H](C)NCc2cnc(F)c(C)c2)c1 ZINC000892757478 1120136751 /nfs/dbraw/zinc/13/67/51/1120136751.db2.gz JXNMRYXVQRGDAJ-ZDUSSCGKSA-N 0 1 288.366 3.779 20 0 CHADMN C[C@H](CO)N(Cc1ccccc1)Cc1ccccc1Cl ZINC000728686695 1120138956 /nfs/dbraw/zinc/13/89/56/1120138956.db2.gz WIOMOCRYYQXCCI-CQSZACIVSA-N 0 1 289.806 3.723 20 0 CHADMN CCOc1ccc(F)c(F)c1CN(C)C(C)(C)C ZINC001143493263 1120157242 /nfs/dbraw/zinc/15/72/42/1120157242.db2.gz HCZJZWDGJGXWRB-UHFFFAOYSA-N 0 1 257.324 3.594 20 0 CHADMN Cc1ccc(CCN[C@@H](c2ccccc2)c2ccccn2)o1 ZINC000542774675 1120145134 /nfs/dbraw/zinc/14/51/34/1120145134.db2.gz JLLVRNJERIXHGL-IBGZPJMESA-N 0 1 292.382 3.905 20 0 CHADMN Cc1ccccc1C1(CNCc2nnc(C3CC3)s2)CC1 ZINC000892810419 1120145941 /nfs/dbraw/zinc/14/59/41/1120145941.db2.gz DFVYDWSJYPNPCP-UHFFFAOYSA-N 0 1 299.443 3.545 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)NCc2ccc(C)c(C)n2)c1 ZINC000313906481 1120157099 /nfs/dbraw/zinc/15/70/99/1120157099.db2.gz HTQBFSBEFBABRF-AWEZNQCLSA-N 0 1 297.402 3.508 20 0 CHADMN CCn1cc(CN[C@@H](C)c2ccc(C(F)(F)F)cc2)cn1 ZINC000112095957 1120168362 /nfs/dbraw/zinc/16/83/62/1120168362.db2.gz MZPMFFGBSXRYCF-NSHDSACASA-N 0 1 297.324 3.773 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2nc(Cc3ccccc3)no2)[C@H](C)C1 ZINC000112224002 1120175087 /nfs/dbraw/zinc/17/50/87/1120175087.db2.gz WEGDPVRIDPHTIR-IIAWOOMASA-N 0 1 299.418 3.575 20 0 CHADMN Cc1cc(CN(C)Cc2cccc3ccccc32)nc(C)n1 ZINC000659845003 1120175156 /nfs/dbraw/zinc/17/51/56/1120175156.db2.gz MQVFNKYZKXNROP-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN CC[C@@H](NCc1nn(C)c2ccccc12)c1cccs1 ZINC000112343282 1120175992 /nfs/dbraw/zinc/17/59/92/1120175992.db2.gz DZXVYAMUBYRORU-CYBMUJFWSA-N 0 1 285.416 3.876 20 0 CHADMN CC1CC(N[C@H](c2nccn2C)c2ccc(Cl)cc2)C1 ZINC000343845429 1120177059 /nfs/dbraw/zinc/17/70/59/1120177059.db2.gz VMBKZJRGDDSMAY-KWCHVYNWSA-N 0 1 289.810 3.551 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000165681216 1120180255 /nfs/dbraw/zinc/18/02/55/1120180255.db2.gz SGNCYELRJIBKLW-NSHDSACASA-N 0 1 299.773 3.556 20 0 CHADMN Cc1c2ccccc2oc1CNCc1cnn(C)c1C1CC1 ZINC000892955946 1120180450 /nfs/dbraw/zinc/18/04/50/1120180450.db2.gz CAGPSXSPNVPYLU-UHFFFAOYSA-N 0 1 295.386 3.642 20 0 CHADMN Cc1ccc(C)c(OCC[N@@H+]2CCS[C@@H](C)[C@H]2C)c1 ZINC000303720838 1120180625 /nfs/dbraw/zinc/18/06/25/1120180625.db2.gz RRRQVYZYEDUOCU-CABCVRRESA-N 0 1 279.449 3.508 20 0 CHADMN CCCSC[C@@H](C)N[C@H](C)c1csc(CC)n1 ZINC000892977132 1120185840 /nfs/dbraw/zinc/18/58/40/1120185840.db2.gz JTVRBYYCSHFYMC-GHMZBOCLSA-N 0 1 272.483 3.888 20 0 CHADMN COc1cccc([C@@H](C)N2Cc3ccccc3C2)c1 ZINC000175654963 1120186842 /nfs/dbraw/zinc/18/68/42/1120186842.db2.gz RNHNQBMJZSWFNN-CYBMUJFWSA-N 0 1 253.345 3.772 20 0 CHADMN C[C@@H](CN(C)Cn1ccc(C(F)(F)F)n1)c1ccccc1 ZINC000066795362 1120190560 /nfs/dbraw/zinc/19/05/60/1120190560.db2.gz ULCOWCVXWQAUIK-LBPRGKRZSA-N 0 1 297.324 3.595 20 0 CHADMN COc1cccc2c1CN(C[C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000628462179 1120191966 /nfs/dbraw/zinc/19/19/66/1120191966.db2.gz JQHYFIMGGTVNED-DLBZAZTESA-N 0 1 279.383 3.815 20 0 CHADMN COc1cccc2c1CN(C[C@H]1C[C@H]1c1ccccc1)C2 ZINC000628462181 1120193393 /nfs/dbraw/zinc/19/33/93/1120193393.db2.gz JQHYFIMGGTVNED-SJORKVTESA-N 0 1 279.383 3.815 20 0 CHADMN Cc1cccnc1[C@@H](NCc1ccnn1C1CCC1)C(C)C ZINC000921746110 1120195238 /nfs/dbraw/zinc/19/52/38/1120195238.db2.gz WJONQJYJWIOPPT-KRWDZBQOSA-N 0 1 298.434 3.798 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)NCc1nc(C(C)(C)C)co1 ZINC000921753125 1120198008 /nfs/dbraw/zinc/19/80/08/1120198008.db2.gz WYYOGXZAOVOPPP-LBPRGKRZSA-N 0 1 290.382 3.832 20 0 CHADMN CCOc1ccc(F)c(F)c1CN1CCC[C@H]1C(C)C ZINC001143497511 1120200891 /nfs/dbraw/zinc/20/08/91/1120200891.db2.gz PLFLRRBTWISGBR-AWEZNQCLSA-N 0 1 283.362 3.984 20 0 CHADMN CCCN(Cc1cc(OC)no1)[C@H]1CCc2ccccc21 ZINC000659860559 1120203481 /nfs/dbraw/zinc/20/34/81/1120203481.db2.gz XVSKQUHEACKTGF-INIZCTEOSA-N 0 1 286.375 3.583 20 0 CHADMN CCn1cc(CNC(C)(C)c2cccc(Cl)c2)c(C)n1 ZINC000893040733 1120207106 /nfs/dbraw/zinc/20/71/06/1120207106.db2.gz HNXJVDYWOLKKGG-UHFFFAOYSA-N 0 1 291.826 3.890 20 0 CHADMN O=C1[C@H]2CCCCCC2=NN1c1ccc(Cl)cc1 ZINC000103465640 1120207113 /nfs/dbraw/zinc/20/71/13/1120207113.db2.gz AIOFZTNPPWYTRL-LBPRGKRZSA-N 0 1 262.740 3.623 20 0 CHADMN O=c1c2c([nH]n1-c1ccc(Cl)cc1)CCCCC2 ZINC000103465640 1120207117 /nfs/dbraw/zinc/20/71/17/1120207117.db2.gz AIOFZTNPPWYTRL-LBPRGKRZSA-N 0 1 262.740 3.623 20 0 CHADMN Cc1ccc(SCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000060741828 1120207165 /nfs/dbraw/zinc/20/71/65/1120207165.db2.gz CXYNPWHJWMUDDC-GASCZTMLSA-N 0 1 279.449 3.505 20 0 CHADMN Cc1ccc(SCCN2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000060741828 1120207170 /nfs/dbraw/zinc/20/71/70/1120207170.db2.gz CXYNPWHJWMUDDC-GASCZTMLSA-N 0 1 279.449 3.505 20 0 CHADMN Cc1ncc(CNC/C=C/c2c(C)cc(C)cc2C)o1 ZINC000631158127 1120208477 /nfs/dbraw/zinc/20/84/77/1120208477.db2.gz YQJWKOUCTAHQCK-AATRIKPKSA-N 0 1 270.376 3.711 20 0 CHADMN Cc1nc(CN2CCC[C@H](Cc3ccc(C)cc3)C2)co1 ZINC000659861967 1120209564 /nfs/dbraw/zinc/20/95/64/1120209564.db2.gz LBAVIMHFWICWER-QGZVFWFLSA-N 0 1 284.403 3.746 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N1CC[C@@H](C2CCCCC2)C1 ZINC000618181881 1128898927 /nfs/dbraw/zinc/89/89/27/1128898927.db2.gz TTZQBZAUAGXTAA-CQSZACIVSA-N 0 1 297.402 3.605 20 0 CHADMN CC(C)(C)c1cnc(CN2CC[C@@H](C3CCC3)C2)o1 ZINC000665286981 1120213619 /nfs/dbraw/zinc/21/36/19/1120213619.db2.gz ZEEMJYHOXRYERF-CYBMUJFWSA-N 0 1 262.397 3.594 20 0 CHADMN O=C([O-])[C@H]1CCCCC[N@H+]1CCCC1CCCCC1 ZINC000395112405 1120214631 /nfs/dbraw/zinc/21/46/31/1120214631.db2.gz PHJVMFWXXOQLLH-OAHLLOKOSA-N 0 1 267.413 3.676 20 0 CHADMN CCN(Cc1nc(C(C)(C)C)no1)C1CCCCC1 ZINC000061109358 1120215348 /nfs/dbraw/zinc/21/53/48/1120215348.db2.gz QDIQJSLWVIKKJR-UHFFFAOYSA-N 0 1 265.401 3.522 20 0 CHADMN CC(C)n1ccnc1C[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000177541689 1120218589 /nfs/dbraw/zinc/21/85/89/1120218589.db2.gz XUIBIQLIZQHJBP-WBVHZDCISA-N 0 1 283.419 3.842 20 0 CHADMN CC/C=C/CCN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186498641 1120232148 /nfs/dbraw/zinc/23/21/48/1120232148.db2.gz FFDLNHSFPNAREZ-ONEGZZNKSA-N 0 1 295.373 3.605 20 0 CHADMN CCCc1cc(C(=O)N2CCC[C@H]2c2cccc(C)c2)n[nH]1 ZINC000618338350 1128905644 /nfs/dbraw/zinc/90/56/44/1128905644.db2.gz HIZKIPSQNAIICN-KRWDZBQOSA-N 0 1 297.402 3.648 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2ccc(-c3ccccc3)o2)n1 ZINC000843148735 1120248004 /nfs/dbraw/zinc/24/80/04/1120248004.db2.gz WHTKTEJJGUJXON-CQSZACIVSA-N 0 1 283.331 3.652 20 0 CHADMN CCCCc1nc(CN[C@@H](CO)C2CCCCC2)cs1 ZINC000542911871 1120248753 /nfs/dbraw/zinc/24/87/53/1120248753.db2.gz BZWXMPODRRXBTH-HNNXBMFYSA-N 0 1 296.480 3.517 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2cc3cc(Cl)ccc3o2)n1 ZINC000843148302 1120251114 /nfs/dbraw/zinc/25/11/14/1120251114.db2.gz PHPKZCGZCIXDIU-GFCCVEGCSA-N 0 1 291.738 3.792 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@@H](C)CCc2cccc(F)c2)n1 ZINC000843149780 1120252508 /nfs/dbraw/zinc/25/25/08/1120252508.db2.gz QAROHWOYKPKHQF-SMDDNHRTSA-N 0 1 291.370 3.601 20 0 CHADMN O=C1[C@@H]2CCCCCC2=NN1c1ccccc1Cl ZINC000103465648 1120253227 /nfs/dbraw/zinc/25/32/27/1120253227.db2.gz ASQHDXCPHAGMIG-SNVBAGLBSA-N 0 1 262.740 3.623 20 0 CHADMN O=c1c2c([nH]n1-c1ccccc1Cl)CCCCC2 ZINC000103465648 1120253230 /nfs/dbraw/zinc/25/32/30/1120253230.db2.gz ASQHDXCPHAGMIG-SNVBAGLBSA-N 0 1 262.740 3.623 20 0 CHADMN CC[C@@H](C)C[C@@H](C)Nc1ncnc2[nH]c(C(C)C)nc21 ZINC001168689006 1120254650 /nfs/dbraw/zinc/25/46/50/1120254650.db2.gz FGJVZWBBVHUERF-GHMZBOCLSA-N 0 1 275.400 3.713 20 0 CHADMN CCCc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)CC)n[nH]1 ZINC000111195447 1120255325 /nfs/dbraw/zinc/25/53/25/1120255325.db2.gz STFPMQZSKMZUPV-AWEZNQCLSA-N 0 1 299.418 3.803 20 0 CHADMN CCc1cnc(CN2CCCC[C@H]2Cc2ccccc2)o1 ZINC000075685199 1120264038 /nfs/dbraw/zinc/26/40/38/1120264038.db2.gz ZIVANPSCSTWYMQ-INIZCTEOSA-N 0 1 284.403 3.834 20 0 CHADMN Cc1cc2cc[nH]c2c(N[C@@H](C)CCCC(C)(C)O)n1 ZINC001168694930 1120277756 /nfs/dbraw/zinc/27/77/56/1120277756.db2.gz CPUFOJLCDLFQKX-NSHDSACASA-N 0 1 275.396 3.613 20 0 CHADMN CC[C@H](NCc1nn(C)c2ccccc12)c1cccs1 ZINC000112343280 1120283700 /nfs/dbraw/zinc/28/37/00/1120283700.db2.gz DZXVYAMUBYRORU-ZDUSSCGKSA-N 0 1 285.416 3.876 20 0 CHADMN Cn1ccnc1[C@H](N[C@@H]1CCC12CCC2)c1ccc(F)cc1 ZINC000282318429 1120284341 /nfs/dbraw/zinc/28/43/41/1120284341.db2.gz UEVSFOWYROBANA-HZPDHXFCSA-N 0 1 299.393 3.571 20 0 CHADMN CC(C)OC1CCC(NCc2nc(C(C)(C)C)co2)CC1 ZINC000921929832 1120286038 /nfs/dbraw/zinc/28/60/38/1120286038.db2.gz YRXQFVPBPSPZGN-UHFFFAOYSA-N 0 1 294.439 3.798 20 0 CHADMN COc1cc(CN(C)[C@H](c2ccccc2)C(C)C)on1 ZINC000659928851 1120290423 /nfs/dbraw/zinc/29/04/23/1120290423.db2.gz ZKMXCAHEZVKHLZ-INIZCTEOSA-N 0 1 274.364 3.512 20 0 CHADMN Fc1cccc([C@@H]2CN(C[C@H]3CC=CCC3)CCO2)c1 ZINC000092975541 1120298168 /nfs/dbraw/zinc/29/81/68/1120298168.db2.gz BUVIALZKVTVCFZ-YOEHRIQHSA-N 0 1 275.367 3.555 20 0 CHADMN Fc1ccc2c(c1)CCC[C@H]2NCc1ccnn1C1CCC1 ZINC000921948964 1120301619 /nfs/dbraw/zinc/30/16/19/1120301619.db2.gz JSEGBKMQIFKJQD-GOSISDBHSA-N 0 1 299.393 3.914 20 0 CHADMN Cc1ccc(C)c(CC(=O)Nc2cccc(Cl)c2O)c1 ZINC000077011848 1120305630 /nfs/dbraw/zinc/30/56/30/1120305630.db2.gz VCMLTJVVSGHKGE-UHFFFAOYSA-N 0 1 289.762 3.844 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1ccc2cc[nH]c2c1 ZINC000077012841 1120305837 /nfs/dbraw/zinc/30/58/37/1120305837.db2.gz VLXJEGCBNDPQSL-UHFFFAOYSA-N 0 1 286.718 3.779 20 0 CHADMN CN(C(=O)c1cnc(C2CC2)[nH]1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416293419 1120305958 /nfs/dbraw/zinc/30/59/58/1120305958.db2.gz QPWPKMHQUFKGRG-GXTWGEPZSA-N 0 1 289.423 3.574 20 0 CHADMN CN(C(=O)c1cc(C2CC2)[nH]n1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416305539 1120307383 /nfs/dbraw/zinc/30/73/83/1120307383.db2.gz IYQUPAJZEJMNPO-DOMZBBRYSA-N 0 1 289.423 3.574 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccccc3)[C@H](C)C2)co1 ZINC000659957261 1120309144 /nfs/dbraw/zinc/30/91/44/1120309144.db2.gz ZBKVDQXCQMXHKX-CXAGYDPISA-N 0 1 270.376 3.609 20 0 CHADMN CC(C)C[C@@H]1C[C@@H](NCc2nc(C(C)(C)C)co2)CCO1 ZINC000921973000 1120312738 /nfs/dbraw/zinc/31/27/38/1120312738.db2.gz DXPHAAFGLOEPTI-UONOGXRCSA-N 0 1 294.439 3.655 20 0 CHADMN CN(CCCC(C)(C)C)Cc1nc2ccccc2n1C ZINC000499551377 1120315118 /nfs/dbraw/zinc/31/51/18/1120315118.db2.gz YIILOWAZSOTCKL-UHFFFAOYSA-N 0 1 273.424 3.831 20 0 CHADMN CCC[C@@H](C)CCC[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000629360917 1128907913 /nfs/dbraw/zinc/90/79/13/1128907913.db2.gz XBUNVDAJALNJFP-WBVHZDCISA-N 0 1 291.435 3.831 20 0 CHADMN C[C@@H](C[N@@H+](C)CCCCCC(=O)[O-])C1CCCCC1 ZINC000629371853 1128907918 /nfs/dbraw/zinc/90/79/18/1128907918.db2.gz NBANWVGCJPHAKE-AWEZNQCLSA-N 0 1 269.429 3.780 20 0 CHADMN COc1ccccc1[C@@H]1CCCC[N@H+]1CCOC1CCC1 ZINC000672543185 1120322709 /nfs/dbraw/zinc/32/27/09/1120322709.db2.gz NCUNFWPHXAXCTD-KRWDZBQOSA-N 0 1 289.419 3.791 20 0 CHADMN Fc1cccc(Cl)c1CNC[C@H]1CC1(Cl)Cl ZINC000309552845 1120323096 /nfs/dbraw/zinc/32/30/96/1120323096.db2.gz GMJBZRWJWUDWJC-SSDOTTSWSA-N 0 1 282.573 3.763 20 0 CHADMN Cc1cc(CNCc2cnn(C3CCC3)c2)ccc1Cl ZINC000921995440 1120325387 /nfs/dbraw/zinc/32/53/87/1120325387.db2.gz NLNGFRVICMNLDQ-UHFFFAOYSA-N 0 1 289.810 3.860 20 0 CHADMN COc1cccc(C[C@@H](N[C@H]2CCCC2(F)F)C2CC2)c1 ZINC000672620377 1120334209 /nfs/dbraw/zinc/33/42/09/1120334209.db2.gz MARGSZBNSMKUDG-CVEARBPZSA-N 0 1 295.373 3.794 20 0 CHADMN C[C@H](CCc1ccc(F)cc1)N[C@@H]1CCCC1(F)F ZINC000672621785 1120336223 /nfs/dbraw/zinc/33/62/23/1120336223.db2.gz JBFGWXZWHKFYIQ-BXUZGUMPSA-N 0 1 271.326 3.924 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)[C@H]2CCC[C@H]21 ZINC000629374067 1128909190 /nfs/dbraw/zinc/90/91/90/1128909190.db2.gz PDFGNJOHXSHIHL-XHSDSOJGSA-N 0 1 299.370 3.508 20 0 CHADMN CC1(C)CCC(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)CC1 ZINC000629377295 1128909472 /nfs/dbraw/zinc/90/94/72/1128909472.db2.gz MKNHGPFKIOBQMC-OWCLPIDISA-N 0 1 293.451 3.778 20 0 CHADMN CO[C@@H](CN[C@@H](c1ccccc1)c1ccccn1)C1CCC1 ZINC000660021380 1120343933 /nfs/dbraw/zinc/34/39/33/1120343933.db2.gz MKWQXYDEWPKSOX-OALUTQOASA-N 0 1 296.414 3.576 20 0 CHADMN O=C1[C@@H]2CCCCC2=NN1c1cccc(C(F)(F)F)c1 ZINC000104931034 1120344609 /nfs/dbraw/zinc/34/46/09/1120344609.db2.gz GXUAMEUMFNGYIL-LLVKDONJSA-N 0 1 282.265 3.598 20 0 CHADMN O=c1c2c([nH]n1-c1cccc(C(F)(F)F)c1)CCCC2 ZINC000104931034 1120344613 /nfs/dbraw/zinc/34/46/13/1120344613.db2.gz GXUAMEUMFNGYIL-LLVKDONJSA-N 0 1 282.265 3.598 20 0 CHADMN Cc1ccc(F)cc1CN(C)[C@@H](C)c1ccncc1 ZINC000183711958 1120345282 /nfs/dbraw/zinc/34/52/82/1120345282.db2.gz UKRGUOHISCEWOX-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN C[C@H]1CN(Cc2nccn2Cc2ccccc2)CC(C)(C)C1 ZINC000544112360 1120346932 /nfs/dbraw/zinc/34/69/32/1120346932.db2.gz BZYSSHJYXKGUSO-MRXNPFEDSA-N 0 1 297.446 3.799 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1ccc(F)cc1 ZINC000584572347 1120350904 /nfs/dbraw/zinc/35/09/04/1120350904.db2.gz QERBPJLTGJSTAR-ZDUSSCGKSA-N 0 1 255.336 3.773 20 0 CHADMN CCc1ccc(CN2CCC=C(c3ccco3)C2)nc1 ZINC000339186425 1120356954 /nfs/dbraw/zinc/35/69/54/1120356954.db2.gz QEHNNAFFGLCJBV-UHFFFAOYSA-N 0 1 268.360 3.526 20 0 CHADMN C[C@@H](NCc1cccc2c1OCC2)c1ccnc(Cl)c1 ZINC000922087111 1120362826 /nfs/dbraw/zinc/36/28/26/1120362826.db2.gz RAEUYUXVHRNFPC-LLVKDONJSA-N 0 1 288.778 3.521 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cc(C)nc2ccccc12 ZINC000113957760 1120362893 /nfs/dbraw/zinc/36/28/93/1120362893.db2.gz NWRPNJCUCDAPON-LBPRGKRZSA-N 0 1 295.386 3.999 20 0 CHADMN CC(C)(C)c1coc(CNC[C@H]2CCCC(F)(F)C2)n1 ZINC000922104250 1120366704 /nfs/dbraw/zinc/36/67/04/1120366704.db2.gz LKMQUVUVNAMVIK-NSHDSACASA-N 0 1 286.366 3.887 20 0 CHADMN CO[C@@H](CNC(C)(C)c1nc(C)cs1)C1CCCCC1 ZINC000660078917 1120366467 /nfs/dbraw/zinc/36/64/67/1120366467.db2.gz XGRSYUUUQFDNAB-AWEZNQCLSA-N 0 1 296.480 3.872 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H]2CCC[C@H](C3CCOCC3)C2)o1 ZINC000922101522 1120366890 /nfs/dbraw/zinc/36/68/90/1120366890.db2.gz OLLRWKMOIWQBOF-CWRNSKLLSA-N 0 1 292.423 3.619 20 0 CHADMN CSc1ccc(CNCc2occc2C)s1 ZINC000309867424 1120370545 /nfs/dbraw/zinc/37/05/45/1120370545.db2.gz PCFQXGFTGCHJJH-UHFFFAOYSA-N 0 1 253.392 3.661 20 0 CHADMN Cc1cc(CN(C)Cc2csc3ccccc23)c(C)nn1 ZINC000929264195 1120373176 /nfs/dbraw/zinc/37/31/76/1120373176.db2.gz MJDHYNQDRNUZBA-UHFFFAOYSA-N 0 1 297.427 3.940 20 0 CHADMN CCc1onc(C)c1CN1CCC[C@@H]1c1ccsc1 ZINC000929264810 1120377648 /nfs/dbraw/zinc/37/76/48/1120377648.db2.gz ZVKIUAPKLAHGEP-CQSZACIVSA-N 0 1 276.405 3.944 20 0 CHADMN Clc1cnc(NCc2nc3ccc(Cl)cc3[nH]2)s1 ZINC000680894318 1120379396 /nfs/dbraw/zinc/37/93/96/1120379396.db2.gz VOMDPGLOGCYVAE-UHFFFAOYSA-N 0 1 299.186 3.938 20 0 CHADMN CC[C@@H](CSc1nc(-c2ccc(Cl)cc2)n[nH]1)OC ZINC000416888552 1120381354 /nfs/dbraw/zinc/38/13/54/1120381354.db2.gz JDUVMJRMDCJKHS-NSHDSACASA-N 0 1 297.811 3.642 20 0 CHADMN C[C@H]1CCCN1Cc1cc2sccc2nc1Cl ZINC001236860625 1128912982 /nfs/dbraw/zinc/91/29/82/1128912982.db2.gz MGBJTYLHKNBRJV-VIFPVBQESA-N 0 1 266.797 3.934 20 0 CHADMN CC(C)c1ccc([C@H]2CCCN2Cc2cn(C)cn2)cc1 ZINC000660132543 1120391785 /nfs/dbraw/zinc/39/17/85/1120391785.db2.gz JSUZXPSCRKOGJZ-GOSISDBHSA-N 0 1 283.419 3.881 20 0 CHADMN Fc1ccc(CN2C[C@H]3CCC[C@@H]3C2)c(F)c1Cl ZINC001143615510 1120392726 /nfs/dbraw/zinc/39/27/26/1120392726.db2.gz DQDWKEWNFMEYTO-NXEZZACHSA-N 0 1 271.738 3.850 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@@H](O)c2ccccc2)cs1 ZINC000186203224 1120393289 /nfs/dbraw/zinc/39/32/89/1120393289.db2.gz KKABIPDROKLFEE-IUODEOHRSA-N 0 1 290.432 3.651 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@@H](O)c2ccccc2)cs1 ZINC000186203239 1120393482 /nfs/dbraw/zinc/39/34/82/1120393482.db2.gz KKABIPDROKLFEE-SWLSCSKDSA-N 0 1 290.432 3.651 20 0 CHADMN COc1ncc(CN[C@H](C)c2ccc(SC)cc2)s1 ZINC000382338832 1128913623 /nfs/dbraw/zinc/91/36/23/1128913623.db2.gz ARYCAYACAMDBRA-SNVBAGLBSA-N 0 1 294.445 3.724 20 0 CHADMN COC[C@@H](NCc1cc[nH]c1)c1cccc(C(F)(F)F)c1 ZINC000086254617 1120396565 /nfs/dbraw/zinc/39/65/65/1120396565.db2.gz FDGWONQSDIXCFV-CQSZACIVSA-N 0 1 298.308 3.511 20 0 CHADMN FC(F)CN[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000681411312 1120400591 /nfs/dbraw/zinc/40/05/91/1120400591.db2.gz SPDSGQQOBLIREE-UONOGXRCSA-N 0 1 253.336 3.643 20 0 CHADMN CC(=O)Nc1ccc(CNCc2ccccc2Cl)cc1 ZINC000017310495 1120407061 /nfs/dbraw/zinc/40/70/61/1120407061.db2.gz OMIJRZXVMMNYQT-UHFFFAOYSA-N 0 1 288.778 3.588 20 0 CHADMN Cc1c([C@@H](C)N[C@H](C)c2cnccc2C)cnn1C(C)C ZINC000682493682 1120415016 /nfs/dbraw/zinc/41/50/16/1120415016.db2.gz HWCZCPXPFSQAIN-ZIAGYGMSSA-N 0 1 286.423 3.888 20 0 CHADMN CCc1nocc1CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000660179937 1120419430 /nfs/dbraw/zinc/41/94/30/1120419430.db2.gz ZZUBSLZGKXKPCM-JTQLQIEISA-N 0 1 296.317 3.689 20 0 CHADMN CCC(F)(F)CN[C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000624147500 1120419604 /nfs/dbraw/zinc/41/96/04/1120419604.db2.gz BXHISISJNJKEDW-VXGBXAGGSA-N 0 1 271.351 3.822 20 0 CHADMN Cc1cc(CN2CCc3ncc(C)cc3C2)c(C)s1 ZINC001138569703 1128915220 /nfs/dbraw/zinc/91/52/20/1128915220.db2.gz LEWKBYNWQBEAIW-UHFFFAOYSA-N 0 1 272.417 3.627 20 0 CHADMN COc1cc(CN[C@@H](CC2CC2)c2ccccc2)sn1 ZINC000660195546 1120429857 /nfs/dbraw/zinc/42/98/57/1120429857.db2.gz WECRBTJBGURJPS-HNNXBMFYSA-N 0 1 288.416 3.783 20 0 CHADMN CN(C)Cc1cccc(-c2ccnc(C(F)(F)F)c2)c1F ZINC001240341126 1120430065 /nfs/dbraw/zinc/43/00/65/1120430065.db2.gz MEZWUKYVNRQOMS-UHFFFAOYSA-N 0 1 298.283 3.968 20 0 CHADMN Cc1ccnc(CN2CCS[C@@H](c3ccccc3)C2)c1 ZINC000683010069 1120433892 /nfs/dbraw/zinc/43/38/92/1120433892.db2.gz VUTSCEXCNQVRHL-QGZVFWFLSA-N 0 1 284.428 3.680 20 0 CHADMN c1cncc(CN(CCOC2CCCCCC2)C2CC2)c1 ZINC000357387642 1120434062 /nfs/dbraw/zinc/43/40/62/1120434062.db2.gz IWPYPODGYKCVPF-UHFFFAOYSA-N 0 1 288.435 3.785 20 0 CHADMN CCCCc1cc(=O)n(-c2nc3ccccc3s2)[nH]1 ZINC000634585888 1128915918 /nfs/dbraw/zinc/91/59/18/1128915918.db2.gz UWSMNSWTBOBRQW-UHFFFAOYSA-N 0 1 273.361 3.579 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](C)c2c(F)cccc2Cl)n[nH]1 ZINC000660199960 1120435728 /nfs/dbraw/zinc/43/57/28/1120435728.db2.gz DYIMBLBWBUIWBA-IUCAKERBSA-N 0 1 296.777 3.571 20 0 CHADMN Cc1ccc(OC[C@H](C)N[C@@H](C)c2cscn2)cc1 ZINC000162396964 1120439546 /nfs/dbraw/zinc/43/95/46/1120439546.db2.gz LEMLCKTUDYJIOA-STQMWFEESA-N 0 1 276.405 3.570 20 0 CHADMN CC(C)[C@@H](N[C@@H]1COCc2ccccc21)c1cccnc1 ZINC000417371352 1120439699 /nfs/dbraw/zinc/43/96/99/1120439699.db2.gz VJFLEYSYDCJOQI-QZTJIDSGSA-N 0 1 282.387 3.640 20 0 CHADMN Cc1ccc(CCCN2CCn3cccc3[C@H]2C)cc1 ZINC000543139034 1120440958 /nfs/dbraw/zinc/44/09/58/1120440958.db2.gz QEFJZYMYFAXTNH-MRXNPFEDSA-N 0 1 268.404 3.806 20 0 CHADMN COC[C@@H]1CCCCN(c2ccnc3cc(F)ccc32)C1 ZINC000364130063 1120448081 /nfs/dbraw/zinc/44/80/81/1120448081.db2.gz VFKPMMNTYNFNKQ-CYBMUJFWSA-N 0 1 288.366 3.627 20 0 CHADMN COc1cc(CN[C@H](CC2CCC2)c2ccccc2)on1 ZINC000660219620 1120449328 /nfs/dbraw/zinc/44/93/28/1120449328.db2.gz DNFICKVXWICEKR-MRXNPFEDSA-N 0 1 286.375 3.704 20 0 CHADMN CC(C)(C)c1coc(CNC[C@@H]2CC23CCSCC3)n1 ZINC000922192275 1120456945 /nfs/dbraw/zinc/45/69/45/1120456945.db2.gz RIEPUUMPCUICAZ-LBPRGKRZSA-N 0 1 294.464 3.595 20 0 CHADMN CSCc1ccc(CN[C@H]2COCc3ccccc32)cc1 ZINC000922190346 1120458017 /nfs/dbraw/zinc/45/80/17/1120458017.db2.gz JKWIKSAMKYHPMW-SFHVURJKSA-N 0 1 299.439 3.911 20 0 CHADMN CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000584830832 1120459132 /nfs/dbraw/zinc/45/91/32/1120459132.db2.gz RWHCDXDZGHXXGQ-LBPRGKRZSA-N 0 1 291.778 3.821 20 0 CHADMN CC(C)(C)[C@H]1CCCN1Cc1cncc(Br)c1 ZINC000543206373 1120464352 /nfs/dbraw/zinc/46/43/52/1120464352.db2.gz VPCNCCLLBUJXMZ-CYBMUJFWSA-N 0 1 297.240 3.855 20 0 CHADMN C[C@@H]1CCCC[C@@H]1NCc1ncsc1Br ZINC000660255883 1120467930 /nfs/dbraw/zinc/46/79/30/1120467930.db2.gz AXLDLBXJZREQMU-BDAKNGLRSA-N 0 1 289.242 3.574 20 0 CHADMN Fc1cc(CN2CC(C3CCC3)C2)ccc1OC(F)F ZINC000584866949 1120473003 /nfs/dbraw/zinc/47/30/03/1120473003.db2.gz YPCXJKLNLHWCJC-UHFFFAOYSA-N 0 1 285.309 3.659 20 0 CHADMN CC(C)(C)c1coc(CNCC[C@@]2(C)C[C@]2(F)Cl)n1 ZINC000922216787 1120473303 /nfs/dbraw/zinc/47/33/03/1120473303.db2.gz WWHBSAHCHZBMQB-UONOGXRCSA-N 0 1 288.794 3.766 20 0 CHADMN CO[C@@H](CNC(C)(C)c1ncc(C)s1)C1CCCCC1 ZINC000660262241 1120473458 /nfs/dbraw/zinc/47/34/58/1120473458.db2.gz DWXIKOCNEFPMED-AWEZNQCLSA-N 0 1 296.480 3.872 20 0 CHADMN CCn1cncc1CN([C@@H](C)c1ccccc1)C1CC1 ZINC000417701680 1120474014 /nfs/dbraw/zinc/47/40/14/1120474014.db2.gz MVGILGICQAWDMS-AWEZNQCLSA-N 0 1 269.392 3.629 20 0 CHADMN C[C@H](NCc1ncsc1Br)C1CCCC1 ZINC000660267254 1120474307 /nfs/dbraw/zinc/47/43/07/1120474307.db2.gz LUZBPJBMPBQMFJ-QMMMGPOBSA-N 0 1 289.242 3.574 20 0 CHADMN COc1cc(CNC2(c3ccc(F)cc3)CC2)ccc1C ZINC000584878923 1120476282 /nfs/dbraw/zinc/47/62/82/1120476282.db2.gz HAYYQIKFOUJGEI-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN Cc1noc(C)c1CN(C)Cc1c(C)cc(C)cc1C ZINC000053350817 1120479597 /nfs/dbraw/zinc/47/95/97/1120479597.db2.gz HZDRUXSOCWGPPX-UHFFFAOYSA-N 0 1 272.392 3.849 20 0 CHADMN Cc1nnc([C@@H](C)NCC[C@@H]2CCc3ccccc32)s1 ZINC000660280115 1120480477 /nfs/dbraw/zinc/48/04/77/1120480477.db2.gz MTGKHBAVRRSVCG-RISCZKNCSA-N 0 1 287.432 3.617 20 0 CHADMN c1csc([C@H](Cc2ccccc2)NCc2cc[nH]n2)c1 ZINC000116923260 1120485982 /nfs/dbraw/zinc/48/59/82/1120485982.db2.gz QHVXQQYXSKLWAS-HNNXBMFYSA-N 0 1 283.400 3.545 20 0 CHADMN Cc1cc(Cl)ccc1CN1CC[C@@H]2CCCO[C@@H]2C1 ZINC001141230664 1120498156 /nfs/dbraw/zinc/49/81/56/1120498156.db2.gz HVMQXRDBNKNMPH-XJKSGUPXSA-N 0 1 279.811 3.649 20 0 CHADMN CCn1cncc1CN[C@H](c1ccccc1F)C(C)C ZINC000657614200 1120501441 /nfs/dbraw/zinc/50/14/41/1120501441.db2.gz IULKZVBPCVOECX-INIZCTEOSA-N 0 1 275.371 3.529 20 0 CHADMN Cc1nccc(NCc2ccc(F)c(F)c2)c1Cl ZINC000310938083 1120501495 /nfs/dbraw/zinc/50/14/95/1120501495.db2.gz VZENDMCOHHGFEF-UHFFFAOYSA-N 0 1 268.694 3.934 20 0 CHADMN O=c1cc(C2CCC2)[nH]n1Cc1cccc(C(F)(F)F)c1 ZINC000634591056 1128920642 /nfs/dbraw/zinc/92/06/42/1128920642.db2.gz RVRKCUFTMJWICR-UHFFFAOYSA-N 0 1 296.292 3.594 20 0 CHADMN CCn1cncc1CN[C@@H](C)c1cc2cccc(F)c2o1 ZINC000418020320 1120505107 /nfs/dbraw/zinc/50/51/07/1120505107.db2.gz ZMKSCCHEYFGVNR-NSHDSACASA-N 0 1 287.338 3.639 20 0 CHADMN CCn1cncc1CN[C@H](C)c1cc2cccc(F)c2o1 ZINC000418020319 1120505512 /nfs/dbraw/zinc/50/55/12/1120505512.db2.gz ZMKSCCHEYFGVNR-LLVKDONJSA-N 0 1 287.338 3.639 20 0 CHADMN Cc1cc([C@@H](N[C@H](C)c2cn(C)cn2)C2CC2)ccc1F ZINC000925643327 1120506508 /nfs/dbraw/zinc/50/65/08/1120506508.db2.gz IENAREAGSHTGQU-PXAZEXFGSA-N 0 1 287.382 3.670 20 0 CHADMN CCn1cncc1CN(C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000418037488 1120509272 /nfs/dbraw/zinc/50/92/72/1120509272.db2.gz XNFFVPGZVFOADG-QGZVFWFLSA-N 0 1 289.398 3.871 20 0 CHADMN CN(Cc1c(F)cccc1F)C[C@H]1CC=CCC1 ZINC000543413116 1120515194 /nfs/dbraw/zinc/51/51/94/1120515194.db2.gz XHFKNVWHCWLWHK-LBPRGKRZSA-N 0 1 251.320 3.753 20 0 CHADMN Cn1cc(CNc2ccc3c[nH]nc3c2)c(C2CCCC2)n1 ZINC000922332598 1120515921 /nfs/dbraw/zinc/51/59/21/1120515921.db2.gz OJZALWFVCNHYMC-UHFFFAOYSA-N 0 1 295.390 3.566 20 0 CHADMN CCc1nc(CN2C[C@H](C)C[C@H](C)[C@H]2C)cs1 ZINC000355071026 1120521774 /nfs/dbraw/zinc/52/17/74/1120521774.db2.gz AVVSOHRLRARXAP-GRYCIOLGSA-N 0 1 252.427 3.572 20 0 CHADMN COc1nscc1CN[C@@H](c1ccccc1C)C(C)C ZINC001168724591 1120524567 /nfs/dbraw/zinc/52/45/67/1120524567.db2.gz YOUIXLSLHVRCRX-OAHLLOKOSA-N 0 1 290.432 3.947 20 0 CHADMN Cc1cnc(CN[C@@H]2CCCc3c(C)cccc32)s1 ZINC000657797258 1120524649 /nfs/dbraw/zinc/52/46/49/1120524649.db2.gz JFIVDSPLMDQENJ-OAHLLOKOSA-N 0 1 272.417 3.927 20 0 CHADMN CCCc1nc(CN[C@@H]2C[C@H](C)CC[C@H]2C(C)C)no1 ZINC000543473027 1120530072 /nfs/dbraw/zinc/53/00/72/1120530072.db2.gz SLAZWNGZXFMAIR-HZSPNIEDSA-N 0 1 279.428 3.573 20 0 CHADMN Fc1ccc2nc(CN[C@H]3C=CCCC3)sc2c1 ZINC000428863711 1120543299 /nfs/dbraw/zinc/54/32/99/1120543299.db2.gz RCYXFXVKGKDEDT-NSHDSACASA-N 0 1 262.353 3.634 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccn2)C2CC2)c(C)o1 ZINC000922584244 1120556852 /nfs/dbraw/zinc/55/68/52/1120556852.db2.gz FPMWUCKVKDGBDH-MRXNPFEDSA-N 0 1 256.349 3.532 20 0 CHADMN CCOc1ccc(CN[C@@H](c2ccccn2)C2CC2)cc1 ZINC000922586665 1120558081 /nfs/dbraw/zinc/55/80/81/1120558081.db2.gz ZAZUSWHIGIRXQJ-GOSISDBHSA-N 0 1 282.387 3.721 20 0 CHADMN c1ccc([C@@H](NCc2cnc3ccccc3c2)C2CC2)nc1 ZINC000922587307 1120558358 /nfs/dbraw/zinc/55/83/58/1120558358.db2.gz YYZRNSDEYUUQPD-IBGZPJMESA-N 0 1 289.382 3.871 20 0 CHADMN Cc1cc(CN[C@H](c2ccccn2)C2CC2)ccc1F ZINC000922585901 1120558622 /nfs/dbraw/zinc/55/86/22/1120558622.db2.gz ITRPNEIWKOVZJA-KRWDZBQOSA-N 0 1 270.351 3.770 20 0 CHADMN C[C@@H](CCCC(F)(F)F)N[C@@H]1CCCC1(F)F ZINC000398038537 1120559604 /nfs/dbraw/zinc/55/96/04/1120559604.db2.gz QVQQMUJVPFJMPN-DTWKUNHWSA-N 0 1 259.262 3.885 20 0 CHADMN CCCNc1ccc(CNCc2ccc(C)o2)cc1 ZINC000193156678 1120566037 /nfs/dbraw/zinc/56/60/37/1120566037.db2.gz NWVJHPUVXNGHDC-UHFFFAOYSA-N 0 1 258.365 3.700 20 0 CHADMN Cn1cnc(CN[C@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000673601591 1120569795 /nfs/dbraw/zinc/56/97/95/1120569795.db2.gz LONUUAVCYWFDGJ-INIZCTEOSA-N 0 1 289.810 3.705 20 0 CHADMN CC(C)(/C=C/Cl)NCc1nccc2c1CCCC2 ZINC000922644431 1120570222 /nfs/dbraw/zinc/57/02/22/1120570222.db2.gz IFVVBHFRUDFXJH-CMDGGOBGSA-N 0 1 264.800 3.581 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1ccnn1CC1CC1 ZINC000922671036 1120576325 /nfs/dbraw/zinc/57/63/25/1120576325.db2.gz XADYPBAYZQSQEB-ZDUSSCGKSA-N 0 1 287.382 3.591 20 0 CHADMN CCc1cc(CN[C@@H](C)c2oc3ccccc3c2C)n[nH]1 ZINC000765995339 1120578297 /nfs/dbraw/zinc/57/82/97/1120578297.db2.gz UTPSRLLLZCJUCP-LBPRGKRZSA-N 0 1 283.375 3.878 20 0 CHADMN CCc1cc(CN[C@@H](C)c2oc3ccccc3c2C)[nH]n1 ZINC000765995339 1120578299 /nfs/dbraw/zinc/57/82/99/1120578299.db2.gz UTPSRLLLZCJUCP-LBPRGKRZSA-N 0 1 283.375 3.878 20 0 CHADMN C[C@@H]1CCSCCN1Cc1nsc2ccccc21 ZINC000660402274 1120582358 /nfs/dbraw/zinc/58/23/58/1120582358.db2.gz FGFOPSXOHDWYJK-LLVKDONJSA-N 0 1 278.446 3.624 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@H](C)c1cccc(O)c1 ZINC000020096896 1120584340 /nfs/dbraw/zinc/58/43/40/1120584340.db2.gz YIMFJLWIEBSCKC-CHWSQXEVSA-N 0 1 271.360 3.813 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3nnc(C(C)C)[nH]3)C2)cc1 ZINC000428964649 1120589180 /nfs/dbraw/zinc/58/91/80/1120589180.db2.gz RJUUKXXZYGUJFS-GOEBONIOSA-N 0 1 298.434 3.615 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)N(Cc3nnc(C(C)C)[nH]3)C2)cc1 ZINC000428964649 1120589184 /nfs/dbraw/zinc/58/91/84/1120589184.db2.gz RJUUKXXZYGUJFS-GOEBONIOSA-N 0 1 298.434 3.615 20 0 CHADMN c1ccc2cc(CCNc3cccc4[nH]nnc43)ccc2c1 ZINC001168733750 1120589712 /nfs/dbraw/zinc/58/97/12/1120589712.db2.gz PXXLWPOUYGYPIA-UHFFFAOYSA-N 0 1 288.354 3.766 20 0 CHADMN C[C@H](c1ccccn1)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000182064395 1128927122 /nfs/dbraw/zinc/92/71/22/1128927122.db2.gz FZOBPNAZWRYHHG-LLVKDONJSA-N 0 1 276.767 3.634 20 0 CHADMN C[C@H](c1ccccn1)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000182064395 1128927125 /nfs/dbraw/zinc/92/71/25/1128927125.db2.gz FZOBPNAZWRYHHG-LLVKDONJSA-N 0 1 276.767 3.634 20 0 CHADMN C[C@H]1C[C@H](NCc2ncc(C(F)(F)F)s2)CCS1 ZINC000922835987 1120606762 /nfs/dbraw/zinc/60/67/62/1120606762.db2.gz HEGIIFZMQXIVRN-JGVFFNPUSA-N 0 1 296.383 3.536 20 0 CHADMN C[C@@]1(F)CCCN(Cc2ccc(F)c3ccoc32)C1 ZINC001236891349 1128927918 /nfs/dbraw/zinc/92/79/18/1128927918.db2.gz SQSBMRYGXJHMBO-OAHLLOKOSA-N 0 1 265.303 3.896 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@H]1CCc2cc(C)ccc21 ZINC000766001124 1120608577 /nfs/dbraw/zinc/60/85/77/1120608577.db2.gz GFRTVIULTLXCJT-ZBEGNZNMSA-N 0 1 270.376 3.938 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccc(C(C)(C)O)cc2)s1 ZINC000186614072 1120624797 /nfs/dbraw/zinc/62/47/97/1120624797.db2.gz NCSJQTONNRYDMX-NSHDSACASA-N 0 1 290.432 3.530 20 0 CHADMN CCOCCN1CCCC[C@H]1c1ccc(F)cc1F ZINC000432014562 1120625831 /nfs/dbraw/zinc/62/58/31/1120625831.db2.gz PDTBKLUHOJCXLJ-HNNXBMFYSA-N 0 1 269.335 3.528 20 0 CHADMN CCC[C@H]1CCCCN1Cc1cccc(Br)n1 ZINC000310095925 1120635153 /nfs/dbraw/zinc/63/51/53/1120635153.db2.gz AIZWPGZBJOAWIS-ZDUSSCGKSA-N 0 1 297.240 3.999 20 0 CHADMN CC[C@H](C)CN(C)Cc1coc(-c2ccccc2F)n1 ZINC000625160132 1120641071 /nfs/dbraw/zinc/64/10/71/1120641071.db2.gz ZEJWBJUJNQJKHK-LBPRGKRZSA-N 0 1 276.355 3.959 20 0 CHADMN COc1ccc(/C=C\c2ccc([C@H]3COCCN3)cc2)cc1 ZINC000629730595 1128930281 /nfs/dbraw/zinc/93/02/81/1128930281.db2.gz NKEJQNRGSAVGMC-FFPCURRISA-N 0 1 295.382 3.527 20 0 CHADMN CC(C)CCN1Cc2cccc(NC(=O)C34CC(C3)C4)c2C1 ZINC000625213617 1120648666 /nfs/dbraw/zinc/64/86/66/1120648666.db2.gz MMLXWHGKNOXVNV-UHFFFAOYSA-N 0 1 298.430 3.787 20 0 CHADMN Cc1nc(CN2C[C@@H](C)CC[C@@H]2c2ccccc2)co1 ZINC000660538754 1120654290 /nfs/dbraw/zinc/65/42/90/1120654290.db2.gz IDQLEUIOCSUIGD-SUMWQHHRSA-N 0 1 270.376 3.956 20 0 CHADMN C[C@@H](N[C@@H]1C[C@@H]1c1ccccc1)c1c(F)cncc1F ZINC000660552848 1120657094 /nfs/dbraw/zinc/65/70/94/1120657094.db2.gz VEBAFYFVBSKHNU-IXPVHAAZSA-N 0 1 274.314 3.567 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2nc(C)no2)CC[C@H]1c1ccccc1 ZINC000673755149 1120669062 /nfs/dbraw/zinc/66/90/62/1120669062.db2.gz UKUUYDRRFHZTCH-FRFSOERESA-N 0 1 299.418 3.955 20 0 CHADMN Cc1nc([C@@](C)(NC[C@H]2CCCCC2(C)C)C2CC2)no1 ZINC000660632807 1120671009 /nfs/dbraw/zinc/67/10/09/1120671009.db2.gz RBSQAGQBDVDRQO-PBHICJAKSA-N 0 1 291.439 3.809 20 0 CHADMN Cc1cc(Br)c(CNCc2ccncc2)s1 ZINC000651586437 1120671557 /nfs/dbraw/zinc/67/15/57/1120671557.db2.gz HSMFIQZAEWBNPF-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN S=C1N=CC(c2ccc(NC(C3CC3)C3CC3)cc2)N1 ZINC001168743878 1120680350 /nfs/dbraw/zinc/68/03/50/1120680350.db2.gz OYRIULNOBOGPSW-UHFFFAOYSA-N 0 1 285.416 3.966 20 0 CHADMN Clc1ccc2ncc(CN3CCC[C@H]4CCC[C@@H]43)n2c1 ZINC000511872698 1120681811 /nfs/dbraw/zinc/68/18/11/1120681811.db2.gz IZXRHEJMUDJRBF-DOMZBBRYSA-N 0 1 289.810 3.752 20 0 CHADMN Clc1cccnc1CN1CCSC2(CCC2)CC1 ZINC000625468834 1120687370 /nfs/dbraw/zinc/68/73/70/1120687370.db2.gz FZYZIRDSDCHHAJ-UHFFFAOYSA-N 0 1 282.840 3.597 20 0 CHADMN CSc1ccccc1-c1ccc([C@@H]2COCCN2)cc1 ZINC000629752152 1128933405 /nfs/dbraw/zinc/93/34/05/1128933405.db2.gz UBRCVQJSHPSPMM-INIZCTEOSA-N 0 1 285.412 3.736 20 0 CHADMN C[C@@H](NCc1ccc2c(n1)CCCC2)c1cccc(O)c1 ZINC000282462197 1120690483 /nfs/dbraw/zinc/69/04/83/1120690483.db2.gz VRMLSGYPEDLNIS-CYBMUJFWSA-N 0 1 282.387 3.517 20 0 CHADMN CSc1ccccc1-c1cccc([C@@H]2COCCN2)c1 ZINC000629750554 1128933688 /nfs/dbraw/zinc/93/36/88/1128933688.db2.gz KNVCWORCQIXASQ-INIZCTEOSA-N 0 1 285.412 3.736 20 0 CHADMN c1cc(-c2ccc(OC3CC3)cc2)cc([C@@H]2COCCN2)c1 ZINC000629754920 1128933805 /nfs/dbraw/zinc/93/38/05/1128933805.db2.gz PGQLZDMTBNIAIV-IBGZPJMESA-N 0 1 295.382 3.556 20 0 CHADMN CCCC1CCC(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC000629771246 1128934221 /nfs/dbraw/zinc/93/42/21/1128934221.db2.gz GPYPXIWDMLXKKZ-PRLABOORSA-N 0 1 281.440 3.636 20 0 CHADMN Cc1ccc(CN(Cc2cn(C)cn2)CC(C)C)c(C)c1 ZINC000660901353 1120698289 /nfs/dbraw/zinc/69/82/89/1120698289.db2.gz MMXIVFQODZSCBE-UHFFFAOYSA-N 0 1 285.435 3.695 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@@H]1NCc1ccc2cnccc2c1 ZINC000673950626 1120699742 /nfs/dbraw/zinc/69/97/42/1120699742.db2.gz YLBPUOZQGVYIQD-ORAYPTAESA-N 0 1 290.366 3.847 20 0 CHADMN Clc1ccc(C2(N[C@@H]3CCCc4n[nH]cc43)CC2)cc1 ZINC000334456314 1120701547 /nfs/dbraw/zinc/70/15/47/1120701547.db2.gz YTFMGLKXGSSHSM-CQSZACIVSA-N 0 1 287.794 3.719 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N2C[C@@H]3CCCC[C@@H]32)c(C)c1 ZINC000660928269 1120702703 /nfs/dbraw/zinc/70/27/03/1120702703.db2.gz LXTJYOSQHJHBDD-VYDXJSESSA-N 0 1 286.419 3.505 20 0 CHADMN Cc1noc([C@H](C)N(C)C[C@@H]2CC[C@@H](c3ccccc3)C2)n1 ZINC000660925375 1120703414 /nfs/dbraw/zinc/70/34/14/1120703414.db2.gz BEFINUVMHWWMBI-YSVLISHTSA-N 0 1 299.418 3.955 20 0 CHADMN Cc1noc([C@@H](C)N(C)C[C@H]2CCCCC2(C)C)n1 ZINC000660926924 1120703533 /nfs/dbraw/zinc/70/35/33/1120703533.db2.gz ULMOBASVBXEIQG-DGCLKSJQSA-N 0 1 265.401 3.587 20 0 CHADMN Cc1noc([C@@H](C)N(C)C[C@@H]2CC[C@@H](c3ccccc3)C2)n1 ZINC000660925374 1120703729 /nfs/dbraw/zinc/70/37/29/1120703729.db2.gz BEFINUVMHWWMBI-FRFSOERESA-N 0 1 299.418 3.955 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)N2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660932432 1120704327 /nfs/dbraw/zinc/70/43/27/1120704327.db2.gz UJFHGRMGIKVVPQ-YCPHGPKFSA-N 0 1 297.402 3.980 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)N1C[C@@H]2CCCC[C@@H]21 ZINC000660933869 1120704926 /nfs/dbraw/zinc/70/49/26/1120704926.db2.gz ZRSKIJWCUIHTIC-OBJOEFQTSA-N 0 1 256.349 3.763 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660932429 1120705080 /nfs/dbraw/zinc/70/50/80/1120705080.db2.gz UJFHGRMGIKVVPQ-DZKIICNBSA-N 0 1 297.402 3.980 20 0 CHADMN CCc1cnc(CN[C@H]2CCCC23CCCCC3)o1 ZINC000313119720 1120712555 /nfs/dbraw/zinc/71/25/55/1120712555.db2.gz QSVCVDQGOHRUKF-AWEZNQCLSA-N 0 1 262.397 3.830 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@@H](C)C[C@H](C)C1 ZINC000253555022 1128935183 /nfs/dbraw/zinc/93/51/83/1128935183.db2.gz AGZDRFGBRNXSKC-HZSPNIEDSA-N 0 1 299.418 3.764 20 0 CHADMN CN(Cc1cnc[nH]1)Cc1nc(C2CCCCC2)cs1 ZINC000661089559 1120715078 /nfs/dbraw/zinc/71/50/78/1120715078.db2.gz CGUCDCOJXWOAEZ-UHFFFAOYSA-N 0 1 290.436 3.546 20 0 CHADMN CC[C@H](C)[N@@H+](CC)Cc1nc(-c2ccccc2C)no1 ZINC000661106776 1120715512 /nfs/dbraw/zinc/71/55/12/1120715512.db2.gz OWXVIFOARLPIEO-ZDUSSCGKSA-N 0 1 273.380 3.665 20 0 CHADMN CC[C@H](C)N(CC)Cc1nc(-c2ccccc2C)no1 ZINC000661106776 1120715517 /nfs/dbraw/zinc/71/55/17/1120715517.db2.gz OWXVIFOARLPIEO-ZDUSSCGKSA-N 0 1 273.380 3.665 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1c[nH]cn1)c1ccc(C(F)(F)F)cc1 ZINC000661091474 1120716092 /nfs/dbraw/zinc/71/60/92/1120716092.db2.gz ZETSEHFXAKIDCO-NSHDSACASA-N 0 1 297.324 3.664 20 0 CHADMN COC[C@H](CC(C)(C)C)N[C@@H](C)c1csc(C)n1 ZINC000651702002 1120716204 /nfs/dbraw/zinc/71/62/04/1120716204.db2.gz HMTUJNKRAAKQQS-JQWIXIFHSA-N 0 1 270.442 3.553 20 0 CHADMN CCc1noc([C@H](C)N[C@@H]2CCCC23CCCCC3)n1 ZINC000661126892 1120721735 /nfs/dbraw/zinc/72/17/35/1120721735.db2.gz ALAKXHBSQVZVNM-QWHCGFSZSA-N 0 1 277.412 3.786 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](COC)CC(C)(C)C)cs1 ZINC000651717054 1120721889 /nfs/dbraw/zinc/72/18/89/1120721889.db2.gz QVAWQRKAUHJGGS-NEPJUHHUSA-N 0 1 284.469 3.807 20 0 CHADMN CCc1ccc(CN2CCC(c3ccco3)CC2)nc1 ZINC000661161008 1120729329 /nfs/dbraw/zinc/72/93/29/1120729329.db2.gz JKADETAANHRXJA-UHFFFAOYSA-N 0 1 270.376 3.617 20 0 CHADMN CCc1noc(C)c1CN1CCC(c2ccco2)CC1 ZINC000661162134 1120729343 /nfs/dbraw/zinc/72/93/43/1120729343.db2.gz IHNAVBWKBTXDQT-UHFFFAOYSA-N 0 1 274.364 3.518 20 0 CHADMN C[C@@]1(Cc2ccccc2Cl)CCCN1Cc1ccon1 ZINC000661211947 1120739453 /nfs/dbraw/zinc/73/94/53/1120739453.db2.gz YSFPUIRTJZQNFJ-INIZCTEOSA-N 0 1 290.794 3.925 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cc2cnccc2o1 ZINC000651766851 1120739690 /nfs/dbraw/zinc/73/96/90/1120739690.db2.gz WYANXHWIBGHCSF-GWCFXTLKSA-N 0 1 298.308 3.991 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1cc2cnccc2o1 ZINC000651766851 1120739696 /nfs/dbraw/zinc/73/96/96/1120739696.db2.gz WYANXHWIBGHCSF-GWCFXTLKSA-N 0 1 298.308 3.991 20 0 CHADMN CC(C)c1nnc(C[N@H+]2CCCC3(CCCC3)CC2)o1 ZINC000661228329 1120741442 /nfs/dbraw/zinc/74/14/42/1120741442.db2.gz QJTKRTCQMXDNCH-UHFFFAOYSA-N 0 1 277.412 3.739 20 0 CHADMN CC(C)c1nnc(CN2CCCC3(CCCC3)CC2)o1 ZINC000661228329 1120741444 /nfs/dbraw/zinc/74/14/44/1120741444.db2.gz QJTKRTCQMXDNCH-UHFFFAOYSA-N 0 1 277.412 3.739 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1noc(-c2ccsc2)n1 ZINC000661234930 1120742584 /nfs/dbraw/zinc/74/25/84/1120742584.db2.gz QBYKAQJJKRIRGX-JTQLQIEISA-N 0 1 279.409 3.712 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1nc(-c2ccccc2C)no1 ZINC000661234667 1120743041 /nfs/dbraw/zinc/74/30/41/1120743041.db2.gz JCGAVMADCXPUGG-CYBMUJFWSA-N 0 1 287.407 3.959 20 0 CHADMN Cc1nc(CN2CCC(C3CCC3)CC2)sc1C ZINC000661373701 1120758575 /nfs/dbraw/zinc/75/85/75/1120758575.db2.gz DUEMXFGCZJVZJV-UHFFFAOYSA-N 0 1 264.438 3.772 20 0 CHADMN C[C@@H](NCC/C=C/c1ccccc1)c1cscn1 ZINC000661414096 1120763138 /nfs/dbraw/zinc/76/31/38/1120763138.db2.gz KBQWVIQMEFHBAT-OMDQHUAHSA-N 0 1 258.390 3.897 20 0 CHADMN CC1(C)C[C@H](N2CC3(CCCC3)[C@H]2c2ccco2)CO1 ZINC000661436887 1120764013 /nfs/dbraw/zinc/76/40/13/1120764013.db2.gz WPMWYVASJFSFDD-DZGCQCFKSA-N 0 1 275.392 3.764 20 0 CHADMN Nc1cccc(CN2CC3(CCCC3)[C@H]2c2ccco2)c1 ZINC000661437129 1120766153 /nfs/dbraw/zinc/76/61/53/1120766153.db2.gz ZILHILSUVOVUPA-QGZVFWFLSA-N 0 1 282.387 3.979 20 0 CHADMN c1coc([C@@H]2N(CCc3cscn3)CC23CCCC3)c1 ZINC000661435444 1120766403 /nfs/dbraw/zinc/76/64/03/1120766403.db2.gz HEAMSGPHWKHZGQ-HNNXBMFYSA-N 0 1 288.416 3.896 20 0 CHADMN C[C@@H]1CC[C@@H](CN2CC3(CCCC3)[C@H]2c2ccco2)O1 ZINC000661437419 1120766809 /nfs/dbraw/zinc/76/68/09/1120766809.db2.gz LNWBLZISIUVGDB-IJEWVQPXSA-N 0 1 275.392 3.764 20 0 CHADMN COc1cc(CN2CCC23CCCC3)cc(Cl)c1OC ZINC000651874292 1120766911 /nfs/dbraw/zinc/76/69/11/1120766911.db2.gz SRGGKNSEBHDQLL-UHFFFAOYSA-N 0 1 295.810 3.876 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cc(O)cc(F)c2)cc1F ZINC000184143784 1120774738 /nfs/dbraw/zinc/77/47/38/1120774738.db2.gz MXSMOTJNPPSPML-LLVKDONJSA-N 0 1 277.314 3.830 20 0 CHADMN CC[C@@H](OCCNCc1ccc(C)o1)c1ccccc1 ZINC000651907951 1120775028 /nfs/dbraw/zinc/77/50/28/1120775028.db2.gz MSYLSGWTJCTRDH-QGZVFWFLSA-N 0 1 273.376 3.846 20 0 CHADMN Cc1ccc(C)c(OCC[N@H+](C)[C@H](C)c2cccnc2)c1 ZINC000093226752 1128939932 /nfs/dbraw/zinc/93/99/32/1128939932.db2.gz IFROIUKMOADAHL-MRXNPFEDSA-N 0 1 284.403 3.770 20 0 CHADMN C(c1nnc(C2CC2)s1)N1CC[C@@H](C2CCCCC2)C1 ZINC000661579003 1120780773 /nfs/dbraw/zinc/78/07/73/1120780773.db2.gz VGKCCCALWYDJSQ-CQSZACIVSA-N 0 1 291.464 3.818 20 0 CHADMN CCOc1ccc(CN[C@H]2CCCc3nc(C)sc32)o1 ZINC000893472908 1120786107 /nfs/dbraw/zinc/78/61/07/1120786107.db2.gz QDPMIOMLRCYWMC-LBPRGKRZSA-N 0 1 292.404 3.610 20 0 CHADMN CCN(Cc1cnc(C2CCCC2)s1)[C@H]1CCCOC1 ZINC000651948465 1120789175 /nfs/dbraw/zinc/78/91/75/1120789175.db2.gz MNCWOZPGCYGFCL-AWEZNQCLSA-N 0 1 294.464 3.802 20 0 CHADMN CCSc1cccc(CN2CCOCC23CCCC3)c1 ZINC000473132264 1120794048 /nfs/dbraw/zinc/79/40/48/1120794048.db2.gz KMQCDGARAPDXJX-UHFFFAOYSA-N 0 1 291.460 3.944 20 0 CHADMN FCC[C@@H]1CCCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000661693560 1120796148 /nfs/dbraw/zinc/79/61/48/1120796148.db2.gz PHCFRIWLOSYOMD-AWEZNQCLSA-N 0 1 279.403 3.570 20 0 CHADMN COC[C@H](CC(C)(C)C)NC1(c2nc(C)cs2)CCC1 ZINC000652176589 1120796385 /nfs/dbraw/zinc/79/63/85/1120796385.db2.gz LCAPMQQSONCTBT-ZDUSSCGKSA-N 0 1 296.480 3.872 20 0 CHADMN COc1cc(CNCc2ccc(C)o2)ccc1OC(C)C ZINC000047889451 1120797978 /nfs/dbraw/zinc/79/79/78/1120797978.db2.gz HFUGNIJFZTTXFA-UHFFFAOYSA-N 0 1 289.375 3.674 20 0 CHADMN Cc1ccc([C@@H](C)N(C)CC(=O)N(C)c2ccccc2)cc1 ZINC000047964558 1120799429 /nfs/dbraw/zinc/79/94/29/1120799429.db2.gz AKGVUMZKVIPHRX-MRXNPFEDSA-N 0 1 296.414 3.651 20 0 CHADMN CC[C@@H](NC(=O)c1n[nH]c2ccccc21)C1CCCCC1 ZINC000111820763 1120805693 /nfs/dbraw/zinc/80/56/93/1120805693.db2.gz FRXSLHHLQJOPHR-CQSZACIVSA-N 0 1 285.391 3.652 20 0 CHADMN CCn1nc(CN2CCC[C@@H]3CCC[C@@H]32)c2ccccc21 ZINC000473146538 1120815524 /nfs/dbraw/zinc/81/55/24/1120815524.db2.gz AIGPJMBNOYEBMI-YOEHRIQHSA-N 0 1 283.419 3.821 20 0 CHADMN CC[C@@H]1CCCCN1CC(=O)Nc1cccc(C)c1C ZINC000048418881 1120818867 /nfs/dbraw/zinc/81/88/67/1120818867.db2.gz HAJYRFCERRNCSH-OAHLLOKOSA-N 0 1 274.408 3.506 20 0 CHADMN CC[C@H]1CCCCN1Cc1nc(-c2ccccc2)no1 ZINC000048418748 1120818891 /nfs/dbraw/zinc/81/88/91/1120818891.db2.gz NDCXMHDLUXHFIR-AWEZNQCLSA-N 0 1 271.364 3.501 20 0 CHADMN OC[C@@H](NCc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000063000426 1120819778 /nfs/dbraw/zinc/81/97/78/1120819778.db2.gz DMGVVGZCXYXBBH-OAHLLOKOSA-N 0 1 296.197 3.817 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(O)cc(F)c1 ZINC000473150043 1120820097 /nfs/dbraw/zinc/82/00/97/1120820097.db2.gz WJJUFUZIKZJCQE-FFSVYQOJSA-N 0 1 263.356 3.684 20 0 CHADMN Fc1ccc(CN2CCC([C@@H]3CCCCO3)CC2)c(F)c1 ZINC000661864294 1120827360 /nfs/dbraw/zinc/82/73/60/1120827360.db2.gz AUAJFRKOKNOVRB-KRWDZBQOSA-N 0 1 295.373 3.746 20 0 CHADMN O[C@@H](CCNc1ccnc2cc(F)ccc21)c1ccccc1 ZINC000078519993 1128943585 /nfs/dbraw/zinc/94/35/85/1128943585.db2.gz YAFCACYPGJWURT-SFHVURJKSA-N 0 1 296.345 3.910 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H]2c2ccc(C)c(C)c2)nn1C ZINC000487367282 1120837359 /nfs/dbraw/zinc/83/73/59/1120837359.db2.gz QGGWXDKDIBSZPW-SFHVURJKSA-N 0 1 283.419 3.682 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccc(C)c(C)c2)nn1C ZINC000487367282 1120837362 /nfs/dbraw/zinc/83/73/62/1120837362.db2.gz QGGWXDKDIBSZPW-SFHVURJKSA-N 0 1 283.419 3.682 20 0 CHADMN CC1(C(=O)Nc2ccc3nc[nH]c3c2)CCCCCC1 ZINC000511900944 1120838916 /nfs/dbraw/zinc/83/89/16/1120838916.db2.gz KUXYWBKGNCXFGT-UHFFFAOYSA-N 0 1 271.364 3.862 20 0 CHADMN CC[N@@H+](CC[C@H](C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000652368593 1120843425 /nfs/dbraw/zinc/84/34/25/1120843425.db2.gz KPFGHDFPLYOLAX-KRWDZBQOSA-N 0 1 289.419 3.900 20 0 CHADMN O=C1CCCC12CCN(Cc1cccc(Cl)c1)CC2 ZINC000661952246 1120845424 /nfs/dbraw/zinc/84/54/24/1120845424.db2.gz CZVLLKCEJUSLPA-UHFFFAOYSA-N 0 1 277.795 3.675 20 0 CHADMN CC(C)OC(=O)[C@@H]1CCCN1CC/C=C/c1ccccc1 ZINC001167785552 1120846905 /nfs/dbraw/zinc/84/69/05/1120846905.db2.gz YGPIPDQTIPRJPM-CEUCYRDJSA-N 0 1 287.403 3.506 20 0 CHADMN CCS[C@H]1CCCCN(Cc2cccc(Cl)n2)C1 ZINC000075739118 1120846998 /nfs/dbraw/zinc/84/69/98/1120846998.db2.gz DZDFNXZWMYCYGW-ZDUSSCGKSA-N 0 1 284.856 3.843 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000661978646 1120850799 /nfs/dbraw/zinc/85/07/99/1120850799.db2.gz PVDVHAFBVNJEOG-VXGBXAGGSA-N 0 1 274.389 3.553 20 0 CHADMN Cc1oc(C[N@@H+](C2CC2)C2CCCCC2)cc1C(=O)[O-] ZINC000652401688 1120854987 /nfs/dbraw/zinc/85/49/87/1120854987.db2.gz XBJMZQGGXOMIAT-UHFFFAOYSA-N 0 1 277.364 3.583 20 0 CHADMN C[C@@H](N[C@H](C)C1CCC(F)CC1)c1nc(C2CC2)no1 ZINC000661999242 1120855394 /nfs/dbraw/zinc/85/53/94/1120855394.db2.gz DYNGIPSZSZRWNC-IXYVEGFRSA-N 0 1 281.375 3.514 20 0 CHADMN C[C@H](c1cccnc1)N(C)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000893541905 1120857848 /nfs/dbraw/zinc/85/78/48/1120857848.db2.gz ZQPOOOJXVCRGRJ-UONOGXRCSA-N 0 1 282.387 3.598 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000652425404 1120860110 /nfs/dbraw/zinc/86/01/10/1120860110.db2.gz QAXXWIFDLWBMMH-CQSZACIVSA-N 0 1 279.355 3.534 20 0 CHADMN CCC(CC)CCCN(C)Cc1nnc(-c2ccco2)o1 ZINC000662037626 1120862265 /nfs/dbraw/zinc/86/22/65/1120862265.db2.gz IROVKQQUJFQMIB-UHFFFAOYSA-N 0 1 291.395 3.978 20 0 CHADMN c1nc(CN2CCC[C@@H](C3CCC3)C2)oc1C1CC1 ZINC000662041459 1120863592 /nfs/dbraw/zinc/86/35/92/1120863592.db2.gz ALNMWEOWVLNRCW-CQSZACIVSA-N 0 1 260.381 3.564 20 0 CHADMN Cc1ccc(C)c(-c2cccc([C@H]3COCCN3)c2)c1 ZINC000630050582 1128945637 /nfs/dbraw/zinc/94/56/37/1128945637.db2.gz CRCPIBDNOTTXNS-GOSISDBHSA-N 0 1 267.372 3.631 20 0 CHADMN COc1ccc2nc(-c3ccc(C)cc3C)[nH]c2c1 ZINC000086576722 1120867148 /nfs/dbraw/zinc/86/71/48/1120867148.db2.gz WHXVRSJSJFEENM-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN Cc1cc(-c2nnc(CNC3(CC(C)C)CC3)o2)c(C)o1 ZINC000662069260 1120868236 /nfs/dbraw/zinc/86/82/36/1120868236.db2.gz GNMCAINLZVXJGR-UHFFFAOYSA-N 0 1 289.379 3.615 20 0 CHADMN O=C([O-])CC[N@H+](Cc1ccc2ccccc2c1)CC1CC1 ZINC000652468647 1120868538 /nfs/dbraw/zinc/86/85/38/1120868538.db2.gz MZIDNTFOODDCTL-UHFFFAOYSA-N 0 1 283.371 3.527 20 0 CHADMN CCC(C)(C)CC[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1 ZINC000652471403 1120869032 /nfs/dbraw/zinc/86/90/32/1120869032.db2.gz FGPPGSSPTLBCJR-UHFFFAOYSA-N 0 1 281.371 3.539 20 0 CHADMN CCCc1nc(CNC2(CC(C)C)CC2)cs1 ZINC000662070607 1120869667 /nfs/dbraw/zinc/86/96/67/1120869667.db2.gz TZXMPPCRCDVZQC-UHFFFAOYSA-N 0 1 252.427 3.764 20 0 CHADMN O=C([O-])C[N@@H+](CC/C=C/c1ccccc1)C1CCCCC1 ZINC000652482242 1120870770 /nfs/dbraw/zinc/87/07/70/1120870770.db2.gz UFQIWKSXKZXIRP-YRNVUSSQSA-N 0 1 287.403 3.809 20 0 CHADMN CC1CCC(C[N@H+]2CCc3cccc(C(=O)[O-])c3C2)CC1 ZINC000652487812 1120872411 /nfs/dbraw/zinc/87/24/11/1120872411.db2.gz SRCWFYIRJMTBFK-UHFFFAOYSA-N 0 1 287.403 3.569 20 0 CHADMN O=C([O-])c1cccc2c1C[N@H+]([C@@H]1C=CCCCCC1)CC2 ZINC000652487808 1120872656 /nfs/dbraw/zinc/87/26/56/1120872656.db2.gz SMMVUUJEMNTIGH-OAHLLOKOSA-N 0 1 285.387 3.632 20 0 CHADMN Cc1ccc([C@@H]2COCCN2C[C@H](C)c2ccccc2)o1 ZINC000247162880 1120875737 /nfs/dbraw/zinc/87/57/37/1120875737.db2.gz QNUKDMNEIVERMV-YOEHRIQHSA-N 0 1 285.387 3.765 20 0 CHADMN C[C@@H](NCc1nnc(-c2cccc(Cl)c2)o1)C(C)(C)C ZINC000114474622 1120875762 /nfs/dbraw/zinc/87/57/62/1120875762.db2.gz WOLDINGYWMWFMX-SNVBAGLBSA-N 0 1 293.798 3.914 20 0 CHADMN C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000248482955 1120877520 /nfs/dbraw/zinc/87/75/20/1120877520.db2.gz CKTUGWPFNKILLY-IUIKQTSFSA-N 0 1 297.826 3.637 20 0 CHADMN CCCC[C@H](CC)C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000251339052 1120882878 /nfs/dbraw/zinc/88/28/78/1120882878.db2.gz MDVQVZGCZBSZIA-VGWMRTNUSA-N 0 1 281.440 3.921 20 0 CHADMN CC(C)c1noc(CN2CCCC[C@@H]2CC2CCC2)n1 ZINC000662154657 1120886590 /nfs/dbraw/zinc/88/65/90/1120886590.db2.gz BWYSRCHJLPDFLU-CQSZACIVSA-N 0 1 277.412 3.738 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1ccc(F)cc1 ZINC000115174015 1120887088 /nfs/dbraw/zinc/88/70/88/1120887088.db2.gz RDCGFYAVRNADGQ-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN CCCCC[C@@H]1CCCCN1Cc1ncc(C)o1 ZINC000662157072 1120887122 /nfs/dbraw/zinc/88/71/22/1120887122.db2.gz STNLHZRTDTZYGG-CQSZACIVSA-N 0 1 250.386 3.918 20 0 CHADMN Cc1cc(CN2CC=C(c3ccc(C)cc3)CC2)on1 ZINC000053813683 1120890577 /nfs/dbraw/zinc/89/05/77/1120890577.db2.gz YHJORWAZTRARCN-UHFFFAOYSA-N 0 1 268.360 3.581 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N(CCC1CC1)CC1CC1 ZINC000662180889 1120891434 /nfs/dbraw/zinc/89/14/34/1120891434.db2.gz QRCSQHKIVSOGOO-LBPRGKRZSA-N 0 1 291.439 3.940 20 0 CHADMN CN(Cc1ccncc1Cl)C[C@@H]1CCc2ccccc21 ZINC000662198489 1120896385 /nfs/dbraw/zinc/89/63/85/1120896385.db2.gz SMOGSUGJMVOBMJ-AWEZNQCLSA-N 0 1 286.806 3.897 20 0 CHADMN c1ccc(C[C@@H]2CCC[C@@H]2c2nc([C@@H]3CCCN3)no2)cc1 ZINC000663252083 1120900557 /nfs/dbraw/zinc/90/05/57/1120900557.db2.gz YPDVIPJUDKSLGC-JYJNAYRXSA-N 0 1 297.402 3.621 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@]2(c3ccccc3)CC2(C)C)n1 ZINC000663251973 1120900607 /nfs/dbraw/zinc/90/06/07/1120900607.db2.gz ZYYIPHPZTVDJTK-KSSFIOAISA-N 0 1 299.418 3.832 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN(C)CCC(C)C ZINC000613878310 1120904086 /nfs/dbraw/zinc/90/40/86/1120904086.db2.gz SSPNXKJVAALLMX-UHFFFAOYSA-N 0 1 282.815 3.565 20 0 CHADMN CC(C)c1cccc(C[N@@H+]2[C@H](C)[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000662227549 1120906500 /nfs/dbraw/zinc/90/65/00/1120906500.db2.gz VFJQXZSUMTXUME-JJRVBVJISA-N 0 1 289.419 3.884 20 0 CHADMN Cc1ccc(C[N@@H+](C)CC2=CCSC2)c(Cl)c1 ZINC000662266720 1120913950 /nfs/dbraw/zinc/91/39/50/1120913950.db2.gz LMQDVLGXCLWKMJ-UHFFFAOYSA-N 0 1 267.825 3.753 20 0 CHADMN Cc1ccc(CN(C)CC2=CCSC2)c(Cl)c1 ZINC000662266720 1120913954 /nfs/dbraw/zinc/91/39/54/1120913954.db2.gz LMQDVLGXCLWKMJ-UHFFFAOYSA-N 0 1 267.825 3.753 20 0 CHADMN CC(C)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000613884773 1120916802 /nfs/dbraw/zinc/91/68/02/1120916802.db2.gz HQSOYSUTLPBTFV-UHFFFAOYSA-N 0 1 297.333 3.964 20 0 CHADMN C[C@H](NCCOCCF)c1cc(Cl)ccc1Cl ZINC000663310928 1120921023 /nfs/dbraw/zinc/92/10/23/1120921023.db2.gz OCLDFKUODNNQBC-VIFPVBQESA-N 0 1 280.170 3.630 20 0 CHADMN Cc1cc(CNCc2cnc(F)c(C)c2)ccc1Cl ZINC000893568426 1120925973 /nfs/dbraw/zinc/92/59/73/1120925973.db2.gz HSLMIOKDMAYLPS-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN COCC1(NCc2csc(C(C)C)n2)CCCCC1 ZINC000662339395 1120928002 /nfs/dbraw/zinc/92/80/02/1120928002.db2.gz XZAFLIMMPPIIOM-UHFFFAOYSA-N 0 1 282.453 3.705 20 0 CHADMN COc1cc(C)nc(CN[C@]2(c3ccccc3)CC2(C)C)c1 ZINC000662342961 1120928051 /nfs/dbraw/zinc/92/80/51/1120928051.db2.gz MPFCEVWSZQSXAP-IBGZPJMESA-N 0 1 296.414 3.814 20 0 CHADMN CCOc1ccc(CN[C@]2(c3ccccc3)CC2(C)C)nc1 ZINC000662343281 1120928783 /nfs/dbraw/zinc/92/87/83/1120928783.db2.gz INQZJAXKJFEBNW-IBGZPJMESA-N 0 1 296.414 3.895 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N(C)C[C@@H]1CC1(C)C ZINC000662348217 1120929915 /nfs/dbraw/zinc/92/99/15/1120929915.db2.gz RYPMOYUJWNUUIH-MNOVXSKESA-N 0 1 291.420 3.837 20 0 CHADMN C[C@H](C(=O)Nc1cccc2ccccc21)N1CC2CC1(C)C2 ZINC000662380273 1120931277 /nfs/dbraw/zinc/93/12/77/1120931277.db2.gz GLACWNCVDQFBBK-VFPJAPOESA-N 0 1 294.398 3.651 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000511971032 1120948920 /nfs/dbraw/zinc/94/89/20/1120948920.db2.gz FQHFLYYESGNZGP-SECBINFHSA-N 0 1 261.262 3.686 20 0 CHADMN CCCN(Cc1ncc(CSC)s1)CC1CC1 ZINC000350126504 1120966044 /nfs/dbraw/zinc/96/60/44/1120966044.db2.gz VMYHCBRXAQRSBT-UHFFFAOYSA-N 0 1 270.467 3.628 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccoc2)cc1OC ZINC000094869109 1120967922 /nfs/dbraw/zinc/96/79/22/1120967922.db2.gz KDUURXVRAASUAF-NEPJUHHUSA-N 0 1 275.348 3.709 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCCCCC1 ZINC000008119215 1120972330 /nfs/dbraw/zinc/97/23/30/1120972330.db2.gz OFFCNVANOXJAME-OAHLLOKOSA-N 0 1 274.408 3.506 20 0 CHADMN CCc1ccc(NCc2[nH]nc3ccccc32)cc1 ZINC000604064314 1120975769 /nfs/dbraw/zinc/97/57/69/1120975769.db2.gz SJAUVHXPZYQEHJ-UHFFFAOYSA-N 0 1 251.333 3.737 20 0 CHADMN CCCCO[C@@H]1C[C@H](NCc2cc(C3CC3)no2)C1(C)C ZINC000660529367 1120979131 /nfs/dbraw/zinc/97/91/31/1120979131.db2.gz CDMARZPBNOHWSI-JKSUJKDBSA-N 0 1 292.423 3.625 20 0 CHADMN CCn1nccc1CN[C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000663467419 1120981820 /nfs/dbraw/zinc/98/18/20/1120981820.db2.gz IQHPOIICBRPJGP-QGZVFWFLSA-N 0 1 299.418 3.523 20 0 CHADMN CCn1nccc1CN[C@@H](c1ccc(C)o1)C1CCCC1 ZINC000663471121 1120984301 /nfs/dbraw/zinc/98/43/01/1120984301.db2.gz RTQYJSWELIQYFA-QGZVFWFLSA-N 0 1 287.407 3.826 20 0 CHADMN Cc1cccc([C@H](NCCOC(C)(C)C)c2ccccn2)c1 ZINC000925777902 1120986317 /nfs/dbraw/zinc/98/63/17/1120986317.db2.gz HYEHVHWYZAUXAE-SFHVURJKSA-N 0 1 298.430 3.884 20 0 CHADMN CC[C@@H](NCc1cnccc1C(F)(F)F)c1ccncc1 ZINC000663474597 1120987487 /nfs/dbraw/zinc/98/74/87/1120987487.db2.gz LKWABSLFWZYIQX-CQSZACIVSA-N 0 1 295.308 3.736 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1CCCC2(CC2)C1 ZINC000613919108 1120992635 /nfs/dbraw/zinc/99/26/35/1120992635.db2.gz XNYHLLRYVOFSMH-LBPRGKRZSA-N 0 1 283.375 3.780 20 0 CHADMN COc1cncc(CN(Cc2cccc(F)c2)C(C)C)c1 ZINC000343957250 1120997845 /nfs/dbraw/zinc/99/78/45/1120997845.db2.gz IMSOHWFJKXZWPK-UHFFFAOYSA-N 0 1 288.366 3.640 20 0 CHADMN COc1cc(CNCc2cc(Cl)cc(Cl)c2)ccn1 ZINC000058062511 1121000673 /nfs/dbraw/zinc/00/06/73/1121000673.db2.gz JMSOLIOBNLJKHY-UHFFFAOYSA-N 0 1 297.185 3.687 20 0 CHADMN CC(C)c1nc(CSc2nc(C3CC3)n[nH]2)cs1 ZINC000031655190 1121006692 /nfs/dbraw/zinc/00/66/92/1121006692.db2.gz FPLKFIRDLMPTMS-UHFFFAOYSA-N 0 1 280.422 3.554 20 0 CHADMN CC(C)c1nc(CSc2n[nH]c(C3CC3)n2)cs1 ZINC000031655190 1121006694 /nfs/dbraw/zinc/00/66/94/1121006694.db2.gz FPLKFIRDLMPTMS-UHFFFAOYSA-N 0 1 280.422 3.554 20 0 CHADMN Cc1ccc(CNCc2ccc(C(F)F)cc2)nc1C ZINC000314851550 1121009086 /nfs/dbraw/zinc/00/90/86/1121009086.db2.gz VLOQPUPHIUWCMM-UHFFFAOYSA-N 0 1 276.330 3.926 20 0 CHADMN CC[C@@H](NC(=O)Cc1[nH]nc2ccccc21)C1CCCCC1 ZINC000585711973 1121019401 /nfs/dbraw/zinc/01/94/01/1121019401.db2.gz WRDHEVJJDFERFY-OAHLLOKOSA-N 0 1 299.418 3.581 20 0 CHADMN CC=Nc1cc(-c2ccc(Br)cc2)no1 ZINC001174778163 1121027661 /nfs/dbraw/zinc/02/76/61/1121027661.db2.gz BFQOAXXYSNIJOW-UHFFFAOYSA-N 0 1 265.110 3.660 20 0 CHADMN CC[C@@H]1CCC[C@H](C)N1Cc1nc2c(o1)CCCC2 ZINC001174780825 1121028993 /nfs/dbraw/zinc/02/89/93/1121028993.db2.gz RPMVWEKDJIDGCI-QWHCGFSZSA-N 0 1 262.397 3.706 20 0 CHADMN CCC1CCC(N(C)Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000585748863 1121029950 /nfs/dbraw/zinc/02/99/50/1121029950.db2.gz DFIUWCPBAJVQGW-UHFFFAOYSA-N 0 1 299.418 3.736 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)NCCC3CC3)n2)cc1 ZINC000543542961 1121034773 /nfs/dbraw/zinc/03/47/73/1121034773.db2.gz QRSKMFGCZQITMX-LBPRGKRZSA-N 0 1 285.391 3.750 20 0 CHADMN CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1 ZINC000007437732 1121040316 /nfs/dbraw/zinc/04/03/16/1121040316.db2.gz CSYQLSYNCBRBTJ-UHFFFAOYSA-N 0 1 296.414 3.764 20 0 CHADMN Cc1csc(C2(N[C@@H](C)C3(Cl)CC3)CCC2)n1 ZINC000925804281 1121044570 /nfs/dbraw/zinc/04/45/70/1121044570.db2.gz GEAUCUJSXPIGTJ-JTQLQIEISA-N 0 1 270.829 3.580 20 0 CHADMN CCCN(Cc1csc(Br)n1)CC(C)C ZINC001137585668 1121051329 /nfs/dbraw/zinc/05/13/29/1121051329.db2.gz FEMRKNQQBHGCHS-UHFFFAOYSA-N 0 1 291.258 3.774 20 0 CHADMN Cc1cc(CN2CC3CC2(C)C3)ccc1Br ZINC001174797541 1121053164 /nfs/dbraw/zinc/05/31/64/1121053164.db2.gz JIWKNAQSMKZATD-UHFFFAOYSA-N 0 1 280.209 3.742 20 0 CHADMN C[C@@H]1CN(Cc2csc(C3CC3)n2)CC(C)(C)C1 ZINC000344021566 1121054002 /nfs/dbraw/zinc/05/40/02/1121054002.db2.gz HCZXHVNITSWDPY-NSHDSACASA-N 0 1 264.438 3.889 20 0 CHADMN CCn1c(C)cc(C(=O)CN(C)C[C@@H]2CC=CCC2)c1C ZINC000344023538 1121055836 /nfs/dbraw/zinc/05/58/36/1121055836.db2.gz AVGLZPWSASIPTC-MRXNPFEDSA-N 0 1 288.435 3.596 20 0 CHADMN CN(Cc1csc(C2CC2)n1)C[C@@H]1CC=CCC1 ZINC000344033760 1121060366 /nfs/dbraw/zinc/06/03/66/1121060366.db2.gz QHPMKJUATBXUSJ-GFCCVEGCSA-N 0 1 262.422 3.809 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cc(F)ccc1C ZINC001174885774 1121061279 /nfs/dbraw/zinc/06/12/79/1121061279.db2.gz OMUDBVVGTDLGGL-UHFFFAOYSA-N 0 1 273.286 3.973 20 0 CHADMN Cc1ncn(-c2cccc3c4ccccc4oc32)c1N ZINC001174855042 1121065161 /nfs/dbraw/zinc/06/51/61/1121065161.db2.gz DRBWYLXVFRVWAV-UHFFFAOYSA-N 0 1 263.300 3.662 20 0 CHADMN CN(Cc1ccncc1Cl)C[C@H]1CC=CCC1 ZINC000344067552 1121071770 /nfs/dbraw/zinc/07/17/70/1121071770.db2.gz PTDHCSNJGLTLHU-LBPRGKRZSA-N 0 1 250.773 3.523 20 0 CHADMN Cc1nc(C[N@H+]2CC(C)(C)CCC2(C)C)c(C)o1 ZINC000625724341 1121072380 /nfs/dbraw/zinc/07/23/80/1121072380.db2.gz IDJBPUDZPIUVSP-UHFFFAOYSA-N 0 1 250.386 3.692 20 0 CHADMN C[C@@H]1CC(c2nc3ccc(Cl)cc3[nH]2)C[C@@H](C)O1 ZINC000724363780 1121080754 /nfs/dbraw/zinc/08/07/54/1121080754.db2.gz UKXKJPDSSJDSOU-RKDXNWHRSA-N 0 1 264.756 3.887 20 0 CHADMN Cc1n[nH]cc1CN[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000038011289 1121093715 /nfs/dbraw/zinc/09/37/15/1121093715.db2.gz URKUVERLGOZPGE-ZDUSSCGKSA-N 0 1 287.407 3.604 20 0 CHADMN COCc1cccc(CN[C@@H](C)c2cc(C)oc2C)c1 ZINC000038010654 1121094148 /nfs/dbraw/zinc/09/41/48/1121094148.db2.gz LOFOZRIQXVDGQH-ZDUSSCGKSA-N 0 1 273.376 3.894 20 0 CHADMN COCc1cccc(CN[C@H](C)c2cc(F)ccc2F)c1 ZINC000038010513 1121094753 /nfs/dbraw/zinc/09/47/53/1121094753.db2.gz FVQZNDZICZHDHE-GFCCVEGCSA-N 0 1 291.341 3.962 20 0 CHADMN COCc1cccc(CN[C@H](C)c2cc(C)oc2C)c1 ZINC000038010653 1121095216 /nfs/dbraw/zinc/09/52/16/1121095216.db2.gz LOFOZRIQXVDGQH-CYBMUJFWSA-N 0 1 273.376 3.894 20 0 CHADMN COCc1cccc(CNCc2cc3ccccc3o2)c1 ZINC000038010639 1121095335 /nfs/dbraw/zinc/09/53/35/1121095335.db2.gz DCUCGBJHKGMSAN-UHFFFAOYSA-N 0 1 281.355 3.869 20 0 CHADMN Fc1ccc2c(c1)C[C@H](NCc1cscc1Cl)CO2 ZINC000674224472 1121101382 /nfs/dbraw/zinc/10/13/82/1121101382.db2.gz UVWNAOKHALNGAP-LBPRGKRZSA-N 0 1 297.782 3.634 20 0 CHADMN COc1cncc(CN(C)[C@H](C)c2ccc(C)cc2C)c1 ZINC000344142533 1121102901 /nfs/dbraw/zinc/10/29/01/1121102901.db2.gz ZTDOUVSBDHWTHP-OAHLLOKOSA-N 0 1 284.403 3.900 20 0 CHADMN C[C@@H](C(=O)Nc1ccc(SC2CCCC2)cc1)N(C)C ZINC000674245551 1121104945 /nfs/dbraw/zinc/10/49/45/1121104945.db2.gz PZIRBDIDGVFHSY-LBPRGKRZSA-N 0 1 292.448 3.610 20 0 CHADMN Fc1cccc(OC2CCN(Cc3ccsc3)CC2)c1 ZINC000528573055 1121106374 /nfs/dbraw/zinc/10/63/74/1121106374.db2.gz XJVGULUMJZZXFB-UHFFFAOYSA-N 0 1 291.391 3.931 20 0 CHADMN CC(C)c1ccc([C@H](NC(=O)[C@H](C)N(C)C)C(C)C)cc1 ZINC000674266631 1121110976 /nfs/dbraw/zinc/11/09/76/1121110976.db2.gz URTHMHQRELGOCA-WMLDXEAASA-N 0 1 290.451 3.573 20 0 CHADMN C[C@@H](c1ccncc1)N1CCSC2(CCCCC2)C1 ZINC000674306796 1121115529 /nfs/dbraw/zinc/11/55/29/1121115529.db2.gz NJUQXBUDXQVTMS-AWEZNQCLSA-N 0 1 276.449 3.894 20 0 CHADMN Cc1ccoc1CN1CCC(Oc2cccc(F)c2)CC1 ZINC000529637472 1121116613 /nfs/dbraw/zinc/11/66/13/1121116613.db2.gz UFBTZTXOPYRASD-UHFFFAOYSA-N 0 1 289.350 3.771 20 0 CHADMN C[C@@H](O)c1ccc(CN[C@@H](C)c2ccccc2F)cc1 ZINC000178542221 1121122470 /nfs/dbraw/zinc/12/24/70/1121122470.db2.gz SQFWMXRWXZLELU-QWHCGFSZSA-N 0 1 273.351 3.730 20 0 CHADMN CC[C@]1(C)CCN(CC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000344215435 1121122688 /nfs/dbraw/zinc/12/26/88/1121122688.db2.gz KEUZPRCRLAULIG-GOSISDBHSA-N 0 1 288.435 3.672 20 0 CHADMN CCn1cc([C@H](C)N[C@@H](C)c2ccc(C(F)F)nc2)cn1 ZINC000658032827 1121122861 /nfs/dbraw/zinc/12/28/61/1121122861.db2.gz XJSNZGMDJSNNCY-QWRGUYRKSA-N 0 1 294.349 3.647 20 0 CHADMN Cc1ccc([C@H](C)NCc2nc3ccccc3n2C)s1 ZINC000066989309 1121124900 /nfs/dbraw/zinc/12/49/00/1121124900.db2.gz KFLUOLFJXFZOGW-LBPRGKRZSA-N 0 1 285.416 3.794 20 0 CHADMN O=C(CC1CCCC1)Nc1cccc(Cl)c1O ZINC000172109869 1121139264 /nfs/dbraw/zinc/13/92/64/1121139264.db2.gz SAPHZBMFTDTJPR-UHFFFAOYSA-N 0 1 253.729 3.564 20 0 CHADMN C[C@@H](c1cccnc1)N(C)Cc1cc2ccccc2[nH]1 ZINC000674506062 1121139757 /nfs/dbraw/zinc/13/97/57/1121139757.db2.gz YUISVWJRMXQWSA-ZDUSSCGKSA-N 0 1 265.360 3.756 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1ccccc1F)c1cnn(C)c1 ZINC000922892685 1121143506 /nfs/dbraw/zinc/14/35/06/1121143506.db2.gz FYIGFDYUUFHZID-WBMJQRKESA-N 0 1 275.371 3.607 20 0 CHADMN CC[C@@H](NC/C=C\CO)c1ccc(Cl)cc1Cl ZINC000658134008 1121174308 /nfs/dbraw/zinc/17/43/08/1121174308.db2.gz UOBOVZQCFVAGHD-DHCBQETCSA-N 0 1 274.191 3.583 20 0 CHADMN C[C@@H](CN(C)Cc1cccnc1Cl)C(C)(C)C ZINC000399638244 1121150973 /nfs/dbraw/zinc/15/09/73/1121150973.db2.gz XYYWEYWUNPFRPS-NSHDSACASA-N 0 1 254.805 3.849 20 0 CHADMN C[C@H](NC1(c2ccccc2)CC1)c1cnn(C2CCC2)c1 ZINC000925825811 1121152910 /nfs/dbraw/zinc/15/29/10/1121152910.db2.gz IBGAUTLAQSGXRY-AWEZNQCLSA-N 0 1 281.403 3.948 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccccc2C)sn1 ZINC001175034838 1121153120 /nfs/dbraw/zinc/15/31/20/1121153120.db2.gz CZDRNSRUKPVDHR-ZDUSSCGKSA-N 0 1 260.406 3.953 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701562712 1121159159 /nfs/dbraw/zinc/15/91/59/1121159159.db2.gz KJGSBDHQZLDJJC-FFSVYQOJSA-N 0 1 293.794 3.588 20 0 CHADMN CC[C@@H](NCc1cncs1)c1ccccc1F ZINC000168902266 1121170585 /nfs/dbraw/zinc/17/05/85/1121170585.db2.gz DZAWGWOFLKKTOT-CYBMUJFWSA-N 0 1 250.342 3.523 20 0 CHADMN Cc1ccc(C[N@H+](C)C2CCCCCC2)cc1C(=O)[O-] ZINC000701833090 1121170700 /nfs/dbraw/zinc/17/07/00/1121170700.db2.gz YRNYDSQEXGPANB-UHFFFAOYSA-N 0 1 275.392 3.848 20 0 CHADMN C[C@H](NC1(c2ccccc2)CC1)c1cc(O)cc(F)c1 ZINC000925827523 1121173708 /nfs/dbraw/zinc/17/37/08/1121173708.db2.gz VKTUPPCBBWXLGX-LBPRGKRZSA-N 0 1 271.335 3.871 20 0 CHADMN Cc1nc2ccccc2nc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000265163177 1121174964 /nfs/dbraw/zinc/17/49/64/1121174964.db2.gz WMRHSUXSUSAJRL-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1cc(C(=O)CN(C2CC2)C2CCCCC2)c(C)n1C ZINC000674750808 1121175239 /nfs/dbraw/zinc/17/52/39/1121175239.db2.gz UZWKSNHZAKKWSL-UHFFFAOYSA-N 0 1 288.435 3.622 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(-c2ccsc2)cc1 ZINC000580336567 1121176132 /nfs/dbraw/zinc/17/61/32/1121176132.db2.gz SBELPJJNWGJGRI-UHFFFAOYSA-N 0 1 289.400 3.712 20 0 CHADMN CC[C@H]1CCCN(Cc2cnc(Cl)s2)CC1 ZINC000086776946 1121181421 /nfs/dbraw/zinc/18/14/21/1121181421.db2.gz GGRCGWDOCINKNJ-JTQLQIEISA-N 0 1 258.818 3.809 20 0 CHADMN CCOc1ncccc1CN[C@H](C)c1sccc1C ZINC000359857709 1121184313 /nfs/dbraw/zinc/18/43/13/1121184313.db2.gz OMTOXGHAQBKUDB-GFCCVEGCSA-N 0 1 276.405 3.701 20 0 CHADMN COc1c(Br)cc(C(C)C)cc1NC=N ZINC001167870840 1121186051 /nfs/dbraw/zinc/18/60/51/1121186051.db2.gz DTFBETOYUMDFDZ-UHFFFAOYSA-N 0 1 271.158 3.600 20 0 CHADMN CC[C@H](C)CNC1(c2noc(C)n2)CCCCCC1 ZINC000674862243 1121188896 /nfs/dbraw/zinc/18/88/96/1121188896.db2.gz MEZDFXKPTYDWBN-LBPRGKRZSA-N 0 1 265.401 3.563 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1ccnn1C)c1ccccc1F ZINC000658169102 1121200879 /nfs/dbraw/zinc/20/08/79/1121200879.db2.gz ZCURAVNJURAAOZ-LRDDRELGSA-N 0 1 275.371 3.607 20 0 CHADMN COc1ccnc(Nc2ccc(OC(C)C)c(C)c2)c1 ZINC001175191149 1121203986 /nfs/dbraw/zinc/20/39/86/1121203986.db2.gz YMTBRSHAEVKWGE-UHFFFAOYSA-N 0 1 272.348 3.929 20 0 CHADMN Brc1cccc(CN2CCCC3(CC3)CC2)n1 ZINC000702583825 1121205597 /nfs/dbraw/zinc/20/55/97/1121205597.db2.gz MCUKBUYLTXDKDK-UHFFFAOYSA-N 0 1 295.224 3.610 20 0 CHADMN Cn1ccnc1[C@H]1CCCN(Cc2ccsc2Cl)C1 ZINC000446829957 1128970048 /nfs/dbraw/zinc/97/00/48/1128970048.db2.gz NCYGQULTIAQWQC-LBPRGKRZSA-N 0 1 295.839 3.515 20 0 CHADMN C[C@@H](NCCC(C)(C)F)c1nc(C(F)(F)F)cs1 ZINC000658191426 1121211455 /nfs/dbraw/zinc/21/14/55/1121211455.db2.gz SAADDKPKRUOUAZ-SSDOTTSWSA-N 0 1 284.322 3.951 20 0 CHADMN Cc1ccc(C)c(CN2CCO[C@H](c3cccs3)C2)c1 ZINC000512231514 1121214073 /nfs/dbraw/zinc/21/40/73/1121214073.db2.gz XWHOZAIUOQNOPK-INIZCTEOSA-N 0 1 287.428 3.938 20 0 CHADMN CC(=O)c1ccccc1Nc1cc(C)nn1-c1ccncc1 ZINC001175176831 1121217609 /nfs/dbraw/zinc/21/76/09/1121217609.db2.gz ZWNPPUNXYFCACH-UHFFFAOYSA-N 0 1 292.342 3.522 20 0 CHADMN CC(=O)c1ccccc1Nc1ccc2c(c1)CN(C)CC2 ZINC001175179660 1121219029 /nfs/dbraw/zinc/21/90/29/1121219029.db2.gz AHAMYVJLGZFSRI-UHFFFAOYSA-N 0 1 280.371 3.621 20 0 CHADMN COC1(C[NH2+]Cc2cccc([O-])c2Cl)CCC(C)CC1 ZINC000645177822 1121223043 /nfs/dbraw/zinc/22/30/43/1121223043.db2.gz OZFGDWAPSKGUOY-UHFFFAOYSA-N 0 1 297.826 3.731 20 0 CHADMN C[C@@H]1CN(Cc2cccc(C(C)(C)C)c2)Cc2c[nH]nc21 ZINC001175211450 1121224134 /nfs/dbraw/zinc/22/41/34/1121224134.db2.gz PKEWLGZWJFKEPH-CYBMUJFWSA-N 0 1 283.419 3.827 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000619134291 1128971217 /nfs/dbraw/zinc/97/12/17/1128971217.db2.gz NSJYFRXYFPEPNP-ZIAGYGMSSA-N 0 1 297.402 3.727 20 0 CHADMN Cc1cc(N[C@@H](C)c2ccncc2F)c2cc(F)ccc2n1 ZINC000337811758 1121235435 /nfs/dbraw/zinc/23/54/35/1121235435.db2.gz MTBQFHQXYHOVKN-NSHDSACASA-N 0 1 299.324 3.811 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@@H]1CCc2ccc(O)cc21 ZINC000658239045 1121245031 /nfs/dbraw/zinc/24/50/31/1121245031.db2.gz SXFNZOISDVNLFD-YVEFUNNKSA-N 0 1 282.387 3.688 20 0 CHADMN CCOCCN(CC)Cc1c(Cl)oc2ccccc21 ZINC000512291036 1121249147 /nfs/dbraw/zinc/24/91/47/1121249147.db2.gz CZBCPYPSJRXGMY-UHFFFAOYSA-N 0 1 281.783 3.945 20 0 CHADMN CCSc1ccc([C@@H](C)NCc2cnn(CC)c2)cc1 ZINC000112098608 1121250413 /nfs/dbraw/zinc/25/04/13/1121250413.db2.gz WPYOIORRAXYLRC-CYBMUJFWSA-N 0 1 289.448 3.866 20 0 CHADMN CC(C)[C@H](c1ccccc1)N(C)CC(=O)c1cccn1C ZINC000112698982 1121254871 /nfs/dbraw/zinc/25/48/71/1121254871.db2.gz OMNFWKLCXWFDDG-GOSISDBHSA-N 0 1 284.403 3.537 20 0 CHADMN FCC[C@H]1CN(CCCCc2cccc(Cl)c2)CCO1 ZINC001175299991 1121262162 /nfs/dbraw/zinc/26/21/62/1121262162.db2.gz AJUWBUHETFZTFY-INIZCTEOSA-N 0 1 299.817 3.723 20 0 CHADMN CCc1cccc(C)c1NC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000673962922 1121272605 /nfs/dbraw/zinc/27/26/05/1121272605.db2.gz UCKYKWBXSHBOES-UHFFFAOYSA-N 0 1 295.342 3.793 20 0 CHADMN Cc1ccc(Nc2cccc(N3CCN(C)CC3)c2)c(F)c1 ZINC001175325654 1121282799 /nfs/dbraw/zinc/28/27/99/1121282799.db2.gz UNWBCRXCEVFVJQ-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN COc1cc(CN[C@H]2COc3ccccc32)ccc1Cl ZINC000703635646 1121283808 /nfs/dbraw/zinc/28/38/08/1121283808.db2.gz AOVLLEMCAPWOBU-AWEZNQCLSA-N 0 1 289.762 3.572 20 0 CHADMN CC[C@H]1C[C@@]1(NCc1cccc(OC)n1)c1cccc(C)c1 ZINC000500514695 1121293520 /nfs/dbraw/zinc/29/35/20/1121293520.db2.gz PUZGTAVBHXTUJT-KXBFYZLASA-N 0 1 296.414 3.814 20 0 CHADMN C[C@H](NCCc1nsc2ccccc12)c1nccs1 ZINC000658317411 1121294932 /nfs/dbraw/zinc/29/49/32/1121294932.db2.gz KCUSUYFEMUNYKT-JTQLQIEISA-N 0 1 289.429 3.646 20 0 CHADMN C[C@@H](O)c1ccc(CN[C@@H](C)c2ccc(F)cc2F)cc1 ZINC000178546731 1121298619 /nfs/dbraw/zinc/29/86/19/1121298619.db2.gz DIWDPFVUBYDMPM-NWDGAFQWSA-N 0 1 291.341 3.869 20 0 CHADMN Cc1cccc([C@H]2CCCN2C[C@H]2CC2(Cl)Cl)n1 ZINC000766137326 1121307588 /nfs/dbraw/zinc/30/75/88/1121307588.db2.gz SFKHRJPJFSSTBP-DGCLKSJQSA-N 0 1 285.218 3.721 20 0 CHADMN CC[C@H](NC[C@H](O)c1ccc(C)o1)c1cc(F)ccc1F ZINC000766136146 1121307410 /nfs/dbraw/zinc/30/74/10/1121307410.db2.gz BNPREEPCIWWPSZ-GJZGRUSLSA-N 0 1 295.329 3.641 20 0 CHADMN CSCC[C@H](C)N(C)Cc1ccc(Cl)nc1Cl ZINC000235056160 1121313939 /nfs/dbraw/zinc/31/39/39/1121313939.db2.gz QMNYVPLQHHKUNM-VIFPVBQESA-N 0 1 293.263 3.962 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3nc4ccc(F)cc4s3)C[C@@H]21 ZINC000432747791 1121314613 /nfs/dbraw/zinc/31/46/13/1121314613.db2.gz MFJBCKMBPVNDIX-PHIMTYICSA-N 0 1 276.380 3.523 20 0 CHADMN CC(C)(C)C(F)(F)CN[C@H]1CCCSCC1 ZINC000658340196 1121316900 /nfs/dbraw/zinc/31/69/00/1121316900.db2.gz ZDUJTLPPWGRBDF-JTQLQIEISA-N 0 1 251.386 3.543 20 0 CHADMN CN(Cc1nc2ccc(F)cc2s1)CC(C)(C)C ZINC000432749110 1121319871 /nfs/dbraw/zinc/31/98/71/1121319871.db2.gz WTVYGQHBFXCKCW-UHFFFAOYSA-N 0 1 266.385 3.913 20 0 CHADMN COc1ccc(F)cc1CNC(C)(C)CC(F)(F)F ZINC000643332315 1121329510 /nfs/dbraw/zinc/32/95/10/1121329510.db2.gz MUANXKMWOQJDRL-UHFFFAOYSA-N 0 1 279.277 3.655 20 0 CHADMN CCn1nccc1CN[C@@H](C)c1cc2ccccc2o1 ZINC000125123756 1121340131 /nfs/dbraw/zinc/34/01/31/1121340131.db2.gz DTMQYFOYWQHELM-LBPRGKRZSA-N 0 1 269.348 3.500 20 0 CHADMN CCn1nccc1CN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000125208632 1121346236 /nfs/dbraw/zinc/34/62/36/1121346236.db2.gz IPXANLIPDCPPGM-AWEZNQCLSA-N 0 1 287.407 3.541 20 0 CHADMN Cc1ncccc1CN[C@@H](CC(C)C)c1ccccn1 ZINC000675763320 1121352235 /nfs/dbraw/zinc/35/22/35/1121352235.db2.gz JYFQXVDRMGAKSV-KRWDZBQOSA-N 0 1 269.392 3.662 20 0 CHADMN CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432789608 1121353102 /nfs/dbraw/zinc/35/31/02/1121353102.db2.gz TZMHRUWBRCZFOI-STQMWFEESA-N 0 1 278.444 3.503 20 0 CHADMN CC[C@H]1CCCC[C@@H]1N(C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432789608 1121353108 /nfs/dbraw/zinc/35/31/08/1121353108.db2.gz TZMHRUWBRCZFOI-STQMWFEESA-N 0 1 278.444 3.503 20 0 CHADMN CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432789607 1121353357 /nfs/dbraw/zinc/35/33/57/1121353357.db2.gz TZMHRUWBRCZFOI-QWHCGFSZSA-N 0 1 278.444 3.503 20 0 CHADMN CC[C@H]1CCCC[C@H]1N(C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432789607 1121353366 /nfs/dbraw/zinc/35/33/66/1121353366.db2.gz TZMHRUWBRCZFOI-QWHCGFSZSA-N 0 1 278.444 3.503 20 0 CHADMN CCc1nc(C)c([C@@H](C)NCc2ccoc2C)s1 ZINC000675779920 1121356989 /nfs/dbraw/zinc/35/69/89/1121356989.db2.gz RPAFCBGHCQYXGL-SECBINFHSA-N 0 1 264.394 3.766 20 0 CHADMN CCOCc1ccccc1CNCc1ccc(C)cc1F ZINC000631038336 1128979820 /nfs/dbraw/zinc/97/98/20/1128979820.db2.gz ZPBVFNNXPBORCV-UHFFFAOYSA-N 0 1 287.378 3.960 20 0 CHADMN COC1(C)CCN(Cc2cc(C)ccc2OC(F)F)CC1 ZINC000500703671 1121357430 /nfs/dbraw/zinc/35/74/30/1121357430.db2.gz UPSIXEDSSUADHT-UHFFFAOYSA-N 0 1 299.361 3.597 20 0 CHADMN CCCc1cc(Nc2c3cn[nH]c3ccc2C)on1 ZINC001175524446 1121362557 /nfs/dbraw/zinc/36/25/57/1121362557.db2.gz CTYNTOFNJGQIAO-UHFFFAOYSA-N 0 1 256.309 3.555 20 0 CHADMN CC(=O)Nc1ccccc1Nc1c2cn[nH]c2ccc1C ZINC001175525864 1121364533 /nfs/dbraw/zinc/36/45/33/1121364533.db2.gz IRXHOKSVIFUPEX-UHFFFAOYSA-N 0 1 280.331 3.573 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc(-c2nnco2)c1 ZINC001175525849 1121365825 /nfs/dbraw/zinc/36/58/25/1121365825.db2.gz IJKLAUNNLAJVPJ-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN COC(=O)c1cccc(F)c1Nc1c2cn[nH]c2ccc1C ZINC001175525809 1121366364 /nfs/dbraw/zinc/36/63/64/1121366364.db2.gz GJTDNTJKNXZDDC-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc([C@H](C)O)cc1 ZINC001175525428 1121366512 /nfs/dbraw/zinc/36/65/12/1121366512.db2.gz BKSDYCDQOQLIED-NSHDSACASA-N 0 1 267.332 3.668 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2c1CCO2 ZINC001175525399 1121366575 /nfs/dbraw/zinc/36/65/75/1121366575.db2.gz AEPCKWYDNHNDMZ-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2nccnc21 ZINC001175526731 1121367465 /nfs/dbraw/zinc/36/74/65/1121367465.db2.gz QZEHPEJBJXWBEJ-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc([C@@H](C)O)c1 ZINC001175526049 1121367547 /nfs/dbraw/zinc/36/75/47/1121367547.db2.gz NJXTUZYCXWMEKK-LLVKDONJSA-N 0 1 267.332 3.668 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccccc1-n1ccnc1 ZINC001175526652 1121367564 /nfs/dbraw/zinc/36/75/64/1121367564.db2.gz XQPFYLQJYDCGNC-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1cc(C)nc(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175526417 1121367959 /nfs/dbraw/zinc/36/79/59/1121367959.db2.gz VAYDBJXCGXOIOX-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN COc1cccc(CN[C@@H](CC2CC2)c2ccccc2)n1 ZINC000675821818 1121368637 /nfs/dbraw/zinc/36/86/37/1121368637.db2.gz SDHPLPXNYABSPT-KRWDZBQOSA-N 0 1 282.387 3.721 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(F)cc1F ZINC001175526255 1121368914 /nfs/dbraw/zinc/36/89/14/1121368914.db2.gz QBNXZRJRIJWZGC-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1ccc2[nH]ncc2c1N1CCCc2ccc(N)cc21 ZINC001175527641 1121370327 /nfs/dbraw/zinc/37/03/27/1121370327.db2.gz SUJSIQIQKSIQAQ-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN CC(C)(C)OC[C@H]1CCCN1Cc1ccc(Cl)nc1 ZINC000932163854 1121372237 /nfs/dbraw/zinc/37/22/37/1121372237.db2.gz ONVPLGVXDXCYGB-CYBMUJFWSA-N 0 1 282.815 3.515 20 0 CHADMN Cc1ccc(N[C@H](c2nnc[nH]2)c2ccccc2)cc1Cl ZINC000675859099 1121374940 /nfs/dbraw/zinc/37/49/40/1121374940.db2.gz CMQYDASWTNEISY-HNNXBMFYSA-N 0 1 298.777 3.968 20 0 CHADMN Nc1nc2ccccc2n1/C=C/c1ccc(Cl)cc1 ZINC001175593531 1121376221 /nfs/dbraw/zinc/37/62/21/1121376221.db2.gz GLICUJSWMGRLDS-MDZDMXLPSA-N 0 1 269.735 3.900 20 0 CHADMN CCOCCN(C)Cc1ccc(-c2cccc(F)c2C)o1 ZINC000500744675 1121378073 /nfs/dbraw/zinc/37/80/73/1121378073.db2.gz FLNPJYMFJLIIQA-UHFFFAOYSA-N 0 1 291.366 3.862 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1Cc1nnc(C(C)(C)C)[nH]1 ZINC000432824115 1121391918 /nfs/dbraw/zinc/39/19/18/1121391918.db2.gz SAPZGUUBJXUXBE-CHWSQXEVSA-N 0 1 278.444 3.503 20 0 CHADMN Cc1cc(C)c2c(N=CCC(C)(C)C)nn(C)c2n1 ZINC001175573264 1121392795 /nfs/dbraw/zinc/39/27/95/1121392795.db2.gz WLGKKGPEVRVICP-BQYQJAHWSA-N 0 1 258.369 3.557 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1NC1=CCCN(C)C1 ZINC001175577093 1121396297 /nfs/dbraw/zinc/39/62/97/1121396297.db2.gz VOOLKZNYQDEWJG-UHFFFAOYSA-N 0 1 270.298 3.645 20 0 CHADMN CN1CCC=C(Nc2ccccc2OCc2ccccc2)C1 ZINC001175576794 1121397857 /nfs/dbraw/zinc/39/78/57/1121397857.db2.gz UBRQRWNXWSBCAT-UHFFFAOYSA-N 0 1 294.398 3.897 20 0 CHADMN C[C@@H](NCC1(C)CCC1)c1nc(C2CCCCC2)no1 ZINC000432868675 1121408830 /nfs/dbraw/zinc/40/88/30/1121408830.db2.gz ZUWBKWGHQZBAQG-GFCCVEGCSA-N 0 1 277.412 3.958 20 0 CHADMN CCc1nc(CN2[C@H](C)C[C@H](c3ccccc3)C2(C)C)no1 ZINC001175652299 1121409204 /nfs/dbraw/zinc/40/92/04/1121409204.db2.gz SRMVHQUWNUFQLL-UKRRQHHQSA-N 0 1 299.418 3.789 20 0 CHADMN CN(Cc1ccc2cc[nH]c2c1)Cc1ccc(Cl)cn1 ZINC001175610520 1121411241 /nfs/dbraw/zinc/41/12/41/1121411241.db2.gz GMEKGBGOKCPJRM-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CC[C@@H]1CO[C@@H](C)C[N@H+]1CCCOc1cc(C)cc(C)c1 ZINC000676227696 1121414636 /nfs/dbraw/zinc/41/46/36/1121414636.db2.gz OJBWTRVMHJKYSE-DLBZAZTESA-N 0 1 291.435 3.572 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1CCCOc1cc(C)cc(C)c1 ZINC000676227696 1121414642 /nfs/dbraw/zinc/41/46/42/1121414642.db2.gz OJBWTRVMHJKYSE-DLBZAZTESA-N 0 1 291.435 3.572 20 0 CHADMN CCc1cccc(Nc2ccc3n[nH]c(C)c3c2)n1 ZINC001175694582 1121415102 /nfs/dbraw/zinc/41/51/02/1121415102.db2.gz SDRPDVIEMJXULE-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN Cc1[nH]nc2ccc(Nc3csc4nccnc34)cc12 ZINC001175693514 1121415249 /nfs/dbraw/zinc/41/52/49/1121415249.db2.gz BLSQCQPQZRUQRL-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN COc1c(F)cccc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175699321 1121416465 /nfs/dbraw/zinc/41/64/65/1121416465.db2.gz MXAKESIVHWMXJK-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN COc1ccc(Nc2ccc3n[nH]c(C)c3c2)cc1F ZINC001175700173 1121417888 /nfs/dbraw/zinc/41/78/88/1121417888.db2.gz VYTGKDGJEPGMIA-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc([C@H](C)O)cc3)cc12 ZINC001175699726 1121418325 /nfs/dbraw/zinc/41/83/25/1121418325.db2.gz QDTFEELGTPFZNP-NSHDSACASA-N 0 1 267.332 3.668 20 0 CHADMN COc1cc(F)c(F)cc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175700671 1121418412 /nfs/dbraw/zinc/41/84/12/1121418412.db2.gz RIYCGPAEOXDLEG-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN COc1cc(Nc2ccc3n[nH]c(C)c3c2)ccc1C(C)=O ZINC001175701932 1121419062 /nfs/dbraw/zinc/41/90/62/1121419062.db2.gz JZDGQEOZXKHKJT-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN Cc1[nH]nc2ccc(N3CCCc4ccc(N)cc43)cc12 ZINC001175701439 1121419449 /nfs/dbraw/zinc/41/94/49/1121419449.db2.gz DBFDKBQYPMIHQP-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN c1ccc2c(c1)n[nH]c2CNc1ccc2ncccc2c1 ZINC000676318128 1121422936 /nfs/dbraw/zinc/42/29/36/1121422936.db2.gz QXHMSQXFGFLRNA-UHFFFAOYSA-N 0 1 274.327 3.723 20 0 CHADMN Cc1[nH]nc2cc(Nc3nnc(C(C)(C)C)s3)ccc21 ZINC001175659215 1121422970 /nfs/dbraw/zinc/42/29/70/1121422970.db2.gz GXTDGMURCICDBT-UHFFFAOYSA-N 0 1 287.392 3.764 20 0 CHADMN Cc1[nH]nc2cc(Nc3cn(C4CCC4)cn3)ccc12 ZINC001175660845 1121424604 /nfs/dbraw/zinc/42/46/04/1121424604.db2.gz WWTQDSCZTKZGCS-UHFFFAOYSA-N 0 1 267.336 3.536 20 0 CHADMN Cc1[nH]nc2cc(Nc3cn4c(cccc4Cl)n3)ccc12 ZINC001175660913 1121424790 /nfs/dbraw/zinc/42/47/90/1121424790.db2.gz YXGNNNWDXSXBJB-UHFFFAOYSA-N 0 1 297.749 3.916 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(N4CCCC4)nc3)ccc21 ZINC001175660196 1121424867 /nfs/dbraw/zinc/42/48/67/1121424867.db2.gz MLPYGWFPANORBC-UHFFFAOYSA-N 0 1 293.374 3.610 20 0 CHADMN CN1Cc2ccc(NCc3ccc(C(F)F)nc3)cc2C1 ZINC000631095171 1128984443 /nfs/dbraw/zinc/98/44/43/1128984443.db2.gz VQONUNZHMCXNAR-UHFFFAOYSA-N 0 1 289.329 3.577 20 0 CHADMN CSc1ccc(NCc2[nH]nc3ccccc32)cc1 ZINC000676314398 1121425408 /nfs/dbraw/zinc/42/54/08/1121425408.db2.gz CIKLFIMVDPTTCA-UHFFFAOYSA-N 0 1 269.373 3.897 20 0 CHADMN C[C@H]1CCCC[C@@H]1CC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000676346051 1121425942 /nfs/dbraw/zinc/42/59/42/1121425942.db2.gz CZQCBDJDKREHII-DTWKUNHWSA-N 0 1 289.301 3.583 20 0 CHADMN Cc1[nH]nc2cc(Nc3nccnc3C(C)C)ccc21 ZINC001175662037 1121426157 /nfs/dbraw/zinc/42/61/57/1121426157.db2.gz ZRXSWRFBDXAKLO-UHFFFAOYSA-N 0 1 267.336 3.528 20 0 CHADMN COC(=O)c1ccc(Nc2ccc3c(C)[nH]nc3c2)c(C)c1 ZINC001175661629 1121426346 /nfs/dbraw/zinc/42/63/46/1121426346.db2.gz PHKFCYSJNZNVEX-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4ccc(=O)[nH]c43)ccc12 ZINC001175664245 1121427159 /nfs/dbraw/zinc/42/71/59/1121427159.db2.gz WVCHJAIHMOTEHE-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN CCn1ncc2cc(Nc3ccc4c(C)[nH]nc4c3)ccc21 ZINC001175664518 1121427410 /nfs/dbraw/zinc/42/74/10/1121427410.db2.gz DRSMIAXUQPVVRO-UHFFFAOYSA-N 0 1 291.358 3.985 20 0 CHADMN Cc1cc2ccc(N)cc2n1-c1ccc2c(C)[nH]nc2c1 ZINC001175665424 1121427529 /nfs/dbraw/zinc/42/75/29/1121427529.db2.gz NXKQMAPPRVZDLS-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(F)c(F)cc3O)ccc12 ZINC001175662813 1121427591 /nfs/dbraw/zinc/42/75/91/1121427591.db2.gz DUUROQGOBCNFRC-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN COC[C@H](C)N[C@H](C)c1cc(Cl)sc1Cl ZINC000131910406 1121431046 /nfs/dbraw/zinc/43/10/46/1121431046.db2.gz QSVZLVDMSLWAKH-NKWVEPMBSA-N 0 1 268.209 3.740 20 0 CHADMN Fc1ccc(CN(Cc2[nH]nc3ccccc32)C2CC2)cc1 ZINC000676414108 1121431689 /nfs/dbraw/zinc/43/16/89/1121431689.db2.gz LZNOWMHQTJETJP-UHFFFAOYSA-N 0 1 295.361 3.867 20 0 CHADMN Cl/C=C(\Cl)CN1CCS[C@@H]2CCCC[C@H]21 ZINC000763564456 1128984892 /nfs/dbraw/zinc/98/48/92/1128984892.db2.gz LDGWJHUQBVZZEJ-ZNWQGHSCSA-N 0 1 266.237 3.665 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(Cl)cn3)cc12 ZINC001175692651 1121434580 /nfs/dbraw/zinc/43/45/80/1121434580.db2.gz CKHPOQXTWZFTAT-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ncc4ccccc4n3)cc21 ZINC001175692630 1121435191 /nfs/dbraw/zinc/43/51/91/1121435191.db2.gz BCRBWEODJFKBBX-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1ccc(OCc2ccccc2)c(Nc2nnco2)c1 ZINC001175716444 1121436390 /nfs/dbraw/zinc/43/63/90/1121436390.db2.gz LSIZDIYBZKGIDN-UHFFFAOYSA-N 0 1 281.315 3.701 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H](C)Cc2c(C)noc2C)c(C)s1 ZINC000676491739 1121436735 /nfs/dbraw/zinc/43/67/35/1121436735.db2.gz KHJHOKKAUYDASC-WCBMZHEXSA-N 0 1 293.436 3.647 20 0 CHADMN Cc1occc1CNCc1cnc(CC(C)C)s1 ZINC000676492795 1121437669 /nfs/dbraw/zinc/43/76/69/1121437669.db2.gz PINWHSPQVATFIN-UHFFFAOYSA-N 0 1 264.394 3.533 20 0 CHADMN CCC(CC)n1ccc(CN(CCOC)C2CCCC2)n1 ZINC000676557076 1121443205 /nfs/dbraw/zinc/44/32/05/1121443205.db2.gz GFICCWDUOADZAZ-UHFFFAOYSA-N 0 1 293.455 3.635 20 0 CHADMN Cc1cc(CN2C3CCCC2CCC3)cc(Cl)n1 ZINC000707161761 1121451542 /nfs/dbraw/zinc/45/15/42/1121451542.db2.gz JHGANNNMRBKZQP-UHFFFAOYSA-N 0 1 264.800 3.950 20 0 CHADMN COCCN(Cc1nc(C(C)(C)C)co1)[C@H]1CC[C@@H](C)C1 ZINC000894001058 1121454291 /nfs/dbraw/zinc/45/42/91/1121454291.db2.gz NIANXLGAEYMALH-KGLIPLIRSA-N 0 1 294.439 3.609 20 0 CHADMN Cc1ccc(CN2CC(C)(C)[C@@H]2c2ccccc2)nc1 ZINC000676705589 1121456579 /nfs/dbraw/zinc/45/65/79/1121456579.db2.gz SRJDNACROSKPGI-KRWDZBQOSA-N 0 1 266.388 3.973 20 0 CHADMN Cc1cc(CN[C@H]2c3ccccc3CCC[C@H]2C)on1 ZINC000631114134 1128985988 /nfs/dbraw/zinc/98/59/88/1128985988.db2.gz WELXUERZPJCHLN-SJKOYZFVSA-N 0 1 270.376 3.786 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3ccc(C(C)C)cc32)on1 ZINC000631114930 1128986041 /nfs/dbraw/zinc/98/60/41/1128986041.db2.gz DVOGAKFCGWKYHV-QGZVFWFLSA-N 0 1 270.376 3.884 20 0 CHADMN Cc1ncoc1CN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000894076247 1121466718 /nfs/dbraw/zinc/46/67/18/1121466718.db2.gz PUXHINFQISCHEV-YPMHNXCESA-N 0 1 260.337 3.549 20 0 CHADMN C[C@]1(C(F)(F)F)CCN(CCC(=O)c2ccccc2)C1 ZINC000709048275 1121467372 /nfs/dbraw/zinc/46/73/72/1121467372.db2.gz LNYGBNIGYJWSJE-AWEZNQCLSA-N 0 1 285.309 3.534 20 0 CHADMN COc1cc(F)c(C(C)C)cc1Nc1c(C)ncn1C ZINC001175828688 1121468052 /nfs/dbraw/zinc/46/80/52/1121468052.db2.gz DUIZFYCAPPVMNU-UHFFFAOYSA-N 0 1 277.343 3.743 20 0 CHADMN Cn1cncc1Nc1ccccc1Oc1ccccc1 ZINC001175837095 1121471036 /nfs/dbraw/zinc/47/10/36/1121471036.db2.gz DZRFQFXMBVXXKX-UHFFFAOYSA-N 0 1 265.316 3.956 20 0 CHADMN C[C@H](C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1)CC(C)(C)C ZINC000709275025 1121471130 /nfs/dbraw/zinc/47/11/30/1121471130.db2.gz COCLPVDQMXKERF-KBPBESRZSA-N 0 1 283.456 3.882 20 0 CHADMN CC[C@H](N[C@H](C)c1cn(C)cn1)c1ccc(C)cc1 ZINC000709948844 1121472073 /nfs/dbraw/zinc/47/20/73/1121472073.db2.gz INURBEQBMDQPTQ-HIFRSBDPSA-N 0 1 257.381 3.530 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1cn(C)cn1)c1ccc(F)cc1 ZINC000709931867 1121472300 /nfs/dbraw/zinc/47/23/00/1121472300.db2.gz GUYBOBPQOHCBIU-MLGOLLRUSA-N 0 1 275.371 3.607 20 0 CHADMN C[C@H](N[C@@H]1COC[C@H]1C)c1cc(Cl)sc1Cl ZINC000711104213 1121476294 /nfs/dbraw/zinc/47/62/94/1121476294.db2.gz FUNOBPIUBQHJEG-BKPPORCPSA-N 0 1 280.220 3.740 20 0 CHADMN CCCCN(C)Cc1coc(-c2cccc(OC)c2)n1 ZINC000072184023 1121477466 /nfs/dbraw/zinc/47/74/66/1121477466.db2.gz IIOGZDSFSVCMCX-UHFFFAOYSA-N 0 1 274.364 3.582 20 0 CHADMN FC(F)(F)c1cccc([C@H]2CCN(Cc3cocn3)C2)c1 ZINC000432916250 1121480577 /nfs/dbraw/zinc/48/05/77/1121480577.db2.gz HAOZEWZPHWIJNT-LBPRGKRZSA-N 0 1 296.292 3.683 20 0 CHADMN CC[C@@]1(CO)CCCN1Cc1ccc(C(F)(F)F)s1 ZINC000432921519 1121481475 /nfs/dbraw/zinc/48/14/75/1121481475.db2.gz CTWFSCYAPOQFRC-LBPRGKRZSA-N 0 1 293.354 3.504 20 0 CHADMN C[C@@H]1CCSCCN1Cc1nc2ccc(F)cc2s1 ZINC000432922675 1121481589 /nfs/dbraw/zinc/48/15/89/1121481589.db2.gz AZVPQNRHGKNDNW-SNVBAGLBSA-N 0 1 296.436 3.763 20 0 CHADMN Fc1ccc([C@H]2CCCN(Cc3cocn3)CC2)cc1 ZINC000432916672 1121483538 /nfs/dbraw/zinc/48/35/38/1121483538.db2.gz IUBIPLVKUOAVKC-ZDUSSCGKSA-N 0 1 274.339 3.583 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@H]1COc2ccc(F)cc21 ZINC000467000904 1121489692 /nfs/dbraw/zinc/48/96/92/1121489692.db2.gz BIRORPNFYDQIBW-LRDDRELGSA-N 0 1 271.335 3.918 20 0 CHADMN CC(C)N(Cc1cccs1)Cc1n[nH]c(C(C)(C)C)n1 ZINC000432947006 1121491504 /nfs/dbraw/zinc/49/15/04/1121491504.db2.gz ZDCJUPYJRYMHNV-UHFFFAOYSA-N 0 1 292.452 3.574 20 0 CHADMN Fc1cccc(F)c1CCN1CCCC(F)(F)CC1 ZINC000625772074 1121492636 /nfs/dbraw/zinc/49/26/36/1121492636.db2.gz MMEWNDQAMPJUCU-UHFFFAOYSA-N 0 1 275.289 3.629 20 0 CHADMN Cc1cccc2[nH]c(CNCc3cccc4c3OCC4)cc21 ZINC000922941314 1121493154 /nfs/dbraw/zinc/49/31/54/1121493154.db2.gz JTMWSDJZINLYPR-UHFFFAOYSA-N 0 1 292.382 3.701 20 0 CHADMN CCOC1(C)CCN(Cc2cc(F)ccc2Cl)CC1 ZINC000428739587 1121497328 /nfs/dbraw/zinc/49/73/28/1121497328.db2.gz DNXIKRKRXCJXON-UHFFFAOYSA-N 0 1 285.790 3.870 20 0 CHADMN COc1cccc(Cl)c1CN1CCC[C@H](CSC)C1 ZINC000429281048 1121505765 /nfs/dbraw/zinc/50/57/65/1121505765.db2.gz AOKRWUVUNYGIAF-LBPRGKRZSA-N 0 1 299.867 3.924 20 0 CHADMN CSC[C@H]1CCCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000429283943 1121506606 /nfs/dbraw/zinc/50/66/06/1121506606.db2.gz KNDPECMOAWLWTF-NSHDSACASA-N 0 1 294.395 3.542 20 0 CHADMN CCN(c1ccc(NCc2ocnc2C)cc1)C(C)C ZINC000894103992 1121507853 /nfs/dbraw/zinc/50/78/53/1121507853.db2.gz VIASVCHBHQXVNL-UHFFFAOYSA-N 0 1 273.380 3.830 20 0 CHADMN CC(C)(F)CNCc1csc(C(F)(F)F)c1 ZINC000631189232 1128990406 /nfs/dbraw/zinc/99/04/06/1128990406.db2.gz PXVOQJZGWAOCJK-UHFFFAOYSA-N 0 1 255.280 3.605 20 0 CHADMN CC[C@H](NCc1ccc2ccccc2c1)c1ccn(C)n1 ZINC000543602112 1121510647 /nfs/dbraw/zinc/51/06/47/1121510647.db2.gz JVHHYNDPZRDRRG-KRWDZBQOSA-N 0 1 279.387 3.814 20 0 CHADMN CCOc1ccc2ccccc2c1Nc1cncn1C ZINC001175983674 1121511808 /nfs/dbraw/zinc/51/18/08/1121511808.db2.gz VTVZWYXKZPMWIA-UHFFFAOYSA-N 0 1 267.332 3.716 20 0 CHADMN CCOc1ccc2ccccc2c1Nc1ccncc1 ZINC001175978593 1121512369 /nfs/dbraw/zinc/51/23/69/1121512369.db2.gz NCCZUFIOHBJJEC-UHFFFAOYSA-N 0 1 264.328 3.799 20 0 CHADMN CC[C@@H](CN(Cc1cccc(C)c1)Cc1ccccn1)OC ZINC000419226623 1121513008 /nfs/dbraw/zinc/51/30/08/1121513008.db2.gz RDYSBFMIDIHEEM-IBGZPJMESA-N 0 1 298.430 3.817 20 0 CHADMN C[C@]1(NCc2cc3cccnc3o2)CCOc2ccccc21 ZINC000923025380 1121513491 /nfs/dbraw/zinc/51/34/91/1121513491.db2.gz OFXJRGPFKNTAFW-SFHVURJKSA-N 0 1 294.354 3.615 20 0 CHADMN C[C@]1(NCc2ccsc2)CCOc2ccccc21 ZINC000923025706 1121513793 /nfs/dbraw/zinc/51/37/93/1121513793.db2.gz NSFGVFJHXAYJDW-HNNXBMFYSA-N 0 1 259.374 3.536 20 0 CHADMN COc1ccc(C)cc1CN[C@]1(C)CCOc2ccccc21 ZINC000923027123 1121515637 /nfs/dbraw/zinc/51/56/37/1121515637.db2.gz YNFMWWUNCJDPKN-LJQANCHMSA-N 0 1 297.398 3.791 20 0 CHADMN Cc1cc2c(cc1N=C1CC(C)(C)CC(C)(C)C1)=NC(=O)N=2 ZINC001175948228 1121515806 /nfs/dbraw/zinc/51/58/06/1121515806.db2.gz YODXEDNQRADSAO-UHFFFAOYSA-N 0 1 297.402 3.510 20 0 CHADMN CCCCN[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000543607872 1121518186 /nfs/dbraw/zinc/51/81/86/1121518186.db2.gz LGDPWMRTKDZJGF-OAHLLOKOSA-N 0 1 277.799 3.553 20 0 CHADMN Cc1cccc2sc(Nc3ccc4n[nH]nc4c3)nc21 ZINC001175997129 1121518372 /nfs/dbraw/zinc/51/83/72/1121518372.db2.gz ZQYKXDKPYCXBMF-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1cccc2sc(Nc3ccc4nn[nH]c4c3)nc21 ZINC001175997129 1121518377 /nfs/dbraw/zinc/51/83/77/1121518377.db2.gz ZQYKXDKPYCXBMF-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN CCOC1CC(CN(C)[C@H](C)c2c(F)cccc2F)C1 ZINC000509294229 1121518297 /nfs/dbraw/zinc/51/82/97/1121518297.db2.gz NFGMKXKRVZYRGM-PNESKVBLSA-N 0 1 283.362 3.773 20 0 CHADMN Clc1cc(Nc2ccc3nn[nH]c3c2)cc2cccnc12 ZINC001176003865 1121520773 /nfs/dbraw/zinc/52/07/73/1121520773.db2.gz UYQSUPAZZUGDMS-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1cc(Nc2ccc3n[nH]nc3c2)cc2cccnc12 ZINC001176003865 1121520780 /nfs/dbraw/zinc/52/07/80/1121520780.db2.gz UYQSUPAZZUGDMS-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Fc1cc(Nc2ccc3nn[nH]c3c2)c(F)cc1Cl ZINC001176004301 1121522109 /nfs/dbraw/zinc/52/21/09/1121522109.db2.gz IOODHXWMVHDSQQ-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN Fc1cc(Nc2ccc3n[nH]nc3c2)c(F)cc1Cl ZINC001176004301 1121522114 /nfs/dbraw/zinc/52/21/14/1121522114.db2.gz IOODHXWMVHDSQQ-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN Cc1ccc2cccnc2c1Nc1ccc2nn[nH]c2c1 ZINC001176002735 1121522215 /nfs/dbraw/zinc/52/22/15/1121522215.db2.gz UCTPYTYYBAJITG-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1ccc2cccnc2c1Nc1ccc2n[nH]nc2c1 ZINC001176002735 1121522224 /nfs/dbraw/zinc/52/22/24/1121522224.db2.gz UCTPYTYYBAJITG-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Clc1cc2cccnc2c(Nc2ccc3nn[nH]c3c2)c1 ZINC001176003590 1121522677 /nfs/dbraw/zinc/52/26/77/1121522677.db2.gz SHKLFWDPDXOCSJ-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1cc2cccnc2c(Nc2ccc3n[nH]nc3c2)c1 ZINC001176003590 1121522684 /nfs/dbraw/zinc/52/26/84/1121522684.db2.gz SHKLFWDPDXOCSJ-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN c1sc(-c2ccccn2)nc1CN1CCCC2(CC2)CC1 ZINC000626113847 1121523106 /nfs/dbraw/zinc/52/31/06/1121523106.db2.gz IYRWSOHHUIFEKK-UHFFFAOYSA-N 0 1 299.443 3.971 20 0 CHADMN Cc1ccc(-c2cc(CN(C3CC3)C3CC3)on2)cc1 ZINC000625838031 1121523386 /nfs/dbraw/zinc/52/33/86/1121523386.db2.gz UCWISNFFOHTLGN-UHFFFAOYSA-N 0 1 268.360 3.777 20 0 CHADMN CCC[C@H](NCc1ccc2nccnc2c1)c1ccccn1 ZINC000634959680 1121525778 /nfs/dbraw/zinc/52/57/78/1121525778.db2.gz YPEYLBFOBSIRHB-HNNXBMFYSA-N 0 1 292.386 3.656 20 0 CHADMN CCn1ccnc1CN(C)C1CCC(C(C)C)CC1 ZINC000433028204 1121525876 /nfs/dbraw/zinc/52/58/76/1121525876.db2.gz NZUCNWGBBUSKGX-UHFFFAOYSA-N 0 1 263.429 3.550 20 0 CHADMN C[C@@H](N[C@H](CO)CC(F)F)c1cccc(Cl)c1Cl ZINC000429455202 1121589031 /nfs/dbraw/zinc/58/90/31/1121589031.db2.gz PLNYPBQCQLXREK-SFYZADRCSA-N 0 1 298.160 3.660 20 0 CHADMN Cc1cccc2c1CN(Cc1cnc3cccc(C)n13)CC2 ZINC000433041971 1121530950 /nfs/dbraw/zinc/53/09/50/1121530950.db2.gz WQFAVNHZOOQVJG-UHFFFAOYSA-N 0 1 291.398 3.509 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@@H](c3ccc(CC)cc3)C2)o1 ZINC000433042979 1121533797 /nfs/dbraw/zinc/53/37/97/1121533797.db2.gz BQZAKLIUKVRBBZ-XJKSGUPXSA-N 0 1 299.418 3.745 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccccc1C(C)(C)C ZINC000466676137 1121533888 /nfs/dbraw/zinc/53/38/88/1121533888.db2.gz KOSVTFWAJRCDNJ-ZIAGYGMSSA-N 0 1 288.435 3.795 20 0 CHADMN C/C(=C\c1ccc(Cl)cc1)CNCc1conc1C ZINC000631208870 1128991905 /nfs/dbraw/zinc/99/19/05/1128991905.db2.gz MUCIJXVZXXLEFG-YRNVUSSQSA-N 0 1 276.767 3.830 20 0 CHADMN CC(C)(C)OC(=O)Nc1ccc(Nc2ncc[nH]2)c(F)c1 ZINC001176085006 1121534883 /nfs/dbraw/zinc/53/48/83/1121534883.db2.gz AZOBWUZVMABNEU-UHFFFAOYSA-N 0 1 292.314 3.639 20 0 CHADMN Oc1cccc(CN(Cc2ccccc2F)CC2CC2)c1 ZINC000512705629 1121536160 /nfs/dbraw/zinc/53/61/60/1121536160.db2.gz NBLKQZBEBJHZEB-UHFFFAOYSA-N 0 1 285.362 3.944 20 0 CHADMN CS[C@@H]1CCCCN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC000619486151 1128992190 /nfs/dbraw/zinc/99/21/90/1128992190.db2.gz SZCVRMNPTMUXKO-GFCCVEGCSA-N 0 1 288.416 3.662 20 0 CHADMN C[C@@H]1C[C@H](NCc2csc(-c3cccs3)n2)[C@@H](C)O1 ZINC000631221067 1128992483 /nfs/dbraw/zinc/99/24/83/1128992483.db2.gz DVVOOIOOPSDFBD-FOGDFJRCSA-N 0 1 294.445 3.527 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC1CCC2(CC2)CC1 ZINC000923229402 1121543442 /nfs/dbraw/zinc/54/34/42/1121543442.db2.gz GTDZTQROKVMZLT-PMPSAXMXSA-N 0 1 291.435 3.675 20 0 CHADMN CC(C)Oc1ccc(CN2C[C@@H]3C[C@@H]3C2)cc1Cl ZINC001176061940 1121544885 /nfs/dbraw/zinc/54/48/85/1121544885.db2.gz LKBHRXGHQCUPDX-BETUJISGSA-N 0 1 265.784 3.579 20 0 CHADMN CCCc1noc(CN2CC[C@H](c3ccc(CC)cc3)C2)n1 ZINC000433058700 1121545070 /nfs/dbraw/zinc/54/50/70/1121545070.db2.gz BIJIPORCFXFCGD-INIZCTEOSA-N 0 1 299.418 3.574 20 0 CHADMN Clc1ccc2nc(SCCOCC3CC3)[nH]c2c1 ZINC000543643062 1121549843 /nfs/dbraw/zinc/54/98/43/1121549843.db2.gz ZNURRLUGPJWQMC-UHFFFAOYSA-N 0 1 282.796 3.735 20 0 CHADMN CN(Cc1cccc(O)c1Cl)CC1(O)CCCCCC1 ZINC000512718743 1121550780 /nfs/dbraw/zinc/55/07/80/1121550780.db2.gz SDUHAWXMVSBDQL-UHFFFAOYSA-N 0 1 297.826 3.563 20 0 CHADMN c1n[nH]nc1SCc1ccc(OCc2ccccc2)cc1 ZINC000466727125 1121573242 /nfs/dbraw/zinc/57/32/42/1121573242.db2.gz HJABSCJBNKKXSG-UHFFFAOYSA-N 0 1 297.383 3.676 20 0 CHADMN Fc1nc(F)c(F)c(NC=CCc2ccccc2)c1F ZINC001176216266 1121575228 /nfs/dbraw/zinc/57/52/28/1121575228.db2.gz CHWAQRPICIGEDP-XBXARRHUSA-N 0 1 282.240 3.806 20 0 CHADMN Clc1ccccc1CNCc1cccc2c1CCOC2 ZINC000631244860 1128994724 /nfs/dbraw/zinc/99/47/24/1128994724.db2.gz FTINZBRPJJZRIK-UHFFFAOYSA-N 0 1 287.790 3.703 20 0 CHADMN Cc1ccc2nc(N)n(-c3c(F)cccc3OC(C)C)c2c1 ZINC001211772905 1121578362 /nfs/dbraw/zinc/57/83/62/1121578362.db2.gz GURILJZMOJVDEC-UHFFFAOYSA-N 0 1 299.349 3.842 20 0 CHADMN Cc1cc(Nc2ccc3c(c2)CCC3=O)c2ccccc2n1 ZINC001176232064 1121581107 /nfs/dbraw/zinc/58/11/07/1121581107.db2.gz ULKNZPDIXRDBRT-UHFFFAOYSA-N 0 1 288.350 3.838 20 0 CHADMN Fc1cc(F)cc(CN[C@@H]2CCc3c2cccc3F)c1 ZINC001176242510 1121584417 /nfs/dbraw/zinc/58/44/17/1121584417.db2.gz ANDKLFKCZBMNJN-MRXNPFEDSA-N 0 1 277.289 3.881 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cncc(C2CC2)c1 ZINC001176283437 1121587213 /nfs/dbraw/zinc/58/72/13/1121587213.db2.gz INBHUWNMMMWWKY-UHFFFAOYSA-N 0 1 282.322 3.798 20 0 CHADMN Fc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)cc1Cl ZINC000631260280 1128995844 /nfs/dbraw/zinc/99/58/44/1128995844.db2.gz KUELIMILAYWWHB-GMSGAONNSA-N 0 1 267.653 3.520 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@H](CC(C)C)C2)n1 ZINC000466744759 1121595970 /nfs/dbraw/zinc/59/59/70/1121595970.db2.gz VVCWNUOHUDRCRA-UONOGXRCSA-N 0 1 279.428 3.841 20 0 CHADMN Cc1cnc(C(C)(C)N[C@@H]2C[C@H]2c2cccc(F)c2)s1 ZINC000411516515 1121601052 /nfs/dbraw/zinc/60/10/52/1121601052.db2.gz CKWUDKWPJQUIIE-UONOGXRCSA-N 0 1 290.407 3.971 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CC[C@@H](COC(F)F)C1 ZINC000512797928 1121603271 /nfs/dbraw/zinc/60/32/71/1121603271.db2.gz RRJPAYVQEGLSBZ-NXEZZACHSA-N 0 1 291.288 3.587 20 0 CHADMN CCCn1ncc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c1C ZINC001138638678 1128997245 /nfs/dbraw/zinc/99/72/45/1128997245.db2.gz FILYVDGGAADZNV-WBVHZDCISA-N 0 1 275.440 3.756 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](C)Cc1cc(-c2cccs2)on1 ZINC000078723306 1121613009 /nfs/dbraw/zinc/61/30/09/1121613009.db2.gz KVYHTDYXAAOENR-JTQLQIEISA-N 0 1 262.378 3.633 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2NCc1scnc1C1CC1 ZINC000486952046 1121616337 /nfs/dbraw/zinc/61/63/37/1121616337.db2.gz ARDMAWBHKUHAPJ-LBPRGKRZSA-N 0 1 274.389 3.781 20 0 CHADMN Cc1cc2cc(CN[C@H]3CCCn4nccc43)oc2cc1C ZINC000631302299 1128997580 /nfs/dbraw/zinc/99/75/80/1128997580.db2.gz YYTRLBXPDOZRMR-INIZCTEOSA-N 0 1 295.386 3.871 20 0 CHADMN Cc1ccncc1C[N@H+](C)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411673241 1121618002 /nfs/dbraw/zinc/61/80/02/1121618002.db2.gz WHFJROUFDVNNCB-DLBZAZTESA-N 0 1 270.351 3.517 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2NCc1ccc(-c2cc[nH]n2)o1 ZINC000433311307 1121644283 /nfs/dbraw/zinc/64/42/83/1121644283.db2.gz GRBOBYKVGJYAOT-OAHLLOKOSA-N 0 1 297.333 3.586 20 0 CHADMN CCCC[C@@H](CC)CN[C@](C)(c1noc(C)n1)C1CC1 ZINC000433308814 1121645259 /nfs/dbraw/zinc/64/52/59/1121645259.db2.gz VPGFHXSTQKTUJJ-CJNGLKHVSA-N 0 1 279.428 3.809 20 0 CHADMN CC[C@@H](F)CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433317215 1121648428 /nfs/dbraw/zinc/64/84/28/1121648428.db2.gz KXXMCRGAXIKIPK-GXTWGEPZSA-N 0 1 255.764 3.877 20 0 CHADMN CS[C@@H]1CCCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000611464541 1121649002 /nfs/dbraw/zinc/64/90/02/1121649002.db2.gz RMONDGFPSUKGSI-GFCCVEGCSA-N 0 1 296.505 3.739 20 0 CHADMN CC[C@@H](NCc1nc(Cc2ccccc2)no1)[C@H]1CC1(C)C ZINC000419321386 1121649623 /nfs/dbraw/zinc/64/96/23/1121649623.db2.gz RAXUTJNYYLYYOZ-HUUCEWRRSA-N 0 1 299.418 3.575 20 0 CHADMN Cc1cc(C)cc(CNc2cccn3cncc23)c1 ZINC001163752969 1121656786 /nfs/dbraw/zinc/65/67/86/1121656786.db2.gz DKLPDUWIHZJHFY-UHFFFAOYSA-N 0 1 251.333 3.563 20 0 CHADMN CC(C)(N[C@@H]1CCC[C@@H](C2CCOCC2)C1)C(F)F ZINC000894146912 1121671338 /nfs/dbraw/zinc/67/13/38/1121671338.db2.gz BMLIVCORXAJHDJ-CHWSQXEVSA-N 0 1 275.383 3.605 20 0 CHADMN Cc1cccc(CN(C)Cc2scnc2C2CC2)c1 ZINC000495058733 1121675185 /nfs/dbraw/zinc/67/51/85/1121675185.db2.gz KFPWDFWGLNFGDI-UHFFFAOYSA-N 0 1 272.417 3.961 20 0 CHADMN FC(F)(F)C1CCN(Cc2scnc2C2CC2)CC1 ZINC000495076921 1121676655 /nfs/dbraw/zinc/67/66/55/1121676655.db2.gz CHMMMSWOXGERBW-UHFFFAOYSA-N 0 1 290.354 3.795 20 0 CHADMN COc1ccc(CN(C)Cc2scnc2C2CC2)cc1 ZINC000495085480 1121676888 /nfs/dbraw/zinc/67/68/88/1121676888.db2.gz OPFJUURUXNOINS-UHFFFAOYSA-N 0 1 288.416 3.661 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccccc2C)no1 ZINC000052212689 1121679400 /nfs/dbraw/zinc/67/94/00/1121679400.db2.gz BOAOVPBBHINXBN-INIZCTEOSA-N 0 1 256.349 3.629 20 0 CHADMN C[C@@]1(C2CC2)COCCN1C/C=C/c1ccc(Cl)cc1 ZINC001176820424 1121695983 /nfs/dbraw/zinc/69/59/83/1121695983.db2.gz ZBSUGTJPARBQSE-YATRRXNKSA-N 0 1 291.822 3.854 20 0 CHADMN CC(C)CCN(C)Cc1cc(-c2cccs2)on1 ZINC000052245803 1121696614 /nfs/dbraw/zinc/69/66/14/1121696614.db2.gz ROOWIQRIZKSDLF-UHFFFAOYSA-N 0 1 264.394 3.881 20 0 CHADMN CCc1nc(C)c(CN[C@H](c2ccc(F)cc2)C2CC2)o1 ZINC000291804293 1121701179 /nfs/dbraw/zinc/70/11/79/1121701179.db2.gz CDQBPZREQKZIFD-KRWDZBQOSA-N 0 1 288.366 3.925 20 0 CHADMN C[C@H](C(=O)Nc1ccccc1Cl)N1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419369434 1121702126 /nfs/dbraw/zinc/70/21/26/1121702126.db2.gz HTLMBMXBAIGGQB-FVCCEPFGSA-N 0 1 294.826 3.643 20 0 CHADMN CCc1noc(C)c1CN1CCc2cc(CC)ccc2C1 ZINC001177008628 1121706260 /nfs/dbraw/zinc/70/62/60/1121706260.db2.gz MOWVOXNWNKHVOC-UHFFFAOYSA-N 0 1 284.403 3.666 20 0 CHADMN Cc1[nH]c2ccc(CNCc3ccoc3)cc2c1C ZINC000727468463 1121721693 /nfs/dbraw/zinc/72/16/93/1121721693.db2.gz LBYYOSPOVYABHQ-UHFFFAOYSA-N 0 1 254.333 3.668 20 0 CHADMN CC(C)CCc1ccccc1NC(=O)CCc1cnc[nH]1 ZINC000526991963 1121728041 /nfs/dbraw/zinc/72/80/41/1121728041.db2.gz JAFHHXQUNCRWHV-UHFFFAOYSA-N 0 1 285.391 3.570 20 0 CHADMN CCOc1ccccc1CNCc1ccc2[nH]ccc2c1 ZINC001177441841 1121732280 /nfs/dbraw/zinc/73/22/80/1121732280.db2.gz JJDVJGIAAKYWRN-UHFFFAOYSA-N 0 1 280.371 3.856 20 0 CHADMN Cc1ccc(CNCc2ccccc2-n2ccnc2)c(F)c1 ZINC001177491752 1121733628 /nfs/dbraw/zinc/73/36/28/1121733628.db2.gz FEHMWBHHUDVMBM-UHFFFAOYSA-N 0 1 295.361 3.610 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@H+](CCC1=CCCCC1)C2 ZINC000058010665 1121742437 /nfs/dbraw/zinc/74/24/37/1121742437.db2.gz YLOIMKUHNDDAJW-UHFFFAOYSA-N 0 1 271.360 3.591 20 0 CHADMN C[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1ncc[nH]1 ZINC000285503971 1121760852 /nfs/dbraw/zinc/76/08/52/1121760852.db2.gz AHRNDUCLXSJIJW-NHYWBVRUSA-N 0 1 273.355 3.741 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)C(C)(C)C)c1ncc[nH]1 ZINC000285528356 1121761505 /nfs/dbraw/zinc/76/15/05/1121761505.db2.gz FGHSVLNONHPFPE-TZMCWYRMSA-N 0 1 257.381 3.848 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2CCC[C@H]1C)c1ncc[nH]1 ZINC000286012916 1121765231 /nfs/dbraw/zinc/76/52/31/1121765231.db2.gz IEKQNKIAPWOTGP-WWGRRREGSA-N 0 1 269.392 3.774 20 0 CHADMN Cc1ccc(CN[C@@H]2COc3ccc(Cl)cc32)cc1 ZINC001178148846 1121768075 /nfs/dbraw/zinc/76/80/75/1121768075.db2.gz VJHUCPJONNFSIP-OAHLLOKOSA-N 0 1 273.763 3.872 20 0 CHADMN Cc1ccccc1[C@@H](N[C@H](C)c1ncc[nH]1)C(C)C ZINC000286376197 1121768300 /nfs/dbraw/zinc/76/83/00/1121768300.db2.gz ZVYJUCSHCBYKPP-HIFRSBDPSA-N 0 1 257.381 3.766 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@H]1CCc2c1cccc2C ZINC000168168518 1121770281 /nfs/dbraw/zinc/77/02/81/1121770281.db2.gz BCBSJHQWOZCQQV-ZBEGNZNMSA-N 0 1 270.376 3.938 20 0 CHADMN CC(C)c1cc(CN[C@@H]2CCCc3ccccc32)on1 ZINC000169274285 1121773528 /nfs/dbraw/zinc/77/35/28/1121773528.db2.gz SEFNKLLVRJOSEY-MRXNPFEDSA-N 0 1 270.376 3.965 20 0 CHADMN CCC[C@H](NCc1ccc(C)nc1)c1cc(C)ccn1 ZINC000631569550 1129008210 /nfs/dbraw/zinc/00/82/10/1129008210.db2.gz KIWJCUQVMZEGKC-INIZCTEOSA-N 0 1 269.392 3.724 20 0 CHADMN Cc1csc(C(C)(C)NC[C@@H]2CCCC(C)(C)O2)n1 ZINC000878250033 1121775228 /nfs/dbraw/zinc/77/52/28/1121775228.db2.gz XFXOPHSXFQZQIE-LBPRGKRZSA-N 0 1 282.453 3.624 20 0 CHADMN CCCCN(CC)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000027272710 1121776433 /nfs/dbraw/zinc/77/64/33/1121776433.db2.gz CFBANVZCJFPRJW-UHFFFAOYSA-N 0 1 293.798 3.611 20 0 CHADMN CCC/C=C/C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000729346737 1121779646 /nfs/dbraw/zinc/77/96/46/1121779646.db2.gz CXZGKQQBJDYUAR-NFBGWVBBSA-N 0 1 299.374 3.709 20 0 CHADMN CCC[C@@H](NCc1cnc(C)s1)c1cc(C)ccn1 ZINC000631577179 1129008842 /nfs/dbraw/zinc/00/88/42/1129008842.db2.gz HJTSLHAEVINGDV-CQSZACIVSA-N 0 1 275.421 3.786 20 0 CHADMN CCC1(CNCc2nn(C)cc2Cl)CCCCC1 ZINC001178430349 1121783301 /nfs/dbraw/zinc/78/33/01/1121783301.db2.gz FXLWIEOTOCNRRV-UHFFFAOYSA-N 0 1 269.820 3.524 20 0 CHADMN CC(C)CSCCNCc1c(Cl)cncc1Cl ZINC001178412412 1121786198 /nfs/dbraw/zinc/78/61/98/1121786198.db2.gz QLGFZYKNTFXYLB-UHFFFAOYSA-N 0 1 293.263 3.867 20 0 CHADMN CC(=O)Nc1cccc(CN[C@H]2CCc3ccc(F)cc32)c1 ZINC000174992996 1121788897 /nfs/dbraw/zinc/78/88/97/1121788897.db2.gz ALXMMGPOCKVUPO-SFHVURJKSA-N 0 1 298.361 3.561 20 0 CHADMN S=c1ncccn1CN1CCC[C@@H](Cc2ccccc2)C1 ZINC000729985200 1121789847 /nfs/dbraw/zinc/78/98/47/1121789847.db2.gz KFBYBDOAAVFOKL-INIZCTEOSA-N 0 1 299.443 3.525 20 0 CHADMN CCCCCC[C@@H](CC)C(=O)NCc1cnc(CC)[nH]1 ZINC001178669896 1121804144 /nfs/dbraw/zinc/80/41/44/1121804144.db2.gz QNRZAQRBKRIVCX-CYBMUJFWSA-N 0 1 279.428 3.585 20 0 CHADMN COc1cc(C)ccc1CN[C@@H]1CCCc2ncccc21 ZINC000631591348 1129011198 /nfs/dbraw/zinc/01/11/98/1129011198.db2.gz USQXXZCWFDGJEJ-QGZVFWFLSA-N 0 1 282.387 3.566 20 0 CHADMN Cc1cccc(C)c1OCCNCc1c(F)cccc1F ZINC000513589235 1121830985 /nfs/dbraw/zinc/83/09/85/1121830985.db2.gz UYKQAXZOVOJLME-UHFFFAOYSA-N 0 1 291.341 3.750 20 0 CHADMN COc1ccc2c(c1)CC[C@@H]2NCc1ccc(Cl)o1 ZINC000631604913 1129012456 /nfs/dbraw/zinc/01/24/56/1129012456.db2.gz BRKILHVQWUYPIO-AWEZNQCLSA-N 0 1 277.751 3.719 20 0 CHADMN CC(C)C[C@@H]1C[C@H]1N[C@H](c1ccccc1)c1cncnc1 ZINC000414187928 1121835336 /nfs/dbraw/zinc/83/53/36/1121835336.db2.gz QVDDSQPBRJSJJP-KBAYOESNSA-N 0 1 281.403 3.590 20 0 CHADMN COc1ccc2c(c1)CC[C@H]2N[C@@H]1COc2ccc(C)cc21 ZINC000631600793 1129012711 /nfs/dbraw/zinc/01/27/11/1129012711.db2.gz SSRKVXYQHSBCKR-QZTJIDSGSA-N 0 1 295.382 3.714 20 0 CHADMN Cc1cc(F)ccc1CN[C@H]1C[C@]1(F)c1ccccc1 ZINC001178998616 1121838339 /nfs/dbraw/zinc/83/83/39/1121838339.db2.gz PFBPAJDDXLUNAZ-IRXDYDNUSA-N 0 1 273.326 3.861 20 0 CHADMN CCC[C@H](NCc1cnc2onc(C)c2c1)c1ccccn1 ZINC000894234318 1121838325 /nfs/dbraw/zinc/83/83/25/1121838325.db2.gz FQWQNYOTOZSGHD-HNNXBMFYSA-N 0 1 296.374 3.557 20 0 CHADMN Cc1cc(F)c(CN[C@@H]2C[C@H]2C2CCC2)c(F)c1 ZINC001178998296 1121838596 /nfs/dbraw/zinc/83/85/96/1121838596.db2.gz IQTBDBXRALEPMA-XHDPSFHLSA-N 0 1 251.320 3.551 20 0 CHADMN CCCCCCC(=O)N1CCCC[C@H]1c1cc(C)[nH]n1 ZINC001179151839 1121854058 /nfs/dbraw/zinc/85/40/58/1121854058.db2.gz HIHKIGDYFPROMR-HNNXBMFYSA-N 0 1 277.412 3.742 20 0 CHADMN Cc1cc([C@H]2CCCCN2C(=O)C=C(C2CC2)C2CC2)n[nH]1 ZINC001179152769 1121854207 /nfs/dbraw/zinc/85/42/07/1121854207.db2.gz XDWNABKINQLYEC-QGZVFWFLSA-N 0 1 299.418 3.518 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)C[C@H]2CCC[C@@H]2C)n[nH]1 ZINC001179152895 1121854540 /nfs/dbraw/zinc/85/45/40/1121854540.db2.gz ZFCKSWFDZWFTHB-BJJXKVORSA-N 0 1 289.423 3.598 20 0 CHADMN C[Si](C)(C)CN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000731213168 1121855120 /nfs/dbraw/zinc/85/51/20/1121855120.db2.gz MCOKTGDIGYRUKL-CQSZACIVSA-N 0 1 283.875 3.591 20 0 CHADMN Cc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCC2)n[nH]1 ZINC001179158842 1121856151 /nfs/dbraw/zinc/85/61/51/1121856151.db2.gz CRHTYDZQUVXUEJ-ZNFPLGDCSA-N 0 1 287.407 3.518 20 0 CHADMN C[C@H](NC/C=C/c1cccc(F)c1)c1ccns1 ZINC001179299705 1121867389 /nfs/dbraw/zinc/86/73/89/1121867389.db2.gz WLZGOXGAAXCXNY-TZNOJPMFSA-N 0 1 262.353 3.646 20 0 CHADMN O=C(Nc1ccc2cncn2c1)c1sccc1C1CC1 ZINC001179304794 1121867816 /nfs/dbraw/zinc/86/78/16/1121867816.db2.gz YVXMUKCTXYOXOW-UHFFFAOYSA-N 0 1 283.356 3.526 20 0 CHADMN CC(C)(F)CNCc1cccc(Cl)c1Cl ZINC001179315287 1121872042 /nfs/dbraw/zinc/87/20/42/1121872042.db2.gz KROOTRBZLMQBMG-UHFFFAOYSA-N 0 1 250.144 3.831 20 0 CHADMN Cc1ccccc1O[C@@H]1CCCN(Cc2ccoc2)C1 ZINC001204243213 1121874025 /nfs/dbraw/zinc/87/40/25/1121874025.db2.gz NFEIEPSEAAKPOB-MRXNPFEDSA-N 0 1 271.360 3.631 20 0 CHADMN Clc1ccc(O[C@@H]2CCCN(Cc3ccoc3)C2)cc1 ZINC001204244271 1121875601 /nfs/dbraw/zinc/87/56/01/1121875601.db2.gz WCDIZDNTQQIVKG-MRXNPFEDSA-N 0 1 291.778 3.976 20 0 CHADMN CCC1CCN(Cn2ccc(-c3ccccc3)n2)CC1 ZINC000731659409 1121876638 /nfs/dbraw/zinc/87/66/38/1121876638.db2.gz BHGFNNIZAGVXSM-UHFFFAOYSA-N 0 1 269.392 3.630 20 0 CHADMN C[C@H]1CC[C@H](C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000345395574 1121879746 /nfs/dbraw/zinc/87/97/46/1121879746.db2.gz SORZFYFCGJAGOA-IUCAKERBSA-N 0 1 293.317 3.875 20 0 CHADMN FC(F)(F)Oc1ccccc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC001179426462 1121879977 /nfs/dbraw/zinc/87/99/77/1121879977.db2.gz YEFGMFUNPRDANN-RKDXNWHRSA-N 0 1 299.214 3.626 20 0 CHADMN CCC[C@H](NCc1cnccc1C)c1cc(C)ccn1 ZINC000631633660 1129015815 /nfs/dbraw/zinc/01/58/15/1129015815.db2.gz WVQVJTMYQOESKR-INIZCTEOSA-N 0 1 269.392 3.724 20 0 CHADMN Fc1ccc(-c2cc(-c3nc(C4CCCC4)no3)[nH]n2)cc1 ZINC000345429034 1121886012 /nfs/dbraw/zinc/88/60/12/1121886012.db2.gz WPHKWIGYKWPOES-UHFFFAOYSA-N 0 1 298.321 3.923 20 0 CHADMN Cc1cccc(C)c1CNCc1noc2ccccc12 ZINC001179571122 1121889460 /nfs/dbraw/zinc/88/94/60/1121889460.db2.gz YWWCGBWNIBFDQH-UHFFFAOYSA-N 0 1 266.344 3.734 20 0 CHADMN CCCCCCN(C)CC(=O)N(CC)c1ccc(F)cc1 ZINC000731894128 1121891613 /nfs/dbraw/zinc/89/16/13/1121891613.db2.gz IIUWVDDSUXAYIQ-UHFFFAOYSA-N 0 1 294.414 3.691 20 0 CHADMN CS[C@H](C)CCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000345598581 1121898945 /nfs/dbraw/zinc/89/89/45/1121898945.db2.gz BDWXTNXPNOTXIW-SSDOTTSWSA-N 0 1 291.775 3.655 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@@H]2C[C@@H]2C2CCCC2)c1Cl ZINC001179817958 1121913070 /nfs/dbraw/zinc/91/30/70/1121913070.db2.gz SVWGMUHDLUEVAF-UONOGXRCSA-N 0 1 279.811 3.962 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2csc(C(F)(F)F)c2)C1 ZINC001179898575 1121918581 /nfs/dbraw/zinc/91/85/81/1121918581.db2.gz PZVWUTLROJBCBC-BDAKNGLRSA-N 0 1 263.328 3.997 20 0 CHADMN CC(C)N(Cc1cccs1)Cc1ccc(F)cn1 ZINC000345814015 1121920156 /nfs/dbraw/zinc/92/01/56/1121920156.db2.gz QOYQWMFVQUDRPR-UHFFFAOYSA-N 0 1 264.369 3.693 20 0 CHADMN CC[C@H](c1ccccc1)N1CCN(Cc2cc(C)co2)CC1 ZINC001179882053 1121923600 /nfs/dbraw/zinc/92/36/00/1121923600.db2.gz NEZIZIPZTJKAJI-LJQANCHMSA-N 0 1 298.430 3.857 20 0 CHADMN CCCCCC(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732548296 1121925974 /nfs/dbraw/zinc/92/59/74/1121925974.db2.gz SQFONAFYNGBVCM-SNVBAGLBSA-N 0 1 293.798 3.974 20 0 CHADMN CC(C)(C)c1nc(CN2CCC[C@@]2(C)CCCO)cs1 ZINC000345929204 1121931251 /nfs/dbraw/zinc/93/12/51/1121931251.db2.gz AYZVLWHRZUZINZ-INIZCTEOSA-N 0 1 296.480 3.568 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2cc(OC)c(OC)cc2F)C1 ZINC001179955931 1121934004 /nfs/dbraw/zinc/93/40/04/1121934004.db2.gz BQCFSVIPDIBUDS-KRWDZBQOSA-N 0 1 295.398 3.855 20 0 CHADMN CC(C)C[N@@H+](Cc1ccc(F)c(F)c1F)C(C)C ZINC001180011976 1121938932 /nfs/dbraw/zinc/93/89/32/1121938932.db2.gz WIVJVRACOROGQP-UHFFFAOYSA-N 0 1 259.315 3.970 20 0 CHADMN COc1cc(F)cc(CN2CCS[C@H]3CCCC[C@@H]32)c1 ZINC001180052691 1121943615 /nfs/dbraw/zinc/94/36/15/1121943615.db2.gz SYHVVSFYVGECBG-HOTGVXAUSA-N 0 1 295.423 3.694 20 0 CHADMN CCCC1CCN(Cc2ccc(OC)c(OC)c2F)CC1 ZINC001180064656 1121945880 /nfs/dbraw/zinc/94/58/80/1121945880.db2.gz QZXWPAJOPMTLCL-UHFFFAOYSA-N 0 1 295.398 3.855 20 0 CHADMN Cc1cccc2nc(NC(=O)[C@H](F)c3ccccc3)[nH]c21 ZINC001180141484 1121949449 /nfs/dbraw/zinc/94/94/49/1121949449.db2.gz XLKPFKFPMCOUFM-CYBMUJFWSA-N 0 1 283.306 3.521 20 0 CHADMN CCC[C@@H](C)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000501137939 1121959250 /nfs/dbraw/zinc/95/92/50/1121959250.db2.gz DPHUPZNUAISMMS-IUODEOHRSA-N 0 1 267.800 3.902 20 0 CHADMN O[C@@H](C[N@H+]1CCC[C@@H]1c1ccc[nH]1)c1cccc(Cl)c1 ZINC000072578266 1121967172 /nfs/dbraw/zinc/96/71/72/1121967172.db2.gz KHRVUBFQJTXFEE-CVEARBPZSA-N 0 1 290.794 3.539 20 0 CHADMN O[C@@H](CN1CCC[C@@H]1c1ccc[nH]1)c1cccc(Cl)c1 ZINC000072578266 1121967180 /nfs/dbraw/zinc/96/71/80/1121967180.db2.gz KHRVUBFQJTXFEE-CVEARBPZSA-N 0 1 290.794 3.539 20 0 CHADMN Cc1ccc(C[C@H]2CCCN2Cn2cc(Cl)cn2)cc1 ZINC000733301134 1121972697 /nfs/dbraw/zinc/97/26/97/1121972697.db2.gz YUWQYQSPTMBORT-MRXNPFEDSA-N 0 1 289.810 3.510 20 0 CHADMN CC(C)c1cnc(CN2CC[C@@H](c3ccccc3)C2)o1 ZINC000733308944 1121974398 /nfs/dbraw/zinc/97/43/98/1121974398.db2.gz VXLYDAXDCCSLBH-OAHLLOKOSA-N 0 1 270.376 3.788 20 0 CHADMN C[C@@]1(F)CCN(Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000501389597 1121974810 /nfs/dbraw/zinc/97/48/10/1121974810.db2.gz CIWHAXXAYCIILZ-CYBMUJFWSA-N 0 1 291.288 3.562 20 0 CHADMN CC(C)OC[C@H](C)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000501412531 1121975767 /nfs/dbraw/zinc/97/57/67/1121975767.db2.gz MQMFMCXMRHWDGD-RYUDHWBXSA-N 0 1 284.469 3.905 20 0 CHADMN CC[C@H]1CCCCN1Cc1cncc(Br)c1C ZINC001180372333 1121984089 /nfs/dbraw/zinc/98/40/89/1121984089.db2.gz QEFLHXWNPYZDBV-ZDUSSCGKSA-N 0 1 297.240 3.917 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2CCCc3cccnc32)s1 ZINC000631708524 1129022973 /nfs/dbraw/zinc/02/29/73/1129022973.db2.gz OXBYRPRCLOXFLM-GXFFZTMASA-N 0 1 273.405 3.575 20 0 CHADMN CCn1ccc(CN(Cc2ccccc2)[C@@H](C)C2CC2)n1 ZINC001180404760 1121987142 /nfs/dbraw/zinc/98/71/42/1121987142.db2.gz YSNUZNXWGQQUDZ-HNNXBMFYSA-N 0 1 283.419 3.704 20 0 CHADMN CCc1ncc(CN(C)[C@H](CC)c2cccc(OC)c2)cn1 ZINC000414445914 1121990793 /nfs/dbraw/zinc/99/07/93/1121990793.db2.gz UDZXHZVKRWNEHI-QGZVFWFLSA-N 0 1 299.418 3.631 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@@H](C)c1cnc(C)s1 ZINC000631709830 1129023359 /nfs/dbraw/zinc/02/33/59/1129023359.db2.gz VWIWQGMWGFROSJ-QWRGUYRKSA-N 0 1 275.421 3.821 20 0 CHADMN CC[C@H]1C[C@@]1(NCc1ccc(C)nn1)c1cccc(C)c1 ZINC000414448276 1121993202 /nfs/dbraw/zinc/99/32/02/1121993202.db2.gz MUMFIHAMUQSJBM-YJBOKZPZSA-N 0 1 281.403 3.508 20 0 CHADMN CC[C@@H]1C[C@]1(NCc1ccc(C)nn1)c1cccc(C)c1 ZINC000414448269 1121993848 /nfs/dbraw/zinc/99/38/48/1121993848.db2.gz MUMFIHAMUQSJBM-CRAIPNDOSA-N 0 1 281.403 3.508 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H]2CCCc3ncccc32)s1 ZINC000631711080 1129023767 /nfs/dbraw/zinc/02/37/67/1129023767.db2.gz ZHYWMUYIIOJFCL-YGRLFVJLSA-N 0 1 273.405 3.575 20 0 CHADMN C[C@@H](c1cc2ccccc2o1)N(C)Cc1cccnc1N ZINC001180539890 1121998065 /nfs/dbraw/zinc/99/80/65/1121998065.db2.gz CZYDEAMTYZLWDS-LBPRGKRZSA-N 0 1 281.359 3.603 20 0 CHADMN CCc1ncc(CN[C@]2(c3cccc(C)c3)C[C@@H]2CC)cn1 ZINC000414451906 1121999051 /nfs/dbraw/zinc/99/90/51/1121999051.db2.gz OJYRLOZEODGAFS-QFBILLFUSA-N 0 1 295.430 3.762 20 0 CHADMN CCc1nc(C)c([C@@H](C)NCc2ccc(C)o2)s1 ZINC000631728879 1129024415 /nfs/dbraw/zinc/02/44/15/1129024415.db2.gz ZYSIKRBQFMAHOA-SNVBAGLBSA-N 0 1 264.394 3.766 20 0 CHADMN CCCn1cc(CN2C[C@@H](C)C[C@@H]2c2cccnc2)c(C)n1 ZINC001180666121 1122006318 /nfs/dbraw/zinc/00/63/18/1122006318.db2.gz QXKIHYXQHYJXKT-KBXCAEBGSA-N 0 1 298.434 3.580 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000501784274 1122007947 /nfs/dbraw/zinc/00/79/47/1122007947.db2.gz FAUPHKVMCWOLPM-DGCLKSJQSA-N 0 1 294.826 3.565 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1CC[C@@H](C)[C@H](C)C1 ZINC000501784274 1122007955 /nfs/dbraw/zinc/00/79/55/1122007955.db2.gz FAUPHKVMCWOLPM-DGCLKSJQSA-N 0 1 294.826 3.565 20 0 CHADMN C[C@H]1CN(Cc2nc(C(C)(C)C)cs2)CC[C@@H]1C ZINC000501788222 1122008316 /nfs/dbraw/zinc/00/83/16/1122008316.db2.gz DLZGGHILJWMZST-RYUDHWBXSA-N 0 1 266.454 3.919 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H](C)[C@H](C)C1 ZINC000501807410 1122009434 /nfs/dbraw/zinc/00/94/34/1122009434.db2.gz XBEXPMDCBVJILI-WCQYABFASA-N 0 1 294.826 3.565 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccccc2N(C)C)o1 ZINC000631727465 1129024818 /nfs/dbraw/zinc/02/48/18/1129024818.db2.gz BCYQCIXOMSUHDS-ZDUSSCGKSA-N 0 1 258.365 3.505 20 0 CHADMN Oc1c(F)cc(F)c(Cc2c(F)cccc2F)c1F ZINC001249986879 1122016621 /nfs/dbraw/zinc/01/66/21/1122016621.db2.gz RFRVTGCRCMEDGF-UHFFFAOYSA-N 0 1 274.188 3.679 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1ccc(C)o1)CCS2 ZINC000631729718 1129025376 /nfs/dbraw/zinc/02/53/76/1129025376.db2.gz HWJOOPWXYBUVAM-HNNXBMFYSA-N 0 1 289.400 3.923 20 0 CHADMN CC[C@H](C)N1CCc2cc(Br)ccc2C1 ZINC000501921972 1122024666 /nfs/dbraw/zinc/02/46/66/1122024666.db2.gz OQMMVVHSRFRPLB-JTQLQIEISA-N 0 1 268.198 3.606 20 0 CHADMN Cc1[nH]c2ccccc2c1CN1CC[C@@](C)(F)[C@@H](F)C1 ZINC001204291745 1122042982 /nfs/dbraw/zinc/04/29/82/1122042982.db2.gz QBXCTDZXVRJUKV-JKSUJKDBSA-N 0 1 278.346 3.748 20 0 CHADMN COC[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC000631753236 1129027559 /nfs/dbraw/zinc/02/75/59/1129027559.db2.gz HSSOIDPJLWGUHB-UTUOFQBUSA-N 0 1 293.716 3.568 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CC[C@@H](C2CCCC2)C1 ZINC000420962581 1122051955 /nfs/dbraw/zinc/05/19/55/1122051955.db2.gz LEZJETKYFYUQBM-GXTWGEPZSA-N 0 1 291.439 3.940 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(F)c(F)c1 ZINC000631755782 1129028404 /nfs/dbraw/zinc/02/84/04/1129028404.db2.gz FKPPKFGJMVKSKV-AZTOOPQRSA-N 0 1 265.225 3.566 20 0 CHADMN CCCc1noc(CN2CC[C@@H](c3ccccc3)C2(C)C)n1 ZINC000421029721 1122063064 /nfs/dbraw/zinc/06/30/64/1122063064.db2.gz XVRVMNMVEOGUQS-HNNXBMFYSA-N 0 1 299.418 3.790 20 0 CHADMN CC(C)[C@@H](C)NC(=O)CN(C(C)C)[C@H](C)c1ccsc1 ZINC000421020071 1122064571 /nfs/dbraw/zinc/06/45/71/1122064571.db2.gz YQBHEPAPYIRLBC-ZIAGYGMSSA-N 0 1 296.480 3.680 20 0 CHADMN O=C(Nc1c(Cl)ccc(O)c1Cl)[C@H]1C[C@@]1(F)Cl ZINC001181664392 1122068913 /nfs/dbraw/zinc/06/89/13/1122068913.db2.gz HTTBATHPZWASGD-KNODYTOMSA-N 0 1 298.528 3.562 20 0 CHADMN CN(Cc1cccn1C)Cc1cccc(C2CC2)c1 ZINC000421318418 1122092205 /nfs/dbraw/zinc/09/22/05/1122092205.db2.gz FIWFAQWVWQAOBS-UHFFFAOYSA-N 0 1 254.377 3.535 20 0 CHADMN Cc1c(Cl)c(CN2[C@H](C)C[C@H]3CCCC[C@H]32)nn1C ZINC000421318503 1122092381 /nfs/dbraw/zinc/09/23/81/1122092381.db2.gz FZQKIGYKPNOFIY-MPKXVKKWSA-N 0 1 281.831 3.535 20 0 CHADMN C[C@@H](c1ccccc1)[N@H+]1CCc2cccc(F)c2C1 ZINC000502510129 1122095141 /nfs/dbraw/zinc/09/51/41/1122095141.db2.gz ZHQAVWIMFSZQCM-ZDUSSCGKSA-N 0 1 255.336 3.945 20 0 CHADMN C[C@@H](c1ccccc1)N1CCc2cccc(F)c2C1 ZINC000502510129 1122095145 /nfs/dbraw/zinc/09/51/45/1122095145.db2.gz ZHQAVWIMFSZQCM-ZDUSSCGKSA-N 0 1 255.336 3.945 20 0 CHADMN CN(Cc1cccnc1)Cc1cccc(C2CC2)c1 ZINC000421336590 1122099678 /nfs/dbraw/zinc/09/96/78/1122099678.db2.gz APBLOBOEBYBGBI-UHFFFAOYSA-N 0 1 252.361 3.591 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnc3ccccc3n2)ccc1F ZINC001181954505 1122100276 /nfs/dbraw/zinc/10/02/76/1122100276.db2.gz ABNWYFKJCSRNKO-CYBMUJFWSA-N 0 1 295.361 3.928 20 0 CHADMN Cc1cc(CN2CC[C@H](c3ccccc3F)C2)cnc1F ZINC001181985945 1122101162 /nfs/dbraw/zinc/10/11/62/1122101162.db2.gz IQFXXMDSXBWNOH-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN CCCn1cc(CN[C@H](CC(F)F)c2ccccc2)cn1 ZINC000421367320 1122101859 /nfs/dbraw/zinc/10/18/59/1122101859.db2.gz DQYPEKJTHBKRCR-OAHLLOKOSA-N 0 1 293.361 3.779 20 0 CHADMN Cc1cc(CNCc2ccccc2OCC2CC2)cc(C)n1 ZINC000421366276 1122102215 /nfs/dbraw/zinc/10/22/15/1122102215.db2.gz AGLUEBXLEWGSSV-UHFFFAOYSA-N 0 1 296.414 3.777 20 0 CHADMN CC(C)n1cc(CN[C@H](CC(F)F)c2ccccc2)cn1 ZINC000421378376 1122105218 /nfs/dbraw/zinc/10/52/18/1122105218.db2.gz VAZZDVAITCMMGT-OAHLLOKOSA-N 0 1 293.361 3.950 20 0 CHADMN Cc1cc(C)c(NC(=O)Cc2n[nH]c3ccccc23)cc1C ZINC001182059817 1122108073 /nfs/dbraw/zinc/10/80/73/1122108073.db2.gz ALHRWYNYSUWPNE-UHFFFAOYSA-N 0 1 293.370 3.669 20 0 CHADMN CC[C@H]1C[C@@]1(NCc1ccc(F)cn1)c1cccc(C)c1 ZINC000502560882 1122109460 /nfs/dbraw/zinc/10/94/60/1122109460.db2.gz ALTMVCWWURWYMD-KSSFIOAISA-N 0 1 284.378 3.944 20 0 CHADMN Cc1cc(F)c(CNCCCC2(O)CCC2)c(Cl)c1 ZINC000421388706 1122109904 /nfs/dbraw/zinc/10/99/04/1122109904.db2.gz QIAKZYXJRFJWNM-UHFFFAOYSA-N 0 1 285.790 3.572 20 0 CHADMN CC(C)n1cc(CN2CCC[C@@H](CC(F)(F)F)C2)cn1 ZINC000421393407 1122110687 /nfs/dbraw/zinc/11/06/87/1122110687.db2.gz RTFTZEBFVACISF-LBPRGKRZSA-N 0 1 289.345 3.628 20 0 CHADMN Fc1ccccc1COC1CCN(Cc2ccoc2)CC1 ZINC000779604321 1129032405 /nfs/dbraw/zinc/03/24/05/1129032405.db2.gz VXNQBDJWNGXLOT-UHFFFAOYSA-N 0 1 289.350 3.600 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263097630 1129033357 /nfs/dbraw/zinc/03/33/57/1129033357.db2.gz ATHZRLUOFYKZMZ-JFGNBEQYSA-N 0 1 299.773 3.583 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263097631 1129033381 /nfs/dbraw/zinc/03/33/81/1129033381.db2.gz ATHZRLUOFYKZMZ-SCVCMEIPSA-N 0 1 299.773 3.583 20 0 CHADMN Cc1ccc(CN2CC3(CCOCC3)[C@@H]2c2ccccc2)o1 ZINC000414543819 1122149187 /nfs/dbraw/zinc/14/91/87/1122149187.db2.gz DPEGJOQGHOFDJG-SFHVURJKSA-N 0 1 297.398 3.942 20 0 CHADMN CCC(=O)c1cccc(NC(=O)c2[nH]cnc2C(C)(C)C)c1 ZINC000631990335 1129034881 /nfs/dbraw/zinc/03/48/81/1129034881.db2.gz NAMBJDBQWLIFMO-UHFFFAOYSA-N 0 1 299.374 3.552 20 0 CHADMN C[C@H](NCCCc1c(F)cccc1Cl)c1csnn1 ZINC000414553127 1122153660 /nfs/dbraw/zinc/15/36/60/1122153660.db2.gz SNFRLIPTKUVMDT-VIFPVBQESA-N 0 1 299.802 3.614 20 0 CHADMN Cc1ccccc1[C@]1(F)CC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000502902390 1122157033 /nfs/dbraw/zinc/15/70/33/1122157033.db2.gz ICZCRVUKBMNQDY-QAPCUYQASA-N 0 1 291.410 3.823 20 0 CHADMN Cc1ccccc1[C@]1(F)CCN(C[C@H]2CCC(C)(C)O2)C1 ZINC000502902390 1122157036 /nfs/dbraw/zinc/15/70/36/1122157036.db2.gz ICZCRVUKBMNQDY-QAPCUYQASA-N 0 1 291.410 3.823 20 0 CHADMN Cc1cccnc1CN1CC[C@@](F)(c2ccccc2C)C1 ZINC000502903039 1122157270 /nfs/dbraw/zinc/15/72/70/1122157270.db2.gz KZOPRCAYZWNGRG-SFHVURJKSA-N 0 1 284.378 3.769 20 0 CHADMN Cc1cc(F)cc([C@@]2(F)CCN(C[C@H]3CCSC3)C2)c1 ZINC000503043139 1122163376 /nfs/dbraw/zinc/16/33/76/1122163376.db2.gz CIIQHFXSPVAAFS-CZUORRHYSA-N 0 1 297.414 3.758 20 0 CHADMN Cc1cc(F)cc([C@]2(F)CCN(C[C@H]3CCSC3)C2)c1 ZINC000503043137 1122163656 /nfs/dbraw/zinc/16/36/56/1122163656.db2.gz CIIQHFXSPVAAFS-CJNGLKHVSA-N 0 1 297.414 3.758 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263375233 1129035654 /nfs/dbraw/zinc/03/56/54/1129035654.db2.gz WMBRCPHXCGJGIX-HBUWYVDXSA-N 0 1 297.398 3.943 20 0 CHADMN Cc1ccccc1[C@@]1(F)CCN(Cc2cccc(O)c2)C1 ZINC000503073632 1122166108 /nfs/dbraw/zinc/16/61/08/1122166108.db2.gz MVVWXNDIQKHXSQ-GOSISDBHSA-N 0 1 285.362 3.771 20 0 CHADMN COc1ccc(CN2CCSC[C@H]2C2CCC2)c(F)c1 ZINC001182464212 1122166718 /nfs/dbraw/zinc/16/67/18/1122166718.db2.gz YRHLFXNOBMIJSE-INIZCTEOSA-N 0 1 295.423 3.552 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](Cc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000263371490 1129036232 /nfs/dbraw/zinc/03/62/32/1129036232.db2.gz YIIWCMVSXFMKGA-CQSZACIVSA-N 0 1 295.382 3.791 20 0 CHADMN Cc1cc([C@H](C)NCc2ccns2)c(C)s1 ZINC000404418043 1122174287 /nfs/dbraw/zinc/17/42/87/1122174287.db2.gz AQWSULXPDFLOCW-VIFPVBQESA-N 0 1 252.408 3.672 20 0 CHADMN C[C@@H](CC[N@H+]1C[C@H](C)OC2(CCC2)C1)c1ccccc1 ZINC001182703516 1122183445 /nfs/dbraw/zinc/18/34/45/1122183445.db2.gz JDBRUGZZYSYWSV-HOTGVXAUSA-N 0 1 273.420 3.824 20 0 CHADMN Cc1coc(C[N@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC001182763374 1122185919 /nfs/dbraw/zinc/18/59/19/1122185919.db2.gz DLKIOHKXULBTAI-INIZCTEOSA-N 0 1 273.401 3.878 20 0 CHADMN Cc1coc(CN2CCS[C@H](c3ccccc3)C2)c1 ZINC001182763374 1122185924 /nfs/dbraw/zinc/18/59/24/1122185924.db2.gz DLKIOHKXULBTAI-INIZCTEOSA-N 0 1 273.401 3.878 20 0 CHADMN CC(C)n1cc([C@@H](C)NC2(c3ccccc3)CC2)cn1 ZINC000272005006 1122187108 /nfs/dbraw/zinc/18/71/08/1122187108.db2.gz OZJQDNDJGQFKMK-CQSZACIVSA-N 0 1 269.392 3.804 20 0 CHADMN CC(C)n1cc([C@H](C)NC2(c3ccccc3)CC2)cn1 ZINC000272005004 1122187248 /nfs/dbraw/zinc/18/72/48/1122187248.db2.gz OZJQDNDJGQFKMK-AWEZNQCLSA-N 0 1 269.392 3.804 20 0 CHADMN C[C@@H](COCC1CC1)NCc1c(Cl)oc2ccccc21 ZINC001182743137 1122187515 /nfs/dbraw/zinc/18/75/15/1122187515.db2.gz MJRHSOPUURIRMV-NSHDSACASA-N 0 1 293.794 3.991 20 0 CHADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCCC1CCCCC1 ZINC000263523113 1129037574 /nfs/dbraw/zinc/03/75/74/1129037574.db2.gz RYKSGFRVCDTRNX-ZFWWWQNUSA-N 0 1 267.413 3.532 20 0 CHADMN CCC(CC)CCCN(C)Cc1cn(C2CC2)cn1 ZINC001182959544 1122196856 /nfs/dbraw/zinc/19/68/56/1122196856.db2.gz KEWKILXHBZSZMK-UHFFFAOYSA-N 0 1 263.429 3.866 20 0 CHADMN CC(C)[C@H](CN1CCO[C@](C)(C(F)F)C1)c1ccccc1 ZINC001182990733 1122199641 /nfs/dbraw/zinc/19/96/41/1122199641.db2.gz RTDIVGXIMYPBMX-RDJZCZTQSA-N 0 1 297.389 3.782 20 0 CHADMN C[C@H](NCc1ccns1)c1ccc(Cl)s1 ZINC000404475034 1122200842 /nfs/dbraw/zinc/20/08/42/1122200842.db2.gz PSAAUTPBTOXYBG-ZETCQYMHSA-N 0 1 258.799 3.709 20 0 CHADMN COCC[C@@H](N[C@@H](C)c1cccc(F)c1)c1ccco1 ZINC000272427064 1122202448 /nfs/dbraw/zinc/20/24/48/1122202448.db2.gz IXZOKLMHCMUHMS-SWLSCSKDSA-N 0 1 277.339 3.847 20 0 CHADMN CC[C@@H](N[C@H](CCO)c1ccccc1)c1ccccc1F ZINC000272519131 1122205210 /nfs/dbraw/zinc/20/52/10/1122205210.db2.gz XZZDUOIVKHFDFU-QZTJIDSGSA-N 0 1 287.378 3.990 20 0 CHADMN COCC[C@H](N[C@@H]1CCc2ccc(C)cc21)c1ccco1 ZINC000272599643 1122208070 /nfs/dbraw/zinc/20/80/70/1122208070.db2.gz UANNJZUQOBATEH-SJORKVTESA-N 0 1 285.387 3.943 20 0 CHADMN COCC[C@H](N[C@@H](C)c1ccc(OC)cc1)c1ccco1 ZINC000272616143 1122208144 /nfs/dbraw/zinc/20/81/44/1122208144.db2.gz XEDIBXSEUYIOSP-BBRMVZONSA-N 0 1 289.375 3.717 20 0 CHADMN CC[C@H](C)[C@@H](CNC1(c2c(F)cccc2F)CCC1)OC ZINC001183189824 1122209396 /nfs/dbraw/zinc/20/93/96/1122209396.db2.gz ZBALNICYYBTOHG-SWLSCSKDSA-N 0 1 297.389 3.995 20 0 CHADMN CC[C@H]1[C@H](C)CCN1Cn1ccn(C(C)C)c1=S ZINC000774619715 1122219774 /nfs/dbraw/zinc/21/97/74/1122219774.db2.gz RCIUFINUNKHSDD-OLZOCXBDSA-N 0 1 267.442 3.678 20 0 CHADMN Cc1cccc([C@@H]2CCN(Cc3nccn3C(C)C)C2)c1 ZINC000273106119 1122220205 /nfs/dbraw/zinc/22/02/05/1122220205.db2.gz PNUKTDOWIJBVRM-QGZVFWFLSA-N 0 1 283.419 3.762 20 0 CHADMN Cc1cc(CN2CC([C@H]3CCC[C@H](C)C3)C2)sn1 ZINC001183443304 1122224100 /nfs/dbraw/zinc/22/41/00/1122224100.db2.gz HYBABSVNQNTPFP-AAEUAGOBSA-N 0 1 264.438 3.710 20 0 CHADMN CC1(C)C[C@@H]1N[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000273385535 1122230184 /nfs/dbraw/zinc/23/01/84/1122230184.db2.gz RSQXRFKEIBNNPA-HOTGVXAUSA-N 0 1 270.351 3.698 20 0 CHADMN Cc1ccc(CCNc2ccc3c(n2)CCCC3)cc1 ZINC001183670891 1122232594 /nfs/dbraw/zinc/23/25/94/1122232594.db2.gz FGMWYKUUDVEUAW-UHFFFAOYSA-N 0 1 266.388 3.923 20 0 CHADMN CC(C)C[C@@H](NCc1n[nH]c(C2CC2)n1)c1cccs1 ZINC000273488361 1122234899 /nfs/dbraw/zinc/23/48/99/1122234899.db2.gz JYWHPFILZSCTOB-GFCCVEGCSA-N 0 1 290.436 3.621 20 0 CHADMN Cc1ccc(C[C@H](C)N[C@@H]2c3ccccc3OC[C@H]2F)cc1 ZINC001183789773 1122239790 /nfs/dbraw/zinc/23/97/90/1122239790.db2.gz XVOXKJSLAAIVAB-POZUXBRTSA-N 0 1 299.389 3.987 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CCC[C@H](C2CCC2)C1 ZINC000620213395 1129042646 /nfs/dbraw/zinc/04/26/46/1129042646.db2.gz CQGJJRQTUFDHJW-ZDUSSCGKSA-N 0 1 293.794 3.698 20 0 CHADMN COCCN(Cc1ccc(F)cc1Cl)CC(C)C ZINC000503570156 1122268705 /nfs/dbraw/zinc/26/87/05/1122268705.db2.gz CNRXCNMIXDMVLY-UHFFFAOYSA-N 0 1 273.779 3.584 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)CC(C)(C)O2)c1ccccn1 ZINC000071170134 1129044129 /nfs/dbraw/zinc/04/41/29/1129044129.db2.gz FCLOWGRPBLVVDA-CYBMUJFWSA-N 0 1 282.387 3.646 20 0 CHADMN CC(C)N(C)Cc1nc2ccc(Br)cc2s1 ZINC000774819942 1122317537 /nfs/dbraw/zinc/31/75/37/1122317537.db2.gz FQVIPSXAPMQBRM-UHFFFAOYSA-N 0 1 299.237 3.899 20 0 CHADMN Cc1cc2cc[nH]c2cc1NC(=O)c1cn[nH]c1C(C)(C)C ZINC000504222715 1122289621 /nfs/dbraw/zinc/28/96/21/1122289621.db2.gz GYXNGOPTLLLVKU-UHFFFAOYSA-N 0 1 296.374 3.749 20 0 CHADMN CC(C)c1cccc(CNC(=O)c2cccc(F)c2O)c1 ZINC001269536810 1122291722 /nfs/dbraw/zinc/29/17/22/1122291722.db2.gz BPTDNKZGSNLCOO-UHFFFAOYSA-N 0 1 287.334 3.585 20 0 CHADMN CC(C)C(N)=NOCCOc1ccc(Cl)cc1Cl ZINC000774790542 1122299250 /nfs/dbraw/zinc/29/92/50/1122299250.db2.gz BVMIACLCWURUCD-UHFFFAOYSA-N 0 1 291.178 3.527 20 0 CHADMN OC1C[C@H]2CC[C@@H](C1)N2Cc1oc2ccccc2c1Cl ZINC000637890625 1122310157 /nfs/dbraw/zinc/31/01/57/1122310157.db2.gz RDBPYDIYCLFBTA-FOSCPWQOSA-N 0 1 291.778 3.574 20 0 CHADMN CO[C@]1(C)C[C@@H](NCc2csc(C(C)C)n2)C1(C)C ZINC000072926410 1122314176 /nfs/dbraw/zinc/31/41/76/1122314176.db2.gz RBCVYKRBXUKAEQ-IUODEOHRSA-N 0 1 282.453 3.560 20 0 CHADMN CCCc1cccc(NS(=O)(=O)c2ccsc2)c1 ZINC001185392581 1122335913 /nfs/dbraw/zinc/33/59/13/1122335913.db2.gz SFLIIJJSKWCISZ-UHFFFAOYSA-N 0 1 281.402 3.501 20 0 CHADMN Cc1cc(Cl)cc(NS(=O)(=O)c2ccsc2)c1 ZINC001185383463 1122336181 /nfs/dbraw/zinc/33/61/81/1122336181.db2.gz AATZJMHPMJPRAE-UHFFFAOYSA-N 0 1 287.793 3.511 20 0 CHADMN O=C(NCc1cccc(F)c1)Nc1cccc(Cl)c1O ZINC001185826264 1122361959 /nfs/dbraw/zinc/36/19/59/1122361959.db2.gz TYVSZTPRELKMBJ-UHFFFAOYSA-N 0 1 294.713 3.506 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@@H](C)C(C)C)n[nH]2)cc1 ZINC000027184729 1122369637 /nfs/dbraw/zinc/36/96/37/1122369637.db2.gz XAEMXIXUTHHOPY-ZDUSSCGKSA-N 0 1 285.391 3.502 20 0 CHADMN CCCc1nsc(Nc2cn(-c3ccccc3)nc2C)n1 ZINC001186070588 1122373777 /nfs/dbraw/zinc/37/37/77/1122373777.db2.gz RJEVQBMKABHVGV-UHFFFAOYSA-N 0 1 299.403 3.728 20 0 CHADMN CC(C)n1ncnc1CN1CCC[C@H]1CC1CCCCC1 ZINC000434539242 1122376594 /nfs/dbraw/zinc/37/65/94/1122376594.db2.gz FXHKZKLMBBXFDE-INIZCTEOSA-N 0 1 290.455 3.794 20 0 CHADMN CC[C@H]1CCCC[C@H]1CNc1nc(Cl)nc2[nH]cnc21 ZINC001186585879 1122398180 /nfs/dbraw/zinc/39/81/80/1122398180.db2.gz SXVYFCPPMJPPIH-UWVGGRQHSA-N 0 1 293.802 3.586 20 0 CHADMN CC(C)[C@@H](C)Sc1nc(-c2ccccc2F)n[nH]1 ZINC000430089406 1122398554 /nfs/dbraw/zinc/39/85/54/1122398554.db2.gz NEFASYFZSCREQW-SECBINFHSA-N 0 1 265.357 3.747 20 0 CHADMN Cc1cccc(CN2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000430096694 1122403121 /nfs/dbraw/zinc/40/31/21/1122403121.db2.gz FYRGQUWJMVBRJM-QGZVFWFLSA-N 0 1 266.388 3.973 20 0 CHADMN CC(C)[C@@H]1N(Cc2cc(O)cc(F)c2)CC12CCC2 ZINC000430101683 1122404208 /nfs/dbraw/zinc/40/42/08/1122404208.db2.gz JFSZMABRAYBPNL-HNNXBMFYSA-N 0 1 263.356 3.542 20 0 CHADMN Cc1cc2cc[nH]c2cc1NC(=O)c1[nH]cnc1C(C)(C)C ZINC000632672787 1129052945 /nfs/dbraw/zinc/05/29/45/1129052945.db2.gz DYKCIKIZYLOPNB-UHFFFAOYSA-N 0 1 296.374 3.749 20 0 CHADMN C[C@H](C(=O)OC(C)(C)C)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000434893217 1122418639 /nfs/dbraw/zinc/41/86/39/1122418639.db2.gz ACIYHBMKCMRHAA-FMKPAKJESA-N 0 1 289.419 3.595 20 0 CHADMN C[C@H]1CN(CCOc2cccc3ccccc32)CC(C)(C)O1 ZINC000620367780 1129053273 /nfs/dbraw/zinc/05/32/73/1129053273.db2.gz BXBUAAGFFIKEPB-HNNXBMFYSA-N 0 1 299.414 3.718 20 0 CHADMN CC[C@H](NCc1ccnc(Cl)c1)c1ccccc1OC ZINC000775080116 1122419208 /nfs/dbraw/zinc/41/92/08/1122419208.db2.gz ITELNBIJSQFFFP-AWEZNQCLSA-N 0 1 290.794 3.985 20 0 CHADMN Cc1n[nH]c(C)c1CN(C)Cc1ccc(C(C)C)cc1 ZINC000505571163 1122422288 /nfs/dbraw/zinc/42/22/88/1122422288.db2.gz VSZAUIIWFBICAB-UHFFFAOYSA-N 0 1 271.408 3.782 20 0 CHADMN COc1ccccc1CN(C)Cc1ccc(C)c(F)c1 ZINC000505582015 1122425010 /nfs/dbraw/zinc/42/50/10/1122425010.db2.gz OBGBAPVSRVFKBY-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN c1ccc([C@H]2CCN2CC2=Cc3ccccc3OC2)cc1 ZINC000434985303 1122426411 /nfs/dbraw/zinc/42/64/11/1122426411.db2.gz HVLKKOGHQOZANH-GOSISDBHSA-N 0 1 277.367 3.909 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2cnc(C)cn2)cc1 ZINC000505605676 1122434995 /nfs/dbraw/zinc/43/49/95/1122434995.db2.gz DVAHUBGLCAHTGA-GOSISDBHSA-N 0 1 297.402 3.521 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc3cccc(C)n23)cc1 ZINC000505603812 1122435023 /nfs/dbraw/zinc/43/50/23/1122435023.db2.gz BBAAFASKXWIJEL-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1Cc1cccc(-c2cccnc2)c1 ZINC000505608903 1122435924 /nfs/dbraw/zinc/43/59/24/1122435924.db2.gz MKMVRVSTULNGEE-DNVCBOLYSA-N 0 1 296.414 3.748 20 0 CHADMN C[C@@H](Nc1ccncc1C(F)(F)F)c1ccc(F)cc1 ZINC001187799177 1122443107 /nfs/dbraw/zinc/44/31/07/1122443107.db2.gz NYCOJPBYONMHOB-SECBINFHSA-N 0 1 284.256 3.835 20 0 CHADMN CCc1ccc(CN2CCn3cccc3[C@@H]2C)cc1 ZINC000505640435 1122446970 /nfs/dbraw/zinc/44/69/70/1122446970.db2.gz UQNMHPGOTSSNMX-AWEZNQCLSA-N 0 1 254.377 3.627 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)C[C@H](C)C1CCCCC1 ZINC000514791285 1122451394 /nfs/dbraw/zinc/45/13/94/1122451394.db2.gz LYBNZHWRWRXTGN-DZGCQCFKSA-N 0 1 269.429 3.634 20 0 CHADMN CSCc1cnc(CN(C)[C@@H]2CC[C@H](C)C2)s1 ZINC000353200126 1122460353 /nfs/dbraw/zinc/46/03/53/1122460353.db2.gz AZGYUBQPJZZTJB-WDEREUQCSA-N 0 1 270.467 3.627 20 0 CHADMN CC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccoc1 ZINC001188569442 1122467402 /nfs/dbraw/zinc/46/74/02/1122467402.db2.gz KYESEGOZDBSRSS-LLVKDONJSA-N 0 1 279.361 3.594 20 0 CHADMN Cc1nccc(N2CCC[C@H]([C@H]3CCCCO3)C2)c1Cl ZINC000664489982 1122470337 /nfs/dbraw/zinc/47/03/37/1122470337.db2.gz VAHFTZOJYBKMLO-DZGCQCFKSA-N 0 1 294.826 3.829 20 0 CHADMN O=C(Nc1cccc(-c2cccs2)c1)c1ccncc1O ZINC001188636462 1122471957 /nfs/dbraw/zinc/47/19/57/1122471957.db2.gz CZXOTYUOVWEGPU-UHFFFAOYSA-N 0 1 296.351 3.768 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1CCCOc1cc(C)ccc1C ZINC000515139365 1122479251 /nfs/dbraw/zinc/47/92/51/1122479251.db2.gz QCQBXZDQIYMTQE-DLBZAZTESA-N 0 1 291.435 3.572 20 0 CHADMN Clc1cccc(CCCCSc2cn[nH]n2)c1 ZINC001188852693 1122479980 /nfs/dbraw/zinc/47/99/80/1122479980.db2.gz DPOMDZDJGGMXMK-UHFFFAOYSA-N 0 1 267.785 3.573 20 0 CHADMN c1cc(-c2n[nH]c(SCC3CCC3)n2)cc2c1CCC2 ZINC001188849595 1122480210 /nfs/dbraw/zinc/48/02/10/1122480210.db2.gz XGXQTBLBCLGIHI-UHFFFAOYSA-N 0 1 285.416 3.853 20 0 CHADMN CSc1ccc2nc(-c3cnn4ccccc34)[nH]c2c1 ZINC000435680332 1122481105 /nfs/dbraw/zinc/48/11/05/1122481105.db2.gz CYJVUTLBZGSRSZ-UHFFFAOYSA-N 0 1 280.356 3.600 20 0 CHADMN CC(C)c1nc(CS[C@H]2CCOc3ccccc32)n[nH]1 ZINC001188941624 1122482013 /nfs/dbraw/zinc/48/20/13/1122482013.db2.gz NHRSPLSHVWTZDJ-ZDUSSCGKSA-N 0 1 289.404 3.685 20 0 CHADMN Fc1cc(Cl)ccc1Nc1ccc2cncn2c1 ZINC001250328462 1122497873 /nfs/dbraw/zinc/49/78/73/1122497873.db2.gz LWGRDZFWYGMOJK-UHFFFAOYSA-N 0 1 261.687 3.870 20 0 CHADMN COc1cccc([C@H](C)N[C@H](C)c2cn3ccccc3n2)c1 ZINC000515525308 1122506772 /nfs/dbraw/zinc/50/67/72/1122506772.db2.gz CQVIGROLKLHQNM-UONOGXRCSA-N 0 1 295.386 3.755 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1ccc(F)c2ccccc12 ZINC001190142292 1122525639 /nfs/dbraw/zinc/52/56/39/1122525639.db2.gz DPYIACWLZDLUAS-UHFFFAOYSA-N 0 1 283.306 3.517 20 0 CHADMN COc1ccc(CN2CCc3cc(O)ccc3C2)c(C)c1C ZINC001203715300 1122529728 /nfs/dbraw/zinc/52/97/28/1122529728.db2.gz DYNQDJAORJQINV-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN Cc1ncc(CN(C)C[C@@H]2CC3(CO2)CCCCC3)s1 ZINC001190392928 1122534785 /nfs/dbraw/zinc/53/47/85/1122534785.db2.gz VLVLKAQDXOKUTA-AWEZNQCLSA-N 0 1 294.464 3.623 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)C[C@@H]1CCC2(CCC2)O1 ZINC001190393261 1122535220 /nfs/dbraw/zinc/53/52/20/1122535220.db2.gz ZMDQHXWBCVIBSR-KBPBESRZSA-N 0 1 277.383 3.920 20 0 CHADMN CCOc1ccccc1CN(C)CCOCCC(C)C ZINC000515782018 1122540286 /nfs/dbraw/zinc/54/02/86/1122540286.db2.gz PBTMLBYXJGLTFA-UHFFFAOYSA-N 0 1 279.424 3.580 20 0 CHADMN Cc1cnc(CN(Cc2cccc(F)c2)C2CCCC2)cn1 ZINC000505808998 1122544020 /nfs/dbraw/zinc/54/40/20/1122544020.db2.gz KYWXBGSCUAQAKQ-UHFFFAOYSA-N 0 1 299.393 3.869 20 0 CHADMN CCCCNC(=O)Nc1cc(Cl)c(O)cc1Cl ZINC001190616114 1122544480 /nfs/dbraw/zinc/54/44/80/1122544480.db2.gz RCHGUAJGFPPELI-UHFFFAOYSA-N 0 1 277.151 3.621 20 0 CHADMN C[C@@]1(CF)CCN(Cc2cc(O)c(Cl)c(F)c2F)C1 ZINC001250387052 1122549184 /nfs/dbraw/zinc/54/91/84/1122549184.db2.gz GEGSAEQMRCSVPS-ZDUSSCGKSA-N 0 1 293.716 3.505 20 0 CHADMN FC(F)(F)COCCN1CCC[C@H]1/C=C\c1ccccc1 ZINC000505825892 1122551523 /nfs/dbraw/zinc/55/15/23/1122551523.db2.gz OKMJQNKDLRFMCX-CDNLZTBQSA-N 0 1 299.336 3.743 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(F)cc(F)c1OC ZINC001143561342 1122553632 /nfs/dbraw/zinc/55/36/32/1122553632.db2.gz OJFHTHRAJIWHCK-ZDUSSCGKSA-N 0 1 269.335 3.738 20 0 CHADMN COc1cccc(CN2CCC[C@H]2/C=C\c2ccccc2)n1 ZINC000505832408 1122553744 /nfs/dbraw/zinc/55/37/44/1122553744.db2.gz MYCOABYDRGALJF-SQVRQVGWSA-N 0 1 294.398 3.768 20 0 CHADMN CCC[C@]1(C)CCCN(C(=O)c2c(O)cccc2F)C1 ZINC000436510626 1122556095 /nfs/dbraw/zinc/55/60/95/1122556095.db2.gz GOHWGHRJMRWCRZ-MRXNPFEDSA-N 0 1 279.355 3.574 20 0 CHADMN CCC1CCN(CC(=O)Nc2ccc3ccccc3c2)CC1 ZINC001190864261 1122558579 /nfs/dbraw/zinc/55/85/79/1122558579.db2.gz FYGCEESLHJRBEA-UHFFFAOYSA-N 0 1 296.414 3.900 20 0 CHADMN CC(C)=CCCN1CCC[C@H]1C(=O)OCc1ccccc1 ZINC001190967173 1122561618 /nfs/dbraw/zinc/56/16/18/1122561618.db2.gz SATBSGFYYNVUEF-KRWDZBQOSA-N 0 1 287.403 3.551 20 0 CHADMN O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1ccc(O)c(Cl)c1 ZINC000436637131 1122566921 /nfs/dbraw/zinc/56/69/21/1122566921.db2.gz YWALOAIAQVDDDX-OCCSQVGLSA-N 0 1 293.794 3.744 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)CC2(C)CCCC2)c1 ZINC000436652172 1122568336 /nfs/dbraw/zinc/56/83/36/1122568336.db2.gz KPXKOBOLWGHUOS-UHFFFAOYSA-N 0 1 289.375 3.894 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c1 ZINC000436648445 1122569011 /nfs/dbraw/zinc/56/90/11/1122569011.db2.gz UHHRDAVJKVMVHA-SJCJKPOMSA-N 0 1 289.375 3.606 20 0 CHADMN Cc1cc(C)c(NC(=O)[C@H](C)N2C3CCC2CC3)c(C)c1 ZINC000516156801 1122574131 /nfs/dbraw/zinc/57/41/31/1122574131.db2.gz JWUYLMSKZSKOIO-FHERZECASA-N 0 1 286.419 3.566 20 0 CHADMN CCCC[N@@H+](C)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000505869347 1122575231 /nfs/dbraw/zinc/57/52/31/1122575231.db2.gz XNGYMENETQUDOI-UHFFFAOYSA-N 0 1 289.398 3.860 20 0 CHADMN Cc1ccc([C@H](C)[N@@H+](C)CCCCCC(=O)[O-])cc1 ZINC000516188075 1122577115 /nfs/dbraw/zinc/57/71/15/1122577115.db2.gz SDRXZHOJRPTUIQ-AWEZNQCLSA-N 0 1 263.381 3.633 20 0 CHADMN CC(C)C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000516188160 1122577676 /nfs/dbraw/zinc/57/76/76/1122577676.db2.gz VWIGNKFYVNKHBK-LBPRGKRZSA-N 0 1 295.810 3.906 20 0 CHADMN CCNc1nc(CN2CCC[C@@](C)(CC)C2)cs1 ZINC001191212905 1122582141 /nfs/dbraw/zinc/58/21/41/1122582141.db2.gz DTKRDJXTLCQDRO-CQSZACIVSA-N 0 1 267.442 3.587 20 0 CHADMN Cn1c(-c2cc(F)c(O)c(F)c2)nc2cccc(Cl)c21 ZINC000436781628 1122582415 /nfs/dbraw/zinc/58/24/15/1122582415.db2.gz UXXRZIUGKLCYOC-UHFFFAOYSA-N 0 1 294.688 3.878 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)C(=O)c1c(O)cccc1F ZINC000436796781 1122583328 /nfs/dbraw/zinc/58/33/28/1122583328.db2.gz CFLOKRZWWHPLNI-ACCUITESSA-N 0 1 299.345 3.707 20 0 CHADMN CC(C)(C)CCSc1nc(-c2ccccc2O)n[nH]1 ZINC000436866951 1122589284 /nfs/dbraw/zinc/58/92/84/1122589284.db2.gz ZTOHJIOOCHOOFB-UHFFFAOYSA-N 0 1 277.393 3.706 20 0 CHADMN CN(C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)C(C)(C)C ZINC001191365299 1122595937 /nfs/dbraw/zinc/59/59/37/1122595937.db2.gz BIDJFWBTHYQXPG-UHFFFAOYSA-N 0 1 291.782 3.601 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1C(=O)c1c(O)cccc1F ZINC000436982329 1122600485 /nfs/dbraw/zinc/60/04/85/1122600485.db2.gz TZLJPYWWGDXPSU-DGCLKSJQSA-N 0 1 279.355 3.572 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(F)cc(F)c2OC)C1 ZINC001143562093 1122601233 /nfs/dbraw/zinc/60/12/33/1122601233.db2.gz AMOFWOMMNSGWAW-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CC(C)[C@H](CC(F)(F)F)N[C@@H](C)c1nccs1 ZINC000437092328 1122611294 /nfs/dbraw/zinc/61/12/94/1122611294.db2.gz ZXJXDNCELFXHCS-IUCAKERBSA-N 0 1 266.332 3.771 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H]1CCc2c1cccc2C ZINC000437088951 1122611345 /nfs/dbraw/zinc/61/13/45/1122611345.db2.gz STVDFQHQPARVNL-CXAGYDPISA-N 0 1 282.387 3.737 20 0 CHADMN CC(C)[C@H](CC(F)(F)F)N[C@H](C)c1nccs1 ZINC000437092324 1122611468 /nfs/dbraw/zinc/61/14/68/1122611468.db2.gz ZXJXDNCELFXHCS-BDAKNGLRSA-N 0 1 266.332 3.771 20 0 CHADMN O=C(c1ccc2cncn2c1)N1CCCC[C@@H]1CC1CCC1 ZINC000620569774 1129065996 /nfs/dbraw/zinc/06/59/96/1129065996.db2.gz SPRHNGYCWWBTQJ-MRXNPFEDSA-N 0 1 297.402 3.519 20 0 CHADMN Fc1cccc2c(CN3CCC[C@H](F)C3)cccc12 ZINC001237515041 1129066099 /nfs/dbraw/zinc/06/60/99/1129066099.db2.gz JXFKUIQQEWSMTF-ZDUSSCGKSA-N 0 1 261.315 3.913 20 0 CHADMN O[C@H](CN[C@@H](c1ccco1)c1ccccc1)c1ccccc1 ZINC000193310399 1129066441 /nfs/dbraw/zinc/06/64/41/1129066441.db2.gz URLGOUSZYYDMNK-IEBWSBKVSA-N 0 1 293.366 3.692 20 0 CHADMN O[C@H](CN[C@H](c1ccco1)c1ccccc1)c1ccccc1 ZINC000193310378 1129066509 /nfs/dbraw/zinc/06/65/09/1129066509.db2.gz URLGOUSZYYDMNK-MJGOQNOKSA-N 0 1 293.366 3.692 20 0 CHADMN Cc1ccc(C)c(CN[C@H](c2ccccc2F)[C@@H](C)O)c1 ZINC000516655774 1122618913 /nfs/dbraw/zinc/61/89/13/1122618913.db2.gz LMCNVDLFJVQGIE-KDOFPFPSSA-N 0 1 287.378 3.654 20 0 CHADMN C[C@@H]1CN(C[C@]2(C)CC2(Cl)Cl)CC2(CCCC2)O1 ZINC000830858899 1122619265 /nfs/dbraw/zinc/61/92/65/1122619265.db2.gz CEXQYLRHXWJIGL-NEPJUHHUSA-N 0 1 292.250 3.604 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1cccc2c1OCO2 ZINC000506016021 1122626241 /nfs/dbraw/zinc/62/62/41/1122626241.db2.gz BZIRHAWHLKKAHC-CYBMUJFWSA-N 0 1 269.344 3.608 20 0 CHADMN CCO[C@H](CN1CCc2c(F)cc(F)cc2[C@H]1C)C1CC1 ZINC001192213861 1122632865 /nfs/dbraw/zinc/63/28/65/1122632865.db2.gz MIHIYCFHLWUWCM-PIGZYNQJSA-N 0 1 295.373 3.699 20 0 CHADMN COc1cc(C)c(CN2CCC[C@@](C)(F)C2)cc1C ZINC001203755570 1122638345 /nfs/dbraw/zinc/63/83/45/1122638345.db2.gz MQQWEHHFKAGYLN-MRXNPFEDSA-N 0 1 265.372 3.636 20 0 CHADMN CC(C)c1cccc(NC(=O)CN(C)[C@H](C)C2(C)CC2)c1 ZINC000437528380 1122639168 /nfs/dbraw/zinc/63/91/68/1122639168.db2.gz NVBIIEODTADIPT-CQSZACIVSA-N 0 1 288.435 3.869 20 0 CHADMN CC(C)CCN(Cc1c(Cl)cnn1C)C1CCCC1 ZINC000437576827 1122641087 /nfs/dbraw/zinc/64/10/87/1122641087.db2.gz GUTYOOKDJUFHAY-UHFFFAOYSA-N 0 1 283.847 3.864 20 0 CHADMN CC(C)c1cccc(CN2CCOCC23CCC3)c1 ZINC001192379645 1122642576 /nfs/dbraw/zinc/64/25/76/1122642576.db2.gz HUOCSWCSNDYNIC-UHFFFAOYSA-N 0 1 259.393 3.565 20 0 CHADMN COc1cc2nc(-c3sccc3C)[nH]c2cc1F ZINC001250469479 1122642705 /nfs/dbraw/zinc/64/27/05/1122642705.db2.gz VZAVDLKEQLAAQL-UHFFFAOYSA-N 0 1 262.309 3.748 20 0 CHADMN COc1ccc(CN(C)Cc2cc3c(cccc3F)[nH]2)cc1 ZINC000437581896 1122643399 /nfs/dbraw/zinc/64/33/99/1122643399.db2.gz SUCIFYCCZWWXIZ-UHFFFAOYSA-N 0 1 298.361 3.948 20 0 CHADMN C[C@H]1CCN(CCCc2ccccc2Cl)C[C@H]1F ZINC001192546749 1122650577 /nfs/dbraw/zinc/65/05/77/1122650577.db2.gz NSRRRWMGVYVORB-SWLSCSKDSA-N 0 1 269.791 3.953 20 0 CHADMN Cc1ccc(OCCN(C)Cc2ccc(Cl)o2)cc1 ZINC000506123732 1122653846 /nfs/dbraw/zinc/65/38/46/1122653846.db2.gz CJKOGOOIFSWOGV-UHFFFAOYSA-N 0 1 279.767 3.752 20 0 CHADMN O=C(Nc1ccc2c(c1)N=NC2)c1c(O)ccc(F)c1F ZINC001192769387 1122658039 /nfs/dbraw/zinc/65/80/39/1122658039.db2.gz LASXEHXLNVCFHE-UHFFFAOYSA-N 0 1 289.241 3.520 20 0 CHADMN COC[C@@H](NCc1cc(F)ccc1C)c1ccccc1 ZINC001192901151 1122661152 /nfs/dbraw/zinc/66/11/52/1122661152.db2.gz JCFQBXMWUPVZJV-QGZVFWFLSA-N 0 1 273.351 3.611 20 0 CHADMN CCC[N@@H+](Cc1ccccc1)Cc1ccc(F)nc1 ZINC000189282383 1129069920 /nfs/dbraw/zinc/06/99/20/1129069920.db2.gz XQDAEOBACBQUBW-UHFFFAOYSA-N 0 1 258.340 3.633 20 0 CHADMN CN(Cc1cccnc1)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001192966979 1122667616 /nfs/dbraw/zinc/66/76/16/1122667616.db2.gz ZJLYJDRYNDQSDN-HOTGVXAUSA-N 0 1 288.341 3.562 20 0 CHADMN C[C@H](c1cccnc1)N(C)Cc1cc2c(cccc2F)[nH]1 ZINC000437988319 1122670067 /nfs/dbraw/zinc/67/00/67/1122670067.db2.gz SGUDUKNMGGEXMM-GFCCVEGCSA-N 0 1 283.350 3.895 20 0 CHADMN C[C@H]1SCCN(Cc2cc3c(cccc3F)[nH]2)[C@@H]1C ZINC000438092441 1122675172 /nfs/dbraw/zinc/67/51/72/1122675172.db2.gz GNBOIZYOXGDBCB-GHMZBOCLSA-N 0 1 278.396 3.633 20 0 CHADMN C[Si](C)(C)C[N@H+]1Cc2ccc(Br)cc2C1 ZINC001193141797 1122679829 /nfs/dbraw/zinc/67/98/29/1122679829.db2.gz ODYFWNQRVOGUFF-UHFFFAOYSA-N 0 1 284.273 3.642 20 0 CHADMN C[Si](C)(C)CN1Cc2ccc(Br)cc2C1 ZINC001193141797 1122679834 /nfs/dbraw/zinc/67/98/34/1122679834.db2.gz ODYFWNQRVOGUFF-UHFFFAOYSA-N 0 1 284.273 3.642 20 0 CHADMN COC(=O)[C@H](NC[C@H]1CCC[C@H](C)C1)C1CCCCC1 ZINC001193167159 1122679840 /nfs/dbraw/zinc/67/98/40/1122679840.db2.gz WKSYNNSAGCTFNL-OFQRWUPVSA-N 0 1 281.440 3.524 20 0 CHADMN CC[C@H](O)[C@@H]1CCCCN1Cc1ccc(Cl)cc1F ZINC000438123662 1122680556 /nfs/dbraw/zinc/68/05/56/1122680556.db2.gz YLPHSDDFJKGNGM-GJZGRUSLSA-N 0 1 285.790 3.605 20 0 CHADMN CC(C)Sc1ccc([C@H](C)NCc2ccnn2C)cc1 ZINC000080198875 1129074986 /nfs/dbraw/zinc/07/49/86/1129074986.db2.gz DKIJTWAPWTVPJV-ZDUSSCGKSA-N 0 1 289.448 3.771 20 0 CHADMN Cc1cnc(C2CCN(C/C=C\c3ccncc3)CC2)s1 ZINC000425979758 1122690835 /nfs/dbraw/zinc/69/08/35/1122690835.db2.gz LSEDEPWZTYEPTJ-IHWYPQMZSA-N 0 1 299.443 3.739 20 0 CHADMN CCOC(=O)[C@H](C)N(CCC1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC001193472219 1122691747 /nfs/dbraw/zinc/69/17/47/1122691747.db2.gz FDJCBAOVVMJBHK-KFWWJZLASA-N 0 1 295.467 3.865 20 0 CHADMN Cc1ncsc1CNCc1ccccc1N(C)C(C)C ZINC000438342653 1122692377 /nfs/dbraw/zinc/69/23/77/1122692377.db2.gz SUISHQRHXIRJMX-UHFFFAOYSA-N 0 1 289.448 3.586 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2csc(C3CC3)n2)C1 ZINC000438342205 1122692485 /nfs/dbraw/zinc/69/24/85/1122692485.db2.gz QYCYEQZEGFMLCQ-CYBMUJFWSA-N 0 1 264.438 3.889 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3ccncc3)c2)[C@@H](C)[C@H](C)O1 ZINC000438359204 1122693491 /nfs/dbraw/zinc/69/34/91/1122693491.db2.gz PMMTWYPKRNNEKZ-PMPSAXMXSA-N 0 1 296.414 3.746 20 0 CHADMN Cc1cccc(CN(C)Cc2cnc3ccc(Cl)cn23)c1 ZINC000506217620 1122696204 /nfs/dbraw/zinc/69/62/04/1122696204.db2.gz KATVWGQMLGIPSC-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN CC(C)[C@@H]1CCN(Cc2nc3ccccc3n2C(F)F)C1 ZINC000438505020 1122707226 /nfs/dbraw/zinc/70/72/26/1122707226.db2.gz YWGSUQQOTZWAQM-GFCCVEGCSA-N 0 1 293.361 3.909 20 0 CHADMN C[C@H]1C[C@H](NC(=O)c2ccc(F)c(O)c2F)CC(C)(C)C1 ZINC001193793250 1122717604 /nfs/dbraw/zinc/71/76/04/1122717604.db2.gz MJLIGOXBWHYOBU-UWVGGRQHSA-N 0 1 297.345 3.615 20 0 CHADMN CC(C)c1nc(CN(C)[C@H]2CC[C@@H](C)C2)cs1 ZINC000429602614 1122727827 /nfs/dbraw/zinc/72/78/27/1122727827.db2.gz YUZUKUDDMNRGSS-YPMHNXCESA-N 0 1 252.427 3.887 20 0 CHADMN C[C@@H](CN1CC(C)(C)[C@H]1c1nccn1C)c1ccccc1 ZINC000294795518 1122735871 /nfs/dbraw/zinc/73/58/71/1122735871.db2.gz MIJRZSICBLNMLS-GOEBONIOSA-N 0 1 283.419 3.607 20 0 CHADMN Oc1ccc(F)c(CNCCc2cccc(Cl)c2)c1F ZINC000509590523 1122736026 /nfs/dbraw/zinc/73/60/26/1122736026.db2.gz DTJMDHBGIMWAJA-UHFFFAOYSA-N 0 1 297.732 3.656 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)NCC[C@@H](C)F)n2)cc1 ZINC000509592129 1122736238 /nfs/dbraw/zinc/73/62/38/1122736238.db2.gz MTMCQLXLRZPLGG-NEPJUHHUSA-N 0 1 291.370 3.698 20 0 CHADMN c1cc(C2CCCC2)ccc1CNCc1n[nH]c(C2CC2)n1 ZINC000294902388 1122738349 /nfs/dbraw/zinc/73/83/49/1122738349.db2.gz XHIXDPBUOANVCX-UHFFFAOYSA-N 0 1 296.418 3.630 20 0 CHADMN CC(=O)c1cccc(CN2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000295075259 1122742224 /nfs/dbraw/zinc/74/22/24/1122742224.db2.gz QOSZRRFSDUIEEV-IAGOWNOFSA-N 0 1 289.444 3.749 20 0 CHADMN C[C@H]1C[C@H](CCN2CCOC[C@H]2CC(F)F)C[C@@H](C)C1 ZINC001194115971 1122746927 /nfs/dbraw/zinc/74/69/27/1122746927.db2.gz IYANEBPRXXGRPX-CBBWQLFWSA-N 0 1 289.410 3.805 20 0 CHADMN COc1ccc(CN2CC[C@@H](C)C(F)(F)CC2)cc1F ZINC001203789189 1122748059 /nfs/dbraw/zinc/74/80/59/1122748059.db2.gz FGGKOYDPPPPWOP-LLVKDONJSA-N 0 1 287.325 3.702 20 0 CHADMN CC1(C)CCCN(C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000775601706 1122751347 /nfs/dbraw/zinc/75/13/47/1122751347.db2.gz WYIUBXDFLBIDSX-AWEZNQCLSA-N 0 1 285.790 3.635 20 0 CHADMN CCCCCCOC(=O)Nc1c(O)cc(F)cc1F ZINC001194181019 1122754569 /nfs/dbraw/zinc/75/45/69/1122754569.db2.gz MWVZPKASHSPEOC-UHFFFAOYSA-N 0 1 273.279 3.799 20 0 CHADMN CCn1cc([C@@H](C)NCc2c(C)cccc2Cl)cn1 ZINC000295994283 1122760548 /nfs/dbraw/zinc/76/05/48/1122760548.db2.gz KELDFNUHRPHSPS-GFCCVEGCSA-N 0 1 277.799 3.716 20 0 CHADMN CC1(c2nc3cc(Cl)cc(Cl)c3[nH]2)CCOCC1 ZINC001250562944 1122762844 /nfs/dbraw/zinc/76/28/44/1122762844.db2.gz PMBVLYXIDIVHDU-UHFFFAOYSA-N 0 1 285.174 3.938 20 0 CHADMN CCCc1nc(C)c(CN[C@@H]2CCc3ccccc32)o1 ZINC000426352973 1122771724 /nfs/dbraw/zinc/77/17/24/1122771724.db2.gz SIMWAHKNFRVCFQ-OAHLLOKOSA-N 0 1 270.376 3.713 20 0 CHADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C1(C)CCCCC1 ZINC000518643016 1122776112 /nfs/dbraw/zinc/77/61/12/1122776112.db2.gz XKORNMCKBYLJDE-UHFFFAOYSA-N 0 1 291.439 3.636 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)CCS1 ZINC000426377398 1122776595 /nfs/dbraw/zinc/77/65/95/1122776595.db2.gz NFLATWPYJGVILQ-NSHDSACASA-N 0 1 278.396 3.634 20 0 CHADMN Cc1cc(Cl)ccc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC001194519227 1122778903 /nfs/dbraw/zinc/77/89/03/1122778903.db2.gz IHAZOOZQVNSAHE-HNNXBMFYSA-N 0 1 281.852 3.976 20 0 CHADMN C[C@@H]1CCc2nc(CN3CCS[C@H](C)CC3)sc2C1 ZINC000426383220 1122780437 /nfs/dbraw/zinc/78/04/37/1122780437.db2.gz AFBXPKTVIFKRBZ-VXGBXAGGSA-N 0 1 296.505 3.595 20 0 CHADMN C[C@@H](C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1)C1CC1 ZINC000153792673 1129077575 /nfs/dbraw/zinc/07/75/75/1129077575.db2.gz WGIQRTASYVEQLV-SSDOTTSWSA-N 0 1 297.280 3.566 20 0 CHADMN COCC(C)(C)CN1CCc2c(F)cc(F)cc2[C@H]1C ZINC000426404704 1122787044 /nfs/dbraw/zinc/78/70/44/1122787044.db2.gz JHYYTHOIBZGERS-LLVKDONJSA-N 0 1 283.362 3.557 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)Nc1cc(C(F)F)ccc1F ZINC000633569826 1129077861 /nfs/dbraw/zinc/07/78/61/1129077861.db2.gz AGTAEFNHVDJFFZ-UHFFFAOYSA-N 0 1 297.280 3.862 20 0 CHADMN c1csc(-c2cc(CN3CC[C@@H]4CCC[C@H]43)no2)c1 ZINC000426455999 1122798506 /nfs/dbraw/zinc/79/85/06/1122798506.db2.gz CIIGWBPKFUZVDA-WCQYABFASA-N 0 1 274.389 3.778 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CC[C@@H]3CCC[C@H]32)s1 ZINC000426494913 1122805706 /nfs/dbraw/zinc/80/57/06/1122805706.db2.gz IADLEVJCBWRXHU-VHSXEESVSA-N 0 1 290.354 3.845 20 0 CHADMN CC1(C)CCc2onc(CN3CCC[C@@H]3C3CC3)c2C1 ZINC001307455958 1122813116 /nfs/dbraw/zinc/81/31/16/1122813116.db2.gz WACBDMHLSYXAPN-OAHLLOKOSA-N 0 1 274.408 3.564 20 0 CHADMN Cc1csc([C@@H](C)NCc2cccc3cnccc32)n1 ZINC000080273010 1129079564 /nfs/dbraw/zinc/07/95/64/1129079564.db2.gz FYCMOPBXNVALCU-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN COc1ccc(C)cc1CN(C)Cc1ccccc1 ZINC000506728053 1122816275 /nfs/dbraw/zinc/81/62/75/1122816275.db2.gz UXEBAAMAGVMSHV-UHFFFAOYSA-N 0 1 255.361 3.636 20 0 CHADMN Clc1ccc(C2CCN(Cc3cnoc3)CC2)cc1 ZINC001205677800 1122818525 /nfs/dbraw/zinc/81/85/25/1122818525.db2.gz OCJAQKIKSXYDEJ-UHFFFAOYSA-N 0 1 276.767 3.708 20 0 CHADMN CN(Cc1cnc(C(C)(C)C)s1)[C@H]1CC1(C)C ZINC000426551602 1122819618 /nfs/dbraw/zinc/81/96/18/1122819618.db2.gz ZWOMCDWMJZAKSO-NSHDSACASA-N 0 1 252.427 3.671 20 0 CHADMN Cc1cccn2c(CN(C)Cc3ccc(Cl)cc3)cnc12 ZINC000506771561 1122829316 /nfs/dbraw/zinc/82/93/16/1122829316.db2.gz GLVBDHDSCUXLGC-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN Fc1ccc(-c2cccc3[nH]nnc32)c(Cl)c1F ZINC001205682216 1122833318 /nfs/dbraw/zinc/83/33/18/1122833318.db2.gz QGZWFHFAISVIKN-UHFFFAOYSA-N 0 1 265.650 3.557 20 0 CHADMN C[C@H]1[C@@H](CO)CCCN1Cc1cccc(Cl)c1Cl ZINC001195047835 1122835337 /nfs/dbraw/zinc/83/53/37/1122835337.db2.gz WBFMYLKYOQRXFE-CMPLNLGQSA-N 0 1 288.218 3.586 20 0 CHADMN CCC[C@H](C)CN(C)CC(=O)Nc1ccccc1Cl ZINC000775642478 1122852125 /nfs/dbraw/zinc/85/21/25/1122852125.db2.gz LBNQULGPNXJUML-LBPRGKRZSA-N 0 1 282.815 3.647 20 0 CHADMN CSc1ccc(CN2C[C@H](C)C[C@H]2c2cccnc2)o1 ZINC000894462535 1122858028 /nfs/dbraw/zinc/85/80/28/1122858028.db2.gz XEWHXHVYVIKHGU-DOMZBBRYSA-N 0 1 288.416 3.980 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1nc(C(C)(C)C)co1 ZINC000894498026 1122863456 /nfs/dbraw/zinc/86/34/56/1122863456.db2.gz CXKRXEIZRZYSHE-VXGBXAGGSA-N 0 1 250.386 3.735 20 0 CHADMN CCN(Cc1nc(C(C)(C)C)co1)[C@@H]1CCOC(C)(C)C1 ZINC000894536201 1122870856 /nfs/dbraw/zinc/87/08/56/1122870856.db2.gz UGOCYKYDAOKKQU-CYBMUJFWSA-N 0 1 294.439 3.752 20 0 CHADMN CCCCCC[C@@](C)(CCC)C(=O)NCc1n[nH]c(C)n1 ZINC000080076568 1122881500 /nfs/dbraw/zinc/88/15/00/1122881500.db2.gz JDUCIWJGCWHVNE-MRXNPFEDSA-N 0 1 294.443 3.506 20 0 CHADMN CSc1nccc(-c2nc3cc(F)cc(Cl)c3[nH]2)n1 ZINC001250836543 1122886811 /nfs/dbraw/zinc/88/68/11/1122886811.db2.gz KNWHBPYBTHNFNM-UHFFFAOYSA-N 0 1 294.742 3.534 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnc(F)c(C)c2)ccc1F ZINC000894667713 1122888029 /nfs/dbraw/zinc/88/80/29/1122888029.db2.gz MQKNFTXEEKOIKT-GFCCVEGCSA-N 0 1 276.330 3.827 20 0 CHADMN C[C@@H](CSc1ccccc1)N(C)C/C=C\Cl ZINC001195851549 1122890825 /nfs/dbraw/zinc/89/08/25/1122890825.db2.gz KRUHIJCTAIIGOE-PWWFUAJNSA-N 0 1 255.814 3.852 20 0 CHADMN COc1cccc(CNC(C)(C)c2cccc(F)c2)c1F ZINC000192686833 1122894828 /nfs/dbraw/zinc/89/48/28/1122894828.db2.gz KNBXDVXFJGTLSP-UHFFFAOYSA-N 0 1 291.341 3.998 20 0 CHADMN Cn1cc(CN[C@H]2CCc3c2cc(Cl)cc3Cl)cn1 ZINC000154650768 1129090110 /nfs/dbraw/zinc/09/01/10/1129090110.db2.gz VSYCFYCXPYLWGC-AWEZNQCLSA-N 0 1 296.201 3.504 20 0 CHADMN CC[C@H](C(=O)OC(C)(C)C)N1CCC(C2CCC2)CC1 ZINC001195947369 1122899878 /nfs/dbraw/zinc/89/98/78/1122899878.db2.gz SXARDQSFGWDDIZ-OAHLLOKOSA-N 0 1 281.440 3.619 20 0 CHADMN CCc1onc(C)c1CN1CC(c2ccc(Cl)cc2)C1 ZINC000894743745 1122901208 /nfs/dbraw/zinc/90/12/08/1122901208.db2.gz XCDAUWPCYINRBM-UHFFFAOYSA-N 0 1 290.794 3.798 20 0 CHADMN Cc1nc2ccc(NC(=O)/C=C\C3CCCC3)cc2[nH]1 ZINC000843759321 1122901895 /nfs/dbraw/zinc/90/18/95/1122901895.db2.gz MBQXATNXQQADCN-TWGQIWQCSA-N 0 1 269.348 3.556 20 0 CHADMN CC1(C2(NCc3csc(C(F)(F)F)n3)CC2)CC1 ZINC000894761665 1122903469 /nfs/dbraw/zinc/90/34/69/1122903469.db2.gz VUBCTJXYMUSNKI-UHFFFAOYSA-N 0 1 276.327 3.584 20 0 CHADMN Cc1[nH]nc(CN2CCC(=Cc3cccc(F)c3)CC2)c1C ZINC000894767104 1122903713 /nfs/dbraw/zinc/90/37/13/1122903713.db2.gz SIUCPYWFDJBPOA-UHFFFAOYSA-N 0 1 299.393 3.845 20 0 CHADMN Cc1ccc(CN(C)Cc2cn(C)nc2C2CC2)cc1C ZINC000894786637 1122905384 /nfs/dbraw/zinc/90/53/84/1122905384.db2.gz RURAJUPBXJLFAB-UHFFFAOYSA-N 0 1 283.419 3.546 20 0 CHADMN CSc1ccc(CN2CCC[C@H]2c2c(C)n[nH]c2C)o1 ZINC000894783559 1122905598 /nfs/dbraw/zinc/90/55/98/1122905598.db2.gz VLZBCFPZPPJXBD-ZDUSSCGKSA-N 0 1 291.420 3.679 20 0 CHADMN CC[C@@H](c1ccccc1OC)N(C)Cc1n[nH]c(C)c1C ZINC000894785678 1122905884 /nfs/dbraw/zinc/90/58/84/1122905884.db2.gz ZAQGKPZXMRIWFH-INIZCTEOSA-N 0 1 287.407 3.618 20 0 CHADMN CC[C@@H]1CO[C@@H](C)C[N@H+]1CCOc1ccc2ccccc2c1 ZINC000506904557 1122911016 /nfs/dbraw/zinc/91/10/16/1122911016.db2.gz VQNICEBZKPUDCA-MAUKXSAKSA-N 0 1 299.414 3.718 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1CCOc1ccc2ccccc2c1 ZINC000506904557 1122911017 /nfs/dbraw/zinc/91/10/17/1122911017.db2.gz VQNICEBZKPUDCA-MAUKXSAKSA-N 0 1 299.414 3.718 20 0 CHADMN CC[C@@H]1CO[C@H](C)C[N@H+]1CCOc1ccc2ccccc2c1 ZINC000506904555 1122911255 /nfs/dbraw/zinc/91/12/55/1122911255.db2.gz VQNICEBZKPUDCA-CRAIPNDOSA-N 0 1 299.414 3.718 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1CCOc1ccc2ccccc2c1 ZINC000506904555 1122911260 /nfs/dbraw/zinc/91/12/60/1122911260.db2.gz VQNICEBZKPUDCA-CRAIPNDOSA-N 0 1 299.414 3.718 20 0 CHADMN C[C@H](N[C@@H]1CCC(C)(C)C1)c1nc(Cc2ccccc2)no1 ZINC000506925153 1122912870 /nfs/dbraw/zinc/91/28/70/1122912870.db2.gz GMVIOFCWUDSMTE-DZGCQCFKSA-N 0 1 299.418 3.890 20 0 CHADMN Cc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2ccsc2Cl)o1 ZINC000426790153 1122915875 /nfs/dbraw/zinc/91/58/75/1122915875.db2.gz AYCRJHSKVSBVOC-SNVBAGLBSA-N 0 1 299.779 3.609 20 0 CHADMN CC[C@](C)(CN[C@@H](c1ccco1)c1ccccc1)OC ZINC000323075366 1122916893 /nfs/dbraw/zinc/91/68/93/1122916893.db2.gz XLXLPXYPTYCKID-IAGOWNOFSA-N 0 1 273.376 3.774 20 0 CHADMN CCC[C@@H](C)N(C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000506994696 1122918283 /nfs/dbraw/zinc/91/82/83/1122918283.db2.gz LJIUVLMARUFMMQ-VXGBXAGGSA-N 0 1 266.454 3.888 20 0 CHADMN CC(C)c1ccc([C@H](C)N(C)Cc2ccnn2C)cc1 ZINC000507022746 1122920527 /nfs/dbraw/zinc/92/05/27/1122920527.db2.gz TZHWWVXKGFKHLL-AWEZNQCLSA-N 0 1 271.408 3.737 20 0 CHADMN COc1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)nc1 ZINC001251003615 1122926131 /nfs/dbraw/zinc/92/61/31/1122926131.db2.gz KGFNUTAZHXFGCS-UHFFFAOYSA-N 0 1 294.141 3.940 20 0 CHADMN Cc1nccc(CN(C)Cc2cccc3ccccc32)n1 ZINC000507117865 1122927190 /nfs/dbraw/zinc/92/71/90/1122927190.db2.gz RVZJVCHMYUMZQB-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN CCN(Cc1cnn(CC)c1)Cc1ccc(Cl)cc1 ZINC000507132756 1122928947 /nfs/dbraw/zinc/92/89/47/1122928947.db2.gz WDFAPBWIIPNXGU-UHFFFAOYSA-N 0 1 277.799 3.579 20 0 CHADMN CC[C@H]1CCCN1C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000426992934 1122929637 /nfs/dbraw/zinc/92/96/37/1122929637.db2.gz UTMNNLBEZJTICF-AWEZNQCLSA-N 0 1 297.402 3.708 20 0 CHADMN C[C@]12CCCC[C@H]1CN2Cc1ccc(F)c(F)c1 ZINC001196666925 1122929900 /nfs/dbraw/zinc/92/99/00/1122929900.db2.gz KGECFMDHAWTMAS-WFASDCNBSA-N 0 1 251.320 3.729 20 0 CHADMN Cc1nn(C)cc1CN(Cc1cccc(Cl)c1)C(C)C ZINC000154468763 1129087438 /nfs/dbraw/zinc/08/74/38/1129087438.db2.gz OJHWIQUGNIRUPD-UHFFFAOYSA-N 0 1 291.826 3.793 20 0 CHADMN Cc1cc(C)cc(N(C)C(=O)c2cc(Cl)ccc2O)c1 ZINC000048443195 1122933819 /nfs/dbraw/zinc/93/38/19/1122933819.db2.gz LPSVKGFCMCLIMU-UHFFFAOYSA-N 0 1 289.762 3.939 20 0 CHADMN Cc1c(CN2CCC[C@H]2c2ccc(Cl)cc2)cnn1C ZINC000507155195 1122934149 /nfs/dbraw/zinc/93/41/49/1122934149.db2.gz NIFQJXLPPSLMFO-INIZCTEOSA-N 0 1 289.810 3.719 20 0 CHADMN CCc1cnc(CN(C)C[C@H](C)C2CCCCC2)o1 ZINC001196807087 1122934383 /nfs/dbraw/zinc/93/43/83/1122934383.db2.gz JVDTYQKIACNAGL-ZDUSSCGKSA-N 0 1 264.413 3.885 20 0 CHADMN CC(C)[C@@H](C)[N@@H+](C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000507189694 1122937375 /nfs/dbraw/zinc/93/73/75/1122937375.db2.gz WHABJPOPYGCYFY-VXGBXAGGSA-N 0 1 266.454 3.744 20 0 CHADMN Cc1cccc(CN(Cc2cnc[nH]2)Cc2ccco2)c1 ZINC000507193117 1122938149 /nfs/dbraw/zinc/93/81/49/1122938149.db2.gz NDIHUPKOEUUICL-UHFFFAOYSA-N 0 1 281.359 3.514 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cnc(N(C)C)s2)cc1 ZINC000507212679 1122938694 /nfs/dbraw/zinc/93/86/94/1122938694.db2.gz OQRGKXPJVFISGM-CYBMUJFWSA-N 0 1 289.448 3.711 20 0 CHADMN Fc1cccc(CN2C[C@@H]3CCC[C@H]3C2)c1Br ZINC000160159076 1122942989 /nfs/dbraw/zinc/94/29/89/1122942989.db2.gz MIZXUDKGSBKJAY-QWRGUYRKSA-N 0 1 298.199 3.820 20 0 CHADMN CCc1nocc1CN(Cc1cccs1)C(C)C ZINC000507249044 1122943171 /nfs/dbraw/zinc/94/31/71/1122943171.db2.gz YZYIGVZBYWHMCV-UHFFFAOYSA-N 0 1 264.394 3.709 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C3CCC3)cc2)[C@H](C)CO1 ZINC000507371327 1122950932 /nfs/dbraw/zinc/95/09/32/1122950932.db2.gz ZQRYUPPPDFLYDX-ZIAGYGMSSA-N 0 1 259.393 3.563 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000427209038 1122952120 /nfs/dbraw/zinc/95/21/20/1122952120.db2.gz LDZGYPLOHPWKIL-CJNGLKHVSA-N 0 1 299.418 3.912 20 0 CHADMN C[C@H](N[C@@H](CCc1ccccc1)C(F)F)[C@H]1CCCOC1 ZINC000507442577 1122954649 /nfs/dbraw/zinc/95/46/49/1122954649.db2.gz ORAHTLBGGAGTBJ-BPUTZDHNSA-N 0 1 297.389 3.658 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2ncccc2CC)c1 ZINC000507504711 1122961155 /nfs/dbraw/zinc/96/11/55/1122961155.db2.gz CLDOBVMAMCBICB-CQSZACIVSA-N 0 1 284.403 3.894 20 0 CHADMN Cc1ccc2[nH]c(-c3cc(F)c(O)c(F)c3)nc2c1 ZINC000154635499 1129090304 /nfs/dbraw/zinc/09/03/04/1129090304.db2.gz NULUECNPDBFYAL-UHFFFAOYSA-N 0 1 260.243 3.522 20 0 CHADMN Cc1ccc2nc(-c3cc(F)c(O)c(F)c3)[nH]c2c1 ZINC000154635499 1129090308 /nfs/dbraw/zinc/09/03/08/1129090308.db2.gz NULUECNPDBFYAL-UHFFFAOYSA-N 0 1 260.243 3.522 20 0 CHADMN COc1nc(Cl)ccc1-c1nc2ccc(C)cc2[nH]1 ZINC001251561791 1122968446 /nfs/dbraw/zinc/96/84/46/1122968446.db2.gz GMDKLICDOAJQEX-UHFFFAOYSA-N 0 1 273.723 3.595 20 0 CHADMN Cc1cnc([C@H](C)N2CCSC3(CCCCC3)C2)o1 ZINC000334236350 1122974407 /nfs/dbraw/zinc/97/44/07/1122974407.db2.gz RCNACECJLDPLDN-ZDUSSCGKSA-N 0 1 280.437 3.796 20 0 CHADMN COC1(C)CCN([C@H](C)c2cc(F)ccc2F)CC1 ZINC000334259452 1122975609 /nfs/dbraw/zinc/97/56/09/1122975609.db2.gz UKMLOMSAIKTKBJ-LLVKDONJSA-N 0 1 269.335 3.527 20 0 CHADMN Cc1nnc([C@H](C)N2CCC(C)(C)[C@@H](c3ccccc3)C2)[nH]1 ZINC001198202109 1122982571 /nfs/dbraw/zinc/98/25/71/1122982571.db2.gz JFDOQHVKDWFONW-XJKSGUPXSA-N 0 1 298.434 3.690 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)Nc1cccc(C)c1C ZINC000334292390 1122982814 /nfs/dbraw/zinc/98/28/14/1122982814.db2.gz NKYRKOHZQXTTEG-UHFFFAOYSA-N 0 1 294.305 3.917 20 0 CHADMN Cc1ccc([C@]2(C)C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001203314973 1122983869 /nfs/dbraw/zinc/98/38/69/1122983869.db2.gz XXBHFQILMKMJBH-IBGZPJMESA-N 0 1 281.399 3.743 20 0 CHADMN Cc1ccc([C@]2(C)CN(Cc3ccccc3)CCO2)cc1 ZINC001203314973 1122983871 /nfs/dbraw/zinc/98/38/71/1122983871.db2.gz XXBHFQILMKMJBH-IBGZPJMESA-N 0 1 281.399 3.743 20 0 CHADMN C[C@H](N[C@@H]1CCCOc2c(Cl)cccc21)c1cn[nH]c1 ZINC000334326332 1122987729 /nfs/dbraw/zinc/98/77/29/1122987729.db2.gz LEWNQTKBZBJNBG-IINYFYTJSA-N 0 1 291.782 3.628 20 0 CHADMN CCOCC1CCN(Cc2ccc(OC)cc2Cl)CC1 ZINC000081672189 1122988458 /nfs/dbraw/zinc/98/84/58/1122988458.db2.gz RMUXHHWPULRRSB-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN CC(=O)Nc1ccc2nc(-c3csc(C)c3)[nH]c2c1 ZINC001251792239 1122988478 /nfs/dbraw/zinc/98/84/78/1122988478.db2.gz SSEAPGSQAIZSGO-UHFFFAOYSA-N 0 1 271.345 3.558 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N1CCC[C@@H](F)C1)CCC2 ZINC001198479654 1122994911 /nfs/dbraw/zinc/99/49/11/1122994911.db2.gz SDTOWUBYZGTVPQ-HIFRSBDPSA-N 0 1 251.320 3.637 20 0 CHADMN C[C@H]1CSCCCN1Cc1ccc(Cl)c(F)c1 ZINC001198517430 1122997400 /nfs/dbraw/zinc/99/74/00/1122997400.db2.gz NNEASGRABUPOBB-JTQLQIEISA-N 0 1 273.804 3.807 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H]1CSc2ccccc21 ZINC000334372889 1122998571 /nfs/dbraw/zinc/99/85/71/1122998571.db2.gz SEUVJERPZFKIDT-DOMZBBRYSA-N 0 1 270.401 3.888 20 0 CHADMN CCc1ccc(CN(Cc2c(C)nn(C)c2C)C2CC2)cc1 ZINC000154869525 1129092384 /nfs/dbraw/zinc/09/23/84/1129092384.db2.gz HZLXCFLMAJTNMV-UHFFFAOYSA-N 0 1 297.446 3.764 20 0 CHADMN Cc1cccc(NC(=S)Nc2ccc(F)c(F)c2O)c1 ZINC001198689381 1123004250 /nfs/dbraw/zinc/00/42/50/1123004250.db2.gz RPMRQIXRKHESHB-UHFFFAOYSA-N 0 1 294.326 3.788 20 0 CHADMN COc1ccc(OC)c(CN2[C@H](C)CCC[C@@H]2C)c1F ZINC001237567942 1129092753 /nfs/dbraw/zinc/09/27/53/1129092753.db2.gz IOXCQLVOCXLZSC-TXEJJXNPSA-N 0 1 281.371 3.606 20 0 CHADMN COc1c(C)cc(CNCc2ccc(C)c(C)n2)cc1C ZINC000839163330 1123008747 /nfs/dbraw/zinc/00/87/47/1123008747.db2.gz IAECRCFQXBVDNB-UHFFFAOYSA-N 0 1 284.403 3.614 20 0 CHADMN Fc1ccc(CN2CCO[C@H](c3ccccc3)CC2)cc1 ZINC001198707192 1123009224 /nfs/dbraw/zinc/00/92/24/1123009224.db2.gz SFVKEPKNPACOBH-SFHVURJKSA-N 0 1 285.362 3.789 20 0 CHADMN Cc1ccc(/C=C\CC(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000440592299 1123018429 /nfs/dbraw/zinc/01/84/29/1123018429.db2.gz VPLWIUAFLKTOOQ-IHWYPQMZSA-N 0 1 291.354 3.913 20 0 CHADMN Cc1cccc(C)c1[C@@H](C)NCc1cc(C(F)(F)F)n[nH]1 ZINC000440612816 1123020905 /nfs/dbraw/zinc/02/09/05/1123020905.db2.gz CJDRPSZADMLRFB-LLVKDONJSA-N 0 1 297.324 3.896 20 0 CHADMN CCOCc1ccc(CNCc2sccc2OC)cc1 ZINC001199190101 1123023379 /nfs/dbraw/zinc/02/33/79/1123023379.db2.gz UAXTULLCGCSZJS-UHFFFAOYSA-N 0 1 291.416 3.583 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1nnc(C(C)(C)C)o1)C1CC1 ZINC000104966486 1123028358 /nfs/dbraw/zinc/02/83/58/1123028358.db2.gz BZFOSWZNNAMFOB-RYUDHWBXSA-N 0 1 279.428 3.766 20 0 CHADMN CCc1csc([C@H]2CCCN(C[C@H](F)CC)C2)n1 ZINC000440700419 1123029653 /nfs/dbraw/zinc/02/96/53/1123029653.db2.gz XIAYHQXEGOXOLK-NWDGAFQWSA-N 0 1 270.417 3.633 20 0 CHADMN CC[C@H](F)CN1CCC[C@H](c2nc(C)c(C)s2)C1 ZINC000440697088 1123029840 /nfs/dbraw/zinc/02/98/40/1123029840.db2.gz KYTMEAQLSOTEKS-STQMWFEESA-N 0 1 270.417 3.687 20 0 CHADMN CC[C@@H](F)CN1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000440699333 1123030106 /nfs/dbraw/zinc/03/01/06/1123030106.db2.gz SJQKYNMYUHGMCZ-OAHLLOKOSA-N 0 1 279.399 3.895 20 0 CHADMN CC[C@H](F)CN1CCC[C@H]1c1ccccc1OC ZINC000440708938 1123031084 /nfs/dbraw/zinc/03/10/84/1123031084.db2.gz BAKWRVATACLJQR-JSGCOSHPSA-N 0 1 251.345 3.580 20 0 CHADMN CC[C@@](C)(NCc1ccc(OC)cn1)c1ccccc1 ZINC000776005634 1123034420 /nfs/dbraw/zinc/03/44/20/1123034420.db2.gz AMBLNUTVFUCYTK-QGZVFWFLSA-N 0 1 270.376 3.505 20 0 CHADMN CC(C)CN(CC(=O)Nc1ccccc1)Cc1ccccc1 ZINC000519905118 1123038763 /nfs/dbraw/zinc/03/87/63/1123038763.db2.gz UGYJGKZDESCGOI-UHFFFAOYSA-N 0 1 296.414 3.783 20 0 CHADMN CC[C@H](F)CN1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000440781951 1123039699 /nfs/dbraw/zinc/03/96/99/1123039699.db2.gz BKPHAHJDZXNQBS-SNPRPXQTSA-N 0 1 267.413 3.913 20 0 CHADMN Cc1nccc(N2CCC[C@H]2c2cccnc2)c1Cl ZINC000334479441 1123041456 /nfs/dbraw/zinc/04/14/56/1123041456.db2.gz SVARHACEQVRYFT-ZDUSSCGKSA-N 0 1 273.767 3.780 20 0 CHADMN CC[C@H](F)CN1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000440797023 1123041529 /nfs/dbraw/zinc/04/15/29/1123041529.db2.gz MPWUBEJUWTZTIH-HUBLWGQQSA-N 0 1 253.336 3.957 20 0 CHADMN CCN(Cc1cnn(C)c1)Cc1ccc(C(C)C)cc1 ZINC000155017283 1129095188 /nfs/dbraw/zinc/09/51/88/1129095188.db2.gz SKMCHSUJOZZNSF-UHFFFAOYSA-N 0 1 271.408 3.566 20 0 CHADMN Cc1ccc(CNCc2nccn2C2CC2)c2ccccc12 ZINC000894896476 1123050711 /nfs/dbraw/zinc/05/07/11/1123050711.db2.gz XVEPPOQJVROMPW-UHFFFAOYSA-N 0 1 291.398 3.969 20 0 CHADMN CCc1noc([C@@H](C)N2C[C@@H](c3ccccc3)C(C)(C)C2)n1 ZINC000441067600 1123055976 /nfs/dbraw/zinc/05/59/76/1123055976.db2.gz BKSBLVKMVIBGGV-HIFRSBDPSA-N 0 1 299.418 3.819 20 0 CHADMN CCCN(CC)Cc1csc(Nc2ccccc2)n1 ZINC000520168996 1123059790 /nfs/dbraw/zinc/05/97/90/1123059790.db2.gz NGQRBSWZUXOOMO-UHFFFAOYSA-N 0 1 275.421 3.541 20 0 CHADMN C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1cnsc1 ZINC001200864256 1123062290 /nfs/dbraw/zinc/06/22/90/1123062290.db2.gz UEVPMMOSAFZBHL-ZUZCIYMTSA-N 0 1 276.380 3.695 20 0 CHADMN CSC[C@H](C)N[C@H](c1cccc(C)c1)c1ccccn1 ZINC000925100022 1123073354 /nfs/dbraw/zinc/07/33/54/1123073354.db2.gz ZURJSIALOJZYBP-WMLDXEAASA-N 0 1 286.444 3.821 20 0 CHADMN CCc1cc(CN[C@H](C)c2cc3cccc(OC)c3o2)n[nH]1 ZINC000776157177 1123089279 /nfs/dbraw/zinc/08/92/79/1123089279.db2.gz OOIGUWNRRJGITF-LLVKDONJSA-N 0 1 299.374 3.578 20 0 CHADMN CCc1cc(CN[C@H](C)c2cc3cccc(OC)c3o2)[nH]n1 ZINC000776157177 1123089283 /nfs/dbraw/zinc/08/92/83/1123089283.db2.gz OOIGUWNRRJGITF-LLVKDONJSA-N 0 1 299.374 3.578 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(F)ccc2F)cc1 ZINC000070165608 1123089311 /nfs/dbraw/zinc/08/93/11/1123089311.db2.gz ALPWBMJWWGPOLS-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN CCOc1ncccc1CN[C@@H](C)c1cccc(Cl)c1 ZINC000112522229 1123091135 /nfs/dbraw/zinc/09/11/35/1123091135.db2.gz RWIPJJRQPVNTOC-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(C)nc2)cc1Cl ZINC000112530403 1123091687 /nfs/dbraw/zinc/09/16/87/1123091687.db2.gz GKHQSGMJZPMYQW-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1cc(F)ncc1CN1CCC[C@H](CC(F)(F)F)C1 ZINC000894974642 1123096387 /nfs/dbraw/zinc/09/63/87/1123096387.db2.gz IFEHYKWXWGJASK-LLVKDONJSA-N 0 1 290.304 3.694 20 0 CHADMN Cc1coc(CN2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000895034445 1123102882 /nfs/dbraw/zinc/10/28/82/1123102882.db2.gz SCUDLPNTATVJHP-LLVKDONJSA-N 0 1 261.287 3.752 20 0 CHADMN CN(C)c1cccc(CNCc2ccc(C(C)(C)C)cc2)n1 ZINC001201536054 1123115657 /nfs/dbraw/zinc/11/56/57/1123115657.db2.gz MINHBBYYPVWHEX-UHFFFAOYSA-N 0 1 297.446 3.735 20 0 CHADMN CCC[C@H](C)CN(Cc1ccccn1)Cc1ccccn1 ZINC001201539071 1123116735 /nfs/dbraw/zinc/11/67/35/1123116735.db2.gz OZCPYGBOLLZOGF-INIZCTEOSA-N 0 1 283.419 3.915 20 0 CHADMN CCC[C@@H](C)CN1CCc2sc(C(=O)OCC)cc2C1 ZINC001201551653 1123119129 /nfs/dbraw/zinc/11/91/29/1123119129.db2.gz CMESRWAAYWVLBQ-GFCCVEGCSA-N 0 1 295.448 3.719 20 0 CHADMN CCC(CC)CN(Cc1ccccn1)Cc1ccccn1 ZINC001201520527 1123121810 /nfs/dbraw/zinc/12/18/10/1123121810.db2.gz CGEHOFKUXPLYLF-UHFFFAOYSA-N 0 1 283.419 3.915 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000330620150 1123122865 /nfs/dbraw/zinc/12/28/65/1123122865.db2.gz JCYJFEGIKDRSLR-WPRPVWTQSA-N 0 1 285.338 3.811 20 0 CHADMN CCCCC[N@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000441435509 1123123656 /nfs/dbraw/zinc/12/36/56/1123123656.db2.gz CIOSKCHOYGAHQS-DOTOQJQBSA-N 0 1 261.409 3.947 20 0 CHADMN Fc1ccc(-n2ccc(C[N@H+]3CCC[C@H]4CCC[C@@H]43)n2)cc1 ZINC000441435150 1123123752 /nfs/dbraw/zinc/12/37/52/1123123752.db2.gz LKXHJPUHQHFQPX-KDOFPFPSSA-N 0 1 299.393 3.776 20 0 CHADMN Fc1ccc(-n2ccc(CN3CCC[C@H]4CCC[C@@H]43)n2)cc1 ZINC000441435150 1123123753 /nfs/dbraw/zinc/12/37/53/1123123753.db2.gz LKXHJPUHQHFQPX-KDOFPFPSSA-N 0 1 299.393 3.776 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1nnc(-c2ccccc2)s1 ZINC000155215670 1129100269 /nfs/dbraw/zinc/10/02/69/1129100269.db2.gz CXDABXPONJAAJL-BETUJISGSA-N 0 1 287.432 3.968 20 0 CHADMN CCN1CCC[C@@H](Oc2cc(C)ccc2Cl)C1 ZINC001201581645 1123127645 /nfs/dbraw/zinc/12/76/45/1123127645.db2.gz JWOQLMCJIKWDEI-GFCCVEGCSA-N 0 1 253.773 3.512 20 0 CHADMN C[C@@H]1CCCN(Cc2ccn(-c3ccc(F)cc3)n2)[C@H]1C ZINC000441448991 1123128763 /nfs/dbraw/zinc/12/87/63/1123128763.db2.gz PZXYBXVXANWOAF-KGLIPLIRSA-N 0 1 287.382 3.632 20 0 CHADMN FC(F)(F)c1n[nH]c2c1CCN(CCc1ccccc1)C2 ZINC001201606263 1123130678 /nfs/dbraw/zinc/13/06/78/1123130678.db2.gz SRLGDAUDSXQSOA-CQSZACIVSA-N 0 1 295.308 3.586 20 0 CHADMN CC(C)CC[N@H+]1CCSC[C@@H]1c1ccc(F)cc1 ZINC001201623895 1123132559 /nfs/dbraw/zinc/13/25/59/1123132559.db2.gz DDACGYFGLQBUIH-OAHLLOKOSA-N 0 1 267.413 3.962 20 0 CHADMN C[C@H]1CN(c2ccnc3cc(F)ccc32)CC2(CCC2)O1 ZINC000645393423 1123152805 /nfs/dbraw/zinc/15/28/05/1123152805.db2.gz XIWCHDGOXJUTNF-LBPRGKRZSA-N 0 1 286.350 3.522 20 0 CHADMN CCCN1CCC[C@H]1C(=O)Nc1cc(SC)ccc1C ZINC000343298845 1123162361 /nfs/dbraw/zinc/16/23/61/1123162361.db2.gz IYONKVLFIRLXRJ-HNNXBMFYSA-N 0 1 292.448 3.530 20 0 CHADMN CCc1nnc([C@H](C)N[C@H]2CCC[C@@H]2c2ccccc2)o1 ZINC000133979390 1123169763 /nfs/dbraw/zinc/16/97/63/1123169763.db2.gz JQONQGZWOCILMU-CFVMTHIKSA-N 0 1 285.391 3.619 20 0 CHADMN COc1ccc(F)c(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000507775070 1123170765 /nfs/dbraw/zinc/17/07/65/1123170765.db2.gz ZDLSAFKSZCSOJG-MLGOLLRUSA-N 0 1 263.356 3.599 20 0 CHADMN COc1cccc(C)c1CN[C@@H]1CCOc2c(C)cccc21 ZINC000639098805 1123176808 /nfs/dbraw/zinc/17/68/08/1123176808.db2.gz YNGONRODICPFFA-QGZVFWFLSA-N 0 1 297.398 3.925 20 0 CHADMN COc1cc(CN2CCS[C@H](C)[C@@H]2C)ccc1SC ZINC000118415954 1123183236 /nfs/dbraw/zinc/18/32/36/1123183236.db2.gz SCAGMBIOADZPRW-NWDGAFQWSA-N 0 1 297.489 3.743 20 0 CHADMN Cc1ccccc1C1(NCc2cnc(F)cc2C)CC1 ZINC000895092136 1123190967 /nfs/dbraw/zinc/19/09/67/1123190967.db2.gz NRQMFBKPDWWDFF-UHFFFAOYSA-N 0 1 270.351 3.616 20 0 CHADMN O=C(Nc1cccc(Cl)c1)Nc1cc(O)c(F)c(F)c1 ZINC001202247994 1123193835 /nfs/dbraw/zinc/19/38/35/1123193835.db2.gz PXQRNZDFQGAQMJ-UHFFFAOYSA-N 0 1 298.676 3.968 20 0 CHADMN FC(F)(F)c1ccc([C@H]2CN(CC3CCC3)CCO2)cc1 ZINC000520640535 1123195008 /nfs/dbraw/zinc/19/50/08/1123195008.db2.gz BXLULXUVPUOSQB-OAHLLOKOSA-N 0 1 299.336 3.879 20 0 CHADMN COc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1C ZINC000237213897 1123196464 /nfs/dbraw/zinc/19/64/64/1123196464.db2.gz OJDPCRQNOCZHTR-UHFFFAOYSA-N 0 1 291.778 3.652 20 0 CHADMN Fc1cccc2cc(CNc3ccc4nc[nH]c4c3)cnc12 ZINC001202349597 1123197303 /nfs/dbraw/zinc/19/73/03/1123197303.db2.gz BHMDRASJUXCCMI-UHFFFAOYSA-N 0 1 292.317 3.862 20 0 CHADMN Cc1cc2oc(=O)cc(C[N@H+]3CC(C)=C[C@H](C)C3)c2cc1C ZINC000797526467 1123199591 /nfs/dbraw/zinc/19/95/91/1123199591.db2.gz QUCVXUJAGXXZAJ-LBPRGKRZSA-N 0 1 297.398 3.808 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2ccc3c(n2)CCC3)n1 ZINC000334516144 1123200804 /nfs/dbraw/zinc/20/08/04/1123200804.db2.gz XWMGQQPBPHYOGM-IBGZPJMESA-N 0 1 293.414 3.611 20 0 CHADMN FC(F)(F)CCC[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001202442663 1123208189 /nfs/dbraw/zinc/20/81/89/1123208189.db2.gz MHEWGYJOIIFBHX-CYBMUJFWSA-N 0 1 279.346 3.610 20 0 CHADMN FC(F)(F)CCCN1CCOC[C@@H]1C1CCCCC1 ZINC001202442663 1123208191 /nfs/dbraw/zinc/20/81/91/1123208191.db2.gz MHEWGYJOIIFBHX-CYBMUJFWSA-N 0 1 279.346 3.610 20 0 CHADMN CC[C@@H]1C[C@@H](CN(CC)Cc2c(F)cccc2F)CCO1 ZINC000507800111 1123208784 /nfs/dbraw/zinc/20/87/84/1123208784.db2.gz YINVSAQFWDJBDT-UONOGXRCSA-N 0 1 297.389 3.992 20 0 CHADMN CC(C)N(CCCC(F)(F)F)CC(=O)c1ccccc1 ZINC001202433174 1123210749 /nfs/dbraw/zinc/21/07/49/1123210749.db2.gz GDJMQIQNZRNIOJ-UHFFFAOYSA-N 0 1 287.325 3.922 20 0 CHADMN FC1(F)CCC[C@@H]1CCSc1nc(C2CC2)n[nH]1 ZINC000882088534 1123214682 /nfs/dbraw/zinc/21/46/82/1123214682.db2.gz HBYXWNNLPDXOPR-SECBINFHSA-N 0 1 273.352 3.600 20 0 CHADMN FC1(F)CCC[C@@H]1CCSc1n[nH]c(C2CC2)n1 ZINC000882088534 1123214683 /nfs/dbraw/zinc/21/46/83/1123214683.db2.gz HBYXWNNLPDXOPR-SECBINFHSA-N 0 1 273.352 3.600 20 0 CHADMN Clc1c2ccccc2oc1CN1CC([C@H]2CCOC2)C1 ZINC000639119574 1123217390 /nfs/dbraw/zinc/21/73/90/1123217390.db2.gz LPDTWEAZHWXTQW-NSHDSACASA-N 0 1 291.778 3.555 20 0 CHADMN CC[C@H]1C[C@@H](CN2CCc3ccc(F)c(F)c3C2)CCO1 ZINC000507815252 1123224637 /nfs/dbraw/zinc/22/46/37/1123224637.db2.gz WCXFMTSAEDCNGI-JSGCOSHPSA-N 0 1 295.373 3.528 20 0 CHADMN CC(C)c1noc(CN[C@@H](C)[C@H](C)C2CCCCC2)n1 ZINC000185497363 1123228843 /nfs/dbraw/zinc/22/88/43/1123228843.db2.gz STVKHEJVBOFGNP-STQMWFEESA-N 0 1 279.428 3.888 20 0 CHADMN Cc1nnc([C@H](C)N[C@@H](C)[C@@H](C)C2CCCCC2)o1 ZINC000185505839 1123229403 /nfs/dbraw/zinc/22/94/03/1123229403.db2.gz QZLZHRQAYWJLKV-WOPDTQHZSA-N 0 1 265.401 3.634 20 0 CHADMN CCN(c1ccc(NCc2nc(C)c(C)[nH]2)cc1)C(C)C ZINC000850044889 1123238510 /nfs/dbraw/zinc/23/85/10/1123238510.db2.gz ZLUSOOYLXQYARQ-UHFFFAOYSA-N 0 1 286.423 3.873 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H]1CCCc2c(F)cccc21 ZINC000334521924 1123240767 /nfs/dbraw/zinc/24/07/67/1123240767.db2.gz HQUZMWWDLVPEOX-BLLLJJGKSA-N 0 1 285.366 3.652 20 0 CHADMN c1nc(CN2CCC3(CCCC3)CC2)oc1C1CC1 ZINC000334521629 1123241393 /nfs/dbraw/zinc/24/13/93/1123241393.db2.gz WJOFJIDYXOOAGR-UHFFFAOYSA-N 0 1 260.381 3.708 20 0 CHADMN Cn1cccc1C[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000507873626 1123243742 /nfs/dbraw/zinc/24/37/42/1123243742.db2.gz HLQNQAFLVLYBBX-FLVLSHQESA-N 0 1 266.388 3.703 20 0 CHADMN CC(C)c1nc([C@H](C)[N@H+]2CCC[C@@]3(CCOC3)C2)cs1 ZINC000334530546 1123244123 /nfs/dbraw/zinc/24/41/23/1123244123.db2.gz LMXZSHFIXVDLQF-XJKSGUPXSA-N 0 1 294.464 3.830 20 0 CHADMN CC(C)c1nc([C@H](C)N2CCC[C@@]3(CCOC3)C2)cs1 ZINC000334530546 1123244126 /nfs/dbraw/zinc/24/41/26/1123244126.db2.gz LMXZSHFIXVDLQF-XJKSGUPXSA-N 0 1 294.464 3.830 20 0 CHADMN Cc1n[nH]c(CN(C)[C@@H](C)CSc2ccccc2)c1C ZINC000895133512 1123246603 /nfs/dbraw/zinc/24/66/03/1123246603.db2.gz KSYFYCMHFONNLG-LBPRGKRZSA-N 0 1 289.448 3.639 20 0 CHADMN Cc1cc(CN[C@H]2CC[C@H](C)c3ccsc32)on1 ZINC000334542066 1123249130 /nfs/dbraw/zinc/24/91/30/1123249130.db2.gz GODAYNJHUHMOHR-ZANVPECISA-N 0 1 262.378 3.773 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cn2cccnc2=S)c1 ZINC000193732060 1129108821 /nfs/dbraw/zinc/10/88/21/1129108821.db2.gz NTUJSUKRRVYFGQ-OAHLLOKOSA-N 0 1 285.416 3.716 20 0 CHADMN CC(C)SCCNc1ccnc2cc(F)ccc21 ZINC000343809134 1123252593 /nfs/dbraw/zinc/25/25/93/1123252593.db2.gz NKTZIUCSYGWNQG-UHFFFAOYSA-N 0 1 264.369 3.927 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](C)c2ccccc2C)cn1 ZINC000427829888 1123253350 /nfs/dbraw/zinc/25/33/50/1123253350.db2.gz YQFJOYWASHJBKB-KGLIPLIRSA-N 0 1 255.365 3.505 20 0 CHADMN Cc1cnc([C@@H](C)N[C@@H](C)c2cccc(OC(C)C)c2)cn1 ZINC000427824431 1123253384 /nfs/dbraw/zinc/25/33/84/1123253384.db2.gz IWIYQMOHDIEKFY-LSDHHAIUSA-N 0 1 299.418 3.984 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2cnc(C)cn2)c1 ZINC000427834685 1123254714 /nfs/dbraw/zinc/25/47/14/1123254714.db2.gz YIVDHIFVJNVBAO-CABCVRRESA-N 0 1 269.392 3.814 20 0 CHADMN Fc1ccc(C(F)(F)F)cc1CN[C@H]1C=CCC1 ZINC000850358792 1123256344 /nfs/dbraw/zinc/25/63/44/1123256344.db2.gz LMTHKUUAIQEVTN-NSHDSACASA-N 0 1 259.246 3.653 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](C)c2c(C)cccc2C)cn1 ZINC000427858947 1123256852 /nfs/dbraw/zinc/25/68/52/1123256852.db2.gz UYVCJUYZFSVGGF-LSDHHAIUSA-N 0 1 269.392 3.814 20 0 CHADMN Cc1cc(F)c(CN[C@H]2COC3(CCC3)C2)c(Cl)c1 ZINC000850370322 1123258492 /nfs/dbraw/zinc/25/84/92/1123258492.db2.gz NTYSHEGUYKDXJB-LLVKDONJSA-N 0 1 283.774 3.589 20 0 CHADMN CCCOc1cccc(CN[C@H]2C[C@@H](O)c3ccccc32)c1 ZINC000850370729 1123258620 /nfs/dbraw/zinc/25/86/20/1123258620.db2.gz FZVCVQVFMDBODT-RBUKOAKNSA-N 0 1 297.398 3.743 20 0 CHADMN Clc1cnc(CNC2CC3(C2)CCCCC3)s1 ZINC000850396471 1123262711 /nfs/dbraw/zinc/26/27/11/1123262711.db2.gz KAYDHERWLCKRHU-UHFFFAOYSA-N 0 1 270.829 3.999 20 0 CHADMN C[C@@H](NC1(C(=O)Nc2ccccc2)CC1)c1ccsc1 ZINC000427969478 1123265483 /nfs/dbraw/zinc/26/54/83/1123265483.db2.gz XDFOYHJXWFFMPR-GFCCVEGCSA-N 0 1 286.400 3.570 20 0 CHADMN CC(C)[C@@H](C)[N@@H+](C)Cc1csc(Nc2ccccc2)n1 ZINC000520792633 1123266145 /nfs/dbraw/zinc/26/61/45/1123266145.db2.gz BAOOJRCVVGANRK-CYBMUJFWSA-N 0 1 289.448 3.785 20 0 CHADMN CC(C)[C@@H](C)N(C)Cc1csc(Nc2ccccc2)n1 ZINC000520792633 1123266148 /nfs/dbraw/zinc/26/61/48/1123266148.db2.gz BAOOJRCVVGANRK-CYBMUJFWSA-N 0 1 289.448 3.785 20 0 CHADMN C[C@@H](N[C@H](C)c1cc2cnccc2o1)c1ccoc1 ZINC000850445600 1123268014 /nfs/dbraw/zinc/26/80/14/1123268014.db2.gz FYXVFBYFVPJRCM-GHMZBOCLSA-N 0 1 256.305 3.833 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(Cl)c(F)c1)c1cnn(C)c1 ZINC000311568380 1129110285 /nfs/dbraw/zinc/11/02/85/1129110285.db2.gz FEQGYQXKVKJFLL-NXEZZACHSA-N 0 1 281.762 3.624 20 0 CHADMN Cc1ccc(CSc2nc(-c3cccnc3)n[nH]2)cc1C ZINC000428089484 1123272591 /nfs/dbraw/zinc/27/25/91/1123272591.db2.gz HYIKJBCDQDQORO-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN COc1cc(C)c(C)cc1N[C@@H]1CCCc2[nH]ncc21 ZINC000850501203 1123275338 /nfs/dbraw/zinc/27/53/38/1123275338.db2.gz KSDKIJUXAUGXLA-CYBMUJFWSA-N 0 1 271.364 3.525 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2C[C@H](O)c3ccccc32)cs1 ZINC000850526260 1123282333 /nfs/dbraw/zinc/28/23/33/1123282333.db2.gz OOGQNUQSASSJQT-XZJROXQQSA-N 0 1 273.401 3.886 20 0 CHADMN O[C@@H]1C[C@@H](N[C@H]2CCSc3ccccc32)c2ccccc21 ZINC000850527557 1123283330 /nfs/dbraw/zinc/28/33/30/1123283330.db2.gz ASKKLDJIAIMEOO-GVDBMIGSSA-N 0 1 297.423 3.992 20 0 CHADMN O[C@@H]1C[C@@H](N[C@@H]2CCCOc3ccccc32)c2ccccc21 ZINC000850528966 1123283367 /nfs/dbraw/zinc/28/33/67/1123283367.db2.gz ONKLWEIULMVUNB-KZNAEPCWSA-N 0 1 295.382 3.668 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@@H]2C[C@H](O)c3ccccc32)s1 ZINC000850529032 1123283837 /nfs/dbraw/zinc/28/38/37/1123283837.db2.gz MUTTVLAOFFTFMW-VQISRLSMSA-N 0 1 288.416 3.589 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1ccccc1N(C)C ZINC000850529820 1123283863 /nfs/dbraw/zinc/28/38/63/1123283863.db2.gz UFFICBULJDYQLB-SOVGHPHASA-N 0 1 296.414 3.582 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1ccc(F)c(F)c1 ZINC000850530368 1123285027 /nfs/dbraw/zinc/28/50/27/1123285027.db2.gz XYIYPSYQSKMVKS-HKJPBSJPSA-N 0 1 289.325 3.794 20 0 CHADMN Cc1cc([C@H](C)NCc2cc3cc(C)ccc3o2)n(C)n1 ZINC000850531306 1123285407 /nfs/dbraw/zinc/28/54/07/1123285407.db2.gz IXTALCWGZUHRDB-ZDUSSCGKSA-N 0 1 283.375 3.634 20 0 CHADMN C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C[C@H]1C ZINC000520824105 1123286541 /nfs/dbraw/zinc/28/65/41/1123286541.db2.gz RQJHVOSJCOCQSC-GPCCPHFNSA-N 0 1 299.773 3.583 20 0 CHADMN CCc1[nH]ncc1CN(C)Cc1c(Cl)cccc1Cl ZINC001237650909 1129111606 /nfs/dbraw/zinc/11/16/06/1129111606.db2.gz KRCWAVIVRKNEFW-UHFFFAOYSA-N 0 1 298.217 3.911 20 0 CHADMN CCc1nnc([C@H](C)N2CCC[C@@](C)(c3ccccc3)C2)o1 ZINC000113265560 1123292321 /nfs/dbraw/zinc/29/23/21/1123292321.db2.gz WXRXPDLNWVJECM-KBXCAEBGSA-N 0 1 299.418 3.747 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2n[nH]c(C(C)C)n2)s1 ZINC000428240301 1123295354 /nfs/dbraw/zinc/29/53/54/1123295354.db2.gz IJUSGDDNLFZYJV-GFCCVEGCSA-N 0 1 290.436 3.635 20 0 CHADMN C[C@H](N[C@H]1CCc2cc(N)ccc21)c1cccc(F)c1F ZINC000665269492 1123295882 /nfs/dbraw/zinc/29/58/82/1123295882.db2.gz HJWVIJVVTAWBFO-QFYYESIMSA-N 0 1 288.341 3.885 20 0 CHADMN CCCN[C@H](C)c1nc(C2(c3ccccc3)CCC2)no1 ZINC000109514159 1123299047 /nfs/dbraw/zinc/29/90/47/1123299047.db2.gz GLUXMZROSHDEJI-CYBMUJFWSA-N 0 1 285.391 3.600 20 0 CHADMN C[C@H]1CCC[C@H]1NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000074353286 1123301260 /nfs/dbraw/zinc/30/12/60/1123301260.db2.gz RHJZVNGZDDMFGM-SUMWQHHRSA-N 0 1 295.386 3.744 20 0 CHADMN Cc1cc(NCc2n[nH]c(C3CC3)n2)cc(C)c1Cl ZINC000442093548 1123301695 /nfs/dbraw/zinc/30/16/95/1123301695.db2.gz ZFFPHHGVNGKVGU-UHFFFAOYSA-N 0 1 276.771 3.564 20 0 CHADMN C[C@@H]1C[C@@H](NCc2ccc(F)cn2)c2ccccc21 ZINC000335120236 1123304653 /nfs/dbraw/zinc/30/46/53/1123304653.db2.gz WLTLNNUVAQOWAE-BDJLRTHQSA-N 0 1 256.324 3.559 20 0 CHADMN CCC[C@@H]1CN(Cc2c(C)oc3ccccc32)CCO1 ZINC000353884852 1123313478 /nfs/dbraw/zinc/31/34/78/1123313478.db2.gz YJNCTVLCIORBFH-CQSZACIVSA-N 0 1 273.376 3.742 20 0 CHADMN Cc1ncsc1CN1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000335165215 1123315676 /nfs/dbraw/zinc/31/56/76/1123315676.db2.gz QJFBPGOOVQPZFV-NXEZZACHSA-N 0 1 278.343 3.614 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000335164290 1123317937 /nfs/dbraw/zinc/31/79/37/1123317937.db2.gz YYAOQPXDNVVUCA-GHMZBOCLSA-N 0 1 291.782 3.620 20 0 CHADMN CCO[C@H](C)c1nc(CN2CC[C@@H](C3CCC3)C2)cs1 ZINC000665286712 1123324348 /nfs/dbraw/zinc/32/43/48/1123324348.db2.gz SDNUOFHDTVMLTD-TZMCWYRMSA-N 0 1 294.464 3.863 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2n[nH]c(C(C)C)n2)c1C ZINC000428255357 1123329920 /nfs/dbraw/zinc/32/99/20/1123329920.db2.gz XRWSGQHFVVKNRN-MRXNPFEDSA-N 0 1 298.434 3.882 20 0 CHADMN NC1(c2noc(-c3cccc(C(F)F)c3)n2)CCCCC1 ZINC000335251472 1123330764 /nfs/dbraw/zinc/33/07/64/1123330764.db2.gz VFGIAJICUIEMMX-UHFFFAOYSA-N 0 1 293.317 3.792 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@@H](C)c1cccc(O)c1 ZINC000442866802 1123343971 /nfs/dbraw/zinc/34/39/71/1123343971.db2.gz MROPLFAEAXFQQK-STQMWFEESA-N 0 1 270.376 3.761 20 0 CHADMN CC(C)CC[C@@H]1CCCN1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442881329 1123346240 /nfs/dbraw/zinc/34/62/40/1123346240.db2.gz MJRGBORBBROBRZ-LBPRGKRZSA-N 0 1 289.345 3.829 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442884728 1123346969 /nfs/dbraw/zinc/34/69/69/1123346969.db2.gz ZEUJABOBWOKDAR-JQWIXIFHSA-N 0 1 289.345 3.829 20 0 CHADMN Cc1ccc2occ(Cc3nc([C@@H](N)CC(C)C)no3)c2c1 ZINC000634555406 1129116941 /nfs/dbraw/zinc/11/69/41/1129116941.db2.gz JSGCZUBGJJYQAC-AWEZNQCLSA-N 0 1 299.374 3.761 20 0 CHADMN CC(C)n1cc(CN2CCCC3(CCCCC3)CC2)nn1 ZINC000348415436 1123364616 /nfs/dbraw/zinc/36/46/16/1123364616.db2.gz WLFZCXCDSQWSMU-UHFFFAOYSA-N 0 1 290.455 3.795 20 0 CHADMN Fc1cccc(CN2CCC[C@@H]2c2cccs2)n1 ZINC000851713990 1123373521 /nfs/dbraw/zinc/37/35/21/1123373521.db2.gz NEZBMJVOEUDTMM-GFCCVEGCSA-N 0 1 262.353 3.619 20 0 CHADMN Cc1ccccc1[C@@H](C)N(C)Cc1cccc(F)n1 ZINC000851734141 1123375211 /nfs/dbraw/zinc/37/52/11/1123375211.db2.gz OJPDHIRMQOQANP-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN CCc1nnc([C@H](C)N2CCC[C@H](c3ccccc3)CC2)[nH]1 ZINC000851749489 1123379475 /nfs/dbraw/zinc/37/94/75/1123379475.db2.gz ZQLNFEDPMFLAIC-HOCLYGCPSA-N 0 1 298.434 3.698 20 0 CHADMN c1ccc2oc(CN3CCC[C@@]4(CCSC4)C3)nc2c1 ZINC000335572788 1123382063 /nfs/dbraw/zinc/38/20/63/1123382063.db2.gz POHCIJKFLYGVAG-MRXNPFEDSA-N 0 1 288.416 3.547 20 0 CHADMN Cc1nc(CN(C)[C@H](C)Cc2ccc(C)cc2)oc1C ZINC000156876781 1129118218 /nfs/dbraw/zinc/11/82/18/1129118218.db2.gz BRZYDSIKFAUZNT-CYBMUJFWSA-N 0 1 272.392 3.663 20 0 CHADMN Fc1cccc(C=C2CCN(CCOC(F)F)CC2)c1 ZINC000851857473 1123386316 /nfs/dbraw/zinc/38/63/16/1123386316.db2.gz SDMJMADZXCEVTQ-UHFFFAOYSA-N 0 1 285.309 3.544 20 0 CHADMN C[C@@H](NCc1cc(C2CC2)no1)c1ccc2c(c1)CCC2 ZINC000851898594 1123387331 /nfs/dbraw/zinc/38/73/31/1123387331.db2.gz VLGAGKSZMGGAPV-GFCCVEGCSA-N 0 1 282.387 3.892 20 0 CHADMN CC[C@H](NCc1cc(C2CC2)no1)c1cccs1 ZINC000851923630 1123389263 /nfs/dbraw/zinc/38/92/63/1123389263.db2.gz FEGGKONUHBXHJI-LBPRGKRZSA-N 0 1 262.378 3.854 20 0 CHADMN COc1ccc(CN[C@@H](C)c2csc(Cl)c2)cn1 ZINC000191150004 1123390098 /nfs/dbraw/zinc/39/00/98/1123390098.db2.gz AMQBWHFUAMKBQB-VIFPVBQESA-N 0 1 282.796 3.656 20 0 CHADMN FC1(F)C[C@H]1OCC[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000851937794 1123390112 /nfs/dbraw/zinc/39/01/12/1123390112.db2.gz CGBVVCDOIXGTPN-LSDHHAIUSA-N 0 1 281.346 3.638 20 0 CHADMN CC[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1OC ZINC000522080904 1123390308 /nfs/dbraw/zinc/39/03/08/1123390308.db2.gz BRVAYEHJZXKWBV-ZDUSSCGKSA-N 0 1 253.773 3.723 20 0 CHADMN FC1(F)C[C@@H]1OCC[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000851937789 1123390410 /nfs/dbraw/zinc/39/04/10/1123390410.db2.gz CGBVVCDOIXGTPN-GJZGRUSLSA-N 0 1 281.346 3.638 20 0 CHADMN CCO[C@H](C)c1noc(CN2CCC[C@@H]2C(C)(C)CC)n1 ZINC000156840518 1129118696 /nfs/dbraw/zinc/11/86/96/1129118696.db2.gz RKKDNLPOKTWBAC-CHWSQXEVSA-N 0 1 295.427 3.568 20 0 CHADMN COc1cccc(SCCN2CCC(F)(F)CC2)c1 ZINC000852001646 1123393672 /nfs/dbraw/zinc/39/36/72/1123393672.db2.gz LTOFJQLTJRMJCQ-UHFFFAOYSA-N 0 1 287.375 3.518 20 0 CHADMN FC1(c2ccccn2)CCN(Cc2ccsc2)CC1 ZINC000852021887 1123393749 /nfs/dbraw/zinc/39/37/49/1123393749.db2.gz GBDOKLWYGKRQPZ-UHFFFAOYSA-N 0 1 276.380 3.604 20 0 CHADMN CN(CC=C(Cl)Cl)C1CCC(F)(F)CC1 ZINC000852052861 1123394622 /nfs/dbraw/zinc/39/46/22/1123394622.db2.gz UZWYZAVAHPZOBS-UHFFFAOYSA-N 0 1 258.139 3.815 20 0 CHADMN C[C@@]1(F)CCCN(CCc2nsc3ccccc32)C1 ZINC000852095536 1123397431 /nfs/dbraw/zinc/39/74/31/1123397431.db2.gz ANXLADKUPAQVGA-OAHLLOKOSA-N 0 1 278.396 3.663 20 0 CHADMN C[C@@H]1CN(Cc2cccc(F)n2)CCc2ccc(F)cc21 ZINC000852215951 1123400341 /nfs/dbraw/zinc/40/03/41/1123400341.db2.gz WCLSLWHGOKTKMF-GFCCVEGCSA-N 0 1 288.341 3.522 20 0 CHADMN O=C([O-])C[N@@H+](Cc1cccc(C2CCCC2)c1)C1CCC1 ZINC000665331606 1123402971 /nfs/dbraw/zinc/40/29/71/1123402971.db2.gz WOAQBRBVPHEIKN-UHFFFAOYSA-N 0 1 287.403 3.783 20 0 CHADMN O=C(CCN1CC2(CCCC2)[C@@H]1c1ccco1)C1CC1 ZINC000852427299 1123405127 /nfs/dbraw/zinc/40/51/27/1123405127.db2.gz VYXYHAFARBSDTP-INIZCTEOSA-N 0 1 273.376 3.566 20 0 CHADMN O=C(CCN1CC2(CCCC2)[C@H]1c1ccco1)C1CC1 ZINC000852427300 1123405718 /nfs/dbraw/zinc/40/57/18/1123405718.db2.gz VYXYHAFARBSDTP-MRXNPFEDSA-N 0 1 273.376 3.566 20 0 CHADMN CC1(c2cc(=O)n(Cc3ccc(Cl)cc3Cl)[nH]2)CC1 ZINC000634591730 1129119695 /nfs/dbraw/zinc/11/96/95/1129119695.db2.gz LTOIOXMCOPNCPJ-UHFFFAOYSA-N 0 1 297.185 3.882 20 0 CHADMN Clc1ncccc1CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000852594937 1123409753 /nfs/dbraw/zinc/40/97/53/1123409753.db2.gz FARXGONPRYASLI-ZFWWWQNUSA-N 0 1 294.826 3.516 20 0 CHADMN ClC(Cl)=CCN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000852595608 1123410137 /nfs/dbraw/zinc/41/01/37/1123410137.db2.gz IQFNEFCXUAPBJD-VXGBXAGGSA-N 0 1 278.223 3.587 20 0 CHADMN C[C@H]1CC[C@H](C[NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000328156907 1123410185 /nfs/dbraw/zinc/41/01/85/1123410185.db2.gz UKOQCXJNXUDQHJ-QWRGUYRKSA-N 0 1 253.773 3.571 20 0 CHADMN Clc1nc(CN2CC[C@@H]3C[C@@H]3C2)cc2ccccc21 ZINC000852635128 1123410736 /nfs/dbraw/zinc/41/07/36/1123410736.db2.gz KYUIMGHBEFVWQT-DGCLKSJQSA-N 0 1 272.779 3.730 20 0 CHADMN C[C@H]1CC[C@@H](NCc2ccc(F)cn2)c2ccccc21 ZINC000335715134 1123414607 /nfs/dbraw/zinc/41/46/07/1123414607.db2.gz PPWCACDHRFGQQW-YVEFUNNKSA-N 0 1 270.351 3.949 20 0 CHADMN Cc1ccc(N2CCN([C@H](C)c3ccccn3)CC2)c(C)c1 ZINC000852745783 1123414696 /nfs/dbraw/zinc/41/46/96/1123414696.db2.gz ZMISGNLJZBVCRF-QGZVFWFLSA-N 0 1 295.430 3.582 20 0 CHADMN CSc1ccc(N2N=C3CCCCC[C@H]3C2=O)cc1 ZINC000634593874 1129120137 /nfs/dbraw/zinc/12/01/37/1129120137.db2.gz CJLSTIVDASHPGN-CYBMUJFWSA-N 0 1 274.389 3.691 20 0 CHADMN CSc1ccc(-n2[nH]c3c(c2=O)CCCCC3)cc1 ZINC000634593874 1129120141 /nfs/dbraw/zinc/12/01/41/1129120141.db2.gz CJLSTIVDASHPGN-CYBMUJFWSA-N 0 1 274.389 3.691 20 0 CHADMN Cc1[nH]c(SCCOC(F)F)nc1Cc1ccccc1 ZINC000853011209 1123419308 /nfs/dbraw/zinc/41/93/08/1123419308.db2.gz CMOKKEIRIPPVHH-UHFFFAOYSA-N 0 1 298.358 3.640 20 0 CHADMN CCNc1cc(C)ccc1NC(=O)c1c(O)cccc1F ZINC000191342313 1123421712 /nfs/dbraw/zinc/42/17/12/1123421712.db2.gz LSNZSWDVAWJRDN-UHFFFAOYSA-N 0 1 288.322 3.524 20 0 CHADMN CC1(C)C[C@@H](NCc2cc[nH]c2)c2ccc(F)cc2O1 ZINC000335748300 1123422554 /nfs/dbraw/zinc/42/25/54/1123422554.db2.gz JMLJIYOOUUVTEW-CQSZACIVSA-N 0 1 274.339 3.546 20 0 CHADMN CCCn1cc(CN2CCCCC[C@@H]2c2ccncc2)cn1 ZINC000157017572 1129120728 /nfs/dbraw/zinc/12/07/28/1129120728.db2.gz CNLHTMJJVYTAAK-GOSISDBHSA-N 0 1 298.434 3.805 20 0 CHADMN CCC[C@@H](CC1CCCCC1)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853220735 1123428019 /nfs/dbraw/zinc/42/80/19/1123428019.db2.gz PDFBQCNEESAHBL-OCCSQVGLSA-N 0 1 293.411 3.796 20 0 CHADMN CN(Cc1nc(Cc2ccccc2)no1)C1CCCCCC1 ZINC000051284528 1123428239 /nfs/dbraw/zinc/42/82/39/1123428239.db2.gz MJSDZFOIPXFPCS-UHFFFAOYSA-N 0 1 299.418 3.815 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@H](C)c1ccc2c(c1)CCCO2 ZINC000853239417 1123429259 /nfs/dbraw/zinc/42/92/59/1123429259.db2.gz ASCLJBUHRKEOKW-OCCSQVGLSA-N 0 1 297.402 3.522 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1cncs1 ZINC000853243234 1123430236 /nfs/dbraw/zinc/43/02/36/1123430236.db2.gz ZPJRLIXKRBPVSH-RYUDHWBXSA-N 0 1 288.416 3.880 20 0 CHADMN CCCc1cccc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1 ZINC000665351153 1123432802 /nfs/dbraw/zinc/43/28/02/1123432802.db2.gz SGLCLEJKPHLSLA-UHFFFAOYSA-N 0 1 277.408 3.572 20 0 CHADMN C[C@@H](C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1cccc(Cl)c1 ZINC000665351023 1123433480 /nfs/dbraw/zinc/43/34/80/1123433480.db2.gz NLLIUGOFCZISPT-LBPRGKRZSA-N 0 1 297.826 3.876 20 0 CHADMN CCSc1cccc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1 ZINC000665351192 1123433588 /nfs/dbraw/zinc/43/35/88/1123433588.db2.gz UROLRXDGPPJOEL-UHFFFAOYSA-N 0 1 295.448 3.731 20 0 CHADMN CC(C)(C)C[N@H+](CC(=O)[O-])C[C@H]1CCCC(C)(C)C1 ZINC000665350581 1123435261 /nfs/dbraw/zinc/43/52/61/1123435261.db2.gz ZPSKQWGHIMAEER-ZDUSSCGKSA-N 0 1 269.429 3.636 20 0 CHADMN Cc1cc2ccccc2nc1N1N=C2CCCCC[C@@H]2C1=O ZINC000634615681 1129121478 /nfs/dbraw/zinc/12/14/78/1129121478.db2.gz OFTYMQACSKNJOE-AWEZNQCLSA-N 0 1 293.370 3.826 20 0 CHADMN CC(C)c1cc(=O)n(-c2cc(C(F)(F)F)ccc2F)[nH]1 ZINC000634615632 1129121499 /nfs/dbraw/zinc/12/14/99/1129121499.db2.gz MWPZDLARYFFLMT-UHFFFAOYSA-N 0 1 288.244 3.593 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1nc(C)sc1C ZINC000443586071 1123437209 /nfs/dbraw/zinc/43/72/09/1123437209.db2.gz TUHKOLXFPGPZLT-JTQLQIEISA-N 0 1 272.483 3.723 20 0 CHADMN CC(C)(C)[C@@H]1CCCN1Cc1nc(C2CCCC2)no1 ZINC000443602605 1123441771 /nfs/dbraw/zinc/44/17/71/1123441771.db2.gz ILIJMFDGKVOKQW-ZDUSSCGKSA-N 0 1 277.412 3.738 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+](C)Cc1ccccc1Cl ZINC000051361530 1123446956 /nfs/dbraw/zinc/44/69/56/1123446956.db2.gz HMMFGMJKAZCTMF-UHFFFAOYSA-N 0 1 293.750 3.572 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)Cc1ccccc1Cl ZINC000051361530 1123446959 /nfs/dbraw/zinc/44/69/59/1123446959.db2.gz HMMFGMJKAZCTMF-UHFFFAOYSA-N 0 1 293.750 3.572 20 0 CHADMN CCC[C@H](C)N(C)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000443621521 1123448443 /nfs/dbraw/zinc/44/84/43/1123448443.db2.gz GVIPFIYLSOLGBW-LBPRGKRZSA-N 0 1 293.361 3.771 20 0 CHADMN Cc1c(Cl)ccc(CN(C)Cc2cnc[nH]2)c1Cl ZINC000895301290 1123449712 /nfs/dbraw/zinc/44/97/12/1123449712.db2.gz BOUSCKWLODGJQC-UHFFFAOYSA-N 0 1 284.190 3.657 20 0 CHADMN CO[C@@H]1CCN([C@@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000443629215 1123450622 /nfs/dbraw/zinc/45/06/22/1123450622.db2.gz NUUQZMZZSRUGCR-QMTHXVAHSA-N 0 1 286.202 3.701 20 0 CHADMN Cc1cc(Cl)cc(-c2noc([C@@H]3C[C@H](C)CCN3)n2)c1 ZINC001211880267 1123465249 /nfs/dbraw/zinc/46/52/49/1123465249.db2.gz AMFNZKAEDWVWMH-RNCFNFMXSA-N 0 1 291.782 3.759 20 0 CHADMN Cc1cccc2nc(CN(C)[C@@H]3CCc4ccccc43)cn21 ZINC000051650300 1123466428 /nfs/dbraw/zinc/46/64/28/1123466428.db2.gz XMDZDBXFKYPYOU-GOSISDBHSA-N 0 1 291.398 3.762 20 0 CHADMN Cc1cc(Br)cc(C)c1CNCc1ccoc1 ZINC000727469858 1123466581 /nfs/dbraw/zinc/46/65/81/1123466581.db2.gz KRQFSWGQDXSDFO-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN CC(C)Cc1ccc(CN[C@H]2C[C@H](O)c3ccccc32)cn1 ZINC000895369344 1123470471 /nfs/dbraw/zinc/47/04/71/1123470471.db2.gz QDDGMNAVZHFGLL-OALUTQOASA-N 0 1 296.414 3.548 20 0 CHADMN C[C@@H](OC(=O)C(C)(C)C)c1nc2ccc(Cl)cc2[nH]1 ZINC000111989679 1123472712 /nfs/dbraw/zinc/47/27/12/1123472712.db2.gz QIASKROQFGSUKZ-MRVPVSSYSA-N 0 1 280.755 3.867 20 0 CHADMN CCOC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000113937928 1123477083 /nfs/dbraw/zinc/47/70/83/1123477083.db2.gz OFPLMTKZZMFMPT-ZDUSSCGKSA-N 0 1 297.826 3.597 20 0 CHADMN CCOC[C@H]1CCCN(Cc2cc(Cl)ccc2OC)C1 ZINC000113937928 1123477085 /nfs/dbraw/zinc/47/70/85/1123477085.db2.gz OFPLMTKZZMFMPT-ZDUSSCGKSA-N 0 1 297.826 3.597 20 0 CHADMN CC(C)c1c[nH]c(CN2CCC3(CCSCC3)CC2)n1 ZINC000895438655 1123479846 /nfs/dbraw/zinc/47/98/46/1123479846.db2.gz JKOOAXCWKHPITE-UHFFFAOYSA-N 0 1 293.480 3.642 20 0 CHADMN CCn1cc(CN[C@]2(c3ccccc3)CC2(C)C)c(C)n1 ZINC000895482726 1123485894 /nfs/dbraw/zinc/48/58/94/1123485894.db2.gz VLMGJCWIBYHYHS-SFHVURJKSA-N 0 1 283.419 3.626 20 0 CHADMN Cc1ccccc1NC(=O)CN1CCC[C@]2(CC=CCC2)C1 ZINC000114494072 1123489389 /nfs/dbraw/zinc/48/93/89/1123489389.db2.gz FQIZTSBUHLIHLU-LJQANCHMSA-N 0 1 298.430 3.756 20 0 CHADMN COc1ccc(CNCc2ccccc2CC(C)C)nc1 ZINC000895546314 1123491033 /nfs/dbraw/zinc/49/10/33/1123491033.db2.gz VADFJMMDZADWNR-UHFFFAOYSA-N 0 1 284.403 3.579 20 0 CHADMN FC[C@H]1CCCN(Cc2cnc(-c3ccco3)s2)C1 ZINC000895545359 1123491443 /nfs/dbraw/zinc/49/14/43/1123491443.db2.gz SUSNFKLWNGIEBS-LLVKDONJSA-N 0 1 280.368 3.585 20 0 CHADMN CC(C)[C@@H]1CCCN([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000114730092 1123507120 /nfs/dbraw/zinc/50/71/20/1123507120.db2.gz HRBZBVSYZIQOTA-QWHCGFSZSA-N 0 1 277.412 3.766 20 0 CHADMN Cc1cc([C@H](C)[N@H+](C)C[C@H](C)C(C)(C)C)oc1C(=O)[O-] ZINC000634697355 1129126107 /nfs/dbraw/zinc/12/61/07/1129126107.db2.gz HKYGVOGMVAGXEC-RYUDHWBXSA-N 0 1 281.396 3.961 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)s1 ZINC000634697872 1129126182 /nfs/dbraw/zinc/12/61/82/1129126182.db2.gz UWKQJKBZJXKZKS-CYBMUJFWSA-N 0 1 293.432 3.849 20 0 CHADMN c1nc2ccc(CNc3cncc4ccccc43)cc2[nH]1 ZINC000536163598 1123514707 /nfs/dbraw/zinc/51/47/07/1123514707.db2.gz URCIBHPREKLJBA-UHFFFAOYSA-N 0 1 274.327 3.723 20 0 CHADMN COCc1cccc(-c2nc3ccc(F)cc3[nH]2)c1 ZINC000261367544 1123515054 /nfs/dbraw/zinc/51/50/54/1123515054.db2.gz WCVGBYKIDZJCOC-UHFFFAOYSA-N 0 1 256.280 3.515 20 0 CHADMN C[C@H]1C[C@@H](CF)[N@@H+](Cc2coc3ccc(F)cc23)C1 ZINC001141846821 1123522560 /nfs/dbraw/zinc/52/25/60/1123522560.db2.gz MYJBXYAHZYVREM-GWCFXTLKSA-N 0 1 265.303 3.752 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2coc3ccc(F)cc23)C1 ZINC001141846821 1123522562 /nfs/dbraw/zinc/52/25/62/1123522562.db2.gz MYJBXYAHZYVREM-GWCFXTLKSA-N 0 1 265.303 3.752 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1ccc2[nH]ccc2c1 ZINC000113415609 1123523623 /nfs/dbraw/zinc/52/36/23/1123523623.db2.gz RWQXWZFTCVYCFW-UHFFFAOYSA-N 0 1 287.407 3.619 20 0 CHADMN Cc1nccnc1CN[C@H]1CCc2cccc3cccc1c32 ZINC000895937504 1123533093 /nfs/dbraw/zinc/53/30/93/1123533093.db2.gz XQMQHLLTTRZMHC-KRWDZBQOSA-N 0 1 289.382 3.715 20 0 CHADMN CCC[C@@H](C)CCNCc1nnc(C(C)C)s1 ZINC000895998159 1123539654 /nfs/dbraw/zinc/53/96/54/1123539654.db2.gz UOJNATJHUCQSRF-LLVKDONJSA-N 0 1 255.431 3.577 20 0 CHADMN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNCc1csc(C(F)(F)F)n1 ZINC000896049396 1123544801 /nfs/dbraw/zinc/54/48/01/1123544801.db2.gz ZAQHNNBQCDCMSD-IFFSRLJSSA-N 0 1 290.354 3.544 20 0 CHADMN COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2C)o1 ZINC000338985929 1123545267 /nfs/dbraw/zinc/54/52/67/1123545267.db2.gz NDTDYSORIPZDPK-MRXNPFEDSA-N 0 1 299.370 3.712 20 0 CHADMN CC(C)(C)N1CC(Oc2cccc3ccc(Cl)nc32)C1 ZINC001227113749 1123556827 /nfs/dbraw/zinc/55/68/27/1123556827.db2.gz VULLYDVTKJXHIR-UHFFFAOYSA-N 0 1 290.794 3.750 20 0 CHADMN COc1ccc(C)cc1CNCc1cc(C)oc1C ZINC000114505121 1123564360 /nfs/dbraw/zinc/56/43/60/1123564360.db2.gz AZYHURSRIKZGFC-UHFFFAOYSA-N 0 1 259.349 3.503 20 0 CHADMN Cc1cc(CNCc2ccc(OC(F)F)cc2)c(C)o1 ZINC000114505298 1123564580 /nfs/dbraw/zinc/56/45/80/1123564580.db2.gz ZHKUMECTUJKDPA-UHFFFAOYSA-N 0 1 281.302 3.788 20 0 CHADMN Cc1cc(CNCc2ccc(Cl)s2)c(C)o1 ZINC000114504753 1123564854 /nfs/dbraw/zinc/56/48/54/1123564854.db2.gz HEOVVFMBUQMXLQ-UHFFFAOYSA-N 0 1 255.770 3.901 20 0 CHADMN Cc1cc(CN[C@@H]2C[C@@H](C)Oc3ccccc32)cc(C)n1 ZINC001202496003 1123565087 /nfs/dbraw/zinc/56/50/87/1123565087.db2.gz UEVZSAHCEHNKED-RHSMWYFYSA-N 0 1 282.387 3.700 20 0 CHADMN [O-]c1cccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)c1Cl ZINC000856804254 1123568828 /nfs/dbraw/zinc/56/88/28/1123568828.db2.gz BEHUURIXHHTHSC-VIFPVBQESA-N 0 1 294.609 3.719 20 0 CHADMN C[C@H](CN1CCO[C@H](c2cccs2)C1)c1ccccc1 ZINC000157592698 1129130260 /nfs/dbraw/zinc/13/02/60/1129130260.db2.gz UGOYTQLZFVWFGT-ZBFHGGJFSA-N 0 1 287.428 3.925 20 0 CHADMN Fc1ccc([C@H](NCC2CCCCC2)c2cnccn2)cc1 ZINC000544367637 1123573051 /nfs/dbraw/zinc/57/30/51/1123573051.db2.gz FZGYDZUTRDEQKV-SFHVURJKSA-N 0 1 299.393 3.875 20 0 CHADMN Fc1ccc([C@H](NC2CCCC2)c2cccnc2)c(F)c1 ZINC000544367682 1123573657 /nfs/dbraw/zinc/57/36/57/1123573657.db2.gz HNXUWLSUYBVRDE-QGZVFWFLSA-N 0 1 288.341 3.981 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2ccc(Cl)nc2)c1 ZINC000080914699 1129130525 /nfs/dbraw/zinc/13/05/25/1129130525.db2.gz AOPKVXMPXNLKFO-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CCc1cccc(F)c1CNCc1nc2ccc(C)cc2[nH]1 ZINC000474809547 1123590101 /nfs/dbraw/zinc/59/01/01/1123590101.db2.gz OPTQNYNWLZBHQC-UHFFFAOYSA-N 0 1 297.377 3.863 20 0 CHADMN C[C@H](C[N@@H+](C)CCc1ccccc1C(=O)[O-])C(C)(C)C ZINC000312454146 1123596745 /nfs/dbraw/zinc/59/67/45/1123596745.db2.gz CVKDTGYKRWXSFS-CYBMUJFWSA-N 0 1 277.408 3.541 20 0 CHADMN COc1ccc(C[N@@H+](C)Cc2ccoc2C)cc1Cl ZINC000179257500 1123600497 /nfs/dbraw/zinc/60/04/97/1123600497.db2.gz KZCLYVLKNJTBJR-UHFFFAOYSA-N 0 1 279.767 3.882 20 0 CHADMN CCc1ccc(CN2Cc3ccccc3C[C@H]2C)nc1 ZINC000339005773 1123615595 /nfs/dbraw/zinc/61/55/95/1123615595.db2.gz XZXCVUJQBJERAZ-CQSZACIVSA-N 0 1 266.388 3.591 20 0 CHADMN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000474966241 1123618847 /nfs/dbraw/zinc/61/88/47/1123618847.db2.gz MPXADOXEVKHJLJ-HZSPNIEDSA-N 0 1 297.402 3.583 20 0 CHADMN Clc1csc(CN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000194346840 1129133851 /nfs/dbraw/zinc/13/38/51/1129133851.db2.gz WIFCWSXCWUVMLI-JTQLQIEISA-N 0 1 281.812 3.504 20 0 CHADMN CSc1cc(C)ccc1CN[C@@H]1CCCc2c[nH]nc21 ZINC000857856165 1123621799 /nfs/dbraw/zinc/62/17/99/1123621799.db2.gz GJZCZHFXSDJTAY-CQSZACIVSA-N 0 1 287.432 3.607 20 0 CHADMN C[C@H](N[C@@H]1CCCc2cn[nH]c21)c1c(F)cccc1Cl ZINC000857857177 1123621983 /nfs/dbraw/zinc/62/19/83/1123621983.db2.gz BCGXYZYVUKJACG-TVQRCGJNSA-N 0 1 293.773 3.930 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@@H]1CCCc2c[nH]nc21 ZINC000857848381 1123622293 /nfs/dbraw/zinc/62/22/93/1123622293.db2.gz IKJNPOIAKQPRFT-HUUCEWRRSA-N 0 1 299.418 3.992 20 0 CHADMN Fc1cc(Cl)cc(N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000857862344 1123623135 /nfs/dbraw/zinc/62/31/35/1123623135.db2.gz BPKNTFGYWCVNOS-GFCCVEGCSA-N 0 1 265.719 3.692 20 0 CHADMN CCOc1cc(N[C@H]2CCCc3cn[nH]c32)ccc1C ZINC000857864150 1123623243 /nfs/dbraw/zinc/62/32/43/1123623243.db2.gz ZWLZBEIEYKETSW-AWEZNQCLSA-N 0 1 271.364 3.606 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(F)cc2C)o1 ZINC000896803877 1123625997 /nfs/dbraw/zinc/62/59/97/1123625997.db2.gz LACHBMWYGZJQIT-NSHDSACASA-N 0 1 263.312 3.587 20 0 CHADMN Cc1ccc(CN2CC3(CCCC3)OC(C)(C)C2)o1 ZINC000443791590 1123631789 /nfs/dbraw/zinc/63/17/89/1123631789.db2.gz RJAMMJFYUZNMOJ-UHFFFAOYSA-N 0 1 263.381 3.512 20 0 CHADMN CCCOc1ccc([C@@H](C)NCc2ccnc(F)c2)cc1 ZINC000858116029 1123632597 /nfs/dbraw/zinc/63/25/97/1123632597.db2.gz IHOOUDJTYSJABC-CYBMUJFWSA-N 0 1 288.366 3.860 20 0 CHADMN Cc1ccc(CN[C@H]2C[C@@H](C(C)C)c3ccccc32)nn1 ZINC000858275345 1123641621 /nfs/dbraw/zinc/64/16/21/1123641621.db2.gz GGGKOKZWHBGMPY-ROUUACIJSA-N 0 1 281.403 3.759 20 0 CHADMN CC[C@]1(C)CN(Cc2cc(C)c3ncccc3c2)CCO1 ZINC000443853843 1123643621 /nfs/dbraw/zinc/64/36/21/1123643621.db2.gz NVIYFFPXQYJHNN-GOSISDBHSA-N 0 1 284.403 3.544 20 0 CHADMN COc1cncc(CN[C@@H]2CCc3ccc(Cl)cc32)c1 ZINC000858321160 1123645229 /nfs/dbraw/zinc/64/52/29/1123645229.db2.gz UPUAGYSVNWDGJU-MRXNPFEDSA-N 0 1 288.778 3.521 20 0 CHADMN CC(C)n1cc(CN[C@H]2CCc3ccc(Cl)cc32)cn1 ZINC000858321360 1123645279 /nfs/dbraw/zinc/64/52/79/1123645279.db2.gz ZTPOAEUKJNRCAI-INIZCTEOSA-N 0 1 289.810 3.895 20 0 CHADMN C[C@@H](COc1ccccc1)N[C@H]1CCCc2scnc21 ZINC000858358080 1123647804 /nfs/dbraw/zinc/64/78/04/1123647804.db2.gz MEWODJXQLSTNAX-JSGCOSHPSA-N 0 1 288.416 3.578 20 0 CHADMN Cc1noc([C@H](C)NC2CCC3(CCCC3)CC2)n1 ZINC000329738107 1123651478 /nfs/dbraw/zinc/65/14/78/1123651478.db2.gz UBSWUAHUCQXJTE-NSHDSACASA-N 0 1 263.385 3.532 20 0 CHADMN Cc1cc(CN2CC3(CCC3(F)F)C2)c(C)s1 ZINC000335908157 1123651599 /nfs/dbraw/zinc/65/15/99/1123651599.db2.gz LWYWMAODNXEVBZ-UHFFFAOYSA-N 0 1 257.349 3.596 20 0 CHADMN C[C@H](Oc1nc2ccc(Cl)cc2[nH]1)c1nccs1 ZINC001227266932 1123660242 /nfs/dbraw/zinc/66/02/42/1123660242.db2.gz UUSQMAOPSRSYRX-ZETCQYMHSA-N 0 1 279.752 3.813 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccns1)c1ccc(F)cc1N(C)C ZINC000858575812 1123664055 /nfs/dbraw/zinc/66/40/55/1123664055.db2.gz FPOGTPMTJMMUJX-MNOVXSKESA-N 0 1 293.411 3.760 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCc3ccc(Cl)cc32)n(C)n1 ZINC000858582159 1123665599 /nfs/dbraw/zinc/66/55/99/1123665599.db2.gz NITWBZBDGIPNFV-ABAIWWIYSA-N 0 1 289.810 3.720 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2N[C@H](C)c1ccns1 ZINC000858578698 1123665733 /nfs/dbraw/zinc/66/57/33/1123665733.db2.gz QTOJZSJCLMONNF-BXUZGUMPSA-N 0 1 258.390 3.790 20 0 CHADMN CCc1cnc(C[N@H+]2CC[C@H](C)C[C@H](C)C2)s1 ZINC000346184774 1123668567 /nfs/dbraw/zinc/66/85/67/1123668567.db2.gz XPAKMEUWUABFRS-RYUDHWBXSA-N 0 1 252.427 3.574 20 0 CHADMN CCc1cnc(C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)s1 ZINC000346184776 1123668695 /nfs/dbraw/zinc/66/86/95/1123668695.db2.gz XPAKMEUWUABFRS-VXGBXAGGSA-N 0 1 252.427 3.574 20 0 CHADMN CC(=O)[C@@H]1CCCN(Cc2cc(C)cc(C)c2Cl)C1 ZINC001237700407 1129138190 /nfs/dbraw/zinc/13/81/90/1129138190.db2.gz CTRNWQLBOZZZEP-CQSZACIVSA-N 0 1 279.811 3.758 20 0 CHADMN CCCOC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000858928032 1123677029 /nfs/dbraw/zinc/67/70/29/1123677029.db2.gz SHAOFZFXYASCBL-AWEZNQCLSA-N 0 1 287.363 3.555 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2ccc(F)cn2)C1 ZINC000346268074 1123677560 /nfs/dbraw/zinc/67/75/60/1123677560.db2.gz CPCDIISOSSXSBX-HNNXBMFYSA-N 0 1 250.361 3.623 20 0 CHADMN Fc1cc(CN2CCC(c3ccccc3)CC2)ccn1 ZINC000859057861 1123681205 /nfs/dbraw/zinc/68/12/05/1123681205.db2.gz LOPMLXYMVLASBT-UHFFFAOYSA-N 0 1 270.351 3.600 20 0 CHADMN Fc1cc(CN2CCC[C@@H]2c2ccccc2)ccn1 ZINC000859049436 1123681404 /nfs/dbraw/zinc/68/14/04/1123681404.db2.gz CYNDPBNLJHXJMA-OAHLLOKOSA-N 0 1 256.324 3.558 20 0 CHADMN Fc1cc(CN2CCCCC[C@H]2c2ccncc2)ccn1 ZINC000859074922 1123682447 /nfs/dbraw/zinc/68/24/47/1123682447.db2.gz PEMXXZWUNWKTGX-INIZCTEOSA-N 0 1 285.366 3.733 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2ccnc(F)c2)cc1 ZINC000859076170 1123682729 /nfs/dbraw/zinc/68/27/29/1123682729.db2.gz FPDJNDIPTTZGSV-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN Cc1ccccc1SC[C@H](C)CN(C)Cc1cc[nH]n1 ZINC000859137282 1123685926 /nfs/dbraw/zinc/68/59/26/1123685926.db2.gz DPSQOIBLNULAEV-CYBMUJFWSA-N 0 1 289.448 3.578 20 0 CHADMN Cc1nn(C(C)C)cc1CNCc1cccc(Cl)c1 ZINC000281211352 1123689604 /nfs/dbraw/zinc/68/96/04/1123689604.db2.gz CJDPAUNKQAGRHN-UHFFFAOYSA-N 0 1 277.799 3.716 20 0 CHADMN CC[C@H]1CN([C@@H](C)c2ccc(F)c(F)c2)CCCO1 ZINC000281212828 1123689785 /nfs/dbraw/zinc/68/97/85/1123689785.db2.gz BDLITHPBVZTLGF-AAEUAGOBSA-N 0 1 269.335 3.527 20 0 CHADMN C[C@@]1(c2ccc(F)cc2)CCN(Cc2ccnc(F)c2)C1 ZINC000859290839 1123693796 /nfs/dbraw/zinc/69/37/96/1123693796.db2.gz QAYWEIALEDMFGZ-QGZVFWFLSA-N 0 1 288.341 3.523 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@H]1CCc2cc(F)ccc21 ZINC000281323140 1123697315 /nfs/dbraw/zinc/69/73/15/1123697315.db2.gz KSDRDTHFJMBTPT-KRWDZBQOSA-N 0 1 287.382 3.689 20 0 CHADMN O=C(N[C@@H](Cc1ccccc1)c1cccs1)C(F)(F)F ZINC000116827966 1123700772 /nfs/dbraw/zinc/70/07/72/1123700772.db2.gz VZBXCEKJRIRWSS-NSHDSACASA-N 0 1 299.317 3.710 20 0 CHADMN Cc1cc(CN2CCCC[C@@H]2CCC(C)C)no1 ZINC000158123221 1129139626 /nfs/dbraw/zinc/13/96/26/1129139626.db2.gz ARJFFDHYVSBTOP-OAHLLOKOSA-N 0 1 250.386 3.774 20 0 CHADMN Cc1cccc([C@H](N[C@@H](C)[C@H]2CCCO2)c2ccccn2)c1 ZINC000346630287 1123702217 /nfs/dbraw/zinc/70/22/17/1123702217.db2.gz VEAFMHSOLMLRDY-IPELMVKDSA-N 0 1 296.414 3.637 20 0 CHADMN CC1CC(N[C@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000346626393 1123702412 /nfs/dbraw/zinc/70/24/12/1123702412.db2.gz QNUCMBNRCDVCKJ-KDTYNDQISA-N 0 1 288.341 3.837 20 0 CHADMN FC(F)n1ccc(CN[C@H](c2cccs2)C2CC2)n1 ZINC000346672285 1123705783 /nfs/dbraw/zinc/70/57/83/1123705783.db2.gz NGFXNNHBBUHUGR-LBPRGKRZSA-N 0 1 283.347 3.581 20 0 CHADMN FC(F)n1ccc(CN[C@@H](c2cccs2)C2CC2)n1 ZINC000346672276 1123705893 /nfs/dbraw/zinc/70/58/93/1123705893.db2.gz NGFXNNHBBUHUGR-GFCCVEGCSA-N 0 1 283.347 3.581 20 0 CHADMN CC1=C[C@H](C)C[C@H](C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)C1 ZINC000859811833 1123711141 /nfs/dbraw/zinc/71/11/41/1123711141.db2.gz FENAGOXLASFJOQ-BPUTZDHNSA-N 0 1 293.451 3.802 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000859812528 1123711309 /nfs/dbraw/zinc/71/13/09/1123711309.db2.gz QUFOJIHOPLVXGT-ARFHVFGLSA-N 0 1 293.451 3.802 20 0 CHADMN CN(Cc1ccc(F)c(F)c1)Cc1cccc2c1NCC2 ZINC000346821591 1123716692 /nfs/dbraw/zinc/71/66/92/1123716692.db2.gz BFLZYJIIIVEOPL-UHFFFAOYSA-N 0 1 288.341 3.565 20 0 CHADMN FC(F)(F)c1ncc(CNC/C=C/c2ccccc2)s1 ZINC000443994319 1123718220 /nfs/dbraw/zinc/71/82/20/1123718220.db2.gz OBWNALMUXROMDZ-QPJJXVBHSA-N 0 1 298.333 3.965 20 0 CHADMN CCc1ccc(C2CCN(Cc3cnc(C)cn3)CC2)cc1 ZINC000860026361 1123718366 /nfs/dbraw/zinc/71/83/66/1123718366.db2.gz PZQSJYAUYNJPFJ-UHFFFAOYSA-N 0 1 295.430 3.727 20 0 CHADMN Cc1nc(C(C)C)ccc1CN[C@H](C)c1ccns1 ZINC000860062006 1123720100 /nfs/dbraw/zinc/72/01/00/1123720100.db2.gz QHSDZJPYWMAYIM-GFCCVEGCSA-N 0 1 275.421 3.821 20 0 CHADMN COc1ccncc1CN(Cc1ccccc1)C(C)C ZINC000346887737 1123728220 /nfs/dbraw/zinc/72/82/20/1123728220.db2.gz PXQUGAGRTJULLI-UHFFFAOYSA-N 0 1 270.376 3.501 20 0 CHADMN Fc1cccc(CCN2CCC[C@H]2c2cccnc2)c1F ZINC000346991373 1123740088 /nfs/dbraw/zinc/74/00/88/1123740088.db2.gz IFRPCFAHKZTXAX-INIZCTEOSA-N 0 1 288.341 3.739 20 0 CHADMN CC1(C)CCc2ccccc2[C@@H](NCc2ccno2)C1 ZINC000281724865 1123741378 /nfs/dbraw/zinc/74/13/78/1123741378.db2.gz PJRCEBPOPMQLQL-INIZCTEOSA-N 0 1 270.376 3.868 20 0 CHADMN CCN(C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1)C1CCC1 ZINC000444096673 1123746565 /nfs/dbraw/zinc/74/65/65/1123746565.db2.gz QJCVNLZTRNNNKP-UHFFFAOYSA-N 0 1 297.402 3.708 20 0 CHADMN CCN(c1ccc(N[C@@H](C)c2ccn(C)n2)cc1)C(C)C ZINC000840732694 1123751063 /nfs/dbraw/zinc/75/10/63/1123751063.db2.gz IHNSIAJAXDEJFH-AWEZNQCLSA-N 0 1 286.423 3.828 20 0 CHADMN CC1(C(=O)OCc2cc(C3CC3)[nH]n2)CCC(F)(F)CC1 ZINC000860866127 1123754360 /nfs/dbraw/zinc/75/43/60/1123754360.db2.gz WWKNUQFIXPRNKL-UHFFFAOYSA-N 0 1 298.333 3.546 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N[C@H]2CCCc3c[nH]nc32)c1 ZINC000336359523 1123765287 /nfs/dbraw/zinc/76/52/87/1123765287.db2.gz IODOZVDYDDXJPT-CJNGLKHVSA-N 0 1 269.392 3.755 20 0 CHADMN COc1cc(C)c(C)cc1CN1CC(C)(C)OC(C)(C)C1 ZINC001238770638 1131243782 /nfs/dbraw/zinc/24/37/82/1131243782.db2.gz QAJPTAVVKNILLC-UHFFFAOYSA-N 0 1 291.435 3.701 20 0 CHADMN CCC[C@H](C)N(C)CC(=O)c1cc(C)n(C2CC2)c1C ZINC000444250628 1123776319 /nfs/dbraw/zinc/77/63/19/1123776319.db2.gz RRCNVOPQLIBKPN-LBPRGKRZSA-N 0 1 276.424 3.743 20 0 CHADMN FC1(CN2CC3(CC=CC3)[C@@H]2c2ccccc2)CC1 ZINC000648074742 1123776998 /nfs/dbraw/zinc/77/69/98/1123776998.db2.gz KFIAOQGFVFSRNI-HNNXBMFYSA-N 0 1 257.352 3.882 20 0 CHADMN Cc1cccc(-c2noc(CN([C@@H](C)C3CC3)C3CC3)n2)c1 ZINC000042123792 1123780456 /nfs/dbraw/zinc/78/04/56/1123780456.db2.gz YRPYMIGUXAZGLI-ZDUSSCGKSA-N 0 1 297.402 3.808 20 0 CHADMN CC(C)c1noc(CN(C)C2CCCCCCC2)n1 ZINC000195412425 1129145098 /nfs/dbraw/zinc/14/50/98/1129145098.db2.gz DNOTWPKPDLHVOY-UHFFFAOYSA-N 0 1 265.401 3.738 20 0 CHADMN CCC1(CC)CCN(Cc2coc(C3CC3)n2)CC1 ZINC000777220528 1123786096 /nfs/dbraw/zinc/78/60/96/1123786096.db2.gz SUGOJWIBFSYMPX-UHFFFAOYSA-N 0 1 262.397 3.954 20 0 CHADMN Cc1c(CN2CCc3ccccc3[C@@H]2C)ccnc1F ZINC000862240576 1123793768 /nfs/dbraw/zinc/79/37/68/1123793768.db2.gz MXJNKJPMDDSEIH-ZDUSSCGKSA-N 0 1 270.351 3.648 20 0 CHADMN CC[C@@](C)(NCc1cnc(C2CC2)o1)c1ccccc1 ZINC000862281282 1123798005 /nfs/dbraw/zinc/79/80/05/1123798005.db2.gz XXQXKCHZQYSZOQ-QGZVFWFLSA-N 0 1 270.376 3.967 20 0 CHADMN Cc1c(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)ccnc1F ZINC000862384129 1123805414 /nfs/dbraw/zinc/80/54/14/1123805414.db2.gz OOYRLLYFKVNTEY-CABZTGNLSA-N 0 1 290.304 3.692 20 0 CHADMN Cc1c(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)ccnc1F ZINC000862384130 1123805795 /nfs/dbraw/zinc/80/57/95/1123805795.db2.gz OOYRLLYFKVNTEY-JOYOIKCWSA-N 0 1 290.304 3.692 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](c2ccccc2)C(C)C)nn1C ZINC000281993109 1123806237 /nfs/dbraw/zinc/80/62/37/1123806237.db2.gz CNLBPQLEYYLVAF-WMLDXEAASA-N 0 1 271.408 3.776 20 0 CHADMN c1cnc2c(c1)CCC[C@@H]2NCc1cccc2c1NCCC2 ZINC000897072559 1123810290 /nfs/dbraw/zinc/81/02/90/1123810290.db2.gz SWKAWBYQUZWLHI-KRWDZBQOSA-N 0 1 293.414 3.607 20 0 CHADMN c1coc(CC2CN(Cc3cncc4ccccc43)C2)c1 ZINC000862487399 1123814429 /nfs/dbraw/zinc/81/44/29/1123814429.db2.gz QLDMCRBUKRQALA-UHFFFAOYSA-N 0 1 278.355 3.502 20 0 CHADMN CCC1CCN(Cc2cc(C)nc(Cl)c2)CC1 ZINC000320543028 1123815446 /nfs/dbraw/zinc/81/54/46/1123815446.db2.gz CIHATZGRIJNWRN-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1F ZINC000475274206 1123829325 /nfs/dbraw/zinc/82/93/25/1123829325.db2.gz BBLNXDOCDHJURY-CMPLNLGQSA-N 0 1 275.289 3.907 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NCc1cc(Cl)cc(Cl)c1 ZINC000237453266 1123831649 /nfs/dbraw/zinc/83/16/49/1123831649.db2.gz YHRKFZUXKHERMG-SECBINFHSA-N 0 1 298.217 3.886 20 0 CHADMN CCc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)o1 ZINC000475285172 1123833689 /nfs/dbraw/zinc/83/36/89/1123833689.db2.gz YFABDKWIXYCESX-CABZTGNLSA-N 0 1 261.287 3.615 20 0 CHADMN C[C@H](NC[C@@H](O)CC1CCCC1)c1c(F)cccc1F ZINC000475312178 1123838440 /nfs/dbraw/zinc/83/84/40/1123838440.db2.gz KMTIBYAPNMKLSH-AAEUAGOBSA-N 0 1 283.362 3.557 20 0 CHADMN CC[C@H]1CC(=O)N(CN(C)[C@@H](c2ccccc2)C(C)C)C1 ZINC000119316129 1123848141 /nfs/dbraw/zinc/84/81/41/1123848141.db2.gz WQKLFEXDPHCNCA-MAUKXSAKSA-N 0 1 288.435 3.532 20 0 CHADMN CCCOc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1C ZINC000863528685 1123874799 /nfs/dbraw/zinc/87/47/99/1123874799.db2.gz BFXRUIGGGPOWGJ-UHFFFAOYSA-N 0 1 299.374 3.637 20 0 CHADMN Cc1cccnc1[C@H](N[C@@H](C)c1cncnc1C)C(C)C ZINC000655716844 1123877397 /nfs/dbraw/zinc/87/73/97/1123877397.db2.gz YPCVEFIQNXTJOI-GOEBONIOSA-N 0 1 284.407 3.536 20 0 CHADMN O=c1nc(C[C@@H]2C[C@H]2c2ccccc2)[nH]c2ccsc21 ZINC000621241736 1129151229 /nfs/dbraw/zinc/15/12/29/1129151229.db2.gz GCWIXKNNUPNANH-RYUDHWBXSA-N 0 1 282.368 3.743 20 0 CHADMN CCN[C@H](C)c1nc(-c2ccc(O[C@@H](C)CC)cc2)no1 ZINC000863661814 1123886311 /nfs/dbraw/zinc/88/63/11/1123886311.db2.gz QIWDMQTWTNXFRC-NWDGAFQWSA-N 0 1 289.379 3.584 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCc2sccc2C1 ZINC000301297073 1123889436 /nfs/dbraw/zinc/88/94/36/1123889436.db2.gz VZJCQLROFNKLMG-UHFFFAOYSA-N 0 1 284.359 3.998 20 0 CHADMN CC[C@@H](NCc1cnc(C)s1)c1ccc(F)cc1F ZINC000119593536 1123890047 /nfs/dbraw/zinc/89/00/47/1123890047.db2.gz QHCNVKHGKQDBQE-CQSZACIVSA-N 0 1 282.359 3.971 20 0 CHADMN CC[C@H](NCc1cnc(C)s1)c1ccc(F)cc1F ZINC000119593385 1123890704 /nfs/dbraw/zinc/89/07/04/1123890704.db2.gz QHCNVKHGKQDBQE-AWEZNQCLSA-N 0 1 282.359 3.971 20 0 CHADMN CCC(CC)(CCO)CNc1ccnc2cc(F)ccc21 ZINC000301447927 1123901487 /nfs/dbraw/zinc/90/14/87/1123901487.db2.gz ZFIVDYHYAWVYSY-UHFFFAOYSA-N 0 1 290.382 3.975 20 0 CHADMN CO[C@@H]1CCCC[C@@H]1Nc1ccnc2cc(F)ccc21 ZINC000301471066 1123902957 /nfs/dbraw/zinc/90/29/57/1123902957.db2.gz SXLOALCMXFBGTJ-GOEBONIOSA-N 0 1 274.339 3.743 20 0 CHADMN CCc1ncc(CN[C@@H]2CCc3c2cccc3F)s1 ZINC000084018431 1129152759 /nfs/dbraw/zinc/15/27/59/1129152759.db2.gz HIQKDZOVZDXVRL-CQSZACIVSA-N 0 1 276.380 3.622 20 0 CHADMN FC(F)(F)c1cnccc1N1CCC2(CC2(F)F)CC1 ZINC000864089130 1123916528 /nfs/dbraw/zinc/91/65/28/1123916528.db2.gz MTMXRAXAKCAUET-UHFFFAOYSA-N 0 1 292.251 3.726 20 0 CHADMN COCCCCCNc1cc(C)nc2ccc(F)cc21 ZINC000301646939 1123920310 /nfs/dbraw/zinc/92/03/10/1123920310.db2.gz DHPPTLWFAZPUKE-UHFFFAOYSA-N 0 1 276.355 3.911 20 0 CHADMN CC(C)CO[C@@H]1CCN(c2ccnc3cc(F)ccc32)C1 ZINC000301664191 1123922466 /nfs/dbraw/zinc/92/24/66/1123922466.db2.gz ZAZRAVXXKYMJIP-CQSZACIVSA-N 0 1 288.366 3.625 20 0 CHADMN CC[C@H]1CN(c2cc(C)nc3ccc(F)cc32)C[C@@H](C)O1 ZINC000301678349 1123923596 /nfs/dbraw/zinc/92/35/96/1123923596.db2.gz QZTCQGXRSIFSOG-OCCSQVGLSA-N 0 1 288.366 3.686 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cccc(C(F)(F)F)c2)nn1 ZINC000396605232 1123923587 /nfs/dbraw/zinc/92/35/87/1123923587.db2.gz OSAGXVJNJISNFP-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN Cc1cc(N[C@H]2CCCSC2)c2cc(F)ccc2n1 ZINC000301682298 1123923699 /nfs/dbraw/zinc/92/36/99/1123923699.db2.gz SIEYXPKOLYMSKQ-LBPRGKRZSA-N 0 1 276.380 3.990 20 0 CHADMN Cc1cc(N[C@@H]2CCC[C@@]2(C)CO)c2cc(F)ccc2n1 ZINC000301687643 1123924069 /nfs/dbraw/zinc/92/40/69/1123924069.db2.gz VFMJXXJNDYCKJW-SJORKVTESA-N 0 1 288.366 3.645 20 0 CHADMN Cc1cccc(CN(C)Cc2ccnc(Cl)c2)c1C ZINC000794648481 1123924454 /nfs/dbraw/zinc/92/44/54/1123924454.db2.gz FZEIAVXSLRBACH-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CCCc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccsc2)s1 ZINC000621247526 1129154257 /nfs/dbraw/zinc/15/42/57/1129154257.db2.gz XNVOLZZTDYCUMP-ZDUSSCGKSA-N 0 1 295.429 3.678 20 0 CHADMN C[C@H]1CC(Nc2ccnc3cc(F)ccc32)C[C@H](C)O1 ZINC000301924357 1123944117 /nfs/dbraw/zinc/94/41/17/1123944117.db2.gz GOZHZFBCCMHLIC-QWRGUYRKSA-N 0 1 274.339 3.742 20 0 CHADMN COc1ccc([C@H](NCc2cccnc2F)C(C)C)cc1 ZINC000794830327 1123962519 /nfs/dbraw/zinc/96/25/19/1123962519.db2.gz WUXWVAPKGWKNCI-MRXNPFEDSA-N 0 1 288.366 3.716 20 0 CHADMN CC(C)Oc1ccc([C@@H](C)NCc2cccnc2F)cc1 ZINC000794831037 1123963284 /nfs/dbraw/zinc/96/32/84/1123963284.db2.gz BLPWDCHUIIJPAR-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN Cc1cccc(NCCCCN(C)c2ccccc2)n1 ZINC000302243387 1123964012 /nfs/dbraw/zinc/96/40/12/1123964012.db2.gz PZCWJHGHVUJAOF-UHFFFAOYSA-N 0 1 269.392 3.719 20 0 CHADMN CC(C)(O)CCNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000302418712 1123968299 /nfs/dbraw/zinc/96/82/99/1123968299.db2.gz JGBHIIANDMNFBX-UHFFFAOYSA-N 0 1 298.308 3.827 20 0 CHADMN Cc1cc(C)cc(OCC[N@H+](C)[C@@H](C)c2ccco2)c1 ZINC000621278874 1129156662 /nfs/dbraw/zinc/15/66/62/1129156662.db2.gz SIDCVDJRLVWOKM-HNNXBMFYSA-N 0 1 273.376 3.968 20 0 CHADMN Cc1cc([C@H](C)NCc2cccnc2F)c(C)s1 ZINC000794837598 1123971690 /nfs/dbraw/zinc/97/16/90/1123971690.db2.gz XZUOIFVPGZNGDI-JTQLQIEISA-N 0 1 264.369 3.750 20 0 CHADMN Fc1cc(CN[C@@H]2CCCc3occc32)cnc1Cl ZINC000865412593 1123982489 /nfs/dbraw/zinc/98/24/89/1123982489.db2.gz QVZAHSGJDOCDMQ-GFCCVEGCSA-N 0 1 280.730 3.634 20 0 CHADMN Cc1ncc(CN(C)c2ccncc2C(F)(F)F)s1 ZINC000865451863 1123985092 /nfs/dbraw/zinc/98/50/92/1123985092.db2.gz DCBMVYRIPUGRLF-UHFFFAOYSA-N 0 1 287.310 3.502 20 0 CHADMN Cc1cnc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000302852900 1123986780 /nfs/dbraw/zinc/98/67/80/1123986780.db2.gz QMYDTTHJZCOGOG-HNNXBMFYSA-N 0 1 287.432 3.528 20 0 CHADMN FC1(F)CC[C@@H](NCc2c(Cl)cncc2Cl)C1 ZINC000865494390 1123989218 /nfs/dbraw/zinc/98/92/18/1123989218.db2.gz XTAUKJWPMNHQBF-SSDOTTSWSA-N 0 1 281.133 3.666 20 0 CHADMN Cc1cc([C@H](NCc2cn(C3CC3)cn2)C2CC2)ccc1F ZINC000865512124 1123990541 /nfs/dbraw/zinc/99/05/41/1123990541.db2.gz LIXPDVPVBJWJCW-GOSISDBHSA-N 0 1 299.393 3.906 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cn[nH]c2)cc1C(C)(C)C ZINC000865512190 1123990857 /nfs/dbraw/zinc/99/08/57/1123990857.db2.gz MMTKLBIPOOYSOC-LBPRGKRZSA-N 0 1 287.407 3.567 20 0 CHADMN Cc1c(Cl)cccc1CN[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000865514949 1123991141 /nfs/dbraw/zinc/99/11/41/1123991141.db2.gz VPTQFDSIHCXNRG-NSHDSACASA-N 0 1 292.814 3.741 20 0 CHADMN Fc1cccc(CNC2CC(F)(F)C2)c1OC(F)(F)F ZINC000865542526 1123993017 /nfs/dbraw/zinc/99/30/17/1123993017.db2.gz BCXIKJSINRSAMQ-UHFFFAOYSA-N 0 1 299.214 3.612 20 0 CHADMN CC(C)=CCCNCc1nccc(C)c1Br ZINC000865543278 1123993156 /nfs/dbraw/zinc/99/31/56/1123993156.db2.gz YNHPLMURFLMMNG-UHFFFAOYSA-N 0 1 283.213 3.598 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2cncc(Cl)c2)c1 ZINC000621274111 1129159612 /nfs/dbraw/zinc/15/96/12/1129159612.db2.gz YLOCXMRHTBZHCL-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN CC(F)(F)CCNCc1c(Cl)cncc1Cl ZINC000865582582 1123997430 /nfs/dbraw/zinc/99/74/30/1123997430.db2.gz KQYUFYZTFSSHQH-UHFFFAOYSA-N 0 1 269.122 3.523 20 0 CHADMN CCn1cc([C@H](C)NCc2cccc(Cl)c2C)cn1 ZINC000865594427 1123998583 /nfs/dbraw/zinc/99/85/83/1123998583.db2.gz PWKCUWWTRKZRFS-LBPRGKRZSA-N 0 1 277.799 3.716 20 0 CHADMN Fc1ccc(CNc2nccn2C2CC2)c(Cl)c1 ZINC000840887674 1123998924 /nfs/dbraw/zinc/99/89/24/1123998924.db2.gz SWGLQZJCKOKZIP-UHFFFAOYSA-N 0 1 265.719 3.623 20 0 CHADMN Clc1cncc(Cl)c1CNC1CC2(CCC2)C1 ZINC000865617243 1123999923 /nfs/dbraw/zinc/99/99/23/1123999923.db2.gz NEGYICVMOCSGJG-UHFFFAOYSA-N 0 1 271.191 3.811 20 0 CHADMN CC1(C)[C@H](CNCc2c(Cl)cncc2Cl)C1(F)F ZINC000865630485 1124000713 /nfs/dbraw/zinc/00/07/13/1124000713.db2.gz CDSGEBVRVBDWNB-JTQLQIEISA-N 0 1 295.160 3.769 20 0 CHADMN C[C@H]1CC[C@@]2(CCN(Cc3cncc(Cl)c3)C2)C1 ZINC000621276315 1129160062 /nfs/dbraw/zinc/16/00/62/1129160062.db2.gz AWMMQVGWJLOZHB-SWLSCSKDSA-N 0 1 264.800 3.747 20 0 CHADMN Cc1cc(CNC2(c3ccccc3F)CCC2)ccn1 ZINC000621312145 1129160244 /nfs/dbraw/zinc/16/02/44/1129160244.db2.gz KRJGRHWKONEKPK-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN Cc1scc(CNCc2cnc(Cl)c(F)c2)c1C ZINC000865679564 1124004931 /nfs/dbraw/zinc/00/49/31/1124004931.db2.gz XLKDIZASRCFBAL-UHFFFAOYSA-N 0 1 284.787 3.842 20 0 CHADMN Fc1ccc(F)c(CN[C@@H]2CCCc3ncccc32)c1 ZINC000631583846 1124013263 /nfs/dbraw/zinc/01/32/63/1124013263.db2.gz YKIDRJHQICHUEV-MRXNPFEDSA-N 0 1 274.314 3.527 20 0 CHADMN Fc1ccc(F)c(CN[C@H]2CCCc3ncccc32)c1 ZINC000631583845 1124013300 /nfs/dbraw/zinc/01/33/00/1124013300.db2.gz YKIDRJHQICHUEV-INIZCTEOSA-N 0 1 274.314 3.527 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccnn2C)ccc1C(F)(F)F ZINC000865837404 1124019215 /nfs/dbraw/zinc/01/92/15/1124019215.db2.gz FGZXMXVFCPCLOM-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN CC(C)c1nc(CN[C@@H]2CCCC[C@@H]2C(C)(C)C)no1 ZINC000108366968 1124026379 /nfs/dbraw/zinc/02/63/79/1124026379.db2.gz WOZOFLBFOIMQEU-QWHCGFSZSA-N 0 1 279.428 3.888 20 0 CHADMN CC1=C(C)CN(Cn2ccc(-c3ccsc3)n2)CC1 ZINC000794880155 1124027387 /nfs/dbraw/zinc/02/73/87/1124027387.db2.gz IQLKMPFAZBOJCO-UHFFFAOYSA-N 0 1 273.405 3.611 20 0 CHADMN CCC[C@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC000120872387 1124029637 /nfs/dbraw/zinc/02/96/37/1124029637.db2.gz OLPNKZWWKNSKDB-JTQLQIEISA-N 0 1 258.818 3.809 20 0 CHADMN Cc1n[nH]cc1CN[C@H](C)c1ccc(C(F)(F)F)s1 ZINC000717940559 1129161960 /nfs/dbraw/zinc/16/19/60/1129161960.db2.gz AFAUZCFYPCITOT-MRVPVSSYSA-N 0 1 289.326 3.649 20 0 CHADMN C[C@H](NCc1cccnc1)c1ccc(Cl)s1 ZINC000035232524 1124039815 /nfs/dbraw/zinc/03/98/15/1124039815.db2.gz AZSYTIVXLBLUOP-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN O=C(Nc1nc(C2CCC2)cs1)c1c(O)cccc1F ZINC000444525688 1124041620 /nfs/dbraw/zinc/04/16/20/1124041620.db2.gz MIXNYWFJOFLVIK-UHFFFAOYSA-N 0 1 292.335 3.508 20 0 CHADMN CCCOc1ccc(CN[C@@H](c2ccccn2)C(C)C)cn1 ZINC000866262986 1124043516 /nfs/dbraw/zinc/04/35/16/1124043516.db2.gz KGFWLCFRDWCIHP-GOSISDBHSA-N 0 1 299.418 3.752 20 0 CHADMN CC(C)N(CCO[C@H]1CCCCO1)Cc1ccccc1F ZINC000444602457 1124044853 /nfs/dbraw/zinc/04/48/53/1124044853.db2.gz JIMHPWKZPLORLS-KRWDZBQOSA-N 0 1 295.398 3.579 20 0 CHADMN CSc1ccccc1[C@@H](N[C@@H]1CCOC1)c1ccccc1 ZINC000866311400 1124050153 /nfs/dbraw/zinc/05/01/53/1124050153.db2.gz ZVQYCCDTFMESHH-QAPCUYQASA-N 0 1 299.439 3.876 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1Cc1nncn1-c1ccccc1 ZINC000444668985 1124052009 /nfs/dbraw/zinc/05/20/09/1124052009.db2.gz VFYPDKNXNBIRIE-NVXWUHKLSA-N 0 1 298.434 3.668 20 0 CHADMN COCC(C)(C)CCCN[C@@H]1c2ccccc2OC[C@H]1F ZINC000866355916 1124056771 /nfs/dbraw/zinc/05/67/71/1124056771.db2.gz GQFZTZIMPPRRSX-GDBMZVCRSA-N 0 1 295.398 3.501 20 0 CHADMN c1cn2c(n1)[C@@H](N[C@@H]1CCc3cccc4cccc1c43)CC2 ZINC000866367276 1124058163 /nfs/dbraw/zinc/05/81/63/1124058163.db2.gz XLYHXABJVAYRDH-SJORKVTESA-N 0 1 289.382 3.758 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2nc(C3CC3)cs2)C1 ZINC000444751422 1124060114 /nfs/dbraw/zinc/06/01/14/1124060114.db2.gz PAANZZSVKKQCGH-ZDUSSCGKSA-N 0 1 264.438 3.889 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000444770059 1124061253 /nfs/dbraw/zinc/06/12/53/1124061253.db2.gz KKLNVBMDJDDYHD-OAHLLOKOSA-N 0 1 285.391 3.605 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000444770058 1124061272 /nfs/dbraw/zinc/06/12/72/1124061272.db2.gz KKLNVBMDJDDYHD-HNNXBMFYSA-N 0 1 285.391 3.605 20 0 CHADMN CC(C)[C@H]1CCCN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000444771409 1124062930 /nfs/dbraw/zinc/06/29/30/1124062930.db2.gz JBCCGQCMANVPPJ-KBPBESRZSA-N 0 1 299.418 3.764 20 0 CHADMN CS[C@H]1C[C@H](N[C@H](C)c2csc(C(C)C)n2)C1 ZINC000866488986 1124072583 /nfs/dbraw/zinc/07/25/83/1124072583.db2.gz ZWDZDBLDUWVPLL-GMTAPVOTSA-N 0 1 270.467 3.811 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCCC[C@@H]2F)c1 ZINC000866448917 1124066050 /nfs/dbraw/zinc/06/60/50/1124066050.db2.gz NWVVQVFSHJOUAU-KNXALSJPSA-N 0 1 278.371 3.576 20 0 CHADMN Cc1cc(CN(C)Cc2ccc3c(c2)OCO3)c(C)s1 ZINC000195673828 1124066337 /nfs/dbraw/zinc/06/63/37/1124066337.db2.gz FYSXOKLVJOZGBL-UHFFFAOYSA-N 0 1 289.400 3.726 20 0 CHADMN CCc1ccccc1NC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000195601336 1124066403 /nfs/dbraw/zinc/06/64/03/1124066403.db2.gz OYALWMJHSQCIQB-UHFFFAOYSA-N 0 1 295.342 3.793 20 0 CHADMN CCCc1ccc(CNCc2cccc(C)n2)s1 ZINC000621329406 1129164238 /nfs/dbraw/zinc/16/42/38/1129164238.db2.gz AVHLQIWWJOXBPN-UHFFFAOYSA-N 0 1 260.406 3.694 20 0 CHADMN CC[C@@H](NCC(CC)(CC)C(F)(F)F)c1nccn1C ZINC000866505422 1124073646 /nfs/dbraw/zinc/07/36/46/1124073646.db2.gz LGYIVHKHVAXPIO-LLVKDONJSA-N 0 1 291.361 3.830 20 0 CHADMN CCC(CC)(CN[C@@H]1C[C@@H](C)n2ccnc21)C(F)(F)F ZINC000866506290 1124074691 /nfs/dbraw/zinc/07/46/91/1124074691.db2.gz HLIARNSIHBDDRT-GHMZBOCLSA-N 0 1 289.345 3.847 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@@H](OCC3CC3)C2)c1 ZINC000428393363 1124076506 /nfs/dbraw/zinc/07/65/06/1124076506.db2.gz XYGZKMRVEITJPQ-MRXNPFEDSA-N 0 1 277.383 3.525 20 0 CHADMN Cc1ccccc1C[C@@H](C)N(C)Cc1cscn1 ZINC000445228979 1124077447 /nfs/dbraw/zinc/07/74/47/1124077447.db2.gz ZUMZPJMCFHHMJU-CYBMUJFWSA-N 0 1 260.406 3.515 20 0 CHADMN Fc1ccc(/C=C/C[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000428395422 1124077581 /nfs/dbraw/zinc/07/75/81/1124077581.db2.gz BLBXGYYCEUTKGG-ZDBPOJEVSA-N 0 1 289.394 3.730 20 0 CHADMN COCCC[C@H](NCc1ccc(C)o1)c1ccc(F)cc1 ZINC000631729363 1124080179 /nfs/dbraw/zinc/08/01/79/1124080179.db2.gz DBNMAKHONKZPLR-KRWDZBQOSA-N 0 1 291.366 3.985 20 0 CHADMN Cc1cccc([C@@H](NCc2nccnc2C)C(C)(C)C)c1 ZINC000621340076 1129165223 /nfs/dbraw/zinc/16/52/23/1129165223.db2.gz VTSDPMFQUNICDD-QGZVFWFLSA-N 0 1 283.419 3.970 20 0 CHADMN Cc1ccc(F)c(-c2noc(CN3[C@H](C)CC[C@H]3C)n2)c1 ZINC000445458864 1124085861 /nfs/dbraw/zinc/08/58/61/1124085861.db2.gz WLNAVEYNUKRWNG-VXGBXAGGSA-N 0 1 289.354 3.557 20 0 CHADMN Cc1[nH]ncc1[C@@H](C)Nc1ccc(C2CC2)cc1F ZINC000866610220 1124087840 /nfs/dbraw/zinc/08/78/40/1124087840.db2.gz XWHBRHVJGMAKPO-SECBINFHSA-N 0 1 259.328 3.908 20 0 CHADMN CCCc1ccc(CN[C@H](CO)c2cccc(F)c2)s1 ZINC000621336435 1129165356 /nfs/dbraw/zinc/16/53/56/1129165356.db2.gz YFUHHAZJOYPKPS-MRXNPFEDSA-N 0 1 293.407 3.663 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1ccc(Cl)nn1 ZINC001142073215 1124087970 /nfs/dbraw/zinc/08/79/70/1124087970.db2.gz HFBKILGKFAPIGZ-AWEZNQCLSA-N 0 1 275.783 3.713 20 0 CHADMN CCSc1ccccc1[C@H](C)N[C@H](C)c1ccnn1C ZINC000866612009 1124088468 /nfs/dbraw/zinc/08/84/68/1124088468.db2.gz AATTXMOOBASEEU-QWHCGFSZSA-N 0 1 289.448 3.944 20 0 CHADMN c1nc2c(s1)CCC[C@@H]2NC1([C@H]2CCCCO2)CCC1 ZINC000866623540 1124091007 /nfs/dbraw/zinc/09/10/07/1124091007.db2.gz RRMFUSIMXJZUKG-GXTWGEPZSA-N 0 1 292.448 3.602 20 0 CHADMN Fc1ccccc1-n1ccc(CN2CCC[C@H]3CCC[C@H]32)n1 ZINC000445811653 1124102076 /nfs/dbraw/zinc/10/20/76/1124102076.db2.gz RSQHXPYZOCBDIP-RHSMWYFYSA-N 0 1 299.393 3.776 20 0 CHADMN Cc1nc(C[N@H+]2CCCC3(CCCC3)C2)sc1C ZINC000445848598 1124105032 /nfs/dbraw/zinc/10/50/32/1124105032.db2.gz XTYUTXXDNLEPMX-UHFFFAOYSA-N 0 1 264.438 3.916 20 0 CHADMN COC(=O)c1sccc1CN1CCCCC(C)(C)C1 ZINC000446076591 1124109235 /nfs/dbraw/zinc/10/92/35/1124109235.db2.gz HGACXGYGOUANDM-UHFFFAOYSA-N 0 1 281.421 3.547 20 0 CHADMN CC1(C)CCCCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000446076282 1124109523 /nfs/dbraw/zinc/10/95/23/1124109523.db2.gz AJUAQOIVTQIXBM-UHFFFAOYSA-N 0 1 285.391 3.749 20 0 CHADMN CCCOc1ccc(C(C)(C)NCc2nccnc2C)cc1 ZINC000621350645 1129166691 /nfs/dbraw/zinc/16/66/91/1129166691.db2.gz OJTNHZICWUGBMA-UHFFFAOYSA-N 0 1 299.418 3.599 20 0 CHADMN CCc1cnc(CN2CC[C@H](c3ccc(Cl)cc3)C2)o1 ZINC000524717639 1124110666 /nfs/dbraw/zinc/11/06/66/1124110666.db2.gz PKDQJWXQJOGKIK-ZDUSSCGKSA-N 0 1 290.794 3.880 20 0 CHADMN COc1ccc(F)c(C[N@H+]2CCCCC[C@@H]2C)c1 ZINC000508560423 1124112280 /nfs/dbraw/zinc/11/22/80/1124112280.db2.gz JZMZICFZYKKJHD-LBPRGKRZSA-N 0 1 251.345 3.599 20 0 CHADMN CCc1cnc(CN2CCC[C@H](Cc3ccccc3)C2)o1 ZINC000525271868 1124119385 /nfs/dbraw/zinc/11/93/85/1124119385.db2.gz JFSXHJHBQUIUPV-MRXNPFEDSA-N 0 1 284.403 3.692 20 0 CHADMN CC[C@H](NCc1cn2ccccc2n1)c1cccc(F)c1 ZINC000446759830 1124122000 /nfs/dbraw/zinc/12/20/00/1124122000.db2.gz HMFDRBJUUNGSCM-INIZCTEOSA-N 0 1 283.350 3.714 20 0 CHADMN C[C@H](CCNCc1ccon1)c1cccc(C(F)(F)F)c1 ZINC000634966335 1129167611 /nfs/dbraw/zinc/16/76/11/1129167611.db2.gz JSTVNQCISKQIAJ-LLVKDONJSA-N 0 1 298.308 3.977 20 0 CHADMN CC[C@@H](c1ccccc1)N(CC)Cc1n[nH]c(C(C)C)n1 ZINC000428458834 1124127562 /nfs/dbraw/zinc/12/75/62/1124127562.db2.gz CPSAWZLJLAEWNH-HNNXBMFYSA-N 0 1 286.423 3.901 20 0 CHADMN CCc1nc(C)c(CN(C)[C@H](C)c2ccccc2)o1 ZINC000428462400 1124129839 /nfs/dbraw/zinc/12/98/39/1124129839.db2.gz SYZSEDCYCLFCIS-CYBMUJFWSA-N 0 1 258.365 3.738 20 0 CHADMN CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1cccc2[nH]ccc21 ZINC000447074817 1124132491 /nfs/dbraw/zinc/13/24/91/1124132491.db2.gz HUMWRDXMBDIKBZ-UHFFFAOYSA-N 0 1 296.418 3.821 20 0 CHADMN CCc1nnc(SCc2ccc(C3CCC3)cc2)[nH]1 ZINC000447112500 1124132810 /nfs/dbraw/zinc/13/28/10/1124132810.db2.gz VTZBUFSVTKOXFQ-UHFFFAOYSA-N 0 1 273.405 3.927 20 0 CHADMN CCc1n[nH]c(SCc2ccc(C3CCC3)cc2)n1 ZINC000447112500 1124132812 /nfs/dbraw/zinc/13/28/12/1124132812.db2.gz VTZBUFSVTKOXFQ-UHFFFAOYSA-N 0 1 273.405 3.927 20 0 CHADMN CC(C)(CNCc1ccon1)c1ccc(C(F)(F)F)cc1 ZINC000634977935 1129168587 /nfs/dbraw/zinc/16/85/87/1129168587.db2.gz OVABZJHIFDGZJM-UHFFFAOYSA-N 0 1 298.308 3.761 20 0 CHADMN CC(C)CN(Cc1ccno1)Cc1cccc(Cl)c1 ZINC000621386972 1129171015 /nfs/dbraw/zinc/17/10/15/1129171015.db2.gz SMMYDNMVEVFABB-UHFFFAOYSA-N 0 1 278.783 3.986 20 0 CHADMN FC(F)(F)c1ccc(C2(NCc3c[nH]cn3)CCC2)cc1 ZINC000621351476 1129171571 /nfs/dbraw/zinc/17/15/71/1129171571.db2.gz TWYFAKZAXMEFQR-UHFFFAOYSA-N 0 1 295.308 3.598 20 0 CHADMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000414656081 1129171884 /nfs/dbraw/zinc/17/18/84/1129171884.db2.gz MIIPOAOAKXVMNR-LJQANCHMSA-N 0 1 295.382 3.650 20 0 CHADMN C[C@@H](c1ccccc1)[C@@H](O)C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000621399862 1129173117 /nfs/dbraw/zinc/17/31/17/1129173117.db2.gz NCZCVJALJALHSZ-DOXZYTNZSA-N 0 1 281.399 3.728 20 0 CHADMN COC[C@H]1CCCCN1Cc1cc(F)cc(C)c1Cl ZINC001238777768 1131244422 /nfs/dbraw/zinc/24/44/22/1131244422.db2.gz PVENJSUDUGKYCX-CQSZACIVSA-N 0 1 285.790 3.788 20 0 CHADMN COc1cncc(CNCc2cccc(C(F)F)c2)c1C ZINC001118990686 1131244606 /nfs/dbraw/zinc/24/46/06/1131244606.db2.gz QERIGVFVTAPZFP-UHFFFAOYSA-N 0 1 292.329 3.626 20 0 CHADMN CC(C)OC1(CNCc2nc(-c3ccccc3)c[nH]2)CCC1 ZINC001119246652 1131248193 /nfs/dbraw/zinc/24/81/93/1131248193.db2.gz AVPNDRKQPVBLLH-UHFFFAOYSA-N 0 1 299.418 3.514 20 0 CHADMN CCCc1cc(=O)n(-c2ccc(C)cc2Br)[nH]1 ZINC001245925732 1131248761 /nfs/dbraw/zinc/24/87/61/1131248761.db2.gz WAKQXKPZESBGRP-UHFFFAOYSA-N 0 1 295.180 3.601 20 0 CHADMN CCC(CC)N(C)Cc1cc(OC(C)C)ncc1F ZINC001238800380 1131249814 /nfs/dbraw/zinc/24/98/14/1131249814.db2.gz VSSJBUYLNFCZNB-UHFFFAOYSA-N 0 1 268.376 3.628 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(C3CC3)cc2)nc1 ZINC001238831168 1131251279 /nfs/dbraw/zinc/25/12/79/1131251279.db2.gz HQDXNISTKASMQW-UHFFFAOYSA-N 0 1 252.361 3.688 20 0 CHADMN Clc1cscc1CNCc1cccn1C1CC1 ZINC001119435577 1131254337 /nfs/dbraw/zinc/25/43/37/1131254337.db2.gz PJNZVDUVIGZMCN-UHFFFAOYSA-N 0 1 266.797 3.828 20 0 CHADMN Cc1ccsc1CN=c1nc(-c2ccccc2)[nH]s1 ZINC000525699460 1124456170 /nfs/dbraw/zinc/45/61/70/1124456170.db2.gz BJLRWQMWDMZUIE-UHFFFAOYSA-N 0 1 287.413 3.609 20 0 CHADMN Cc1oncc1CN1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000525835251 1124469682 /nfs/dbraw/zinc/46/96/82/1124469682.db2.gz DMVFHEGITNGMSJ-MEDUHNTESA-N 0 1 274.339 3.705 20 0 CHADMN CC(C)(C)CCN1CCc2c(ncn2-c2ccccc2)C1 ZINC000525863686 1124476577 /nfs/dbraw/zinc/47/65/77/1124476577.db2.gz SDFVEOHNDNTPPG-UHFFFAOYSA-N 0 1 283.419 3.667 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2snnc2C)s1 ZINC001119731553 1131262887 /nfs/dbraw/zinc/26/28/87/1131262887.db2.gz FHBOGBMKPOOHOV-IUCAKERBSA-N 0 1 267.423 3.628 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc2cccc(F)c2o1)c1ccnn1C ZINC000447591198 1124494323 /nfs/dbraw/zinc/49/43/23/1124494323.db2.gz CDNQQBHHGHSWAQ-MNOVXSKESA-N 0 1 287.338 3.717 20 0 CHADMN COCCN(CC[C@@H]1CCC[C@H](C)C1)Cc1cncs1 ZINC000447847196 1124532339 /nfs/dbraw/zinc/53/23/39/1124532339.db2.gz YNRYIUNJSLHQMN-GJZGRUSLSA-N 0 1 296.480 3.808 20 0 CHADMN CC1(C)[C@@H](NCc2cscn2)C[C@H]1c1ccccc1 ZINC000123092846 1124562350 /nfs/dbraw/zinc/56/23/50/1124562350.db2.gz OMDGTRZAJCYENU-GJZGRUSLSA-N 0 1 272.417 3.815 20 0 CHADMN Cc1nnc(CNCCCc2ccc(C(C)C)cc2)s1 ZINC001120024597 1131270376 /nfs/dbraw/zinc/27/03/76/1131270376.db2.gz HXJVYNPODLGZGB-UHFFFAOYSA-N 0 1 289.448 3.692 20 0 CHADMN Clc1ccc(CN=Nc2ccccn2)c(Cl)c1 ZINC000005800758 1124583729 /nfs/dbraw/zinc/58/37/29/1124583729.db2.gz SOPAGLVQXXLAHS-UHFFFAOYSA-N 0 1 266.131 3.834 20 0 CHADMN Cc1nc(CNCCOC2CCCCCC2)sc1C ZINC001120033437 1131271196 /nfs/dbraw/zinc/27/11/96/1131271196.db2.gz OMOQMHCWNNXKDC-UHFFFAOYSA-N 0 1 282.453 3.589 20 0 CHADMN CC[C@H](C)[C@H](C(=O)NOC(C)(C)C)c1ccccc1 ZINC000148966168 1124620486 /nfs/dbraw/zinc/62/04/86/1124620486.db2.gz WETODCBGDAAXFZ-JSGCOSHPSA-N 0 1 263.381 3.663 20 0 CHADMN CCC[C@@H]1CCC[C@H]1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000448980589 1124628547 /nfs/dbraw/zinc/62/85/47/1124628547.db2.gz BIRBAOYLKNWHDF-IUODEOHRSA-N 0 1 298.390 3.627 20 0 CHADMN COc1cc(C)ccc1CN(C)Cc1cccs1 ZINC000449003384 1124631228 /nfs/dbraw/zinc/63/12/28/1124631228.db2.gz QIFGYVNWQZISFC-UHFFFAOYSA-N 0 1 261.390 3.697 20 0 CHADMN CN(Cc1cnc(CCc2ccccc2)s1)C1CC1 ZINC000449011929 1124633002 /nfs/dbraw/zinc/63/30/02/1124633002.db2.gz WNDIOBOETSTGMO-UHFFFAOYSA-N 0 1 272.417 3.523 20 0 CHADMN COc1nccnc1CN(C)[C@H](c1ccccc1C)C(C)C ZINC000449037244 1124638169 /nfs/dbraw/zinc/63/81/69/1124638169.db2.gz XYGMRBNYLRRZGY-KRWDZBQOSA-N 0 1 299.418 3.623 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1ccnn1C1CCCC1 ZINC000449050021 1124641574 /nfs/dbraw/zinc/64/15/74/1124641574.db2.gz SRJLLPUSGPNVCP-CQSZACIVSA-N 0 1 295.496 3.962 20 0 CHADMN c1cc(CNCc2cc3ccccc3[nH]2)n(C2CCCC2)n1 ZINC000449105493 1124647479 /nfs/dbraw/zinc/64/74/79/1124647479.db2.gz IIFMNFOFVIXOAJ-UHFFFAOYSA-N 0 1 294.402 3.769 20 0 CHADMN CC(C)(C)n1cc(CNc2ccc3c(n2)CCCC3)cn1 ZINC000871865905 1124648632 /nfs/dbraw/zinc/64/86/32/1124648632.db2.gz YCWBWZQFBCNDSU-UHFFFAOYSA-N 0 1 284.407 3.524 20 0 CHADMN CCC[C@@](C)(CO)NCc1cc(Cl)sc1Cl ZINC000449140669 1124655750 /nfs/dbraw/zinc/65/57/50/1124655750.db2.gz JSJAZVCHFRVUAU-NSHDSACASA-N 0 1 282.236 3.696 20 0 CHADMN FC(F)(F)c1ncccc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000528393897 1124652673 /nfs/dbraw/zinc/65/26/73/1124652673.db2.gz WFCOEFDAHQSPRL-AAEUAGOBSA-N 0 1 284.325 3.865 20 0 CHADMN COc1ccc(C2(NCc3cc4cccnc4o3)CC2)cc1 ZINC000449126662 1124653244 /nfs/dbraw/zinc/65/32/44/1124653244.db2.gz VBZDHIFCUYMOEV-UHFFFAOYSA-N 0 1 294.354 3.615 20 0 CHADMN FC(F)(F)c1ncccc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000528393909 1124653259 /nfs/dbraw/zinc/65/32/59/1124653259.db2.gz WFCOEFDAHQSPRL-WCQYABFASA-N 0 1 284.325 3.865 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2cccnc2C(F)(F)F)C1 ZINC000528398203 1124653276 /nfs/dbraw/zinc/65/32/76/1124653276.db2.gz YCCZPBKHDKIZRG-QWRGUYRKSA-N 0 1 272.314 3.721 20 0 CHADMN C[C@@H](c1ccccc1)n1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC000871948749 1124654748 /nfs/dbraw/zinc/65/47/48/1124654748.db2.gz BFAJDAMBJPVZLY-JSGCOSHPSA-N 0 1 270.376 3.772 20 0 CHADMN CC1(c2cc(=O)n(-c3cccc4ccccc43)[nH]2)CC1 ZINC000871947213 1124654950 /nfs/dbraw/zinc/65/49/50/1124654950.db2.gz SYKJOKFMUUFCCC-UHFFFAOYSA-N 0 1 264.328 3.733 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](C)Cc2ccoc2)cs1 ZINC000449157285 1124657818 /nfs/dbraw/zinc/65/78/18/1124657818.db2.gz PUEFMZGGXDAVOE-WDEREUQCSA-N 0 1 264.394 3.580 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccccc21)c1cccc(O)c1F ZINC000872019626 1124657817 /nfs/dbraw/zinc/65/78/17/1124657817.db2.gz XQKNNQJTUIMWTC-XHDPSFHLSA-N 0 1 271.335 3.869 20 0 CHADMN C/C(Cl)=C/CN1CCN(C/C=C(/C)Cl)C(C)(C)C1 ZINC000528416473 1124658427 /nfs/dbraw/zinc/65/84/27/1124658427.db2.gz NBBPWUNESXIEMQ-VFWKFLPVSA-N 0 1 291.266 3.668 20 0 CHADMN Cc1cc([C@H](C)NCc2cc(CO)ccc2F)c(C)s1 ZINC000528432139 1124659848 /nfs/dbraw/zinc/65/98/48/1124659848.db2.gz GXFXCBWGRFVDIW-NSHDSACASA-N 0 1 293.407 3.847 20 0 CHADMN C/C(Cl)=C\C[N@H+]1C[C@H](C)N(C/C=C(/C)Cl)C[C@H]1C ZINC000528421699 1124661753 /nfs/dbraw/zinc/66/17/53/1124661753.db2.gz PFHUJGRVZJGXEC-ZEOWTNCOSA-N 0 1 291.266 3.666 20 0 CHADMN C/C(Cl)=C\CN1C[C@H](C)N(C/C=C(/C)Cl)C[C@H]1C ZINC000528421699 1124661756 /nfs/dbraw/zinc/66/17/56/1124661756.db2.gz PFHUJGRVZJGXEC-ZEOWTNCOSA-N 0 1 291.266 3.666 20 0 CHADMN C[C@@H]1CCN(Cc2cccnc2C(F)(F)F)C[C@@H]1C ZINC000528434721 1124665401 /nfs/dbraw/zinc/66/54/01/1124665401.db2.gz XOSWHAXECHHHPD-MNOVXSKESA-N 0 1 272.314 3.578 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(O)ccc2F)c(C)c1 ZINC000872049091 1124665857 /nfs/dbraw/zinc/66/58/57/1124665857.db2.gz PVQHCDMJTVFCNX-GFCCVEGCSA-N 0 1 289.350 3.699 20 0 CHADMN COc1cc(F)c([C@@H](C)NC/C=C(/C)Cl)cc1OC ZINC000528440406 1124667143 /nfs/dbraw/zinc/66/71/43/1124667143.db2.gz ZTVPLQFATAKBBT-HYHWUIIZSA-N 0 1 287.762 3.636 20 0 CHADMN Cc1cc([C@H](NCc2ccncc2F)C2CC2)ccc1F ZINC000449209022 1124669828 /nfs/dbraw/zinc/66/98/28/1124669828.db2.gz FLPUMQZDIUZRBD-QGZVFWFLSA-N 0 1 288.341 3.909 20 0 CHADMN C[C@@H](NCc1cccnc1C(F)(F)F)c1cccc(O)c1 ZINC000528479804 1124671418 /nfs/dbraw/zinc/67/14/18/1124671418.db2.gz XQZSJJVHKHMSLC-SNVBAGLBSA-N 0 1 296.292 3.657 20 0 CHADMN Cc1ccc2sc(CN3CCCC4(CC4)C3)nc2c1 ZINC000528455041 1124671845 /nfs/dbraw/zinc/67/18/45/1124671845.db2.gz BDAWEEAVOLEUNJ-UHFFFAOYSA-N 0 1 272.417 3.981 20 0 CHADMN COCCN(Cc1ncccc1Cl)C[C@@H]1CC=CCC1 ZINC000528470246 1124673771 /nfs/dbraw/zinc/67/37/71/1124673771.db2.gz SDAQRBHHOWKYBV-CQSZACIVSA-N 0 1 294.826 3.540 20 0 CHADMN C/C(Cl)=C/CN1CCC(CC(F)(F)F)CC1 ZINC000528498744 1124676797 /nfs/dbraw/zinc/67/67/97/1124676797.db2.gz YKJRSNFGCXDEIT-MBXJOHMKSA-N 0 1 255.711 3.793 20 0 CHADMN Cc1ccccc1[C@@H](N)C(=O)N(C)c1cccc(C(C)C)c1 ZINC000449258386 1124677819 /nfs/dbraw/zinc/67/78/19/1124677819.db2.gz PHVKPHLOVDUZBA-GOSISDBHSA-N 0 1 296.414 3.781 20 0 CHADMN CO[C@@H]1CCN(Cc2nc3cc(C)ccc3s2)[C@H](C)C1 ZINC000528489184 1124678786 /nfs/dbraw/zinc/67/87/86/1124678786.db2.gz DXLVUQHLXVJRLE-CHWSQXEVSA-N 0 1 290.432 3.604 20 0 CHADMN CC(C)(C)C(F)(F)CN[C@@H]1CCOC2(CCCC2)C1 ZINC000872088760 1124680399 /nfs/dbraw/zinc/68/03/99/1124680399.db2.gz QBWQHLTYZRHFSZ-GFCCVEGCSA-N 0 1 275.383 3.749 20 0 CHADMN Cc1cc([C@@H](C)NCc2cc(CO)ccc2F)ccc1F ZINC000528515393 1124681242 /nfs/dbraw/zinc/68/12/42/1124681242.db2.gz FSXNOXCYVHGNFU-GFCCVEGCSA-N 0 1 291.341 3.616 20 0 CHADMN CC[C@@H](N[C@H](C)c1nc(C(C)(C)C)no1)C1CCC1 ZINC000449275930 1124681253 /nfs/dbraw/zinc/68/12/53/1124681253.db2.gz AEGCNCWCALJDDI-ZYHUDNBSSA-N 0 1 265.401 3.596 20 0 CHADMN C[C@@]1(c2ccc(F)cc2)CCN(Cc2ccncc2F)C1 ZINC000449298234 1124685812 /nfs/dbraw/zinc/68/58/12/1124685812.db2.gz GZRYDGRJMVRLAT-QGZVFWFLSA-N 0 1 288.341 3.523 20 0 CHADMN C[C@@H](CSC(C)(C)C)NCc1ncc(Cl)s1 ZINC000872116843 1124688748 /nfs/dbraw/zinc/68/87/48/1124688748.db2.gz VOMXBLLBYICHIU-QMMMGPOBSA-N 0 1 278.874 3.806 20 0 CHADMN COc1cc(F)cc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000449332396 1124690440 /nfs/dbraw/zinc/69/04/40/1124690440.db2.gz DCIJOFSNYGGIDZ-MRXNPFEDSA-N 0 1 275.367 3.599 20 0 CHADMN COc1cc(F)cc(CN2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000449332396 1124690443 /nfs/dbraw/zinc/69/04/43/1124690443.db2.gz DCIJOFSNYGGIDZ-MRXNPFEDSA-N 0 1 275.367 3.599 20 0 CHADMN COc1cc(C)c([C@H](C)N[C@H](C)c2nccnc2C)cc1C ZINC000872133492 1124692666 /nfs/dbraw/zinc/69/26/66/1124692666.db2.gz NDYJPBICLLZNNR-DZGCQCFKSA-N 0 1 299.418 3.822 20 0 CHADMN CC[C@H](N[C@H](C)c1csc(C)n1)[C@H](O)c1ccccc1 ZINC000872134720 1124693621 /nfs/dbraw/zinc/69/36/21/1124693621.db2.gz YDTABFBZIUPJMM-DIOULYMOSA-N 0 1 290.432 3.614 20 0 CHADMN C[N@@H+](Cc1cc(C(=O)[O-])cs1)C1CCCCCCC1 ZINC000872156588 1124696003 /nfs/dbraw/zinc/69/60/03/1124696003.db2.gz DQQCLJYYYPCIFI-UHFFFAOYSA-N 0 1 281.421 3.991 20 0 CHADMN Cc1ccc(C[N@@H+](C2CC2)C2CCCCC2)cc1C(=O)[O-] ZINC000872157545 1124696405 /nfs/dbraw/zinc/69/64/05/1124696405.db2.gz RGKHNHBSLIQZSO-UHFFFAOYSA-N 0 1 287.403 3.990 20 0 CHADMN C[C@@H](C[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12)C1CCCCC1 ZINC000872167808 1124697017 /nfs/dbraw/zinc/69/70/17/1124697017.db2.gz KBFZUJULFRCUEG-JLJPHGGASA-N 0 1 279.424 3.532 20 0 CHADMN ClC(Cl)=CCN1CCC[C@H](OC2CCC2)CC1 ZINC000872282071 1124700850 /nfs/dbraw/zinc/70/08/50/1124700850.db2.gz AEYXNROTKIICRV-LBPRGKRZSA-N 0 1 278.223 3.729 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](OC3CCC3)CC2)nc1 ZINC000872279619 1124700909 /nfs/dbraw/zinc/70/09/09/1124700909.db2.gz FVCUYVBEAQAFIB-MRXNPFEDSA-N 0 1 294.826 3.659 20 0 CHADMN CC[C@H](N[C@H](C)CCc1cccc(F)c1)C(F)F ZINC000449363306 1124712826 /nfs/dbraw/zinc/71/28/26/1124712826.db2.gz PHIUVBYHTAOLKQ-MFKMUULPSA-N 0 1 259.315 3.780 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1ccc(N2CCCC2)o1 ZINC001137060930 1124719653 /nfs/dbraw/zinc/71/96/53/1124719653.db2.gz JHSDNYHQWKYJLD-OAHLLOKOSA-N 0 1 296.414 3.999 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(N3CCCC3)o2)c1 ZINC001137060717 1124719673 /nfs/dbraw/zinc/71/96/73/1124719673.db2.gz BZESZPKKSBOWBB-UHFFFAOYSA-N 0 1 284.403 3.820 20 0 CHADMN Cc1noc(C23CC(C2)CN3CC[C@H]2CCC[C@@H](C)C2)n1 ZINC000528625085 1124724226 /nfs/dbraw/zinc/72/42/26/1124724226.db2.gz UHUQOADKUDLRPN-KGFRJXLPSA-N 0 1 289.423 3.515 20 0 CHADMN COc1ccc([C@H](C)[C@H](C)N[C@@H](C)C(C)(F)F)cc1 ZINC000449412752 1124730502 /nfs/dbraw/zinc/73/05/02/1124730502.db2.gz GLCYZUZDDJWCKJ-WOPDTQHZSA-N 0 1 271.351 3.821 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1CN1CC(C)(C)[C@@H]1c1nccn1C ZINC000449412493 1124731167 /nfs/dbraw/zinc/73/11/67/1124731167.db2.gz FSPUQGLWSBOWAW-XHSDSOJGSA-N 0 1 287.451 3.795 20 0 CHADMN CC1=C[C@H](C)C[C@@H](CN2CC(C)(C)[C@H]2c2nccn2C)C1 ZINC000449411242 1124731444 /nfs/dbraw/zinc/73/14/44/1124731444.db2.gz AQZYGRNGCRKURD-NUEKZKHPSA-N 0 1 287.451 3.795 20 0 CHADMN FC(F)(F)c1ccccc1CN1CC[C@@H]1C1CC1 ZINC000449422023 1124740403 /nfs/dbraw/zinc/74/04/03/1124740403.db2.gz CAVJIHOYOBDEHP-CYBMUJFWSA-N 0 1 255.283 3.690 20 0 CHADMN CC/C=C/CNCc1csc(-c2ccccc2)n1 ZINC000449454075 1124744907 /nfs/dbraw/zinc/74/49/07/1124744907.db2.gz JBDVXFBATMKGBJ-XVNBXDOJSA-N 0 1 258.390 3.866 20 0 CHADMN CCc1ccc(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)cn1 ZINC000449460165 1124747261 /nfs/dbraw/zinc/74/72/61/1124747261.db2.gz MQRSYRGOMBBRNM-AAEUAGOBSA-N 0 1 286.341 3.807 20 0 CHADMN Cc1nccnc1[C@H](C)NC/C=C/c1ccc(Cl)cc1 ZINC000873186962 1124747437 /nfs/dbraw/zinc/74/74/37/1124747437.db2.gz HIKUNQANUUAABO-PCAWENJQSA-N 0 1 287.794 3.802 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1ccccc1C1CC1 ZINC000873187590 1124747631 /nfs/dbraw/zinc/74/76/31/1124747631.db2.gz XMVTWPZAPNWYRU-ZDUSSCGKSA-N 0 1 267.376 3.513 20 0 CHADMN CC(C)n1cncc1CNc1nc2ccc(Cl)cc2[nH]1 ZINC000873188003 1124749319 /nfs/dbraw/zinc/74/93/19/1124749319.db2.gz FERFBZNBKUREOL-UHFFFAOYSA-N 0 1 289.770 3.606 20 0 CHADMN CSc1cc(-c2cccc3cncn32)ccc1F ZINC001238967465 1131281343 /nfs/dbraw/zinc/28/13/43/1131281343.db2.gz SMEOQUIAOYMMKN-UHFFFAOYSA-N 0 1 258.321 3.862 20 0 CHADMN CCC[C@@H](Cc1ccccc1)NCc1nn(C)cc1Cl ZINC000449481595 1124756181 /nfs/dbraw/zinc/75/61/81/1124756181.db2.gz UMQVBIUOCVNPNQ-AWEZNQCLSA-N 0 1 291.826 3.575 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cc(N)cc(F)c1 ZINC000873287039 1124760370 /nfs/dbraw/zinc/76/03/70/1124760370.db2.gz BDZXFBYHRAJJRF-GFCCVEGCSA-N 0 1 288.366 3.576 20 0 CHADMN CCO[C@H]1CCN(Cc2ccc(F)cc2Cl)C[C@H]1C ZINC000449496660 1124770218 /nfs/dbraw/zinc/77/02/18/1124770218.db2.gz QEELSOBIPGWNNC-ABAIWWIYSA-N 0 1 285.790 3.726 20 0 CHADMN CCO[C@@H]1CCN(Cc2ccc(F)cc2Cl)C[C@H]1C ZINC000449496661 1124770322 /nfs/dbraw/zinc/77/03/22/1124770322.db2.gz QEELSOBIPGWNNC-IAQYHMDHSA-N 0 1 285.790 3.726 20 0 CHADMN CCO[C@H]1CC[N@@H+](Cc2ccc(C)c(Cl)c2)C[C@@H]1C ZINC000449497453 1124770581 /nfs/dbraw/zinc/77/05/81/1124770581.db2.gz KJUYMVJQWCDKTQ-BBRMVZONSA-N 0 1 281.827 3.895 20 0 CHADMN CCOc1cc(C)c(-c2ccc(F)c(CN(C)C)c2)cn1 ZINC001238980408 1131284606 /nfs/dbraw/zinc/28/46/06/1131284606.db2.gz WSPJKXCBEYOSGG-UHFFFAOYSA-N 0 1 288.366 3.656 20 0 CHADMN Cc1nnc(-c2ccc(-c3ccc4nc[nH]c4c3C)cc2)o1 ZINC001239019633 1131290849 /nfs/dbraw/zinc/29/08/49/1131290849.db2.gz ZVUPDCNOOWPYCX-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN(c4nccs4)C3)[nH]c2c1 ZINC000820687736 1131298707 /nfs/dbraw/zinc/29/87/07/1131298707.db2.gz YQANCXGGMDSEHQ-LBPRGKRZSA-N 0 1 298.415 3.712 20 0 CHADMN Cc1nnc([C@H](C)N[C@H](C)[C@H](C)C2CCCCC2)o1 ZINC000248590017 1124817385 /nfs/dbraw/zinc/81/73/85/1124817385.db2.gz QZLZHRQAYWJLKV-TUAOUCFPSA-N 0 1 265.401 3.634 20 0 CHADMN Clc1cccc(CC2(NCc3cscn3)CC2)c1 ZINC000449676102 1124835774 /nfs/dbraw/zinc/83/57/74/1124835774.db2.gz FCZMYFRPUNTHHF-UHFFFAOYSA-N 0 1 278.808 3.661 20 0 CHADMN CC1CC(CN2C[C@@H](c3ccsc3)O[C@@H](C)C2)C1 ZINC001168112264 1124840086 /nfs/dbraw/zinc/84/00/86/1124840086.db2.gz IBTDCIZJZSVWGH-GWIFJHRUSA-N 0 1 265.422 3.556 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(Cl)nc2)cc1C ZINC000125748002 1124922393 /nfs/dbraw/zinc/92/23/93/1124922393.db2.gz ZHMZCFZUUMUIIU-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Nc1c(F)cccc1Nc1cc(Cl)cc2[nH]ncc21 ZINC001159870667 1131321281 /nfs/dbraw/zinc/32/12/81/1131321281.db2.gz QHJDUNCKIKPJTO-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN O=c1[nH]ccc2oc(CN3CCC[C@H]3c3ccccc3)cc21 ZINC000876557232 1124958579 /nfs/dbraw/zinc/95/85/79/1124958579.db2.gz GQMXNMAVFMRFFT-INIZCTEOSA-N 0 1 294.354 3.871 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2ccc(Cl)nn2)c(C)c1 ZINC000876574382 1124960807 /nfs/dbraw/zinc/96/08/07/1124960807.db2.gz SLYNPYZHQABBTP-CYBMUJFWSA-N 0 1 289.810 3.940 20 0 CHADMN CCN(Cc1cccnc1Br)C1CCCC1 ZINC000876580132 1124961328 /nfs/dbraw/zinc/96/13/28/1124961328.db2.gz GKUBTIDLHCVHAL-UHFFFAOYSA-N 0 1 283.213 3.609 20 0 CHADMN CCO[C@@H](C)c1noc(CN(C(C)C)C2CCCCC2)n1 ZINC000120617754 1124963002 /nfs/dbraw/zinc/96/30/02/1124963002.db2.gz KZDDZPIKQLILBX-ZDUSSCGKSA-N 0 1 295.427 3.710 20 0 CHADMN CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(Cl)nn1 ZINC000876730553 1124972401 /nfs/dbraw/zinc/97/24/01/1124972401.db2.gz JYMOIUYGASUZOA-INIZCTEOSA-N 0 1 289.810 3.959 20 0 CHADMN Fc1ccc(C2CCN(Cc3ccns3)CC2)cc1 ZINC000876724488 1124973703 /nfs/dbraw/zinc/97/37/03/1124973703.db2.gz YERTVCYFBVEYMY-UHFFFAOYSA-N 0 1 276.380 3.662 20 0 CHADMN CCC[C@@H]1CCC[C@@H]1C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000450313696 1124977812 /nfs/dbraw/zinc/97/78/12/1124977812.db2.gz RMAVBYGTGVJFON-KGLIPLIRSA-N 0 1 299.418 3.704 20 0 CHADMN CCN(c1ccc(NCc2ccns2)cc1)C(C)C ZINC000876819838 1124980404 /nfs/dbraw/zinc/98/04/04/1124980404.db2.gz GHVNPZHRFYNACD-UHFFFAOYSA-N 0 1 275.421 3.990 20 0 CHADMN O[C@H]1CCN(Cc2ccc(-c3ccccc3)c(Cl)c2)C1 ZINC000529523361 1124984278 /nfs/dbraw/zinc/98/42/78/1124984278.db2.gz PDWLCBXFTITNSQ-HNNXBMFYSA-N 0 1 287.790 3.574 20 0 CHADMN Clc1csc(CNCCc2ccc(Cl)s2)n1 ZINC000876939719 1124991679 /nfs/dbraw/zinc/99/16/79/1124991679.db2.gz JKUXIJXEYSQZAX-UHFFFAOYSA-N 0 1 293.244 3.844 20 0 CHADMN CCOc1cccc(CNCc2cccc(Cl)c2N)c1 ZINC000876935365 1124991879 /nfs/dbraw/zinc/99/18/79/1124991879.db2.gz BSXLAZXAOOQQHX-UHFFFAOYSA-N 0 1 290.794 3.611 20 0 CHADMN COc1c(C)cnc(CN[C@@H]2CCc3ccc(C)cc32)c1C ZINC000877015394 1124998220 /nfs/dbraw/zinc/99/82/20/1124998220.db2.gz OQLDJOJLMBGRHD-QGZVFWFLSA-N 0 1 296.414 3.793 20 0 CHADMN Clc1ccc2c(c1)[C@@H](NC[C@@H]1CC1(Cl)Cl)CO2 ZINC000877088176 1125008614 /nfs/dbraw/zinc/00/86/14/1125008614.db2.gz CBSDHVLDULKATK-XVKPBYJWSA-N 0 1 292.593 3.557 20 0 CHADMN CC1(C)C[C@@H](NCc2ccc(Cl)nn2)c2ccccc21 ZINC000877099798 1125010871 /nfs/dbraw/zinc/01/08/71/1125010871.db2.gz KUMGHLQFWIUGAX-CQSZACIVSA-N 0 1 287.794 3.642 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@@H](C)N([C@@H](C)c2csnn2)C1 ZINC000450420459 1125019495 /nfs/dbraw/zinc/01/94/95/1125019495.db2.gz KAUHLAZMCKBUSR-HZSPNIEDSA-N 0 1 287.432 3.786 20 0 CHADMN CCOc1cc(F)cc(CN(C)[C@H](C)c2ccncc2)c1 ZINC000877317314 1125021572 /nfs/dbraw/zinc/02/15/72/1125021572.db2.gz IXSOLWNNGRBURA-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN CC(C)[C@H](CC(F)(F)F)NCc1nc(Cl)cs1 ZINC000877462744 1125028730 /nfs/dbraw/zinc/02/87/30/1125028730.db2.gz WXWJMRMGJLNLFT-ZETCQYMHSA-N 0 1 286.750 3.863 20 0 CHADMN FC1(F)CCCC[C@H]1CN1CCOC[C@@H]1c1ccccc1 ZINC000450451187 1125032419 /nfs/dbraw/zinc/03/24/19/1125032419.db2.gz FDFPPNAAWXOBSU-JKSUJKDBSA-N 0 1 295.373 3.885 20 0 CHADMN OCCCC[N@@H+](Cc1cc(Cl)ccc1Cl)C1CC1 ZINC000121071646 1125036474 /nfs/dbraw/zinc/03/64/74/1125036474.db2.gz ZUXWZEAUYNKLEG-UHFFFAOYSA-N 0 1 288.218 3.730 20 0 CHADMN OCCCCN(Cc1cc(Cl)ccc1Cl)C1CC1 ZINC000121071646 1125036482 /nfs/dbraw/zinc/03/64/82/1125036482.db2.gz ZUXWZEAUYNKLEG-UHFFFAOYSA-N 0 1 288.218 3.730 20 0 CHADMN CCCN(Cc1nc(C)c(C)o1)[C@H]1C[C@H](OCC)C1(C)C ZINC000121074105 1125037087 /nfs/dbraw/zinc/03/70/87/1125037087.db2.gz ZZUYZPGQLSWRCQ-GJZGRUSLSA-N 0 1 294.439 3.707 20 0 CHADMN FC1(F)CCCC[C@@H]1CNCc1nc(Cl)cs1 ZINC000877555809 1125044969 /nfs/dbraw/zinc/04/49/69/1125044969.db2.gz CHXQASVYWSHYRB-MRVPVSSYSA-N 0 1 280.771 3.712 20 0 CHADMN CC(C)CC[C@H]1CCCN1Cc1nnc(C2CC2)s1 ZINC000450500836 1125045930 /nfs/dbraw/zinc/04/59/30/1125045930.db2.gz OFCPSMYSQMDYJN-CYBMUJFWSA-N 0 1 279.453 3.816 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1Cc1nnc(C2CC2)s1 ZINC000450564264 1125056934 /nfs/dbraw/zinc/05/69/34/1125056934.db2.gz MLXUPCJAOVWUAK-DGCLKSJQSA-N 0 1 279.453 3.816 20 0 CHADMN C[C@]1(F)CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000450563267 1125057633 /nfs/dbraw/zinc/05/76/33/1125057633.db2.gz TVWBCFPFYWDQIP-HNNXBMFYSA-N 0 1 262.303 3.702 20 0 CHADMN CSC1CCN(Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877663290 1125060761 /nfs/dbraw/zinc/06/07/61/1125060761.db2.gz NZVNVJQTNVIIEX-UHFFFAOYSA-N 0 1 296.823 3.809 20 0 CHADMN C[C@H](N[C@@H]1c2cccc(F)c2CC[C@@H]1C)c1cn(C)cn1 ZINC000925229687 1125062875 /nfs/dbraw/zinc/06/28/75/1125062875.db2.gz PPSHGVKSSWLWTR-PRXAMGSTSA-N 0 1 287.382 3.533 20 0 CHADMN C[C@H](N[C@H]1c2cccc(F)c2CC[C@@H]1C)c1cn(C)cn1 ZINC000925229685 1125063022 /nfs/dbraw/zinc/06/30/22/1125063022.db2.gz PPSHGVKSSWLWTR-NVGCLXPQSA-N 0 1 287.382 3.533 20 0 CHADMN CC(C)OCCCN[C@@H](C)c1csc(C(C)C)n1 ZINC000121219422 1125066073 /nfs/dbraw/zinc/06/60/73/1125066073.db2.gz UNQDJNIJVDPMEY-LBPRGKRZSA-N 0 1 270.442 3.732 20 0 CHADMN COc1cc(CN(C)[C@@H](C)c2ccccn2)ccc1Cl ZINC000450630429 1125067940 /nfs/dbraw/zinc/06/79/40/1125067940.db2.gz SLQSPNINFSWSRU-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN CC(C)(C)c1cnc(CN2CC[C@@H]3CSC[C@@H]3C2)s1 ZINC000877738746 1125073389 /nfs/dbraw/zinc/07/33/89/1125073389.db2.gz PUZNHMWLYKVARG-NEPJUHHUSA-N 0 1 296.505 3.626 20 0 CHADMN CN(Cc1ccc2cc[nH]c2c1)C[C@@H]1CC1(Cl)Cl ZINC000877769226 1125077881 /nfs/dbraw/zinc/07/78/81/1125077881.db2.gz BKTMZOVLXNRIEL-LBPRGKRZSA-N 0 1 283.202 3.794 20 0 CHADMN CC(C)N1CCC[C@H](Oc2cc(F)cc(F)c2Cl)C1 ZINC001228431900 1125085292 /nfs/dbraw/zinc/08/52/92/1125085292.db2.gz CKNYIXGUDAFTCR-NSHDSACASA-N 0 1 289.753 3.870 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCC3CC(F)(F)C3)n2)cc1 ZINC000450691005 1125086810 /nfs/dbraw/zinc/08/68/10/1125086810.db2.gz WTSBQAULECWDHU-UHFFFAOYSA-N 0 1 295.358 3.918 20 0 CHADMN Cc1ccsc1CN1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000877822491 1125087873 /nfs/dbraw/zinc/08/78/73/1125087873.db2.gz GZOROVQMIOQDBK-ZYHUDNBSSA-N 0 1 293.354 3.598 20 0 CHADMN CC(C)(O)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000877835091 1125089131 /nfs/dbraw/zinc/08/91/31/1125089131.db2.gz GUGGLTDHFAKBJB-NSHDSACASA-N 0 1 288.218 3.586 20 0 CHADMN CC(F)(F)CCCN1CCO[C@@](C)(c2ccccc2)C1 ZINC001168124339 1125097809 /nfs/dbraw/zinc/09/78/09/1125097809.db2.gz FBSLAFVQTISJEX-OAHLLOKOSA-N 0 1 283.362 3.669 20 0 CHADMN O[C@H](CN1C2CCC1CC2)c1ccc(Cl)c(Cl)c1 ZINC000877951560 1125105726 /nfs/dbraw/zinc/10/57/26/1125105726.db2.gz OHYSPFZCFDZXEU-QIMFLAQGSA-N 0 1 286.202 3.654 20 0 CHADMN C[C@@H]1CCC[C@H](N(C)Cc2nc3c(o2)CCCC3)C1 ZINC000877966489 1125107344 /nfs/dbraw/zinc/10/73/44/1125107344.db2.gz MTNYWDVQXYJWPC-OLZOCXBDSA-N 0 1 262.397 3.564 20 0 CHADMN CCc1oc2ccccc2c1CN(C)Cc1c(C)n[nH]c1C ZINC000121332706 1125108389 /nfs/dbraw/zinc/10/83/89/1125108389.db2.gz GBFHCBZSHHVCTR-UHFFFAOYSA-N 0 1 297.402 3.967 20 0 CHADMN CN(Cc1ccoc1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000877989434 1125110196 /nfs/dbraw/zinc/11/01/96/1125110196.db2.gz ZQXPNEYWTNKIEJ-DLBZAZTESA-N 0 1 271.360 3.632 20 0 CHADMN CC[N@@H+](Cc1coc(-c2cccc(OC)c2)n1)C(C)C ZINC000877983470 1125111339 /nfs/dbraw/zinc/11/13/39/1125111339.db2.gz MFCIEERCFWJXRP-UHFFFAOYSA-N 0 1 274.364 3.581 20 0 CHADMN CCN(Cc1coc(-c2cccc(OC)c2)n1)C(C)C ZINC000877983470 1125111341 /nfs/dbraw/zinc/11/13/41/1125111341.db2.gz MFCIEERCFWJXRP-UHFFFAOYSA-N 0 1 274.364 3.581 20 0 CHADMN Cc1ccccc1[C@@H]1CCN(Cc2nc3c(o2)CCCC3)C1 ZINC000878031359 1125114150 /nfs/dbraw/zinc/11/41/50/1125114150.db2.gz XOIMPHMPODAJML-OAHLLOKOSA-N 0 1 296.414 3.851 20 0 CHADMN Cc1conc1CN(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000878116990 1125120636 /nfs/dbraw/zinc/12/06/36/1125120636.db2.gz LGQHJIFOLSJNBA-LBPRGKRZSA-N 0 1 278.783 3.699 20 0 CHADMN C=C/C=C/CCN(C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000878118680 1125120699 /nfs/dbraw/zinc/12/06/99/1125120699.db2.gz DJIOVEZMIJHLKF-DUMMIQTOSA-N 0 1 299.393 3.713 20 0 CHADMN Clc1ncsc1CN1CCC[C@H]2CCC[C@H]21 ZINC000878133522 1125121828 /nfs/dbraw/zinc/12/18/28/1125121828.db2.gz KWWVDAJAWRMMRP-NXEZZACHSA-N 0 1 256.802 3.561 20 0 CHADMN Cc1conc1CN1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000878135975 1125122162 /nfs/dbraw/zinc/12/21/62/1125122162.db2.gz SXZQYTMJJLGVPA-CJNGLKHVSA-N 0 1 270.376 3.609 20 0 CHADMN COc1ccccc1-c1nc(C[N@H+]2CC[C@@H](C)[C@H]2C)co1 ZINC000878164098 1125126236 /nfs/dbraw/zinc/12/62/36/1125126236.db2.gz GJKWDXKTIWBOCT-CHWSQXEVSA-N 0 1 286.375 3.581 20 0 CHADMN CN(Cc1nccn1CC(F)F)C1CCC(C)(C)CC1 ZINC000878184139 1125129033 /nfs/dbraw/zinc/12/90/33/1125129033.db2.gz PMUUKMNFQOHCHZ-UHFFFAOYSA-N 0 1 285.382 3.549 20 0 CHADMN C[C@@H](C[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C)C1CCCCC1 ZINC000530172849 1125129842 /nfs/dbraw/zinc/12/98/42/1125129842.db2.gz BKWAVQXVUWXJJW-AYDFFVQHSA-N 0 1 281.440 3.776 20 0 CHADMN Cc1ccc(CNCc2ccco2)cc1Br ZINC000121516242 1125131422 /nfs/dbraw/zinc/13/14/22/1125131422.db2.gz WSIMKMCTTODISL-UHFFFAOYSA-N 0 1 280.165 3.640 20 0 CHADMN CN(Cc1cccnc1)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878298568 1125139296 /nfs/dbraw/zinc/13/92/96/1125139296.db2.gz JBZWIWBZJPTRSJ-OALUTQOASA-N 0 1 296.414 3.824 20 0 CHADMN COc1cccc([C@H](C)NCc2ccc(C)c(Cl)n2)c1 ZINC000878349081 1125143748 /nfs/dbraw/zinc/14/37/48/1125143748.db2.gz CEIZCVZIEHBXBU-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cc3nc4c(o3)CCCC4)C2)cc1 ZINC000878405530 1125150099 /nfs/dbraw/zinc/15/00/99/1125150099.db2.gz GRJRRJWLXJTDHW-MRXNPFEDSA-N 0 1 296.414 3.851 20 0 CHADMN Cc1csc(C2(NC[C@H]3CCC4(CCC4)O3)CCC2)n1 ZINC000878417097 1125152084 /nfs/dbraw/zinc/15/20/84/1125152084.db2.gz CRYOFEPBZHSDJX-CYBMUJFWSA-N 0 1 292.448 3.522 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@H]2CC3(CCC3)CO2)cs1 ZINC000878419219 1125152125 /nfs/dbraw/zinc/15/21/25/1125152125.db2.gz VACGNOKCOMSDKL-QWHCGFSZSA-N 0 1 294.464 3.876 20 0 CHADMN C=C/C=C\CCN[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000878424453 1125153004 /nfs/dbraw/zinc/15/30/04/1125153004.db2.gz RCMNTJTUYZSVGR-QMAVJUDZSA-N 0 1 287.338 3.659 20 0 CHADMN C=C/C=C\CCN[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000878425638 1125153082 /nfs/dbraw/zinc/15/30/82/1125153082.db2.gz OVDFEWFIRDLHES-SZZPACECSA-N 0 1 299.374 3.528 20 0 CHADMN FC1(F)CCC[C@@H]1CCN1CCCC[C@H]1c1cc[nH]n1 ZINC000878601139 1125164651 /nfs/dbraw/zinc/16/46/51/1125164651.db2.gz HHOYSXWBPGOZES-OCCSQVGLSA-N 0 1 283.366 3.762 20 0 CHADMN Cc1conc1CN1C[C@H](C)C[C@H]1c1ccccc1 ZINC000878611951 1125165557 /nfs/dbraw/zinc/16/55/57/1125165557.db2.gz DREPSUNKFOAJKF-WBMJQRKESA-N 0 1 256.349 3.566 20 0 CHADMN CCc1ccc(CN[C@@H](COC)c2ccc(F)cc2)cc1 ZINC000530729363 1125175219 /nfs/dbraw/zinc/17/52/19/1125175219.db2.gz VKEIJFWLQCDXLT-SFHVURJKSA-N 0 1 287.378 3.865 20 0 CHADMN CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H](CF)C1 ZINC001137139356 1125187934 /nfs/dbraw/zinc/18/79/34/1125187934.db2.gz RUFAACVZNIVBPZ-AWEZNQCLSA-N 0 1 265.372 3.655 20 0 CHADMN CC1(C)C[N@@H+](C[C@H]2CCC3(CCC3)O2)[C@@H]1c1cccnc1 ZINC000879009648 1125191872 /nfs/dbraw/zinc/19/18/72/1125191872.db2.gz CGAUURLTVOPDTL-HZPDHXFCSA-N 0 1 286.419 3.566 20 0 CHADMN CC1(C)CN(C[C@H]2CCC3(CCC3)O2)[C@@H]1c1cccnc1 ZINC000879009648 1125191877 /nfs/dbraw/zinc/19/18/77/1125191877.db2.gz CGAUURLTVOPDTL-HZPDHXFCSA-N 0 1 286.419 3.566 20 0 CHADMN Cc1ccc(-c2nnc(CN3CC[C@@H](C)[C@H](C)C3)o2)cc1 ZINC000122637804 1125196377 /nfs/dbraw/zinc/19/63/77/1125196377.db2.gz VJJMHGITPYLHFW-ZIAGYGMSSA-N 0 1 285.391 3.523 20 0 CHADMN Cc1ccc(C[C@H](C)N(C)Cc2nccn2C(C)C)cc1 ZINC000531210221 1125202295 /nfs/dbraw/zinc/20/22/95/1125202295.db2.gz DCGMZDRXZNLVGA-INIZCTEOSA-N 0 1 285.435 3.835 20 0 CHADMN Cc1ccc(C[C@@H](C)N(C)Cc2nccn2C(C)C)cc1 ZINC000531210222 1125202493 /nfs/dbraw/zinc/20/24/93/1125202493.db2.gz DCGMZDRXZNLVGA-MRXNPFEDSA-N 0 1 285.435 3.835 20 0 CHADMN C[C@H](O)CN(Cc1csc(C2CC2)n1)C1CCCCC1 ZINC000305619858 1125213369 /nfs/dbraw/zinc/21/33/69/1125213369.db2.gz HCRAPLUEAOHIOP-LBPRGKRZSA-N 0 1 294.464 3.536 20 0 CHADMN F[C@]1(c2ccccc2)CCCN(CCc2ccccn2)C1 ZINC000879478082 1125217318 /nfs/dbraw/zinc/21/73/18/1125217318.db2.gz METFBGSGAHZREG-GOSISDBHSA-N 0 1 284.378 3.585 20 0 CHADMN Fc1ccc(-c2nc(CN3CCC4(CCC4)C3)co2)cc1 ZINC000123000787 1125219748 /nfs/dbraw/zinc/21/97/48/1125219748.db2.gz JZCYZROWUGVGQU-UHFFFAOYSA-N 0 1 286.350 3.857 20 0 CHADMN Fc1cccc(F)c1CN[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671359 1125224159 /nfs/dbraw/zinc/22/41/59/1125224159.db2.gz KOJCBDJPXFGUMM-ZWNOBZJWSA-N 0 1 291.263 3.952 20 0 CHADMN COc1cccc(C[N@H+]2CCC[C@@H]2c2cncc(C)c2)c1 ZINC000879748710 1125229367 /nfs/dbraw/zinc/22/93/67/1125229367.db2.gz NDFPYIZMOMUWDB-GOSISDBHSA-N 0 1 282.387 3.736 20 0 CHADMN Cc1ccc(CN2CCO[C@](C)(c3ccccc3)C2)cc1 ZINC000532098380 1125234395 /nfs/dbraw/zinc/23/43/95/1125234395.db2.gz SLKQFGTZIQLRON-IBGZPJMESA-N 0 1 281.399 3.743 20 0 CHADMN C[C@@H](NC/C=C/Cl)c1ccc(C(F)(F)F)nc1 ZINC000880097236 1125250514 /nfs/dbraw/zinc/25/05/14/1125250514.db2.gz LKLYQQQMINWFJK-IBDUZEINSA-N 0 1 264.678 3.504 20 0 CHADMN C[C@H](NC/C=C/Cl)c1ccc(C(F)(F)F)nc1 ZINC000880100618 1125250546 /nfs/dbraw/zinc/25/05/46/1125250546.db2.gz LKLYQQQMINWFJK-NCJLJLRUSA-N 0 1 264.678 3.504 20 0 CHADMN CCC[C@H](C(=O)c1ccccc1)N(C)[C@@H]1CCO[C@@H](C)C1 ZINC001168142906 1125251358 /nfs/dbraw/zinc/25/13/58/1125251358.db2.gz MZTYRGZZRLGHPW-USXIJHARSA-N 0 1 289.419 3.537 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1ccc(Cl)s1 ZINC000170029238 1125256076 /nfs/dbraw/zinc/25/60/76/1125256076.db2.gz HWKXRARHDDCLGL-UHFFFAOYSA-N 0 1 277.736 3.530 20 0 CHADMN FC[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000880234902 1125258546 /nfs/dbraw/zinc/25/85/46/1125258546.db2.gz LEGATIXKXYPYMX-LBPRGKRZSA-N 0 1 292.329 3.662 20 0 CHADMN FC[C@@H]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000880234902 1125258550 /nfs/dbraw/zinc/25/85/50/1125258550.db2.gz LEGATIXKXYPYMX-LBPRGKRZSA-N 0 1 292.329 3.662 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cc3csnn3)C2(C)C)cc1 ZINC000880286900 1125262129 /nfs/dbraw/zinc/26/21/29/1125262129.db2.gz HVQDZCABNFWGIH-HNNXBMFYSA-N 0 1 287.432 3.615 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CC[C@@H](c2nccs2)C1 ZINC000880317038 1125264646 /nfs/dbraw/zinc/26/46/46/1125264646.db2.gz OPYUQTQRDHEXRN-GHMZBOCLSA-N 0 1 294.370 3.972 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)n1c2ccccc2nc1CN ZINC001168148717 1125265067 /nfs/dbraw/zinc/26/50/67/1125265067.db2.gz HSRXFGADEQWZBK-GFCCVEGCSA-N 0 1 299.805 3.952 20 0 CHADMN Fc1ccc(Cl)c(CN2CC[C@@H](c3nccs3)C2)c1 ZINC000880319231 1125265617 /nfs/dbraw/zinc/26/56/17/1125265617.db2.gz DDXKBOLOIYVQGG-SNVBAGLBSA-N 0 1 296.798 3.925 20 0 CHADMN Cc1csc(CN2CC[C@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001137152225 1125267182 /nfs/dbraw/zinc/26/71/82/1125267182.db2.gz KMLRYHZVHMPJOA-LBPRGKRZSA-N 0 1 297.420 3.583 20 0 CHADMN Cc1ncccc1CN1CCc2ccsc2[C@H]1C ZINC000880376296 1125269545 /nfs/dbraw/zinc/26/95/45/1125269545.db2.gz FTQYKYXBIDENQB-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN Cc1ccc(CN2CCc3ccsc3[C@H]2C)cn1 ZINC000880377478 1125269683 /nfs/dbraw/zinc/26/96/83/1125269683.db2.gz XARFNEQGFRQBJF-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2cncn2C(C)C)cc1 ZINC000090208287 1125271501 /nfs/dbraw/zinc/27/15/01/1125271501.db2.gz ZMQVYKFJVTZLME-CQSZACIVSA-N 0 1 287.407 3.714 20 0 CHADMN Cc1ncsc1CN1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880535326 1125277970 /nfs/dbraw/zinc/27/79/70/1125277970.db2.gz ACVPSDVGHUBOAM-WFASDCNBSA-N 0 1 270.401 3.886 20 0 CHADMN FC(F)(F)CCN1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880537761 1125279645 /nfs/dbraw/zinc/27/96/45/1125279645.db2.gz YEVYIHVBPPCSDU-GWCFXTLKSA-N 0 1 255.283 3.873 20 0 CHADMN FC(F)(F)c1cccc([C@H]2CN(CC3CCC3)CCO2)c1 ZINC000475748284 1125287416 /nfs/dbraw/zinc/28/74/16/1125287416.db2.gz NMUMFCCWYPLCQF-OAHLLOKOSA-N 0 1 299.336 3.879 20 0 CHADMN COc1cccc(CN(C)Cc2cc(C)cs2)c1OC ZINC001137160461 1125291690 /nfs/dbraw/zinc/29/16/90/1125291690.db2.gz ZOIDMTPZURRKPB-UHFFFAOYSA-N 0 1 291.416 3.706 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cccnc2)c(Cl)c1 ZINC000235229571 1125292169 /nfs/dbraw/zinc/29/21/69/1125292169.db2.gz OKYRZXJPOKCCOE-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN CCCCCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C)C(C)C ZINC000880863410 1125293827 /nfs/dbraw/zinc/29/38/27/1125293827.db2.gz CCZJJSQCOUYZNK-CJNGLKHVSA-N 0 1 291.439 3.503 20 0 CHADMN COc1c(Cl)cc(-c2cccc3[nH]nnc32)cc1Cl ZINC001204830030 1125297024 /nfs/dbraw/zinc/29/70/24/1125297024.db2.gz FKOIVKYNAYZUKF-UHFFFAOYSA-N 0 1 294.141 3.940 20 0 CHADMN CCOCc1ccccc1CNCc1cc(C)oc1C ZINC000163363162 1125310492 /nfs/dbraw/zinc/31/04/92/1125310492.db2.gz SYRHGJWXAYTCMT-UHFFFAOYSA-N 0 1 273.376 3.723 20 0 CHADMN Cc1ncc([C@H](C)NCc2cnccc2C(C)(C)C)s1 ZINC000666205701 1125315970 /nfs/dbraw/zinc/31/59/70/1125315970.db2.gz JDANBGYLQHRFCD-NSHDSACASA-N 0 1 289.448 3.995 20 0 CHADMN COc1ccc([C@@H](C)NCc2cnn(C(C)C)c2)cc1C ZINC000897417633 1125321110 /nfs/dbraw/zinc/32/11/10/1125321110.db2.gz UUVPYLGSDALFTP-CQSZACIVSA-N 0 1 287.407 3.632 20 0 CHADMN CCN(C)c1ccc(CN(C)[C@@H](C)c2cccs2)cn1 ZINC000191237240 1125323317 /nfs/dbraw/zinc/32/33/17/1125323317.db2.gz YGRZJMUBZKSNFB-ZDUSSCGKSA-N 0 1 289.448 3.792 20 0 CHADMN CC(C)[C@H](C)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000191577655 1125327062 /nfs/dbraw/zinc/32/70/62/1125327062.db2.gz PWBIAYQFCXQLMC-RYUDHWBXSA-N 0 1 265.401 3.812 20 0 CHADMN CC(C)c1cccc2c1CCN(Cc1ccccn1)C2 ZINC000191889916 1125328386 /nfs/dbraw/zinc/32/83/86/1125328386.db2.gz QPHSHJPPSKYNIU-UHFFFAOYSA-N 0 1 266.388 3.763 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)cc1F)c1ccc[nH]1 ZINC000760243499 1125329221 /nfs/dbraw/zinc/32/92/21/1125329221.db2.gz OHDGRLSBCUVHIQ-NXEZZACHSA-N 0 1 250.292 3.705 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)Cc1ncccn1 ZINC000192043847 1125330644 /nfs/dbraw/zinc/33/06/44/1125330644.db2.gz LEHPPSOHSWMYEA-KRWDZBQOSA-N 0 1 283.419 3.628 20 0 CHADMN CC1(C)CN(C[C@H]2CCC(C)(C)O2)[C@@H]1c1ccco1 ZINC000639926656 1125335035 /nfs/dbraw/zinc/33/50/35/1125335035.db2.gz ANAMRIREVMXNME-TZMCWYRMSA-N 0 1 263.381 3.620 20 0 CHADMN C[C@H](CN(C)Cc1nccn1C(F)F)c1ccccc1 ZINC000170774865 1125345812 /nfs/dbraw/zinc/34/58/12/1125345812.db2.gz YNVGLTVQFRWRDD-GFCCVEGCSA-N 0 1 279.334 3.514 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CC[C@@H](c2nccs2)C1 ZINC000882859260 1125359320 /nfs/dbraw/zinc/35/93/20/1125359320.db2.gz AJVSFMXVISRBJG-LLVKDONJSA-N 0 1 299.374 3.824 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2ccsc2)s1 ZINC000309532549 1125361808 /nfs/dbraw/zinc/36/18/08/1125361808.db2.gz DMELWFDYKGYSAE-RKDXNWHRSA-N 0 1 252.408 3.925 20 0 CHADMN CC[C@H](NCc1nc(C(C)C)c[nH]1)c1ccccc1 ZINC000882942178 1125363652 /nfs/dbraw/zinc/36/36/52/1125363652.db2.gz RWIGVBZIPRGVCD-AWEZNQCLSA-N 0 1 257.381 3.774 20 0 CHADMN CC[C@@H](NCc1nc2c(s1)CCC2)c1ccccc1 ZINC000666410795 1125364642 /nfs/dbraw/zinc/36/46/42/1125364642.db2.gz AWMDPWOKYHUOKK-CYBMUJFWSA-N 0 1 272.417 3.873 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1ccc(F)cc1 ZINC000584572346 1125368084 /nfs/dbraw/zinc/36/80/84/1125368084.db2.gz QERBPJLTGJSTAR-CYBMUJFWSA-N 0 1 255.336 3.773 20 0 CHADMN CC1(C)CCCN1Cc1coc(-c2cccs2)n1 ZINC000170872794 1125371053 /nfs/dbraw/zinc/37/10/53/1125371053.db2.gz JBZUENZKNOEKEL-UHFFFAOYSA-N 0 1 262.378 3.778 20 0 CHADMN Brc1cncc(CN2CCC[C@H]2C2CCC2)c1 ZINC000170872404 1125371130 /nfs/dbraw/zinc/37/11/30/1125371130.db2.gz RDSDRDAJYFPNHQ-AWEZNQCLSA-N 0 1 295.224 3.609 20 0 CHADMN CC(C)c1c[nH]c(CNC[C@H]2CCC3(CCCCC3)O2)n1 ZINC000883102386 1125371956 /nfs/dbraw/zinc/37/19/56/1125371956.db2.gz OPBUDVBFBHGGEK-CQSZACIVSA-N 0 1 291.439 3.505 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnn(C)c1)c1sccc1Cl ZINC000883191733 1125376093 /nfs/dbraw/zinc/37/60/93/1125376093.db2.gz IHZRYQSEATYGLP-JOYOIKCWSA-N 0 1 283.828 3.937 20 0 CHADMN c1[nH]nc2cc(NCc3cccc4cnccc43)ccc12 ZINC000061125275 1125377074 /nfs/dbraw/zinc/37/70/74/1125377074.db2.gz ATMPCJLKEDMYBG-UHFFFAOYSA-N 0 1 274.327 3.723 20 0 CHADMN CCSc1ccc(CNCc2ccncc2F)cc1 ZINC000883235991 1125381873 /nfs/dbraw/zinc/38/18/73/1125381873.db2.gz OVZXTCZAFKQTRU-UHFFFAOYSA-N 0 1 276.380 3.623 20 0 CHADMN CC(C)c1nc(CN2C[C@@H](C)C[C@H]2c2ccccc2)n[nH]1 ZINC000428939548 1125382644 /nfs/dbraw/zinc/38/26/44/1125382644.db2.gz AGBUHFSZZMKVPN-ZFWWWQNUSA-N 0 1 284.407 3.511 20 0 CHADMN COc1ccc(C2CC2)cc1CNCc1ccc(C)nc1 ZINC000883257456 1125386382 /nfs/dbraw/zinc/38/63/82/1125386382.db2.gz BQLRBDOTKDUILA-UHFFFAOYSA-N 0 1 282.387 3.566 20 0 CHADMN CC(C)(CN[C@H](c1ncc[nH]1)c1ccccc1)CC(F)F ZINC000883259452 1125387287 /nfs/dbraw/zinc/38/72/87/1125387287.db2.gz NBWKQCTXHFEORF-AWEZNQCLSA-N 0 1 293.361 3.770 20 0 CHADMN CC1(C)C[C@@]1(C)CN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000883261253 1125387810 /nfs/dbraw/zinc/38/78/10/1125387810.db2.gz WEBHVMCCNGUBRP-PBHICJAKSA-N 0 1 269.392 3.525 20 0 CHADMN CC[C@@H](NCc1cc(C2CC2)ccc1OC)c1cnn(C)c1 ZINC000883265650 1125388706 /nfs/dbraw/zinc/38/87/06/1125388706.db2.gz HGPJNEWLYJKCBX-QGZVFWFLSA-N 0 1 299.418 3.547 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3cc(F)ccc32)c(Cl)n1 ZINC000883301389 1125391902 /nfs/dbraw/zinc/39/19/02/1125391902.db2.gz YSCKZYZPICBTAX-OAHLLOKOSA-N 0 1 290.769 3.960 20 0 CHADMN C[C@H](N(C)CC(=O)c1c[nH]c2ccccc12)C(C)(C)C ZINC000042773697 1125392926 /nfs/dbraw/zinc/39/29/26/1125392926.db2.gz XNEXMMZJNLQYBO-LBPRGKRZSA-N 0 1 272.392 3.717 20 0 CHADMN CC(C)CCC[C@@H](C)NC1(c2ncccn2)CCC1 ZINC000883313542 1125393668 /nfs/dbraw/zinc/39/36/68/1125393668.db2.gz GYHHWVCLKCNECH-CQSZACIVSA-N 0 1 261.413 3.660 20 0 CHADMN CCCCCC[C@@H](C)NC1(c2ncccn2)CCC1 ZINC000883314187 1125394308 /nfs/dbraw/zinc/39/43/08/1125394308.db2.gz XXCMUWQJCPRXGO-CQSZACIVSA-N 0 1 261.413 3.804 20 0 CHADMN CC(C)C1CCC(NC2(c3ncccn3)CCC2)CC1 ZINC000883313965 1125394426 /nfs/dbraw/zinc/39/44/26/1125394426.db2.gz RGXJWIHSZOPIGL-UHFFFAOYSA-N 0 1 273.424 3.660 20 0 CHADMN Cc1c[nH]nc1CNC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000883324158 1125396137 /nfs/dbraw/zinc/39/61/37/1125396137.db2.gz LHZBQVABMKMDJV-UHFFFAOYSA-N 0 1 297.324 3.762 20 0 CHADMN COc1cccc2c1OCCC[C@H]2N[C@@H](C)c1cccnc1 ZINC000883330402 1125396923 /nfs/dbraw/zinc/39/69/23/1125396923.db2.gz DTFZTGDTNVMRNN-XJKSGUPXSA-N 0 1 298.386 3.655 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CC[C@H]1CCCC1(F)F ZINC000883407843 1125409510 /nfs/dbraw/zinc/40/95/10/1125409510.db2.gz GSHKWSUOZWRIGV-CHWSQXEVSA-N 0 1 289.366 3.531 20 0 CHADMN CC(C)Oc1cccc(CN2CCOC3(CCCC3)C2)c1 ZINC000532538021 1125410021 /nfs/dbraw/zinc/41/00/21/1125410021.db2.gz LZTDAVRBNGTTDU-UHFFFAOYSA-N 0 1 289.419 3.619 20 0 CHADMN O=c1[nH]c2ccccc2cc1CN(Cc1ccco1)C1CC1 ZINC001137188770 1125410175 /nfs/dbraw/zinc/41/01/75/1125410175.db2.gz PPMLOFBXABYARA-UHFFFAOYSA-N 0 1 294.354 3.698 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@H](CO)c1ccccc1C ZINC000532550986 1125411081 /nfs/dbraw/zinc/41/10/81/1125411081.db2.gz LDBMZMCCPZQTQD-CRAIPNDOSA-N 0 1 299.414 3.778 20 0 CHADMN CC(C)(C)n1cc(CN[C@@H]2c3ccccc3NC2(C)C)cn1 ZINC000883464232 1125411123 /nfs/dbraw/zinc/41/11/23/1125411123.db2.gz IMROMVDEKKRYHH-MRXNPFEDSA-N 0 1 298.434 3.673 20 0 CHADMN CC(C)CCCCCCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000132063057 1125414211 /nfs/dbraw/zinc/41/42/11/1125414211.db2.gz QUGKNFYZAVLRSR-CQSZACIVSA-N 0 1 291.439 3.552 20 0 CHADMN Cc1ccc2nc(N)n(-c3cccc4nc(C)ccc43)c2c1 ZINC001212795286 1125415473 /nfs/dbraw/zinc/41/54/73/1125415473.db2.gz ZBKWIFYVLDDGKQ-UHFFFAOYSA-N 0 1 288.354 3.773 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1cc(F)ccc1F ZINC000126325533 1125454131 /nfs/dbraw/zinc/45/41/31/1125454131.db2.gz XYNMSIAIWITQPW-SNVBAGLBSA-N 0 1 259.365 3.538 20 0 CHADMN CC1CCC([N@H+]2CCc3nc(Cl)ccc3C2)CC1 ZINC001168219580 1125418790 /nfs/dbraw/zinc/41/87/90/1125418790.db2.gz KWGKCVOHRLPPRD-UHFFFAOYSA-N 0 1 264.800 3.672 20 0 CHADMN CCc1nocc1CN1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000508663729 1125420198 /nfs/dbraw/zinc/42/01/98/1125420198.db2.gz HQFQOFBSMRIQEU-SJCJKPOMSA-N 0 1 288.366 3.959 20 0 CHADMN CCc1cc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)n[nH]1 ZINC000032354027 1125420910 /nfs/dbraw/zinc/42/09/10/1125420910.db2.gz PWYQLNYXDULBGA-NSHDSACASA-N 0 1 297.358 3.552 20 0 CHADMN CCCCc1nc(CSc2nc(C3CC3)n[nH]2)cs1 ZINC000032331048 1125420942 /nfs/dbraw/zinc/42/09/42/1125420942.db2.gz GWXAJXNIIAUFRI-UHFFFAOYSA-N 0 1 294.449 3.774 20 0 CHADMN CCCCc1nc(CSc2n[nH]c(C3CC3)n2)cs1 ZINC000032331048 1125420944 /nfs/dbraw/zinc/42/09/44/1125420944.db2.gz GWXAJXNIIAUFRI-UHFFFAOYSA-N 0 1 294.449 3.774 20 0 CHADMN CC(C)OCCNCc1ccc(Cl)cc1Cl ZINC000132728034 1125421431 /nfs/dbraw/zinc/42/14/31/1125421431.db2.gz GYKPTQZIXBAYBM-UHFFFAOYSA-N 0 1 262.180 3.508 20 0 CHADMN CO[C@@]1(C)CCCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000348232499 1125422881 /nfs/dbraw/zinc/42/28/81/1125422881.db2.gz QCNXWFMVRCJPRA-ABAIWWIYSA-N 0 1 269.335 3.527 20 0 CHADMN O=C(C=CC1CCCC1)Nc1cccc(-c2ncc[nH]2)c1 ZINC000843788659 1125424119 /nfs/dbraw/zinc/42/41/19/1125424119.db2.gz GUUFGNUIDLWHIA-CMDGGOBGSA-N 0 1 281.359 3.762 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000119620974 1125427258 /nfs/dbraw/zinc/42/72/58/1125427258.db2.gz IKUQQFDISNVKAI-KBPBESRZSA-N 0 1 289.423 3.540 20 0 CHADMN Cc1cccc2ncc(C[N@@H+](C)C/C=C/c3ccccc3)n21 ZINC001137197732 1125428568 /nfs/dbraw/zinc/42/85/68/1125428568.db2.gz JBNOWXIDKUJWOC-YRNVUSSQSA-N 0 1 291.398 3.788 20 0 CHADMN Cc1cccc2ncc(CN(C)C/C=C/c3ccccc3)n21 ZINC001137197732 1125428569 /nfs/dbraw/zinc/42/85/69/1125428569.db2.gz JBNOWXIDKUJWOC-YRNVUSSQSA-N 0 1 291.398 3.788 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1Cc1nc(C(C)(C)C)no1 ZINC000532622729 1125428804 /nfs/dbraw/zinc/42/88/04/1125428804.db2.gz BVRMIUZLFCZCGY-QWHCGFSZSA-N 0 1 279.428 3.768 20 0 CHADMN Cc1cc(CN2C[C@H](C)O[C@@H](C3CC3)C2)c2ccccc2n1 ZINC000348248963 1125431921 /nfs/dbraw/zinc/43/19/21/1125431921.db2.gz XDSSHGQBPFWADD-IFXJQAMLSA-N 0 1 296.414 3.543 20 0 CHADMN C[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccccn2)n1 ZINC000124167489 1125435156 /nfs/dbraw/zinc/43/51/56/1125435156.db2.gz XDCMDFOPIZUGPJ-GFCCVEGCSA-N 0 1 273.405 3.580 20 0 CHADMN C[C@@H]1CCCCN1Cc1csc(-c2ccccn2)n1 ZINC000124167489 1125435157 /nfs/dbraw/zinc/43/51/57/1125435157.db2.gz XDCMDFOPIZUGPJ-GFCCVEGCSA-N 0 1 273.405 3.580 20 0 CHADMN C[C@H](NCc1nc2cccnc2s1)c1cccs1 ZINC000348254988 1125442975 /nfs/dbraw/zinc/44/29/75/1125442975.db2.gz KIDWWDNVMRQXIT-VIFPVBQESA-N 0 1 275.402 3.604 20 0 CHADMN COc1ccnc(CN(Cc2ccco2)C2CCCC2)c1 ZINC000106933608 1125446455 /nfs/dbraw/zinc/44/64/55/1125446455.db2.gz WGACTBQBMIPUAK-UHFFFAOYSA-N 0 1 286.375 3.628 20 0 CHADMN Cc1nnsc1CN[C@H]1CCC(C)(C)c2ccccc21 ZINC000293670601 1129179636 /nfs/dbraw/zinc/17/96/36/1129179636.db2.gz MNYRMKCLJGLZHY-AWEZNQCLSA-N 0 1 287.432 3.749 20 0 CHADMN c1cc(CN2C[C@@H]3CCCC[C@@H]32)n(CCc2ccccc2)n1 ZINC000621731819 1129187526 /nfs/dbraw/zinc/18/75/26/1129187526.db2.gz ARANKVIDWQINFE-HKUYNNGSSA-N 0 1 295.430 3.500 20 0 CHADMN CCCc1ccc(CN2CC3(CC(F)C3)C2)s1 ZINC000621730872 1129187689 /nfs/dbraw/zinc/18/76/89/1129187689.db2.gz XNHRQAZBEPQUFP-UHFFFAOYSA-N 0 1 253.386 3.635 20 0 CHADMN FC(F)[C@H](CCc1ccccc1)NCC[C@@H]1CC1(F)F ZINC000621734425 1129188689 /nfs/dbraw/zinc/18/86/89/1129188689.db2.gz MQNZNCOVJYIKTH-OLZOCXBDSA-N 0 1 289.316 3.888 20 0 CHADMN CCC(N)=NOCc1nc(-c2ccc(C)cc2)cs1 ZINC000795205199 1129188645 /nfs/dbraw/zinc/18/86/45/1129188645.db2.gz HDORJBCJQLDFBA-UHFFFAOYSA-N 0 1 275.377 3.527 20 0 CHADMN Cc1nc[nH]c1C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 ZINC000635861241 1129192871 /nfs/dbraw/zinc/19/28/71/1129192871.db2.gz DAXDDXYCZBRCSM-CYBMUJFWSA-N 0 1 283.375 3.508 20 0 CHADMN Cc1nc[nH]c1C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 ZINC000635861249 1129192925 /nfs/dbraw/zinc/19/29/25/1129192925.db2.gz DAXDDXYCZBRCSM-ZDUSSCGKSA-N 0 1 283.375 3.508 20 0 CHADMN Cc1[nH]ncc1CN(C)C(=O)c1cc2cccc(C)c2s1 ZINC000636069648 1129197978 /nfs/dbraw/zinc/19/79/78/1129197978.db2.gz WOMYRRLKCLWGJU-UHFFFAOYSA-N 0 1 299.399 3.513 20 0 CHADMN Cc1coc(CN[C@H]2CCSc3ccccc32)c1 ZINC000718146658 1129206860 /nfs/dbraw/zinc/20/68/60/1129206860.db2.gz UHTJQUULXXDEIK-AWEZNQCLSA-N 0 1 259.374 3.915 20 0 CHADMN CCCC[C@H](C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1)C(C)C ZINC000621935799 1129206990 /nfs/dbraw/zinc/20/69/90/1129206990.db2.gz JHDHLLPLNFQSLU-STQMWFEESA-N 0 1 294.443 3.568 20 0 CHADMN C[C@H]1C[C@H](NCc2cccc3ccccc32)c2nccn21 ZINC000294076378 1129212907 /nfs/dbraw/zinc/21/29/07/1129212907.db2.gz LEHUAFODDOUONN-GUYCJALGSA-N 0 1 277.371 3.832 20 0 CHADMN CCCOc1cc(F)ccc1CN1CCC(C)(OC)CC1 ZINC001237903698 1129213200 /nfs/dbraw/zinc/21/32/00/1129213200.db2.gz OAVODZQJDSIXOI-UHFFFAOYSA-N 0 1 295.398 3.615 20 0 CHADMN Cc1cc([C@H](C)NCc2conc2C)c(C)s1 ZINC000294106323 1129213719 /nfs/dbraw/zinc/21/37/19/1129213719.db2.gz MPXPDDPLKUFUKR-JTQLQIEISA-N 0 1 250.367 3.512 20 0 CHADMN CC[C@H](C)[C@H](CN[C@H](c1ccccc1)c1ccccn1)OC ZINC000294349958 1129215169 /nfs/dbraw/zinc/21/51/69/1129215169.db2.gz ZDBUCVWLGUHQSA-ZYSHUDEJSA-N 0 1 298.430 3.822 20 0 CHADMN CO[C@H]1CC=C(Nc2cnc(-c3ccccc3)cn2)CC1 ZINC001212871848 1129217144 /nfs/dbraw/zinc/21/71/44/1129217144.db2.gz DMOVXQPADIQCCP-HNNXBMFYSA-N 0 1 281.359 3.638 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C(F)F)nc2)cc1 ZINC000637840182 1129232690 /nfs/dbraw/zinc/23/26/90/1129232690.db2.gz DFDAEMOBHBOTBC-UHFFFAOYSA-N 0 1 292.329 3.660 20 0 CHADMN Cc1ncc([C@@H](C)N(C)[C@@H](C)c2ccc(F)cc2)c(C)n1 ZINC000637880291 1129232958 /nfs/dbraw/zinc/23/29/58/1129232958.db2.gz IBHMXSFRYINTFV-QWHCGFSZSA-N 0 1 287.382 3.987 20 0 CHADMN C[C@H](c1ccccc1)N(C)[C@H](c1nccn1C)C1CC1 ZINC000637870200 1129233473 /nfs/dbraw/zinc/23/34/73/1129233473.db2.gz COTYLSIDWQGTFS-CJNGLKHVSA-N 0 1 269.392 3.564 20 0 CHADMN Cc1ncc([C@H](C)N(Cc2ccccc2)C2CC2)c(C)n1 ZINC000637888630 1129234867 /nfs/dbraw/zinc/23/48/67/1129234867.db2.gz JZJNSSOUOSEPFB-AWEZNQCLSA-N 0 1 281.403 3.819 20 0 CHADMN CCN(Cc1ccc(C)cc1)[C@@H](c1nccn1C)C1CC1 ZINC000637909465 1129235909 /nfs/dbraw/zinc/23/59/09/1129235909.db2.gz FGLMFYBUFAPHDA-QGZVFWFLSA-N 0 1 283.419 3.702 20 0 CHADMN CCN([C@@H](C)c1cccc(O)c1)[C@@H](C)c1cnc(C)nc1C ZINC000637948922 1129237782 /nfs/dbraw/zinc/23/77/82/1129237782.db2.gz SEXWPGVMCGKBJR-KBPBESRZSA-N 0 1 299.418 3.943 20 0 CHADMN CCN([C@H](C)c1cnc(C)nc1C)[C@@H](C)c1cccc(O)c1 ZINC000637948929 1129238371 /nfs/dbraw/zinc/23/83/71/1129238371.db2.gz SEXWPGVMCGKBJR-UONOGXRCSA-N 0 1 299.418 3.943 20 0 CHADMN Cc1cccc([C@@H]2CCCN2[C@@H](C)c2cnc(C)nc2C)n1 ZINC000638087642 1129242856 /nfs/dbraw/zinc/24/28/56/1129242856.db2.gz CWXKVPJOHBDKFE-KSSFIOAISA-N 0 1 296.418 3.695 20 0 CHADMN O=C(Nc1ccc(F)cc1)c1cccc(C(F)(F)F)c1O ZINC000622273519 1129243273 /nfs/dbraw/zinc/24/32/73/1129243273.db2.gz RVQRBYPHTNPGHS-UHFFFAOYSA-N 0 1 299.223 3.802 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2cccnc2F)c1 ZINC001138783476 1129249260 /nfs/dbraw/zinc/24/92/60/1129249260.db2.gz RSMMGGHLKXGXID-INIZCTEOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cc(CN)oc1C(=O)N1CCC[C@H](C)c2ccccc21 ZINC000638285522 1129252854 /nfs/dbraw/zinc/25/28/54/1129252854.db2.gz HPNRBBHBLKHWFW-LBPRGKRZSA-N 0 1 298.386 3.591 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2NCc1cc(C2CC2)no1 ZINC000638449723 1129259425 /nfs/dbraw/zinc/25/94/25/1129259425.db2.gz VTHMNNOGHZPDHH-QGZVFWFLSA-N 0 1 298.386 3.728 20 0 CHADMN C/C=C(/C)C(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000089970461 1129262573 /nfs/dbraw/zinc/26/25/73/1129262573.db2.gz UPGGBNPEDIVHEN-USYJTPIQSA-N 0 1 278.739 3.787 20 0 CHADMN COc1ncc(CN[C@@H](C)c2cccc(C)c2C)s1 ZINC000638598544 1129263600 /nfs/dbraw/zinc/26/36/00/1129263600.db2.gz GLELSSSCELFSIW-LBPRGKRZSA-N 0 1 276.405 3.619 20 0 CHADMN CCC(CC)c1cc(CN[C@@H](C)[C@H]2CC2(F)F)on1 ZINC000638688562 1129266128 /nfs/dbraw/zinc/26/61/28/1129266128.db2.gz GVDMNIJXDCGYQT-JOYOIKCWSA-N 0 1 272.339 3.712 20 0 CHADMN CCCCN(C)Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000282554541 1129272088 /nfs/dbraw/zinc/27/20/88/1129272088.db2.gz SBAFXLSUCVQLHO-UHFFFAOYSA-N 0 1 299.440 3.722 20 0 CHADMN OC[C@H](NCc1cccc(C(F)F)c1)c1ccsc1 ZINC000348025808 1129274544 /nfs/dbraw/zinc/27/45/44/1129274544.db2.gz CXFONNVYLZEQAT-ZDUSSCGKSA-N 0 1 283.343 3.509 20 0 CHADMN C[C@H](c1ccccn1)N(C)[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000638922940 1129274740 /nfs/dbraw/zinc/27/47/40/1129274740.db2.gz NFYNZIDZMRQOMD-CZUORRHYSA-N 0 1 299.422 3.514 20 0 CHADMN COC1CCC(=Nc2cc(C(F)(F)F)cnc2F)CC1 ZINC001212877906 1129274807 /nfs/dbraw/zinc/27/48/07/1129274807.db2.gz AAWBITILYRYYDN-JTQLQIEISA-N 0 1 290.260 3.734 20 0 CHADMN Cc1ccc2[nH]c(CN[C@H]3CCc4ccccc43)nc2c1 ZINC000348033526 1129275256 /nfs/dbraw/zinc/27/52/56/1129275256.db2.gz AOJFQKYHACMRCT-HNNXBMFYSA-N 0 1 277.371 3.648 20 0 CHADMN Cc1ccc2nc(CN[C@H]3CCc4ccccc43)[nH]c2c1 ZINC000348033526 1129275260 /nfs/dbraw/zinc/27/52/60/1129275260.db2.gz AOJFQKYHACMRCT-HNNXBMFYSA-N 0 1 277.371 3.648 20 0 CHADMN O=C(c1cccc2[nH]ncc21)N1CCCCc2ccccc21 ZINC000348077137 1129277513 /nfs/dbraw/zinc/27/75/13/1129277513.db2.gz JFAJSMOQMBCSLU-UHFFFAOYSA-N 0 1 291.354 3.546 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1cccc(F)c1N ZINC000639065447 1129279319 /nfs/dbraw/zinc/27/93/19/1129279319.db2.gz HIDRJNFNOFLDQX-MWLCHTKSSA-N 0 1 290.304 3.571 20 0 CHADMN COc1cc(CNCc2cccc(C(C)C)c2)sn1 ZINC000639061256 1129279617 /nfs/dbraw/zinc/27/96/17/1129279617.db2.gz WHRKTKORAYZWES-UHFFFAOYSA-N 0 1 276.405 3.565 20 0 CHADMN Cc1cccc2c1CN(Cc1ccc(C(F)F)nc1)CC2 ZINC000639102760 1129281875 /nfs/dbraw/zinc/28/18/75/1129281875.db2.gz FMSCWQURGJZVJJ-UHFFFAOYSA-N 0 1 288.341 3.886 20 0 CHADMN CCC(O)(CC)C[N@@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000626110831 1129281997 /nfs/dbraw/zinc/28/19/97/1129281997.db2.gz SHPXJMBAPIHFKK-GFCCVEGCSA-N 0 1 282.428 3.516 20 0 CHADMN C[C@@H](NC(C)(C)C(F)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000639119909 1129284187 /nfs/dbraw/zinc/28/41/87/1129284187.db2.gz MNMLEGKVXCZJER-WXHSDQCUSA-N 0 1 253.336 3.812 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1cccc(F)c1N ZINC000639135667 1129286063 /nfs/dbraw/zinc/28/60/63/1129286063.db2.gz GVLGTKMGVRUONX-NSHDSACASA-N 0 1 290.407 3.981 20 0 CHADMN COc1ncc(CN[C@H](C)c2ccccc2SC)s1 ZINC000639158439 1129287691 /nfs/dbraw/zinc/28/76/91/1129287691.db2.gz UGYQLZFWFVMAPG-SNVBAGLBSA-N 0 1 294.445 3.724 20 0 CHADMN Cc1ccccc1C[C@H]1CCCN1Cn1cc(Cl)cn1 ZINC000734146830 1129297124 /nfs/dbraw/zinc/29/71/24/1129297124.db2.gz QRARLOTVCWRJAE-MRXNPFEDSA-N 0 1 289.810 3.510 20 0 CHADMN Cc1c(Br)cccc1CNCc1ccns1 ZINC000639312988 1129301362 /nfs/dbraw/zinc/30/13/62/1129301362.db2.gz PQQXQDVADWWJCJ-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN FC(F)(F)c1cccc2c1CN(CCC[C@H]1CCO1)CC2 ZINC000639353466 1129305523 /nfs/dbraw/zinc/30/55/23/1129305523.db2.gz UUNCMRCVKGCBPE-ZDUSSCGKSA-N 0 1 299.336 3.633 20 0 CHADMN CC[C@@](C)(NCc1cnc(OC)s1)c1ccc(F)cc1 ZINC000639360081 1129306427 /nfs/dbraw/zinc/30/64/27/1129306427.db2.gz SQSNXTVSDCASTF-OAHLLOKOSA-N 0 1 294.395 3.706 20 0 CHADMN c1nc(C2CC2)sc1CN1CC(c2ccccc2)C1 ZINC000639361931 1129306960 /nfs/dbraw/zinc/30/69/60/1129306960.db2.gz ZCNCLLQXMYMQMO-UHFFFAOYSA-N 0 1 270.401 3.620 20 0 CHADMN O[C@H]1CCN(Cc2ccccc2F)[C@H](c2ccccc2)C1 ZINC000639365997 1129307860 /nfs/dbraw/zinc/30/78/60/1129307860.db2.gz HVIKAHUGYKAATE-WMZOPIPTSA-N 0 1 285.362 3.524 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1cc(C2CC2)no1 ZINC000639389831 1129309813 /nfs/dbraw/zinc/30/98/13/1129309813.db2.gz RSONUGAZEOYTEP-GFCCVEGCSA-N 0 1 256.349 3.711 20 0 CHADMN COc1ccc([C@H](C)NCc2c(C)cccc2F)cc1 ZINC000766211994 1129313945 /nfs/dbraw/zinc/31/39/45/1129313945.db2.gz DZFXSPFHGVMPCW-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN c1ccc(C[C@H]2CCCN2Cc2nc(C3CCC3)no2)cc1 ZINC000639438353 1129314125 /nfs/dbraw/zinc/31/41/25/1129314125.db2.gz JWSJXRBAXQMPPY-MRXNPFEDSA-N 0 1 297.402 3.544 20 0 CHADMN FC(F)(F)c1ccccc1-c1nc(CN2CCCC2)co1 ZINC000639443971 1129315577 /nfs/dbraw/zinc/31/55/77/1129315577.db2.gz ZYPYITLAYDEVAS-UHFFFAOYSA-N 0 1 296.292 3.956 20 0 CHADMN COc1cccc(-c2nc(C[N@H+]3CCC4(CCC4)C3)co2)c1 ZINC000639516320 1129320647 /nfs/dbraw/zinc/32/06/47/1129320647.db2.gz QYPOVEUKMNZLEU-UHFFFAOYSA-N 0 1 298.386 3.726 20 0 CHADMN COc1cccc(-c2nc(CN3CCC4(CCC4)C3)co2)c1 ZINC000639516320 1129320651 /nfs/dbraw/zinc/32/06/51/1129320651.db2.gz QYPOVEUKMNZLEU-UHFFFAOYSA-N 0 1 298.386 3.726 20 0 CHADMN CC(C)(C)C1CCN(Cn2nccc2-c2cccnc2)CC1 ZINC000734829027 1129323512 /nfs/dbraw/zinc/32/35/12/1129323512.db2.gz FMJJXNQOAYIFOM-UHFFFAOYSA-N 0 1 298.434 3.661 20 0 CHADMN COc1ccccc1-c1ccc([C@H](C)NCC(C)=O)cc1 ZINC000639566543 1129323538 /nfs/dbraw/zinc/32/35/38/1129323538.db2.gz TWSJDAMWQLVGOA-AWEZNQCLSA-N 0 1 283.371 3.602 20 0 CHADMN C[C@H](c1ccccc1)[C@H](C)NCc1nc(C2CCC2)no1 ZINC000639570547 1129324438 /nfs/dbraw/zinc/32/44/38/1129324438.db2.gz POCAOMPDFRXGMB-STQMWFEESA-N 0 1 285.391 3.619 20 0 CHADMN CC(=O)CN[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000639579080 1129324866 /nfs/dbraw/zinc/32/48/66/1129324866.db2.gz AVYOTQFNKPDPLB-GFCCVEGCSA-N 0 1 288.416 3.667 20 0 CHADMN CC(=O)CN[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000639629159 1129326587 /nfs/dbraw/zinc/32/65/87/1129326587.db2.gz RCSJLHWEMCSFMA-OAHLLOKOSA-N 0 1 283.371 3.505 20 0 CHADMN CC(C)c1n[nH]c(COC(=O)C[C@@H]2CCCCC2(C)C)n1 ZINC000795480049 1129327981 /nfs/dbraw/zinc/32/79/81/1129327981.db2.gz MJMKGHQCSCQCOI-LBPRGKRZSA-N 0 1 293.411 3.578 20 0 CHADMN CC(C)c1nc(COC(=O)C[C@@H]2CCCCC2(C)C)n[nH]1 ZINC000795480049 1129327986 /nfs/dbraw/zinc/32/79/86/1129327986.db2.gz MJMKGHQCSCQCOI-LBPRGKRZSA-N 0 1 293.411 3.578 20 0 CHADMN Cc1ccc(CC(C)(C)NCc2nc(C3CCC3)no2)cc1 ZINC000639674156 1129328837 /nfs/dbraw/zinc/32/88/37/1129328837.db2.gz REPIVHBRCVCEKR-UHFFFAOYSA-N 0 1 299.418 3.756 20 0 CHADMN c1ccc2oc(C[N@H+]3CCC[C@H](c4cccnc4)C3)nc2c1 ZINC000639697910 1129330260 /nfs/dbraw/zinc/33/02/60/1129330260.db2.gz IJZLHJFSXNEAMX-HNNXBMFYSA-N 0 1 293.370 3.602 20 0 CHADMN c1ccc2oc(CN3CCC[C@H](c4cccnc4)C3)nc2c1 ZINC000639697910 1129330264 /nfs/dbraw/zinc/33/02/64/1129330264.db2.gz IJZLHJFSXNEAMX-HNNXBMFYSA-N 0 1 293.370 3.602 20 0 CHADMN COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639777164 1129332995 /nfs/dbraw/zinc/33/29/95/1129332995.db2.gz TUFFZVUMGDHYDQ-QGZVFWFLSA-N 0 1 299.418 3.879 20 0 CHADMN COc1ccc(C(C)C)cc1CN1CCC[C@@H]1c1cn[nH]c1 ZINC000639777164 1129332998 /nfs/dbraw/zinc/33/29/98/1129332998.db2.gz TUFFZVUMGDHYDQ-QGZVFWFLSA-N 0 1 299.418 3.879 20 0 CHADMN Cc1ccc2ncc(C[N@H+]3CCC[C@H]3c3cn[nH]c3)cc2c1 ZINC000639775928 1129333232 /nfs/dbraw/zinc/33/32/32/1129333232.db2.gz HUKMIHPHHOTMBJ-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1ccc2ncc(CN3CCC[C@H]3c3cn[nH]c3)cc2c1 ZINC000639775928 1129333237 /nfs/dbraw/zinc/33/32/37/1129333237.db2.gz HUKMIHPHHOTMBJ-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN C(=C/c1ccccc1)\CCN1CCC[C@@H]1c1ncccn1 ZINC000639868413 1129337198 /nfs/dbraw/zinc/33/71/98/1129337198.db2.gz LVVLGFQPKGGVQC-PEJPJJPESA-N 0 1 279.387 3.717 20 0 CHADMN CCCCC[C@@H](CC)NCc1ncc(Cl)cn1 ZINC001258432128 1129341506 /nfs/dbraw/zinc/34/15/06/1129341506.db2.gz MMVKIFIKYDIPFL-GFCCVEGCSA-N 0 1 255.793 3.579 20 0 CHADMN Cc1n[nH]cc1CN(C)C/C=C\c1ccc(Cl)cc1 ZINC000639971078 1129342614 /nfs/dbraw/zinc/34/26/14/1129342614.db2.gz MUHFERHBTAFWCZ-ARJAWSKDSA-N 0 1 275.783 3.517 20 0 CHADMN COc1ccc(C(C)C)cc1CN[C@@H]1CCCn2nccc21 ZINC000640221214 1129351532 /nfs/dbraw/zinc/35/15/32/1129351532.db2.gz UWBZREFNTRPFDS-MRXNPFEDSA-N 0 1 299.418 3.640 20 0 CHADMN Cc1nnc([C@H](C)N(C)C[C@H](C)C(C)(C)C)s1 ZINC000640350878 1129355670 /nfs/dbraw/zinc/35/56/70/1129355670.db2.gz UUKUHIVSJUJDJI-UWVGGRQHSA-N 0 1 255.431 3.522 20 0 CHADMN CCOc1ccc2nc(SCCSCC)[nH]c2c1 ZINC000735794475 1129358981 /nfs/dbraw/zinc/35/89/81/1129358981.db2.gz PRJMYPWICBFWEK-UHFFFAOYSA-N 0 1 282.434 3.807 20 0 CHADMN O[C@@H](CN1CC(C2CCCC2)C1)c1ccc(F)cc1Cl ZINC000795552780 1129362055 /nfs/dbraw/zinc/36/20/55/1129362055.db2.gz KIGIHLAUOSFWQP-INIZCTEOSA-N 0 1 297.801 3.635 20 0 CHADMN CCCCC[C@@H]1CCCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000640710175 1129365475 /nfs/dbraw/zinc/36/54/75/1129365475.db2.gz FACDBOHXFPIHCF-LLVKDONJSA-N 0 1 299.365 3.922 20 0 CHADMN CC[C@H](C(=O)O[C@H](C)c1cccc(C)c1)N(CC)CC ZINC000736025399 1129367798 /nfs/dbraw/zinc/36/77/98/1129367798.db2.gz VUDGRYXHHCRKHG-GDBMZVCRSA-N 0 1 277.408 3.720 20 0 CHADMN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCCC2(CC2)CC1 ZINC000626114288 1129370880 /nfs/dbraw/zinc/37/08/80/1129370880.db2.gz APFVAXIENAGFPR-ZDUSSCGKSA-N 0 1 297.402 3.663 20 0 CHADMN CC(C)C[C@H](C)n1cc([C@H](N)c2ccc(Cl)cc2)nn1 ZINC000641095750 1129373901 /nfs/dbraw/zinc/37/39/01/1129373901.db2.gz WINAKULSDGRJKC-XHDPSFHLSA-N 0 1 292.814 3.587 20 0 CHADMN CC1(C)CCC(Cn2cc([C@@H](N)c3ccccc3)nn2)CC1 ZINC000641147952 1129375326 /nfs/dbraw/zinc/37/53/26/1129375326.db2.gz QFRDNHSPOPIDKO-KRWDZBQOSA-N 0 1 298.434 3.543 20 0 CHADMN Cc1cc(CNC(C)(C)c2ccc3ccccc3c2)ncn1 ZINC000626116016 1129378432 /nfs/dbraw/zinc/37/84/32/1129378432.db2.gz NSSUFNONMYQBEF-UHFFFAOYSA-N 0 1 291.398 3.963 20 0 CHADMN CSc1ccc(CN[C@@H](CCCO)c2ccccc2)o1 ZINC000641727190 1129389013 /nfs/dbraw/zinc/38/90/13/1129389013.db2.gz VGCKEXTUZKMJLI-HNNXBMFYSA-N 0 1 291.416 3.605 20 0 CHADMN c1[nH]nc2cc(NCc3nc4c(s3)CCCC4)ccc12 ZINC000641782094 1129392450 /nfs/dbraw/zinc/39/24/50/1129392450.db2.gz HPOSGYWSVNVSRD-UHFFFAOYSA-N 0 1 284.388 3.510 20 0 CHADMN CN(CCCOc1ccccc1)Cc1ccc(F)cc1F ZINC000641855204 1129395475 /nfs/dbraw/zinc/39/54/75/1129395475.db2.gz KAXZCVRCHSMJAU-UHFFFAOYSA-N 0 1 291.341 3.866 20 0 CHADMN CCCCN(CC(=O)N(c1ccccc1)C(C)C)C1CC1 ZINC000642189374 1129409261 /nfs/dbraw/zinc/40/92/61/1129409261.db2.gz DSYFUZSGJCUSSY-UHFFFAOYSA-N 0 1 288.435 3.693 20 0 CHADMN CC(C)[C@H](C)N(C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000642253215 1129411510 /nfs/dbraw/zinc/41/15/10/1129411510.db2.gz PXZLMRGNKSUVLX-NSHDSACASA-N 0 1 293.798 3.866 20 0 CHADMN CC(C)CCO[C@@H]1CCN(Cc2cnc(C(C)C)s2)C1 ZINC000093476038 1129424549 /nfs/dbraw/zinc/42/45/49/1129424549.db2.gz VXPZSQMYEDNNIH-CQSZACIVSA-N 0 1 296.480 3.904 20 0 CHADMN CC[C@H](NCc1noc(-c2cccs2)n1)[C@@H]1CC1(C)C ZINC000642718180 1129424764 /nfs/dbraw/zinc/42/47/64/1129424764.db2.gz OSPRXWGXFBPCFZ-QWRGUYRKSA-N 0 1 291.420 3.712 20 0 CHADMN CC[C@H](C(=O)OCc1cccc(Cl)c1)N(CC)CC ZINC000741033644 1129426850 /nfs/dbraw/zinc/42/68/50/1129426850.db2.gz WZZBIDJMRHTHQS-CQSZACIVSA-N 0 1 283.799 3.504 20 0 CHADMN CC[C@H](OC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000741024418 1129426973 /nfs/dbraw/zinc/42/69/73/1129426973.db2.gz VLEGZYXORQVDJM-DLTWYDFYSA-N 0 1 289.419 3.942 20 0 CHADMN COc1nc(C)cc(C)c1CNCc1cccc(C2CC2)c1 ZINC000643287766 1129435455 /nfs/dbraw/zinc/43/54/55/1129435455.db2.gz JFFWAODWCXOPSL-UHFFFAOYSA-N 0 1 296.414 3.874 20 0 CHADMN Fc1ccc(-c2cccc3[nH]nnc32)cc1C(F)(F)F ZINC001241096233 1129441209 /nfs/dbraw/zinc/44/12/09/1129441209.db2.gz FVMUTRNQBVOKSA-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN O=C(Nc1cccc(-c2nnc[nH]2)c1)C1CCCCCCC1 ZINC000741560822 1129441955 /nfs/dbraw/zinc/44/19/55/1129441955.db2.gz DPHOSRKTSMTMGM-UHFFFAOYSA-N 0 1 298.390 3.771 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@@H]1CCSc2ccccc21 ZINC000180116264 1129451248 /nfs/dbraw/zinc/45/12/48/1129451248.db2.gz WPMURFLCYWDXAI-QMTHXVAHSA-N 0 1 273.405 3.606 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000180127744 1129451357 /nfs/dbraw/zinc/45/13/57/1129451357.db2.gz QVAIMJJBDAGPLY-UWVGGRQHSA-N 0 1 295.333 3.731 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H](C)c1c[nH]nc1C ZINC000180179758 1129456593 /nfs/dbraw/zinc/45/65/93/1129456593.db2.gz WJROXCBVUIDZDR-ABAIWWIYSA-N 0 1 287.407 3.984 20 0 CHADMN O[C@H](CCN1CC[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000795927872 1129457308 /nfs/dbraw/zinc/45/73/08/1129457308.db2.gz PFOZLQITJHBORA-QZTJIDSGSA-N 0 1 285.362 3.696 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1cccc(OCC(C)C)c1 ZINC000180226363 1129462178 /nfs/dbraw/zinc/46/21/78/1129462178.db2.gz LBJFXJKVXKZLGX-CYBMUJFWSA-N 0 1 287.407 3.604 20 0 CHADMN FC(F)(F)c1ccccc1-c1nccc2[nH]cnc21 ZINC001239542221 1131375938 /nfs/dbraw/zinc/37/59/38/1131375938.db2.gz FJPAWQPTXKTBFF-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C[C@H]3CCC(F)(F)C3)ccc12 ZINC000797967796 1129466982 /nfs/dbraw/zinc/46/69/82/1129466982.db2.gz DVWCWXGLCHBWCK-SNVBAGLBSA-N 0 1 293.317 3.635 20 0 CHADMN CCOc1ccccc1[C@H](CC)N[C@@H](C)c1c[nH]nc1C ZINC000180386196 1129471652 /nfs/dbraw/zinc/47/16/52/1129471652.db2.gz BVBUPYBNYWYGJF-LRDDRELGSA-N 0 1 287.407 3.919 20 0 CHADMN CCc1nc(C)c(CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)o1 ZINC000644682387 1129474247 /nfs/dbraw/zinc/47/42/47/1129474247.db2.gz UHQDHYXEDPPRRS-ONGXEEELSA-N 0 1 290.329 3.708 20 0 CHADMN CCc1nc(C)c(CN(C)C(C)(C)c2ccccc2)o1 ZINC000644691810 1129475164 /nfs/dbraw/zinc/47/51/64/1129475164.db2.gz KVOAKHWXRRIASP-UHFFFAOYSA-N 0 1 272.392 3.913 20 0 CHADMN CC(C)[C@H](C(=O)NOCc1ccccc1)c1ccccc1 ZINC000742489553 1129481701 /nfs/dbraw/zinc/48/17/01/1129481701.db2.gz NLIQIUHTMXRMNA-KRWDZBQOSA-N 0 1 283.371 3.674 20 0 CHADMN C[C@H](CN1CCO[C@H](c2ccco2)C1)C1CCCCC1 ZINC000645090904 1129486696 /nfs/dbraw/zinc/48/66/96/1129486696.db2.gz DGLOKRAXQQAVKJ-PBHICJAKSA-N 0 1 277.408 3.869 20 0 CHADMN CCc1ccc(CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)nc1 ZINC000645113683 1129488037 /nfs/dbraw/zinc/48/80/37/1129488037.db2.gz BIVWBPIAZGKNCZ-AAEUAGOBSA-N 0 1 286.341 3.807 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@H]2CCc3ccccc32)c1Cl ZINC000645154704 1129489162 /nfs/dbraw/zinc/48/91/62/1129489162.db2.gz LZDCZVGHUFCKJM-CYBMUJFWSA-N 0 1 287.790 3.865 20 0 CHADMN C[C@H](C[NH2+]Cc1cccc([O-])c1Cl)Oc1ccccc1 ZINC000645155740 1129489666 /nfs/dbraw/zinc/48/96/66/1129489666.db2.gz DWXAFIILDLFSNC-GFCCVEGCSA-N 0 1 291.778 3.603 20 0 CHADMN CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000645172268 1129490331 /nfs/dbraw/zinc/49/03/31/1129490331.db2.gz FQCHAMRXOVYEQK-ZFWWWQNUSA-N 0 1 297.826 3.729 20 0 CHADMN CC(C)(CC(F)(F)F)NCc1cccc(O)c1Cl ZINC000645175050 1129490481 /nfs/dbraw/zinc/49/04/81/1129490481.db2.gz VTKQTTVMURRTSC-UHFFFAOYSA-N 0 1 281.705 3.866 20 0 CHADMN Cc1nc(C)c(CNC(C)(C)c2ccccc2C)o1 ZINC000645197816 1129490996 /nfs/dbraw/zinc/49/09/96/1129490996.db2.gz IZOBSXOKMADQMI-UHFFFAOYSA-N 0 1 258.365 3.625 20 0 CHADMN c1ccc2c(c1)OCC[C@@H]2CNc1cc2c(cn1)CCC2 ZINC000645212694 1129491560 /nfs/dbraw/zinc/49/15/60/1129491560.db2.gz LUFNSLOFSTUTDW-OAHLLOKOSA-N 0 1 280.371 3.549 20 0 CHADMN CCc1nn(C)cc1CN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000180565177 1129492738 /nfs/dbraw/zinc/49/27/38/1129492738.db2.gz FNZFKDAVABVOAR-XJKSGUPXSA-N 0 1 287.407 3.549 20 0 CHADMN CCCC[C@@H](C)N(CCCC)Cc1nc(CC)no1 ZINC000645236627 1129492791 /nfs/dbraw/zinc/49/27/91/1129492791.db2.gz GZEBXAYQNJGIEC-CYBMUJFWSA-N 0 1 267.417 3.813 20 0 CHADMN COC[C@@H]1CCN1[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001258686040 1129496589 /nfs/dbraw/zinc/49/65/89/1129496589.db2.gz UPTNHRVXTJRRHW-MFKMUULPSA-N 0 1 288.218 3.645 20 0 CHADMN FC(F)(F)c1ccccc1-c1cncc2nc[nH]c21 ZINC001239547346 1131378655 /nfs/dbraw/zinc/37/86/55/1131378655.db2.gz DIDHACANXTXXCZ-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN CCN(CCC[C@H]1CCOC1)Cc1c(F)cccc1F ZINC000645789792 1129506374 /nfs/dbraw/zinc/50/63/74/1129506374.db2.gz WLOLVBQRFCUQQO-ZDUSSCGKSA-N 0 1 283.362 3.603 20 0 CHADMN C[C@@H]1CN(CC2=CCCC2)C[C@@H](c2ccccc2)O1 ZINC000645781170 1129506727 /nfs/dbraw/zinc/50/67/27/1129506727.db2.gz ICDQQJLWJUZDDH-PBHICJAKSA-N 0 1 257.377 3.559 20 0 CHADMN C[C@@H]1CO[C@H](c2ccccc2)CN1CC1=CCCC1 ZINC000645791133 1129506856 /nfs/dbraw/zinc/50/68/56/1129506856.db2.gz NBSHCDVRMLOXCL-PBHICJAKSA-N 0 1 257.377 3.559 20 0 CHADMN CC(C)COC[C@H](NCC1=CCCC1)c1ccco1 ZINC000645853366 1129510127 /nfs/dbraw/zinc/51/01/27/1129510127.db2.gz DYECRJFJFOGWRU-HNNXBMFYSA-N 0 1 263.381 3.693 20 0 CHADMN CCCCc1noc(CN(C)C2CCCCCCC2)n1 ZINC000302991760 1129515200 /nfs/dbraw/zinc/51/52/00/1129515200.db2.gz GBVJPIGHNQDSEE-UHFFFAOYSA-N 0 1 279.428 3.957 20 0 CHADMN CN1CC=C(c2ccc(OC(F)(F)F)c(F)c2F)CC1 ZINC001241322459 1129515285 /nfs/dbraw/zinc/51/52/85/1129515285.db2.gz OGGVZBCEQCVDGH-UHFFFAOYSA-N 0 1 293.235 3.582 20 0 CHADMN CCOc1cccc(CNC2(c3ccccc3C)CC2)n1 ZINC000645980960 1129516060 /nfs/dbraw/zinc/51/60/60/1129516060.db2.gz VUMOKEYQKOQLOL-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN COc1ccccc1C1(NCc2ccccc2C)CC1 ZINC000645998322 1129516439 /nfs/dbraw/zinc/51/64/39/1129516439.db2.gz JYHCJGUXNFKCQH-UHFFFAOYSA-N 0 1 267.372 3.783 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@H](C)c2ccccc2Cl)C1 ZINC000251263890 1129518812 /nfs/dbraw/zinc/51/88/12/1129518812.db2.gz OBPKKXULEKZKMW-WBMJQRKESA-N 0 1 295.810 3.978 20 0 CHADMN CN(CCC(C)(C)C)Cc1cc(C(C)(C)C)on1 ZINC000646028727 1129518952 /nfs/dbraw/zinc/51/89/52/1129518952.db2.gz XMWFMCBXJWWBRU-UHFFFAOYSA-N 0 1 252.402 3.840 20 0 CHADMN C[C@H](C(=O)Nc1c(F)cccc1F)N(C)CCC(C)(C)C ZINC000646027642 1129519391 /nfs/dbraw/zinc/51/93/91/1129519391.db2.gz URHVSEMQEGOAPL-LLVKDONJSA-N 0 1 298.377 3.660 20 0 CHADMN CC[C@H](C)CN(C)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743363048 1129521244 /nfs/dbraw/zinc/52/12/44/1129521244.db2.gz GIOUHWRDXKQJSC-WFASDCNBSA-N 0 1 294.826 3.549 20 0 CHADMN CC[C@H](N[C@H](C)c1c[nH]nc1C)c1cc(F)ccc1F ZINC000180913161 1129521767 /nfs/dbraw/zinc/52/17/67/1129521767.db2.gz LETWJWVMSCWSRF-PSLIRLAXSA-N 0 1 279.334 3.798 20 0 CHADMN COc1cccc(CNC2(c3ccc(C)cc3)CCC2)n1 ZINC000646131394 1129525104 /nfs/dbraw/zinc/52/51/04/1129525104.db2.gz QMZVPJUPVHJDIQ-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cccc3cccnc32)CC2(CCCC2)O1 ZINC000646133683 1129525496 /nfs/dbraw/zinc/52/54/96/1129525496.db2.gz YWKYIPAXITXHAH-OAHLLOKOSA-N 0 1 296.414 3.768 20 0 CHADMN Cc1ccc(C2(NCc3cncc(F)c3)CCC2)cc1 ZINC000646130588 1129525703 /nfs/dbraw/zinc/52/57/03/1129525703.db2.gz YXRWDAAELMTJKO-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN Cc1ccc(C2(NCc3ccncc3F)CCC2)cc1 ZINC000646130488 1129525706 /nfs/dbraw/zinc/52/57/06/1129525706.db2.gz VLZDFARKRFRECL-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN CCCCc1noc(CN2CCCC[C@H]2C2CCC2)n1 ZINC000646137442 1129526401 /nfs/dbraw/zinc/52/64/01/1129526401.db2.gz GTGHUERTFLAOMO-AWEZNQCLSA-N 0 1 277.412 3.567 20 0 CHADMN CC(C)N(Cc1csc(Br)n1)CC1CC1 ZINC001137582493 1131379898 /nfs/dbraw/zinc/37/98/98/1131379898.db2.gz WQODRPOGBOLDNH-UHFFFAOYSA-N 0 1 289.242 3.526 20 0 CHADMN CCCCCC[C@@](C)(CCC)C(=O)N(C)Cc1nnc[nH]1 ZINC000743478800 1129526898 /nfs/dbraw/zinc/52/68/98/1129526898.db2.gz BAUWFJKTKGNMMZ-MRXNPFEDSA-N 0 1 294.443 3.540 20 0 CHADMN CC1(C)CN(Cc2cccc(O)c2Cl)[C@@H]1C1CC1 ZINC000646205510 1129528886 /nfs/dbraw/zinc/52/88/86/1129528886.db2.gz DXYHKTWLSZVKAO-CQSZACIVSA-N 0 1 265.784 3.666 20 0 CHADMN CC(C)[C@H]1N(Cc2nc3c(s2)CCCC3)CC1(C)C ZINC000646221104 1129529421 /nfs/dbraw/zinc/52/94/21/1129529421.db2.gz OGCCBEYHECVEPE-OAHLLOKOSA-N 0 1 278.465 3.888 20 0 CHADMN O=C(CC1=CCCCC1)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000646462198 1129537777 /nfs/dbraw/zinc/53/77/77/1129537777.db2.gz HHZAMAJTRBLIIY-UHFFFAOYSA-N 0 1 297.358 3.611 20 0 CHADMN CC[C@@H](C)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000181163741 1129539784 /nfs/dbraw/zinc/53/97/84/1129539784.db2.gz KNUCRNYEAOKBEJ-RISCZKNCSA-N 0 1 287.325 3.877 20 0 CHADMN CC[C@]1(C)CCCN(Cc2ccnc(Cl)c2)C1 ZINC000743860622 1129541271 /nfs/dbraw/zinc/54/12/71/1129541271.db2.gz NQRNAAYQWVYHFT-CQSZACIVSA-N 0 1 252.789 3.747 20 0 CHADMN CC[C@H](C)CCC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000646984099 1129548268 /nfs/dbraw/zinc/54/82/68/1129548268.db2.gz IRYCUVPMXCCDDD-JTQLQIEISA-N 0 1 259.353 3.636 20 0 CHADMN C[C@H]1CN(Cc2c3cc[nH]c3ncc2Cl)CCC1(F)F ZINC001138947086 1129548371 /nfs/dbraw/zinc/54/83/71/1129548371.db2.gz NYPOTNYPIYXQRA-VIFPVBQESA-N 0 1 299.752 3.645 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cc4ccsc4[nH]3)[nH]c2c1 ZINC000646982208 1129548398 /nfs/dbraw/zinc/54/83/98/1129548398.db2.gz BGFNUJFDAXVEKX-UHFFFAOYSA-N 0 1 296.355 3.666 20 0 CHADMN CC(C)C[C@@H](N)c1noc(/C=C\c2cccc(Cl)c2)n1 ZINC000647130398 1129550927 /nfs/dbraw/zinc/55/09/27/1129550927.db2.gz YIHRILJOXHJSMT-FMFIFOJESA-N 0 1 291.782 3.939 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cc3cccc(F)c3o2)n1 ZINC000647133078 1129551415 /nfs/dbraw/zinc/55/14/15/1129551415.db2.gz XZDQHAFNYYMSHW-NSHDSACASA-N 0 1 289.310 3.668 20 0 CHADMN C[C@H](c1nc([C@H]2CCCN2)no1)c1ccc2ccccc2c1 ZINC000647148562 1129551785 /nfs/dbraw/zinc/55/17/85/1129551785.db2.gz QGPKCAQIJQUTAT-BLLLJJGKSA-N 0 1 293.370 3.799 20 0 CHADMN C/C(=C\c1nc([C@@H]2CCCN2)no1)c1cccc(Cl)c1 ZINC000647151408 1129553050 /nfs/dbraw/zinc/55/30/50/1129553050.db2.gz FFIHXPOQBSFGIU-FROQITRMSA-N 0 1 289.766 3.708 20 0 CHADMN CC(C)Cn1nccc1CN[C@H]1CCCOc2ccccc21 ZINC000647177932 1129554174 /nfs/dbraw/zinc/55/41/74/1129554174.db2.gz SVVPTFNNIYGYKP-KRWDZBQOSA-N 0 1 299.418 3.543 20 0 CHADMN CC(C)Cn1nccc1CN[C@@H]1CCCOc2ccccc21 ZINC000647177933 1129554482 /nfs/dbraw/zinc/55/44/82/1129554482.db2.gz SVVPTFNNIYGYKP-QGZVFWFLSA-N 0 1 299.418 3.543 20 0 CHADMN Cc1coc(CNC(C)(C)c2ccc(F)c(F)c2)c1 ZINC000886012670 1129554853 /nfs/dbraw/zinc/55/48/53/1129554853.db2.gz MEAPAJOTDIPRLW-UHFFFAOYSA-N 0 1 265.303 3.891 20 0 CHADMN C[C@H](N[C@H]1CO[C@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000647181825 1129554824 /nfs/dbraw/zinc/55/48/24/1129554824.db2.gz UEOWLKJLJRAIPR-MBNYWOFBSA-N 0 1 288.416 3.638 20 0 CHADMN COc1cccc(CNC2(c3ccccc3C)CC2)c1F ZINC000647224353 1129557668 /nfs/dbraw/zinc/55/76/68/1129557668.db2.gz CMADCPOSCNEJLX-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN Cc1nn(C(C)C)cc1CNC1(c2ccccc2C)CC1 ZINC000647224414 1129558104 /nfs/dbraw/zinc/55/81/04/1129558104.db2.gz GTBCUTGPWIUMPX-UHFFFAOYSA-N 0 1 283.419 3.860 20 0 CHADMN Cc1c[nH]nc1CNC1(c2cccc(Cl)c2)CCC1 ZINC000647251909 1129560635 /nfs/dbraw/zinc/56/06/35/1129560635.db2.gz OGJKGROLJCFHJG-UHFFFAOYSA-N 0 1 275.783 3.541 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)CN(C)CC(C)C)cc1 ZINC000744219894 1129560749 /nfs/dbraw/zinc/56/07/49/1129560749.db2.gz DVUYRUKJLHTONZ-AWEZNQCLSA-N 0 1 276.424 3.726 20 0 CHADMN FCC1(NCc2ccc(F)c(Br)c2)CCC1 ZINC000647254405 1129561454 /nfs/dbraw/zinc/56/14/54/1129561454.db2.gz KVQDBDMSFYNTMO-UHFFFAOYSA-N 0 1 290.151 3.570 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2cc3n(n2)CCCC3)cc1 ZINC000647283552 1129563815 /nfs/dbraw/zinc/56/38/15/1129563815.db2.gz DTNUEGGBHLEKOX-HUUCEWRRSA-N 0 1 283.419 3.940 20 0 CHADMN Cc1noc(C)c1CN[C@H](CC(C)C)c1ccncc1 ZINC000647284851 1129564015 /nfs/dbraw/zinc/56/40/15/1129564015.db2.gz MKVAEOGYYOWKEW-MRXNPFEDSA-N 0 1 273.380 3.563 20 0 CHADMN Cc1[nH]ncc1[C@H](C)Nc1cnn([C@@H](C)c2ccccc2)c1 ZINC000647328661 1129568712 /nfs/dbraw/zinc/56/87/12/1129568712.db2.gz XAGYZXRTWFUPNA-JSGCOSHPSA-N 0 1 295.390 3.697 20 0 CHADMN CC[C@H](NC1(c2ccccc2OC)CC1)c1ccncc1 ZINC000647329863 1129568949 /nfs/dbraw/zinc/56/89/49/1129568949.db2.gz YCZXHTATSGWGOZ-INIZCTEOSA-N 0 1 282.387 3.820 20 0 CHADMN CCCCCC[C@](C)(CCC)C(=O)N1CCCN(C)CC1 ZINC000744344452 1129570250 /nfs/dbraw/zinc/57/02/50/1129570250.db2.gz XZTDAYFUIKKPDE-SFHVURJKSA-N 0 1 296.499 3.927 20 0 CHADMN Cn1ncc2c1CCC[C@@H]2NC1(c2ccccc2F)CCC1 ZINC000647333029 1129570515 /nfs/dbraw/zinc/57/05/15/1129570515.db2.gz JWRKJMQEZXCNKX-INIZCTEOSA-N 0 1 299.393 3.606 20 0 CHADMN C[C@H](NC1(c2cccc(Cl)c2)CCC1)c1ccncn1 ZINC000647349031 1129572588 /nfs/dbraw/zinc/57/25/88/1129572588.db2.gz TXYQSOLCQKCZPA-LBPRGKRZSA-N 0 1 287.794 3.860 20 0 CHADMN CC(C)N(CCC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000744392247 1129575208 /nfs/dbraw/zinc/57/52/08/1129575208.db2.gz JORAQTLVDJUFQJ-UHFFFAOYSA-N 0 1 288.435 3.538 20 0 CHADMN Cc1ccc(NC(=O)CN2CCC3(CCCC3)C2)cc1C ZINC000744419768 1129576232 /nfs/dbraw/zinc/57/62/32/1129576232.db2.gz AHDIZEIHRHGNLQ-UHFFFAOYSA-N 0 1 286.419 3.508 20 0 CHADMN CC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1Nc1ccncc1 ZINC000647642329 1129583216 /nfs/dbraw/zinc/58/32/16/1129583216.db2.gz OQRGMAMQWTZEGI-UONOGXRCSA-N 0 1 297.402 3.868 20 0 CHADMN CN1CCc2c(F)cc(-c3ccccc3F)cc2C1 ZINC001239556746 1131383612 /nfs/dbraw/zinc/38/36/12/1131383612.db2.gz LOOBRPWEZFNGSC-UHFFFAOYSA-N 0 1 259.299 3.620 20 0 CHADMN Fc1ccc2ccc(CNCc3ccccc3)nc2c1F ZINC000647924655 1129587624 /nfs/dbraw/zinc/58/76/24/1129587624.db2.gz ZMIGDCVEKKLWEB-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN Cc1nc(CN(Cc2ccccc2)[C@@H](C)C2CC2)co1 ZINC000647959097 1129589256 /nfs/dbraw/zinc/58/92/56/1129589256.db2.gz XUFGSVYKPCNKRJ-ZDUSSCGKSA-N 0 1 270.376 3.784 20 0 CHADMN CCc1nocc1CN[C@@H](C)c1cccc(C)c1C ZINC000647970107 1129589973 /nfs/dbraw/zinc/58/99/73/1129589973.db2.gz CFOHNWPENAQAFC-ZDUSSCGKSA-N 0 1 258.365 3.705 20 0 CHADMN Cc1ccc(-c2nn(C)cc2CN(C)[C@H](C)c2ccco2)o1 ZINC000648001238 1129591966 /nfs/dbraw/zinc/59/19/66/1129591966.db2.gz BQDCKRJOBSGPBF-CYBMUJFWSA-N 0 1 299.374 3.775 20 0 CHADMN Cc1ccc(-c2nn(C)cc2CN(C)Cc2occc2C)o1 ZINC000648038153 1129593425 /nfs/dbraw/zinc/59/34/25/1129593425.db2.gz OXSBWRRSIMDLFI-UHFFFAOYSA-N 0 1 299.374 3.522 20 0 CHADMN CC[C@@H](C(=O)O[C@@H](C)c1cc(F)ccc1F)N(CC)CC ZINC000745091181 1129593855 /nfs/dbraw/zinc/59/38/55/1129593855.db2.gz LFNSZLBLRAATCR-NHYWBVRUSA-N 0 1 299.361 3.689 20 0 CHADMN CCc1ccc(CN2CC(C)(CC(F)F)C2)s1 ZINC000648058495 1129595067 /nfs/dbraw/zinc/59/50/67/1129595067.db2.gz NGOSETIAYOMZQG-UHFFFAOYSA-N 0 1 259.365 3.788 20 0 CHADMN Cc1ccc(CN2CC(C)(CC(F)F)C2)cc1C ZINC000648058494 1129595154 /nfs/dbraw/zinc/59/51/54/1129595154.db2.gz NDDPOSFBDYSKJH-UHFFFAOYSA-N 0 1 253.336 3.781 20 0 CHADMN Cc1nc(CN2CC3(CC=CC3)[C@H]2C(C)C)cs1 ZINC000648071919 1129595974 /nfs/dbraw/zinc/59/59/74/1129595974.db2.gz ARSXRCQDUTZSEN-CQSZACIVSA-N 0 1 262.422 3.628 20 0 CHADMN C[C@H]1CN(Cc2scnc2C2CC2)CC2(CCCC2)O1 ZINC000648076933 1129597290 /nfs/dbraw/zinc/59/72/90/1129597290.db2.gz RNCXKBXKSWNCLK-LBPRGKRZSA-N 0 1 292.448 3.554 20 0 CHADMN C[C@@H](N[C@@H]1CSCc2ccccc21)c1cccnc1 ZINC000037229108 1129597437 /nfs/dbraw/zinc/59/74/37/1129597437.db2.gz BMSIXXQCXZKSNU-MLGOLLRUSA-N 0 1 270.401 3.720 20 0 CHADMN Cc1cc2ncnc(-c3ccc4[nH]cnc4c3)c2s1 ZINC001241687811 1129602182 /nfs/dbraw/zinc/60/21/82/1129602182.db2.gz BLPPJWVVDAHVRN-UHFFFAOYSA-N 0 1 266.329 3.543 20 0 CHADMN C[C@@H]1SCC[N@@H+](Cc2cc3cc(Cl)cnc3o2)[C@H]1C ZINC000648374761 1129604407 /nfs/dbraw/zinc/60/44/07/1129604407.db2.gz WGKZRVVMTVLQAZ-UWVGGRQHSA-N 0 1 296.823 3.807 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2cnccc2C)c1F ZINC000648493998 1129609377 /nfs/dbraw/zinc/60/93/77/1129609377.db2.gz IEZYZYSIYGPDQJ-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN CC[C@H](N[C@H]1CCCc2ccccc2C1)C(F)F ZINC000648620139 1129616068 /nfs/dbraw/zinc/61/60/68/1129616068.db2.gz QTXJYMNHVOOSBJ-KBPBESRZSA-N 0 1 253.336 3.567 20 0 CHADMN CCC1(NCc2csc(-c3ccc(OC)cc3)n2)CC1 ZINC000648684228 1129621185 /nfs/dbraw/zinc/62/11/85/1129621185.db2.gz QEMSULPEZVPJGS-UHFFFAOYSA-N 0 1 288.416 3.851 20 0 CHADMN Fc1ccc2c(c1)CN(Cc1cccc3cnccc31)CC2 ZINC000183301663 1129622625 /nfs/dbraw/zinc/62/26/25/1129622625.db2.gz PZFASSDBFDFDAU-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN CCc1cc(CN[C@@H](C)c2ccc(SC)cc2)[nH]n1 ZINC000746047158 1129623382 /nfs/dbraw/zinc/62/33/82/1129623382.db2.gz JKSHFVDVQLQPDA-NSHDSACASA-N 0 1 275.421 3.545 20 0 CHADMN COc1cccc2c1C[N@@H+](Cc1cccc3[nH]ccc31)CC2 ZINC000648769816 1129625262 /nfs/dbraw/zinc/62/52/62/1129625262.db2.gz DLFLJENYPCKLEZ-UHFFFAOYSA-N 0 1 292.382 3.735 20 0 CHADMN FC(F)(F)c1cccnc1C[N@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000648761995 1129625451 /nfs/dbraw/zinc/62/54/51/1129625451.db2.gz DVNOUMYLMUNNQF-DOMZBBRYSA-N 0 1 296.336 3.721 20 0 CHADMN FC(F)(F)c1cccnc1CN1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000648761995 1129625453 /nfs/dbraw/zinc/62/54/53/1129625453.db2.gz DVNOUMYLMUNNQF-DOMZBBRYSA-N 0 1 296.336 3.721 20 0 CHADMN Cc1[nH]ncc1[C@@H](C)Nc1cnn(-c2ccc(C)cc2C)c1 ZINC000191628938 1129641454 /nfs/dbraw/zinc/64/14/54/1129641454.db2.gz MGFKPOBUNFFKKJ-CYBMUJFWSA-N 0 1 295.390 3.694 20 0 CHADMN CCOc1ccccc1-c1ccc(CN(C)C)c(F)c1 ZINC000649437890 1129648472 /nfs/dbraw/zinc/64/84/72/1129648472.db2.gz JOMSKBICJBTEPX-UHFFFAOYSA-N 0 1 273.351 3.953 20 0 CHADMN CC[C@H](OCCN(C)Cc1ccco1)c1ccccc1 ZINC000649475399 1129652091 /nfs/dbraw/zinc/65/20/91/1129652091.db2.gz AKLWRNYXXLEROA-KRWDZBQOSA-N 0 1 273.376 3.879 20 0 CHADMN C[C@]1(CN2CC=C(C(F)(F)F)CC2)CC1(Cl)Cl ZINC000828499323 1131388478 /nfs/dbraw/zinc/38/84/78/1131388478.db2.gz VRQANEANBMSOCF-SECBINFHSA-N 0 1 288.140 3.765 20 0 CHADMN Cc1nc(C)c(CN[C@@H](C)c2cc(C)cc(C)c2)o1 ZINC000389102153 1129655907 /nfs/dbraw/zinc/65/59/07/1129655907.db2.gz IYLABBSOVLVHFF-LBPRGKRZSA-N 0 1 258.365 3.759 20 0 CHADMN CSc1ccc([C@@H](C)NCc2oc(C)nc2C)cc1 ZINC000389270962 1129656344 /nfs/dbraw/zinc/65/63/44/1129656344.db2.gz HRWQTXWJKLKAFM-SNVBAGLBSA-N 0 1 276.405 3.864 20 0 CHADMN c1c(CN[C@H](CC2CC2)c2ccccc2)nn2c1CCCC2 ZINC000649575288 1129659217 /nfs/dbraw/zinc/65/92/17/1129659217.db2.gz KMRWZUJICDHEFY-LJQANCHMSA-N 0 1 295.430 3.850 20 0 CHADMN C[C@H](C[C@@H](O)c1ccco1)NCc1c(F)cccc1Cl ZINC000305702608 1129660515 /nfs/dbraw/zinc/66/05/15/1129660515.db2.gz DHJXHORXYQTWMM-QMTHXVAHSA-N 0 1 297.757 3.674 20 0 CHADMN CC[C@@H](OCCN[C@@H](C)c1nccs1)c1ccccc1 ZINC000649583854 1129660549 /nfs/dbraw/zinc/66/05/49/1129660549.db2.gz AZAJUFSJQXMYRP-DZGCQCFKSA-N 0 1 290.432 3.962 20 0 CHADMN CC(C)Oc1ccnc(CNC(C)(C)c2cccs2)c1 ZINC000649584534 1129660873 /nfs/dbraw/zinc/66/08/73/1129660873.db2.gz XDWBUJCNJPJXSO-UHFFFAOYSA-N 0 1 290.432 3.955 20 0 CHADMN CC[C@H](OCCN(C)Cc1cnccc1C)c1ccccc1 ZINC000649595825 1129661416 /nfs/dbraw/zinc/66/14/16/1129661416.db2.gz ABLBXDPPWZVNMI-IBGZPJMESA-N 0 1 298.430 3.990 20 0 CHADMN COc1ccc(-c2cnc(CN3CCC34CCCC4)o2)cc1 ZINC000649656136 1129666916 /nfs/dbraw/zinc/66/69/16/1129666916.db2.gz AOJWRLZEMDGTSY-UHFFFAOYSA-N 0 1 298.386 3.869 20 0 CHADMN Cc1cnc([C@H](C)N2CC[C@](C)(c3cccc(F)c3)C2)cn1 ZINC000649661620 1129667946 /nfs/dbraw/zinc/66/79/46/1129667946.db2.gz GXSMNAUWAWPYRD-KSSFIOAISA-N 0 1 299.393 3.649 20 0 CHADMN CC(C)O[C@H]1CCCN(Cc2sccc2Cl)C1 ZINC000649703495 1129671791 /nfs/dbraw/zinc/67/17/91/1129671791.db2.gz FCNBWCBQCREKKO-NSHDSACASA-N 0 1 273.829 3.791 20 0 CHADMN CC[C@H]1CN(Cc2ccc(C(F)F)cc2)[C@H](C)CO1 ZINC000649736223 1129673791 /nfs/dbraw/zinc/67/37/91/1129673791.db2.gz YARFLUBFXJYCOX-RISCZKNCSA-N 0 1 269.335 3.624 20 0 CHADMN Fc1cccc(F)c1CCN1CCC2(CC2(F)F)CC1 ZINC000649773093 1129676830 /nfs/dbraw/zinc/67/68/30/1129676830.db2.gz INTNYZMINAUWTD-UHFFFAOYSA-N 0 1 287.300 3.629 20 0 CHADMN C[C@@H](NC1(C2CCC2)CC1)c1nnc(-c2cccs2)o1 ZINC000649806933 1129678557 /nfs/dbraw/zinc/67/85/57/1129678557.db2.gz GOLLEFKKDBPEHX-SNVBAGLBSA-N 0 1 289.404 3.781 20 0 CHADMN CC[C@@]1(C)COCCN1Cc1cccc(OC(C)(C)C)c1 ZINC001168848371 1129679295 /nfs/dbraw/zinc/67/92/95/1129679295.db2.gz NEXPWNRRHYFNLD-SFHVURJKSA-N 0 1 291.435 3.865 20 0 CHADMN Cc1nnc([C@@H](C)N2CCc3ccccc3[C@@H](C)C2)s1 ZINC000649835582 1129681754 /nfs/dbraw/zinc/68/17/54/1129681754.db2.gz LUOPOIOYBNHAES-NWDGAFQWSA-N 0 1 287.432 3.569 20 0 CHADMN Cc1c(NC(=O)C(C)(C)C)ccnc1NCCC1CCC1 ZINC001168887316 1129682143 /nfs/dbraw/zinc/68/21/43/1129682143.db2.gz ZXUJLACGWITZFG-UHFFFAOYSA-N 0 1 289.423 3.977 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2cc(C)ccc2C)nc1 ZINC001168926160 1129682870 /nfs/dbraw/zinc/68/28/70/1129682870.db2.gz YUHFDERVVYJPAU-HNNXBMFYSA-N 0 1 284.403 3.948 20 0 CHADMN FC(F)(F)c1ccc(C2(NCc3ccncc3)CC2)cc1 ZINC000649886132 1129683625 /nfs/dbraw/zinc/68/36/25/1129683625.db2.gz NXUWXUOUDIEDGC-UHFFFAOYSA-N 0 1 292.304 3.879 20 0 CHADMN CCOC(=O)[C@@H](CC(C)C)N(C)CCCc1ccccc1 ZINC001168942176 1129685025 /nfs/dbraw/zinc/68/50/25/1129685025.db2.gz UKUHZUMIEBHAAM-QGZVFWFLSA-N 0 1 291.435 3.529 20 0 CHADMN Cc1ccc(CN(C)C[C@H](OC(C)C)c2ccccc2)nc1 ZINC000649904306 1129685645 /nfs/dbraw/zinc/68/56/45/1129685645.db2.gz SJUJGBWHBBGVJF-IBGZPJMESA-N 0 1 298.430 3.988 20 0 CHADMN COc1cc(CN2CC[C@]3(CC3(F)F)C2)ccc1Cl ZINC000649907822 1129686195 /nfs/dbraw/zinc/68/61/95/1129686195.db2.gz AJABRZOJSQHKFP-ZDUSSCGKSA-N 0 1 287.737 3.580 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N1CC[C@@]2(CC2(F)F)C1 ZINC000649907551 1129686337 /nfs/dbraw/zinc/68/63/37/1129686337.db2.gz UTHAVMVIRAHOET-QMTHXVAHSA-N 0 1 278.302 3.620 20 0 CHADMN Cc1nccc(NCCOc2cccc3ccccc32)c1F ZINC001169015284 1129689992 /nfs/dbraw/zinc/68/99/92/1129689992.db2.gz RPABLPPEHVBMJH-UHFFFAOYSA-N 0 1 296.345 3.595 20 0 CHADMN C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001169013552 1129690070 /nfs/dbraw/zinc/69/00/70/1129690070.db2.gz IEXZTCSVFYLWBF-BBRMVZONSA-N 0 1 297.402 3.518 20 0 CHADMN COc1cccc(OC)c1Nc1ccc2nc(C)[nH]c2c1 ZINC001213073344 1129696663 /nfs/dbraw/zinc/69/66/63/1129696663.db2.gz NJKRMSDLLFIITB-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN CN(C)/C=C/c1ccncc1N[C@@H]1CCCC(F)(F)C1 ZINC001169219535 1129710090 /nfs/dbraw/zinc/71/00/90/1129710090.db2.gz ATECFKLHUKIYAK-YSKGHYERSA-N 0 1 281.350 3.604 20 0 CHADMN CCc1ccc([C@H]2CN(CCC3CCC3)CCO2)cc1 ZINC001169285169 1129715153 /nfs/dbraw/zinc/71/51/53/1129715153.db2.gz UIJSCKLZMKFKEZ-GOSISDBHSA-N 0 1 273.420 3.813 20 0 CHADMN CC[C@@]1(C)C[N@@H+](CCSc2cccc(Cl)c2)CCO1 ZINC001169341010 1129719019 /nfs/dbraw/zinc/71/90/19/1129719019.db2.gz CVXUTHAMYFXSPM-HNNXBMFYSA-N 0 1 299.867 3.933 20 0 CHADMN CC[C@@]1(C)CN(CCSc2cccc(Cl)c2)CCO1 ZINC001169341010 1129719023 /nfs/dbraw/zinc/71/90/23/1129719023.db2.gz CVXUTHAMYFXSPM-HNNXBMFYSA-N 0 1 299.867 3.933 20 0 CHADMN CC[C@@]1(C)C[N@H+]([C@H](C)c2ccc3c(c2)CCC3)CCO1 ZINC001169342388 1129719234 /nfs/dbraw/zinc/71/92/34/1129719234.db2.gz LVYJAHFAMZTBLN-KDOFPFPSSA-N 0 1 273.420 3.737 20 0 CHADMN CC[C@@]1(C)CN([C@H](C)c2ccc3c(c2)CCC3)CCO1 ZINC001169342388 1129719235 /nfs/dbraw/zinc/71/92/35/1129719235.db2.gz LVYJAHFAMZTBLN-KDOFPFPSSA-N 0 1 273.420 3.737 20 0 CHADMN Cc1ccc(C)c(NCc2c(=O)[nH]c(C)c3c2CCCC3)n1 ZINC001169399588 1129724661 /nfs/dbraw/zinc/72/46/61/1129724661.db2.gz PJHZFMVPSYBAIF-UHFFFAOYSA-N 0 1 297.402 3.598 20 0 CHADMN Cc1nccc(CN[C@@H](C)c2csc3ccccc32)n1 ZINC000796451766 1129728043 /nfs/dbraw/zinc/72/80/43/1129728043.db2.gz ZBYAKMQXMZATLN-NSHDSACASA-N 0 1 283.400 3.851 20 0 CHADMN CN(C)Cc1cc(-c2c(F)cccc2F)ccc1F ZINC001239575676 1131393762 /nfs/dbraw/zinc/39/37/62/1131393762.db2.gz JTNHTCSRRWACOH-UHFFFAOYSA-N 0 1 265.278 3.833 20 0 CHADMN C[C@H](CCCc1cccnc1)N[C@H]1CCCC1(F)F ZINC000651345978 1129737823 /nfs/dbraw/zinc/73/78/23/1129737823.db2.gz VHHIZZFWKCDYFM-OCCSQVGLSA-N 0 1 268.351 3.570 20 0 CHADMN Cc1cc(N2CC[C@@]3(CC3(F)F)C2)c2cc(F)ccc2n1 ZINC000651487802 1129741433 /nfs/dbraw/zinc/74/14/33/1129741433.db2.gz HRUQTCKDWOSORK-OAHLLOKOSA-N 0 1 292.304 3.918 20 0 CHADMN c1cc2cc(NCc3nc4c(s3)CCC4)ccc2cn1 ZINC000651604511 1129743032 /nfs/dbraw/zinc/74/30/32/1129743032.db2.gz RPWRJYJJDVEOIM-UHFFFAOYSA-N 0 1 281.384 3.792 20 0 CHADMN CCN(CCC(F)(F)F)Cc1cc2cnccc2o1 ZINC000651627433 1129743066 /nfs/dbraw/zinc/74/30/66/1129743066.db2.gz YTSUMCFGWLRBFX-UHFFFAOYSA-N 0 1 272.270 3.602 20 0 CHADMN CN(CCc1cccnc1)Cc1ccc(Cl)cc1F ZINC001137660617 1131394785 /nfs/dbraw/zinc/39/47/85/1131394785.db2.gz WLWQIIXIEGTILZ-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN Cc1ccc(CNCc2ccc3c(c2)COC3)c(Cl)c1 ZINC000651737268 1129746116 /nfs/dbraw/zinc/74/61/16/1129746116.db2.gz ZXWASFFTHFTVFH-UHFFFAOYSA-N 0 1 287.790 3.968 20 0 CHADMN CCC1(CC)CCC(N[C@H](C)c2nc(C)no2)CC1 ZINC000651784449 1129747434 /nfs/dbraw/zinc/74/74/34/1129747434.db2.gz PQUADNAUIZUWJX-LLVKDONJSA-N 0 1 265.401 3.778 20 0 CHADMN C[C@@H]1CCCCC[C@H]1NC1(c2noc(C(F)F)n2)CCC1 ZINC000651815854 1129749297 /nfs/dbraw/zinc/74/92/97/1129749297.db2.gz PMRDOLSYIIGQNR-GHMZBOCLSA-N 0 1 299.365 3.945 20 0 CHADMN Cc1ccccc1[C@@]1(F)CCN(C[C@@H](O)CCC(C)C)C1 ZINC001169715660 1129749903 /nfs/dbraw/zinc/74/99/03/1129749903.db2.gz MYBCQVKZRLZJCY-FUHWJXTLSA-N 0 1 293.426 3.663 20 0 CHADMN c1ccc2c(c1)COC[C@@H]2NCc1cccc2c1CCC2 ZINC000651832215 1129750355 /nfs/dbraw/zinc/75/03/55/1129750355.db2.gz COMVCGVACGPXJN-IBGZPJMESA-N 0 1 279.383 3.536 20 0 CHADMN C[C@@H](CSc1ccccc1)N(C)Cc1cncs1 ZINC000651875525 1129751544 /nfs/dbraw/zinc/75/15/44/1129751544.db2.gz LVOFLFMGPGCWNW-LBPRGKRZSA-N 0 1 278.446 3.756 20 0 CHADMN COc1ccc(-c2nc(C)cc3[nH]ccc32)cc1F ZINC001239576874 1131395210 /nfs/dbraw/zinc/39/52/10/1131395210.db2.gz GMXUIRNDSFAFJV-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN COc1ccc(-c2ccc3nc(C)[nH]c3c2)cc1F ZINC001239578390 1131395492 /nfs/dbraw/zinc/39/54/92/1131395492.db2.gz MCWMFZKMSHIZKI-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CC(C)CCn1cccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000652063398 1129757217 /nfs/dbraw/zinc/75/72/17/1129757217.db2.gz LIRIKPIBZJHXQQ-OAHLLOKOSA-N 0 1 282.378 3.765 20 0 CHADMN FC1(F)C[C@@]12CC[N@@H+](Cc1cc3cc(Cl)cnc3o1)C2 ZINC000652064509 1129757255 /nfs/dbraw/zinc/75/72/55/1129757255.db2.gz QGZWMABCJDMXRS-CYBMUJFWSA-N 0 1 298.720 3.712 20 0 CHADMN COc1ccc([C@H](NCC[C@@H](C)F)c2ccccn2)cc1 ZINC000652202124 1129759216 /nfs/dbraw/zinc/75/92/16/1129759216.db2.gz ATHYUENPFJPIMG-DYVFJYSZSA-N 0 1 288.366 3.517 20 0 CHADMN COc1ccc(-c2cc3nc[nH]c3c(C)c2)cc1F ZINC001239578015 1131395677 /nfs/dbraw/zinc/39/56/77/1131395677.db2.gz HYLMOSAXPNTQAI-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CC[N@@H+](Cc1csc(C(=O)[O-])c1)Cc1cccc(F)c1 ZINC000652379848 1129764431 /nfs/dbraw/zinc/76/44/31/1129764431.db2.gz PUOSVMSSKJLORL-UHFFFAOYSA-N 0 1 293.363 3.608 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000652415409 1129765295 /nfs/dbraw/zinc/76/52/95/1129765295.db2.gz PSTRCSQEPAGFPG-INIZCTEOSA-N 0 1 273.376 3.539 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2cncnc2)cc1C ZINC001137670578 1131396745 /nfs/dbraw/zinc/39/67/45/1131396745.db2.gz ZIMLDFZSRJYVPQ-SFHVURJKSA-N 0 1 281.403 3.821 20 0 CHADMN Cc1nsc(C)c1CN(C)Cc1cccc(C)c1 ZINC000653499317 1129781556 /nfs/dbraw/zinc/78/15/56/1129781556.db2.gz GHHZBNLCEGKPCG-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN Cc1nsc(C)c1CNC1(c2ccccc2C)CC1 ZINC000653776222 1129795175 /nfs/dbraw/zinc/79/51/75/1129795175.db2.gz VUYYEFJLJQHJJR-UHFFFAOYSA-N 0 1 272.417 3.847 20 0 CHADMN CCC[C@@H](C)NC(=O)[C@@H](C)N[C@H](CC)c1ccccc1F ZINC000653792644 1129795233 /nfs/dbraw/zinc/79/52/33/1129795233.db2.gz PVCILCDLFVOPDB-XJKCOSOUSA-N 0 1 294.414 3.560 20 0 CHADMN Clc1ccc(CN2CCC[C@H](OC3CCC3)C2)s1 ZINC000653812524 1129796260 /nfs/dbraw/zinc/79/62/60/1129796260.db2.gz LQHFUEJQDXEALN-LBPRGKRZSA-N 0 1 285.840 3.935 20 0 CHADMN C(c1nnc(C2CC2)s1)[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC000653892658 1129799859 /nfs/dbraw/zinc/79/98/59/1129799859.db2.gz LYQWCYYNVPBSSQ-CQSZACIVSA-N 0 1 291.464 3.960 20 0 CHADMN C(c1nnc(C2CC2)s1)N1CCC[C@@H]1CC1CCCC1 ZINC000653892658 1129799862 /nfs/dbraw/zinc/79/98/62/1129799862.db2.gz LYQWCYYNVPBSSQ-CQSZACIVSA-N 0 1 291.464 3.960 20 0 CHADMN CC(C)(C)c1ccc(NC(=O)CN2C3CCC2CC3)cc1 ZINC000822719399 1131398738 /nfs/dbraw/zinc/39/87/38/1131398738.db2.gz SAONQIZDWPXXKB-UHFFFAOYSA-N 0 1 286.419 3.549 20 0 CHADMN C[C@]1(CN2CCc3c(F)cccc3C2)CC1(Cl)Cl ZINC000828498852 1129808169 /nfs/dbraw/zinc/80/81/69/1129808169.db2.gz GFIGNHNUEXNMGD-CYBMUJFWSA-N 0 1 288.193 3.768 20 0 CHADMN C[C@@]1(c2ccc(F)cc2)CCN(C/C=C\Cl)C1 ZINC000796608900 1129817621 /nfs/dbraw/zinc/81/76/21/1129817621.db2.gz IUAFJEJGHJIUHT-UCEWNTHNSA-N 0 1 253.748 3.542 20 0 CHADMN COCCN(Cc1cc(C)oc1C)Cc1ccccc1 ZINC000768159957 1129836455 /nfs/dbraw/zinc/83/64/55/1129836455.db2.gz JJEDQLYHCWKSGZ-UHFFFAOYSA-N 0 1 273.376 3.545 20 0 CHADMN Fc1ccccc1C1(NCc2cccc3nsnc32)CC1 ZINC000271781632 1129837688 /nfs/dbraw/zinc/83/76/88/1129837688.db2.gz LQPMYYZZACGJMF-UHFFFAOYSA-N 0 1 299.374 3.609 20 0 CHADMN COc1ccc(CN(C)Cc2cnc(Cl)c(C)c2)cc1 ZINC000768160434 1129838072 /nfs/dbraw/zinc/83/80/72/1129838072.db2.gz NAUKUIKXRSWFKY-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN Cc1ccc(CN2CC3CC(C3)C2)c(Br)c1 ZINC001137808248 1131418715 /nfs/dbraw/zinc/41/87/15/1131418715.db2.gz FGDSAGMHUGWIID-UHFFFAOYSA-N 0 1 280.209 3.599 20 0 CHADMN CN(Cc1ccsc1)Cc1cncc2ccccc21 ZINC000768203470 1129839793 /nfs/dbraw/zinc/83/97/93/1129839793.db2.gz HCUDBCOTDFFGTR-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN Cc1ccc(CNCc2cscc2Cl)cc1 ZINC000381597114 1129842069 /nfs/dbraw/zinc/84/20/69/1129842069.db2.gz MCQFCEJCGUCBNA-UHFFFAOYSA-N 0 1 251.782 4.000 20 0 CHADMN Cc1ncsc1CN1Cc2ccccc2[C@H](C)C1 ZINC000768194544 1129842180 /nfs/dbraw/zinc/84/21/80/1129842180.db2.gz AMVBFGHZPWNKGE-LLVKDONJSA-N 0 1 258.390 3.571 20 0 CHADMN Cc1ccc(C2=CCN(Cc3cncs3)CC2)cc1 ZINC000768215061 1129844312 /nfs/dbraw/zinc/84/43/12/1129844312.db2.gz WDIDOCYKRGHIQI-UHFFFAOYSA-N 0 1 270.401 3.741 20 0 CHADMN C=C/C=C/CCN1CCc2cc(OC)c(Cl)cc2C1 ZINC001460178642 1129849349 /nfs/dbraw/zinc/84/93/49/1129849349.db2.gz GDNBUKIQHIYRQG-SNAWJCMRSA-N 0 1 277.795 3.839 20 0 CHADMN C[C@H](N[C@@H](C)[C@@H]1CCCCO1)c1c(F)cccc1F ZINC000381803094 1129850567 /nfs/dbraw/zinc/85/05/67/1129850567.db2.gz QJVRKGSJTJXNDM-MJVIPROJSA-N 0 1 269.335 3.573 20 0 CHADMN Cc1nc([C@H](C)NC[C@]2(C)CC2(Cl)Cl)cs1 ZINC000828816478 1131402042 /nfs/dbraw/zinc/40/20/42/1131402042.db2.gz WXFDNHBRCMWHKT-XVKPBYJWSA-N 0 1 279.236 3.686 20 0 CHADMN CC[C@@H](C)c1ccc(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000768375544 1129855091 /nfs/dbraw/zinc/85/50/91/1129855091.db2.gz IZCZKYHXTBFBOG-CHWSQXEVSA-N 0 1 299.418 3.593 20 0 CHADMN CCc1ccc(-c2ccc3nc(C(=O)OC)[nH]c3c2)cc1 ZINC001239588736 1131402508 /nfs/dbraw/zinc/40/25/08/1131402508.db2.gz OMDLBFJOFXHFBH-UHFFFAOYSA-N 0 1 280.327 3.579 20 0 CHADMN FC(F)(F)Sc1ccc(CN2CCCOCC2)cc1 ZINC000768891672 1129879321 /nfs/dbraw/zinc/87/93/21/1129879321.db2.gz VUCGYENOOJFKME-UHFFFAOYSA-N 0 1 291.338 3.521 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2cc(C)oc2C)on1 ZINC000768879163 1129879680 /nfs/dbraw/zinc/87/96/80/1129879680.db2.gz SVVSJBXCQWVKRF-AWEZNQCLSA-N 0 1 260.337 3.530 20 0 CHADMN C[C@H]1CCCC[C@H]1OCCN(C)Cc1cc(F)cc(F)c1 ZINC001169997702 1129880496 /nfs/dbraw/zinc/88/04/96/1129880496.db2.gz AWGSRDSIHLDNKN-SUMWQHHRSA-N 0 1 297.389 3.992 20 0 CHADMN COc1ccc(CN(C/C=C/Cl)CC2CC2)c(OC)c1 ZINC000800501407 1129880895 /nfs/dbraw/zinc/88/08/95/1129880895.db2.gz OWVLSRVAOUBVFR-FPYGCLRLSA-N 0 1 295.810 3.668 20 0 CHADMN CC(=C(F)C(=O)Nc1ccc(-c2ncc[nH]2)cc1)C1CC1 ZINC000900459708 1129884422 /nfs/dbraw/zinc/88/44/22/1129884422.db2.gz ZIMCPXLIKQHFHP-GXDHUFHOSA-N 0 1 285.322 3.669 20 0 CHADMN C[C@H]1Cc2ccccc2N1C1CCN(Cc2ccoc2)CC1 ZINC000769162735 1129893958 /nfs/dbraw/zinc/89/39/58/1129893958.db2.gz LLGYFNCIFGUCEQ-HNNXBMFYSA-N 0 1 296.414 3.695 20 0 CHADMN COc1ccc(/C=C/c2ccccc2)cc1CN(C)C ZINC001239594124 1131405893 /nfs/dbraw/zinc/40/58/93/1131405893.db2.gz RPZSKZHHYBVIDA-MDZDMXLPSA-N 0 1 267.372 3.927 20 0 CHADMN Cc1ncc(CCN[C@@H](C)c2csc(C(C)C)n2)s1 ZINC000769411055 1129907166 /nfs/dbraw/zinc/90/71/66/1129907166.db2.gz NNLFZFYCVWCLOO-JTQLQIEISA-N 0 1 295.477 3.925 20 0 CHADMN Cc1cc(CN2C[C@@H](C)CC[C@@H]2C)cnc1Cl ZINC000769444923 1129908345 /nfs/dbraw/zinc/90/83/45/1129908345.db2.gz AEZUZLQSVRHCOD-JQWIXIFHSA-N 0 1 252.789 3.664 20 0 CHADMN CCCCn1nc(C)c(CN2C[C@@H]3[C@H](C2)C3(C)C)c1Cl ZINC000769487090 1129909397 /nfs/dbraw/zinc/90/93/97/1129909397.db2.gz HNZRDBQVBHQNGM-OKILXGFUSA-N 0 1 295.858 3.733 20 0 CHADMN COC(=O)c1cc(CNCc2csc(C)c2C)cs1 ZINC000689144619 1129910639 /nfs/dbraw/zinc/91/06/39/1129910639.db2.gz LULOMLKZPQVXMM-UHFFFAOYSA-N 0 1 295.429 3.503 20 0 CHADMN Cc1cc(CN2CCC(C(C)C)CC2)cnc1Cl ZINC000769497476 1129914197 /nfs/dbraw/zinc/91/41/97/1129914197.db2.gz QBTLVWUJSJRMJC-UHFFFAOYSA-N 0 1 266.816 3.911 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@H](F)c1ccccc1 ZINC000769612394 1129919343 /nfs/dbraw/zinc/91/93/43/1129919343.db2.gz JDNPFJFFUYCRCZ-GFCCVEGCSA-N 0 1 279.698 3.695 20 0 CHADMN CCO[C@H](C)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000901399657 1129920960 /nfs/dbraw/zinc/92/09/60/1129920960.db2.gz ISNIWLNMQNDKKV-QMMMGPOBSA-N 0 1 283.784 3.600 20 0 CHADMN Cc1cccc(N(C)C(=O)c2c(O)cccc2Cl)c1 ZINC000769752039 1129921987 /nfs/dbraw/zinc/92/19/87/1129921987.db2.gz GTXSMYZHAMEEIS-UHFFFAOYSA-N 0 1 275.735 3.631 20 0 CHADMN Fc1ccc(-c2ccn(CN3CCCC4(CC4)C3)n2)cc1 ZINC000769794925 1129925572 /nfs/dbraw/zinc/92/55/72/1129925572.db2.gz ZCDTYVRJJJMCPD-UHFFFAOYSA-N 0 1 285.366 3.523 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1ccc(F)c(C)c1 ZINC000769868105 1129926552 /nfs/dbraw/zinc/92/65/52/1129926552.db2.gz OANYDYLKOGYKPV-NSHDSACASA-N 0 1 276.355 3.844 20 0 CHADMN CCCc1cccc(C[N@H+]2CC[C@@](C(=O)[O-])(C(C)C)C2)c1 ZINC000901465294 1129927479 /nfs/dbraw/zinc/92/74/79/1129927479.db2.gz VXLGEYJBBUAINL-SFHVURJKSA-N 0 1 289.419 3.572 20 0 CHADMN CO[C@H](C)Sc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000901470270 1129927825 /nfs/dbraw/zinc/92/78/25/1129927825.db2.gz CGZCHTVDDCOZRZ-LURJTMIESA-N 0 1 276.283 3.666 20 0 CHADMN Cc1cccc(OCCCNCc2ncc(Cl)s2)c1 ZINC000769909322 1129929581 /nfs/dbraw/zinc/92/95/81/1129929581.db2.gz NCEXTHBQVCENEA-UHFFFAOYSA-N 0 1 296.823 3.664 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCCO[C@@H]1CCCC[C@@H]1C ZINC000769876664 1129930109 /nfs/dbraw/zinc/93/01/09/1129930109.db2.gz UBWYIVYTPLOUIT-HEHGZKQESA-N 0 1 294.439 3.791 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1nc2ccc(C)cc2[nH]1 ZINC000769870005 1129930184 /nfs/dbraw/zinc/93/01/84/1129930184.db2.gz BAQROCOVJVMVAO-LLVKDONJSA-N 0 1 298.390 3.581 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NC/C=C\c1ccccc1 ZINC000769876649 1129930371 /nfs/dbraw/zinc/93/03/71/1129930371.db2.gz RXRLRWJIKHLCNY-BIRHUZIMSA-N 0 1 270.376 3.909 20 0 CHADMN Cc1ccc(NC(=O)c2c(O)cccc2Cl)c(C)c1O ZINC000770000866 1129935291 /nfs/dbraw/zinc/93/52/91/1129935291.db2.gz ZSGJVYZWFZEJHL-UHFFFAOYSA-N 0 1 291.734 3.620 20 0 CHADMN CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000901569196 1129936973 /nfs/dbraw/zinc/93/69/73/1129936973.db2.gz JSUROWDCBDNAEX-NVXWUHKLSA-N 0 1 287.403 3.566 20 0 CHADMN CC1(C)CCC[C@@H](C[N@@H+](CC(=O)[O-])Cc2ccccc2)C1 ZINC000901570522 1129937596 /nfs/dbraw/zinc/93/75/96/1129937596.db2.gz ZDTZLBMTIUGKBX-MRXNPFEDSA-N 0 1 289.419 3.790 20 0 CHADMN Cc1ccc([C@H](C)C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000901646187 1129940942 /nfs/dbraw/zinc/94/09/42/1129940942.db2.gz JZNPKYPGSPFMST-CQSZACIVSA-N 0 1 295.382 3.813 20 0 CHADMN CCc1nc([C@H](C)S[C@H](COC)c2ccccc2)n[nH]1 ZINC000901665976 1129942452 /nfs/dbraw/zinc/94/24/52/1129942452.db2.gz AZTYWSCXYKBHKM-WCQYABFASA-N 0 1 291.420 3.549 20 0 CHADMN C[C@@H]1CCCC[C@H]1C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000901671609 1129942964 /nfs/dbraw/zinc/94/29/64/1129942964.db2.gz BPNJODYYQVDKSA-CJNGLKHVSA-N 0 1 287.403 3.569 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000901699145 1129945632 /nfs/dbraw/zinc/94/56/32/1129945632.db2.gz KXYPLIHUGFERBE-HOCLYGCPSA-N 0 1 269.429 3.780 20 0 CHADMN Cc1nc2cccc(C(=O)NC3CCCCCCC3)c2[nH]1 ZINC000801797857 1129946305 /nfs/dbraw/zinc/94/63/05/1129946305.db2.gz NZZYSFQVJZLQAS-UHFFFAOYSA-N 0 1 285.391 3.714 20 0 CHADMN CCN(C(=O)c1cccc2nc(C)[nH]c21)c1ccc(C)cc1 ZINC000801813439 1129947479 /nfs/dbraw/zinc/94/74/79/1129947479.db2.gz UIORRFZRBLDESF-UHFFFAOYSA-N 0 1 293.370 3.846 20 0 CHADMN CN1CCCc2cc(NCc3ccc4nc[nH]c4c3)ccc21 ZINC000770541807 1129950991 /nfs/dbraw/zinc/95/09/91/1129950991.db2.gz ZPIXJJWLBHTGOJ-UHFFFAOYSA-N 0 1 292.386 3.557 20 0 CHADMN CC(C)C[N@@H+](CC(C)(C)C(=O)[O-])[C@H](C)Cc1ccsc1 ZINC000901838745 1129958465 /nfs/dbraw/zinc/95/84/65/1129958465.db2.gz LKIOKTVMSHPANG-CYBMUJFWSA-N 0 1 297.464 3.748 20 0 CHADMN CC(C)C[C@H](C)C[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000901840004 1129958643 /nfs/dbraw/zinc/95/86/43/1129958643.db2.gz CQYSUWXJFXCCCV-AWEZNQCLSA-N 0 1 271.445 3.737 20 0 CHADMN CC(C)C[N@@H+](C[C@@H]1CCC[C@@H](C)C1)CC(C)(C)C(=O)[O-] ZINC000901837988 1129958833 /nfs/dbraw/zinc/95/88/33/1129958833.db2.gz FPFNCFKEJPBQEU-HUUCEWRRSA-N 0 1 283.456 3.882 20 0 CHADMN CC(C)C[N@@H+](C[C@@H]1CCCC[C@H]1C)CC(C)(C)C(=O)[O-] ZINC000901840893 1129959011 /nfs/dbraw/zinc/95/90/11/1129959011.db2.gz QIPAINAYFNXHTM-CABCVRRESA-N 0 1 283.456 3.882 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@@H+](CCC(=O)[O-])C1CC1 ZINC000901971320 1129968737 /nfs/dbraw/zinc/96/87/37/1129968737.db2.gz HWHSYQPMMGMERA-CYBMUJFWSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)C[C@H](C[N@@H+](CCC(=O)[O-])C1CC1)c1ccccc1 ZINC000901972145 1129968882 /nfs/dbraw/zinc/96/88/82/1129968882.db2.gz OFCBCVHTWKJDJJ-MRXNPFEDSA-N 0 1 289.419 3.755 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])C[C@H](C)CC1CCCCC1 ZINC000901980255 1129969303 /nfs/dbraw/zinc/96/93/03/1129969303.db2.gz KTPKLLMINZVUCF-CQSZACIVSA-N 0 1 269.429 3.778 20 0 CHADMN C[C@@H](C[N@@H+](CCCC1CCCCC1)C1CC1)C(=O)[O-] ZINC000901995199 1129970754 /nfs/dbraw/zinc/97/07/54/1129970754.db2.gz YKYRMSJRLUJLKL-ZDUSSCGKSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CC(=O)[O-])c1ccccc1 ZINC000902006819 1129971182 /nfs/dbraw/zinc/97/11/82/1129971182.db2.gz HIMHSICSRARLAO-IRXDYDNUSA-N 0 1 289.419 3.755 20 0 CHADMN Cc1cc(C)cc([C@H](O)CN2CCc3ccc(F)cc3C2)c1 ZINC000771119419 1129971559 /nfs/dbraw/zinc/97/15/59/1129971559.db2.gz FATRUSQUVXIKMZ-LJQANCHMSA-N 0 1 299.389 3.534 20 0 CHADMN CC(C)c1ccc(CC[N@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])cc1 ZINC000902018033 1129971746 /nfs/dbraw/zinc/97/17/46/1129971746.db2.gz SDEKAHZPCINGOB-YOEHRIQHSA-N 0 1 289.419 3.538 20 0 CHADMN CCCc1cccc(C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000902022078 1129972061 /nfs/dbraw/zinc/97/20/61/1129972061.db2.gz KQTSIKWMMBWMRS-INIZCTEOSA-N 0 1 277.408 3.570 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000902021597 1129972076 /nfs/dbraw/zinc/97/20/76/1129972076.db2.gz FGPZDFNFYLUERF-HNNXBMFYSA-N 0 1 297.826 3.888 20 0 CHADMN C[C@@]1(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])C[C@H]1c1ccccc1 ZINC000902035416 1129973183 /nfs/dbraw/zinc/97/31/83/1129973183.db2.gz PDKWZXYSLSGIRL-JZXOWHBKSA-N 0 1 287.403 3.509 20 0 CHADMN C[C@@H](C[N@H+]1CCCCC[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000902039504 1129973380 /nfs/dbraw/zinc/97/33/80/1129973380.db2.gz WTLQCIZBTYEGGL-WFASDCNBSA-N 0 1 295.810 3.773 20 0 CHADMN Fc1ccc(CN[C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000771180845 1129973716 /nfs/dbraw/zinc/97/37/16/1129973716.db2.gz KEAIWVLRICKBKH-CYBMUJFWSA-N 0 1 276.742 3.651 20 0 CHADMN Clc1ccc2c(n1)[C@H](N[C@@H]1CCc3ccccc31)CC2 ZINC000771174930 1129974206 /nfs/dbraw/zinc/97/42/06/1129974206.db2.gz CWBKGKFCVWZALO-HUUCEWRRSA-N 0 1 284.790 3.999 20 0 CHADMN Clc1ccc2c(n1)[C@@H](N[C@@H]1CCc3ccccc31)CC2 ZINC000771174925 1129974332 /nfs/dbraw/zinc/97/43/32/1129974332.db2.gz CWBKGKFCVWZALO-CABCVRRESA-N 0 1 284.790 3.999 20 0 CHADMN CCNc1ccccc1CNCc1ccccc1OCC ZINC000902089418 1129978637 /nfs/dbraw/zinc/97/86/37/1129978637.db2.gz CIMBIAILOSBBRX-UHFFFAOYSA-N 0 1 284.403 3.807 20 0 CHADMN Cc1cnc([C@H](C)N2CCCN(c3ccc(C)cc3)CC2)o1 ZINC000771442598 1129980887 /nfs/dbraw/zinc/98/08/87/1129980887.db2.gz IVMNOWDVBNBZBY-INIZCTEOSA-N 0 1 299.418 3.565 20 0 CHADMN C[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1nc2ccccc2s1 ZINC000691502028 1129981564 /nfs/dbraw/zinc/98/15/64/1129981564.db2.gz SFUAHRPHCMHWOW-ZKYQVNSYSA-N 0 1 288.416 3.514 20 0 CHADMN O=C(/C=C\c1ccsc1)Nc1cc(F)cc(Cl)c1O ZINC000771504078 1129982810 /nfs/dbraw/zinc/98/28/10/1129982810.db2.gz JGJSBVXDXVOQMH-UPHRSURJSA-N 0 1 297.738 3.898 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(Cl)n2)CC12CCC2 ZINC000771465356 1129983012 /nfs/dbraw/zinc/98/30/12/1129983012.db2.gz UGURJUJLSUJUNQ-GFCCVEGCSA-N 0 1 264.800 3.747 20 0 CHADMN CNc1ccccc1CNCc1ccccc1OC1CCC1 ZINC000902255374 1129993894 /nfs/dbraw/zinc/99/38/94/1129993894.db2.gz LLIMJUAPYFCAQM-UHFFFAOYSA-N 0 1 296.414 3.949 20 0 CHADMN CNc1ccc(C)cc1CNC1(c2cccc(F)c2)CC1 ZINC000902260873 1129994041 /nfs/dbraw/zinc/99/40/41/1129994041.db2.gz JSHWQZNOCYJSFN-UHFFFAOYSA-N 0 1 284.378 3.955 20 0 CHADMN Cc1nonc1CN([C@H](C)c1ccccc1)C1CCCC1 ZINC000823109850 1131412633 /nfs/dbraw/zinc/41/26/33/1131412633.db2.gz FWXYBLAXAOBKNK-CQSZACIVSA-N 0 1 285.391 3.884 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000902373091 1130003787 /nfs/dbraw/zinc/00/37/87/1130003787.db2.gz NDVWRZDBZUTRHR-OAHLLOKOSA-N 0 1 299.370 3.584 20 0 CHADMN CCc1oc(C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)cc1C(=O)[O-] ZINC000902436800 1130011877 /nfs/dbraw/zinc/01/18/77/1130011877.db2.gz KVUBXCNAHPPIMT-PXAZEXFGSA-N 0 1 291.391 3.552 20 0 CHADMN Cc1cn[nH]c1CSCc1cc(C(F)(F)F)co1 ZINC000902437197 1130011992 /nfs/dbraw/zinc/01/19/92/1130011992.db2.gz AGLRUAFTNGMLOC-UHFFFAOYSA-N 0 1 276.283 3.763 20 0 CHADMN Nc1nc(CN[C@@H](CC2CCC2)c2ccccc2)cs1 ZINC000902489213 1130016536 /nfs/dbraw/zinc/01/65/36/1130016536.db2.gz JRNJKPYBOACFIR-HNNXBMFYSA-N 0 1 287.432 3.746 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@H]2NCc1csc(N)n1 ZINC000902498630 1130018951 /nfs/dbraw/zinc/01/89/51/1130018951.db2.gz GUGXDSVTVXYGBA-CQSZACIVSA-N 0 1 287.432 3.509 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902523977 1130019481 /nfs/dbraw/zinc/01/94/81/1130019481.db2.gz IFIIDQSGOMRCBW-INIZCTEOSA-N 0 1 298.386 3.553 20 0 CHADMN CCC[C@@H](C)[N@@H+](C)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902524551 1130019494 /nfs/dbraw/zinc/01/94/94/1130019494.db2.gz VQQDTHPYKIZLIV-GFCCVEGCSA-N 0 1 286.375 3.553 20 0 CHADMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902528152 1130020458 /nfs/dbraw/zinc/02/04/58/1130020458.db2.gz MWGGUIQRPKKKIK-JSGCOSHPSA-N 0 1 298.386 3.696 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000902540871 1130022028 /nfs/dbraw/zinc/02/20/28/1130022028.db2.gz GUTVQUJQMFAWAE-FMKPAKJESA-N 0 1 289.419 3.754 20 0 CHADMN CNc1ccc(C)cc1CNC(C)(C)c1c(C)noc1C ZINC000902564994 1130025794 /nfs/dbraw/zinc/02/57/94/1130025794.db2.gz YECDFQWCSMHJNU-UHFFFAOYSA-N 0 1 287.407 3.666 20 0 CHADMN COc1ccc(-c2cccc(C(C)=O)c2)cc1CN(C)C ZINC001239638760 1130028538 /nfs/dbraw/zinc/02/85/38/1130028538.db2.gz GXZYMWBLLFRMOI-UHFFFAOYSA-N 0 1 283.371 3.626 20 0 CHADMN CCn1cnc(CN[C@@H](c2cccc(C)c2)C(C)C)c1 ZINC000902626284 1130032256 /nfs/dbraw/zinc/03/22/56/1130032256.db2.gz UICJWMPMILESES-QGZVFWFLSA-N 0 1 271.408 3.698 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)O[C@@H](C)C1CC1 ZINC000772645587 1130034507 /nfs/dbraw/zinc/03/45/07/1130034507.db2.gz QJIBMKQPXPKJIH-LBPRGKRZSA-N 0 1 284.359 3.649 20 0 CHADMN CNc1ccc(C)cc1CN[C@@H]1CCCc2cccnc21 ZINC000902656723 1130035387 /nfs/dbraw/zinc/03/53/87/1130035387.db2.gz IREUYZNRJVREAK-QGZVFWFLSA-N 0 1 281.403 3.599 20 0 CHADMN CN1Cc2ccccc2[C@H](NCc2cc(Cl)cs2)C1 ZINC000785503744 1130036786 /nfs/dbraw/zinc/03/67/86/1130036786.db2.gz PJNYJMWYMWERLP-OAHLLOKOSA-N 0 1 292.835 3.678 20 0 CHADMN Oc1cc(-c2cccc3cncn32)cc(C(F)(F)F)c1 ZINC001242783630 1130039744 /nfs/dbraw/zinc/03/97/44/1130039744.db2.gz JZGBRZGTCFIGIC-UHFFFAOYSA-N 0 1 278.233 3.726 20 0 CHADMN COc1cccc(OC)c1-c1cc2nc[nH]c2c(C)c1 ZINC001239672261 1130044975 /nfs/dbraw/zinc/04/49/75/1130044975.db2.gz VUUXYMQHSNJSQG-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN CCCn1cc([C@H](C)N[C@@H](c2ccccc2)C(C)C)nn1 ZINC000902730396 1130046077 /nfs/dbraw/zinc/04/60/77/1130046077.db2.gz QNQHDFFYNXERBK-WMLDXEAASA-N 0 1 286.423 3.736 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H](C)c1cn(C)nn1)C(C)(C)C ZINC000902836193 1130067147 /nfs/dbraw/zinc/06/71/47/1130067147.db2.gz VDVISVXLXPSOMP-BBRMVZONSA-N 0 1 286.423 3.562 20 0 CHADMN COC(=O)c1cccc(-c2cccc(C3=NCCC3)c2)c1 ZINC001239733313 1130080340 /nfs/dbraw/zinc/08/03/40/1130080340.db2.gz BURFIKNFYLUUCC-UHFFFAOYSA-N 0 1 279.339 3.723 20 0 CHADMN C[C@H](NCCOC(C)(C)C)c1ccc(C(F)(F)F)cn1 ZINC000902906829 1130081633 /nfs/dbraw/zinc/08/16/33/1130081633.db2.gz ISOCCCSLWVZTNU-JTQLQIEISA-N 0 1 290.329 3.566 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)OCCCSCC(C)C ZINC000786348203 1130087729 /nfs/dbraw/zinc/08/77/29/1130087729.db2.gz BKCSHSBMPXWEBY-UHFFFAOYSA-N 0 1 298.452 3.778 20 0 CHADMN COc1cccc(-c2cccc(CN(C)C)c2F)c1F ZINC001239750997 1130092028 /nfs/dbraw/zinc/09/20/28/1130092028.db2.gz BJFAWLLLCGIZAD-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN COc1ccc(C)cc1-c1cc2[nH]cnc2cc1C ZINC001239767444 1130099142 /nfs/dbraw/zinc/09/91/42/1130099142.db2.gz FYCRKWOTSONTHO-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(C(F)(F)F)cn2)ccn1 ZINC000903004724 1130099171 /nfs/dbraw/zinc/09/91/71/1130099171.db2.gz GRHHRSFLCSCHQN-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN CC(=O)Nc1ccccc1-c1ccc(CN(C)C)c(F)c1 ZINC001239782392 1130105884 /nfs/dbraw/zinc/10/58/84/1130105884.db2.gz PZGUXAVVKTVNCM-UHFFFAOYSA-N 0 1 286.350 3.513 20 0 CHADMN CC[C@@H](N[C@H](c1nncn1C)C(C)C)c1ccc(C)cc1 ZINC000903061203 1130107131 /nfs/dbraw/zinc/10/71/31/1130107131.db2.gz LCLDFLFQPRCBGQ-CVEARBPZSA-N 0 1 286.423 3.562 20 0 CHADMN CC(C)[C@H](O)CNC1(c2ccc(Cl)cc2Cl)CC1 ZINC001253781510 1130109234 /nfs/dbraw/zinc/10/92/34/1130109234.db2.gz GPXLQEJMYUFORC-CYBMUJFWSA-N 0 1 288.218 3.589 20 0 CHADMN Fc1ccc(N[C@H]2CCCc3cn[nH]c32)cc1C(F)F ZINC000903083049 1130109305 /nfs/dbraw/zinc/10/93/05/1130109305.db2.gz YRSMXXBRSJECPF-LBPRGKRZSA-N 0 1 281.281 3.976 20 0 CHADMN O=C(O[C@@H]1CCc2ccccc21)[C@H]1CCCN1C1CCCC1 ZINC000786880895 1130121565 /nfs/dbraw/zinc/12/15/65/1130121565.db2.gz IDAZLNXZRQRDEE-QZTJIDSGSA-N 0 1 299.414 3.624 20 0 CHADMN Fc1ccc([C@H](NC[C@]23C[C@H]2CCCC3)c2ncc[nH]2)cc1 ZINC000903162350 1130122152 /nfs/dbraw/zinc/12/21/52/1130122152.db2.gz DFBMLMIPDFFHKU-HFTRVMKXSA-N 0 1 299.393 3.808 20 0 CHADMN COc1ccc(-c2cc(N3CCCC3)ccn2)c(C)c1 ZINC001239822731 1130124310 /nfs/dbraw/zinc/12/43/10/1130124310.db2.gz UKVVNCQDUUUNSS-UHFFFAOYSA-N 0 1 268.360 3.666 20 0 CHADMN c1cc2c(o1)CCC[C@H]2NCc1nccc2c1CCCC2 ZINC000903182831 1130125790 /nfs/dbraw/zinc/12/57/90/1130125790.db2.gz VNPYDGXYIYLBBW-MRXNPFEDSA-N 0 1 282.387 3.721 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1cnn(CC2CCC2)c1 ZINC000903185079 1130126071 /nfs/dbraw/zinc/12/60/71/1130126071.db2.gz HCXHNTBLFHLKGZ-DAXOMENPSA-N 0 1 279.403 3.615 20 0 CHADMN C[C@@H](NCc1nccc2c1CCCC2)c1ccccc1 ZINC000903184797 1130126294 /nfs/dbraw/zinc/12/62/94/1130126294.db2.gz ODJSICPVWPWOFC-CQSZACIVSA-N 0 1 266.388 3.811 20 0 CHADMN COc1cccc([C@H](C)NCc2nccc3c2CCCC3)c1 ZINC000903187842 1130126803 /nfs/dbraw/zinc/12/68/03/1130126803.db2.gz INXXVYZTQDOMRH-AWEZNQCLSA-N 0 1 296.414 3.820 20 0 CHADMN CCC[C@H](NCc1ccc2c(c1)ncn2C)c1ccccn1 ZINC000903204149 1130130466 /nfs/dbraw/zinc/13/04/66/1130130466.db2.gz KODLXZGIECTGBD-HNNXBMFYSA-N 0 1 294.402 3.599 20 0 CHADMN COc1c(Cl)cccc1CN[C@@H](C)c1cnccc1C ZINC000903245526 1130136062 /nfs/dbraw/zinc/13/60/62/1130136062.db2.gz GEUVUCHAVODSKV-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN c1nc2c(s1)CCC[C@H]2N[C@H]1CCOC12CCCCC2 ZINC000903267975 1130140884 /nfs/dbraw/zinc/14/08/84/1130140884.db2.gz JCEYQIIGZCYVIB-OCCSQVGLSA-N 0 1 292.448 3.602 20 0 CHADMN COc1ncc(-c2nc(C)cc3[nH]ccc32)cc1Cl ZINC001242930593 1130141412 /nfs/dbraw/zinc/14/14/12/1130141412.db2.gz MTLCERLRVPZLSF-UHFFFAOYSA-N 0 1 273.723 3.595 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1Cc1ccc(F)nc1C ZINC000787275696 1130144767 /nfs/dbraw/zinc/14/47/67/1130144767.db2.gz QWMDCPJCZXVSMP-KRWDZBQOSA-N 0 1 284.378 3.866 20 0 CHADMN CCS[C@H]1CCCC[C@@H]1NCc1ncc(C(C)C)o1 ZINC000787306201 1130145913 /nfs/dbraw/zinc/14/59/13/1130145913.db2.gz KUBBUVLBACEONW-JSGCOSHPSA-N 0 1 282.453 3.952 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c(O)cccc21)c1cncs1 ZINC000903312116 1130151598 /nfs/dbraw/zinc/15/15/98/1130151598.db2.gz SKFXPDMJDVDCOV-GXFFZTMASA-N 0 1 274.389 3.577 20 0 CHADMN Cc1ccccc1C1CC(N[C@H](c2ncccn2)C2CC2)C1 ZINC000903327797 1130155853 /nfs/dbraw/zinc/15/58/53/1130155853.db2.gz ZEENBPZHGNKLOF-HTWSVDAQSA-N 0 1 293.414 3.772 20 0 CHADMN CCC[C@H](NCc1ccc2nonc2c1)c1cc(C)ccn1 ZINC000903327847 1130156107 /nfs/dbraw/zinc/15/61/07/1130156107.db2.gz AANCMODZRGSYQO-AWEZNQCLSA-N 0 1 296.374 3.557 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@H](c1ncccc1C)C(C)(C)C ZINC000903328807 1130157297 /nfs/dbraw/zinc/15/72/97/1130157297.db2.gz OMRMXSUJKYFLRK-MLGOLLRUSA-N 0 1 286.423 3.860 20 0 CHADMN Cc1cccnc1[C@H](N[C@@H](C)c1cncnc1C)C(C)(C)C ZINC000903330571 1130157616 /nfs/dbraw/zinc/15/76/16/1130157616.db2.gz WPXQDKBYIPXIBZ-YOEHRIQHSA-N 0 1 298.434 3.926 20 0 CHADMN CC[C@H](N[C@@H](c1ccccn1)C1CC1)c1ccncc1 ZINC000903336522 1130161610 /nfs/dbraw/zinc/16/16/10/1130161610.db2.gz ZTLYPXNETGTLKE-DOTOQJQBSA-N 0 1 267.376 3.669 20 0 CHADMN COc1cccc([C@H](C)N[C@H](c2ccccn2)C2CC2)c1 ZINC000903339094 1130162670 /nfs/dbraw/zinc/16/26/70/1130162670.db2.gz KNTLRKHGSJRYCY-UGSOOPFHSA-N 0 1 282.387 3.892 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2N[C@@H](c1ccccn1)C1CC1 ZINC000903341075 1130162945 /nfs/dbraw/zinc/16/29/45/1130162945.db2.gz VUFIOHHXUBOVRP-SJLPKXTDSA-N 0 1 282.362 3.949 20 0 CHADMN CC(C)CCC[C@@H](C)N1CCC(F)(F)[C@H](F)C1 ZINC001170078040 1130164444 /nfs/dbraw/zinc/16/44/44/1130164444.db2.gz OQLIEPLOTRSKKL-VXGBXAGGSA-N 0 1 251.336 3.880 20 0 CHADMN CC(C)Oc1ccc(-c2cccc3cncn32)cc1 ZINC001239960215 1130172924 /nfs/dbraw/zinc/17/29/24/1130172924.db2.gz SZAFDJANDYXINU-UHFFFAOYSA-N 0 1 252.317 3.789 20 0 CHADMN CCCOc1ccc(-c2nccc3c2CCN3)c(F)c1F ZINC001239965175 1130174735 /nfs/dbraw/zinc/17/47/35/1130174735.db2.gz VPFSFDRWWANCTC-UHFFFAOYSA-N 0 1 290.313 3.784 20 0 CHADMN C[C@H](N[C@@H](c1ccncc1)C1CC1)c1ccnn1C1CCC1 ZINC000903428641 1130175669 /nfs/dbraw/zinc/17/56/69/1130175669.db2.gz JKJDHCRSDLNDOH-SCLBCKFNSA-N 0 1 296.418 3.805 20 0 CHADMN Clc1ccnc2c1CC[C@H]2N[C@H](c1ccncc1)C1CC1 ZINC000903430595 1130176552 /nfs/dbraw/zinc/17/65/52/1130176552.db2.gz YPHMDMFCQDYFCF-CVEARBPZSA-N 0 1 299.805 3.858 20 0 CHADMN C[C@@H](N[C@H](c1ccncc1)C1CC1)c1ccncc1Cl ZINC000903430208 1130176630 /nfs/dbraw/zinc/17/66/30/1130176630.db2.gz VOLREYWCXAKWQU-BZNIZROVSA-N 0 1 287.794 3.932 20 0 CHADMN Cc1nc(C(C)C)sc1[C@@H](C)NC/C=C\Cl ZINC000903443581 1130177803 /nfs/dbraw/zinc/17/78/03/1130177803.db2.gz IQEMGNOPYSVOPS-SSJHQANKSA-N 0 1 258.818 3.978 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000903590836 1130182541 /nfs/dbraw/zinc/18/25/41/1130182541.db2.gz AQGWBAZLKWEHAF-LMRQPLJMSA-N 0 1 293.382 3.503 20 0 CHADMN CCC[N@@H+](CCc1cccc(F)c1)[C@H](C(=O)[O-])[C@@H](C)CC ZINC000903597813 1130183499 /nfs/dbraw/zinc/18/34/99/1130183499.db2.gz PKVCOSOVQAZFCL-BBRMVZONSA-N 0 1 295.398 3.580 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCCC2(CCCC2)CC1 ZINC000903602014 1130185049 /nfs/dbraw/zinc/18/50/49/1130185049.db2.gz LWELCTHRBBOZKM-KBPBESRZSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@@H](OC(=O)[C@H](C(C)C)N(C)C)c1ccc(F)cc1F ZINC000803695919 1130186323 /nfs/dbraw/zinc/18/63/23/1130186323.db2.gz HJPMKUZCHHZLQI-CABCVRRESA-N 0 1 299.361 3.545 20 0 CHADMN CC(C)(C)N(Cc1ccccc1)Cc1cnc(Cl)cn1 ZINC000788488398 1130190117 /nfs/dbraw/zinc/19/01/17/1130190117.db2.gz PJGTUOFGAWVFIF-UHFFFAOYSA-N 0 1 289.810 3.931 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903696477 1130190195 /nfs/dbraw/zinc/19/01/95/1130190195.db2.gz XSYZFPVMEJHIEW-HOCLYGCPSA-N 0 1 287.403 3.509 20 0 CHADMN CC(C)[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1cccc(F)c1 ZINC000903696326 1130190647 /nfs/dbraw/zinc/19/06/47/1130190647.db2.gz FLWIOWPFWYUUQV-UHFFFAOYSA-N 0 1 293.382 3.681 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCCC[C@H]2CC2CCC2)CCC1 ZINC000903707340 1130192461 /nfs/dbraw/zinc/19/24/61/1130192461.db2.gz UXIQWFQAYDSFCG-HNNXBMFYSA-N 0 1 279.424 3.676 20 0 CHADMN CC(C)(NCc1ccc(-c2cc[nH]n2)o1)c1ccc(F)cc1 ZINC000788514789 1130192693 /nfs/dbraw/zinc/19/26/93/1130192693.db2.gz ZJHUSIWVQCIEMH-UHFFFAOYSA-N 0 1 299.349 3.834 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)CC1 ZINC000903889551 1130208196 /nfs/dbraw/zinc/20/81/96/1130208196.db2.gz NZUCVFBKZHEYQL-CYBMUJFWSA-N 0 1 298.386 3.555 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@H](CCc2ccccc2)C(=O)[O-])CC1 ZINC000903893529 1130208637 /nfs/dbraw/zinc/20/86/37/1130208637.db2.gz FAYZNVRLVNGOBG-DOTOQJQBSA-N 0 1 289.419 3.585 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@@H](CCc2ccccc2)C(=O)[O-])CC1 ZINC000903893531 1130209416 /nfs/dbraw/zinc/20/94/16/1130209416.db2.gz FAYZNVRLVNGOBG-RDJZCZTQSA-N 0 1 289.419 3.585 20 0 CHADMN CC1(C)C[C@@H](c2ccccc2)C[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000903934270 1130210222 /nfs/dbraw/zinc/21/02/22/1130210222.db2.gz LCUMLLMODMAVAB-OAHLLOKOSA-N 0 1 299.370 3.746 20 0 CHADMN C[C@H](C[N@@H+](C)[C@@H](CCc1ccccc1)C(=O)[O-])C(C)(C)C ZINC000903913708 1130210870 /nfs/dbraw/zinc/21/08/70/1130210870.db2.gz SQKGTZRFRRYRED-ZBFHGGJFSA-N 0 1 291.435 3.686 20 0 CHADMN COc1ccccc1CN[C@H]1c2ccccc2NC1(C)C ZINC000903948023 1130211380 /nfs/dbraw/zinc/21/13/80/1130211380.db2.gz LCJDBCVCQUABTP-KRWDZBQOSA-N 0 1 282.387 3.730 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CC2CCCCCC2)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903949384 1130212237 /nfs/dbraw/zinc/21/22/37/1130212237.db2.gz AKSJUCHVZFEVOO-ORIJERBGSA-N 0 1 281.440 3.776 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCC2=CCCCC2)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903953353 1130212852 /nfs/dbraw/zinc/21/28/52/1130212852.db2.gz QXHMWOPMIVBFHP-HOSILWTGSA-N 0 1 279.424 3.697 20 0 CHADMN CCc1ccccc1C[N@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]1C ZINC000903952893 1130213511 /nfs/dbraw/zinc/21/35/11/1130213511.db2.gz MMYWLKYDBUMPJI-QDEZUTFSSA-N 0 1 289.419 3.569 20 0 CHADMN COc1ccc(F)c(-c2ccc(F)c(CN(C)C)c2)c1 ZINC001240120422 1130217615 /nfs/dbraw/zinc/21/76/15/1130217615.db2.gz PHBHOGNWFKGZOM-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN Cc1n[nH]c(C)c1-c1cc(F)c(CN2CCCC2)c(F)c1 ZINC001240127157 1130218216 /nfs/dbraw/zinc/21/82/16/1130218216.db2.gz NNIXELGDMSWOAJ-UHFFFAOYSA-N 0 1 291.345 3.568 20 0 CHADMN CCc1cccc(Cl)c1CNC[C@@H](OC)C(F)(F)F ZINC000788964995 1130219726 /nfs/dbraw/zinc/21/97/26/1130219726.db2.gz SGGKUWDECLXVLX-GFCCVEGCSA-N 0 1 295.732 3.569 20 0 CHADMN C[C@H]1CC[C@@H](n2c3cc(Cl)ccc3nc2CN)C1 ZINC001170098260 1130232735 /nfs/dbraw/zinc/23/27/35/1130232735.db2.gz PWPXWTIPVVUYRF-GXSJLCMTSA-N 0 1 263.772 3.510 20 0 CHADMN Cc1ccc(-c2cc(F)c(CN3CCCC3)c(F)c2)cn1 ZINC001240227630 1130241649 /nfs/dbraw/zinc/24/16/49/1130241649.db2.gz WGHOWMAPQCGLMB-UHFFFAOYSA-N 0 1 288.341 3.931 20 0 CHADMN O=C(Oc1ccccc1Cl)c1[nH]nc2c1CCCCC2 ZINC000789344093 1130245445 /nfs/dbraw/zinc/24/54/45/1130245445.db2.gz XIDCSEVSTAQEPY-UHFFFAOYSA-N 0 1 290.750 3.551 20 0 CHADMN Cc1cc(-c2cccc(CCN3CCOCC3)c2)ccc1F ZINC001240266421 1130251971 /nfs/dbraw/zinc/25/19/71/1130251971.db2.gz XDDLOKHKQWTQPK-UHFFFAOYSA-N 0 1 299.389 3.676 20 0 CHADMN Cc1ccc(-c2cccc(CCN3CCOCC3)c2)c(F)c1 ZINC001240265551 1130252149 /nfs/dbraw/zinc/25/21/49/1130252149.db2.gz KWSIKAIKTLACGP-UHFFFAOYSA-N 0 1 299.389 3.676 20 0 CHADMN CCCC[C@](CC)(N[C@H]1CC[C@H](C)C1)C(=O)OCC ZINC001170109331 1130255395 /nfs/dbraw/zinc/25/53/95/1130255395.db2.gz NWFFOAGMYMROPZ-DZKIICNBSA-N 0 1 269.429 3.667 20 0 CHADMN Cc1csc(CN2CC[C@@]3(CC3(F)F)C2)c1Cl ZINC001137291101 1130306036 /nfs/dbraw/zinc/30/60/36/1130306036.db2.gz DVPODBPRHLYOIC-LLVKDONJSA-N 0 1 277.767 3.941 20 0 CHADMN CC=CC=CC(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000749051645 1130262089 /nfs/dbraw/zinc/26/20/89/1130262089.db2.gz IBZWXTYNJTVFLI-IAROGAJJSA-N 0 1 295.264 3.653 20 0 CHADMN CCCCO[C@H]1C[C@H](NCc2coc(C3CC3)n2)C1(C)C ZINC000749110257 1130264418 /nfs/dbraw/zinc/26/44/18/1130264418.db2.gz CGFXIMKVGJLQHN-GJZGRUSLSA-N 0 1 292.423 3.625 20 0 CHADMN C/C=C(\CC)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000789641936 1130267649 /nfs/dbraw/zinc/26/76/49/1130267649.db2.gz NQVUQDCLQJGBCR-BZFUBLJMSA-N 0 1 291.782 3.750 20 0 CHADMN Cn1ccc2c1ccnc2-c1ccnc(C(F)(F)F)c1 ZINC001240336401 1130268434 /nfs/dbraw/zinc/26/84/34/1130268434.db2.gz SNYKVTSSAMNAJM-UHFFFAOYSA-N 0 1 277.249 3.654 20 0 CHADMN CN(Cc1ccc(Cl)nc1)Cc1ccc2c(c1)CCC2 ZINC000749154634 1130269055 /nfs/dbraw/zinc/26/90/55/1130269055.db2.gz FKQGMHQIIWWZPY-UHFFFAOYSA-N 0 1 286.806 3.856 20 0 CHADMN CN(C)Cc1ccc(NC(=O)/C=C\c2ccccc2)cc1F ZINC000749156174 1130269660 /nfs/dbraw/zinc/26/96/60/1130269660.db2.gz XXBVGRZDGJHNRT-FLIBITNWSA-N 0 1 298.361 3.539 20 0 CHADMN CCC(CC)[N@@H+](C)Cc1cc(OC)ccc1Cl ZINC001137265140 1130271292 /nfs/dbraw/zinc/27/12/92/1130271292.db2.gz PNEWYHGMBNTAGT-UHFFFAOYSA-N 0 1 255.789 3.969 20 0 CHADMN Cc1nc2c[nH]cc(-c3ccc4ncsc4c3)c-2n1 ZINC001240344637 1130271721 /nfs/dbraw/zinc/27/17/21/1130271721.db2.gz BSFFWHZNEFXIIE-UHFFFAOYSA-N 0 1 266.329 3.543 20 0 CHADMN Cc1nc2c(cncc2-c2ccc3ncsc3c2)[nH]1 ZINC001240344637 1130271726 /nfs/dbraw/zinc/27/17/26/1130271726.db2.gz BSFFWHZNEFXIIE-UHFFFAOYSA-N 0 1 266.329 3.543 20 0 CHADMN C[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2cn[nH]c2C1 ZINC000676794767 1130272233 /nfs/dbraw/zinc/27/22/33/1130272233.db2.gz WKRAVFYSMQGEOT-SECBINFHSA-N 0 1 296.201 3.836 20 0 CHADMN Cc1c(CN(C)[C@H]2CCc3ccccc32)nc2ccccn12 ZINC001137277166 1130280261 /nfs/dbraw/zinc/28/02/61/1130280261.db2.gz SPWLJTXXNHWYMU-SFHVURJKSA-N 0 1 291.398 3.762 20 0 CHADMN CC(C)n1cnc2cc(-c3cccc4cncn43)ccc21 ZINC001240370830 1130282593 /nfs/dbraw/zinc/28/25/93/1130282593.db2.gz GRSDCKGITLRDEI-UHFFFAOYSA-N 0 1 276.343 3.932 20 0 CHADMN COc1ccc(F)nc1C1=CCCN(Cc2ccccc2)C1 ZINC001240389217 1130287835 /nfs/dbraw/zinc/28/78/35/1130287835.db2.gz ZNCLIGHADVSMGN-UHFFFAOYSA-N 0 1 298.361 3.519 20 0 CHADMN Fc1cc(C(F)(F)F)ccc1-c1nccc2c1CCN2 ZINC001240395813 1130291330 /nfs/dbraw/zinc/29/13/30/1130291330.db2.gz GEYPSCJRPRFBEX-UHFFFAOYSA-N 0 1 282.240 3.875 20 0 CHADMN Cc1csc(CN2CC[C@@H]3CCCO[C@@H]3C2)c1Cl ZINC001137287248 1130291977 /nfs/dbraw/zinc/29/19/77/1130291977.db2.gz DNHYLKKZPDGMOF-NWDGAFQWSA-N 0 1 285.840 3.711 20 0 CHADMN CC(C)c1ccc(OC(=O)c2ccc3cncn3c2)cc1 ZINC000790136534 1130291974 /nfs/dbraw/zinc/29/19/74/1130291974.db2.gz ZLHLTRXGKFZFDO-UHFFFAOYSA-N 0 1 280.327 3.677 20 0 CHADMN FC(F)(F)[C@@H]1CC[N@@H+](CCSCc2ccccc2)C1 ZINC000790315855 1130304287 /nfs/dbraw/zinc/30/42/87/1130304287.db2.gz XWFPOCQHYCGOSB-CYBMUJFWSA-N 0 1 289.366 3.804 20 0 CHADMN COC(=O)c1nc2ccc(-c3ccc4occc4c3)cc2[nH]1 ZINC001240425830 1130305865 /nfs/dbraw/zinc/30/58/65/1130305865.db2.gz IFWGCKNNEIHVTG-UHFFFAOYSA-N 0 1 292.294 3.763 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCC2(CC2)CC1 ZINC000677716522 1130321869 /nfs/dbraw/zinc/32/18/69/1130321869.db2.gz IPJQAVGQHKRWTE-UHFFFAOYSA-N 0 1 287.403 3.664 20 0 CHADMN Cc1ccc(OCCCN2CC3(C2)CC(F)(F)C3)cc1C ZINC000677730891 1130324870 /nfs/dbraw/zinc/32/48/70/1130324870.db2.gz HLOGDGVQFXHREZ-UHFFFAOYSA-N 0 1 295.373 3.803 20 0 CHADMN COc1cc(CN2CC[C@H](C(F)F)C2)ccc1SC ZINC000677734695 1130325886 /nfs/dbraw/zinc/32/58/86/1130325886.db2.gz VDVJXQRIEVBIKF-NSHDSACASA-N 0 1 287.375 3.504 20 0 CHADMN Cc1oc(-c2ccccc2)nc1CN1CC[C@H](C(F)F)C1 ZINC000677732592 1130326049 /nfs/dbraw/zinc/32/60/49/1130326049.db2.gz IJYCLLDHVVYODG-ZDUSSCGKSA-N 0 1 292.329 3.737 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CC[C@H](C(F)F)C1 ZINC000677735351 1130326776 /nfs/dbraw/zinc/32/67/76/1130326776.db2.gz ZANZFANMOQECPG-IUCAKERBSA-N 0 1 261.262 3.613 20 0 CHADMN Cc1ncc([C@H](C)N[C@H]2CSc3ccccc32)s1 ZINC000677756385 1130330430 /nfs/dbraw/zinc/33/04/30/1130330430.db2.gz WRFASDBSOYWWNC-CABZTGNLSA-N 0 1 276.430 3.949 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000677878768 1130337025 /nfs/dbraw/zinc/33/70/25/1130337025.db2.gz ZHLNWMRSLSTYNH-CYBMUJFWSA-N 0 1 299.418 3.717 20 0 CHADMN CCC(CC)(CC)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000677971800 1130339973 /nfs/dbraw/zinc/33/99/73/1130339973.db2.gz BEFMYPXTELSWLM-UHFFFAOYSA-N 0 1 287.407 3.704 20 0 CHADMN C[C@@H](O)c1ccc(CNCc2ccsc2Cl)cc1 ZINC000790956919 1130340826 /nfs/dbraw/zinc/34/08/26/1130340826.db2.gz XJRXWFRWHHNZGW-SNVBAGLBSA-N 0 1 281.808 3.745 20 0 CHADMN CCN(Cc1cc2ccccc2[nH]1)Cc1cccnc1 ZINC001137319362 1130341292 /nfs/dbraw/zinc/34/12/92/1130341292.db2.gz YECBDAAHYTWCCW-UHFFFAOYSA-N 0 1 265.360 3.585 20 0 CHADMN CCOc1ccc2ccccc2c1-c1cn[nH]c1C ZINC001240520938 1130341403 /nfs/dbraw/zinc/34/14/03/1130341403.db2.gz FSLJIICEJPEYJT-UHFFFAOYSA-N 0 1 252.317 3.937 20 0 CHADMN CC(C)COc1cccc(CN[C@@H](C)c2ccccn2)c1 ZINC000678029002 1130342211 /nfs/dbraw/zinc/34/22/11/1130342211.db2.gz AYVJEPPBWCRRAN-HNNXBMFYSA-N 0 1 284.403 3.967 20 0 CHADMN C[C@@H]1CC[C@H](N2CCc3c4ccccc4oc3C2)C1 ZINC001170147230 1130342433 /nfs/dbraw/zinc/34/24/33/1130342433.db2.gz BAEHVFUAZMXXTB-OLZOCXBDSA-N 0 1 255.361 3.980 20 0 CHADMN Cc1cccc([C@@H](O)CNCc2ccsc2Cl)c1 ZINC000790978036 1130345557 /nfs/dbraw/zinc/34/55/57/1130345557.db2.gz XPWGTXORBBEFDC-ZDUSSCGKSA-N 0 1 281.808 3.533 20 0 CHADMN c1c2ccccc2[nH]c1CN1CCOC[C@H]1C1CCCCC1 ZINC001137320724 1130346804 /nfs/dbraw/zinc/34/68/04/1130346804.db2.gz HOCBBNFRBVNXGM-IBGZPJMESA-N 0 1 298.430 3.949 20 0 CHADMN Cn1ccc2c1ccnc2-c1cccc(N2CCCC2)c1 ZINC001240533593 1130347165 /nfs/dbraw/zinc/34/71/65/1130347165.db2.gz SEEIPFRPERXOOB-UHFFFAOYSA-N 0 1 277.371 3.841 20 0 CHADMN CCCN(Cc1cn2cccc(F)c2n1)Cc1ccccc1 ZINC000678121387 1130351830 /nfs/dbraw/zinc/35/18/30/1130351830.db2.gz IZZWQPIMQRUTIT-UHFFFAOYSA-N 0 1 297.377 3.886 20 0 CHADMN C[N@@H+](Cc1[nH]nc2ccccc21)Cc1ccc(Cl)cc1 ZINC000678122730 1130352202 /nfs/dbraw/zinc/35/22/02/1130352202.db2.gz SYLWUBHDHQRETI-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CN(Cc1cccs1)Cc1nccc2ccccc21 ZINC000678122393 1130352288 /nfs/dbraw/zinc/35/22/88/1130352288.db2.gz NAUXKMFLRIHEEK-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN CC(C)c1ccc(CN(C)Cc2ccc(N(C)C)nc2)cc1 ZINC000678122732 1130352475 /nfs/dbraw/zinc/35/24/75/1130352475.db2.gz TVIKEOSEVOQDBF-UHFFFAOYSA-N 0 1 297.446 3.903 20 0 CHADMN C[C@H](CN1C[C@H](C(F)(F)F)OC[C@@H]1C)C1CCCCC1 ZINC001170148967 1130354595 /nfs/dbraw/zinc/35/45/95/1130354595.db2.gz LJZQSVWVJXFLJD-MBNYWOFBSA-N 0 1 293.373 3.854 20 0 CHADMN CCc1ccc(COC(=O)c2c(F)cc(O)cc2F)cc1 ZINC000746988575 1130357663 /nfs/dbraw/zinc/35/76/63/1130357663.db2.gz YDUCZUZFEHNBJR-UHFFFAOYSA-N 0 1 292.281 3.590 20 0 CHADMN c1cc(-c2cccc(-c3cc4[nH]ccc4cn3)c2)n[nH]1 ZINC001240561143 1130358827 /nfs/dbraw/zinc/35/88/27/1130358827.db2.gz YQJKVUGRFMMSQE-UHFFFAOYSA-N 0 1 260.300 3.620 20 0 CHADMN C[C@@H]1CC[C@@H]([N@H+]2Cc3cnc(-c4ccccc4)nc3C2)C1 ZINC001170150697 1130358943 /nfs/dbraw/zinc/35/89/43/1130358943.db2.gz OLOKVZNYROEZOG-CZUORRHYSA-N 0 1 279.387 3.648 20 0 CHADMN Fc1ccc(CN2CCC(c3cccnc3)CC2)cc1F ZINC000678166893 1130362549 /nfs/dbraw/zinc/36/25/49/1130362549.db2.gz DWELEFIYAMFCAS-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN CCCCN(Cc1cn(C)nc1C)[C@@H](C)c1ccc(C)o1 ZINC000678163041 1130362948 /nfs/dbraw/zinc/36/29/48/1130362948.db2.gz LFMFPOKTIVSDOS-HNNXBMFYSA-N 0 1 289.423 3.993 20 0 CHADMN CCCCN(Cc1c[nH]nc1C)[C@H](C)c1ccc(C)o1 ZINC000678162535 1130363152 /nfs/dbraw/zinc/36/31/52/1130363152.db2.gz FHZNJRUCLKXDSS-CQSZACIVSA-N 0 1 275.396 3.983 20 0 CHADMN C[C@@H]1c2ccccc2OCCN1Cc1[nH]nc2ccccc21 ZINC000678196729 1130368644 /nfs/dbraw/zinc/36/86/44/1130368644.db2.gz CXVGNJMSRSIYND-CYBMUJFWSA-N 0 1 293.370 3.519 20 0 CHADMN CCN(Cc1ccccc1Cl)C[C@@H](O)c1ccccc1 ZINC000791449449 1130375279 /nfs/dbraw/zinc/37/52/79/1130375279.db2.gz AYWDIIFJNKRYDW-QGZVFWFLSA-N 0 1 289.806 3.896 20 0 CHADMN Cc1nc2cncc(-c3ccc(N4CCCC4)cc3)c2[nH]1 ZINC001240591961 1130376748 /nfs/dbraw/zinc/37/67/48/1130376748.db2.gz SHRJUQLAVMVREF-UHFFFAOYSA-N 0 1 278.359 3.534 20 0 CHADMN CCn1nc(C)c(CN2CCCc3sccc3C2)c1C ZINC000678259747 1130379773 /nfs/dbraw/zinc/37/97/73/1130379773.db2.gz YKNPGIUSUYIBGY-UHFFFAOYSA-N 0 1 289.448 3.530 20 0 CHADMN CNc1ncc2cc(-c3cc4nc[nH]c4c(C)c3)ccc2n1 ZINC001240600605 1130382403 /nfs/dbraw/zinc/38/24/03/1130382403.db2.gz VRMPVKYYOKUFEQ-UHFFFAOYSA-N 0 1 289.342 3.523 20 0 CHADMN c1cc2c(s1)CN(Cc1nccc3ccccc31)CC2 ZINC000678268098 1130384089 /nfs/dbraw/zinc/38/40/89/1130384089.db2.gz XJBRLBMPCXPKHI-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN CCCn1cc(CN2CCc3ccccc3[C@H]2CC)cn1 ZINC000678266563 1130384523 /nfs/dbraw/zinc/38/45/23/1130384523.db2.gz JVQIEGFUOGDMNO-GOSISDBHSA-N 0 1 283.419 3.803 20 0 CHADMN C[C@@H]1C[C@@H](C)N1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000791566569 1130385376 /nfs/dbraw/zinc/38/53/76/1130385376.db2.gz OUZZMJLNTBTHCJ-KKFJDGPESA-N 0 1 274.191 3.510 20 0 CHADMN COc1ccc(CN(C)Cc2cc3ccccc3[nH]2)cc1 ZINC000678278922 1130387950 /nfs/dbraw/zinc/38/79/50/1130387950.db2.gz GJYSFUGHOKCPNK-UHFFFAOYSA-N 0 1 280.371 3.809 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN2C3CCCC2CCC3)o1 ZINC000678279643 1130388667 /nfs/dbraw/zinc/38/86/67/1130388667.db2.gz PRGHTIJAPCQNJW-UHFFFAOYSA-N 0 1 285.391 3.885 20 0 CHADMN O=C(OCc1ccccc1)[C@@H]1CCCCN1C1CCCC1 ZINC000791643342 1130389033 /nfs/dbraw/zinc/38/90/33/1130389033.db2.gz SGCFGKNWIXPZPD-KRWDZBQOSA-N 0 1 287.403 3.527 20 0 CHADMN Cc1nn(C)cc1[C@@H]1CCCN1Cc1cc(C)ccc1F ZINC000678338075 1130402193 /nfs/dbraw/zinc/40/21/93/1130402193.db2.gz IYIRHXCMPIVJRU-KRWDZBQOSA-N 0 1 287.382 3.513 20 0 CHADMN CC(C)=C[C@H]1[C@H](C(=O)Nc2c(C)n[nH]c2C(F)F)C1(C)C ZINC000678346443 1130402849 /nfs/dbraw/zinc/40/28/49/1130402849.db2.gz CZWRZDYOMUQDGS-VHSXEESVSA-N 0 1 297.349 3.833 20 0 CHADMN COc1cc(-c2cc3[nH]cnc3cc2C)cc(F)c1F ZINC001240661661 1130408217 /nfs/dbraw/zinc/40/82/17/1130408217.db2.gz IXPZBCYOMQOLMC-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccccn2)c(C)n1 ZINC000678411541 1130411620 /nfs/dbraw/zinc/41/16/20/1130411620.db2.gz FGDYTQOKGBAQRJ-UONOGXRCSA-N 0 1 255.365 3.505 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@H](C)c1ccc(C)nc1C ZINC000678426494 1130415277 /nfs/dbraw/zinc/41/52/77/1130415277.db2.gz GZKKMBSYZFEGRS-NEPJUHHUSA-N 0 1 273.380 3.715 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H](C)c1ccccc1F ZINC000678427816 1130416736 /nfs/dbraw/zinc/41/67/36/1130416736.db2.gz PFTSRSAXVOZUQR-QWHCGFSZSA-N 0 1 258.340 3.941 20 0 CHADMN C[C@H]1CCN(Cc2noc3c2CCCC3)CC12CCC2 ZINC000678469361 1130419213 /nfs/dbraw/zinc/41/92/13/1130419213.db2.gz RIDMFGPGTYFGHT-ZDUSSCGKSA-N 0 1 274.408 3.566 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC(C3CCCC3)CC2)o1 ZINC000678463133 1130419754 /nfs/dbraw/zinc/41/97/54/1130419754.db2.gz ROOKGMZHJZXTAZ-CYBMUJFWSA-N 0 1 262.397 3.946 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(CN(CC)CC)o1 ZINC000678486144 1130422805 /nfs/dbraw/zinc/42/28/05/1130422805.db2.gz JZOLIDAQOZXFGF-ZIAGYGMSSA-N 0 1 292.423 3.525 20 0 CHADMN CN1CCN(c2ccc(-c3cccc4[nH]ccc43)cc2)CC1 ZINC001240711952 1130433187 /nfs/dbraw/zinc/43/31/87/1130433187.db2.gz AVXISTZBQHLZBY-UHFFFAOYSA-N 0 1 291.398 3.587 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H]1C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000792178810 1130436535 /nfs/dbraw/zinc/43/65/35/1130436535.db2.gz FWJZAAUYRBPKEG-OUJBWJOFSA-N 0 1 291.782 3.839 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H]2CN(C)Cc3ccccc32)c(C)n1 ZINC000678605972 1130439264 /nfs/dbraw/zinc/43/92/64/1130439264.db2.gz BXLPCDPNAMINBD-BEFAXECRSA-N 0 1 295.430 3.536 20 0 CHADMN C[C@@H](c1ccncc1)N1CC(c2nc3ccccc3s2)C1 ZINC000678629049 1130443061 /nfs/dbraw/zinc/44/30/61/1130443061.db2.gz CTSLZVWMNHCKMY-LBPRGKRZSA-N 0 1 295.411 3.852 20 0 CHADMN Fc1ccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c(F)c1 ZINC000678637448 1130443104 /nfs/dbraw/zinc/44/31/04/1130443104.db2.gz IBLURMYHQNNJGU-UONOGXRCSA-N 0 1 295.373 3.603 20 0 CHADMN Fc1ccc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c(F)c1 ZINC000678637448 1130443107 /nfs/dbraw/zinc/44/31/07/1130443107.db2.gz IBLURMYHQNNJGU-UONOGXRCSA-N 0 1 295.373 3.603 20 0 CHADMN CSc1cc(C)ccc1-c1cccc2[nH]nnc21 ZINC001243386554 1130444140 /nfs/dbraw/zinc/44/41/40/1130444140.db2.gz KMQZBXOLXJYRNW-UHFFFAOYSA-N 0 1 255.346 3.655 20 0 CHADMN Cc1cccc2ccnc(NC[C@@H]3CC(C)(C)O3)c12 ZINC001157664479 1130445892 /nfs/dbraw/zinc/44/58/92/1130445892.db2.gz UGNGSVDFHILPSF-ZDUSSCGKSA-N 0 1 256.349 3.523 20 0 CHADMN COc1ccc(C)cc1CN[C@H](c1cccnc1)C(C)C ZINC000678688375 1130445917 /nfs/dbraw/zinc/44/59/17/1130445917.db2.gz MFNUESCUQGSZHA-SFHVURJKSA-N 0 1 284.403 3.886 20 0 CHADMN CCc1nc(C)c(CN(CC)Cc2cccc(Cl)c2)[nH]1 ZINC001203248828 1130447664 /nfs/dbraw/zinc/44/76/64/1130447664.db2.gz VINXBNGVYDYIOT-UHFFFAOYSA-N 0 1 291.826 3.956 20 0 CHADMN CCC[C@]1(NCc2c(Cl)cccc2OCC)CCOC1 ZINC001170205741 1130458252 /nfs/dbraw/zinc/45/82/52/1130458252.db2.gz OEQHQBNOCWUMBN-INIZCTEOSA-N 0 1 297.826 3.788 20 0 CHADMN CCCN(Cc1cn(C)nc1CC)Cc1ccc(F)cc1 ZINC000678815212 1130460023 /nfs/dbraw/zinc/46/00/23/1130460023.db2.gz ZSBFQHNRKLQNSN-UHFFFAOYSA-N 0 1 289.398 3.534 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2nc3c(s2)CCC3)C1 ZINC000678831536 1130463369 /nfs/dbraw/zinc/46/33/69/1130463369.db2.gz QZXCHOWMYJGJLB-HNNXBMFYSA-N 0 1 264.438 3.644 20 0 CHADMN Cc1cc(-c2ccc3c(c2)CCCO3)cc2nc[nH]c21 ZINC001240774732 1130466250 /nfs/dbraw/zinc/46/62/50/1130466250.db2.gz GGEYZFUPXRGICW-UHFFFAOYSA-N 0 1 264.328 3.863 20 0 CHADMN C[C@@H]([NH2+]Cc1cc(=O)[n-]c(-c2ccccc2)n1)C1CCCC1 ZINC001170263784 1130469210 /nfs/dbraw/zinc/46/92/10/1130469210.db2.gz GAKAULXHCSZAFY-CYBMUJFWSA-N 0 1 297.402 3.518 20 0 CHADMN C[C@H](Cc1ccccc1Cl)N1C[C@@H](C)[C@@H](F)C1 ZINC001170265800 1130471233 /nfs/dbraw/zinc/47/12/33/1130471233.db2.gz JWKJFWZRSTWIIZ-GYSYKLTISA-N 0 1 255.764 3.561 20 0 CHADMN CCOc1ccc(CNCc2cccc(F)c2F)cc1 ZINC000678914323 1130471271 /nfs/dbraw/zinc/47/12/71/1130471271.db2.gz OKSHIBHQCFWSEM-UHFFFAOYSA-N 0 1 277.314 3.653 20 0 CHADMN C[C@H](Cc1ccccc1Cl)NCc1ncc(F)cc1F ZINC001170255828 1130475052 /nfs/dbraw/zinc/47/50/52/1130475052.db2.gz ZTTADISDRYIELC-SNVBAGLBSA-N 0 1 296.748 3.734 20 0 CHADMN C[C@@H]1CCCN(Cc2nc3c(s2)CCCC3)[C@H]1C ZINC000678977153 1130480419 /nfs/dbraw/zinc/48/04/19/1130480419.db2.gz NVQBGRLUFHIXQY-NEPJUHHUSA-N 0 1 264.438 3.642 20 0 CHADMN Cc1cc(-c2ccc(OC(C)C)nc2)cc2nc[nH]c21 ZINC001240806779 1130481675 /nfs/dbraw/zinc/48/16/75/1130481675.db2.gz AXQMEGXUPQHLPX-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN Cc1cc2nccn2cc1NC1CC(C)(C)OC(C)(C)C1 ZINC001170361477 1130485444 /nfs/dbraw/zinc/48/54/44/1130485444.db2.gz NKMNAHWJIUDHAV-UHFFFAOYSA-N 0 1 287.407 3.791 20 0 CHADMN CC1(C)CC(Nc2cc3nc[nH]c3cc2F)CC(C)(C)O1 ZINC001170362645 1130486058 /nfs/dbraw/zinc/48/60/58/1130486058.db2.gz IHBDMVNETHTMKS-UHFFFAOYSA-N 0 1 291.370 3.850 20 0 CHADMN Cc1ncc([C@@H](C)NC2(c3ccccc3)CC2)s1 ZINC000679032485 1130486239 /nfs/dbraw/zinc/48/62/39/1130486239.db2.gz QUEOKFPXGRGYTA-LLVKDONJSA-N 0 1 258.390 3.791 20 0 CHADMN CCO[C@@H]1C[C@H](NCc2c(F)ccc(C)c2F)C12CCC2 ZINC001170385080 1130486954 /nfs/dbraw/zinc/48/69/54/1130486954.db2.gz FSLQZMPBQKHLPI-LSDHHAIUSA-N 0 1 295.373 3.711 20 0 CHADMN C[C@@H](NCc1cocn1)[C@H](C)c1nc2ccccc2s1 ZINC000679050034 1130487347 /nfs/dbraw/zinc/48/73/47/1130487347.db2.gz VQAXKCPCFFHVCU-WDEREUQCSA-N 0 1 287.388 3.566 20 0 CHADMN C[N@H+]1CC[C@@H](c2ccc(-c3ccc(C(=O)[O-])s3)cc2)C1 ZINC001240849959 1130493367 /nfs/dbraw/zinc/49/33/67/1130493367.db2.gz ZNTYNEJZNVAUOL-CYBMUJFWSA-N 0 1 287.384 3.532 20 0 CHADMN Fc1cccc2c1CC[C@@H]2Nc1cnn(-c2ccncc2)c1 ZINC000679128803 1130496979 /nfs/dbraw/zinc/49/69/79/1130496979.db2.gz YTNGRXKORLRCHJ-KRWDZBQOSA-N 0 1 294.333 3.506 20 0 CHADMN CC(C)n1nccc1CN1Cc2ccccc2[C@@H](C)C1 ZINC000792778700 1130499760 /nfs/dbraw/zinc/49/97/60/1130499760.db2.gz ZJBOUXCDIJPXOI-AWEZNQCLSA-N 0 1 269.392 3.583 20 0 CHADMN CSc1cnc(-c2cc(F)cc(F)c2O)c(C)c1 ZINC001243502809 1130513078 /nfs/dbraw/zinc/51/30/78/1130513078.db2.gz BOEBOHFTOYIWNL-UHFFFAOYSA-N 0 1 267.300 3.763 20 0 CHADMN Cc1cc(-c2ccc(N(C)C)cc2)cc2[nH]cnc21 ZINC001240913749 1130513591 /nfs/dbraw/zinc/51/35/91/1130513591.db2.gz OWONGBHURBEDIQ-UHFFFAOYSA-N 0 1 251.333 3.604 20 0 CHADMN C[C@H](c1ccccc1Br)N1CC=CCC1 ZINC000679322822 1130514499 /nfs/dbraw/zinc/51/44/99/1130514499.db2.gz OPSFQFFHFLVGJI-LLVKDONJSA-N 0 1 266.182 3.772 20 0 CHADMN Fc1cccc(F)c1-c1ccc(CN2CC=CCC2)o1 ZINC000679359012 1130520346 /nfs/dbraw/zinc/52/03/46/1130520346.db2.gz LSMKWSZTUGOMDJ-UHFFFAOYSA-N 0 1 275.298 3.987 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN2CC[C@H](C)[C@@H](F)C2)cc1 ZINC000679360635 1130522078 /nfs/dbraw/zinc/52/20/78/1130522078.db2.gz VUYBPLFEWORVMI-BBRMVZONSA-N 0 1 287.382 3.565 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(-c3ccccn3)c2)C[C@@H]1F ZINC000679360617 1130522093 /nfs/dbraw/zinc/52/20/93/1130522093.db2.gz QOAROGSQYXBQCU-PBHICJAKSA-N 0 1 284.378 3.929 20 0 CHADMN Cc1[nH]ncc1[C@H](C)Nc1ccc2c(cnn2C(C)C)c1 ZINC000679363343 1130522763 /nfs/dbraw/zinc/52/27/63/1130522763.db2.gz HZSUVKHDVNTPLO-NSHDSACASA-N 0 1 283.379 3.822 20 0 CHADMN CC(C)[C@H](C)N[C@@H](CCc1ccccc1)C(F)F ZINC000679373859 1130524142 /nfs/dbraw/zinc/52/41/42/1130524142.db2.gz UETATNVPHKCEHD-JSGCOSHPSA-N 0 1 255.352 3.887 20 0 CHADMN CC[C@H](N[C@@H](CCc1ccccc1)C(F)F)[C@H]1CCOC1 ZINC000679386835 1130524687 /nfs/dbraw/zinc/52/46/87/1130524687.db2.gz PBCHJINIZPPHKN-JYJNAYRXSA-N 0 1 297.389 3.658 20 0 CHADMN CCc1nc(C)c([C@H](C)N(C)Cc2ccc(O)cc2)s1 ZINC000679391961 1130526080 /nfs/dbraw/zinc/52/60/80/1130526080.db2.gz CMORRDSXWHZSKH-LBPRGKRZSA-N 0 1 290.432 3.913 20 0 CHADMN Oc1ccc(CNC2(c3ccc(F)cc3F)CCC2)cc1 ZINC000679397879 1130526857 /nfs/dbraw/zinc/52/68/57/1130526857.db2.gz APJSGDQLJJCNOJ-UHFFFAOYSA-N 0 1 289.325 3.839 20 0 CHADMN Oc1ccc(CN[C@@H]2CCCOc3c(F)cccc32)cc1 ZINC000679400265 1130526931 /nfs/dbraw/zinc/52/69/31/1130526931.db2.gz GGKMWCFJALOTOK-MRXNPFEDSA-N 0 1 287.334 3.535 20 0 CHADMN C[C@H](c1ccco1)N(Cc1ccc(O)cc1)C1CC1 ZINC000679395111 1130527090 /nfs/dbraw/zinc/52/70/90/1130527090.db2.gz GQUHJXNEJNXUCB-GFCCVEGCSA-N 0 1 257.333 3.711 20 0 CHADMN COCc1ccc(-c2ccc(CN(C)C)c(F)c2)cc1 ZINC001240954879 1130534260 /nfs/dbraw/zinc/53/42/60/1130534260.db2.gz YRELJASHNVHBRE-UHFFFAOYSA-N 0 1 273.351 3.701 20 0 CHADMN COCc1ccc(-c2ccc(F)c(CN(C)C)c2)cc1 ZINC001240954884 1130534390 /nfs/dbraw/zinc/53/43/90/1130534390.db2.gz YXZXEXMMCWUBNA-UHFFFAOYSA-N 0 1 273.351 3.701 20 0 CHADMN CC(C)(C)c1ccc(CN2CC[C@H](Oc3ccccc3)C2)[nH]1 ZINC001137376683 1130534446 /nfs/dbraw/zinc/53/44/46/1130534446.db2.gz MTYALUMJNCFXDC-KRWDZBQOSA-N 0 1 298.430 3.966 20 0 CHADMN Cc1ccc(CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)o1 ZINC000679583754 1130543651 /nfs/dbraw/zinc/54/36/51/1130543651.db2.gz HKEZGAIVKMYCGR-ONGXEEELSA-N 0 1 261.287 3.751 20 0 CHADMN C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1n[nH]c2ccccc21 ZINC000679584099 1130543721 /nfs/dbraw/zinc/54/37/21/1130543721.db2.gz KSUHVUPRCQTJJT-WDEREUQCSA-N 0 1 297.324 3.726 20 0 CHADMN C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1[nH]nc2ccccc21 ZINC000679584099 1130543738 /nfs/dbraw/zinc/54/37/38/1130543738.db2.gz KSUHVUPRCQTJJT-WDEREUQCSA-N 0 1 297.324 3.726 20 0 CHADMN CCCOc1ccc(CN2CCC(F)(F)CC2)cc1 ZINC000793360194 1130544671 /nfs/dbraw/zinc/54/46/71/1130544671.db2.gz SHEKUIJYNXEMMB-UHFFFAOYSA-N 0 1 269.335 3.707 20 0 CHADMN FC1(F)CCN(Cc2ccc(OCC3CC3)cc2)CC1 ZINC000793361026 1130545331 /nfs/dbraw/zinc/54/53/31/1130545331.db2.gz AHORCMLJECEPND-UHFFFAOYSA-N 0 1 281.346 3.707 20 0 CHADMN CN1CCc2c(F)cc(-c3cc(F)c(F)c(F)c3)cc2C1 ZINC001240981620 1130549667 /nfs/dbraw/zinc/54/96/67/1130549667.db2.gz FHGZNPWWLBQAAX-UHFFFAOYSA-N 0 1 295.279 3.898 20 0 CHADMN Cc1nc2cccc(-c3cccc(N(C)C)c3)c2[nH]1 ZINC001240985604 1130552959 /nfs/dbraw/zinc/55/29/59/1130552959.db2.gz AYTUCWQBAHIFFN-UHFFFAOYSA-N 0 1 251.333 3.604 20 0 CHADMN CN(C)Cc1ccc(-c2cccc(N(C)C)c2)cc1F ZINC001240987576 1130553768 /nfs/dbraw/zinc/55/37/68/1130553768.db2.gz DTEIBBOFIXDQON-UHFFFAOYSA-N 0 1 272.367 3.620 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(C(C)C)cc2)n(C)n1 ZINC000793520209 1130561194 /nfs/dbraw/zinc/56/11/94/1130561194.db2.gz DZBWKQGAIRUGDH-AWEZNQCLSA-N 0 1 271.408 3.703 20 0 CHADMN c1ccc2c(c1)CN(Cc1cccc3cnccc31)CCO2 ZINC000679982911 1130567050 /nfs/dbraw/zinc/56/70/50/1130567050.db2.gz FNAGIKGMVDHKHE-UHFFFAOYSA-N 0 1 290.366 3.629 20 0 CHADMN Cc1cc([C@H](C)NCc2ccccc2OC2CCC2)n(C)n1 ZINC000793543383 1130567700 /nfs/dbraw/zinc/56/77/00/1130567700.db2.gz ZVTAKDKRCIGJNO-AWEZNQCLSA-N 0 1 299.418 3.511 20 0 CHADMN Cc1cc(CN[C@H]2CCc3ccc(O)cc32)cc(Cl)n1 ZINC000827347671 1130567988 /nfs/dbraw/zinc/56/79/88/1130567988.db2.gz SNOQOXQHMGULQF-HNNXBMFYSA-N 0 1 288.778 3.526 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3ccc(O)cc32)cc(Cl)n1 ZINC000827347672 1130568012 /nfs/dbraw/zinc/56/80/12/1130568012.db2.gz SNOQOXQHMGULQF-OAHLLOKOSA-N 0 1 288.778 3.526 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2ccc(F)c(C)c2)n(C)n1 ZINC000793551834 1130568740 /nfs/dbraw/zinc/56/87/40/1130568740.db2.gz WBBDXCXJAJADJD-OLZOCXBDSA-N 0 1 275.371 3.588 20 0 CHADMN COc1c(C)cc(-c2cc(-n3ccnc3)ccn2)cc1C ZINC001241016773 1130569383 /nfs/dbraw/zinc/56/93/83/1130569383.db2.gz HGWYKJDVDMOQGD-UHFFFAOYSA-N 0 1 279.343 3.560 20 0 CHADMN CCCN(CC)Cc1cnn(Cc2ccccc2)c1Cl ZINC000793569179 1130570741 /nfs/dbraw/zinc/57/07/41/1130570741.db2.gz DTUPNVMNICMHEE-UHFFFAOYSA-N 0 1 291.826 3.817 20 0 CHADMN O=C1CCN(Cc2c[nH]c3ccccc23)[C@H]2CCCC[C@@H]12 ZINC001204041776 1130597132 /nfs/dbraw/zinc/59/71/32/1130597132.db2.gz ZCWQYXBBBLOLAM-WBVHZDCISA-N 0 1 282.387 3.502 20 0 CHADMN CCC1CCC(N(C)Cn2cc(C)cnc2=S)CC1 ZINC000758304340 1130605159 /nfs/dbraw/zinc/60/51/59/1130605159.db2.gz FTLPOUQUTYQLMW-UHFFFAOYSA-N 0 1 279.453 3.779 20 0 CHADMN CCCCC[C@H]1CCCN1Cn1cc(C)cnc1=S ZINC000758351169 1130607782 /nfs/dbraw/zinc/60/77/82/1130607782.db2.gz PVBCUXNNHNSMNC-AWEZNQCLSA-N 0 1 279.453 3.923 20 0 CHADMN Cn1nccc1CN[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000758507906 1130615387 /nfs/dbraw/zinc/61/53/87/1130615387.db2.gz NMOBPIURMBDPGC-OAHLLOKOSA-N 0 1 293.361 3.575 20 0 CHADMN CC(C)[C@H]1CCN1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000759068583 1130635155 /nfs/dbraw/zinc/63/51/55/1130635155.db2.gz FQKVASOGXWYSKC-KGLIPLIRSA-N 0 1 288.218 3.757 20 0 CHADMN Cc1cc(C(F)(F)F)nn1CN(CCC(C)C)C1CC1 ZINC000811732227 1130642131 /nfs/dbraw/zinc/64/21/31/1130642131.db2.gz NWCFNIJADSXVIK-UHFFFAOYSA-N 0 1 289.345 3.678 20 0 CHADMN CCC(=CC(=O)NCc1nc2ccc(Cl)cc2[nH]1)CC ZINC000759205413 1130643759 /nfs/dbraw/zinc/64/37/59/1130643759.db2.gz NJQOFWKXUBAZFN-UHFFFAOYSA-N 0 1 291.782 3.579 20 0 CHADMN CC1(C)CN(C[C@H](O)c2ccc(F)cc2Cl)[C@H]1C1CC1 ZINC000811821639 1130650885 /nfs/dbraw/zinc/65/08/85/1130650885.db2.gz LPUZFKDNCNVVFP-GJZGRUSLSA-N 0 1 297.801 3.633 20 0 CHADMN COCCN(CCF)[C@@H](C)c1c(C)cc(C)cc1C ZINC000759331153 1130652034 /nfs/dbraw/zinc/65/20/34/1130652034.db2.gz WQNRCMOWBFFMIS-HNNXBMFYSA-N 0 1 267.388 3.591 20 0 CHADMN Cc1c(F)cncc1-c1cccc(C2=NCCC2)c1 ZINC001244833939 1130654494 /nfs/dbraw/zinc/65/44/94/1130654494.db2.gz IXZQOKZGEVTNLY-UHFFFAOYSA-N 0 1 254.308 3.779 20 0 CHADMN O=C(/C=C\c1ccccc1F)Nc1cccc(Cl)c1O ZINC000759712509 1130671477 /nfs/dbraw/zinc/67/14/77/1130671477.db2.gz YNDOYKUGTXTCOA-HJWRWDBZSA-N 0 1 291.709 3.837 20 0 CHADMN C/C=C(/CC)C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001133190770 1130672136 /nfs/dbraw/zinc/67/21/36/1130672136.db2.gz UETPQXDDGLSLEK-BAQGIRSFSA-N 0 1 263.728 3.511 20 0 CHADMN CC1(C)CCC[C@H]1C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001133191264 1130672719 /nfs/dbraw/zinc/67/27/19/1130672719.db2.gz ZMUJWORVXNWRKS-JTQLQIEISA-N 0 1 291.782 3.981 20 0 CHADMN CCN(c1ccc(NCc2ccc(OC)nc2)cc1)C(C)C ZINC000780507695 1130681759 /nfs/dbraw/zinc/68/17/59/1130681759.db2.gz DRRPXYSVPVMEKH-UHFFFAOYSA-N 0 1 299.418 3.937 20 0 CHADMN CSc1cc(F)c(O[C@H]2CC[N@H+](C(C)C)C2)cc1F ZINC001234926257 1130692640 /nfs/dbraw/zinc/69/26/40/1130692640.db2.gz CPEBJNPOQMJXCL-JTQLQIEISA-N 0 1 287.375 3.548 20 0 CHADMN CCCCC[C@@](C)(CC)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000780926971 1130696349 /nfs/dbraw/zinc/69/63/49/1130696349.db2.gz UPYHZNYFKALFCU-RHSMWYFYSA-N 0 1 291.439 3.900 20 0 CHADMN C[C@@H]1CN(Cc2cc(-c3ccsc3)cs2)CCN1C ZINC001235184489 1130721385 /nfs/dbraw/zinc/72/13/85/1130721385.db2.gz BPQGIOANUBJIFJ-GFCCVEGCSA-N 0 1 292.473 3.613 20 0 CHADMN Cc1cc(F)c(CN(CCCCCO)C(C)C)c(F)c1 ZINC001235196074 1130722792 /nfs/dbraw/zinc/72/27/92/1130722792.db2.gz AEERJTVIJVTFSE-UHFFFAOYSA-N 0 1 285.378 3.646 20 0 CHADMN Cc1ncccc1CN(C)Cc1cc2cccc(F)c2[nH]1 ZINC001235250245 1130726741 /nfs/dbraw/zinc/72/67/41/1130726741.db2.gz CPJXMBIZKKPVNO-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN CCc1cccc(CN2CCc3ccc(C)cc3C2)n1 ZINC001235251818 1130728307 /nfs/dbraw/zinc/72/83/07/1130728307.db2.gz UULBAKUICBURAA-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN CCc1cccc(CN2CC[C@H]2c2ccccc2)n1 ZINC001235260013 1130729970 /nfs/dbraw/zinc/72/99/70/1130729970.db2.gz LYXIKCWVIVSSLX-KRWDZBQOSA-N 0 1 252.361 3.591 20 0 CHADMN Cc1ccc(CCN(C)Cc2cc(C)cnc2F)cc1 ZINC001235340870 1130733389 /nfs/dbraw/zinc/73/33/89/1130733389.db2.gz WGPGIKWFEJQHSU-UHFFFAOYSA-N 0 1 272.367 3.512 20 0 CHADMN CC1(C)CCC[C@H]1[C@H]1CCN(Cc2cnc(Cl)cn2)C1 ZINC000830178187 1130734095 /nfs/dbraw/zinc/73/40/95/1130734095.db2.gz WBHYYJSQQMVXFM-JSGCOSHPSA-N 0 1 293.842 3.778 20 0 CHADMN CCOc1cc(O)cc(CN(C)Cc2cccc(C)c2)c1 ZINC001235384232 1130737276 /nfs/dbraw/zinc/73/72/76/1130737276.db2.gz BRZHCBJVHAXDAC-UHFFFAOYSA-N 0 1 285.387 3.731 20 0 CHADMN C[C@@H](CC[N@@H+](CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000692415466 1130738241 /nfs/dbraw/zinc/73/82/41/1130738241.db2.gz OGOBUKYZRAYMGK-INIZCTEOSA-N 0 1 297.398 3.767 20 0 CHADMN Cc1cc(OC(C)C)ncc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001235421035 1130741809 /nfs/dbraw/zinc/74/18/09/1130741809.db2.gz KGEFCOADBUPQAI-HOTGVXAUSA-N 0 1 288.435 3.799 20 0 CHADMN COc1cc(C[N@H+]2CCC[C@H](C)CC2)cc(F)c1F ZINC001235435468 1130742960 /nfs/dbraw/zinc/74/29/60/1130742960.db2.gz XOMGTDLBEWKEHL-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN COc1cc(CN2CCC[C@H](C)CC2)cc(F)c1F ZINC001235435468 1130742964 /nfs/dbraw/zinc/74/29/64/1130742964.db2.gz XOMGTDLBEWKEHL-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(F)c(F)c(OC)c2)C1 ZINC001235451026 1130745659 /nfs/dbraw/zinc/74/56/59/1130745659.db2.gz MZWORDUYAARJII-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN COc1cncc(CN(C)Cc2cccc(Cl)c2)c1C ZINC001235464375 1130747772 /nfs/dbraw/zinc/74/77/72/1130747772.db2.gz HRAXLXIEEOJALV-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN C[C@@H]1CN(Cc2c[nH]c3cnc(Cl)cc23)CCC1(F)F ZINC001235506737 1130748592 /nfs/dbraw/zinc/74/85/92/1130748592.db2.gz KSFCTDUFFIQTRJ-SECBINFHSA-N 0 1 299.752 3.693 20 0 CHADMN CCCN(Cc1cncc(F)c1Cl)CC(C)C ZINC001235503458 1130749252 /nfs/dbraw/zinc/74/92/52/1130749252.db2.gz ZWKYCYDOGXZSFN-UHFFFAOYSA-N 0 1 258.768 3.742 20 0 CHADMN C[C@H]1CCCN(Cc2cncc(F)c2Cl)C[C@H]1C ZINC001235488698 1130749590 /nfs/dbraw/zinc/74/95/90/1130749590.db2.gz OFEJBXBSCHEQTE-WDEREUQCSA-N 0 1 270.779 3.742 20 0 CHADMN CN(Cc1cncc(F)c1Cl)C1CCCCC1 ZINC001235492705 1130749818 /nfs/dbraw/zinc/74/98/18/1130749818.db2.gz OCCUDOHPZOWKME-UHFFFAOYSA-N 0 1 256.752 3.639 20 0 CHADMN COc1ncc(CN2CC[C@]3(CC[C@H](C)C3)C2)cc1Cl ZINC000782108506 1130755395 /nfs/dbraw/zinc/75/53/95/1130755395.db2.gz RIYOVQDTIHNJNN-LRDDRELGSA-N 0 1 294.826 3.756 20 0 CHADMN Cc1ccnc(CN2[C@H](C)CCC[C@@H]2C)c1Cl ZINC001235575579 1130755738 /nfs/dbraw/zinc/75/57/38/1130755738.db2.gz QKIIXFLJLCPOOR-TXEJJXNPSA-N 0 1 252.789 3.806 20 0 CHADMN CC[C@H](C)CN(C)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000782153714 1130756426 /nfs/dbraw/zinc/75/64/26/1130756426.db2.gz QADLNOAKTUQWMO-QMMMGPOBSA-N 0 1 297.752 3.570 20 0 CHADMN CCn1cc(CN(C)[C@H]2CCc3cc(Cl)ccc32)cn1 ZINC000782181395 1130758108 /nfs/dbraw/zinc/75/81/08/1130758108.db2.gz GPHIVKBASJHFTA-INIZCTEOSA-N 0 1 289.810 3.676 20 0 CHADMN CCC(CC)N(C)Cc1c(C)cncc1Br ZINC001235641943 1130759730 /nfs/dbraw/zinc/75/97/30/1130759730.db2.gz JFRATCCRGAGUNJ-UHFFFAOYSA-N 0 1 285.229 3.773 20 0 CHADMN C[C@@H](NC1(c2ccccc2)CCC1)c1cn2c(n1)CCCC2 ZINC000813327508 1130762816 /nfs/dbraw/zinc/76/28/16/1130762816.db2.gz FGKJWRGBSNGEGS-OAHLLOKOSA-N 0 1 295.430 3.949 20 0 CHADMN Fc1ccc2[nH]c(CN3CC[C@@H](c4ccccc4)C3)nc2c1 ZINC001235683731 1130767879 /nfs/dbraw/zinc/76/78/79/1130767879.db2.gz PDHOHGWPFSWDHP-CQSZACIVSA-N 0 1 295.361 3.692 20 0 CHADMN CCOc1cc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)ccc1F ZINC001235797290 1130779431 /nfs/dbraw/zinc/77/94/31/1130779431.db2.gz FCVFHUNRBGCCPL-BETUJISGSA-N 0 1 299.336 3.702 20 0 CHADMN COc1cccc(CN(Cc2cnoc2C)CC(C)C)c1 ZINC000782483931 1130780402 /nfs/dbraw/zinc/78/04/02/1130780402.db2.gz WIXIBGOPVRQBBY-UHFFFAOYSA-N 0 1 288.391 3.650 20 0 CHADMN Cc1cc(CN2CCCCC23CC3)cnc1Br ZINC001235825680 1130783153 /nfs/dbraw/zinc/78/31/53/1130783153.db2.gz LJKRNILMOHSPEQ-UHFFFAOYSA-N 0 1 295.224 3.671 20 0 CHADMN O[C@@H](c1ccccc1)[C@H](NCc1ccoc1)c1ccccc1 ZINC000813783328 1130783158 /nfs/dbraw/zinc/78/31/58/1130783158.db2.gz PLYHQXAQTZYVPZ-MOPGFXCFSA-N 0 1 293.366 3.844 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2C(C)C)cnc1Br ZINC001235826573 1130783409 /nfs/dbraw/zinc/78/34/09/1130783409.db2.gz URUFKTGVAMYECT-CYBMUJFWSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1cc(CN2CCC[C@H]2C(C)C)cnc1Br ZINC001235826574 1130784086 /nfs/dbraw/zinc/78/40/86/1130784086.db2.gz URUFKTGVAMYECT-ZDUSSCGKSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1nc2cc(CN(C)C3CC(F)(F)C3)ccc2s1 ZINC001235849276 1130787303 /nfs/dbraw/zinc/78/73/03/1130787303.db2.gz CRRNXXWJRPPJQX-UHFFFAOYSA-N 0 1 282.359 3.834 20 0 CHADMN C[C@H](CN[C@H](c1ncc[nH]1)c1ccc(F)cc1)C(C)(C)C ZINC000783245963 1130806959 /nfs/dbraw/zinc/80/69/59/1130806959.db2.gz QOVNLXFSOUKVNB-DOMZBBRYSA-N 0 1 289.398 3.910 20 0 CHADMN CC(C)(C)Oc1ccc(-c2cc3[nH]nnc3cc2F)cc1 ZINC001235927869 1130807321 /nfs/dbraw/zinc/80/73/21/1130807321.db2.gz PSUGNHXCYIZTKZ-UHFFFAOYSA-N 0 1 285.322 3.941 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1nccnc1C)CCC2 ZINC000783253052 1130808029 /nfs/dbraw/zinc/80/80/29/1130808029.db2.gz FUKIJUCFNSBZQJ-GUYCJALGSA-N 0 1 297.402 3.522 20 0 CHADMN COc1ccc([C@@H](NC[C@@H]2CCC=CO2)c2ccco2)cc1 ZINC000783309341 1130815075 /nfs/dbraw/zinc/81/50/75/1130815075.db2.gz HXSAWGYWHMSNCJ-FUHWJXTLSA-N 0 1 299.370 3.660 20 0 CHADMN CCN(Cc1ccc(NC)cc1)Cc1ccccc1F ZINC001235961089 1130819287 /nfs/dbraw/zinc/81/92/87/1130819287.db2.gz YJYRPYSCCHPGRV-UHFFFAOYSA-N 0 1 272.367 3.890 20 0 CHADMN Cc1ccc2nc(-c3c(F)cc(F)c(O)c3F)ccc2n1 ZINC001235983809 1130823451 /nfs/dbraw/zinc/82/34/51/1130823451.db2.gz HFSUAVPOGBKVEG-UHFFFAOYSA-N 0 1 290.244 3.728 20 0 CHADMN C=Cc1ccc(-c2c(F)cc(F)c(O)c2F)nc1 ZINC001235989573 1130825061 /nfs/dbraw/zinc/82/50/61/1130825061.db2.gz HPCBXMYTRVDRMH-UHFFFAOYSA-N 0 1 251.207 3.515 20 0 CHADMN COc1cc(-c2c(F)cc(F)c(O)c2F)c(OC)cc1C ZINC001235993987 1130825420 /nfs/dbraw/zinc/82/54/20/1130825420.db2.gz IDUZFQJTMQPHOM-UHFFFAOYSA-N 0 1 298.260 3.802 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc3c(c2)NCCC3)c1F ZINC001235996107 1130825893 /nfs/dbraw/zinc/82/58/93/1130825893.db2.gz JMKUEKRXZXVBLG-UHFFFAOYSA-N 0 1 279.261 3.835 20 0 CHADMN COc1c(F)cc(-c2c(F)cc(F)c(O)c2F)cc1F ZINC001235998931 1130827105 /nfs/dbraw/zinc/82/71/05/1130827105.db2.gz SYHZJXJRJHYRBG-UHFFFAOYSA-N 0 1 290.187 3.763 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccnc(OCC3CC3)c2)c1F ZINC001235999241 1130827538 /nfs/dbraw/zinc/82/75/38/1130827538.db2.gz AZLQOKFDKDCPMD-UHFFFAOYSA-N 0 1 295.260 3.660 20 0 CHADMN Nc1cnc2cc(-c3c(F)cc(F)c(O)c3F)ccc2c1 ZINC001236002211 1130828714 /nfs/dbraw/zinc/82/87/14/1130828714.db2.gz KSAGBEGYSFWWIG-UHFFFAOYSA-N 0 1 290.244 3.607 20 0 CHADMN Cc1ccc(-c2c(F)cc(F)c(O)c2F)c2nsnc21 ZINC001236002093 1130828826 /nfs/dbraw/zinc/82/88/26/1130828826.db2.gz JVTFRRNNPNURNS-UHFFFAOYSA-N 0 1 296.273 3.790 20 0 CHADMN Cc1noc2cc(-c3c(F)cc(F)c(O)c3F)ccc12 ZINC001236002243 1130830079 /nfs/dbraw/zinc/83/00/79/1130830079.db2.gz LOHCKBXMGRUJIP-UHFFFAOYSA-N 0 1 279.217 3.926 20 0 CHADMN Cc1cnc(CC[N@H+]2Cc3ccccc3O[C@H](C)C2)c(C)c1 ZINC001170731476 1130836197 /nfs/dbraw/zinc/83/61/97/1130836197.db2.gz FBJLDYURQQROEP-MRXNPFEDSA-N 0 1 296.414 3.524 20 0 CHADMN CN(Cc1c(Cl)cnn1C)C1CCCCCCC1 ZINC000783554610 1130838014 /nfs/dbraw/zinc/83/80/14/1130838014.db2.gz CGAVHNHJEZBGLL-UHFFFAOYSA-N 0 1 269.820 3.618 20 0 CHADMN CC(C)[C@@H]1N(Cc2cccnc2Cl)CC12CCC2 ZINC000814170688 1130839822 /nfs/dbraw/zinc/83/98/22/1130839822.db2.gz CCXVPEYJQMYXNE-ZDUSSCGKSA-N 0 1 264.800 3.746 20 0 CHADMN Cc1cc(OC(C)C)cc(C)c1-c1nc2nc[nH]c2c(C)n1 ZINC001236072444 1130848275 /nfs/dbraw/zinc/84/82/75/1130848275.db2.gz XBZZHFITYQDRBQ-UHFFFAOYSA-N 0 1 296.374 3.684 20 0 CHADMN COCOc1ccc(F)cc1-c1cccc2nc(C)[nH]c21 ZINC001236074593 1130848936 /nfs/dbraw/zinc/84/89/36/1130848936.db2.gz CSOQQQTWQPXFGK-UHFFFAOYSA-N 0 1 286.306 3.660 20 0 CHADMN CC(C)Cc1ccc(CNCc2cccc(F)n2)cc1 ZINC000747925716 1130851844 /nfs/dbraw/zinc/85/18/44/1130851844.db2.gz HDHCTVSCNGFDJW-UHFFFAOYSA-N 0 1 272.367 3.709 20 0 CHADMN CC(C)Oc1ccccc1CN1CCc2cc(N)ccc2C1 ZINC001236104874 1130864412 /nfs/dbraw/zinc/86/44/12/1130864412.db2.gz GIQMZNBXZUWPPR-UHFFFAOYSA-N 0 1 296.414 3.614 20 0 CHADMN Cc1c(Cl)c(-c2[nH+]ccc3[nH]ccc32)ccc1C(=O)[O-] ZINC001236109611 1130865821 /nfs/dbraw/zinc/86/58/21/1130865821.db2.gz WBMYUIFYSQVANR-UHFFFAOYSA-N 0 1 286.718 3.890 20 0 CHADMN Nc1ccc2c(c1)CCN(Cc1ccc(F)c(C3CC3)c1)C2 ZINC001236110089 1130867126 /nfs/dbraw/zinc/86/71/26/1130867126.db2.gz YGBGJLXIHIYGBQ-UHFFFAOYSA-N 0 1 296.389 3.844 20 0 CHADMN CC(C)c1cn(CN(C)C[C@@H]2CC=CCC2)c(=S)n1C ZINC000784013078 1130868373 /nfs/dbraw/zinc/86/83/73/1130868373.db2.gz HZVUCUQVSDACLE-CQSZACIVSA-N 0 1 293.480 3.925 20 0 CHADMN Cc1nc(-c2cccnc2N2CCCC2)cc2[nH]ccc21 ZINC001236124122 1130870561 /nfs/dbraw/zinc/87/05/61/1130870561.db2.gz KCDNRLVAPUFBRF-UHFFFAOYSA-N 0 1 278.359 3.534 20 0 CHADMN Clc1cnc(CN2CCC[C@@H](c3ccccc3)C2)cn1 ZINC000814641273 1130892662 /nfs/dbraw/zinc/89/26/62/1130892662.db2.gz DMYOIARENSOGCW-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN COc1cc(C)cc(F)c1-c1cc2nc[nH]c2cc1F ZINC001236229722 1130898693 /nfs/dbraw/zinc/89/86/93/1130898693.db2.gz ILFSOQYBRKJHEO-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN Nc1ccc2c(c1)CN(Cc1coc3ccc(F)cc13)CC2 ZINC001236231533 1130899121 /nfs/dbraw/zinc/89/91/21/1130899121.db2.gz JDBSNWQXLUOXAQ-UHFFFAOYSA-N 0 1 296.345 3.712 20 0 CHADMN CC(C)(C)CCOCSc1nc(-c2ccccc2)n[nH]1 ZINC000814726355 1130902094 /nfs/dbraw/zinc/90/20/94/1130902094.db2.gz RRLQVROMPPLBEO-UHFFFAOYSA-N 0 1 291.420 3.974 20 0 CHADMN CN(Cc1cccnc1Cl)C[C@H]1CC=CCC1 ZINC000784385356 1130902882 /nfs/dbraw/zinc/90/28/82/1130902882.db2.gz KWVCRIFCNYIUQE-LBPRGKRZSA-N 0 1 250.773 3.523 20 0 CHADMN CC(C)[C@@H](F)C(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000784504511 1130907566 /nfs/dbraw/zinc/90/75/66/1130907566.db2.gz IVWLUZCBLULSJY-QPUJVOFHSA-N 0 1 298.745 3.815 20 0 CHADMN CCCc1ccc(NC(=O)c2cn[nH]c2C(C)(C)C)cc1 ZINC000814772840 1130910002 /nfs/dbraw/zinc/91/00/02/1130910002.db2.gz GJZRZBCCFBNDJQ-UHFFFAOYSA-N 0 1 285.391 3.912 20 0 CHADMN Cc1csc2c1ncnc2-c1c(F)ccc(C)c1O ZINC001236390227 1130925560 /nfs/dbraw/zinc/92/55/60/1130925560.db2.gz DLDICENMAWZWNE-UHFFFAOYSA-N 0 1 274.320 3.820 20 0 CHADMN Cc1cc2cccnc2c(-c2c(F)ccc(C)c2O)n1 ZINC001236391780 1130926584 /nfs/dbraw/zinc/92/65/84/1130926584.db2.gz PNUMKQOUCDIXOJ-UHFFFAOYSA-N 0 1 268.291 3.758 20 0 CHADMN COc1nc(C(C)C)ccc1-c1ccc2cncn2c1 ZINC001236444695 1130943439 /nfs/dbraw/zinc/94/34/39/1130943439.db2.gz PHEQDQWLOMZXIM-UHFFFAOYSA-N 0 1 267.332 3.528 20 0 CHADMN Cc1ccccc1[C@H](NCc1cnn(C)c1Cl)C(C)C ZINC000815123926 1130959376 /nfs/dbraw/zinc/95/93/76/1130959376.db2.gz KDPIHJCKYZEMEX-OAHLLOKOSA-N 0 1 291.826 3.869 20 0 CHADMN C[C@@H](COC(=O)[C@H]1CCCc2[nH]ncc21)C1CCCCC1 ZINC000815219652 1130970840 /nfs/dbraw/zinc/97/08/40/1130970840.db2.gz NXODYGNUXZKUJL-JSGCOSHPSA-N 0 1 290.407 3.589 20 0 CHADMN Cc1cc(C)c(Cl)c(-c2cccc3[nH]nnc32)c1 ZINC001236552225 1130974337 /nfs/dbraw/zinc/97/43/37/1130974337.db2.gz MDWRMNFMNFJTFE-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN Cc1cc(-c2ccnc(OC(C)C)c2)cc2nc[nH]c21 ZINC001236558972 1130975041 /nfs/dbraw/zinc/97/50/41/1130975041.db2.gz KXYBUSZNFVVCOU-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN Cc1c(Br)cccc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001236605004 1130983983 /nfs/dbraw/zinc/98/39/83/1130983983.db2.gz IWDWOIZXHUNCQA-OBJOEFQTSA-N 0 1 298.199 3.690 20 0 CHADMN Cc1cc(Cl)cc(CN2C3CCCC2CCC3)n1 ZINC001236646526 1130988803 /nfs/dbraw/zinc/98/88/03/1130988803.db2.gz IMXWBKKNLPSXJV-UHFFFAOYSA-N 0 1 264.800 3.950 20 0 CHADMN COc1cc2ccccc2cc1CN1C[C@@H](F)C[C@H]1C ZINC001236676621 1130990434 /nfs/dbraw/zinc/99/04/34/1130990434.db2.gz CADYYYCJLDOVPJ-WBMJQRKESA-N 0 1 273.351 3.781 20 0 CHADMN CC[C@@H]1CCCN1Cc1c(Br)cccc1OC ZINC001236674717 1130991000 /nfs/dbraw/zinc/99/10/00/1130991000.db2.gz ZQSKQWVUOUZXRI-LLVKDONJSA-N 0 1 298.224 3.832 20 0 CHADMN CC1=C[C@H](C)CN(C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000797526261 1130991321 /nfs/dbraw/zinc/99/13/21/1130991321.db2.gz KJXYCFUQMOQEJI-NHYWBVRUSA-N 0 1 299.336 3.637 20 0 CHADMN CC[C@H]1CCCN1Cc1ccc(Br)c(O)c1 ZINC001236687462 1130994379 /nfs/dbraw/zinc/99/43/79/1130994379.db2.gz MVDLAUAOSPMWKH-NSHDSACASA-N 0 1 284.197 3.529 20 0 CHADMN c1cc2c(cccc2CN2CCc3ccncc3C2)s1 ZINC001236690075 1130994961 /nfs/dbraw/zinc/99/49/61/1130994961.db2.gz ONTQBKNIUSLJNG-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN FC(F)C1CN(Cc2cccc3sccc32)C1 ZINC001236692433 1130995192 /nfs/dbraw/zinc/99/51/92/1130995192.db2.gz PLEMEHFLDLIOIS-UHFFFAOYSA-N 0 1 253.317 3.598 20 0 CHADMN Oc1cc(CN2CC[C@H](c3ccccc3F)C2)ccc1F ZINC001236704976 1130996588 /nfs/dbraw/zinc/99/65/88/1130996588.db2.gz HTSDMVGAQTXREG-ZDUSSCGKSA-N 0 1 289.325 3.660 20 0 CHADMN Cc1c(F)ccc(CN2CC(C)(C)C[C@]2(C)CO)c1Cl ZINC001236708461 1130998061 /nfs/dbraw/zinc/99/80/61/1130998061.db2.gz PWXWZXKCOGULOU-MRXNPFEDSA-N 0 1 299.817 3.770 20 0 CHADMN [O-]c1cc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)ccc1F ZINC001236710168 1130998115 /nfs/dbraw/zinc/99/81/15/1130998115.db2.gz JHQNKVQGLBIXNV-ZDUSSCGKSA-N 0 1 281.346 3.636 20 0 CHADMN FC1(F)CSC2(CN(Cc3cccc4ccoc43)C2)C1 ZINC001236736679 1131002381 /nfs/dbraw/zinc/00/23/81/1131002381.db2.gz XWFACOVOQGOIMJ-UHFFFAOYSA-N 0 1 295.354 3.759 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2[C@H](C)CCC[C@H]2C)c1 ZINC001236761740 1131004297 /nfs/dbraw/zinc/00/42/97/1131004297.db2.gz AOVQKDQXYMHVTO-VXGBXAGGSA-N 0 1 295.810 3.890 20 0 CHADMN CCc1nc(C)c(CN[C@@H](C)c2ccc(F)cc2C)o1 ZINC000815628828 1131012000 /nfs/dbraw/zinc/01/20/00/1131012000.db2.gz LJHLPXJSZAUUGI-NSHDSACASA-N 0 1 276.355 3.844 20 0 CHADMN CN(Cc1cncs1)Cc1ccc(F)c2ccoc21 ZINC001236900900 1131029649 /nfs/dbraw/zinc/02/96/49/1131029649.db2.gz FMZUDLRYCLKIDM-UHFFFAOYSA-N 0 1 276.336 3.660 20 0 CHADMN COC[C@H]1CCN1Cc1ccc(-c2cccc(C)c2C)nc1 ZINC001236984760 1131033288 /nfs/dbraw/zinc/03/32/88/1131033288.db2.gz HGVNUENVVIZGKP-QGZVFWFLSA-N 0 1 296.414 3.586 20 0 CHADMN COc1cccc([C@H](C)Nc2ccnc(C)c2Cl)c1 ZINC000798388302 1131035734 /nfs/dbraw/zinc/03/57/34/1131035734.db2.gz NRSMBAPDQMXEAX-JTQLQIEISA-N 0 1 276.767 3.647 20 0 CHADMN CCCCCc1ccc(NC(=O)CN(C)C2CCC2)cc1 ZINC001135327550 1131044611 /nfs/dbraw/zinc/04/46/11/1131044611.db2.gz JDMJXJBEEYNQPT-UHFFFAOYSA-N 0 1 288.435 3.842 20 0 CHADMN CC(C)[C@H](C(=O)O[C@H](C)c1ccccc1Cl)N(C)C ZINC000798844441 1131051707 /nfs/dbraw/zinc/05/17/07/1131051707.db2.gz YRWINTLZXMPETF-BXUZGUMPSA-N 0 1 283.799 3.530 20 0 CHADMN COc1cccc2c(CN3CCCC[C@@H](F)C3)ccnc12 ZINC001237113361 1131052653 /nfs/dbraw/zinc/05/26/53/1131052653.db2.gz KKJZOQWIAHJDDL-CQSZACIVSA-N 0 1 288.366 3.567 20 0 CHADMN Cc1cc(Cl)ccc1COC(=O)C(C)(C)N1CCCC1 ZINC000805610902 1131063988 /nfs/dbraw/zinc/06/39/88/1131063988.db2.gz LBSXWIKULUHBIA-UHFFFAOYSA-N 0 1 295.810 3.566 20 0 CHADMN Fc1cc(Cl)cc(CN2CC[C@H](c3ccccn3)C2)c1 ZINC000798962817 1131066875 /nfs/dbraw/zinc/06/68/75/1131066875.db2.gz QLUCSDSXHMEJQJ-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN c1cc(CN2CCC[C@H]2c2ncccn2)c2cccccc1-2 ZINC001237186312 1131066838 /nfs/dbraw/zinc/06/68/38/1131066838.db2.gz WKLBZOYUXQXZBT-SFHVURJKSA-N 0 1 289.382 3.919 20 0 CHADMN COC(=O)CN(Cc1ccc2cccccc1-2)C1CCCC1 ZINC001237193565 1131068202 /nfs/dbraw/zinc/06/82/02/1131068202.db2.gz QRKHXFDXDYINAU-UHFFFAOYSA-N 0 1 297.398 3.709 20 0 CHADMN C[C@@H]1CCN(Cc2cnc(Cl)cn2)[C@H]2CCCC[C@H]12 ZINC000799111934 1131070703 /nfs/dbraw/zinc/07/07/03/1131070703.db2.gz NIVPYSQFJOOHPY-BNOWGMLFSA-N 0 1 279.815 3.531 20 0 CHADMN CN(Cc1ncnn1-c1ccccc1)C1CCCCCCC1 ZINC000799119328 1131071272 /nfs/dbraw/zinc/07/12/72/1131071272.db2.gz KMUYBLMVCSWNPN-UHFFFAOYSA-N 0 1 298.434 3.812 20 0 CHADMN CCCCN(CCC)Cc1nc(C(=O)OCC)c(C)s1 ZINC001237230897 1131071885 /nfs/dbraw/zinc/07/18/85/1131071885.db2.gz LHCOBILNKMPQPW-UHFFFAOYSA-N 0 1 298.452 3.640 20 0 CHADMN Cc1cc(CN2CCNC3=CCCC[C@H]32)c(F)cc1Cl ZINC001237230379 1131073065 /nfs/dbraw/zinc/07/30/65/1131073065.db2.gz SCZCRWPPJFAZRE-MRXNPFEDSA-N 0 1 294.801 3.629 20 0 CHADMN Cc1cc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC001135504251 1131073241 /nfs/dbraw/zinc/07/32/41/1131073241.db2.gz GQIFVCYIJKKLSO-UHFFFAOYSA-N 0 1 298.173 3.596 20 0 CHADMN COc1cc(CN2CCCC[C@H](F)C2)ccc1C(F)F ZINC001237271758 1131073858 /nfs/dbraw/zinc/07/38/58/1131073858.db2.gz CHARVLRWFKLUAF-LBPRGKRZSA-N 0 1 287.325 3.957 20 0 CHADMN c1ccc([C@H]2CCN(Cc3nc4ccccc4s3)C2)nc1 ZINC000799194118 1131075823 /nfs/dbraw/zinc/07/58/23/1131075823.db2.gz SJIKWBLGIIVKAU-ZDUSSCGKSA-N 0 1 295.411 3.681 20 0 CHADMN COc1cc(CN(C)C2CC(F)(F)C2)ccc1C(F)F ZINC001237278410 1131076984 /nfs/dbraw/zinc/07/69/84/1131076984.db2.gz YQGQZNPCAPBTTF-UHFFFAOYSA-N 0 1 291.288 3.862 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H]3OCCC[C@@H]3C2)c1Cl ZINC001138022826 1131081790 /nfs/dbraw/zinc/08/17/90/1131081790.db2.gz NSARYUBGSCNTJV-IUODEOHRSA-N 0 1 297.801 3.788 20 0 CHADMN Cc1cc(Br)c(CN(C)C(C)(C)C)cc1O ZINC001237302467 1131081881 /nfs/dbraw/zinc/08/18/81/1131081881.db2.gz PBWAQEHJLNLLSN-UHFFFAOYSA-N 0 1 286.213 3.693 20 0 CHADMN Cc1ccc(Cl)c(CN2CCN(C3CC3)CC2)c1Cl ZINC001237329193 1131084833 /nfs/dbraw/zinc/08/48/33/1131084833.db2.gz ZWDKVRXOAQGQRJ-UHFFFAOYSA-N 0 1 299.245 3.582 20 0 CHADMN c1nc(-c2ccccc2)oc1CN1CC(c2ccccc2)C1 ZINC001237367409 1131091945 /nfs/dbraw/zinc/09/19/45/1131091945.db2.gz GXYGJABEBNTPGZ-UHFFFAOYSA-N 0 1 290.366 3.941 20 0 CHADMN COc1ccc2c(c1)[nH]nc2CN(C)Cc1cccc(C)c1 ZINC001237385972 1131094291 /nfs/dbraw/zinc/09/42/91/1131094291.db2.gz PMPGKVIZXOOUNR-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN C[C@H]1CCCCCN1Cc1cnccc1Br ZINC001237383331 1131094441 /nfs/dbraw/zinc/09/44/41/1131094441.db2.gz UORVRDRCCCKFLW-NSHDSACASA-N 0 1 283.213 3.609 20 0 CHADMN CC(C)c1cccc(CN2CCN(c3ccccn3)CC2)c1 ZINC001237456382 1131099640 /nfs/dbraw/zinc/09/96/40/1131099640.db2.gz IILJGAXWUKNSLQ-UHFFFAOYSA-N 0 1 295.430 3.527 20 0 CHADMN CN(Cc1c(Cl)cccc1Cl)[C@H]1CCCOCC1 ZINC001170826648 1131100407 /nfs/dbraw/zinc/10/04/07/1131100407.db2.gz HJVUEEPXBFYTPV-NSHDSACASA-N 0 1 288.218 3.994 20 0 CHADMN COc1ccc2nc(-c3c(O)cccc3F)ccc2c1 ZINC001245652268 1131103835 /nfs/dbraw/zinc/10/38/35/1131103835.db2.gz XIZIJHLOXNVAGB-UHFFFAOYSA-N 0 1 269.275 3.755 20 0 CHADMN Oc1cccc(F)c1-c1nc(C(F)(F)F)ccc1F ZINC001245652293 1131104227 /nfs/dbraw/zinc/10/42/27/1131104227.db2.gz YIUOJADDRCNUPP-UHFFFAOYSA-N 0 1 275.176 3.751 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1cccc(C)c1OC)C2 ZINC001237501963 1131105741 /nfs/dbraw/zinc/10/57/41/1131105741.db2.gz XCBZMUYRWWNGDP-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN C[C@@H](C[NH2+]Cc1c(F)ccc([O-])c1F)c1cccc(F)c1 ZINC000816543572 1131106643 /nfs/dbraw/zinc/10/66/43/1131106643.db2.gz GNMYFEDKFDHQDH-JTQLQIEISA-N 0 1 295.304 3.703 20 0 CHADMN Oc1cccc(F)c1-c1cccc(-c2cccnc2)n1 ZINC001245655149 1131108468 /nfs/dbraw/zinc/10/84/68/1131108468.db2.gz AHXTVYREKSYHFK-UHFFFAOYSA-N 0 1 266.275 3.655 20 0 CHADMN Cc1ncc(CN(C)Cc2cccc3c(F)cccc23)cn1 ZINC001237516992 1131109600 /nfs/dbraw/zinc/10/96/00/1131109600.db2.gz DXHYBZQPPOPSTO-UHFFFAOYSA-N 0 1 295.361 3.709 20 0 CHADMN Cc1c(CN2C[C@@H]3C[C@H]2CO3)cccc1-c1ccccc1 ZINC001237582848 1131115567 /nfs/dbraw/zinc/11/55/67/1131115567.db2.gz HFKMNCRDWDPIFL-ROUUACIJSA-N 0 1 279.383 3.635 20 0 CHADMN Cc1c(CN2CCOC[C@H]2C)cccc1-c1ccccc1 ZINC001237581557 1131116286 /nfs/dbraw/zinc/11/62/86/1131116286.db2.gz PPCWPDFUYSCKPC-OAHLLOKOSA-N 0 1 281.399 3.883 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1c(Cl)cccc1N1CCCC1 ZINC000816646436 1131117345 /nfs/dbraw/zinc/11/73/45/1131117345.db2.gz DEMNQUUAGOPDNP-QWHCGFSZSA-N 0 1 278.827 3.780 20 0 CHADMN c1oc(C2CC2)nc1CN1CCC[C@H](c2ccccc2)C1 ZINC000816619660 1131117631 /nfs/dbraw/zinc/11/76/31/1131117631.db2.gz PLXRFSSNMJPNQS-INIZCTEOSA-N 0 1 282.387 3.932 20 0 CHADMN Cc1nn(-c2ccc(Cl)cc2)cc1CN1C[C@H](C)[C@H]1C ZINC000816646580 1131118172 /nfs/dbraw/zinc/11/81/72/1131118172.db2.gz GECCUTNELWDZRD-WCQYABFASA-N 0 1 289.810 3.674 20 0 CHADMN CCCCOc1cc(CN2C[C@@H](C)[C@H]2C)ccc1OC ZINC000816646861 1131118398 /nfs/dbraw/zinc/11/83/98/1131118398.db2.gz JTFQSBMQGUXKIB-ZIAGYGMSSA-N 0 1 277.408 3.714 20 0 CHADMN C[C@@H](c1ccccc1)N(Cc1nnc[nH]1)Cc1ccccc1 ZINC001237600572 1131118417 /nfs/dbraw/zinc/11/84/17/1131118417.db2.gz RYEHMOYEIUHNIQ-HNNXBMFYSA-N 0 1 292.386 3.568 20 0 CHADMN CC[C@H](C)Oc1cc(CN2C[C@H](C)[C@@H]2C)ccc1OC ZINC000816647314 1131119159 /nfs/dbraw/zinc/11/91/59/1131119159.db2.gz QPQHUTZFEQGXMA-IHRRRGAJSA-N 0 1 277.408 3.713 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1ccc(Oc2ccccc2)o1 ZINC000816647765 1131120487 /nfs/dbraw/zinc/12/04/87/1131120487.db2.gz XZQBLRUHDMFORI-QWHCGFSZSA-N 0 1 257.333 3.912 20 0 CHADMN CCOc1ccc(CN2CCC(C(F)F)CC2)c(F)c1 ZINC001237636157 1131122465 /nfs/dbraw/zinc/12/24/65/1131122465.db2.gz ZVBLQWWKCIWTMV-UHFFFAOYSA-N 0 1 287.325 3.702 20 0 CHADMN Oc1ccc(-c2ccc(CN3C[C@@H]4C[C@@H]4[C@@H](F)C3)cc2)cc1 ZINC001237657415 1131124499 /nfs/dbraw/zinc/12/44/99/1131124499.db2.gz JCVICOLUGKIOOH-WDSOQIARSA-N 0 1 297.373 3.849 20 0 CHADMN CCCc1ccc(NC(=O)c2cc3[nH]cnc3cc2F)cc1 ZINC000816833754 1131129102 /nfs/dbraw/zinc/12/91/02/1131129102.db2.gz SRYYSJMBZHVIES-UHFFFAOYSA-N 0 1 297.333 3.907 20 0 CHADMN COC[C@H]1CCC[N@H+]1Cc1cc(C)c(Cl)cc1Cl ZINC001237701451 1131129342 /nfs/dbraw/zinc/12/93/42/1131129342.db2.gz JLQRRUHXUSRHGE-GFCCVEGCSA-N 0 1 288.218 3.913 20 0 CHADMN COC[C@H]1CCCN1Cc1cc(C)c(Cl)cc1Cl ZINC001237701451 1131129344 /nfs/dbraw/zinc/12/93/44/1131129344.db2.gz JLQRRUHXUSRHGE-GFCCVEGCSA-N 0 1 288.218 3.913 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N(CC)CC(=O)OC(C)C ZINC001116161246 1131131685 /nfs/dbraw/zinc/13/16/85/1131131685.db2.gz KSDFOCFJGSPFGI-QGZVFWFLSA-N 0 1 291.435 3.590 20 0 CHADMN CCCC[C@H](C)[N@@H+](C)Cc1cc(C(=O)OC)oc1CC ZINC001170846349 1131132385 /nfs/dbraw/zinc/13/23/85/1131132385.db2.gz JVIFMGAQMSTIIU-LBPRGKRZSA-N 0 1 281.396 3.639 20 0 CHADMN Cc1ccc2nc(NC(=O)C=Cc3ccsc3)[nH]c2c1 ZINC000817017399 1131136213 /nfs/dbraw/zinc/13/62/13/1131136213.db2.gz MKQNGAMTARAWQW-HWKANZROSA-N 0 1 283.356 3.585 20 0 CHADMN CC1(C)CN(C(=O)c2cnc(C3CC3)[nH]2)[C@H]1c1ccccc1 ZINC001116254675 1131136584 /nfs/dbraw/zinc/13/65/84/1131136584.db2.gz CGYOFDWOTLNBQY-HNNXBMFYSA-N 0 1 295.386 3.510 20 0 CHADMN c1ccc(CN(Cc2cccc3c2OCC3)C2CC2)cc1 ZINC001237749603 1131138083 /nfs/dbraw/zinc/13/80/83/1131138083.db2.gz PCROZYMSJOKYOK-UHFFFAOYSA-N 0 1 279.383 3.786 20 0 CHADMN COc1ccc(CN2CCCCC[C@@H]2C)c(Cl)n1 ZINC001237798046 1131140359 /nfs/dbraw/zinc/14/03/59/1131140359.db2.gz ARPNNPCVCVDCGF-NSHDSACASA-N 0 1 268.788 3.508 20 0 CHADMN Cc1cc(CN2CCC[C@H]2Cc2ccccc2Cl)[nH]n1 ZINC001116440496 1131145032 /nfs/dbraw/zinc/14/50/32/1131145032.db2.gz KEASNKXVCSZAQY-HNNXBMFYSA-N 0 1 289.810 3.579 20 0 CHADMN COc1cc(CN2CCC[C@H]2c2cccn2C)ccc1F ZINC001116438247 1131145195 /nfs/dbraw/zinc/14/51/95/1131145195.db2.gz KCBCNOHKHSVTLR-INIZCTEOSA-N 0 1 288.366 3.510 20 0 CHADMN CN(Cc1ccccc1)Cc1cccc(-c2ccccn2)n1 ZINC001237830724 1131145597 /nfs/dbraw/zinc/14/55/97/1131145597.db2.gz SPLMLHUKMMHFTQ-UHFFFAOYSA-N 0 1 289.382 3.776 20 0 CHADMN Cc1cc(CN2CCc3cc(C(C)(C)C)ccc3C2)n[nH]1 ZINC001116441920 1131146460 /nfs/dbraw/zinc/14/64/60/1131146460.db2.gz YLFARSGZMOOQLY-UHFFFAOYSA-N 0 1 283.419 3.574 20 0 CHADMN C[C@@H]1CCN(Cc2ccccc2C2CCOCC2)C[C@H]1F ZINC001237899615 1131149248 /nfs/dbraw/zinc/14/92/48/1131149248.db2.gz QCCIXKOGAPNLLJ-RDTXWAMCSA-N 0 1 291.410 3.761 20 0 CHADMN CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2cncn2c1C ZINC001116527697 1131152256 /nfs/dbraw/zinc/15/22/56/1131152256.db2.gz KNCVBVIGISNWPJ-RHSMWYFYSA-N 0 1 299.418 3.731 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc2cncn2c1C ZINC001116527244 1131152422 /nfs/dbraw/zinc/15/24/22/1131152422.db2.gz BBWICCCARSOVBN-DYVFJYSZSA-N 0 1 299.418 3.684 20 0 CHADMN F[C@@H]1CCN(Cc2ccc(COc3ccccc3)cc2)C1 ZINC001237927131 1131153541 /nfs/dbraw/zinc/15/35/41/1131153541.db2.gz YSPDUHGVJXPHFJ-QGZVFWFLSA-N 0 1 285.362 3.809 20 0 CHADMN CC1CCN(Cc2csc(-c3ccc(O)cc3)n2)CC1 ZINC001237977590 1131156646 /nfs/dbraw/zinc/15/66/46/1131156646.db2.gz LABUGEWSOUZYJE-UHFFFAOYSA-N 0 1 288.416 3.748 20 0 CHADMN CC[C@H](C)N(C(=O)c1ccc2cncn2c1C)[C@@H](C)CC ZINC001116609105 1131157130 /nfs/dbraw/zinc/15/71/30/1131157130.db2.gz FPHGDSOBOFMTGQ-STQMWFEESA-N 0 1 287.407 3.682 20 0 CHADMN [O-]c1c(F)cc(C[N@@H+]2CCCC(F)(F)CC2)cc1Cl ZINC001237984325 1131158192 /nfs/dbraw/zinc/15/81/92/1131158192.db2.gz NQXXEVYTIZEXEU-UHFFFAOYSA-N 0 1 293.716 3.806 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CCCC(F)(F)CC2)cc1Cl ZINC001237984325 1131158195 /nfs/dbraw/zinc/15/81/95/1131158195.db2.gz NQXXEVYTIZEXEU-UHFFFAOYSA-N 0 1 293.716 3.806 20 0 CHADMN [O-]c1c(F)cc(C[NH+]2CC3(C2)CCCCC3)cc1Cl ZINC001237992999 1131158298 /nfs/dbraw/zinc/15/82/98/1131158298.db2.gz ONUSBOXPDPSHCG-UHFFFAOYSA-N 0 1 283.774 3.951 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]1Cc1cc(F)c([O-])c(Cl)c1 ZINC001237993990 1131159310 /nfs/dbraw/zinc/15/93/10/1131159310.db2.gz XYWPKOCAWLOKNV-ZDUSSCGKSA-N 0 1 271.763 3.805 20 0 CHADMN FC(F)C1CCN(Cc2[nH]nc3cc(Cl)ccc32)CC1 ZINC001238000870 1131159576 /nfs/dbraw/zinc/15/95/76/1131159576.db2.gz QRZZODTUEQTEQF-UHFFFAOYSA-N 0 1 299.752 3.693 20 0 CHADMN Clc1ccc2c(c1)n[nH]c2CN1CC(c2ccccc2)C1 ZINC001238000754 1131160190 /nfs/dbraw/zinc/16/01/90/1131160190.db2.gz NSMOANQUHUBSBW-UHFFFAOYSA-N 0 1 297.789 3.816 20 0 CHADMN CO[C@H]1CCN(Cc2c(F)ccc(C)c2Cl)[C@@H](C)C1 ZINC001138030436 1131163893 /nfs/dbraw/zinc/16/38/93/1131163893.db2.gz FZMBLLHPTCGSSF-RYUDHWBXSA-N 0 1 285.790 3.787 20 0 CHADMN c1cc(CN2CCC2)cc(OCC2CCCCC2)c1 ZINC001238065989 1131167245 /nfs/dbraw/zinc/16/72/45/1131167245.db2.gz GOPRZALBVGFQEZ-UHFFFAOYSA-N 0 1 259.393 3.851 20 0 CHADMN CCC[N@@H+](CC)Cc1cc(F)cc(Br)c1F ZINC001238073622 1131168161 /nfs/dbraw/zinc/16/81/61/1131168161.db2.gz HJILFIYPZVCGFN-UHFFFAOYSA-N 0 1 292.167 3.959 20 0 CHADMN CCCN(CC)Cc1cc(F)cc(Br)c1F ZINC001238073622 1131168163 /nfs/dbraw/zinc/16/81/63/1131168163.db2.gz HJILFIYPZVCGFN-UHFFFAOYSA-N 0 1 292.167 3.959 20 0 CHADMN Cc1cc(CN2CC[C@H]3CCCO[C@H]3C2)cc(C)c1Cl ZINC001238091018 1131169091 /nfs/dbraw/zinc/16/90/91/1131169091.db2.gz VEVGLMYCNBVTHG-CVEARBPZSA-N 0 1 293.838 3.958 20 0 CHADMN Fc1ncc(C2CC2)cc1Nc1ccc2c[nH]nc2c1 ZINC001159662904 1131170171 /nfs/dbraw/zinc/17/01/71/1131170171.db2.gz KTBGYUZMJFVDMF-UHFFFAOYSA-N 0 1 268.295 3.718 20 0 CHADMN Cc1ccc(O)cc1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC001238100439 1131170969 /nfs/dbraw/zinc/17/09/69/1131170969.db2.gz BZMLIRAZEGBATM-UHFFFAOYSA-N 0 1 279.383 3.990 20 0 CHADMN Cc1ccc(O)cc1C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC001238100589 1131171106 /nfs/dbraw/zinc/17/11/06/1131171106.db2.gz DMSDRVREZAJUGH-CQSZACIVSA-N 0 1 267.372 3.647 20 0 CHADMN CC1(C)CN([C@@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170873200 1131172156 /nfs/dbraw/zinc/17/21/56/1131172156.db2.gz UFWOICVTAMYHSF-CQSZACIVSA-N 0 1 294.236 3.648 20 0 CHADMN Oc1cc(F)c(CN2CCC(C(F)F)CC2)cc1Cl ZINC001238148778 1131174151 /nfs/dbraw/zinc/17/41/51/1131174151.db2.gz BVZDQJMBDUIXFZ-UHFFFAOYSA-N 0 1 293.716 3.662 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cc(Cl)c(O)cc2F)C1 ZINC001238145784 1131174524 /nfs/dbraw/zinc/17/45/24/1131174524.db2.gz FSBHFQNJAZMYPW-CYBMUJFWSA-N 0 1 275.726 3.509 20 0 CHADMN CSc1ccccc1[C@H]1CCCN1Cc1cncnc1C ZINC001238178095 1131176697 /nfs/dbraw/zinc/17/66/97/1131176697.db2.gz KKLROKWPXQKBHT-MRXNPFEDSA-N 0 1 299.443 3.844 20 0 CHADMN CC(C)c1cc(CN2CCC(C)(O)CC2)ccc1Cl ZINC001238217581 1131181240 /nfs/dbraw/zinc/18/12/40/1131181240.db2.gz IAIWVNOAPLWIRA-UHFFFAOYSA-N 0 1 281.827 3.810 20 0 CHADMN CC(C)c1cc(CN2CCCC[C@H]2CO)ccc1Cl ZINC001238220495 1131183499 /nfs/dbraw/zinc/18/34/99/1131183499.db2.gz VNWPNJPEILHMRP-AWEZNQCLSA-N 0 1 281.827 3.810 20 0 CHADMN CCC[N@@H+](Cc1ccc(F)cc1C(=O)[O-])[C@@H](C)CC ZINC001238236593 1131186236 /nfs/dbraw/zinc/18/62/36/1131186236.db2.gz FJTGZFWZGJMZHN-NSHDSACASA-N 0 1 267.344 3.534 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)[C@](C)(O)CC2)c(F)cc1Cl ZINC001238300025 1131187999 /nfs/dbraw/zinc/18/79/99/1131187999.db2.gz OZDFZUJNRDQNER-MLGOLLRUSA-N 0 1 299.817 3.770 20 0 CHADMN Cc1cc(CN2CC[C@@H]3OCCC[C@@H]3C2)c(F)cc1Cl ZINC001238298219 1131188264 /nfs/dbraw/zinc/18/82/64/1131188264.db2.gz FSLPRXNJCNUPAP-WBMJQRKESA-N 0 1 297.801 3.788 20 0 CHADMN Cc1cc(CN2CC[C@H](C)[C@@](C)(O)CC2)c(F)cc1Cl ZINC001238300024 1131188274 /nfs/dbraw/zinc/18/82/74/1131188274.db2.gz OZDFZUJNRDQNER-LRDDRELGSA-N 0 1 299.817 3.770 20 0 CHADMN CN(C)c1ncccc1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001117614263 1131190598 /nfs/dbraw/zinc/19/05/98/1131190598.db2.gz MJUQSQNRFKJSKZ-QGZVFWFLSA-N 0 1 299.393 3.624 20 0 CHADMN CN(C)c1ncccc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC001117614263 1131190601 /nfs/dbraw/zinc/19/06/01/1131190601.db2.gz MJUQSQNRFKJSKZ-QGZVFWFLSA-N 0 1 299.393 3.624 20 0 CHADMN COc1cc(CN2CCC(C(C)C)CC2)c(Cl)cn1 ZINC001238354684 1131193175 /nfs/dbraw/zinc/19/31/75/1131193175.db2.gz OSHPHJHOAHCBKG-UHFFFAOYSA-N 0 1 282.815 3.612 20 0 CHADMN CCOc1ccc(CN2CC[C@@H](OC)C[C@H]2C)c(Cl)c1 ZINC001238401657 1131195814 /nfs/dbraw/zinc/19/58/14/1131195814.db2.gz BYEUJAJEXGQKOW-TZMCWYRMSA-N 0 1 297.826 3.738 20 0 CHADMN CCOc1ccc(CN2CCC(COC)CC2)c(Cl)c1 ZINC001238398638 1131195966 /nfs/dbraw/zinc/19/59/66/1131195966.db2.gz YHUHSNFCNMHJPD-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN CCOc1ccc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c(Cl)c1 ZINC001238400353 1131196179 /nfs/dbraw/zinc/19/61/79/1131196179.db2.gz QOBKHYBPLJMWEW-SLEUVZQESA-N 0 1 283.774 3.671 20 0 CHADMN CC(C)Oc1cccc(CN2CCCC23CC3)c1F ZINC001238420954 1131197928 /nfs/dbraw/zinc/19/79/28/1131197928.db2.gz DJLBKPMURLYXTR-UHFFFAOYSA-N 0 1 263.356 3.741 20 0 CHADMN CC(C)Oc1cccc(CN2CC[C@]3(CC3(F)F)C2)c1F ZINC001238426006 1131199196 /nfs/dbraw/zinc/19/91/96/1131199196.db2.gz DBWMQBUNQYJTQV-HNNXBMFYSA-N 0 1 299.336 3.844 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC3(C2)CCOCC3)c1F ZINC001138034732 1131199970 /nfs/dbraw/zinc/19/99/70/1131199970.db2.gz RCIKGJFHAYEYLB-UHFFFAOYSA-N 0 1 297.801 3.790 20 0 CHADMN CO[C@@H]1CCN(Cc2ccc(OC(C)C)cc2F)[C@H](C)C1 ZINC001238448233 1131201748 /nfs/dbraw/zinc/20/17/48/1131201748.db2.gz OEZOJPGGYDIQDJ-UKRRQHHQSA-N 0 1 295.398 3.612 20 0 CHADMN C[C@H]([NH3+])c1ccc(-c2c(F)ccc([O-])c2Cl)cc1 ZINC001245832749 1131203085 /nfs/dbraw/zinc/20/30/85/1131203085.db2.gz UJBCAHCNUWKVPO-QMMMGPOBSA-N 0 1 265.715 3.871 20 0 CHADMN CC(C)Oc1cncc(CN(C)[C@H]2CCc3ccccc32)c1 ZINC001238473857 1131206097 /nfs/dbraw/zinc/20/60/97/1131206097.db2.gz JDURMOVCAAQNNS-IBGZPJMESA-N 0 1 296.414 3.988 20 0 CHADMN COc1c(CN2CC[C@H](C)C[C@@H]2C)ccc(F)c1F ZINC001238474102 1131206488 /nfs/dbraw/zinc/20/64/88/1131206488.db2.gz UOPMDSMAOPQNIE-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN CCCCOc1ncc(CN2CC3(C2)CCCC3)cc1C ZINC001238489021 1131209352 /nfs/dbraw/zinc/20/93/52/1131209352.db2.gz GZBYFBGLIHWYQM-UHFFFAOYSA-N 0 1 288.435 3.945 20 0 CHADMN CCCCOc1ncc(CN2CCC(F)CC2)cc1C ZINC001238495662 1131209642 /nfs/dbraw/zinc/20/96/42/1131209642.db2.gz CMJOSLBGRAHARR-UHFFFAOYSA-N 0 1 280.387 3.503 20 0 CHADMN Cc1c(Cl)ccc(CN2CCC[C@]3(CCOC3)C2)c1F ZINC001238514085 1131212029 /nfs/dbraw/zinc/21/20/29/1131212029.db2.gz XIJSNBAFQVSPFX-INIZCTEOSA-N 0 1 297.801 3.790 20 0 CHADMN Cc1c(Cl)ccc(CN2CC[C@H](C)[C@](C)(O)CC2)c1F ZINC001238512806 1131212425 /nfs/dbraw/zinc/21/24/25/1131212425.db2.gz PGAROPVMAMWRKQ-MEDUHNTESA-N 0 1 299.817 3.770 20 0 CHADMN CC(C)Oc1c(F)ccc(CN2C[C@H]3CCC[C@@H]3C2)c1F ZINC001238527281 1131213444 /nfs/dbraw/zinc/21/34/44/1131213444.db2.gz JMAKBSSWDCGJMH-CHWSQXEVSA-N 0 1 295.373 3.984 20 0 CHADMN CCN(CC)Cc1ccc(F)c(OC(C)C)c1F ZINC001238527169 1131213585 /nfs/dbraw/zinc/21/35/85/1131213585.db2.gz ICSQMWKFDBJNDC-UHFFFAOYSA-N 0 1 257.324 3.594 20 0 CHADMN CCO[C@H]1CCCN(Cc2cc(C)ccc2Cl)C1 ZINC001238555672 1131215182 /nfs/dbraw/zinc/21/51/82/1131215182.db2.gz BOEIEMHWGGLYBL-AWEZNQCLSA-N 0 1 267.800 3.649 20 0 CHADMN COc1cc(C)cc(F)c1CN(C)CC(C)(C)C ZINC001238591284 1131220494 /nfs/dbraw/zinc/22/04/94/1131220494.db2.gz ITTIZDARCKRSGW-UHFFFAOYSA-N 0 1 253.361 3.621 20 0 CHADMN Cc1cc(CN2CCC[C@H](C(F)F)C2)cnc1C1CC1 ZINC001238628144 1131224326 /nfs/dbraw/zinc/22/43/26/1131224326.db2.gz NGUAIRSITIEXGA-AWEZNQCLSA-N 0 1 280.362 3.745 20 0 CHADMN CCCCCN(C)Cc1cc(F)c(F)cc1OCC ZINC001238656167 1131225648 /nfs/dbraw/zinc/22/56/48/1131225648.db2.gz IBRJFKDRRGNWSK-UHFFFAOYSA-N 0 1 271.351 3.986 20 0 CHADMN CCOc1cc(F)c(F)cc1CN1CCCCCC1 ZINC001238651817 1131226817 /nfs/dbraw/zinc/22/68/17/1131226817.db2.gz KWAAHWVZANDBHN-UHFFFAOYSA-N 0 1 269.335 3.740 20 0 CHADMN CCc1ccc(-c2n[nH]c(S[C@H]3CCSC3)n2)cc1 ZINC001118469389 1131227936 /nfs/dbraw/zinc/22/79/36/1131227936.db2.gz DKHUETYEKITBAE-LBPRGKRZSA-N 0 1 291.445 3.632 20 0 CHADMN Cc1nc2c(n1Cc1ccc(OC(C)C)cc1)CCCC2 ZINC001118480307 1131228429 /nfs/dbraw/zinc/22/84/29/1131228429.db2.gz YFMOKKJOGASLMO-UHFFFAOYSA-N 0 1 284.403 3.906 20 0 CHADMN CSc1cc(C)cc(CN2C[C@@H](C)C[C@H]2CF)c1 ZINC001238675041 1131229396 /nfs/dbraw/zinc/22/93/96/1131229396.db2.gz JLHDCUPXXGXBHU-JSGCOSHPSA-N 0 1 267.413 3.897 20 0 CHADMN Cc1cccc([C@@H](c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)C(C)C)c1 ZINC000823209891 1131417600 /nfs/dbraw/zinc/41/76/00/1131417600.db2.gz KBLBYHQQHOZQBN-WCVJEAGWSA-N 0 1 297.402 3.589 20 0 CHADMN ClC1(Cl)C[C@H]1CCN1CCOCC12CCCCC2 ZINC000823221958 1131419011 /nfs/dbraw/zinc/41/90/11/1131419011.db2.gz YCLWXWWWZMOKJM-GFCCVEGCSA-N 0 1 292.250 3.605 20 0 CHADMN Cc1ccc(-c2noc([C@@H]3C[C@H](C)CCN3)n2)cc1Cl ZINC000823258752 1131419344 /nfs/dbraw/zinc/41/93/44/1131419344.db2.gz HSTJXBSSXKSBGL-RNCFNFMXSA-N 0 1 291.782 3.759 20 0 CHADMN CC(F)(F)c1ccc(-c2noc([C@@H]3CCCCN3)n2)cc1 ZINC000823231475 1131419622 /nfs/dbraw/zinc/41/96/22/1131419622.db2.gz WLNXBKPDASDKOO-LBPRGKRZSA-N 0 1 293.317 3.663 20 0 CHADMN CCOc1cc(Nc2ccc3nc[nH]c3c2)c(F)cc1F ZINC001160224109 1131422998 /nfs/dbraw/zinc/42/29/98/1131422998.db2.gz OYKIDTLGHXHBSU-UHFFFAOYSA-N 0 1 289.285 3.983 20 0 CHADMN CCC1CCC(N(C)Cc2cc(F)ncc2F)CC1 ZINC000823399489 1131425243 /nfs/dbraw/zinc/42/52/43/1131425243.db2.gz GNLAASRJBLIPGG-UHFFFAOYSA-N 0 1 268.351 3.760 20 0 CHADMN Fc1cc(F)c(F)c(CN2CCC[C@H]3CCC[C@@H]32)c1 ZINC001137873902 1131428090 /nfs/dbraw/zinc/42/80/90/1131428090.db2.gz YEVXIUMNLLPJPP-YGRLFVJLSA-N 0 1 269.310 3.868 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cc(C3CC3)nn2C)cc1 ZINC000823585079 1131432526 /nfs/dbraw/zinc/43/25/26/1131432526.db2.gz UILOYKAJRKVSAE-CYBMUJFWSA-N 0 1 283.419 3.711 20 0 CHADMN Cc1cc([C@@H](C)NCc2cc(C3CC3)nn2C)c(C)s1 ZINC000823625047 1131434386 /nfs/dbraw/zinc/43/43/86/1131434386.db2.gz NMCPCHLUKIMMRG-LLVKDONJSA-N 0 1 289.448 3.827 20 0 CHADMN CCCC[C@@H](C(=O)Nc1cc(C(C)=O)ccc1O)C(C)C ZINC001137920776 1131435600 /nfs/dbraw/zinc/43/56/00/1131435600.db2.gz HCZYBIHXSPRHFU-CQSZACIVSA-N 0 1 291.391 3.996 20 0 CHADMN CC(C)c1ccc(CNCc2cc(C3CC3)nn2C)cc1 ZINC000823701968 1131437748 /nfs/dbraw/zinc/43/77/48/1131437748.db2.gz JJLAMVOHQPPVJI-UHFFFAOYSA-N 0 1 283.419 3.711 20 0 CHADMN Fc1ccc(CN2CC3CCC(CC3)C2)c(F)c1F ZINC001137940086 1131439237 /nfs/dbraw/zinc/43/92/37/1131439237.db2.gz FVSUJKWVQSCOME-UHFFFAOYSA-N 0 1 269.310 3.726 20 0 CHADMN CN(CCC(C)(C)C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000829932831 1131439795 /nfs/dbraw/zinc/43/97/95/1131439795.db2.gz SUAZIGBPBIFZLU-UHFFFAOYSA-N 0 1 291.370 3.744 20 0 CHADMN Cc1c2nc[nH]c2ccc1N[C@@H]1CCc2ccc(O)cc2C1 ZINC001171031151 1131442048 /nfs/dbraw/zinc/44/20/48/1131442048.db2.gz AWYYSVOYUOSEJO-CQSZACIVSA-N 0 1 293.370 3.546 20 0 CHADMN Cc1ccc(CN2CCC3(CC(F)C3)CC2)c(F)c1F ZINC001137966060 1131443143 /nfs/dbraw/zinc/44/31/43/1131443143.db2.gz LVOPOWWKRPWAMB-UHFFFAOYSA-N 0 1 283.337 3.987 20 0 CHADMN COc1nccc(CN[C@H](C)c2csc3ccccc23)n1 ZINC000823790000 1131443653 /nfs/dbraw/zinc/44/36/53/1131443653.db2.gz USXQVAKNCOUVMI-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN CSC1CCN(Cc2ccc(C)c(F)c2F)CC1 ZINC001137969994 1131444240 /nfs/dbraw/zinc/44/42/40/1131444240.db2.gz QTZQSEGVNZCGTL-UHFFFAOYSA-N 0 1 271.376 3.601 20 0 CHADMN CC(C)(NCc1ccnc(Cl)c1F)c1cccs1 ZINC000823871792 1131444863 /nfs/dbraw/zinc/44/48/63/1131444863.db2.gz NRJZPUDEWUVWQC-UHFFFAOYSA-N 0 1 284.787 3.961 20 0 CHADMN F[C@H]1CN(Cc2cc3ccccc3nc2Cl)C[C@@H]2C[C@@H]21 ZINC001137973975 1131445532 /nfs/dbraw/zinc/44/55/32/1131445532.db2.gz ROMZPHMAKPLKME-UBHSHLNASA-N 0 1 290.769 3.678 20 0 CHADMN C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc(Cl)c(O)c1 ZINC001136791747 1131446396 /nfs/dbraw/zinc/44/63/96/1131446396.db2.gz ZUHPJDWTOHAALA-NWDGAFQWSA-N 0 1 295.810 3.992 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1[C@H]1CCc2c(Cl)cccc2C1 ZINC001171037818 1131447307 /nfs/dbraw/zinc/44/73/07/1131447307.db2.gz QMLRRNZLYLYNSK-RTXFEEFZSA-N 0 1 267.775 3.630 20 0 CHADMN COC(=O)[C@@]1(C)CCCN1Cc1ccc(C)c2ccccc12 ZINC001138014062 1131450527 /nfs/dbraw/zinc/45/05/27/1131450527.db2.gz BINNCNJBBTXMDM-LJQANCHMSA-N 0 1 297.398 3.676 20 0 CHADMN CCCCCC[C@@H](CC)C(=O)N(C)Cc1cn[nH]c1C ZINC000824050368 1131451803 /nfs/dbraw/zinc/45/18/03/1131451803.db2.gz CKLLSWYLNNCDEF-CQSZACIVSA-N 0 1 279.428 3.673 20 0 CHADMN CCCCC[C@@H](C(=O)N(C)Cc1cn[nH]c1C)C(C)C ZINC000824050708 1131452120 /nfs/dbraw/zinc/45/21/20/1131452120.db2.gz ICLSFWZDDUVJSK-OAHLLOKOSA-N 0 1 279.428 3.529 20 0 CHADMN C[C@@H](CC(C)(C)C)Nc1cnn(-c2ccncc2)c1 ZINC000824092050 1131453112 /nfs/dbraw/zinc/45/31/12/1131453112.db2.gz SLVQWLXTMWLRKR-LBPRGKRZSA-N 0 1 258.369 3.504 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@]3(C2)CCCOC3)c1Cl ZINC001138028973 1131454564 /nfs/dbraw/zinc/45/45/64/1131454564.db2.gz AQEYMBIXXWNRBH-MRXNPFEDSA-N 0 1 297.801 3.790 20 0 CHADMN Cc1ccc([C@H]2CCN(Cc3cc(F)ncc3F)C2)cc1 ZINC000824153825 1131456879 /nfs/dbraw/zinc/45/68/79/1131456879.db2.gz WOMDXJARRBJSNZ-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN Cn1nc(C2CC2)cc1CN[C@@H]1CCCc2sccc21 ZINC000824180939 1131457374 /nfs/dbraw/zinc/45/73/74/1131457374.db2.gz IXZHLSLLQRAKNP-CQSZACIVSA-N 0 1 287.432 3.526 20 0 CHADMN C[C@]1(O)CCCN(Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001136856430 1131462345 /nfs/dbraw/zinc/46/23/45/1131462345.db2.gz IYQSBZJMNJXPFN-INIZCTEOSA-N 0 1 292.810 3.558 20 0 CHADMN Clc1cccc2[nH]c(CN3CCC[C@H]4C[C@H]43)cc21 ZINC001136863502 1131465860 /nfs/dbraw/zinc/46/58/60/1131465860.db2.gz FBOMEVSYWWAWRW-ZUZCIYMTSA-N 0 1 260.768 3.806 20 0 CHADMN CN(Cc1ccnc(Cl)c1F)C1CCC(F)(F)CC1 ZINC000824401380 1131468406 /nfs/dbraw/zinc/46/84/06/1131468406.db2.gz DNNSHFDEPVGTLT-UHFFFAOYSA-N 0 1 292.732 3.884 20 0 CHADMN Cc1ccc(F)c(CN(CC2CC2)C(C)C)c1F ZINC001138118524 1131468586 /nfs/dbraw/zinc/46/85/86/1131468586.db2.gz MSSHMXTZFWJUTO-UHFFFAOYSA-N 0 1 253.336 3.894 20 0 CHADMN CC(=O)c1ccc([C@H](C)Nc2cnc(N(C)C)cc2C)cc1 ZINC001171055886 1131469394 /nfs/dbraw/zinc/46/93/94/1131469394.db2.gz ISLKPVXNQBYYPW-ZDUSSCGKSA-N 0 1 297.402 3.832 20 0 CHADMN C[C@]1(F)CCCN(Cc2ccc3cnccc3c2)C1 ZINC000824472334 1131469744 /nfs/dbraw/zinc/46/97/44/1131469744.db2.gz QEYSTAVOMFCZCR-INIZCTEOSA-N 0 1 258.340 3.559 20 0 CHADMN Cn1nc(C2CC2)cc1CN[C@H]1CCCc2c(F)cccc21 ZINC000824468825 1131471652 /nfs/dbraw/zinc/47/16/52/1131471652.db2.gz OPMWAPCOYCDJEU-KRWDZBQOSA-N 0 1 299.393 3.604 20 0 CHADMN CC(C)c1cnc(CN2CCCC[C@@H]2C2CCC2)o1 ZINC000830989143 1131474409 /nfs/dbraw/zinc/47/44/09/1131474409.db2.gz SIDNJJHOAAYXOD-CQSZACIVSA-N 0 1 262.397 3.953 20 0 CHADMN CN(Cc1ccc(N2CCCCC2)o1)Cc1cccs1 ZINC001138176211 1131475888 /nfs/dbraw/zinc/47/58/88/1131475888.db2.gz XBJSMMDIELKDJT-UHFFFAOYSA-N 0 1 290.432 3.963 20 0 CHADMN CCC[C@H](NCc1nnc(C(C)(C)C)o1)C(C)(C)C ZINC000831165775 1131478630 /nfs/dbraw/zinc/47/86/30/1131478630.db2.gz MMLJSRRTBAMZLU-NSHDSACASA-N 0 1 267.417 3.672 20 0 CHADMN Clc1cc2c(cc1CN1CCC3(CCCC3)C1)OCO2 ZINC001138243997 1131481352 /nfs/dbraw/zinc/48/13/52/1131481352.db2.gz RNSNEHYQFAREBI-UHFFFAOYSA-N 0 1 293.794 3.835 20 0 CHADMN Cc1nc([C@H](C)NC[C@@]2(C)CC2(Cl)Cl)c(C)s1 ZINC000824765283 1131482712 /nfs/dbraw/zinc/48/27/12/1131482712.db2.gz JCXRIFMOERLQMP-WRWORJQWSA-N 0 1 293.263 3.994 20 0 CHADMN CC(C)(C)c1[nH]c2ccccc2c1CN1C[C@H]2CC[C@@H](C1)O2 ZINC001138311181 1131489566 /nfs/dbraw/zinc/48/95/66/1131489566.db2.gz VBXJSNROJIXBGJ-OKILXGFUSA-N 0 1 298.430 3.829 20 0 CHADMN Oc1cc(O)cc(CN2CCCC[C@H]2c2ccccc2)c1 ZINC001138323993 1131491523 /nfs/dbraw/zinc/49/15/23/1131491523.db2.gz GGQKMDFXYPIDIR-SFHVURJKSA-N 0 1 283.371 3.825 20 0 CHADMN Cc1ccc2c(CN(C)Cc3cccnc3C)c[nH]c2c1 ZINC001136975705 1131491542 /nfs/dbraw/zinc/49/15/42/1131491542.db2.gz OQEVGFXWFXLWQX-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN CC(C)(C)c1ccc(CN2CCOC[C@@H]2C2CC2)cc1 ZINC001204399678 1131494293 /nfs/dbraw/zinc/49/42/93/1131494293.db2.gz SVTQSJCTEHJHKP-QGZVFWFLSA-N 0 1 273.420 3.595 20 0 CHADMN COc1c(F)ccc(CN2CC[C@@H](C)C[C@H]2C)c1F ZINC001143322082 1131495923 /nfs/dbraw/zinc/49/59/23/1131495923.db2.gz UGOOGQUNAXRMIQ-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN Fc1cccc2[nH]cc(CN3CC[C@H](C(F)(F)F)C3)c21 ZINC001136984820 1131497919 /nfs/dbraw/zinc/49/79/19/1131497919.db2.gz SGASFODLDMYSGP-JTQLQIEISA-N 0 1 286.272 3.691 20 0 CHADMN Cc1c2cc(F)ccc2[nH]c1CN(C)Cc1ccncc1 ZINC001138410284 1131500111 /nfs/dbraw/zinc/50/01/11/1131500111.db2.gz YKFIHTHBTRMFHW-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN COc1ncc(CN2CCC[C@@H]2c2cccs2)cc1C ZINC001137004976 1131502366 /nfs/dbraw/zinc/50/23/66/1131502366.db2.gz UWSPMMIUTQPHFY-CQSZACIVSA-N 0 1 288.416 3.797 20 0 CHADMN COc1c(F)cc(CN(C)Cc2cccc(C)c2)cc1F ZINC001138421940 1131503034 /nfs/dbraw/zinc/50/30/34/1131503034.db2.gz WEPHVRAEZIICQU-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(F)c(OC)c(F)c1 ZINC001138425609 1131504379 /nfs/dbraw/zinc/50/43/79/1131504379.db2.gz ZKGMVXUWSQZAPK-LBPRGKRZSA-N 0 1 269.335 3.738 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H]2c2cnccn2)c(C)c1 ZINC001138434206 1131505388 /nfs/dbraw/zinc/50/53/88/1131505388.db2.gz NVNHCBLCFPXYEU-GOSISDBHSA-N 0 1 297.402 3.521 20 0 CHADMN FC(F)(F)c1cnc(CN2CCC3(C2)CCCCC3)[nH]1 ZINC001137020236 1131506735 /nfs/dbraw/zinc/50/67/35/1131506735.db2.gz IGPRILQWKQORQJ-UHFFFAOYSA-N 0 1 287.329 3.585 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN2C[C@@H](C)C[C@H]2CF)cc1 ZINC001138447188 1131507592 /nfs/dbraw/zinc/50/75/92/1131507592.db2.gz RRHNUQSIHCDYNN-BBRMVZONSA-N 0 1 287.382 3.565 20 0 CHADMN Cc1c2ccccc2sc1CN(C)Cc1cnn(C)c1 ZINC001138458857 1131508119 /nfs/dbraw/zinc/50/81/19/1131508119.db2.gz LLKDGBFHZHQYTE-UHFFFAOYSA-N 0 1 285.416 3.575 20 0 CHADMN c1cncc([C@@H]2CCCCN2Cc2ccc3c(c2)COC3)c1 ZINC001137027190 1131509733 /nfs/dbraw/zinc/50/97/33/1131509733.db2.gz IUGFEFVFDPILTI-IBGZPJMESA-N 0 1 294.398 3.839 20 0 CHADMN c1nc(-c2ccccc2)sc1CN1CC2(CCC2)C1 ZINC001138527680 1131517043 /nfs/dbraw/zinc/51/70/43/1131517043.db2.gz RYWSUBYJQGXKKL-UHFFFAOYSA-N 0 1 270.401 3.796 20 0 CHADMN CCC/C=C\C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831879905 1131517991 /nfs/dbraw/zinc/51/79/91/1131517991.db2.gz PPLGRBJBRXHMGD-PIZKADEWSA-N 0 1 289.423 3.595 20 0 CHADMN CCC[C@@H](C)C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831904609 1131518663 /nfs/dbraw/zinc/51/86/63/1131518663.db2.gz FWLWPICUZPJCNZ-KGLIPLIRSA-N 0 1 291.439 3.675 20 0 CHADMN CC(C)c1cc([C@H]2CCCN(C(=O)[C@@H](C)C(C)C)C2)n[nH]1 ZINC000831904586 1131518696 /nfs/dbraw/zinc/51/86/96/1131518696.db2.gz FMHISLHUFXZJSR-KBPBESRZSA-N 0 1 291.439 3.531 20 0 CHADMN CCC[C@H](C)C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831904610 1131519207 /nfs/dbraw/zinc/51/92/07/1131519207.db2.gz FWLWPICUZPJCNZ-UONOGXRCSA-N 0 1 291.439 3.675 20 0 CHADMN CC(C)c1cc([C@H]2CCCN(C(=O)c3ccccc3)C2)n[nH]1 ZINC000831925536 1131521234 /nfs/dbraw/zinc/52/12/34/1131521234.db2.gz GVIWQXOOIXURHG-HNNXBMFYSA-N 0 1 297.402 3.553 20 0 CHADMN Cc1cc(CN2CCc3cc(O)ccc3C2)c(C)s1 ZINC001138567297 1131522066 /nfs/dbraw/zinc/52/20/66/1131522066.db2.gz ZOYKPCFKECLOHS-UHFFFAOYSA-N 0 1 273.401 3.629 20 0 CHADMN COc1ccc(-c2cccc(CN3CCOC[C@H]3C)c2)cc1 ZINC001138614318 1131527018 /nfs/dbraw/zinc/52/70/18/1131527018.db2.gz WXXFWECOGLIGRH-OAHLLOKOSA-N 0 1 297.398 3.583 20 0 CHADMN Cc1c(F)cc(F)cc1C[N@@H+]1CC[C@H](C)C[C@H]1C ZINC001143767704 1131530716 /nfs/dbraw/zinc/53/07/16/1131530716.db2.gz IDNQCORKOBRLHN-WDEREUQCSA-N 0 1 253.336 3.894 20 0 CHADMN Cc1c(F)cc(F)cc1CN1CCCC(F)(F)CC1 ZINC001143757961 1131531971 /nfs/dbraw/zinc/53/19/71/1131531971.db2.gz SCLUCIQQIRDOEX-UHFFFAOYSA-N 0 1 275.289 3.894 20 0 CHADMN CC1CCN(Cc2ccc(OC(F)(F)F)cc2F)CC1 ZINC001143782401 1131533254 /nfs/dbraw/zinc/53/32/54/1131533254.db2.gz MZZMFCZQYMTMGI-UHFFFAOYSA-N 0 1 291.288 3.956 20 0 CHADMN FC1(F)CCC[C@H]1N[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171105557 1131533525 /nfs/dbraw/zinc/53/35/25/1131533525.db2.gz VCHVXSWLGKEIIG-ZIAGYGMSSA-N 0 1 285.765 3.975 20 0 CHADMN CC[C@@H](NCc1cn2cccc(F)c2n1)c1ccccc1 ZINC001202851598 1131534834 /nfs/dbraw/zinc/53/48/34/1131534834.db2.gz UMDOJDIDHMIXFX-MRXNPFEDSA-N 0 1 283.350 3.714 20 0 CHADMN CC(C)c1nc(CN(C)C[C@@H]2CC2(C)C)cs1 ZINC001138887481 1131557720 /nfs/dbraw/zinc/55/77/20/1131557720.db2.gz ADYSQYLSZFDXTQ-NSHDSACASA-N 0 1 252.427 3.744 20 0 CHADMN COc1c(F)cc(CN2C[C@@H]3CCC[C@H]3C2)cc1Cl ZINC001143840206 1131538144 /nfs/dbraw/zinc/53/81/44/1131538144.db2.gz VWLXZNAKSAFUIH-RYUDHWBXSA-N 0 1 283.774 3.720 20 0 CHADMN CNc1ncccc1CN1CCC[C@H]1c1cccs1 ZINC001138692065 1131538494 /nfs/dbraw/zinc/53/84/94/1131538494.db2.gz DLOHRFGVJVBZCI-ZDUSSCGKSA-N 0 1 273.405 3.522 20 0 CHADMN CCN(Cc1ccc(C)c(C)c1)Cc1cccnc1NC ZINC001138694769 1131538589 /nfs/dbraw/zinc/53/85/89/1131538589.db2.gz KHYCGGXGFJCAHI-UHFFFAOYSA-N 0 1 283.419 3.762 20 0 CHADMN CSc1ncc(CN2CCC[C@H]2c2cccc(C)c2)cn1 ZINC001138702185 1131539105 /nfs/dbraw/zinc/53/91/05/1131539105.db2.gz XXQUNTCLXIZHQD-INIZCTEOSA-N 0 1 299.443 3.844 20 0 CHADMN CC[C@H](O)c1cccc(-c2cc(C(F)(F)F)n[nH]2)c1 ZINC000844234393 1131541658 /nfs/dbraw/zinc/54/16/58/1131541658.db2.gz HTMJDGKUBXXYPM-NSHDSACASA-N 0 1 270.254 3.539 20 0 CHADMN c1ccc([C@H]2CC[N@@H+]2Cc2ccc3c(c2)CCCO3)cc1 ZINC001138719122 1131542019 /nfs/dbraw/zinc/54/20/19/1131542019.db2.gz RBVDLYLUWJLYRV-GOSISDBHSA-N 0 1 279.383 3.959 20 0 CHADMN c1ccc([C@H]2CCN2Cc2ccc3c(c2)CCCO3)cc1 ZINC001138719122 1131542021 /nfs/dbraw/zinc/54/20/21/1131542021.db2.gz RBVDLYLUWJLYRV-GOSISDBHSA-N 0 1 279.383 3.959 20 0 CHADMN CCCCc1ccc(CN2CCC[C@H]2C(C)=O)s1 ZINC001138755439 1131547802 /nfs/dbraw/zinc/54/78/02/1131547802.db2.gz PCMDLUJROGULSS-HNNXBMFYSA-N 0 1 265.422 3.644 20 0 CHADMN COc1ccc(Cl)c(CN2C[C@@H](C)C[C@H](C)C2)c1F ZINC001143897864 1131549609 /nfs/dbraw/zinc/54/96/09/1131549609.db2.gz JKDLEFYLQZPQAB-QWRGUYRKSA-N 0 1 285.790 3.966 20 0 CHADMN c1cc2cc(CN3CCC[C@H]3c3cnccn3)ccc2o1 ZINC001138824164 1131552892 /nfs/dbraw/zinc/55/28/92/1131552892.db2.gz AUEFVNGTZOLWSD-INIZCTEOSA-N 0 1 279.343 3.560 20 0 CHADMN Cc1c(CN2CCCC3(COC3)C2)cccc1C(F)(F)F ZINC001143922901 1131555491 /nfs/dbraw/zinc/55/54/91/1131555491.db2.gz PSSLGZJKGBTDJT-UHFFFAOYSA-N 0 1 299.336 3.626 20 0 CHADMN CCOc1ccc(F)c(CN(CC2CC2)C(C)C)c1F ZINC001143937236 1131555763 /nfs/dbraw/zinc/55/57/63/1131555763.db2.gz FOJMKDVMANUOAD-UHFFFAOYSA-N 0 1 283.362 3.984 20 0 CHADMN Cc1ccc2cc(CN3CCCC3)c(Cl)nc2c1 ZINC001138858428 1131556061 /nfs/dbraw/zinc/55/60/61/1131556061.db2.gz GKQGLVFITQYPPH-UHFFFAOYSA-N 0 1 260.768 3.792 20 0 CHADMN CCOc1ccc(F)c(CN2CCC[C@@H](CC)C2)c1F ZINC001143942146 1131556840 /nfs/dbraw/zinc/55/68/40/1131556840.db2.gz HPSPSTVTWXCYFA-GFCCVEGCSA-N 0 1 283.362 3.986 20 0 CHADMN CCOc1ccc(F)c(CN2CC[C@@H]3CCC[C@@H]3C2)c1F ZINC001143931217 1131557582 /nfs/dbraw/zinc/55/75/82/1131557582.db2.gz RDCBPJRFQMPKSQ-QWHCGFSZSA-N 0 1 295.373 3.986 20 0 CHADMN CCOc1ccc(F)c(CN2CC[C@@H]3CCC[C@H]3C2)c1F ZINC001143931218 1131558444 /nfs/dbraw/zinc/55/84/44/1131558444.db2.gz RDCBPJRFQMPKSQ-STQMWFEESA-N 0 1 295.373 3.986 20 0 CHADMN CCN(Cc1ccc2c(c1)c1ccccc1n2C)C1COC1 ZINC001138918515 1131560162 /nfs/dbraw/zinc/56/01/62/1131560162.db2.gz GNQVFTYKGMUBIV-UHFFFAOYSA-N 0 1 294.398 3.552 20 0 CHADMN COc1ccc(F)c(CN2CCC[C@@H](C)[C@H](C)C2)c1F ZINC001143970049 1131561155 /nfs/dbraw/zinc/56/11/55/1131561155.db2.gz FTZNZRDMPDUBAO-VXGBXAGGSA-N 0 1 283.362 3.841 20 0 CHADMN FC(F)[C@H]1CCC[N@@H+](Cc2c3cc[nH]c3ncc2Cl)C1 ZINC001138950807 1131563120 /nfs/dbraw/zinc/56/31/20/1131563120.db2.gz FGYJCFUNOUAXHN-VIFPVBQESA-N 0 1 299.752 3.645 20 0 CHADMN FC(F)[C@H]1CCCN(Cc2c3cc[nH]c3ncc2Cl)C1 ZINC001138950807 1131563126 /nfs/dbraw/zinc/56/31/26/1131563126.db2.gz FGYJCFUNOUAXHN-VIFPVBQESA-N 0 1 299.752 3.645 20 0 CHADMN FC1(F)C[C@@]12CCCN(Cc1ccn(C3CCCC3)n1)C2 ZINC000844440892 1131565283 /nfs/dbraw/zinc/56/52/83/1131565283.db2.gz VCXCGIGVNJHYNP-OAHLLOKOSA-N 0 1 295.377 3.619 20 0 CHADMN CCOc1ccc(CN(C)C2CC(F)(F)C2)cc1OCC ZINC001138970852 1131567300 /nfs/dbraw/zinc/56/73/00/1131567300.db2.gz LYHOFXANCFBYTR-UHFFFAOYSA-N 0 1 299.361 3.714 20 0 CHADMN CCCOc1ccccc1CN1CCCC[C@H](F)C1 ZINC001138995450 1131569941 /nfs/dbraw/zinc/56/99/41/1131569941.db2.gz LFNJMNSYRMQWFM-HNNXBMFYSA-N 0 1 265.372 3.799 20 0 CHADMN CCCOc1ccccc1CN(CC)Cc1ccncc1 ZINC001139000189 1131570295 /nfs/dbraw/zinc/57/02/95/1131570295.db2.gz OCBXELSWCMZOCW-UHFFFAOYSA-N 0 1 284.403 3.893 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CCC[C@H]1C ZINC001139005612 1131571272 /nfs/dbraw/zinc/57/12/72/1131571272.db2.gz GGUWOGFTNWSDST-LLVKDONJSA-N 0 1 253.773 3.723 20 0 CHADMN C[C@@H](CC(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1)CC(C)(C)C ZINC001144024329 1131573746 /nfs/dbraw/zinc/57/37/46/1131573746.db2.gz JUQMLHWEJSKFKO-LSDHHAIUSA-N 0 1 296.499 3.638 20 0 CHADMN C[C@@H](CC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1)CC(C)(C)C ZINC001144024329 1131573750 /nfs/dbraw/zinc/57/37/50/1131573750.db2.gz JUQMLHWEJSKFKO-LSDHHAIUSA-N 0 1 296.499 3.638 20 0 CHADMN CCOc1c(F)cc(C[N@H+]2CCC[C@@H](C)CC2)cc1F ZINC001144023405 1131573852 /nfs/dbraw/zinc/57/38/52/1131573852.db2.gz UKVOTVDYOYZCRO-GFCCVEGCSA-N 0 1 283.362 3.986 20 0 CHADMN CCOc1c(F)cc(CN2CCC[C@@H](C)CC2)cc1F ZINC001144023405 1131573855 /nfs/dbraw/zinc/57/38/55/1131573855.db2.gz UKVOTVDYOYZCRO-GFCCVEGCSA-N 0 1 283.362 3.986 20 0 CHADMN CCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C(C)(C)C)C1 ZINC001139049751 1131575444 /nfs/dbraw/zinc/57/54/44/1131575444.db2.gz KHXFRFFVXQYAKR-CVEARBPZSA-N 0 1 294.483 3.536 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC001139071928 1131579469 /nfs/dbraw/zinc/57/94/69/1131579469.db2.gz GMOZXLXNJBWUSJ-OAHLLOKOSA-N 0 1 299.773 3.783 20 0 CHADMN Fc1ccc(-c2cccc(CN3CCCC34COC4)c2)cc1 ZINC001139067955 1131579928 /nfs/dbraw/zinc/57/99/28/1131579928.db2.gz SUQHIFHQOZCOOF-UHFFFAOYSA-N 0 1 297.373 3.858 20 0 CHADMN CC(C)CN(C)Cc1ccc(Br)nc1Cl ZINC001139108151 1131581826 /nfs/dbraw/zinc/58/18/26/1131581826.db2.gz OLQRHNCOARBEQF-UHFFFAOYSA-N 0 1 291.620 3.585 20 0 CHADMN Cc1n[nH]c(C)c1CN1CCC[C@@H]1c1ccccc1F ZINC001139099374 1131582073 /nfs/dbraw/zinc/58/20/73/1131582073.db2.gz XTDFOWJCHNHRJX-MRXNPFEDSA-N 0 1 273.355 3.503 20 0 CHADMN CC[C@H](C)N(C)Cc1ccc(Br)nc1Cl ZINC001139110596 1131582253 /nfs/dbraw/zinc/58/22/53/1131582253.db2.gz UVTYLBIXEXSBJN-QMMMGPOBSA-N 0 1 291.620 3.728 20 0 CHADMN Cc1c(O)cccc1CN1CCCC[C@H]1c1cccnc1 ZINC001144115269 1131585359 /nfs/dbraw/zinc/58/53/59/1131585359.db2.gz DZRJUEAVOSFQBQ-KRWDZBQOSA-N 0 1 282.387 3.823 20 0 CHADMN COc1cc(O)ccc1CN1CC=C(c2ccccc2)CC1 ZINC001139143470 1131585657 /nfs/dbraw/zinc/58/56/57/1131585657.db2.gz SJQVAOUMTBBDKD-UHFFFAOYSA-N 0 1 295.382 3.690 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1cccc(O)c1C ZINC001144117596 1131586036 /nfs/dbraw/zinc/58/60/36/1131586036.db2.gz IONBYGXNISJKEA-AWEZNQCLSA-N 0 1 285.387 3.902 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(O)cc2OC)cc1 ZINC001139143747 1131586109 /nfs/dbraw/zinc/58/61/09/1131586109.db2.gz XDUMUFYLZPYUJX-UHFFFAOYSA-N 0 1 285.387 3.595 20 0 CHADMN Cn1ccc2c1cccc2CN1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001139157946 1131587890 /nfs/dbraw/zinc/58/78/90/1131587890.db2.gz UROKJCQWFVUDFP-FUHWJXTLSA-N 0 1 296.414 3.512 20 0 CHADMN CCc1cc(CN2C[C@@H](C)C[C@H]2CF)cc(CC)c1O ZINC001144139092 1131589689 /nfs/dbraw/zinc/58/96/89/1131589689.db2.gz AVMRIEXHDMGCLW-LRDDRELGSA-N 0 1 279.399 3.697 20 0 CHADMN O=C1CCN(Cc2ccc3cccnc3c2)[C@@H]2CCCC[C@H]12 ZINC001139164828 1131589817 /nfs/dbraw/zinc/58/98/17/1131589817.db2.gz SRWZFJIRWWDILS-FUHWJXTLSA-N 0 1 294.398 3.568 20 0 CHADMN CC[N@@H+](Cc1cccnc1)Cc1ccc2c(ccn2C)c1 ZINC001139190557 1131593351 /nfs/dbraw/zinc/59/33/51/1131593351.db2.gz QKYUQOWYWVKPOX-UHFFFAOYSA-N 0 1 279.387 3.595 20 0 CHADMN Cc1nc2c(s1)CN(Cc1c[nH]c3cccc(C)c13)CC2 ZINC001139195703 1131595093 /nfs/dbraw/zinc/59/50/93/1131595093.db2.gz BFIUIDSKBLIWOC-UHFFFAOYSA-N 0 1 297.427 3.800 20 0 CHADMN Fc1ccc2n[nH]c(CN3CCC[C@@H]4CCCC[C@H]43)c2c1 ZINC001144199651 1131596606 /nfs/dbraw/zinc/59/66/06/1131596606.db2.gz PVAUMFMIAVOPNZ-YVEFUNNKSA-N 0 1 287.382 3.857 20 0 CHADMN Fc1ccc2[nH]nc(CN3CCC[C@@H]4CCCC[C@H]43)c2c1 ZINC001144199651 1131596610 /nfs/dbraw/zinc/59/66/10/1131596610.db2.gz PVAUMFMIAVOPNZ-YVEFUNNKSA-N 0 1 287.382 3.857 20 0 CHADMN c1cc2ccc(C[N@H+]3CCSc4ccccc4C3)nc2[nH]1 ZINC001144187767 1131597237 /nfs/dbraw/zinc/59/72/37/1131597237.db2.gz NPFYRRAEIUMPSP-UHFFFAOYSA-N 0 1 295.411 3.671 20 0 CHADMN c1cc2ccc(CN3CCSc4ccccc4C3)nc2[nH]1 ZINC001144187767 1131597240 /nfs/dbraw/zinc/59/72/40/1131597240.db2.gz NPFYRRAEIUMPSP-UHFFFAOYSA-N 0 1 295.411 3.671 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2ccc3cc[nH]c3n2)cc1C ZINC001144188315 1131597356 /nfs/dbraw/zinc/59/73/56/1131597356.db2.gz VYYSFJRFUHAWKC-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN CCC(C)(C)N1CCN(C(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001144205536 1131599350 /nfs/dbraw/zinc/59/93/50/1131599350.db2.gz YJMZYDIRZMKVCX-UHFFFAOYSA-N 0 1 296.499 3.782 20 0 CHADMN Clc1ccccc1C1(NCc2ccc3[nH]cnc3c2)CC1 ZINC001202921293 1131601559 /nfs/dbraw/zinc/60/15/59/1131601559.db2.gz HCLTWYUDVHDOHY-UHFFFAOYSA-N 0 1 297.789 3.995 20 0 CHADMN Clc1ccccc1C1(NCc2ccc3nc[nH]c3c2)CC1 ZINC001202921293 1131601562 /nfs/dbraw/zinc/60/15/62/1131601562.db2.gz HCLTWYUDVHDOHY-UHFFFAOYSA-N 0 1 297.789 3.995 20 0 CHADMN F[C@H]1CCCN(Cc2sccc2Br)CC1 ZINC001139309073 1131601627 /nfs/dbraw/zinc/60/16/27/1131601627.db2.gz DWFHVGOICCMFFB-VIFPVBQESA-N 0 1 292.217 3.835 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc(-n2cccc2)cc1 ZINC001144239296 1131604453 /nfs/dbraw/zinc/60/44/53/1131604453.db2.gz WGFUGNMTXCUQEM-UHFFFAOYSA-N 0 1 277.371 3.504 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@H](C)c2ccc(Cl)cc2)n1 ZINC000844906473 1131607440 /nfs/dbraw/zinc/60/74/40/1131607440.db2.gz OTXHPSJVHOWEFH-BXKDBHETSA-N 0 1 279.771 3.531 20 0 CHADMN CN(Cc1ccc(=O)[nH]c1)Cc1cc(Cl)cc(Cl)c1 ZINC001139470288 1131609356 /nfs/dbraw/zinc/60/93/56/1131609356.db2.gz PUEWXVXTVUTEFJ-UHFFFAOYSA-N 0 1 297.185 3.726 20 0 CHADMN O=c1ccc(CN2CCCC[C@@H]2c2ccccc2F)c[nH]1 ZINC001139468459 1131609913 /nfs/dbraw/zinc/60/99/13/1131609913.db2.gz BXDWKAUFXAAWCP-MRXNPFEDSA-N 0 1 286.350 3.654 20 0 CHADMN Cc1cc(CN2CCC23CCCCC3)cnc1Cl ZINC001139542288 1131614304 /nfs/dbraw/zinc/61/43/04/1131614304.db2.gz BDMRVXIBKFYDFD-UHFFFAOYSA-N 0 1 264.800 3.952 20 0 CHADMN Cc1cc(CN2CCCC3(CCC3)C2)cnc1Cl ZINC001139547312 1131615573 /nfs/dbraw/zinc/61/55/73/1131615573.db2.gz GDRJYVSABLDBTA-UHFFFAOYSA-N 0 1 264.800 3.810 20 0 CHADMN Clc1ccnc(CN2CCCC3(CCC3)C2)c1 ZINC001139565274 1131616359 /nfs/dbraw/zinc/61/63/59/1131616359.db2.gz SROXFTNDEJGSEV-UHFFFAOYSA-N 0 1 250.773 3.501 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cc(Cl)ccn2)cc1 ZINC001139565532 1131616607 /nfs/dbraw/zinc/61/66/07/1131616607.db2.gz CLTWPUCSPGFSBS-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN Cc1cnc(Cl)c(CN(C)CC2CC(F)(F)C2)c1 ZINC001139591015 1131618170 /nfs/dbraw/zinc/61/81/70/1131618170.db2.gz LCTUKWJLBAPLCD-UHFFFAOYSA-N 0 1 274.742 3.521 20 0 CHADMN O=C(C=CC1CCCCCC1)NCc1nc2ccccc2[nH]1 ZINC000845108346 1131618253 /nfs/dbraw/zinc/61/82/53/1131618253.db2.gz SJTWPBJDUMMXRN-QXMHVHEDSA-N 0 1 297.402 3.706 20 0 CHADMN Cc1cnc(Cl)c(CN2CC[C@@H](C)C[C@H]2C)c1 ZINC001139591223 1131618376 /nfs/dbraw/zinc/61/83/76/1131618376.db2.gz PJIYUUCYFZLFEX-ZYHUDNBSSA-N 0 1 252.789 3.664 20 0 CHADMN CCc1cccc(C[N@@H+](C)Cc2cccc(C(=O)OC)c2)c1 ZINC001144326705 1131618771 /nfs/dbraw/zinc/61/87/71/1131618771.db2.gz OHKSNZNUASNKKP-UHFFFAOYSA-N 0 1 297.398 3.668 20 0 CHADMN CCOC(=O)c1[nH]ccc1CN1CCC[C@@H]1c1ccccc1 ZINC001144333784 1131618786 /nfs/dbraw/zinc/61/87/86/1131618786.db2.gz JWZPLYKXVNAHBR-MRXNPFEDSA-N 0 1 298.386 3.529 20 0 CHADMN C[C@@H]1CCCCN1Cc1ccc(O)cc1C(F)(F)F ZINC001144378006 1131621097 /nfs/dbraw/zinc/62/10/97/1131621097.db2.gz OMIWOBUAYNRIFT-SNVBAGLBSA-N 0 1 273.298 3.785 20 0 CHADMN C[C@H]1CCCCN1Cc1ccc(O)cc1C(F)(F)F ZINC001144378005 1131621380 /nfs/dbraw/zinc/62/13/80/1131621380.db2.gz OMIWOBUAYNRIFT-JTQLQIEISA-N 0 1 273.298 3.785 20 0 CHADMN CCOc1ccc(C)cc1CN1CCCCC12CC2 ZINC001139607465 1131621817 /nfs/dbraw/zinc/62/18/17/1131621817.db2.gz RHQXRLYNKJFPTO-UHFFFAOYSA-N 0 1 259.393 3.912 20 0 CHADMN COc1cc(CN(C)Cc2cccnc2C)ccc1Cl ZINC001139615314 1131622167 /nfs/dbraw/zinc/62/21/67/1131622167.db2.gz CZSXXXIXILHSJZ-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN COc1ccc(CN2C[C@@H](C)[C@@H](F)C2)cc1C(C)C ZINC001139616728 1131622743 /nfs/dbraw/zinc/62/27/43/1131622743.db2.gz PPVYXYQRTWDBSA-DOMZBBRYSA-N 0 1 265.372 3.608 20 0 CHADMN Oc1ccc(CN2CC3CCC2CC3)c(C(F)(F)F)c1 ZINC001144391634 1131623215 /nfs/dbraw/zinc/62/32/15/1131623215.db2.gz SSHWECPMAMGCLH-UHFFFAOYSA-N 0 1 285.309 3.785 20 0 CHADMN CCOc1ccncc1CN1CCC[C@@H]1c1cccs1 ZINC001139628917 1131624872 /nfs/dbraw/zinc/62/48/72/1131624872.db2.gz FATYDDPNUNRXBD-CQSZACIVSA-N 0 1 288.416 3.879 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(-c3cccnc3)cc2)C[C@H]1F ZINC001139639763 1131625607 /nfs/dbraw/zinc/62/56/07/1131625607.db2.gz JEBLIQQSNXZDJZ-RDTXWAMCSA-N 0 1 284.378 3.929 20 0 CHADMN Cc1cc(O)cc(C)c1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC001139714886 1131631252 /nfs/dbraw/zinc/63/12/52/1131631252.db2.gz PFLMRSMNDHBXGJ-GOSISDBHSA-N 0 1 267.372 3.956 20 0 CHADMN Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@H]1c1nccs1 ZINC001139714512 1131631515 /nfs/dbraw/zinc/63/15/15/1131631515.db2.gz DCRHQLAHOIEPFX-HNNXBMFYSA-N 0 1 288.416 3.803 20 0 CHADMN Cc1cc(O)cc(C)c1CN1CCC[C@H]1c1nccs1 ZINC001139714512 1131631518 /nfs/dbraw/zinc/63/15/18/1131631518.db2.gz DCRHQLAHOIEPFX-HNNXBMFYSA-N 0 1 288.416 3.803 20 0 CHADMN COc1ncc(Cl)cc1CN1CCC2(C1)CCCCC2 ZINC001139751293 1131634729 /nfs/dbraw/zinc/63/47/29/1131634729.db2.gz JCMWTZFMUDNHND-UHFFFAOYSA-N 0 1 294.826 3.900 20 0 CHADMN Cc1ccc(CN2CCC[C@H](Sc3ccncc3)C2)nc1 ZINC001139838824 1131639748 /nfs/dbraw/zinc/63/97/48/1131639748.db2.gz SVQSWRQVERJTEN-KRWDZBQOSA-N 0 1 299.443 3.542 20 0 CHADMN Cc1ccc(CN2CCC(Sc3ccncc3)CC2)nc1 ZINC001139840068 1131640999 /nfs/dbraw/zinc/64/09/99/1131640999.db2.gz BACMZITWDQESOX-UHFFFAOYSA-N 0 1 299.443 3.542 20 0 CHADMN c1ccc2c(c1)sc1c2cccc1CN1CCOCC1 ZINC001139843378 1131641307 /nfs/dbraw/zinc/64/13/07/1131641307.db2.gz UODDCPTUKWOFLJ-UHFFFAOYSA-N 0 1 283.396 3.887 20 0 CHADMN C[C@@H]1COCCN1Cc1cccc2c3ccccc3oc21 ZINC001139855192 1131641611 /nfs/dbraw/zinc/64/16/11/1131641611.db2.gz IPXZRUYXEYYQAD-CYBMUJFWSA-N 0 1 281.355 3.807 20 0 CHADMN CN(Cc1cc2ccccc2n1C)Cc1ccc(F)cc1 ZINC001139868743 1131642222 /nfs/dbraw/zinc/64/22/22/1131642222.db2.gz XLMRCNNLWSAAGE-UHFFFAOYSA-N 0 1 282.362 3.949 20 0 CHADMN c1ccc(C2CC2)c(C[N@H+]2CCc3cnccc3C2)c1 ZINC001139880131 1131645201 /nfs/dbraw/zinc/64/52/01/1131645201.db2.gz ZNPKAPXMQVHGFR-UHFFFAOYSA-N 0 1 264.372 3.517 20 0 CHADMN c1ccc(C2CC2)c(CN2CCc3cnccc3C2)c1 ZINC001139880131 1131645206 /nfs/dbraw/zinc/64/52/06/1131645206.db2.gz ZNPKAPXMQVHGFR-UHFFFAOYSA-N 0 1 264.372 3.517 20 0 CHADMN c1cc2c(s1)CN(Cc1cncc3ccccc31)CC2 ZINC001139895154 1131649149 /nfs/dbraw/zinc/64/91/49/1131649149.db2.gz OXSLPWAZDPDDAF-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN Cc1ccc(O[C@@H]2CCCN(Cc3ccc(C)nc3)C2)cc1 ZINC001139931960 1131650462 /nfs/dbraw/zinc/65/04/62/1131650462.db2.gz YUXLKANFCOXEEV-LJQANCHMSA-N 0 1 296.414 3.742 20 0 CHADMN CCC[N@H+](Cc1c(F)cc([O-])cc1F)[C@H](C)CC ZINC001144541953 1131653916 /nfs/dbraw/zinc/65/39/16/1131653916.db2.gz MWEOWLRMBAZSIM-SNVBAGLBSA-N 0 1 257.324 3.681 20 0 CHADMN CCC[N@@H+](Cc1c(F)cc([O-])cc1F)[C@H](C)CC ZINC001144541953 1131653917 /nfs/dbraw/zinc/65/39/17/1131653917.db2.gz MWEOWLRMBAZSIM-SNVBAGLBSA-N 0 1 257.324 3.681 20 0 CHADMN c1ccc(CCCC2CCN(Cc3cccnn3)CC2)cc1 ZINC001139970282 1131653976 /nfs/dbraw/zinc/65/39/76/1131653976.db2.gz RAXSISDKVROOIG-UHFFFAOYSA-N 0 1 295.430 3.712 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCC[C@@]2(CC2(F)F)C1 ZINC000845741837 1131654350 /nfs/dbraw/zinc/65/43/50/1131654350.db2.gz HLEWPPRZPYCVBQ-OAHLLOKOSA-N 0 1 292.304 4.000 20 0 CHADMN Cc1nccc(N2CCC[C@]3(CC3(F)F)C2)c1Cl ZINC000845742403 1131654540 /nfs/dbraw/zinc/65/45/40/1131654540.db2.gz KRWARWUHKNKPRM-LBPRGKRZSA-N 0 1 272.726 3.669 20 0 CHADMN [O-]c1cc(F)c(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c(F)c1 ZINC001144554873 1131655649 /nfs/dbraw/zinc/65/56/49/1131655649.db2.gz KMWLZUMLDMGYPV-BDJLRTHQSA-N 0 1 281.346 3.825 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c(F)c1 ZINC001144554873 1131655655 /nfs/dbraw/zinc/65/56/55/1131655655.db2.gz KMWLZUMLDMGYPV-BDJLRTHQSA-N 0 1 281.346 3.825 20 0 CHADMN CCCN(CCC)Cc1cc(Br)cnc1F ZINC001140003260 1131656227 /nfs/dbraw/zinc/65/62/27/1131656227.db2.gz PMNMMUPSWZRTLL-UHFFFAOYSA-N 0 1 289.192 3.605 20 0 CHADMN CSc1nccc(CN2CCC[C@@H]2c2ccccc2C)n1 ZINC001140034709 1131658904 /nfs/dbraw/zinc/65/89/04/1131658904.db2.gz SDWNMKUJKPNFDS-MRXNPFEDSA-N 0 1 299.443 3.844 20 0 CHADMN C[N@@H+](CCCc1ccccc1)Cc1cc(O)ccc1F ZINC001140048508 1131658933 /nfs/dbraw/zinc/65/89/33/1131658933.db2.gz IEJIYBGTQMISCN-UHFFFAOYSA-N 0 1 273.351 3.596 20 0 CHADMN CN(CCCc1ccccc1)Cc1cc(O)ccc1F ZINC001140048508 1131658935 /nfs/dbraw/zinc/65/89/35/1131658935.db2.gz IEJIYBGTQMISCN-UHFFFAOYSA-N 0 1 273.351 3.596 20 0 CHADMN COc1c(Cl)cccc1C[N@H+]1CCC[C@H](C)C1 ZINC001140056021 1131659646 /nfs/dbraw/zinc/65/96/46/1131659646.db2.gz DWGNKVFCCLMFPH-NSHDSACASA-N 0 1 253.773 3.581 20 0 CHADMN COc1c(Cl)cccc1CN1CCC[C@H](C)C1 ZINC001140056021 1131659649 /nfs/dbraw/zinc/65/96/49/1131659649.db2.gz DWGNKVFCCLMFPH-NSHDSACASA-N 0 1 253.773 3.581 20 0 CHADMN COc1c(Cl)cccc1C[N@H+]1CCCC(F)(F)CC1 ZINC001140056039 1131659656 /nfs/dbraw/zinc/65/96/56/1131659656.db2.gz FJZZDHRYOBREMQ-UHFFFAOYSA-N 0 1 289.753 3.970 20 0 CHADMN COc1c(Cl)cccc1CN1CCCC(F)(F)CC1 ZINC001140056039 1131659660 /nfs/dbraw/zinc/65/96/60/1131659660.db2.gz FJZZDHRYOBREMQ-UHFFFAOYSA-N 0 1 289.753 3.970 20 0 CHADMN COc1c(Cl)cccc1CN1CCC(C)(F)CC1 ZINC001140056577 1131660047 /nfs/dbraw/zinc/66/00/47/1131660047.db2.gz CKZNNEBWMMLNDX-UHFFFAOYSA-N 0 1 271.763 3.673 20 0 CHADMN COc1ccc2n[nH]c(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)c2c1 ZINC001140069054 1131661537 /nfs/dbraw/zinc/66/15/37/1131661537.db2.gz HTLDQQBWQVOZMN-UGSOOPFHSA-N 0 1 299.418 3.726 20 0 CHADMN COc1ccc2n[nH]c(CN3CCC[C@@H]4CCCC[C@@H]43)c2c1 ZINC001140069054 1131661541 /nfs/dbraw/zinc/66/15/41/1131661541.db2.gz HTLDQQBWQVOZMN-UGSOOPFHSA-N 0 1 299.418 3.726 20 0 CHADMN COc1ccc2[nH]nc(CN3CCC[C@@H]4CCCC[C@@H]43)c2c1 ZINC001140069054 1131661545 /nfs/dbraw/zinc/66/15/45/1131661545.db2.gz HTLDQQBWQVOZMN-UGSOOPFHSA-N 0 1 299.418 3.726 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(O)cc2F)cc1 ZINC001140127917 1131665593 /nfs/dbraw/zinc/66/55/93/1131665593.db2.gz BSKSDIZFJWBEAG-UHFFFAOYSA-N 0 1 273.351 3.726 20 0 CHADMN CCC[C@H]1CC[C@H](C(=O)N2CCN(C(C)(C)C)CC2)CC1 ZINC001144639191 1131670246 /nfs/dbraw/zinc/67/02/46/1131670246.db2.gz AHODHJOHGLDWNQ-WKILWMFISA-N 0 1 294.483 3.536 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1cc(C)c(O)cc1C)C2 ZINC001140198153 1131675258 /nfs/dbraw/zinc/67/52/58/1131675258.db2.gz ZWALXTORSRSCJF-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN Cc1cc(CN(C)Cc2ccccc2F)c(C)cc1O ZINC001140200098 1131675985 /nfs/dbraw/zinc/67/59/85/1131675985.db2.gz NZDREOMAHWEODL-UHFFFAOYSA-N 0 1 273.351 3.780 20 0 CHADMN CCCC[N@@H+](CCC)Cc1cc(F)c([O-])cc1F ZINC001144666083 1131676712 /nfs/dbraw/zinc/67/67/12/1131676712.db2.gz FUPQMFQDFLBMBM-UHFFFAOYSA-N 0 1 257.324 3.683 20 0 CHADMN Cc1cc(CN2CCC23CCCC3)cnc1Cl ZINC000845999079 1131677296 /nfs/dbraw/zinc/67/72/96/1131677296.db2.gz GVFLMOUDNIOMHC-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN C[C@H]1c2ccccc2CC[N@@H+]1Cc1sccc1C(=O)[O-] ZINC001144665724 1131677329 /nfs/dbraw/zinc/67/73/29/1131677329.db2.gz SXSSZZJBYYATHJ-NSHDSACASA-N 0 1 287.384 3.566 20 0 CHADMN CC[C@@H](OCCNCc1nc(C)cs1)c1ccccc1 ZINC000846020663 1131678033 /nfs/dbraw/zinc/67/80/33/1131678033.db2.gz MUYNFPQIMRRTGJ-OAHLLOKOSA-N 0 1 290.432 3.709 20 0 CHADMN Cn1c(Cl)nc(Cl)c1CN[C@@H]1C[C@H]1CC(C)(C)C ZINC000846025864 1131679111 /nfs/dbraw/zinc/67/91/11/1131679111.db2.gz NTNAWHUBSSHBKL-DTWKUNHWSA-N 0 1 290.238 3.641 20 0 CHADMN CC[N@@H+](Cc1sccc1C(=O)[O-])Cc1ccccc1F ZINC001144677437 1131680007 /nfs/dbraw/zinc/68/00/07/1131680007.db2.gz QFKQIHDSJZWVHU-UHFFFAOYSA-N 0 1 293.363 3.608 20 0 CHADMN F[C@H]1C[N@@H+](Cc2cccc3cc[nH]c32)CCCC1(F)F ZINC001144709842 1131691351 /nfs/dbraw/zinc/69/13/51/1131691351.db2.gz JDFPIEWPKMYCAZ-ZDUSSCGKSA-N 0 1 282.309 3.737 20 0 CHADMN F[C@H]1CN(Cc2cccc3cc[nH]c32)CCCC1(F)F ZINC001144709842 1131691353 /nfs/dbraw/zinc/69/13/53/1131691353.db2.gz JDFPIEWPKMYCAZ-ZDUSSCGKSA-N 0 1 282.309 3.737 20 0 CHADMN FC1(F)CCN(Cc2ccc3scnc3c2)CC1 ZINC001144732912 1131696503 /nfs/dbraw/zinc/69/65/03/1131696503.db2.gz QRMBFCHGDQVPSY-UHFFFAOYSA-N 0 1 268.332 3.527 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2[nH]nc3ccc(C)cc32)no1 ZINC001140327947 1131698129 /nfs/dbraw/zinc/69/81/29/1131698129.db2.gz NFCWVSXKUUBARF-KRWDZBQOSA-N 0 1 296.374 3.505 20 0 CHADMN Cc1ccc2n[nH]c(CN3Cc4cccc(F)c4C3)c2c1 ZINC001140330057 1131698826 /nfs/dbraw/zinc/69/88/26/1131698826.db2.gz KLJJYVICJFCMBR-UHFFFAOYSA-N 0 1 281.334 3.526 20 0 CHADMN Cc1ncccc1CN(C)Cc1ccc2scnc2c1 ZINC001144744501 1131700160 /nfs/dbraw/zinc/70/01/60/1131700160.db2.gz XNKUPSIVQSTMID-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN Cc1ccc2[nH]nc(CN3CCC[C@@H]3c3ccncc3)c2c1 ZINC001140331186 1131700260 /nfs/dbraw/zinc/70/02/60/1131700260.db2.gz ZGQYHFIAUZCPBY-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCC[C@@H]3c3ccncc3)c2c1 ZINC001140331186 1131700265 /nfs/dbraw/zinc/70/02/65/1131700265.db2.gz ZGQYHFIAUZCPBY-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN CCC[N@H+](C/C=C(/C)C(=O)[O-])Cc1c(F)cccc1Cl ZINC000846235368 1131702275 /nfs/dbraw/zinc/70/22/75/1131702275.db2.gz DDTJEQUPLRUMIO-XFFZJAGNSA-N 0 1 299.773 3.722 20 0 CHADMN CCC[N@@H+](C/C=C(/C)C(=O)[O-])Cc1c(F)cccc1Cl ZINC000846235368 1131702280 /nfs/dbraw/zinc/70/22/80/1131702280.db2.gz DDTJEQUPLRUMIO-XFFZJAGNSA-N 0 1 299.773 3.722 20 0 CHADMN O=C([O-])c1cccc(Cl)c1C[N@H+]1CCC2(CCCC2)C1 ZINC000846244677 1131702732 /nfs/dbraw/zinc/70/27/32/1131702732.db2.gz MTJSBYZAKHODAI-UHFFFAOYSA-N 0 1 293.794 3.804 20 0 CHADMN C[N@@H+](Cc1ccsc1C(=O)[O-])C1CCCCCCC1 ZINC000846244714 1131703404 /nfs/dbraw/zinc/70/34/04/1131703404.db2.gz XVJNUGBRDRXEPQ-UHFFFAOYSA-N 0 1 281.421 3.991 20 0 CHADMN CC[C@H](NCc1cccnc1F)c1ccsc1 ZINC000834790588 1131705380 /nfs/dbraw/zinc/70/53/80/1131705380.db2.gz SNLNCHKBERMWDX-LBPRGKRZSA-N 0 1 250.342 3.523 20 0 CHADMN O=C([O-])CC[N@H+](Cc1ccc(C2CCC2)cc1)CC1CC1 ZINC000846268209 1131705522 /nfs/dbraw/zinc/70/55/22/1131705522.db2.gz ZMAHFVCSYUJDPM-UHFFFAOYSA-N 0 1 287.403 3.641 20 0 CHADMN C[C@H]1CCN1Cc1cnc(-c2cccc(F)c2)s1 ZINC001140416493 1131720649 /nfs/dbraw/zinc/72/06/49/1131720649.db2.gz GTHTWQWWNIWCQV-JTQLQIEISA-N 0 1 262.353 3.543 20 0 CHADMN C[C@@H](c1ccccc1)N(C)CC1(Br)CC1 ZINC000846764130 1131725441 /nfs/dbraw/zinc/72/54/41/1131725441.db2.gz DPNZNBHELLBIGP-NSHDSACASA-N 0 1 268.198 3.607 20 0 CHADMN CCCCC[C@@H](CC)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227709653 1131727724 /nfs/dbraw/zinc/72/77/24/1131727724.db2.gz FDMCIFKJBIROLB-GHMZBOCLSA-N 0 1 280.368 3.511 20 0 CHADMN CCC[C@@H]1CCCC[C@@H]1Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227717162 1131728473 /nfs/dbraw/zinc/72/84/73/1131728473.db2.gz XMNGYQKKVNCHRQ-WZRBSPASSA-N 0 1 292.379 3.511 20 0 CHADMN Clc1ccc2ncc(C[N@H+]3CCC34CCCCC4)n2c1 ZINC001140428776 1131734046 /nfs/dbraw/zinc/73/40/46/1131734046.db2.gz HRFRMXVDEPIKNM-UHFFFAOYSA-N 0 1 289.810 3.896 20 0 CHADMN Clc1ccc2ncc(CN3CCC34CCCCC4)n2c1 ZINC001140428776 1131734053 /nfs/dbraw/zinc/73/40/53/1131734053.db2.gz HRFRMXVDEPIKNM-UHFFFAOYSA-N 0 1 289.810 3.896 20 0 CHADMN CN(Cc1c[nH]c2cccc(Cl)c12)Cc1ccccn1 ZINC001140433870 1131734679 /nfs/dbraw/zinc/73/46/79/1131734679.db2.gz SVOVZUWUXPGYSI-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(O)c(Cl)c1 ZINC000042431705 1131735733 /nfs/dbraw/zinc/73/57/33/1131735733.db2.gz GUFVXLYHFMOULS-GXFFZTMASA-N 0 1 281.783 3.744 20 0 CHADMN CC(=O)C1CCN(Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001140436434 1131736854 /nfs/dbraw/zinc/73/68/54/1131736854.db2.gz AUZBEZOBJUSQPH-UHFFFAOYSA-N 0 1 290.794 3.622 20 0 CHADMN CN(Cc1ccccn1)Cc1ccccc1-c1nccs1 ZINC001140449387 1131744000 /nfs/dbraw/zinc/74/40/00/1131744000.db2.gz MQZGJDWGKXPXKF-UHFFFAOYSA-N 0 1 295.411 3.837 20 0 CHADMN Cc1nc([C@H](C)NCCCOc2cccc(C)c2)cs1 ZINC000772954084 1131744594 /nfs/dbraw/zinc/74/45/94/1131744594.db2.gz VXZXVPLCHZBAHZ-ZDUSSCGKSA-N 0 1 290.432 3.880 20 0 CHADMN CCN1CCC[C@@H](Oc2c(C)cccc2Br)C1 ZINC001227808705 1131746708 /nfs/dbraw/zinc/74/67/08/1131746708.db2.gz RCORULXARDSCSV-GFCCVEGCSA-N 0 1 298.224 3.621 20 0 CHADMN C[C@H](NCC1(Br)CC1)c1c(F)cccc1F ZINC000846844448 1131749786 /nfs/dbraw/zinc/74/97/86/1131749786.db2.gz ZXAGVTVAIFHDGD-QMMMGPOBSA-N 0 1 290.151 3.543 20 0 CHADMN C[C@@]12CN(Cc3cnc(Cl)c(F)c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000846949309 1131764459 /nfs/dbraw/zinc/76/44/59/1131764459.db2.gz MEVHTCKGMJHJCN-DVZHBHJUSA-N 0 1 292.785 3.518 20 0 CHADMN C[C@@H]1CCC(C)(C)N1Cc1cnc(Cl)c(F)c1 ZINC000846984480 1131766993 /nfs/dbraw/zinc/76/69/93/1131766993.db2.gz PENUXQXEQKKIMJ-SECBINFHSA-N 0 1 256.752 3.637 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC001140506685 1131772962 /nfs/dbraw/zinc/77/29/62/1131772962.db2.gz ZZLZJSHDKPPTEA-KRWDZBQOSA-N 0 1 296.370 3.507 20 0 CHADMN Cc1c(F)cc(CN2CC[C@@H](C)C2)cc1Br ZINC001140551670 1131789284 /nfs/dbraw/zinc/78/92/84/1131789284.db2.gz GNIXXRKNHFJDRL-SECBINFHSA-N 0 1 286.188 3.738 20 0 CHADMN Cc1cccc(N2CCN(Cc3cc(F)ccc3C)CC2)c1 ZINC001140588563 1131812836 /nfs/dbraw/zinc/81/28/36/1131812836.db2.gz VTEVPZMAJHADDO-UHFFFAOYSA-N 0 1 298.405 3.765 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2cc(Cl)ncc2F)CC1 ZINC001140612745 1131826428 /nfs/dbraw/zinc/82/64/28/1131826428.db2.gz ZEWACQOSNOKGTM-UMSPYCQHSA-N 0 1 270.779 3.885 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc3c2OCCO3)cc1C ZINC000772985292 1131839459 /nfs/dbraw/zinc/83/94/59/1131839459.db2.gz QXFHJUJXVWKMGR-OAHLLOKOSA-N 0 1 297.398 3.925 20 0 CHADMN CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC001148449399 1131856423 /nfs/dbraw/zinc/85/64/23/1131856423.db2.gz QICKOAJTXKWZLI-IRXDYDNUSA-N 0 1 294.483 3.680 20 0 CHADMN COCC[C@@H](N[C@@H](C)c1nc(C)cs1)c1ccccc1 ZINC000348097714 1131878931 /nfs/dbraw/zinc/87/89/31/1131878931.db2.gz QZWWAWHEOHSCAY-DZGCQCFKSA-N 0 1 290.432 3.880 20 0 CHADMN Fc1ccccc1[C@H]1CCCCN1Cc1cc[nH]c1 ZINC001140706142 1131886064 /nfs/dbraw/zinc/88/60/64/1131886064.db2.gz JTTPCALIWCBWNN-MRXNPFEDSA-N 0 1 258.340 3.881 20 0 CHADMN CC[C@@H](C)CC[C@H](C)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507199 1131898774 /nfs/dbraw/zinc/89/87/74/1131898774.db2.gz IQROAOGQPIBYBC-BDAKNGLRSA-N 0 1 282.775 3.600 20 0 CHADMN CC[C@@H](C)CC[C@@H](C)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507202 1131899515 /nfs/dbraw/zinc/89/95/15/1131899515.db2.gz IQROAOGQPIBYBC-RKDXNWHRSA-N 0 1 282.775 3.600 20 0 CHADMN COc1cccc(Cl)c1CN1CCC(SC)CC1 ZINC001140728595 1131900388 /nfs/dbraw/zinc/90/03/88/1131900388.db2.gz GDQYJYSFMIBHLE-UHFFFAOYSA-N 0 1 285.840 3.676 20 0 CHADMN CC[C@H](C)CC[C@@H](C)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507200 1131900555 /nfs/dbraw/zinc/90/05/55/1131900555.db2.gz IQROAOGQPIBYBC-DTWKUNHWSA-N 0 1 282.775 3.600 20 0 CHADMN CC(C)CCCN(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000348187011 1131901635 /nfs/dbraw/zinc/90/16/35/1131901635.db2.gz NXLVJXNSMCBHPU-CQSZACIVSA-N 0 1 297.464 3.519 20 0 CHADMN CO[C@]1(C)CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000348205215 1131905267 /nfs/dbraw/zinc/90/52/67/1131905267.db2.gz JWGYHQPWFJQAGF-CQSZACIVSA-N 0 1 287.325 3.706 20 0 CHADMN C[C@H]1C[C@@H](CF)N([C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171367556 1131916469 /nfs/dbraw/zinc/91/64/69/1131916469.db2.gz XIWOFHHTZTZNNS-BPNCWPANSA-N 0 1 283.337 3.502 20 0 CHADMN CN(Cc1coc2ccccc12)Cc1cnc2ccccn12 ZINC001140782390 1131916712 /nfs/dbraw/zinc/91/67/12/1131916712.db2.gz CJHIVNPYTHSRPT-UHFFFAOYSA-N 0 1 291.354 3.713 20 0 CHADMN CCC1CCN(Cc2cc(O)cc(Cl)c2)CC1 ZINC001140787946 1131919176 /nfs/dbraw/zinc/91/91/76/1131919176.db2.gz VSTCXUQLTUCWSB-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN Cc1ccc(CN2CCC3(C[C@H](F)CO3)CC2)c(Cl)c1 ZINC001140800768 1131924898 /nfs/dbraw/zinc/92/48/98/1131924898.db2.gz RTMKLLZDWGCEPA-AWEZNQCLSA-N 0 1 297.801 3.741 20 0 CHADMN CCC[C@@H](Oc1ccc2[nH]nnc2c1)c1ccccc1 ZINC001228662427 1131930045 /nfs/dbraw/zinc/93/00/45/1131930045.db2.gz HHNXAMBUJVQPDQ-MRXNPFEDSA-N 0 1 267.332 3.878 20 0 CHADMN FC(F)(F)[C@H](Oc1ccc2[nH]nnc2c1)c1ccccc1 ZINC001228662663 1131930375 /nfs/dbraw/zinc/93/03/75/1131930375.db2.gz JVRVIJSUWOIALL-CYBMUJFWSA-N 0 1 293.248 3.640 20 0 CHADMN Clc1cccc2c1CN(Cc1c[nH]c3ccncc13)C2 ZINC001140804706 1131930409 /nfs/dbraw/zinc/93/04/09/1131930409.db2.gz ASZSQKVRSOSROX-UHFFFAOYSA-N 0 1 283.762 3.732 20 0 CHADMN COc1cc(F)c(CN2CCC[C@@H]3CCC[C@@H]32)c(F)c1 ZINC001140827669 1131939132 /nfs/dbraw/zinc/93/91/32/1131939132.db2.gz HJNGVGPJXILUFN-ZBEGNZNMSA-N 0 1 281.346 3.738 20 0 CHADMN C[C@H]1CCC[N@H+](Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140830370 1131940883 /nfs/dbraw/zinc/94/08/83/1131940883.db2.gz VZBCXHOCUYHAEP-VIFPVBQESA-N 0 1 274.191 3.931 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140830370 1131940887 /nfs/dbraw/zinc/94/08/87/1131940887.db2.gz VZBCXHOCUYHAEP-VIFPVBQESA-N 0 1 274.191 3.931 20 0 CHADMN CCC[C@@H](NCc1cccc(F)n1)c1ccc(OC)cc1 ZINC000773088621 1131941031 /nfs/dbraw/zinc/94/10/31/1131941031.db2.gz PQQDSBNFJOMIBW-MRXNPFEDSA-N 0 1 288.366 3.860 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc(F)n2)c(C)c1 ZINC000773086440 1131941852 /nfs/dbraw/zinc/94/18/52/1131941852.db2.gz JAPCWTWUANZSFD-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1cc(C)c([C@@H](C)NCc2cccc(F)n2)cc1C ZINC000773087375 1131941969 /nfs/dbraw/zinc/94/19/69/1131941969.db2.gz KYKSQLSVDHSOFQ-CQSZACIVSA-N 0 1 272.367 3.997 20 0 CHADMN CC1(C)CC[N@H+](Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140834494 1131942265 /nfs/dbraw/zinc/94/22/65/1131942265.db2.gz NINWDDGAOFPCJQ-UHFFFAOYSA-N 0 1 274.191 3.931 20 0 CHADMN CC1(C)CC[N@@H+](Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140834494 1131942268 /nfs/dbraw/zinc/94/22/68/1131942268.db2.gz NINWDDGAOFPCJQ-UHFFFAOYSA-N 0 1 274.191 3.931 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1cc(C)cc(OC)c1 ZINC000773090875 1131943905 /nfs/dbraw/zinc/94/39/05/1131943905.db2.gz GKXYDKVEWJHADW-LBPRGKRZSA-N 0 1 288.391 3.713 20 0 CHADMN Cc1cc(CN2CCC(c3ccc(Cl)cc3)CC2)[nH]n1 ZINC001203070580 1131944049 /nfs/dbraw/zinc/94/40/49/1131944049.db2.gz ZOTNCNYSXPPJEQ-UHFFFAOYSA-N 0 1 289.810 3.751 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@H](C)c1ccc[nH]1 ZINC000773117215 1131948361 /nfs/dbraw/zinc/94/83/61/1131948361.db2.gz LAGFVHKYPMEKEV-QWHCGFSZSA-N 0 1 258.365 3.825 20 0 CHADMN CC(C)[C@@H](NCc1cnn(C)c1Cl)c1ccccc1 ZINC000712401642 1131955766 /nfs/dbraw/zinc/95/57/66/1131955766.db2.gz LMCGJEFADPLNRL-CQSZACIVSA-N 0 1 277.799 3.560 20 0 CHADMN CCC[N@@H+](Cc1ccc([O-])c(F)c1F)[C@@H](C)CC ZINC001140889881 1131957515 /nfs/dbraw/zinc/95/75/15/1131957515.db2.gz OQASHOLETSHQAB-JTQLQIEISA-N 0 1 257.324 3.681 20 0 CHADMN FC(F)(F)c1ccncc1CN1CCC[C@@H]2CCC[C@H]21 ZINC001140919144 1131964029 /nfs/dbraw/zinc/96/40/29/1131964029.db2.gz JXGWCZOELFVPNG-SMDDNHRTSA-N 0 1 284.325 3.865 20 0 CHADMN CCCC[C@@H](C)NCc1ncc(Br)s1 ZINC000713629575 1131966096 /nfs/dbraw/zinc/96/60/96/1131966096.db2.gz CHHRJHSCSYCPQO-MRVPVSSYSA-N 0 1 277.231 3.574 20 0 CHADMN Cc1cc(CN(C)Cc2ccc3ccccc3c2)n[nH]1 ZINC001203080667 1131967121 /nfs/dbraw/zinc/96/71/21/1131967121.db2.gz ASLALMCZMDLYFT-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN Clc1ccc(-n2cccc2CN2CC=CC2)cc1 ZINC001140939168 1131968308 /nfs/dbraw/zinc/96/83/08/1131968308.db2.gz AORNSRHMIDIMFW-UHFFFAOYSA-N 0 1 258.752 3.503 20 0 CHADMN CC(=O)[C@H](N[C@@H]1CCc2c(F)cccc2C1)c1ccccc1 ZINC001171402727 1131969178 /nfs/dbraw/zinc/96/91/78/1131969178.db2.gz VEBWYOKZRPRXOU-APWZRJJASA-N 0 1 297.373 3.603 20 0 CHADMN Cc1ccc(C[N@@H+](C)Cc2c[nH]nc2C(F)(F)F)cc1C ZINC001141018325 1131985246 /nfs/dbraw/zinc/98/52/46/1131985246.db2.gz RMVCTCPLCMKERF-UHFFFAOYSA-N 0 1 297.324 3.677 20 0 CHADMN Cc1ccc(CN(C)Cc2c[nH]nc2C(F)(F)F)cc1C ZINC001141018325 1131985253 /nfs/dbraw/zinc/98/52/53/1131985253.db2.gz RMVCTCPLCMKERF-UHFFFAOYSA-N 0 1 297.324 3.677 20 0 CHADMN c1cc2c3c(cccc3c1)[C@@H](Oc1nnc3c[nH]ccc1-3)C2 ZINC001228995849 1131995898 /nfs/dbraw/zinc/99/58/98/1131995898.db2.gz GQMKMLUKGFODPO-INIZCTEOSA-N 0 1 287.322 3.787 20 0 CHADMN CC[C@H](Oc1nnc2c[nH]ccc1-2)c1ccccc1F ZINC001228994017 1131995930 /nfs/dbraw/zinc/99/59/30/1131995930.db2.gz ATZPJOUEOKNPAX-AWEZNQCLSA-N 0 1 271.295 3.627 20 0 CHADMN Cc1ncoc1CN1CCC(c2ccc(F)cc2F)CC1 ZINC001141057413 1131999743 /nfs/dbraw/zinc/99/97/43/1131999743.db2.gz KXXNGZIJDIIREG-UHFFFAOYSA-N 0 1 292.329 3.641 20 0 CHADMN C[C@@H](N[C@H]1CCc2cc(F)ccc21)c1ccns1 ZINC000715966322 1132000292 /nfs/dbraw/zinc/00/02/92/1132000292.db2.gz NUSBZUIZWVTUKW-RNCFNFMXSA-N 0 1 262.353 3.620 20 0 CHADMN COc1ccc2nc(Cl)c(CN(C)CC3CC3)cc2c1 ZINC001141061997 1132001519 /nfs/dbraw/zinc/00/15/19/1132001519.db2.gz SAHINWOTKOGPEW-UHFFFAOYSA-N 0 1 290.794 3.739 20 0 CHADMN COc1ccc2nc(Cl)c(CN3CCC[C@H]3C)cc2c1 ZINC001141061868 1132001551 /nfs/dbraw/zinc/00/15/51/1132001551.db2.gz MXQZJQJZXHFQJB-LLVKDONJSA-N 0 1 290.794 3.881 20 0 CHADMN CCCCc1ncc(CN2CCC[C@@H]2c2nccs2)[nH]1 ZINC001141072023 1132003604 /nfs/dbraw/zinc/00/36/04/1132003604.db2.gz LUQDGKPQQRMULI-CYBMUJFWSA-N 0 1 290.436 3.546 20 0 CHADMN CCCCc1nc(CN(C)CCc2ccc(F)cc2)c[nH]1 ZINC001141071720 1132004648 /nfs/dbraw/zinc/00/46/48/1132004648.db2.gz BGXNXBXJIZZSJP-UHFFFAOYSA-N 0 1 289.398 3.566 20 0 CHADMN CCCCc1nc(CN(C)CCc2ccccc2F)c[nH]1 ZINC001141073860 1132006099 /nfs/dbraw/zinc/00/60/99/1132006099.db2.gz MWPRRBXDXJCKFJ-UHFFFAOYSA-N 0 1 289.398 3.566 20 0 CHADMN Cc1cccc(CN2C3CCC2CC3)c1Br ZINC001141091957 1132011179 /nfs/dbraw/zinc/01/11/79/1132011179.db2.gz AFLFXOHDAWFKBD-UHFFFAOYSA-N 0 1 280.209 3.884 20 0 CHADMN CC[C@H](CSC)N(C)Cn1cc(-c2ccccc2)cn1 ZINC000773253520 1132013593 /nfs/dbraw/zinc/01/35/93/1132013593.db2.gz BQBDEPDUCBXRSA-MRXNPFEDSA-N 0 1 289.448 3.581 20 0 CHADMN c1nc(CN2CCC[C@@H](CCc3ccccc3)C2)co1 ZINC001141131805 1132025495 /nfs/dbraw/zinc/02/54/95/1132025495.db2.gz LKZOEJHTNJJMQL-INIZCTEOSA-N 0 1 270.376 3.519 20 0 CHADMN CC1(C)CCC[C@H]1[C@@H]1CCN(Cc2ccc(Cl)nn2)C1 ZINC001171459279 1132034549 /nfs/dbraw/zinc/03/45/49/1132034549.db2.gz SPLFSVVZBUEFPG-OCCSQVGLSA-N 0 1 293.842 3.778 20 0 CHADMN Cc1ccc(CN2CC[C@H](Oc3ccccc3)C2)c(F)c1 ZINC001141194912 1132040817 /nfs/dbraw/zinc/04/08/17/1132040817.db2.gz SOWLOQMBKKIPEU-KRWDZBQOSA-N 0 1 285.362 3.787 20 0 CHADMN COc1ccc(C(F)(F)F)cc1CN1CCC2(CC2)C1 ZINC001141202356 1132042042 /nfs/dbraw/zinc/04/20/42/1132042042.db2.gz ZRJRMLRIHKWLOB-UHFFFAOYSA-N 0 1 285.309 3.700 20 0 CHADMN Clc1cc2c(s1)CCN(CCC1CCC1)C2 ZINC001171533284 1132044100 /nfs/dbraw/zinc/04/41/00/1132044100.db2.gz UCHUSNOIPYKYHX-UHFFFAOYSA-N 0 1 255.814 3.950 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2ccc(Cl)cc2C)cn1 ZINC001141233260 1132053416 /nfs/dbraw/zinc/05/34/16/1132053416.db2.gz NPGVEAYZOUZMQX-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(Cl)cc2C)cn1 ZINC001141233260 1132053419 /nfs/dbraw/zinc/05/34/19/1132053419.db2.gz NPGVEAYZOUZMQX-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN COC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(C)c1 ZINC001141233158 1132055022 /nfs/dbraw/zinc/05/50/22/1132055022.db2.gz OQMDTDKKRACHLM-CQSZACIVSA-N 0 1 267.800 3.649 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)ccc1Cl ZINC001141233339 1132055484 /nfs/dbraw/zinc/05/54/84/1132055484.db2.gz QNXALKPYDQKGAQ-GOEBONIOSA-N 0 1 279.811 3.649 20 0 CHADMN Cc1cc(CN2CC[C@@H]3CCCO[C@@H]3C2)ccc1Cl ZINC001141233339 1132055493 /nfs/dbraw/zinc/05/54/93/1132055493.db2.gz QNXALKPYDQKGAQ-GOEBONIOSA-N 0 1 279.811 3.649 20 0 CHADMN Cc1cc(CN(CCO)Cc2cccs2)ccc1Cl ZINC001141238418 1132055975 /nfs/dbraw/zinc/05/59/75/1132055975.db2.gz VELDOWSWXSFIAM-UHFFFAOYSA-N 0 1 295.835 3.704 20 0 CHADMN Clc1ccccc1CN1CCC[C@H](OC2CCC2)C1 ZINC001171631241 1132061060 /nfs/dbraw/zinc/06/10/60/1132061060.db2.gz JQNIICZBXXCHMJ-HNNXBMFYSA-N 0 1 279.811 3.874 20 0 CHADMN CC(=O)CCCCCCC(=O)Nc1ccc(F)c(F)c1O ZINC000837266641 1132061262 /nfs/dbraw/zinc/06/12/62/1132061262.db2.gz UWLGKRXTJCKVES-UHFFFAOYSA-N 0 1 299.317 3.539 20 0 CHADMN FC(F)Cn1ccnc1CN1CCC[C@@H]1CC1CCCC1 ZINC001171632369 1132062436 /nfs/dbraw/zinc/06/24/36/1132062436.db2.gz ZJWCBGRDRTWACL-CQSZACIVSA-N 0 1 297.393 3.693 20 0 CHADMN CCN(Cc1cccc(N(C)C)c1)Cc1ccccc1F ZINC001141268393 1132064129 /nfs/dbraw/zinc/06/41/29/1132064129.db2.gz HVVXATIWUDMWGW-UHFFFAOYSA-N 0 1 286.394 3.914 20 0 CHADMN CC[N@@H+]1CCC[C@@H](Oc2cc([O-])c(Cl)cc2Cl)C1 ZINC001229406007 1132064571 /nfs/dbraw/zinc/06/45/71/1132064571.db2.gz HLQKQWVRKSBBSA-SECBINFHSA-N 0 1 290.190 3.562 20 0 CHADMN CC[N@H+]1CCC[C@@H](Oc2cc([O-])c(Cl)cc2Cl)C1 ZINC001229406007 1132064579 /nfs/dbraw/zinc/06/45/79/1132064579.db2.gz HLQKQWVRKSBBSA-SECBINFHSA-N 0 1 290.190 3.562 20 0 CHADMN C[C@@H](C(=O)Nc1n[nH]c2cc(O)ccc21)[C@H](C)C(C)(C)C ZINC001141302292 1132076521 /nfs/dbraw/zinc/07/65/21/1132076521.db2.gz XNTCGSNSLVVQOR-ZJUUUORDSA-N 0 1 289.379 3.525 20 0 CHADMN Cc1ccc(CC[C@@H](C)N2CCCCC23COC3)cc1 ZINC001171680774 1132078340 /nfs/dbraw/zinc/07/83/40/1132078340.db2.gz RXESPGGYHUEISC-MRXNPFEDSA-N 0 1 273.420 3.571 20 0 CHADMN CCCc1ccc(CN2C[C@@H](C)OCC23CCC3)cc1 ZINC001171730481 1132086242 /nfs/dbraw/zinc/08/62/42/1132086242.db2.gz WBPMBVPJQKKERF-OAHLLOKOSA-N 0 1 273.420 3.783 20 0 CHADMN Cn1c(Br)ccc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001248776195 1132087583 /nfs/dbraw/zinc/08/75/83/1132087583.db2.gz KVJCTMYZNVRPFR-AAEUAGOBSA-N 0 1 297.240 3.552 20 0 CHADMN CC[C@@H]1CN(Cc2cc3ccccc3o2)[C@@H](CC)CO1 ZINC001171778118 1132095572 /nfs/dbraw/zinc/09/55/72/1132095572.db2.gz IQLSDVQNWUSPSH-LSDHHAIUSA-N 0 1 273.376 3.822 20 0 CHADMN O=C([O-])c1cccc(-c2ccc(C[N@H+]3C[C@@H]4C[C@@H]4C3)cc2)c1 ZINC001141350356 1132097343 /nfs/dbraw/zinc/09/73/43/1132097343.db2.gz ACRUWJORFLRSHL-HDICACEKSA-N 0 1 293.366 3.504 20 0 CHADMN Cc1cc([S-])ccc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001229635551 1132098652 /nfs/dbraw/zinc/09/86/52/1132098652.db2.gz ZMEHFBZBLRVULE-INIZCTEOSA-N 0 1 299.439 3.937 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(Br)cnc2C)C1 ZINC001248781680 1132109689 /nfs/dbraw/zinc/10/96/89/1132109689.db2.gz VHQOMLTVXYQPQZ-LBPRGKRZSA-N 0 1 297.240 3.775 20 0 CHADMN COc1ccc2nc(O[C@@H]3CCc4cc(F)ccc43)[nH]c2c1 ZINC001229728354 1132111531 /nfs/dbraw/zinc/11/15/31/1132111531.db2.gz SDDFQNSNGHGCFT-MRXNPFEDSA-N 0 1 298.317 3.777 20 0 CHADMN C[C@H](Cc1ccc(C(F)(F)F)cc1)N1CCOC2(CC2)C1 ZINC001171967702 1132112954 /nfs/dbraw/zinc/11/29/54/1132112954.db2.gz SHAKTANLCVFSJJ-GFCCVEGCSA-N 0 1 299.336 3.501 20 0 CHADMN Oc1ccc2c(c1)[C@@H](NCc1cc3ccccc3o1)CC2 ZINC001203180941 1132119056 /nfs/dbraw/zinc/11/90/56/1132119056.db2.gz JDWADVJEDGUFMI-KRWDZBQOSA-N 0 1 279.339 3.916 20 0 CHADMN CC1(C)C[C@@H](N[C@@H]2C=CC[CH]2)CC[N@H+]1Cc1ccccc1 ZINC001171977669 1132119390 /nfs/dbraw/zinc/11/93/90/1132119390.db2.gz GFZJILGSHXMNMD-MSOLQXFVSA-N 0 1 283.439 3.552 20 0 CHADMN CC1(C)C[C@@H]([NH2+][C@@H]2C=CC[CH]2)CCN1Cc1ccccc1 ZINC001171977669 1132119401 /nfs/dbraw/zinc/11/94/01/1132119401.db2.gz GFZJILGSHXMNMD-MSOLQXFVSA-N 0 1 283.439 3.552 20 0 CHADMN C[C@@H]1CCC[C@@H](Oc2ccc(F)cc2CN(C)C)C1 ZINC001229855152 1132125249 /nfs/dbraw/zinc/12/52/49/1132125249.db2.gz UGHXDXTYVBLZMO-IUODEOHRSA-N 0 1 265.372 3.845 20 0 CHADMN CCC[C@H](CC)Oc1ccc(F)cc1CN(C)C ZINC001229855473 1132125573 /nfs/dbraw/zinc/12/55/73/1132125573.db2.gz XDPPIAHJGCBUHF-AWEZNQCLSA-N 0 1 253.361 3.845 20 0 CHADMN Cc1nc([C@H](C)N[C@H]2CSc3ccccc3C2)cs1 ZINC001172183947 1132135033 /nfs/dbraw/zinc/13/50/33/1132135033.db2.gz IHNPCUFAXXZYMB-GXFFZTMASA-N 0 1 290.457 3.819 20 0 CHADMN Cc1csc([C@H](C)N[C@@H]2CSc3ccccc3C2)n1 ZINC001172182975 1132135832 /nfs/dbraw/zinc/13/58/32/1132135832.db2.gz ASPRJQOXYAOTRC-AAEUAGOBSA-N 0 1 290.457 3.819 20 0 CHADMN Cc1ncc(Nc2c(F)cc(F)c(OC(C)C)c2F)n1C ZINC001212644039 1132138699 /nfs/dbraw/zinc/13/86/99/1132138699.db2.gz MGJVFYSVPSUMFU-UHFFFAOYSA-N 0 1 299.296 3.677 20 0 CHADMN C[C@@H](c1cccs1)N(C)C[C@H]1CC1(Cl)Cl ZINC000838561991 1132141558 /nfs/dbraw/zinc/14/15/58/1132141558.db2.gz RKNDTYKKZUDEQM-DTWKUNHWSA-N 0 1 264.221 3.935 20 0 CHADMN Fc1ccc(CN(C[C@H]2CC2(Cl)Cl)C2CC2)cc1 ZINC000838542053 1132141899 /nfs/dbraw/zinc/14/18/99/1132141899.db2.gz QJHSTPPZZRQTNP-LLVKDONJSA-N 0 1 288.193 3.984 20 0 CHADMN CC(C)CC1CCN(Cc2cnc(C3CC3)nc2)CC1 ZINC000838858667 1132151621 /nfs/dbraw/zinc/15/16/21/1132151621.db2.gz CDOXGXKIZOEYJU-UHFFFAOYSA-N 0 1 273.424 3.612 20 0 CHADMN CC[C@@H](C)OCC[C@@H](C)N(C)Cc1cnc(Cl)s1 ZINC001172339092 1132177101 /nfs/dbraw/zinc/17/71/01/1132177101.db2.gz NUIYSQQBNAIQKP-GHMZBOCLSA-N 0 1 290.860 3.822 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@@H]1CCC(=O)c2ccccc21 ZINC001230224045 1132162222 /nfs/dbraw/zinc/16/22/22/1132162222.db2.gz XXMIXWVRPNSSQR-QGZVFWFLSA-N 0 1 292.338 3.968 20 0 CHADMN [O-]c1cccc(C[NH2+]C23CCC(CC2)C3)c1Br ZINC000839006835 1132165181 /nfs/dbraw/zinc/16/51/81/1132165181.db2.gz CQRCFVKCMIJOIQ-UHFFFAOYSA-N 0 1 296.208 3.577 20 0 CHADMN Cc1cc(F)c(CNC[C@H]2CCC=CO2)c(Cl)c1 ZINC000839032103 1132169115 /nfs/dbraw/zinc/16/91/15/1132169115.db2.gz YQJRRYNAPDIUQH-LLVKDONJSA-N 0 1 269.747 3.570 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)N(C)Cc1cnc(Cl)s1 ZINC000839196579 1132191190 /nfs/dbraw/zinc/19/11/90/1132191190.db2.gz WELLMTHNKUJXHQ-JTQLQIEISA-N 0 1 298.814 3.999 20 0 CHADMN Clc1cc(CN2C[C@@H]3C[C@H]2CS3)c2ccccc2n1 ZINC000839201371 1132191762 /nfs/dbraw/zinc/19/17/62/1132191762.db2.gz JBUYOLQBFVCCSA-RYUDHWBXSA-N 0 1 290.819 3.578 20 0 CHADMN CCOCC[C@H](C)N1CCc2c3ccccc3oc2C1 ZINC001172434082 1132208555 /nfs/dbraw/zinc/20/85/55/1132208555.db2.gz UYLKBUFVCXELTJ-ZDUSSCGKSA-N 0 1 273.376 3.606 20 0 CHADMN C[C@@H]1CC[C@@H](N2Cc3cnc(Cl)cc3C2)C[C@H]1C ZINC001172383479 1132209661 /nfs/dbraw/zinc/20/96/61/1132209661.db2.gz QYIPGYSVVINPPQ-JTNHKYCSSA-N 0 1 264.800 3.875 20 0 CHADMN FC(F)(F)[C@H]1CCN(C/C=C\c2ccccc2)C1 ZINC000839533625 1132222397 /nfs/dbraw/zinc/22/23/97/1132222397.db2.gz LTWPXSGNKCGHLG-IRBQFCFKSA-N 0 1 255.283 3.584 20 0 CHADMN Cc1nc[nH]c1C(=O)Nc1ccc(-c2ccccc2)c(C)c1 ZINC001141722439 1132239173 /nfs/dbraw/zinc/23/91/73/1132239173.db2.gz BHAWCTWCMNAPET-UHFFFAOYSA-N 0 1 291.354 3.946 20 0 CHADMN CC(C)OCC[C@@H](C)N1CCc2cc(F)c(F)cc2C1 ZINC001172461396 1132242490 /nfs/dbraw/zinc/24/24/90/1132242490.db2.gz TVXVLNXMNLMYNK-GFCCVEGCSA-N 0 1 283.362 3.527 20 0 CHADMN C[C@@H]1CN(Cc2ccc3c(c2)Cc2ccccc2-3)C[C@H](C)O1 ZINC001141735171 1132244002 /nfs/dbraw/zinc/24/40/02/1132244002.db2.gz XUVLIXAYIGCHMN-GASCZTMLSA-N 0 1 293.410 3.867 20 0 CHADMN CC(C)CCC[C@@H](C)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047094 1132247870 /nfs/dbraw/zinc/24/78/70/1132247870.db2.gz JWLWFELJKWYAMG-SECBINFHSA-N 0 1 282.775 3.600 20 0 CHADMN CCN(Cc1cc(Br)cc(F)c1F)C(C)C ZINC001141795968 1132248872 /nfs/dbraw/zinc/24/88/72/1132248872.db2.gz ULLSQRARPUQCAM-UHFFFAOYSA-N 0 1 292.167 3.958 20 0 CHADMN Fc1ccc2occ(C[N@H+]3CC[C@H]4CCCO[C@@H]4C3)c2c1 ZINC001141849226 1132256577 /nfs/dbraw/zinc/25/65/77/1132256577.db2.gz XWRXUAHCQMXULQ-SJKOYZFVSA-N 0 1 289.350 3.573 20 0 CHADMN Fc1ccc2occ(CN3CC[C@H]4CCCO[C@@H]4C3)c2c1 ZINC001141849226 1132256581 /nfs/dbraw/zinc/25/65/81/1132256581.db2.gz XWRXUAHCQMXULQ-SJKOYZFVSA-N 0 1 289.350 3.573 20 0 CHADMN CCCOC1CN([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172553290 1132264941 /nfs/dbraw/zinc/26/49/41/1132264941.db2.gz PIQFXECOLADJHA-IAGOWNOFSA-N 0 1 273.420 3.824 20 0 CHADMN Cc1nc[nH]c1-c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC001212668693 1132265800 /nfs/dbraw/zinc/26/58/00/1132265800.db2.gz LHFMHCRGEDCGAE-UHFFFAOYSA-N 0 1 295.129 3.742 20 0 CHADMN Cc1nc([C@@H](C)OC(=O)c2ccc(C3=CCCC3)cc2)n[nH]1 ZINC000840577508 1132266660 /nfs/dbraw/zinc/26/66/60/1132266660.db2.gz ZVYDMBGMKHFRBT-LLVKDONJSA-N 0 1 297.358 3.598 20 0 CHADMN CCCCOC1CN([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172563667 1132270632 /nfs/dbraw/zinc/27/06/32/1132270632.db2.gz MIGMBOBUZYUWQI-IAGOWNOFSA-N 0 1 273.420 3.824 20 0 CHADMN C[C@H](CCc1c(F)cc(Cl)cc1F)N1CCC1 ZINC001172570044 1132272936 /nfs/dbraw/zinc/27/29/36/1132272936.db2.gz HACUVOVDNVRRQV-SECBINFHSA-N 0 1 259.727 3.645 20 0 CHADMN CCC1(c2ccccc2)CN(C[C@H](O)c2cccc(F)c2)C1 ZINC000840770848 1132285800 /nfs/dbraw/zinc/28/58/00/1132285800.db2.gz WWXICCZLQFOKKM-SFHVURJKSA-N 0 1 299.389 3.523 20 0 CHADMN CC[C@H](C)[C@H](NC)c1nc(-c2cc(C)cc(C)c2)no1 ZINC001248930403 1132290548 /nfs/dbraw/zinc/29/05/48/1132290548.db2.gz LJNPFUNSRFZBQO-JSGCOSHPSA-N 0 1 273.380 3.660 20 0 CHADMN Cc1ccc(CN2CC[C@H]3CCCO[C@H]3C2)cc1Cl ZINC001231421769 1132291528 /nfs/dbraw/zinc/29/15/28/1132291528.db2.gz PVRBFUIXSNLNID-ZBFHGGJFSA-N 0 1 279.811 3.649 20 0 CHADMN COc1c(F)ccc(F)c1CN(C)[C@H]1CC[C@H](C)CC1 ZINC001231414032 1132292929 /nfs/dbraw/zinc/29/29/29/1132292929.db2.gz CYVHQIGDHQDOBT-HAQNSBGRSA-N 0 1 283.362 3.984 20 0 CHADMN Cc1n[nH]cc1-c1nc(-c2cccc3ccccc32)no1 ZINC001212677970 1132293040 /nfs/dbraw/zinc/29/30/40/1132293040.db2.gz ZGZLSZVLHNNUMI-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN CC[C@H](C)NC(=S)Nc1ccc(C)cc1SC ZINC000840856721 1132295767 /nfs/dbraw/zinc/29/57/67/1132295767.db2.gz KAYGTDKRLOQWDF-JTQLQIEISA-N 0 1 268.451 3.802 20 0 CHADMN COC(=O)C1(NC2CCC3(CCCC3)CC2)CCCCC1 ZINC001172724301 1132298385 /nfs/dbraw/zinc/29/83/85/1132298385.db2.gz FECYHZQKCXWHIU-UHFFFAOYSA-N 0 1 293.451 3.955 20 0 CHADMN Cc1c(F)ccc(CN2CCC3(CCC3)C2)c1F ZINC001231477603 1132299489 /nfs/dbraw/zinc/29/94/89/1132299489.db2.gz MCLQSHBZVBAHRK-UHFFFAOYSA-N 0 1 251.320 3.649 20 0 CHADMN c1cnc2c(c1)C[N@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172726006 1132299765 /nfs/dbraw/zinc/29/97/65/1132299765.db2.gz AQUCHJYRHZIOBJ-UHFFFAOYSA-N 0 1 256.393 3.900 20 0 CHADMN c1cc2n(c1)CCN(C1CCC3(CCCC3)CC1)C2 ZINC001172729115 1132301442 /nfs/dbraw/zinc/30/14/42/1132301442.db2.gz QBLPFDUNDCXQJU-UHFFFAOYSA-N 0 1 258.409 3.807 20 0 CHADMN CC(C)COc1ccccc1CNc1nccn1C1CC1 ZINC000840886550 1132302490 /nfs/dbraw/zinc/30/24/90/1132302490.db2.gz GSMADJGADVPRNA-UHFFFAOYSA-N 0 1 285.391 3.865 20 0 CHADMN Fc1c(Cl)cccc1CNc1nccn1C1CC1 ZINC000840886380 1132303103 /nfs/dbraw/zinc/30/31/03/1132303103.db2.gz FFZWXMWCXPMWFR-UHFFFAOYSA-N 0 1 265.719 3.623 20 0 CHADMN c1cncc(OC2CN(C3CCC4(CCCC4)CC3)C2)c1 ZINC001172729784 1132304292 /nfs/dbraw/zinc/30/42/92/1132304292.db2.gz KUXRZFFWXUHGSV-UHFFFAOYSA-N 0 1 286.419 3.648 20 0 CHADMN c1cn(C2CC2)c(NCc2ccc3occc3c2)n1 ZINC000840887021 1132304580 /nfs/dbraw/zinc/30/45/80/1132304580.db2.gz SCWMXQVUPFSTMB-UHFFFAOYSA-N 0 1 253.305 3.576 20 0 CHADMN O=C1CCCN(Cc2cccc(-c3ccccc3)c2)CC1 ZINC001231508775 1132307436 /nfs/dbraw/zinc/30/74/36/1132307436.db2.gz OVIXMZAXMOVCEB-UHFFFAOYSA-N 0 1 279.383 3.909 20 0 CHADMN Cc1nc2cc(Nc3cc(C)ccc3N)ccc2[nH]1 ZINC000258714147 1132314676 /nfs/dbraw/zinc/31/46/76/1132314676.db2.gz FNEWOVPWHYYKIY-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN C(c1nc2c(s1)CCCC2)N1CCCC2(CCC2)C1 ZINC001231585641 1132317615 /nfs/dbraw/zinc/31/76/15/1132317615.db2.gz SMTMFBKIWGTOKW-UHFFFAOYSA-N 0 1 276.449 3.788 20 0 CHADMN Cc1ccc(-c2ccc(CN3C[C@H]4CC[C@@H](C3)O4)cc2)o1 ZINC001231596333 1132320908 /nfs/dbraw/zinc/32/09/08/1132320908.db2.gz SBLXSZGZSHEAGS-CALCHBBNSA-N 0 1 283.371 3.618 20 0 CHADMN Cc1ccc(-c2ccc(CN3CCOC(C)(C)C3)cc2)o1 ZINC001231595202 1132322143 /nfs/dbraw/zinc/32/21/43/1132322143.db2.gz QJMLZYNTUZIDCZ-UHFFFAOYSA-N 0 1 285.387 3.866 20 0 CHADMN COc1cc(F)ccc1CN1Cc2ccccc2[C@@H](C)C1 ZINC001231600506 1132322641 /nfs/dbraw/zinc/32/26/41/1132322641.db2.gz OYPZEJYTTNYTEZ-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN Cc1ccc(-c2ccc(CN3CC4(CSC4)C3)cc2)o1 ZINC001231599113 1132323326 /nfs/dbraw/zinc/32/33/26/1132323326.db2.gz DLPTVRVPUDHDRW-UHFFFAOYSA-N 0 1 285.412 3.804 20 0 CHADMN COc1cc(F)ccc1CN1CC[C@H](C)C(F)(F)CC1 ZINC001231600935 1132323745 /nfs/dbraw/zinc/32/37/45/1132323745.db2.gz BSTBWZLBNSAHGF-NSHDSACASA-N 0 1 287.325 3.702 20 0 CHADMN COc1cc(F)ccc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001231605219 1132326649 /nfs/dbraw/zinc/32/66/49/1132326649.db2.gz JKJXYGNKTPEQDK-IUODEOHRSA-N 0 1 263.356 3.599 20 0 CHADMN C[C@H]1CCN(Cc2coc(-c3ccccc3)n2)[C@@H](C)C1 ZINC001231631089 1132330878 /nfs/dbraw/zinc/33/08/78/1132330878.db2.gz NKLDBVRRSOTQCP-KBPBESRZSA-N 0 1 270.376 3.962 20 0 CHADMN COc1cc(C)c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1C(C)C ZINC001231627868 1132331050 /nfs/dbraw/zinc/33/10/50/1132331050.db2.gz NZNJZRZABFTBQT-BHYGNILZSA-N 0 1 291.410 3.917 20 0 CHADMN Cc1sc2ccccc2c1CN1CCCCC12COC2 ZINC001231643380 1132332049 /nfs/dbraw/zinc/33/20/49/1132332049.db2.gz BZHPZTCFBBGHMI-UHFFFAOYSA-N 0 1 287.428 3.965 20 0 CHADMN Cc1ccc2c(c1)C[C@H](N1CCc3ncc(C)cc3C1)CC2 ZINC001172839838 1132332016 /nfs/dbraw/zinc/33/20/16/1132332016.db2.gz VMGVPDIDOHMKJE-LJQANCHMSA-N 0 1 292.426 3.614 20 0 CHADMN CCOc1ccc(CN(CC)Cc2cccs2)cn1 ZINC001231657588 1132335326 /nfs/dbraw/zinc/33/53/26/1132335326.db2.gz OPMAMRQJVXMFSF-UHFFFAOYSA-N 0 1 276.405 3.564 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)N1CCCO[C@H](C)C1 ZINC001172846686 1132335724 /nfs/dbraw/zinc/33/57/24/1132335724.db2.gz HFYCSHVRWWLHTI-VXGBXAGGSA-N 0 1 285.790 3.521 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)N1CC[C@@H]2CCO[C@H]2C1 ZINC001172846400 1132336269 /nfs/dbraw/zinc/33/62/69/1132336269.db2.gz FQMGJUCMSUODJQ-HSMVNMDESA-N 0 1 297.801 3.521 20 0 CHADMN CC(C)(C)OC(=O)c1ccc(CN2CC3(CCC3)C2)cc1 ZINC001142187931 1132338605 /nfs/dbraw/zinc/33/86/05/1132338605.db2.gz MEGNGCDJTKKXCS-UHFFFAOYSA-N 0 1 287.403 3.628 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cc2cc[nH]c2cn1 ZINC001231669068 1132341622 /nfs/dbraw/zinc/34/16/22/1132341622.db2.gz BSLZYKFGLVMFKX-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN CCCCCN(C)Cc1c(Cl)cc(OC)cc1OC ZINC001231693216 1132343461 /nfs/dbraw/zinc/34/34/61/1132343461.db2.gz CUFMZFSMHCAEET-UHFFFAOYSA-N 0 1 285.815 3.979 20 0 CHADMN COc1cc(Cl)c(CN(C)CC2CCCC2)c(OC)c1 ZINC001231699547 1132347305 /nfs/dbraw/zinc/34/73/05/1132347305.db2.gz NXJQJMBJHFLJLZ-UHFFFAOYSA-N 0 1 297.826 3.979 20 0 CHADMN COc1cc(Cl)c(CN(C(C)C)C(C)C)c(OC)c1 ZINC001231694018 1132348046 /nfs/dbraw/zinc/34/80/46/1132348046.db2.gz KTFVKTLTJQPJMQ-UHFFFAOYSA-N 0 1 285.815 3.976 20 0 CHADMN C[N@H+](Cc1ccc(Cl)c(O)c1)CC1CC(F)(F)C1 ZINC001231736269 1132348971 /nfs/dbraw/zinc/34/89/71/1132348971.db2.gz GWCCHHPNZYYZMT-UHFFFAOYSA-N 0 1 275.726 3.523 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)c([O-])c1)CC1CC(F)(F)C1 ZINC001231736269 1132348975 /nfs/dbraw/zinc/34/89/75/1132348975.db2.gz GWCCHHPNZYYZMT-UHFFFAOYSA-N 0 1 275.726 3.523 20 0 CHADMN C[N@H+](Cc1ccc(Cl)c([O-])c1)CC1CC(F)(F)C1 ZINC001231736269 1132348982 /nfs/dbraw/zinc/34/89/82/1132348982.db2.gz GWCCHHPNZYYZMT-UHFFFAOYSA-N 0 1 275.726 3.523 20 0 CHADMN Oc1cc(CN2CCCc3ccccc3C2)ccc1Cl ZINC001231732672 1132349303 /nfs/dbraw/zinc/34/93/03/1132349303.db2.gz ANDHBWXLLIXDCU-UHFFFAOYSA-N 0 1 287.790 3.994 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Cl)c(O)c2)CCC1(F)F ZINC001231733562 1132350747 /nfs/dbraw/zinc/35/07/47/1132350747.db2.gz YROYXYGDKLORMJ-SNVBAGLBSA-N 0 1 289.753 3.913 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(O)c2)[C@H]1C ZINC001231734417 1132350969 /nfs/dbraw/zinc/35/09/69/1132350969.db2.gz YJILAZRQPAISSR-QWRGUYRKSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@H]1CCC[N@H+](Cc2ccc(Cl)c([O-])c2)[C@H]1C ZINC001231734417 1132350976 /nfs/dbraw/zinc/35/09/76/1132350976.db2.gz YJILAZRQPAISSR-QWRGUYRKSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([O-])c2)[C@H]1C ZINC001231734417 1132350984 /nfs/dbraw/zinc/35/09/84/1132350984.db2.gz YJILAZRQPAISSR-QWRGUYRKSA-N 0 1 253.773 3.666 20 0 CHADMN C[N@H+](CCOc1ccccc1)Cc1ccc(Cl)c([O-])c1 ZINC001231738193 1132351766 /nfs/dbraw/zinc/35/17/66/1132351766.db2.gz NNFATCKQGZOWPI-UHFFFAOYSA-N 0 1 291.778 3.556 20 0 CHADMN C[N@@H+](CCOc1ccccc1)Cc1ccc(Cl)c([O-])c1 ZINC001231738193 1132351773 /nfs/dbraw/zinc/35/17/73/1132351773.db2.gz NNFATCKQGZOWPI-UHFFFAOYSA-N 0 1 291.778 3.556 20 0 CHADMN CC(C)(C)c1nc[nH]c1CN1C2CCCC1CCC2 ZINC001142234915 1132352636 /nfs/dbraw/zinc/35/26/36/1132352636.db2.gz KCNGZUWRTKAURF-UHFFFAOYSA-N 0 1 261.413 3.614 20 0 CHADMN CC(C)Oc1ncccc1CN1CCC[C@@](C)(F)CC1 ZINC001231755560 1132353368 /nfs/dbraw/zinc/35/33/68/1132353368.db2.gz ZPZHPVAGEIQFHB-MRXNPFEDSA-N 0 1 280.387 3.583 20 0 CHADMN Cc1cc(CN[C@H](C)CSc2ccc(Cl)cc2)on1 ZINC001172876006 1132354480 /nfs/dbraw/zinc/35/44/80/1132354480.db2.gz UWTYFIWRAXSIEO-LLVKDONJSA-N 0 1 296.823 3.907 20 0 CHADMN C[C@H](CSc1ccc(Cl)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC001172877897 1132356278 /nfs/dbraw/zinc/35/62/78/1132356278.db2.gz RHLXHFDKOIIBAI-BNOWGMLFSA-N 0 1 297.851 3.684 20 0 CHADMN C[C@H](CSc1ccc(Cl)cc1)N1C[C@H]2CC[C@@H]1CO2 ZINC001172885794 1132357535 /nfs/dbraw/zinc/35/75/35/1132357535.db2.gz UUZMSYDTJYUGLJ-MRVWCRGKSA-N 0 1 297.851 3.684 20 0 CHADMN C[C@@H](CSc1ccc(Cl)cc1)N1CCOC2(CC2)C1 ZINC001172884378 1132358200 /nfs/dbraw/zinc/35/82/00/1132358200.db2.gz CALDMZAZCACSNM-LBPRGKRZSA-N 0 1 297.851 3.685 20 0 CHADMN CO[C@H]1CCC[C@H](N(C)Cc2csc(C(C)C)n2)C1 ZINC001172941081 1132367340 /nfs/dbraw/zinc/36/73/40/1132367340.db2.gz DARQYWSQDIVEOP-KBPBESRZSA-N 0 1 282.453 3.656 20 0 CHADMN CO[C@@H]1CCC[C@H](N(CC(=O)c2ccccc2)C(C)C)C1 ZINC001172941238 1132368062 /nfs/dbraw/zinc/36/80/62/1132368062.db2.gz DRIQFQONDQHAQT-DLBZAZTESA-N 0 1 289.419 3.537 20 0 CHADMN CO[C@H]1CCC[C@H](N(CC(=O)c2ccccc2)C(C)C)C1 ZINC001172941243 1132368487 /nfs/dbraw/zinc/36/84/87/1132368487.db2.gz DRIQFQONDQHAQT-IRXDYDNUSA-N 0 1 289.419 3.537 20 0 CHADMN CO[C@@H]1CN(Cc2ccccc2-c2ccccc2C)C[C@@H]1F ZINC001231813131 1132372296 /nfs/dbraw/zinc/37/22/96/1132372296.db2.gz YFHLCQYXPQHKIF-RBUKOAKNSA-N 0 1 299.389 3.831 20 0 CHADMN CN(CCF)Cc1ccccc1-c1ccc(F)cc1 ZINC001231828406 1132374198 /nfs/dbraw/zinc/37/41/98/1132374198.db2.gz YHFJLPRLFNTXNC-UHFFFAOYSA-N 0 1 261.315 3.894 20 0 CHADMN CSc1cc(C)ccc1NC(=O)CN(C)CC(C)(C)C ZINC001142387612 1132380432 /nfs/dbraw/zinc/38/04/32/1132380432.db2.gz YIYGVXLNCBDNQS-UHFFFAOYSA-N 0 1 294.464 3.633 20 0 CHADMN Cc1ccc2ccccc2c1CN1C[C@H]2CC[C@@H]1CO2 ZINC001142387976 1132380901 /nfs/dbraw/zinc/38/09/01/1132380901.db2.gz JMTSUJLRVGLLLQ-HZPDHXFCSA-N 0 1 267.372 3.511 20 0 CHADMN CCOC(=O)[C@@H]1CCCN1Cc1c(C)ccc2ccccc21 ZINC001142384076 1132381837 /nfs/dbraw/zinc/38/18/37/1132381837.db2.gz WQKRPFKWOJMPSU-SFHVURJKSA-N 0 1 297.398 3.676 20 0 CHADMN CC(C)c1ccccc1CN1CCc2ccncc2C1 ZINC001231877557 1132388121 /nfs/dbraw/zinc/38/81/21/1132388121.db2.gz KCQQZNHQXQYAIB-UHFFFAOYSA-N 0 1 266.388 3.763 20 0 CHADMN CCN(c1ccc(NCc2cc(C)nn2C)cc1)C(C)C ZINC000841848751 1132400285 /nfs/dbraw/zinc/40/02/85/1132400285.db2.gz AMDPEFDGAQZNMM-UHFFFAOYSA-N 0 1 286.423 3.575 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cc3ccccc3n2C)o1 ZINC000638284402 1132401937 /nfs/dbraw/zinc/40/19/37/1132401937.db2.gz FYRHWEQPOHUVMD-CYBMUJFWSA-N 0 1 268.360 3.931 20 0 CHADMN Clc1cccnc1CN1CCCC2(CCC2)C1 ZINC001231961077 1132402876 /nfs/dbraw/zinc/40/28/76/1132402876.db2.gz FTKVXGLIDGGHSL-UHFFFAOYSA-N 0 1 250.773 3.501 20 0 CHADMN CC1(C)OCCC12CCN(Cc1ncccc1Cl)CC2 ZINC001231961480 1132403447 /nfs/dbraw/zinc/40/34/47/1132403447.db2.gz PWNKAWNGJVGGEJ-UHFFFAOYSA-N 0 1 294.826 3.516 20 0 CHADMN Clc1cccnc1CN1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001231960461 1132403609 /nfs/dbraw/zinc/40/36/09/1132403609.db2.gz OVWYMKBLITUVCM-BETUJISGSA-N 0 1 284.790 3.822 20 0 CHADMN Fc1ncc(Cl)cc1CN1CCC[C@H]2CCC[C@@H]21 ZINC001231994102 1132406950 /nfs/dbraw/zinc/40/69/50/1132406950.db2.gz BNABFFFTXOCFPN-MFKMUULPSA-N 0 1 268.763 3.639 20 0 CHADMN Fc1c(CN2CCCCC23CC3)ccnc1Br ZINC001232031972 1132412654 /nfs/dbraw/zinc/41/26/54/1132412654.db2.gz XXARVMDANLXPLQ-UHFFFAOYSA-N 0 1 299.187 3.502 20 0 CHADMN CCCCCN(C)Cc1ccnc(Br)c1F ZINC001232030425 1132413488 /nfs/dbraw/zinc/41/34/88/1132413488.db2.gz IIKQDHROPZTTEQ-UHFFFAOYSA-N 0 1 289.192 3.605 20 0 CHADMN Oc1cncc(C[N@@H+](Cc2ccccn2)C2CCCCC2)c1 ZINC001232045046 1132415007 /nfs/dbraw/zinc/41/50/07/1132415007.db2.gz QDJJMLSWYLUCEK-UHFFFAOYSA-N 0 1 297.402 3.517 20 0 CHADMN Oc1cncc(CN(Cc2ccccn2)C2CCCCC2)c1 ZINC001232045046 1132415012 /nfs/dbraw/zinc/41/50/12/1132415012.db2.gz QDJJMLSWYLUCEK-UHFFFAOYSA-N 0 1 297.402 3.517 20 0 CHADMN Cc1cc(Br)cnc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC001232049217 1132415506 /nfs/dbraw/zinc/41/55/06/1132415506.db2.gz UABPPMNXIQVJMD-PWSUYJOCSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1cc(Br)cnc1CN1CCC[C@@H](C)[C@@H]1C ZINC001232049217 1132415510 /nfs/dbraw/zinc/41/55/10/1132415510.db2.gz UABPPMNXIQVJMD-PWSUYJOCSA-N 0 1 297.240 3.773 20 0 CHADMN C[N@@H+](Cc1cncc(O)c1)C1CCC(C(C)(C)C)CC1 ZINC001232044564 1132415594 /nfs/dbraw/zinc/41/55/94/1132415594.db2.gz LTYJOKFMTYNLDN-UHFFFAOYSA-N 0 1 276.424 3.824 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1cccc(C(F)(F)F)n1 ZINC001232067763 1132416233 /nfs/dbraw/zinc/41/62/33/1132416233.db2.gz VLCKETHEHXTGFI-GHMZBOCLSA-N 0 1 272.314 3.863 20 0 CHADMN Cc1cccc2nc(NC(=O)C3(C(C)C)CCC3)[nH]c21 ZINC001142646671 1132416335 /nfs/dbraw/zinc/41/63/35/1132416335.db2.gz YMBZBGLFOYHKBT-UHFFFAOYSA-N 0 1 271.364 3.636 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C(=O)[O-])[C@@H]1C ZINC001142657312 1132417869 /nfs/dbraw/zinc/41/78/69/1132417869.db2.gz VNRMCZKNDZMRBR-GHMZBOCLSA-N 0 1 281.783 3.659 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2cccc(C(F)(F)F)n2)C1 ZINC001232072057 1132418401 /nfs/dbraw/zinc/41/84/01/1132418401.db2.gz YJVDDUMAUMLTMF-PHIMTYICSA-N 0 1 272.314 3.578 20 0 CHADMN CCC(C)(C)c1ccc(CN2C[C@H](F)C[C@@H](CO)C2)cc1 ZINC001232078581 1132418951 /nfs/dbraw/zinc/41/89/51/1132418951.db2.gz AZAXMRNOWCLPON-NVXWUHKLSA-N 0 1 293.426 3.527 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(C(F)(F)F)n2)[C@H](C)C1 ZINC001232071360 1132418962 /nfs/dbraw/zinc/41/89/62/1132418962.db2.gz FRDGAIWTTOGDBT-GHMZBOCLSA-N 0 1 272.314 3.721 20 0 CHADMN CCc1ccc(C[C@H](C)N2Cc3cccnc3C2)cc1 ZINC001173253408 1132422652 /nfs/dbraw/zinc/42/26/52/1132422652.db2.gz TZWYJYAJWZEZHA-AWEZNQCLSA-N 0 1 266.388 3.591 20 0 CHADMN c1c2ccncc2[nH]c1CN1CCC[C@@H]2CCCC[C@H]21 ZINC001232093588 1132422697 /nfs/dbraw/zinc/42/26/97/1132422697.db2.gz FAFLPAWAGQIGRY-SUMWQHHRSA-N 0 1 269.392 3.718 20 0 CHADMN CCCC[C@@H](CC(C)C)N[C@@H]1NC(=O)c2ccccc21 ZINC001173253541 1132422900 /nfs/dbraw/zinc/42/29/00/1132422900.db2.gz PWVZMUJPNDZARG-XJKSGUPXSA-N 0 1 274.408 3.623 20 0 CHADMN Fc1cncc(Br)c1CN1CCCCC12CC2 ZINC001232129542 1132425657 /nfs/dbraw/zinc/42/56/57/1132425657.db2.gz NVSRXLFFYMVJQZ-UHFFFAOYSA-N 0 1 299.187 3.502 20 0 CHADMN COc1ccnc(Cl)c1CN1CCC[C@H]2CCCC[C@H]21 ZINC001232153250 1132427224 /nfs/dbraw/zinc/42/72/24/1132427224.db2.gz JIGYMJWABCDXPR-TZMCWYRMSA-N 0 1 294.826 3.898 20 0 CHADMN COc1ccnc(Cl)c1CN1CCC[C@H]2CCCC[C@@H]21 ZINC001232153249 1132428402 /nfs/dbraw/zinc/42/84/02/1132428402.db2.gz JIGYMJWABCDXPR-OCCSQVGLSA-N 0 1 294.826 3.898 20 0 CHADMN Cc1cnc(CN2C[C@H](C)C[C@@H](C)C2)c(Br)c1 ZINC001232177170 1132431271 /nfs/dbraw/zinc/43/12/71/1132431271.db2.gz LBRHLFYLLIVXJS-VXGBXAGGSA-N 0 1 297.240 3.630 20 0 CHADMN Cc1cnc(CN2CCCCCCC2)c(Br)c1 ZINC001232177200 1132431860 /nfs/dbraw/zinc/43/18/60/1132431860.db2.gz MAEFNMLJKGTNIN-UHFFFAOYSA-N 0 1 297.240 3.919 20 0 CHADMN CCN(Cc1cn(C)nc1C1CC1)Cc1ccc(C)cc1 ZINC001232171900 1132432417 /nfs/dbraw/zinc/43/24/17/1132432417.db2.gz PFWVGJYYLHVPMT-UHFFFAOYSA-N 0 1 283.419 3.628 20 0 CHADMN CC[C@H]1CC[C@@H](n2c3cc(Cl)ccc3nc2CN)C1 ZINC001173266178 1132432850 /nfs/dbraw/zinc/43/28/50/1132432850.db2.gz XYBYPUMFUCOOFW-CMPLNLGQSA-N 0 1 277.799 3.900 20 0 CHADMN Fc1ccc(C[C@@H]2CCC[N@@H+](Cc3ccns3)C2)cc1 ZINC001232192707 1132432894 /nfs/dbraw/zinc/43/28/94/1132432894.db2.gz WXHFBBKNWGKJDD-AWEZNQCLSA-N 0 1 290.407 3.737 20 0 CHADMN c1cc(C[N@H+]2CCCC[C@H]2c2ccccc2)sn1 ZINC001232188672 1132433455 /nfs/dbraw/zinc/43/34/55/1132433455.db2.gz IKONSZFENGZKPJ-HNNXBMFYSA-N 0 1 258.390 3.870 20 0 CHADMN c1cc(CN2CCCC[C@H]2c2ccccc2)sn1 ZINC001232188672 1132433459 /nfs/dbraw/zinc/43/34/59/1132433459.db2.gz IKONSZFENGZKPJ-HNNXBMFYSA-N 0 1 258.390 3.870 20 0 CHADMN Cc1scnc1CN1CCC(C(C)(C)C)CC1 ZINC001232203690 1132434429 /nfs/dbraw/zinc/43/44/29/1132434429.db2.gz FOVCLTKARZBBDQ-UHFFFAOYSA-N 0 1 252.427 3.710 20 0 CHADMN Fc1ccc(C2CCN(Cc3cnsc3)CC2)cc1 ZINC001232228082 1132438723 /nfs/dbraw/zinc/43/87/23/1132438723.db2.gz WQLCPIXJBZTTAB-UHFFFAOYSA-N 0 1 276.380 3.662 20 0 CHADMN FC1(F)CC[C@@H]2CN(Cc3csc(Cl)c3)C[C@@H]21 ZINC001142763250 1132442827 /nfs/dbraw/zinc/44/28/27/1132442827.db2.gz WAKICMLDFXCXPS-ZJUUUORDSA-N 0 1 277.767 3.879 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2ccnc(C(F)(F)F)c2)C1 ZINC001232240713 1132442958 /nfs/dbraw/zinc/44/29/58/1132442958.db2.gz OOJHOZGHGDGDAU-GHMZBOCLSA-N 0 1 272.314 3.578 20 0 CHADMN CCc1ccc(C[C@@H](C)N(C)Cc2cscn2)cc1 ZINC001173242622 1132443175 /nfs/dbraw/zinc/44/31/75/1132443175.db2.gz HCRUAJBHOUNSKX-CYBMUJFWSA-N 0 1 274.433 3.769 20 0 CHADMN CC[C@H]1CCCCN1Cc1ccnc(C(F)(F)F)c1 ZINC001232239908 1132443335 /nfs/dbraw/zinc/44/33/35/1132443335.db2.gz BKUGWIRWGOFSGD-LBPRGKRZSA-N 0 1 272.314 3.865 20 0 CHADMN CC[C@@H]1CCCN(Cc2ccnc(C(F)(F)F)c2)C1 ZINC001232240452 1132443484 /nfs/dbraw/zinc/44/34/84/1132443484.db2.gz IDORNIMHDRJGMV-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN CSC1CCN(Cc2csc(Cl)c2)CC1 ZINC001142771448 1132443634 /nfs/dbraw/zinc/44/36/34/1132443634.db2.gz SZWLITQCZUSRNC-UHFFFAOYSA-N 0 1 261.843 3.729 20 0 CHADMN CCCCC[C@](C)(CC)c1nc(C2(N)CCC2)no1 ZINC000842620567 1132445932 /nfs/dbraw/zinc/44/59/32/1132445932.db2.gz ORHHIVPTAUGSSH-AWEZNQCLSA-N 0 1 265.401 3.656 20 0 CHADMN CCCCCC[C@H](C)c1nc([C@@H]2CCCN2)no1 ZINC000842641725 1132447158 /nfs/dbraw/zinc/44/71/58/1132447158.db2.gz WINOZFJMZOMJCC-RYUDHWBXSA-N 0 1 251.374 3.568 20 0 CHADMN Clc1cccc2cc(-c3nc([C@H]4CCCN4)no3)oc21 ZINC000842642678 1132447494 /nfs/dbraw/zinc/44/74/94/1132447494.db2.gz KBPQTDKHNAEZES-SNVBAGLBSA-N 0 1 289.722 3.561 20 0 CHADMN Fc1cccc2sc(-c3nc([C@@H]4CCCN4)no3)cc21 ZINC000842644885 1132447903 /nfs/dbraw/zinc/44/79/03/1132447903.db2.gz AGCLRMSEEWMANT-JTQLQIEISA-N 0 1 289.335 3.515 20 0 CHADMN CCCCCC[C@@H](C)c1nc([C@H]2CCCN2)no1 ZINC000842641727 1132448192 /nfs/dbraw/zinc/44/81/92/1132448192.db2.gz WINOZFJMZOMJCC-VXGBXAGGSA-N 0 1 251.374 3.568 20 0 CHADMN CCc1sc(CN2CCCC2)cc1Br ZINC001232287994 1132448305 /nfs/dbraw/zinc/44/83/05/1132448305.db2.gz YYQNQSSJRMMVBQ-UHFFFAOYSA-N 0 1 274.227 3.669 20 0 CHADMN Cc1ccnn1C1CCN(Cc2cc(Cl)cs2)CC1 ZINC001232283351 1132448847 /nfs/dbraw/zinc/44/88/47/1132448847.db2.gz XUOMVWIAEWKOAI-UHFFFAOYSA-N 0 1 295.839 3.744 20 0 CHADMN Cc1sc(CN2CCC[C@@H]2C)cc1Br ZINC001232290287 1132450440 /nfs/dbraw/zinc/45/04/40/1132450440.db2.gz SAGPQTRHSNCEBX-QMMMGPOBSA-N 0 1 274.227 3.803 20 0 CHADMN Cc1cc(Br)ncc1CN1CCC[C@@H](C)CC1 ZINC001232313996 1132452046 /nfs/dbraw/zinc/45/20/46/1132452046.db2.gz IGBRMAPRWKUQEU-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN CCOc1ccc(CN2CCc3ccccc3[C@H]2C)c(C)n1 ZINC001232307986 1132452503 /nfs/dbraw/zinc/45/25/03/1132452503.db2.gz LGGSXZBYBRAIDG-OAHLLOKOSA-N 0 1 296.414 3.908 20 0 CHADMN CCSC[C@@H](C)N(CC)Cc1cccc(F)c1F ZINC001173313601 1132452596 /nfs/dbraw/zinc/45/25/96/1132452596.db2.gz DEPUCPRFCWMLFN-LLVKDONJSA-N 0 1 273.392 3.928 20 0 CHADMN CCOc1ccc(CN2CC[C@@H]2c2ccccc2)c(C)n1 ZINC001232310034 1132452594 /nfs/dbraw/zinc/45/25/94/1132452594.db2.gz JRSOBCSYEBYUGS-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN CCOc1ccc(CN2CC3(C2)CCCCC3)c(C)n1 ZINC001232309641 1132453185 /nfs/dbraw/zinc/45/31/85/1132453185.db2.gz BCGGULCKRNLFDD-UHFFFAOYSA-N 0 1 274.408 3.555 20 0 CHADMN Cc1nc(Br)ccc1CN1CCCCC[C@@H]1C ZINC001232323130 1132454011 /nfs/dbraw/zinc/45/40/11/1132454011.db2.gz VNTRBLVVYWHAIE-NSHDSACASA-N 0 1 297.240 3.917 20 0 CHADMN CC[C@H]1CC[C@@H](N2Cc3cnc(Cl)cc3C2)C1 ZINC001173283086 1132454558 /nfs/dbraw/zinc/45/45/58/1132454558.db2.gz JJGCNUCXFYLXEA-GXFFZTMASA-N 0 1 250.773 3.629 20 0 CHADMN CC[C@H]1CC[C@H](N2Cc3cnc(Cl)cc3C2)C1 ZINC001173283080 1132454964 /nfs/dbraw/zinc/45/49/64/1132454964.db2.gz JJGCNUCXFYLXEA-GWCFXTLKSA-N 0 1 250.773 3.629 20 0 CHADMN Fc1cccc(C2(NCc3cnn4ccccc34)CCC2)c1 ZINC000842743259 1132456378 /nfs/dbraw/zinc/45/63/78/1132456378.db2.gz BPSUILSVWLLOTB-UHFFFAOYSA-N 0 1 295.361 3.642 20 0 CHADMN CSc1cc(C)c(CN2CCC[C@@H](C(F)F)C2)cn1 ZINC001232348158 1132458790 /nfs/dbraw/zinc/45/87/90/1132458790.db2.gz OCXHNGPXTVHWDN-LLVKDONJSA-N 0 1 286.391 3.589 20 0 CHADMN CCC1CCN(Cc2cc(OC)c(Cl)cc2OC)CC1 ZINC001232369660 1132460058 /nfs/dbraw/zinc/46/00/58/1132460058.db2.gz AHJMDMBYWYTFTC-UHFFFAOYSA-N 0 1 297.826 3.979 20 0 CHADMN COc1cc(CN2CCC(C)CC2)c(OC)cc1Cl ZINC001232370508 1132460511 /nfs/dbraw/zinc/46/05/11/1132460511.db2.gz OZNZYFCDJRDROJ-UHFFFAOYSA-N 0 1 283.799 3.589 20 0 CHADMN CN(Cc1ccc(N)nc1)Cc1ccc(Cl)c(Cl)c1 ZINC001232365442 1132460790 /nfs/dbraw/zinc/46/07/90/1132460790.db2.gz GRMOQQPAEIRNRM-UHFFFAOYSA-N 0 1 296.201 3.603 20 0 CHADMN COc1cc(CN2CCC[C@@H](C)C2)c(OC)cc1Cl ZINC001232370143 1132460911 /nfs/dbraw/zinc/46/09/11/1132460911.db2.gz KPSPTHBRQCAFAH-LLVKDONJSA-N 0 1 283.799 3.589 20 0 CHADMN COc1cc(CN2CCC3(CCC3)C2)c(OC)cc1Cl ZINC001232374440 1132461813 /nfs/dbraw/zinc/46/18/13/1132461813.db2.gz RHRZRDQKILTRKV-UHFFFAOYSA-N 0 1 295.810 3.733 20 0 CHADMN COc1ccc(OCc2ccccc2)c(CN2CC[C@@H]2C)c1 ZINC001232378422 1132462975 /nfs/dbraw/zinc/46/29/75/1132462975.db2.gz FCNCJTRVJARKLM-HNNXBMFYSA-N 0 1 297.398 3.868 20 0 CHADMN Cc1ccc(OC(C)C)c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001232395245 1132465932 /nfs/dbraw/zinc/46/59/32/1132465932.db2.gz JSFFWXRZGIDPTN-CWRNSKLLSA-N 0 1 277.383 3.572 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1n[nH]c2c1CCC2 ZINC001232429386 1132469842 /nfs/dbraw/zinc/46/98/42/1132469842.db2.gz NPIKUXCYUNWLRN-NSHDSACASA-N 0 1 289.810 3.745 20 0 CHADMN CN(Cc1ncccn1)[C@@H]1CCCC2(CCCCC2)C1 ZINC001173346952 1132471072 /nfs/dbraw/zinc/47/10/72/1132471072.db2.gz UAFRJLLPKHKEHP-OAHLLOKOSA-N 0 1 273.424 3.802 20 0 CHADMN C[C@@H]1CCCCN(Cc2ccc(C(F)(F)F)o2)C1 ZINC001232442030 1132471176 /nfs/dbraw/zinc/47/11/76/1132471176.db2.gz VQOPTRMOLGXFDF-SNVBAGLBSA-N 0 1 261.287 3.920 20 0 CHADMN CCCCN(CC)Cc1cc(OCc2ccccc2)no1 ZINC001232449342 1132471782 /nfs/dbraw/zinc/47/17/82/1132471782.db2.gz XOKARVFEGPGHQZ-UHFFFAOYSA-N 0 1 288.391 3.876 20 0 CHADMN COCC[C@H]1CCCCN1Cc1ccc(C(F)(F)F)o1 ZINC001232443577 1132471833 /nfs/dbraw/zinc/47/18/33/1132471833.db2.gz CDIYRTRRHDVSRF-LLVKDONJSA-N 0 1 291.313 3.689 20 0 CHADMN Cc1cccc(F)c1CN1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC001232485056 1132477408 /nfs/dbraw/zinc/47/74/08/1132477408.db2.gz PYYAAFJTCVWNRY-LJQANCHMSA-N 0 1 298.405 3.623 20 0 CHADMN Cc1cccc(F)c1CN1CCN(C)[C@@H](c2ccccc2)C1 ZINC001232485056 1132477415 /nfs/dbraw/zinc/47/74/15/1132477415.db2.gz PYYAAFJTCVWNRY-LJQANCHMSA-N 0 1 298.405 3.623 20 0 CHADMN Fc1ccnc(CN(Cc2ccccc2)C2CCC2)c1 ZINC001232497695 1132482202 /nfs/dbraw/zinc/48/22/02/1132482202.db2.gz LFNHZPSESCZTFL-UHFFFAOYSA-N 0 1 270.351 3.775 20 0 CHADMN COc1cc(C)c(CN2CC[C@@](C)(F)[C@H](F)C2)c(C)c1 ZINC001142933604 1132483306 /nfs/dbraw/zinc/48/33/06/1132483306.db2.gz XFUSNPBRZHLOIL-HZPDHXFCSA-N 0 1 283.362 3.584 20 0 CHADMN FC[C@@H](NC1Cc2cc(F)c(F)cc2C1)c1ccccc1 ZINC001173473586 1132484782 /nfs/dbraw/zinc/48/47/82/1132484782.db2.gz FAYZJFKSGSYFER-QGZVFWFLSA-N 0 1 291.316 3.732 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1cccc(CF)n1 ZINC001232537812 1132486197 /nfs/dbraw/zinc/48/61/97/1132486197.db2.gz JHNIXXVNVDYXMA-UHFFFAOYSA-N 0 1 288.366 3.582 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1cccn2ccnc12 ZINC001142961400 1132487035 /nfs/dbraw/zinc/48/70/35/1132487035.db2.gz LNVYAFRGAIVBIA-AWEZNQCLSA-N 0 1 295.386 3.536 20 0 CHADMN c1csc([C@H]2CCC[N@@H+]2Cc2cccn3ccnc23)c1 ZINC001142956577 1132487540 /nfs/dbraw/zinc/48/75/40/1132487540.db2.gz XCOPRQDCVZGKMN-CQSZACIVSA-N 0 1 283.400 3.733 20 0 CHADMN C[N@@H+](Cc1cccc(Cl)c1)Cc1cccn2ccnc12 ZINC001142955764 1132487587 /nfs/dbraw/zinc/48/75/87/1132487587.db2.gz MQWBPQNIFHBXQA-UHFFFAOYSA-N 0 1 285.778 3.620 20 0 CHADMN CN(Cc1cccc(Cl)c1)Cc1cccn2ccnc12 ZINC001142955764 1132487593 /nfs/dbraw/zinc/48/75/93/1132487593.db2.gz MQWBPQNIFHBXQA-UHFFFAOYSA-N 0 1 285.778 3.620 20 0 CHADMN C[C@]1(F)CCCN(Cc2nc3ccccc3o2)CC1 ZINC001232555177 1132487662 /nfs/dbraw/zinc/48/76/62/1132487662.db2.gz PGJTXRASEBFQJB-HNNXBMFYSA-N 0 1 262.328 3.542 20 0 CHADMN COc1cc(C)c(C[N@@H+](C)Cc2cccnc2C)c(C)c1 ZINC001142949661 1132487911 /nfs/dbraw/zinc/48/79/11/1132487911.db2.gz MKYSLUMEZWPCTR-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN COc1cc(C)c(CN(C)Cc2cccnc2C)c(C)c1 ZINC001142949661 1132487914 /nfs/dbraw/zinc/48/79/14/1132487914.db2.gz MKYSLUMEZWPCTR-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN COC(=O)CCCC[C@H](C)N1Cc2cccc(Cl)c2C1 ZINC001173461998 1132488544 /nfs/dbraw/zinc/48/85/44/1132488544.db2.gz RSFDQAKCAAFSLM-LBPRGKRZSA-N 0 1 295.810 3.778 20 0 CHADMN CCOC(=O)c1ccc(CN(C)[C@H](C)CC)c(Cl)c1 ZINC001232590051 1132489532 /nfs/dbraw/zinc/48/95/32/1132489532.db2.gz IDICRPOOONLYKM-LLVKDONJSA-N 0 1 283.799 3.747 20 0 CHADMN Cn1nc(-c2ccccc2)cc1CN1CCCCC12CC2 ZINC001143015656 1132493559 /nfs/dbraw/zinc/49/35/59/1132493559.db2.gz NHTHDTHPDAZEOB-UHFFFAOYSA-N 0 1 281.403 3.606 20 0 CHADMN CC(C)[C@@H](N)c1noc(C2(c3ccccc3)CCCC2)n1 ZINC000843146093 1132496278 /nfs/dbraw/zinc/49/62/78/1132496278.db2.gz ALMSEPLWCNJQBN-CQSZACIVSA-N 0 1 285.391 3.586 20 0 CHADMN CCC[N@H+](CCOC)Cc1ccc(Cl)c([O-])c1Cl ZINC001232624844 1132497151 /nfs/dbraw/zinc/49/71/51/1132497151.db2.gz ZPQBNVYQOQRNRB-UHFFFAOYSA-N 0 1 292.206 3.557 20 0 CHADMN CCC[N@@H+](CCOC)Cc1ccc(Cl)c([O-])c1Cl ZINC001232624844 1132497154 /nfs/dbraw/zinc/49/71/54/1132497154.db2.gz ZPQBNVYQOQRNRB-UHFFFAOYSA-N 0 1 292.206 3.557 20 0 CHADMN CC(C)[C@H](N)c1noc(CCc2ccc3ccccc3c2)n1 ZINC000843150661 1132497748 /nfs/dbraw/zinc/49/77/48/1132497748.db2.gz KVQLYACWRAFSRN-KRWDZBQOSA-N 0 1 295.386 3.664 20 0 CHADMN Cc1cc(C)c(/C=C\c2nc([C@@H](N)C(C)C)no2)cc1C ZINC000843147898 1132497808 /nfs/dbraw/zinc/49/78/08/1132497808.db2.gz ISYPECGBRSZDJV-WLMCBFPDSA-N 0 1 285.391 3.821 20 0 CHADMN CC(C)[C@@H](Cc1ccccc1)c1nc([C@@H](N)C(C)C)no1 ZINC000843150044 1132497901 /nfs/dbraw/zinc/49/79/01/1132497901.db2.gz RRUBIDXYINEXLD-CABCVRRESA-N 0 1 287.407 3.708 20 0 CHADMN CC(C)[C@@H](N)c1noc(/C=C/c2ccc(Cl)s2)n1 ZINC000843148256 1132498141 /nfs/dbraw/zinc/49/81/41/1132498141.db2.gz OHOOMXBGYIDHGL-DUMNWFOQSA-N 0 1 283.784 3.611 20 0 CHADMN CCCCc1ccc(Cc2nc([C@H](N)C(C)C)no2)cc1 ZINC000843148039 1132498642 /nfs/dbraw/zinc/49/86/42/1132498642.db2.gz KZZFRGJEONHKHD-MRXNPFEDSA-N 0 1 287.407 3.659 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@@H]2C[C@H]2c2cccc(Cl)c2)n1 ZINC000843154138 1132498834 /nfs/dbraw/zinc/49/88/34/1132498834.db2.gz NMLAAFJFZSEIRK-YNEHKIRRSA-N 0 1 291.782 3.650 20 0 CHADMN CC(C)c1ccc(CCc2nc([C@H](N)C(C)C)no2)cc1 ZINC000843148793 1132498875 /nfs/dbraw/zinc/49/88/75/1132498875.db2.gz WSHURJZAYBFEDK-MRXNPFEDSA-N 0 1 287.407 3.634 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H]2CC[C@@H](C(C)C)CC2)n1 ZINC000843149421 1132498898 /nfs/dbraw/zinc/49/88/98/1132498898.db2.gz NBIDKJVWTJVZCE-AVGNSLFASA-N 0 1 265.401 3.655 20 0 CHADMN C[C@H]1CN(Cc2occc2Br)CCC[C@@H]1C ZINC001143116791 1132503439 /nfs/dbraw/zinc/50/34/39/1132503439.db2.gz UIFBZTDEWNIQIE-QWRGUYRKSA-N 0 1 286.213 3.910 20 0 CHADMN COc1cc(C)cc(CN2CCc3cccc(OC)c3C2)c1 ZINC001143149212 1132507996 /nfs/dbraw/zinc/50/79/96/1132507996.db2.gz AXALHOOYQYPTFH-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN COc1cc(C)cc(CN(C)Cc2ccsc2)c1 ZINC001143157003 1132510334 /nfs/dbraw/zinc/51/03/34/1132510334.db2.gz VLQANHKCVHBZKL-UHFFFAOYSA-N 0 1 261.390 3.697 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)nc1 ZINC000843289890 1132515371 /nfs/dbraw/zinc/51/53/71/1132515371.db2.gz ZUWRCOKOXXGJOQ-INIZCTEOSA-N 0 1 272.779 3.821 20 0 CHADMN Cc1c(CN2CCC(C(C)C)CC2)ccnc1Cl ZINC001232756943 1132515981 /nfs/dbraw/zinc/51/59/81/1132515981.db2.gz KOTOWQXQYVCCEK-UHFFFAOYSA-N 0 1 266.816 3.911 20 0 CHADMN CCN(Cc1ccc(Cl)cc1)Cc1ccc(C)nc1N ZINC001143208102 1132518846 /nfs/dbraw/zinc/51/88/46/1132518846.db2.gz ARBNHMKTJATIEC-UHFFFAOYSA-N 0 1 289.810 3.648 20 0 CHADMN c1c2cccnc2[nH]c1CN1CC=C(c2ccccc2)CC1 ZINC001143221631 1132519280 /nfs/dbraw/zinc/51/92/80/1132519280.db2.gz GGDSKZOLSKOBKV-UHFFFAOYSA-N 0 1 289.382 3.852 20 0 CHADMN Cc1ccccc1Nc1cc(F)ccc1N1CCN(C)CC1 ZINC001173816010 1132520145 /nfs/dbraw/zinc/52/01/45/1132520145.db2.gz RTEZOTIGDWDZLK-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN CC[C@H](C)N(C)Cc1cc(Br)cnc1Cl ZINC000843391708 1132527329 /nfs/dbraw/zinc/52/73/29/1132527329.db2.gz JFHNKSVTYVQAJN-QMMMGPOBSA-N 0 1 291.620 3.728 20 0 CHADMN CCOc1ccc(CN2C[C@@H](C)C[C@H](C)C2)c(F)c1F ZINC001143278354 1132529366 /nfs/dbraw/zinc/52/93/66/1132529366.db2.gz FUNHUVFTDOHRQQ-RYUDHWBXSA-N 0 1 283.362 3.841 20 0 CHADMN C[C@H]1Cc2ccccc2C[N@H+]1Cc1c[nH]c2ccc(O)cc12 ZINC001232872390 1132533668 /nfs/dbraw/zinc/53/36/68/1132533668.db2.gz XJPYPOCVFAANKS-ZDUSSCGKSA-N 0 1 292.382 3.820 20 0 CHADMN Cc1cc(O)cc(CN(C)Cc2cccc(Cl)c2)c1 ZINC001232879942 1132535389 /nfs/dbraw/zinc/53/53/89/1132535389.db2.gz GHHJADXPZTUSNS-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN COc1c(F)ccc(CN2CC[C@H]3CCCC[C@@H]3C2)c1F ZINC001143326703 1132536680 /nfs/dbraw/zinc/53/66/80/1132536680.db2.gz SHQMWCYMUPLNNO-CHWSQXEVSA-N 0 1 295.373 3.986 20 0 CHADMN CCCC[N@@H+](CCC)Cc1ccc(F)c([O-])c1F ZINC001232936605 1132546471 /nfs/dbraw/zinc/54/64/71/1132546471.db2.gz VHXXEFZRVYTGTK-UHFFFAOYSA-N 0 1 257.324 3.683 20 0 CHADMN CN(CCC(=O)c1ccccc1)Cc1ccc2ncoc2c1 ZINC001232942636 1132547507 /nfs/dbraw/zinc/54/75/07/1132547507.db2.gz FCWAXQJICDRJAH-UHFFFAOYSA-N 0 1 294.354 3.533 20 0 CHADMN CC[N@@H+](Cc1ccc(F)cc1)Cc1cc([O-])c(F)c(F)c1 ZINC001232976416 1132554868 /nfs/dbraw/zinc/55/48/68/1132554868.db2.gz XNYAXCLHQPIBEQ-UHFFFAOYSA-N 0 1 295.304 3.832 20 0 CHADMN Cc1nc2c(s1)C[N@@H+](Cc1ccc(C3CC3)cc1)CC2 ZINC001232982514 1132554980 /nfs/dbraw/zinc/55/49/80/1132554980.db2.gz DAWOVMKLEZINHT-UHFFFAOYSA-N 0 1 284.428 3.887 20 0 CHADMN Cc1nc2c(s1)CN(Cc1ccc(C3CC3)cc1)CC2 ZINC001232982514 1132554987 /nfs/dbraw/zinc/55/49/87/1132554987.db2.gz DAWOVMKLEZINHT-UHFFFAOYSA-N 0 1 284.428 3.887 20 0 CHADMN c1ccc2c(c1)CN(Cc1ccc(C3CC3)cc1)CCO2 ZINC001232984240 1132555754 /nfs/dbraw/zinc/55/57/54/1132555754.db2.gz ZKGRHCIFCQLKPP-UHFFFAOYSA-N 0 1 279.383 3.959 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(F)cnc2C)cc1C ZINC001232991858 1132557457 /nfs/dbraw/zinc/55/74/57/1132557457.db2.gz GDANOELDRZPVBQ-UHFFFAOYSA-N 0 1 272.367 3.778 20 0 CHADMN Cc1ncc(F)cc1CN(C)Cc1cccc2cccnc21 ZINC001232989683 1132558183 /nfs/dbraw/zinc/55/81/83/1132558183.db2.gz HNZUZMKPZXKNAT-UHFFFAOYSA-N 0 1 295.361 3.709 20 0 CHADMN COc1cc(Cl)cc(F)c1CN1CC2CCC1CC2 ZINC001233003775 1132560257 /nfs/dbraw/zinc/56/02/57/1132560257.db2.gz UXQWHXFFUYNEHY-UHFFFAOYSA-N 0 1 283.774 3.862 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c1F ZINC001233053295 1132567554 /nfs/dbraw/zinc/56/75/54/1132567554.db2.gz NOISDGFMDMLVBI-TZMCWYRMSA-N 0 1 263.356 3.686 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c1F ZINC001233053295 1132567557 /nfs/dbraw/zinc/56/75/57/1132567557.db2.gz NOISDGFMDMLVBI-TZMCWYRMSA-N 0 1 263.356 3.686 20 0 CHADMN CCC[C@H]1CCCC[N@@H+]1Cc1cccc([O-])c1F ZINC001233053853 1132567601 /nfs/dbraw/zinc/56/76/01/1132567601.db2.gz UQBWDTLERRLWNG-ZDUSSCGKSA-N 0 1 251.345 3.686 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1cccc([O-])c1F ZINC001233053853 1132567605 /nfs/dbraw/zinc/56/76/05/1132567605.db2.gz UQBWDTLERRLWNG-ZDUSSCGKSA-N 0 1 251.345 3.686 20 0 CHADMN Cc1cc2ccc(NC(=O)c3cc4cccnc4[nH]3)cc2[nH]1 ZINC001151549305 1132571026 /nfs/dbraw/zinc/57/10/26/1132571026.db2.gz KLMAFEXJIUQBLP-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN CCc1cccc(CC)c1NC(=O)c1cc2cccnc2[nH]1 ZINC001151547895 1132571177 /nfs/dbraw/zinc/57/11/77/1132571177.db2.gz VWMBMADAXBZZHG-UHFFFAOYSA-N 0 1 293.370 3.940 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1[nH]nc2cc(F)ccc21 ZINC001233120221 1132573101 /nfs/dbraw/zinc/57/31/01/1132573101.db2.gz WSNLRACDAOOYSH-GFCCVEGCSA-N 0 1 295.361 3.821 20 0 CHADMN CN1CCN(c2ccccc2NC=Cc2ccccc2)CC1 ZINC001173872051 1132575056 /nfs/dbraw/zinc/57/50/56/1132575056.db2.gz DHNGMAXRLGXQND-VAWYXSNFSA-N 0 1 293.414 3.521 20 0 CHADMN Cc1cc(CN2Cc3ccccc3C[C@H]2C)cnc1C ZINC001233161016 1132575372 /nfs/dbraw/zinc/57/53/72/1132575372.db2.gz OWTNHKLJCIIFKT-CQSZACIVSA-N 0 1 266.388 3.645 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CCC[C@H]2CCC[C@H]21 ZINC001233172251 1132576006 /nfs/dbraw/zinc/57/60/06/1132576006.db2.gz NUSCEWTYBNVDFB-IUODEOHRSA-N 0 1 294.826 3.898 20 0 CHADMN Cc1cccc2nc(C(=O)Nc3ncccc3C(C)C)[nH]c21 ZINC001151985939 1132577256 /nfs/dbraw/zinc/57/72/56/1132577256.db2.gz XXFVUBNYTCYDMX-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN Cc1cccc(C)c1Nc1ccnn1-c1ccncc1 ZINC001173874257 1132577464 /nfs/dbraw/zinc/57/74/64/1132577464.db2.gz QVAGJZMSVFUNLT-UHFFFAOYSA-N 0 1 264.332 3.628 20 0 CHADMN CC[C@H]1CCCN1Cc1cc(Br)cc(OC)c1 ZINC001233214977 1132582620 /nfs/dbraw/zinc/58/26/20/1132582620.db2.gz IZYZMLDQCFQWRJ-ZDUSSCGKSA-N 0 1 298.224 3.832 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1c(C)cccc1F ZINC001152719270 1132586547 /nfs/dbraw/zinc/58/65/47/1132586547.db2.gz QZZBXVPELAXGMY-UHFFFAOYSA-N 0 1 280.387 3.585 20 0 CHADMN Cc1ccc(Cl)cc1CN(CCO)Cc1cccs1 ZINC001233249913 1132589086 /nfs/dbraw/zinc/58/90/86/1132589086.db2.gz NAHCWFYAXFPWJK-UHFFFAOYSA-N 0 1 295.835 3.704 20 0 CHADMN Cc1ccc(Cl)cc1CN(C)Cc1ccncc1 ZINC001233248130 1132589399 /nfs/dbraw/zinc/58/93/99/1132589399.db2.gz ZBVPXCVXYISFQA-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc([S-])cc2)no1 ZINC001233258629 1132589860 /nfs/dbraw/zinc/58/98/60/1132589860.db2.gz MNSLOQSKHNARHM-OAHLLOKOSA-N 0 1 274.389 3.609 20 0 CHADMN Cc1cc([C@H]2CCC[N@H+]2Cc2ccc([S-])cc2)no1 ZINC001233258629 1132589871 /nfs/dbraw/zinc/58/98/71/1132589871.db2.gz MNSLOQSKHNARHM-OAHLLOKOSA-N 0 1 274.389 3.609 20 0 CHADMN [S-]c1ccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC001233261405 1132590359 /nfs/dbraw/zinc/59/03/59/1132590359.db2.gz OAHIHQTZSPBZKO-HNNXBMFYSA-N 0 1 284.428 3.750 20 0 CHADMN [S-]c1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC001233261247 1132591492 /nfs/dbraw/zinc/59/14/92/1132591492.db2.gz IAODUCUWXVFQKZ-QGZVFWFLSA-N 0 1 285.412 3.549 20 0 CHADMN COc1ccc2c(c1)C[N@H+](Cc1ccc([S-])cc1)CCC2 ZINC001233262591 1132592833 /nfs/dbraw/zinc/59/28/33/1132592833.db2.gz MZDVMRAFQCVPQE-UHFFFAOYSA-N 0 1 299.439 3.932 20 0 CHADMN Fc1cc2c(cc1F)C[N@H+](Cc1ccc([S-])cc1)CC2 ZINC001233263400 1132593871 /nfs/dbraw/zinc/59/38/71/1132593871.db2.gz SBNQKHRRLKULSZ-UHFFFAOYSA-N 0 1 291.366 3.812 20 0 CHADMN Fc1cc2c(cc1F)C[N@@H+](Cc1ccc([S-])cc1)CC2 ZINC001233263400 1132593874 /nfs/dbraw/zinc/59/38/74/1132593874.db2.gz SBNQKHRRLKULSZ-UHFFFAOYSA-N 0 1 291.366 3.812 20 0 CHADMN COc1ccccc1[C@@H]1CCCN1Cc1cc(C)ns1 ZINC001233312476 1132596489 /nfs/dbraw/zinc/59/64/89/1132596489.db2.gz UYOJJCHMRCJXQF-HNNXBMFYSA-N 0 1 288.416 3.797 20 0 CHADMN CN(CC(=O)Nc1ccc(C(C)(C)C)c(F)c1)C1CCC1 ZINC001153731352 1132600436 /nfs/dbraw/zinc/60/04/36/1132600436.db2.gz NYJRPZNTQXHLPU-UHFFFAOYSA-N 0 1 292.398 3.546 20 0 CHADMN CN(CCF)Cc1ccc(Cc2ccccc2)cc1 ZINC001233331699 1132603364 /nfs/dbraw/zinc/60/33/64/1132603364.db2.gz HKMGQFDLPAKBIB-UHFFFAOYSA-N 0 1 257.352 3.679 20 0 CHADMN CSc1cccc(Cl)c1CN1CCC(F)CC1 ZINC001233350731 1132603712 /nfs/dbraw/zinc/60/37/12/1132603712.db2.gz RKZPGCYBUMCYBJ-UHFFFAOYSA-N 0 1 273.804 3.996 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1cc(O)ccc1Br ZINC000133743683 1132603998 /nfs/dbraw/zinc/60/39/98/1132603998.db2.gz OMSNZRGWLRABFV-WDEREUQCSA-N 0 1 298.224 3.775 20 0 CHADMN COc1cc(F)c(CN(C)CCc2ccccc2)cc1F ZINC001233341025 1132604021 /nfs/dbraw/zinc/60/40/21/1132604021.db2.gz ZZTAJRSHDIZHDA-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Cc3ccccc3)cc2)[C@@H](C)CO1 ZINC001233331548 1132604408 /nfs/dbraw/zinc/60/44/08/1132604408.db2.gz AUBYHFHBZWTYAV-DLBZAZTESA-N 0 1 295.426 3.887 20 0 CHADMN CCN(Cc1cc2cccnc2s1)Cc1cccnc1 ZINC001233347917 1132605640 /nfs/dbraw/zinc/60/56/40/1132605640.db2.gz GRYNYCIZQPYKJR-UHFFFAOYSA-N 0 1 283.400 3.713 20 0 CHADMN COc1cc(F)c(CN2CCCCC[C@@H]2C)cc1F ZINC001233343031 1132606054 /nfs/dbraw/zinc/60/60/54/1132606054.db2.gz WHFXAIWUAXJOOY-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN COc1cc(F)c(CN2CCC[C@H]3CCC[C@H]32)cc1F ZINC001233344112 1132606504 /nfs/dbraw/zinc/60/65/04/1132606504.db2.gz OJYAIYYJGIUNOZ-IAQYHMDHSA-N 0 1 281.346 3.738 20 0 CHADMN Clc1cccc2ncc(C[N@H+]3CC[C@H]4CCC[C@H]4C3)n21 ZINC001233356462 1132610522 /nfs/dbraw/zinc/61/05/22/1132610522.db2.gz MXPFXIAMNAUNML-OLZOCXBDSA-N 0 1 289.810 3.610 20 0 CHADMN Clc1cccc2ncc(CN3CC[C@H]4CCC[C@H]4C3)n21 ZINC001233356462 1132610529 /nfs/dbraw/zinc/61/05/29/1132610529.db2.gz MXPFXIAMNAUNML-OLZOCXBDSA-N 0 1 289.810 3.610 20 0 CHADMN Nc1cccc(CN2CCCC[C@H]2c2ccccc2F)n1 ZINC001233371238 1132611086 /nfs/dbraw/zinc/61/10/86/1132611086.db2.gz GWBGYUVTYATIDE-INIZCTEOSA-N 0 1 285.366 3.530 20 0 CHADMN Nc1cccc(CN2CCC[C@H]2c2cccc(Cl)c2)n1 ZINC001233372321 1132611579 /nfs/dbraw/zinc/61/15/79/1132611579.db2.gz IUQZSQLRVAQPRI-HNNXBMFYSA-N 0 1 287.794 3.654 20 0 CHADMN CN(CCc1ccccc1)Cc1cn2ccc(Cl)cc2n1 ZINC001233387885 1132613859 /nfs/dbraw/zinc/61/38/59/1132613859.db2.gz CKLQRZXMAQFVSD-UHFFFAOYSA-N 0 1 299.805 3.662 20 0 CHADMN Clc1ccn2cc(CN3C4CCCC3CCC4)nc2c1 ZINC001233392660 1132616505 /nfs/dbraw/zinc/61/65/05/1132616505.db2.gz JLFADHXLQXJDKR-UHFFFAOYSA-N 0 1 289.810 3.895 20 0 CHADMN CCN(CC)C(=O)c1cccc2[nH]c(-c3ccccc3)nc21 ZINC001154484319 1132616667 /nfs/dbraw/zinc/61/66/67/1132616667.db2.gz VPMDGBJNMBKALU-UHFFFAOYSA-N 0 1 293.370 3.712 20 0 CHADMN F[C@H]1CN(Cc2ccc3nc(Cl)ccc3c2)C[C@@H]2C[C@@H]21 ZINC001233442739 1132623320 /nfs/dbraw/zinc/62/33/20/1132623320.db2.gz DQWATMCORWFEMS-IHRRRGAJSA-N 0 1 290.769 3.678 20 0 CHADMN CC(C)(C)OC(=O)n1ccc(CN2CCC(C)(F)CC2)c1 ZINC001233429942 1132623397 /nfs/dbraw/zinc/62/33/97/1132623397.db2.gz SVUFFZUVOQVDOB-UHFFFAOYSA-N 0 1 296.386 3.595 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc2nc(Cl)ccc2c1 ZINC001233442170 1132623679 /nfs/dbraw/zinc/62/36/79/1132623679.db2.gz IAQXYYFMIFVERR-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN FC(F)(F)c1cc(Cl)ccc1Nc1ccncc1 ZINC001173882182 1132623819 /nfs/dbraw/zinc/62/38/19/1132623819.db2.gz BMLQOGOIBYYWAY-UHFFFAOYSA-N 0 1 272.657 3.919 20 0 CHADMN c1c(-c2ccccc2)nc2cc(Nc3ccncc3)ccn12 ZINC001173881881 1132624135 /nfs/dbraw/zinc/62/41/35/1132624135.db2.gz FOSBTQQBIHRQKX-UHFFFAOYSA-N 0 1 286.338 3.562 20 0 CHADMN Cc1c(Nc2ccncc2)cccc1C(F)(F)F ZINC001173882383 1132624179 /nfs/dbraw/zinc/62/41/79/1132624179.db2.gz GXMLXSYPMNFVQQ-UHFFFAOYSA-N 0 1 252.239 3.574 20 0 CHADMN Clc1cncc(CN2CCC[C@@H](c3ccccc3)C2)n1 ZINC001233449313 1132624721 /nfs/dbraw/zinc/62/47/21/1132624721.db2.gz YDPHMYPYIRPHEZ-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN Nc1ccc(Sc2ccc(Nc3ccncc3)cc2)cc1 ZINC001173883762 1132624967 /nfs/dbraw/zinc/62/49/67/1132624967.db2.gz RADSXAWHPRTNBQ-UHFFFAOYSA-N 0 1 293.395 3.981 20 0 CHADMN Cc1cc(F)ccc1Nc1cccc(N2CCN(C)CC2)c1 ZINC001173968301 1132638400 /nfs/dbraw/zinc/63/84/00/1132638400.db2.gz NDAPTENDIZRPSM-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN Clc1cccc2nc(CN3CC[C@H]4CCC[C@@H]4C3)cn21 ZINC001233563810 1132638878 /nfs/dbraw/zinc/63/88/78/1132638878.db2.gz ROXCEGYKJYSOBH-CHWSQXEVSA-N 0 1 289.810 3.610 20 0 CHADMN CCc1ccccc1Nc1ccnn1-c1ccncc1 ZINC001173969880 1132639972 /nfs/dbraw/zinc/63/99/72/1132639972.db2.gz STMCHHPWHNUUJT-UHFFFAOYSA-N 0 1 264.332 3.573 20 0 CHADMN CC[C@@H](Oc1n[nH]c(=O)cc1Cl)C1CCCCC1 ZINC001233588950 1132643963 /nfs/dbraw/zinc/64/39/63/1132643963.db2.gz HGUIJRVRFOTNJT-LLVKDONJSA-N 0 1 270.760 3.573 20 0 CHADMN CCOC(=O)c1c(Nc2ccoc2)onc1-c1ccccc1 ZINC001173933404 1132646733 /nfs/dbraw/zinc/64/67/33/1132646733.db2.gz ABYHXSXLXLURGI-UHFFFAOYSA-N 0 1 298.298 3.855 20 0 CHADMN Cc1cnc(NCc2ccc(C(F)(F)F)n2C)c(C)c1 ZINC001155247535 1132651353 /nfs/dbraw/zinc/65/13/53/1132651353.db2.gz QNOQVEWHTIKVLQ-UHFFFAOYSA-N 0 1 283.297 3.668 20 0 CHADMN Cc1cc(CN2CCc3nc(C)sc3C2)sc1C ZINC001233686667 1132664725 /nfs/dbraw/zinc/66/47/25/1132664725.db2.gz ZUOAHCJIUVGMLK-UHFFFAOYSA-N 0 1 278.446 3.688 20 0 CHADMN COC1C[C@H]2CC[C@@H](C1)N2c1nc(C)cc2ccccc21 ZINC001155803668 1132666097 /nfs/dbraw/zinc/66/60/97/1132666097.db2.gz HKHUUXGYORODNY-XYPWUTKMSA-N 0 1 282.387 3.689 20 0 CHADMN CC(C)=CCC/C(C)=C/CNC(=O)c1cccc2cncn21 ZINC001155802051 1132666445 /nfs/dbraw/zinc/66/64/45/1132666445.db2.gz YAUCDGKCTXAPEY-XNTDXEJSSA-N 0 1 297.402 3.757 20 0 CHADMN Clc1cnc(Br)c(NC2=CCCC2)c1 ZINC001173997039 1132670118 /nfs/dbraw/zinc/67/01/18/1132670118.db2.gz QPPOWTKGCKRAER-UHFFFAOYSA-N 0 1 273.561 3.977 20 0 CHADMN c1cn2cc(Nc3cnc4ccccc4c3)ccc2n1 ZINC001174001546 1132672140 /nfs/dbraw/zinc/67/21/40/1132672140.db2.gz XFDPRSHEQITXTC-UHFFFAOYSA-N 0 1 260.300 3.626 20 0 CHADMN CC(C)Oc1ccnc(N2CCC[C@@H]2c2ccccn2)c1 ZINC001156033460 1132677306 /nfs/dbraw/zinc/67/73/06/1132677306.db2.gz HYUFOGPUCHTETR-MRXNPFEDSA-N 0 1 283.375 3.605 20 0 CHADMN COc1ccc(O[C@H](C)CNc2cc(C)c(C)cn2)cc1 ZINC001156081265 1132680742 /nfs/dbraw/zinc/68/07/42/1132680742.db2.gz XPSIRTDSNCZGPD-CQSZACIVSA-N 0 1 286.375 3.586 20 0 CHADMN Cc1cnc(N[C@H](c2ccccc2)c2ccncc2)c(N)c1 ZINC001156096634 1132682366 /nfs/dbraw/zinc/68/23/66/1132682366.db2.gz XEGQJNAQFYMBJY-QGZVFWFLSA-N 0 1 290.370 3.569 20 0 CHADMN CN1CCC[C@@H](Oc2c(F)cccc2C(C)(C)C)C1 ZINC001233826533 1132685165 /nfs/dbraw/zinc/68/51/65/1132685165.db2.gz CYUWTMURORFHMZ-GFCCVEGCSA-N 0 1 265.372 3.596 20 0 CHADMN CC(C)N1CCC[C@@H](Oc2c(F)cc(F)cc2Cl)C1 ZINC001233832334 1132686443 /nfs/dbraw/zinc/68/64/43/1132686443.db2.gz FSISSOYLCJGNCL-LLVKDONJSA-N 0 1 289.753 3.870 20 0 CHADMN COc1cc(Nc2cc[nH+]c3ccccc23)ccc1[S-] ZINC001174039226 1132704122 /nfs/dbraw/zinc/70/41/22/1132704122.db2.gz KAQBOWRNZRVRFQ-UHFFFAOYSA-N 0 1 282.368 3.698 20 0 CHADMN c1cc(Nc2cncc3ccccc32)n(-c2ccncc2)n1 ZINC001174100557 1132717423 /nfs/dbraw/zinc/71/74/23/1132717423.db2.gz HNUFOYZNNPWREW-UHFFFAOYSA-N 0 1 287.326 3.559 20 0 CHADMN CCC[C@@H](C(=O)N1CCCC[C@H]1c1cc(C)[nH]n1)C(C)C ZINC001157198390 1132724122 /nfs/dbraw/zinc/72/41/22/1132724122.db2.gz AKHXILIWGOTKBC-ZBFHGGJFSA-N 0 1 291.439 3.844 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1cccc(OC(C)C)c1 ZINC001174113919 1132728912 /nfs/dbraw/zinc/72/89/12/1132728912.db2.gz UIENLBMSKPCADJ-UHFFFAOYSA-N 0 1 281.359 3.703 20 0 CHADMN COc1ccnc(NCc2ccc(F)c(Cl)c2F)c1 ZINC001157709871 1132738927 /nfs/dbraw/zinc/73/89/27/1132738927.db2.gz SPUSIDAXBDMHAV-UHFFFAOYSA-N 0 1 284.693 3.634 20 0 CHADMN CC[C@H](C)N1CCN(C(=O)CCC2CCCCCC2)CC1 ZINC001158146528 1132764719 /nfs/dbraw/zinc/76/47/19/1132764719.db2.gz URVMSBCKAKNCDF-INIZCTEOSA-N 0 1 294.483 3.680 20 0 CHADMN Cc1cc(OC(F)F)ccc1Nc1ccc2nccn2c1 ZINC001174279096 1132769028 /nfs/dbraw/zinc/76/90/28/1132769028.db2.gz NGJDEFJVJQFUHF-UHFFFAOYSA-N 0 1 289.285 3.988 20 0 CHADMN Oc1cc(Nc2ccc3nccn3c2)c(F)cc1Cl ZINC001174279441 1132770287 /nfs/dbraw/zinc/77/02/87/1132770287.db2.gz ZRHFEFQRAZHMLC-UHFFFAOYSA-N 0 1 277.686 3.576 20 0 CHADMN Cc1cc(F)cc(C)c1Nc1ccc2nccn2c1 ZINC001174280962 1132770444 /nfs/dbraw/zinc/77/04/44/1132770444.db2.gz ZPYNJDGOTMMZLK-UHFFFAOYSA-N 0 1 255.296 3.834 20 0 CHADMN COc1ccnc(N[C@H]2C[C@@H](C)c3ccccc32)c1 ZINC001158466457 1132777152 /nfs/dbraw/zinc/77/71/52/1132777152.db2.gz GCCZRGATXUUIRH-ABAIWWIYSA-N 0 1 254.333 3.751 20 0 CHADMN Nc1cc(Cl)cc2c1ccn2-c1ccc2n[nH]cc2c1 ZINC001174272835 1132782190 /nfs/dbraw/zinc/78/21/90/1132782190.db2.gz JZRPBNKKQCDHFU-UHFFFAOYSA-N 0 1 282.734 3.742 20 0 CHADMN COc1ccc(Cl)c(Nc2ccc3nccn3c2)c1 ZINC001174276540 1132784835 /nfs/dbraw/zinc/78/48/35/1132784835.db2.gz GDDYCWFJGUQGGM-UHFFFAOYSA-N 0 1 273.723 3.740 20 0 CHADMN Cc1ccc2cc(Nc3ccc4nccn4c3)ccc2n1 ZINC001174278358 1132785509 /nfs/dbraw/zinc/78/55/09/1132785509.db2.gz AXFGFXKTZNKBJN-UHFFFAOYSA-N 0 1 274.327 3.935 20 0 CHADMN Fc1cccc2cc(Nc3ccc4nccn4c3)cnc12 ZINC001174278083 1132785874 /nfs/dbraw/zinc/78/58/74/1132785874.db2.gz GTFHGTSTSLHVIQ-UHFFFAOYSA-N 0 1 278.290 3.765 20 0 CHADMN Fc1cc(Nc2ccc3nccn3c2)c(Cl)nc1Cl ZINC001174277020 1132786208 /nfs/dbraw/zinc/78/62/08/1132786208.db2.gz DBVCLVDLUNMWSA-UHFFFAOYSA-N 0 1 297.120 3.919 20 0 CHADMN Nc1cc(Cl)c(Cl)cc1Nc1ccc2nccn2c1 ZINC001174277295 1132786540 /nfs/dbraw/zinc/78/65/40/1132786540.db2.gz AREJPZKSYYJOHI-UHFFFAOYSA-N 0 1 293.157 3.967 20 0 CHADMN c1n[nH]c2cccc(Nc3csc4ncccc34)c12 ZINC001174342024 1132800134 /nfs/dbraw/zinc/80/01/34/1132800134.db2.gz AXHZDMUZENNGAL-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN FC(F)c1ccc(Nc2cccc3[nH]ncc32)cn1 ZINC001174343731 1132800855 /nfs/dbraw/zinc/80/08/55/1132800855.db2.gz WFHJIBZIWAOPAC-UHFFFAOYSA-N 0 1 260.247 3.639 20 0 CHADMN FC(F)(F)c1ncccc1Nc1cccc2[nH]ncc21 ZINC001174344200 1132801017 /nfs/dbraw/zinc/80/10/17/1132801017.db2.gz YWOJZNDLTQRDOP-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN c1ncc(-c2cccc(Nc3cccc4[nH]ncc43)c2)o1 ZINC001174344299 1132801053 /nfs/dbraw/zinc/80/10/53/1132801053.db2.gz TUKHELJCNXMMKS-UHFFFAOYSA-N 0 1 276.299 3.962 20 0 CHADMN FC(F)(F)c1cccc(Nc2cccc3[nH]ncc32)n1 ZINC001174343564 1132801464 /nfs/dbraw/zinc/80/14/64/1132801464.db2.gz WJXLPIYLIRDVEK-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN Cc1cc2c(cccc2Nc2cccc3[nH]ncc32)nn1 ZINC001174344418 1132802017 /nfs/dbraw/zinc/80/20/17/1132802017.db2.gz ZLNCAVNKESOBNG-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN COc1cc(Nc2cccc3[nH]ncc32)ccc1C ZINC001174343520 1132802740 /nfs/dbraw/zinc/80/27/40/1132802740.db2.gz BDSBENQEHSQHJY-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cn1cc(-c2ccc(Nc3cccc4[nH]ncc43)cc2)cn1 ZINC001174344864 1132803440 /nfs/dbraw/zinc/80/34/40/1132803440.db2.gz QWZVQEXGXMCYLY-UHFFFAOYSA-N 0 1 289.342 3.707 20 0 CHADMN CCOC(=O)Nc1ccc(Nc2cccc3[nH]ncc32)cc1 ZINC001174345451 1132803616 /nfs/dbraw/zinc/80/36/16/1132803616.db2.gz BERMLLUYXCTEKK-UHFFFAOYSA-N 0 1 296.330 3.875 20 0 CHADMN COc1cnc2c(cccc2Nc2cccc3[nH]ncc32)c1 ZINC001174344813 1132803808 /nfs/dbraw/zinc/80/38/08/1132803808.db2.gz FDBUAUGHLURHIW-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN Cc1nn(C)c2cc(Nc3cccc4[nH]ncc43)ccc12 ZINC001174345510 1132804183 /nfs/dbraw/zinc/80/41/83/1132804183.db2.gz FTFXJLQTQJOJMU-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN CC(C)(C)c1cncc(Nc2cccc3[nH]ncc32)c1 ZINC001174344577 1132804734 /nfs/dbraw/zinc/80/47/34/1132804734.db2.gz HLUBTUIZINUZTH-UHFFFAOYSA-N 0 1 266.348 3.999 20 0 CHADMN c1n[nH]c2cccc(Nc3cccc4c3CCCO4)c12 ZINC001174347866 1132806397 /nfs/dbraw/zinc/80/63/97/1132806397.db2.gz NTEJIACVSHZTKN-UHFFFAOYSA-N 0 1 265.316 3.632 20 0 CHADMN COC(=O)c1cc(C)c(C)c(Nc2cccc3[nH]ncc32)c1 ZINC001174346978 1132806577 /nfs/dbraw/zinc/80/65/77/1132806577.db2.gz FOGGOCTWLDLPTL-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1cnc(NCc2ccccc2-c2cccnc2)c(N)c1 ZINC001159107531 1132807200 /nfs/dbraw/zinc/80/72/00/1132807200.db2.gz OMYOKPCSAFXMKX-UHFFFAOYSA-N 0 1 290.370 3.646 20 0 CHADMN Clc1cccc(NC2=CCCN(Cc3ccccc3)C2)n1 ZINC001174392908 1132808742 /nfs/dbraw/zinc/80/87/42/1132808742.db2.gz MCSZYEPANPMHJE-UHFFFAOYSA-N 0 1 299.805 3.937 20 0 CHADMN Fc1cc(F)c(Nc2cc([C@H]3CCCCN3)no2)c(F)c1 ZINC001159309184 1132827613 /nfs/dbraw/zinc/82/76/13/1132827613.db2.gz QORHRCNAEZGNFH-LLVKDONJSA-N 0 1 297.280 3.650 20 0 CHADMN Cc1cccc(Nc2cc([C@H]3CCCCN3)no2)c1F ZINC001159314115 1132829120 /nfs/dbraw/zinc/82/91/20/1132829120.db2.gz XZSYPNCWKDRNAL-LLVKDONJSA-N 0 1 275.327 3.680 20 0 CHADMN COc1cccc(Nc2cc([C@@H]3CCCCN3)no2)c1C ZINC001159313050 1132829321 /nfs/dbraw/zinc/82/93/21/1132829321.db2.gz IWYCXUBVBOSKFP-ZDUSSCGKSA-N 0 1 287.363 3.550 20 0 CHADMN Cc1cc(Nc2cc([C@H]3CCCCN3)no2)cc(C)c1O ZINC001159313215 1132829888 /nfs/dbraw/zinc/82/98/88/1132829888.db2.gz JWOABNQBDXJGGK-CYBMUJFWSA-N 0 1 287.363 3.555 20 0 CHADMN Cc1cc(=O)oc2cc(Nc3ccc4c[nH]nc4c3)ccc12 ZINC001174500096 1132856362 /nfs/dbraw/zinc/85/63/62/1132856362.db2.gz JXTUGQYVWVBNST-UHFFFAOYSA-N 0 1 291.310 3.721 20 0 CHADMN Cc1cc(Nc2ccc3c[nH]nc3c2)cc2snnc21 ZINC001174500141 1132858727 /nfs/dbraw/zinc/85/87/27/1132858727.db2.gz BDKZYKSIFZIIKP-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN CCOC(=O)c1ccc(Nc2ccc3c[nH]nc3c2)c(C)c1 ZINC001174500278 1132861169 /nfs/dbraw/zinc/86/11/69/1132861169.db2.gz NZZDZARPJNDCCY-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN Fc1ccccc1-n1nccc1Nc1ccc2c[nH]nc2c1 ZINC001174498312 1132863431 /nfs/dbraw/zinc/86/34/31/1132863431.db2.gz BSTAMBVGJNFMPU-UHFFFAOYSA-N 0 1 293.305 3.631 20 0 CHADMN CCOc1ccc(F)c(F)c1Nc1cccc2[nH]ncc21 ZINC001159574430 1132864461 /nfs/dbraw/zinc/86/44/61/1132864461.db2.gz RETWNNFJBHFKJT-UHFFFAOYSA-N 0 1 289.285 3.983 20 0 CHADMN Cc1cnn(C2CCC2)c1Nc1ccc2c[nH]nc2c1 ZINC001174498904 1132864509 /nfs/dbraw/zinc/86/45/09/1132864509.db2.gz LUTVCQZJLICYLK-UHFFFAOYSA-N 0 1 267.336 3.536 20 0 CHADMN CCNc1ccnc(Cl)c1Nc1ccc2c[nH]nc2c1 ZINC001174497685 1132865017 /nfs/dbraw/zinc/86/50/17/1132865017.db2.gz FKLJKFQKABENRU-UHFFFAOYSA-N 0 1 287.754 3.787 20 0 CHADMN FC(F)(F)c1ccc(Nc2ccc3cn[nH]c3c2)nc1 ZINC001174498346 1132865035 /nfs/dbraw/zinc/86/50/35/1132865035.db2.gz BTVBYPCLTZINCY-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN c1n[nH]c2cc(Nc3cnc(C4CC4)s3)ccc12 ZINC001174499356 1132865897 /nfs/dbraw/zinc/86/58/97/1132865897.db2.gz SYZFKBPYBHSFGF-UHFFFAOYSA-N 0 1 256.334 3.640 20 0 CHADMN CC(C)c1ncsc1Nc1ccc2cn[nH]c2c1 ZINC001174499485 1132866613 /nfs/dbraw/zinc/86/66/13/1132866613.db2.gz XIIZAUFMFCSOHH-UHFFFAOYSA-N 0 1 258.350 3.886 20 0 CHADMN Cc1ccccc1-n1nccc1Nc1ccc2c[nH]nc2c1 ZINC001174499441 1132866759 /nfs/dbraw/zinc/86/67/59/1132866759.db2.gz WJWDXUIEUAPYPJ-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN COc1nc(C(C)C)ccc1Nc1cccc2[nH]ncc21 ZINC001159575346 1132866739 /nfs/dbraw/zinc/86/67/39/1132866739.db2.gz XXPRQQIVQXCNFH-UHFFFAOYSA-N 0 1 282.347 3.834 20 0 CHADMN c1[nH]nc2cc(Nc3cncc(-c4ccccn4)c3)ccc12 ZINC001174499463 1132866912 /nfs/dbraw/zinc/86/69/12/1132866912.db2.gz WQJAXTSOQLNLQO-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2c(c1)NCCC2 ZINC001159604971 1132872482 /nfs/dbraw/zinc/87/24/82/1132872482.db2.gz XGNOGHWZEBQCIV-UHFFFAOYSA-N 0 1 278.359 3.973 20 0 CHADMN CCOc1ccc(Nc2ccc3c[nH]nc3c2)cc1F ZINC001159661945 1132884565 /nfs/dbraw/zinc/88/45/65/1132884565.db2.gz LIBAHVJJOONJSD-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN CCOc1cc(Nc2ccc3c[nH]nc3c2)ccc1F ZINC001159661632 1132885126 /nfs/dbraw/zinc/88/51/26/1132885126.db2.gz CUWBFUQMAXKGHB-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN Cn1ccc2c1cccc2Nc1ccc2c[nH]nc2c1 ZINC001159662098 1132885516 /nfs/dbraw/zinc/88/55/16/1132885516.db2.gz QSWWZURXVKZDSS-UHFFFAOYSA-N 0 1 262.316 3.798 20 0 CHADMN COc1c(C)cc(Nc2ccc3c[nH]nc3c2)cc1C ZINC001159661591 1132885784 /nfs/dbraw/zinc/88/57/84/1132885784.db2.gz AVNYNTHVFYENQY-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN COc1c(C)cccc1Nc1ccc2c[nH]nc2c1 ZINC001159662937 1132886687 /nfs/dbraw/zinc/88/66/87/1132886687.db2.gz MEWWRWXCPAVAMC-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN COc1c(F)cc(F)cc1Nc1ccc2c[nH]nc2c1 ZINC001159662837 1132886874 /nfs/dbraw/zinc/88/68/74/1132886874.db2.gz HJTLZUJKTZQRKK-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN COC(=O)c1c(C)cc(Nc2ccc3c[nH]nc3c2)cc1C ZINC001159662725 1132886993 /nfs/dbraw/zinc/88/69/93/1132886993.db2.gz BCMYKNZTCJTKKG-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc2cn[nH]c2c1 ZINC001159662747 1132887030 /nfs/dbraw/zinc/88/70/30/1132887030.db2.gz CEBMZXMXLYZMTJ-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN Oc1ccc(Cl)cc1Nc1ccc2c[nH]nc2c1 ZINC001159663174 1132887175 /nfs/dbraw/zinc/88/71/75/1132887175.db2.gz SQRFCMUWFJKXTP-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN CCc1cc(Nc2ccc3c[nH]nc3c2)ccc1OC ZINC001159663129 1132887498 /nfs/dbraw/zinc/88/74/98/1132887498.db2.gz QORFNSYJUWCPBU-UHFFFAOYSA-N 0 1 267.332 3.878 20 0 CHADMN Cc1noc(-c2ccc(Nc3ccc4c[nH]nc4c3)cc2)n1 ZINC001174500987 1132902371 /nfs/dbraw/zinc/90/23/71/1132902371.db2.gz DALPKVSXEOKBKB-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Cc1cc(C)c(N)c(Nc2ccc3c[nH]nc3c2)c1 ZINC001174500746 1132902561 /nfs/dbraw/zinc/90/25/61/1132902561.db2.gz WRTIZFDRKVUCIS-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN CCc1ccc(OC)c(Nc2ccc3c[nH]nc3c2)c1 ZINC001174501156 1132902598 /nfs/dbraw/zinc/90/25/98/1132902598.db2.gz XNBKNCPPHKBANA-UHFFFAOYSA-N 0 1 267.332 3.878 20 0 CHADMN Cc1c(Cl)cc(N)cc1Nc1ccc2c[nH]nc2c1 ZINC001174501306 1132903496 /nfs/dbraw/zinc/90/34/96/1132903496.db2.gz LRKHRZIMNDZBGW-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Nc1ccc(Cl)c(Nc2cccc3[nH]ncc32)c1 ZINC001159870997 1132918236 /nfs/dbraw/zinc/91/82/36/1132918236.db2.gz MCGUNFNGESZDCF-UHFFFAOYSA-N 0 1 258.712 3.542 20 0 CHADMN Cc1nc2cc(Nc3ccc4sc(N)nc4c3)ccc2[nH]1 ZINC001160005520 1132934534 /nfs/dbraw/zinc/93/45/34/1132934534.db2.gz JXYJJUZBINFCAW-UHFFFAOYSA-N 0 1 295.371 3.807 20 0 CHADMN CCOC(=O)c1ccc(Nc2ccc3nc[nH]c3c2)cc1C ZINC001160224671 1132949659 /nfs/dbraw/zinc/94/96/59/1132949659.db2.gz VGKDJERANYXYCA-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN COc1c(F)ccc(F)c1Nc1nc(C(C)(C)C)ns1 ZINC001174659738 1132952559 /nfs/dbraw/zinc/95/25/59/1132952559.db2.gz BBFCAAUQNNVQEK-UHFFFAOYSA-N 0 1 299.346 3.866 20 0 CHADMN Nc1ccc(-c2cccs2)cc1Nc1ccncc1 ZINC001160316024 1132961847 /nfs/dbraw/zinc/96/18/47/1132961847.db2.gz AJUWBLIVOIZRFX-UHFFFAOYSA-N 0 1 267.357 3.558 20 0 CHADMN CC[C@@H](C(=O)Nc1cc(Cl)c(C)c(Cl)c1)N(C)C ZINC001160502383 1132973669 /nfs/dbraw/zinc/97/36/69/1132973669.db2.gz DKEFIKFVWAYKRG-LBPRGKRZSA-N 0 1 289.206 3.581 20 0 CHADMN FC1(F)CC2(CC(Nc3cc(Cl)nc4[nH]cnc43)C2)C1 ZINC001160588134 1132975221 /nfs/dbraw/zinc/97/52/21/1132975221.db2.gz NSBPUOMQPYEJOD-UHFFFAOYSA-N 0 1 298.724 3.601 20 0 CHADMN COC1CCC(CCNc2cc(C)c(C)cn2)CC1 ZINC001160643510 1132977548 /nfs/dbraw/zinc/97/75/48/1132977548.db2.gz IUGPJRAUTNFMQS-UHFFFAOYSA-N 0 1 262.397 3.706 20 0 CHADMN CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)c(O)c1 ZINC001161553841 1133005212 /nfs/dbraw/zinc/00/52/12/1133005212.db2.gz OKXGBRNBXGZPNM-WCQYABFASA-N 0 1 295.810 3.990 20 0 CHADMN Cc1cnc(NCC2(Cc3ccccc3C)CC2)c(N)c1 ZINC001161610802 1133007851 /nfs/dbraw/zinc/00/78/51/1133007851.db2.gz ZQNCHYQRSOJJFA-UHFFFAOYSA-N 0 1 281.403 3.715 20 0 CHADMN Cc1nc2ccc(N[C@@H](C)CCc3ccccc3)nc2[nH]1 ZINC001161612229 1133008879 /nfs/dbraw/zinc/00/88/79/1133008879.db2.gz FNJPXHDKEOMTMB-LBPRGKRZSA-N 0 1 280.375 3.700 20 0 CHADMN Cc1cnc(NCC2(CC3CC3)CCOCC2)cc1C ZINC001161655305 1133014159 /nfs/dbraw/zinc/01/41/59/1133014159.db2.gz FARGRTBECJMDMR-UHFFFAOYSA-N 0 1 274.408 3.707 20 0 CHADMN Cc1nc2cc(-n3c(N)nc4ccccc43)ccc2s1 ZINC001213035573 1133027298 /nfs/dbraw/zinc/02/72/98/1133027298.db2.gz UNEGPAQGXVINDZ-UHFFFAOYSA-N 0 1 280.356 3.526 20 0 CHADMN Cc1cnc(NCc2ccc3c(ccn3C)c2)c2[nH]ccc21 ZINC001162168387 1133057075 /nfs/dbraw/zinc/05/70/75/1133057075.db2.gz MNXVWQIRTSYLOV-UHFFFAOYSA-N 0 1 290.370 3.975 20 0 CHADMN Cc1cc2ccccc2c(NCc2cc3ccccn3n2)n1 ZINC001162286550 1133067082 /nfs/dbraw/zinc/06/70/82/1133067082.db2.gz LQFMHADOEIZAIJ-UHFFFAOYSA-N 0 1 288.354 3.803 20 0 CHADMN C[C@H]1CC(Nc2ccncc2C(F)(F)F)C[C@H](C)C1 ZINC001162567819 1133091366 /nfs/dbraw/zinc/09/13/66/1133091366.db2.gz JFRSWXFRKMYNRT-NXEZZACHSA-N 0 1 272.314 3.759 20 0 CHADMN FC(F)Oc1ccnc(NC[C@H]2CCC(F)(F)C2)c1 ZINC001162656044 1133101006 /nfs/dbraw/zinc/10/10/06/1133101006.db2.gz POZAVDDCCATNMK-QMMMGPOBSA-N 0 1 278.249 3.530 20 0 CHADMN Cc1c(NC(=O)C(C)(C)C)ccnc1NC(=N)C(C)(C)C ZINC001162662009 1133101847 /nfs/dbraw/zinc/10/18/47/1133101847.db2.gz MLIPZBNXDKKJIW-UHFFFAOYSA-N 0 1 290.411 3.810 20 0 CHADMN COC(=O)c1ccc(C2(Nc3nc(C)ccc3C)CC2)cc1 ZINC001162858199 1133117409 /nfs/dbraw/zinc/11/74/09/1133117409.db2.gz PRUSPCAFXLFFTP-UHFFFAOYSA-N 0 1 296.370 3.586 20 0 CHADMN O=C(NC[C@@H]1CC2CCC1CC2)c1ccc(Cl)c(O)c1 ZINC001162943784 1133123680 /nfs/dbraw/zinc/12/36/80/1133123680.db2.gz VQBHWOQDGASQJG-XIVSLSHWSA-N 0 1 293.794 3.602 20 0 CHADMN C=Cc1ccc(Nc2c(C)c(=O)[nH]n2-c2ccccc2)nc1 ZINC001163110770 1133130671 /nfs/dbraw/zinc/13/06/71/1133130671.db2.gz HQOLMIBBXCKAGP-UHFFFAOYSA-N 0 1 292.342 3.668 20 0 CHADMN CC(C)Oc1ccnc(N[C@H]2CCc3c2cccc3O)c1 ZINC001163193458 1133134754 /nfs/dbraw/zinc/13/47/54/1133134754.db2.gz AIICNVWJTKGINA-HNNXBMFYSA-N 0 1 284.359 3.674 20 0 CHADMN Clc1cc2nc[nH]c2nc1N[C@H]1CCCC12CCC2 ZINC001163518726 1133155474 /nfs/dbraw/zinc/15/54/74/1133155474.db2.gz UVMIWYWVXDUCOJ-NSHDSACASA-N 0 1 276.771 3.746 20 0 CHADMN CCOc1cccc(CCNc2ncc(C)c3cc[nH]c32)c1 ZINC001163711902 1133167630 /nfs/dbraw/zinc/16/76/30/1133167630.db2.gz ITNXLYIDNSPUPX-UHFFFAOYSA-N 0 1 295.386 3.925 20 0 CHADMN Cc1cc(C)cc(CNc2nc(C)cc(NC3CC3)n2)c1 ZINC001163749772 1133171143 /nfs/dbraw/zinc/17/11/43/1133171143.db2.gz UPCSVZCRVAYCBJ-UHFFFAOYSA-N 0 1 282.391 3.588 20 0 CHADMN Cc1cc(C)cc(CNc2cnccc2/C=C/N(C)C)c1 ZINC001163755392 1133172004 /nfs/dbraw/zinc/17/20/04/1133172004.db2.gz DKPFHFNFVHNTMQ-SOFGYWHQSA-N 0 1 281.403 3.843 20 0 CHADMN Cc1cc(C)cc(CNc2cc(OC(F)F)ccn2)c1 ZINC001163753728 1133172007 /nfs/dbraw/zinc/17/20/07/1133172007.db2.gz XZHPEQJAVSASLJ-UHFFFAOYSA-N 0 1 278.302 3.912 20 0 CHADMN CC(C)(Cc1ccc(F)cc1)Nc1ccnc2[nH]cnc21 ZINC001163853055 1133180259 /nfs/dbraw/zinc/18/02/59/1133180259.db2.gz NQHGCQYGENVEQU-UHFFFAOYSA-N 0 1 284.338 3.530 20 0 CHADMN CC[C@H](C)CCCCC(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC001163930870 1133184700 /nfs/dbraw/zinc/18/47/00/1133184700.db2.gz YFAXRNOKDLRCFJ-HOTGVXAUSA-N 0 1 296.499 3.782 20 0 CHADMN COC1(C)CCN(c2nc(C)cc3ccccc32)CC1 ZINC001163945832 1133186129 /nfs/dbraw/zinc/18/61/29/1133186129.db2.gz QFIWYSCTWDUVBB-UHFFFAOYSA-N 0 1 270.376 3.549 20 0 CHADMN Cc1cnc(NCCOc2ccccc2F)c2[nH]ccc21 ZINC001163950616 1133186703 /nfs/dbraw/zinc/18/67/03/1133186703.db2.gz OTIUYNGMXNCOOJ-UHFFFAOYSA-N 0 1 285.322 3.501 20 0 CHADMN Cc1cc(C)nc(N2CC[C@@H](C)C(F)(F)CC2)c1 ZINC001164109102 1133197757 /nfs/dbraw/zinc/19/77/57/1133197757.db2.gz FZYSPPJHASVLIH-LLVKDONJSA-N 0 1 254.324 3.570 20 0 CHADMN C[C@@H](Nc1ncc2nc[nH]c2n1)c1ccc2ccccc2c1 ZINC001164139258 1133200966 /nfs/dbraw/zinc/20/09/66/1133200966.db2.gz NPQTXDGVYSZPCI-LLVKDONJSA-N 0 1 289.342 3.631 20 0 CHADMN CNc1ccc(CNc2ncc(C)c3cc[nH]c32)cc1 ZINC001164151189 1133201319 /nfs/dbraw/zinc/20/13/19/1133201319.db2.gz JIXDQOIDIZIUHS-UHFFFAOYSA-N 0 1 266.348 3.525 20 0 CHADMN Cc1cnc(NCCSCc2ccco2)c2[nH]ccc21 ZINC001164220231 1133207077 /nfs/dbraw/zinc/20/70/77/1133207077.db2.gz INBASOMWJLCXIZ-UHFFFAOYSA-N 0 1 287.388 3.810 20 0 CHADMN CCCCN1C(=O)N=NC1SCCCC(C)(C)C ZINC001164547838 1133222514 /nfs/dbraw/zinc/22/25/14/1133222514.db2.gz QTLDQIATLLLTTC-UHFFFAOYSA-N 0 1 271.430 3.702 20 0 CHADMN CC[C@H](C)[C@@H](Sc1nc2ccc(C)cc2[nH]1)C(=O)OC ZINC001164573020 1133224143 /nfs/dbraw/zinc/22/41/43/1133224143.db2.gz QYPIRBPMVKGTIK-GXFFZTMASA-N 0 1 292.404 3.551 20 0 CHADMN Cc1cc2ccccc2c(N2C[C@H]3[C@H](CC3(F)F)C2)n1 ZINC001165295634 1133237815 /nfs/dbraw/zinc/23/78/15/1133237815.db2.gz QLZQWOXDDOABQC-OCCSQVGLSA-N 0 1 274.314 3.635 20 0 CHADMN Clc1cc(N2CCC3(CCCC3)CC2)c2nc[nH]c2n1 ZINC001165323177 1133239452 /nfs/dbraw/zinc/23/94/52/1133239452.db2.gz KZPYCMRYKYHREF-UHFFFAOYSA-N 0 1 290.798 3.772 20 0 CHADMN Cc1nc([C@H](C)S[C@@H](C)c2ccccc2F)n[nH]1 ZINC001165593579 1133246091 /nfs/dbraw/zinc/24/60/91/1133246091.db2.gz MOSXGZCWURILNP-IUCAKERBSA-N 0 1 265.357 3.808 20 0 CHADMN CSc1ccc(Cl)c(NC(=O)c2[nH]c(C)nc2C)c1 ZINC001166463543 1133265696 /nfs/dbraw/zinc/26/56/96/1133265696.db2.gz CSWJHNPCSHZDLB-UHFFFAOYSA-N 0 1 295.795 3.654 20 0 CHADMN COc1ccnc(N2CCC(CCc3ccccc3)CC2)c1 ZINC001166571502 1133271749 /nfs/dbraw/zinc/27/17/49/1133271749.db2.gz OQXYIBJUZZAHPT-UHFFFAOYSA-N 0 1 296.414 3.939 20 0 CHADMN COC(C)(C)[C@@H]1CCCN1c1nc(C)cc2ccccc21 ZINC001166796354 1133287929 /nfs/dbraw/zinc/28/79/29/1133287929.db2.gz WDRLDRYKCPOOKS-INIZCTEOSA-N 0 1 284.403 3.937 20 0 CHADMN Cc1c2nc[nH]c2ccc1NCCc1ccsc1 ZINC001166803018 1133288040 /nfs/dbraw/zinc/28/80/40/1133288040.db2.gz JMWUIMAPCFNJKQ-UHFFFAOYSA-N 0 1 257.362 3.587 20 0 CHADMN CC(C)(C)Oc1ccnc(NCCc2ccsc2)c1 ZINC001166866116 1133292467 /nfs/dbraw/zinc/29/24/67/1133292467.db2.gz WRLXUEYSRLZOGB-UHFFFAOYSA-N 0 1 276.405 3.975 20 0 CHADMN Cc1ccc2nc(N)n(-c3coc4ccccc43)c2c1 ZINC001203147407 1133301673 /nfs/dbraw/zinc/30/16/73/1133301673.db2.gz ZZYZUNHPTSMPBV-UHFFFAOYSA-N 0 1 263.300 3.662 20 0 CHADMN CCc1cc(CN2CC[C@@H](c3cccc(Cl)c3)C2)on1 ZINC001203226360 1133305924 /nfs/dbraw/zinc/30/59/24/1133305924.db2.gz LUOZCJYNMJVXPX-CYBMUJFWSA-N 0 1 290.794 3.880 20 0 CHADMN F[C@H]1CCCC[C@H]1NCc1sccc1Br ZINC001203313761 1133313306 /nfs/dbraw/zinc/31/33/06/1133313306.db2.gz DVWJYEDZSWOGGA-VHSXEESVSA-N 0 1 292.217 3.881 20 0 CHADMN Cc1ccc2[nH]c(NCc3ccc(Cl)nc3)nc2c1 ZINC001203478805 1133332003 /nfs/dbraw/zinc/33/20/03/1133332003.db2.gz JCIAOQAFEOWDMR-UHFFFAOYSA-N 0 1 272.739 3.532 20 0 CHADMN COc1ccc2c(c1)nccc2-n1c(N)cc2ccccc21 ZINC001203522940 1133334858 /nfs/dbraw/zinc/33/48/58/1133334858.db2.gz NWALKOPKZMWDJQ-UHFFFAOYSA-N 0 1 289.338 3.770 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccn2nccc12 ZINC001203524870 1133335256 /nfs/dbraw/zinc/33/52/56/1133335256.db2.gz FMOFUWXFHXJDAN-UHFFFAOYSA-N 0 1 290.326 3.635 20 0 CHADMN Cc1cccc(CNCc2ccc(O)c(Cl)c2)c1F ZINC001203559905 1133340886 /nfs/dbraw/zinc/34/08/86/1133340886.db2.gz ZFRYZIOWXYBLJH-UHFFFAOYSA-N 0 1 279.742 3.783 20 0 CHADMN Cc1nc2ccccn2c1CNc1ccc2c(n1)CCCC2 ZINC001203572841 1133342185 /nfs/dbraw/zinc/34/21/85/1133342185.db2.gz QKCAULGKIYZTSB-UHFFFAOYSA-N 0 1 292.386 3.529 20 0 CHADMN Fc1ccc(/C=C/CNCc2noc3ccccc23)cc1 ZINC001203652072 1133348033 /nfs/dbraw/zinc/34/80/33/1133348033.db2.gz PDPXGLQJYHBFBQ-ONEGZZNKSA-N 0 1 282.318 3.770 20 0 CHADMN COc1cc(C)c(CN2CC3(C2)CC(F)(F)C3)cc1C ZINC001203752216 1133364832 /nfs/dbraw/zinc/36/48/32/1133364832.db2.gz KZPCBLIIXXUNBH-UHFFFAOYSA-N 0 1 281.346 3.543 20 0 CHADMN COc1ccc(C[N@H+]2CCCC3(CCCC3)C2)cc1F ZINC001203787910 1133368262 /nfs/dbraw/zinc/36/82/62/1133368262.db2.gz ACEUJLLCCZDRGM-UHFFFAOYSA-N 0 1 277.383 3.991 20 0 CHADMN CCOC(=O)[C@H]1CCCN(Cc2cccc(Cl)c2)[C@@H]1C ZINC001203800062 1133369849 /nfs/dbraw/zinc/36/98/49/1133369849.db2.gz HOVKOZGITPTWQO-DOMZBBRYSA-N 0 1 295.810 3.504 20 0 CHADMN FC[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC001203886042 1133379127 /nfs/dbraw/zinc/37/91/27/1133379127.db2.gz MNVJUQOUEYMSQH-GFCCVEGCSA-N 0 1 275.289 3.887 20 0 CHADMN FC(F)(F)c1cccc(CN2CC[C@H]3CCCO[C@@H]3C2)c1 ZINC001203884580 1133379227 /nfs/dbraw/zinc/37/92/27/1133379227.db2.gz CYYUJCMCQZQGHF-UKRRQHHQSA-N 0 1 299.336 3.706 20 0 CHADMN C[C@@H]1CN(Cc2ccc3ccccc3c2)CCCC1=O ZINC001203997801 1133396212 /nfs/dbraw/zinc/39/62/12/1133396212.db2.gz GCAZLDDKXBSXHW-CQSZACIVSA-N 0 1 267.372 3.641 20 0 CHADMN Clc1ccc(C2=CCN(Cc3ccc[nH]3)CC2)cc1 ZINC001204006971 1133397745 /nfs/dbraw/zinc/39/77/45/1133397745.db2.gz MWBONMJQQOMCLK-UHFFFAOYSA-N 0 1 272.779 3.957 20 0 CHADMN CC(C)[C@H]1CN(Cc2ccc3ccccc3c2)CCO1 ZINC001204000265 1133397798 /nfs/dbraw/zinc/39/77/98/1133397798.db2.gz ZWZOKKYWUYQNKC-GOSISDBHSA-N 0 1 269.388 3.697 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1ccc2ccccc2c1 ZINC001203999905 1133397937 /nfs/dbraw/zinc/39/79/37/1133397937.db2.gz SAJZSZSUXURYDG-SFHVURJKSA-N 0 1 267.372 3.783 20 0 CHADMN c1ccc2cc(CN3CCCCC34COC4)ccc2c1 ZINC001204000857 1133398499 /nfs/dbraw/zinc/39/84/99/1133398499.db2.gz RANPFHMUXZTBNO-UHFFFAOYSA-N 0 1 267.372 3.595 20 0 CHADMN Cc1cccnc1[C@@H](C)NCc1cccc2c1CCC2 ZINC001204039538 1133402635 /nfs/dbraw/zinc/40/26/35/1133402635.db2.gz VSSWWTTUQZBXAW-CQSZACIVSA-N 0 1 266.388 3.730 20 0 CHADMN Cc1ccc(CN(C)Cc2c[nH]c3ccccc23)cn1 ZINC001204046530 1133403319 /nfs/dbraw/zinc/40/33/19/1133403319.db2.gz RPDUFFNVXKVYQS-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN OC[C@H]1C[C@H](F)CN(Cc2ccc(-c3ccccc3)cc2)C1 ZINC001204133847 1133408693 /nfs/dbraw/zinc/40/86/93/1133408693.db2.gz FTNBODRHCGROOW-LPHOPBHVSA-N 0 1 299.389 3.506 20 0 CHADMN CCCn1cncc1CN1CCC(C2CCCC2)CC1 ZINC001204153379 1133411747 /nfs/dbraw/zinc/41/17/47/1133411747.db2.gz FHKHAKZQNYRGRN-UHFFFAOYSA-N 0 1 275.440 3.695 20 0 CHADMN CC(C)c1ccc(CN2CCc3cnccc3C2)cc1 ZINC001204165187 1133413652 /nfs/dbraw/zinc/41/36/52/1133413652.db2.gz SZYOTNKFAZTOJB-UHFFFAOYSA-N 0 1 266.388 3.763 20 0 CHADMN CCN(Cc1ccoc1)Cc1cc(C)ccc1NC ZINC001204186420 1133416160 /nfs/dbraw/zinc/41/61/60/1133416160.db2.gz ATMOAIBYXWMUCO-UHFFFAOYSA-N 0 1 258.365 3.652 20 0 CHADMN c1cc(CN2CCC(c3nc4ccccc4o3)CC2)co1 ZINC001204241194 1133424671 /nfs/dbraw/zinc/42/46/71/1133424671.db2.gz ZUWNXBITNOFDNP-UHFFFAOYSA-N 0 1 282.343 3.800 20 0 CHADMN Cc1[nH]c2ccccc2c1C[N@H+]1CC2CCC1CC2 ZINC001204293693 1133430872 /nfs/dbraw/zinc/43/08/72/1133430872.db2.gz HVMOJOBGJGIAGG-UHFFFAOYSA-N 0 1 254.377 3.851 20 0 CHADMN CCOc1ccc(CN2CCC[C@H](C(F)F)C2)cc1OC ZINC001204360318 1133440904 /nfs/dbraw/zinc/44/09/04/1133440904.db2.gz MLKJCBBFPLAUJZ-ZDUSSCGKSA-N 0 1 299.361 3.571 20 0 CHADMN CC(=O)n1cc(CN(C)Cc2cccs2)c2ccccc21 ZINC001204406247 1133443139 /nfs/dbraw/zinc/44/31/39/1133443139.db2.gz BBAIOYITYGRNOZ-UHFFFAOYSA-N 0 1 298.411 3.995 20 0 CHADMN CC[C@H](C)CN(CC)Cc1cccnc1Br ZINC001204402134 1133443511 /nfs/dbraw/zinc/44/35/11/1133443511.db2.gz NZTOKOKSQPOAHE-NSHDSACASA-N 0 1 285.229 3.712 20 0 CHADMN CC1(C)CCN(Cc2ccccc2OC(F)(F)F)C1 ZINC001204426056 1133445309 /nfs/dbraw/zinc/44/53/09/1133445309.db2.gz LSNJZAOPKSAITA-UHFFFAOYSA-N 0 1 273.298 3.817 20 0 CHADMN Fc1ccc(CN2CCCCC23CC3)c(Cl)c1 ZINC001204438726 1133447920 /nfs/dbraw/zinc/44/79/20/1133447920.db2.gz JDGNALFBPDSSCY-UHFFFAOYSA-N 0 1 253.748 3.998 20 0 CHADMN CC(C)Oc1ccc(CN2CCC[C@H]2c2cnccn2)cc1 ZINC001204455170 1133449782 /nfs/dbraw/zinc/44/97/82/1133449782.db2.gz QJNCKGXINVNZRZ-SFHVURJKSA-N 0 1 297.402 3.601 20 0 CHADMN CCN(Cc1ccc2c(c1)CCO2)Cc1ccccc1F ZINC001204490802 1133453254 /nfs/dbraw/zinc/45/32/54/1133453254.db2.gz DRQQKKPJNDAGNK-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN CCN(Cc1ccncc1)Cc1cccc(F)c1C ZINC001204507198 1133454823 /nfs/dbraw/zinc/45/48/23/1133454823.db2.gz UWOCKLCBBKNKLA-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN Cc1cc(CN2CCN([C@H](C)c3ccccc3)CC2)oc1C ZINC001204532331 1133459289 /nfs/dbraw/zinc/45/92/89/1133459289.db2.gz DRZGPVDIMALYTH-MRXNPFEDSA-N 0 1 298.430 3.775 20 0 CHADMN COc1ccc(CN2CCS[C@H]3CCCC[C@@H]32)c(F)c1 ZINC001204543178 1133460638 /nfs/dbraw/zinc/46/06/38/1133460638.db2.gz MFEDOJOFCMMWPA-HOTGVXAUSA-N 0 1 295.423 3.694 20 0 CHADMN C[C@@H]1CN(Cc2cc(F)ccc2Br)C2(CC2)C1 ZINC001204542791 1133461275 /nfs/dbraw/zinc/46/12/75/1133461275.db2.gz NJGXWGWNYRGOLE-JTQLQIEISA-N 0 1 298.199 3.963 20 0 CHADMN C[C@H]1CN(Cc2cc(Cl)ccc2Cl)CCC[C@@H]1O ZINC001204562762 1133462590 /nfs/dbraw/zinc/46/25/90/1133462590.db2.gz QMRLDSOMSDUVEH-HZMBPMFUSA-N 0 1 288.218 3.586 20 0 CHADMN CCN(Cc1cnn(C)c1)[C@@H](C)c1nccc2ccccc21 ZINC001204564703 1133463044 /nfs/dbraw/zinc/46/30/44/1133463044.db2.gz JCKPMTVZLWRVID-AWEZNQCLSA-N 0 1 294.402 3.551 20 0 CHADMN C[N@H+]1CCN(Cc2cc(Cl)ccc2Cl)CC1(C)C ZINC001204568547 1133464021 /nfs/dbraw/zinc/46/40/21/1133464021.db2.gz KNTQMVAXSHEGKT-UHFFFAOYSA-N 0 1 287.234 3.519 20 0 CHADMN CCOC(=O)[C@H]1CCCCN1C[C@@H](C)c1ccc(C)cc1 ZINC001204601846 1133466671 /nfs/dbraw/zinc/46/66/71/1133466671.db2.gz PDFOTJMRPLBLRE-NVXWUHKLSA-N 0 1 289.419 3.516 20 0 CHADMN C[C@H](c1ccccn1)[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001204645312 1133471366 /nfs/dbraw/zinc/47/13/66/1133471366.db2.gz RDIQXRXYLVIXEZ-AEFFLSMTSA-N 0 1 296.414 3.824 20 0 CHADMN CCN(Cc1cc(OC)c(OC)cc1Cl)C1CCC1 ZINC001204679771 1133475074 /nfs/dbraw/zinc/47/50/74/1133475074.db2.gz AEYNMJRVDYUUFQ-UHFFFAOYSA-N 0 1 283.799 3.732 20 0 CHADMN CC[C@](C)(C[N@@H+](C)[C@H](C)c1cc(F)ccc1F)OC ZINC001204730755 1133479572 /nfs/dbraw/zinc/47/95/72/1133479572.db2.gz VVHVSEOPYWTDDK-IAQYHMDHSA-N 0 1 271.351 3.773 20 0 CHADMN COCCN(C)Cc1ccc(-c2cccc(Cl)c2)o1 ZINC001204695716 1133477228 /nfs/dbraw/zinc/47/72/28/1133477228.db2.gz ZCDNJTSXBAGMEV-UHFFFAOYSA-N 0 1 279.767 3.678 20 0 CHADMN Cc1ncsc1CN(C)Cc1ccc2scnc2c1 ZINC001204790528 1133485439 /nfs/dbraw/zinc/48/54/39/1133485439.db2.gz MGJJMODVFXWTBU-UHFFFAOYSA-N 0 1 289.429 3.693 20 0 CHADMN C[C@@H]1OCCN(CCc2ccc(C(C)(C)C)cc2)[C@H]1C ZINC001204817181 1133488727 /nfs/dbraw/zinc/48/87/27/1133488727.db2.gz RDWAQCHCGBHWLV-GJZGRUSLSA-N 0 1 275.436 3.636 20 0 CHADMN CC(C)C[C@H](C)CN1CCO[C@H](c2ccc(F)cc2)C1 ZINC001204834107 1133490295 /nfs/dbraw/zinc/49/02/95/1133490295.db2.gz URGXFOCCUQQTKL-YOEHRIQHSA-N 0 1 279.399 3.881 20 0 CHADMN CCCn1cc(CN(C2CC2)C2CCC(CC)CC2)nn1 ZINC001204892396 1133497528 /nfs/dbraw/zinc/49/75/28/1133497528.db2.gz WRNMYOMULXRQQV-UHFFFAOYSA-N 0 1 290.455 3.621 20 0 CHADMN COCOc1ccc(-c2ccc3nc[nH]c3c2)cc1Cl ZINC001205028956 1133518700 /nfs/dbraw/zinc/51/87/00/1133518700.db2.gz BDGYVGQICOLCDF-UHFFFAOYSA-N 0 1 288.734 3.866 20 0 CHADMN Fc1cc(F)c(-c2cccn3cncc23)c(F)c1F ZINC001205186309 1133543301 /nfs/dbraw/zinc/54/33/01/1133543301.db2.gz TVAAKNDUGBQCPU-UHFFFAOYSA-N 0 1 266.197 3.558 20 0 CHADMN Cc1cc(CN2CC[C@@H](C(=O)c3ccccc3)C2)ccc1F ZINC001205199167 1133545356 /nfs/dbraw/zinc/54/53/56/1133545356.db2.gz YRYIZJXGTBOCMI-QGZVFWFLSA-N 0 1 297.373 3.839 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1Cc1ccc(O)c(F)c1 ZINC001205253794 1133550501 /nfs/dbraw/zinc/55/05/01/1133550501.db2.gz NLKMYABIPOJDIN-MRXNPFEDSA-N 0 1 285.362 3.868 20 0 CHADMN CCSCCO[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001205348245 1133566894 /nfs/dbraw/zinc/56/68/94/1133566894.db2.gz APUWCELSMSJEME-AWEZNQCLSA-N 0 1 299.867 3.684 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2cccnc2Br)C1 ZINC001205434481 1133577263 /nfs/dbraw/zinc/57/72/63/1133577263.db2.gz NTQIYHIQJOZVQN-LBPRGKRZSA-N 0 1 297.240 3.712 20 0 CHADMN CCn1ccc(CN2CC[C@H](C)C3(CCCCC3)C2)n1 ZINC001205486278 1133581703 /nfs/dbraw/zinc/58/17/03/1133581703.db2.gz LBZHGOQNLASTRP-HNNXBMFYSA-N 0 1 275.440 3.695 20 0 CHADMN O=C1CCN(Cc2ccc3[nH]ccc3c2)[C@@H]2CCCC[C@@H]12 ZINC001205563197 1133588294 /nfs/dbraw/zinc/58/82/94/1133588294.db2.gz LBMNEKSDFCEMJD-NVXWUHKLSA-N 0 1 282.387 3.502 20 0 CHADMN Cc1nc2c(cncc2-c2ccc(F)c(F)c2Cl)[nH]1 ZINC001205727109 1133606941 /nfs/dbraw/zinc/60/69/41/1133606941.db2.gz UAZBELOGUXMHGD-UHFFFAOYSA-N 0 1 279.677 3.865 20 0 CHADMN Cc1nc2c[nH]cc(-c3ccc(F)c(F)c3Cl)c-2n1 ZINC001205727109 1133606945 /nfs/dbraw/zinc/60/69/45/1133606945.db2.gz UAZBELOGUXMHGD-UHFFFAOYSA-N 0 1 279.677 3.865 20 0 CHADMN Cc1cccnc1C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC001205769895 1133611073 /nfs/dbraw/zinc/61/10/73/1133611073.db2.gz IMJJOVLHWPFBFJ-CQSZACIVSA-N 0 1 252.361 3.509 20 0 CHADMN Nc1[nH]c2ccc(-c3ccc4cc(O)ccc4c3)cc2[nH+]1 ZINC001205771791 1133611411 /nfs/dbraw/zinc/61/14/11/1133611411.db2.gz GZILKKRZKQQVCW-UHFFFAOYSA-N 0 1 275.311 3.671 20 0 CHADMN CCOc1c(F)c(F)ccc1-c1cncc2cc[nH]c21 ZINC001205804504 1133616388 /nfs/dbraw/zinc/61/63/88/1133616388.db2.gz JQQYMNSPTAIQGX-UHFFFAOYSA-N 0 1 274.270 3.907 20 0 CHADMN Cc1cc(C)c(/C=C\CN(C(C)C)C2COC2)cc1C ZINC001205959406 1133634823 /nfs/dbraw/zinc/63/48/23/1133634823.db2.gz DCDOZSHYORWTHV-SREVYHEPSA-N 0 1 273.420 3.734 20 0 CHADMN C[C@H]1CN(Cc2cnc(-c3ccccc3F)s2)[C@H]1C ZINC001206014346 1133642017 /nfs/dbraw/zinc/64/20/17/1133642017.db2.gz DRANICJYXIYLDK-QWRGUYRKSA-N 0 1 276.380 3.789 20 0 CHADMN Fc1ccc(Cl)cc1CN1CC[C@@H](COCC2CC2)C1 ZINC001206028730 1133644390 /nfs/dbraw/zinc/64/43/90/1133644390.db2.gz ZIASMSYBVBNXDB-CYBMUJFWSA-N 0 1 297.801 3.728 20 0 CHADMN CSc1ccc(-c2[nH]ccc3ncnc2-3)c(C)c1 ZINC001206063692 1133652033 /nfs/dbraw/zinc/65/20/33/1133652033.db2.gz HGQBWKFGPKWFSY-UHFFFAOYSA-N 0 1 255.346 3.655 20 0 CHADMN CSc1ccc(-c2nccc3[nH]cnc32)c(C)c1 ZINC001206063692 1133652034 /nfs/dbraw/zinc/65/20/34/1133652034.db2.gz HGQBWKFGPKWFSY-UHFFFAOYSA-N 0 1 255.346 3.655 20 0 CHADMN Fc1cc(-c2cccc3nc[nH]c32)cc(N2CCCC2)c1 ZINC001206113854 1133659182 /nfs/dbraw/zinc/65/91/82/1133659182.db2.gz NYSDARSXJCYPKF-UHFFFAOYSA-N 0 1 281.334 3.969 20 0 CHADMN CCC1(CC)CN(Cc2cnn(-c3ccccc3C)c2)C1 ZINC001206174008 1133667316 /nfs/dbraw/zinc/66/73/16/1133667316.db2.gz FZUPAAKLPAULEO-UHFFFAOYSA-N 0 1 283.419 3.803 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1sc(C)nc1C ZINC001206179577 1133667561 /nfs/dbraw/zinc/66/75/61/1133667561.db2.gz WIZWWWBGICCLAS-GFCCVEGCSA-N 0 1 290.432 3.962 20 0 CHADMN CCn1ccc(CN2CC3(CCCCC3)[C@@H]2C(C)C)n1 ZINC001206214869 1133671017 /nfs/dbraw/zinc/67/10/17/1133671017.db2.gz FYMKMCXMPFENAH-INIZCTEOSA-N 0 1 275.440 3.694 20 0 CHADMN C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc([O-])c(F)c1 ZINC001206232294 1133673693 /nfs/dbraw/zinc/67/36/93/1133673693.db2.gz IHSILJHWQBYIFP-GFCCVEGCSA-N 0 1 291.341 3.733 20 0 CHADMN C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc([O-])c(F)c1 ZINC001206232294 1133673697 /nfs/dbraw/zinc/67/36/97/1133673697.db2.gz IHSILJHWQBYIFP-GFCCVEGCSA-N 0 1 291.341 3.733 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2ccn(C)n2)cc1C ZINC001206310149 1133688005 /nfs/dbraw/zinc/68/80/05/1133688005.db2.gz XJYQPEPJFHMWCN-SFHVURJKSA-N 0 1 283.419 3.764 20 0 CHADMN COCc1cc(C)c(-c2cc3[nH]nnc3cc2F)c(C)c1 ZINC001206324152 1133690103 /nfs/dbraw/zinc/69/01/03/1133690103.db2.gz PHYWDINOBCWZCC-UHFFFAOYSA-N 0 1 285.322 3.527 20 0 CHADMN COc1cnccc1CN1CCC(Cc2ccccc2)CC1 ZINC001206438028 1133702325 /nfs/dbraw/zinc/70/23/25/1133702325.db2.gz KDWABRLHOSIKPY-UHFFFAOYSA-N 0 1 296.414 3.545 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1ccncc1OC ZINC001206480501 1133708341 /nfs/dbraw/zinc/70/83/41/1133708341.db2.gz ZRDUJGTYNJJKMN-MRXNPFEDSA-N 0 1 270.376 3.673 20 0 CHADMN CC[C@H]1CN(Cc2[nH]ncc2C)c2cccc(Cl)c2O1 ZINC001206513967 1133712706 /nfs/dbraw/zinc/71/27/06/1133712706.db2.gz JTXQDAJVMIKGBJ-NSHDSACASA-N 0 1 291.782 3.549 20 0 CHADMN CN(C)Cc1cc(-c2cc3n[nH]cc3c(F)c2)ccc1F ZINC001206608447 1133727133 /nfs/dbraw/zinc/72/71/33/1133727133.db2.gz HASBNAUURFETRX-UHFFFAOYSA-N 0 1 287.313 3.570 20 0 CHADMN CCc1ccc(C)nc1N[C@H]1CC[C@@H](C)SC1 ZINC001206661046 1133730987 /nfs/dbraw/zinc/73/09/87/1133730987.db2.gz NLWCZHGMRHCLJW-YPMHNXCESA-N 0 1 250.411 3.648 20 0 CHADMN COc1cc(C)ccc1CN1CC[C@@H](F)C(F)(F)CC1 ZINC001206741245 1133738722 /nfs/dbraw/zinc/73/87/22/1133738722.db2.gz PTJXIIUHONFOPF-CQSZACIVSA-N 0 1 287.325 3.573 20 0 CHADMN Oc1cc(F)c(-c2nccc(C(F)(F)F)c2F)cc1F ZINC001206755939 1133742527 /nfs/dbraw/zinc/74/25/27/1133742527.db2.gz QZPWNXOJSCJDBP-UHFFFAOYSA-N 0 1 293.166 3.890 20 0 CHADMN CCO[C@H]1C[C@H](NCC(F)(F)C(C)(C)C)C12CCCC2 ZINC001206763147 1133744994 /nfs/dbraw/zinc/74/49/94/1133744994.db2.gz VJTBWFVVIMNHPT-STQMWFEESA-N 0 1 289.410 3.995 20 0 CHADMN Cc1cc2cnc(-c3cc(F)c(O)cc3F)nc2s1 ZINC001206768571 1133745516 /nfs/dbraw/zinc/74/55/16/1133745516.db2.gz YRQJREMBDGAOCB-UHFFFAOYSA-N 0 1 278.283 3.651 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1cccc(OCC2CC2)c1 ZINC001206771251 1133746920 /nfs/dbraw/zinc/74/69/20/1133746920.db2.gz UNLUQONHDAQCRP-UHFFFAOYSA-N 0 1 283.306 3.553 20 0 CHADMN COc1cccc2c1CCN(Cc1ccc(C)cc1OC)C2 ZINC001206783073 1133748929 /nfs/dbraw/zinc/74/89/29/1133748929.db2.gz PGKFIOWXBTZMEQ-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN CC1CCN(Cc2cc(-c3ccc(F)cc3)on2)CC1 ZINC001206834546 1133754708 /nfs/dbraw/zinc/75/47/08/1133754708.db2.gz ONBBCDXOKLSBMJ-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(F)cn1 ZINC001207042763 1133761742 /nfs/dbraw/zinc/76/17/42/1133761742.db2.gz MHTVHZDYHIOJOQ-INIZCTEOSA-N 0 1 258.340 3.804 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2ncc3ccccn32)c1 ZINC001207049283 1133762525 /nfs/dbraw/zinc/76/25/25/1133762525.db2.gz RHIHHKMPELWUOJ-SFHVURJKSA-N 0 1 291.398 3.980 20 0 CHADMN CCc1nccc(CN2CCC[C@H]2c2ccc(C)cc2)n1 ZINC001207085378 1133765939 /nfs/dbraw/zinc/76/59/39/1133765939.db2.gz BUZZTMVJNDIRMB-KRWDZBQOSA-N 0 1 281.403 3.685 20 0 CHADMN CCc1nccc(CN(C)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC001207087515 1133765995 /nfs/dbraw/zinc/76/59/95/1133765995.db2.gz AGZIWXXRYUFURW-LBPRGKRZSA-N 0 1 289.810 3.885 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1ncc(F)cc1F ZINC001207098436 1133768040 /nfs/dbraw/zinc/76/80/40/1133768040.db2.gz RFGZANNPLPANQT-GFCCVEGCSA-N 0 1 254.324 3.514 20 0 CHADMN CN(Cc1c(F)cccc1OC(F)F)C(C)(C)C ZINC001207112403 1133768877 /nfs/dbraw/zinc/76/88/77/1133768877.db2.gz LKOGFHMOOSPFRG-UHFFFAOYSA-N 0 1 261.287 3.657 20 0 CHADMN Fc1cccc(OC(F)F)c1CN1CC2CCC1CC2 ZINC001207118996 1133769217 /nfs/dbraw/zinc/76/92/17/1133769217.db2.gz URNYRQUACLBQJE-UHFFFAOYSA-N 0 1 285.309 3.802 20 0 CHADMN Clc1ccc([C@H]2C[C@H]2CN2CC3(C2)CCCCO3)cc1 ZINC001207182988 1133776009 /nfs/dbraw/zinc/77/60/09/1133776009.db2.gz WHTDJKTZROMBHN-GOEBONIOSA-N 0 1 291.822 3.698 20 0 CHADMN COC[C@H](CC(C)(C)C)N[C@@H](CF)c1ccc(F)cc1 ZINC001207224950 1133779611 /nfs/dbraw/zinc/77/96/11/1133779611.db2.gz CBQDAXBKIMBSCZ-GJZGRUSLSA-N 0 1 285.378 3.877 20 0 CHADMN COc1cc2c(cc1OC)CN(CCC1CCCCC1)C2 ZINC001207259827 1133782454 /nfs/dbraw/zinc/78/24/54/1133782454.db2.gz LGVYUNQVNQCIGG-UHFFFAOYSA-N 0 1 289.419 3.990 20 0 CHADMN CC1=CC[C@H](CCN2Cc3ccncc3C2)C1(C)C ZINC001207280915 1133787014 /nfs/dbraw/zinc/78/70/14/1133787014.db2.gz TYWWFUZYZXOHBO-MRXNPFEDSA-N 0 1 256.393 3.780 20 0 CHADMN Cc1ccnc(CN[C@H](C)c2nccc3ccccc32)c1 ZINC001207382212 1133797252 /nfs/dbraw/zinc/79/72/52/1133797252.db2.gz RJFHWPOLHDXOEM-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN Oc1cccc2c1CCN(CCc1cccc(Cl)c1)C2 ZINC001207421386 1133799593 /nfs/dbraw/zinc/79/95/93/1133799593.db2.gz VOTKJQJYGZGKMN-UHFFFAOYSA-N 0 1 287.790 3.646 20 0 CHADMN F[C@@H]1COc2ccccc2[C@@H]1NC[C@H]1C[C@H]1c1ccccc1 ZINC001207534942 1133817142 /nfs/dbraw/zinc/81/71/42/1133817142.db2.gz BTHYRCFOGWHKHB-XZKMEQPCSA-N 0 1 297.373 3.852 20 0 CHADMN COc1ccc2c(c1)C[N@H+](CCc1cccc(C)c1)C2 ZINC001207539172 1133817811 /nfs/dbraw/zinc/81/78/11/1133817811.db2.gz ZBCPNEGEYCYDPO-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN COc1ccc2c(c1)CN(CCc1cccc(C)c1)C2 ZINC001207539172 1133817816 /nfs/dbraw/zinc/81/78/16/1133817816.db2.gz ZBCPNEGEYCYDPO-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN Cc1cnn(C)c1CN1CC=C(c2cccc(C)c2C)CC1 ZINC001207763078 1133846654 /nfs/dbraw/zinc/84/66/54/1133846654.db2.gz JXICTWQTAHENPX-UHFFFAOYSA-N 0 1 295.430 3.635 20 0 CHADMN Cc1ccc(CCCN2CCC(=O)[C@@H](C)C23CCCC3)o1 ZINC001207950226 1133870318 /nfs/dbraw/zinc/87/03/18/1133870318.db2.gz PXIAREIHRLQYFB-OAHLLOKOSA-N 0 1 289.419 3.744 20 0 CHADMN CC[C@H]1CO[C@](C)(CCC(C)C)N1CCCn1cccn1 ZINC001208079870 1133875256 /nfs/dbraw/zinc/87/52/56/1133875256.db2.gz XYZBUEYXRXROBU-DLBZAZTESA-N 0 1 293.455 3.536 20 0 CHADMN Fc1cccc(F)c1CCN1CC[C@@H](F)C(F)(F)CC1 ZINC001208115705 1133879579 /nfs/dbraw/zinc/87/95/79/1133879579.db2.gz KJMOXGYOWJUAEV-CYBMUJFWSA-N 0 1 293.279 3.577 20 0 CHADMN CC/C=C\CCCN1CCO[C@@H](COc2ccccc2)C1 ZINC001208138781 1133884133 /nfs/dbraw/zinc/88/41/33/1133884133.db2.gz RSKPTJMFGSXROW-DDKKJVIOSA-N 0 1 289.419 3.513 20 0 CHADMN CS[C@@H](C)CCN1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001208152207 1133887138 /nfs/dbraw/zinc/88/71/38/1133887138.db2.gz FMKBDXLWQSLKDY-BBRMVZONSA-N 0 1 297.439 3.515 20 0 CHADMN Cc1ccc([C@H](C)CCN2CC[C@@](C)(F)[C@@H](F)C2)o1 ZINC001208162460 1133893839 /nfs/dbraw/zinc/89/38/39/1133893839.db2.gz QWAUEXAMBMFGAD-BYCMXARLSA-N 0 1 271.351 3.854 20 0 CHADMN Cc1nc([C@H]2CCCCN2C[C@@H]2CCC(C)=C[C@@H]2C)no1 ZINC001208172016 1133896943 /nfs/dbraw/zinc/89/69/43/1133896943.db2.gz AZRXTNQVBVSHAJ-CWRNSKLLSA-N 0 1 289.423 3.897 20 0 CHADMN Fc1cccc(CCN2CCc3cc(F)ccc3C2)c1 ZINC001208201171 1133905467 /nfs/dbraw/zinc/90/54/67/1133905467.db2.gz BXYKKSRGGAAYLP-UHFFFAOYSA-N 0 1 273.326 3.566 20 0 CHADMN Fc1cccc(CCN2CCc3c(F)cccc3C2)c1 ZINC001208199889 1133905974 /nfs/dbraw/zinc/90/59/74/1133905974.db2.gz XCMKFCHHBKSMJI-UHFFFAOYSA-N 0 1 273.326 3.566 20 0 CHADMN Cc1ccccc1C[N@@H+](C)C[C@H]1COC2(CCCCC2)O1 ZINC001208637756 1133921136 /nfs/dbraw/zinc/92/11/36/1133921136.db2.gz AHLNKROYYDBRHO-KRWDZBQOSA-N 0 1 289.419 3.503 20 0 CHADMN COCc1noc2c1CN(CC[C@@H](C)CC(C)(C)C)CC2 ZINC001208661953 1133923579 /nfs/dbraw/zinc/92/35/79/1133923579.db2.gz ZCFFWELVZYWXHT-CYBMUJFWSA-N 0 1 294.439 3.642 20 0 CHADMN FC(F)(F)c1n[nH]c2c1CCN(CCC1CCCC1)C2 ZINC001208696128 1133928374 /nfs/dbraw/zinc/92/83/74/1133928374.db2.gz MMKZWMUIGOBVRZ-CYBMUJFWSA-N 0 1 287.329 3.923 20 0 CHADMN CC(C)CCCN(Cc1cccnc1)Cc1ccccn1 ZINC001208735216 1133937921 /nfs/dbraw/zinc/93/79/21/1133937921.db2.gz IPBKCLGCNHHJFP-UHFFFAOYSA-N 0 1 283.419 3.915 20 0 CHADMN C[C@H]1COCCN1CCCc1ccc(Cl)c(Cl)c1 ZINC001208833398 1133948727 /nfs/dbraw/zinc/94/87/27/1133948727.db2.gz MJCZCDQSSOFOIV-NSHDSACASA-N 0 1 288.218 3.647 20 0 CHADMN O=C1CCCN(CCCc2ccccc2C(F)(F)F)CC1 ZINC001208827658 1133948921 /nfs/dbraw/zinc/94/89/21/1133948921.db2.gz DYVGOFRYOKBMFO-UHFFFAOYSA-N 0 1 299.336 3.693 20 0 CHADMN COc1ccccc1CCC[N@H+]1CCc2cc(F)ccc2C1 ZINC001208841090 1133949344 /nfs/dbraw/zinc/94/93/44/1133949344.db2.gz GYWQSUBNGZSLRQ-UHFFFAOYSA-N 0 1 299.389 3.825 20 0 CHADMN Clc1ccccc1CCCN1CCCCC12COC2 ZINC001208872159 1133956765 /nfs/dbraw/zinc/95/67/65/1133956765.db2.gz VTSSEHQLTXICNI-UHFFFAOYSA-N 0 1 279.811 3.528 20 0 CHADMN CC(=O)c1ccc(NC2=CCN(C)CC2)c(C(F)(F)F)c1 ZINC001208929441 1133963568 /nfs/dbraw/zinc/96/35/68/1133963568.db2.gz AWLIOHAQUGLZBI-UHFFFAOYSA-N 0 1 298.308 3.539 20 0 CHADMN CC(C)c1nccnc1NC1=CCN(c2ccccc2)CC1 ZINC001209056300 1133970895 /nfs/dbraw/zinc/97/08/95/1133970895.db2.gz BKQGAEIAHATWDR-UHFFFAOYSA-N 0 1 294.402 3.806 20 0 CHADMN Cc1nc(NC2=CCN(c3ccccc3)CC2)cs1 ZINC001209041377 1133970902 /nfs/dbraw/zinc/97/09/02/1133970902.db2.gz MMWYVBQKJYMDEX-UHFFFAOYSA-N 0 1 271.389 3.658 20 0 CHADMN C[C@H]1C[C@@H](CF)N(CCc2ccc(F)cc2Cl)C1 ZINC001209109702 1133976203 /nfs/dbraw/zinc/97/62/03/1133976203.db2.gz SSGIGCCJBHHXBE-GWCFXTLKSA-N 0 1 273.754 3.702 20 0 CHADMN CC(=O)[C@@H]1CCCCN1CCc1cccc(C(F)(F)F)c1 ZINC001209119136 1133977500 /nfs/dbraw/zinc/97/75/00/1133977500.db2.gz OGURWTMRHGLNHC-HNNXBMFYSA-N 0 1 299.336 3.691 20 0 CHADMN Clc1cccc2c1CN(CCCc1cccnc1)CC2 ZINC001209181622 1133985393 /nfs/dbraw/zinc/98/53/93/1133985393.db2.gz DPHKSODGPUFPSW-UHFFFAOYSA-N 0 1 286.806 3.726 20 0 CHADMN COCCN(C)Cc1cc(F)ccc1Oc1ccccc1 ZINC001209210675 1133989589 /nfs/dbraw/zinc/98/95/89/1133989589.db2.gz WNDCTPJOAQETSX-UHFFFAOYSA-N 0 1 289.350 3.696 20 0 CHADMN CC(C)[N@@H+](CCc1cccs1)CC(=O)c1ccccc1 ZINC001209227583 1133991385 /nfs/dbraw/zinc/99/13/85/1133991385.db2.gz QACINFAPFKQHLI-UHFFFAOYSA-N 0 1 287.428 3.884 20 0 CHADMN CC(C)N(CCc1cccs1)CC(=O)c1ccccc1 ZINC001209227583 1133991390 /nfs/dbraw/zinc/99/13/90/1133991390.db2.gz QACINFAPFKQHLI-UHFFFAOYSA-N 0 1 287.428 3.884 20 0 CHADMN Cc1noc([C@@H]2CCCN2CCCCCc2ccccc2)n1 ZINC001209234536 1133994172 /nfs/dbraw/zinc/99/41/72/1133994172.db2.gz IAMGXIRQEHQOJX-KRWDZBQOSA-N 0 1 299.418 3.928 20 0 CHADMN C[C@@H]1CCCN(Cc2cnc(Cl)s2)C[C@H]1C ZINC001209460965 1134025106 /nfs/dbraw/zinc/02/51/06/1134025106.db2.gz GYNLQWWOOSBGGC-NXEZZACHSA-N 0 1 258.818 3.665 20 0 CHADMN Cn1nc2ccccc2c1CN1CCC[C@H]2CCCC[C@H]21 ZINC001209542111 1134037216 /nfs/dbraw/zinc/03/72/16/1134037216.db2.gz GAIIUXTXQDYOLY-RHSMWYFYSA-N 0 1 283.419 3.728 20 0 CHADMN CC(=O)C1CCN(Cc2cccc3[nH]cc(Cl)c32)CC1 ZINC001209654200 1134047059 /nfs/dbraw/zinc/04/70/59/1134047059.db2.gz GHQIJLYWCMNOGV-UHFFFAOYSA-N 0 1 290.794 3.622 20 0 CHADMN CC[C@H]1CCCN1Cc1cc(OC)c(Cl)cc1F ZINC001209665417 1134049261 /nfs/dbraw/zinc/04/92/61/1134049261.db2.gz YQZPQPWSQNEZSM-NSHDSACASA-N 0 1 271.763 3.862 20 0 CHADMN C[C@H]1CCCCC[N@H+]1Cc1[nH]nc2ccc(Cl)cc21 ZINC001209756861 1134061175 /nfs/dbraw/zinc/06/11/75/1134061175.db2.gz QDPDIRMJFSVOEH-NSHDSACASA-N 0 1 277.799 3.981 20 0 CHADMN COc1ccc2oc(CN3C[C@@H](C)C[C@H]3CF)cc2c1 ZINC001209769282 1134062848 /nfs/dbraw/zinc/06/28/48/1134062848.db2.gz GCTYPAIHSTWUFF-AAEUAGOBSA-N 0 1 277.339 3.621 20 0 CHADMN COc1ccc2ncc(Nc3ccc4nc[nH]c4c3)cc2c1 ZINC001209844429 1134077839 /nfs/dbraw/zinc/07/78/39/1134077839.db2.gz MWSFETWFIUTXEH-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN FC(F)(F)c1ncccc1Nc1ccc2nc[nH]c2c1 ZINC001209843562 1134078452 /nfs/dbraw/zinc/07/84/52/1134078452.db2.gz FHULAYWVSLFICF-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN Cc1cc(C)c(N)c(Nc2ccc3nc[nH]c3c2)c1 ZINC001209847908 1134081110 /nfs/dbraw/zinc/08/11/10/1134081110.db2.gz XHCMKVJVIVBFLG-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN Cc1ccc(N)c(Nc2ccc3nc[nH]c3c2)c1C ZINC001209846987 1134081786 /nfs/dbraw/zinc/08/17/86/1134081786.db2.gz KTCYKXVSIOVLAR-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN Cn1ccc2cc(Nc3ccc4nc[nH]c4c3)ccc21 ZINC001209848103 1134081886 /nfs/dbraw/zinc/08/18/86/1134081886.db2.gz ZUYFIJGYWTVUEK-UHFFFAOYSA-N 0 1 262.316 3.798 20 0 CHADMN c1nc2ccc(Nc3ncccc3C3CC3)cc2[nH]1 ZINC001209848414 1134083383 /nfs/dbraw/zinc/08/33/83/1134083383.db2.gz NHOROPNPYREKNK-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN Cc1cc(Nc2ccc3nc[nH]c3c2)n(C2CCC2)n1 ZINC001209849426 1134084219 /nfs/dbraw/zinc/08/42/19/1134084219.db2.gz YWDKNEOEFMTRHB-UHFFFAOYSA-N 0 1 267.336 3.536 20 0 CHADMN CCOc1ccc(Nc2ccc3nc[nH]c3c2)cc1 ZINC001209848198 1134084853 /nfs/dbraw/zinc/08/48/53/1134084853.db2.gz HSZYTPMLYGOWPR-UHFFFAOYSA-N 0 1 253.305 3.705 20 0 CHADMN Fc1cnc2c(cccc2Nc2ccc3nc[nH]c3c2)c1 ZINC001209852031 1134085845 /nfs/dbraw/zinc/08/58/45/1134085845.db2.gz SAZKTMMASVMLAA-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN COc1ccc(Nc2ccc3nc[nH]c3c2)c2ccncc12 ZINC001209851169 1134087283 /nfs/dbraw/zinc/08/72/83/1134087283.db2.gz JSCNAJGKPRMVAQ-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc(Cl)c1F ZINC001209967347 1134111179 /nfs/dbraw/zinc/11/11/79/1134111179.db2.gz NQFAGQMGGHGDAR-UHFFFAOYSA-N 0 1 251.692 3.508 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(Cc2ccncc2)cc1 ZINC001209966513 1134111251 /nfs/dbraw/zinc/11/12/51/1134111251.db2.gz DBQWLGXEXQTZFX-UHFFFAOYSA-N 0 1 290.370 3.702 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc(F)c1Br ZINC001209968724 1134111452 /nfs/dbraw/zinc/11/14/52/1134111452.db2.gz BBIVHLJWRZDIRT-UHFFFAOYSA-N 0 1 296.143 3.617 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc2cc(Cl)cnc21 ZINC001209969715 1134112253 /nfs/dbraw/zinc/11/22/53/1134112253.db2.gz OSCBQAGLJAPGBT-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN CC(=O)c1ccc(Cl)c(Nc2cnc(N)cc2C)c1 ZINC001209969268 1134112827 /nfs/dbraw/zinc/11/28/27/1134112827.db2.gz KCKHFUFIVKTJAS-UHFFFAOYSA-N 0 1 275.739 3.572 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(F)ccc1OCC(C)C ZINC001209971036 1134112869 /nfs/dbraw/zinc/11/28/69/1134112869.db2.gz PRBRYIILFXXWCK-UHFFFAOYSA-N 0 1 289.354 3.890 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc2c(c1)CCC(C)(C)O2 ZINC001209972239 1134113870 /nfs/dbraw/zinc/11/38/70/1134113870.db2.gz INNCKIBQXMJDEM-UHFFFAOYSA-N 0 1 283.375 3.819 20 0 CHADMN Cc1ncn(C)c1Nc1cc(Cl)cc(C)c1F ZINC001210025754 1134126350 /nfs/dbraw/zinc/12/63/50/1134126350.db2.gz SORGESYRCDINII-UHFFFAOYSA-N 0 1 253.708 3.573 20 0 CHADMN Cc1cc(Nc2cccc(C)c2F)n(-c2ccncc2)n1 ZINC001210036625 1134129406 /nfs/dbraw/zinc/12/94/06/1134129406.db2.gz HSALMEXLOZRVPG-UHFFFAOYSA-N 0 1 282.322 3.767 20 0 CHADMN Cc1cc(C[C@@H](C)Nc2ccc3cnccc3c2)on1 ZINC001210043655 1134133490 /nfs/dbraw/zinc/13/34/90/1134133490.db2.gz HXLXHDDUYSWFAX-LLVKDONJSA-N 0 1 267.332 3.574 20 0 CHADMN Cc1cccc2ncc(Nc3ccc4cnccc4c3)n21 ZINC001210047064 1134134372 /nfs/dbraw/zinc/13/43/72/1134134372.db2.gz IOTQXNFLEJNFAM-UHFFFAOYSA-N 0 1 274.327 3.935 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1csc2nccnc12 ZINC001210100384 1134145371 /nfs/dbraw/zinc/14/53/71/1134145371.db2.gz MNJTWFSHLLIJEB-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1ccc(Nc2cc3cn[nH]c3cc2C)c(Cl)n1 ZINC001210101081 1134146050 /nfs/dbraw/zinc/14/60/50/1134146050.db2.gz BDAZYJIFBBPPCY-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN COc1cc(Nc2cc3cn[nH]c3cc2C)cc(OC)c1 ZINC001210101015 1134146113 /nfs/dbraw/zinc/14/61/13/1134146113.db2.gz AUOYYQYHCIYHLA-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN CC(=O)c1ccc(Nc2cc3cn[nH]c3cc2C)cc1O ZINC001210101997 1134146709 /nfs/dbraw/zinc/14/67/09/1134146709.db2.gz LJXUUUDMEZAKHX-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(-c2ccncc2)no1 ZINC001210102851 1134147094 /nfs/dbraw/zinc/14/70/94/1134147094.db2.gz UUOOORQXLMHPCW-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ncccc1Cl ZINC001210102808 1134147235 /nfs/dbraw/zinc/14/72/35/1134147235.db2.gz TZIZBPUYYLXIBG-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2cnncc21 ZINC001210102955 1134147272 /nfs/dbraw/zinc/14/72/72/1134147272.db2.gz RMFIPAPXTZTORA-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN COC(=O)c1cc(F)cc(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210105130 1134147569 /nfs/dbraw/zinc/14/75/69/1134147569.db2.gz MGOAMNYLLJXPMJ-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN CC(=O)c1cc(Nc2cc3cn[nH]c3cc2C)ccc1F ZINC001210105261 1134148372 /nfs/dbraw/zinc/14/83/72/1134148372.db2.gz TUUNINWKSDWTSD-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2cnoc2c1 ZINC001210105373 1134148441 /nfs/dbraw/zinc/14/84/41/1134148441.db2.gz YXZWWQAZARABBP-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(Cl)ccc1CO ZINC001210105677 1134148835 /nfs/dbraw/zinc/14/88/35/1134148835.db2.gz GKPABXBZUOYQHX-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2nnsc2c1 ZINC001210106149 1134149154 /nfs/dbraw/zinc/14/91/54/1134149154.db2.gz QBAQKAZKFONFFD-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN COC(=O)c1cc(C)cc(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210105833 1134149258 /nfs/dbraw/zinc/14/92/58/1134149258.db2.gz KRZOCCBMLQNNSU-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN CC(C)n1ccc(Nc2ccnc(C3CCC3)c2)n1 ZINC001210342151 1134195473 /nfs/dbraw/zinc/19/54/73/1134195473.db2.gz QPXXLLPJTJHMSG-UHFFFAOYSA-N 0 1 256.353 3.870 20 0 CHADMN [O-]c1cc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)cc(F)c1F ZINC001210712633 1134278713 /nfs/dbraw/zinc/27/87/13/1134278713.db2.gz TYTJDADAFKRIIF-CYBMUJFWSA-N 0 1 294.345 3.615 20 0 CHADMN C=C(Nc1cc(OC)ccc1NC(C)=O)c1ccccc1 ZINC001210987925 1134343772 /nfs/dbraw/zinc/34/37/72/1134343772.db2.gz WCKCTGNUHGVMPO-UHFFFAOYSA-N 0 1 282.343 3.736 20 0 CHADMN CC(=Nc1ccc(-c2nnco2)cc1)c1ccccc1 ZINC001210987928 1134344448 /nfs/dbraw/zinc/34/44/48/1134344448.db2.gz WGFHUAMFBCJNEP-UHFFFAOYSA-N 0 1 263.300 3.819 20 0 CHADMN C=C(Nc1cccc2c1OCC[C@H]2O)c1ccccc1 ZINC001210991316 1134345160 /nfs/dbraw/zinc/34/51/60/1134345160.db2.gz VGICGCMPNDDWDC-MRXNPFEDSA-N 0 1 267.328 3.585 20 0 CHADMN CC(=Nc1ccc2c(c1)CN(C1CC1)C2=O)c1ccccc1 ZINC001210991211 1134345495 /nfs/dbraw/zinc/34/54/95/1134345495.db2.gz QLSNIGSIPGFOOC-UHFFFAOYSA-N 0 1 290.366 3.888 20 0 CHADMN CC(=Nc1cc(Cl)ccc1CO)c1ccccc1 ZINC001210991458 1134345564 /nfs/dbraw/zinc/34/55/64/1134345564.db2.gz VQOUSZDIGOOCNW-UHFFFAOYSA-N 0 1 259.736 3.915 20 0 CHADMN Nc1cncn1-c1ccc2ccc(-c3ccccc3)nc2c1 ZINC001211100748 1134368433 /nfs/dbraw/zinc/36/84/33/1134368433.db2.gz DLZUZLYEUPXQFA-UHFFFAOYSA-N 0 1 286.338 3.670 20 0 CHADMN Cn1cncc1Nc1ccc2nc(C(F)(F)F)ccc2c1 ZINC001211250710 1134399627 /nfs/dbraw/zinc/39/96/27/1134399627.db2.gz NHSXSRWBQRHWLN-UHFFFAOYSA-N 0 1 292.264 3.731 20 0 CHADMN COc1cnccc1Nc1ccc(F)c2ccccc12 ZINC001211265155 1134399718 /nfs/dbraw/zinc/39/97/18/1134399718.db2.gz OIPJQVPOBAPHCL-UHFFFAOYSA-N 0 1 268.291 3.548 20 0 CHADMN COc1cnccc1Nc1cc(Cl)cc(Cl)c1 ZINC001211262921 1134399949 /nfs/dbraw/zinc/39/99/49/1134399949.db2.gz BIUWNKJEXMNOMS-UHFFFAOYSA-N 0 1 269.131 3.563 20 0 CHADMN Cn1cncc1Nc1cccc(Cl)c1C(F)(F)F ZINC001211252624 1134400175 /nfs/dbraw/zinc/40/01/75/1134400175.db2.gz REQUYGRUUQIEES-UHFFFAOYSA-N 0 1 275.661 3.836 20 0 CHADMN COc1cnccc1Nc1cccc(-c2ccc(O)cc2)c1 ZINC001211266074 1134400405 /nfs/dbraw/zinc/40/04/05/1134400405.db2.gz YSJCKWKYBXUDIU-UHFFFAOYSA-N 0 1 292.338 3.628 20 0 CHADMN CCCCOc1ccc(Nc2c(C)ncn2C)c(C)c1 ZINC001211283123 1134402866 /nfs/dbraw/zinc/40/28/66/1134402866.db2.gz OGBRDPDSPXGSMD-UHFFFAOYSA-N 0 1 273.380 3.959 20 0 CHADMN COc1cccc(Nc2nc3cc(Cl)ccc3o2)n1 ZINC001211296066 1134405846 /nfs/dbraw/zinc/40/58/46/1134405846.db2.gz OKYXLNLKOAQKIP-UHFFFAOYSA-N 0 1 275.695 3.628 20 0 CHADMN Oc1cc(F)c(-c2c(F)c(F)cc(F)c2F)cc1F ZINC001211340549 1134410448 /nfs/dbraw/zinc/41/04/48/1134410448.db2.gz WKRZYONRLLJOAL-UHFFFAOYSA-N 0 1 278.151 3.894 20 0 CHADMN Oc1cc(F)c(-c2cc(F)cc(F)c2F)cc1F ZINC001211340718 1134410683 /nfs/dbraw/zinc/41/06/83/1134410683.db2.gz YCCIPYQDJDFGHF-UHFFFAOYSA-N 0 1 260.161 3.755 20 0 CHADMN COc1c(F)ccc(F)c1-c1cc(F)c(O)cc1F ZINC001211359612 1134412512 /nfs/dbraw/zinc/41/25/12/1134412512.db2.gz JOVCDORTRGJNIU-UHFFFAOYSA-N 0 1 272.197 3.624 20 0 CHADMN Cc1cc(Nc2ccc3nc(C)[nH]c3c2)n(C(C)(C)C)n1 ZINC001213070214 1134419365 /nfs/dbraw/zinc/41/93/65/1134419365.db2.gz DXTXVQGRRBWHDS-UHFFFAOYSA-N 0 1 283.379 3.875 20 0 CHADMN COc1ccc(F)c(F)c1Nc1ccc2nc(C)[nH]c2c1 ZINC001213075331 1134422869 /nfs/dbraw/zinc/42/28/69/1134422869.db2.gz OZEIJFCIFZANME-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN CC(C)(C)c1cc(Nc2ncc(Cl)cc2O)ccn1 ZINC001213162927 1134432861 /nfs/dbraw/zinc/43/28/61/1134432861.db2.gz MYYZQAYTTAEMFM-UHFFFAOYSA-N 0 1 277.755 3.877 20 0 CHADMN COc1cccc(C(F)(F)F)c1Nc1nonc1C1CC1 ZINC001213342994 1134442990 /nfs/dbraw/zinc/44/29/90/1134442990.db2.gz BTIYLBOJLGZQGN-UHFFFAOYSA-N 0 1 299.252 3.718 20 0 CHADMN COc1cccc(-n2c(N)nc3ccc(C)cc32)c1C1CC1 ZINC001213797159 1134485704 /nfs/dbraw/zinc/48/57/04/1134485704.db2.gz OMMSLVVUAALBAJ-UHFFFAOYSA-N 0 1 293.370 3.802 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)O[C@@H](C)CC(C)C)n[nH]1 ZINC001213854421 1134491180 /nfs/dbraw/zinc/49/11/80/1134491180.db2.gz ULPDFDQBHNGFAO-ZFWWWQNUSA-N 0 1 293.411 3.816 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)O[C@H](C)CC(C)C)n[nH]1 ZINC001213854417 1134491286 /nfs/dbraw/zinc/49/12/86/1134491286.db2.gz ULPDFDQBHNGFAO-HIFRSBDPSA-N 0 1 293.411 3.816 20 0 CHADMN Cc1cc(Nc2cnccc2C2CC2)c2ccccc2n1 ZINC001213867013 1134493331 /nfs/dbraw/zinc/49/33/31/1134493331.db2.gz WKCJVHZQLAHXKE-UHFFFAOYSA-N 0 1 275.355 3.981 20 0 CHADMN Cc1ncn(C)c1Nc1c(F)ccc(Cl)c1Cl ZINC001214504695 1134545856 /nfs/dbraw/zinc/54/58/56/1134545856.db2.gz GNTGFFBTGXVPCY-UHFFFAOYSA-N 0 1 274.126 3.918 20 0 CHADMN Cc1cc(Cl)c(Nc2ccnc(CO)c2)c(Cl)c1 ZINC001214496455 1134546327 /nfs/dbraw/zinc/54/63/27/1134546327.db2.gz SMNOKQDOULZTPK-UHFFFAOYSA-N 0 1 283.158 3.933 20 0 CHADMN Oc1c(Cl)ccc(Nc2cccn3nccc23)c1F ZINC001214797809 1134573081 /nfs/dbraw/zinc/57/30/81/1134573081.db2.gz FTLJLBPSRSYZBC-UHFFFAOYSA-N 0 1 277.686 3.576 20 0 CHADMN COc1ccc(Nc2ccc(Cl)c(O)c2F)c(C)n1 ZINC001214790961 1134573328 /nfs/dbraw/zinc/57/33/28/1134573328.db2.gz CXFRGMCMCRPQOK-UHFFFAOYSA-N 0 1 282.702 3.640 20 0 CHADMN Oc1cccc(F)c1Nc1ccc(Cl)c(O)c1F ZINC001214799370 1134574889 /nfs/dbraw/zinc/57/48/89/1134574889.db2.gz UICGCJKJVWYYOG-UHFFFAOYSA-N 0 1 271.650 3.773 20 0 CHADMN Oc1c(Cl)ccc(Nc2cccc3c2OCC3)c1F ZINC001214802305 1134574939 /nfs/dbraw/zinc/57/49/39/1134574939.db2.gz ZVIJBEVKNUEVQE-UHFFFAOYSA-N 0 1 279.698 3.863 20 0 CHADMN Oc1cc(F)cc(F)c1Nc1ccc(Cl)c(O)c1F ZINC001214798994 1134575293 /nfs/dbraw/zinc/57/52/93/1134575293.db2.gz FZVXGQZHTXHJHW-UHFFFAOYSA-N 0 1 289.640 3.912 20 0 CHADMN Cc1ccc(N)cc1Nc1ccc(Cl)c(O)c1F ZINC001214803658 1134575404 /nfs/dbraw/zinc/57/54/04/1134575404.db2.gz BQYZGVRRBXZNTK-UHFFFAOYSA-N 0 1 266.703 3.819 20 0 CHADMN Nc1ccc(F)c2ccn(-c3ccc(Cl)c(O)c3F)c21 ZINC001214806591 1134576245 /nfs/dbraw/zinc/57/62/45/1134576245.db2.gz ITDHJFNEEKXTGV-UHFFFAOYSA-N 0 1 294.688 3.850 20 0 CHADMN Cc1c(O)cccc1Nc1ccc(Cl)c(O)c1F ZINC001214804781 1134576254 /nfs/dbraw/zinc/57/62/54/1134576254.db2.gz YVPPNZOHTVIRLH-UHFFFAOYSA-N 0 1 267.687 3.942 20 0 CHADMN Cc1coc(Nc2c(F)ccc(OC(C)C)c2F)n1 ZINC001215170233 1134603841 /nfs/dbraw/zinc/60/38/41/1134603841.db2.gz JCJXJLWMQVOQPB-UHFFFAOYSA-N 0 1 268.263 3.792 20 0 CHADMN COc1cc(Cl)c(C)cc1N[C@@H]1CCCc2[nH]ncc21 ZINC000401547522 1134616396 /nfs/dbraw/zinc/61/63/96/1134616396.db2.gz MTWYDDZAPUWUKE-GFCCVEGCSA-N 0 1 291.782 3.870 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2n[nH]cc21)c1ccccc1OC ZINC000401605745 1134617537 /nfs/dbraw/zinc/61/75/37/1134617537.db2.gz IJVYEAORORTPDS-LSDHHAIUSA-N 0 1 285.391 3.537 20 0 CHADMN CCC(=O)Nc1ccc(C)c(N[C@H]2CCCc3[nH]ncc32)c1 ZINC000401745661 1134618667 /nfs/dbraw/zinc/61/86/67/1134618667.db2.gz VRVCRQMLISBIHO-AWEZNQCLSA-N 0 1 298.390 3.556 20 0 CHADMN Cc1cc(CNCc2ccccc2Cl)cc(Cl)n1 ZINC000401935954 1134626714 /nfs/dbraw/zinc/62/67/14/1134626714.db2.gz BXVIYIMTDAJDES-UHFFFAOYSA-N 0 1 281.186 3.987 20 0 CHADMN CCCOc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1 ZINC000401942971 1134627231 /nfs/dbraw/zinc/62/72/31/1134627231.db2.gz NIPQUZKFZNGCIW-HNNXBMFYSA-N 0 1 271.364 3.688 20 0 CHADMN Cc1cscc1CNCc1cc(C)nc(Cl)c1 ZINC000401979507 1134627604 /nfs/dbraw/zinc/62/76/04/1134627604.db2.gz ZTCBOWWCYNGULK-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN Cc1cc(Nc2cc3[nH]ncc3c(F)c2)cnc1Cl ZINC001215553056 1134639523 /nfs/dbraw/zinc/63/95/23/1134639523.db2.gz MSMNYTKUFSZRDQ-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN COc1ncc(Nc2cc3[nH]ncc3c(F)c2)cc1Cl ZINC001215553648 1134639795 /nfs/dbraw/zinc/63/97/95/1134639795.db2.gz AALAKXUVTQYENF-UHFFFAOYSA-N 0 1 292.701 3.503 20 0 CHADMN Fc1ccc2nc(Nc3cc4[nH]ncc4c(F)c3)oc2c1 ZINC001215552614 1134640036 /nfs/dbraw/zinc/64/00/36/1134640036.db2.gz VSWQRWDFVPCGRS-UHFFFAOYSA-N 0 1 286.241 3.726 20 0 CHADMN O=c1[nH]ccc2c(Nc3cc4[nH]ncc4c(F)c3)cccc12 ZINC001215555439 1134641307 /nfs/dbraw/zinc/64/13/07/1134641307.db2.gz JXGURZWVKBOARP-UHFFFAOYSA-N 0 1 294.289 3.699 20 0 CHADMN Fc1cc(Nc2cccc3c2OCCC3)cc2[nH]ncc21 ZINC001215556993 1134641952 /nfs/dbraw/zinc/64/19/52/1134641952.db2.gz NRAWMOLDFXKCLI-UHFFFAOYSA-N 0 1 283.306 3.771 20 0 CHADMN O[C@@H]1CCCc2ccc(Nc3cc4[nH]ncc4c(F)c3)cc21 ZINC001215558769 1134642042 /nfs/dbraw/zinc/64/20/42/1134642042.db2.gz WFJICYBNPZFOBW-QGZVFWFLSA-N 0 1 297.333 3.815 20 0 CHADMN Cc1c(Cl)ccc(N)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215557180 1134642093 /nfs/dbraw/zinc/64/20/93/1134642093.db2.gz UMSUWYFCBSDYTB-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN COc1cc(F)cc(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215557182 1134642269 /nfs/dbraw/zinc/64/22/69/1134642269.db2.gz UNAQVBKFMWNSPA-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN CC(=O)c1ccc(Nc2cc3[nH]ncc3c(F)c2)c(F)c1 ZINC001215556950 1134642308 /nfs/dbraw/zinc/64/23/08/1134642308.db2.gz MXGBTDMURNOAKQ-UHFFFAOYSA-N 0 1 287.269 3.787 20 0 CHADMN CC(=O)c1ccc(C)c(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215556597 1134642489 /nfs/dbraw/zinc/64/24/89/1134642489.db2.gz JBJRQVRIXSMCFO-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN CN(CCCC(F)(F)F)Cc1cnc(Cl)s1 ZINC000402583567 1134663412 /nfs/dbraw/zinc/66/34/12/1134663412.db2.gz XQBJHEXTAOWZMC-UHFFFAOYSA-N 0 1 272.723 3.571 20 0 CHADMN Cc1cc2c(ncnc2Nc2ccc(C)c3[nH]ncc32)s1 ZINC001215754479 1134674011 /nfs/dbraw/zinc/67/40/11/1134674011.db2.gz VRSWRCFOVZABLX-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN Cc1ccc(Nc2cnccc2C2CC2)c2cn[nH]c21 ZINC001215756460 1134674799 /nfs/dbraw/zinc/67/47/99/1134674799.db2.gz QXMNXLHGIVXTQW-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN COc1nc(Cl)ccc1Nc1ccc(C)c2[nH]ncc21 ZINC001215756757 1134674820 /nfs/dbraw/zinc/67/48/20/1134674820.db2.gz XWOWJHXEBXAYCW-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1ccc(Nc2ccnc(OC(F)F)c2)c2cn[nH]c21 ZINC001215756325 1134674963 /nfs/dbraw/zinc/67/49/63/1134674963.db2.gz PLFLRCGTUBRAQE-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1ccc(Nc2nccnc2C(C)C)c2cn[nH]c21 ZINC001215757063 1134675222 /nfs/dbraw/zinc/67/52/22/1134675222.db2.gz KFXARTKANAWQBR-UHFFFAOYSA-N 0 1 267.336 3.528 20 0 CHADMN Cc1ccc(Nc2ccc(N)cc2Cl)c2cn[nH]c21 ZINC001215758382 1134675761 /nfs/dbraw/zinc/67/57/61/1134675761.db2.gz RQEJVPMYBGSFPF-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1ccc(Nc2cc(C)c(O)cc2C)c2cn[nH]c21 ZINC001215757704 1134676002 /nfs/dbraw/zinc/67/60/02/1134676002.db2.gz XKAIXNPPGFOJSP-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN Cc1ccc(Nc2ccc(C(F)F)cn2)c2cn[nH]c21 ZINC001215757727 1134676060 /nfs/dbraw/zinc/67/60/60/1134676060.db2.gz YJRYGMIHPARABA-UHFFFAOYSA-N 0 1 274.274 3.948 20 0 CHADMN Cc1ccc(Nc2ccccc2C(C)(C)O)c2cn[nH]c21 ZINC001215758294 1134676132 /nfs/dbraw/zinc/67/61/32/1134676132.db2.gz OMNISMWICCQPBK-UHFFFAOYSA-N 0 1 281.359 3.842 20 0 CHADMN COC(=O)c1ccc(Nc2ccc(C)c3[nH]ncc32)cc1C ZINC001215757255 1134676319 /nfs/dbraw/zinc/67/63/19/1134676319.db2.gz OTEZRIRUQCLCKQ-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN COc1ccc(F)cc1Nc1ccc(C)c2[nH]ncc21 ZINC001215758441 1134676687 /nfs/dbraw/zinc/67/66/87/1134676687.db2.gz UFMDSHNAQGDXLV-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN COc1cc(F)c(Nc2ccc(C)c3[nH]ncc32)c(F)c1 ZINC001215758227 1134676690 /nfs/dbraw/zinc/67/66/90/1134676690.db2.gz LJTOMZRNWWUGER-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1ccc(Nc2cccc3c2CCO3)c2cn[nH]c21 ZINC001215759730 1134677773 /nfs/dbraw/zinc/67/77/73/1134677773.db2.gz SEJVCMHXWZXHPG-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN C=CC(=O)Nc1cccc(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215760213 1134677796 /nfs/dbraw/zinc/67/77/96/1134677796.db2.gz IZYXAZWWCWVKLS-UHFFFAOYSA-N 0 1 292.342 3.739 20 0 CHADMN Cc1ccc(Nc2ccc3c(c2)[C@@H](O)CC3)c2cn[nH]c21 ZINC001215760832 1134678684 /nfs/dbraw/zinc/67/86/84/1134678684.db2.gz XQUHLLHYPWMOCQ-INIZCTEOSA-N 0 1 279.343 3.595 20 0 CHADMN Oc1cccc(F)c1-c1nc(-c2ccc3occc3c2)no1 ZINC001215776466 1134683864 /nfs/dbraw/zinc/68/38/64/1134683864.db2.gz RHAXEANNNAJLFE-UHFFFAOYSA-N 0 1 296.257 3.995 20 0 CHADMN Cc1cccc(-c2noc(-c3ccc(O)c(F)c3)n2)c1C ZINC001215792356 1134687666 /nfs/dbraw/zinc/68/76/66/1134687666.db2.gz PQQYHXQCXAILJX-UHFFFAOYSA-N 0 1 284.290 3.865 20 0 CHADMN Cc1cccc(-c2noc(-c3ccc(O)c(F)c3)n2)c1F ZINC001215791878 1134687680 /nfs/dbraw/zinc/68/76/80/1134687680.db2.gz GLWJYZGUCYWNAN-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN COc1cccc(Nc2cc(Cl)cc3[nH]ncc32)c1 ZINC001215858679 1134703798 /nfs/dbraw/zinc/70/37/98/1134703798.db2.gz CCDONEQQDJQBAS-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN CSc1cc(C)ccc1Nc1cc(=O)[nH]c(Cl)n1 ZINC001215871970 1134709230 /nfs/dbraw/zinc/70/92/30/1134709230.db2.gz FRKGBIRLYKKEKH-UHFFFAOYSA-N 0 1 281.768 3.610 20 0 CHADMN Nc1nc2ccccc2n1-c1cc(F)cc(F)c1Cl ZINC001215951953 1134729295 /nfs/dbraw/zinc/72/92/95/1134729295.db2.gz JZXWZSVOGSCMIW-UHFFFAOYSA-N 0 1 279.677 3.539 20 0 CHADMN COc1cc(Nc2ccc(N)c(C(C)C)c2)ncc1C ZINC001216045310 1134760223 /nfs/dbraw/zinc/76/02/23/1134760223.db2.gz KDFBRRLRWFVWQZ-UHFFFAOYSA-N 0 1 271.364 3.848 20 0 CHADMN Nc1nc2ccccc2n1-c1cccc(-c2ccncc2)c1 ZINC001216143547 1134789097 /nfs/dbraw/zinc/78/90/97/1134789097.db2.gz GMJJHDBBOWVAFD-UHFFFAOYSA-N 0 1 286.338 3.670 20 0 CHADMN Cc1cc(C)nc(Nc2cccc(CN(C)C)c2F)c1 ZINC001216227286 1134812818 /nfs/dbraw/zinc/81/28/18/1134812818.db2.gz ZLWWINJOSFHTIU-UHFFFAOYSA-N 0 1 273.355 3.643 20 0 CHADMN Cc1cc(C)c(Nc2cccc(CN(C)C)c2F)cn1 ZINC001216227811 1134812824 /nfs/dbraw/zinc/81/28/24/1134812824.db2.gz QDEIAQDEOXHWFF-UHFFFAOYSA-N 0 1 273.355 3.643 20 0 CHADMN CCc1ccc(Nc2cccc(CN(C)C)c2F)cn1 ZINC001216227735 1134813711 /nfs/dbraw/zinc/81/37/11/1134813711.db2.gz HLMIJHJWALLLGB-UHFFFAOYSA-N 0 1 273.355 3.588 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc(Cl)cn2)c1F ZINC001216227016 1134813835 /nfs/dbraw/zinc/81/38/35/1134813835.db2.gz LUPREMKYDGLGRE-UHFFFAOYSA-N 0 1 279.746 3.679 20 0 CHADMN COc1ccc(Nc2cccc(CN(C)C)c2F)cc1F ZINC001216231025 1134814641 /nfs/dbraw/zinc/81/46/41/1134814641.db2.gz OADXZHIANFZLAL-UHFFFAOYSA-N 0 1 292.329 3.779 20 0 CHADMN C[C@@H](O)c1ccc(Nc2cccc(CN(C)C)c2F)cc1 ZINC001216231063 1134815991 /nfs/dbraw/zinc/81/59/91/1134815991.db2.gz QAKZXUHGAUVJCR-GFCCVEGCSA-N 0 1 288.366 3.684 20 0 CHADMN CCOc1ccc(C)c(Nc2cc(OC)c(C)cn2)c1 ZINC001216235907 1134817698 /nfs/dbraw/zinc/81/76/98/1134817698.db2.gz MUQDCVSQOSUZTA-UHFFFAOYSA-N 0 1 272.348 3.849 20 0 CHADMN Cc1ccc2nc(N)n(-c3c(Cl)ccnc3Cl)c2c1 ZINC001216300432 1134840971 /nfs/dbraw/zinc/84/09/71/1134840971.db2.gz PLQFBBLCBXJAKB-UHFFFAOYSA-N 0 1 293.157 3.618 20 0 CHADMN Cc1cc[nH+]c(C)c1Nc1cc(C)c(C(=O)[O-])c(C)c1 ZINC001216309562 1134845174 /nfs/dbraw/zinc/84/51/74/1134845174.db2.gz CGTJIYHGUCHDJE-UHFFFAOYSA-N 0 1 270.332 3.757 20 0 CHADMN Cc1cc(Nc2cccc3[nH+]cn(C)c32)cc(C)c1C(=O)[O-] ZINC001216312606 1134846827 /nfs/dbraw/zinc/84/68/27/1134846827.db2.gz MJZAPWVJEHVTDP-UHFFFAOYSA-N 0 1 295.342 3.632 20 0 CHADMN c1nc2cc(Nc3cncn3Cc3ccccc3)ccc2o1 ZINC001216552652 1134918683 /nfs/dbraw/zinc/91/86/83/1134918683.db2.gz WFHGGGSUWZYHMV-UHFFFAOYSA-N 0 1 290.326 3.816 20 0 CHADMN CCn1ncc2cc(Nc3cc(C)cc(C)n3)ccc21 ZINC001216587718 1134925767 /nfs/dbraw/zinc/92/57/67/1134925767.db2.gz BWNMBUZUPAPEFN-UHFFFAOYSA-N 0 1 266.348 3.812 20 0 CHADMN Cn1cncc1Nc1ccc(OCc2ccccc2F)cc1 ZINC001216656598 1134940545 /nfs/dbraw/zinc/94/05/45/1134940545.db2.gz GWMDWLVHKSYNOJ-UHFFFAOYSA-N 0 1 297.333 3.882 20 0 CHADMN Cn1cncc1Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC001216686764 1134945360 /nfs/dbraw/zinc/94/53/60/1134945360.db2.gz YSAKECDFNCCAOP-UHFFFAOYSA-N 0 1 290.326 3.972 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc(C)oc2C)sn1 ZINC000404472818 1134945936 /nfs/dbraw/zinc/94/59/36/1134945936.db2.gz ZPEHKGDWRYHOKH-JTQLQIEISA-N 0 1 250.367 3.512 20 0 CHADMN Cc1ccc(-c2noc(-c3ccc4[nH]cnc4c3)n2)c(F)c1 ZINC001217131758 1134964277 /nfs/dbraw/zinc/96/42/77/1134964277.db2.gz YAYFJNJXKVJJES-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1nc2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2[nH]1 ZINC001217244989 1134968336 /nfs/dbraw/zinc/96/83/36/1134968336.db2.gz WRBFDZPNHZIXSL-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Clc1ccc(-c2noc(-c3cc4cccnc4[nH]3)n2)cc1 ZINC001217306122 1134971156 /nfs/dbraw/zinc/97/11/56/1134971156.db2.gz OAZANOXWAJHJCQ-UHFFFAOYSA-N 0 1 296.717 3.933 20 0 CHADMN Cc1cccc(-c2noc(-c3cc4cccnc4[nH]3)n2)c1 ZINC001217305717 1134971488 /nfs/dbraw/zinc/97/14/88/1134971488.db2.gz AYMJYDLUFCDETB-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN Cc1ccc(-c2noc(-c3cc4cccnc4[nH]3)n2)c(F)c1 ZINC001217308535 1134971744 /nfs/dbraw/zinc/97/17/44/1134971744.db2.gz SWCVWZONSFQHPQ-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Clc1ccnc2[nH]cc(-c3nc(-c4ccccc4)no3)c21 ZINC001217391121 1134975694 /nfs/dbraw/zinc/97/56/94/1134975694.db2.gz LHOQNAVZLAVVLT-UHFFFAOYSA-N 0 1 296.717 3.933 20 0 CHADMN Cc1cc(F)cc(-c2noc(-c3cnc4ccc[nH]c3-4)n2)c1 ZINC001217399333 1134975941 /nfs/dbraw/zinc/97/59/41/1134975941.db2.gz QUMKEXVXRPZOID-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1cccnc1-c1noc(-c2ccc3occc3c2O)n1 ZINC001217514071 1134981174 /nfs/dbraw/zinc/98/11/74/1134981174.db2.gz MALBUCWQBVHQCC-UHFFFAOYSA-N 0 1 293.282 3.559 20 0 CHADMN Cc1ccc2cc(-c3nc(-c4ccccc4C)no3)[nH]c2n1 ZINC001217618796 1134985448 /nfs/dbraw/zinc/98/54/48/1134985448.db2.gz TZYFRRZWYBSLHF-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN CC(C)c1ccc(-c2nnc([C@@H]3NCCC[C@H]3C)o2)cc1 ZINC001217702619 1134987643 /nfs/dbraw/zinc/98/76/43/1134987643.db2.gz MGCGQEADNUBRNH-IUODEOHRSA-N 0 1 285.391 3.921 20 0 CHADMN CC(C)c1ccc(-c2nnc([C@H]3CC[C@@H](C)CN3)o2)cc1 ZINC001217701636 1134988322 /nfs/dbraw/zinc/98/83/22/1134988322.db2.gz FDQAQOHKQCJNID-IUODEOHRSA-N 0 1 285.391 3.921 20 0 CHADMN CN[C@H](c1nnc(-c2ccc3ccccc3c2)o1)C(C)C ZINC001217727112 1134992731 /nfs/dbraw/zinc/99/27/31/1134992731.db2.gz MFRLLSHZOKWNIH-HNNXBMFYSA-N 0 1 281.359 3.806 20 0 CHADMN C[C@@H]1CC[C@@H](OCc2cccc3nc[nH]c32)C[C@@H]1C ZINC001217871005 1135013976 /nfs/dbraw/zinc/01/39/76/1135013976.db2.gz PLNWTYCMSYJRFP-MBNYWOFBSA-N 0 1 258.365 3.904 20 0 CHADMN Cc1ccccc1OC[C@@H](C)OCc1cccc2nc[nH]c21 ZINC001217890605 1135017467 /nfs/dbraw/zinc/01/74/67/1135017467.db2.gz FRXRQWAJNYQSCD-CQSZACIVSA-N 0 1 296.370 3.855 20 0 CHADMN Cc1ccc(Cl)cc1CNCc1cccc([N+](=O)[O-])c1 ZINC000188860766 1135127047 /nfs/dbraw/zinc/12/70/47/1135127047.db2.gz YVJXHNBGRMUMIG-UHFFFAOYSA-N 0 1 290.750 3.846 20 0 CHADMN CCCCCC[C@@H](C)N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000315120964 1135151826 /nfs/dbraw/zinc/15/18/26/1135151826.db2.gz IJBMJTQRTMCDGO-VXGBXAGGSA-N 0 1 298.452 3.939 20 0 CHADMN COC(=O)c1cc2cc(-c3ccccc3Cl)cnc2[nH]1 ZINC001222431802 1135241738 /nfs/dbraw/zinc/24/17/38/1135241738.db2.gz REWXCNWCTMTKBQ-UHFFFAOYSA-N 0 1 286.718 3.670 20 0 CHADMN CCN1CCC(O[C@@](F)(Cl)c2ccccc2)CC1 ZINC001222956828 1135287351 /nfs/dbraw/zinc/28/73/51/1135287351.db2.gz LJPFLRDOSWCNIR-CQSZACIVSA-N 0 1 271.763 3.506 20 0 CHADMN CCN1CCC(O[C@](F)(Cl)c2ccccc2)CC1 ZINC001222956827 1135287552 /nfs/dbraw/zinc/28/75/52/1135287552.db2.gz LJPFLRDOSWCNIR-AWEZNQCLSA-N 0 1 271.763 3.506 20 0 CHADMN Clc1ccc([C@H](OCc2cnc[nH]2)c2ccccn2)cc1 ZINC001223000241 1135292984 /nfs/dbraw/zinc/29/29/84/1135292984.db2.gz MEGWTAKYPCULPU-INIZCTEOSA-N 0 1 299.761 3.764 20 0 CHADMN O=C(O[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC001223147485 1135309993 /nfs/dbraw/zinc/30/99/93/1135309993.db2.gz VPTAHUGKOXOOBT-GOSISDBHSA-N 0 1 295.382 3.508 20 0 CHADMN Cc1ccc(CO[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001223186145 1135313522 /nfs/dbraw/zinc/31/35/22/1135313522.db2.gz OWZDTUKHYAXFCW-INIZCTEOSA-N 0 1 287.428 3.848 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)C[C@H]2C)cc(Cl)n1 ZINC000321062654 1135370145 /nfs/dbraw/zinc/37/01/45/1135370145.db2.gz ZMLKLNXWVOZQIH-ZYHUDNBSSA-N 0 1 252.789 3.664 20 0 CHADMN CCN1CC[C@H](OC(Cl)(Cl)c2ccccc2F)C1 ZINC001223768226 1135381240 /nfs/dbraw/zinc/38/12/40/1135381240.db2.gz GOGUXPRLODPPBW-JTQLQIEISA-N 0 1 292.181 3.524 20 0 CHADMN CC1(C)CC(CO[C@H]2CCN3Cc4ccccc4N=C23)C1 ZINC001224768293 1135480688 /nfs/dbraw/zinc/48/06/88/1135480688.db2.gz CBTGHURYZLRUOK-INIZCTEOSA-N 0 1 284.403 3.757 20 0 CHADMN c1csc(CCO[C@H]2CCN3Cc4ccccc4N=C23)c1 ZINC001224786456 1135482534 /nfs/dbraw/zinc/48/25/34/1135482534.db2.gz TZDAHZMTCNIHCD-INIZCTEOSA-N 0 1 298.411 3.625 20 0 CHADMN CC[C@H](CC1CCCCC1)N[C@@H](C)c1csnn1 ZINC000720987785 1135505259 /nfs/dbraw/zinc/50/52/59/1135505259.db2.gz UVTBNCDHIGVONL-WCQYABFASA-N 0 1 267.442 3.938 20 0 CHADMN Fc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001225202705 1135512297 /nfs/dbraw/zinc/51/22/97/1135512297.db2.gz ZLUAPJIFOKMBGD-INIZCTEOSA-N 0 1 285.362 3.869 20 0 CHADMN Cc1ccc(Cl)c(O[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001225203935 1135512593 /nfs/dbraw/zinc/51/25/93/1135512593.db2.gz IGUPCOSRMWFBGZ-ZDUSSCGKSA-N 0 1 267.800 3.900 20 0 CHADMN Cc1ccccc1O[C@@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001225216893 1135516479 /nfs/dbraw/zinc/51/64/79/1135516479.db2.gz OKZNFRSYWMLTPE-IAGOWNOFSA-N 0 1 296.414 3.994 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccccc1[S-] ZINC001225588279 1135591545 /nfs/dbraw/zinc/59/15/45/1135591545.db2.gz PVSCGCFNURLVSZ-YOEHRIQHSA-N 0 1 299.439 3.875 20 0 CHADMN CN1CCC[C@H](Oc2cccc(C(F)(F)F)c2Cl)C1 ZINC001225888286 1135634102 /nfs/dbraw/zinc/63/41/02/1135634102.db2.gz KJTMDRAGMILREJ-VIFPVBQESA-N 0 1 293.716 3.832 20 0 CHADMN CN1CC[C@@H](Oc2cc(C(F)(F)F)cc(Cl)c2F)C1 ZINC001225909359 1135636481 /nfs/dbraw/zinc/63/64/81/1135636481.db2.gz BAHVSCPFCJPPEY-MRVPVSSYSA-N 0 1 297.679 3.581 20 0 CHADMN CC[C@@H](Oc1nc(C(F)(F)F)cc(=O)[nH]1)c1ccccc1 ZINC001225980484 1135647871 /nfs/dbraw/zinc/64/78/71/1135647871.db2.gz MQRGHBYWPDQFDC-SNVBAGLBSA-N 0 1 298.264 3.731 20 0 CHADMN Clc1ccc2c(c1)CC[C@@H]2Oc1n[nH]c2ncccc12 ZINC001226301623 1135682041 /nfs/dbraw/zinc/68/20/41/1135682041.db2.gz CJZHJMLHEPKCIW-ZDUSSCGKSA-N 0 1 285.734 3.678 20 0 CHADMN C[C@H](Oc1nccc(=O)[nH]1)c1cc2ccccc2s1 ZINC001226324145 1135684717 /nfs/dbraw/zinc/68/47/17/1135684717.db2.gz IRNUNMSGULELAI-VIFPVBQESA-N 0 1 272.329 3.537 20 0 CHADMN C[C@H](Oc1nccc(=O)[nH]1)c1cc(Cl)ccc1Cl ZINC001226327200 1135685243 /nfs/dbraw/zinc/68/52/43/1135685243.db2.gz SOWQOBYWYAJDLZ-ZETCQYMHSA-N 0 1 285.130 3.629 20 0 CHADMN CCN1CCC[C@@H](Oc2c(C)cccc2Cl)C1 ZINC001226388772 1135690965 /nfs/dbraw/zinc/69/09/65/1135690965.db2.gz PHIDRNGNKHYXII-GFCCVEGCSA-N 0 1 253.773 3.512 20 0 CHADMN Nc1cc(OC2CCC(F)(F)CC2)c2ccccc2n1 ZINC001226418934 1135694688 /nfs/dbraw/zinc/69/46/88/1135694688.db2.gz SWMWYNWSQAVVOU-UHFFFAOYSA-N 0 1 278.302 3.774 20 0 CHADMN Cc1ccc2nc(OC3CC(C)(C)OC(C)(C)C3)[nH]c2c1 ZINC001226508989 1135705959 /nfs/dbraw/zinc/70/59/59/1135705959.db2.gz RNAWVXGCCXMHNA-UHFFFAOYSA-N 0 1 288.391 3.986 20 0 CHADMN Fc1ccc2nc(O[C@@H]3CCOc4ccccc43)[nH]c2c1 ZINC001226702257 1135731650 /nfs/dbraw/zinc/73/16/50/1135731650.db2.gz YGQTYTRTFOUTHE-OAHLLOKOSA-N 0 1 284.290 3.605 20 0 CHADMN COc1ccc([C@@H](C)Oc2ccc3nc[nH]c3c2)cc1OC ZINC001226928628 1135761484 /nfs/dbraw/zinc/76/14/84/1135761484.db2.gz OBTAQZRDFAWKMW-LLVKDONJSA-N 0 1 298.342 3.720 20 0 CHADMN FC1(F)CCC(Oc2ccc3nc[nH]c3c2)CC1 ZINC001226927845 1135761744 /nfs/dbraw/zinc/76/17/44/1135761744.db2.gz BXHQZXBDHGYANA-UHFFFAOYSA-N 0 1 252.264 3.520 20 0 CHADMN CC(=O)c1c(Cl)cccc1OC1CCN(C2CC2)CC1 ZINC001227010456 1135774057 /nfs/dbraw/zinc/77/40/57/1135774057.db2.gz XZKDIBZCYUJGOB-UHFFFAOYSA-N 0 1 293.794 3.548 20 0 CHADMN COC1CCC(Oc2nc3ccc(Cl)cc3[nH]2)CC1 ZINC001227262035 1135812274 /nfs/dbraw/zinc/81/22/74/1135812274.db2.gz JRXWSPLCRYGBQI-UHFFFAOYSA-N 0 1 280.755 3.553 20 0 CHADMN Cc1cnc(F)c([C@@H](C)Oc2nc3cccc(C)c3[nH]2)c1 ZINC001227267301 1135812660 /nfs/dbraw/zinc/81/26/60/1135812660.db2.gz AZFXQDIZJRUSBR-LLVKDONJSA-N 0 1 285.322 3.854 20 0 CHADMN Cc1cccc2nc(O[C@H](C)c3ccncc3F)[nH]c21 ZINC001227267293 1135812707 /nfs/dbraw/zinc/81/27/07/1135812707.db2.gz AVWXUUAGQWDLSS-SNVBAGLBSA-N 0 1 271.295 3.545 20 0 CHADMN Cc1cccc2nc(O[C@@H](C)COc3ccccc3)[nH]c21 ZINC001227271071 1135814331 /nfs/dbraw/zinc/81/43/31/1135814331.db2.gz HOMQNYBNCGYKDK-ZDUSSCGKSA-N 0 1 282.343 3.718 20 0 CHADMN Cc1ccc2nc(=O)[nH]c(O[C@H](C)c3ccccc3F)c2c1 ZINC001227349494 1135824341 /nfs/dbraw/zinc/82/43/41/1135824341.db2.gz HUGRWUMVCZZFBP-LLVKDONJSA-N 0 1 298.317 3.923 20 0 CHADMN CC[C@]1(C)CCCN(Cc2nccn2Cc2ccccc2)C1 ZINC000353686717 529395569 /nfs/dbraw/zinc/39/55/69/529395569.db2.gz LFSCMMQPVZHMOW-LJQANCHMSA-N 0 1 297.446 3.944 20 0 CHADMN CC[C@]1(C)CCN(Cc2cc(-c3ccco3)on2)C1 ZINC000344240324 529400298 /nfs/dbraw/zinc/40/02/98/529400298.db2.gz CIPLDTQCWVCCSG-OAHLLOKOSA-N 0 1 260.337 3.557 20 0 CHADMN c1ccc2c(c1)CCC[C@@H]2Sc1nc(C2CC2)n[nH]1 ZINC000125570124 187191206 /nfs/dbraw/zinc/19/12/06/187191206.db2.gz OPESGKRTJSSLHD-ZDUSSCGKSA-N 0 1 271.389 3.852 20 0 CHADMN c1ccc2c(c1)CCC[C@@H]2Sc1n[nH]c(C2CC2)n1 ZINC000125570124 187191207 /nfs/dbraw/zinc/19/12/07/187191207.db2.gz OPESGKRTJSSLHD-ZDUSSCGKSA-N 0 1 271.389 3.852 20 0 CHADMN CCn1ccnc1CN1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000352800736 529568893 /nfs/dbraw/zinc/56/88/93/529568893.db2.gz IBZGERWLONZEKJ-RDJZCZTQSA-N 0 1 283.419 3.876 20 0 CHADMN CC[C@H](NCc1ccccc1OC(F)F)c1ccncc1 ZINC000347362027 529632173 /nfs/dbraw/zinc/63/21/73/529632173.db2.gz IJTLZCPKVSQVKN-AWEZNQCLSA-N 0 1 292.329 3.924 20 0 CHADMN CCc1ccc(CN2C[C@@H](C)[C@@H]2c2ccccc2)cn1 ZINC000347908001 529645385 /nfs/dbraw/zinc/64/53/85/529645385.db2.gz GJPDQOYNHHWLNY-RDTXWAMCSA-N 0 1 266.388 3.837 20 0 CHADMN CCc1cnc(CN[C@@H](CC)CC(F)(F)F)s1 ZINC000354643001 529653059 /nfs/dbraw/zinc/65/30/59/529653059.db2.gz PDDKEMXABZCDLD-QMMMGPOBSA-N 0 1 266.332 3.526 20 0 CHADMN CCc1cnc(CN[C@H](CC)CC(F)(F)F)s1 ZINC000354643000 529654049 /nfs/dbraw/zinc/65/40/49/529654049.db2.gz PDDKEMXABZCDLD-MRVPVSSYSA-N 0 1 266.332 3.526 20 0 CHADMN CCc1ccc(CN[C@@H]2CCOc3c(CC)cccc32)cn1 ZINC000352746088 529655927 /nfs/dbraw/zinc/65/59/27/529655927.db2.gz AHLXXHZQDQYKHF-GOSISDBHSA-N 0 1 296.414 3.820 20 0 CHADMN CCc1ccc(CN2CCCC[C@@H]2c2ccco2)cn1 ZINC000347782317 529638862 /nfs/dbraw/zinc/63/88/62/529638862.db2.gz PJGXMFLZLUEHCL-MRXNPFEDSA-N 0 1 270.376 3.964 20 0 CHADMN CCc1ccc([C@H](CC)NCc2ncccc2N(C)C)cc1 ZINC000353664887 529722517 /nfs/dbraw/zinc/72/25/17/529722517.db2.gz XHGHSAQFUYGTNN-KRWDZBQOSA-N 0 1 297.446 3.951 20 0 CHADMN CN(C)c1ccccc1CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000353701140 529794340 /nfs/dbraw/zinc/79/43/40/529794340.db2.gz ZRKPHEWVBPIQOV-GOSISDBHSA-N 0 1 295.430 3.731 20 0 CHADMN CN(C/C=C/c1ccc(F)cc1F)Cc1ccncc1 ZINC000350461215 529819901 /nfs/dbraw/zinc/81/99/01/529819901.db2.gz MQSUEECRUGBGRQ-NSCUHMNNSA-N 0 1 274.314 3.505 20 0 CHADMN CN(Cc1cscn1)CC1CCC(C)(C)CC1 ZINC000352758745 530020701 /nfs/dbraw/zinc/02/07/01/530020701.db2.gz IDEQFKZSZNQWQS-UHFFFAOYSA-N 0 1 252.427 3.791 20 0 CHADMN Cc1scc(CN[C@@H](C)c2cn3ccccc3n2)c1C ZINC000631683651 370708451 /nfs/dbraw/zinc/70/84/51/370708451.db2.gz SWRCYTNCVAGEMH-LBPRGKRZSA-N 0 1 285.416 3.863 20 0 CHADMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cnc(C2CC2)s1 ZINC000574240818 335003445 /nfs/dbraw/zinc/00/34/45/335003445.db2.gz QENBEAVONNUANS-CMPLNLGQSA-N 0 1 250.411 3.783 20 0 CHADMN CC[C@@H](C)C[N@@H+](C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000574213334 335001591 /nfs/dbraw/zinc/00/15/91/335001591.db2.gz OAZICCYUUGYCLL-SNVBAGLBSA-N 0 1 269.772 3.516 20 0 CHADMN C[C@@H](NCCn1ccnc1)c1cc(Cl)sc1Cl ZINC000155683761 261106043 /nfs/dbraw/zinc/10/60/43/261106043.db2.gz AXKKIYLXRWICJZ-MRVPVSSYSA-N 0 1 290.219 3.602 20 0 CHADMN COCCN(CCC1CCCCCC1)Cc1cncs1 ZINC000574334628 335011615 /nfs/dbraw/zinc/01/16/15/335011615.db2.gz XUFJJSRQTZJTLA-UHFFFAOYSA-N 0 1 296.480 3.952 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2nc(C)c(C)s2)CC1 ZINC000176364218 261279568 /nfs/dbraw/zinc/27/95/68/261279568.db2.gz SCLQRUQXGMJISZ-CQSZACIVSA-N 0 1 282.453 3.541 20 0 CHADMN C[C@H](NCCOCC1CC1)c1ccc(F)cc1Cl ZINC000178009104 261374813 /nfs/dbraw/zinc/37/48/13/261374813.db2.gz YOFSEINPVINGQB-JTQLQIEISA-N 0 1 271.763 3.556 20 0 CHADMN CC(C)[C@H](Cc1ccccc1)c1nc(C2(N)CCCC2)no1 ZINC000574451627 335020665 /nfs/dbraw/zinc/02/06/65/335020665.db2.gz FPKWDOHGEBLLLS-HNNXBMFYSA-N 0 1 299.418 3.780 20 0 CHADMN Cc1cccc(CN[C@@H](c2ccccc2F)[C@@H](C)O)c1C ZINC000574455499 335021171 /nfs/dbraw/zinc/02/11/71/335021171.db2.gz BNXAXXKTRAFCNG-RDTXWAMCSA-N 0 1 287.378 3.654 20 0 CHADMN CC(C)(NCc1ccc(Cl)cn1)c1cccs1 ZINC000574726358 335042751 /nfs/dbraw/zinc/04/27/51/335042751.db2.gz XEBKPMVCAHRWIG-UHFFFAOYSA-N 0 1 266.797 3.821 20 0 CHADMN COc1ccsc1CN1Cc2ccccc2C[C@H]1C ZINC000353667497 533098325 /nfs/dbraw/zinc/09/83/25/533098325.db2.gz UWNWYTUHEOVFSN-GFCCVEGCSA-N 0 1 273.401 3.704 20 0 CHADMN C[C@H](CN1CCC(CC(F)(F)F)CC1)C(F)(F)F ZINC000574829101 335051140 /nfs/dbraw/zinc/05/11/40/335051140.db2.gz AXTBDJZISUADQZ-MRVPVSSYSA-N 0 1 277.252 3.849 20 0 CHADMN CSC1(CN2CCc3c(F)cc(F)cc3[C@H]2C)CC1 ZINC000347921562 533483025 /nfs/dbraw/zinc/48/30/25/533483025.db2.gz QRGUZDQKTSROIW-SNVBAGLBSA-N 0 1 283.387 3.780 20 0 CHADMN C[C@@H](CC1CCCC1)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000352629135 533507122 /nfs/dbraw/zinc/50/71/22/533507122.db2.gz FJQHYIMPISPZHH-NSHDSACASA-N 0 1 271.364 3.718 20 0 CHADMN C[C@@H](CN1Cc2ccccc2OC(C)(C)C1)C(F)(F)F ZINC000575090076 335064054 /nfs/dbraw/zinc/06/40/54/335064054.db2.gz KFNAUOZREPNKHR-NSHDSACASA-N 0 1 287.325 3.858 20 0 CHADMN COc1cc(C)ccc1CNCc1cnc2ccccc2c1 ZINC000345001760 533670888 /nfs/dbraw/zinc/67/08/88/533670888.db2.gz UEBAUEYADPREKZ-UHFFFAOYSA-N 0 1 292.382 3.842 20 0 CHADMN Cc1n[nH]cc1CNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000341855625 130074639 /nfs/dbraw/zinc/07/46/39/130074639.db2.gz SVQDYSRIWXVGEF-UHFFFAOYSA-N 0 1 295.308 3.516 20 0 CHADMN C(C1CCC1)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000341881476 130107159 /nfs/dbraw/zinc/10/71/59/130107159.db2.gz RFNWIGRUJOISCN-AWEZNQCLSA-N 0 1 275.396 3.664 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000342022797 130204373 /nfs/dbraw/zinc/20/43/73/130204373.db2.gz PSEITWXVMWISPQ-GJZGRUSLSA-N 0 1 283.774 3.623 20 0 CHADMN Fc1ccc(Cl)cc1CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000342023634 130205379 /nfs/dbraw/zinc/20/53/79/130205379.db2.gz RASCEJRMWYBZIV-HUUCEWRRSA-N 0 1 283.774 3.623 20 0 CHADMN CCN(Cc1ncc(Br)s1)C1CCCC1 ZINC000341988161 130211218 /nfs/dbraw/zinc/21/12/18/130211218.db2.gz JPBAXONVIBULQW-UHFFFAOYSA-N 0 1 289.242 3.670 20 0 CHADMN CCOc1cccc(CN2CCC=C(c3ccccc3)C2)n1 ZINC000341990498 130213469 /nfs/dbraw/zinc/21/34/69/130213469.db2.gz NDWYWJUHKNTCNK-UHFFFAOYSA-N 0 1 294.398 3.770 20 0 CHADMN COCC[C@H](NCCF)c1ccc(Cl)c(Cl)c1 ZINC000342042872 130216159 /nfs/dbraw/zinc/21/61/59/130216159.db2.gz ZDWGVUNUTYXBQQ-LBPRGKRZSA-N 0 1 280.170 3.630 20 0 CHADMN CC(C)C[C@H](N)c1noc(C2CCCCCC2)n1 ZINC000342028907 130244821 /nfs/dbraw/zinc/24/48/21/130244821.db2.gz RYOIZQHIWPSJLL-LBPRGKRZSA-N 0 1 251.374 3.553 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3CCC[C@@H](C)C3)ccc12 ZINC000354989921 533672281 /nfs/dbraw/zinc/67/22/81/533672281.db2.gz LAQLJMJBSZRKEZ-ZYHUDNBSSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000007053418 170264625 /nfs/dbraw/zinc/26/46/25/170264625.db2.gz DKVUOPLKYNBVMQ-UHFFFAOYSA-N 0 1 299.754 3.588 20 0 CHADMN CC(=O)c1cccc(NC(=O)c2ccc(O)c(Cl)c2)c1 ZINC000019519181 170825078 /nfs/dbraw/zinc/82/50/78/170825078.db2.gz KUUHERVRBYJWIL-UHFFFAOYSA-N 0 1 289.718 3.501 20 0 CHADMN Cc1ccc(C)c(NC(=O)c2ccc(O)c(Cl)c2)c1 ZINC000019840447 170889595 /nfs/dbraw/zinc/88/95/95/170889595.db2.gz YWCXGXCFVWORHS-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@H](C)c1ccncc1 ZINC000020121443 171000144 /nfs/dbraw/zinc/00/01/44/171000144.db2.gz AYLNQBXDQGZJLF-ZIAGYGMSSA-N 0 1 270.376 3.892 20 0 CHADMN C[C@@H](NCc1ccc(Br)s1)c1ccncc1 ZINC000020121534 171001076 /nfs/dbraw/zinc/00/10/76/171001076.db2.gz MYPDWVQOEJKAJM-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2N[C@@H](C)c1ccccn1 ZINC000020123720 171004629 /nfs/dbraw/zinc/00/46/29/171004629.db2.gz UHXUTIIVTRFUGO-SCLBCKFNSA-N 0 1 282.387 3.818 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@H](C)c1cccnc1 ZINC000020127765 171014129 /nfs/dbraw/zinc/01/41/29/171014129.db2.gz PYISRBLGBTZSCM-ZIAGYGMSSA-N 0 1 270.376 3.892 20 0 CHADMN C[C@@H](NCc1cccnc1)c1ccc(F)c(Cl)c1 ZINC000020141260 171027922 /nfs/dbraw/zinc/02/79/22/171027922.db2.gz QNCWFOWKXLLMDF-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc3ccccc3o2)cn1 ZINC000020186430 171049882 /nfs/dbraw/zinc/04/98/82/171049882.db2.gz WJPNPCVPDCTNAD-GFCCVEGCSA-N 0 1 282.343 3.687 20 0 CHADMN Cc1noc(C)c1CN[C@@H](C)c1cccc(Cl)c1 ZINC000020253191 171105451 /nfs/dbraw/zinc/10/54/51/171105451.db2.gz PIDIJUOEXZNSMM-VIFPVBQESA-N 0 1 264.756 3.796 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1cccc(Cl)c1 ZINC000020253190 171106265 /nfs/dbraw/zinc/10/62/65/171106265.db2.gz PIDIJUOEXZNSMM-SECBINFHSA-N 0 1 264.756 3.796 20 0 CHADMN C[C@@H](NCc1ccco1)c1ccc(Br)cc1 ZINC000022164622 171365388 /nfs/dbraw/zinc/36/53/88/171365388.db2.gz QDRYCMLVDYSSKN-SNVBAGLBSA-N 0 1 280.165 3.893 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@@H](C)c1ccc(Cl)s1 ZINC000035253690 172083506 /nfs/dbraw/zinc/08/35/06/172083506.db2.gz PWXKLLXZEHXASC-VIFPVBQESA-N 0 1 283.828 3.603 20 0 CHADMN Cc1noc(C)c1CN[C@@H](C)c1ccc(Cl)s1 ZINC000035253717 172083568 /nfs/dbraw/zinc/08/35/68/172083568.db2.gz DQPDIMMOXWKTHG-QMMMGPOBSA-N 0 1 270.785 3.857 20 0 CHADMN CC[C@H](NCc1ccsc1)c1ccccc1OC ZINC000035272809 172093332 /nfs/dbraw/zinc/09/33/32/172093332.db2.gz WEWCXRXJPWEILZ-AWEZNQCLSA-N 0 1 261.390 3.998 20 0 CHADMN CCN[C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000035538773 172245611 /nfs/dbraw/zinc/24/56/11/172245611.db2.gz RUFQJSWZSODEEH-CYBMUJFWSA-N 0 1 280.165 3.741 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccco2)cc1F ZINC000035738717 172392718 /nfs/dbraw/zinc/39/27/18/172392718.db2.gz KXZJXQGKWXSHLI-MNOVXSKESA-N 0 1 263.312 3.839 20 0 CHADMN Cc1cccc(CNc2ccc3c[nH]nc3c2)c1C ZINC000043314097 175003830 /nfs/dbraw/zinc/00/38/30/175003830.db2.gz BGDLPWMCICCKLN-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN Cc1ccc(C[NH2+]Cc2ccc([O-])c(Cl)c2)cc1 ZINC000043476935 175054422 /nfs/dbraw/zinc/05/44/22/175054422.db2.gz SAODYRADCCIIIR-UHFFFAOYSA-N 0 1 261.752 3.644 20 0 CHADMN Fc1cc(C[N@@H+](C2CC2)C2CCCC2)c2c(c1)COCO2 ZINC000171617389 335072652 /nfs/dbraw/zinc/07/26/52/335072652.db2.gz QVQIGKHKQGQVNP-UHFFFAOYSA-N 0 1 291.366 3.599 20 0 CHADMN Cc1cc([C@H](C)NCc2scnc2C)c(C)o1 ZINC000071212642 176084138 /nfs/dbraw/zinc/08/41/38/176084138.db2.gz LNERCOGBWZFSIM-VIFPVBQESA-N 0 1 250.367 3.512 20 0 CHADMN CC[C@H](O)[C@H]1CCCCN1Cc1c(F)cccc1Cl ZINC000078724651 177376633 /nfs/dbraw/zinc/37/66/33/177376633.db2.gz DCBSTLMYLIACIN-CABCVRRESA-N 0 1 285.790 3.605 20 0 CHADMN COC(=O)c1ccoc1CN1CCC[C@H](C(C)(C)C)CC1 ZINC000078758997 177382597 /nfs/dbraw/zinc/38/25/97/177382597.db2.gz LNVWDFSSCRAWRF-ZDUSSCGKSA-N 0 1 293.407 3.714 20 0 CHADMN c1oc(-c2ccccc2)nc1CNC[C@@H]1CCCCS1 ZINC000344359438 225042539 /nfs/dbraw/zinc/04/25/39/225042539.db2.gz PMLXHVUAWZTTQH-HNNXBMFYSA-N 0 1 288.416 3.717 20 0 CHADMN Fc1ccc(CN2CCCc3occc3C2)c2ncccc12 ZINC000344257527 225006913 /nfs/dbraw/zinc/00/69/13/225006913.db2.gz JNZNOBGJYWPBAM-UHFFFAOYSA-N 0 1 296.345 3.915 20 0 CHADMN CO[C@@H](C)c1nc(CN(C)[C@@H]2CCC(C)(C)C2)cs1 ZINC000344470907 225069127 /nfs/dbraw/zinc/06/91/27/225069127.db2.gz XGBBSXRXWLBVSS-WCQYABFASA-N 0 1 282.453 3.861 20 0 CHADMN Cc1cc(CN(C2CC2)[C@@H]2CCc3ccccc32)on1 ZINC000344477897 225070136 /nfs/dbraw/zinc/07/01/36/225070136.db2.gz QIGDXTSAOQCVME-QGZVFWFLSA-N 0 1 268.360 3.635 20 0 CHADMN Cc1n[nH]cc1CN[C@@H](c1cc2ccccc2o1)C(C)C ZINC000344510174 225088664 /nfs/dbraw/zinc/08/86/64/225088664.db2.gz COWPVKQPKMIASE-QGZVFWFLSA-N 0 1 283.375 3.951 20 0 CHADMN Cn1nccc1[C@H]1CCCC[N@H+]1CCCCC(F)(F)F ZINC000366885228 225237648 /nfs/dbraw/zinc/23/76/48/225237648.db2.gz PLMSCQYWIJYSLY-CYBMUJFWSA-N 0 1 289.345 3.680 20 0 CHADMN Cn1nccc1[C@H]1CCCCN1CCCCC(F)(F)F ZINC000366885228 225237651 /nfs/dbraw/zinc/23/76/51/225237651.db2.gz PLMSCQYWIJYSLY-CYBMUJFWSA-N 0 1 289.345 3.680 20 0 CHADMN CCc1oc2ccccc2c1CNCc1ccc(F)cn1 ZINC000344908801 225200745 /nfs/dbraw/zinc/20/07/45/225200745.db2.gz SHCVDGPLRLPIIY-UHFFFAOYSA-N 0 1 284.334 3.819 20 0 CHADMN COc1c(O)cccc1CN[C@H]1CCCc2sccc21 ZINC000344920214 225218830 /nfs/dbraw/zinc/21/88/30/225218830.db2.gz DKOHIQMVCMAQRQ-ZDUSSCGKSA-N 0 1 289.400 3.630 20 0 CHADMN C[C@H](N[C@H]1CCCN(C)c2ccccc21)c1cncc(F)c1 ZINC000334684121 225247657 /nfs/dbraw/zinc/24/76/57/225247657.db2.gz DGGAMZLYRVMAHM-GUYCJALGSA-N 0 1 299.393 3.843 20 0 CHADMN Cc1occc1CN1CCC[C@H]1c1cccc(C)n1 ZINC000334840559 225332353 /nfs/dbraw/zinc/33/23/53/225332353.db2.gz HXSSHGCMDNCVCH-INIZCTEOSA-N 0 1 256.349 3.629 20 0 CHADMN C[C@@]12CCN(Cc3cnc(C4CCC4)s3)C[C@@H]1C2(F)F ZINC000334907011 225360175 /nfs/dbraw/zinc/36/01/75/225360175.db2.gz CYSNSUIJVWLXEO-GXTWGEPZSA-N 0 1 298.402 3.888 20 0 CHADMN COc1ccncc1CN[C@@H](C)c1c(C)cccc1C ZINC000347244117 226077906 /nfs/dbraw/zinc/07/79/06/226077906.db2.gz ZDGQVBBUIYAKHS-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)N1CC[C@@H](C)[C@@H](C)C1 ZINC000347585678 226209017 /nfs/dbraw/zinc/20/90/17/226209017.db2.gz HVACIXYUCDBBLG-GRYCIOLGSA-N 0 1 291.420 3.837 20 0 CHADMN Cc1cnn(C)c1CN(Cc1ccc(C)c(C)c1)C1CC1 ZINC000347863731 226386720 /nfs/dbraw/zinc/38/67/20/226386720.db2.gz XAHFMKPPJSYRGV-UHFFFAOYSA-N 0 1 283.419 3.510 20 0 CHADMN CCn1cc(CN(Cc2ccccc2F)CC(C)C)cn1 ZINC000350702614 227059131 /nfs/dbraw/zinc/05/91/31/227059131.db2.gz UFGCAIPVWMDXNV-UHFFFAOYSA-N 0 1 289.398 3.700 20 0 CHADMN Cc1cccc(NCCc2cn(C)c3cc(F)ccc23)n1 ZINC000354781940 227104493 /nfs/dbraw/zinc/10/44/93/227104493.db2.gz AFCADWMAJUMXLR-UHFFFAOYSA-N 0 1 283.350 3.675 20 0 CHADMN Clc1ccc([C@H]2CCN2CCc2cccnc2)cc1 ZINC000352666985 227150288 /nfs/dbraw/zinc/15/02/88/227150288.db2.gz IWNVOYXJMYQSBX-MRXNPFEDSA-N 0 1 272.779 3.725 20 0 CHADMN C[C@H]1CN(Cc2cccc(-c3ccccn3)c2)CC(C)(C)O1 ZINC000352732965 227194274 /nfs/dbraw/zinc/19/42/74/227194274.db2.gz ARAZHTKJUNWNBO-HNNXBMFYSA-N 0 1 296.414 3.748 20 0 CHADMN Cc1oc2ccccc2c1CN1C[C@@H](C)OC(C)(C)C1 ZINC000352740847 227196724 /nfs/dbraw/zinc/19/67/24/227196724.db2.gz AUCYYKDYWLLMHP-GFCCVEGCSA-N 0 1 273.376 3.741 20 0 CHADMN FC(F)(F)c1cscc1CNc1ccc2nn[nH]c2c1 ZINC000352811060 227249674 /nfs/dbraw/zinc/24/96/74/227249674.db2.gz PZULBANKVLHSCT-UHFFFAOYSA-N 0 1 298.293 3.650 20 0 CHADMN FC(F)(F)c1cscc1CNc1ccc2n[nH]nc2c1 ZINC000352811060 227249677 /nfs/dbraw/zinc/24/96/77/227249677.db2.gz PZULBANKVLHSCT-UHFFFAOYSA-N 0 1 298.293 3.650 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1nc2ccc(Cl)cc2n1C ZINC000354996907 227297255 /nfs/dbraw/zinc/29/72/55/227297255.db2.gz XVYXQZTTYVLBRK-QWRGUYRKSA-N 0 1 277.799 3.600 20 0 CHADMN Cc1cn[nH]c1CNc1cccc(COCc2ccco2)c1 ZINC000352839354 227315060 /nfs/dbraw/zinc/31/50/60/227315060.db2.gz JRXGLZFAAXNVRZ-UHFFFAOYSA-N 0 1 297.358 3.640 20 0 CHADMN COc1ccnc(NCc2cscc2C(F)(F)F)c1 ZINC000352838838 227315309 /nfs/dbraw/zinc/31/53/09/227315309.db2.gz RATWNWWFQYJJFP-UHFFFAOYSA-N 0 1 288.294 3.783 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1c(C)cccc1C ZINC000355030869 227328920 /nfs/dbraw/zinc/32/89/20/227328920.db2.gz DUMJBBRIOJCTSR-CYBMUJFWSA-N 0 1 258.365 3.759 20 0 CHADMN Cc1ccccc1[C@@H](O)CNc1ccnc2cc(F)ccc21 ZINC000301252000 227488436 /nfs/dbraw/zinc/48/84/36/227488436.db2.gz JLGLHFLISXTVMJ-SFHVURJKSA-N 0 1 296.345 3.828 20 0 CHADMN Cc1nnc([C@H](C)NCCc2ccc3ccccc3c2)s1 ZINC000353565800 228121689 /nfs/dbraw/zinc/12/16/89/228121689.db2.gz CJICIKKZYAOLKK-LBPRGKRZSA-N 0 1 297.427 3.893 20 0 CHADMN CCc1nnc(CN[C@H](C)C[C@H](C)CC(C)C)s1 ZINC000353550932 228118958 /nfs/dbraw/zinc/11/89/58/228118958.db2.gz STQYCRFTUQAIFT-VXGBXAGGSA-N 0 1 269.458 3.651 20 0 CHADMN C[C@H]1CC(c2nc(C3(N)CCCCC3)no2)C[C@H](C)C1 ZINC000331695532 228119484 /nfs/dbraw/zinc/11/94/84/228119484.db2.gz UNJNDZAOPFSUAI-VXGBXAGGSA-N 0 1 277.412 3.727 20 0 CHADMN Cc1ccccc1[C@H](C)N1CCOc2cc(O)ccc2C1 ZINC000353139089 228062962 /nfs/dbraw/zinc/06/29/62/228062962.db2.gz NVMXSKGLXUBVRV-AWEZNQCLSA-N 0 1 283.371 3.656 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)no1 ZINC000353252832 228074940 /nfs/dbraw/zinc/07/49/40/228074940.db2.gz KFLBGPQKAIPPGD-JRATXPSKSA-N 0 1 286.375 3.587 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@@H](c2cccnc2)C2CC2)c1 ZINC000353611855 228131356 /nfs/dbraw/zinc/13/13/56/228131356.db2.gz FVZDPYOLBFTXOH-CXAGYDPISA-N 0 1 267.376 3.587 20 0 CHADMN Cc1nnc([C@H](C)NCC[C@H]2CCC[C@@H](C)C2)s1 ZINC000353638417 228136480 /nfs/dbraw/zinc/13/64/80/228136480.db2.gz RHNXVVXGDZFXOM-NTZNESFSSA-N 0 1 267.442 3.714 20 0 CHADMN Fc1ccc(CN2CCCC3(CCOCC3)C2)c(Cl)c1 ZINC000353671432 228142924 /nfs/dbraw/zinc/14/29/24/228142924.db2.gz KIZIZYCNQBVLLM-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN Cn1c2cc(Cl)ccc2nc1CN1CCC2(CCC2)C1 ZINC000353692946 228145414 /nfs/dbraw/zinc/14/54/14/228145414.db2.gz WIJBEPACRMOSFS-UHFFFAOYSA-N 0 1 289.810 3.603 20 0 CHADMN Cc1cccc(CN2CC(C)(C)[C@@H]2c2ccncc2)c1 ZINC000353707587 228146708 /nfs/dbraw/zinc/14/67/08/228146708.db2.gz FEOAMHJTKJQNCO-KRWDZBQOSA-N 0 1 266.388 3.973 20 0 CHADMN Fc1ccc(CN2CCC3(CCC3)C2)c(Cl)c1 ZINC000353712335 228147401 /nfs/dbraw/zinc/14/74/01/228147401.db2.gz JCZUPGUJCVSBCK-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN Fc1c(Cl)cccc1CN1CCC[C@]2(CCCOC2)C1 ZINC000353743599 228149161 /nfs/dbraw/zinc/14/91/61/228149161.db2.gz CYCWLXUJPWEEFZ-INIZCTEOSA-N 0 1 297.801 3.872 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000353751530 228150834 /nfs/dbraw/zinc/15/08/34/228150834.db2.gz QFLUBDSITOODTR-UHFFFAOYSA-N 0 1 296.414 3.736 20 0 CHADMN Cc1ccccc1CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000335955774 228169568 /nfs/dbraw/zinc/16/95/68/228169568.db2.gz SCJUDKQENFJCLB-UHFFFAOYSA-N 0 1 293.725 3.674 20 0 CHADMN Cc1cc(CN2CCc3ccc(O)cc3C2)c(C)s1 ZINC000351965311 228170122 /nfs/dbraw/zinc/17/01/22/228170122.db2.gz RYCPYOUOEZPBCU-UHFFFAOYSA-N 0 1 273.401 3.629 20 0 CHADMN OC[C@@H](NCc1ccc(C(F)F)cc1)c1ccsc1 ZINC000352033416 228176431 /nfs/dbraw/zinc/17/64/31/228176431.db2.gz SYMPVPVUNNXGFS-CYBMUJFWSA-N 0 1 283.343 3.509 20 0 CHADMN c1nc(-c2ccccn2)sc1CN1CC2(C1)CCCC2 ZINC000336084215 228185962 /nfs/dbraw/zinc/18/59/62/228185962.db2.gz FVSZMKHCXLNIGC-UHFFFAOYSA-N 0 1 285.416 3.581 20 0 CHADMN C[C@@H]1CCCCN1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000336138068 228194021 /nfs/dbraw/zinc/19/40/21/228194021.db2.gz XDZWNPCDAHYHIU-LLVKDONJSA-N 0 1 291.782 3.764 20 0 CHADMN Cc1oncc1CN[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000352193254 228194966 /nfs/dbraw/zinc/19/49/66/228194966.db2.gz ZGAQCZCKGFQQDJ-SECBINFHSA-N 0 1 284.281 3.853 20 0 CHADMN Cc1oncc1CN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000352193255 228195025 /nfs/dbraw/zinc/19/50/25/228195025.db2.gz ZGAQCZCKGFQQDJ-VIFPVBQESA-N 0 1 284.281 3.853 20 0 CHADMN NC1(c2noc([C@H]3C[C@@H]3C3CCCCC3)n2)CCCCC1 ZINC000333585902 228205591 /nfs/dbraw/zinc/20/55/91/228205591.db2.gz OMGVTMCQCSSVSH-KGLIPLIRSA-N 0 1 289.423 3.872 20 0 CHADMN COc1ccc(OC)c(CNCc2ccc3occc3c2)c1 ZINC000352246649 228206424 /nfs/dbraw/zinc/20/64/24/228206424.db2.gz RAYAYQROJXNKIP-UHFFFAOYSA-N 0 1 297.354 3.740 20 0 CHADMN Cc1[nH]ncc1CNc1ccc(OC(C)C)c(Cl)c1 ZINC000037414027 260102911 /nfs/dbraw/zinc/10/29/11/260102911.db2.gz GRPKNBOVGRSVNO-UHFFFAOYSA-N 0 1 279.771 3.771 20 0 CHADMN Fc1ccc([C@H]2CN(C[C@H]3CC=CCC3)CCO2)cc1 ZINC000179425989 260047630 /nfs/dbraw/zinc/04/76/30/260047630.db2.gz GCIDKMFCCZRXQG-WMLDXEAASA-N 0 1 275.367 3.555 20 0 CHADMN Cc1noc(C)c1CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000036935158 260053597 /nfs/dbraw/zinc/05/35/97/260053597.db2.gz DMXUFCFUFHACIE-VIFPVBQESA-N 0 1 296.317 3.744 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)Cc1cnn2ccccc12 ZINC000179802513 260071970 /nfs/dbraw/zinc/07/19/70/260071970.db2.gz XQSMYOJUHRMJFJ-CYBMUJFWSA-N 0 1 283.350 3.666 20 0 CHADMN Cc1c2ccccc2oc1[C@H](C)NCc1cccnc1 ZINC000037232166 260076501 /nfs/dbraw/zinc/07/65/01/260076501.db2.gz IAUPGSSQYGWIMI-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN Cc1ccc(F)cc1CN1CCC(C(F)(F)F)CC1 ZINC000179915302 260080066 /nfs/dbraw/zinc/08/00/66/260080066.db2.gz PHEFMEVDLVRZGK-UHFFFAOYSA-N 0 1 275.289 3.908 20 0 CHADMN Cc1cccc(C[N@@H+](C)CC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000517750353 260090854 /nfs/dbraw/zinc/09/08/54/260090854.db2.gz DQKPKEHDYJUOQE-SFHVURJKSA-N 0 1 297.398 3.685 20 0 CHADMN CCc1cccc(CN[C@H](C)c2ccncc2OC)c1 ZINC000521383781 260092190 /nfs/dbraw/zinc/09/21/90/260092190.db2.gz DOXHWMXDUDNLOL-CYBMUJFWSA-N 0 1 270.376 3.503 20 0 CHADMN CCCn1cc(CN2CCC[C@H]2c2cccc(F)c2)cn1 ZINC000180154742 260094587 /nfs/dbraw/zinc/09/45/87/260094587.db2.gz ZYMPUZYDVBWUHQ-KRWDZBQOSA-N 0 1 287.382 3.769 20 0 CHADMN COCc1ccccc1CN[C@H](C)c1ccccc1OC ZINC000037762715 260117135 /nfs/dbraw/zinc/11/71/35/260117135.db2.gz NNVZPNMNVPYWKY-CQSZACIVSA-N 0 1 285.387 3.692 20 0 CHADMN CC(C)[C@H]1CCN(Cc2ccc(Br)o2)C1 ZINC000306518141 260123836 /nfs/dbraw/zinc/12/38/36/260123836.db2.gz BPGNOEVYZVJIIW-JTQLQIEISA-N 0 1 272.186 3.520 20 0 CHADMN CC[C@H](N[C@H](C)c1nccn1C)c1ccc(C)cc1 ZINC000070444356 260157574 /nfs/dbraw/zinc/15/75/74/260157574.db2.gz TVVMKAJGJOQRLY-HIFRSBDPSA-N 0 1 257.381 3.530 20 0 CHADMN c1nn2ccccc2c1CN[C@H]1CCSc2ccccc21 ZINC000071373029 260161649 /nfs/dbraw/zinc/16/16/49/260161649.db2.gz KUWXGDTXJLQYMZ-HNNXBMFYSA-N 0 1 295.411 3.661 20 0 CHADMN COc1ccc(CNc2ccnc(C)c2Cl)cc1OC ZINC000312618677 260183777 /nfs/dbraw/zinc/18/37/77/260183777.db2.gz UYCFETPDZJPQOB-UHFFFAOYSA-N 0 1 292.766 3.673 20 0 CHADMN COC[C@@H](N[C@@H](C)c1ccccc1OC)c1ccccc1 ZINC000089667772 260192423 /nfs/dbraw/zinc/19/24/23/260192423.db2.gz DWUCELSKLFQVAZ-WMLDXEAASA-N 0 1 285.387 3.734 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@@H+](C)CCOC[C@H]1CCCO1 ZINC000525488290 260200297 /nfs/dbraw/zinc/20/02/97/260200297.db2.gz JIYJESLLGANYMZ-UONOGXRCSA-N 0 1 297.826 3.528 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)CCOC[C@H]1CCCO1 ZINC000525488290 260200298 /nfs/dbraw/zinc/20/02/98/260200298.db2.gz JIYJESLLGANYMZ-UONOGXRCSA-N 0 1 297.826 3.528 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@H](O)C(C)(C)C ZINC000310747885 260226912 /nfs/dbraw/zinc/22/69/12/260226912.db2.gz HALXIRFFKYQFDX-RISCZKNCSA-N 0 1 269.816 3.740 20 0 CHADMN COc1ccc([C@H](C)NCc2ccncc2Cl)cc1 ZINC000090340184 260257802 /nfs/dbraw/zinc/25/78/02/260257802.db2.gz CBRYRRIBLJDWJL-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN Cc1ncc(CNCc2ccsc2)n1-c1ccccc1 ZINC000090992094 260263905 /nfs/dbraw/zinc/26/39/05/260263905.db2.gz BOKUOTKWPBSGJP-UHFFFAOYSA-N 0 1 283.400 3.532 20 0 CHADMN CCN(Cc1cccs1)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000091781153 260266169 /nfs/dbraw/zinc/26/61/69/260266169.db2.gz WZEPYIMOQJIHCN-NSHDSACASA-N 0 1 293.388 3.711 20 0 CHADMN CCN(Cc1ccccc1)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000091780308 260266392 /nfs/dbraw/zinc/26/63/92/260266392.db2.gz ZBUCUCLYBDYSID-CYBMUJFWSA-N 0 1 287.359 3.649 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000092195300 260268615 /nfs/dbraw/zinc/26/86/15/260268615.db2.gz IQXKOMGDVPNQJM-OLZOCXBDSA-N 0 1 258.340 3.941 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cc(O)cc(F)c2)c1 ZINC000223142051 260274910 /nfs/dbraw/zinc/27/49/10/260274910.db2.gz AKBFFDRVFPKIHZ-GFCCVEGCSA-N 0 1 259.324 3.691 20 0 CHADMN CC[C@H](NCc1ccc2[nH]cnc2c1)c1nc(C)cs1 ZINC000518273778 260366344 /nfs/dbraw/zinc/36/63/44/260366344.db2.gz GEYOLRREXKPYPN-LBPRGKRZSA-N 0 1 286.404 3.569 20 0 CHADMN CC[C@H](NCc1ccc2nc[nH]c2c1)c1nc(C)cs1 ZINC000518273778 260366347 /nfs/dbraw/zinc/36/63/47/260366347.db2.gz GEYOLRREXKPYPN-LBPRGKRZSA-N 0 1 286.404 3.569 20 0 CHADMN C[C@H](NCc1ccccc1-n1cccn1)c1ccccc1F ZINC000128909633 260379566 /nfs/dbraw/zinc/37/95/66/260379566.db2.gz ZXECFJZTXYIOCI-AWEZNQCLSA-N 0 1 295.361 3.862 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000427208628 260570298 /nfs/dbraw/zinc/57/02/98/260570298.db2.gz GZMOTDFWJUOZFC-BLLLJJGKSA-N 0 1 285.391 3.604 20 0 CHADMN C[C@@H]1C[C@@H](C)N1Cc1cnc(-c2cccs2)s1 ZINC000525996767 260693586 /nfs/dbraw/zinc/69/35/86/260693586.db2.gz HFPHNZOLKHZQPC-NXEZZACHSA-N 0 1 264.419 3.854 20 0 CHADMN Cc1cc(C)n(-c2ccccc2CNCc2ccc(C)o2)n1 ZINC000152300983 261062662 /nfs/dbraw/zinc/06/26/62/261062662.db2.gz OYGKJPKRZPOSOT-UHFFFAOYSA-N 0 1 295.386 3.680 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)cc1N(C)C)c1ccccn1 ZINC000152397496 261063919 /nfs/dbraw/zinc/06/39/19/261063919.db2.gz GNHCUJWDKNBQNN-CHWSQXEVSA-N 0 1 287.382 3.699 20 0 CHADMN COc1ncccc1CN[C@@H]1C[C@H](C)c2c1cccc2C ZINC000152838494 261070026 /nfs/dbraw/zinc/07/00/26/261070026.db2.gz HNLXLWANOHIQOA-XJKSGUPXSA-N 0 1 282.387 3.737 20 0 CHADMN Cc1nn(C)cc1CN1CCC[C@H]1c1ccccc1Cl ZINC000153397798 261077806 /nfs/dbraw/zinc/07/78/06/261077806.db2.gz VZFHTNKQXOLLAA-INIZCTEOSA-N 0 1 289.810 3.719 20 0 CHADMN C[C@@H](C1CC1)N(Cc1nnc(-c2ccccc2)s1)C1CC1 ZINC000155113099 261098439 /nfs/dbraw/zinc/09/84/39/261098439.db2.gz IRTBFAHTCZLUMU-LBPRGKRZSA-N 0 1 299.443 3.968 20 0 CHADMN CCc1nc(S[C@@H]2CCCc3ccc(F)cc32)n[nH]1 ZINC000155366409 261101259 /nfs/dbraw/zinc/10/12/59/261101259.db2.gz NNBRXUQAFOXMQR-GFCCVEGCSA-N 0 1 277.368 3.676 20 0 CHADMN CCc1n[nH]c(S[C@@H]2CCCc3ccc(F)cc32)n1 ZINC000155366409 261101261 /nfs/dbraw/zinc/10/12/61/261101261.db2.gz NNBRXUQAFOXMQR-GFCCVEGCSA-N 0 1 277.368 3.676 20 0 CHADMN C[C@H]1CCN(Cc2ncc(C(C)(C)C)s2)[C@H]1C ZINC000448333013 261116864 /nfs/dbraw/zinc/11/68/64/261116864.db2.gz RIGQSCBWNUJKGY-QWRGUYRKSA-N 0 1 252.427 3.671 20 0 CHADMN CC[C@@H]1CCN(Cc2ncc(C(C)(C)C)s2)C1 ZINC000448336804 261118719 /nfs/dbraw/zinc/11/87/19/261118719.db2.gz IGSNKZWVMXMMGH-LLVKDONJSA-N 0 1 252.427 3.673 20 0 CHADMN C[C@@H](NCc1ccnc(OC2CCCC2)c1)c1ccncc1 ZINC000156444490 261122764 /nfs/dbraw/zinc/12/27/64/261122764.db2.gz CSSXCJYPLILGIO-CQSZACIVSA-N 0 1 297.402 3.649 20 0 CHADMN Cc1ccc2ncc(CNC3(c4cccc(F)c4)CC3)n2c1 ZINC000157064631 261139021 /nfs/dbraw/zinc/13/90/21/261139021.db2.gz HDOCVGNNYBAQAE-UHFFFAOYSA-N 0 1 295.361 3.561 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc([S@](C)=O)cc2)o1 ZINC000158157020 261159704 /nfs/dbraw/zinc/15/97/04/261159704.db2.gz IIKUCQVNZGKKIO-VFGMZZLHSA-N 0 1 291.416 3.737 20 0 CHADMN C[C@@H](NCc1ccn(C)c1)c1ccccc1OC(F)(F)F ZINC000158465788 261164864 /nfs/dbraw/zinc/16/48/64/261164864.db2.gz FHANNDBTTXCBPG-LLVKDONJSA-N 0 1 298.308 3.775 20 0 CHADMN Cc1ccc(OC(F)F)c([C@H](C)NCc2ccn(C)c2)c1 ZINC000158482772 261165746 /nfs/dbraw/zinc/16/57/46/261165746.db2.gz BSFJIFNKQGSZMP-LBPRGKRZSA-N 0 1 294.345 3.786 20 0 CHADMN CCC[C@@]1(C)CCCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000173651925 261167169 /nfs/dbraw/zinc/16/71/69/261167169.db2.gz NBMOYOFXLBUEAA-KRWDZBQOSA-N 0 1 285.391 3.605 20 0 CHADMN C[C@@H](N[C@@H](C)C1CCCC1)c1nc(Cc2ccccc2)no1 ZINC000173777568 261169618 /nfs/dbraw/zinc/16/96/18/261169618.db2.gz UOGXMUQRPHPDBU-UONOGXRCSA-N 0 1 299.418 3.890 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2csc3ccccc23)[C@H]1C(=O)[O-] ZINC000300295439 261190449 /nfs/dbraw/zinc/19/04/49/261190449.db2.gz OGAVVHSHSQAGGP-XHDPSFHLSA-N 0 1 289.400 3.586 20 0 CHADMN CCCCCC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000161535397 261250649 /nfs/dbraw/zinc/25/06/49/261250649.db2.gz KIOTUBDWTKXOSU-UHFFFAOYSA-N 0 1 275.352 3.805 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)CCC(C)C)c2C)o1 ZINC000161559049 261251222 /nfs/dbraw/zinc/25/12/22/261251222.db2.gz PFUIWUDQSXQEMW-UHFFFAOYSA-N 0 1 275.352 3.661 20 0 CHADMN CCCOc1ccc(CN[C@@H](C)c2cnc(C)nc2C)cc1 ZINC000161672345 261256145 /nfs/dbraw/zinc/25/61/45/261256145.db2.gz XPSPASRVOZFZHZ-ZDUSSCGKSA-N 0 1 299.418 3.733 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)N[C@H](C)c1cnc(C)nc1C ZINC000162374662 261279687 /nfs/dbraw/zinc/27/96/87/261279687.db2.gz FIEOYCJLJRNOCP-CHWSQXEVSA-N 0 1 299.418 3.822 20 0 CHADMN Cc1nc(CN2CCS[C@H]3CCCC[C@@H]32)sc1C ZINC000176391647 261282009 /nfs/dbraw/zinc/28/20/09/261282009.db2.gz MXEHKTYCELXUTB-STQMWFEESA-N 0 1 282.478 3.620 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1ncc(C)c(OC)c1C ZINC000162540388 261284819 /nfs/dbraw/zinc/28/48/19/261284819.db2.gz JFNDXACTXGZNCR-KRWDZBQOSA-N 0 1 299.418 3.685 20 0 CHADMN CCCCN(C)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000176987223 261325164 /nfs/dbraw/zinc/32/51/64/261325164.db2.gz QVLTTWKJVGGJJK-UHFFFAOYSA-N 0 1 276.163 3.571 20 0 CHADMN Cc1ccc(O)c(CN[C@@H](C)c2cc3ccccc3o2)n1 ZINC000103341083 261327740 /nfs/dbraw/zinc/32/77/40/261327740.db2.gz CVWLNOXHTKEZOY-LBPRGKRZSA-N 0 1 282.343 3.693 20 0 CHADMN C[C@@H](NCc1cccc(Br)n1)c1cccs1 ZINC000164206370 261344229 /nfs/dbraw/zinc/34/42/29/261344229.db2.gz KHXBYSHZFBYOOG-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN COc1ccc(CNCc2ccc(C3CC3)cc2)c(OC)c1 ZINC000177608708 261364196 /nfs/dbraw/zinc/36/41/96/261364196.db2.gz DAZQRGWKNCWELJ-UHFFFAOYSA-N 0 1 297.398 3.871 20 0 CHADMN COc1cccc([C@@H](C)Sc2nc(C3CC3)n[nH]2)c1 ZINC000178000192 261375707 /nfs/dbraw/zinc/37/57/07/261375707.db2.gz MBTGCDOCLDIEMR-SECBINFHSA-N 0 1 275.377 3.544 20 0 CHADMN COc1cccc([C@@H](C)Sc2n[nH]c(C3CC3)n2)c1 ZINC000178000192 261375708 /nfs/dbraw/zinc/37/57/08/261375708.db2.gz MBTGCDOCLDIEMR-SECBINFHSA-N 0 1 275.377 3.544 20 0 CHADMN Cn1c(CN[C@H]2CCCc3sccc32)nc2ccccc21 ZINC000107914235 261381882 /nfs/dbraw/zinc/38/18/82/261381882.db2.gz NEUBZWQBBBIHKM-ZDUSSCGKSA-N 0 1 297.427 3.802 20 0 CHADMN CCc1noc(CC)c1CN[C@H]1CCc2ccc(C)cc21 ZINC000166981303 261396140 /nfs/dbraw/zinc/39/61/40/261396140.db2.gz RJHXONJQBAJBEP-KRWDZBQOSA-N 0 1 284.403 3.885 20 0 CHADMN C(c1nc(C2CCCC2)no1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000178578324 261398382 /nfs/dbraw/zinc/39/83/82/261398382.db2.gz PVTBHBUCMSUQNV-HIFRSBDPSA-N 0 1 289.423 3.882 20 0 CHADMN COCc1ccc(CNC2(c3ccccc3F)CC2)cc1 ZINC000174409987 261570136 /nfs/dbraw/zinc/57/01/36/261570136.db2.gz UPYKFDWFRVIFLP-UHFFFAOYSA-N 0 1 285.362 3.751 20 0 CHADMN Cc1sc(CNC/C=C/c2ccncc2)nc1C(C)C ZINC000487304674 261689194 /nfs/dbraw/zinc/68/91/94/261689194.db2.gz DPXCPRNTJOHRJE-SNAWJCMRSA-N 0 1 287.432 3.773 20 0 CHADMN Clc1cccc2c1OCCC[C@H]2NCc1ccoc1 ZINC000178474919 261744621 /nfs/dbraw/zinc/74/46/21/261744621.db2.gz PVAUNGANAOGKEI-CQSZACIVSA-N 0 1 277.751 3.937 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccncc1 ZINC000179386388 261783185 /nfs/dbraw/zinc/78/31/85/261783185.db2.gz LQVFRRNSFMBLCD-JLSDUUJJSA-N 0 1 282.387 3.653 20 0 CHADMN CCSc1cccc(CN[C@H](C)c2cn(C)nc2C)c1 ZINC000185516671 262057803 /nfs/dbraw/zinc/05/78/03/262057803.db2.gz BVEILISQJRHXOR-GFCCVEGCSA-N 0 1 289.448 3.691 20 0 CHADMN Cc1cnc(CN[C@H](C)C2(c3ccccc3)CCCC2)o1 ZINC000185959453 262073206 /nfs/dbraw/zinc/07/32/06/262073206.db2.gz VFYHWWNCMCFOIQ-OAHLLOKOSA-N 0 1 284.403 3.973 20 0 CHADMN CC[C@H](c1ccccc1)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000186027621 262076630 /nfs/dbraw/zinc/07/66/30/262076630.db2.gz NBTFLIANZNPAMY-CQSZACIVSA-N 0 1 299.336 3.981 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](CCO)c1ccco1)CCC2 ZINC000186527560 262096884 /nfs/dbraw/zinc/09/68/84/262096884.db2.gz DACVLBRGFVDQSX-IRXDYDNUSA-N 0 1 285.387 3.679 20 0 CHADMN CC[C@@H](CN(CC)[C@@H](C)c1nnc(C)o1)c1ccccc1 ZINC000186623840 262102555 /nfs/dbraw/zinc/10/25/55/262102555.db2.gz VYCKSBSAIRISQO-ZFWWWQNUSA-N 0 1 287.407 3.955 20 0 CHADMN COc1ccc2ccccc2c1CN1CCO[C@H](C(C)C)C1 ZINC000497258945 262126672 /nfs/dbraw/zinc/12/66/72/262126672.db2.gz CDRWZYWMUFBSRT-IBGZPJMESA-N 0 1 299.414 3.705 20 0 CHADMN C[C@H](CNC1c2ccccc2-c2ccccc21)[N@H+](C)C1CC1 ZINC000319019379 262152791 /nfs/dbraw/zinc/15/27/91/262152791.db2.gz VYEGAXVOQVWAHM-CQSZACIVSA-N 0 1 292.426 3.829 20 0 CHADMN CCC(C)(C)NC(=O)C[N@@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000497424349 262159521 /nfs/dbraw/zinc/15/95/21/262159521.db2.gz BXNULJMVDZKZLE-QGZVFWFLSA-N 0 1 290.451 3.620 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2nc(C3CCCC3)no2)[C@H](C)C1 ZINC000119410147 262161921 /nfs/dbraw/zinc/16/19/21/262161921.db2.gz KWUYXIRVUYKNBC-YRGRVCCFSA-N 0 1 277.412 3.642 20 0 CHADMN COc1cccc(CN(C)[C@H](C)c2cc(C)ccc2C)n1 ZINC000497449001 262163465 /nfs/dbraw/zinc/16/34/65/262163465.db2.gz YDLNZRLDLXNFGV-OAHLLOKOSA-N 0 1 284.403 3.900 20 0 CHADMN CCN(Cc1nc(C(C)C)no1)[C@H]1CCCC[C@@H]1C ZINC000189254020 262169734 /nfs/dbraw/zinc/16/97/34/262169734.db2.gz GNZHZYLTKRTDEW-STQMWFEESA-N 0 1 265.401 3.594 20 0 CHADMN C[C@H](NCc1cnc2ccccc2c1)c1ccco1 ZINC000311275219 262221572 /nfs/dbraw/zinc/22/15/72/262221572.db2.gz FGEYPJCFRFBEQW-LBPRGKRZSA-N 0 1 252.317 3.679 20 0 CHADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000498006448 262245521 /nfs/dbraw/zinc/24/55/21/262245521.db2.gz UDDWNAHZDDMZGR-UHFFFAOYSA-N 0 1 299.754 3.588 20 0 CHADMN Cc1ccc(NS(=O)(=O)c2cc(C)ccc2Cl)cc1 ZINC000498007366 262245814 /nfs/dbraw/zinc/24/58/14/262245814.db2.gz APYPFIACRMUAGL-UHFFFAOYSA-N 0 1 295.791 3.758 20 0 CHADMN COc1ccc(-c2nc3cc(C)c(OC)cc3[nH]2)cc1 ZINC000446159567 262288268 /nfs/dbraw/zinc/28/82/68/262288268.db2.gz ZKBGWXWMAFBVOE-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN CC(C)=CCN[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000188453538 262298011 /nfs/dbraw/zinc/29/80/11/262298011.db2.gz GCNXCTZVLWUXAV-LLVKDONJSA-N 0 1 277.799 3.844 20 0 CHADMN CC(C)C1(C)CCN(Cc2nc(-c3ccoc3)no2)CC1 ZINC000186202357 262312135 /nfs/dbraw/zinc/31/21/35/262312135.db2.gz GDJMMOFLCTUYGS-UHFFFAOYSA-N 0 1 289.379 3.588 20 0 CHADMN Cc1ccc(NC(=O)c2c[nH]nc2-c2ccsc2)cc1 ZINC000186932697 262329640 /nfs/dbraw/zinc/32/96/40/262329640.db2.gz BUYXRPVNSXEGQX-UHFFFAOYSA-N 0 1 283.356 3.699 20 0 CHADMN Cc1cc(CNCc2ccc(F)cc2C(F)(F)F)ccn1 ZINC000391137621 262383093 /nfs/dbraw/zinc/38/30/93/262383093.db2.gz AUEKNPQGONVTPO-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN FC(F)(F)Oc1ccccc1CNCc1ccsc1 ZINC000059514613 262390554 /nfs/dbraw/zinc/39/05/54/262390554.db2.gz TVJIEPDFVLOBOG-UHFFFAOYSA-N 0 1 287.306 3.937 20 0 CHADMN CCc1ccccc1COc1ccccc1-c1nnc[nH]1 ZINC000187179719 262390757 /nfs/dbraw/zinc/39/07/57/262390757.db2.gz AMMJKLVWHWBIDV-UHFFFAOYSA-N 0 1 279.343 3.613 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H]2C[C@H]2c2cccc(F)c2)s1 ZINC000411544278 262698370 /nfs/dbraw/zinc/69/83/70/262698370.db2.gz UDPWEGSRWMBAAA-SWHYSGLUSA-N 0 1 276.380 3.797 20 0 CHADMN Cc1nc([C@@H](C)SCc2cccc(OC(F)F)c2)n[nH]1 ZINC000412995137 262750967 /nfs/dbraw/zinc/75/09/67/262750967.db2.gz BZEBRBBDXFMJFY-MRVPVSSYSA-N 0 1 299.346 3.709 20 0 CHADMN C[C@H](N[C@H]1CC(C)(C)c2ccccc21)c1cc2n(n1)CCC2 ZINC000414103723 262805525 /nfs/dbraw/zinc/80/55/25/262805525.db2.gz YJBGQZMHUUAQDR-UGSOOPFHSA-N 0 1 295.430 3.903 20 0 CHADMN CC1(C)CCC(NCc2nccc(C(F)(F)F)n2)CC1 ZINC000414236263 262821334 /nfs/dbraw/zinc/82/13/34/262821334.db2.gz HZHGBYCEPIOMPX-UHFFFAOYSA-N 0 1 287.329 3.554 20 0 CHADMN COc1ccccc1C(C)(C)NCc1ccoc1C ZINC000414328702 262844914 /nfs/dbraw/zinc/84/49/14/262844914.db2.gz PUDZRGZQXVOQKA-UHFFFAOYSA-N 0 1 259.349 3.622 20 0 CHADMN CC[C@H](N[C@@H](CO)c1ccc(F)cc1)c1ccccc1F ZINC000272532972 263005828 /nfs/dbraw/zinc/00/58/28/263005828.db2.gz ZUOYLMUDEUWMEE-IRXDYDNUSA-N 0 1 291.341 3.739 20 0 CHADMN CC[C@H](CC(F)(F)F)c1nc([C@@H](N)CC(C)C)no1 ZINC000414610860 263009610 /nfs/dbraw/zinc/00/96/10/263009610.db2.gz BMSJKCKMNCAOIP-BDAKNGLRSA-N 0 1 279.306 3.562 20 0 CHADMN Cc1ccc2[nH]c(-c3nc([C@H](N)CC(C)C)no3)cc2c1C ZINC000414617287 263010807 /nfs/dbraw/zinc/01/08/07/263010807.db2.gz LBNATPSPEQSEEU-CYBMUJFWSA-N 0 1 298.390 3.881 20 0 CHADMN Cc1c2cc(C)ccc2[nH]c1-c1nc([C@H](N)CC(C)C)no1 ZINC000414619576 263012738 /nfs/dbraw/zinc/01/27/38/263012738.db2.gz OHHKNPWIMFWQJL-CYBMUJFWSA-N 0 1 298.390 3.881 20 0 CHADMN Cc1ccsc1[C@@H]1C[C@H]1c1nc([C@H](N)CC(C)C)no1 ZINC000414619206 263012878 /nfs/dbraw/zinc/01/28/78/263012878.db2.gz NQMHOQJFFUXHBI-IJLUTSLNSA-N 0 1 291.420 3.757 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C2CCC(C)(C)CC2)n1 ZINC000414624934 263015108 /nfs/dbraw/zinc/01/51/08/263015108.db2.gz WKCIJOSDGGWSTP-GFCCVEGCSA-N 0 1 265.401 3.799 20 0 CHADMN CCn1c(-c2nc([C@H](N)CC(C)C)no2)cc2ccccc21 ZINC000414623778 263015146 /nfs/dbraw/zinc/01/51/46/263015146.db2.gz USLGMWXBECKGHC-CYBMUJFWSA-N 0 1 298.390 3.757 20 0 CHADMN Cc1ccnc2ccc(-c3nc([C@@H](N)CC(C)C)no3)cc12 ZINC000414623855 263015529 /nfs/dbraw/zinc/01/55/29/263015529.db2.gz UUSAILDTOVWQDA-AWEZNQCLSA-N 0 1 296.374 3.639 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000430278824 263024642 /nfs/dbraw/zinc/02/46/42/263024642.db2.gz JXIVEJHGJMKSKI-GFCCVEGCSA-N 0 1 286.350 3.879 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N2CC(C)=C[C@H](C)C2)c(C)c1 ZINC000430283658 263030857 /nfs/dbraw/zinc/03/08/57/263030857.db2.gz IMSHHAAKBXWPAL-XJKSGUPXSA-N 0 1 286.419 3.528 20 0 CHADMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@@H](C)CC1CCCCC1 ZINC000414678647 263031216 /nfs/dbraw/zinc/03/12/16/263031216.db2.gz JMXQVUPZOAYHOO-UONOGXRCSA-N 0 1 269.429 3.778 20 0 CHADMN CCc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3C(=O)[O-])o2)cc1 ZINC000414688901 263032237 /nfs/dbraw/zinc/03/22/37/263032237.db2.gz YXHIWGFXDJCEID-MRXNPFEDSA-N 0 1 299.370 3.558 20 0 CHADMN CC[C@H](CN[C@H](C)c1cc(C)on1)Oc1cccc(F)c1 ZINC000284055411 263085574 /nfs/dbraw/zinc/08/55/74/263085574.db2.gz KMLVPESKSRJDEL-TZMCWYRMSA-N 0 1 292.354 3.630 20 0 CHADMN CSCc1ccc(CN[C@H](C)c2ccc(F)cn2)cc1 ZINC000285497140 263093481 /nfs/dbraw/zinc/09/34/81/263093481.db2.gz AALWQDZULBMLPS-GFCCVEGCSA-N 0 1 290.407 3.935 20 0 CHADMN CCCOc1ccc(NCc2[nH]ncc2C)cc1Cl ZINC000289754287 263111833 /nfs/dbraw/zinc/11/18/33/263111833.db2.gz FOEIPULCIJRZPK-UHFFFAOYSA-N 0 1 279.771 3.772 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1Cc1nc(Cc2ccccc2C)no1 ZINC000430505366 263125245 /nfs/dbraw/zinc/12/52/45/263125245.db2.gz QBKVPEDTVOGEFZ-CJNGLKHVSA-N 0 1 299.418 3.589 20 0 CHADMN COc1ccc(CNCc2cc(C)cc(N)c2)c(Cl)c1 ZINC000414966616 263169831 /nfs/dbraw/zinc/16/98/31/263169831.db2.gz OTFAYPANTJLXSY-UHFFFAOYSA-N 0 1 290.794 3.529 20 0 CHADMN CC1=CCC[C@@H](C)[C@H]1CNCc1ncc(C(F)(F)F)cn1 ZINC000295069498 263171689 /nfs/dbraw/zinc/17/16/89/263171689.db2.gz QVKSUQFKMKOCED-YPMHNXCESA-N 0 1 299.340 3.577 20 0 CHADMN Cc1cccc(OCCCN[C@@H]2C[C@@H](C)n3ccnc32)c1C ZINC000296579649 263193320 /nfs/dbraw/zinc/19/33/20/263193320.db2.gz VVSDFKKIZAWPRI-GDBMZVCRSA-N 0 1 299.418 3.564 20 0 CHADMN CC(=O)c1cccc(CN(C)CCOCc2ccccc2)c1 ZINC000296719024 263195713 /nfs/dbraw/zinc/19/57/13/263195713.db2.gz HFVXRKNMQTZGTJ-UHFFFAOYSA-N 0 1 297.398 3.538 20 0 CHADMN CCc1ncc(CN[C@H](c2ccccc2)C(C)C)o1 ZINC000453395838 263261859 /nfs/dbraw/zinc/26/18/59/263261859.db2.gz ULLQCLTVMSOUSZ-INIZCTEOSA-N 0 1 258.365 3.724 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](C)c2nccnc2C)cc1 ZINC000187683643 263264922 /nfs/dbraw/zinc/26/49/22/263264922.db2.gz WCRKOFCXGBHDSM-GXTWGEPZSA-N 0 1 269.392 3.759 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000187785109 263270646 /nfs/dbraw/zinc/27/06/46/263270646.db2.gz NHGWAQSQLCOCOY-ZFWWWQNUSA-N 0 1 299.418 3.984 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@@H]2CCC(C)(C)O2)cs1 ZINC000187853297 263274524 /nfs/dbraw/zinc/27/45/24/263274524.db2.gz PAQSGSHJUFRWML-RYUDHWBXSA-N 0 1 282.453 3.875 20 0 CHADMN C[C@H](CC(=O)NC[C@H](c1ccsc1)N(C)C)C(C)(C)C ZINC000342774643 263495244 /nfs/dbraw/zinc/49/52/44/263495244.db2.gz DTIMGFAAWMCXLD-TZMCWYRMSA-N 0 1 296.480 3.539 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc3c(c2)CCCC3)nc(C)n1 ZINC000342809811 263522966 /nfs/dbraw/zinc/52/29/66/263522966.db2.gz MCDGSYBSAWXZAJ-AWEZNQCLSA-N 0 1 295.430 3.823 20 0 CHADMN CN(C(=O)c1cccc2c[nH]nc21)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416285089 263687004 /nfs/dbraw/zinc/68/70/04/263687004.db2.gz BMVYFWNKQADLOF-LSDHHAIUSA-N 0 1 299.418 3.850 20 0 CHADMN COCC1(C)CCN(Cc2c(F)cc(C)cc2F)CC1 ZINC000425349690 264024281 /nfs/dbraw/zinc/02/42/81/264024281.db2.gz LBXLLFNTNKOVQQ-UHFFFAOYSA-N 0 1 283.362 3.522 20 0 CHADMN CC(C)c1cnc(CN2CC[C@@H](C)C[C@H]2C)s1 ZINC000425357780 264069491 /nfs/dbraw/zinc/06/94/91/264069491.db2.gz PIDDRHKSBVDHFK-VXGBXAGGSA-N 0 1 252.427 3.887 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1scnc1C(C)C ZINC000456433721 264119280 /nfs/dbraw/zinc/11/92/80/264119280.db2.gz GIHLOZBHIZNVRV-UHFFFAOYSA-N 0 1 292.408 3.674 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H]2CCC[C@H](C)C2)c1 ZINC000331241208 264177029 /nfs/dbraw/zinc/17/70/29/264177029.db2.gz QCZTXABAHNAELG-WCQYABFASA-N 0 1 289.375 3.750 20 0 CHADMN C[C@](NC[C@H]1CCCCC1(F)F)(C(N)=O)c1ccccc1 ZINC000331340949 264195573 /nfs/dbraw/zinc/19/55/73/264195573.db2.gz SJGWZTSRWGWZBU-UKRRQHHQSA-N 0 1 296.361 3.852 20 0 CHADMN CCO[C@H]1CCN(Cc2c(F)cc(C)cc2F)C[C@H]1C ZINC000425375129 264204129 /nfs/dbraw/zinc/20/41/29/264204129.db2.gz YQGSOSSFXIYOBM-WBMJQRKESA-N 0 1 283.362 3.520 20 0 CHADMN Cc1ccc2[nH]c(CN3CC(CC(F)F)C3)cc2c1C ZINC000425365787 264211276 /nfs/dbraw/zinc/21/12/76/264211276.db2.gz MSUAEKHXHBFRET-UHFFFAOYSA-N 0 1 278.346 3.872 20 0 CHADMN CCN(CCc1ccc(C(F)(F)F)cc1)Cc1cocn1 ZINC000425366983 264212614 /nfs/dbraw/zinc/21/26/14/264212614.db2.gz RDFSWEGKUORNKC-UHFFFAOYSA-N 0 1 298.308 3.758 20 0 CHADMN CC(C)n1cncc1CN1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000425368871 264213119 /nfs/dbraw/zinc/21/31/19/264213119.db2.gz KVLBZXXIFGRLGP-NWDGAFQWSA-N 0 1 289.345 3.627 20 0 CHADMN Cc1cc(F)c(CN2CCC3(CCOCC3)CC2)c(F)c1 ZINC000425382490 264218697 /nfs/dbraw/zinc/21/86/97/264218697.db2.gz OGQNZEZVVBFHSZ-UHFFFAOYSA-N 0 1 295.373 3.666 20 0 CHADMN C[C@H]1CCCC[C@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000424856272 264232761 /nfs/dbraw/zinc/23/27/61/264232761.db2.gz USHFUKRHFIJTGB-DTWKUNHWSA-N 0 1 285.746 3.950 20 0 CHADMN CC(C)C(C)(C)CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000188707307 264241723 /nfs/dbraw/zinc/24/17/23/264241723.db2.gz SANAJNCAZUTRBX-OAHLLOKOSA-N 0 1 289.398 3.910 20 0 CHADMN CCn1c2ccccc2nc1[C@H](C)NCc1ccccc1 ZINC000127055227 264246981 /nfs/dbraw/zinc/24/69/81/264246981.db2.gz LPYVWCJUAXMOAN-AWEZNQCLSA-N 0 1 279.387 3.907 20 0 CHADMN CC(C)(C)[C@H]1CCC[C@@H](NCc2csnn2)CC1 ZINC000188791344 264249847 /nfs/dbraw/zinc/24/98/47/264249847.db2.gz NEXFQXBOUOWNKO-NWDGAFQWSA-N 0 1 267.442 3.623 20 0 CHADMN CC(C)(CC1CCCCCC1)NCc1csnn1 ZINC000188909218 264253212 /nfs/dbraw/zinc/25/32/12/264253212.db2.gz DNKPLRKLFMXGOD-UHFFFAOYSA-N 0 1 267.442 3.767 20 0 CHADMN CCOCCC1(CNc2ccnc3cc(F)ccc32)CC1 ZINC000127755190 264259849 /nfs/dbraw/zinc/25/98/49/264259849.db2.gz GOTXTEVIEFXXCH-UHFFFAOYSA-N 0 1 288.366 3.993 20 0 CHADMN CC(C)c1ccc([C@@H](C)[N@@H+](C)C[C@H](C)C(=O)[O-])cc1 ZINC000250584180 264260987 /nfs/dbraw/zinc/26/09/87/264260987.db2.gz YIQCYLAGMFDZKN-QWHCGFSZSA-N 0 1 263.381 3.524 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC([C@H]2CCCO2)CC1 ZINC000189191407 264277789 /nfs/dbraw/zinc/27/77/89/264277789.db2.gz UFINZFJQGRMNPY-SJKOYZFVSA-N 0 1 295.373 3.917 20 0 CHADMN C[C@@H](NCC1=CCCOC1)c1cc(Cl)ccc1Cl ZINC000189273848 264286642 /nfs/dbraw/zinc/28/66/42/264286642.db2.gz NPRIZPUPUJHWDJ-SNVBAGLBSA-N 0 1 286.202 3.991 20 0 CHADMN Cc1cc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)co1 ZINC000189266405 264289521 /nfs/dbraw/zinc/28/95/21/264289521.db2.gz ZITDCIGDMVQJFN-UHFFFAOYSA-N 0 1 295.342 3.984 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000189443905 264297761 /nfs/dbraw/zinc/29/77/61/264297761.db2.gz RXSGJYAUNFHJPB-YPMHNXCESA-N 0 1 277.412 3.540 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccncc2OC)cc1 ZINC000189573233 264305904 /nfs/dbraw/zinc/30/59/04/264305904.db2.gz HADUPANAEKSGSF-ZDUSSCGKSA-N 0 1 270.376 3.503 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1cccc(Cl)c1 ZINC000189557752 264307024 /nfs/dbraw/zinc/30/70/24/264307024.db2.gz HQEMKWVJAQBADI-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN Cc1nc2ccc(CN(C)Cc3ccco3)cc2s1 ZINC000426014971 264309431 /nfs/dbraw/zinc/30/94/31/264309431.db2.gz FRYAZUGZNUJBMM-UHFFFAOYSA-N 0 1 272.373 3.830 20 0 CHADMN CC(C)N(Cc1nc(C(F)F)no1)C1CCCCC1 ZINC000425429394 264310446 /nfs/dbraw/zinc/31/04/46/264310446.db2.gz YYCUMGHBTOTSDE-UHFFFAOYSA-N 0 1 273.327 3.550 20 0 CHADMN C[C@H](c1ccccc1)N(Cc1ncccn1)C1CCCC1 ZINC000425439892 264320583 /nfs/dbraw/zinc/32/05/83/264320583.db2.gz AWLNMZLAWGQUNZ-OAHLLOKOSA-N 0 1 281.403 3.982 20 0 CHADMN CN(Cc1nc(C(F)F)no1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000425478450 264348405 /nfs/dbraw/zinc/34/84/05/264348405.db2.gz PDQHKDYAWCXCEQ-UWVGGRQHSA-N 0 1 287.354 3.654 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CC3(C)C)n[nH]2)c(C)c1 ZINC000428096061 264365993 /nfs/dbraw/zinc/36/59/93/264365993.db2.gz ZPSVNZXJRNZLQQ-INIZCTEOSA-N 0 1 297.402 3.564 20 0 CHADMN OCCN(Cc1cnc(C2CCCCC2)s1)C1CCC1 ZINC000525889109 265040995 /nfs/dbraw/zinc/04/09/95/265040995.db2.gz QWKYJKSQONHXHZ-UHFFFAOYSA-N 0 1 294.464 3.538 20 0 CHADMN CCOc1cccc(CNCc2csc3ccccc23)n1 ZINC000343580440 265046080 /nfs/dbraw/zinc/04/60/80/265046080.db2.gz JEWOADIKPDQPSH-UHFFFAOYSA-N 0 1 298.411 3.985 20 0 CHADMN C[C@@H](NC1(c2ccc(F)cc2)CC1)c1cccnc1 ZINC000346794837 265117726 /nfs/dbraw/zinc/11/77/26/265117726.db2.gz LPZGQHOWAUMJMQ-GFCCVEGCSA-N 0 1 256.324 3.561 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(C)c(C)n2)s1 ZINC000314699520 265178132 /nfs/dbraw/zinc/17/81/32/265178132.db2.gz CBWZPZJGXOBGDU-CYBMUJFWSA-N 0 1 260.406 3.919 20 0 CHADMN CCN1C(=O)N=NC1S[C@H](C)c1c(C)cc(C)cc1C ZINC000518842571 265180191 /nfs/dbraw/zinc/18/01/91/265180191.db2.gz NVHNRHVKAMUENH-GFCCVEGCSA-N 0 1 291.420 3.782 20 0 CHADMN CCC1CCN([C@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000518852159 265184335 /nfs/dbraw/zinc/18/43/35/265184335.db2.gz WDMYEHOFWWXSLM-CYBMUJFWSA-N 0 1 292.398 3.583 20 0 CHADMN CC1(C)CCCC[C@H]1NC(=O)c1ccc(O)c(Cl)c1 ZINC000094330230 265235478 /nfs/dbraw/zinc/23/54/78/265235478.db2.gz NMAIMQCNKPYBHG-CYBMUJFWSA-N 0 1 281.783 3.744 20 0 CHADMN CC(C)n1ccnc1CN1CCC2(CCCC2)CC1 ZINC000518992928 265285367 /nfs/dbraw/zinc/28/53/67/265285367.db2.gz KGVRNHKVFCQWOS-UHFFFAOYSA-N 0 1 261.413 3.620 20 0 CHADMN CC[C@@H](CC(=O)Nc1ccc2nc[nH]c2c1)C(C)C ZINC000519097491 265319772 /nfs/dbraw/zinc/31/97/72/265319772.db2.gz OYTSZPOEKXUEQF-NSHDSACASA-N 0 1 259.353 3.574 20 0 CHADMN CCc1ccc(CN(C)[C@H](CC)c2ccncc2)cn1 ZINC000519232517 265371810 /nfs/dbraw/zinc/37/18/10/265371810.db2.gz TVSIYJYAVSNCEW-QGZVFWFLSA-N 0 1 269.392 3.622 20 0 CHADMN CCc1ccc(CN(Cc2cc(OC)ccn2)C2CC2)cc1 ZINC000519345812 265399302 /nfs/dbraw/zinc/39/93/02/265399302.db2.gz WECARZIAJHJMFH-UHFFFAOYSA-N 0 1 296.414 3.817 20 0 CHADMN CC(C)CC1(CNC(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000392104390 266022732 /nfs/dbraw/zinc/02/27/32/266022732.db2.gz KMJLPZAOVQDOAT-UHFFFAOYSA-N 0 1 281.783 3.602 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1cn(-c2ccccc2C)nn1 ZINC000514638841 266022760 /nfs/dbraw/zinc/02/27/60/266022760.db2.gz JBCDHHZLZLETNT-OAHLLOKOSA-N 0 1 286.423 3.586 20 0 CHADMN CCn1c2ccccc2nc1C[N@@H+](C)C1(C)CCCC1 ZINC000514656576 266032307 /nfs/dbraw/zinc/03/23/07/266032307.db2.gz WEXXHYYWKBVNIL-UHFFFAOYSA-N 0 1 271.408 3.821 20 0 CHADMN CCc1nocc1CN1CCC=C(c2ccccc2)C1 ZINC000353383711 266038504 /nfs/dbraw/zinc/03/85/04/266038504.db2.gz CEWISWNRSNODLZ-UHFFFAOYSA-N 0 1 268.360 3.526 20 0 CHADMN Cc1c[nH]nc1CN1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000356312949 266094212 /nfs/dbraw/zinc/09/42/12/266094212.db2.gz CUGBUIPAJOVFRL-SUMWQHHRSA-N 0 1 269.392 3.691 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1ccc(F)c(F)c1 ZINC000356318118 266095085 /nfs/dbraw/zinc/09/50/85/266095085.db2.gz XLFNELSPWVTURF-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN C[C@H]1CSCCN(Cc2cscc2C(F)(F)F)C1 ZINC000356393121 266106800 /nfs/dbraw/zinc/10/68/00/266106800.db2.gz LDRSTZVOUSRDLB-SECBINFHSA-N 0 1 295.395 3.952 20 0 CHADMN C[C@H](NCc1cnc2ccccc2c1)c1ccc(F)cn1 ZINC000356666778 266157010 /nfs/dbraw/zinc/15/70/10/266157010.db2.gz BARYOGDWYPCYLH-LBPRGKRZSA-N 0 1 281.334 3.620 20 0 CHADMN COCC[C@@H](N[C@@H]1CCc2c1cccc2C)c1ccco1 ZINC000356839475 266186067 /nfs/dbraw/zinc/18/60/67/266186067.db2.gz IUSRCMCFLZXZRD-IAGOWNOFSA-N 0 1 285.387 3.943 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccc(OC(C)C)nc1 ZINC000356863413 266197024 /nfs/dbraw/zinc/19/70/24/266197024.db2.gz KJWGYBXVDZDRDS-AWEZNQCLSA-N 0 1 299.418 3.677 20 0 CHADMN C[C@H](C1CCC1)N(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000356872183 266200572 /nfs/dbraw/zinc/20/05/72/266200572.db2.gz VHNMOZUJIWBYDX-GFCCVEGCSA-N 0 1 289.423 3.718 20 0 CHADMN CC[C@@]1(C)C[C@@H]1c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000356922412 266211378 /nfs/dbraw/zinc/21/13/78/266211378.db2.gz NFAZNOXBURVPAP-BZNIZROVSA-N 0 1 282.347 3.825 20 0 CHADMN Cc1cnc([C@H](C)N(C)CCCc2ccccc2)o1 ZINC000356956036 266218696 /nfs/dbraw/zinc/21/86/96/266218696.db2.gz IOQPENKBTNBMET-AWEZNQCLSA-N 0 1 258.365 3.609 20 0 CHADMN Cc1cccc(C2=CCN(Cc3ccco3)CC2)c1 ZINC000356965464 266220477 /nfs/dbraw/zinc/22/04/77/266220477.db2.gz ZMPXZOHXVDAXSL-UHFFFAOYSA-N 0 1 253.345 3.877 20 0 CHADMN Cc1scc(-c2nc(-c3ccc4[nH]cnc4c3)no2)c1C ZINC000356960464 266220502 /nfs/dbraw/zinc/22/05/02/266220502.db2.gz JNEOBSYDRTXTIS-UHFFFAOYSA-N 0 1 296.355 3.958 20 0 CHADMN C[C@@H](c1cccs1)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000356986781 266225754 /nfs/dbraw/zinc/22/57/54/266225754.db2.gz PYBGOUDXKXXASM-VIFPVBQESA-N 0 1 296.355 3.826 20 0 CHADMN Cc1cnc([C@H](C)N2CCC[C@@H]2c2cccc(N(C)C)c2)o1 ZINC000356988508 266225846 /nfs/dbraw/zinc/22/58/46/266225846.db2.gz QZMMFWKEBZATFX-WMLDXEAASA-N 0 1 299.418 3.947 20 0 CHADMN CCO[C@H](C)c1nc(CN(C)[C@H](C)C2CCC2)cs1 ZINC000357046001 266238472 /nfs/dbraw/zinc/23/84/72/266238472.db2.gz XJOCUOOVFLVTHC-VXGBXAGGSA-N 0 1 282.453 3.861 20 0 CHADMN Cc1cnc(C[N@H+]2CC[C@](C)(c3ccccc3)C2)s1 ZINC000357323109 266274481 /nfs/dbraw/zinc/27/44/81/266274481.db2.gz WLSAREAOZIMRAP-INIZCTEOSA-N 0 1 272.417 3.615 20 0 CHADMN Cc1cnc(CN2CC[C@](C)(c3ccccc3)C2)s1 ZINC000357323109 266274484 /nfs/dbraw/zinc/27/44/84/266274484.db2.gz WLSAREAOZIMRAP-INIZCTEOSA-N 0 1 272.417 3.615 20 0 CHADMN CCc1nc(CN(C)[C@@H]2CCc3ccccc3C2)cs1 ZINC000114488952 266301573 /nfs/dbraw/zinc/30/15/73/266301573.db2.gz CVFUZWVFASWVFC-MRXNPFEDSA-N 0 1 286.444 3.695 20 0 CHADMN CSCC[C@H](C)N(C)Cc1ccn(C2CCCC2)n1 ZINC000357702464 266348463 /nfs/dbraw/zinc/34/84/63/266348463.db2.gz DQJJXFVTXIKTNA-ZDUSSCGKSA-N 0 1 281.469 3.572 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000357776559 266359234 /nfs/dbraw/zinc/35/92/34/266359234.db2.gz DKLXREFEVIEJAS-ZYSHUDEJSA-N 0 1 296.414 3.961 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccc(C3CC3)cc1)CO2 ZINC000357781463 266359736 /nfs/dbraw/zinc/35/97/36/266359736.db2.gz AHSOAPVUZVQBJH-QGZVFWFLSA-N 0 1 283.346 3.926 20 0 CHADMN CC[C@H](N[C@H](CO)c1cccc(F)c1)c1ccc(F)cc1 ZINC000358176275 266434466 /nfs/dbraw/zinc/43/44/66/266434466.db2.gz NLGIYXMDUSCYHP-DLBZAZTESA-N 0 1 291.341 3.739 20 0 CHADMN CO[C@H](CN[C@@H](C)c1csc(C)n1)c1ccc(F)cc1 ZINC000358187582 266436276 /nfs/dbraw/zinc/43/62/76/266436276.db2.gz KDYNACLKLAIURS-ZUZCIYMTSA-N 0 1 294.395 3.629 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cccc(F)c1F ZINC000358502478 266470354 /nfs/dbraw/zinc/47/03/54/266470354.db2.gz BXZIFTUMDMFULW-NSHDSACASA-N 0 1 276.330 3.773 20 0 CHADMN Fc1cccc(C2CCN(Cc3cncs3)CC2)c1 ZINC000362653219 267030244 /nfs/dbraw/zinc/03/02/44/267030244.db2.gz IEWYADIMAQJDBD-UHFFFAOYSA-N 0 1 276.380 3.662 20 0 CHADMN COc1ncccc1CN(C)Cc1cccc2ccccc21 ZINC000362938902 267064508 /nfs/dbraw/zinc/06/45/08/267064508.db2.gz TVYHMZRXEOWNOU-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN Clc1ccc(CN2CCC3(CCC3)CC2)nc1 ZINC000367518596 267096205 /nfs/dbraw/zinc/09/62/05/267096205.db2.gz JHXIVODPPWUVBD-UHFFFAOYSA-N 0 1 250.773 3.501 20 0 CHADMN Cc1nc(CN2CCC(C3CC3)CC2)nc2ccccc12 ZINC000367838597 267121113 /nfs/dbraw/zinc/12/11/13/267121113.db2.gz YUSMVRJSFNAFCU-UHFFFAOYSA-N 0 1 281.403 3.560 20 0 CHADMN CC(C)n1ncc2c1[C@H](N[C@H](C)c1cccnc1)CCC2 ZINC000368133880 267147920 /nfs/dbraw/zinc/14/79/20/267147920.db2.gz HVQCKSGUKSRART-CZUORRHYSA-N 0 1 284.407 3.587 20 0 CHADMN C[C@H](CSC(C)(C)C)NCc1noc2c1CCCC2 ZINC000368593079 267189694 /nfs/dbraw/zinc/18/96/94/267189694.db2.gz NJQLAWZPXFSNPW-LLVKDONJSA-N 0 1 282.453 3.563 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N2C[C@H]3CCCC[C@H]32)c(C)c1 ZINC000368682846 267197529 /nfs/dbraw/zinc/19/75/29/267197529.db2.gz LXTJYOSQHJHBDD-BFYDXBDKSA-N 0 1 286.419 3.505 20 0 CHADMN COC(=O)c1coc(CN[C@@H](C)c2ccc(C3CC3)cc2)c1 ZINC000418117023 267203802 /nfs/dbraw/zinc/20/38/02/267203802.db2.gz SEUGRGSCYBCCLI-LBPRGKRZSA-N 0 1 299.370 3.794 20 0 CHADMN CCc1ncc(CN[C@H](C)c2ccc(C3CC3)cc2)cn1 ZINC000418118937 267261418 /nfs/dbraw/zinc/26/14/18/267261418.db2.gz WRLIZECBRNWSIY-CYBMUJFWSA-N 0 1 281.403 3.767 20 0 CHADMN FC(F)Oc1ccccc1CNCc1cccs1 ZINC000020131577 267273309 /nfs/dbraw/zinc/27/33/09/267273309.db2.gz HBKWYEBVDKEABA-UHFFFAOYSA-N 0 1 269.316 3.639 20 0 CHADMN CCCN(Cc1nc([C@@H](C)SCC)no1)CC1CC1 ZINC000118969802 267283011 /nfs/dbraw/zinc/28/30/11/267283011.db2.gz GNMBBAKYLNBWPD-LLVKDONJSA-N 0 1 283.441 3.506 20 0 CHADMN CC(C)(O)[C@@H]1CCCN1Cc1csc(C2CCCC2)n1 ZINC000119047669 267294309 /nfs/dbraw/zinc/29/43/09/267294309.db2.gz MSGRZNVECYLFKJ-AWEZNQCLSA-N 0 1 294.464 3.536 20 0 CHADMN COC(=O)c1cccc(CN([C@H](C)c2ccco2)C2CC2)c1 ZINC000119168336 267305030 /nfs/dbraw/zinc/30/50/30/267305030.db2.gz BNJKNDQYDDJARB-CYBMUJFWSA-N 0 1 299.370 3.792 20 0 CHADMN CC(C)OCCN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000370514812 267326235 /nfs/dbraw/zinc/32/62/35/267326235.db2.gz PATJDOHWWJZUKU-OAHLLOKOSA-N 0 1 288.391 3.780 20 0 CHADMN CO[C@H](CN1CCC[C@@H]1c1cc(C)on1)c1ccccc1 ZINC000371183724 267360948 /nfs/dbraw/zinc/36/09/48/267360948.db2.gz KGMZGTWHSYYFAJ-IAGOWNOFSA-N 0 1 286.375 3.508 20 0 CHADMN Cc1ccc(CN[C@@H](c2cnn(C)c2)c2ccccc2)cc1 ZINC000374650769 267806509 /nfs/dbraw/zinc/80/65/09/267806509.db2.gz YJMQQECEWZRVCF-LJQANCHMSA-N 0 1 291.398 3.608 20 0 CHADMN CC(C)c1nc(CN2CC[C@H](C)[C@@H](C)C2)cs1 ZINC000122879387 267941136 /nfs/dbraw/zinc/94/11/36/267941136.db2.gz HFTWXRAQMFDVAS-RYUDHWBXSA-N 0 1 252.427 3.744 20 0 CHADMN CC(C)n1ccc(CN(C)CCc2ccc(Cl)cc2)n1 ZINC000172016266 335088801 /nfs/dbraw/zinc/08/88/01/335088801.db2.gz RRFAODKQRIDWHG-UHFFFAOYSA-N 0 1 291.826 3.792 20 0 CHADMN CC[C@H]1CCN1Cc1ccc(CSC(F)F)o1 ZINC000292791745 523172475 /nfs/dbraw/zinc/17/24/75/523172475.db2.gz MNJMRWGTDZNKMY-VIFPVBQESA-N 0 1 261.337 3.720 20 0 CHADMN C[C@@H](N[C@@H]1CCCOC1)c1cc(Cl)sc1Cl ZINC000167411580 327736954 /nfs/dbraw/zinc/73/69/54/327736954.db2.gz ITCFDJNHGXDKCP-HTQZYQBOSA-N 0 1 280.220 3.885 20 0 CHADMN CO[C@@H]1CCC[C@H]1NCc1csc(Cl)c1Cl ZINC000378682831 327751515 /nfs/dbraw/zinc/75/15/15/327751515.db2.gz YHEUJGDOFPBEBZ-RKDXNWHRSA-N 0 1 280.220 3.712 20 0 CHADMN CCCOc1ncccc1CN[C@H](C)c1ccsc1 ZINC000178653773 327795687 /nfs/dbraw/zinc/79/56/87/327795687.db2.gz SXCLCUJCUXWPMF-GFCCVEGCSA-N 0 1 276.405 3.783 20 0 CHADMN CCC(CC)(CN[C@@H](C)c1c(F)cccc1F)C(=O)OC ZINC000582093659 327841268 /nfs/dbraw/zinc/84/12/68/327841268.db2.gz ZBKYHCQAHRLXOR-NSHDSACASA-N 0 1 299.361 3.595 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H](C)c1ccccc1 ZINC000187078058 327943091 /nfs/dbraw/zinc/94/30/91/327943091.db2.gz TWKMMLWBTVBGIK-STQMWFEESA-N 0 1 256.349 3.502 20 0 CHADMN O=C([O-])CCCCC[N@@H+](CC1CCCCC1)C1CC1 ZINC000563276927 328006930 /nfs/dbraw/zinc/00/69/30/328006930.db2.gz HYXDBHFMOZVZFH-UHFFFAOYSA-N 0 1 267.413 3.676 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@H](C)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000563282086 328007471 /nfs/dbraw/zinc/00/74/71/328007471.db2.gz MPCLPMWURMFPPL-YPMHNXCESA-N 0 1 279.380 3.859 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000563282047 328007610 /nfs/dbraw/zinc/00/76/10/328007610.db2.gz DXJXSBJQCLDFSZ-CYBMUJFWSA-N 0 1 281.421 3.847 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCCCCC(=O)[O-])C1 ZINC000563284100 328008460 /nfs/dbraw/zinc/00/84/60/328008460.db2.gz QZERRFYMXBAFBP-JKSUJKDBSA-N 0 1 289.419 3.818 20 0 CHADMN CC[C@H](C)Cc1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000563304524 328011325 /nfs/dbraw/zinc/01/13/25/328011325.db2.gz NFRVLNUMXAAUCQ-NSHDSACASA-N 0 1 291.370 3.526 20 0 CHADMN c1nc(C2CC2)sc1CNC1(c2ccccc2)CC1 ZINC000531629544 328019864 /nfs/dbraw/zinc/01/98/64/328019864.db2.gz PZIVMSLFFCHPJM-UHFFFAOYSA-N 0 1 270.401 3.799 20 0 CHADMN Cc1cc(CN[C@H](CC2CC2)c2ccccc2)on1 ZINC000531703504 328026315 /nfs/dbraw/zinc/02/63/15/328026315.db2.gz HOZJPHLSVJKFNV-MRXNPFEDSA-N 0 1 256.349 3.614 20 0 CHADMN CCCCN(CCOC)Cc1ccc(F)cc1Cl ZINC000064806251 328037646 /nfs/dbraw/zinc/03/76/46/328037646.db2.gz KBLAOVUVWUPPBO-UHFFFAOYSA-N 0 1 273.779 3.728 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(-c3ccco3)on2)C1 ZINC000048058402 328039230 /nfs/dbraw/zinc/03/92/30/328039230.db2.gz BRQOKXMSYIKEMK-GFCCVEGCSA-N 0 1 260.337 3.557 20 0 CHADMN C[C@@H](CN[C@H](C)c1cscn1)c1ccc(F)cc1F ZINC000534328866 328046029 /nfs/dbraw/zinc/04/60/29/328046029.db2.gz NICZPBMXGXDLTE-VHSXEESVSA-N 0 1 282.359 3.876 20 0 CHADMN Fc1ccccc1CN(Cc1ccc2[nH]cnc2c1)C1CC1 ZINC000534331658 328046501 /nfs/dbraw/zinc/04/65/01/328046501.db2.gz FLTWGSZZBQUGJA-UHFFFAOYSA-N 0 1 295.361 3.867 20 0 CHADMN Fc1ccccc1CN(Cc1ccc2nc[nH]c2c1)C1CC1 ZINC000534331658 328046502 /nfs/dbraw/zinc/04/65/02/328046502.db2.gz FLTWGSZZBQUGJA-UHFFFAOYSA-N 0 1 295.361 3.867 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccn(C(C)C)n1)CCC2 ZINC000563494428 328070282 /nfs/dbraw/zinc/07/02/82/328070282.db2.gz GKWMGNHSHMBYSM-SFHVURJKSA-N 0 1 283.419 3.940 20 0 CHADMN Cc1cnccc1CN(C)Cc1cccc(OC(C)C)c1 ZINC000563506440 328070609 /nfs/dbraw/zinc/07/06/09/328070609.db2.gz VGOWUVCDIJUXMP-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)CCOC[C@@H]1CCCO1 ZINC000152174178 328077083 /nfs/dbraw/zinc/07/70/83/328077083.db2.gz JIYJESLLGANYMZ-KBPBESRZSA-N 0 1 297.826 3.528 20 0 CHADMN CC1(C)C[C@H](N[C@H](CO)c2cccc(F)c2)c2ccccc21 ZINC000571112983 328086521 /nfs/dbraw/zinc/08/65/21/328086521.db2.gz VEKMORAGGZWHOG-ZWKOTPCHSA-N 0 1 299.389 3.871 20 0 CHADMN CCCC[C@H](C)N(C)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000571253889 328094806 /nfs/dbraw/zinc/09/48/06/328094806.db2.gz SRYZAGKQAJZTCK-NSHDSACASA-N 0 1 291.420 3.789 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cn3ccccc3n2)s1 ZINC000571245218 328095116 /nfs/dbraw/zinc/09/51/16/328095116.db2.gz ZJDLHDXEJUOMCV-GFCCVEGCSA-N 0 1 271.389 3.555 20 0 CHADMN CCCN(Cc1ccc(C)cc1)Cc1cnc(CC)nc1 ZINC000571264485 328096146 /nfs/dbraw/zinc/09/61/46/328096146.db2.gz BCUWFYQJTXEIIY-UHFFFAOYSA-N 0 1 283.419 3.760 20 0 CHADMN Cc1cnccc1CN(C)Cc1ccccc1N1CCCC1 ZINC000571509618 328129292 /nfs/dbraw/zinc/12/92/92/328129292.db2.gz MAFSODZZEOLBFA-UHFFFAOYSA-N 0 1 295.430 3.622 20 0 CHADMN CC[C@@H](c1ccccc1OC)N(C)Cc1cccnc1C ZINC000571602523 328136664 /nfs/dbraw/zinc/13/66/64/328136664.db2.gz HNJDLAJIEUBZLN-KRWDZBQOSA-N 0 1 284.403 3.982 20 0 CHADMN CCn1cc([C@H](C)N[C@H](C)c2ccc(C)cc2OC)cn1 ZINC000571614352 328137821 /nfs/dbraw/zinc/13/78/21/328137821.db2.gz OGDRBPMYJLWNGZ-UONOGXRCSA-N 0 1 287.407 3.632 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccc(Cl)cn1 ZINC000414301709 328154120 /nfs/dbraw/zinc/15/41/20/328154120.db2.gz BODGKJMAPQLEOS-IRUJWGPZSA-N 0 1 256.752 3.666 20 0 CHADMN C[C@H](N[C@H]1CC[C@@](C)(c2ccccc2)C1)c1csnn1 ZINC000414306807 328154439 /nfs/dbraw/zinc/15/44/39/328154439.db2.gz RFLKHEAFLSKETB-DUVNUKRYSA-N 0 1 287.432 3.699 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2ccc(C)nn2)c(C)c1 ZINC000414368547 328156128 /nfs/dbraw/zinc/15/61/28/328156128.db2.gz HAYZHPCUZMLMTD-OAHLLOKOSA-N 0 1 269.392 3.595 20 0 CHADMN Cc1cccc([C@H](NCc2ccc(C)nn2)C(C)(C)C)c1 ZINC000414368425 328156237 /nfs/dbraw/zinc/15/62/37/328156237.db2.gz SRRYNVJZIGVSKS-KRWDZBQOSA-N 0 1 283.419 3.970 20 0 CHADMN Cc1occc1CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000414382597 328158884 /nfs/dbraw/zinc/15/88/84/328158884.db2.gz PKDNCKFGMOKRDU-OAHLLOKOSA-N 0 1 285.343 3.654 20 0 CHADMN CCc1ncc(CN[C@H](C)c2cccc(C3CC3)c2)cn1 ZINC000414463513 328182275 /nfs/dbraw/zinc/18/22/75/328182275.db2.gz WAWZUOXUOLJHLQ-CYBMUJFWSA-N 0 1 281.403 3.767 20 0 CHADMN CC[C@@H](NCc1cc(C)ncn1)c1ccc(Cl)cc1 ZINC000270136108 328192063 /nfs/dbraw/zinc/19/20/63/328192063.db2.gz PJRLMHJMADICLO-OAHLLOKOSA-N 0 1 275.783 3.679 20 0 CHADMN Brc1ccccc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000414580345 328197640 /nfs/dbraw/zinc/19/76/40/328197640.db2.gz JSLQSLMIAJRJJH-DGCLKSJQSA-N 0 1 292.176 3.688 20 0 CHADMN CC[C@H](NCc1cc(OC)ccn1)c1cccc(Cl)c1 ZINC000273025119 328202875 /nfs/dbraw/zinc/20/28/75/328202875.db2.gz CIZZMZPPMCIHES-INIZCTEOSA-N 0 1 290.794 3.985 20 0 CHADMN CC[C@H]1CC[C@H](c2nc([C@@H](N)CC(C)C)no2)CC1 ZINC000414624367 328205041 /nfs/dbraw/zinc/20/50/41/328205041.db2.gz VGAWSQPFIFZIMP-AVGNSLFASA-N 0 1 265.401 3.799 20 0 CHADMN CSCC(C)(C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000282813136 328243739 /nfs/dbraw/zinc/24/37/39/328243739.db2.gz SSUFFNCSCNTNPN-UHFFFAOYSA-N 0 1 291.775 3.512 20 0 CHADMN Cc1cc(CNCc2cn(C)nc2C(F)F)ccc1Cl ZINC000291033056 328262121 /nfs/dbraw/zinc/26/21/21/328262121.db2.gz JGEMVPKYGPGCSA-UHFFFAOYSA-N 0 1 299.752 3.609 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1Cc1nc(Cc2ccccc2C)no1 ZINC000430505368 328266127 /nfs/dbraw/zinc/26/61/27/328266127.db2.gz QBKVPEDTVOGEFZ-XJKSGUPXSA-N 0 1 299.418 3.589 20 0 CHADMN C[C@H](N[C@H]1CCC[C@@H]1F)c1ccc2ccccc2n1 ZINC000340533828 328289860 /nfs/dbraw/zinc/28/98/60/328289860.db2.gz YEMGGEUKWRHKSI-RBOXIYTFSA-N 0 1 258.340 3.776 20 0 CHADMN Fc1ccc([C@H](NCC(C2CC2)C2CC2)c2ncc[nH]2)cc1 ZINC000525857643 328302246 /nfs/dbraw/zinc/30/22/46/328302246.db2.gz ODSJKEMODZRFSJ-KRWDZBQOSA-N 0 1 299.393 3.664 20 0 CHADMN Fc1ccc([C@@H](NCC(C2CC2)C2CC2)c2ncc[nH]2)cc1 ZINC000525857644 328302324 /nfs/dbraw/zinc/30/23/24/328302324.db2.gz ODSJKEMODZRFSJ-QGZVFWFLSA-N 0 1 299.393 3.664 20 0 CHADMN CCC(=O)Nc1cccc(CN[C@@H](C)c2ccsc2)c1 ZINC000531936523 328321632 /nfs/dbraw/zinc/32/16/32/328321632.db2.gz PXQVILHMLIKWEQ-LBPRGKRZSA-N 0 1 288.416 3.947 20 0 CHADMN Cc1oc(C[N@@H+](C)Cc2ccc(Cl)s2)cc1C(=O)[O-] ZINC000048985010 328327911 /nfs/dbraw/zinc/32/79/11/328327911.db2.gz WWTVNCGXWKRCDL-UHFFFAOYSA-N 0 1 299.779 3.633 20 0 CHADMN Cc1oc(C[N@H+](C)Cc2ccc(Cl)s2)cc1C(=O)[O-] ZINC000048985010 328327913 /nfs/dbraw/zinc/32/79/13/328327913.db2.gz WWTVNCGXWKRCDL-UHFFFAOYSA-N 0 1 299.779 3.633 20 0 CHADMN CCCc1nc(CN[C@@H]2CCCC[C@H]2C(C)(C)C)no1 ZINC000111173937 328332666 /nfs/dbraw/zinc/33/26/66/328332666.db2.gz FWQCGTODGWKGLI-CHWSQXEVSA-N 0 1 279.428 3.717 20 0 CHADMN C[C@H](N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1ccoc1 ZINC000531958603 328340412 /nfs/dbraw/zinc/34/04/12/328340412.db2.gz OVYRPAAONYSBIC-RLFYNMQTSA-N 0 1 284.403 3.766 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H](C)c2ccoc2)C1 ZINC000531958602 328340475 /nfs/dbraw/zinc/34/04/75/328340475.db2.gz OVYRPAAONYSBIC-HDMKZQKVSA-N 0 1 284.403 3.766 20 0 CHADMN Cc1ccnc(NCC2(c3ccc(F)cc3F)CC2)c1 ZINC000534883255 328366794 /nfs/dbraw/zinc/36/67/94/328366794.db2.gz CRWXVPPQEXPFOL-UHFFFAOYSA-N 0 1 274.314 3.812 20 0 CHADMN C[C@H]1C[C@H]1CN(C)Cc1ccccc1Br ZINC000111734790 328377835 /nfs/dbraw/zinc/37/78/35/328377835.db2.gz UGBBZSCKDKOUPH-JQWIXIFHSA-N 0 1 268.198 3.537 20 0 CHADMN C[C@@H](NCC(C)(C)Oc1ccccc1)c1cscn1 ZINC000535064268 328382018 /nfs/dbraw/zinc/38/20/18/328382018.db2.gz TZLFSEHGOCNHEE-GFCCVEGCSA-N 0 1 276.405 3.651 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@@H]2c2ccccn2)c1 ZINC000535067664 328383334 /nfs/dbraw/zinc/38/33/34/328383334.db2.gz YIYXDBWZXNDAEQ-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN CCc1ccc(CN(C)Cc2scnc2C)s1 ZINC000535086141 328387181 /nfs/dbraw/zinc/38/71/81/328387181.db2.gz ITKJEELFWLRXJN-UHFFFAOYSA-N 0 1 266.435 3.707 20 0 CHADMN CCC(CC)N(Cc1ccsc1C(=O)OC)C1CC1 ZINC000532036389 328398174 /nfs/dbraw/zinc/39/81/74/328398174.db2.gz JILWPAYOOJQGQW-UHFFFAOYSA-N 0 1 281.421 3.688 20 0 CHADMN CC[C@@H](NCc1ccccc1CO)c1ccc(F)cc1F ZINC000305166553 328394948 /nfs/dbraw/zinc/39/49/48/328394948.db2.gz YPGFOLZSZBXTTD-QGZVFWFLSA-N 0 1 291.341 3.698 20 0 CHADMN Cc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccccn1 ZINC000152325539 328497596 /nfs/dbraw/zinc/49/75/96/328497596.db2.gz YZWPSSBPNRVMDH-GUYCJALGSA-N 0 1 252.361 3.728 20 0 CHADMN Cc1nnsc1CN(Cc1cccc(C)c1)CC(C)C ZINC000575320463 335093247 /nfs/dbraw/zinc/09/32/47/335093247.db2.gz VJHRYCDDGKCTKT-UHFFFAOYSA-N 0 1 289.448 3.813 20 0 CHADMN C[C@@H]1C[C@H](NCc2csnn2)C[C@@H](c2ccccc2)C1 ZINC000398361293 328591064 /nfs/dbraw/zinc/59/10/64/328591064.db2.gz FSODBVRTFYVVLP-QEJZJMRPSA-N 0 1 287.432 3.600 20 0 CHADMN CCOC(C)(C)CNCc1c(Cl)cccc1Cl ZINC000159291513 330845879 /nfs/dbraw/zinc/84/58/79/330845879.db2.gz ZSRUVRPZSXTZDN-UHFFFAOYSA-N 0 1 276.207 3.898 20 0 CHADMN CCCC[C@@H]1CCC[C@@H]1N[C@H](C)c1csnn1 ZINC000450731214 330996809 /nfs/dbraw/zinc/99/68/09/330996809.db2.gz XLNBWWMWWOFYFD-UTUOFQBUSA-N 0 1 253.415 3.548 20 0 CHADMN CC(C)=CCC[C@H](C)N[C@@H](CO)c1c(F)cccc1F ZINC000537988128 326811300 /nfs/dbraw/zinc/81/13/00/326811300.db2.gz QGCXBBXECZGFMT-WFASDCNBSA-N 0 1 283.362 3.723 20 0 CHADMN Cc1nc2c(Cl)cccc2c(NCC2(C)COC2)c1C ZINC000583967316 326819501 /nfs/dbraw/zinc/81/95/01/326819501.db2.gz YPKYCEHZAXIRJU-UHFFFAOYSA-N 0 1 290.794 3.953 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@H](C)c1cccs1)CCO2 ZINC000037235422 326842479 /nfs/dbraw/zinc/84/24/79/326842479.db2.gz SLNCJZLVSVKJNL-BXUZGUMPSA-N 0 1 289.400 3.931 20 0 CHADMN C[C@H](NCc1ccc(Br)s1)c1ccoc1 ZINC000087289926 326879300 /nfs/dbraw/zinc/87/93/00/326879300.db2.gz GKMIULGWFYYMGS-QMMMGPOBSA-N 0 1 286.194 3.954 20 0 CHADMN CC(C)(C)[C@@H]1CN(c2ccnc3cc(F)ccc32)CCO1 ZINC000447816830 326880774 /nfs/dbraw/zinc/88/07/74/326880774.db2.gz LHQSMSWYBAEQPV-INIZCTEOSA-N 0 1 288.366 3.625 20 0 CHADMN Cc1ccc(CN[C@H]2c3ccc(F)cc3O[C@H]2C)cc1 ZINC000575212033 326928060 /nfs/dbraw/zinc/92/80/60/326928060.db2.gz FMUIPUFRLOMPFB-YVEFUNNKSA-N 0 1 271.335 3.746 20 0 CHADMN C[C@@H]1CCC[C@H](CN[C@@H](c2ncc[nH]2)c2cccnc2)[C@@H]1C ZINC000564814283 326959556 /nfs/dbraw/zinc/95/95/56/326959556.db2.gz WVMFRGANYUZOFX-KCYZZUKISA-N 0 1 298.434 3.556 20 0 CHADMN Cc1cnc(C(C)(C)NC/C=C\c2ccccc2)s1 ZINC000255527406 326990086 /nfs/dbraw/zinc/99/00/86/326990086.db2.gz WVHYXYMOMSQRGA-YFHOEESVSA-N 0 1 272.417 3.990 20 0 CHADMN CCCc1ccccc1NS(=O)(=O)c1ccsc1 ZINC000506708990 332777975 /nfs/dbraw/zinc/77/79/75/332777975.db2.gz VSRWEXQQGATBKI-UHFFFAOYSA-N 0 1 281.402 3.501 20 0 CHADMN OC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000339753243 327014746 /nfs/dbraw/zinc/01/47/46/327014746.db2.gz KPGHNEZESVEJJA-NSHDSACASA-N 0 1 288.218 3.588 20 0 CHADMN OC[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000339753243 327014747 /nfs/dbraw/zinc/01/47/47/327014747.db2.gz KPGHNEZESVEJJA-NSHDSACASA-N 0 1 288.218 3.588 20 0 CHADMN CCn1cncc1CN[C@@H](C)c1cc2ccccc2o1 ZINC000090171174 327031673 /nfs/dbraw/zinc/03/16/73/327031673.db2.gz OUODLLHVAWMLLY-LBPRGKRZSA-N 0 1 269.348 3.500 20 0 CHADMN O=S(=O)(Nc1ccccc1)c1csc2ccccc21 ZINC000506583235 332775000 /nfs/dbraw/zinc/77/50/00/332775000.db2.gz AFTMVTKXEXXCKL-UHFFFAOYSA-N 0 1 289.381 3.702 20 0 CHADMN CC1(CN(Cc2ccc(F)cc2F)C2CC2)CC1 ZINC000584149129 327049878 /nfs/dbraw/zinc/04/98/78/327049878.db2.gz IKJPBOZBSJVVKD-UHFFFAOYSA-N 0 1 251.320 3.729 20 0 CHADMN COc1ccncc1CN(C)[C@H]1CCCc2ccccc21 ZINC000558086647 327064013 /nfs/dbraw/zinc/06/40/13/327064013.db2.gz FLKNCHCHGIVXIU-KRWDZBQOSA-N 0 1 282.387 3.600 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)o1 ZINC000584237064 327073136 /nfs/dbraw/zinc/07/31/36/327073136.db2.gz JMXIXIQNVOBBLV-OAHLLOKOSA-N 0 1 299.370 3.575 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000584237287 327073158 /nfs/dbraw/zinc/07/31/58/327073158.db2.gz SJSGDXSUIHEQEY-CQSZACIVSA-N 0 1 299.370 3.584 20 0 CHADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000263518452 327074168 /nfs/dbraw/zinc/07/41/68/327074168.db2.gz PUTQYWRCYSHYAL-UKRRQHHQSA-N 0 1 289.419 3.669 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCC[C@@H]2C2CCCC2)cs1 ZINC000565897106 327084332 /nfs/dbraw/zinc/08/43/32/327084332.db2.gz DOSLAPHOQMDGGY-CYBMUJFWSA-N 0 1 279.405 3.601 20 0 CHADMN C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(Cl)cs1 ZINC000558410780 327092295 /nfs/dbraw/zinc/09/22/95/327092295.db2.gz CCSLWVWYHKLKEF-DGCLKSJQSA-N 0 1 287.856 3.917 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000566015342 327116299 /nfs/dbraw/zinc/11/62/99/327116299.db2.gz SBSNWEURCADEOG-QGZVFWFLSA-N 0 1 289.419 3.901 20 0 CHADMN Cc1cc(C)cc(OCCN[C@H](C)c2ccncc2F)c1 ZINC000558734167 327118209 /nfs/dbraw/zinc/11/82/09/327118209.db2.gz OGTKJQUMCVHVOH-CQSZACIVSA-N 0 1 288.366 3.567 20 0 CHADMN O=C([O-])[C@H](c1ccc(F)cc1)[N@H+]1CCC2(C1)CCCCC2 ZINC000573259299 327130161 /nfs/dbraw/zinc/13/01/61/327130161.db2.gz QIMHZQUKGWOEGO-HNNXBMFYSA-N 0 1 291.366 3.608 20 0 CHADMN C[C@H](N[C@H](CN(C)C)c1ccc(Cl)cc1)c1ccoc1 ZINC000558968000 327135480 /nfs/dbraw/zinc/13/54/80/327135480.db2.gz FWADXYAKDGNXDJ-BLLLJJGKSA-N 0 1 292.810 3.887 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@H](c2cccnc2)C1 ZINC000564919501 327147058 /nfs/dbraw/zinc/14/70/58/327147058.db2.gz CUHGJDFLUOLZIH-HIFRSBDPSA-N 0 1 299.418 3.918 20 0 CHADMN c1ccc2c(c1)OC1(CCN([C@H]3C=CCCCCC3)C1)O2 ZINC000559247489 327150042 /nfs/dbraw/zinc/15/00/42/327150042.db2.gz AYWFZEQMXCWAIV-HNNXBMFYSA-N 0 1 285.387 3.749 20 0 CHADMN COc1ccc(-c2cnc(CN(C)C(C)(C)C)o2)cc1 ZINC000564928310 327157631 /nfs/dbraw/zinc/15/76/31/327157631.db2.gz AIDDZIFXIGEKHX-UHFFFAOYSA-N 0 1 274.364 3.581 20 0 CHADMN CCC[N@@H+](Cc1coc(-c2ccccc2)n1)C(C)C ZINC000569351720 327157649 /nfs/dbraw/zinc/15/76/49/327157649.db2.gz MDERERNLHNFEMA-UHFFFAOYSA-N 0 1 258.365 3.962 20 0 CHADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1 ZINC000086777825 327159056 /nfs/dbraw/zinc/15/90/56/327159056.db2.gz DXCYYKHWGUYDEW-UHFFFAOYSA-N 0 1 290.190 3.536 20 0 CHADMN Fc1cccc(CNCc2ccc(OC(F)F)c(F)c2)c1 ZINC000168011300 327163012 /nfs/dbraw/zinc/16/30/12/327163012.db2.gz UOZPWAHADQNIPI-UHFFFAOYSA-N 0 1 299.267 3.856 20 0 CHADMN CCC[C@@H]1CCC[N@H+]([C@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000518546910 327173315 /nfs/dbraw/zinc/17/33/15/327173315.db2.gz QRXYDWTWONSXKY-CHWSQXEVSA-N 0 1 279.380 3.859 20 0 CHADMN Cc1n[nH]cc1CNC1(c2ccc(F)cc2F)CCCC1 ZINC000089801714 327173665 /nfs/dbraw/zinc/17/36/65/327173665.db2.gz LSKQOOCOFZFNJP-UHFFFAOYSA-N 0 1 291.345 3.555 20 0 CHADMN Fc1ccc(C2(NCc3cccnc3)CCCC2)c(F)c1 ZINC000089801693 327173690 /nfs/dbraw/zinc/17/36/90/327173690.db2.gz NQKYCRGPMGIACW-UHFFFAOYSA-N 0 1 288.341 3.919 20 0 CHADMN C[C@@H]1CC[C@H](NCc2noc(-c3cccs3)n2)C[C@@H]1C ZINC000569434580 327176764 /nfs/dbraw/zinc/17/67/64/327176764.db2.gz WYLDFXSBBIRUKF-WOPDTQHZSA-N 0 1 291.420 3.712 20 0 CHADMN COc1ccc(CN[C@H](C)c2cncc(F)c2)cc1Cl ZINC000090468860 327179176 /nfs/dbraw/zinc/17/91/76/327179176.db2.gz FANLDKQIMKFPGC-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN CN(CCCOc1cccc(Cl)c1)Cc1cncs1 ZINC000092166076 327187390 /nfs/dbraw/zinc/18/73/90/327187390.db2.gz JLHYKHOHLOHTSP-UHFFFAOYSA-N 0 1 296.823 3.697 20 0 CHADMN CC(C)C[C@H](C)C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000410415963 327192841 /nfs/dbraw/zinc/19/28/41/327192841.db2.gz VPAYKGIAJOXFQX-KBPBESRZSA-N 0 1 267.438 3.804 20 0 CHADMN CC(C)C[C@H](C)CN1CCO[C@H](c2cccs2)C1 ZINC000410415963 327192842 /nfs/dbraw/zinc/19/28/42/327192842.db2.gz VPAYKGIAJOXFQX-KBPBESRZSA-N 0 1 267.438 3.804 20 0 CHADMN C[C@H]1CCN(Cc2cncs2)[C@@H]1c1cccc(F)c1 ZINC000093735832 327199323 /nfs/dbraw/zinc/19/93/23/327199323.db2.gz XQCAGUNEOFPYAO-NHYWBVRUSA-N 0 1 276.380 3.865 20 0 CHADMN c1nc(C2CC2)sc1CN1CCS[C@H]2CCCC[C@@H]21 ZINC000093690391 327199411 /nfs/dbraw/zinc/19/94/11/327199411.db2.gz CGLODEHMAJROOD-KBPBESRZSA-N 0 1 294.489 3.881 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C2CC3(CCC3)C2)c1 ZINC000569607200 327209602 /nfs/dbraw/zinc/20/96/02/327209602.db2.gz MCJHACLCFZMYBT-UHFFFAOYSA-N 0 1 287.359 3.504 20 0 CHADMN CN(Cc1ccc(Cl)cn1)[C@@H]1CCc2ccccc21 ZINC000554318253 327209632 /nfs/dbraw/zinc/20/96/32/327209632.db2.gz URIKRLMIJWPGRC-MRXNPFEDSA-N 0 1 272.779 3.854 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000569611706 327212236 /nfs/dbraw/zinc/21/22/36/327212236.db2.gz JLOTWNHTTLTLOO-NVXWUHKLSA-N 0 1 289.419 3.736 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cccc(C3CC3)c2)n1 ZINC000584299816 327229864 /nfs/dbraw/zinc/22/98/64/327229864.db2.gz WGTMGQNOMGNCLN-CQSZACIVSA-N 0 1 271.364 3.660 20 0 CHADMN FC(F)Oc1cccc(CN2CCc3ccsc3C2)c1 ZINC000536369518 327232839 /nfs/dbraw/zinc/23/28/39/327232839.db2.gz SEKODFPNOVCEGQ-UHFFFAOYSA-N 0 1 295.354 3.908 20 0 CHADMN C[C@@H]1CN(CCCc2ccccc2Br)[C@@H]1C ZINC000584304893 327233622 /nfs/dbraw/zinc/23/36/22/327233622.db2.gz OYAZIXLYHIJNJM-VXGBXAGGSA-N 0 1 282.225 3.722 20 0 CHADMN Cc1c(Br)cccc1CN1CCC12CCC2 ZINC000536378067 327234015 /nfs/dbraw/zinc/23/40/15/327234015.db2.gz KGBZFYKUTBFMBM-UHFFFAOYSA-N 0 1 280.209 3.886 20 0 CHADMN Fc1ccc(SCCN2CCOCC23CCCC3)cc1 ZINC000536487405 327241102 /nfs/dbraw/zinc/24/11/02/327241102.db2.gz BFJBHVFTURVPDJ-UHFFFAOYSA-N 0 1 295.423 3.563 20 0 CHADMN FC[C@H]1CCCN1CCOc1ccc(C(F)(F)F)cc1 ZINC000559411662 327244224 /nfs/dbraw/zinc/24/42/24/327244224.db2.gz UJXCZLJUGQXULV-GFCCVEGCSA-N 0 1 291.288 3.518 20 0 CHADMN CCCCN1CCc2cc(OC)c(Cl)cc2C1 ZINC000559450725 327246093 /nfs/dbraw/zinc/24/60/93/327246093.db2.gz LASGNTWLZHNNBE-UHFFFAOYSA-N 0 1 253.773 3.507 20 0 CHADMN CC(C)[C@@H]1CN(Cc2ccccc2OC(F)F)CCCO1 ZINC000559497920 327249043 /nfs/dbraw/zinc/24/90/43/327249043.db2.gz QOGPCJZKNQLXNC-HNNXBMFYSA-N 0 1 299.361 3.535 20 0 CHADMN C[C@H](NCc1ccc(Cl)cc1)c1cn2ccccc2n1 ZINC000556233763 327251399 /nfs/dbraw/zinc/25/13/99/327251399.db2.gz REBBMVYIUOCLPA-LBPRGKRZSA-N 0 1 285.778 3.839 20 0 CHADMN CC1(C)CN(CCc2ccccc2Cl)[C@@H]1[C@@H]1CCCO1 ZINC000564395635 327252417 /nfs/dbraw/zinc/25/24/17/327252417.db2.gz GEVHFIKSZIUPHB-JKSUJKDBSA-N 0 1 293.838 3.772 20 0 CHADMN CC[C@H](C)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000538589278 327265649 /nfs/dbraw/zinc/26/56/49/327265649.db2.gz IEFAFMSIIZJEEM-SOUVJXGZSA-N 0 1 276.424 3.506 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)N[C@@H](C)c2cnn(C)c2)c1 ZINC000044497045 327267625 /nfs/dbraw/zinc/26/76/25/327267625.db2.gz XZASUYBBULIVHG-KGLIPLIRSA-N 0 1 287.407 3.619 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(C(F)(F)F)cc1)c1cnn(C)c1 ZINC000044497632 327268079 /nfs/dbraw/zinc/26/80/79/327268079.db2.gz HQSDPQKJIGZFIW-QWRGUYRKSA-N 0 1 297.324 3.851 20 0 CHADMN C[C@H](N[C@H]1CCc2ccc(F)cc21)c1cn2ccccc2n1 ZINC000559918815 327271256 /nfs/dbraw/zinc/27/12/56/327271256.db2.gz ITDLQGMPMHVRFA-LRDDRELGSA-N 0 1 295.361 3.812 20 0 CHADMN C[C@H]1CCC[C@H](C)N(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000559981129 327275176 /nfs/dbraw/zinc/27/51/76/327275176.db2.gz FYPUVGMHIBVNLM-KBPBESRZSA-N 0 1 297.402 3.727 20 0 CHADMN CCC1CC(N[C@@H](CO)c2c(Cl)cccc2Cl)C1 ZINC000560234898 327291802 /nfs/dbraw/zinc/29/18/02/327291802.db2.gz AIXMDQNZGBUWDU-ZPPKWKGLSA-N 0 1 288.218 3.805 20 0 CHADMN CCC(=O)Nc1cccc(CN[C@H](C)c2cc(C)ccn2)c1 ZINC000560516812 327317405 /nfs/dbraw/zinc/31/74/05/327317405.db2.gz ONLNQFVMFAMUMU-CQSZACIVSA-N 0 1 297.402 3.589 20 0 CHADMN CN1CCN(Cc2sccc2Cl)c2ccccc2C1 ZINC000560542170 327321897 /nfs/dbraw/zinc/32/18/97/327321897.db2.gz KWAGVDBGTMOQGC-UHFFFAOYSA-N 0 1 292.835 3.854 20 0 CHADMN COC[C@@H]1CCN1Cc1ccc(-c2ccccc2)cc1OC ZINC000560563414 327325731 /nfs/dbraw/zinc/32/57/31/327325731.db2.gz MYTXPAFVYJZSIJ-SFHVURJKSA-N 0 1 297.398 3.583 20 0 CHADMN CCCC[C@@H](NCc1cnccn1)c1ccc(OC)cc1 ZINC000560584471 327328161 /nfs/dbraw/zinc/32/81/61/327328161.db2.gz VWBARWDAYRRVHR-QGZVFWFLSA-N 0 1 285.391 3.506 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H]2CF)cc(C)c1OC(F)F ZINC000560611626 327330325 /nfs/dbraw/zinc/33/03/25/327330325.db2.gz MJIFWTNJHMFKRL-CYBMUJFWSA-N 0 1 287.325 3.839 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2CF)cc(C)c1OC(F)F ZINC000560611626 327330326 /nfs/dbraw/zinc/33/03/26/327330326.db2.gz MJIFWTNJHMFKRL-CYBMUJFWSA-N 0 1 287.325 3.839 20 0 CHADMN CC1(C)CCC(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)CC1 ZINC000261802693 327345559 /nfs/dbraw/zinc/34/55/59/327345559.db2.gz YXUSACLOGJEGFQ-PMPSAXMXSA-N 0 1 293.451 3.921 20 0 CHADMN CCCC[C@@H](C)N(CCCC)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000583450255 327373366 /nfs/dbraw/zinc/37/33/66/327373366.db2.gz JURDMKPJBWIPBK-HUUCEWRRSA-N 0 1 293.455 3.796 20 0 CHADMN CCCC[C@@H](C)N(CCCC)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000583450256 327373452 /nfs/dbraw/zinc/37/34/52/327373452.db2.gz JURDMKPJBWIPBK-LSDHHAIUSA-N 0 1 293.455 3.796 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2n[nH]c(C(C)C)n2)c(C)c1 ZINC000428473207 327387276 /nfs/dbraw/zinc/38/72/76/327387276.db2.gz LQUZWPWAWKHWDM-AWEZNQCLSA-N 0 1 286.423 3.738 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccn(C(C)C)n1)[C@H](C)C2 ZINC000561493855 327399349 /nfs/dbraw/zinc/39/93/49/327399349.db2.gz PCFQFCJWXUJBLO-RDTXWAMCSA-N 0 1 283.419 3.796 20 0 CHADMN CC1=C[C@@H](C)C[C@@H](CNCc2nc(-c3ccccc3)no2)C1 ZINC000562211372 327456409 /nfs/dbraw/zinc/45/64/09/327456409.db2.gz LAHMBYTUICHGQH-UKRRQHHQSA-N 0 1 297.402 3.819 20 0 CHADMN Cc1cccc(C(=O)Nc2cccc(Cl)c2O)c1 ZINC000172111838 327487256 /nfs/dbraw/zinc/48/72/56/327487256.db2.gz DDVKBQSLFYQMJB-UHFFFAOYSA-N 0 1 261.708 3.606 20 0 CHADMN CCc1ccc([C@H](CO)N[C@@H](C)c2ncccc2CC)cc1 ZINC000507485606 332809267 /nfs/dbraw/zinc/80/92/67/332809267.db2.gz MKQBMFDUQXHRKS-KSSFIOAISA-N 0 1 298.430 3.591 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@@H]1CCc2c1cccc2OC ZINC000507460827 332806896 /nfs/dbraw/zinc/80/68/96/332806896.db2.gz JSMPXNVWOPCWRJ-SUMWQHHRSA-N 0 1 296.414 3.991 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccc(F)c(C)c1 ZINC000507469904 332807888 /nfs/dbraw/zinc/80/78/88/332807888.db2.gz LOFITLOMYZCLEO-ZDUSSCGKSA-N 0 1 272.367 3.942 20 0 CHADMN CC(F)(F)CNC1CCC(OC2CCCC2)CC1 ZINC000570246155 327578333 /nfs/dbraw/zinc/57/83/33/327578333.db2.gz QKLSYQYXCJDRBK-UHFFFAOYSA-N 0 1 261.356 3.502 20 0 CHADMN CCCOc1ncccc1CN[C@H](C)c1cccs1 ZINC000154694151 327588057 /nfs/dbraw/zinc/58/80/57/327588057.db2.gz ARKILFFRBFQSKU-GFCCVEGCSA-N 0 1 276.405 3.783 20 0 CHADMN CCc1nc([C@H](C)NC[C@H]2CCC3(CCCC3)O2)cs1 ZINC000570461051 327593580 /nfs/dbraw/zinc/59/35/80/327593580.db2.gz NJMWZKMUFCXHHU-QWHCGFSZSA-N 0 1 294.464 3.848 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccncc2OC)s1 ZINC000526083761 328609369 /nfs/dbraw/zinc/60/93/69/328609369.db2.gz WBKWSAUJBABIHJ-NSHDSACASA-N 0 1 276.405 3.565 20 0 CHADMN CCC[C@H](CC)S(=O)(=O)Nc1scnc1C(C)C ZINC000563891592 328643670 /nfs/dbraw/zinc/64/36/70/328643670.db2.gz ZZUJPJFFJZUOHK-JTQLQIEISA-N 0 1 290.454 3.587 20 0 CHADMN CCCCO[C@@H]1C[C@@H](N[C@@H](C)c2cscn2)C1(C)C ZINC000536626241 328670254 /nfs/dbraw/zinc/67/02/54/328670254.db2.gz PVSHUDOUMWIHMJ-IACUBPJLSA-N 0 1 282.453 3.778 20 0 CHADMN C[C@@H](NCCc1ccc(OC(F)F)cc1)c1cscn1 ZINC000536628436 328670764 /nfs/dbraw/zinc/67/07/64/328670764.db2.gz LRXDTPWZNHMEGK-SNVBAGLBSA-N 0 1 298.358 3.638 20 0 CHADMN CC[C@H](C)CNc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000536754349 328689346 /nfs/dbraw/zinc/68/93/46/328689346.db2.gz XKLKWALIMIPJBS-JYJNAYRXSA-N 0 1 290.451 3.754 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000395320476 328735953 /nfs/dbraw/zinc/73/59/53/328735953.db2.gz LKOZPXKPBZHDBV-ZDUSSCGKSA-N 0 1 291.370 3.881 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)C(C)(C)C)c1ccncn1 ZINC000395936769 328782174 /nfs/dbraw/zinc/78/21/74/328782174.db2.gz ZMJYRYSELGRQBI-XJKSGUPXSA-N 0 1 269.392 3.915 20 0 CHADMN Cc1cc(CN[C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)no1 ZINC000526980393 328818745 /nfs/dbraw/zinc/81/87/45/328818745.db2.gz HGYSDWDMBBARKV-ZMLRMANQSA-N 0 1 296.823 3.980 20 0 CHADMN CCC(CC)[C@H](NCc1ccc(OC)nn1)c1ccccc1 ZINC000514134111 328833593 /nfs/dbraw/zinc/83/35/93/328833593.db2.gz IDTACFVHFXGDQP-SFHVURJKSA-N 0 1 299.418 3.752 20 0 CHADMN CC(C)n1ncc2c1[C@@H](N[C@@H](C)c1ccoc1)CCC2 ZINC000375183132 329001634 /nfs/dbraw/zinc/00/16/34/329001634.db2.gz MRLNVSYJKMIHBI-WFASDCNBSA-N 0 1 273.380 3.785 20 0 CHADMN c1sc(C2CC2)nc1CN1CCC[C@H](C2CC2)C1 ZINC000377523203 329017527 /nfs/dbraw/zinc/01/75/27/329017527.db2.gz HZNHCUOTSSVJQL-ZDUSSCGKSA-N 0 1 262.422 3.643 20 0 CHADMN CC(C)(C)[C@H]1C[C@@H](NCc2noc3c2CCCC3)CS1 ZINC000377884417 329033523 /nfs/dbraw/zinc/03/35/23/329033523.db2.gz OIAHDVBZHUZMAX-IAQYHMDHSA-N 0 1 294.464 3.563 20 0 CHADMN COc1ccc(CN[C@H]2COc3c2cccc3Cl)cc1 ZINC000378091600 329039620 /nfs/dbraw/zinc/03/96/20/329039620.db2.gz MAVPXLJSVYXQHM-HNNXBMFYSA-N 0 1 289.762 3.572 20 0 CHADMN CN1Cc2ccccc2[C@@H](NCc2ccc(Cl)s2)C1 ZINC000378268454 329044728 /nfs/dbraw/zinc/04/47/28/329044728.db2.gz FPCZEQACDQTKKO-AWEZNQCLSA-N 0 1 292.835 3.678 20 0 CHADMN CCC[C@H](N[C@H]1CN(C)Cc2ccccc21)c1ccccn1 ZINC000378404711 329049164 /nfs/dbraw/zinc/04/91/64/329049164.db2.gz PMBKDDKHKLAREZ-OALUTQOASA-N 0 1 295.430 3.699 20 0 CHADMN Cc1cccc(NCCc2ccc(OC(F)F)cc2)n1 ZINC000547786060 329058651 /nfs/dbraw/zinc/05/86/51/329058651.db2.gz BIWOTZKNTAHGQV-UHFFFAOYSA-N 0 1 278.302 3.646 20 0 CHADMN CC(C)c1nc(CSCc2n[nH]c(C3CC3)n2)cs1 ZINC000193613589 329059945 /nfs/dbraw/zinc/05/99/45/329059945.db2.gz SZXXSUIUMDTTMO-UHFFFAOYSA-N 0 1 294.449 3.695 20 0 CHADMN Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2nccn2C(C)C)cc1 ZINC000172077599 329080987 /nfs/dbraw/zinc/08/09/87/329080987.db2.gz VLFCKPCHCVBSHX-SFHVURJKSA-N 0 1 297.446 3.980 20 0 CHADMN CC1(C)OCC[C@H]1NCc1cc(Cl)sc1Cl ZINC000393463640 329092741 /nfs/dbraw/zinc/09/27/41/329092741.db2.gz BLVLPCDDIOVDLF-MRVPVSSYSA-N 0 1 280.220 3.712 20 0 CHADMN Cc1ccc2ncc(CN3CCOC[C@@H]3C3CCC3)cc2c1 ZINC000582544332 329104702 /nfs/dbraw/zinc/10/47/02/329104702.db2.gz HMBSOQABMYWWMO-LJQANCHMSA-N 0 1 296.414 3.544 20 0 CHADMN C[C@]1(c2ccccc2)CN(C[C@H]2CCCC2(F)F)CCO1 ZINC000582587438 329112838 /nfs/dbraw/zinc/11/28/38/329112838.db2.gz QHAAWFKKKOXGRR-HZPDHXFCSA-N 0 1 295.373 3.669 20 0 CHADMN COc1ccncc1CN(C)CC(C)(C)c1ccc(C)cc1 ZINC000582743770 329134873 /nfs/dbraw/zinc/13/48/73/329134873.db2.gz RBDRAJYNWCOVDD-UHFFFAOYSA-N 0 1 298.430 3.808 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2CCC[C@@H](C)[C@@H]2C)c(C)c1 ZINC000172855075 329139653 /nfs/dbraw/zinc/13/96/53/329139653.db2.gz DPLCRHPPQJLENH-CJNGLKHVSA-N 0 1 288.435 3.671 20 0 CHADMN CCn1cccc1CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000582765768 329155050 /nfs/dbraw/zinc/15/50/50/329155050.db2.gz MXUVGQUFIUVINN-WFASDCNBSA-N 0 1 258.365 3.514 20 0 CHADMN CC[C@]1(C)CCCN(Cc2nc(-c3ccsc3)no2)C1 ZINC000174197973 329155329 /nfs/dbraw/zinc/15/53/29/329155329.db2.gz IIAMSJBUJPJNES-OAHLLOKOSA-N 0 1 291.420 3.810 20 0 CHADMN CCc1ccc([C@@H]2C[C@@H](C)CCN2Cc2cnn(C)c2)o1 ZINC000174447760 329159270 /nfs/dbraw/zinc/15/92/70/329159270.db2.gz IZMGAKRHWIPSMP-BBRMVZONSA-N 0 1 287.407 3.549 20 0 CHADMN CO[C@H](C)c1nc(CN2C[C@H](C)CCC[C@H]2C)cs1 ZINC000175262233 329167172 /nfs/dbraw/zinc/16/71/72/329167172.db2.gz QKWRFFNTEVFJLK-JHJVBQTASA-N 0 1 282.453 3.861 20 0 CHADMN CN(Cc1ccc[nH]1)Cc1ccc(OC(F)(F)F)cc1 ZINC000175427288 329168222 /nfs/dbraw/zinc/16/82/22/329168222.db2.gz AINJZCZGDOFUBX-UHFFFAOYSA-N 0 1 284.281 3.545 20 0 CHADMN c1ccc2oc(CN3CCS[C@@H]4CCCC[C@@H]43)nc2c1 ZINC000177189913 329181719 /nfs/dbraw/zinc/18/17/19/329181719.db2.gz LHHIYAZGHQCSGF-DZGCQCFKSA-N 0 1 288.416 3.688 20 0 CHADMN CCOc1ccc2c(c1)[C@@H](NCc1ccsc1)CCO2 ZINC000178024410 329191616 /nfs/dbraw/zinc/19/16/16/329191616.db2.gz CCZHQBXKQVYOOW-HNNXBMFYSA-N 0 1 289.400 3.760 20 0 CHADMN C[C@@H]1CCN(Cc2cc(-c3cccs3)on2)[C@@H]1C ZINC000177899811 329193897 /nfs/dbraw/zinc/19/38/97/329193897.db2.gz OZWDZYXIVFNJCG-GHMZBOCLSA-N 0 1 262.378 3.633 20 0 CHADMN CCOc1ccc2c(c1)[C@H](N[C@H](C)c1ccncc1)CCO2 ZINC000178129082 329196630 /nfs/dbraw/zinc/19/66/30/329196630.db2.gz BLGMWCPWXAMXLK-CXAGYDPISA-N 0 1 298.386 3.655 20 0 CHADMN COc1ccc(CN(C)Cc2cc3ccccc3o2)cc1O ZINC000178537919 329198249 /nfs/dbraw/zinc/19/82/49/329198249.db2.gz XGCSDCCKNIVHKD-UHFFFAOYSA-N 0 1 297.354 3.779 20 0 CHADMN OC[C@@H]1c2ccccc2CCN1Cc1cc2ccccc2o1 ZINC000178545650 329198255 /nfs/dbraw/zinc/19/82/55/329198255.db2.gz WYPHPIKETORILN-GOSISDBHSA-N 0 1 293.366 3.525 20 0 CHADMN C[C@@H](SCc1n[nH]c(C2CC2)n1)c1ccccc1F ZINC000179652568 329210939 /nfs/dbraw/zinc/21/09/39/329210939.db2.gz MHJBQWRJZMMHHP-SECBINFHSA-N 0 1 277.368 3.816 20 0 CHADMN Clc1ccccc1SCc1n[nH]c(C2CC2)n1 ZINC000179647698 329211033 /nfs/dbraw/zinc/21/10/33/329211033.db2.gz SUVYMMGXTQSOQZ-UHFFFAOYSA-N 0 1 265.769 3.628 20 0 CHADMN C[C@@H]1CN(Cc2cnn3ccccc23)[C@@H]1c1ccccc1 ZINC000180222479 329218621 /nfs/dbraw/zinc/21/86/21/329218621.db2.gz GMDKFTQHDFMVPD-KDOFPFPSSA-N 0 1 277.371 3.527 20 0 CHADMN Cc1n[nH]cc1CN1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000180781539 329222962 /nfs/dbraw/zinc/22/29/62/329222962.db2.gz FDOGLZWXQFKYNF-UHFFFAOYSA-N 0 1 281.403 3.624 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3cc(C)cc(C)c3)C2)oc1C ZINC000183481685 329247967 /nfs/dbraw/zinc/24/79/67/329247967.db2.gz CWMFNLOAUJQQPK-MRXNPFEDSA-N 0 1 284.403 3.898 20 0 CHADMN Cc1cnc(CN2CC[C@H](c3cc(C)cc(C)c3)C2)o1 ZINC000183486314 329247988 /nfs/dbraw/zinc/24/79/88/329247988.db2.gz VGYPADPKADHDLR-HNNXBMFYSA-N 0 1 270.376 3.589 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CCCCCC2)s1 ZINC000183567063 329248704 /nfs/dbraw/zinc/24/87/04/329248704.db2.gz BCENDWHNMUTAPS-UHFFFAOYSA-N 0 1 278.343 3.846 20 0 CHADMN CCc1ccc(C(=O)Nc2cccc(Cl)c2O)c(C)n1 ZINC000184084361 329255922 /nfs/dbraw/zinc/25/59/22/329255922.db2.gz CFTOFLKYTWKKMA-UHFFFAOYSA-N 0 1 290.750 3.564 20 0 CHADMN CCCN(CCc1cccs1)Cc1nc(C(C)C)no1 ZINC000184506470 329259401 /nfs/dbraw/zinc/25/94/01/329259401.db2.gz WVTWBOOHQZKMRR-UHFFFAOYSA-N 0 1 293.436 3.709 20 0 CHADMN C[C@H]1C[C@@H](c2cccnc2)N(Cc2cccc(F)c2)C1 ZINC000184896856 329263670 /nfs/dbraw/zinc/26/36/70/329263670.db2.gz NRRSVMKLPYWZHF-GUYCJALGSA-N 0 1 270.351 3.804 20 0 CHADMN Cc1cccnc1CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185305183 329272772 /nfs/dbraw/zinc/27/27/72/329272772.db2.gz QASWOLGCHBDXSU-CYBMUJFWSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1noc(C)c1CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185324028 329273064 /nfs/dbraw/zinc/27/30/64/329273064.db2.gz KXIAIJYHLXFIJX-GFCCVEGCSA-N 0 1 292.329 3.559 20 0 CHADMN CC[C@H](C)CN(CC)C(=O)c1[nH]nc2ccc(Cl)cc21 ZINC000582979861 329293953 /nfs/dbraw/zinc/29/39/53/329293953.db2.gz JLZDXCHOTPELHA-JTQLQIEISA-N 0 1 293.798 3.725 20 0 CHADMN CC(C)[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000395742561 329300885 /nfs/dbraw/zinc/30/08/85/329300885.db2.gz BMCDMALWZCBTIF-HNNXBMFYSA-N 0 1 279.355 3.534 20 0 CHADMN CCc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000583172927 329332402 /nfs/dbraw/zinc/33/24/02/329332402.db2.gz OSHIWNFSIDWDGY-MSOLQXFVSA-N 0 1 285.431 3.783 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000392448698 329340713 /nfs/dbraw/zinc/34/07/13/329340713.db2.gz GFSTUHBQJXADDN-SFYZADRCSA-N 0 1 299.205 3.832 20 0 CHADMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(O)cc(F)c2)C1 ZINC000186262642 329341109 /nfs/dbraw/zinc/34/11/09/329341109.db2.gz IJXLDZRIUABMJH-DZGCQCFKSA-N 0 1 283.412 3.637 20 0 CHADMN Cc1cccc([C@@H](C)[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC000532905053 329341540 /nfs/dbraw/zinc/34/15/40/329341540.db2.gz WOCISGSNGLMKRL-OAHLLOKOSA-N 0 1 297.398 3.959 20 0 CHADMN Cc1nnc([C@H](C)[NH2+][C@H](C)c2cccc3ccccc32)[nH]1 ZINC000392459680 329341641 /nfs/dbraw/zinc/34/16/41/329341641.db2.gz MCXQALWFFBXECQ-NEPJUHHUSA-N 0 1 280.375 3.678 20 0 CHADMN Cc1nc(C)c([C@H](C)N(C)Cc2ccc(C)nc2C)s1 ZINC000187004402 329351390 /nfs/dbraw/zinc/35/13/90/329351390.db2.gz XJIONLUVWWTTFJ-ZDUSSCGKSA-N 0 1 289.448 3.965 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCCC3(CC3)C2)c1 ZINC000186967067 329352633 /nfs/dbraw/zinc/35/26/33/329352633.db2.gz SXIIGBPWOKCCKU-OAHLLOKOSA-N 0 1 286.419 3.506 20 0 CHADMN Cc1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)c(C)n1 ZINC000187145994 329353602 /nfs/dbraw/zinc/35/36/02/329353602.db2.gz AIAMQDZDCXQROY-JKSUJKDBSA-N 0 1 276.449 3.558 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CC[C@]2(CCOC2)C1 ZINC000187154700 329354095 /nfs/dbraw/zinc/35/40/95/329354095.db2.gz HHAIFEROGHDWDY-ABAIWWIYSA-N 0 1 283.774 3.653 20 0 CHADMN CC[C@@H](NCc1ccc(C)nc1C)c1c(C)noc1C ZINC000187492957 329358295 /nfs/dbraw/zinc/35/82/95/329358295.db2.gz DAFPZQXZUVNNQR-OAHLLOKOSA-N 0 1 273.380 3.544 20 0 CHADMN C[C@H]1C[N@@H+](Cc2occc2C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000583209903 329365682 /nfs/dbraw/zinc/36/56/82/329365682.db2.gz XJVKUTXBAUMISJ-DZGCQCFKSA-N 0 1 299.370 3.603 20 0 CHADMN Cc1ncncc1[C@H](C)NCc1ccc(C(C)(C)C)cc1 ZINC000583214909 329370378 /nfs/dbraw/zinc/37/03/78/329370378.db2.gz VOFYAHXHOCFKBJ-ZDUSSCGKSA-N 0 1 283.419 3.933 20 0 CHADMN OC[C@H](NC1CCCC1)c1c(Cl)cccc1Cl ZINC000038122860 329372557 /nfs/dbraw/zinc/37/25/57/329372557.db2.gz TZCNWCDLZUEDLH-LBPRGKRZSA-N 0 1 274.191 3.559 20 0 CHADMN CCCc1ccccc1NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000024504893 329372731 /nfs/dbraw/zinc/37/27/31/329372731.db2.gz KWWANGFUFKIWII-UHFFFAOYSA-N 0 1 295.342 3.875 20 0 CHADMN C[C@@H](CC(F)(F)F)NCc1cc(F)c(F)cc1F ZINC000231750966 329378619 /nfs/dbraw/zinc/37/86/19/329378619.db2.gz WKJFVBRLXGQRNT-LURJTMIESA-N 0 1 271.204 3.534 20 0 CHADMN O=C([O-])CCCC[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000516976056 329379326 /nfs/dbraw/zinc/37/93/26/329379326.db2.gz SLHNSWUSGPYWMC-UHFFFAOYSA-N 0 1 287.359 3.537 20 0 CHADMN C[C@@H]1C[C@H](c2cccnc2)N(Cc2cnn(C(C)(C)C)c2)C1 ZINC000190001988 329391744 /nfs/dbraw/zinc/39/17/44/329391744.db2.gz BPPVRGQYBLTZMD-RHSMWYFYSA-N 0 1 298.434 3.616 20 0 CHADMN Cc1cc(S(=O)(=O)Nc2ccsc2)sc1Cl ZINC000190301011 329394468 /nfs/dbraw/zinc/39/44/68/329394468.db2.gz YUGXJVSKXGLAEL-UHFFFAOYSA-N 0 1 293.822 3.572 20 0 CHADMN CCCCNC(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000532909236 329398580 /nfs/dbraw/zinc/39/85/80/329398580.db2.gz WJWWBMYMOZBLRG-OAHLLOKOSA-N 0 1 298.430 3.576 20 0 CHADMN Fc1cccc2c1OCC[C@@H]2NCc1ccsc1 ZINC000191129306 329409418 /nfs/dbraw/zinc/40/94/18/329409418.db2.gz CWUKAKFOYDBJEC-ZDUSSCGKSA-N 0 1 263.337 3.501 20 0 CHADMN CCOC(=O)c1ccc(CNCc2ccc(C3CC3)cc2)o1 ZINC000191681613 329416980 /nfs/dbraw/zinc/41/69/80/329416980.db2.gz SPRGDNWQNYPBMX-UHFFFAOYSA-N 0 1 299.370 3.624 20 0 CHADMN Cc1cc(CN[C@H]2c3ccc(F)cc3O[C@H]2C)ccc1F ZINC000567271061 329563015 /nfs/dbraw/zinc/56/30/15/329563015.db2.gz ACOLGFMBXXNMNO-APPDUMDISA-N 0 1 289.325 3.885 20 0 CHADMN Cc1csc(CN[C@@H](C)c2cc3c(s2)CCC3)n1 ZINC000126248704 329591060 /nfs/dbraw/zinc/59/10/60/329591060.db2.gz KLIDTQJGXPTKOJ-JTQLQIEISA-N 0 1 278.446 3.853 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2ccccc21)c1cccc(O)c1 ZINC000194876142 329689364 /nfs/dbraw/zinc/68/93/64/329689364.db2.gz KDTUBMGXZITSLX-CXAGYDPISA-N 0 1 283.371 3.957 20 0 CHADMN CC(C)[C@@H](CC(F)(F)F)N[C@@H](C)c1cscn1 ZINC000527100128 329694326 /nfs/dbraw/zinc/69/43/26/329694326.db2.gz VHGAUUTWBWCHLH-DTWKUNHWSA-N 0 1 266.332 3.771 20 0 CHADMN Cc1cc(C)cc(CN[C@@H]2c3ccccc3O[C@H]2C)c1 ZINC000564124628 329697878 /nfs/dbraw/zinc/69/78/78/329697878.db2.gz SHIUHVCXGNWVCE-KSSFIOAISA-N 0 1 267.372 3.915 20 0 CHADMN C[C@@H](NCCOCC1CCC1)c1nc(C(C)(C)C)cs1 ZINC000419245128 329714266 /nfs/dbraw/zinc/71/42/66/329714266.db2.gz NTPZHOZYDYMSCP-GFCCVEGCSA-N 0 1 296.480 3.908 20 0 CHADMN Cc1nc2cc(NCC3(C)CCC3)ccc2n1[C@H](C)CO ZINC000419770410 329745067 /nfs/dbraw/zinc/74/50/67/329745067.db2.gz XBDIIWILDQZWQS-GFCCVEGCSA-N 0 1 287.407 3.500 20 0 CHADMN Cc1cccnc1CN[C@H](CC(F)F)c1ccccc1 ZINC000420996659 329796726 /nfs/dbraw/zinc/79/67/26/329796726.db2.gz QTLHCILQMOAZOA-CQSZACIVSA-N 0 1 276.330 3.876 20 0 CHADMN CO[C@@H]1CCCC[C@@H]1NCc1csc(C2CCCC2)n1 ZINC000429498520 329803132 /nfs/dbraw/zinc/80/31/32/329803132.db2.gz QWHWZFXGNYDRSW-LSDHHAIUSA-N 0 1 294.464 3.848 20 0 CHADMN Cc1c(Cl)c(CNC(C)(C)CC(C)(C)C)nn1C ZINC000421320577 329811652 /nfs/dbraw/zinc/81/16/52/329811652.db2.gz ANYNICOVIKVBIO-UHFFFAOYSA-N 0 1 271.836 3.686 20 0 CHADMN Cn1ccnc1[C@@H](NCc1cccc(C2CC2)c1)C1CC1 ZINC000421360368 329822743 /nfs/dbraw/zinc/82/27/43/329822743.db2.gz ZGJRUHXJKHGEMI-KRWDZBQOSA-N 0 1 281.403 3.538 20 0 CHADMN CCCOc1ccc([C@@H](C)NCc2ccco2)cc1OC ZINC000069708407 329854358 /nfs/dbraw/zinc/85/43/58/329854358.db2.gz RMRPTRZWBNJJKH-CYBMUJFWSA-N 0 1 289.375 3.928 20 0 CHADMN CCOCCN(Cc1cccs1)Cc1cccs1 ZINC000071115048 329856373 /nfs/dbraw/zinc/85/63/73/329856373.db2.gz WLPXRNNVQDTDAI-UHFFFAOYSA-N 0 1 281.446 3.848 20 0 CHADMN COc1ccccc1/C=C\CNC(C)(C)c1nccs1 ZINC000255226617 329964566 /nfs/dbraw/zinc/96/45/66/329964566.db2.gz VIDOXMGLDZFRNM-VURMDHGXSA-N 0 1 288.416 3.690 20 0 CHADMN C[C@@H](c1ccc(Cl)s1)c1nc(C2(N)CCCC2)no1 ZINC000261634618 329973686 /nfs/dbraw/zinc/97/36/86/329973686.db2.gz CUSVWGCSEDEBLK-QMMMGPOBSA-N 0 1 297.811 3.664 20 0 CHADMN Cc1nc(CNCc2ccc(C)c3ccccc23)[nH]c1C ZINC000572379719 330021074 /nfs/dbraw/zinc/02/10/74/330021074.db2.gz ONAOUPHYLBVOEY-UHFFFAOYSA-N 0 1 279.387 3.778 20 0 CHADMN Cc1ccc(-c2cccc(C[N@H+]3CC[C@@H](C(=O)[O-])C3)c2)cc1 ZINC000263410459 330054637 /nfs/dbraw/zinc/05/46/37/330054637.db2.gz LHBNKWDQLTXZCE-GOSISDBHSA-N 0 1 295.382 3.569 20 0 CHADMN Cc1ccc(-c2ccc(C[N@@H+](C)CCC(=O)[O-])s2)cc1 ZINC000263427573 330055290 /nfs/dbraw/zinc/05/52/90/330055290.db2.gz RAMQWHRRWLDHHY-UHFFFAOYSA-N 0 1 289.400 3.630 20 0 CHADMN CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000263431060 330055558 /nfs/dbraw/zinc/05/55/58/330055558.db2.gz SCQVIHCQNUPRMH-GOEBONIOSA-N 0 1 275.392 3.785 20 0 CHADMN CC(C)C[C@@H](C[N@H+]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000263442358 330056011 /nfs/dbraw/zinc/05/60/11/330056011.db2.gz WXRVHGHUQWBYGZ-SJORKVTESA-N 0 1 289.419 3.613 20 0 CHADMN O=C([O-])c1cccc(C[N@@H+](CC2CC2)C2CCCCC2)c1 ZINC000263453154 330056514 /nfs/dbraw/zinc/05/65/14/330056514.db2.gz GUKXCTNMRCCEIW-UHFFFAOYSA-N 0 1 287.403 3.930 20 0 CHADMN CC(C)[N@@H+](CC(=O)[O-])Cc1cc(-c2ccccc2)cs1 ZINC000263454923 330056699 /nfs/dbraw/zinc/05/66/99/330056699.db2.gz AOTSJIPRCVAALT-UHFFFAOYSA-N 0 1 289.400 3.710 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000263490624 330057694 /nfs/dbraw/zinc/05/76/94/330057694.db2.gz ILBXARWLMOXZGW-FPSMNIFISA-N 0 1 299.414 3.508 20 0 CHADMN CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263490906 330057757 /nfs/dbraw/zinc/05/77/57/330057757.db2.gz RDLMQOGZYVXUMF-BBRMVZONSA-N 0 1 275.392 3.785 20 0 CHADMN C[C@@H](C[N@@H+](C)CC1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000263529918 330059213 /nfs/dbraw/zinc/05/92/13/330059213.db2.gz VYJIHXZXQPKDJP-UQPPLGOBSA-N 0 1 289.419 3.613 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000263573262 330059679 /nfs/dbraw/zinc/05/96/79/330059679.db2.gz MDDDHXGRJXVOFD-OAHLLOKOSA-N 0 1 299.345 3.513 20 0 CHADMN CC/C=C/CC[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000572414795 330064920 /nfs/dbraw/zinc/06/49/20/330064920.db2.gz MDGNHFRTNVJFPZ-ONEGZZNKSA-N 0 1 275.392 3.710 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)o1 ZINC000162534022 330065778 /nfs/dbraw/zinc/06/57/78/330065778.db2.gz PYBMYLQSFBSSLR-MRXNPFEDSA-N 0 1 299.370 3.696 20 0 CHADMN Cc1ccc2nc(S[C@H]3CCO[C@H](C)C3)[nH]c2c1 ZINC000421825910 330083526 /nfs/dbraw/zinc/08/35/26/330083526.db2.gz PYILABHAWXSAMB-MNOVXSKESA-N 0 1 262.378 3.531 20 0 CHADMN Cc1ccsc1CN[C@H](C)c1ccncc1Cl ZINC000421826589 330083744 /nfs/dbraw/zinc/08/37/44/330083744.db2.gz TWSVYOGXIDTXBN-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1ccsc1CN[C@@H](C)c1ccncc1Cl ZINC000421826588 330083787 /nfs/dbraw/zinc/08/37/87/330083787.db2.gz TWSVYOGXIDTXBN-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN CCC[C@H](NCc1cc(C)nc(C)c1)c1ccccn1 ZINC000421848128 330095615 /nfs/dbraw/zinc/09/56/15/330095615.db2.gz ACBPQHOVVJUUGL-INIZCTEOSA-N 0 1 269.392 3.724 20 0 CHADMN COc1ccc([C@H](N[C@H]2CCC[C@H]2F)C2CC2)c(F)c1 ZINC000421862772 330098288 /nfs/dbraw/zinc/09/82/88/330098288.db2.gz WQMJFFVZGFOMTA-VNQPRFMTSA-N 0 1 281.346 3.766 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@H](CC(F)F)c1ccccc1 ZINC000421880120 330102328 /nfs/dbraw/zinc/10/23/28/330102328.db2.gz QACYXOGNMFTADI-XHDPSFHLSA-N 0 1 293.361 3.776 20 0 CHADMN C[C@H](N[C@H]1CCC[C@H]1c1ccccc1)c1nc(C2CC2)no1 ZINC000275678297 330110727 /nfs/dbraw/zinc/11/07/27/330110727.db2.gz YMEWTXFVQQWOBO-RCBQFDQVSA-N 0 1 297.402 3.934 20 0 CHADMN CN(Cc1ccc(Cl)s1)Cc1cccc2c[nH]nc21 ZINC000162772870 330114328 /nfs/dbraw/zinc/11/43/28/330114328.db2.gz BXHWZIRIFPPQRI-UHFFFAOYSA-N 0 1 291.807 3.910 20 0 CHADMN CC(C)C[N@@H+](C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000580456618 330141112 /nfs/dbraw/zinc/14/11/12/330141112.db2.gz KDCBUDVASMKQAN-LBPRGKRZSA-N 0 1 290.190 3.707 20 0 CHADMN CC(C)Oc1cccc(CN(C)Cc2cccc(O)c2)c1 ZINC000080919480 330153439 /nfs/dbraw/zinc/15/34/39/330153439.db2.gz PRPYOCFTLJYJGG-UHFFFAOYSA-N 0 1 285.387 3.811 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc3c(c2)CCCN3)o1 ZINC000423446724 330202406 /nfs/dbraw/zinc/20/24/06/330202406.db2.gz CTHZBMNZBIACJP-CYBMUJFWSA-N 0 1 270.376 3.797 20 0 CHADMN Cc1ccccc1Cc1noc([C@@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000527203312 330235282 /nfs/dbraw/zinc/23/52/82/330235282.db2.gz FLDAEKKNAJDDJR-QLFBSQMISA-N 0 1 299.418 3.903 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2ccc(F)c(F)c2)cn1 ZINC000397116820 330238643 /nfs/dbraw/zinc/23/86/43/330238643.db2.gz VYBPFNDZOLGLEJ-LBPRGKRZSA-N 0 1 276.330 3.827 20 0 CHADMN CCCOc1c(CN2[C@@H](C)C[C@@H]2C)cccc1OCC ZINC000527238833 330240629 /nfs/dbraw/zinc/24/06/29/330240629.db2.gz VKSGQINIOUMEMY-KBPBESRZSA-N 0 1 277.408 3.857 20 0 CHADMN C[C@@]1(O)CCCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000527239646 330241010 /nfs/dbraw/zinc/24/10/10/330241010.db2.gz YYMJTTMZMUMUEM-CQSZACIVSA-N 0 1 288.218 3.730 20 0 CHADMN C[C@H]1CCCC[C@H]1CC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000527495727 330249636 /nfs/dbraw/zinc/24/96/36/330249636.db2.gz PSMHIGUYZAVENI-STQMWFEESA-N 0 1 298.390 3.627 20 0 CHADMN FC1(CNCc2ccccc2OC2CCCC2)CC1 ZINC000527520493 330256413 /nfs/dbraw/zinc/25/64/13/330256413.db2.gz GAWANKHPCLZBTF-UHFFFAOYSA-N 0 1 263.356 3.600 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cnc(C2CC2)s1 ZINC000527529386 330258094 /nfs/dbraw/zinc/25/80/94/330258094.db2.gz FXGNUXXENWAOMD-LDYMZIIASA-N 0 1 290.354 3.793 20 0 CHADMN Cc1ccc(CN2[C@H](C)C[C@@H]2C)c(Br)c1 ZINC000527529433 330258150 /nfs/dbraw/zinc/25/81/50/330258150.db2.gz NNNMXQUOPHMERI-PHIMTYICSA-N 0 1 268.198 3.740 20 0 CHADMN Cc1cc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)ccn1 ZINC000527540989 330261402 /nfs/dbraw/zinc/26/14/02/330261402.db2.gz WYBXGRMAYOADGV-AWEZNQCLSA-N 0 1 298.352 3.945 20 0 CHADMN COc1ccc(C)cc1CN1CCC(F)(F)C[C@@H]1C ZINC000528766160 330262600 /nfs/dbraw/zinc/26/26/00/330262600.db2.gz JKWOGQNSRYVHNO-LBPRGKRZSA-N 0 1 269.335 3.623 20 0 CHADMN Cc1cc(CN[C@H](c2ncccc2C)C(C)C)ccn1 ZINC000527537268 330263675 /nfs/dbraw/zinc/26/36/75/330263675.db2.gz ABJMFWBRQXTAFG-INIZCTEOSA-N 0 1 269.392 3.580 20 0 CHADMN C/C(Cl)=C\CN1CCCC[C@H]1c1cccn1C ZINC000528401405 330264239 /nfs/dbraw/zinc/26/42/39/330264239.db2.gz WJMLLQPCGUTCSU-BCNIOPEESA-N 0 1 252.789 3.695 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2ccc3cc[nH]c3c2)n[nH]1 ZINC000527700652 330274721 /nfs/dbraw/zinc/27/47/21/330274721.db2.gz NXTZOAOOTYAQCI-RYUDHWBXSA-N 0 1 297.406 3.650 20 0 CHADMN CC(C)(NCc1cc[nH]c1)c1nc2ccccc2s1 ZINC000527743355 330280302 /nfs/dbraw/zinc/28/03/02/330280302.db2.gz HLZBEVWDINZMJU-UHFFFAOYSA-N 0 1 271.389 3.649 20 0 CHADMN C[C@H](N[C@H](c1ccccn1)C1CCC1)c1cncc(F)c1 ZINC000527772498 330282009 /nfs/dbraw/zinc/28/20/09/330282009.db2.gz OOKQJEAEZSUCFE-SJCJKPOMSA-N 0 1 285.366 3.808 20 0 CHADMN CC[C@H](NCc1cccc(OC)n1)c1cc(C)ccc1C ZINC000527819251 330282760 /nfs/dbraw/zinc/28/27/60/330282760.db2.gz IIAUEKKPTZDZLP-KRWDZBQOSA-N 0 1 284.403 3.948 20 0 CHADMN CC(C)O[C@@]1(C)C[C@H]1NCc1cnc(C2CCCC2)s1 ZINC000527803243 330284269 /nfs/dbraw/zinc/28/42/69/330284269.db2.gz VYJHPXVFSPAPDC-ZBFHGGJFSA-N 0 1 294.464 3.846 20 0 CHADMN Fc1cc2c(cc1Cl)[C@H](NCc1ccoc1)CC2 ZINC000527845893 330287725 /nfs/dbraw/zinc/28/77/25/330287725.db2.gz AZOHPQHTJNZRDD-CQSZACIVSA-N 0 1 265.715 3.849 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc(C(C)C)c2)n(C)n1 ZINC000527898749 330293007 /nfs/dbraw/zinc/29/30/07/330293007.db2.gz LMZIECYXAQCWCM-AWEZNQCLSA-N 0 1 271.408 3.703 20 0 CHADMN C[C@H](NCCC(C)(F)F)c1cc(-c2ccccc2)n(C)n1 ZINC000527900604 330293366 /nfs/dbraw/zinc/29/33/66/330293366.db2.gz HQCFFDVKFAPDMX-LBPRGKRZSA-N 0 1 293.361 3.783 20 0 CHADMN Cc1nnsc1CN[C@@H](c1cccc(C)c1)C(C)C ZINC000527900799 330293372 /nfs/dbraw/zinc/29/33/72/330293372.db2.gz IYNZQDFENNGWEC-OAHLLOKOSA-N 0 1 275.421 3.642 20 0 CHADMN Cc1ncncc1[C@H](C)NCc1ccccc1CC(C)C ZINC000527916619 330295156 /nfs/dbraw/zinc/29/51/56/330295156.db2.gz JCUTVAKMRWSPDQ-AWEZNQCLSA-N 0 1 283.419 3.834 20 0 CHADMN CC(C)Cc1ccccc1CN[C@@H](C)c1cnccn1 ZINC000527918188 330295311 /nfs/dbraw/zinc/29/53/11/330295311.db2.gz FQNQLCHSOHGJAT-AWEZNQCLSA-N 0 1 269.392 3.526 20 0 CHADMN COCCC1CCN([C@@H](C)c2cccc(F)c2F)CC1 ZINC000527932129 330297550 /nfs/dbraw/zinc/29/75/50/330297550.db2.gz DYCPQGMTMVRXDE-LBPRGKRZSA-N 0 1 283.362 3.774 20 0 CHADMN COCCC1CCN([C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000527935640 330297899 /nfs/dbraw/zinc/29/78/99/330297899.db2.gz NBRLITBRQVLENA-MRXNPFEDSA-N 0 1 295.373 3.701 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000527994093 330299339 /nfs/dbraw/zinc/29/93/39/330299339.db2.gz NWWYZFVHMONTAP-MEDUHNTESA-N 0 1 287.794 3.777 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H](c1ccccn1)C1CCC1 ZINC000527961470 330300664 /nfs/dbraw/zinc/30/06/64/330300664.db2.gz BIDQGEDTLJUOGS-RDTXWAMCSA-N 0 1 281.403 3.977 20 0 CHADMN C[C@H](N[C@@H](c1ccccn1)C1CCC1)c1ccccn1 ZINC000527969610 330301621 /nfs/dbraw/zinc/30/16/21/330301621.db2.gz RFXROZKOJOZTIK-SUMWQHHRSA-N 0 1 267.376 3.669 20 0 CHADMN Cc1cccc([C@@H](N[C@H](C)c2ccncn2)C(C)C)c1 ZINC000528010316 330303859 /nfs/dbraw/zinc/30/38/59/330303859.db2.gz MKRNEIYPSUDSCI-PBHICJAKSA-N 0 1 269.392 3.833 20 0 CHADMN Cc1oc2ccccc2c1CNCc1cncn1C(C)C ZINC000424161122 330306923 /nfs/dbraw/zinc/30/69/23/330306923.db2.gz BMMWOWFVCVAUCK-UHFFFAOYSA-N 0 1 283.375 3.808 20 0 CHADMN CC[C@H](Nc1ncnc2[nH]cnc21)c1cc(C)ccc1C ZINC000528223543 330315781 /nfs/dbraw/zinc/31/57/81/330315781.db2.gz QCKIYNUOCKPJQD-ZDUSSCGKSA-N 0 1 281.363 3.533 20 0 CHADMN CC1(C(=O)Nc2ccc3nc[nH]c3c2)CCC(F)(F)CC1 ZINC000528269341 330318117 /nfs/dbraw/zinc/31/81/17/330318117.db2.gz XEHFATRUQZYWPU-UHFFFAOYSA-N 0 1 293.317 3.717 20 0 CHADMN C/C(Cl)=C/CN1CCC([C@@H](O)c2ccccc2C)CC1 ZINC000528501738 330318335 /nfs/dbraw/zinc/31/83/35/330318335.db2.gz DBZRTCKJBJJDLN-UBWHZCOUSA-N 0 1 293.838 3.883 20 0 CHADMN C/C(Cl)=C/CN1CCC([C@H](O)c2ccccc2)CC1 ZINC000528343267 330319771 /nfs/dbraw/zinc/31/97/71/330319771.db2.gz AOXLLRWAKXUTLK-VXXVJXPCSA-N 0 1 279.811 3.575 20 0 CHADMN CO[C@H](CN(C)Cc1ccoc1C)c1ccc(F)cc1 ZINC000528357041 330321930 /nfs/dbraw/zinc/32/19/30/330321930.db2.gz IMVHXYYTIBUFBT-MRXNPFEDSA-N 0 1 277.339 3.547 20 0 CHADMN Cc1cc([C@H](C)NC(=O)c2ccc(O)c(Cl)c2)c(C)o1 ZINC000044731481 330331491 /nfs/dbraw/zinc/33/14/91/330331491.db2.gz WFILHRITWTWNIC-VIFPVBQESA-N 0 1 293.750 3.746 20 0 CHADMN CCc1ccc(CC[N@H+]2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000424267336 330332415 /nfs/dbraw/zinc/33/24/15/330332415.db2.gz XYPVQDYMWLFWDA-KRWDZBQOSA-N 0 1 289.419 3.511 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN(C)CC(C)(C)C ZINC000045084675 330338389 /nfs/dbraw/zinc/33/83/89/330338389.db2.gz NKQCMVCOANQMDK-UHFFFAOYSA-N 0 1 277.408 3.766 20 0 CHADMN COc1ccnc(CSc2nc3ccc(C)cc3[nH]2)c1 ZINC000106587127 330340577 /nfs/dbraw/zinc/34/05/77/330340577.db2.gz LZIAUTJEKWAONL-UHFFFAOYSA-N 0 1 285.372 3.567 20 0 CHADMN C[C@H](NCCC(C)(C)C(=O)OC(C)(C)C)c1nccs1 ZINC000424336548 330343370 /nfs/dbraw/zinc/34/33/70/330343370.db2.gz YWARTMRDWLABHS-NSHDSACASA-N 0 1 298.452 3.552 20 0 CHADMN C/C(=C\C(C)(C)C)c1nc(C2(N)CCCCC2)no1 ZINC000424345140 330344589 /nfs/dbraw/zinc/34/45/89/330344589.db2.gz MRSBIRHSPAVHIP-ZHACJKMWSA-N 0 1 263.385 3.637 20 0 CHADMN CC(C)C1CCC(C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])CC1 ZINC000424417557 330350735 /nfs/dbraw/zinc/35/07/35/330350735.db2.gz MDZPUVPXMAEMQZ-PRLABOORSA-N 0 1 281.440 3.634 20 0 CHADMN CC[C@@H]1CCCN(Cc2nc3cc(F)ccc3n2CC)C1 ZINC000533224342 330353775 /nfs/dbraw/zinc/35/37/75/330353775.db2.gz JRYOKSYFHRGZTP-CYBMUJFWSA-N 0 1 289.398 3.817 20 0 CHADMN CCC1CCN(Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000533279606 330356307 /nfs/dbraw/zinc/35/63/07/330356307.db2.gz RLEXODJUVHCSIA-UHFFFAOYSA-N 0 1 291.826 3.849 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])[C@@H](C)c1ccc(Cl)cc1Cl ZINC000086775805 330370819 /nfs/dbraw/zinc/37/08/19/330370819.db2.gz LEGLRMPVLXVIQE-VIFPVBQESA-N 0 1 290.190 3.851 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000086778896 330370910 /nfs/dbraw/zinc/37/09/10/330370910.db2.gz MBSAAIRDUQUSOG-DZGCQCFKSA-N 0 1 281.783 3.588 20 0 CHADMN C[C@H](C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000086807211 330371045 /nfs/dbraw/zinc/37/10/45/330371045.db2.gz TWFJJLSBUFIWCX-BDAKNGLRSA-N 0 1 290.190 3.707 20 0 CHADMN Cc1cccnc1CNCc1ccc(Cl)c(Cl)c1 ZINC000071339008 330372263 /nfs/dbraw/zinc/37/22/63/330372263.db2.gz FLJJIBGHZZRNIS-UHFFFAOYSA-N 0 1 281.186 3.987 20 0 CHADMN C[C@@H]1CCN(C(=O)c2ccc(O)c(Cl)c2)C[C@@H](C)C1 ZINC000119354336 330372584 /nfs/dbraw/zinc/37/25/84/330372584.db2.gz DFIBTEPLEFVOJT-MNOVXSKESA-N 0 1 281.783 3.554 20 0 CHADMN CCc1nn(C)c(CC)c1CN(C)[C@H](C)c1ccccc1 ZINC000119385128 330374230 /nfs/dbraw/zinc/37/42/30/330374230.db2.gz WFQVQTWJIINKBA-CQSZACIVSA-N 0 1 285.435 3.738 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cnn(C)c1 ZINC000057860849 330379129 /nfs/dbraw/zinc/37/91/29/330379129.db2.gz ODIMFSSFZHCDFS-OAHLLOKOSA-N 0 1 277.799 3.657 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)N(C)Cc1cnn(C)c1 ZINC000057860849 330379130 /nfs/dbraw/zinc/37/91/30/330379130.db2.gz ODIMFSSFZHCDFS-OAHLLOKOSA-N 0 1 277.799 3.657 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)[C@@]3(C)C[C@@H]3F)cc2[nH]1 ZINC000424567114 330379300 /nfs/dbraw/zinc/37/93/00/330379300.db2.gz QLIMKHIKZIBALY-LRDDRELGSA-N 0 1 289.354 3.547 20 0 CHADMN C[C@H](c1ccccc1F)N(C)C(=O)c1c(O)cccc1F ZINC000120133470 330384712 /nfs/dbraw/zinc/38/47/12/330384712.db2.gz IMNFZBRRWFYDNR-SNVBAGLBSA-N 0 1 291.297 3.504 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN(C)[C@H]1CCSC1 ZINC000089937412 330389030 /nfs/dbraw/zinc/38/90/30/330389030.db2.gz MVZBTXHKVISJEC-LBPRGKRZSA-N 0 1 294.445 3.649 20 0 CHADMN CC1CCC(CNC(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000058617178 330390174 /nfs/dbraw/zinc/39/01/74/330390174.db2.gz FZNRVYULURREFW-UHFFFAOYSA-N 0 1 281.783 3.602 20 0 CHADMN CCOC(=O)C1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000058874855 330392349 /nfs/dbraw/zinc/39/23/49/330392349.db2.gz WFQXTYUWCPYFQW-LBPRGKRZSA-N 0 1 295.810 3.676 20 0 CHADMN CCSc1ccccc1[C@H](C)NCc1cnn(C)c1C ZINC000090887715 330397058 /nfs/dbraw/zinc/39/70/58/330397058.db2.gz WUHSWOPYYVKGSI-LBPRGKRZSA-N 0 1 289.448 3.691 20 0 CHADMN CCO[C@@H]1C[C@@H](NCc2cc(C(CC)CC)no2)C1(C)C ZINC000537295436 330431477 /nfs/dbraw/zinc/43/14/77/330431477.db2.gz LJIJTBNGGBEUOA-HZPDHXFCSA-N 0 1 294.439 3.871 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cccs1)CCCO2 ZINC000098173018 330456695 /nfs/dbraw/zinc/45/66/95/330456695.db2.gz RLAXEFXKVOYAQA-CQSZACIVSA-N 0 1 277.364 3.891 20 0 CHADMN CCc1cccc(CNCc2ccc(OC)cc2F)c1 ZINC000515490653 330478458 /nfs/dbraw/zinc/47/84/58/330478458.db2.gz RHSHIIZXVFNJLK-UHFFFAOYSA-N 0 1 273.351 3.687 20 0 CHADMN C[C@H](N[C@@H](C)[C@@H]1CC2CCC1CC2)c1nc(C2CC2)no1 ZINC000515655883 330481221 /nfs/dbraw/zinc/48/12/21/330481221.db2.gz UKKDCLZFHYKJIJ-NMOTYAQPSA-N 0 1 289.423 3.812 20 0 CHADMN CCSc1cccc(CN[C@@H](C)c2cnn(CC)c2)c1 ZINC000426333094 330504616 /nfs/dbraw/zinc/50/46/16/330504616.db2.gz GIMNTINUCPRYDR-ZDUSSCGKSA-N 0 1 289.448 3.866 20 0 CHADMN Cc1ccnc(NCCc2cc3ccccc3[nH]2)c1 ZINC000433442921 330627969 /nfs/dbraw/zinc/62/79/69/330627969.db2.gz JOVCISQEVILZHS-UHFFFAOYSA-N 0 1 251.333 3.526 20 0 CHADMN O=C(Nc1ccc2[nH]ccc2c1)c1cc(Cl)ccc1O ZINC000436755219 330684385 /nfs/dbraw/zinc/68/43/85/330684385.db2.gz LVXJUHRYJPTALT-UHFFFAOYSA-N 0 1 286.718 3.779 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCC[C@@H](c2ccccc2)C1 ZINC000436853200 330686798 /nfs/dbraw/zinc/68/67/98/330686798.db2.gz QPNBRSQYPIHHOJ-CQSZACIVSA-N 0 1 299.345 3.551 20 0 CHADMN Oc1cc(Cl)c(/C=C\c2ccncn2)cc1Cl ZINC000436862229 330686888 /nfs/dbraw/zinc/68/68/88/330686888.db2.gz DLTBZWFBAHYFOC-UPHRSURJSA-N 0 1 267.115 3.659 20 0 CHADMN Cc1ncc(CNCc2ccccc2N(C)C(C)C)s1 ZINC000438347389 330722232 /nfs/dbraw/zinc/72/22/32/330722232.db2.gz SUTXRURWKVQPOK-UHFFFAOYSA-N 0 1 289.448 3.586 20 0 CHADMN CCOc1ccc([C@@H](C)NC[C@H](F)CC)cc1OCC ZINC000440771141 330755660 /nfs/dbraw/zinc/75/56/60/330755660.db2.gz MOLSYSIRTRAMSZ-TZMCWYRMSA-N 0 1 283.387 3.883 20 0 CHADMN C[C@@H]1CC[C@H](NC(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000444462872 330813305 /nfs/dbraw/zinc/81/33/05/330813305.db2.gz FKQUIKYMNOYGGP-APPZFPTMSA-N 0 1 288.174 3.617 20 0 CHADMN CCCCN(CCCC)Cc1nncn1-c1ccccc1 ZINC000444595884 330814622 /nfs/dbraw/zinc/81/46/22/330814622.db2.gz OUCGEIBDEXIHSL-UHFFFAOYSA-N 0 1 286.423 3.670 20 0 CHADMN OCC1(NCc2nc(C3CCCCC3)cs2)CCCC1 ZINC000444662091 330817500 /nfs/dbraw/zinc/81/75/00/330817500.db2.gz MINJKUGUAWXVST-UHFFFAOYSA-N 0 1 294.464 3.586 20 0 CHADMN CCc1nc(C)c(CN[C@@H](c2cccs2)C2CC2)o1 ZINC000336812624 330835131 /nfs/dbraw/zinc/83/51/31/330835131.db2.gz ARNRSJOSAXNBAR-OAHLLOKOSA-N 0 1 276.405 3.848 20 0 CHADMN COc1cc(CNCc2ccc(C)cc2OC)ccc1C ZINC000194364552 330842197 /nfs/dbraw/zinc/84/21/97/330842197.db2.gz IIGMIWVDKQFSHV-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN CCO[C@@H](CNCc1ncc(CC)s1)c1ccccc1 ZINC000446835811 330855914 /nfs/dbraw/zinc/85/59/14/330855914.db2.gz QQBJITLXBXWDCS-HNNXBMFYSA-N 0 1 290.432 3.573 20 0 CHADMN CCCC[C@@H](CC)CNC(=O)c1sccc1CN(C)C ZINC000447088118 330861040 /nfs/dbraw/zinc/86/10/40/330861040.db2.gz FLADDYAIWHSEDK-CYBMUJFWSA-N 0 1 296.480 3.756 20 0 CHADMN CO[C@H](C)CNC1(c2c(Cl)cccc2Cl)CCC1 ZINC000447389280 330865883 /nfs/dbraw/zinc/86/58/83/330865883.db2.gz ZQIXTZCTMSXDNI-SNVBAGLBSA-N 0 1 288.218 3.997 20 0 CHADMN COC(=O)c1coc([C@H](C)N[C@@H]2c3ccccc3C[C@@H]2C)c1 ZINC000447572944 330870616 /nfs/dbraw/zinc/87/06/16/330870616.db2.gz FFANTNOIUXZUBB-PRXAMGSTSA-N 0 1 299.370 3.650 20 0 CHADMN CC(C)[C@@H](NCc1ccc2c(n1)CCCC2)c1cccnc1 ZINC000447574186 330870638 /nfs/dbraw/zinc/87/06/38/330870638.db2.gz UVJZFNBZBJVOLW-LJQANCHMSA-N 0 1 295.430 3.842 20 0 CHADMN CC(C)CC[C@](C)(O)CNCc1ncc(C(C)(C)C)s1 ZINC000447928600 330880224 /nfs/dbraw/zinc/88/02/24/330880224.db2.gz HVHONRNIDYARGU-INIZCTEOSA-N 0 1 298.496 3.717 20 0 CHADMN CC(C)CC[C@@](C)(O)CNCc1ncc(C(C)(C)C)s1 ZINC000447928601 330880228 /nfs/dbraw/zinc/88/02/28/330880228.db2.gz HVHONRNIDYARGU-MRXNPFEDSA-N 0 1 298.496 3.717 20 0 CHADMN CC(C)CC1(c2nc(-c3ccn4cncc4c3)no2)CCC1 ZINC000447951023 330881036 /nfs/dbraw/zinc/88/10/36/330881036.db2.gz AQGLTKKDHNXIIT-UHFFFAOYSA-N 0 1 296.374 3.852 20 0 CHADMN c1cc(CNC2(c3ccccc3)CC2)n(C2CCCC2)n1 ZINC000449119802 330900068 /nfs/dbraw/zinc/90/00/68/330900068.db2.gz BADRFTNNAQKDFN-UHFFFAOYSA-N 0 1 281.403 3.777 20 0 CHADMN COc1cc(C)ccc1CNC1(c2ccccc2)CC1 ZINC000449125016 330900494 /nfs/dbraw/zinc/90/04/94/330900494.db2.gz RJTYYBWBRZNKFC-UHFFFAOYSA-N 0 1 267.372 3.783 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccncc1F)[C@H](C)C2 ZINC000449230795 330907837 /nfs/dbraw/zinc/90/78/37/330907837.db2.gz MHZWPQWWPRITEV-PXAZEXFGSA-N 0 1 270.351 3.552 20 0 CHADMN c1ccc(-c2cnc(CN[C@@H]3CCCC34CCC4)nc2)cc1 ZINC000449250577 330909800 /nfs/dbraw/zinc/90/98/00/330909800.db2.gz OFCMNWXKSUVISS-QGZVFWFLSA-N 0 1 293.414 3.956 20 0 CHADMN C[C@@H](CC(C)(C)C)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000449275888 330911269 /nfs/dbraw/zinc/91/12/69/330911269.db2.gz ABFJNJDVQCRYQD-QWRGUYRKSA-N 0 1 267.417 3.842 20 0 CHADMN C[C@H](CC(C)(C)C)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000449275887 330911317 /nfs/dbraw/zinc/91/13/17/330911317.db2.gz ABFJNJDVQCRYQD-MNOVXSKESA-N 0 1 267.417 3.842 20 0 CHADMN C[C@H](Cc1ccoc1)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000449333949 330915536 /nfs/dbraw/zinc/91/55/36/330915536.db2.gz CTEGZRPOXONVCC-QMTHXVAHSA-N 0 1 293.313 3.602 20 0 CHADMN CC(C)C[C@H](CNC(CF)CF)c1ccccc1 ZINC000449382713 330921120 /nfs/dbraw/zinc/92/11/20/330921120.db2.gz YBOFWLMZYNMEGG-CQSZACIVSA-N 0 1 255.352 3.714 20 0 CHADMN CCc1ccc(CN[C@@H]2C[C@@H](C)Oc3ccccc32)cn1 ZINC000449424997 330924574 /nfs/dbraw/zinc/92/45/74/330924574.db2.gz LPNUTHBJYYZJIM-CXAGYDPISA-N 0 1 282.387 3.646 20 0 CHADMN CC/C=C\CNCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000449454831 330927133 /nfs/dbraw/zinc/92/71/33/330927133.db2.gz KHNLZSRCENGECM-PLNGDYQASA-N 0 1 297.324 3.648 20 0 CHADMN COc1cccc(Cl)c1CN1CCC(CF)CC1 ZINC000449455113 330927222 /nfs/dbraw/zinc/92/72/22/330927222.db2.gz KRKFWCILUSFWCO-UHFFFAOYSA-N 0 1 271.763 3.530 20 0 CHADMN CCCCOc1ccccc1CNCc1cnccc1C ZINC000449524940 330933976 /nfs/dbraw/zinc/93/39/76/330933976.db2.gz PSXTXIRXMKLEQR-UHFFFAOYSA-N 0 1 284.403 3.859 20 0 CHADMN CC[C@@H](NCc1csc(-c2cccs2)n1)[C@@H](O)CC ZINC000449638763 330941598 /nfs/dbraw/zinc/94/15/98/330941598.db2.gz LYPKXTREBVZIDU-NEPJUHHUSA-N 0 1 296.461 3.511 20 0 CHADMN CCn1cc([C@@H](C)NCc2cc(C)cc(Cl)c2)cn1 ZINC000449677070 330943308 /nfs/dbraw/zinc/94/33/08/330943308.db2.gz LKFPZXWZEMRAJZ-GFCCVEGCSA-N 0 1 277.799 3.716 20 0 CHADMN CC(C)(C)C[C@@H](NCc1cnns1)c1ccc(F)cc1 ZINC000450661136 330991904 /nfs/dbraw/zinc/99/19/04/330991904.db2.gz DBIOQLJONNVZPO-CQSZACIVSA-N 0 1 293.411 3.944 20 0 CHADMN Cc1nccc(N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1Cl ZINC000450674919 330992739 /nfs/dbraw/zinc/99/27/39/330992739.db2.gz CLVHVZVCWPGBEJ-GZBFAFLISA-N 0 1 294.826 3.563 20 0 CHADMN CCCC[C@@H]1CCC[C@@H]1N[C@@H](C)c1csnn1 ZINC000450731213 330996744 /nfs/dbraw/zinc/99/67/44/330996744.db2.gz XLNBWWMWWOFYFD-TUAOUCFPSA-N 0 1 253.415 3.548 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1NCc1nnc(C(C)C)s1 ZINC000450769962 330999151 /nfs/dbraw/zinc/99/91/51/330999151.db2.gz YFDHNXSGPSEEBR-NWDGAFQWSA-N 0 1 299.509 3.815 20 0 CHADMN COc1cc(CN2CCS[C@H](C)CC2)ccc1Cl ZINC000450849441 331002745 /nfs/dbraw/zinc/00/27/45/331002745.db2.gz URNOCURTANMAQJ-LLVKDONJSA-N 0 1 285.840 3.676 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)N([C@H](C)c3csnn3)C2)cc1 ZINC000450873356 331004119 /nfs/dbraw/zinc/00/41/19/331004119.db2.gz JXWSSOVZDVMPRL-GZBFAFLISA-N 0 1 287.432 3.786 20 0 CHADMN CCn1ccnc1[C@H]1CCCCN1C[C@H]1CCC(F)(F)C1 ZINC000450917730 331007162 /nfs/dbraw/zinc/00/71/62/331007162.db2.gz UHIRQYYVDZMJOB-UONOGXRCSA-N 0 1 297.393 3.865 20 0 CHADMN C[C@@H](SCc1c[nH]nn1)c1cccc(Br)c1 ZINC000450963002 331009021 /nfs/dbraw/zinc/00/90/21/331009021.db2.gz CLMUGUAQEVXVLQ-MRVPVSSYSA-N 0 1 298.209 3.562 20 0 CHADMN Cn1nccc1C1=CC[N@@H+](CC/C=C\c2ccccc2)CC1 ZINC000450969690 331009258 /nfs/dbraw/zinc/00/92/58/331009258.db2.gz CFMKFNMWDUFUFA-UITAMQMPSA-N 0 1 293.414 3.613 20 0 CHADMN CCSCCN1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000451014630 331011748 /nfs/dbraw/zinc/01/17/48/331011748.db2.gz JNIBMJWKILCFSS-OAHLLOKOSA-N 0 1 289.448 3.761 20 0 CHADMN CCSCCN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451014630 331011749 /nfs/dbraw/zinc/01/17/49/331011749.db2.gz JNIBMJWKILCFSS-OAHLLOKOSA-N 0 1 289.448 3.761 20 0 CHADMN Cc1ccc2[nH]c([C@@H]3CCCN3C[C@@H]3CC[C@@H](C)O3)nc2c1 ZINC000451020457 331012084 /nfs/dbraw/zinc/01/20/84/331012084.db2.gz ZYHZSFUSXVLDLP-KEYYUXOJSA-N 0 1 299.418 3.576 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C[C@@H]3CC[C@@H](C)O3)[nH]c2c1 ZINC000451020457 331012085 /nfs/dbraw/zinc/01/20/85/331012085.db2.gz ZYHZSFUSXVLDLP-KEYYUXOJSA-N 0 1 299.418 3.576 20 0 CHADMN CCCc1nc(C)c(CN2CCC=C(c3cccnc3)C2)o1 ZINC000451028255 331012483 /nfs/dbraw/zinc/01/24/83/331012483.db2.gz RLFPFPIPXGKEDK-UHFFFAOYSA-N 0 1 297.402 3.620 20 0 CHADMN CC[C@H]1CCC[C@@H]1C(=O)Nc1cc2cn[nH]c2cc1C ZINC000451131052 331016796 /nfs/dbraw/zinc/01/67/96/331016796.db2.gz RNARKAMFGCKOIW-AAEUAGOBSA-N 0 1 271.364 3.636 20 0 CHADMN CC(C)C[C@]1(C)CCCN1Cc1nnc(C2CC2)s1 ZINC000451287575 331023255 /nfs/dbraw/zinc/02/32/55/331023255.db2.gz GPYXXGQNMYCRJJ-HNNXBMFYSA-N 0 1 279.453 3.816 20 0 CHADMN CCO[C@@H](C)c1noc(CN2CCC[C@]2(C)CC(C)C)n1 ZINC000451294294 331023550 /nfs/dbraw/zinc/02/35/50/331023550.db2.gz XHZAGPLRNKSRMT-XJKSGUPXSA-N 0 1 295.427 3.568 20 0 CHADMN CCO[C@H](C)c1noc(CN2CCC[C@]2(C)CC(C)C)n1 ZINC000451294293 331023559 /nfs/dbraw/zinc/02/35/59/331023559.db2.gz XHZAGPLRNKSRMT-CZUORRHYSA-N 0 1 295.427 3.568 20 0 CHADMN CCC[C@@H](NCc1nc(CC(C)C)no1)C(C)(C)C ZINC000451428160 331029161 /nfs/dbraw/zinc/02/91/61/331029161.db2.gz XRTPMGNXSBMTNW-GFCCVEGCSA-N 0 1 267.417 3.573 20 0 CHADMN CCO[C@@H]1CCN([C@H](C)c2nc3ccccc3o2)C[C@@H]1C ZINC000451522449 331032450 /nfs/dbraw/zinc/03/24/50/331032450.db2.gz BFBDDXGLEFTCGF-GZBFAFLISA-N 0 1 288.391 3.636 20 0 CHADMN CCO[C@@H]1CCN([C@@H](C)c2cc(F)ccc2F)C[C@H]1C ZINC000451542240 331033342 /nfs/dbraw/zinc/03/33/42/331033342.db2.gz NBRZRXQQZMRTMU-BFQNTYOBSA-N 0 1 283.362 3.773 20 0 CHADMN CO[C@@H]1CCN([C@H](C)c2ccc(F)c(Cl)c2)C[C@H]1C ZINC000451551662 331034045 /nfs/dbraw/zinc/03/40/45/331034045.db2.gz WRTCWWLXWCNIAM-UEKVPHQBSA-N 0 1 285.790 3.897 20 0 CHADMN CO[C@@H]1CCN([C@@H](C)c2cccc(Cl)c2F)C[C@@H]1C ZINC000451575151 331035050 /nfs/dbraw/zinc/03/50/50/331035050.db2.gz SDGOUBXTNQQQBZ-COPLHBTASA-N 0 1 285.790 3.897 20 0 CHADMN CCOC(=O)CCCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451847116 331044592 /nfs/dbraw/zinc/04/45/92/331044592.db2.gz XTFNDBCPJXXOMF-INIZCTEOSA-N 0 1 291.391 3.540 20 0 CHADMN Cc1noc(C)c1CCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451854536 331044908 /nfs/dbraw/zinc/04/49/08/331044908.db2.gz NLBJCQCBYZKOMV-MRXNPFEDSA-N 0 1 286.375 3.654 20 0 CHADMN c1ccc2[nH]c([C@@H]3CCCCN3CC[C@@H]3CCCO3)nc2c1 ZINC000451876175 331045821 /nfs/dbraw/zinc/04/58/21/331045821.db2.gz DYCCLYIVAUPKCL-YOEHRIQHSA-N 0 1 299.418 3.659 20 0 CHADMN CC[C@@H](F)CN[C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451919282 331047345 /nfs/dbraw/zinc/04/73/45/331047345.db2.gz ZVBPSQUQPCDQBO-CHWSQXEVSA-N 0 1 294.197 3.539 20 0 CHADMN Fc1ccc([C@@H]2CCCN2CCc2cscn2)c(F)c1 ZINC000451972702 331049085 /nfs/dbraw/zinc/04/90/85/331049085.db2.gz OYUIVPYYIDARFM-HNNXBMFYSA-N 0 1 294.370 3.801 20 0 CHADMN Cc1sc(NC(=O)CN2[C@@H](C)CCC2(C)C)c(C)c1C ZINC000452009984 331050372 /nfs/dbraw/zinc/05/03/72/331050372.db2.gz QDQFFARKZYQALT-JTQLQIEISA-N 0 1 294.464 3.875 20 0 CHADMN CC(C)c1nnc(CN2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)s1 ZINC000452042790 331051852 /nfs/dbraw/zinc/05/18/52/331051852.db2.gz FUOLOZMLYOVBQI-OQMKEHIESA-N 0 1 291.464 3.530 20 0 CHADMN C[C@H](NCc1ncc(C2CC2)o1)[C@@H]1CCC[C@H](C)C1 ZINC000452063126 331052643 /nfs/dbraw/zinc/05/26/43/331052643.db2.gz VNUQHMHLRFRQMD-SGMGOOAPSA-N 0 1 262.397 3.856 20 0 CHADMN CCCCc1nc(CN2CCC[C@@H](COC)CC2)cs1 ZINC000452085852 331053377 /nfs/dbraw/zinc/05/33/77/331053377.db2.gz OGQADZDDVXDEGA-CQSZACIVSA-N 0 1 296.480 3.734 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cccc(O)c1)c1c(C)noc1C ZINC000194938621 331080111 /nfs/dbraw/zinc/08/01/11/331080111.db2.gz XAMMOGAGSZMUMD-ZUZCIYMTSA-N 0 1 274.364 3.799 20 0 CHADMN CC[C@@H](c1nc(-c2cccc3ccccc32)no1)N(C)C ZINC000453015748 331083606 /nfs/dbraw/zinc/08/36/06/331083606.db2.gz AGBHZTGYMBUEGO-HNNXBMFYSA-N 0 1 281.359 3.903 20 0 CHADMN CC(C)c1nc([C@H](C)NC2CC(C)(F)C2)cs1 ZINC000453235402 331105090 /nfs/dbraw/zinc/10/50/90/331105090.db2.gz KFZGBKUROVVWED-JBLZRFIASA-N 0 1 256.390 3.808 20 0 CHADMN CC(C)C[C@H](N[C@@H](C)c1ccncn1)c1cccs1 ZINC000453100582 331089059 /nfs/dbraw/zinc/08/90/59/331089059.db2.gz ZUXFJGOHMNXIRO-JSGCOSHPSA-N 0 1 275.421 3.976 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)C1CCC1)c1ccncn1 ZINC000453104167 331089485 /nfs/dbraw/zinc/08/94/85/331089485.db2.gz DULCUXUHUSUBPT-CXAGYDPISA-N 0 1 267.376 3.669 20 0 CHADMN CC[C@H](NCc1ccc(Cl)cc1OC)c1ccncc1 ZINC000453112108 331090218 /nfs/dbraw/zinc/09/02/18/331090218.db2.gz PNGNQTYKEFTVHM-HNNXBMFYSA-N 0 1 290.794 3.985 20 0 CHADMN CO[C@@H]1C[C@@H](N[C@H](C)c2csc(C(C)C)n2)C12CCC2 ZINC000453138216 331093096 /nfs/dbraw/zinc/09/30/96/331093096.db2.gz HEGWJLNHEHVMIS-MRVWCRGKSA-N 0 1 294.464 3.875 20 0 CHADMN C[C@@H](N[C@@H](C)Cc1cnccn1)c1c(F)cccc1Cl ZINC000453151637 331094622 /nfs/dbraw/zinc/09/46/22/331094622.db2.gz NOWQJMSGCWMRAJ-WDEREUQCSA-N 0 1 293.773 3.551 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H](C)c2ccccc21)c1ccncn1 ZINC000453161279 331095645 /nfs/dbraw/zinc/09/56/45/331095645.db2.gz AHQDESIRYPMFLT-IGCXYCKISA-N 0 1 267.376 3.766 20 0 CHADMN Cc1cc([C@@H](N[C@H](C)c2ccncn2)C2CC2)ccc1F ZINC000453178335 331097611 /nfs/dbraw/zinc/09/76/11/331097611.db2.gz OCKNXZBKHQANAE-PXAZEXFGSA-N 0 1 285.366 3.726 20 0 CHADMN CC[C@@H](NC1(c2ccc3c(c2)OCO3)CC1)c1ccncc1 ZINC000453177996 331097643 /nfs/dbraw/zinc/09/76/43/331097643.db2.gz UJGIFINJPINHLG-OAHLLOKOSA-N 0 1 296.370 3.540 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](N[C@H](C)c1ccncn1)CC2 ZINC000453193499 331099732 /nfs/dbraw/zinc/09/97/32/331099732.db2.gz FHOJBZXGMVZLDD-FZKQIMNGSA-N 0 1 281.403 3.938 20 0 CHADMN Cc1cc([C@H](C)NC[C@H]2CSc3ccccc32)no1 ZINC000453215160 331102443 /nfs/dbraw/zinc/10/24/43/331102443.db2.gz FQLCYXHGEBSPFQ-RYUDHWBXSA-N 0 1 274.389 3.523 20 0 CHADMN CCC[C@@H](CN[C@@H](C)c1nc(C(F)(F)F)cs1)OC ZINC000453239708 331105804 /nfs/dbraw/zinc/10/58/04/331105804.db2.gz BHJYWVWVEIMYGG-IUCAKERBSA-N 0 1 296.358 3.628 20 0 CHADMN c1ccc([C@H](NCC2=CCCCC2)c2cncnc2)cc1 ZINC000453244609 331106668 /nfs/dbraw/zinc/10/66/68/331106668.db2.gz HITFWZCOHDOTHT-SFHVURJKSA-N 0 1 279.387 3.656 20 0 CHADMN c1ccc([C@@H](NCC2=CCCCC2)c2cncnc2)cc1 ZINC000453244605 331106753 /nfs/dbraw/zinc/10/67/53/331106753.db2.gz HITFWZCOHDOTHT-GOSISDBHSA-N 0 1 279.387 3.656 20 0 CHADMN C[C@H](N[C@@H](C)C(C)(F)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000453283900 331110899 /nfs/dbraw/zinc/11/08/99/331110899.db2.gz ITURVLCMUGAKRY-IMIFBBOLSA-N 0 1 253.336 3.812 20 0 CHADMN CC[C@@H]1CCC[C@@H]1CN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000453291180 331111890 /nfs/dbraw/zinc/11/18/90/331111890.db2.gz SKNPUUUVUDXETA-DJIMGWMZSA-N 0 1 283.419 3.915 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cnn(C3CCCC3)c2)ccn1 ZINC000453300011 331112955 /nfs/dbraw/zinc/11/29/55/331112955.db2.gz WRBQWKUHHLWABI-AWEZNQCLSA-N 0 1 284.407 3.552 20 0 CHADMN Cc1ccc([C@H](NCc2ccnc(C)c2)C2CCC2)o1 ZINC000453301546 331113255 /nfs/dbraw/zinc/11/32/55/331113255.db2.gz YZMDVOAXPKQECC-QGZVFWFLSA-N 0 1 270.376 3.922 20 0 CHADMN CC[C@@H](NCc1cnc(C2CC2)o1)c1cccs1 ZINC000453344269 331119574 /nfs/dbraw/zinc/11/95/74/331119574.db2.gz GYCQUSUMMDWKKP-GFCCVEGCSA-N 0 1 262.378 3.854 20 0 CHADMN COc1cccnc1CN[C@H]1CC(C)(C)c2ccccc21 ZINC000453346221 331120083 /nfs/dbraw/zinc/12/00/83/331120083.db2.gz AXLCQVZMFFQXDG-HNNXBMFYSA-N 0 1 282.387 3.602 20 0 CHADMN C[C@@H]1C[C@H](NCc2cnc(C3CC3)o2)c2ccccc21 ZINC000453357708 331121901 /nfs/dbraw/zinc/12/19/01/331121901.db2.gz NNFGZVVXMBYNAU-BZNIZROVSA-N 0 1 268.360 3.890 20 0 CHADMN CCc1ncc(CN[C@@H](CC)c2cccs2)o1 ZINC000453363159 331122912 /nfs/dbraw/zinc/12/29/12/331122912.db2.gz KVPBJVOJYMRFHN-NSHDSACASA-N 0 1 250.367 3.539 20 0 CHADMN CCC[C@@H](NCc1cnc(CC)o1)c1ccc(OC)cc1 ZINC000453388940 331127084 /nfs/dbraw/zinc/12/70/84/331127084.db2.gz XIDULTBEZGLECF-MRXNPFEDSA-N 0 1 288.391 3.877 20 0 CHADMN CCO[C@@H]1CCC[C@H]1N[C@H](C)c1nc2c(s1)CCCC2 ZINC000453393624 331127548 /nfs/dbraw/zinc/12/75/48/331127548.db2.gz FISANSINWJCITP-YRGRVCCFSA-N 0 1 294.464 3.630 20 0 CHADMN CC[C@]1(C(C)C)C[C@@H]1N[C@H](C)c1csc(C)n1 ZINC000453425762 331131019 /nfs/dbraw/zinc/13/10/19/331131019.db2.gz NSNCMBJUFJQSRU-DDTOSNHZSA-N 0 1 252.427 3.927 20 0 CHADMN Cc1ccoc1CN[C@H](c1ccccc1)C1(CO)CCCC1 ZINC000453596352 331135519 /nfs/dbraw/zinc/13/55/19/331135519.db2.gz AGMHGOGZNZBWOQ-GOSISDBHSA-N 0 1 299.414 3.972 20 0 CHADMN Cc1cc(Br)c(CN[C@H]2CCC[C@H]2F)s1 ZINC000453598927 331135749 /nfs/dbraw/zinc/13/57/49/331135749.db2.gz OVGJFEXASQMRPK-ZJUUUORDSA-N 0 1 292.217 3.799 20 0 CHADMN CCC1CN(Cc2ccc(Cl)c3cccnc23)C1 ZINC000453606718 331136106 /nfs/dbraw/zinc/13/61/06/331136106.db2.gz QUNDVVFTOBXHOI-UHFFFAOYSA-N 0 1 260.768 3.730 20 0 CHADMN CC[C@]1(C(C)C)C[C@H]1NCc1ncc(Cl)s1 ZINC000453616015 331136646 /nfs/dbraw/zinc/13/66/46/331136646.db2.gz RFKZUGYRPXJQER-BXKDBHETSA-N 0 1 258.818 3.711 20 0 CHADMN CCCn1cc(CN2Cc3sccc3CC2(C)C)cn1 ZINC000453624552 331137087 /nfs/dbraw/zinc/13/70/87/331137087.db2.gz QQDFIQOEIOTZLK-UHFFFAOYSA-N 0 1 289.448 3.692 20 0 CHADMN C[C@@H](NCc1nc(Cc2ccccc2)no1)C1CCCCC1 ZINC000195253632 331162467 /nfs/dbraw/zinc/16/24/67/331162467.db2.gz PICIDAHEPRNYGL-CQSZACIVSA-N 0 1 299.418 3.719 20 0 CHADMN CCC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000455654170 331174812 /nfs/dbraw/zinc/17/48/12/331174812.db2.gz JNFIXRSGRMTVDT-OAHLLOKOSA-N 0 1 275.392 3.785 20 0 CHADMN Cc1[nH]ncc1C(=O)N(CC(C)C)c1cccc(Cl)c1 ZINC000456806001 331204489 /nfs/dbraw/zinc/20/44/89/331204489.db2.gz XFFACHHAGVTLSX-UHFFFAOYSA-N 0 1 291.782 3.674 20 0 CHADMN C[C@H](CC(F)(F)F)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000457730084 331232597 /nfs/dbraw/zinc/23/25/97/331232597.db2.gz HWHUMZUZRMDAME-RXMQYKEDSA-N 0 1 299.651 3.712 20 0 CHADMN CC[C@H](CC1CCCC1)C(=O)NCc1ccc2cncn2c1 ZINC000457977004 331238432 /nfs/dbraw/zinc/23/84/32/331238432.db2.gz QBKGONPLLDEZEY-MRXNPFEDSA-N 0 1 299.418 3.557 20 0 CHADMN Cc1nc(CN(C)CC2CCC(F)(F)CC2)cs1 ZINC000459331915 331276644 /nfs/dbraw/zinc/27/66/44/331276644.db2.gz USZBBVFULDTMBK-UHFFFAOYSA-N 0 1 274.380 3.709 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@@H]2C[C@H](C)O)c(Cl)c1 ZINC000459348927 331277540 /nfs/dbraw/zinc/27/75/40/331277540.db2.gz RHJCGCRJPWUNAT-NWDGAFQWSA-N 0 1 285.790 3.523 20 0 CHADMN COC[C@@H]1CCCN(Cc2c(F)cc(C)cc2Cl)C1 ZINC000459357666 331277931 /nfs/dbraw/zinc/27/79/31/331277931.db2.gz WAYUBAWOZHJWOY-GFCCVEGCSA-N 0 1 285.790 3.646 20 0 CHADMN CC(C)OC1CC([N@H+]2CCC[C@H](Nc3ccccc3)C2)C1 ZINC000459365821 331278311 /nfs/dbraw/zinc/27/83/11/331278311.db2.gz MLFQARCNYDOZIG-AOCRQIFASA-N 0 1 288.435 3.519 20 0 CHADMN Clc1cnn(CCN2CCCCC[C@@H]2c2ccco2)c1 ZINC000459380918 331279262 /nfs/dbraw/zinc/27/92/62/331279262.db2.gz UJIPRWIDAYGRTI-CQSZACIVSA-N 0 1 293.798 3.747 20 0 CHADMN Cc1cc(F)c(CNCCc2nccs2)c(Cl)c1 ZINC000459385154 331279456 /nfs/dbraw/zinc/27/94/56/331279456.db2.gz FVOLHVWMFKRQGA-UHFFFAOYSA-N 0 1 284.787 3.576 20 0 CHADMN CC[C@H](CNCc1cc(C)on1)Oc1ccccc1Cl ZINC000459439270 331281362 /nfs/dbraw/zinc/28/13/62/331281362.db2.gz MVXDOSHXRRHCCK-CYBMUJFWSA-N 0 1 294.782 3.584 20 0 CHADMN CN1Cc2ccc(NC[C@@H]3C[C@H]3c3ccccc3)cc2C1 ZINC000459457259 331282403 /nfs/dbraw/zinc/28/24/03/331282403.db2.gz GKCQXRFVNZRHBW-LPHOPBHVSA-N 0 1 278.399 3.848 20 0 CHADMN Cc1ccoc1C[N@@H+](C)CC1CCC(F)(F)CC1 ZINC000459490237 331284795 /nfs/dbraw/zinc/28/47/95/331284795.db2.gz LCGVZWGEWQUIRF-UHFFFAOYSA-N 0 1 257.324 3.845 20 0 CHADMN CCC1(CC)CCC(NCc2cc(COC)on2)CC1 ZINC000459497687 331284962 /nfs/dbraw/zinc/28/49/62/331284962.db2.gz TVAIVIPSNLYRJJ-UHFFFAOYSA-N 0 1 280.412 3.660 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1cnc(C2CC2)nc1 ZINC000459502311 331285179 /nfs/dbraw/zinc/28/51/79/331285179.db2.gz GLBWKQHQEHUXFH-GDNBJRDFSA-N 0 1 293.414 3.889 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1cnc(C2CC2)nc1 ZINC000459533172 331286381 /nfs/dbraw/zinc/28/63/81/331286381.db2.gz PGVGILZVAYQYJG-GFCCVEGCSA-N 0 1 299.443 3.927 20 0 CHADMN CSCc1ccc(CNCc2cnc(C3CC3)nc2)cc1 ZINC000459553638 331287418 /nfs/dbraw/zinc/28/74/18/331287418.db2.gz YWGGXWWVFYLZNT-UHFFFAOYSA-N 0 1 299.443 3.507 20 0 CHADMN Nc1cc(CN2CC3(CCCC3)[C@@H]2c2ccccc2)ccn1 ZINC000459589329 331289556 /nfs/dbraw/zinc/28/95/56/331289556.db2.gz YGAVAXQMTYNQBO-SFHVURJKSA-N 0 1 293.414 3.611 20 0 CHADMN CCC1(CC)CN(Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000459593981 331289820 /nfs/dbraw/zinc/28/98/20/331289820.db2.gz JTZQCRFSNXRRLK-UHFFFAOYSA-N 0 1 273.380 3.600 20 0 CHADMN COCCC1(C)CN(Cc2cccc(OCC(C)C)c2)C1 ZINC000459629872 331291220 /nfs/dbraw/zinc/29/12/20/331291220.db2.gz FSLXHOHEKKDNDH-UHFFFAOYSA-N 0 1 291.435 3.580 20 0 CHADMN CCC1(C)CN(Cc2ccccc2OCc2ccccn2)C1 ZINC000459634383 331291300 /nfs/dbraw/zinc/29/13/00/331291300.db2.gz MRBYVUNMPXLPIK-UHFFFAOYSA-N 0 1 296.414 3.893 20 0 CHADMN Cc1ccc(NC(=O)CN(C)C2CC(C)(C)C2)c(Cl)c1 ZINC000459748421 331298100 /nfs/dbraw/zinc/29/81/00/331298100.db2.gz WXEKQEJZDCCGBO-UHFFFAOYSA-N 0 1 294.826 3.707 20 0 CHADMN Cc1nc(CN(C)[C@@H](C)Cc2cccc(F)c2)c(C)s1 ZINC000459760175 331299026 /nfs/dbraw/zinc/29/90/26/331299026.db2.gz JTDJQAYAMAEXRH-NSHDSACASA-N 0 1 292.423 3.962 20 0 CHADMN C[C@H](N[C@H]1CCC(C)(C)c2ccccc21)c1ccn(C)n1 ZINC000459788431 331301086 /nfs/dbraw/zinc/30/10/86/331301086.db2.gz LPMOBSRBLVSUCV-GUYCJALGSA-N 0 1 283.419 3.883 20 0 CHADMN Cc1cc([C@@H](C)NCCc2ccc(Cl)c(C)c2)no1 ZINC000462803832 331329220 /nfs/dbraw/zinc/32/92/20/331329220.db2.gz RJWFGYPZOKGRDB-GFCCVEGCSA-N 0 1 278.783 3.838 20 0 CHADMN CO[C@@H](C)CN[C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000462806325 331330087 /nfs/dbraw/zinc/33/00/87/331330087.db2.gz WJJMCPBZGOWXMY-QWRGUYRKSA-N 0 1 294.395 3.635 20 0 CHADMN C[C@H](NCCOCC1CCC1)c1ccc(F)cc1Cl ZINC000462847955 331332524 /nfs/dbraw/zinc/33/25/24/331332524.db2.gz KJNFLEABADVULL-NSHDSACASA-N 0 1 285.790 3.946 20 0 CHADMN CCc1ccccc1CN=c1nc(-c2ccccc2)[nH]s1 ZINC000462849776 331332704 /nfs/dbraw/zinc/33/27/04/331332704.db2.gz DHGCAFUJEMYFKN-UHFFFAOYSA-N 0 1 295.411 3.802 20 0 CHADMN CCCC[C@@H](C)C(=O)Nc1cc(C(=O)CC)ccc1O ZINC000462935738 331335339 /nfs/dbraw/zinc/33/53/39/331335339.db2.gz QBQPYKDWRACBCC-LLVKDONJSA-N 0 1 277.364 3.750 20 0 CHADMN CC(C)[C@H]1CCN(Cc2cncc(C(F)(F)F)c2)C1 ZINC000463101854 331340194 /nfs/dbraw/zinc/34/01/94/331340194.db2.gz LZWPUAUGBCGWQU-LBPRGKRZSA-N 0 1 272.314 3.578 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2cncc(C(F)(F)F)c2)C1 ZINC000463196674 331341934 /nfs/dbraw/zinc/34/19/34/331341934.db2.gz FLLDPVCHKRJIRJ-ZDUSSCGKSA-N 0 1 286.341 3.968 20 0 CHADMN C[C@H]1CN(Cc2nnc(-c3ccccc3)s2)C(C)(C)C1 ZINC000464675559 331364584 /nfs/dbraw/zinc/36/45/84/331364584.db2.gz BCQFCYWEVUVNSK-GFCCVEGCSA-N 0 1 287.432 3.826 20 0 CHADMN CCN(C(=O)CN1CCC[C@@](C)(CC)C1)c1ccccc1 ZINC000464777810 331367656 /nfs/dbraw/zinc/36/76/56/331367656.db2.gz PIUYGBQKHJOODH-GOSISDBHSA-N 0 1 288.435 3.552 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000464814811 331369320 /nfs/dbraw/zinc/36/93/20/331369320.db2.gz RCBYAAZRPXBNIU-VXGBXAGGSA-N 0 1 295.810 3.732 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000464814808 331369328 /nfs/dbraw/zinc/36/93/28/331369328.db2.gz RCBYAAZRPXBNIU-NEPJUHHUSA-N 0 1 295.810 3.732 20 0 CHADMN CC[C@H]1C[C@H](C)CN1C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000465299036 331381956 /nfs/dbraw/zinc/38/19/56/331381956.db2.gz RQLFUPOYYZLJHW-ZFWWWQNUSA-N 0 1 297.402 3.646 20 0 CHADMN Cc1cccc(CN[C@@H]2COc3ccc(F)cc32)c1C ZINC000466446390 331397370 /nfs/dbraw/zinc/39/73/70/331397370.db2.gz PRHUMGLHERMKBA-MRXNPFEDSA-N 0 1 271.335 3.666 20 0 CHADMN FC(F)(F)C1CCC(CNc2ccc3nn[nH]c3c2)CC1 ZINC000466466572 331397810 /nfs/dbraw/zinc/39/78/10/331397810.db2.gz SBDSWECBNZMJFP-UHFFFAOYSA-N 0 1 298.312 3.739 20 0 CHADMN FC(F)(F)C1CCC(CNc2ccc3n[nH]nc3c2)CC1 ZINC000466466572 331397811 /nfs/dbraw/zinc/39/78/11/331397811.db2.gz SBDSWECBNZMJFP-UHFFFAOYSA-N 0 1 298.312 3.739 20 0 CHADMN CCc1ccc(-c2noc(CN3[C@H](C)CC[C@H]3C)n2)cc1 ZINC000466675895 331402194 /nfs/dbraw/zinc/40/21/94/331402194.db2.gz CSSYFAXBWIWZDS-CHWSQXEVSA-N 0 1 285.391 3.672 20 0 CHADMN CCc1ccc(-c2noc(CN[C@@H]3CCCC3(C)C)n2)cc1 ZINC000472610089 331540176 /nfs/dbraw/zinc/54/01/76/331540176.db2.gz IAQHSLCVUICHKE-OAHLLOKOSA-N 0 1 299.418 3.967 20 0 CHADMN C[C@@H](CNCc1cccc(Cl)c1F)C(F)(F)F ZINC000479579451 331738889 /nfs/dbraw/zinc/73/88/89/331738889.db2.gz NKTLDRCUPCAXAP-ZETCQYMHSA-N 0 1 269.669 3.767 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CC[C@@H](C)[C@H]1C ZINC000480061785 331756358 /nfs/dbraw/zinc/75/63/58/331756358.db2.gz NWTVQEGZSAXKHS-GHMZBOCLSA-N 0 1 274.339 3.617 20 0 CHADMN CC[C@H](CSC)Nc1ccnc2cc(F)c(OC)cc21 ZINC000480089551 331757715 /nfs/dbraw/zinc/75/77/15/331757715.db2.gz COWCQALCRAYDSQ-SNVBAGLBSA-N 0 1 294.395 3.936 20 0 CHADMN CCc1nc(CN[C@H]2CS[C@H](C(C)(C)C)C2)cs1 ZINC000488410036 332005091 /nfs/dbraw/zinc/00/50/91/332005091.db2.gz HQCVMYQKFRGRBE-PWSUYJOCSA-N 0 1 284.494 3.715 20 0 CHADMN CC(C)[C@@H]1C[C@H](NCc2ccn(C3CCCC3)n2)CS1 ZINC000488414790 332005547 /nfs/dbraw/zinc/00/55/47/332005547.db2.gz RGBDRLKHKWMPPX-HOCLYGCPSA-N 0 1 293.480 3.618 20 0 CHADMN COc1cc2c(cc1F)nccc2NCC1CC(F)(F)C1 ZINC000488458025 332011220 /nfs/dbraw/zinc/01/12/20/332011220.db2.gz DFELMXHCBCZFTC-UHFFFAOYSA-N 0 1 296.292 3.840 20 0 CHADMN COCc1ccc(CN(C)Cc2ccc(F)cc2C)o1 ZINC000488540690 332016366 /nfs/dbraw/zinc/01/63/66/332016366.db2.gz GXTFJVOPLKTBSZ-UHFFFAOYSA-N 0 1 277.339 3.506 20 0 CHADMN CCN(C[C@H]1CCCO1)[C@H](C)c1ccccc1Cl ZINC000488639374 332020620 /nfs/dbraw/zinc/02/06/20/332020620.db2.gz FVVUPNUGKOJMON-CHWSQXEVSA-N 0 1 267.800 3.902 20 0 CHADMN CCCNC(=O)[C@@H](C)N(CC)Cc1ccc2ccccc2c1 ZINC000488764118 332024760 /nfs/dbraw/zinc/02/47/60/332024760.db2.gz UEJKCJZMMQSDIF-OAHLLOKOSA-N 0 1 298.430 3.576 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1cnoc1C ZINC000488775500 332025170 /nfs/dbraw/zinc/02/51/70/332025170.db2.gz LPAUGKKNQNHVPN-QGZVFWFLSA-N 0 1 286.375 3.501 20 0 CHADMN CCC(CC)[C@@H](C)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488885878 332032113 /nfs/dbraw/zinc/03/21/13/332032113.db2.gz GECRRASZHAUWHD-SECBINFHSA-N 0 1 277.343 3.713 20 0 CHADMN CCc1ccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)cc1 ZINC000488891376 332032389 /nfs/dbraw/zinc/03/23/89/332032389.db2.gz FQNWTIRWPMXRNK-UHFFFAOYSA-N 0 1 283.306 3.517 20 0 CHADMN Cc1nc(CN(C)[C@@H](C)Cc2cccc(F)c2)cs1 ZINC000489124576 332042207 /nfs/dbraw/zinc/04/22/07/332042207.db2.gz CZUWVEKTTDKOSY-NSHDSACASA-N 0 1 278.396 3.654 20 0 CHADMN CC(C)CCN(Cc1ncnn1CC(C)C)C1CCCC1 ZINC000489197440 332043214 /nfs/dbraw/zinc/04/32/14/332043214.db2.gz NDRXIKXQSOFGBR-UHFFFAOYSA-N 0 1 292.471 3.725 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C[C@@H](C)CC(C)C)n[nH]1 ZINC000489212818 332043573 /nfs/dbraw/zinc/04/35/73/332043573.db2.gz BEPNCIVVAXVXJP-AVGNSLFASA-N 0 1 294.443 3.568 20 0 CHADMN CN(Cc1cc(-c2ccccc2)no1)[C@H]1CC1(C)C ZINC000489457976 332053856 /nfs/dbraw/zinc/05/38/56/332053856.db2.gz APDLACJPVSISCR-HNNXBMFYSA-N 0 1 256.349 3.572 20 0 CHADMN COC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000490047251 332078409 /nfs/dbraw/zinc/07/84/09/332078409.db2.gz DZGAWMUZDQNEGV-LBPRGKRZSA-N 0 1 295.732 3.912 20 0 CHADMN CCOc1ccc(CN[C@@H](CC)c2ccc(F)cn2)cc1 ZINC000490120820 332082217 /nfs/dbraw/zinc/08/22/17/332082217.db2.gz WKEPMKMPJNQCLE-INIZCTEOSA-N 0 1 288.366 3.860 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2ccoc2C)cc1 ZINC000490452764 332089973 /nfs/dbraw/zinc/08/99/73/332089973.db2.gz RHTSDNVWHMZWBY-GFCCVEGCSA-N 0 1 259.349 3.790 20 0 CHADMN CC(C)(C)c1csc(CN2CC[C@H](C3CC3)C2)n1 ZINC000491143536 332155611 /nfs/dbraw/zinc/15/56/11/332155611.db2.gz VUAKJUCQCLZCBD-LBPRGKRZSA-N 0 1 264.438 3.673 20 0 CHADMN Cc1ccoc1CNCc1cc2c(ccc(C)c2C)[nH]1 ZINC000491488220 332221539 /nfs/dbraw/zinc/22/15/39/332221539.db2.gz VSFIUVOJTXMGOZ-UHFFFAOYSA-N 0 1 268.360 3.976 20 0 CHADMN COC[C@H](NCc1ccc(F)cc1C)c1ccccc1 ZINC000172123437 335095612 /nfs/dbraw/zinc/09/56/12/335095612.db2.gz OHGDUHLUUKPCTP-KRWDZBQOSA-N 0 1 273.351 3.611 20 0 CHADMN C[C@@H]1C[C@H](CN(C)Cc2c(F)cccc2Cl)CCO1 ZINC000491821852 332370967 /nfs/dbraw/zinc/37/09/67/332370967.db2.gz MLBUXOFFFJSCGX-VXGBXAGGSA-N 0 1 285.790 3.726 20 0 CHADMN CCOc1ccc2c(c1)CCN([C@@H](C)c1ccccn1)C2 ZINC000491896899 332374213 /nfs/dbraw/zinc/37/42/13/332374213.db2.gz YGBUZQDQKBZXCW-AWEZNQCLSA-N 0 1 282.387 3.600 20 0 CHADMN CC(C)[C@@H](NC(=O)/C=C\C1CCC1)c1nc2ccccc2[nH]1 ZINC000492090499 332382480 /nfs/dbraw/zinc/38/24/80/332382480.db2.gz BKKNYQMQEQFJJM-QXPKXGMISA-N 0 1 297.402 3.733 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cccc(O)c2OC)cc1 ZINC000493738605 332451955 /nfs/dbraw/zinc/45/19/55/332451955.db2.gz VSJKQTLGCYIXHT-UHFFFAOYSA-N 0 1 299.414 3.988 20 0 CHADMN CCc1nc(CN[C@H](C)[C@@H](OC)c2ccccc2)cs1 ZINC000493946109 332459080 /nfs/dbraw/zinc/45/90/80/332459080.db2.gz XKNBPVSYDXEPPM-MLGOLLRUSA-N 0 1 290.432 3.571 20 0 CHADMN C[C@H]1OCC[C@@]1(C)NCc1csc(C2CCCCC2)n1 ZINC000494206986 332466652 /nfs/dbraw/zinc/46/66/52/332466652.db2.gz AKCOGOCXKZOGLZ-MLGOLLRUSA-N 0 1 294.464 3.848 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1cncc(F)c1 ZINC000494546687 332477660 /nfs/dbraw/zinc/47/76/60/332477660.db2.gz IMYAFNQRVILVBS-OAHLLOKOSA-N 0 1 288.366 3.925 20 0 CHADMN Cc1[nH]c2c(cc(C)cc2CNCc2cncc(F)c2)c1C ZINC000494563020 332478028 /nfs/dbraw/zinc/47/80/28/332478028.db2.gz HGVPVXHXIROHAZ-UHFFFAOYSA-N 0 1 297.377 3.917 20 0 CHADMN CCCc1csc(CN[C@@H]2CCCO[C@H]2CC(C)C)n1 ZINC000494843805 332487587 /nfs/dbraw/zinc/48/75/87/332487587.db2.gz BTESIRMUQKODJG-CABCVRRESA-N 0 1 296.480 3.779 20 0 CHADMN CCCc1csc(CN[C@H](C)CC(F)(F)F)n1 ZINC000494843800 332487654 /nfs/dbraw/zinc/48/76/54/332487654.db2.gz BRJNOLXQDNAMNE-MRVPVSSYSA-N 0 1 266.332 3.526 20 0 CHADMN Cc1cccc(CNC2(C(=O)Nc3ccccc3)CC2)c1C ZINC000495161522 332509400 /nfs/dbraw/zinc/50/94/00/332509400.db2.gz WZCSKBSMYSELSO-UHFFFAOYSA-N 0 1 294.398 3.564 20 0 CHADMN C[C@@H]1C[C@@]1(NCc1cncs1)c1ccc(Cl)cc1 ZINC000500398869 332606021 /nfs/dbraw/zinc/60/60/21/332606021.db2.gz CTKHHIRRKMITIB-YGRLFVJLSA-N 0 1 278.808 3.821 20 0 CHADMN CC(C)OC[C@@H](C)NCc1csc(-c2ccccc2)n1 ZINC000500390864 332606238 /nfs/dbraw/zinc/60/62/38/332606238.db2.gz DEDXFEHEDVRUAS-CYBMUJFWSA-N 0 1 290.432 3.713 20 0 CHADMN C[C@@H]1C[C@]1(NCc1ccco1)c1ccc(Cl)cc1 ZINC000500393330 332606633 /nfs/dbraw/zinc/60/66/33/332606633.db2.gz AZBHXQAVMAWDQE-IAQYHMDHSA-N 0 1 261.752 3.958 20 0 CHADMN COCC1(C)CCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC000500709913 332616419 /nfs/dbraw/zinc/61/64/19/332616419.db2.gz LGOVJDGQZBWNFH-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN CCCC[C@@H](CC)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000501380039 332631418 /nfs/dbraw/zinc/63/14/18/332631418.db2.gz ZDWMVJZYLJVSKR-HIFRSBDPSA-N 0 1 296.480 3.683 20 0 CHADMN CC[C@H]1C[C@]1(NCc1ccc(F)cn1)c1cccc(C)c1 ZINC000502560875 332665683 /nfs/dbraw/zinc/66/56/83/332665683.db2.gz ALTMVCWWURWYMD-KBXCAEBGSA-N 0 1 284.378 3.944 20 0 CHADMN Cc1nccc(N[C@H]2CCCc3c(O)cccc32)c1Cl ZINC000503581104 332693268 /nfs/dbraw/zinc/69/32/68/332693268.db2.gz JHZBLZLBNCKRCO-ZDUSSCGKSA-N 0 1 288.778 3.660 20 0 CHADMN CCN(CC)CC(=O)Nc1cccc(-c2cccs2)c1 ZINC000505860030 332755132 /nfs/dbraw/zinc/75/51/32/332755132.db2.gz FKXWDBQFEHKKQU-UHFFFAOYSA-N 0 1 288.416 3.695 20 0 CHADMN CCc1cnc(CNC/C=C\c2ccc(F)c(F)c2)s1 ZINC000512023305 332950776 /nfs/dbraw/zinc/95/07/76/332950776.db2.gz JRCPSADELWDVNZ-ARJAWSKDSA-N 0 1 294.370 3.787 20 0 CHADMN CCCCc1nc(CN[C@]2(CCC)CCOC2)cs1 ZINC000512245178 332960058 /nfs/dbraw/zinc/96/00/58/332960058.db2.gz QCWLYXQBEHVTKC-OAHLLOKOSA-N 0 1 282.453 3.535 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@H](C)c1nccs1 ZINC000336722014 335115234 /nfs/dbraw/zinc/11/52/34/335115234.db2.gz DRBMFLMVNHIFMU-SFYZADRCSA-N 0 1 252.305 3.525 20 0 CHADMN CC[N@@H+](CC(=O)Nc1c(F)cccc1F)C1CCCCC1 ZINC000513221635 333009619 /nfs/dbraw/zinc/00/96/19/333009619.db2.gz CXVINUHOXJEFPQ-UHFFFAOYSA-N 0 1 296.361 3.558 20 0 CHADMN CCc1ccccc1CCN[C@H](C)c1c(F)cncc1F ZINC000513257669 333011285 /nfs/dbraw/zinc/01/12/85/333011285.db2.gz SOLXUMXJECDWGB-GFCCVEGCSA-N 0 1 290.357 3.816 20 0 CHADMN Cc1nc2sccn2c1CN(C)Cc1ccc(C)c(C)c1 ZINC000513755212 333037546 /nfs/dbraw/zinc/03/75/46/333037546.db2.gz QUQBRLSXYMHEPU-UHFFFAOYSA-N 0 1 299.443 3.953 20 0 CHADMN CC(C)C[C@@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000177388647 333058264 /nfs/dbraw/zinc/05/82/64/333058264.db2.gz QOOGCYBBDFNZRA-HNNXBMFYSA-N 0 1 299.418 3.995 20 0 CHADMN CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCCO1 ZINC000514003965 333059003 /nfs/dbraw/zinc/05/90/03/333059003.db2.gz YCZRZWFFCJZDDC-LBPRGKRZSA-N 0 1 288.218 3.994 20 0 CHADMN Cc1ccc(C)c(OCC[N@H+](C)CCC(F)(F)F)c1 ZINC000514007890 333059576 /nfs/dbraw/zinc/05/95/76/333059576.db2.gz VHYWSJCOPCJBRP-UHFFFAOYSA-N 0 1 275.314 3.566 20 0 CHADMN Cc1ccc(C)c(OCCN(C)CCC(F)(F)F)c1 ZINC000514007890 333059578 /nfs/dbraw/zinc/05/95/78/333059578.db2.gz VHYWSJCOPCJBRP-UHFFFAOYSA-N 0 1 275.314 3.566 20 0 CHADMN CC(C)(C)C(C)(C)NC(=O)c1ccc(O)c(Cl)c1 ZINC000311049486 333063757 /nfs/dbraw/zinc/06/37/57/333063757.db2.gz GKXQFFHUDQZFRK-UHFFFAOYSA-N 0 1 269.772 3.600 20 0 CHADMN CCc1cnc(CN(C)[C@@H](C)Cc2ccccc2C)o1 ZINC000516708493 333081254 /nfs/dbraw/zinc/08/12/54/333081254.db2.gz ITULQZJXTUUURU-AWEZNQCLSA-N 0 1 272.392 3.608 20 0 CHADMN CCCCc1noc([C@H](C)N2CCC[C@H](CC)CC2)n1 ZINC000516891004 333085558 /nfs/dbraw/zinc/08/55/58/333085558.db2.gz ZKJAUGOSCRVROF-KBPBESRZSA-N 0 1 279.428 3.985 20 0 CHADMN Cc1oc(C[N@@H+]2CCCC[C@@H]2CC(C)C)cc1C(=O)[O-] ZINC000517160739 333093488 /nfs/dbraw/zinc/09/34/88/333093488.db2.gz HDBHOFNYYAGXMX-CYBMUJFWSA-N 0 1 279.380 3.687 20 0 CHADMN CCCC(CCC)[S@@](=O)C=C(O)c1cc(C)n(C)c1C ZINC000517448414 333099655 /nfs/dbraw/zinc/09/96/55/333099655.db2.gz DNDSOMSAHCQEJZ-FQEVSTJZSA-N 0 1 297.464 3.542 20 0 CHADMN C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ncccc1[O-] ZINC000517625697 333104449 /nfs/dbraw/zinc/10/44/49/333104449.db2.gz IXJPKYLZENUDBW-AWEZNQCLSA-N 0 1 282.387 3.588 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1ncccc1[O-] ZINC000517625697 333104450 /nfs/dbraw/zinc/10/44/50/333104450.db2.gz IXJPKYLZENUDBW-AWEZNQCLSA-N 0 1 282.387 3.588 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2cccc3ccoc32)n[nH]1 ZINC000517680230 333105760 /nfs/dbraw/zinc/10/57/60/333105760.db2.gz WLDHHJLJDGTDAZ-NWDGAFQWSA-N 0 1 298.390 3.915 20 0 CHADMN Fc1ccc(CCN2CCOCC3(CCC3)C2)c(Cl)c1 ZINC000521127869 333112075 /nfs/dbraw/zinc/11/20/75/333112075.db2.gz GLXXWGZQAQPDSJ-UHFFFAOYSA-N 0 1 297.801 3.524 20 0 CHADMN C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000182811893 333117629 /nfs/dbraw/zinc/11/76/29/333117629.db2.gz FAIXBONGPZERFC-AUUYWEPGSA-N 0 1 299.389 3.901 20 0 CHADMN C[C@@H](CCC1CC1)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000184063832 333124934 /nfs/dbraw/zinc/12/49/34/333124934.db2.gz QINPSNRIJNHUFY-KBPBESRZSA-N 0 1 299.418 3.890 20 0 CHADMN COCCCCC[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185307645 333138490 /nfs/dbraw/zinc/13/84/90/333138490.db2.gz AVZZQAMFTWBUMR-CYBMUJFWSA-N 0 1 283.362 3.571 20 0 CHADMN CSCCC[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185302155 333138498 /nfs/dbraw/zinc/13/84/98/333138498.db2.gz HDLNRFVYINZGJB-LLVKDONJSA-N 0 1 271.376 3.507 20 0 CHADMN CC[C@@H]1[C@H](C)CCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000185457637 333140978 /nfs/dbraw/zinc/14/09/78/333140978.db2.gz VIKNKKIOXCIOPR-MLGOLLRUSA-N 0 1 289.423 3.718 20 0 CHADMN CC[C@H]1[C@@H](C)CCN1Cc1noc(-c2ccccc2C)n1 ZINC000185629357 333145461 /nfs/dbraw/zinc/14/54/61/333145461.db2.gz UCNCXZZNSIUQCS-ZFWWWQNUSA-N 0 1 285.391 3.665 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CC=C(COC)CC1 ZINC000185821874 333149646 /nfs/dbraw/zinc/14/96/46/333149646.db2.gz FRTOMKUUNFZPRO-MRXNPFEDSA-N 0 1 281.346 3.694 20 0 CHADMN Cc1csc([C@@H](C)NCc2cccc3cc[nH]c32)n1 ZINC000219456185 333150384 /nfs/dbraw/zinc/15/03/84/333150384.db2.gz VUCHMVIMKKQYCS-LLVKDONJSA-N 0 1 271.389 3.784 20 0 CHADMN COc1ccsc1[C@H](C)NCc1cc(F)cc(F)c1 ZINC000186095734 333154736 /nfs/dbraw/zinc/15/47/36/333154736.db2.gz MGFZEDXEQQYACN-VIFPVBQESA-N 0 1 283.343 3.886 20 0 CHADMN CC(C)COCCCN[C@H](C)c1csc(C(C)C)n1 ZINC000186216635 333156602 /nfs/dbraw/zinc/15/66/02/333156602.db2.gz KVWXYCGSYBRSPR-CYBMUJFWSA-N 0 1 284.469 3.980 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@@H]2CCCS2)cs1 ZINC000186382514 333159698 /nfs/dbraw/zinc/15/96/98/333159698.db2.gz OJWQUNMDDQWZQL-MNOVXSKESA-N 0 1 270.467 3.813 20 0 CHADMN O=C(CN1CCCC2(CC2)C1)Nc1cccc2ccccc21 ZINC000186998940 333167299 /nfs/dbraw/zinc/16/72/99/333167299.db2.gz QHJRWUMMKRJAIM-UHFFFAOYSA-N 0 1 294.398 3.654 20 0 CHADMN Cc1ccc2c(c1)nc(CNCc1cc(C)cc(C)c1)n2C ZINC000187590581 333172852 /nfs/dbraw/zinc/17/28/52/333172852.db2.gz YUOMSJSQAGVVRS-UHFFFAOYSA-N 0 1 293.414 3.788 20 0 CHADMN CCC1CCN(Cc2nc3ccc(F)cc3o2)CC1 ZINC000162988543 333185779 /nfs/dbraw/zinc/18/57/79/333185779.db2.gz DGWHQGIAHWEPTM-UHFFFAOYSA-N 0 1 262.328 3.589 20 0 CHADMN CCC[N@H+](CC(=O)Nc1c(C)cccc1CC)CC(C)C ZINC000521820052 333190111 /nfs/dbraw/zinc/19/01/11/333190111.db2.gz RXVBYRZMUDMYQQ-UHFFFAOYSA-N 0 1 290.451 3.864 20 0 CHADMN Clc1ccccc1[C@@H]1CCC[C@@H]1NCc1ncccn1 ZINC000521900388 333197072 /nfs/dbraw/zinc/19/70/72/333197072.db2.gz LPETXRVLUCKMPW-ZFWWWQNUSA-N 0 1 287.794 3.556 20 0 CHADMN Clc1ccccc1[C@H]1CCC[C@@H]1NCc1ncccn1 ZINC000521900386 333197125 /nfs/dbraw/zinc/19/71/25/333197125.db2.gz LPETXRVLUCKMPW-HIFRSBDPSA-N 0 1 287.794 3.556 20 0 CHADMN C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190912883 333212182 /nfs/dbraw/zinc/21/21/82/333212182.db2.gz YWUFUSODKJNFSK-VWYCJHECSA-N 0 1 288.218 3.615 20 0 CHADMN C[C@@H](c1cc(Cl)ccc1Cl)N1C[C@@H](C)[C@H](CO)C1 ZINC000190912883 333212183 /nfs/dbraw/zinc/21/21/83/333212183.db2.gz YWUFUSODKJNFSK-VWYCJHECSA-N 0 1 288.218 3.615 20 0 CHADMN Cc1c([C@H](C)NCc2cc(F)cc(F)c2)cnn1C(C)C ZINC000191144025 333216013 /nfs/dbraw/zinc/21/60/13/333216013.db2.gz ZUIMDANOWGZJJE-NSHDSACASA-N 0 1 293.361 3.901 20 0 CHADMN C[C@H](NCc1cccc(O)c1)c1csc(Cl)c1 ZINC000191252766 333217465 /nfs/dbraw/zinc/21/74/65/333217465.db2.gz DDWUBFPBGKFKQT-VIFPVBQESA-N 0 1 267.781 3.958 20 0 CHADMN CC(C)=CCNCc1csc(-c2cccs2)n1 ZINC000191627660 333222504 /nfs/dbraw/zinc/22/25/04/333222504.db2.gz SOZCRTBCGAXTIU-UHFFFAOYSA-N 0 1 264.419 3.927 20 0 CHADMN CC(C)=CCNCc1csc(-c2ccccc2)n1 ZINC000191630071 333222562 /nfs/dbraw/zinc/22/25/62/333222562.db2.gz GLIJPOKSGWMLBC-UHFFFAOYSA-N 0 1 258.390 3.866 20 0 CHADMN Cc1cccnc1CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000191658633 333222967 /nfs/dbraw/zinc/22/29/67/333222967.db2.gz COGXGSWIYSILFO-CYBMUJFWSA-N 0 1 286.341 3.800 20 0 CHADMN C[C@H](NCc1cnc(-c2ccco2)s1)c1cccnc1 ZINC000192981999 333241016 /nfs/dbraw/zinc/24/10/16/333241016.db2.gz NTPKXCKVFKCKIC-NSHDSACASA-N 0 1 285.372 3.649 20 0 CHADMN Cc1cccc([C@@H](C)N[C@@H]2COCc3ccccc32)c1 ZINC000226005624 333245181 /nfs/dbraw/zinc/24/51/81/333245181.db2.gz HJKYMKWIDGCSLV-RDTXWAMCSA-N 0 1 267.372 3.917 20 0 CHADMN CCc1ccc(CN[C@@H]2COCc3ccccc32)cc1 ZINC000226013025 333245546 /nfs/dbraw/zinc/24/55/46/333245546.db2.gz UXNDHNGCFSIOEH-GOSISDBHSA-N 0 1 267.372 3.610 20 0 CHADMN COc1ncccc1CN[C@H](c1ccccc1)C1CCC1 ZINC000193425227 333249846 /nfs/dbraw/zinc/24/98/46/333249846.db2.gz QREUVFUUKYUPIC-QGZVFWFLSA-N 0 1 282.387 3.721 20 0 CHADMN CCN(CC(=O)Nc1cccc2ccccc21)C(C)C ZINC000195527319 333254838 /nfs/dbraw/zinc/25/48/38/333254838.db2.gz MVHHQYLTFFZQEU-UHFFFAOYSA-N 0 1 270.376 3.509 20 0 CHADMN CC1(C)[C@@H](c2ccccc2)CCN1Cc1nnc(C2CC2)o1 ZINC000575911878 335130284 /nfs/dbraw/zinc/13/02/84/335130284.db2.gz DWAGVZCQOMXIMT-OAHLLOKOSA-N 0 1 297.402 3.715 20 0 CHADMN Fc1cccc([C@@H]2CCCN2CCOCC(F)(F)F)c1 ZINC000194311588 333268846 /nfs/dbraw/zinc/26/88/46/333268846.db2.gz ZIIFDIOHYFWUJF-ZDUSSCGKSA-N 0 1 291.288 3.542 20 0 CHADMN C[C@@H](NCc1ccccc1N1CCCCC1)c1cccnc1 ZINC000194890413 333278721 /nfs/dbraw/zinc/27/87/21/333278721.db2.gz DBWWUPPHIHUVQR-MRXNPFEDSA-N 0 1 295.430 3.923 20 0 CHADMN COc1cccc([C@H](C)NCc2cc(C)ccc2F)c1 ZINC000227284435 333279586 /nfs/dbraw/zinc/27/95/86/333279586.db2.gz PXJOXIOWBLKWHQ-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN CC(C)(C)C[C@H](O)CNCc1c(Cl)cccc1Cl ZINC000227373230 333281862 /nfs/dbraw/zinc/28/18/62/333281862.db2.gz RHOYNSIFUKXEDZ-JTQLQIEISA-N 0 1 290.234 3.880 20 0 CHADMN CCCCN(CCCC)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000523253595 333313353 /nfs/dbraw/zinc/31/33/53/333313353.db2.gz QAIKLTOGZIPFJH-UHFFFAOYSA-N 0 1 287.407 3.914 20 0 CHADMN C[C@H](O)C[C@@H]1CCCCN1Cc1ccc(F)c(Cl)c1 ZINC000231084797 333323906 /nfs/dbraw/zinc/32/39/06/333323906.db2.gz CYHSFLNTXDKOKK-AAEUAGOBSA-N 0 1 285.790 3.605 20 0 CHADMN C[C@@H](O)C[C@H]1CCCCN1Cc1cc(Cl)ccc1F ZINC000231218789 333324391 /nfs/dbraw/zinc/32/43/91/333324391.db2.gz NIXARXLSLWGRFW-BXUZGUMPSA-N 0 1 285.790 3.605 20 0 CHADMN CC[C@@H]1CN(CCOc2ccc3ccccc3c2)C[C@H](C)O1 ZINC000523582642 333333505 /nfs/dbraw/zinc/33/35/05/333333505.db2.gz ARYIEWRNPVXTFD-MAUKXSAKSA-N 0 1 299.414 3.718 20 0 CHADMN CC(C)=CCNCc1nc(-c2ccccc2)cs1 ZINC000232621620 333339571 /nfs/dbraw/zinc/33/95/71/333339571.db2.gz VMGSPQYRZNHNLA-UHFFFAOYSA-N 0 1 258.390 3.866 20 0 CHADMN C[N@@H+](Cc1cccc(F)c1F)[C@@H]1CCc2ccccc2C1 ZINC000303540596 333343747 /nfs/dbraw/zinc/34/37/47/333343747.db2.gz HTHNQPYPXITTOM-MRXNPFEDSA-N 0 1 287.353 3.954 20 0 CHADMN Cc1cc(F)cc(C(=O)Nc2cccc(Cl)c2O)c1 ZINC000173473810 335135366 /nfs/dbraw/zinc/13/53/66/335135366.db2.gz AFHKSQXAXCGYFA-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc2c(n1)CCC2 ZINC000575967636 335135907 /nfs/dbraw/zinc/13/59/07/335135907.db2.gz XCIWQWWRWMJOGO-BXUZGUMPSA-N 0 1 298.352 3.733 20 0 CHADMN Oc1ccc2c(c1)[C@H](NCc1ccccc1F)CCC2 ZINC000236590326 333373779 /nfs/dbraw/zinc/37/37/79/333373779.db2.gz DNYYXDBRKMQPKL-QGZVFWFLSA-N 0 1 271.335 3.699 20 0 CHADMN Oc1ccc2c(c1)[C@@H](NCc1ccccc1F)CCC2 ZINC000236598390 333374192 /nfs/dbraw/zinc/37/41/92/333374192.db2.gz DNYYXDBRKMQPKL-KRWDZBQOSA-N 0 1 271.335 3.699 20 0 CHADMN CCC(C)(C)N(C)Cc1cccc(O)c1Br ZINC000315732841 333383506 /nfs/dbraw/zinc/38/35/06/333383506.db2.gz WRYBEEBPRXHEED-UHFFFAOYSA-N 0 1 286.213 3.775 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2cc(-c3cccs3)on2)C1 ZINC000524893919 333392244 /nfs/dbraw/zinc/39/22/44/333392244.db2.gz UHRFWAHHUMSVNZ-GHMZBOCLSA-N 0 1 262.378 3.633 20 0 CHADMN CCO[C@H]1C[C@@H](N(C)Cc2cccc(F)c2F)C1(C)C ZINC000524894958 333392660 /nfs/dbraw/zinc/39/26/60/333392660.db2.gz DHRCDSCSRAWLGK-KGLIPLIRSA-N 0 1 283.362 3.600 20 0 CHADMN CCCN(C)CC(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000524957316 333393922 /nfs/dbraw/zinc/39/39/22/333393922.db2.gz LAQCKVVEBCYXSN-UHFFFAOYSA-N 0 1 296.370 3.866 20 0 CHADMN FC(F)[C@H]1C[C@@H]1NCc1csc(Cl)c1Cl ZINC000393443873 333412970 /nfs/dbraw/zinc/41/29/70/333412970.db2.gz QCYJESPGLBSHNL-WDSKDSINSA-N 0 1 272.147 3.798 20 0 CHADMN COc1ccccc1C(C)(C)NC/C=C(/C)Cl ZINC000528412852 333435096 /nfs/dbraw/zinc/43/50/96/333435096.db2.gz GCVIMCLOQLEVST-LUAWRHEFSA-N 0 1 253.773 3.663 20 0 CHADMN C/C(Cl)=C/CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000528437462 333437577 /nfs/dbraw/zinc/43/75/77/333437577.db2.gz NQYHZQDLRZZPQD-LLBKUYECSA-N 0 1 292.810 3.607 20 0 CHADMN C/C(Cl)=C/CN[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000528453139 333438973 /nfs/dbraw/zinc/43/89/73/333438973.db2.gz XXIPWFUQJCMJKL-BRNRAETOSA-N 0 1 269.820 3.740 20 0 CHADMN C/C(Cl)=C/CN1CCN([C@H](C)c2ccsc2)CC1 ZINC000528452185 333439051 /nfs/dbraw/zinc/43/90/51/333439051.db2.gz RGMABDIBDMNGMA-RYHWZFLVSA-N 0 1 284.856 3.569 20 0 CHADMN C[C@@H]1CC[C@H](C[NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000328156906 333452141 /nfs/dbraw/zinc/45/21/41/333452141.db2.gz UKOQCXJNXUDQHJ-MNOVXSKESA-N 0 1 253.773 3.571 20 0 CHADMN CC[C@@H](NCc1conc1C)c1ccc(Cl)cc1 ZINC000339189496 335142495 /nfs/dbraw/zinc/14/24/95/335142495.db2.gz UUXLLPBCDPUQSV-CQSZACIVSA-N 0 1 264.756 3.877 20 0 CHADMN Cc1nc(C)c(CNCc2ccccc2CC(C)C)o1 ZINC000529639261 333502706 /nfs/dbraw/zinc/50/27/06/333502706.db2.gz PDCFWQDYHJXYJN-UHFFFAOYSA-N 0 1 272.392 3.780 20 0 CHADMN C[C@H]([NH2+]Cc1cccc([O-])c1Cl)C1CCCC1 ZINC000328338574 333525089 /nfs/dbraw/zinc/52/50/89/333525089.db2.gz KUABUZAQPNHHLU-JTQLQIEISA-N 0 1 253.773 3.714 20 0 CHADMN COc1ncccc1CNCc1cccc2ccccc21 ZINC000037408051 333532884 /nfs/dbraw/zinc/53/28/84/333532884.db2.gz POKQCHVPAOFVEU-UHFFFAOYSA-N 0 1 278.355 3.533 20 0 CHADMN CCc1nc(C)c([C@H](C)NCc2cccc(C)n2)s1 ZINC000127205843 333622960 /nfs/dbraw/zinc/62/29/60/333622960.db2.gz INTBPAVGAJXCEZ-NSHDSACASA-N 0 1 275.421 3.568 20 0 CHADMN Cc1cccc(CN[C@H]2CCc3cc(Cl)ccc32)n1 ZINC000127310926 333626080 /nfs/dbraw/zinc/62/60/80/333626080.db2.gz YNSRALIRGUJGEW-INIZCTEOSA-N 0 1 272.779 3.821 20 0 CHADMN CC[C@H](N[C@@H](CO)c1ccccc1OC)c1cccs1 ZINC000539082955 333656434 /nfs/dbraw/zinc/65/64/34/333656434.db2.gz KDCVFEZILPVFHZ-KBPBESRZSA-N 0 1 291.416 3.531 20 0 CHADMN COc1ccccc1[C@@H](CO)N[C@H](C)c1cc(C)ccc1C ZINC000539084959 333656586 /nfs/dbraw/zinc/65/65/86/333656586.db2.gz HUTJVYMGMPGTGA-CRAIPNDOSA-N 0 1 299.414 3.696 20 0 CHADMN COC(=O)c1coc([C@@H](C)N[C@@H]2CCc3c2cccc3C)c1 ZINC000576101130 335153777 /nfs/dbraw/zinc/15/37/77/335153777.db2.gz NLMCTBAWAVJHCV-MLGOLLRUSA-N 0 1 299.370 3.713 20 0 CHADMN C[C@@H](NCc1cc2c(s1)CCCC2)c1ccccn1 ZINC000540166635 333716978 /nfs/dbraw/zinc/71/69/78/333716978.db2.gz LRSOALMLGBZSJE-GFCCVEGCSA-N 0 1 272.417 3.873 20 0 CHADMN CCC[C@H](NCc1nc([C@@H](C)OC)no1)C1CCCCC1 ZINC000540590633 333736072 /nfs/dbraw/zinc/73/60/72/333736072.db2.gz PNOYOFCNAZDPAF-OCCSQVGLSA-N 0 1 295.427 3.616 20 0 CHADMN Cc1ccc(CN[C@H]2CCSc3ccc(F)cc32)cn1 ZINC000129099370 333746216 /nfs/dbraw/zinc/74/62/16/333746216.db2.gz QSIPSGGXNIUZTL-HNNXBMFYSA-N 0 1 288.391 3.856 20 0 CHADMN CN(C(=O)c1c(O)cccc1F)C1CCC(C)(C)CC1 ZINC000129119141 333747683 /nfs/dbraw/zinc/74/76/83/333747683.db2.gz UHXURJCGNBKUCV-UHFFFAOYSA-N 0 1 279.355 3.572 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@@H](C)c2cncnc2C)c1 ZINC000576122083 335157658 /nfs/dbraw/zinc/15/76/58/335157658.db2.gz VWGJRXYJMKCDLL-OCCSQVGLSA-N 0 1 285.391 3.596 20 0 CHADMN CCOc1cccc([C@H](C)N[C@H](C)c2cncnc2C)c1 ZINC000576122081 335157780 /nfs/dbraw/zinc/15/77/80/335157780.db2.gz VWGJRXYJMKCDLL-GXTWGEPZSA-N 0 1 285.391 3.596 20 0 CHADMN CCc1nnc(SCC[C@H]2CCC[C@H](C)C2)[nH]1 ZINC000576124232 335158194 /nfs/dbraw/zinc/15/81/94/335158194.db2.gz CHDSUEWPJOPYHE-WDEREUQCSA-N 0 1 253.415 3.676 20 0 CHADMN CCc1n[nH]c(SCC[C@H]2CCC[C@H](C)C2)n1 ZINC000576124232 335158196 /nfs/dbraw/zinc/15/81/96/335158196.db2.gz CHDSUEWPJOPYHE-WDEREUQCSA-N 0 1 253.415 3.676 20 0 CHADMN CC[C@@H](NCc1cnoc1C)c1cccc(Cl)c1 ZINC000129735095 333793747 /nfs/dbraw/zinc/79/37/47/333793747.db2.gz HLFPFWYDCKWWKE-CQSZACIVSA-N 0 1 264.756 3.877 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@@H](C)c1nccs1 ZINC000070732269 333825042 /nfs/dbraw/zinc/82/50/42/333825042.db2.gz HPYFDMPWAODGBF-UWVGGRQHSA-N 0 1 252.408 3.925 20 0 CHADMN CCCC[C@H](NCc1nc(CC(C)C)no1)C1CCC1 ZINC000542526225 333830956 /nfs/dbraw/zinc/83/09/56/333830956.db2.gz SRUUZXKEHGPXHZ-AWEZNQCLSA-N 0 1 279.428 3.717 20 0 CHADMN CCC[C@H](NCc1c(C)nn(CC)c1C)c1cccnc1 ZINC000542668585 333835376 /nfs/dbraw/zinc/83/53/76/333835376.db2.gz NJXDFIMRFUETTD-KRWDZBQOSA-N 0 1 286.423 3.546 20 0 CHADMN COc1ccc(CNCc2ncc(C)s2)c2ccccc12 ZINC000230686310 333839331 /nfs/dbraw/zinc/83/93/31/333839331.db2.gz GGTNFJKHBZCOSN-UHFFFAOYSA-N 0 1 298.411 3.903 20 0 CHADMN Cc1oc(-c2cccs2)nc1CNC1(C2CC2)CC1 ZINC000543455249 333876204 /nfs/dbraw/zinc/87/62/04/333876204.db2.gz QMPMYSWJNKZJGH-UHFFFAOYSA-N 0 1 274.389 3.744 20 0 CHADMN CCC[C@@H](NCc1ccnc(SC)c1)c1cccnc1 ZINC000544567461 333936068 /nfs/dbraw/zinc/93/60/68/333936068.db2.gz SKPORLBNVVDGCF-OAHLLOKOSA-N 0 1 287.432 3.830 20 0 CHADMN CC[C@@H](NCc1ccc(C(C)(C)C)cc1)c1ccn(C)n1 ZINC000544570008 333936609 /nfs/dbraw/zinc/93/66/09/333936609.db2.gz MGMXHKCCAUTCNE-MRXNPFEDSA-N 0 1 285.435 3.959 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccnc3ccccc13)CO2 ZINC000545928207 334007251 /nfs/dbraw/zinc/00/72/51/334007251.db2.gz SPEDAKLCGURWOG-KRWDZBQOSA-N 0 1 294.329 3.597 20 0 CHADMN CC/C=C/CCN1CCO[C@H](c2ccccc2C)C1 ZINC000545937707 334007717 /nfs/dbraw/zinc/00/77/17/334007717.db2.gz XICODBUXKHEMSU-BDUNBXCCSA-N 0 1 259.393 3.725 20 0 CHADMN Cc1ccc([C@H]2CC[N@@H+](Cc3cc(O)cc(F)c3)C2)cc1 ZINC000546035333 334013794 /nfs/dbraw/zinc/01/37/94/334013794.db2.gz VTFIRRMHXVNGLC-INIZCTEOSA-N 0 1 285.362 3.829 20 0 CHADMN FCCCN1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000133047359 334014251 /nfs/dbraw/zinc/01/42/51/334014251.db2.gz YUIMBVDCEVGYOR-GFCCVEGCSA-N 0 1 271.763 3.543 20 0 CHADMN O=C(CC/C=C\c1ccccc1)Nc1nc(C2CCC2)n[nH]1 ZINC000546149936 334016771 /nfs/dbraw/zinc/01/67/71/334016771.db2.gz INABLUJGVLOCJI-WTKPLQERSA-N 0 1 296.374 3.504 20 0 CHADMN O=C(CC/C=C\c1ccccc1)Nc1n[nH]c(C2CCC2)n1 ZINC000546149936 334016772 /nfs/dbraw/zinc/01/67/72/334016772.db2.gz INABLUJGVLOCJI-WTKPLQERSA-N 0 1 296.374 3.504 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(OC(F)F)cc2)nc1 ZINC000133203803 334026643 /nfs/dbraw/zinc/02/66/43/334026643.db2.gz VAVRTICFKSVUBT-UHFFFAOYSA-N 0 1 292.329 3.623 20 0 CHADMN CCCCOc1ccc(CNC2(CF)CCC2)cc1OC ZINC000576226574 335173875 /nfs/dbraw/zinc/17/38/75/335173875.db2.gz LSSVSLREXCYSJL-UHFFFAOYSA-N 0 1 295.398 3.856 20 0 CHADMN CCC(CC)N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000546606396 334040009 /nfs/dbraw/zinc/04/00/09/334040009.db2.gz AJXBKPPCIAZMOS-MRXNPFEDSA-N 0 1 291.826 3.941 20 0 CHADMN CC/C=C/CCN1CCO[C@](C)(c2ccccc2)C1 ZINC000546636476 334042701 /nfs/dbraw/zinc/04/27/01/334042701.db2.gz PHRSIFYEETXPGG-BDUNBXCCSA-N 0 1 259.393 3.590 20 0 CHADMN CC[C@@H](NC(C)(C)c1cnn(C)c1)c1ccc(F)cc1F ZINC000546704360 334047114 /nfs/dbraw/zinc/04/71/14/334047114.db2.gz CBGSEIAJYFNQEB-OAHLLOKOSA-N 0 1 293.361 3.674 20 0 CHADMN CCCc1nc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cs1 ZINC000075768655 334050768 /nfs/dbraw/zinc/05/07/68/334050768.db2.gz SBSLUSDZHNQRAI-OCCSQVGLSA-N 0 1 264.438 3.860 20 0 CHADMN CCCc1nc(CN2CCC[C@H]3CCC[C@@H]32)cs1 ZINC000075768655 334050769 /nfs/dbraw/zinc/05/07/69/334050769.db2.gz SBSLUSDZHNQRAI-OCCSQVGLSA-N 0 1 264.438 3.860 20 0 CHADMN CC(C)C1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000075833565 334053434 /nfs/dbraw/zinc/05/34/34/334053434.db2.gz LXMWACRLXMJUDB-UHFFFAOYSA-N 0 1 291.420 3.666 20 0 CHADMN CCN(CCC1CC1)Cc1nc(-c2cccc(C)c2)no1 ZINC000546935413 334056416 /nfs/dbraw/zinc/05/64/16/334056416.db2.gz LMAKVXDKTBAOPY-UHFFFAOYSA-N 0 1 285.391 3.667 20 0 CHADMN C[C@@H]1CC[C@@H](Cc2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000547144381 334068962 /nfs/dbraw/zinc/06/89/62/334068962.db2.gz JLKHSEOLYAEODJ-GHMZBOCLSA-N 0 1 282.347 3.592 20 0 CHADMN CC(C)C[C@H](C)Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000547159672 334069912 /nfs/dbraw/zinc/06/99/12/334069912.db2.gz QPMLTOCOTRJCMQ-NSHDSACASA-N 0 1 284.363 3.838 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H]1COc3ccc(F)cc31)CC2 ZINC000547356132 334083199 /nfs/dbraw/zinc/08/31/99/334083199.db2.gz YFVGPIZXUIQFRV-SJORKVTESA-N 0 1 283.346 3.845 20 0 CHADMN CCCc1noc(CN2C[C@@H](c3ccccc3)C(C)(C)C2)n1 ZINC000134272736 334086376 /nfs/dbraw/zinc/08/63/76/334086376.db2.gz BUNSGIQFGVTOPC-HNNXBMFYSA-N 0 1 299.418 3.648 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cccc2cc[nH]c21 ZINC000547494206 334094106 /nfs/dbraw/zinc/09/41/06/334094106.db2.gz BTOYFUKIYLOGRY-UHFFFAOYSA-N 0 1 282.347 3.575 20 0 CHADMN COCC[C@@H](NCc1ccc(F)cc1C)c1ccco1 ZINC000547507555 334095924 /nfs/dbraw/zinc/09/59/24/334095924.db2.gz BBZUYBOGYJAPIW-OAHLLOKOSA-N 0 1 277.339 3.595 20 0 CHADMN c1ccc([C@H]2CCCC[C@H]2NCc2nnc(C3CC3)o2)cc1 ZINC000547559958 334101198 /nfs/dbraw/zinc/10/11/98/334101198.db2.gz AWEQGOOSQXZWDW-HZPDHXFCSA-N 0 1 297.402 3.763 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H](C)C[C@H]2C)cs1 ZINC000077319430 334102290 /nfs/dbraw/zinc/10/22/90/334102290.db2.gz COFJSAXKBOAYIH-VXGBXAGGSA-N 0 1 252.427 3.887 20 0 CHADMN Cc1ccc(-c2noc(CN3CCCCC[C@@H]3C)n2)cc1 ZINC000547624350 334103344 /nfs/dbraw/zinc/10/33/44/334103344.db2.gz ZRYRNVFYVQNNIS-AWEZNQCLSA-N 0 1 285.391 3.810 20 0 CHADMN Cc1ccc(-c2noc(CN(C(C)C)C3CCC3)n2)cc1 ZINC000077358017 334103467 /nfs/dbraw/zinc/10/34/67/334103467.db2.gz BRHMPBUGRVZWSW-UHFFFAOYSA-N 0 1 285.391 3.808 20 0 CHADMN COc1ccc(Br)cc1C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000134970756 334110132 /nfs/dbraw/zinc/11/01/32/334110132.db2.gz MMIVEIHYOYBNCN-MNOVXSKESA-N 0 1 298.224 3.688 20 0 CHADMN COc1ccc(Br)cc1CN1C[C@H](C)C[C@@H]1C ZINC000134970756 334110133 /nfs/dbraw/zinc/11/01/33/334110133.db2.gz MMIVEIHYOYBNCN-MNOVXSKESA-N 0 1 298.224 3.688 20 0 CHADMN CCc1ccccc1CNCc1cc(OC)ccc1OC ZINC000077901770 334118179 /nfs/dbraw/zinc/11/81/79/334118179.db2.gz BYIZOXLUXJHKFL-UHFFFAOYSA-N 0 1 285.387 3.556 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)N(C)CCC1CC1 ZINC000135258840 334122106 /nfs/dbraw/zinc/12/21/06/334122106.db2.gz YVKUNORSYVZJEK-JTQLQIEISA-N 0 1 277.393 3.591 20 0 CHADMN O=C(Nc1cccc2cc[nH]c21)c1ccc(Cl)cc1O ZINC000547819405 334122250 /nfs/dbraw/zinc/12/22/50/334122250.db2.gz YVJGYZDRTSAUQN-UHFFFAOYSA-N 0 1 286.718 3.779 20 0 CHADMN CC(C)N(C(=O)c1cc(C2CCCCC2)[nH]n1)C1CCC1 ZINC000135536192 334132667 /nfs/dbraw/zinc/13/26/67/334132667.db2.gz FCUVROMMQBLYHP-UHFFFAOYSA-N 0 1 289.423 3.861 20 0 CHADMN C[C@@H]1CN(Cc2cccc(C(F)F)c2)C[C@@H](C)S1 ZINC000548095767 334139321 /nfs/dbraw/zinc/13/93/21/334139321.db2.gz LLAKNTXFCZUBRT-GHMZBOCLSA-N 0 1 271.376 3.950 20 0 CHADMN C[C@H]1C[C@H](C)N1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000548096975 334139554 /nfs/dbraw/zinc/13/95/54/334139554.db2.gz CKFANRMWZJWVDY-GJZGRUSLSA-N 0 1 294.398 3.922 20 0 CHADMN C[C@@H]1CCC[C@H](CCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000078831554 334141217 /nfs/dbraw/zinc/14/12/17/334141217.db2.gz DFSMZGNEALPYKN-CHWSQXEVSA-N 0 1 285.391 3.509 20 0 CHADMN CCCc1noc(CN[C@@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000548210792 334146509 /nfs/dbraw/zinc/14/65/09/334146509.db2.gz HVCBQWXQAVYXEK-HZPDHXFCSA-N 0 1 299.418 3.838 20 0 CHADMN Fc1cc(Cl)ccc1CNCc1ccc2[nH]cnc2c1 ZINC000548294804 334149126 /nfs/dbraw/zinc/14/91/26/334149126.db2.gz XWUFOBKNPJXZHG-UHFFFAOYSA-N 0 1 289.741 3.645 20 0 CHADMN Fc1cc(Cl)ccc1CNCc1ccc2nc[nH]c2c1 ZINC000548294804 334149127 /nfs/dbraw/zinc/14/91/27/334149127.db2.gz XWUFOBKNPJXZHG-UHFFFAOYSA-N 0 1 289.741 3.645 20 0 CHADMN Fc1cccc(CNCc2cc(Cl)cc3c2OCC3)c1 ZINC000136388225 334153460 /nfs/dbraw/zinc/15/34/60/334153460.db2.gz LFRGUNVSDZFDKI-UHFFFAOYSA-N 0 1 291.753 3.704 20 0 CHADMN CCCCN(C)[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000079806635 334162721 /nfs/dbraw/zinc/16/27/21/334162721.db2.gz GUVRVCWAIFSNDZ-LBPRGKRZSA-N 0 1 291.370 3.977 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cn3ccccc3n2)cc1 ZINC000079872734 334163604 /nfs/dbraw/zinc/16/36/04/334163604.db2.gz VCMGRIALCKAOLG-HNNXBMFYSA-N 0 1 279.387 3.836 20 0 CHADMN CC(C)C[C@@H]1CCN(Cc2nc(-c3ccsc3)no2)C1 ZINC000080642662 334172807 /nfs/dbraw/zinc/17/28/07/334172807.db2.gz UBEVEKDEBGNTLT-LBPRGKRZSA-N 0 1 291.420 3.666 20 0 CHADMN Cc1nc2cc(N[C@H]3CC[C@H]3C3CCC3)ccc2n1C ZINC000548881374 334178566 /nfs/dbraw/zinc/17/85/66/334178566.db2.gz ILIOEDGMGNXTHL-GJZGRUSLSA-N 0 1 269.392 3.872 20 0 CHADMN CO[C@@H](CN(C)Cc1ccc(F)cc1F)c1ccccc1 ZINC000549040449 334183427 /nfs/dbraw/zinc/18/34/27/334183427.db2.gz AQHWMHHMHIVYMQ-KRWDZBQOSA-N 0 1 291.341 3.784 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@@H]3C[C@H]3C3CCCCC3)c2[nH]1 ZINC000549089867 334185105 /nfs/dbraw/zinc/18/51/05/334185105.db2.gz JEORUMHFRSPDBW-GOEBONIOSA-N 0 1 297.402 3.570 20 0 CHADMN CO[C@@H](C[N@H+]1CCOC(C)(C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000549140390 334186239 /nfs/dbraw/zinc/18/62/39/334186239.db2.gz YENIXLSRODAOSM-WFASDCNBSA-N 0 1 297.826 3.527 20 0 CHADMN CO[C@@H](CN1CCOC(C)(C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000549140390 334186241 /nfs/dbraw/zinc/18/62/41/334186241.db2.gz YENIXLSRODAOSM-WFASDCNBSA-N 0 1 297.826 3.527 20 0 CHADMN CC(C)(C)c1[nH]ncc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000549257986 334188939 /nfs/dbraw/zinc/18/89/39/334188939.db2.gz YAKVDUZRLGFCNW-UHFFFAOYSA-N 0 1 295.745 3.752 20 0 CHADMN CC[C@@H]1CN(Cc2cc(C)on2)CC[C@H]1c1ccccc1 ZINC000245409552 334190420 /nfs/dbraw/zinc/19/04/20/334190420.db2.gz MXEFZUHGQCMNKC-CRAIPNDOSA-N 0 1 284.403 3.999 20 0 CHADMN CC[C@H]1CN(Cc2ccon2)CC[C@H]1c1ccccc1 ZINC000245411525 334190768 /nfs/dbraw/zinc/19/07/68/334190768.db2.gz XGEJUPDYWGUAHM-WMLDXEAASA-N 0 1 270.376 3.690 20 0 CHADMN CCc1ccc(C[N@@H+](CC)Cc2ccc(C)cc2)nc1 ZINC000549396944 334192332 /nfs/dbraw/zinc/19/23/32/334192332.db2.gz BNCWWCXBBFNNGJ-UHFFFAOYSA-N 0 1 268.404 3.975 20 0 CHADMN CCOC[C@@H]1CCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000081520649 334193934 /nfs/dbraw/zinc/19/39/34/334193934.db2.gz WMDQBVHRHJQVOI-LLVKDONJSA-N 0 1 288.218 3.852 20 0 CHADMN c1[nH]c(-c2ccccc2)nc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000245550917 334203019 /nfs/dbraw/zinc/20/30/19/334203019.db2.gz APKNEWNCXLHJGH-WMLDXEAASA-N 0 1 281.403 3.841 20 0 CHADMN CCC(C)(C)c1ccc(CNCc2conc2C)cc1 ZINC000549780442 334204970 /nfs/dbraw/zinc/20/49/70/334204970.db2.gz SLJZMVAOLZLRJW-UHFFFAOYSA-N 0 1 272.392 3.960 20 0 CHADMN Cc1nc(CN(C)[C@@H]2CC[C@@H](C)C2)nc2ccccc12 ZINC000549918428 334208599 /nfs/dbraw/zinc/20/85/99/334208599.db2.gz FARVXHMSPUGCCN-TZMCWYRMSA-N 0 1 269.392 3.559 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000549923228 334209011 /nfs/dbraw/zinc/20/90/11/334209011.db2.gz CUXLYFDPCOAYRB-WDEREUQCSA-N 0 1 276.767 3.835 20 0 CHADMN Cc1cc(Br)ccc1CN1C[C@H](C)[C@@H]1C ZINC000549924306 334209173 /nfs/dbraw/zinc/20/91/73/334209173.db2.gz VZOPLDLQZWLCFN-QWRGUYRKSA-N 0 1 268.198 3.598 20 0 CHADMN CC(C)[C@@H]1CN([C@@H](C)c2ccc(F)cc2F)CCCO1 ZINC000550186906 334215436 /nfs/dbraw/zinc/21/54/36/334215436.db2.gz SCXMXHRKWFISIK-LRDDRELGSA-N 0 1 283.362 3.773 20 0 CHADMN C[C@@H]1CN(Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H]1C ZINC000550305644 334219699 /nfs/dbraw/zinc/21/96/99/334219699.db2.gz FKYKPXTXHBQBSW-CABCVRRESA-N 0 1 294.398 3.779 20 0 CHADMN Cc1cc(CN[C@H]2CCC[C@H]2F)c(OC(F)F)cc1C ZINC000550320214 334220008 /nfs/dbraw/zinc/22/00/08/334220008.db2.gz OAYGHZSLBHZFPW-OLZOCXBDSA-N 0 1 287.325 3.885 20 0 CHADMN CC[C@@H](F)CN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000550391333 334221628 /nfs/dbraw/zinc/22/16/28/334221628.db2.gz QMYJGDSAADRQFF-TZMCWYRMSA-N 0 1 271.763 3.541 20 0 CHADMN COc1ccc([C@@H](C)CN2CCn3cccc3[C@H]2C)cc1 ZINC000245883590 334222716 /nfs/dbraw/zinc/22/27/16/334222716.db2.gz NZSBVQMNFCCDIJ-LSDHHAIUSA-N 0 1 284.403 3.677 20 0 CHADMN COCCO[C@@H]1CCCN([C@@H](C)c2cccc(Cl)c2)C1 ZINC000245895560 334223227 /nfs/dbraw/zinc/22/32/27/334223227.db2.gz PFUDRGLQFSNGCW-XJKSGUPXSA-N 0 1 297.826 3.528 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1C[C@@H]2CCC[C@H]2C1 ZINC000247008756 334273747 /nfs/dbraw/zinc/27/37/47/334273747.db2.gz HCNZLUNUIBYONW-AGIUHOORSA-N 0 1 262.397 3.765 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)N(C)C[C@@H](O)C(F)(F)F ZINC000245961343 334225824 /nfs/dbraw/zinc/22/58/24/334225824.db2.gz DIVLBWNPRCFKAG-XHDPSFHLSA-N 0 1 297.320 3.756 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000575874581 334233719 /nfs/dbraw/zinc/23/37/19/334233719.db2.gz DSDHGHYHNZMHPP-MNOVXSKESA-N 0 1 281.421 3.765 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1C[C@@H](C)CCC[C@H]1C ZINC000575874583 334233744 /nfs/dbraw/zinc/23/37/44/334233744.db2.gz DSDHGHYHNZMHPP-WDEREUQCSA-N 0 1 281.421 3.765 20 0 CHADMN CCCN1CCC[C@@H]1c1nc(Cc2ccccc2C)no1 ZINC000551037360 334236632 /nfs/dbraw/zinc/23/66/32/334236632.db2.gz OIFXSZIRENQVDG-OAHLLOKOSA-N 0 1 285.391 3.516 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)cc1Cl)c1cc[nH]c(=O)c1 ZINC000551242359 334242823 /nfs/dbraw/zinc/24/28/23/334242823.db2.gz TXXJAXOCPVSMFT-ZJUUUORDSA-N 0 1 294.757 3.992 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@H]1CCC[C@H]1F)CCS2 ZINC000551300928 334245740 /nfs/dbraw/zinc/24/57/40/334245740.db2.gz BHTVNOOMQDZWJP-RDBSUJKOSA-N 0 1 281.396 3.712 20 0 CHADMN Cc1ccc2nc(CNCc3c(C)cc(C)cc3C)cn2c1 ZINC000551536706 334253531 /nfs/dbraw/zinc/25/35/31/334253531.db2.gz QNTPQJHSBHYNQQ-UHFFFAOYSA-N 0 1 293.414 3.858 20 0 CHADMN CC(C)CCN1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000246377997 334254302 /nfs/dbraw/zinc/25/43/02/334254302.db2.gz HFVHLHSKRPICEI-JSGCOSHPSA-N 0 1 253.411 3.556 20 0 CHADMN CCCCc1noc(CN2CC[C@H](c3ccccc3)[C@H]2C)n1 ZINC000246400062 334256170 /nfs/dbraw/zinc/25/61/70/334256170.db2.gz JJSGJFSGSNMFRE-ZBFHGGJFSA-N 0 1 299.418 3.790 20 0 CHADMN CCc1ccc(CCN2CCCC[C@@H]2c2nc(C)no2)cc1 ZINC000552057733 334282858 /nfs/dbraw/zinc/28/28/58/334282858.db2.gz FPIOCWSSULGVTM-QGZVFWFLSA-N 0 1 299.418 3.710 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)N3CCC[C@H]3C)n2)ccc1F ZINC000247534067 334284598 /nfs/dbraw/zinc/28/45/98/334284598.db2.gz OMHOVOGQBZVRKH-VXGBXAGGSA-N 0 1 289.354 3.729 20 0 CHADMN CCCCc1noc(CN2CCC[C@H]3CCCC[C@H]32)n1 ZINC000248195800 334297034 /nfs/dbraw/zinc/29/70/34/334297034.db2.gz PKCGBOCCRGIQMS-ZIAGYGMSSA-N 0 1 277.412 3.567 20 0 CHADMN C[C@]1(CN[C@@H](c2ccco2)c2ccccc2)CCCC[C@@H]1O ZINC000248499816 334304239 /nfs/dbraw/zinc/30/42/39/334304239.db2.gz SFJIPNPNMKFRDU-IPMKNSEASA-N 0 1 299.414 3.900 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@H](C)[C@@H]2C)s1 ZINC000248508377 334304451 /nfs/dbraw/zinc/30/44/51/334304451.db2.gz YBYZNIJLTGIQPJ-RYUDHWBXSA-N 0 1 252.427 3.887 20 0 CHADMN CCC1(CC)[C@H](OC)C[C@@H]1NCc1cc(C(C)(C)C)on1 ZINC000564390931 334320429 /nfs/dbraw/zinc/32/04/29/334320429.db2.gz QGCCFFKDUCATDF-DZGCQCFKSA-N 0 1 294.439 3.655 20 0 CHADMN CCC1(CC)[C@H](NCc2cc(C(C)(C)C)on2)C[C@@H]1OC ZINC000564390932 334320469 /nfs/dbraw/zinc/32/04/69/334320469.db2.gz QGCCFFKDUCATDF-HIFRSBDPSA-N 0 1 294.439 3.655 20 0 CHADMN C[C@H](c1nc(Cc2ccccc2)no1)N1[C@H](C)CC[C@H]1C ZINC000248885091 334320760 /nfs/dbraw/zinc/32/07/60/334320760.db2.gz DWBILEQFSXZZNV-MGPQQGTHSA-N 0 1 285.391 3.594 20 0 CHADMN C[C@H](c1ccccn1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000249017364 334324818 /nfs/dbraw/zinc/32/48/18/334324818.db2.gz PXWFHUZPQAIMAB-CHWSQXEVSA-N 0 1 288.341 3.910 20 0 CHADMN CCOC[C@H](C)N[C@H](c1ccccc1)c1ccccc1OC ZINC000089555004 334346585 /nfs/dbraw/zinc/34/65/85/334346585.db2.gz UBWQSVJYPCDMPG-HNAYVOBHSA-N 0 1 299.414 3.799 20 0 CHADMN FC(F)(F)c1cccc(CN2CCCSCC2)c1 ZINC000089983866 334354840 /nfs/dbraw/zinc/35/48/40/334354840.db2.gz UTNXOGHRHUNVLX-UHFFFAOYSA-N 0 1 275.339 3.644 20 0 CHADMN CCc1cc(C(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2)n[nH]1 ZINC000553509788 334389292 /nfs/dbraw/zinc/38/92/92/334389292.db2.gz HEUVCMYSWQWOFH-GUYCJALGSA-N 0 1 297.402 3.586 20 0 CHADMN CCc1cc(C(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2)n[nH]1 ZINC000553509786 334389335 /nfs/dbraw/zinc/38/93/35/334389335.db2.gz HEUVCMYSWQWOFH-CXAGYDPISA-N 0 1 297.402 3.586 20 0 CHADMN C[C@@]1(NCc2nc3ccccc3[nH]2)CCCc2ccccc21 ZINC000553789757 334398811 /nfs/dbraw/zinc/39/88/11/334398811.db2.gz CNJUQABRFNJTOR-LJQANCHMSA-N 0 1 291.398 3.904 20 0 CHADMN CCCc1occc1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000554033226 334406842 /nfs/dbraw/zinc/40/68/42/334406842.db2.gz KJWZTNOFYDKFEE-UHFFFAOYSA-N 0 1 297.713 3.983 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1cccc(C)n1)CCC2 ZINC000092383939 334414602 /nfs/dbraw/zinc/41/46/02/334414602.db2.gz FVRGFTKLXZLYOX-SFHVURJKSA-N 0 1 282.387 3.566 20 0 CHADMN Cc1nc(CN[C@H]2CC[C@H]2C2CCC2)nc2ccccc12 ZINC000554725198 334449181 /nfs/dbraw/zinc/44/91/81/334449181.db2.gz ORQQSFATDOUACR-HOTGVXAUSA-N 0 1 281.403 3.607 20 0 CHADMN C[C@H](NCC(C)(F)F)C1CCC(C(F)(F)F)CC1 ZINC000556221334 334501004 /nfs/dbraw/zinc/50/10/04/334501004.db2.gz MNJMYUIMRDVXQE-IDKOKCKLSA-N 0 1 273.289 3.988 20 0 CHADMN CC(C)[C@H](CCc1ccccc1)NCC(C)(F)F ZINC000556221371 334501055 /nfs/dbraw/zinc/50/10/55/334501055.db2.gz NVEPYNOCPFQOBE-AWEZNQCLSA-N 0 1 255.352 3.889 20 0 CHADMN CC[C@H]1CCC[C@@H](NCc2noc(-c3cccs3)n2)C1 ZINC000564530364 334511074 /nfs/dbraw/zinc/51/10/74/334511074.db2.gz KKKRDMJCMUPNKI-NWDGAFQWSA-N 0 1 291.420 3.857 20 0 CHADMN c1ccc2c(CN[C@H]3CCCc4ccccc43)noc2c1 ZINC000565214973 334545611 /nfs/dbraw/zinc/54/56/11/334545611.db2.gz GGNHBKLKLLXART-INIZCTEOSA-N 0 1 278.355 3.995 20 0 CHADMN CCCC[C@@H]1CCC[C@@H]1NCc1ncc(CC)o1 ZINC000565633331 334580041 /nfs/dbraw/zinc/58/00/41/334580041.db2.gz BXNTWQCFOIJVGT-OCCSQVGLSA-N 0 1 250.386 3.686 20 0 CHADMN c1c[nH]c([C@@H](NCC23CCC(CC2)C3)c2ccccc2)n1 ZINC000565637676 334582657 /nfs/dbraw/zinc/58/26/57/334582657.db2.gz ROLYUDRMEBOMBO-HQVVEAJESA-N 0 1 281.403 3.669 20 0 CHADMN CCC(O)(CC)C(C)(C)CNCc1ncc(C(C)C)s1 ZINC000566020804 334617059 /nfs/dbraw/zinc/61/70/59/334617059.db2.gz DKNGKGBUCIVBBZ-UHFFFAOYSA-N 0 1 298.496 3.933 20 0 CHADMN Cc1ncc(CN[C@H]2CCCc3sc(Cl)cc32)n1C ZINC000566498833 334653131 /nfs/dbraw/zinc/65/31/31/334653131.db2.gz HWTUDNLXAIIIMO-LBPRGKRZSA-N 0 1 295.839 3.611 20 0 CHADMN CCc1cccc(CN[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000566707358 334661255 /nfs/dbraw/zinc/66/12/55/334661255.db2.gz QSFDVNIACPLSSU-KRWDZBQOSA-N 0 1 289.806 3.726 20 0 CHADMN COC[C@H](N[C@@H](C)c1nc(C(C)(C)C)cs1)C1CC1 ZINC000154057207 334686501 /nfs/dbraw/zinc/68/65/01/334686501.db2.gz NDQATTJHFVXLBZ-JQWIXIFHSA-N 0 1 282.453 3.516 20 0 CHADMN CCCOc1c(CN[C@H]2C[C@@H]2C(F)F)cccc1OCC ZINC000568131996 334795037 /nfs/dbraw/zinc/79/50/37/334795037.db2.gz HRFFRNABBOVZEE-STQMWFEESA-N 0 1 299.361 3.617 20 0 CHADMN CCO[C@@H](CNCc1cccc(F)c1F)c1ccccc1 ZINC000568716384 334837558 /nfs/dbraw/zinc/83/75/58/334837558.db2.gz ROCDTLUJVKQUJE-INIZCTEOSA-N 0 1 291.341 3.832 20 0 CHADMN CC1(C)CCC[C@H](CN[C@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000569071943 334853959 /nfs/dbraw/zinc/85/39/59/334853959.db2.gz AXMICABZXSLSGJ-HOCLYGCPSA-N 0 1 298.434 3.700 20 0 CHADMN COc1cc2c(cc1Cl)CN(CC1(C)CC1)CC2 ZINC000576367781 335195581 /nfs/dbraw/zinc/19/55/81/335195581.db2.gz XBQHETQLBIABTD-UHFFFAOYSA-N 0 1 265.784 3.507 20 0 CHADMN FC(F)(F)C[C@H]1CCC[N@@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000580540431 335199643 /nfs/dbraw/zinc/19/96/43/335199643.db2.gz UTHRSNVQOQQRLX-GFCCVEGCSA-N 0 1 297.324 3.727 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000576405822 335199794 /nfs/dbraw/zinc/19/97/94/335199794.db2.gz USSDWUMLVSJCIB-GLQYFDAESA-N 0 1 291.391 3.687 20 0 CHADMN CC(F)(F)CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000576534350 335216677 /nfs/dbraw/zinc/21/66/77/335216677.db2.gz HFFMYQQTGFKKRV-UHFFFAOYSA-N 0 1 293.317 3.814 20 0 CHADMN CC[C@H](F)CN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000576624557 335227176 /nfs/dbraw/zinc/22/71/76/335227176.db2.gz ABPKDCJZIBCADX-LBPRGKRZSA-N 0 1 294.345 3.894 20 0 CHADMN Cc1ccc(C[N@@H+](C)CC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000576761331 335244904 /nfs/dbraw/zinc/24/49/04/335244904.db2.gz JFFIQWAJGGXUFE-SFHVURJKSA-N 0 1 297.398 3.685 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC2(CC(=O)[O-])CC2)o1 ZINC000576950788 335268488 /nfs/dbraw/zinc/26/84/88/335268488.db2.gz NSTGXOCIYVNNTM-OCCSQVGLSA-N 0 1 291.391 3.616 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CCCCC(=O)[O-])C2CC2)o1 ZINC000580574639 335288034 /nfs/dbraw/zinc/28/80/34/335288034.db2.gz FKXZWWGBBZRQRJ-DOMZBBRYSA-N 0 1 291.391 3.622 20 0 CHADMN C[C@H]1CCC[C@H](c2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000580659790 335314981 /nfs/dbraw/zinc/31/49/81/335314981.db2.gz SDBMJCFAWYBRAB-JQWIXIFHSA-N 0 1 282.347 3.907 20 0 CHADMN C[C@H]1CCC[C@@H](c2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000580659789 335315022 /nfs/dbraw/zinc/31/50/22/335315022.db2.gz SDBMJCFAWYBRAB-CMPLNLGQSA-N 0 1 282.347 3.907 20 0 CHADMN Cc1ccc(C)c([C@H](C)N[C@@H]2C[C@H](C)n3ccnc32)c1 ZINC000345344953 335316517 /nfs/dbraw/zinc/31/65/17/335316517.db2.gz BETXMIRYVMCVBM-OFQRWUPVSA-N 0 1 269.392 3.857 20 0 CHADMN O=C([O-])CCC[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000577176972 335316664 /nfs/dbraw/zinc/31/66/64/335316664.db2.gz XXYKMVLAFRGFRY-AWEZNQCLSA-N 0 1 281.783 3.732 20 0 CHADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000577184190 335318531 /nfs/dbraw/zinc/31/85/31/335318531.db2.gz LNYZCQSLDAAHNC-HIFRSBDPSA-N 0 1 287.384 3.711 20 0 CHADMN C(=C\[C@@H]1CCCCCN1Cc1cnccn1)\c1ccccc1 ZINC000577705085 335390440 /nfs/dbraw/zinc/39/04/40/335390440.db2.gz CJTCMFXLUYDPID-GDWUOILNSA-N 0 1 293.414 3.935 20 0 CHADMN CCCC1CCC(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000577751981 335397609 /nfs/dbraw/zinc/39/76/09/335397609.db2.gz YESWLZIINWQITM-PRLABOORSA-N 0 1 281.440 3.636 20 0 CHADMN Cc1cccc([C@@H](C)N[C@H](CO)c2ccsc2)c1C ZINC000349428328 335467339 /nfs/dbraw/zinc/46/73/39/335467339.db2.gz YTTBPSXCYNCWRF-CZUORRHYSA-N 0 1 275.417 3.749 20 0 CHADMN CCCCO[C@H]1C[C@H](NCc2ncc(C)s2)C1(C)C ZINC000181825599 335786993 /nfs/dbraw/zinc/78/69/93/335786993.db2.gz LJDXXDGXSDBLMV-STQMWFEESA-N 0 1 282.453 3.525 20 0 CHADMN C[C@@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1nccn1C ZINC000182224966 335804958 /nfs/dbraw/zinc/80/49/58/335804958.db2.gz YCALGYDCWMQPQZ-ABAIWWIYSA-N 0 1 289.810 3.875 20 0 CHADMN CC[C@@H](C)NC(=O)CN[C@@H](c1ccccc1Cl)C(C)C ZINC000183698475 335901987 /nfs/dbraw/zinc/90/19/87/335901987.db2.gz SNGMGMDXCQCDFD-MLGOLLRUSA-N 0 1 296.842 3.541 20 0 CHADMN CO[C@@]1(C)C[C@@H](NCc2ncc(C(C)C)s2)C1(C)C ZINC000183832993 335908775 /nfs/dbraw/zinc/90/87/75/335908775.db2.gz NYNJREKOXQHJHV-DOMZBBRYSA-N 0 1 282.453 3.560 20 0 CHADMN CO[C@]1(C)C[C@@H](NCc2ncc(C(C)C)s2)C1(C)C ZINC000183832964 335908784 /nfs/dbraw/zinc/90/87/84/335908784.db2.gz NYNJREKOXQHJHV-IUODEOHRSA-N 0 1 282.453 3.560 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1cc(C(C)(C)C)on1 ZINC000581160332 336016957 /nfs/dbraw/zinc/01/69/57/336016957.db2.gz JAHMBVSZFDGQRJ-TXEJJXNPSA-N 0 1 250.386 3.735 20 0 CHADMN Cc1oc([C@@H](C)[N@@H+](C)Cc2cccs2)cc1C(=O)[O-] ZINC000581255909 336033100 /nfs/dbraw/zinc/03/31/00/336033100.db2.gz JSESUDAHBWCPKY-SECBINFHSA-N 0 1 279.361 3.541 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC3(CCCCC3)C2)s1 ZINC000581315863 336046970 /nfs/dbraw/zinc/04/69/70/336046970.db2.gz WICLCDGWWHGQNW-UHFFFAOYSA-N 0 1 293.432 3.993 20 0 CHADMN CCC[C@H](CN[C@H](c1ccco1)c1ccccc1)OC ZINC000381240000 336056353 /nfs/dbraw/zinc/05/63/53/336056353.db2.gz RSELIIBYKCDTAA-WBVHZDCISA-N 0 1 273.376 3.774 20 0 CHADMN CCCN(Cc1ccc(F)cc1F)C[C@@H]1CCCCO1 ZINC000195682531 336058431 /nfs/dbraw/zinc/05/84/31/336058431.db2.gz YTSJPHALZQYQSW-HNNXBMFYSA-N 0 1 283.362 3.746 20 0 CHADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC000381527189 336067411 /nfs/dbraw/zinc/06/74/11/336067411.db2.gz OJSPILNCPHLUAV-WDEREUQCSA-N 0 1 281.783 3.659 20 0 CHADMN COC(=O)c1cccc(CN2CCC(C)(C)CC2)c1Cl ZINC000381586437 336069046 /nfs/dbraw/zinc/06/90/46/336069046.db2.gz CREBOAIDPKQDKP-UHFFFAOYSA-N 0 1 295.810 3.749 20 0 CHADMN COC(=O)c1cccc(CN2[C@H](C)CCC[C@H]2C)c1Cl ZINC000381602334 336069250 /nfs/dbraw/zinc/06/92/50/336069250.db2.gz GOPBOECOXMFGTI-VXGBXAGGSA-N 0 1 295.810 3.890 20 0 CHADMN CCc1nc(CNC[C@H]2CCCCC2(F)F)cs1 ZINC000382043555 336080588 /nfs/dbraw/zinc/08/05/88/336080588.db2.gz DRSDNHLTLAJZGH-SNVBAGLBSA-N 0 1 274.380 3.621 20 0 CHADMN Brc1ccc(CN2CCC[C@@H]3CCC[C@H]32)o1 ZINC000382126591 336082179 /nfs/dbraw/zinc/08/21/79/336082179.db2.gz VJFHKBUFQSKLEP-CMPLNLGQSA-N 0 1 284.197 3.807 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cccc([O-])c2Cl)CC[C@@H]1C ZINC000383168462 336105328 /nfs/dbraw/zinc/10/53/28/336105328.db2.gz NFGSVBPAEQXXDT-QWRGUYRKSA-N 0 1 253.773 3.524 20 0 CHADMN C[C@H]1C[N@H+](Cc2cccc([O-])c2Cl)CC[C@@H]1C ZINC000383168462 336105329 /nfs/dbraw/zinc/10/53/29/336105329.db2.gz NFGSVBPAEQXXDT-QWRGUYRKSA-N 0 1 253.773 3.524 20 0 CHADMN CS[C@@H]1CCC[C@@H](Nc2ccnc(C)c2Cl)C1 ZINC000383490565 336110483 /nfs/dbraw/zinc/11/04/83/336110483.db2.gz ATBGQHFIWLISDK-GHMZBOCLSA-N 0 1 270.829 3.551 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](CCC)Cc1ccccc1 ZINC000383813261 336118063 /nfs/dbraw/zinc/11/80/63/336118063.db2.gz PZWVJDYZMXIYEF-HNNXBMFYSA-N 0 1 263.381 3.542 20 0 CHADMN CC(C)[C@H]1N(Cc2ccc(F)cc2F)CC12CCOCC2 ZINC000581654555 336118731 /nfs/dbraw/zinc/11/87/31/336118731.db2.gz OOVXQMGKCVOWCL-MRXNPFEDSA-N 0 1 295.373 3.602 20 0 CHADMN CCc1nc([C@H](C)N[C@H]2CC[C@H](C)c3ccsc32)n[nH]1 ZINC000581708358 336132629 /nfs/dbraw/zinc/13/26/29/336132629.db2.gz DCHMTDBPNIMHNN-NHCYSSNCSA-N 0 1 290.436 3.718 20 0 CHADMN C[C@@H](NCc1cccc(O)c1Cl)c1ccccc1 ZINC000385594051 336152291 /nfs/dbraw/zinc/15/22/91/336152291.db2.gz JITHKOXNQRWTNE-LLVKDONJSA-N 0 1 261.752 3.896 20 0 CHADMN C[C@@H](O)[C@@H](NCc1cccc(C2CC2)c1)c1ccccc1F ZINC000581888339 336160412 /nfs/dbraw/zinc/16/04/12/336160412.db2.gz BIWAKBJBIZBHJL-BFUOFWGJSA-N 0 1 299.389 3.915 20 0 CHADMN O=S(=O)(Nc1cccc2ccsc21)c1ccccc1 ZINC000386680451 336176975 /nfs/dbraw/zinc/17/69/75/336176975.db2.gz XAYLTPBMUMBBPO-UHFFFAOYSA-N 0 1 289.381 3.702 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2CCCC[C@H]2C2CC2)n1 ZINC000582002575 336188939 /nfs/dbraw/zinc/18/89/39/336188939.db2.gz SVYFQYIYBIDYED-MJBXVCDLSA-N 0 1 277.412 3.799 20 0 CHADMN CC[C@H](C)[N@@H+](CCCCCC(=O)[O-])Cc1ccccc1 ZINC000387297237 336191143 /nfs/dbraw/zinc/19/11/43/336191143.db2.gz XXRBUHXRHZAURW-HNNXBMFYSA-N 0 1 277.408 3.932 20 0 CHADMN CCCC[C@H](CC)c1nc([C@H](N)CC(C)C)no1 ZINC000339394815 521182113 /nfs/dbraw/zinc/18/21/13/521182113.db2.gz PANUTHCVQAWWGU-NWDGAFQWSA-N 0 1 253.390 3.799 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCS[C@H](C)[C@@H]2C)o1 ZINC000353852436 533743112 /nfs/dbraw/zinc/74/31/12/533743112.db2.gz CSUKHCCOYLABID-CZXHOFHRSA-N 0 1 265.422 3.729 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1csc2ccccc12 ZINC000111312617 522076023 /nfs/dbraw/zinc/07/60/23/522076023.db2.gz UHRSRQUSZRLZJF-LLVKDONJSA-N 0 1 277.389 3.586 20 0 CHADMN CS[C@@H](C)CCC(=O)Nc1cc(F)cc(Cl)c1O ZINC000353889599 533904052 /nfs/dbraw/zinc/90/40/52/533904052.db2.gz ANBRVHANODMHFD-ZETCQYMHSA-N 0 1 291.775 3.655 20 0 CHADMN Cc1ccc(CN(Cc2ccnc(C)n2)C(C)C)s1 ZINC000350698364 533907151 /nfs/dbraw/zinc/90/71/51/533907151.db2.gz DOZDYVDKSPYDBA-UHFFFAOYSA-N 0 1 275.421 3.566 20 0 CHADMN C[C@H](NCc1ccoc1)c1nccc2ccccc21 ZINC000353413059 533937417 /nfs/dbraw/zinc/93/74/17/533937417.db2.gz OCFMDMATIQVFQB-LBPRGKRZSA-N 0 1 252.317 3.679 20 0 CHADMN C[C@H](N[C@H]1CCc2ccccc21)c1ccncc1F ZINC000335905315 534014066 /nfs/dbraw/zinc/01/40/66/534014066.db2.gz RUZAAQAWUNFHNB-ZBEGNZNMSA-N 0 1 256.324 3.559 20 0 CHADMN COC(=O)c1ccc(Cl)c(CN2CCCC3(CC3)C2)c1 ZINC000352278431 534158387 /nfs/dbraw/zinc/15/83/87/534158387.db2.gz AMIWCUCPPGJQLC-UHFFFAOYSA-N 0 1 293.794 3.503 20 0 CHADMN CC[C@H](N[C@H]1CCC[C@@H]1F)c1cc(C)ccc1OC ZINC000340528838 517829323 /nfs/dbraw/zinc/82/93/23/517829323.db2.gz ZNWNPZQJKLTKHS-KKUMJFAQSA-N 0 1 265.372 3.935 20 0 CHADMN Cc1cc(CNCc2ccccc2Cl)cc(C)n1 ZINC000421369954 518187176 /nfs/dbraw/zinc/18/71/76/518187176.db2.gz CUWRFEDCDCAXBN-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN Cc1ccn2cc(CNCc3ccc4occc4c3)nc2c1 ZINC000352768102 534366125 /nfs/dbraw/zinc/36/61/25/534366125.db2.gz FAVDZDRUNZABNV-UHFFFAOYSA-N 0 1 291.354 3.679 20 0 CHADMN O=C(CCCc1cccs1)Nc1ccc2nc[nH]c2c1 ZINC000352624625 534380715 /nfs/dbraw/zinc/38/07/15/534380715.db2.gz ALWRYASUHHKNIZ-UHFFFAOYSA-N 0 1 285.372 3.586 20 0 CHADMN CC(C)(C)c1ccc(NC(=O)[C@](C)(N)c2ccccc2)cc1 ZINC000236590805 519035838 /nfs/dbraw/zinc/03/58/38/519035838.db2.gz MRHHYMRSPUKYRQ-LJQANCHMSA-N 0 1 296.414 3.797 20 0 CHADMN CC(C)(C)c1[nH]ncc1C(=O)Nc1cnc2ccccc2c1 ZINC000338682635 519088857 /nfs/dbraw/zinc/08/88/57/519088857.db2.gz CQGIZLJKJREMDS-UHFFFAOYSA-N 0 1 294.358 3.508 20 0 CHADMN CC(C)(C)n1cc(CNC(C)(C)c2ccccc2F)cn1 ZINC000291671584 519158443 /nfs/dbraw/zinc/15/84/43/519158443.db2.gz GMWRVYXFSDBHDE-UHFFFAOYSA-N 0 1 289.398 3.802 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H](C)CC2CCCC2)n1 ZINC000339391189 519234678 /nfs/dbraw/zinc/23/46/78/519234678.db2.gz XLBJQCLDXCCZNI-WCQYABFASA-N 0 1 265.401 3.799 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H]2CCCc3ccccc32)n1 ZINC000339389228 519236186 /nfs/dbraw/zinc/23/61/86/519236186.db2.gz DTPMBQJAPZZJKR-HUUCEWRRSA-N 0 1 285.391 3.584 20 0 CHADMN CC(C)C[C@H](N)c1noc(/C=C\c2c(F)cccc2F)n1 ZINC000339384343 519373312 /nfs/dbraw/zinc/37/33/12/519373312.db2.gz FCUULCZHMPYMMU-FWWRYZNZSA-N 0 1 293.317 3.564 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H](C)c2cccc(Cl)c2)n1 ZINC000339388726 519377577 /nfs/dbraw/zinc/37/75/77/519377577.db2.gz JDYYFLHYCWILOE-GWCFXTLKSA-N 0 1 293.798 3.921 20 0 CHADMN CC(C)C1(N[C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000293172302 519556342 /nfs/dbraw/zinc/55/63/42/519556342.db2.gz WHFFCWNFYGCXGA-GFCCVEGCSA-N 0 1 271.364 3.576 20 0 CHADMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccccc2)cc1 ZINC000037995223 519637681 /nfs/dbraw/zinc/63/76/81/519637681.db2.gz KVDFQFQWYQSZEE-UHFFFAOYSA-N 0 1 283.371 3.649 20 0 CHADMN CC(C)CCCN[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000338454584 519642238 /nfs/dbraw/zinc/64/22/38/519642238.db2.gz JDHHUKBCKCRJMD-CYBMUJFWSA-N 0 1 265.401 3.670 20 0 CHADMN CC(C)N(Cc1cccs1)C(=O)c1[nH]nc2ccccc21 ZINC000070287312 519661565 /nfs/dbraw/zinc/66/15/65/519661565.db2.gz NYIFMRPCIDOPHX-UHFFFAOYSA-N 0 1 299.399 3.675 20 0 CHADMN CC(C)CC[C@H]1CCCN1Cc1ncc(C2CC2)o1 ZINC000340691412 519694171 /nfs/dbraw/zinc/69/41/71/519694171.db2.gz MCHMXNLHHMHZKZ-CQSZACIVSA-N 0 1 262.397 3.953 20 0 CHADMN CC(C)Oc1ccc([C@@H](C)NCc2ccco2)cc1 ZINC000021967227 519781472 /nfs/dbraw/zinc/78/14/72/519781472.db2.gz RFUDMCKUHBSDNV-CYBMUJFWSA-N 0 1 259.349 3.918 20 0 CHADMN CC(C)Oc1cccc([C@H](C)NCc2cncc(F)c2)c1 ZINC000275205576 519783661 /nfs/dbraw/zinc/78/36/61/519783661.db2.gz RGANGIRMTYCBJR-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN CC(C)[C@@H](NCc1cc[nH]n1)c1ccc(C(F)(F)F)cc1 ZINC000130349185 519799134 /nfs/dbraw/zinc/79/91/34/519799134.db2.gz YGKAWNPQYOJLDU-CQSZACIVSA-N 0 1 297.324 3.915 20 0 CHADMN CC(C)c1cc(C(=O)N(C)[C@@H](C)c2ccccc2F)n[nH]1 ZINC000052487356 519831229 /nfs/dbraw/zinc/83/12/29/519831229.db2.gz FKWIJDHACMGQDD-NSHDSACASA-N 0 1 289.354 3.505 20 0 CHADMN CC(C)c1cc(C(=O)N(Cc2cccs2)C(C)C)n[nH]1 ZINC000299178521 519831279 /nfs/dbraw/zinc/83/12/79/519831279.db2.gz ZANYRPSHQOUQGT-UHFFFAOYSA-N 0 1 291.420 3.645 20 0 CHADMN CC(C)c1cc(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)n[nH]1 ZINC000115452462 519831885 /nfs/dbraw/zinc/83/18/85/519831885.db2.gz SWALALVXISJPHH-ZFWWWQNUSA-N 0 1 297.402 3.551 20 0 CHADMN CC(C)c1ccc(CNCc2cn3ccccc3n2)cc1 ZINC000044290031 519836353 /nfs/dbraw/zinc/83/63/53/519836353.db2.gz CUVCONHXZKLAPR-UHFFFAOYSA-N 0 1 279.387 3.748 20 0 CHADMN CC(C)c1ccc(N(C)C(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000268759129 519836506 /nfs/dbraw/zinc/83/65/06/519836506.db2.gz PNOMLWWPODATLX-HNNXBMFYSA-N 0 1 297.402 3.616 20 0 CHADMN CCC1CCC(N(C)Cc2csc(C)n2)CC1 ZINC000340695821 519853550 /nfs/dbraw/zinc/85/35/50/519853550.db2.gz JYHFUXZSFHGEQJ-UHFFFAOYSA-N 0 1 252.427 3.852 20 0 CHADMN CC(C)c1csc(CNC2CC(OC(C)(C)C)C2)n1 ZINC000156634087 519854874 /nfs/dbraw/zinc/85/48/74/519854874.db2.gz LOIXKYDMLTWWBI-UHFFFAOYSA-N 0 1 282.453 3.702 20 0 CHADMN CC(C)c1nc(CN2CC[C@H]2c2ccc(Cl)cc2)n[nH]1 ZINC000292541069 519863317 /nfs/dbraw/zinc/86/33/17/519863317.db2.gz PXZOMPOQAFDDQN-ZDUSSCGKSA-N 0 1 290.798 3.529 20 0 CHADMN CC(C)c1nc(CN[C@@H](C)c2ccc(F)c(Cl)c2)n[nH]1 ZINC000293127862 519863564 /nfs/dbraw/zinc/86/35/64/519863564.db2.gz LBJPMBZBRIHFQP-VIFPVBQESA-N 0 1 296.777 3.571 20 0 CHADMN CC(C)n1cc(CN[C@@H]2CCCc3ccc(F)cc32)cn1 ZINC000279938423 519957527 /nfs/dbraw/zinc/95/75/27/519957527.db2.gz YPVNDUMKOIZDDF-QGZVFWFLSA-N 0 1 287.382 3.770 20 0 CHADMN CC(C)n1cc(CN[C@@H]2c3ccccc3CCC[C@H]2C)nn1 ZINC000290201907 519960432 /nfs/dbraw/zinc/96/04/32/519960432.db2.gz UVGVRHRRMBZSOO-KDOFPFPSSA-N 0 1 298.434 3.662 20 0 CHADMN CCOCCN[C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000291289938 519969808 /nfs/dbraw/zinc/96/98/08/519969808.db2.gz RSSVLPCACSQCSX-NSHDSACASA-N 0 1 294.395 3.636 20 0 CHADMN CC(C)n1nccc1CN[C@H](C)c1ccc(Cl)cc1 ZINC000279916614 520111115 /nfs/dbraw/zinc/11/11/15/520111115.db2.gz MHKZZTXITXKQFK-GFCCVEGCSA-N 0 1 277.799 3.968 20 0 CHADMN CCCNc1ccc(CNCc2occc2C)cc1 ZINC000277480632 520158997 /nfs/dbraw/zinc/15/89/97/520158997.db2.gz MFEYJTLKWSKLRV-UHFFFAOYSA-N 0 1 258.365 3.700 20 0 CHADMN CC(F)(F)c1ccc(CNCc2cc(O)cc(F)c2)cc1 ZINC000339419533 520169038 /nfs/dbraw/zinc/16/90/38/520169038.db2.gz KIXVQHGUJLASLS-UHFFFAOYSA-N 0 1 295.304 3.933 20 0 CHADMN Fc1ccc(F)c(C[C@@H]2CCCN2Cc2cccnc2)c1 ZINC000418089533 534480907 /nfs/dbraw/zinc/48/09/07/534480907.db2.gz CLGNDUGJWXPMGV-INIZCTEOSA-N 0 1 288.341 3.567 20 0 CHADMN CCCCC[C@@H]1CCCN1C(=O)c1ccc2cncn2c1 ZINC000339961534 520293247 /nfs/dbraw/zinc/29/32/47/520293247.db2.gz XWNINHFDPLNGNJ-OAHLLOKOSA-N 0 1 285.391 3.519 20 0 CHADMN CC1(C)CCC(C(=O)Nc2cccc(-c3nnc[nH]3)c2)CC1 ZINC000151557169 520295915 /nfs/dbraw/zinc/29/59/15/520295915.db2.gz SOHYSAYNIUEAPK-UHFFFAOYSA-N 0 1 298.390 3.627 20 0 CHADMN CCCOc1ccc([C@H](C)N[C@@H](C)c2ccnn2C)cc1 ZINC000278152233 520428940 /nfs/dbraw/zinc/42/89/40/520428940.db2.gz AEWQRAMHNWJUFA-KBPBESRZSA-N 0 1 287.407 3.621 20 0 CHADMN Fc1ccc2c(c1)CCN(Cc1cccc3cccnc31)C2 ZINC000351945284 534498007 /nfs/dbraw/zinc/49/80/07/534498007.db2.gz PDUTZYILFJNPPT-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN Fc1ccc2c(c1)nccc2NCC1CCSCC1 ZINC000354610134 534504520 /nfs/dbraw/zinc/50/45/20/534504520.db2.gz JSPRHPXIUVIRQN-UHFFFAOYSA-N 0 1 276.380 3.929 20 0 CHADMN CCN(CC)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000248244026 520759717 /nfs/dbraw/zinc/75/97/17/520759717.db2.gz KQRJMACGFQXJRE-UHFFFAOYSA-N 0 1 276.405 3.661 20 0 CHADMN CC1=C(C)CN(Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000280684986 520836035 /nfs/dbraw/zinc/83/60/35/520836035.db2.gz HCSUTCBVAYQBGD-UHFFFAOYSA-N 0 1 270.298 3.643 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2ncc(C3CC3)o2)C1 ZINC000340690451 520953150 /nfs/dbraw/zinc/95/31/50/520953150.db2.gz FFIBMYFQYDKENW-INIZCTEOSA-N 0 1 262.397 3.954 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccco2)cc1OC ZINC000035136849 521008741 /nfs/dbraw/zinc/00/87/41/521008741.db2.gz LVJBIAULEVEXIF-GFCCVEGCSA-N 0 1 275.348 3.538 20 0 CHADMN CCCC[C@@H](CC)c1nc([C@@H](N)CC(C)C)no1 ZINC000339394813 521040152 /nfs/dbraw/zinc/04/01/52/521040152.db2.gz PANUTHCVQAWWGU-NEPJUHHUSA-N 0 1 253.390 3.799 20 0 CHADMN CCCC[C@@H](NCc1cc(C)ncn1)c1ccc(OC)cc1 ZINC000293240915 521102560 /nfs/dbraw/zinc/10/25/60/521102560.db2.gz QXKMDZRVHMOHEG-GOSISDBHSA-N 0 1 299.418 3.815 20 0 CHADMN CCN(Cc1ccc(F)cn1)[C@H](C)c1cccc(OC)c1 ZINC000276370350 521315683 /nfs/dbraw/zinc/31/56/83/521315683.db2.gz OFXBAZSOUYIPFY-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN CCN(Cc1ccncc1)Cc1ccc(C)c(F)c1 ZINC000289756272 521421738 /nfs/dbraw/zinc/42/17/38/521421738.db2.gz JKHAFKXEZPNJTG-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN CCOc1cccc([C@H](C)NCc2ccnn2C(C)C)c1 ZINC000279772253 521423489 /nfs/dbraw/zinc/42/34/89/521423489.db2.gz BEVGBRPZUPYCCL-AWEZNQCLSA-N 0 1 287.407 3.714 20 0 CHADMN CCN(Cc1nc(-c2ccccc2)oc1C)C[C@H](C)OC ZINC000291150505 521445999 /nfs/dbraw/zinc/44/59/99/521445999.db2.gz DQHRHOCKRHJLQT-ZDUSSCGKSA-N 0 1 288.391 3.507 20 0 CHADMN CCCc1csc(CNCC2(C(F)(F)F)CCC2)n1 ZINC000353105676 521453717 /nfs/dbraw/zinc/45/37/17/521453717.db2.gz BOUNMKKEXILKNP-UHFFFAOYSA-N 0 1 292.370 3.918 20 0 CHADMN CCN(Cc1ncnn1-c1ccccc1)[C@@H]1CCCC[C@@H]1C ZINC000337207670 521461631 /nfs/dbraw/zinc/46/16/31/521461631.db2.gz PAHTVWCWZLKKFS-DOTOQJQBSA-N 0 1 298.434 3.668 20 0 CHADMN CCOc1ccccc1CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000121764288 521505153 /nfs/dbraw/zinc/50/51/53/521505153.db2.gz WNKFWCPKURENBJ-ZDUSSCGKSA-N 0 1 299.370 3.665 20 0 CHADMN CCOc1ccccc1[C@H](CC(C)C)NCc1c[nH]cn1 ZINC000072756832 521585694 /nfs/dbraw/zinc/58/56/94/521585694.db2.gz VEMNMNHSQQRUDR-INIZCTEOSA-N 0 1 287.407 3.685 20 0 CHADMN CCOc1ccccc1[C@H](CC(C)C)NCc1cnc[nH]1 ZINC000072756832 521585697 /nfs/dbraw/zinc/58/56/97/521585697.db2.gz VEMNMNHSQQRUDR-INIZCTEOSA-N 0 1 287.407 3.685 20 0 CHADMN CCCN(CC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000078707641 521614840 /nfs/dbraw/zinc/61/48/40/521614840.db2.gz BUBNQSYHWXWTGA-UHFFFAOYSA-N 0 1 279.771 3.622 20 0 CHADMN CCOc1ncccc1CN[C@H]1c2ccccc2C[C@H]1C ZINC000151189951 521621190 /nfs/dbraw/zinc/62/11/90/521621190.db2.gz YXKCPCQSRBASTH-CXAGYDPISA-N 0 1 282.387 3.503 20 0 CHADMN CCOc1ncccc1CN[C@H]1CCc2ccc(C)cc21 ZINC000151207399 521621384 /nfs/dbraw/zinc/62/13/84/521621384.db2.gz SBZFLBBQMWTZJB-KRWDZBQOSA-N 0 1 282.387 3.566 20 0 CHADMN CCC[N@@H+](CCCC(=O)[O-])Cc1c(F)cccc1Cl ZINC000262173611 521651553 /nfs/dbraw/zinc/65/15/53/521651553.db2.gz CVNWPPIDDVZBGE-UHFFFAOYSA-N 0 1 287.762 3.556 20 0 CHADMN CCOC1CC(N[C@@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000279643024 521651811 /nfs/dbraw/zinc/65/18/11/521651811.db2.gz JKQWMJLIGCHGOE-TVPLGVNVSA-N 0 1 296.414 3.637 20 0 CHADMN CCOCC(C)(C)NCc1nc(-c2ccccc2)cs1 ZINC000293291813 521670875 /nfs/dbraw/zinc/67/08/75/521670875.db2.gz OVOVYFOGVSZRMD-UHFFFAOYSA-N 0 1 290.432 3.715 20 0 CHADMN CCCN(CCc1ccccn1)Cc1cccnc1Cl ZINC000289662125 521672783 /nfs/dbraw/zinc/67/27/83/521672783.db2.gz CVOJFIWPSRVIPH-UHFFFAOYSA-N 0 1 289.810 3.585 20 0 CHADMN CCC1(CC)Oc2ccc(NCc3[nH]ncc3C)cc2O1 ZINC000289483027 521691957 /nfs/dbraw/zinc/69/19/57/521691957.db2.gz KDPBDBNUDWHQQT-UHFFFAOYSA-N 0 1 287.363 3.618 20 0 CHADMN CCSCCNCc1nc(-c2ccccc2F)cs1 ZINC000291561230 521708195 /nfs/dbraw/zinc/70/81/95/521708195.db2.gz NCESJMMCGUZWAS-UHFFFAOYSA-N 0 1 296.436 3.792 20 0 CHADMN Cc1occc1CN[C@H]1CCCOc2cc(F)ccc21 ZINC000335979104 534584592 /nfs/dbraw/zinc/58/45/92/534584592.db2.gz JRFFEHUBQHIHKU-HNNXBMFYSA-N 0 1 275.323 3.731 20 0 CHADMN CCSc1cccc(CNCc2c(C)onc2CC)c1 ZINC000292985020 521757154 /nfs/dbraw/zinc/75/71/54/521757154.db2.gz NMKXVYICTKVJOF-UHFFFAOYSA-N 0 1 290.432 3.947 20 0 CHADMN CCSc1cccc(F)c1NC(=O)c1c(C)noc1C ZINC000291427242 521762274 /nfs/dbraw/zinc/76/22/74/521762274.db2.gz AACCFMFAHROKCM-UHFFFAOYSA-N 0 1 294.351 3.795 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2cccc(Cl)c2)n[nH]1 ZINC000277549095 522051626 /nfs/dbraw/zinc/05/16/26/522051626.db2.gz ZYBRPQBQUAYARA-QWRGUYRKSA-N 0 1 292.814 3.822 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2ccccc2Cl)n[nH]1 ZINC000277055886 522053517 /nfs/dbraw/zinc/05/35/17/522053517.db2.gz BCGMHSNGFRWRNJ-WDEREUQCSA-N 0 1 292.814 3.822 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2cccc(F)c2)n[nH]1 ZINC000277382088 522053684 /nfs/dbraw/zinc/05/36/84/522053684.db2.gz XQJDVFDCSOVGCP-SDDRHHMPSA-N 0 1 290.386 3.869 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)Nc2nc3cc(C)ccc3o2)n[nH]1 ZINC000276759599 522056482 /nfs/dbraw/zinc/05/64/82/522056482.db2.gz ACQMKCJNOSWACU-QWRGUYRKSA-N 0 1 299.378 3.941 20 0 CHADMN COC(=O)c1ccc([C@H](C)N[C@H](C)c2ccccc2C)o1 ZINC000223597200 522168739 /nfs/dbraw/zinc/16/87/39/522168739.db2.gz KPRZWMZAJVYXLZ-OLZOCXBDSA-N 0 1 287.359 3.786 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2CCCc3cc(F)ccc32)o1 ZINC000291946588 522207849 /nfs/dbraw/zinc/20/78/49/522207849.db2.gz QIRWVLFZTBBWOO-OAHLLOKOSA-N 0 1 288.366 3.852 20 0 CHADMN CCc1nc(C)c([C@@H](C)N(C)CCC(F)(F)F)s1 ZINC000265983760 522218746 /nfs/dbraw/zinc/21/87/46/522218746.db2.gz GVHSKRZMDJWIIR-SECBINFHSA-N 0 1 280.359 3.959 20 0 CHADMN CN(C)c1ccccc1CN[C@@H]1CCCc2occc21 ZINC000263848570 522290737 /nfs/dbraw/zinc/29/07/37/522290737.db2.gz MFEUQXPYRKNEJP-OAHLLOKOSA-N 0 1 270.376 3.513 20 0 CHADMN CN(C)c1cccnc1CNCc1ccc(C2CCC2)cc1 ZINC000293099520 522300398 /nfs/dbraw/zinc/30/03/98/522300398.db2.gz XRHPSOXOHNJXBJ-UHFFFAOYSA-N 0 1 295.430 3.705 20 0 CHADMN COc1cc(CN(C)[C@H](C)c2ccc(Cl)cc2)ccn1 ZINC000339868336 522360706 /nfs/dbraw/zinc/36/07/06/522360706.db2.gz WTYFVQFICBHUSR-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN COC(=O)c1coc([C@H](C)N[C@H](C)c2ccccc2C)c1 ZINC000278178454 522380016 /nfs/dbraw/zinc/38/00/16/522380016.db2.gz DBZSEQLUSZTZKO-OLZOCXBDSA-N 0 1 287.359 3.786 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2cccc3[nH]ccc32)n[nH]1 ZINC000277407519 522437563 /nfs/dbraw/zinc/43/75/63/522437563.db2.gz LGFIZBHRCDXYEB-VXGBXAGGSA-N 0 1 297.406 3.650 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2cc3ccccc3o2)n[nH]1 ZINC000277148134 522442280 /nfs/dbraw/zinc/44/22/80/522442280.db2.gz FMRXWCZKWKPMFS-NEPJUHHUSA-N 0 1 298.390 3.915 20 0 CHADMN Cc1cnc([C@H](C)N2CCC(c3ccccc3)CC2)o1 ZINC000335947135 534643731 /nfs/dbraw/zinc/64/37/31/534643731.db2.gz ISWKBAFZOZNBLY-AWEZNQCLSA-N 0 1 270.376 3.924 20 0 CHADMN COc1cc(Cl)c(Cl)cc1NCc1cn[nH]c1C ZINC000191677687 522526611 /nfs/dbraw/zinc/52/66/11/522526611.db2.gz FPVIIAQBULNCJY-UHFFFAOYSA-N 0 1 286.162 3.646 20 0 CHADMN CC[C@H](NC(=O)c1[nH]nc(C)c1C)c1ccc(Cl)cc1 ZINC000265233466 522552179 /nfs/dbraw/zinc/55/21/79/522552179.db2.gz OUZPEJIWXFHBRT-ZDUSSCGKSA-N 0 1 291.782 3.561 20 0 CHADMN COc1cc(Cl)ccc1CSc1nc(C2CC2)n[nH]1 ZINC000280006542 522557952 /nfs/dbraw/zinc/55/79/52/522557952.db2.gz SATYQMJBKQJUOI-UHFFFAOYSA-N 0 1 295.795 3.636 20 0 CHADMN COc1cc(Cl)ccc1CSc1n[nH]c(C2CC2)n1 ZINC000280006542 522557957 /nfs/dbraw/zinc/55/79/57/522557957.db2.gz SATYQMJBKQJUOI-UHFFFAOYSA-N 0 1 295.795 3.636 20 0 CHADMN CC[C@@H](CSC)Nc1ccnc2cc(F)ccc21 ZINC000301974503 522616288 /nfs/dbraw/zinc/61/62/88/522616288.db2.gz AVTNIPMTZANDRE-NSHDSACASA-N 0 1 264.369 3.927 20 0 CHADMN CC[C@H](NCc1c(C)noc1C)c1ccc(OC)cc1 ZINC000035012956 522638886 /nfs/dbraw/zinc/63/88/86/522638886.db2.gz AGJVAWYGHZWXPK-INIZCTEOSA-N 0 1 274.364 3.541 20 0 CHADMN CC[C@H](NCc1cn2ccsc2n1)c1ccccc1 ZINC000211896080 522663937 /nfs/dbraw/zinc/66/39/37/522663937.db2.gz YPPUVAJMYFJPEU-AWEZNQCLSA-N 0 1 271.389 3.637 20 0 CHADMN CC[C@H](NCc1nc2ccccc2n1C)c1ccccc1 ZINC000066991522 522670445 /nfs/dbraw/zinc/67/04/45/522670445.db2.gz BEOUXXRFWYSAFF-HNNXBMFYSA-N 0 1 279.387 3.814 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccc(Cl)cn1)c1ccncc1 ZINC000274865590 522696731 /nfs/dbraw/zinc/69/67/31/522696731.db2.gz DTWJHLLPAWFZPO-FZMZJTMJSA-N 0 1 275.783 3.932 20 0 CHADMN COC[C@H](NCc1ccsc1C)c1ccc(F)cc1 ZINC000339289711 522752797 /nfs/dbraw/zinc/75/27/97/522752797.db2.gz GYRSYNUBZQHGTM-HNNXBMFYSA-N 0 1 279.380 3.673 20 0 CHADMN COC[C@H]1CCCN(c2cc(C)nc3ccc(F)cc32)C1 ZINC000125966109 522835416 /nfs/dbraw/zinc/83/54/16/522835416.db2.gz VQSNSFOWJYLTGE-ZDUSSCGKSA-N 0 1 288.366 3.545 20 0 CHADMN CC[C@@H](NCc1ccc(CO)o1)c1ccc(Cl)s1 ZINC000266206825 522874553 /nfs/dbraw/zinc/87/45/53/522874553.db2.gz MWZAOKJQGRZLDP-LLVKDONJSA-N 0 1 285.796 3.728 20 0 CHADMN CC[C@@H](NCc1ccc(C2CC2)cc1F)c1cnn(C)c1 ZINC000293285334 522875185 /nfs/dbraw/zinc/87/51/85/522875185.db2.gz CZVWGIYYYHUHTM-QGZVFWFLSA-N 0 1 287.382 3.678 20 0 CHADMN CC[C@@H](NCc1cnc(C)nc1)c1cccc(Cl)c1 ZINC000339282039 522889222 /nfs/dbraw/zinc/88/92/22/522889222.db2.gz LWUCDWBUIPNHLQ-OAHLLOKOSA-N 0 1 275.783 3.679 20 0 CHADMN CCc1nocc1CN(C)[C@@H]1CCCc2ccccc21 ZINC000293537358 522933619 /nfs/dbraw/zinc/93/36/19/522933619.db2.gz XPSQKKFNBRBQRJ-QGZVFWFLSA-N 0 1 270.376 3.746 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccc(Cl)cn1)c1ccncc1 ZINC000274865588 522935736 /nfs/dbraw/zinc/93/57/36/522935736.db2.gz DTWJHLLPAWFZPO-BXUZGUMPSA-N 0 1 275.783 3.932 20 0 CHADMN CCc1nocc1CNCc1c(C)oc2ccccc21 ZINC000339354498 522946516 /nfs/dbraw/zinc/94/65/16/522946516.db2.gz HOKVKRVKPCFFLX-UHFFFAOYSA-N 0 1 270.332 3.581 20 0 CHADMN COCc1ccc(CN2Cc3ccccc3O[C@@H](C)C2)cc1 ZINC000339211954 522977518 /nfs/dbraw/zinc/97/75/18/522977518.db2.gz KCWJILZFNBNHEY-HNNXBMFYSA-N 0 1 297.398 3.616 20 0 CHADMN CN(CCc1nccs1)c1ccnc2cc(F)ccc21 ZINC000157819965 522994622 /nfs/dbraw/zinc/99/46/22/522994622.db2.gz VLNDYBASPBACIZ-UHFFFAOYSA-N 0 1 287.363 3.509 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@@H](CO)C1 ZINC000275730001 523089467 /nfs/dbraw/zinc/08/94/67/523089467.db2.gz UGCDRGCQVYMDTA-YGRLFVJLSA-N 0 1 288.218 3.759 20 0 CHADMN CCn1cc(CNCc2ccc(C3CCCC3)cc2)cn1 ZINC000291014305 523383033 /nfs/dbraw/zinc/38/30/33/523383033.db2.gz ABXFMXAROHFAFW-UHFFFAOYSA-N 0 1 283.419 3.850 20 0 CHADMN CCn1cc(CN[C@H](C)c2cc3cccc(OC)c3o2)cn1 ZINC000264788231 523388363 /nfs/dbraw/zinc/38/83/63/523388363.db2.gz AFDWSXDAVVAKAV-GFCCVEGCSA-N 0 1 299.374 3.509 20 0 CHADMN CC[C@@H]1CN(Cc2cnns2)CC[C@@H]1c1ccccc1 ZINC000290085815 523454559 /nfs/dbraw/zinc/45/45/59/523454559.db2.gz QZUQEDKGQSYQDI-CJNGLKHVSA-N 0 1 287.432 3.554 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc(OC(F)(F)F)cc1 ZINC000130191025 523461962 /nfs/dbraw/zinc/46/19/62/523461962.db2.gz FCVUMQIYQKPKQG-UHFFFAOYSA-N 0 1 296.292 3.612 20 0 CHADMN CN(Cc1ccon1)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000275735132 523485431 /nfs/dbraw/zinc/48/54/31/523485431.db2.gz QAMDBROURZMXMU-IRXDYDNUSA-N 0 1 270.376 3.617 20 0 CHADMN CN(Cc1cncs1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291239872 523504209 /nfs/dbraw/zinc/50/42/09/523504209.db2.gz LCKQWLMDSMZBCQ-MNOVXSKESA-N 0 1 278.343 3.696 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1Cc1ccnn1C(C)C ZINC000337200259 523589844 /nfs/dbraw/zinc/58/98/44/523589844.db2.gz FDAISSJRXGBGFV-QGZVFWFLSA-N 0 1 283.419 3.801 20 0 CHADMN COCCN(C)Cc1ccccc1Oc1ccccc1 ZINC000339931884 523622418 /nfs/dbraw/zinc/62/24/18/523622418.db2.gz KCWIGFBKOACNPU-UHFFFAOYSA-N 0 1 271.360 3.557 20 0 CHADMN COCCN(CCC(F)(F)F)[C@@H](C)c1ccccc1 ZINC000265845091 523692514 /nfs/dbraw/zinc/69/25/14/523692514.db2.gz OSFAONPWOZNCFT-LBPRGKRZSA-N 0 1 275.314 3.648 20 0 CHADMN CCn1nccc1CN[C@H]1CCCc2sc(Cl)cc21 ZINC000291724114 523728935 /nfs/dbraw/zinc/72/89/35/523728935.db2.gz MZKJCYOGDFHBDT-LBPRGKRZSA-N 0 1 295.839 3.785 20 0 CHADMN CCc1c2ccccc2oc1[C@H](C)NCc1ccnn1C ZINC000071138917 523731804 /nfs/dbraw/zinc/73/18/04/523731804.db2.gz MLJNQXYYRVUGSV-LBPRGKRZSA-N 0 1 283.375 3.580 20 0 CHADMN COCCN(Cc1cncc(C)c1)[C@H](C)c1ccccc1 ZINC000276005504 523773430 /nfs/dbraw/zinc/77/34/30/523773430.db2.gz PCZUYFJTNGWMLH-MRXNPFEDSA-N 0 1 284.403 3.600 20 0 CHADMN CCc1ccc(CNCc2cccc(OC)c2OC)cc1 ZINC000069756078 523943503 /nfs/dbraw/zinc/94/35/03/523943503.db2.gz BEAMYBAEUQZEKZ-UHFFFAOYSA-N 0 1 285.387 3.556 20 0 CHADMN CO[C@H]1CCCN([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000363678373 523974114 /nfs/dbraw/zinc/97/41/14/523974114.db2.gz UBBFYBPOEJVROI-OLZOCXBDSA-N 0 1 280.412 3.534 20 0 CHADMN COc1ccc(CN(C)Cc2cccc(Cl)n2)cc1C ZINC000075713635 524006270 /nfs/dbraw/zinc/00/62/70/524006270.db2.gz HFCJGQIGSQIXQJ-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cccc3c2OCO3)cc1 ZINC000036325046 524025721 /nfs/dbraw/zinc/02/57/21/524025721.db2.gz POGDKJNJWYVJLC-CYBMUJFWSA-N 0 1 283.371 3.829 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccccc2COC)o1 ZINC000122126928 524046215 /nfs/dbraw/zinc/04/62/15/524046215.db2.gz OKRNTOXNJSGTTB-ZDUSSCGKSA-N 0 1 273.376 3.839 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(C)oc2C)c(OC)c1 ZINC000044729274 524089206 /nfs/dbraw/zinc/08/92/06/524089206.db2.gz BLHDVUDDNMZZJL-GFCCVEGCSA-N 0 1 289.375 3.764 20 0 CHADMN COc1ccc(CN[C@H](C)c2cccc(F)c2)c(OC)c1 ZINC000020147759 524090551 /nfs/dbraw/zinc/09/05/51/524090551.db2.gz QNQASKUCSZSDJY-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN COc1ccc(CN[C@H](C)c2cccc(O)c2)cc1Cl ZINC000086585439 524090752 /nfs/dbraw/zinc/09/07/52/524090752.db2.gz DLUSOCWFGDEXEH-LLVKDONJSA-N 0 1 291.778 3.905 20 0 CHADMN Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+](C)CCC(=O)[O-] ZINC000037932731 524200043 /nfs/dbraw/zinc/20/00/43/524200043.db2.gz QIBWLHFVSWTWEZ-UHFFFAOYSA-N 0 1 277.408 3.507 20 0 CHADMN C[C@H]1CCN(Cc2nnc(-c3ccccc3Cl)o2)[C@H]1C ZINC000248369839 524301068 /nfs/dbraw/zinc/30/10/68/524301068.db2.gz WTDIBDSAPXCRGF-QWRGUYRKSA-N 0 1 291.782 3.620 20 0 CHADMN C[C@H]1CCN(Cc2sccc2Cl)CCS1 ZINC000338543679 524304144 /nfs/dbraw/zinc/30/41/44/524304144.db2.gz RAOKYNAFDWFIBR-VIFPVBQESA-N 0 1 261.843 3.729 20 0 CHADMN Cc1ccc(CN(C)Cc2ccnc(Cl)c2)s1 ZINC000076341915 524394138 /nfs/dbraw/zinc/39/41/38/524394138.db2.gz KDKNPCWPNHQODT-UHFFFAOYSA-N 0 1 266.797 3.737 20 0 CHADMN Cc1ccc(CN2CCC(OC3CCCCC3)CC2)nc1 ZINC000157307326 524439711 /nfs/dbraw/zinc/43/97/11/524439711.db2.gz HHAJAWZMYOGWHR-UHFFFAOYSA-N 0 1 288.435 3.704 20 0 CHADMN COc1ccccc1CNCc1ccc(OCC2CC2)cc1 ZINC000190665886 524488817 /nfs/dbraw/zinc/48/88/17/524488817.db2.gz DDJFGXNRLPVALA-UHFFFAOYSA-N 0 1 297.398 3.774 20 0 CHADMN C[C@@H]1CCN(CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000299588257 524501283 /nfs/dbraw/zinc/50/12/83/524501283.db2.gz DNFCWYIGLZBSED-OAHLLOKOSA-N 0 1 294.398 3.634 20 0 CHADMN C[C@@H]1CCN(Cc2nnc(-c3ccccc3Cl)o2)[C@H]1C ZINC000248369838 524519689 /nfs/dbraw/zinc/51/96/89/524519689.db2.gz WTDIBDSAPXCRGF-MNOVXSKESA-N 0 1 291.782 3.620 20 0 CHADMN Cc1ccc(CNCc2cn3cccc(C)c3n2)c(C)c1 ZINC000076895311 524586437 /nfs/dbraw/zinc/58/64/37/524586437.db2.gz DBBCVZIRGAVONB-UHFFFAOYSA-N 0 1 279.387 3.549 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cc(F)cc(F)c2)cn1 ZINC000094827492 524603691 /nfs/dbraw/zinc/60/36/91/524603691.db2.gz VZEUVKQQEVYJLW-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN Cc1cc(C2CCN(Cc3sccc3Cl)CC2)n[nH]1 ZINC000338572982 524605852 /nfs/dbraw/zinc/60/58/52/524605852.db2.gz YLNKYYXCPDQWLT-UHFFFAOYSA-N 0 1 295.839 3.813 20 0 CHADMN Cc1cc(C2CCN(Cc3sccc3Cl)CC2)[nH]n1 ZINC000338572982 524605858 /nfs/dbraw/zinc/60/58/58/524605858.db2.gz YLNKYYXCPDQWLT-UHFFFAOYSA-N 0 1 295.839 3.813 20 0 CHADMN C[C@H]1CN(Cc2cc(-c3ccccc3)no2)CCC1(F)F ZINC000289661301 524609350 /nfs/dbraw/zinc/60/93/50/524609350.db2.gz FIHOLQOCHUARMH-LBPRGKRZSA-N 0 1 292.329 3.819 20 0 CHADMN Cc1cc(CN2CCC(Cc3cccc(F)c3)CC2)on1 ZINC000071953312 524674910 /nfs/dbraw/zinc/67/49/10/524674910.db2.gz RVBFVRQAZJRXSV-UHFFFAOYSA-N 0 1 288.366 3.577 20 0 CHADMN Cc1cccc(O[C@H](C)c2nc([C@H](N)CC(C)C)no2)c1 ZINC000339359012 524782621 /nfs/dbraw/zinc/78/26/21/524782621.db2.gz GJHBXRBRGGDABF-TZMCWYRMSA-N 0 1 289.379 3.564 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H]1CCc2c1cccc2O ZINC000036852233 524786468 /nfs/dbraw/zinc/78/64/68/524786468.db2.gz PCWVXMHOAZMQAA-LRDDRELGSA-N 0 1 283.371 3.739 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNCc2cccc(F)c2)o1 ZINC000020473443 524971111 /nfs/dbraw/zinc/97/11/11/524971111.db2.gz JCGQOUGIAHRYJJ-XHDPSFHLSA-N 0 1 259.324 3.832 20 0 CHADMN C[C@@H](N(C)Cc1ncc(C(C)(C)C)o1)C1(C)CC1 ZINC000336719306 524981096 /nfs/dbraw/zinc/98/10/96/524981096.db2.gz VTMMTTLTPWEZCH-LLVKDONJSA-N 0 1 250.386 3.593 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccccn2)cc1OC ZINC000020123677 525160614 /nfs/dbraw/zinc/16/06/14/525160614.db2.gz UQFGLDGHDZEPMG-OLZOCXBDSA-N 0 1 286.375 3.511 20 0 CHADMN C[C@H](NC1CC(F)(F)C1)c1cc(F)c(F)c(F)c1 ZINC000277207859 525288079 /nfs/dbraw/zinc/28/80/79/525288079.db2.gz WFXYHCKYQUHBNB-LURJTMIESA-N 0 1 265.225 3.552 20 0 CHADMN Cc1cc(N[C@@H]2CCOC[C@@H]2C)c2cc(F)ccc2n1 ZINC000277403544 525296096 /nfs/dbraw/zinc/29/60/96/525296096.db2.gz HGJJLTCXRCCPIN-IINYFYTJSA-N 0 1 274.339 3.519 20 0 CHADMN Cc1cc(N[C@H](C)[C@H]2CCOC2)c2cc(F)ccc2n1 ZINC000278657803 525301217 /nfs/dbraw/zinc/30/12/17/525301217.db2.gz FBIGIZPHPPGGDH-NEPJUHHUSA-N 0 1 274.339 3.519 20 0 CHADMN Cc1ccc(OC(F)F)c([C@H](C)NCc2cccnc2)c1 ZINC000151078631 525371911 /nfs/dbraw/zinc/37/19/11/525371911.db2.gz HPBAMRIRZQIFRN-LBPRGKRZSA-N 0 1 292.329 3.842 20 0 CHADMN CSCCCCC(=O)Nc1cc(F)cc(Cl)c1O ZINC000274664449 525408396 /nfs/dbraw/zinc/40/83/96/525408396.db2.gz GZBIYHAUDYOGIG-UHFFFAOYSA-N 0 1 291.775 3.657 20 0 CHADMN C[C@H](NCc1ccc2c(n1)CCCC2)c1cccc(F)c1 ZINC000277628204 525454526 /nfs/dbraw/zinc/45/45/26/525454526.db2.gz OSDWAEUJXPIXQW-ZDUSSCGKSA-N 0 1 284.378 3.950 20 0 CHADMN C[C@@H](NCC[C@@H](O)c1ccccc1)c1c(F)cccc1F ZINC000299728974 525456057 /nfs/dbraw/zinc/45/60/57/525456057.db2.gz WAARYJASEIHQOO-MLGOLLRUSA-N 0 1 291.341 3.739 20 0 CHADMN Cc1cc([C@@H](C)NC[C@@H](Nc2ccccc2)C(C)C)no1 ZINC000289856689 525462324 /nfs/dbraw/zinc/46/23/24/525462324.db2.gz RLJGKLPLVTUDBR-RHSMWYFYSA-N 0 1 287.407 3.770 20 0 CHADMN Cc1cc([C@@H](C)NCC2(Cc3ccc(F)cc3)CC2)no1 ZINC000284920597 525463890 /nfs/dbraw/zinc/46/38/90/525463890.db2.gz DCOWLNWKOWYGPL-CYBMUJFWSA-N 0 1 288.366 3.796 20 0 CHADMN C[C@H](NCc1ccsc1)c1ccc(Br)cn1 ZINC000279918128 525474583 /nfs/dbraw/zinc/47/45/83/525474583.db2.gz XFCPCADVTAMFME-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN C[C@H](NCc1cncn1C)c1cc2cc(Cl)ccc2o1 ZINC000130263157 525478291 /nfs/dbraw/zinc/47/82/91/525478291.db2.gz JPNNNQLQTOANRI-JTQLQIEISA-N 0 1 289.766 3.671 20 0 CHADMN CSCCN(C)Cc1cscc1C(F)(F)F ZINC000356128164 525494031 /nfs/dbraw/zinc/49/40/31/525494031.db2.gz YFVFCEVMRKKYKR-UHFFFAOYSA-N 0 1 269.357 3.562 20 0 CHADMN Cc1cc([C@H](C)NCCc2nc(C(C)(C)C)cs2)no1 ZINC000289803510 525518557 /nfs/dbraw/zinc/51/85/57/525518557.db2.gz PCCRGUSAVPFFFS-NSHDSACASA-N 0 1 293.436 3.630 20 0 CHADMN Cc1cccnc1CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000071339307 525525740 /nfs/dbraw/zinc/52/57/40/525525740.db2.gz FUZLSWMLYFOZCX-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN C[C@H](N[C@@H](C)[C@@H]1OCCc2sccc21)c1ccco1 ZINC000292008316 525526569 /nfs/dbraw/zinc/52/65/69/525526569.db2.gz YJNSQGMFORHXJX-PGUXBMHVSA-N 0 1 277.389 3.694 20 0 CHADMN C[C@H](N[C@@H](C)c1cc(F)cc(F)c1)c1cccnc1 ZINC000094826217 525529192 /nfs/dbraw/zinc/52/91/92/525529192.db2.gz CQPOLAVPGJAJJV-QWRGUYRKSA-N 0 1 262.303 3.772 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)CCOCc2ccccc2)no1 ZINC000290572975 525529362 /nfs/dbraw/zinc/52/93/62/525529362.db2.gz FJKWKEKAOMBDNB-HIFRSBDPSA-N 0 1 288.391 3.629 20 0 CHADMN C[C@@H](NCc1cncn1C)c1cc2cc(Cl)ccc2o1 ZINC000130263358 525553484 /nfs/dbraw/zinc/55/34/84/525553484.db2.gz JPNNNQLQTOANRI-SNVBAGLBSA-N 0 1 289.766 3.671 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)C1CC1)c1nccs1 ZINC000080265201 525598918 /nfs/dbraw/zinc/59/89/18/525598918.db2.gz GDSGRGCTSCAWFH-SMDDNHRTSA-N 0 1 258.390 3.945 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1cncs1 ZINC000054771046 525626858 /nfs/dbraw/zinc/62/68/58/525626858.db2.gz GEIAFPXMYTYISQ-ZDUSSCGKSA-N 0 1 276.405 3.848 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H](C)C1)c1nc(-c2cccc(F)c2)no1 ZINC000275530583 525629971 /nfs/dbraw/zinc/62/99/71/525629971.db2.gz BPPSKUZAYLWBFC-SUNKGSAMSA-N 0 1 289.354 3.715 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)N2C[C@@H](C)c3ccccc32)c1 ZINC000338671081 525631252 /nfs/dbraw/zinc/63/12/52/525631252.db2.gz FBCPSYZXCDPVMY-GFCCVEGCSA-N 0 1 291.354 3.635 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccc(F)cc2C)c1 ZINC000338644740 525633842 /nfs/dbraw/zinc/63/38/42/525633842.db2.gz WCEKITHKMUSNBY-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2ccccc21)c1nccs1 ZINC000070984364 525639903 /nfs/dbraw/zinc/63/99/03/525639903.db2.gz HZOIXCTUSKGOAF-BXUZGUMPSA-N 0 1 258.390 3.871 20 0 CHADMN C[C@@H](N[C@@H]1CCOC1)c1cc(F)c(Cl)cc1Cl ZINC000131336120 525643360 /nfs/dbraw/zinc/64/33/60/525643360.db2.gz BJBYXTQHVSEDLN-HTQZYQBOSA-N 0 1 278.154 3.572 20 0 CHADMN CSC[C@@H]1CCCN1Cc1cccc(F)c1Cl ZINC000339024164 525660374 /nfs/dbraw/zinc/66/03/74/525660374.db2.gz ONCDHEZBCCLBEF-NSHDSACASA-N 0 1 273.804 3.807 20 0 CHADMN C[C@@H](N[C@@H]1COCc2ccccc21)c1cccs1 ZINC000225981063 525651899 /nfs/dbraw/zinc/65/18/99/525651899.db2.gz DTHSPOCXAYNRBW-BXUZGUMPSA-N 0 1 259.374 3.670 20 0 CHADMN CSCc1ccc(CN[C@H](C)c2ccncc2F)cc1 ZINC000340397230 525731512 /nfs/dbraw/zinc/73/15/12/525731512.db2.gz VCALCMPQEBQKOB-GFCCVEGCSA-N 0 1 290.407 3.935 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc3c(c2)OCO3)o1 ZINC000036960343 525747966 /nfs/dbraw/zinc/74/79/66/525747966.db2.gz NSPOISJUCWSAJN-VXGBXAGGSA-N 0 1 273.332 3.729 20 0 CHADMN Cc1ccncc1CN[C@@H]1CCCOc2cc(F)ccc21 ZINC000280328857 525750198 /nfs/dbraw/zinc/75/01/98/525750198.db2.gz PXBLFHRQLPOOCJ-MRXNPFEDSA-N 0 1 286.350 3.533 20 0 CHADMN C[C@@H](O)CCCN1CCCC[C@H]1c1ccc(F)cc1F ZINC000354707427 525751831 /nfs/dbraw/zinc/75/18/31/525751831.db2.gz KKNNUUUESPQFFO-WBMJQRKESA-N 0 1 283.362 3.653 20 0 CHADMN Cc1ccoc1CNCc1ccc(OCC(F)F)cc1 ZINC000291813957 525803641 /nfs/dbraw/zinc/80/36/41/525803641.db2.gz YMMADWQNVXNRQX-UHFFFAOYSA-N 0 1 281.302 3.522 20 0 CHADMN Cc1ccoc1CN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000266229227 525807259 /nfs/dbraw/zinc/80/72/59/525807259.db2.gz TWIINRBBXVRVBH-CYBMUJFWSA-N 0 1 298.386 3.787 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cc3nnc(C(C)C)o3)C2)c(C)c1 ZINC000280497955 525829646 /nfs/dbraw/zinc/82/96/46/525829646.db2.gz QOJPPOYPFTXTHV-OAHLLOKOSA-N 0 1 299.418 3.799 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccnc(N)c2)o1 ZINC000299212960 525854632 /nfs/dbraw/zinc/85/46/32/525854632.db2.gz HSUBZUPZYZOVAO-DOMZBBRYSA-N 0 1 285.391 3.538 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc(Cn3ccnc3)c2)o1 ZINC000151359949 525927130 /nfs/dbraw/zinc/92/71/30/525927130.db2.gz NZJUVUIVNJZNLK-HNNXBMFYSA-N 0 1 295.386 3.684 20 0 CHADMN Cc1ccc([C@H](C)NCc2n[nH]c(C(C)(C)C)n2)c(C)c1 ZINC000292854720 525931353 /nfs/dbraw/zinc/93/13/53/525931353.db2.gz GJUSHMPVKAZORM-ZDUSSCGKSA-N 0 1 286.423 3.570 20 0 CHADMN Cc1ccc([C@H](NC[C@@H]2CC[C@H](C)O2)c2ccccn2)cc1 ZINC000279982355 525969769 /nfs/dbraw/zinc/96/97/69/525969769.db2.gz IHQPAMBBEKZAPC-IEZWGBDMSA-N 0 1 296.414 3.637 20 0 CHADMN Cc1ccc([C@H](NC[C@H]2CCCCO2)c2ccccn2)cc1 ZINC000279960168 525969794 /nfs/dbraw/zinc/96/97/94/525969794.db2.gz HAPXXVWSYZWPFN-MJGOQNOKSA-N 0 1 296.414 3.638 20 0 CHADMN Cc1cnc(CN2CCCCC[C@@H]2c2ccccc2)nc1 ZINC000340660591 526014358 /nfs/dbraw/zinc/01/43/58/526014358.db2.gz LJRPYEVVSGVGPJ-QGZVFWFLSA-N 0 1 281.403 3.902 20 0 CHADMN Cc1c[nH]nc1CN(Cc1ccc(F)cc1)C(C)(C)C ZINC000290360080 526020143 /nfs/dbraw/zinc/02/01/43/526020143.db2.gz GQUOMQKQXHXRPS-UHFFFAOYSA-N 0 1 275.371 3.658 20 0 CHADMN Cc1cn[nH]c1CN[C@@H](C)c1cccc(Cl)c1Cl ZINC000289433198 526029368 /nfs/dbraw/zinc/02/93/68/526029368.db2.gz DZYKCQPYNZGUEU-VIFPVBQESA-N 0 1 284.190 3.876 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(OCCC(C)C)cc1 ZINC000289660969 526033371 /nfs/dbraw/zinc/03/33/71/526033371.db2.gz YXPHIVCNMJCTOD-UHFFFAOYSA-N 0 1 273.380 3.755 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC([C@@H]2CCOC2)CC1 ZINC000365037057 526034348 /nfs/dbraw/zinc/03/43/48/526034348.db2.gz NIUQOKJQKRTLEU-TZMCWYRMSA-N 0 1 295.373 3.774 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCOCC2(CCC2)C1 ZINC000353611971 526057117 /nfs/dbraw/zinc/05/71/17/526057117.db2.gz BZQOOZZNLMMYEH-GFCCVEGCSA-N 0 1 281.346 3.528 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226454742 526057698 /nfs/dbraw/zinc/05/76/98/526057698.db2.gz XOOLUAZJQRBKPQ-NEPJUHHUSA-N 0 1 297.345 3.603 20 0 CHADMN C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226455367 526063549 /nfs/dbraw/zinc/06/35/49/526063549.db2.gz IJIZDLQOQSPPFW-NEPJUHHUSA-N 0 1 297.345 3.603 20 0 CHADMN Cc1cc(-c2noc(CN3[C@H](C)CC[C@@H]3C)n2)ccc1F ZINC000151839422 526064705 /nfs/dbraw/zinc/06/47/05/526064705.db2.gz AXQDJHKCHBLUPF-TXEJJXNPSA-N 0 1 289.354 3.557 20 0 CHADMN CSc1ccc([C@H](C)NCc2cnoc2C)cc1 ZINC000337231926 526073182 /nfs/dbraw/zinc/07/31/82/526073182.db2.gz XPBNXFFSKSPXRR-JTQLQIEISA-N 0 1 262.378 3.556 20 0 CHADMN CSc1ccc([C@H](C)NCc2conc2C)cc1 ZINC000293344632 526073484 /nfs/dbraw/zinc/07/34/84/526073484.db2.gz SNTOTZROCKQGKZ-JTQLQIEISA-N 0 1 262.378 3.556 20 0 CHADMN CSc1ccc2nc(-c3cnn(C(C)C)c3)[nH]c2c1 ZINC000278219188 526082600 /nfs/dbraw/zinc/08/26/00/526082600.db2.gz JFONCHUYPUTUSF-UHFFFAOYSA-N 0 1 272.377 3.729 20 0 CHADMN C[C@@H](c1ccccc1)N(Cc1cncc(F)c1)C1CC1 ZINC000275178536 526088490 /nfs/dbraw/zinc/08/84/90/526088490.db2.gz ZVAAIZOAJSNPNU-ZDUSSCGKSA-N 0 1 270.351 3.946 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1ccnc(Cl)c1 ZINC000299669809 526090033 /nfs/dbraw/zinc/09/00/33/526090033.db2.gz YCMUQAPOIMRIDW-GFCCVEGCSA-N 0 1 260.768 3.928 20 0 CHADMN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N(C)CC1CC1 ZINC000080722729 526160890 /nfs/dbraw/zinc/16/08/90/526160890.db2.gz XGYIKTWPDBOHHR-JTQLQIEISA-N 0 1 291.782 3.793 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1ccnc(Cl)c1Cl ZINC000290321527 526205478 /nfs/dbraw/zinc/20/54/78/526205478.db2.gz BPIGSVSWTXFNPY-MRVPVSSYSA-N 0 1 259.180 3.619 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000045083890 526364533 /nfs/dbraw/zinc/36/45/33/526364533.db2.gz GMBVLQATMMQDTN-MRXNPFEDSA-N 0 1 273.376 3.539 20 0 CHADMN Oc1cccc2c1CC[C@@H]2N[C@@H]1CCCc2occc21 ZINC000036852578 526367304 /nfs/dbraw/zinc/36/73/04/526367304.db2.gz WSDKBFJIRAODAT-CABCVRRESA-N 0 1 269.344 3.640 20 0 CHADMN Fc1cccc([C@@H]2CCCN2Cc2ccccn2)c1 ZINC000104948266 526398024 /nfs/dbraw/zinc/39/80/24/526398024.db2.gz WBUWMQRYPQYHAY-INIZCTEOSA-N 0 1 256.324 3.558 20 0 CHADMN c1c[nH]c(CN[C@@H](CC2CCCC2)c2ccccc2)n1 ZINC000128902444 526407902 /nfs/dbraw/zinc/40/79/02/526407902.db2.gz SJHCBVIAEQBBEO-INIZCTEOSA-N 0 1 269.392 3.821 20 0 CHADMN Fc1ccccc1[C@@H]1CCN(Cc2ccncc2Cl)C1 ZINC000339376792 526416855 /nfs/dbraw/zinc/41/68/55/526416855.db2.gz LIPDAMFSRVMJTG-GFCCVEGCSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1cscc1CNCc1ccc(Br)cn1 ZINC000087309509 526467800 /nfs/dbraw/zinc/46/78/00/526467800.db2.gz WJNLOJWPMAFBPF-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN c1ccc(C[C@@H]2CCCCN2Cc2nc(C3CC3)no2)cc1 ZINC000299697269 526475592 /nfs/dbraw/zinc/47/55/92/526475592.db2.gz WMPIMTBPWCZLHP-INIZCTEOSA-N 0 1 297.402 3.544 20 0 CHADMN c1ccc([C@@H](NC[C@@H]2CCCS2)c2ccccn2)cc1 ZINC000149624977 526491923 /nfs/dbraw/zinc/49/19/23/526491923.db2.gz HPXZFZLWFOMKOZ-DOTOQJQBSA-N 0 1 284.428 3.656 20 0 CHADMN Cc1noc(C)c1CN[C@@H](C)c1ccc(C)cc1C ZINC000037772235 526516868 /nfs/dbraw/zinc/51/68/68/526516868.db2.gz AEHCRUKUOUHGAL-LBPRGKRZSA-N 0 1 258.365 3.759 20 0 CHADMN Cc1n[nH]c(C)c1[C@H]1CCCCCN1Cc1cncs1 ZINC000290529061 526520936 /nfs/dbraw/zinc/52/09/36/526520936.db2.gz QNELLPXFYIFACF-CQSZACIVSA-N 0 1 290.436 3.600 20 0 CHADMN Cc1n[nH]cc1CN(C)[C@@H](C)c1cccc(Cl)c1 ZINC000130373651 526545828 /nfs/dbraw/zinc/54/58/28/526545828.db2.gz NWIKSRGFPLWLFS-NSHDSACASA-N 0 1 263.772 3.565 20 0 CHADMN CC(C)(C)OCc1cc(CN[C@H]2CCC23CCCC3)no1 ZINC000353323084 526561392 /nfs/dbraw/zinc/56/13/92/526561392.db2.gz ISEMUROMSUKRQA-HNNXBMFYSA-N 0 1 292.423 3.802 20 0 CHADMN c1sc(-c2ccccn2)nc1CN1CCC[C@H](C2CC2)C1 ZINC000289508680 526629346 /nfs/dbraw/zinc/62/93/46/526629346.db2.gz UVWOPNSPCFVHMB-AWEZNQCLSA-N 0 1 299.443 3.827 20 0 CHADMN CC(C)(C)[C@H]1CCCN(C(=O)c2cnc(C3CC3)[nH]2)CC1 ZINC000343624950 526720339 /nfs/dbraw/zinc/72/03/39/526720339.db2.gz NXPPFZPMESWGOK-ZDUSSCGKSA-N 0 1 289.423 3.576 20 0 CHADMN Cc1nc(C)c(CN[C@@H](C)c2cnn(C(C)C)c2C)s1 ZINC000276376784 526724286 /nfs/dbraw/zinc/72/42/86/526724286.db2.gz PLFBZTKTAFOTEH-JTQLQIEISA-N 0 1 292.452 3.697 20 0 CHADMN Cc1nc(CN(CC2CCCCC2)C2CC2)cs1 ZINC000340659970 526847640 /nfs/dbraw/zinc/84/76/40/526847640.db2.gz IQWPPVFLEBCROI-UHFFFAOYSA-N 0 1 264.438 3.996 20 0 CHADMN Cc1nc(CN[C@H](C)c2cccs2)sc1C ZINC000087375575 526894757 /nfs/dbraw/zinc/89/47/57/526894757.db2.gz FMUQQLOPSGFSFA-SECBINFHSA-N 0 1 252.408 3.672 20 0 CHADMN Cc1nc(F)ccc1CNCc1ccc(OC(C)C)cc1 ZINC000278458521 526947002 /nfs/dbraw/zinc/94/70/02/526947002.db2.gz XJHYZRGOYLPGNK-UHFFFAOYSA-N 0 1 288.366 3.606 20 0 CHADMN Clc1cccc(N[C@@H](c2cccs2)c2nnc[nH]2)c1 ZINC000340323857 526980871 /nfs/dbraw/zinc/98/08/71/526980871.db2.gz SNCJPPCWDCMIDJ-LBPRGKRZSA-N 0 1 290.779 3.721 20 0 CHADMN Clc1cccc2c1OC[C@@H]2NCc1cccs1 ZINC000364425315 526983560 /nfs/dbraw/zinc/98/35/60/526983560.db2.gz ICWHXRQYGXCSNR-LBPRGKRZSA-N 0 1 265.765 3.625 20 0 CHADMN Cc1nc([C@@H](C)NCCOc2cccc(Cl)c2)cs1 ZINC000269388336 527030390 /nfs/dbraw/zinc/03/03/90/527030390.db2.gz BPCWMYFKNFVQOZ-SNVBAGLBSA-N 0 1 296.823 3.835 20 0 CHADMN Cc1nc([C@@H](C)NCCCN(C)c2ccccc2)cs1 ZINC000036914439 527031205 /nfs/dbraw/zinc/03/12/05/527031205.db2.gz VCBCDDUNOFDSLE-CYBMUJFWSA-N 0 1 289.448 3.629 20 0 CHADMN NC1(c2noc(-c3cccc4ccccc43)n2)CCCC1 ZINC000041153168 527134858 /nfs/dbraw/zinc/13/48/58/527134858.db2.gz VJGPULRTWRHXBB-UHFFFAOYSA-N 0 1 279.343 3.618 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2C[C@@H](C)CCC[C@@H]2C)[nH]1 ZINC000338575132 527151508 /nfs/dbraw/zinc/15/15/08/527151508.db2.gz WREBAKOXHHJXCJ-RYUDHWBXSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1nc2cccc(C(=O)NCCC3CCCCC3)c2[nH]1 ZINC000338505117 527152110 /nfs/dbraw/zinc/15/21/10/527152110.db2.gz KIULGDPLRZMJOO-UHFFFAOYSA-N 0 1 285.391 3.572 20 0 CHADMN Cc1nc2cccc(C(=O)N3C[C@H](C)c4ccccc43)c2[nH]1 ZINC000338439495 527152560 /nfs/dbraw/zinc/15/25/60/527152560.db2.gz LYBLQBNBPCLUBK-NSHDSACASA-N 0 1 291.354 3.635 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3cc(C)cc(C)c3)c2[nH]1 ZINC000338509292 527155149 /nfs/dbraw/zinc/15/51/49/527155149.db2.gz LMLLUQTWHCKANP-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN Cc1ncc(CN(C)[C@@H](C)c2cccc(C)c2)s1 ZINC000072578522 527251421 /nfs/dbraw/zinc/25/14/21/527251421.db2.gz PMOMDXHEIQFRFF-LBPRGKRZSA-N 0 1 260.406 3.953 20 0 CHADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C1(CCF)CC1 ZINC000290944297 527263704 /nfs/dbraw/zinc/26/37/04/527263704.db2.gz AKSRNWIGDFWUMR-UHFFFAOYSA-N 0 1 297.280 3.579 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2cnc3ccsc3c2)s1 ZINC000085433720 527274939 /nfs/dbraw/zinc/27/49/39/527274939.db2.gz AXFZGDZIZDKGOL-VIFPVBQESA-N 0 1 289.429 3.912 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000336917061 527276188 /nfs/dbraw/zinc/27/61/88/527276188.db2.gz NBQAWJZXFBNVJY-VIFPVBQESA-N 0 1 296.201 3.943 20 0 CHADMN Cn1ccnc1CN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000264382638 527435120 /nfs/dbraw/zinc/43/51/20/527435120.db2.gz PIXHUDKBYSWKFF-INIZCTEOSA-N 0 1 289.810 3.705 20 0 CHADMN Cn1ccnc1CN[C@H]1CC(C)(C)CCc2ccccc21 ZINC000280922848 527438049 /nfs/dbraw/zinc/43/80/49/527438049.db2.gz UFDSXORGKVIELH-INIZCTEOSA-N 0 1 283.419 3.614 20 0 CHADMN Cn1ccnc1[C@H](NCCC(C)(C)C)c1ccc(F)cc1 ZINC000276269033 527464703 /nfs/dbraw/zinc/46/47/03/527464703.db2.gz QSLDPTHJGHSRFN-OAHLLOKOSA-N 0 1 289.398 3.674 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccccc1Cl ZINC000050925117 527596130 /nfs/dbraw/zinc/59/61/30/527596130.db2.gz BSLYUSMTOUGTOG-ZDUSSCGKSA-N 0 1 281.783 3.559 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1nccc2ccccc21 ZINC000289810088 527697149 /nfs/dbraw/zinc/69/71/49/527697149.db2.gz PJQRSDSTKOZURD-TZMCWYRMSA-N 0 1 294.402 3.689 20 0 CHADMN CC(C)[C@H]1CN(Cc2cccc(-c3ccccn3)c2)CCO1 ZINC000353163150 527855960 /nfs/dbraw/zinc/85/59/60/527855960.db2.gz MEVNSSPUFXEUED-LJQANCHMSA-N 0 1 296.414 3.605 20 0 CHADMN CCC[C@@]1(NCc2csc(C3CCCC3)n2)CCOC1 ZINC000352832009 527963160 /nfs/dbraw/zinc/96/31/60/527963160.db2.gz NMUOSGPDFFHHRU-MRXNPFEDSA-N 0 1 294.464 3.850 20 0 CHADMN CCCC1CCC(N(Cc2nc(C)no2)C(C)C)CC1 ZINC000350719293 528071900 /nfs/dbraw/zinc/07/19/00/528071900.db2.gz IIZGWYWNKXCMMI-UHFFFAOYSA-N 0 1 279.428 3.947 20 0 CHADMN CC(C)c1nc(CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cs1 ZINC000344153137 528283048 /nfs/dbraw/zinc/28/30/48/528283048.db2.gz YOZOTJROWZJASF-BFHYXJOUSA-N 0 1 294.464 3.560 20 0 CHADMN CC(C)c1ncc(CN2CCC(OC3CCC3)CC2)s1 ZINC000418094103 528348914 /nfs/dbraw/zinc/34/89/14/528348914.db2.gz RPMVSLRICBTHNK-UHFFFAOYSA-N 0 1 294.464 3.800 20 0 CHADMN CCCC[C@@H](C)NCc1csc([C@H](C)OC)n1 ZINC000344741453 528764682 /nfs/dbraw/zinc/76/46/82/528764682.db2.gz RQGJESWXYSVKQC-MNOVXSKESA-N 0 1 256.415 3.519 20 0 CHADMN CCC(CC)[C@@H]1C[C@H](N[C@H](C)c2cc(C)on2)CCO1 ZINC000353674517 528841939 /nfs/dbraw/zinc/84/19/39/528841939.db2.gz FIWJULQXGGAYMW-XPKDYRNWSA-N 0 1 280.412 3.617 20 0 CHADMN CCN(Cc1ccnn1C)Cc1ccc2ccccc2c1 ZINC000347493185 528863528 /nfs/dbraw/zinc/86/35/28/528863528.db2.gz WMDBOYPLJBQVJF-UHFFFAOYSA-N 0 1 279.387 3.595 20 0 CHADMN CC(C)[C@@]1(CO)CCCN(Cc2cc(F)cc(Cl)c2)C1 ZINC000354569288 528894656 /nfs/dbraw/zinc/89/46/56/528894656.db2.gz OZQZWCQKJNBGED-INIZCTEOSA-N 0 1 299.817 3.710 20 0 CHADMN CC(C)N(Cc1cc(Cl)ccc1Cl)C[C@H](C)O ZINC000353387490 528935823 /nfs/dbraw/zinc/93/58/23/528935823.db2.gz LAYATRXNWNAOOU-JTQLQIEISA-N 0 1 276.207 3.585 20 0 CHADMN CCOC[C@H](NCc1csc(-c2ccco2)n1)C(C)C ZINC000348478281 528993403 /nfs/dbraw/zinc/99/34/03/528993403.db2.gz MAMNTNNLEHFBOU-ZDUSSCGKSA-N 0 1 294.420 3.554 20 0 CHADMN CC[C@H]1CCCN1Cc1ncc(-c2cccs2)o1 ZINC000344454317 529221308 /nfs/dbraw/zinc/22/13/08/529221308.db2.gz VLHXYSOMPYAZNH-NSHDSACASA-N 0 1 262.378 3.778 20 0 CHADMN CC[C@@H](c1ccccc1OC)N(C)Cc1cccc(C)n1 ZINC000347557025 529258675 /nfs/dbraw/zinc/25/86/75/529258675.db2.gz NFRZQXVZHAKDLS-KRWDZBQOSA-N 0 1 284.403 3.982 20 0 CHADMN CC[C@H](C)c1cc(C(=O)Nc2nc3ccc(C)cc3[nH]2)on1 ZINC000344484445 529273915 /nfs/dbraw/zinc/27/39/15/529273915.db2.gz NYWNBYYMVCTYAG-JTQLQIEISA-N 0 1 298.346 3.625 20 0 CHADMN CC[C@H](C)[C@@H](NCc1ncc[nH]1)c1ccc(Cl)cc1 ZINC000341869520 535872145 /nfs/dbraw/zinc/87/21/45/535872145.db2.gz BJJKFBCXLKZTFS-XHDPSFHLSA-N 0 1 277.799 3.940 20 0 CHADMN CCCN(C)Cc1cccc(Cl)c1Br ZINC000669378329 570352107 /nfs/dbraw/zinc/35/21/07/570352107.db2.gz ADELAVMNCORGJY-UHFFFAOYSA-N 0 1 276.605 3.944 20 0 CHADMN CC(C)[N@H+](Cc1cc(C(=O)[O-])co1)Cc1ccccc1F ZINC000736471671 599849354 /nfs/dbraw/zinc/84/93/54/599849354.db2.gz LFLZVCUFSWGAML-UHFFFAOYSA-N 0 1 291.322 3.528 20 0 CHADMN CC(C)[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccccc1F ZINC000736471671 599849356 /nfs/dbraw/zinc/84/93/56/599849356.db2.gz LFLZVCUFSWGAML-UHFFFAOYSA-N 0 1 291.322 3.528 20 0 CHADMN O=C([O-])CC[N@@H+](C/C=C/c1ccccc1)Cc1ccccc1 ZINC000692413786 599811860 /nfs/dbraw/zinc/81/18/60/599811860.db2.gz AEHPXOFXMCAZFX-KPKJPENVSA-N 0 1 295.382 3.677 20 0 CHADMN CCC[N@H+](Cc1cc(C(=O)[O-])co1)CC1CCCCC1 ZINC000578242324 599848398 /nfs/dbraw/zinc/84/83/98/599848398.db2.gz SRKILZVVMUXRFT-UHFFFAOYSA-N 0 1 279.380 3.770 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCCc2sccc2C1 ZINC000652410917 600137769 /nfs/dbraw/zinc/13/77/69/600137769.db2.gz JAWOQDNNMNVBFA-SNVBAGLBSA-N 0 1 291.372 3.549 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@@H+](Cc2occc2C(=O)[O-])CC1 ZINC000079349649 600216677 /nfs/dbraw/zinc/21/66/77/600216677.db2.gz NCNIHXBARSARJM-LBPRGKRZSA-N 0 1 279.380 3.626 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCCC[C@@H]1c1ccco1 ZINC000738964778 600217022 /nfs/dbraw/zinc/21/70/22/600217022.db2.gz WUCIWDVKUTVROF-CYBMUJFWSA-N 0 1 289.331 3.606 20 0 CHADMN C[C@H](C[N@@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000251100867 600365027 /nfs/dbraw/zinc/36/50/27/600365027.db2.gz MVWNLKDVRPNWJW-RKDXNWHRSA-N 0 1 290.190 3.707 20 0 CHADMN Cc1oc(C[N@H+](C)Cc2c(C)cccc2C)cc1C(=O)[O-] ZINC000582186492 600429033 /nfs/dbraw/zinc/42/90/33/600429033.db2.gz DEADLPUZSBWZEV-UHFFFAOYSA-N 0 1 287.359 3.535 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])oc1C ZINC000736879697 600432519 /nfs/dbraw/zinc/43/25/19/600432519.db2.gz GPEPJAFRFFODFG-RISCZKNCSA-N 0 1 279.380 3.687 20 0 CHADMN Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000574093254 600432944 /nfs/dbraw/zinc/43/29/44/600432944.db2.gz LLIKRCZUGUVTAP-KGLIPLIRSA-N 0 1 299.370 3.664 20 0 CHADMN C[C@@H](C[N@@H+](CCc1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000572728911 600454343 /nfs/dbraw/zinc/45/43/43/600454343.db2.gz GGSZYMYPPMIXCD-AWEZNQCLSA-N 0 1 297.398 3.567 20 0 CHADMN CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1ccoc1C(=O)[O-] ZINC000736392973 600540902 /nfs/dbraw/zinc/54/09/02/600540902.db2.gz XXDXGRISWTYSPC-OAHLLOKOSA-N 0 1 287.359 3.807 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC000383815700 600556814 /nfs/dbraw/zinc/55/68/14/600556814.db2.gz KZVNIUPGPUSKLD-CYBMUJFWSA-N 0 1 269.344 3.578 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000577857155 600629562 /nfs/dbraw/zinc/62/95/62/600629562.db2.gz RQYWQZWRLFHGRZ-NFAWXSAZSA-N 0 1 299.370 3.917 20 0 CHADMN Cc1ccc(C[N@@H+](Cc2ccoc2C(=O)[O-])C2CC2)cc1C ZINC000565426603 600718402 /nfs/dbraw/zinc/71/84/02/600718402.db2.gz MGSYDJVIMBFIBY-UHFFFAOYSA-N 0 1 299.370 3.759 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000578995147 600835600 /nfs/dbraw/zinc/83/56/00/600835600.db2.gz BDFDHMGXGZKGAU-WQGACYEGSA-N 0 1 291.366 3.677 20 0 CHADMN O=C([O-])[C@H]1CCC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000164617928 600844437 /nfs/dbraw/zinc/84/44/37/600844437.db2.gz UASCXICMPDROTI-KRWDZBQOSA-N 0 1 297.398 3.569 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC000828289718 600862671 /nfs/dbraw/zinc/86/26/71/600862671.db2.gz LRGBYJICJHOYHT-CJNGLKHVSA-N 0 1 299.370 3.951 20 0 CHADMN Cc1ccc([C@@H]2CCCC[N@H+]2Cc2ccc(C(=O)[O-])o2)o1 ZINC000738582643 600968803 /nfs/dbraw/zinc/96/88/03/600968803.db2.gz MAYONAZMXAPTTI-ZDUSSCGKSA-N 0 1 289.331 3.606 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])o2)CC[C@@H]1c1ccccc1 ZINC000568067225 600975175 /nfs/dbraw/zinc/97/51/75/600975175.db2.gz PGHBEGKVSWYKAM-BBRMVZONSA-N 0 1 299.370 3.603 20 0 CHADMN Cc1oc(C[N@H+](C)[C@@H](C)c2cccc(C)c2)cc1C(=O)[O-] ZINC000564576842 600984186 /nfs/dbraw/zinc/98/41/86/600984186.db2.gz MONMABHUQPXLSE-LBPRGKRZSA-N 0 1 287.359 3.788 20 0 CHADMN C/C(=C\C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000825741934 601053669 /nfs/dbraw/zinc/05/36/69/601053669.db2.gz SYNKXBIKFWKVRW-JZUUQJBKSA-N 0 1 298.386 3.726 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000827928972 601116483 /nfs/dbraw/zinc/11/64/83/601116483.db2.gz SLZKUANOLJPTJV-QWRGUYRKSA-N 0 1 271.316 3.616 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000827928972 601116484 /nfs/dbraw/zinc/11/64/84/601116484.db2.gz SLZKUANOLJPTJV-QWRGUYRKSA-N 0 1 271.316 3.616 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000830362487 601423158 /nfs/dbraw/zinc/42/31/58/601423158.db2.gz ALVPVLUREARNMP-PXAZEXFGSA-N 0 1 299.370 3.733 20 0 CHADMN C[C@@H]([NH2+][C@@H](C(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000315454725 601457226 /nfs/dbraw/zinc/45/72/26/601457226.db2.gz OWOJCAVOSBVYBM-SJKOYZFVSA-N 0 1 295.338 3.909 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000226430512 601513426 /nfs/dbraw/zinc/51/34/26/601513426.db2.gz ULWRBGAWANHBTH-XNJGSVPQSA-N 0 1 283.371 3.553 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000568068219 601542204 /nfs/dbraw/zinc/54/22/04/601542204.db2.gz GSEGETNMBLVTDW-FZKQIMNGSA-N 0 1 299.370 3.702 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)C1CCCCC1 ZINC000233466105 601617175 /nfs/dbraw/zinc/61/71/75/601617175.db2.gz BTUPUFZFNNEUMK-UHFFFAOYSA-N 0 1 279.355 3.679 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CCCCC[C@@H]1C ZINC000155986452 601638950 /nfs/dbraw/zinc/63/89/50/601638950.db2.gz FRLUQQLVPAVUEC-JTQLQIEISA-N 0 1 267.394 3.519 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000568110436 601640418 /nfs/dbraw/zinc/64/04/18/601640418.db2.gz XZLGBGWMDQXUGN-AXAPSJFSSA-N 0 1 291.366 3.677 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC000394929784 601804185 /nfs/dbraw/zinc/80/41/85/601804185.db2.gz UNNFHQGLWHFJQI-LLVKDONJSA-N 0 1 275.373 3.639 20 0 CHADMN Cc1ccc([C@H](C)[N@@H+](C)Cc2ccsc2C(=O)[O-])cc1 ZINC000579603294 601807526 /nfs/dbraw/zinc/80/75/26/601807526.db2.gz OXEFLNJMEIPUDG-LBPRGKRZSA-N 0 1 289.400 3.948 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000110956515 601808458 /nfs/dbraw/zinc/80/84/58/601808458.db2.gz KNIAEDRTCQUZIG-CYBMUJFWSA-N 0 1 279.405 3.601 20 0 CHADMN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccsc2C(=O)[O-])C1 ZINC000593740031 601836398 /nfs/dbraw/zinc/83/63/98/601836398.db2.gz MXTHKPMHTLVJPL-NEPJUHHUSA-N 0 1 299.461 3.552 20 0 CHADMN CCC[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000566363020 601967187 /nfs/dbraw/zinc/96/71/87/601967187.db2.gz YKHGOLLPZNTLGD-NWDGAFQWSA-N 0 1 265.353 3.551 20 0 CHADMN Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])o2)c1 ZINC000832926357 602330798 /nfs/dbraw/zinc/33/07/98/602330798.db2.gz RVYLWGSIQYTFCX-INIZCTEOSA-N 0 1 299.370 3.932 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833548054 604532863 /nfs/dbraw/zinc/53/28/63/604532863.db2.gz KTBGZTAEWFIQBF-JTQLQIEISA-N 0 1 292.766 3.559 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1F ZINC000383584764 605829048 /nfs/dbraw/zinc/82/90/48/605829048.db2.gz NPDQHPFREJVOIR-GFCCVEGCSA-N 0 1 287.334 3.717 20 0 CHADMN C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2F)[C@@H]1c1ccccc1 ZINC000833629445 605838905 /nfs/dbraw/zinc/83/89/05/605838905.db2.gz INCQWNKVQAEEEY-SJCJKPOMSA-N 0 1 299.345 3.717 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2F)[C@@H]1c1ccccc1 ZINC000833629445 605838906 /nfs/dbraw/zinc/83/89/06/605838906.db2.gz INCQWNKVQAEEEY-SJCJKPOMSA-N 0 1 299.345 3.717 20 0 CHADMN CC(C)c1ccc([C@@H](C)[N@@H+](C)CCCC(=O)[O-])cc1 ZINC000082250009 949019130 /nfs/dbraw/zinc/01/91/30/949019130.db2.gz HSKLWRZYOJRXKP-CYBMUJFWSA-N 0 1 263.381 3.668 20 0 CHADMN C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000086725456 949060869 /nfs/dbraw/zinc/06/08/69/949060869.db2.gz SBBPWASFVDBSBB-LBPRGKRZSA-N 0 1 287.334 3.717 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000094525640 949175830 /nfs/dbraw/zinc/17/58/30/949175830.db2.gz ZACBAJWZFIULHP-CQSZACIVSA-N 0 1 287.403 3.641 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000094525641 949176800 /nfs/dbraw/zinc/17/68/00/949176800.db2.gz ZACBAJWZFIULHP-AWEZNQCLSA-N 0 1 287.403 3.641 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000094529179 949176996 /nfs/dbraw/zinc/17/69/96/949176996.db2.gz DSUXEGUHXBKJIS-GOSISDBHSA-N 0 1 287.403 3.641 20 0 CHADMN Cc1cccc(C)c1C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000215478208 949546288 /nfs/dbraw/zinc/54/62/88/949546288.db2.gz WWBWXGTVQNVJDF-OAHLLOKOSA-N 0 1 275.392 3.523 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001589669717 949924436 /nfs/dbraw/zinc/92/44/36/949924436.db2.gz XFJCBZUHYPXAMG-UHFFFAOYSA-N 0 1 287.403 3.738 20 0 CHADMN C[C@@H]1CCC[C@H](C[N@H+]2CCCC[C@H]2CCC(=O)[O-])C1 ZINC000251719686 950015495 /nfs/dbraw/zinc/01/54/95/950015495.db2.gz IMSMNNKZHRKCDA-ILXRZTDVSA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])c1cccc(C[N@@H+](Cc2ccccc2)C2CC2)c1 ZINC000383707258 951259538 /nfs/dbraw/zinc/25/95/38/951259538.db2.gz FSAUTCJCYHOVFK-UHFFFAOYSA-N 0 1 281.355 3.549 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(C)cc(Cl)c2)C1 ZINC000395185286 951463846 /nfs/dbraw/zinc/46/38/46/951463846.db2.gz XQUDUJHYAYMDRS-INIZCTEOSA-N 0 1 295.810 3.725 20 0 CHADMN O=C([O-])c1cccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1Cl ZINC000381772692 971777682 /nfs/dbraw/zinc/77/76/82/971777682.db2.gz YPDKODDJPYDBGH-TXEJJXNPSA-N 0 1 293.794 3.660 20 0 CHADMN O=C([O-])C[N@@H+](C1CC1)[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000430680379 953501217 /nfs/dbraw/zinc/50/12/17/953501217.db2.gz SGLHUXGFKVGSDG-HOTGVXAUSA-N 0 1 279.424 3.675 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccc(-c2ccsc2)cc1)C(=O)[O-] ZINC000570403455 953655927 /nfs/dbraw/zinc/65/59/27/953655927.db2.gz PJTUVXJWLDMGJM-LBPRGKRZSA-N 0 1 289.400 3.568 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000629375478 953822776 /nfs/dbraw/zinc/82/27/76/953822776.db2.gz GJVOHXSWXCQMDF-BAABZTOOSA-N 0 1 273.376 3.563 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2)CC[C@@H]1C(=O)[O-] ZINC000629497460 953829400 /nfs/dbraw/zinc/82/94/00/953829400.db2.gz CZEKJLXUPHWJNR-CJNGLKHVSA-N 0 1 289.419 3.527 20 0 CHADMN CC1(C)CCCC[C@H]1C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000662212504 954384865 /nfs/dbraw/zinc/38/48/65/954384865.db2.gz BMKIMWBLLDAHDA-UONOGXRCSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@H](C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1cc(F)cc(F)c1 ZINC000665350924 954543533 /nfs/dbraw/zinc/54/35/33/954543533.db2.gz JNMJNAICHQRWIQ-NSHDSACASA-N 0 1 299.361 3.501 20 0 CHADMN CC[C@@H]1CCC[C@@H](C[N@@H+](CC(=O)[O-])CC(C)(C)C)C1 ZINC000665351070 954544120 /nfs/dbraw/zinc/54/41/20/954544120.db2.gz OSQDRCZFOKNVCH-ZIAGYGMSSA-N 0 1 269.429 3.636 20 0 CHADMN CC[C@@H]1CCC[C@H](C[N@@H+](CC(=O)[O-])CC(C)(C)C)C1 ZINC000665351068 954544163 /nfs/dbraw/zinc/54/41/63/954544163.db2.gz OSQDRCZFOKNVCH-KGLIPLIRSA-N 0 1 269.429 3.636 20 0 CHADMN CC(=O)Nc1nc(C[N@H+]2CCC[C@H]2CC(C)(C)C)cs1 ZINC000127699293 1125462829 /nfs/dbraw/zinc/46/28/29/1125462829.db2.gz OKCDXOGILWIJOW-ZDUSSCGKSA-N 0 1 295.452 3.502 20 0 CHADMN CC(=O)Nc1nc(CN2CCC[C@H]2CC(C)(C)C)cs1 ZINC000127699293 1125462831 /nfs/dbraw/zinc/46/28/31/1125462831.db2.gz OKCDXOGILWIJOW-ZDUSSCGKSA-N 0 1 295.452 3.502 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000614829772 1125463802 /nfs/dbraw/zinc/46/38/02/1125463802.db2.gz ZCSOYVHEJNYJTF-HLTSFMKQSA-N 0 1 283.730 3.559 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001589011959 955390141 /nfs/dbraw/zinc/39/01/41/955390141.db2.gz BOCXXRPOTADIHG-GZBFAFLISA-N 0 1 267.413 3.530 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(Cl)c(C)c2)C1 ZINC000904401588 956955029 /nfs/dbraw/zinc/95/50/29/956955029.db2.gz RGPSMQNJRDTXHS-INIZCTEOSA-N 0 1 295.810 3.725 20 0 CHADMN O=C([O-])C[N@@H+](Cc1ccccc1Cl)C1CCCCC1 ZINC000032128128 957173995 /nfs/dbraw/zinc/17/39/95/957173995.db2.gz XIIABPUFSDMWFF-UHFFFAOYSA-N 0 1 281.783 3.559 20 0 CHADMN CCC(CC)C[N@@H+](CC)Cc1cc(C(=O)[O-])ccc1OC ZINC000050126899 957484881 /nfs/dbraw/zinc/48/48/81/957484881.db2.gz COJSTHCUYVERCK-UHFFFAOYSA-N 0 1 293.407 3.652 20 0 CHADMN CC[N@@H+](Cc1cccs1)Cc1cc(C(=O)[O-])ccc1F ZINC000062755107 957609702 /nfs/dbraw/zinc/60/97/02/957609702.db2.gz COAFOCOFXMKRFM-UHFFFAOYSA-N 0 1 293.363 3.608 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1cccc2ccccc21 ZINC000071736639 957731029 /nfs/dbraw/zinc/73/10/29/957731029.db2.gz TYNGLLLUTGLMGQ-UHFFFAOYSA-N 0 1 285.387 3.773 20 0 CHADMN O=C([O-])[C@H]1CCCCC[N@H+]1Cc1cccc2ccccc21 ZINC000080992168 957771945 /nfs/dbraw/zinc/77/19/45/957771945.db2.gz RJOUGZXXHUTCNU-QGZVFWFLSA-N 0 1 283.371 3.669 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000083663084 957831387 /nfs/dbraw/zinc/83/13/87/957831387.db2.gz SLLGOSPEGVLMGS-SNVBAGLBSA-N 0 1 289.297 3.563 20 0 CHADMN Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000086725344 957977307 /nfs/dbraw/zinc/97/73/07/957977307.db2.gz UJFGWKFEXBVAEQ-CQSZACIVSA-N 0 1 283.371 3.886 20 0 CHADMN C[C@H](CC[N@H+]1CCCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000086814688 957995650 /nfs/dbraw/zinc/99/56/50/957995650.db2.gz UEZWROQMVBCXRP-GDBMZVCRSA-N 0 1 275.392 3.509 20 0 CHADMN O=C([O-])[C@H]1C[N@@H+](CC2CCCCCC2)Cc2ccccc21 ZINC000089575414 958074775 /nfs/dbraw/zinc/07/47/75/958074775.db2.gz DRBYIMCXAJQTQM-KRWDZBQOSA-N 0 1 287.403 3.641 20 0 CHADMN O=C([O-])[C@@H]1C[N@@H+](CC2CCCCCC2)Cc2ccccc21 ZINC000089575415 958075829 /nfs/dbraw/zinc/07/58/29/958075829.db2.gz DRBYIMCXAJQTQM-QGZVFWFLSA-N 0 1 287.403 3.641 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cccc2ccoc21 ZINC001353916516 958161935 /nfs/dbraw/zinc/16/19/35/958161935.db2.gz UXAMHVCKAKLZGY-HNNXBMFYSA-N 0 1 287.359 3.652 20 0 CHADMN C[C@H]1CCC[C@@H](C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)C1 ZINC000124627501 958541138 /nfs/dbraw/zinc/54/11/38/958541138.db2.gz HCPBLIUBCTYEGE-UONOGXRCSA-N 0 1 287.403 3.569 20 0 CHADMN C[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000127983576 958627205 /nfs/dbraw/zinc/62/72/05/958627205.db2.gz LRRQIZOECWWHMQ-GDBMZVCRSA-N 0 1 293.794 3.514 20 0 CHADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC000135043287 958881587 /nfs/dbraw/zinc/88/15/87/958881587.db2.gz DFGZEMHQPOLLMH-OAHLLOKOSA-N 0 1 281.440 3.780 20 0 CHADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1CCCC1CCCCC1 ZINC001594214196 959316935 /nfs/dbraw/zinc/31/69/35/959316935.db2.gz SYVSKMKWGCOWTC-UKRRQHHQSA-N 0 1 267.413 3.675 20 0 CHADMN CCC(CC)C[N@@H+](CC)Cc1ccccc1CC(=O)[O-] ZINC000167710134 959355857 /nfs/dbraw/zinc/35/58/57/959355857.db2.gz VQVWSQPXJLTUDU-UHFFFAOYSA-N 0 1 277.408 3.572 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](Cc2ccccc2CC(=O)[O-])CC1 ZINC000167739214 959357359 /nfs/dbraw/zinc/35/73/59/959357359.db2.gz XOKCTBKLCGKIDV-HNNXBMFYSA-N 0 1 289.419 3.572 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC(n2ccnc2)CC1 ZINC000109796866 1125470625 /nfs/dbraw/zinc/47/06/25/1125470625.db2.gz GLTDWZLCMQHMPH-LBPRGKRZSA-N 0 1 291.345 3.559 20 0 CHADMN Fc1ccc(CN2CC[C@@H]3CCC[C@@H]3C2)c(F)c1F ZINC001137935898 1131439362 /nfs/dbraw/zinc/43/93/62/1131439362.db2.gz OUKFOVOXINZOPW-WDEREUQCSA-N 0 1 269.310 3.726 20 0 CHADMN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])co1)c1ccc(Cl)s1 ZINC000228161306 959995821 /nfs/dbraw/zinc/99/58/21/959995821.db2.gz SRNBJWQXFZKNIQ-SSDOTTSWSA-N 0 1 285.752 3.544 20 0 CHADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1C/C=C\c1ccc(Cl)cc1 ZINC001574267077 960593298 /nfs/dbraw/zinc/59/32/98/960593298.db2.gz TVUQTNFAVBFNOR-KUXCDZRCSA-N 0 1 293.794 3.681 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)no1 ZINC000129818776 1125477998 /nfs/dbraw/zinc/47/79/98/1125477998.db2.gz QWHSGVKXUKSSRP-CXAGYDPISA-N 0 1 270.376 3.609 20 0 CHADMN Cc1cc(CN2CC[C@@H](c3ccccc3)[C@H](C)C2)no1 ZINC000129818776 1125478002 /nfs/dbraw/zinc/47/80/02/1125478002.db2.gz QWHSGVKXUKSSRP-CXAGYDPISA-N 0 1 270.376 3.609 20 0 CHADMN Cc1oc(C[N@H+](C)C[C@H]2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC001334011505 961742768 /nfs/dbraw/zinc/74/27/68/961742768.db2.gz YFZXMPLYYQTGRO-WCQYABFASA-N 0 1 279.380 3.544 20 0 CHADMN Cc1oc(C[N@H+](C)C[C@H]2C(C)=CCC[C@@H]2C)cc1C(=O)[O-] ZINC001339119264 962004490 /nfs/dbraw/zinc/00/44/90/962004490.db2.gz WSEWFIADQPSXRE-LRDDRELGSA-N 0 1 291.391 3.710 20 0 CHADMN Cc1ccnc(CN2CCCC[C@@H]2CCC(C)C)n1 ZINC000339657517 1117948551 /nfs/dbraw/zinc/94/85/51/1117948551.db2.gz FFZLTTZOBVIYAW-OAHLLOKOSA-N 0 1 261.413 3.576 20 0 CHADMN CCCCN(CC)Cc1csc(-c2ccccn2)n1 ZINC000111682231 1125483027 /nfs/dbraw/zinc/48/30/27/1125483027.db2.gz BEUFNTCPZCZDHP-UHFFFAOYSA-N 0 1 275.421 3.827 20 0 CHADMN CCCN(CCC)Cc1csc(-c2ccccn2)n1 ZINC000111683715 1125483333 /nfs/dbraw/zinc/48/33/33/1125483333.db2.gz SXAFHNNOOMMHCJ-UHFFFAOYSA-N 0 1 275.421 3.827 20 0 CHADMN CC(C)c1cccc(C[N@H+]2[C@H](C)CCC[C@@H]2C(=O)[O-])c1 ZINC001588969373 962661184 /nfs/dbraw/zinc/66/11/84/962661184.db2.gz AEVYUDSJOACIKA-CZUORRHYSA-N 0 1 275.392 3.638 20 0 CHADMN C[N@@H+](Cc1csc2ccccc12)C(C)(C)CC(=O)[O-] ZINC001353915111 962676589 /nfs/dbraw/zinc/67/65/89/962676589.db2.gz FIBGQFUFTCGGFQ-UHFFFAOYSA-N 0 1 277.389 3.586 20 0 CHADMN Cc1c2ccccc2oc1[C@H](NCc1cncn1C)C(C)C ZINC000112203973 1125485519 /nfs/dbraw/zinc/48/55/19/1125485519.db2.gz QOTJZJGVJXAQJL-QGZVFWFLSA-N 0 1 297.402 3.962 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000315873597 963945103 /nfs/dbraw/zinc/94/51/03/963945103.db2.gz AOXDTZASGBKNLK-BLLLJJGKSA-N 0 1 299.370 3.733 20 0 CHADMN O=C([O-])c1ccc(F)c(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000315970827 963959296 /nfs/dbraw/zinc/95/92/96/963959296.db2.gz YNPDIKSROSDNAG-OAHLLOKOSA-N 0 1 299.345 3.513 20 0 CHADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1ccc(C2CC2)cc1 ZINC000316372111 964006499 /nfs/dbraw/zinc/00/64/99/964006499.db2.gz BUCKNHXEOOVJLK-UHFFFAOYSA-N 0 1 295.382 3.894 20 0 CHADMN Cc1ccc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])cc1C ZINC000050925831 967535586 /nfs/dbraw/zinc/53/55/86/967535586.db2.gz JTKKUWYMWHOIHN-MRXNPFEDSA-N 0 1 275.392 3.523 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccsc1Cl ZINC000308353344 967928253 /nfs/dbraw/zinc/92/82/53/967928253.db2.gz VQTVMBSGQZDUST-NSHDSACASA-N 0 1 287.812 3.621 20 0 CHADMN C[C@H]1CCC[C@@H](CC[N@@H+](CC(=O)[O-])CC(C)(C)C)C1 ZINC000662223196 968757188 /nfs/dbraw/zinc/75/71/88/968757188.db2.gz NLDPAWOWWIFRNE-KBPBESRZSA-N 0 1 269.429 3.636 20 0 CHADMN C[C@H](c1cccc(F)c1)[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000317491067 970364332 /nfs/dbraw/zinc/36/43/32/970364332.db2.gz DYXIDZAKNDCMGA-GFCCVEGCSA-N 0 1 299.345 3.643 20 0 CHADMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC000399484687 973222009 /nfs/dbraw/zinc/22/20/09/973222009.db2.gz BSDXXKHFLMTTJJ-CMPLNLGQSA-N 0 1 281.783 3.659 20 0 CHADMN Cc1cc([C@@H](C)[N@H+]2CC[C@H](c3ccccc3)C2)oc1C(=O)[O-] ZINC000515659062 974300434 /nfs/dbraw/zinc/30/04/34/974300434.db2.gz BWBBMNLPTJRVDX-HIFRSBDPSA-N 0 1 299.370 3.837 20 0 CHADMN C[C@@H]1CC(C)(C)C[N@H+]1[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000520823460 974341560 /nfs/dbraw/zinc/34/15/60/974341560.db2.gz GVJSFMLKNFWYOY-NOZJJQNGSA-N 0 1 299.773 3.725 20 0 CHADMN CC1(C)CC(C[N@@H+](CC(=O)[O-])Cc2ccc(Cl)cc2)C1 ZINC000530164444 974359135 /nfs/dbraw/zinc/35/91/35/974359135.db2.gz WWBCXQCVZJJCSZ-UHFFFAOYSA-N 0 1 295.810 3.663 20 0 CHADMN CC1(C)[C@H](c2cccc(F)c2)CC[N@H+]1CCCCC(=O)[O-] ZINC000530172253 974361042 /nfs/dbraw/zinc/36/10/42/974361042.db2.gz FZKGNEZABCEUDP-HNNXBMFYSA-N 0 1 293.382 3.649 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C(C)(C)C1 ZINC000563722868 974538288 /nfs/dbraw/zinc/53/82/88/974538288.db2.gz KRFAQPMTNCFWGA-SNVBAGLBSA-N 0 1 281.783 3.659 20 0 CHADMN Cc1occc1C[N@@H+](C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000567241747 974629327 /nfs/dbraw/zinc/62/93/27/974629327.db2.gz IGGSHQONVHVRPY-UHFFFAOYSA-N 0 1 293.750 3.572 20 0 CHADMN Cc1occc1C[N@H+](C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000567241747 974629331 /nfs/dbraw/zinc/62/93/31/974629331.db2.gz IGGSHQONVHVRPY-UHFFFAOYSA-N 0 1 293.750 3.572 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000567359435 974632992 /nfs/dbraw/zinc/63/29/92/974632992.db2.gz VKGQZLDUZVDRAR-BLLLJJGKSA-N 0 1 293.382 3.925 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000568064950 974657786 /nfs/dbraw/zinc/65/77/86/974657786.db2.gz VXDVVQOLBNQIAD-GFCCVEGCSA-N 0 1 297.354 3.586 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)[C@@H]2CCCC[C@H]12 ZINC000568478756 974671516 /nfs/dbraw/zinc/67/15/16/974671516.db2.gz JGPKDPFWCDKJFB-KBRIMQKVSA-N 0 1 287.403 3.785 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H]2CC(C)(C)C)oc1C(=O)[O-] ZINC000568522396 974672838 /nfs/dbraw/zinc/67/28/38/974672838.db2.gz VRTQQBLZCPQDHF-LBPRGKRZSA-N 0 1 279.380 3.687 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000569129069 974684926 /nfs/dbraw/zinc/68/49/26/974684926.db2.gz LOXLFUDXKCBTMH-GFCCVEGCSA-N 0 1 281.421 3.847 20 0 CHADMN O=C([O-])C[N@@H+](Cc1ccc(Cl)c2ccccc12)C1CC1 ZINC000569855943 974700354 /nfs/dbraw/zinc/70/03/54/974700354.db2.gz CPAULZSMMGHBPT-UHFFFAOYSA-N 0 1 289.762 3.542 20 0 CHADMN C[C@H](C1CC1)[N@@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)C1CC1 ZINC000572968039 974757386 /nfs/dbraw/zinc/75/73/86/974757386.db2.gz YWAVFZXPEXPUML-SNVBAGLBSA-N 0 1 293.794 3.801 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)C1CC1 ZINC000572968038 974757685 /nfs/dbraw/zinc/75/76/85/974757685.db2.gz YWAVFZXPEXPUML-JTQLQIEISA-N 0 1 293.794 3.801 20 0 CHADMN O=C([O-])CC1(C[N@H+]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000573975502 974775296 /nfs/dbraw/zinc/77/52/96/974775296.db2.gz UGDUNCZIISCSOB-AWEZNQCLSA-N 0 1 293.794 3.732 20 0 CHADMN O=C([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000578137536 974848648 /nfs/dbraw/zinc/84/86/48/974848648.db2.gz LTQAXHWWHYJSRF-OAHLLOKOSA-N 0 1 293.794 3.803 20 0 CHADMN C[C@H]1C[C@H](CC[N@@H+](CC(=O)[O-])C2CCCC2)C[C@@H](C)C1 ZINC000579861942 974884202 /nfs/dbraw/zinc/88/42/02/974884202.db2.gz ZOTOKFIVYGRZNP-FICVDOATSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000583636180 974943741 /nfs/dbraw/zinc/94/37/41/974943741.db2.gz LNHWJXWPUVXTFS-AEFFLSMTSA-N 0 1 289.419 3.539 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000629362867 975083171 /nfs/dbraw/zinc/08/31/71/975083171.db2.gz YOHVQBKAHIQHPF-AWEZNQCLSA-N 0 1 289.419 3.959 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)C1CCCCC1 ZINC000629371897 975087480 /nfs/dbraw/zinc/08/74/80/975087480.db2.gz QXXHUAWYXHPCSP-HIFRSBDPSA-N 0 1 269.429 3.778 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000629376258 975091101 /nfs/dbraw/zinc/09/11/01/975091101.db2.gz TYIITIDRPWXWMG-CDJBXZAQSA-N 0 1 277.364 3.717 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)cc1C(=O)[O-] ZINC000634697129 975274717 /nfs/dbraw/zinc/27/47/17/975274717.db2.gz BAIUPLXHRIZYPH-CQSZACIVSA-N 0 1 291.391 3.688 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H](C3CCC3)CC2)cc1 ZINC000634697850 975275296 /nfs/dbraw/zinc/27/52/96/975275296.db2.gz UGTHVLLTUCJPGU-INIZCTEOSA-N 0 1 287.403 3.787 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000634697698 975275337 /nfs/dbraw/zinc/27/53/37/975275337.db2.gz PAAJCESGSBSOQQ-AWEZNQCLSA-N 0 1 291.391 3.688 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000634697573 975275578 /nfs/dbraw/zinc/27/55/78/975275578.db2.gz MLPRPUPTOBKJHK-LSDHHAIUSA-N 0 1 267.413 3.532 20 0 CHADMN CC[N@@H+](Cc1ccc2ccccc2c1)[C@H](C(=O)[O-])C1CC1 ZINC000635015789 975282647 /nfs/dbraw/zinc/28/26/47/975282647.db2.gz RUGWQMBEJNHBFF-KRWDZBQOSA-N 0 1 283.371 3.525 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@H+]2CCCC[C@@H]2CC(=O)[O-])C1 ZINC000650506610 975448644 /nfs/dbraw/zinc/44/86/44/975448644.db2.gz SBYPSDHZBJXWQH-RBSFLKMASA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1(C(=O)[O-])CC1 ZINC000652403737 975522481 /nfs/dbraw/zinc/52/24/81/975522481.db2.gz HHKLZGVBKZBZND-HOTGVXAUSA-N 0 1 287.403 3.509 20 0 CHADMN O=C([O-])C[N@@H+](CC1CCCCCC1)C1CCCCC1 ZINC000652482037 975550189 /nfs/dbraw/zinc/55/01/89/975550189.db2.gz KFDSGDLSAONCPT-UHFFFAOYSA-N 0 1 267.413 3.676 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@H](C3CCCCC3)C2)cc1 ZINC000656760577 975688819 /nfs/dbraw/zinc/68/88/19/975688819.db2.gz DUZAQOGWMYUUBZ-KRWDZBQOSA-N 0 1 287.403 3.787 20 0 CHADMN CC(C)(CC[N@@H+](CCC(=O)[O-])Cc1ccccc1)C1CC1 ZINC000659789895 975876260 /nfs/dbraw/zinc/87/62/60/975876260.db2.gz QUTKDHVKGBBISW-UHFFFAOYSA-N 0 1 289.419 3.790 20 0 CHADMN O=C([O-])CC[N@H+](Cc1ccccc1)CC1CCCCC1 ZINC000659790440 975878674 /nfs/dbraw/zinc/87/86/74/975878674.db2.gz UGBDPDSZZRKVMV-UHFFFAOYSA-N 0 1 275.392 3.544 20 0 CHADMN CC(C)c1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)c(C(C)C)c1 ZINC000676229795 976030238 /nfs/dbraw/zinc/03/02/38/976030238.db2.gz IEDHVIUYVTYBHA-INIZCTEOSA-N 0 1 289.419 3.840 20 0 CHADMN CC(C)c1[nH]c(C[N@@H+]([C@@H](C)C2CC2)C2CC2)cc1C(=O)[O-] ZINC001591910669 976324939 /nfs/dbraw/zinc/32/49/39/976324939.db2.gz LWAXDHPSWNUSJN-NSHDSACASA-N 0 1 290.407 3.599 20 0 CHADMN CC(C)c1[nH]c(C[N@@H+]2CCC[C@@H](C(C)C)C2)cc1C(=O)[O-] ZINC001591912516 976348593 /nfs/dbraw/zinc/34/85/93/976348593.db2.gz OLVVRKJIFDJZNC-CYBMUJFWSA-N 0 1 292.423 3.704 20 0 CHADMN CC(C)c1ccc([C@@H](C)[N@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc1 ZINC001591948288 976497618 /nfs/dbraw/zinc/49/76/18/976497618.db2.gz DELLJABYIWSPJZ-IYOUNJFTSA-N 0 1 289.419 3.914 20 0 CHADMN CC(C)c1ccc(C[N@@H+](C)Cc2occc2C(=O)[O-])cc1 ZINC001591954220 976522908 /nfs/dbraw/zinc/52/29/08/976522908.db2.gz NQANHQNORZJCFF-UHFFFAOYSA-N 0 1 287.359 3.733 20 0 CHADMN C[C@@H](c1cccs1)[N@@H+](C)Cc1cc(C(=O)[O-])cs1 ZINC000711379411 977538716 /nfs/dbraw/zinc/53/87/16/977538716.db2.gz SZNSELCSMYHNMA-VIFPVBQESA-N 0 1 281.402 3.701 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2c(F)cc(F)c(F)c2F)CS1 ZINC000655761910 1118205234 /nfs/dbraw/zinc/20/52/34/1118205234.db2.gz QOMDTQJPMQQKMP-HTQZYQBOSA-N 0 1 293.329 3.617 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000734843516 978301430 /nfs/dbraw/zinc/30/14/30/978301430.db2.gz MSMORXVDSSKBLS-JTQLQIEISA-N 0 1 293.750 3.505 20 0 CHADMN CCOc1c(Cl)cccc1CN1CC[C@@H]1C(C)C ZINC001652015276 1118268243 /nfs/dbraw/zinc/26/82/43/1118268243.db2.gz MBKGQHUYFJECBZ-CQSZACIVSA-N 0 1 267.800 3.969 20 0 CHADMN C[C@@H](NCC[C@H](C)F)c1nc(C(F)(F)F)cs1 ZINC000340466584 1118271686 /nfs/dbraw/zinc/27/16/86/1118271686.db2.gz ZZSHKJCAKUWIGC-NKWVEPMBSA-N 0 1 270.295 3.561 20 0 CHADMN CC(C)[N@@H+](CC(=O)[O-])Cc1sc2ccccc2c1Cl ZINC000037995257 1118283272 /nfs/dbraw/zinc/28/32/72/1118283272.db2.gz ODERFKQJDATCDP-UHFFFAOYSA-N 0 1 297.807 3.850 20 0 CHADMN COC[C@H](N[C@H]1CCC[C@H]1F)c1cccc(Cl)c1 ZINC000340524615 1118317665 /nfs/dbraw/zinc/31/76/65/1118317665.db2.gz DEIGHLKAUWRJPF-RDBSUJKOSA-N 0 1 271.763 3.508 20 0 CHADMN CC[C@H](N[C@H]1CCC[C@H]1F)c1cc(C)ccc1OC ZINC000340528834 1118318085 /nfs/dbraw/zinc/31/80/85/1118318085.db2.gz ZNWNPZQJKLTKHS-ILXRZTDVSA-N 0 1 265.372 3.935 20 0 CHADMN CC[N@@H+](Cc1ccccc1C)Cc1ccccc1CC(=O)[O-] ZINC000846237946 979417705 /nfs/dbraw/zinc/41/77/05/979417705.db2.gz IPNYMZXSRVGBRK-UHFFFAOYSA-N 0 1 297.398 3.644 20 0 CHADMN C/C(=C/C[N@H+]1CCC[C@@H]1CCCc1ccccc1)C(=O)[O-] ZINC000846255046 979427198 /nfs/dbraw/zinc/42/71/98/979427198.db2.gz SUSOOJGJGYKRDC-KSVUCXBSSA-N 0 1 287.403 3.505 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)[C@@H]1C ZINC000859793069 979631881 /nfs/dbraw/zinc/63/18/81/979631881.db2.gz IHTKPXRMZABKID-CHWSQXEVSA-N 0 1 299.370 3.875 20 0 CHADMN C[C@@H](C[N@H+](Cc1ccccc1)C[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000872159409 980043630 /nfs/dbraw/zinc/04/36/30/980043630.db2.gz GMNOXRNLZISPRT-LSDHHAIUSA-N 0 1 291.435 3.892 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000872161056 980048874 /nfs/dbraw/zinc/04/88/74/980048874.db2.gz RONAJQPBUSTAEV-IBGZPJMESA-N 0 1 297.398 3.753 20 0 CHADMN FCCC1CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000639376350 1118474344 /nfs/dbraw/zinc/47/43/44/1118474344.db2.gz FBRBEYQTPXTQRU-UHFFFAOYSA-N 0 1 268.401 3.592 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000901542462 980370765 /nfs/dbraw/zinc/37/07/65/980370765.db2.gz FDSPYYXCHDVNOR-FFEJMMODSA-N 0 1 289.375 3.556 20 0 CHADMN Cc1cc(C)c(/C=C\C[N@@H+](CC(=O)[O-])CC(C)C)cc1C ZINC000901590008 980395649 /nfs/dbraw/zinc/39/56/49/980395649.db2.gz YBPVHBDJPJIASA-SREVYHEPSA-N 0 1 289.419 3.668 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000901698674 980453494 /nfs/dbraw/zinc/45/34/94/980453494.db2.gz YYVPTTPKYJGTJZ-WMLDXEAASA-N 0 1 281.440 3.780 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])C[C@H](C)c1cccc(Cl)c1 ZINC000901978522 980659438 /nfs/dbraw/zinc/65/94/38/980659438.db2.gz GXNGGJOVEVKPKN-LBPRGKRZSA-N 0 1 283.799 3.629 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cccc(OC(C)(C)C)c1 ZINC000901987199 980667672 /nfs/dbraw/zinc/66/76/72/980667672.db2.gz FHNJPMJCGBLWHY-ZDUSSCGKSA-N 0 1 293.407 3.549 20 0 CHADMN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1C[C@@H]1CC=CCC1 ZINC000902049061 980713987 /nfs/dbraw/zinc/71/39/87/980713987.db2.gz WROSQUWJFWHXCR-PVAVHDDUSA-N 0 1 285.387 3.633 20 0 CHADMN CC1=CC[N@@H+](Cc2ccc(C(=O)[O-])cc2C(F)(F)F)CC1 ZINC000902281258 980814512 /nfs/dbraw/zinc/81/45/12/980814512.db2.gz HWZJPGCHSZOGIX-UHFFFAOYSA-N 0 1 299.292 3.556 20 0 CHADMN CCC[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])c(CC)o2)C1 ZINC000902324161 980832805 /nfs/dbraw/zinc/83/28/05/980832805.db2.gz BYPBNFBCBIKPRR-GFCCVEGCSA-N 0 1 279.380 3.552 20 0 CHADMN CC(C)[C@@H]([NH2+]Cc1cc(C(=O)[O-])co1)c1ccccc1F ZINC000902379575 980862883 /nfs/dbraw/zinc/86/28/83/980862883.db2.gz GLMUVUNZJSHDSW-OAHLLOKOSA-N 0 1 291.322 3.604 20 0 CHADMN CCc1oc(C[N@@H+](C)C2CCC(C)CC2)cc1C(=O)[O-] ZINC000902511189 980914765 /nfs/dbraw/zinc/91/47/65/980914765.db2.gz FYWIFAGYJNSNFB-UHFFFAOYSA-N 0 1 279.380 3.551 20 0 CHADMN CCc1oc(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)cc1C(=O)[O-] ZINC000902521388 980919344 /nfs/dbraw/zinc/91/93/44/980919344.db2.gz UAIBUKZXWXDAAF-RYUDHWBXSA-N 0 1 279.380 3.551 20 0 CHADMN C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000902529590 980922698 /nfs/dbraw/zinc/92/26/98/980922698.db2.gz KMLGIOHTJZILCW-DOMZBBRYSA-N 0 1 293.382 3.710 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902531526 980923808 /nfs/dbraw/zinc/92/38/08/980923808.db2.gz VGSAHPBGQBCTHB-QMOWULKGSA-N 0 1 291.391 3.778 20 0 CHADMN CC(C)(CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000902543959 980927764 /nfs/dbraw/zinc/92/77/64/980927764.db2.gz XILZHILZLDAAKJ-OAHLLOKOSA-N 0 1 293.382 3.854 20 0 CHADMN C[C@@H]1C[C@H](C)CC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000902562924 980933171 /nfs/dbraw/zinc/93/31/71/980933171.db2.gz QZZPXQGMTQKEEQ-VXGBXAGGSA-N 0 1 295.810 3.906 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000903598376 980981306 /nfs/dbraw/zinc/98/13/06/980981306.db2.gz VYHAGNIBSHYUSI-MELADBBJSA-N 0 1 269.429 3.634 20 0 CHADMN CCC(CC)CCC[N@H+](C)[C@H](C(=O)[O-])[C@@H](C)CC ZINC000903605642 980986758 /nfs/dbraw/zinc/98/67/58/980986758.db2.gz CAZGZTMRFYCOEI-JSGCOSHPSA-N 0 1 257.418 3.634 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])C[C@@H]1C[C@H]1CC ZINC000903608976 980990627 /nfs/dbraw/zinc/99/06/27/980990627.db2.gz QKNUDMFUKARRFU-KBMXLJTQSA-N 0 1 275.392 3.570 20 0 CHADMN CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1csc(C(=O)[O-])c1 ZINC001595444812 981090784 /nfs/dbraw/zinc/09/07/84/981090784.db2.gz USMHUIFXVNXPAF-QWHCGFSZSA-N 0 1 281.421 3.847 20 0 CHADMN CC[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)[C@H]1C ZINC001595463708 981146961 /nfs/dbraw/zinc/14/69/61/981146961.db2.gz DNDJMQMTFCTYIC-WDEREUQCSA-N 0 1 281.783 3.659 20 0 CHADMN CC[C@@H]1CC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)[C@H]1C ZINC001595464848 981152393 /nfs/dbraw/zinc/15/23/93/981152393.db2.gz YGTKFVVWCZYYSX-QWHCGFSZSA-N 0 1 298.386 3.553 20 0 CHADMN CC[C@H]1CC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)[C@H]1C ZINC001595464849 981152501 /nfs/dbraw/zinc/15/25/01/981152501.db2.gz YGTKFVVWCZYYSX-STQMWFEESA-N 0 1 298.386 3.553 20 0 CHADMN CC[C@@](C)(C(=O)[O-])[N@@H+](CCCC1CCC1)CC1CC1 ZINC001594788329 981835165 /nfs/dbraw/zinc/83/51/65/981835165.db2.gz VAAPZSTXZRIQDU-INIZCTEOSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC001594877675 982220161 /nfs/dbraw/zinc/22/01/61/982220161.db2.gz RGZJLOLIHBCKST-XIRDDKMYSA-N 0 1 299.414 3.879 20 0 CHADMN CCCC[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)[C@@H]1CCC[C@@H](C)C1 ZINC001595749148 982420822 /nfs/dbraw/zinc/42/08/22/982420822.db2.gz JZSZVJGWCXCSJD-UKRRQHHQSA-N 0 1 292.423 3.894 20 0 CHADMN Fc1ccc(CNCC2=CCOCC2)c(Cl)c1Cl ZINC000449402140 1118858617 /nfs/dbraw/zinc/85/86/17/1118858617.db2.gz KEHCDTZCJWCGIQ-UHFFFAOYSA-N 0 1 290.165 3.569 20 0 CHADMN CCC[N@@H+](CC)[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001595864775 982816387 /nfs/dbraw/zinc/81/63/87/982816387.db2.gz GUOHHLRARBXMJX-LBPRGKRZSA-N 0 1 289.297 3.563 20 0 CHADMN CCC[N@@H+](CCCCC(=O)[O-])[C@H](C)c1ccccc1OC ZINC001595879381 982880425 /nfs/dbraw/zinc/88/04/25/982880425.db2.gz LPHGTPUBBDAIJW-CQSZACIVSA-N 0 1 293.407 3.723 20 0 CHADMN Cc1nsc(C)c1CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000582130989 1119016625 /nfs/dbraw/zinc/01/66/25/1119016625.db2.gz SWGNGHDXSVEIIZ-NSHDSACASA-N 0 1 292.370 3.924 20 0 CHADMN C[C@H](NCc1cnc[nH]1)c1cc(Cl)ccc1Cl ZINC000112344563 1125486688 /nfs/dbraw/zinc/48/66/88/1125486688.db2.gz SUNAZXXQLSQRAA-QMMMGPOBSA-N 0 1 270.163 3.567 20 0 CHADMN CC[C@H]1CCCCN1Cc1nc(C2CC2)cs1 ZINC000342688552 1119126624 /nfs/dbraw/zinc/12/66/24/1119126624.db2.gz CYAJUZDKVGUJHI-LBPRGKRZSA-N 0 1 250.411 3.785 20 0 CHADMN CC[N@@H+](Cc1c2ccccc2[nH]c1C(=O)[O-])C1CCCC1 ZINC001596351048 983805897 /nfs/dbraw/zinc/80/58/97/983805897.db2.gz UINKFARZQUAPDA-UHFFFAOYSA-N 0 1 286.375 3.631 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)CC(C)(C)C ZINC001596357890 983831017 /nfs/dbraw/zinc/83/10/17/983831017.db2.gz QLQSOGWMSAMHJK-UHFFFAOYSA-N 0 1 283.799 3.906 20 0 CHADMN CC[N@@H+](Cc1ccc2ccccc2c1)CC1(C(=O)[O-])CC1 ZINC001596364524 983849575 /nfs/dbraw/zinc/84/95/75/983849575.db2.gz KSDMQSSCBATCDA-UHFFFAOYSA-N 0 1 283.371 3.527 20 0 CHADMN CC[N@H+](Cc1ccccc1F)C[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001596371830 983874002 /nfs/dbraw/zinc/87/40/02/983874002.db2.gz OOVXDCUVMFUAGR-HIFRSBDPSA-N 0 1 293.382 3.539 20 0 CHADMN CC[N@@H+](Cc1csc(C(=O)[O-])c1)[C@H]1CCCC[C@H]1C ZINC001596377567 983887065 /nfs/dbraw/zinc/88/70/65/983887065.db2.gz FAKZJTGFOGXDRZ-YPMHNXCESA-N 0 1 281.421 3.847 20 0 CHADMN CC(C)[C@H]1CCCC[C@H]1NCc1noc(C(C)(C)C)n1 ZINC000153036156 1119154836 /nfs/dbraw/zinc/15/48/36/1119154836.db2.gz YXHJLNCLXIQSTE-CHWSQXEVSA-N 0 1 279.428 3.672 20 0 CHADMN Cc1nc(C)c([C@H](C)N(C)CCC(F)(F)F)s1 ZINC000077283447 1119191845 /nfs/dbraw/zinc/19/18/45/1119191845.db2.gz WXHXKGYZYSYFDV-QMMMGPOBSA-N 0 1 266.332 3.705 20 0 CHADMN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCC(C)(C)C ZINC000112696837 1125489103 /nfs/dbraw/zinc/48/91/03/1125489103.db2.gz GJHSLZMALGDFIH-CYBMUJFWSA-N 0 1 297.464 3.519 20 0 CHADMN COCCOc1cccc(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213075213 1125489432 /nfs/dbraw/zinc/48/94/32/1125489432.db2.gz JKLGNLOKHNZKOO-UHFFFAOYSA-N 0 1 297.358 3.640 20 0 CHADMN C/C(=C/C[N@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC001588958050 984709481 /nfs/dbraw/zinc/70/94/81/984709481.db2.gz AUYDYEAGQYRHBM-IHWMJMDHSA-N 0 1 287.403 3.533 20 0 CHADMN CC(C)[C@@H](C)N[C@H](c1nccs1)c1ccccc1 ZINC000123148248 1119292111 /nfs/dbraw/zinc/29/21/11/1119292111.db2.gz RGMYIBWKAVUPKD-OCCSQVGLSA-N 0 1 260.406 3.867 20 0 CHADMN COc1c(C)cnc(CN2CCc3cccc(C)c3C2)c1C ZINC000429565024 1125492352 /nfs/dbraw/zinc/49/23/52/1125492352.db2.gz RBHJXQZALCBKCH-UHFFFAOYSA-N 0 1 296.414 3.574 20 0 CHADMN CO[C@@H](CNCc1ncc(C(C)(C)C)s1)C1CCCC1 ZINC000657766942 1119370565 /nfs/dbraw/zinc/37/05/65/1119370565.db2.gz GGOGYYXFOVLIFS-ZDUSSCGKSA-N 0 1 296.480 3.735 20 0 CHADMN CC/C=C\CCN[C@H](c1nc(C2CC2)no1)C(C)C ZINC000343562143 1119453706 /nfs/dbraw/zinc/45/37/06/1119453706.db2.gz XWJITJMNUPYDBM-SZZPACECSA-N 0 1 263.385 3.590 20 0 CHADMN C[C@H]1[C@@H](C)[N@H+](Cc2cc(C(=O)[O-])ccc2Cl)C[C@H]1C ZINC001594536442 986152481 /nfs/dbraw/zinc/15/24/81/986152481.db2.gz QLSQEKQORCRPJW-GMTAPVOTSA-N 0 1 281.783 3.515 20 0 CHADMN CCCO[C@H]1CCCN(Cc2ccc(Cl)o2)CC1 ZINC000093316599 1119568681 /nfs/dbraw/zinc/56/86/81/1119568681.db2.gz JLICKHYJUXEFNF-LBPRGKRZSA-N 0 1 271.788 3.714 20 0 CHADMN CN(CCc1nccs1)Cc1cnc(C2CCC2)s1 ZINC000093844094 1119572265 /nfs/dbraw/zinc/57/22/65/1119572265.db2.gz ZRMNVBNWGVZDKE-UHFFFAOYSA-N 0 1 293.461 3.542 20 0 CHADMN Cc1ncsc1CN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000093867588 1119572598 /nfs/dbraw/zinc/57/25/98/1119572598.db2.gz WHOMEICPCNFRBV-XHDPSFHLSA-N 0 1 258.390 3.645 20 0 CHADMN CCCC[C@@H](CC)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000114145940 1125496407 /nfs/dbraw/zinc/49/64/07/1125496407.db2.gz QUOUULAZAPWSFY-GFCCVEGCSA-N 0 1 286.379 3.627 20 0 CHADMN CCCCN(CC(=O)Nc1cccc(C)c1C)C1CC1 ZINC000046602713 1119620119 /nfs/dbraw/zinc/62/01/19/1119620119.db2.gz ITZIGONLEUIARC-UHFFFAOYSA-N 0 1 274.408 3.506 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](C[C@@H]1CCCC(C)(C)C1)C1CCC1 ZINC001589486361 987026518 /nfs/dbraw/zinc/02/65/18/987026518.db2.gz MVFFCVZPPTWGAR-QWHCGFSZSA-N 0 1 267.413 3.530 20 0 CHADMN C[C@H](CC1CCCC1)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000114396054 1125498232 /nfs/dbraw/zinc/49/82/32/1125498232.db2.gz AOWBGHBNUQAKKS-GFCCVEGCSA-N 0 1 298.390 3.627 20 0 CHADMN CCc1[nH]c(C[N@@H+](CC(C)C)CC(C)(C)C)cc1C(=O)[O-] ZINC001597380261 987571890 /nfs/dbraw/zinc/57/18/90/987571890.db2.gz CHJYOOAAJQXFOX-UHFFFAOYSA-N 0 1 294.439 3.779 20 0 CHADMN CCc1[nH]c(C[N@H+]([C@@H](C)[C@@H](C)CC)C2CC2)cc1C(=O)[O-] ZINC001597380774 987578912 /nfs/dbraw/zinc/57/89/12/987578912.db2.gz XZPXILWGIYKVPU-RYUDHWBXSA-N 0 1 292.423 3.674 20 0 CHADMN CCc1[nH]c(CNc2ccc(C3CCC3)c[nH+]2)cc1C(=O)[O-] ZINC001597394665 987643148 /nfs/dbraw/zinc/64/31/48/987643148.db2.gz CQVGDRYZIXTIAT-UHFFFAOYSA-N 0 1 299.374 3.550 20 0 CHADMN CC(C)(C)C1=CC[N@@H+](C[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC001589726690 987913249 /nfs/dbraw/zinc/91/32/49/987913249.db2.gz LEZBLQKSKTVSGL-UKRRQHHQSA-N 0 1 279.424 3.556 20 0 CHADMN CC(C)(C)C[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC001589764745 988107737 /nfs/dbraw/zinc/10/77/37/988107737.db2.gz VTUWKYAOHILWRE-DOMZBBRYSA-N 0 1 293.382 3.710 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC001597525987 988168270 /nfs/dbraw/zinc/16/82/70/988168270.db2.gz FKSUYDLDFGZELM-KHPPLWFESA-N 0 1 299.370 3.572 20 0 CHADMN CCc1cccc(C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC001597586550 988404944 /nfs/dbraw/zinc/40/49/44/988404944.db2.gz HFRSDCBDMKMCKL-UHFFFAOYSA-N 0 1 295.382 3.506 20 0 CHADMN CCC[N@H+](Cc1ncccc1Br)CC(C)C ZINC000309262612 1119840332 /nfs/dbraw/zinc/84/03/32/1119840332.db2.gz QNMGXAOMAANFMT-UHFFFAOYSA-N 0 1 285.229 3.712 20 0 CHADMN CCCN(Cc1ncccc1Br)CC(C)C ZINC000309262612 1119840336 /nfs/dbraw/zinc/84/03/36/1119840336.db2.gz QNMGXAOMAANFMT-UHFFFAOYSA-N 0 1 285.229 3.712 20 0 CHADMN Cc1nn(C)c(Cl)c1CN(C1CC1)C1CCCCC1 ZINC000066155547 1119833568 /nfs/dbraw/zinc/83/35/68/1119833568.db2.gz DCNVIEHDBRGJRA-UHFFFAOYSA-N 0 1 281.831 3.679 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC001597763279 989205408 /nfs/dbraw/zinc/20/54/08/989205408.db2.gz UTFAZCFATKWRBA-FPMFFAJLSA-N 0 1 291.391 3.551 20 0 CHADMN CCc1oc(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)cc1C(=O)[O-] ZINC001597798271 989362693 /nfs/dbraw/zinc/36/26/93/989362693.db2.gz CILMNTAUAOHNGJ-LBPRGKRZSA-N 0 1 299.370 3.660 20 0 CHADMN CCc1oc(C[NH2+]Cc2cc3ccccc3o2)cc1C(=O)[O-] ZINC001597806122 989419647 /nfs/dbraw/zinc/41/96/47/989419647.db2.gz ZZZDUQIZPAWHHL-UHFFFAOYSA-N 0 1 299.326 3.576 20 0 CHADMN Cc1nc(CN[C@@H](c2ccccc2)C(C)C)[nH]c1C ZINC000580096735 1119994801 /nfs/dbraw/zinc/99/48/01/1119994801.db2.gz OMNSKQODNJGPOU-MRXNPFEDSA-N 0 1 257.381 3.513 20 0 CHADMN CCC[C@H](CNCc1c(Cl)cccc1Cl)OC ZINC000378686044 1120122564 /nfs/dbraw/zinc/12/25/64/1120122564.db2.gz DYSYEGSGNNNYED-SNVBAGLBSA-N 0 1 276.207 3.898 20 0 CHADMN CCOc1ccc(F)c(F)c1CN(C)[C@@H](C)CC ZINC001143486441 1120134190 /nfs/dbraw/zinc/13/41/90/1120134190.db2.gz DXOXABKEXIVFBD-JTQLQIEISA-N 0 1 257.324 3.594 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001591087860 991614111 /nfs/dbraw/zinc/61/41/11/991614111.db2.gz UCKRGKPJAMCVLV-ZDUSSCGKSA-N 0 1 295.810 3.906 20 0 CHADMN CC(C)[C@@H]1CCCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1F ZINC001591088715 991625019 /nfs/dbraw/zinc/62/50/19/991625019.db2.gz LCQYQTMWYLSVSJ-INIZCTEOSA-N 0 1 293.382 3.925 20 0 CHADMN CC(C)[C@H]1C[N@@H+](Cc2ccsc2C(=O)[O-])[C@H]1C(C)C ZINC001591096117 991683784 /nfs/dbraw/zinc/68/37/84/991683784.db2.gz ABIVBSCKLNYTGU-OLZOCXBDSA-N 0 1 281.421 3.559 20 0 CHADMN CC(C)[C@@H]1[N@@H+](Cc2ccoc2C(=O)[O-])CC12CCCCC2 ZINC001591099509 991711858 /nfs/dbraw/zinc/71/18/58/991711858.db2.gz KOPUTWNULYGOBS-HNNXBMFYSA-N 0 1 291.391 3.769 20 0 CHADMN CC(C)[C@@H]1[N@@H+](Cc2csc(C(=O)[O-])c2)CC12CCCC2 ZINC001591100331 991723026 /nfs/dbraw/zinc/72/30/26/991723026.db2.gz VYSYAXTWMMGNBY-AWEZNQCLSA-N 0 1 293.432 3.847 20 0 CHADMN CC(C)C[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2)C1 ZINC001591207486 992041677 /nfs/dbraw/zinc/04/16/77/992041677.db2.gz NRUZYCQRICDXAF-ZBFHGGJFSA-N 0 1 275.392 3.570 20 0 CHADMN CC(C)C[C@H]1CCC[N@H+]([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001591207621 992042530 /nfs/dbraw/zinc/04/25/30/992042530.db2.gz STJDKDMEFPPZKA-VXGBXAGGSA-N 0 1 296.436 3.660 20 0 CHADMN CC(C)CC[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC001591227076 992097504 /nfs/dbraw/zinc/09/75/04/992097504.db2.gz AAOQEBGIYHAHCK-OAHLLOKOSA-N 0 1 290.407 3.571 20 0 CHADMN CC(C)[N@@H+](Cc1csc(C(=O)[O-])c1)C1CCCCC1 ZINC001591604586 992844547 /nfs/dbraw/zinc/84/45/47/992844547.db2.gz ZLPNVXVYAAYMJY-UHFFFAOYSA-N 0 1 281.421 3.989 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)N1CCOCC2(CC2)C1 ZINC000542989916 1120339306 /nfs/dbraw/zinc/33/93/06/1120339306.db2.gz FAFJIPSWKGJOCS-OAHLLOKOSA-N 0 1 279.811 3.904 20 0 CHADMN C[C@H]([NH2+]Cc1cc2ccccc2o1)c1cc(C(=O)[O-])co1 ZINC001593293282 994682651 /nfs/dbraw/zinc/68/26/51/994682651.db2.gz TWHZVLODVBVLDU-JTQLQIEISA-N 0 1 285.299 3.575 20 0 CHADMN Cc1nccc(NCc2ccccc2F)c1Cl ZINC000310334839 1120439376 /nfs/dbraw/zinc/43/93/76/1120439376.db2.gz CKMLOMMDARLWMR-UHFFFAOYSA-N 0 1 250.704 3.795 20 0 CHADMN CSc1cccc(CN[C@@H](C)c2ccccn2)c1 ZINC000660245489 1120463677 /nfs/dbraw/zinc/46/36/77/1120463677.db2.gz ZMSUXYKRWAKVPF-LBPRGKRZSA-N 0 1 258.390 3.654 20 0 CHADMN CC(C)(C)c1coc(CNCC[C@@H]2CC2(Cl)Cl)n1 ZINC000922272207 1120493198 /nfs/dbraw/zinc/49/31/98/1120493198.db2.gz HNGXUQJSGATNRI-SECBINFHSA-N 0 1 291.222 3.646 20 0 CHADMN CC[N@@H+](Cc1nc(C)oc1C)[C@H]1CCCC[C@H]1C ZINC000660368669 1120540666 /nfs/dbraw/zinc/54/06/66/1120540666.db2.gz VGLDZRIAOPGGHD-ABAIWWIYSA-N 0 1 250.386 3.692 20 0 CHADMN CSC[C@@H](C)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343866026 1120572182 /nfs/dbraw/zinc/57/21/82/1120572182.db2.gz SHTZWBCAGBWPMI-RNFRBKRXSA-N 0 1 284.372 3.564 20 0 CHADMN CCCC1CCC(N(C)Cc2coc(C)n2)CC1 ZINC000660400470 1120580946 /nfs/dbraw/zinc/58/09/46/1120580946.db2.gz LGVGERFGHGBWOT-UHFFFAOYSA-N 0 1 250.386 3.774 20 0 CHADMN C[C@@H](c1ccc(F)cc1)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001593697803 996158541 /nfs/dbraw/zinc/15/85/41/996158541.db2.gz PQLNHWASUUFGMY-LBPRGKRZSA-N 0 1 299.345 3.643 20 0 CHADMN CC[C@H](CC(F)F)CN1CCCC[C@@H]1c1nc(C)no1 ZINC000660549692 1120655992 /nfs/dbraw/zinc/65/59/92/1120655992.db2.gz XPAJAAMAUDOQCO-VXGBXAGGSA-N 0 1 287.354 3.586 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)[C@H]1C1CC1 ZINC001593942091 996962642 /nfs/dbraw/zinc/96/26/42/996962642.db2.gz CXIQPRIKOUYDRF-AWEZNQCLSA-N 0 1 293.794 3.659 20 0 CHADMN Cc1nc(C(C)C)ccc1C[N@@H+](C)CC1=CCSC1 ZINC000662267208 1120914131 /nfs/dbraw/zinc/91/41/31/1120914131.db2.gz REOBYVINDPDTMB-UHFFFAOYSA-N 0 1 276.449 3.618 20 0 CHADMN Cc1nc(C(C)C)ccc1CN(C)CC1=CCSC1 ZINC000662267208 1120914136 /nfs/dbraw/zinc/91/41/36/1120914136.db2.gz REOBYVINDPDTMB-UHFFFAOYSA-N 0 1 276.449 3.618 20 0 CHADMN C[N@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)C[C@@H]1CC1(C)C ZINC000663316996 1120923529 /nfs/dbraw/zinc/92/35/29/1120923529.db2.gz JRKVQZRPUZATEJ-NSHDSACASA-N 0 1 281.783 3.516 20 0 CHADMN CC(C)c1noc([C@@H](C)N(C)C[C@H]2CC=CCC2)n1 ZINC000344045581 1121064776 /nfs/dbraw/zinc/06/47/76/1121064776.db2.gz JWGIMJHZLHFIKO-OLZOCXBDSA-N 0 1 263.385 3.542 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC001594269670 999042153 /nfs/dbraw/zinc/04/21/53/999042153.db2.gz MCSYVXCXNIAUES-WFASDCNBSA-N 0 1 285.343 3.561 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC001594270660 999046145 /nfs/dbraw/zinc/04/61/45/999046145.db2.gz YIQNSTHKTXUUHD-KBXCAEBGSA-N 0 1 295.382 3.968 20 0 CHADMN Cc1cscc1CNCc1c(C)nn(C(C)C)c1C ZINC000894082247 1121465119 /nfs/dbraw/zinc/46/51/19/1121465119.db2.gz UWNOQNXXIBHSMC-UHFFFAOYSA-N 0 1 277.437 3.741 20 0 CHADMN O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)C(F)(F)F ZINC000729319170 1121775412 /nfs/dbraw/zinc/77/54/12/1121775412.db2.gz FAABNTGJXSDNTM-LBPRGKRZSA-N 0 1 289.272 3.736 20 0 CHADMN C[C@H]1CCN(Cc2sc(N3CCCC3)nc2Cl)[C@H]1C ZINC001179979778 1121932959 /nfs/dbraw/zinc/93/29/59/1121932959.db2.gz JUHPAFBFDVJKKW-QWRGUYRKSA-N 0 1 299.871 3.627 20 0 CHADMN CO[C@H](CN[C@H](C)c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000733323080 1121975992 /nfs/dbraw/zinc/97/59/92/1121975992.db2.gz DSFWZVKVUSWTOQ-RDDDGLTNSA-N 0 1 299.695 3.707 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Cl)cc3c2OCC3)C1 ZINC001180372092 1121984735 /nfs/dbraw/zinc/98/47/35/1121984735.db2.gz KDXHHHLJKZPDER-LLVKDONJSA-N 0 1 265.784 3.507 20 0 CHADMN C[C@@H](C1CCCCC1)N(C)Cc1nnc(C(C)(C)C)o1 ZINC000773973948 1122107517 /nfs/dbraw/zinc/10/75/17/1122107517.db2.gz BUVLHIAWACRAMN-LBPRGKRZSA-N 0 1 279.428 3.768 20 0 CHADMN CC(C)N(Cc1cncnc1)[C@H](C)c1ccsc1 ZINC000421376557 1122104113 /nfs/dbraw/zinc/10/41/13/1122104113.db2.gz RLOHMUBEAFWFLW-GFCCVEGCSA-N 0 1 261.394 3.510 20 0 CHADMN CO[C@@H](CNCc1cncc(Cl)c1Cl)CC(C)C ZINC001182432662 1122153414 /nfs/dbraw/zinc/15/34/14/1122153414.db2.gz CEOZEXFVENWMAW-LLVKDONJSA-N 0 1 291.222 3.539 20 0 CHADMN CCOc1cc(CN2CCC[C@H](CC)C2)c(Cl)cn1 ZINC001250319197 1122491341 /nfs/dbraw/zinc/49/13/41/1122491341.db2.gz PPWUFJKWGVKNLG-LBPRGKRZSA-N 0 1 282.815 3.756 20 0 CHADMN CCCCN(Cc1cc(C(=O)OC)ccc1Cl)C1CC1 ZINC001190347257 1122533867 /nfs/dbraw/zinc/53/38/67/1122533867.db2.gz ABZMXDBECWBIAX-UHFFFAOYSA-N 0 1 295.810 3.891 20 0 CHADMN CC(C)c1cccc(NS(=O)(=O)c2ccsc2)c1 ZINC000506576352 1122778720 /nfs/dbraw/zinc/77/87/20/1122778720.db2.gz DVNRGMADLKKKNN-UHFFFAOYSA-N 0 1 281.402 3.672 20 0 CHADMN CC(C)(C)c1nc(CN2CC[C@@H]3CCC[C@H]32)cs1 ZINC000426458992 1122797183 /nfs/dbraw/zinc/79/71/83/1122797183.db2.gz KTNCTFGUQIJOTA-WCQYABFASA-N 0 1 264.438 3.815 20 0 CHADMN CCC[C@H](C)N(C)Cc1c(C)nn(CC(C)C)c1OCC ZINC000507022501 1122920335 /nfs/dbraw/zinc/92/03/35/1122920335.db2.gz SLCZOZDMRDJHQE-AWEZNQCLSA-N 0 1 295.471 3.867 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1cccc(F)c1 ZINC000507521952 1122963285 /nfs/dbraw/zinc/96/32/85/1122963285.db2.gz CEFDRKPEQNRTJU-GFCCVEGCSA-N 0 1 258.340 3.634 20 0 CHADMN CCc1nc2c(s1)[C@@H](N(C)C[C@@H](F)CC)CCC2 ZINC000440795973 1123041421 /nfs/dbraw/zinc/04/14/21/1123041421.db2.gz VFTPPEMRCQGKGR-JQWIXIFHSA-N 0 1 270.417 3.763 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CCn2c(C)ncc2C1 ZINC001201970968 1123165121 /nfs/dbraw/zinc/16/51/21/1123165121.db2.gz CBMCLMFIRRSDBY-HNNXBMFYSA-N 0 1 275.440 3.780 20 0 CHADMN CO[C@H]1CCN(Cc2ccc(C(F)(F)F)s2)[C@H](C)C1 ZINC000443076368 1123355972 /nfs/dbraw/zinc/35/59/72/1123355972.db2.gz WYFUVANSMHPJMY-ZJUUUORDSA-N 0 1 293.354 3.766 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)c2sccc2Cl)c1 ZINC000335647585 1123388205 /nfs/dbraw/zinc/38/82/05/1123388205.db2.gz OQNLUAQSSHXZBA-UHFFFAOYSA-N 0 1 295.747 3.562 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccnc(F)c2)ccc1F ZINC000858170485 1123636101 /nfs/dbraw/zinc/63/61/01/1123636101.db2.gz LIPRFOBQQABSCW-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN CCSc1cccc(CNCc2ccnc(F)c2)c1 ZINC000858168973 1123636159 /nfs/dbraw/zinc/63/61/59/1123636159.db2.gz STHUPULEAIHJFS-UHFFFAOYSA-N 0 1 276.380 3.623 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N(C)C[C@@H]1CCCCO1 ZINC000346331479 1123681718 /nfs/dbraw/zinc/68/17/18/1123681718.db2.gz WFNCXPFYPDDXRJ-AAEUAGOBSA-N 0 1 269.335 3.527 20 0 CHADMN Cc1ccc(CCNCc2c(Cl)cncc2Cl)o1 ZINC000865412531 1123981714 /nfs/dbraw/zinc/98/17/14/1123981714.db2.gz OVNXPMYOTAQHLL-UHFFFAOYSA-N 0 1 285.174 3.622 20 0 CHADMN CCCC1CCC(N(Cc2nnc(C)[nH]2)C(C)C)CC1 ZINC000428374957 1124050502 /nfs/dbraw/zinc/05/05/02/1124050502.db2.gz OGUKTNGDONPXCB-UHFFFAOYSA-N 0 1 278.444 3.682 20 0 CHADMN CC[C@@H](N[C@@H](C)C1CCC(F)(F)CC1)C(F)F ZINC000449358107 1124709705 /nfs/dbraw/zinc/70/97/05/1124709705.db2.gz DVCNNHDVPWVGFA-WCBMZHEXSA-N 0 1 255.299 3.834 20 0 CHADMN C[C@@H](NCc1cccc(F)c1)c1ccnc(Cl)c1 ZINC000124319271 1124732459 /nfs/dbraw/zinc/73/24/59/1124732459.db2.gz NYDIGPFCCNIOTQ-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN CO[C@@H]1CCN(Cc2ccsc2Cl)CC1(C)C ZINC000449496287 1124770409 /nfs/dbraw/zinc/77/04/09/1124770409.db2.gz GOFKSXHPVISWKJ-LLVKDONJSA-N 0 1 273.829 3.648 20 0 CHADMN CCN(Cc1ccsc1C(F)(F)F)C[C@@H]1CCCO1 ZINC000529527053 1124986023 /nfs/dbraw/zinc/98/60/23/1124986023.db2.gz QTWLRHXQXAJBJF-NSHDSACASA-N 0 1 293.354 3.768 20 0 CHADMN C[C@@]1(C(F)(F)F)CCN(Cc2ccc(C(F)F)nc2)C1 ZINC000877811076 1125083797 /nfs/dbraw/zinc/08/37/97/1125083797.db2.gz UNPLTLCFYDEJEE-GFCCVEGCSA-N 0 1 294.267 3.794 20 0 CHADMN CC[C@@H](CN(CC)Cc1cnns1)c1ccccc1 ZINC000450760625 1125103276 /nfs/dbraw/zinc/10/32/76/1125103276.db2.gz RGIQJORVYUQMGY-ZDUSSCGKSA-N 0 1 275.421 3.554 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC2(CCC2)C1 ZINC000122891297 1125208765 /nfs/dbraw/zinc/20/87/65/1125208765.db2.gz LERZMVOYLLAACW-LBPRGKRZSA-N 0 1 262.397 3.909 20 0 CHADMN O=C(C[C@@H]1C[C@H]1C1CC1)Nc1cc(Cl)c(O)cc1F ZINC000879982615 1125242349 /nfs/dbraw/zinc/24/23/49/1125242349.db2.gz IWRHQEVEDPZWAC-IUCAKERBSA-N 0 1 283.730 3.559 20 0 CHADMN Clc1ccc(CN2CCC3(CCSCC3)CC2)nc1 ZINC000639983527 1125359179 /nfs/dbraw/zinc/35/91/79/1125359179.db2.gz WWNDMWADOQBIBL-UHFFFAOYSA-N 0 1 296.867 3.844 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cn[nH]c1)c1sccc1Cl ZINC000883208897 1125377752 /nfs/dbraw/zinc/37/77/52/1125377752.db2.gz QHPFFEUHQNIVIY-GZMMTYOYSA-N 0 1 269.801 3.927 20 0 CHADMN CCc1ccc(CNCc2ccc(C)nc2Cl)s1 ZINC000883292233 1125392134 /nfs/dbraw/zinc/39/21/34/1125392134.db2.gz HXZZXFBVNALOGI-UHFFFAOYSA-N 0 1 280.824 3.957 20 0 CHADMN CCC[C@@H](C)N(C)Cc1nc(C)c2ccccc2n1 ZINC000532480527 1125406604 /nfs/dbraw/zinc/40/66/04/1125406604.db2.gz PBRFCWWNIGVKOE-GFCCVEGCSA-N 0 1 257.381 3.559 20 0 CHADMN C[C@@]1(CNCc2csc(C3CC3)n2)CC1(Cl)Cl ZINC000824765431 1131482658 /nfs/dbraw/zinc/48/26/58/1131482658.db2.gz LAJUJXPFCNYBSB-NSHDSACASA-N 0 1 291.247 3.694 20 0 CHADMN COc1c(F)cc(CN2CCCCC[C@H]2C)cc1F ZINC001138422852 1131503458 /nfs/dbraw/zinc/50/34/58/1131503458.db2.gz AFXQQRRMCQKROR-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN CCCc1ccc(CN2CC3(C2)C[C@@H](F)CS3)s1 ZINC001138528457 1131516675 /nfs/dbraw/zinc/51/66/75/1131516675.db2.gz ULFAYMHRBHKISC-LLVKDONJSA-N 0 1 285.453 3.730 20 0 CHADMN CC(C)(C)c1nnc(CN2CCCCCCCC2)o1 ZINC000831926785 1131521253 /nfs/dbraw/zinc/52/12/53/1131521253.db2.gz UJVKKFVAZMUXJO-UHFFFAOYSA-N 0 1 265.401 3.523 20 0 CHADMN CC1(C)CN(Cc2cc3cc(Br)ccc3[nH]2)C1 ZINC001139183268 1131593188 /nfs/dbraw/zinc/59/31/88/1131593188.db2.gz JWRBDVCEBFYWHU-UHFFFAOYSA-N 0 1 293.208 3.772 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2cscc2Br)C1 ZINC001139349823 1131604267 /nfs/dbraw/zinc/60/42/67/1131604267.db2.gz ISSHYUVQFHEBGI-UWVGGRQHSA-N 0 1 288.254 3.989 20 0 CHADMN Fc1cccc(F)c1CCCN1CC[C@H](C(F)(F)F)C1 ZINC000846836720 1131748091 /nfs/dbraw/zinc/74/80/91/1131748091.db2.gz IEYBHRJWMHACLC-JTQLQIEISA-N 0 1 293.279 3.782 20 0 CHADMN CCC[N@@H+](Cc1c(Cl)n(C)nc1C(F)(F)F)C(C)C ZINC000847023342 1131771448 /nfs/dbraw/zinc/77/14/48/1131771448.db2.gz CGRUUYHXYGZMSK-UHFFFAOYSA-N 0 1 297.752 3.713 20 0 CHADMN CCCN(Cc1c(Cl)n(C)nc1C(F)(F)F)C(C)C ZINC000847023342 1131771453 /nfs/dbraw/zinc/77/14/53/1131771453.db2.gz CGRUUYHXYGZMSK-UHFFFAOYSA-N 0 1 297.752 3.713 20 0 CHADMN C[N@H+](Cc1cc(Cl)c([O-])c(Cl)c1)CC1CC1 ZINC001140830124 1131939590 /nfs/dbraw/zinc/93/95/90/1131939590.db2.gz RXEFARVHWIOKFM-UHFFFAOYSA-N 0 1 260.164 3.541 20 0 CHADMN CCC[N@H+](Cc1ccc([O-])c(F)c1F)CC(C)C ZINC001140892760 1131959269 /nfs/dbraw/zinc/95/92/69/1131959269.db2.gz ZYZSYZZNGZQOCU-UHFFFAOYSA-N 0 1 257.324 3.538 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2cnccc2C(F)(F)F)C1 ZINC001140919110 1131963019 /nfs/dbraw/zinc/96/30/19/1131963019.db2.gz IZHDFJBRIZAQRA-QWRGUYRKSA-N 0 1 272.314 3.578 20 0 CHADMN Cc1ccc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(F)c1 ZINC001141191776 1132040756 /nfs/dbraw/zinc/04/07/56/1132040756.db2.gz ATXAFLRCAAPURZ-BETUJISGSA-N 0 1 269.310 3.611 20 0 CHADMN COc1cc(Cl)ccc1CN1CCC[C@@H](CCF)C1 ZINC001171955006 1132111547 /nfs/dbraw/zinc/11/15/47/1132111547.db2.gz VRFFTBXLEUKNOB-LBPRGKRZSA-N 0 1 285.790 3.920 20 0 CHADMN CC[C@H](C)OCC[C@H](C)N[C@@H](C(C)=O)c1ccccc1 ZINC001172320731 1132158789 /nfs/dbraw/zinc/15/87/89/1132158789.db2.gz ZYWOQRUJCQZENY-ZQIUZPCESA-N 0 1 277.408 3.500 20 0 CHADMN CC[C@H](C)OCC[C@H](C)N1CCC[C@H]1c1nccs1 ZINC001172352702 1132183386 /nfs/dbraw/zinc/18/33/86/1132183386.db2.gz IKRQLEQCHPPANF-IHRRRGAJSA-N 0 1 282.453 3.874 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(C)c(Cl)c2)cn1 ZINC001231425873 1132293759 /nfs/dbraw/zinc/29/37/59/1132293759.db2.gz YXMLOISPKVTPES-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN COc1cc(Cl)c(CN2CCCC[C@@H]2C)c(OC)c1 ZINC001231694422 1132346172 /nfs/dbraw/zinc/34/61/72/1132346172.db2.gz OTBREJPXTNHBSD-NSHDSACASA-N 0 1 283.799 3.732 20 0 CHADMN C[C@H](CSc1ccc(Cl)cc1)N1CCOCC1(C)C ZINC001172877083 1132355122 /nfs/dbraw/zinc/35/51/22/1132355122.db2.gz DFMAHHYMDAOEGZ-GFCCVEGCSA-N 0 1 299.867 3.931 20 0 CHADMN FC1CC2(C1)CCCN(Cc1ncccc1Cl)CC2 ZINC001231958871 1132404096 /nfs/dbraw/zinc/40/40/96/1132404096.db2.gz HGNFOKMEBMFOGI-UHFFFAOYSA-N 0 1 282.790 3.839 20 0 CHADMN C[C@@H]1CCCC[N@@H+](Cc2c(Cl)n(C)nc2C(F)F)C1 ZINC001232050061 1132413807 /nfs/dbraw/zinc/41/38/07/1132413807.db2.gz DMLKNBOERBMJRM-SECBINFHSA-N 0 1 291.773 3.633 20 0 CHADMN C[C@@H]1CCCCN(Cc2c(Cl)n(C)nc2C(F)F)C1 ZINC001232050061 1132413814 /nfs/dbraw/zinc/41/38/14/1132413814.db2.gz DMLKNBOERBMJRM-SECBINFHSA-N 0 1 291.773 3.633 20 0 CHADMN CCCC[C@@H](CC(C)C)N1CC(F)(F)CC[C@@H]1CO ZINC001173257652 1132424778 /nfs/dbraw/zinc/42/47/78/1132424778.db2.gz KOZPXICGFAIESX-UONOGXRCSA-N 0 1 277.399 3.683 20 0 CHADMN Cc1c(F)cc(CN2CC[C@@]3(CC3(F)F)C2)cc1F ZINC001232422459 1132467980 /nfs/dbraw/zinc/46/79/80/1132467980.db2.gz AZQRZZIHLRDMBA-CYBMUJFWSA-N 0 1 273.273 3.504 20 0 CHADMN Cc1cc(CN2CC[C@]3(CC3(F)F)C2)c(F)cc1F ZINC001232783464 1132519901 /nfs/dbraw/zinc/51/99/01/1132519901.db2.gz YFONCYAWEGAAQY-ZDUSSCGKSA-N 0 1 273.273 3.504 20 0 CHADMN CC[C@H](C)N(C)Cc1c(F)cc(Cl)cc1OC ZINC001232999460 1132559758 /nfs/dbraw/zinc/55/97/58/1132559758.db2.gz FGHHSHLSFNCXFB-VIFPVBQESA-N 0 1 259.752 3.718 20 0 CHADMN C[C@H]1CCN(Cc2cc(O)cc(Br)c2)[C@@H](C)C1 ZINC001232998020 1132561383 /nfs/dbraw/zinc/56/13/83/1132561383.db2.gz CYFHAWGHYJCKIO-QWRGUYRKSA-N 0 1 298.224 3.775 20 0 CHADMN FC(F)(F)Sc1ccccc1Nc1ccncc1 ZINC001173882821 1132624199 /nfs/dbraw/zinc/62/41/99/1132624199.db2.gz VUIGOVFXYBFNFE-UHFFFAOYSA-N 0 1 270.279 3.859 20 0 CHADMN Cc1ccc2nc(SCc3cncs3)[nH]c2c1 ZINC001164573359 1133225020 /nfs/dbraw/zinc/22/50/20/1133225020.db2.gz YTZRQVNKNFUQBU-UHFFFAOYSA-N 0 1 261.375 3.620 20 0 CHADMN Cc1cccc(CN2CCCC(F)(F)[C@H](F)C2)c1C ZINC001205067769 1133522534 /nfs/dbraw/zinc/52/25/34/1133522534.db2.gz ZHEORDCDQAYMKL-CQSZACIVSA-N 0 1 271.326 3.873 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1N(C)Cc1c(Cl)c(C)nn1C ZINC001205702938 1133603159 /nfs/dbraw/zinc/60/31/59/1133603159.db2.gz RRHJFHIADXPPTH-OLZOCXBDSA-N 0 1 283.847 3.783 20 0 CHADMN COc1ccc(CN2CC(C)(C)C2)cc1C(C)(C)C ZINC001207150341 1133772157 /nfs/dbraw/zinc/77/21/57/1133772157.db2.gz FAARAMBOEFIVGA-UHFFFAOYSA-N 0 1 261.409 3.835 20 0 CHADMN CCO[C@@H]1CCN(CCc2c(Cl)cccc2Cl)C1 ZINC001209108350 1133975362 /nfs/dbraw/zinc/97/53/62/1133975362.db2.gz GBHCZEHCJYXNRN-LLVKDONJSA-N 0 1 288.218 3.647 20 0 CHADMN CCC[C@H](C(=O)c1ccccc1)N(C)C[C@H]1C[C@@H]1C ZINC001209425897 1134017533 /nfs/dbraw/zinc/01/75/33/1134017533.db2.gz GQPFVERLTMRKGS-NUEKZKHPSA-N 0 1 259.393 3.626 20 0 CHADMN Oc1cc(F)ccc1Nc1ccc(Cl)c(O)c1F ZINC001214798990 1134575791 /nfs/dbraw/zinc/57/57/91/1134575791.db2.gz FVLDDHINFAKZAC-UHFFFAOYSA-N 0 1 271.650 3.773 20 0 CHADMN CC[C@H](C)CO[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001224667694 1135467145 /nfs/dbraw/zinc/46/71/45/1135467145.db2.gz LDLRXQDOFKYLSW-BBRMVZONSA-N 0 1 281.827 3.977 20 0 CHADMN COc1ccc(Cl)c(Nc2ccc3nc(C)[nH]c3c2)n1 ZINC001213072092 1125510109 /nfs/dbraw/zinc/51/01/09/1125510109.db2.gz BSHDXZYROPUXAH-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1csc(C(C)(C)NC/C=C/c2ccccc2)n1 ZINC000116383066 1125510146 /nfs/dbraw/zinc/51/01/46/1125510146.db2.gz PZOCHOHEDXYNBT-JXMROGBWSA-N 0 1 272.417 3.990 20 0 CHADMN Cc1ccc2nc(-c3csc(C4CC4)n3)[nH]c2c1 ZINC000154653316 1125516875 /nfs/dbraw/zinc/51/68/75/1125516875.db2.gz IUMXWNZESQAVOY-UHFFFAOYSA-N 0 1 255.346 3.872 20 0 CHADMN Cc1cccc(NC(=O)Nc2cc(O)c(F)c(F)c2)c1C ZINC001202703875 1125519391 /nfs/dbraw/zinc/51/93/91/1125519391.db2.gz FPBXZCVSGYKZJO-UHFFFAOYSA-N 0 1 292.285 3.931 20 0 CHADMN C[C@H](NCc1ccc(F)c(Cl)c1)c1ccccn1 ZINC000053155502 1125519911 /nfs/dbraw/zinc/51/99/11/1125519911.db2.gz BSFYSUAIXXHGJF-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN Cc1nnsc1CN1CCC[C@H]1c1cccc(C)c1C ZINC000567314989 1125529553 /nfs/dbraw/zinc/52/95/53/1125529553.db2.gz OYYMAFZUYWANET-HNNXBMFYSA-N 0 1 287.432 3.800 20 0 CHADMN CCn1nccc1CNC(C)(C)c1cccc(Cl)c1 ZINC000119288093 1125530251 /nfs/dbraw/zinc/53/02/51/1125530251.db2.gz IEGPWQMEKNXQNP-UHFFFAOYSA-N 0 1 277.799 3.581 20 0 CHADMN CCN(C)[C@H](C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000057823323 1125540296 /nfs/dbraw/zinc/54/02/96/1125540296.db2.gz MYKLMGQJDKGEDD-YJBOKZPZSA-N 0 1 296.414 3.557 20 0 CHADMN CCC[C@@H](C)CCC[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1 ZINC000629359848 1125541973 /nfs/dbraw/zinc/54/19/73/1125541973.db2.gz DKNIIWGUKAETAM-CQSZACIVSA-N 0 1 295.398 3.929 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000194003225 1125550529 /nfs/dbraw/zinc/55/05/29/1125550529.db2.gz QXVJJRWLVJANII-RYUDHWBXSA-N 0 1 291.345 3.629 20 0 CHADMN C[C@@H](NCc1ccc2c[nH]nc2c1)c1ccc(F)cc1F ZINC000237445700 1125564709 /nfs/dbraw/zinc/56/47/09/1125564709.db2.gz OGEMPNGIDPQSJB-SNVBAGLBSA-N 0 1 287.313 3.692 20 0 CHADMN CC(C)CN(Cc1noc(-c2ccsc2)n1)CC(C)C ZINC000195543822 1125565621 /nfs/dbraw/zinc/56/56/21/1125565621.db2.gz ZGMQUIFYQQXIMU-UHFFFAOYSA-N 0 1 293.436 3.912 20 0 CHADMN OCCN(Cc1ccccc1F)[C@H]1CCCc2ccccc21 ZINC000532728147 1125575930 /nfs/dbraw/zinc/57/59/30/1125575930.db2.gz WCGDPBOGQSZSNH-IBGZPJMESA-N 0 1 299.389 3.698 20 0 CHADMN Cc1cccnc1CN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000245524125 1125577960 /nfs/dbraw/zinc/57/79/60/1125577960.db2.gz AAURUTLMXRZTKD-BBRMVZONSA-N 0 1 270.376 3.956 20 0 CHADMN C[C@H]1CCCN(Cc2csc(C3CC3)n2)[C@H]1C ZINC000245592222 1125584978 /nfs/dbraw/zinc/58/49/78/1125584978.db2.gz GNSGDFMSCNQNKW-QWRGUYRKSA-N 0 1 250.411 3.641 20 0 CHADMN CC(C)n1ncnc1CN(C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419335192 1125585457 /nfs/dbraw/zinc/58/54/57/1125585457.db2.gz OCCIGZIOHSAQKK-KBPBESRZSA-N 0 1 278.444 3.506 20 0 CHADMN Fc1ccccc1CNCc1cncc2ccccc21 ZINC000135370894 1125588267 /nfs/dbraw/zinc/58/82/67/1125588267.db2.gz ULTJMBDCOLIYKF-UHFFFAOYSA-N 0 1 266.319 3.664 20 0 CHADMN Cc1nc(C2CCN(c3ncc(Cl)s3)CC2)[nH]c1C ZINC000884705792 1125590267 /nfs/dbraw/zinc/59/02/67/1125590267.db2.gz HZZHBYUPFNXOOZ-UHFFFAOYSA-N 0 1 296.827 3.520 20 0 CHADMN Cc1ccc(CCN2CCO[C@H](c3ccccc3)C2)cc1 ZINC000532923449 1125590921 /nfs/dbraw/zinc/59/09/21/1125590921.db2.gz VAOTZJWWSYSAPB-IBGZPJMESA-N 0 1 281.399 3.611 20 0 CHADMN Cc1cccc(CN(C)[C@H](C)C(=O)Nc2cccc(C)c2)c1 ZINC000532922165 1125591092 /nfs/dbraw/zinc/59/10/92/1125591092.db2.gz TVNMKKJXAPONFW-MRXNPFEDSA-N 0 1 296.414 3.762 20 0 CHADMN CC[N@@H+](CCc1nccs1)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000245791672 1125595654 /nfs/dbraw/zinc/59/56/54/1125595654.db2.gz WHKIOPWLQRBDBA-OCCSQVGLSA-N 0 1 290.432 3.924 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cs1 ZINC000245907012 1125598155 /nfs/dbraw/zinc/59/81/55/1125598155.db2.gz OSCKLGLCUPKBGC-CDGCEXEKSA-N 0 1 294.464 3.731 20 0 CHADMN CC[C@H]1CN(CCCCC(F)(F)F)C[C@H](CC)O1 ZINC000420960128 1125607393 /nfs/dbraw/zinc/60/73/93/1125607393.db2.gz REGDSGWUJQWIGZ-RYUDHWBXSA-N 0 1 267.335 3.608 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NC(=O)c2cccc3nc[nH]c32)c1 ZINC000533463586 1125608614 /nfs/dbraw/zinc/60/86/14/1125608614.db2.gz NVHCYRQULMAFGP-CYBMUJFWSA-N 0 1 293.370 3.671 20 0 CHADMN CCCc1nc(CN(CC2CC2)C(C)C)cs1 ZINC000533494616 1125610642 /nfs/dbraw/zinc/61/06/42/1125610642.db2.gz HWVMQBZJEKGNPG-UHFFFAOYSA-N 0 1 252.427 3.716 20 0 CHADMN CN(CC(=O)Nc1ccc(C(F)F)cc1)CC(C)(C)C ZINC000885584296 1125613128 /nfs/dbraw/zinc/61/31/28/1125613128.db2.gz KATKVXSMFVRXPM-UHFFFAOYSA-N 0 1 284.350 3.541 20 0 CHADMN COc1cc(C)c([C@@H](C)NCc2cc(C)co2)cc1OC ZINC000885922321 1125626724 /nfs/dbraw/zinc/62/67/24/1125626724.db2.gz ASMYPYPQRVWTSX-CYBMUJFWSA-N 0 1 289.375 3.764 20 0 CHADMN Cc1[nH]nc(CNc2ccc(N(C)C(C)C)c(F)c2)c1C ZINC000885933458 1125628325 /nfs/dbraw/zinc/62/83/25/1125628325.db2.gz VBQVPRIYCURIOP-UHFFFAOYSA-N 0 1 290.386 3.622 20 0 CHADMN C[C@@H](c1ccco1)N(C)C[C@@H]1CCC2(CCC2)CO1 ZINC000885967208 1125631351 /nfs/dbraw/zinc/63/13/51/1125631351.db2.gz KASUOISVEUCPND-KBPBESRZSA-N 0 1 263.381 3.622 20 0 CHADMN Cc1csc([C@H](C)NC/C=C\c2cccc(F)c2)n1 ZINC000885967137 1125631359 /nfs/dbraw/zinc/63/13/59/1125631359.db2.gz IHMIRDWESCDDRO-RNZFLTOJSA-N 0 1 276.380 3.955 20 0 CHADMN Cc1coc(CNCc2cccc(OCC(F)F)c2)c1 ZINC000885970622 1125631996 /nfs/dbraw/zinc/63/19/96/1125631996.db2.gz FNAQNKKPOAHAGZ-UHFFFAOYSA-N 0 1 281.302 3.522 20 0 CHADMN CCCCN(C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000072710460 1125634763 /nfs/dbraw/zinc/63/47/63/1125634763.db2.gz IQPXHHKDOOIOME-JTQLQIEISA-N 0 1 265.382 3.591 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2C[C@@H](C)CC[C@@H]2C)c(C)c1 ZINC000072896931 1125636219 /nfs/dbraw/zinc/63/62/19/1125636219.db2.gz OXJNKWJCIUFWCE-LRDDRELGSA-N 0 1 288.435 3.671 20 0 CHADMN Cc1cnc([C@@H](C)NC/C=C/c2cccc(F)c2)s1 ZINC000886011096 1125636328 /nfs/dbraw/zinc/63/63/28/1125636328.db2.gz VNVACFNRMUQTQV-FVOPLDGLSA-N 0 1 276.380 3.955 20 0 CHADMN CSCc1cc(F)ccc1CNCc1cc(C)co1 ZINC000886015158 1125636419 /nfs/dbraw/zinc/63/64/19/1125636419.db2.gz WQTIZUSPPPXEDW-UHFFFAOYSA-N 0 1 279.380 3.880 20 0 CHADMN CSCc1cccc(CNCc2ccc(Cl)cn2)c1 ZINC000886081266 1125645204 /nfs/dbraw/zinc/64/52/04/1125645204.db2.gz LAABRCKZBVLMGG-UHFFFAOYSA-N 0 1 292.835 3.888 20 0 CHADMN CCCCc1noc([C@H](C)N2CCCC[C@@H](SC)C2)n1 ZINC000246522380 1125645706 /nfs/dbraw/zinc/64/57/06/1125645706.db2.gz IUVKXYGQNMDFGL-QWHCGFSZSA-N 0 1 297.468 3.691 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@H](c3ccccc3)[C@@H](C)C2)o1 ZINC000246565755 1125645816 /nfs/dbraw/zinc/64/58/16/1125645816.db2.gz DQPSLPQZHDZUSQ-XEZPLFJOSA-N 0 1 285.391 3.565 20 0 CHADMN CCC[N@@H+](Cc1cscn1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000246885960 1125650632 /nfs/dbraw/zinc/65/06/32/1125650632.db2.gz BXNDCFKPWMQQNX-UONOGXRCSA-N 0 1 282.453 3.559 20 0 CHADMN CCCN(Cc1cscn1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000246885960 1125650636 /nfs/dbraw/zinc/65/06/36/1125650636.db2.gz BXNDCFKPWMQQNX-UONOGXRCSA-N 0 1 282.453 3.559 20 0 CHADMN Cc1coc(CN[C@H]2c3ccccc3CC23CCOCC3)c1 ZINC000886120614 1125652279 /nfs/dbraw/zinc/65/22/79/1125652279.db2.gz JRGGHCMRBPQLKV-SFHVURJKSA-N 0 1 297.398 3.772 20 0 CHADMN CCCc1ncc(CNC/C=C\c2cccc(F)c2)o1 ZINC000886136286 1125655272 /nfs/dbraw/zinc/65/52/72/1125655272.db2.gz KEYKPRGIWVNHPZ-DAXSKMNVSA-N 0 1 274.339 3.569 20 0 CHADMN Cc1coc(CNC2(c3cccc(F)c3)CCC2)c1 ZINC000886151668 1125656116 /nfs/dbraw/zinc/65/61/16/1125656116.db2.gz PLMRGLSQBNUGIF-UHFFFAOYSA-N 0 1 259.324 3.896 20 0 CHADMN CC[C@H]1CCCN([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000247117714 1125656717 /nfs/dbraw/zinc/65/67/17/1125656717.db2.gz NTZYTMMFLSTZOO-NEPJUHHUSA-N 0 1 263.385 3.520 20 0 CHADMN CC[C@@H]1CCCN([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000247117733 1125656898 /nfs/dbraw/zinc/65/68/98/1125656898.db2.gz NTZYTMMFLSTZOO-VXGBXAGGSA-N 0 1 263.385 3.520 20 0 CHADMN COc1ccc(C2CC2)c(NCc2n[nH]c(C)c2C)c1 ZINC000886182003 1125659956 /nfs/dbraw/zinc/65/99/56/1125659956.db2.gz ZHWWYPPTBLAFPF-UHFFFAOYSA-N 0 1 271.364 3.525 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2F)N(Cc2ccncc2)C1 ZINC000075901367 1125660845 /nfs/dbraw/zinc/66/08/45/1125660845.db2.gz FPRXMHVZBPXMCQ-SUMWQHHRSA-N 0 1 270.351 3.804 20 0 CHADMN C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC(C)(C)C1 ZINC000076014514 1125664538 /nfs/dbraw/zinc/66/45/38/1125664538.db2.gz PTAVUSSSCRMWST-LBPRGKRZSA-N 0 1 271.364 3.530 20 0 CHADMN C[C@H](C(=O)Nc1cc(Cl)ccc1F)N1CC[C@@H](C)[C@@H]1C ZINC000248371566 1125664734 /nfs/dbraw/zinc/66/47/34/1125664734.db2.gz YUEXSQRVYWGOEX-OUAUKWLOSA-N 0 1 298.789 3.536 20 0 CHADMN C[C@@H]1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)[C@H]1C ZINC000248368128 1125664891 /nfs/dbraw/zinc/66/48/91/1125664891.db2.gz UVPMKDOHXFRBHX-MNOVXSKESA-N 0 1 291.782 3.620 20 0 CHADMN C[C@H](N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1ncco1 ZINC000886272339 1125665989 /nfs/dbraw/zinc/66/59/89/1125665989.db2.gz NKRLRAXIYVRJQV-NUEKZKHPSA-N 0 1 270.376 3.737 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N(C)C[C@H]1CCCO1 ZINC000248543678 1125667098 /nfs/dbraw/zinc/66/70/98/1125667098.db2.gz DDSIYQGDDQISAS-WDEREUQCSA-N 0 1 271.763 3.651 20 0 CHADMN C[C@@H]1CCCN1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000076114523 1125669462 /nfs/dbraw/zinc/66/94/62/1125669462.db2.gz RZNXIVPIYYLNLW-SNVBAGLBSA-N 0 1 278.302 3.604 20 0 CHADMN CCC1(CC)CCC([NH2+]Cc2nnc(CSC)[nH]2)CC1 ZINC000886325911 1125669869 /nfs/dbraw/zinc/66/98/69/1125669869.db2.gz VHURZKYBPCDLSU-UHFFFAOYSA-N 0 1 296.484 3.506 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2nccn2Cc2ccccc2)C1 ZINC000076182772 1125670330 /nfs/dbraw/zinc/67/03/30/1125670330.db2.gz SHFMZJLQDIEJOL-HZPDHXFCSA-N 0 1 283.419 3.552 20 0 CHADMN COCc1ccc([C@@H]2CCCN2[C@@H](C)c2ccccn2)o1 ZINC000248613344 1125671718 /nfs/dbraw/zinc/67/17/18/1125671718.db2.gz JDULUKNTIQSDBR-BBRMVZONSA-N 0 1 286.375 3.719 20 0 CHADMN Cc1cc(CN[C@H]2CCc3c2cccc3F)cnc1Cl ZINC000886361474 1125672306 /nfs/dbraw/zinc/67/23/06/1125672306.db2.gz JANOUCOKFFBMLU-HNNXBMFYSA-N 0 1 290.769 3.960 20 0 CHADMN CCc1nc(CN(C)[C@H]2CCC[C@@H](C)C2)cs1 ZINC000248752783 1125674399 /nfs/dbraw/zinc/67/43/99/1125674399.db2.gz HXBDKNFOWIKLLX-YPMHNXCESA-N 0 1 252.427 3.716 20 0 CHADMN CC[C@@H](CN(CC)[C@H](C)c1nnc(C)o1)c1ccccc1 ZINC000249477417 1125680536 /nfs/dbraw/zinc/68/05/36/1125680536.db2.gz VYCKSBSAIRISQO-HIFRSBDPSA-N 0 1 287.407 3.955 20 0 CHADMN Cc1cn[nH]c1CNc1ccc2c(c1)C=CC1(CCC1)O2 ZINC000886389581 1125677028 /nfs/dbraw/zinc/67/70/28/1125677028.db2.gz POZIIQVPVPDIEC-UHFFFAOYSA-N 0 1 281.359 3.659 20 0 CHADMN c1ccc2c(c1)OCCC[C@@H]2N[C@H]1CCc2cccnc21 ZINC000886520363 1125682891 /nfs/dbraw/zinc/68/28/91/1125682891.db2.gz CCGBAXFKXWFLGY-HOTGVXAUSA-N 0 1 280.371 3.572 20 0 CHADMN C[C@H](NCCCc1ccc(Cl)cc1)c1ncco1 ZINC000886532076 1125685873 /nfs/dbraw/zinc/68/58/73/1125685873.db2.gz CUARRERSPFGWQJ-NSHDSACASA-N 0 1 264.756 3.611 20 0 CHADMN C[C@H]1CCN(Cc2cscn2)[C@@H]1c1ccccc1 ZINC000886545027 1125689110 /nfs/dbraw/zinc/68/91/10/1125689110.db2.gz FSEKLAAORWTTBY-WFASDCNBSA-N 0 1 258.390 3.726 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)N[C@@H](C)c2cn[nH]c2)c1 ZINC000284279432 1125690104 /nfs/dbraw/zinc/69/01/04/1125690104.db2.gz XHQZELRQFODDQS-OLZOCXBDSA-N 0 1 273.380 3.609 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000629376699 1125690754 /nfs/dbraw/zinc/69/07/54/1125690754.db2.gz ZWHLMYXMVFZJLQ-XQJDBVBESA-N 0 1 291.366 3.702 20 0 CHADMN Cc1cnc([C@H](C)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cn1 ZINC000886618566 1125698719 /nfs/dbraw/zinc/69/87/19/1125698719.db2.gz DWXGUONKHKNXFB-OBJOEFQTSA-N 0 1 299.340 3.510 20 0 CHADMN COCc1cccc(CN(C)Cc2ccc(Cl)nc2)c1 ZINC000179227724 1125700134 /nfs/dbraw/zinc/70/01/34/1125700134.db2.gz HCNHBDDKWVVAIA-UHFFFAOYSA-N 0 1 290.794 3.513 20 0 CHADMN C[C@H](C1CC1)[N@@H+](C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000252014914 1125700894 /nfs/dbraw/zinc/70/08/94/1125700894.db2.gz VBWVTRITNAINGO-SNVBAGLBSA-N 0 1 291.782 3.620 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000252014914 1125700902 /nfs/dbraw/zinc/70/09/02/1125700902.db2.gz VBWVTRITNAINGO-SNVBAGLBSA-N 0 1 291.782 3.620 20 0 CHADMN CCN(CC)CC(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000067708185 1125709741 /nfs/dbraw/zinc/70/97/41/1125709741.db2.gz BUDKGAWMWXVLOQ-UHFFFAOYSA-N 0 1 297.402 3.711 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000886829679 1125722769 /nfs/dbraw/zinc/72/27/69/1125722769.db2.gz FLWFFYLAJQZXAG-HZSPNIEDSA-N 0 1 292.423 3.534 20 0 CHADMN Cc1cc(C(=O)CN2CCC[C@]3(CC=CCC3)C2)c(C)[nH]1 ZINC000261484708 1125733048 /nfs/dbraw/zinc/73/30/48/1125733048.db2.gz PLAJXLDLADKBJO-GOSISDBHSA-N 0 1 286.419 3.637 20 0 CHADMN CC[C@H](NCc1c(C)noc1C)c1cccc(C)c1 ZINC000286198157 1125735594 /nfs/dbraw/zinc/73/55/94/1125735594.db2.gz RNNITLCAAKHSDA-INIZCTEOSA-N 0 1 258.365 3.841 20 0 CHADMN Nc1ncc(CN2CCC[C@@H]2c2ccc(Cl)cc2)s1 ZINC000261693660 1125738701 /nfs/dbraw/zinc/73/87/01/1125738701.db2.gz BQGRNQGMTOINDR-CYBMUJFWSA-N 0 1 293.823 3.716 20 0 CHADMN C[C@H](CN[C@H](C)c1nccs1)Oc1cccc(Cl)c1 ZINC000090115859 1125739095 /nfs/dbraw/zinc/73/90/95/1125739095.db2.gz GIAARLVREZUKJG-GHMZBOCLSA-N 0 1 296.823 3.915 20 0 CHADMN CCc1ccc(/C(C)=C/c2nc(C3(N)CCC3)no2)cc1 ZINC000261679721 1125739379 /nfs/dbraw/zinc/73/93/79/1125739379.db2.gz GUDASMRNTOEACF-VAWYXSNFSA-N 0 1 283.375 3.530 20 0 CHADMN Nc1ncc(CN2CCC[C@H]2c2ccc(Cl)cc2)s1 ZINC000261693663 1125739697 /nfs/dbraw/zinc/73/96/97/1125739697.db2.gz BQGRNQGMTOINDR-ZDUSSCGKSA-N 0 1 293.823 3.716 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc(N(C)C)n2)cc1C ZINC000090851854 1125747415 /nfs/dbraw/zinc/74/74/15/1125747415.db2.gz XTXJXKDTENAQIQ-HNNXBMFYSA-N 0 1 283.419 3.615 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1coc(-c2cccs2)n1 ZINC000091099288 1125748373 /nfs/dbraw/zinc/74/83/73/1125748373.db2.gz TXOLCUCCFUBKEN-LBPRGKRZSA-N 0 1 296.461 3.977 20 0 CHADMN COc1cccc(SCCN(C)CCC(F)(F)F)c1 ZINC001118556633 1131231336 /nfs/dbraw/zinc/23/13/36/1131231336.db2.gz HZHFCBLRKRAXES-UHFFFAOYSA-N 0 1 293.354 3.672 20 0 CHADMN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)CCCF ZINC000887135928 1125750110 /nfs/dbraw/zinc/75/01/10/1125750110.db2.gz CCHZWBOVVPAPIG-UONOGXRCSA-N 0 1 294.414 3.819 20 0 CHADMN COc1ccc(F)c(-c2cc3[nH]nnc3cc2F)c1Cl ZINC001245885981 1131231593 /nfs/dbraw/zinc/23/15/93/1131231593.db2.gz JDCYVRWNOMKOMS-UHFFFAOYSA-N 0 1 295.676 3.565 20 0 CHADMN Fc1ccc(CN2CCC(n3ccnc3)CC2)cc1Cl ZINC000092648519 1125761375 /nfs/dbraw/zinc/76/13/75/1125761375.db2.gz PNMMAMGOEKGOGX-UHFFFAOYSA-N 0 1 293.773 3.513 20 0 CHADMN FC(F)c1ccc(CN2CCS[C@H]3CCCC[C@H]32)cn1 ZINC000638121376 1129244687 /nfs/dbraw/zinc/24/46/87/1129244687.db2.gz KTQSGPWUBZLXOG-KGLIPLIRSA-N 0 1 298.402 3.879 20 0 CHADMN COc1ccc(CN(Cc2ncccc2C)C2CC2)cc1 ZINC000093157856 1125764013 /nfs/dbraw/zinc/76/40/13/1125764013.db2.gz AXBDGMNULWSYAT-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN CCc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)cn1 ZINC000348408015 1125775979 /nfs/dbraw/zinc/77/59/79/1125775979.db2.gz LRVSHSBPFBCETB-ZDUSSCGKSA-N 0 1 286.341 3.807 20 0 CHADMN CCc1ccc(CN2CC[C@H](C(F)(F)F)C2(C)C)cn1 ZINC000348408015 1125775983 /nfs/dbraw/zinc/77/59/83/1125775983.db2.gz LRVSHSBPFBCETB-ZDUSSCGKSA-N 0 1 286.341 3.807 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1ccccc1 ZINC000533783878 1125782181 /nfs/dbraw/zinc/78/21/81/1125782181.db2.gz MDXNQJCMLMLKJC-UHFFFAOYSA-N 0 1 291.354 3.946 20 0 CHADMN CC(C)(C)C[C@@H](NCc1nnc[nH]1)c1ccc(Cl)cc1 ZINC001118559541 1131231825 /nfs/dbraw/zinc/23/18/25/1131231825.db2.gz YPMAPLUKHHCPKN-CYBMUJFWSA-N 0 1 292.814 3.725 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CC2CCC1CC2 ZINC001238702575 1131233873 /nfs/dbraw/zinc/23/38/73/1131233873.db2.gz NLHKFUBGMFGGOL-UHFFFAOYSA-N 0 1 277.383 3.987 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1ccns1 ZINC000639136966 1129285978 /nfs/dbraw/zinc/28/59/78/1129285978.db2.gz RJVLITAMDBCWAZ-JTQLQIEISA-N 0 1 264.419 3.716 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccc(F)cc2C)s1 ZINC000639995247 1129344519 /nfs/dbraw/zinc/34/45/19/1129344519.db2.gz JTTREGKARDASKY-JTQLQIEISA-N 0 1 264.369 3.750 20 0 CHADMN CCOc1ccc(C)c(CN(C)Cc2cccc(O)c2)c1 ZINC001238703286 1131234516 /nfs/dbraw/zinc/23/45/16/1131234516.db2.gz BPAINAGVWSINQF-UHFFFAOYSA-N 0 1 285.387 3.731 20 0 CHADMN CC(C)c1nc(CN2C[C@H](C)CC23CC3)cs1 ZINC001138888219 1129451081 /nfs/dbraw/zinc/45/10/81/1129451081.db2.gz SGGLKBYOSNXZCM-LLVKDONJSA-N 0 1 250.411 3.641 20 0 CHADMN COc1ccc(CNCc2cc(C)oc2C)cc1Cl ZINC000742371375 1129475629 /nfs/dbraw/zinc/47/56/29/1129475629.db2.gz SYQFFQAFAFWXOX-UHFFFAOYSA-N 0 1 279.767 3.848 20 0 CHADMN Fc1ccc(CN2CCC(C3CC3)CC2)cc1F ZINC000644719725 1129476381 /nfs/dbraw/zinc/47/63/81/1129476381.db2.gz DDDFBGPDYUSVKY-UHFFFAOYSA-N 0 1 251.320 3.587 20 0 CHADMN Cc1ccc(NC(=O)CN(C)CCC(C)(C)C)c(C)c1 ZINC000646027529 1129519196 /nfs/dbraw/zinc/51/91/96/1129519196.db2.gz NORVVSHTYGZIDD-UHFFFAOYSA-N 0 1 276.424 3.610 20 0 CHADMN CC[C@@H](CC1CCCC1)c1nc([C@H]2CCCN2)no1 ZINC000647149614 1129553067 /nfs/dbraw/zinc/55/30/67/1129553067.db2.gz OFURLVBXYPIHLO-QWHCGFSZSA-N 0 1 263.385 3.568 20 0 CHADMN Cc1ccc(-c2csc(CON=C(N)C(C)C)n2)cc1 ZINC000795216086 1129192110 /nfs/dbraw/zinc/19/21/10/1129192110.db2.gz FLUNSOZONCPNGQ-UHFFFAOYSA-N 0 1 289.404 3.773 20 0 CHADMN Cc1c(Cl)c(CN2CCCC[C@H]2C2CCC2)nn1C ZINC000648077795 1129596972 /nfs/dbraw/zinc/59/69/72/1129596972.db2.gz IRSLKTMASQYWMZ-AWEZNQCLSA-N 0 1 281.831 3.537 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C2CCC=CCC2)c1 ZINC000635949935 1129194306 /nfs/dbraw/zinc/19/43/06/1129194306.db2.gz JZRGSMYDDFCDEF-UHFFFAOYSA-N 0 1 287.359 3.670 20 0 CHADMN CC[C@H](CC(=O)N(C)Cc1cn[nH]c1C)c1ccc(C)cc1 ZINC000636066660 1129198014 /nfs/dbraw/zinc/19/80/14/1129198014.db2.gz FIOBZQDBTNNJNM-OAHLLOKOSA-N 0 1 299.418 3.569 20 0 CHADMN CCc1nn(C)c(Cl)c1CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000768261309 1129849197 /nfs/dbraw/zinc/84/91/97/1129849197.db2.gz AVNJSFYSQQBSJD-VXGBXAGGSA-N 0 1 283.847 3.646 20 0 CHADMN CC(F)(F)C1(C(=O)Nc2cc(Cl)c(O)cc2F)CC1 ZINC001118764792 1131236239 /nfs/dbraw/zinc/23/62/39/1131236239.db2.gz YSUNXYXUSKGINU-UHFFFAOYSA-N 0 1 293.672 3.559 20 0 CHADMN C[C@H](N(C)Cc1c(Cl)nc2ccccn21)C(C)(C)C ZINC000768543406 1129863798 /nfs/dbraw/zinc/86/37/98/1129863798.db2.gz JCYYUCJBLWQDDM-NSHDSACASA-N 0 1 279.815 3.854 20 0 CHADMN CCCC[C@H](C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000800510632 1129881891 /nfs/dbraw/zinc/88/18/91/1129881891.db2.gz SAFODKGSJCUNGL-LBPRGKRZSA-N 0 1 280.387 3.652 20 0 CHADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1ccc(C2CC2)cc1 ZINC000621916635 1129206146 /nfs/dbraw/zinc/20/61/46/1129206146.db2.gz SIHSFJUXNLEXNV-UHFFFAOYSA-N 0 1 295.264 3.558 20 0 CHADMN O=S(=O)(Nc1ccc2ccccc2c1)c1ccsc1 ZINC000795277323 1129208652 /nfs/dbraw/zinc/20/86/52/1129208652.db2.gz HUAITELBOJJHPY-UHFFFAOYSA-N 0 1 289.381 3.702 20 0 CHADMN CCC[N@@H+](CC1CCCCC1)[C@H](C(=O)[O-])[C@H](C)CC ZINC000903595029 1130183717 /nfs/dbraw/zinc/18/37/17/1130183717.db2.gz IPZLMSNAODBJPT-HIFRSBDPSA-N 0 1 269.429 3.778 20 0 CHADMN CC(=O)c1cc(C[N@@H+]2C[C@H](c3ccccc3C)C[C@H]2C)on1 ZINC000555880729 1126708469 /nfs/dbraw/zinc/70/84/69/1126708469.db2.gz WIDKWEXPNKDTCM-UKRRQHHQSA-N 0 1 298.386 3.564 20 0 CHADMN CC(=O)c1cc(CN2C[C@H](c3ccccc3C)C[C@H]2C)on1 ZINC000555880729 1126708472 /nfs/dbraw/zinc/70/84/72/1126708472.db2.gz WIDKWEXPNKDTCM-UKRRQHHQSA-N 0 1 298.386 3.564 20 0 CHADMN CC(=O)c1cc(C[N@@H+]2C[C@@H](c3ccccc3C)C[C@H]2C)on1 ZINC000555880728 1126708518 /nfs/dbraw/zinc/70/85/18/1126708518.db2.gz WIDKWEXPNKDTCM-HIFRSBDPSA-N 0 1 298.386 3.564 20 0 CHADMN CC(=O)c1cc(CN2C[C@@H](c3ccccc3C)C[C@H]2C)on1 ZINC000555880728 1126708521 /nfs/dbraw/zinc/70/85/21/1126708521.db2.gz WIDKWEXPNKDTCM-HIFRSBDPSA-N 0 1 298.386 3.564 20 0 CHADMN CCN(Cc1nccs1)[C@H](C)Cc1ccc(OC)cc1 ZINC000135065323 1126709648 /nfs/dbraw/zinc/70/96/48/1126709648.db2.gz PRTRUKATSFOMRF-CYBMUJFWSA-N 0 1 290.432 3.605 20 0 CHADMN COc1cccc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000481727704 1126709831 /nfs/dbraw/zinc/70/98/31/1126709831.db2.gz JFEFUWKYNGKELW-BXUZGUMPSA-N 0 1 287.325 3.858 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H](CO)CC2CCCC2)cs1 ZINC000338021488 1126711852 /nfs/dbraw/zinc/71/18/52/1126711852.db2.gz UVNGGDSDODOAHZ-TZMCWYRMSA-N 0 1 296.480 3.858 20 0 CHADMN CN(CCC1CC1)Cc1ncc(-c2ccccc2)o1 ZINC000135307055 1126716630 /nfs/dbraw/zinc/71/66/30/1126716630.db2.gz ZYXNLMNCSBXGFW-UHFFFAOYSA-N 0 1 256.349 3.574 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1Cc1csc(NC(C)=O)n1 ZINC000135347369 1126716952 /nfs/dbraw/zinc/71/69/52/1126716952.db2.gz DMXRMJPTOZJYKE-FZMZJTMJSA-N 0 1 295.452 3.502 20 0 CHADMN COc1cc2c(cc1F)CC[C@H]2N[C@H](C)c1ccco1 ZINC000338023581 1126712764 /nfs/dbraw/zinc/71/27/64/1126712764.db2.gz SSPCDWFXFSBHKU-QMTHXVAHSA-N 0 1 275.323 3.765 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccccc1F ZINC000481754396 1126713153 /nfs/dbraw/zinc/71/31/53/1126713153.db2.gz WRRIACOHEMYHCD-JQWIXIFHSA-N 0 1 275.289 3.989 20 0 CHADMN CSC[C@@H]1CCCN1Cc1coc(-c2cccs2)n1 ZINC000135444330 1126718326 /nfs/dbraw/zinc/71/83/26/1126718326.db2.gz WVDBUQKMNKURHW-LBPRGKRZSA-N 0 1 294.445 3.731 20 0 CHADMN Cc1ccc2cc(CN3CCC[C@@H](OC(F)F)C3)[nH]c2c1 ZINC000667962685 1126719834 /nfs/dbraw/zinc/71/98/34/1126719834.db2.gz WXERFPQNTMZPNF-CQSZACIVSA-N 0 1 294.345 3.680 20 0 CHADMN CCS[C@H]1CCC[C@H]1NCc1csc(C2CC2)n1 ZINC000348471332 1126724802 /nfs/dbraw/zinc/72/48/02/1126724802.db2.gz UFASYMVAMXSRRK-OLZOCXBDSA-N 0 1 282.478 3.784 20 0 CHADMN CCCOC1CCN(Cc2cc(C)cnc2SC)CC1 ZINC001238715697 1131237602 /nfs/dbraw/zinc/23/76/02/1131237602.db2.gz DTNOYBQAEZJVPJ-UHFFFAOYSA-N 0 1 294.464 3.503 20 0 CHADMN CC(C)CC[C@H]1CCCCN1Cc1ncnn1C(C)(C)C ZINC000338273404 1126729689 /nfs/dbraw/zinc/72/96/89/1126729689.db2.gz BNIZMCZMOPMWRN-OAHLLOKOSA-N 0 1 292.471 3.824 20 0 CHADMN CC(C)SCCN1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000338286442 1126731231 /nfs/dbraw/zinc/73/12/31/1126731231.db2.gz SOEXPCIMYGPSPZ-GOEBONIOSA-N 0 1 279.449 3.590 20 0 CHADMN Cc1ccc2c(C[N@H+]3CCCC3(C)C)ccc(O)c2n1 ZINC000338306305 1126732119 /nfs/dbraw/zinc/73/21/19/1126732119.db2.gz NGRRVKJSZYRLBB-UHFFFAOYSA-N 0 1 270.376 3.623 20 0 CHADMN CCO[C@H](C)c1noc(CN(C)[C@H](C)C2CCCCC2)n1 ZINC000338361536 1126738007 /nfs/dbraw/zinc/73/80/07/1126738007.db2.gz UVQYJBXNPCHNAK-CHWSQXEVSA-N 0 1 295.427 3.568 20 0 CHADMN COc1c(Br)cccc1C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000482012423 1126738930 /nfs/dbraw/zinc/73/89/30/1126738930.db2.gz DEENUVSJIFPLGW-PHIMTYICSA-N 0 1 298.224 3.546 20 0 CHADMN COc1c(Br)cccc1CN1C[C@H](C)[C@H](C)C1 ZINC000482012423 1126738934 /nfs/dbraw/zinc/73/89/34/1126738934.db2.gz DEENUVSJIFPLGW-PHIMTYICSA-N 0 1 298.224 3.546 20 0 CHADMN CCCc1cccc(CN(C)Cc2cccn2C)c1 ZINC000482008302 1126739196 /nfs/dbraw/zinc/73/91/96/1126739196.db2.gz RADIGROVUGTNII-UHFFFAOYSA-N 0 1 256.393 3.610 20 0 CHADMN CC(C)[C@@H](N)c1cc(-c2ccccc2Br)no1 ZINC000382679798 1130330518 /nfs/dbraw/zinc/33/05/18/1130330518.db2.gz KTLHWJGAQSJSTB-CYBMUJFWSA-N 0 1 295.180 3.760 20 0 CHADMN CCC[C@@H](C)[C@H](CC)Nc1cnn(-c2ccncc2)c1 ZINC000679128574 1126753159 /nfs/dbraw/zinc/75/31/59/1126753159.db2.gz WMAOCORQXWQGHN-CJNGLKHVSA-N 0 1 272.396 3.894 20 0 CHADMN CCOCc1ccc(CN[C@H](C)c2cncc(F)c2)cc1 ZINC000151640358 1126755917 /nfs/dbraw/zinc/75/59/17/1126755917.db2.gz GXLMVACGCNZIFF-CYBMUJFWSA-N 0 1 288.366 3.608 20 0 CHADMN C=Cn1cc(CN[C@H](C)c2ccc(OC(C)C)cc2)cn1 ZINC000194345328 1126759222 /nfs/dbraw/zinc/75/92/22/1126759222.db2.gz AQEXJVLRMNQBTA-CQSZACIVSA-N 0 1 285.391 3.622 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1nc(C2CC2)no1 ZINC000173993332 1126765073 /nfs/dbraw/zinc/76/50/73/1126765073.db2.gz GTNFXBOPIZILTL-INIZCTEOSA-N 0 1 299.418 3.709 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1c(C2CC2)cnn1C ZINC000668061514 1126763009 /nfs/dbraw/zinc/76/30/09/1126763009.db2.gz JWWKMMHFPLBWAF-PTNGSMBKSA-N 0 1 295.430 3.833 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N(C)Cc1ncc(C)o1 ZINC000173993032 1126764941 /nfs/dbraw/zinc/76/49/41/1126764941.db2.gz YDKHLOHEFGSVQX-MRXNPFEDSA-N 0 1 272.392 3.745 20 0 CHADMN Cc1ccccc1[C@H](CC(C)C)NCc1ccc(CO)o1 ZINC000174383620 1126769245 /nfs/dbraw/zinc/76/92/45/1126769245.db2.gz LQHCFGKHFMRJEK-SFHVURJKSA-N 0 1 287.403 3.957 20 0 CHADMN CC(C)C[C@@H]1CCN(Cc2csc(N(C)C3CC3)n2)C1 ZINC000483238402 1126774289 /nfs/dbraw/zinc/77/42/89/1126774289.db2.gz CUUPRILYSLIAMJ-ZDUSSCGKSA-N 0 1 293.480 3.610 20 0 CHADMN CCN(C)c1ccc(CN2C[C@@H](C)[C@@H]2c2ccccc2)cn1 ZINC000483286887 1126778932 /nfs/dbraw/zinc/77/89/32/1126778932.db2.gz QCSPWXDCPKCRTG-DNVCBOLYSA-N 0 1 295.430 3.731 20 0 CHADMN CC(C)(C)c1cnc(C[N@@H+](CC2CC2)CC2CCC2)o1 ZINC000483261568 1126776572 /nfs/dbraw/zinc/77/65/72/1126776572.db2.gz HEAPGJBDVSPUEU-UHFFFAOYSA-N 0 1 276.424 3.984 20 0 CHADMN FC(F)(F)CC1CN(Cc2cc3ccncc3s2)C1 ZINC000668232629 1126780672 /nfs/dbraw/zinc/78/06/72/1126780672.db2.gz ZZSRDSZNZBFPEI-UHFFFAOYSA-N 0 1 286.322 3.681 20 0 CHADMN CC[C@H]1CCCN(Cc2csc(N(C)C3CC3)n2)CC1 ZINC000483382727 1126784244 /nfs/dbraw/zinc/78/42/44/1126784244.db2.gz JCBPTGFZQPCPNH-ZDUSSCGKSA-N 0 1 293.480 3.754 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2CCC[C@@H](C)C2)no1 ZINC000483322179 1126781145 /nfs/dbraw/zinc/78/11/45/1126781145.db2.gz HDZINVGTKMNZCW-TZMCWYRMSA-N 0 1 285.391 3.713 20 0 CHADMN CCCc1ccc(CN2CC3(C2)CC(F)(F)C3)cc1 ZINC000679219788 1130503803 /nfs/dbraw/zinc/50/38/03/1130503803.db2.gz TVRGSLBRSNNAOV-UHFFFAOYSA-N 0 1 265.347 3.870 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1F ZINC000679228089 1130504981 /nfs/dbraw/zinc/50/49/81/1130504981.db2.gz VHBQXKZHUUHRKX-MFKMUULPSA-N 0 1 275.289 3.885 20 0 CHADMN Cc1ccc2c(c1)CC[N@H+](Cc1cn(C)nc1C(C)(C)C)C2 ZINC000483662659 1126796332 /nfs/dbraw/zinc/79/63/32/1126796332.db2.gz ZIJYISYONDHGGP-UHFFFAOYSA-N 0 1 297.446 3.584 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1cn(C)nc1C(C)(C)C)C2 ZINC000483662659 1126796335 /nfs/dbraw/zinc/79/63/35/1126796335.db2.gz ZIJYISYONDHGGP-UHFFFAOYSA-N 0 1 297.446 3.584 20 0 CHADMN COc1ncc([C@H](C)N[C@@H](C)c2cncs2)cc1Cl ZINC000903311041 1126801057 /nfs/dbraw/zinc/80/10/57/1126801057.db2.gz MHGGCLKUVFRVGC-IUCAKERBSA-N 0 1 297.811 3.612 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1c[nH]nc1C(C)(C)C)C2 ZINC000483657640 1126796492 /nfs/dbraw/zinc/79/64/92/1126796492.db2.gz IEMIZECWRFXYBO-UHFFFAOYSA-N 0 1 283.419 3.574 20 0 CHADMN C[C@H](NCc1ccc(CO)c(F)c1)c1ccccc1Cl ZINC000177246735 1126799353 /nfs/dbraw/zinc/79/93/53/1126799353.db2.gz MMMZKOJITHUUKL-NSHDSACASA-N 0 1 293.769 3.822 20 0 CHADMN Brc1ccc2c(c1)CCN(CCC1CC1)C2 ZINC000483975598 1126806938 /nfs/dbraw/zinc/80/69/38/1126806938.db2.gz HEDORWXGDBWOEU-UHFFFAOYSA-N 0 1 280.209 3.607 20 0 CHADMN CC(C)c1nnc(CN2CC[C@H](c3ccccc3)[C@H]2C)o1 ZINC000177532285 1126802495 /nfs/dbraw/zinc/80/24/95/1126802495.db2.gz FOFGZGKFLRCCKQ-HIFRSBDPSA-N 0 1 285.391 3.571 20 0 CHADMN CCc1ccc(CNCc2cn3cc(C)ccc3n2)s1 ZINC000066593897 1126806449 /nfs/dbraw/zinc/80/64/49/1126806449.db2.gz VLVQWQHQBOWUEA-UHFFFAOYSA-N 0 1 285.416 3.556 20 0 CHADMN CC1(C)CC[C@H](CN2CCc3cc(Cl)ccc3C2)O1 ZINC000483975368 1126806835 /nfs/dbraw/zinc/80/68/35/1126806835.db2.gz FUOVLFAMFUDNNI-OAHLLOKOSA-N 0 1 279.811 3.656 20 0 CHADMN C[C@@H]1CCN(Cc2nnc(-c3ccccc3Cl)o2)[C@@H]1C ZINC000177906743 1126807341 /nfs/dbraw/zinc/80/73/41/1126807341.db2.gz WTDIBDSAPXCRGF-GHMZBOCLSA-N 0 1 291.782 3.620 20 0 CHADMN COc1ccc([C@H](C)NCc2cn3c(cccc3C)n2)cc1 ZINC000178061215 1126808834 /nfs/dbraw/zinc/80/88/34/1126808834.db2.gz CNKIMVBTQOLHDK-AWEZNQCLSA-N 0 1 295.386 3.502 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccc(C)o1 ZINC000178301499 1126811259 /nfs/dbraw/zinc/81/12/59/1126811259.db2.gz WNQCRWMIEXPUJL-WFASDCNBSA-N 0 1 271.360 3.935 20 0 CHADMN CCN(CC)c1ccc(CN[C@@H](C)c2ccsc2)cn1 ZINC000178415620 1126812779 /nfs/dbraw/zinc/81/27/79/1126812779.db2.gz XMASROMAZVFXFH-ZDUSSCGKSA-N 0 1 289.448 3.840 20 0 CHADMN Fc1ccc2c(c1)[C@H](Sc1nc(C3CC3)n[nH]1)CC2 ZINC000178413363 1126813064 /nfs/dbraw/zinc/81/30/64/1126813064.db2.gz DNZMAJDCPSYLHP-GFCCVEGCSA-N 0 1 275.352 3.601 20 0 CHADMN Fc1ccc2c(c1)[C@H](Sc1n[nH]c(C3CC3)n1)CC2 ZINC000178413363 1126813067 /nfs/dbraw/zinc/81/30/67/1126813067.db2.gz DNZMAJDCPSYLHP-GFCCVEGCSA-N 0 1 275.352 3.601 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccc([C@@H](C)O)cc2)o1 ZINC000178557231 1126816323 /nfs/dbraw/zinc/81/63/23/1126816323.db2.gz LZPIPEIRFYJESO-CHWSQXEVSA-N 0 1 273.376 3.746 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccc([C@H](C)O)cc2)o1 ZINC000178557256 1126816342 /nfs/dbraw/zinc/81/63/42/1126816342.db2.gz LZPIPEIRFYJESO-STQMWFEESA-N 0 1 273.376 3.746 20 0 CHADMN COc1cccc(CN[C@H]2CC(C)(C)c3ccccc32)n1 ZINC000178755388 1126819447 /nfs/dbraw/zinc/81/94/47/1126819447.db2.gz VPVXITYCFOPKIJ-INIZCTEOSA-N 0 1 282.387 3.602 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(Cl)nc1)c1cccnc1 ZINC000179096439 1126823327 /nfs/dbraw/zinc/82/33/27/1126823327.db2.gz PWQOHEHVHIOLDX-GHMZBOCLSA-N 0 1 261.756 3.542 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccn1)c1ccc(Cl)nc1 ZINC000179093715 1126823475 /nfs/dbraw/zinc/82/34/75/1126823475.db2.gz LSGSCYQZYXTEFT-GHMZBOCLSA-N 0 1 261.756 3.542 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(Cc2cccc(Cl)c2)no1 ZINC000904079707 1126826963 /nfs/dbraw/zinc/82/69/63/1126826963.db2.gz LIZDUCMSRNNPAQ-ZDUSSCGKSA-N 0 1 293.798 3.620 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2cc3ccccc3cc2F)n1 ZINC000904076157 1126827019 /nfs/dbraw/zinc/82/70/19/1126827019.db2.gz XFXIPASEDVFLPJ-AWEZNQCLSA-N 0 1 285.322 3.685 20 0 CHADMN COCc1cccc(CN2CCC[C@H](C(F)(F)F)C2)c1 ZINC000179185255 1126825051 /nfs/dbraw/zinc/82/50/51/1126825051.db2.gz UDPAEDLPFSFICD-AWEZNQCLSA-N 0 1 287.325 3.607 20 0 CHADMN CC(C)[C@H](N)c1noc(CCCc2ccc(C3CC3)cc2)n1 ZINC000904075765 1126826528 /nfs/dbraw/zinc/82/65/28/1126826528.db2.gz QNYBPIICTFWHGC-KRWDZBQOSA-N 0 1 299.418 3.778 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(Cc2ccccc2Cl)no1 ZINC000904081265 1126827800 /nfs/dbraw/zinc/82/78/00/1126827800.db2.gz RPUIQICUTSVSJF-ZDUSSCGKSA-N 0 1 293.798 3.620 20 0 CHADMN C/C=C(\C)C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000179452385 1126828315 /nfs/dbraw/zinc/82/83/15/1126828315.db2.gz QZCIPYQKPYMJIL-HIICFIELSA-N 0 1 297.402 3.544 20 0 CHADMN C[C@H](c1noc([C@@H]2CC[C@H]3CCCC[C@@H]3N2)n1)C1CC1 ZINC000904098024 1126828447 /nfs/dbraw/zinc/82/84/47/1126828447.db2.gz MEMZORSEXOKGBZ-GHYVTOPFSA-N 0 1 275.396 3.566 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(-c2cccc3cnccc32)no1 ZINC000904092574 1126830234 /nfs/dbraw/zinc/83/02/34/1126830234.db2.gz PTKWGNBBRZWZRC-HNNXBMFYSA-N 0 1 296.374 3.591 20 0 CHADMN Cc1occc1CN(C)Cc1cn(C)nc1-c1ccccc1 ZINC000179839935 1126835113 /nfs/dbraw/zinc/83/51/13/1126835113.db2.gz ZCADTFISXAYWLW-UHFFFAOYSA-N 0 1 295.386 3.621 20 0 CHADMN CCCSCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179856610 1126835435 /nfs/dbraw/zinc/83/54/35/1126835435.db2.gz QBIFOXKGSREVCC-UHFFFAOYSA-N 0 1 299.346 3.582 20 0 CHADMN CC(C)n1cc(CN2CCC[C@@H](Nc3ccccc3)C2)cn1 ZINC000179966505 1126837920 /nfs/dbraw/zinc/83/79/20/1126837920.db2.gz SQWRHTIZBVHMIA-GOSISDBHSA-N 0 1 298.434 3.541 20 0 CHADMN COc1ccccc1OCCN1CC[C@@H]1c1ccccc1 ZINC000348538969 1126842773 /nfs/dbraw/zinc/84/27/73/1126842773.db2.gz IPZLAQZHFDWYMB-MRXNPFEDSA-N 0 1 283.371 3.521 20 0 CHADMN OC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Oc2ccccc2)o1 ZINC000180420164 1126843657 /nfs/dbraw/zinc/84/36/57/1126843657.db2.gz ALTQNCXXPUOLPY-YIONKMFJSA-N 0 1 299.370 3.560 20 0 CHADMN CC(C)N(Cc1nccn1Cc1ccccc1)C(C)C ZINC000180450248 1126844544 /nfs/dbraw/zinc/84/45/44/1126844544.db2.gz UOWOBFVQNXHVEL-UHFFFAOYSA-N 0 1 271.408 3.550 20 0 CHADMN CC(C)OCCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180549005 1126846580 /nfs/dbraw/zinc/84/65/80/1126846580.db2.gz NWONSIFZTCCCKR-ZDUSSCGKSA-N 0 1 293.304 3.834 20 0 CHADMN COc1cccc(CN(C(C)C)C2CC2)c1Cl ZINC000659841286 1126846645 /nfs/dbraw/zinc/84/66/45/1126846645.db2.gz BJXHEXQHZNSJBX-UHFFFAOYSA-N 0 1 253.773 3.721 20 0 CHADMN CCOc1cccc([C@H](C)NCc2ccnc(Cl)c2)c1 ZINC000180694932 1126847307 /nfs/dbraw/zinc/84/73/07/1126847307.db2.gz DJOVEYKNEVZNBF-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN C[C@@H](O)CN[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000181048429 1126851561 /nfs/dbraw/zinc/85/15/61/1126851561.db2.gz JLKUTJBSNFHDKF-BZNIZROVSA-N 0 1 293.769 3.539 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000904401606 1126851867 /nfs/dbraw/zinc/85/18/67/1126851867.db2.gz RXUQIOJHGAZIJI-GUYCJALGSA-N 0 1 293.382 3.506 20 0 CHADMN COCCN(Cc1ncc(C(C)(C)C)o1)[C@H]1CC[C@H](C)C1 ZINC000484874615 1126852886 /nfs/dbraw/zinc/85/28/86/1126852886.db2.gz AKRXJQRSXFTXJE-KBPBESRZSA-N 0 1 294.439 3.609 20 0 CHADMN Cc1ccccc1[C@H](C)NCc1cccc(Cl)n1 ZINC000181539192 1126857517 /nfs/dbraw/zinc/85/75/17/1126857517.db2.gz UHGCDXJDGMEEJR-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN CC(C)c1nnc(CN[C@H](C)C(C)(C)c2ccccc2)o1 ZINC000181793478 1126860668 /nfs/dbraw/zinc/86/06/68/1126860668.db2.gz XXGSXAKVXGYRTD-CYBMUJFWSA-N 0 1 287.407 3.649 20 0 CHADMN C[C@@H](NCc1cocn1)[C@H](C)c1ccccc1C(F)(F)F ZINC000182076319 1126865856 /nfs/dbraw/zinc/86/58/56/1126865856.db2.gz MMAISKDBPJIOGS-WDEREUQCSA-N 0 1 298.308 3.975 20 0 CHADMN CC(C)(c1noc(C23CCC(CC2)N3)n1)C1CCCCC1 ZINC000904695493 1126867768 /nfs/dbraw/zinc/86/77/68/1126867768.db2.gz POIHHMKMKFEVCT-UHFFFAOYSA-N 0 1 289.423 3.669 20 0 CHADMN C[C@@H](NC1(c2cccc(F)c2)CC1)c1ccc2c(c1)OCO2 ZINC000182215630 1126868296 /nfs/dbraw/zinc/86/82/96/1126868296.db2.gz CMLNGJVYXBSCBL-GFCCVEGCSA-N 0 1 299.345 3.894 20 0 CHADMN CCN(Cc1ccccc1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000485006980 1126870811 /nfs/dbraw/zinc/87/08/11/1126870811.db2.gz VGVXEQJRRUYLKR-INIZCTEOSA-N 0 1 296.414 3.844 20 0 CHADMN CCN(Cc1ccccc1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000485006981 1126871091 /nfs/dbraw/zinc/87/10/91/1126871091.db2.gz VGVXEQJRRUYLKR-MRXNPFEDSA-N 0 1 296.414 3.844 20 0 CHADMN CN(CCCc1c(Cl)cccc1Cl)Cc1c[nH]cn1 ZINC000668421810 1126871696 /nfs/dbraw/zinc/87/16/96/1126871696.db2.gz GSAPJQGJNNRJTM-UHFFFAOYSA-N 0 1 298.217 3.781 20 0 CHADMN CN(C)Cc1cc(-c2cccc(CO)c2Cl)ccc1F ZINC000904805454 1126876950 /nfs/dbraw/zinc/87/69/50/1126876950.db2.gz APBNJKOOQUHESW-UHFFFAOYSA-N 0 1 293.769 3.700 20 0 CHADMN CCN(c1ccc(N[C@@H](C)[C@@H]2CCOC2)cc1)C(C)C ZINC000182773600 1126877596 /nfs/dbraw/zinc/87/75/96/1126877596.db2.gz IFTKZZCCHDGPBZ-LSDHHAIUSA-N 0 1 276.424 3.758 20 0 CHADMN Fc1c(Cl)cc(Cl)cc1O[C@@H]1CN2CCC1CC2 ZINC001234928536 1130692906 /nfs/dbraw/zinc/69/29/06/1130692906.db2.gz CMWHMTSJWCSZTF-GFCCVEGCSA-N 0 1 290.165 3.606 20 0 CHADMN C[C@H](c1cccc(O)c1)N(C)CCC(=O)c1ccccc1 ZINC000182654335 1126875944 /nfs/dbraw/zinc/87/59/44/1126875944.db2.gz HPHHGIDPEJVKHS-CQSZACIVSA-N 0 1 283.371 3.658 20 0 CHADMN CCCc1ccc(-c2cnc([C@@H]3CCCCN3)nc2)cc1 ZINC000904887922 1126880418 /nfs/dbraw/zinc/88/04/18/1126880418.db2.gz GNBOBNMCFZGSRG-KRWDZBQOSA-N 0 1 281.403 3.911 20 0 CHADMN C[C@@H](NCc1nc(C(C)(C)C)no1)[C@@H](C)c1ccccc1 ZINC000183351970 1126885828 /nfs/dbraw/zinc/88/58/28/1126885828.db2.gz CEMVWRSUVQXTTQ-CHWSQXEVSA-N 0 1 287.407 3.649 20 0 CHADMN C[C@H](c1cccnc1)N(C)CC1=Cc2ccccc2OC1 ZINC000183729542 1126891555 /nfs/dbraw/zinc/89/15/55/1126891555.db2.gz FTBWJRGXIVZZJS-CQSZACIVSA-N 0 1 280.371 3.550 20 0 CHADMN FC(F)(F)Sc1cccc(CN2CCSCC2)c1 ZINC000781327741 1130715470 /nfs/dbraw/zinc/71/54/70/1130715470.db2.gz QXBHWVJEIJHGNB-UHFFFAOYSA-N 0 1 293.379 3.847 20 0 CHADMN C[C@H](C[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1)CC(C)(C)C ZINC000905373481 1126899387 /nfs/dbraw/zinc/89/93/87/1126899387.db2.gz QPMCETZIPHUWFP-DZGCQCFKSA-N 0 1 277.408 3.816 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1)CC(C)(C)C ZINC000905373482 1126899394 /nfs/dbraw/zinc/89/93/94/1126899394.db2.gz QPMCETZIPHUWFP-HIFRSBDPSA-N 0 1 277.408 3.816 20 0 CHADMN COc1ccsc1CN1CCC(c2ccco2)CC1 ZINC000668461861 1126904388 /nfs/dbraw/zinc/90/43/88/1126904388.db2.gz GVDMONRYKODLQQ-UHFFFAOYSA-N 0 1 277.389 3.729 20 0 CHADMN COc1ccc(CN2CCC(c3ccco3)CC2)c(F)c1 ZINC000668463479 1126905358 /nfs/dbraw/zinc/90/53/58/1126905358.db2.gz QZVRVCPKFFMEOG-UHFFFAOYSA-N 0 1 289.350 3.807 20 0 CHADMN COc1cccc(CN2CCC(c3ccco3)CC2)c1F ZINC000668463644 1126906781 /nfs/dbraw/zinc/90/67/81/1126906781.db2.gz VNIUGRFMPZCTID-UHFFFAOYSA-N 0 1 289.350 3.807 20 0 CHADMN CCc1ccc(C)nc1N[C@H]1CCCSCC1 ZINC000668479101 1126911390 /nfs/dbraw/zinc/91/13/90/1126911390.db2.gz SSXSIGYQYGQYQM-ZDUSSCGKSA-N 0 1 250.411 3.650 20 0 CHADMN c1c[nH]c([C@H](NCCC2CCCC2)c2ccccc2)n1 ZINC000187723056 1126913455 /nfs/dbraw/zinc/91/34/55/1126913455.db2.gz LJDOHCSHONNYIW-MRXNPFEDSA-N 0 1 269.392 3.669 20 0 CHADMN CCN(Cc1nccn1C(F)F)[C@@H](C)Cc1ccsc1 ZINC000187785098 1126914453 /nfs/dbraw/zinc/91/44/53/1126914453.db2.gz MUCIHMFQGNZJPN-NSHDSACASA-N 0 1 299.390 3.793 20 0 CHADMN Cc1nccnc1[C@H](C)NCCOc1ccc(C(C)C)cc1 ZINC000187866342 1126915610 /nfs/dbraw/zinc/91/56/10/1126915610.db2.gz FQVCYQPHEVJFEX-HNNXBMFYSA-N 0 1 299.418 3.638 20 0 CHADMN CCC[C@@H](NCc1cccc(N(C)C)n1)c1ccsc1 ZINC000187806676 1126916118 /nfs/dbraw/zinc/91/61/18/1126916118.db2.gz GHACTUKKIMXVAC-OAHLLOKOSA-N 0 1 289.448 3.840 20 0 CHADMN CC[C@@H](c1ccccc1)n1cc(CN(C)C(C)(C)C)nn1 ZINC000905797233 1126916275 /nfs/dbraw/zinc/91/62/75/1126916275.db2.gz GNUMWKNJOMCWLW-INIZCTEOSA-N 0 1 286.423 3.508 20 0 CHADMN Cc1cccc([C@@H](C)N[C@H](C)c2nccnc2C)c1C ZINC000188019525 1126918378 /nfs/dbraw/zinc/91/83/78/1126918378.db2.gz QHHXBMGPTXUDGO-UKRRQHHQSA-N 0 1 269.392 3.814 20 0 CHADMN Cc1nccnc1[C@H](C)NC1(c2ccccc2)CCC1 ZINC000188341192 1126922734 /nfs/dbraw/zinc/92/27/34/1126922734.db2.gz IOSNLRLCHJSDKI-AWEZNQCLSA-N 0 1 267.376 3.515 20 0 CHADMN CC=C(CC)C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000188558838 1126923782 /nfs/dbraw/zinc/92/37/82/1126923782.db2.gz YNAWNQHEWKOQEF-HYMFSAHRSA-N 0 1 285.391 3.733 20 0 CHADMN CO[C@H]1CCC[C@H](Nc2nccc(C)c2C2CC2)C1 ZINC000668511838 1126923971 /nfs/dbraw/zinc/92/39/71/1126923971.db2.gz LLYNEKNNVMTNAC-KBPBESRZSA-N 0 1 260.381 3.637 20 0 CHADMN Cc1ccnc(N[C@H]2CCO[C@H](C(C)C)C2)c1C1CC1 ZINC000668512551 1126924175 /nfs/dbraw/zinc/92/41/75/1126924175.db2.gz NXUVJAHNEZKGSR-GJZGRUSLSA-N 0 1 274.408 3.883 20 0 CHADMN Fc1cccc([C@@H](NC[C@@H]2CCC=CO2)c2ccccn2)c1 ZINC000188570241 1126924596 /nfs/dbraw/zinc/92/45/96/1126924596.db2.gz QRUKBYDKIFXZDS-FUHWJXTLSA-N 0 1 298.361 3.592 20 0 CHADMN C[C@H](N[C@H]1CS[C@@H](C(C)(C)C)C1)c1cscn1 ZINC000668504053 1126920064 /nfs/dbraw/zinc/92/00/64/1126920064.db2.gz QOTCJPZMMCKVCS-HOSYDEDBSA-N 0 1 270.467 3.714 20 0 CHADMN C/C=C(\CC)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000188711525 1126925657 /nfs/dbraw/zinc/92/56/57/1126925657.db2.gz NRGZNWCGZKLXTI-DQNFTHGOSA-N 0 1 297.402 3.891 20 0 CHADMN CN(CCc1nccs1)Cc1ccc(Cl)cc1F ZINC000189132367 1126928682 /nfs/dbraw/zinc/92/86/82/1126928682.db2.gz SGBLUWSMFIWYQM-UHFFFAOYSA-N 0 1 284.787 3.610 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC([C@@H]2CCCO2)CC1 ZINC000189242153 1126929796 /nfs/dbraw/zinc/92/97/96/1126929796.db2.gz FGPFEQPRZHDUMU-PXAZEXFGSA-N 0 1 295.373 3.917 20 0 CHADMN Fc1cc(-c2cnc([C@H]3CCCCN3)nc2)ccc1Cl ZINC000906191881 1126936557 /nfs/dbraw/zinc/93/65/57/1126936557.db2.gz ALJRXXGRKDQUQE-CQSZACIVSA-N 0 1 291.757 3.751 20 0 CHADMN Cc1cncc(C[N@H+](C)Cc2ccccc2N2CCCC2)c1 ZINC000189749414 1126934214 /nfs/dbraw/zinc/93/42/14/1126934214.db2.gz KELBMUHTBTVMFN-UHFFFAOYSA-N 0 1 295.430 3.622 20 0 CHADMN Cc1cncc(CN(C)Cc2ccccc2N2CCCC2)c1 ZINC000189749414 1126934216 /nfs/dbraw/zinc/93/42/16/1126934216.db2.gz KELBMUHTBTVMFN-UHFFFAOYSA-N 0 1 295.430 3.622 20 0 CHADMN Cc1cncc(CN(C)[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000189759770 1126934880 /nfs/dbraw/zinc/93/48/80/1126934880.db2.gz KWRURYJODFISAH-GFCCVEGCSA-N 0 1 276.330 3.861 20 0 CHADMN CC/C=C/CCN1CCC[C@@H]1c1csc(C)n1 ZINC000189808442 1126935093 /nfs/dbraw/zinc/93/50/93/1126935093.db2.gz JIUNTBYYFCGCCU-ISZGNANSSA-N 0 1 250.411 3.945 20 0 CHADMN CCOc1cc(CN(C)[C@H]2CC[C@H](C)CC2)c(F)cn1 ZINC001238733793 1131239063 /nfs/dbraw/zinc/23/90/63/1131239063.db2.gz FSKZDQSZMRLIKK-MQMHXKEQSA-N 0 1 280.387 3.630 20 0 CHADMN CSc1cccc(-c2cnc([C@H]3CCCCN3)nc2)c1 ZINC000906193256 1126939644 /nfs/dbraw/zinc/93/96/44/1126939644.db2.gz MQZFSAPWTVMWBC-OAHLLOKOSA-N 0 1 285.416 3.680 20 0 CHADMN CC[C@@H](C)CC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000190724444 1126943551 /nfs/dbraw/zinc/94/35/51/1126943551.db2.gz VRBWRJLHOBUHHH-MLGOLLRUSA-N 0 1 299.418 3.971 20 0 CHADMN CCc1ccc([C@@H](NCc2cn(C3CC3)nn2)C(C)C)cc1 ZINC000906276387 1126942834 /nfs/dbraw/zinc/94/28/34/1126942834.db2.gz LMSHGLKIBIYCSX-SFHVURJKSA-N 0 1 298.434 3.662 20 0 CHADMN Cc1cc(CN[C@H]2CCOc3c(F)cccc32)ccc1F ZINC000191125287 1126947768 /nfs/dbraw/zinc/94/77/68/1126947768.db2.gz LGUCKTJYSUQJIB-INIZCTEOSA-N 0 1 289.325 3.887 20 0 CHADMN Cc1c([C@H](C)N[C@@H](C)c2cccnc2)cnn1C(C)C ZINC000191125560 1126948193 /nfs/dbraw/zinc/94/81/93/1126948193.db2.gz HHUQGFYKOXPFMI-STQMWFEESA-N 0 1 272.396 3.579 20 0 CHADMN CCC(CC)[C@@H](NCc1cn(C2CC2)nn1)c1ccccc1 ZINC000906288522 1126945222 /nfs/dbraw/zinc/94/52/22/1126945222.db2.gz YGBJHYHUNNGPEK-GOSISDBHSA-N 0 1 298.434 3.880 20 0 CHADMN CCC(C)(C)CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000191830539 1126956183 /nfs/dbraw/zinc/95/61/83/1126956183.db2.gz SPQCFHWPGPDESU-CQSZACIVSA-N 0 1 275.371 3.664 20 0 CHADMN CC(C)(C(=O)Nc1cccc(C(F)F)c1)N1CCCCC1 ZINC000906500861 1126957814 /nfs/dbraw/zinc/95/78/14/1126957814.db2.gz IPLFFVAZSVGVCZ-UHFFFAOYSA-N 0 1 296.361 3.827 20 0 CHADMN Fc1cccc([C@@H]2C[C@H]2N2CCC(c3ncco3)CC2)c1 ZINC000906591784 1126959432 /nfs/dbraw/zinc/95/94/32/1126959432.db2.gz XVNQVRJIEJBAEX-JKSUJKDBSA-N 0 1 286.350 3.549 20 0 CHADMN Cc1cccc(C2(CNCc3cocn3)CCCC2)c1 ZINC000192304590 1126960021 /nfs/dbraw/zinc/96/00/21/1126960021.db2.gz WARLYSXJXMTEJB-UHFFFAOYSA-N 0 1 270.376 3.585 20 0 CHADMN OC1(c2ccccc2Cl)CCN([C@H]2C=CCCC2)CC1 ZINC000193138833 1126966532 /nfs/dbraw/zinc/96/65/32/1126966532.db2.gz STOWSLXLEDCNPA-AWEZNQCLSA-N 0 1 291.822 3.732 20 0 CHADMN CCc1nc[nH]c1C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000906877022 1126967024 /nfs/dbraw/zinc/96/70/24/1126967024.db2.gz ZWMVCZNEZYQWPM-UHFFFAOYSA-N 0 1 297.280 3.552 20 0 CHADMN CCc1oc2ccccc2c1CN(C)Cc1ccnc(N)c1 ZINC000193289745 1126968427 /nfs/dbraw/zinc/96/84/27/1126968427.db2.gz ZYPMKFWKXRHVTM-UHFFFAOYSA-N 0 1 295.386 3.604 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1CCC=CCCC1 ZINC000907199317 1126974154 /nfs/dbraw/zinc/97/41/54/1126974154.db2.gz RNDMPSBRIGSLLR-SNVBAGLBSA-N 0 1 283.322 3.731 20 0 CHADMN C[C@@H]1CCN(Cc2sccc2Cl)C[C@@H]1n1ccnc1 ZINC000194433472 1126974655 /nfs/dbraw/zinc/97/46/55/1126974655.db2.gz GZUPTPGVTPRTRU-YPMHNXCESA-N 0 1 295.839 3.681 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(O)c1 ZINC000194873195 1126976741 /nfs/dbraw/zinc/97/67/41/1126976741.db2.gz YVXUXJWGWLPXSD-MDASCCDHSA-N 0 1 297.398 3.963 20 0 CHADMN CC(C)[C@@H]1CCC[C@@H](N[C@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000195024438 1126977860 /nfs/dbraw/zinc/97/78/60/1126977860.db2.gz NVUBKPFVJNKJDG-OIISXLGYSA-N 0 1 298.434 3.699 20 0 CHADMN CCSc1cc(CN[C@@H](C)c2cccc(O)c2)ccn1 ZINC000194965059 1126977893 /nfs/dbraw/zinc/97/78/93/1126977893.db2.gz HKPSFKHVXRUVCG-LBPRGKRZSA-N 0 1 288.416 3.750 20 0 CHADMN CC(C)CC(C)(C)CN[C@@H](c1ncc[nH]1)c1cccnc1 ZINC000195075640 1126978205 /nfs/dbraw/zinc/97/82/05/1126978205.db2.gz QTNOANNIGSWMHC-OAHLLOKOSA-N 0 1 286.423 3.556 20 0 CHADMN Cc1ccc(-c2cnc(CN(C)C3CCC3)o2)cc1 ZINC000266568816 1126984837 /nfs/dbraw/zinc/98/48/37/1126984837.db2.gz CDUIGZHLUAWUQG-UHFFFAOYSA-N 0 1 256.349 3.634 20 0 CHADMN Cc1csc(CN2CCC[C@@H]2c2ccccc2)n1 ZINC000266893155 1126989807 /nfs/dbraw/zinc/98/98/07/1126989807.db2.gz TWRBFKAFPUULJF-CQSZACIVSA-N 0 1 258.390 3.789 20 0 CHADMN C[C@@H]1[C@@H](Cc2ccccc2)CCN1Cc1cscn1 ZINC000266936268 1126991236 /nfs/dbraw/zinc/99/12/36/1126991236.db2.gz OJMVYGIAAJIQFT-UKRRQHHQSA-N 0 1 272.417 3.596 20 0 CHADMN Fc1ccc2cc(CNCc3cc(F)cc(F)c3)[nH]c2c1 ZINC000486672272 1126994557 /nfs/dbraw/zinc/99/45/57/1126994557.db2.gz CFYXEWUZNZZRQE-UHFFFAOYSA-N 0 1 290.288 3.875 20 0 CHADMN CC(C)CC[C@H]1CCCN1CC(=O)Nc1ccccc1F ZINC000486772052 1127001298 /nfs/dbraw/zinc/00/12/98/1127001298.db2.gz BDADCGOUFDHLDE-CQSZACIVSA-N 0 1 292.398 3.665 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC000486781168 1127001496 /nfs/dbraw/zinc/00/14/96/1127001496.db2.gz RJKASZLHYQMXPP-GDBMZVCRSA-N 0 1 263.429 3.865 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1nc(CCCC)no1 ZINC000486777171 1127001608 /nfs/dbraw/zinc/00/16/08/1127001608.db2.gz QWRJIGZNIACCPZ-CQSZACIVSA-N 0 1 279.428 3.957 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC000486781170 1127001915 /nfs/dbraw/zinc/00/19/15/1127001915.db2.gz RJKASZLHYQMXPP-GOEBONIOSA-N 0 1 263.429 3.865 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1nc(CCC)no1 ZINC000486810444 1127003959 /nfs/dbraw/zinc/00/39/59/1127003959.db2.gz RILFSKNIZHQLCA-ZDUSSCGKSA-N 0 1 265.401 3.567 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccc(F)cc3)C2)cs1 ZINC000268035463 1127010938 /nfs/dbraw/zinc/01/09/38/1127010938.db2.gz NSXDWXRMRMKQKT-ZDUSSCGKSA-N 0 1 276.380 3.580 20 0 CHADMN CCc1noc(C)c1CN(CC)Cc1ccc(OC)cc1 ZINC000268153803 1127013507 /nfs/dbraw/zinc/01/35/07/1127013507.db2.gz NGGVNCSMGLMVNJ-UHFFFAOYSA-N 0 1 288.391 3.576 20 0 CHADMN Cc1ccsc1CN[C@H](C)c1cccnc1Cl ZINC000268790102 1127024305 /nfs/dbraw/zinc/02/43/05/1127024305.db2.gz FNLMBHZRXBZWQT-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1ccsc1[C@@H](C)NCc1cn2ccsc2n1 ZINC000268790322 1127024359 /nfs/dbraw/zinc/02/43/59/1127024359.db2.gz FWWQXHZSVLTCQT-SNVBAGLBSA-N 0 1 277.418 3.617 20 0 CHADMN COc1ccsc1CNC(C)(C)c1cccc(F)c1 ZINC000268794860 1127024434 /nfs/dbraw/zinc/02/44/34/1127024434.db2.gz NQEKNSKMDSNGCN-UHFFFAOYSA-N 0 1 279.380 3.921 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2cc(Cl)cs2)n[nH]1 ZINC000487159760 1127020372 /nfs/dbraw/zinc/02/03/72/1127020372.db2.gz NQUAOQVUDDFALF-DTWKUNHWSA-N 0 1 298.843 3.884 20 0 CHADMN CN(C)c1ccc(CN[C@H]2CC(C)(C)Cc3occc32)cn1 ZINC000268762724 1127022356 /nfs/dbraw/zinc/02/23/56/1127022356.db2.gz MDZKBCYPOJLXHL-HNNXBMFYSA-N 0 1 299.418 3.544 20 0 CHADMN CC(C)c1ccc(N(C)C(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000268759137 1127023034 /nfs/dbraw/zinc/02/30/34/1127023034.db2.gz PNOMLWWPODATLX-OAHLLOKOSA-N 0 1 297.402 3.616 20 0 CHADMN FC(F)(F)c1cccc(CN[C@H]2CCCc3c[nH]nc32)c1 ZINC000268824293 1127025241 /nfs/dbraw/zinc/02/52/41/1127025241.db2.gz IOUMMOZTTQSDQQ-ZDUSSCGKSA-N 0 1 295.308 3.596 20 0 CHADMN Cc1ccc2nc(CN[C@@H]3c4ccccc4C[C@@H]3C)cn2c1 ZINC000268843826 1127026214 /nfs/dbraw/zinc/02/62/14/1127026214.db2.gz FVSLFHRVXQFNCF-LIRRHRJNSA-N 0 1 291.398 3.666 20 0 CHADMN CC[C@H](NCc1cccc(CO)c1)c1cc(F)ccc1F ZINC000268843385 1127026298 /nfs/dbraw/zinc/02/62/98/1127026298.db2.gz DBWQXYNWTUAMBZ-KRWDZBQOSA-N 0 1 291.341 3.698 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H]2CCc3c2cccc3F)c(C)n1 ZINC000268858630 1127026563 /nfs/dbraw/zinc/02/65/63/1127026563.db2.gz BLNNGHLFOQMOJR-DIFFPNOSSA-N 0 1 285.366 3.571 20 0 CHADMN CCN(Cc1cc(C)nc(C)n1)[C@H](C)c1ccc(F)cc1 ZINC000659852867 1127026932 /nfs/dbraw/zinc/02/69/32/1127026932.db2.gz NXLHHYZLLKITNW-CYBMUJFWSA-N 0 1 287.382 3.816 20 0 CHADMN C[C@@H](NCc1cccc(N(C)C)c1)c1ccc(F)cc1F ZINC000268915761 1127027901 /nfs/dbraw/zinc/02/79/01/1127027901.db2.gz PDIJIUNZCQJPAP-GFCCVEGCSA-N 0 1 290.357 3.882 20 0 CHADMN CCCC[C@@H](CC)CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268908824 1127028145 /nfs/dbraw/zinc/02/81/45/1127028145.db2.gz ARXSTQHBUDCPQQ-TZMCWYRMSA-N 0 1 277.412 3.510 20 0 CHADMN CC(C)c1ccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000268932691 1127028671 /nfs/dbraw/zinc/02/86/71/1127028671.db2.gz ZXKTZBKXYVJFHJ-HNNXBMFYSA-N 0 1 298.390 3.732 20 0 CHADMN CN(C)c1ccccc1CNCc1cc(Cl)cs1 ZINC000487294362 1127028915 /nfs/dbraw/zinc/02/89/15/1127028915.db2.gz DXKIGCVWACPDBP-UHFFFAOYSA-N 0 1 280.824 3.757 20 0 CHADMN CCCCCC[C@@H](C)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268940471 1127029010 /nfs/dbraw/zinc/02/90/10/1127029010.db2.gz GSBGMKYJFYGMFZ-TZMCWYRMSA-N 0 1 277.412 3.510 20 0 CHADMN CC(C)[C@H]1CC[C@@H]1NCc1c(F)c(F)cc(F)c1F ZINC000796827124 1130936283 /nfs/dbraw/zinc/93/62/83/1130936283.db2.gz PLBJBKKHWREYHB-PELKAZGASA-N 0 1 275.289 3.767 20 0 CHADMN C[C@H](NCc1ncc(-c2ccccc2)cn1)[C@@H]1CC1(C)C ZINC000487557976 1127034630 /nfs/dbraw/zinc/03/46/30/1127034630.db2.gz XTHDUXBDSUDDCK-BBRMVZONSA-N 0 1 281.403 3.668 20 0 CHADMN CC(C)c1nnc(CN[C@H](C)[C@@H](C)c2ccccc2)s1 ZINC000269132282 1127035692 /nfs/dbraw/zinc/03/56/92/1127035692.db2.gz ZRYSZUBDIOTGHL-CHWSQXEVSA-N 0 1 289.448 3.943 20 0 CHADMN Cc1nc([C@H](C)NC[C@H](C)Oc2cccc(F)c2)cs1 ZINC000269430698 1127040096 /nfs/dbraw/zinc/04/00/96/1127040096.db2.gz PNFBRDHBLZNMIM-QWRGUYRKSA-N 0 1 294.395 3.709 20 0 CHADMN Cc1ccncc1CN(Cc1ccccc1)C1CC1 ZINC000269690142 1127044209 /nfs/dbraw/zinc/04/42/09/1127044209.db2.gz OABIZTMSWJXSGO-UHFFFAOYSA-N 0 1 252.361 3.555 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C3(C4CC4)CCC3)c2C)o1 ZINC000909945141 1127041166 /nfs/dbraw/zinc/04/11/66/1127041166.db2.gz MIFCIVMDUBRMON-UHFFFAOYSA-N 0 1 299.374 3.805 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc[nH]c1C1CCC1 ZINC000487716082 1127041332 /nfs/dbraw/zinc/04/13/32/1127041332.db2.gz DUVFOWQVKXKZIW-UHFFFAOYSA-N 0 1 294.358 3.719 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H]3CC3(C)C)[nH]c2c1 ZINC000269741499 1127045775 /nfs/dbraw/zinc/04/57/75/1127045775.db2.gz KHLHDPFVWMBOTL-SWLSCSKDSA-N 0 1 297.402 3.581 20 0 CHADMN CC(C)[C@@H](C)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000269891156 1127046839 /nfs/dbraw/zinc/04/68/39/1127046839.db2.gz RAFPHRZZJYESGZ-MRVPVSSYSA-N 0 1 266.332 3.638 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000487934930 1127049207 /nfs/dbraw/zinc/04/92/07/1127049207.db2.gz YDAYDRUOJQEPJP-TXEJJXNPSA-N 0 1 291.345 3.523 20 0 CHADMN COCCN(Cc1c(F)cccc1F)[C@H]1CCC[C@H]1C ZINC000487997169 1127052475 /nfs/dbraw/zinc/05/24/75/1127052475.db2.gz DVZURWRELLKOHN-WBMJQRKESA-N 0 1 283.362 3.602 20 0 CHADMN Cc1nc2ccccn2c1CN(C)Cc1ccc(F)cc1C ZINC000488059576 1127053911 /nfs/dbraw/zinc/05/39/11/1127053911.db2.gz GLFWWOVWJQGEGE-UHFFFAOYSA-N 0 1 297.377 3.722 20 0 CHADMN CC[C@H](C)CN(C)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000487944562 1127050163 /nfs/dbraw/zinc/05/01/63/1127050163.db2.gz JORUXGNQQKCCDL-LBPRGKRZSA-N 0 1 293.361 3.628 20 0 CHADMN COc1ccc(Cl)cc1-c1n[nH]c(SC2CCC2)n1 ZINC000270144235 1127051188 /nfs/dbraw/zinc/05/11/88/1127051188.db2.gz PSWKXRIGAUPGSB-UHFFFAOYSA-N 0 1 295.795 3.778 20 0 CHADMN COCc1cccc(CN2CC=C(C(F)(F)F)CC2)c1 ZINC000270209760 1127051931 /nfs/dbraw/zinc/05/19/31/1127051931.db2.gz QLJUZEBAEYWIKJ-UHFFFAOYSA-N 0 1 285.309 3.527 20 0 CHADMN Cc1ccccc1[C@H]1CCN(Cc2ncc(C3CC3)o2)C1 ZINC000270518052 1127056703 /nfs/dbraw/zinc/05/67/03/1127056703.db2.gz CBRGJFZPHFOTLU-HNNXBMFYSA-N 0 1 282.387 3.850 20 0 CHADMN COc1ccc(Cl)c(CN2CCSC[C@@H](C)C2)c1 ZINC000488156307 1127058673 /nfs/dbraw/zinc/05/86/73/1127058673.db2.gz BGAWTDUVKBOLOS-NSHDSACASA-N 0 1 285.840 3.534 20 0 CHADMN C[C@@H]1CSCCN(Cc2ccc(F)cc2Cl)C1 ZINC000488160084 1127059592 /nfs/dbraw/zinc/05/95/92/1127059592.db2.gz JNWPUTRRBDXAIA-JTQLQIEISA-N 0 1 273.804 3.664 20 0 CHADMN CC[N@@H+](CCc1ccccc1)Cc1ncc(C2CC2)o1 ZINC000270668277 1127060004 /nfs/dbraw/zinc/06/00/04/1127060004.db2.gz WXHCTDBZEDGLQG-UHFFFAOYSA-N 0 1 270.376 3.617 20 0 CHADMN CCN(CCc1ccccc1)Cc1ncc(C2CC2)o1 ZINC000270668277 1127060010 /nfs/dbraw/zinc/06/00/10/1127060010.db2.gz WXHCTDBZEDGLQG-UHFFFAOYSA-N 0 1 270.376 3.617 20 0 CHADMN COc1ncccc1CN(C1CC1)[C@H]1CCc2ccccc21 ZINC000488194373 1127061074 /nfs/dbraw/zinc/06/10/74/1127061074.db2.gz KDZRACPSOJSNTJ-SFHVURJKSA-N 0 1 294.398 3.742 20 0 CHADMN CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)c1cccnc1 ZINC000270693933 1127061229 /nfs/dbraw/zinc/06/12/29/1127061229.db2.gz YQTPVDKEYROPAL-CYBMUJFWSA-N 0 1 258.340 3.804 20 0 CHADMN CCC1(CO)CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000270729892 1127061489 /nfs/dbraw/zinc/06/14/89/1127061489.db2.gz GDXPMQFPLRAHNP-LBPRGKRZSA-N 0 1 283.362 3.510 20 0 CHADMN C[C@H](CN[C@H](C)c1cscn1)Sc1ccccc1 ZINC000271022450 1127064529 /nfs/dbraw/zinc/06/45/29/1127064529.db2.gz AOUUVMVRIIGQDN-VXGBXAGGSA-N 0 1 278.446 3.975 20 0 CHADMN COc1ccccc1[C@H](C)SCc1n[nH]c(C(C)C)n1 ZINC000488250430 1127065551 /nfs/dbraw/zinc/06/55/51/1127065551.db2.gz KNXWSNQYOKQRJO-NSHDSACASA-N 0 1 291.420 3.931 20 0 CHADMN CCc1ncc(CN(C)[C@@H](C)c2ccc(OC)cc2)s1 ZINC000271035628 1127065895 /nfs/dbraw/zinc/06/58/95/1127065895.db2.gz JHBKJKPSOYBRQV-LBPRGKRZSA-N 0 1 290.432 3.907 20 0 CHADMN COCc1ccc(CN(Cc2ccco2)C2CCCC2)o1 ZINC000271050838 1127066964 /nfs/dbraw/zinc/06/69/64/1127066964.db2.gz PAAQZMHMLOSBMR-UHFFFAOYSA-N 0 1 289.375 3.964 20 0 CHADMN Cc1nn(C)cc1CN1CCCC[C@H]1c1ccc(F)cc1 ZINC000271167970 1127071152 /nfs/dbraw/zinc/07/11/52/1127071152.db2.gz CSXNMSUHYLJYPU-KRWDZBQOSA-N 0 1 287.382 3.595 20 0 CHADMN CCCCOc1ccccc1CN1CCCc2n[nH]cc2C1 ZINC000668841579 1127071597 /nfs/dbraw/zinc/07/15/97/1127071597.db2.gz PKPKXJAEOSGTON-UHFFFAOYSA-N 0 1 299.418 3.537 20 0 CHADMN C[C@H]1SCCN(Cc2cc3ccc(F)cc3[nH]2)[C@@H]1C ZINC000488305307 1127071798 /nfs/dbraw/zinc/07/17/98/1127071798.db2.gz ZTKLLIVWXNIUKS-GHMZBOCLSA-N 0 1 278.396 3.633 20 0 CHADMN CC(C)c1nc(C2CCN(Cc3ccsc3)CC2)no1 ZINC000271195281 1127072171 /nfs/dbraw/zinc/07/21/71/1127072171.db2.gz ULSNCBZFWYWDIG-UHFFFAOYSA-N 0 1 291.420 3.634 20 0 CHADMN COc1ccccc1/C=C/CN1CCC(F)(F)[C@H](C)C1 ZINC000570132851 1127074076 /nfs/dbraw/zinc/07/40/76/1127074076.db2.gz DTKNBBYRLFKMIK-VUDGCMKMSA-N 0 1 281.346 3.686 20 0 CHADMN CCCCS[C@@H](C)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000271258422 1127074361 /nfs/dbraw/zinc/07/43/61/1127074361.db2.gz JCGGOLITRHFRLP-QMMMGPOBSA-N 0 1 291.367 3.516 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C[C@@H](C)c1ccccc1 ZINC000271313878 1127074990 /nfs/dbraw/zinc/07/49/90/1127074990.db2.gz WAHCOOQEYIXQPA-SECBINFHSA-N 0 1 293.317 3.788 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000271406906 1127078400 /nfs/dbraw/zinc/07/84/00/1127078400.db2.gz AANKMUORWACEDM-CHWSQXEVSA-N 0 1 272.396 3.648 20 0 CHADMN CC[C@@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1ccccc1 ZINC000271411498 1127079784 /nfs/dbraw/zinc/07/97/84/1127079784.db2.gz ASQODJUKSKTVEL-GXTWGEPZSA-N 0 1 272.396 3.730 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@H](C)c2ccc(F)cc2F)n[nH]1 ZINC000271433174 1127080474 /nfs/dbraw/zinc/08/04/74/1127080474.db2.gz DKWAUNXVDWLKRJ-NXEZZACHSA-N 0 1 294.349 3.618 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H](C)c2ccc(Cl)cc2)n[nH]1 ZINC000271434687 1127080797 /nfs/dbraw/zinc/08/07/97/1127080797.db2.gz DRBHLLDXMRIQMV-MNOVXSKESA-N 0 1 292.814 3.993 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(C)cc1 ZINC000271446149 1127081595 /nfs/dbraw/zinc/08/15/95/1127081595.db2.gz DAABQWPRDPQSJG-CVEARBPZSA-N 0 1 269.392 3.836 20 0 CHADMN Cc1cccc([C@H](C)N[C@H]2CCCc3c[nH]nc32)c1C ZINC000271454171 1127082824 /nfs/dbraw/zinc/08/28/24/1127082824.db2.gz FGKUULBLHDJSGG-BBRMVZONSA-N 0 1 269.392 3.755 20 0 CHADMN CCC[N@@H+](Cc1coc(C)n1)[C@H]1CCc2ccccc21 ZINC000659859199 1127083044 /nfs/dbraw/zinc/08/30/44/1127083044.db2.gz IKJRPGSVHGCARH-KRWDZBQOSA-N 0 1 270.376 3.883 20 0 CHADMN CCCN(Cc1coc(C)n1)[C@H]1CCc2ccccc21 ZINC000659859199 1127083046 /nfs/dbraw/zinc/08/30/46/1127083046.db2.gz IKJRPGSVHGCARH-KRWDZBQOSA-N 0 1 270.376 3.883 20 0 CHADMN CCc1cccc2c1OCC[C@H]2N[C@@H](C)c1cccnc1 ZINC000271458692 1127083572 /nfs/dbraw/zinc/08/35/72/1127083572.db2.gz JSINCDSXYSHVTR-SUMWQHHRSA-N 0 1 282.387 3.818 20 0 CHADMN COc1ccnc([C@H](C)N[C@H]2CCc3c2cccc3F)c1 ZINC000924841146 1127084250 /nfs/dbraw/zinc/08/42/50/1127084250.db2.gz ABUWLMNZSGHNFC-ZBEGNZNMSA-N 0 1 286.350 3.567 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)N[C@@H](C)c1cnccc1C ZINC000271498285 1127086985 /nfs/dbraw/zinc/08/69/85/1127086985.db2.gz GIQAUSAEQGBPNQ-OLZOCXBDSA-N 0 1 288.366 3.950 20 0 CHADMN Cc1n[nH]cc1CN[C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000271508315 1127087267 /nfs/dbraw/zinc/08/72/67/1127087267.db2.gz OEBYBDNZSWEDED-CYBMUJFWSA-N 0 1 283.375 3.932 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H]2CCCc3c[nH]nc32)c1C ZINC000271455576 1127082796 /nfs/dbraw/zinc/08/27/96/1127082796.db2.gz FGKUULBLHDJSGG-XJKSGUPXSA-N 0 1 269.392 3.755 20 0 CHADMN COc1ccc2oc([C@@H](C)N[C@H](C)c3cn[nH]c3)c(C)c2c1 ZINC000271519084 1127088561 /nfs/dbraw/zinc/08/85/61/1127088561.db2.gz OEMAAQRJANIKLC-VXGBXAGGSA-N 0 1 299.374 3.885 20 0 CHADMN C[C@H](CN[C@H](C)c1cscn1)Oc1ccccc1Cl ZINC000271567883 1127092752 /nfs/dbraw/zinc/09/27/52/1127092752.db2.gz YRPQXQKYKQGUBV-GHMZBOCLSA-N 0 1 296.823 3.915 20 0 CHADMN CCc1nc([C@H](C)N[C@H](C)c2cc(C)c(C)cc2C)n[nH]1 ZINC000271543283 1127090536 /nfs/dbraw/zinc/09/05/36/1127090536.db2.gz RBADQVRJZGRAQX-KGLIPLIRSA-N 0 1 286.423 3.704 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H]2CCCc3c[nH]nc32)s1 ZINC000271542485 1127090661 /nfs/dbraw/zinc/09/06/61/1127090661.db2.gz SVTLELHOYPQKIM-ZYHUDNBSSA-N 0 1 261.394 3.508 20 0 CHADMN Cn1ccc(CN[C@@H](CC2CCCC2)c2ccccc2)n1 ZINC000271560814 1127091908 /nfs/dbraw/zinc/09/19/08/1127091908.db2.gz UFNKNSHGVIBJJW-SFHVURJKSA-N 0 1 283.419 3.831 20 0 CHADMN CCC[C@H](N[C@@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000271554806 1127092219 /nfs/dbraw/zinc/09/22/19/1127092219.db2.gz VPWCACDTQNGQMX-JKSUJKDBSA-N 0 1 269.392 3.918 20 0 CHADMN c1nc2cc(-c3nc([C@@H]4CCCCS4)no3)ccc2[nH]1 ZINC000923963486 1127093317 /nfs/dbraw/zinc/09/33/17/1127093317.db2.gz CPCZVTIHUFGMCA-LBPRGKRZSA-N 0 1 286.360 3.571 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2C[C@@H]2Cc2ccccc2)cs1 ZINC000271571315 1127093490 /nfs/dbraw/zinc/09/34/90/1127093490.db2.gz ZEGLUPBVPFIJHS-TUKIKUTGSA-N 0 1 272.417 3.733 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2)C2CCCC2)ncn1 ZINC000271628574 1127095328 /nfs/dbraw/zinc/09/53/28/1127095328.db2.gz CMTXRGJMJXBKGL-GOSISDBHSA-N 0 1 281.403 3.806 20 0 CHADMN c1cn2c(cccc2C[N@H+]2CCC[C@@H]2c2ccsc2)n1 ZINC000271697437 1127096989 /nfs/dbraw/zinc/09/69/89/1127096989.db2.gz BPWAWGSBAZWQBF-OAHLLOKOSA-N 0 1 283.400 3.733 20 0 CHADMN c1cn2c(cccc2CN2CCC[C@@H]2c2ccsc2)n1 ZINC000271697437 1127096993 /nfs/dbraw/zinc/09/69/93/1127096993.db2.gz BPWAWGSBAZWQBF-OAHLLOKOSA-N 0 1 283.400 3.733 20 0 CHADMN CC(C)Cc1ccc([C@H](NCc2ncc[nH]2)C2CC2)cc1 ZINC000067696586 1127098563 /nfs/dbraw/zinc/09/85/63/1127098563.db2.gz GHLRCAUDBZJILD-SFHVURJKSA-N 0 1 283.419 3.849 20 0 CHADMN CC[C@@H]1CCCCCN1Cc1nnc(C(C)(C)C)o1 ZINC000150742166 1127102397 /nfs/dbraw/zinc/10/23/97/1127102397.db2.gz VTEGABMTTRWLCI-GFCCVEGCSA-N 0 1 265.401 3.522 20 0 CHADMN CCC(CC)[C@H](N[C@H](C)c1cnn(C)n1)c1cccs1 ZINC000924847336 1127105949 /nfs/dbraw/zinc/10/59/49/1127105949.db2.gz CKAZKFOWEXXJNX-ABAIWWIYSA-N 0 1 292.452 3.705 20 0 CHADMN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc(F)c1O ZINC001274623193 1127111488 /nfs/dbraw/zinc/11/14/88/1127111488.db2.gz HEKMRKPCJGSSRX-NEPJUHHUSA-N 0 1 293.382 3.818 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000274311791 1127112378 /nfs/dbraw/zinc/11/23/78/1127112378.db2.gz MQCIKDGWLLUQQC-AWEZNQCLSA-N 0 1 287.432 3.826 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1nnc(-c2ccccc2)s1 ZINC000274311791 1127112379 /nfs/dbraw/zinc/11/23/79/1127112379.db2.gz MQCIKDGWLLUQQC-AWEZNQCLSA-N 0 1 287.432 3.826 20 0 CHADMN CC1(C)Cc2cc(CNCc3ccc(Cl)o3)ccc2O1 ZINC000698132110 1127113111 /nfs/dbraw/zinc/11/31/11/1127113111.db2.gz ONETZLSVCWUSFT-UHFFFAOYSA-N 0 1 291.778 3.936 20 0 CHADMN Cc1nc(C(C)C)ccc1CN1CC(C)(C)OC(C)(C)C1 ZINC000339114000 1127113282 /nfs/dbraw/zinc/11/32/82/1127113282.db2.gz PHJFZAXVXPCOOJ-UHFFFAOYSA-N 0 1 290.451 3.903 20 0 CHADMN Cc1cncc([C@@H](C)NC2(c3ccccc3)CC2)c1 ZINC000274347336 1127113536 /nfs/dbraw/zinc/11/35/36/1127113536.db2.gz FNNWIUHZGMNHEK-CQSZACIVSA-N 0 1 252.361 3.730 20 0 CHADMN CCn1ccnc1[C@H]1CCCCN1CCCCCF ZINC000339154840 1127116506 /nfs/dbraw/zinc/11/65/06/1127116506.db2.gz XBHQSESVLAQHOV-CQSZACIVSA-N 0 1 267.392 3.570 20 0 CHADMN Fc1cccc(CN2CCC[C@H]2[C@@H]2CCCO2)c1Cl ZINC000339165591 1127117881 /nfs/dbraw/zinc/11/78/81/1127117881.db2.gz CIXVGFZCHYBQOZ-KBPBESRZSA-N 0 1 283.774 3.623 20 0 CHADMN CCCN(CCC)Cn1ccn(C(C)C)c1=S ZINC000913059872 1127121295 /nfs/dbraw/zinc/12/12/95/1127121295.db2.gz KZSRQIQQYJTZFY-UHFFFAOYSA-N 0 1 255.431 3.679 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN(C[C@H]2CCCCO2)C2CC2)o1 ZINC000348811710 1127128834 /nfs/dbraw/zinc/12/88/34/1127128834.db2.gz WHMZTQAQSHGHOW-FRFSOERESA-N 0 1 289.419 3.937 20 0 CHADMN Cc1ccc(-c2ncc(CN3CC(C4CCC4)C3)s2)o1 ZINC000348715424 1127125301 /nfs/dbraw/zinc/12/53/01/1127125301.db2.gz PTDUJCCTLWPKNL-UHFFFAOYSA-N 0 1 288.416 3.943 20 0 CHADMN CCc1oc(C(=O)Nc2ccc3nc(C)[nH]c3c2)cc1C ZINC000348942615 1127135870 /nfs/dbraw/zinc/13/58/70/1127135870.db2.gz UFFBRHJUILDBED-UHFFFAOYSA-N 0 1 283.331 3.587 20 0 CHADMN CN(C)c1ccc(CNCc2ccc(F)cc2Cl)cc1 ZINC000163830500 1127145478 /nfs/dbraw/zinc/14/54/78/1127145478.db2.gz MWIYXYIRGOPJDP-UHFFFAOYSA-N 0 1 292.785 3.835 20 0 CHADMN Cc1cc(Nc2ccncc2Cl)c2ccccc2n1 ZINC001212144227 1127145980 /nfs/dbraw/zinc/14/59/80/1127145980.db2.gz KPXUFBOGTQPQJB-UHFFFAOYSA-N 0 1 269.735 3.757 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@@H](CO)c2ccsc2)c1 ZINC000349316271 1127146430 /nfs/dbraw/zinc/14/64/30/1127146430.db2.gz WJYLXVFXUVSUGS-BBRMVZONSA-N 0 1 275.417 3.749 20 0 CHADMN CC[C@H](N[C@@H](CO)c1ccsc1)c1ccccc1 ZINC000349324303 1127147462 /nfs/dbraw/zinc/14/74/62/1127147462.db2.gz QBYGHCCZESBALP-GJZGRUSLSA-N 0 1 261.390 3.522 20 0 CHADMN Cc1nc2sccn2c1CN(C)[C@H](C)c1ccccc1 ZINC000349542442 1127153244 /nfs/dbraw/zinc/15/32/44/1127153244.db2.gz MKDOBKKKACFPHV-CYBMUJFWSA-N 0 1 285.416 3.897 20 0 CHADMN C[C@@H](Cc1ccccc1F)NCc1ncc(Cl)s1 ZINC000349571015 1127153946 /nfs/dbraw/zinc/15/39/46/1127153946.db2.gz UTPMMBQXVGDLAS-VIFPVBQESA-N 0 1 284.787 3.656 20 0 CHADMN CCC(CC)[C@H](CCNCc1ncc(Cl)s1)OC ZINC000349627625 1127155628 /nfs/dbraw/zinc/15/56/28/1127155628.db2.gz CVPVHSQSCQZRRC-NSHDSACASA-N 0 1 290.860 3.727 20 0 CHADMN C[S@](=O)c1ccc(CN2CCC[C@H]2c2ccccc2)cc1 ZINC000349750110 1127159489 /nfs/dbraw/zinc/15/94/89/1127159489.db2.gz UKPOEGGAJNLHPN-RXVVDRJESA-N 0 1 299.439 3.761 20 0 CHADMN FCCCCCN(Cc1ccco1)Cc1cccnc1 ZINC000283871349 1127160728 /nfs/dbraw/zinc/16/07/28/1127160728.db2.gz AFYZDSQJVZDLPY-UHFFFAOYSA-N 0 1 276.355 3.817 20 0 CHADMN Cc1ccsc1CN1CCO[C@H](c2ccccc2)C1 ZINC000349803853 1127161895 /nfs/dbraw/zinc/16/18/95/1127161895.db2.gz ZMTAMMOWFVEHDS-HNNXBMFYSA-N 0 1 273.401 3.630 20 0 CHADMN Cn1ccc(C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC000349820603 1127162928 /nfs/dbraw/zinc/16/29/28/1127162928.db2.gz WRLCCPMHGLBSOB-UHFFFAOYSA-N 0 1 286.806 3.968 20 0 CHADMN O=C(c1ccc2cncn2c1)N1CCCC2(CCCCC2)C1 ZINC000283925960 1127164923 /nfs/dbraw/zinc/16/49/23/1127164923.db2.gz JVOZRTFENAXYOD-UHFFFAOYSA-N 0 1 297.402 3.521 20 0 CHADMN C[C@@H]1[C@@H](NCc2noc3c2CCCC3)C[C@@H]1c1ccccc1 ZINC000571722757 1127165600 /nfs/dbraw/zinc/16/56/00/1127165600.db2.gz PWQYYUURYVGQCM-JQFCIGGWSA-N 0 1 296.414 3.835 20 0 CHADMN c1c(CN2CCC[C@@H](c3ccccc3)C2)nn2ccccc12 ZINC001237444703 1131100043 /nfs/dbraw/zinc/10/00/43/1131100043.db2.gz ZPCXKBFXTCGVJK-QGZVFWFLSA-N 0 1 291.398 3.714 20 0 CHADMN C[C@H](NCCCCCF)c1nc(-c2cccc(F)c2)no1 ZINC000284065320 1127172121 /nfs/dbraw/zinc/17/21/21/1127172121.db2.gz KKYPTYZFEOSVAD-NSHDSACASA-N 0 1 295.333 3.666 20 0 CHADMN FC(F)(F)c1cc(CN2CCC[C@@H]3C[C@@H]32)cc(Cl)n1 ZINC001237493367 1131105983 /nfs/dbraw/zinc/10/59/83/1131105983.db2.gz JNDZZIGXACFSEP-ZJUUUORDSA-N 0 1 290.716 3.738 20 0 CHADMN CCOc1cccc(CN(Cc2cccs2)C(C)C)n1 ZINC000350281454 1127175815 /nfs/dbraw/zinc/17/58/15/1127175815.db2.gz XRUOXKGCXMPLQX-UHFFFAOYSA-N 0 1 290.432 3.952 20 0 CHADMN CC1(C)[C@H](c2ccccc2)CC[N@H+]1CCCCC(=O)[O-] ZINC000571888086 1127178971 /nfs/dbraw/zinc/17/89/71/1127178971.db2.gz HTYBKSFWTNVVRG-HNNXBMFYSA-N 0 1 275.392 3.509 20 0 CHADMN C[C@H](NCc1cccc(COC(C)(C)C)c1)c1cn[nH]c1 ZINC000284252745 1127179393 /nfs/dbraw/zinc/17/93/93/1127179393.db2.gz VSNCOHYFRZGGHP-ZDUSSCGKSA-N 0 1 287.407 3.576 20 0 CHADMN CCC(CC)CNc1ccc(Cl)c(CN(C)CCO)c1 ZINC000571901179 1127179530 /nfs/dbraw/zinc/17/95/30/1127179530.db2.gz FDWITQFDHKUWDP-UHFFFAOYSA-N 0 1 298.858 3.612 20 0 CHADMN CC(C)(C)c1ncc(CN[C@H]2CCc3cc(F)ccc32)cn1 ZINC000284297187 1127179820 /nfs/dbraw/zinc/17/98/20/1127179820.db2.gz IPAUCFUUWRGKOS-INIZCTEOSA-N 0 1 299.393 3.690 20 0 CHADMN CCN(CCOc1ccc(Cl)cc1)Cc1ccoc1 ZINC000588169351 1127180037 /nfs/dbraw/zinc/18/00/37/1127180037.db2.gz UKNZDHXODYHMAG-UHFFFAOYSA-N 0 1 279.767 3.834 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc(Cl)cc(Cl)c2)n(C)n1 ZINC000284366432 1127181047 /nfs/dbraw/zinc/18/10/47/1127181047.db2.gz OARSPUCLTCXGFQ-SNVBAGLBSA-N 0 1 298.217 3.886 20 0 CHADMN CCCc1ccc([C@@H](C)NCc2cc(C)nn2C)cc1 ZINC000284353891 1127181166 /nfs/dbraw/zinc/18/11/66/1127181166.db2.gz NLNLPZOYZWXEDW-CQSZACIVSA-N 0 1 271.408 3.532 20 0 CHADMN COc1ncc([C@H](C)N[C@@H](C)c2cccnc2)cc1Cl ZINC000284358175 1127181532 /nfs/dbraw/zinc/18/15/32/1127181532.db2.gz NREBOYKXKXIHTB-QWRGUYRKSA-N 0 1 291.782 3.550 20 0 CHADMN CCc1nc([C@H](C)NC[C@@H](OC)c2ccccc2)cs1 ZINC000284482513 1127186559 /nfs/dbraw/zinc/18/65/59/1127186559.db2.gz TYHBGLWGQRUOEN-SWLSCSKDSA-N 0 1 290.432 3.744 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(C(F)(F)F)cc2)n(C)n1 ZINC000284514343 1127188128 /nfs/dbraw/zinc/18/81/28/1127188128.db2.gz UGBJPSWTNIHUKI-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN COc1ccc(C)cc1CNc1nccn1-c1ccccc1 ZINC000351569264 1127194366 /nfs/dbraw/zinc/19/43/66/1127194366.db2.gz MCPVBAMKTCZZEI-UHFFFAOYSA-N 0 1 293.370 3.801 20 0 CHADMN CCc1ncc(CNc2nccn2-c2ccccc2)s1 ZINC000351566997 1127194537 /nfs/dbraw/zinc/19/45/37/1127194537.db2.gz ICPJAYVCLKUZIW-UHFFFAOYSA-N 0 1 284.388 3.503 20 0 CHADMN CC(C)Cc1ncc(CNc2nccn2CC(C)C)s1 ZINC000351569829 1127194588 /nfs/dbraw/zinc/19/45/88/1127194588.db2.gz WXUOBMCKWSQGEO-UHFFFAOYSA-N 0 1 292.452 3.806 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCC(F)(F)[C@H](C)C2)o1 ZINC000572296719 1127197754 /nfs/dbraw/zinc/19/77/54/1127197754.db2.gz QNEFYUNKTWMKJK-WZRBSPASSA-N 0 1 269.335 3.880 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN2CCC(F)(F)[C@H](C)C2)o1 ZINC000572296717 1127197874 /nfs/dbraw/zinc/19/78/74/1127197874.db2.gz QNEFYUNKTWMKJK-NQBHXWOUSA-N 0 1 269.335 3.880 20 0 CHADMN Cc1cc(Cl)cc(CN(C)Cc2cccc(C)n2)c1 ZINC000351644374 1127201300 /nfs/dbraw/zinc/20/13/00/1127201300.db2.gz PMMQUGZQJSIARX-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CCCCOC1CCN(Cc2cc(OC)ccc2F)CC1 ZINC000351670879 1127203112 /nfs/dbraw/zinc/20/31/12/1127203112.db2.gz FOOSEFIVIFIBMW-UHFFFAOYSA-N 0 1 295.398 3.615 20 0 CHADMN CC1(C)CCN(Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000588904496 1127204227 /nfs/dbraw/zinc/20/42/27/1127204227.db2.gz AIYIPAYCFGABRU-UHFFFAOYSA-N 0 1 295.810 3.733 20 0 CHADMN Cc1ccccc1-c1noc(CN(C)CC(C)(C)C)n1 ZINC000588902302 1127204633 /nfs/dbraw/zinc/20/46/33/1127204633.db2.gz HTIMXVRPXDTTPY-UHFFFAOYSA-N 0 1 273.380 3.523 20 0 CHADMN CCc1cc(CN2CCC[C@]3(CCO3)C2)ccc1Cl ZINC001237740076 1131136272 /nfs/dbraw/zinc/13/62/72/1131136272.db2.gz NPDLLPDDOIZDTA-INIZCTEOSA-N 0 1 279.811 3.657 20 0 CHADMN CC[C@@H](NCc1cnc(C)nc1)c1ccc(Cl)s1 ZINC000351762482 1127208278 /nfs/dbraw/zinc/20/82/78/1127208278.db2.gz ZDHWBOBHFHRCLV-LLVKDONJSA-N 0 1 281.812 3.741 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC2(CCOCC2)CC1 ZINC000284855147 1127209086 /nfs/dbraw/zinc/20/90/86/1127209086.db2.gz UEQGWRMJEXFQOZ-ZDUSSCGKSA-N 0 1 295.373 3.918 20 0 CHADMN C[C@H](F)CCN1CCc2cccc(Br)c2C1 ZINC000351879923 1127213302 /nfs/dbraw/zinc/21/33/02/1127213302.db2.gz IDQKUKLOAWKJJT-JTQLQIEISA-N 0 1 286.188 3.555 20 0 CHADMN Cc1ncc(CN[C@H](C)c2cc3cccc(F)c3o2)cn1 ZINC000352413700 1127230438 /nfs/dbraw/zinc/23/04/38/1127230438.db2.gz QFYLPMDADLRARD-SNVBAGLBSA-N 0 1 285.322 3.521 20 0 CHADMN c1cc2cc(CNCc3cn4ccccc4n3)ccc2s1 ZINC000352447067 1127232767 /nfs/dbraw/zinc/23/27/67/1127232767.db2.gz IUBUXMWISVWODK-UHFFFAOYSA-N 0 1 293.395 3.839 20 0 CHADMN c1ccc2c(CN[C@H]3CSCc4ccccc43)n[nH]c2c1 ZINC000589647371 1127233070 /nfs/dbraw/zinc/23/30/70/1127233070.db2.gz DTXZCOFDQYUYNN-KRWDZBQOSA-N 0 1 295.411 3.641 20 0 CHADMN c1ccc2c(c1)n[nH]c2CN[C@H]1CSCc2ccccc21 ZINC000589647371 1127233073 /nfs/dbraw/zinc/23/30/73/1127233073.db2.gz DTXZCOFDQYUYNN-KRWDZBQOSA-N 0 1 295.411 3.641 20 0 CHADMN C[C@H](NCc1ccc(Cl)nc1)c1cc(F)cc(F)c1 ZINC000165497367 1127234474 /nfs/dbraw/zinc/23/44/74/1127234474.db2.gz KSTYHHISBASSAR-VIFPVBQESA-N 0 1 282.721 3.864 20 0 CHADMN Cc1ccnc([C@H](C)N[C@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000285533400 1127235494 /nfs/dbraw/zinc/23/54/94/1127235494.db2.gz BUSPZMZWIBESGB-ZYSHUDEJSA-N 0 1 296.414 3.961 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3occc3C(C)C)ccc12 ZINC000285610105 1127238870 /nfs/dbraw/zinc/23/88/70/1127238870.db2.gz MDTSEMIJYDRJHV-UHFFFAOYSA-N 0 1 283.331 3.840 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1NCc1cncnc1 ZINC000285592018 1127239133 /nfs/dbraw/zinc/23/91/33/1127239133.db2.gz UPIPVIAPBRMCMT-UHFFFAOYSA-N 0 1 296.418 3.778 20 0 CHADMN C[C@@H](N[C@@H]1CCC12CCCC2)c1c(F)cncc1F ZINC000285722412 1127241289 /nfs/dbraw/zinc/24/12/89/1127241289.db2.gz QGNBYCZCTZODJY-ZWNOBZJWSA-N 0 1 266.335 3.733 20 0 CHADMN CC(C)[N@H+](Cc1cc(F)c([O-])c(Cl)c1)CC1CC1 ZINC001237987720 1131157587 /nfs/dbraw/zinc/15/75/87/1131157587.db2.gz CDKKPWPVMDPEQO-UHFFFAOYSA-N 0 1 271.763 3.805 20 0 CHADMN CSc1ccc(CN2CCN(C)c3ccccc3C2)cc1 ZINC000590065079 1127247857 /nfs/dbraw/zinc/24/78/57/1127247857.db2.gz DWEUTFXXBICRLE-UHFFFAOYSA-N 0 1 298.455 3.861 20 0 CHADMN CCOC[C@@H](NCc1cc(-c2cccs2)on1)C(C)C ZINC000286018141 1127253565 /nfs/dbraw/zinc/25/35/65/1127253565.db2.gz HFEGTLAVSUZXCQ-CYBMUJFWSA-N 0 1 294.420 3.554 20 0 CHADMN Cc1ccnc([C@H](C)N[C@@H]2CCc3cc(F)ccc32)c1 ZINC000286087240 1127257957 /nfs/dbraw/zinc/25/79/57/1127257957.db2.gz MOZFOCUEHNWXGJ-BLLLJJGKSA-N 0 1 270.351 3.867 20 0 CHADMN Cc1ccc(CNCc2cnn3ccccc23)cc1Cl ZINC000353038459 1127258739 /nfs/dbraw/zinc/25/87/39/1127258739.db2.gz ZEMYZXQEZZDHRG-UHFFFAOYSA-N 0 1 285.778 3.586 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]2C2CC2)c(Br)c1 ZINC000590789055 1127273061 /nfs/dbraw/zinc/27/30/61/1127273061.db2.gz OJVILAWQSANWDG-CQSZACIVSA-N 0 1 298.199 3.963 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cc(OC)ccn1)c1ccccc1 ZINC000924859063 1127273690 /nfs/dbraw/zinc/27/36/90/1127273690.db2.gz SSDMVOBKBKZBFU-XJKSGUPXSA-N 0 1 270.376 3.892 20 0 CHADMN COc1cccc2cc([C@@H](C)NCc3cccnc3C)oc21 ZINC000590880853 1127277140 /nfs/dbraw/zinc/27/71/40/1127277140.db2.gz VCFJKDUSUZIYES-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN CCCOc1cc(CN2CC=C(C)CC2)ccc1OC ZINC000353900165 1127277179 /nfs/dbraw/zinc/27/71/79/1127277179.db2.gz OIKBVMARGOAONZ-UHFFFAOYSA-N 0 1 275.392 3.636 20 0 CHADMN C[C@@H]1CCCCCN1Cc1ccn(C2CCCC2)n1 ZINC000477279781 1127277659 /nfs/dbraw/zinc/27/76/59/1127277659.db2.gz PRJUIDVFGONQHK-CQSZACIVSA-N 0 1 261.413 3.763 20 0 CHADMN CC(C)OCCN1CC(C)(C)[C@H]1c1cccs1 ZINC000286987926 1127280142 /nfs/dbraw/zinc/28/01/42/1127280142.db2.gz PFNCXVPHBBDRIL-CYBMUJFWSA-N 0 1 253.411 3.556 20 0 CHADMN CC1(C)CN(CCO[C@H]2CCCCO2)[C@H]1c1cccs1 ZINC000286997443 1127280733 /nfs/dbraw/zinc/28/07/33/1127280733.db2.gz PWIQBNOWBPKPEE-GJZGRUSLSA-N 0 1 295.448 3.674 20 0 CHADMN COCc1nc(CN2CCC[C@H]2CCC(C)C)cs1 ZINC000354026355 1127286801 /nfs/dbraw/zinc/28/68/01/1127286801.db2.gz RXURVZHLBXKHMH-AWEZNQCLSA-N 0 1 282.453 3.690 20 0 CHADMN CC(C)(C)SCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000287096330 1127288273 /nfs/dbraw/zinc/28/82/73/1127288273.db2.gz WYQQABIYQKGHFE-UHFFFAOYSA-N 0 1 291.775 3.655 20 0 CHADMN Cc1csc(CN2CC[C@@](C)(c3ccccc3)C2)n1 ZINC000354111767 1127294036 /nfs/dbraw/zinc/29/40/36/1127294036.db2.gz UNDIOXGBWTULDD-MRXNPFEDSA-N 0 1 272.417 3.615 20 0 CHADMN CCOc1ccc2c(c1)CCN(Cc1occc1C)C2 ZINC000354129684 1127296018 /nfs/dbraw/zinc/29/60/18/1127296018.db2.gz FPAFPWAAFDHKNE-UHFFFAOYSA-N 0 1 271.360 3.545 20 0 CHADMN Fc1ccc([C@@H]2CCCCN2Cc2cccnc2)cc1 ZINC000354080826 1127290909 /nfs/dbraw/zinc/29/09/09/1127290909.db2.gz DBIIZDFKBVHUKE-KRWDZBQOSA-N 0 1 270.351 3.948 20 0 CHADMN Cc1nc2ccc(NC(=O)c3coc4ccccc34)cc2[nH]1 ZINC000354222319 1127298956 /nfs/dbraw/zinc/29/89/56/1127298956.db2.gz VSGMUYDLFQUXIN-UHFFFAOYSA-N 0 1 291.310 3.870 20 0 CHADMN Fc1ccc(Br)c(CN2CCC[C@@H]2C2CC2)c1 ZINC000591377189 1127299821 /nfs/dbraw/zinc/29/98/21/1127299821.db2.gz MTGDPHIKBKNBRQ-CQSZACIVSA-N 0 1 298.199 3.963 20 0 CHADMN CCN(CC)[C@H](C(=O)N(C)CC(C)(C)C)c1ccccc1 ZINC000591454351 1127302663 /nfs/dbraw/zinc/30/26/63/1127302663.db2.gz VNXDIUQQQFYFAS-INIZCTEOSA-N 0 1 290.451 3.574 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000573259196 1127304513 /nfs/dbraw/zinc/30/45/13/1127304513.db2.gz LOXXNXVQKANNQH-WMLDXEAASA-N 0 1 295.382 3.763 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1c(C)nsc1C ZINC000573263170 1127305522 /nfs/dbraw/zinc/30/55/22/1127305522.db2.gz HSWCLRZYNLHWRF-JTQLQIEISA-N 0 1 275.421 3.568 20 0 CHADMN Clc1ccc(C2(NCc3cnccn3)CCCC2)cc1 ZINC000573422558 1127308353 /nfs/dbraw/zinc/30/83/53/1127308353.db2.gz OLDRTFUPACADDH-UHFFFAOYSA-N 0 1 287.794 3.689 20 0 CHADMN CCC(C)=C(C)C(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000780928994 1127313021 /nfs/dbraw/zinc/31/30/21/1127313021.db2.gz LKGVDIFIBPVDCN-QXMHVHEDSA-N 0 1 269.348 3.762 20 0 CHADMN COc1ccncc1CN[C@@H](CC(C)C)c1ccccc1 ZINC000287880836 1127314385 /nfs/dbraw/zinc/31/43/85/1127314385.db2.gz SVRIJIOYGNMZJA-KRWDZBQOSA-N 0 1 284.403 3.967 20 0 CHADMN Cc1cc(CN(C(C)C)[C@@H](C)c2ccsc2)[nH]n1 ZINC001118055375 1131208477 /nfs/dbraw/zinc/20/84/77/1131208477.db2.gz NOQWGWZUFOWAOI-LBPRGKRZSA-N 0 1 263.410 3.751 20 0 CHADMN CC(C)C[N@H+]1Cc2cccc(NC(=O)C[C@H]3C[C@@H]3C)c2C1 ZINC000355143924 1127320924 /nfs/dbraw/zinc/32/09/24/1127320924.db2.gz OQPIERKKUHLENG-DZGCQCFKSA-N 0 1 286.419 3.643 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)C[C@H]3C[C@@H]3C)c2C1 ZINC000355143924 1127320927 /nfs/dbraw/zinc/32/09/27/1127320927.db2.gz OQPIERKKUHLENG-DZGCQCFKSA-N 0 1 286.419 3.643 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC[C@H](n2ccnc2)C1 ZINC000591869066 1127324384 /nfs/dbraw/zinc/32/43/84/1127324384.db2.gz HVXFAGZVROEWFR-JSGCOSHPSA-N 0 1 291.345 3.559 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(C(=O)c1cccc2c[nH]nc21)C1CC1 ZINC000355202374 1127324878 /nfs/dbraw/zinc/32/48/78/1127324878.db2.gz CXSNLMZCWAUTCD-VXGBXAGGSA-N 0 1 285.391 3.602 20 0 CHADMN CSc1ccc(Cl)cc1CN1CCCC2(COC2)C1 ZINC001238673234 1131230055 /nfs/dbraw/zinc/23/00/55/1131230055.db2.gz WOTMQZSTIGKFQD-UHFFFAOYSA-N 0 1 297.851 3.674 20 0 CHADMN C[C@@]1(F)CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000355362540 1127335841 /nfs/dbraw/zinc/33/58/41/1127335841.db2.gz HIYTUZBOWPSJMT-OAHLLOKOSA-N 0 1 293.773 3.664 20 0 CHADMN COC[C@@H](NCc1ccccc1)c1cccc(Cl)c1 ZINC000288474199 1127341573 /nfs/dbraw/zinc/34/15/73/1127341573.db2.gz FYRBCDLKNJQQGG-MRXNPFEDSA-N 0 1 275.779 3.817 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)C[C@@H](O)c1ccccc1F ZINC000225690092 1127342026 /nfs/dbraw/zinc/34/20/26/1127342026.db2.gz JRSDNMNOUXSYGC-YVEFUNNKSA-N 0 1 291.341 3.691 20 0 CHADMN CC(C)[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(C)C ZINC000592428909 1127348589 /nfs/dbraw/zinc/34/85/89/1127348589.db2.gz DTALRNADLIBSIF-LBPRGKRZSA-N 0 1 289.206 3.518 20 0 CHADMN Cc1ccncc1CN(C)C/C=C\c1ccc(F)cc1F ZINC000355611883 1127354547 /nfs/dbraw/zinc/35/45/47/1127354547.db2.gz SYMNKKHFQIBOFN-ARJAWSKDSA-N 0 1 288.341 3.813 20 0 CHADMN Cc1nccc(N[C@H]2CCOc3c(F)cccc32)c1Cl ZINC000355682983 1127358786 /nfs/dbraw/zinc/35/87/86/1127358786.db2.gz NAJAKVXPUINWTR-LBPRGKRZSA-N 0 1 292.741 3.540 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC[C@]2(CCCOC2)C1 ZINC000355785767 1127364721 /nfs/dbraw/zinc/36/47/21/1127364721.db2.gz LFMCSRBBPKDCJH-DYVFJYSZSA-N 0 1 295.373 3.918 20 0 CHADMN CCC[N@@H+](Cc1nnc(Cc2ccccc2C)o1)C(C)C ZINC000574050839 1127370580 /nfs/dbraw/zinc/37/05/80/1127370580.db2.gz MFVSCUSYPTUVEN-UHFFFAOYSA-N 0 1 287.407 3.589 20 0 CHADMN CCCN(Cc1nnc(Cc2ccccc2C)o1)C(C)C ZINC000574050839 1127370584 /nfs/dbraw/zinc/37/05/84/1127370584.db2.gz MFVSCUSYPTUVEN-UHFFFAOYSA-N 0 1 287.407 3.589 20 0 CHADMN C[C@@H](O)c1ncc(CN2CCC[C@H]2c2ccccc2)s1 ZINC000289017440 1127370641 /nfs/dbraw/zinc/37/06/41/1127370641.db2.gz FZECTDBIUVKDLE-DOMZBBRYSA-N 0 1 288.416 3.534 20 0 CHADMN CCCCC[N@@H+](Cc1ccccc1CC(=O)[O-])C(C)C ZINC000167718227 1127387269 /nfs/dbraw/zinc/38/72/69/1127387269.db2.gz HTROLASGELMAOB-UHFFFAOYSA-N 0 1 277.408 3.714 20 0 CHADMN C[C@]1(CNCc2c(F)ccc(F)c2Cl)CCCCO1 ZINC001308538847 1127388243 /nfs/dbraw/zinc/38/82/43/1127388243.db2.gz RDMLBQPQXXXAQI-CQSZACIVSA-N 0 1 289.753 3.667 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1ccn(C2CCCC2)n1 ZINC000357713549 1127393636 /nfs/dbraw/zinc/39/36/36/1127393636.db2.gz ZEFALKAINUBXLT-CQSZACIVSA-N 0 1 295.496 3.962 20 0 CHADMN CCOC(=O)c1ccc(CN[C@H]2CCc3ccc(C)cc32)o1 ZINC000593676941 1127394928 /nfs/dbraw/zinc/39/49/28/1127394928.db2.gz QQDMTJJQNHHCKI-INIZCTEOSA-N 0 1 299.370 3.542 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2cc(OC)cnc2F)C1 ZINC001308618771 1127395521 /nfs/dbraw/zinc/39/55/21/1127395521.db2.gz HRWHNLPWRYGHLH-INIZCTEOSA-N 0 1 280.387 3.632 20 0 CHADMN CCn1cncc1C[N@H+]1CCCC[C@@H]1c1ccccc1OC ZINC000669502846 1127396883 /nfs/dbraw/zinc/39/68/83/1127396883.db2.gz AFFXMSIGGPLURD-QGZVFWFLSA-N 0 1 299.418 3.639 20 0 CHADMN CCn1cncc1CN1CCCC[C@@H]1c1ccccc1OC ZINC000669502846 1127396888 /nfs/dbraw/zinc/39/68/88/1127396888.db2.gz AFFXMSIGGPLURD-QGZVFWFLSA-N 0 1 299.418 3.639 20 0 CHADMN COCC[N@@H+](CCOc1ccc(C)cc1)Cc1ccccc1 ZINC000058876335 1127397024 /nfs/dbraw/zinc/39/70/24/1127397024.db2.gz GHIKBDFADCBCIV-UHFFFAOYSA-N 0 1 299.414 3.522 20 0 CHADMN COC(=O)c1coc(CN2CCCC[C@@H]2c2ccccc2)c1 ZINC000358046041 1127398652 /nfs/dbraw/zinc/39/86/52/1127398652.db2.gz KCXKHWRZFKZOTD-QGZVFWFLSA-N 0 1 299.370 3.793 20 0 CHADMN FC(F)(F)[C@@H]1CCN(CCc2ccccc2Cl)C1 ZINC000761039049 1127399276 /nfs/dbraw/zinc/39/92/76/1127399276.db2.gz CGZHSHCXDOTSID-LLVKDONJSA-N 0 1 277.717 3.767 20 0 CHADMN FC(F)(F)[C@H]1CCN(Cc2cc3ccccc3o2)C1 ZINC000761044683 1127405594 /nfs/dbraw/zinc/40/55/94/1127405594.db2.gz BPBVIKQKVPVGLL-NSHDSACASA-N 0 1 269.266 3.817 20 0 CHADMN Cc1n[nH]cc1CN[C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000358148899 1127404457 /nfs/dbraw/zinc/40/44/57/1127404457.db2.gz FFGGUFLMMPLKFD-ZDUSSCGKSA-N 0 1 281.359 3.829 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1cccc(F)c1)c1ccc(F)cc1 ZINC000358176278 1127406586 /nfs/dbraw/zinc/40/65/86/1127406586.db2.gz NLGIYXMDUSCYHP-SJORKVTESA-N 0 1 291.341 3.739 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](C)c2ccc(F)cc2Cl)n[nH]1 ZINC000358253970 1127411314 /nfs/dbraw/zinc/41/13/14/1127411314.db2.gz XZHZKGFEMAOATD-IUCAKERBSA-N 0 1 296.777 3.571 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@H](c1cccnc1)C1CC1 ZINC000358357491 1127417020 /nfs/dbraw/zinc/41/70/20/1127417020.db2.gz XABAGDJKKIDZCW-ACJLOTCBSA-N 0 1 282.387 3.892 20 0 CHADMN CC(C)Oc1ccc(CN2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761054925 1127413927 /nfs/dbraw/zinc/41/39/27/1127413927.db2.gz KUBQIWKESUZXLN-CYBMUJFWSA-N 0 1 287.325 3.858 20 0 CHADMN Fc1cc2cccnc2c(CN2CC[C@@H](C(F)(F)F)C2)c1 ZINC000761057417 1127414676 /nfs/dbraw/zinc/41/46/76/1127414676.db2.gz QVDCIIZONDENCC-GFCCVEGCSA-N 0 1 298.283 3.758 20 0 CHADMN COC(=O)c1ccc2c(c1)[C@@H](NCc1occc1C)CCC2 ZINC000594525141 1127421912 /nfs/dbraw/zinc/42/19/12/1127421912.db2.gz SWACJQXURZBOJD-INIZCTEOSA-N 0 1 299.370 3.542 20 0 CHADMN CCc1ncc(CN[C@H](C)c2ccncc2CC)s1 ZINC000358506305 1127424204 /nfs/dbraw/zinc/42/42/04/1127424204.db2.gz LTOOOJLMXDXESH-LLVKDONJSA-N 0 1 275.421 3.514 20 0 CHADMN c1ccc2c(c1)SCC[C@@H]2N[C@H]1CCc2cccnc21 ZINC000226811726 1127426477 /nfs/dbraw/zinc/42/64/77/1127426477.db2.gz JHJZTUFGPSPODJ-GJZGRUSLSA-N 0 1 282.412 3.896 20 0 CHADMN COCC1(C)CCN(Cc2ccc(Cl)s2)CC1 ZINC000358755668 1127433411 /nfs/dbraw/zinc/43/34/11/1127433411.db2.gz WHLAFIQTRFLIPQ-UHFFFAOYSA-N 0 1 273.829 3.650 20 0 CHADMN CCc1nc([C@H](C)SCc2cccc(C)c2)n[nH]1 ZINC000594903479 1127433516 /nfs/dbraw/zinc/43/35/16/1127433516.db2.gz WXCSCCDGRJHBTG-NSHDSACASA-N 0 1 261.394 3.670 20 0 CHADMN COCC1(C)CCN(Cc2c(F)cccc2Cl)CC1 ZINC000358771591 1127434045 /nfs/dbraw/zinc/43/40/45/1127434045.db2.gz QEDLWVDYPOCRPF-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN COC(=O)c1ccc(CNc2nccc(C)c2C2CC2)cc1 ZINC000594741770 1127431542 /nfs/dbraw/zinc/43/15/42/1127431542.db2.gz DLAKYQFZDBIMEB-UHFFFAOYSA-N 0 1 296.370 3.666 20 0 CHADMN CCc1nc([C@@H](C)SCc2cc(C)ccc2OC)n[nH]1 ZINC000594892299 1127432511 /nfs/dbraw/zinc/43/25/11/1127432511.db2.gz SJSSPGZMTCKNKW-LLVKDONJSA-N 0 1 291.420 3.679 20 0 CHADMN C[C@H](c1ccccn1)N1CC(c2nc3ccccc3s2)C1 ZINC000358816438 1127434724 /nfs/dbraw/zinc/43/47/24/1127434724.db2.gz LAJKJGJICGEEKO-GFCCVEGCSA-N 0 1 295.411 3.852 20 0 CHADMN COc1ccc2nc(SCc3ccc(C)nc3C)[nH]c2c1 ZINC000358848515 1127436549 /nfs/dbraw/zinc/43/65/49/1127436549.db2.gz BCGXWJHVZWOXDI-UHFFFAOYSA-N 0 1 299.399 3.876 20 0 CHADMN CC(C)[C@@H](NCc1cccnc1)c1cc(F)ccc1F ZINC000358921410 1127439047 /nfs/dbraw/zinc/43/90/47/1127439047.db2.gz AIUHXDCQANSTMO-MRXNPFEDSA-N 0 1 276.330 3.847 20 0 CHADMN COc1cc2c(cc1F)nccc2NCCCOC(C)C ZINC000358953540 1127440161 /nfs/dbraw/zinc/44/01/61/1127440161.db2.gz NNQXPYYXYUOTOM-UHFFFAOYSA-N 0 1 292.354 3.610 20 0 CHADMN CC(C)Oc1cccc(CN[C@@H](C)c2cncc(F)c2)c1 ZINC000358987926 1127442779 /nfs/dbraw/zinc/44/27/79/1127442779.db2.gz ITMCZRDVPUVUFO-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN COCCCC[C@@H](N[C@H](C)c1cnccn1)c1ccccc1 ZINC000359036296 1127446166 /nfs/dbraw/zinc/44/61/66/1127446166.db2.gz OGUHVIOZYBSKEF-NVXWUHKLSA-N 0 1 299.418 3.685 20 0 CHADMN C[C@@H]1CC[C@H](CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000359068727 1127447433 /nfs/dbraw/zinc/44/74/33/1127447433.db2.gz MJUBCAKMJZLOCB-WWGRRREGSA-N 0 1 287.382 3.664 20 0 CHADMN COC(=O)c1coc([C@H](C)NCc2cc(C)cc(C)c2)c1 ZINC000595071948 1127448687 /nfs/dbraw/zinc/44/86/87/1127448687.db2.gz DHDBPKVGVZVPIA-ZDUSSCGKSA-N 0 1 287.359 3.534 20 0 CHADMN C[C@H](c1ccccc1Br)N1CC[C@H]2C[C@H]21 ZINC000761090440 1127451594 /nfs/dbraw/zinc/45/15/94/1127451594.db2.gz KCIPZRCMAGMXQC-GBIKHYSHSA-N 0 1 266.182 3.604 20 0 CHADMN CCCc1noc(CN2CCC[C@@H]2Cc2ccccc2C)n1 ZINC000359181644 1127453540 /nfs/dbraw/zinc/45/35/40/1127453540.db2.gz USKSLTALIVJLSS-MRXNPFEDSA-N 0 1 299.418 3.538 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccc2c(c1)COC2 ZINC000359250739 1127455439 /nfs/dbraw/zinc/45/54/39/1127455439.db2.gz WMELHBRZCMTBIN-NEPJUHHUSA-N 0 1 286.350 3.663 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1cccnc1)[C@@H]2C ZINC000359307323 1127458148 /nfs/dbraw/zinc/45/81/48/1127458148.db2.gz YALSDMAIGNEHRR-ZIAGYGMSSA-N 0 1 282.387 3.598 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000359334175 1127459592 /nfs/dbraw/zinc/45/95/92/1127459592.db2.gz RORGZWJHAKAGMO-NEPJUHHUSA-N 0 1 273.355 3.590 20 0 CHADMN CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1Cc1ncccc1[O-] ZINC000574980188 1127460079 /nfs/dbraw/zinc/46/00/79/1127460079.db2.gz MINOXHHPYUHVLB-OAHLLOKOSA-N 0 1 282.387 3.555 20 0 CHADMN CC1(C)[C@@H](c2ccccc2)CC[N@H+]1Cc1ncccc1[O-] ZINC000574980188 1127460080 /nfs/dbraw/zinc/46/00/80/1127460080.db2.gz MINOXHHPYUHVLB-OAHLLOKOSA-N 0 1 282.387 3.555 20 0 CHADMN CN(Cc1nnc(C(C)(C)C)o1)C1CCCCCC1 ZINC000046838045 1127461065 /nfs/dbraw/zinc/46/10/65/1127461065.db2.gz ILEKIJJJOACHEG-UHFFFAOYSA-N 0 1 265.401 3.522 20 0 CHADMN CCCCCC[C@@H](C)NCc1csc(COC)n1 ZINC000696170236 1127462752 /nfs/dbraw/zinc/46/27/52/1127462752.db2.gz IVCAHNGBXZZTPH-GFCCVEGCSA-N 0 1 270.442 3.738 20 0 CHADMN COc1cc2c(cc1F)nccc2N1[C@H](C)CC[C@@H]1C ZINC000359549240 1127467095 /nfs/dbraw/zinc/46/70/95/1127467095.db2.gz VCDCVTAALUEMOH-PHIMTYICSA-N 0 1 274.339 3.760 20 0 CHADMN C[C@@H]1CC[C@]2(CCN(Cc3cc(-c4ccco4)on3)C2)C1 ZINC000359555892 1127467707 /nfs/dbraw/zinc/46/77/07/1127467707.db2.gz LBSGAEGTCMLYDM-DYVFJYSZSA-N 0 1 286.375 3.947 20 0 CHADMN CCCCN(CCCC)Cc1nnc(C(C)(C)C)o1 ZINC000046856024 1127468015 /nfs/dbraw/zinc/46/80/15/1127468015.db2.gz WGYVJBIUZCBDKV-UHFFFAOYSA-N 0 1 267.417 3.769 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H](C)C(C)(C)CC)n1 ZINC000595638626 1127469232 /nfs/dbraw/zinc/46/92/32/1127469232.db2.gz JAEJMSCRNRIZJQ-MNOVXSKESA-N 0 1 285.457 3.798 20 0 CHADMN CC[C@H]1CO[C@H](C)CN1Cc1ccc(C(F)F)cc1 ZINC000359615774 1127470301 /nfs/dbraw/zinc/47/03/01/1127470301.db2.gz MCPKKLQLUUGRRL-RISCZKNCSA-N 0 1 269.335 3.624 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccccc1)c1ccc(Cl)cn1 ZINC000359634315 1127470975 /nfs/dbraw/zinc/47/09/75/1127470975.db2.gz NEDAQJARLCJFKN-WBMJQRKESA-N 0 1 290.794 3.509 20 0 CHADMN C[C@H](NCc1cc(F)cc(F)c1)c1ccc2c(c1)COC2 ZINC000359660536 1127471314 /nfs/dbraw/zinc/47/13/14/1127471314.db2.gz CWTWZRAFUYCISR-NSHDSACASA-N 0 1 289.325 3.846 20 0 CHADMN CC(C)SCCN1CC[C@H]1c1ccc(F)cc1 ZINC000595701209 1127472713 /nfs/dbraw/zinc/47/27/13/1127472713.db2.gz DTUXYDXIZGKSTJ-AWEZNQCLSA-N 0 1 253.386 3.714 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H](N[C@@H]1CCCCC1(F)F)C2 ZINC001168408366 1127477865 /nfs/dbraw/zinc/47/78/65/1127477865.db2.gz VWUFFPACYAZPLT-HUUCEWRRSA-N 0 1 283.337 3.851 20 0 CHADMN Cc1ccc(CN2CCc3sccc3[C@H]2C)c(C)n1 ZINC000359850142 1127480417 /nfs/dbraw/zinc/48/04/17/1127480417.db2.gz JHMJQHMRMGIUQO-CYBMUJFWSA-N 0 1 272.417 3.879 20 0 CHADMN CCc1cccc(C)c1NC(=O)c1cc(C)cc2cn[nH]c21 ZINC000359975857 1127485402 /nfs/dbraw/zinc/48/54/02/1127485402.db2.gz MPWFHVBRAQDMCH-UHFFFAOYSA-N 0 1 293.370 3.994 20 0 CHADMN CO[C@H](C)CN(Cc1ccco1)Cc1cccc(C)c1 ZINC000360027228 1127486974 /nfs/dbraw/zinc/48/69/74/1127486974.db2.gz GJVYBQMEPFUFSF-OAHLLOKOSA-N 0 1 273.376 3.625 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)CSCCC(C)C ZINC000360443821 1127499542 /nfs/dbraw/zinc/49/95/42/1127499542.db2.gz NDKQFWRKRDUIBP-UHFFFAOYSA-N 0 1 291.420 3.589 20 0 CHADMN Cc1ncsc1CNCc1ccccc1OCC(C)C ZINC000360515780 1127501200 /nfs/dbraw/zinc/50/12/00/1127501200.db2.gz BIYIMIZUUUKHLI-UHFFFAOYSA-N 0 1 290.432 3.776 20 0 CHADMN Cc1ccnc(C[N@@H+]2CC[C@H](C)C3(CCCCC3)C2)n1 ZINC000360611377 1127502581 /nfs/dbraw/zinc/50/25/81/1127502581.db2.gz MUZVUUIPAIHDJJ-AWEZNQCLSA-N 0 1 273.424 3.577 20 0 CHADMN Cc1ccnc(CN2CC[C@H](C)C3(CCCCC3)C2)n1 ZINC000360611377 1127502582 /nfs/dbraw/zinc/50/25/82/1127502582.db2.gz MUZVUUIPAIHDJJ-AWEZNQCLSA-N 0 1 273.424 3.577 20 0 CHADMN CC[C@@H](NCc1cnccc1OC)c1cccc(C)c1 ZINC000293561286 1127505647 /nfs/dbraw/zinc/50/56/47/1127505647.db2.gz ADPSKZDZCMNWPT-MRXNPFEDSA-N 0 1 270.376 3.640 20 0 CHADMN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc2cncn2c1 ZINC000360686844 1127506293 /nfs/dbraw/zinc/50/62/93/1127506293.db2.gz BKMIJZWKEKVLKI-HIFRSBDPSA-N 0 1 299.418 3.621 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000293574184 1127506720 /nfs/dbraw/zinc/50/67/20/1127506720.db2.gz BONRLBAKANDQTD-XIKOKIGWSA-N 0 1 284.403 3.877 20 0 CHADMN CC(C)SCCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596595317 1127509786 /nfs/dbraw/zinc/50/97/86/1127509786.db2.gz XJAHQYMTNPGQIZ-AWEZNQCLSA-N 0 1 264.438 3.606 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1cccnc1C ZINC000596660540 1127512512 /nfs/dbraw/zinc/51/25/12/1127512512.db2.gz NOZUQKRPFCLCRV-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1cccnc1C ZINC000596660539 1127512566 /nfs/dbraw/zinc/51/25/66/1127512566.db2.gz NOZUQKRPFCLCRV-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN CC(C)C[C@@H]1CCCN1Cc1nnc(C2CC2)n1C1CC1 ZINC000360892728 1127517984 /nfs/dbraw/zinc/51/79/84/1127517984.db2.gz WLNLHPKLVDUXMW-HNNXBMFYSA-N 0 1 288.439 3.501 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cn(C)nc2C(F)F)cc1F ZINC000360951902 1127523208 /nfs/dbraw/zinc/52/32/08/1127523208.db2.gz ULXOCCXQLODDCT-SNVBAGLBSA-N 0 1 297.324 3.656 20 0 CHADMN COCCN(Cc1ccc(C)nc1)[C@@H](C)c1ccccc1 ZINC000360966674 1127524428 /nfs/dbraw/zinc/52/44/28/1127524428.db2.gz RFBCUYFABFKRFB-INIZCTEOSA-N 0 1 284.403 3.600 20 0 CHADMN CCN(Cc1nc(-c2ccccc2)cs1)C[C@@H](C)OC ZINC000361007976 1127528840 /nfs/dbraw/zinc/52/88/40/1127528840.db2.gz CNEYDTLCSZQHAL-CYBMUJFWSA-N 0 1 290.432 3.667 20 0 CHADMN Cc1nc([C@H](C)NC[C@H](C)Oc2ccc(C)cc2)cs1 ZINC000361005716 1127529083 /nfs/dbraw/zinc/52/90/83/1127529083.db2.gz WSBRFXWTCAWDPV-STQMWFEESA-N 0 1 290.432 3.878 20 0 CHADMN CC1(C)CN(Cc2ccccc2)[C@H]1c1ccncc1 ZINC000293852703 1127526189 /nfs/dbraw/zinc/52/61/89/1127526189.db2.gz HVQSWZQFIFWZFL-INIZCTEOSA-N 0 1 252.361 3.665 20 0 CHADMN Cc1ccc(CN2CC[C@H](C)C[C@H]2c2ccco2)cn1 ZINC000360987015 1127526403 /nfs/dbraw/zinc/52/64/03/1127526403.db2.gz MVVNFMPEXHRXMW-BBRMVZONSA-N 0 1 270.376 3.956 20 0 CHADMN CC[N@H+](Cc1cccc([O-])c1Cl)[C@H]1CCOC(C)(C)C1 ZINC000293941318 1127535461 /nfs/dbraw/zinc/53/54/61/1127535461.db2.gz OHIWMIZJSYYLIS-ZDUSSCGKSA-N 0 1 297.826 3.825 20 0 CHADMN CC[N@@H+](Cc1cccc([O-])c1Cl)[C@H]1CCOC(C)(C)C1 ZINC000293941318 1127535464 /nfs/dbraw/zinc/53/54/64/1127535464.db2.gz OHIWMIZJSYYLIS-ZDUSSCGKSA-N 0 1 297.826 3.825 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cn(C)nc2C(F)F)c1 ZINC000361124494 1127539973 /nfs/dbraw/zinc/53/99/73/1127539973.db2.gz SNFGAFVCMRDGJY-UHFFFAOYSA-N 0 1 293.361 3.607 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccsc1 ZINC000361142179 1127540939 /nfs/dbraw/zinc/54/09/39/1127540939.db2.gz PBFIHFLGBHBCIG-MWLCHTKSSA-N 0 1 263.328 3.911 20 0 CHADMN c1ccc([C@@H]2N(Cc3cccnc3)CC23CCC3)cc1 ZINC000294073872 1127546826 /nfs/dbraw/zinc/54/68/26/1127546826.db2.gz YPIZPVFRLWQVTD-KRWDZBQOSA-N 0 1 264.372 3.809 20 0 CHADMN CCc1cc(CNc2cc(C(C)C)nc(C(C)C)n2)n[nH]1 ZINC000761224653 1127549976 /nfs/dbraw/zinc/54/99/76/1127549976.db2.gz VOMUREOIZWOPFJ-UHFFFAOYSA-N 0 1 287.411 3.621 20 0 CHADMN CCN(CCC1CC1)Cc1c(Cl)nc2ccccn21 ZINC000761225186 1127550810 /nfs/dbraw/zinc/55/08/10/1127550810.db2.gz AEFICBOSYLZWDW-UHFFFAOYSA-N 0 1 277.799 3.610 20 0 CHADMN CCCCc1nc(CN2CC[C@@H](C)[C@@H]2C)cs1 ZINC000361324948 1127557140 /nfs/dbraw/zinc/55/71/40/1127557140.db2.gz JXGMWLFBVOJPBS-NEPJUHHUSA-N 0 1 252.427 3.716 20 0 CHADMN CC[C@@H](NCc1occc1C)c1ccc(C(=O)OC)cc1 ZINC000294324230 1127564557 /nfs/dbraw/zinc/56/45/57/1127564557.db2.gz OOFLQKVILBZLGX-OAHLLOKOSA-N 0 1 287.359 3.616 20 0 CHADMN Cc1[nH]ncc1C(=O)N1Cc2ccccc2-c2ccccc21 ZINC000602098304 1127560200 /nfs/dbraw/zinc/56/02/00/1127560200.db2.gz FPWGQYOBMZTQTD-UHFFFAOYSA-N 0 1 289.338 3.546 20 0 CHADMN Cc1ccc(C)c(OCCN(C)Cc2cnccc2C)c1 ZINC000361411631 1127561652 /nfs/dbraw/zinc/56/16/52/1127561652.db2.gz BDRHWOPKMBEILD-UHFFFAOYSA-N 0 1 284.403 3.518 20 0 CHADMN CC(=O)Nc1cccc(CN2CC[C@H]2c2ccccc2)c1 ZINC000361399524 1127561821 /nfs/dbraw/zinc/56/18/21/1127561821.db2.gz GKPIWSXHPDVBCY-SFHVURJKSA-N 0 1 280.371 3.592 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@@H]2CSc3ccccc32)cn1 ZINC000361400054 1127561828 /nfs/dbraw/zinc/56/18/28/1127561828.db2.gz LJDLDRLIUXZFGH-IUODEOHRSA-N 0 1 287.432 3.962 20 0 CHADMN CCCC1CCC(N(C)C(=O)c2cccc3[nH]cnc32)CC1 ZINC000361447393 1127564148 /nfs/dbraw/zinc/56/41/48/1127564148.db2.gz ZKZWSKQVDWVXHA-UHFFFAOYSA-N 0 1 299.418 3.994 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2conc2C)o1 ZINC000294353411 1127567645 /nfs/dbraw/zinc/56/76/45/1127567645.db2.gz SSDIKIVBXGZWHP-NHYWBVRUSA-N 0 1 274.364 3.858 20 0 CHADMN CC(C)N(C)c1ccc(CN2CC[C@H]2c2ccccc2)cn1 ZINC000361511588 1127568819 /nfs/dbraw/zinc/56/88/19/1127568819.db2.gz TZAJGYUANFINNQ-SFHVURJKSA-N 0 1 295.430 3.873 20 0 CHADMN CN(c1nc(CN2CCC[C@@H]3CCC[C@@H]32)cs1)C1CC1 ZINC000361520393 1127569228 /nfs/dbraw/zinc/56/92/28/1127569228.db2.gz TYJQGCCEJCOQBS-WFASDCNBSA-N 0 1 291.464 3.506 20 0 CHADMN Cc1noc([C@@H](C)NC2CC(C)(C)CC(C)(C)C2)n1 ZINC000361608353 1127576656 /nfs/dbraw/zinc/57/66/56/1127576656.db2.gz FQOPGVLDGMSNAY-SNVBAGLBSA-N 0 1 265.401 3.634 20 0 CHADMN CCS[C@H](C)c1noc(CN(CC2CC2)C2CCC2)n1 ZINC000361582968 1127574593 /nfs/dbraw/zinc/57/45/93/1127574593.db2.gz KMJYPFNBKIDNRI-LLVKDONJSA-N 0 1 295.452 3.648 20 0 CHADMN C[C@@H]1CCSCCN1Cc1ccc(F)cc1Cl ZINC000361637653 1127578141 /nfs/dbraw/zinc/57/81/41/1127578141.db2.gz KWGAMWDAZLVQEM-SNVBAGLBSA-N 0 1 273.804 3.807 20 0 CHADMN C[C@@H]1CCSCCN1Cc1ccc(F)c(Cl)c1 ZINC000361642996 1127578331 /nfs/dbraw/zinc/57/83/31/1127578331.db2.gz KYIUOABZKXRWJL-SNVBAGLBSA-N 0 1 273.804 3.807 20 0 CHADMN COCCN(Cc1csc(C(C)C)n1)[C@@H]1CC[C@@H](C)C1 ZINC000361646089 1127579245 /nfs/dbraw/zinc/57/92/45/1127579245.db2.gz UNTWBPLYXWDYLR-UKRRQHHQSA-N 0 1 296.480 3.904 20 0 CHADMN Cc1cnccc1CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000294547362 1127581788 /nfs/dbraw/zinc/58/17/88/1127581788.db2.gz KAKKTDUNYVYTBM-GFCCVEGCSA-N 0 1 276.330 3.861 20 0 CHADMN C[C@@H](CC(F)(F)F)NCc1nc2c(s1)C[C@@H](C)CC2 ZINC000361747100 1127586143 /nfs/dbraw/zinc/58/61/43/1127586143.db2.gz YJDKMIXRZQAMIM-IUCAKERBSA-N 0 1 292.370 3.698 20 0 CHADMN C[C@@H](NCc1ccc(F)cn1)c1cccc(C2CC2)c1 ZINC000294764698 1127598046 /nfs/dbraw/zinc/59/80/46/1127598046.db2.gz MTBGTMAGKLDGGQ-GFCCVEGCSA-N 0 1 270.351 3.949 20 0 CHADMN CS[C@H](CNCc1nc2ccccc2o1)C(C)(C)C ZINC000602606411 1127598582 /nfs/dbraw/zinc/59/85/82/1127598582.db2.gz FFPJCPKAOGEGTN-CYBMUJFWSA-N 0 1 278.421 3.695 20 0 CHADMN CC(C)[C@H](NCc1cc(F)ncc1F)c1ccccc1 ZINC000294831422 1127602551 /nfs/dbraw/zinc/60/25/51/1127602551.db2.gz SJHRTVWXYGMASN-INIZCTEOSA-N 0 1 276.330 3.847 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cccc(C(F)(F)F)n2)CC1 ZINC001232069486 1127602817 /nfs/dbraw/zinc/60/28/17/1127602817.db2.gz OYFNFWZSWFKZOL-CYBMUJFWSA-N 0 1 290.304 3.815 20 0 CHADMN C[C@]1(F)CCCN(Cc2cccc(C(F)(F)F)n2)CC1 ZINC001232069487 1127602964 /nfs/dbraw/zinc/60/29/64/1127602964.db2.gz OYFNFWZSWFKZOL-ZDUSSCGKSA-N 0 1 290.304 3.815 20 0 CHADMN C[C@@H]1c2ccc(Cl)n2CCN1CC1CC(F)(F)C1 ZINC000294912569 1127607483 /nfs/dbraw/zinc/60/74/83/1127607483.db2.gz IITYSOYKNMHNRP-SECBINFHSA-N 0 1 274.742 3.563 20 0 CHADMN CCCCCCC(=O)COC(=O)c1ccc(O)c(Cl)c1 ZINC000784187392 1127608300 /nfs/dbraw/zinc/60/83/00/1127608300.db2.gz SQCRCVYBNHVTGK-UHFFFAOYSA-N 0 1 298.766 3.742 20 0 CHADMN CC(=O)c1ccc(CN(C)Cc2cccc(N(C)C)c2)cc1 ZINC000294958700 1127611190 /nfs/dbraw/zinc/61/11/90/1127611190.db2.gz MSILRRBRIWVJGD-UHFFFAOYSA-N 0 1 296.414 3.587 20 0 CHADMN COCCN(Cc1ccncc1Cl)C[C@@H]1CC=CCC1 ZINC000362255550 1127622750 /nfs/dbraw/zinc/62/27/50/1127622750.db2.gz XWJNEUZQHXDAKR-CQSZACIVSA-N 0 1 294.826 3.540 20 0 CHADMN C[C@@H]1C[C@H](NCc2cc3ccccc3s2)c2nccn21 ZINC000295146457 1127623349 /nfs/dbraw/zinc/62/33/49/1127623349.db2.gz CENFMIGMHOAZBP-RISCZKNCSA-N 0 1 283.400 3.893 20 0 CHADMN Cc1nc(F)ccc1CNCc1cc(C2CC2)ccc1F ZINC000295188078 1127626312 /nfs/dbraw/zinc/62/63/12/1127626312.db2.gz WWAZTHUXEDDRIG-UHFFFAOYSA-N 0 1 288.341 3.835 20 0 CHADMN COCc1cc(CNCc2cccc(C)c2F)ccc1F ZINC000295250155 1127630089 /nfs/dbraw/zinc/63/00/89/1127630089.db2.gz UDJGEKZWRNMIDH-UHFFFAOYSA-N 0 1 291.341 3.709 20 0 CHADMN CC[C@@]1(C)CCCN(CC(=O)Nc2c(C)cccc2C)C1 ZINC000362391534 1127632287 /nfs/dbraw/zinc/63/22/87/1127632287.db2.gz PCGXVWWIJJDJES-SFHVURJKSA-N 0 1 288.435 3.754 20 0 CHADMN CCc1nc([C@H](C)SC[C@@H]2CC[C@@H]3C[C@@H]3C2)n[nH]1 ZINC000598719872 1127633742 /nfs/dbraw/zinc/63/37/42/1127633742.db2.gz OCHIVRINPMSRNJ-QCNOEVLYSA-N 0 1 265.426 3.598 20 0 CHADMN Cc1ccc(-c2nnc(CN3C[C@@H](C)CC[C@H]3C)o2)cc1 ZINC000362442407 1127635783 /nfs/dbraw/zinc/63/57/83/1127635783.db2.gz XFGIZYHNCSVYNR-UONOGXRCSA-N 0 1 285.391 3.665 20 0 CHADMN CCC1(CC)CCN(C(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC000362458862 1127637164 /nfs/dbraw/zinc/63/71/64/1127637164.db2.gz FHKWAQNVCLZZJS-UHFFFAOYSA-N 0 1 299.418 3.914 20 0 CHADMN CSCCCN(C)Cc1ccc(Cl)cc1F ZINC000362478724 1127639428 /nfs/dbraw/zinc/63/94/28/1127639428.db2.gz GJHJHCJLZFFBRV-UHFFFAOYSA-N 0 1 261.793 3.664 20 0 CHADMN CSC[C@H]1CCCN1Cc1cc(F)cc(Cl)c1 ZINC000362513576 1127641832 /nfs/dbraw/zinc/64/18/32/1127641832.db2.gz VVOUFYLUIYGURH-CYBMUJFWSA-N 0 1 273.804 3.807 20 0 CHADMN COc1c(O)cccc1CN1CCc2c(C)cc(C)cc2C1 ZINC000362517421 1127642099 /nfs/dbraw/zinc/64/20/99/1127642099.db2.gz ZOPWORVUJAXBHJ-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN COc1ccc(F)c(CN2CCC(OC(C)(C)C)CC2)c1 ZINC000295460341 1127644170 /nfs/dbraw/zinc/64/41/70/1127644170.db2.gz VUYQVWRTCJSJQN-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN Cc1cnccc1CN[C@@H]1CCCOc2cc(F)ccc21 ZINC000295545869 1127646005 /nfs/dbraw/zinc/64/60/05/1127646005.db2.gz XVITWGPHUJBZLS-MRXNPFEDSA-N 0 1 286.350 3.533 20 0 CHADMN C[C@H](N[C@@H]1CCCc2nc(Cl)ccc21)c1cccnc1 ZINC000295797260 1127652575 /nfs/dbraw/zinc/65/25/75/1127652575.db2.gz BWKOOIWFXYLGND-SMDDNHRTSA-N 0 1 287.794 3.858 20 0 CHADMN COC(=O)c1coc(CN[C@H](C)c2cccc(C3CC3)c2)c1 ZINC000295955157 1127658339 /nfs/dbraw/zinc/65/83/39/1127658339.db2.gz HKTFZYPWOWBEAO-GFCCVEGCSA-N 0 1 299.370 3.794 20 0 CHADMN Cc1cncc([C@@H](C)N[C@@H]2C[C@@H](C)Oc3ccccc32)c1 ZINC000295836945 1127654976 /nfs/dbraw/zinc/65/49/76/1127654976.db2.gz AHQVDNJQQPXSQN-CKEIUWERSA-N 0 1 282.387 3.953 20 0 CHADMN C[C@@H](NCc1cccnc1N)c1ccc(C(F)(F)F)cc1 ZINC000295852022 1127655188 /nfs/dbraw/zinc/65/51/88/1127655188.db2.gz BEOBMEAUEZZVNI-SNVBAGLBSA-N 0 1 295.308 3.533 20 0 CHADMN CC(C)Oc1cccc(NC(=O)c2cn[nH]c2C(C)C)c1 ZINC000295836347 1127655326 /nfs/dbraw/zinc/65/53/26/1127655326.db2.gz ZVUQGZGYXSBBKC-UHFFFAOYSA-N 0 1 287.363 3.573 20 0 CHADMN COc1cccc2c1OCC[C@@H]2NCc1ccccc1C ZINC000603518937 1127656462 /nfs/dbraw/zinc/65/64/62/1127656462.db2.gz RDSNXHJSINTGDN-INIZCTEOSA-N 0 1 283.371 3.617 20 0 CHADMN CC(C)c1ccc(OCCN[C@H]2C[C@H](C)n3ccnc32)cc1 ZINC000295879814 1127656616 /nfs/dbraw/zinc/65/66/16/1127656616.db2.gz HOBBZNMZSAPOMK-YOEHRIQHSA-N 0 1 299.418 3.681 20 0 CHADMN CC(C)(C)c1ncc(CNc2ccc3cnccc3c2)cn1 ZINC000295895055 1127656679 /nfs/dbraw/zinc/65/66/79/1127656679.db2.gz BOCHSMNRAZFGBN-UHFFFAOYSA-N 0 1 292.386 3.934 20 0 CHADMN C[C@@]1(F)CCCN(Cc2ccc3ncccc3c2)C1 ZINC000295944819 1127658001 /nfs/dbraw/zinc/65/80/01/1127658001.db2.gz GOXKUNQLXYFPCP-MRXNPFEDSA-N 0 1 258.340 3.559 20 0 CHADMN C[C@H](N[C@H]1CCCc2nc(Cl)ccc21)c1ccccn1 ZINC000296017671 1127660673 /nfs/dbraw/zinc/66/06/73/1127660673.db2.gz PGKIMJRPUWKENP-FZMZJTMJSA-N 0 1 287.794 3.858 20 0 CHADMN Fc1cc(F)c2c(c1)[C@@H](NCc1ccccn1)CCC2 ZINC000296045272 1127660917 /nfs/dbraw/zinc/66/09/17/1127660917.db2.gz OGMGGGPQFVZAKB-INIZCTEOSA-N 0 1 274.314 3.527 20 0 CHADMN CCn1cc([C@H](C)N[C@@H](C)c2nccc3ccccc32)cn1 ZINC000296056704 1127662073 /nfs/dbraw/zinc/66/20/73/1127662073.db2.gz VMXRETHJUMLAFH-KBPBESRZSA-N 0 1 294.402 3.863 20 0 CHADMN CCc1nc(C)c([C@@H](C)N[C@@H](C)c2cnn(CC)c2)s1 ZINC000296092757 1127663091 /nfs/dbraw/zinc/66/30/91/1127663091.db2.gz YGWHCGCVKISCCT-WDEREUQCSA-N 0 1 292.452 3.642 20 0 CHADMN c1cn2c(n1)[C@@H](N[C@@H](CC1CCC1)c1ccccc1)CC2 ZINC000296235066 1127665889 /nfs/dbraw/zinc/66/58/89/1127665889.db2.gz APMPLCGZWQBLNC-IRXDYDNUSA-N 0 1 281.403 3.849 20 0 CHADMN CCC[C@H](C)CCCN[C@H](C)c1ncc(C(=O)OC)s1 ZINC000599440166 1127671216 /nfs/dbraw/zinc/67/12/16/1127671216.db2.gz MFQJPRZDZXOUDF-NWDGAFQWSA-N 0 1 298.452 3.797 20 0 CHADMN CS[C@H]1CCN(Cc2nc3cc(C)ccc3s2)C1 ZINC000599432064 1127672220 /nfs/dbraw/zinc/67/22/20/1127672220.db2.gz ZYTRWBMQLLLVSB-NSHDSACASA-N 0 1 278.446 3.542 20 0 CHADMN FC(F)(F)[C@H]1C[C@@H](Nc2ccc3cnccc3c2)CCO1 ZINC000296585661 1127677101 /nfs/dbraw/zinc/67/71/01/1127677101.db2.gz QBKFNIVOANOIRW-UONOGXRCSA-N 0 1 296.292 3.757 20 0 CHADMN C[C@H]1CN(Cc2ccsc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599583078 1127681441 /nfs/dbraw/zinc/68/14/41/1127681441.db2.gz QFLOURXKRPQJKD-GXTWGEPZSA-N 0 1 295.448 3.548 20 0 CHADMN c1nnsc1CN1CCC[C@@H]1CCCc1ccccc1 ZINC000296688411 1127681946 /nfs/dbraw/zinc/68/19/46/1127681946.db2.gz CMKSHIGZIAFGPI-HNNXBMFYSA-N 0 1 287.432 3.525 20 0 CHADMN C[C@@H]1CC[C@H](N[C@H]2CCn3ccnc32)c2ccccc21 ZINC000296719763 1127682606 /nfs/dbraw/zinc/68/26/06/1127682606.db2.gz IOGHWWYKZXULBI-KCXAZCMYSA-N 0 1 267.376 3.556 20 0 CHADMN CC(C)c1nnc(CN2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)o1 ZINC000296810563 1127683592 /nfs/dbraw/zinc/68/35/92/1127683592.db2.gz RKLXBFXOTGSIGX-YCPHGPKFSA-N 0 1 299.418 3.960 20 0 CHADMN S=c1ncccn1CN1CCC[C@@H](c2ccccc2)CC1 ZINC000171045810 1127679640 /nfs/dbraw/zinc/67/96/40/1127679640.db2.gz GXYDWJBWEMTUSX-MRXNPFEDSA-N 0 1 299.443 3.840 20 0 CHADMN CC[C@@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1ccsc1 ZINC000296641984 1127680001 /nfs/dbraw/zinc/68/00/01/1127680001.db2.gz CXBBVVHTOQMSPB-CMPLNLGQSA-N 0 1 278.425 3.792 20 0 CHADMN CC(F)(F)CCN[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000296642838 1127680053 /nfs/dbraw/zinc/68/00/53/1127680053.db2.gz CECRWNDCIFOBIH-HNNXBMFYSA-N 0 1 294.320 3.945 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cccc(OC)n1 ZINC000603968246 1127685577 /nfs/dbraw/zinc/68/55/77/1127685577.db2.gz PNGSZGSJPPYJMW-KRWDZBQOSA-N 0 1 282.387 3.600 20 0 CHADMN COc1cccc(CN(C)Cc2ccccc2C)c1F ZINC000669707040 1127689414 /nfs/dbraw/zinc/68/94/14/1127689414.db2.gz SJMNTJBJRFSRQA-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN CC[C@H](NCc1ccnc(OC(F)F)c1)c1ccsc1 ZINC000297247204 1127691498 /nfs/dbraw/zinc/69/14/98/1127691498.db2.gz JAHZFAUDXHSWRC-LBPRGKRZSA-N 0 1 298.358 3.985 20 0 CHADMN CCc1noc(C)c1CN[C@H](CC)c1ccsc1 ZINC000297257223 1127692271 /nfs/dbraw/zinc/69/22/71/1127692271.db2.gz JRXVZPHKDNQEGB-CYBMUJFWSA-N 0 1 264.394 3.848 20 0 CHADMN CCO[C@@H]1C[C@H](Nc2ccc3cnccc3c2)[C@H]1SC ZINC000297339147 1127693927 /nfs/dbraw/zinc/69/39/27/1127693927.db2.gz FACOHWCIQOPCAV-ARFHVFGLSA-N 0 1 288.416 3.556 20 0 CHADMN CC(C)c1nnc(CN(C)[C@@H]2CCC[C@@H]2c2ccccc2)o1 ZINC000297421819 1127695843 /nfs/dbraw/zinc/69/58/43/1127695843.db2.gz DRQYZUHQUFSLCO-HZPDHXFCSA-N 0 1 299.418 3.961 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2cn(C)nc2C)cs1 ZINC000297551234 1127699401 /nfs/dbraw/zinc/69/94/01/1127699401.db2.gz FPFPXXABTCHIDZ-QWRGUYRKSA-N 0 1 263.410 3.510 20 0 CHADMN CCCO[C@@H]1CCC[N@@H+](Cc2ccc(C(C)=O)cc2)CC1 ZINC000297502461 1127698551 /nfs/dbraw/zinc/69/85/51/1127698551.db2.gz NFCCSKJNQIVXLR-GOSISDBHSA-N 0 1 289.419 3.670 20 0 CHADMN O=C(C[C@@H]1CCc2ccccc21)Nc1ccc2nc[nH]c2c1 ZINC000604319944 1127701776 /nfs/dbraw/zinc/70/17/76/1127701776.db2.gz RHMXAMBURLLPGW-ZDUSSCGKSA-N 0 1 291.354 3.622 20 0 CHADMN Cc1n[nH]c(C(=O)NC2(c3ccccc3)CCCCC2)c1C ZINC000604333435 1127702417 /nfs/dbraw/zinc/70/24/17/1127702417.db2.gz RTTRLZTYXCNSJN-UHFFFAOYSA-N 0 1 297.402 3.616 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H](C)CCC2CCCCC2)c1C ZINC000604348066 1127703257 /nfs/dbraw/zinc/70/32/57/1127703257.db2.gz RYOJWJUELFKCJJ-NSHDSACASA-N 0 1 277.412 3.505 20 0 CHADMN Cc1noc([C@H](C)N[C@@H](CCC(C)C)C(C)(C)C)n1 ZINC000604413816 1127705161 /nfs/dbraw/zinc/70/51/61/1127705161.db2.gz IXQLNTSHKGMFCD-AAEUAGOBSA-N 0 1 267.417 3.880 20 0 CHADMN CCN(CCSC)[C@H](C)c1ccc(F)cc1F ZINC000604503453 1127708281 /nfs/dbraw/zinc/70/82/81/1127708281.db2.gz UJDDCADDHMUVTC-SNVBAGLBSA-N 0 1 259.365 3.711 20 0 CHADMN CCn1ccnc1[C@H](C)NC[C@@H](C)Sc1ccccc1 ZINC000297861512 1127710478 /nfs/dbraw/zinc/71/04/78/1127710478.db2.gz UBPKBFKQHSTZOG-KGLIPLIRSA-N 0 1 289.448 3.734 20 0 CHADMN CC[C@H](N)c1cc(-c2ccccc2C(F)(F)F)no1 ZINC000229869382 1127712130 /nfs/dbraw/zinc/71/21/30/1127712130.db2.gz RFDIKWNFKOGILJ-JTQLQIEISA-N 0 1 270.254 3.770 20 0 CHADMN C[C@H](N[C@@H]1CCc2nc(Cl)ccc21)c1ccns1 ZINC001118865865 1131240674 /nfs/dbraw/zinc/24/06/74/1131240674.db2.gz SKIYKXMUJCUERE-WCBMZHEXSA-N 0 1 279.796 3.530 20 0 CHADMN CC[C@H]1CCCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000298365116 1127720530 /nfs/dbraw/zinc/72/05/30/1127720530.db2.gz ALBQRTCQCCUMBI-OLZOCXBDSA-N 0 1 285.391 3.518 20 0 CHADMN Cc1cccc(F)c1CN1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001232481274 1127717678 /nfs/dbraw/zinc/71/76/78/1127717678.db2.gz CJJVHDVMXZNYAN-ZYHUDNBSSA-N 0 1 293.279 3.714 20 0 CHADMN C[C@H](NC(=O)C(F)F)c1cc(F)c(Cl)cc1Cl ZINC000298291821 1127718378 /nfs/dbraw/zinc/71/83/78/1127718378.db2.gz GJWRGQGUWFOASK-BYPYZUCNSA-N 0 1 286.080 3.575 20 0 CHADMN CC[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)C ZINC000298301526 1127718549 /nfs/dbraw/zinc/71/85/49/1127718549.db2.gz QOMTZDHMLLKUOE-QGZVFWFLSA-N 0 1 282.387 3.632 20 0 CHADMN CC[C@@H]1CCCN(Cc2nccn2Cc2ccccc2)CC1 ZINC000604998845 1127724707 /nfs/dbraw/zinc/72/47/07/1127724707.db2.gz HDLPYAAQFKUOQQ-QGZVFWFLSA-N 0 1 297.446 3.944 20 0 CHADMN CCN(CC)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000298706828 1127730232 /nfs/dbraw/zinc/73/02/32/1127730232.db2.gz XTVGMLCWYLCZDG-SECBINFHSA-N 0 1 289.206 3.662 20 0 CHADMN Cc1ccc(-c2nnc([C@H](C)N3C4CCC3CC4)o2)cc1 ZINC000605186671 1127730975 /nfs/dbraw/zinc/73/09/75/1127730975.db2.gz CHOCAVHEVAXRNM-GRTSSRMGSA-N 0 1 283.375 3.733 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2ccnc(Cl)c2)C1 ZINC000171832745 1127731161 /nfs/dbraw/zinc/73/11/61/1127731161.db2.gz VHZCSOHCMSDVHU-CYBMUJFWSA-N 0 1 284.856 3.843 20 0 CHADMN Cc1cccc([C@H]2CCCN2C(=O)c2cc(C3CC3)[nH]n2)c1 ZINC000299032699 1127738459 /nfs/dbraw/zinc/73/84/59/1127738459.db2.gz VEIOUTQVMSUODT-QGZVFWFLSA-N 0 1 295.386 3.573 20 0 CHADMN C[C@H](c1cccnc1)N(C)Cc1cccc(Cl)c1 ZINC000299050026 1127739672 /nfs/dbraw/zinc/73/96/72/1127739672.db2.gz TVBLTRUBBXZDSH-GFCCVEGCSA-N 0 1 260.768 3.928 20 0 CHADMN O[C@H](CN1CCCCC1)c1ccc(Cl)cc1Cl ZINC000062350926 1127748368 /nfs/dbraw/zinc/74/83/68/1127748368.db2.gz ZHOPKPANPMENCH-CYBMUJFWSA-N 0 1 274.191 3.513 20 0 CHADMN Cc1oncc1C[N@@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000366887300 1127749008 /nfs/dbraw/zinc/74/90/08/1127749008.db2.gz SHEWOMLFJQOYNO-XJKSGUPXSA-N 0 1 270.376 3.751 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC([C@H]2CCOC2)CC1 ZINC000368271368 1127757909 /nfs/dbraw/zinc/75/79/09/1127757909.db2.gz HPPXPQFQRHBMNU-WFASDCNBSA-N 0 1 295.373 3.774 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1Cc1nc(C(C)C)no1 ZINC000606433927 1127762394 /nfs/dbraw/zinc/76/23/94/1127762394.db2.gz CJEVJOKPZCQKMM-QWHCGFSZSA-N 0 1 265.401 3.594 20 0 CHADMN CCO[C@@H](C)c1nc(CN2CC[C@H](C(C)C)C2)cs1 ZINC000409445725 1127767060 /nfs/dbraw/zinc/76/70/60/1127767060.db2.gz QOBWIEATMYEZGF-STQMWFEESA-N 0 1 282.453 3.719 20 0 CHADMN c1cn2cc(CN3CCC4(CCCC4)CC3)nc2s1 ZINC000606454018 1127763962 /nfs/dbraw/zinc/76/39/62/1127763962.db2.gz HOVXXQXJNPGLEG-UHFFFAOYSA-N 0 1 275.421 3.552 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000543808428 1127765046 /nfs/dbraw/zinc/76/50/46/1127765046.db2.gz OUASJFYHTMKXBJ-IIYDPXPESA-N 0 1 291.439 3.940 20 0 CHADMN CC(C)n1cc(CN2CCC[C@H](Oc3ccccc3)C2)cn1 ZINC000371413507 1127765389 /nfs/dbraw/zinc/76/53/89/1127765389.db2.gz UTTSLAAVVNCHTQ-SFHVURJKSA-N 0 1 299.418 3.507 20 0 CHADMN CC(C)(C)c1noc(CN2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000409446292 1127768045 /nfs/dbraw/zinc/76/80/45/1127768045.db2.gz UANLNRUTVKRCRY-STQMWFEESA-N 0 1 277.412 3.522 20 0 CHADMN CCCc1noc(CN(CCC(C)C)CCC(C)C)n1 ZINC000409446347 1127769932 /nfs/dbraw/zinc/76/99/32/1127769932.db2.gz MTTGSJNVHQVNPR-UHFFFAOYSA-N 0 1 281.444 3.916 20 0 CHADMN C[C@@H]1CN(Cc2ncc(C(C)(C)C)o2)C(C)(C)C1 ZINC000409445170 1127770639 /nfs/dbraw/zinc/77/06/39/1127770639.db2.gz BLDMLJGTDRMLFT-NSHDSACASA-N 0 1 250.386 3.593 20 0 CHADMN c1coc(CNCc2ccc(-c3ccncc3)cc2)c1 ZINC000371763053 1127777846 /nfs/dbraw/zinc/77/78/46/1127777846.db2.gz STANPKDHHPDMOC-UHFFFAOYSA-N 0 1 264.328 3.631 20 0 CHADMN COC(=O)c1oc(CN2CC=C(C(C)(C)C)CC2)cc1C ZINC000533958828 1127781174 /nfs/dbraw/zinc/78/11/74/1127781174.db2.gz JZOLYZWDUMRYQS-UHFFFAOYSA-N 0 1 291.391 3.553 20 0 CHADMN CC[C@H]1CCCCCN1Cc1noc(-c2ccccc2)n1 ZINC000606900787 1127781365 /nfs/dbraw/zinc/78/13/65/1127781365.db2.gz OSCDHLGQNHHEEW-HNNXBMFYSA-N 0 1 285.391 3.891 20 0 CHADMN CC[C@H]1CCCCCN1Cc1nc(-c2cccs2)no1 ZINC000606901225 1127781522 /nfs/dbraw/zinc/78/15/22/1127781522.db2.gz OOQYCBSLMYYJLQ-LBPRGKRZSA-N 0 1 291.420 3.953 20 0 CHADMN CC[C@H]1CCCCCN1Cc1nc(CCC(C)C)no1 ZINC000606936945 1127784270 /nfs/dbraw/zinc/78/42/70/1127784270.db2.gz SRSRIJCEIBIRAG-AWEZNQCLSA-N 0 1 279.428 3.813 20 0 CHADMN CC(C)C[C@H]1CCCCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000607129897 1127791348 /nfs/dbraw/zinc/79/13/48/1127791348.db2.gz CNFZRPDKDAKBJM-CQSZACIVSA-N 0 1 291.439 3.964 20 0 CHADMN Cc1ccc(-c2nc(CN3C[C@H](C)C[C@H]3C)cs2)o1 ZINC000607154382 1127791761 /nfs/dbraw/zinc/79/17/61/1127791761.db2.gz UCDIVXAFYGIGPB-GHMZBOCLSA-N 0 1 276.405 3.942 20 0 CHADMN CCc1cc(C(=O)N(C)C2CCC(C(C)(C)C)CC2)n[nH]1 ZINC000410065645 1127793620 /nfs/dbraw/zinc/79/36/20/1127793620.db2.gz KBZUVXSJWCJBJH-UHFFFAOYSA-N 0 1 291.439 3.649 20 0 CHADMN CC(C)n1nccc1CN(C)CCc1ccc(Cl)cc1 ZINC000410373995 1127807835 /nfs/dbraw/zinc/80/78/35/1127807835.db2.gz SMZASLNERHDSBA-UHFFFAOYSA-N 0 1 291.826 3.792 20 0 CHADMN CS[C@H]1CCCCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000372731092 1127810905 /nfs/dbraw/zinc/81/09/05/1127810905.db2.gz SWERLXMBCVMXON-INIZCTEOSA-N 0 1 293.480 3.716 20 0 CHADMN S=c1[nH]ccn1CN(CC1CCCCC1)C1CC1 ZINC000173331737 1127819446 /nfs/dbraw/zinc/81/94/46/1127819446.db2.gz BVYRJRPVCJYSMY-UHFFFAOYSA-N 0 1 265.426 3.548 20 0 CHADMN C[C@H](c1cn(-c2ccccc2)nn1)N1C[C@@H](C)CC(C)(C)C1 ZINC001168423444 1127815798 /nfs/dbraw/zinc/81/57/98/1127815798.db2.gz KJEYVMSOKXTOHA-LSDHHAIUSA-N 0 1 298.434 3.696 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CN(C)Cc3ccccc32)c(C)o1 ZINC000373054560 1127820911 /nfs/dbraw/zinc/82/09/11/1127820911.db2.gz HWBJGGAYJQMBGO-ACJLOTCBSA-N 0 1 284.403 3.734 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCC[C@@H](C)[C@H]2C)n1 ZINC000607740604 1127821869 /nfs/dbraw/zinc/82/18/69/1127821869.db2.gz CRKSDXKWDCZHHK-TZMCWYRMSA-N 0 1 285.391 3.665 20 0 CHADMN Cc1ccc(-c2noc(CN3CCC[C@H](C)[C@H]3C)n2)cc1 ZINC000607740502 1127821966 /nfs/dbraw/zinc/82/19/66/1127821966.db2.gz YWCWVMUZZFQOTN-UONOGXRCSA-N 0 1 285.391 3.665 20 0 CHADMN Cc1ccc(-c2nc(CN3C[C@@H]4[C@H](C3)C4(C)C)cs2)o1 ZINC000607753263 1127827413 /nfs/dbraw/zinc/82/74/13/1127827413.db2.gz QOMAFWSQIWKQNY-BETUJISGSA-N 0 1 288.416 3.799 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3csc(Cc4ccccc4)n3)C[C@@H]21 ZINC000607753112 1127827757 /nfs/dbraw/zinc/82/77/57/1127827757.db2.gz WTUNKSVVHLRNKN-IYBDPMFKSA-N 0 1 298.455 3.822 20 0 CHADMN CCCN(CCC)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000411166219 1127843894 /nfs/dbraw/zinc/84/38/94/1127843894.db2.gz LMNSAFUMFZLLBE-LLVKDONJSA-N 0 1 253.390 3.550 20 0 CHADMN CC(C)c1ccc(C(C)(C)NCc2ccc(CO)o2)cc1 ZINC000608056464 1127845933 /nfs/dbraw/zinc/84/59/33/1127845933.db2.gz ZRYFVPCPQPIBAQ-UHFFFAOYSA-N 0 1 287.403 3.920 20 0 CHADMN CCC[N@@H+](CCc1cccc(F)c1)[C@@H](C)c1nnc(C)o1 ZINC000411274396 1127851067 /nfs/dbraw/zinc/85/10/67/1127851067.db2.gz WKBARJIQOJLSJJ-LBPRGKRZSA-N 0 1 291.370 3.533 20 0 CHADMN CCCN(CCc1cccc(F)c1)[C@@H](C)c1nnc(C)o1 ZINC000411274396 1127851073 /nfs/dbraw/zinc/85/10/73/1127851073.db2.gz WKBARJIQOJLSJJ-LBPRGKRZSA-N 0 1 291.370 3.533 20 0 CHADMN CC[C@H](CN(CC)[C@H](C)c1nnc(C)[nH]1)c1ccccc1 ZINC000411560971 1127866116 /nfs/dbraw/zinc/86/61/16/1127866116.db2.gz QBGOGLMYDRWWKQ-UKRRQHHQSA-N 0 1 286.423 3.690 20 0 CHADMN CCO[C@H](C)c1nc(CN(C)C[Si](C)(C)C)cs1 ZINC000174012557 1127866159 /nfs/dbraw/zinc/86/61/59/1127866159.db2.gz ZIJXTARLGPXQPI-LLVKDONJSA-N 0 1 286.517 3.550 20 0 CHADMN Cc1ccccc1[C@]1(F)CCN(CCc2cncs2)C1 ZINC000411686141 1127868631 /nfs/dbraw/zinc/86/86/31/1127868631.db2.gz COGDDTOXIWLCAL-INIZCTEOSA-N 0 1 290.407 3.565 20 0 CHADMN CCCN(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000374052594 1127871150 /nfs/dbraw/zinc/87/11/50/1127871150.db2.gz VXMWIIDPKDSQJA-OAHLLOKOSA-N 0 1 275.783 3.561 20 0 CHADMN c1cc(-c2noc(CN3C4CCCC3CCC4)n2)cs1 ZINC000608499188 1127871235 /nfs/dbraw/zinc/87/12/35/1127871235.db2.gz COEBDLGDDQGNII-UHFFFAOYSA-N 0 1 289.404 3.705 20 0 CHADMN c1ccc(-c2nnc(CN3C4CCCC3CCC4)o2)cc1 ZINC000608498867 1127871359 /nfs/dbraw/zinc/87/13/59/1127871359.db2.gz FCAHSYBQOWKNGT-UHFFFAOYSA-N 0 1 283.375 3.644 20 0 CHADMN CCc1noc(C[N@@H+](C)[C@H]2CCC[C@H]2c2ccc(C)cc2)n1 ZINC000608501450 1127871662 /nfs/dbraw/zinc/87/16/62/1127871662.db2.gz NNNORHJQCGDAQM-HOTGVXAUSA-N 0 1 299.418 3.709 20 0 CHADMN CCc1noc(CN(C)[C@H]2CCC[C@H]2c2ccc(C)cc2)n1 ZINC000608501450 1127871668 /nfs/dbraw/zinc/87/16/68/1127871668.db2.gz NNNORHJQCGDAQM-HOTGVXAUSA-N 0 1 299.418 3.709 20 0 CHADMN Cc1ccccc1-c1noc(CN2C3CCCC2CCC3)n1 ZINC000608499775 1127871682 /nfs/dbraw/zinc/87/16/82/1127871682.db2.gz ZLTABPSRXAARFO-UHFFFAOYSA-N 0 1 297.402 3.952 20 0 CHADMN CCc1ccccc1NC(=O)CN1C2CCCC1CCC2 ZINC000608498974 1127872027 /nfs/dbraw/zinc/87/20/27/1127872027.db2.gz NFUVCLYCYSSKPP-UHFFFAOYSA-N 0 1 286.419 3.595 20 0 CHADMN Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CO1 ZINC000608498752 1127872205 /nfs/dbraw/zinc/87/22/05/1127872205.db2.gz CSXRXUNMVFDNBC-VQIMIIECSA-N 0 1 281.399 3.957 20 0 CHADMN Cc1ccccc1[C@H]1CN(Cc2ccccc2)[C@H](C)CO1 ZINC000608498752 1127872209 /nfs/dbraw/zinc/87/22/09/1127872209.db2.gz CSXRXUNMVFDNBC-VQIMIIECSA-N 0 1 281.399 3.957 20 0 CHADMN c1cn(-c2ccccc2)nc1CN1C2CCCC1CCC2 ZINC000608499422 1127872250 /nfs/dbraw/zinc/87/22/50/1127872250.db2.gz JPRDBAPFNKAPOL-UHFFFAOYSA-N 0 1 281.403 3.779 20 0 CHADMN CCc1nnc(CN(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)o1 ZINC000374117620 1127874775 /nfs/dbraw/zinc/87/47/75/1127874775.db2.gz FQJYDYNZZFMYEY-JKSUJKDBSA-N 0 1 299.418 3.709 20 0 CHADMN Clc1ccc(CN2CCC(OCC3CC3)CC2)cc1 ZINC000374139282 1127875865 /nfs/dbraw/zinc/87/58/65/1127875865.db2.gz AOCCUOUYMFPMRY-UHFFFAOYSA-N 0 1 279.811 3.731 20 0 CHADMN CCCCc1nc(CN[C@@H](C)[C@](C)(OC)C2CC2)cs1 ZINC000411944572 1127881572 /nfs/dbraw/zinc/88/15/72/1127881572.db2.gz JYILRZZJFUGHKI-LRDDRELGSA-N 0 1 296.480 3.779 20 0 CHADMN CCc1nnc(CN(C)[C@@H]2CCCC[C@@H]2c2ccccc2)[nH]1 ZINC000412015680 1127887303 /nfs/dbraw/zinc/88/73/03/1127887303.db2.gz UEEPKQRADGUIFB-HZPDHXFCSA-N 0 1 298.434 3.525 20 0 CHADMN CCCCc1nc(CN[C@@H](C)C2(OC)CCC2)cs1 ZINC000412016306 1127888303 /nfs/dbraw/zinc/88/83/03/1127888303.db2.gz BPKHUEYYSCPWFQ-LBPRGKRZSA-N 0 1 282.453 3.533 20 0 CHADMN CCN(Cc1occc1C)Cc1ccc(C)nc1C ZINC000412024662 1127888385 /nfs/dbraw/zinc/88/83/85/1127888385.db2.gz GKWBHLCWDIOLBS-UHFFFAOYSA-N 0 1 258.365 3.622 20 0 CHADMN CC[C@@H](F)CN(C)Cc1ccc(OC)c(Cl)c1 ZINC000412024100 1127889014 /nfs/dbraw/zinc/88/90/14/1127889014.db2.gz BHRGAEKGPOARHR-LLVKDONJSA-N 0 1 259.752 3.529 20 0 CHADMN COc1ccc(CN(C)Cc2cccnc2C)cc1Cl ZINC000412036654 1127891191 /nfs/dbraw/zinc/89/11/91/1127891191.db2.gz HEKDJPLPBCCMIN-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN CCS[C@H]1CC[C@@H](N(C)Cc2cccnc2Cl)C1 ZINC000174343265 1127890873 /nfs/dbraw/zinc/89/08/73/1127890873.db2.gz INNNJZJFFJXDSD-OLZOCXBDSA-N 0 1 284.856 3.841 20 0 CHADMN [O-]c1cnc(Cl)cc1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001233034637 1127912180 /nfs/dbraw/zinc/91/21/80/1127912180.db2.gz OSFHPWZFXYVRMM-DGCLKSJQSA-N 0 1 280.799 3.595 20 0 CHADMN O=C(CC1CCCC1)Nc1cccc2c1CN(C1CC1)C2 ZINC000374833230 1127915281 /nfs/dbraw/zinc/91/52/81/1127915281.db2.gz CPNVGLWALSCCEZ-UHFFFAOYSA-N 0 1 284.403 3.683 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCc3nc(C)sc32)o1 ZINC000374850945 1127916741 /nfs/dbraw/zinc/91/67/41/1127916741.db2.gz CTXOMBJFUDUACA-GFCCVEGCSA-N 0 1 262.378 3.520 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCCN1CCc2ccsc2C1 ZINC000535575521 1127921201 /nfs/dbraw/zinc/92/12/01/1127921201.db2.gz HMNGRZWPQUNTDS-HIFRSBDPSA-N 0 1 279.449 3.702 20 0 CHADMN Cc1noc(CN[C@@H](CC2CCCCC2)C(C)(C)C)n1 ZINC000539493008 1127925536 /nfs/dbraw/zinc/92/55/36/1127925536.db2.gz FMCYRABDHXTTOU-AWEZNQCLSA-N 0 1 279.428 3.853 20 0 CHADMN C[C@@H](N[C@@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccsc1 ZINC000669828800 1127927295 /nfs/dbraw/zinc/92/72/95/1127927295.db2.gz RWTKBSGGXVVXNO-FQUUOJAGSA-N 0 1 294.464 3.577 20 0 CHADMN C[N@H+](Cc1ccccc1F)C[C@H](O)c1cccc(Cl)c1 ZINC000174655836 1127927994 /nfs/dbraw/zinc/92/79/94/1127927994.db2.gz SFNIPQIOLQSYCK-INIZCTEOSA-N 0 1 293.769 3.645 20 0 CHADMN CN(Cc1ccccc1F)C[C@H](O)c1cccc(Cl)c1 ZINC000174655836 1127927995 /nfs/dbraw/zinc/92/79/95/1127927995.db2.gz SFNIPQIOLQSYCK-INIZCTEOSA-N 0 1 293.769 3.645 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccsc1)C(=O)Nc1cccc(F)c1 ZINC000669829023 1127928391 /nfs/dbraw/zinc/92/83/91/1127928391.db2.gz XZSGIWLEDUTSDT-WDEREUQCSA-N 0 1 292.379 3.565 20 0 CHADMN C[C@H](N[C@@H](C)c1ccsc1)C(=O)Nc1cccc(F)c1 ZINC000669829022 1127928437 /nfs/dbraw/zinc/92/84/37/1127928437.db2.gz XZSGIWLEDUTSDT-QWRGUYRKSA-N 0 1 292.379 3.565 20 0 CHADMN Cc1ccc2ncc(CN[C@H](C)c3ccsc3)n2c1 ZINC000669831158 1127930061 /nfs/dbraw/zinc/93/00/61/1127930061.db2.gz TYDBIVGQLZNAIX-GFCCVEGCSA-N 0 1 271.389 3.555 20 0 CHADMN C[C@@H](NC[C@@](C)(O)C(F)F)c1ccc(Cl)cc1Cl ZINC000698706112 1127930258 /nfs/dbraw/zinc/93/02/58/1127930258.db2.gz ZXMXOGOEOAIJPJ-JMCQJSRRSA-N 0 1 298.160 3.660 20 0 CHADMN Cc1nc([C@H](C)Sc2ccc(Cl)cc2)n[nH]1 ZINC000412976046 1127934354 /nfs/dbraw/zinc/93/43/54/1127934354.db2.gz HATAVXUECSDDBX-ZETCQYMHSA-N 0 1 253.758 3.620 20 0 CHADMN Cc1nc([C@@H](C)Sc2ccccc2Cl)n[nH]1 ZINC000412982466 1127935093 /nfs/dbraw/zinc/93/50/93/1127935093.db2.gz YOKROCVFAFFBPI-SSDOTTSWSA-N 0 1 253.758 3.620 20 0 CHADMN FC1(F)CCC(CSc2nc(C3CC3)n[nH]2)CC1 ZINC000412987556 1127935708 /nfs/dbraw/zinc/93/57/08/1127935708.db2.gz JQPBIBUKLXWORI-UHFFFAOYSA-N 0 1 273.352 3.600 20 0 CHADMN FC1(F)CCC(CSc2n[nH]c(C3CC3)n2)CC1 ZINC000412987556 1127935710 /nfs/dbraw/zinc/93/57/10/1127935710.db2.gz JQPBIBUKLXWORI-UHFFFAOYSA-N 0 1 273.352 3.600 20 0 CHADMN Cc1nccc(N2CCC[C@H]2c2ccccn2)c1Cl ZINC000539771185 1127939041 /nfs/dbraw/zinc/93/90/41/1127939041.db2.gz NXCDUMHCORHBNY-ZDUSSCGKSA-N 0 1 273.767 3.780 20 0 CHADMN Fc1cccc(C2CCN(Cc3ccc(F)nc3)CC2)c1 ZINC000375289136 1127939651 /nfs/dbraw/zinc/93/96/51/1127939651.db2.gz WOHPHEVIOZMDGG-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN CCCCN1CCC([N@H+](C)Cc2ccc([S-])cc2)CC1 ZINC001233262718 1127941818 /nfs/dbraw/zinc/94/18/18/1127941818.db2.gz RTKRHYFZNLKFCK-UHFFFAOYSA-N 0 1 292.492 3.672 20 0 CHADMN CCCCN1CCC([N@@H+](C)Cc2ccc([S-])cc2)CC1 ZINC001233262718 1127941822 /nfs/dbraw/zinc/94/18/22/1127941822.db2.gz RTKRHYFZNLKFCK-UHFFFAOYSA-N 0 1 292.492 3.672 20 0 CHADMN Cc1n[nH]cc1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000375348157 1127942018 /nfs/dbraw/zinc/94/20/18/1127942018.db2.gz HKKWTSGUNBMUJQ-UHFFFAOYSA-N 0 1 289.810 3.751 20 0 CHADMN Cc1oc2ccccc2c1CN1CCOC2(CCCC2)C1 ZINC000539817723 1127942153 /nfs/dbraw/zinc/94/21/53/1127942153.db2.gz NNHPMSHXARDCQG-UHFFFAOYSA-N 0 1 285.387 3.886 20 0 CHADMN C/C(=C\c1ccccc1)CN1CCOC2(CCCC2)C1 ZINC000539816845 1127942278 /nfs/dbraw/zinc/94/22/78/1127942278.db2.gz HJASYEXCCPWYPO-DTQAZKPQSA-N 0 1 271.404 3.735 20 0 CHADMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1nc2ccccc2n1CC ZINC000539829202 1127945116 /nfs/dbraw/zinc/94/51/16/1127945116.db2.gz LCIKPXDTHMXQFR-UONOGXRCSA-N 0 1 271.408 3.677 20 0 CHADMN Cc1cccc(CN(C)Cc2cc(Cl)cn2C)c1C ZINC000539912250 1127954369 /nfs/dbraw/zinc/95/43/69/1127954369.db2.gz XYJONKQUWDGMFX-UHFFFAOYSA-N 0 1 276.811 3.927 20 0 CHADMN Cc1ccc(C)c(NCc2ccc3nc[nH]c3c2)c1 ZINC000539927106 1127954516 /nfs/dbraw/zinc/95/45/16/1127954516.db2.gz KLWCBHAHAMYIMW-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN COCC[C@H]1CCCCN(Cc2ncc(C(C)(C)C)o2)C1 ZINC000467276222 1127961557 /nfs/dbraw/zinc/96/15/57/1127961557.db2.gz ZCCJXSCCZARSMX-CQSZACIVSA-N 0 1 294.439 3.611 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](CO)c2cccc(F)c2)cc1 ZINC000540189742 1127967575 /nfs/dbraw/zinc/96/75/75/1127967575.db2.gz QZMPXWCIYWYXDF-CXAGYDPISA-N 0 1 273.351 3.518 20 0 CHADMN Cn1nccc1[C@@H]1CCCCN1C/C=C\c1ccc(F)cc1 ZINC000467538648 1127972700 /nfs/dbraw/zinc/97/27/00/1127972700.db2.gz XOHXONBCLDWHQT-XDXAGZTOSA-N 0 1 299.393 3.800 20 0 CHADMN Cc1ccc(C)c([C@H](C)N[C@@H](CO)c2cccc(F)c2)c1 ZINC000540184908 1127968254 /nfs/dbraw/zinc/96/82/54/1127968254.db2.gz WDOGBRORSAZICU-KSSFIOAISA-N 0 1 287.378 3.827 20 0 CHADMN CCc1ccc(-c2noc([C@@H](C)NC3CCCC3)n2)cc1 ZINC000544518392 1127975645 /nfs/dbraw/zinc/97/56/45/1127975645.db2.gz XIKBSJFGLSHTIN-GFCCVEGCSA-N 0 1 285.391 3.892 20 0 CHADMN CCC[C@@H](C)CN1CCO[C@H](c2cccc(OC)c2)C1 ZINC000540497556 1127981529 /nfs/dbraw/zinc/98/15/29/1127981529.db2.gz WBESGGLYHYBJBQ-PBHICJAKSA-N 0 1 277.408 3.505 20 0 CHADMN CC(C)COc1cccc(CN(C)Cc2ccco2)c1 ZINC000540507844 1127981539 /nfs/dbraw/zinc/98/15/39/1127981539.db2.gz PXEWWAARJZHQLL-UHFFFAOYSA-N 0 1 273.376 3.946 20 0 CHADMN CCCCCOc1ccc(CNCc2conc2C)cc1 ZINC000398036299 1127983094 /nfs/dbraw/zinc/98/30/94/1127983094.db2.gz TYVZKUBSHSCRKL-UHFFFAOYSA-N 0 1 288.391 3.842 20 0 CHADMN CCC(C)(C)OCCN[C@H](C)c1cc(F)ccc1F ZINC000308760131 1127984528 /nfs/dbraw/zinc/98/45/28/1127984528.db2.gz XNIGKKIKRYERQK-LLVKDONJSA-N 0 1 271.351 3.821 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2c(C)cccc2C)o1 ZINC000544842538 1127986033 /nfs/dbraw/zinc/98/60/33/1127986033.db2.gz FGLUXVINRCUUQS-AWEZNQCLSA-N 0 1 273.376 3.894 20 0 CHADMN CC[C@@H](C)[C@@H](NCc1ccn(C)n1)c1ccc(Cl)cc1 ZINC000540629418 1127987577 /nfs/dbraw/zinc/98/75/77/1127987577.db2.gz FNBBBUFKAMFILT-MLGOLLRUSA-N 0 1 291.826 3.951 20 0 CHADMN Cc1cc(-c2noc(CCC(C)(C)C)n2)cc2nc[nH]c21 ZINC000544987909 1127994558 /nfs/dbraw/zinc/99/45/58/1127994558.db2.gz HADCZFLDVMQDCV-UHFFFAOYSA-N 0 1 284.363 3.900 20 0 CHADMN Cc1cc(-c2nc(-c3ccc4[nH]cnc4c3)no2)ccc1F ZINC000545031353 1127997543 /nfs/dbraw/zinc/99/75/43/1127997543.db2.gz YEASVMHHAJGVJM-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN COc1cc(C)c(CN(Cc2ccccn2)C(C)C)c(C)n1 ZINC000540997081 1128005143 /nfs/dbraw/zinc/00/51/43/1128005143.db2.gz VZVUVXBDNILSPP-UHFFFAOYSA-N 0 1 299.418 3.513 20 0 CHADMN Clc1ccc2nc(SCC[C@@H]3CCCO3)[nH]c2c1 ZINC000468440968 1128008519 /nfs/dbraw/zinc/00/85/19/1128008519.db2.gz ZDFCGBHCNUTHBM-JTQLQIEISA-N 0 1 282.796 3.878 20 0 CHADMN C[C@H](C[C@H](C)O)Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000541192091 1128010181 /nfs/dbraw/zinc/01/01/81/1128010181.db2.gz YONLYFXDZQJRMK-ZJUUUORDSA-N 0 1 298.308 3.825 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1Cc1cccc(O)c1OC ZINC000468681919 1128015887 /nfs/dbraw/zinc/01/58/87/1128015887.db2.gz AIQZZBZZHLRWCR-QGZVFWFLSA-N 0 1 297.398 3.738 20 0 CHADMN C[C@H]1CN(Cc2ccn(C3CCCC3)n2)CC(C)(C)C1 ZINC000541323480 1128018150 /nfs/dbraw/zinc/01/81/50/1128018150.db2.gz DHMHDCQWNLXOCW-CQSZACIVSA-N 0 1 275.440 3.866 20 0 CHADMN CCN(CCC1CC1)CC(=O)Nc1c(C)cccc1Cl ZINC000545517910 1128018844 /nfs/dbraw/zinc/01/88/44/1128018844.db2.gz GPKLSPSWGSPATB-UHFFFAOYSA-N 0 1 294.826 3.709 20 0 CHADMN C[C@@]1(NCc2c(F)cccc2Cl)CCO[C@H]1C1CC1 ZINC000541378274 1128021520 /nfs/dbraw/zinc/02/15/20/1128021520.db2.gz OKKGJOBGAYHTBY-LSDHHAIUSA-N 0 1 283.774 3.526 20 0 CHADMN C[C@@H]1CN(C/C=C\c2ccc(F)cc2F)C[C@H](C)S1 ZINC000541772864 1128038723 /nfs/dbraw/zinc/03/87/23/1128038723.db2.gz LCMQXLGWLJSBSN-XVGAQQEPSA-N 0 1 283.387 3.804 20 0 CHADMN COc1ccc(C)cc1C[N@H+]1CCc2c(cccc2OC)C1 ZINC000542018240 1128047649 /nfs/dbraw/zinc/04/76/49/1128047649.db2.gz UNYUOCUPIHDYEP-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN COc1ccc(C)cc1CN1CCc2c(cccc2OC)C1 ZINC000542018240 1128047654 /nfs/dbraw/zinc/04/76/54/1128047654.db2.gz UNYUOCUPIHDYEP-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN CCc1cccc(CN2CC=C(C(F)(F)F)CC2)c1 ZINC000469719831 1128050758 /nfs/dbraw/zinc/05/07/58/1128050758.db2.gz BGVXZYZMMJHNMX-UHFFFAOYSA-N 0 1 269.310 3.943 20 0 CHADMN Clc1cc2c(c(C[N@H+]3CC[C@H](C4CC4)C3)c1)OCC2 ZINC000542157105 1128052994 /nfs/dbraw/zinc/05/29/94/1128052994.db2.gz SLSJHYWYWJQQQZ-ZDUSSCGKSA-N 0 1 277.795 3.507 20 0 CHADMN CCn1cnc(Cl)c1CN1CC[C@@H]2CCCC[C@H]2C1 ZINC001205082653 1128057517 /nfs/dbraw/zinc/05/75/17/1128057517.db2.gz OTBJUHGWYPBUQW-STQMWFEESA-N 0 1 281.831 3.569 20 0 CHADMN Cc1nc(C2(NC[C@@H]3CCCC[C@H]3C)CCCCC2)no1 ZINC000542248215 1128058575 /nfs/dbraw/zinc/05/85/75/1128058575.db2.gz ZWBFYWSSLNIMNP-HIFRSBDPSA-N 0 1 291.439 3.953 20 0 CHADMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000542321074 1128063555 /nfs/dbraw/zinc/06/35/55/1128063555.db2.gz YRKUNKZAMGATDN-GFCCVEGCSA-N 0 1 291.826 3.856 20 0 CHADMN Cc1nc(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)cs1 ZINC000542321749 1128064135 /nfs/dbraw/zinc/06/41/35/1128064135.db2.gz BORINQNDBAEXRT-OAHLLOKOSA-N 0 1 272.417 3.749 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccc(C)cc3)C2)cs1 ZINC000542321749 1128064140 /nfs/dbraw/zinc/06/41/40/1128064140.db2.gz BORINQNDBAEXRT-OAHLLOKOSA-N 0 1 272.417 3.749 20 0 CHADMN CCN(C(=O)CN[C@H](C)c1ccsc1)C1CCCCC1 ZINC000669937095 1128075940 /nfs/dbraw/zinc/07/59/40/1128075940.db2.gz HANNQLBEHNVZNX-CYBMUJFWSA-N 0 1 294.464 3.580 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cc(C)[nH]n1 ZINC000172873412 1128078425 /nfs/dbraw/zinc/07/84/25/1128078425.db2.gz QHORWMUWJCOMPS-MRXNPFEDSA-N 0 1 299.418 3.510 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCC(=O)c1ccccc1 ZINC000470939248 1128082483 /nfs/dbraw/zinc/08/24/83/1128082483.db2.gz DBJQQJARFQKJRF-YPMHNXCESA-N 0 1 285.309 3.532 20 0 CHADMN CCCc1noc(CN(C(C)C)C2CCCCC2)n1 ZINC000173280512 1128086209 /nfs/dbraw/zinc/08/62/09/1128086209.db2.gz GINQXQRJIHKNEH-UHFFFAOYSA-N 0 1 265.401 3.565 20 0 CHADMN Cc1cc(-c2noc(C3(C)CC=CC3)n2)cc2nc[nH]c21 ZINC000923902646 1128087333 /nfs/dbraw/zinc/08/73/33/1128087333.db2.gz LKZWCUVQOZLOLK-UHFFFAOYSA-N 0 1 280.331 3.529 20 0 CHADMN CC(C)c1ccoc1-c1noc([C@@H]2CCCN2C(C)C)n1 ZINC000924079250 1128089938 /nfs/dbraw/zinc/08/99/38/1128089938.db2.gz ROVAHWSHQNLEAS-ZDUSSCGKSA-N 0 1 289.379 3.998 20 0 CHADMN C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H](CO)C1 ZINC000304679330 1128090467 /nfs/dbraw/zinc/09/04/67/1128090467.db2.gz DQPDHSIVIGXGRP-MNOVXSKESA-N 0 1 288.218 3.759 20 0 CHADMN CCCO[C@H]1CCCN(Cc2ccncc2Cl)CC1 ZINC000173718108 1128092221 /nfs/dbraw/zinc/09/22/21/1128092221.db2.gz MLVNINXJRGANSN-AWEZNQCLSA-N 0 1 282.815 3.516 20 0 CHADMN COC1(OC)CC[C@@H]1NC(c1ccccc1)c1ccccc1 ZINC000924528711 1128101783 /nfs/dbraw/zinc/10/17/83/1128101783.db2.gz QCKCDKGDXQCCPJ-KRWDZBQOSA-N 0 1 297.398 3.517 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1C[C@H](C)CC[C@H]1C ZINC000174470612 1128102727 /nfs/dbraw/zinc/10/27/27/1128102727.db2.gz SDXZHXYDDIYHTR-HUUCEWRRSA-N 0 1 288.435 3.869 20 0 CHADMN C[C@@H](N[C@H](C)c1ccnnc1)c1ccc(Cl)cc1 ZINC000924543752 1128103535 /nfs/dbraw/zinc/10/35/35/1128103535.db2.gz RRJZRPDQHGLSJF-GHMZBOCLSA-N 0 1 261.756 3.542 20 0 CHADMN CCOCc1ccc(CN[C@@H](C)c2ccns2)cc1 ZINC000924637813 1128108014 /nfs/dbraw/zinc/10/80/14/1128108014.db2.gz DVXVNPUUWPUAKN-LBPRGKRZSA-N 0 1 276.405 3.530 20 0 CHADMN COc1ccnc([C@@H](C)N[C@@H](C)c2ccccc2)c1 ZINC000924543582 1128103746 /nfs/dbraw/zinc/10/37/46/1128103746.db2.gz TXZRZBYXSCCKHD-QWHCGFSZSA-N 0 1 256.349 3.502 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccs1)c1cn2c(n1)CCCC2 ZINC000924549277 1128104616 /nfs/dbraw/zinc/10/46/16/1128104616.db2.gz SNUUNZQVRFIXOO-NEPJUHHUSA-N 0 1 275.421 3.693 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)C2(Br)CC2)o1 ZINC000924563335 1128105415 /nfs/dbraw/zinc/10/54/15/1128105415.db2.gz ICCYMIPTTJPXNF-VHSXEESVSA-N 0 1 272.186 3.555 20 0 CHADMN C[C@@H](N[C@H]1CCOc2ccccc21)c1cccc2c1OCO2 ZINC000924564364 1128105622 /nfs/dbraw/zinc/10/56/22/1128105622.db2.gz QCWVGVYSIHAORU-DOMZBBRYSA-N 0 1 297.354 3.590 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cc(O)cc(F)c2)cc1F ZINC000924589803 1128106464 /nfs/dbraw/zinc/10/64/64/1128106464.db2.gz LNOHXNGMUOLZHU-NSHDSACASA-N 0 1 277.314 3.830 20 0 CHADMN CC[C@H](NCc1ccc(C)s1)c1cccc(OC)n1 ZINC000924699186 1128109648 /nfs/dbraw/zinc/10/96/48/1128109648.db2.gz IMABCCJSWHHZKL-ZDUSSCGKSA-N 0 1 276.405 3.701 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2ccnn2C2CCC2)c1 ZINC000924688392 1128109664 /nfs/dbraw/zinc/10/96/64/1128109664.db2.gz AKGBXTZWXXEAAU-CQSZACIVSA-N 0 1 299.418 3.858 20 0 CHADMN Brc1ccc2c(c1)CN(CC1CCC1)CC2 ZINC000222216436 1128111094 /nfs/dbraw/zinc/11/10/94/1128111094.db2.gz RWJWCLDKWINAHP-UHFFFAOYSA-N 0 1 280.209 3.607 20 0 CHADMN CCOc1ccccc1CN[C@@H](C)c1ccnn1C1CCC1 ZINC000924741371 1128111746 /nfs/dbraw/zinc/11/17/46/1128111746.db2.gz OAENBLBMXTVVMU-AWEZNQCLSA-N 0 1 299.418 3.858 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cn3c(n2)CCCC3)cc1 ZINC000924858808 1128115291 /nfs/dbraw/zinc/11/52/91/1128115291.db2.gz QYGQYHBVQVDXIC-KBPBESRZSA-N 0 1 299.418 3.640 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)c1cccnc1)C1(Cl)CC1 ZINC000924936201 1128116814 /nfs/dbraw/zinc/11/68/14/1128116814.db2.gz FDGVUWOASLJVHB-CJNGLKHVSA-N 0 1 286.806 3.921 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)c1cccnc1)C1(Cl)CC1 ZINC000924936202 1128116899 /nfs/dbraw/zinc/11/68/99/1128116899.db2.gz FDGVUWOASLJVHB-CZUORRHYSA-N 0 1 286.806 3.921 20 0 CHADMN CN(Cc1ccc(Cl)nc1)Cc1ccccc1CF ZINC000929789756 1128117779 /nfs/dbraw/zinc/11/77/79/1128117779.db2.gz YRYULVKSCKXSNB-UHFFFAOYSA-N 0 1 278.758 3.837 20 0 CHADMN C[C@H](N[C@H]1CCc2c1cccc2O)c1ccnn1C1CCC1 ZINC000924966765 1128117862 /nfs/dbraw/zinc/11/78/62/1128117862.db2.gz GNQXGBFRLOMHKX-LRDDRELGSA-N 0 1 297.402 3.652 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cccc2O)c1ccnn1C1CCC1 ZINC000924966764 1128117903 /nfs/dbraw/zinc/11/79/03/1128117903.db2.gz GNQXGBFRLOMHKX-BLLLJJGKSA-N 0 1 297.402 3.652 20 0 CHADMN C[C@H](N[C@H]1CCc2c1cccc2O)c1cnn(C2CCC2)c1 ZINC000924968515 1128117926 /nfs/dbraw/zinc/11/79/26/1128117926.db2.gz ZUFXOOGNDBCSRH-SJCJKPOMSA-N 0 1 297.402 3.652 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc[nH]c(=O)c1)c1nc2ccccc2s1 ZINC000925074366 1128121135 /nfs/dbraw/zinc/12/11/35/1128121135.db2.gz VXESLHKEALLMMS-WDEREUQCSA-N 0 1 299.399 3.809 20 0 CHADMN CC(C)COc1ccc([C@H](C)N[C@H](C)c2ccnnc2)cc1 ZINC000925266384 1128126748 /nfs/dbraw/zinc/12/67/48/1128126748.db2.gz YJQWSDVCBXIQJY-LSDHHAIUSA-N 0 1 299.418 3.923 20 0 CHADMN COc1cc(C)ccc1CN[C@H](C)c1cnn(C2CCC2)c1 ZINC000925259712 1128127040 /nfs/dbraw/zinc/12/70/40/1128127040.db2.gz LEPFRUJQFFSWOI-CQSZACIVSA-N 0 1 299.418 3.776 20 0 CHADMN C[C@@H](NCCCc1cccc(Cl)c1)c1ncco1 ZINC000925354842 1128127883 /nfs/dbraw/zinc/12/78/83/1128127883.db2.gz QCGVYPGMUKRREU-LLVKDONJSA-N 0 1 264.756 3.611 20 0 CHADMN CC[C@@H](C)[C@H](C)[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC001168448342 1128128547 /nfs/dbraw/zinc/12/85/47/1128128547.db2.gz OCQAGHFOFGXTKH-CABCVRRESA-N 0 1 283.419 3.665 20 0 CHADMN CC[C@@H](C)[C@H](C)N1CCc2c(ncn2-c2ccccc2)C1 ZINC001168448342 1128128550 /nfs/dbraw/zinc/12/85/50/1128128550.db2.gz OCQAGHFOFGXTKH-CABCVRRESA-N 0 1 283.419 3.665 20 0 CHADMN COc1ccc2c(c1)CN(Cc1ccc(CF)cc1)CC2 ZINC000777559618 1128128874 /nfs/dbraw/zinc/12/88/74/1128128874.db2.gz HWPLQFBMMHWOQG-UHFFFAOYSA-N 0 1 285.362 3.723 20 0 CHADMN COc1ccccc1[C@@H](NCCC1CC1)c1ccccn1 ZINC000925479817 1128130629 /nfs/dbraw/zinc/13/06/29/1128130629.db2.gz KFJBNJBSENVMPK-GOSISDBHSA-N 0 1 282.387 3.569 20 0 CHADMN C[C@H](N[C@H]1CCCc2c[nH]nc21)c1cc2ccccc2[nH]1 ZINC000925549877 1128132035 /nfs/dbraw/zinc/13/20/35/1128132035.db2.gz JPLWPEULPADOQG-NHYWBVRUSA-N 0 1 280.375 3.619 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CCCC(F)(F)C1 ZINC000925565052 1128132501 /nfs/dbraw/zinc/13/25/01/1128132501.db2.gz XSRLBICILYKLSN-MNOVXSKESA-N 0 1 270.323 3.528 20 0 CHADMN COc1cc([C@@H](C)N[C@H]2CC(C)(C)c3ccccc32)on1 ZINC000925574074 1128132975 /nfs/dbraw/zinc/13/29/75/1128132975.db2.gz YEGJSNNPYFAXTB-RISCZKNCSA-N 0 1 286.375 3.756 20 0 CHADMN CCN(c1ccc(N[C@H](C)c2nonc2C)cc1)C(C)C ZINC000925731313 1128139230 /nfs/dbraw/zinc/13/92/30/1128139230.db2.gz AILPGVODZYEPEM-GFCCVEGCSA-N 0 1 288.395 3.786 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@H](C)c1cc(O)cc(F)c1 ZINC000925686292 1128136986 /nfs/dbraw/zinc/13/69/86/1128136986.db2.gz STSIZUVQEYCQTN-NEPJUHHUSA-N 0 1 288.366 3.901 20 0 CHADMN Cc1ccc([C@H](NCc2cc(N)cc[nH+]2)C2CCCC2)cc1 ZINC000925766122 1128140799 /nfs/dbraw/zinc/14/07/99/1128140799.db2.gz HRXYKDGDUNCUGY-LJQANCHMSA-N 0 1 295.430 3.993 20 0 CHADMN C[C@@H](NCc1ccc(OC(C)(C)C)cc1)c1ccnnc1 ZINC000925779990 1128142392 /nfs/dbraw/zinc/14/23/92/1128142392.db2.gz CWVVURGVSQKRLQ-CYBMUJFWSA-N 0 1 285.391 3.505 20 0 CHADMN CCCc1csc(CNC[C@H](C)Oc2ccccc2)n1 ZINC000494019892 1128154286 /nfs/dbraw/zinc/15/42/86/1128154286.db2.gz WOMYWTCPTIDHMY-ZDUSSCGKSA-N 0 1 290.432 3.653 20 0 CHADMN C[C@H](N[C@@H](C)c1cncc(F)c1)c1ccnn1C1CCC1 ZINC000926126346 1128156207 /nfs/dbraw/zinc/15/62/07/1128156207.db2.gz CEBNYNGMGNDPRE-RYUDHWBXSA-N 0 1 288.370 3.554 20 0 CHADMN Cc1csc([C@@H](C)CN[C@H]2CCCc3oc(C)nc32)n1 ZINC000926151773 1128157520 /nfs/dbraw/zinc/15/75/20/1128157520.db2.gz WJRAETMHPDHWEX-CABZTGNLSA-N 0 1 291.420 3.519 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@@H]1CCCc2oc(C)nc21 ZINC000926175534 1128158059 /nfs/dbraw/zinc/15/80/59/1128158059.db2.gz QWWCBSGPUOLBAE-VHSXEESVSA-N 0 1 276.302 3.681 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@@H](C)c1cn2c(n1)CCCC2 ZINC000926173783 1128158081 /nfs/dbraw/zinc/15/80/81/1128158081.db2.gz YGBDMCXQCOCTDX-WDEREUQCSA-N 0 1 289.345 3.601 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@H]1CCCc2oc(C)nc21 ZINC000926175531 1128158356 /nfs/dbraw/zinc/15/83/56/1128158356.db2.gz QWWCBSGPUOLBAE-UWVGGRQHSA-N 0 1 276.302 3.681 20 0 CHADMN CCC1CCN(CC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000053376349 1128196879 /nfs/dbraw/zinc/19/68/79/1128196879.db2.gz ZSRKNAXDOVPQAN-UHFFFAOYSA-N 0 1 288.435 3.672 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2NC1(Cc2ccccc2)CC1 ZINC000926204996 1128160555 /nfs/dbraw/zinc/16/05/55/1128160555.db2.gz DRNFQLZFFYIYOL-OAHLLOKOSA-N 0 1 282.387 3.725 20 0 CHADMN CCOC(C)(C)CN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000926231450 1128162002 /nfs/dbraw/zinc/16/20/02/1128162002.db2.gz FUOJDGPMMBDRJH-GOSISDBHSA-N 0 1 298.430 3.884 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](N[C@H](C)c1cn(C)cn1)CC2 ZINC000926227947 1128162043 /nfs/dbraw/zinc/16/20/43/1128162043.db2.gz WZIFASBDRHDISD-CXAGYDPISA-N 0 1 283.419 3.882 20 0 CHADMN CCCNc1ccc(CN[C@@H](C)c2ccns2)cc1 ZINC000926287847 1128165119 /nfs/dbraw/zinc/16/51/19/1128165119.db2.gz LCSBUVBHZBGLLJ-LBPRGKRZSA-N 0 1 275.421 3.816 20 0 CHADMN C[C@@H](NCc1ccc(C2CCC2)cc1)c1ccnnc1 ZINC000926280108 1128165177 /nfs/dbraw/zinc/16/51/77/1128165177.db2.gz ZWPVAPLAUUSXBM-CYBMUJFWSA-N 0 1 267.376 3.595 20 0 CHADMN CCCNc1ccc(CN[C@@H](C)c2c(C)noc2C)cc1 ZINC000926287534 1128165229 /nfs/dbraw/zinc/16/52/29/1128165229.db2.gz FQKZITKUJBMCQK-LBPRGKRZSA-N 0 1 287.407 3.964 20 0 CHADMN Cc1nonc1[C@H](C)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000926335002 1128166963 /nfs/dbraw/zinc/16/69/63/1128166963.db2.gz WMOCTFDISNRQBN-ZBINZKHDSA-N 0 1 289.354 3.504 20 0 CHADMN C[C@H](N[C@@H]1CC[C@H](c2cccc(F)c2)C1)c1ncco1 ZINC000926340502 1128167975 /nfs/dbraw/zinc/16/79/75/1128167975.db2.gz JJWZYUCRKCSEMS-CORIIIEPSA-N 0 1 274.339 3.801 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1cnoc1C ZINC000494262804 1128168261 /nfs/dbraw/zinc/16/82/61/1128168261.db2.gz RSVFYTHUOSUYPF-LCYFTJDESA-N 0 1 256.349 3.518 20 0 CHADMN COc1cccc(C[N@@H+](C)C/C(C)=C\c2ccccc2)n1 ZINC000494292566 1128169099 /nfs/dbraw/zinc/16/90/99/1128169099.db2.gz HDIMNYONPCOLKZ-QINSGFPZSA-N 0 1 282.387 3.626 20 0 CHADMN COc1cccc(CN(C)C/C(C)=C\c2ccccc2)n1 ZINC000494292566 1128169101 /nfs/dbraw/zinc/16/91/01/1128169101.db2.gz HDIMNYONPCOLKZ-QINSGFPZSA-N 0 1 282.387 3.626 20 0 CHADMN COC(=O)c1coc(C[N@@H+](C)C/C(C)=C/c2ccccc2)c1 ZINC000494268370 1128169234 /nfs/dbraw/zinc/16/92/34/1128169234.db2.gz ODPGAHVFAOFRRO-NTEUORMPSA-N 0 1 299.370 3.602 20 0 CHADMN COC(=O)c1coc(CN(C)C/C(C)=C/c2ccccc2)c1 ZINC000494268370 1128169235 /nfs/dbraw/zinc/16/92/35/1128169235.db2.gz ODPGAHVFAOFRRO-NTEUORMPSA-N 0 1 299.370 3.602 20 0 CHADMN COc1ccnc([C@@H](C)N[C@H](C)c2ccsc2)c1 ZINC000926369061 1128170004 /nfs/dbraw/zinc/17/00/04/1128170004.db2.gz ITONANXANFHTFK-GHMZBOCLSA-N 0 1 262.378 3.564 20 0 CHADMN CCC(CC)n1ccc(CN[C@H](CC)[C@H]2CCCCO2)n1 ZINC000653874221 1128170515 /nfs/dbraw/zinc/17/05/15/1128170515.db2.gz COOWTQKHCZNHIP-IAGOWNOFSA-N 0 1 293.455 3.682 20 0 CHADMN CCCc1csc(CNCCO[C@@H]2CCCC[C@H]2C)n1 ZINC000494368049 1128170890 /nfs/dbraw/zinc/17/08/90/1128170890.db2.gz KEWSSHHYAORBPR-UKRRQHHQSA-N 0 1 296.480 3.781 20 0 CHADMN FC1(F)CCC[C@@H]1N[C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000926428503 1128172038 /nfs/dbraw/zinc/17/20/38/1128172038.db2.gz KYXOZQYLBQOFFO-SNPRPXQTSA-N 0 1 280.362 3.570 20 0 CHADMN COc1cc([C@@H](C)N[C@H]2CCCc3ccc(C)cc32)on1 ZINC000926436216 1128172206 /nfs/dbraw/zinc/17/22/06/1128172206.db2.gz QGECOKYCXYEBOD-DOMZBBRYSA-N 0 1 286.375 3.720 20 0 CHADMN CCc1noc(C)c1CN[C@H]1CCc2cccc(C)c21 ZINC000926482702 1128174649 /nfs/dbraw/zinc/17/46/49/1128174649.db2.gz PNNZDYRRBWBDCU-INIZCTEOSA-N 0 1 270.376 3.631 20 0 CHADMN Cc1nonc1[C@H](C)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000926495131 1128175653 /nfs/dbraw/zinc/17/56/53/1128175653.db2.gz LEDIMRGIRPZRTC-DLOVCJGASA-N 0 1 291.782 3.628 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc(C2CC2)c1)c1cn(C)cn1 ZINC000926493995 1128175687 /nfs/dbraw/zinc/17/56/87/1128175687.db2.gz XMUKPXAOFSTAML-STQMWFEESA-N 0 1 269.392 3.709 20 0 CHADMN COc1c(O)cccc1CN[C@]1(C)CCCc2ccccc21 ZINC000494584648 1128178929 /nfs/dbraw/zinc/17/89/29/1128178929.db2.gz HZAGJRGLNUEQDH-LJQANCHMSA-N 0 1 297.398 3.742 20 0 CHADMN C[C@H](N[C@@H]1CCCN(C)c2ccccc21)c1ccns1 ZINC000926542969 1128180075 /nfs/dbraw/zinc/18/00/75/1128180075.db2.gz ZUWBXAUEVRTOJU-GXTWGEPZSA-N 0 1 287.432 3.765 20 0 CHADMN CCC[C@H](NC[C@H]1CC[C@@H](C)O1)c1ncccc1Cl ZINC000926560714 1128180815 /nfs/dbraw/zinc/18/08/15/1128180815.db2.gz VSHSQRLNJFDDDH-BZPMIXESSA-N 0 1 282.815 3.733 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccccn2)C2CCC2)nc1C ZINC000926570162 1128181270 /nfs/dbraw/zinc/18/12/70/1128181270.db2.gz VQKZNDOPSZACGQ-GOSISDBHSA-N 0 1 281.403 3.724 20 0 CHADMN C/C=C/CN[C@H](C)c1ccccc1Br ZINC000223894809 1128181399 /nfs/dbraw/zinc/18/13/99/1128181399.db2.gz YYYBELAASZJGBB-HMDXOVGESA-N 0 1 254.171 3.676 20 0 CHADMN c1ccc([C@H](N[C@H]2COCc3ccccc32)C2CCC2)nc1 ZINC000926602287 1128183309 /nfs/dbraw/zinc/18/33/09/1128183309.db2.gz YDXCPBYRPHAMPU-RBUKOAKNSA-N 0 1 294.398 3.784 20 0 CHADMN Cc1ccsc1[C@H](CO)NCc1ccccc1Cl ZINC000494625909 1128183843 /nfs/dbraw/zinc/18/38/43/1128183843.db2.gz MLMBYMWOIFULFS-ZDUSSCGKSA-N 0 1 281.808 3.533 20 0 CHADMN Clc1cccc([C@@H](N[C@H]2CC23CC3)c2ccccn2)c1 ZINC000926613270 1128184043 /nfs/dbraw/zinc/18/40/43/1128184043.db2.gz CPUYTHIQSYUCTP-JKSUJKDBSA-N 0 1 284.790 3.967 20 0 CHADMN O[C@@H]1C[C@@H](N[C@H](c2ccccn2)C2CCC2)c2ccccc21 ZINC000926699718 1128188360 /nfs/dbraw/zinc/18/83/60/1128188360.db2.gz LFVRNDXXFQGMMP-QRVBRYPASA-N 0 1 294.398 3.691 20 0 CHADMN C[C@H](N[C@H]1COC2(CCC2)C1)c1cc(-c2ccccc2)no1 ZINC000926696066 1128188365 /nfs/dbraw/zinc/18/83/65/1128188365.db2.gz GMWGLWJMOBMUCA-DZGCQCFKSA-N 0 1 298.386 3.704 20 0 CHADMN C[C@H](N[C@H]1CCc2ccc(O)cc21)c1ccnn1C1CCC1 ZINC000926708226 1128188935 /nfs/dbraw/zinc/18/89/35/1128188935.db2.gz ARRQJXJQJIDMDR-SJCJKPOMSA-N 0 1 297.402 3.652 20 0 CHADMN CC[C@@H](N[C@H]1CCc2ccc(O)cc21)c1cccc(OC)n1 ZINC000926709030 1128188946 /nfs/dbraw/zinc/18/89/46/1128188946.db2.gz WOADTOWAEQIPGO-CVEARBPZSA-N 0 1 298.386 3.524 20 0 CHADMN COc1cccc(CN[C@H](C)c2cc(O)cc(F)c2)c1C ZINC000926732705 1128190653 /nfs/dbraw/zinc/19/06/53/1128190653.db2.gz IQYVWSWHFWJBKY-GFCCVEGCSA-N 0 1 289.350 3.699 20 0 CHADMN CCC(F)(F)C(C)(C)CN[C@H](C)c1cn(C(C)C)nn1 ZINC000926755828 1128192045 /nfs/dbraw/zinc/19/20/45/1128192045.db2.gz ATMJFSWECYUGKT-LLVKDONJSA-N 0 1 288.386 3.581 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2NCC(C)(C)c1ccc(C)cn1 ZINC000926755696 1128192108 /nfs/dbraw/zinc/19/21/08/1128192108.db2.gz ZLIDCQKUQBXKCN-CQSZACIVSA-N 0 1 299.418 3.631 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cnn(C(C)C)c1 ZINC000226239435 1128192336 /nfs/dbraw/zinc/19/23/36/1128192336.db2.gz YIGJHUDXUMIAQF-CQSZACIVSA-N 0 1 287.407 3.632 20 0 CHADMN CCC[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1ncccc1Cl ZINC000926768733 1128193048 /nfs/dbraw/zinc/19/30/48/1128193048.db2.gz WOSHFXPGEAKNAV-AEGPPILISA-N 0 1 294.826 3.733 20 0 CHADMN Cc1scc(CN[C@@H](C)c2cccc3c2OCO3)c1C ZINC000926780892 1128194222 /nfs/dbraw/zinc/19/42/22/1128194222.db2.gz BNHFQMQELMZXIK-NSHDSACASA-N 0 1 289.400 3.944 20 0 CHADMN CCC(CC)(CN[C@@H](C)c1cc(OC)no1)C(F)(F)F ZINC000926794385 1128195125 /nfs/dbraw/zinc/19/51/25/1128195125.db2.gz IPUQZJYVTWYSES-VIFPVBQESA-N 0 1 294.317 3.703 20 0 CHADMN C[C@H](NCc1cccc2[nH]ccc21)c1cn2c(n1)CCCC2 ZINC000926812185 1128196088 /nfs/dbraw/zinc/19/60/88/1128196088.db2.gz HMVSCBXUQUMOMI-ZDUSSCGKSA-N 0 1 294.402 3.552 20 0 CHADMN Cc1cc(CN(Cc2ccco2)C2CCCC2)c(C)nn1 ZINC000929285700 1128268344 /nfs/dbraw/zinc/26/83/44/1128268344.db2.gz OAMPGMCYRTVNEN-UHFFFAOYSA-N 0 1 285.391 3.631 20 0 CHADMN C[C@@H](Nc1ccc(CN(C)C)c(F)c1)C1CCCC1 ZINC000777702216 1128247011 /nfs/dbraw/zinc/24/70/11/1128247011.db2.gz RESJOOUKBBWLTA-GFCCVEGCSA-N 0 1 264.388 3.878 20 0 CHADMN Cc1nc([C@@H](C)Nc2ccc(CN(C)C)c(F)c2)cs1 ZINC000777701275 1128247079 /nfs/dbraw/zinc/24/70/79/1128247079.db2.gz LBDIGKPTMHOGMV-SNVBAGLBSA-N 0 1 293.411 3.825 20 0 CHADMN CC[C@]1(O)CCN([C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000495230205 1128247763 /nfs/dbraw/zinc/24/77/63/1128247763.db2.gz LSVZZOKKFBRKNU-HZMBPMFUSA-N 0 1 288.218 3.901 20 0 CHADMN CCC(CC)OC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000762108963 1128268853 /nfs/dbraw/zinc/26/88/53/1128268853.db2.gz PXHNZYIUKGFPFN-UHFFFAOYSA-N 0 1 272.348 3.731 20 0 CHADMN CC(C)C[C@@H](C)CN1CCc2c(ncn2-c2ccccc2)C1 ZINC000929063584 1128256511 /nfs/dbraw/zinc/25/65/11/1128256511.db2.gz CEHTUQRMSCPSHW-MRXNPFEDSA-N 0 1 297.446 3.913 20 0 CHADMN Cc1nnsc1[C@H](C)N1CCC[C@H]1c1cccs1 ZINC000929130544 1128259274 /nfs/dbraw/zinc/25/92/74/1128259274.db2.gz AZLQOWSDKFSSLZ-QWRGUYRKSA-N 0 1 279.434 3.806 20 0 CHADMN Cc1cccc2c1[C@@H](NCc1nc3c(s1)CCC3)CC2 ZINC000926882177 1128199976 /nfs/dbraw/zinc/19/99/76/1128199976.db2.gz MWJUESXUBYNKFQ-AWEZNQCLSA-N 0 1 284.428 3.717 20 0 CHADMN COc1ccnc([C@@H](C)N[C@H](C)c2ccc(F)cc2C)c1 ZINC000926900224 1128201388 /nfs/dbraw/zinc/20/13/88/1128201388.db2.gz XJNVLGVLZNKWCG-CHWSQXEVSA-N 0 1 288.366 3.950 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccns2)cc1C ZINC000926902854 1128201996 /nfs/dbraw/zinc/20/19/96/1128201996.db2.gz MGNFHZQTURAZTJ-RYUDHWBXSA-N 0 1 276.405 3.872 20 0 CHADMN CCSc1ccccc1CCN[C@H](C)c1cc(C)on1 ZINC000926917931 1128202516 /nfs/dbraw/zinc/20/25/16/1128202516.db2.gz CCPYPSPWPUQZJX-CYBMUJFWSA-N 0 1 290.432 3.988 20 0 CHADMN Cc1ccc(F)c(CN[C@H]2CCCc3occc32)c1 ZINC000227283563 1128203036 /nfs/dbraw/zinc/20/30/36/1128203036.db2.gz SRJNJHLNWNOXSU-HNNXBMFYSA-N 0 1 259.324 3.894 20 0 CHADMN Cc1cnc(CN[C@@H](c2ccccn2)C2CCC2)c(C)c1 ZINC000926958447 1128205658 /nfs/dbraw/zinc/20/56/58/1128205658.db2.gz FUKNEKSVWCVIFZ-GOSISDBHSA-N 0 1 281.403 3.724 20 0 CHADMN CCc1ccccc1NC(=O)CN(C)CCCC(C)(F)F ZINC000929232244 1128265841 /nfs/dbraw/zinc/26/58/41/1128265841.db2.gz QMUCICYCUUPONW-UHFFFAOYSA-N 0 1 298.377 3.555 20 0 CHADMN Cl/C=C/CSc1n[nH]c(CCC2CCCC2)n1 ZINC000074343511 1128212102 /nfs/dbraw/zinc/21/21/02/1128212102.db2.gz RQQYXUYTAZZRSJ-FPYGCLRLSA-N 0 1 271.817 3.772 20 0 CHADMN Cl/C=C/CSc1nc(CCC2CCCC2)n[nH]1 ZINC000074343511 1128212105 /nfs/dbraw/zinc/21/21/05/1128212105.db2.gz RQQYXUYTAZZRSJ-FPYGCLRLSA-N 0 1 271.817 3.772 20 0 CHADMN CCc1ncc(CN2CCC[C@@H]2c2ccsc2)o1 ZINC000929263320 1128266276 /nfs/dbraw/zinc/26/62/76/1128266276.db2.gz LFDCYEAZHPTPRA-CYBMUJFWSA-N 0 1 262.378 3.636 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1cc2cnccc2o1)c1cnn(C)c1 ZINC000927066926 1128214878 /nfs/dbraw/zinc/21/48/78/1128214878.db2.gz PDFBEJVEPMMHFN-SJKOYZFVSA-N 0 1 298.390 3.609 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H](c1cnn(C)c1)C(C)C ZINC000927071791 1128215731 /nfs/dbraw/zinc/21/57/31/1128215731.db2.gz UXLXXRYCGLGSDK-SMDDNHRTSA-N 0 1 293.436 3.538 20 0 CHADMN c1cncc([C@@H](NCc2cccc3c2OCC3)C2CCC2)c1 ZINC000927089749 1128216760 /nfs/dbraw/zinc/21/67/60/1128216760.db2.gz DFZLEGXZDPPTCK-SFHVURJKSA-N 0 1 294.398 3.648 20 0 CHADMN CC[C@H](NCc1cc(C2CC2)nn1C)c1ccccc1F ZINC000927098239 1128217499 /nfs/dbraw/zinc/21/74/99/1128217499.db2.gz GNDDBLVDSRUJNB-INIZCTEOSA-N 0 1 287.382 3.678 20 0 CHADMN CCOc1c(Cl)cccc1CN(C)CCOCC1CC1 ZINC000494964880 1128218528 /nfs/dbraw/zinc/21/85/28/1128218528.db2.gz TWFOMEWJQHYZTB-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN Cn1nc(CN[C@@H](c2ccccc2)C2CC2)cc1C1CC1 ZINC000927108733 1128218675 /nfs/dbraw/zinc/21/86/75/1128218675.db2.gz PCWDVJIXFSFDRD-SFHVURJKSA-N 0 1 281.403 3.538 20 0 CHADMN CCc1onc(C)c1CN[C@H]1CCCc2ccccc21 ZINC000927139209 1128221554 /nfs/dbraw/zinc/22/15/54/1128221554.db2.gz HCDBGIQRXOWOTC-INIZCTEOSA-N 0 1 270.376 3.713 20 0 CHADMN CC(C)[C@H]1CCN1Cc1cnc(-c2ccco2)s1 ZINC000495036284 1128225281 /nfs/dbraw/zinc/22/52/81/1128225281.db2.gz MCNBVXMZFSAMAN-GFCCVEGCSA-N 0 1 262.378 3.633 20 0 CHADMN C[C@H](c1c(F)cccc1F)N(C)C[C@H]1CCSC1 ZINC000495090464 1128230360 /nfs/dbraw/zinc/23/03/60/1128230360.db2.gz IDJAFBXGFJDZCJ-GHMZBOCLSA-N 0 1 271.376 3.711 20 0 CHADMN CCc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)s1 ZINC000762117867 1128269830 /nfs/dbraw/zinc/26/98/30/1128269830.db2.gz UQVYSSHKTPUPOT-UHFFFAOYSA-N 0 1 296.355 3.904 20 0 CHADMN C[C@H](c1ccco1)N(C)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929368772 1128271626 /nfs/dbraw/zinc/27/16/26/1128271626.db2.gz BVSYOQXLHYRQFS-MDZLAQPJSA-N 0 1 291.313 3.772 20 0 CHADMN CCN(Cc1ccoc1)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929477874 1128274940 /nfs/dbraw/zinc/27/49/40/1128274940.db2.gz JHKZKURZPMIMEK-STQMWFEESA-N 0 1 291.313 3.602 20 0 CHADMN Cc1cccc(-c2noc(CN3CCCCCCC3)n2)c1 ZINC000915058343 1128278180 /nfs/dbraw/zinc/27/81/80/1128278180.db2.gz SQWAKXZFVYJYDC-UHFFFAOYSA-N 0 1 285.391 3.811 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@@H]2c2ccccc2F)c(C)nn1 ZINC000929725313 1128284034 /nfs/dbraw/zinc/28/40/34/1128284034.db2.gz IGRQHBCWGWWWDO-KZULUSFZSA-N 0 1 299.393 3.816 20 0 CHADMN CC[C@@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@@H](C)O1 ZINC000929620384 1128279792 /nfs/dbraw/zinc/27/97/92/1128279792.db2.gz RKNRFDATTYTRHC-DTZQCDIJSA-N 0 1 295.373 3.535 20 0 CHADMN CCCN(CCc1cccc(F)c1)[C@H](C)c1ncccn1 ZINC000929642222 1128280424 /nfs/dbraw/zinc/28/04/24/1128280424.db2.gz FHJNQSMKIMPYNA-CQSZACIVSA-N 0 1 287.382 3.631 20 0 CHADMN Cc1nc(C)c(C[N@H+](Cc2ccc(F)cc2)CC2CC2)[nH]1 ZINC000929655642 1128280680 /nfs/dbraw/zinc/28/06/80/1128280680.db2.gz FFHPSIYCWKTYKT-UHFFFAOYSA-N 0 1 287.382 3.578 20 0 CHADMN Cc1nc(C)c(CN(Cc2ccc(F)cc2)CC2CC2)[nH]1 ZINC000929655642 1128280684 /nfs/dbraw/zinc/28/06/84/1128280684.db2.gz FFHPSIYCWKTYKT-UHFFFAOYSA-N 0 1 287.382 3.578 20 0 CHADMN CCc1ncc(CN(C)CCc2ccc(Cl)cc2)o1 ZINC000929641566 1128281008 /nfs/dbraw/zinc/28/10/08/1128281008.db2.gz QJRNHMKBBUZWTB-UHFFFAOYSA-N 0 1 278.783 3.565 20 0 CHADMN C[C@@H]1SCCN(Cc2cnc(-c3ccccc3)o2)[C@H]1C ZINC000929673527 1128281330 /nfs/dbraw/zinc/28/13/30/1128281330.db2.gz XMXHOBLPQNNHAX-STQMWFEESA-N 0 1 288.416 3.667 20 0 CHADMN C[C@@H]1CCCN(Cc2coc(C(C)(C)C)n2)[C@@H]1C ZINC000929705066 1128283496 /nfs/dbraw/zinc/28/34/96/1128283496.db2.gz SUVPQAWRAWUTIT-VXGBXAGGSA-N 0 1 250.386 3.593 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CC[C@@H]1Cc1ccccc1 ZINC000929813934 1128289544 /nfs/dbraw/zinc/28/95/44/1128289544.db2.gz HIUAEEPORWHDFX-XJKSGUPXSA-N 0 1 270.351 3.599 20 0 CHADMN CCc1ccc(N(CC)C(=O)c2cccc3[nH]ncc32)cc1 ZINC000915193216 1128290442 /nfs/dbraw/zinc/29/04/42/1128290442.db2.gz BEYCRLKPNVKFIK-UHFFFAOYSA-N 0 1 293.370 3.792 20 0 CHADMN C[C@@H]1CC/C(=C/C(=O)Nc2cccc(-c3cn[nH]c3)c2)C1 ZINC000762316642 1128290942 /nfs/dbraw/zinc/29/09/42/1128290942.db2.gz NEFRMGVFCIDSHM-YFBAIUBQSA-N 0 1 281.359 3.762 20 0 CHADMN COc1cccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1C ZINC000929888404 1128291596 /nfs/dbraw/zinc/29/15/96/1128291596.db2.gz ZKSRELVDZQJZJP-INIZCTEOSA-N 0 1 270.376 3.669 20 0 CHADMN CC(C)N(CC1CC1)Cn1c2ccccc2n(C)c1=S ZINC000915209046 1128292040 /nfs/dbraw/zinc/29/20/40/1128292040.db2.gz RDMYWMQMJMHLIR-UHFFFAOYSA-N 0 1 289.448 3.787 20 0 CHADMN Cc1cccc(CN(CCOC2CC2)Cc2ccccn2)c1 ZINC000929988155 1128296411 /nfs/dbraw/zinc/29/64/11/1128296411.db2.gz GNYWKBQQNMQNSI-UHFFFAOYSA-N 0 1 296.414 3.571 20 0 CHADMN C[C@H](NCCSc1ccncc1)c1c(F)cccc1F ZINC000930191506 1128305436 /nfs/dbraw/zinc/30/54/36/1128305436.db2.gz CDWFEFULTZVBQB-NSHDSACASA-N 0 1 294.370 3.803 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2cc(C)cc(C)n2)cc1 ZINC000930186559 1128305842 /nfs/dbraw/zinc/30/58/42/1128305842.db2.gz BHETXUCFZZSLEB-OAHLLOKOSA-N 0 1 284.403 3.948 20 0 CHADMN Cc1cn(C)nc1CN[C@H](c1ccccc1C)C(C)C ZINC000930217218 1128307199 /nfs/dbraw/zinc/30/71/99/1128307199.db2.gz KSJGKACTDIGUOM-KRWDZBQOSA-N 0 1 271.408 3.524 20 0 CHADMN COC/C(C)=C\CN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000930486369 1128321605 /nfs/dbraw/zinc/32/16/05/1128321605.db2.gz KUPMPLWJIFUSMV-XMCSSRMMSA-N 0 1 299.418 3.601 20 0 CHADMN COC/C(C)=C/CN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000930486361 1128321843 /nfs/dbraw/zinc/32/18/43/1128321843.db2.gz KUPMPLWJIFUSMV-AAKUMTKESA-N 0 1 299.418 3.601 20 0 CHADMN CCn1cc(CN([C@H](C)c2ccccc2)C2CCCC2)nn1 ZINC000930434643 1128318986 /nfs/dbraw/zinc/31/89/86/1128318986.db2.gz DBJSDHUXCHEUQT-OAHLLOKOSA-N 0 1 298.434 3.804 20 0 CHADMN CC(C)(C)c1nc(CN2CCC[C@@H](C3CC3)C2)co1 ZINC000930498336 1128322632 /nfs/dbraw/zinc/32/26/32/1128322632.db2.gz HGKUOPLPHDFICN-CYBMUJFWSA-N 0 1 262.397 3.594 20 0 CHADMN FCc1ccccc1CN1CCC2(C1)Oc1ccccc1O2 ZINC000930505276 1128322652 /nfs/dbraw/zinc/32/26/52/1128322652.db2.gz KFCCIZQLDHSWCN-UHFFFAOYSA-N 0 1 299.345 3.530 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CCC[C@@H](c2ccccn2)C1 ZINC000930570857 1128326234 /nfs/dbraw/zinc/32/62/34/1128326234.db2.gz UTDVBHNENAUUGZ-UKRRQHHQSA-N 0 1 285.366 3.556 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CCC[C@@H](c2ccccn2)C1 ZINC000930570855 1128326286 /nfs/dbraw/zinc/32/62/86/1128326286.db2.gz UTDVBHNENAUUGZ-DZGCQCFKSA-N 0 1 285.366 3.556 20 0 CHADMN CC(C)(C)C[C@H]1CCN(Cc2nncs2)C1(C)C ZINC000930729595 1128332935 /nfs/dbraw/zinc/33/29/35/1128332935.db2.gz NBRDXVQJDLACCQ-LLVKDONJSA-N 0 1 267.442 3.575 20 0 CHADMN CC(C)(C)c1nc(CN2CC[C@H](C3CCC3)C2)co1 ZINC000930737837 1128333176 /nfs/dbraw/zinc/33/31/76/1128333176.db2.gz FQECTIPVEUICDA-ZDUSSCGKSA-N 0 1 262.397 3.594 20 0 CHADMN CN(Cc1ccsc1)Cc1c[nH]c2cnc(Cl)cc12 ZINC001235522907 1128337898 /nfs/dbraw/zinc/33/78/98/1128337898.db2.gz ZVXDJDFFXNCGHK-UHFFFAOYSA-N 0 1 291.807 3.910 20 0 CHADMN COc1cccc2c1CN([C@@H](C)Cc1cccc(F)c1)C2 ZINC001168499204 1128338561 /nfs/dbraw/zinc/33/85/61/1128338561.db2.gz XVPPCCJJSFTOFM-ZDUSSCGKSA-N 0 1 285.362 3.781 20 0 CHADMN CC(C)(O)C(C)(C)CN[C@H](c1ccccc1)c1ccccn1 ZINC000393671216 1128345130 /nfs/dbraw/zinc/34/51/30/1128345130.db2.gz POUNYOLLSUQHPU-QGZVFWFLSA-N 0 1 298.430 3.558 20 0 CHADMN O=C(NOC1CCCCC1)[C@H]1CCc2c1cccc2Cl ZINC000777961227 1128349074 /nfs/dbraw/zinc/34/90/74/1128349074.db2.gz LVYFGBFCEPIEMG-AWEZNQCLSA-N 0 1 293.794 3.750 20 0 CHADMN C[C@@H](N[C@@H](c1ccccn1)C1CCC1)c1ccc(F)nc1 ZINC000931173875 1128351371 /nfs/dbraw/zinc/35/13/71/1128351371.db2.gz UOGJNEVBKLYSRL-SJKOYZFVSA-N 0 1 285.366 3.808 20 0 CHADMN CC[C@@H]1C[C@H]1CN1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931388741 1128359598 /nfs/dbraw/zinc/35/95/98/1128359598.db2.gz VCXJNHXVTBBHET-UVBSCNOISA-N 0 1 299.393 3.542 20 0 CHADMN Clc1cccc(CN2CCC(c3ncco3)CC2)c1 ZINC000931447216 1128362125 /nfs/dbraw/zinc/36/21/25/1128362125.db2.gz ZXQRHHWEFGFXAZ-UHFFFAOYSA-N 0 1 276.767 3.708 20 0 CHADMN O=C(CCc1ccc(Cl)cc1)Nc1ccc2nc[nH]c2c1 ZINC000243164956 1128363320 /nfs/dbraw/zinc/36/33/20/1128363320.db2.gz JRMLDYUVYFEWRW-UHFFFAOYSA-N 0 1 299.761 3.788 20 0 CHADMN CC[N@@H+](Cc1coc(-c2cccc(F)c2)n1)C(C)C ZINC000194090883 1128363673 /nfs/dbraw/zinc/36/36/73/1128363673.db2.gz DMBLFRRDACXHRI-UHFFFAOYSA-N 0 1 262.328 3.711 20 0 CHADMN CCN(Cc1coc(-c2cccc(F)c2)n1)C(C)C ZINC000194090883 1128363676 /nfs/dbraw/zinc/36/36/76/1128363676.db2.gz DMBLFRRDACXHRI-UHFFFAOYSA-N 0 1 262.328 3.711 20 0 CHADMN COc1ccc(CN[C@@H](C)c2c(C)noc2C)cc1Cl ZINC000090715238 1128367714 /nfs/dbraw/zinc/36/77/14/1128367714.db2.gz PBMCOLORMNLVAN-VIFPVBQESA-N 0 1 294.782 3.804 20 0 CHADMN CCc1onc(C)c1CN1CCC[C@@H]1c1cncc(C)c1 ZINC000931567791 1128369698 /nfs/dbraw/zinc/36/96/98/1128369698.db2.gz XZVAENBYHZBXEP-MRXNPFEDSA-N 0 1 285.391 3.586 20 0 CHADMN CCCCCC[C@@H](C)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000763190443 1128370392 /nfs/dbraw/zinc/37/03/92/1128370392.db2.gz YLKJVMAKDSRAAC-CHWSQXEVSA-N 0 1 294.443 3.712 20 0 CHADMN COc1ccncc1CN(C)[C@H](C)c1ccccc1C ZINC000287411510 1128371688 /nfs/dbraw/zinc/37/16/88/1128371688.db2.gz SIIRNXCONCHCNZ-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN CCc1nc([C@@H]2CCCCN2C[C@@H](C)C(C)(C)C)no1 ZINC000670262787 1128375261 /nfs/dbraw/zinc/37/52/61/1128375261.db2.gz LXJDGHXKSZDGGA-OLZOCXBDSA-N 0 1 279.428 3.841 20 0 CHADMN Fc1ccc([C@@H](N[C@H]2C[C@@H]2C(F)F)c2cccnc2)cc1 ZINC000562066676 1128375636 /nfs/dbraw/zinc/37/56/36/1128375636.db2.gz XIBCXHVRHQOGCT-SOUVJXGZSA-N 0 1 292.304 3.553 20 0 CHADMN Cc1ccc(CCCN2CCc3nc[nH]c3C23CCC3)cc1 ZINC000931680202 1128375967 /nfs/dbraw/zinc/37/59/67/1128375967.db2.gz QPJPDKXAAHHXGZ-UHFFFAOYSA-N 0 1 295.430 3.588 20 0 CHADMN Cc1ncc(CN2CCCSC[C@H]2c2ccccc2)o1 ZINC000931693355 1128376316 /nfs/dbraw/zinc/37/63/16/1128376316.db2.gz AYWIMISGDOHHAU-INIZCTEOSA-N 0 1 288.416 3.663 20 0 CHADMN CC1CN(Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000670270647 1128382422 /nfs/dbraw/zinc/38/24/22/1128382422.db2.gz KCTQHQPAKHVOFK-UHFFFAOYSA-N 0 1 283.419 3.622 20 0 CHADMN CSCC1CCN([C@H](C)c2nc3ccccc3o2)CC1 ZINC000932588069 1128416456 /nfs/dbraw/zinc/41/64/56/1128416456.db2.gz ZQDXJUYMYSHKFR-GFCCVEGCSA-N 0 1 290.432 3.964 20 0 CHADMN C[C@@H](c1ccccn1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931919292 1128387698 /nfs/dbraw/zinc/38/76/98/1128387698.db2.gz RPODQOFXWPRKMI-CMPLNLGQSA-N 0 1 288.288 3.509 20 0 CHADMN Cc1nc2ccc(-c3cc(O)cc(Cl)c3)cc2[nH]1 ZINC001235904770 1128387678 /nfs/dbraw/zinc/38/76/78/1128387678.db2.gz RPJZVZSHGAAMKW-UHFFFAOYSA-N 0 1 258.708 3.897 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2ccc(C(C)C)cc2)o1 ZINC000398059090 1128392797 /nfs/dbraw/zinc/39/27/97/1128392797.db2.gz JQXQUEPUQJMYLL-LBPRGKRZSA-N 0 1 258.365 3.957 20 0 CHADMN CC(C)CN1CCC[C@@H]1c1cncc(Br)c1 ZINC000932255876 1128402458 /nfs/dbraw/zinc/40/24/58/1128402458.db2.gz PZEQYMBEQBSKJF-CYBMUJFWSA-N 0 1 283.213 3.637 20 0 CHADMN CC(C)CN(Cc1ccccn1)[C@@H](C)c1ccccn1 ZINC000932447953 1128409874 /nfs/dbraw/zinc/40/98/74/1128409874.db2.gz WMSSAAWZNPEWNC-HNNXBMFYSA-N 0 1 269.392 3.696 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2F)Cc2ccccc21 ZINC000916151349 1128410193 /nfs/dbraw/zinc/41/01/93/1128410193.db2.gz GCCMVFQBDNUWQI-CYBMUJFWSA-N 0 1 255.336 3.945 20 0 CHADMN Fc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)c(F)c1 ZINC000562807384 1128420828 /nfs/dbraw/zinc/42/08/28/1128420828.db2.gz BSLMXOCEESJTIE-OAHLLOKOSA-N 0 1 263.331 3.729 20 0 CHADMN c1nc(C2CC2)sc1CN1CCSC[C@H]1C1CCC1 ZINC000562812447 1128421537 /nfs/dbraw/zinc/42/15/37/1128421537.db2.gz ZMJJEGUXYQRHOB-AWEZNQCLSA-N 0 1 294.489 3.738 20 0 CHADMN Oc1cccc(CNCc2cccc3cccnc32)c1Cl ZINC000328321015 1128423834 /nfs/dbraw/zinc/42/38/34/1128423834.db2.gz HKWVXQNQUROZMJ-UHFFFAOYSA-N 0 1 298.773 3.884 20 0 CHADMN COc1cccc(CSc2nc(C(C)(C)C)n[nH]2)c1C ZINC000916542897 1128424060 /nfs/dbraw/zinc/42/40/60/1128424060.db2.gz AQLRKVSVYQHBBA-UHFFFAOYSA-N 0 1 291.420 3.712 20 0 CHADMN COc1cccc(CSc2n[nH]c(C(C)(C)C)n2)c1C ZINC000916542897 1128424062 /nfs/dbraw/zinc/42/40/62/1128424062.db2.gz AQLRKVSVYQHBBA-UHFFFAOYSA-N 0 1 291.420 3.712 20 0 CHADMN CC(C)(C)c1n[nH]c(SC2CC3(CCC3)C2)n1 ZINC000916545940 1128424071 /nfs/dbraw/zinc/42/40/71/1128424071.db2.gz YSBQNBWNNREVGQ-UHFFFAOYSA-N 0 1 251.399 3.527 20 0 CHADMN CC(C)(C)c1nc(SC2CC3(CCC3)C2)n[nH]1 ZINC000916545940 1128424073 /nfs/dbraw/zinc/42/40/73/1128424073.db2.gz YSBQNBWNNREVGQ-UHFFFAOYSA-N 0 1 251.399 3.527 20 0 CHADMN CC(F)(F)CCCSc1nc(C(C)(C)C)n[nH]1 ZINC000916545000 1128424078 /nfs/dbraw/zinc/42/40/78/1128424078.db2.gz PGLJASRMSRIOOS-UHFFFAOYSA-N 0 1 263.357 3.630 20 0 CHADMN CC(F)(F)CCCSc1n[nH]c(C(C)(C)C)n1 ZINC000916545000 1128424080 /nfs/dbraw/zinc/42/40/80/1128424080.db2.gz PGLJASRMSRIOOS-UHFFFAOYSA-N 0 1 263.357 3.630 20 0 CHADMN COC(=O)c1sccc1CN(C)CC1CCCCC1 ZINC000328412098 1128430610 /nfs/dbraw/zinc/43/06/10/1128430610.db2.gz PGJOTCBUGWAXGR-UHFFFAOYSA-N 0 1 281.421 3.547 20 0 CHADMN C[C@H](NCCC(F)(F)F)c1cc(Cl)cc2c1OCC2 ZINC000933272149 1128432663 /nfs/dbraw/zinc/43/26/63/1128432663.db2.gz GURUFNYDSJAIMR-QMMMGPOBSA-N 0 1 293.716 3.878 20 0 CHADMN Cc1ccc2nc(SC[C@@H]3CCCC[C@@H]3O)[nH]c2c1 ZINC000328532692 1128432847 /nfs/dbraw/zinc/43/28/47/1128432847.db2.gz YMUNNUBNNJUHQD-FZMZJTMJSA-N 0 1 276.405 3.515 20 0 CHADMN CCC[C@H]1CCCCN1Cc1nc(CCC(C)C)no1 ZINC000542595061 1128434230 /nfs/dbraw/zinc/43/42/30/1128434230.db2.gz URWKDZKNCPKNNI-AWEZNQCLSA-N 0 1 279.428 3.813 20 0 CHADMN Cc1cc(C)c(CN[C@]2(C)CCOc3ccccc32)c(C)n1 ZINC000933369523 1128434225 /nfs/dbraw/zinc/43/42/25/1128434225.db2.gz KLUPYOHCVPMVSF-LJQANCHMSA-N 0 1 296.414 3.794 20 0 CHADMN Fc1ccc(CNC2(c3ccc(Cl)cc3)CC2)cn1 ZINC000778170453 1128434394 /nfs/dbraw/zinc/43/43/94/1128434394.db2.gz QVLGZYVXFUGLGV-UHFFFAOYSA-N 0 1 276.742 3.653 20 0 CHADMN c1c(CNC2([C@@H]3CCCCO3)CC2)onc1-c1ccccc1 ZINC000933378672 1128434478 /nfs/dbraw/zinc/43/44/78/1128434478.db2.gz WENIIQXSGHATHL-KRWDZBQOSA-N 0 1 298.386 3.533 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccc(OC)c(C)c2)nc1 ZINC000933483773 1128435424 /nfs/dbraw/zinc/43/54/24/1128435424.db2.gz KVONORFWCSNSKL-CQSZACIVSA-N 0 1 284.403 3.812 20 0 CHADMN Oc1c(F)cc(F)c(-c2cccc(C3CC3)n2)c1F ZINC001235991872 1128436221 /nfs/dbraw/zinc/43/62/21/1128436221.db2.gz DXAQWLXVCAYRPB-UHFFFAOYSA-N 0 1 265.234 3.749 20 0 CHADMN COc1ccc(-c2c(F)cc(F)c(O)c2F)c(C)c1 ZINC001235995754 1128444840 /nfs/dbraw/zinc/44/48/40/1128444840.db2.gz PVOUJTBGRJURLH-UHFFFAOYSA-N 0 1 268.234 3.794 20 0 CHADMN CC(C)(C)c1cc(CN[C@H]2CCOC23CCCCC3)no1 ZINC000933872725 1128446374 /nfs/dbraw/zinc/44/63/74/1128446374.db2.gz XYMMQSPYDUXFFQ-AWEZNQCLSA-N 0 1 292.423 3.554 20 0 CHADMN CCn1nccc1CN[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000125109419 1128447387 /nfs/dbraw/zinc/44/73/87/1128447387.db2.gz YIEWUVLKKJRYKM-HNNXBMFYSA-N 0 1 285.435 3.952 20 0 CHADMN C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(Br)s2)C1 ZINC000125698914 1128451930 /nfs/dbraw/zinc/45/19/30/1128451930.db2.gz ZLXHVHIWIBSNES-IUCAKERBSA-N 0 1 274.227 3.741 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2ccc(Br)s2)C1 ZINC000125698914 1128451933 /nfs/dbraw/zinc/45/19/33/1128451933.db2.gz ZLXHVHIWIBSNES-IUCAKERBSA-N 0 1 274.227 3.741 20 0 CHADMN C/C(=C/c1ccccc1C(F)(F)F)CNCc1ccno1 ZINC000563151455 1128452639 /nfs/dbraw/zinc/45/26/39/1128452639.db2.gz SMLNHGPBRWRCAA-FLIBITNWSA-N 0 1 296.292 3.887 20 0 CHADMN CC(C)(CSc1nc(-c2cccnc2)n[nH]1)CC(F)F ZINC000916754518 1128454585 /nfs/dbraw/zinc/45/45/85/1128454585.db2.gz SFFAZMHPAFXZOS-UHFFFAOYSA-N 0 1 298.362 3.640 20 0 CHADMN c1c[nH]c([C@@H](NCCCc2ccccc2)c2ccccc2)n1 ZINC000125498443 1128449756 /nfs/dbraw/zinc/44/97/56/1128449756.db2.gz RJYDBENSLAUIIP-SFHVURJKSA-N 0 1 291.398 3.722 20 0 CHADMN Oc1c(F)cc(F)c(-c2c(F)ccc(F)c2F)c1F ZINC001235998500 1128450656 /nfs/dbraw/zinc/45/06/56/1128450656.db2.gz NZESPXZXVSDBLU-UHFFFAOYSA-N 0 1 278.151 3.894 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000563124759 1128450863 /nfs/dbraw/zinc/45/08/63/1128450863.db2.gz LCNXJUGIBMHAKV-QWQRMKEZSA-N 0 1 297.398 3.943 20 0 CHADMN CC[C@@H]1CCN(Cc2csc(C(C)(C)C)n2)C1 ZINC000125890561 1128455716 /nfs/dbraw/zinc/45/57/16/1128455716.db2.gz UGQOUSICACRPKO-LLVKDONJSA-N 0 1 252.427 3.673 20 0 CHADMN CCn1cc(CN(C)[C@@H](C)c2cc3ccccc3o2)cn1 ZINC000126009095 1128460103 /nfs/dbraw/zinc/46/01/03/1128460103.db2.gz ZABKKIIWZPOCTL-ZDUSSCGKSA-N 0 1 283.375 3.842 20 0 CHADMN C[C@@H](c1cc2ccccc2o1)N(C)Cc1ccc(CO)o1 ZINC000126020415 1128460160 /nfs/dbraw/zinc/46/01/60/1128460160.db2.gz MPYMNFFRANHBFB-LBPRGKRZSA-N 0 1 285.343 3.711 20 0 CHADMN COc1ccc(CN[C@@H](c2ncccc2C)C(C)(C)C)cn1 ZINC000934291795 1128456608 /nfs/dbraw/zinc/45/66/08/1128456608.db2.gz SVXCGZUEGKDTJK-KRWDZBQOSA-N 0 1 299.418 3.671 20 0 CHADMN CCCCCCN1CCc2c(ncn2-c2ccccc2)C1 ZINC000778238941 1128457591 /nfs/dbraw/zinc/45/75/91/1128457591.db2.gz SRUOWRXHAIOKHO-UHFFFAOYSA-N 0 1 283.419 3.811 20 0 CHADMN c1cc(CNCc2ccccc2N2CCCCC2)co1 ZINC000916845907 1128457965 /nfs/dbraw/zinc/45/79/65/1128457965.db2.gz VIFRJUZZDHVJOE-UHFFFAOYSA-N 0 1 270.376 3.560 20 0 CHADMN Clc1ccc(CN2CC[C@H](Cc3nccs3)C2)s1 ZINC000934333493 1128458627 /nfs/dbraw/zinc/45/86/27/1128458627.db2.gz PDDJMKUWYANETJ-SNVBAGLBSA-N 0 1 298.864 3.923 20 0 CHADMN FCCC1C[C@H]2CC[C@@H](C1)N2Cc1scnc1Cl ZINC000934456550 1128460499 /nfs/dbraw/zinc/46/04/99/1128460499.db2.gz YMKXYGCFDCYOJQ-FGWVZKOKSA-N 0 1 288.819 3.899 20 0 CHADMN C[C@H](N[C@@H]1CC=CC[C@H]1C)c1ncc(C(C)(C)C)o1 ZINC000934623939 1128465155 /nfs/dbraw/zinc/46/51/55/1128465155.db2.gz TZVOVHGKOZIDSB-FRRDWIJNSA-N 0 1 262.397 3.977 20 0 CHADMN CSCC(C)(C)NCc1ncc(-c2ccccc2)o1 ZINC000934677775 1128465811 /nfs/dbraw/zinc/46/58/11/1128465811.db2.gz RCQUWSJIAKKGLZ-UHFFFAOYSA-N 0 1 276.405 3.573 20 0 CHADMN c1ccc(OC2CC2)c(CN[C@@H](c2ccncc2)C2CC2)c1 ZINC000934696078 1128466289 /nfs/dbraw/zinc/46/62/89/1128466289.db2.gz CGOMBOWFOBYUTP-LJQANCHMSA-N 0 1 294.398 3.864 20 0 CHADMN Fc1cc(F)cc(CN[C@H](c2ccncc2)C2CC2)c1 ZINC000934696873 1128466654 /nfs/dbraw/zinc/46/66/54/1128466654.db2.gz HRLOCYZEPHGLFL-INIZCTEOSA-N 0 1 274.314 3.601 20 0 CHADMN Cc1cc(C)cc(N(C)C(=O)c2cc(-c3ccco3)n[nH]2)c1 ZINC000065861578 1128467179 /nfs/dbraw/zinc/46/71/79/1128467179.db2.gz NAXQETZVHFQJLA-UHFFFAOYSA-N 0 1 295.342 3.563 20 0 CHADMN CC(C)Oc1ccnc(CN[C@H](c2ccncc2)C2CC2)c1 ZINC000934703031 1128467328 /nfs/dbraw/zinc/46/73/28/1128467328.db2.gz ZSPDDVSXQVTFRP-SFHVURJKSA-N 0 1 297.402 3.505 20 0 CHADMN CCC[C@H](C)CC[C@H](C)N[C@H](C)c1ncc(F)cn1 ZINC001257470354 1128468716 /nfs/dbraw/zinc/46/87/16/1128468716.db2.gz GVCMQEOJYLPTCX-RWMBFGLXSA-N 0 1 267.392 3.871 20 0 CHADMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)C1CCCC1 ZINC000066445337 1128473977 /nfs/dbraw/zinc/47/39/77/1128473977.db2.gz WRKIJXJGGVPSOC-OAHLLOKOSA-N 0 1 299.374 3.543 20 0 CHADMN Cc1cccc([C@@H](C)[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000126997907 1128470901 /nfs/dbraw/zinc/47/09/01/1128470901.db2.gz BWEUVTDLBBSPRQ-BEFAXECRSA-N 0 1 297.398 3.835 20 0 CHADMN Cc1cccc([C@@H](C)N2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000126997907 1128470904 /nfs/dbraw/zinc/47/09/04/1128470904.db2.gz BWEUVTDLBBSPRQ-BEFAXECRSA-N 0 1 297.398 3.835 20 0 CHADMN CCCc1ccc([C@H](C)NCc2ncccc2N(C)C)cc1 ZINC000563787089 1128478619 /nfs/dbraw/zinc/47/86/19/1128478619.db2.gz SBWMPXBHKXRIFS-HNNXBMFYSA-N 0 1 297.446 3.951 20 0 CHADMN CN(Cc1cc2ccccc2o1)C(=O)c1c(O)cccc1F ZINC000127789132 1128482670 /nfs/dbraw/zinc/48/26/70/1128482670.db2.gz LCEZMUATLNIQKM-UHFFFAOYSA-N 0 1 299.301 3.550 20 0 CHADMN C[C@H]1CN(CCCC2CCCC2)CCN1CC(F)(F)F ZINC000127844999 1128483613 /nfs/dbraw/zinc/48/36/13/1128483613.db2.gz OKCQOROGMUJDSW-ZDUSSCGKSA-N 0 1 292.389 3.525 20 0 CHADMN CC(C)CC1(CN[C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000128021823 1128485459 /nfs/dbraw/zinc/48/54/59/1128485459.db2.gz LBTHUTKHMXYCHI-INIZCTEOSA-N 0 1 283.419 3.915 20 0 CHADMN C/C=C/c1ccc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000497408157 1128490067 /nfs/dbraw/zinc/49/00/67/1128490067.db2.gz WPFFKYZHCCCSSL-ZYOFXKKJSA-N 0 1 298.390 3.504 20 0 CHADMN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccco2)c1 ZINC000089725130 1128492072 /nfs/dbraw/zinc/49/20/72/1128492072.db2.gz TUEJKFMGMVDCRW-UKRRQHHQSA-N 0 1 284.359 3.811 20 0 CHADMN Cc1cc(C)nc(CN[C@@H](c2ncccc2C)C(C)C)c1 ZINC000929983866 1128500932 /nfs/dbraw/zinc/50/09/32/1128500932.db2.gz IWRPRTXIOHWLMF-QGZVFWFLSA-N 0 1 283.419 3.889 20 0 CHADMN CC1(C)CCC[N@H+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000564577908 1128511542 /nfs/dbraw/zinc/51/15/42/1128511542.db2.gz SAQLBEDJMBLHRU-ZDUSSCGKSA-N 0 1 299.773 3.727 20 0 CHADMN CC[C@H](C)N(C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000068451107 1128511751 /nfs/dbraw/zinc/51/17/51/1128511751.db2.gz XUXVEJVALGHZLB-NSHDSACASA-N 0 1 262.328 3.711 20 0 CHADMN Cc1cc(CNCc2ccc(-c3ccccc3)cc2)n(C)n1 ZINC000564593908 1128512782 /nfs/dbraw/zinc/51/27/82/1128512782.db2.gz QMIZKEABEVRKBO-UHFFFAOYSA-N 0 1 291.398 3.685 20 0 CHADMN CC(C)[C@H]1CN([C@H](C)c2cc(F)ccc2F)CCCO1 ZINC000564785889 1128515353 /nfs/dbraw/zinc/51/53/53/1128515353.db2.gz COHLSLIBPXMRAC-MLGOLLRUSA-N 0 1 283.362 3.773 20 0 CHADMN CC1(C)CC[C@@H](Sc2nc(-c3ccccc3O)n[nH]2)C1 ZINC000564830738 1128516049 /nfs/dbraw/zinc/51/60/49/1128516049.db2.gz KRRHKHKWVWWDIF-SNVBAGLBSA-N 0 1 289.404 3.848 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000565108319 1128520207 /nfs/dbraw/zinc/52/02/07/1128520207.db2.gz XENIEQSXILEGAY-YVEFUNNKSA-N 0 1 291.391 3.552 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000565108316 1128520267 /nfs/dbraw/zinc/52/02/67/1128520267.db2.gz XENIEQSXILEGAY-PXAZEXFGSA-N 0 1 291.391 3.552 20 0 CHADMN O=C([O-])C[N@H+](Cc1ccc(F)cc1)CC1CCCCCC1 ZINC000565366462 1128525352 /nfs/dbraw/zinc/52/53/52/1128525352.db2.gz SJWZKTYSCQHZKV-UHFFFAOYSA-N 0 1 293.382 3.683 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@@H](C)c1cnc(C)s1 ZINC000631709832 1128531318 /nfs/dbraw/zinc/53/13/18/1128531318.db2.gz VWIWQGMWGFROSJ-WDEREUQCSA-N 0 1 275.421 3.821 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000565744286 1128532141 /nfs/dbraw/zinc/53/21/41/1128532141.db2.gz RPVMXNYUHDCTGR-DAXOMENPSA-N 0 1 277.383 3.776 20 0 CHADMN C[C@@H](c1ccco1)N(C)Cc1ccc(-n2cccn2)cc1 ZINC000069065034 1128533545 /nfs/dbraw/zinc/53/35/45/1128533545.db2.gz IMKMXZPIEJCKIY-AWEZNQCLSA-N 0 1 281.359 3.658 20 0 CHADMN CCCN(C)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000069091864 1128534505 /nfs/dbraw/zinc/53/45/05/1128534505.db2.gz SLNGJFINYOPZJH-KRWDZBQOSA-N 0 1 282.387 3.708 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000566359715 1128542911 /nfs/dbraw/zinc/54/29/11/1128542911.db2.gz WCRIQKKPVXUVJU-ZDUSSCGKSA-N 0 1 287.762 3.554 20 0 CHADMN C[C@H](c1ccco1)N(CCOC1CCSCC1)C1CC1 ZINC000930024929 1128545320 /nfs/dbraw/zinc/54/53/20/1128545320.db2.gz WCNHQVHALMXZFZ-CYBMUJFWSA-N 0 1 295.448 3.717 20 0 CHADMN COc1cc([C@H](C)N[C@H]2CSc3ccccc32)ccn1 ZINC000567224744 1128560740 /nfs/dbraw/zinc/56/07/40/1128560740.db2.gz WKZFOJXTDWFEGL-FZMZJTMJSA-N 0 1 286.400 3.588 20 0 CHADMN NC1(c2noc(/C=C\c3cccc(Cl)c3)n2)CCCC1 ZINC000566738477 1128550359 /nfs/dbraw/zinc/55/03/59/1128550359.db2.gz VONSWIXKAWSNCK-SREVYHEPSA-N 0 1 289.766 3.621 20 0 CHADMN C[C@H](c1ccccc1F)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000566766658 1128551089 /nfs/dbraw/zinc/55/10/89/1128551089.db2.gz YZIVDIWKEBEDNC-WQVCFCJDSA-N 0 1 277.383 3.776 20 0 CHADMN CC[C@@H](NCc1cnoc1C)c1ccc(Cl)cc1 ZINC000129720840 1128554002 /nfs/dbraw/zinc/55/40/02/1128554002.db2.gz ORWJPYYBLBPYRC-CQSZACIVSA-N 0 1 264.756 3.877 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@@H](Cc3ccc(C)cc3)C2)o1 ZINC000566987964 1128556142 /nfs/dbraw/zinc/55/61/42/1128556142.db2.gz IRAUEALVLZEOIO-YOEHRIQHSA-N 0 1 299.418 3.702 20 0 CHADMN C=Cn1cc(CN2CCC(c3ccccc3F)CC2)cn1 ZINC000567068827 1128557228 /nfs/dbraw/zinc/55/72/28/1128557228.db2.gz RJMYLLCHAYMKQA-UHFFFAOYSA-N 0 1 285.366 3.502 20 0 CHADMN CC1(C)CCC(NCc2noc(-c3cccs3)n2)CC1 ZINC000556158378 1128557317 /nfs/dbraw/zinc/55/73/17/1128557317.db2.gz JRAFBFBIQQFZEC-UHFFFAOYSA-N 0 1 291.420 3.857 20 0 CHADMN NC1(c2noc([C@@H]3CCCC[C@@H]3C3CC3)n2)CCCCC1 ZINC000567351268 1128563016 /nfs/dbraw/zinc/56/30/16/1128563016.db2.gz CSHZSGGBMBRJND-ZIAGYGMSSA-N 0 1 289.423 3.872 20 0 CHADMN CCc1ccc(CN2C[C@H](C)[C@@H]2c2ccccc2)nc1 ZINC000567490760 1128565851 /nfs/dbraw/zinc/56/58/51/1128565851.db2.gz ZIUAXIZBNBMURI-KBXCAEBGSA-N 0 1 266.388 3.837 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](C2CC2)C2CCCC2)cc1Cl ZINC000567619804 1128568632 /nfs/dbraw/zinc/56/86/32/1128568632.db2.gz DORJCIFAVONESE-UHFFFAOYSA-N 0 1 293.794 3.945 20 0 CHADMN CN(Cc1ccoc1)C[C@@H](O)c1ccc2ccccc2c1 ZINC000918738501 1128569800 /nfs/dbraw/zinc/56/98/00/1128569800.db2.gz GGPKHTDTPNYRHS-GOSISDBHSA-N 0 1 281.355 3.598 20 0 CHADMN CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](CC(C)C)C(=O)[O-] ZINC000567742747 1128571414 /nfs/dbraw/zinc/57/14/14/1128571414.db2.gz SYZSNUBTTHEUQT-NSHDSACASA-N 0 1 289.828 3.723 20 0 CHADMN C[C@@H]1CN(Cc2ccc3occc3c2)CC2(CCC2)O1 ZINC000567905167 1128573815 /nfs/dbraw/zinc/57/38/15/1128573815.db2.gz IBOOYLRAVLYXBE-CYBMUJFWSA-N 0 1 271.360 3.576 20 0 CHADMN CC(C)C[C@@H]1CCCN1Cc1nc(-c2cccs2)no1 ZINC000130248921 1128574924 /nfs/dbraw/zinc/57/49/24/1128574924.db2.gz WSSUQTHHADMWPJ-LBPRGKRZSA-N 0 1 291.420 3.809 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000568060699 1128577192 /nfs/dbraw/zinc/57/71/92/1128577192.db2.gz KWQOXDRKQBECAT-ZDUSSCGKSA-N 0 1 267.394 3.530 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1CC1CCC(C)(C)CC1 ZINC000568290800 1128581988 /nfs/dbraw/zinc/58/19/88/1128581988.db2.gz SFUDPTWIRBRKMK-IPYPFGDCSA-N 0 1 281.440 3.776 20 0 CHADMN C[C@@H](Cc1ccsc1)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000570009676 1128614563 /nfs/dbraw/zinc/61/45/63/1128614563.db2.gz NSKNEPRFPXXJFV-LBPRGKRZSA-N 0 1 291.464 3.832 20 0 CHADMN CN(Cc1cnc(C2CCCC2)s1)[C@@H]1CCSC1 ZINC000130518594 1128584729 /nfs/dbraw/zinc/58/47/29/1128584729.db2.gz BHVRYSOABMMQHK-GFCCVEGCSA-N 0 1 282.478 3.738 20 0 CHADMN Cc1nnsc1CNC1(c2ccccc2)CCCCC1 ZINC000568517193 1128586452 /nfs/dbraw/zinc/58/64/52/1128586452.db2.gz BTNPQGGNJJJBSI-UHFFFAOYSA-N 0 1 287.432 3.796 20 0 CHADMN CCCC[C@@H](CC)CCNC(C)(C)c1nc(C)no1 ZINC000556409565 1128587250 /nfs/dbraw/zinc/58/72/50/1128587250.db2.gz FIEHEPGBFPMRHN-CYBMUJFWSA-N 0 1 267.417 3.809 20 0 CHADMN Cc1ccc2cc([C@H](C)NCc3n[nH]c(C4CC4)n3)oc2c1 ZINC000568840851 1128593313 /nfs/dbraw/zinc/59/33/13/1128593313.db2.gz AZYVJKQCAJUBGK-NSHDSACASA-N 0 1 296.374 3.588 20 0 CHADMN CC(C)CCc1ccc(NC(=O)c2c[nH]nc2C2CC2)nc1 ZINC000568956417 1128595133 /nfs/dbraw/zinc/59/51/33/1128595133.db2.gz PKOGUJARSIRRMJ-UHFFFAOYSA-N 0 1 298.390 3.523 20 0 CHADMN O=C([O-])CCC[N@H+](Cc1ccccc1)CC1=CCCCC1 ZINC000568992303 1128596011 /nfs/dbraw/zinc/59/60/11/1128596011.db2.gz CPIYNGDFRKZMCI-UHFFFAOYSA-N 0 1 287.403 3.854 20 0 CHADMN CC1(C)CCC[C@H](CN[C@@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000569071942 1128597853 /nfs/dbraw/zinc/59/78/53/1128597853.db2.gz AXMICABZXSLSGJ-GOEBONIOSA-N 0 1 298.434 3.700 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000569092546 1128598323 /nfs/dbraw/zinc/59/83/23/1128598323.db2.gz IKHJKWBHALSDSS-CYBMUJFWSA-N 0 1 295.810 3.644 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CCCC[C@@H]1C1CCC1 ZINC000649197538 1128608717 /nfs/dbraw/zinc/60/87/17/1128608717.db2.gz ORYFVDVQYPQPIH-CQSZACIVSA-N 0 1 293.794 3.840 20 0 CHADMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1c(Cl)cccc1C(=O)[O-] ZINC000569856932 1128610892 /nfs/dbraw/zinc/61/08/92/1128610892.db2.gz MGDKAZBDYVDFLF-MNOVXSKESA-N 0 1 281.783 3.659 20 0 CHADMN Cc1ccc(CN[C@H]2c3ccccc3O[C@@H]2C)cc1F ZINC000569883157 1128611573 /nfs/dbraw/zinc/61/15/73/1128611573.db2.gz DRZGTMJOTMSBOR-SJKOYZFVSA-N 0 1 271.335 3.746 20 0 CHADMN CCN(Cc1cnccn1)[C@@H](C)c1cc2ccccc2o1 ZINC000556773495 1128620945 /nfs/dbraw/zinc/62/09/45/1128620945.db2.gz YATMBPVKGGNVHU-ZDUSSCGKSA-N 0 1 281.359 3.806 20 0 CHADMN COc1ccc([C@H](C)NCc2cccc(C)n2)c(C)c1 ZINC000570379473 1128622697 /nfs/dbraw/zinc/62/26/97/1128622697.db2.gz PLMMPAMJRMREBS-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000570403982 1128622896 /nfs/dbraw/zinc/62/28/96/1128622896.db2.gz YISCVJBHACSXLK-MNOVXSKESA-N 0 1 281.783 3.659 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1CC2CCC1CC2 ZINC000556788200 1128623248 /nfs/dbraw/zinc/62/32/48/1128623248.db2.gz IMUUGCCXRSBYRL-ORHYLEIMSA-N 0 1 283.375 3.636 20 0 CHADMN COc1cc(C)cc(F)c1-c1ccc2[nH]c(C)nc2c1 ZINC001236220033 1128623317 /nfs/dbraw/zinc/62/33/17/1128623317.db2.gz ABAMMILTUWWJPJ-UHFFFAOYSA-N 0 1 270.307 3.994 20 0 CHADMN CCc1nocc1CN1CCC(c2ccccc2F)CC1 ZINC000556808304 1128625984 /nfs/dbraw/zinc/62/59/84/1128625984.db2.gz ZXLWHKJCSGLIAP-UHFFFAOYSA-N 0 1 288.366 3.756 20 0 CHADMN Cc1cc(CNc2nccn2CC(C)C)c(C)s1 ZINC000556810603 1128626845 /nfs/dbraw/zinc/62/68/45/1128626845.db2.gz XLLWUHXHHUCZQO-UHFFFAOYSA-N 0 1 263.410 3.830 20 0 CHADMN CN(CCOc1ccccc1)Cc1csc(Cl)c1 ZINC001142768787 1128630535 /nfs/dbraw/zinc/63/05/35/1128630535.db2.gz KOHHQVYODHIFGT-UHFFFAOYSA-N 0 1 281.808 3.912 20 0 CHADMN CCc1ccc([C@H]2CCN(Cc3nccs3)C2)cc1 ZINC000556883094 1128632672 /nfs/dbraw/zinc/63/26/72/1128632672.db2.gz PUXCIUPPGYIENC-HNNXBMFYSA-N 0 1 272.417 3.695 20 0 CHADMN CCc1ccc([C@@H]2CCN(Cc3cscn3)C2)cc1 ZINC000556884066 1128633455 /nfs/dbraw/zinc/63/34/55/1128633455.db2.gz KOXZAOAVNGYDCT-OAHLLOKOSA-N 0 1 272.417 3.695 20 0 CHADMN CC(C)[C@H]1CC[C@H]1NCc1cc(COC(C)(C)C)on1 ZINC000556893562 1128637061 /nfs/dbraw/zinc/63/70/61/1128637061.db2.gz VTOAJRIXHLYEBB-HUUCEWRRSA-N 0 1 280.412 3.514 20 0 CHADMN C[C@@H](N[C@@H]1CCCC12CCC2)c1nc(C(C)(C)C)no1 ZINC000571748168 1128639001 /nfs/dbraw/zinc/63/90/01/1128639001.db2.gz AAYOBVNYKWMFCT-VXGBXAGGSA-N 0 1 277.412 3.741 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCCC2(CCCCC2)CC1 ZINC000571810487 1128639122 /nfs/dbraw/zinc/63/91/22/1128639122.db2.gz KBQUAOPQGQUFRR-UHFFFAOYSA-N 0 1 291.391 3.914 20 0 CHADMN C[C@@H]1CCC[C@@H](N(C)Cc2nc(C3CCCC3)no2)C1 ZINC000132344361 1128647539 /nfs/dbraw/zinc/64/75/39/1128647539.db2.gz XWEKFXBDPSNWGR-TZMCWYRMSA-N 0 1 277.412 3.738 20 0 CHADMN C[N@@H+](CC1CCCCC1)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000572889417 1128648515 /nfs/dbraw/zinc/64/85/15/1128648515.db2.gz MYKCRJPDTQJVBL-OAHLLOKOSA-N 0 1 295.810 3.978 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CCN1Cc1cncc(F)c1 ZINC000572909479 1128649262 /nfs/dbraw/zinc/64/92/62/1128649262.db2.gz USSHVKYOEOKRHR-WMLDXEAASA-N 0 1 284.378 3.989 20 0 CHADMN C[C@@H]1CCC[C@@H](CCSc2nc(C3CC3)n[nH]2)C1 ZINC000556957275 1128651897 /nfs/dbraw/zinc/65/18/97/1128651897.db2.gz LPEBRFFXPCGKAV-MNOVXSKESA-N 0 1 265.426 3.991 20 0 CHADMN C[C@@H]1CCC[C@@H](CCSc2n[nH]c(C3CC3)n2)C1 ZINC000556957275 1128651898 /nfs/dbraw/zinc/65/18/98/1128651898.db2.gz LPEBRFFXPCGKAV-MNOVXSKESA-N 0 1 265.426 3.991 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccccc2)[C@H](CC)C1 ZINC000573379830 1128653791 /nfs/dbraw/zinc/65/37/91/1128653791.db2.gz SVGPBGMMLOFBPM-DJIMGWMZSA-N 0 1 289.419 3.755 20 0 CHADMN CC[C@H](c1ccccc1OC)N(C)Cc1ccc(C)nc1 ZINC000573844656 1128659116 /nfs/dbraw/zinc/65/91/16/1128659116.db2.gz BGVXCSDHIIVVJE-QGZVFWFLSA-N 0 1 284.403 3.982 20 0 CHADMN CCCN(CC(C)C)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000499191230 1128660199 /nfs/dbraw/zinc/66/01/99/1128660199.db2.gz JAFYJVNLQMHCED-UHFFFAOYSA-N 0 1 299.418 3.893 20 0 CHADMN CC[C@H]1CCCCCN1Cc1cnc(Cl)s1 ZINC000157682874 1128660482 /nfs/dbraw/zinc/66/04/82/1128660482.db2.gz OUBVAVZDLUVCIE-JTQLQIEISA-N 0 1 258.818 3.951 20 0 CHADMN CC(C)(C)Cc1nnc(-c2ccc(Cl)cc2O)o1 ZINC001257893175 1128665021 /nfs/dbraw/zinc/66/50/21/1128665021.db2.gz KCSPZUQVYLOWHZ-UHFFFAOYSA-N 0 1 266.728 3.684 20 0 CHADMN COc1cc([C@H](C)N[C@H]2CCCOc3ccccc32)ccn1 ZINC000574926875 1128665169 /nfs/dbraw/zinc/66/51/69/1128665169.db2.gz PROOTAQTCAYKIS-BBRMVZONSA-N 0 1 298.386 3.655 20 0 CHADMN CCCCCN1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000499246734 1128665417 /nfs/dbraw/zinc/66/54/17/1128665417.db2.gz GBGIPKIKWMYWQI-OAHLLOKOSA-N 0 1 299.361 3.852 20 0 CHADMN O=C(O[C@H]1CCCc2ccccc21)c1[nH]nc2c1CCCC2 ZINC000920127779 1128666702 /nfs/dbraw/zinc/66/67/02/1128666702.db2.gz VJLJUUNVSUUIFJ-INIZCTEOSA-N 0 1 296.370 3.523 20 0 CHADMN Cc1ccc(F)cc1CN1CCC(F)(F)[C@H](C)C1 ZINC000574122442 1128662232 /nfs/dbraw/zinc/66/22/32/1128662232.db2.gz UVJUMRMOHIDNAD-LLVKDONJSA-N 0 1 257.299 3.611 20 0 CHADMN N#C/C(=C/c1ccc(O)c(F)c1)C(=O)C1CCCCC1 ZINC000158866586 1128672210 /nfs/dbraw/zinc/67/22/10/1128672210.db2.gz GONPZAKTMISJRR-JYRVWZFOSA-N 0 1 273.307 3.588 20 0 CHADMN CCCN[C@@H](C)c1nc(C2CCCCCCC2)no1 ZINC000159154658 1128675435 /nfs/dbraw/zinc/67/54/35/1128675435.db2.gz KGHVTLYOYLRNDV-LBPRGKRZSA-N 0 1 265.401 3.958 20 0 CHADMN CCC[C@@H](NCc1cnc(Cl)cn1)c1ccccc1 ZINC000799156623 1128676454 /nfs/dbraw/zinc/67/64/54/1128676454.db2.gz WOVWOYWOWWCJCK-CQSZACIVSA-N 0 1 275.783 3.761 20 0 CHADMN CC[C@@H]1CN(CCCOc2ccc(C)c(C)c2)C[C@H](C)O1 ZINC000600700808 1128678914 /nfs/dbraw/zinc/67/89/14/1128678914.db2.gz IMOJIFQRFCINTD-DLBZAZTESA-N 0 1 291.435 3.572 20 0 CHADMN CC[C@@H](N[C@H](C)c1c[nH]nc1C)c1ccccc1OC ZINC000779014314 1128679058 /nfs/dbraw/zinc/67/90/58/1128679058.db2.gz ODOINXBMVLPBEW-IAQYHMDHSA-N 0 1 273.380 3.529 20 0 CHADMN CCCC=CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000920445682 1128681819 /nfs/dbraw/zinc/68/18/19/1128681819.db2.gz AYDOGBZESYVCLU-BDJZEXMMSA-N 0 1 285.391 3.733 20 0 CHADMN Cc1cc(CN[C@@H](c2cc3ccccc3o2)C(C)C)[nH]n1 ZINC000600810280 1128682455 /nfs/dbraw/zinc/68/24/55/1128682455.db2.gz CHRJTCJQLPGXSH-QGZVFWFLSA-N 0 1 283.375 3.951 20 0 CHADMN CCc1ccc(CN(CCC(F)(F)F)CC2CC2)nc1 ZINC000577773021 1128688438 /nfs/dbraw/zinc/68/84/38/1128688438.db2.gz CJUMTOMPQBATCE-UHFFFAOYSA-N 0 1 286.341 3.808 20 0 CHADMN C[C@@H](c1ccccc1)N1CCN([C@@H](C)c2ccccn2)CC1 ZINC000159404326 1128688618 /nfs/dbraw/zinc/68/86/18/1128688618.db2.gz YADVWEFVLNQSKP-IRXDYDNUSA-N 0 1 295.430 3.521 20 0 CHADMN Cc1nnsc1[C@@H](C)N[C@H](c1ccccc1)C(C)C ZINC000929200101 1128694229 /nfs/dbraw/zinc/69/42/29/1128694229.db2.gz DYEHWFTYBGPMPV-RISCZKNCSA-N 0 1 275.421 3.894 20 0 CHADMN Cc1cnc([C@@H](C)N[C@@H]2C[C@@H]2c2ccccc2)s1 ZINC000411540948 1128703992 /nfs/dbraw/zinc/70/39/92/1128703992.db2.gz NWLZYRDZWNFRKF-MRVWCRGKSA-N 0 1 258.390 3.658 20 0 CHADMN Cc1ccccc1CNCc1nccc2c1CCCC2 ZINC000921487509 1128709774 /nfs/dbraw/zinc/70/97/74/1128709774.db2.gz NGZARWADJXEERX-UHFFFAOYSA-N 0 1 266.388 3.559 20 0 CHADMN Cc1ccccc1-c1cnc(CN(C)C(C)(C)C)o1 ZINC000578190374 1128710634 /nfs/dbraw/zinc/71/06/34/1128710634.db2.gz FHPSUDFQAGQELX-UHFFFAOYSA-N 0 1 258.365 3.880 20 0 CHADMN CSCc1cccc(NC(=O)c2cn[nH]c2C(C)C)c1 ZINC000578423087 1128717930 /nfs/dbraw/zinc/71/79/30/1128717930.db2.gz HLENFZKIUQICKE-UHFFFAOYSA-N 0 1 289.404 3.648 20 0 CHADMN CN(Cc1nnc(C2CC2)o1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000578506828 1128719189 /nfs/dbraw/zinc/71/91/89/1128719189.db2.gz MBACDYUJVSEXCM-OLZOCXBDSA-N 0 1 277.412 3.594 20 0 CHADMN CCOCC(C)(C)NCc1coc(-c2ccc(C)cc2)n1 ZINC000578555885 1128721183 /nfs/dbraw/zinc/72/11/83/1128721183.db2.gz XUFKCKJKEMGQGM-UHFFFAOYSA-N 0 1 288.391 3.555 20 0 CHADMN CC(C)[C@@H](CSc1ccccc1)NCc1ccon1 ZINC000779078232 1128721934 /nfs/dbraw/zinc/72/19/34/1128721934.db2.gz QPDMXXMMNHPTGZ-OAHLLOKOSA-N 0 1 276.405 3.581 20 0 CHADMN C[C@@H](NCc1cc2c(c(Cl)c1)OCO2)c1ccsc1 ZINC000061361106 1117746629 /nfs/dbraw/zinc/74/66/29/1117746629.db2.gz VBOSRUHLOURCSF-SECBINFHSA-N 0 1 295.791 3.981 20 0 CHADMN CC[C@H]1CN(CC)CCN1C(=O)C[C@H](C)C1CCCCC1 ZINC000622651288 1117753156 /nfs/dbraw/zinc/75/31/56/1117753156.db2.gz ALIHUCYJTHYOFX-RDJZCZTQSA-N 0 1 294.483 3.536 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)C[C@H]1CCCCO1 ZINC000339313953 1117753263 /nfs/dbraw/zinc/75/32/63/1117753263.db2.gz AUWYIGKJSLEYNU-DGCLKSJQSA-N 0 1 269.335 3.527 20 0 CHADMN Cc1cccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])n1 ZINC000185085914 1117759932 /nfs/dbraw/zinc/75/99/32/1117759932.db2.gz SEUAXKLNHJDHGO-NSHDSACASA-N 0 1 276.767 3.600 20 0 CHADMN Cc1cc2c(cn1)CN(C[C@H](C)c1ccccc1)C2 ZINC001207911941 1117761980 /nfs/dbraw/zinc/76/19/80/1117761980.db2.gz LMBCLZGLUUDTLO-ZDUSSCGKSA-N 0 1 252.361 3.509 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2[C@H](C)CCC[C@@H]2C)c(C)c1 ZINC000003153790 1117763423 /nfs/dbraw/zinc/76/34/23/1117763423.db2.gz OEEURYQNJMVJOP-IYBDPMFKSA-N 0 1 288.435 3.813 20 0 CHADMN CCc1nocc1CN[C@@H]1CCCc2ccc(F)cc21 ZINC000339378086 1117765543 /nfs/dbraw/zinc/76/55/43/1117765543.db2.gz KSIUAGAODPDYSQ-MRXNPFEDSA-N 0 1 274.339 3.543 20 0 CHADMN Cc1ccoc1CN(C)Cc1cc(C)c(O)c(C)c1 ZINC000430140695 1117766097 /nfs/dbraw/zinc/76/60/97/1117766097.db2.gz UZTQLEAXXWBSKF-UHFFFAOYSA-N 0 1 259.349 3.542 20 0 CHADMN c1cc2c(o1)CCN(Cc1ccccc1C1CC1)C2 ZINC001139883233 1117775163 /nfs/dbraw/zinc/77/51/63/1117775163.db2.gz IXNYVSWSHSCSLA-UHFFFAOYSA-N 0 1 253.345 3.715 20 0 CHADMN FCC1(CF)CC(Nc2ccc3cnccc3c2)C1 ZINC000668229856 1117781203 /nfs/dbraw/zinc/78/12/03/1117781203.db2.gz WBUDVVXHDGWYQD-UHFFFAOYSA-N 0 1 262.303 3.735 20 0 CHADMN C[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CCC1(F)F ZINC000579766685 1117784746 /nfs/dbraw/zinc/78/47/46/1117784746.db2.gz CZLUMISFDMFKOL-QMTHXVAHSA-N 0 1 269.310 3.790 20 0 CHADMN CC[C@@H](OCCNCc1ccco1)c1ccccc1 ZINC000403165091 1117787335 /nfs/dbraw/zinc/78/73/35/1117787335.db2.gz HVMBWPJEGWXVPB-MRXNPFEDSA-N 0 1 259.349 3.537 20 0 CHADMN C(=C\c1ccccc1)\CN1CCN(Cc2cccs2)CC1 ZINC000034876825 1117789196 /nfs/dbraw/zinc/78/91/96/1117789196.db2.gz UWVCLNKRZJMHLH-YWEYNIOJSA-N 0 1 298.455 3.579 20 0 CHADMN CC[C@H](CN(CC)Cn1cc[nH]c1=S)c1ccccc1 ZINC000185215340 1117790615 /nfs/dbraw/zinc/79/06/15/1117790615.db2.gz JLVWIUGOONHJCQ-CQSZACIVSA-N 0 1 289.448 3.645 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)[C@H]2CCCC[C@@H]12 ZINC000579790856 1117805215 /nfs/dbraw/zinc/80/52/15/1117805215.db2.gz CFONVSPXLMXPRK-RDBSUJKOSA-N 0 1 290.455 3.503 20 0 CHADMN Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cc2cccnc2o1 ZINC000579795408 1117805917 /nfs/dbraw/zinc/80/59/17/1117805917.db2.gz UBOBEORMJCAYRI-OAHLLOKOSA-N 0 1 296.374 3.505 20 0 CHADMN C[C@H]([NH2+]Cc1cccc(O)c1)c1cc(Cl)ccc1[O-] ZINC000185300001 1117807024 /nfs/dbraw/zinc/80/70/24/1117807024.db2.gz XDDMFMPTHSHPAP-JTQLQIEISA-N 0 1 277.751 3.602 20 0 CHADMN C[C@@H]1CC2(CCC2)C[N@H+]1CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000579016733 1128736277 /nfs/dbraw/zinc/73/62/77/1128736277.db2.gz ZHUHVEHUWPMDHL-GDBMZVCRSA-N 0 1 287.403 3.509 20 0 CHADMN C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000185327724 1117811439 /nfs/dbraw/zinc/81/14/39/1117811439.db2.gz NJZWDMLQTWVIHB-BZNIZROVSA-N 0 1 297.826 3.637 20 0 CHADMN CCN(CCO[C@H]1CCCC[C@@H]1C)CCC(F)(F)F ZINC000623120681 1117815530 /nfs/dbraw/zinc/81/55/30/1117815530.db2.gz HCCPFBHREMABEZ-STQMWFEESA-N 0 1 281.362 3.856 20 0 CHADMN CCc1nc(CN[C@H](C)c2cc(Cl)ccc2O)cs1 ZINC000185397029 1117819441 /nfs/dbraw/zinc/81/94/41/1117819441.db2.gz URLPEPDATIZTBL-SECBINFHSA-N 0 1 296.823 3.915 20 0 CHADMN CC[C@@H](C)CN(C)Cc1ccc(Cl)nc1Cl ZINC000233831999 1128737359 /nfs/dbraw/zinc/73/73/59/1128737359.db2.gz DQVSUVVTISZMNL-SECBINFHSA-N 0 1 261.196 3.866 20 0 CHADMN Cc1cc(CN2CCC(F)(F)[C@@H](C)C2)cc(C)c1F ZINC001143373781 1117833671 /nfs/dbraw/zinc/83/36/71/1117833671.db2.gz ACZSRHYVNKTPLS-LBPRGKRZSA-N 0 1 271.326 3.920 20 0 CHADMN Cc1noc(C)c1C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000361576941 1117837129 /nfs/dbraw/zinc/83/71/29/1117837129.db2.gz KBOWRBWQHGGGQM-OLZOCXBDSA-N 0 1 290.329 3.844 20 0 CHADMN Cc1noc(C)c1CN(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000361576941 1117837135 /nfs/dbraw/zinc/83/71/35/1117837135.db2.gz KBOWRBWQHGGGQM-OLZOCXBDSA-N 0 1 290.329 3.844 20 0 CHADMN Cc1cc(Cl)c(Cl)cc1CN1CC[C@@](C)(CO)C1 ZINC001238263512 1117840261 /nfs/dbraw/zinc/84/02/61/1117840261.db2.gz PEKPVZHGCIVFDD-CQSZACIVSA-N 0 1 288.218 3.506 20 0 CHADMN C[C@@H](CN1CCSC[C@H]1c1nccs1)C(C)(C)C ZINC000670269325 1117849587 /nfs/dbraw/zinc/84/95/87/1117849587.db2.gz RQABHCPJFMXFIU-RYUDHWBXSA-N 0 1 284.494 3.915 20 0 CHADMN CSCc1cnc(CNc2cc3c(cn2)CCC3)s1 ZINC000339553143 1117850918 /nfs/dbraw/zinc/85/09/18/1117850918.db2.gz FNLWSRNSMYTWET-UHFFFAOYSA-N 0 1 291.445 3.502 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccncc1Cl)CC2 ZINC000623408388 1117850969 /nfs/dbraw/zinc/85/09/69/1117850969.db2.gz UMBJKIZCMUXSPK-MRXNPFEDSA-N 0 1 272.779 3.821 20 0 CHADMN Fc1ccc(CNc2cc3c(cn2)CCC3)c2ncccc12 ZINC000339555527 1117851593 /nfs/dbraw/zinc/85/15/93/1117851593.db2.gz PUJIULYACHJOHE-UHFFFAOYSA-N 0 1 293.345 3.870 20 0 CHADMN COc1ccc2oc(CNc3cc4c(cn3)CCC4)cc2c1 ZINC000339555355 1117852129 /nfs/dbraw/zinc/85/21/29/1117852129.db2.gz NMAZVNVDTBZKRE-UHFFFAOYSA-N 0 1 294.354 3.937 20 0 CHADMN Cc1cc(CN2CCC[C@](C)(O)[C@H](C)C2)c(F)cc1Cl ZINC001238301018 1117856581 /nfs/dbraw/zinc/85/65/81/1117856581.db2.gz VTAGHGMLXMDBCP-WBMJQRKESA-N 0 1 299.817 3.770 20 0 CHADMN COCC[C@@H](NCc1ccc2cc[nH]c2c1)c1ccco1 ZINC000623487480 1117862183 /nfs/dbraw/zinc/86/21/83/1117862183.db2.gz DCVCIAZSKVAQDD-OAHLLOKOSA-N 0 1 284.359 3.628 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NC/C=C/c1ccccc1 ZINC000073007048 1117863528 /nfs/dbraw/zinc/86/35/28/1117863528.db2.gz FKQYJPBXSDKIES-OFFHKIPUSA-N 0 1 256.349 3.655 20 0 CHADMN CCSCCN1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000610213074 1117876920 /nfs/dbraw/zinc/87/69/20/1117876920.db2.gz KAGQFHZYYIJBRI-UHFFFAOYSA-N 0 1 274.433 3.588 20 0 CHADMN CO[C@H](CNCc1ncc(C)s1)c1ccccc1Cl ZINC000648483360 1117876999 /nfs/dbraw/zinc/87/69/99/1117876999.db2.gz ZWHRFYJOLPOMFY-CYBMUJFWSA-N 0 1 296.823 3.582 20 0 CHADMN CCC[C@@H](CNCc1coc(-c2ccccc2)n1)OCC ZINC000623598780 1117877110 /nfs/dbraw/zinc/87/71/10/1117877110.db2.gz NFCLBWOWZJISPU-INIZCTEOSA-N 0 1 288.391 3.636 20 0 CHADMN CCC[N@@H+](Cc1sccc1OC)Cc1ccccc1O ZINC000092704972 1117883403 /nfs/dbraw/zinc/88/34/03/1117883403.db2.gz PWDIJDYJOUWUOV-UHFFFAOYSA-N 0 1 291.416 3.875 20 0 CHADMN Cc1oc([C@H](C)[N@H+]2CCC[C@H]2c2ccco2)cc1C(=O)[O-] ZINC000579240115 1128741884 /nfs/dbraw/zinc/74/18/84/1128741884.db2.gz BFHBVXLPMSWABF-GWCFXTLKSA-N 0 1 289.331 3.777 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN(C)CCC(C)C ZINC000097493235 1117896127 /nfs/dbraw/zinc/89/61/27/1117896127.db2.gz YABLKPHFXUWXOJ-UHFFFAOYSA-N 0 1 282.815 3.565 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@H]1CC(C)(C)Cc2occc21 ZINC000178717805 1117896193 /nfs/dbraw/zinc/89/61/93/1117896193.db2.gz QKKSSKUKIHZTKZ-NHYWBVRUSA-N 0 1 287.407 3.686 20 0 CHADMN Cc1cc(COc2ccccc2-c2nnc[nH]2)c(C)s1 ZINC000178927054 1117898512 /nfs/dbraw/zinc/89/85/12/1117898512.db2.gz BQZLAYOHBIRDEW-UHFFFAOYSA-N 0 1 285.372 3.729 20 0 CHADMN CCCC[C@H](C)c1nc(-c2ccn3cncc3c2)no1 ZINC000350308964 1117907125 /nfs/dbraw/zinc/90/71/25/1117907125.db2.gz PKIDTCGFTQWMRQ-NSHDSACASA-N 0 1 270.336 3.678 20 0 CHADMN CCC(C)(C)CC[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000579844307 1117907562 /nfs/dbraw/zinc/90/75/62/1117907562.db2.gz SUMUMRUDZLPHRH-UHFFFAOYSA-N 0 1 275.392 3.569 20 0 CHADMN C[C@H]1CCC[C@H]1CC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000615283460 1128743173 /nfs/dbraw/zinc/74/31/73/1128743173.db2.gz VTPJXCGHAFUATQ-AAEUAGOBSA-N 0 1 299.374 3.547 20 0 CHADMN COC(C)(C)[C@H](C)NCc1ncc(-c2ccc(C)cc2)o1 ZINC000932368481 1117908606 /nfs/dbraw/zinc/90/86/06/1117908606.db2.gz GOEGUTNNSKHKSZ-ZDUSSCGKSA-N 0 1 288.391 3.553 20 0 CHADMN Cc1ccc(CNCc2nccc3c2CCCC3)cc1F ZINC000921505569 1117920410 /nfs/dbraw/zinc/92/04/10/1117920410.db2.gz PWKFEUGGQNGITL-UHFFFAOYSA-N 0 1 284.378 3.698 20 0 CHADMN Cc1ccc(CN(C)Cc2cn(C)nc2C(C)(C)C)s1 ZINC000180036326 1117921108 /nfs/dbraw/zinc/92/11/08/1117921108.db2.gz WLPIWIIJMYCUAP-UHFFFAOYSA-N 0 1 291.464 3.720 20 0 CHADMN CC[C@@H]1CCC[C@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000351105286 1117926911 /nfs/dbraw/zinc/92/69/11/1117926911.db2.gz ASNZJZJGGWOLFG-BXUZGUMPSA-N 0 1 282.347 3.678 20 0 CHADMN CC[C@H]1CCC[C@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000351105289 1117926926 /nfs/dbraw/zinc/92/69/26/1117926926.db2.gz ASNZJZJGGWOLFG-SMDDNHRTSA-N 0 1 282.347 3.678 20 0 CHADMN O=C(c1ccc2cncn2c1)N1CCC[C@H]1CC1CCCC1 ZINC000655364058 1117942501 /nfs/dbraw/zinc/94/25/01/1117942501.db2.gz YHFFYKAVTJPENP-INIZCTEOSA-N 0 1 297.402 3.519 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cccc(F)n1)[C@H](C)C2 ZINC000779135163 1128745723 /nfs/dbraw/zinc/74/57/23/1128745723.db2.gz ACGYLBITEVNZET-PXAZEXFGSA-N 0 1 270.351 3.552 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N(C)Cc1nccc(C)n1 ZINC000339660590 1117949976 /nfs/dbraw/zinc/94/99/76/1117949976.db2.gz ICOOPNDOILWASQ-QGZVFWFLSA-N 0 1 283.419 3.547 20 0 CHADMN Cc1csc([C@@H](C)NC[C@H](C)Oc2ccc(C)cc2)n1 ZINC000623899519 1117951081 /nfs/dbraw/zinc/95/10/81/1117951081.db2.gz KMGWQQRHCAFSPB-UONOGXRCSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1csc([C@H](C)NC[C@H](C)Oc2ccccc2C)n1 ZINC000623899823 1117951171 /nfs/dbraw/zinc/95/11/71/1117951171.db2.gz UJGLOAWMVBAOGT-KBPBESRZSA-N 0 1 290.432 3.878 20 0 CHADMN CCc1cc(NC(=O)c2cccc3nc(C)[nH]c32)ccc1C ZINC000579379560 1128746299 /nfs/dbraw/zinc/74/62/99/1128746299.db2.gz YLTNGWKVQAMRPL-UHFFFAOYSA-N 0 1 293.370 3.994 20 0 CHADMN CSc1ncc2c(n1)CN(CC1(C)CCCCC1)CC2 ZINC001208902028 1117959699 /nfs/dbraw/zinc/95/96/99/1117959699.db2.gz FUUMYVSWPWXCRV-UHFFFAOYSA-N 0 1 291.464 3.527 20 0 CHADMN CCCCCCCN1CCC(C(=O)C(F)(F)F)CC1 ZINC000186002895 1117960212 /nfs/dbraw/zinc/96/02/12/1117960212.db2.gz QUASDZWAWROFLQ-UHFFFAOYSA-N 0 1 279.346 3.800 20 0 CHADMN CCC[C@@H](C)N(C)Cc1ccn(C(CC)CC)n1 ZINC000533459869 1117961401 /nfs/dbraw/zinc/96/14/01/1117961401.db2.gz BBFKJPXIXFRTIL-CYBMUJFWSA-N 0 1 251.418 3.865 20 0 CHADMN FC(F)(F)c1ccccc1CN1CC(C2CCOCC2)C1 ZINC000669715307 1117961725 /nfs/dbraw/zinc/96/17/25/1117961725.db2.gz CNYJKKRVLSCJRP-UHFFFAOYSA-N 0 1 299.336 3.564 20 0 CHADMN CC1(C)C[N@@H+](Cc2nccn2-c2ccccc2)[C@H]2CCC[C@H]21 ZINC000339710203 1117963276 /nfs/dbraw/zinc/96/32/76/1117963276.db2.gz HKRRLQLYYFOPAO-SJORKVTESA-N 0 1 295.430 3.883 20 0 CHADMN CO[C@H](C)c1nc(CN2CC(C)(C)[C@@H]3CCC[C@H]32)cs1 ZINC000339709176 1117964481 /nfs/dbraw/zinc/96/44/81/1117964481.db2.gz CEZHAWRJSBDOMI-MRVWCRGKSA-N 0 1 294.464 3.861 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000430269272 1117966382 /nfs/dbraw/zinc/96/63/82/1117966382.db2.gz QETZHBVRUBQBIN-CYBMUJFWSA-N 0 1 268.360 3.740 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCCc2scnc21 ZINC000624006834 1117969489 /nfs/dbraw/zinc/96/94/89/1117969489.db2.gz GHDQKLOZPGDMBH-RRFJBIMHSA-N 0 1 284.428 3.975 20 0 CHADMN COC[C@H](CC(C)(C)C)N[C@@H]1CCCc2scnc21 ZINC000624009033 1117969603 /nfs/dbraw/zinc/96/96/03/1117969603.db2.gz NRFRTANFYOPOAG-NWDGAFQWSA-N 0 1 282.453 3.561 20 0 CHADMN Cc1cccc(NC(=O)[C@@H](C)N2CC(C)=C[C@H](C)C2)c1C ZINC000430269796 1117970375 /nfs/dbraw/zinc/97/03/75/1117970375.db2.gz SIAUJILWRPKEFI-BLLLJJGKSA-N 0 1 286.419 3.528 20 0 CHADMN CO[C@@H](CN[C@@H]1CCCc2scnc21)C1CCCCC1 ZINC000624016501 1117971511 /nfs/dbraw/zinc/97/15/11/1117971511.db2.gz YNKLVXDPUKGEDY-KGLIPLIRSA-N 0 1 294.464 3.705 20 0 CHADMN FC(F)[C@H](CCc1ccccc1)NCC[C@H]1CCCOC1 ZINC000624036425 1117973616 /nfs/dbraw/zinc/97/36/16/1117973616.db2.gz LSWMCIHEIXXWJU-CVEARBPZSA-N 0 1 297.389 3.659 20 0 CHADMN Cc1ncccc1CN[C@@H]1CCSc2c(F)cccc21 ZINC000237615491 1128747555 /nfs/dbraw/zinc/74/75/55/1128747555.db2.gz JICYQRZSKHUHMU-OAHLLOKOSA-N 0 1 288.391 3.856 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N2CC(C)=C[C@H](C)C2)cc1C ZINC000430276920 1117983313 /nfs/dbraw/zinc/98/33/13/1117983313.db2.gz DQSDWWYGFDRSDH-BLLLJJGKSA-N 0 1 286.419 3.528 20 0 CHADMN Fc1cccc([C@@H]2CCCN2CCCOC(F)(F)F)c1 ZINC001167094138 1117983413 /nfs/dbraw/zinc/98/34/13/1117983413.db2.gz FHSZUGCKZONIKQ-ZDUSSCGKSA-N 0 1 291.288 3.889 20 0 CHADMN CC1=C[C@@H](C)CN([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000430277889 1117986906 /nfs/dbraw/zinc/98/69/06/1117986906.db2.gz OQQZJQMGEMCFDY-DGCLKSJQSA-N 0 1 292.810 3.565 20 0 CHADMN CCC(F)(F)CN[C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000624148090 1117988926 /nfs/dbraw/zinc/98/89/26/1117988926.db2.gz VALJVOWTYAZSGQ-HNNXBMFYSA-N 0 1 283.362 3.651 20 0 CHADMN CCC(F)(F)CN[C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000624148924 1117990223 /nfs/dbraw/zinc/99/02/23/1117990223.db2.gz RHWUVYJMTVPNDI-KCPJHIHWSA-N 0 1 283.362 3.822 20 0 CHADMN CN(CC1CCCCC1)c1nc2[nH]cnc2cc1Cl ZINC001167096923 1117995262 /nfs/dbraw/zinc/99/52/62/1117995262.db2.gz MIDDHMIXUYDNGP-UHFFFAOYSA-N 0 1 278.787 3.628 20 0 CHADMN Fc1ccc(CCN2CC(c3cccnc3)C2)c(Cl)c1 ZINC001209114816 1117998092 /nfs/dbraw/zinc/99/80/92/1117998092.db2.gz SQWSUUFUXVQHDU-UHFFFAOYSA-N 0 1 290.769 3.516 20 0 CHADMN Fc1cc(F)cc(CCN2CC[C@@H](F)C(F)(F)CC2)c1 ZINC001209127919 1118000198 /nfs/dbraw/zinc/00/01/98/1118000198.db2.gz IUFKXJOEIDRFFP-CYBMUJFWSA-N 0 1 293.279 3.577 20 0 CHADMN CCCCN1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000060101069 1118000297 /nfs/dbraw/zinc/00/02/97/1118000297.db2.gz DTSWUBOUOAMQPB-AWEZNQCLSA-N 0 1 298.224 3.623 20 0 CHADMN CCN(C(=O)c1cc(F)cc2[nH]cnc21)c1cccc(C)c1 ZINC000343002512 1118002792 /nfs/dbraw/zinc/00/27/92/1118002792.db2.gz KDFMPZJFPCILSP-UHFFFAOYSA-N 0 1 297.333 3.677 20 0 CHADMN Cc1cccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)c1F ZINC000181758918 1118006099 /nfs/dbraw/zinc/00/60/99/1118006099.db2.gz UCQVXLHJJDNTOV-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN CCCCO[C@@H]1C[C@H](NCc2ncc(C)s2)C1(C)C ZINC000181825580 1118007478 /nfs/dbraw/zinc/00/74/78/1118007478.db2.gz LJDXXDGXSDBLMV-QWHCGFSZSA-N 0 1 282.453 3.525 20 0 CHADMN CCc1nnc(SCCCc2ccccc2Cl)[nH]1 ZINC000181968124 1118009990 /nfs/dbraw/zinc/00/99/90/1118009990.db2.gz MNNLZHHMYVTCPA-UHFFFAOYSA-N 0 1 281.812 3.745 20 0 CHADMN CCc1n[nH]c(SCCCc2ccccc2Cl)n1 ZINC000181968124 1118009995 /nfs/dbraw/zinc/00/99/95/1118009995.db2.gz MNNLZHHMYVTCPA-UHFFFAOYSA-N 0 1 281.812 3.745 20 0 CHADMN CO[C@@H](C)c1noc(CN(CC(C)(C)C)CC(C)(C)C)n1 ZINC000182079415 1118013682 /nfs/dbraw/zinc/01/36/82/1118013682.db2.gz MDZJXWRUIDBERX-LBPRGKRZSA-N 0 1 297.443 3.671 20 0 CHADMN CC(C)C[C@@H](C)N(C)Cc1nc(-c2cccs2)no1 ZINC000045769861 1118014180 /nfs/dbraw/zinc/01/41/80/1118014180.db2.gz LMBHLDLSTPROGA-LLVKDONJSA-N 0 1 279.409 3.665 20 0 CHADMN CC(C)CCOCCN(C)[C@@H](C)c1ccccc1F ZINC000615456406 1128749825 /nfs/dbraw/zinc/74/98/25/1128749825.db2.gz IUFXPFXDKXCUIH-AWEZNQCLSA-N 0 1 267.388 3.881 20 0 CHADMN C[C@@H](N[C@H]1CCCc2ccc(Cl)cc21)c1ccncn1 ZINC000624221048 1118017437 /nfs/dbraw/zinc/01/74/37/1118017437.db2.gz MKVNWSPIWHWRKZ-BZNIZROVSA-N 0 1 287.794 3.858 20 0 CHADMN Cc1cc(F)ccc1CN(Cc1ccncc1)C1CC1 ZINC000182269336 1118018063 /nfs/dbraw/zinc/01/80/63/1118018063.db2.gz FCRBXWWRTYUOEF-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN CC[C@@H](NCc1cncc(C)c1)c1cc(F)ccc1OC ZINC000932470755 1118018260 /nfs/dbraw/zinc/01/82/60/1118018260.db2.gz BZKPKQNKDOOAPU-MRXNPFEDSA-N 0 1 288.366 3.779 20 0 CHADMN C[C@@H]1CCCCN1Cc1coc(-c2cccc(F)c2)n1 ZINC000045822821 1118021089 /nfs/dbraw/zinc/02/10/89/1118021089.db2.gz SSJFYOJTVQSTRO-GFCCVEGCSA-N 0 1 274.339 3.855 20 0 CHADMN COc1ccccc1[C@H](C)N(C)c1cc(C)c(C)cn1 ZINC001167107812 1118023193 /nfs/dbraw/zinc/02/31/93/1118023193.db2.gz ZGYBQGDWXZEEHX-AWEZNQCLSA-N 0 1 270.376 3.904 20 0 CHADMN FC[C@@H]1CCC[N@@H+](CCc2ccccc2C(F)(F)F)C1 ZINC001209282761 1118023626 /nfs/dbraw/zinc/02/36/26/1118023626.db2.gz JEKXTZVYYPIVEY-LBPRGKRZSA-N 0 1 289.316 3.929 20 0 CHADMN CN(Cc1cc2ccccc2s1)Cc1cccnc1 ZINC000182567341 1118024246 /nfs/dbraw/zinc/02/42/46/1118024246.db2.gz JRHODXAGXVVRSC-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN O=C(Nc1ccc2ccoc2c1)c1cc(F)cc2[nH]cnc21 ZINC000442925529 1118025121 /nfs/dbraw/zinc/02/51/21/1118025121.db2.gz MXMIAKWRQMVWGE-UHFFFAOYSA-N 0 1 295.273 3.701 20 0 CHADMN COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1Cl ZINC001204437464 1118026764 /nfs/dbraw/zinc/02/67/64/1118026764.db2.gz WKLNHFGZOCALPH-CQSZACIVSA-N 0 1 285.790 3.869 20 0 CHADMN CC(C)CC[C@H](NCc1ccc[nH]c1=O)c1ccoc1 ZINC000624259279 1118031938 /nfs/dbraw/zinc/03/19/38/1118031938.db2.gz HNYDBFJQCDMSDM-HNNXBMFYSA-N 0 1 274.364 3.647 20 0 CHADMN CC[C@@H](NCc1ccc[nH]c1=O)c1cccc(Cl)c1F ZINC000624259914 1118033095 /nfs/dbraw/zinc/03/30/95/1118033095.db2.gz ZQCFSKGUYRDQLT-CYBMUJFWSA-N 0 1 294.757 3.821 20 0 CHADMN CC(C)Cn1cc(CN(C)[C@H](C)c2ccc(F)cc2)cn1 ZINC000183005160 1118034584 /nfs/dbraw/zinc/03/45/84/1118034584.db2.gz YYCVEYKZPDWPDD-CQSZACIVSA-N 0 1 289.398 3.871 20 0 CHADMN CC[C@H]1CCC[C@@H](CN(C)Cc2cc(C)on2)C1 ZINC000182999866 1118034832 /nfs/dbraw/zinc/03/48/32/1118034832.db2.gz VLVHUTHXGAOFFO-UONOGXRCSA-N 0 1 250.386 3.631 20 0 CHADMN C[C@H](CCc1cccc(F)c1)N(C)Cc1cscn1 ZINC000183185030 1118040694 /nfs/dbraw/zinc/04/06/94/1118040694.db2.gz QTMGMJWQAPYFSJ-GFCCVEGCSA-N 0 1 278.396 3.735 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(Br)o2)C1 ZINC000306273053 1118044584 /nfs/dbraw/zinc/04/45/84/1118044584.db2.gz ZKKKOBLFWXQOJX-AOOOYVTPSA-N 0 1 272.186 3.520 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2ccc(Br)o2)C1 ZINC000306273053 1118044590 /nfs/dbraw/zinc/04/45/90/1118044590.db2.gz ZKKKOBLFWXQOJX-AOOOYVTPSA-N 0 1 272.186 3.520 20 0 CHADMN CC(C)C(C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1)C(C)C ZINC000901745048 1118051675 /nfs/dbraw/zinc/05/16/75/1118051675.db2.gz OSIVPDAFKDQGHP-UHFFFAOYSA-N 0 1 289.419 3.671 20 0 CHADMN O=C(Nc1nc(C2CCC2)n[nH]1)c1csc2ccccc12 ZINC000184615964 1118055904 /nfs/dbraw/zinc/05/59/04/1118055904.db2.gz VKBUKFVZZQZCCQ-UHFFFAOYSA-N 0 1 298.371 3.539 20 0 CHADMN O=C(Nc1n[nH]c(C2CCC2)n1)c1csc2ccccc12 ZINC000184615964 1118055908 /nfs/dbraw/zinc/05/59/08/1118055908.db2.gz VKBUKFVZZQZCCQ-UHFFFAOYSA-N 0 1 298.371 3.539 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000212070943 1118056670 /nfs/dbraw/zinc/05/66/70/1118056670.db2.gz BZCPMEVBRGTSJQ-CQSZACIVSA-N 0 1 289.419 3.959 20 0 CHADMN Fc1ccc(CNCc2ccccc2F)cc1Cl ZINC000053149975 1118061560 /nfs/dbraw/zinc/06/15/60/1118061560.db2.gz HJBLUBDDPYIADU-UHFFFAOYSA-N 0 1 267.706 3.908 20 0 CHADMN C[C@H]1CCN(Cc2ccccc2N2CCCCC2)C[C@H]1F ZINC000779151468 1128753261 /nfs/dbraw/zinc/75/32/61/1128753261.db2.gz YEBLQGQBGTYDRK-DOTOQJQBSA-N 0 1 290.426 3.857 20 0 CHADMN c1nc(CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)co1 ZINC000683350430 1118063210 /nfs/dbraw/zinc/06/32/10/1118063210.db2.gz IYDGRPZQUFMPST-AWEZNQCLSA-N 0 1 281.359 3.536 20 0 CHADMN Cc1cc(CNCc2cc(F)ccc2F)ccc1F ZINC000069671214 1118069248 /nfs/dbraw/zinc/06/92/48/1118069248.db2.gz MMXITDAYCCPCIM-UHFFFAOYSA-N 0 1 265.278 3.702 20 0 CHADMN CN(Cc1cc(O)ccc1F)[C@@H]1CCc2ccccc21 ZINC001140052995 1118070343 /nfs/dbraw/zinc/07/03/43/1118070343.db2.gz KOZGLJUSVAJHJX-QGZVFWFLSA-N 0 1 271.335 3.651 20 0 CHADMN CCS[C@@H](C(=O)Nc1ccc2nc(C)[nH]c2c1)C(C)C ZINC000340116093 1118070922 /nfs/dbraw/zinc/07/09/22/1118070922.db2.gz YEKGKPUFQJTJOY-CQSZACIVSA-N 0 1 291.420 3.588 20 0 CHADMN CCOc1ccc(C)c(CN2Cc3ccccc3C2)c1 ZINC001238704925 1118074930 /nfs/dbraw/zinc/07/49/30/1118074930.db2.gz MXTMHNPZXPPPHS-UHFFFAOYSA-N 0 1 267.372 3.910 20 0 CHADMN Fc1ccc(S[C@H]2CCN(Cc3cncs3)C2)cc1 ZINC001209550565 1118078031 /nfs/dbraw/zinc/07/80/31/1118078031.db2.gz HSQNUXXWTQIOMZ-ZDUSSCGKSA-N 0 1 294.420 3.649 20 0 CHADMN CC(C)([NH2+]Cc1cccc([O-])c1Cl)C1CCC1 ZINC000398150273 1118089944 /nfs/dbraw/zinc/08/99/44/1118089944.db2.gz RSYVJBDUINHSGC-UHFFFAOYSA-N 0 1 253.773 3.714 20 0 CHADMN CCC(CC)C[N@@H+](CC)Cc1ccccc1C(=O)[O-] ZINC000048970683 1118092478 /nfs/dbraw/zinc/09/24/78/1118092478.db2.gz MEGHODIDDUOWEA-UHFFFAOYSA-N 0 1 263.381 3.643 20 0 CHADMN CCCOC1(CNCc2csc(C)n2)CCCCC1 ZINC000349153772 1118092887 /nfs/dbraw/zinc/09/28/87/1118092887.db2.gz SPGPFWLAPFISPO-UHFFFAOYSA-N 0 1 282.453 3.671 20 0 CHADMN CCC1CCC([N@@H+](C)Cc2ccccc2C(=O)[O-])CC1 ZINC000049024486 1118095537 /nfs/dbraw/zinc/09/55/37/1118095537.db2.gz WISUKPSRLYQVOV-UHFFFAOYSA-N 0 1 275.392 3.785 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000179731266 1128755855 /nfs/dbraw/zinc/75/58/55/1128755855.db2.gz LTMRKTDIYXQSCF-JTQLQIEISA-N 0 1 265.784 3.809 20 0 CHADMN CN(C)[C@@H](CNc1nccc2ccc(F)cc21)c1ccco1 ZINC000340202421 1118110299 /nfs/dbraw/zinc/11/02/99/1118110299.db2.gz IUUFBVUAGOGQKY-HNNXBMFYSA-N 0 1 299.349 3.682 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccnc(Cl)c2)cc1F ZINC000764762102 1118111642 /nfs/dbraw/zinc/11/16/42/1118111642.db2.gz NETKXJRNHCNHOV-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN Cc1nc2cc(NC[C@]3(C)CCCS3)ccc2n1C ZINC000653467093 1118113514 /nfs/dbraw/zinc/11/35/14/1118113514.db2.gz BWBSUHSKDMSXJA-HNNXBMFYSA-N 0 1 275.421 3.579 20 0 CHADMN COc1ncc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)cc1Cl ZINC000782108507 1118116671 /nfs/dbraw/zinc/11/66/71/1118116671.db2.gz RIYOVQDTIHNJNN-MLGOLLRUSA-N 0 1 294.826 3.756 20 0 CHADMN COCCCC[N@@H+](C)Cc1csc(-c2ccccc2)n1 ZINC000340237777 1118118730 /nfs/dbraw/zinc/11/87/30/1118118730.db2.gz GHOUBOLIYFWREG-UHFFFAOYSA-N 0 1 290.432 3.669 20 0 CHADMN COCCCCN(C)Cc1csc(-c2ccccc2)n1 ZINC000340237777 1118118733 /nfs/dbraw/zinc/11/87/33/1118118733.db2.gz GHOUBOLIYFWREG-UHFFFAOYSA-N 0 1 290.432 3.669 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(F)cc(Br)c1 ZINC001209966464 1118120342 /nfs/dbraw/zinc/12/03/42/1118120342.db2.gz AYAYFMYJTMVAEX-UHFFFAOYSA-N 0 1 296.143 3.617 20 0 CHADMN Cc1cc(N)ncc1Nc1ccnc2c(Cl)cccc12 ZINC001209964930 1118120549 /nfs/dbraw/zinc/12/05/49/1118120549.db2.gz ICEQOSGNOOSHQS-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(F)c(C)c1Cl ZINC001209968937 1118122284 /nfs/dbraw/zinc/12/22/84/1118122284.db2.gz GIBIKORWDZLRIX-UHFFFAOYSA-N 0 1 265.719 3.817 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc(Br)c1F ZINC001209968978 1118122978 /nfs/dbraw/zinc/12/29/78/1118122978.db2.gz FGQKKRAETZUOLN-UHFFFAOYSA-N 0 1 296.143 3.617 20 0 CHADMN CCC[C@@H](C)N(C)Cc1ncc(-c2ccccc2)o1 ZINC000042147530 1118123853 /nfs/dbraw/zinc/12/38/53/1118123853.db2.gz PSJLNTLRLFVRGF-CYBMUJFWSA-N 0 1 258.365 3.962 20 0 CHADMN FC(F)n1ccnc1CN1CCC[C@H]1CC1CCCC1 ZINC000653892944 1118126581 /nfs/dbraw/zinc/12/65/81/1118126581.db2.gz QEWLADOUHPUEPM-ZDUSSCGKSA-N 0 1 283.366 3.823 20 0 CHADMN CN(Cc1nc2c(s1)CCCC2)CC1(C)CCC1 ZINC000340286887 1118131537 /nfs/dbraw/zinc/13/15/37/1118131537.db2.gz KHTGGXCCSIGGCK-UHFFFAOYSA-N 0 1 264.438 3.644 20 0 CHADMN COC(=O)c1sccc1CN(C)CCC1CCCCC1 ZINC001167273902 1118137839 /nfs/dbraw/zinc/13/78/39/1118137839.db2.gz UCNUDTMVBIMXRE-UHFFFAOYSA-N 0 1 295.448 3.937 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H](C)c2ccc(Cl)cc2)n1 ZINC000650228043 1118154660 /nfs/dbraw/zinc/15/46/60/1118154660.db2.gz RVALWDXAAWASEE-GWCFXTLKSA-N 0 1 293.798 3.921 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000126349142 1118155530 /nfs/dbraw/zinc/15/55/30/1118155530.db2.gz ASMAYABBXCUDJN-CQSZACIVSA-N 0 1 279.355 3.679 20 0 CHADMN CC[C@H](NCc1cccc2c1OCC2)c1ccccc1OC ZINC000921524864 1118156595 /nfs/dbraw/zinc/15/65/95/1118156595.db2.gz JWVSNKKZBRASLK-KRWDZBQOSA-N 0 1 297.398 3.871 20 0 CHADMN C[N@@H+](Cc1c(C(=O)[O-])sc2cccc(F)c21)C1CCC1 ZINC000143870875 1118159213 /nfs/dbraw/zinc/15/92/13/1118159213.db2.gz QPBQHXVOXGEGMO-UHFFFAOYSA-N 0 1 293.363 3.723 20 0 CHADMN CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)s1 ZINC000166279776 1118161083 /nfs/dbraw/zinc/16/10/83/1118161083.db2.gz PWWPJOOWSBABRG-GFCCVEGCSA-N 0 1 295.448 3.732 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccnc1)c1cc(F)c(F)c(F)c1 ZINC000171983036 1118164854 /nfs/dbraw/zinc/16/48/54/1118164854.db2.gz UNCYNAZKERYLSG-VHSXEESVSA-N 0 1 280.293 3.911 20 0 CHADMN CC(C)[C@H](c1ccccc1)N(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000172003867 1118165390 /nfs/dbraw/zinc/16/53/90/1118165390.db2.gz CNMUGNDTIUTQHL-QGZVFWFLSA-N 0 1 297.402 3.756 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000079349407 1118166407 /nfs/dbraw/zinc/16/64/07/1118166407.db2.gz YODQFFBOGBNCQO-ZBFHGGJFSA-N 0 1 275.392 3.570 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1ccncc1Br ZINC000625285476 1118175872 /nfs/dbraw/zinc/17/58/72/1118175872.db2.gz VTKKIPRNQFXZPM-CMPLNLGQSA-N 0 1 283.213 3.607 20 0 CHADMN C[C@@H](N[C@H]1CCCn2ccnc21)c1ccc2c(c1)CCCC2 ZINC000655682828 1118183644 /nfs/dbraw/zinc/18/36/44/1118183644.db2.gz LFXUVJBZHLJAOP-KDOFPFPSSA-N 0 1 295.430 3.948 20 0 CHADMN CC(C)c1ccc(OCCN[C@@H]2CCCn3ccnc32)cc1 ZINC000655701053 1118186740 /nfs/dbraw/zinc/18/67/40/1118186740.db2.gz QACATMGWYJUXGS-QGZVFWFLSA-N 0 1 299.418 3.510 20 0 CHADMN CC(C)COC[C@H](N[C@@H]1CC[C@H](C)SC1)c1ccco1 ZINC000655704771 1118188919 /nfs/dbraw/zinc/18/89/19/1118188919.db2.gz KHMMYSVVCWLESF-ZNMIVQPWSA-N 0 1 297.464 3.867 20 0 CHADMN CCCCN(CC(=O)Nc1c(C)cccc1CC)C1CC1 ZINC000046602811 1118189414 /nfs/dbraw/zinc/18/94/14/1118189414.db2.gz JJKSJXMCIWGDAT-UHFFFAOYSA-N 0 1 288.435 3.760 20 0 CHADMN C[C@H](Cc1ccc(F)cc1)NCc1nc(C(C)(C)C)co1 ZINC000921549418 1118190355 /nfs/dbraw/zinc/19/03/55/1118190355.db2.gz GMXUGJHOZZCRCY-GFCCVEGCSA-N 0 1 290.382 3.832 20 0 CHADMN CC(C)c1ccc(CN[C@@H]2CCCn3ccnc32)cc1 ZINC000655706266 1118191214 /nfs/dbraw/zinc/19/12/14/1118191214.db2.gz KZBQCTXSDYTEDT-MRXNPFEDSA-N 0 1 269.392 3.631 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1N[C@@H]1CCCn2ccnc21 ZINC000655737943 1118197627 /nfs/dbraw/zinc/19/76/27/1118197627.db2.gz RTMGUORCGLBAEJ-KBRIMQKVSA-N 0 1 281.403 3.631 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1N[C@H]1CCCn2ccnc21 ZINC000655737942 1118197733 /nfs/dbraw/zinc/19/77/33/1118197733.db2.gz RTMGUORCGLBAEJ-COXVUDFISA-N 0 1 281.403 3.631 20 0 CHADMN c1cn2c(n1)[C@@H](N[C@H](CC1CC1)c1ccccc1)CCC2 ZINC000655744100 1118200145 /nfs/dbraw/zinc/20/01/45/1118200145.db2.gz WQFPEZMFGKXYNN-DLBZAZTESA-N 0 1 281.403 3.849 20 0 CHADMN Cc1ccc(-c2ncc(CN[C@H](C)CF)s2)cc1C ZINC000655774240 1118207278 /nfs/dbraw/zinc/20/72/78/1118207278.db2.gz QHLOYFVZTUOCAG-GFCCVEGCSA-N 0 1 278.396 3.875 20 0 CHADMN COC(=O)c1oc(CN2CCC[C@@H]2c2ccccc2)cc1C ZINC000025934904 1118207955 /nfs/dbraw/zinc/20/79/55/1118207955.db2.gz QGBIHJLXWSNERJ-MRXNPFEDSA-N 0 1 299.370 3.712 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)CCc1cccnc1 ZINC000172155932 1118212792 /nfs/dbraw/zinc/21/27/92/1118212792.db2.gz FZSSXAQTFITUID-GFCCVEGCSA-N 0 1 276.330 3.595 20 0 CHADMN C[C@H]1CC[C@H](Nc2ccc3cnccc3c2)CS1 ZINC000655793112 1118214492 /nfs/dbraw/zinc/21/44/92/1118214492.db2.gz TVEFEDHNBWQPQM-NHYWBVRUSA-N 0 1 258.390 3.931 20 0 CHADMN COc1c(C)cccc1CN[C@@H]1CCc2c1cccc2F ZINC000655810360 1118219675 /nfs/dbraw/zinc/21/96/75/1118219675.db2.gz JIICKFRRNCYDFZ-QGZVFWFLSA-N 0 1 285.362 3.920 20 0 CHADMN COc1c(C)cccc1CN[C@H]1CCCc2cccnc21 ZINC000655812654 1118220346 /nfs/dbraw/zinc/22/03/46/1118220346.db2.gz QLFNSJCKSGTPLI-INIZCTEOSA-N 0 1 282.387 3.566 20 0 CHADMN COc1c(C)cccc1CN[C@@H]1CCc2ccc(F)cc21 ZINC000655812131 1118220455 /nfs/dbraw/zinc/22/04/55/1118220455.db2.gz ZVPBDSVILOJFNN-QGZVFWFLSA-N 0 1 285.362 3.920 20 0 CHADMN COc1c(C)cccc1CN[C@@H](C)c1cnc(C)s1 ZINC000655812053 1118221040 /nfs/dbraw/zinc/22/10/40/1118221040.db2.gz NPRQAWOWEUVDKR-NSHDSACASA-N 0 1 276.405 3.619 20 0 CHADMN CC[C@@H](NCc1cccc(C)c1OC)c1ccncc1 ZINC000655813088 1118221630 /nfs/dbraw/zinc/22/16/30/1118221630.db2.gz VJZHBANDKBWOLR-MRXNPFEDSA-N 0 1 270.376 3.640 20 0 CHADMN C[C@@H]1c2cccn2CCN1CCCOCCc1ccccc1 ZINC000051498912 1118223816 /nfs/dbraw/zinc/22/38/16/1118223816.db2.gz GSSLBNKHGSJOGB-QGZVFWFLSA-N 0 1 298.430 3.514 20 0 CHADMN Cc1cn[nH]c1CNc1ccccc1OCCC(C)C ZINC000655819913 1118224428 /nfs/dbraw/zinc/22/44/28/1118224428.db2.gz DACIHNHJZBYYTQ-UHFFFAOYSA-N 0 1 273.380 3.755 20 0 CHADMN CCOc1cccc(CNCc2cccc(C)c2OC)c1 ZINC000655832174 1118226788 /nfs/dbraw/zinc/22/67/88/1118226788.db2.gz RNUZPVUENPWBRL-UHFFFAOYSA-N 0 1 285.387 3.692 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H](C)Cc2ccccn2)cs1 ZINC000655835014 1118230498 /nfs/dbraw/zinc/23/04/98/1118230498.db2.gz JIIYFPQGOCAXEM-QWHCGFSZSA-N 0 1 289.448 3.943 20 0 CHADMN C/C(Cl)=C\C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC001626051574 1118234897 /nfs/dbraw/zinc/23/48/97/1118234897.db2.gz RQVMSZSHSZLGHD-VQHVLOKHSA-N 0 1 289.766 3.912 20 0 CHADMN CC[C@@H](NCc1c(C)cc(C)cc1C)c1ccn(C)n1 ZINC000542667520 1118237000 /nfs/dbraw/zinc/23/70/00/1118237000.db2.gz PWYYGHMYWMFGPD-MRXNPFEDSA-N 0 1 271.408 3.586 20 0 CHADMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cscn1 ZINC000172329370 1118238831 /nfs/dbraw/zinc/23/88/31/1118238831.db2.gz MXOMOONCPOHQFU-YPMHNXCESA-N 0 1 276.380 3.660 20 0 CHADMN C[C@@H](c1nc(-c2ccn3cncc3c2)no1)C1CCCC1 ZINC000351073439 1118240880 /nfs/dbraw/zinc/24/08/80/1118240880.db2.gz GFBMIGOETIDGQB-LLVKDONJSA-N 0 1 282.347 3.678 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@@H]1NCc1noc2ccccc21 ZINC000655854502 1118243507 /nfs/dbraw/zinc/24/35/07/1118243507.db2.gz DNVGAXOICOGWIP-KZULUSFZSA-N 0 1 278.355 3.851 20 0 CHADMN CCCC(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615813891 1128764904 /nfs/dbraw/zinc/76/49/04/1128764904.db2.gz OYEYLAZRQJNXLF-VIFPVBQESA-N 0 1 279.771 3.536 20 0 CHADMN O=C([O-])[C@@]1(c2ccccc2)CC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000579961220 1118245033 /nfs/dbraw/zinc/24/50/33/1118245033.db2.gz CJUBRYSCHIRBHO-MJGOQNOKSA-N 0 1 299.414 3.604 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1CCc2ccc(Cl)cc21 ZINC000340438540 1118246838 /nfs/dbraw/zinc/24/68/38/1118246838.db2.gz AIOIUGFNSKIUNU-MRXNPFEDSA-N 0 1 290.794 3.976 20 0 CHADMN Fc1cccc(F)c1CNC[C@H]1CCC2(CCCC2)O1 ZINC000655861468 1118247844 /nfs/dbraw/zinc/24/78/44/1118247844.db2.gz PMNGHAWFSPAIDR-GFCCVEGCSA-N 0 1 281.346 3.546 20 0 CHADMN Cc1ccccc1CN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000044736367 1118251368 /nfs/dbraw/zinc/25/13/68/1118251368.db2.gz XHAHGRSKFYIFKR-GOSISDBHSA-N 0 1 285.362 3.708 20 0 CHADMN CC(C)c1cc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)n[nH]1 ZINC000044970608 1118252380 /nfs/dbraw/zinc/25/23/80/1118252380.db2.gz PPNWLFGJVCFAAT-NSHDSACASA-N 0 1 289.354 3.505 20 0 CHADMN CCCCN(C)Cc1nc2ccccc2n1C(F)F ZINC000044995389 1118252663 /nfs/dbraw/zinc/25/26/63/1118252663.db2.gz IJZCQZGYQUVRBW-UHFFFAOYSA-N 0 1 267.323 3.663 20 0 CHADMN CC(C)N(Cc1ncc(C(C)(C)C)o1)C1CCC1 ZINC000409445153 1118253603 /nfs/dbraw/zinc/25/36/03/1118253603.db2.gz GVPIFNPXNSZYCD-UHFFFAOYSA-N 0 1 250.386 3.735 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nnc(C(C)(C)C)o1 ZINC000075837858 1128766201 /nfs/dbraw/zinc/76/62/01/1128766201.db2.gz XSXBGVWMPOSLBU-AGIUHOORSA-N 0 1 277.412 3.520 20 0 CHADMN CCSc1cccc(F)c1NC(=O)c1cc(CC)on1 ZINC000891043246 1118266628 /nfs/dbraw/zinc/26/66/28/1118266628.db2.gz MKAUNISNQUQYMJ-UHFFFAOYSA-N 0 1 294.351 3.740 20 0 CHADMN CC[N@@H+](CCCC(C)(C)C)C1CCC(C(=O)[O-])CC1 ZINC000579973704 1118267544 /nfs/dbraw/zinc/26/75/44/1118267544.db2.gz HZJWAKJISNKUQJ-UHFFFAOYSA-N 0 1 269.429 3.778 20 0 CHADMN Cc1c2cc(F)ccc2oc1CNCc1ccc(F)nc1 ZINC000189011363 1128766566 /nfs/dbraw/zinc/76/65/66/1128766566.db2.gz DIPQOKNZOUXXCK-UHFFFAOYSA-N 0 1 288.297 3.704 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](n3ccnc3)C2)c(Cl)c1 ZINC000683665959 1118268666 /nfs/dbraw/zinc/26/86/66/1118268666.db2.gz XFVRXKOZKHVUPM-OAHLLOKOSA-N 0 1 289.810 3.682 20 0 CHADMN Clc1cccc(OCCNCc2cccnc2Cl)c1 ZINC001648879276 1118270374 /nfs/dbraw/zinc/27/03/74/1118270374.db2.gz WLFTVOFISGFYJZ-UHFFFAOYSA-N 0 1 297.185 3.557 20 0 CHADMN CC(C)[C@H]1CCCCC[N@H+]1Cc1coc(C2CC2)n1 ZINC001168581734 1118281040 /nfs/dbraw/zinc/28/10/40/1118281040.db2.gz XNZCFRYZOJUPRN-OAHLLOKOSA-N 0 1 262.397 3.953 20 0 CHADMN CC(C)[N@H+](CC(=O)[O-])Cc1sc2ccccc2c1Cl ZINC000037995257 1118283267 /nfs/dbraw/zinc/28/32/67/1118283267.db2.gz ODERFKQJDATCDP-UHFFFAOYSA-N 0 1 297.807 3.850 20 0 CHADMN CC[C@H](F)CN[C@@H](C)c1ccc(Br)cc1F ZINC000309450228 1118287813 /nfs/dbraw/zinc/28/78/13/1118287813.db2.gz KVSJDTIWCAQGKF-WPRPVWTQSA-N 0 1 292.167 3.987 20 0 CHADMN CC[C@H]1CCCN(CC(=O)Nc2cccc(C(C)C)c2)C1 ZINC000058773486 1118292172 /nfs/dbraw/zinc/29/21/72/1118292172.db2.gz MPBYTQYOVVNRII-HNNXBMFYSA-N 0 1 288.435 3.871 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccoc1C1CC1 ZINC000282213261 1118293545 /nfs/dbraw/zinc/29/35/45/1118293545.db2.gz GHESGBGBTOISEY-UHFFFAOYSA-N 0 1 281.315 3.594 20 0 CHADMN Cc1nc(CN([C@@H](C)C2CC2)C2CC2)nc2ccccc12 ZINC000107896334 1118294450 /nfs/dbraw/zinc/29/44/50/1118294450.db2.gz UOGOEHZTEKZPAP-ZDUSSCGKSA-N 0 1 281.403 3.701 20 0 CHADMN c1ccc(CC[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000060105409 1118296694 /nfs/dbraw/zinc/29/66/94/1118296694.db2.gz ANEUXKZKVJFTOX-IBGZPJMESA-N 0 1 281.399 3.520 20 0 CHADMN CCN(CC)CC(=O)N(CC)c1cccc2ccccc21 ZINC000060476617 1118299883 /nfs/dbraw/zinc/29/98/83/1118299883.db2.gz YOJAUJPJRCRMRY-UHFFFAOYSA-N 0 1 284.403 3.535 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc(C)c(C)o2)cc1F ZINC000282229773 1118302541 /nfs/dbraw/zinc/30/25/41/1118302541.db2.gz PIUXUFXDOSSNMT-NSHDSACASA-N 0 1 277.339 3.895 20 0 CHADMN CC[C@H](C)CCC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000671719786 1118303937 /nfs/dbraw/zinc/30/39/37/1118303937.db2.gz DDXPBCSTIXOWMV-JTQLQIEISA-N 0 1 293.798 3.659 20 0 CHADMN COc1ccc(F)cc1CNCc1csc(C)c1C ZINC000399760608 1118304526 /nfs/dbraw/zinc/30/45/26/1118304526.db2.gz BPPWSXOHCRMTGF-UHFFFAOYSA-N 0 1 279.380 3.802 20 0 CHADMN CC(C)CCc1nc(CN(C)CC(C)C)cs1 ZINC000062364751 1118311554 /nfs/dbraw/zinc/31/15/54/1118311554.db2.gz HPTBLADZQBETGE-UHFFFAOYSA-N 0 1 254.443 3.820 20 0 CHADMN Clc1cccc2[nH]c(NCc3[nH]nc4ccccc43)nc21 ZINC000683724490 1118312046 /nfs/dbraw/zinc/31/20/46/1118312046.db2.gz YSCPNJJQXZETPA-UHFFFAOYSA-N 0 1 297.749 3.705 20 0 CHADMN CC(C)c1cccc(N(C)C(=O)c2cccc3[nH]ncc32)c1 ZINC000062527294 1118312382 /nfs/dbraw/zinc/31/23/82/1118312382.db2.gz HTAUKZPWCYAGPS-UHFFFAOYSA-N 0 1 293.370 3.963 20 0 CHADMN Fc1cccc(F)c1CN1CCC2(CCC2)CC1 ZINC000671729062 1118314733 /nfs/dbraw/zinc/31/47/33/1118314733.db2.gz LLWFTPDKWJOTLK-UHFFFAOYSA-N 0 1 251.320 3.731 20 0 CHADMN CCCc1nc(CN2CCC3(CCC3)CC2)cs1 ZINC000671728201 1118314772 /nfs/dbraw/zinc/31/47/72/1118314772.db2.gz VQDTXJXUVZWFBS-UHFFFAOYSA-N 0 1 264.438 3.862 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]1F)CCS2 ZINC000340521050 1118315118 /nfs/dbraw/zinc/31/51/18/1118315118.db2.gz BHTVNOOMQDZWJP-MCIONIFRSA-N 0 1 281.396 3.712 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]1F)CCCO2 ZINC000340524054 1118316129 /nfs/dbraw/zinc/31/61/29/1118316129.db2.gz BBXIRHGNPGSUCH-RBSFLKMASA-N 0 1 263.356 3.689 20 0 CHADMN COC[C@H](N[C@@H]1CCC[C@H]1F)c1cccc(Cl)c1 ZINC000340524251 1118316238 /nfs/dbraw/zinc/31/62/38/1118316238.db2.gz DEIGHLKAUWRJPF-MCIONIFRSA-N 0 1 271.763 3.508 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1N[C@H](C)c1cc(C)on1 ZINC000340526257 1118316643 /nfs/dbraw/zinc/31/66/43/1118316643.db2.gz PXNABBAISIKXCA-MBNYWOFBSA-N 0 1 268.426 3.698 20 0 CHADMN CC[C@H](N[C@H]1CCC[C@H]1F)c1cc(F)ccc1F ZINC000340525392 1118317085 /nfs/dbraw/zinc/31/70/85/1118317085.db2.gz IVZDPEQDWRDDKS-RDBSUJKOSA-N 0 1 257.299 3.896 20 0 CHADMN CC[C@H](N[C@@H]1CCC[C@@H]1F)c1ccc(F)cc1F ZINC000340524749 1118317105 /nfs/dbraw/zinc/31/71/05/1118317105.db2.gz AXMJDIJCRRDETB-FPMFFAJLSA-N 0 1 257.299 3.896 20 0 CHADMN Cc1ccc([C@H](C)NCc2nn(C)c3ccccc23)cc1F ZINC000316183454 1118320841 /nfs/dbraw/zinc/32/08/41/1118320841.db2.gz ASGDWZNNJIZICN-ZDUSSCGKSA-N 0 1 297.377 3.872 20 0 CHADMN c1ccc(-c2n[nH]c(S[C@@H]3CCc4ccccc43)n2)nc1 ZINC000683738562 1118324114 /nfs/dbraw/zinc/32/41/14/1118324114.db2.gz BXAILOUFEKGRSF-CQSZACIVSA-N 0 1 294.383 3.646 20 0 CHADMN CCc1ccc([C@@H](CO)N[C@H](C)c2cccc(F)c2)cc1 ZINC000090844626 1118326411 /nfs/dbraw/zinc/32/64/11/1118326411.db2.gz CILHTIVKDGHUBJ-FZKQIMNGSA-N 0 1 287.378 3.772 20 0 CHADMN Cc1cccc(-c2noc(CN(C3CC3)C3CCCC3)n2)c1 ZINC000064809277 1118329118 /nfs/dbraw/zinc/32/91/18/1118329118.db2.gz NQMPOXHKFZEFKX-UHFFFAOYSA-N 0 1 297.402 3.952 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000109131296 1118330653 /nfs/dbraw/zinc/33/06/53/1118330653.db2.gz CPMZFTYSMDNYAN-JTQLQIEISA-N 0 1 262.378 3.633 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1ncc(-c2cccs2)o1 ZINC000109131296 1118330657 /nfs/dbraw/zinc/33/06/57/1118330657.db2.gz CPMZFTYSMDNYAN-JTQLQIEISA-N 0 1 262.378 3.633 20 0 CHADMN FC(F)Oc1cccc(CN2CCc3sccc3C2)c1 ZINC000065234529 1118332780 /nfs/dbraw/zinc/33/27/80/1118332780.db2.gz BTTYTEUTZUWZCH-UHFFFAOYSA-N 0 1 295.354 3.908 20 0 CHADMN CCC[C@@H](CN1CC2(CCC2)[C@H]1c1ccco1)OC ZINC000639236319 1118336990 /nfs/dbraw/zinc/33/69/90/1118336990.db2.gz YLRDABBMIGGIPX-DZGCQCFKSA-N 0 1 263.381 3.622 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2ccc(F)nc2)c1 ZINC000189297537 1128771088 /nfs/dbraw/zinc/77/10/88/1128771088.db2.gz IVFKOXABBXWHLV-INIZCTEOSA-N 0 1 270.351 3.866 20 0 CHADMN COCC[C@H](Sc1nc(C2CC2)n[nH]1)c1ccccc1 ZINC000340547833 1118343688 /nfs/dbraw/zinc/34/36/88/1118343688.db2.gz WGIMCFJWVLJSMZ-ZDUSSCGKSA-N 0 1 289.404 3.552 20 0 CHADMN COCC[C@H](Sc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000340547833 1118343693 /nfs/dbraw/zinc/34/36/93/1118343693.db2.gz WGIMCFJWVLJSMZ-ZDUSSCGKSA-N 0 1 289.404 3.552 20 0 CHADMN COc1ccc(C)cc1CNCc1scnc1C1CC1 ZINC000683765620 1118346228 /nfs/dbraw/zinc/34/62/28/1118346228.db2.gz UBPFHAFNNIKJBJ-UHFFFAOYSA-N 0 1 288.416 3.627 20 0 CHADMN CN(C(=O)c1cc(-c2cccs2)[nH]n1)C1CCCCC1 ZINC000340559935 1118349525 /nfs/dbraw/zinc/34/95/25/1118349525.db2.gz VDINDSZAVBGYPR-UHFFFAOYSA-N 0 1 289.404 3.543 20 0 CHADMN Fc1ccccc1CNCc1cccc2cc[nH]c21 ZINC000083399090 1118351718 /nfs/dbraw/zinc/35/17/18/1118351718.db2.gz PRJQJGRGPLIJRD-UHFFFAOYSA-N 0 1 254.308 3.597 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1cnc(-c2ccco2)s1 ZINC000683774421 1118355259 /nfs/dbraw/zinc/35/52/59/1118355259.db2.gz QYHIOTCMVYOFMY-LBPRGKRZSA-N 0 1 299.399 3.957 20 0 CHADMN CC(C)(C)c1cc(=O)n(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000116602887 1118356119 /nfs/dbraw/zinc/35/61/19/1118356119.db2.gz RVEKPPKECQQXBE-UHFFFAOYSA-N 0 1 284.281 3.894 20 0 CHADMN CC(C)C[C@H](C)CC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000067905660 1118357190 /nfs/dbraw/zinc/35/71/90/1118357190.db2.gz MELYCMOGBBXPFN-ZFWWWQNUSA-N 0 1 296.480 3.539 20 0 CHADMN CN(CCc1ccccc1F)Cc1nc2ccccc2o1 ZINC000068865216 1118366053 /nfs/dbraw/zinc/36/60/53/1118366053.db2.gz VXWPFHQOEMTELV-UHFFFAOYSA-N 0 1 284.334 3.641 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC000568073869 1118367745 /nfs/dbraw/zinc/36/77/45/1118367745.db2.gz PAHLEKAGFHXFGA-INMHGKMJSA-N 0 1 281.440 3.636 20 0 CHADMN CCc1ccc([C@H](NCc2ccno2)C(C)C)cc1 ZINC000071122823 1118372611 /nfs/dbraw/zinc/37/26/11/1118372611.db2.gz XFLTXMCMJLRILX-MRXNPFEDSA-N 0 1 258.365 3.724 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000072693795 1118375990 /nfs/dbraw/zinc/37/59/90/1118375990.db2.gz NFUHMGRMRPRFLO-HOTGVXAUSA-N 0 1 286.419 3.506 20 0 CHADMN C[C@H](NCc1ccccc1F)c1cccc(-n2cccn2)c1 ZINC000072925135 1118376737 /nfs/dbraw/zinc/37/67/37/1118376737.db2.gz HRVRHQCOQKENJU-AWEZNQCLSA-N 0 1 295.361 3.862 20 0 CHADMN CCC(C)=Nc1cc(C(=O)OC)sc1Br ZINC001210793627 1118390161 /nfs/dbraw/zinc/39/01/61/1118390161.db2.gz VYDZTFHPSDHAHO-GQCTYLIASA-N 0 1 290.182 3.633 20 0 CHADMN CC1(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 ZINC000683827113 1118393563 /nfs/dbraw/zinc/39/35/63/1118393563.db2.gz KJTAUADXJRBEPT-RKDXNWHRSA-N 0 1 289.263 3.849 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N(C)CCC(C)C)c(Cl)c1 ZINC000048584101 1118418517 /nfs/dbraw/zinc/41/85/17/1118418517.db2.gz NYFZNZUOTBYBPG-CYBMUJFWSA-N 0 1 296.842 3.953 20 0 CHADMN Oc1c(Cl)cc(Nc2cn(CCF)cn2)cc1Cl ZINC001210926192 1118424555 /nfs/dbraw/zinc/42/45/55/1118424555.db2.gz BMJCPEVIFSUTJY-UHFFFAOYSA-N 0 1 290.125 3.609 20 0 CHADMN Cc1nc(C)c(CN2CCC(Nc3cccc(C)c3)CC2)o1 ZINC000683899255 1118432821 /nfs/dbraw/zinc/43/28/21/1118432821.db2.gz XGEFNWAUDBRTTE-UHFFFAOYSA-N 0 1 299.418 3.676 20 0 CHADMN COc1ccc(N=C(C)c2ccccc2)c(C(C)=O)c1 ZINC001210986988 1118434969 /nfs/dbraw/zinc/43/49/69/1118434969.db2.gz GZEYIRPYYGACTB-UHFFFAOYSA-N 0 1 267.328 3.981 20 0 CHADMN Cc1cccc([C@H](c2noc([C@@H]3CC[N@@H+](C)C3)n2)C(C)C)c1 ZINC000580378457 1118440723 /nfs/dbraw/zinc/44/07/23/1118440723.db2.gz KVKBNXZYEMMDIM-HZPDHXFCSA-N 0 1 299.418 3.585 20 0 CHADMN CCN(Cc1c[nH]nc1C(C)(C)C)Cc1ccccc1 ZINC000158691345 1118447650 /nfs/dbraw/zinc/44/76/50/1118447650.db2.gz JDGQBRNAQTULRJ-UHFFFAOYSA-N 0 1 271.408 3.729 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cc2ccccc2[nH]1 ZINC000683929549 1118448589 /nfs/dbraw/zinc/44/85/89/1118448589.db2.gz MSWCEIKBFHADHS-SNVBAGLBSA-N 0 1 269.348 3.624 20 0 CHADMN Clc1ccc(CNCc2cc3ccccc3[nH]2)nc1 ZINC000683930511 1118449050 /nfs/dbraw/zinc/44/90/50/1118449050.db2.gz QGMFZRLMNILGLT-UHFFFAOYSA-N 0 1 271.751 3.506 20 0 CHADMN CC[C@@H](C)Oc1cc(C)ccc1CNCc1cccn1C ZINC000153324172 1118469478 /nfs/dbraw/zinc/46/94/78/1118469478.db2.gz CRTXBSILQLZLKT-OAHLLOKOSA-N 0 1 286.419 3.801 20 0 CHADMN CN(Cc1nc(-c2ccccc2)c[nH]1)C[C@@H]1CC1(C)C ZINC001658635937 1118471802 /nfs/dbraw/zinc/47/18/02/1118471802.db2.gz WMVYZIOTLWJUAR-AWEZNQCLSA-N 0 1 269.392 3.555 20 0 CHADMN C[C@]1(Cc2cc(Cl)cs2)CCCN1Cc1c[nH]cn1 ZINC000932918928 1118475247 /nfs/dbraw/zinc/47/52/47/1118475247.db2.gz MGZBISNIANYGLE-CQSZACIVSA-N 0 1 295.839 3.722 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N(Cc2cccnc2Br)C1 ZINC001659104532 1118476130 /nfs/dbraw/zinc/47/61/30/1118476130.db2.gz TYISLGWPDAKPHS-VXGBXAGGSA-N 0 1 297.240 3.855 20 0 CHADMN C[C@H]1CCC[C@H](C)N(Cc2cccnc2Br)C1 ZINC001659104529 1118476212 /nfs/dbraw/zinc/47/62/12/1118476212.db2.gz TYISLGWPDAKPHS-RYUDHWBXSA-N 0 1 297.240 3.855 20 0 CHADMN COC[C@H]1CCCN1CCc1cccc(Cl)c1Cl ZINC000683994734 1118480747 /nfs/dbraw/zinc/48/07/47/1118480747.db2.gz GGWYZNUQDXEANJ-GFCCVEGCSA-N 0 1 288.218 3.647 20 0 CHADMN Cn1cncc1Nc1ccc(Cl)c(F)c1Cl ZINC001211249965 1118487774 /nfs/dbraw/zinc/48/77/74/1118487774.db2.gz BOCBGNNQKNXVGZ-UHFFFAOYSA-N 0 1 260.099 3.610 20 0 CHADMN COc1ccc(CNCc2cc(C)ccc2OC)cc1C ZINC000075675345 1118487782 /nfs/dbraw/zinc/48/77/82/1118487782.db2.gz KSABLPHBQBCXSG-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000580720189 1118495489 /nfs/dbraw/zinc/49/54/89/1118495489.db2.gz HUGRRFDUVBCLMR-WDEREUQCSA-N 0 1 295.345 3.540 20 0 CHADMN Cc1cnn([C@H]2CCN(Cc3ccc(C)cc3Cl)C2)c1 ZINC000352391243 1118500828 /nfs/dbraw/zinc/50/08/28/1118500828.db2.gz JOEQUVJTIUDXLT-HNNXBMFYSA-N 0 1 289.810 3.600 20 0 CHADMN c1cc([C@H]2CCCN2Cc2ccc3c(n2)CCC3)cs1 ZINC000580759790 1118501176 /nfs/dbraw/zinc/50/11/76/1118501176.db2.gz PZZWCTDRLAUKRL-QGZVFWFLSA-N 0 1 284.428 3.969 20 0 CHADMN CC(=O)Nc1cc(F)c(-c2cc(F)c(O)cc2F)cc1C ZINC001211339398 1118505379 /nfs/dbraw/zinc/50/53/79/1118505379.db2.gz OCAKBTVSKCFSNL-UHFFFAOYSA-N 0 1 295.260 3.743 20 0 CHADMN COc1cc(C)nc(CN[C@H](C)c2ccc(Cl)cc2)c1 ZINC000214076472 1118505645 /nfs/dbraw/zinc/50/56/45/1118505645.db2.gz OEPSQAHHDSEBGL-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CCOC(=O)c1ccc(-c2cc(F)c(O)cc2F)c(F)c1 ZINC001211350540 1118506274 /nfs/dbraw/zinc/50/62/74/1118506274.db2.gz SDCQFJAJULOIOP-UHFFFAOYSA-N 0 1 296.244 3.653 20 0 CHADMN CC[C@H](C)CCCCc1nc(C2(N)CCCC2)no1 ZINC000647137971 1118520315 /nfs/dbraw/zinc/52/03/15/1118520315.db2.gz VONQCNPILBWLJW-LBPRGKRZSA-N 0 1 265.401 3.557 20 0 CHADMN Cc1cc(-c2nc(-c3ccn4cncc4c3)no2)c(C)s1 ZINC000684117074 1118525064 /nfs/dbraw/zinc/52/50/64/1118525064.db2.gz WVQPUFQARFYEPE-UHFFFAOYSA-N 0 1 296.355 3.730 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccccc1)c1ccc(Cl)s1 ZINC000062999827 1118530533 /nfs/dbraw/zinc/53/05/33/1118530533.db2.gz IDGLWIPLETZDCQ-JQWIXIFHSA-N 0 1 281.808 3.786 20 0 CHADMN CCCCCN(C)Cc1cc(F)c(F)cc1OC ZINC001143387362 1118534829 /nfs/dbraw/zinc/53/48/29/1118534829.db2.gz FWNAJHMSUPMPDM-UHFFFAOYSA-N 0 1 257.324 3.595 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2cnn(C(C)C)c2)c(C)n1 ZINC000639580067 1118539979 /nfs/dbraw/zinc/53/99/79/1118539979.db2.gz KAWPGPRYBPNRPA-AWEZNQCLSA-N 0 1 286.423 3.635 20 0 CHADMN Cc1ncccc1CN1CCC[C@@H]1c1ccccc1F ZINC001207150743 1118540757 /nfs/dbraw/zinc/54/07/57/1118540757.db2.gz FERYEGJCNBZWNX-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN CCCCC[C@H](NC)c1nc(-c2cc(C)nc(C)c2)no1 ZINC001212281200 1128784709 /nfs/dbraw/zinc/78/47/09/1128784709.db2.gz MDEHUFZXRWQVIN-AWEZNQCLSA-N 0 1 288.395 3.589 20 0 CHADMN C/C(=C\c1ccc(Cl)cc1)c1nc([C@H]2CCCN2)no1 ZINC000647146755 1118550688 /nfs/dbraw/zinc/55/06/88/1118550688.db2.gz BAFQDEXNVPSQAL-WTNCMQEWSA-N 0 1 289.766 3.708 20 0 CHADMN CCC[C@@H](CN[C@H](c1ccccc1)c1ccccn1)OC ZINC000293763735 1118556056 /nfs/dbraw/zinc/55/60/56/1118556056.db2.gz VGJARUVAKYGQOW-FUHWJXTLSA-N 0 1 284.403 3.576 20 0 CHADMN CCCCC[C@H](NC)c1nc(-c2ccc(F)cc2)no1 ZINC001212281323 1128785813 /nfs/dbraw/zinc/78/58/13/1128785813.db2.gz SJEHRCXVRSUHFY-ZDUSSCGKSA-N 0 1 277.343 3.717 20 0 CHADMN CCO[C@H]1CCCN(Cc2cccc(C(F)F)c2)C1 ZINC000684203768 1118565495 /nfs/dbraw/zinc/56/54/95/1118565495.db2.gz PKGKFAPNHGUIGA-AWEZNQCLSA-N 0 1 269.335 3.625 20 0 CHADMN Fc1ccc(C2(NCc3cnc(C4CC4)nc3)CCC2)cc1 ZINC000656494592 1118566496 /nfs/dbraw/zinc/56/64/96/1118566496.db2.gz QHTVOPCZRKIQHT-UHFFFAOYSA-N 0 1 297.377 3.662 20 0 CHADMN CCC[C@@H](C)CC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000340976795 1118566722 /nfs/dbraw/zinc/56/67/22/1118566722.db2.gz RUWQRVHSONWKRZ-SNVBAGLBSA-N 0 1 259.353 3.636 20 0 CHADMN OC[C@H]1CCC[C@H](CNc2ccnc3cc(F)ccc32)C1 ZINC000340991961 1118573352 /nfs/dbraw/zinc/57/33/52/1118573352.db2.gz ZNGYKGMEBAELLI-STQMWFEESA-N 0 1 288.366 3.585 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000300288834 1118576184 /nfs/dbraw/zinc/57/61/84/1118576184.db2.gz UIUYPHIDPSVMIZ-MAUKXSAKSA-N 0 1 289.419 3.613 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1ccc(C(C)C)cc1 ZINC000111691781 1118580807 /nfs/dbraw/zinc/58/08/07/1118580807.db2.gz DMNOBBXXNHREQN-QGZVFWFLSA-N 0 1 259.393 3.754 20 0 CHADMN Cc1cnc(CNC2(c3cccc(C)c3)CCCC2)n1C ZINC000341008035 1118581554 /nfs/dbraw/zinc/58/15/54/1118581554.db2.gz KCDXQCJGCANZSX-UHFFFAOYSA-N 0 1 283.419 3.596 20 0 CHADMN COc1ccc2[nH]cc(CN3CCC[C@](C)(F)C3)c2c1 ZINC001138503636 1128786977 /nfs/dbraw/zinc/78/69/77/1128786977.db2.gz HUKRUGUHRDIHAG-INIZCTEOSA-N 0 1 276.355 3.501 20 0 CHADMN CCOc1ccc(CN2CCc3ccsc3C2)cc1 ZINC000341016800 1118585321 /nfs/dbraw/zinc/58/53/21/1118585321.db2.gz UQWGBZVYNWCTMT-UHFFFAOYSA-N 0 1 273.401 3.705 20 0 CHADMN Cc1nccc(N2CCC[C@H](C3CC3)C2)c1Cl ZINC000341026851 1118587010 /nfs/dbraw/zinc/58/70/10/1118587010.db2.gz BZKVWGZGERDGPX-LBPRGKRZSA-N 0 1 250.773 3.670 20 0 CHADMN COc1ccc(C)cc1CN1CCc2ccsc2C1 ZINC000341030967 1118589544 /nfs/dbraw/zinc/58/95/44/1118589544.db2.gz LDZZZIAQLORSID-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN CCc1ccc(NC(=O)c2cc3[nH]cnc3cc2F)cc1 ZINC000341042813 1118593077 /nfs/dbraw/zinc/59/30/77/1118593077.db2.gz KGNSPPLCBNPIFQ-UHFFFAOYSA-N 0 1 283.306 3.517 20 0 CHADMN CCc1noc(CN2CCCC[C@@H]2CCc2ccccc2)n1 ZINC000090010576 1118599113 /nfs/dbraw/zinc/59/91/13/1118599113.db2.gz ZRPCHLKBUQBZIH-MRXNPFEDSA-N 0 1 299.418 3.619 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1cc3cccnc3o1)CC2 ZINC000668479337 1118601497 /nfs/dbraw/zinc/60/14/97/1118601497.db2.gz OIOKCEVBHAMPHH-UHFFFAOYSA-N 0 1 278.355 3.695 20 0 CHADMN CC[C@H](C)N(C)Cc1coc(-c2ccc(C)cc2)n1 ZINC000072601563 1118605698 /nfs/dbraw/zinc/60/56/98/1118605698.db2.gz UFOMTZSDCCJSGJ-ZDUSSCGKSA-N 0 1 258.365 3.880 20 0 CHADMN CCN1C[C@@H](C)N(C(=O)C(C)(C)C2CCCCC2)C[C@@H]1C ZINC001127595758 1128789041 /nfs/dbraw/zinc/78/90/41/1128789041.db2.gz VZCBNIFDNOXGCW-LSDHHAIUSA-N 0 1 294.483 3.534 20 0 CHADMN C[C@H](c1cccc2ccccc21)N(C)CC(=O)NC(C)(C)C ZINC000066411514 1118619527 /nfs/dbraw/zinc/61/95/27/1118619527.db2.gz FHUZRVIXKARQOX-CQSZACIVSA-N 0 1 298.430 3.747 20 0 CHADMN FC(F)(F)CC1CN(Cc2cccc3cnccc32)C1 ZINC000656688994 1118637518 /nfs/dbraw/zinc/63/75/18/1118637518.db2.gz YNYCUMNCSAXQSY-UHFFFAOYSA-N 0 1 280.293 3.619 20 0 CHADMN O[C@H](CCc1ccccc1)CN1CC[C@H]1c1ccc(F)cc1 ZINC000656707586 1118641373 /nfs/dbraw/zinc/64/13/73/1118641373.db2.gz DWEAQFQOIDFHHB-MOPGFXCFSA-N 0 1 299.389 3.566 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCc2ccc(C(C)C)cc2C1 ZINC000656758581 1118650008 /nfs/dbraw/zinc/65/00/08/1118650008.db2.gz IKPVWXVVBXEYCF-QGZVFWFLSA-N 0 1 289.419 3.667 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])[C@H](C)C1 ZINC000656757210 1118650527 /nfs/dbraw/zinc/65/05/27/1118650527.db2.gz MKWMZZIUSFEDFO-GHMZBOCLSA-N 0 1 281.783 3.659 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656760755 1118651778 /nfs/dbraw/zinc/65/17/78/1118651778.db2.gz HBHOZYNTNUVGCW-CYBMUJFWSA-N 0 1 293.432 3.849 20 0 CHADMN Cc1oncc1CN[C@H](C)c1cccc(OC(C)C)c1 ZINC000129755402 1118653864 /nfs/dbraw/zinc/65/38/64/1118653864.db2.gz NJIUBERUCSUZIP-GFCCVEGCSA-N 0 1 274.364 3.621 20 0 CHADMN COc1ccc(CNc2nccc(C)c2C2CC2)c(OC)c1 ZINC000656779880 1118654505 /nfs/dbraw/zinc/65/45/05/1118654505.db2.gz WMPBYRLTGWVNHT-UHFFFAOYSA-N 0 1 298.386 3.897 20 0 CHADMN CO[C@@H]1C[C@H](N[C@@H](c2ccco2)c2ccccc2)C12CCC2 ZINC000308386278 1118659805 /nfs/dbraw/zinc/65/98/05/1118659805.db2.gz DTJWPLUQCSFLSH-RCCFBDPRSA-N 0 1 297.398 3.916 20 0 CHADMN Cc1nc(C)c([C@@H](C)[N@@H+](C)CCC(F)(F)F)s1 ZINC000077283446 1118662148 /nfs/dbraw/zinc/66/21/48/1118662148.db2.gz WXHXKGYZYSYFDV-MRVPVSSYSA-N 0 1 266.332 3.705 20 0 CHADMN Cc1nc(C)c([C@@H](C)N(C)CCC(F)(F)F)s1 ZINC000077283446 1118662152 /nfs/dbraw/zinc/66/21/52/1118662152.db2.gz WXHXKGYZYSYFDV-MRVPVSSYSA-N 0 1 266.332 3.705 20 0 CHADMN COc1ccc(CN(C)Cc2nc(Cl)ccc2C)cc1 ZINC001140442655 1118667472 /nfs/dbraw/zinc/66/74/72/1118667472.db2.gz LRHWGYIYUYNWER-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN O=C1C[C@]2(CCCN([C@@H]3C=CCCC3)C2)Oc2ccccc21 ZINC000625800783 1118667621 /nfs/dbraw/zinc/66/76/21/1118667621.db2.gz MWXZDVBCLLAIQZ-BEFAXECRSA-N 0 1 297.398 3.595 20 0 CHADMN CCN1C[C@H](C)N(C(=O)C[C@H](C)C2CCCCC2)C[C@H]1C ZINC001266797220 1118669872 /nfs/dbraw/zinc/66/98/72/1118669872.db2.gz ISJWJPJZKCGEFT-XHSDSOJGSA-N 0 1 294.483 3.534 20 0 CHADMN COc1ccnc(Nc2ccc(OCC(C)C)cc2)c1 ZINC001212283850 1128793260 /nfs/dbraw/zinc/79/32/60/1128793260.db2.gz RGHCCXOTARIWJF-UHFFFAOYSA-N 0 1 272.348 3.869 20 0 CHADMN COc1ccc(C[C@H](C)CNC(C)(C)C(F)F)cc1F ZINC000684414325 1118687660 /nfs/dbraw/zinc/68/76/60/1118687660.db2.gz ZFZWSMHCUMNOJJ-JTQLQIEISA-N 0 1 289.341 3.646 20 0 CHADMN C[C@H](NC(C)(C)C(F)F)C1CCC(F)(F)CC1 ZINC000684414045 1118688617 /nfs/dbraw/zinc/68/86/17/1118688617.db2.gz QPEJBGLDJKYZKA-QMMMGPOBSA-N 0 1 255.299 3.834 20 0 CHADMN Cc1ccc2sc(C[N@@H+]3C[C@H](C)[C@H](C)C3)nc2c1 ZINC001167481940 1118689671 /nfs/dbraw/zinc/68/96/71/1118689671.db2.gz AXDSHYZTLRYBHY-TXEJJXNPSA-N 0 1 260.406 3.693 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@@H]2c2cccs2)o1 ZINC000891497722 1118695936 /nfs/dbraw/zinc/69/59/36/1118695936.db2.gz GNQFPUQPVFZAAC-GFCCVEGCSA-N 0 1 263.362 3.687 20 0 CHADMN COc1ccc(CN2CCC[C@@H]2c2cccs2)o1 ZINC000891497722 1118695937 /nfs/dbraw/zinc/69/59/37/1118695937.db2.gz GNQFPUQPVFZAAC-GFCCVEGCSA-N 0 1 263.362 3.687 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H]2c2cccs2)cnc1F ZINC000891499099 1118696187 /nfs/dbraw/zinc/69/61/87/1118696187.db2.gz MMSDMUHUOMHDOX-ZDUSSCGKSA-N 0 1 276.380 3.928 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2cccs2)cnc1F ZINC000891499099 1118696189 /nfs/dbraw/zinc/69/61/89/1118696189.db2.gz MMSDMUHUOMHDOX-ZDUSSCGKSA-N 0 1 276.380 3.928 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3C[C@H](C)CC3(C)C)n[nH]2)cc1 ZINC000471705297 1118696906 /nfs/dbraw/zinc/69/69/06/1118696906.db2.gz JDEWPKXLSZYAIX-CYBMUJFWSA-N 0 1 297.402 3.646 20 0 CHADMN CCn1cc(CN(C)[C@@H](C)c2ccc(F)cc2)c(C)n1 ZINC000891536914 1118705422 /nfs/dbraw/zinc/70/54/22/1118705422.db2.gz OKWGSTLPNPLETC-ZDUSSCGKSA-N 0 1 275.371 3.544 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cc2cn3cccc(F)c3n2)C1 ZINC000684429230 1118705631 /nfs/dbraw/zinc/70/56/31/1118705631.db2.gz SURBBXVAJLIFDP-ZDUSSCGKSA-N 0 1 289.398 3.732 20 0 CHADMN C[C@H]1c2ccsc2CCN1C[C@H](O)c1cccc(F)c1 ZINC000051261893 1118711760 /nfs/dbraw/zinc/71/17/60/1118711760.db2.gz UGOJFUZBIIPGJO-NHYWBVRUSA-N 0 1 291.391 3.540 20 0 CHADMN Cc1ccc(CN(CCO)Cc2ccc([C@H]3C[C@H]3C)o2)cc1 ZINC000341530244 1118721177 /nfs/dbraw/zinc/72/11/77/1118721177.db2.gz MRKOCAWPSQEHGB-QAPCUYQASA-N 0 1 299.414 3.706 20 0 CHADMN CC(C)(C)c1coc(CN2CC[C@@H](c3ccccc3)C2)n1 ZINC000891630069 1118726312 /nfs/dbraw/zinc/72/63/12/1118726312.db2.gz KIATUBYBARJNQO-OAHLLOKOSA-N 0 1 284.403 3.962 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1cc(C)cc(C)c1)CCO2 ZINC000341543703 1118731495 /nfs/dbraw/zinc/73/14/95/1118731495.db2.gz ZPWBDEDCAONVBV-GOSISDBHSA-N 0 1 297.398 3.925 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnc(C)s1)c1c(C)nn(C)c1C ZINC000090418381 1118734062 /nfs/dbraw/zinc/73/40/62/1118734062.db2.gz OCZDVROVZGFUOX-NOZJJQNGSA-N 0 1 292.452 3.604 20 0 CHADMN CC(C)=CCN1CCC[C@@H]1c1nc2ccccc2n1C ZINC000084116765 1118736315 /nfs/dbraw/zinc/73/63/15/1118736315.db2.gz NEDHMHFGASCHQC-MRXNPFEDSA-N 0 1 269.392 3.676 20 0 CHADMN COc1ccc(F)c(F)c1CN1CCC[C@@H](C)CC1 ZINC001143405046 1118741908 /nfs/dbraw/zinc/74/19/08/1118741908.db2.gz TUJWNTCPZPJZEW-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN CC[C@H](NCc1cccc(F)c1)c1ccc(F)cn1 ZINC000131248545 1118759598 /nfs/dbraw/zinc/75/95/98/1118759598.db2.gz OGNFDUUYIGEELF-AWEZNQCLSA-N 0 1 262.303 3.601 20 0 CHADMN Cc1c([C@@H](C)NCc2cccc(C(F)F)c2)cnn1C ZINC000131814626 1118766890 /nfs/dbraw/zinc/76/68/90/1118766890.db2.gz WTDYVZOFBABLEO-SNVBAGLBSA-N 0 1 279.334 3.517 20 0 CHADMN c1ccc(CSCC[N@H+]2CCOCC23CCCC3)cc1 ZINC000430749898 1118767083 /nfs/dbraw/zinc/76/70/83/1118767083.db2.gz LXGFLAKTBYUQGM-UHFFFAOYSA-N 0 1 291.460 3.565 20 0 CHADMN CCc1nnc([C@H](C)N[C@H](C)C(C)(C)c2ccccc2)o1 ZINC000341642458 1118775319 /nfs/dbraw/zinc/77/53/19/1118775319.db2.gz VCZBOIOYEDPEKY-QWHCGFSZSA-N 0 1 287.407 3.649 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2CCc3c2cccc3C)o1 ZINC000426326610 1118778128 /nfs/dbraw/zinc/77/81/28/1118778128.db2.gz YPPDIUDKOIASHL-OAHLLOKOSA-N 0 1 270.376 3.631 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2cc3c(cccc3F)[nH]2)C1 ZINC000430862397 1118779303 /nfs/dbraw/zinc/77/93/03/1118779303.db2.gz DRIKBMVSCBSOPS-LLVKDONJSA-N 0 1 258.340 3.705 20 0 CHADMN COc1ccc2cc(C[N@H+]3CCO[C@H]4CCC[C@H]43)ccc2c1 ZINC000430865776 1118779828 /nfs/dbraw/zinc/77/98/28/1118779828.db2.gz FFMKAEMFZRTVHP-MOPGFXCFSA-N 0 1 297.398 3.602 20 0 CHADMN COc1ccc2cc(CN3CCO[C@H]4CCC[C@H]43)ccc2c1 ZINC000430865776 1118779829 /nfs/dbraw/zinc/77/98/29/1118779829.db2.gz FFMKAEMFZRTVHP-MOPGFXCFSA-N 0 1 297.398 3.602 20 0 CHADMN Cc1ccccc1-n1nccc1CN1CC(C)=C[C@H](C)C1 ZINC000430880265 1118782473 /nfs/dbraw/zinc/78/24/73/1118782473.db2.gz WPNURAUWHRFVPE-AWEZNQCLSA-N 0 1 281.403 3.579 20 0 CHADMN Clc1ccc(/C=C\CN2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000510661401 1118784184 /nfs/dbraw/zinc/78/41/84/1118784184.db2.gz YOONPDMADDQGBG-UVCACSLRSA-N 0 1 277.795 3.607 20 0 CHADMN COc1cc([C@@H](C)NCCF)ccc1OC1CCCC1 ZINC000341658280 1118787283 /nfs/dbraw/zinc/78/72/83/1118787283.db2.gz MGAJHAWNZUWGSN-GFCCVEGCSA-N 0 1 281.371 3.637 20 0 CHADMN Oc1ccc(F)c(CNCCCc2cccc(F)c2)c1F ZINC000510705631 1118791008 /nfs/dbraw/zinc/79/10/08/1118791008.db2.gz XASIRTXRXLFEIB-UHFFFAOYSA-N 0 1 295.304 3.532 20 0 CHADMN [O-]c1ccc(F)c(C[NH2+]CCCc2cccc(F)c2)c1F ZINC000510705631 1118791012 /nfs/dbraw/zinc/79/10/12/1118791012.db2.gz XASIRTXRXLFEIB-UHFFFAOYSA-N 0 1 295.304 3.532 20 0 CHADMN CC(C)n1ccnc1CN[C@@]1(C)CCCc2ccccc21 ZINC000341693452 1118799107 /nfs/dbraw/zinc/79/91/07/1118799107.db2.gz SFILHLQYXRBHCX-SFHVURJKSA-N 0 1 283.419 3.805 20 0 CHADMN CN(Cc1nc(C(C)(C)C)co1)CC1CCCC1 ZINC000891846243 1118799740 /nfs/dbraw/zinc/79/97/40/1118799740.db2.gz KEBDIIPIXXLYFM-UHFFFAOYSA-N 0 1 250.386 3.594 20 0 CHADMN C[C@H](CCc1c(F)cccc1F)NCc1cscn1 ZINC000510730498 1118803593 /nfs/dbraw/zinc/80/35/93/1118803593.db2.gz COBUDBAGKMKCBN-SNVBAGLBSA-N 0 1 282.359 3.532 20 0 CHADMN CCCCc1noc([C@H](C)N[C@@H]2CC3CCC2CC3)n1 ZINC000431089679 1118826695 /nfs/dbraw/zinc/82/66/95/1118826695.db2.gz ZUVONBBUKJNILK-GFJIZPEISA-N 0 1 277.412 3.642 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2c(F)c(F)ccc2OC)C1 ZINC001143413511 1118833616 /nfs/dbraw/zinc/83/36/16/1118833616.db2.gz QSVNFIHBLJQRKI-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CC[C@H]1CCCN(Cc2c(F)c(F)ccc2OC)C1 ZINC001143413511 1118833623 /nfs/dbraw/zinc/83/36/23/1118833623.db2.gz QSVNFIHBLJQRKI-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CN(C(=O)c1cnc(-c2ccccc2)[nH]1)[C@@H]1CCC(C)(C)C1 ZINC000510872668 1118836989 /nfs/dbraw/zinc/83/69/89/1118836989.db2.gz AEOLDZSKPRZNBN-CQSZACIVSA-N 0 1 297.402 3.727 20 0 CHADMN Fc1cccc(CC2CCN(Cc3cncs3)CC2)c1 ZINC000092102980 1118840075 /nfs/dbraw/zinc/84/00/75/1118840075.db2.gz UCKCCKPHYCVCBE-UHFFFAOYSA-N 0 1 290.407 3.737 20 0 CHADMN CC(C)(C)c1cnc(CN2CCCSC[C@@H]2C2CC2)o1 ZINC000933916138 1118843550 /nfs/dbraw/zinc/84/35/50/1118843550.db2.gz OVLMQBVWZDOGPM-CYBMUJFWSA-N 0 1 294.464 3.690 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cccc(C(F)F)c1 ZINC000132287250 1118846303 /nfs/dbraw/zinc/84/63/03/1118846303.db2.gz POZRKRFAEMDEKV-AWEZNQCLSA-N 0 1 297.345 3.844 20 0 CHADMN OCC[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000093106218 1118857180 /nfs/dbraw/zinc/85/71/80/1118857180.db2.gz PHCPJUHQERLLJM-LLVKDONJSA-N 0 1 288.218 3.588 20 0 CHADMN Cc1ccc(OC2CCN(Cc3ncccc3C)CC2)cc1 ZINC000093174586 1118858365 /nfs/dbraw/zinc/85/83/65/1118858365.db2.gz CTWDCMXGBMRRHY-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN Cc1oc(C(C)C)nc1C(=O)Nc1cccc(Cl)c1O ZINC000285763051 1118861240 /nfs/dbraw/zinc/86/12/40/1118861240.db2.gz MPKMDJJCDPVIIS-UHFFFAOYSA-N 0 1 294.738 3.718 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1nccn1C1CC1)C1CC1 ZINC000891943667 1118862198 /nfs/dbraw/zinc/86/21/98/1118862198.db2.gz TUCBZMMFDZUMNT-OLZOCXBDSA-N 0 1 261.413 3.617 20 0 CHADMN CCCc1csc(CN2CCC[C@@H](C)[C@@H]2C)n1 ZINC000426418271 1118871865 /nfs/dbraw/zinc/87/18/65/1118871865.db2.gz WKDJNTMMTXZZKV-NEPJUHHUSA-N 0 1 252.427 3.716 20 0 CHADMN Cc1cscc1CN[C@@H](C)c1cccc2c1OCO2 ZINC000926300318 1118872830 /nfs/dbraw/zinc/87/28/30/1118872830.db2.gz BBNQGPKELVETMQ-NSHDSACASA-N 0 1 275.373 3.636 20 0 CHADMN C[C@@H]1CCC[C@H](CN2CC(C)(C)[C@H]2c2nccn2C)C1 ZINC000449415497 1118875510 /nfs/dbraw/zinc/87/55/10/1118875510.db2.gz PFKVNYXJEHMWHH-QLFBSQMISA-N 0 1 275.440 3.629 20 0 CHADMN Cc1nc(CCN2CCc3cccc(F)c3[C@@H]2C)cs1 ZINC000535763390 1118881720 /nfs/dbraw/zinc/88/17/20/1118881720.db2.gz ZWLYFCQQVUVLJN-NSHDSACASA-N 0 1 290.407 3.752 20 0 CHADMN Cc1nocc1CN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000294056204 1118883985 /nfs/dbraw/zinc/88/39/85/1118883985.db2.gz JRLVHSDKQFWARB-GFCCVEGCSA-N 0 1 274.364 3.621 20 0 CHADMN CCc1ccc(CC(=O)Nc2ccc3c(C)[nH]nc3c2)cc1 ZINC000535819532 1118892848 /nfs/dbraw/zinc/89/28/48/1118892848.db2.gz YKWFCXKLVIQKSX-UHFFFAOYSA-N 0 1 293.370 3.615 20 0 CHADMN CCc1ccc(CNCc2cccc(O)c2Cl)s1 ZINC000294059347 1118893310 /nfs/dbraw/zinc/89/33/10/1118893310.db2.gz JVKBTYQKQHJOFB-UHFFFAOYSA-N 0 1 281.808 3.959 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000294059898 1118896469 /nfs/dbraw/zinc/89/64/69/1118896469.db2.gz JYWHVTCFSVIXGE-YDHLFZDLSA-N 0 1 255.365 3.548 20 0 CHADMN Clc1ccc(CN[C@H](c2cccnc2)C2CCC2)o1 ZINC000684612046 1118899607 /nfs/dbraw/zinc/89/96/07/1118899607.db2.gz PWLGMAIWFKSEGU-HNNXBMFYSA-N 0 1 276.767 3.959 20 0 CHADMN CCc1cc(CN[C@@H]2CCCc3ccc(C)cc32)on1 ZINC000535839110 1118906027 /nfs/dbraw/zinc/90/60/27/1118906027.db2.gz NPQDPUNJKCNCHC-QGZVFWFLSA-N 0 1 270.376 3.713 20 0 CHADMN C[C@@]1(F)CCN(Cc2ccc(-c3ccccc3)o2)C1 ZINC000535842643 1118906174 /nfs/dbraw/zinc/90/61/74/1118906174.db2.gz GLTZQTFMMWZVQG-MRXNPFEDSA-N 0 1 259.324 3.881 20 0 CHADMN Cc1cccc(CCCN2CCO[C@@H](c3ccco3)C2)c1 ZINC000181143436 1118907636 /nfs/dbraw/zinc/90/76/36/1118907636.db2.gz KFNPWCHLJUJNJC-GOSISDBHSA-N 0 1 285.387 3.594 20 0 CHADMN CN(Cc1cc(Cl)ccc1Cl)C[C@H]1CCC[C@@H]1O ZINC000535875978 1118914650 /nfs/dbraw/zinc/91/46/50/1118914650.db2.gz MEIAEIGHWGUSDV-YGRLFVJLSA-N 0 1 288.218 3.586 20 0 CHADMN CCCCc1noc(CN[C@H](C)[C@H](C)c2ccccc2)n1 ZINC000181537233 1118918448 /nfs/dbraw/zinc/91/84/48/1118918448.db2.gz SZRRQVOODDXNPK-UONOGXRCSA-N 0 1 287.407 3.694 20 0 CHADMN CCCCN(C)CC(=O)Nc1c(C)cccc1C(C)C ZINC000048614700 1118922970 /nfs/dbraw/zinc/92/29/70/1118922970.db2.gz TZSMEWGGIVQIJN-UHFFFAOYSA-N 0 1 276.424 3.789 20 0 CHADMN Fc1ccccc1[C@H]1CCN(Cc2ccnn2C2CCC2)C1 ZINC000891994874 1118931202 /nfs/dbraw/zinc/93/12/02/1118931202.db2.gz DNSJFHYWNHVMPV-AWEZNQCLSA-N 0 1 299.393 3.737 20 0 CHADMN CCc1nc([C@H](C)Sc2nc(-c3ccccc3)c[nH]2)n[nH]1 ZINC000657241620 1118931266 /nfs/dbraw/zinc/93/12/66/1118931266.db2.gz DQBPCRFTXPCKFR-JTQLQIEISA-N 0 1 299.403 3.611 20 0 CHADMN CCc1nc([C@@H](C)Sc2nc3cc(C)ccc3o2)n[nH]1 ZINC000657250148 1118934268 /nfs/dbraw/zinc/93/42/68/1118934268.db2.gz VCVZDUSTDWBFIE-SECBINFHSA-N 0 1 288.376 3.670 20 0 CHADMN C[C@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)CC[C@H]1C(=O)[O-] ZINC000314479448 1118935623 /nfs/dbraw/zinc/93/56/23/1118935623.db2.gz FXFWUXHUMVTROE-SLTXQBBLSA-N 0 1 295.467 3.882 20 0 CHADMN C[C@@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)CC[C@H]1C(=O)[O-] ZINC000314479443 1118936089 /nfs/dbraw/zinc/93/60/89/1118936089.db2.gz FXFWUXHUMVTROE-PRLABOORSA-N 0 1 295.467 3.882 20 0 CHADMN CC(C)c1ccc(CN[C@@H](CO)c2ccsc2)cc1 ZINC000472057432 1118953281 /nfs/dbraw/zinc/95/32/81/1118953281.db2.gz IJGDYJUALHFXBF-INIZCTEOSA-N 0 1 275.417 3.695 20 0 CHADMN Cc1ccc(C[C@H](C)N(C)Cc2nccn2C2CC2)cc1 ZINC000892080179 1118959099 /nfs/dbraw/zinc/95/90/99/1118959099.db2.gz CNCZZLGWOOJJRR-HNNXBMFYSA-N 0 1 283.419 3.589 20 0 CHADMN CC[C@@H](CNCc1nccc(C(F)F)n1)c1ccccc1 ZINC000342262987 1118961024 /nfs/dbraw/zinc/96/10/24/1118961024.db2.gz IWDVQGRYGQWLJV-LBPRGKRZSA-N 0 1 291.345 3.698 20 0 CHADMN CC1CCC(N(C)CC(=O)c2c[nH]c3ccccc23)CC1 ZINC000042302885 1118963705 /nfs/dbraw/zinc/96/37/05/1118963705.db2.gz ABQPXFACNRCQQD-UHFFFAOYSA-N 0 1 284.403 3.861 20 0 CHADMN CCCCC1(NCc2csc(C3CC3)n2)CC1 ZINC000934206695 1118969194 /nfs/dbraw/zinc/96/91/94/1118969194.db2.gz UVGQZTNAZMWSAI-UHFFFAOYSA-N 0 1 250.411 3.833 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2nc3cc(F)ccc3o2)C1 ZINC000151896595 1118979455 /nfs/dbraw/zinc/97/94/55/1118979455.db2.gz PQYNAECIWVFWSP-QWRGUYRKSA-N 0 1 262.328 3.587 20 0 CHADMN Fc1c(CNCc2ccsc2)cccc1OC1CC1 ZINC000657311385 1118986441 /nfs/dbraw/zinc/98/64/41/1118986441.db2.gz YBTKUBNULCTUPA-UHFFFAOYSA-N 0 1 277.364 3.718 20 0 CHADMN COCc1csc(CNCc2cc3ccccc3o2)c1 ZINC000657312896 1118987033 /nfs/dbraw/zinc/98/70/33/1118987033.db2.gz LVMBLHBNRLKYAG-UHFFFAOYSA-N 0 1 287.384 3.931 20 0 CHADMN C[C@H](CNCc1nc(C(C)(C)C)co1)CC(F)(F)F ZINC000724414522 1118995325 /nfs/dbraw/zinc/99/53/25/1118995325.db2.gz VFCLWTZEMLMTDO-VIFPVBQESA-N 0 1 278.318 3.650 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1cnc2n1CCC2 ZINC000657319011 1118996938 /nfs/dbraw/zinc/99/69/38/1118996938.db2.gz ZJALHTILIUIOSA-OAHLLOKOSA-N 0 1 299.418 3.534 20 0 CHADMN CC(C)c1nc([C@@H](C)NC(=O)CCCCC(C)(C)C)n[nH]1 ZINC000342400770 1119002567 /nfs/dbraw/zinc/00/25/67/1119002567.db2.gz KSHOOFBFVGTLFR-GFCCVEGCSA-N 0 1 294.443 3.712 20 0 CHADMN CCc1ccc(CNCc2c(C3CCC3)cnn2C)cc1 ZINC000657335878 1119008327 /nfs/dbraw/zinc/00/83/27/1119008327.db2.gz KPTLKNXJEBSDEU-UHFFFAOYSA-N 0 1 283.419 3.540 20 0 CHADMN CCN(Cc1cccc(F)c1OCC(F)(F)F)C1CC1 ZINC000628133591 1128815653 /nfs/dbraw/zinc/81/56/53/1128815653.db2.gz JQGGWGJYPSJDQR-UHFFFAOYSA-N 0 1 291.288 3.751 20 0 CHADMN C[C@@H]1CSCCCN1Cc1ncc(-c2ccccc2)o1 ZINC000934303458 1119016161 /nfs/dbraw/zinc/01/61/61/1119016161.db2.gz DJVWCHKNIGJGBS-CYBMUJFWSA-N 0 1 288.416 3.669 20 0 CHADMN C[C@@H]1CN(Cc2cn3ccnc3s2)[C@@H]1c1ccccc1 ZINC000892195124 1119016596 /nfs/dbraw/zinc/01/65/96/1119016596.db2.gz NJPBVENXYPDYAV-DOMZBBRYSA-N 0 1 283.400 3.589 20 0 CHADMN CC1(C)CC[C@H](NCc2cc3n(n2)CCC3)c2ccccc21 ZINC000657348970 1119018147 /nfs/dbraw/zinc/01/81/47/1119018147.db2.gz NUAKXUCJRFKTCK-SFHVURJKSA-N 0 1 295.430 3.732 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@H]1NCc1cccc2cccnc21 ZINC000342425046 1119018287 /nfs/dbraw/zinc/01/82/87/1119018287.db2.gz UPXHFACYGVUVOX-UGSOOPFHSA-N 0 1 290.366 3.847 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccccc2-n2ccnc2)o1 ZINC000152266299 1119024800 /nfs/dbraw/zinc/02/48/00/1119024800.db2.gz NEZOTJBWVRCWHI-AWEZNQCLSA-N 0 1 281.359 3.625 20 0 CHADMN COCc1csc(CN[C@H](C)c2cnn(C(C)C)c2)c1 ZINC000657358834 1119026223 /nfs/dbraw/zinc/02/62/23/1119026223.db2.gz HNDPPWDKNVXXET-GFCCVEGCSA-N 0 1 293.436 3.523 20 0 CHADMN C[C@H](N(C)Cc1c(Cl)n[nH]c1C1CC1)C1(C)CC1 ZINC000892220867 1119033593 /nfs/dbraw/zinc/03/35/93/1119033593.db2.gz ZOWYRYLZIJDZSD-VIFPVBQESA-N 0 1 267.804 3.561 20 0 CHADMN Cc1ccc2nc(CNc3ccc(Cl)cn3)[nH]c2c1 ZINC000342455490 1119034751 /nfs/dbraw/zinc/03/47/51/1119034751.db2.gz UFSMXWVKNFBZPY-UHFFFAOYSA-N 0 1 272.739 3.532 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](CO)c2sccc2C)o1 ZINC000358400133 1119034847 /nfs/dbraw/zinc/03/48/47/1119034847.db2.gz LFFNQWOJMZDFGH-WCQYABFASA-N 0 1 279.405 3.596 20 0 CHADMN CCc1ccccc1CNCc1ccc(F)c(F)c1F ZINC000657371686 1119036006 /nfs/dbraw/zinc/03/60/06/1119036006.db2.gz KVRSKBLJBKIROK-UHFFFAOYSA-N 0 1 279.305 3.956 20 0 CHADMN Fc1ccc(CN(CC2CC2)C[C@@H]2CCCO2)c(Cl)c1 ZINC000511093152 1119037728 /nfs/dbraw/zinc/03/77/28/1119037728.db2.gz CMZRIAUUBXQZQR-HNNXBMFYSA-N 0 1 297.801 3.870 20 0 CHADMN CCC[C@H](NCc1noc(-c2cccs2)n1)C1CCC1 ZINC000657372595 1119038228 /nfs/dbraw/zinc/03/82/28/1119038228.db2.gz ZTWYADMRFGPHEV-LBPRGKRZSA-N 0 1 291.420 3.857 20 0 CHADMN CCc1cccc2cc(CN[C@H](C)c3cnn(C)c3)oc21 ZINC000657374212 1119038818 /nfs/dbraw/zinc/03/88/18/1119038818.db2.gz JUWFTWHWNNFWBW-GFCCVEGCSA-N 0 1 283.375 3.580 20 0 CHADMN CCc1cccc2cc(CNC(C)(C)c3cnn(C)c3)oc21 ZINC000657376683 1119039385 /nfs/dbraw/zinc/03/93/85/1119039385.db2.gz TZMMLBJCNZLIPR-UHFFFAOYSA-N 0 1 297.402 3.754 20 0 CHADMN Cc1c[nH]c(CN[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)n1 ZINC000657378059 1119041201 /nfs/dbraw/zinc/04/12/01/1119041201.db2.gz XBAWUJLXDVWCMN-JMPLFQLZSA-N 0 1 289.810 3.858 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2cccc(Cl)c2)nc1 ZINC000342471238 1119042431 /nfs/dbraw/zinc/04/24/31/1119042431.db2.gz LMDDRBIZFZMIFQ-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN Cc1ncc(CN2CCC(Cc3cccc(F)c3)CC2)o1 ZINC000628148365 1128817926 /nfs/dbraw/zinc/81/79/26/1128817926.db2.gz OBMZXXFZNBFVRU-UHFFFAOYSA-N 0 1 288.366 3.577 20 0 CHADMN CSc1ccc(CN(C)Cc2ccc(C)cn2)cc1 ZINC000130595677 1119049723 /nfs/dbraw/zinc/04/97/23/1119049723.db2.gz UKBDLYQIRNVEKB-UHFFFAOYSA-N 0 1 272.417 3.744 20 0 CHADMN C[C@H](N[C@@H]1CCOC12CCCC2)c1nc2ccccc2o1 ZINC000934386878 1119056423 /nfs/dbraw/zinc/05/64/23/1119056423.db2.gz UBIYZBRIMPAHRJ-SWLSCSKDSA-N 0 1 286.375 3.580 20 0 CHADMN c1c(CN[C@@H]2CCOC23CCCC3)noc1-c1ccccc1 ZINC000934398075 1119060704 /nfs/dbraw/zinc/06/07/04/1119060704.db2.gz RFEKJDJSMXRJDR-QGZVFWFLSA-N 0 1 298.386 3.533 20 0 CHADMN Cc1cccc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1C ZINC000135051477 1119064097 /nfs/dbraw/zinc/06/40/97/1119064097.db2.gz ZEMYLGQIWWJOJN-MRXNPFEDSA-N 0 1 289.419 3.626 20 0 CHADMN OCC[C@@H](NCc1cccc(C2CC2)c1)c1ccccc1F ZINC000647250240 1119068478 /nfs/dbraw/zinc/06/84/78/1119068478.db2.gz RYDPBBINMFMVLW-LJQANCHMSA-N 0 1 299.389 3.916 20 0 CHADMN CCc1cccc2cc(CN[C@H](C)c3cn[nH]c3)oc21 ZINC000657418867 1119072180 /nfs/dbraw/zinc/07/21/80/1119072180.db2.gz NJHAYVHTDJUUMJ-LLVKDONJSA-N 0 1 269.348 3.569 20 0 CHADMN C[C@H]1CCCc2ccccc2[C@H]1NCc1cc2n(n1)CCC2 ZINC000657434345 1119085979 /nfs/dbraw/zinc/08/59/79/1119085979.db2.gz GFVYKOXXFSXSET-LIRRHRJNSA-N 0 1 295.430 3.633 20 0 CHADMN Cc1cc(C)c(CN2CC[C@@H]2c2ccccc2)c(C)n1 ZINC001167576436 1119089312 /nfs/dbraw/zinc/08/93/12/1119089312.db2.gz MPOBIBNENZSKCS-GOSISDBHSA-N 0 1 266.388 3.954 20 0 CHADMN c1cc(CN[C@H]2CCCc3sccc32)n(CC2CC2)n1 ZINC000657436688 1119089716 /nfs/dbraw/zinc/08/97/16/1119089716.db2.gz GHZQWBFZPOJBAD-HNNXBMFYSA-N 0 1 287.432 3.522 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1cc2ccc(C)cc2[nH]1 ZINC000657442193 1119093588 /nfs/dbraw/zinc/09/35/88/1119093588.db2.gz OTSCOUZPHHMMRD-CYBMUJFWSA-N 0 1 295.386 3.731 20 0 CHADMN C[C@H](c1c(F)cccc1F)[N@@H+](C)CC[C@H]1CCCO1 ZINC000342589244 1119093625 /nfs/dbraw/zinc/09/36/25/1119093625.db2.gz MIOVFOJPTDTTRT-VXGBXAGGSA-N 0 1 269.335 3.527 20 0 CHADMN C[C@H](c1c(F)cccc1F)N(C)CC[C@H]1CCCO1 ZINC000342589244 1119093631 /nfs/dbraw/zinc/09/36/31/1119093631.db2.gz MIOVFOJPTDTTRT-VXGBXAGGSA-N 0 1 269.335 3.527 20 0 CHADMN CCN(Cc1ccoc1)c1ccnc(C)c1Cl ZINC000684889821 1119094160 /nfs/dbraw/zinc/09/41/60/1119094160.db2.gz HSMLEOQEZPYYBG-UHFFFAOYSA-N 0 1 250.729 3.663 20 0 CHADMN CCC[N@@H+](C)CC(=O)N[C@@H](c1ccccc1C)C(C)(C)C ZINC000431421923 1119094366 /nfs/dbraw/zinc/09/43/66/1119094366.db2.gz YYSNSOPEJPNDJA-KRWDZBQOSA-N 0 1 290.451 3.540 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1cc2ccncc2s1 ZINC000657441948 1119094880 /nfs/dbraw/zinc/09/48/80/1119094880.db2.gz KQGKRXAUMIQSIK-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN Cc1nccc(N2CCC[C@H](C[C@H]3CCOC3)C2)c1Cl ZINC000684890875 1119095202 /nfs/dbraw/zinc/09/52/02/1119095202.db2.gz RQOCUHWTAXRGPT-ZIAGYGMSSA-N 0 1 294.826 3.686 20 0 CHADMN [O-]c1cccc(C[NH2+]CC2CCC(F)CC2)c1Cl ZINC000647252789 1119098278 /nfs/dbraw/zinc/09/82/78/1119098278.db2.gz VPFZEPNYAJBUMS-UHFFFAOYSA-N 0 1 271.763 3.664 20 0 CHADMN OCc1cc(Nc2cccc(Cl)c2Cl)ccn1 ZINC001216442112 1119099098 /nfs/dbraw/zinc/09/90/98/1119099098.db2.gz RTVXGFGNBKUNAY-UHFFFAOYSA-N 0 1 269.131 3.624 20 0 CHADMN c1coc(-c2nc(CN3C[C@@H]4CCC[C@@H]4C3)cs2)c1 ZINC000152665609 1119104055 /nfs/dbraw/zinc/10/40/55/1119104055.db2.gz YIXAOBDABSRTRL-TXEJJXNPSA-N 0 1 274.389 3.635 20 0 CHADMN COc1ccc(Nc2ccnc(C(C)(C)C)c2)nc1OC ZINC001213160656 1119108329 /nfs/dbraw/zinc/10/83/29/1119108329.db2.gz DAIAJEKJLGAQEM-UHFFFAOYSA-N 0 1 287.363 3.535 20 0 CHADMN CC[C@H]1C[C@@H](NCc2ccc(-c3ccco3)cc2F)CO1 ZINC000657456523 1119109352 /nfs/dbraw/zinc/10/93/52/1119109352.db2.gz ZWCPOOXTUPSAHD-CABCVRRESA-N 0 1 289.350 3.743 20 0 CHADMN Cc1c[nH]c(CN[C@@H]2CC(C)(C)CCc3ccccc32)n1 ZINC000657458936 1119110414 /nfs/dbraw/zinc/11/04/14/1119110414.db2.gz RKQJYGAYYZCHCT-MRXNPFEDSA-N 0 1 283.419 3.912 20 0 CHADMN CC[C@H]1C[C@@H](N[C@@H](C)c2ccc(F)cc2Cl)CO1 ZINC000657476663 1119118925 /nfs/dbraw/zinc/11/89/25/1119118925.db2.gz RXKWVWZZLDCQPI-WCQGTBRESA-N 0 1 271.763 3.697 20 0 CHADMN CCC1CC(NCc2coc(-c3cccs3)n2)C1 ZINC000342672436 1119120588 /nfs/dbraw/zinc/12/05/88/1119120588.db2.gz CRSJUZXFZOKIPF-UHFFFAOYSA-N 0 1 262.378 3.681 20 0 CHADMN Cc1cccc([C@H](C)NCc2cc(C(F)(F)F)nn2C)c1 ZINC000657487325 1119126238 /nfs/dbraw/zinc/12/62/38/1119126238.db2.gz TTWRGBYCGDCLJM-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nc(C2CC2)cs1 ZINC000342688551 1119126344 /nfs/dbraw/zinc/12/63/44/1119126344.db2.gz CYAJUZDKVGUJHI-GFCCVEGCSA-N 0 1 250.411 3.785 20 0 CHADMN Cc1nc(CN2CCC[C@H]2c2cc(C)ccc2C)[nH]c1C ZINC000628184928 1128823610 /nfs/dbraw/zinc/82/36/10/1128823610.db2.gz DKHFEDFDVMXDOQ-KRWDZBQOSA-N 0 1 283.419 3.980 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCCc2cccnc21 ZINC000684955630 1119141208 /nfs/dbraw/zinc/14/12/08/1119141208.db2.gz QYIRAGHDPWHQMZ-DLBZAZTESA-N 0 1 282.362 3.875 20 0 CHADMN Cc1occc1CN(C)CCCC(=O)c1ccc(F)cc1 ZINC000050154246 1119146404 /nfs/dbraw/zinc/14/64/04/1119146404.db2.gz ABQANYNWWXREEZ-UHFFFAOYSA-N 0 1 289.350 3.822 20 0 CHADMN CN(C)Cc1ccc(CNc2ncccc2Cl)cc1F ZINC000342771575 1119160137 /nfs/dbraw/zinc/16/01/37/1119160137.db2.gz SCJKQWYSDATBNA-UHFFFAOYSA-N 0 1 293.773 3.548 20 0 CHADMN Cc1cnc(CN2CCCCC[C@H]2c2ccccc2)n1C ZINC000342772508 1119161055 /nfs/dbraw/zinc/16/10/55/1119161055.db2.gz CNBWFNIAYLKDHM-KRWDZBQOSA-N 0 1 283.419 3.846 20 0 CHADMN Cc1cnc(CN2CCC[C@H]2c2cc(C)ccc2C)n1C ZINC000342785709 1119166299 /nfs/dbraw/zinc/16/62/99/1119166299.db2.gz SCGCLUOXSIELID-KRWDZBQOSA-N 0 1 283.419 3.682 20 0 CHADMN CC[C@@H](Nc1ccnc2cc(F)ccc21)C1CCOCC1 ZINC000074774480 1119169692 /nfs/dbraw/zinc/16/96/92/1119169692.db2.gz XTZZMVSXOHTNPX-OAHLLOKOSA-N 0 1 288.366 3.991 20 0 CHADMN Cc1ccc2nc(CNc3nccc(C)c3Cl)[nH]c2c1 ZINC000342791014 1119171347 /nfs/dbraw/zinc/17/13/47/1119171347.db2.gz QZBDZZRPACMJRK-UHFFFAOYSA-N 0 1 286.766 3.840 20 0 CHADMN c1csc(-c2nc(CN[C@@]34C[C@@H]3CCC4)cs2)c1 ZINC000657552155 1119177297 /nfs/dbraw/zinc/17/72/97/1119177297.db2.gz QZQDVVGTIFCOJA-HZMBPMFUSA-N 0 1 276.430 3.904 20 0 CHADMN Cc1cnc(CN2CCC[C@@H](Cc3ccc(C)cc3)C2)o1 ZINC000075676660 1119178883 /nfs/dbraw/zinc/17/88/83/1119178883.db2.gz STZHVYRGCQASJK-KRWDZBQOSA-N 0 1 284.403 3.746 20 0 CHADMN CCCCN(C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000060992241 1119178938 /nfs/dbraw/zinc/17/89/38/1119178938.db2.gz OYZGNZYWSACAQA-UHFFFAOYSA-N 0 1 279.771 3.622 20 0 CHADMN CCc1cnc(CN(C)[C@@H](C)Cc2ccc(Cl)cc2)o1 ZINC000075749958 1119179108 /nfs/dbraw/zinc/17/91/08/1119179108.db2.gz RUURTWZFBZMDPV-LBPRGKRZSA-N 0 1 292.810 3.953 20 0 CHADMN CCc1cnc(C[N@H+](C)[C@@H](CC)Cc2ccc(C)cc2)o1 ZINC000075886040 1119179417 /nfs/dbraw/zinc/17/94/17/1119179417.db2.gz LRNPXEVYUZHSBG-INIZCTEOSA-N 0 1 286.419 3.999 20 0 CHADMN CCc1cnc(CN(C)[C@@H](CC)Cc2ccc(C)cc2)o1 ZINC000075886040 1119179420 /nfs/dbraw/zinc/17/94/20/1119179420.db2.gz LRNPXEVYUZHSBG-INIZCTEOSA-N 0 1 286.419 3.999 20 0 CHADMN C[C@H]1CCCN1Cc1csc(-c2ccccc2)n1 ZINC000076116776 1119183312 /nfs/dbraw/zinc/18/33/12/1119183312.db2.gz BKYSMGIUDIGLHO-LBPRGKRZSA-N 0 1 258.390 3.794 20 0 CHADMN Cc1cc([C@H](C)NCc2cc(C)nc(C)n2)c(C)s1 ZINC000342806914 1119183392 /nfs/dbraw/zinc/18/33/92/1119183392.db2.gz VEOJCIMGPSTEKK-NSHDSACASA-N 0 1 275.421 3.623 20 0 CHADMN Cc1ccc(OC2CCN(Cc3cccnc3)CC2)cc1C ZINC000077169397 1119189217 /nfs/dbraw/zinc/18/92/17/1119189217.db2.gz RLDKUFBJKZKZKE-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN Fc1cccc(CN(CCC(F)(F)F)C2CC2)c1 ZINC000077267848 1119191962 /nfs/dbraw/zinc/19/19/62/1119191962.db2.gz FAHYQJAKAWYDHV-UHFFFAOYSA-N 0 1 261.262 3.743 20 0 CHADMN c1nn(-c2ccccc2)cc1CNC1(c2ccccc2)CC1 ZINC000077377837 1119192473 /nfs/dbraw/zinc/19/24/73/1119192473.db2.gz DNWOFYFCSZLVCP-UHFFFAOYSA-N 0 1 289.382 3.651 20 0 CHADMN OCC[C@@H](NCc1ccccc1Cl)c1ccccc1 ZINC000077468412 1119193333 /nfs/dbraw/zinc/19/33/33/1119193333.db2.gz ZSBJDNYRWZSMOK-MRXNPFEDSA-N 0 1 275.779 3.553 20 0 CHADMN CCCOCc1ccccc1CNCc1oc(C)nc1C ZINC000628204805 1128827994 /nfs/dbraw/zinc/82/79/94/1128827994.db2.gz NWNQYKLQYILSSC-UHFFFAOYSA-N 0 1 288.391 3.508 20 0 CHADMN Clc1sccc1CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000342822244 1119195039 /nfs/dbraw/zinc/19/50/39/1119195039.db2.gz KLQBGZVFKNHUPS-RYUDHWBXSA-N 0 1 271.813 3.545 20 0 CHADMN Clc1sccc1CN1CCC[C@H]1[C@H]1CCCO1 ZINC000342822243 1119195264 /nfs/dbraw/zinc/19/52/64/1119195264.db2.gz KLQBGZVFKNHUPS-NWDGAFQWSA-N 0 1 271.813 3.545 20 0 CHADMN CCCn1nc(C)c(CNCc2ccc3occc3c2)c1C ZINC000657585187 1119198369 /nfs/dbraw/zinc/19/83/69/1119198369.db2.gz OTVLDICFDGGZGC-UHFFFAOYSA-N 0 1 297.402 3.946 20 0 CHADMN c1cc(Oc2ccccc2)oc1CN1CCC[C@@]12CCOC2 ZINC000342841431 1119204555 /nfs/dbraw/zinc/20/45/55/1119204555.db2.gz PSTUZKAYQZPZRW-SFHVURJKSA-N 0 1 299.370 3.827 20 0 CHADMN CCO[C@H]1C[C@H](NCc2csc(Cl)c2Cl)C1 ZINC000657610394 1119207332 /nfs/dbraw/zinc/20/73/32/1119207332.db2.gz SDWUXXMYPMANIK-KYZUINATSA-N 0 1 280.220 3.712 20 0 CHADMN COC[C@@H](NCc1cc(C)ccc1C)c1cccc(OC)c1 ZINC000657611272 1119207682 /nfs/dbraw/zinc/20/76/82/1119207682.db2.gz LZKPFURSJDZRFZ-LJQANCHMSA-N 0 1 299.414 3.789 20 0 CHADMN C=Cn1cc(CN[C@@H](c2ccccc2F)C(C)C)cn1 ZINC000657616412 1119208537 /nfs/dbraw/zinc/20/85/37/1119208537.db2.gz XTXVXVANSCVJBA-MRXNPFEDSA-N 0 1 273.355 3.610 20 0 CHADMN CN(CCc1ccc(Cl)cc1)Cc1cnc(C2CC2)o1 ZINC000628159862 1119218344 /nfs/dbraw/zinc/21/83/44/1119218344.db2.gz ZAQRZGCZVNVGSM-UHFFFAOYSA-N 0 1 290.794 3.880 20 0 CHADMN Clc1ccc(CN2CC[C@@]3(CCOC3)C2)c(Cl)c1 ZINC000153384509 1119221908 /nfs/dbraw/zinc/22/19/08/1119221908.db2.gz ZUKIOQPAUWILSU-CQSZACIVSA-N 0 1 286.202 3.606 20 0 CHADMN CC[C@@H](NCc1oc2ccccc2c1C)c1cnn(C)c1 ZINC000119974581 1119226123 /nfs/dbraw/zinc/22/61/23/1119226123.db2.gz UCKYLKBTUQDXCZ-OAHLLOKOSA-N 0 1 283.375 3.716 20 0 CHADMN c1nc(C2CC2)oc1CNCCc1cc2ccccc2o1 ZINC000628218091 1128830458 /nfs/dbraw/zinc/83/04/58/1128830458.db2.gz TXPQKIKJWHXFQQ-UHFFFAOYSA-N 0 1 282.343 3.631 20 0 CHADMN CCCc1cccc(CNCc2c(C3CC3)cnn2C)c1 ZINC000657663300 1119231879 /nfs/dbraw/zinc/23/18/79/1119231879.db2.gz HXAZYOPYAFFQIA-UHFFFAOYSA-N 0 1 283.419 3.540 20 0 CHADMN CC(C)(C)c1cnc(CNC[C@@]2(C)CC2(F)F)s1 ZINC000657664839 1119233385 /nfs/dbraw/zinc/23/33/85/1119233385.db2.gz KITSOLMDQPXLJD-GFCCVEGCSA-N 0 1 274.380 3.576 20 0 CHADMN C[C@@]1(CNCc2c(F)cccc2Cl)CC1(F)F ZINC000657669723 1119236311 /nfs/dbraw/zinc/23/63/11/1119236311.db2.gz PCRRSXBJTJMTHE-NSHDSACASA-N 0 1 263.690 3.614 20 0 CHADMN c1nc(C2CCCC2)sc1CN1CC(C2CC2)C1 ZINC000643345258 1119247582 /nfs/dbraw/zinc/24/75/82/1119247582.db2.gz LCHZYCDGRGGZFE-UHFFFAOYSA-N 0 1 262.422 3.643 20 0 CHADMN C[C@H](NC[C@@H](c1c(F)cccc1F)N(C)C)c1ccco1 ZINC000120750613 1119247668 /nfs/dbraw/zinc/24/76/68/1119247668.db2.gz KEVHUEWLKKMVLJ-FZMZJTMJSA-N 0 1 294.345 3.511 20 0 CHADMN Cc1ncc(CN2CC=C(c3cc(C)cc(C)c3)CC2)o1 ZINC000628235775 1128832095 /nfs/dbraw/zinc/83/20/95/1128832095.db2.gz BNQLNMPEXKKCNL-UHFFFAOYSA-N 0 1 282.387 3.889 20 0 CHADMN Cc1cc2c(ncnc2Nc2ccc3nc(C)[nH]c3c2)s1 ZINC001213070536 1128836689 /nfs/dbraw/zinc/83/66/89/1128836689.db2.gz UZWFHZVTIDBOBB-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN CCc1ccc([C@H](CO)N[C@H]2CCc3ccc(F)cc32)cc1 ZINC000090844485 1119252037 /nfs/dbraw/zinc/25/20/37/1119252037.db2.gz IFUDNJLMCVQYLH-OALUTQOASA-N 0 1 299.389 3.699 20 0 CHADMN Oc1ccc2c(c1)[C@@H](NCc1ccc(F)c(Cl)c1)CC2 ZINC000657693836 1119252146 /nfs/dbraw/zinc/25/21/46/1119252146.db2.gz PJDCEMWIZCZUNT-INIZCTEOSA-N 0 1 291.753 3.962 20 0 CHADMN Oc1ccc2c(c1)[C@@H](NCc1cnc(C3CC3)s1)CC2 ZINC000657695092 1119252337 /nfs/dbraw/zinc/25/23/37/1119252337.db2.gz ZDOXMWWMIZBMSP-HNNXBMFYSA-N 0 1 286.400 3.503 20 0 CHADMN C[C@@H](N[C@@H]1CCC(C)(C)c2ccccc21)c1ncc[nH]1 ZINC000138964270 1119252447 /nfs/dbraw/zinc/25/24/47/1119252447.db2.gz NEWYQGXJMWQCLP-IUODEOHRSA-N 0 1 269.392 3.873 20 0 CHADMN C[C@@H]1CCC[C@H](CCN2CCO[C@@H](c3ccco3)C2)C1 ZINC001167635921 1119252794 /nfs/dbraw/zinc/25/27/94/1119252794.db2.gz OTCYCQVKUWJGHP-BFYDXBDKSA-N 0 1 277.408 3.869 20 0 CHADMN Cc1nc(CCN[C@H](C)c2csc(C(C)C)n2)cs1 ZINC000121224738 1119258870 /nfs/dbraw/zinc/25/88/70/1119258870.db2.gz ZBRGUDNDISSANA-SNVBAGLBSA-N 0 1 295.477 3.925 20 0 CHADMN CCn1c2ccccc2nc1[C@@H](C)NCc1ccc(O)cc1 ZINC000091316125 1119261214 /nfs/dbraw/zinc/26/12/14/1119261214.db2.gz HODLUJFJYOPPJZ-CYBMUJFWSA-N 0 1 295.386 3.613 20 0 CHADMN c1nc(C2CC2)oc1CN1CCC[C@@H](Nc2ccccc2)C1 ZINC000628185215 1119267712 /nfs/dbraw/zinc/26/77/12/1119267712.db2.gz PWOUGBTWMBTMPD-MRXNPFEDSA-N 0 1 297.402 3.629 20 0 CHADMN C[C@@H](c1ccccc1)N(C)[C@@H](c1nccn1C)C1CC1 ZINC000637870202 1129233764 /nfs/dbraw/zinc/23/37/64/1129233764.db2.gz COTYLSIDWQGTFS-XJKSGUPXSA-N 0 1 269.392 3.564 20 0 CHADMN COc1cccc([C@@H]2C[C@H](C)CN2Cc2cnc(C)o2)c1 ZINC000628237094 1128834208 /nfs/dbraw/zinc/83/42/08/1128834208.db2.gz ASLDDZFNIJMZGT-SJCJKPOMSA-N 0 1 286.375 3.575 20 0 CHADMN C[C@H](N[C@H]1CCCc2cccnc21)c1ccsc1 ZINC000091661576 1119280174 /nfs/dbraw/zinc/28/01/74/1119280174.db2.gz CBWPFOQEWGZJID-FZMZJTMJSA-N 0 1 258.390 3.871 20 0 CHADMN Cc1c[nH]c(CN2CCCC3(CCCCC3)CC2)n1 ZINC000628248041 1128835336 /nfs/dbraw/zinc/83/53/36/1128835336.db2.gz ZCBJBJIVECSWTR-UHFFFAOYSA-N 0 1 261.413 3.655 20 0 CHADMN CCn1ccnc1[C@@H](C)NC/C=C/c1ccc(F)c(F)c1 ZINC000449567917 1119294480 /nfs/dbraw/zinc/29/44/80/1119294480.db2.gz ZJVRLXRYAWGNRR-ZYOFXKKJSA-N 0 1 291.345 3.545 20 0 CHADMN Cc1ncc(CN[C@H]2CSCCc3ccccc32)s1 ZINC000123743083 1119301841 /nfs/dbraw/zinc/30/18/41/1119301841.db2.gz BODNHUXZQNGQQT-HNNXBMFYSA-N 0 1 290.457 3.572 20 0 CHADMN CC[C@H](c1cccc(OC)c1)N(C)Cc1cnc(C)o1 ZINC000628282636 1128842293 /nfs/dbraw/zinc/84/22/93/1128842293.db2.gz MFKAYFSHOXGLBP-MRXNPFEDSA-N 0 1 274.364 3.575 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N(C)C[C@@H]1CCCO1 ZINC000154637846 1119315867 /nfs/dbraw/zinc/31/58/67/1119315867.db2.gz SSMGCIWYFSJAOO-SWLSCSKDSA-N 0 1 269.335 3.527 20 0 CHADMN Cc1nc2ccc(Nc3ccc(Cl)cn3)cc2[nH]1 ZINC001213070573 1128837409 /nfs/dbraw/zinc/83/74/09/1128837409.db2.gz XGDOTUISNDXSBI-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccnc2N(C)C)cc1C ZINC000154753650 1119318739 /nfs/dbraw/zinc/31/87/39/1119318739.db2.gz KWRMJPFUNMJVSZ-OAHLLOKOSA-N 0 1 283.419 3.615 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c(O)cccc1F ZINC000124778180 1119320347 /nfs/dbraw/zinc/32/03/47/1119320347.db2.gz DAGSESIXFNEUGF-TZMCWYRMSA-N 0 1 299.345 3.550 20 0 CHADMN Cc1cc(Nc2ccc3nc(C)[nH]c3c2)n(C(C)C)n1 ZINC001213070598 1128837665 /nfs/dbraw/zinc/83/76/65/1128837665.db2.gz YHHMPZHYHRITDN-UHFFFAOYSA-N 0 1 269.352 3.701 20 0 CHADMN Cc1ncc(CNC2CC(F)(c3cccc(Cl)c3)C2)o1 ZINC000628257496 1128837763 /nfs/dbraw/zinc/83/77/63/1128837763.db2.gz OSXBRJGCFGMRBK-UHFFFAOYSA-N 0 1 294.757 3.753 20 0 CHADMN C[C@H](NC[C@@H]1CC=CCC1)c1noc(-c2ccccc2)n1 ZINC000124868976 1119322038 /nfs/dbraw/zinc/32/20/38/1119322038.db2.gz WPVHUVSGFSQHRV-UONOGXRCSA-N 0 1 283.375 3.744 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@@H]1CCc2ccccc21 ZINC000092327256 1119328197 /nfs/dbraw/zinc/32/81/97/1119328197.db2.gz PAKVAEWIMAPTGW-ZUZCIYMTSA-N 0 1 256.349 3.630 20 0 CHADMN C[C@@H]1CCCN(Cc2nnc(-c3ccccc3)s2)CC1 ZINC000155137124 1119328589 /nfs/dbraw/zinc/32/85/89/1119328589.db2.gz ZTMDSNMYZXDABT-CYBMUJFWSA-N 0 1 287.432 3.827 20 0 CHADMN CC(C)[N@H+](Cc1ccccn1)C[C@H]1CCC2(CCCC2)O1 ZINC000583275307 1119331914 /nfs/dbraw/zinc/33/19/14/1119331914.db2.gz XPWQFZKDXSIYAC-QGZVFWFLSA-N 0 1 288.435 3.784 20 0 CHADMN CCc1ccc(CN[C@H](c2ccccc2)[C@H](O)C(C)C)o1 ZINC000657747749 1119333087 /nfs/dbraw/zinc/33/30/87/1119333087.db2.gz RTUWOJULWUXTNO-QZTJIDSGSA-N 0 1 287.403 3.690 20 0 CHADMN CC(C)Oc1ccc(F)c(-n2c(N)nc3ccccc32)c1 ZINC001212308303 1128839246 /nfs/dbraw/zinc/83/92/46/1128839246.db2.gz SHXMPSVPVIEVQW-UHFFFAOYSA-N 0 1 285.322 3.534 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1coc(-c2cccs2)n1 ZINC000126545804 1119350262 /nfs/dbraw/zinc/35/02/62/1119350262.db2.gz YCMAITZMOSBODO-LLVKDONJSA-N 0 1 296.461 3.977 20 0 CHADMN CC[C@@H](C)CN(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000171950669 1119351004 /nfs/dbraw/zinc/35/10/04/1119351004.db2.gz YPHNUMIRTQWBCY-GFCCVEGCSA-N 0 1 273.380 3.523 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161692815 1119353115 /nfs/dbraw/zinc/35/31/15/1119353115.db2.gz PWBDEQPXADDBCS-ZFWWWQNUSA-N 0 1 293.455 3.762 20 0 CHADMN COC(=O)c1cccc(CN2CCCC[C@@H]2C)c1Cl ZINC000362976228 1119356894 /nfs/dbraw/zinc/35/68/94/1119356894.db2.gz JHZHWYNHUFJJJL-NSHDSACASA-N 0 1 281.783 3.501 20 0 CHADMN Cc1ccccc1[C@@H](N[C@@H](C)c1cnccn1)C(C)C ZINC000163077674 1119363895 /nfs/dbraw/zinc/36/38/95/1119363895.db2.gz IBFYQFJOYKRPDS-YOEHRIQHSA-N 0 1 269.392 3.833 20 0 CHADMN CSc1ccc2c(c1)[C@@H](NCc1cc(C)ncn1)CCC2 ZINC000647295293 1119366289 /nfs/dbraw/zinc/36/62/89/1119366289.db2.gz GODVXCTVZKIAHM-KRWDZBQOSA-N 0 1 299.443 3.674 20 0 CHADMN Cc1ccccc1NC(=O)[C@@H](C)N1CC[C@H](C)C(C)(C)C1 ZINC000583685980 1119394524 /nfs/dbraw/zinc/39/45/24/1119394524.db2.gz HCGHUSQITPDMGJ-LSDHHAIUSA-N 0 1 288.435 3.690 20 0 CHADMN Cc1ccccc1NC(=O)[C@@H](C)N1CC[C@@H](C)C(C)(C)C1 ZINC000583685979 1119394650 /nfs/dbraw/zinc/39/46/50/1119394650.db2.gz HCGHUSQITPDMGJ-HUUCEWRRSA-N 0 1 288.435 3.690 20 0 CHADMN c1nc(C2CC2)oc1CNC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000628283445 1128843382 /nfs/dbraw/zinc/84/33/82/1128843382.db2.gz WIPQMRJURXITQL-NVXWUHKLSA-N 0 1 298.386 3.562 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3[nH]ccc3c2)o1 ZINC000628119860 1119400569 /nfs/dbraw/zinc/40/05/69/1119400569.db2.gz NIBDQELOCIIMQP-UHFFFAOYSA-N 0 1 254.333 3.701 20 0 CHADMN Cc1c[nH]c(CN2CC3(CCCCC3)[C@H]2C(C)C)n1 ZINC000628308672 1128843763 /nfs/dbraw/zinc/84/37/63/1128843763.db2.gz CKDAEXYTIODUOP-OAHLLOKOSA-N 0 1 261.413 3.509 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)NCC3(C)CC3)n2)cc1 ZINC000583788721 1119412311 /nfs/dbraw/zinc/41/23/11/1119412311.db2.gz NMJOAAJVSGJSCG-LBPRGKRZSA-N 0 1 285.391 3.750 20 0 CHADMN C[C@@H](NC/C=C/Cl)c1ccc(Br)cc1F ZINC000308921696 1119419990 /nfs/dbraw/zinc/41/99/90/1119419990.db2.gz CGROUBRRUOCXOR-IBDUZEINSA-N 0 1 292.579 3.991 20 0 CHADMN C[C@@H](NCC[C@@H]1CCc2ccccc2N1)c1nccs1 ZINC000650760874 1119420768 /nfs/dbraw/zinc/42/07/68/1119420768.db2.gz NXSQBQWDPSULCD-OCCSQVGLSA-N 0 1 287.432 3.611 20 0 CHADMN C[C@@H](NCC[C@H]1CCc2ccccc2N1)c1nccs1 ZINC000650760875 1119421204 /nfs/dbraw/zinc/42/12/04/1119421204.db2.gz NXSQBQWDPSULCD-TZMCWYRMSA-N 0 1 287.432 3.611 20 0 CHADMN CCOc1ncccc1CN[C@H](C)c1cc(C)cc(C)c1 ZINC000151173489 1119423996 /nfs/dbraw/zinc/42/39/96/1119423996.db2.gz ANPDZJRZILDADI-OAHLLOKOSA-N 0 1 284.403 3.948 20 0 CHADMN CCOc1ncccc1CN[C@H](C)c1cccc(C)c1C ZINC000151181484 1119426645 /nfs/dbraw/zinc/42/66/45/1119426645.db2.gz BTLRSKNNYZALPZ-OAHLLOKOSA-N 0 1 284.403 3.948 20 0 CHADMN Cc1ccc(-c2cc(-c3nc([C@@H]4C[C@@H]4C)no3)[nH]n2)cc1C ZINC000583898000 1119431282 /nfs/dbraw/zinc/43/12/82/1119431282.db2.gz WTTNFFVXGLWJIV-WCQYABFASA-N 0 1 294.358 3.867 20 0 CHADMN C[C@H]1CCCN(Cc2ncc(-c3ccccc3F)o2)C1 ZINC000158207747 1119437679 /nfs/dbraw/zinc/43/76/79/1119437679.db2.gz FTFJMSXCQYFTGP-LBPRGKRZSA-N 0 1 274.339 3.713 20 0 CHADMN Cc1cccc(NC[C@@H](C)c2nc(-c3ccccc3)no2)n1 ZINC000158260764 1119439999 /nfs/dbraw/zinc/43/99/99/1119439999.db2.gz FUPBXHWEILYTCG-GFCCVEGCSA-N 0 1 294.358 3.656 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](C)c2sc(C)nc2C)s1 ZINC000127114416 1119440885 /nfs/dbraw/zinc/44/08/85/1119440885.db2.gz IZTPGGFAMQXFAG-YUMQZZPRSA-N 0 1 281.450 3.937 20 0 CHADMN COc1ccc(C[N@@H+](C)Cc2cccc3ccccc32)cn1 ZINC000343528071 1119444460 /nfs/dbraw/zinc/44/44/60/1119444460.db2.gz ABZWEMLVINKSAS-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN COc1cccc2[nH]cc(CCNc3cccc(C)n3)c21 ZINC000158395185 1119447730 /nfs/dbraw/zinc/44/77/30/1119447730.db2.gz GKNPSZPZPAKVTA-UHFFFAOYSA-N 0 1 281.359 3.535 20 0 CHADMN CC(C)(NCc1cnc(Cl)s1)c1cccs1 ZINC000309533316 1119454567 /nfs/dbraw/zinc/45/45/67/1119454567.db2.gz CGKDLJWSEIUFIL-UHFFFAOYSA-N 0 1 272.826 3.883 20 0 CHADMN CCc1nc(C)c(CN[C@H](CC)c2ccsc2)o1 ZINC000294175650 1119457671 /nfs/dbraw/zinc/45/76/71/1119457671.db2.gz DAAOIBNTVYZCPC-GFCCVEGCSA-N 0 1 264.394 3.848 20 0 CHADMN CCC[N@H+](Cc1ncccc1[O-])CC1CCCCC1 ZINC000584020572 1119458647 /nfs/dbraw/zinc/45/86/47/1119458647.db2.gz JWVLDYOCLZGNFC-UHFFFAOYSA-N 0 1 262.397 3.580 20 0 CHADMN CCCCN(C)Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000151481922 1119459044 /nfs/dbraw/zinc/45/90/44/1119459044.db2.gz WICIIRGCJKOQSB-UHFFFAOYSA-N 0 1 288.391 3.972 20 0 CHADMN CN(C/C=C\c1ccc(F)cc1F)Cc1ccco1 ZINC000349978845 1119464529 /nfs/dbraw/zinc/46/45/29/1119464529.db2.gz VEKNKBODXNKBGW-RQOWECAXSA-N 0 1 263.287 3.703 20 0 CHADMN C[C@@H](O)[C@@H](NCc1ccccc1Cl)c1ccccc1 ZINC000657821024 1119464546 /nfs/dbraw/zinc/46/45/46/1119464546.db2.gz YELHCPCROIWKRO-MLGOLLRUSA-N 0 1 275.779 3.552 20 0 CHADMN C[C@@H](N[C@H]1CCCOc2ccccc21)c1cncs1 ZINC000133530349 1119472261 /nfs/dbraw/zinc/47/22/61/1119472261.db2.gz JAZRDQQDDOURRV-YPMHNXCESA-N 0 1 274.389 3.708 20 0 CHADMN CCN(C[C@@H]1CCCO1)[C@@H](C)c1ccc(F)cc1F ZINC000343625941 1119474640 /nfs/dbraw/zinc/47/46/40/1119474640.db2.gz OZYOYBULOSMBTN-AAEUAGOBSA-N 0 1 269.335 3.527 20 0 CHADMN c1c2cccnc2oc1CN1CCC[C@@H]1c1ccccn1 ZINC000584093737 1119475338 /nfs/dbraw/zinc/47/53/38/1119475338.db2.gz JLPOTUJBTPSBME-MRXNPFEDSA-N 0 1 279.343 3.560 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](C)c1ccccc1C ZINC000158883635 1119475645 /nfs/dbraw/zinc/47/56/45/1119475645.db2.gz RSMWBMPXNIJUII-GFCCVEGCSA-N 0 1 285.391 3.641 20 0 CHADMN CC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1ccccc1 ZINC000294190570 1119479900 /nfs/dbraw/zinc/47/99/00/1119479900.db2.gz SKWZTWSXOBBDGE-SNPRPXQTSA-N 0 1 255.365 3.630 20 0 CHADMN CC[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1ccccc1 ZINC000294190565 1119480336 /nfs/dbraw/zinc/48/03/36/1119480336.db2.gz SKWZTWSXOBBDGE-QEJZJMRPSA-N 0 1 255.365 3.630 20 0 CHADMN C[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000565107592 1119482761 /nfs/dbraw/zinc/48/27/61/1119482761.db2.gz QLEVKODAFOJWSR-SFHVURJKSA-N 0 1 299.370 3.575 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCCC1CCCC1 ZINC000248515455 1119484439 /nfs/dbraw/zinc/48/44/39/1119484439.db2.gz GBEJZUBMTLDYOG-OAGGEKHMSA-N 0 1 279.424 3.675 20 0 CHADMN CC[C@H]1CN(Cc2cnc(C3CCCC3)s2)CCCO1 ZINC000343681593 1119486201 /nfs/dbraw/zinc/48/62/01/1119486201.db2.gz QPABFIYVROXYKZ-AWEZNQCLSA-N 0 1 294.464 3.802 20 0 CHADMN Cc1ccccc1[C@@H]1C[N@@H+](C[C@@]2(C)CCCS2)CCO1 ZINC000628178455 1119488709 /nfs/dbraw/zinc/48/87/09/1119488709.db2.gz QMODZVREQPMBDW-DLBZAZTESA-N 0 1 291.460 3.654 20 0 CHADMN Cc1ccccc1[C@@H]1CN(C[C@@]2(C)CCCS2)CCO1 ZINC000628178455 1119488711 /nfs/dbraw/zinc/48/87/11/1119488711.db2.gz QMODZVREQPMBDW-DLBZAZTESA-N 0 1 291.460 3.654 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccccc3)[C@@H](C)C2)[nH]c1C ZINC000628183529 1119494618 /nfs/dbraw/zinc/49/46/18/1119494618.db2.gz FOIFIJSPTHUIBX-SUMWQHHRSA-N 0 1 283.419 3.652 20 0 CHADMN FC(F)(F)[C@@H]1CN([C@H]2C=CCCC2)C[C@H]1C(F)(F)F ZINC000076181166 1119497949 /nfs/dbraw/zinc/49/79/49/1119497949.db2.gz YTWDMIOWLSJGJW-IVZWLZJFSA-N 0 1 287.247 3.768 20 0 CHADMN Cc1ncsc1CNCc1cnc(C2CCCC2)s1 ZINC000136066714 1119514917 /nfs/dbraw/zinc/51/49/17/1119514917.db2.gz PEDFDFIXJAIQCV-UHFFFAOYSA-N 0 1 293.461 3.855 20 0 CHADMN CCc1ccc(CNCc2cnc3ccccc3c2)o1 ZINC000343771967 1119518249 /nfs/dbraw/zinc/51/82/49/1119518249.db2.gz VPKASYPDAKKXTB-UHFFFAOYSA-N 0 1 266.344 3.680 20 0 CHADMN CC(C)(C)OCCN1CC[C@H]1c1ccc(Cl)cc1 ZINC000081604776 1119519210 /nfs/dbraw/zinc/51/92/10/1119519210.db2.gz FIHLMVVERBQHTN-AWEZNQCLSA-N 0 1 267.800 3.902 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)[C@H]2CCC[C@@H]21 ZINC000378718154 1119523131 /nfs/dbraw/zinc/52/31/31/1119523131.db2.gz DDNNQVFJIWAQBR-ZFWWWQNUSA-N 0 1 291.366 3.534 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cccc4cc[nH]c43)cc2[nH]1 ZINC000170015647 1119531760 /nfs/dbraw/zinc/53/17/60/1119531760.db2.gz DETIGSKPBWWIFR-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN COc1cccc([C@@H](C)N[C@@H]2COc3ccc(C)cc32)c1 ZINC000090452423 1119544596 /nfs/dbraw/zinc/54/45/96/1119544596.db2.gz CLYSQTZKZHIUCY-CXAGYDPISA-N 0 1 283.371 3.788 20 0 CHADMN CCOC1CC(N(C)Cc2cnc(C3CCCC3)s2)C1 ZINC000584437673 1119547442 /nfs/dbraw/zinc/54/74/42/1119547442.db2.gz RZHDPIDMNIKITE-UHFFFAOYSA-N 0 1 294.464 3.800 20 0 CHADMN Cc1c(C)c(C)c(CN[C@@H](C)c2cnccn2)c(C)c1C ZINC000090581108 1119548380 /nfs/dbraw/zinc/54/83/80/1119548380.db2.gz GBBDQVBZHBFQTC-INIZCTEOSA-N 0 1 283.419 3.870 20 0 CHADMN COc1ccc([C@@H](NCc2ncccc2F)C(C)C)cc1 ZINC000091402756 1119556454 /nfs/dbraw/zinc/55/64/54/1119556454.db2.gz VSWUQCJMKOWIBA-KRWDZBQOSA-N 0 1 288.366 3.716 20 0 CHADMN CS[C@H]1CCCCN(Cc2ccc(Cl)o2)C1 ZINC000092063956 1119560955 /nfs/dbraw/zinc/56/09/55/1119560955.db2.gz FHLBUKNOYATXRM-NSHDSACASA-N 0 1 259.802 3.651 20 0 CHADMN CSc1ccc(C)c(NC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC000935246571 1119562966 /nfs/dbraw/zinc/56/29/66/1119562966.db2.gz GGGRZNSSLFPCMA-HNNXBMFYSA-N 0 1 292.448 3.528 20 0 CHADMN C[C@@H]1CC[C@H](N(C)Cc2nccn2Cc2ccccc2)C1 ZINC000093337063 1119569348 /nfs/dbraw/zinc/56/93/48/1119569348.db2.gz WVBSSCYMGHLZLZ-WBVHZDCISA-N 0 1 283.419 3.552 20 0 CHADMN CSC[C@H]1CCCN1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000093761164 1119571553 /nfs/dbraw/zinc/57/15/53/1119571553.db2.gz KKHGSSICRFLINE-NWDGAFQWSA-N 0 1 296.505 3.595 20 0 CHADMN COc1cc2c(cc1F)nccc2NCCSC(C)C ZINC000343798308 1119572412 /nfs/dbraw/zinc/57/24/12/1119572412.db2.gz YMAZSMGKNKIURE-UHFFFAOYSA-N 0 1 294.395 3.936 20 0 CHADMN CCn1nc(C)c(CN2C[C@@H](C)[C@@H]2c2ccccc2)c1C ZINC000093867473 1119572770 /nfs/dbraw/zinc/57/27/70/1119572770.db2.gz LBJIVWYMGNHWNK-FZKQIMNGSA-N 0 1 283.419 3.713 20 0 CHADMN Cc1ccoc1CN1CCCC[C@H]1c1cccn1C ZINC000093845483 1119573110 /nfs/dbraw/zinc/57/31/10/1119573110.db2.gz LUAVORICPLOQLS-HNNXBMFYSA-N 0 1 258.365 3.654 20 0 CHADMN CC(C)CCNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000116361363 1119574360 /nfs/dbraw/zinc/57/43/60/1119574360.db2.gz GOLYRLCIPDPOKM-UHFFFAOYSA-N 0 1 283.375 3.601 20 0 CHADMN CCC(C)(CC)c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000685315517 1119578053 /nfs/dbraw/zinc/57/80/53/1119578053.db2.gz RASYQTKHVMTUBO-UHFFFAOYSA-N 0 1 284.363 3.999 20 0 CHADMN COc1cc2c(cc1OC)CN([C@H](C)c1ccccc1)CC2 ZINC000138818222 1119579090 /nfs/dbraw/zinc/57/90/90/1119579090.db2.gz ATZLHOYNOLLLDD-CQSZACIVSA-N 0 1 297.398 3.823 20 0 CHADMN CCCCN(Cc1c(C)cnn1C)[C@H](C)c1ccc(C)o1 ZINC000685410585 1119603215 /nfs/dbraw/zinc/60/32/15/1119603215.db2.gz FWQHYAYSKOGYDW-OAHLLOKOSA-N 0 1 289.423 3.993 20 0 CHADMN CN(Cc1ncc[nH]1)CC1CCC(c2ccccc2)CC1 ZINC000685412278 1119603830 /nfs/dbraw/zinc/60/38/30/1119603830.db2.gz YQABCSQQKHEQPN-UHFFFAOYSA-N 0 1 283.419 3.816 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccnn1CC1CCC1 ZINC000926588536 1119605375 /nfs/dbraw/zinc/60/53/75/1119605375.db2.gz ZHIJTPYEOZVCSO-NWANDNLSSA-N 0 1 279.403 3.615 20 0 CHADMN COc1ccccc1[C@H](C)NCc1ccnc(Cl)c1 ZINC000271715387 1119605718 /nfs/dbraw/zinc/60/57/18/1119605718.db2.gz QCYRPEZSZAMEOQ-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1Cc1ncccc1[O-] ZINC000685431148 1119606137 /nfs/dbraw/zinc/60/61/37/1119606137.db2.gz GIWRYYCLGOJRBM-HOCLYGCPSA-N 0 1 282.387 3.555 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1ncccc1[O-] ZINC000685431148 1119606139 /nfs/dbraw/zinc/60/61/39/1119606139.db2.gz GIWRYYCLGOJRBM-HOCLYGCPSA-N 0 1 282.387 3.555 20 0 CHADMN Cn1c(CNCc2ccc3occc3c2)nc2ccccc21 ZINC000685427263 1119606270 /nfs/dbraw/zinc/60/62/70/1119606270.db2.gz RFBQMHVLBDYUDO-UHFFFAOYSA-N 0 1 291.354 3.609 20 0 CHADMN CC(C)(C)c1ncc(CN2CC(C3CCC3)C2)s1 ZINC000685438858 1119608576 /nfs/dbraw/zinc/60/85/76/1119608576.db2.gz JSBONGCZUFRXIA-UHFFFAOYSA-N 0 1 264.438 3.673 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](c1nccn1C)C1CC1)[C@H](C)C2 ZINC000685439552 1119608924 /nfs/dbraw/zinc/60/89/24/1119608924.db2.gz SOUVXXREOICSKU-FSPWUOQZSA-N 0 1 295.430 3.703 20 0 CHADMN COc1ccccc1/C=C\CN1CCC[C@H]1c1ccncc1 ZINC000685452335 1119609119 /nfs/dbraw/zinc/60/91/19/1119609119.db2.gz HTNNZYVZPNWGFL-GINYUPMKSA-N 0 1 294.398 3.941 20 0 CHADMN COCCN(Cc1ccccn1)Cc1ccccc1C1CC1 ZINC000685454621 1119610872 /nfs/dbraw/zinc/61/08/72/1119610872.db2.gz VRNQBBKHRDSRPX-UHFFFAOYSA-N 0 1 296.414 3.608 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2c3cccc(F)c3CC[C@@H]2C)o1 ZINC000628226370 1119622073 /nfs/dbraw/zinc/62/20/73/1119622073.db2.gz LBMCMEJGHSSMCD-BTDLBPIBSA-N 0 1 288.366 3.844 20 0 CHADMN CC[C@@H](NCc1ccc(C)cn1)c1ccc(F)cc1 ZINC000400878365 1119622797 /nfs/dbraw/zinc/62/27/97/1119622797.db2.gz ONIUDTGPGCYGSP-MRXNPFEDSA-N 0 1 258.340 3.770 20 0 CHADMN Cc1ccc2nc(CNC(C)(C)c3ccc(F)cc3)cn2c1 ZINC000176915308 1119622942 /nfs/dbraw/zinc/62/29/42/1119622942.db2.gz XCVQPABNQOIDDC-UHFFFAOYSA-N 0 1 297.377 3.807 20 0 CHADMN COc1ccc([C@H](NCc2cccc(C)n2)C2CC2)cc1 ZINC000051575360 1119623312 /nfs/dbraw/zinc/62/33/12/1119623312.db2.gz DPADYYKZHSZIRS-GOSISDBHSA-N 0 1 282.387 3.640 20 0 CHADMN CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCSC[C@@H]2C)c1C ZINC000172590583 1119626336 /nfs/dbraw/zinc/62/63/36/1119626336.db2.gz TXAMKIRTHACGSU-ZDUSSCGKSA-N 0 1 291.460 3.752 20 0 CHADMN CC(=O)c1c(C)cc(C)c(CN2CCSC[C@@H]2C)c1C ZINC000172590583 1119626339 /nfs/dbraw/zinc/62/63/39/1119626339.db2.gz TXAMKIRTHACGSU-ZDUSSCGKSA-N 0 1 291.460 3.752 20 0 CHADMN CC(C)Cc1ccc(CNCc2ccsc2)cn1 ZINC000892402266 1119626694 /nfs/dbraw/zinc/62/66/94/1119626694.db2.gz OOYZJNSOSIKLIB-UHFFFAOYSA-N 0 1 260.406 3.631 20 0 CHADMN CC(C)[C@H](N[C@@H]1CCn2ccnc21)c1ccc(Cl)cc1 ZINC000294282168 1119628041 /nfs/dbraw/zinc/62/80/41/1119628041.db2.gz YQFHDPDTZRVFHR-CABCVRRESA-N 0 1 289.810 3.968 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCc3cccnc3C)n2)cc1 ZINC000685565936 1119631433 /nfs/dbraw/zinc/63/14/33/1119631433.db2.gz SFBVJWZVXGRMQT-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2cc(C(C)(C)C)on2)C1 ZINC000685565607 1119631502 /nfs/dbraw/zinc/63/15/02/1119631502.db2.gz KDOPVMAHWIMNHM-RYUDHWBXSA-N 0 1 250.386 3.593 20 0 CHADMN CCOc1ccc2nc(SCc3cccnc3C)[nH]c2c1 ZINC000685564628 1119631562 /nfs/dbraw/zinc/63/15/62/1119631562.db2.gz NPQWCIGWWDDGRD-UHFFFAOYSA-N 0 1 299.399 3.957 20 0 CHADMN Cc1nc(C)c(CN[C@@H](CC2CC2)c2ccccc2)o1 ZINC000685571335 1119632626 /nfs/dbraw/zinc/63/26/26/1119632626.db2.gz KCXMENJLLSJDJX-INIZCTEOSA-N 0 1 270.376 3.922 20 0 CHADMN COc1ccc([C@H](NCc2oc(C)nc2C)C(C)C)cc1 ZINC000685570805 1119633778 /nfs/dbraw/zinc/63/37/78/1119633778.db2.gz FWPRRCGOWKCPRM-QGZVFWFLSA-N 0 1 288.391 3.787 20 0 CHADMN O=C(CC/C=C/c1ccccc1)Nc1ccc2nc[nH]c2c1 ZINC000511311228 1119634640 /nfs/dbraw/zinc/63/46/40/1119634640.db2.gz ZRZQUPCYKDUQLV-XBXARRHUSA-N 0 1 291.354 3.995 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 ZINC000166862338 1119635365 /nfs/dbraw/zinc/63/53/65/1119635365.db2.gz WUCBQFXSLNFGPN-ZIAGYGMSSA-N 0 1 261.409 3.593 20 0 CHADMN Cc1ccc(CCCC(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000511312248 1119636516 /nfs/dbraw/zinc/63/65/16/1119636516.db2.gz BAMJDEYKPQXZLZ-UHFFFAOYSA-N 0 1 293.370 3.833 20 0 CHADMN Cc1c[nH]nc1CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000685612090 1119637518 /nfs/dbraw/zinc/63/75/18/1119637518.db2.gz FLQLXVQZOUERNC-HNNXBMFYSA-N 0 1 275.783 3.612 20 0 CHADMN Cc1occc1CN[C@@H](C)c1nccc2ccccc21 ZINC000685645719 1119643716 /nfs/dbraw/zinc/64/37/16/1119643716.db2.gz IFAKJDMVWQYDNO-LBPRGKRZSA-N 0 1 266.344 3.987 20 0 CHADMN COc1cc(CN[C@@H](C)c2cc(C)sc2C)sn1 ZINC000399152683 1119644558 /nfs/dbraw/zinc/64/45/58/1119644558.db2.gz JVGZYNHXCYOFLS-VIFPVBQESA-N 0 1 282.434 3.681 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1NCc1ncccc1N(C)C ZINC000685660526 1119647833 /nfs/dbraw/zinc/64/78/33/1119647833.db2.gz CNMCLMVOLIRJAU-AUUYWEPGSA-N 0 1 295.430 3.561 20 0 CHADMN C[C@H]1CCc2ccccc2[C@H]1NCc1ncccc1N(C)C ZINC000685660529 1119647836 /nfs/dbraw/zinc/64/78/36/1119647836.db2.gz CNMCLMVOLIRJAU-LIRRHRJNSA-N 0 1 295.430 3.561 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)Cc2ccc(F)cc2C)no1 ZINC000658091443 1119681096 /nfs/dbraw/zinc/68/10/96/1119681096.db2.gz SHWDKKTZUNCOHS-AAEUAGOBSA-N 0 1 276.355 3.712 20 0 CHADMN C[C@@H](N[C@]1(C)CC1(C)C)c1ncc(Br)s1 ZINC000658309700 1119721599 /nfs/dbraw/zinc/72/15/99/1119721599.db2.gz YAMJDIBYARMMTD-RDDDGLTNSA-N 0 1 289.242 3.745 20 0 CHADMN COC[C@@H](N[C@@H](C)c1ccccc1)c1cccc(OC)c1 ZINC000658167984 1119695524 /nfs/dbraw/zinc/69/55/24/1119695524.db2.gz ZTSKLPHQBLJEKV-KBXCAEBGSA-N 0 1 285.387 3.734 20 0 CHADMN CCn1cc(CN[C@H](c2ccc(C)cc2)C2CCCC2)nn1 ZINC000658177832 1119697698 /nfs/dbraw/zinc/69/76/98/1119697698.db2.gz WDZXPTBCSGMLPH-SFHVURJKSA-N 0 1 298.434 3.628 20 0 CHADMN Cn1ncc(C2CC2)c1CN[C@@H]1CC(C)(C)Cc2occc21 ZINC000658211286 1119700136 /nfs/dbraw/zinc/70/01/36/1119700136.db2.gz BRINQKPPIBGKIZ-OAHLLOKOSA-N 0 1 299.418 3.694 20 0 CHADMN CC(C)c1nc([C@@H](C)NCCc2ccoc2)cs1 ZINC000658202461 1119701569 /nfs/dbraw/zinc/70/15/69/1119701569.db2.gz UNRHFUROUQLVEM-LLVKDONJSA-N 0 1 264.394 3.753 20 0 CHADMN C[C@@H](NCc1ccc(Cl)c(Cl)c1)c1ccnn1C ZINC000658207914 1119702032 /nfs/dbraw/zinc/70/20/32/1119702032.db2.gz DEKQVBFFPXDEAS-SECBINFHSA-N 0 1 284.190 3.578 20 0 CHADMN C[C@H](NCc1ccc(Cl)c(Cl)c1)c1ccnn1C ZINC000658207917 1119702041 /nfs/dbraw/zinc/70/20/41/1119702041.db2.gz DEKQVBFFPXDEAS-VIFPVBQESA-N 0 1 284.190 3.578 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H]1C[C@H](C)n3ccnc31)[C@H](C)C2 ZINC000658244933 1119710675 /nfs/dbraw/zinc/71/06/75/1119710675.db2.gz NYDHZUCUBOSVBX-OQUILHJVSA-N 0 1 281.403 3.720 20 0 CHADMN C[C@@H](NCc1cnn(C)c1C1CC1)c1ccc(Cl)cc1 ZINC000892431829 1119721330 /nfs/dbraw/zinc/72/13/30/1119721330.db2.gz XMAUUDSCMFXSJA-LLVKDONJSA-N 0 1 289.810 3.802 20 0 CHADMN CC(C)(C)C(F)(F)CN[C@H]1CCCC12CCOCC2 ZINC000658338795 1119727455 /nfs/dbraw/zinc/72/74/55/1119727455.db2.gz LRLOQSOHOVARIL-LBPRGKRZSA-N 0 1 275.383 3.607 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H]1CCCc2c(C)cccc21 ZINC000658337863 1119727759 /nfs/dbraw/zinc/72/77/59/1119727759.db2.gz AMDJWFDKVAMIFT-WMLDXEAASA-N 0 1 283.419 3.940 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2N[C@H](C)c1cc2n(n1)CCC2 ZINC000658339530 1119728381 /nfs/dbraw/zinc/72/83/81/1119728381.db2.gz KTSBLCAZPRSXNY-KDOFPFPSSA-N 0 1 295.430 3.866 20 0 CHADMN CC(C)c1ccc(-c2noc(CN3C4CCC3CC4)n2)cc1 ZINC000648212124 1119729101 /nfs/dbraw/zinc/72/91/01/1119729101.db2.gz BUDXYGBYQZFISH-UHFFFAOYSA-N 0 1 297.402 3.987 20 0 CHADMN C[C@@H](O)[C@H](N[C@@H](C)c1ccc(F)cc1F)c1ccccc1 ZINC000658361675 1119731637 /nfs/dbraw/zinc/73/16/37/1119731637.db2.gz NEVBYXCBZXKBFA-JKDFXYPNSA-N 0 1 291.341 3.738 20 0 CHADMN C/C=C(\C)C(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000179374643 1119733241 /nfs/dbraw/zinc/73/32/41/1119733241.db2.gz UPGGBNPEDIVHEN-VGANXODHSA-N 0 1 278.739 3.787 20 0 CHADMN Cc1cccc([C@H](N[C@H]2CC23CC3)c2ccccn2)c1 ZINC000926616859 1119734097 /nfs/dbraw/zinc/73/40/97/1119734097.db2.gz VFOICFUCDLGXPJ-IRXDYDNUSA-N 0 1 264.372 3.622 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+](C)CCC(C)(C)C ZINC000399775012 1119748563 /nfs/dbraw/zinc/74/85/63/1119748563.db2.gz HVKFDSUWFONZOU-UHFFFAOYSA-N 0 1 269.410 3.623 20 0 CHADMN Cc1nc(C)c(CN[C@H]2c3ccccc3CC[C@H]2C)o1 ZINC000628231370 1119755617 /nfs/dbraw/zinc/75/56/17/1119755617.db2.gz MHCCKSTYGDEGIV-PIGZYNQJSA-N 0 1 270.376 3.705 20 0 CHADMN Cc1nc(C)c(CN[C@H]2c3ccccc3CC[C@@H]2C)o1 ZINC000628231367 1119755642 /nfs/dbraw/zinc/75/56/42/1119755642.db2.gz MHCCKSTYGDEGIV-APPDUMDISA-N 0 1 270.376 3.705 20 0 CHADMN Cc1cc(CNCc2ccc(C(F)(F)F)cc2)sn1 ZINC000404504566 1119756563 /nfs/dbraw/zinc/75/65/63/1119756563.db2.gz KISIJHKNRUSQMJ-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2n[nH]cc21)c1cc(F)ccc1F ZINC000375840338 1119767061 /nfs/dbraw/zinc/76/70/61/1119767061.db2.gz PASSLBQEFMYAQD-HUUCEWRRSA-N 0 1 291.345 3.806 20 0 CHADMN CC[N@@H+](CCc1ccccc1)Cc1cnc(Cl)s1 ZINC000177160311 1119770211 /nfs/dbraw/zinc/77/02/11/1119770211.db2.gz SFEPRBULYYHBNV-UHFFFAOYSA-N 0 1 280.824 3.861 20 0 CHADMN CCN(CCc1ccccc1)Cc1cnc(Cl)s1 ZINC000177160311 1119770215 /nfs/dbraw/zinc/77/02/15/1119770215.db2.gz SFEPRBULYYHBNV-UHFFFAOYSA-N 0 1 280.824 3.861 20 0 CHADMN CCC1(CN2CCc3sc(Cl)cc3C2)CCOCC1 ZINC000584470950 1119771843 /nfs/dbraw/zinc/77/18/43/1119771843.db2.gz QLVPRSAAJHSKDW-UHFFFAOYSA-N 0 1 299.867 3.966 20 0 CHADMN CCCCCC(C)(C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000375864195 1119773225 /nfs/dbraw/zinc/77/32/25/1119773225.db2.gz ZRJHHSCJZZGRMK-UHFFFAOYSA-N 0 1 291.439 3.722 20 0 CHADMN Oc1ccc(CN(Cc2cnc(C3CC3)o2)CC2CC2)cc1 ZINC000628278274 1119787732 /nfs/dbraw/zinc/78/77/32/1119787732.db2.gz JEVJHGHOXHXDRQ-UHFFFAOYSA-N 0 1 298.386 3.670 20 0 CHADMN Cc1cc(CNCc2ccc(Cl)s2)cnc1F ZINC000892500472 1119794305 /nfs/dbraw/zinc/79/43/05/1119794305.db2.gz WDGSHYSOOHIZRV-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN C/C=C/C[C@H]1CCCN(Cc2nccn2C(C)C)C1 ZINC000626162225 1119794489 /nfs/dbraw/zinc/79/44/89/1119794489.db2.gz QREYYXUSUVGNIF-RGDDUWESSA-N 0 1 261.413 3.642 20 0 CHADMN Cc1[nH]ncc1C1CCN(C(=O)CCCC(C)(C)C)CC1 ZINC000375971897 1119797181 /nfs/dbraw/zinc/79/71/81/1119797181.db2.gz CPHQSOGDHNUONM-UHFFFAOYSA-N 0 1 291.439 3.641 20 0 CHADMN C[C@@H](N[C@H]1C=CCC1)c1cc(-c2ccccc2)no1 ZINC000926689555 1119812906 /nfs/dbraw/zinc/81/29/06/1119812906.db2.gz KBLJVXILPGGSTH-OCCSQVGLSA-N 0 1 254.333 3.711 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc(C)sc2C)o1 ZINC000892509828 1119815899 /nfs/dbraw/zinc/81/58/99/1119815899.db2.gz MYGXEBNEMYINSW-JTQLQIEISA-N 0 1 265.378 3.817 20 0 CHADMN C[C@H]1CCC[C@H](NCc2csc(C(F)(F)F)n2)C1 ZINC000892510709 1119817225 /nfs/dbraw/zinc/81/72/25/1119817225.db2.gz RUYXWHMQWJUBKF-IUCAKERBSA-N 0 1 278.343 3.830 20 0 CHADMN CCc1ccc(C[N@@H+](C)CCc2ccccc2C(=O)[O-])cc1 ZINC000317560111 1119817912 /nfs/dbraw/zinc/81/79/12/1119817912.db2.gz ZOXYHVUEBZVUAZ-UHFFFAOYSA-N 0 1 297.398 3.622 20 0 CHADMN C[N@H+](Cc1c([O-])ccc2ccncc21)C(C1CC1)C1CC1 ZINC000066078834 1119823763 /nfs/dbraw/zinc/82/37/63/1119823763.db2.gz GDLRWTNFQVRZRK-UHFFFAOYSA-N 0 1 282.387 3.561 20 0 CHADMN C[N@@H+](Cc1c([O-])ccc2ccncc21)C(C1CC1)C1CC1 ZINC000066078834 1119823768 /nfs/dbraw/zinc/82/37/68/1119823768.db2.gz GDLRWTNFQVRZRK-UHFFFAOYSA-N 0 1 282.387 3.561 20 0 CHADMN Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])cc1C ZINC000235837749 1119826949 /nfs/dbraw/zinc/82/69/49/1119826949.db2.gz ULMRLPIAXKDLQD-QGZVFWFLSA-N 0 1 289.419 3.831 20 0 CHADMN C[C@@]1(CN[C@H]2COCc3cccc(Cl)c32)CC1(F)F ZINC000926706133 1119831970 /nfs/dbraw/zinc/83/19/70/1119831970.db2.gz RYXNRNZJDJLVLM-AAEUAGOBSA-N 0 1 287.737 3.546 20 0 CHADMN COc1ccc2ccccc2c1CNCc1ccc(C)cn1 ZINC000133733452 1119844684 /nfs/dbraw/zinc/84/46/84/1119844684.db2.gz JKUHJGMKUGTVQP-UHFFFAOYSA-N 0 1 292.382 3.842 20 0 CHADMN Clc1cccc(-c2noc([C@H]3CCCCCN3)n2)c1 ZINC000080988942 1119846729 /nfs/dbraw/zinc/84/67/29/1119846729.db2.gz LJWHSPVOHXCJDJ-GFCCVEGCSA-N 0 1 277.755 3.595 20 0 CHADMN CCCC[N@H+](Cc1n[nH]cc1C)[C@H](C)c1ccc(C)o1 ZINC000685834144 1119852963 /nfs/dbraw/zinc/85/29/63/1119852963.db2.gz WIRFXYUGPVURER-CQSZACIVSA-N 0 1 275.396 3.983 20 0 CHADMN Cc1nc([C@H]2CCCCN2C[C@@H]2CC(C)=C[C@H](C)C2)no1 ZINC000685834870 1119854235 /nfs/dbraw/zinc/85/42/35/1119854235.db2.gz SQJBDAFCUGJJNU-VBNZEHGJSA-N 0 1 289.423 3.897 20 0 CHADMN C[C@H](N[C@H]1CCOc2ccccc21)c1cnn(C2CCC2)c1 ZINC000924564576 1119860151 /nfs/dbraw/zinc/86/01/51/1119860151.db2.gz ROVVXXYAMAYJFF-GUYCJALGSA-N 0 1 297.402 3.783 20 0 CHADMN CC[C@H](C)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c1 ZINC000636253450 1119863219 /nfs/dbraw/zinc/86/32/19/1119863219.db2.gz RCBKFRVCYFMIQO-NILFDRSVSA-N 0 1 283.375 3.665 20 0 CHADMN COc1ccc(CN2CC[C@H]2c2ccccc2)cc1OC ZINC000431736846 1119863850 /nfs/dbraw/zinc/86/38/50/1119863850.db2.gz CSGFNGILEFXIAW-INIZCTEOSA-N 0 1 283.371 3.651 20 0 CHADMN Cc1cccc2nc(CNC(=O)[C@]3(C)CC=C(C)CC3)[nH]c21 ZINC000613145369 1119873445 /nfs/dbraw/zinc/87/34/45/1119873445.db2.gz YEIMEZDGGJGSMB-GOSISDBHSA-N 0 1 297.402 3.624 20 0 CHADMN Cc1ccc([C@@H](NCc2nccn2C2CC2)C2CC2)cc1 ZINC000892527165 1119875400 /nfs/dbraw/zinc/87/54/00/1119875400.db2.gz KWNFXCKJSDGTRD-GOSISDBHSA-N 0 1 281.403 3.767 20 0 CHADMN CC(C)C[C@H](N[C@H](C)c1ccn(C)n1)c1ccccc1 ZINC000414065378 1119876731 /nfs/dbraw/zinc/87/67/31/1119876731.db2.gz OJYNGHFJTAWPCZ-PBHICJAKSA-N 0 1 271.408 3.858 20 0 CHADMN CC[C@H](N[C@@H](C)c1cc2n(n1)CCC2)c1cccs1 ZINC000414070428 1119879545 /nfs/dbraw/zinc/87/95/45/1119879545.db2.gz LFHOCHHJVYXJNR-AAEUAGOBSA-N 0 1 275.421 3.693 20 0 CHADMN CS[C@H]1CC[C@@H]1NCc1c(Cl)cccc1Cl ZINC000381576046 1119882187 /nfs/dbraw/zinc/88/21/87/1119882187.db2.gz ZZUABCPFXFOHNM-RYUDHWBXSA-N 0 1 276.232 3.977 20 0 CHADMN CC(C)C[C@H](N[C@H](C)c1ccn(C)n1)c1cccs1 ZINC000414081570 1119887493 /nfs/dbraw/zinc/88/74/93/1119887493.db2.gz UJWLNNORMRBJMU-OCCSQVGLSA-N 0 1 277.437 3.920 20 0 CHADMN CCCc1ccc(CNCc2cccc(C)n2)cc1 ZINC000613273866 1119895480 /nfs/dbraw/zinc/89/54/80/1119895480.db2.gz MBKJBGVJRUIDAD-UHFFFAOYSA-N 0 1 254.377 3.632 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H](C)c2ccccc21)c1ccn(C)n1 ZINC000414110532 1119902881 /nfs/dbraw/zinc/90/28/81/1119902881.db2.gz WGLKSQCGRBZXSH-IGCXYCKISA-N 0 1 269.392 3.709 20 0 CHADMN C[C@H](O)C[C@H](C)N[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414114883 1119903531 /nfs/dbraw/zinc/90/35/31/1119903531.db2.gz UJCSHKBJMXELGT-AVGNSLFASA-N 0 1 290.432 3.620 20 0 CHADMN CC(C)Oc1cccc(C[N@@H+](C)CCCCCC(=O)[O-])c1 ZINC000564218440 1119906352 /nfs/dbraw/zinc/90/63/52/1119906352.db2.gz FFGFHOBEDDYNFG-UHFFFAOYSA-N 0 1 293.407 3.551 20 0 CHADMN Cc1cccc(C)c1[C@H](C)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414125669 1119909142 /nfs/dbraw/zinc/90/91/42/1119909142.db2.gz CYGJOVFSVMOCGK-GJZGRUSLSA-N 0 1 283.419 3.858 20 0 CHADMN C[C@H](NCCC(C)(C)O)c1csc(-c2ccccc2)n1 ZINC000414129783 1119909915 /nfs/dbraw/zinc/90/99/15/1119909915.db2.gz ISQIWDSYZGHDIM-LBPRGKRZSA-N 0 1 290.432 3.622 20 0 CHADMN CCC(=O)c1ccc(NC(=O)c2cn[nH]c2C(C)(C)C)cc1 ZINC000628692060 1128877000 /nfs/dbraw/zinc/87/70/00/1128877000.db2.gz OFQSOOQJVSKMFE-UHFFFAOYSA-N 0 1 299.374 3.552 20 0 CHADMN Cc1nc(CCN(C)Cc2ccccc2Cl)cs1 ZINC000163367359 1119918623 /nfs/dbraw/zinc/91/86/23/1119918623.db2.gz NATMCFDMUSNGQV-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN C[C@@H]1CCN(Cc2cn3ccccc3n2)[C@H]2CCCC[C@@H]12 ZINC000613416851 1119920598 /nfs/dbraw/zinc/92/05/98/1119920598.db2.gz ZSGBPOWVQTXALY-PVAVHDDUSA-N 0 1 283.419 3.735 20 0 CHADMN Cc1ccc(CN(CCOc2cccc(C)c2)C2CC2)o1 ZINC000613443728 1119927808 /nfs/dbraw/zinc/92/78/08/1119927808.db2.gz XAAPVXZDVDGMCO-UHFFFAOYSA-N 0 1 285.387 3.940 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccn(C)n1)c1cccc(C)c1 ZINC000414183875 1119929478 /nfs/dbraw/zinc/92/94/78/1119929478.db2.gz NZDGRVHJZYKSRE-UKRRQHHQSA-N 0 1 257.381 3.530 20 0 CHADMN CCn1ccc(CN[C@H](c2cccs2)C2CCCC2)n1 ZINC000414204154 1119937954 /nfs/dbraw/zinc/93/79/54/1119937954.db2.gz FQLJWEJZXLNZRK-INIZCTEOSA-N 0 1 289.448 3.986 20 0 CHADMN CCn1ccc(CN[C@H](CC(C)C)c2cccs2)n1 ZINC000414207906 1119939993 /nfs/dbraw/zinc/93/99/93/1119939993.db2.gz KUHPOVCHGHGLAO-CQSZACIVSA-N 0 1 277.437 3.842 20 0 CHADMN CCn1ccc(CN[C@@H]2CC[C@@H](C)c3ccsc32)n1 ZINC000414209897 1119940312 /nfs/dbraw/zinc/94/03/12/1119940312.db2.gz LRSLTMLOAPSJHS-BXUZGUMPSA-N 0 1 275.421 3.693 20 0 CHADMN C[C@@H](c1ccccc1Cl)N1CCCO[C@H](C)C1 ZINC000170764278 1119951936 /nfs/dbraw/zinc/95/19/36/1119951936.db2.gz QZYNTPUHHIHTDV-NEPJUHHUSA-N 0 1 253.773 3.512 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccccc2)C(C)(C)C)nn1 ZINC000414269111 1119961138 /nfs/dbraw/zinc/96/11/38/1119961138.db2.gz KHRSHYOJFUPZEV-INIZCTEOSA-N 0 1 269.392 3.662 20 0 CHADMN c1cc2c(s1)CCC[N@H+](Cc1cccc3c1NCC3)C2 ZINC000647516202 1119965212 /nfs/dbraw/zinc/96/52/12/1119965212.db2.gz VSMVEVLOVYNWEK-UHFFFAOYSA-N 0 1 284.428 3.665 20 0 CHADMN CC(C)C[C@H](C)C[C@@H](C)N[C@H](C)c1csnn1 ZINC000414290608 1119968587 /nfs/dbraw/zinc/96/85/87/1119968587.db2.gz AEQIVYVCBZMELY-QJPTWQEYSA-N 0 1 255.431 3.650 20 0 CHADMN CC[C@H](N[C@H](C)c1csc(C(C)C)n1)[C@H](O)C(C)C ZINC000414294548 1119969012 /nfs/dbraw/zinc/96/90/12/1119969012.db2.gz NAUVOEYNDXVEBN-MBNYWOFBSA-N 0 1 284.469 3.713 20 0 CHADMN CCn1ccnc1NCc1cc2c(cc(C)cc2C)[nH]1 ZINC000414296808 1119971658 /nfs/dbraw/zinc/97/16/58/1119971658.db2.gz HEAGOPPJTRLQKK-UHFFFAOYSA-N 0 1 268.364 3.613 20 0 CHADMN Cc1cccc([C@H](N[C@@H](C)c2cn(C)cn2)C(C)C)c1 ZINC000926763108 1119972266 /nfs/dbraw/zinc/97/22/66/1119972266.db2.gz SGINBCWFKMSYTC-WMLDXEAASA-N 0 1 271.408 3.776 20 0 CHADMN Cc1ccc(CN[C@H](c2ccc(F)cc2)C2CCCC2)nn1 ZINC000414308696 1119975629 /nfs/dbraw/zinc/97/56/29/1119975629.db2.gz TTZYALHKSRZUQE-SFHVURJKSA-N 0 1 299.393 3.945 20 0 CHADMN COc1cc(F)c(CN2CCC[C@H](C)[C@H]2C)c(F)c1 ZINC001140826735 1119975750 /nfs/dbraw/zinc/97/57/50/1119975750.db2.gz OVKIHOYAEJMLIB-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3c(C)ccc(C)c32)on1 ZINC000186153914 1119979086 /nfs/dbraw/zinc/97/90/86/1119979086.db2.gz XUSWSARTAUWWMK-INIZCTEOSA-N 0 1 270.376 3.767 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414333836 1119987937 /nfs/dbraw/zinc/98/79/37/1119987937.db2.gz HXYFJCGOJHYQCW-MCIONIFRSA-N 0 1 293.455 3.536 20 0 CHADMN CC(C)Cc1ccc(CNCc2ccc(Cl)nc2)cn1 ZINC000892620481 1119988370 /nfs/dbraw/zinc/98/83/70/1119988370.db2.gz CAVNPEVIMBIWOI-UHFFFAOYSA-N 0 1 289.810 3.618 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CCCCc2ccccc21 ZINC000103258991 1119993402 /nfs/dbraw/zinc/99/34/02/1119993402.db2.gz KTZVPNJILNXCKF-UHFFFAOYSA-N 0 1 291.354 3.546 20 0 CHADMN CC(C)(C)c1nc[nH]c1C(=O)Nc1cscc1Cl ZINC000636437202 1120006722 /nfs/dbraw/zinc/00/67/22/1120006722.db2.gz GWQFOQRAWLFPBQ-UHFFFAOYSA-N 0 1 283.784 3.674 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1cn(C(C)C)nn1)c1ccccc1 ZINC000924581692 1120010020 /nfs/dbraw/zinc/01/00/20/1120010020.db2.gz UDGCXLPVJRQAGH-RHSMWYFYSA-N 0 1 286.423 3.907 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cccc(F)c1F ZINC000631754245 1128885457 /nfs/dbraw/zinc/88/54/57/1128885457.db2.gz CDGCBKAXBHTFFM-GTNGPMTGSA-N 0 1 265.225 3.566 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccc(C)s2)o1 ZINC000892669367 1120035063 /nfs/dbraw/zinc/03/50/63/1120035063.db2.gz RPAFXPOOCONAJS-NSHDSACASA-N 0 1 265.378 3.899 20 0 CHADMN COc1cccc(CN(C)[C@@H](C)c2ccccc2OC)c1 ZINC000047886779 1120041080 /nfs/dbraw/zinc/04/10/80/1120041080.db2.gz AKUQUWDOWHJFGL-AWEZNQCLSA-N 0 1 285.387 3.897 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000584517176 1120045026 /nfs/dbraw/zinc/04/50/26/1120045026.db2.gz PYYWIJKKCJECRJ-GFCCVEGCSA-N 0 1 289.400 3.588 20 0 CHADMN Cc1ccc2nc(N)n(-c3cccc(C)c3C)c2c1 ZINC000094660698 1120053629 /nfs/dbraw/zinc/05/36/29/1120053629.db2.gz FPDLEWCEOHYVQE-UHFFFAOYSA-N 0 1 251.333 3.533 20 0 CHADMN CC(C)(NCc1cnn(CCF)c1)c1ccc(Cl)cc1 ZINC000921673110 1120066476 /nfs/dbraw/zinc/06/64/76/1120066476.db2.gz XQVKMPLAGPTNDV-UHFFFAOYSA-N 0 1 295.789 3.531 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](C)c2ccccc21)c1ccccn1 ZINC000311714118 1120080196 /nfs/dbraw/zinc/08/01/96/1120080196.db2.gz OCGLMXJZGIEEIO-GDZNZVCISA-N 0 1 252.361 3.981 20 0 CHADMN CC[C@H](N[C@@H](c1ccccc1)C1CC1)c1ccn(C)n1 ZINC000542671888 1120082856 /nfs/dbraw/zinc/08/28/56/1120082856.db2.gz YLEQERSAPOSQNJ-RDJZCZTQSA-N 0 1 269.392 3.612 20 0 CHADMN CC(C)[N@@H+](Cc1cc2cccnc2o1)Cc1ccccn1 ZINC000648361791 1120084072 /nfs/dbraw/zinc/08/40/72/1120084072.db2.gz FFQWKULKNRMDMT-UHFFFAOYSA-N 0 1 281.359 3.633 20 0 CHADMN CC(C)N(Cc1cc2cccnc2o1)Cc1ccccn1 ZINC000648361791 1120084078 /nfs/dbraw/zinc/08/40/78/1120084078.db2.gz FFQWKULKNRMDMT-UHFFFAOYSA-N 0 1 281.359 3.633 20 0 CHADMN Cn1nc(CN[C@@H](c2cccs2)C2CC2)c2ccccc21 ZINC000589638883 1120086061 /nfs/dbraw/zinc/08/60/61/1120086061.db2.gz BZMVFQINZHJEQN-QGZVFWFLSA-N 0 1 297.427 3.876 20 0 CHADMN Cc1ccc([C@H](NCc2ccncc2F)C2CC2)cc1 ZINC000449076180 1128889580 /nfs/dbraw/zinc/88/95/80/1128889580.db2.gz SULCQUJLNYQLSG-KRWDZBQOSA-N 0 1 270.351 3.770 20 0 CHADMN CC(C)OCCN[C@@H](C)c1c(F)cccc1Cl ZINC000181731795 1120106377 /nfs/dbraw/zinc/10/63/77/1120106377.db2.gz OLYNNGUFVHJIIO-JTQLQIEISA-N 0 1 259.752 3.555 20 0 CHADMN CCc1nc(CN[C@H](C)c2ccc(Cl)cc2Cl)n[nH]1 ZINC000181746850 1120107054 /nfs/dbraw/zinc/10/70/54/1120107054.db2.gz PKEGPXYNDMCMNA-MRVPVSSYSA-N 0 1 299.205 3.525 20 0 CHADMN COc1ccc2c(c1)[C@H](NC/C=C/Cl)CCS2 ZINC000903443086 1120107848 /nfs/dbraw/zinc/10/78/48/1120107848.db2.gz BGFHGEMUFWBVQW-RDNKVPPGSA-N 0 1 269.797 3.574 20 0 CHADMN CC(C)(C)SCCNCc1c(Cl)n[nH]c1C1CC1 ZINC000921684124 1120109058 /nfs/dbraw/zinc/10/90/58/1120109058.db2.gz MABYEPVNCJQASR-UHFFFAOYSA-N 0 1 287.860 3.562 20 0 CHADMN CC(C)=CCC[N@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000659793423 1120110466 /nfs/dbraw/zinc/11/04/66/1120110466.db2.gz WLOLNOVFODDUSI-HZPDHXFCSA-N 0 1 279.424 3.698 20 0 CHADMN N#C[C@@H](C(=O)C[C@@H]1C=CCCC1)c1cnc2ccccc2n1 ZINC000190911634 1128890970 /nfs/dbraw/zinc/89/09/70/1128890970.db2.gz YYBRFEZPISUGQQ-ZIAGYGMSSA-N 0 1 291.354 3.552 20 0 CHADMN CC[C@H](C)O[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001204630090 1120112292 /nfs/dbraw/zinc/11/22/92/1120112292.db2.gz OWVWMAOEBRQYCR-SWLSCSKDSA-N 0 1 267.800 3.729 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H](C3CCCCC3)C2)o1 ZINC000659803728 1120113311 /nfs/dbraw/zinc/11/33/11/1120113311.db2.gz NUUCXBTXBDBTTB-AWEZNQCLSA-N 0 1 291.391 3.770 20 0 CHADMN CC[C@@H](C)O[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001204630777 1120114219 /nfs/dbraw/zinc/11/42/19/1120114219.db2.gz UVUCXGHZKUICCS-OCCSQVGLSA-N 0 1 267.800 3.729 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000659804489 1120114260 /nfs/dbraw/zinc/11/42/60/1120114260.db2.gz YBNWVIOGLVWUBV-LSDHHAIUSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@@H]1CCC[C@H](C)[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000659804474 1120114935 /nfs/dbraw/zinc/11/49/35/1120114935.db2.gz XRUWUCRURDUTII-DZGCQCFKSA-N 0 1 275.392 3.580 20 0 CHADMN Cc1cccc(CN[C@@H]2CCc3c2nccc3Cl)c1 ZINC000924597290 1120117923 /nfs/dbraw/zinc/11/79/23/1120117923.db2.gz HIZNEYJTCZZPEV-OAHLLOKOSA-N 0 1 272.779 3.821 20 0 CHADMN CCC(C)(CC)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000135334762 1120120289 /nfs/dbraw/zinc/12/02/89/1120120289.db2.gz DGAAFRMQBRKGQA-UHFFFAOYSA-N 0 1 259.353 3.636 20 0 CHADMN CCCCOCC[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000056268251 1120124279 /nfs/dbraw/zinc/12/42/79/1120124279.db2.gz LOHURMLYJBHMEE-UHFFFAOYSA-N 0 1 290.451 3.535 20 0 CHADMN N#C[C@@H](C(=O)C1CCCCCC1)c1cnc2ccccc2n1 ZINC000190935231 1128891897 /nfs/dbraw/zinc/89/18/97/1128891897.db2.gz WRKKQFPPCDVQPO-CQSZACIVSA-N 0 1 293.370 3.776 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCc3occc32)cc1F ZINC000110974864 1120129813 /nfs/dbraw/zinc/12/98/13/1120129813.db2.gz SLANTUWVXAIUAC-OAHLLOKOSA-N 0 1 259.324 3.894 20 0 CHADMN COc1ccc(CNCc2c(C)cc(C)cc2C)o1 ZINC000892732704 1120131946 /nfs/dbraw/zinc/13/19/46/1120131946.db2.gz JBEZOQWCOFIIFD-UHFFFAOYSA-N 0 1 259.349 3.503 20 0 CHADMN C[C@H]1CCC[C@@H](C[N@@H+](CCC(=O)[O-])Cc2ccccc2)C1 ZINC000692509030 1120136014 /nfs/dbraw/zinc/13/60/14/1120136014.db2.gz QJUSUNMZBMAONI-DOTOQJQBSA-N 0 1 289.419 3.790 20 0 CHADMN CC(C)N(Cc1cc(C2CC2)no1)Cc1ccccc1 ZINC000659835674 1120139293 /nfs/dbraw/zinc/13/92/93/1120139293.db2.gz OEDAWYHGPVJNNK-UHFFFAOYSA-N 0 1 270.376 3.963 20 0 CHADMN CC[C@@H](NCc1nc(C(C)(C)C)co1)C(C)(C)C ZINC000921697912 1120140359 /nfs/dbraw/zinc/14/03/59/1120140359.db2.gz NJYZIWUXJLSMBB-LLVKDONJSA-N 0 1 252.402 3.886 20 0 CHADMN CCc1nocc1CN(Cc1ccccc1)C(C)C ZINC000659835186 1120141233 /nfs/dbraw/zinc/14/12/33/1120141233.db2.gz CPMNMUKUXVDKLK-UHFFFAOYSA-N 0 1 258.365 3.648 20 0 CHADMN C[C@@H](O)CC(C)(C)CN[C@@H](c1ccco1)c1ccccc1 ZINC000183778897 1120141337 /nfs/dbraw/zinc/14/13/37/1120141337.db2.gz MNJKRRDKHSWTSD-RHSMWYFYSA-N 0 1 287.403 3.756 20 0 CHADMN CC[C@@H]1CCC[N@H+]1Cc1ccc(OC)cc1OC(F)F ZINC000511519883 1120143614 /nfs/dbraw/zinc/14/36/14/1120143614.db2.gz CCLRXNCJDDIVEP-GFCCVEGCSA-N 0 1 285.334 3.671 20 0 CHADMN COc1ccc(-c2n[nH]c(SCC3CCCC3)n2)cc1 ZINC000643094052 1120147699 /nfs/dbraw/zinc/14/76/99/1120147699.db2.gz SPVYUQOOACJAOW-UHFFFAOYSA-N 0 1 289.404 3.763 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2NCc1ccc(C)c(C)n1 ZINC000313801717 1120150500 /nfs/dbraw/zinc/15/05/00/1120150500.db2.gz GHAZGBYFAKBCBA-LJQANCHMSA-N 0 1 296.414 3.874 20 0 CHADMN Brc1cccc(CN2C3CCC2CC3)c1 ZINC000306827362 1120154009 /nfs/dbraw/zinc/15/40/09/1120154009.db2.gz DIPKOYCKLSNGAM-UHFFFAOYSA-N 0 1 266.182 3.576 20 0 CHADMN COc1cc([C@H](C)NCc2ccc(C)c(C)n2)ccc1F ZINC000313862015 1120154866 /nfs/dbraw/zinc/15/48/66/1120154866.db2.gz WJRWCYKOSHPVPY-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cccc3c1OCC3)CC2 ZINC000921704245 1120155587 /nfs/dbraw/zinc/15/55/87/1120155587.db2.gz KFPZIGRNTBSCGZ-KRWDZBQOSA-N 0 1 283.346 3.538 20 0 CHADMN C[C@@H](NCC(=O)Nc1ccccc1)c1cccc(Cl)c1 ZINC000057382158 1120157893 /nfs/dbraw/zinc/15/78/93/1120157893.db2.gz HJDOGNDUKIGFRW-GFCCVEGCSA-N 0 1 288.778 3.629 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cnn(C3CCC3)c1)CC2 ZINC000921705371 1120159651 /nfs/dbraw/zinc/15/96/51/1120159651.db2.gz UFPYMMIWOSTHGL-KRWDZBQOSA-N 0 1 285.366 3.524 20 0 CHADMN CCOc1ccc(CN[C@H]2CCc3c2cccc3C)o1 ZINC000892921521 1120161616 /nfs/dbraw/zinc/16/16/16/1120161616.db2.gz VAXGRYXDHPOBFB-INIZCTEOSA-N 0 1 271.360 3.764 20 0 CHADMN C[C@@H](c1nc(C2(C)CCCC2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000624758438 1120165051 /nfs/dbraw/zinc/16/50/51/1120165051.db2.gz OWIWTNCWLXKVPJ-XQQFMLRXSA-N 0 1 277.412 3.835 20 0 CHADMN C[C@@H](c1nc(C2(C)CCCC2)no1)N1[C@H](C)CC[C@@H]1C ZINC000624758438 1120165054 /nfs/dbraw/zinc/16/50/54/1120165054.db2.gz OWIWTNCWLXKVPJ-XQQFMLRXSA-N 0 1 277.412 3.835 20 0 CHADMN CC(C)(NCc1ccncc1Cl)c1ccc(F)cc1 ZINC000174846320 1120174252 /nfs/dbraw/zinc/17/42/52/1120174252.db2.gz ZWHIMZXMKVMYFF-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN C[C@H]1CCCC[C@H]1CCNCc1nnc(C2CC2)s1 ZINC000892950814 1120178558 /nfs/dbraw/zinc/17/85/58/1120178558.db2.gz JLJWYQHXCSCOSH-RYUDHWBXSA-N 0 1 279.453 3.722 20 0 CHADMN Cc1ccc(C)c(NC(=O)C[N@@H+]2CCCC[C@@H]2C(C)C)c1 ZINC000303726766 1120180970 /nfs/dbraw/zinc/18/09/70/1120180970.db2.gz XUFWUUCPFUSBPX-QGZVFWFLSA-N 0 1 288.435 3.752 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SC[C@@H]3C[C@@H]3C)n2)o1 ZINC000629116757 1128897106 /nfs/dbraw/zinc/89/71/06/1128897106.db2.gz UKDDCUQPVYZWCJ-IYZHVSIOSA-N 0 1 275.377 3.625 20 0 CHADMN COCCN(Cc1nsc2ccccc21)C1CCCC1 ZINC000659850575 1120189365 /nfs/dbraw/zinc/18/93/65/1120189365.db2.gz AKUSMUWLXHFHCS-UHFFFAOYSA-N 0 1 290.432 3.687 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SC[C@@H]3C[C@H]3C)n2)o1 ZINC000629116754 1128897206 /nfs/dbraw/zinc/89/72/06/1128897206.db2.gz UKDDCUQPVYZWCJ-DFJPWHLASA-N 0 1 275.377 3.625 20 0 CHADMN Oc1ccc(CNC2(c3cccc(Cl)c3)CC2)cc1F ZINC000893008626 1120196590 /nfs/dbraw/zinc/19/65/90/1120196590.db2.gz METRBTAUTGKHFA-UHFFFAOYSA-N 0 1 291.753 3.964 20 0 CHADMN CCCc1noc(CN2CCCC[C@@H]2CCC(C)C)n1 ZINC000472828768 1120198694 /nfs/dbraw/zinc/19/86/94/1120198694.db2.gz AXKFCYTTZBSZPR-CQSZACIVSA-N 0 1 279.428 3.813 20 0 CHADMN C[C@H]1CCC[N@@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000060486371 1120200661 /nfs/dbraw/zinc/20/06/61/1120200661.db2.gz UQIBKSBEYWVNBU-IILDEKEXSA-N 0 1 275.436 3.504 20 0 CHADMN Cc1nc([C@@H](C)N[C@H](C)COc2ccc(C)cc2)cs1 ZINC000040499592 1120203040 /nfs/dbraw/zinc/20/30/40/1120203040.db2.gz KHMMGIRMAHHXSC-CHWSQXEVSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cc(C)cc(C)c1 ZINC000073006841 1120206098 /nfs/dbraw/zinc/20/60/98/1120206098.db2.gz FBPSHNRZHJOSNS-LBPRGKRZSA-N 0 1 258.365 3.759 20 0 CHADMN CCc1cc(O)ccc1NC(=O)c1ccc(Cl)cc1O ZINC000191018038 1128898628 /nfs/dbraw/zinc/89/86/28/1128898628.db2.gz WTPBXDCGHPCDCJ-UHFFFAOYSA-N 0 1 291.734 3.566 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000338724821 1120212826 /nfs/dbraw/zinc/21/28/26/1120212826.db2.gz LBDRBMWPEJOKFI-CJNGLKHVSA-N 0 1 289.810 3.935 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N1CCC[C@H](n2cccn2)C1 ZINC000338724821 1120212831 /nfs/dbraw/zinc/21/28/31/1120212831.db2.gz LBDRBMWPEJOKFI-CJNGLKHVSA-N 0 1 289.810 3.935 20 0 CHADMN CS[C@H](C)CN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343848601 1120214668 /nfs/dbraw/zinc/21/46/68/1120214668.db2.gz FKIMOOIOEXIBHS-RQJHMYQMSA-N 0 1 284.372 3.564 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000338726423 1120216424 /nfs/dbraw/zinc/21/64/24/1120216424.db2.gz QNWZQGWJCKLQAS-OCCSQVGLSA-N 0 1 291.345 3.559 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCC[C@H](n2cccn2)C1 ZINC000338726423 1120216428 /nfs/dbraw/zinc/21/64/28/1120216428.db2.gz QNWZQGWJCKLQAS-OCCSQVGLSA-N 0 1 291.345 3.559 20 0 CHADMN CC[C@H](C)C[C@@H](C)NCc1nnc(C(C)C)s1 ZINC000893084523 1120217576 /nfs/dbraw/zinc/21/75/76/1120217576.db2.gz BWHYNQOGLNTAIA-WDEREUQCSA-N 0 1 255.431 3.576 20 0 CHADMN CCc1noc(C)c1CNc1ccnc2cc(F)ccc21 ZINC000338729105 1120218699 /nfs/dbraw/zinc/21/86/99/1120218699.db2.gz ZADWVJJDPFWZME-UHFFFAOYSA-N 0 1 285.322 3.845 20 0 CHADMN CCC(CC)(CNCc1nnc(C(C)C)s1)SC ZINC000893094605 1120219901 /nfs/dbraw/zinc/21/99/01/1120219901.db2.gz MORVRKOKAMMUPR-UHFFFAOYSA-N 0 1 287.498 3.673 20 0 CHADMN COC(=O)c1coc(C[N@@H+](CC2CCCCC2)C2CC2)c1 ZINC000338733419 1120223906 /nfs/dbraw/zinc/22/39/06/1120223906.db2.gz UYXXIRMSRQSPPM-UHFFFAOYSA-N 0 1 291.391 3.611 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2nc3ccc(F)cc3o2)CC1(C)C ZINC000545416891 1120224833 /nfs/dbraw/zinc/22/48/33/1120224833.db2.gz LXCJDAIFMUADDR-LLVKDONJSA-N 0 1 276.355 3.835 20 0 CHADMN C[C@@H]1CCN(Cc2nc3ccc(F)cc3o2)CC1(C)C ZINC000545416891 1120224836 /nfs/dbraw/zinc/22/48/36/1120224836.db2.gz LXCJDAIFMUADDR-LLVKDONJSA-N 0 1 276.355 3.835 20 0 CHADMN Cc1c2cccc(F)c2oc1-c1nc([C@@H](N)C(C)C)no1 ZINC000843147820 1120235086 /nfs/dbraw/zinc/23/50/86/1120235086.db2.gz GZMORFQGDABPFB-NSHDSACASA-N 0 1 289.310 3.586 20 0 CHADMN CS[C@H]1CCC[C@H](NCc2nnc(C(C)(C)C)s2)C1 ZINC000921840212 1120236338 /nfs/dbraw/zinc/23/63/38/1120236338.db2.gz ZADFTBPAYAEMQC-QWRGUYRKSA-N 0 1 299.509 3.599 20 0 CHADMN CCc1ccc([C@H](C)Cc2nc([C@H](N)C(C)C)no2)cc1 ZINC000843148911 1120246648 /nfs/dbraw/zinc/24/66/48/1120246648.db2.gz FTPXHHIZXOSGSD-MLGOLLRUSA-N 0 1 287.407 3.634 20 0 CHADMN C/C(=C\c1ccc(Cl)cc1)c1nc([C@@H](N)C(C)C)no1 ZINC000843148967 1120247081 /nfs/dbraw/zinc/24/70/81/1120247081.db2.gz GVPBBKQECDHSMH-FROQITRMSA-N 0 1 291.782 3.939 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@@H](C)SCc2ccccc2)n1 ZINC000843148825 1120248845 /nfs/dbraw/zinc/24/88/45/1120248845.db2.gz XONRIJYJVRBTCB-DGCLKSJQSA-N 0 1 291.420 3.720 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@H](C)SCc2ccccc2)n1 ZINC000843148826 1120249273 /nfs/dbraw/zinc/24/92/73/1120249273.db2.gz XONRIJYJVRBTCB-WCQYABFASA-N 0 1 291.420 3.720 20 0 CHADMN Cc1c2cccc(C)c2oc1-c1nc([C@H](N)C(C)C)no1 ZINC000843149259 1120254122 /nfs/dbraw/zinc/25/41/22/1120254122.db2.gz KXYNQATULWOXDO-GFCCVEGCSA-N 0 1 285.347 3.755 20 0 CHADMN CC/C(=C/c1nc([C@H](N)C(C)C)no1)c1ccc(C)cc1 ZINC000843151675 1120257211 /nfs/dbraw/zinc/25/72/11/1120257211.db2.gz GIPAZKHLEORQOA-IVOILVROSA-N 0 1 285.391 3.984 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)N(C)Cc1cn[nH]c1 ZINC000085825457 1120258125 /nfs/dbraw/zinc/25/81/25/1120258125.db2.gz VPBSIDHHTHYOJD-CYBMUJFWSA-N 0 1 271.408 3.900 20 0 CHADMN C[C@H](NC[C@H](O)c1ccccc1)c1c(F)cccc1Cl ZINC000181747470 1128902783 /nfs/dbraw/zinc/90/27/83/1128902783.db2.gz ISUYTCZGQJMDNB-NHYWBVRUSA-N 0 1 293.769 3.863 20 0 CHADMN C[C@H]1Cc2ccccc2[C@H]1NCc1cccc(F)c1F ZINC000111411596 1120260239 /nfs/dbraw/zinc/26/02/39/1120260239.db2.gz ZJXDVJNVCYWHFS-GTNSWQLSSA-N 0 1 273.326 3.988 20 0 CHADMN CCC[C@@H](Nc1cnn(-c2ccncc2)c1)C1CCC1 ZINC000651303865 1120262756 /nfs/dbraw/zinc/26/27/56/1120262756.db2.gz TWHSCIMGFOBUJW-MRXNPFEDSA-N 0 1 270.380 3.648 20 0 CHADMN CC(=O)[C@H](N[C@@H]1Cc2cccc(Cl)c2C1)c1ccccc1 ZINC001168693513 1120271428 /nfs/dbraw/zinc/27/14/28/1120271428.db2.gz SFVVOTGSFWCDQW-QAPCUYQASA-N 0 1 299.801 3.727 20 0 CHADMN CCOc1ccccc1[C@@H](CC)N[C@H](C)c1c[nH]nc1C ZINC000180386244 1120273857 /nfs/dbraw/zinc/27/38/57/1120273857.db2.gz BVBUPYBNYWYGJF-MLGOLLRUSA-N 0 1 287.407 3.919 20 0 CHADMN Clc1cccc2c1C[C@H](NCc1ncccc1Cl)C2 ZINC001168694216 1120275768 /nfs/dbraw/zinc/27/57/68/1120275768.db2.gz VIDRSRYQCPYWQZ-LLVKDONJSA-N 0 1 293.197 3.645 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1scnc1C1CC1 ZINC000355190669 1120277151 /nfs/dbraw/zinc/27/71/51/1120277151.db2.gz AGMFOTCGIUEDAW-WCBMZHEXSA-N 0 1 290.354 3.793 20 0 CHADMN COc1ccc(CNCc2cc(O)cc(Cl)c2)c(C)c1 ZINC000893172436 1120277896 /nfs/dbraw/zinc/27/78/96/1120277896.db2.gz FVROGQMOINMAIY-UHFFFAOYSA-N 0 1 291.778 3.652 20 0 CHADMN CCN(Cc1cc(OC)ccn1)[C@H](C)c1ccc(F)cc1 ZINC000106933788 1120281652 /nfs/dbraw/zinc/28/16/52/1120281652.db2.gz UYUULOZZWVOLMV-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN Cc1ccccc1[C@H]1C[C@H](C)N(Cc2nnc(C3CC3)o2)C1 ZINC000076385217 1120282429 /nfs/dbraw/zinc/28/24/29/1120282429.db2.gz XZEDEFXCUCMCLC-ZFWWWQNUSA-N 0 1 297.402 3.633 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2nnc(C3CC3)o2)C1 ZINC000076385207 1120282597 /nfs/dbraw/zinc/28/25/97/1120282597.db2.gz XZEDEFXCUCMCLC-DZGCQCFKSA-N 0 1 297.402 3.633 20 0 CHADMN C[C@@H]1CSC[C@@H]1Nc1ccnc2cc(F)ccc21 ZINC000672327450 1120290241 /nfs/dbraw/zinc/29/02/41/1120290241.db2.gz YUABBOSKGJONSE-OTYXRUKQSA-N 0 1 262.353 3.537 20 0 CHADMN Clc1ccc(NCc2cnc(-c3ccccc3)[nH]2)nc1 ZINC000181539118 1120298499 /nfs/dbraw/zinc/29/84/99/1120298499.db2.gz NJUVJMHFPXDOCJ-UHFFFAOYSA-N 0 1 284.750 3.737 20 0 CHADMN CC(C)[C@H](NCc1ccc(Cl)nc1)c1ccc(F)cn1 ZINC000779394405 1128906247 /nfs/dbraw/zinc/90/62/47/1128906247.db2.gz WQZSONUYDWESLQ-HNNXBMFYSA-N 0 1 293.773 3.756 20 0 CHADMN Cc1cc(C)c(CNCc2cn3cccc(C)c3n2)c(C)c1 ZINC000076895170 1120299554 /nfs/dbraw/zinc/29/95/54/1120299554.db2.gz IBYJRWNJKNHKLQ-UHFFFAOYSA-N 0 1 293.414 3.858 20 0 CHADMN C[C@H]1CCC[C@H](OCC(=O)Nc2cccc(Cl)c2O)C1 ZINC000077012952 1120306222 /nfs/dbraw/zinc/30/62/22/1120306222.db2.gz JWCABSMMRFHXEJ-QWRGUYRKSA-N 0 1 297.782 3.579 20 0 CHADMN CC(C)c1cc(C(=O)N(C)[C@@H]2CCC[C@H]2C(C)(C)C)n[nH]1 ZINC000416298221 1120307874 /nfs/dbraw/zinc/30/78/74/1120307874.db2.gz YLSTZASQXRGNOC-IUODEOHRSA-N 0 1 291.439 3.820 20 0 CHADMN C[C@H](NCc1cncs1)c1cccc(N2CCCC2)c1 ZINC000136324146 1120310068 /nfs/dbraw/zinc/31/00/68/1120310068.db2.gz SXECRNVYJQFVNY-ZDUSSCGKSA-N 0 1 287.432 3.594 20 0 CHADMN Cc1cccc([C@H](C)NCc2cccc3c2OCCO3)c1 ZINC000157230635 1120314895 /nfs/dbraw/zinc/31/48/95/1120314895.db2.gz PLHHWLMQDMICEV-AWEZNQCLSA-N 0 1 283.371 3.617 20 0 CHADMN Cc1cc(CN2CC[C@H](C)C[C@@H]2c2ccco2)nc(C)n1 ZINC000659970930 1120317262 /nfs/dbraw/zinc/31/72/62/1120317262.db2.gz SMFNAAIGIGVTBZ-BLLLJJGKSA-N 0 1 285.391 3.660 20 0 CHADMN Cc1ccc(C(=O)CN[C@@H]2Cc3cccc(Cl)c3C2)cc1 ZINC001168699065 1120319388 /nfs/dbraw/zinc/31/93/88/1120319388.db2.gz NEKGXCNYJPGZNY-OAHLLOKOSA-N 0 1 299.801 3.588 20 0 CHADMN CCCN[C@H](C)c1nc(-c2cccc(OCCC)c2)no1 ZINC000843182643 1120319732 /nfs/dbraw/zinc/31/97/32/1120319732.db2.gz NSIWAQAYWBVGQZ-GFCCVEGCSA-N 0 1 289.379 3.586 20 0 CHADMN CCCN[C@H](C)c1nc(CCC2CCCCC2)no1 ZINC000843183570 1120321455 /nfs/dbraw/zinc/32/14/55/1120321455.db2.gz NYJQTKJIOBGNPV-GFCCVEGCSA-N 0 1 265.401 3.643 20 0 CHADMN Cc1cc(C)cc([C@@H]2CCN(Cn3cccnc3=S)C2)c1 ZINC000182797549 1120329369 /nfs/dbraw/zinc/32/93/69/1120329369.db2.gz UMYKGAVAMJOCJD-OAHLLOKOSA-N 0 1 299.443 3.676 20 0 CHADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000387886536 1120332450 /nfs/dbraw/zinc/33/24/50/1120332450.db2.gz QGFZMXZEIOBFHS-KBXCAEBGSA-N 0 1 295.382 3.649 20 0 CHADMN CC[C@H]1CC[C@@H]1NCc1c(F)c(F)cc(F)c1F ZINC000672605866 1120333072 /nfs/dbraw/zinc/33/30/72/1120333072.db2.gz YASQKYGEEAIJGN-CPCISQLKSA-N 0 1 261.262 3.521 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC/C=C\c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000629376586 1128908899 /nfs/dbraw/zinc/90/88/99/1128908899.db2.gz IYISERJESUDJDB-USLOPTJISA-N 0 1 299.414 3.665 20 0 CHADMN C[C@@H](CCc1ccsc1)N[C@H]1CCCC1(F)F ZINC000672622352 1120335540 /nfs/dbraw/zinc/33/55/40/1120335540.db2.gz YHRVGUIBDTXRSF-JQWIXIFHSA-N 0 1 259.365 3.847 20 0 CHADMN CC[C@@H](Cc1cccs1)NCc1nccc(C(F)F)n1 ZINC000672623926 1120337815 /nfs/dbraw/zinc/33/78/15/1120337815.db2.gz CCBBKTAJFGBJJH-JTQLQIEISA-N 0 1 297.374 3.587 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000629376096 1128909198 /nfs/dbraw/zinc/90/91/98/1128909198.db2.gz RKENFBVKIWYBBJ-BAABZTOOSA-N 0 1 273.376 3.563 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC/C=C/c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000629376582 1128909220 /nfs/dbraw/zinc/90/92/20/1128909220.db2.gz IYISERJESUDJDB-MQUDLROCSA-N 0 1 299.414 3.665 20 0 CHADMN CCC[C@@H](C)N(C)CC(=O)Nc1cccc(Cl)c1C ZINC000042147465 1120339396 /nfs/dbraw/zinc/33/93/96/1120339396.db2.gz FZYNISFCWWSZPZ-LLVKDONJSA-N 0 1 282.815 3.707 20 0 CHADMN COc1c(F)cc(F)cc1CN1CCCC[C@H](C)C1 ZINC001143552327 1120341352 /nfs/dbraw/zinc/34/13/52/1120341352.db2.gz YQSMVUQNSXPSQI-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN Cc1nc(CN2CCC[C@H]2CCCc2ccccc2)co1 ZINC000660013365 1120341921 /nfs/dbraw/zinc/34/19/21/1120341921.db2.gz POQPEVDFSWWDIO-GOSISDBHSA-N 0 1 284.403 3.970 20 0 CHADMN CCCC[C@H](CC)CN1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000183629863 1120344218 /nfs/dbraw/zinc/34/42/18/1120344218.db2.gz FLVLWZVGYUTACX-KBPBESRZSA-N 0 1 294.405 3.771 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cnn(C3CCC3)c1)CCC2 ZINC000922079596 1120359028 /nfs/dbraw/zinc/35/90/28/1120359028.db2.gz PNOADGMPGXSTNJ-SFHVURJKSA-N 0 1 299.393 3.914 20 0 CHADMN CS[C@H](CNCc1ncc(Cl)s1)C(C)(C)C ZINC000309864266 1120369749 /nfs/dbraw/zinc/36/97/49/1120369749.db2.gz NSXZAKYBIDQCEK-MRVPVSSYSA-N 0 1 278.874 3.664 20 0 CHADMN C[C@H]1CC(CCNCc2nc(C(C)(C)C)co2)C[C@H](C)O1 ZINC000922110516 1120370296 /nfs/dbraw/zinc/37/02/96/1120370296.db2.gz CYWRIEBVTQLEIP-STQMWFEESA-N 0 1 294.439 3.655 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(-c2ccc(C)cc2F)no1 ZINC000843211903 1120370831 /nfs/dbraw/zinc/37/08/31/1120370831.db2.gz HDRJCNLOJQBNCY-ZDUSSCGKSA-N 0 1 291.370 3.881 20 0 CHADMN O=[N+]([O-])c1ccc(CN2CCC3(CCC3)C2)cc1Cl ZINC000185251621 1120373807 /nfs/dbraw/zinc/37/38/07/1120373807.db2.gz GBZGINKJWMKMAU-UHFFFAOYSA-N 0 1 280.755 3.624 20 0 CHADMN CSCc1ccc(CNCc2cccc3c2OCC3)cc1 ZINC000922122973 1120374255 /nfs/dbraw/zinc/37/42/55/1120374255.db2.gz FBACGIPMAUWFLF-UHFFFAOYSA-N 0 1 299.439 3.774 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(OC(C)C)c2)nc(C)n1 ZINC000660184197 1128916763 /nfs/dbraw/zinc/91/67/63/1128916763.db2.gz QKOUYHWMASZXBL-CQSZACIVSA-N 0 1 299.418 3.731 20 0 CHADMN Cc1nc(CN2CCCC[C@H]2CCC(C)C)co1 ZINC000660101291 1120377339 /nfs/dbraw/zinc/37/73/39/1120377339.db2.gz MRTCBOGJCSBCHT-HNNXBMFYSA-N 0 1 250.386 3.774 20 0 CHADMN CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1cc(C2CC2)no1 ZINC000660099707 1120377615 /nfs/dbraw/zinc/37/76/15/1120377615.db2.gz IUKWUGYCIPFBDI-JKSUJKDBSA-N 0 1 292.423 3.578 20 0 CHADMN CC/C(C)=C(\C)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000780915810 1120384424 /nfs/dbraw/zinc/38/44/24/1120384424.db2.gz XVESPTHWNULTMM-BUYIWHAFSA-N 0 1 292.423 3.525 20 0 CHADMN C1=CC[C@]2(CC1)CCCN(Cc1noc3c1CCCC3)C2 ZINC000114495211 1120385448 /nfs/dbraw/zinc/38/54/48/1120385448.db2.gz IFVXUMCIOPJAED-SFHVURJKSA-N 0 1 286.419 3.876 20 0 CHADMN CCC(CC)c1cc(CN[C@@H]2C[C@H](OC)C23CCC3)on1 ZINC000453114669 1120386651 /nfs/dbraw/zinc/38/66/51/1120386651.db2.gz HBLWXSQSQLAKGW-CVEARBPZSA-N 0 1 292.423 3.625 20 0 CHADMN COc1ccc([C@H](NCc2cc[nH]c2)c2ccccc2)cc1 ZINC000086249579 1120394566 /nfs/dbraw/zinc/39/45/66/1120394566.db2.gz MNMJUEXDDDENQO-LJQANCHMSA-N 0 1 292.382 3.903 20 0 CHADMN Cc1ccc(CN(C)[C@H](C)c2cnc(C)nc2C)cc1 ZINC000681640663 1120402808 /nfs/dbraw/zinc/40/28/08/1120402808.db2.gz BUTHKRSRUVQIBJ-CQSZACIVSA-N 0 1 269.392 3.595 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])sc1C ZINC000213476675 1120421907 /nfs/dbraw/zinc/42/19/07/1120421907.db2.gz LYQPYCAYFYRLFV-CYBMUJFWSA-N 0 1 281.421 3.909 20 0 CHADMN C[C@H](c1ncccn1)[N@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000930819332 1120431745 /nfs/dbraw/zinc/43/17/45/1120431745.db2.gz DPWGOERHMYYBKD-QLFBSQMISA-N 0 1 273.424 3.686 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnccn1)c1ccc(C2CC2)cc1 ZINC000417351867 1120437706 /nfs/dbraw/zinc/43/77/06/1120437706.db2.gz DQGAYAJRZXELBS-OLZOCXBDSA-N 0 1 267.376 3.766 20 0 CHADMN COc1ccc([C@@H](C)N[C@H]2COCc3ccccc32)c(C)c1 ZINC000417368649 1120438966 /nfs/dbraw/zinc/43/89/66/1120438966.db2.gz RIDYEOSWCKVYLN-KUHUBIRLSA-N 0 1 297.398 3.926 20 0 CHADMN COc1cc(CN[C@H](c2cccc(C)c2)C(C)(C)C)on1 ZINC000660203917 1120440831 /nfs/dbraw/zinc/44/08/31/1120440831.db2.gz VWHGWPORKAYNKC-MRXNPFEDSA-N 0 1 288.391 3.869 20 0 CHADMN Fc1cccc(CCN2CCC[C@@H]2c2ccc[nH]2)c1F ZINC000543140266 1120442423 /nfs/dbraw/zinc/44/24/23/1120442423.db2.gz RAPPIIBRBOSCSR-OAHLLOKOSA-N 0 1 276.330 3.673 20 0 CHADMN C[C@@H]1CCCCC[N@H+]1CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000584785932 1120446720 /nfs/dbraw/zinc/44/67/20/1120446720.db2.gz UJDPJMRTNPVRLR-GDBMZVCRSA-N 0 1 275.392 3.509 20 0 CHADMN COC[C@H]1CCCCN(c2ccnc3cc(F)ccc32)C1 ZINC000364130064 1120448349 /nfs/dbraw/zinc/44/83/49/1120448349.db2.gz VFKPMMNTYNFNKQ-ZDUSSCGKSA-N 0 1 288.366 3.627 20 0 CHADMN CN(Cc1ncc(C(C)(C)C)o1)C[C@@H]1CC=CCC1 ZINC000543172480 1120452557 /nfs/dbraw/zinc/45/25/57/1120452557.db2.gz LSBTWWJBXGNJKX-CYBMUJFWSA-N 0 1 262.397 3.760 20 0 CHADMN CSc1cccc(CN2CCC[C@@H](OC(F)F)C2)c1 ZINC000660235083 1120456363 /nfs/dbraw/zinc/45/63/63/1120456363.db2.gz NEIDWVOWLJWICE-GFCCVEGCSA-N 0 1 287.375 3.612 20 0 CHADMN CCc1noc(C)c1CNCc1cc2ccc(C)cc2[nH]1 ZINC000657475101 1120466136 /nfs/dbraw/zinc/46/61/36/1120466136.db2.gz JJISAEXMAQIVGN-UHFFFAOYSA-N 0 1 283.375 3.625 20 0 CHADMN CCCc1cc(C(=O)N2CC[C@H](C(C)(C)C)C[C@H]2C)n[nH]1 ZINC000673395205 1120466542 /nfs/dbraw/zinc/46/65/42/1120466542.db2.gz JHSPAMUDBJPAJU-OLZOCXBDSA-N 0 1 291.439 3.649 20 0 CHADMN c1coc(-c2cc(CN3CCc4ccccc4CC3)no2)c1 ZINC000116300141 1120467382 /nfs/dbraw/zinc/46/73/82/1120467382.db2.gz YZDZKJSKBXPYCY-UHFFFAOYSA-N 0 1 294.354 3.535 20 0 CHADMN COCC[C@@H](NCc1cccc(SC)c1)c1ccco1 ZINC000660255577 1120467506 /nfs/dbraw/zinc/46/75/06/1120467506.db2.gz DJXDLCVCDXBNLM-OAHLLOKOSA-N 0 1 291.416 3.869 20 0 CHADMN CCCCc1noc([C@H](C)N2CCc3ccccc3CC2)n1 ZINC000116300903 1120467492 /nfs/dbraw/zinc/46/74/92/1120467492.db2.gz SJFJJFLRANIBNG-AWEZNQCLSA-N 0 1 299.418 3.574 20 0 CHADMN CO[C@H](CNC(C)(C)c1ncc(C)s1)C1CCCCC1 ZINC000660262242 1120473011 /nfs/dbraw/zinc/47/30/11/1120473011.db2.gz DWXIKOCNEFPMED-CQSZACIVSA-N 0 1 296.480 3.872 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1Cc1csc(C(C)C)n1 ZINC000080660880 1120474917 /nfs/dbraw/zinc/47/49/17/1120474917.db2.gz OBKHTDDCJRLELY-WCQYABFASA-N 0 1 252.427 3.887 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1Cc1csc(C(C)C)n1 ZINC000080660887 1120474952 /nfs/dbraw/zinc/47/49/52/1120474952.db2.gz OBKHTDDCJRLELY-YPMHNXCESA-N 0 1 252.427 3.887 20 0 CHADMN C[C@@H](N[C@H]1C=CCCCCC1)c1nnc2n1CCCCC2 ZINC000660266320 1120475683 /nfs/dbraw/zinc/47/56/83/1120475683.db2.gz USATYHDFLDMPFR-CABCVRRESA-N 0 1 288.439 3.544 20 0 CHADMN c1cc2cc(CNCc3nccc4c3CCCC4)ccc2o1 ZINC000922238292 1120480150 /nfs/dbraw/zinc/48/01/50/1120480150.db2.gz BORDJYFUGUMOOU-UHFFFAOYSA-N 0 1 292.382 3.996 20 0 CHADMN CCn1cncc1CN1CCCC[C@@H]1c1ccc(C)cc1 ZINC000417777882 1120480680 /nfs/dbraw/zinc/48/06/80/1120480680.db2.gz SIDHINWJTJMLDH-GOSISDBHSA-N 0 1 283.419 3.939 20 0 CHADMN CCn1cncc1CN1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000417790334 1120481920 /nfs/dbraw/zinc/48/19/20/1120481920.db2.gz KQOXRUZBPIZYFP-GUYCJALGSA-N 0 1 287.382 3.625 20 0 CHADMN Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)c1ccn[nH]1 ZINC000673460756 1120498624 /nfs/dbraw/zinc/49/86/24/1120498624.db2.gz TZKQLSGGVOZJFY-CQSZACIVSA-N 0 1 285.391 3.578 20 0 CHADMN CC[C@H](C)N1CCc2c(Br)cccc2C1 ZINC000500069421 1120503293 /nfs/dbraw/zinc/50/32/93/1120503293.db2.gz QDYXODUUMUSVIK-JTQLQIEISA-N 0 1 268.198 3.606 20 0 CHADMN CCn1cncc1CN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000417994327 1120503331 /nfs/dbraw/zinc/50/33/31/1120503331.db2.gz YPHVYHKXYPAHJV-QXPKXGMISA-N 0 1 281.403 3.581 20 0 CHADMN C[C@@H]1Cc2cc(CNCc3cccc(F)c3F)ccc2O1 ZINC000922301874 1120503748 /nfs/dbraw/zinc/50/37/48/1120503748.db2.gz KVTAQVFHHWKPBY-LLVKDONJSA-N 0 1 289.325 3.578 20 0 CHADMN C[C@@H](C(=O)Nc1ccc(CN(C)C)c(F)c1)C1CCCC1 ZINC000086236860 1120505995 /nfs/dbraw/zinc/50/59/95/1120505995.db2.gz WPXJHTZZCMUTFY-GFCCVEGCSA-N 0 1 292.398 3.652 20 0 CHADMN CCc1cc(=O)[n-]c(C[N@@H+]2CCCC[C@@H]2CCC(C)C)n1 ZINC001307557860 1120511696 /nfs/dbraw/zinc/51/16/96/1120511696.db2.gz WKLYSYZMQMKJKB-OAHLLOKOSA-N 0 1 291.439 3.535 20 0 CHADMN CCc1cc(=O)[n-]c(C[N@H+]2CCCC[C@@H]2CCC(C)C)n1 ZINC001307557860 1120511700 /nfs/dbraw/zinc/51/17/00/1120511700.db2.gz WKLYSYZMQMKJKB-OAHLLOKOSA-N 0 1 291.439 3.535 20 0 CHADMN Fc1ccc(CNCc2cc3ccccc3o2)cc1 ZINC000020090592 1120520433 /nfs/dbraw/zinc/52/04/33/1120520433.db2.gz SIGATGUPYHOHEP-UHFFFAOYSA-N 0 1 255.292 3.862 20 0 CHADMN Cc1cccc(CCNc2ccnc3cc(F)ccc32)n1 ZINC000359815881 1120524386 /nfs/dbraw/zinc/52/43/86/1120524386.db2.gz KDOFVYLWMRBXNO-UHFFFAOYSA-N 0 1 281.334 3.732 20 0 CHADMN CC(C)Cc1noc(CN[C@H](C)[C@@H](C)C2CCCCC2)n1 ZINC000543461302 1120527508 /nfs/dbraw/zinc/52/75/08/1120527508.db2.gz YIXJWUWXNFCBPK-ZIAGYGMSSA-N 0 1 293.455 3.963 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@H]2c3ccccc3CC[C@H]2C)nn1 ZINC000925658432 1120529465 /nfs/dbraw/zinc/52/94/65/1120529465.db2.gz UCIRXQSTTGKKQS-QWQRMKEZSA-N 0 1 298.434 3.833 20 0 CHADMN Cc1sccc1CNCc1nccc2c1CCCC2 ZINC000922463876 1120541148 /nfs/dbraw/zinc/54/11/48/1120541148.db2.gz OTUJIUOIOIOTIF-UHFFFAOYSA-N 0 1 272.417 3.620 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccccc2OC)cc1 ZINC000019909024 1120545063 /nfs/dbraw/zinc/54/50/63/1120545063.db2.gz MSCWDPZRNKQELX-CYBMUJFWSA-N 0 1 271.360 3.555 20 0 CHADMN CC(C)[C@@H](CC(F)(F)F)NCc1cc(C2CC2)no1 ZINC000660372412 1120546274 /nfs/dbraw/zinc/54/62/74/1120546274.db2.gz FPOMUBMAGUXFSB-GFCCVEGCSA-N 0 1 276.302 3.619 20 0 CHADMN C[C@H](NCc1ccccn1)c1ccccc1C(F)(F)F ZINC000019957312 1120551250 /nfs/dbraw/zinc/55/12/50/1120551250.db2.gz UJCJNKNHWLEQTN-NSHDSACASA-N 0 1 280.293 3.951 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cn3ccccc3n1)[C@H](C)C2 ZINC000272612207 1120552085 /nfs/dbraw/zinc/55/20/85/1120552085.db2.gz UXPGMZKNHSJLQT-KUHUBIRLSA-N 0 1 291.398 3.666 20 0 CHADMN CC[C@H]1CCCCCN1Cc1nc(Cc2ccccc2)no1 ZINC000150735673 1120552796 /nfs/dbraw/zinc/55/27/96/1120552796.db2.gz BSHMMMRNEXDFGE-INIZCTEOSA-N 0 1 299.418 3.815 20 0 CHADMN COc1cccc(CNC/C=C/c2ccccc2)c1F ZINC000192682958 1120552851 /nfs/dbraw/zinc/55/28/51/1120552851.db2.gz ZRVNYUQSLAUPJK-RMKNXTFCSA-N 0 1 271.335 3.637 20 0 CHADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc2ccccc2c1 ZINC000389641855 1120556591 /nfs/dbraw/zinc/55/65/91/1120556591.db2.gz XVZXXQIDXOENFX-KURKYZTESA-N 0 1 295.382 3.525 20 0 CHADMN Cc1nc2cc(CNc3ccc4nc[nH]c4c3)ccc2o1 ZINC001167757420 1120564678 /nfs/dbraw/zinc/56/46/78/1120564678.db2.gz DWFKGQAWXZMJAN-UHFFFAOYSA-N 0 1 278.315 3.625 20 0 CHADMN Brc1ccc2c(c1)[C@@H](NCc1ccco1)CC2 ZINC000193156830 1120565613 /nfs/dbraw/zinc/56/56/13/1120565613.db2.gz VXHCOTOUTZLUIE-AWEZNQCLSA-N 0 1 292.176 3.819 20 0 CHADMN CN(Cc1ccn(C(F)F)n1)C1CCC(C)(C)CC1 ZINC000347726092 1120565868 /nfs/dbraw/zinc/56/58/68/1120565868.db2.gz RPCFMWGJOFTISM-UHFFFAOYSA-N 0 1 271.355 3.679 20 0 CHADMN Brc1ccc2c(c1)[C@H](NCc1ccco1)CC2 ZINC000193156822 1120565911 /nfs/dbraw/zinc/56/59/11/1120565911.db2.gz VXHCOTOUTZLUIE-CQSZACIVSA-N 0 1 292.176 3.819 20 0 CHADMN Cc1cccc([C@@H](NCc2cn(C)cn2)C(C)(C)C)c1 ZINC000673603492 1120570943 /nfs/dbraw/zinc/57/09/43/1120570943.db2.gz FXHHHDZTICIRHM-MRXNPFEDSA-N 0 1 271.408 3.606 20 0 CHADMN CC(C)(/C=C\Cl)NCc1cnn(Cc2ccccc2)c1 ZINC000922649307 1120572300 /nfs/dbraw/zinc/57/23/00/1120572300.db2.gz DPXYJLOQZIRFKU-HJWRWDBZSA-N 0 1 289.810 3.552 20 0 CHADMN COc1ccccc1[C@H](N[C@@H]1CC[C@H]1C)c1ccccn1 ZINC000783258878 1120575864 /nfs/dbraw/zinc/57/58/64/1120575864.db2.gz ONTOOMQSNFLSBH-SIIHOXLZSA-N 0 1 282.387 3.568 20 0 CHADMN Clc1ccccc1-c1ccc([C@@H]2COCCN2)cc1 ZINC000629691372 1128925622 /nfs/dbraw/zinc/92/56/22/1128925622.db2.gz WTUPQBBSRABVSP-INIZCTEOSA-N 0 1 273.763 3.668 20 0 CHADMN Cc1n[nH]c(C)c1CN1CC(C)(C)[C@@H]1c1ccccc1 ZINC000678213681 1120576499 /nfs/dbraw/zinc/57/64/99/1120576499.db2.gz BASPXNFVNCNRTF-INIZCTEOSA-N 0 1 269.392 3.610 20 0 CHADMN C[C@H](O)CCCNCc1c(Cl)ccc(Cl)c1Cl ZINC000227955762 1120578384 /nfs/dbraw/zinc/57/83/84/1120578384.db2.gz XENDYDWOJOOJRN-QMMMGPOBSA-N 0 1 296.625 3.897 20 0 CHADMN CC(C)c1ccc(O[C@@H](C)CNCc2nccs2)cc1 ZINC000673609113 1120579549 /nfs/dbraw/zinc/57/95/49/1120579549.db2.gz XQGXVOGZBBPXQG-ZDUSSCGKSA-N 0 1 290.432 3.824 20 0 CHADMN COc1cccc(CN2CCSCC[C@H]2C)c1Cl ZINC000660401707 1120582839 /nfs/dbraw/zinc/58/28/39/1120582839.db2.gz WULQCNYGCSGCAI-LLVKDONJSA-N 0 1 285.840 3.676 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(F)cc2)c1 ZINC000020090606 1120583334 /nfs/dbraw/zinc/58/33/34/1120583334.db2.gz HWHDNPYLIVDZHW-GFCCVEGCSA-N 0 1 286.350 3.635 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](NCC1=NOCC1)C(C)C ZINC001168732780 1120584028 /nfs/dbraw/zinc/58/40/28/1120584028.db2.gz AJYRGBCISCHLRV-INIZCTEOSA-N 0 1 286.375 3.804 20 0 CHADMN CCc1ccc2ccccc2c1CNCc1ccc(C)nn1 ZINC000922714334 1120585407 /nfs/dbraw/zinc/58/54/07/1120585407.db2.gz BUQIYWGSPOSLQM-UHFFFAOYSA-N 0 1 291.398 3.790 20 0 CHADMN FC(F)(F)c1cnc(CNCCC2CC=CC2)s1 ZINC000922733375 1120591105 /nfs/dbraw/zinc/59/11/05/1120591105.db2.gz OKYONKQZMJJKPU-UHFFFAOYSA-N 0 1 276.327 3.608 20 0 CHADMN Clc1cccc2c1C[C@H](N1CCOc3ccccc3C1)C2 ZINC001168734656 1120595572 /nfs/dbraw/zinc/59/55/72/1120595572.db2.gz JMIKMIQQMZBMJA-OAHLLOKOSA-N 0 1 299.801 3.702 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1cncc2ccccc21 ZINC000759869429 1120597421 /nfs/dbraw/zinc/59/74/21/1120597421.db2.gz ZKOYCTZOTYWVMT-UHFFFAOYSA-N 0 1 299.418 3.685 20 0 CHADMN C[C@@H](CN[C@@H]1CCCC1(F)F)c1ccc(F)cc1 ZINC000673618474 1120601320 /nfs/dbraw/zinc/60/13/20/1120601320.db2.gz IXMYWEZXJFNSKM-GXFFZTMASA-N 0 1 257.299 3.707 20 0 CHADMN CCc1nnc([C@H](C)N2C[C@H](c3ccc(C)cc3)C[C@H]2C)[nH]1 ZINC000660430488 1120602173 /nfs/dbraw/zinc/60/21/73/1120602173.db2.gz ASZNXUKDUDMNNA-IJEWVQPXSA-N 0 1 298.434 3.615 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)oc1C ZINC000282385799 1120604200 /nfs/dbraw/zinc/60/42/00/1120604200.db2.gz XEOFPTOACIZRMX-QWRGUYRKSA-N 0 1 276.384 3.550 20 0 CHADMN COC[C@H](N[C@H](C)c1cncc(C)c1)c1ccc(F)cc1 ZINC000343868081 1120607746 /nfs/dbraw/zinc/60/77/46/1120607746.db2.gz VTSOEFZVSVTUKT-DYVFJYSZSA-N 0 1 288.366 3.567 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCOC[C@@H](C2CCC2)C1 ZINC000428998574 1120608441 /nfs/dbraw/zinc/60/84/41/1120608441.db2.gz KLYUKQZDJVVAPV-JSGCOSHPSA-N 0 1 295.373 3.774 20 0 CHADMN C[C@@H]1C[C@@]1(NCc1cncc(F)c1)c1ccc(Cl)cc1 ZINC000500396632 1120609247 /nfs/dbraw/zinc/60/92/47/1120609247.db2.gz KHHGSHFXIKRDOF-BZNIZROVSA-N 0 1 290.769 3.899 20 0 CHADMN CCc1cc(OC)ccc1CNCc1ccc(C)cc1OC ZINC000500406395 1120612791 /nfs/dbraw/zinc/61/27/91/1120612791.db2.gz UMCZXXQNYMAAPS-UHFFFAOYSA-N 0 1 299.414 3.864 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCOC[C@H](C2CCC2)C1 ZINC000429009606 1120613893 /nfs/dbraw/zinc/61/38/93/1120613893.db2.gz OJBXACHBELEOOL-IUODEOHRSA-N 0 1 295.373 3.774 20 0 CHADMN COc1cc(C)c(-c2ccc([C@@H]3COCCN3)cc2)cc1C ZINC000629710492 1128928456 /nfs/dbraw/zinc/92/84/56/1128928456.db2.gz HACJUZMGKCPLFI-SFHVURJKSA-N 0 1 297.398 3.640 20 0 CHADMN CC1(c2cc(=O)n(-c3cccc(Cl)c3Cl)[nH]2)CC1 ZINC000634594794 1128928490 /nfs/dbraw/zinc/92/84/90/1128928490.db2.gz HPGOSKGPZDOMEG-UHFFFAOYSA-N 0 1 283.158 3.886 20 0 CHADMN CN(Cc1ccncc1Br)[C@H]1CCC(C)(C)C1 ZINC000625385546 1120674996 /nfs/dbraw/zinc/67/49/96/1120674996.db2.gz CWVVDYHRIOBXPH-LBPRGKRZSA-N 0 1 297.240 3.855 20 0 CHADMN Cc1ccc(F)cc1CN[C@H]1CCCc2cccnc21 ZINC000922882464 1120618999 /nfs/dbraw/zinc/61/89/99/1120618999.db2.gz RYNCRVHVTJGPKH-INIZCTEOSA-N 0 1 270.351 3.696 20 0 CHADMN Cc1cc(C)cc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)c1 ZINC000500422121 1120620435 /nfs/dbraw/zinc/62/04/35/1120620435.db2.gz PDHXCHXFEHPPDO-SFHVURJKSA-N 0 1 283.419 3.764 20 0 CHADMN CC[C@H]1C(=O)N(c2nccc3sccc32)N=C1C(C)C ZINC000634596717 1128932805 /nfs/dbraw/zinc/93/28/05/1128932805.db2.gz OICZPJIZWXABEI-SNVBAGLBSA-N 0 1 287.388 3.681 20 0 CHADMN C[N@@H+](Cc1coc(-c2ccccc2F)n1)C1CCCC1 ZINC000625058867 1120626728 /nfs/dbraw/zinc/62/67/28/1120626728.db2.gz AYRHMKSVMSOKFZ-UHFFFAOYSA-N 0 1 274.339 3.855 20 0 CHADMN CC1CCN(Cc2coc(-c3ccccc3F)n2)CC1 ZINC000625063817 1120628049 /nfs/dbraw/zinc/62/80/49/1120628049.db2.gz WLXYALVJBQSCEW-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN C[C@@H](N(C)Cc1ccncc1Br)C(C)(C)C ZINC000625079245 1120630723 /nfs/dbraw/zinc/63/07/23/1120630723.db2.gz URYNPIYYKZVURB-SNVBAGLBSA-N 0 1 285.229 3.711 20 0 CHADMN CC(C)CCCN1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000429057346 1120633003 /nfs/dbraw/zinc/63/30/03/1120633003.db2.gz ZWNVFFWVGBQBQJ-DZGCQCFKSA-N 0 1 267.438 3.946 20 0 CHADMN CS[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000392882754 1120633102 /nfs/dbraw/zinc/63/31/02/1120633102.db2.gz OVBILZRZIFYZCQ-DGCLKSJQSA-N 0 1 285.840 3.809 20 0 CHADMN Cc1cc2c(cn1)CN([C@@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168737837 1120635000 /nfs/dbraw/zinc/63/50/00/1120635000.db2.gz GJFHCSOWBUYLRS-OAHLLOKOSA-N 0 1 284.790 3.526 20 0 CHADMN CC(C)CN(Cc1noc(C2CCC2)n1)C1CCCC1 ZINC000625123907 1120638061 /nfs/dbraw/zinc/63/80/61/1120638061.db2.gz WTUZJYJPCQKMFE-UHFFFAOYSA-N 0 1 277.412 3.738 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCOc2cc(OC)ccc2C1 ZINC000660489554 1120639305 /nfs/dbraw/zinc/63/93/05/1120639305.db2.gz LIGCIHDDOBUWFL-LBPRGKRZSA-N 0 1 299.361 3.571 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1ccncc1Br ZINC000625152364 1120639675 /nfs/dbraw/zinc/63/96/75/1120639675.db2.gz OARWZTJKFLLQBD-QWRGUYRKSA-N 0 1 283.213 3.607 20 0 CHADMN COc1cc(CN2CCC3(CC3)C2)cc(C(F)(F)F)c1 ZINC001143511878 1120640594 /nfs/dbraw/zinc/64/05/94/1120640594.db2.gz PJHZFGDAHGTQSA-UHFFFAOYSA-N 0 1 285.309 3.700 20 0 CHADMN COc1ccc(/C=C/c2ccc([C@H]3COCCN3)cc2)cc1 ZINC000629730596 1128930620 /nfs/dbraw/zinc/93/06/20/1128930620.db2.gz NKEJQNRGSAVGMC-LSTKMXGYSA-N 0 1 295.382 3.527 20 0 CHADMN Fc1ccccc1-c1nc(CN2CCC3(CCC3)C2)co1 ZINC000625222123 1120649618 /nfs/dbraw/zinc/64/96/18/1120649618.db2.gz IHUFLOMTGBLUMD-UHFFFAOYSA-N 0 1 286.350 3.857 20 0 CHADMN Cc1cccnc1CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282429097 1120657148 /nfs/dbraw/zinc/65/71/48/1120657148.db2.gz KACRLUOXFCFAAG-CQSZACIVSA-N 0 1 298.352 3.945 20 0 CHADMN CC(C)CC(CC(C)C)NC(=O)c1cccc(F)c1O ZINC001125968528 1120659105 /nfs/dbraw/zinc/65/91/05/1120659105.db2.gz DNQHTWLYIWLTCI-UHFFFAOYSA-N 0 1 281.371 3.722 20 0 CHADMN Cc1cncc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000282431116 1120659802 /nfs/dbraw/zinc/65/98/02/1120659802.db2.gz KCHBLMMRTSSYGA-AWEZNQCLSA-N 0 1 298.352 3.945 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)COC2)c1cc2cnccc2o1 ZINC000657927119 1120661323 /nfs/dbraw/zinc/66/13/23/1120661323.db2.gz IUROLLNYNOPTPA-GFCCVEGCSA-N 0 1 294.354 3.709 20 0 CHADMN COc1cc(CN(C(C)C)[C@H](C)c2ccccc2)on1 ZINC000660608305 1120667383 /nfs/dbraw/zinc/66/73/83/1120667383.db2.gz MYQAINIXVQGURP-CYBMUJFWSA-N 0 1 274.364 3.655 20 0 CHADMN C[N@H+](Cc1ccncc1Br)C[C@H]1CC=CCC1 ZINC000625312515 1120667398 /nfs/dbraw/zinc/66/73/98/1120667398.db2.gz GKMFOXSCYFZQAS-LBPRGKRZSA-N 0 1 295.224 3.632 20 0 CHADMN CN(Cc1ccncc1Br)C[C@H]1CC=CCC1 ZINC000625312515 1120667401 /nfs/dbraw/zinc/66/74/01/1120667401.db2.gz GKMFOXSCYFZQAS-LBPRGKRZSA-N 0 1 295.224 3.632 20 0 CHADMN Cc1ccc(OC[C@H](C)N[C@H](C)c2nccs2)cc1 ZINC000086510199 1120667453 /nfs/dbraw/zinc/66/74/53/1120667453.db2.gz KEJUQNQWGQSCHX-QWHCGFSZSA-N 0 1 276.405 3.570 20 0 CHADMN CC(C)Nc1ccc(-c2ccc(F)c(CN(C)C)c2)cn1 ZINC000629738624 1128932225 /nfs/dbraw/zinc/93/22/25/1128932225.db2.gz QBMALCZTLWSAJW-UHFFFAOYSA-N 0 1 287.382 3.770 20 0 CHADMN COc1cc(CN[C@H](C)c2cccc(C3CC3)c2)sn1 ZINC000660645449 1120672698 /nfs/dbraw/zinc/67/26/98/1120672698.db2.gz RCOIULGAOFNQRS-LLVKDONJSA-N 0 1 288.416 3.880 20 0 CHADMN CCC[C@H](C)CCCN1CCC[C@@H]1c1nc(C)no1 ZINC000625429232 1120679636 /nfs/dbraw/zinc/67/96/36/1120679636.db2.gz UBLRQACMHHEAEO-GXTWGEPZSA-N 0 1 265.401 3.731 20 0 CHADMN Cn1cc(-c2ccc([C@H]3COCCN3)cc2)c2ccccc21 ZINC000629746181 1128932883 /nfs/dbraw/zinc/93/28/83/1128932883.db2.gz VJBQCXPMWZFLTJ-GOSISDBHSA-N 0 1 292.382 3.506 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1ccc(SC)c(Cl)c1 ZINC000673848563 1120683466 /nfs/dbraw/zinc/68/34/66/1120683466.db2.gz WFKGIPZDAGRAMN-UHFFFAOYSA-N 0 1 295.795 3.600 20 0 CHADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]C[C@H](C)C2CCCCC2)n1 ZINC000660749690 1120684624 /nfs/dbraw/zinc/68/46/24/1120684624.db2.gz NEAFKTAMNYMSEQ-LBPRGKRZSA-N 0 1 291.439 3.532 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc3ccccc3n2)cc1C ZINC000660756510 1120685320 /nfs/dbraw/zinc/68/53/20/1120685320.db2.gz XBUDXYKYLDHAHV-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN Cc1cccc([C@H]2CCCN2C(=O)c2cc(C(C)C)[nH]n2)c1 ZINC000132519127 1120692212 /nfs/dbraw/zinc/69/22/12/1120692212.db2.gz RRUJDAZSJTVZGO-QGZVFWFLSA-N 0 1 297.402 3.819 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@H]1CCc2ccc(F)cc21 ZINC000673931227 1120693687 /nfs/dbraw/zinc/69/36/87/1120693687.db2.gz VKEQGWBOOSPVMX-VFZGTOFNSA-N 0 1 274.339 3.769 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)N(C)Cc1cn[nH]c1 ZINC000673926955 1120695019 /nfs/dbraw/zinc/69/50/19/1120695019.db2.gz CLNIMTJUSSCFOM-CQSZACIVSA-N 0 1 263.772 3.646 20 0 CHADMN CC(C)O[C@H]1CCCN(Cc2nsc3ccccc32)C1 ZINC000660912190 1120699812 /nfs/dbraw/zinc/69/98/12/1120699812.db2.gz LKWSWMCKODNIGK-ZDUSSCGKSA-N 0 1 290.432 3.686 20 0 CHADMN C[C@H](NCc1cccc(OC(F)F)c1)c1ccccn1 ZINC000057958915 1120700564 /nfs/dbraw/zinc/70/05/64/1120700564.db2.gz IGNNLPCAAAWAKT-NSHDSACASA-N 0 1 278.302 3.534 20 0 CHADMN Cc1nc(CN2CCc3ccc(F)cc3[C@@H](C)C2)c(C)o1 ZINC000660922635 1120701591 /nfs/dbraw/zinc/70/15/91/1120701591.db2.gz KAACAYKYZBKYHE-NSHDSACASA-N 0 1 288.366 3.592 20 0 CHADMN c1coc([C@H](Cc2ccccc2)NCCC2CCC2)n1 ZINC000660925625 1120702954 /nfs/dbraw/zinc/70/29/54/1120702954.db2.gz DHXLYLZNZALSMJ-INIZCTEOSA-N 0 1 270.376 3.738 20 0 CHADMN Cc1cccc(NC(=O)[C@H](C)N2C[C@@H]3CCCC[C@@H]32)c1C ZINC000660927899 1120703846 /nfs/dbraw/zinc/70/38/46/1120703846.db2.gz IKIPREZGKRVUOP-ZOBUZTSGSA-N 0 1 286.419 3.505 20 0 CHADMN CCO[C@H](C)c1nc(CN(CC)[C@@H](C)CC)cs1 ZINC000661105176 1120718764 /nfs/dbraw/zinc/71/87/64/1120718764.db2.gz DMWOWSWGDVUZQU-NWDGAFQWSA-N 0 1 270.442 3.861 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000044621053 1120725713 /nfs/dbraw/zinc/72/57/13/1120725713.db2.gz LWRCQDSTXAEFEE-QGZVFWFLSA-N 0 1 283.371 3.649 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1nc(Cc2ccccc2)no1 ZINC000661233814 1120741273 /nfs/dbraw/zinc/74/12/73/1120741273.db2.gz IZROUNYEKIKVKT-CYBMUJFWSA-N 0 1 287.407 3.575 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1nc(-c2ccccc2)no1 ZINC000661236197 1120743048 /nfs/dbraw/zinc/74/30/48/1120743048.db2.gz SUQGGGPZJFIXNT-LBPRGKRZSA-N 0 1 273.380 3.651 20 0 CHADMN CC[C@]1(C)CCC[C@@H]1N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000651784058 1120744822 /nfs/dbraw/zinc/74/48/22/1120744822.db2.gz AFWNNUCGECCBFM-BFQNTYOBSA-N 0 1 279.428 3.987 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N(CC1CCCCC1)C1CC1 ZINC000343875298 1120748736 /nfs/dbraw/zinc/74/87/36/1120748736.db2.gz KDHQMMSEKKFOSJ-UHFFFAOYSA-N 0 1 297.402 3.748 20 0 CHADMN CCCc1cc(C(=O)N(C)[C@H](C)c2ccc(C)cc2)n[nH]1 ZINC000045418149 1120757994 /nfs/dbraw/zinc/75/79/94/1120757994.db2.gz SZDJKDMLKWSIAT-CYBMUJFWSA-N 0 1 285.391 3.504 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1ccc(C)nc1C)CC2 ZINC000661371951 1120758595 /nfs/dbraw/zinc/75/85/95/1120758595.db2.gz TZDCWUTZSWFUHC-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN Cc1ccccc1C1(NCc2cnc(C3CC3)nc2)CCC1 ZINC000651862311 1120764569 /nfs/dbraw/zinc/76/45/69/1120764569.db2.gz KTZBOIDHXUOZDJ-UHFFFAOYSA-N 0 1 293.414 3.831 20 0 CHADMN CC(C)CC[N@@H+](Cc1nc(-c2ccccc2)no1)C1CC1 ZINC000045751750 1120768440 /nfs/dbraw/zinc/76/84/40/1120768440.db2.gz ISXACODHDBRIBK-UHFFFAOYSA-N 0 1 285.391 3.747 20 0 CHADMN CC(C)CCN(Cc1nc(-c2ccccc2)no1)C1CC1 ZINC000045751750 1120768443 /nfs/dbraw/zinc/76/84/43/1120768443.db2.gz ISXACODHDBRIBK-UHFFFAOYSA-N 0 1 285.391 3.747 20 0 CHADMN CC[C@@H](OCCNCc1c(C)noc1C)c1ccccc1 ZINC000651907902 1120775161 /nfs/dbraw/zinc/77/51/61/1120775161.db2.gz KLEYZZYSUWAVLI-QGZVFWFLSA-N 0 1 288.391 3.549 20 0 CHADMN CC[C@@H]1CO[C@@H](CC)CN1Cc1ccc2cnccc2c1 ZINC000651913525 1120777470 /nfs/dbraw/zinc/77/74/70/1120777470.db2.gz ZEVJFZPVZLQKLT-MSOLQXFVSA-N 0 1 284.403 3.624 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)[C@@H]2CCCC[C@@H]21 ZINC000473117309 1120781112 /nfs/dbraw/zinc/78/11/12/1120781112.db2.gz BLUBSHIZZQBMRU-GMTAPVOTSA-N 0 1 270.829 3.807 20 0 CHADMN C[C@@H]1CN(Cc2ncc(Cl)s2)[C@@H]2CCCC[C@@H]21 ZINC000473117309 1120781115 /nfs/dbraw/zinc/78/11/15/1120781115.db2.gz BLUBSHIZZQBMRU-GMTAPVOTSA-N 0 1 270.829 3.807 20 0 CHADMN c1nc(CN2CC[C@H](C3CCCCC3)C2)oc1C1CC1 ZINC000661578682 1120782096 /nfs/dbraw/zinc/78/20/96/1120782096.db2.gz RONLABABUOOIAJ-HNNXBMFYSA-N 0 1 274.408 3.954 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CC[C@@H](C2CCCCC2)C1 ZINC000661582760 1120783068 /nfs/dbraw/zinc/78/30/68/1120783068.db2.gz DTZSLXUULYAVIY-IUODEOHRSA-N 0 1 289.423 3.910 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CC[C@H](C2CCCCC2)C1 ZINC000661582758 1120783146 /nfs/dbraw/zinc/78/31/46/1120783146.db2.gz DTZSLXUULYAVIY-DOMZBBRYSA-N 0 1 289.423 3.910 20 0 CHADMN C/C=C/C[C@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000629876302 1128940517 /nfs/dbraw/zinc/94/05/17/1128940517.db2.gz GZBHCKPMWUXKBY-JDGPPOGSSA-N 0 1 293.794 3.864 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@H]1C[C@@H]1C1CCCC1 ZINC000652163430 1120793769 /nfs/dbraw/zinc/79/37/69/1120793769.db2.gz NXQYJLDXDRYDLY-ZJUUUORDSA-N 0 1 297.757 3.950 20 0 CHADMN FCC[C@H]1CCCN(Cc2cn3cc(Cl)ccc3n2)C1 ZINC000661693940 1120794740 /nfs/dbraw/zinc/79/47/40/1120794740.db2.gz COCBFGSISJFYOV-GFCCVEGCSA-N 0 1 295.789 3.559 20 0 CHADMN FCC[C@@H]1CCCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000661699207 1120796918 /nfs/dbraw/zinc/79/69/18/1120796918.db2.gz WVILUNZWZBCSCA-AWEZNQCLSA-N 0 1 288.366 3.913 20 0 CHADMN Cc1noc([C@@H](C)N2CCC[C@H](c3ccccc3)CC2)n1 ZINC000066898076 1120802504 /nfs/dbraw/zinc/80/25/04/1120802504.db2.gz MYMRYWRUTZHQCC-CJNGLKHVSA-N 0 1 285.391 3.709 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN1CCN[C@@H](C(F)(F)F)C1 ZINC001236981057 1128943246 /nfs/dbraw/zinc/94/32/46/1128943246.db2.gz KSRRGADWNVNGII-ZIAGYGMSSA-N 0 1 292.389 3.595 20 0 CHADMN FC(F)(F)c1nc(CNC[C@@H]2CCCCS2)cs1 ZINC000893511213 1120814347 /nfs/dbraw/zinc/81/43/47/1120814347.db2.gz ASVVMYRCIHYHIO-VIFPVBQESA-N 0 1 296.383 3.537 20 0 CHADMN Cc1ccc(CN(Cc2ccccc2F)CC2CC2)nc1 ZINC000661794913 1120815162 /nfs/dbraw/zinc/81/51/62/1120815162.db2.gz XCSKVGROKUWFRS-UHFFFAOYSA-N 0 1 284.378 3.941 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccccc1)c1cc2ccccc2o1 ZINC000062999606 1120820223 /nfs/dbraw/zinc/82/02/23/1120820223.db2.gz DXDYAHJRHGBBSE-BBRMVZONSA-N 0 1 281.355 3.817 20 0 CHADMN CC(C)C(C[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-])C(C)C ZINC000313946233 1120821617 /nfs/dbraw/zinc/82/16/17/1120821617.db2.gz JIEAFHOTWKQIRG-QGZVFWFLSA-N 0 1 289.419 3.599 20 0 CHADMN CC(C)C(C[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-])C(C)C ZINC000313946231 1120822848 /nfs/dbraw/zinc/82/28/48/1120822848.db2.gz JIEAFHOTWKQIRG-KRWDZBQOSA-N 0 1 289.419 3.599 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000661856956 1120826513 /nfs/dbraw/zinc/82/65/13/1120826513.db2.gz MBYHPVSKRMXJOV-GRYCIOLGSA-N 0 1 269.335 3.525 20 0 CHADMN Cc1cc(Cl)cc(CNC(C)(C)c2nccs2)c1O ZINC000182213591 1128942851 /nfs/dbraw/zinc/94/28/51/1128942851.db2.gz BURWGAKISFEAAQ-UHFFFAOYSA-N 0 1 296.823 3.835 20 0 CHADMN C[N@@H+](Cc1cn([C@@H]2CCC(C)(C)C2)nn1)C1CCCCC1 ZINC000629942115 1128942909 /nfs/dbraw/zinc/94/29/09/1128942909.db2.gz GHIMEBREHDCWJA-MRXNPFEDSA-N 0 1 290.455 3.794 20 0 CHADMN CN(Cc1cn([C@@H]2CCC(C)(C)C2)nn1)C1CCCCC1 ZINC000629942115 1128942910 /nfs/dbraw/zinc/94/29/10/1128942910.db2.gz GHIMEBREHDCWJA-MRXNPFEDSA-N 0 1 290.455 3.794 20 0 CHADMN Clc1ccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)nc1 ZINC000661876277 1120832924 /nfs/dbraw/zinc/83/29/24/1120832924.db2.gz UPUHFVSQLCCADN-CZUORRHYSA-N 0 1 294.826 3.516 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000511911846 1120843403 /nfs/dbraw/zinc/84/34/03/1120843403.db2.gz RABIWHSYIOAFFA-SECBINFHSA-N 0 1 261.262 3.686 20 0 CHADMN C[C@H](c1cccnc1)N(C)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000893541907 1120857746 /nfs/dbraw/zinc/85/77/46/1120857746.db2.gz ZQPOOOJXVCRGRJ-ZIAGYGMSSA-N 0 1 282.387 3.598 20 0 CHADMN O=C([O-])CCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000652416159 1120859523 /nfs/dbraw/zinc/85/95/23/1120859523.db2.gz LOGRFSVBWOZYMR-BBWFWOEESA-N 0 1 287.403 3.509 20 0 CHADMN Fc1ccccc1CNCc1ccccc1C1CC1 ZINC000094357546 1120861821 /nfs/dbraw/zinc/86/18/21/1120861821.db2.gz LXESDYKTBWUPQB-UHFFFAOYSA-N 0 1 255.336 3.993 20 0 CHADMN C(c1noc2c1CCCC2)N1CCC[C@@H](C2CCC2)C1 ZINC000662042477 1120863302 /nfs/dbraw/zinc/86/33/02/1120863302.db2.gz DDHXHUSQNYMENR-CQSZACIVSA-N 0 1 274.408 3.566 20 0 CHADMN CC(C)CC1(N[C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000662068463 1120869732 /nfs/dbraw/zinc/86/97/32/1120869732.db2.gz HAMSGHPICRANJQ-CYBMUJFWSA-N 0 1 285.391 3.966 20 0 CHADMN CC(C)(C)C[C@@H](NCc1cnccn1)c1ccccc1 ZINC000054766320 1120870323 /nfs/dbraw/zinc/87/03/23/1120870323.db2.gz WJUVSDFDIMLWKS-MRXNPFEDSA-N 0 1 269.392 3.744 20 0 CHADMN Cc1ccc(SCC[N@@H+](CCC(=O)[O-])C(C)C)cc1C ZINC000652478593 1120870414 /nfs/dbraw/zinc/87/04/14/1120870414.db2.gz MAKPADBFMHHFDH-UHFFFAOYSA-N 0 1 295.448 3.581 20 0 CHADMN COc1c(F)cccc1CN1CCC(F)(F)C(C)(C)C1 ZINC001143521903 1120879583 /nfs/dbraw/zinc/87/95/83/1120879583.db2.gz LGECDBDZPUBACJ-UHFFFAOYSA-N 0 1 287.325 3.702 20 0 CHADMN COc1ccc(C)cc1CNCc1cc2ccccc2[nH]1 ZINC000058473961 1120883422 /nfs/dbraw/zinc/88/34/22/1120883422.db2.gz URBXLSUCMBXJFJ-UHFFFAOYSA-N 0 1 280.371 3.775 20 0 CHADMN C[C@@H](OCc1cnc[nH]1)c1c(F)cccc1Br ZINC001223008496 1120885061 /nfs/dbraw/zinc/88/50/61/1120885061.db2.gz ZPMPAWWHDIIEKX-MRVPVSSYSA-N 0 1 299.143 3.589 20 0 CHADMN CCCCC[C@@H]1CCCCN1Cc1nnc(C2CC2)o1 ZINC000662154594 1120886737 /nfs/dbraw/zinc/88/67/37/1120886737.db2.gz JVWSZQWNVXMULU-CQSZACIVSA-N 0 1 277.412 3.882 20 0 CHADMN CCCCC[C@H]1CCCCN1Cc1ncc(C)o1 ZINC000662157070 1120887839 /nfs/dbraw/zinc/88/78/39/1120887839.db2.gz STNLHZRTDTZYGG-AWEZNQCLSA-N 0 1 250.386 3.918 20 0 CHADMN CC[C@H](N[C@@H](CO)c1ccc(F)cc1F)c1ccccc1 ZINC000662163601 1120889698 /nfs/dbraw/zinc/88/96/98/1120889698.db2.gz XPYJHCNZHBZWJU-IRXDYDNUSA-N 0 1 291.341 3.739 20 0 CHADMN CN(Cc1noc2c1CCCC2)C[C@@H]1CCc2ccccc21 ZINC000662197195 1120896246 /nfs/dbraw/zinc/89/62/46/1120896246.db2.gz ADVQLIUEYYPOAW-HNNXBMFYSA-N 0 1 296.414 3.715 20 0 CHADMN CC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000388627174 1120899673 /nfs/dbraw/zinc/89/96/73/1120899673.db2.gz HNJDRHOZBLBHLX-JQWIXIFHSA-N 0 1 253.773 3.714 20 0 CHADMN Cc1cnc(CN2CCC[C@H](C3CCCCC3)C2)nc1 ZINC000662201243 1120898745 /nfs/dbraw/zinc/89/87/45/1120898745.db2.gz LDRNTUQUUDXTAQ-INIZCTEOSA-N 0 1 273.424 3.577 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H]2[C@@H]3CCCCCC[C@@H]32)n1 ZINC000663250346 1120900739 /nfs/dbraw/zinc/90/07/39/1120900739.db2.gz DPEKQGQBQZXRDI-RQJABVFESA-N 0 1 277.412 3.799 20 0 CHADMN CC[N@@H+](CC1CCC(c2ccccc2)CC1)[C@H](C)C(=O)[O-] ZINC000662214196 1120902892 /nfs/dbraw/zinc/90/28/92/1120902892.db2.gz DGGPXCPYWUPLBQ-HPUBIQBYSA-N 0 1 289.419 3.755 20 0 CHADMN Fc1cc2cccnc2c(CNc2ccc3c[nH]nc3c2)c1 ZINC000630066828 1128948085 /nfs/dbraw/zinc/94/80/85/1128948085.db2.gz DYWWXNORVHWHLO-UHFFFAOYSA-N 0 1 292.317 3.862 20 0 CHADMN Cc1scc(CN2C[C@@H](C)OCC23CCC3)c1C ZINC000630072945 1128948585 /nfs/dbraw/zinc/94/85/85/1128948585.db2.gz NTOMJHAVPWDASY-LLVKDONJSA-N 0 1 265.422 3.508 20 0 CHADMN CC(C)O[C@@H](C[N@@H+](C)CC1=CCSC1)c1ccccc1 ZINC000662267045 1120913378 /nfs/dbraw/zinc/91/33/78/1120913378.db2.gz QABFMCRFGLZUPA-KRWDZBQOSA-N 0 1 291.460 3.758 20 0 CHADMN Cc1ccc(CN2CCC(C)(F)CC2)c(Cl)c1 ZINC000630072818 1128948890 /nfs/dbraw/zinc/94/88/90/1128948890.db2.gz JYRFKVFFMSBAFZ-UHFFFAOYSA-N 0 1 255.764 3.972 20 0 CHADMN CS[C@@H](C)CN[C@H](C)c1csc(C(C)C)n1 ZINC000186429597 1120919826 /nfs/dbraw/zinc/91/98/26/1120919826.db2.gz KXOVSFZSZPFQDQ-VHSXEESVSA-N 0 1 258.456 3.669 20 0 CHADMN Cc1nc([C@H](C)N(C)Cc2ccc(Cl)cc2Cl)n[nH]1 ZINC000662289740 1120919871 /nfs/dbraw/zinc/91/98/71/1120919871.db2.gz POARFPDAGVKTNW-QMMMGPOBSA-N 0 1 299.205 3.613 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccoc1C(=O)[O-] ZINC000062015252 1120919932 /nfs/dbraw/zinc/91/99/32/1120919932.db2.gz ZTNKUCIWZATUCB-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN CC(C)c1cccc(C[N@@H+]([C@@H](C)C(=O)[O-])C2CCC2)c1 ZINC000663316169 1120922289 /nfs/dbraw/zinc/92/22/89/1120922289.db2.gz BYDPBLCLSLEFBB-ZDUSSCGKSA-N 0 1 275.392 3.638 20 0 CHADMN C[N@H+](Cc1cccc(C(=O)[O-])c1Cl)C[C@@H]1CC1(C)C ZINC000663316236 1120922794 /nfs/dbraw/zinc/92/27/94/1120922794.db2.gz CMHKJJSPIXLDMH-NSHDSACASA-N 0 1 281.783 3.516 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1csc(C2CC2)n1 ZINC000161640784 1120923154 /nfs/dbraw/zinc/92/31/54/1120923154.db2.gz YUQMTDOPPYYUHL-QWRGUYRKSA-N 0 1 250.411 3.783 20 0 CHADMN C[N@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)C[C@H]1CC1(C)C ZINC000663316993 1120923594 /nfs/dbraw/zinc/92/35/94/1120923594.db2.gz JRKVQZRPUZATEJ-LLVKDONJSA-N 0 1 281.783 3.516 20 0 CHADMN CCOc1cccc(CNCc2cc(F)ccc2OC)c1 ZINC000236944735 1120923609 /nfs/dbraw/zinc/92/36/09/1120923609.db2.gz UDVKYPCZRTUMON-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN Cc1ccnc(CN2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000643253786 1120925562 /nfs/dbraw/zinc/92/55/62/1120925562.db2.gz IQWLOEVHHBJCFZ-LBPRGKRZSA-N 0 1 272.314 3.554 20 0 CHADMN CC1(C)C[C@@]1(NCc1cncs1)c1ccccc1 ZINC000662339985 1120927328 /nfs/dbraw/zinc/92/73/28/1120927328.db2.gz GKQJSWQCSWWWQE-OAHLLOKOSA-N 0 1 258.390 3.558 20 0 CHADMN Cc1ncsc1CN[C@]1(c2ccccc2)CC1(C)C ZINC000662340480 1120928635 /nfs/dbraw/zinc/92/86/35/1120928635.db2.gz KXRSFJOWAXXXLV-INIZCTEOSA-N 0 1 272.417 3.867 20 0 CHADMN C[C@@H]1CN(CC2CCC(F)(F)CC2)C[C@@](C)(C(F)F)O1 ZINC000662358238 1120930722 /nfs/dbraw/zinc/93/07/22/1120930722.db2.gz LQKBMOPXKSJLIH-MFKMUULPSA-N 0 1 297.336 3.556 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN(C)C[C@H]1CC1(C)C ZINC000662347912 1120929375 /nfs/dbraw/zinc/92/93/75/1120929375.db2.gz LONPTMDADWJAIT-CQSZACIVSA-N 0 1 288.435 3.726 20 0 CHADMN C[C@@H]1CN(CC2CCC(F)(F)CC2)C[C@](C)(C(F)F)O1 ZINC000662358239 1120930988 /nfs/dbraw/zinc/93/09/88/1120930988.db2.gz LQKBMOPXKSJLIH-ZWNOBZJWSA-N 0 1 297.336 3.556 20 0 CHADMN Oc1cccc2c1CCC[C@@H]2NCc1ccc(Cl)nc1 ZINC000191662060 1128950340 /nfs/dbraw/zinc/95/03/40/1128950340.db2.gz REIXJHZZYTWGSH-AWEZNQCLSA-N 0 1 288.778 3.608 20 0 CHADMN c1sc(C2CC2)nc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000162179574 1120936392 /nfs/dbraw/zinc/93/63/92/1120936392.db2.gz IDDWBIOXLNGKAZ-BETUJISGSA-N 0 1 262.422 3.643 20 0 CHADMN CC[C@H](C(=O)O[C@@H](C)c1ccccc1F)N(CC)CC ZINC000779451908 1128950732 /nfs/dbraw/zinc/95/07/32/1128950732.db2.gz RPNZFDFLUPNVNB-SWLSCSKDSA-N 0 1 281.371 3.550 20 0 CHADMN CC[C@@H](C(=O)O[C@H](C)c1ccccc1F)N(CC)CC ZINC000779451733 1128950800 /nfs/dbraw/zinc/95/08/00/1128950800.db2.gz RPNZFDFLUPNVNB-DOMZBBRYSA-N 0 1 281.371 3.550 20 0 CHADMN CC(C)[C@H]1N(Cc2nc3c(s2)CCC3)CC12CCC2 ZINC000644835346 1120944708 /nfs/dbraw/zinc/94/47/08/1120944708.db2.gz MSSTXGMZEYPBNE-OAHLLOKOSA-N 0 1 276.449 3.642 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H](C)C2CCCC2)c1 ZINC000643305149 1120948721 /nfs/dbraw/zinc/94/87/21/1120948721.db2.gz NIYPZCFUEHCQLU-LLVKDONJSA-N 0 1 289.375 3.750 20 0 CHADMN C[C@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000511971033 1120949250 /nfs/dbraw/zinc/94/92/50/1120949250.db2.gz FQHFLYYESGNZGP-VIFPVBQESA-N 0 1 261.262 3.686 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCCC[C@H]2CC(C)C)c1 ZINC000343909779 1120957447 /nfs/dbraw/zinc/95/74/47/1120957447.db2.gz BFQVNMIDLCOUQY-HNNXBMFYSA-N 0 1 299.418 3.912 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)cc(C)c1 ZINC000069130948 1120957456 /nfs/dbraw/zinc/95/74/56/1120957456.db2.gz YXXDJTSCWTVRSC-MRXNPFEDSA-N 0 1 274.408 3.506 20 0 CHADMN CC[C@@H]1CCCCN1CC(=O)Nc1cc(C)cc(C)c1 ZINC000069130948 1120957463 /nfs/dbraw/zinc/95/74/63/1120957463.db2.gz YXXDJTSCWTVRSC-MRXNPFEDSA-N 0 1 274.408 3.506 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C3CCC3)cc2)C[C@@H](C)O1 ZINC000350122236 1120962290 /nfs/dbraw/zinc/96/22/90/1120962290.db2.gz MAJJHRXULIUQSG-ZIAGYGMSSA-N 0 1 259.393 3.563 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccncc2Cl)c(C)c1 ZINC000643347195 1120971040 /nfs/dbraw/zinc/97/10/40/1120971040.db2.gz WAAONLLCSHRPGQ-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Clc1cscc1CN1CCOC[C@@H](C2CCC2)C1 ZINC000644842971 1120971787 /nfs/dbraw/zinc/97/17/87/1120971787.db2.gz BUQWTOVRCBLJHE-LBPRGKRZSA-N 0 1 285.840 3.650 20 0 CHADMN Cc1ccc(-c2nc(CN3CCC[C@@H](C)C3)co2)cc1 ZINC000043562760 1120972407 /nfs/dbraw/zinc/97/24/07/1120972407.db2.gz RJYJOTCIFROPFA-CQSZACIVSA-N 0 1 270.376 3.882 20 0 CHADMN CC(C)CCOCCN[C@H](C)c1nc2c(s1)CCCC2 ZINC000093403174 1128953604 /nfs/dbraw/zinc/95/36/04/1128953604.db2.gz CALMVDMFPDUPNL-CYBMUJFWSA-N 0 1 296.480 3.735 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000343938660 1120979673 /nfs/dbraw/zinc/97/96/73/1120979673.db2.gz GIHNMZSGASSFRY-VXGBXAGGSA-N 0 1 290.382 3.514 20 0 CHADMN Cn1cc(Nc2ccnn2-c2ccncc2)c2ccccc21 ZINC001203421220 1120992000 /nfs/dbraw/zinc/99/20/00/1120992000.db2.gz OXQAWNMYSDEXPZ-UHFFFAOYSA-N 0 1 289.342 3.503 20 0 CHADMN Cc1cc(Cl)ccc1CN[C@H](C)c1ccccn1 ZINC000219274029 1120994903 /nfs/dbraw/zinc/99/49/03/1120994903.db2.gz GBFDSSYJSAOEKU-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN CC(C)(C)c1ccccc1NC(=O)[C@@H](N)c1ccccc1 ZINC000057690165 1120996876 /nfs/dbraw/zinc/99/68/76/1120996876.db2.gz HYFGJJXBPBZBQS-INIZCTEOSA-N 0 1 282.387 3.623 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1CCC([C@H](C)O)CC1 ZINC000304012593 1120999637 /nfs/dbraw/zinc/99/96/37/1120999637.db2.gz BUWPDQCYFPOLOL-MNOVXSKESA-N 0 1 285.790 3.633 20 0 CHADMN CCc1ccc(CN(Cc2cncc(OC)c2)C2CC2)cc1 ZINC000343970418 1121007490 /nfs/dbraw/zinc/00/74/90/1121007490.db2.gz IMKMHWVQEUYNSR-UHFFFAOYSA-N 0 1 296.414 3.817 20 0 CHADMN C1=CCC(CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)C1 ZINC000660554009 1121013954 /nfs/dbraw/zinc/01/39/54/1121013954.db2.gz YCCDWQMYDPXGEB-OAHLLOKOSA-N 0 1 287.407 3.830 20 0 CHADMN CC(C)c1cccc(CN2CCOC3(CCC3)C2)c1 ZINC001307586196 1121022139 /nfs/dbraw/zinc/02/21/39/1121022139.db2.gz POQOAAJGDIOWSZ-UHFFFAOYSA-N 0 1 259.393 3.565 20 0 CHADMN Cc1ccc(NC(=O)CN(C)[C@@H](C)c2ccccc2)cc1 ZINC000007016581 1121023870 /nfs/dbraw/zinc/02/38/70/1121023870.db2.gz JKZJQRGDIVISGN-HNNXBMFYSA-N 0 1 282.387 3.627 20 0 CHADMN Cc1nc(CN2CC[C@@H](C(C)(C)C)C[C@@H]2C)c(C)o1 ZINC000660557912 1121029519 /nfs/dbraw/zinc/02/95/19/1121029519.db2.gz OHPGCVZEARZWNS-SMDDNHRTSA-N 0 1 264.413 3.938 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000070214600 1128957552 /nfs/dbraw/zinc/95/75/52/1128957552.db2.gz VTNRUVYISZDMSH-UHFFFAOYSA-N 0 1 277.327 3.637 20 0 CHADMN CC(C)=CC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000074052580 1121036649 /nfs/dbraw/zinc/03/66/49/1121036649.db2.gz DRJBFJVILZXVIO-UHFFFAOYSA-N 0 1 292.342 3.530 20 0 CHADMN CCC(C)(C)c1ccc(CNCc2c(C)cnn2C)cc1 ZINC000512045842 1121036918 /nfs/dbraw/zinc/03/69/18/1121036918.db2.gz OBIYICVOHDSYJR-UHFFFAOYSA-N 0 1 285.435 3.706 20 0 CHADMN Cc1nn(C)c(C)c1CN1CC(C)(C)[C@@H]1c1ccccc1 ZINC000674010328 1121038988 /nfs/dbraw/zinc/03/89/88/1121038988.db2.gz PWXIFPSTNANGRG-KRWDZBQOSA-N 0 1 283.419 3.620 20 0 CHADMN Cc1ccc(F)cc1Nc1ccc(N2CCN(C)CC2)cc1 ZINC001174815401 1121043711 /nfs/dbraw/zinc/04/37/11/1121043711.db2.gz NRFXCIRCKBDACW-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN COc1ccc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)cc1F ZINC000625651065 1121045669 /nfs/dbraw/zinc/04/56/69/1121045669.db2.gz YXJNQSMESKZIKT-GHMZBOCLSA-N 0 1 287.325 3.557 20 0 CHADMN COc1ccc(Nc2cnc3cccc(C)n23)cc1C ZINC001174828784 1121046710 /nfs/dbraw/zinc/04/67/10/1121046710.db2.gz SIUZQHXHRJPPNP-UHFFFAOYSA-N 0 1 267.332 3.703 20 0 CHADMN Fc1ccc([C@@H]2CCCN(Cc3cncs3)C2)cc1F ZINC000625656107 1121047718 /nfs/dbraw/zinc/04/77/18/1121047718.db2.gz SNRWDNRISOLZGH-GFCCVEGCSA-N 0 1 294.370 3.801 20 0 CHADMN C[C@@H](N[C@H]1CCCc2nn(C)cc21)c1csc(Cl)c1 ZINC000282508977 1121052411 /nfs/dbraw/zinc/05/24/11/1121052411.db2.gz SPKLPANDNDHCAC-SKDRFNHKSA-N 0 1 295.839 3.863 20 0 CHADMN Cc1ccccc1OCCNCc1c(F)cccc1Cl ZINC000032156899 1121054999 /nfs/dbraw/zinc/05/49/99/1121054999.db2.gz AUFZEZOVLVQCBM-UHFFFAOYSA-N 0 1 293.769 3.956 20 0 CHADMN Cc1ccc(CN(Cc2cc3n(n2)CCC3)C(C)(C)C)cc1 ZINC000625696676 1121057274 /nfs/dbraw/zinc/05/72/74/1121057274.db2.gz HEVVZNOOOKWGAC-UHFFFAOYSA-N 0 1 297.446 3.938 20 0 CHADMN CC(C)c1noc([C@@H](C)N2C[C@@H](C)CC(C)(C)C2)n1 ZINC000344033931 1121060212 /nfs/dbraw/zinc/06/02/12/1121060212.db2.gz GFRRTTQUKREODW-NWDGAFQWSA-N 0 1 265.401 3.622 20 0 CHADMN Oc1cccc(Nc2ccncc2Oc2ccccc2)c1 ZINC001174887361 1121061927 /nfs/dbraw/zinc/06/19/27/1121061927.db2.gz PYYZUUKLQBHOCU-UHFFFAOYSA-N 0 1 278.311 3.745 20 0 CHADMN CC(C)CCO[C@H]1CCN(Cc2cnc(C3CC3)s2)C1 ZINC000093476291 1128959749 /nfs/dbraw/zinc/95/97/49/1128959749.db2.gz ULFWEWFAVQPOCS-AWEZNQCLSA-N 0 1 294.464 3.658 20 0 CHADMN C[C@@H]1COC2(CCCC2)CN1Cc1cc2ccccc2o1 ZINC001174854581 1121064840 /nfs/dbraw/zinc/06/48/40/1121064840.db2.gz SSYVHBSEPVENOE-CQSZACIVSA-N 0 1 285.387 3.966 20 0 CHADMN C[C@@H]1COC2(CCCC2)CN1CCOC1CCCCCC1 ZINC001174852397 1121066347 /nfs/dbraw/zinc/06/63/47/1121066347.db2.gz ASAYMCBSLWMJST-MRXNPFEDSA-N 0 1 295.467 3.759 20 0 CHADMN CCN1C[C@@H](C)N(C(=O)CCCCC(C)(C)C)C[C@@H]1C ZINC001127684118 1128960487 /nfs/dbraw/zinc/96/04/87/1128960487.db2.gz QGPCCOUJQBMPHT-LSDHHAIUSA-N 0 1 282.472 3.534 20 0 CHADMN CCc1c2ccccc2oc1[C@@H](C)NCc1c[nH]nc1C ZINC000038011125 1121093539 /nfs/dbraw/zinc/09/35/39/1121093539.db2.gz LNMWIKJZTCXJIO-GFCCVEGCSA-N 0 1 283.375 3.878 20 0 CHADMN Cc1n[nH]cc1CN[C@H](C)c1sc(C(C)(C)C)nc1C ZINC000038011579 1121094225 /nfs/dbraw/zinc/09/42/25/1121094225.db2.gz AFZZPFWRKUSYKG-SNVBAGLBSA-N 0 1 292.452 3.631 20 0 CHADMN COCc1cccc(CN[C@H](C)c2ccccc2OC)c1 ZINC000038010591 1121094550 /nfs/dbraw/zinc/09/45/50/1121094550.db2.gz VMFVLJRKYGMOCE-CQSZACIVSA-N 0 1 285.387 3.692 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cn3ccccc3n2)cc1 ZINC000037977769 1121095515 /nfs/dbraw/zinc/09/55/15/1121095515.db2.gz OEIMHWAHTGTFKW-CQSZACIVSA-N 0 1 279.387 3.748 20 0 CHADMN CCc1ccc([C@H](C)NCc2cn3ccccc3n2)cc1 ZINC000037977770 1121095707 /nfs/dbraw/zinc/09/57/07/1121095707.db2.gz OEIMHWAHTGTFKW-AWEZNQCLSA-N 0 1 279.387 3.748 20 0 CHADMN CC(C)c1nnc(C[N@H+]2CCC[C@H]2CCc2ccccc2)o1 ZINC000171145019 1121096132 /nfs/dbraw/zinc/09/61/32/1121096132.db2.gz XGDSHLNJTCAAOA-INIZCTEOSA-N 0 1 299.418 3.790 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@H]2CCc2ccccc2)o1 ZINC000171145019 1121096138 /nfs/dbraw/zinc/09/61/38/1121096138.db2.gz XGDSHLNJTCAAOA-INIZCTEOSA-N 0 1 299.418 3.790 20 0 CHADMN CC(C)c1nnc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)o1 ZINC000171145015 1121097053 /nfs/dbraw/zinc/09/70/53/1121097053.db2.gz XGDSHLNJTCAAOA-MRXNPFEDSA-N 0 1 299.418 3.790 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@@H]2CCc2ccccc2)o1 ZINC000171145015 1121097061 /nfs/dbraw/zinc/09/70/61/1121097061.db2.gz XGDSHLNJTCAAOA-MRXNPFEDSA-N 0 1 299.418 3.790 20 0 CHADMN Cc1cnc(CN(C)C2CCC(C(F)(F)F)CC2)o1 ZINC000344137746 1121101312 /nfs/dbraw/zinc/10/13/12/1121101312.db2.gz WSEVAPJNBSWQKA-UHFFFAOYSA-N 0 1 276.302 3.536 20 0 CHADMN CC(C)[C@@H]1CN(C(=O)c2cccc(F)c2O)c2ccccc21 ZINC001128666143 1121101023 /nfs/dbraw/zinc/10/10/23/1121101023.db2.gz LLSKAWVNQGCJQM-AWEZNQCLSA-N 0 1 299.345 3.931 20 0 CHADMN CC[C@@H](NCc1ccc(F)c(C#N)c1)c1ccccc1OC ZINC000318353634 1121102249 /nfs/dbraw/zinc/10/22/49/1121102249.db2.gz DTOZYDXNARYUBK-QGZVFWFLSA-N 0 1 298.361 3.947 20 0 CHADMN CCn1c2ccccc2nc1CN(C)CCC(C)(C)C ZINC000674231785 1121102671 /nfs/dbraw/zinc/10/26/71/1121102671.db2.gz OSTWSUIJEJGYQD-UHFFFAOYSA-N 0 1 273.424 3.924 20 0 CHADMN CC[C@H](C)Sc1ccc(NC(=O)[C@H](C)N(C)C)c(C)c1 ZINC000674246087 1121104863 /nfs/dbraw/zinc/10/48/63/1121104863.db2.gz CELSOKRJTWHCPA-STQMWFEESA-N 0 1 294.464 3.774 20 0 CHADMN CC(=O)OCc1cccc(C)c1Nc1cc(C)cc(C)n1 ZINC001212767792 1121109299 /nfs/dbraw/zinc/10/92/99/1121109299.db2.gz XUXAPHQPZMMIGP-UHFFFAOYSA-N 0 1 284.359 3.814 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)CCC(C)(C)C)n2)cc1 ZINC000606369690 1121109977 /nfs/dbraw/zinc/10/99/77/1121109977.db2.gz HKDADPJWFYTHKR-UHFFFAOYSA-N 0 1 286.379 3.545 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cc(F)c(F)c(F)c1 ZINC001174959042 1121111676 /nfs/dbraw/zinc/11/16/76/1121111676.db2.gz ZGFYSMVBGHSZDS-UHFFFAOYSA-N 0 1 295.239 3.943 20 0 CHADMN C[C@H](NCc1ccc(OC(F)F)c(F)c1)c1cccnc1 ZINC000167974095 1121114473 /nfs/dbraw/zinc/11/44/73/1121114473.db2.gz VRANURDXDJYXAR-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN CC(C)(C)c1nc(Nc2ccc(F)c(F)c2F)no1 ZINC001174966630 1121116215 /nfs/dbraw/zinc/11/62/15/1121116215.db2.gz YXKMEQYJAPLLOD-UHFFFAOYSA-N 0 1 271.242 3.528 20 0 CHADMN C[C@H](CCN1Cc2ccc(O)cc2C1)OCc1ccccc1 ZINC000625726757 1121117398 /nfs/dbraw/zinc/11/73/98/1121117398.db2.gz BWOOANJGKYZQFM-OAHLLOKOSA-N 0 1 297.398 3.703 20 0 CHADMN C[C@H](CC(=O)OC(C)(C)C)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000344209569 1121120654 /nfs/dbraw/zinc/12/06/54/1121120654.db2.gz BCSFWFACVAVUGN-OUCADQQQSA-N 0 1 293.407 3.613 20 0 CHADMN COc1ccc2ccccc2c1CN(C)Cc1cccn1C ZINC000093584343 1128963827 /nfs/dbraw/zinc/96/38/27/1128963827.db2.gz QEVRJFCTNBATAX-UHFFFAOYSA-N 0 1 294.398 3.819 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CC[C@@](C)(CC)C1 ZINC000344214952 1121122699 /nfs/dbraw/zinc/12/26/99/1121122699.db2.gz HJAZYQJKQSRTAA-GOSISDBHSA-N 0 1 288.435 3.618 20 0 CHADMN C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCc1ccccn1 ZINC000344220074 1121123770 /nfs/dbraw/zinc/12/37/70/1121123770.db2.gz HEYNFLLNWCPUEL-GFCCVEGCSA-N 0 1 288.341 3.522 20 0 CHADMN C[C@@H]1c2cc(F)cc(F)c2CCN1CCc1ccccn1 ZINC000344220074 1121123774 /nfs/dbraw/zinc/12/37/74/1121123774.db2.gz HEYNFLLNWCPUEL-GFCCVEGCSA-N 0 1 288.341 3.522 20 0 CHADMN CCOc1ccc(CN2CCCc3occc3C2)cc1 ZINC000344232216 1121126708 /nfs/dbraw/zinc/12/67/08/1121126708.db2.gz GKTLNDCTFKTCES-UHFFFAOYSA-N 0 1 271.360 3.627 20 0 CHADMN CCOc1cc(F)cc(Nc2ccc3nccn3c2)c1 ZINC001175003873 1121128172 /nfs/dbraw/zinc/12/81/72/1121128172.db2.gz PDALXCDXPDVDAO-UHFFFAOYSA-N 0 1 271.295 3.616 20 0 CHADMN C[C@@H]1CCCCCN1Cc1nc(-c2ccc(F)cc2)no1 ZINC000512170620 1121135031 /nfs/dbraw/zinc/13/50/31/1121135031.db2.gz LZTJAGMSULLVOO-GFCCVEGCSA-N 0 1 289.354 3.640 20 0 CHADMN Cc1ccccc1[C@H](C)N1Cc2ccc(O)cc2C1 ZINC000625727379 1121135690 /nfs/dbraw/zinc/13/56/90/1121135690.db2.gz VRISELZKLKTKRF-ZDUSSCGKSA-N 0 1 253.345 3.777 20 0 CHADMN CC[C@@H](C)CN(C)Cc1ncc(-c2ccccc2)o1 ZINC000171952407 1121135731 /nfs/dbraw/zinc/13/57/31/1121135731.db2.gz VSLSDPQJXYBNCQ-CYBMUJFWSA-N 0 1 258.365 3.820 20 0 CHADMN CCO[C@H]1C[C@@H](N(C)Cc2cnc(C3CC3)s2)C1(C)C ZINC000093605422 1128964977 /nfs/dbraw/zinc/96/49/77/1128964977.db2.gz WSUCQEORLIGGOM-KGLIPLIRSA-N 0 1 294.464 3.656 20 0 CHADMN CCc1ccc(C(=O)Nc2cccc(Cl)c2O)cc1 ZINC000172111505 1121139242 /nfs/dbraw/zinc/13/92/42/1121139242.db2.gz VSVSNILSKJZBCU-UHFFFAOYSA-N 0 1 275.735 3.860 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)CCc1nccs1 ZINC000157497735 1121141769 /nfs/dbraw/zinc/14/17/69/1121141769.db2.gz WZNQKMRQLAZBGF-JTQLQIEISA-N 0 1 282.359 3.657 20 0 CHADMN CCOc1ccc(Nc2c(C)ncn2C)cc1C(F)(F)F ZINC001175033889 1121153163 /nfs/dbraw/zinc/15/31/63/1121153163.db2.gz ALSHOHUMZATPHD-UHFFFAOYSA-N 0 1 299.296 3.890 20 0 CHADMN CC[N@H+](Cc1ccc(Br)cc1F)CC1CC1 ZINC000069238972 1121161110 /nfs/dbraw/zinc/16/11/10/1121161110.db2.gz OEXMBBWCHZDNNV-UHFFFAOYSA-N 0 1 286.188 3.820 20 0 CHADMN COc1ccc(CNCc2cccc(C(C)C)c2)o1 ZINC000893675862 1121161124 /nfs/dbraw/zinc/16/11/24/1121161124.db2.gz OXWZIIZJPUDEPZ-UHFFFAOYSA-N 0 1 259.349 3.701 20 0 CHADMN c1c(CN2CCCCCC2)noc1-c1ccccc1 ZINC000674678872 1121167202 /nfs/dbraw/zinc/16/72/02/1121167202.db2.gz IKHROWUQCIZPGR-UHFFFAOYSA-N 0 1 256.349 3.718 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(F)c(C(F)(F)F)c1 ZINC001175074897 1121173541 /nfs/dbraw/zinc/17/35/41/1121173541.db2.gz ITNYASJRALCELY-UHFFFAOYSA-N 0 1 273.233 3.630 20 0 CHADMN CCOc1cccc(Nc2cnc3cccc(C)n23)c1 ZINC001175091765 1121180922 /nfs/dbraw/zinc/18/09/22/1121180922.db2.gz GUVIPLJMEOVDIT-UHFFFAOYSA-N 0 1 267.332 3.785 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000619131865 1128968093 /nfs/dbraw/zinc/96/80/93/1128968093.db2.gz BUOVVJXGPXMQFZ-CHWSQXEVSA-N 0 1 285.391 3.522 20 0 CHADMN CCCCOc1c(Br)cc(C)cc1NC=N ZINC001167871594 1121186966 /nfs/dbraw/zinc/18/69/66/1121186966.db2.gz QTJBIPPSCUNCPT-UHFFFAOYSA-N 0 1 285.185 3.955 20 0 CHADMN CCOc1ccc(CN(CC)Cc2ccc(C)cc2)nc1 ZINC000674862360 1121188301 /nfs/dbraw/zinc/18/83/01/1121188301.db2.gz SNJHAZOLDCLWJT-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN CC[C@@H](CC1CCCC1)C(=O)N1CCN(CC)C[C@H]1CC ZINC001128872936 1121193389 /nfs/dbraw/zinc/19/33/89/1121193389.db2.gz WLKNUFVKSOKWRR-DLBZAZTESA-N 0 1 294.483 3.536 20 0 CHADMN CN(CCCOC(C)(C)C)Cc1nc2c(s1)CCCC2 ZINC000674908843 1121197318 /nfs/dbraw/zinc/19/73/18/1121197318.db2.gz DGZNLMJNCSQEAW-UHFFFAOYSA-N 0 1 296.480 3.659 20 0 CHADMN COC[C@@H](N[C@H](C)c1ccsc1)c1cccc(OC)c1 ZINC000658165613 1121197770 /nfs/dbraw/zinc/19/77/70/1121197770.db2.gz SBDJAWVQFCFDDY-MLGOLLRUSA-N 0 1 291.416 3.795 20 0 CHADMN CCCn1nc(C)c(CN2CCC[C@@H]2c2cccnc2)c1C ZINC000348932727 1121205255 /nfs/dbraw/zinc/20/52/55/1121205255.db2.gz GOXUTMILIXQYNW-GOSISDBHSA-N 0 1 298.434 3.642 20 0 CHADMN C[C@@H](C(=O)Nc1cccc(Cl)c1O)c1cccc(F)c1 ZINC000173473552 1121205851 /nfs/dbraw/zinc/20/58/51/1121205851.db2.gz MZEDYXOKJKMGDN-SECBINFHSA-N 0 1 293.725 3.927 20 0 CHADMN COc1ccccc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000093690277 1128970282 /nfs/dbraw/zinc/97/02/82/1128970282.db2.gz AILWIWCIHVIGTE-GOEBONIOSA-N 0 1 277.433 3.555 20 0 CHADMN COc1ccccc1CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000093690277 1128970285 /nfs/dbraw/zinc/97/02/85/1128970285.db2.gz AILWIWCIHVIGTE-GOEBONIOSA-N 0 1 277.433 3.555 20 0 CHADMN CC(C)c1cc(C(=O)N2CCC(c3ccccc3)CC2)n[nH]1 ZINC000051065640 1121222872 /nfs/dbraw/zinc/22/28/72/1121222872.db2.gz PABOABCAZKDLIY-UHFFFAOYSA-N 0 1 297.402 3.553 20 0 CHADMN Clc1ccc(CN[C@H]2CCCn3nccc32)cc1Cl ZINC000658210179 1121224220 /nfs/dbraw/zinc/22/42/20/1121224220.db2.gz WMEVVKUIIDDZLQ-ZDUSSCGKSA-N 0 1 296.201 3.815 20 0 CHADMN CC(C)(C)[C@H](NCc1cn[nH]c1)c1ccc(F)cc1F ZINC000675157715 1121226556 /nfs/dbraw/zinc/22/65/56/1121226556.db2.gz ZQICRGCYNDNPHB-CQSZACIVSA-N 0 1 279.334 3.565 20 0 CHADMN Cc1[nH+]c2c(Nc3ccc(F)c(C(=O)[O-])c3)cccn2c1C ZINC001175219580 1121228179 /nfs/dbraw/zinc/22/81/79/1121228179.db2.gz AFSSUHXTOMOHOD-UHFFFAOYSA-N 0 1 299.305 3.532 20 0 CHADMN CC(C)c1nc(CN2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000051157401 1121229208 /nfs/dbraw/zinc/22/92/08/1121229208.db2.gz FWFKKOHSDXIZTF-VXGBXAGGSA-N 0 1 252.427 3.744 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccccn2)cc1F ZINC000094836662 1121229801 /nfs/dbraw/zinc/22/98/01/1121229801.db2.gz VBVDWXMMLNPKOJ-STQMWFEESA-N 0 1 258.340 3.941 20 0 CHADMN C[C@@H](F)CCN[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000351730477 1121233785 /nfs/dbraw/zinc/23/37/85/1121233785.db2.gz OTBZDXSIHZQJBQ-VXGBXAGGSA-N 0 1 262.328 3.740 20 0 CHADMN Oc1ccc(CN[C@@H]2CSCc3ccccc32)cc1F ZINC000766098555 1121233987 /nfs/dbraw/zinc/23/39/87/1121233987.db2.gz PDKVULLQMBDSJO-OAHLLOKOSA-N 0 1 289.375 3.609 20 0 CHADMN CC(C)(C)C(=O)CCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000753766814 1121235098 /nfs/dbraw/zinc/23/50/98/1121235098.db2.gz YLASBYJRLXKWGS-GFCCVEGCSA-N 0 1 295.373 3.759 20 0 CHADMN CCC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1C ZINC000512265258 1121235882 /nfs/dbraw/zinc/23/58/82/1121235882.db2.gz PEWGVRMROWZESP-UHFFFAOYSA-N 0 1 282.815 3.707 20 0 CHADMN Oc1ccc2c(c1)[C@@H](N[C@H]1CCCc3occc31)CC2 ZINC000658234425 1121239518 /nfs/dbraw/zinc/23/95/18/1121239518.db2.gz AEDYQBJRUZMYKP-HOTGVXAUSA-N 0 1 269.344 3.640 20 0 CHADMN CCCN(Cc1csc(C(C)C)n1)CC1CC1 ZINC000051281285 1121240222 /nfs/dbraw/zinc/24/02/22/1121240222.db2.gz GYOQBFDXQYFXPP-UHFFFAOYSA-N 0 1 252.427 3.889 20 0 CHADMN CC(C)C[C@@H]1CCCN(Cc2noc3c2CCCC3)C1 ZINC000675249899 1121241450 /nfs/dbraw/zinc/24/14/50/1121241450.db2.gz KITJNCVAGLAYJK-AWEZNQCLSA-N 0 1 276.424 3.812 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@H]1CCc2ccc(O)cc21 ZINC000658239042 1121245166 /nfs/dbraw/zinc/24/51/66/1121245166.db2.gz SXFNZOISDVNLFD-SJCJKPOMSA-N 0 1 282.387 3.688 20 0 CHADMN CSc1cccc(CN(C)Cc2occc2C)c1 ZINC000660615179 1121271116 /nfs/dbraw/zinc/27/11/16/1121271116.db2.gz QHSSVKJNYZCBPI-UHFFFAOYSA-N 0 1 261.390 3.942 20 0 CHADMN Cc1nnc([C@H](C)[N@H+]2CCC[C@@H](CC(C)C)C2)s1 ZINC000338271913 1121278090 /nfs/dbraw/zinc/27/80/90/1121278090.db2.gz AHWQQMOYRAWWLF-AAEUAGOBSA-N 0 1 267.442 3.666 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@@H](CC(C)C)C2)s1 ZINC000338271913 1121278096 /nfs/dbraw/zinc/27/80/96/1121278096.db2.gz AHWQQMOYRAWWLF-AAEUAGOBSA-N 0 1 267.442 3.666 20 0 CHADMN Cc1ccc(C)c(Nc2ccc(C(=O)[O-])c(Cl)c2)[nH+]1 ZINC001175317447 1121280749 /nfs/dbraw/zinc/28/07/49/1121280749.db2.gz WSALWWXVHMYPDW-UHFFFAOYSA-N 0 1 276.723 3.794 20 0 CHADMN C=Cn1cc(CN[C@@]2(c3cccc(C)c3)C[C@H]2CC)cn1 ZINC000500513768 1121293765 /nfs/dbraw/zinc/29/37/65/1121293765.db2.gz OGASHPRPTXPHGT-AEFFLSMTSA-N 0 1 281.403 3.707 20 0 CHADMN C[C@H]1CCN(Cc2ccc(C(F)(F)F)s2)[C@H]1C ZINC000432724471 1121297654 /nfs/dbraw/zinc/29/76/54/1121297654.db2.gz GFGLYJMMXHNWLJ-IUCAKERBSA-N 0 1 263.328 3.997 20 0 CHADMN CC(C)(C)c1n[nH]c(SCCc2ccccc2F)n1 ZINC000432730790 1121298700 /nfs/dbraw/zinc/29/87/00/1121298700.db2.gz VPFBBNCOHLVNSG-UHFFFAOYSA-N 0 1 279.384 3.576 20 0 CHADMN CC(C)(C)c1nc(SCCc2ccccc2F)n[nH]1 ZINC000432730790 1121298705 /nfs/dbraw/zinc/29/87/05/1121298705.db2.gz VPFBBNCOHLVNSG-UHFFFAOYSA-N 0 1 279.384 3.576 20 0 CHADMN C[C@H](O)c1ccc(CN[C@@H](C)c2ccc(F)cc2F)cc1 ZINC000178546719 1121299468 /nfs/dbraw/zinc/29/94/68/1121299468.db2.gz DIWDPFVUBYDMPM-RYUDHWBXSA-N 0 1 291.341 3.869 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000432739824 1121306526 /nfs/dbraw/zinc/30/65/26/1121306526.db2.gz SWSRZMGNSMYRAK-SECBINFHSA-N 0 1 263.328 3.999 20 0 CHADMN Cc1cccc([C@H]2CCCN2C[C@@H]2CC2(Cl)Cl)n1 ZINC000766137327 1121306771 /nfs/dbraw/zinc/30/67/71/1121306771.db2.gz SFKHRJPJFSSTBP-WCQYABFASA-N 0 1 285.218 3.721 20 0 CHADMN COc1cncc(CN[C@@H](C)c2cc3ccccc3o2)c1C ZINC000631035076 1128980285 /nfs/dbraw/zinc/98/02/85/1128980285.db2.gz JROKFYAZTSVJQN-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN C[C@H](N[C@H](CCO)c1cccs1)c1ccc(F)cc1F ZINC000766138274 1121310784 /nfs/dbraw/zinc/31/07/84/1121310784.db2.gz VYMODMWVBJBSHP-IINYFYTJSA-N 0 1 297.370 3.801 20 0 CHADMN Cc1nc2c(n1Cc1cccc3cccnc31)CCCC2 ZINC000130489588 1121313730 /nfs/dbraw/zinc/31/37/30/1121313730.db2.gz KMKMRTUKRKFBHH-UHFFFAOYSA-N 0 1 277.371 3.667 20 0 CHADMN O=c1cc(C2CCC2)[nH]n1Cc1c(Cl)cccc1Cl ZINC000634629815 1128977545 /nfs/dbraw/zinc/97/75/45/1128977545.db2.gz DVJCRJGIOPBULX-UHFFFAOYSA-N 0 1 297.185 3.882 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1cccc(F)c1Cl ZINC000235455010 1121324258 /nfs/dbraw/zinc/32/42/58/1121324258.db2.gz PYVWUFJZTSRZRR-SSDOTTSWSA-N 0 1 269.669 3.910 20 0 CHADMN Cc1ccc(CNC2(c3ccc(F)cc3)CCC2)nc1 ZINC000675551301 1121326020 /nfs/dbraw/zinc/32/60/20/1121326020.db2.gz AAFAJDYFPHUMJI-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN Fc1cc(CN2CC[C@@H]3CSC[C@@H]3C2)ccc1Cl ZINC001175444660 1121327055 /nfs/dbraw/zinc/32/70/55/1121327055.db2.gz MFBZWUYUZYTUNH-NEPJUHHUSA-N 0 1 285.815 3.664 20 0 CHADMN CC(C)(C)C(=N)Nc1cnc(-c2ccccc2)nc1 ZINC001162660018 1121327900 /nfs/dbraw/zinc/32/79/00/1121327900.db2.gz ASPWRWFRGDGQOQ-UHFFFAOYSA-N 0 1 254.337 3.579 20 0 CHADMN COc1ccc2cc(NC(=N)C(C)(C)C)ncc2c1 ZINC001162657651 1121328300 /nfs/dbraw/zinc/32/83/00/1121328300.db2.gz NHSDJGJZTPHBKN-UHFFFAOYSA-N 0 1 257.337 3.679 20 0 CHADMN Cc1cc([C@H]2CN(CC3(C)CCC3)CCO2)ccc1F ZINC000432775519 1121335720 /nfs/dbraw/zinc/33/57/20/1121335720.db2.gz VBLDYNDJSRKBQV-MRXNPFEDSA-N 0 1 277.383 3.698 20 0 CHADMN C[C@@H](NCc1ccncc1Cl)c1ccc2c(c1)CCO2 ZINC000704394739 1121341835 /nfs/dbraw/zinc/34/18/35/1121341835.db2.gz QEZPACSZTBLLMP-LLVKDONJSA-N 0 1 288.778 3.521 20 0 CHADMN C[C@H]1CC[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2F)C1 ZINC000429581786 1121341861 /nfs/dbraw/zinc/34/18/61/1121341861.db2.gz WPMZALJPJNNSIU-JQWIXIFHSA-N 0 1 298.789 3.538 20 0 CHADMN C/C(=C/c1ccccc1)CN1CCc2ccc(O)cc2C1 ZINC000509534265 1121342937 /nfs/dbraw/zinc/34/29/37/1121342937.db2.gz WTWKFXNOLAFBBU-PTNGSMBKSA-N 0 1 279.383 3.854 20 0 CHADMN COCc1ccccc1CNCc1cc(Cl)ccc1F ZINC000125154459 1121344633 /nfs/dbraw/zinc/34/46/33/1121344633.db2.gz LTCMYNPFDXVYLH-UHFFFAOYSA-N 0 1 293.769 3.915 20 0 CHADMN C[C@@H]1CC[C@H]2C(=O)N(Cc3c(Cl)cccc3Cl)N=C12 ZINC000634629941 1128979065 /nfs/dbraw/zinc/97/90/65/1128979065.db2.gz HVZFPCQPHSRJJN-RKDXNWHRSA-N 0 1 297.185 3.738 20 0 CHADMN C[C@@H]1CCc2c(=O)n(Cc3c(Cl)cccc3Cl)[nH]c21 ZINC000634629941 1128979067 /nfs/dbraw/zinc/97/90/67/1128979067.db2.gz HVZFPCQPHSRJJN-RKDXNWHRSA-N 0 1 297.185 3.738 20 0 CHADMN Cc1cccc(NC(=O)CN[C@H](C)c2ccsc2)c1C ZINC000675727298 1121349802 /nfs/dbraw/zinc/34/98/02/1121349802.db2.gz TZVOGKCRHKRPNF-CYBMUJFWSA-N 0 1 288.416 3.654 20 0 CHADMN C[C@@H]1CC2(CCC2)CN1Cc1cnc2ccc(Cl)cn12 ZINC000432787311 1121354116 /nfs/dbraw/zinc/35/41/16/1121354116.db2.gz GDQCUAWYFMXZPF-GFCCVEGCSA-N 0 1 289.810 3.752 20 0 CHADMN Cc1occc1CN[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000675779283 1121354474 /nfs/dbraw/zinc/35/44/74/1121354474.db2.gz JCKXNJWZNGBYPK-LLVKDONJSA-N 0 1 298.386 3.669 20 0 CHADMN Cc1cc2c(cccc2N)n1-c1cc2cn[nH]c2c(C)c1 ZINC001175521276 1121361073 /nfs/dbraw/zinc/36/10/73/1121361073.db2.gz KURTVESGJATEPP-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN Cc1cc(CNC(=O)CC2CCC(C(C)(C)C)CC2)n[nH]1 ZINC000675797231 1121361193 /nfs/dbraw/zinc/36/11/93/1121361193.db2.gz QVXJOSOOGOHFEL-UHFFFAOYSA-N 0 1 291.439 3.577 20 0 CHADMN Cc1cnc(Nc2c3cn[nH]c3ccc2C)c(Cl)c1 ZINC001175524330 1121362407 /nfs/dbraw/zinc/36/24/07/1121362407.db2.gz RSRKKKXGCKZOIW-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cnc2c(c1)CCCC2 ZINC001175523215 1121362456 /nfs/dbraw/zinc/36/24/56/1121362456.db2.gz AMWPMYYWQYCZIF-UHFFFAOYSA-N 0 1 278.359 3.889 20 0 CHADMN Cc1cc(-n2ccc3cc(N)c(F)cc32)cc2cn[nH]c21 ZINC001175521953 1121362502 /nfs/dbraw/zinc/36/25/02/1121362502.db2.gz ZHTRNKCKVRHGKS-UHFFFAOYSA-N 0 1 280.306 3.537 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1c[nH]c(=O)c2ccccc12 ZINC001175523434 1121363221 /nfs/dbraw/zinc/36/32/21/1121363221.db2.gz GEHHUJWKKOETBI-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1ccc(Nc2c3cn[nH]c3ccc2C)c(Cl)n1 ZINC001175523519 1121363887 /nfs/dbraw/zinc/36/38/87/1121363887.db2.gz JRRZHALTDBCRRK-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1c2c[nH]nc2ccc1C ZINC001175524871 1121364788 /nfs/dbraw/zinc/36/47/88/1121364788.db2.gz VXULFRUPZWASEF-UHFFFAOYSA-N 0 1 295.321 3.710 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1c2cn[nH]c2ccc1C ZINC001175524871 1121364805 /nfs/dbraw/zinc/36/48/05/1121364805.db2.gz VXULFRUPZWASEF-UHFFFAOYSA-N 0 1 295.321 3.710 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2cnn(C)c2c1 ZINC001175525719 1121365249 /nfs/dbraw/zinc/36/52/49/1121365249.db2.gz GZKHJIGBBKLJJY-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccnn1-c1ccccc1 ZINC001175524787 1121365440 /nfs/dbraw/zinc/36/54/40/1121365440.db2.gz WJTRKCUOTFVVQH-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(Cl)ccc1N ZINC001175525473 1121366109 /nfs/dbraw/zinc/36/61/09/1121366109.db2.gz DMNCBQMJJJVCIW-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN COC(=O)c1cccc(Nc2c3cn[nH]c3ccc2C)c1C ZINC001175525768 1121366753 /nfs/dbraw/zinc/36/67/53/1121366753.db2.gz ILTLPIXHSVJZKL-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1nc2c(s1)CCC2 ZINC001175526495 1121367714 /nfs/dbraw/zinc/36/77/14/1121367714.db2.gz XDKGKYUDGFUOJW-UHFFFAOYSA-N 0 1 270.361 3.560 20 0 CHADMN Cc1ccc2[nH]ncc2c1N(C)c1cc(Cl)ccc1N ZINC001175526898 1121368182 /nfs/dbraw/zinc/36/81/82/1121368182.db2.gz ZYVFCNCYPUUIEM-UHFFFAOYSA-N 0 1 286.766 3.875 20 0 CHADMN COC(=O)c1ccc(Nc2c3cn[nH]c3ccc2C)cc1C ZINC001175526668 1121368357 /nfs/dbraw/zinc/36/83/57/1121368357.db2.gz YQTNBMKKFVEOIS-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1cc(Nc2c3cn[nH]c3ccc2C)n(C(C)(C)C)n1 ZINC001175526549 1121369510 /nfs/dbraw/zinc/36/95/10/1121369510.db2.gz YZPUXSNXGXRZNF-UHFFFAOYSA-N 0 1 283.379 3.875 20 0 CHADMN COc1cc(F)cc(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175527229 1121371034 /nfs/dbraw/zinc/37/10/34/1121371034.db2.gz IGNPBYJZJZOEPI-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN CC(=O)Oc1ccc(F)c(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175527894 1121371303 /nfs/dbraw/zinc/37/13/03/1121371303.db2.gz WFRGPQMNIALVSX-UHFFFAOYSA-N 0 1 299.305 3.679 20 0 CHADMN Cc1ccc(N)c(N(C)c2c3cn[nH]c3ccc2C)c1 ZINC001175527418 1121371545 /nfs/dbraw/zinc/37/15/45/1121371545.db2.gz MKUOKDNQPXQNSC-UHFFFAOYSA-N 0 1 266.348 3.530 20 0 CHADMN Cc1cc(Nc2cccc3nn(C)cc32)c2ccccc2n1 ZINC001175589733 1121374479 /nfs/dbraw/zinc/37/44/79/1121374479.db2.gz WNZIWHHDVVCBBQ-UHFFFAOYSA-N 0 1 288.354 3.595 20 0 CHADMN O=C(CN1CCC(c2ccccc2)CC1)Nc1ccccc1 ZINC000247793900 1121375635 /nfs/dbraw/zinc/37/56/35/1121375635.db2.gz PYJLQPGAUHXIGA-UHFFFAOYSA-N 0 1 294.398 3.505 20 0 CHADMN C[C@H](N[C@@H](Cc1nccn1C)c1ccccc1)c1ccoc1 ZINC000675917818 1121381274 /nfs/dbraw/zinc/38/12/74/1121381274.db2.gz FNCMSZDZIGGWBY-YOEHRIQHSA-N 0 1 295.386 3.648 20 0 CHADMN C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)ccc([O-])c2F)C[C@@H]1C ZINC000512478713 1121384984 /nfs/dbraw/zinc/38/49/84/1121384984.db2.gz DHDKTZPOHSVOFU-OUAUKWLOSA-N 0 1 269.335 3.585 20 0 CHADMN CC[C@H](C)[C@H](C)[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)C1CC1 ZINC000432821023 1121385459 /nfs/dbraw/zinc/38/54/59/1121385459.db2.gz VJOAWFQSMXYUQI-RYUDHWBXSA-N 0 1 278.444 3.501 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1nnc(C(C)(C)C)[nH]1)C1CC1 ZINC000432821023 1121385468 /nfs/dbraw/zinc/38/54/68/1121385468.db2.gz VJOAWFQSMXYUQI-RYUDHWBXSA-N 0 1 278.444 3.501 20 0 CHADMN Cc1ccc(-c2nnc(CN(C)[C@H]3CC[C@@H](C)C3)o2)cc1 ZINC000429585679 1121388708 /nfs/dbraw/zinc/38/87/08/1121388708.db2.gz SOAWNCKKDFLGAD-HIFRSBDPSA-N 0 1 285.391 3.665 20 0 CHADMN C[C@H]1CCN(Cc2n[nH]c(C(C)(C)C)n2)c2ccccc21 ZINC000432826268 1121394688 /nfs/dbraw/zinc/39/46/88/1121394688.db2.gz XKDANHPHXWAWNZ-LBPRGKRZSA-N 0 1 284.407 3.616 20 0 CHADMN COc1cncc(CNCc2oc3ccccc3c2C)c1C ZINC000631073318 1128982612 /nfs/dbraw/zinc/98/26/12/1128982612.db2.gz HKNSHZMEWQHDHD-UHFFFAOYSA-N 0 1 296.370 3.743 20 0 CHADMN CCCCOc1c(F)c(F)ccc1NC1=CCCN(C)C1 ZINC001175580692 1121398699 /nfs/dbraw/zinc/39/86/99/1121398699.db2.gz QCSPCNKYQXNTGJ-UHFFFAOYSA-N 0 1 296.361 3.775 20 0 CHADMN Cc1cc(CN[C@H]2CCCOc3ccc(C(C)C)cc32)[nH]n1 ZINC000676077391 1121404125 /nfs/dbraw/zinc/40/41/25/1121404125.db2.gz QACLCRQBDBDVMN-KRWDZBQOSA-N 0 1 299.418 3.845 20 0 CHADMN Cc1cc(CN[C@H]2CCCOc3ccc(C(C)C)cc32)n[nH]1 ZINC000676077391 1121404130 /nfs/dbraw/zinc/40/41/30/1121404130.db2.gz QACLCRQBDBDVMN-KRWDZBQOSA-N 0 1 299.418 3.845 20 0 CHADMN CC[C@@H](NCc1cccnc1C)c1ccccc1OC ZINC000705528722 1121406333 /nfs/dbraw/zinc/40/63/33/1121406333.db2.gz YGFAJIIVHVXPFE-MRXNPFEDSA-N 0 1 270.376 3.640 20 0 CHADMN CSc1ccc(Nc2cc(C)nc3ccccc32)cn1 ZINC001175650771 1121407523 /nfs/dbraw/zinc/40/75/23/1121407523.db2.gz GILDGMXIEQDGDK-UHFFFAOYSA-N 0 1 281.384 3.826 20 0 CHADMN CCN(Cc1cc(-c2ccccc2Cl)on1)C1CC1 ZINC000419180076 1121408310 /nfs/dbraw/zinc/40/83/10/1121408310.db2.gz FKPLTLZMIZIICZ-UHFFFAOYSA-N 0 1 276.767 3.979 20 0 CHADMN Cc1[nH]nc2ccc(Nc3c(Cl)cnnc3Cl)cc12 ZINC001175693473 1121414991 /nfs/dbraw/zinc/41/49/91/1121414991.db2.gz ACEQQQBRVZKNPN-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cnc(Cl)c(F)c3)cc12 ZINC001175694489 1121415338 /nfs/dbraw/zinc/41/53/38/1121415338.db2.gz QMSJFCIPZQWUTP-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ncc(Cl)nc3Cl)cc12 ZINC001175695722 1121416026 /nfs/dbraw/zinc/41/60/26/1121416026.db2.gz MUQHJZCIIOJXBV-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@@H]1C(=O)[O-] ZINC000314160005 1121417686 /nfs/dbraw/zinc/41/76/86/1121417686.db2.gz OTSTUQDQHZONOO-BBRMVZONSA-N 0 1 289.419 3.527 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc(C)c3O)cc12 ZINC001175699825 1121417783 /nfs/dbraw/zinc/41/77/83/1121417783.db2.gz SNSQHCCTWBWFTE-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1nc2c(Nc3ccc4n[nH]c(C)c4c3)cccn2c1C ZINC001175699908 1121417832 /nfs/dbraw/zinc/41/78/32/1121417832.db2.gz VZLKYZXAVUUZSF-UHFFFAOYSA-N 0 1 291.358 3.879 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc(O)c3Cl)cc12 ZINC001175700356 1121418476 /nfs/dbraw/zinc/41/84/76/1121418476.db2.gz KPCJRAFSEMJTGJ-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4c3COC4)cc21 ZINC001175701896 1121419912 /nfs/dbraw/zinc/41/99/12/1121419912.db2.gz IUOPVQSLBQPOTK-UHFFFAOYSA-N 0 1 265.316 3.645 20 0 CHADMN COc1ccc(C(C)=O)c(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175702124 1121420765 /nfs/dbraw/zinc/42/07/65/1121420765.db2.gz LITCXCJWDPETQC-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN Cc1[nH]nc2ccc(N3CCCc4c(N)cccc43)cc12 ZINC001175702607 1121420955 /nfs/dbraw/zinc/42/09/55/1121420955.db2.gz QJPHQUQJUUEPOH-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN CCCn1cc(C[N@@H+](C)Cc2cc(C)ccc2C)cn1 ZINC000432883323 1121421428 /nfs/dbraw/zinc/42/14/28/1121421428.db2.gz ILPJFNOPNIEPCA-UHFFFAOYSA-N 0 1 271.408 3.542 20 0 CHADMN CCCn1cc(CN(C)Cc2cc(C)ccc2C)cn1 ZINC000432883323 1121421433 /nfs/dbraw/zinc/42/14/33/1121421433.db2.gz ILPJFNOPNIEPCA-UHFFFAOYSA-N 0 1 271.408 3.542 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(C4CCC4)nn3C)ccc12 ZINC001175659430 1121423157 /nfs/dbraw/zinc/42/31/57/1121423157.db2.gz AZVQWPIRNLQWIK-UHFFFAOYSA-N 0 1 281.363 3.616 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(C)cnc3Cl)ccc12 ZINC001175659229 1121423665 /nfs/dbraw/zinc/42/36/65/1121423665.db2.gz HONDYPGNQAOOFY-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1[nH]nc2cc(Nc3c(F)c(F)nc(F)c3F)ccc12 ZINC001175660387 1121424745 /nfs/dbraw/zinc/42/47/45/1121424745.db2.gz YCOGGUAATJZRFN-UHFFFAOYSA-N 0 1 296.227 3.566 20 0 CHADMN COc1ccc(Nc2ccc3c(C)[nH]nc3c2)c(F)c1 ZINC001175661201 1121424929 /nfs/dbraw/zinc/42/49/29/1121424929.db2.gz DSPGJBNEYJLSOF-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(OC(C)C)nc3)ccc21 ZINC001175659544 1121425106 /nfs/dbraw/zinc/42/51/06/1121425106.db2.gz DZDYZMJRNKZKNN-UHFFFAOYSA-N 0 1 282.347 3.797 20 0 CHADMN COc1ccc(Nc2ccc3c(c2)n[nH]c3C)cc1OC ZINC001175662260 1121425619 /nfs/dbraw/zinc/42/56/19/1121425619.db2.gz BRYNFNDLZXOJRR-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN COc1cc(C)c(Nc2ccc3c(c2)n[nH]c3C)cc1OC ZINC001175661620 1121425984 /nfs/dbraw/zinc/42/59/84/1121425984.db2.gz PBYVLAXLGHTCAN-UHFFFAOYSA-N 0 1 297.358 3.941 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(O)c(Cl)c3)ccc12 ZINC001175662443 1121426112 /nfs/dbraw/zinc/42/61/12/1121426112.db2.gz MLVPMYUIWOWVTE-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN CC(=O)c1cc(Nc2ccc3c(C)[nH]nc3c2)ccc1F ZINC001175662440 1121426299 /nfs/dbraw/zinc/42/62/99/1121426299.db2.gz MJKXCRLPFBXPIF-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(Cl)ccc3N)ccc12 ZINC001175662300 1121426617 /nfs/dbraw/zinc/42/66/17/1121426617.db2.gz DYZLGOXTEQPSPX-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4oncc4c3)ccc12 ZINC001175662974 1121427367 /nfs/dbraw/zinc/42/73/67/1121427367.db2.gz MNIUWJCBJVZETC-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN CC(=O)c1cccc(Nc2ccc3c(C)[nH]nc3c2)c1O ZINC001175663099 1121427429 /nfs/dbraw/zinc/42/74/29/1121427429.db2.gz SVRMHYRLYJDXKT-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(C4(C)COC4)cc3)ccc21 ZINC001175664169 1121427814 /nfs/dbraw/zinc/42/78/14/1121427814.db2.gz WCEAPQJOHKOQAR-UHFFFAOYSA-N 0 1 293.370 3.903 20 0 CHADMN Cc1[nH]nc2cc(N(C)c3cc(C)ccc3N)ccc12 ZINC001175663231 1121428196 /nfs/dbraw/zinc/42/81/96/1121428196.db2.gz VQSOOVLRNMIQHL-UHFFFAOYSA-N 0 1 266.348 3.530 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccccc3C3OCCO3)ccc21 ZINC001175664569 1121428206 /nfs/dbraw/zinc/42/82/06/1121428206.db2.gz GFQGCDROCXWDKO-UHFFFAOYSA-N 0 1 295.342 3.660 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(CO)c(Cl)c3)ccc12 ZINC001175662863 1121428241 /nfs/dbraw/zinc/42/82/41/1121428241.db2.gz HCEKMNPGDKFVDI-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN COc1ccc(F)c(F)c1Nc1ccc2c(C)[nH]nc2c1 ZINC001175663368 1121428323 /nfs/dbraw/zinc/42/83/23/1121428323.db2.gz YPZREWCVSVFQCR-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2ccc(C)nc2)c1 ZINC000432883414 1121430040 /nfs/dbraw/zinc/43/00/40/1121430040.db2.gz IYGLPPRQSCMQBD-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN COC(=O)c1cc(C)cc(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175703146 1121430545 /nfs/dbraw/zinc/43/05/45/1121430545.db2.gz YMTDVPJGKAAQRF-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN C=CC(=O)Nc1cccc(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175703260 1121433969 /nfs/dbraw/zinc/43/39/69/1121433969.db2.gz ZIPZDMWKCDDMMB-UHFFFAOYSA-N 0 1 292.342 3.739 20 0 CHADMN Cc1nc([C@H](C)NC[C@@](C)(O)CCC(C)C)c(C)s1 ZINC000676493307 1121435740 /nfs/dbraw/zinc/43/57/40/1121435740.db2.gz VKUDRZVLCWMQHO-NHYWBVRUSA-N 0 1 284.469 3.598 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@@H](C)c2nc(C)sc2C)C12CCC2 ZINC000676493112 1121435799 /nfs/dbraw/zinc/43/57/99/1121435799.db2.gz RSAZEUHNUUUTSA-LEWSCRJBSA-N 0 1 294.464 3.758 20 0 CHADMN Cc1nc([C@H](C)NC[C@](C)(O)CCC(C)C)c(C)s1 ZINC000676493308 1121435986 /nfs/dbraw/zinc/43/59/86/1121435986.db2.gz VKUDRZVLCWMQHO-XHDPSFHLSA-N 0 1 284.469 3.598 20 0 CHADMN CO[C@H](CN[C@@H](C)c1nc(C)sc1C)c1ccccc1 ZINC000676488829 1121439941 /nfs/dbraw/zinc/43/99/41/1121439941.db2.gz HDVJXQCIOCGLNT-XHDPSFHLSA-N 0 1 290.432 3.798 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2ocnc2C)cc1 ZINC000893911117 1121439900 /nfs/dbraw/zinc/43/99/00/1121439900.db2.gz QJSAMSKHGBBFAX-INIZCTEOSA-N 0 1 286.375 3.719 20 0 CHADMN Cc1ncoc1CN([C@H](C)c1ccccc1)C1CC1 ZINC000893927547 1121440638 /nfs/dbraw/zinc/44/06/38/1121440638.db2.gz AOOUGQRYLJGKSO-CYBMUJFWSA-N 0 1 256.349 3.709 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2CCC1(C)C)c1cn(C)cn1 ZINC000925926542 1121443145 /nfs/dbraw/zinc/44/31/45/1121443145.db2.gz SSKNJHLDGNHMIZ-SUMWQHHRSA-N 0 1 283.419 3.784 20 0 CHADMN Cc1cc(CN2CC[C@@H](C(F)(F)F)C2(C)C)cnc1F ZINC000893942077 1121443192 /nfs/dbraw/zinc/44/31/92/1121443192.db2.gz YPNKYCYYGGLJKW-LLVKDONJSA-N 0 1 290.304 3.692 20 0 CHADMN COCCN(Cc1ccc(C)cn1)Cc1ccc(C)cc1C ZINC000676557162 1121443522 /nfs/dbraw/zinc/44/35/22/1121443522.db2.gz KORAHFABZFQXRI-UHFFFAOYSA-N 0 1 298.430 3.655 20 0 CHADMN Cc1ccc(CN(C)[C@@H](C)c2cccc(F)c2)nc1 ZINC000676557265 1121443902 /nfs/dbraw/zinc/44/39/02/1121443902.db2.gz PCGCSBPXTVPGKF-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN Cc1noc2ncc(CN3CCC[C@@H]3c3ccsc3)cc12 ZINC000893944037 1121445330 /nfs/dbraw/zinc/44/53/30/1121445330.db2.gz NKMNCIMCQOWJCQ-OAHLLOKOSA-N 0 1 299.399 3.930 20 0 CHADMN CCCSC[C@H](C)N[C@H](C)c1nnc([C@@H](C)CC)[nH]1 ZINC000894008949 1121452107 /nfs/dbraw/zinc/45/21/07/1121452107.db2.gz PPXOTSRLMLKRCP-SDDRHHMPSA-N 0 1 284.473 3.501 20 0 CHADMN CC(C)(C)CC(C)(C)NC(=O)c1ccc(O)c(Cl)c1 ZINC000048150155 1121452759 /nfs/dbraw/zinc/45/27/59/1121452759.db2.gz YIGNFGYZIIQZAN-UHFFFAOYSA-N 0 1 283.799 3.990 20 0 CHADMN Cc1coc(CN(C)[C@H]2CCCc3nc(C)sc32)c1 ZINC000894021797 1121456186 /nfs/dbraw/zinc/45/61/86/1121456186.db2.gz WFGGQXNYHQIAPK-AWEZNQCLSA-N 0 1 276.405 3.862 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1ccc(C(F)F)nc1 ZINC000631105507 1128985677 /nfs/dbraw/zinc/98/56/77/1128985677.db2.gz NRIMDFGTCZGWNU-NSHDSACASA-N 0 1 291.345 3.827 20 0 CHADMN Cc1n[nH]c(CN2CCCCC[C@H]2c2ccco2)c1C ZINC000894026432 1121457807 /nfs/dbraw/zinc/45/78/07/1121457807.db2.gz GMHUIBUCVLTTRZ-HNNXBMFYSA-N 0 1 273.380 3.737 20 0 CHADMN CCCOc1ccc2c(c1)CCN([C@@H](C)c1ccncc1)C2 ZINC000676710288 1121459245 /nfs/dbraw/zinc/45/92/45/1121459245.db2.gz AQNFNZASTQMVDY-HNNXBMFYSA-N 0 1 296.414 3.990 20 0 CHADMN Cc1cc(C)c(/C=C/CNCc2cc(C)ncn2)c(C)c1 ZINC000631100765 1128985732 /nfs/dbraw/zinc/98/57/32/1128985732.db2.gz DBAMRNIJULRLEQ-AATRIKPKSA-N 0 1 281.403 3.513 20 0 CHADMN CSCCN(C)Cc1cc(OC(F)(F)F)ccc1F ZINC001143551398 1121466331 /nfs/dbraw/zinc/46/63/31/1121466331.db2.gz WVOYGENZVATQJS-UHFFFAOYSA-N 0 1 297.317 3.519 20 0 CHADMN Cc1ncoc1C[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000894087407 1121467795 /nfs/dbraw/zinc/46/77/95/1121467795.db2.gz YVGWNYMIFYIUDF-SFHVURJKSA-N 0 1 284.403 3.828 20 0 CHADMN C[C@@H](C[N@@H+](CC(=O)[O-])Cc1ccccc1)CC(C)(C)C ZINC000709130743 1121468292 /nfs/dbraw/zinc/46/82/92/1121468292.db2.gz WFKSCVPZCZCRHX-CQSZACIVSA-N 0 1 277.408 3.646 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2cc3n(n2)CCCC3)c(C)c1 ZINC000647286228 1121470048 /nfs/dbraw/zinc/47/00/48/1121470048.db2.gz FHVDWUNBRDIMIX-INIZCTEOSA-N 0 1 297.446 3.995 20 0 CHADMN COc1cc(C)nc(CN(C)Cc2cccc(C)c2C)c1 ZINC000428727479 1121474160 /nfs/dbraw/zinc/47/41/60/1121474160.db2.gz YEWPKNSBNUUGSP-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN C[C@@H](NCc1ccnn1CC1CCC1)c1ccsc1 ZINC000631128513 1128986865 /nfs/dbraw/zinc/98/68/65/1128986865.db2.gz NMMSSTWKLKIHSY-GFCCVEGCSA-N 0 1 275.421 3.596 20 0 CHADMN CCOCOc1ccc(CN2CC(C)(CC(F)F)C2)cc1 ZINC000843424729 1121480434 /nfs/dbraw/zinc/48/04/34/1121480434.db2.gz GVONSDHGCYHYAI-UHFFFAOYSA-N 0 1 299.361 3.537 20 0 CHADMN C[C@@H]1CCC(=Cc2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000545726503 1121480793 /nfs/dbraw/zinc/48/07/93/1121480793.db2.gz UHPIBCWFGHLDTN-UEUZTHOGSA-N 0 1 280.331 3.816 20 0 CHADMN COc1ccc(Cl)cc1CN1CCCC(F)(F)CC1 ZINC000625767459 1121489219 /nfs/dbraw/zinc/48/92/19/1121489219.db2.gz RRVMSFJWDVKLSJ-UHFFFAOYSA-N 0 1 289.753 3.970 20 0 CHADMN Fc1cc(F)c(CN2CCC[C@@H]2C2CCC2)cc1F ZINC000512609812 1121492846 /nfs/dbraw/zinc/49/28/46/1121492846.db2.gz QXSMSMFKXWKKOF-OAHLLOKOSA-N 0 1 269.310 3.868 20 0 CHADMN C[C@H](NCc1nc(C(C)(C)C)cs1)[C@@H]1CC1(F)F ZINC000631162718 1128988329 /nfs/dbraw/zinc/98/83/29/1128988329.db2.gz FLZQWZJPSKOUAO-IUCAKERBSA-N 0 1 274.380 3.574 20 0 CHADMN N#Cc1ccc(F)c(CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000192355160 1128988341 /nfs/dbraw/zinc/98/83/41/1128988341.db2.gz HMRJPVACCLNXNO-KRWDZBQOSA-N 0 1 296.345 3.570 20 0 CHADMN CCCC[C@@H](C(=O)OC)N1CCC[C@@H]1c1cccs1 ZINC000432981029 1121501259 /nfs/dbraw/zinc/50/12/59/1121501259.db2.gz ZMDBNMVSBWQSJY-OLZOCXBDSA-N 0 1 281.421 3.617 20 0 CHADMN Clc1ccc(Cl)c(CN[C@@H]2COC3(CCC3)C2)c1 ZINC000711231430 1121503058 /nfs/dbraw/zinc/50/30/58/1121503058.db2.gz YUNQGHKMUORVSK-LBPRGKRZSA-N 0 1 286.202 3.795 20 0 CHADMN CCc1onc(C)c1CNCc1cc(C)c2ncccc2c1 ZINC000922984325 1121504040 /nfs/dbraw/zinc/50/40/40/1121504040.db2.gz ZNXDYNMQJUNTDG-UHFFFAOYSA-N 0 1 295.386 3.692 20 0 CHADMN C[C@@H](N[C@@H]1CC2CCC1CC2)c1noc(-c2ccccc2)n1 ZINC000432986621 1121504415 /nfs/dbraw/zinc/50/44/15/1121504415.db2.gz RPNSWOHXPDMEOB-UWLZSVRSSA-N 0 1 297.402 3.966 20 0 CHADMN CCc1onc(C)c1CNCc1ccc(OC(C)C)cc1 ZINC000922989070 1121507509 /nfs/dbraw/zinc/50/75/09/1121507509.db2.gz YNYJYDGYDKUPEG-UHFFFAOYSA-N 0 1 288.391 3.622 20 0 CHADMN CCc1noc([C@H](C)N2C[C@@H](c3ccccc3)C[C@@H]2C)n1 ZINC000246739566 1121510091 /nfs/dbraw/zinc/51/00/91/1121510091.db2.gz IJINNIAHFSLOFV-YDHLFZDLSA-N 0 1 285.391 3.571 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2ncccc2C(F)(F)F)C1 ZINC000429288715 1121510322 /nfs/dbraw/zinc/51/03/22/1121510322.db2.gz BAKOQGFTHIJKMN-LBPRGKRZSA-N 0 1 286.341 3.968 20 0 CHADMN O=C1C[C@]2(CCCN(CC3=CCCC3)C2)Oc2ccccc21 ZINC000625806965 1121512396 /nfs/dbraw/zinc/51/23/96/1121512396.db2.gz UMBCWPULAVVNNP-IBGZPJMESA-N 0 1 297.398 3.597 20 0 CHADMN C[C@]1(NCc2cccc(F)c2)CCOc2ccccc21 ZINC000923026184 1121515534 /nfs/dbraw/zinc/51/55/34/1121515534.db2.gz RZKMCYCXKDNSBA-KRWDZBQOSA-N 0 1 271.335 3.613 20 0 CHADMN CCOc1cccc(CN[C@]2(C)CCOc3ccccc32)c1 ZINC000923027147 1121516345 /nfs/dbraw/zinc/51/63/45/1121516345.db2.gz ZVAPMMVAAHKOIY-LJQANCHMSA-N 0 1 297.398 3.873 20 0 CHADMN COC(=O)c1cccc(Cl)c1CN(C)[C@H](C)C(C)C ZINC000509293345 1121518059 /nfs/dbraw/zinc/51/80/59/1121518059.db2.gz ICJWVRPHJFBZGY-LLVKDONJSA-N 0 1 283.799 3.603 20 0 CHADMN c1ccc(-c2cccnc2Nc2ccc3nn[nH]c3c2)cc1 ZINC001175999244 1121519715 /nfs/dbraw/zinc/51/97/15/1121519715.db2.gz PBVYWSUIEMFFGX-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1ccc(-c2cccnc2Nc2ccc3n[nH]nc3c2)cc1 ZINC001175999244 1121519719 /nfs/dbraw/zinc/51/97/19/1121519719.db2.gz PBVYWSUIEMFFGX-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN Clc1cnc2cc(Nc3ccc4nn[nH]c4c3)ccc2c1 ZINC001176003248 1121520194 /nfs/dbraw/zinc/52/01/94/1121520194.db2.gz PHSMOGIDSGYDMQ-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1cnc2cc(Nc3ccc4n[nH]nc4c3)ccc2c1 ZINC001176003248 1121520197 /nfs/dbraw/zinc/52/01/97/1121520197.db2.gz PHSMOGIDSGYDMQ-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN c1ccc(N2CCCCC2)c(Nc2ccc3nn[nH]c3c2)c1 ZINC001176006278 1121520393 /nfs/dbraw/zinc/52/03/93/1121520393.db2.gz ZPKABDVCPLWDMD-UHFFFAOYSA-N 0 1 293.374 3.692 20 0 CHADMN c1ccc(N2CCCCC2)c(Nc2ccc3n[nH]nc3c2)c1 ZINC001176006278 1121520400 /nfs/dbraw/zinc/52/04/00/1121520400.db2.gz ZPKABDVCPLWDMD-UHFFFAOYSA-N 0 1 293.374 3.692 20 0 CHADMN CC(C)C1CCC(N(C)Cc2cn(C(C)(C)C)nn2)CC1 ZINC000433026532 1121520898 /nfs/dbraw/zinc/52/08/98/1121520898.db2.gz GCFAIDOPWKACRO-UHFFFAOYSA-N 0 1 292.471 3.680 20 0 CHADMN c1cc(Nc2ccc3c(c2)CCCC3)cc2[nH]nnc12 ZINC001176003570 1121521248 /nfs/dbraw/zinc/52/12/48/1121521248.db2.gz RAKCMBJXXZOLID-UHFFFAOYSA-N 0 1 264.332 3.580 20 0 CHADMN c1cc(Nc2ccc3c(c2)CCCC3)cc2n[nH]nc12 ZINC001176003570 1121521251 /nfs/dbraw/zinc/52/12/51/1121521251.db2.gz RAKCMBJXXZOLID-UHFFFAOYSA-N 0 1 264.332 3.580 20 0 CHADMN Fc1ccc(Nc2ccc3nn[nH]c3c2)c2ccccc12 ZINC001176003624 1121521450 /nfs/dbraw/zinc/52/14/50/1121521450.db2.gz TWIIXVLJYUKQNF-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Fc1ccc(Nc2ccc3n[nH]nc3c2)c2ccccc12 ZINC001176003624 1121521455 /nfs/dbraw/zinc/52/14/55/1121521455.db2.gz TWIIXVLJYUKQNF-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Brc1cc(CN(C2CC2)C2CC2)cs1 ZINC000625836985 1121521938 /nfs/dbraw/zinc/52/19/38/1121521938.db2.gz BMYYUPNQTFDXSF-UHFFFAOYSA-N 0 1 272.211 3.637 20 0 CHADMN Cc1ccc2cc(Nc3ccc4nn[nH]c4c3)ccc2n1 ZINC001176002888 1121522089 /nfs/dbraw/zinc/52/20/89/1121522089.db2.gz XCYIZLUWECMRKH-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1ccc2cc(Nc3ccc4n[nH]nc4c3)ccc2n1 ZINC001176002888 1121522093 /nfs/dbraw/zinc/52/20/93/1121522093.db2.gz XCYIZLUWECMRKH-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Fc1ccc(OCc2ccccc2)cc1Nc1ncc[nH]1 ZINC001176085595 1121534450 /nfs/dbraw/zinc/53/44/50/1121534450.db2.gz LKBOXFSZSZICSS-UHFFFAOYSA-N 0 1 283.306 3.871 20 0 CHADMN FC(F)(F)SCCN1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001176086838 1121534637 /nfs/dbraw/zinc/53/46/37/1121534637.db2.gz NIOVQDQCEVGCRY-QWHCGFSZSA-N 0 1 287.350 3.513 20 0 CHADMN Fc1c(Br)cc(Cl)cc1Nc1ncc[nH]1 ZINC001176091324 1121536704 /nfs/dbraw/zinc/53/67/04/1121536704.db2.gz XUAIFEPQPXPNPC-UHFFFAOYSA-N 0 1 290.523 3.708 20 0 CHADMN CC(C)c1cnc(CN(C)[C@@H]2CC[C@@H](C)C2)s1 ZINC000433052126 1121538973 /nfs/dbraw/zinc/53/89/73/1121538973.db2.gz KYBIPNGLFKKWGW-VXGBXAGGSA-N 0 1 252.427 3.887 20 0 CHADMN CCCN(CC1CC1)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000022099169 1121541672 /nfs/dbraw/zinc/54/16/72/1121541672.db2.gz CPBWQGRIWDHJAT-UHFFFAOYSA-N 0 1 297.402 3.647 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CC1CCC2(CC2)CC1 ZINC000923249265 1121546978 /nfs/dbraw/zinc/54/69/78/1121546978.db2.gz KPCZTHXJLUHCNK-HNNXBMFYSA-N 0 1 279.424 3.676 20 0 CHADMN Cc1ncc([C@H](C)NCc2cc(-c3ccccc3)n[nH]2)s1 ZINC000631223631 1128992923 /nfs/dbraw/zinc/99/29/23/1128992923.db2.gz DLRIYPWOMGUNSO-NSHDSACASA-N 0 1 298.415 3.692 20 0 CHADMN Clc1cc(Cl)c(NC2=CCOCC2)c(Cl)n1 ZINC001176141610 1121548674 /nfs/dbraw/zinc/54/86/74/1121548674.db2.gz BFWWVSBMDHDGHB-UHFFFAOYSA-N 0 1 279.554 3.758 20 0 CHADMN Cc1ccoc1CN(C)CCO[C@H]1CCCC[C@@H]1C ZINC000429374427 1121552653 /nfs/dbraw/zinc/55/26/53/1121552653.db2.gz COYRCWVXCPYFQI-ZFWWWQNUSA-N 0 1 265.397 3.615 20 0 CHADMN CC(=O)c1ccc(OC[C@H]2CCCCN2C(C)C)c(F)c1 ZINC000663968544 1121553003 /nfs/dbraw/zinc/55/30/03/1121553003.db2.gz GBUSVGBWDKYAOH-OAHLLOKOSA-N 0 1 293.382 3.670 20 0 CHADMN CCSc1ccccc1C[C@@H](C)NCc1cscn1 ZINC000924871283 1121555396 /nfs/dbraw/zinc/55/53/96/1121555396.db2.gz IQQWBGJKMKWSNS-GFCCVEGCSA-N 0 1 292.473 3.976 20 0 CHADMN Cc1cccc(-c2noc(CN3CC[C@H](CC(C)C)C3)n2)c1 ZINC000466707909 1121559641 /nfs/dbraw/zinc/55/96/41/1121559641.db2.gz OTAPSIBTIMRMBR-OAHLLOKOSA-N 0 1 299.418 3.913 20 0 CHADMN C[C@H]1CCCC[C@H]1COc1ccccc1-c1nnc[nH]1 ZINC000663988398 1121563311 /nfs/dbraw/zinc/56/33/11/1121563311.db2.gz GGAFZQPWZOQPGJ-STQMWFEESA-N 0 1 271.364 3.677 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)N1CCO[C@H](CCF)C1 ZINC000626002835 1121572581 /nfs/dbraw/zinc/57/25/81/1121572581.db2.gz VPJFHSFPSPMQQV-KBXCAEBGSA-N 0 1 287.378 3.961 20 0 CHADMN Cc1ccc(CNCc2ccc(OCC(F)F)cc2)o1 ZINC000631244026 1128994448 /nfs/dbraw/zinc/99/44/48/1128994448.db2.gz VPWMIVUMCVCQIT-UHFFFAOYSA-N 0 1 281.302 3.522 20 0 CHADMN Cc1ccc2ccccc2c1CN1CCO[C@@H](CCF)C1 ZINC000626003302 1121573820 /nfs/dbraw/zinc/57/38/20/1121573820.db2.gz FXVGFOQUMPJBKR-INIZCTEOSA-N 0 1 287.378 3.709 20 0 CHADMN CC[C@@H](CC(F)F)CN1Cc2cccc(OC)c2C1 ZINC000626023567 1121581619 /nfs/dbraw/zinc/58/16/19/1121581619.db2.gz LEGDUAGOWOKKQU-NSHDSACASA-N 0 1 269.335 3.692 20 0 CHADMN COc1ccc(F)c(CNCc2c(C)cccc2C)c1 ZINC000645165606 1121598161 /nfs/dbraw/zinc/59/81/61/1121598161.db2.gz VWDKNUYEBGQUPC-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN COc1cc(Cl)cc(Nc2nnc(-c3ccco3)o2)c1 ZINC001176344069 1121602649 /nfs/dbraw/zinc/60/26/49/1121602649.db2.gz ZSGUKTNAHUAQFY-UHFFFAOYSA-N 0 1 291.694 3.735 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512801318 1121603168 /nfs/dbraw/zinc/60/31/68/1121603168.db2.gz LGOIJZRRRFPRCG-NXEZZACHSA-N 0 1 291.288 3.587 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CC[C@@H](COC(F)F)C1 ZINC000512801318 1121603170 /nfs/dbraw/zinc/60/31/70/1121603170.db2.gz LGOIJZRRRFPRCG-NXEZZACHSA-N 0 1 291.288 3.587 20 0 CHADMN CCC[C@H](C)CCNC(=O)c1ccc(Cl)c(O)c1 ZINC001176312581 1121607200 /nfs/dbraw/zinc/60/72/00/1121607200.db2.gz MFZMDBBQIXNQPT-JTQLQIEISA-N 0 1 269.772 3.602 20 0 CHADMN [O-]c1cccc(C[NH2+]CCCc2ccccc2F)c1Cl ZINC000645177815 1121607952 /nfs/dbraw/zinc/60/79/52/1121607952.db2.gz IYWUFQLAGPPNIM-UHFFFAOYSA-N 0 1 293.769 3.907 20 0 CHADMN CCOc1ccc2nc(SCc3ccncc3)[nH]c2c1 ZINC000077896160 1121612145 /nfs/dbraw/zinc/61/21/45/1121612145.db2.gz IDFNLWVJWQCIFZ-UHFFFAOYSA-N 0 1 285.372 3.649 20 0 CHADMN Fc1ccccc1[C@@]1(F)CCN(CCC2CCOCC2)C1 ZINC000433186912 1121614993 /nfs/dbraw/zinc/61/49/93/1121614993.db2.gz LZFVSLVZHXFEBE-QGZVFWFLSA-N 0 1 295.373 3.513 20 0 CHADMN C[C@H]1CC2(CCC2)CN1Cc1nc2cc(F)ccc2o1 ZINC000433237506 1121624125 /nfs/dbraw/zinc/62/41/25/1121624125.db2.gz XNHBPLHJAHJFFR-NSHDSACASA-N 0 1 274.339 3.731 20 0 CHADMN Cc1nc([C@@H](C)N2CC3(CCCC3)[C@@H]2c2ccccc2)n[nH]1 ZINC000411812841 1121627523 /nfs/dbraw/zinc/62/75/23/1121627523.db2.gz AFLGKPGKSOHUOC-CJNGLKHVSA-N 0 1 296.418 3.791 20 0 CHADMN Cc1ccc(CC=Nc2noc3cnccc32)cc1 ZINC001176424225 1121631736 /nfs/dbraw/zinc/63/17/36/1121631736.db2.gz RSMVLEGYWIOKGW-RMKNXTFCSA-N 0 1 251.289 3.614 20 0 CHADMN c1cc(CN(Cc2ccc3cnccc3c2)C2CC2)co1 ZINC001176504664 1121641728 /nfs/dbraw/zinc/64/17/28/1121641728.db2.gz GLEINVVVUKGQAN-UHFFFAOYSA-N 0 1 278.355 3.992 20 0 CHADMN COC(=O)c1coc(CN[C@H](CC2CC2)c2ccccc2)c1 ZINC000611395344 1121643320 /nfs/dbraw/zinc/64/33/20/1121643320.db2.gz GQRBKRTYNRYLEA-QGZVFWFLSA-N 0 1 299.370 3.697 20 0 CHADMN CCS[C@@H]1CC[C@H](N(C)Cc2ncc(C(C)C)o2)C1 ZINC000076067777 1129001218 /nfs/dbraw/zinc/00/12/18/1129001218.db2.gz GKUTXTFSZDYZFS-QWHCGFSZSA-N 0 1 282.453 3.904 20 0 CHADMN CC[C@H](NCc1nc(Cc2ccccc2)no1)[C@H]1CC1(C)C ZINC000419321383 1121650035 /nfs/dbraw/zinc/65/00/35/1121650035.db2.gz RAXUTJNYYLYYOZ-CABCVRRESA-N 0 1 299.418 3.575 20 0 CHADMN CC(C)c1nnc(CN(C)[C@H]2CCC[C@@H]2C(C)(C)C)o1 ZINC000419326021 1121656642 /nfs/dbraw/zinc/65/66/42/1121656642.db2.gz LNWHBZHWPNRIQV-STQMWFEESA-N 0 1 279.428 3.840 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2c(F)ccc(O)c2F)C1 ZINC000512994030 1121659672 /nfs/dbraw/zinc/65/96/72/1121659672.db2.gz WUVAWDIPYDKBQZ-NSHDSACASA-N 0 1 269.335 3.538 20 0 CHADMN CC1(C)SC[C@H]1N[C@H](c1ccccc1)c1ccccn1 ZINC000283423862 1121665821 /nfs/dbraw/zinc/66/58/21/1121665821.db2.gz RURBDRFLZIQNCI-HZPDHXFCSA-N 0 1 284.428 3.655 20 0 CHADMN O=c1cc(Nc2ccc(-c3ccncc3)cc2)nc(Cl)[nH]1 ZINC001176697100 1121676490 /nfs/dbraw/zinc/67/64/90/1121676490.db2.gz IDEOWHGJQFDJDL-UHFFFAOYSA-N 0 1 298.733 3.641 20 0 CHADMN Cn1cc(CN[C@@H]2CCCc3ccc(F)cc32)c(C2CC2)n1 ZINC000894160413 1121679461 /nfs/dbraw/zinc/67/94/61/1121679461.db2.gz AQAPJVYFNZQSCQ-QGZVFWFLSA-N 0 1 299.393 3.604 20 0 CHADMN CCC1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000052279977 1121682842 /nfs/dbraw/zinc/68/28/42/1121682842.db2.gz UMHXQNSTIBSUIL-CYBMUJFWSA-N 0 1 285.391 3.920 20 0 CHADMN CC(C)CCN(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000052245572 1121698103 /nfs/dbraw/zinc/69/81/03/1121698103.db2.gz ZBQHMXPLZDRAHB-UHFFFAOYSA-N 0 1 293.798 3.868 20 0 CHADMN CCC[C@](C)(NCc1nc(CC)cc(=O)[nH]1)c1ccccc1 ZINC001176891866 1121698574 /nfs/dbraw/zinc/69/85/74/1121698574.db2.gz NYQGTHLYRLBZGW-SFHVURJKSA-N 0 1 299.418 3.550 20 0 CHADMN CCc1ccc2c(c1)CCN([C@@H](C)c1ccccn1)C2 ZINC001177008497 1121705982 /nfs/dbraw/zinc/70/59/82/1121705982.db2.gz KWZNEQFCZHFSKA-AWEZNQCLSA-N 0 1 266.388 3.763 20 0 CHADMN CCN(CCc1cccs1)Cc1c(C)nn(C)c1Cl ZINC000727222471 1121707412 /nfs/dbraw/zinc/70/74/12/1121707412.db2.gz OYDSLHURHURKHA-UHFFFAOYSA-N 0 1 297.855 3.508 20 0 CHADMN CCCCN(C(=O)CCc1cnc[nH]1)[C@H](C)c1ccccc1 ZINC000279601848 1121710200 /nfs/dbraw/zinc/71/02/00/1121710200.db2.gz DQNDTFYIWGOXEF-OAHLLOKOSA-N 0 1 299.418 3.732 20 0 CHADMN CCCn1cc(CNCc2cccc(Cl)c2)c(C)n1 ZINC001177098881 1121712711 /nfs/dbraw/zinc/71/27/11/1121712711.db2.gz RUSKEMRGXHDICF-UHFFFAOYSA-N 0 1 277.799 3.545 20 0 CHADMN C[C@@]12CCN(Cc3cc4c(cccc4F)[nH]3)C[C@@H]1C2(F)F ZINC000430087366 1121714905 /nfs/dbraw/zinc/71/49/05/1121714905.db2.gz HABUQIBEQJZODE-LSDHHAIUSA-N 0 1 294.320 3.784 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CCCCCCC1 ZINC000727433614 1121719471 /nfs/dbraw/zinc/71/94/71/1121719471.db2.gz AJJMQHXBEJDMRQ-UHFFFAOYSA-N 0 1 289.398 3.961 20 0 CHADMN Cc1ccc(C[NH2+]Cc2c[nH]c(-c3ccccc3)n2)c(C)c1 ZINC001177323204 1121724529 /nfs/dbraw/zinc/72/45/29/1121724529.db2.gz GQZOUDLDVWUFNE-UHFFFAOYSA-N 0 1 291.398 3.983 20 0 CHADMN COCCCCN(C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000419388591 1121729978 /nfs/dbraw/zinc/72/99/78/1121729978.db2.gz SEKAOGTZUBAURY-CQSZACIVSA-N 0 1 288.391 3.761 20 0 CHADMN C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[C@H](C)C1 ZINC000052635188 1121733813 /nfs/dbraw/zinc/73/38/13/1121733813.db2.gz HWFMUHCTDIGDRO-STQMWFEESA-N 0 1 271.364 3.530 20 0 CHADMN C[C@H]1c2ccsc2CCN1CCOc1ccccc1F ZINC000057645240 1121737690 /nfs/dbraw/zinc/73/76/90/1121737690.db2.gz QLMLTPGFKPLRDK-LBPRGKRZSA-N 0 1 291.391 3.885 20 0 CHADMN CCc1cccc2c1OCC[C@H]2NCc1scnc1C ZINC001177757799 1121748312 /nfs/dbraw/zinc/74/83/12/1121748312.db2.gz DIUITBOOWWKREM-CQSZACIVSA-N 0 1 288.416 3.627 20 0 CHADMN Clc1cscc1CNC[C@H]1OCCc2ccccc21 ZINC001177816313 1121749292 /nfs/dbraw/zinc/74/92/92/1121749292.db2.gz KEVXDYJEGFMMOV-OAHLLOKOSA-N 0 1 293.819 3.805 20 0 CHADMN CCc1cc(CNCc2ccc(-c3ccccc3)cc2)[nH]n1 ZINC001177810082 1121752889 /nfs/dbraw/zinc/75/28/89/1121752889.db2.gz GPXXXTXAPXTJRZ-UHFFFAOYSA-N 0 1 291.398 3.929 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(F)cc2F)CCC1(F)F ZINC001204208500 1121763994 /nfs/dbraw/zinc/76/39/94/1121763994.db2.gz RGJNVDGWNOQSQA-SNVBAGLBSA-N 0 1 275.289 3.832 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN[C@H]1CCC(F)(F)C1 ZINC001177995493 1121764191 /nfs/dbraw/zinc/76/41/91/1121764191.db2.gz KDFYZOOXSRZEBZ-JTQLQIEISA-N 0 1 298.358 3.989 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cc3nc(CC(C)C)no3)C2)cc1 ZINC000544190630 1121764437 /nfs/dbraw/zinc/76/44/37/1121764437.db2.gz KKLXYVOATRZKQZ-MRXNPFEDSA-N 0 1 299.418 3.566 20 0 CHADMN CC(C)c1cc(CN[C@H]2CCc3ccccc32)on1 ZINC000169225427 1121773218 /nfs/dbraw/zinc/77/32/18/1121773218.db2.gz VYFZHZRKJQYWSZ-HNNXBMFYSA-N 0 1 256.349 3.575 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cc(F)ccc2F)CC1 ZINC001204214285 1121776333 /nfs/dbraw/zinc/77/63/33/1121776333.db2.gz UCTIQGUMWCEXRH-CQSZACIVSA-N 0 1 257.299 3.679 20 0 CHADMN c1ccc2nc(CN[C@H]3CCCc4ncccc43)ccc2c1 ZINC000631573489 1129008414 /nfs/dbraw/zinc/00/84/14/1129008414.db2.gz MLMXNXPXXGVWSO-IBGZPJMESA-N 0 1 289.382 3.797 20 0 CHADMN Cc1ncc(CN[C@@H]2CCCOc3c(F)cccc32)s1 ZINC001178346054 1121780471 /nfs/dbraw/zinc/78/04/71/1121780471.db2.gz FCIGYJYYJCRZID-CQSZACIVSA-N 0 1 292.379 3.594 20 0 CHADMN COc1ccnc(NCc2cc(C)c(C)cc2C)c1 ZINC001178382197 1121781534 /nfs/dbraw/zinc/78/15/34/1121781534.db2.gz CWWMLIQXZZPBPI-UHFFFAOYSA-N 0 1 256.349 3.628 20 0 CHADMN CCN(CC1CC1)Cn1c2ccccc2oc1=S ZINC000261461315 1121792454 /nfs/dbraw/zinc/79/24/54/1121792454.db2.gz MEEFSRBKURYRSQ-UHFFFAOYSA-N 0 1 262.378 3.653 20 0 CHADMN c1ccc2c(c1)SC[C@H]2N[C@H]1CCCc2ncccc21 ZINC000631583149 1129009499 /nfs/dbraw/zinc/00/94/99/1129009499.db2.gz VIFYKLFGMHTVNU-JKSUJKDBSA-N 0 1 282.412 3.896 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@@H]2CCCc3ncccc32)cn1 ZINC000631583686 1129009508 /nfs/dbraw/zinc/00/95/08/1129009508.db2.gz UMUGDHKTUZNLPL-SUMWQHHRSA-N 0 1 284.407 3.587 20 0 CHADMN C[C@@H](NCc1cnsc1)c1cccc(C2CC2)c1 ZINC001178800871 1121816790 /nfs/dbraw/zinc/81/67/90/1121816790.db2.gz MLUYQMZDUUHCLG-LLVKDONJSA-N 0 1 258.390 3.871 20 0 CHADMN Clc1ccc2nc(SCc3ccncc3)[nH]c2c1 ZINC000026440528 1121824323 /nfs/dbraw/zinc/82/43/23/1121824323.db2.gz RQXYRSRUFNBOIS-UHFFFAOYSA-N 0 1 275.764 3.904 20 0 CHADMN c1cc(CNc2ccc3c(c2)nc2n3CCCCC2)sn1 ZINC001178895240 1121826363 /nfs/dbraw/zinc/82/63/63/1121826363.db2.gz AAADOFJBMNPJHP-UHFFFAOYSA-N 0 1 298.415 3.831 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H](C3CCC3)CC2)s1 ZINC000634697873 1129012518 /nfs/dbraw/zinc/01/25/18/1129012518.db2.gz UWKQJKBZJXKZKS-ZDUSSCGKSA-N 0 1 293.432 3.849 20 0 CHADMN C[C@@H](O)[C@@H](NCc1cccc2[nH]ccc21)c1ccccc1F ZINC001179081331 1121847255 /nfs/dbraw/zinc/84/72/55/1121847255.db2.gz FFUSDCRCXQOLBA-KZULUSFZSA-N 0 1 298.361 3.519 20 0 CHADMN CC(C)c1ncc(CNC(=O)c2ccc3sccc3c2)[nH]1 ZINC001179092656 1121850606 /nfs/dbraw/zinc/85/06/06/1121850606.db2.gz UUEDZGKGTKQMPN-UHFFFAOYSA-N 0 1 299.399 3.678 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)CC2(C)CCCC2)n[nH]1 ZINC001179151637 1121854606 /nfs/dbraw/zinc/85/46/06/1121854606.db2.gz DYEHSUBJSGIICE-HNNXBMFYSA-N 0 1 289.423 3.742 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC(C)(C)C2)n[nH]1 ZINC001179151374 1121854855 /nfs/dbraw/zinc/85/48/55/1121854855.db2.gz AMKNSDMRFAYDQF-HIFRSBDPSA-N 0 1 289.423 3.598 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)/C=C\C2CCCC2)n[nH]1 ZINC001179158840 1121855979 /nfs/dbraw/zinc/85/59/79/1121855979.db2.gz CRHTYDZQUVXUEJ-YDZSZYSISA-N 0 1 287.407 3.518 20 0 CHADMN C[C@@H](NCC1(C)CCCC1)c1nc(C(C)(C)C)no1 ZINC000731219420 1121856460 /nfs/dbraw/zinc/85/64/60/1121856460.db2.gz SVFROVZEAWKWBL-LLVKDONJSA-N 0 1 265.401 3.598 20 0 CHADMN CC[C@@H](NCC(=O)Nc1ccc(F)cc1)c1ccsc1 ZINC000297549320 1121861863 /nfs/dbraw/zinc/86/18/63/1121861863.db2.gz FMXJJJHXPROPCM-CQSZACIVSA-N 0 1 292.379 3.567 20 0 CHADMN Cc1c([C@H](C)N[C@@H](c2cccnc2)C2CC2)cnn1C(C)C ZINC000345278342 1121865358 /nfs/dbraw/zinc/86/53/58/1121865358.db2.gz SNQXMWKSQLOZFQ-SCLBCKFNSA-N 0 1 298.434 3.969 20 0 CHADMN Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc2cncn2c1 ZINC001179310523 1121871036 /nfs/dbraw/zinc/87/10/36/1121871036.db2.gz VZZBNMBGUBKYBO-UHFFFAOYSA-N 0 1 297.358 3.786 20 0 CHADMN Cc1ccsc1CN[C@H](C)c1nc2c(s1)CCC2 ZINC000345311547 1121873084 /nfs/dbraw/zinc/87/30/84/1121873084.db2.gz XUIOCLSUFMLBGQ-SNVBAGLBSA-N 0 1 278.446 3.853 20 0 CHADMN CCC1CCC(N(C)Cc2nnc(C(C)(C)C)o2)CC1 ZINC000731667062 1121880129 /nfs/dbraw/zinc/88/01/29/1121880129.db2.gz OKLOEJLPBDYFRI-UHFFFAOYSA-N 0 1 279.428 3.768 20 0 CHADMN [O-]c1cccc(C[NH2+]CC2(CC3CC3)CC2)c1Cl ZINC001179464424 1121881077 /nfs/dbraw/zinc/88/10/77/1121881077.db2.gz PMHUTPKJCCUNGS-UHFFFAOYSA-N 0 1 265.784 3.716 20 0 CHADMN Nc1c(F)cccc1CNc1nc2ccc(Cl)cc2[nH]1 ZINC001179516223 1121883398 /nfs/dbraw/zinc/88/33/98/1121883398.db2.gz UOCNJLQYAFPEST-UHFFFAOYSA-N 0 1 290.729 3.550 20 0 CHADMN COC1(CNc2nc3ccc(Cl)cc3[nH]2)CCCC1 ZINC001179515992 1121883561 /nfs/dbraw/zinc/88/35/61/1121883561.db2.gz ODPJYZXWJJDTSY-UHFFFAOYSA-N 0 1 279.771 3.587 20 0 CHADMN C[C@H]1C[C@H](N[C@@H]2c3ccccc3OC[C@H]2F)C[C@@H](C)C1 ZINC001179579482 1121888665 /nfs/dbraw/zinc/88/86/65/1121888665.db2.gz QPAIUDBYOJYCOV-UYGGMMBNSA-N 0 1 277.383 3.873 20 0 CHADMN c1cc2c(cccc2CNCc2noc3ccccc23)[nH]1 ZINC001179570851 1121888733 /nfs/dbraw/zinc/88/87/33/1121888733.db2.gz OKDUUHJZKPVPHY-UHFFFAOYSA-N 0 1 277.327 3.599 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc3c(c2)CCO3)c(F)c1 ZINC001179695912 1121900571 /nfs/dbraw/zinc/90/05/71/1121900571.db2.gz MKRASHAMCZZDAC-CYBMUJFWSA-N 0 1 285.362 3.920 20 0 CHADMN [O-]c1cc(F)c(CC[NH2+]Cc2ccccc2Cl)c(F)c1 ZINC001179665916 1121901702 /nfs/dbraw/zinc/90/17/02/1121901702.db2.gz ISPMPCYLRXYHHZ-UHFFFAOYSA-N 0 1 297.732 3.656 20 0 CHADMN CCCC1(C(=O)Nc2cc(Cl)c(O)cc2F)CC1 ZINC000345647508 1121902781 /nfs/dbraw/zinc/90/27/81/1121902781.db2.gz BRRPNTYJTXNTIP-UHFFFAOYSA-N 0 1 271.719 3.704 20 0 CHADMN Fc1ccccc1-c1ccc(CNC/C=C\Cl)o1 ZINC001179747352 1121907389 /nfs/dbraw/zinc/90/73/89/1121907389.db2.gz LFQDUCBGPDLHNZ-BAQGIRSFSA-N 0 1 265.715 3.928 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2cc(F)ccc2N(C)C)s1 ZINC001179829414 1121913324 /nfs/dbraw/zinc/91/33/24/1121913324.db2.gz DIABXIHBZHFTMS-JTQLQIEISA-N 0 1 293.411 3.507 20 0 CHADMN CCN(Cc1ccc(F)cn1)[C@H](C)c1ccc(F)cc1 ZINC000345811705 1121919590 /nfs/dbraw/zinc/91/95/90/1121919590.db2.gz MRUIKMVMDGJMNR-GFCCVEGCSA-N 0 1 276.330 3.943 20 0 CHADMN CC(C)(F)CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000631657483 1129018784 /nfs/dbraw/zinc/01/87/84/1129018784.db2.gz DGOHLBBUKPZHOW-CYBMUJFWSA-N 0 1 263.356 3.771 20 0 CHADMN Cc1cccc2nc(NC(=O)Cc3ccc(C)c(F)c3)[nH]c21 ZINC001179932506 1121925554 /nfs/dbraw/zinc/92/55/54/1121925554.db2.gz NFLTVDNKVDRFMN-UHFFFAOYSA-N 0 1 297.333 3.500 20 0 CHADMN CCCc1cccc(CN(CCOC)Cc2ccco2)c1 ZINC001179942137 1121926897 /nfs/dbraw/zinc/92/68/97/1121926897.db2.gz LQDHGZTUYJHXJU-UHFFFAOYSA-N 0 1 287.403 3.881 20 0 CHADMN COC1(CN2CCc3c(F)ccc(F)c3C2)CCCCC1 ZINC001179942167 1121927180 /nfs/dbraw/zinc/92/71/80/1121927180.db2.gz MRHYCCDVYSIZQU-UHFFFAOYSA-N 0 1 295.373 3.672 20 0 CHADMN Cc1nc(C(C)C)sc1[C@H](C)NCC(C)(C)F ZINC000631660031 1129018996 /nfs/dbraw/zinc/01/89/96/1129018996.db2.gz UCBFRAFFRJCVEX-VIFPVBQESA-N 0 1 258.406 3.974 20 0 CHADMN CCOc1ccc(CN(Cc2ccccc2)C2CC2)o1 ZINC001179905918 1121930392 /nfs/dbraw/zinc/93/03/92/1121930392.db2.gz PTMISMQGMNOMKF-UHFFFAOYSA-N 0 1 271.360 3.843 20 0 CHADMN Cc1ccc([C@H]2COCCN2CC(C(C)C)C(C)C)o1 ZINC001179958398 1121937634 /nfs/dbraw/zinc/93/76/34/1121937634.db2.gz ZLIARYSJLCZQSW-MRXNPFEDSA-N 0 1 279.424 3.890 20 0 CHADMN CS[C@@H]1CC[C@@H](N(C)Cc2c(F)cc(C)cc2F)C1 ZINC001180071616 1121945583 /nfs/dbraw/zinc/94/55/83/1121945583.db2.gz DFIUCYLRVOEEQI-VXGBXAGGSA-N 0 1 285.403 3.989 20 0 CHADMN CC[C@@H](C)N1CC=C(c2c(F)cccc2F)CC1 ZINC000501058197 1121948290 /nfs/dbraw/zinc/94/82/90/1121948290.db2.gz YZQMBWACIUSHJI-LLVKDONJSA-N 0 1 251.320 3.852 20 0 CHADMN CC(C)OCCN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732989705 1121950305 /nfs/dbraw/zinc/95/03/05/1121950305.db2.gz TZZZNEDGWFQBMH-OAHLLOKOSA-N 0 1 269.335 3.527 20 0 CHADMN C[C@H](NC[C@@]1(O)CCCC(C)(C)CC1)c1nccs1 ZINC000631679695 1129020742 /nfs/dbraw/zinc/02/07/42/1129020742.db2.gz LTSRFNNPGUHKGU-SWLSCSKDSA-N 0 1 282.453 3.515 20 0 CHADMN C[C@@H](NC[C@@]1(O)CCCC(C)(C)CC1)c1nccs1 ZINC000631679693 1129021190 /nfs/dbraw/zinc/02/11/90/1129021190.db2.gz LTSRFNNPGUHKGU-IUODEOHRSA-N 0 1 282.453 3.515 20 0 CHADMN c1cc(CNc2ccc3c(c2)nc2n3CCCCC2)c[nH]1 ZINC000419741485 1121964562 /nfs/dbraw/zinc/96/45/62/1121964562.db2.gz MJWLXENPRDFGKR-UHFFFAOYSA-N 0 1 280.375 3.703 20 0 CHADMN CCn1cc(CN[C@H](C)c2ccc(SC)cc2)c(C)n1 ZINC000894245870 1121969312 /nfs/dbraw/zinc/96/93/12/1121969312.db2.gz NFYVKXRXUHEGFZ-GFCCVEGCSA-N 0 1 289.448 3.784 20 0 CHADMN Cc1ccc(Br)c(F)c1CN1CC[C@@H](C)C1 ZINC001180267145 1121969661 /nfs/dbraw/zinc/96/96/61/1121969661.db2.gz PLLDEPLQCRTSSF-SECBINFHSA-N 0 1 286.188 3.738 20 0 CHADMN Cc1cccc(CN(C)CCN(C)c2ccccc2)c1F ZINC001180261869 1121970637 /nfs/dbraw/zinc/97/06/37/1121970637.db2.gz CBRWCYJITIIJGS-UHFFFAOYSA-N 0 1 286.394 3.702 20 0 CHADMN CC(C)CCCN(C)CC(=O)Nc1cccc(Cl)c1 ZINC001180271569 1121971949 /nfs/dbraw/zinc/97/19/49/1121971949.db2.gz NYKBBBUNEUCAOE-UHFFFAOYSA-N 0 1 282.815 3.647 20 0 CHADMN CC(C)c1cnc(CN(C)[C@H]2CCC[C@H](C)C2)o1 ZINC000733306759 1121972766 /nfs/dbraw/zinc/97/27/66/1121972766.db2.gz FILJNTYNFAWONV-STQMWFEESA-N 0 1 250.386 3.809 20 0 CHADMN C[C@]1(F)CCN(CCCOc2cccc(Cl)c2)C1 ZINC000501391845 1121973782 /nfs/dbraw/zinc/97/37/82/1121973782.db2.gz IBHLDXMRMHUOTK-AWEZNQCLSA-N 0 1 271.763 3.543 20 0 CHADMN CCC1(C)CCN(Cc2ncc(C(C)C)o2)CC1 ZINC000733309180 1121974834 /nfs/dbraw/zinc/97/48/34/1121974834.db2.gz DMJVBGYHCKDWMG-UHFFFAOYSA-N 0 1 250.386 3.810 20 0 CHADMN CC[C@H]1CN(Cc2cc3ccccc3c(OC)c2)C[C@@H](C)O1 ZINC001180281234 1121974850 /nfs/dbraw/zinc/97/48/50/1121974850.db2.gz ZMKOMCHLJYOJBH-PBHICJAKSA-N 0 1 299.414 3.848 20 0 CHADMN CCCOc1ccc(CN2C[C@@H](C)O[C@@H](CC)C2)c(C)c1 ZINC001180279946 1121974942 /nfs/dbraw/zinc/97/49/42/1121974942.db2.gz FARFOYNXUSGJGR-WBVHZDCISA-N 0 1 291.435 3.783 20 0 CHADMN CO[C@@H](CN[C@H](C)c1cccc(Cl)c1)C(F)(F)F ZINC000733323686 1121975920 /nfs/dbraw/zinc/97/59/20/1121975920.db2.gz NDIUZGZDRODTNK-KCJUWKMLSA-N 0 1 281.705 3.568 20 0 CHADMN CSCc1cccc(CNCc2ccoc2C)c1 ZINC000414435463 1121976417 /nfs/dbraw/zinc/97/64/17/1121976417.db2.gz NQJSAEAXGBEVTD-UHFFFAOYSA-N 0 1 261.390 3.741 20 0 CHADMN C[C@@]1(F)CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000501433532 1121977444 /nfs/dbraw/zinc/97/74/44/1121977444.db2.gz HCYGECHMNSZWTM-CYBMUJFWSA-N 0 1 291.288 3.518 20 0 CHADMN C[C@@]1(F)CCN(CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000501433532 1121977451 /nfs/dbraw/zinc/97/74/51/1121977451.db2.gz HCYGECHMNSZWTM-CYBMUJFWSA-N 0 1 291.288 3.518 20 0 CHADMN Cc1cc(CN[C@H]2c3ccccc3CCC[C@H]2C)nn1C ZINC000414438177 1121980328 /nfs/dbraw/zinc/98/03/28/1121980328.db2.gz UWMUEHAUTRDBGV-FZKQIMNGSA-N 0 1 283.419 3.532 20 0 CHADMN CC(C)[C@@H]1CN(Cc2cccc(-c3ccncc3)c2)CCO1 ZINC000353161381 1121981604 /nfs/dbraw/zinc/98/16/04/1121981604.db2.gz CUJCSPZGERLXNE-IBGZPJMESA-N 0 1 296.414 3.605 20 0 CHADMN Cc1cc(CN[C@H]2c3ccccc3CC[C@@H]2C(C)C)nn1C ZINC000414440949 1121983259 /nfs/dbraw/zinc/98/32/59/1121983259.db2.gz ZAQHBIHGQHMYRQ-IEBWSBKVSA-N 0 1 297.446 3.778 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](C)c2ccc(C)nc2C)s1 ZINC000631706694 1129022909 /nfs/dbraw/zinc/02/29/09/1129022909.db2.gz AHOCNMACWNBYQB-RYUDHWBXSA-N 0 1 275.421 3.875 20 0 CHADMN C[C@H](CCc1ccco1)N=c1nc(-c2ccccc2)[nH]s1 ZINC000501562776 1121987119 /nfs/dbraw/zinc/98/71/19/1121987119.db2.gz BISBPXKPRDRAAG-GFCCVEGCSA-N 0 1 299.399 3.653 20 0 CHADMN Cc1nccc(N2CCC(C(F)(F)F)CC2)c1Cl ZINC000353161699 1121987751 /nfs/dbraw/zinc/98/77/51/1121987751.db2.gz FJFPDPSNVJZOQB-UHFFFAOYSA-N 0 1 278.705 3.822 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H]1C=CCCC1 ZINC000733448013 1121990287 /nfs/dbraw/zinc/99/02/87/1121990287.db2.gz PQLWNBUBKKONRM-AWEZNQCLSA-N 0 1 282.343 3.651 20 0 CHADMN Cc1cccc2nc(NC(=O)Cc3ccc(C)c(C)c3)[nH]c21 ZINC001180458526 1121992131 /nfs/dbraw/zinc/99/21/31/1121992131.db2.gz ABKFRCJBOSMTEL-UHFFFAOYSA-N 0 1 293.370 3.669 20 0 CHADMN COc1cncc(CN(C)Cc2ccc(Cl)cc2)c1C ZINC001180531735 1121994875 /nfs/dbraw/zinc/99/48/75/1121994875.db2.gz JMWPVYXFXRBVHN-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cnn(C2CCCC2)c1 ZINC000631753960 1129027820 /nfs/dbraw/zinc/02/78/20/1129027820.db2.gz WXWMOALFGHNYIA-OASPWFOLSA-N 0 1 287.329 3.600 20 0 CHADMN CCCn1nccc1CN1CCC[C@H]1c1ccc(C)cc1 ZINC001180540698 1121998369 /nfs/dbraw/zinc/99/83/69/1121998369.db2.gz NXLRNMCKPQIVRA-SFHVURJKSA-N 0 1 283.419 3.939 20 0 CHADMN CCc1ccc([C@H](C)NCc2cccc3c2CCOC3)o1 ZINC000631729461 1129024325 /nfs/dbraw/zinc/02/43/25/1129024325.db2.gz MZCNNDTYXIHCJJ-ZDUSSCGKSA-N 0 1 285.387 3.766 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2)[C@H](C)CO1 ZINC000501759587 1122005515 /nfs/dbraw/zinc/00/55/15/1122005515.db2.gz YXXXHXBPZCLDNP-ZIAGYGMSSA-N 0 1 261.409 3.593 20 0 CHADMN CCC[C@@H](NCc1cccc(F)c1F)c1cccnc1 ZINC000631725768 1129024691 /nfs/dbraw/zinc/02/46/91/1129024691.db2.gz JJNUIWCSRNFNJW-OAHLLOKOSA-N 0 1 276.330 3.991 20 0 CHADMN COc1cc(CN(C)Cc2cccnc2)cc2ccccc21 ZINC001180723658 1122012026 /nfs/dbraw/zinc/01/20/26/1122012026.db2.gz MILDRJPVWNGVQM-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN Cc1[nH]nc2cc(Cc3c(F)cccc3F)ccc12 ZINC001249987802 1122017373 /nfs/dbraw/zinc/01/73/73/1122017373.db2.gz OJARTMOWJTTYPL-UHFFFAOYSA-N 0 1 258.271 3.740 20 0 CHADMN COc1cccc2c1CCN(C/C=C\c1ccc(F)cc1)C2 ZINC001180802120 1122018184 /nfs/dbraw/zinc/01/81/84/1122018184.db2.gz MUEZFNDWCWWWPI-ARJAWSKDSA-N 0 1 297.373 3.906 20 0 CHADMN CCC[C@@H](NCc1ccnc(C)c1)c1cc(C)ccn1 ZINC000631634953 1122021096 /nfs/dbraw/zinc/02/10/96/1122021096.db2.gz OVHRNVXOVLCCFW-MRXNPFEDSA-N 0 1 269.392 3.724 20 0 CHADMN CCC1(CC)CCN(Cc2cc(OC)cnc2F)CC1 ZINC001180977261 1122027336 /nfs/dbraw/zinc/02/73/36/1122027336.db2.gz NCJCPFNWERJKQU-UHFFFAOYSA-N 0 1 280.387 3.632 20 0 CHADMN C[C@@H](N[C@H]1CCc2ccccc21)c1nc2c(s1)CCC2 ZINC000502018299 1122031529 /nfs/dbraw/zinc/03/15/29/1122031529.db2.gz OXOGUGRMZZBSEM-RISCZKNCSA-N 0 1 284.428 3.970 20 0 CHADMN Oc1cc(F)c(Cc2ccc(F)cc2)cc1Cl ZINC001249994543 1122034378 /nfs/dbraw/zinc/03/43/78/1122034378.db2.gz UOSHQOHYGXCIAG-UHFFFAOYSA-N 0 1 254.663 3.915 20 0 CHADMN C[C@@H]1C[C@H](N[C@H]2C[C@H](Sc3ccccc3)C2)c2nccn21 ZINC000631739299 1129026942 /nfs/dbraw/zinc/02/69/42/1129026942.db2.gz LCUKPEQPUSGPMZ-XOUADPBQSA-N 0 1 299.443 3.802 20 0 CHADMN CCCc1csc(CN2CCSC3(CCC3)CC2)n1 ZINC000414476201 1122039917 /nfs/dbraw/zinc/03/99/17/1122039917.db2.gz JCBBDBBNYVCJSD-UHFFFAOYSA-N 0 1 296.505 3.957 20 0 CHADMN COC[C@@H](NCc1ccc(OC(C)C)cc1)c1ccccc1 ZINC000264958141 1122041310 /nfs/dbraw/zinc/04/13/10/1122041310.db2.gz NIDZZBZMELGVCY-LJQANCHMSA-N 0 1 299.414 3.951 20 0 CHADMN Cc1cnc([C@H](C)N2CCC[C@H](CC(F)(F)F)C2)cn1 ZINC000420937823 1122046595 /nfs/dbraw/zinc/04/65/95/1122046595.db2.gz ADWLKWJATFFIQJ-NWDGAFQWSA-N 0 1 287.329 3.510 20 0 CHADMN CC(C)C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccccn1 ZINC000631754730 1129027993 /nfs/dbraw/zinc/02/79/93/1129027993.db2.gz PDCVPPMLKDUYHT-RTXFEEFZSA-N 0 1 272.314 3.709 20 0 CHADMN Cc1ccc(CN2CCC[C@H](CC(F)(F)F)C2)nc1 ZINC000420952301 1122049328 /nfs/dbraw/zinc/04/93/28/1122049328.db2.gz SAQGMHKLAOTFRE-GFCCVEGCSA-N 0 1 272.314 3.554 20 0 CHADMN CCCc1cccc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC001181360939 1122050164 /nfs/dbraw/zinc/05/01/64/1122050164.db2.gz KBPRIIBMMAUWFG-KSSFIOAISA-N 0 1 273.420 3.638 20 0 CHADMN C[C@H]1CN(Cc2cccc(C3CC3)c2)C[C@H](C2CC2)O1 ZINC001181371421 1122050205 /nfs/dbraw/zinc/05/02/05/1122050205.db2.gz BIJLGHPRAXMSBH-SCLBCKFNSA-N 0 1 271.404 3.563 20 0 CHADMN CCCc1cccc(CN2C[C@@H](C)O[C@H](C3CC3)C2)c1 ZINC001181360938 1122050220 /nfs/dbraw/zinc/05/02/20/1122050220.db2.gz KBPRIIBMMAUWFG-KDOFPFPSSA-N 0 1 273.420 3.638 20 0 CHADMN CCCc1ccc(CN2C[C@H](C)O[C@@H](C3CC3)C2)s1 ZINC001181374518 1122050802 /nfs/dbraw/zinc/05/08/02/1122050802.db2.gz ZDDKUFGRFLUZHV-BLLLJJGKSA-N 0 1 279.449 3.700 20 0 CHADMN C[C@H](NC[C@H](O)C(F)(F)F)c1ccc(-c2ccccc2)o1 ZINC000268858205 1122056746 /nfs/dbraw/zinc/05/67/46/1122056746.db2.gz RLTZQLWSXXIRKC-HZMBPMFUSA-N 0 1 299.292 3.520 20 0 CHADMN Cc1nn(C)cc1CN(C(C)C)[C@H](C)c1ccsc1 ZINC000421004411 1122058398 /nfs/dbraw/zinc/05/83/98/1122058398.db2.gz IFFICFMLRQEWGI-CYBMUJFWSA-N 0 1 277.437 3.762 20 0 CHADMN O=C(Nc1c(Cl)ccc(O)c1Cl)[C@@H]1C[C@]1(F)Cl ZINC001181664400 1122067892 /nfs/dbraw/zinc/06/78/92/1122067892.db2.gz HTTBATHPZWASGD-ZXPFJRLXSA-N 0 1 298.528 3.562 20 0 CHADMN FC[C@H](NC1CC(CF)(CF)C1)c1ccc(F)cc1 ZINC000631797781 1129029416 /nfs/dbraw/zinc/02/94/16/1129029416.db2.gz HAVQMWBRVPHNNZ-ZDUSSCGKSA-N 0 1 275.289 3.514 20 0 CHADMN CN(C)c1ccccc1CNCc1cnccc1C(C)(C)C ZINC000414497770 1122072445 /nfs/dbraw/zinc/07/24/45/1122072445.db2.gz LMBRUDRTGKHJBS-UHFFFAOYSA-N 0 1 297.446 3.735 20 0 CHADMN CO[C@](C)([C@H](C)NCc1ncc(C(C)C)s1)C1CC1 ZINC000414504381 1122077736 /nfs/dbraw/zinc/07/77/36/1122077736.db2.gz SJLZKXDARZJQBA-XHDPSFHLSA-N 0 1 282.453 3.560 20 0 CHADMN [O-]c1ccc(F)c(C[NH2+]CC2CCCCCC2)c1F ZINC001181807151 1122079810 /nfs/dbraw/zinc/07/98/10/1122079810.db2.gz BOFBEWXXDPZRDS-UHFFFAOYSA-N 0 1 269.335 3.730 20 0 CHADMN C[C@@H](N[C@@H]1CCCn2nccc21)c1nccc2ccccc21 ZINC000631809607 1129030274 /nfs/dbraw/zinc/03/02/74/1129030274.db2.gz LJPJYFUDMWEASC-CZUORRHYSA-N 0 1 292.386 3.617 20 0 CHADMN CC1=C(C)C[C@H]([C@@H](C)NCc2nn(C)cc2Cl)CC1 ZINC001181871110 1122088853 /nfs/dbraw/zinc/08/88/53/1122088853.db2.gz SSJXJAZUJHPRRD-CHWSQXEVSA-N 0 1 281.831 3.688 20 0 CHADMN CC(C)[C@H](NCc1ccc(F)cn1)c1ccc(F)cc1 ZINC000502524670 1122097463 /nfs/dbraw/zinc/09/74/63/1122097463.db2.gz RXYOLEJAQLLECR-INIZCTEOSA-N 0 1 276.330 3.847 20 0 CHADMN c1cc2ccc(CNCc3cccc(C4CC4)c3)nc2[nH]1 ZINC000421354461 1122099828 /nfs/dbraw/zinc/09/98/28/1122099828.db2.gz HPMBCXWLCAPGET-UHFFFAOYSA-N 0 1 277.371 3.730 20 0 CHADMN CCC[C@@]1(COC)CCCN1C/C(Cl)=C\Cl ZINC000773966288 1122104583 /nfs/dbraw/zinc/10/45/83/1122104583.db2.gz WOWDSLNFSWQQAD-OBIHZWKSSA-N 0 1 266.212 3.587 20 0 CHADMN Cc1scc(CN2C[C@]3(CCCO3)[C@H]2C2CC2)c1C ZINC001182034634 1122105044 /nfs/dbraw/zinc/10/50/44/1122105044.db2.gz URUXYRQYJPOOBP-HZPDHXFCSA-N 0 1 277.433 3.508 20 0 CHADMN Cc1ccc(CN[C@@H](CC(F)F)c2ccccc2)cn1 ZINC000421378231 1122105492 /nfs/dbraw/zinc/10/54/92/1122105492.db2.gz UYGGBYMUQWEYMT-HNNXBMFYSA-N 0 1 276.330 3.876 20 0 CHADMN COc1cccc(CN[C@@H]2CCc3cc(F)ccc32)c1F ZINC000192674936 1122110950 /nfs/dbraw/zinc/11/09/50/1122110950.db2.gz LXPUMCKOFWQNNM-OAHLLOKOSA-N 0 1 289.325 3.751 20 0 CHADMN CC(C)[C@@H]1N(Cc2cc(F)cc(F)c2)CC1(C)C ZINC001182099095 1122112016 /nfs/dbraw/zinc/11/20/16/1122112016.db2.gz LAMKALURCJYSRF-AWEZNQCLSA-N 0 1 253.336 3.831 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](c2ccc(F)cc2)C(C)C)nn1C ZINC000502684476 1122135915 /nfs/dbraw/zinc/13/59/15/1122135915.db2.gz NKNKPTZAFUZXIX-CXAGYDPISA-N 0 1 289.398 3.916 20 0 CHADMN Cc1cc2cc(C[N@H+](CC(=O)[O-])CC(C)C)oc2cc1C ZINC000901588848 1129034346 /nfs/dbraw/zinc/03/43/46/1129034346.db2.gz ITNWZVSFECVVSP-UHFFFAOYSA-N 0 1 289.375 3.592 20 0 CHADMN Cc1ccc(-c2ccc(C[N@H+]3CCCO[C@@H](C)C3)o2)cc1 ZINC000513756661 1122149271 /nfs/dbraw/zinc/14/92/71/1122149271.db2.gz ZKUKBLAHQJLLJG-HNNXBMFYSA-N 0 1 285.387 3.866 20 0 CHADMN Cn1cccc1CN1CCCC[C@H]1c1ccccc1F ZINC001203264641 1122152374 /nfs/dbraw/zinc/15/23/74/1122152374.db2.gz YAYBYBLRPKUECY-KRWDZBQOSA-N 0 1 272.367 3.891 20 0 CHADMN Cc1ncsc1CN1CC[C@@](F)(c2ccccc2C)C1 ZINC000503052056 1122164394 /nfs/dbraw/zinc/16/43/94/1122164394.db2.gz RFLMVKYBFDGTBU-INIZCTEOSA-N 0 1 290.407 3.831 20 0 CHADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000263396543 1129036008 /nfs/dbraw/zinc/03/60/08/1129036008.db2.gz ZLAFLENFPHWQIV-CIDNJEQPSA-N 0 1 295.467 3.882 20 0 CHADMN CC[C@@H](C)CN[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000271722787 1122173021 /nfs/dbraw/zinc/17/30/21/1122173021.db2.gz UCRLZJDRYUKKLU-IUODEOHRSA-N 0 1 291.826 3.799 20 0 CHADMN COC[C@@H](NCc1ccccc1OC(C)C)c1ccccc1 ZINC000271777351 1122175174 /nfs/dbraw/zinc/17/51/74/1122175174.db2.gz HAKCPXSKGRASTG-GOSISDBHSA-N 0 1 299.414 3.951 20 0 CHADMN Cc1cc([C@H](NCc2ccc(F)cn2)C2CC2)ccc1F ZINC000271797380 1122176837 /nfs/dbraw/zinc/17/68/37/1122176837.db2.gz XGESDTJBDXBXAN-QGZVFWFLSA-N 0 1 288.341 3.909 20 0 CHADMN COc1cc([C@@H](C)N[C@H](c2ccccc2)C2CCC2)on1 ZINC000924944152 1122179578 /nfs/dbraw/zinc/17/95/78/1122179578.db2.gz UXRDXRXUCJNHRD-SJKOYZFVSA-N 0 1 286.375 3.875 20 0 CHADMN CCOc1cccc2cc([C@@H](C)N[C@H](C)c3cn[nH]c3)oc21 ZINC000271868252 1122179861 /nfs/dbraw/zinc/17/98/61/1122179861.db2.gz MASNJLULQBJDJS-VXGBXAGGSA-N 0 1 299.374 3.966 20 0 CHADMN C[C@@H](C[N@H+](C)Cc1cc(Cl)ccc1[O-])c1nccs1 ZINC000183256188 1129036521 /nfs/dbraw/zinc/03/65/21/1129036521.db2.gz YNSKETPZBYCUSB-JTQLQIEISA-N 0 1 296.823 3.738 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1cc(Cl)ccc1[O-])c1nccs1 ZINC000183256188 1129036525 /nfs/dbraw/zinc/03/65/25/1129036525.db2.gz YNSKETPZBYCUSB-JTQLQIEISA-N 0 1 296.823 3.738 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@H](C)c2cccc(F)c2F)n[nH]1 ZINC000271949881 1122184971 /nfs/dbraw/zinc/18/49/71/1122184971.db2.gz KDJFLGVXEARSMN-NXEZZACHSA-N 0 1 294.349 3.618 20 0 CHADMN COc1ccc(CN[C@@H](CC(C)C)c2ccccc2)nc1 ZINC000271996789 1122185742 /nfs/dbraw/zinc/18/57/42/1122185742.db2.gz HFSTUWYEEIODSA-SFHVURJKSA-N 0 1 284.403 3.967 20 0 CHADMN COc1ccc(F)cc1CN1CCC(C2CCC2)CC1 ZINC001182805730 1122187904 /nfs/dbraw/zinc/18/79/04/1122187904.db2.gz IXYKPQLNDKQHAL-UHFFFAOYSA-N 0 1 277.383 3.846 20 0 CHADMN COc1ccc(CN(C)Cc2cccc(C3CC3)c2)cn1 ZINC001182855232 1122192238 /nfs/dbraw/zinc/19/22/38/1122192238.db2.gz OJWMNZQAARZFAI-UHFFFAOYSA-N 0 1 282.387 3.600 20 0 CHADMN O=C(Nc1ccsc1)c1cc2cc(Cl)c[nH]c-2n1 ZINC001151296960 1122193274 /nfs/dbraw/zinc/19/32/74/1122193274.db2.gz NLQCXASVHNPIQM-UHFFFAOYSA-N 0 1 277.736 3.530 20 0 CHADMN COCC[C@@H](NCc1sccc1C)c1ccc(C)o1 ZINC000272227553 1122195313 /nfs/dbraw/zinc/19/53/13/1122195313.db2.gz FNFJOWKUZQWEEO-CYBMUJFWSA-N 0 1 279.405 3.825 20 0 CHADMN COCC[C@@H](N[C@@H]1CCc2c1cccc2F)c1ccco1 ZINC000272418258 1122200744 /nfs/dbraw/zinc/20/07/44/1122200744.db2.gz HNOBWWDNWFNBNG-HZPDHXFCSA-N 0 1 289.350 3.773 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(C)c(F)c(C)c1 ZINC000272420306 1122202328 /nfs/dbraw/zinc/20/23/28/1122202328.db2.gz HIUPDRQGINZTEF-UHFFFAOYSA-N 0 1 297.280 3.664 20 0 CHADMN CC1(NCc2ccc(-c3ccccc3)c(Cl)c2)COC1 ZINC001183281017 1122213401 /nfs/dbraw/zinc/21/34/01/1122213401.db2.gz LMXDJQQLPPYOHP-UHFFFAOYSA-N 0 1 287.790 3.886 20 0 CHADMN CC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000774614646 1122215934 /nfs/dbraw/zinc/21/59/34/1122215934.db2.gz VEHSDGBAPBMHHS-XHDPSFHLSA-N 0 1 285.790 3.635 20 0 CHADMN CC1(C)C[C@@H](NCc2ccncc2)c2cc(F)ccc2O1 ZINC000082505577 1122216220 /nfs/dbraw/zinc/21/62/20/1122216220.db2.gz UDYHBCNAPZFNHM-OAHLLOKOSA-N 0 1 286.350 3.613 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3cccc(C)c3)C2)oc1C ZINC000273063617 1122219470 /nfs/dbraw/zinc/21/94/70/1122219470.db2.gz IBQYPMCMHWUSHF-MRXNPFEDSA-N 0 1 270.376 3.589 20 0 CHADMN COc1ccnc(CN[C@H](c2ccccc2)C(C)C)c1 ZINC000273056088 1122219608 /nfs/dbraw/zinc/21/96/08/1122219608.db2.gz RYAHXVSNGZFRNF-KRWDZBQOSA-N 0 1 270.376 3.577 20 0 CHADMN Cc1cc(CN2CC([C@@H]3CCC[C@@H](C)C3)C2)sn1 ZINC001183443305 1122223985 /nfs/dbraw/zinc/22/39/85/1122223985.db2.gz HYBABSVNQNTPFP-DGCLKSJQSA-N 0 1 264.438 3.710 20 0 CHADMN CC(C)c1ccc([C@@H](C)NCc2n[nH]c(C3CC3)n2)cc1 ZINC000273289653 1122226718 /nfs/dbraw/zinc/22/67/18/1122226718.db2.gz KDBHTOKPRONGBQ-GFCCVEGCSA-N 0 1 284.407 3.656 20 0 CHADMN CC1CC(N[C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000273355081 1122228995 /nfs/dbraw/zinc/22/89/95/1122228995.db2.gz NOVMWYAHOHQHCT-MWHAMWOXSA-N 0 1 270.351 3.698 20 0 CHADMN c1nc(CN[C@@H](Cc2ccccc2)C2CC2)oc1C1CC1 ZINC000273411889 1122231812 /nfs/dbraw/zinc/23/18/12/1122231812.db2.gz QQWQVPJFFLEKAW-INIZCTEOSA-N 0 1 282.387 3.663 20 0 CHADMN Cc1csc([C@H]2CCN(Cc3cccn3C(F)F)C2)n1 ZINC001183673866 1122233788 /nfs/dbraw/zinc/23/37/88/1122233788.db2.gz SVZLDVMEHQSQAV-NSHDSACASA-N 0 1 297.374 3.638 20 0 CHADMN Cc1[nH]nc(CN[C@@H](c2cccc(Cl)c2)C(F)F)c1C ZINC001183811284 1122238978 /nfs/dbraw/zinc/23/89/78/1122238978.db2.gz HVXTVEUVBIXBKQ-ZDUSSCGKSA-N 0 1 299.752 3.776 20 0 CHADMN CCSCCN[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000273660259 1122242273 /nfs/dbraw/zinc/24/22/73/1122242273.db2.gz DVTXPYQFQSNBOM-KRWDZBQOSA-N 0 1 286.444 3.822 20 0 CHADMN COc1cc(Cl)c(C[N@@H+](C)CCCF)cc1Cl ZINC001183896756 1122243754 /nfs/dbraw/zinc/24/37/54/1122243754.db2.gz IOBHUFOAHZEQTL-UHFFFAOYSA-N 0 1 280.170 3.793 20 0 CHADMN COc1cc(Cl)c(CN(C)CCCF)cc1Cl ZINC001183896756 1122243758 /nfs/dbraw/zinc/24/37/58/1122243758.db2.gz IOBHUFOAHZEQTL-UHFFFAOYSA-N 0 1 280.170 3.793 20 0 CHADMN CCc1ccc([C@H](C)c2nc(C3(N)CCCC3)no2)cc1 ZINC000261878277 1122266655 /nfs/dbraw/zinc/26/66/55/1122266655.db2.gz WBGCWPQLHOXUKK-LBPRGKRZSA-N 0 1 285.391 3.512 20 0 CHADMN C/C(=C/c1ccccc1)CN1CC(C)(C)OC[C@@H]1C ZINC000503573224 1122268788 /nfs/dbraw/zinc/26/87/88/1122268788.db2.gz XGWSQUMFRKFWDX-LTBFUDJGSA-N 0 1 259.393 3.589 20 0 CHADMN COCC[C@H](NC/C=C\c1ccccc1)c1ccco1 ZINC000503905155 1122277567 /nfs/dbraw/zinc/27/75/67/1122277567.db2.gz YGDZMUGTODBXTM-GEZBDVBVSA-N 0 1 271.360 3.660 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H]3CCC[C@H](C)C3)cc(F)c12 ZINC001184507044 1122281794 /nfs/dbraw/zinc/28/17/94/1122281794.db2.gz CTEGIGLNFGQUPH-ONGXEEELSA-N 0 1 289.354 3.775 20 0 CHADMN CN(Cc1ccc(Cl)cc1Br)CC1CC1 ZINC000504095263 1122285809 /nfs/dbraw/zinc/28/58/09/1122285809.db2.gz QJIGHKYRTRSDKS-UHFFFAOYSA-N 0 1 288.616 3.944 20 0 CHADMN CCCCCN(CCCCC)C(=O)NCc1cn[nH]c1C ZINC000504496609 1122296555 /nfs/dbraw/zinc/29/65/55/1122296555.db2.gz INLIWKILILYVSO-UHFFFAOYSA-N 0 1 294.443 3.610 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN(C)CC1(C(C)C)CC1 ZINC000637856243 1122298499 /nfs/dbraw/zinc/29/84/99/1122298499.db2.gz XZXWKEITGLTKSH-UHFFFAOYSA-N 0 1 288.435 3.610 20 0 CHADMN CO[C@H](CNCc1csc(-c2cccs2)n1)C(C)C ZINC000072924471 1122310218 /nfs/dbraw/zinc/31/02/18/1122310218.db2.gz NZIGNSQHUBGMDQ-GFCCVEGCSA-N 0 1 296.461 3.632 20 0 CHADMN C=Cn1cc(CN2CC=C(c3ccc(C)cc3)CC2)cn1 ZINC000774836460 1122319941 /nfs/dbraw/zinc/31/99/41/1122319941.db2.gz MYXUGWPGEPWRAQ-UHFFFAOYSA-N 0 1 279.387 3.581 20 0 CHADMN Cc1cc(NS(=O)(=O)c2ccsc2)ccc1Cl ZINC001185382819 1122335664 /nfs/dbraw/zinc/33/56/64/1122335664.db2.gz JTSYKPWCDCQIAX-UHFFFAOYSA-N 0 1 287.793 3.511 20 0 CHADMN Cc1cc(Br)cc(CN2CCC2(C)C)c1 ZINC000774886899 1122345820 /nfs/dbraw/zinc/34/58/20/1122345820.db2.gz YCTVAKYIAJUGNO-UHFFFAOYSA-N 0 1 268.198 3.742 20 0 CHADMN COc1c(C)cc(Br)cc1CN1CCC[C@@H]1C ZINC001250210267 1122359202 /nfs/dbraw/zinc/35/92/02/1122359202.db2.gz STYSSMNKEUNDHN-NSHDSACASA-N 0 1 298.224 3.750 20 0 CHADMN FCC[C@H]1CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000664413611 1122365226 /nfs/dbraw/zinc/36/52/26/1122365226.db2.gz NSFGIBVDYPXCNF-GFCCVEGCSA-N 0 1 276.330 3.950 20 0 CHADMN Cc1nccc(N2CCC[C@H](CCF)C2)c1Cl ZINC000664412929 1122365643 /nfs/dbraw/zinc/36/56/43/1122365643.db2.gz KHKKLOJDUOGYJF-LLVKDONJSA-N 0 1 256.752 3.619 20 0 CHADMN CC[C@H](NCc1ccncc1C)c1ccccc1F ZINC000228657900 1122374127 /nfs/dbraw/zinc/37/41/27/1122374127.db2.gz XIQOVTSJQUKZAS-INIZCTEOSA-N 0 1 258.340 3.770 20 0 CHADMN CC1(C)CCC[C@H](Nc2ccncc2C(F)(F)F)C1 ZINC001186144718 1122377501 /nfs/dbraw/zinc/37/75/01/1122377501.db2.gz QZGKWLRCROAACF-JTQLQIEISA-N 0 1 272.314 3.903 20 0 CHADMN Cc1coc2ccc(NC(=O)c3cn[nH]c3C(C)C)cc12 ZINC000632551162 1129050683 /nfs/dbraw/zinc/05/06/83/1129050683.db2.gz RVBBTHSQVCQLHE-UHFFFAOYSA-N 0 1 283.331 3.840 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCCCCF)n2)cc1 ZINC000505442966 1122383703 /nfs/dbraw/zinc/38/37/03/1122383703.db2.gz APOKYZLTKQDSST-UHFFFAOYSA-N 0 1 265.357 3.622 20 0 CHADMN C[C@H](NC(=O)Nc1ncc(Cl)cc1O)C1CCCCC1 ZINC001186370490 1122384802 /nfs/dbraw/zinc/38/48/02/1122384802.db2.gz CXBYWGULLZVOCE-VIFPVBQESA-N 0 1 297.786 3.531 20 0 CHADMN CC(C)[C@H]1N(Cc2ccn(-c3ccccc3)n2)CC12CCC2 ZINC000430085485 1122400532 /nfs/dbraw/zinc/40/05/32/1122400532.db2.gz AFVQVEZVEKGKDM-GOSISDBHSA-N 0 1 295.430 3.883 20 0 CHADMN Cc1cccc(CN(C)Cc2cnn(C(C)(C)C)c2)c1C ZINC000430095276 1122403196 /nfs/dbraw/zinc/40/31/96/1122403196.db2.gz MORYPLUVTQDPEU-UHFFFAOYSA-N 0 1 285.435 3.887 20 0 CHADMN CSc1ccc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)s1 ZINC000430100038 1122404204 /nfs/dbraw/zinc/40/42/04/1122404204.db2.gz GCUUYPSVJGHAOV-CMPLNLGQSA-N 0 1 289.416 3.947 20 0 CHADMN Cc1ccc([C@@]2(C)CCN(Cc3nccs3)C2)cc1 ZINC000434750057 1122409019 /nfs/dbraw/zinc/40/90/19/1122409019.db2.gz UNEFRPGBMZEKEP-INIZCTEOSA-N 0 1 272.417 3.615 20 0 CHADMN CCc1nc(CSc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000775101766 1122422555 /nfs/dbraw/zinc/42/25/55/1122422555.db2.gz OQMZOEIFJUDFLO-UHFFFAOYSA-N 0 1 287.310 3.678 20 0 CHADMN COCCOc1cccc(CN2CC[C@@H]2c2ccccc2)c1 ZINC000434984417 1122425254 /nfs/dbraw/zinc/42/52/54/1122425254.db2.gz ADNPPVUNMUQYRC-LJQANCHMSA-N 0 1 297.398 3.659 20 0 CHADMN Fc1cccc2c1OCC[N@@H+](Cc1cccc3[nH]ccc31)C2 ZINC000435038992 1122428850 /nfs/dbraw/zinc/42/88/50/1122428850.db2.gz YYZVHNFFJYDCPO-UHFFFAOYSA-N 0 1 296.345 3.702 20 0 CHADMN Fc1cccc2c1OCCN(Cc1cccc3[nH]ccc31)C2 ZINC000435038992 1122428852 /nfs/dbraw/zinc/42/88/52/1122428852.db2.gz YYZVHNFFJYDCPO-UHFFFAOYSA-N 0 1 296.345 3.702 20 0 CHADMN COc1ccccc1CCCN1CC=C(C(F)(F)F)CC1 ZINC000505606003 1122434298 /nfs/dbraw/zinc/43/42/98/1122434298.db2.gz FXEJZQUPFWUTQK-UHFFFAOYSA-N 0 1 299.336 3.822 20 0 CHADMN CCc1ccccc1NC(=O)Nc1ncc(Cl)cc1O ZINC001187613136 1122434784 /nfs/dbraw/zinc/43/47/84/1122434784.db2.gz QXAPNUDTTSVCKJ-UHFFFAOYSA-N 0 1 291.738 3.647 20 0 CHADMN CCc1ccc(CN(C)Cc2cnn(C(C)(C)C)c2)cc1 ZINC000505613179 1122435967 /nfs/dbraw/zinc/43/59/67/1122435967.db2.gz TYZDHMAZBZEUAV-UHFFFAOYSA-N 0 1 285.435 3.833 20 0 CHADMN CCN(Cc1ccc(-c2cc[nH]n2)o1)Cc1cccs1 ZINC000435132151 1122436806 /nfs/dbraw/zinc/43/68/06/1122436806.db2.gz IEIIOGJWDZGNQE-UHFFFAOYSA-N 0 1 287.388 3.753 20 0 CHADMN Cc1ccoc1CN(C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000430125952 1122441611 /nfs/dbraw/zinc/44/16/11/1122441611.db2.gz UTWUTDFOCKQVSW-UHFFFAOYSA-N 0 1 281.359 3.610 20 0 CHADMN Cc1ccoc1CN(C)Cc1c[nH]nc1-c1ccccc1 ZINC000430127106 1122441891 /nfs/dbraw/zinc/44/18/91/1122441891.db2.gz OOYDIKCZPJTIQV-UHFFFAOYSA-N 0 1 281.359 3.610 20 0 CHADMN Cc1cc([C@H](C)NC(=O)c2n[nH]cc2Cl)ccc1Cl ZINC001187848423 1122444050 /nfs/dbraw/zinc/44/40/50/1122444050.db2.gz MRUMKJAHDMJQQD-QMMMGPOBSA-N 0 1 298.173 3.516 20 0 CHADMN CC[C@]1(C)CC[N@H+]([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000514728298 1122444076 /nfs/dbraw/zinc/44/40/76/1122444076.db2.gz AIPMAAQQAKLGLV-UKRRQHHQSA-N 0 1 299.773 3.727 20 0 CHADMN CCC[C@@H](NC(=O)c1cc2[nH]cnc2cc1F)C(C)(C)C ZINC000425305807 1122445804 /nfs/dbraw/zinc/44/58/04/1122445804.db2.gz BIZKZZQZJQRHMT-CQSZACIVSA-N 0 1 291.370 3.647 20 0 CHADMN CC(C)(CCSc1nc(-c2ccccn2)n[nH]1)C1CC1 ZINC001188094962 1122454497 /nfs/dbraw/zinc/45/44/97/1122454497.db2.gz RTZWFPGXHAPQBJ-UHFFFAOYSA-N 0 1 288.420 3.785 20 0 CHADMN CC(C)n1cncc1CN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000425331007 1122454752 /nfs/dbraw/zinc/45/47/52/1122454752.db2.gz BKDBTMSPGMJFPU-GFCCVEGCSA-N 0 1 289.345 3.627 20 0 CHADMN Cc1nccc(N2CCC([C@@H]3CCCCO3)CC2)c1Cl ZINC000664484787 1122463696 /nfs/dbraw/zinc/46/36/96/1122463696.db2.gz NURVFSXUKOGHNO-HNNXBMFYSA-N 0 1 294.826 3.829 20 0 CHADMN C[C@H](N[C@H]1c2ccc(F)cc2O[C@H]1C)c1ccccc1 ZINC000514959109 1122467327 /nfs/dbraw/zinc/46/73/27/1122467327.db2.gz FTQJCFBHUHVYBK-NVGCLXPQSA-N 0 1 271.335 3.999 20 0 CHADMN CC[C@H](C)c1ccc(NS(=O)(=O)c2ccoc2)cc1 ZINC001188569426 1122467907 /nfs/dbraw/zinc/46/79/07/1122467907.db2.gz JRQBZASIIOWINJ-NSHDSACASA-N 0 1 279.361 3.594 20 0 CHADMN CCOc1ccc(CN(C)Cc2sccc2OC)cc1 ZINC000505701112 1122471161 /nfs/dbraw/zinc/47/11/61/1122471161.db2.gz UYKLRCNENOBTAH-UHFFFAOYSA-N 0 1 291.416 3.787 20 0 CHADMN C[C@H](F)CCSc1nnc(CCC2CCCC2)[nH]1 ZINC000505706540 1122473647 /nfs/dbraw/zinc/47/36/47/1122473647.db2.gz OKAKVAARNUTPRQ-JTQLQIEISA-N 0 1 271.405 3.768 20 0 CHADMN C[C@H](F)CCSc1nc(CCC2CCCC2)n[nH]1 ZINC000505706540 1122473649 /nfs/dbraw/zinc/47/36/49/1122473649.db2.gz OKAKVAARNUTPRQ-JTQLQIEISA-N 0 1 271.405 3.768 20 0 CHADMN O=C([O-])CC1(C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)CC1 ZINC000515073053 1122475090 /nfs/dbraw/zinc/47/50/90/1122475090.db2.gz DRCGVCFPDWYXHV-INIZCTEOSA-N 0 1 299.414 3.511 20 0 CHADMN c1ccc(-c2nc3c(s2)C[N@H+]([C@H]2C[C@H]4C[C@H]4C2)C3)cc1 ZINC001167959392 1122475695 /nfs/dbraw/zinc/47/56/95/1122475695.db2.gz NZMPAGRKJJAKBR-WDNDVIMCSA-N 0 1 282.412 3.924 20 0 CHADMN c1ccc(-c2nc3c(s2)CN([C@H]2C[C@H]4C[C@H]4C2)C3)cc1 ZINC001167959392 1122475697 /nfs/dbraw/zinc/47/56/97/1122475697.db2.gz NZMPAGRKJJAKBR-WDNDVIMCSA-N 0 1 282.412 3.924 20 0 CHADMN CC[C@@H]1CN(CCC2CCCCCC2)C[C@H](C)[S@@]1=O ZINC000515093023 1122476241 /nfs/dbraw/zinc/47/62/41/1122476241.db2.gz BRPNSZSKPFYOMQ-GMBSWORKSA-N 0 1 285.497 3.578 20 0 CHADMN CC(C)c1occc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000435619492 1122478566 /nfs/dbraw/zinc/47/85/66/1122478566.db2.gz VAAAGQVXFMEUIY-UHFFFAOYSA-N 0 1 269.304 3.532 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc(C)o2)cc1OC ZINC000505707948 1122479243 /nfs/dbraw/zinc/47/92/43/1122479243.db2.gz VEOWMAXMOFXNNA-UHFFFAOYSA-N 0 1 289.375 3.627 20 0 CHADMN CC[C@H]1CO[C@H](C)CN1CCCOc1cc(C)ccc1C ZINC000515139368 1122479475 /nfs/dbraw/zinc/47/94/75/1122479475.db2.gz QCQBXZDQIYMTQE-SJORKVTESA-N 0 1 291.435 3.572 20 0 CHADMN COc1cc(C)nc(-c2nc3ccc(SC)cc3[nH]2)c1 ZINC000435681562 1122481568 /nfs/dbraw/zinc/48/15/68/1122481568.db2.gz BNSKXPJHEQTHQZ-UHFFFAOYSA-N 0 1 285.372 3.664 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000515306033 1122489909 /nfs/dbraw/zinc/48/99/09/1122489909.db2.gz RFWIGDPGYFSTRW-LLVKDONJSA-N 0 1 281.783 3.660 20 0 CHADMN CC(C)(C)c1csc(Nc2ccc3cncn3c2)n1 ZINC001250322848 1122495063 /nfs/dbraw/zinc/49/50/63/1122495063.db2.gz OSTROGQIAQGGOW-UHFFFAOYSA-N 0 1 272.377 3.832 20 0 CHADMN CN(CCC1CCCC1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000515403871 1122497143 /nfs/dbraw/zinc/49/71/43/1122497143.db2.gz DKZNSDQUUMFACF-UHFFFAOYSA-N 0 1 263.429 3.719 20 0 CHADMN C[C@@H](NC[C@@H]1CCC2(CCCCC2)O1)c1cscn1 ZINC000515539754 1122508000 /nfs/dbraw/zinc/50/80/00/1122508000.db2.gz MEWISSCKODWFJX-OLZOCXBDSA-N 0 1 280.437 3.676 20 0 CHADMN CC(C)[C@@H](C(=O)NOC1CCCC1)c1ccc(F)cc1 ZINC000775276769 1122508170 /nfs/dbraw/zinc/50/81/70/1122508170.db2.gz VGKZXYKJUCIEEJ-OAHLLOKOSA-N 0 1 279.355 3.556 20 0 CHADMN Oc1ccc2c(c1)[C@H](NCc1ccc(Cl)cn1)CCC2 ZINC000285400685 1122509501 /nfs/dbraw/zinc/50/95/01/1122509501.db2.gz XEADFAOVZSLDNC-MRXNPFEDSA-N 0 1 288.778 3.608 20 0 CHADMN CC(C)c1noc(CN2CC[C@H](C)[C@@H]3CCCC[C@@H]32)n1 ZINC000515547225 1122509602 /nfs/dbraw/zinc/50/96/02/1122509602.db2.gz LDVMIGKIATVTRG-IHRRRGAJSA-N 0 1 277.412 3.594 20 0 CHADMN CCc1cc([NH+]=C([O-])Nc2c(C)cccc2CC)ccn1 ZINC001189949340 1122520890 /nfs/dbraw/zinc/52/08/90/1122520890.db2.gz NDAPPQTYRYZBKF-UHFFFAOYSA-N 0 1 283.375 3.581 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2cn3ccccc3n2)c1 ZINC000515745004 1122532207 /nfs/dbraw/zinc/53/22/07/1122532207.db2.gz WIXMGQONVHPNPS-GOSISDBHSA-N 0 1 291.398 3.980 20 0 CHADMN FCCN[C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000436306166 1122536369 /nfs/dbraw/zinc/53/63/69/1122536369.db2.gz JRRCVCUHHFTUTN-OAHLLOKOSA-N 0 1 278.758 3.578 20 0 CHADMN C[C@@H]1CN(CCCOc2cccc3ccccc32)[C@H](C)CO1 ZINC000515780663 1122538288 /nfs/dbraw/zinc/53/82/88/1122538288.db2.gz WYRCSUCWSQWGLC-HZPDHXFCSA-N 0 1 299.414 3.718 20 0 CHADMN CC[C@H](NCc1ccncc1)c1cc(F)ccc1F ZINC000077454336 1122538972 /nfs/dbraw/zinc/53/89/72/1122538972.db2.gz OJQYMRXLGFQUJM-HNNXBMFYSA-N 0 1 262.303 3.601 20 0 CHADMN CCc1ccc(C(=O)Nc2nc(-c3cccs3)n[nH]2)cc1 ZINC000080013113 1129061426 /nfs/dbraw/zinc/06/14/26/1129061426.db2.gz WVUWGPDZZVTFDY-UHFFFAOYSA-N 0 1 298.371 3.732 20 0 CHADMN CCCCN(CC1=NOCC1)[C@@H](C)c1ccc(C)o1 ZINC001190589375 1122546212 /nfs/dbraw/zinc/54/62/12/1122546212.db2.gz OKZDAPMQXUCMQJ-ZDUSSCGKSA-N 0 1 264.369 3.527 20 0 CHADMN CCCCN(C/C=C(/C)C(=O)OC)[C@H](C)c1ccc(C)o1 ZINC001190589362 1122546814 /nfs/dbraw/zinc/54/68/14/1122546814.db2.gz OBPHDTMJPXLFKA-VSKPTYQZSA-N 0 1 293.407 3.870 20 0 CHADMN CCN(Cc1ccccc1F)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001190627570 1122549353 /nfs/dbraw/zinc/54/93/53/1122549353.db2.gz ISONTWWCAQJVBE-WBVHZDCISA-N 0 1 277.383 3.605 20 0 CHADMN COc1cccc(CN2CCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000505832406 1122553930 /nfs/dbraw/zinc/55/39/30/1122553930.db2.gz MYCOABYDRGALJF-MENFKHAKSA-N 0 1 294.398 3.768 20 0 CHADMN CC[C@H](C)[C@H](C)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001190790821 1122554606 /nfs/dbraw/zinc/55/46/06/1122554606.db2.gz FFRQPPNLWIIQGF-HEHGZKQESA-N 0 1 265.372 3.634 20 0 CHADMN CCOc1cccc(CN2CCC(C)CC2)c1OC(F)F ZINC000505842693 1122556278 /nfs/dbraw/zinc/55/62/78/1122556278.db2.gz ONEYJUBCBQFNFW-UHFFFAOYSA-N 0 1 299.361 3.919 20 0 CHADMN COc1ccnc(CN2CCC[C@H]2/C=C/c2ccccc2)c1 ZINC000505840139 1122557532 /nfs/dbraw/zinc/55/75/32/1122557532.db2.gz OVGWEUMXNJAJHS-BBVFFXRHSA-N 0 1 294.398 3.768 20 0 CHADMN CCCN(CC1CCCCC1)C(=O)c1[nH]nc2ccccc21 ZINC000515975938 1122559458 /nfs/dbraw/zinc/55/94/58/1122559458.db2.gz MMDRETACERPCJH-UHFFFAOYSA-N 0 1 299.418 3.995 20 0 CHADMN CCN(Cc1sccc1OC)Cc1ccccc1 ZINC000505848482 1122562111 /nfs/dbraw/zinc/56/21/11/1122562111.db2.gz UAEBCZXSBOSTLO-UHFFFAOYSA-N 0 1 261.390 3.779 20 0 CHADMN Cc1cccc(Cl)c1CN1CCS[C@@H](C)[C@@H]1C ZINC001191022247 1122564997 /nfs/dbraw/zinc/56/49/97/1122564997.db2.gz RSPLJRMXMMRLHE-RYUDHWBXSA-N 0 1 269.841 3.974 20 0 CHADMN C[C@H](C1CCCCC1)N(C)C(=O)c1c(O)cccc1F ZINC000436640126 1122569072 /nfs/dbraw/zinc/56/90/72/1122569072.db2.gz UJBMAPYKSWLHJV-LLVKDONJSA-N 0 1 279.355 3.572 20 0 CHADMN Cc1ccc(C[C@@H]2CCCN(Cc3nccs3)C2)cc1 ZINC000516200401 1122577323 /nfs/dbraw/zinc/57/73/23/1122577323.db2.gz CTNFHRMSNRHDTJ-INIZCTEOSA-N 0 1 286.444 3.906 20 0 CHADMN Cc1cc2nc(-c3cc(F)c(O)c(F)c3)[nH]c2cc1C ZINC000436778688 1122580621 /nfs/dbraw/zinc/58/06/21/1122580621.db2.gz HLUSQDYURSELMJ-UHFFFAOYSA-N 0 1 274.270 3.831 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)CC2CC(C)(C)C2)c1 ZINC000436764406 1122582199 /nfs/dbraw/zinc/58/21/99/1122582199.db2.gz LJISEFBDAKRFSS-UHFFFAOYSA-N 0 1 289.375 3.750 20 0 CHADMN C[C@@H]1c2c(F)cccc2CCN1C[C@@H]1CC(C)(C)CO1 ZINC001191175921 1122583049 /nfs/dbraw/zinc/58/30/49/1122583049.db2.gz UYXASGHSPAAWHW-OCCSQVGLSA-N 0 1 277.383 3.560 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2cc(F)ccc2F)C1 ZINC001191213708 1122583089 /nfs/dbraw/zinc/58/30/89/1122583089.db2.gz JWECDEHHPGFZGY-HNNXBMFYSA-N 0 1 253.336 3.977 20 0 CHADMN CCCCC[C@H]1CCCCN1C(=O)c1ccc2cncn2c1 ZINC000620566602 1129064497 /nfs/dbraw/zinc/06/44/97/1129064497.db2.gz LRICAIIFXVZUNE-INIZCTEOSA-N 0 1 299.418 3.909 20 0 CHADMN CN(C(=O)c1c(O)cc(Cl)cc1Cl)[C@@H]1CC1(C)C ZINC000436814321 1122585249 /nfs/dbraw/zinc/58/52/49/1122585249.db2.gz KIKXEEWGPQDZLP-SNVBAGLBSA-N 0 1 288.174 3.570 20 0 CHADMN CC(C)N(C)Cc1cc(Br)ccc1Cl ZINC000505886563 1122585324 /nfs/dbraw/zinc/58/53/24/1122585324.db2.gz HUWXOANVTHZFEI-UHFFFAOYSA-N 0 1 276.605 3.943 20 0 CHADMN CC(C)[C@@H]1CN(C(=O)c2c(O)cccc2F)c2ccccc21 ZINC000436816006 1122585763 /nfs/dbraw/zinc/58/57/63/1122585763.db2.gz RJWQYJZXRIMPDR-ZDUSSCGKSA-N 0 1 299.345 3.931 20 0 CHADMN Cc1cnc(C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)cn1 ZINC000505898979 1122595851 /nfs/dbraw/zinc/59/58/51/1122595851.db2.gz SMFDMZZZAKCEPH-IBGZPJMESA-N 0 1 293.414 3.827 20 0 CHADMN Cc1cnc(CN(C2CC2)[C@H]2CCCc3ccccc32)cn1 ZINC000505898979 1122595856 /nfs/dbraw/zinc/59/58/56/1122595856.db2.gz SMFDMZZZAKCEPH-IBGZPJMESA-N 0 1 293.414 3.827 20 0 CHADMN CCOC(=O)C1(NC[C@@H]2CCCC[C@@H]2C)CCCCC1 ZINC001191753113 1122613377 /nfs/dbraw/zinc/61/33/77/1122613377.db2.gz DVHKSJCNYCXPFC-GJZGRUSLSA-N 0 1 281.440 3.668 20 0 CHADMN CCC[C@H](C)CCCN1CCN(c2ncc(C)s2)CC1 ZINC001191753581 1122613489 /nfs/dbraw/zinc/61/34/89/1122613489.db2.gz ONGYKCIQXQHUCQ-AWEZNQCLSA-N 0 1 295.496 3.790 20 0 CHADMN CN(Cc1cccc(F)c1Br)C1CCCC1 ZINC000158017862 1122616703 /nfs/dbraw/zinc/61/67/03/1122616703.db2.gz PNBIGUDQLXXSSO-UHFFFAOYSA-N 0 1 286.188 3.963 20 0 CHADMN CC(C)CC[C@@H]1CCCCN1Cc1nc(CC2CC2)no1 ZINC001191921113 1122621425 /nfs/dbraw/zinc/62/14/25/1122621425.db2.gz ZLSYESVWRIVWHJ-HNNXBMFYSA-N 0 1 291.439 3.813 20 0 CHADMN CCN(Cc1ccc(OC)nc1)[C@H](C)c1ccc(F)cc1 ZINC000437593469 1122642552 /nfs/dbraw/zinc/64/25/52/1122642552.db2.gz UMBJLOSFYARZTH-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN c1c[nH]c([C@H]2CCCN2Cc2c[nH]nc2-c2ccsc2)c1 ZINC000437585513 1122644820 /nfs/dbraw/zinc/64/48/20/1122644820.db2.gz ANBTVGDEXUBORM-OAHLLOKOSA-N 0 1 298.415 3.803 20 0 CHADMN CC[C@@H](N[C@H](C)c1snnc1C)c1ccc(F)cc1 ZINC001192442536 1122646825 /nfs/dbraw/zinc/64/68/25/1122646825.db2.gz ASAPIAOWYUQEDN-NOZJJQNGSA-N 0 1 279.384 3.788 20 0 CHADMN COC(=O)[C@H](c1ccccc1C)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001192499194 1122648480 /nfs/dbraw/zinc/64/84/80/1122648480.db2.gz BCJMTXDUNMZRSZ-BBRMVZONSA-N 0 1 289.419 3.577 20 0 CHADMN COC(=O)[C@H](c1ccccc1C)N1C[C@@H](C)CC(C)(C)C1 ZINC001192499194 1122648481 /nfs/dbraw/zinc/64/84/81/1122648481.db2.gz BCJMTXDUNMZRSZ-BBRMVZONSA-N 0 1 289.419 3.577 20 0 CHADMN CC(C)[N@H+]1CCCC[C@H]1CN[C@@H](C(C)(C)C)C(F)(F)F ZINC001192616506 1122654175 /nfs/dbraw/zinc/65/41/75/1122654175.db2.gz KPYTULZJSRVYSP-STQMWFEESA-N 0 1 294.405 3.816 20 0 CHADMN CC(C)N1CCCC[C@H]1CN[C@@H](C(C)(C)C)C(F)(F)F ZINC001192616506 1122654177 /nfs/dbraw/zinc/65/41/77/1122654177.db2.gz KPYTULZJSRVYSP-STQMWFEESA-N 0 1 294.405 3.816 20 0 CHADMN CC(=O)CN[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC001192690539 1122655655 /nfs/dbraw/zinc/65/56/55/1122655655.db2.gz UUXZPAPZLPZLCK-AWEZNQCLSA-N 0 1 267.800 3.996 20 0 CHADMN Cc1ccccc1[C@H](C)N1CCO[C@H](Cc2ccccc2)C1 ZINC001192847704 1122659681 /nfs/dbraw/zinc/65/96/81/1122659681.db2.gz KVRANMIQAVVATF-PKOBYXMFSA-N 0 1 295.426 4.000 20 0 CHADMN Cc1nc2c(cccc2NC(=O)c2c(C)n[nH]c2C(C)C)o1 ZINC000633348194 1129069467 /nfs/dbraw/zinc/06/94/67/1129069467.db2.gz GFUAYZQHWDALQZ-UHFFFAOYSA-N 0 1 298.346 3.543 20 0 CHADMN CC[C@@]1(C)COCCN1CCOc1cccc2ccccc21 ZINC001192928033 1122666216 /nfs/dbraw/zinc/66/62/16/1122666216.db2.gz FUIIGQKHYCYRCB-IBGZPJMESA-N 0 1 299.414 3.720 20 0 CHADMN CCOC(=O)CN(C[C@H](C)CC)[C@@H](C)c1ccccc1 ZINC001192966842 1122668298 /nfs/dbraw/zinc/66/82/98/1122668298.db2.gz YIVSRALGVDCXLD-CABCVRRESA-N 0 1 277.408 3.659 20 0 CHADMN CC(C)CO[C@@H]1CCN(Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438111922 1122679222 /nfs/dbraw/zinc/67/92/22/1122679222.db2.gz CQTLPHQVNMKTGW-CQSZACIVSA-N 0 1 290.382 3.554 20 0 CHADMN CCCC[C@H](N[C@H](CC(C)C)C(=O)OC)C1CCC1 ZINC001193238146 1122681729 /nfs/dbraw/zinc/68/17/29/1122681729.db2.gz GQLBMOHMVVSRKO-LSDHHAIUSA-N 0 1 269.429 3.523 20 0 CHADMN CC(C)c1nnc(CN[C@@H](C)Cc2ccccc2F)s1 ZINC000438193807 1122686341 /nfs/dbraw/zinc/68/63/41/1122686341.db2.gz WIGVTQTVTJNGQC-NSHDSACASA-N 0 1 293.411 3.521 20 0 CHADMN CCOc1cccc(CN2CCC[C@@H]2c2ccsc2)n1 ZINC000153548173 1129071928 /nfs/dbraw/zinc/07/19/28/1129071928.db2.gz TZIOXQSUXDZSRO-OAHLLOKOSA-N 0 1 288.416 3.879 20 0 CHADMN COc1cnccc1[C@H](C)NC/C=C\c1ccc(F)cc1 ZINC000438465850 1122701478 /nfs/dbraw/zinc/70/14/78/1122701478.db2.gz LQXRFBBFCXZQLM-SCOBNMCVSA-N 0 1 286.350 3.593 20 0 CHADMN CCn1ccnc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC001250532156 1122708643 /nfs/dbraw/zinc/70/86/43/1122708643.db2.gz RDDQLGKNWDWMJM-UHFFFAOYSA-N 0 1 268.364 3.744 20 0 CHADMN COC(=O)[C@@H]1C[C@@H](C)CCN1CC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001193685972 1122709397 /nfs/dbraw/zinc/70/93/97/1122709397.db2.gz IIPGFYCBDZMOKW-SIRPWMCASA-N 0 1 295.467 3.722 20 0 CHADMN C=Cc1ccc(NC(=O)c2ccc(F)c(O)c2F)cc1 ZINC001193784539 1122716637 /nfs/dbraw/zinc/71/66/37/1122716637.db2.gz OCDZHIKGHRODJN-UHFFFAOYSA-N 0 1 275.254 3.566 20 0 CHADMN Cc1ccoc1CN[C@H](c1ccccc1)C1(CO)CCC1 ZINC000293874733 1122719122 /nfs/dbraw/zinc/71/91/22/1122719122.db2.gz JGXMGIWXAVDAOW-QGZVFWFLSA-N 0 1 285.387 3.582 20 0 CHADMN COCC[N@@H+](C)Cc1ccc(-c2cccc(F)c2)s1 ZINC000506354491 1122723250 /nfs/dbraw/zinc/72/32/50/1122723250.db2.gz XCOYNFWYJKJWTO-UHFFFAOYSA-N 0 1 279.380 3.632 20 0 CHADMN CC(C)c1nc(CN(C)[C@@H]2CC[C@@H](C)C2)cs1 ZINC000429602612 1122728167 /nfs/dbraw/zinc/72/81/67/1122728167.db2.gz YUZUKUDDMNRGSS-DGCLKSJQSA-N 0 1 252.427 3.887 20 0 CHADMN CCOc1cc(F)c(CN2C[C@@H]3CCC[C@H]3C2)c(F)c1 ZINC001143564783 1122737507 /nfs/dbraw/zinc/73/75/07/1122737507.db2.gz LIDCBKUXIAKXRL-RYUDHWBXSA-N 0 1 281.346 3.595 20 0 CHADMN CCN(CC(C)C)CN1c2cccc3cccc(c23)C1=O ZINC000193396879 1129075017 /nfs/dbraw/zinc/07/50/17/1129075017.db2.gz JVVMVBYQFKYSLQ-UHFFFAOYSA-N 0 1 282.387 3.735 20 0 CHADMN COc1ccccc1CN1CCSC[C@@H]1c1ccccc1 ZINC000506459119 1122747593 /nfs/dbraw/zinc/74/75/93/1122747593.db2.gz GUERTDRWORKCDQ-QGZVFWFLSA-N 0 1 299.439 3.985 20 0 CHADMN CC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000295730468 1122754478 /nfs/dbraw/zinc/75/44/78/1122754478.db2.gz VUYLBZZALJCVNE-KRWDZBQOSA-N 0 1 268.360 3.554 20 0 CHADMN CC(=O)c1ccc(CN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000295730468 1122754482 /nfs/dbraw/zinc/75/44/82/1122754482.db2.gz VUYLBZZALJCVNE-KRWDZBQOSA-N 0 1 268.360 3.554 20 0 CHADMN CO[C@H](CNCc1ncc(C)s1)c1ccc(Cl)cc1 ZINC000295876102 1122758446 /nfs/dbraw/zinc/75/84/46/1122758446.db2.gz XPNDDHCQTNPBHK-CYBMUJFWSA-N 0 1 296.823 3.582 20 0 CHADMN Cc1nocc1CN[C@@H](C)c1cccc(C2CC2)c1 ZINC000295956693 1122760612 /nfs/dbraw/zinc/76/06/12/1122760612.db2.gz HMODCWMLBGZGHU-NSHDSACASA-N 0 1 256.349 3.711 20 0 CHADMN COc1ccc(C2(NCc3ccns3)CCCC2)cc1 ZINC000638604257 1122766598 /nfs/dbraw/zinc/76/65/98/1122766598.db2.gz QPKWGDGUZMULBH-UHFFFAOYSA-N 0 1 288.416 3.711 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1nc(-c2cccs2)no1 ZINC000518622952 1122773700 /nfs/dbraw/zinc/77/37/00/1122773700.db2.gz LKDCUFKLBHLJBS-LLVKDONJSA-N 0 1 279.409 3.809 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@@H]2CCCc3c(O)cccc32)cn1 ZINC000518637872 1122774624 /nfs/dbraw/zinc/77/46/24/1122774624.db2.gz XXJGYIMVXHVWBA-CXAGYDPISA-N 0 1 299.418 3.898 20 0 CHADMN OCC[N@@H+](Cc1coc2ccccc12)Cc1cccc(F)c1 ZINC000426373528 1122776779 /nfs/dbraw/zinc/77/67/79/1122776779.db2.gz SSASWAZVYSKOET-UHFFFAOYSA-N 0 1 299.345 3.566 20 0 CHADMN OCCN(Cc1coc2ccccc12)Cc1cccc(F)c1 ZINC000426373528 1122776782 /nfs/dbraw/zinc/77/67/82/1122776782.db2.gz SSASWAZVYSKOET-UHFFFAOYSA-N 0 1 299.345 3.566 20 0 CHADMN CC(C)c1ccccc1N(C)C(=O)CN1CCC(C)CC1 ZINC000426378466 1122778513 /nfs/dbraw/zinc/77/85/13/1122778513.db2.gz PVTRPIHSJYZVEK-UHFFFAOYSA-N 0 1 288.435 3.505 20 0 CHADMN C[C@@H]1CCN(Cc2ccsc2Cl)CCS1 ZINC000426388836 1122780155 /nfs/dbraw/zinc/78/01/55/1122780155.db2.gz IYSIBRHOKZRPDS-SECBINFHSA-N 0 1 261.843 3.729 20 0 CHADMN CC[C@H]1C[N@H+]([C@@H](C)c2cc(F)ccc2F)CCCO1 ZINC000439483794 1122784904 /nfs/dbraw/zinc/78/49/04/1122784904.db2.gz MGUHAFAYTAQDIX-AAEUAGOBSA-N 0 1 269.335 3.527 20 0 CHADMN CC[C@H]1CN([C@@H](C)c2cc(F)ccc2F)CCCO1 ZINC000439483794 1122784907 /nfs/dbraw/zinc/78/49/07/1122784907.db2.gz MGUHAFAYTAQDIX-AAEUAGOBSA-N 0 1 269.335 3.527 20 0 CHADMN CN(Cc1ncc(-c2ccccc2)s1)C1CCC1 ZINC000153828185 1129077695 /nfs/dbraw/zinc/07/76/95/1129077695.db2.gz PBAIYAOLWFOEGU-UHFFFAOYSA-N 0 1 258.390 3.794 20 0 CHADMN CCCc1csc(CN(C)C2Cc3ccccc3C2)n1 ZINC000426420243 1122789703 /nfs/dbraw/zinc/78/97/03/1122789703.db2.gz LVYJZIPVKPBKBW-UHFFFAOYSA-N 0 1 286.444 3.695 20 0 CHADMN FC(F)n1c2ccccc2nc1CN1CC[C@H]2CCC[C@H]21 ZINC000426455226 1122796477 /nfs/dbraw/zinc/79/64/77/1122796477.db2.gz BSAVNRIVMFWSLL-DGCLKSJQSA-N 0 1 291.345 3.806 20 0 CHADMN Fc1ccc(Br)c(CN2CC[C@@H]3CCC[C@H]32)c1 ZINC000426461486 1122798473 /nfs/dbraw/zinc/79/84/73/1122798473.db2.gz SPQGDCSMUAECNE-IINYFYTJSA-N 0 1 298.199 3.963 20 0 CHADMN Brc1cc(CN2CC[C@H]3CCC[C@@H]32)cs1 ZINC000426464314 1122798778 /nfs/dbraw/zinc/79/87/78/1122798778.db2.gz WKLMIHOUYUDMPS-MNOVXSKESA-N 0 1 286.238 3.885 20 0 CHADMN CCOCC(C)(C)NCc1c(Cl)cccc1OCC ZINC001194755595 1122800139 /nfs/dbraw/zinc/80/01/39/1122800139.db2.gz UTMJCRQECLLTLY-UHFFFAOYSA-N 0 1 285.815 3.643 20 0 CHADMN CCc1ccccc1NC(=O)CN(C)CCCC(C)C ZINC000426479757 1122803846 /nfs/dbraw/zinc/80/38/46/1122803846.db2.gz MXTPIRNYWJFJLE-UHFFFAOYSA-N 0 1 276.424 3.556 20 0 CHADMN Cc1cccc(NC(=O)CN(C)CCCC(C)C)c1C ZINC000426492400 1122805431 /nfs/dbraw/zinc/80/54/31/1122805431.db2.gz QUNBNJXBFMEGPR-UHFFFAOYSA-N 0 1 276.424 3.610 20 0 CHADMN Cc1csc([C@H](C)NCc2cccc3cnccc32)n1 ZINC000080273011 1129079885 /nfs/dbraw/zinc/07/98/85/1129079885.db2.gz FYCMOPBXNVALCU-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN CC[C@H](NC[C@H](O)c1ccccc1Cl)c1nccs1 ZINC000080277568 1129080182 /nfs/dbraw/zinc/08/01/82/1129080182.db2.gz LQSIXKPJQBSZLF-STQMWFEESA-N 0 1 296.823 3.571 20 0 CHADMN CN(Cc1cnc(-c2ccco2)s1)[C@H]1CC1(C)C ZINC000426564284 1122822711 /nfs/dbraw/zinc/82/27/11/1122822711.db2.gz CMHIDCBGJAAUCT-LBPRGKRZSA-N 0 1 262.378 3.633 20 0 CHADMN COc1cccc2c1CCN(Cc1ccc(Cl)o1)CC2 ZINC000426569753 1122823352 /nfs/dbraw/zinc/82/33/52/1122823352.db2.gz DLWSLIVKXSIAOG-UHFFFAOYSA-N 0 1 291.778 3.542 20 0 CHADMN CCCCN(CC)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000426578235 1122825871 /nfs/dbraw/zinc/82/58/71/1122825871.db2.gz SMRKJMDCNKCADG-UHFFFAOYSA-N 0 1 299.418 3.956 20 0 CHADMN Cc1cccc2c1[C@@H](NCc1cc(C(C)C)no1)CC2 ZINC000925066501 1122826180 /nfs/dbraw/zinc/82/61/80/1122826180.db2.gz GJOMNRFIJBBJHO-HNNXBMFYSA-N 0 1 270.376 3.884 20 0 CHADMN O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc(O)c(Cl)c1 ZINC000440139813 1122826923 /nfs/dbraw/zinc/82/69/23/1122826923.db2.gz UIZRVXVMPCKSEF-DMDPSCGWSA-N 0 1 293.794 3.744 20 0 CHADMN Cc1cnc(CN2CCC[C@@]3(CCCc4ccccc43)C2)o1 ZINC000440320455 1122838078 /nfs/dbraw/zinc/83/80/78/1122838078.db2.gz XZGRPOSGXRFWQB-IBGZPJMESA-N 0 1 296.414 3.853 20 0 CHADMN Fc1ccc(CNCc2cnc(-c3ccncc3)s2)cc1 ZINC000440332166 1122838491 /nfs/dbraw/zinc/83/84/91/1122838491.db2.gz CJMNCASEUKHJAU-UHFFFAOYSA-N 0 1 299.374 3.634 20 0 CHADMN CCC[C@@H](C)CN(C)CC(=O)Nc1ccccc1Cl ZINC000775642477 1122852499 /nfs/dbraw/zinc/85/24/99/1122852499.db2.gz LBNQULGPNXJUML-GFCCVEGCSA-N 0 1 282.815 3.647 20 0 CHADMN c1cncc([C@H]2CCCN2Cc2nccc3c2CCCC3)c1 ZINC000894447605 1122854504 /nfs/dbraw/zinc/85/45/04/1122854504.db2.gz CCQQHBFTBIFQBR-LJQANCHMSA-N 0 1 293.414 3.693 20 0 CHADMN CSc1ccc(CN2C[C@H](C)C[C@@H]2c2cccnc2)o1 ZINC000894462536 1122858334 /nfs/dbraw/zinc/85/83/34/1122858334.db2.gz XEWHXHVYVIKHGU-IUODEOHRSA-N 0 1 288.416 3.980 20 0 CHADMN COC1CCC(CN2Cc3cccc(Cl)c3C2)CC1 ZINC000894512283 1122865365 /nfs/dbraw/zinc/86/53/65/1122865365.db2.gz VXJCORBDNVBGCB-UHFFFAOYSA-N 0 1 279.811 3.861 20 0 CHADMN CN(CCN1CC(C)(C)[C@H]1c1cccnc1)c1ccccc1 ZINC000664826719 1122868421 /nfs/dbraw/zinc/86/84/21/1122868421.db2.gz XGRMAQHKZVFCBF-GOSISDBHSA-N 0 1 295.430 3.601 20 0 CHADMN CCN(Cc1n[nH]c(C)c1C)c1ccc2[nH]ccc2c1 ZINC000894538855 1122870662 /nfs/dbraw/zinc/87/06/62/1122870662.db2.gz NKUJRUXNEZVVLX-UHFFFAOYSA-N 0 1 268.364 3.534 20 0 CHADMN C[C@@H]1CCCN(Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000041362706 1122872627 /nfs/dbraw/zinc/87/26/27/1122872627.db2.gz RUDKDGDQYVMPAN-GFCCVEGCSA-N 0 1 274.339 3.713 20 0 CHADMN CO[C@@H](CN1CC(C)(C)[C@@H]1c1ccncc1)c1ccccc1 ZINC000664830211 1122873922 /nfs/dbraw/zinc/87/39/22/1122873922.db2.gz SNFORJIFOOZUQL-ROUUACIJSA-N 0 1 296.414 3.852 20 0 CHADMN Cc1nc([C@](C)(NC[C@@H](C)C2CCCCC2)C2CC2)no1 ZINC000550139063 1122874841 /nfs/dbraw/zinc/87/48/41/1122874841.db2.gz QEODBUJCNHCTIV-SJKOYZFVSA-N 0 1 291.439 3.809 20 0 CHADMN CCc1cc(CCCN2CC(C)(C)[C@H]2c2ccncc2)on1 ZINC000664831069 1122875587 /nfs/dbraw/zinc/87/55/87/1122875587.db2.gz ZOVHZTNCDHTFEZ-QGZVFWFLSA-N 0 1 299.418 3.648 20 0 CHADMN Cc1cccc(CN(C)Cc2cnn(C)c2C2CC2)c1C ZINC000894581598 1122876620 /nfs/dbraw/zinc/87/66/20/1122876620.db2.gz LHWFRQSWNDOBOH-UHFFFAOYSA-N 0 1 283.419 3.546 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)C[C@@H](O)C1CCCCC1 ZINC000473738446 1122883628 /nfs/dbraw/zinc/88/36/28/1122883628.db2.gz BFSPXJGWENEGDI-SJKOYZFVSA-N 0 1 297.389 3.899 20 0 CHADMN Cc1nnc(CN[C@H]2C[C@H](c3ccccc3Cl)C2)s1 ZINC000894650068 1122885351 /nfs/dbraw/zinc/88/53/51/1122885351.db2.gz SVRGOAYXBKXMEI-XYPYZODXSA-N 0 1 293.823 3.536 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)C[C@@H](O)CC1CCCC1 ZINC000473750340 1122885692 /nfs/dbraw/zinc/88/56/92/1122885692.db2.gz WVPVRGXKUYGMCK-DOMZBBRYSA-N 0 1 297.389 3.899 20 0 CHADMN CC[C@H]1CN(CCSc2cccc(Cl)c2)[C@H](C)CO1 ZINC001195749390 1122887364 /nfs/dbraw/zinc/88/73/64/1122887364.db2.gz SFEAGLIOHSIERM-OCCSQVGLSA-N 0 1 299.867 3.931 20 0 CHADMN C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC001195798498 1122888668 /nfs/dbraw/zinc/88/86/68/1122888668.db2.gz OTMNHFXBGWENCT-KGLIPLIRSA-N 0 1 277.383 3.920 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1C[C@@H](C)OC2(CCCC2)C1 ZINC001195798498 1122888671 /nfs/dbraw/zinc/88/86/71/1122888671.db2.gz OTMNHFXBGWENCT-KGLIPLIRSA-N 0 1 277.383 3.920 20 0 CHADMN C[C@H]1CN(CC=C(Cl)Cl)CCc2ccccc21 ZINC001195808804 1122891237 /nfs/dbraw/zinc/89/12/37/1122891237.db2.gz CRFYPGBUZIIANB-NSHDSACASA-N 0 1 270.203 3.967 20 0 CHADMN C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1ccc(O)c(F)c1 ZINC000894706029 1122895666 /nfs/dbraw/zinc/89/56/66/1122895666.db2.gz CNLMMJZFLSIBAC-GXSJLCMTSA-N 0 1 291.288 3.694 20 0 CHADMN CC(C)c1nnc(CNCC(C)(C)C2CCC2)s1 ZINC000894714519 1122896367 /nfs/dbraw/zinc/89/63/67/1122896367.db2.gz CZECTJWDEQEVMF-UHFFFAOYSA-N 0 1 267.442 3.577 20 0 CHADMN CCOc1cc(F)c(CN2CCC[C@H]2CC)c(F)c1 ZINC001143574987 1122896468 /nfs/dbraw/zinc/89/64/68/1122896468.db2.gz NULMBXMSLNVHKQ-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN C[C@@H]1CCCC[C@@H]1Sc1nc(-c2ccccc2O)n[nH]1 ZINC000629111579 1122904661 /nfs/dbraw/zinc/90/46/61/1122904661.db2.gz KELXACSNIHFLOP-MFKMUULPSA-N 0 1 289.404 3.848 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@H]1NCc1cccc2c1NCCC2 ZINC000894785920 1122906379 /nfs/dbraw/zinc/90/63/79/1122906379.db2.gz AGHOHDFKALCGKI-UGSOOPFHSA-N 0 1 294.398 3.657 20 0 CHADMN Clc1ccc2nc(-c3ccc4nccn4c3)[nH]c2c1 ZINC001250979104 1122907028 /nfs/dbraw/zinc/90/70/28/1122907028.db2.gz UEDNKTSTCBDOJE-UHFFFAOYSA-N 0 1 268.707 3.531 20 0 CHADMN CC(C)CCCCN(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000894797264 1122907196 /nfs/dbraw/zinc/90/71/96/1122907196.db2.gz KSJJHTKTBIVXRE-INIZCTEOSA-N 0 1 286.423 3.652 20 0 CHADMN C[C@@H]1CC[N@@H+](C/C=C/c2ccc(Cl)cc2)C[C@H](C)O1 ZINC001196150494 1122908223 /nfs/dbraw/zinc/90/82/23/1122908223.db2.gz ZIUBMPYOEVDDSK-JKWAOEONSA-N 0 1 279.811 3.853 20 0 CHADMN COC(=O)[C@]1(NC[C@H]2CCC[C@H](C)C2)CCCC(C)(C)C1 ZINC001196239191 1122914065 /nfs/dbraw/zinc/91/40/65/1122914065.db2.gz YWFAWYGNEIUDTK-MPGHIAIKSA-N 0 1 295.467 3.914 20 0 CHADMN C[C@H]1CC(C)(C)CC[C@H]1NCc1nnc(C(C)(C)C)o1 ZINC000775707485 1122916056 /nfs/dbraw/zinc/91/60/56/1122916056.db2.gz KWBAJMVFUZJBHI-NWDGAFQWSA-N 0 1 279.428 3.672 20 0 CHADMN CN(CC1CCCCC1)C(=O)c1cc(Cl)c(F)cc1O ZINC001196465664 1122923273 /nfs/dbraw/zinc/92/32/73/1122923273.db2.gz AXTBPFJWIQHYAZ-UHFFFAOYSA-N 0 1 299.773 3.837 20 0 CHADMN Cc1ccc(CN(C)C[C@H]2CCC[C@H](C(F)(F)F)O2)o1 ZINC000929213442 1129087040 /nfs/dbraw/zinc/08/70/40/1129087040.db2.gz ICCADXZZAITOBA-DGCLKSJQSA-N 0 1 291.313 3.520 20 0 CHADMN Cc1cc(C)cc(NC(=O)CN2C[C@@H]3CCCC[C@@]32C)c1 ZINC001196667315 1122929463 /nfs/dbraw/zinc/92/94/63/1122929463.db2.gz QJZDGDLNQWXFSX-YJBOKZPZSA-N 0 1 286.419 3.506 20 0 CHADMN CCCCN1CCc2cccc(C(F)(F)F)c2C1 ZINC001196694361 1122929780 /nfs/dbraw/zinc/92/97/80/1122929780.db2.gz YQFYPHMHFPUKAN-UHFFFAOYSA-N 0 1 257.299 3.864 20 0 CHADMN COc1cc(CN2Cc3ccccc3C[C@@H]2C)cc(OC)c1 ZINC001203857700 1122930738 /nfs/dbraw/zinc/93/07/38/1122930738.db2.gz JQYLHVJVARNIOO-AWEZNQCLSA-N 0 1 297.398 3.651 20 0 CHADMN CSc1cc(NC2=CC[C@@H](C(F)(F)F)CC2)nn1C ZINC001196888128 1122936399 /nfs/dbraw/zinc/93/63/99/1122936399.db2.gz DMBXGPNJUGMXJH-MRVPVSSYSA-N 0 1 291.342 3.800 20 0 CHADMN CC[N@@H+](Cc1cc(C(F)(F)F)ccc1F)C1CC1 ZINC000507221055 1122937347 /nfs/dbraw/zinc/93/73/47/1122937347.db2.gz DSQGXBAVIQJIGX-UHFFFAOYSA-N 0 1 261.262 3.829 20 0 CHADMN CCN(Cc1cc(C(F)(F)F)ccc1F)C1CC1 ZINC000507221055 1122937348 /nfs/dbraw/zinc/93/73/48/1122937348.db2.gz DSQGXBAVIQJIGX-UHFFFAOYSA-N 0 1 261.262 3.829 20 0 CHADMN Cc1nocc1C[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000507195771 1122937956 /nfs/dbraw/zinc/93/79/56/1122937956.db2.gz VWVDTVJGIIYWOI-CQSZACIVSA-N 0 1 258.365 3.793 20 0 CHADMN Cc1nocc1CN(C)[C@H](C)c1cc(C)ccc1C ZINC000507195771 1122937958 /nfs/dbraw/zinc/93/79/58/1122937958.db2.gz VWVDTVJGIIYWOI-CQSZACIVSA-N 0 1 258.365 3.793 20 0 CHADMN COc1cc2[nH]c(-c3cc(C)nc(C)c3)nc2cc1C ZINC001251059116 1122938060 /nfs/dbraw/zinc/93/80/60/1122938060.db2.gz DGJGUEXXIQNQMK-UHFFFAOYSA-N 0 1 267.332 3.559 20 0 CHADMN CCCN(Cc1nc2ccc(Cl)cc2n1C)C1CC1 ZINC000507253959 1122942356 /nfs/dbraw/zinc/94/23/56/1122942356.db2.gz SYFOHNRWDLUYAI-UHFFFAOYSA-N 0 1 277.799 3.601 20 0 CHADMN C[C@H]1CCC[C@@H](CN2Cc3cccnc3N3CCC[C@@H]3C2)C1 ZINC001197086036 1122943679 /nfs/dbraw/zinc/94/36/79/1122943679.db2.gz BNJBOMHUWJUFAT-LZLYRXPVSA-N 0 1 299.462 3.692 20 0 CHADMN Cc1sccc1CN1CCOC[C@@H]1Cc1ccccc1 ZINC000507267404 1122945232 /nfs/dbraw/zinc/94/52/32/1122945232.db2.gz MCRACJBZURBCRP-KRWDZBQOSA-N 0 1 287.428 3.500 20 0 CHADMN Cc1cc2nc(-c3cc(F)ccc3N)[nH]c2cc1Cl ZINC001251132520 1122946129 /nfs/dbraw/zinc/94/61/29/1122946129.db2.gz DUBLOTCEDNKKGX-UHFFFAOYSA-N 0 1 275.714 3.913 20 0 CHADMN COc1ccc([C@H]2COCCN2CC2CCCCC2)cc1 ZINC001197230732 1122949685 /nfs/dbraw/zinc/94/96/85/1122949685.db2.gz PUIFSSKBSIEGKN-GOSISDBHSA-N 0 1 289.419 3.649 20 0 CHADMN CC(=O)c1ccc(C(=O)Nc2cccc(Cl)c2O)s1 ZINC000334180882 1122968173 /nfs/dbraw/zinc/96/81/73/1122968173.db2.gz DTINFWCGFIDJHK-UHFFFAOYSA-N 0 1 295.747 3.562 20 0 CHADMN Cc1cc(Cl)cc(CN[C@H]2CCCc3c[nH]nc32)c1 ZINC000334198392 1122969914 /nfs/dbraw/zinc/96/99/14/1122969914.db2.gz LODMMKCHMMEDNG-AWEZNQCLSA-N 0 1 275.783 3.539 20 0 CHADMN CO[C@@]1(C)CCC[N@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000348223393 1122975582 /nfs/dbraw/zinc/97/55/82/1122975582.db2.gz GSDXSPKXXPLKGE-NHYWBVRUSA-N 0 1 269.335 3.527 20 0 CHADMN CO[C@@]1(C)CCCN([C@@H](C)c2c(F)cccc2F)C1 ZINC000348223393 1122975585 /nfs/dbraw/zinc/97/55/85/1122975585.db2.gz GSDXSPKXXPLKGE-NHYWBVRUSA-N 0 1 269.335 3.527 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cc(C)ccn2)cc1F ZINC000514098284 1122975636 /nfs/dbraw/zinc/97/56/36/1122975636.db2.gz FSXHCIDZNFFFBU-CHWSQXEVSA-N 0 1 288.366 3.950 20 0 CHADMN CCCCC[C@@H](CC)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000775806276 1122977320 /nfs/dbraw/zinc/97/73/20/1122977320.db2.gz YQALCGDNDLZJTD-CHWSQXEVSA-N 0 1 294.443 3.712 20 0 CHADMN Cc1cccc(CN2CCO[C@@](C)(c3ccc(F)cc3)C2)c1 ZINC001203894805 1122980409 /nfs/dbraw/zinc/98/04/09/1122980409.db2.gz KFELJLJBQCHPSH-LJQANCHMSA-N 0 1 299.389 3.882 20 0 CHADMN CC[C@]1(C)CCCN(Cc2nc3ccccc3n2C)C1 ZINC000353692061 1122982335 /nfs/dbraw/zinc/98/23/35/1122982335.db2.gz VCXDJXWLDUSBBM-QGZVFWFLSA-N 0 1 271.408 3.585 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)N[C@@H](C)C2(C)CC2)n1 ZINC001198406045 1122990617 /nfs/dbraw/zinc/99/06/17/1122990617.db2.gz DXZPKIGRLIBBDL-OLZOCXBDSA-N 0 1 285.391 3.884 20 0 CHADMN CCC[C@H](CN[C@@H](c1cccc(C)c1)c1ccccn1)OC ZINC000638814154 1122993989 /nfs/dbraw/zinc/99/39/89/1122993989.db2.gz VKCCSTYOMIPTOJ-MJGOQNOKSA-N 0 1 298.430 3.884 20 0 CHADMN Cc1ncoc1CN1Cc2cc(C)ccc2CC1(C)C ZINC000894863100 1122996828 /nfs/dbraw/zinc/99/68/28/1122996828.db2.gz QCLICAJVHDFLOZ-UHFFFAOYSA-N 0 1 270.376 3.628 20 0 CHADMN CC(C)CCc1noc(CNC2(C3CCCCC3)CC2)n1 ZINC001198541917 1122998934 /nfs/dbraw/zinc/99/89/34/1122998934.db2.gz QNKRKLZAXMNFRU-UHFFFAOYSA-N 0 1 291.439 3.861 20 0 CHADMN Cc1cccc2c1CCN(Cc1cccc(F)c1)C2 ZINC000729477947 1123000175 /nfs/dbraw/zinc/00/01/75/1123000175.db2.gz NDOXFKSDXZLQHD-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN CSc1ccccc1CN[C@H](C)c1ncccc1C ZINC001198642304 1123003260 /nfs/dbraw/zinc/00/32/60/1123003260.db2.gz YHNAKQVLVLEJPX-CYBMUJFWSA-N 0 1 272.417 3.963 20 0 CHADMN Cc1cccc(NC(=S)Nc2ncc(Cl)cc2O)c1 ZINC001198651714 1123003414 /nfs/dbraw/zinc/00/34/14/1123003414.db2.gz ATEPQGWTXRXLKG-UHFFFAOYSA-N 0 1 293.779 3.558 20 0 CHADMN Cc1ccc(O)c(CN[C@H]2CCc3sc(Cl)cc32)n1 ZINC000334397111 1123005949 /nfs/dbraw/zinc/00/59/49/1123005949.db2.gz WMPYVFVEVQCFMO-JTQLQIEISA-N 0 1 294.807 3.588 20 0 CHADMN Cc1cccc(NC(=S)Nc2c(O)cc(F)cc2F)c1 ZINC001198683351 1123006784 /nfs/dbraw/zinc/00/67/84/1123006784.db2.gz WGGWYMAPCYOTBJ-UHFFFAOYSA-N 0 1 294.326 3.788 20 0 CHADMN C[C@@H]1CCC[C@@H](Sc2nc(-c3ccccc3O)n[nH]2)C1 ZINC000519623361 1123009524 /nfs/dbraw/zinc/00/95/24/1123009524.db2.gz HKVPYDWMHQGVGQ-GHMZBOCLSA-N 0 1 289.404 3.848 20 0 CHADMN Cc1nnc(CN2CCC[C@H](c3ccccc3)CC2)s1 ZINC000334427116 1123010010 /nfs/dbraw/zinc/01/00/10/1123010010.db2.gz WQXLCAIKUAXYRS-HNNXBMFYSA-N 0 1 287.432 3.616 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3C[C@H](C)C[C@H]3C)n[nH]2)cc1C ZINC000440534196 1123012753 /nfs/dbraw/zinc/01/27/53/1123012753.db2.gz SSZDSUKDQBNHTE-BXUZGUMPSA-N 0 1 297.402 3.564 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CC[C@@H](C)[C@@H]3C)n[nH]2)cc1C ZINC000440535604 1123013339 /nfs/dbraw/zinc/01/33/39/1123013339.db2.gz NURUQJCMZVFUAP-OCCSQVGLSA-N 0 1 297.402 3.564 20 0 CHADMN CC1(C)CN(c2ccnc3ccccc32)[C@@H]2CCC[C@H]2O1 ZINC000440552361 1123014752 /nfs/dbraw/zinc/01/47/52/1123014752.db2.gz WEQNTXVYECIUDN-IAGOWNOFSA-N 0 1 282.387 3.771 20 0 CHADMN CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1CC/C=C/c1ccccc1 ZINC001198873149 1123014870 /nfs/dbraw/zinc/01/48/70/1123014870.db2.gz YYYBESXPMDFNTK-VZQQOOJGSA-N 0 1 299.414 3.506 20 0 CHADMN CC(C)(C)OC1CC(N2CC[C@H]2c2cccc(F)c2)C1 ZINC000775927718 1123018485 /nfs/dbraw/zinc/01/84/85/1123018485.db2.gz SDMVKIAVJGZYKJ-GPANFISMSA-N 0 1 277.383 3.919 20 0 CHADMN Fc1ccc(/C=C\CNCc2ccccc2F)c(F)c1 ZINC001199001323 1123018717 /nfs/dbraw/zinc/01/87/17/1123018717.db2.gz MRFZBBCUOBXHNM-HYXAFXHYSA-N 0 1 277.289 3.907 20 0 CHADMN Cc1cccc(OCCNCc2ncc(C(C)C)s2)c1 ZINC001198990460 1123018850 /nfs/dbraw/zinc/01/88/50/1123018850.db2.gz KKZYZLMZORAHNE-UHFFFAOYSA-N 0 1 290.432 3.744 20 0 CHADMN FC(F)(F)c1cc(CNCc2ccc(C3CC3)cc2)[nH]n1 ZINC000440634575 1123023193 /nfs/dbraw/zinc/02/31/93/1123023193.db2.gz GXKKAMTWDPPGGI-UHFFFAOYSA-N 0 1 295.308 3.596 20 0 CHADMN C[C@H]1Oc2cc(F)ccc2[C@H]1NCc1ccc(F)cc1 ZINC000519790627 1123025392 /nfs/dbraw/zinc/02/53/92/1123025392.db2.gz VVXCBOYDRNUKEK-HWPZZCPQSA-N 0 1 275.298 3.577 20 0 CHADMN Cc1cc(F)c(CNCCO[C@H]2CCCC[C@@H]2C)c(F)c1 ZINC001199277261 1123027855 /nfs/dbraw/zinc/02/78/55/1123027855.db2.gz YQQYAEBIKFHCKE-GUYCJALGSA-N 0 1 297.389 3.958 20 0 CHADMN CC[C@@H](NCc1cnc2ccccn12)c1ccccc1OC ZINC000775970944 1123031783 /nfs/dbraw/zinc/03/17/83/1123031783.db2.gz DXGFCPMDALIGJR-MRXNPFEDSA-N 0 1 295.386 3.584 20 0 CHADMN CC[C@@H](F)CN1CCC[C@H]1c1ccc(OC)cc1OC ZINC000440711391 1123032306 /nfs/dbraw/zinc/03/23/06/1123032306.db2.gz JERZYTKFELNRRI-DOMZBBRYSA-N 0 1 281.371 3.589 20 0 CHADMN CCOc1ccccc1[C@H](CC)NC[C@H](F)CC ZINC000440779112 1123038214 /nfs/dbraw/zinc/03/82/14/1123038214.db2.gz CXKMJGOFPYTBIB-OCCSQVGLSA-N 0 1 253.361 3.874 20 0 CHADMN CC[C@H](F)CN(C)Cc1cccc(OC(F)(F)F)c1 ZINC000440782401 1123038554 /nfs/dbraw/zinc/03/85/54/1123038554.db2.gz KJNKTXRHFPZURI-NSHDSACASA-N 0 1 279.277 3.765 20 0 CHADMN CC1(C)COCCN1Cc1ccc(C2CCC2)cc1 ZINC000507734286 1123052282 /nfs/dbraw/zinc/05/22/82/1123052282.db2.gz VGJFRIHBHQLBOK-UHFFFAOYSA-N 0 1 259.393 3.565 20 0 CHADMN CCC(CC)n1ccc(CN2CCCC[C@@H](SC)C2)n1 ZINC000441123718 1123060717 /nfs/dbraw/zinc/06/07/17/1123060717.db2.gz KGQQCHVHLHUNIM-MRXNPFEDSA-N 0 1 295.496 3.962 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1cnsc1 ZINC001200864253 1123061932 /nfs/dbraw/zinc/06/19/32/1123061932.db2.gz UEVPMMOSAFZBHL-BMIGLBTASA-N 0 1 276.380 3.695 20 0 CHADMN CC(C)(C)NC(=S)Nc1c(Cl)ccc(O)c1Cl ZINC001200908287 1123062799 /nfs/dbraw/zinc/06/27/99/1123062799.db2.gz POSDEFIMMGWMHB-UHFFFAOYSA-N 0 1 293.219 3.784 20 0 CHADMN CC(C)c1nc(CNCC[C@H]2CCC3(CCC3)O2)cs1 ZINC000717000597 1123072187 /nfs/dbraw/zinc/07/21/87/1123072187.db2.gz MSUKEZZCEYFSDD-CQSZACIVSA-N 0 1 294.464 3.848 20 0 CHADMN Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](C)CC2)c(C)c1C ZINC000441266397 1123073705 /nfs/dbraw/zinc/07/37/05/1123073705.db2.gz HXRFXIUIQDYRTI-LLVKDONJSA-N 0 1 294.464 3.734 20 0 CHADMN Cc1sc(NC(=O)CN2CCC[C@@H](C)CC2)c(C)c1C ZINC000441266397 1123073709 /nfs/dbraw/zinc/07/37/09/1123073709.db2.gz HXRFXIUIQDYRTI-LLVKDONJSA-N 0 1 294.464 3.734 20 0 CHADMN CC(C)=CCC[C@H](C)CN(C)CC(=O)OC(C)(C)C ZINC001201486748 1123107857 /nfs/dbraw/zinc/10/78/57/1123107857.db2.gz PYZHEFUGRGWBJE-AWEZNQCLSA-N 0 1 269.429 3.642 20 0 CHADMN CCN(Cc1ccncc1)Cc1cc(C)cc(F)c1 ZINC001143580680 1123074422 /nfs/dbraw/zinc/07/44/22/1123074422.db2.gz RTTSRRBFPYRVBJ-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN CC[C@H]1CCCCN1Cc1nnc(-c2ccccc2)s1 ZINC000155089021 1129097465 /nfs/dbraw/zinc/09/74/65/1129097465.db2.gz PYTGYDDDOIMRIT-AWEZNQCLSA-N 0 1 287.432 3.970 20 0 CHADMN Cc1cc(F)ncc1CNCc1cnccc1C(C)(C)C ZINC000894907715 1123082867 /nfs/dbraw/zinc/08/28/67/1123082867.db2.gz SQRHDYZMEGEDJQ-UHFFFAOYSA-N 0 1 287.382 3.511 20 0 CHADMN CN1Cc2ccc(NCc3ccc4cc[nH]c4c3)cc2C1 ZINC001201256677 1123083837 /nfs/dbraw/zinc/08/38/37/1123083837.db2.gz GSCYVSNZWLCBON-UHFFFAOYSA-N 0 1 277.371 3.725 20 0 CHADMN CSc1ccc([C@@H](C)N[C@H](C)c2cncnc2C)cc1 ZINC000520428054 1123090413 /nfs/dbraw/zinc/09/04/13/1123090413.db2.gz JMMAWEGXIYXYJO-DGCLKSJQSA-N 0 1 287.432 3.919 20 0 CHADMN CCCCCC(C)(C)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000760031344 1123093077 /nfs/dbraw/zinc/09/30/77/1123093077.db2.gz NSUKMWWRTXAJSE-UHFFFAOYSA-N 0 1 278.400 3.617 20 0 CHADMN CCCCCC(C)(C)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000760031344 1123093080 /nfs/dbraw/zinc/09/30/80/1123093080.db2.gz NSUKMWWRTXAJSE-UHFFFAOYSA-N 0 1 278.400 3.617 20 0 CHADMN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)n1 ZINC000112716516 1123094984 /nfs/dbraw/zinc/09/49/84/1123094984.db2.gz ZPXVZPPDWQNVMP-UONOGXRCSA-N 0 1 276.424 3.790 20 0 CHADMN c1ccc(CN(Cc2cccnc2)C[C@H]2CC=CCC2)nc1 ZINC001201415704 1123097312 /nfs/dbraw/zinc/09/73/12/1123097312.db2.gz FXYMVFNRMUDFAH-KRWDZBQOSA-N 0 1 293.414 3.835 20 0 CHADMN COCC[C@@H](C)Nc1cc(C)nc2ccc(F)cc21 ZINC000123937820 1123105252 /nfs/dbraw/zinc/10/52/52/1123105252.db2.gz JFHFGKQFJIXAIX-SNVBAGLBSA-N 0 1 262.328 3.519 20 0 CHADMN CC(C)(C)CN1CC2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001201442832 1123105709 /nfs/dbraw/zinc/10/57/09/1123105709.db2.gz KIABCJDQIOJKKI-UHFFFAOYSA-N 0 1 296.455 3.508 20 0 CHADMN C[C@@H](NCc1ccc(Cl)s1)C(=O)Nc1ccccc1 ZINC000070211604 1123106084 /nfs/dbraw/zinc/10/60/84/1123106084.db2.gz DQKMHMIGJMMSFO-SNVBAGLBSA-N 0 1 294.807 3.518 20 0 CHADMN CC(C)=CCC[C@@H](C)CN1CCO[C@@H](c2ccccn2)C1 ZINC001201497977 1123111193 /nfs/dbraw/zinc/11/11/93/1123111193.db2.gz ZXHOJJOQLYHFMC-SJLPKXTDSA-N 0 1 288.435 3.837 20 0 CHADMN CC[C@H](C)CN1CCc2ccc(Br)cc2C1 ZINC001201510940 1123113823 /nfs/dbraw/zinc/11/38/23/1123113823.db2.gz AOJUHXWFOAUNPB-NSHDSACASA-N 0 1 282.225 3.853 20 0 CHADMN CC(C)Cc1ccc(CNCc2cccc(N(C)C)n2)cc1 ZINC001201536608 1123115726 /nfs/dbraw/zinc/11/57/26/1123115726.db2.gz TWTUBIHWFWYBSD-UHFFFAOYSA-N 0 1 297.446 3.636 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C[C@@H]3C=CCCC3)c2C)o1 ZINC000188465045 1123116786 /nfs/dbraw/zinc/11/67/86/1123116786.db2.gz JXLCNQHURQRCNM-CYBMUJFWSA-N 0 1 299.374 3.971 20 0 CHADMN CCCC[C@H](CC)CN1CCc2cnc(SC)nc2C1 ZINC001201568222 1123125553 /nfs/dbraw/zinc/12/55/53/1123125553.db2.gz PHLVGFPCOQFALK-ZDUSSCGKSA-N 0 1 293.480 3.773 20 0 CHADMN CCCC[C@@H](CC)CN1CCO[C@@H](c2ccncc2)C1 ZINC001201568654 1123125903 /nfs/dbraw/zinc/12/59/03/1123125903.db2.gz VPVYCBYEOQWQNT-NVXWUHKLSA-N 0 1 276.424 3.671 20 0 CHADMN CCOC[C@H](C)NCc1cc(Cl)sc1Cl ZINC000336764700 1123128176 /nfs/dbraw/zinc/12/81/76/1123128176.db2.gz QCEPGQOVDUWJII-ZETCQYMHSA-N 0 1 268.209 3.570 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000441448994 1123128667 /nfs/dbraw/zinc/12/86/67/1123128667.db2.gz PZXYBXVXANWOAF-UONOGXRCSA-N 0 1 287.382 3.632 20 0 CHADMN COC1(CNCc2csc(Cl)c2Cl)CCC1 ZINC000336765947 1123130603 /nfs/dbraw/zinc/13/06/03/1123130603.db2.gz ORSUYKLUJXLXTO-UHFFFAOYSA-N 0 1 280.220 3.714 20 0 CHADMN COc1cc(C)cc(CNCc2cc(C)ccc2F)c1 ZINC001201600981 1123131044 /nfs/dbraw/zinc/13/10/44/1123131044.db2.gz REBULKIDDWXXEP-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN Cc1nc2c(s1)[C@H](NCc1cc(F)ccc1F)CCC2 ZINC001201616760 1123131927 /nfs/dbraw/zinc/13/19/27/1123131927.db2.gz AITRIGVSWCQUHO-CYBMUJFWSA-N 0 1 294.370 3.897 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2CCCc3ccccc32)o1 ZINC000291980349 1123132941 /nfs/dbraw/zinc/13/29/41/1123132941.db2.gz VJQBVPKAFJNQJJ-OAHLLOKOSA-N 0 1 270.376 3.713 20 0 CHADMN CCCN1CCSC[C@@H]1c1cccc(Cl)c1 ZINC001201646077 1123135922 /nfs/dbraw/zinc/13/59/22/1123135922.db2.gz RTESVWNEUIKDDN-CYBMUJFWSA-N 0 1 255.814 3.840 20 0 CHADMN Cc1cc(Nc2ccc(C3CC3)nc2)n(-c2ccncc2)n1 ZINC001201708784 1123138598 /nfs/dbraw/zinc/13/85/98/1123138598.db2.gz WFYBBGCTLAREAF-UHFFFAOYSA-N 0 1 291.358 3.592 20 0 CHADMN CCOC[C@@H](C)NCc1csc(Cl)c1Cl ZINC000336772570 1123142506 /nfs/dbraw/zinc/14/25/06/1123142506.db2.gz XSSDXAVHJQTKMA-SSDOTTSWSA-N 0 1 268.209 3.570 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000076146058 1123144972 /nfs/dbraw/zinc/14/49/72/1123144972.db2.gz UPWVIZRZCXKKNJ-INIZCTEOSA-N 0 1 289.379 3.732 20 0 CHADMN CCCCC[N@H+]1CCO[C@](C)(c2ccc(C)cc2)C1 ZINC001201735527 1123149211 /nfs/dbraw/zinc/14/92/11/1123149211.db2.gz UBPPUMRZIBRHMP-KRWDZBQOSA-N 0 1 261.409 3.733 20 0 CHADMN Cc1cc(CN[C@H](C)c2c(C)oc3ccccc32)[nH]n1 ZINC000925104980 1123151846 /nfs/dbraw/zinc/15/18/46/1123151846.db2.gz ZCXUJUQOTJVTMT-LLVKDONJSA-N 0 1 269.348 3.624 20 0 CHADMN CCCN(Cc1nc(-c2ccc(CC)cc2)no1)C1CC1 ZINC000507765897 1123154881 /nfs/dbraw/zinc/15/48/81/1123154881.db2.gz HVNQPXQPAGDJFK-UHFFFAOYSA-N 0 1 285.391 3.673 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1CCC(=O)[C@H](C)C1 ZINC001201974808 1123158761 /nfs/dbraw/zinc/15/87/61/1123158761.db2.gz FNROBQFTXZCLMU-LSDHHAIUSA-N 0 1 251.414 3.670 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CCC(=O)[C@H](C)C1 ZINC001201974808 1123158763 /nfs/dbraw/zinc/15/87/63/1123158763.db2.gz FNROBQFTXZCLMU-LSDHHAIUSA-N 0 1 251.414 3.670 20 0 CHADMN CC(C)c1ccc(CN2CCN(C/C=C/Cl)CC2)cc1 ZINC000058474634 1123160153 /nfs/dbraw/zinc/16/01/53/1123160153.db2.gz POHTXVRJYXIXHK-FPYGCLRLSA-N 0 1 292.854 3.680 20 0 CHADMN ClC1(Cl)C[C@@H]1CN1CC[C@H]1c1ccccc1 ZINC000749115918 1123162986 /nfs/dbraw/zinc/16/29/86/1123162986.db2.gz UUGOSROLJMKNEJ-NEPJUHHUSA-N 0 1 256.176 3.627 20 0 CHADMN CCCCC[C@H](CC)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000776230829 1123165021 /nfs/dbraw/zinc/16/50/21/1123165021.db2.gz AKASRXGQCOXOCD-VIFPVBQESA-N 0 1 291.317 3.974 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccc3cc[nH]c3c1)CCO2 ZINC001202011152 1123165932 /nfs/dbraw/zinc/16/59/32/1123165932.db2.gz VKCWPDCEGPDCHT-INIZCTEOSA-N 0 1 296.345 3.920 20 0 CHADMN Cc1cccc2c1CC[C@@H]2N[C@H](C)c1ccccn1 ZINC000152325701 1123166216 /nfs/dbraw/zinc/16/62/16/1123166216.db2.gz YZWPSSBPNRVMDH-DYVFJYSZSA-N 0 1 252.361 3.728 20 0 CHADMN Cc1cccc2c1CC[C@H]2N[C@@H](C)c1ccccn1 ZINC000152325610 1123166828 /nfs/dbraw/zinc/16/68/28/1123166828.db2.gz YZWPSSBPNRVMDH-SUMWQHHRSA-N 0 1 252.361 3.728 20 0 CHADMN CC[C@@H]1C[C@H](C[N@H+]2CCc3c(F)ccc(F)c3C2)CCO1 ZINC000507776679 1123170537 /nfs/dbraw/zinc/17/05/37/1123170537.db2.gz NXTQYNDFYAGUFR-CHWSQXEVSA-N 0 1 295.373 3.528 20 0 CHADMN CC[C@@H]1C[C@H](CN2CCc3c(F)ccc(F)c3C2)CCO1 ZINC000507776679 1123170538 /nfs/dbraw/zinc/17/05/38/1123170538.db2.gz NXTQYNDFYAGUFR-CHWSQXEVSA-N 0 1 295.373 3.528 20 0 CHADMN CCCOc1ccc(CNCc2cc(C)ns2)c(C)c1 ZINC000639093164 1123172463 /nfs/dbraw/zinc/17/24/63/1123172463.db2.gz CWCYLKDROXKNDB-UHFFFAOYSA-N 0 1 290.432 3.839 20 0 CHADMN Cc1coc(CN[C@@H](c2ccccc2)C2(CO)CC=CC2)c1 ZINC000895084898 1123178374 /nfs/dbraw/zinc/17/83/74/1123178374.db2.gz KGTKDDZTPYCLTD-SFHVURJKSA-N 0 1 297.398 3.748 20 0 CHADMN Cc1cc(C)c(/C=C/CN[C@H](CCO)c2ccco2)c(C)c1 ZINC001202111308 1123178674 /nfs/dbraw/zinc/17/86/74/1123178674.db2.gz QHLMFBPGKLJOBT-MJICGBHWSA-N 0 1 299.414 3.931 20 0 CHADMN c1ccc(-c2ncc3c(n2)CN(CC2CCCC2)C3)cc1 ZINC001202178138 1123181945 /nfs/dbraw/zinc/18/19/45/1123181945.db2.gz JTRMXKNUSMHTAM-UHFFFAOYSA-N 0 1 279.387 3.649 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Br)s2)[C@@H]1C ZINC000307359983 1123185423 /nfs/dbraw/zinc/18/54/23/1123185423.db2.gz DQHKAZFOIZJCJW-RKDXNWHRSA-N 0 1 274.227 3.741 20 0 CHADMN Clc1ccc(CNCc2ccc3cccnc3c2)nc1 ZINC000776255476 1123188341 /nfs/dbraw/zinc/18/83/41/1123188341.db2.gz YYWQWVWINUNUBZ-UHFFFAOYSA-N 0 1 283.762 3.573 20 0 CHADMN Cc1cnccc1[NH+]=C([O-])N1CCC[C@@H](C)c2ccccc21 ZINC001202237396 1123192459 /nfs/dbraw/zinc/19/24/59/1123192459.db2.gz UGVUFBBSOZANFS-CYBMUJFWSA-N 0 1 295.386 3.748 20 0 CHADMN Cc1oc(C(C)(C)C)cc1CNCc1ccc(CO)cc1 ZINC000895097366 1123197814 /nfs/dbraw/zinc/19/78/14/1123197814.db2.gz OJRQJQWSLWSEKP-UHFFFAOYSA-N 0 1 287.403 3.668 20 0 CHADMN Cc1cccc(NC(=O)Nc2c(O)cc(F)cc2F)c1 ZINC001202315392 1123197922 /nfs/dbraw/zinc/19/79/22/1123197922.db2.gz CKGGICIDRWNWQB-UHFFFAOYSA-N 0 1 278.258 3.623 20 0 CHADMN Cc1cccc(NC(=O)Nc2ccc(F)c(F)c2O)c1 ZINC001202318324 1123198780 /nfs/dbraw/zinc/19/87/80/1123198780.db2.gz XQZZBTDNGKNTMS-UHFFFAOYSA-N 0 1 278.258 3.623 20 0 CHADMN O=C(Nc1ccc(Cl)cc1)Nc1cc(O)c(F)c(F)c1 ZINC001202376445 1123204423 /nfs/dbraw/zinc/20/44/23/1123204423.db2.gz UQUSGQCOCJBUEF-UHFFFAOYSA-N 0 1 298.676 3.968 20 0 CHADMN CCn1cncc1CN(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000417715650 1123204774 /nfs/dbraw/zinc/20/47/74/1123204774.db2.gz KMQXOZDCXYRENF-LJQANCHMSA-N 0 1 295.430 3.945 20 0 CHADMN CC[N@@H+](Cc1cccs1)Cc1cc(OC)cc(OC)c1 ZINC000119995915 1123208583 /nfs/dbraw/zinc/20/85/83/1123208583.db2.gz IJVGANIRJACTAX-UHFFFAOYSA-N 0 1 291.416 3.787 20 0 CHADMN C[C@H]1C(=O)CCN(CCCC(F)(F)F)C12CCCC2 ZINC001202445350 1123209389 /nfs/dbraw/zinc/20/93/89/1123209389.db2.gz XVVBYBQFNUBAFC-NSHDSACASA-N 0 1 277.330 3.553 20 0 CHADMN CCc1ccc([C@@H](Nc2ncnc3[nH]cnc32)C(C)C)cc1 ZINC000097251500 1123212097 /nfs/dbraw/zinc/21/20/97/1123212097.db2.gz SWQVHILFTGCBNQ-AWEZNQCLSA-N 0 1 295.390 3.725 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc(F)c1F)c1ccc[nH]1 ZINC000776310941 1123213369 /nfs/dbraw/zinc/21/33/69/1123213369.db2.gz VHELZSQLLMKDNZ-NXEZZACHSA-N 0 1 250.292 3.705 20 0 CHADMN Cc1cnc(CN(Cc2ccccc2)CC(C)(C)C)cn1 ZINC000507806443 1123214162 /nfs/dbraw/zinc/21/41/62/1123214162.db2.gz MPRJXUXVGUYCST-UHFFFAOYSA-N 0 1 283.419 3.833 20 0 CHADMN Cc1noc([C@@H](C)N(C)CC2CCC(C)(C)CC2)n1 ZINC000580342364 1123217323 /nfs/dbraw/zinc/21/73/23/1123217323.db2.gz YVDUEFCXELUKSV-LLVKDONJSA-N 0 1 265.401 3.587 20 0 CHADMN CCCC[C@@H](O)CN[C@@H](CC)c1c(F)cccc1F ZINC001252122003 1123222051 /nfs/dbraw/zinc/22/20/51/1123222051.db2.gz JMNLXFHJPQZVRI-RISCZKNCSA-N 0 1 271.351 3.557 20 0 CHADMN COc1ccc(OC)c(-c2ccc(F)c(CN(C)C)c2)c1 ZINC000665199484 1123227446 /nfs/dbraw/zinc/22/74/46/1123227446.db2.gz KFICDZRPCLTSMM-UHFFFAOYSA-N 0 1 289.350 3.572 20 0 CHADMN Cc1cccc2ccnc(N[C@@H]3CCO[C@@H](C)C3)c12 ZINC001161694887 1123229169 /nfs/dbraw/zinc/22/91/69/1123229169.db2.gz ATXJIIBBBPIKSK-GXTWGEPZSA-N 0 1 256.349 3.523 20 0 CHADMN COc1ccc(Cl)cc1[C@@H](C)NCc1cccc(N)c1 ZINC000665233433 1123236225 /nfs/dbraw/zinc/23/62/25/1123236225.db2.gz HWLFXPRXWKSJSN-LLVKDONJSA-N 0 1 290.794 3.782 20 0 CHADMN CCN(c1ccc(NCc2cc3n(n2)CCC3)cc1)C(C)C ZINC000850044070 1123238544 /nfs/dbraw/zinc/23/85/44/1123238544.db2.gz CHZMNZHLEHTPIN-UHFFFAOYSA-N 0 1 298.434 3.676 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2CCCc3c(F)cccc32)c(C)n1 ZINC000334521402 1123241318 /nfs/dbraw/zinc/24/13/18/1123241318.db2.gz CXWFLADSPPAAOJ-KZULUSFZSA-N 0 1 299.393 3.961 20 0 CHADMN Cn1cccc1C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000507873629 1123244177 /nfs/dbraw/zinc/24/41/77/1123244177.db2.gz HLQNQAFLVLYBBX-FMQWLBJXSA-N 0 1 266.388 3.703 20 0 CHADMN Cc1cc(CN(Cc2ccoc2)C2CCCCC2)n(C)n1 ZINC000417795333 1123247206 /nfs/dbraw/zinc/24/72/06/1123247206.db2.gz QMOROTOUMPOYIQ-UHFFFAOYSA-N 0 1 287.407 3.656 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](C)c2ccc3ncsc3c2)cn1 ZINC000427831444 1123253304 /nfs/dbraw/zinc/25/33/04/1123253304.db2.gz QLLVXQNBFULICU-NEPJUHHUSA-N 0 1 298.415 3.807 20 0 CHADMN CCc1ccc(C)nc1NC[C@H]1CCO[C@@H](CC)C1 ZINC000850356787 1123255617 /nfs/dbraw/zinc/25/56/17/1123255617.db2.gz SBHAAVVXELQPAW-ZFWWWQNUSA-N 0 1 262.397 3.570 20 0 CHADMN C1=C[C@H](NCc2ccc(Oc3ccccc3)o2)CC1 ZINC000850358541 1123255661 /nfs/dbraw/zinc/25/56/61/1123255661.db2.gz FXJYMUVVOPHPHH-ZDUSSCGKSA-N 0 1 255.317 3.880 20 0 CHADMN CCCOc1cccc(CN[C@@H]2C[C@H](O)c3ccccc32)c1 ZINC000850370726 1123258107 /nfs/dbraw/zinc/25/81/07/1123258107.db2.gz FZVCVQVFMDBODT-MOPGFXCFSA-N 0 1 297.398 3.743 20 0 CHADMN O[C@H]1C[C@@H](NCc2ccc(F)c(Cl)c2)c2ccccc21 ZINC000850371591 1123258663 /nfs/dbraw/zinc/25/86/63/1123258663.db2.gz LCGNJIFZEQCLGO-CVEARBPZSA-N 0 1 291.753 3.747 20 0 CHADMN O[C@@H]1C[C@@H](NCc2ccc(Cl)s2)c2ccccc21 ZINC000850372205 1123259297 /nfs/dbraw/zinc/25/92/97/1123259297.db2.gz RELZDMMBKYOKOZ-CHWSQXEVSA-N 0 1 279.792 3.670 20 0 CHADMN Cc1ccc(CN[C@@H]2C[C@@H](O)c3ccccc32)c(Cl)c1 ZINC000850372933 1123259702 /nfs/dbraw/zinc/25/97/02/1123259702.db2.gz BHRHUAQUZXQLSO-IAGOWNOFSA-N 0 1 287.790 3.916 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2)[C@H](O)C(C)C)c(C)o1 ZINC000850394716 1123261938 /nfs/dbraw/zinc/26/19/38/1123261938.db2.gz AICDFKGFTUBFDG-ZWKOTPCHSA-N 0 1 287.403 3.744 20 0 CHADMN CN(C)Cc1ccc(N[C@H]2CCCSCC2)cc1F ZINC000850459024 1123270005 /nfs/dbraw/zinc/27/00/05/1123270005.db2.gz YBJUQQVNYCUSJA-ZDUSSCGKSA-N 0 1 282.428 3.585 20 0 CHADMN C[C@H](CC1CCCCC1)NC(=O)c1cccc2nc[nH]c21 ZINC000428062288 1123270059 /nfs/dbraw/zinc/27/00/59/1123270059.db2.gz VGVAPRCYHAORHX-GFCCVEGCSA-N 0 1 285.391 3.652 20 0 CHADMN Cc1ccoc1CN[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850471911 1123271728 /nfs/dbraw/zinc/27/17/28/1123271728.db2.gz UPUMJGQDPRVGON-ZDUSSCGKSA-N 0 1 271.360 3.764 20 0 CHADMN CCCN(Cc1cc(OC)ccc1F)C[C@H]1CCCCO1 ZINC000508250840 1123272455 /nfs/dbraw/zinc/27/24/55/1123272455.db2.gz UUROGVQAMMVRPT-MRXNPFEDSA-N 0 1 295.398 3.615 20 0 CHADMN C[C@H](CSC(C)(C)C)N[C@H](C)c1cscn1 ZINC000850511509 1123277673 /nfs/dbraw/zinc/27/76/73/1123277673.db2.gz GWHLJESBTOFMJB-NXEZZACHSA-N 0 1 258.456 3.714 20 0 CHADMN Oc1cccc2c1CCC[C@@H]2N[C@H]1C[C@H](O)c2ccccc21 ZINC000850525336 1123280641 /nfs/dbraw/zinc/28/06/41/1123280641.db2.gz IMLWOUDSNOCIBE-LNLFQRSKSA-N 0 1 295.382 3.538 20 0 CHADMN C[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1cccc(F)c1 ZINC000850528045 1123282837 /nfs/dbraw/zinc/28/28/37/1123282837.db2.gz DMZYOJSIISZFPE-GOPGUHFVSA-N 0 1 271.335 3.655 20 0 CHADMN Cc1ccc(C)c([C@H](C)N(C)Cc2cc(C)ncn2)c1 ZINC000428237662 1123286714 /nfs/dbraw/zinc/28/67/14/1123286714.db2.gz LKYZLMLJAQHBMW-HNNXBMFYSA-N 0 1 269.392 3.595 20 0 CHADMN CC[C@H](NCc1ccc(O)c(F)c1)c1ccccc1F ZINC000895146763 1123291064 /nfs/dbraw/zinc/29/10/64/1123291064.db2.gz JYIYXSNHQZHQAW-HNNXBMFYSA-N 0 1 277.314 3.911 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1ccc2cc[nH]c2c1 ZINC000229661034 1123292587 /nfs/dbraw/zinc/29/25/87/1123292587.db2.gz VOYPNXBHURUVHH-JTQLQIEISA-N 0 1 269.348 3.624 20 0 CHADMN CC(C)c1nc([C@@H](C)NCC2SCCS2)cs1 ZINC000850562718 1123292699 /nfs/dbraw/zinc/29/26/99/1123292699.db2.gz WXQYDKRJSWCQSL-SECBINFHSA-N 0 1 288.507 3.723 20 0 CHADMN CC[C@H](N[C@@H](c1nccn1C)C1CC1)c1ccccc1 ZINC000353872358 1123304599 /nfs/dbraw/zinc/30/45/99/1123304599.db2.gz UXZDNMBTVPPWIL-JKSUJKDBSA-N 0 1 269.392 3.612 20 0 CHADMN CO[C@H]1C[C@H](NCc2c(F)cccc2Cl)C12CCC2 ZINC000713470938 1123315022 /nfs/dbraw/zinc/31/50/22/1123315022.db2.gz MBBOAQJZCPPPOJ-KBPBESRZSA-N 0 1 283.774 3.526 20 0 CHADMN Cc1ncsc1CN1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000335165216 1123315427 /nfs/dbraw/zinc/31/54/27/1123315427.db2.gz QJFBPGOOVQPZFV-UWVGGRQHSA-N 0 1 278.343 3.614 20 0 CHADMN CCO[C@@H](C)c1nc(CN2CC[C@H](C3CCC3)C2)cs1 ZINC000665286710 1123324046 /nfs/dbraw/zinc/32/40/46/1123324046.db2.gz SDNUOFHDTVMLTD-JSGCOSHPSA-N 0 1 294.464 3.863 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@@H](C2CCC2)C1 ZINC000665288066 1123325960 /nfs/dbraw/zinc/32/59/60/1123325960.db2.gz BVAFFDHPIIMVOV-TZMCWYRMSA-N 0 1 297.402 3.518 20 0 CHADMN Cc1cccc(CN(C)Cc2cnc(C(C)C)nc2)c1C ZINC000443067024 1123354160 /nfs/dbraw/zinc/35/41/60/1123354160.db2.gz KSUVUNSGFNQYMT-UHFFFAOYSA-N 0 1 283.419 3.849 20 0 CHADMN CO[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)[C@H](C)C1 ZINC000443076368 1123355967 /nfs/dbraw/zinc/35/59/67/1123355967.db2.gz WYFUVANSMHPJMY-ZJUUUORDSA-N 0 1 293.354 3.766 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cncc(F)c1)CCS2 ZINC000335344912 1123361906 /nfs/dbraw/zinc/36/19/06/1123361906.db2.gz LKGAVYLLYAIOIS-CQSZACIVSA-N 0 1 292.354 3.687 20 0 CHADMN CC(C)CN(C)Cc1ccsc1Br ZINC000388981026 1123419898 /nfs/dbraw/zinc/41/98/98/1123419898.db2.gz NWMDBGILPNTYDS-UHFFFAOYSA-N 0 1 262.216 3.598 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1CN(C)Cc1nccs1 ZINC000191076235 1123363964 /nfs/dbraw/zinc/36/39/64/1123363964.db2.gz NIMFFBJPGBDPCE-QWHCGFSZSA-N 0 1 250.411 3.567 20 0 CHADMN Cc1cccnc1[C@H](NCC=C(Cl)Cl)C(C)C ZINC000851844107 1123384822 /nfs/dbraw/zinc/38/48/22/1123384822.db2.gz RWFWVYPPQOWRDQ-GFCCVEGCSA-N 0 1 273.207 3.996 20 0 CHADMN Cc1cc(C)cc(Cc2noc(CN3[C@H](C)CC[C@@H]3C)n2)c1 ZINC000443229870 1123366421 /nfs/dbraw/zinc/36/64/21/1123366421.db2.gz ZZAZWPFTGAZRJV-GASCZTMLSA-N 0 1 299.418 3.650 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1cccc2[nH]ccc21 ZINC000110065942 1123369443 /nfs/dbraw/zinc/36/94/43/1123369443.db2.gz DTMJRSGGGQNPFT-UHFFFAOYSA-N 0 1 287.407 3.619 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCC[C@H]1c1cc(C)on1 ZINC000851716774 1123373739 /nfs/dbraw/zinc/37/37/39/1123373739.db2.gz QVUSAFXFSBDAOU-AAEUAGOBSA-N 0 1 272.339 3.801 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2cccc(F)n2)c1 ZINC000851734631 1123374956 /nfs/dbraw/zinc/37/49/56/1123374956.db2.gz VPJWMOPCANVHTF-MRXNPFEDSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccccc1[C@H](C)N(C)Cc1cccc(F)n1 ZINC000851734143 1123375775 /nfs/dbraw/zinc/37/57/75/1123375775.db2.gz OJPDHIRMQOQANP-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN FC(F)OCCN1CCC[C@H]1c1ccccc1Cl ZINC000851731440 1123376255 /nfs/dbraw/zinc/37/62/55/1123376255.db2.gz QDYLJYSVNPUZNV-LBPRGKRZSA-N 0 1 275.726 3.716 20 0 CHADMN Cc1ccccc1CN(Cc1cccc(F)n1)C1CC1 ZINC000851738777 1123376524 /nfs/dbraw/zinc/37/65/24/1123376524.db2.gz RLBUWFBJYRLJJM-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN Cc1nc([C@@H](C)N[C@H]2CCCc3cc(N)ccc32)cs1 ZINC000335480947 1123376930 /nfs/dbraw/zinc/37/69/30/1123376930.db2.gz OIHMTAMZHULLIE-BMIGLBTASA-N 0 1 287.432 3.762 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H]2CCCc3cc(N)ccc32)cs1 ZINC000335480949 1123377489 /nfs/dbraw/zinc/37/74/89/1123377489.db2.gz OIHMTAMZHULLIE-MEBBXXQBSA-N 0 1 287.432 3.762 20 0 CHADMN CCc1nnc([C@H](C)N2CCC[C@@H](c3ccccc3)CC2)[nH]1 ZINC000851749488 1123379438 /nfs/dbraw/zinc/37/94/38/1123379438.db2.gz ZQLNFEDPMFLAIC-GOEBONIOSA-N 0 1 298.434 3.698 20 0 CHADMN Fc1cccc(C[N@H+]2CCCC[C@H]2c2ccccc2)n1 ZINC000851937887 1123390289 /nfs/dbraw/zinc/39/02/89/1123390289.db2.gz DKQQNUKJJPBXJJ-INIZCTEOSA-N 0 1 270.351 3.948 20 0 CHADMN Fc1cccc(CN2CCCC[C@H]2c2ccccc2)n1 ZINC000851937887 1123390294 /nfs/dbraw/zinc/39/02/94/1123390294.db2.gz DKQQNUKJJPBXJJ-INIZCTEOSA-N 0 1 270.351 3.948 20 0 CHADMN C[C@@H](c1nc(CCc2ccccc2)no1)N1CCCCCC1 ZINC000191172920 1123391571 /nfs/dbraw/zinc/39/15/71/1123391571.db2.gz SEDAKHPBTPQQPP-HNNXBMFYSA-N 0 1 299.418 3.792 20 0 CHADMN FC(F)OCC[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000852155914 1123398624 /nfs/dbraw/zinc/39/86/24/1123398624.db2.gz NOAVABVQQDKAHT-AWEZNQCLSA-N 0 1 281.346 3.843 20 0 CHADMN FC(F)OCCN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000852155914 1123398629 /nfs/dbraw/zinc/39/86/29/1123398629.db2.gz NOAVABVQQDKAHT-AWEZNQCLSA-N 0 1 281.346 3.843 20 0 CHADMN O[C@H](CCN1CC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000852466435 1123405319 /nfs/dbraw/zinc/40/53/19/1123405319.db2.gz CUXAMBCWAZFRMY-ZWKOTPCHSA-N 0 1 285.362 3.696 20 0 CHADMN CCc1[nH]n(-c2cc(C(F)(F)F)ccc2F)c(=O)c1C ZINC000634616003 1129121944 /nfs/dbraw/zinc/12/19/44/1129121944.db2.gz XXKKYSLMMXTTSA-SSDOTTSWSA-N 0 1 288.244 3.593 20 0 CHADMN CC[C@@H](NCc1cnc(F)cc1C)c1ccccc1F ZINC000895200987 1123406666 /nfs/dbraw/zinc/40/66/66/1123406666.db2.gz WGGWJPHJANKGTQ-OAHLLOKOSA-N 0 1 276.330 3.909 20 0 CHADMN COc1ccc([C@H]2CCCN2CCC(=O)C(C)C)cc1F ZINC000852518807 1123407824 /nfs/dbraw/zinc/40/78/24/1123407824.db2.gz OSVXWPWZIMDFEM-OAHLLOKOSA-N 0 1 293.382 3.586 20 0 CHADMN Clc1cccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)n1 ZINC000852598234 1123410626 /nfs/dbraw/zinc/41/06/26/1123410626.db2.gz VJJWTTYLJGWJTM-HIFRSBDPSA-N 0 1 294.826 3.516 20 0 CHADMN CC1(c2cc(=O)n(-c3ccc(C(F)(F)F)cc3)[nH]2)CC1 ZINC000634596020 1129120158 /nfs/dbraw/zinc/12/01/58/1129120158.db2.gz UFNOPZLFWLIAQP-UHFFFAOYSA-N 0 1 282.265 3.598 20 0 CHADMN Cc1ccnc(CN[C@H](C)c2ccc3c(c2)CCCO3)c1 ZINC000852783245 1123416159 /nfs/dbraw/zinc/41/61/59/1123416159.db2.gz ZEPHYWLYCRCFJX-CQSZACIVSA-N 0 1 282.387 3.566 20 0 CHADMN CCC1=NN([C@@H](C)c2ccc(Cl)cc2)C(=O)[C@H]1C ZINC000634601561 1129120248 /nfs/dbraw/zinc/12/02/48/1129120248.db2.gz QBHNTFWRGMJLQZ-UWVGGRQHSA-N 0 1 264.756 3.645 20 0 CHADMN CCc1[nH]n([C@@H](C)c2ccc(Cl)cc2)c(=O)c1C ZINC000634601561 1129120250 /nfs/dbraw/zinc/12/02/50/1129120250.db2.gz QBHNTFWRGMJLQZ-UWVGGRQHSA-N 0 1 264.756 3.645 20 0 CHADMN CCCCCC[C@@H](CC)CN(C)C(=O)c1ccc(CN)o1 ZINC000852870881 1123416951 /nfs/dbraw/zinc/41/69/51/1123416951.db2.gz RYOJPMKFEZSHJX-CQSZACIVSA-N 0 1 294.439 3.807 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000335723785 1123417772 /nfs/dbraw/zinc/41/77/72/1123417772.db2.gz MAINOOANXGJBMY-NEPJUHHUSA-N 0 1 291.345 3.629 20 0 CHADMN CC(C)C[N@@H+](C)Cc1ccsc1Br ZINC000388981026 1123419896 /nfs/dbraw/zinc/41/98/96/1123419896.db2.gz NWMDBGILPNTYDS-UHFFFAOYSA-N 0 1 262.216 3.598 20 0 CHADMN CCCc1cc(=O)n([C@@H](C)c2ccc(Cl)cc2)[nH]1 ZINC000634601917 1129120596 /nfs/dbraw/zinc/12/05/96/1129120596.db2.gz YXGDEKLSEGEIJF-JTQLQIEISA-N 0 1 264.756 3.789 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3c[nH]nc32)ccc1Cl ZINC000335749074 1123422354 /nfs/dbraw/zinc/42/23/54/1123422354.db2.gz LHDGZPVVGXLXRZ-CQSZACIVSA-N 0 1 275.783 3.539 20 0 CHADMN CC(C)c1cccc(CNCc2cccc(F)n2)c1 ZINC000853086398 1123424033 /nfs/dbraw/zinc/42/40/33/1123424033.db2.gz KFYRBTMEIFTUCE-UHFFFAOYSA-N 0 1 258.340 3.634 20 0 CHADMN Cc1cccc(Cl)c1-n1[nH]c(C2CCC2)cc1=O ZINC000634609004 1129120946 /nfs/dbraw/zinc/12/09/46/1129120946.db2.gz TULXPHIBCGJGDS-UHFFFAOYSA-N 0 1 262.740 3.541 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1csc(Cl)c1 ZINC000335779834 1123427713 /nfs/dbraw/zinc/42/77/13/1123427713.db2.gz VCJPKPUTJFDQGG-UHFFFAOYSA-N 0 1 291.710 3.623 20 0 CHADMN C[C@@H](OC(=O)CC1CCC(C(C)(C)C)CC1)c1nnc[nH]1 ZINC000853219111 1123428080 /nfs/dbraw/zinc/42/80/80/1123428080.db2.gz CVFKMBBQIVVXEO-PNESKVBLSA-N 0 1 293.411 3.652 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@H](C)c1ccc2c(c1)CCCO2 ZINC000853239418 1123429317 /nfs/dbraw/zinc/42/93/17/1123429317.db2.gz ASCLJBUHRKEOKW-TZMCWYRMSA-N 0 1 297.402 3.522 20 0 CHADMN CC[C@H](N[C@H](C)c1ccnn1CC1CCC1)c1ccncc1 ZINC000925125219 1123433738 /nfs/dbraw/zinc/43/37/38/1123433738.db2.gz BUKYBTXERSBSMR-PBHICJAKSA-N 0 1 298.434 3.880 20 0 CHADMN CCN(CC)Cc1cc(Br)cc(F)c1F ZINC001141796111 1123473291 /nfs/dbraw/zinc/47/32/91/1123473291.db2.gz ZSNWCCAKPFFWRW-UHFFFAOYSA-N 0 1 278.140 3.569 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2nc(C)sc2C)C1 ZINC000443612535 1123444797 /nfs/dbraw/zinc/44/47/97/1123444797.db2.gz AQDIURNGRNFLEF-CYBMUJFWSA-N 0 1 284.494 3.868 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCO[C@H](C)[C@H]1C ZINC000443641440 1123457014 /nfs/dbraw/zinc/45/70/14/1123457014.db2.gz POLJYGMOTQUKRA-VXGBXAGGSA-N 0 1 287.325 3.623 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN(C)Cc1ccc[nH]1 ZINC000443641209 1123457674 /nfs/dbraw/zinc/45/76/74/1123457674.db2.gz PDXNUIDTMMEBRH-UHFFFAOYSA-N 0 1 282.309 3.974 20 0 CHADMN CC[C@@H](C)CCNCc1csc(C(F)(F)F)n1 ZINC000895333224 1123458272 /nfs/dbraw/zinc/45/82/72/1123458272.db2.gz ANRKSAULSPMIMZ-MRVPVSSYSA-N 0 1 266.332 3.688 20 0 CHADMN O=C(Nc1cccc(CNCc2ccoc2)c1)C1CCCC1 ZINC000727466576 1123463621 /nfs/dbraw/zinc/46/36/21/1123463621.db2.gz BFKIQVNMEITJKV-UHFFFAOYSA-N 0 1 298.386 3.698 20 0 CHADMN C[C@@H]1C[C@H](C)CCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000443660300 1123466485 /nfs/dbraw/zinc/46/64/85/1123466485.db2.gz QZHUFIBNNDXRRY-ZIAGYGMSSA-N 0 1 285.391 3.605 20 0 CHADMN Cc1ccccc1OCCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000854043320 1123467401 /nfs/dbraw/zinc/46/74/01/1123467401.db2.gz HVZHQTOMRWBGNA-GOSISDBHSA-N 0 1 296.414 3.852 20 0 CHADMN Cc1ccc(OCCN2CC(C)(C)[C@@H]2c2cccnc2)cc1 ZINC000854041020 1123467661 /nfs/dbraw/zinc/46/76/61/1123467661.db2.gz XTIFFJYZBZXWPT-SFHVURJKSA-N 0 1 296.414 3.852 20 0 CHADMN COCCN[C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000037186363 1123471563 /nfs/dbraw/zinc/47/15/63/1123471563.db2.gz MCPZURHFWPCJGB-ZETCQYMHSA-N 0 1 282.598 3.944 20 0 CHADMN CS[C@H](C)C(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000111989337 1123472853 /nfs/dbraw/zinc/47/28/53/1123472853.db2.gz REHBXGPEQCKXBY-JGVFFNPUSA-N 0 1 298.795 3.572 20 0 CHADMN CCC[N@@H+](Cc1ccnn1-c1ccccc1C)C1CC1 ZINC000474162250 1123476796 /nfs/dbraw/zinc/47/67/96/1123476796.db2.gz ZKXACCWWOQUUQB-UHFFFAOYSA-N 0 1 269.392 3.555 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cccc3c2NCCC3)s1 ZINC000895441044 1123480543 /nfs/dbraw/zinc/48/05/43/1123480543.db2.gz XNHOKISFXXOWMP-LLVKDONJSA-N 0 1 287.432 3.660 20 0 CHADMN CC(C)Cc1ccc(CN2CCC(c3ccon3)CC2)cn1 ZINC000895448326 1123481409 /nfs/dbraw/zinc/48/14/09/1123481409.db2.gz BOORRBRINJYIDL-UHFFFAOYSA-N 0 1 299.418 3.648 20 0 CHADMN COc1ccc(CN[C@H]2CCCc3c(C)cccc32)nc1 ZINC000895462804 1123483081 /nfs/dbraw/zinc/48/30/81/1123483081.db2.gz AGPHINWZJNJTAY-SFHVURJKSA-N 0 1 282.387 3.566 20 0 CHADMN Cc1cc(F)ncc1CN[C@]1(c2ccccc2)CC1(C)C ZINC000895481317 1123486021 /nfs/dbraw/zinc/48/60/21/1123486021.db2.gz NACFSWCEXLOYQM-SFHVURJKSA-N 0 1 284.378 3.944 20 0 CHADMN CCSc1ccc(CNCc2ccnc(F)c2C)cc1 ZINC000895526876 1123488661 /nfs/dbraw/zinc/48/86/61/1123488661.db2.gz STIGBMSOEGDNNX-UHFFFAOYSA-N 0 1 290.407 3.931 20 0 CHADMN CCC1(C(=O)NOc2ccccc2)CCC(F)(F)CC1 ZINC000854535704 1123488759 /nfs/dbraw/zinc/48/87/59/1123488759.db2.gz HPWWJKPNASELFE-UHFFFAOYSA-N 0 1 283.318 3.702 20 0 CHADMN Fc1cc(-c2ccncc2)ccc1CN1CCC(F)CC1 ZINC000895547179 1123489157 /nfs/dbraw/zinc/48/91/57/1123489157.db2.gz OQNFHBSTVKARKY-UHFFFAOYSA-N 0 1 288.341 3.822 20 0 CHADMN CCCC[C@](C)(F)C(=O)Nc1cc(C(=O)CC)ccc1O ZINC000854575032 1123489894 /nfs/dbraw/zinc/48/98/94/1123489894.db2.gz CQSHFTFEVQVDPN-INIZCTEOSA-N 0 1 295.354 3.842 20 0 CHADMN FC[C@@H]1CCN(Cc2ccsc2C(F)(F)F)C1 ZINC000895568597 1123493177 /nfs/dbraw/zinc/49/31/77/1123493177.db2.gz NYWTZLUJAOSCSE-QMMMGPOBSA-N 0 1 267.291 3.558 20 0 CHADMN CCCC(=CC(=O)NCc1ccc2nc[nH]c2c1)CCC ZINC000854809880 1123494781 /nfs/dbraw/zinc/49/47/81/1123494781.db2.gz HTDGYPXZGNLIRI-UHFFFAOYSA-N 0 1 285.391 3.706 20 0 CHADMN C/C=C(/C)C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000854819469 1123496176 /nfs/dbraw/zinc/49/61/76/1123496176.db2.gz XJTLVKNFQUTSHQ-HYHWUIIZSA-N 0 1 291.782 3.702 20 0 CHADMN Cc1ncccc1CNCc1ccc(C(F)F)c(F)c1 ZINC000895618659 1123497207 /nfs/dbraw/zinc/49/72/07/1123497207.db2.gz MOORZMFAYDJVCT-UHFFFAOYSA-N 0 1 280.293 3.757 20 0 CHADMN Cc1cnc([C@H](C)N(C)CCc2ccc(Cl)cc2)o1 ZINC000543702956 1123499529 /nfs/dbraw/zinc/49/95/29/1123499529.db2.gz XJOXVAZMHYZXFU-LBPRGKRZSA-N 0 1 278.783 3.872 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H]2CCC[C@@H](C(C)(C)C)CC2)c1C ZINC000474282917 1123499701 /nfs/dbraw/zinc/49/97/01/1123499701.db2.gz LHEFURCQEUJUFP-KGLIPLIRSA-N 0 1 291.439 3.751 20 0 CHADMN COc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)o1 ZINC000895666031 1123504119 /nfs/dbraw/zinc/50/41/19/1123504119.db2.gz MYKXIIMLVISBEU-CQSZACIVSA-N 0 1 277.751 3.719 20 0 CHADMN CC(C)(C)c1coc(CN2CCCC3(CC3)CC2)n1 ZINC000895666594 1123504337 /nfs/dbraw/zinc/50/43/37/1123504337.db2.gz UPQRBMQRPAXMIH-UHFFFAOYSA-N 0 1 262.397 3.738 20 0 CHADMN CC(C)C[C@@H]1CCC[C@@H](NCc2nc(C(F)F)no2)C1 ZINC000895724533 1123508992 /nfs/dbraw/zinc/50/89/92/1123508992.db2.gz HJAXQFWKUJVMKO-WDEREUQCSA-N 0 1 287.354 3.702 20 0 CHADMN CC(C)C1CCC(CNCc2nc(C(F)F)no2)CC1 ZINC000895725426 1123509240 /nfs/dbraw/zinc/50/92/40/1123509240.db2.gz LMCGFGOZPVBFJD-UHFFFAOYSA-N 0 1 287.354 3.559 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000634697932 1129126232 /nfs/dbraw/zinc/12/62/32/1129126232.db2.gz WJKDNYYDSBZBCK-HNNXBMFYSA-N 0 1 267.413 3.534 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)C[C@@H](N[C@H](C)c1ncco1)CC3 ZINC000895763301 1123511655 /nfs/dbraw/zinc/51/16/55/1123511655.db2.gz CFTWAPMDSDNJJR-OLZOCXBDSA-N 0 1 295.386 3.672 20 0 CHADMN FC(F)(F)c1nc(CNCC[C@@H]2CCCS2)cs1 ZINC000895769327 1123512857 /nfs/dbraw/zinc/51/28/57/1123512857.db2.gz BFIQQLOJCTZNDC-VIFPVBQESA-N 0 1 296.383 3.537 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2cc(F)ccc2F)n1 ZINC000053715590 1123527049 /nfs/dbraw/zinc/52/70/49/1123527049.db2.gz LDBKFGFSGRNSMC-UHFFFAOYSA-N 0 1 283.347 3.673 20 0 CHADMN CC(C)(C)c1nc(SCc2cc(F)ccc2F)n[nH]1 ZINC000053715590 1123527050 /nfs/dbraw/zinc/52/70/50/1123527050.db2.gz LDBKFGFSGRNSMC-UHFFFAOYSA-N 0 1 283.347 3.673 20 0 CHADMN O=C(CCc1cccs1)Nc1cc(F)cc(Cl)c1O ZINC000474427323 1123527261 /nfs/dbraw/zinc/52/72/61/1123527261.db2.gz PKSAUXDROXTWDN-UHFFFAOYSA-N 0 1 299.754 3.818 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@@H]1CC12CCCC2 ZINC000474432628 1123528681 /nfs/dbraw/zinc/52/86/81/1123528681.db2.gz MLPUMDAJEBAEEE-VIFPVBQESA-N 0 1 283.730 3.704 20 0 CHADMN CN(CCCF)Cc1cscc1C(F)(F)F ZINC000895896176 1123529080 /nfs/dbraw/zinc/52/90/80/1123529080.db2.gz PUYMNFMXBVGVRJ-UHFFFAOYSA-N 0 1 255.280 3.558 20 0 CHADMN CCCCCC[C@@](C)(CCC)C(=O)N(C)CC1CN(C)C1 ZINC000855638971 1123529517 /nfs/dbraw/zinc/52/95/17/1123529517.db2.gz ZVRSZTUSVQDTLG-GOSISDBHSA-N 0 1 296.499 3.783 20 0 CHADMN CCc1ccc(C(=O)Nc2cc(F)cc(Cl)c2O)cc1 ZINC000474439624 1123530206 /nfs/dbraw/zinc/53/02/06/1123530206.db2.gz VGIRIDCUMFNTBA-UHFFFAOYSA-N 0 1 293.725 3.999 20 0 CHADMN CCC(CC)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474441248 1123531046 /nfs/dbraw/zinc/53/10/46/1123531046.db2.gz ZFGXFOHBEDIIDF-UHFFFAOYSA-N 0 1 259.708 3.559 20 0 CHADMN O=C(Cc1ccc(F)cc1)Nc1cc(F)cc(Cl)c1O ZINC000474442983 1123531161 /nfs/dbraw/zinc/53/11/61/1123531161.db2.gz BBTFKDJVBJISOR-UHFFFAOYSA-N 0 1 297.688 3.505 20 0 CHADMN CC(C)(C)CCC(=O)Nc1cc(F)cc(Cl)c1O ZINC000474451605 1123531893 /nfs/dbraw/zinc/53/18/93/1123531893.db2.gz ZGEWNVUTQWYLKD-UHFFFAOYSA-N 0 1 273.735 3.950 20 0 CHADMN CCOCC[N@@H+](CC)Cc1ccc(C(C)C)nc1CC ZINC000338979703 1123532968 /nfs/dbraw/zinc/53/29/68/1123532968.db2.gz BDSGLBSVZVGNKC-UHFFFAOYSA-N 0 1 278.440 3.626 20 0 CHADMN CSC1(CNCc2nnc(C(C)C)s2)CCCCC1 ZINC000896054412 1123546506 /nfs/dbraw/zinc/54/65/06/1123546506.db2.gz TWZVHSBQVLYILQ-UHFFFAOYSA-N 0 1 299.509 3.817 20 0 CHADMN Cc1cc(CNCc2ccc(OC(C)C)cc2)c(C)o1 ZINC000114504681 1123564765 /nfs/dbraw/zinc/56/47/65/1123564765.db2.gz IIQPXRVSRFNICX-UHFFFAOYSA-N 0 1 273.376 3.973 20 0 CHADMN CC(C)c1ccc2nc(-c3cn(C)nc3Cl)[nH]c2c1 ZINC000856720082 1123565809 /nfs/dbraw/zinc/56/58/09/1123565809.db2.gz ZUFVNTLGNODENA-UHFFFAOYSA-N 0 1 274.755 3.740 20 0 CHADMN Cc1cc(CNCc2ccoc2)cc(C)c1OC(F)F ZINC000194090243 1129130141 /nfs/dbraw/zinc/13/01/41/1129130141.db2.gz VWGFUVYPTZYZRF-UHFFFAOYSA-N 0 1 281.302 3.788 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cn(C)nc2Cl)cc1 ZINC000856771611 1123568000 /nfs/dbraw/zinc/56/80/00/1123568000.db2.gz JLTSYOQWPIZEDH-UHFFFAOYSA-N 0 1 291.826 3.661 20 0 CHADMN FC(F)(F)c1nc(CNC[C@]23C[C@H]2CCCC3)cs1 ZINC000896268517 1123568312 /nfs/dbraw/zinc/56/83/12/1123568312.db2.gz PJMBPXIZXQDCGM-SKDRFNHKSA-N 0 1 290.354 3.832 20 0 CHADMN CCN(Cc1cn(C)nc1Cl)[C@H](C)Cc1ccsc1 ZINC000857041277 1123580681 /nfs/dbraw/zinc/58/06/81/1123580681.db2.gz OMXQMBMVUOKATR-LLVKDONJSA-N 0 1 297.855 3.588 20 0 CHADMN CC[C@]1(C)COCCN1C[C@H](OC(C)C)c1ccccc1 ZINC000428301631 1123585584 /nfs/dbraw/zinc/58/55/84/1123585584.db2.gz KSAWZHQPCVBZEO-ZWKOTPCHSA-N 0 1 291.435 3.654 20 0 CHADMN Cc1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)c(C)c1 ZINC000017022657 1123587502 /nfs/dbraw/zinc/58/75/02/1123587502.db2.gz KQTSFYWFONUYGD-UHFFFAOYSA-N 0 1 291.354 3.946 20 0 CHADMN CC(C)C[N@@H+](CCCCc1cccc(Cl)c1)CC(=O)[O-] ZINC000857225226 1123592663 /nfs/dbraw/zinc/59/26/63/1123592663.db2.gz IWVYATWIPFRTOS-UHFFFAOYSA-N 0 1 297.826 3.705 20 0 CHADMN FCCC1CCN(Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000639376608 1123600748 /nfs/dbraw/zinc/60/07/48/1123600748.db2.gz RCWXFNNDKHQJKY-AWEZNQCLSA-N 0 1 298.427 3.566 20 0 CHADMN CC[N@@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000179321260 1123602203 /nfs/dbraw/zinc/60/22/03/1123602203.db2.gz MSUYQZJHCYIDEO-LBPRGKRZSA-N 0 1 294.826 3.707 20 0 CHADMN CC1(c2ccccc2)CC(N[C@H](c2ncccn2)C2CC2)C1 ZINC000896598528 1123604216 /nfs/dbraw/zinc/60/42/16/1123604216.db2.gz JSKDGVDFJLLIOQ-HFCFLWKCSA-N 0 1 293.414 3.638 20 0 CHADMN Cc1cc(CN(Cc2ccccn2)CC(C)C)cnc1F ZINC000896660956 1123609547 /nfs/dbraw/zinc/60/95/47/1123609547.db2.gz HARNPNPGWODQSQ-UHFFFAOYSA-N 0 1 287.382 3.582 20 0 CHADMN Cc1scc(CNCc2nc3ccccc3nc2C)c1C ZINC000639380689 1123610368 /nfs/dbraw/zinc/61/03/68/1123610368.db2.gz GZCVZSBJTUWZGX-UHFFFAOYSA-N 0 1 297.427 3.906 20 0 CHADMN Cc1ccn2c(CN(C)[C@@H](C)c3cccs3)cnc2c1 ZINC000157822783 1129133139 /nfs/dbraw/zinc/13/31/39/1129133139.db2.gz HZLKLNCTBAZYBH-ZDUSSCGKSA-N 0 1 285.416 3.897 20 0 CHADMN CCc1cccc(F)c1CN(C)CCc1ccccc1O ZINC000474931643 1123614396 /nfs/dbraw/zinc/61/43/96/1123614396.db2.gz NMVXMWKAGCNSEU-UHFFFAOYSA-N 0 1 287.378 3.768 20 0 CHADMN CCN(Cc1cc(F)c(Br)cc1F)C1CC1 ZINC001141910881 1123619508 /nfs/dbraw/zinc/61/95/08/1123619508.db2.gz ZKIKCYWTRRNLBK-UHFFFAOYSA-N 0 1 290.151 3.712 20 0 CHADMN Cc1cccnc1[C@H](NCc1ccsc1)C(C)C ZINC000115622243 1123620190 /nfs/dbraw/zinc/62/01/90/1123620190.db2.gz IEBWVZINIYQZFV-CQSZACIVSA-N 0 1 260.406 3.938 20 0 CHADMN COc1ccc([C@@H](N[C@@H]2CCCc3c[nH]nc32)C2CC2)cc1 ZINC000857847236 1123621098 /nfs/dbraw/zinc/62/10/98/1123621098.db2.gz XMAKZCOEQFUDKH-SJORKVTESA-N 0 1 297.402 3.537 20 0 CHADMN CSc1ccc(N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000857859180 1123621779 /nfs/dbraw/zinc/62/17/79/1123621779.db2.gz DMFNVYAVQCGHIA-CYBMUJFWSA-N 0 1 259.378 3.621 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@H]1N[C@H]1CCCc2c[nH]nc21 ZINC000857856442 1123622004 /nfs/dbraw/zinc/62/20/04/1123622004.db2.gz LDKWHSWHIGBHIV-NVGVWMPQSA-N 0 1 299.393 3.839 20 0 CHADMN Cc1cc([C@H](N[C@H]2CCCc3c[nH]nc32)C2CC2)ccc1F ZINC000857859600 1123622091 /nfs/dbraw/zinc/62/20/91/1123622091.db2.gz HBWQGLOBHGESER-DLBZAZTESA-N 0 1 299.393 3.976 20 0 CHADMN c1cc2cc(CN[C@@H]3CCCc4c[nH]nc43)ccc2s1 ZINC000857866215 1123623419 /nfs/dbraw/zinc/62/34/19/1123623419.db2.gz AWNYYASWMRNTKF-CQSZACIVSA-N 0 1 283.400 3.792 20 0 CHADMN c1nc2cc(N[C@H]3CCCc4cn[nH]c43)ccc2s1 ZINC000857864517 1123623640 /nfs/dbraw/zinc/62/36/40/1123623640.db2.gz HRGNYDPMLVTPRH-NSHDSACASA-N 0 1 270.361 3.509 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(F)cc2C)o1 ZINC000896797968 1123627659 /nfs/dbraw/zinc/62/76/59/1123627659.db2.gz LACHBMWYGZJQIT-LLVKDONJSA-N 0 1 263.312 3.587 20 0 CHADMN Fc1ccc(C2(NCc3ccnc(F)c3)CCC2)cc1 ZINC000858121939 1123633233 /nfs/dbraw/zinc/63/32/33/1123633233.db2.gz CVMLRMALJPEGBU-UHFFFAOYSA-N 0 1 274.314 3.529 20 0 CHADMN CCOc1ccccc1[C@@H](CC)NCc1ccnc(F)c1 ZINC000858120888 1123633666 /nfs/dbraw/zinc/63/36/66/1123633666.db2.gz PBILHGJCWXDZBL-OAHLLOKOSA-N 0 1 288.366 3.860 20 0 CHADMN Cc1nc2c(s1)[C@H](NCc1ccncc1Cl)CCC2 ZINC000858157787 1123635237 /nfs/dbraw/zinc/63/52/37/1123635237.db2.gz POKRDFMNLJEELX-GFCCVEGCSA-N 0 1 293.823 3.667 20 0 CHADMN Cc1csc(CN[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)n1 ZINC000858214439 1123638344 /nfs/dbraw/zinc/63/83/44/1123638344.db2.gz OIIWXKRGTCCLGH-VHDGCEQUSA-N 0 1 290.819 3.533 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)s2)CC[C@H]1C(=O)[O-] ZINC000312503306 1123638535 /nfs/dbraw/zinc/63/85/35/1123638535.db2.gz KUAJIFJCMNBUAL-DGCLKSJQSA-N 0 1 295.448 3.588 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccns2)cc1F ZINC000858316613 1123643921 /nfs/dbraw/zinc/64/39/21/1123643921.db2.gz FHCFZPVOUFWMCW-JTQLQIEISA-N 0 1 280.368 3.532 20 0 CHADMN CC(C)c1cnc(CN2CC3(C[C@@H]2C)CCOCC3)s1 ZINC000648070501 1123644195 /nfs/dbraw/zinc/64/41/95/1123644195.db2.gz ADQLHJSXCSMYPF-ZDUSSCGKSA-N 0 1 294.464 3.658 20 0 CHADMN C[C@H](NCc1ccc2c(c1)CCCC2)c1ccns1 ZINC000858318276 1123644471 /nfs/dbraw/zinc/64/44/71/1123644471.db2.gz NAQZQRYCGIZFOG-LBPRGKRZSA-N 0 1 272.417 3.873 20 0 CHADMN Fc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cn1 ZINC000858321078 1123645238 /nfs/dbraw/zinc/64/52/38/1123645238.db2.gz RFOQBBGAKVJXMM-AWEZNQCLSA-N 0 1 276.742 3.651 20 0 CHADMN CCC(CC)c1noc(-c2cc(Cl)ccc2O)n1 ZINC000395260108 1123651815 /nfs/dbraw/zinc/65/18/15/1123651815.db2.gz ILMUGQDEGDFNJB-UHFFFAOYSA-N 0 1 266.728 3.999 20 0 CHADMN CCCc1noc(CN[C@H]2CCCCC23CCCC3)n1 ZINC000329831858 1123656116 /nfs/dbraw/zinc/65/61/16/1123656116.db2.gz SYPREBJLCDCPEK-ZDUSSCGKSA-N 0 1 277.412 3.615 20 0 CHADMN COc1c(C)cc(Cl)cc1N[C@@H]1CCCc2[nH]ncc21 ZINC000858502083 1123658462 /nfs/dbraw/zinc/65/84/62/1123658462.db2.gz HDLVRNLGAYOISV-GFCCVEGCSA-N 0 1 291.782 3.870 20 0 CHADMN C[C@@H](c1cccnc1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000346086950 1123663702 /nfs/dbraw/zinc/66/37/02/1123663702.db2.gz USWYZIBOYNAPBC-JSGCOSHPSA-N 0 1 288.341 3.910 20 0 CHADMN COc1cccc2c1CCC[C@H]2N[C@@H](C)c1ccns1 ZINC000858576118 1123663829 /nfs/dbraw/zinc/66/38/29/1123663829.db2.gz ILBIRYHEIOJPOT-SMDDNHRTSA-N 0 1 288.416 3.880 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1ccns1 ZINC000858578700 1123665650 /nfs/dbraw/zinc/66/56/50/1123665650.db2.gz QTOJZSJCLMONNF-FZMZJTMJSA-N 0 1 258.390 3.790 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c(O)cccc21)c1ccns1 ZINC000858578440 1123665878 /nfs/dbraw/zinc/66/58/78/1123665878.db2.gz ZVQQIAUBWDQHGU-ZWNOBZJWSA-N 0 1 274.389 3.577 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H](C)c1cccc(Cl)c1 ZINC000275621923 1129138727 /nfs/dbraw/zinc/13/87/27/1129138727.db2.gz IABBJPKLADXROO-JQWIXIFHSA-N 0 1 275.783 3.850 20 0 CHADMN CC[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000281151110 1123685518 /nfs/dbraw/zinc/68/55/18/1123685518.db2.gz JZHBDTQIDVOLPE-QWHCGFSZSA-N 0 1 298.390 3.627 20 0 CHADMN Fc1ccc(CN(Cc2ccnc(F)c2)CC2CC2)cc1 ZINC000859143642 1123686780 /nfs/dbraw/zinc/68/67/80/1123686780.db2.gz XAJUONUUGKVXDJ-UHFFFAOYSA-N 0 1 288.341 3.772 20 0 CHADMN CCC1(CC)CCCN(Cc2nccc(C)n2)CC1 ZINC000346477865 1123688381 /nfs/dbraw/zinc/68/83/81/1123688381.db2.gz FCUMZWGVMUOCHS-UHFFFAOYSA-N 0 1 261.413 3.577 20 0 CHADMN CO[C@H](CN[C@@H](C)c1csc(C(C)C)n1)C(C)C ZINC000346518657 1123691429 /nfs/dbraw/zinc/69/14/29/1123691429.db2.gz FZFCSZMDSKYOTL-WCQYABFASA-N 0 1 270.442 3.588 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc(C(C)(C)C)cs1)[C@@H]1CCCO1 ZINC000346570407 1123694266 /nfs/dbraw/zinc/69/42/66/1123694266.db2.gz XNSDCJSQAMZXNH-WOPDTQHZSA-N 0 1 282.453 3.659 20 0 CHADMN O=C(N[C@H](Cc1ccccc1)c1cccs1)C(F)(F)F ZINC000116827967 1123700661 /nfs/dbraw/zinc/70/06/61/1123700661.db2.gz VZBXCEKJRIRWSS-LLVKDONJSA-N 0 1 299.317 3.710 20 0 CHADMN CCOc1cc(CNc2ccc3nc[nH]c3c2)ccc1OC ZINC000346645734 1123700902 /nfs/dbraw/zinc/70/09/02/1123700902.db2.gz MQGSPHFGPONYPG-UHFFFAOYSA-N 0 1 297.358 3.582 20 0 CHADMN O=C(c1cccc(CN(C2CC2)C2CC2)c1)C(F)(F)F ZINC000859626064 1123703730 /nfs/dbraw/zinc/70/37/30/1123703730.db2.gz GSOLYIKTXYGIFN-UHFFFAOYSA-N 0 1 283.293 3.558 20 0 CHADMN Cc1cc(N2CC[C@](C)(F)C2)c2cc(F)ccc2n1 ZINC000346661917 1123705256 /nfs/dbraw/zinc/70/52/56/1123705256.db2.gz UPQQDCUCALDZSK-HNNXBMFYSA-N 0 1 262.303 3.621 20 0 CHADMN CC(C)(C)c1ncc(CNc2ccc3nc[nH]c3c2)s1 ZINC000346687759 1123707147 /nfs/dbraw/zinc/70/71/47/1123707147.db2.gz VJTCBVHLMQSQDI-UHFFFAOYSA-N 0 1 286.404 3.929 20 0 CHADMN CC1=C[C@H](C)C[C@@H](C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1 ZINC000859811836 1123710979 /nfs/dbraw/zinc/71/09/79/1123710979.db2.gz FENAGOXLASFJOQ-NUEKZKHPSA-N 0 1 293.451 3.802 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc3ccccc3n2)cn1 ZINC000346789868 1123712619 /nfs/dbraw/zinc/71/26/19/1123712619.db2.gz DWGKCTLVJWPULJ-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN Cc1ccncc1[C@H](C)NC1(c2ccc(F)cc2)CC1 ZINC000346788858 1123712835 /nfs/dbraw/zinc/71/28/35/1123712835.db2.gz BSSHEXWENSRHMC-ZDUSSCGKSA-N 0 1 270.351 3.869 20 0 CHADMN CC(C)n1cc([C@H](C)NC2(c3ccc(F)cc3)CC2)cn1 ZINC000346803129 1123715214 /nfs/dbraw/zinc/71/52/14/1123715214.db2.gz WNFFCZSNTUDNQU-ZDUSSCGKSA-N 0 1 287.382 3.943 20 0 CHADMN CC1(C)CCC[N@@H+](CCNCc2ccsc2Cl)C1 ZINC000444017191 1123721847 /nfs/dbraw/zinc/72/18/47/1123721847.db2.gz PJAMRNLLAIDWLW-UHFFFAOYSA-N 0 1 286.872 3.613 20 0 CHADMN CN(Cc1ccoc1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000346876608 1123729147 /nfs/dbraw/zinc/72/91/47/1123729147.db2.gz QHURKIJVPIPEQQ-UHFFFAOYSA-N 0 1 287.359 3.557 20 0 CHADMN C[C@@H](NCCOC1CCC1)c1ccccc1Br ZINC000346904614 1123730062 /nfs/dbraw/zinc/73/00/62/1123730062.db2.gz MDXOKVJOVVOZFR-LLVKDONJSA-N 0 1 298.224 3.669 20 0 CHADMN CCN(Cc1ccc(Cl)cc1)Cc1cncc(F)c1 ZINC000346922719 1123731523 /nfs/dbraw/zinc/73/15/23/1123731523.db2.gz OBHINLOFOZJTJC-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN CCCN(Cc1ccc(F)cc1)Cc1cncc(F)c1 ZINC000346927112 1123733170 /nfs/dbraw/zinc/73/31/70/1123733170.db2.gz VJOJSGYHOOFKLF-UHFFFAOYSA-N 0 1 276.330 3.772 20 0 CHADMN Cc1cnc([C@H](C)N2CCC(c3ccsc3)CC2)cn1 ZINC000336274173 1123754468 /nfs/dbraw/zinc/75/44/68/1123754468.db2.gz WGWIOTIQQNCFAG-ZDUSSCGKSA-N 0 1 287.432 3.787 20 0 CHADMN CC[C@H](N[C@@H](C)c1cc(C)n(C)n1)c1ccc(OC)cc1 ZINC000281942288 1123754579 /nfs/dbraw/zinc/75/45/79/1123754579.db2.gz ADGCQSUXPMDXHL-BBRMVZONSA-N 0 1 287.407 3.539 20 0 CHADMN Cc1n[nH]cc1CN[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000336332890 1123761930 /nfs/dbraw/zinc/76/19/30/1123761930.db2.gz IDNHWNHDDINWSV-AWEZNQCLSA-N 0 1 296.201 3.802 20 0 CHADMN Cc1oncc1CN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000336334885 1123762345 /nfs/dbraw/zinc/76/23/45/1123762345.db2.gz FTQSLVKEEHONNQ-LBPRGKRZSA-N 0 1 288.313 3.538 20 0 CHADMN CCc1ccccc1NC(=O)CN(C)CCC1CCCC1 ZINC000158394070 1129143633 /nfs/dbraw/zinc/14/36/33/1129143633.db2.gz CSNWMSJGMXSVQA-UHFFFAOYSA-N 0 1 288.435 3.700 20 0 CHADMN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2cccc(Br)n2)C1 ZINC000310511005 1123771985 /nfs/dbraw/zinc/77/19/85/1123771985.db2.gz LNFJNOQNPGTFHP-GRYCIOLGSA-N 0 1 297.240 3.711 20 0 CHADMN Clc1ccc(CN2CCC(c3c[nH]cn3)CC2)s1 ZINC000336471634 1123772343 /nfs/dbraw/zinc/77/23/43/1123772343.db2.gz ILDOIHMUGDMXME-UHFFFAOYSA-N 0 1 281.812 3.504 20 0 CHADMN CCCCN(CC)CC(=O)c1cc(C)n(C2CC2)c1C ZINC000444271106 1123777189 /nfs/dbraw/zinc/77/71/89/1123777189.db2.gz WUMBEDKUGBETJA-UHFFFAOYSA-N 0 1 276.424 3.745 20 0 CHADMN CC(C)Oc1ccc([C@@H](C)N[C@@H](C)c2ccncn2)cc1 ZINC000395786377 1123778572 /nfs/dbraw/zinc/77/85/72/1123778572.db2.gz HYPVETQPZGRISQ-KGLIPLIRSA-N 0 1 285.391 3.676 20 0 CHADMN Cc1ncc(CN2CCC(CCc3ccccc3)CC2)cn1 ZINC000339029624 1123781677 /nfs/dbraw/zinc/78/16/77/1123781677.db2.gz QGQCVPNFCWLPGS-UHFFFAOYSA-N 0 1 295.430 3.630 20 0 CHADMN C[C@H]1C[C@H](NCc2csc(C(F)(F)F)n2)CCS1 ZINC000896953138 1123792575 /nfs/dbraw/zinc/79/25/75/1123792575.db2.gz VOKAEKSXZVVTEO-JGVFFNPUSA-N 0 1 296.383 3.536 20 0 CHADMN c1coc(C[N@@H+](Cc2cnc3ccccn23)C2CCCC2)c1 ZINC000158528920 1129145744 /nfs/dbraw/zinc/14/57/44/1129145744.db2.gz STWSWTKVPNEFIT-UHFFFAOYSA-N 0 1 295.386 3.872 20 0 CHADMN c1coc(CN(Cc2cnc3ccccn23)C2CCCC2)c1 ZINC000158528920 1129145745 /nfs/dbraw/zinc/14/57/45/1129145745.db2.gz STWSWTKVPNEFIT-UHFFFAOYSA-N 0 1 295.386 3.872 20 0 CHADMN CCC[C@@H](NCc1ccnc(F)c1C)c1ccccn1 ZINC000862278034 1123797353 /nfs/dbraw/zinc/79/73/53/1123797353.db2.gz QJDRHQNTUKLQFE-CQSZACIVSA-N 0 1 273.355 3.555 20 0 CHADMN Cc1cccnc1[C@@H](NCc1ccnc(F)c1C)C(C)C ZINC000862278356 1123798032 /nfs/dbraw/zinc/79/80/32/1123798032.db2.gz GOCLPJAWPSTCML-HNNXBMFYSA-N 0 1 287.382 3.719 20 0 CHADMN Cc1ccc([C@H](C)CNCc2nnc(C(C)C)s2)cc1 ZINC000862284984 1123798291 /nfs/dbraw/zinc/79/82/91/1123798291.db2.gz PFSGDMUBFCTYCN-CYBMUJFWSA-N 0 1 289.448 3.863 20 0 CHADMN C[C@@H](NCc1ccsc1C(F)(F)F)c1ccc[nH]1 ZINC000862291820 1123798931 /nfs/dbraw/zinc/79/89/31/1123798931.db2.gz UAQKASGYOCQFHJ-MRVPVSSYSA-N 0 1 274.311 3.946 20 0 CHADMN Cc1c(CN2C[C@@H](C)C[C@@H]2c2cccnc2)ccnc1F ZINC000862326023 1123800454 /nfs/dbraw/zinc/80/04/54/1123800454.db2.gz IHFNRGKHFBIVIJ-BLLLJJGKSA-N 0 1 285.366 3.507 20 0 CHADMN CSc1ccc(CN2CCC(O)(C3CCC3)CC2)s1 ZINC000897036479 1123802026 /nfs/dbraw/zinc/80/20/26/1123802026.db2.gz KWCCJDPJOOLWFB-UHFFFAOYSA-N 0 1 297.489 3.597 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1ccncn1)c1ccc(F)cc1 ZINC000396064729 1123816102 /nfs/dbraw/zinc/81/61/02/1123816102.db2.gz YRPSANNGYOBIAM-LRDDRELGSA-N 0 1 273.355 3.664 20 0 CHADMN FC(F)(F)c1cccc2c1CN(C[C@@H]1CCC=CO1)CC2 ZINC000862530505 1123817132 /nfs/dbraw/zinc/81/71/32/1123817132.db2.gz NWEVGBKXFMMIEK-ZDUSSCGKSA-N 0 1 297.320 3.756 20 0 CHADMN FC(F)c1ccc(CN[C@@H](c2cccnc2)C2CC2)cn1 ZINC000631101664 1123823065 /nfs/dbraw/zinc/82/30/65/1123823065.db2.gz JDEORQCDGJFCBC-OAHLLOKOSA-N 0 1 289.329 3.655 20 0 CHADMN Fc1ccc([C@@H](NC2CCCCC2)c2cnccn2)cc1 ZINC000544379395 1123824004 /nfs/dbraw/zinc/82/40/04/1123824004.db2.gz LPLLNXVXGJUAAO-QGZVFWFLSA-N 0 1 285.366 3.627 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC000339045017 1123831302 /nfs/dbraw/zinc/83/13/02/1123831302.db2.gz RJJKFUDSERFYTF-ZFWWWQNUSA-N 0 1 269.392 3.697 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCN1CC1=Cc2ccccc2OC1 ZINC000475271302 1123832392 /nfs/dbraw/zinc/83/23/92/1123832392.db2.gz CCMVGDNIHUHDLL-FZMZJTMJSA-N 0 1 297.320 3.735 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000475272193 1123832503 /nfs/dbraw/zinc/83/25/03/1123832503.db2.gz XXJVCYBFFROSPH-PWSUYJOCSA-N 0 1 275.289 3.907 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2cnc(C)cn2)s1 ZINC000794486599 1123847615 /nfs/dbraw/zinc/84/76/15/1123847615.db2.gz HEKBBYPRHAWMNP-RYUDHWBXSA-N 0 1 261.394 3.567 20 0 CHADMN CC(C)=CCCN[C@@H](C)c1ncc(Br)s1 ZINC000276974058 1129149359 /nfs/dbraw/zinc/14/93/59/1129149359.db2.gz YFCYEWPQPUHRMK-VIFPVBQESA-N 0 1 289.242 3.913 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000475375346 1123853369 /nfs/dbraw/zinc/85/33/69/1123853369.db2.gz PROLZYFUILTESC-NEPJUHHUSA-N 0 1 274.339 3.711 20 0 CHADMN CCCc1cc(C(=O)N(Cc2ccccc2)CC(C)C)n[nH]1 ZINC000621236430 1129149649 /nfs/dbraw/zinc/14/96/49/1129149649.db2.gz WVNICAIODZEFLM-UHFFFAOYSA-N 0 1 299.418 3.661 20 0 CHADMN C[C@H](C[N@@H+](C)Cn1cccnc1=S)C1CCCCC1 ZINC000863315504 1123860154 /nfs/dbraw/zinc/86/01/54/1123860154.db2.gz ZTBJUEQKPOGAJL-CYBMUJFWSA-N 0 1 279.453 3.718 20 0 CHADMN C[C@H](CN(C)Cn1cccnc1=S)C1CCCCC1 ZINC000863315504 1123860158 /nfs/dbraw/zinc/86/01/58/1123860158.db2.gz ZTBJUEQKPOGAJL-CYBMUJFWSA-N 0 1 279.453 3.718 20 0 CHADMN Cc1cc2c(c(C)c1)[C@@H](NCc1nccn1CC(C)C)CC2 ZINC000655715220 1123865175 /nfs/dbraw/zinc/86/51/75/1123865175.db2.gz HQVWTMUOKQTJEJ-KRWDZBQOSA-N 0 1 297.446 3.933 20 0 CHADMN C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1cccnc1 ZINC000339054877 1123865536 /nfs/dbraw/zinc/86/55/36/1123865536.db2.gz YCLDYFVLEZJENG-UHFFFAOYSA-N 0 1 296.292 3.612 20 0 CHADMN CN(Cc1ccc(OC(F)(F)F)cc1)Cc1cccnc1 ZINC000339054877 1123865541 /nfs/dbraw/zinc/86/55/41/1123865541.db2.gz YCLDYFVLEZJENG-UHFFFAOYSA-N 0 1 296.292 3.612 20 0 CHADMN CCCC[C@@H](c1nc(C2(N)CCCC2)no1)C(C)C ZINC000621246100 1129153020 /nfs/dbraw/zinc/15/30/20/1129153020.db2.gz LJNVQIFPKYYYBB-GFCCVEGCSA-N 0 1 265.401 3.727 20 0 CHADMN FC(F)(F)c1nc2[nH]cnc2c(NC2CCCCCC2)n1 ZINC000301074792 1123873057 /nfs/dbraw/zinc/87/30/57/1123873057.db2.gz GUGXPFAXIRWEOX-UHFFFAOYSA-N 0 1 299.300 3.506 20 0 CHADMN CCCCN(C(=O)c1cc(C)[nH]n1)[C@H](C)c1ccc(C)o1 ZINC000621239939 1129151269 /nfs/dbraw/zinc/15/12/69/1129151269.db2.gz JZNKDJQJIZGCNF-CYBMUJFWSA-N 0 1 289.379 3.623 20 0 CHADMN CSCCCNc1ccnc2cc(F)ccc21 ZINC000301268148 1123885850 /nfs/dbraw/zinc/88/58/50/1123885850.db2.gz IPOZZLUJQDOXPW-UHFFFAOYSA-N 0 1 250.342 3.539 20 0 CHADMN Fc1ccc2c(c1)nccc2NCCCOCC1CC1 ZINC000301268241 1123886042 /nfs/dbraw/zinc/88/60/42/1123886042.db2.gz MYQZUHYHMOJIHX-UHFFFAOYSA-N 0 1 274.339 3.603 20 0 CHADMN CCc1nc(C)c(CN[C@]2(C)CCCc3ccccc32)o1 ZINC000428343714 1123889200 /nfs/dbraw/zinc/88/92/00/1123889200.db2.gz HNOWOUDBQOKCOE-GOSISDBHSA-N 0 1 284.403 3.887 20 0 CHADMN Cc1cc2ccccc2nc1NC[C@@H](c1ccco1)N(C)C ZINC000301540891 1123909752 /nfs/dbraw/zinc/90/97/52/1123909752.db2.gz CBKUSIVDYSJTSQ-INIZCTEOSA-N 0 1 295.386 3.851 20 0 CHADMN CCC[C@H](NCc1cc(C)oc1C)c1ccccn1 ZINC000119842646 1123917287 /nfs/dbraw/zinc/91/72/87/1123917287.db2.gz GQMQYPDPPMHELL-HNNXBMFYSA-N 0 1 258.365 3.922 20 0 CHADMN Cc1cccc(O[C@H](C)CNc2cc(C)ccn2)c1 ZINC000301644241 1123920630 /nfs/dbraw/zinc/92/06/30/1123920630.db2.gz NECOLZVXMJRHDZ-CQSZACIVSA-N 0 1 256.349 3.578 20 0 CHADMN Cc1cc(NC[C@@](C)(O)C(C)C)c2cc(F)ccc2n1 ZINC000301661398 1123921364 /nfs/dbraw/zinc/92/13/64/1123921364.db2.gz JQSCYRRLPDXMHK-MRXNPFEDSA-N 0 1 276.355 3.501 20 0 CHADMN Cc1ccnc(NC[C@H](C)Oc2ccccc2C)c1 ZINC000301669453 1123922682 /nfs/dbraw/zinc/92/26/82/1123922682.db2.gz YEJGGVBJAZRAAH-AWEZNQCLSA-N 0 1 256.349 3.578 20 0 CHADMN Cc1cccc(CN(C)Cc2cccc(Cl)n2)c1C ZINC000794651286 1123924952 /nfs/dbraw/zinc/92/49/52/1123924952.db2.gz UHNLLDLUSPOAHD-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Clc1cncc(CN2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000621262052 1129153471 /nfs/dbraw/zinc/15/34/71/1129153471.db2.gz MPUHRTXKXQYLQC-UONOGXRCSA-N 0 1 282.840 3.595 20 0 CHADMN Cc1cc(NCCCOC(C)C)c2cc(F)ccc2n1 ZINC000301727790 1123927755 /nfs/dbraw/zinc/92/77/55/1123927755.db2.gz NJUSTGVGEDGNOQ-UHFFFAOYSA-N 0 1 276.355 3.909 20 0 CHADMN COCCCN(C)c1ccnc2cc(C(F)(F)F)ccc21 ZINC000301767289 1123930773 /nfs/dbraw/zinc/93/07/73/1123930773.db2.gz BXKFLRFLHNIYSA-UHFFFAOYSA-N 0 1 298.308 3.726 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1cncc(Cl)c1 ZINC000621247918 1129153987 /nfs/dbraw/zinc/15/39/87/1129153987.db2.gz NTSHFZPFARZVSC-SNVBAGLBSA-N 0 1 266.797 3.990 20 0 CHADMN CCC(C)(C)c1ccc(CNc2ncnc3[nH]cnc32)cc1 ZINC000301799009 1123934063 /nfs/dbraw/zinc/93/40/63/1123934063.db2.gz RKFFCGCWNDMMKO-UHFFFAOYSA-N 0 1 295.390 3.653 20 0 CHADMN CCC(N)=NOCc1cc(Cl)ccc1OCC1CC1 ZINC000794716641 1123942814 /nfs/dbraw/zinc/94/28/14/1123942814.db2.gz WCBXNXYEDNIDHR-UHFFFAOYSA-N 0 1 282.771 3.537 20 0 CHADMN Cc1ccc([C@@H]2CSCCN2Cc2ccnc(C)c2)cc1 ZINC000621258267 1129155637 /nfs/dbraw/zinc/15/56/37/1129155637.db2.gz DMFBIVFLFQPPCY-SFHVURJKSA-N 0 1 298.455 3.989 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cccnc1F)[C@@H](C)C2 ZINC000794830659 1123963035 /nfs/dbraw/zinc/96/30/35/1123963035.db2.gz ZYLNERHZWTZHNH-LRDDRELGSA-N 0 1 270.351 3.552 20 0 CHADMN Cc1cccc(NCCCOc2ccccc2C)n1 ZINC000302232723 1123963540 /nfs/dbraw/zinc/96/35/40/1123963540.db2.gz FEQPOESPNZVOEP-UHFFFAOYSA-N 0 1 256.349 3.579 20 0 CHADMN Cc1cccc([C@H](C)NCc2cccnc2F)c1C ZINC000794831967 1123963896 /nfs/dbraw/zinc/96/38/96/1123963896.db2.gz BDNIZVLQVAHCOX-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN C[C@@H]1CC[C@H](NCc2cccnc2F)c2ccccc21 ZINC000794832695 1123969056 /nfs/dbraw/zinc/96/90/56/1123969056.db2.gz DAMXKKZPUAZNJX-WBMJQRKESA-N 0 1 270.351 3.949 20 0 CHADMN O[C@@H]1CCC[C@H]1Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000302519202 1123970934 /nfs/dbraw/zinc/97/09/34/1123970934.db2.gz APYHUSWUEJUIGQ-TZMCWYRMSA-N 0 1 296.292 3.579 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000159025610 1129157020 /nfs/dbraw/zinc/15/70/20/1129157020.db2.gz YBRCJQCPYDDIGI-ZDUSSCGKSA-N 0 1 299.418 3.593 20 0 CHADMN Cc1cc(N2CCSC[C@@H](C)C2)c2cc(F)ccc2n1 ZINC000302702535 1123979445 /nfs/dbraw/zinc/97/94/45/1123979445.db2.gz GBPYIHOGYFGVBB-NSHDSACASA-N 0 1 290.407 3.872 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cccnc1F)CCC2 ZINC000794836882 1123984588 /nfs/dbraw/zinc/98/45/88/1123984588.db2.gz RSKJTIFGDJNHRU-MRXNPFEDSA-N 0 1 270.351 3.696 20 0 CHADMN CCOc1cc(F)cc(CN[C@@H](C)c2cccc(O)c2)c1 ZINC000865450126 1123984855 /nfs/dbraw/zinc/98/48/55/1123984855.db2.gz LFDYZYSPFJSELJ-LBPRGKRZSA-N 0 1 289.350 3.781 20 0 CHADMN Cc1c(Cl)cccc1CN[C@H](CO)c1ccc(F)cc1 ZINC000865468759 1123987121 /nfs/dbraw/zinc/98/71/21/1123987121.db2.gz ZRYNLVOCUCIKPH-MRXNPFEDSA-N 0 1 293.769 3.611 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000380310766 1123988761 /nfs/dbraw/zinc/98/87/61/1123988761.db2.gz UWBLOXLTAZWZRM-CKYFFXLPSA-N 0 1 299.773 3.583 20 0 CHADMN [O-]c1cccc2c(NCCC3CC(F)(F)C3)cc[nH+]c12 ZINC000665723849 1123991105 /nfs/dbraw/zinc/99/11/05/1123991105.db2.gz AAQRQQJOPYRUDA-UHFFFAOYSA-N 0 1 278.302 3.788 20 0 CHADMN Cc1ccc(-c2cnn(CN3CCC(C)CC3)c2)cc1 ZINC000303001675 1123992199 /nfs/dbraw/zinc/99/21/99/1123992199.db2.gz HWSRQYWEPYFABX-UHFFFAOYSA-N 0 1 269.392 3.548 20 0 CHADMN Fc1ncccc1CNCc1ccccc1CC(F)(F)F ZINC000865548579 1123994062 /nfs/dbraw/zinc/99/40/62/1123994062.db2.gz JBHHTVGLPVSOHK-UHFFFAOYSA-N 0 1 298.283 3.615 20 0 CHADMN Brc1cc(CNc2nccn2C2CC2)cs1 ZINC000840886835 1123997524 /nfs/dbraw/zinc/99/75/24/1123997524.db2.gz FPRFOZJAMSWRQD-UHFFFAOYSA-N 0 1 298.209 3.654 20 0 CHADMN CC[C@@H](NCc1ccc(C)c(C)n1)c1ccccc1OC ZINC000314751669 1123999829 /nfs/dbraw/zinc/99/98/29/1123999829.db2.gz IVGGTXIOPRZQAQ-QGZVFWFLSA-N 0 1 284.403 3.948 20 0 CHADMN Cn1nc(-c2ccccc2)c(CNCC(C)(C)F)c1Cl ZINC000865653648 1124003060 /nfs/dbraw/zinc/00/30/60/1124003060.db2.gz IJAALJUCOMSRBI-UHFFFAOYSA-N 0 1 295.789 3.578 20 0 CHADMN COc1cc2ccccc2cc1CNc1nccn1C1CC1 ZINC000840887008 1124003449 /nfs/dbraw/zinc/00/34/49/1124003449.db2.gz RJNLHYJCTUCMBO-UHFFFAOYSA-N 0 1 293.370 3.992 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N1CCN(C(C)C)CC1 ZINC000303642568 1124010486 /nfs/dbraw/zinc/01/04/86/1124010486.db2.gz IKPOFNPBBCOQBU-INIZCTEOSA-N 0 1 282.472 3.536 20 0 CHADMN Clc1cccc(C2(CNCc3cocn3)CCC2)c1 ZINC000865777416 1124013339 /nfs/dbraw/zinc/01/33/39/1124013339.db2.gz XNHOCRJNFFXBMB-UHFFFAOYSA-N 0 1 276.767 3.540 20 0 CHADMN CO[C@]1(C)CCC[N@@H+](Cc2cccc(Cl)c2F)CC1 ZINC000475566167 1124014305 /nfs/dbraw/zinc/01/43/05/1124014305.db2.gz RUIMLTIDFPGLLM-OAHLLOKOSA-N 0 1 285.790 3.870 20 0 CHADMN CO[C@]1(C)CCCN(Cc2cccc(Cl)c2F)CC1 ZINC000475566167 1124014311 /nfs/dbraw/zinc/01/43/11/1124014311.db2.gz RUIMLTIDFPGLLM-OAHLLOKOSA-N 0 1 285.790 3.870 20 0 CHADMN C/C(=C/c1ccccc1)CNCc1nn(C)cc1C(F)F ZINC000865809312 1124016449 /nfs/dbraw/zinc/01/64/49/1124016449.db2.gz NQOLKNMMWQVSEP-WQLSENKSSA-N 0 1 291.345 3.551 20 0 CHADMN Cc1nc(C(C)C)oc1CNc1ccncc1C(F)(F)F ZINC000865824043 1124017227 /nfs/dbraw/zinc/01/72/27/1124017227.db2.gz JOJYXPKTPYNVTJ-UHFFFAOYSA-N 0 1 299.296 3.554 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cnc2cccc(C)n12 ZINC000865821040 1124017341 /nfs/dbraw/zinc/01/73/41/1124017341.db2.gz MPSATGUNVYHZES-CQSZACIVSA-N 0 1 295.386 3.502 20 0 CHADMN C[C@H](NCc1cccc(C2CCCC2)c1)c1ccnn1C ZINC000865837280 1124019898 /nfs/dbraw/zinc/01/98/98/1124019898.db2.gz BZZASKRRUADLHD-AWEZNQCLSA-N 0 1 283.419 3.929 20 0 CHADMN Cc1ccsc1CN[C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000571678827 1124020151 /nfs/dbraw/zinc/02/01/51/1124020151.db2.gz ZDQMQZHGOYCFJT-BMIGLBTASA-N 0 1 277.364 3.807 20 0 CHADMN COC(=O)c1cnc([C@@H](C)NC2CCC(C)(C)CC2)s1 ZINC000314788804 1124021062 /nfs/dbraw/zinc/02/10/62/1124021062.db2.gz JTCBRUKFAUENDD-SNVBAGLBSA-N 0 1 296.436 3.549 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@@H](C)c1cc2cnccc2o1 ZINC000865854213 1124021595 /nfs/dbraw/zinc/02/15/95/1124021595.db2.gz NAELUELCEMIWMI-ZDUSSCGKSA-N 0 1 298.390 3.764 20 0 CHADMN FC(F)(F)c1cnccc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000866161948 1124034865 /nfs/dbraw/zinc/03/48/65/1124034865.db2.gz BMRZRIQQACQKSL-PHIMTYICSA-N 0 1 268.282 3.503 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2cccc(C)c2C)nn1C ZINC000282017299 1124039780 /nfs/dbraw/zinc/03/97/80/1124039780.db2.gz DULNWLMSXWYWRG-GJZGRUSLSA-N 0 1 271.408 3.757 20 0 CHADMN Cc1nccc(CN[C@H]2CCc3cccc4cccc2c43)n1 ZINC000866239048 1124040679 /nfs/dbraw/zinc/04/06/79/1124040679.db2.gz PFDYHIUMFPIGPV-SFHVURJKSA-N 0 1 289.382 3.715 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCc3c(F)cc(F)cc32)cn1 ZINC000336213152 1124041909 /nfs/dbraw/zinc/04/19/09/1124041909.db2.gz IDCZKCZAOIWBMA-QGZVFWFLSA-N 0 1 288.341 3.835 20 0 CHADMN CCCN[C@H](C)c1nc(C2CCCCCC2)no1 ZINC000087949259 1124042249 /nfs/dbraw/zinc/04/22/49/1124042249.db2.gz XJDFLBFDTROVME-LLVKDONJSA-N 0 1 251.374 3.568 20 0 CHADMN CN(Cc1cnn(C)c1)Cc1ccc(-c2ccsc2)cc1 ZINC000444598517 1124044933 /nfs/dbraw/zinc/04/49/33/1124044933.db2.gz QUPQAMSGQXJRCY-UHFFFAOYSA-N 0 1 297.427 3.781 20 0 CHADMN CC(C)N(Cc1nc(C2CCCCC2)cs1)C[C@@H](C)O ZINC000444607601 1124045094 /nfs/dbraw/zinc/04/50/94/1124045094.db2.gz JEVPJSCKGNUHPU-CYBMUJFWSA-N 0 1 296.480 3.782 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1nncn1-c1ccccc1)C1CC1 ZINC000444607729 1124045889 /nfs/dbraw/zinc/04/58/89/1124045889.db2.gz JHGVJQDHFPLOOB-GJZGRUSLSA-N 0 1 298.434 3.666 20 0 CHADMN CC(C)N(C)CC(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 ZINC000444631452 1124046928 /nfs/dbraw/zinc/04/69/28/1124046928.db2.gz LYNFISGDXONMRC-OAHLLOKOSA-N 0 1 288.435 3.503 20 0 CHADMN CN(Cc1nncn1-c1ccccc1)C1CCC(C)(C)CC1 ZINC000444653307 1124047568 /nfs/dbraw/zinc/04/75/68/1124047568.db2.gz ZKJGPEGXFVEOSV-UHFFFAOYSA-N 0 1 298.434 3.668 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1Cc1nncn1-c1ccccc1 ZINC000444648833 1124048731 /nfs/dbraw/zinc/04/87/31/1124048731.db2.gz OETIZUGKHXSPRM-NVXWUHKLSA-N 0 1 298.434 3.668 20 0 CHADMN CC(C)[C@@H](N[C@H]1COCc2ccccc21)c1ccccn1 ZINC000866375620 1124059112 /nfs/dbraw/zinc/05/91/12/1124059112.db2.gz DMZABFZGCZKWTG-ZWKOTPCHSA-N 0 1 282.387 3.640 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccn2)C(C)C)cc(C)n1 ZINC000866376364 1124059261 /nfs/dbraw/zinc/05/92/61/1124059261.db2.gz NCECXZNHSSCXHE-QGZVFWFLSA-N 0 1 269.392 3.580 20 0 CHADMN CC(C)[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1ccccn1 ZINC000866389869 1124060995 /nfs/dbraw/zinc/06/09/95/1124060995.db2.gz PUJZWUYLJKAZML-KURKYZTESA-N 0 1 282.387 3.547 20 0 CHADMN CCC[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1cc(C)ccn1 ZINC000866388941 1124061456 /nfs/dbraw/zinc/06/14/56/1124061456.db2.gz GZMHNNRDWYJCAL-SCTDSRPQSA-N 0 1 296.414 3.999 20 0 CHADMN Cc1ccc(CNc2nccn2CC(C)C)cc1C ZINC000508507783 1124061543 /nfs/dbraw/zinc/06/15/43/1124061543.db2.gz VPLVDKVASQVROW-UHFFFAOYSA-N 0 1 257.381 3.768 20 0 CHADMN CC(C)[C@@H]1CCCN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000444771412 1124062575 /nfs/dbraw/zinc/06/25/75/1124062575.db2.gz JBCCGQCMANVPPJ-UONOGXRCSA-N 0 1 299.418 3.764 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCCC12CCC2 ZINC000444777938 1124064121 /nfs/dbraw/zinc/06/41/21/1124064121.db2.gz UHGMHNOFIFIJOR-UHFFFAOYSA-N 0 1 287.403 3.806 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN1CCCC12CCC2 ZINC000444785038 1124064264 /nfs/dbraw/zinc/06/42/64/1124064264.db2.gz PNKCHSGKCPNNPY-UHFFFAOYSA-N 0 1 282.387 3.678 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(C(F)(F)F)s1)c1cn[nH]c1 ZINC000717943887 1129164037 /nfs/dbraw/zinc/16/40/37/1129164037.db2.gz KHFCEEJTYFWWNX-HTQZYQBOSA-N 0 1 289.326 3.902 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)[nH]n2)o1 ZINC000195601676 1124066227 /nfs/dbraw/zinc/06/62/27/1124066227.db2.gz NLIUKVOCQKDYTL-UHFFFAOYSA-N 0 1 295.342 3.847 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CCCC[C@@H]2F)c1 ZINC000866448918 1124066614 /nfs/dbraw/zinc/06/66/14/1124066614.db2.gz NWVVQVFSHJOUAU-XFBWCDHKSA-N 0 1 278.371 3.576 20 0 CHADMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ncc(Cl)cc1F ZINC000444869627 1124068055 /nfs/dbraw/zinc/06/80/55/1124068055.db2.gz GTDORPHIIGDSNI-UHFFFAOYSA-N 0 1 296.777 3.531 20 0 CHADMN CC1(C)Cc2occc2[C@H](NCc2ccnc(F)c2)C1 ZINC000866472966 1124069071 /nfs/dbraw/zinc/06/90/71/1124069071.db2.gz HVNAMLBVCXDOCW-CYBMUJFWSA-N 0 1 274.339 3.617 20 0 CHADMN Fc1cc(CN[C@@H]2CCc3cc(F)c(Cl)cc32)ccn1 ZINC000866474489 1124069896 /nfs/dbraw/zinc/06/98/96/1124069896.db2.gz MTXKOVPITZRTDE-CQSZACIVSA-N 0 1 294.732 3.790 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN2CCC[C@@H](OCC3CC3)C2)o1 ZINC000428385980 1124073020 /nfs/dbraw/zinc/07/30/20/1124073020.db2.gz CJPIAWAZNMYKKO-FRFSOERESA-N 0 1 289.419 3.794 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cnc(C)s2)cc1O ZINC000631708143 1124073886 /nfs/dbraw/zinc/07/38/86/1124073886.db2.gz NHDBEPKHXWWTHJ-UWVGGRQHSA-N 0 1 292.404 3.578 20 0 CHADMN CCn1ccnc1[C@@H](C)NCC(CC)(CC)C(F)(F)F ZINC000866506258 1124074781 /nfs/dbraw/zinc/07/47/81/1124074781.db2.gz HADZHGSVWBEVBD-LLVKDONJSA-N 0 1 291.361 3.922 20 0 CHADMN C[C@H]1Cc2ccccc2[C@@H]1NCc1noc2ccc(F)cc12 ZINC000866511158 1124076708 /nfs/dbraw/zinc/07/67/08/1124076708.db2.gz NEWRGYATSJTRCA-BBATYDOGSA-N 0 1 296.345 3.990 20 0 CHADMN Cc1ccccc1C[C@H](C)N(C)Cc1nccs1 ZINC000445350784 1124081382 /nfs/dbraw/zinc/08/13/82/1124081382.db2.gz ICRNHPGQJIVEBF-ZDUSSCGKSA-N 0 1 260.406 3.515 20 0 CHADMN Cc1ccc(CN2CCC[C@H](OCC3CC3)C2)cc1F ZINC000428401050 1124081816 /nfs/dbraw/zinc/08/18/16/1124081816.db2.gz OMIVVSRFMOWNNP-INIZCTEOSA-N 0 1 277.383 3.525 20 0 CHADMN Cc1ccc2cc([C@@H](C)N[C@H](C)c3ccnn3C)oc2c1 ZINC000866613083 1124088188 /nfs/dbraw/zinc/08/81/88/1124088188.db2.gz FOMBPKBWQUYHOE-CHWSQXEVSA-N 0 1 283.375 3.887 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1ccc(Cl)nn1 ZINC001142073216 1124088280 /nfs/dbraw/zinc/08/82/80/1124088280.db2.gz HFBKILGKFAPIGZ-CQSZACIVSA-N 0 1 275.783 3.713 20 0 CHADMN C[C@@H](N[C@H]1CCCc2cccnc21)c1cc2cnccc2o1 ZINC000866619743 1124090113 /nfs/dbraw/zinc/09/01/13/1124090113.db2.gz HYRYGAJMPMDVPM-DOMZBBRYSA-N 0 1 293.370 3.951 20 0 CHADMN Cc1csc([C@@H](C)NC2([C@H]3CCCCO3)CCC2)n1 ZINC000866622747 1124091326 /nfs/dbraw/zinc/09/13/26/1124091326.db2.gz ICZOMIBPZIKFLD-CHWSQXEVSA-N 0 1 280.437 3.594 20 0 CHADMN CN(Cc1ccn(-c2ccccc2F)n1)C[C@H]1CC=CCC1 ZINC000445769520 1124098420 /nfs/dbraw/zinc/09/84/20/1124098420.db2.gz VKDNZRVPSGSHGI-HNNXBMFYSA-N 0 1 299.393 3.800 20 0 CHADMN C[C@H](C1CCC1)N(C)Cc1ccn(-c2ccccc2F)n1 ZINC000445814185 1124102057 /nfs/dbraw/zinc/10/20/57/1124102057.db2.gz SIPIZZCJSJJDPA-CYBMUJFWSA-N 0 1 287.382 3.632 20 0 CHADMN Cc1cc(CNCCc2c(Cl)cccc2Cl)no1 ZINC000459394477 1124102814 /nfs/dbraw/zinc/10/28/14/1124102814.db2.gz AUXJOEQGRWSMGJ-UHFFFAOYSA-N 0 1 285.174 3.622 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2ccccc2Cl)C1 ZINC000086784185 1129166367 /nfs/dbraw/zinc/16/63/67/1129166367.db2.gz OBPKKXULEKZKMW-BLLLJJGKSA-N 0 1 295.810 3.978 20 0 CHADMN CC(C)c1noc([C@H](C)N2CCCC3(CCCC3)C2)n1 ZINC000445845810 1124105079 /nfs/dbraw/zinc/10/50/79/1124105079.db2.gz ZUCMKHQYHMRYOR-ZDUSSCGKSA-N 0 1 277.412 3.910 20 0 CHADMN c1ccc(-c2nnc(CN3CCCC4(CCCC4)C3)o2)cc1 ZINC000445862935 1124105658 /nfs/dbraw/zinc/10/56/58/1124105658.db2.gz JURYSWDNJIHFBM-UHFFFAOYSA-N 0 1 297.402 3.893 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])o1 ZINC000086755044 1129166546 /nfs/dbraw/zinc/16/65/46/1129166546.db2.gz GLUCCLKXIFILNP-UMVBOHGHSA-N 0 1 291.391 3.622 20 0 CHADMN COc1ccnc(CN2CCC[C@H]2c2ccc(C)s2)c1 ZINC000114732808 1124116816 /nfs/dbraw/zinc/11/68/16/1124116816.db2.gz JRDPOZBALIOVLE-HNNXBMFYSA-N 0 1 288.416 3.797 20 0 CHADMN CCCc1nc(CN2CC[C@H](C(C)C)C2)cs1 ZINC000446732637 1124119092 /nfs/dbraw/zinc/11/90/92/1124119092.db2.gz UMICNDPYVXYURF-LBPRGKRZSA-N 0 1 252.427 3.574 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCC(CC)(CC)C2)n1 ZINC000446726184 1124120345 /nfs/dbraw/zinc/12/03/45/1124120345.db2.gz NHXOOCPYJJJGQT-CYBMUJFWSA-N 0 1 279.428 3.985 20 0 CHADMN CC(C)[C@@H]1CCN(Cc2nc(C(C)(C)C)cs2)C1 ZINC000446740866 1124120855 /nfs/dbraw/zinc/12/08/55/1124120855.db2.gz HZEJQXRVWIBLTL-GFCCVEGCSA-N 0 1 266.454 3.919 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1csc2ccccc12 ZINC000446750569 1124120863 /nfs/dbraw/zinc/12/08/63/1124120863.db2.gz HSAWUJHHZZMLLV-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN C[C@H]1CN(Cc2nc(C(C)(C)C)cs2)C[C@@H]1C ZINC000446781785 1124123009 /nfs/dbraw/zinc/12/30/09/1124123009.db2.gz AGJMBXSGDRZJBD-QWRGUYRKSA-N 0 1 252.427 3.528 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)c1ccncc1)c1ccncc1 ZINC000193200334 1124124815 /nfs/dbraw/zinc/12/48/15/1124124815.db2.gz UTICTDKFOFSHIL-BEFAXECRSA-N 0 1 289.382 3.917 20 0 CHADMN CC[C@H](c1ccccc1)N(CC)Cc1n[nH]c(C(C)C)n1 ZINC000428458836 1124127511 /nfs/dbraw/zinc/12/75/11/1124127511.db2.gz CPSAWZLJLAEWNH-OAHLLOKOSA-N 0 1 286.423 3.901 20 0 CHADMN CC(C)O[C@H](CN1C[C@H](C)OC(C)(C)C1)c1ccccc1 ZINC000428465617 1124130824 /nfs/dbraw/zinc/13/08/24/1124130824.db2.gz SNVBUBXFNJOUBO-DOTOQJQBSA-N 0 1 291.435 3.652 20 0 CHADMN CC(C)O[C@H](CN(C)Cc1ccoc1)c1ccccc1 ZINC000428464054 1124131018 /nfs/dbraw/zinc/13/10/18/1124131018.db2.gz XKRXDTRDZVXGRI-QGZVFWFLSA-N 0 1 273.376 3.878 20 0 CHADMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccc(F)cc1F ZINC000447074249 1124132523 /nfs/dbraw/zinc/13/25/23/1124132523.db2.gz DUCXUSFSEBZXDD-UHFFFAOYSA-N 0 1 293.361 3.617 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](c2ccccc2)C(C)C)cn1 ZINC000428469943 1124132858 /nfs/dbraw/zinc/13/28/58/1124132858.db2.gz XLSPFJGGYFYARA-YOEHRIQHSA-N 0 1 269.392 3.833 20 0 CHADMN CCCN(Cc1n[nH]c(C(C)C)n1)[C@H]1CCc2ccccc21 ZINC000428471277 1124134982 /nfs/dbraw/zinc/13/49/82/1124134982.db2.gz WIDKKDUSERYILQ-INIZCTEOSA-N 0 1 298.434 3.828 20 0 CHADMN Cc1nccnc1CN[C@H](C)c1cccc(C2CC2)c1 ZINC000621358791 1129171742 /nfs/dbraw/zinc/17/17/42/1129171742.db2.gz UVEMGDRJGUHNFI-GFCCVEGCSA-N 0 1 267.376 3.513 20 0 CHADMN CCCc1ccc(CNCc2cnc(CC)o2)s1 ZINC000621359816 1129171781 /nfs/dbraw/zinc/17/17/81/1129171781.db2.gz XSKUOIBUJLRLQY-UHFFFAOYSA-N 0 1 264.394 3.541 20 0 CHADMN FC(F)[C@@H](NCC[C@@H]1CCCCO1)C1CCCCC1 ZINC000621400717 1129172989 /nfs/dbraw/zinc/17/29/89/1129172989.db2.gz PYANPKDKIQLYQE-KBPBESRZSA-N 0 1 275.383 3.749 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc3nccnc3c2)c(C)o1 ZINC001119025985 1131245645 /nfs/dbraw/zinc/24/56/45/1131245645.db2.gz RFVGLVCPDSFIME-GFCCVEGCSA-N 0 1 281.359 3.690 20 0 CHADMN Cc1cc(F)cc(CN2C[C@@H]3CCCC(=O)[C@@H]3C2)c1Cl ZINC001238780127 1131246223 /nfs/dbraw/zinc/24/62/23/1131246223.db2.gz GKVVXUUNKHPRPY-SMDDNHRTSA-N 0 1 295.785 3.589 20 0 CHADMN Cc1cc(F)cc(CN2C[C@@H]3C(=O)CCC[C@@H]3C2)c1Cl ZINC001238780126 1131246228 /nfs/dbraw/zinc/24/62/28/1131246228.db2.gz GKVVXUUNKHPRPY-RISCZKNCSA-N 0 1 295.785 3.589 20 0 CHADMN CSc1ccc(-n2[nH]c(C3CCC3)cc2=O)cc1 ZINC001245925695 1131248575 /nfs/dbraw/zinc/24/85/75/1131248575.db2.gz NZSJSAZZYQWPSR-UHFFFAOYSA-N 0 1 260.362 3.567 20 0 CHADMN CC(C)Oc1cc(CN2CCC[C@@H](C)[C@@H]2C)c(F)cn1 ZINC001238804581 1131248956 /nfs/dbraw/zinc/24/89/56/1131248956.db2.gz PQMLANROALIPQL-OLZOCXBDSA-N 0 1 280.387 3.628 20 0 CHADMN CC(C)Oc1cc(CN2CC[C@H](C)C[C@H]2C)c(F)cn1 ZINC001238801830 1131249768 /nfs/dbraw/zinc/24/97/68/1131249768.db2.gz HUGMVPREDFPHJO-QWHCGFSZSA-N 0 1 280.387 3.628 20 0 CHADMN COc1cc(F)c(CN2CCCC2(C)C)cc1Cl ZINC001238789633 1131249858 /nfs/dbraw/zinc/24/98/58/1131249858.db2.gz ZMAHDXRXRJBMQT-UHFFFAOYSA-N 0 1 271.763 3.862 20 0 CHADMN COC(=O)c1cc2ccc(-c3ccc(C4CC4)cc3)[nH]c-2n1 ZINC001238829673 1131252117 /nfs/dbraw/zinc/25/21/17/1131252117.db2.gz HPUVXYGTXWCTFN-UHFFFAOYSA-N 0 1 292.338 3.894 20 0 CHADMN CN(C(=O)c1c(Cl)[nH]nc1C1CC1)[C@H]1CCC(C)(C)C1 ZINC000867946549 1124451714 /nfs/dbraw/zinc/45/17/14/1124451714.db2.gz IGBZVXADZDIFDP-JTQLQIEISA-N 0 1 295.814 3.591 20 0 CHADMN C(CSc1n[nH]c(C2CC2)n1)CC1CCCC1 ZINC000447350160 1124466495 /nfs/dbraw/zinc/46/64/95/1124466495.db2.gz QKNUPGWROCOCGM-UHFFFAOYSA-N 0 1 251.399 3.745 20 0 CHADMN C(CSc1nc(C2CC2)n[nH]1)CC1CCCC1 ZINC000447350160 1124466494 /nfs/dbraw/zinc/46/64/94/1124466494.db2.gz QKNUPGWROCOCGM-UHFFFAOYSA-N 0 1 251.399 3.745 20 0 CHADMN COc1ccc(OCCCOc2cc(C)nc(C)c2)cc1 ZINC000525870894 1124478429 /nfs/dbraw/zinc/47/84/29/1124478429.db2.gz RRYSZVKOVICTJZ-UHFFFAOYSA-N 0 1 287.359 3.555 20 0 CHADMN Cc1nc([C@H]2CCCN2CCCc2cccnc2)cs1 ZINC001119741276 1131262937 /nfs/dbraw/zinc/26/29/37/1131262937.db2.gz BKWKIHFDHMPGHR-MRXNPFEDSA-N 0 1 287.432 3.616 20 0 CHADMN CCCN(Cc1cnc2ccccn12)Cc1ccc(F)cc1 ZINC000508601787 1124490684 /nfs/dbraw/zinc/49/06/84/1124490684.db2.gz YLUVOJALNALIBE-UHFFFAOYSA-N 0 1 297.377 3.886 20 0 CHADMN Fc1cc(CNCC2(F)CC2)ccc1Oc1cccnc1 ZINC000525987006 1124490935 /nfs/dbraw/zinc/49/09/35/1124490935.db2.gz GLEPJAMZXZEMCG-UHFFFAOYSA-N 0 1 290.313 3.605 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)CCC3CC3)cc2[nH]1 ZINC000526007376 1124491981 /nfs/dbraw/zinc/49/19/81/1124491981.db2.gz OVHCJZFYDSRDSU-UHFFFAOYSA-N 0 1 285.391 3.989 20 0 CHADMN Cc1cc([C@H](C)NCc2nc3ccc(C)cc3[nH]2)c(C)o1 ZINC000447564074 1124492280 /nfs/dbraw/zinc/49/22/80/1124492280.db2.gz UQVQEWWFOBKHCK-LBPRGKRZSA-N 0 1 283.375 3.932 20 0 CHADMN Cc1oncc1CN1CCC(OCC2CCCCC2)CC1 ZINC000526083301 1124505701 /nfs/dbraw/zinc/50/57/01/1124505701.db2.gz CAILLKCWXBSWCI-UHFFFAOYSA-N 0 1 292.423 3.544 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1Cc1cnc(C(F)(F)F)s1 ZINC000447748347 1124519096 /nfs/dbraw/zinc/51/90/96/1124519096.db2.gz XIVZEBHICRQTAS-DTWKUNHWSA-N 0 1 278.343 3.782 20 0 CHADMN CCOc1cncc(CNCc2coc3ccccc23)c1 ZINC001202528760 1124526557 /nfs/dbraw/zinc/52/65/57/1124526557.db2.gz RFXYZRYMMRRENV-UHFFFAOYSA-N 0 1 282.343 3.516 20 0 CHADMN CC(C)(C)[C@H]1CN([C@H]2CCc3ccc(F)cc32)CCO1 ZINC000447841897 1124534639 /nfs/dbraw/zinc/53/46/39/1124534639.db2.gz FTHROYXOOALUTB-JKSUJKDBSA-N 0 1 277.383 3.560 20 0 CHADMN Cc1cc(CN2CCO[C@H](C(C)(C)C)C2)c2ccccc2n1 ZINC000447842151 1124534664 /nfs/dbraw/zinc/53/46/64/1124534664.db2.gz ADGAZLSIJYOTBE-SFHVURJKSA-N 0 1 298.430 3.790 20 0 CHADMN COc1cc(CNCC2(F)CC2)ccc1OCCC(C)C ZINC000526974440 1124537224 /nfs/dbraw/zinc/53/72/24/1124537224.db2.gz VOWVLOFLPDPUQP-UHFFFAOYSA-N 0 1 295.398 3.712 20 0 CHADMN C[C@H]1CSCCN1C/C=C\c1ccc(Cl)cc1 ZINC000527049154 1124547792 /nfs/dbraw/zinc/54/77/92/1124547792.db2.gz VBAQPAGSWDFNTA-DLGQBQFBSA-N 0 1 267.825 3.791 20 0 CHADMN Cc1ncc(CN[C@@H]2C[C@H](C(C)C)c3ccccc32)cn1 ZINC000447989891 1124552177 /nfs/dbraw/zinc/55/21/77/1124552177.db2.gz QEZJSVMLHWIWJD-QZTJIDSGSA-N 0 1 281.403 3.759 20 0 CHADMN Cc1ccccc1CN(C)Cc1ccnn1-c1ccccc1 ZINC000448220443 1124572547 /nfs/dbraw/zinc/57/25/47/1124572547.db2.gz OXLOKUOISABFTP-UHFFFAOYSA-N 0 1 291.398 3.813 20 0 CHADMN CC(C)c1nnc(C[N@H+]2CCCC3(CCCCC3)CC2)[nH]1 ZINC000428495254 1124579524 /nfs/dbraw/zinc/57/95/24/1124579524.db2.gz PSUQXHITQXFRNJ-UHFFFAOYSA-N 0 1 290.455 3.865 20 0 CHADMN CC(C)c1nnc(CN2CCCC3(CCCCC3)CC2)[nH]1 ZINC000428495254 1124579531 /nfs/dbraw/zinc/57/95/31/1124579531.db2.gz PSUQXHITQXFRNJ-UHFFFAOYSA-N 0 1 290.455 3.865 20 0 CHADMN COC[C@@H](NCc1ccc(CC(C)C)nc1)c1ccccc1 ZINC001120025336 1131270200 /nfs/dbraw/zinc/27/02/00/1131270200.db2.gz OMPAWTYGOOLNJX-LJQANCHMSA-N 0 1 298.430 3.757 20 0 CHADMN CCC(CC)n1ccc(CN2C[C@H](C)C[C@@H](C)C2)n1 ZINC000448518193 1124583080 /nfs/dbraw/zinc/58/30/80/1124583080.db2.gz AECZBAMVLGNJLO-ZIAGYGMSSA-N 0 1 263.429 3.722 20 0 CHADMN FCC1(CF)CC(Sc2nc(-c3ccccc3)n[nH]2)C1 ZINC000871637236 1124621217 /nfs/dbraw/zinc/62/12/17/1124621217.db2.gz FNAPTUHYNAWHOE-UHFFFAOYSA-N 0 1 295.358 3.652 20 0 CHADMN c1cc(CN2CCC[C@H]3CCC[C@H]32)n(C2CCCC2)n1 ZINC000449017143 1124630299 /nfs/dbraw/zinc/63/02/99/1124630299.db2.gz HHKQYBNGIAFRJL-RHSMWYFYSA-N 0 1 273.424 3.763 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2ccncc2F)s1 ZINC000449024092 1124639670 /nfs/dbraw/zinc/63/96/70/1124639670.db2.gz XXYATZDGLXTMHO-AWEZNQCLSA-N 0 1 276.380 3.928 20 0 CHADMN Cc1cnc(CNCCSc2ccc(Cl)cc2)s1 ZINC000449061112 1124640723 /nfs/dbraw/zinc/64/07/23/1124640723.db2.gz HMCWKWVXRRVFGB-UHFFFAOYSA-N 0 1 298.864 3.987 20 0 CHADMN COc1ccc([C@H]2CC[N@@H+](C/C=C(/C)Cl)C2)cc1 ZINC000528369225 1124649360 /nfs/dbraw/zinc/64/93/60/1124649360.db2.gz ZHMNFHRSNVXESG-VDBIKXPHSA-N 0 1 265.784 3.627 20 0 CHADMN Fc1cccc([C@@H]2CCN(Cc3ncccc3Cl)C2)c1 ZINC000528370891 1124650191 /nfs/dbraw/zinc/65/01/91/1124650191.db2.gz FZQOVDZROCQFGG-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN C/C(Cl)=C/CN1CCC(O)(c2cccc(C)c2C)CC1 ZINC000528386627 1124650652 /nfs/dbraw/zinc/65/06/52/1124650652.db2.gz CSJNIYTYUARFMR-AUWJEWJLSA-N 0 1 293.838 3.729 20 0 CHADMN CC1(C)CC[C@@H]2C(=O)N(c3nccc4sccc43)N=C2C1 ZINC000871948680 1124653931 /nfs/dbraw/zinc/65/39/31/1124653931.db2.gz YHXDEOYZGUMYOX-JTQLQIEISA-N 0 1 299.399 3.825 20 0 CHADMN O=C1[C@@H]2CCCCCCC2=NN1c1nc(F)ccc1Cl ZINC000871959020 1124654413 /nfs/dbraw/zinc/65/44/13/1124654413.db2.gz MDTBGOAPSDRURI-SECBINFHSA-N 0 1 295.745 3.547 20 0 CHADMN CC(C)c1cc(=O)n(-c2cccc3ccccc32)[nH]1 ZINC000871947230 1124654609 /nfs/dbraw/zinc/65/46/09/1124654609.db2.gz UDEHYWLLNRIYOA-UHFFFAOYSA-N 0 1 252.317 3.589 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc(O)ccc1F)c1ccccc1 ZINC000872017199 1124656890 /nfs/dbraw/zinc/65/68/90/1124656890.db2.gz WDKQPINUKHMMEN-NEPJUHHUSA-N 0 1 259.324 3.943 20 0 CHADMN CO[C@@H](CN[C@H](C)c1cc(O)ccc1F)c1ccccc1 ZINC000872024104 1124658967 /nfs/dbraw/zinc/65/89/67/1124658967.db2.gz NENYFMXUDUVAPR-PXAZEXFGSA-N 0 1 289.350 3.570 20 0 CHADMN COc1cc(C)ccc1CN[C@H](CCCO)c1ccccc1 ZINC000449164179 1124663294 /nfs/dbraw/zinc/66/32/94/1124663294.db2.gz YLZSDIKBVRKWIS-GOSISDBHSA-N 0 1 299.414 3.607 20 0 CHADMN Cc1cc(CN[C@@H]2CC(C)(C)Sc3ccccc32)ncn1 ZINC000872050549 1124666634 /nfs/dbraw/zinc/66/66/34/1124666634.db2.gz BWEWWXMZOHIVEA-OAHLLOKOSA-N 0 1 299.443 3.890 20 0 CHADMN Cc1cc(CNCc2cccc(OC(C)(C)C)n2)cs1 ZINC000449207160 1124669794 /nfs/dbraw/zinc/66/97/94/1124669794.db2.gz QNNSRRRREFVSMR-UHFFFAOYSA-N 0 1 290.432 3.919 20 0 CHADMN Cc1cnc([C@H](C)NC[C@@H](C)c2cc(F)cc(F)c2)o1 ZINC000449224120 1124674093 /nfs/dbraw/zinc/67/40/93/1124674093.db2.gz HKIGUZLAJGSLID-KOLCDFICSA-N 0 1 280.318 3.716 20 0 CHADMN CN(Cc1cscn1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170943933 1131276914 /nfs/dbraw/zinc/27/69/14/1131276914.db2.gz OFFGEBQLZABEGE-ZDUSSCGKSA-N 0 1 292.835 3.786 20 0 CHADMN C[C@@H]1CCN(Cc2cccnc2C(F)(F)F)[C@H](C)C1 ZINC000528523467 1124683372 /nfs/dbraw/zinc/68/33/72/1124683372.db2.gz DDYMUCJTMPYUDQ-GHMZBOCLSA-N 0 1 272.314 3.721 20 0 CHADMN c1nc2c(s1)CCC[C@@H]2NCc1cccc2ncccc12 ZINC000872122965 1124689771 /nfs/dbraw/zinc/68/97/71/1124689771.db2.gz KCINBRUNAZXCCN-HNNXBMFYSA-N 0 1 295.411 3.859 20 0 CHADMN CCN(Cc1cc2cccnc2o1)[C@@H](C)c1cccnc1 ZINC000449328884 1124691154 /nfs/dbraw/zinc/69/11/54/1124691154.db2.gz GXAMILONNIQZOH-ZDUSSCGKSA-N 0 1 281.359 3.806 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](C)c2nccnc2C)s1 ZINC000872134045 1124692572 /nfs/dbraw/zinc/69/25/72/1124692572.db2.gz QQDKKUOYVGRVFZ-JQWIXIFHSA-N 0 1 275.421 3.821 20 0 CHADMN Clc1cccnc1CN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000528558272 1124693298 /nfs/dbraw/zinc/69/32/98/1124693298.db2.gz RGGNGGCOSRIJFQ-CJNGLKHVSA-N 0 1 294.826 3.516 20 0 CHADMN CC[C@@H](N[C@H](C)c1nccnc1C)c1cccc(F)c1 ZINC000872135671 1124693627 /nfs/dbraw/zinc/69/36/27/1124693627.db2.gz XWJICACKDMYDOZ-IUODEOHRSA-N 0 1 273.355 3.726 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H](C)c1cc2c(s1)CCC2 ZINC000872135678 1124694020 /nfs/dbraw/zinc/69/40/20/1124694020.db2.gz XXTQTRCAGYXVKM-CMPLNLGQSA-N 0 1 287.432 3.747 20 0 CHADMN COCCC1CCN(Cc2ccc(OC)c(Cl)c2)CC1 ZINC000528576980 1124695010 /nfs/dbraw/zinc/69/50/10/1124695010.db2.gz IONOXEOMHQNYPC-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN Fc1cnccc1CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000449341786 1124695132 /nfs/dbraw/zinc/69/51/32/1124695132.db2.gz WOFNHRSUFQYRNQ-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN C[C@@H](C[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1)C(C)(C)C ZINC000872161587 1124696947 /nfs/dbraw/zinc/69/69/47/1124696947.db2.gz CPJRYHHMCGTJPT-CWRNSKLLSA-N 0 1 289.419 3.959 20 0 CHADMN C[C@H](C[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1)C(C)(C)C ZINC000872161589 1124696967 /nfs/dbraw/zinc/69/69/67/1124696967.db2.gz CPJRYHHMCGTJPT-VNQPRFMTSA-N 0 1 289.419 3.959 20 0 CHADMN C[C@H](C[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-])CC(C)(C)C ZINC000872161303 1124696985 /nfs/dbraw/zinc/69/69/85/1124696985.db2.gz WSSQEKGCUUQEDD-BBRMVZONSA-N 0 1 289.419 3.743 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1c(C)ccc2cc(C)ccc21 ZINC000872161943 1124697008 /nfs/dbraw/zinc/69/70/08/1124697008.db2.gz IGLISCCMJROIKA-KRWDZBQOSA-N 0 1 285.387 3.752 20 0 CHADMN C/C=C\C[C@H]1CCC[N@@H+](Cc2ccc(C)c(C(=O)[O-])c2)C1 ZINC000872161450 1124697045 /nfs/dbraw/zinc/69/70/45/1124697045.db2.gz TXGJPJMUXNHWOC-JZIMQPMSSA-N 0 1 287.403 3.871 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@H]2C(C)(C)C)cc1C(=O)[O-] ZINC000872158632 1124697191 /nfs/dbraw/zinc/69/71/91/1124697191.db2.gz HJBRPPQZEMVQLW-HNNXBMFYSA-N 0 1 275.392 3.704 20 0 CHADMN Cc1ccc(C[C@@]2(C)CCC[N@H+]2CCCCC(=O)[O-])cc1 ZINC000872162957 1124697225 /nfs/dbraw/zinc/69/72/25/1124697225.db2.gz QEGFKAAIJKOEMH-GOSISDBHSA-N 0 1 289.419 3.647 20 0 CHADMN Cc1ccc(C[N@H+](C)C[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000872157223 1124697282 /nfs/dbraw/zinc/69/72/82/1124697282.db2.gz NYMYLKHPZVWFDE-HNNXBMFYSA-N 0 1 297.398 3.929 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC000872165788 1124697327 /nfs/dbraw/zinc/69/73/27/1124697327.db2.gz LNTDXLASKPFQJG-HNNXBMFYSA-N 0 1 295.810 3.650 20 0 CHADMN CC[C@H](N[C@H](C)[C@@H](C)c1ccc(OC)cc1)C(F)F ZINC000449366686 1124701148 /nfs/dbraw/zinc/70/11/48/1124701148.db2.gz ZVJSXDKOBLCFCC-GYSYKLTISA-N 0 1 271.351 3.821 20 0 CHADMN CC[C@H](N[C@H]1CCC[C@@H](C(F)(F)F)C1)C(F)F ZINC000449363487 1124711628 /nfs/dbraw/zinc/71/16/28/1124711628.db2.gz PLLSWVCWBISGPK-VGMNWLOBSA-N 0 1 259.262 3.741 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(CF)CF)C1 ZINC000449382487 1124718136 /nfs/dbraw/zinc/71/81/36/1124718136.db2.gz XDWFFSWSBDKIOZ-CFVMTHIKSA-N 0 1 267.363 3.856 20 0 CHADMN Cc1noc(C23CC(C2)CN3CC[C@H]2CCC[C@H](C)C2)n1 ZINC000528625087 1124723482 /nfs/dbraw/zinc/72/34/82/1124723482.db2.gz UHUQOADKUDLRPN-PQMUNGQXSA-N 0 1 289.423 3.515 20 0 CHADMN CC[C@@H](CN1CC(C)(C)[C@H]1c1nccn1C)c1ccccc1 ZINC000449416654 1124724123 /nfs/dbraw/zinc/72/41/23/1124724123.db2.gz UUVPCFSRJZXOKJ-DOTOQJQBSA-N 0 1 297.446 3.997 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)C[C@@H](N[C@@H](C)C(C)(F)F)CC3 ZINC000449416887 1124725836 /nfs/dbraw/zinc/72/58/36/1124725836.db2.gz VZWGRDLCNWGMSQ-RYUDHWBXSA-N 0 1 292.373 3.967 20 0 CHADMN C[C@@H]1C[C@@H](NCc2c[nH]nc2C(C)(C)C)c2ccccc2O1 ZINC000449423144 1124730674 /nfs/dbraw/zinc/73/06/74/1124730674.db2.gz GOZXXWNJSVTFGY-IUODEOHRSA-N 0 1 299.418 3.709 20 0 CHADMN C[C@@H](CCc1cccc(F)c1)N[C@@H](C)C(C)(F)F ZINC000449412708 1124731681 /nfs/dbraw/zinc/73/16/81/1124731681.db2.gz GHUAUIBQJHHCGC-QWRGUYRKSA-N 0 1 259.315 3.780 20 0 CHADMN CCC[C@H](O)CNC1(c2ccc(Cl)cc2Cl)CC1 ZINC001252804121 1124736263 /nfs/dbraw/zinc/73/62/63/1124736263.db2.gz HLHAXDKNRJGXQQ-NSHDSACASA-N 0 1 288.218 3.733 20 0 CHADMN CCCCOc1ncc(-c2cncc3nc[nH]c32)cc1C ZINC001238965391 1131280756 /nfs/dbraw/zinc/28/07/56/1131280756.db2.gz REHPUZOTGVENRT-UHFFFAOYSA-N 0 1 282.347 3.507 20 0 CHADMN Cc1ccc(OC(F)F)c(CN2CCC(CF)CC2)c1 ZINC000449454119 1124744568 /nfs/dbraw/zinc/74/45/68/1124744568.db2.gz JJOHJYZQOMBXNZ-UHFFFAOYSA-N 0 1 287.325 3.778 20 0 CHADMN C[C@@H](CC(C)(C)O)NCc1csc(-c2ccsc2)n1 ZINC000449450919 1124745716 /nfs/dbraw/zinc/74/57/16/1124745716.db2.gz PVVIUUYFKIXAIB-JTQLQIEISA-N 0 1 296.461 3.511 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1cccc(CC2CCC2)c1 ZINC000873186683 1124748219 /nfs/dbraw/zinc/74/82/19/1124748219.db2.gz VEAPNBZWALYVGJ-OAHLLOKOSA-N 0 1 295.430 3.978 20 0 CHADMN C/C(=C\c1ccccc1)CN[C@H](C)c1nccnc1C ZINC000873189032 1124748901 /nfs/dbraw/zinc/74/89/01/1124748901.db2.gz MKPQIQZFYISZRJ-HFBDAHEESA-N 0 1 267.376 3.539 20 0 CHADMN C=C/C=C/CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC001136325283 1131281699 /nfs/dbraw/zinc/28/16/99/1131281699.db2.gz OSHWFPFAPMOXEN-ONEGZZNKSA-N 0 1 293.326 3.894 20 0 CHADMN CO[C@@H]1CCN(Cc2ccc(F)cc2Cl)CC1(C)C ZINC000449494670 1124763065 /nfs/dbraw/zinc/76/30/65/1124763065.db2.gz BCQJPTBKUMIXBL-CQSZACIVSA-N 0 1 285.790 3.726 20 0 CHADMN CCO[C@H]1CC[N@@H+](Cc2ccc(C)c(Cl)c2)C[C@H]1C ZINC000449497454 1124769818 /nfs/dbraw/zinc/76/98/18/1124769818.db2.gz KJUYMVJQWCDKTQ-CJNGLKHVSA-N 0 1 281.827 3.895 20 0 CHADMN CCO[C@H]1CCN(Cc2ccc(F)cc2Cl)C[C@@H]1C ZINC000449496662 1124771450 /nfs/dbraw/zinc/77/14/50/1124771450.db2.gz QEELSOBIPGWNNC-NHYWBVRUSA-N 0 1 285.790 3.726 20 0 CHADMN CC(C)[C@H]1CN([C@H]2CCc3cccc(Cl)c3C2)CCO1 ZINC001170946108 1131282705 /nfs/dbraw/zinc/28/27/05/1131282705.db2.gz ZMSGPTAZTJGRDT-WMLDXEAASA-N 0 1 293.838 3.554 20 0 CHADMN Cc1nnc(-c2ccc(-c3cccc4nc[nH]c43)cc2)o1 ZINC001239014548 1131289883 /nfs/dbraw/zinc/28/98/83/1131289883.db2.gz DVDQKKTTWXJENG-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN Cc1nnc(-c2ccc(-c3nccc4c3ccn4C)cc2)o1 ZINC001239012842 1131289941 /nfs/dbraw/zinc/28/99/41/1131289941.db2.gz LCLYGDSPGLNPFQ-UHFFFAOYSA-N 0 1 290.326 3.599 20 0 CHADMN Cc1nnc(-c2ccc(-c3cc4nc[nH]c4c(C)c3)cc2)o1 ZINC001239019386 1131290981 /nfs/dbraw/zinc/29/09/81/1131290981.db2.gz XYXLUZBPNXUQAJ-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN C[C@H]1CC(C)(C)c2cccc(NC(=O)c3ccc(CN)o3)c21 ZINC001122253856 1131298353 /nfs/dbraw/zinc/29/83/53/1131298353.db2.gz JTAOLQXIDIHVMH-NSHDSACASA-N 0 1 298.386 3.775 20 0 CHADMN CCCC[C@H](CC)CC(=O)OCc1ccc2[nH]nnc2c1 ZINC001122407072 1131299234 /nfs/dbraw/zinc/29/92/34/1131299234.db2.gz SQWVJRVPWQOZDW-LBPRGKRZSA-N 0 1 289.379 3.608 20 0 CHADMN CCCC[C@H](CC)CC(=O)OCc1ccc2nn[nH]c2c1 ZINC001122407072 1131299239 /nfs/dbraw/zinc/29/92/39/1131299239.db2.gz SQWVJRVPWQOZDW-LBPRGKRZSA-N 0 1 289.379 3.608 20 0 CHADMN CC(C)n1ccc(-c2ccc(CCN3CCOCC3)cc2)c1 ZINC001239078439 1131300900 /nfs/dbraw/zinc/30/09/00/1131300900.db2.gz PLWLLNPQMJHHPS-UHFFFAOYSA-N 0 1 298.430 3.611 20 0 CHADMN COc1cc([C@H](C)N[C@H](c2ccccc2C)C2CC2)on1 ZINC000820810453 1131302037 /nfs/dbraw/zinc/30/20/37/1131302037.db2.gz XDNIOXYSWDYOPM-SJCJKPOMSA-N 0 1 286.375 3.794 20 0 CHADMN CC(C)C[C@@H](C)OC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000820784314 1131303682 /nfs/dbraw/zinc/30/36/82/1131303682.db2.gz IICHFUSBLVQNTD-TZMCWYRMSA-N 0 1 298.452 3.512 20 0 CHADMN Cc1n[nH]cc1CN[C@@H](Cc1ccccc1C)c1ccco1 ZINC000820841429 1131306065 /nfs/dbraw/zinc/30/60/65/1131306065.db2.gz KYZKLVQLJSRWQR-KRWDZBQOSA-N 0 1 295.386 3.693 20 0 CHADMN Cc1nnc([C@H](C)N(C)C[C@@H](C)C2CCCCC2)o1 ZINC000528775690 1124801193 /nfs/dbraw/zinc/80/11/93/1124801193.db2.gz YDLZVJJPHTZLCO-NEPJUHHUSA-N 0 1 265.401 3.587 20 0 CHADMN C[C@H]1CC[C@H](CN2CCc3cccc(C(F)(F)F)c3C2)O1 ZINC000528795497 1124808780 /nfs/dbraw/zinc/80/87/80/1124808780.db2.gz VIKPLQCFFNYNMU-WCQYABFASA-N 0 1 299.336 3.631 20 0 CHADMN CCc1ncc(CNCc2csc3ccccc23)o1 ZINC000449610637 1124816286 /nfs/dbraw/zinc/81/62/86/1124816286.db2.gz RKLJSBORHKGZTH-UHFFFAOYSA-N 0 1 272.373 3.742 20 0 CHADMN Cc1ccc(CN[C@H]2CCCN(C)c3ccccc32)o1 ZINC000449650584 1124828980 /nfs/dbraw/zinc/82/89/80/1124828980.db2.gz LIDSFSZICWEJHN-INIZCTEOSA-N 0 1 270.376 3.649 20 0 CHADMN c1coc([C@H]2N(Cc3cccc4c[nH]nc43)CC23CCC3)c1 ZINC000449637204 1124831359 /nfs/dbraw/zinc/83/13/59/1124831359.db2.gz YTAGJYCHCKFSNK-QGZVFWFLSA-N 0 1 293.370 3.883 20 0 CHADMN CCCc1csc(CN2CCC[C@]3(CCSC3)C2)n1 ZINC000449729289 1124847572 /nfs/dbraw/zinc/84/75/72/1124847572.db2.gz AEWCTMIOWWSTTM-HNNXBMFYSA-N 0 1 296.505 3.815 20 0 CHADMN CCn1cc(CN2CCC[C@H]2c2ccc(F)cc2C)cn1 ZINC000449731838 1124849591 /nfs/dbraw/zinc/84/95/91/1124849591.db2.gz JRVSVKMQCMQANO-KRWDZBQOSA-N 0 1 287.382 3.688 20 0 CHADMN Cc1cnc(CN(C(C)C)C2CC(C)(C)C2)s1 ZINC000449783543 1124869324 /nfs/dbraw/zinc/86/93/24/1124869324.db2.gz PTPIUDPMEHJYAJ-UHFFFAOYSA-N 0 1 252.427 3.851 20 0 CHADMN OCCC[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000449792379 1124875567 /nfs/dbraw/zinc/87/55/67/1124875567.db2.gz SVQCXDWUYHWJAA-LLVKDONJSA-N 0 1 288.218 3.588 20 0 CHADMN CC[C@H](CC(C)C)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000450008354 1124912789 /nfs/dbraw/zinc/91/27/89/1124912789.db2.gz GQOYBDWZQRXJIL-CYBMUJFWSA-N 0 1 287.407 3.560 20 0 CHADMN CC(C)Oc1ncc(Cl)cc1-c1cccn2cncc12 ZINC001239326238 1131318380 /nfs/dbraw/zinc/31/83/80/1131318380.db2.gz MWZGQSYFBJCEBG-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN Cc1scc(CNCc2ccccc2[N+](=O)[O-])c1C ZINC000399776899 1124918693 /nfs/dbraw/zinc/91/86/93/1124918693.db2.gz QRPDJCJUKYXKNN-UHFFFAOYSA-N 0 1 276.361 3.563 20 0 CHADMN CCN(C/C=C/Cl)[C@H](C)c1cccc(OC)c1 ZINC000054340006 1124941673 /nfs/dbraw/zinc/94/16/73/1124941673.db2.gz YWNQXQRXJXKDQV-UVMWJGKXSA-N 0 1 253.773 3.831 20 0 CHADMN Cc1nc(C)c(C(=O)N(c2ccc(C)cc2)C2CCC2)[nH]1 ZINC000923647778 1124947702 /nfs/dbraw/zinc/94/77/02/1124947702.db2.gz WALMYFIPMPTMBW-UHFFFAOYSA-N 0 1 283.375 3.534 20 0 CHADMN Fc1ccccc1CN(Cc1cccc2c[nH]nc21)C1CC1 ZINC000120564201 1124950471 /nfs/dbraw/zinc/95/04/71/1124950471.db2.gz XCTVEVFFFCNZEO-UHFFFAOYSA-N 0 1 295.361 3.867 20 0 CHADMN Cc1scc(CNCc2cccc([N+](=O)[O-])c2)c1C ZINC000399805069 1124957743 /nfs/dbraw/zinc/95/77/43/1124957743.db2.gz DSRPXVSGZUUJAA-UHFFFAOYSA-N 0 1 276.361 3.563 20 0 CHADMN Cc1cc2nc(N3CCC(c4ccn[nH]4)CC3)oc2c(C)c1 ZINC000450302371 1124972681 /nfs/dbraw/zinc/97/26/81/1124972681.db2.gz WDVZBDSVWAXPDH-UHFFFAOYSA-N 0 1 296.374 3.552 20 0 CHADMN COC[C@@H]1CCCN(Cc2ccsc2C(F)(F)F)C1 ZINC000529531072 1124981857 /nfs/dbraw/zinc/98/18/57/1124981857.db2.gz FKCFOTSIHKOWKY-SNVBAGLBSA-N 0 1 293.354 3.625 20 0 CHADMN CCC(C)(C)N(C)Cc1ncc(Br)cc1F ZINC000529526315 1124984842 /nfs/dbraw/zinc/98/48/42/1124984842.db2.gz CFKUARQCRXNUAM-UHFFFAOYSA-N 0 1 289.192 3.604 20 0 CHADMN COc1ccc(C)cc1CNCc1cccc(Cl)c1N ZINC000876910910 1124989633 /nfs/dbraw/zinc/98/96/33/1124989633.db2.gz PLHKVNGIFVFBFP-UHFFFAOYSA-N 0 1 290.794 3.529 20 0 CHADMN CC(C)(C)c1ccc(CNCc2cn3ccccc3n2)s1 ZINC000126262897 1124993376 /nfs/dbraw/zinc/99/33/76/1124993376.db2.gz WDVCSSQUGRWLSF-UHFFFAOYSA-N 0 1 299.443 3.983 20 0 CHADMN Cn1nccc1[C@H]1CCCCN1Cc1ccc2cc[nH]c2c1 ZINC000529556098 1124996858 /nfs/dbraw/zinc/99/68/58/1124996858.db2.gz JQBLBJDTVUSHLR-GOSISDBHSA-N 0 1 294.402 3.629 20 0 CHADMN Clc1csc(CN[C@@H]2C[C@H]2Cc2ccccc2)n1 ZINC000877044564 1125001519 /nfs/dbraw/zinc/00/15/19/1125001519.db2.gz CSMPKGKBRYYRMB-VXGBXAGGSA-N 0 1 278.808 3.517 20 0 CHADMN Fc1cccc(C2(CNCc3nc(Cl)cs3)CC2)c1 ZINC000877048108 1125003776 /nfs/dbraw/zinc/00/37/76/1125003776.db2.gz IPTDZPARCLFAKQ-UHFFFAOYSA-N 0 1 296.798 3.757 20 0 CHADMN CC(C)[C@@H]1N(Cc2ccc(F)cn2)CC12CCCC2 ZINC000529595910 1125005201 /nfs/dbraw/zinc/00/52/01/1125005201.db2.gz HISLHRWYYAUTLM-HNNXBMFYSA-N 0 1 262.372 3.621 20 0 CHADMN CC(=O)c1cccc(CN2CCCc3ccccc3C2)c1 ZINC000450393053 1125005463 /nfs/dbraw/zinc/00/54/63/1125005463.db2.gz PRGJPXGIYLPFTO-UHFFFAOYSA-N 0 1 279.383 3.838 20 0 CHADMN CC(C)(C)c1nnc(CNCC2(C)CCCC2)s1 ZINC000877084699 1125007893 /nfs/dbraw/zinc/00/78/93/1125007893.db2.gz OECBVMXRNFEXED-UHFFFAOYSA-N 0 1 267.442 3.506 20 0 CHADMN C[C@@H]1CCC[C@@]1(C)C(=O)Nc1cccc(Cl)c1O ZINC000450410360 1125010633 /nfs/dbraw/zinc/01/06/33/1125010633.db2.gz MSGANJRRKJZYDN-YMTOWFKASA-N 0 1 267.756 3.810 20 0 CHADMN Cc1nc(C(C)C)sc1[C@@H](C)N(C)CCOCC1CC1 ZINC000120963530 1125014195 /nfs/dbraw/zinc/01/41/95/1125014195.db2.gz QJQDQGHJMOZAJX-CYBMUJFWSA-N 0 1 296.480 3.994 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1nnc(C2CC2)s1 ZINC000450414976 1125018883 /nfs/dbraw/zinc/01/88/83/1125018883.db2.gz ZUSZLZWJIVIHPO-IUODEOHRSA-N 0 1 299.443 3.794 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N(CC)Cc1cnns1 ZINC000450433618 1125023056 /nfs/dbraw/zinc/02/30/56/1125023056.db2.gz BCBUNIOXLIGYAB-OAHLLOKOSA-N 0 1 289.448 3.690 20 0 CHADMN CC(C)c1nnc(CN2C[C@@H](C)CCC[C@H]2C)s1 ZINC000450437742 1125024640 /nfs/dbraw/zinc/02/46/40/1125024640.db2.gz TYNJXIOWJZUVTG-NWDGAFQWSA-N 0 1 267.442 3.672 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nnc(C2CC2)s1 ZINC000450437947 1125025408 /nfs/dbraw/zinc/02/54/08/1125025408.db2.gz LQNWKAZNXLSNBK-RTXFEEFZSA-N 0 1 277.437 3.569 20 0 CHADMN C[C@H]1CCSCCN1Cc1cc2c(ccnc2Cl)o1 ZINC000877473580 1125031102 /nfs/dbraw/zinc/03/11/02/1125031102.db2.gz KETJOTLKAHTVCJ-JTQLQIEISA-N 0 1 296.823 3.809 20 0 CHADMN Clc1csc(CN[C@H]2C[C@H](c3ccccc3)C2)n1 ZINC000877495890 1125034119 /nfs/dbraw/zinc/03/41/19/1125034119.db2.gz IQKXIDOFCHUBIA-HAQNSBGRSA-N 0 1 278.808 3.832 20 0 CHADMN Clc1csc(CN[C@H]2Cc3ccc(Cl)cc3C2)n1 ZINC000877498838 1125036487 /nfs/dbraw/zinc/03/64/87/1125036487.db2.gz VJNPEYDCOFRDLE-NSHDSACASA-N 0 1 299.226 3.707 20 0 CHADMN CCN(C[C@@H]1CC1(Cl)Cl)[C@@H](C)c1cccnc1 ZINC000877531741 1125040625 /nfs/dbraw/zinc/04/06/25/1125040625.db2.gz QXXQHSRVEFBXDK-JQWIXIFHSA-N 0 1 273.207 3.658 20 0 CHADMN CCOc1cc(F)cc(CN2CCC(C)(OCC)CC2)c1 ZINC000877543348 1125041870 /nfs/dbraw/zinc/04/18/70/1125041870.db2.gz FEMURDOBJJLLGG-UHFFFAOYSA-N 0 1 295.398 3.615 20 0 CHADMN C[C@H](N(C)Cc1ccn(CCc2ccccc2)n1)C1(C)CC1 ZINC000450491946 1125045875 /nfs/dbraw/zinc/04/58/75/1125045875.db2.gz YTRBKOGKENYPOS-INIZCTEOSA-N 0 1 297.446 3.746 20 0 CHADMN CC(C)(CF)NCc1ccc(Cl)c(Cl)c1 ZINC000389974585 1125046570 /nfs/dbraw/zinc/04/65/70/1125046570.db2.gz DUQLTCLZTDUTEM-UHFFFAOYSA-N 0 1 250.144 3.831 20 0 CHADMN CSC(C)(C)CCN1Cc2cccc(F)c2C1 ZINC000877584861 1125047975 /nfs/dbraw/zinc/04/79/75/1125047975.db2.gz JVKLPZJZQUPFOZ-UHFFFAOYSA-N 0 1 253.386 3.673 20 0 CHADMN CC[C@@H](c1ccccc1)N1CCO[C@H](c2ccco2)C1 ZINC000121137682 1125051507 /nfs/dbraw/zinc/05/15/07/1125051507.db2.gz IYMVLDUMZXYTKA-RDJZCZTQSA-N 0 1 271.360 3.804 20 0 CHADMN CC(=O)c1ccc(CN2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000450548975 1125054087 /nfs/dbraw/zinc/05/40/87/1125054087.db2.gz JQIXYRQFETWCOF-LJQANCHMSA-N 0 1 294.398 3.576 20 0 CHADMN O=c1[nH]ccc2oc(CN3CCC(c4ccco4)CC3)cc21 ZINC000877622506 1125056500 /nfs/dbraw/zinc/05/65/00/1125056500.db2.gz OZCYULQIRQJLEE-UHFFFAOYSA-N 0 1 298.342 3.506 20 0 CHADMN Clc1sccc1CN1CC[C@H]2CSC[C@H]2C1 ZINC000877740540 1125073365 /nfs/dbraw/zinc/07/33/65/1125073365.db2.gz WESFHRDPKBZTSK-WDEREUQCSA-N 0 1 273.854 3.586 20 0 CHADMN FC(F)(F)[C@@H]1CC=CC[C@H]1NCc1cnc(C2CC2)o1 ZINC000877760955 1125076363 /nfs/dbraw/zinc/07/63/63/1125076363.db2.gz PDZNERAJHOFCIR-VXGBXAGGSA-N 0 1 286.297 3.539 20 0 CHADMN Cc1nc(C)c(CN2CC([C@@H]3CCC[C@H](C)C3)C2)o1 ZINC000877763974 1125076595 /nfs/dbraw/zinc/07/65/95/1125076595.db2.gz POCLMSQZABSMBA-SMDDNHRTSA-N 0 1 262.397 3.550 20 0 CHADMN C[C@@H](N[C@H](C)C(C)(C)c1ccccc1)c1csnn1 ZINC000450668437 1125082962 /nfs/dbraw/zinc/08/29/62/1125082962.db2.gz ORTGPATZACOOAI-VXGBXAGGSA-N 0 1 275.421 3.555 20 0 CHADMN C[C@]1(CNCc2noc3c2CC(C)(C)CC3)CCCS1 ZINC000877810118 1125083688 /nfs/dbraw/zinc/08/36/88/1125083688.db2.gz OWPVWKNUQPHIOY-MRXNPFEDSA-N 0 1 294.464 3.565 20 0 CHADMN FC1(F)CC[C@H](CSc2nc(-c3ccccc3)n[nH]2)C1 ZINC000450681527 1125084843 /nfs/dbraw/zinc/08/48/43/1125084843.db2.gz OEJNSNIVMQHKAM-JTQLQIEISA-N 0 1 295.358 3.999 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)O[C@H](C)C2)s1 ZINC000877821495 1125088288 /nfs/dbraw/zinc/08/82/88/1125088288.db2.gz BCFJILFWFDWKAF-SKDRFNHKSA-N 0 1 293.354 3.598 20 0 CHADMN CC(C)c1nnc(CN2C[C@H](C)[C@H]3CCCC[C@H]32)s1 ZINC000450721799 1125090145 /nfs/dbraw/zinc/09/01/45/1125090145.db2.gz YAUXWHAVYUFXRU-YNEHKIRRSA-N 0 1 279.453 3.672 20 0 CHADMN COc1cc2c(cc1F)CN(C[C@H]1CCC(F)(F)C1)CC2 ZINC000450698464 1125090758 /nfs/dbraw/zinc/09/07/58/1125090758.db2.gz JGVWCXCNJUDJLG-NSHDSACASA-N 0 1 299.336 3.628 20 0 CHADMN Cc1conc1C[N@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000877891574 1125095964 /nfs/dbraw/zinc/09/59/64/1125095964.db2.gz AYRKTKMXYNRAHQ-INIZCTEOSA-N 0 1 256.349 3.629 20 0 CHADMN Cc1conc1CN1CCC[C@H]1c1ccc(C)cc1 ZINC000877891574 1125095973 /nfs/dbraw/zinc/09/59/73/1125095973.db2.gz AYRKTKMXYNRAHQ-INIZCTEOSA-N 0 1 256.349 3.629 20 0 CHADMN CN(Cc1ccoc1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000877989441 1125110920 /nfs/dbraw/zinc/11/09/20/1125110920.db2.gz ZQXPNEYWTNKIEJ-IRXDYDNUSA-N 0 1 271.360 3.632 20 0 CHADMN Cc1nc2c(s1)[C@H](N(C)Cc1ccc(C)cn1)CCC2 ZINC000121404732 1125119383 /nfs/dbraw/zinc/11/93/83/1125119383.db2.gz BEAYUSSDEOGJMT-OAHLLOKOSA-N 0 1 287.432 3.664 20 0 CHADMN C1=CC[C@@]2(CC1)CCCN(Cc1nc3c(o1)CCCC3)C2 ZINC000878106762 1125120283 /nfs/dbraw/zinc/12/02/83/1125120283.db2.gz QSJWIOWGQPQXBF-GOSISDBHSA-N 0 1 286.419 3.876 20 0 CHADMN Cc1ncccc1CN(C)CCOc1cccc(Cl)c1 ZINC000121497080 1125124270 /nfs/dbraw/zinc/12/42/70/1125124270.db2.gz UYKZAOOZQPDIQW-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN CC[C@@H](C)CN(C)CC(=O)c1c(C)[nH]c2ccccc21 ZINC000303460987 1125127228 /nfs/dbraw/zinc/12/72/28/1125127228.db2.gz LMUQKHFAYRPOAS-GFCCVEGCSA-N 0 1 272.392 3.637 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1F ZINC000303514729 1125130198 /nfs/dbraw/zinc/13/01/98/1125130198.db2.gz XQCMGDMUMDQJFX-MRXNPFEDSA-N 0 1 298.405 3.532 20 0 CHADMN CC(C)N(Cc1scnc1Cl)C1CCCC1 ZINC000878234570 1125133638 /nfs/dbraw/zinc/13/36/38/1125133638.db2.gz YVEDXBFHFRJOHM-UHFFFAOYSA-N 0 1 258.818 3.950 20 0 CHADMN Cc1cccc(CN(C)C[C@@H]2CC[C@@H](c3ccccc3)O2)n1 ZINC000878254875 1125135508 /nfs/dbraw/zinc/13/55/08/1125135508.db2.gz IPPPLMDHZZMRDR-OALUTQOASA-N 0 1 296.414 3.742 20 0 CHADMN C[C@@H]1CC[C@@H](N[C@@H](CO)c2c(Cl)cccc2Cl)C1 ZINC000530281691 1125138676 /nfs/dbraw/zinc/13/86/76/1125138676.db2.gz MPXDASXILQOPCP-BREBYQMCSA-N 0 1 288.218 3.805 20 0 CHADMN COc1ccc([C@@H]2CCCCCN2Cc2ccnn2C)cc1 ZINC000121689054 1125141719 /nfs/dbraw/zinc/14/17/19/1125141719.db2.gz SSHPAXHPQMWXJZ-SFHVURJKSA-N 0 1 299.418 3.546 20 0 CHADMN COc1cccc([C@@H](C)NCc2ccc(C)c(Cl)n2)c1 ZINC000878349079 1125143664 /nfs/dbraw/zinc/14/36/64/1125143664.db2.gz CEIZCVZIEHBXBU-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@]1(F)CC[N@@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000530336502 1125144033 /nfs/dbraw/zinc/14/40/33/1125144033.db2.gz YDBHNUJNUCUSEW-HSWBROFVSA-N 0 1 253.748 3.787 20 0 CHADMN C[C@]1(F)CCN(C/C=C/c2ccc(Cl)cc2)C1 ZINC000530336502 1125144038 /nfs/dbraw/zinc/14/40/38/1125144038.db2.gz YDBHNUJNUCUSEW-HSWBROFVSA-N 0 1 253.748 3.787 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC(C(C)(C)C)CC2)o1 ZINC000530361396 1125146042 /nfs/dbraw/zinc/14/60/42/1125146042.db2.gz ICBUOYKGGGJFKI-GFCCVEGCSA-N 0 1 250.386 3.802 20 0 CHADMN Fc1ccccc1C1(NCc2cccc3c2CCOC3)CC1 ZINC000878365613 1125146437 /nfs/dbraw/zinc/14/64/37/1125146437.db2.gz AUQQFCBLTMTDCQ-UHFFFAOYSA-N 0 1 297.373 3.677 20 0 CHADMN CC[C@@H](NC[C@H]1CCC2(CCC2)O1)c1nc(C)cs1 ZINC000878408665 1125149869 /nfs/dbraw/zinc/14/98/69/1125149869.db2.gz VRTQIJGFFQANBB-CHWSQXEVSA-N 0 1 280.437 3.594 20 0 CHADMN Cc1conc1CN1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000878406024 1125149988 /nfs/dbraw/zinc/14/99/88/1125149988.db2.gz XFUCSIQFRMJDRQ-OAHLLOKOSA-N 0 1 270.376 3.589 20 0 CHADMN Cc1ccc([C@H]2CCN(Cc3nc4c(o3)CCCC4)C2)cc1 ZINC000878405529 1125150110 /nfs/dbraw/zinc/15/01/10/1125150110.db2.gz GRJRRJWLXJTDHW-INIZCTEOSA-N 0 1 296.414 3.851 20 0 CHADMN Cn1ccnc1[C@H](N[C@H]1CCC12CCCC2)c1ccccc1 ZINC000530439863 1125154266 /nfs/dbraw/zinc/15/42/66/1125154266.db2.gz WAMZEXWLSBOFBO-DLBZAZTESA-N 0 1 295.430 3.822 20 0 CHADMN C[C@@H](c1ccccn1)N(C)C[C@H]1CCC2(CCCC2)O1 ZINC000530463010 1125155854 /nfs/dbraw/zinc/15/58/54/1125155854.db2.gz RHXPPJKZJNIQDY-LSDHHAIUSA-N 0 1 274.408 3.566 20 0 CHADMN Cc1ccc(CN2CCCC23CCC3)nc1Cl ZINC000878518927 1125158614 /nfs/dbraw/zinc/15/86/14/1125158614.db2.gz WDZGJNUMSMQELT-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN C[C@@H]1C[C@@H](C)N1C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878533280 1125160009 /nfs/dbraw/zinc/16/00/09/1125160009.db2.gz MSEHEQWQKUFQPP-JRKPZEMJSA-N 0 1 274.191 3.510 20 0 CHADMN Cc1csc(C(C)(C)NC[C@H]2CCC3(CCCC3)O2)n1 ZINC000530517839 1125160250 /nfs/dbraw/zinc/16/02/50/1125160250.db2.gz ZDACXCHHDTXMCB-CYBMUJFWSA-N 0 1 294.464 3.768 20 0 CHADMN Cc1conc1CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000878625907 1125167938 /nfs/dbraw/zinc/16/79/38/1125167938.db2.gz HGLKRZWTFJWVMZ-PHIMTYICSA-N 0 1 276.302 3.536 20 0 CHADMN Clc1ccc(-c2nnc(CN3C4CCC3CC4)o2)cc1 ZINC000530626104 1125168712 /nfs/dbraw/zinc/16/87/12/1125168712.db2.gz GVSMOXMRMNTHSI-UHFFFAOYSA-N 0 1 289.766 3.517 20 0 CHADMN CSC[C@@H]1CCCN(Cc2ccc(C)c(Cl)n2)C1 ZINC000878646810 1125169443 /nfs/dbraw/zinc/16/94/43/1125169443.db2.gz JBEXYBRPFPWZJK-GFCCVEGCSA-N 0 1 284.856 3.618 20 0 CHADMN CSC[C@H]1CCCN(Cc2ccc(C)c(Cl)n2)C1 ZINC000878646811 1125169491 /nfs/dbraw/zinc/16/94/91/1125169491.db2.gz JBEXYBRPFPWZJK-LBPRGKRZSA-N 0 1 284.856 3.618 20 0 CHADMN COCOc1cnc(-c2ccc(C)cc2)cc1/C=C/N(C)C ZINC001239478889 1131337014 /nfs/dbraw/zinc/33/70/14/1131337014.db2.gz FFXQNBYTLGTESX-MDZDMXLPSA-N 0 1 298.386 3.572 20 0 CHADMN CC1(C)CO[C@@H](CCC(=O)Nc2cccc(Cl)c2O)C1 ZINC000878822856 1125180929 /nfs/dbraw/zinc/18/09/29/1125180929.db2.gz XHYMWBMMAHNFGD-JTQLQIEISA-N 0 1 297.782 3.579 20 0 CHADMN Fc1ccc([C@H]2CCN2C[C@H]2CCC3(CCC3)O2)cc1 ZINC000878921037 1125186450 /nfs/dbraw/zinc/18/64/50/1125186450.db2.gz LEJBOSJYKGQCSK-HZPDHXFCSA-N 0 1 275.367 3.674 20 0 CHADMN COc1cccc(C[N@@H+](C)[C@H]2CCCc3ccccc32)n1 ZINC000530908256 1125187083 /nfs/dbraw/zinc/18/70/83/1125187083.db2.gz WBOMJQPRJAODPD-KRWDZBQOSA-N 0 1 282.387 3.600 20 0 CHADMN C[C@H](NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1ncco1 ZINC000925240247 1125190085 /nfs/dbraw/zinc/19/00/85/1125190085.db2.gz OKVFOXSWTGCUFN-DCAQKATOSA-N 0 1 276.302 3.694 20 0 CHADMN CC1(C)C[N@@H+](C[C@@H]2CCC3(CCC3)O2)[C@@H]1c1ccncc1 ZINC000879009964 1125191130 /nfs/dbraw/zinc/19/11/30/1125191130.db2.gz MYZFRKJQZMCDOG-JKSUJKDBSA-N 0 1 286.419 3.566 20 0 CHADMN CC1(C)CN(C[C@@H]2CCC3(CCC3)O2)[C@@H]1c1ccncc1 ZINC000879009964 1125191133 /nfs/dbraw/zinc/19/11/33/1125191133.db2.gz MYZFRKJQZMCDOG-JKSUJKDBSA-N 0 1 286.419 3.566 20 0 CHADMN CC1(C)C[N@@H+](C[C@@H]2CCC(C)(C)CO2)[C@@H]1c1cccnc1 ZINC000879010710 1125191801 /nfs/dbraw/zinc/19/18/01/1125191801.db2.gz ZKSLNCUXENCMNV-JKSUJKDBSA-N 0 1 288.435 3.670 20 0 CHADMN CC1(C)CN(C[C@@H]2CCC(C)(C)CO2)[C@@H]1c1cccnc1 ZINC000879010710 1125191803 /nfs/dbraw/zinc/19/18/03/1125191803.db2.gz ZKSLNCUXENCMNV-JKSUJKDBSA-N 0 1 288.435 3.670 20 0 CHADMN COc1cccc2c1CN(CC[C@H]1CCCC1(F)F)C2 ZINC000879054053 1125193754 /nfs/dbraw/zinc/19/37/54/1125193754.db2.gz KDABTYISTVMULX-CYBMUJFWSA-N 0 1 281.346 3.836 20 0 CHADMN C[C@@H](c1cccc2ccccc21)N(C)Cc1cnccn1 ZINC000531416324 1125217397 /nfs/dbraw/zinc/21/73/97/1125217397.db2.gz FOZZIIDBLCEYQW-AWEZNQCLSA-N 0 1 277.371 3.823 20 0 CHADMN CCC1(CO)CCN([C@H](C)c2cc(F)ccc2F)CC1 ZINC000305736972 1125220684 /nfs/dbraw/zinc/22/06/84/1125220684.db2.gz MGZXLPPHSMNCAO-GFCCVEGCSA-N 0 1 283.362 3.510 20 0 CHADMN Fc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1F ZINC000531470603 1125223485 /nfs/dbraw/zinc/22/34/85/1125223485.db2.gz NQHMDJYQEBNHMX-LSDHHAIUSA-N 0 1 283.387 3.825 20 0 CHADMN Fc1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)cc1F ZINC000531470603 1125223486 /nfs/dbraw/zinc/22/34/86/1125223486.db2.gz NQHMDJYQEBNHMX-LSDHHAIUSA-N 0 1 283.387 3.825 20 0 CHADMN C[N@@H+](CCc1cccs1)Cc1cc(F)ccc1F ZINC000531472125 1125223926 /nfs/dbraw/zinc/22/39/26/1125223926.db2.gz KEQQJEUQHADCCV-UHFFFAOYSA-N 0 1 267.344 3.701 20 0 CHADMN CN(CCc1cccs1)Cc1cc(F)ccc1F ZINC000531472125 1125223930 /nfs/dbraw/zinc/22/39/30/1125223930.db2.gz KEQQJEUQHADCCV-UHFFFAOYSA-N 0 1 267.344 3.701 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2cc3cnccc3o2)c(C)n1 ZINC000879713470 1125226815 /nfs/dbraw/zinc/22/68/15/1125226815.db2.gz AGPLGNRABOMSQX-CQSZACIVSA-N 0 1 295.386 3.999 20 0 CHADMN Cc1cncc([C@@H]2CCC[N@H+]2C[C@@H]2CC2(Cl)Cl)c1 ZINC000879748351 1125229570 /nfs/dbraw/zinc/22/95/70/1125229570.db2.gz HJZBQYHSZBZXRD-STQMWFEESA-N 0 1 285.218 3.721 20 0 CHADMN Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)COC3)c1 ZINC000879748970 1125230257 /nfs/dbraw/zinc/23/02/57/1125230257.db2.gz CDHJUSKOSOBIPE-IBGZPJMESA-N 0 1 294.398 3.757 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@H]2c2cncc(C)c2)s1 ZINC000879750485 1125231166 /nfs/dbraw/zinc/23/11/66/1125231166.db2.gz RPRORJRBFSNSJC-HNNXBMFYSA-N 0 1 287.432 3.800 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1cc(Cl)cn1C ZINC000532072506 1125232316 /nfs/dbraw/zinc/23/23/16/1125232316.db2.gz OQXIWSPANVKKAF-RMKNXTFCSA-N 0 1 274.795 3.824 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@@H](C)c2cnn(C(C)C)c2)cn1 ZINC000532229542 1125241641 /nfs/dbraw/zinc/24/16/41/1125241641.db2.gz SFFQASHDRVHKAK-KBPBESRZSA-N 0 1 289.427 3.653 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@H](C)c2cnn(C(C)C)c2)cn1 ZINC000532229544 1125242520 /nfs/dbraw/zinc/24/25/20/1125242520.db2.gz SFFQASHDRVHKAK-ZIAGYGMSSA-N 0 1 289.427 3.653 20 0 CHADMN CCc1cc(CN[C@@H](C)c2cc(C)cc(C)c2)on1 ZINC000532232626 1125243486 /nfs/dbraw/zinc/24/34/86/1125243486.db2.gz SHBFYYNVPRYNSU-ZDUSSCGKSA-N 0 1 258.365 3.705 20 0 CHADMN C[C@@H]1CN(CCC(C)(C)C)C[C@@H](c2ccsc2)O1 ZINC000532351691 1125251218 /nfs/dbraw/zinc/25/12/18/1125251218.db2.gz MCQMJKMROAUZKT-OCCSQVGLSA-N 0 1 267.438 3.946 20 0 CHADMN FC[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000880233396 1125257934 /nfs/dbraw/zinc/25/79/34/1125257934.db2.gz CCELHGIWVQZZCN-LBPRGKRZSA-N 0 1 292.329 3.662 20 0 CHADMN FC[C@@H]1CCCN(Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000880233396 1125257940 /nfs/dbraw/zinc/25/79/40/1125257940.db2.gz CCELHGIWVQZZCN-LBPRGKRZSA-N 0 1 292.329 3.662 20 0 CHADMN C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H](CF)C1 ZINC000880237204 1125258017 /nfs/dbraw/zinc/25/80/17/1125258017.db2.gz SUGNHQIVPRTCLC-VXGBXAGGSA-N 0 1 262.328 3.570 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N1CCC[C@H](CF)C1 ZINC000880237204 1125258021 /nfs/dbraw/zinc/25/80/21/1125258021.db2.gz SUGNHQIVPRTCLC-VXGBXAGGSA-N 0 1 262.328 3.570 20 0 CHADMN FC[C@@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000880237077 1125259037 /nfs/dbraw/zinc/25/90/37/1125259037.db2.gz PPILGCFPBJTMLR-LBPRGKRZSA-N 0 1 257.299 3.806 20 0 CHADMN FC[C@@H]1CCN(Cc2ncc(-c3ccccc3)s2)C1 ZINC000880297437 1125263091 /nfs/dbraw/zinc/26/30/91/1125263091.db2.gz NYFMWEIJZLBXPO-LBPRGKRZSA-N 0 1 276.380 3.602 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CC[C@@H](c2nccs2)C1 ZINC000880317106 1125264786 /nfs/dbraw/zinc/26/47/86/1125264786.db2.gz PIFDTSZXMBJXQE-ZYHUDNBSSA-N 0 1 294.370 3.972 20 0 CHADMN Fc1c(Cl)cccc1CN1CC[C@@H](c2nccs2)C1 ZINC000880319312 1125265625 /nfs/dbraw/zinc/26/56/25/1125265625.db2.gz FHNLTJQACPSUDW-LLVKDONJSA-N 0 1 296.798 3.925 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N1CC[C@@H](c2nccs2)C1 ZINC000880319341 1125265661 /nfs/dbraw/zinc/26/56/61/1125265661.db2.gz FOPOKSZNFBAWRI-VXGBXAGGSA-N 0 1 299.399 3.835 20 0 CHADMN Cc1ccc(CN2C[C@@H]3CC[C@H]2c2ccccc23)nc1 ZINC000880538123 1125279094 /nfs/dbraw/zinc/27/90/94/1125279094.db2.gz JNORHCRMBJVTMV-KSSFIOAISA-N 0 1 264.372 3.824 20 0 CHADMN CC(C)CCc1noc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)n1 ZINC000475721378 1125280142 /nfs/dbraw/zinc/28/01/42/1125280142.db2.gz AGJCBQABXFRHLR-MGPQQGTHSA-N 0 1 279.428 3.525 20 0 CHADMN CC(C)CCc1noc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)n1 ZINC000475721377 1125280219 /nfs/dbraw/zinc/28/02/19/1125280219.db2.gz AGJCBQABXFRHLR-MCIONIFRSA-N 0 1 279.428 3.525 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1Cc1csnn1 ZINC000880593569 1125281709 /nfs/dbraw/zinc/28/17/09/1125281709.db2.gz DOYRKAJHGSQXBS-IUODEOHRSA-N 0 1 287.432 3.695 20 0 CHADMN C[C@@H](NCc1ccc(CO)cc1)c1csc(Cl)c1 ZINC000235190787 1125282428 /nfs/dbraw/zinc/28/24/28/1125282428.db2.gz KOIBNABXLMWMCM-SNVBAGLBSA-N 0 1 281.808 3.745 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)Nc2ccccc2F)o1 ZINC000055529245 1125292527 /nfs/dbraw/zinc/29/25/27/1125292527.db2.gz WJKLPNNRGJXQOC-UHFFFAOYSA-N 0 1 290.338 3.513 20 0 CHADMN c1ccc(Oc2ccc(-c3cc4c(nn3)CNC4)cc2)cc1 ZINC001239492473 1131346360 /nfs/dbraw/zinc/34/63/60/1131346360.db2.gz AXFQGISRLSUPGZ-UHFFFAOYSA-N 0 1 289.338 3.539 20 0 CHADMN CCCc1ccccc1NC(=O)c1cccc2cn[nH]c21 ZINC000024504683 1125309816 /nfs/dbraw/zinc/30/98/16/1125309816.db2.gz IOUDKXYWGFBSBJ-UHFFFAOYSA-N 0 1 279.343 3.768 20 0 CHADMN CC(C)N(C)c1ccc(CN[C@H]2CCCc3occc32)cn1 ZINC000190753953 1125318978 /nfs/dbraw/zinc/31/89/78/1125318978.db2.gz IRLORMVYGHAPFY-INIZCTEOSA-N 0 1 299.418 3.686 20 0 CHADMN CC(C)CCN(C(=O)c1cc(C(F)F)[nH]n1)C1CCCC1 ZINC000639923453 1125320644 /nfs/dbraw/zinc/32/06/44/1125320644.db2.gz WBIYUYOFUDZVSW-UHFFFAOYSA-N 0 1 299.365 3.778 20 0 CHADMN C[C@H](NC[C@@H]1CC[C@@H](C)O1)c1nc(C(C)(C)C)cs1 ZINC000191097660 1125322457 /nfs/dbraw/zinc/32/24/57/1125322457.db2.gz SNSVPBGMTMWDER-WOPDTQHZSA-N 0 1 282.453 3.659 20 0 CHADMN COC(=O)c1cc(CNCc2ccc(C3CC3)cc2)oc1C ZINC000191681852 1125327077 /nfs/dbraw/zinc/32/70/77/1125327077.db2.gz NWNBWRRLJWXLDD-UHFFFAOYSA-N 0 1 299.370 3.542 20 0 CHADMN c1ccc([C@H]2CCCCCN2Cc2ncccn2)cc1 ZINC000191950651 1125329580 /nfs/dbraw/zinc/32/95/80/1125329580.db2.gz OANRSPTXEIIAND-MRXNPFEDSA-N 0 1 267.376 3.594 20 0 CHADMN CC(C)(C)c1n[nH]c(SC[C@H]2CC(C)(C)OC2(C)C)n1 ZINC000882088324 1125335497 /nfs/dbraw/zinc/33/54/97/1125335497.db2.gz DZVODUVQKKZJPX-SNVBAGLBSA-N 0 1 297.468 3.788 20 0 CHADMN CC(C)(C)c1nc(SC[C@H]2CC(C)(C)OC2(C)C)n[nH]1 ZINC000882088324 1125335498 /nfs/dbraw/zinc/33/54/98/1125335498.db2.gz DZVODUVQKKZJPX-SNVBAGLBSA-N 0 1 297.468 3.788 20 0 CHADMN CCN(Cc1c(C)ccc2ccccc21)[C@@H](C)C(=O)OC ZINC001142388520 1125343335 /nfs/dbraw/zinc/34/33/35/1125343335.db2.gz YRXISXBLNVCNHV-AWEZNQCLSA-N 0 1 285.387 3.532 20 0 CHADMN Cc1nc([C@H](C)Sc2nc3cccc(F)c3s2)n[nH]1 ZINC000882344556 1125344233 /nfs/dbraw/zinc/34/42/33/1125344233.db2.gz AKMSQFWSGCWWQH-LURJTMIESA-N 0 1 294.380 3.715 20 0 CHADMN C[C@@H](NCc1cccs1)c1cnn(-c2ccccc2)c1 ZINC000129682657 1125347426 /nfs/dbraw/zinc/34/74/26/1125347426.db2.gz URYUSRXMRSKOPG-CYBMUJFWSA-N 0 1 283.400 3.785 20 0 CHADMN C[C@@H](NCc1ccsc1)c1cnn(-c2ccccc2)c1 ZINC000130074555 1125355462 /nfs/dbraw/zinc/35/54/62/1125355462.db2.gz RTIWQNJVYPXRCX-CYBMUJFWSA-N 0 1 283.400 3.785 20 0 CHADMN CCCN(CC(=O)OCC)[C@H](C)Cc1ccc(Cl)cc1 ZINC001168187134 1125360458 /nfs/dbraw/zinc/36/04/58/1125360458.db2.gz FOSSXGZZGAOLFF-CYBMUJFWSA-N 0 1 297.826 3.546 20 0 CHADMN CC(C)[C@@]1(C)C[C@@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000350305459 1125362539 /nfs/dbraw/zinc/36/25/39/1125362539.db2.gz ZELBPDOTDRGOPB-CZUORRHYSA-N 0 1 282.347 3.534 20 0 CHADMN COCOc1cnc(-c2ccccc2C)cc1/C=C/N(C)C ZINC001239502036 1131350687 /nfs/dbraw/zinc/35/06/87/1131350687.db2.gz AOEWWBARZHCJLM-MDZDMXLPSA-N 0 1 298.386 3.572 20 0 CHADMN CC(C)c1c[nH]c(CNC[C@@H](C)Sc2ccccc2)n1 ZINC000883020295 1125368263 /nfs/dbraw/zinc/36/82/63/1125368263.db2.gz XUJJQRUVIMOJSC-CYBMUJFWSA-N 0 1 289.448 3.804 20 0 CHADMN C[C@@H](NCc1c(F)cccc1Cl)[C@H]1CC1(F)F ZINC000666445721 1125370064 /nfs/dbraw/zinc/37/00/64/1125370064.db2.gz XJICMUSYBFEFJH-VXNVDRBHSA-N 0 1 263.690 3.612 20 0 CHADMN CC(C)c1c[nH]c(CN[C@H]2c3ccccc3CC[C@@H]2C)n1 ZINC000883078113 1125370906 /nfs/dbraw/zinc/37/09/06/1125370906.db2.gz HROQANZFIVOXIE-SCLBCKFNSA-N 0 1 283.419 3.946 20 0 CHADMN CC[C@H](NCc1c(C)nn(C)c1C)c1sccc1Cl ZINC000883183196 1125375352 /nfs/dbraw/zinc/37/53/52/1125375352.db2.gz VKGDHXJLBRKULF-ZDUSSCGKSA-N 0 1 297.855 3.993 20 0 CHADMN CC[C@@H](NCc1cnn(C)c1C)c1sccc1Cl ZINC000883208180 1125377765 /nfs/dbraw/zinc/37/77/65/1125377765.db2.gz APNBAUIZHCOARB-GFCCVEGCSA-N 0 1 283.828 3.684 20 0 CHADMN CCSc1ccc(CNCc2occc2C)cc1 ZINC000883236220 1125382247 /nfs/dbraw/zinc/38/22/47/1125382247.db2.gz WHPJJSASHKBIFJ-UHFFFAOYSA-N 0 1 261.390 3.990 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccnn1C)c1sccc1Cl ZINC000883243755 1125382697 /nfs/dbraw/zinc/38/26/97/1125382697.db2.gz WSCLSDFUGMXZOA-MWLCHTKSSA-N 0 1 283.828 3.937 20 0 CHADMN Cc1ccc(F)cc1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000104199943 1125383264 /nfs/dbraw/zinc/38/32/64/1125383264.db2.gz XKHQGKRUEPEDJW-INIZCTEOSA-N 0 1 292.398 3.583 20 0 CHADMN Cn1c(Cl)cnc1CN[C@H](c1ccccc1)C1CCC1 ZINC000170919531 1125390582 /nfs/dbraw/zinc/39/05/82/1125390582.db2.gz LLJHNKXPTVMLEV-MRXNPFEDSA-N 0 1 289.810 3.705 20 0 CHADMN CCc1cccc(CNCc2ccc(C)nc2Cl)c1 ZINC000883293270 1125392372 /nfs/dbraw/zinc/39/23/72/1125392372.db2.gz OFWWDLHCMAZYKS-UHFFFAOYSA-N 0 1 274.795 3.896 20 0 CHADMN C[C@H](CCc1cccc(F)c1)NC1(c2ncccn2)CCC1 ZINC000883313677 1125393386 /nfs/dbraw/zinc/39/33/86/1125393386.db2.gz JWISDJUPFJPTBS-CQSZACIVSA-N 0 1 299.393 3.606 20 0 CHADMN Cc1nc2c(n1Cc1cccc(Cl)c1F)CCCC2 ZINC000228354869 1125393585 /nfs/dbraw/zinc/39/35/85/1125393585.db2.gz DOWFLBOJYDNAJP-UHFFFAOYSA-N 0 1 278.758 3.911 20 0 CHADMN Cc1ccc(CC[C@@H](C)NC2(c3ncccn3)CCC2)cc1 ZINC000883313929 1125394376 /nfs/dbraw/zinc/39/43/76/1125394376.db2.gz QHZPZFACDBJUOV-MRXNPFEDSA-N 0 1 295.430 3.775 20 0 CHADMN CCCO[C@H]1CCC[N@@H+](Cc2cccnc2Cl)CC1 ZINC000170989321 1125397607 /nfs/dbraw/zinc/39/76/07/1125397607.db2.gz JKCCORAHDYUWPT-AWEZNQCLSA-N 0 1 282.815 3.516 20 0 CHADMN CCCO[C@H]1CCCN(Cc2cccnc2Cl)CC1 ZINC000170989321 1125397610 /nfs/dbraw/zinc/39/76/10/1125397610.db2.gz JKCCORAHDYUWPT-AWEZNQCLSA-N 0 1 282.815 3.516 20 0 CHADMN CSCCN1CCC[C@H]1c1nc2ccccc2s1 ZINC000171036296 1125399245 /nfs/dbraw/zinc/39/92/45/1125399245.db2.gz AWHKXAIHPKGTIK-LBPRGKRZSA-N 0 1 278.446 3.796 20 0 CHADMN Cc1cn[nH]c1CNc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000883369177 1125403155 /nfs/dbraw/zinc/40/31/55/1125403155.db2.gz LGSSZVDTGHBUBJ-GFCCVEGCSA-N 0 1 287.260 3.903 20 0 CHADMN Cc1[nH]ncc1CNc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000883369261 1125403227 /nfs/dbraw/zinc/40/32/27/1125403227.db2.gz NBNAHSKFSQSDDC-GFCCVEGCSA-N 0 1 287.260 3.903 20 0 CHADMN CC[C@H](NCc1ccoc1C)c1cccc(OC)c1OC ZINC000631264790 1125403862 /nfs/dbraw/zinc/40/38/62/1125403862.db2.gz OTZSCJVDALAHAT-HNNXBMFYSA-N 0 1 289.375 3.846 20 0 CHADMN CC1(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)CC1 ZINC000151768659 1125405841 /nfs/dbraw/zinc/40/58/41/1125405841.db2.gz LHRUSQQNDCVLPD-UHFFFAOYSA-N 0 1 269.348 3.569 20 0 CHADMN CCCCN(Cc1nc2cc(F)ccc2n1CC)C1CC1 ZINC000532476886 1125406398 /nfs/dbraw/zinc/40/63/98/1125406398.db2.gz OYWSWQKTYBZLAA-UHFFFAOYSA-N 0 1 289.398 3.960 20 0 CHADMN Cc1nc(C[N@@H+]2CCC[C@H]2C(C)C)nc2ccccc12 ZINC000532485897 1125406806 /nfs/dbraw/zinc/40/68/06/1125406806.db2.gz GQSFQSKWZXJVBU-INIZCTEOSA-N 0 1 269.392 3.559 20 0 CHADMN CC(C)Oc1ccc(CN(C)Cc2cccc(O)c2)cc1 ZINC000532501806 1125407867 /nfs/dbraw/zinc/40/78/67/1125407867.db2.gz ADGZXGVPTCDYLS-UHFFFAOYSA-N 0 1 285.387 3.811 20 0 CHADMN COc1cc2c(cc1CN(C)Cc1ccccc1)O[C@@H](C)C2 ZINC000532497418 1125408662 /nfs/dbraw/zinc/40/86/62/1125408662.db2.gz FHWFORVQVAWNSM-AWEZNQCLSA-N 0 1 297.398 3.651 20 0 CHADMN CC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000030141860 1125417656 /nfs/dbraw/zinc/41/76/56/1125417656.db2.gz OERHYCXPDPHBJO-INIZCTEOSA-N 0 1 288.435 3.672 20 0 CHADMN CC[C@H]1CCCN(CC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000030141860 1125417657 /nfs/dbraw/zinc/41/76/57/1125417657.db2.gz OERHYCXPDPHBJO-INIZCTEOSA-N 0 1 288.435 3.672 20 0 CHADMN CO[C@]1(C)CCCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000348232502 1125423143 /nfs/dbraw/zinc/42/31/43/1125423143.db2.gz QCNXWFMVRCJPRA-XHDPSFHLSA-N 0 1 269.335 3.527 20 0 CHADMN Cc1nnc(CN2CCCCC[C@H]2c2cccc(C)c2)n1C ZINC000117897818 1125425186 /nfs/dbraw/zinc/42/51/86/1125425186.db2.gz PVAAIVRTVUUXEG-KRWDZBQOSA-N 0 1 298.434 3.549 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN(C)[C@H](C)CC ZINC000037641750 1125428337 /nfs/dbraw/zinc/42/83/37/1125428337.db2.gz KABUBUCTOIKUBT-GFCCVEGCSA-N 0 1 263.381 3.518 20 0 CHADMN Cc1ccc(CN(Cc2ccccc2)C2CC2)nc1 ZINC000123541288 1125431038 /nfs/dbraw/zinc/43/10/38/1125431038.db2.gz FROVZUMFAILUTR-UHFFFAOYSA-N 0 1 252.361 3.555 20 0 CHADMN COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C)o2)c1 ZINC000124224050 1125434946 /nfs/dbraw/zinc/43/49/46/1125434946.db2.gz BTSSJFIEZCQZIC-QGZVFWFLSA-N 0 1 271.360 3.934 20 0 CHADMN C[C@@H](CF)NCc1cc(Cl)cc(Br)c1 ZINC001202587330 1125439309 /nfs/dbraw/zinc/43/93/09/1125439309.db2.gz JFNFHZCVDGCDEH-ZETCQYMHSA-N 0 1 280.568 3.550 20 0 CHADMN C[C@@H](NCCn1cccn1)c1ccc(Cl)cc1Cl ZINC000042538822 1125441685 /nfs/dbraw/zinc/44/16/85/1125441685.db2.gz NVQSOSAULCOBQL-SNVBAGLBSA-N 0 1 284.190 3.541 20 0 CHADMN Cc1ccc(O)c(CN(C)[C@H](C)c2ccc(F)c(F)c2)n1 ZINC000124929920 1125442729 /nfs/dbraw/zinc/44/27/29/1125442729.db2.gz DZRIFDBBEBIRCA-LLVKDONJSA-N 0 1 292.329 3.567 20 0 CHADMN CC(C)c1nnc(CNC[C@H]2C[C@@H]2c2ccccc2)s1 ZINC000348254933 1125443548 /nfs/dbraw/zinc/44/35/48/1125443548.db2.gz GHGROGSKIVEJIU-ZIAGYGMSSA-N 0 1 287.432 3.555 20 0 CHADMN C[S@](=O)c1ccc(CN(Cc2ccccc2)C2CC2)cc1 ZINC000125436615 1125449243 /nfs/dbraw/zinc/44/92/43/1125449243.db2.gz CLJFMALRZNFZLI-OAQYLSRUSA-N 0 1 299.439 3.589 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2nccnc2C)o1 ZINC000621719786 1129185300 /nfs/dbraw/zinc/18/53/00/1129185300.db2.gz WOAXPZGSEJGZFF-LRDDRELGSA-N 0 1 285.391 3.660 20 0 CHADMN Cc1nccnc1C[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000621718487 1129186173 /nfs/dbraw/zinc/18/61/73/1129186173.db2.gz JUTGUZKCTJSORI-IBGZPJMESA-N 0 1 295.430 3.630 20 0 CHADMN CCCc1ccc(CN2CC[C@H](OC(F)F)C2)s1 ZINC000621726407 1129187190 /nfs/dbraw/zinc/18/71/90/1129187190.db2.gz VUTKPFNMDDAMRP-JTQLQIEISA-N 0 1 275.364 3.514 20 0 CHADMN Cc1oc2ccc(NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)cc2c1C ZINC000635814312 1129191499 /nfs/dbraw/zinc/19/14/99/1129191499.db2.gz KZEXDHLVSPFVJD-ZIAGYGMSSA-N 0 1 295.342 3.515 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C1CCC=CCC1 ZINC000635845889 1129192106 /nfs/dbraw/zinc/19/21/06/1129192106.db2.gz QPIROJNSJATJRX-UHFFFAOYSA-N 0 1 269.348 3.556 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(F)c1O ZINC001124630847 1131356970 /nfs/dbraw/zinc/35/69/70/1131356970.db2.gz FIYXBTKEIJAKSZ-JTQLQIEISA-N 0 1 291.297 3.504 20 0 CHADMN Cc1nnsc1CN[C@H]1CC[C@H](C)c2ccccc21 ZINC000293694624 1129196182 /nfs/dbraw/zinc/19/61/82/1129196182.db2.gz OAWORTPHUFJIIO-HZMBPMFUSA-N 0 1 273.405 3.575 20 0 CHADMN CCC[C@@H](CC1CCCC1)C(=O)N(C)Cc1cn[nH]c1C ZINC000636067039 1129198199 /nfs/dbraw/zinc/19/81/99/1129198199.db2.gz LFOWHBQFWZXITB-HNNXBMFYSA-N 0 1 291.439 3.673 20 0 CHADMN Cc1cc(N2CCC(F)(F)CC2)c2cc(F)ccc2n1 ZINC000795272934 1129207687 /nfs/dbraw/zinc/20/76/87/1129207687.db2.gz SYTKPEZHTMXLMW-UHFFFAOYSA-N 0 1 280.293 3.918 20 0 CHADMN CCCc1ccc([C@@H](C)NCc2snnc2C)cc1 ZINC000293734308 1129212250 /nfs/dbraw/zinc/21/22/50/1129212250.db2.gz QHMJIULEHYSLSE-LLVKDONJSA-N 0 1 275.421 3.650 20 0 CHADMN COc1cncc(C[N@H+]2CCC[C@@H]2c2cccs2)c1C ZINC000637865758 1129232519 /nfs/dbraw/zinc/23/25/19/1129232519.db2.gz FFABYAITPQDBJI-CQSZACIVSA-N 0 1 288.416 3.797 20 0 CHADMN COc1cncc(CN2CCC[C@@H]2c2cccs2)c1C ZINC000637865758 1129232520 /nfs/dbraw/zinc/23/25/20/1129232520.db2.gz FFABYAITPQDBJI-CQSZACIVSA-N 0 1 288.416 3.797 20 0 CHADMN CN(Cc1ccns1)[C@@H]1CCCc2ccccc21 ZINC000637868510 1129233289 /nfs/dbraw/zinc/23/32/89/1129233289.db2.gz OBBGKFQETIOAKS-OAHLLOKOSA-N 0 1 258.390 3.653 20 0 CHADMN CN([C@H](c1nccn1C)C1CC1)[C@H]1CCCc2ccccc21 ZINC000637869399 1129233298 /nfs/dbraw/zinc/23/32/98/1129233298.db2.gz VEMMFKORJOZETB-ROUUACIJSA-N 0 1 295.430 3.881 20 0 CHADMN Cc1ccccc1[C@@H](C)N(C)[C@@H](c1nccn1C)C1CC1 ZINC000637901399 1129235557 /nfs/dbraw/zinc/23/55/57/1129235557.db2.gz CPVXGFDBDIJKEN-RHSMWYFYSA-N 0 1 283.419 3.873 20 0 CHADMN Cc1ncsc1CN(C)Cc1csc(C)c1C ZINC000638022341 1129240566 /nfs/dbraw/zinc/24/05/66/1129240566.db2.gz QHJAFBONKXQLMU-UHFFFAOYSA-N 0 1 266.435 3.762 20 0 CHADMN Cc1cccc([C@H]2CCCN2[C@@H](C)c2cnc(C)nc2C)n1 ZINC000638087640 1129242145 /nfs/dbraw/zinc/24/21/45/1129242145.db2.gz CWXKVPJOHBDKFE-KBXCAEBGSA-N 0 1 296.418 3.695 20 0 CHADMN Clc1ccc([C@H]2CCN2CCC[C@@H]2CCO2)cc1 ZINC000638124746 1129245372 /nfs/dbraw/zinc/24/53/72/1129245372.db2.gz UYQWPDAWDCSVRH-HUUCEWRRSA-N 0 1 265.784 3.656 20 0 CHADMN Cc1ncc([C@@H](C)N2CCCC[C@H]2c2cccn2C)c(C)n1 ZINC000638151533 1129246344 /nfs/dbraw/zinc/24/63/44/1129246344.db2.gz FKDBFYUMCXENEM-KDOFPFPSSA-N 0 1 298.434 3.720 20 0 CHADMN CCc1nc(C)c(CNCc2cccc(C3CC3)c2)o1 ZINC000336830198 1129249455 /nfs/dbraw/zinc/24/94/55/1129249455.db2.gz FVVBCPFRILFRTB-UHFFFAOYSA-N 0 1 270.376 3.713 20 0 CHADMN CC(C)C(CNc1cnn(-c2ccncc2)c1)C(C)C ZINC000671190313 1129250126 /nfs/dbraw/zinc/25/01/26/1129250126.db2.gz ZUTXVSAQKKBAPK-UHFFFAOYSA-N 0 1 272.396 3.607 20 0 CHADMN Cc1cc(CNCc2ccccc2COC(C)C)sn1 ZINC000638327048 1129254426 /nfs/dbraw/zinc/25/44/26/1129254426.db2.gz QVUZHKKJIUMBMQ-UHFFFAOYSA-N 0 1 290.432 3.666 20 0 CHADMN CCCCOc1cccc(CNCc2ccns2)c1 ZINC000638377470 1129256182 /nfs/dbraw/zinc/25/61/82/1129256182.db2.gz VDBQVRCYPCWDCL-UHFFFAOYSA-N 0 1 276.405 3.612 20 0 CHADMN COc1cc(CN[C@H]2CCc3c2cccc3Cl)sn1 ZINC000638428101 1129258767 /nfs/dbraw/zinc/25/87/67/1129258767.db2.gz YXNHOECDXWDGRC-ZDUSSCGKSA-N 0 1 294.807 3.582 20 0 CHADMN Cc1cc(CNC2(c3ccccc3)CCC2)sn1 ZINC000638457154 1129259539 /nfs/dbraw/zinc/25/95/39/1129259539.db2.gz QMIHETPFNZICOA-UHFFFAOYSA-N 0 1 258.390 3.621 20 0 CHADMN Cc1ccc(N[C@@H](c2nnc[nH]2)C2CCCCC2)c(C)n1 ZINC000638787622 1129270735 /nfs/dbraw/zinc/27/07/35/1129270735.db2.gz YKYMSBDAEYLEKD-OAHLLOKOSA-N 0 1 285.395 3.550 20 0 CHADMN CCc1nc([C@H](C)NCc2ccc(F)c3ccccc23)n[nH]1 ZINC000638822986 1129271899 /nfs/dbraw/zinc/27/18/99/1129271899.db2.gz NHTFQSVSKSVQBY-NSHDSACASA-N 0 1 298.365 3.510 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)[nH]1 ZINC000282576325 1129273060 /nfs/dbraw/zinc/27/30/60/1129273060.db2.gz AEYVEWQPWBCYFH-KFNAQCHYSA-N 0 1 297.402 3.665 20 0 CHADMN OC[C@@H](NCc1cccc(C(F)F)c1)c1ccsc1 ZINC000348025805 1129274465 /nfs/dbraw/zinc/27/44/65/1129274465.db2.gz CXFONNVYLZEQAT-CYBMUJFWSA-N 0 1 283.343 3.509 20 0 CHADMN CO[C@H]1CC=C(Nc2scnc2C2CC2)CC1 ZINC001212878357 1129277309 /nfs/dbraw/zinc/27/73/09/1129277309.db2.gz LJXVDQMNBXUZAK-NSHDSACASA-N 0 1 250.367 3.515 20 0 CHADMN Cc1cccc(NC(=O)CN2C[C@@H]3CCCC[C@@]32C)c1C ZINC000626104949 1129281484 /nfs/dbraw/zinc/28/14/84/1129281484.db2.gz MEQCZKVDWLDLEO-YJBOKZPZSA-N 0 1 286.419 3.506 20 0 CHADMN Brc1ccc(CN2CCC3(CCCC3)C2)o1 ZINC000378921961 1129285073 /nfs/dbraw/zinc/28/50/73/1129285073.db2.gz PSRYTLXARNZZRD-UHFFFAOYSA-N 0 1 284.197 3.808 20 0 CHADMN Cc1cnc(CN[C@H]2C[C@H](c3ccccc3Cl)C2)o1 ZINC000639213606 1129293237 /nfs/dbraw/zinc/29/32/37/1129293237.db2.gz NXSZJBWVOLHADI-HAQNSBGRSA-N 0 1 276.767 3.672 20 0 CHADMN Fc1ccc2oc(CN3C[C@@H](C4CC4)[C@@H]3C3CC3)nc2c1 ZINC000639232747 1129294756 /nfs/dbraw/zinc/29/47/56/1129294756.db2.gz OINRQEBXQILEIY-GUYCJALGSA-N 0 1 286.350 3.587 20 0 CHADMN CC1CCC(=CC(=O)Nc2ccc3nc[nH]c3c2)CC1 ZINC000734124956 1129295630 /nfs/dbraw/zinc/29/56/30/1129295630.db2.gz VZTVSXBGIZPDIN-UHFFFAOYSA-N 0 1 269.348 3.638 20 0 CHADMN Cc1ncc([C@H](C)N2CCSC3(CCC3)CC2)c(C)n1 ZINC000639261861 1129298066 /nfs/dbraw/zinc/29/80/66/1129298066.db2.gz SOSXIMDYMSAHEV-ZDUSSCGKSA-N 0 1 291.464 3.516 20 0 CHADMN Cc1ccc(CC2CN(Cc3cc(C4CC4)no3)C2)cc1 ZINC000639316316 1129301228 /nfs/dbraw/zinc/30/12/28/1129301228.db2.gz HYRRDKOKMYGUQQ-UHFFFAOYSA-N 0 1 282.387 3.535 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](c1nccn1C)C1CC1)[C@H](C)C2 ZINC000639322064 1129302721 /nfs/dbraw/zinc/30/27/21/1129302721.db2.gz SOUVXXREOICSKU-BVGQSLNGSA-N 0 1 295.430 3.703 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](c1nccn1C)C1CC1)[C@H](C)C2 ZINC000639322065 1129302884 /nfs/dbraw/zinc/30/28/84/1129302884.db2.gz SOUVXXREOICSKU-JEBQAFNWSA-N 0 1 295.430 3.703 20 0 CHADMN CC[C@](C)(NCc1cc(OC)ns1)c1ccc(F)cc1 ZINC000639359378 1129306149 /nfs/dbraw/zinc/30/61/49/1129306149.db2.gz LWYJPASMKMKVNR-HNNXBMFYSA-N 0 1 294.395 3.706 20 0 CHADMN CC[C@](C)(NCc1cccnc1OC)c1ccc(F)cc1 ZINC000639358903 1129306503 /nfs/dbraw/zinc/30/65/03/1129306503.db2.gz DRFJZHWZBFHMMU-KRWDZBQOSA-N 0 1 288.366 3.644 20 0 CHADMN CC[C@@](C)(NCc1ccns1)c1ccc(F)cc1 ZINC000639359196 1129306966 /nfs/dbraw/zinc/30/69/66/1129306966.db2.gz IUPJSJMYPSNSMX-CQSZACIVSA-N 0 1 264.369 3.697 20 0 CHADMN COCC1(C2CC2)CN(Cc2ccc(C)c(Cl)c2)C1 ZINC000639383198 1129308922 /nfs/dbraw/zinc/30/89/22/1129308922.db2.gz UMQBAFHSAVVNHI-UHFFFAOYSA-N 0 1 279.811 3.507 20 0 CHADMN Cc1cc(C)c(CN(C)[C@H](C)c2cccc(O)c2)c(C)n1 ZINC000639531425 1129321695 /nfs/dbraw/zinc/32/16/95/1129321695.db2.gz DQHLBCQLYNRZHG-OAHLLOKOSA-N 0 1 284.403 3.905 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3Cc3ccns3)[nH]c2c1 ZINC000639647516 1129327939 /nfs/dbraw/zinc/32/79/39/1129327939.db2.gz OVWWTBVEAWJRCT-OAHLLOKOSA-N 0 1 298.415 3.665 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N1CCN(CC2CC2)CC1 ZINC000735036742 1129329137 /nfs/dbraw/zinc/32/91/37/1129329137.db2.gz IGOUXPAGCXIMLC-KRWDZBQOSA-N 0 1 294.483 3.537 20 0 CHADMN CCCCCC[C@@H](CC)C(=O)N1CCN(CC2CC2)CC1 ZINC000735036745 1129329284 /nfs/dbraw/zinc/32/92/84/1129329284.db2.gz IGOUXPAGCXIMLC-QGZVFWFLSA-N 0 1 294.483 3.537 20 0 CHADMN CC[C@H](OCC[N@H+]1CCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000639777137 1129333517 /nfs/dbraw/zinc/33/35/17/1129333517.db2.gz SPKGLVUIMFOWIT-ROUUACIJSA-N 0 1 299.418 3.715 20 0 CHADMN C[C@@H]1C[C@@H](NCc2nc3c(s2)CCC3)c2ccccc21 ZINC000719557089 1129344575 /nfs/dbraw/zinc/34/45/75/1129344575.db2.gz BCKLTIHAQWBMIG-IAQYHMDHSA-N 0 1 284.428 3.970 20 0 CHADMN C[C@@]1(C2CCCCC2)CCN1Cc1nccs1 ZINC000640220514 1129351843 /nfs/dbraw/zinc/35/18/43/1129351843.db2.gz URJQXDOOJZZDIS-AWEZNQCLSA-N 0 1 250.411 3.688 20 0 CHADMN CCCCC[C@H](CC)N1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001258435361 1129353175 /nfs/dbraw/zinc/35/31/75/1129353175.db2.gz KPDTZHPOIGKZDY-XQQFMLRXSA-N 0 1 299.352 3.683 20 0 CHADMN CCCCCCN(C)CC(=O)N(C)c1ccc(C)c(C)c1 ZINC000735651823 1129355484 /nfs/dbraw/zinc/35/54/84/1129355484.db2.gz VSMJUMQEBCNASN-UHFFFAOYSA-N 0 1 290.451 3.778 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N(C)C[C@@H](C)C(C)(C)C ZINC000640349524 1129356056 /nfs/dbraw/zinc/35/60/56/1129356056.db2.gz DDCPDYWDNLBINX-GHMZBOCLSA-N 0 1 265.401 3.622 20 0 CHADMN Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cc2ccccc2o1 ZINC000178496590 1129359515 /nfs/dbraw/zinc/35/95/15/1129359515.db2.gz HOVPJESEKJYMOI-INIZCTEOSA-N 0 1 295.386 3.676 20 0 CHADMN CN(Cc1cc2ccccc2o1)[C@H]1CCCc2c1cnn2C ZINC000178496590 1129359519 /nfs/dbraw/zinc/35/95/19/1129359519.db2.gz HOVPJESEKJYMOI-INIZCTEOSA-N 0 1 295.386 3.676 20 0 CHADMN CC(C)c1cnc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)o1 ZINC000735872013 1129359672 /nfs/dbraw/zinc/35/96/72/1129359672.db2.gz TWUADXDDIAYVSF-MCIONIFRSA-N 0 1 262.397 3.951 20 0 CHADMN CCc1n[nH]cc1-c1nc(-c2cccc(Cl)c2C)no1 ZINC001212885544 1129360492 /nfs/dbraw/zinc/36/04/92/1129360492.db2.gz MRMAIUIGRFBWML-UHFFFAOYSA-N 0 1 288.738 3.651 20 0 CHADMN O=C(c1cc(C(F)F)[nH]n1)N1CCCC[C@H]1CC1CCC1 ZINC000640710334 1129365360 /nfs/dbraw/zinc/36/53/60/1129365360.db2.gz LVFKESRIBQCYBH-NSHDSACASA-N 0 1 297.349 3.532 20 0 CHADMN C[C@@H](N[C@H]1CCCc2cccnc21)c1cccc(F)c1 ZINC000091660414 1129367878 /nfs/dbraw/zinc/36/78/78/1129367878.db2.gz NWLHUHILILZDJD-WBMJQRKESA-N 0 1 270.351 3.949 20 0 CHADMN C[C@@H]1CN(Cn2cc[nH]c2=S)CC[C@H]1c1ccccc1 ZINC000247421478 1129369634 /nfs/dbraw/zinc/36/96/34/1129369634.db2.gz KPFRFBYPRRRZLO-UKRRQHHQSA-N 0 1 287.432 3.629 20 0 CHADMN CC(C)(C)[C@@H](NCc1ccc(CO)o1)c1cccc(F)c1 ZINC000178614588 1129370499 /nfs/dbraw/zinc/37/04/99/1129370499.db2.gz OYXYYZPRYBAOCQ-INIZCTEOSA-N 0 1 291.366 3.788 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cc2c(s1)CCC2 ZINC000178872557 1129381778 /nfs/dbraw/zinc/38/17/78/1129381778.db2.gz GLOJIKHRXKLCTR-UHFFFAOYSA-N 0 1 293.775 3.848 20 0 CHADMN CCSc1ccc([C@H](C)NCc2ccncc2N)cc1 ZINC000641715392 1129388750 /nfs/dbraw/zinc/38/87/50/1129388750.db2.gz KBZZEBRARJRKFM-LBPRGKRZSA-N 0 1 287.432 3.627 20 0 CHADMN CC(C)[C@@H](NCc1ccncc1N)c1ccccc1Cl ZINC000641724087 1129388918 /nfs/dbraw/zinc/38/89/18/1129388918.db2.gz BXAIYOAYUAJTHP-MRXNPFEDSA-N 0 1 289.810 3.804 20 0 CHADMN CCCNc1ccc(CNCc2ccc3c(n2)CCC3)cc1 ZINC000641750486 1129389296 /nfs/dbraw/zinc/38/92/96/1129389296.db2.gz JXINWPYLFFQJQZ-UHFFFAOYSA-N 0 1 295.430 3.682 20 0 CHADMN CCN(Cn1c2ccccc2oc1=S)C1CCC1 ZINC000738056579 1129389637 /nfs/dbraw/zinc/38/96/37/1129389637.db2.gz PGMRENOFSINHLA-UHFFFAOYSA-N 0 1 262.378 3.796 20 0 CHADMN C[C@H]1CCCCCN1Cn1c2ccccc2n(C)c1=S ZINC000738221028 1129390625 /nfs/dbraw/zinc/39/06/25/1129390625.db2.gz BGASMAURVPWWJY-ZDUSSCGKSA-N 0 1 289.448 3.931 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2c(C)cccc2C)no1 ZINC000738300466 1129391744 /nfs/dbraw/zinc/39/17/44/1129391744.db2.gz VNHVLVNOMPBDLB-KRWDZBQOSA-N 0 1 270.376 3.937 20 0 CHADMN CCOc1ccc([C@@H]2C[C@H]2NCc2nccn2C(C)C)cc1 ZINC000641790921 1129392155 /nfs/dbraw/zinc/39/21/55/1129392155.db2.gz XRQGFQGKEMPFIB-DLBZAZTESA-N 0 1 299.418 3.508 20 0 CHADMN COc1cccc2cc(CN(C)Cc3ccoc3C)oc21 ZINC000092438541 1129394220 /nfs/dbraw/zinc/39/42/20/1129394220.db2.gz ICIPBFJUVXWPPG-UHFFFAOYSA-N 0 1 285.343 3.975 20 0 CHADMN CCCC[C@@H](C)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000641842407 1129394822 /nfs/dbraw/zinc/39/48/22/1129394822.db2.gz RPTJJFVAQYIOLJ-CYBMUJFWSA-N 0 1 285.391 3.727 20 0 CHADMN C[C@H](c1ccccc1)N1CCO[C@@H](c2ccccc2)C1 ZINC000641959462 1129398434 /nfs/dbraw/zinc/39/84/34/1129398434.db2.gz FSZAGRFVAMJNAL-CRAIPNDOSA-N 0 1 267.372 3.821 20 0 CHADMN C[C@@H](c1ccccc1)N1CCO[C@@H](c2ccccc2)C1 ZINC000641959463 1129398629 /nfs/dbraw/zinc/39/86/29/1129398629.db2.gz FSZAGRFVAMJNAL-MAUKXSAKSA-N 0 1 267.372 3.821 20 0 CHADMN CCN(Cc1ccc(C)cc1)C(=O)c1[nH]nc2ccccc21 ZINC000642035376 1129401979 /nfs/dbraw/zinc/40/19/79/1129401979.db2.gz FAYIBKBJLWCQHJ-UHFFFAOYSA-N 0 1 293.370 3.534 20 0 CHADMN CCOC(=O)c1cc2cc(-c3cccc(F)c3)cnc2[nH]1 ZINC001239536110 1131372082 /nfs/dbraw/zinc/37/20/82/1131372082.db2.gz DDDYCCSQVOTSCD-UHFFFAOYSA-N 0 1 284.290 3.546 20 0 CHADMN c1nnc(-c2ccccc2OCCC2=CCCCC2)[nH]1 ZINC000642221904 1129410186 /nfs/dbraw/zinc/41/01/86/1129410186.db2.gz YZLMWIPNJMDZJE-UHFFFAOYSA-N 0 1 269.348 3.741 20 0 CHADMN COc1cc(F)cc(-c2cc3[nH]cnc3cc2C)c1 ZINC001241029466 1129410668 /nfs/dbraw/zinc/41/06/68/1129410668.db2.gz GWLGRNPMLRCFBG-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CC[C@@H]1CCCN([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000642330227 1129414454 /nfs/dbraw/zinc/41/44/54/1129414454.db2.gz BBVZPBTYAQDDCG-VXGBXAGGSA-N 0 1 291.420 3.981 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cs1 ZINC000093097062 1129416399 /nfs/dbraw/zinc/41/63/99/1129416399.db2.gz SIGDUQKDBPIHSP-NSHDSACASA-N 0 1 287.812 3.621 20 0 CHADMN CN(Cc1ccccc1O)Cc1cccc(F)c1Cl ZINC000093193199 1129418324 /nfs/dbraw/zinc/41/83/24/1129418324.db2.gz PALWHHPNYCTGSL-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN CCOc1ccc(F)c(-c2ccc3cncn3c2)c1F ZINC001241059716 1129419568 /nfs/dbraw/zinc/41/95/68/1129419568.db2.gz BYVNJOMSPYOWJB-UHFFFAOYSA-N 0 1 274.270 3.678 20 0 CHADMN CCCCc1nc(CN(CC)CC(C)C)cs1 ZINC000642526633 1129419905 /nfs/dbraw/zinc/41/99/05/1129419905.db2.gz AHZYNACNBKHQJC-UHFFFAOYSA-N 0 1 254.443 3.964 20 0 CHADMN CC[C@H](OC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC000741030174 1129426456 /nfs/dbraw/zinc/42/64/56/1129426456.db2.gz DOHYPVTVKMMRET-WBVHZDCISA-N 0 1 289.419 3.945 20 0 CHADMN C[C@@H](COC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC000741030230 1129426556 /nfs/dbraw/zinc/42/65/56/1129426556.db2.gz VLASWGHWICVZPD-JKSUJKDBSA-N 0 1 289.419 3.598 20 0 CHADMN Cc1n[nH]c(C2CC2)c1-c1nc(-c2cccc(C)c2F)no1 ZINC001212958668 1129427713 /nfs/dbraw/zinc/42/77/13/1129427713.db2.gz GFCYXRRDZUBVDK-UHFFFAOYSA-N 0 1 298.321 3.760 20 0 CHADMN CCc1nc2c(s1)[C@@H](N(C)Cc1ccoc1)CCC2 ZINC000093768019 1129427746 /nfs/dbraw/zinc/42/77/46/1129427746.db2.gz BOQMPLHDBSMYQN-ZDUSSCGKSA-N 0 1 276.405 3.808 20 0 CHADMN Cc1n[nH]c(C2CC2)c1-c1nc(-c2ccc(C)c(F)c2)no1 ZINC001212959162 1129430217 /nfs/dbraw/zinc/43/02/17/1129430217.db2.gz VYIQUYGUPCWVAZ-UHFFFAOYSA-N 0 1 298.321 3.760 20 0 CHADMN CCc1nn(C)cc1CN(C)[C@H](C)c1cc2ccccc2o1 ZINC000179665430 1129430820 /nfs/dbraw/zinc/43/08/20/1129430820.db2.gz BFEPFUFWUPJBJO-CYBMUJFWSA-N 0 1 297.402 3.922 20 0 CHADMN CCc1nn(C)cc1CN(C)Cc1csc2ccccc12 ZINC000179672645 1129431184 /nfs/dbraw/zinc/43/11/84/1129431184.db2.gz LVNCFUVMPRLGBX-UHFFFAOYSA-N 0 1 299.443 3.829 20 0 CHADMN Cc1n[nH]c(C2CC2)c1-c1nc(-c2cccc(C)c2)no1 ZINC001212959434 1129431330 /nfs/dbraw/zinc/43/13/30/1129431330.db2.gz KDYPHAPBSAQUDR-UHFFFAOYSA-N 0 1 280.331 3.621 20 0 CHADMN C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CN2CCSC2=O)C1 ZINC000795700262 1129431364 /nfs/dbraw/zinc/43/13/64/1129431364.db2.gz IJTILKOYOOPINA-HIFRSBDPSA-N 0 1 290.432 3.586 20 0 CHADMN C[C@@H]1CC[C@@H](c2ccccc2)N(CN2CCSC2=O)C1 ZINC000795700262 1129431365 /nfs/dbraw/zinc/43/13/65/1129431365.db2.gz IJTILKOYOOPINA-HIFRSBDPSA-N 0 1 290.432 3.586 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1ccc(C(F)(F)F)cc1 ZINC000180025768 1129446063 /nfs/dbraw/zinc/44/60/63/1129446063.db2.gz OVFVXUPGTGHYGA-SECBINFHSA-N 0 1 283.297 3.588 20 0 CHADMN COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)cc(Cl)c1O ZINC000016407990 1129446994 /nfs/dbraw/zinc/44/69/94/1129446994.db2.gz DZBLDXPUNJQGFS-BJMVGYQFSA-N 0 1 293.750 3.576 20 0 CHADMN Clc1ccc(-c2cnc([C@H]3CCCCN3)nc2)cc1 ZINC000094576877 1129447604 /nfs/dbraw/zinc/44/76/04/1129447604.db2.gz MIIQKRSDOKUIJR-CQSZACIVSA-N 0 1 273.767 3.612 20 0 CHADMN Clc1cccc(-c2cnc([C@@H]3CCCCN3)nc2)c1 ZINC000094576883 1129447632 /nfs/dbraw/zinc/44/76/32/1129447632.db2.gz PQUDQPFFEOJJMN-AWEZNQCLSA-N 0 1 273.767 3.612 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2ccnc(Cl)c2)s1 ZINC000795840821 1129451180 /nfs/dbraw/zinc/45/11/80/1129451180.db2.gz PMHWVXMRFWTPFV-RKDXNWHRSA-N 0 1 281.812 3.912 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1ccccc1OC1CCCC1 ZINC000180161926 1129455524 /nfs/dbraw/zinc/45/55/24/1129455524.db2.gz ZKJFHYMDKCFVEK-CYBMUJFWSA-N 0 1 299.418 3.890 20 0 CHADMN Cc1nc2ccc(Nc3cccc(C4CC4)n3)cc2[nH]1 ZINC001213073089 1129461036 /nfs/dbraw/zinc/46/10/36/1129461036.db2.gz DAFPNKOKBYCGSJ-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN CCOc1ccc(C)cc1-c1cccn2cncc12 ZINC001241148311 1129467292 /nfs/dbraw/zinc/46/72/92/1129467292.db2.gz WZJMFMHNKKJWFF-UHFFFAOYSA-N 0 1 252.317 3.708 20 0 CHADMN Cc1cccc(N[C@@H](c2nnc[nH]2)C2CCCCC2)c1F ZINC000644543214 1129469712 /nfs/dbraw/zinc/46/97/12/1129469712.db2.gz MWOSRAQJSUNTSJ-OAHLLOKOSA-N 0 1 288.370 3.986 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(N(C)C)cc2)cc1F ZINC000644614009 1129471255 /nfs/dbraw/zinc/47/12/55/1129471255.db2.gz SMOSFEWHEWJBBG-UHFFFAOYSA-N 0 1 272.367 3.620 20 0 CHADMN COc1cccc(CN2CCC(c3cccs3)CC2)n1 ZINC001137532161 1131376630 /nfs/dbraw/zinc/37/66/30/1131376630.db2.gz NGSIQDAZUDRQNJ-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN Fc1ccc(-n2ccc(CN3CCC(C4CC4)CC3)n2)cc1 ZINC000644718856 1129476559 /nfs/dbraw/zinc/47/65/59/1129476559.db2.gz IJXDQFIHDFLCDC-UHFFFAOYSA-N 0 1 299.393 3.633 20 0 CHADMN COc1cc(NCc2[nH]nc3ccccc32)cc(OC)c1C ZINC000644892813 1129479761 /nfs/dbraw/zinc/47/97/61/1129479761.db2.gz TWXBYQXWUHPVNE-UHFFFAOYSA-N 0 1 297.358 3.501 20 0 CHADMN Cc1ccc([C@H](C)C(=O)Nc2ccc3nc(C)[nH]c3c2)o1 ZINC000742504159 1129482603 /nfs/dbraw/zinc/48/26/03/1129482603.db2.gz VFWOZKNETIFCIX-JTQLQIEISA-N 0 1 283.331 3.515 20 0 CHADMN Cn1cc(-c2cc(F)c3c(c2)CN(C)CC3)c2ccccc21 ZINC001239545306 1131377398 /nfs/dbraw/zinc/37/73/98/1131377398.db2.gz GNTBONGTXXBJGA-UHFFFAOYSA-N 0 1 294.373 3.972 20 0 CHADMN [O-]c1cccc(C[NH2+]CCc2cccc(F)c2F)c1Cl ZINC000645155444 1129489076 /nfs/dbraw/zinc/48/90/76/1129489076.db2.gz YDZGLUJKYAIVNN-UHFFFAOYSA-N 0 1 297.732 3.656 20 0 CHADMN C[C@@H](C[NH2+]Cc1cccc([O-])c1Cl)Oc1ccccc1 ZINC000645155741 1129489169 /nfs/dbraw/zinc/48/91/69/1129489169.db2.gz DWXAFIILDLFSNC-LBPRGKRZSA-N 0 1 291.778 3.603 20 0 CHADMN C[C@@H]1CN(CC2=CCCC2)C[C@H](c2ccccc2)O1 ZINC000645781171 1129506255 /nfs/dbraw/zinc/50/62/55/1129506255.db2.gz ICDQQJLWJUZDDH-RHSMWYFYSA-N 0 1 257.377 3.559 20 0 CHADMN COc1ccccc1C1(NCc2cc(F)ccc2C)CC1 ZINC000646001489 1129517093 /nfs/dbraw/zinc/51/70/93/1129517093.db2.gz NTHLTDGFELPDAS-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN COc1ncccc1CNC1(c2cccc(C)c2)CCC1 ZINC000646022648 1129517942 /nfs/dbraw/zinc/51/79/42/1129517942.db2.gz YUKBXIRJZBFMGO-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN COc1cc(C)nc(CNC2(c3cccc(C)c3)CCC2)c1 ZINC000646021968 1129517978 /nfs/dbraw/zinc/51/79/78/1129517978.db2.gz QDGOGKGBKJQLJK-UHFFFAOYSA-N 0 1 296.414 3.876 20 0 CHADMN CC1(C)CCC[C@H]1[C@H]1CCN(Cc2nc(C3CC3)no2)C1 ZINC000646049732 1129519081 /nfs/dbraw/zinc/51/90/81/1129519081.db2.gz UIRLCDWBWVPHBL-KBPBESRZSA-N 0 1 289.423 3.595 20 0 CHADMN CN(CCC(C)(C)C)Cc1csc(C2CC2)n1 ZINC000646028691 1129519523 /nfs/dbraw/zinc/51/95/23/1129519523.db2.gz RSXARTYQDCNANF-UHFFFAOYSA-N 0 1 252.427 3.889 20 0 CHADMN Cc1cccc(Cl)c1NC(=O)CN(C)CCC(C)(C)C ZINC000646028597 1129519558 /nfs/dbraw/zinc/51/95/58/1129519558.db2.gz IZGMZHJBSWFQJS-UHFFFAOYSA-N 0 1 296.842 3.955 20 0 CHADMN Cc1cccc(C)c1CN[C@H](CCO)c1ccccc1F ZINC000646068119 1129520026 /nfs/dbraw/zinc/52/00/26/1129520026.db2.gz KHOIFEGPDBLLEF-GOSISDBHSA-N 0 1 287.378 3.656 20 0 CHADMN CCc1cccc(CN[C@H](CCO)c2ccccc2F)c1 ZINC000646070222 1129520096 /nfs/dbraw/zinc/52/00/96/1129520096.db2.gz OBOPFEHCXZUALA-GOSISDBHSA-N 0 1 287.378 3.601 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N1CCN(CC)[C@@H](C)C1 ZINC001137569116 1131379582 /nfs/dbraw/zinc/37/95/82/1131379582.db2.gz RHBYHGJWMBVOKW-HOTGVXAUSA-N 0 1 282.472 3.536 20 0 CHADMN CC[C@@H](N[C@H](C)c1c[nH]nc1C)c1cc(F)ccc1F ZINC000180913175 1129522224 /nfs/dbraw/zinc/52/22/24/1129522224.db2.gz LETWJWVMSCWSRF-RFAUZJTJSA-N 0 1 279.334 3.798 20 0 CHADMN CC(C)c1nc(CN2CC3(C[C@@H]2C)CCOCC3)cs1 ZINC000646099743 1129523447 /nfs/dbraw/zinc/52/34/47/1129523447.db2.gz BXSYFIOSDLDUFC-ZDUSSCGKSA-N 0 1 294.464 3.658 20 0 CHADMN C(c1nc(C2CCCC2)no1)N1CCCC[C@H]1C1CCC1 ZINC000646139307 1129525971 /nfs/dbraw/zinc/52/59/71/1129525971.db2.gz NCWCKKUOLKUQNU-HNNXBMFYSA-N 0 1 289.423 3.882 20 0 CHADMN C[C@@H]1C[C@@H](N(C)Cc2nccs2)CC(C)(C)C1 ZINC001258701925 1129527456 /nfs/dbraw/zinc/52/74/56/1129527456.db2.gz UPVYLZKLKJBIEM-VXGBXAGGSA-N 0 1 252.427 3.790 20 0 CHADMN C[C@H](NCCCC1CC1)c1nc(Cc2ccccc2)no1 ZINC000743476262 1129527793 /nfs/dbraw/zinc/52/77/93/1129527793.db2.gz HTRDQJKNAXKEFV-ZDUSSCGKSA-N 0 1 285.391 3.501 20 0 CHADMN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNC1CC1 ZINC000743503201 1129528206 /nfs/dbraw/zinc/52/82/06/1129528206.db2.gz MSOQAGGMBQRKKY-UHFFFAOYSA-N 0 1 296.201 3.740 20 0 CHADMN Fc1cccc(-c2nnc(CN3CCCCCCC3)o2)c1 ZINC000743836332 1129537971 /nfs/dbraw/zinc/53/79/71/1129537971.db2.gz UJAWQIQUWCXEPO-UHFFFAOYSA-N 0 1 289.354 3.642 20 0 CHADMN COc1cc(-c2ccc(CN(C)C)c(F)c2)ccc1F ZINC001241420770 1129538331 /nfs/dbraw/zinc/53/83/31/1129538331.db2.gz ZTQMKUFBSHUTKX-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN Fc1ccccc1[C@H]1CCN(Cc2cccc(Cl)n2)C1 ZINC000743847324 1129539112 /nfs/dbraw/zinc/53/91/12/1129539112.db2.gz IDUOBUWXTOKLCU-LBPRGKRZSA-N 0 1 290.769 3.864 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2F)N(C/C=C/Cl)C1 ZINC000743856773 1129541396 /nfs/dbraw/zinc/54/13/96/1129541396.db2.gz NQSAOZWOODXVEQ-FKULILBMSA-N 0 1 253.748 3.961 20 0 CHADMN Cc1ccc(CCN(C/C=C/Cl)C[C@@H]2CCCO2)cc1 ZINC000743864493 1129542412 /nfs/dbraw/zinc/54/24/12/1129542412.db2.gz ZGBMDZPTSYJVAY-QYSIDVQXSA-N 0 1 293.838 3.771 20 0 CHADMN CC[C@H](Cc1nc([C@@H]2CCCN2)no1)c1ccc(C)cc1 ZINC000647149765 1129552193 /nfs/dbraw/zinc/55/21/93/1129552193.db2.gz RDVVYCOMDZWUQA-HIFRSBDPSA-N 0 1 285.391 3.539 20 0 CHADMN Cc1cccc2cc(-c3nc([C@H]4CCCN4)no3)sc21 ZINC000647145434 1129552312 /nfs/dbraw/zinc/55/23/12/1129552312.db2.gz VVWCBLXASROUBN-LLVKDONJSA-N 0 1 285.372 3.684 20 0 CHADMN C[C@@H](OC(=O)/C=C/C1CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000744125973 1129554090 /nfs/dbraw/zinc/55/40/90/1129554090.db2.gz IDOICCJCSFWTDA-ILFKPUCNSA-N 0 1 290.750 3.787 20 0 CHADMN CCC(CC)[C@@H](NCc1cncnc1OC)c1ccccc1 ZINC000647174368 1129554622 /nfs/dbraw/zinc/55/46/22/1129554622.db2.gz YFSJXPXKMRGFLU-QGZVFWFLSA-N 0 1 299.418 3.752 20 0 CHADMN COc1ncncc1CN[C@H](c1cccc(C)c1)C(C)(C)C ZINC000647189840 1129555739 /nfs/dbraw/zinc/55/57/39/1129555739.db2.gz SQWZZWZJUNEEIY-MRXNPFEDSA-N 0 1 299.418 3.671 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CO1 ZINC000647198512 1129556044 /nfs/dbraw/zinc/55/60/44/1129556044.db2.gz JQWUFVDBFVJRJG-ICCXJUOJSA-N 0 1 291.288 3.586 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1N[C@@H]1CO[C@H](C)C1 ZINC000647210683 1129556612 /nfs/dbraw/zinc/55/66/12/1129556612.db2.gz UJVUXUBLXFZRDP-CVEARBPZSA-N 0 1 288.435 3.965 20 0 CHADMN COc1ccccc1C1(N[C@H](C)c2cncc(C)c2)CC1 ZINC000647329397 1129569042 /nfs/dbraw/zinc/56/90/42/1129569042.db2.gz NZRPRLVCYHAUAA-CQSZACIVSA-N 0 1 282.387 3.739 20 0 CHADMN COc1ccccc1C1(N[C@H](C)c2cccc(CO)c2)CC1 ZINC000647329063 1129569155 /nfs/dbraw/zinc/56/91/55/1129569155.db2.gz FHCKRSKQXATLBQ-CQSZACIVSA-N 0 1 297.398 3.527 20 0 CHADMN CCOC(=O)c1nc2cc(-c3ccccc3F)ccc2[nH]1 ZINC001239553932 1131382733 /nfs/dbraw/zinc/38/27/33/1131382733.db2.gz GNLVSULAIXJKDG-UHFFFAOYSA-N 0 1 284.290 3.546 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](CCO)c2ccccc2F)s1 ZINC000647344969 1129572284 /nfs/dbraw/zinc/57/22/84/1129572284.db2.gz BZXZKHCSZXFKSH-SWLSCSKDSA-N 0 1 293.407 3.970 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](CCO)c1ccccc1F)CC2 ZINC000647345920 1129572530 /nfs/dbraw/zinc/57/25/30/1129572530.db2.gz PFULPZZRNUFZKS-OALUTQOASA-N 0 1 299.389 3.835 20 0 CHADMN Cc1ccc(C2(N[C@@H](C)c3ccncn3)CCC2)cc1 ZINC000647352826 1129574250 /nfs/dbraw/zinc/57/42/50/1129574250.db2.gz OYMKZIFNPNJJJW-AWEZNQCLSA-N 0 1 267.376 3.515 20 0 CHADMN CC(C)N(CC1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000744392515 1129575167 /nfs/dbraw/zinc/57/51/67/1129575167.db2.gz QCDZCKGJEOMMGG-UHFFFAOYSA-N 0 1 288.435 3.538 20 0 CHADMN Cc1cc(F)c(CN2CC[C@H](c3ccccn3)C2)c(F)c1 ZINC000822476680 1131383211 /nfs/dbraw/zinc/38/32/11/1131383211.db2.gz SVMJCPZDZCZEPQ-ZDUSSCGKSA-N 0 1 288.341 3.658 20 0 CHADMN CN1CCC=C(c2ncc(C(F)(F)F)cc2C2CC2)C1 ZINC001241569350 1129583737 /nfs/dbraw/zinc/58/37/37/1129583737.db2.gz VMUFCYCOPRPKES-UHFFFAOYSA-N 0 1 282.309 3.697 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@H](c2ccccn2)C1 ZINC000647950983 1129588832 /nfs/dbraw/zinc/58/88/32/1129588832.db2.gz IKWCDHSKZRSOSC-ZDUSSCGKSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1nc(CN2CCC[C@H]2c2ccccc2C)co1 ZINC000647959753 1129588905 /nfs/dbraw/zinc/58/89/05/1129588905.db2.gz JUZZWWUBFMDINF-INIZCTEOSA-N 0 1 256.349 3.629 20 0 CHADMN CCc1nocc1CN(C)[C@@H](C)c1ccc(C)cc1 ZINC000647958933 1129588956 /nfs/dbraw/zinc/58/89/56/1129588956.db2.gz NGOOJUKHWFHZQW-ZDUSSCGKSA-N 0 1 258.365 3.738 20 0 CHADMN Fc1cccc(CN2CCC[C@H](c3ccccn3)C2)c1F ZINC000647950312 1129589027 /nfs/dbraw/zinc/58/90/27/1129589027.db2.gz SOGCFWBAAJLNTC-ZDUSSCGKSA-N 0 1 288.341 3.739 20 0 CHADMN C[C@H](NCc1cccc(N)c1)c1ccccc1Cl ZINC000647967135 1129590210 /nfs/dbraw/zinc/59/02/10/1129590210.db2.gz UASVPOSHFFAKOY-NSHDSACASA-N 0 1 260.768 3.773 20 0 CHADMN CCc1nocc1CNC(C)(C)c1cccc(Cl)c1 ZINC000647970594 1129590234 /nfs/dbraw/zinc/59/02/34/1129590234.db2.gz ZGMXFLDXXUHQPS-UHFFFAOYSA-N 0 1 278.783 3.915 20 0 CHADMN Cc1cc(F)ccc1CN1CC(C)(CC(F)F)C1 ZINC000648058500 1129594634 /nfs/dbraw/zinc/59/46/34/1129594634.db2.gz NMSIZBBNNWCOJM-UHFFFAOYSA-N 0 1 257.299 3.611 20 0 CHADMN CN(CCC(C)(C)C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000648059797 1129594742 /nfs/dbraw/zinc/59/47/42/1129594742.db2.gz KYWPNULINHPWHU-ZDUSSCGKSA-N 0 1 282.453 3.863 20 0 CHADMN C[C@@H](N[C@H]1CSCc2ccccc21)c1ccccn1 ZINC000037219062 1129597106 /nfs/dbraw/zinc/59/71/06/1129597106.db2.gz YQYXBUYRZHJBAR-WBMJQRKESA-N 0 1 270.401 3.720 20 0 CHADMN C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc2cccnc2o1 ZINC000648509821 1129609974 /nfs/dbraw/zinc/60/99/74/1129609974.db2.gz CYAPQYUMEFMPNP-JQWIXIFHSA-N 0 1 298.308 3.991 20 0 CHADMN C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1cc2cccnc2o1 ZINC000648509821 1129609977 /nfs/dbraw/zinc/60/99/77/1129609977.db2.gz CYAPQYUMEFMPNP-JQWIXIFHSA-N 0 1 298.308 3.991 20 0 CHADMN C(N[C@H]1CCCC12CCCCC2)c1nnc(C2CC2)o1 ZINC000648529084 1129611583 /nfs/dbraw/zinc/61/15/83/1129611583.db2.gz HMJVBZBVRRZKPP-ZDUSSCGKSA-N 0 1 275.396 3.540 20 0 CHADMN COc1cc(CNCc2occc2C)ccc1Cl ZINC000648816839 1129626759 /nfs/dbraw/zinc/62/67/59/1129626759.db2.gz LMMMEAFXBROXGT-UHFFFAOYSA-N 0 1 265.740 3.540 20 0 CHADMN CCN(CCc1ccccn1)[C@@H](C)c1c(F)cccc1F ZINC000746143149 1129627937 /nfs/dbraw/zinc/62/79/37/1129627937.db2.gz COULVDOCROAUBM-ZDUSSCGKSA-N 0 1 290.357 3.985 20 0 CHADMN Cc1ccc(CN2Cc3ccccc3[C@H](C)C2)nc1 ZINC000746310637 1129630288 /nfs/dbraw/zinc/63/02/88/1129630288.db2.gz UYPUBLYENZHMQM-CQSZACIVSA-N 0 1 252.361 3.509 20 0 CHADMN CC(C)OCCNCc1ccc(Oc2ccccc2)o1 ZINC000184166930 1129631261 /nfs/dbraw/zinc/63/12/61/1129631261.db2.gz MCCZVJLXKUWWPG-UHFFFAOYSA-N 0 1 275.348 3.587 20 0 CHADMN Cc1cccc(Cl)c1CN[C@](C)(CO)c1ccccc1 ZINC000649303383 1129640718 /nfs/dbraw/zinc/64/07/18/1129640718.db2.gz BZJZGQALBQLYJD-QGZVFWFLSA-N 0 1 289.806 3.646 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1ccccc1OC1CC1 ZINC000649421765 1129644379 /nfs/dbraw/zinc/64/43/79/1129644379.db2.gz IHVCALSCUAHDEE-CQSZACIVSA-N 0 1 282.387 3.782 20 0 CHADMN CCOc1ccc(-c2nc(C(C)(C)C)nc3nc[nH]c32)cc1 ZINC001239563082 1131388013 /nfs/dbraw/zinc/38/80/13/1131388013.db2.gz WDULSFSQQCFJII-UHFFFAOYSA-N 0 1 296.374 3.716 20 0 CHADMN C[C@@H]1c2cc(F)cc(F)c2CCN1[C@@H]1C=CCCC1 ZINC001459767213 1129647274 /nfs/dbraw/zinc/64/72/74/1129647274.db2.gz MLPDHPRJYSKQPT-DGCLKSJQSA-N 0 1 263.331 3.993 20 0 CHADMN C[C@H]1c2cc(F)cc(F)c2CCN1[C@H]1C=CCCC1 ZINC001459767208 1129647366 /nfs/dbraw/zinc/64/73/66/1129647366.db2.gz MLPDHPRJYSKQPT-AAEUAGOBSA-N 0 1 263.331 3.993 20 0 CHADMN Fc1cc(Br)ccc1CN1CC[C@H]2CCC[C@@H]21 ZINC000383094908 1129650179 /nfs/dbraw/zinc/65/01/79/1129650179.db2.gz MHGBDDMZSRLBPY-YGRLFVJLSA-N 0 1 298.199 3.963 20 0 CHADMN Cc1cc(C)cc(N2N=C3CCCCC[C@@H]3C2=O)c1 ZINC000100214096 1129653578 /nfs/dbraw/zinc/65/35/78/1129653578.db2.gz JYAKFRGDGYTNBF-AWEZNQCLSA-N 0 1 256.349 3.586 20 0 CHADMN Cc1cc(C)cc(-n2[nH]c3c(c2=O)CCCCC3)c1 ZINC000100214096 1129653582 /nfs/dbraw/zinc/65/35/82/1129653582.db2.gz JYAKFRGDGYTNBF-AWEZNQCLSA-N 0 1 256.349 3.586 20 0 CHADMN Cc1ncccc1-c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000386549534 1129653668 /nfs/dbraw/zinc/65/36/68/1129653668.db2.gz SWWAWXGKLJPJSN-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN CC[C@@H](c1ccccc1)N(CC)Cc1cc2n(n1)CCC2 ZINC000649500926 1129653981 /nfs/dbraw/zinc/65/39/81/1129653981.db2.gz XPFVBENSIJIKDL-SFHVURJKSA-N 0 1 283.419 3.803 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cc3n(n2)CCC3)cc1C ZINC000649496618 1129654360 /nfs/dbraw/zinc/65/43/60/1129654360.db2.gz DHUSHOCKZSWRCZ-LJQANCHMSA-N 0 1 295.430 3.783 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2coc(C3CC3)n2)C1(CC)CC ZINC000749296395 1129656836 /nfs/dbraw/zinc/65/68/36/1129656836.db2.gz NQIDLNBFPGPLJD-CABCVRRESA-N 0 1 292.423 3.625 20 0 CHADMN CC(C)[C@H]1c2ccccc2CCN1Cc1cc2n(n1)CCC2 ZINC000649551585 1129657557 /nfs/dbraw/zinc/65/75/57/1129657557.db2.gz FCWIYIAZAISZNS-IBGZPJMESA-N 0 1 295.430 3.585 20 0 CHADMN CCC[C@H](NCc1cc2n(n1)CCCC2)c1ccccc1 ZINC000649573726 1129659384 /nfs/dbraw/zinc/65/93/84/1129659384.db2.gz NKUZJUDDPVBJBT-SFHVURJKSA-N 0 1 283.419 3.850 20 0 CHADMN CC(C)C[C@H](NCc1cc2n(n1)CCC2)c1cccs1 ZINC000649583177 1129660505 /nfs/dbraw/zinc/66/05/05/1129660505.db2.gz DCFCFSMASJLRKP-HNNXBMFYSA-N 0 1 289.448 3.768 20 0 CHADMN C[C@H](C[C@H](O)c1ccco1)NCc1c(F)cccc1Cl ZINC000305702609 1129660780 /nfs/dbraw/zinc/66/07/80/1129660780.db2.gz DHJXHORXYQTWMM-YGRLFVJLSA-N 0 1 297.757 3.674 20 0 CHADMN COc1ccncc1CNC1(c2ccccc2C)CCC1 ZINC000649644675 1129665781 /nfs/dbraw/zinc/66/57/81/1129665781.db2.gz NUIUAFDXEODIMW-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN c1csc(CN2CCC3(CCc4ccccc4C3)CC2)n1 ZINC000649647436 1129665835 /nfs/dbraw/zinc/66/58/35/1129665835.db2.gz MJUSVAFRLBSHRH-UHFFFAOYSA-N 0 1 298.455 3.914 20 0 CHADMN CC[C@H](NCc1ccccn1)c1ccc(C)c(F)c1 ZINC001168792914 1129666332 /nfs/dbraw/zinc/66/63/32/1129666332.db2.gz IDRFQBOMCOJRSO-INIZCTEOSA-N 0 1 258.340 3.770 20 0 CHADMN CCOc1ccc(-c2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001239564078 1131389243 /nfs/dbraw/zinc/38/92/43/1131389243.db2.gz BIKSSSNVARPFTK-UHFFFAOYSA-N 0 1 296.414 3.504 20 0 CHADMN CCc1ccc(-c2noc(CN3CCC34CCCC4)n2)cc1 ZINC000649655905 1129666423 /nfs/dbraw/zinc/66/64/23/1129666423.db2.gz VMMHIXGNYCHVIM-UHFFFAOYSA-N 0 1 297.402 3.818 20 0 CHADMN c1ccc2sc(CN3CCC34CCCC4)nc2c1 ZINC000649656516 1129666924 /nfs/dbraw/zinc/66/69/24/1129666924.db2.gz QKZIGIYLAANSLD-UHFFFAOYSA-N 0 1 258.390 3.815 20 0 CHADMN COc1ccc2nc(CN3CCC34CCCC4)sc2c1 ZINC000649657890 1129667914 /nfs/dbraw/zinc/66/79/14/1129667914.db2.gz QCOWODLZBHMKQB-UHFFFAOYSA-N 0 1 288.416 3.823 20 0 CHADMN CC[C@@H]1CN(Cc2cnc3ccccc3c2)[C@@H](CC)CO1 ZINC000649718662 1129672786 /nfs/dbraw/zinc/67/27/86/1129672786.db2.gz DIVWWJJYNQOERP-DLBZAZTESA-N 0 1 284.403 3.624 20 0 CHADMN Cc1ccc(C(C)(C)Nc2ccc3c(n2)NCCO3)cc1 ZINC001168805120 1129673236 /nfs/dbraw/zinc/67/32/36/1129673236.db2.gz WOIGHVMVKRMCRS-UHFFFAOYSA-N 0 1 283.375 3.542 20 0 CHADMN Cc1cc([C@@H]2CCCN2CC[C@@H]2CC2(Cl)Cl)on1 ZINC000822583952 1131389853 /nfs/dbraw/zinc/38/98/53/1131389853.db2.gz XORORMZQKOOOBA-MNOVXSKESA-N 0 1 289.206 3.704 20 0 CHADMN Cc1ccc([C@@H](C)Nc2cn3ccnc3cc2C)nc1 ZINC001168854681 1129676684 /nfs/dbraw/zinc/67/66/84/1129676684.db2.gz OQIJVQLZKCCVEI-CYBMUJFWSA-N 0 1 266.348 3.519 20 0 CHADMN Cc1ccc([C@@H](C)Nc2cc(C(C)C)nc(N(C)C)n2)nc1 ZINC001168853235 1129676793 /nfs/dbraw/zinc/67/67/93/1129676793.db2.gz YABCEMALWAQPRI-CYBMUJFWSA-N 0 1 299.422 3.543 20 0 CHADMN C[C@H](NC1(C2CCC2)CC1)c1nnc(-c2cccs2)o1 ZINC000649806932 1129678545 /nfs/dbraw/zinc/67/85/45/1129678545.db2.gz GOLLEFKKDBPEHX-JTQLQIEISA-N 0 1 289.404 3.781 20 0 CHADMN CC(C)n1nccc1CN1CCc2ccccc2[C@@H](C)C1 ZINC000649835903 1129681313 /nfs/dbraw/zinc/68/13/13/1129681313.db2.gz VTCZGGJQFRZNEB-HNNXBMFYSA-N 0 1 283.419 3.626 20 0 CHADMN C[C@H]1CN(Cc2nnc(C3CC3)s2)CCc2ccccc21 ZINC000649835852 1129681450 /nfs/dbraw/zinc/68/14/50/1129681450.db2.gz SYRWPYXGLCDMFE-LBPRGKRZSA-N 0 1 299.443 3.577 20 0 CHADMN C[C@@H]1CN(Cc2ncc(C3CC3)o2)CCc2ccccc21 ZINC000649835233 1129681635 /nfs/dbraw/zinc/68/16/35/1129681635.db2.gz CSMSHYPOVKCATB-CYBMUJFWSA-N 0 1 282.387 3.714 20 0 CHADMN CC1(C)CCC(COC(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000766531994 1129682148 /nfs/dbraw/zinc/68/21/48/1129682148.db2.gz TXFGOKQZIYIJSG-ZDUSSCGKSA-N 0 1 290.407 3.589 20 0 CHADMN C[C@H](c1ccncc1)N1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000649894366 1129683979 /nfs/dbraw/zinc/68/39/79/1129683979.db2.gz JLOAJNCLRZRNDU-UONOGXRCSA-N 0 1 284.378 3.944 20 0 CHADMN CCCCC[C@H](C)NCc1nnc(C(C)C)s1 ZINC000766548168 1129684257 /nfs/dbraw/zinc/68/42/57/1129684257.db2.gz BWQYOAFRLPGGRI-NSHDSACASA-N 0 1 255.431 3.720 20 0 CHADMN CCCC[C@H](CCC)NC(CC)(CC)C(=O)OC ZINC001258758327 1129694283 /nfs/dbraw/zinc/69/42/83/1129694283.db2.gz CIPRDEHMYKELIF-ZDUSSCGKSA-N 0 1 257.418 3.667 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc3c(c2)C[C@H](C)O3)o1 ZINC000720781668 1129699175 /nfs/dbraw/zinc/69/91/75/1129699175.db2.gz RXJAIUQLACEOKO-STQMWFEESA-N 0 1 271.360 3.762 20 0 CHADMN OCC[C@@H](NC/C=C/Cl)c1ccc(Cl)c(Cl)c1 ZINC000796428120 1129708597 /nfs/dbraw/zinc/70/85/97/1129708597.db2.gz CJLXENBNARYCAE-ZGTSGANGSA-N 0 1 294.609 3.759 20 0 CHADMN Cc1nc2cc(N[C@H]3CCCC(F)(F)C3)ccc2[nH]1 ZINC001169214030 1129708589 /nfs/dbraw/zinc/70/85/89/1129708589.db2.gz SIPNKGCHFHXLCK-NSHDSACASA-N 0 1 265.307 3.861 20 0 CHADMN CCN(Cc1cccnc1Br)C1CCCCC1 ZINC001137792721 1131417131 /nfs/dbraw/zinc/41/71/31/1131417131.db2.gz OXYRRAGETAKGRM-UHFFFAOYSA-N 0 1 297.240 3.999 20 0 CHADMN CC(C)(C)n1cc(CNC(C)(C)c2ccc(F)cc2)cn1 ZINC000103173250 1129718755 /nfs/dbraw/zinc/71/87/55/1129718755.db2.gz XPOUYPQRPDJMGC-UHFFFAOYSA-N 0 1 289.398 3.802 20 0 CHADMN Cc1cc(N(C)C)nc(N[C@H]2C[C@H](C)c3ccccc32)n1 ZINC001169363622 1129720407 /nfs/dbraw/zinc/72/04/07/1129720407.db2.gz IYVSHHFSAPKALE-NHYWBVRUSA-N 0 1 282.391 3.511 20 0 CHADMN C[C@H]1C[C@@H](Nc2ccc3nc[nH]c3n2)c2ccccc21 ZINC001169366999 1129720903 /nfs/dbraw/zinc/72/09/03/1129720903.db2.gz ZGMMSSSGRVOPCS-IINYFYTJSA-N 0 1 264.332 3.618 20 0 CHADMN C[C@H]1C[C@@H](Nc2cccn3cncc23)c2ccccc21 ZINC001169378692 1129722726 /nfs/dbraw/zinc/72/27/26/1129722726.db2.gz MDNWAOSOTIGKNP-BLLLJJGKSA-N 0 1 263.344 3.995 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1-c1ccccc1C ZINC000650805546 1129722908 /nfs/dbraw/zinc/72/29/08/1129722908.db2.gz CPYOGLBEJDHENG-GOSISDBHSA-N 0 1 297.398 3.957 20 0 CHADMN CCOC(=O)[C@@H](CC)N(CC)C[C@@H](CC)c1ccccc1 ZINC001169483788 1129728753 /nfs/dbraw/zinc/72/87/53/1129728753.db2.gz VCMMOGQKCJKWJF-NVXWUHKLSA-N 0 1 291.435 3.844 20 0 CHADMN CC(C)c1nc(CN(CC(C)(C)C)c2ccccc2)n[nH]1 ZINC001169481010 1129729040 /nfs/dbraw/zinc/72/90/40/1129729040.db2.gz AAWLKRKEZKSMKE-UHFFFAOYSA-N 0 1 286.423 3.981 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](C3CC3)C2)c(Cl)n1 ZINC000839015664 1129738338 /nfs/dbraw/zinc/73/83/38/1129738338.db2.gz OCNIWUZMOQIAKZ-CYBMUJFWSA-N 0 1 264.800 3.665 20 0 CHADMN C[C@@H]1CN(Cc2cc(Br)cs2)C2(CC2)C1 ZINC001204027779 1129738737 /nfs/dbraw/zinc/73/87/37/1129738737.db2.gz LUOXXUYUJFYEGN-VIFPVBQESA-N 0 1 286.238 3.885 20 0 CHADMN CCCCCC[C@H](C)C(=O)Nc1cc(N(C)C)ccn1 ZINC001137800233 1131417364 /nfs/dbraw/zinc/41/73/64/1131417364.db2.gz YOAYXGJBDDMAPJ-ZDUSSCGKSA-N 0 1 277.412 3.693 20 0 CHADMN CN(C)Cc1cccc(NCCc2coc3ccccc23)n1 ZINC001169591699 1129739396 /nfs/dbraw/zinc/73/93/96/1129739396.db2.gz YHUHDPWCZUEXNA-UHFFFAOYSA-N 0 1 295.386 3.544 20 0 CHADMN CC[C@@H](NCc1cccc2c1CCC2)c1nccs1 ZINC000651718276 1129745372 /nfs/dbraw/zinc/74/53/72/1129745372.db2.gz JQXCMWCRRXBFDY-OAHLLOKOSA-N 0 1 272.417 3.873 20 0 CHADMN F[C@@]1(c2ccccc2)CCN(Cc2cc3cnccc3o2)C1 ZINC000651795522 1129748814 /nfs/dbraw/zinc/74/88/14/1129748814.db2.gz COYMIIIKXFMIHM-SFHVURJKSA-N 0 1 296.345 3.899 20 0 CHADMN Cc1ccccc1[C@]1(F)CCN(C[C@@H](O)CCC(C)C)C1 ZINC001169715662 1129749960 /nfs/dbraw/zinc/74/99/60/1129749960.db2.gz MYBCQVKZRLZJCY-WMZOPIPTSA-N 0 1 293.426 3.663 20 0 CHADMN CC[C@@H]1CO[C@@H](CC)CN1Cc1ccnc2ccccc12 ZINC000651912084 1129750991 /nfs/dbraw/zinc/75/09/91/1129750991.db2.gz KKZYQOIBEULEHN-CVEARBPZSA-N 0 1 284.403 3.624 20 0 CHADMN CC(C)c1nc(CN2CCCC(F)(F)C2)c2ccccn21 ZINC000651896078 1129751099 /nfs/dbraw/zinc/75/10/99/1129751099.db2.gz GUKQTWDUCFPXJW-UHFFFAOYSA-N 0 1 293.361 3.689 20 0 CHADMN COc1ccc(-c2cc3[nH]cnc3cc2C)cc1F ZINC001239578854 1131396288 /nfs/dbraw/zinc/39/62/88/1131396288.db2.gz VAASLEIZTFKXOS-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CCOc1ccccc1OCCNc1nc(C)ccc1C ZINC001169788410 1129756930 /nfs/dbraw/zinc/75/69/30/1129756930.db2.gz SZXJTUIIKDDBEG-UHFFFAOYSA-N 0 1 286.375 3.588 20 0 CHADMN Cc1cc([C@H](C)NC2(c3ccccc3C)CCC2)nn1C ZINC000652216626 1129760197 /nfs/dbraw/zinc/76/01/97/1129760197.db2.gz AAXGDIYHJAOGFT-HNNXBMFYSA-N 0 1 283.419 3.767 20 0 CHADMN CCn1ccnc1[C@@H](C)NCc1cccc2ccsc21 ZINC000652220173 1129760266 /nfs/dbraw/zinc/76/02/66/1129760266.db2.gz WNYPPWWPULGCBS-GFCCVEGCSA-N 0 1 285.416 3.969 20 0 CHADMN CC[C@H](N[C@@H](C)c1c[nH]nc1C)c1ccccc1F ZINC000652248850 1129761046 /nfs/dbraw/zinc/76/10/46/1129761046.db2.gz FALNYEQDHBXUAR-BONVTDFDSA-N 0 1 261.344 3.659 20 0 CHADMN CC(C)Cc1ccc(CN2C[C@@H](C)O[C@H](C3CC3)C2)cc1 ZINC001169890635 1129762065 /nfs/dbraw/zinc/76/20/65/1129762065.db2.gz PVGCXAWIOQGDFR-BEFAXECRSA-N 0 1 287.447 3.884 20 0 CHADMN COc1ccc(-c2ccc3nc[nH]c3c2C)cc1F ZINC001239578656 1131395941 /nfs/dbraw/zinc/39/59/41/1131395941.db2.gz PWZGATXHTDIGCP-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN C[C@H]1CCCC[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000652441299 1129765165 /nfs/dbraw/zinc/76/51/65/1129765165.db2.gz DWTCPABKLVYCBG-NSHDSACASA-N 0 1 281.783 3.660 20 0 CHADMN CC(C)(C(=O)N[C@@H]1CCCc2cn[nH]c21)C1CCCCC1 ZINC000767086981 1129777373 /nfs/dbraw/zinc/77/73/73/1129777373.db2.gz COBLAFDUDMMSOP-CQSZACIVSA-N 0 1 289.423 3.510 20 0 CHADMN COc1ccc(-c2cccc(CN(C)C)c2F)cc1F ZINC001239580721 1131397103 /nfs/dbraw/zinc/39/71/03/1131397103.db2.gz JKQDQUUWQHKZID-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN COc1cc(CNCc2cc(C)oc2C)ccc1C ZINC000767348511 1129787440 /nfs/dbraw/zinc/78/74/40/1129787440.db2.gz HOEDXKALFYVJFR-UHFFFAOYSA-N 0 1 259.349 3.503 20 0 CHADMN CCN(CC)C(=S)SCc1ccc2nc(C)[nH]c2c1 ZINC000767378981 1129790813 /nfs/dbraw/zinc/79/08/13/1129790813.db2.gz IUVCBWDJLHFRQM-UHFFFAOYSA-N 0 1 293.461 3.731 20 0 CHADMN Cc1nc2ccc(Cn3nc(Cl)c4ccccc43)cc2[nH]1 ZINC000767405184 1129790826 /nfs/dbraw/zinc/79/08/26/1129790826.db2.gz YDBQUTGSRXVQKD-UHFFFAOYSA-N 0 1 296.761 3.923 20 0 CHADMN CCC(CC)NC(=O)[C@H](C)N[C@H](CC)c1ccccc1F ZINC000653792568 1129795630 /nfs/dbraw/zinc/79/56/30/1129795630.db2.gz LZMWOFUTBIDXAL-BLLLJJGKSA-N 0 1 294.414 3.560 20 0 CHADMN Cc1cnc(=S)n(CN2CC(C)(C)CC(C)(C)C2)c1 ZINC000767516710 1129796770 /nfs/dbraw/zinc/79/67/70/1129796770.db2.gz WXAMPRUZGYJJNU-UHFFFAOYSA-N 0 1 279.453 3.637 20 0 CHADMN Cc1cccc(CN2CC[C@H](C(F)(F)F)C2)c1F ZINC001137677320 1131398286 /nfs/dbraw/zinc/39/82/86/1131398286.db2.gz LUUXASARWZBCHY-NSHDSACASA-N 0 1 261.262 3.518 20 0 CHADMN CCCc1nc(CN[C@H](CC)[C@@H]2CCCCO2)cs1 ZINC000653880914 1129799781 /nfs/dbraw/zinc/79/97/81/1129799781.db2.gz RQVHIFYWMJOPFY-KGLIPLIRSA-N 0 1 282.453 3.533 20 0 CHADMN ClC1(Cl)C[C@@H]1CCN1CCc2ccsc2C1 ZINC000822790295 1131398625 /nfs/dbraw/zinc/39/86/25/1131398625.db2.gz HCDUTODQNQCORZ-JTQLQIEISA-N 0 1 276.232 3.690 20 0 CHADMN Cc1cccc(CN(C)C[C@H]2Cc3ccccc3O2)c1F ZINC001137680214 1131398709 /nfs/dbraw/zinc/39/87/09/1131398709.db2.gz RVGOCTMBMDDTGD-MRXNPFEDSA-N 0 1 285.362 3.570 20 0 CHADMN CCOC(CN(Cc1ccccc1F)CC(C)C)OCC ZINC000767771441 1129813015 /nfs/dbraw/zinc/81/30/15/1129813015.db2.gz GUPAWYCKLUXMNK-UHFFFAOYSA-N 0 1 297.414 3.683 20 0 CHADMN CC1(C)CC(N[C@H]2CCCCC2(F)F)CC(C)(C)N1O ZINC001169976551 1129817328 /nfs/dbraw/zinc/81/73/28/1129817328.db2.gz HWQLOTZLQRHXBY-LBPRGKRZSA-N 0 1 290.398 3.565 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@@H]3CCCC[C@H]3C)[nH]c2c1 ZINC001129384338 1129829452 /nfs/dbraw/zinc/82/94/52/1129829452.db2.gz GXTSTABQFFPDPH-VXGBXAGGSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@@H]3CCCC[C@@H]3C)[nH]c2c1 ZINC001129384336 1129829723 /nfs/dbraw/zinc/82/97/23/1129829723.db2.gz GXTSTABQFFPDPH-NWDGAFQWSA-N 0 1 271.364 3.636 20 0 CHADMN CC[C@H](C)[C@@H](CN[C@@H](C)c1c(F)cccc1F)OC ZINC000381261586 1129836432 /nfs/dbraw/zinc/83/64/32/1129836432.db2.gz FAPGHVJFJJBRIW-COPLHBTASA-N 0 1 271.351 3.677 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cccc2O)c1ccc(C#N)c(F)c1 ZINC000271952677 1129838924 /nfs/dbraw/zinc/83/89/24/1129838924.db2.gz PBKGOWQTAYURRB-APPDUMDISA-N 0 1 296.345 3.741 20 0 CHADMN Cc1ccc2nc(NC(=O)C3CCC=CCC3)[nH]c2c1 ZINC001129386315 1129839646 /nfs/dbraw/zinc/83/96/46/1129839646.db2.gz ROIFONXALKSKLN-UHFFFAOYSA-N 0 1 269.348 3.556 20 0 CHADMN c1c2ccccc2sc1CN1CCc2cccnc2C1 ZINC001137686628 1131401218 /nfs/dbraw/zinc/40/12/18/1131401218.db2.gz NIVOSFNZTOVMKJ-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN c1oc(C2CC2)nc1CN1CCC[C@@H]1Cc1ccccc1 ZINC000768232182 1129845542 /nfs/dbraw/zinc/84/55/42/1129845542.db2.gz YSFHWJQRSQOTQB-QGZVFWFLSA-N 0 1 282.387 3.759 20 0 CHADMN c1oc(C2CC2)nc1CN1CC[C@@H](c2ccccc2)C1 ZINC000768361629 1129854013 /nfs/dbraw/zinc/85/40/13/1129854013.db2.gz STAOVKJUOLBWLU-OAHLLOKOSA-N 0 1 268.360 3.542 20 0 CHADMN Cc1csc([C@H](C)NC[C@@]2(C)CC2(Cl)Cl)n1 ZINC000828816164 1131402179 /nfs/dbraw/zinc/40/21/79/1131402179.db2.gz LGXPRTCTEIGQHK-WCBMZHEXSA-N 0 1 279.236 3.686 20 0 CHADMN Cl/C=C\CN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000768543943 1129863754 /nfs/dbraw/zinc/86/37/54/1129863754.db2.gz XNHCBLAVNSDBTN-LDJOOVGUSA-N 0 1 296.867 3.954 20 0 CHADMN CC(C)COC[C@H](NC1CC(C(F)F)C1)c1ccco1 ZINC000768685246 1129870003 /nfs/dbraw/zinc/87/00/03/1129870003.db2.gz AYPSCSMZVWQLAF-BPCQOVAHSA-N 0 1 287.350 3.627 20 0 CHADMN FCCN1CCC(c2ccc(Br)cc2)CC1 ZINC000800412787 1129871472 /nfs/dbraw/zinc/87/14/72/1129871472.db2.gz QWFUVJZQSANSRR-UHFFFAOYSA-N 0 1 286.188 3.598 20 0 CHADMN Fc1ccccc1COC1CCN(C/C=C\Cl)CC1 ZINC000768797452 1129874895 /nfs/dbraw/zinc/87/48/95/1129874895.db2.gz POUFNTRDPUGMEX-BAQGIRSFSA-N 0 1 283.774 3.559 20 0 CHADMN CCc1cccc(C)c1NC(=O)[C@@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC000900305583 1129877094 /nfs/dbraw/zinc/87/70/94/1129877094.db2.gz QBYJTPNUVQMTLD-XHDPSFHLSA-N 0 1 297.402 3.585 20 0 CHADMN CN(C)Cc1ccc(N[C@@H]2CCC[C@H]3C[C@]32C)cc1F ZINC000800488485 1129878515 /nfs/dbraw/zinc/87/85/15/1129878515.db2.gz LNJPCCVWIXPIDX-IAOVAPTHSA-N 0 1 276.399 3.878 20 0 CHADMN COc1cccc([C@@H](C)NCc2cc(C)cc(Cl)n2)c1 ZINC000800493332 1129879206 /nfs/dbraw/zinc/87/92/06/1129879206.db2.gz WPVHQRFNAMPAHO-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CN(C)Cc1ccc(N[C@@H]2CCC23CCC3)cc1F ZINC000800489511 1129879221 /nfs/dbraw/zinc/87/92/21/1129879221.db2.gz YDFQJQHFOFFWSJ-OAHLLOKOSA-N 0 1 262.372 3.632 20 0 CHADMN CC(=C(F)C(=O)Nc1cccc(-c2ncc[nH]2)c1)C1CC1 ZINC000900555752 1129886214 /nfs/dbraw/zinc/88/62/14/1129886214.db2.gz JZBWERMENSSGEX-GXDHUFHOSA-N 0 1 285.322 3.669 20 0 CHADMN CN(C)/C=C/c1ccncc1/C=C/c1ccccc1 ZINC001239593537 1131404968 /nfs/dbraw/zinc/40/49/68/1131404968.db2.gz RBBDGRRDGTTXCF-VKTMSVCMSA-N 0 1 250.345 3.784 20 0 CHADMN CCCCN(C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21)[C@@H](C)CC ZINC000900631586 1129888671 /nfs/dbraw/zinc/88/86/71/1129888671.db2.gz OTHAECODAXMCDP-KCQAQPDRSA-N 0 1 291.439 3.503 20 0 CHADMN CC(=O)C1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC001137712688 1131406373 /nfs/dbraw/zinc/40/63/73/1131406373.db2.gz NGIQKDDFHGRKNZ-UHFFFAOYSA-N 0 1 290.794 3.622 20 0 CHADMN CCS[C@H]1CCCCN(Cc2coc(C3CC3)n2)C1 ZINC000769404869 1129906805 /nfs/dbraw/zinc/90/68/05/1129906805.db2.gz SWUKWLLUZDVRHP-AWEZNQCLSA-N 0 1 280.437 3.660 20 0 CHADMN C[C@H](CCC1CC1)Nc1ccc(CN(C)C)c(F)c1 ZINC000769414808 1129907327 /nfs/dbraw/zinc/90/73/27/1129907327.db2.gz MUBZODVXSMYETK-GFCCVEGCSA-N 0 1 264.388 3.878 20 0 CHADMN CN(Cc1coc(C2CC2)n1)[C@@H]1CCc2ccccc2C1 ZINC000769427611 1129908262 /nfs/dbraw/zinc/90/82/62/1129908262.db2.gz NAPURKGHZOMAFY-QGZVFWFLSA-N 0 1 282.387 3.541 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)[C@H](C)C2)cnc1Cl ZINC000769451357 1129911071 /nfs/dbraw/zinc/91/10/71/1129911071.db2.gz LPAVINYIXCJXLF-ZYHUDNBSSA-N 0 1 252.789 3.521 20 0 CHADMN FC(F)C1CC(N[C@@H](c2nccs2)c2ccccc2)C1 ZINC000769495426 1129913310 /nfs/dbraw/zinc/91/33/10/1129913310.db2.gz QLGNJZSVTORMDR-WXRRBKDZSA-N 0 1 294.370 3.866 20 0 CHADMN CC(C)(C)[C@@H](N)c1cc(-c2ccccc2OC(F)F)no1 ZINC000901396466 1129920380 /nfs/dbraw/zinc/92/03/80/1129920380.db2.gz SSQMKTQGZOUJTH-ZDUSSCGKSA-N 0 1 296.317 3.989 20 0 CHADMN CCc1oc2ccccc2c1-c1cc([C@@H](C)N)on1 ZINC000901399157 1129921271 /nfs/dbraw/zinc/92/12/71/1129921271.db2.gz BXNDIELQLPNFBW-SECBINFHSA-N 0 1 256.305 3.670 20 0 CHADMN CCc1oc(C[N@@H+](Cc2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000901417931 1129922793 /nfs/dbraw/zinc/92/27/93/1129922793.db2.gz QKKJNODYGAXWQE-UHFFFAOYSA-N 0 1 299.370 3.705 20 0 CHADMN O=C([O-])[C@H]1CCC[N@@H+](CC2CCC3(CCCCC3)CC2)C1 ZINC000901415166 1129922887 /nfs/dbraw/zinc/92/28/87/1129922887.db2.gz HGYWLDXLFKLRLS-INIZCTEOSA-N 0 1 293.451 3.924 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(-c3ccsc3)cc2)CCN1C ZINC000769772758 1129923271 /nfs/dbraw/zinc/92/32/71/1129923271.db2.gz XSUWXDOKGGAAGR-CQSZACIVSA-N 0 1 286.444 3.551 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2ccnc(Cl)c2)c1 ZINC000769845920 1129928716 /nfs/dbraw/zinc/92/87/16/1129928716.db2.gz KAGGTQQTKKHMSI-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1C[C@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000901520571 1129933357 /nfs/dbraw/zinc/93/33/57/1129933357.db2.gz WVFQFSQVUPPUDI-QGPMSJSTSA-N 0 1 293.451 3.780 20 0 CHADMN Cc1nc2c(n1Cc1ccccc1CF)CCCC2 ZINC000901558261 1129936604 /nfs/dbraw/zinc/93/66/04/1129936604.db2.gz YSSYRDLAPNDIQC-UHFFFAOYSA-N 0 1 258.340 3.588 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@H](C)c1cccc(Cl)c1 ZINC000901596417 1129938523 /nfs/dbraw/zinc/93/85/23/1129938523.db2.gz VKINXINVMPZVNM-ZDUSSCGKSA-N 0 1 297.826 3.876 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1cc2cc(F)ccc2o1 ZINC000901594237 1129938545 /nfs/dbraw/zinc/93/85/45/1129938545.db2.gz XWCXRGKPPPTDIE-UHFFFAOYSA-N 0 1 293.338 3.505 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000901627012 1129939382 /nfs/dbraw/zinc/93/93/82/1129939382.db2.gz FHYLYALBAHKTSE-BMGDILEWSA-N 0 1 299.414 3.663 20 0 CHADMN CC1=C[C@H](C)C[C@@H](C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC000901629119 1129939703 /nfs/dbraw/zinc/93/97/03/1129939703.db2.gz WGGWFNTYAZERAV-JCKWVBRZSA-N 0 1 299.414 3.663 20 0 CHADMN CC1=C[C@@H](C)C[C@@H](C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000901646778 1129940631 /nfs/dbraw/zinc/94/06/31/1129940631.db2.gz UUSJQAXWFWGBHG-TZMCWYRMSA-N 0 1 285.387 3.693 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000901646510 1129940948 /nfs/dbraw/zinc/94/09/48/1129940948.db2.gz PKSJKUZNFSQWSC-GUYCJALGSA-N 0 1 285.387 3.693 20 0 CHADMN CCC[C@@H](C[N@H+]1CCC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000901697460 1129945425 /nfs/dbraw/zinc/94/54/25/1129945425.db2.gz FIKYZZSDALYROD-WMZOPIPTSA-N 0 1 289.419 3.757 20 0 CHADMN CCO[C@@H]1C[C@H](Nc2ccc(CN(C)C)c(F)c2)C1(C)C ZINC000770520341 1129950464 /nfs/dbraw/zinc/95/04/64/1129950464.db2.gz MVWVXWOCLQMFCX-JKSUJKDBSA-N 0 1 294.414 3.503 20 0 CHADMN C[C@@H]1CCC[C@@H](C[N@H+]2CCc3cccc(C(=O)[O-])c3C2)C1 ZINC000901778062 1129951821 /nfs/dbraw/zinc/95/18/21/1129951821.db2.gz KWCLHKCSWMHQPE-ZIAGYGMSSA-N 0 1 287.403 3.569 20 0 CHADMN CC(C)(C)SCCN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000801915967 1129958418 /nfs/dbraw/zinc/95/84/18/1129958418.db2.gz OLNSTXLNQFRFEZ-HNNXBMFYSA-N 0 1 297.464 3.792 20 0 CHADMN Cc1sccc1C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000901840521 1129959491 /nfs/dbraw/zinc/95/94/91/1129959491.db2.gz LWNYHBAJJPAPAC-UHFFFAOYSA-N 0 1 283.437 3.625 20 0 CHADMN Cc1csc(C(C)(C)NCCSC(C)(C)C)n1 ZINC000801933038 1129961138 /nfs/dbraw/zinc/96/11/38/1129961138.db2.gz GMXNEJPANWQYIV-UHFFFAOYSA-N 0 1 272.483 3.808 20 0 CHADMN CCCC1CCC(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC000901898712 1129964735 /nfs/dbraw/zinc/96/47/35/1129964735.db2.gz BTBLBAWCCMWCLN-YQEWQEHLSA-N 0 1 293.451 3.636 20 0 CHADMN CC1(C)CCC[C@@H](C[N@H+]2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)C1 ZINC000901914721 1129965180 /nfs/dbraw/zinc/96/51/80/1129965180.db2.gz SYYSSYLKQRZFFO-VKJFTORMSA-N 0 1 293.451 3.780 20 0 CHADMN Cc1csc(C)c1S(=O)(=O)Nc1ccsc1C ZINC000901944648 1129967527 /nfs/dbraw/zinc/96/75/27/1129967527.db2.gz LCYSETSWTOTVSE-UHFFFAOYSA-N 0 1 287.431 3.536 20 0 CHADMN CC(C)C[C@@H](C[N@@H+](CCC(=O)[O-])C1CC1)c1ccccc1 ZINC000901972144 1129968899 /nfs/dbraw/zinc/96/88/99/1129968899.db2.gz OFCBCVHTWKJDJJ-INIZCTEOSA-N 0 1 289.419 3.755 20 0 CHADMN CCCCCOc1ccc(C[N@@H+](CC(=O)[O-])C(C)C)cc1 ZINC000901977155 1129969075 /nfs/dbraw/zinc/96/90/75/1129969075.db2.gz NCHQMGAMVMYHJA-UHFFFAOYSA-N 0 1 293.407 3.551 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000901986980 1129969904 /nfs/dbraw/zinc/96/99/04/1129969904.db2.gz BZAQDGCCNDMSTI-BMGDILEWSA-N 0 1 299.414 3.663 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000902016484 1129971969 /nfs/dbraw/zinc/97/19/69/1129971969.db2.gz LEMNLCBYSXPPKH-BONVTDFDSA-N 0 1 295.810 3.642 20 0 CHADMN C[C@H](CCc1ccccc1)C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000902034750 1129973057 /nfs/dbraw/zinc/97/30/57/1129973057.db2.gz LAWWOQIIBLAFHT-WBVHZDCISA-N 0 1 289.419 3.585 20 0 CHADMN CCc1ccc([C@@H](NCc2cn(CC)cn2)C(C)C)cc1 ZINC000902043258 1129974143 /nfs/dbraw/zinc/97/41/43/1129974143.db2.gz WLNLZFFVRAQKOB-SFHVURJKSA-N 0 1 285.435 3.952 20 0 CHADMN CCC[C@@H](C)C[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000902047708 1129974712 /nfs/dbraw/zinc/97/47/12/1129974712.db2.gz QWUVLGYLGFPMRI-VNQPRFMTSA-N 0 1 275.392 3.713 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc(Cl)nc2)c(C)n1 ZINC000771385880 1129978492 /nfs/dbraw/zinc/97/84/92/1129978492.db2.gz UCYSKWRYWZILLP-NSHDSACASA-N 0 1 275.783 3.598 20 0 CHADMN CC(C)c1cnc(CN2CC[C@@H](C)C3(CCC3)C2)o1 ZINC000771464710 1129982878 /nfs/dbraw/zinc/98/28/78/1129982878.db2.gz REHFSFZMIWIBDA-CYBMUJFWSA-N 0 1 262.397 3.810 20 0 CHADMN CC(C)c1ocnc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000771506883 1129983238 /nfs/dbraw/zinc/98/32/38/1129983238.db2.gz XWWRBLAXKLYUOF-UHFFFAOYSA-N 0 1 298.701 3.548 20 0 CHADMN C[N@@H+](CCc1cccc2ccccc21)CCC(C)(C)C(=O)[O-] ZINC000902198421 1129987921 /nfs/dbraw/zinc/98/79/21/1129987921.db2.gz VYESACBYSYFEJH-UHFFFAOYSA-N 0 1 299.414 3.815 20 0 CHADMN CCn1cnc(CN[C@@H](C)c2csc3ccccc23)c1 ZINC000902214519 1129989732 /nfs/dbraw/zinc/98/97/32/1129989732.db2.gz WEDKXHZTOHFNIW-LBPRGKRZSA-N 0 1 285.416 3.969 20 0 CHADMN C[C@@H](NCc1nc2c(s1)CCC2)c1ccc2c(c1)CCC2 ZINC000771825176 1129990903 /nfs/dbraw/zinc/99/09/03/1129990903.db2.gz YPVFHBVXEDKELN-GFCCVEGCSA-N 0 1 298.455 3.971 20 0 CHADMN CNc1ccccc1CNCc1ccccc1OCC1CC1 ZINC000902261212 1129994104 /nfs/dbraw/zinc/99/41/04/1129994104.db2.gz LZURZWVHLINXKD-UHFFFAOYSA-N 0 1 296.414 3.807 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC000902260333 1129994303 /nfs/dbraw/zinc/99/43/03/1129994303.db2.gz WNARRMSZOPZFNF-HSBSLETESA-N 0 1 291.391 3.636 20 0 CHADMN Cc1cc(CN(C)CCOc2ccccc2)cnc1Cl ZINC000771928459 1129995261 /nfs/dbraw/zinc/99/52/61/1129995261.db2.gz HHOWFIQHIHMGQQ-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000902324685 1129999752 /nfs/dbraw/zinc/99/97/52/1129999752.db2.gz GUWQZSIKZHMWHM-HNNXBMFYSA-N 0 1 299.370 3.584 20 0 CHADMN Cc1cnc(CN2CCC(CC(C)C)CC2)s1 ZINC000772198443 1130012243 /nfs/dbraw/zinc/01/22/43/1130012243.db2.gz DYUOQUCQKUYAQC-UHFFFAOYSA-N 0 1 252.427 3.710 20 0 CHADMN CC(C)(C)C[C@H](NCc1csc(N)n1)c1ccccc1 ZINC000902487022 1130015409 /nfs/dbraw/zinc/01/54/09/1130015409.db2.gz ASYVBHMMIPFGKP-AWEZNQCLSA-N 0 1 289.448 3.992 20 0 CHADMN COc1ccc(-c2ccc3nc(C)[nH]c3c2)c(OC)c1 ZINC001239621021 1130016726 /nfs/dbraw/zinc/01/67/26/1130016726.db2.gz DRQJKFVMNKQZGN-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN CCn1cnc(CN[C@H]2c3ccccc3CC[C@H]2C(C)C)c1 ZINC000902490711 1130017543 /nfs/dbraw/zinc/01/75/43/1130017543.db2.gz URWGSOHGTPRUBJ-PKOBYXMFSA-N 0 1 297.446 3.952 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902519357 1130019774 /nfs/dbraw/zinc/01/97/74/1130019774.db2.gz WEWNZGRVHQXQQZ-IUTMOUAVSA-N 0 1 289.375 3.530 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000902530462 1130020962 /nfs/dbraw/zinc/02/09/62/1130020962.db2.gz RWDSNEMLQUARBD-QWHCGFSZSA-N 0 1 299.370 3.875 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)[C@H]1C ZINC000902531520 1130021021 /nfs/dbraw/zinc/02/10/21/1130021021.db2.gz UXPLXEVVUZEWLR-STQMWFEESA-N 0 1 298.386 3.553 20 0 CHADMN CCNc1ccccc1CNCc1ccc2c(n1)CCCC2 ZINC000902530875 1130021322 /nfs/dbraw/zinc/02/13/22/1130021322.db2.gz QUMDEHFAWHIHFD-UHFFFAOYSA-N 0 1 295.430 3.682 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)[C@H]1C ZINC000902531518 1130021431 /nfs/dbraw/zinc/02/14/31/1130021431.db2.gz UXPLXEVVUZEWLR-OLZOCXBDSA-N 0 1 298.386 3.553 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)[C@@H]1C ZINC000902531517 1130021452 /nfs/dbraw/zinc/02/14/52/1130021452.db2.gz UXPLXEVVUZEWLR-CHWSQXEVSA-N 0 1 298.386 3.553 20 0 CHADMN CCc1cc(CN[C@H](CC)c2cc(C)ccc2OC)n[nH]1 ZINC000772452990 1130022162 /nfs/dbraw/zinc/02/21/62/1130022162.db2.gz CGGWPRQUQOCDKJ-MRXNPFEDSA-N 0 1 287.407 3.530 20 0 CHADMN CCc1cc(CN[C@H](CC)c2cc(C)ccc2OC)[nH]n1 ZINC000772452990 1130022166 /nfs/dbraw/zinc/02/21/66/1130022166.db2.gz CGGWPRQUQOCDKJ-MRXNPFEDSA-N 0 1 287.407 3.530 20 0 CHADMN CC(=O)c1cccc(-c2cc3[nH]cnc3cc2C)c1 ZINC001239635726 1130026587 /nfs/dbraw/zinc/02/65/87/1130026587.db2.gz UIJUOEBJWQNBSR-UHFFFAOYSA-N 0 1 250.301 3.741 20 0 CHADMN CCn1cnc(CN[C@H]2CCc3cccc4cccc2c43)c1 ZINC000902651592 1130034395 /nfs/dbraw/zinc/03/43/95/1130034395.db2.gz GLXNRMTVKDVSBZ-SFHVURJKSA-N 0 1 291.398 3.833 20 0 CHADMN O=C1c2cccc3cccc(c23)N1CN1CC[C@@H]2CCC[C@@H]21 ZINC000902650454 1130034478 /nfs/dbraw/zinc/03/44/78/1130034478.db2.gz RESZZMLHAOZDFV-BBRMVZONSA-N 0 1 292.382 3.632 20 0 CHADMN CN(C)Cc1ccc(-c2cc(F)cc(F)c2)cc1F ZINC001239657982 1130036270 /nfs/dbraw/zinc/03/62/70/1130036270.db2.gz XCSIHVLKAXBSGH-UHFFFAOYSA-N 0 1 265.278 3.833 20 0 CHADMN COc1ccc(C(C)C)cc1-c1ccc(CN(C)C)cn1 ZINC001239659244 1130038790 /nfs/dbraw/zinc/03/87/90/1130038790.db2.gz VZTMNZDSOWMHMD-UHFFFAOYSA-N 0 1 284.403 3.942 20 0 CHADMN CC1(C)CN(Cc2cncc3ccccc32)CC(C)(C)O1 ZINC000785522505 1130039766 /nfs/dbraw/zinc/03/97/66/1130039766.db2.gz XESIBUDZZGWUKE-UHFFFAOYSA-N 0 1 284.403 3.624 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)C[C@@H]2NCc1ccco1 ZINC000902721261 1130043796 /nfs/dbraw/zinc/04/37/96/1130043796.db2.gz XAWAHGZMWKXVAQ-PXAZEXFGSA-N 0 1 271.360 3.701 20 0 CHADMN C[C@@H](NCc1ccccc1)c1ccc(C(F)(F)F)cn1 ZINC000902724221 1130044546 /nfs/dbraw/zinc/04/45/46/1130044546.db2.gz ZGNNQEUTKSXQPU-LLVKDONJSA-N 0 1 280.293 3.951 20 0 CHADMN [O-]c1cccc(-c2ncccc2C[NH+]2CCCC2)c1Cl ZINC001242799611 1130051507 /nfs/dbraw/zinc/05/15/07/1130051507.db2.gz UPSVAUXOONLFIY-UHFFFAOYSA-N 0 1 288.778 3.703 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)C1CCCCC1)c1cn(C)nn1 ZINC000902770392 1130055854 /nfs/dbraw/zinc/05/58/54/1130055854.db2.gz KVVWYNUQMTUYPG-KSSFIOAISA-N 0 1 298.434 3.787 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCC(C)(C)F ZINC000785923839 1130064739 /nfs/dbraw/zinc/06/47/39/1130064739.db2.gz JPXGDWDYZFAXOE-UHFFFAOYSA-N 0 1 290.338 3.598 20 0 CHADMN C[C@H](NCCC(F)(F)F)c1ccc(C(F)(F)F)cn1 ZINC000902835471 1130066907 /nfs/dbraw/zinc/06/69/07/1130066907.db2.gz HPYGNKBTIOBFAI-ZETCQYMHSA-N 0 1 286.219 3.703 20 0 CHADMN CCCn1cc([C@H](C)N[C@H]2c3ccccc3CC[C@H]2C)nn1 ZINC000902889466 1130078449 /nfs/dbraw/zinc/07/84/49/1130078449.db2.gz KAIBWYNRZYEBBK-QWQRMKEZSA-N 0 1 298.434 3.662 20 0 CHADMN Cc1cc(F)ccc1-c1cc(N2CCCC2)ccn1 ZINC001239735754 1130080471 /nfs/dbraw/zinc/08/04/71/1130080471.db2.gz ACQLEWVEDCCDAG-UHFFFAOYSA-N 0 1 256.324 3.796 20 0 CHADMN CCc1ccccc1-c1ccc2nc(C(=O)OC)[nH]c2c1 ZINC001239743460 1130084694 /nfs/dbraw/zinc/08/46/94/1130084694.db2.gz HUDRZNFIXJFBFP-UHFFFAOYSA-N 0 1 280.327 3.579 20 0 CHADMN CCOC(=O)c1cc2[nH]c(-c3ccccc3CC)ccc-2n1 ZINC001239742399 1130084812 /nfs/dbraw/zinc/08/48/12/1130084812.db2.gz NMFFMYFUUARFIL-UHFFFAOYSA-N 0 1 294.354 3.969 20 0 CHADMN CC(C)(C)OCc1cc(CN[C@@H]2C[C@H]3CCC[C@H]3C2)no1 ZINC000902960871 1130091850 /nfs/dbraw/zinc/09/18/50/1130091850.db2.gz ZDOZDUCGNGVPSP-BTTYYORXSA-N 0 1 292.423 3.658 20 0 CHADMN COc1ccc(C)cc1-c1cccc(CN(C)C)c1F ZINC001239770607 1130101604 /nfs/dbraw/zinc/10/16/04/1130101604.db2.gz YMSMCYQBKWHGKN-UHFFFAOYSA-N 0 1 273.351 3.871 20 0 CHADMN CC(C)Oc1ccc(CN[C@H](c2ccccn2)C2CC2)cn1 ZINC000903072924 1130109001 /nfs/dbraw/zinc/10/90/01/1130109001.db2.gz MLKUOTXGDZVGFC-SFHVURJKSA-N 0 1 297.402 3.505 20 0 CHADMN CC(C)C(N)=NOC/C=C/c1ccc(Cl)cc1 ZINC000786748488 1130114163 /nfs/dbraw/zinc/11/41/63/1130114163.db2.gz OCGUDKCLYWPTLQ-ONEGZZNKSA-N 0 1 252.745 3.508 20 0 CHADMN CCn1ccc2ccc(CN3C[C@@H](F)C[C@H]3C)cc21 ZINC001139119410 1130115343 /nfs/dbraw/zinc/11/53/43/1130115343.db2.gz OQFKXXKFWZGLKL-DOMZBBRYSA-N 0 1 260.356 3.594 20 0 CHADMN Cc1cscc1CN[C@H](C)c1cnn(CC2CCC2)c1 ZINC000903160307 1130121512 /nfs/dbraw/zinc/12/15/12/1130121512.db2.gz WFNICVSYSXFZMM-CYBMUJFWSA-N 0 1 289.448 3.904 20 0 CHADMN C[C@H](NCc1nccc2c1CCCC2)c1cccs1 ZINC000903185195 1130126000 /nfs/dbraw/zinc/12/60/00/1130126000.db2.gz QRPZMBXWQUXYPZ-LBPRGKRZSA-N 0 1 272.417 3.873 20 0 CHADMN COc1ccc(C2(N[C@@H](C)CCCC(C)C)COC2)cc1 ZINC001170068217 1130131755 /nfs/dbraw/zinc/13/17/55/1130131755.db2.gz GDKPTZQKHDYJRB-HNNXBMFYSA-N 0 1 291.435 3.725 20 0 CHADMN Cc1nc(F)ccc1CN1CCc2ccccc2[C@@H]1C ZINC000787156643 1130133432 /nfs/dbraw/zinc/13/34/32/1130133432.db2.gz GEWKVDOQKJLRFD-ZDUSSCGKSA-N 0 1 270.351 3.648 20 0 CHADMN CC(C)(CN[C@@H](c1ncc[nH]1)c1ccccc1)C1CC1 ZINC000903243886 1130134860 /nfs/dbraw/zinc/13/48/60/1130134860.db2.gz JZIYRRPLAMBWEL-OAHLLOKOSA-N 0 1 269.392 3.525 20 0 CHADMN Cc1nc(F)ccc1CN1CC=C(C(C)(C)C)CC1 ZINC000787206404 1130139694 /nfs/dbraw/zinc/13/96/94/1130139694.db2.gz SIQCXICTMMKJKG-UHFFFAOYSA-N 0 1 262.372 3.707 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2OC[C@@H]1F)C(C)(C)C(F)F ZINC000903266584 1130140166 /nfs/dbraw/zinc/14/01/66/1130140166.db2.gz PTYDJNYYEQUGGN-GAFUQQFSSA-N 0 1 287.325 3.728 20 0 CHADMN Clc1csc(CN2CCC([C@H]3CCOC3)CC2)c1 ZINC000787272652 1130143357 /nfs/dbraw/zinc/14/33/57/1130143357.db2.gz UQEDMDQSDOLJSW-LBPRGKRZSA-N 0 1 285.840 3.650 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1NCc1ncc(C(C)C)o1 ZINC000787306200 1130146348 /nfs/dbraw/zinc/14/63/48/1130146348.db2.gz KUBBUVLBACEONW-GXTWGEPZSA-N 0 1 282.453 3.952 20 0 CHADMN C[C@H](N[C@H]1C[C@H](c2ccc(F)cc2F)C1)c1ncco1 ZINC000903296014 1130148592 /nfs/dbraw/zinc/14/85/92/1130148592.db2.gz FLPBNWAJHOGGOO-NHCYSSNCSA-N 0 1 278.302 3.550 20 0 CHADMN CC(C)CNC(=O)c1ccc(-c2cccc3nc[nH]c32)cc1 ZINC001239912448 1130152217 /nfs/dbraw/zinc/15/22/17/1130152217.db2.gz YREICEPVXLDTBZ-UHFFFAOYSA-N 0 1 293.370 3.616 20 0 CHADMN Cc1ccc([C@@H](NCc2ccc3nonc3c2)C2CCC2)o1 ZINC000903327100 1130155833 /nfs/dbraw/zinc/15/58/33/1130155833.db2.gz XETIKCLZCWJDQL-KRWDZBQOSA-N 0 1 297.358 3.755 20 0 CHADMN Cc1cccnc1[C@H](N[C@H]1CCCn2nccc21)C(C)(C)C ZINC000903328103 1130156347 /nfs/dbraw/zinc/15/63/47/1130156347.db2.gz FLBUHLLXUDUXHU-YOEHRIQHSA-N 0 1 298.434 3.798 20 0 CHADMN COCc1cccc(-c2cc3nc[nH]c3cc2F)c1 ZINC001239938096 1130159835 /nfs/dbraw/zinc/15/98/35/1130159835.db2.gz ZEWBKUIJIHFQLD-UHFFFAOYSA-N 0 1 256.280 3.515 20 0 CHADMN Cn1ccc2cc(-c3nc[nH]c4nc(=S)sc3-4)ccc21 ZINC001239940407 1130161378 /nfs/dbraw/zinc/16/13/78/1130161378.db2.gz VLOQOLXMKLRVHT-UHFFFAOYSA-N 0 1 298.396 3.859 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@@H](c1ccccn1)C1CC1)CCC2 ZINC000903338738 1130161839 /nfs/dbraw/zinc/16/18/39/1130161839.db2.gz IXWLSEZUKDMQDL-HZPDHXFCSA-N 0 1 299.443 3.965 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2)C(C)(C)CO)c(C)o1 ZINC000787769214 1130163059 /nfs/dbraw/zinc/16/30/59/1130163059.db2.gz BYEAEQHQPYEEPI-QGZVFWFLSA-N 0 1 287.403 3.746 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H](C)COCC1CCCCC1 ZINC000903353347 1130165367 /nfs/dbraw/zinc/16/53/67/1130165367.db2.gz BYFAJEOQFOHWMK-GJZGRUSLSA-N 0 1 293.455 3.539 20 0 CHADMN FC(F)(F)COc1ccc(-c2ccc3nc[nH]c3c2)cn1 ZINC001239947597 1130165644 /nfs/dbraw/zinc/16/56/44/1130165644.db2.gz BLUBSQVCSQOHQH-UHFFFAOYSA-N 0 1 293.248 3.566 20 0 CHADMN C[C@@H](COCC1CCCCC1)N[C@@H](C)c1nccs1 ZINC000903353115 1130165657 /nfs/dbraw/zinc/16/56/57/1130165657.db2.gz BTTLRTRPGGJBGY-STQMWFEESA-N 0 1 282.453 3.779 20 0 CHADMN Cc1[nH]ncc1[C@@H](C)Nc1ccc(Cl)c(N(C)C)c1 ZINC000903357012 1130166304 /nfs/dbraw/zinc/16/63/04/1130166304.db2.gz IYUYAXHZGPLFLP-SECBINFHSA-N 0 1 278.787 3.611 20 0 CHADMN CC[C@@H](N[C@H](C)c1c[nH]nc1C)c1cc(F)ccc1OC ZINC000903371623 1130168392 /nfs/dbraw/zinc/16/83/92/1130168392.db2.gz TWQRGLWBLAVGHD-MEBBXXQBSA-N 0 1 291.370 3.668 20 0 CHADMN COCc1ccccc1-c1cccc2nc(C)[nH]c21 ZINC001239952917 1130168862 /nfs/dbraw/zinc/16/88/62/1130168862.db2.gz BZENYWFXRPVDPX-UHFFFAOYSA-N 0 1 252.317 3.685 20 0 CHADMN CO[C@@H]1CC[C@@H](N[C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000788061915 1130171233 /nfs/dbraw/zinc/17/12/33/1130171233.db2.gz HJWBDKMZNQGPSR-NWANDNLSSA-N 0 1 286.375 3.560 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc2ccccc21 ZINC000903407970 1130171847 /nfs/dbraw/zinc/17/18/47/1130171847.db2.gz BURVOAGTCINWSH-HNNXBMFYSA-N 0 1 291.778 3.788 20 0 CHADMN COC1(CN[C@H]2CCCc3oc(C)nc32)CCCCCC1 ZINC000903419035 1130174407 /nfs/dbraw/zinc/17/44/07/1130174407.db2.gz RCXJOORZDWYOLH-AWEZNQCLSA-N 0 1 292.423 3.689 20 0 CHADMN C[C@H](N[C@H](c1ccncc1)C1CC1)c1cc(O)cc(F)c1 ZINC000903427887 1130175685 /nfs/dbraw/zinc/17/56/85/1130175685.db2.gz AWDYUWDVUZNGAJ-GTNSWQLSSA-N 0 1 286.350 3.728 20 0 CHADMN C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1cn2ccccc2n1 ZINC000903428583 1130176093 /nfs/dbraw/zinc/17/60/93/1130176093.db2.gz PEDMJTYYUAVFNF-FZKQIMNGSA-N 0 1 292.386 3.531 20 0 CHADMN CC(C)Oc1cccc(-c2cc3[nH]nnc3cc2F)c1 ZINC001239968407 1130177570 /nfs/dbraw/zinc/17/75/70/1130177570.db2.gz QSLDOQOBLKEDMU-UHFFFAOYSA-N 0 1 271.295 3.551 20 0 CHADMN CCCCNC(=O)c1ccc(-c2cccc3nc[nH]c32)cc1 ZINC001239985524 1130181821 /nfs/dbraw/zinc/18/18/21/1130181821.db2.gz HVWMTHXEADLNIM-UHFFFAOYSA-N 0 1 293.370 3.760 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000903597537 1130183727 /nfs/dbraw/zinc/18/37/27/1130183727.db2.gz NVULCETVTGRVJK-YOEHRIQHSA-N 0 1 287.403 3.583 20 0 CHADMN CCSc1ccccc1C[N@@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000903601685 1130184304 /nfs/dbraw/zinc/18/43/04/1130184304.db2.gz MUFRWDAIIZVXKM-CQSZACIVSA-N 0 1 295.448 3.730 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCc2ccc(C(C)C)cc2C1 ZINC000903603441 1130184511 /nfs/dbraw/zinc/18/45/11/1130184511.db2.gz WDGRNEAUSYJCIQ-GUYCJALGSA-N 0 1 289.419 3.667 20 0 CHADMN CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])cc1 ZINC000903627563 1130184794 /nfs/dbraw/zinc/18/47/94/1130184794.db2.gz MMAXSJVQJOVHDE-ZFVVBOAOSA-N 0 1 287.403 3.524 20 0 CHADMN C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000903631143 1130185851 /nfs/dbraw/zinc/18/58/51/1130185851.db2.gz KMCHTAYVFMPYFF-CJNGLKHVSA-N 0 1 299.370 3.746 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903696460 1130190156 /nfs/dbraw/zinc/19/01/56/1130190156.db2.gz XHQSFSYMFRBJFP-HOCLYGCPSA-N 0 1 287.403 3.509 20 0 CHADMN CCCSC[C@H](C)N[C@@H]1COc2cc(F)cc(F)c21 ZINC001462084684 1130190789 /nfs/dbraw/zinc/19/07/89/1130190789.db2.gz GYBGZLDQKHBGOG-JOYOIKCWSA-N 0 1 287.375 3.520 20 0 CHADMN CC[C@@H](N[C@H]1CCc2ccc(Cl)nc21)c1ccncc1 ZINC000788608480 1130195521 /nfs/dbraw/zinc/19/55/21/1130195521.db2.gz GDCDADMUFIYZFW-KGLIPLIRSA-N 0 1 287.794 3.858 20 0 CHADMN COc1ccc(-c2cc3nc[nH]c3cc2C)c(F)c1 ZINC001240020770 1130196028 /nfs/dbraw/zinc/19/60/28/1130196028.db2.gz SRNLQPJUBHCLCJ-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CC[C@H](CSC)N[C@H]1COCc2cccc(Cl)c21 ZINC000788691276 1130200781 /nfs/dbraw/zinc/20/07/81/1130200781.db2.gz LMQGTUSTRGVZJH-YPMHNXCESA-N 0 1 285.840 3.643 20 0 CHADMN Cc1nc2c[nH]cc(-c3cc(F)cc4[nH]ccc43)c-2n1 ZINC001240036758 1130202840 /nfs/dbraw/zinc/20/28/40/1130202840.db2.gz NFCYQTJAKDZRGY-UHFFFAOYSA-N 0 1 266.279 3.554 20 0 CHADMN Cc1nc2c(cncc2-c2cc(F)cc3[nH]ccc32)[nH]1 ZINC001240036758 1130202843 /nfs/dbraw/zinc/20/28/43/1130202843.db2.gz NFCYQTJAKDZRGY-UHFFFAOYSA-N 0 1 266.279 3.554 20 0 CHADMN CC(C)CCC[C@H](C)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC001170088400 1130203802 /nfs/dbraw/zinc/20/38/02/1130203802.db2.gz RXHGSBHKESAPOI-INIZCTEOSA-N 0 1 296.499 3.782 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@@H](CCc2ccccc2)C(=O)[O-])CC1 ZINC000903893532 1130208185 /nfs/dbraw/zinc/20/81/85/1130208185.db2.gz FAYZNVRLVNGOBG-WBVHZDCISA-N 0 1 289.419 3.585 20 0 CHADMN C[C@@H](N[C@@H]1COCc2ccccc21)c1ccnc(Cl)c1 ZINC000788805012 1130208901 /nfs/dbraw/zinc/20/89/01/1130208901.db2.gz ZVDQEQOLIWNERL-IAQYHMDHSA-N 0 1 288.778 3.657 20 0 CHADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000903901352 1130210818 /nfs/dbraw/zinc/21/08/18/1130210818.db2.gz GZSAGRMPHUMGSU-CKUJCDMFSA-N 0 1 293.451 3.636 20 0 CHADMN Cc1ccc(C[N@@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]2C)c(C)c1 ZINC000903950599 1130211216 /nfs/dbraw/zinc/21/12/16/1130211216.db2.gz RCDFLLBOPQQBAK-IVSAIRAKSA-N 0 1 289.419 3.623 20 0 CHADMN Cc1cc(C)cc(C[N@@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]2C)c1 ZINC000903951632 1130211735 /nfs/dbraw/zinc/21/17/35/1130211735.db2.gz UBTITFOJNKYNJM-QSJFSLAZSA-N 0 1 289.419 3.623 20 0 CHADMN Cc1cccc(C2=CC[N@@H+](CCCCC(=O)[O-])CC2)c1C ZINC000903962445 1130213427 /nfs/dbraw/zinc/21/34/27/1130213427.db2.gz PMORFSXQIGXDBI-UHFFFAOYSA-N 0 1 287.403 3.647 20 0 CHADMN CC1CCC(C[N@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]2C)CC1 ZINC000903953280 1130213646 /nfs/dbraw/zinc/21/36/46/1130213646.db2.gz QFCQUWOWBLWBAG-SWEGCEMTSA-N 0 1 281.440 3.632 20 0 CHADMN O=C(c1ccccc1)c1ccc(-c2cc3[nH]cnc3cn2)cc1 ZINC001240134588 1130222032 /nfs/dbraw/zinc/22/20/32/1130222032.db2.gz AWSPFNSUIBYOEI-UHFFFAOYSA-N 0 1 299.333 3.856 20 0 CHADMN Cc1ncc2c(n1)CCC[C@@H]2N[C@H]1CCc2ccc(F)cc21 ZINC000748270857 1130226483 /nfs/dbraw/zinc/22/64/83/1130226483.db2.gz ZHFTWIKBDIKIFY-ROUUACIJSA-N 0 1 297.377 3.579 20 0 CHADMN C[C@H]1CC[C@H](n2c3cc(Cl)ccc3nc2CN)C1 ZINC001170098263 1130232157 /nfs/dbraw/zinc/23/21/57/1130232157.db2.gz PWPXWTIPVVUYRF-ONGXEEELSA-N 0 1 263.772 3.510 20 0 CHADMN C[C@@H]1CC[C@@H](CN2CCC[C@@H]2c2ccc(F)c(F)c2)O1 ZINC000789323421 1130243405 /nfs/dbraw/zinc/24/34/05/1130243405.db2.gz IKUVIVGOAGHHEM-PVXIVEMSSA-N 0 1 281.346 3.669 20 0 CHADMN C[C@@H]1CC[C@@H](NC2(c3ccc(C(F)(F)F)cc3)COC2)C1 ZINC001170104883 1130246970 /nfs/dbraw/zinc/24/69/70/1130246970.db2.gz NUAONPOIWSQROT-BXUZGUMPSA-N 0 1 299.336 3.709 20 0 CHADMN O[C@H](CN1CC[C@H]1c1ccccc1)c1cccc(Cl)c1 ZINC000748820895 1130248819 /nfs/dbraw/zinc/24/88/19/1130248819.db2.gz XJXXBSKJZMUXRH-DLBZAZTESA-N 0 1 287.790 3.820 20 0 CHADMN CC1(C)CN(C[C@H](O)c2ccccc2F)[C@H]1c1ccccc1 ZINC000748833673 1130250894 /nfs/dbraw/zinc/25/08/94/1130250894.db2.gz TXYAIQOKFVXJBJ-ROUUACIJSA-N 0 1 299.389 3.942 20 0 CHADMN Cc1cc(F)ccc1-c1cccc(CCN2CCOCC2)c1 ZINC001240265934 1130252328 /nfs/dbraw/zinc/25/23/28/1130252328.db2.gz NTOQIOYVBRRRKS-UHFFFAOYSA-N 0 1 299.389 3.676 20 0 CHADMN Cc1nc2ccc(-c3ccc(C(F)(F)F)nc3)cc2[nH]1 ZINC001240268182 1130253166 /nfs/dbraw/zinc/25/31/66/1130253166.db2.gz YHVUHGWWNWEHQW-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1ccc(C(F)(F)F)nc1 ZINC001240268279 1130253269 /nfs/dbraw/zinc/25/32/69/1130253269.db2.gz ASYKJFBTLSPLMP-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN COc1cccc([C@H](C)NCc2cc(C)oc2C)c1 ZINC000749130156 1130267405 /nfs/dbraw/zinc/26/74/05/1130267405.db2.gz XEJQOUVTUABGLF-LBPRGKRZSA-N 0 1 259.349 3.756 20 0 CHADMN FC(F)(F)c1cc(-c2cc3[nH]ccc3cn2)ccn1 ZINC001240334768 1130267906 /nfs/dbraw/zinc/26/79/06/1130267906.db2.gz JLAKVLMBIZAPPC-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN COc1ccc(Cl)c(C[N@H+]2CCC[C@@H]2C(C)(C)OC)c1 ZINC001137265098 1130271188 /nfs/dbraw/zinc/27/11/88/1130271188.db2.gz MVIZLDOUVBAWKN-OAHLLOKOSA-N 0 1 297.826 3.738 20 0 CHADMN Cc1nc([C@@H](C)NCCOc2ccc(C)cc2)c(C)s1 ZINC000676839628 1130272725 /nfs/dbraw/zinc/27/27/25/1130272725.db2.gz OJGPUHGAPDUCOA-GFCCVEGCSA-N 0 1 290.432 3.798 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CCC[C@H](C2CC2)C1 ZINC000677040308 1130282852 /nfs/dbraw/zinc/28/28/52/1130282852.db2.gz KMZSJFYBANJHLN-AAEUAGOBSA-N 0 1 277.412 3.550 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CCC[C@H](C2CC2)C1 ZINC000677040311 1130283215 /nfs/dbraw/zinc/28/32/15/1130283215.db2.gz KMZSJFYBANJHLN-YPMHNXCESA-N 0 1 277.412 3.550 20 0 CHADMN Fc1cc(C2=CCCN(Cc3ccccc3)C2)cnc1F ZINC001240387378 1130286461 /nfs/dbraw/zinc/28/64/61/1130286461.db2.gz OHIZYHJKQASONI-UHFFFAOYSA-N 0 1 286.325 3.649 20 0 CHADMN C[C@H]1CC[C@@H](N(Cc2ccccn2)Cc2ccccn2)C1 ZINC001170125999 1130287070 /nfs/dbraw/zinc/28/70/70/1130287070.db2.gz QRLUBXQDTFREEJ-MAUKXSAKSA-N 0 1 281.403 3.667 20 0 CHADMN C[C@H]1CCC[C@]1(C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000826848568 1130289937 /nfs/dbraw/zinc/28/99/37/1130289937.db2.gz VWPPQKZGQUVDMO-SJCJKPOMSA-N 0 1 292.398 3.652 20 0 CHADMN Cc1nc(CN2CCC(c3ccccn3)CC2)sc1C ZINC000677188318 1130295809 /nfs/dbraw/zinc/29/58/09/1130295809.db2.gz YYHQMFADMLYOKF-UHFFFAOYSA-N 0 1 287.432 3.535 20 0 CHADMN Cc1ccc2c(c1)N(C(=O)c1c(O)cccc1Cl)CC2 ZINC000746889565 1130303111 /nfs/dbraw/zinc/30/31/11/1130303111.db2.gz PMFWPMCSAYGAFP-UHFFFAOYSA-N 0 1 287.746 3.557 20 0 CHADMN CC(=O)[C@H]1CCCN(Cc2scc(C)c2Cl)C1 ZINC001137292673 1130305807 /nfs/dbraw/zinc/30/58/07/1130305807.db2.gz KFNCUVSKZAKMSX-NSHDSACASA-N 0 1 271.813 3.511 20 0 CHADMN Cc1nc(F)ccc1CN1CCC(c2ccco2)CC1 ZINC000826877965 1130306168 /nfs/dbraw/zinc/30/61/68/1130306168.db2.gz PJPMTTPNVGBCLK-UHFFFAOYSA-N 0 1 274.339 3.502 20 0 CHADMN CCO[C@@H]1CCCN(Cc2scc(C)c2Cl)C1 ZINC001137291014 1130306264 /nfs/dbraw/zinc/30/62/64/1130306264.db2.gz APWFBSHNYNIHHM-LLVKDONJSA-N 0 1 273.829 3.711 20 0 CHADMN COc1ccc(-c2cc(CN3CC=C(C)CC3)on2)cc1 ZINC000677379570 1130309067 /nfs/dbraw/zinc/30/90/67/1130309067.db2.gz CFHRHVCAQSEWMM-UHFFFAOYSA-N 0 1 284.359 3.502 20 0 CHADMN Cc1ccc(-c2cc(CN3CC[C@H](C(F)F)C3)on2)cc1 ZINC000677735386 1130325804 /nfs/dbraw/zinc/32/58/04/1130325804.db2.gz ZLDTYRAYZOMMSD-ZDUSSCGKSA-N 0 1 292.329 3.737 20 0 CHADMN CCn1nccc1CN[C@H](c1ccc(F)c(F)c1)C(C)C ZINC000677751995 1130328214 /nfs/dbraw/zinc/32/82/14/1130328214.db2.gz DRCUJRHPDGUBEF-INIZCTEOSA-N 0 1 293.361 3.668 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](C)c2cnn(C(C)C)c2)s1 ZINC000677756342 1130329549 /nfs/dbraw/zinc/32/95/49/1130329549.db2.gz UOXDZYKCHPLEDJ-WDEREUQCSA-N 0 1 278.425 3.641 20 0 CHADMN Cc1nc(C2(NC[C@H]3C[C@H]3c3ccccc3)CCCC2)no1 ZINC000678074494 1130347117 /nfs/dbraw/zinc/34/71/17/1130347117.db2.gz CWIHDDIVAOMEPF-CVEARBPZSA-N 0 1 297.402 3.541 20 0 CHADMN c1cc2c(ccnc2-c2cccc(N3CCCC3)c2)[nH]1 ZINC001240533390 1130347416 /nfs/dbraw/zinc/34/74/16/1130347416.db2.gz MNQOLZKEGXOMDH-UHFFFAOYSA-N 0 1 263.344 3.830 20 0 CHADMN Clc1ccccc1NCc1[nH]nc2ccccc21 ZINC000678076938 1130347946 /nfs/dbraw/zinc/34/79/46/1130347946.db2.gz YFOHLAXQDITAHJ-UHFFFAOYSA-N 0 1 257.724 3.828 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C=Cc1cccc(F)c1 ZINC000791057155 1130348957 /nfs/dbraw/zinc/34/89/57/1130348957.db2.gz MGUSVYYONRJXDZ-WAYWQWQTSA-N 0 1 295.317 3.662 20 0 CHADMN CN(Cc1ccc(Cl)s1)Cc1[nH]nc2ccccc21 ZINC000678125260 1130353897 /nfs/dbraw/zinc/35/38/97/1130353897.db2.gz SEVCJIHDXUIKRC-UHFFFAOYSA-N 0 1 291.807 3.910 20 0 CHADMN c1cc2c(s1)CCN(Cc1nccc3ccccc31)C2 ZINC000678130749 1130353981 /nfs/dbraw/zinc/35/39/81/1130353981.db2.gz JFOCPJNKAYOTQC-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN O=C(c1ccc([O-])cc1)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000678130105 1130355841 /nfs/dbraw/zinc/35/58/41/1130355841.db2.gz OOEHSQXSKGGJNT-OAHLLOKOSA-N 0 1 299.414 3.643 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1nn(C)c2ccccc12 ZINC000678125832 1130356037 /nfs/dbraw/zinc/35/60/37/1130356037.db2.gz SHCRLCHTBKZNAJ-AWEZNQCLSA-N 0 1 279.387 3.766 20 0 CHADMN CCOc1c(CN(C)CCC(C)C)c(C)nn1CC(C)C ZINC000678137176 1130356564 /nfs/dbraw/zinc/35/65/64/1130356564.db2.gz LWEQWEGVFZPADP-UHFFFAOYSA-N 0 1 295.471 3.724 20 0 CHADMN CCN(Cc1nn(C)c2ccccc12)Cc1ccc(C)cc1 ZINC000678139943 1130357056 /nfs/dbraw/zinc/35/70/56/1130357056.db2.gz FZWGJZHJPQLABF-UHFFFAOYSA-N 0 1 293.414 3.904 20 0 CHADMN c1cc(-c2cccc(-c3cccc4nc[nH]c43)c2)n[nH]1 ZINC001240560206 1130358951 /nfs/dbraw/zinc/35/89/51/1130358951.db2.gz MZGYOFBSBPHERC-UHFFFAOYSA-N 0 1 260.300 3.620 20 0 CHADMN C[C@@H]1CC[C@@H](N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC001170151246 1130360098 /nfs/dbraw/zinc/36/00/98/1130360098.db2.gz GFJPABGVNMAFLE-ZWNOBZJWSA-N 0 1 284.325 3.647 20 0 CHADMN C[C@@H]1CO[C@H](C(F)(F)F)CN1CC1CCCCCC1 ZINC001170151402 1130361648 /nfs/dbraw/zinc/36/16/48/1130361648.db2.gz WBJFNYXTZWHDOX-YPMHNXCESA-N 0 1 279.346 3.608 20 0 CHADMN C[C@H]1CCC[C@@H](CNc2cnn(-c3ccncc3)c2)C1 ZINC000678156042 1130363249 /nfs/dbraw/zinc/36/32/49/1130363249.db2.gz NULAHUPQIIRUEG-UONOGXRCSA-N 0 1 270.380 3.506 20 0 CHADMN c1ccc2c(c1)ccnc2CN1CCOc2ccccc2C1 ZINC000678196029 1130367973 /nfs/dbraw/zinc/36/79/73/1130367973.db2.gz JVAVHGXALNNIKX-UHFFFAOYSA-N 0 1 290.366 3.629 20 0 CHADMN Cc1nc([C@@H]2CCCCN2CC2CCCCCC2)no1 ZINC000678201138 1130370697 /nfs/dbraw/zinc/37/06/97/1130370697.db2.gz NPWMITWRTXJIJY-HNNXBMFYSA-N 0 1 277.412 3.875 20 0 CHADMN Cc1nc2ccc(-c3ccc(N4CCCCC4)nc3)cc2[nH]1 ZINC001240583635 1130372694 /nfs/dbraw/zinc/37/26/94/1130372694.db2.gz FIBUFEQJEPEPSD-UHFFFAOYSA-N 0 1 292.386 3.924 20 0 CHADMN CCc1noc(CN(C)[C@@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000678235735 1130376118 /nfs/dbraw/zinc/37/61/18/1130376118.db2.gz OJHVFKXGEHKPIT-JKSUJKDBSA-N 0 1 299.418 3.790 20 0 CHADMN Cc1cc(F)cc(-c2cc(N3CCCC3)ccn2)c1 ZINC001240593106 1130377764 /nfs/dbraw/zinc/37/77/64/1130377764.db2.gz LAXCNTPMXVYPRL-UHFFFAOYSA-N 0 1 256.324 3.796 20 0 CHADMN CCn1c(CN2CC[C@@H](c3ccco3)C2)nc2ccccc21 ZINC000678262477 1130382794 /nfs/dbraw/zinc/38/27/94/1130382794.db2.gz RDXKNOSCVXZTSP-CQSZACIVSA-N 0 1 295.386 3.639 20 0 CHADMN Cc1ncsc1CN1CCS[C@H](c2ccccc2)C1 ZINC000678268074 1130383680 /nfs/dbraw/zinc/38/36/80/1130383680.db2.gz WBRJZCAUJBXGHE-HNNXBMFYSA-N 0 1 290.457 3.742 20 0 CHADMN Oc1ccc(-c2ccc(-c3cccc4[nH]nnc43)cc2)cc1 ZINC001240608593 1130384883 /nfs/dbraw/zinc/38/48/83/1130384883.db2.gz LAELJJJQBMTEOT-UHFFFAOYSA-N 0 1 287.322 3.998 20 0 CHADMN C/C=C/CN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000791636538 1130389137 /nfs/dbraw/zinc/38/91/37/1130389137.db2.gz DHYZJTVRLLKUIJ-REMYHPOOSA-N 0 1 252.361 3.645 20 0 CHADMN CCCn1nc(C)c(CN2C3CCCC2CCC3)c1C ZINC000678281878 1130390162 /nfs/dbraw/zinc/39/01/62/1130390162.db2.gz UQMMNUMCPDDFQC-UHFFFAOYSA-N 0 1 275.440 3.817 20 0 CHADMN C[C@H]1CCN(Cc2ccc(N(C)C)nc2)[C@H](c2ccco2)C1 ZINC000678285821 1130393062 /nfs/dbraw/zinc/39/30/62/1130393062.db2.gz HXLYQBAOYUKXMA-HOCLYGCPSA-N 0 1 299.418 3.714 20 0 CHADMN Cc1cc(C)c(CN2CCSc3ccccc3C2)[nH]1 ZINC001137332276 1130397755 /nfs/dbraw/zinc/39/77/55/1130397755.db2.gz NZVZHGQGABBKJQ-UHFFFAOYSA-N 0 1 272.417 3.739 20 0 CHADMN CC(C)=C[C@@H]1[C@H](C(=O)Nc2c(C)n[nH]c2C(F)F)C1(C)C ZINC000678346441 1130404608 /nfs/dbraw/zinc/40/46/08/1130404608.db2.gz CZWRZDYOMUQDGS-NXEZZACHSA-N 0 1 297.349 3.833 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1cc(-c2ccccc2)n[nH]1 ZINC000678362113 1130408516 /nfs/dbraw/zinc/40/85/16/1130408516.db2.gz RSCDTZAITORVKE-CQSZACIVSA-N 0 1 292.386 3.631 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc(OC(C)C)nc2)c(C)n1 ZINC000678414961 1130413026 /nfs/dbraw/zinc/41/30/26/1130413026.db2.gz WZQKVAAFIZCHLS-AWEZNQCLSA-N 0 1 299.418 3.731 20 0 CHADMN CCC[C@H](N[C@H](C)c1cccnc1)c1ccccn1 ZINC000678424100 1130415532 /nfs/dbraw/zinc/41/55/32/1130415532.db2.gz NUCWIDKYGRJIOS-CJNGLKHVSA-N 0 1 255.365 3.669 20 0 CHADMN Cc1ccc2nc(CN[C@H](C)c3ccc(C)nc3C)[nH]c2c1 ZINC000678428963 1130415966 /nfs/dbraw/zinc/41/59/66/1130415966.db2.gz TXQJEUBTOSVMAY-CYBMUJFWSA-N 0 1 294.402 3.734 20 0 CHADMN CC(C)[C@@H]1C[C@H](Nc2ccnc3cc(F)ccc32)CCO1 ZINC000678483926 1130420748 /nfs/dbraw/zinc/42/07/48/1130420748.db2.gz JGGTXCHTAXDIQN-DYVFJYSZSA-N 0 1 288.366 3.989 20 0 CHADMN [O-]c1ccc(F)cc1-c1cc(C[NH+]2CCCCC2)ccn1 ZINC001240693822 1130421079 /nfs/dbraw/zinc/42/10/79/1130421079.db2.gz ISISDXRWSBGBMT-UHFFFAOYSA-N 0 1 286.350 3.579 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H](C)c1cnccc1C ZINC000678543764 1130426550 /nfs/dbraw/zinc/42/65/50/1130426550.db2.gz JCANWJIPRSENFJ-KBPBESRZSA-N 0 1 255.365 3.505 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(C)nc1C)CO2 ZINC000678597116 1130435932 /nfs/dbraw/zinc/43/59/32/1130435932.db2.gz ZNEWDHQGYHTUEU-WMLDXEAASA-N 0 1 282.387 3.791 20 0 CHADMN COc1c(F)ccc(F)c1-c1ccc(F)c(CN(C)C)c1 ZINC001240726308 1130441099 /nfs/dbraw/zinc/44/10/99/1130441099.db2.gz KYIRLBFRJJNKGJ-UHFFFAOYSA-N 0 1 295.304 3.841 20 0 CHADMN Cc1ncccc1CN(C)Cc1c[nH]c2ccc(F)cc12 ZINC001137342969 1130445081 /nfs/dbraw/zinc/44/50/81/1130445081.db2.gz UXWTYQBPKJJWCU-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN CN1CCc2c(F)cc(-c3ccncc3Cl)cc2C1 ZINC001243388619 1130445341 /nfs/dbraw/zinc/44/53/41/1130445341.db2.gz RZVIVUMFFAWABZ-UHFFFAOYSA-N 0 1 276.742 3.529 20 0 CHADMN COc1ccccc1[C@H](C)[N@@H+](C)Cc1[nH]nc2ccccc21 ZINC001137349770 1130451907 /nfs/dbraw/zinc/45/19/07/1130451907.db2.gz JXGAYRIZKDRBBC-ZDUSSCGKSA-N 0 1 295.386 3.765 20 0 CHADMN CC(C)Cn1ccnc1CN[C@H]1c2ccccc2CC[C@@H]1C ZINC000678771641 1130452136 /nfs/dbraw/zinc/45/21/36/1130452136.db2.gz WQMNJNTWFNOAOU-HNAYVOBHSA-N 0 1 297.446 3.952 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1NCc1ncccc1F ZINC000678773879 1130453346 /nfs/dbraw/zinc/45/33/46/1130453346.db2.gz BVWJDCLTOKXGHE-SJKOYZFVSA-N 0 1 270.351 3.634 20 0 CHADMN CCc1nn(C)cc1CN(Cc1cccc(F)c1)C(C)C ZINC000678814106 1130459786 /nfs/dbraw/zinc/45/97/86/1130459786.db2.gz XURLITLZHSGTKK-UHFFFAOYSA-N 0 1 289.398 3.532 20 0 CHADMN CC1(C)CN(Cc2cccc3nccn32)[C@@H]1c1ccccc1 ZINC000678818111 1130459865 /nfs/dbraw/zinc/45/98/65/1130459865.db2.gz COHRUNUQOPVFIA-GOSISDBHSA-N 0 1 291.398 3.917 20 0 CHADMN Cc1nc2c[nH]cc(-c3ccc(C(F)F)cc3)c-2n1 ZINC001240770385 1130463172 /nfs/dbraw/zinc/46/31/72/1130463172.db2.gz XERVTUVVTPDNTP-UHFFFAOYSA-N 0 1 259.259 3.871 20 0 CHADMN Cc1nc2c(cncc2-c2ccc(C(F)F)cc2)[nH]1 ZINC001240770385 1130463174 /nfs/dbraw/zinc/46/31/74/1130463174.db2.gz XERVTUVVTPDNTP-UHFFFAOYSA-N 0 1 259.259 3.871 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1ccc2c(c1)CCCO2 ZINC001240774181 1130466684 /nfs/dbraw/zinc/46/66/84/1130466684.db2.gz BJCYHOUXMKORGQ-UHFFFAOYSA-N 0 1 268.291 3.694 20 0 CHADMN FC(F)Oc1cccc(Cl)c1CN[C@@H]1CCSC1 ZINC000678993615 1130480098 /nfs/dbraw/zinc/48/00/98/1130480098.db2.gz JPAVWGCTPJSKGJ-MRVPVSSYSA-N 0 1 293.766 3.537 20 0 CHADMN CCC1CCN(Cc2nc3c(s2)CCCC3)CC1 ZINC000678972676 1130480139 /nfs/dbraw/zinc/48/01/39/1130480139.db2.gz UQFLYHGGQOAGQA-UHFFFAOYSA-N 0 1 264.438 3.644 20 0 CHADMN c1coc([C@H]2CC[N@H+](Cc3nc4c(s3)CCCC4)C2)c1 ZINC000678987628 1130480233 /nfs/dbraw/zinc/48/02/33/1130480233.db2.gz GVLFZOQFAKSWEU-LBPRGKRZSA-N 0 1 288.416 3.604 20 0 CHADMN c1coc([C@H]2CCN(Cc3nc4c(s3)CCCC4)C2)c1 ZINC000678987628 1130480235 /nfs/dbraw/zinc/48/02/35/1130480235.db2.gz GVLFZOQFAKSWEU-LBPRGKRZSA-N 0 1 288.416 3.604 20 0 CHADMN CC1(C)CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000678972257 1130480247 /nfs/dbraw/zinc/48/02/47/1130480247.db2.gz YVVIMBNEGKTQRR-UHFFFAOYSA-N 0 1 264.438 3.644 20 0 CHADMN CC(C)Oc1ccc(-c2ccc(F)c(CN(C)C)c2)cn1 ZINC001240810289 1130483244 /nfs/dbraw/zinc/48/32/44/1130483244.db2.gz PSHJBZKHUJITHJ-UHFFFAOYSA-N 0 1 288.366 3.737 20 0 CHADMN C[C@@H](NC1CC(c2ccc(F)cc2)C1)c1cscn1 ZINC000679042548 1130486413 /nfs/dbraw/zinc/48/64/13/1130486413.db2.gz OYLDHMASKLXRSJ-PWQPVHBWSA-N 0 1 276.380 3.879 20 0 CHADMN CC[C@H](CSc1ccc(Cl)cc1)NCc1cocn1 ZINC000679051704 1130488704 /nfs/dbraw/zinc/48/87/04/1130488704.db2.gz YGCCSZUOKSCANT-GFCCVEGCSA-N 0 1 296.823 3.989 20 0 CHADMN CC(C)c1ccc(-c2ccc(N3CCN(C)CC3)cc2)cn1 ZINC001240855531 1130493423 /nfs/dbraw/zinc/49/34/23/1130493423.db2.gz UPIAUCZUCXQHGX-UHFFFAOYSA-N 0 1 295.430 3.624 20 0 CHADMN Cc1ccc(-c2ccc(N3CCN(C)CC3)cc2)c(F)c1 ZINC001240852231 1130493446 /nfs/dbraw/zinc/49/34/46/1130493446.db2.gz PAUJUWOYDRMNRU-UHFFFAOYSA-N 0 1 284.378 3.553 20 0 CHADMN Cc1ccc([C@H](C)Nc2cnn(-c3ccncc3)c2)cc1 ZINC000679125817 1130495467 /nfs/dbraw/zinc/49/54/67/1130495467.db2.gz BDDSMHPPCUCEMG-AWEZNQCLSA-N 0 1 278.359 3.749 20 0 CHADMN c1nn(-c2ccncc2)cc1N[C@@H]1CCCc2ccccc21 ZINC000679126392 1130495667 /nfs/dbraw/zinc/49/56/67/1130495667.db2.gz GCMHUJPCRBOPGV-GOSISDBHSA-N 0 1 290.370 3.757 20 0 CHADMN CC[C@H](Nc1cnn(-c2ccncc2)c1)c1cccs1 ZINC000679125165 1130495726 /nfs/dbraw/zinc/49/57/26/1130495726.db2.gz DLNICHCVRKEFRS-AWEZNQCLSA-N 0 1 284.388 3.892 20 0 CHADMN CC(C)[C@@H]1CCCC[C@@H]1Nc1cnn(-c2ccncc2)c1 ZINC000679125141 1130495971 /nfs/dbraw/zinc/49/59/71/1130495971.db2.gz BFYXEJALMJHEJJ-IRXDYDNUSA-N 0 1 284.407 3.894 20 0 CHADMN CCc1ccc([C@@H](C)Nc2cnn(-c3ccncc3)c2)o1 ZINC000679128600 1130496053 /nfs/dbraw/zinc/49/60/53/1130496053.db2.gz WZWVOXFMUGAOTL-GFCCVEGCSA-N 0 1 282.347 3.596 20 0 CHADMN C[C@H](Nc1cnn(-c2ccncc2)c1)c1ccsc1 ZINC000679128628 1130496494 /nfs/dbraw/zinc/49/64/94/1130496494.db2.gz XOFAJVIPRJLTCS-NSHDSACASA-N 0 1 270.361 3.502 20 0 CHADMN C[C@@H]1CCN(c2ccnc3cc(F)ccc32)C[C@@H]1F ZINC000679192085 1130500828 /nfs/dbraw/zinc/50/08/28/1130500828.db2.gz KBLIBRNOBFFIJM-MFKMUULPSA-N 0 1 262.303 3.558 20 0 CHADMN O[C@H](C[C@H]1CCCCC[N@H+]1CC1(F)CC1)c1cccs1 ZINC000792843390 1130502749 /nfs/dbraw/zinc/50/27/49/1130502749.db2.gz NCHQMZWQHXXPAN-ZIAGYGMSSA-N 0 1 297.439 3.918 20 0 CHADMN Cc1nonc1CN(CC(C)C)[C@@H](C)c1ccccc1C ZINC000792926749 1130507646 /nfs/dbraw/zinc/50/76/46/1130507646.db2.gz NZPMDUIBZNMVOY-HNNXBMFYSA-N 0 1 287.407 3.906 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1ccc2ccccc2c1 ZINC001240909460 1130511312 /nfs/dbraw/zinc/51/13/12/1130511312.db2.gz GRYGGDRKHZNZBV-UHFFFAOYSA-N 0 1 263.275 3.917 20 0 CHADMN CC(C)[C@H]1N(C[C@@H](O)c2c(F)cccc2F)CC12CCC2 ZINC000793005881 1130511630 /nfs/dbraw/zinc/51/16/30/1130511630.db2.gz ZWKVGMONPLNRMF-GDBMZVCRSA-N 0 1 295.373 3.509 20 0 CHADMN Cc1ccccc1[C@@H](O)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000792999743 1130512167 /nfs/dbraw/zinc/51/21/67/1130512167.db2.gz NTEDPSCICKIFCW-ROUUACIJSA-N 0 1 296.414 3.507 20 0 CHADMN C[C@@H](c1ccccc1Br)N1CC=CCC1 ZINC000679322825 1130514642 /nfs/dbraw/zinc/51/46/42/1130514642.db2.gz OPSFQFFHFLVGJI-NSHDSACASA-N 0 1 266.182 3.772 20 0 CHADMN Cc1c2ccccc2oc1[C@H](NCc1ccnn1C)C(C)C ZINC000747100339 1130517321 /nfs/dbraw/zinc/51/73/21/1130517321.db2.gz XSAVQZFQDUUAEM-QGZVFWFLSA-N 0 1 297.402 3.962 20 0 CHADMN COc1ccc(-c2cccc3nc(C)[nH]c32)c(OC)c1OC ZINC001240932636 1130522306 /nfs/dbraw/zinc/52/23/06/1130522306.db2.gz QZZKNCVAOOYNEX-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN Cc1cc(Br)cc(CN2[C@H](C)C[C@H]2C)c1 ZINC000793227875 1130531592 /nfs/dbraw/zinc/53/15/92/1130531592.db2.gz IJYYZMNJRHXKJF-GHMZBOCLSA-N 0 1 268.198 3.740 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000679536934 1130538322 /nfs/dbraw/zinc/53/83/22/1130538322.db2.gz QWHWGJZYRSRABO-ZIAGYGMSSA-N 0 1 295.373 3.603 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@@H](C)c1cnccc1C ZINC000679575745 1130541207 /nfs/dbraw/zinc/54/12/07/1130541207.db2.gz SZRAOCWUSMXLIT-KBPBESRZSA-N 0 1 269.392 3.759 20 0 CHADMN COCC[C@H](N[C@H](C)c1ccc(C)nc1C)c1ccco1 ZINC000679575373 1130541236 /nfs/dbraw/zinc/54/12/36/1130541236.db2.gz OQHRUMFANKTPIW-ZBFHGGJFSA-N 0 1 288.391 3.720 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1ccc2occc(=O)c2c1 ZINC001240968749 1130542807 /nfs/dbraw/zinc/54/28/07/1130542807.db2.gz VBGPDKHYKLJXON-UHFFFAOYSA-N 0 1 276.295 3.645 20 0 CHADMN C(=C\[C@@H]1CCCN1Cc1cncs1)\c1ccccc1 ZINC000679583092 1130543092 /nfs/dbraw/zinc/54/30/92/1130543092.db2.gz OXWLLALRBYRDTB-CDNLZTBQSA-N 0 1 270.401 3.821 20 0 CHADMN COc1ccccc1CN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679584057 1130543377 /nfs/dbraw/zinc/54/33/77/1130543377.db2.gz KFFFRXGAUYLQCI-AAEUAGOBSA-N 0 1 287.325 3.858 20 0 CHADMN Cc1ncccc1CN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679583818 1130544151 /nfs/dbraw/zinc/54/41/51/1130544151.db2.gz JRROQGIBDKBEDB-GWCFXTLKSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN2CCC(F)(F)CC2)cc1 ZINC000793361059 1130545103 /nfs/dbraw/zinc/54/51/03/1130545103.db2.gz CCCWGJOQKJVZTO-UHFFFAOYSA-N 0 1 291.345 3.616 20 0 CHADMN FC(F)(F)Oc1cccc(CN2CCC(F)(F)CC2)c1 ZINC000793361796 1130545632 /nfs/dbraw/zinc/54/56/32/1130545632.db2.gz LURGJIXIRBGXNT-UHFFFAOYSA-N 0 1 295.251 3.816 20 0 CHADMN CCOc1ccc([C@@H](NC2CSC2)c2ccccc2)cc1 ZINC000679626975 1130546544 /nfs/dbraw/zinc/54/65/44/1130546544.db2.gz CFMNSQQRRFMHOY-SFHVURJKSA-N 0 1 299.439 3.880 20 0 CHADMN CCCCN(C)Cc1cc(C)ccc1Br ZINC001137380346 1130547106 /nfs/dbraw/zinc/54/71/06/1130547106.db2.gz IIGXEJFJWBJJRD-UHFFFAOYSA-N 0 1 270.214 3.989 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1cc(F)c(F)c(F)c1 ZINC001240981810 1130549566 /nfs/dbraw/zinc/54/95/66/1130549566.db2.gz RHOYQGYBAMFDSH-UHFFFAOYSA-N 0 1 266.197 3.786 20 0 CHADMN FC1(F)CCN(Cc2ccccc2N2CCCCC2)CC1 ZINC000793351219 1130549624 /nfs/dbraw/zinc/54/96/24/1130549624.db2.gz DEXNKDHFUQMGJU-UHFFFAOYSA-N 0 1 294.389 3.908 20 0 CHADMN Cc1nc2ccc(-c3cccc(N(C)C)c3)cc2[nH]1 ZINC001240984820 1130551326 /nfs/dbraw/zinc/55/13/26/1130551326.db2.gz BWXAMGCEKOXERR-UHFFFAOYSA-N 0 1 251.333 3.604 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)N1CCC[C@@H](OC(F)F)C1 ZINC000679685619 1130551951 /nfs/dbraw/zinc/55/19/51/1130551951.db2.gz ZXJJGCFIECPDQH-KGLIPLIRSA-N 0 1 287.325 3.980 20 0 CHADMN Fc1ccc2oc(CN3CCC[C@@H](OC(F)F)C3)cc2c1 ZINC000679741653 1130555028 /nfs/dbraw/zinc/55/50/28/1130555028.db2.gz YUKHSUJCSZSONV-GFCCVEGCSA-N 0 1 299.292 3.776 20 0 CHADMN Cc1cc([C@H]2CCCN2C[C@@H]2CCC(F)(F)C2)no1 ZINC000827331522 1130558136 /nfs/dbraw/zinc/55/81/36/1130558136.db2.gz ACLXCBCGWVIDKT-DGCLKSJQSA-N 0 1 270.323 3.555 20 0 CHADMN CCc1cc(CNC(=O)CC(C)(C)C2CCCCC2)n[nH]1 ZINC000793497619 1130564676 /nfs/dbraw/zinc/56/46/76/1130564676.db2.gz ISAHXLDPNDBHBZ-UHFFFAOYSA-N 0 1 291.439 3.585 20 0 CHADMN Oc1ccccc1-c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC001241013476 1130566072 /nfs/dbraw/zinc/56/60/72/1130566072.db2.gz DTTSOMHWFCWRNS-UHFFFAOYSA-N 0 1 278.233 3.954 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(Cl)c(C)c2)n(C)n1 ZINC000793556773 1130570027 /nfs/dbraw/zinc/57/00/27/1130570027.db2.gz YUURLWUTYICPDQ-LBPRGKRZSA-N 0 1 277.799 3.541 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2cc3ccccc3o2)n(C)n1 ZINC000793555095 1130570055 /nfs/dbraw/zinc/57/00/55/1130570055.db2.gz AGCVOSHBDOZWJX-QWHCGFSZSA-N 0 1 283.375 3.887 20 0 CHADMN CCOc1cc(F)cc(-c2ccc3cncn3c2)c1 ZINC001241024878 1130570649 /nfs/dbraw/zinc/57/06/49/1130570649.db2.gz KNZWXQCXDJDERU-UHFFFAOYSA-N 0 1 256.280 3.539 20 0 CHADMN CC1(C)CC[C@@H]1NCc1c(F)c(F)c(F)c(F)c1F ZINC000793564686 1130570975 /nfs/dbraw/zinc/57/09/75/1130570975.db2.gz JGKXTUBNCJJTPX-ZETCQYMHSA-N 0 1 279.252 3.660 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000758335335 1130605499 /nfs/dbraw/zinc/60/54/99/1130605499.db2.gz ONOBRPYXYNKNIM-VYDXJSESSA-N 0 1 294.483 3.582 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1c(Cl)nccc1N(C)C ZINC001234134656 1130611193 /nfs/dbraw/zinc/61/11/93/1130611193.db2.gz XGEFGFQSLNJDQT-CYBMUJFWSA-N 0 1 295.858 3.956 20 0 CHADMN CCCC1CCN(Cc2c(Cl)nccc2N(C)C)CC1 ZINC001234134327 1130611462 /nfs/dbraw/zinc/61/14/62/1130611462.db2.gz USLKKXNHYOYEQV-UHFFFAOYSA-N 0 1 295.858 3.813 20 0 CHADMN Cc1cc(CN2CC3(CCC3)[C@H]2C2CC2)cc(Cl)n1 ZINC000811513939 1130619874 /nfs/dbraw/zinc/61/98/74/1130619874.db2.gz WTZLEMBEAZHUBW-OAHLLOKOSA-N 0 1 276.811 3.808 20 0 CHADMN CN(CCF)Cc1ccc(N(C)c2ccc(F)cc2)cc1 ZINC001234298992 1130632093 /nfs/dbraw/zinc/63/20/93/1130632093.db2.gz IXITWGCCQHCPKL-UHFFFAOYSA-N 0 1 290.357 3.995 20 0 CHADMN CCC(=CC(=O)NC[C@@H](c1ccco1)N(CC)CC)CC ZINC000759171515 1130641318 /nfs/dbraw/zinc/64/13/18/1130641318.db2.gz HLSUEYFSLDNQFR-HNNXBMFYSA-N 0 1 292.423 3.525 20 0 CHADMN CC1=CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000759231791 1130645766 /nfs/dbraw/zinc/64/57/66/1130645766.db2.gz OJFZLBIIJKZEED-AWEZNQCLSA-N 0 1 286.202 3.679 20 0 CHADMN C[C@H]1CC[C@@H](CC(=O)Nc2ccc(CN(C)C)c(F)c2)C1 ZINC000759238663 1130645798 /nfs/dbraw/zinc/64/57/98/1130645798.db2.gz JAUNJFHKAMAAEG-QWHCGFSZSA-N 0 1 292.398 3.652 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccc(F)n2)cc1Cl ZINC000747745148 1130647210 /nfs/dbraw/zinc/64/72/10/1130647210.db2.gz WCECTGMJTJIHMX-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN Cc1nc(C)c(C[N@@H+](Cc2ccccc2)CC(C)C)[nH]1 ZINC001234602083 1130660324 /nfs/dbraw/zinc/66/03/24/1130660324.db2.gz XJSBMURRNDGDCE-UHFFFAOYSA-N 0 1 271.408 3.685 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cc(F)cc(F)c2C1)c1cscn1 ZINC001170666911 1130672737 /nfs/dbraw/zinc/67/27/37/1130672737.db2.gz RNHXIPOBBJILAS-BXKDBHETSA-N 0 1 294.370 3.629 20 0 CHADMN CCO[C@@H](CCNCc1csc(C2CC2)n1)C(C)C ZINC001308300940 1130678150 /nfs/dbraw/zinc/67/81/50/1130678150.db2.gz RRHOXKOBPIQHEI-AWEZNQCLSA-N 0 1 282.453 3.561 20 0 CHADMN CCC[C@H](C)CCNC(=O)c1ccc(CN(CC)CC)o1 ZINC001133211114 1130679228 /nfs/dbraw/zinc/67/92/28/1130679228.db2.gz MQBSYEQWJKJFCB-AWEZNQCLSA-N 0 1 294.439 3.678 20 0 CHADMN c1nc(CNC[C@H]2CCC=CO2)sc1-c1ccccc1 ZINC000780566153 1130684928 /nfs/dbraw/zinc/68/49/28/1130684928.db2.gz DXOJUOVHGURNJI-CQSZACIVSA-N 0 1 286.400 3.592 20 0 CHADMN CC[C@H](C)[C@H](C(=O)NOC/C=C/Cl)c1ccccc1 ZINC000812399084 1130688752 /nfs/dbraw/zinc/68/87/52/1130688752.db2.gz HLQINZTYOSNXFW-IOONSIDKSA-N 0 1 281.783 3.617 20 0 CHADMN CC/C(C)=C(\C)C(=O)Nc1cccc(-c2cn[nH]c2)c1 ZINC000780996203 1130698951 /nfs/dbraw/zinc/69/89/51/1130698951.db2.gz AAHLRMIPZLVMKZ-VAWYXSNFSA-N 0 1 269.348 3.762 20 0 CHADMN CCC[C@H](CNCc1nc2c(s1)C[C@@H](C)CC2)OCC ZINC001331296120 1130714504 /nfs/dbraw/zinc/71/45/04/1130714504.db2.gz JBYCUWQBFMYRIQ-QWHCGFSZSA-N 0 1 296.480 3.563 20 0 CHADMN Cc1cc(F)c(CN2CC[C@H]3CCC[C@H]3C2)c(F)c1 ZINC001235190847 1130720644 /nfs/dbraw/zinc/72/06/44/1130720644.db2.gz SQVIDRSCUMECHY-OLZOCXBDSA-N 0 1 265.347 3.895 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@H](C)[C@H]2C)c(F)c1 ZINC001235200383 1130722595 /nfs/dbraw/zinc/72/25/95/1130722595.db2.gz FFYMLPVXCIZKIX-NWDGAFQWSA-N 0 1 253.336 3.894 20 0 CHADMN CN(C/C=C\Cl)CCc1cccc(Br)c1 ZINC000812906192 1130724733 /nfs/dbraw/zinc/72/47/33/1130724733.db2.gz VJUZJPHSKSUQKV-CLTKARDFSA-N 0 1 288.616 3.676 20 0 CHADMN Fc1cccc2cc(CN3CC4CCC3CC4)[nH]c21 ZINC001235245643 1130728125 /nfs/dbraw/zinc/72/81/25/1130728125.db2.gz AWFKZTAJUIDAKV-UHFFFAOYSA-N 0 1 258.340 3.681 20 0 CHADMN CCc1cccc(CN2CCc3cc(C)ccc3C2)n1 ZINC001235266155 1130731225 /nfs/dbraw/zinc/73/12/25/1130731225.db2.gz KSNROICFPWBRJB-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN CCc1cccc(CN2Cc3ccccc3C[C@@H]2C)n1 ZINC001235265601 1130731245 /nfs/dbraw/zinc/73/12/45/1130731245.db2.gz XWBJGWTZJOGDKK-AWEZNQCLSA-N 0 1 266.388 3.591 20 0 CHADMN CC(C)(C(=O)NOCC1CCCCC1)c1ccccc1 ZINC000781617318 1130731367 /nfs/dbraw/zinc/73/13/67/1130731367.db2.gz QQWXSKIZDBFXGJ-UHFFFAOYSA-N 0 1 275.392 3.592 20 0 CHADMN CSc1ccc(-n2c(N)nc3ccccc32)cc1Cl ZINC001215065407 1130732955 /nfs/dbraw/zinc/73/29/55/1130732955.db2.gz AEAJGCJQCZFFKZ-UHFFFAOYSA-N 0 1 289.791 3.983 20 0 CHADMN CCOc1cc(O)cc(CN2CCc3ccccc3[C@@H]2C)c1 ZINC001235388017 1130737647 /nfs/dbraw/zinc/73/76/47/1130737647.db2.gz XPQQJHNPSVKGLI-AWEZNQCLSA-N 0 1 297.398 3.910 20 0 CHADMN CCOc1cc(O)cc(CN2Cc3ccccc3C[C@@H]2C)c1 ZINC001235400965 1130739266 /nfs/dbraw/zinc/73/92/66/1130739266.db2.gz MJAAAHYOMRRJKI-AWEZNQCLSA-N 0 1 297.398 3.738 20 0 CHADMN Cc1cc(OC(C)C)ncc1CN1CCC(F)(F)[C@@H](C)C1 ZINC001235416159 1130740497 /nfs/dbraw/zinc/74/04/97/1130740497.db2.gz BWGXMJBKSPFQIW-ZDUSSCGKSA-N 0 1 298.377 3.654 20 0 CHADMN Cc1cc(OC(C)C)ncc1CN1CCC[C@@H](C(F)F)C1 ZINC001235430492 1130743998 /nfs/dbraw/zinc/74/39/98/1130743998.db2.gz WUENRVWUEHNHOS-CYBMUJFWSA-N 0 1 298.377 3.654 20 0 CHADMN COc1cc(CN2CCC[C@H](C)[C@@H]2C)cc(F)c1F ZINC001235445147 1130746168 /nfs/dbraw/zinc/74/61/68/1130746168.db2.gz HPZAGUTVIGYSJF-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN COc1cncc(CN2Cc3ccccc3[C@H](C)C2)c1C ZINC001235461222 1130747870 /nfs/dbraw/zinc/74/78/70/1130747870.db2.gz YAVHZZHKVBMYJG-CYBMUJFWSA-N 0 1 282.387 3.518 20 0 CHADMN Fc1cncc(CN2CCC[C@H]3CCC[C@H]32)c1Cl ZINC001235493330 1130749646 /nfs/dbraw/zinc/74/96/46/1130749646.db2.gz AIOLMWQMMAWFAK-ZWNOBZJWSA-N 0 1 268.763 3.639 20 0 CHADMN C[C@@H]1CC[C@@]2(CCN(Cc3coc(C4CC4)n3)C2)C1 ZINC000781928106 1130749684 /nfs/dbraw/zinc/74/96/84/1130749684.db2.gz JJBXLFKDJUWEMX-MLGOLLRUSA-N 0 1 260.381 3.564 20 0 CHADMN C[C@H](C1CC1)N1CCc2cccc(Br)c2C1 ZINC000782182131 1130757539 /nfs/dbraw/zinc/75/75/39/1130757539.db2.gz SFMMZJZOBMEDRM-SNVBAGLBSA-N 0 1 280.209 3.606 20 0 CHADMN CN(C)c1cc(CN2CCC[C@H]2c2cccc(F)c2)ccn1 ZINC000782174366 1130758600 /nfs/dbraw/zinc/75/86/00/1130758600.db2.gz JTPKMMJFEDHUDI-KRWDZBQOSA-N 0 1 299.393 3.624 20 0 CHADMN CCCN(Cc1c(C)cncc1Br)CC1CC1 ZINC001235638755 1130761387 /nfs/dbraw/zinc/76/13/87/1130761387.db2.gz RJTDODDLEZNCGJ-UHFFFAOYSA-N 0 1 297.240 3.775 20 0 CHADMN C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccc(O)c(F)c2)C1 ZINC000813336934 1130761849 /nfs/dbraw/zinc/76/18/49/1130761849.db2.gz LCSQRQUSOSUSGI-LRDDRELGSA-N 0 1 286.350 3.509 20 0 CHADMN Cc1cc(Br)cc(C)c1CN1CC(C)C1 ZINC001235782953 1130778149 /nfs/dbraw/zinc/77/81/49/1130778149.db2.gz XYZLNNBPOXBMDH-UHFFFAOYSA-N 0 1 268.198 3.518 20 0 CHADMN CCOc1cc(CN2CC3(C2)CCCCC3)ccc1F ZINC001235804784 1130781295 /nfs/dbraw/zinc/78/12/95/1130781295.db2.gz DFPAJQHDKYBEMJ-UHFFFAOYSA-N 0 1 277.383 3.991 20 0 CHADMN C[C@H](NCc1ccc(Cl)cc1F)c1ccc[nH]1 ZINC000782532774 1130782642 /nfs/dbraw/zinc/78/26/42/1130782642.db2.gz OJDFLGXUCCUYTP-VIFPVBQESA-N 0 1 252.720 3.658 20 0 CHADMN CC(C)(NCc1ccc2c(c1)COC2)c1ccccc1F ZINC000813792587 1130784998 /nfs/dbraw/zinc/78/49/98/1130784998.db2.gz RWVQBJQTGUTSEO-UHFFFAOYSA-N 0 1 285.362 3.881 20 0 CHADMN Cc1ccc(CCN(C)Cc2c(F)ccc(N)c2F)cc1 ZINC001235841128 1130787525 /nfs/dbraw/zinc/78/75/25/1130787525.db2.gz WQCPQUSHHMDPHZ-UHFFFAOYSA-N 0 1 290.357 3.530 20 0 CHADMN Cc1nc2cc(CN(C)Cc3ccccn3)ccc2s1 ZINC001235851708 1130788894 /nfs/dbraw/zinc/78/88/94/1130788894.db2.gz DRFWGDQNIGRKRG-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN Cc1nc2cc(CN(C)Cc3cccnc3)ccc2s1 ZINC001235853832 1130788932 /nfs/dbraw/zinc/78/89/32/1130788932.db2.gz ZQNUZXHUSATPLS-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2CCc3cc(C)ccc32)o1 ZINC000813887941 1130794396 /nfs/dbraw/zinc/79/43/96/1130794396.db2.gz WPSKNVCMVZUZST-OAHLLOKOSA-N 0 1 270.376 3.631 20 0 CHADMN CC[C@@H](NCc1cccc(F)n1)c1cccc(F)c1 ZINC000783263627 1130809514 /nfs/dbraw/zinc/80/95/14/1130809514.db2.gz VVTDHHDPKUOVHK-CQSZACIVSA-N 0 1 262.303 3.601 20 0 CHADMN Fc1ccc([C@@H](NC[C@@H]2CCC=CO2)c2cccnc2)cc1 ZINC000783305600 1130813626 /nfs/dbraw/zinc/81/36/26/1130813626.db2.gz SWQILIYZOSLNKY-ZWKOTPCHSA-N 0 1 298.361 3.592 20 0 CHADMN Oc1c(F)cc(F)c(-c2nccc3occc32)c1F ZINC001235984801 1130823627 /nfs/dbraw/zinc/82/36/27/1130823627.db2.gz GNDCSAYMUDLLAB-UHFFFAOYSA-N 0 1 265.190 3.618 20 0 CHADMN Cc1nc2sccc2c(-c2c(F)cc(F)c(O)c2F)n1 ZINC001235984394 1130823648 /nfs/dbraw/zinc/82/36/48/1130823648.db2.gz FMQPJDWEGWQSNG-UHFFFAOYSA-N 0 1 296.273 3.790 20 0 CHADMN Cc1cc2nc(-c3c(F)cc(F)c(O)c3F)ccc2[nH]1 ZINC001235983508 1130823721 /nfs/dbraw/zinc/82/37/21/1130823721.db2.gz CWNGQBYWTYVEJT-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc(-c3ccco3)nn2)c1F ZINC001235993688 1130824166 /nfs/dbraw/zinc/82/41/66/1130824166.db2.gz OFQMBYHQWPQIIO-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN Oc1c(F)cc(F)c(-c2ncc3cc(F)ccc3n2)c1F ZINC001235991566 1130824513 /nfs/dbraw/zinc/82/45/13/1130824513.db2.gz WBHIHLVGSXUWSD-UHFFFAOYSA-N 0 1 294.207 3.559 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc3c(c2)NC(=S)C3)c1F ZINC001236000014 1130826712 /nfs/dbraw/zinc/82/67/12/1130826712.db2.gz DUBPUPRYGZJMNV-UHFFFAOYSA-N 0 1 295.285 3.772 20 0 CHADMN Oc1c(F)cc(F)c(-c2cccc3cc[nH]c32)c1F ZINC001235996788 1130826973 /nfs/dbraw/zinc/82/69/73/1130826973.db2.gz YCQMGQLKDJTVSE-UHFFFAOYSA-N 0 1 263.218 3.958 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc3c(c2)CC3)c1F ZINC001235997658 1130827325 /nfs/dbraw/zinc/82/73/25/1130827325.db2.gz GMFZSLRBSYFAAW-UHFFFAOYSA-N 0 1 250.219 3.575 20 0 CHADMN COCc1cc(OC)ccc1-c1c(F)cc(F)c(O)c1F ZINC001235999493 1130827895 /nfs/dbraw/zinc/82/78/95/1130827895.db2.gz IBCWLHINQGLDIN-UHFFFAOYSA-N 0 1 298.260 3.632 20 0 CHADMN O=c1ccc2ccc(-c3c(F)cc(F)c(O)c3F)cc2o1 ZINC001236002589 1130828314 /nfs/dbraw/zinc/82/83/14/1130828314.db2.gz PTVRFFNVQULIOK-UHFFFAOYSA-N 0 1 292.212 3.583 20 0 CHADMN COc1cccc(-c2c(F)cc(F)c(O)c2F)c1F ZINC001236002534 1130829256 /nfs/dbraw/zinc/82/92/56/1130829256.db2.gz OYBVCNMEKRVNKF-UHFFFAOYSA-N 0 1 272.197 3.624 20 0 CHADMN CC(C)[C@H]1N(Cc2ccc(Cl)nc2)CC12CCC2 ZINC000814171077 1130837314 /nfs/dbraw/zinc/83/73/14/1130837314.db2.gz JRWSHOBNIFAOTB-CQSZACIVSA-N 0 1 264.800 3.746 20 0 CHADMN CSc1ccc(Cl)cc1NC(=S)NC1CCC1 ZINC000814195933 1130841301 /nfs/dbraw/zinc/84/13/01/1130841301.db2.gz KOQQNJOFXCMOCR-UHFFFAOYSA-N 0 1 286.853 3.901 20 0 CHADMN OCc1ccc(C(F)(F)F)cc1-c1ccc2cncn2c1 ZINC001236060082 1130843825 /nfs/dbraw/zinc/84/38/25/1130843825.db2.gz WERUWCZCNBJXGQ-UHFFFAOYSA-N 0 1 292.260 3.512 20 0 CHADMN Clc1cccc2c1CN(Cc1ccc3c(c1)CCN3)CC2 ZINC001236079031 1130851174 /nfs/dbraw/zinc/85/11/74/1130851174.db2.gz NMMGIJONAQDPJD-UHFFFAOYSA-N 0 1 298.817 3.866 20 0 CHADMN Cc1cc(-c2cccnc2OC(C)C)cc2nc[nH]c21 ZINC001236104617 1130864973 /nfs/dbraw/zinc/86/49/73/1130864973.db2.gz ZSEXARGPJPTBID-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN CC(C)(C)c1ccc(CNCc2cccc(F)n2)cc1 ZINC000747937080 1130868600 /nfs/dbraw/zinc/86/86/00/1130868600.db2.gz DIWQPAGLXVAXFW-UHFFFAOYSA-N 0 1 272.367 3.808 20 0 CHADMN CN[C@H]1CCN1Cc1ccc(N(C)c2ccccc2C)cc1 ZINC001236168818 1130877887 /nfs/dbraw/zinc/87/78/87/1130877887.db2.gz VRODUJNSPJLYLD-LJQANCHMSA-N 0 1 295.430 3.514 20 0 CHADMN CCOc1ccc(C)cc1CN1CCc2ccc(N)cc2C1 ZINC001236232316 1130900257 /nfs/dbraw/zinc/90/02/57/1130900257.db2.gz NLAMAHCOOVUYTD-UHFFFAOYSA-N 0 1 296.414 3.534 20 0 CHADMN Fc1cc2nn[nH]c2cc1C1=CC[C@@H](C(F)(F)F)CC1 ZINC001236252255 1130906197 /nfs/dbraw/zinc/90/61/97/1130906197.db2.gz CAXDMUWJFJMPHL-MRVPVSSYSA-N 0 1 285.244 3.843 20 0 CHADMN CCN(CCCCO)Cc1ccc(Cl)cc1Cl ZINC001236266378 1130909495 /nfs/dbraw/zinc/90/94/95/1130909495.db2.gz RBCHJJXISGKUJV-UHFFFAOYSA-N 0 1 276.207 3.588 20 0 CHADMN CC[C@H](NCc1cccc(F)n1)c1cccc(C)c1 ZINC000796837609 1130938087 /nfs/dbraw/zinc/93/80/87/1130938087.db2.gz OYFQGVJIZCKWGD-HNNXBMFYSA-N 0 1 258.340 3.770 20 0 CHADMN Cc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1OC(C)C ZINC000796971929 1130950377 /nfs/dbraw/zinc/95/03/77/1130950377.db2.gz HDGMVHAXOXDOGB-OAHLLOKOSA-N 0 1 285.391 3.995 20 0 CHADMN Cc1ccc(-c2cc3nc[nH]c3cc2F)c2c[nH]nc21 ZINC001236504343 1130959205 /nfs/dbraw/zinc/95/92/05/1130959205.db2.gz XTLRVIKUFGZPDS-UHFFFAOYSA-N 0 1 266.279 3.554 20 0 CHADMN Cn1ncc(CN[C@H](c2ccccc2)C2CCC2)c1Cl ZINC000815124137 1130959521 /nfs/dbraw/zinc/95/95/21/1130959521.db2.gz WIHDDQGOOYETQO-OAHLLOKOSA-N 0 1 289.810 3.705 20 0 CHADMN CCOc1ccc(C)c(F)c1-c1cnc2nc[nH]c2c1C ZINC001236538298 1130968421 /nfs/dbraw/zinc/96/84/21/1130968421.db2.gz SJKGAHBRBHAGCZ-UHFFFAOYSA-N 0 1 285.322 3.780 20 0 CHADMN CCCC[C@@H](C)N(CCCC)Cc1nonc1C ZINC000815199668 1130969219 /nfs/dbraw/zinc/96/92/19/1130969219.db2.gz DCLBKGIZYZICSM-GFCCVEGCSA-N 0 1 253.390 3.559 20 0 CHADMN CC(C)Oc1cc(-c2cc(N3CCCCC3)ccn2)ccn1 ZINC001236550527 1130973233 /nfs/dbraw/zinc/97/32/33/1130973233.db2.gz CYPQLCUYYYQFBG-UHFFFAOYSA-N 0 1 297.402 3.921 20 0 CHADMN CC(C)Oc1cc(-c2cc3nc[nH]c3cc2F)ccn1 ZINC001236570105 1130977485 /nfs/dbraw/zinc/97/74/85/1130977485.db2.gz MLRYQDDLVAMSMW-UHFFFAOYSA-N 0 1 271.295 3.551 20 0 CHADMN COc1nscc1CN1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC001170782100 1130977985 /nfs/dbraw/zinc/97/79/85/1130977985.db2.gz DTTNDJHDNNOHGM-AAEUAGOBSA-N 0 1 282.453 3.798 20 0 CHADMN Cc1cc(OC(C)C)ncc1-c1cc(N2CCCC2)ccn1 ZINC001236579133 1130979738 /nfs/dbraw/zinc/97/97/38/1130979738.db2.gz XQONJFHJVNNUIE-UHFFFAOYSA-N 0 1 297.402 3.839 20 0 CHADMN CC[C@@H](C)[N@@H+](C)Cc1c(C)cc(Cl)nc1Cl ZINC001236601289 1130981355 /nfs/dbraw/zinc/98/13/55/1130981355.db2.gz DWXWFXLKWFHBPC-SECBINFHSA-N 0 1 261.196 3.927 20 0 CHADMN CC[C@@H](C)N(C)Cc1c(C)cc(Cl)nc1Cl ZINC001236601289 1130981359 /nfs/dbraw/zinc/98/13/59/1130981359.db2.gz DWXWFXLKWFHBPC-SECBINFHSA-N 0 1 261.196 3.927 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cc(F)cc3c2OCCC3)[C@H]1C ZINC001236624804 1130985087 /nfs/dbraw/zinc/98/50/87/1130985087.db2.gz XMHPBVNHBFWWKB-STQMWFEESA-N 0 1 277.383 3.771 20 0 CHADMN FC[C@H]1CCCN(Cc2ccc(Cl)c(F)c2)C1 ZINC001137653329 1130991907 /nfs/dbraw/zinc/99/19/07/1130991907.db2.gz JPDJSAFTYGUMNY-LLVKDONJSA-N 0 1 259.727 3.661 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(Br)c(O)c1 ZINC001236688233 1130994658 /nfs/dbraw/zinc/99/46/58/1130994658.db2.gz UFWYXNUCDUGTIU-WDEREUQCSA-N 0 1 298.224 3.775 20 0 CHADMN CCC[N@H+](Cc1ccccc1)Cc1ccc(F)c([O-])c1 ZINC001236705439 1130996005 /nfs/dbraw/zinc/99/60/05/1130996005.db2.gz JKAJFHGIGVZNAD-UHFFFAOYSA-N 0 1 273.351 3.944 20 0 CHADMN CCC[N@@H+](Cc1ccccc1)Cc1ccc(F)c([O-])c1 ZINC001236705439 1130996009 /nfs/dbraw/zinc/99/60/09/1130996009.db2.gz JKAJFHGIGVZNAD-UHFFFAOYSA-N 0 1 273.351 3.944 20 0 CHADMN CN(Cc1cccc(Cl)c1)Cc1ccc(F)c(O)c1 ZINC001236706717 1130996839 /nfs/dbraw/zinc/99/68/39/1130996839.db2.gz WVYDZQCNYCPVJJ-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN [O-]c1cc(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)ccc1F ZINC001236706864 1130996881 /nfs/dbraw/zinc/99/68/81/1130996881.db2.gz AJGFYUNXLKOVHR-OAHLLOKOSA-N 0 1 277.383 3.934 20 0 CHADMN [O-]c1cc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)ccc1F ZINC001236706864 1130996882 /nfs/dbraw/zinc/99/68/82/1130996882.db2.gz AJGFYUNXLKOVHR-OAHLLOKOSA-N 0 1 277.383 3.934 20 0 CHADMN [O-]c1cc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)ccc1F ZINC001236710164 1130997271 /nfs/dbraw/zinc/99/72/71/1130997271.db2.gz JHQNKVQGLBIXNV-CYBMUJFWSA-N 0 1 281.346 3.636 20 0 CHADMN COc1cc(C)ccc1CNCc1cc(C)nc(Cl)c1 ZINC000797602202 1130997429 /nfs/dbraw/zinc/99/74/29/1130997429.db2.gz NTPILAGGLIQGTE-UHFFFAOYSA-N 0 1 290.794 3.650 20 0 CHADMN Cc1cc(CN[C@H]2CSc3ccccc32)cc(Cl)n1 ZINC000797602371 1130997555 /nfs/dbraw/zinc/99/75/55/1130997555.db2.gz LPDHZWAUSADQJC-ZDUSSCGKSA-N 0 1 290.819 3.980 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)N[C@@H](C)c1ccccn1 ZINC000815552982 1130998492 /nfs/dbraw/zinc/99/84/92/1130998492.db2.gz OXESIIQLKADUHY-OLZOCXBDSA-N 0 1 258.340 3.941 20 0 CHADMN CO[C@@H]1CCN(Cc2ccc(F)c(C)c2Cl)[C@H](C)C1 ZINC001236716227 1130999947 /nfs/dbraw/zinc/99/99/47/1130999947.db2.gz UPZZXAJSLWIODN-ZWNOBZJWSA-N 0 1 285.790 3.787 20 0 CHADMN CN(Cc1cncs1)Cc1cccc2ccoc21 ZINC001236735734 1131001154 /nfs/dbraw/zinc/00/11/54/1131001154.db2.gz OYUJYLRAXWJLEH-UHFFFAOYSA-N 0 1 258.346 3.521 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)N[C@H](CO)c1cccc(F)c1 ZINC000815593225 1131006615 /nfs/dbraw/zinc/00/66/15/1131006615.db2.gz FUNOZMJNAUBEEC-YVEFUNNKSA-N 0 1 291.341 3.657 20 0 CHADMN Cc1cccc(C)c1-c1cccc(CN2C[C@@H]3C[C@H]2CO3)c1 ZINC001236813700 1131010575 /nfs/dbraw/zinc/01/05/75/1131010575.db2.gz CXGVCGTYHVEKFM-OALUTQOASA-N 0 1 293.410 3.944 20 0 CHADMN COc1cc(CN2CC[C@H]3CCCC[C@@H]3C2)c(F)cc1F ZINC001236828158 1131016277 /nfs/dbraw/zinc/01/62/77/1131016277.db2.gz QNPZAJXPFIKGMY-CHWSQXEVSA-N 0 1 295.373 3.986 20 0 CHADMN CC1(C)C[C@@H](NCc2c(F)cc(F)cc2F)C(C)(C)O1 ZINC000815649845 1131016778 /nfs/dbraw/zinc/01/67/78/1131016778.db2.gz ADLGXIPFNNPAMW-CYBMUJFWSA-N 0 1 287.325 3.540 20 0 CHADMN Clc1cc2ccccc2nc1CN1CC2CC(C2)C1 ZINC001236879170 1131026596 /nfs/dbraw/zinc/02/65/96/1131026596.db2.gz ZPYALMJJCMQEFI-UHFFFAOYSA-N 0 1 272.779 3.730 20 0 CHADMN Cc1nc2c(s1)[C@H](Nc1ccnc(C)c1Cl)CCC2 ZINC000798397032 1131036450 /nfs/dbraw/zinc/03/64/50/1131036450.db2.gz QKONPMXHLFYCCT-GFCCVEGCSA-N 0 1 293.823 3.720 20 0 CHADMN COc1cccc(CN2CCCC[C@@H]2C)c1Cl ZINC001237186384 1131067264 /nfs/dbraw/zinc/06/72/64/1131067264.db2.gz YVXRRPOHIALZII-NSHDSACASA-N 0 1 253.773 3.723 20 0 CHADMN CC(C)[C@H]1COCCN1Cc1ccc(C2CCC2)cc1 ZINC001237108251 1131050756 /nfs/dbraw/zinc/05/07/56/1131050756.db2.gz RTHLIUROMROCHS-GOSISDBHSA-N 0 1 273.420 3.811 20 0 CHADMN CC(C)[C@@H](C(=O)O[C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC000798818593 1131052178 /nfs/dbraw/zinc/05/21/78/1131052178.db2.gz YYPXGHREFHTIAW-FZMZJTMJSA-N 0 1 283.799 3.530 20 0 CHADMN CCCN(Cc1sc(=O)[nH]c1Cl)Cc1ccccc1 ZINC001237149908 1131057893 /nfs/dbraw/zinc/05/78/93/1131057893.db2.gz KWIHKXYDAIHUCD-UHFFFAOYSA-N 0 1 296.823 3.914 20 0 CHADMN CC[N@H+](Cc1sc(=O)[n-]c1Cl)C1CCCCC1 ZINC001237147084 1131058057 /nfs/dbraw/zinc/05/80/57/1131058057.db2.gz AYUSRCPZGYIWJF-UHFFFAOYSA-N 0 1 274.817 3.657 20 0 CHADMN CC[N@@H+](Cc1sc(=O)[n-]c1Cl)C1CCCCC1 ZINC001237147084 1131058061 /nfs/dbraw/zinc/05/80/61/1131058061.db2.gz AYUSRCPZGYIWJF-UHFFFAOYSA-N 0 1 274.817 3.657 20 0 CHADMN [S-]c1ccoc1C[NH+]1CCC(c2ccccc2)CC1 ZINC001237178584 1131063861 /nfs/dbraw/zinc/06/38/61/1131063861.db2.gz XVYXMTJLZCJGFM-UHFFFAOYSA-N 0 1 273.401 3.948 20 0 CHADMN COc1ccc([C@@H]2CC[N@H+](Cc3occc3[S-])C2)cc1 ZINC001237184760 1131064439 /nfs/dbraw/zinc/06/44/39/1131064439.db2.gz RESCCZPIKMGPQT-CYBMUJFWSA-N 0 1 289.400 3.566 20 0 CHADMN COc1ccc([C@@H]2CC[N@@H+](Cc3occc3[S-])C2)cc1 ZINC001237184760 1131064446 /nfs/dbraw/zinc/06/44/46/1131064446.db2.gz RESCCZPIKMGPQT-CYBMUJFWSA-N 0 1 289.400 3.566 20 0 CHADMN CC[N@H+](CCc1ccc(OC)cc1)Cc1occc1[S-] ZINC001237186911 1131066693 /nfs/dbraw/zinc/06/66/93/1131066693.db2.gz VUBMSSWNILCSLM-UHFFFAOYSA-N 0 1 291.416 3.642 20 0 CHADMN CC[N@@H+](CCc1ccc(OC)cc1)Cc1occc1[S-] ZINC001237186911 1131066697 /nfs/dbraw/zinc/06/66/97/1131066697.db2.gz VUBMSSWNILCSLM-UHFFFAOYSA-N 0 1 291.416 3.642 20 0 CHADMN C[C@@H]1CCN(Cc2cnc(Cl)cn2)[C@@H]2CCCC[C@@H]12 ZINC000799111935 1131069860 /nfs/dbraw/zinc/06/98/60/1131069860.db2.gz NIVPYSQFJOOHPY-KWCYVHTRSA-N 0 1 279.815 3.531 20 0 CHADMN CC1(C)CN(Cc2ccc3cccccc2-3)CCC1=O ZINC001237194215 1131070725 /nfs/dbraw/zinc/07/07/25/1131070725.db2.gz XYSUQYKEGIIHAY-UHFFFAOYSA-N 0 1 267.372 3.592 20 0 CHADMN CC[C@@](C)(NCc1cnc(Cl)cn1)c1ccccc1 ZINC000799153489 1131072213 /nfs/dbraw/zinc/07/22/13/1131072213.db2.gz CBXOAUNRFRSLSA-OAHLLOKOSA-N 0 1 275.783 3.545 20 0 CHADMN Clc1ccc(CN2CCNC3=CCCC[C@H]32)c(Cl)c1 ZINC001237220020 1131072670 /nfs/dbraw/zinc/07/26/70/1131072670.db2.gz QAUQYHBWCQIMBI-OAHLLOKOSA-N 0 1 297.229 3.835 20 0 CHADMN COc1nc(Cl)ccc1CN1CCC[C@@H](C)[C@H](C)C1 ZINC001237241208 1131073210 /nfs/dbraw/zinc/07/32/10/1131073210.db2.gz IXAVDCYVZULOLK-VXGBXAGGSA-N 0 1 282.815 3.612 20 0 CHADMN CCCN(Cc1nc(C(=O)OCC)c(C)s1)[C@@H](C)CC ZINC001237226689 1131073276 /nfs/dbraw/zinc/07/32/76/1131073276.db2.gz HVXOHENZCUMXKH-NSHDSACASA-N 0 1 298.452 3.639 20 0 CHADMN COc1nc(Cl)ccc1CN1CCC[C@@H](C)[C@@H](C)C1 ZINC001237241205 1131073470 /nfs/dbraw/zinc/07/34/70/1131073470.db2.gz IXAVDCYVZULOLK-NEPJUHHUSA-N 0 1 282.815 3.612 20 0 CHADMN CC[C@H]1CCCCN1Cc1ccc(Cl)nc1OC ZINC001237250098 1131074524 /nfs/dbraw/zinc/07/45/24/1131074524.db2.gz XJPGGGXBYYKERV-LBPRGKRZSA-N 0 1 268.788 3.508 20 0 CHADMN COc1nc(Cl)ccc1CN1CCCCC[C@H]1C ZINC001237245692 1131074550 /nfs/dbraw/zinc/07/45/50/1131074550.db2.gz RUMVJSHJFRMBEC-LLVKDONJSA-N 0 1 268.788 3.508 20 0 CHADMN Clc1ccnc2ccc(CN3CCC[C@@H]4C[C@@H]43)cc12 ZINC001237274871 1131075968 /nfs/dbraw/zinc/07/59/68/1131075968.db2.gz LUZITUHTSFCFIU-WBMJQRKESA-N 0 1 272.779 3.873 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2ccncc2C(F)(F)F)C1 ZINC001237294695 1131078699 /nfs/dbraw/zinc/07/86/99/1131078699.db2.gz LZWBAROGDFEUNG-PHIMTYICSA-N 0 1 272.314 3.578 20 0 CHADMN Cc1nccc(N2CCC=C(Br)C2)c1Cl ZINC000799325077 1131080036 /nfs/dbraw/zinc/08/00/36/1131080036.db2.gz XRBLJRLLPJVNEK-UHFFFAOYSA-N 0 1 287.588 3.532 20 0 CHADMN Cc1cc(F)cc(C)c1CN1CC2(C1)CC(F)(F)C2 ZINC001237317081 1131081083 /nfs/dbraw/zinc/08/10/83/1131081083.db2.gz HYLAOOQXFHYFBM-UHFFFAOYSA-N 0 1 269.310 3.674 20 0 CHADMN CCc1cccc(C)c1CN1CCO[C@@H](c2ccncc2)C1 ZINC001237326109 1131083870 /nfs/dbraw/zinc/08/38/70/1131083870.db2.gz AKOJEVLZDALTRT-LJQANCHMSA-N 0 1 296.414 3.526 20 0 CHADMN Cc1cc(F)cc(C)c1CN1CCC[C@@H]1c1cnccn1 ZINC001237323823 1131084109 /nfs/dbraw/zinc/08/41/09/1131084109.db2.gz XPFOHDWWEJMFJG-QGZVFWFLSA-N 0 1 285.366 3.570 20 0 CHADMN CCc1cccc(C)c1CN1CC2(C1)CC(F)(F)CS2 ZINC001237330757 1131085657 /nfs/dbraw/zinc/08/56/57/1131085657.db2.gz SLRRINPCRHSQLC-UHFFFAOYSA-N 0 1 297.414 3.884 20 0 CHADMN CCc1cccc(C)c1CN1CCc2ncsc2C1 ZINC001237328517 1131085737 /nfs/dbraw/zinc/08/57/37/1131085737.db2.gz DIYHZUGJSCPNEB-UHFFFAOYSA-N 0 1 272.417 3.572 20 0 CHADMN COc1ccc2c(c1)[nH]nc2CN(C)Cc1ccc(C)cc1 ZINC001237387362 1131094759 /nfs/dbraw/zinc/09/47/59/1131094759.db2.gz DJPWNWCGTNPILC-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN CCN(Cc1cnccc1Br)C1CCCCC1 ZINC001237387489 1131095597 /nfs/dbraw/zinc/09/55/97/1131095597.db2.gz JOJDFMNCNUTPFV-UHFFFAOYSA-N 0 1 297.240 3.999 20 0 CHADMN CN(Cc1c(Cl)cccc1Cl)[C@@H]1CCCOCC1 ZINC001170826646 1131100719 /nfs/dbraw/zinc/10/07/19/1131100719.db2.gz HJVUEEPXBFYTPV-LLVKDONJSA-N 0 1 288.218 3.994 20 0 CHADMN Cc1ccc(-c2c(O)cccc2F)nc1C(F)(F)F ZINC001245653053 1131103022 /nfs/dbraw/zinc/10/30/22/1131103022.db2.gz GCEUZVLYNDLVNB-UHFFFAOYSA-N 0 1 271.213 3.921 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cccc(C)c1OC)CC2 ZINC001237499199 1131106113 /nfs/dbraw/zinc/10/61/13/1131106113.db2.gz CIQZBUYOBFCVBZ-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN Fc1cccc2c(CN3CC4(CSC4)C3)cccc12 ZINC001237517443 1131109952 /nfs/dbraw/zinc/10/99/52/1131109952.db2.gz HLEDQYSZGCEIGB-UHFFFAOYSA-N 0 1 273.376 3.528 20 0 CHADMN CCN(Cc1cnn(C)c1Cl)[C@@H](C)Cc1ccsc1 ZINC000816574440 1131112623 /nfs/dbraw/zinc/11/26/23/1131112623.db2.gz HNAHKEAWRORAKV-NSHDSACASA-N 0 1 297.855 3.588 20 0 CHADMN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1cnn(C)c1Cl ZINC000816612260 1131115673 /nfs/dbraw/zinc/11/56/73/1131115673.db2.gz KNXPSRLWENXAIO-YPMHNXCESA-N 0 1 283.847 3.720 20 0 CHADMN CC[C@@H]1CCCCN1Cc1c(F)c(OC)ccc1OC ZINC001237583520 1131116296 /nfs/dbraw/zinc/11/62/96/1131116296.db2.gz ANRAOPMWTKWBTN-GFCCVEGCSA-N 0 1 281.371 3.607 20 0 CHADMN CCCOc1c(CN2C[C@H](C)[C@H]2C)cccc1OCC ZINC000816646208 1131119195 /nfs/dbraw/zinc/11/91/95/1131119195.db2.gz ACXPHBWJQNZXKX-UONOGXRCSA-N 0 1 277.408 3.714 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1ccc(-c2ccncc2)cc1F ZINC000816648170 1131119580 /nfs/dbraw/zinc/11/95/80/1131119580.db2.gz GEPQGUICQVRKLR-QWHCGFSZSA-N 0 1 270.351 3.728 20 0 CHADMN CC(C)[C@@H]1C[C@H](NCc2c(F)cc(F)cc2F)CS1 ZINC000816651010 1131120977 /nfs/dbraw/zinc/12/09/77/1131120977.db2.gz ONQZCSJJDTXVOJ-HZMBPMFUSA-N 0 1 289.366 3.724 20 0 CHADMN CCOc1ccc(CN2CCC[C@H](C(F)F)C2)c(F)c1 ZINC001237635884 1131121855 /nfs/dbraw/zinc/12/18/55/1131121855.db2.gz WUYLXVNWZPSCPR-LBPRGKRZSA-N 0 1 287.325 3.702 20 0 CHADMN Clc1ccc(O[C@H]2CCN(Cc3ccoc3)C2)cc1 ZINC000816659408 1131122416 /nfs/dbraw/zinc/12/24/16/1131122416.db2.gz MOHKETNALWMDGE-HNNXBMFYSA-N 0 1 277.751 3.586 20 0 CHADMN Cc1nccc(-c2cc(Cl)c(O)cc2F)c1F ZINC001245670822 1131122550 /nfs/dbraw/zinc/12/25/50/1131122550.db2.gz NTFDCBQELWLPSH-UHFFFAOYSA-N 0 1 255.651 3.694 20 0 CHADMN CC(C)c1nnc(CN(CCc2ccccc2)C(C)C)o1 ZINC001115957983 1131124586 /nfs/dbraw/zinc/12/45/86/1131124586.db2.gz JPEDZVNRNZMESE-UHFFFAOYSA-N 0 1 287.407 3.646 20 0 CHADMN C[C@@H]1CN(Cc2ccc(-c3ccc(O)cc3)cc2)[C@@H](C)CO1 ZINC001237668090 1131127274 /nfs/dbraw/zinc/12/72/74/1131127274.db2.gz HFOPCUPHRBBUAS-LSDHHAIUSA-N 0 1 297.398 3.668 20 0 CHADMN CC(C)c1ncc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)[nH]1 ZINC001116126731 1131129854 /nfs/dbraw/zinc/12/98/54/1131129854.db2.gz UTUYRKYIODILNE-HIFRSBDPSA-N 0 1 297.402 3.551 20 0 CHADMN CCCCCC[C@H](C)NC(=O)c1cc2[nH]cnc2cc1F ZINC000816843140 1131131402 /nfs/dbraw/zinc/13/14/02/1131131402.db2.gz PWOOBJUMXOZWRW-NSHDSACASA-N 0 1 291.370 3.791 20 0 CHADMN CC1(C)Cc2ccccc2N(C(=O)c2c[nH]nc2C2CC2)C1 ZINC000816902465 1131132215 /nfs/dbraw/zinc/13/22/15/1131132215.db2.gz TVIRDKIYEMOYQZ-UHFFFAOYSA-N 0 1 295.386 3.516 20 0 CHADMN CCOC1CCN(Cc2ccc(Cl)c(CC)c2)CC1 ZINC001237746066 1131137495 /nfs/dbraw/zinc/13/74/95/1131137495.db2.gz ROLAWDWYICHVBO-UHFFFAOYSA-N 0 1 281.827 3.903 20 0 CHADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1c(F)ccc(C)c1Cl ZINC001138029112 1131141130 /nfs/dbraw/zinc/14/11/30/1131141130.db2.gz GQAGRJVTGSLKDB-FUNVUKJBSA-N 0 1 297.801 3.929 20 0 CHADMN COc1cc(O)ccc1-c1nc2ccc(C)c(C)c2[nH]1 ZINC001116398214 1131143370 /nfs/dbraw/zinc/14/33/70/1131143370.db2.gz GVAPZUNDLKJYSA-UHFFFAOYSA-N 0 1 268.316 3.561 20 0 CHADMN CCc1ncc(CN2CCC3(CCC(C)(C)O3)CC2)s1 ZINC001237830309 1131143988 /nfs/dbraw/zinc/14/39/88/1131143988.db2.gz INEXWLBTPLAGNX-UHFFFAOYSA-N 0 1 294.464 3.629 20 0 CHADMN Cc1nc(CN2CCC(c3cccs3)CC2)ccc1F ZINC001237818459 1131144092 /nfs/dbraw/zinc/14/40/92/1131144092.db2.gz UOABBMVGIQOMQC-UHFFFAOYSA-N 0 1 290.407 3.970 20 0 CHADMN COc1ccoc1CN1CCC(c2cccs2)CC1 ZINC001237865830 1131145447 /nfs/dbraw/zinc/14/54/47/1131145447.db2.gz DXZZCSKCJFVLEN-UHFFFAOYSA-N 0 1 277.389 3.729 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CC[C@H](C)C[C@H]1C ZINC001237875231 1131146753 /nfs/dbraw/zinc/14/67/53/1131146753.db2.gz PETFPYRORVPFOB-QWHCGFSZSA-N 0 1 287.407 3.639 20 0 CHADMN CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@H]3CF)cc21 ZINC001237879344 1131147519 /nfs/dbraw/zinc/14/75/19/1131147519.db2.gz LLOWHNXVRAVMHC-MRXNPFEDSA-N 0 1 288.410 3.622 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1ccccc1C1CCOCC1 ZINC001237897775 1131148722 /nfs/dbraw/zinc/14/87/22/1131148722.db2.gz HMISQTNDWANGQS-CJNGLKHVSA-N 0 1 277.383 3.513 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc2cncn2c1C)C1CC1 ZINC001116490102 1131149637 /nfs/dbraw/zinc/14/96/37/1131149637.db2.gz ZPJHPLWUNUYHJZ-CHWSQXEVSA-N 0 1 299.418 3.682 20 0 CHADMN CCCOc1cc(F)ccc1CN(C)C[C@@H]1CCCCO1 ZINC001237904594 1131149703 /nfs/dbraw/zinc/14/97/03/1131149703.db2.gz JKYZFNNSENWKSQ-INIZCTEOSA-N 0 1 295.398 3.615 20 0 CHADMN CN(Cc1cccc(Cl)n1)C1CC(OC(C)(C)C)C1 ZINC000817288365 1131152331 /nfs/dbraw/zinc/15/23/31/1131152331.db2.gz XKSYWGCCHDDYHV-UHFFFAOYSA-N 0 1 282.815 3.513 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCc2ccc(F)cc2F)on1 ZINC001116541501 1131153456 /nfs/dbraw/zinc/15/34/56/1131153456.db2.gz FHDXEHPAICILOP-HNNXBMFYSA-N 0 1 292.329 3.641 20 0 CHADMN Cc1cccnc1CNCc1ccc(Cl)c(C)c1 ZINC001116588010 1131155631 /nfs/dbraw/zinc/15/56/31/1131155631.db2.gz YMLUHIPWXTXTDU-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN F[C@H]1CCCCN(Cc2n[nH]c3cc(Cl)ccc32)C1 ZINC001237991702 1131158007 /nfs/dbraw/zinc/15/80/07/1131158007.db2.gz AMTWNRTYCIKIJQ-NSHDSACASA-N 0 1 281.762 3.540 20 0 CHADMN CCCC[N@@H+](CC)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237990811 1131158312 /nfs/dbraw/zinc/15/83/12/1131158312.db2.gz UPFSLZUFZJMZIA-UHFFFAOYSA-N 0 1 259.752 3.807 20 0 CHADMN Oc1c(F)cc(CN2CCC[C@H]2C(F)(F)F)cc1Cl ZINC001237984007 1131158538 /nfs/dbraw/zinc/15/85/38/1131158538.db2.gz KQCULDLPKNNRLS-JTQLQIEISA-N 0 1 297.679 3.711 20 0 CHADMN C[C@H]1CCN(Cc2cc(F)c(O)c(Cl)c2)CC1(F)F ZINC001237984981 1131158872 /nfs/dbraw/zinc/15/88/72/1131158872.db2.gz TWGHCLFIUCNJCO-QMMMGPOBSA-N 0 1 293.716 3.662 20 0 CHADMN Oc1c(F)cc(CN2CC[C@@H](C(F)(F)F)C2)cc1Cl ZINC001237996668 1131159738 /nfs/dbraw/zinc/15/97/38/1131159738.db2.gz HEMDCNUFCAULAL-MRVPVSSYSA-N 0 1 297.679 3.569 20 0 CHADMN CCc1ncc(CNCc2cccc(C(F)F)c2)s1 ZINC001116686166 1131160314 /nfs/dbraw/zinc/16/03/14/1131160314.db2.gz MKXBSEFDFPXTCG-UHFFFAOYSA-N 0 1 282.359 3.933 20 0 CHADMN Cc1cc(Oc2ccccc2)ccc1CN1CC2(COC2)C1 ZINC001238063410 1131166577 /nfs/dbraw/zinc/16/65/77/1131166577.db2.gz RYTMLDJEUKPZTA-UHFFFAOYSA-N 0 1 295.382 3.620 20 0 CHADMN Cc1ccc(CC2CCN(Cc3ccc(F)cn3)CC2)cc1 ZINC001116856071 1131166867 /nfs/dbraw/zinc/16/68/67/1131166867.db2.gz WWRDPUJOTDAZPZ-UHFFFAOYSA-N 0 1 298.405 3.984 20 0 CHADMN Cc1cc(CN(C)Cc2cccnc2)cc(C)c1Cl ZINC001238088012 1131168993 /nfs/dbraw/zinc/16/89/93/1131168993.db2.gz AGNQMIBCFXNISL-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c([O-])cc2F)CC1 ZINC001238146712 1131174491 /nfs/dbraw/zinc/17/44/91/1131174491.db2.gz MAQFGQBXAUHUNH-SNVBAGLBSA-N 0 1 271.763 3.807 20 0 CHADMN C[C@]1(F)CCC[N@@H+](Cc2cc(Cl)c([O-])cc2F)CC1 ZINC001238142887 1131174851 /nfs/dbraw/zinc/17/48/51/1131174851.db2.gz IZPPFOORRGDKRW-AWEZNQCLSA-N 0 1 289.753 3.899 20 0 CHADMN Oc1cc(F)c(CN2Cc3ccc(F)cc3C2)cc1Cl ZINC001238152732 1131175494 /nfs/dbraw/zinc/17/54/94/1131175494.db2.gz QFOSTPZADOMEJL-UHFFFAOYSA-N 0 1 295.716 3.840 20 0 CHADMN CCN(Cc1cccnc1)Cc1cc(Cl)c(O)cc1F ZINC001238152403 1131176590 /nfs/dbraw/zinc/17/65/90/1131176590.db2.gz PHCSZBXDWBWHEY-UHFFFAOYSA-N 0 1 294.757 3.602 20 0 CHADMN F[C@H]1CCN(Cc2cncc(C3CC3)c2)CCC1(F)F ZINC001238188307 1131177763 /nfs/dbraw/zinc/17/77/63/1131177763.db2.gz UNKGVVUXCVCJFC-AWEZNQCLSA-N 0 1 284.325 3.528 20 0 CHADMN c1cc([C@H]2CCCN2Cc2cncc(C3CC3)c2)ccn1 ZINC001238184036 1131178373 /nfs/dbraw/zinc/17/83/73/1131178373.db2.gz HRHOLSXDRGFXJC-GOSISDBHSA-N 0 1 279.387 3.691 20 0 CHADMN c1ccc([C@@H]2CCN2Cc2cncc(C3CC3)c2)cc1 ZINC001238195405 1131179779 /nfs/dbraw/zinc/17/97/79/1131179779.db2.gz ZKLIDICVUFOUJI-SFHVURJKSA-N 0 1 264.372 3.906 20 0 CHADMN Cc1c(Cl)ccc(CN2CC3(C2)CCCOC3)c1C ZINC001238212311 1131180239 /nfs/dbraw/zinc/18/02/39/1131180239.db2.gz PFAYEEQHWDUSCF-UHFFFAOYSA-N 0 1 279.811 3.569 20 0 CHADMN c1csc(-c2cccc(CN3CC4(CCC4)C3)n2)c1 ZINC001238211153 1131181307 /nfs/dbraw/zinc/18/13/07/1131181307.db2.gz OLSXIQKTDNJFAY-UHFFFAOYSA-N 0 1 270.401 3.796 20 0 CHADMN CC(=O)[C@@H]1CCCN(Cc2ccc(Cl)c(C)c2C)C1 ZINC001238220034 1131183395 /nfs/dbraw/zinc/18/33/95/1131183395.db2.gz SZNNIPKGCUSLOD-OAHLLOKOSA-N 0 1 279.811 3.758 20 0 CHADMN CCc1ccc([C@H](NCc2csc(N)n2)C(C)C)cc1 ZINC000817840742 1131185198 /nfs/dbraw/zinc/18/51/98/1131185198.db2.gz BRJGVDHWFAJAOV-OAHLLOKOSA-N 0 1 289.448 3.775 20 0 CHADMN Cc1cc(CN2CCCC[C@](C)(O)C2)c(F)cc1Cl ZINC001238300569 1131188392 /nfs/dbraw/zinc/18/83/92/1131188392.db2.gz SDWWXDHBGZRASL-HNNXBMFYSA-N 0 1 285.790 3.524 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001238320538 1131189560 /nfs/dbraw/zinc/18/95/60/1131189560.db2.gz UNSRXXNTVYWCMN-KCQAQPDRSA-N 0 1 281.346 3.545 20 0 CHADMN CCN(CCn1cccn1)Cc1cc(C)c(Cl)cc1F ZINC001238303793 1131189629 /nfs/dbraw/zinc/18/96/29/1131189629.db2.gz XVNAQOMKKWSCFZ-UHFFFAOYSA-N 0 1 295.789 3.506 20 0 CHADMN COc1cc(CN2CCCCC[C@@H]2C)c(Cl)cn1 ZINC001238359151 1131192149 /nfs/dbraw/zinc/19/21/49/1131192149.db2.gz ZJRUFHTXAUZBQG-NSHDSACASA-N 0 1 268.788 3.508 20 0 CHADMN C[C@]12CCN(Cc3cccn3C3CC3)C[C@H]1C2(Cl)Cl ZINC001117744555 1131194678 /nfs/dbraw/zinc/19/46/78/1131194678.db2.gz NSLBWSJBRSXNKV-KGLIPLIRSA-N 0 1 299.245 3.839 20 0 CHADMN Cc1cc(CN(C)Cc2cccs2)cnc1OC(C)C ZINC001238389366 1131194810 /nfs/dbraw/zinc/19/48/10/1131194810.db2.gz HWKFDFTZIPULAB-UHFFFAOYSA-N 0 1 290.432 3.871 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(C)c(Cl)cn2)cc1 ZINC001238419640 1131197000 /nfs/dbraw/zinc/19/70/00/1131197000.db2.gz KGTYOJAPNCOHKP-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN COC1(C)CCN(Cc2cccc(OC(C)C)c2F)CC1 ZINC001238421135 1131197840 /nfs/dbraw/zinc/19/78/40/1131197840.db2.gz AKKAWUBROWFFBY-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN Cc1noc(C)c1CN(C)Cc1cccc2ccoc21 ZINC001117784713 1131199774 /nfs/dbraw/zinc/19/97/74/1131199774.db2.gz WEEAHLBJYBCOJI-UHFFFAOYSA-N 0 1 270.332 3.670 20 0 CHADMN Cc1cnc(CN2CCSC[C@H]2c2ccccc2)c(C)c1 ZINC001238431834 1131200666 /nfs/dbraw/zinc/20/06/66/1131200666.db2.gz IGARNPZTRJHOIG-SFHVURJKSA-N 0 1 298.455 3.989 20 0 CHADMN CC(C)Oc1cc(CN(C)C2CC(F)(F)C2)ccc1F ZINC001238455386 1131202334 /nfs/dbraw/zinc/20/23/34/1131202334.db2.gz VSMWYOGDQVAARJ-UHFFFAOYSA-N 0 1 287.325 3.842 20 0 CHADMN CC(C)Oc1ccc(CN2C[C@H]3[C@H](CC3(F)F)C2)c(F)c1 ZINC001238445681 1131202432 /nfs/dbraw/zinc/20/24/32/1131202432.db2.gz VLQCPYMKVCATLK-OCCSQVGLSA-N 0 1 299.336 3.700 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1cnc(F)c(OC)c1 ZINC001238462224 1131203295 /nfs/dbraw/zinc/20/32/95/1131203295.db2.gz JOSAPZOIPYDEHF-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN CC(C)Oc1cncc(CN(C)Cc2ccccc2)c1 ZINC001238462359 1131203387 /nfs/dbraw/zinc/20/33/87/1131203387.db2.gz DHJWPQJIIYWGPX-UHFFFAOYSA-N 0 1 270.376 3.501 20 0 CHADMN CC(C)Oc1cncc(CN2CCc3ccccc3[C@H]2C)c1 ZINC001238461294 1131204359 /nfs/dbraw/zinc/20/43/59/1131204359.db2.gz FAOCXZJNWQBYGC-OAHLLOKOSA-N 0 1 296.414 3.988 20 0 CHADMN Cc1ccccc1CN(C)Cc1cncc(OC(C)C)c1 ZINC001238464537 1131204713 /nfs/dbraw/zinc/20/47/13/1131204713.db2.gz FLNGDLRBNMVMMH-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN COc1c(CN2CC[C@@H](C)C[C@H]2C)ccc(F)c1F ZINC001238474100 1131205221 /nfs/dbraw/zinc/20/52/21/1131205221.db2.gz UOPMDSMAOPQNIE-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ccc(F)c(F)c1OC ZINC001238472486 1131205497 /nfs/dbraw/zinc/20/54/97/1131205497.db2.gz MBYLTUVXVUBZOA-GFCCVEGCSA-N 0 1 269.335 3.738 20 0 CHADMN CC(C)(O)c1ccc(CN[C@@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC000818231556 1131205669 /nfs/dbraw/zinc/20/56/69/1131205669.db2.gz YBTGWPSMAMKCCT-IEBWSBKVSA-N 0 1 299.389 3.641 20 0 CHADMN COc1ccccc1C1(NCc2ccoc2C)CCC1 ZINC001117945479 1131205739 /nfs/dbraw/zinc/20/57/39/1131205739.db2.gz SVXPJGVCZYLVDN-UHFFFAOYSA-N 0 1 271.360 3.766 20 0 CHADMN COc1c(CN2CCC[C@H](C)[C@@H]2C)ccc(F)c1F ZINC001238476987 1131205975 /nfs/dbraw/zinc/20/59/75/1131205975.db2.gz LHIDNWTZBHVGJI-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN Cc1nc(CN[C@@H]2CCc3cccc(Cl)c3C2)c(C)o1 ZINC001170892938 1131206475 /nfs/dbraw/zinc/20/64/75/1131206475.db2.gz KPVHITIXPYPSDZ-CYBMUJFWSA-N 0 1 290.794 3.592 20 0 CHADMN CCOc1cc(CN2C[C@@H]3C[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001238497839 1131209226 /nfs/dbraw/zinc/20/92/26/1131209226.db2.gz COHKMXVAFZHHCM-TXEJJXNPSA-N 0 1 285.309 3.556 20 0 CHADMN CCCO[C@H]1CC[N@@H+](Cc2ccc(F)c(C3CC3)c2)C1 ZINC001238503226 1131210553 /nfs/dbraw/zinc/21/05/53/1131210553.db2.gz YWPDBRGTQHRSIR-HNNXBMFYSA-N 0 1 277.383 3.704 20 0 CHADMN Cc1c(Cl)ccc(CN2CC[C@@H](C)[C@](C)(O)CC2)c1F ZINC001238512803 1131212634 /nfs/dbraw/zinc/21/26/34/1131212634.db2.gz PGAROPVMAMWRKQ-BDJLRTHQSA-N 0 1 299.817 3.770 20 0 CHADMN CCCN(CCOC)Cc1cc(C)ccc1Cl ZINC001238560483 1131216231 /nfs/dbraw/zinc/21/62/31/1131216231.db2.gz NNHCYPRLTVVHLO-UHFFFAOYSA-N 0 1 255.789 3.507 20 0 CHADMN Cc1c(-c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)ccc2cncn21 ZINC001118325510 1131218077 /nfs/dbraw/zinc/21/80/77/1131218077.db2.gz GAERABNSKLSUJN-NILFDRSVSA-N 0 1 294.358 3.596 20 0 CHADMN CC(C)Oc1cc(CN2CCC[C@@H](C)[C@@H]2C)cnc1F ZINC001238591367 1131219215 /nfs/dbraw/zinc/21/92/15/1131219215.db2.gz BCCQSTYSSYLUQC-OLZOCXBDSA-N 0 1 280.387 3.628 20 0 CHADMN CC(C)Oc1cc(CN2[C@H](C)CCC[C@@H]2C)cnc1F ZINC001238591187 1131219882 /nfs/dbraw/zinc/21/98/82/1131219882.db2.gz YNHGBHPNWKBPJW-BETUJISGSA-N 0 1 280.387 3.771 20 0 CHADMN Cc1cnc(-c2ccccc2)c(CN2CC[C@@H](F)C2)c1 ZINC001238612227 1131221465 /nfs/dbraw/zinc/22/14/65/1131221465.db2.gz BVRDHRXLBNQVIZ-MRXNPFEDSA-N 0 1 270.351 3.601 20 0 CHADMN Cc1cc(CN2CCC(F)(F)[C@H](C)C2)cnc1C1CC1 ZINC001238622008 1131224961 /nfs/dbraw/zinc/22/49/61/1131224961.db2.gz YJGSPIWLOLEFJJ-GFCCVEGCSA-N 0 1 280.362 3.745 20 0 CHADMN CC(C)(C)c1nc(CNC2CC3(CC3(F)F)C2)cs1 ZINC001118423975 1131225258 /nfs/dbraw/zinc/22/52/58/1131225258.db2.gz RWVBLHBKHCAVKC-UHFFFAOYSA-N 0 1 286.391 3.718 20 0 CHADMN CSc1ccc(Cl)cc1CN1CC[C@](C)(O)[C@H](C)C1 ZINC001238673196 1131229441 /nfs/dbraw/zinc/22/94/41/1131229441.db2.gz VIZABGUSNVLSMI-ABAIWWIYSA-N 0 1 299.867 3.655 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1cccnc1Br ZINC001137798203 1131417873 /nfs/dbraw/zinc/41/78/73/1131417873.db2.gz XYBCAGBPYISFCT-CYBMUJFWSA-N 0 1 297.240 3.999 20 0 CHADMN Cc1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c(Br)c1 ZINC001137808498 1131418771 /nfs/dbraw/zinc/41/87/71/1131418771.db2.gz SGQJVXQKUQUJKG-OBJOEFQTSA-N 0 1 298.199 3.690 20 0 CHADMN C[C@@H]1CCN[C@H](c2nc(-c3ccc(Cl)cc3F)no2)C1 ZINC000823247808 1131420077 /nfs/dbraw/zinc/42/00/77/1131420077.db2.gz KEIQULLTGWWEEF-PELKAZGASA-N 0 1 295.745 3.590 20 0 CHADMN Fc1cc(F)c(F)c(CN2CCc3ccccc3CC2)c1 ZINC001137872461 1131427085 /nfs/dbraw/zinc/42/70/85/1131427085.db2.gz RDPUVMDEAUUGRP-UHFFFAOYSA-N 0 1 291.316 3.705 20 0 CHADMN C[C@@H](NCc1cc(C2CC2)nn1C)c1ccc(Cl)s1 ZINC000823624961 1131434292 /nfs/dbraw/zinc/43/42/92/1131434292.db2.gz LQBKIZWGEDVKHT-SECBINFHSA-N 0 1 295.839 3.863 20 0 CHADMN Cc1ccc(CN2CC[C@@H](COCC3CC3)C2)c(F)c1F ZINC001137970147 1131444264 /nfs/dbraw/zinc/44/42/64/1131444264.db2.gz XOELXLVBTCQRSV-CQSZACIVSA-N 0 1 295.373 3.522 20 0 CHADMN Cc1ccc(CN2CCC(C)(C)CC2)c(F)c1F ZINC001137968489 1131444544 /nfs/dbraw/zinc/44/45/44/1131444544.db2.gz HHOSWYLGLPFQIU-UHFFFAOYSA-N 0 1 253.336 3.895 20 0 CHADMN FC[C@H]1[C@@H]2CN(Cc3cc4ccccc4nc3Cl)C[C@H]12 ZINC001137978995 1131446466 /nfs/dbraw/zinc/44/64/66/1131446466.db2.gz WVPVYBQYELQLJS-ZSOGYDGISA-N 0 1 290.769 3.536 20 0 CHADMN CCN(C)Cc1cc(C(F)(F)F)cc(Cl)c1F ZINC001137985270 1131446958 /nfs/dbraw/zinc/44/69/58/1131446958.db2.gz DQKZCFCORQYTSX-UHFFFAOYSA-N 0 1 269.669 3.950 20 0 CHADMN CC[C@@](C)(NCc1ccncc1F)c1ccccc1 ZINC000823887855 1131447354 /nfs/dbraw/zinc/44/73/54/1131447354.db2.gz TVFVXJOIMIGJQB-MRXNPFEDSA-N 0 1 258.340 3.636 20 0 CHADMN Cc1ccc(CN(C)Cc2ccncn2)c2ccccc12 ZINC001138018143 1131451913 /nfs/dbraw/zinc/45/19/13/1131451913.db2.gz LQFRGXDCSDLWNG-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC[C@@]3(CCOC3)C2)c1F ZINC001138030827 1131455587 /nfs/dbraw/zinc/45/55/87/1131455587.db2.gz UEYLHDJGKHTUHK-MRXNPFEDSA-N 0 1 297.801 3.790 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC[C@]3(CCOC3)C2)c1F ZINC001138030826 1131455610 /nfs/dbraw/zinc/45/56/10/1131455610.db2.gz UEYLHDJGKHTUHK-INIZCTEOSA-N 0 1 297.801 3.790 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cc2cc(F)ncc2F)C1 ZINC000824320629 1131462559 /nfs/dbraw/zinc/46/25/59/1131462559.db2.gz ILYBGPZMCNFRRA-GFCCVEGCSA-N 0 1 268.351 3.618 20 0 CHADMN CC(=O)c1ccc([C@H](C)Nc2cc(C)c3nc[nH]c3n2)cc1 ZINC001171052879 1131463494 /nfs/dbraw/zinc/46/34/94/1131463494.db2.gz CRALINYAIMGFID-NSHDSACASA-N 0 1 294.358 3.642 20 0 CHADMN CCOc1cccc(CN2CCc3cc(C)ccc3C2)c1 ZINC001138102460 1131464424 /nfs/dbraw/zinc/46/44/24/1131464424.db2.gz NHKKGKDWADRWBT-UHFFFAOYSA-N 0 1 281.399 3.952 20 0 CHADMN C[C@H](C1CCCCC1)N(C)Cc1cc(F)ncc1F ZINC000824345025 1131464512 /nfs/dbraw/zinc/46/45/12/1131464512.db2.gz WAZASTBJCMJLJQ-LLVKDONJSA-N 0 1 268.351 3.760 20 0 CHADMN O=C1CCN(Cc2ccc3ncccc3c2)[C@@H]2CCCC[C@@H]12 ZINC001138103507 1131464728 /nfs/dbraw/zinc/46/47/28/1131464728.db2.gz DXQYXQQORREAFP-SJLPKXTDSA-N 0 1 294.398 3.568 20 0 CHADMN Cc1nc2c(s1)CN(Cc1ccc3ncccc3c1)CC2 ZINC001138110418 1131465866 /nfs/dbraw/zinc/46/58/66/1131465866.db2.gz DRYAPSULGLWNKM-UHFFFAOYSA-N 0 1 295.411 3.558 20 0 CHADMN Clc1cccc2[nH]c(CN3CCC[C@@H]4C[C@@H]43)cc21 ZINC001136863499 1131465804 /nfs/dbraw/zinc/46/58/04/1131465804.db2.gz FBOMEVSYWWAWRW-BMIGLBTASA-N 0 1 260.768 3.806 20 0 CHADMN CC(=O)c1ccc([C@H](C)Nc2cncc3nc(C)[nH]c32)cc1 ZINC001171055290 1131468510 /nfs/dbraw/zinc/46/85/10/1131468510.db2.gz DIEPHXTWGWKSSZ-JTQLQIEISA-N 0 1 294.358 3.642 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H](C)C[C@H]2C)c1F ZINC001138119738 1131468704 /nfs/dbraw/zinc/46/87/04/1131468704.db2.gz RFQBRSYKNGBZNV-CMPLNLGQSA-N 0 1 253.336 3.894 20 0 CHADMN Clc1cccc2c1CC[C@H](N1CCc3occc3C1)C2 ZINC001171055209 1131469321 /nfs/dbraw/zinc/46/93/21/1131469321.db2.gz DUEGQFWEHLJWDF-AWEZNQCLSA-N 0 1 287.790 3.849 20 0 CHADMN CCN(Cc1cnc2cc(C)ccn12)Cc1ccc(C)cc1 ZINC001136892408 1131473336 /nfs/dbraw/zinc/47/33/36/1131473336.db2.gz HYORXWLACWMPQZ-UHFFFAOYSA-N 0 1 293.414 3.973 20 0 CHADMN Cc1ccn2c(CN3CCC(F)(F)C(C)(C)C3)cnc2c1 ZINC001136885388 1131473668 /nfs/dbraw/zinc/47/36/68/1131473668.db2.gz SYXFLNUAVYUBKU-UHFFFAOYSA-N 0 1 293.361 3.510 20 0 CHADMN CC(C)(C)c1nnc(CN2CCCC[C@H]2C2CCC2)o1 ZINC000830988726 1131474795 /nfs/dbraw/zinc/47/47/95/1131474795.db2.gz ODCVKWHICCAGAB-ZDUSSCGKSA-N 0 1 277.412 3.522 20 0 CHADMN C[C@@H]1CN(Cc2ccc(N3CCCCC3)o2)CCC1(F)F ZINC001138172024 1131474992 /nfs/dbraw/zinc/47/49/92/1131474992.db2.gz IQJDKUGGZPQHHC-CYBMUJFWSA-N 0 1 298.377 3.747 20 0 CHADMN C[C@@]12CN(Cc3ccnc(Cl)c3F)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000824701869 1131479996 /nfs/dbraw/zinc/47/99/96/1131479996.db2.gz DDIPVJXQKWQWBB-LESCFKLSSA-N 0 1 292.785 3.518 20 0 CHADMN Cc1cccc(C)c1CN1CC[C@@](C)(F)[C@H](F)C1 ZINC001137847800 1131481728 /nfs/dbraw/zinc/48/17/28/1131481728.db2.gz GAOYYENNXDPKRY-HUUCEWRRSA-N 0 1 253.336 3.575 20 0 CHADMN C[C@@]1(F)CCCN(Cc2c[nH]c3cccc(F)c23)C1 ZINC001136979436 1131494697 /nfs/dbraw/zinc/49/46/97/1131494697.db2.gz JYFGOAUTKHVPEQ-OAHLLOKOSA-N 0 1 264.319 3.631 20 0 CHADMN CCCCC1CCN(Cc2nc3ccccc3n2C)CC1 ZINC001138377488 1131495947 /nfs/dbraw/zinc/49/59/47/1131495947.db2.gz ZGIZSNWCQZKLPW-UHFFFAOYSA-N 0 1 285.435 3.976 20 0 CHADMN CCc1nc(CNCCC2CCCCCC2)co1 ZINC000825061680 1131496939 /nfs/dbraw/zinc/49/69/39/1131496939.db2.gz ITFRMRGFTJENDA-UHFFFAOYSA-N 0 1 250.386 3.687 20 0 CHADMN C[C@@H]1CCCC[C@H]1C[N@@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000825152615 1131499275 /nfs/dbraw/zinc/49/92/75/1131499275.db2.gz ADAUCCGNOILCMJ-OLZOCXBDSA-N 0 1 296.480 3.629 20 0 CHADMN C[C@@H]1CCCC[C@H]1CN(C)Cc1csc(C(C)(C)O)n1 ZINC000825152615 1131499276 /nfs/dbraw/zinc/49/92/76/1131499276.db2.gz ADAUCCGNOILCMJ-OLZOCXBDSA-N 0 1 296.480 3.629 20 0 CHADMN COc1c(F)cc(CN2[C@@H](C)CCC[C@@H]2C)cc1F ZINC001138420705 1131502288 /nfs/dbraw/zinc/50/22/88/1131502288.db2.gz PUVNNHZJHJOLSM-QWRGUYRKSA-N 0 1 269.335 3.736 20 0 CHADMN COc1c(C)cc(CN2CCc3c(O)cccc3C2)cc1C ZINC001138425872 1131503654 /nfs/dbraw/zinc/50/36/54/1131503654.db2.gz PMUJMYBOJOEHRN-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN COc1c(F)cc(CN2CCCC3(CCC3)C2)cc1F ZINC001138427496 1131503887 /nfs/dbraw/zinc/50/38/87/1131503887.db2.gz PTCJLMANIJOPNF-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN CCOc1ccc(CN2Cc3ccccc3C2)c(C)c1 ZINC001138431072 1131504741 /nfs/dbraw/zinc/50/47/41/1131504741.db2.gz RPVLYTRGYQLTHW-UHFFFAOYSA-N 0 1 267.372 3.910 20 0 CHADMN CCOc1ccc(CN2CC[C@@H](C)[C@H](F)C2)c(C)c1 ZINC001138430768 1131505396 /nfs/dbraw/zinc/50/53/96/1131505396.db2.gz ICPLZQRRUYFYFQ-MLGOLLRUSA-N 0 1 265.372 3.574 20 0 CHADMN FC(F)(F)c1cnc(CN2CCC[C@@H]2c2ccccc2)[nH]1 ZINC001137016390 1131505607 /nfs/dbraw/zinc/50/56/07/1131505607.db2.gz VRZXTWHBKOEGBR-GFCCVEGCSA-N 0 1 295.308 3.766 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN2CCCCC23CC3)cc1 ZINC001138446508 1131506952 /nfs/dbraw/zinc/50/69/52/1131506952.db2.gz AWRGURGOJXKSNX-UHFFFAOYSA-N 0 1 281.403 3.904 20 0 CHADMN Cc1cc(CN(C)Cc2sc3ccccc3c2C)n(C)n1 ZINC001138460808 1131508882 /nfs/dbraw/zinc/50/88/82/1131508882.db2.gz UIYNIPGCDHJAMG-UHFFFAOYSA-N 0 1 299.443 3.884 20 0 CHADMN Cc1c2ccccc2sc1CN1CC(C(F)F)C1 ZINC001138462472 1131509158 /nfs/dbraw/zinc/50/91/58/1131509158.db2.gz UNTQSTVHOLBUDZ-UHFFFAOYSA-N 0 1 267.344 3.907 20 0 CHADMN COc1ccc(CN2CCCCC23CC3)cc1Cl ZINC001138474316 1131510495 /nfs/dbraw/zinc/51/04/95/1131510495.db2.gz CBKVHCPSNLGOCU-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN COc1ccc(Cl)cc1CN1CCC12CCCC2 ZINC001138480157 1131511529 /nfs/dbraw/zinc/51/15/29/1131511529.db2.gz OEINIUXTYBFMPS-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN COc1ccc2[nH]cc(CN3CCc4sccc4C3)c2c1 ZINC001138506884 1131514545 /nfs/dbraw/zinc/51/45/45/1131514545.db2.gz XZFYMSRYPRLMFX-UHFFFAOYSA-N 0 1 298.411 3.796 20 0 CHADMN CCc1coc(CN[C@@H]2CCc3cc(Cl)ccc3C2)n1 ZINC001171092096 1131515208 /nfs/dbraw/zinc/51/52/08/1131515208.db2.gz UNKORJLLBRKEEN-OAHLLOKOSA-N 0 1 290.794 3.538 20 0 CHADMN CCCc1ccc(CN2CCc3c(O)cccc3C2)s1 ZINC001138523877 1131516764 /nfs/dbraw/zinc/51/67/64/1131516764.db2.gz PPMVIBYFTXUBLB-UHFFFAOYSA-N 0 1 287.428 3.965 20 0 CHADMN CC[C@H]1CCCN1Cc1c(F)ccc(OC)c1Cl ZINC001143371137 1131518644 /nfs/dbraw/zinc/51/86/44/1131518644.db2.gz GZCFAWCMDFWNGS-JTQLQIEISA-N 0 1 271.763 3.862 20 0 CHADMN COc1ccc(CN2CCC3(CC3)C2)cc1C(F)(F)F ZINC001143636905 1131520150 /nfs/dbraw/zinc/52/01/50/1131520150.db2.gz RGMPNBNQIBTEFJ-UHFFFAOYSA-N 0 1 285.309 3.700 20 0 CHADMN CC(C)c1cnc(CN2CCCCCCCC2)o1 ZINC000831933037 1131521540 /nfs/dbraw/zinc/52/15/40/1131521540.db2.gz QZAIGXKVOYVRLH-UHFFFAOYSA-N 0 1 250.386 3.954 20 0 CHADMN Cc1cc(CN(C)Cc2cccnc2C)c(C)s1 ZINC001138570132 1131521948 /nfs/dbraw/zinc/52/19/48/1131521948.db2.gz SEHCLUUHXZDOLE-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN Cc1ccc(C(F)(F)F)c(CN2CCC[C@]3(CCO3)C2)c1 ZINC001143681134 1131523555 /nfs/dbraw/zinc/52/35/55/1131523555.db2.gz RZQUIVSGDJVACU-HNNXBMFYSA-N 0 1 299.336 3.769 20 0 CHADMN Cc1ccc(C(F)(F)F)c(CN2CCC[C@@]23CCOC3)c1 ZINC001143680482 1131523788 /nfs/dbraw/zinc/52/37/88/1131523788.db2.gz DIWOMKYZZLDXMO-HNNXBMFYSA-N 0 1 299.336 3.769 20 0 CHADMN COc1ccc2c(C[N@@H+](C)Cc3cccnc3C)c[nH]c2c1 ZINC001138591727 1131524289 /nfs/dbraw/zinc/52/42/89/1131524289.db2.gz GJMRUYZZJLXQNJ-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN COc1ccc2c(CN(C)Cc3cccnc3C)c[nH]c2c1 ZINC001138591727 1131524291 /nfs/dbraw/zinc/52/42/91/1131524291.db2.gz GJMRUYZZJLXQNJ-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN COc1ccc(-c2cccc(CN3CCO[C@H](C)C3)c2)cc1 ZINC001138614040 1131526523 /nfs/dbraw/zinc/52/65/23/1131526523.db2.gz PTEPUTRMQVOGPB-OAHLLOKOSA-N 0 1 297.398 3.583 20 0 CHADMN Fc1ccccc1-n1cccc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001138633258 1131531343 /nfs/dbraw/zinc/53/13/43/1131531343.db2.gz SFDAMNWZMQAJBR-NOLJZWGESA-N 0 1 288.341 3.549 20 0 CHADMN CCn1nc(C)c(CN2CCCC[C@H]2c2cccnc2)c1C ZINC001138644334 1131531730 /nfs/dbraw/zinc/53/17/30/1131531730.db2.gz KGPWCDZTTLUMDU-SFHVURJKSA-N 0 1 298.434 3.642 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC3(CCCO3)CC2)c1 ZINC001138674515 1131535259 /nfs/dbraw/zinc/53/52/59/1131535259.db2.gz TXPIHVDAYKXTAK-UHFFFAOYSA-N 0 1 283.774 3.624 20 0 CHADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)ccc1Cl ZINC001138675472 1131536296 /nfs/dbraw/zinc/53/62/96/1131536296.db2.gz XLFMFMPYUQLHKZ-PBWFPOADSA-N 0 1 283.774 3.621 20 0 CHADMN C[C@@H]1CN(Cc2ccc(-c3ccc(F)cc3)cc2)CCO1 ZINC001138681665 1131536363 /nfs/dbraw/zinc/53/63/63/1131536363.db2.gz GHDBMDJDJDYVOB-CQSZACIVSA-N 0 1 285.362 3.713 20 0 CHADMN CNc1ncccc1CN1CCC[C@@H]1c1cccs1 ZINC001138692064 1131538221 /nfs/dbraw/zinc/53/82/21/1131538221.db2.gz DLOHRFGVJVBZCI-CYBMUJFWSA-N 0 1 273.405 3.522 20 0 CHADMN O[C@H](c1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1)C1CCC1 ZINC000844234456 1131542067 /nfs/dbraw/zinc/54/20/67/1131542067.db2.gz JJAKRVQIRZNMJT-AWEZNQCLSA-N 0 1 296.292 3.929 20 0 CHADMN COc1cc(Cl)cc(CN2CCC[C@H](C)[C@H]2C)c1OC ZINC001138746826 1131544542 /nfs/dbraw/zinc/54/45/42/1131544542.db2.gz OZTQQAICJHETQT-NWDGAFQWSA-N 0 1 297.826 3.978 20 0 CHADMN CC1(C)CN(Cc2cccc3ccnn32)Cc2ccccc21 ZINC001138807675 1131550631 /nfs/dbraw/zinc/55/06/31/1131550631.db2.gz RYOIEANYHRTTHB-UHFFFAOYSA-N 0 1 291.398 3.628 20 0 CHADMN F[C@@H]1CN(Cc2c[nH]c3c2cccc3Cl)C[C@@H]2C[C@@H]21 ZINC001138832636 1131554216 /nfs/dbraw/zinc/55/42/16/1131554216.db2.gz KDDFMNMKVJZDCD-DUFXMDAXSA-N 0 1 278.758 3.611 20 0 CHADMN CC(=O)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2C)C1 ZINC001143930101 1131557679 /nfs/dbraw/zinc/55/76/79/1131557679.db2.gz LHWVIOSOKISGPE-CQSZACIVSA-N 0 1 299.336 3.815 20 0 CHADMN CN(Cc1cc(F)cnc1Cl)C1CCCCC1 ZINC001138889058 1131558393 /nfs/dbraw/zinc/55/83/93/1131558393.db2.gz WTVFJKRCDIGBLI-UHFFFAOYSA-N 0 1 256.752 3.639 20 0 CHADMN FC(F)Oc1ccccc1CN1CCC[C@@H](C(F)F)C1 ZINC001138911445 1131560267 /nfs/dbraw/zinc/56/02/67/1131560267.db2.gz VCTCMROJOBGFFH-LLVKDONJSA-N 0 1 291.288 3.765 20 0 CHADMN FC(F)Oc1ccccc1CN1CCC[C@H](C(F)F)C1 ZINC001138911446 1131560503 /nfs/dbraw/zinc/56/05/03/1131560503.db2.gz VCTCMROJOBGFFH-NSHDSACASA-N 0 1 291.288 3.765 20 0 CHADMN COc1ccc(F)c(CN2CCCC[C@H](C)C2)c1F ZINC001143970044 1131561185 /nfs/dbraw/zinc/56/11/85/1131561185.db2.gz FQSGYNXCXRMZDA-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN COc1ccc(F)c(CN2CC[C@H]3CCC[C@@H]3C2)c1F ZINC001143967600 1131561195 /nfs/dbraw/zinc/56/11/95/1131561195.db2.gz JZPRCGBTMZUTBA-VXGBXAGGSA-N 0 1 281.346 3.595 20 0 CHADMN FC1(F)C[C@@]12CCCN(Cc1cccc(Cl)c1)C2 ZINC000844437720 1131564136 /nfs/dbraw/zinc/56/41/36/1131564136.db2.gz VVRUQQRBXFSVOG-CYBMUJFWSA-N 0 1 271.738 3.961 20 0 CHADMN COc1ccc(F)c(CN(CC2CC2)C(C)C)c1F ZINC001143979309 1131565311 /nfs/dbraw/zinc/56/53/11/1131565311.db2.gz YYWKATXJDTVIGW-UHFFFAOYSA-N 0 1 269.335 3.594 20 0 CHADMN C[C@@H]1CCC(C)(C)N1Cc1ccnc(Br)c1 ZINC000832565539 1131568960 /nfs/dbraw/zinc/56/89/60/1131568960.db2.gz UTTKSFSKOFUBTJ-SNVBAGLBSA-N 0 1 283.213 3.607 20 0 CHADMN CCOc1c(F)cc(CN2C[C@H](C)CC23CC3)cc1F ZINC001144032151 1131570974 /nfs/dbraw/zinc/57/09/74/1131570974.db2.gz KOVDKXNJZIDHFD-LLVKDONJSA-N 0 1 281.346 3.738 20 0 CHADMN CCOc1ccc(Cl)cc1CN(C)C[C@@H]1CCCCO1 ZINC001139009737 1131571030 /nfs/dbraw/zinc/57/10/30/1131571030.db2.gz RLUCGACIWGINKR-HNNXBMFYSA-N 0 1 297.826 3.740 20 0 CHADMN c1csc(-c2ccc(CN3CCCOCC3)s2)c1 ZINC001139017220 1131572924 /nfs/dbraw/zinc/57/29/24/1131572924.db2.gz LWVIXFULICUZLQ-UHFFFAOYSA-N 0 1 279.430 3.699 20 0 CHADMN CCN(Cc1ccc(-c2cccs2)s1)C1CN(C)C1 ZINC001139020174 1131574064 /nfs/dbraw/zinc/57/40/64/1131574064.db2.gz ZPHHRKQRXXQTLP-UHFFFAOYSA-N 0 1 292.473 3.613 20 0 CHADMN Clc1ccc2c(c1)CC[C@@H](N1CCc3ccncc3C1)C2 ZINC001171130118 1131575155 /nfs/dbraw/zinc/57/51/55/1131575155.db2.gz QCEBQVXTXFNOFK-GOSISDBHSA-N 0 1 298.817 3.651 20 0 CHADMN CCCCCN(C)Cc1ccc(OC)c(OC)c1Cl ZINC001139114586 1131582575 /nfs/dbraw/zinc/58/25/75/1131582575.db2.gz IANOFEJDOCEZTF-UHFFFAOYSA-N 0 1 285.815 3.979 20 0 CHADMN Cc1c(O)cccc1CN1CCSC[C@H]1c1ccccc1 ZINC001144119013 1131587238 /nfs/dbraw/zinc/58/72/38/1131587238.db2.gz PEQGYPRRYAHRKA-KRWDZBQOSA-N 0 1 299.439 3.991 20 0 CHADMN Cn1ccc2c1cccc2CN1CCCC(F)(F)[C@@H](F)C1 ZINC001139156335 1131587934 /nfs/dbraw/zinc/58/79/34/1131587934.db2.gz DHTGCBSBBKSCPF-HNNXBMFYSA-N 0 1 296.336 3.748 20 0 CHADMN Cc1cccc2c1CN(Cc1cccc(O)c1C)C2 ZINC001144107655 1131588571 /nfs/dbraw/zinc/58/85/71/1131588571.db2.gz NVDSJJAGYDBRQT-UHFFFAOYSA-N 0 1 253.345 3.525 20 0 CHADMN Cn1ccc2c1cccc2CN1CCC[C@H]1c1nccs1 ZINC001139161035 1131588956 /nfs/dbraw/zinc/58/89/56/1131588956.db2.gz CVMCBDSGJDMODI-INIZCTEOSA-N 0 1 297.427 3.972 20 0 CHADMN CCn1ccc2c1cccc2CN1CCCC[C@H]1C(C)=O ZINC001139158484 1131589545 /nfs/dbraw/zinc/58/95/45/1131589545.db2.gz OSPXYFNJPOFERM-KRWDZBQOSA-N 0 1 284.403 3.605 20 0 CHADMN CCOc1ccc(CN[C@H]2C[C@]2(F)c2ccccc2)cc1 ZINC001202903697 1131590369 /nfs/dbraw/zinc/59/03/69/1131590369.db2.gz UFTOCIMVXAEUKR-ROUUACIJSA-N 0 1 285.362 3.812 20 0 CHADMN O=C1CC2(CCCC2)N1CN1CCCC[C@H]1c1ccccc1 ZINC000844701711 1131595182 /nfs/dbraw/zinc/59/51/82/1131595182.db2.gz KKBJSBGLVPNSPR-KRWDZBQOSA-N 0 1 298.430 3.716 20 0 CHADMN CN(Cc1c2ccccc2[nH]c1-c1ccccc1)C1COC1 ZINC001139199964 1131595565 /nfs/dbraw/zinc/59/55/65/1131595565.db2.gz NSQOYQFSMQZMNE-UHFFFAOYSA-N 0 1 292.382 3.666 20 0 CHADMN CCC(C)(C)N1CCN(C(=O)C(C)(C)C2CCCC2)CC1 ZINC001144205219 1131599322 /nfs/dbraw/zinc/59/93/22/1131599322.db2.gz LNXDVIJQVWAQCQ-UHFFFAOYSA-N 0 1 294.483 3.536 20 0 CHADMN CC(C)c1ccc(NC(=O)Nc2ncc(F)cc2O)cc1 ZINC001202915773 1131599827 /nfs/dbraw/zinc/59/98/27/1131599827.db2.gz BVFFKCJRDRVGGA-UHFFFAOYSA-N 0 1 289.310 3.694 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N(C)Cc1ccc(O)cn1 ZINC001144265564 1131607259 /nfs/dbraw/zinc/60/72/59/1131607259.db2.gz PQGJILXZQXUZDP-LLVKDONJSA-N 0 1 276.767 3.634 20 0 CHADMN CN(C)c1ccc(CN2CCC[C@H]2c2ccccc2F)cn1 ZINC001139456557 1131608913 /nfs/dbraw/zinc/60/89/13/1131608913.db2.gz HRYOYZSQDQFYOC-KRWDZBQOSA-N 0 1 299.393 3.624 20 0 CHADMN CN(C)c1ccc(CN2CCC[C@@H]2c2ccccc2F)cn1 ZINC001139456558 1131609548 /nfs/dbraw/zinc/60/95/48/1131609548.db2.gz HRYOYZSQDQFYOC-QGZVFWFLSA-N 0 1 299.393 3.624 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)C[C@H]2C)cnc1Cl ZINC001139545082 1131615638 /nfs/dbraw/zinc/61/56/38/1131615638.db2.gz QJIDVIRTUZNSKN-ZYHUDNBSSA-N 0 1 252.789 3.664 20 0 CHADMN CCc1cccc(CN2CCc3sccc3C2)c1 ZINC001144318708 1131617651 /nfs/dbraw/zinc/61/76/51/1131617651.db2.gz JEMQFFTUHRBTDM-UHFFFAOYSA-N 0 1 257.402 3.869 20 0 CHADMN CCc1cccc(C[N@H+]2CCc3c(cccc3OC)C2)c1 ZINC001144326441 1131618634 /nfs/dbraw/zinc/61/86/34/1131618634.db2.gz AAOFQBQJIRZDOW-UHFFFAOYSA-N 0 1 281.399 3.816 20 0 CHADMN CCc1cccc(CN2CCc3c(cccc3OC)C2)c1 ZINC001144326441 1131618636 /nfs/dbraw/zinc/61/86/36/1131618636.db2.gz AAOFQBQJIRZDOW-UHFFFAOYSA-N 0 1 281.399 3.816 20 0 CHADMN Cc1cnc(Cl)c(CN(C)CCc2ccc(F)cc2)c1 ZINC001139590887 1131618679 /nfs/dbraw/zinc/61/86/79/1131618679.db2.gz CRQFCOPEUBDJLA-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN CCOc1ccc(CN2CCC(C)CC2)cc1Cl ZINC001139592579 1131619449 /nfs/dbraw/zinc/61/94/49/1131619449.db2.gz AZTDIEQFXZOGJC-UHFFFAOYSA-N 0 1 267.800 3.971 20 0 CHADMN CCOc1ccc(CN2CCC[C@H]3C[C@H]32)cc1Cl ZINC001139597584 1131620904 /nfs/dbraw/zinc/62/09/04/1131620904.db2.gz DYQWJVHUOLKDDR-GXTWGEPZSA-N 0 1 265.784 3.723 20 0 CHADMN CC1CCN(Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001144378052 1131621694 /nfs/dbraw/zinc/62/16/94/1131621694.db2.gz RIHPNSPMFGRVJA-UHFFFAOYSA-N 0 1 273.298 3.643 20 0 CHADMN Oc1ccc(CN2CCC[C@H](CF)C2)c(C(F)(F)F)c1 ZINC001144386306 1131623365 /nfs/dbraw/zinc/62/33/65/1131623365.db2.gz ZMALNEFDEROYKL-SNVBAGLBSA-N 0 1 291.288 3.593 20 0 CHADMN CCCN(Cc1ccccc1)Cc1cnccc1OCC ZINC001139630925 1131624634 /nfs/dbraw/zinc/62/46/34/1131624634.db2.gz SKBNENKTWSAHMK-UHFFFAOYSA-N 0 1 284.403 3.893 20 0 CHADMN CCOc1ccc(CN2CCOC[C@H]2C(C)C)cc1CC ZINC001139624363 1131625066 /nfs/dbraw/zinc/62/50/66/1131625066.db2.gz XSSVUISNZOXDRI-KRWDZBQOSA-N 0 1 291.435 3.505 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1ccc(-c2cccnc2)cc1 ZINC001139644753 1131625939 /nfs/dbraw/zinc/62/59/39/1131625939.db2.gz QYASSODZHWMCSU-IBGZPJMESA-N 0 1 294.398 3.692 20 0 CHADMN F[C@H]1C[N@@H+](Cc2ccc(-c3cccnc3)cc2)C[C@@H]2C[C@@H]21 ZINC001139641866 1131626148 /nfs/dbraw/zinc/62/61/48/1131626148.db2.gz HZYFVRFUTWDDND-BZSNNMDCSA-N 0 1 282.362 3.538 20 0 CHADMN F[C@H]1CN(Cc2ccc(-c3cccnc3)cc2)C[C@@H]2C[C@@H]21 ZINC001139641866 1131626151 /nfs/dbraw/zinc/62/61/51/1131626151.db2.gz HZYFVRFUTWDDND-BZSNNMDCSA-N 0 1 282.362 3.538 20 0 CHADMN Cc1nc2cc(C)ccn2c1C[N@H+]1CCCC(F)(F)CC1 ZINC001139675505 1131628167 /nfs/dbraw/zinc/62/81/67/1131628167.db2.gz SZQCTCIQLUPROM-UHFFFAOYSA-N 0 1 293.361 3.572 20 0 CHADMN Cc1cccc2c1C[N@@H+](Cc1c(C)cc(O)cc1C)C2 ZINC001139711396 1131631183 /nfs/dbraw/zinc/63/11/83/1131631183.db2.gz DPWUJDHOHMIIMD-UHFFFAOYSA-N 0 1 267.372 3.833 20 0 CHADMN Cc1cccc2c1CN(Cc1c(C)cc(O)cc1C)C2 ZINC001139711396 1131631184 /nfs/dbraw/zinc/63/11/84/1131631184.db2.gz DPWUJDHOHMIIMD-UHFFFAOYSA-N 0 1 267.372 3.833 20 0 CHADMN Cc1cc([C@@H]2CCC[N@H+]2Cc2c(C)cc(O)cc2C)no1 ZINC001139711069 1131631308 /nfs/dbraw/zinc/63/13/08/1131631308.db2.gz FZPGFEQVAACAMN-KRWDZBQOSA-N 0 1 286.375 3.643 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2c(C)cc(O)cc2C)no1 ZINC001139711069 1131631310 /nfs/dbraw/zinc/63/13/10/1131631310.db2.gz FZPGFEQVAACAMN-KRWDZBQOSA-N 0 1 286.375 3.643 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc3cccnc3c2)cc1 ZINC001139742407 1131633276 /nfs/dbraw/zinc/63/32/76/1131633276.db2.gz ZPVWDEYZCLEGLN-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Cc1cnc(CN2CCC(c3cccc(O)c3)CC2)s1 ZINC001139812006 1131637540 /nfs/dbraw/zinc/63/75/40/1131637540.db2.gz AXIRDQUYHWVEEG-UHFFFAOYSA-N 0 1 288.416 3.537 20 0 CHADMN COc1ncc(CN(Cc2ccccc2)C(C)C)s1 ZINC001139814779 1131638946 /nfs/dbraw/zinc/63/89/46/1131638946.db2.gz MPJPLZUFQVVIKD-UHFFFAOYSA-N 0 1 276.405 3.562 20 0 CHADMN CCCCC1CCN(Cc2cnc(OC)c(F)c2)CC1 ZINC001144455015 1131639612 /nfs/dbraw/zinc/63/96/12/1131639612.db2.gz OEKYTOGNVFIIAE-UHFFFAOYSA-N 0 1 280.387 3.632 20 0 CHADMN CCN(Cc1cccs1)Cc1ccc(COC)s1 ZINC001139830961 1131639664 /nfs/dbraw/zinc/63/96/64/1131639664.db2.gz GMSOOJKSFWGKAG-UHFFFAOYSA-N 0 1 281.446 3.978 20 0 CHADMN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)C2)c1 ZINC001144478721 1131641829 /nfs/dbraw/zinc/64/18/29/1131641829.db2.gz MOFGSHADDDTWBA-LLVKDONJSA-N 0 1 253.773 3.581 20 0 CHADMN c1ccc2c(c1)oc1c2cccc1CN1C[C@H]2C[C@@H](C1)O2 ZINC001139858545 1131642506 /nfs/dbraw/zinc/64/25/06/1131642506.db2.gz LUNPOUXJTCFPHO-OKILXGFUSA-N 0 1 279.339 3.559 20 0 CHADMN c1ccc(C2CC2)c(CN2CCc3cccnc3C2)c1 ZINC001139883282 1131645706 /nfs/dbraw/zinc/64/57/06/1131645706.db2.gz LXPGNCKGOKHQDJ-UHFFFAOYSA-N 0 1 264.372 3.517 20 0 CHADMN Fc1ccc(CN2CCC[C@@H](F)C2)c2ccccc12 ZINC001139889897 1131647689 /nfs/dbraw/zinc/64/76/89/1131647689.db2.gz BLMLTOGWCXUPQX-CYBMUJFWSA-N 0 1 261.315 3.913 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cccnc2C(F)(F)F)CC1 ZINC001144521140 1131649072 /nfs/dbraw/zinc/64/90/72/1131649072.db2.gz QTBDTUBTBOJDJI-CYBMUJFWSA-N 0 1 290.304 3.815 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1cccnc1C(F)(F)F ZINC001144530982 1131652369 /nfs/dbraw/zinc/65/23/69/1131652369.db2.gz DDYMUCJTMPYUDQ-WDEREUQCSA-N 0 1 272.314 3.721 20 0 CHADMN F[C@H]1CCCC[N@@H+](Cc2cc3ccccc3cn2)C1 ZINC001139995767 1131654657 /nfs/dbraw/zinc/65/46/57/1131654657.db2.gz NOSBDGDTEMJGDY-HNNXBMFYSA-N 0 1 258.340 3.559 20 0 CHADMN F[C@H]1CCCCN(Cc2cc3ccccc3cn2)C1 ZINC001139995767 1131654660 /nfs/dbraw/zinc/65/46/60/1131654660.db2.gz NOSBDGDTEMJGDY-HNNXBMFYSA-N 0 1 258.340 3.559 20 0 CHADMN Clc1ncc(C[N@@H+](Cc2ccccc2)C2CCC2)cn1 ZINC001139993598 1131654935 /nfs/dbraw/zinc/65/49/35/1131654935.db2.gz SBKMUBHYIONALE-UHFFFAOYSA-N 0 1 287.794 3.685 20 0 CHADMN Clc1ncc(CN(Cc2ccccc2)C2CCC2)cn1 ZINC001139993598 1131654937 /nfs/dbraw/zinc/65/49/37/1131654937.db2.gz SBKMUBHYIONALE-UHFFFAOYSA-N 0 1 287.794 3.685 20 0 CHADMN c1ccc2cc(CN3CC4(C3)CCCC4)ncc2c1 ZINC001139994554 1131655273 /nfs/dbraw/zinc/65/52/73/1131655273.db2.gz APJPPUFHYDFRBH-UHFFFAOYSA-N 0 1 252.361 3.611 20 0 CHADMN CCCCN(CC)Cc1cc(Br)cnc1F ZINC001140002817 1131655915 /nfs/dbraw/zinc/65/59/15/1131655915.db2.gz GUSZHNYOEAFOQN-UHFFFAOYSA-N 0 1 289.192 3.605 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001140048550 1131658665 /nfs/dbraw/zinc/65/86/65/1131658665.db2.gz JWGCXVKIBWVKHW-HNNXBMFYSA-N 0 1 285.362 3.596 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001140051781 1131658671 /nfs/dbraw/zinc/65/86/71/1131658671.db2.gz SOSIWBNPPJMBES-CYBMUJFWSA-N 0 1 289.325 3.660 20 0 CHADMN Oc1ccc(F)c(CN2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001140051781 1131658673 /nfs/dbraw/zinc/65/86/73/1131658673.db2.gz SOSIWBNPPJMBES-CYBMUJFWSA-N 0 1 289.325 3.660 20 0 CHADMN COc1ccc2n[nH]c(C[N@H+]3CC[C@H]4CCCC[C@H]4C3)c2c1 ZINC001140069110 1131661478 /nfs/dbraw/zinc/66/14/78/1131661478.db2.gz JSGHRIMOAOSAEF-KGLIPLIRSA-N 0 1 299.418 3.584 20 0 CHADMN CN(CCc1ccccc1F)Cc1ccc(O)cc1Cl ZINC001140087472 1131662737 /nfs/dbraw/zinc/66/27/37/1131662737.db2.gz PQBAABYFLSCBIO-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN CC(=CC(=O)Nc1ccc(Nc2ccncc2)cc1)C1CC1 ZINC001144589780 1131663510 /nfs/dbraw/zinc/66/35/10/1131663510.db2.gz TXQMQCJAIVPNET-OUKQBFOZSA-N 0 1 293.370 3.542 20 0 CHADMN Fc1ccc(-c2ncc(CN3CC4(CCC4)C3)s2)cc1 ZINC001140094547 1131664103 /nfs/dbraw/zinc/66/41/03/1131664103.db2.gz YFAXKLHCFWDZDK-UHFFFAOYSA-N 0 1 288.391 3.935 20 0 CHADMN CCN(Cc1ccccc1)Cc1ccc(O)cc1F ZINC001140125057 1131665698 /nfs/dbraw/zinc/66/56/98/1131665698.db2.gz NHZCTMKBZWXSSM-UHFFFAOYSA-N 0 1 259.324 3.553 20 0 CHADMN Fc1cccc(CN(Cc2ccccn2)C2CCCCC2)n1 ZINC001140134218 1131667018 /nfs/dbraw/zinc/66/70/18/1131667018.db2.gz MNDJGRDZIODHMW-UHFFFAOYSA-N 0 1 299.393 3.951 20 0 CHADMN C[C@]1(F)CC[N@@H+](Cc2cccc3cnccc32)C[C@H]1F ZINC001140143155 1131667395 /nfs/dbraw/zinc/66/73/95/1131667395.db2.gz TYRXEUJJZXKKMC-CVEARBPZSA-N 0 1 276.330 3.507 20 0 CHADMN C[C@]1(F)CCN(Cc2cccc3cnccc32)C[C@H]1F ZINC001140143155 1131667399 /nfs/dbraw/zinc/66/73/99/1131667399.db2.gz TYRXEUJJZXKKMC-CVEARBPZSA-N 0 1 276.330 3.507 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1ncn2ccccc12 ZINC001144625469 1131668312 /nfs/dbraw/zinc/66/83/12/1131668312.db2.gz NAQZUDXUCBSPGU-SFHVURJKSA-N 0 1 291.398 3.844 20 0 CHADMN c1nc(CN2CCC[C@H]2c2ccccc2)c2ccccn12 ZINC001144623417 1131669297 /nfs/dbraw/zinc/66/92/97/1131669297.db2.gz VPAAGKRIFNDSBF-KRWDZBQOSA-N 0 1 277.371 3.671 20 0 CHADMN F[C@@H]1CN(Cc2ccc(-c3ccncc3)cc2)C[C@@H]2C[C@@H]21 ZINC001140168538 1131671401 /nfs/dbraw/zinc/67/14/01/1131671401.db2.gz GGPVANNBQMTVHU-OKZBNKHCSA-N 0 1 282.362 3.538 20 0 CHADMN CCc1cccc(CNCc2nc3cc(F)ccc3n2C)c1 ZINC000845940266 1131672645 /nfs/dbraw/zinc/67/26/45/1131672645.db2.gz VVLHOBJOMHAMGJ-UHFFFAOYSA-N 0 1 297.377 3.565 20 0 CHADMN CCOc1ccc2[nH]cc(CN(C)Cc3ccccn3)c2c1 ZINC001140266874 1131685617 /nfs/dbraw/zinc/68/56/17/1131685617.db2.gz PYXLULWMMVMDOU-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN O=C1CCN(Cc2cccc3cc[nH]c32)[C@H]2CCCC[C@@H]12 ZINC001144705496 1131685759 /nfs/dbraw/zinc/68/57/59/1131685759.db2.gz NADHKNAEGKDFOW-CVEARBPZSA-N 0 1 282.387 3.502 20 0 CHADMN C/C(=C/C(=O)Nc1cc(Cl)c(O)cc1F)c1ccco1 ZINC001140285433 1131687407 /nfs/dbraw/zinc/68/74/07/1131687407.db2.gz PZCMLNKXAPUGAO-YVMONPNESA-N 0 1 295.697 3.820 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1ccc3c(c1)CCC3)C2 ZINC001203019552 1131687443 /nfs/dbraw/zinc/68/74/43/1131687443.db2.gz ZKKFWUSCIKAXRB-UHFFFAOYSA-N 0 1 293.410 3.742 20 0 CHADMN CC(C)[N@@H+](Cc1ccncc1[O-])[C@@H](C)c1ccccc1 ZINC001140281413 1131687834 /nfs/dbraw/zinc/68/78/34/1131687834.db2.gz BJUJTKNRQLORMG-AWEZNQCLSA-N 0 1 270.376 3.759 20 0 CHADMN CC[C@H]1CCCN1Cc1cc(F)c(F)cc1Cl ZINC001144726516 1131692417 /nfs/dbraw/zinc/69/24/17/1131692417.db2.gz MTLLZJZLYNYMBI-JTQLQIEISA-N 0 1 259.727 3.993 20 0 CHADMN CC(C)c1cnc(CNc2ccc3cnccc3c2)o1 ZINC000834685384 1131693372 /nfs/dbraw/zinc/69/33/72/1131693372.db2.gz SBGCEWPAGKNFLY-UHFFFAOYSA-N 0 1 267.332 3.958 20 0 CHADMN F[C@H]1CN(Cc2ccccc2-c2cccnc2)C[C@@H]2C[C@@H]21 ZINC001140315518 1131695245 /nfs/dbraw/zinc/69/52/45/1131695245.db2.gz KTARMQHDSYPGSB-SZMVWBNQSA-N 0 1 282.362 3.538 20 0 CHADMN Cc1ccc2n[nH]c(CN3Cc4ccc(F)cc4C3)c2c1 ZINC001140330236 1131698805 /nfs/dbraw/zinc/69/88/05/1131698805.db2.gz RBKIRIISTZTXJS-UHFFFAOYSA-N 0 1 281.334 3.526 20 0 CHADMN COc1c(F)ccc(F)c1CN1[C@H](C)CCC[C@H]1C ZINC001144744770 1131699355 /nfs/dbraw/zinc/69/93/55/1131699355.db2.gz DTZIIXQJIYLJGC-GHMZBOCLSA-N 0 1 269.335 3.736 20 0 CHADMN CCCCC[N@@H+](C/C=C(/C)C(=O)[O-])Cc1ccc(F)cc1 ZINC000846233055 1131701838 /nfs/dbraw/zinc/70/18/38/1131701838.db2.gz WNQABHGIFSHYGK-UVTDQMKNSA-N 0 1 293.382 3.849 20 0 CHADMN CCc1ccc([C@@H]2CCCCC[N@H+]2C/C=C(\C)C(=O)[O-])o1 ZINC000846249330 1131704451 /nfs/dbraw/zinc/70/44/51/1131704451.db2.gz MVPSPZXIOMCGCS-VOMSXAGXSA-N 0 1 291.391 3.790 20 0 CHADMN Cc1[nH]ncc1C(=O)N(CC(C)C)c1ccc(C)cc1C ZINC000846298929 1131706573 /nfs/dbraw/zinc/70/65/73/1131706573.db2.gz KPBCNJRXCGPNQV-UHFFFAOYSA-N 0 1 285.391 3.638 20 0 CHADMN CC[C@@H]1CCC[N@H+]1Cc1sc(N2CCCC2)nc1Cl ZINC001140365443 1131706776 /nfs/dbraw/zinc/70/67/76/1131706776.db2.gz ZCANBHAVTJKTMK-LLVKDONJSA-N 0 1 299.871 3.771 20 0 CHADMN CC[C@@H]1CCCN1Cc1sc(N2CCCC2)nc1Cl ZINC001140365443 1131706780 /nfs/dbraw/zinc/70/67/80/1131706780.db2.gz ZCANBHAVTJKTMK-LLVKDONJSA-N 0 1 299.871 3.771 20 0 CHADMN CCc1nc(CN[C@@H]2C[C@@H](c3ccccc3)C2(C)C)co1 ZINC000834897776 1131722028 /nfs/dbraw/zinc/72/20/28/1131722028.db2.gz IFWJXMFSCLHVAE-JKSUJKDBSA-N 0 1 284.403 3.909 20 0 CHADMN CCCC1CCC(Oc2nc(=O)[nH]c3c2CO[C@H]3C)CC1 ZINC001227709151 1131727750 /nfs/dbraw/zinc/72/77/50/1131727750.db2.gz BEQJPTUYSGJWNH-UNXYVOJBSA-N 0 1 292.379 3.511 20 0 CHADMN CC[C@@H](Oc1nc(=O)[nH]c2c1CO[C@H]2C)C1CCCCC1 ZINC001227716043 1131728665 /nfs/dbraw/zinc/72/86/65/1131728665.db2.gz JEZVMYHZRSYUOO-GXFFZTMASA-N 0 1 292.379 3.511 20 0 CHADMN Cc1noc(C)c1CN(C)CCCc1c(F)cccc1F ZINC000846770184 1131737015 /nfs/dbraw/zinc/73/70/15/1131737015.db2.gz SQXWWQMCBLXNNN-UHFFFAOYSA-N 0 1 294.345 3.634 20 0 CHADMN CC(=O)c1ccc2cc(OC3CN(C(C)(C)C)C3)ccc2c1 ZINC001227761946 1131738753 /nfs/dbraw/zinc/73/87/53/1131738753.db2.gz UHJKHYQYNIAWJR-UHFFFAOYSA-N 0 1 297.398 3.904 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN[C@H]1CCS[C@H]1C ZINC001203040088 1131756690 /nfs/dbraw/zinc/75/66/90/1131756690.db2.gz YSMLJECXKOIPNS-QWRGUYRKSA-N 0 1 294.445 3.695 20 0 CHADMN CC1(C)CC[C@H]1NCc1nc(-c2cccc(Cl)c2)no1 ZINC000846963188 1131766014 /nfs/dbraw/zinc/76/60/14/1131766014.db2.gz UGUJRSIZPXZGSI-GFCCVEGCSA-N 0 1 291.782 3.668 20 0 CHADMN CN1CC[C@@H](Oc2cc(Cl)cc(Cl)c2Cl)C1 ZINC001228109633 1131811189 /nfs/dbraw/zinc/81/11/89/1131811189.db2.gz RBTGMCINCNCPIG-MRVPVSSYSA-N 0 1 280.582 3.730 20 0 CHADMN Fc1cccc(CN2CCC23CCCC3)c1Cl ZINC001140559904 1131793753 /nfs/dbraw/zinc/79/37/53/1131793753.db2.gz CASOOKUNNXDLON-UHFFFAOYSA-N 0 1 253.748 3.998 20 0 CHADMN Cc1ccc(Br)c(O[C@@H]2CCN(C(C)C)C2)c1 ZINC001228051669 1131798019 /nfs/dbraw/zinc/79/80/19/1131798019.db2.gz CPTJJTHQADUAAR-GFCCVEGCSA-N 0 1 298.224 3.619 20 0 CHADMN Cc1cccc(C(=O)Nc2c(Cl)ccc(O)c2Cl)n1 ZINC001147215233 1131815596 /nfs/dbraw/zinc/81/55/96/1131815596.db2.gz PWGBENAPNQOKMM-UHFFFAOYSA-N 0 1 297.141 3.655 20 0 CHADMN Cc1cccc(CCN(C)Cc2cc(Cl)ncc2F)c1 ZINC001140611177 1131826735 /nfs/dbraw/zinc/82/67/35/1131826735.db2.gz ZYLHSRLQDMGEOH-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN CC[N@H+]1CC[C@H](Oc2ccc3ccccc3c2Cl)C1 ZINC001228252661 1131839610 /nfs/dbraw/zinc/83/96/10/1131839610.db2.gz XZWGGIBDPHKKDL-ZDUSSCGKSA-N 0 1 275.779 3.966 20 0 CHADMN CC(C)C[C@H]1CCCCN1Cc1cnc(Cl)cn1 ZINC000799141494 1131850621 /nfs/dbraw/zinc/85/06/21/1131850621.db2.gz XTIJHNMPGXFPJZ-CYBMUJFWSA-N 0 1 267.804 3.531 20 0 CHADMN CC(=O)n1cc(CN(C)Cc2ccsc2)c2ccccc21 ZINC001204409518 1131854938 /nfs/dbraw/zinc/85/49/38/1131854938.db2.gz BPUFXOZXTSGGJA-UHFFFAOYSA-N 0 1 298.411 3.995 20 0 CHADMN Cc1nc2ccc(O[C@H]3CCc4c3nccc4Cl)cc2[nH]1 ZINC001228326112 1131858187 /nfs/dbraw/zinc/85/81/87/1131858187.db2.gz FPZSSNIFEPIHFP-HNNXBMFYSA-N 0 1 299.761 3.986 20 0 CHADMN Cc1nc2ccc(O[C@@H](C)COc3ccccc3)cc2[nH]1 ZINC001228328073 1131858316 /nfs/dbraw/zinc/85/83/16/1131858316.db2.gz ZVYPOZLZSREXDD-LBPRGKRZSA-N 0 1 282.343 3.718 20 0 CHADMN CC[C@H](C)CN(CC)C(=O)[C@H](c1ccccc1)N(C)CC ZINC001148850549 1131872846 /nfs/dbraw/zinc/87/28/46/1131872846.db2.gz GOZCAQZCXJLVQT-RDJZCZTQSA-N 0 1 290.451 3.574 20 0 CHADMN O=C(CCCC1CCOCC1)Nc1cccc(Cl)c1O ZINC000282722149 1131883800 /nfs/dbraw/zinc/88/38/00/1131883800.db2.gz LSWRQNOXYCCCQX-UHFFFAOYSA-N 0 1 297.782 3.581 20 0 CHADMN CC[C@@H](Oc1[nH]c(=O)ncc1Cl)c1ccccc1F ZINC001228482373 1131893375 /nfs/dbraw/zinc/89/33/75/1131893375.db2.gz MAOFFWJMPFUZFC-LLVKDONJSA-N 0 1 282.702 3.505 20 0 CHADMN F[C@H]1CN(Cc2c(Cl)ncc3ccccc32)C[C@@H]2C[C@@H]21 ZINC001140721427 1131894067 /nfs/dbraw/zinc/89/40/67/1131894067.db2.gz OGMYFOAMHUSTAC-WHOFXGATSA-N 0 1 290.769 3.678 20 0 CHADMN COc1cccc(Cl)c1CN1CC[C@]2(CC2(F)F)C1 ZINC001140728863 1131898937 /nfs/dbraw/zinc/89/89/37/1131898937.db2.gz VKKLBJPFGJHYCR-ZDUSSCGKSA-N 0 1 287.737 3.580 20 0 CHADMN COc1cccc(Cl)c1CN1CCCCC12CC2 ZINC001140728899 1131899741 /nfs/dbraw/zinc/89/97/41/1131899741.db2.gz XJZNFJWSGQDXNO-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN CCC[C@@H](Oc1nc(Cl)nc2nc[nH]c21)C(C)(C)C ZINC001228509233 1131899807 /nfs/dbraw/zinc/89/98/07/1131899807.db2.gz LNMNACQARGLXMZ-MRVPVSSYSA-N 0 1 282.775 3.600 20 0 CHADMN Cc1cc(F)ccc1CN(Cc1ccco1)C1CC1 ZINC001140780464 1131913879 /nfs/dbraw/zinc/91/38/79/1131913879.db2.gz BEXVZCBMYGAJKY-UHFFFAOYSA-N 0 1 259.324 3.892 20 0 CHADMN C[C@H](N[C@@H](C)[C@H](O)c1c(F)cccc1Cl)c1ccco1 ZINC000773042236 1131926597 /nfs/dbraw/zinc/92/65/97/1131926597.db2.gz MIVDJKHSKRLQBA-YHAQOWFVSA-N 0 1 297.757 3.845 20 0 CHADMN CC(C)[C@@H](Oc1ccc2[nH]nnc2c1)c1ccccc1 ZINC001228663326 1131929679 /nfs/dbraw/zinc/92/96/79/1131929679.db2.gz AHYLBAXVOJWGMN-MRXNPFEDSA-N 0 1 267.332 3.734 20 0 CHADMN Cc1ccc([C@H](C)Oc2ccc3[nH]nnc3c2)c(C)c1 ZINC001228667630 1131931679 /nfs/dbraw/zinc/93/16/79/1131931679.db2.gz OBFVWWYVSQHNMA-LBPRGKRZSA-N 0 1 267.332 3.715 20 0 CHADMN COc1cc(F)c(CN2CCCC[C@H](C)C2)c(F)c1 ZINC001140824774 1131936952 /nfs/dbraw/zinc/93/69/52/1131936952.db2.gz IOYWHDSCWHBZLX-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CC[C@@H]1CCCCN1Cc1c(F)cc(OC)cc1F ZINC001140827514 1131938795 /nfs/dbraw/zinc/93/87/95/1131938795.db2.gz CTFRDVYJBGQPRX-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN CC(C)C[N@@H+](C)Cc1cc(Cl)c([O-])c(Cl)c1 ZINC001140830330 1131938942 /nfs/dbraw/zinc/93/89/42/1131938942.db2.gz UPYBQMDECKSTLK-UHFFFAOYSA-N 0 1 262.180 3.787 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2cccc(F)n2)c1 ZINC000773090339 1131945111 /nfs/dbraw/zinc/94/51/11/1131945111.db2.gz SSSZTXRHHSBVNO-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN Nc1cccc(F)c1CN1CCC[C@H]1c1cccc(F)c1 ZINC001140874974 1131954369 /nfs/dbraw/zinc/95/43/69/1131954369.db2.gz PZQOMDCTUHPYNR-KRWDZBQOSA-N 0 1 288.341 3.884 20 0 CHADMN Nc1cccc(F)c1CN(Cc1ccccc1)C1CCC1 ZINC001140876896 1131955893 /nfs/dbraw/zinc/95/58/93/1131955893.db2.gz PXQNMKLDEBQVOP-UHFFFAOYSA-N 0 1 284.378 3.963 20 0 CHADMN CC(C)C[C@@H](NCc1cnn(C)c1Cl)c1ccccc1 ZINC000712485985 1131957180 /nfs/dbraw/zinc/95/71/80/1131957180.db2.gz BRZOADWHGHXHNB-OAHLLOKOSA-N 0 1 291.826 3.951 20 0 CHADMN C[C@H]1C[N@H+](Cc2ccc([O-])c(F)c2F)CCC[C@@H]1C ZINC001140889653 1131958519 /nfs/dbraw/zinc/95/85/19/1131958519.db2.gz JCCDPZDDLSBCIQ-QWRGUYRKSA-N 0 1 269.335 3.538 20 0 CHADMN CCCC[C@H](NC)c1nc(-c2cc(F)ccc2Cl)no1 ZINC001247627562 1131964678 /nfs/dbraw/zinc/96/46/78/1131964678.db2.gz BDBZYZVEHLYYRU-LBPRGKRZSA-N 0 1 297.761 3.980 20 0 CHADMN FC(F)(F)c1ccncc1CN1CCCC2(CCC2)C1 ZINC001140923339 1131965380 /nfs/dbraw/zinc/96/53/80/1131965380.db2.gz WZUDASNYTBVDKA-UHFFFAOYSA-N 0 1 284.325 3.867 20 0 CHADMN CCC(CC)[N@@H+](CC)Cc1cc(F)c([O-])c(F)c1 ZINC001140990510 1131978434 /nfs/dbraw/zinc/97/84/34/1131978434.db2.gz DDCAUOVKOGDAHD-UHFFFAOYSA-N 0 1 257.324 3.681 20 0 CHADMN CC(C)(C)C1CCN(Cc2c[nH]nc2C(F)(F)F)CC1 ZINC001141012099 1131985591 /nfs/dbraw/zinc/98/55/91/1131985591.db2.gz SSCCPYMILJMSSY-UHFFFAOYSA-N 0 1 289.345 3.687 20 0 CHADMN CCC[C@H]1CCCC[C@@H]1Oc1nnc2c[nH]ccc1-2 ZINC001228989104 1131994145 /nfs/dbraw/zinc/99/41/45/1131994145.db2.gz DVXSHCPACZBSHQ-FZMZJTMJSA-N 0 1 259.353 3.696 20 0 CHADMN CC(C)Oc1cccc(CN[C@@H](C)c2ccns2)c1 ZINC000715922338 1131995878 /nfs/dbraw/zinc/99/58/78/1131995878.db2.gz RZSALKPBEANKRP-LBPRGKRZSA-N 0 1 276.405 3.781 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2ccns2)cc1C ZINC000715956888 1131997242 /nfs/dbraw/zinc/99/72/42/1131997242.db2.gz XUBQZKHQBBWSKS-ZDUSSCGKSA-N 0 1 260.406 3.919 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccns1)CC2 ZINC000715951608 1131997664 /nfs/dbraw/zinc/99/76/64/1131997664.db2.gz FCQDZFXPEKQURF-RISCZKNCSA-N 0 1 258.390 3.790 20 0 CHADMN COc1cc([C@H](C)N[C@@H](C)c2ccns2)ccc1F ZINC000715934488 1131999141 /nfs/dbraw/zinc/99/91/41/1131999141.db2.gz XXORLCVIFSJBEV-UWVGGRQHSA-N 0 1 280.368 3.703 20 0 CHADMN COc1cccc([C@H](C)N[C@H](C)c2ccns2)c1 ZINC000715963453 1132000559 /nfs/dbraw/zinc/00/05/59/1132000559.db2.gz BEMKHXNGVRWMNA-WDEREUQCSA-N 0 1 262.378 3.564 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccns2)cc1OC ZINC000716055154 1132003441 /nfs/dbraw/zinc/00/34/41/1132003441.db2.gz OCUDDTWMBMOKGM-GHMZBOCLSA-N 0 1 292.404 3.572 20 0 CHADMN Cc1ccc2cc(CN[C@H](C)c3ccns3)ccc2n1 ZINC000715990176 1132006566 /nfs/dbraw/zinc/00/65/66/1132006566.db2.gz INRPJSRRXQGVGM-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN CC(C)(C)c1cccc(CN2CCOC[C@@H]2C2CC2)c1 ZINC001141106274 1132019496 /nfs/dbraw/zinc/01/94/96/1132019496.db2.gz VTNHPVUBPDRRNP-QGZVFWFLSA-N 0 1 273.420 3.595 20 0 CHADMN COc1ccc2nccc(CN(C)Cc3ccsc3)c2c1 ZINC001141150604 1132029015 /nfs/dbraw/zinc/02/90/15/1132029015.db2.gz HHWXVMZCFLHBOZ-UHFFFAOYSA-N 0 1 298.411 3.937 20 0 CHADMN COc1ccc2cc(CN(C)C(C)C)c(Cl)nc2c1 ZINC000037496022 1132030943 /nfs/dbraw/zinc/03/09/43/1132030943.db2.gz PRIDMGCJLOZWPY-UHFFFAOYSA-N 0 1 278.783 3.737 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@](CF)(C(F)(F)F)C2)c(F)c1 ZINC001141191827 1132039798 /nfs/dbraw/zinc/03/97/98/1132039798.db2.gz VLVSJMSVILVNMF-CYBMUJFWSA-N 0 1 293.279 3.858 20 0 CHADMN Cc1ccc(CN2CC[C@](CF)(C(F)(F)F)C2)c(F)c1 ZINC001141191827 1132039804 /nfs/dbraw/zinc/03/98/04/1132039804.db2.gz VLVSJMSVILVNMF-CYBMUJFWSA-N 0 1 293.279 3.858 20 0 CHADMN Fc1cc2c(cc1F)C[C@H](N1CCCC[C@@H](F)C1)CC2 ZINC001171477770 1132044246 /nfs/dbraw/zinc/04/42/46/1132044246.db2.gz UYPIKIFJZKYFHU-ZIAGYGMSSA-N 0 1 283.337 3.646 20 0 CHADMN CC[C@@H](C)CN1CCO[C@@H](c2cccc(F)c2)[C@@H]1C ZINC001171480013 1132044846 /nfs/dbraw/zinc/04/48/46/1132044846.db2.gz NAIFEFKMNJPHRR-DVOMOZLQSA-N 0 1 265.372 3.634 20 0 CHADMN CC1(C)CCCC[C@H]1CC(=O)Nc1cccc2[nH]nnc21 ZINC001141215572 1132045950 /nfs/dbraw/zinc/04/59/50/1132045950.db2.gz NEUDMBRLHHWWMC-NSHDSACASA-N 0 1 286.379 3.503 20 0 CHADMN Fc1cc2c(c(F)c1F)C[C@H](N1CC3(C1)CCCC3)CC2 ZINC001171534728 1132046361 /nfs/dbraw/zinc/04/63/61/1132046361.db2.gz YASLUWTXFQPXIY-GFCCVEGCSA-N 0 1 295.348 3.837 20 0 CHADMN CCc1ccccc1CN1CCCC(F)(F)[C@H](F)C1 ZINC001141224225 1132047007 /nfs/dbraw/zinc/04/70/07/1132047007.db2.gz KEOQSTLEBSTBSG-CQSZACIVSA-N 0 1 271.326 3.818 20 0 CHADMN Cc1cc(Cl)ccc1CN1CC(c2cccnc2)C1 ZINC001141232576 1132053791 /nfs/dbraw/zinc/05/37/91/1132053791.db2.gz JCHZEEDUZFYWLR-UHFFFAOYSA-N 0 1 272.779 3.643 20 0 CHADMN CCc1coc(CN[C@@H](C)CCc2ccc(C)cc2)n1 ZINC001171655663 1132069729 /nfs/dbraw/zinc/06/97/29/1132069729.db2.gz LLBWFMVWBNNEMW-AWEZNQCLSA-N 0 1 272.392 3.656 20 0 CHADMN Cc1ccc(CC[C@@H](C)N2Cc3cccnc3C2)cc1 ZINC001171666109 1132071762 /nfs/dbraw/zinc/07/17/62/1132071762.db2.gz SXIJRRVZBFSDLV-OAHLLOKOSA-N 0 1 266.388 3.727 20 0 CHADMN Cc1ccc(CC[C@H](C)N2Cc3cccnc3C2)cc1 ZINC001171666108 1132072648 /nfs/dbraw/zinc/07/26/48/1132072648.db2.gz SXIJRRVZBFSDLV-HNNXBMFYSA-N 0 1 266.388 3.727 20 0 CHADMN O=C(CN1C[C@H]2CCCC[C@H]21)Nc1cccc2ccccc21 ZINC001171757179 1132091266 /nfs/dbraw/zinc/09/12/66/1132091266.db2.gz ZBIVICXACXFMOG-CRAIPNDOSA-N 0 1 294.398 3.653 20 0 CHADMN CC(C)(C)N1CC(Oc2ccnc3c(Cl)cccc23)C1 ZINC001229603044 1132094177 /nfs/dbraw/zinc/09/41/77/1132094177.db2.gz OGGYVZNDMMVUIB-UHFFFAOYSA-N 0 1 290.794 3.750 20 0 CHADMN CCCCCc1cc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)n[nH]1 ZINC001141344328 1132095419 /nfs/dbraw/zinc/09/54/19/1132095419.db2.gz VHUYVAXRVUBGGU-UKRRQHHQSA-N 0 1 291.439 3.793 20 0 CHADMN CC[C@@H]1CO[C@@H](CC)CN1Cc1cc2ccccc2o1 ZINC001171778115 1132096265 /nfs/dbraw/zinc/09/62/65/1132096265.db2.gz IQLSDVQNWUSPSH-CABCVRRESA-N 0 1 273.376 3.822 20 0 CHADMN C[C@@H]1CN(CCO[C@@H]2CCCC[C@H]2C)CC2(CCCC2)O1 ZINC001171735934 1132096926 /nfs/dbraw/zinc/09/69/26/1132096926.db2.gz ZCOFXLCNKARPQM-BRWVUGGUSA-N 0 1 295.467 3.615 20 0 CHADMN Fc1cccc2c1C[C@@H](N1CCC[C@H]1c1nccs1)C2 ZINC001171806983 1132103605 /nfs/dbraw/zinc/10/36/05/1132103605.db2.gz MUMVDXPISFHBBE-WFASDCNBSA-N 0 1 288.391 3.587 20 0 CHADMN Cc1ncsc1CCCN1CC[C@H]1c1ccc(F)cc1 ZINC001171846816 1132107034 /nfs/dbraw/zinc/10/70/34/1132107034.db2.gz FNDFCIUYMFKJGU-HNNXBMFYSA-N 0 1 290.407 3.970 20 0 CHADMN C[C@H](C(=O)Nc1ccccc1)N1CCC(C2CCC2)CC1 ZINC001171842124 1132107306 /nfs/dbraw/zinc/10/73/06/1132107306.db2.gz ZALPJDLGBXOEDU-CQSZACIVSA-N 0 1 286.419 3.526 20 0 CHADMN COc1ccc(Nc2ccc3[nH]c(C)nc3c2)c(Cl)n1 ZINC001213071415 1132115382 /nfs/dbraw/zinc/11/53/82/1132115382.db2.gz RCCJORKUHDIIOP-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN COc1ccc(Nc2ccc3nc(C)[nH]c3c2)c(Cl)n1 ZINC001213071415 1132115383 /nfs/dbraw/zinc/11/53/83/1132115383.db2.gz RCCJORKUHDIIOP-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN CCN1CC[C@H](Oc2cc(C)c(C)cc2Br)C1 ZINC001229799022 1132119020 /nfs/dbraw/zinc/11/90/20/1132119020.db2.gz GQKUOYVQERTTAP-LBPRGKRZSA-N 0 1 298.224 3.539 20 0 CHADMN C[C@H]1CCC[C@@H](Oc2ccc(F)cc2CN(C)C)C1 ZINC001229855153 1132125984 /nfs/dbraw/zinc/12/59/84/1132125984.db2.gz UGHXDXTYVBLZMO-SWLSCSKDSA-N 0 1 265.372 3.845 20 0 CHADMN CC(=O)c1cc(Nc2ccc3[nH]c(C)nc3c2)cnc1C ZINC001213073751 1132140042 /nfs/dbraw/zinc/14/00/42/1132140042.db2.gz VXWINFIJXKRFDA-UHFFFAOYSA-N 0 1 280.331 3.521 20 0 CHADMN Cc1ccc2cc(CN(C)Cc3cccnc3C)ccc2n1 ZINC001141484931 1132141755 /nfs/dbraw/zinc/14/17/55/1132141755.db2.gz GIZFFILMPDXJGP-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN O=c1[nH]cnc(O[C@@H]2CCc3ccc(Cl)cc32)c1Cl ZINC001230018134 1132145835 /nfs/dbraw/zinc/14/58/35/1132145835.db2.gz NWQZXFPNNOXYIH-SNVBAGLBSA-N 0 1 297.141 3.555 20 0 CHADMN CN(Cc1c(Cl)cccc1Cl)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172241762 1132150908 /nfs/dbraw/zinc/15/09/08/1132150908.db2.gz HVKOOEWMCVOEGP-YOGCLGLASA-N 0 1 298.213 3.911 20 0 CHADMN Nc1nc2ccccc2n1-c1ccc(C2CCOCC2)cc1 ZINC001212650391 1132157689 /nfs/dbraw/zinc/15/76/89/1132157689.db2.gz FITGVPUSUAXFLR-UHFFFAOYSA-N 0 1 293.370 3.502 20 0 CHADMN CC[N@H+]1CCC[C@@H](Oc2c(Cl)ccc(C)c2C)C1 ZINC001230180733 1132158010 /nfs/dbraw/zinc/15/80/10/1132158010.db2.gz UENSRWFIIIAYDV-CYBMUJFWSA-N 0 1 267.800 3.820 20 0 CHADMN CCN1CCC[C@@H](Oc2c(Cl)ccc(C)c2C)C1 ZINC001230180733 1132158015 /nfs/dbraw/zinc/15/80/15/1132158015.db2.gz UENSRWFIIIAYDV-CYBMUJFWSA-N 0 1 267.800 3.820 20 0 CHADMN CCCCCCc1c(O)cccc1O[C@H]1CC[N@@H+](C)C1 ZINC001230180340 1132158129 /nfs/dbraw/zinc/15/81/29/1132158129.db2.gz HOCRSFLWHJOVQN-AWEZNQCLSA-N 0 1 277.408 3.598 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)N[C@H]1CCCCC1(F)F ZINC001172325825 1132160572 /nfs/dbraw/zinc/16/05/72/1132160572.db2.gz XRYILTLVBSJJKH-AGIUHOORSA-N 0 1 263.372 3.748 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)NCc1c(F)cc(F)cc1F ZINC001172323630 1132161098 /nfs/dbraw/zinc/16/10/98/1132161098.db2.gz COSVGDSCSKPKJB-MNOVXSKESA-N 0 1 289.341 3.787 20 0 CHADMN Cc1ccc([C@@H](O)CNCc2c(F)cc(C)cc2Cl)o1 ZINC000838967756 1132162665 /nfs/dbraw/zinc/16/26/65/1132162665.db2.gz YVWBGFJTVWQKKE-AWEZNQCLSA-N 0 1 297.757 3.512 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@@H]1COCc2ccccc21 ZINC001230225388 1132163131 /nfs/dbraw/zinc/16/31/31/1132163131.db2.gz RWDYUWWCZPXKPD-QGZVFWFLSA-N 0 1 280.327 3.522 20 0 CHADMN CC1(C)C[C@H](N2CCC[C@@H]2c2c(F)cccc2F)CO1 ZINC001172293045 1132165862 /nfs/dbraw/zinc/16/58/62/1132165862.db2.gz PFZMYNPVWNENAC-SMDDNHRTSA-N 0 1 281.346 3.669 20 0 CHADMN Cc1ccc(CN2CCC[C@H](C3CC3)C2)c(Cl)n1 ZINC000839015666 1132167474 /nfs/dbraw/zinc/16/74/74/1132167474.db2.gz OCNIWUZMOQIAKZ-ZDUSSCGKSA-N 0 1 264.800 3.665 20 0 CHADMN C[C@@H]1CC[C@@H](N2CCc3nc(Cl)ccc3C2)C[C@H]1C ZINC001172374422 1132168832 /nfs/dbraw/zinc/16/88/32/1132168832.db2.gz QKXKRHYCOPTWNC-YRGRVCCFSA-N 0 1 278.827 3.918 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1c[nH]c2cc(Cl)ccc12 ZINC001141591204 1132193929 /nfs/dbraw/zinc/19/39/29/1132193929.db2.gz UFEOHDSJHAXHBK-MRXNPFEDSA-N 0 1 290.794 3.765 20 0 CHADMN Cc1cc2cc(NC(=O)C(C)(C)N3CCCCC3)ccc2[nH]1 ZINC001141597037 1132198184 /nfs/dbraw/zinc/19/81/84/1132198184.db2.gz GLYKDQUXCWAHRI-UHFFFAOYSA-N 0 1 299.418 3.679 20 0 CHADMN CCOCC[C@H](C)N(C)Cc1nc2ccccc2s1 ZINC001172417478 1132202406 /nfs/dbraw/zinc/20/24/06/1132202406.db2.gz OOWRIXGRNDCBMR-LBPRGKRZSA-N 0 1 278.421 3.543 20 0 CHADMN CCCCCC[C@@H](CCC)N1CC[N@H+]2CC[C@H]1C2 ZINC001172387307 1132213682 /nfs/dbraw/zinc/21/36/82/1132213682.db2.gz PYDVECAOUDGJEE-CVEARBPZSA-N 0 1 252.446 3.515 20 0 CHADMN Cc1ccccc1[C@@H](C)Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230885383 1132224271 /nfs/dbraw/zinc/22/42/71/1132224271.db2.gz WZFPUCYIDOUIEC-LLVKDONJSA-N 0 1 298.317 3.923 20 0 CHADMN CCCC[C@H](Oc1nncc2n[nH]cc21)c1ccccc1 ZINC001230900476 1132225096 /nfs/dbraw/zinc/22/50/96/1132225096.db2.gz ISKIIVXIXBRGSE-HNNXBMFYSA-N 0 1 282.347 3.663 20 0 CHADMN CCN(Cc1occc1C)C[C@@H]1CC1(Cl)Cl ZINC000839662424 1132229682 /nfs/dbraw/zinc/22/96/82/1132229682.db2.gz ZACGXCFUPGUWGZ-JTQLQIEISA-N 0 1 262.180 3.604 20 0 CHADMN CC[C@H]1COCCN1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001141740407 1132244743 /nfs/dbraw/zinc/24/47/43/1132244743.db2.gz ZZQMIKKDHUKXGM-SFHVURJKSA-N 0 1 293.410 3.869 20 0 CHADMN CCC(CC)N(C)Cc1nc(C(F)(F)F)cs1 ZINC001141764198 1132247462 /nfs/dbraw/zinc/24/74/62/1132247462.db2.gz YZZCENCECIRDAS-UHFFFAOYSA-N 0 1 266.332 3.782 20 0 CHADMN CCCCc1ccc(-c2noc(-c3[nH]cnc3C)n2)cc1 ZINC001212668500 1132263750 /nfs/dbraw/zinc/26/37/50/1132263750.db2.gz BAPOLPBENNBVMR-UHFFFAOYSA-N 0 1 282.347 3.778 20 0 CHADMN c1cc2n(c1)CCN([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172561351 1132269264 /nfs/dbraw/zinc/26/92/64/1132269264.db2.gz QCOJVNUXJYVMQG-IAGOWNOFSA-N 0 1 266.388 3.640 20 0 CHADMN CN(Cc1cscn1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172565168 1132269598 /nfs/dbraw/zinc/26/95/98/1132269598.db2.gz SGSJGQQBVHAUIX-GDBMZVCRSA-N 0 1 272.417 3.911 20 0 CHADMN O=C(c1ccccc1O)c1ccccc1OC1CC=CC1 ZINC001231210280 1132271240 /nfs/dbraw/zinc/27/12/40/1132271240.db2.gz LIMROOQQTVPJQV-UHFFFAOYSA-N 0 1 280.323 3.721 20 0 CHADMN Fc1ccccc1[C@@H]1CCCN1Cc1cccc2c1OCO2 ZINC001141956719 1132271265 /nfs/dbraw/zinc/27/12/65/1132271265.db2.gz YANKRKXGESOOJW-INIZCTEOSA-N 0 1 299.345 3.892 20 0 CHADMN CC[C@@H](C)Oc1ccccc1C(=O)c1ccccc1O ZINC001231209690 1132272037 /nfs/dbraw/zinc/27/20/37/1132272037.db2.gz DFIZQBHKLBDTQR-GFCCVEGCSA-N 0 1 270.328 3.801 20 0 CHADMN Cc1onc(-c2ccccc2)c1CN1CCC[C@@H]1CF ZINC001141994161 1132288843 /nfs/dbraw/zinc/28/88/43/1132288843.db2.gz AXTIGTVKQPNXKS-CQSZACIVSA-N 0 1 274.339 3.584 20 0 CHADMN C[C@]1(F)CCCN([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172718649 1132296130 /nfs/dbraw/zinc/29/61/30/1132296130.db2.gz JPQYKIWQNITNOP-GJZGRUSLSA-N 0 1 267.775 3.631 20 0 CHADMN C[C@]1(F)CCCN([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172718647 1132296524 /nfs/dbraw/zinc/29/65/24/1132296524.db2.gz JPQYKIWQNITNOP-CABCVRRESA-N 0 1 267.775 3.631 20 0 CHADMN Cc1cc(C)c(CN2CCC(=O)[C@H]3CCCC[C@H]32)cc1C ZINC001231482725 1132298605 /nfs/dbraw/zinc/29/86/05/1132298605.db2.gz PTBRIAKCWSZCCI-ZWKOTPCHSA-N 0 1 285.431 3.945 20 0 CHADMN CSc1ccc(CN(CCO)Cc2cccs2)s1 ZINC001142025568 1132298936 /nfs/dbraw/zinc/29/89/36/1132298936.db2.gz BNNFHCZTMATJKN-UHFFFAOYSA-N 0 1 299.486 3.526 20 0 CHADMN CCCOC1CCN(Cc2ccc(F)c(C)c2F)CC1 ZINC001231478193 1132299635 /nfs/dbraw/zinc/29/96/35/1132299635.db2.gz ZXYZZTVEBLMIDD-UHFFFAOYSA-N 0 1 283.362 3.664 20 0 CHADMN Clc1nccnc1CNC1CCC2(CCCC2)CC1 ZINC001172725200 1132300045 /nfs/dbraw/zinc/30/00/45/1132300045.db2.gz PXUXKHJZIFKAGX-UHFFFAOYSA-N 0 1 279.815 3.723 20 0 CHADMN Cc1cc(CN2CC(C)(C)C[C@@H]2C)cnc1Cl ZINC000840970172 1132315437 /nfs/dbraw/zinc/31/54/37/1132315437.db2.gz QURLQZGZPTUXKU-NSHDSACASA-N 0 1 252.789 3.664 20 0 CHADMN c1coc(-c2ncc(CNc3nccn3C3CC3)s2)c1 ZINC000840886360 1132302991 /nfs/dbraw/zinc/30/29/91/1132302991.db2.gz DAXZGCRUJUTTJA-UHFFFAOYSA-N 0 1 286.360 3.547 20 0 CHADMN CCc1ccc(CN2CCc3c(O)cccc3C2)s1 ZINC001231500575 1132304861 /nfs/dbraw/zinc/30/48/61/1132304861.db2.gz YLZMAYVFNBYCLX-UHFFFAOYSA-N 0 1 273.401 3.574 20 0 CHADMN Cc1cc(CNCc2cccc(F)n2)ccc1C(F)(F)F ZINC000840908408 1132308698 /nfs/dbraw/zinc/30/86/98/1132308698.db2.gz WQKCNMKCOKNTFF-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Cc1nc2cc(Nc3ccc(O)cc3C)ccc2[nH]1 ZINC001213074060 1132309167 /nfs/dbraw/zinc/30/91/67/1132309167.db2.gz AWMCCQFUFRFAML-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1nc2cc(Nc3ccc(O)c(C)c3)ccc2[nH]1 ZINC001213074196 1132309691 /nfs/dbraw/zinc/30/96/91/1132309691.db2.gz IPZJGABBOGFJCC-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1cnc(CNC2CCC(Cc3ccccc3)CC2)nc1 ZINC001172817116 1132316069 /nfs/dbraw/zinc/31/60/69/1132316069.db2.gz QXFNTCAQMDPFDA-UHFFFAOYSA-N 0 1 295.430 3.676 20 0 CHADMN C(c1nc2c(s1)CCCC2)N1CCC12CCCCC2 ZINC001231579552 1132318163 /nfs/dbraw/zinc/31/81/63/1132318163.db2.gz CTLDLLOIOJHCHR-UHFFFAOYSA-N 0 1 276.449 3.931 20 0 CHADMN CCCCC1CCC(NC(=O)CCc2cc(C)[nH]n2)CC1 ZINC001142129113 1132330766 /nfs/dbraw/zinc/33/07/66/1132330766.db2.gz WKCKNYNFTWPYMV-UHFFFAOYSA-N 0 1 291.439 3.516 20 0 CHADMN Cc1nc2c(s1)CN([C@H]1CCc3ccc(C)cc3C1)C2 ZINC001172839828 1132331838 /nfs/dbraw/zinc/33/18/38/1132331838.db2.gz VKBVVUHTRPYQHO-HNNXBMFYSA-N 0 1 284.428 3.633 20 0 CHADMN CC(=O)[C@@H]1CCCN1Cc1c(C)sc2ccccc21 ZINC001231644717 1132334158 /nfs/dbraw/zinc/33/41/58/1132334158.db2.gz AQTJJRWNNZIPTE-HNNXBMFYSA-N 0 1 273.401 3.763 20 0 CHADMN Cc1nc(CN[C@H](C)Cc2ccc(F)cc2Cl)c(C)o1 ZINC001172853983 1132340266 /nfs/dbraw/zinc/34/02/66/1132340266.db2.gz FKFCHDVILFGEKD-SECBINFHSA-N 0 1 296.773 3.805 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)N1CCC[C@@]2(CCO2)C1 ZINC001172856051 1132341621 /nfs/dbraw/zinc/34/16/21/1132341621.db2.gz HJDUEXVHJXXSFP-MLGOLLRUSA-N 0 1 297.801 3.665 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1[nH]cnc1C(C)(C)C)CC2 ZINC001142208815 1132342055 /nfs/dbraw/zinc/34/20/55/1132342055.db2.gz CRSCTOJJRVXESN-UHFFFAOYSA-N 0 1 283.419 3.574 20 0 CHADMN CC(=O)[C@H]1CCCN([C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172856093 1132342402 /nfs/dbraw/zinc/34/24/02/1132342402.db2.gz ILXWNRJVIFOCKS-AAEUAGOBSA-N 0 1 297.801 3.711 20 0 CHADMN c1sc(CN2CCCC23CC3)nc1-c1ccccc1 ZINC001231680816 1132344405 /nfs/dbraw/zinc/34/44/05/1132344405.db2.gz XMBLLHUKOPUFPO-UHFFFAOYSA-N 0 1 270.401 3.939 20 0 CHADMN CCO[C@@H]1CCN([C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172862758 1132346700 /nfs/dbraw/zinc/34/67/00/1132346700.db2.gz TWOOLZIVGIWGCI-VXGBXAGGSA-N 0 1 285.790 3.521 20 0 CHADMN Oc1cc(CN2CCCCC23CC3)ccc1Cl ZINC001231736273 1132349492 /nfs/dbraw/zinc/34/94/92/1132349492.db2.gz GXRKOHJCYJMLCY-UHFFFAOYSA-N 0 1 251.757 3.564 20 0 CHADMN C[N@H+](Cc1ccc(Cl)c(O)c1)C[C@H]1CC1(C)C ZINC001231737233 1132350152 /nfs/dbraw/zinc/35/01/52/1132350152.db2.gz OKJUDFNKONGWEY-LLVKDONJSA-N 0 1 253.773 3.524 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)c([O-])c1)C[C@H]1CC1(C)C ZINC001231737233 1132350160 /nfs/dbraw/zinc/35/01/60/1132350160.db2.gz OKJUDFNKONGWEY-LLVKDONJSA-N 0 1 253.773 3.524 20 0 CHADMN C[N@H+](Cc1ccc(Cl)c([O-])c1)C[C@H]1CC1(C)C ZINC001231737233 1132350169 /nfs/dbraw/zinc/35/01/69/1132350169.db2.gz OKJUDFNKONGWEY-LLVKDONJSA-N 0 1 253.773 3.524 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(O)c2)[C@@H]1C ZINC001231734415 1132350338 /nfs/dbraw/zinc/35/03/38/1132350338.db2.gz YJILAZRQPAISSR-GHMZBOCLSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([O-])c2)[C@@H]1C ZINC001231734415 1132350346 /nfs/dbraw/zinc/35/03/46/1132350346.db2.gz YJILAZRQPAISSR-GHMZBOCLSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([O-])c2)[C@@H]1C ZINC001231734415 1132350352 /nfs/dbraw/zinc/35/03/52/1132350352.db2.gz YJILAZRQPAISSR-GHMZBOCLSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(Cl)c(O)c1 ZINC001231734418 1132352278 /nfs/dbraw/zinc/35/22/78/1132352278.db2.gz YJILAZRQPAISSR-WDEREUQCSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(Cl)c([O-])c1 ZINC001231734418 1132352287 /nfs/dbraw/zinc/35/22/87/1132352287.db2.gz YJILAZRQPAISSR-WDEREUQCSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(Cl)c([O-])c1 ZINC001231734418 1132352294 /nfs/dbraw/zinc/35/22/94/1132352294.db2.gz YJILAZRQPAISSR-WDEREUQCSA-N 0 1 253.773 3.666 20 0 CHADMN CN(Cc1[nH]cnc1C(C)(C)C)[C@@H]1CCc2ccccc21 ZINC001142242290 1132354813 /nfs/dbraw/zinc/35/48/13/1132354813.db2.gz GAHAMCORQJWWKX-MRXNPFEDSA-N 0 1 283.419 3.827 20 0 CHADMN CN(Cc1[nH]cnc1C(C)(C)C)[C@H]1CCc2ccccc21 ZINC001142242289 1132354912 /nfs/dbraw/zinc/35/49/12/1132354912.db2.gz GAHAMCORQJWWKX-INIZCTEOSA-N 0 1 283.419 3.827 20 0 CHADMN C[C@H](CSc1ccc(Cl)cc1)N1CCCC12COC2 ZINC001172877672 1132356421 /nfs/dbraw/zinc/35/64/21/1132356421.db2.gz FOZMRXLQHHHPJH-GFCCVEGCSA-N 0 1 297.851 3.685 20 0 CHADMN CCCCc1ccc(CN2CCOC[C@H]2C2CC2)cc1 ZINC001231781406 1132359876 /nfs/dbraw/zinc/35/98/76/1132359876.db2.gz GPEMCDJJOPKSSY-SFHVURJKSA-N 0 1 273.420 3.640 20 0 CHADMN CCCCc1ccc(CN2CCOCC23CCC3)cc1 ZINC001231782917 1132360848 /nfs/dbraw/zinc/36/08/48/1132360848.db2.gz UALMFNDTEHFHDJ-UHFFFAOYSA-N 0 1 273.420 3.784 20 0 CHADMN CC(C)Cc1ccc(CN2CCc3ncccc3C2)cc1 ZINC001231788151 1132362616 /nfs/dbraw/zinc/36/26/16/1132362616.db2.gz PDRQYDXUAYLPDB-UHFFFAOYSA-N 0 1 280.415 3.838 20 0 CHADMN COc1cccc2c1CCN(Cc1ccccc1SC)C2 ZINC001231788042 1132363757 /nfs/dbraw/zinc/36/37/57/1132363757.db2.gz UNVPCIUUWUNGTA-UHFFFAOYSA-N 0 1 299.439 3.975 20 0 CHADMN CN(Cc1ccc(OC(C)(C)C)cc1)Cc1ccccn1 ZINC001231803603 1132366777 /nfs/dbraw/zinc/36/67/77/1132366777.db2.gz CHTDFWBCMYULRF-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN CCN(Cc1ccccc1-c1ccccc1C)C1COC1 ZINC001231811139 1132369965 /nfs/dbraw/zinc/36/99/65/1132369965.db2.gz UTKPNFILRHTTGR-UHFFFAOYSA-N 0 1 281.399 3.883 20 0 CHADMN Cc1ccccc1-c1ccccc1CN1CCO[C@H](C)C1 ZINC001231812750 1132371715 /nfs/dbraw/zinc/37/17/15/1132371715.db2.gz RREYWCLAKRFPAN-MRXNPFEDSA-N 0 1 281.399 3.883 20 0 CHADMN CCCc1ccc(CN2CCC(=O)[C@@H]3CCCC[C@H]32)cc1 ZINC001142348687 1132372529 /nfs/dbraw/zinc/37/25/29/1132372529.db2.gz IYXPQWXIAPZQDE-QZTJIDSGSA-N 0 1 285.431 3.973 20 0 CHADMN Cc1csc2sc(CN3CC[C@@]34CCOC4)c(C)c12 ZINC001231831459 1132375374 /nfs/dbraw/zinc/37/53/74/1132375374.db2.gz NNLKZRZCEWQYIA-HNNXBMFYSA-N 0 1 293.457 3.944 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+]1CCC(=O)[C@H](C)CC1 ZINC001142371751 1132376361 /nfs/dbraw/zinc/37/63/61/1132376361.db2.gz CGOGFSVLPUPVFB-OAHLLOKOSA-N 0 1 281.399 3.949 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+]1CCC(=O)[C@@H](C)CC1 ZINC001142371750 1132377755 /nfs/dbraw/zinc/37/77/55/1132377755.db2.gz CGOGFSVLPUPVFB-HNNXBMFYSA-N 0 1 281.399 3.949 20 0 CHADMN C[C@@H]1CCCN1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001231856344 1132381880 /nfs/dbraw/zinc/38/18/80/1132381880.db2.gz MLDFRRSLQJBVHQ-MRVPVSSYSA-N 0 1 279.252 3.968 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001142428268 1132385856 /nfs/dbraw/zinc/38/58/56/1132385856.db2.gz INMVTIFYPZSMLQ-VIKVFOODSA-N 0 1 283.375 3.718 20 0 CHADMN FC(F)c1cc(CN2CCC23CCCC3)ccn1 ZINC001231888263 1132394885 /nfs/dbraw/zinc/39/48/85/1132394885.db2.gz DHOIWYDOJXBYOK-UHFFFAOYSA-N 0 1 252.308 3.538 20 0 CHADMN CN(Cc1cnc(C(F)(F)F)cc1Cl)CC1CCC1 ZINC001231900989 1132396409 /nfs/dbraw/zinc/39/64/09/1132396409.db2.gz BKTCERYFUUJLHT-UHFFFAOYSA-N 0 1 292.732 3.986 20 0 CHADMN CO[C@H](CNCc1ccnc(Cl)c1Cl)CC(C)C ZINC000841888079 1132400162 /nfs/dbraw/zinc/40/01/62/1132400162.db2.gz DHIOYRACSUGHMM-NSHDSACASA-N 0 1 291.222 3.539 20 0 CHADMN Fc1ncc(Cl)cc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001231994092 1132407822 /nfs/dbraw/zinc/40/78/22/1132407822.db2.gz BNABFFFTXOCFPN-GWCFXTLKSA-N 0 1 268.763 3.639 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1ccc(C(F)(F)F)cc1C ZINC001232005607 1132408703 /nfs/dbraw/zinc/40/87/03/1132408703.db2.gz OYDMTZVPUBXFIS-OAHLLOKOSA-N 0 1 299.336 3.957 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CC2(CSC2)C1 ZINC001232004700 1132409729 /nfs/dbraw/zinc/40/97/29/1132409729.db2.gz FWRDHHMLGZTFNS-UHFFFAOYSA-N 0 1 287.350 3.563 20 0 CHADMN COc1cccc2[nH]cc(CN3CCC[C@@](C)(F)C3)c21 ZINC001232034378 1132413364 /nfs/dbraw/zinc/41/33/64/1132413364.db2.gz HYLIMDXXWUATOV-MRXNPFEDSA-N 0 1 276.355 3.501 20 0 CHADMN Cc1cccc(C[N@@H+](Cc2cncc(O)c2)C2CC2)c1C ZINC001232043723 1132414566 /nfs/dbraw/zinc/41/45/66/1132414566.db2.gz KTSTWERRYGGNTI-UHFFFAOYSA-N 0 1 282.387 3.569 20 0 CHADMN Cc1cccc(CN(Cc2cncc(O)c2)C2CC2)c1C ZINC001232043723 1132414571 /nfs/dbraw/zinc/41/45/71/1132414571.db2.gz KTSTWERRYGGNTI-UHFFFAOYSA-N 0 1 282.387 3.569 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cc3ncccc3[nH]2)cn1 ZINC001232066224 1132416922 /nfs/dbraw/zinc/41/69/22/1132416922.db2.gz QRTKXMKSQMDOAQ-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN CCN(Cc1cc2ncccc2[nH]1)Cc1cccc(F)c1 ZINC001232066100 1132417111 /nfs/dbraw/zinc/41/71/11/1132417111.db2.gz MYGWPUBMHDBFHT-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C(=O)[O-])[C@H]1C ZINC001142657314 1132417567 /nfs/dbraw/zinc/41/75/67/1132417567.db2.gz VNRMCZKNDZMRBR-QWRGUYRKSA-N 0 1 281.783 3.659 20 0 CHADMN CCC(C)(C)c1ccc(CN2CC3(CSC3)C2)cc1 ZINC001232080923 1132420129 /nfs/dbraw/zinc/42/01/29/1132420129.db2.gz MSSDCYSTJGJMFC-UHFFFAOYSA-N 0 1 275.461 3.923 20 0 CHADMN CCN(Cc1cc2ccncc2[nH]1)Cc1cccc(F)c1 ZINC001232095406 1132421866 /nfs/dbraw/zinc/42/18/66/1132421866.db2.gz GNUHHXCWCHRXCC-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1cc2ccncc2[nH]1 ZINC001232095425 1132422711 /nfs/dbraw/zinc/42/27/11/1132422711.db2.gz HHQPSROWTHFKBZ-ZDUSSCGKSA-N 0 1 277.371 3.510 20 0 CHADMN c1c2ccncc2[nH]c1CN1CCC[C@H]2CCCC[C@@H]21 ZINC001232093585 1132423055 /nfs/dbraw/zinc/42/30/55/1132423055.db2.gz FAFLPAWAGQIGRY-DYVFJYSZSA-N 0 1 269.392 3.718 20 0 CHADMN CCCC[C@H](CC(C)C)N1CC(F)(F)C[C@]1(C)CO ZINC001173258659 1132426893 /nfs/dbraw/zinc/42/68/93/1132426893.db2.gz YDUGGLCNNJDGQZ-ZIAGYGMSSA-N 0 1 277.399 3.683 20 0 CHADMN COc1ccnc(Cl)c1CN1CCC[C@@H]2CCCC[C@H]21 ZINC001232153247 1132428645 /nfs/dbraw/zinc/42/86/45/1132428645.db2.gz JIGYMJWABCDXPR-GXTWGEPZSA-N 0 1 294.826 3.898 20 0 CHADMN CCCC[C@@H](CC(C)C)N1CCn2c(cnc2C)C1 ZINC001173261581 1132429315 /nfs/dbraw/zinc/42/93/15/1132429315.db2.gz PHLWZTKGEJWCBB-HNNXBMFYSA-N 0 1 263.429 3.612 20 0 CHADMN CC[C@H]1CC[C@H](NC2(c3ccc(Cl)cc3)COC2)C1 ZINC001173265676 1132431707 /nfs/dbraw/zinc/43/17/07/1132431707.db2.gz IGADCUDZRCSYKG-WFASDCNBSA-N 0 1 279.811 3.734 20 0 CHADMN Cc1cnc(CN2[C@H](C)CCC[C@H]2C)c(Br)c1 ZINC001232172576 1132432552 /nfs/dbraw/zinc/43/25/52/1132432552.db2.gz DWPIJZGKRMZKGP-VXGBXAGGSA-N 0 1 297.240 3.915 20 0 CHADMN CC[C@@H]1CC[C@@H](N2Cc3cnn(-c4ccccc4)c3C2)C1 ZINC001173294751 1132443895 /nfs/dbraw/zinc/44/38/95/1132443895.db2.gz OSUSLYJJBQVZJJ-RHSMWYFYSA-N 0 1 281.403 3.767 20 0 CHADMN CCCCCCO[C@@H](C)c1nc([C@@H](N)CC(C)C)no1 ZINC000842585893 1132444703 /nfs/dbraw/zinc/44/47/03/1132444703.db2.gz GVGPVXVSYPNLPC-STQMWFEESA-N 0 1 283.416 3.773 20 0 CHADMN CCOCC1CCN(Cc2cc(Cl)cs2)CC1 ZINC001232279755 1132449458 /nfs/dbraw/zinc/44/94/58/1132449458.db2.gz FHKCWMIFJPFGIZ-UHFFFAOYSA-N 0 1 273.829 3.650 20 0 CHADMN CCOc1ccc(CN2CCC[C@H]2c2ccccn2)c(C)n1 ZINC001232312866 1132453339 /nfs/dbraw/zinc/45/33/39/1132453339.db2.gz HAAONGFUHRLHER-KRWDZBQOSA-N 0 1 297.402 3.521 20 0 CHADMN CC[C@@H]1CC[C@@H](N2CCc3c([nH]nc3C(F)(F)F)C2)C1 ZINC001173283495 1132454375 /nfs/dbraw/zinc/45/43/75/1132454375.db2.gz MBISTCQNKSOBIZ-GIPNMCIBSA-N 0 1 287.329 3.922 20 0 CHADMN C[C@H]1CCN(Cc2cccc(-c3ccccn3)c2)CCC1=O ZINC001142828928 1132455187 /nfs/dbraw/zinc/45/51/87/1132455187.db2.gz OGNKOIBJHYROSG-HNNXBMFYSA-N 0 1 294.398 3.550 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1cccc(-c2ccccn2)c1 ZINC001142849029 1132460467 /nfs/dbraw/zinc/46/04/67/1132460467.db2.gz JYBVFZGHKRUGOR-IBGZPJMESA-N 0 1 294.398 3.692 20 0 CHADMN Cc1cccc(CN2CC3(CCC3)C2)c1OC(C)C ZINC001232393878 1132463659 /nfs/dbraw/zinc/46/36/59/1132463659.db2.gz UCJBMCOYGVCOBA-UHFFFAOYSA-N 0 1 259.393 3.768 20 0 CHADMN CC(=O)[C@@H]1CCCN(Cc2cccc(C)c2OC(C)C)C1 ZINC001232395899 1132465265 /nfs/dbraw/zinc/46/52/65/1132465265.db2.gz YMLQSACTSMQNBQ-MRXNPFEDSA-N 0 1 289.419 3.583 20 0 CHADMN C[C@@H](NC/C=C/c1ccccc1)c1cc2n(n1)CCCC2 ZINC000842841069 1132467951 /nfs/dbraw/zinc/46/79/51/1132467951.db2.gz SHJGVPOMYYMDIL-JOZWUWCOSA-N 0 1 281.403 3.583 20 0 CHADMN Fc1ccc2nc(CN3CCC[C@@H]3c3ccccc3)cn2c1 ZINC001232413936 1132468109 /nfs/dbraw/zinc/46/81/09/1132468109.db2.gz YVVUIZBRKVTMNM-QGZVFWFLSA-N 0 1 295.361 3.811 20 0 CHADMN CN(Cc1cc(OCc2ccccc2)no1)CC(C)(C)C ZINC001232447689 1132471568 /nfs/dbraw/zinc/47/15/68/1132471568.db2.gz LJIYHKZSHNZBOI-UHFFFAOYSA-N 0 1 288.391 3.732 20 0 CHADMN C[C@H]1CN(Cc2cc(OCc3ccccc3)no2)C2(CC2)C1 ZINC001232450021 1132471586 /nfs/dbraw/zinc/47/15/86/1132471586.db2.gz OJQOEKQCYYAWHJ-CQSZACIVSA-N 0 1 298.386 3.628 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(F)(F)F)o2)C2(CC2)C1 ZINC001232446452 1132471895 /nfs/dbraw/zinc/47/18/95/1132471895.db2.gz MNWJXFWMHXAHCK-VIFPVBQESA-N 0 1 259.271 3.673 20 0 CHADMN c1c(CN2CC3CCC2CC3)onc1OCc1ccccc1 ZINC001232453170 1132472089 /nfs/dbraw/zinc/47/20/89/1132472089.db2.gz RNYCAWDFMOWZAO-UHFFFAOYSA-N 0 1 298.386 3.628 20 0 CHADMN Cc1cnc(CN)n1[C@H]1CCCC2(CCCCC2)C1 ZINC001173348332 1132473144 /nfs/dbraw/zinc/47/31/44/1132473144.db2.gz JRYQFISYSFNWJS-AWEZNQCLSA-N 0 1 261.413 3.716 20 0 CHADMN Cc1ccc(-c2nc([C@H](N)C(C)C)no2)c(Cl)c1C ZINC000843150038 1132473451 /nfs/dbraw/zinc/47/34/51/1132473451.db2.gz RRIYPALMFMZQGR-GFCCVEGCSA-N 0 1 279.771 3.663 20 0 CHADMN CCc1csc(CN2CCC23CCCCC3)n1 ZINC001232472960 1132475632 /nfs/dbraw/zinc/47/56/32/1132475632.db2.gz TYPVJOULNUAWLB-UHFFFAOYSA-N 0 1 250.411 3.614 20 0 CHADMN Cc1cccc(F)c1CN1CCc2ccccc2C1 ZINC001232482151 1132477532 /nfs/dbraw/zinc/47/75/32/1132477532.db2.gz OITFYLHJUZZGGW-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN Cc1cccc(F)c1CN1CCC[C@@H](C(F)(F)F)C1 ZINC001232487048 1132479974 /nfs/dbraw/zinc/47/99/74/1132479974.db2.gz LJYUDEULYBQTAV-LLVKDONJSA-N 0 1 275.289 3.908 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2cc(F)ccn2)c1 ZINC001232490996 1132480363 /nfs/dbraw/zinc/48/03/63/1132480363.db2.gz PNMVMFDYLUUBQV-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@]1(F)CCCN(Cc2occc2Br)CC1 ZINC001143116252 1132504076 /nfs/dbraw/zinc/50/40/76/1132504076.db2.gz BRFAVPUHJFUXFC-LBPRGKRZSA-N 0 1 290.176 3.756 20 0 CHADMN c1cc2cc(CN3CCC(c4ccccn4)CC3)ncc2o1 ZINC001232552260 1132486003 /nfs/dbraw/zinc/48/60/03/1132486003.db2.gz BBWOAWBPNDOSQB-UHFFFAOYSA-N 0 1 293.370 3.602 20 0 CHADMN COc1cc(C)c(C[N@H+]2CCn3cccc3[C@H]2C)c(C)c1 ZINC001142941963 1132487043 /nfs/dbraw/zinc/48/70/43/1132487043.db2.gz NJHMXQPNIKDMOI-OAHLLOKOSA-N 0 1 284.403 3.690 20 0 CHADMN COc1cc(C)c(CN2CCn3cccc3[C@H]2C)c(C)c1 ZINC001142941963 1132487048 /nfs/dbraw/zinc/48/70/48/1132487048.db2.gz NJHMXQPNIKDMOI-OAHLLOKOSA-N 0 1 284.403 3.690 20 0 CHADMN Fc1ccc([C@@H]2CCC[N@H+]2Cc2cccn3ccnc23)cc1 ZINC001142944715 1132487888 /nfs/dbraw/zinc/48/78/88/1132487888.db2.gz RMGHPKYYAZLMDG-KRWDZBQOSA-N 0 1 295.361 3.811 20 0 CHADMN CCCCCN(C)Cc1ccc(C(=O)OC)cc1Cl ZINC001232575607 1132489147 /nfs/dbraw/zinc/48/91/47/1132489147.db2.gz WBBRUXWPESIBJR-UHFFFAOYSA-N 0 1 283.799 3.749 20 0 CHADMN COC(=O)c1ccc(CN2CCCC[C@H]2C)c(Cl)c1 ZINC001232575720 1132489362 /nfs/dbraw/zinc/48/93/62/1132489362.db2.gz ZZSBYFVVZHDNTG-LLVKDONJSA-N 0 1 281.783 3.501 20 0 CHADMN Fc1ccc2c(c1)CN(C1Cc3cc(F)c(F)cc3C1)C2 ZINC001173488433 1132489517 /nfs/dbraw/zinc/48/95/17/1132489517.db2.gz VVLFLKQTGCEBRR-UHFFFAOYSA-N 0 1 289.300 3.587 20 0 CHADMN c1ccc(COc2ccnc(CN3CCCC34CC4)c2)cc1 ZINC001232586219 1132490347 /nfs/dbraw/zinc/49/03/47/1132490347.db2.gz YUMRGSZHLWXYJP-UHFFFAOYSA-N 0 1 294.398 3.789 20 0 CHADMN Cc1cc(Nc2cccnc2C2CC2)n(-c2ccncc2)n1 ZINC001212738079 1132490757 /nfs/dbraw/zinc/49/07/57/1132490757.db2.gz SJTNILWWPZJYBY-UHFFFAOYSA-N 0 1 291.358 3.592 20 0 CHADMN Cc1cc(Cl)cc(-c2noc([C@](C)(N)C(C)C)n2)c1 ZINC001249280341 1132492849 /nfs/dbraw/zinc/49/28/49/1132492849.db2.gz AQIYMYYWGPCGSA-CQSZACIVSA-N 0 1 279.771 3.528 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1ccc3ccsc3c1)C2 ZINC001232613892 1132494950 /nfs/dbraw/zinc/49/49/50/1132494950.db2.gz CKNCUEUADXEBPN-HOCLYGCPSA-N 0 1 273.401 3.655 20 0 CHADMN COc1cccc(C)c1CN(C)Cc1ccc(F)cc1 ZINC001232622189 1132496587 /nfs/dbraw/zinc/49/65/87/1132496587.db2.gz QWJASOGXAIJDNC-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN CC1CC[NH+](Cc2ccc(Cl)c([O-])c2Cl)CC1 ZINC001232624848 1132496996 /nfs/dbraw/zinc/49/69/96/1132496996.db2.gz ZZVQBRRORLJKPD-UHFFFAOYSA-N 0 1 274.191 3.931 20 0 CHADMN [O-]c1c(Cl)ccc(C[N@@H+]2CCC3(CC3)C2)c1Cl ZINC001232625102 1132497031 /nfs/dbraw/zinc/49/70/31/1132497031.db2.gz JALQLTRQVFXANS-UHFFFAOYSA-N 0 1 272.175 3.685 20 0 CHADMN [O-]c1c(Cl)ccc(C[N@H+]2CCC3(CC3)C2)c1Cl ZINC001232625102 1132497034 /nfs/dbraw/zinc/49/70/34/1132497034.db2.gz JALQLTRQVFXANS-UHFFFAOYSA-N 0 1 272.175 3.685 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2ccc(SC(F)F)cc2)n1 ZINC000843151357 1132497797 /nfs/dbraw/zinc/49/77/97/1132497797.db2.gz HTPWXQZUPHMRLB-JTQLQIEISA-N 0 1 299.346 3.707 20 0 CHADMN CCCCCC[C@H](C)c1nc([C@H](N)C(C)C)no1 ZINC000843148998 1132497824 /nfs/dbraw/zinc/49/78/24/1132497824.db2.gz HMGIXFKGHIRXMV-NWDGAFQWSA-N 0 1 253.390 3.799 20 0 CHADMN CC(C)[C@H](N)c1noc([C@H](C)Oc2ccccc2Cl)n1 ZINC000843151959 1132498025 /nfs/dbraw/zinc/49/80/25/1132498025.db2.gz IPFGDONZKPQLJG-CABZTGNLSA-N 0 1 295.770 3.519 20 0 CHADMN CN(Cc1cccnc1)Cc1cccc2c1CCCC2 ZINC001232634872 1132498044 /nfs/dbraw/zinc/49/80/44/1132498044.db2.gz YRYDCBWRHCSBIK-UHFFFAOYSA-N 0 1 266.388 3.592 20 0 CHADMN [O-]c1c(Cl)ccc(C[N@@H+]2CCC[C@H](CF)C2)c1Cl ZINC001232631215 1132498261 /nfs/dbraw/zinc/49/82/61/1132498261.db2.gz MKNNXPWQOMIXMD-SECBINFHSA-N 0 1 292.181 3.881 20 0 CHADMN [O-]c1c(Cl)ccc(C[N@H+]2CCC[C@H](CF)C2)c1Cl ZINC001232631215 1132498264 /nfs/dbraw/zinc/49/82/64/1132498264.db2.gz MKNNXPWQOMIXMD-SECBINFHSA-N 0 1 292.181 3.881 20 0 CHADMN CCc1ccc2occ(-c3nc([C@H](N)C(C)C)no3)c2c1 ZINC000843155663 1132498567 /nfs/dbraw/zinc/49/85/67/1132498567.db2.gz WYSRAHJOWYOUIO-CQSZACIVSA-N 0 1 285.347 3.701 20 0 CHADMN CC[C@@H](Oc1cccc(C)c1)c1nc([C@H](N)C(C)C)no1 ZINC000843154776 1132498793 /nfs/dbraw/zinc/49/87/93/1132498793.db2.gz ZVSCQLULBUKLOU-ZIAGYGMSSA-N 0 1 289.379 3.564 20 0 CHADMN [O-]c1c(Cl)ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1Cl ZINC001232626731 1132499035 /nfs/dbraw/zinc/49/90/35/1132499035.db2.gz ABLISYZBZQNGCU-QXEWZRGKSA-N 0 1 290.165 3.631 20 0 CHADMN [O-]c1c(Cl)ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1Cl ZINC001232626731 1132499040 /nfs/dbraw/zinc/49/90/40/1132499040.db2.gz ABLISYZBZQNGCU-QXEWZRGKSA-N 0 1 290.165 3.631 20 0 CHADMN CC[C@H](Oc1cccc(C)c1)c1nc([C@H](N)C(C)C)no1 ZINC000843154773 1132499022 /nfs/dbraw/zinc/49/90/22/1132499022.db2.gz ZVSCQLULBUKLOU-UONOGXRCSA-N 0 1 289.379 3.564 20 0 CHADMN CCCCCC[C@@H](C)c1nc([C@H](N)C(C)C)no1 ZINC000843149000 1132499031 /nfs/dbraw/zinc/49/90/31/1132499031.db2.gz HMGIXFKGHIRXMV-VXGBXAGGSA-N 0 1 253.390 3.799 20 0 CHADMN C[N@H+](Cc1ccc(Cl)c([O-])c1Cl)CC1CCC1 ZINC001232631944 1132499216 /nfs/dbraw/zinc/49/92/16/1132499216.db2.gz SUGHUKDKLDSJSW-UHFFFAOYSA-N 0 1 274.191 3.931 20 0 CHADMN c1cc2c(o1)CCN(Cc1cccc3c1CCCC3)C2 ZINC001232639055 1132499746 /nfs/dbraw/zinc/49/97/46/1132499746.db2.gz STBMHWNCKYWBBJ-UHFFFAOYSA-N 0 1 267.372 3.717 20 0 CHADMN c1ccc([C@H]2CCN2Cc2cncc3cnccc32)cc1 ZINC001232651665 1132501192 /nfs/dbraw/zinc/50/11/92/1132501192.db2.gz CZFXMYCUZXDGIN-GOSISDBHSA-N 0 1 275.355 3.577 20 0 CHADMN C[C@H]1CCCN(Cc2ccc(Br)[nH]2)C[C@H]1C ZINC001232684171 1132504928 /nfs/dbraw/zinc/50/49/28/1132504928.db2.gz LZGNWGFOIVQNLF-WDEREUQCSA-N 0 1 285.229 3.645 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2ccc(C(C)(F)F)cc2)no1 ZINC000843234885 1132505760 /nfs/dbraw/zinc/50/57/60/1132505760.db2.gz WUVHUFWTUJTFKV-JTQLQIEISA-N 0 1 295.333 3.909 20 0 CHADMN COc1cc(C)cc(CN2CCC(C(F)(F)F)CC2)c1 ZINC001143150712 1132507708 /nfs/dbraw/zinc/50/77/08/1132507708.db2.gz UNYWUCFRQJBMJZ-UHFFFAOYSA-N 0 1 287.325 3.778 20 0 CHADMN CCCN[C@@H](C)c1nc(C2(c3cc(C)cc(C)c3)CC2)no1 ZINC000843238905 1132507723 /nfs/dbraw/zinc/50/77/23/1132507723.db2.gz VVONQGZJVVBFMW-AWEZNQCLSA-N 0 1 299.418 3.827 20 0 CHADMN CN(Cc1cc(F)c(Cl)cc1Cl)C1CCOCC1 ZINC001232698565 1132507868 /nfs/dbraw/zinc/50/78/68/1132507868.db2.gz PCZHXMSKLHIYLT-UHFFFAOYSA-N 0 1 292.181 3.743 20 0 CHADMN FC(F)(F)[C@H]1CC[N@@H+](Cc2ccc3ncsc3c2)C1 ZINC001232741450 1132514057 /nfs/dbraw/zinc/51/40/57/1132514057.db2.gz LMWZKOONJBNJCT-JTQLQIEISA-N 0 1 286.322 3.681 20 0 CHADMN FC(F)(F)[C@H]1CCN(Cc2ccc3ncsc3c2)C1 ZINC001232741450 1132514062 /nfs/dbraw/zinc/51/40/62/1132514062.db2.gz LMWZKOONJBNJCT-JTQLQIEISA-N 0 1 286.322 3.681 20 0 CHADMN c1cc2c(s1)C[N@@H+](Cc1ccc3ncsc3c1)CC2 ZINC001232742532 1132514135 /nfs/dbraw/zinc/51/41/35/1132514135.db2.gz YLLQFNAHCYCTAK-UHFFFAOYSA-N 0 1 286.425 3.916 20 0 CHADMN c1cc2c(s1)CN(Cc1ccc3ncsc3c1)CC2 ZINC001232742532 1132514143 /nfs/dbraw/zinc/51/41/43/1132514143.db2.gz YLLQFNAHCYCTAK-UHFFFAOYSA-N 0 1 286.425 3.916 20 0 CHADMN CCN(Cc1cccs1)Cc1scc2c1OCCO2 ZINC001143191275 1132516312 /nfs/dbraw/zinc/51/63/12/1132516312.db2.gz ZFUTTXBYCZXAQH-UHFFFAOYSA-N 0 1 295.429 3.603 20 0 CHADMN COc1ccc(CN(C)Cc2ccnc(Cl)c2C)cc1 ZINC001232749681 1132517032 /nfs/dbraw/zinc/51/70/32/1132517032.db2.gz OIHZSDVGAFZSGY-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN CCCCC1CCN(Cc2cn(CCC)cn2)CC1 ZINC001232798097 1132522992 /nfs/dbraw/zinc/52/29/92/1132522992.db2.gz VORWLKQFDPHMOE-UHFFFAOYSA-N 0 1 263.429 3.695 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(C(F)F)cc2)cn1 ZINC001143253180 1132524781 /nfs/dbraw/zinc/52/47/81/1132524781.db2.gz NJGDGDRWYPRGGI-UHFFFAOYSA-N 0 1 276.330 3.960 20 0 CHADMN Fc1cc(CN2CCC[C@H]3C[C@H]32)cc(OC(F)(F)F)c1 ZINC001143261852 1132526646 /nfs/dbraw/zinc/52/66/46/1132526646.db2.gz FTKGZHKCQBJPQR-GXFFZTMASA-N 0 1 289.272 3.709 20 0 CHADMN C[C@H]1CCCN(Cc2cc(Br)co2)[C@H]1C ZINC001232854945 1132530405 /nfs/dbraw/zinc/53/04/05/1132530405.db2.gz SABPSBLVSLHPDD-UWVGGRQHSA-N 0 1 272.186 3.663 20 0 CHADMN COc1c(F)ccc(CN2CCC[C@@H](C)[C@@H]2C)c1F ZINC001143318781 1132534641 /nfs/dbraw/zinc/53/46/41/1132534641.db2.gz ZNAGVKJXOHKMIZ-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN COc1c(F)ccc(CN2[C@H](C)CCC[C@@H]2C)c1F ZINC001143303881 1132535685 /nfs/dbraw/zinc/53/56/85/1132535685.db2.gz BSJFRMBHTMOGRY-PHIMTYICSA-N 0 1 269.335 3.736 20 0 CHADMN Cc1cc(O)cc(CN2CC[C@@H]2c2ccccc2)c1 ZINC001232885873 1132537236 /nfs/dbraw/zinc/53/72/36/1132537236.db2.gz NIZIWFRYCVILMZ-QGZVFWFLSA-N 0 1 253.345 3.648 20 0 CHADMN Cc1cc(-c2cc(OC(C)C)ncc2F)cc2nc[nH]c21 ZINC001206630575 1132539675 /nfs/dbraw/zinc/53/96/75/1132539675.db2.gz SSAXUKFCJLAZIF-UHFFFAOYSA-N 0 1 285.322 3.860 20 0 CHADMN FC(F)(F)Oc1ccc(CN2C[C@@H]3C[C@@H]3C2)c(Cl)c1 ZINC001232992526 1132558023 /nfs/dbraw/zinc/55/80/23/1132558023.db2.gz WAEVIJTZJODNPW-AOOOYVTPSA-N 0 1 291.700 3.690 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1ccc(C2CC2)cc1 ZINC001232986847 1132558617 /nfs/dbraw/zinc/55/86/17/1132558617.db2.gz XOICJQLRDOBNDY-KRWDZBQOSA-N 0 1 257.377 3.508 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1cnc(C)cc1C)C2 ZINC001233009418 1132561971 /nfs/dbraw/zinc/56/19/71/1132561971.db2.gz UQIYINVRNBKREX-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c1F ZINC001233053513 1132567968 /nfs/dbraw/zinc/56/79/68/1132567968.db2.gz RCGDNTCBEVPCHW-OLZOCXBDSA-N 0 1 263.356 3.543 20 0 CHADMN [O-]c1cccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1F ZINC001233053513 1132567974 /nfs/dbraw/zinc/56/79/74/1132567974.db2.gz RCGDNTCBEVPCHW-OLZOCXBDSA-N 0 1 263.356 3.543 20 0 CHADMN [O-]c1cccc(C[NH+]2CCC(c3ccccc3)CC2)c1F ZINC001233051615 1132568211 /nfs/dbraw/zinc/56/82/11/1132568211.db2.gz PSBODSZAYNPUMN-UHFFFAOYSA-N 0 1 285.362 3.911 20 0 CHADMN Oc1cccc(CN2CCC(c3ccccc3)CC2)c1F ZINC001233051615 1132568215 /nfs/dbraw/zinc/56/82/15/1132568215.db2.gz PSBODSZAYNPUMN-UHFFFAOYSA-N 0 1 285.362 3.911 20 0 CHADMN CCOC(=O)c1nc(C)sc1N=CCc1ccccc1 ZINC001173870436 1132573175 /nfs/dbraw/zinc/57/31/75/1132573175.db2.gz MOUPOQXSIUYRQV-MDZDMXLPSA-N 0 1 288.372 3.711 20 0 CHADMN C[C@@H]1CN(Cc2[nH]nc3cc(F)ccc32)Cc2ccccc21 ZINC001233119010 1132573160 /nfs/dbraw/zinc/57/31/60/1132573160.db2.gz GXEUVPWUJWRILP-GFCCVEGCSA-N 0 1 295.361 3.821 20 0 CHADMN CC(C)Oc1ncc(Cl)cc1CN(CC1CC1)C1CC1 ZINC001233165768 1132576342 /nfs/dbraw/zinc/57/63/42/1132576342.db2.gz OACXPYLEECZVOV-UHFFFAOYSA-N 0 1 294.826 3.897 20 0 CHADMN CCOc1ncc(Cl)cc1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC001233167437 1132576503 /nfs/dbraw/zinc/57/65/03/1132576503.db2.gz OIDNLIRBDGPNEQ-BETUJISGSA-N 0 1 294.826 3.756 20 0 CHADMN COC(CN(C)Cc1ccc(-c2cccc(C)c2)cc1)OC ZINC001233225093 1132584387 /nfs/dbraw/zinc/58/43/87/1132584387.db2.gz KSHIWCVNMYCPDI-UHFFFAOYSA-N 0 1 299.414 3.713 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1ccc(C)c(O)c1)C2 ZINC001233234869 1132587549 /nfs/dbraw/zinc/58/75/49/1132587549.db2.gz GOUBRHYBOAVUCI-UHFFFAOYSA-N 0 1 267.372 3.567 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)c2n[nH]c3cccnc32)cc1 ZINC001153145981 1132590774 /nfs/dbraw/zinc/59/07/74/1132590774.db2.gz VESFUNRBQBASIN-LLVKDONJSA-N 0 1 294.358 3.724 20 0 CHADMN O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2ccc([S-])cc2)C1 ZINC001233262696 1132593032 /nfs/dbraw/zinc/59/30/32/1132593032.db2.gz QXJIWNJGWKEFEK-MRXNPFEDSA-N 0 1 297.423 3.680 20 0 CHADMN c1ccc(Cc2ccc(CN3CCCC34COC4)cc2)cc1 ZINC001233331220 1132600865 /nfs/dbraw/zinc/60/08/65/1132600865.db2.gz MGPXBWBKELTNDA-UHFFFAOYSA-N 0 1 293.410 3.642 20 0 CHADMN CCc1ccc(CN(C)Cc2sncc2C)cc1 ZINC001233321290 1132601109 /nfs/dbraw/zinc/60/11/09/1132601109.db2.gz HUHYJUSRIPFFLL-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN COc1cc(F)c(CN2CCC[C@H](C)[C@@H]2C)cc1F ZINC001233343650 1132605589 /nfs/dbraw/zinc/60/55/89/1132605589.db2.gz UZRHPDFJFCAEAP-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN COc1cc(F)c(CN2CCC[C@@H](C)[C@H]2C)cc1F ZINC001233343648 1132606336 /nfs/dbraw/zinc/60/63/36/1132606336.db2.gz UZRHPDFJFCAEAP-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN F[C@H]1CCCCN(Cc2cc3cccnc3s2)C1 ZINC001233346051 1132606959 /nfs/dbraw/zinc/60/69/59/1132606959.db2.gz PIJBWBGDUGQGBX-LBPRGKRZSA-N 0 1 264.369 3.620 20 0 CHADMN CSc1cccc(Cl)c1CN1CC[C@@](C)(O)[C@H](C)C1 ZINC001233350440 1132607842 /nfs/dbraw/zinc/60/78/42/1132607842.db2.gz HPOMKQUCJMAFSB-IAQYHMDHSA-N 0 1 299.867 3.655 20 0 CHADMN CSc1cccc(Cl)c1C[N@H+]1CCC[C@@]12CCOC2 ZINC001233353116 1132610288 /nfs/dbraw/zinc/61/02/88/1132610288.db2.gz HPIIQNFUKSFHIL-HNNXBMFYSA-N 0 1 297.851 3.817 20 0 CHADMN CSc1cccc(Cl)c1CN1CCC[C@@]12CCOC2 ZINC001233353116 1132610289 /nfs/dbraw/zinc/61/02/89/1132610289.db2.gz HPIIQNFUKSFHIL-HNNXBMFYSA-N 0 1 297.851 3.817 20 0 CHADMN Nc1ccc(CN2CC(c3ccccc3)C2)c(Cl)c1 ZINC001233376614 1132611900 /nfs/dbraw/zinc/61/19/00/1132611900.db2.gz RNULISHNCLAHQJ-UHFFFAOYSA-N 0 1 272.779 3.522 20 0 CHADMN Cc1ncc(CN2CC[C@@H](c3ccccc3Cl)C2)o1 ZINC001233367020 1132612637 /nfs/dbraw/zinc/61/26/37/1132612637.db2.gz DZSVCEZFDAPAFF-GFCCVEGCSA-N 0 1 276.767 3.626 20 0 CHADMN CCCCCN(C)Cc1cn2ccc(Cl)cc2n1 ZINC001233388866 1132614170 /nfs/dbraw/zinc/61/41/70/1132614170.db2.gz OZCBVRKNFCINCX-UHFFFAOYSA-N 0 1 265.788 3.610 20 0 CHADMN COc1ccc(CN(C)C[C@H]2CC2(C)C)c(Cl)c1O ZINC001233401280 1132617863 /nfs/dbraw/zinc/61/78/63/1132617863.db2.gz SZRWSJPARGOYRK-LLVKDONJSA-N 0 1 283.799 3.532 20 0 CHADMN CCN(C)c1cc(C)nc(N[C@@H](c2ccccc2)C2CC2)n1 ZINC001154638348 1132619486 /nfs/dbraw/zinc/61/94/86/1132619486.db2.gz VMYCIYBSXNZQAO-KRWDZBQOSA-N 0 1 296.418 3.804 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1cn2cccc(Cl)c2n1 ZINC001233423670 1132621160 /nfs/dbraw/zinc/62/11/60/1132621160.db2.gz HCFTUSXQBLNDDK-CQSZACIVSA-N 0 1 277.799 3.608 20 0 CHADMN CC[C@@H](C)N(C)Cc1cc(Br)ncc1Cl ZINC001233425479 1132621578 /nfs/dbraw/zinc/62/15/78/1132621578.db2.gz AFQNGLDJKUDMNW-MRVPVSSYSA-N 0 1 291.620 3.728 20 0 CHADMN COc1cccc(-c2ccc(Nc3ccncc3)cc2)c1 ZINC001173883354 1132623006 /nfs/dbraw/zinc/62/30/06/1132623006.db2.gz GKKRIKKGKYIQAF-UHFFFAOYSA-N 0 1 276.339 3.923 20 0 CHADMN CCCC1CCN(Cc2c[nH]c(Br)c2)CC1 ZINC001233436876 1132623192 /nfs/dbraw/zinc/62/31/92/1132623192.db2.gz BSZXXBOACBUELB-UHFFFAOYSA-N 0 1 285.229 3.789 20 0 CHADMN Cc1c(Br)ccc(Nc2ccncc2)c1C ZINC001173883164 1132623373 /nfs/dbraw/zinc/62/33/73/1132623373.db2.gz ATQOQBBTCRDEHE-UHFFFAOYSA-N 0 1 277.165 3.626 20 0 CHADMN FC(F)(F)c1c(Nc2ccncc2)cnc2ccccc21 ZINC001173881326 1132623379 /nfs/dbraw/zinc/62/33/79/1132623379.db2.gz NADRXCURYOQNDY-UHFFFAOYSA-N 0 1 289.260 3.814 20 0 CHADMN CC(C)n1nc(-c2ccccc2)cc1Nc1ccncc1 ZINC001173882286 1132624225 /nfs/dbraw/zinc/62/42/25/1132624225.db2.gz MFMQNDSCTMNBDY-UHFFFAOYSA-N 0 1 278.359 3.692 20 0 CHADMN Fc1c(Nc2ccncc2)ccc(C(F)(F)F)c1F ZINC001173884123 1132625563 /nfs/dbraw/zinc/62/55/63/1132625563.db2.gz INWQAVRBQPDYQJ-UHFFFAOYSA-N 0 1 274.192 3.544 20 0 CHADMN CC(C)(C)COc1c(F)cccc1Nc1ccncc1 ZINC001173884767 1132625780 /nfs/dbraw/zinc/62/57/80/1132625780.db2.gz ZTEGKTSDEPMBMX-UHFFFAOYSA-N 0 1 274.339 3.811 20 0 CHADMN c1ccc(COc2ccccc2Nc2ccncc2)cc1 ZINC001173883569 1132625788 /nfs/dbraw/zinc/62/57/88/1132625788.db2.gz MYLAEXSBUAOSRJ-UHFFFAOYSA-N 0 1 276.339 3.826 20 0 CHADMN CC(C)CN(Cc1ccccc1)Cc1cncc(Cl)n1 ZINC001233446989 1132626099 /nfs/dbraw/zinc/62/60/99/1132626099.db2.gz PVKFCRYBWHXLAT-UHFFFAOYSA-N 0 1 289.810 3.788 20 0 CHADMN CCCCNc1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001154828030 1132626805 /nfs/dbraw/zinc/62/68/05/1132626805.db2.gz ZIZOGQBNFZQYHS-UHFFFAOYSA-N 0 1 295.430 3.852 20 0 CHADMN CN(Cc1ccsc1Br)C[C@H]1CC1(C)C ZINC001233481593 1132628125 /nfs/dbraw/zinc/62/81/25/1132628125.db2.gz WJGHICRTRZFAAY-SNVBAGLBSA-N 0 1 288.254 3.989 20 0 CHADMN C[C@@H]1CCC[C@@]1(C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC001155070889 1132639648 /nfs/dbraw/zinc/63/96/48/1132639648.db2.gz ZNYYOWJWLORFLI-XLKFXECMSA-N 0 1 285.746 3.950 20 0 CHADMN c1cc(Nc2ccncc2Oc2ccccc2)co1 ZINC001173931677 1132644173 /nfs/dbraw/zinc/64/41/73/1132644173.db2.gz NDYXUCLHPPJAQM-UHFFFAOYSA-N 0 1 252.273 3.632 20 0 CHADMN COc1ccc2cnc(NC(=N)C(C)(C)C)cc2c1 ZINC001155180421 1132646459 /nfs/dbraw/zinc/64/64/59/1132646459.db2.gz XKJVGPXIAVEMDU-UHFFFAOYSA-N 0 1 257.337 3.679 20 0 CHADMN Clc1cccc2nc(CN3CC4CCC(CC4)C3)cn21 ZINC001233608403 1132647604 /nfs/dbraw/zinc/64/76/04/1132647604.db2.gz GUFWOJRNZSXODH-UHFFFAOYSA-N 0 1 289.810 3.610 20 0 CHADMN COC(=O)c1ccc(C2(Nc3cc(C)c(C)cn3)CC2)cc1 ZINC001155311458 1132651886 /nfs/dbraw/zinc/65/18/86/1132651886.db2.gz BFRKSKQSBBANCA-UHFFFAOYSA-N 0 1 296.370 3.586 20 0 CHADMN CCOc1ccnc(NCc2cn(C)c3ccccc23)c1 ZINC001155285987 1132652633 /nfs/dbraw/zinc/65/26/33/1132652633.db2.gz GQCYABRMTBLSHP-UHFFFAOYSA-N 0 1 281.359 3.584 20 0 CHADMN O=C(Nc1ccccc1C(F)F)c1cccc2cncn21 ZINC001155793129 1132664933 /nfs/dbraw/zinc/66/49/33/1132664933.db2.gz LTSHXMHECGTEAZ-UHFFFAOYSA-N 0 1 287.269 3.524 20 0 CHADMN Cc1cc(C)cc(CNc2nc3[nH]cnc3cc2Cl)c1 ZINC001155897753 1132669030 /nfs/dbraw/zinc/66/90/30/1132669030.db2.gz MPYKCBGLEHXBCZ-UHFFFAOYSA-N 0 1 286.766 3.840 20 0 CHADMN Cc1nc2cc(CNc3ccc(C)c(C)n3)ccc2o1 ZINC001156934435 1132715782 /nfs/dbraw/zinc/71/57/82/1132715782.db2.gz INDOCCHMBMDYES-UHFFFAOYSA-N 0 1 267.332 3.760 20 0 CHADMN Cc1nc2cc(CNc3cc(C)c(C)cn3)ccc2o1 ZINC001156933809 1132716311 /nfs/dbraw/zinc/71/63/11/1132716311.db2.gz MCPPMPLPSCEBLH-UHFFFAOYSA-N 0 1 267.332 3.760 20 0 CHADMN Cc1cccc2cc(C(=O)NCc3cnc(C(C)C)[nH]3)oc21 ZINC001157118621 1132721999 /nfs/dbraw/zinc/72/19/99/1132721999.db2.gz DPMLEONKHBBMIB-UHFFFAOYSA-N 0 1 297.358 3.518 20 0 CHADMN CC(C)Cc1ccc(C(=O)NCc2cnc(C(C)C)[nH]2)cc1 ZINC001157120375 1132722540 /nfs/dbraw/zinc/72/25/40/1132722540.db2.gz VYVOZVCVFOMNSH-UHFFFAOYSA-N 0 1 299.418 3.662 20 0 CHADMN Cc1cc([C@H]2CCCCN2C(=O)CC(C)(C)C2CC2)n[nH]1 ZINC001157199893 1132724446 /nfs/dbraw/zinc/72/44/46/1132724446.db2.gz KPKSZLKEJMRCSF-OAHLLOKOSA-N 0 1 289.423 3.598 20 0 CHADMN CC(C)Oc1cccc(Nc2ccc3nccn3c2)c1 ZINC001174112906 1132728038 /nfs/dbraw/zinc/72/80/38/1132728038.db2.gz UGJLISRBIUQDMS-UHFFFAOYSA-N 0 1 267.332 3.865 20 0 CHADMN COc1ccnc(N(C)[C@H](C)c2ccccc2Cl)c1 ZINC001157365873 1132728762 /nfs/dbraw/zinc/72/87/62/1132728762.db2.gz AQEBBSZSZWJDFJ-LLVKDONJSA-N 0 1 276.767 3.941 20 0 CHADMN COC1CCC(Nc2nc(C)cc3ccccc32)CC1 ZINC001157808181 1132744337 /nfs/dbraw/zinc/74/43/37/1132744337.db2.gz GVSIIOCZKYFULR-UHFFFAOYSA-N 0 1 270.376 3.913 20 0 CHADMN Clc1cc2nc[nH]c2nc1N[C@@H]1CCNc2ccccc21 ZINC001157835633 1132747025 /nfs/dbraw/zinc/74/70/25/1132747025.db2.gz SOPUSRFUKSDJGW-GFCCVEGCSA-N 0 1 299.765 3.580 20 0 CHADMN CC[C@@H]1CC[C@H](C)N(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC001157848805 1132748731 /nfs/dbraw/zinc/74/87/31/1132748731.db2.gz DIWZUSJZZILRHV-UONOGXRCSA-N 0 1 297.402 3.727 20 0 CHADMN COc1ccc(Nc2cc(OC)c(C)cn2)cc1Cl ZINC001174153207 1132751276 /nfs/dbraw/zinc/75/12/76/1132751276.db2.gz UKPVASXKZAKEOG-UHFFFAOYSA-N 0 1 278.739 3.804 20 0 CHADMN CC[C@H](C)C[C@@H](C)Nc1nc[nH]c2nc(=S)sc1-2 ZINC001157887478 1132753764 /nfs/dbraw/zinc/75/37/64/1132753764.db2.gz MPFPSYSLKNZNLJ-JGVFFNPUSA-N 0 1 282.438 3.612 20 0 CHADMN Cc1nc2c(nc(Cl)nc2NCCC2=CCCCC2)[nH]1 ZINC001157948924 1132757709 /nfs/dbraw/zinc/75/77/09/1132757709.db2.gz XQVQWHWBRPTIDX-UHFFFAOYSA-N 0 1 291.786 3.569 20 0 CHADMN C[C@@H]1C[C@H](Nc2nc(Cl)nc3[nH]cnc32)c2ccccc21 ZINC001158469511 1132778425 /nfs/dbraw/zinc/77/84/25/1132778425.db2.gz UARSACQBCJEBGM-KCJUWKMLSA-N 0 1 299.765 3.667 20 0 CHADMN Cc1cnc(N[C@H]2C[C@H](C)c3ccccc32)c(N)c1 ZINC001158474799 1132779790 /nfs/dbraw/zinc/77/97/90/1132779790.db2.gz UMKDKBAZRNRCAK-NHYWBVRUSA-N 0 1 253.349 3.633 20 0 CHADMN CCN(CC)c1ccc(Nc2ccc3nccn3c2)cc1 ZINC001174276357 1132784368 /nfs/dbraw/zinc/78/43/68/1132784368.db2.gz CJCLALGGQVIWGP-UHFFFAOYSA-N 0 1 280.375 3.924 20 0 CHADMN CCOC(=O)Nc1ccc(Nc2ccc3nccn3c2)cc1 ZINC001174277615 1132785235 /nfs/dbraw/zinc/78/52/35/1132785235.db2.gz JCEAAHPREWTWPH-UHFFFAOYSA-N 0 1 296.330 3.646 20 0 CHADMN Fc1cc(Cl)cc(Nc2ccc3nccn3c2)c1 ZINC001174276902 1132785685 /nfs/dbraw/zinc/78/56/85/1132785685.db2.gz WNJPCLRRLHHMLZ-UHFFFAOYSA-N 0 1 261.687 3.870 20 0 CHADMN Cc1nc(C(F)(F)F)ccc1Nc1ccc2nccn2c1 ZINC001174277539 1132785861 /nfs/dbraw/zinc/78/58/61/1132785861.db2.gz YWWLMFDOTJTGLU-UHFFFAOYSA-N 0 1 292.264 3.800 20 0 CHADMN Cc1c(F)cc(Nc2ccc3nccn3c2)cc1F ZINC001174278124 1132785885 /nfs/dbraw/zinc/78/58/85/1132785885.db2.gz QONJBWUIUKIZGA-UHFFFAOYSA-N 0 1 259.259 3.665 20 0 CHADMN Cc1cc(F)c(Nc2ccc3nccn3c2)cc1F ZINC001174277363 1132786008 /nfs/dbraw/zinc/78/60/08/1132786008.db2.gz COSCIYQQMTVFNZ-UHFFFAOYSA-N 0 1 259.259 3.665 20 0 CHADMN Nc1cc(Cl)c(Nc2ccc3nccn3c2)cc1Cl ZINC001174277413 1132786407 /nfs/dbraw/zinc/78/64/07/1132786407.db2.gz DPMXPSIRQATULB-UHFFFAOYSA-N 0 1 293.157 3.967 20 0 CHADMN c1cn2cc(Nc3ccc4sncc4c3)ccc2n1 ZINC001174278181 1132786577 /nfs/dbraw/zinc/78/65/77/1132786577.db2.gz RYHGKRZSIXOEIY-UHFFFAOYSA-N 0 1 266.329 3.688 20 0 CHADMN Cc1ncn(-c2cccc(Oc3ccccc3)c2)c1N ZINC001174313412 1132792038 /nfs/dbraw/zinc/79/20/38/1132792038.db2.gz DNKWKICAAZEBDW-UHFFFAOYSA-N 0 1 265.316 3.555 20 0 CHADMN CN(c1cc(Cl)nc2[nH]cnc21)[C@@H]1CCc2ccccc21 ZINC001158921601 1132798740 /nfs/dbraw/zinc/79/87/40/1132798740.db2.gz MKESNRDIGFDRBI-GFCCVEGCSA-N 0 1 298.777 3.735 20 0 CHADMN Fc1cc(F)c(Nc2cccc3[nH]ncc32)c(F)c1 ZINC001174343651 1132801178 /nfs/dbraw/zinc/80/11/78/1132801178.db2.gz DKENDPWTYFIZJB-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN Nc1cc(F)c(Cl)cc1Nc1cccc2[nH]ncc21 ZINC001174344410 1132801280 /nfs/dbraw/zinc/80/12/80/1132801280.db2.gz ZCLLEVYQJNTMJY-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN COc1cc(F)c(Nc2cccc3[nH]ncc32)c(F)c1 ZINC001174344132 1132801530 /nfs/dbraw/zinc/80/15/30/1132801530.db2.gz NVKHCIVYTJBPLL-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN Brc1nc(Nc2cccc3[nH]ncc32)cs1 ZINC001174343870 1132802612 /nfs/dbraw/zinc/80/26/12/1132802612.db2.gz RNVSPXLPTWWSEL-UHFFFAOYSA-N 0 1 295.165 3.526 20 0 CHADMN CCCOC(=O)c1ccc(Nc2cccc3[nH]ncc32)cc1 ZINC001174345181 1132803184 /nfs/dbraw/zinc/80/31/84/1132803184.db2.gz MLEWSIBPOZHZSL-UHFFFAOYSA-N 0 1 295.342 3.873 20 0 CHADMN c1ccc(CNc2ccc(Nc3ccncc3)cc2)cc1 ZINC001159104744 1132807100 /nfs/dbraw/zinc/80/71/00/1132807100.db2.gz IKJKHGSINWSWQV-UHFFFAOYSA-N 0 1 275.355 3.859 20 0 CHADMN Cc1cccc(C)c1Nc1cc([C@H]2CCCCN2)no1 ZINC001159307841 1132827230 /nfs/dbraw/zinc/82/72/30/1132827230.db2.gz FHXSBHFOPGSPGF-CYBMUJFWSA-N 0 1 271.364 3.850 20 0 CHADMN Cc1ccc(Nc2cc([C@H]3CCCCN3)no2)cc1C ZINC001159309583 1132828400 /nfs/dbraw/zinc/82/84/00/1132828400.db2.gz VTXYKLQGKBCGDI-CQSZACIVSA-N 0 1 271.364 3.850 20 0 CHADMN Oc1cc(Cl)cc(Nc2cc([C@@H]3CCCCN3)no2)c1 ZINC001159313762 1132828984 /nfs/dbraw/zinc/82/89/84/1132828984.db2.gz TYFGFURLVSMVCZ-LBPRGKRZSA-N 0 1 293.754 3.592 20 0 CHADMN Cc1cc(Nc2cc([C@@H]3CCCCN3)no2)c(C)s1 ZINC001159309631 1132829329 /nfs/dbraw/zinc/82/93/29/1132829329.db2.gz WYAXWVDTOJZCEE-NSHDSACASA-N 0 1 277.393 3.911 20 0 CHADMN Cn1cc(Nc2cc([C@@H]3CCCCN3)no2)c2ccccc21 ZINC001159313502 1132829412 /nfs/dbraw/zinc/82/94/12/1132829412.db2.gz PTTVUUOONQDQIL-ZDUSSCGKSA-N 0 1 296.374 3.725 20 0 CHADMN c1cc2cccc(Nc3cc([C@H]4CCCCN4)no3)c2o1 ZINC001159311853 1132829759 /nfs/dbraw/zinc/82/97/59/1132829759.db2.gz QEMDBGJBYXTVAN-GFCCVEGCSA-N 0 1 283.331 3.979 20 0 CHADMN COc1ccc2c(c1)C[C@H](Nc1cc(C)c(C)cn1)CC2 ZINC001159360667 1132833400 /nfs/dbraw/zinc/83/34/00/1132833400.db2.gz MXFZRJHSVSQUCY-MRXNPFEDSA-N 0 1 282.387 3.676 20 0 CHADMN [O-]c1cc(F)cc(F)c1Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001159490344 1132855093 /nfs/dbraw/zinc/85/50/93/1132855093.db2.gz NXLYEIWFRWCHMV-CQSZACIVSA-N 0 1 290.313 3.839 20 0 CHADMN Fc1ccc(Nc2ccc3c[nH]nc3c2)c(F)c1F ZINC001174500098 1132857095 /nfs/dbraw/zinc/85/70/95/1132857095.db2.gz KAQMSRJSFQPVBF-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN COc1cc(Nc2cccc(N3CCCC3)c2)ncc1C ZINC001174488895 1132861502 /nfs/dbraw/zinc/86/15/02/1132861502.db2.gz ZCMXJLCRBVCNBO-UHFFFAOYSA-N 0 1 283.375 3.742 20 0 CHADMN COc1cc(C)ccc1Nc1ccc2c[nH]nc2c1 ZINC001174500299 1132862913 /nfs/dbraw/zinc/86/29/13/1132862913.db2.gz PAIZDMDWTHGGOM-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN FC(F)(F)Oc1ncccc1Nc1ccc2c[nH]nc2c1 ZINC001174498911 1132864652 /nfs/dbraw/zinc/86/46/52/1132864652.db2.gz LXYISVHOWWOKCP-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN CSc1ncc(Nc2cccc3[nH]ncc32)cc1C ZINC001159574713 1132864930 /nfs/dbraw/zinc/86/49/30/1132864930.db2.gz KSSXNSSSNGEUCD-UHFFFAOYSA-N 0 1 270.361 3.732 20 0 CHADMN COc1cc(C)c(Nc2cccc3[nH]ncc32)cc1C ZINC001159574418 1132865320 /nfs/dbraw/zinc/86/53/20/1132865320.db2.gz QUKDKVWXGMEJRV-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1cc(OC(C)C)ncc1Nc1cccc2[nH]ncc21 ZINC001159574322 1132865735 /nfs/dbraw/zinc/86/57/35/1132865735.db2.gz BTEWTGYFRFIVEI-UHFFFAOYSA-N 0 1 282.347 3.797 20 0 CHADMN c1n[nH]c2cc(Nc3csc(-c4ccncc4)n3)ccc12 ZINC001174499535 1132866526 /nfs/dbraw/zinc/86/65/26/1132866526.db2.gz YONBDIQPEXLDLT-UHFFFAOYSA-N 0 1 293.355 3.825 20 0 CHADMN CCOc1ccc(F)c(F)c1Nc1ccc2c[nH]nc2c1 ZINC001159661609 1132885269 /nfs/dbraw/zinc/88/52/69/1132885269.db2.gz BUVJMSBJGPYVFX-UHFFFAOYSA-N 0 1 289.285 3.983 20 0 CHADMN Nc1cc(Nc2ccc3c[nH]nc3c2)cc(C(F)(F)F)c1 ZINC001174500050 1132885661 /nfs/dbraw/zinc/88/56/61/1132885661.db2.gz IOMKEEUTTSOTTO-UHFFFAOYSA-N 0 1 292.264 3.908 20 0 CHADMN Cc1cccc2ncc(Nc3ccc(N4CCCC4)cc3)n21 ZINC001174527210 1132888167 /nfs/dbraw/zinc/88/81/67/1132888167.db2.gz VFPKWOKJZSWEGV-UHFFFAOYSA-N 0 1 292.386 3.987 20 0 CHADMN C[C@@H]1CCc2cc(N)ccc2N1c1ccc2c[nH]nc2c1 ZINC001174500543 1132901743 /nfs/dbraw/zinc/90/17/43/1132901743.db2.gz RGKJZNRQZRWRLA-LLVKDONJSA-N 0 1 278.359 3.618 20 0 CHADMN COc1c(Cl)cccc1Nc1ccc2c[nH]nc2c1 ZINC001174500791 1132902440 /nfs/dbraw/zinc/90/24/40/1132902440.db2.gz YSFWWLJANFCDSG-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN c1cnn(Cc2cccc(Nc3ccc4c[nH]nc4c3)c2)c1 ZINC001174500555 1132903037 /nfs/dbraw/zinc/90/30/37/1132903037.db2.gz RPOKLOCOSIVINK-UHFFFAOYSA-N 0 1 289.342 3.551 20 0 CHADMN COc1ccc(Nc2ccc3c[nH]nc3c2)c(Cl)c1 ZINC001174500927 1132903119 /nfs/dbraw/zinc/90/31/19/1132903119.db2.gz BTHKBKCBCDGFIE-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN Nc1cc(F)cc(Cl)c1Nc1ccc2c[nH]nc2c1 ZINC001174501171 1132903396 /nfs/dbraw/zinc/90/33/96/1132903396.db2.gz XZZFVHSIZHJAST-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN CCOc1ccc(Nc2ccc3c[nH]nc3c2)cc1 ZINC001174501513 1132903510 /nfs/dbraw/zinc/90/35/10/1132903510.db2.gz WXJFSPGNQOMXHA-UHFFFAOYSA-N 0 1 253.305 3.705 20 0 CHADMN COc1cc(OC)cc([C@H](C)Nc2ccc(C)c(C)n2)c1 ZINC001159811705 1132911859 /nfs/dbraw/zinc/91/18/59/1132911859.db2.gz ISAYWESRARWARY-ZDUSSCGKSA-N 0 1 286.375 3.889 20 0 CHADMN Cc1cnc(NCCc2ccccc2C(F)(F)F)c(N)c1 ZINC001159898111 1132920509 /nfs/dbraw/zinc/92/05/09/1132920509.db2.gz MMGJFMZDLLNCJU-UHFFFAOYSA-N 0 1 295.308 3.646 20 0 CHADMN CCc1ccc(CN2CCc3ccc(C)cc3C2)o1 ZINC001204389048 1132921857 /nfs/dbraw/zinc/92/18/57/1132921857.db2.gz HXYOAXYCQGUJPI-UHFFFAOYSA-N 0 1 255.361 3.709 20 0 CHADMN C[C@H]1CCC[C@H](C)N1C(=O)c1cc2c(Cl)[nH]ccc-2n1 ZINC001174556336 1132922365 /nfs/dbraw/zinc/92/23/65/1132922365.db2.gz RWIGYSRSSUGEED-UWVGGRQHSA-N 0 1 291.782 3.619 20 0 CHADMN COc1cc(Nc2ccc3c[nH+]ccc3c2)ccc1C(=O)[O-] ZINC001174684631 1132945818 /nfs/dbraw/zinc/94/58/18/1132945818.db2.gz BVEOSXKSSSYVLD-UHFFFAOYSA-N 0 1 294.310 3.685 20 0 CHADMN COc1cc(F)c(Nc2ccc3nc[nH]c3c2)cc1F ZINC001160224746 1132949132 /nfs/dbraw/zinc/94/91/32/1132949132.db2.gz XKHNCVWYDSBDID-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN O=c1cc(Nc2ccc(C(F)F)cc2)nc(Cl)[nH]1 ZINC001174713989 1132961797 /nfs/dbraw/zinc/96/17/97/1132961797.db2.gz KZFZLWXWYGPMGW-UHFFFAOYSA-N 0 1 271.654 3.517 20 0 CHADMN Cc1cc(Nc2ccc(O)c(F)c2)c2ccccc2n1 ZINC001174733009 1132967688 /nfs/dbraw/zinc/96/76/88/1132967688.db2.gz LGZSYAIHINSZLL-UHFFFAOYSA-N 0 1 268.291 3.553 20 0 CHADMN Cc1cc2ccccc2c(N[C@@](C)(CO)c2ccccc2)n1 ZINC001160434555 1132969676 /nfs/dbraw/zinc/96/96/76/1132969676.db2.gz JBLAVMIIZOHBOE-IBGZPJMESA-N 0 1 292.382 3.863 20 0 CHADMN Cc1cnc(N[C@@H](CC(C)C)c2ccccn2)c(N)c1 ZINC001160486328 1132972613 /nfs/dbraw/zinc/97/26/13/1132972613.db2.gz OQNUGDCZTRQBHZ-HNNXBMFYSA-N 0 1 270.380 3.567 20 0 CHADMN COC1CCC(CCNc2ccc3c(n2)CCC3)CC1 ZINC001160642645 1132977347 /nfs/dbraw/zinc/97/73/47/1132977347.db2.gz VBSAIDQUXOJJEB-UHFFFAOYSA-N 0 1 274.408 3.578 20 0 CHADMN CC[C@@H](C)C1CCC(Nc2ncc3nc(C)[nH]c3n2)CC1 ZINC001160667253 1132977367 /nfs/dbraw/zinc/97/73/67/1132977367.db2.gz JNIQOVWCQVHCNV-QFWMXSHPSA-N 0 1 287.411 3.630 20 0 CHADMN CCOc1ccnc(NCc2ccc3onc(C)c3c2)c1 ZINC001160865391 1132984930 /nfs/dbraw/zinc/98/49/30/1132984930.db2.gz XGLKZICFHZLJRQ-UHFFFAOYSA-N 0 1 283.331 3.542 20 0 CHADMN CCOc1ccnc(NCc2nccc(Cl)c2Cl)c1 ZINC001160931362 1132987408 /nfs/dbraw/zinc/98/74/08/1132987408.db2.gz YSYYZMNXYHWYAX-UHFFFAOYSA-N 0 1 298.173 3.794 20 0 CHADMN Cc1cnc(N[C@H](C)c2ccc3c(c2)OCO3)c(C)c1 ZINC001161514595 1133004280 /nfs/dbraw/zinc/00/42/80/1133004280.db2.gz GQWHJAFQSLHUOW-GFCCVEGCSA-N 0 1 270.332 3.600 20 0 CHADMN C[C@H](CCc1ccccc1)Nc1cccc(CN(C)C)n1 ZINC001161613145 1133008437 /nfs/dbraw/zinc/00/84/37/1133008437.db2.gz SBDYDYNYZIPMPK-OAHLLOKOSA-N 0 1 283.419 3.576 20 0 CHADMN Cc1nc2cncc(N[C@H](C)CCc3ccccc3)c2[nH]1 ZINC001161615362 1133009100 /nfs/dbraw/zinc/00/91/00/1133009100.db2.gz DRXZMTPJEWJLIZ-GFCCVEGCSA-N 0 1 280.375 3.700 20 0 CHADMN C[C@@H](CCc1ccccc1)Nc1cccn2cncc12 ZINC001161616136 1133009634 /nfs/dbraw/zinc/00/96/34/1133009634.db2.gz NNSZSWKJTWMXRN-AWEZNQCLSA-N 0 1 265.360 3.768 20 0 CHADMN Fc1cncc([C@H](Nc2ccc3c(n2)CCC3)C2CC2)c1 ZINC001161810717 1133030248 /nfs/dbraw/zinc/03/02/48/1133030248.db2.gz BAKDPMMNPBVKCU-QGZVFWFLSA-N 0 1 283.350 3.668 20 0 CHADMN Cc1cnc(N[C@H](c2cncc(F)c2)C2CC2)cc1C ZINC001161817735 1133031417 /nfs/dbraw/zinc/03/14/17/1133031417.db2.gz GFEUHEJXHXKRJY-INIZCTEOSA-N 0 1 271.339 3.796 20 0 CHADMN CC(C)(CC1CCC1)Nc1nc[nH]c2nc(=S)sc1-2 ZINC001161846535 1133035001 /nfs/dbraw/zinc/03/50/01/1133035001.db2.gz HXJIHIAJHMDBGL-UHFFFAOYSA-N 0 1 294.449 3.756 20 0 CHADMN c1cc(NC2(CC3CCC3)CCOCC2)nc2c1CCC2 ZINC001161919832 1133039140 /nfs/dbraw/zinc/03/91/40/1133039140.db2.gz ACSGPDDMJUDARD-UHFFFAOYSA-N 0 1 286.419 3.722 20 0 CHADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)[C@@H]1CCC[C@H](C)C1 ZINC001161934268 1133040946 /nfs/dbraw/zinc/04/09/46/1133040946.db2.gz VXQOTHWBQWZTCE-RWMBFGLXSA-N 0 1 285.391 3.508 20 0 CHADMN CC(C)(CNc1nc[nH]c2nc(=S)sc1-2)CC1CC1 ZINC001162125440 1133052730 /nfs/dbraw/zinc/05/27/30/1133052730.db2.gz FCUPJACXLAHUJG-UHFFFAOYSA-N 0 1 294.449 3.613 20 0 CHADMN Cc1cc(N(C)C)ncc1NCc1ccc2c(ccn2C)c1 ZINC001162169645 1133056662 /nfs/dbraw/zinc/05/66/62/1133056662.db2.gz YMNRHBZHIKCSCV-UHFFFAOYSA-N 0 1 294.402 3.560 20 0 CHADMN CC(C)(Cc1cccnc1)Nc1ccc2c(n1)CCCC2 ZINC001162238892 1133062973 /nfs/dbraw/zinc/06/29/73/1133062973.db2.gz JDHPLHJBLJMCIY-UHFFFAOYSA-N 0 1 281.403 3.789 20 0 CHADMN Cc1cc2ccccc2c(N[C@@H]2C[C@]23CCCOC3)n1 ZINC001162378276 1133073839 /nfs/dbraw/zinc/07/38/39/1133073839.db2.gz UEGJIPGOSAVNOT-WBVHZDCISA-N 0 1 268.360 3.524 20 0 CHADMN CC[C@@H](Nc1cc(OC)ccn1)c1ccc(F)c(F)c1 ZINC001162463628 1133080082 /nfs/dbraw/zinc/08/00/82/1133080082.db2.gz UBYBCPZTZRADJT-CQSZACIVSA-N 0 1 278.302 3.932 20 0 CHADMN F[C@@H]1CCCC[C@H]1Nc1cc(OCC2CC2)ccn1 ZINC001162508746 1133082555 /nfs/dbraw/zinc/08/25/55/1133082555.db2.gz QIDAROLVNMBYGL-ZIAGYGMSSA-N 0 1 264.344 3.563 20 0 CHADMN Cc1ccnc(NC[C@H]2CCCc3ccccc32)c1 ZINC001162551362 1133091117 /nfs/dbraw/zinc/09/11/17/1133091117.db2.gz HVZJJRCXWYQIII-OAHLLOKOSA-N 0 1 252.361 3.922 20 0 CHADMN Cc1cnc(NC[C@H]2CCCc3ccccc32)c(N)c1 ZINC001162555193 1133091571 /nfs/dbraw/zinc/09/15/71/1133091571.db2.gz OASUKTNKOIDHSE-CQSZACIVSA-N 0 1 267.376 3.504 20 0 CHADMN Cc1cc2cc[nH]c2c(NC[C@@H]2CCC(F)(F)C2)n1 ZINC001162642939 1133097883 /nfs/dbraw/zinc/09/78/83/1133097883.db2.gz YZMHMENDEJIIQN-SNVBAGLBSA-N 0 1 265.307 3.719 20 0 CHADMN Cc1cnc(NC2(Cc3ccc(O)cc3)CC2)cc1C ZINC001162735548 1133107111 /nfs/dbraw/zinc/10/71/11/1133107111.db2.gz DANILFHETVGAKA-UHFFFAOYSA-N 0 1 268.360 3.591 20 0 CHADMN CCOc1ccnc(N[C@H]2CCc3c2c(F)ccc3F)c1 ZINC001162932349 1133122822 /nfs/dbraw/zinc/12/28/22/1133122822.db2.gz OXKQHNUZHLOMQA-AWEZNQCLSA-N 0 1 290.313 3.858 20 0 CHADMN c1cc2c(cn1)[C@H](Nc1ccc3c(n1)CCCC3)CCC2 ZINC001163168232 1133133279 /nfs/dbraw/zinc/13/32/79/1133133279.db2.gz ZPJLEEURSBSQMW-QGZVFWFLSA-N 0 1 279.387 3.845 20 0 CHADMN CCOc1ccnc(NCc2cccc(C(F)(F)F)n2)c1 ZINC001163181315 1133134096 /nfs/dbraw/zinc/13/40/96/1133134096.db2.gz ROMNHXRQKLPMHK-UHFFFAOYSA-N 0 1 297.280 3.506 20 0 CHADMN COc1c(F)cccc1[C@H](C)Nc1ccc2c(n1)CCC2 ZINC001163335230 1133142839 /nfs/dbraw/zinc/14/28/39/1133142839.db2.gz MWOIZHIOMCPOMF-NSHDSACASA-N 0 1 286.350 3.891 20 0 CHADMN COc1cnccc1[C@H](Nc1ccc(C)c(C)n1)C1CC1 ZINC001163398976 1133148168 /nfs/dbraw/zinc/14/81/68/1133148168.db2.gz ZWCCYCHBSBBETB-QGZVFWFLSA-N 0 1 283.375 3.665 20 0 CHADMN Cc1nc2cncc(NC(C)(C)Cc3ccc(F)cc3)c2[nH]1 ZINC001163853965 1133180002 /nfs/dbraw/zinc/18/00/02/1133180002.db2.gz HGNAGCIICDDYMB-UHFFFAOYSA-N 0 1 298.365 3.839 20 0 CHADMN Cc1cc2nccn2cc1NCc1cc2ccccc2n1C ZINC001163946827 1133186245 /nfs/dbraw/zinc/18/62/45/1133186245.db2.gz PLRYFXBXBODBKB-UHFFFAOYSA-N 0 1 290.370 3.747 20 0 CHADMN Cc1ccccc1OCCCNc1cccn2cncc12 ZINC001163975288 1133190187 /nfs/dbraw/zinc/19/01/87/1133190187.db2.gz OOYGQFXOKWEBNS-UHFFFAOYSA-N 0 1 281.359 3.524 20 0 CHADMN Cc1cc2ccccc2c(N2CC[C@@H](C)[C@H](F)C2)n1 ZINC001164178068 1133203536 /nfs/dbraw/zinc/20/35/36/1133203536.db2.gz RMEFJPZAMBMCJT-IAQYHMDHSA-N 0 1 258.340 3.728 20 0 CHADMN Cc1cc2nccn2cc1NCCSCc1ccco1 ZINC001164224292 1133208094 /nfs/dbraw/zinc/20/80/94/1133208094.db2.gz MKCPZNSTXLJUDU-UHFFFAOYSA-N 0 1 287.388 3.581 20 0 CHADMN Cc1cn[nH]c1CSCc1ccc(Br)cc1 ZINC001164535037 1133222579 /nfs/dbraw/zinc/22/25/79/1133222579.db2.gz MSHLMESCVFFITF-UHFFFAOYSA-N 0 1 297.221 3.914 20 0 CHADMN Cc1nc([C@H](C)S[C@H](C)c2ccccc2F)n[nH]1 ZINC001165593577 1133246224 /nfs/dbraw/zinc/24/62/24/1133246224.db2.gz MOSXGZCWURILNP-BDAKNGLRSA-N 0 1 265.357 3.808 20 0 CHADMN Cc1ccc(CSC[C@H](C)CN2CCOCC2)cc1C ZINC001165849914 1133253587 /nfs/dbraw/zinc/25/35/87/1133253587.db2.gz CGRWDFBQDGCOFE-CQSZACIVSA-N 0 1 293.476 3.505 20 0 CHADMN Cc1c2nc[nH]c2ccc1NC/C=C/c1ccccc1 ZINC001166097431 1133259410 /nfs/dbraw/zinc/25/94/10/1133259410.db2.gz SWOWXACZFKRULS-VMPITWQZSA-N 0 1 263.344 3.997 20 0 CHADMN FC(F)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC001203382708 1133265055 /nfs/dbraw/zinc/26/50/55/1133265055.db2.gz CWQIGEYSLHKJLZ-LLVKDONJSA-N 0 1 259.727 3.817 20 0 CHADMN CCC(CC)CN(CC)[C@H](C(=O)OC)c1ccccc1 ZINC001166997752 1133298019 /nfs/dbraw/zinc/29/80/19/1133298019.db2.gz UIWRNZKSNXIOSX-INIZCTEOSA-N 0 1 277.408 3.659 20 0 CHADMN CCCc1ccc(CN2C[C@@H](C)OC[C@@H]2CC)cc1 ZINC001167017123 1133299421 /nfs/dbraw/zinc/29/94/21/1133299421.db2.gz WKFFLPVCAYWZDH-PBHICJAKSA-N 0 1 261.409 3.638 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@@H]2c2cccs2)[nH]1 ZINC001203244118 1133307974 /nfs/dbraw/zinc/30/79/74/1133307974.db2.gz RHEPYOSCHDELIZ-CYBMUJFWSA-N 0 1 275.421 3.679 20 0 CHADMN CCCCOC(=O)[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001203388268 1133321235 /nfs/dbraw/zinc/32/12/35/1133321235.db2.gz RFFMZSWWKVGJFG-AWEZNQCLSA-N 0 1 295.810 3.505 20 0 CHADMN CCCN(CCOC)Cc1ccc(Cl)cc1Cl ZINC001203388188 1133321281 /nfs/dbraw/zinc/32/12/81/1133321281.db2.gz MTNHCRDNSNHUAW-UHFFFAOYSA-N 0 1 276.207 3.852 20 0 CHADMN Cc1ccc2[nH]c(NCc3nc4cc(F)ccc4o3)nc2c1 ZINC001203478760 1133332499 /nfs/dbraw/zinc/33/24/99/1133332499.db2.gz HWHRANMDMNPGRY-UHFFFAOYSA-N 0 1 296.305 3.764 20 0 CHADMN COc1ccc(OC)c(CN2CCc3ccc(C)cc3C2)c1 ZINC001203518968 1133335505 /nfs/dbraw/zinc/33/55/05/1133335505.db2.gz VXISOHRTVIDQHF-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(CCO)cc1 ZINC001203525674 1133337137 /nfs/dbraw/zinc/33/71/37/1133337137.db2.gz AEGXROUYLSHCPX-UHFFFAOYSA-N 0 1 294.354 3.522 20 0 CHADMN CCOc1ccccc1CN1CCCC[C@](C)(F)C1 ZINC001203534994 1133338237 /nfs/dbraw/zinc/33/82/37/1133338237.db2.gz KYQRNRQYQFXEOF-INIZCTEOSA-N 0 1 265.372 3.799 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc3ccccn23)c(C)c1 ZINC001203729052 1133360002 /nfs/dbraw/zinc/36/00/02/1133360002.db2.gz FZUXLYWBUPDCJJ-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN Cc1cc(C)c(CN2CC[C@@](C)(F)[C@@H](F)C2)c(C)c1 ZINC001203742787 1133363432 /nfs/dbraw/zinc/36/34/32/1133363432.db2.gz NESLWIUBBIXAMM-JKSUJKDBSA-N 0 1 267.363 3.884 20 0 CHADMN Cl/C=C/CNCc1cccc(Oc2ccccn2)c1 ZINC001203960847 1133389935 /nfs/dbraw/zinc/38/99/35/1133389935.db2.gz KUTZEBYZTHSFKV-XBXARRHUSA-N 0 1 274.751 3.716 20 0 CHADMN C[C@H]1CN(Cc2ccc[nH]2)CCc2ccc(Cl)cc21 ZINC001204011671 1133400088 /nfs/dbraw/zinc/40/00/88/1133400088.db2.gz ZKTHQUSDRCVDCC-LBPRGKRZSA-N 0 1 274.795 3.830 20 0 CHADMN CN(CCC(=O)c1cccs1)Cc1ccsc1 ZINC001204042471 1133402796 /nfs/dbraw/zinc/40/27/96/1133402796.db2.gz GKDNYUYUCHXEIJ-UHFFFAOYSA-N 0 1 265.403 3.514 20 0 CHADMN Fc1ccccc1[C@H]1CCCN1Cc1ccc2c(c1)OCO2 ZINC001204052010 1133404139 /nfs/dbraw/zinc/40/41/39/1133404139.db2.gz CHTNXAAKYDRUMV-MRXNPFEDSA-N 0 1 299.345 3.892 20 0 CHADMN Cc1ccc(CN(C)Cc2ccnc3ccccc23)cn1 ZINC001204089492 1133406146 /nfs/dbraw/zinc/40/61/46/1133406146.db2.gz DMBUEZDLIIHVPB-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN CSc1ccc(CN2CC[C@H](F)C(F)(F)CC2)cc1 ZINC001204139624 1133407481 /nfs/dbraw/zinc/40/74/81/1133407481.db2.gz NBAJWCZIGGMSAJ-ZDUSSCGKSA-N 0 1 289.366 3.978 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2F)cc1 ZINC001204155289 1133411529 /nfs/dbraw/zinc/41/15/29/1133411529.db2.gz YVATWOAUJIWGPX-QGZVFWFLSA-N 0 1 299.345 3.861 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1ccc2c(n1)CCC2 ZINC001204163253 1133412577 /nfs/dbraw/zinc/41/25/77/1133412577.db2.gz QMFSNSOIKXEPNV-CQSZACIVSA-N 0 1 278.399 3.690 20 0 CHADMN CC(C)c1ccc(CN2CC3(C2)C[C@@H](F)CS3)cc1 ZINC001204168133 1133413501 /nfs/dbraw/zinc/41/35/01/1133413501.db2.gz ILJJYQCFWZYZEE-OAHLLOKOSA-N 0 1 279.424 3.839 20 0 CHADMN CCc1ccc(CN2CC3(C2)CC(F)(F)CS3)cc1 ZINC001204177811 1133414995 /nfs/dbraw/zinc/41/49/95/1133414995.db2.gz FIMIJFLEDAJRBT-UHFFFAOYSA-N 0 1 283.387 3.576 20 0 CHADMN CCOc1cc(C[N@H+]2CCCC[C@](C)(F)C2)ccc1OC ZINC001204184703 1133416744 /nfs/dbraw/zinc/41/67/44/1133416744.db2.gz MRNFWTRLCUPKKT-KRWDZBQOSA-N 0 1 295.398 3.808 20 0 CHADMN CCOc1cc(CN2CCCC[C@](C)(F)C2)ccc1OC ZINC001204184703 1133416747 /nfs/dbraw/zinc/41/67/47/1133416747.db2.gz MRNFWTRLCUPKKT-KRWDZBQOSA-N 0 1 295.398 3.808 20 0 CHADMN COc1cccc(CCN(C)Cc2cccc(F)c2F)c1 ZINC001204197768 1133418074 /nfs/dbraw/zinc/41/80/74/1133418074.db2.gz FAXHYDQAXKSKPA-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN CCOC[C@@]12CCC[C@@H]1CN(Cc1c(F)cccc1F)C2 ZINC001204200570 1133418468 /nfs/dbraw/zinc/41/84/68/1133418468.db2.gz NZRPLVWPKDXHNZ-DYVFJYSZSA-N 0 1 295.373 3.603 20 0 CHADMN C[C@@H]1CCN(Cc2cc(F)cc(F)c2)CCC1(F)F ZINC001204227579 1133421843 /nfs/dbraw/zinc/42/18/43/1133421843.db2.gz LXXFLZFMORXPBW-SNVBAGLBSA-N 0 1 275.289 3.832 20 0 CHADMN Fc1cc(F)cc(CN2CC[C@H](Oc3ccccc3)C2)c1 ZINC001204234521 1133422360 /nfs/dbraw/zinc/42/23/60/1133422360.db2.gz POKCHWMJRGXCPA-KRWDZBQOSA-N 0 1 289.325 3.618 20 0 CHADMN Cc1ccc2nc(N)n(-c3c4cc[nH]c4ccc3F)c2c1 ZINC001204258342 1133425548 /nfs/dbraw/zinc/42/55/48/1133425548.db2.gz CQZSGQMJUCGONV-UHFFFAOYSA-N 0 1 280.306 3.537 20 0 CHADMN COc1ccc(CN(C)Cc2ccccc2)c(OC)c1C ZINC001204254271 1133426117 /nfs/dbraw/zinc/42/61/17/1133426117.db2.gz XFLJYDRKXYZFBG-UHFFFAOYSA-N 0 1 285.387 3.644 20 0 CHADMN COc1ccc(CN2CC[C@H]2c2ccccc2)c(OC)c1C ZINC001204264617 1133427306 /nfs/dbraw/zinc/42/73/06/1133427306.db2.gz UJABVBWULXWLOZ-KRWDZBQOSA-N 0 1 297.398 3.959 20 0 CHADMN Cc1[nH]c2ccccc2c1CN(C)Cc1ccccn1 ZINC001204287284 1133428452 /nfs/dbraw/zinc/42/84/52/1133428452.db2.gz ZKLDLXMPKDZCDX-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN CCCCCCOc1ccccc1CN(C)[C@H]1CCOC1 ZINC001204294221 1133431187 /nfs/dbraw/zinc/43/11/87/1133431187.db2.gz PBSUOUSXNZVFHS-KRWDZBQOSA-N 0 1 291.435 3.866 20 0 CHADMN CC[C@@H]1CCN(Cc2cc(Br)ccc2F)C1 ZINC001204499880 1133454592 /nfs/dbraw/zinc/45/45/92/1133454592.db2.gz ZQKJKGJPYAIUJP-SNVBAGLBSA-N 0 1 286.188 3.820 20 0 CHADMN Cn1cc(C[N@@H+](C)Cc2cccs2)c2ccccc21 ZINC001204320732 1133437255 /nfs/dbraw/zinc/43/72/55/1133437255.db2.gz OPFGLERWZIUMFC-UHFFFAOYSA-N 0 1 270.401 3.872 20 0 CHADMN CCOc1ccc(CN2CC(c3ccccc3)C2)cc1OC ZINC001204360454 1133441526 /nfs/dbraw/zinc/44/15/26/1133441526.db2.gz RTIHOCPWSUJSTI-UHFFFAOYSA-N 0 1 297.398 3.693 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3ccccc3OC(F)(F)F)C[C@@H]21 ZINC001204429505 1133445972 /nfs/dbraw/zinc/44/59/72/1133445972.db2.gz XCEFELNFEDGNRA-TXEJJXNPSA-N 0 1 285.309 3.673 20 0 CHADMN Fc1ccc(CN2CCC3(CCCO3)CC2)c(Cl)c1 ZINC001204436718 1133447165 /nfs/dbraw/zinc/44/71/65/1133447165.db2.gz KRRVDQZFAPOHPL-UHFFFAOYSA-N 0 1 283.774 3.624 20 0 CHADMN COCC[C@H]1CCCCN1Cc1ccc(F)cc1Cl ZINC001204438539 1133447750 /nfs/dbraw/zinc/44/77/50/1133447750.db2.gz URIOVEHOFYDNPE-CQSZACIVSA-N 0 1 285.790 3.870 20 0 CHADMN CCN(Cc1c(F)cccc1C(F)(F)F)C1CC1 ZINC001204457333 1133450198 /nfs/dbraw/zinc/45/01/98/1133450198.db2.gz VEUBYPZXMGASCG-UHFFFAOYSA-N 0 1 261.262 3.829 20 0 CHADMN CC[N@@H+](CCc1ccccc1)Cc1ccc([O-])c(F)c1F ZINC001204480966 1133452584 /nfs/dbraw/zinc/45/25/84/1133452584.db2.gz YGZSEMMIAVTVTA-UHFFFAOYSA-N 0 1 291.341 3.735 20 0 CHADMN Cc1cccc(N2CCN(Cc3cccc(F)c3C)CC2)c1 ZINC001204506906 1133454947 /nfs/dbraw/zinc/45/49/47/1133454947.db2.gz OIDKWRMRVCGJPH-UHFFFAOYSA-N 0 1 298.405 3.765 20 0 CHADMN Cc1ccc(N2CCN(Cc3cccc(F)c3C)CC2)cc1 ZINC001204506911 1133455047 /nfs/dbraw/zinc/45/50/47/1133455047.db2.gz OJTDQXUNOMJPGU-UHFFFAOYSA-N 0 1 298.405 3.765 20 0 CHADMN C[C@]1(F)CCCCN(Cc2ccc3ccccc3n2)C1 ZINC001204500234 1133455311 /nfs/dbraw/zinc/45/53/11/1133455311.db2.gz WLPLGCCTWYNYGC-KRWDZBQOSA-N 0 1 272.367 3.949 20 0 CHADMN Cc1c(F)cccc1CN1CCC(C(F)(F)F)CC1 ZINC001204508276 1133455444 /nfs/dbraw/zinc/45/54/44/1133455444.db2.gz NILXFSAPKFQTFS-UHFFFAOYSA-N 0 1 275.289 3.908 20 0 CHADMN Cc1cc(CN2CCN(Cc3ccccc3)C[C@H]2C)oc1C ZINC001204532838 1133458954 /nfs/dbraw/zinc/45/89/54/1133458954.db2.gz GTIZKTUCZPGVNB-MRXNPFEDSA-N 0 1 298.430 3.603 20 0 CHADMN Cc1cccc(CN(CCO)[C@@H]2CCc3ccccc32)c1F ZINC001204809411 1133488172 /nfs/dbraw/zinc/48/81/72/1133488172.db2.gz YZTAQDILBZPRIV-GOSISDBHSA-N 0 1 299.389 3.616 20 0 CHADMN CCN(Cc1cccnc1)Cc1cccc(OC(F)F)c1 ZINC001204836607 1133491332 /nfs/dbraw/zinc/49/13/32/1133491332.db2.gz SRHHKDNHNUAVSQ-UHFFFAOYSA-N 0 1 292.329 3.705 20 0 CHADMN COc1ccc(CN2Cc3ccccc3[C@@H](C)C2)c(F)c1 ZINC001204900487 1133498022 /nfs/dbraw/zinc/49/80/22/1133498022.db2.gz YBSNIHMLMJTARB-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN c1ccc(N2CCN(Cc3cccc(C4CC4)c3)CC2)cc1 ZINC001205046109 1133520871 /nfs/dbraw/zinc/52/08/71/1133520871.db2.gz LNKSYZBWEGONDP-UHFFFAOYSA-N 0 1 292.426 3.886 20 0 CHADMN CCOc1cncc(CN(C)[C@H](C)c2ccc(C)cc2)c1 ZINC001205077140 1133524262 /nfs/dbraw/zinc/52/42/62/1133524262.db2.gz HSXCMIHXCDSRTJ-OAHLLOKOSA-N 0 1 284.403 3.982 20 0 CHADMN Oc1ccc(-c2cccc3nc[nH]c32)c(C(F)(F)F)c1 ZINC001205087568 1133526422 /nfs/dbraw/zinc/52/64/22/1133526422.db2.gz UOMFTVYPSSWBRW-UHFFFAOYSA-N 0 1 278.233 3.954 20 0 CHADMN Cc1cnc2c(c1)CN(Cc1cccc(C)c1C)CC2 ZINC001205096098 1133528500 /nfs/dbraw/zinc/52/85/00/1133528500.db2.gz UCDSJANIQIUXGQ-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN C[C@H]1CN(Cc2ccc(N)c(F)c2)Cc2ccccc21 ZINC001205164244 1133539454 /nfs/dbraw/zinc/53/94/54/1133539454.db2.gz BFLPRPIYWCMPMO-LBPRGKRZSA-N 0 1 270.351 3.527 20 0 CHADMN Cc1cc(CN2CC[C@@H](C(F)(F)F)C2)ccc1F ZINC001205187307 1133542663 /nfs/dbraw/zinc/54/26/63/1133542663.db2.gz XFRIKRUQKBFWTI-LLVKDONJSA-N 0 1 261.262 3.518 20 0 CHADMN CCC1(CC)C[N@@H+](Cc2cc(F)cc(OC)c2)CCS1 ZINC001205261627 1133551288 /nfs/dbraw/zinc/55/12/88/1133551288.db2.gz LKAYFFSIOXAFAO-UHFFFAOYSA-N 0 1 297.439 3.942 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2nc(-c3ccccc3)no2)C[C@H]1C ZINC001205298528 1133557130 /nfs/dbraw/zinc/55/71/30/1133557130.db2.gz DXHFMPIHHUKMOW-UMVBOHGHSA-N 0 1 285.391 3.651 20 0 CHADMN FC1(F)CC[C@@H]2CN(Cc3sccc3Cl)C[C@@H]21 ZINC001205319257 1133560202 /nfs/dbraw/zinc/56/02/02/1133560202.db2.gz BSPYLGNDAKAHCU-BDAKNGLRSA-N 0 1 277.767 3.879 20 0 CHADMN OCc1cc(-c2cccc3nc(C(F)(F)F)[nH]c32)cs1 ZINC001205323937 1133560955 /nfs/dbraw/zinc/56/09/55/1133560955.db2.gz SGSLAANKWMPODJ-UHFFFAOYSA-N 0 1 298.289 3.803 20 0 CHADMN Fc1ccc(-c2ccc(C3=NCCC3)cc2)c2c[nH]nc21 ZINC001205336872 1133563721 /nfs/dbraw/zinc/56/37/21/1133563721.db2.gz IDSOYLGGWFWLNE-UHFFFAOYSA-N 0 1 279.318 3.952 20 0 CHADMN FC(F)[C@@H]1CCCN(Cc2sccc2Cl)C1 ZINC001205339350 1133564206 /nfs/dbraw/zinc/56/42/06/1133564206.db2.gz HGERUXGIVRSGNV-MRVPVSSYSA-N 0 1 265.756 3.879 20 0 CHADMN COc1cccc(Cl)c1CNC[C@H]1CC1(Cl)Cl ZINC001205411446 1133573544 /nfs/dbraw/zinc/57/35/44/1133573544.db2.gz FAXIOKOCGSQFCW-MRVPVSSYSA-N 0 1 294.609 3.632 20 0 CHADMN Cc1ccc(SC[C@H](C)NCc2ncccc2F)cc1 ZINC001205438953 1133576855 /nfs/dbraw/zinc/57/68/55/1133576855.db2.gz WBKRXWOQPWUIFF-ZDUSSCGKSA-N 0 1 290.407 3.800 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H](C(=O)c3ccccc3)C2)c1 ZINC001205662155 1133599453 /nfs/dbraw/zinc/59/94/53/1133599453.db2.gz YRRIIBUUGQTOSM-INIZCTEOSA-N 0 1 297.373 3.839 20 0 CHADMN FC(F)COc1ccccc1CN1CC2(C1)CCCC2 ZINC001205706263 1133604992 /nfs/dbraw/zinc/60/49/92/1133604992.db2.gz CHGOINULDPGWLC-UHFFFAOYSA-N 0 1 281.346 3.707 20 0 CHADMN Fc1ccc(Cl)cc1CN1CCC2(CCCOC2)CC1 ZINC001206036222 1133646172 /nfs/dbraw/zinc/64/61/72/1133646172.db2.gz XXFNFUUVPZNLCE-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN CCCCOc1ccc(-c2cc(N)ccn2)c(F)c1 ZINC001206101784 1133657255 /nfs/dbraw/zinc/65/72/55/1133657255.db2.gz WOLJVSIPGTZBMV-UHFFFAOYSA-N 0 1 260.312 3.649 20 0 CHADMN CN(C)Cc1ccc(-c2cc(F)cc(N3CCCC3)c2)nc1 ZINC001206100196 1133657267 /nfs/dbraw/zinc/65/72/67/1133657267.db2.gz PEKLLVDZLOGKMU-UHFFFAOYSA-N 0 1 299.393 3.550 20 0 CHADMN Fc1cc(-c2ccc3cncn3c2)cc(N2CCCC2)c1 ZINC001206113585 1133659293 /nfs/dbraw/zinc/65/92/93/1133659293.db2.gz DTHIXLGCMGUXFE-UHFFFAOYSA-N 0 1 281.334 3.741 20 0 CHADMN Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cc1ccc(=O)[nH]c1 ZINC001206276778 1133681131 /nfs/dbraw/zinc/68/11/31/1133681131.db2.gz PIRKPSLNXBWEII-INIZCTEOSA-N 0 1 286.350 3.572 20 0 CHADMN CCc1cc(OC)ccc1CN1C[C@@H](CC)O[C@@H](CC)C1 ZINC001206351426 1133693744 /nfs/dbraw/zinc/69/37/44/1133693744.db2.gz VGGHGCQBKKAWNF-CALCHBBNSA-N 0 1 291.435 3.647 20 0 CHADMN COc1cnccc1CN(Cc1ccccc1)C1CCC1 ZINC001206493455 1133710281 /nfs/dbraw/zinc/71/02/81/1133710281.db2.gz BNDLNVLPJWOQFS-UHFFFAOYSA-N 0 1 282.387 3.645 20 0 CHADMN COc1cccnc1CN1CCCC[C@H]1c1ccccc1 ZINC001206610552 1133727529 /nfs/dbraw/zinc/72/75/29/1133727529.db2.gz KJLYVVDVGJTNJY-KRWDZBQOSA-N 0 1 282.387 3.817 20 0 CHADMN FC(F)(F)[C@@H](OCCN1CCCCC1)c1ccccc1 ZINC001206701197 1133734614 /nfs/dbraw/zinc/73/46/14/1133734614.db2.gz QBYWPODPUOKNKL-AWEZNQCLSA-N 0 1 287.325 3.793 20 0 CHADMN Cc1csc2c1ncnc2-c1cc(F)c(O)cc1F ZINC001206754924 1133742678 /nfs/dbraw/zinc/74/26/78/1133742678.db2.gz AZTUJTQLIZVOFQ-UHFFFAOYSA-N 0 1 278.283 3.651 20 0 CHADMN CC(C)Oc1ccc(-c2cc(F)c(O)cc2F)nc1 ZINC001206762272 1133743701 /nfs/dbraw/zinc/74/37/01/1133743701.db2.gz VDINRGZDXNOHJR-UHFFFAOYSA-N 0 1 265.259 3.520 20 0 CHADMN Oc1cc(F)c(-c2cc(-c3ccccc3)ncn2)cc1F ZINC001206768520 1133745456 /nfs/dbraw/zinc/74/54/56/1133745456.db2.gz XAGKSYRMCMDOEI-UHFFFAOYSA-N 0 1 284.265 3.794 20 0 CHADMN CCC[C@@H](CNCc1cncc(Cl)c1Cl)OCC ZINC001206799318 1133749520 /nfs/dbraw/zinc/74/95/20/1133749520.db2.gz DFMUWUWGIGZIOV-NSHDSACASA-N 0 1 291.222 3.683 20 0 CHADMN Fc1ccc(-c2cc(CN3CCCC34CC4)no2)cc1 ZINC001206834576 1133753206 /nfs/dbraw/zinc/75/32/06/1133753206.db2.gz POMXWMBVUCHCAW-UHFFFAOYSA-N 0 1 272.323 3.609 20 0 CHADMN COc1ccc(-c2cc(CN3CCC4(CCC4)C3)no2)cc1 ZINC001206829800 1133753483 /nfs/dbraw/zinc/75/34/83/1133753483.db2.gz OQHWBNONTFQRTJ-UHFFFAOYSA-N 0 1 298.386 3.726 20 0 CHADMN Fc1cncc(F)c1CN1CCCCCCCC1 ZINC001206860955 1133756643 /nfs/dbraw/zinc/75/66/43/1133756643.db2.gz CVCDILBQAHLJBW-UHFFFAOYSA-N 0 1 254.324 3.516 20 0 CHADMN Cc1ccnc(CN2CCC[C@@H](Sc3ccncc3)C2)c1 ZINC001206853838 1133757608 /nfs/dbraw/zinc/75/76/08/1133757608.db2.gz CORMSTRUSLTMPT-QGZVFWFLSA-N 0 1 299.443 3.542 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1cncc(F)c1 ZINC001207023286 1133759872 /nfs/dbraw/zinc/75/98/72/1133759872.db2.gz CTDWQWGKRZHOCG-INIZCTEOSA-N 0 1 258.340 3.804 20 0 CHADMN Fc1cncc(CN(Cc2ccccn2)C2CCCCC2)c1 ZINC001207024111 1133760439 /nfs/dbraw/zinc/76/04/39/1133760439.db2.gz ZSSMQCIDRSBLAK-UHFFFAOYSA-N 0 1 299.393 3.951 20 0 CHADMN Fc1ccc(CN2CCC(c3cccs3)CC2)nc1 ZINC001207041788 1133760853 /nfs/dbraw/zinc/76/08/53/1133760853.db2.gz JGAIHXGLTIKQME-UHFFFAOYSA-N 0 1 276.380 3.662 20 0 CHADMN Fc1cncc(CN(Cc2ccccc2)C2CCC2)c1 ZINC001207026115 1133761808 /nfs/dbraw/zinc/76/18/08/1133761808.db2.gz WNVFEUYABXIFBC-UHFFFAOYSA-N 0 1 270.351 3.775 20 0 CHADMN CCc1nccc(CN2CCc3ccccc3[C@H]2CC)n1 ZINC001207093402 1133766875 /nfs/dbraw/zinc/76/68/75/1133766875.db2.gz WCLXJOVOFDETTR-QGZVFWFLSA-N 0 1 281.403 3.548 20 0 CHADMN CCCCN(CCCC)Cc1ncc(F)cc1F ZINC001207097544 1133767204 /nfs/dbraw/zinc/76/72/04/1133767204.db2.gz SBEDGJYGCOEZDE-UHFFFAOYSA-N 0 1 256.340 3.762 20 0 CHADMN CCC[C@H]1CCCCN1Cc1ncc(F)cc1F ZINC001207098437 1133767671 /nfs/dbraw/zinc/76/76/71/1133767671.db2.gz RFGZANNPLPANQT-LBPRGKRZSA-N 0 1 254.324 3.514 20 0 CHADMN CCN(Cc1c(F)cccc1OC(F)F)C(C)C ZINC001207108975 1133767766 /nfs/dbraw/zinc/76/77/66/1133767766.db2.gz QZIBYTXYFZIJJG-UHFFFAOYSA-N 0 1 261.287 3.657 20 0 CHADMN CCn1ccnc1CN1CCC[C@@H](CCc2ccccc2)C1 ZINC001207148455 1133772306 /nfs/dbraw/zinc/77/23/06/1133772306.db2.gz UUMSWSSASJVTIO-SFHVURJKSA-N 0 1 297.446 3.748 20 0 CHADMN CC1=CC[C@H](CCN2CC3(C2)CCCCO3)C1(C)C ZINC001207268256 1133784094 /nfs/dbraw/zinc/78/40/94/1133784094.db2.gz LEJLYSQHZLPLGX-OAHLLOKOSA-N 0 1 263.425 3.624 20 0 CHADMN Cc1nc(Cl)c(CCN2CCCC2(C)C)c(Cl)n1 ZINC001207334430 1133791859 /nfs/dbraw/zinc/79/18/59/1133791859.db2.gz QONRTRZSLXQITB-UHFFFAOYSA-N 0 1 288.222 3.509 20 0 CHADMN C[C@]1(F)CCN(CC2CCC(F)(F)CC2)C[C@@H]1F ZINC001207342750 1133793861 /nfs/dbraw/zinc/79/38/61/1133793861.db2.gz NAJZMFWKZAIKBQ-RYUDHWBXSA-N 0 1 267.310 3.584 20 0 CHADMN F[C@H]1CCCCN(CCc2cccc(Cl)c2)C1 ZINC001207420191 1133799671 /nfs/dbraw/zinc/79/96/71/1133799671.db2.gz AIMLLRQEZAKDCN-AWEZNQCLSA-N 0 1 255.764 3.707 20 0 CHADMN FC(F)n1cccc1CNc1ccc2c(n1)CCCC2 ZINC001207448840 1133803469 /nfs/dbraw/zinc/80/34/69/1133803469.db2.gz NERXRJCIBMXORX-UHFFFAOYSA-N 0 1 277.318 3.769 20 0 CHADMN CC(C)C1CCC(CN2CCn3cccc3C2)CC1 ZINC001207501790 1133810520 /nfs/dbraw/zinc/81/05/20/1133810520.db2.gz KCPIUHDYCLBALP-UHFFFAOYSA-N 0 1 260.425 3.766 20 0 CHADMN C[C@H]1C(=O)CC[N@@H+](CCc2ccc(F)cc2)C12CCCC2 ZINC001207517804 1133811689 /nfs/dbraw/zinc/81/16/89/1133811689.db2.gz FJXCQDJOTBHAHB-AWEZNQCLSA-N 0 1 289.394 3.592 20 0 CHADMN C(CC1CCCCC1)CN1CC2(C1)CCCCO2 ZINC001207607175 1133828038 /nfs/dbraw/zinc/82/80/38/1133828038.db2.gz IZPIMWICSGEEAY-UHFFFAOYSA-N 0 1 251.414 3.602 20 0 CHADMN Clc1cccc2c1C[N@@H+](CC1CCSCC1)CC2 ZINC001207755292 1133844490 /nfs/dbraw/zinc/84/44/90/1133844490.db2.gz GPMIZHKOOLFUOT-UHFFFAOYSA-N 0 1 281.852 3.841 20 0 CHADMN C[C@H](Cc1ccc(C(C)(C)C)cc1)CN1CCC12COC2 ZINC001207915571 1133863636 /nfs/dbraw/zinc/86/36/36/1133863636.db2.gz DBHNSTSFQHAPQF-OAHLLOKOSA-N 0 1 287.447 3.637 20 0 CHADMN C[C@@H](Cc1ccc(C(C)(C)C)cc1)CN1CCC12COC2 ZINC001207915569 1133864232 /nfs/dbraw/zinc/86/42/32/1133864232.db2.gz DBHNSTSFQHAPQF-HNNXBMFYSA-N 0 1 287.447 3.637 20 0 CHADMN CS[C@@H](C)CCN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001208146528 1133887467 /nfs/dbraw/zinc/88/74/67/1133887467.db2.gz AVGVMMSEZZHJRE-OFQRWUPVSA-N 0 1 279.449 3.590 20 0 CHADMN CC1=C[C@H](C)[C@@H](CN2CCC(F)(F)[C@H](F)C2)CC1 ZINC001208158770 1133891603 /nfs/dbraw/zinc/89/16/03/1133891603.db2.gz BVWPWEWVGDKKPB-YNEHKIRRSA-N 0 1 261.331 3.658 20 0 CHADMN CC(C)N(CCc1cccc(F)c1)CC(=O)c1ccccc1 ZINC001208199548 1133905459 /nfs/dbraw/zinc/90/54/59/1133905459.db2.gz SJSARRZAJOLTQS-UHFFFAOYSA-N 0 1 299.389 3.962 20 0 CHADMN Brc1cccc2c1CN(CCC1CC1)CC2 ZINC001208678516 1133925372 /nfs/dbraw/zinc/92/53/72/1133925372.db2.gz DWEXWZZDSFNIRW-UHFFFAOYSA-N 0 1 280.209 3.607 20 0 CHADMN C[C@@H](CN1CCc2c(F)cccc2C1)OCc1ccccc1 ZINC001208703046 1133930832 /nfs/dbraw/zinc/93/08/32/1133930832.db2.gz VOVLZSOKMMMAOI-HNNXBMFYSA-N 0 1 299.389 3.789 20 0 CHADMN C[C@@H](CN1CCc2cc(F)ccc2C1)OCc1ccccc1 ZINC001208702774 1133932199 /nfs/dbraw/zinc/93/21/99/1133932199.db2.gz RBVNEOXKCQISKA-HNNXBMFYSA-N 0 1 299.389 3.789 20 0 CHADMN CC/C=C\CCN1CCCC[C@H]1C(=O)OC(C)(C)C ZINC001208729277 1133936473 /nfs/dbraw/zinc/93/64/73/1133936473.db2.gz QMUGNTCYNPBROT-AFNCTOJWSA-N 0 1 267.413 3.539 20 0 CHADMN CC(C)CCC[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001208736174 1133938123 /nfs/dbraw/zinc/93/81/23/1133938123.db2.gz ZVHLREWBCUSGDB-UHFFFAOYSA-N 0 1 252.789 3.529 20 0 CHADMN C[C@@H]1c2cccn2CCN1CCCc1ccc(F)cc1 ZINC001208771204 1133940944 /nfs/dbraw/zinc/94/09/44/1133940944.db2.gz SLOVOTPVIJYGCS-CQSZACIVSA-N 0 1 272.367 3.637 20 0 CHADMN COc1cccc2c1CN(CCCc1ccc(F)cc1)C2 ZINC001208775500 1133943549 /nfs/dbraw/zinc/94/35/49/1133943549.db2.gz RYEGTDIUCJDSCT-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN F[C@@H]1CN(CCCc2ccccc2Cl)C[C@@H]2C[C@@H]21 ZINC001208871209 1133955086 /nfs/dbraw/zinc/95/50/86/1133955086.db2.gz CYKYUJWJJYENGH-KCQAQPDRSA-N 0 1 267.775 3.562 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1CCCc1ccccc1Cl ZINC001208871514 1133955332 /nfs/dbraw/zinc/95/53/32/1133955332.db2.gz LHOWLHXWEXKMSJ-DGCLKSJQSA-N 0 1 255.764 3.705 20 0 CHADMN C[C@H]1C[C@@H](CF)N(CCCc2ccccc2Cl)C1 ZINC001208872747 1133956057 /nfs/dbraw/zinc/95/60/57/1133956057.db2.gz WFMRNBGOYWESJX-JSGCOSHPSA-N 0 1 269.791 3.953 20 0 CHADMN CC(C)[C@@H]1COCCN1CCCc1ccccc1Cl ZINC001208872139 1133957154 /nfs/dbraw/zinc/95/71/54/1133957154.db2.gz ULHPEYUIIWIGNR-INIZCTEOSA-N 0 1 281.827 3.629 20 0 CHADMN c1c(N=C2CCN(c3ccccc3)CC2)nc2ccccn12 ZINC001209041104 1133970879 /nfs/dbraw/zinc/97/08/79/1133970879.db2.gz HHNUKGMCWNUIFI-UHFFFAOYSA-N 0 1 290.370 3.540 20 0 CHADMN Clc1ccc(CCN2CCSCC2)c(Cl)c1 ZINC001209082052 1133974470 /nfs/dbraw/zinc/97/44/70/1133974470.db2.gz XFJHWOZWHGWYQW-UHFFFAOYSA-N 0 1 276.232 3.585 20 0 CHADMN FC(F)(F)c1cccc(CCN2CCn3cccc3C2)c1 ZINC001209117122 1133977284 /nfs/dbraw/zinc/97/72/84/1133977284.db2.gz AFWFHULIHOBCGI-UHFFFAOYSA-N 0 1 294.320 3.565 20 0 CHADMN C[C@@]1(F)CCCCN(CCc2cc(F)cc(F)c2)C1 ZINC001209129042 1133979054 /nfs/dbraw/zinc/97/90/54/1133979054.db2.gz SXAODLNICBRWSR-OAHLLOKOSA-N 0 1 271.326 3.721 20 0 CHADMN Fc1cc(F)c(CC[N@H+]2CCc3ccsc3C2)cc1F ZINC001209253911 1133995720 /nfs/dbraw/zinc/99/57/20/1133995720.db2.gz DXORYVLULNVUNV-UHFFFAOYSA-N 0 1 297.345 3.766 20 0 CHADMN Fc1cc(F)c(CCN2CCc3ccsc3C2)cc1F ZINC001209253911 1133995727 /nfs/dbraw/zinc/99/57/27/1133995727.db2.gz DXORYVLULNVUNV-UHFFFAOYSA-N 0 1 297.345 3.766 20 0 CHADMN CC/C=C\CCCCCCN1CCC(=O)[C@@H](F)CC1 ZINC001209287373 1134001001 /nfs/dbraw/zinc/00/10/01/1134001001.db2.gz PTUKFCSHCJDXMY-JZIMQPMSSA-N 0 1 269.404 3.906 20 0 CHADMN CCOC(=O)CCCCCC[N@@H+](C)Cc1ccccc1F ZINC001209352029 1134008123 /nfs/dbraw/zinc/00/81/23/1134008123.db2.gz KKKBTVBRWWBGNQ-UHFFFAOYSA-N 0 1 295.398 3.771 20 0 CHADMN Cc1cccc2c(CN3CC[C@@](C)(F)[C@H](F)C3)c[nH]c21 ZINC001209481513 1134026356 /nfs/dbraw/zinc/02/63/56/1134026356.db2.gz ALECSVQPIRQBLS-GDBMZVCRSA-N 0 1 278.346 3.748 20 0 CHADMN O=C1CCN(Cc2ccc3cc[nH]c3c2)[C@@H]2CCCC[C@@H]12 ZINC001209507313 1134032654 /nfs/dbraw/zinc/03/26/54/1134032654.db2.gz IUMJKOUZCPUYLO-NVXWUHKLSA-N 0 1 282.387 3.502 20 0 CHADMN Clc1ccccc1[C@@H]1CCN(Cc2cncs2)C1 ZINC001209550150 1134036840 /nfs/dbraw/zinc/03/68/40/1134036840.db2.gz NQKXPAPTQPNDHD-LLVKDONJSA-N 0 1 278.808 3.786 20 0 CHADMN Cn1nc2ccccc2c1CN1CCC[C@H]2CCCC[C@@H]21 ZINC001209538963 1134037388 /nfs/dbraw/zinc/03/73/88/1134037388.db2.gz GAIIUXTXQDYOLY-PBHICJAKSA-N 0 1 283.419 3.728 20 0 CHADMN Cc1ccc(CN2CC3(CC(OCc4ccccc4)C3)C2)[nH]1 ZINC001209578226 1134038658 /nfs/dbraw/zinc/03/86/58/1134038658.db2.gz JGIWZDJPCDQALO-UHFFFAOYSA-N 0 1 296.414 3.504 20 0 CHADMN Cc1[nH]c2ncccc2c1C[N@H+]1CCc2ccc(F)cc2C1 ZINC001209590108 1134039431 /nfs/dbraw/zinc/03/94/31/1134039431.db2.gz JHYYEHKVCGOYHT-UHFFFAOYSA-N 0 1 295.361 3.569 20 0 CHADMN Cc1[nH]c2ncccc2c1CN1CCc2ccc(F)cc2C1 ZINC001209590108 1134039438 /nfs/dbraw/zinc/03/94/38/1134039438.db2.gz JHYYEHKVCGOYHT-UHFFFAOYSA-N 0 1 295.361 3.569 20 0 CHADMN Cn1nc(CN2CC[C@H]3CCCC[C@H]3C2)c2ccccc21 ZINC001209582093 1134039728 /nfs/dbraw/zinc/03/97/28/1134039728.db2.gz GCVOSCRQLFGMCL-CABCVRRESA-N 0 1 283.419 3.585 20 0 CHADMN CC[C@H](C)[N@@H+](C)Cc1ccc(Cl)c(OC)c1F ZINC001209697624 1134052244 /nfs/dbraw/zinc/05/22/44/1134052244.db2.gz SROVIERLYWSTHU-VIFPVBQESA-N 0 1 259.752 3.718 20 0 CHADMN Clc1ccc2[nH]c(CN3CC4(CCC4)C3)cc2c1 ZINC001209721209 1134052925 /nfs/dbraw/zinc/05/29/25/1134052925.db2.gz XKCRXNQJIWGLRA-UHFFFAOYSA-N 0 1 260.768 3.807 20 0 CHADMN CC[C@@H]1CCC[N@@H+]1Cc1n[nH]c2ccc(Cl)cc21 ZINC001209755913 1134059074 /nfs/dbraw/zinc/05/90/74/1134059074.db2.gz QBDSXLMRZHUWDB-LLVKDONJSA-N 0 1 263.772 3.591 20 0 CHADMN CC[C@@H]1CCC[N@H+]1Cc1n[nH]c2ccc(Cl)cc21 ZINC001209755913 1134059081 /nfs/dbraw/zinc/05/90/81/1134059081.db2.gz QBDSXLMRZHUWDB-LLVKDONJSA-N 0 1 263.772 3.591 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1n[nH]c2ccc(Cl)cc21 ZINC001209750578 1134057827 /nfs/dbraw/zinc/05/78/27/1134057827.db2.gz JIVYBEXQICKNKM-PHIMTYICSA-N 0 1 277.799 3.979 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1[nH]nc2ccc(Cl)cc21 ZINC001209750578 1134057834 /nfs/dbraw/zinc/05/78/34/1134057834.db2.gz JIVYBEXQICKNKM-PHIMTYICSA-N 0 1 277.799 3.979 20 0 CHADMN C[N@@H+](Cc1[nH]nc2ccc(Cl)cc21)Cc1ccccc1 ZINC001209751664 1134058008 /nfs/dbraw/zinc/05/80/08/1134058008.db2.gz UUFVWQCSCSYDGQ-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1n[nH]c2ccc(Cl)cc21 ZINC001209755465 1134058851 /nfs/dbraw/zinc/05/88/51/1134058851.db2.gz LRJGNLDTWFSZGH-WDEREUQCSA-N 0 1 277.799 3.837 20 0 CHADMN C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1n[nH]c2ccc(Cl)cc21 ZINC001209755465 1134058856 /nfs/dbraw/zinc/05/88/56/1134058856.db2.gz LRJGNLDTWFSZGH-WDEREUQCSA-N 0 1 277.799 3.837 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1[nH]nc2ccc(Cl)cc21 ZINC001209755465 1134058862 /nfs/dbraw/zinc/05/88/62/1134058862.db2.gz LRJGNLDTWFSZGH-WDEREUQCSA-N 0 1 277.799 3.837 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1n[nH]c2ccc(Cl)cc21 ZINC001209755465 1134058868 /nfs/dbraw/zinc/05/88/68/1134058868.db2.gz LRJGNLDTWFSZGH-WDEREUQCSA-N 0 1 277.799 3.837 20 0 CHADMN Cc1cnc(Nc2ccc3nc[nH]c3c2)c(Cl)c1 ZINC001209844427 1134078835 /nfs/dbraw/zinc/07/88/35/1134078835.db2.gz MWFVIVHPYSVOIY-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN COCCCOc1ccc(Nc2ccc3nc[nH]c3c2)cc1 ZINC001209847034 1134080404 /nfs/dbraw/zinc/08/04/04/1134080404.db2.gz NAWNRWJWYKOZEQ-UHFFFAOYSA-N 0 1 297.358 3.722 20 0 CHADMN COc1ccc(C(C)=O)c(Nc2ccc3nc[nH]c3c2)c1C ZINC001209847550 1134082560 /nfs/dbraw/zinc/08/25/60/1134082560.db2.gz RZVPOPMKISFBNF-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN Cc1cc(Nc2ccc3nc[nH]c3c2)c(C)cc1O ZINC001209848443 1134082902 /nfs/dbraw/zinc/08/29/02/1134082902.db2.gz LKWLWWNBPKCCOV-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN CCC(=O)c1cccc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209851141 1134083156 /nfs/dbraw/zinc/08/31/56/1134083156.db2.gz IXZDFBPUWXQFIR-UHFFFAOYSA-N 0 1 265.316 3.899 20 0 CHADMN COc1c(F)cc(Nc2ccc3nc[nH]c3c2)cc1F ZINC001209849438 1134083447 /nfs/dbraw/zinc/08/34/47/1134083447.db2.gz ZTIGJTJNLSLTLS-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN COc1cccc(Cl)c1Nc1ccc2nc[nH]c2c1 ZINC001209848960 1134083651 /nfs/dbraw/zinc/08/36/51/1134083651.db2.gz QGYMOKCKAIPYKD-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN Cc1cn(-c2ccc(Nc3ccc4nc[nH]c4c3)cc2)cn1 ZINC001209849204 1134084409 /nfs/dbraw/zinc/08/44/09/1134084409.db2.gz ZQXXPFCOYUIAMH-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1cnn(-c2ccc(C)cc2)c1Nc1cnc(N)cc1C ZINC001209966150 1134111406 /nfs/dbraw/zinc/11/14/06/1134111406.db2.gz BGFHETWJWYYNCV-UHFFFAOYSA-N 0 1 293.374 3.518 20 0 CHADMN Cc1cc(N)ncc1Nc1ccccc1-c1ccccn1 ZINC001209966536 1134111437 /nfs/dbraw/zinc/11/14/37/1134111437.db2.gz FKZKAVJINNBPFM-UHFFFAOYSA-N 0 1 276.343 3.778 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc2ccc(O)cc2c1 ZINC001209968409 1134111536 /nfs/dbraw/zinc/11/15/36/1134111536.db2.gz YODXAXNPPUIGCX-UHFFFAOYSA-N 0 1 265.316 3.575 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(OC(F)(F)F)c(C)c1 ZINC001209969884 1134112469 /nfs/dbraw/zinc/11/24/69/1134112469.db2.gz SQQWQDZOXUSQAG-UHFFFAOYSA-N 0 1 297.280 3.923 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc(F)c1C(F)(F)F ZINC001209970026 1134112725 /nfs/dbraw/zinc/11/27/25/1134112725.db2.gz QWXBVMWMPPRSGR-UHFFFAOYSA-N 0 1 285.244 3.874 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(F)c(F)cc1Cl ZINC001209968905 1134112897 /nfs/dbraw/zinc/11/28/97/1134112897.db2.gz DITKCSSLDADWEB-UHFFFAOYSA-N 0 1 269.682 3.647 20 0 CHADMN Cc1cc(Nc2ccccc2N(C)C)c2ccccc2n1 ZINC001209989154 1134117614 /nfs/dbraw/zinc/11/76/14/1134117614.db2.gz RLKUKJNPYTUKLL-UHFFFAOYSA-N 0 1 277.371 3.775 20 0 CHADMN COc1cc(Nc2ccc3cccnc3c2)ncc1C ZINC001210055777 1134139195 /nfs/dbraw/zinc/13/91/95/1134139195.db2.gz QBTVVRHZOJDMFW-UHFFFAOYSA-N 0 1 265.316 3.690 20 0 CHADMN Cc1cc(Nc2cc3cn[nH]c3cc2C)n(C(C)C)n1 ZINC001210100540 1134145524 /nfs/dbraw/zinc/14/55/24/1134145524.db2.gz QTMKFKKPJBNGBQ-UHFFFAOYSA-N 0 1 269.352 3.701 20 0 CHADMN COc1ccc(Nc2cc3cn[nH]c3cc2C)c(C)c1 ZINC001210102748 1134146729 /nfs/dbraw/zinc/14/67/29/1134146729.db2.gz SWHLDCWLXZKKMU-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN COc1cc(Cl)cnc1Nc1cc2cn[nH]c2cc1C ZINC001210102208 1134147182 /nfs/dbraw/zinc/14/71/82/1134147182.db2.gz NAMIRLKBKGLSJC-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(F)c(C)cc1N ZINC001210101992 1134147373 /nfs/dbraw/zinc/14/73/73/1134147373.db2.gz KVHLLKYKCYJCAY-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(C2(C)COC2)cc1 ZINC001210105473 1134148985 /nfs/dbraw/zinc/14/89/85/1134148985.db2.gz BFIDASOHBZCRJL-UHFFFAOYSA-N 0 1 293.370 3.903 20 0 CHADMN COc1ccc2nc(N)n(C3=CCCCCCC3)c2c1 ZINC001210449388 1134217240 /nfs/dbraw/zinc/21/72/40/1134217240.db2.gz GHSHENGPQBMXPD-UHFFFAOYSA-N 0 1 271.364 3.822 20 0 CHADMN [O-]c1cc(F)cc(F)c1N=C1CCC([NH+]2CCCC2)CC1 ZINC001210714428 1134279533 /nfs/dbraw/zinc/27/95/33/1134279533.db2.gz OKVQXLONGQCRDC-CYBMUJFWSA-N 0 1 294.345 3.615 20 0 CHADMN [O-]c1cc(F)cc(F)c1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210714428 1134279538 /nfs/dbraw/zinc/27/95/38/1134279538.db2.gz OKVQXLONGQCRDC-CYBMUJFWSA-N 0 1 294.345 3.615 20 0 CHADMN Oc1c(Cl)cc(Nc2nccnc2Cl)cc1Cl ZINC001210923212 1134327995 /nfs/dbraw/zinc/32/79/95/1134327995.db2.gz NDOXSOIPKJXNQL-UHFFFAOYSA-N 0 1 290.537 3.886 20 0 CHADMN Cc1cncc(Nc2cc(Cl)c(O)c(Cl)c2)n1 ZINC001210922978 1134328043 /nfs/dbraw/zinc/32/80/43/1134328043.db2.gz GNRYEKLRGBZIKI-UHFFFAOYSA-N 0 1 270.119 3.541 20 0 CHADMN C=C(Nc1ccccc1C(=O)NCC)c1ccccc1 ZINC001210987257 1134342390 /nfs/dbraw/zinc/34/23/90/1134342390.db2.gz KOMDAOSDCRMDGU-UHFFFAOYSA-N 0 1 266.344 3.519 20 0 CHADMN CC(=Nc1ccc(OCC2CC2)nc1)c1ccccc1 ZINC001210985557 1134343101 /nfs/dbraw/zinc/34/31/01/1134343101.db2.gz QZXTYXYOEIYBHI-UHFFFAOYSA-N 0 1 266.344 3.953 20 0 CHADMN CC(=Nc1ccc(C(=O)CCCO)cc1)c1ccccc1 ZINC001210987317 1134343190 /nfs/dbraw/zinc/34/31/90/1134343190.db2.gz MTMKWDWDEAVTKM-UHFFFAOYSA-N 0 1 281.355 3.725 20 0 CHADMN COC(=O)c1cc(F)cc(N=C(C)c2ccccc2)c1 ZINC001210989215 1134344667 /nfs/dbraw/zinc/34/46/67/1134344667.db2.gz IVPABZAOSWGUJE-UHFFFAOYSA-N 0 1 271.291 3.695 20 0 CHADMN C=C(Nc1cccc2c1OCC[C@@H]2O)c1ccccc1 ZINC001210991315 1134345212 /nfs/dbraw/zinc/34/52/12/1134345212.db2.gz VGICGCMPNDDWDC-INIZCTEOSA-N 0 1 267.328 3.585 20 0 CHADMN COc1cc(Nc2ccccc2SC)ncc1C ZINC001211065270 1134360935 /nfs/dbraw/zinc/36/09/35/1134360935.db2.gz VPXZSOIYRAOJJJ-UHFFFAOYSA-N 0 1 260.362 3.864 20 0 CHADMN Cn1cncc1Nc1ccc(Br)cc1Cl ZINC001211248769 1134398459 /nfs/dbraw/zinc/39/84/59/1134398459.db2.gz FDCHMHZOQQTSRU-UHFFFAOYSA-N 0 1 286.560 3.580 20 0 CHADMN CCC(CC)Oc1ccc(F)cc1Nc1cncn1C ZINC001211252693 1134399345 /nfs/dbraw/zinc/39/93/45/1134399345.db2.gz VDSXUXJGNYWVSH-UHFFFAOYSA-N 0 1 277.343 3.870 20 0 CHADMN Cn1cncc1Nc1cc(OC(F)(F)F)ccc1Cl ZINC001211252006 1134400095 /nfs/dbraw/zinc/40/00/95/1134400095.db2.gz VFGMNWMZJZZTMW-UHFFFAOYSA-N 0 1 291.660 3.716 20 0 CHADMN Cc1ccc(-c2ccccc2Nc2cncn2C)o1 ZINC001211252046 1134400210 /nfs/dbraw/zinc/40/02/10/1134400210.db2.gz WWSRSACYBQPQEY-UHFFFAOYSA-N 0 1 253.305 3.732 20 0 CHADMN COc1cnccc1Nc1ccc(OC2CCCC2)cc1 ZINC001211260622 1134400296 /nfs/dbraw/zinc/40/02/96/1134400296.db2.gz OFZHNNYLEVIIHO-UHFFFAOYSA-N 0 1 284.359 3.577 20 0 CHADMN [O-]c1cc(F)c(-c2cccc(C[NH+]3CCCC3)c2)cc1F ZINC001211338378 1134410176 /nfs/dbraw/zinc/41/01/76/1134410176.db2.gz CTVAYCPXKWTOAS-UHFFFAOYSA-N 0 1 289.325 3.933 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1cc(F)c(O)cc1F ZINC001211350510 1134411656 /nfs/dbraw/zinc/41/16/56/1134411656.db2.gz QKVIZSDCWMJPND-UHFFFAOYSA-N 0 1 260.243 3.522 20 0 CHADMN Oc1cc(F)c(-c2cnc(-c3ccccc3)nc2)cc1F ZINC001211350137 1134411860 /nfs/dbraw/zinc/41/18/60/1134411860.db2.gz NHDYTTYMTBLRSE-UHFFFAOYSA-N 0 1 284.265 3.794 20 0 CHADMN Cc1nc2ccc(Nc3nnc(-c4ccco4)o3)cc2o1 ZINC001213062996 1134418561 /nfs/dbraw/zinc/41/85/61/1134418561.db2.gz NXMSTYUIPJWSET-UHFFFAOYSA-N 0 1 282.259 3.523 20 0 CHADMN Cc1nc2cc(Nc3ccc(C)c(O)c3)ccc2[nH]1 ZINC001213074536 1134421465 /nfs/dbraw/zinc/42/14/65/1134421465.db2.gz ZWJGRDXXKVPYHM-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN CCc1ccc(Nc2ccc3[nH]c(C)nc3c2)cn1 ZINC001213072410 1134421604 /nfs/dbraw/zinc/42/16/04/1134421604.db2.gz RQMJHDUBILPUSR-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN Cc1nc2ccc(Nc3scnc3C3CC3)cc2[nH]1 ZINC001213073413 1134422087 /nfs/dbraw/zinc/42/20/87/1134422087.db2.gz OQEKYMGARVRKFA-UHFFFAOYSA-N 0 1 270.361 3.949 20 0 CHADMN Cc1nc2cc(Nc3ccc(C4(C)COC4)cc3)ccc2[nH]1 ZINC001213077082 1134422815 /nfs/dbraw/zinc/42/28/15/1134422815.db2.gz DPYQQJHXKMNTHR-UHFFFAOYSA-N 0 1 293.370 3.903 20 0 CHADMN Cc1nc2cc(Nc3cccc(O)c3C)ccc2[nH]1 ZINC001213075203 1134423674 /nfs/dbraw/zinc/42/36/74/1134423674.db2.gz IZFWPHWDELDSBD-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COc1nc(Cl)cnc1Nc1ccnc(C(C)(C)C)c1 ZINC001213162689 1134433015 /nfs/dbraw/zinc/43/30/15/1134433015.db2.gz ISUCONGFRGUYRV-UHFFFAOYSA-N 0 1 292.770 3.575 20 0 CHADMN CC(C)(C)c1cc(Nc2cncc(Cl)n2)ccn1 ZINC001213160732 1134433216 /nfs/dbraw/zinc/43/32/16/1134433216.db2.gz IDWQXXRCDHXPAH-UHFFFAOYSA-N 0 1 262.744 3.566 20 0 CHADMN Cc1cnc(C)c(Nc2ccnc(C(C)(C)C)c2)n1 ZINC001213160764 1134433481 /nfs/dbraw/zinc/43/34/81/1134433481.db2.gz KIGLCPSBTGQHKP-UHFFFAOYSA-N 0 1 256.353 3.530 20 0 CHADMN Cc1ncc(C2CC2)cc1Nc1ccc2nccn2c1 ZINC001213491501 1134453938 /nfs/dbraw/zinc/45/39/38/1134453938.db2.gz LPIQKNMTZLJJAY-UHFFFAOYSA-N 0 1 264.332 3.659 20 0 CHADMN Clc1cc(-c2nc(-c3ccc4ccccc4c3)no2)n[nH]1 ZINC001213500572 1134456266 /nfs/dbraw/zinc/45/62/66/1134456266.db2.gz JVXXGFFWWFTZFP-UHFFFAOYSA-N 0 1 296.717 3.933 20 0 CHADMN Cc1cc(Cl)cc(-c2noc(-c3cc(Cl)[nH]n3)n2)c1 ZINC001213500403 1134456347 /nfs/dbraw/zinc/45/63/47/1134456347.db2.gz GLJCCNPBDDQGSN-UHFFFAOYSA-N 0 1 295.129 3.742 20 0 CHADMN CC(C)c1ccc(-c2noc(-c3cc(Cl)[nH]n3)n2)cc1 ZINC001213500974 1134456430 /nfs/dbraw/zinc/45/64/30/1134456430.db2.gz VANWPFORVWAVEL-UHFFFAOYSA-N 0 1 288.738 3.904 20 0 CHADMN Cc1cc([C@H]2CCCCN2C(=O)OC2CCCCC2)n[nH]1 ZINC001213854004 1134491482 /nfs/dbraw/zinc/49/14/82/1134491482.db2.gz LELJEUZDHODUJN-OAHLLOKOSA-N 0 1 291.395 3.714 20 0 CHADMN Cc1cc(Nc2cnccc2C2CC2)n(-c2ccncc2)n1 ZINC001213873033 1134494332 /nfs/dbraw/zinc/49/43/32/1134494332.db2.gz OIYJMJSLTOYADU-UHFFFAOYSA-N 0 1 291.358 3.592 20 0 CHADMN Cc1ccc(Nc2cc(C)nc3ccccc32)c(N)c1 ZINC001214175818 1134517100 /nfs/dbraw/zinc/51/71/00/1134517100.db2.gz KQEGMYQADKMYBA-UHFFFAOYSA-N 0 1 263.344 3.599 20 0 CHADMN COc1cc(Nc2ccc(Cl)c(O)c2F)cc(C)n1 ZINC001214795971 1134573105 /nfs/dbraw/zinc/57/31/05/1134573105.db2.gz DEZQLJYUMSKUBH-UHFFFAOYSA-N 0 1 282.702 3.640 20 0 CHADMN O=c1[nH]cc(Cl)cc1Nc1ccc(Cl)c(O)c1F ZINC001214796458 1134573548 /nfs/dbraw/zinc/57/35/48/1134573548.db2.gz WYFWLUSVUIDAAY-UHFFFAOYSA-N 0 1 289.093 3.682 20 0 CHADMN COc1nc(C)ccc1Nc1ccc(Cl)c(O)c1F ZINC001214793897 1134573845 /nfs/dbraw/zinc/57/38/45/1134573845.db2.gz PHSNSVXCSZUHMH-UHFFFAOYSA-N 0 1 282.702 3.640 20 0 CHADMN O=c1[nH]oc2ccc(Nc3ccc(Cl)c(O)c3F)cc12 ZINC001214803769 1134575028 /nfs/dbraw/zinc/57/50/28/1134575028.db2.gz GIJAYTWBCZQKEU-UHFFFAOYSA-N 0 1 294.669 3.775 20 0 CHADMN Nc1cccc2ccn(-c3ccc(Cl)c(O)c3F)c21 ZINC001214803836 1134575587 /nfs/dbraw/zinc/57/55/87/1134575587.db2.gz HXVXMENJLBGXDF-UHFFFAOYSA-N 0 1 276.698 3.711 20 0 CHADMN Cc1ncn(C)c1Nc1c(F)ccc(OC(C)C)c1F ZINC001215175075 1134604750 /nfs/dbraw/zinc/60/47/50/1134604750.db2.gz RENHYJLHUVVKST-UHFFFAOYSA-N 0 1 281.306 3.538 20 0 CHADMN Cc1ccc(N[C@H]2CCCc3[nH]ncc32)c(Cl)c1 ZINC000401613328 1134617564 /nfs/dbraw/zinc/61/75/64/1134617564.db2.gz OWMMEKDLRINFEG-LBPRGKRZSA-N 0 1 261.756 3.861 20 0 CHADMN CC[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000401279703 1134608480 /nfs/dbraw/zinc/60/84/80/1134608480.db2.gz HJJDUTSLEYWEJK-OAGGEKHMSA-N 0 1 281.440 3.780 20 0 CHADMN COc1ccc(Cl)c(N[C@H]2CCCc3[nH]ncc32)c1 ZINC000401619697 1134618213 /nfs/dbraw/zinc/61/82/13/1134618213.db2.gz UPHWEWHHBUGNHI-LBPRGKRZSA-N 0 1 277.755 3.561 20 0 CHADMN Oc1cc(F)c(-c2nc(-c3ccc(F)cc3)no2)c(F)c1 ZINC001215348325 1134618533 /nfs/dbraw/zinc/61/85/33/1134618533.db2.gz VWTLMCBXSXMDKB-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN Cc1[nH+]ccn1-c1ccc(Nc2ccsc2C(=O)[O-])cc1 ZINC001215393983 1134622848 /nfs/dbraw/zinc/62/28/48/1134622848.db2.gz DTYVTKDEMXWNTF-UHFFFAOYSA-N 0 1 299.355 3.684 20 0 CHADMN CSc1ccc(F)cc1Nc1nnc(C(C)(C)C)o1 ZINC001215443950 1134627803 /nfs/dbraw/zinc/62/78/03/1134627803.db2.gz DMLHLRFEUKAANY-UHFFFAOYSA-N 0 1 281.356 3.972 20 0 CHADMN CCc1ccc(C)[nH+]c1Nc1cc(F)c(F)c(C(=O)[O-])c1 ZINC001215455263 1134629118 /nfs/dbraw/zinc/62/91/18/1134629118.db2.gz GPVMNIPPBUWEIN-UHFFFAOYSA-N 0 1 292.285 3.672 20 0 CHADMN COCc1cc(C)c(Nc2cc(OC)ccn2)c(C)c1 ZINC001215528633 1134637540 /nfs/dbraw/zinc/63/75/40/1134637540.db2.gz DHEWFTMPHOPVDS-UHFFFAOYSA-N 0 1 272.348 3.597 20 0 CHADMN Cc1ccnc(Cl)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215552877 1134639304 /nfs/dbraw/zinc/63/93/04/1134639304.db2.gz HYSULZDKUUHXHA-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Fc1cc(Nc2cnccc2C(F)(F)F)cc2[nH]ncc21 ZINC001215553066 1134639337 /nfs/dbraw/zinc/63/93/37/1134639337.db2.gz NGHCHVYKRJLIJJ-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN CC(C)c1cccc(Nc2cc3[nH]ncc3c(F)c2)n1 ZINC001215553755 1134639508 /nfs/dbraw/zinc/63/95/08/1134639508.db2.gz FWRZZKFCXAUAEI-UHFFFAOYSA-N 0 1 270.311 3.964 20 0 CHADMN Fc1cnc(Cl)c(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215554101 1134639935 /nfs/dbraw/zinc/63/99/35/1134639935.db2.gz WCVRRBDYQBTHKA-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN Fc1cc(Nc2cnc(Cl)nc2Cl)cc2[nH]ncc21 ZINC001215553419 1134639988 /nfs/dbraw/zinc/63/99/88/1134639988.db2.gz VSMNMEGUTBNSPT-UHFFFAOYSA-N 0 1 298.108 3.542 20 0 CHADMN Oc1cc(Nc2cc3[nH]ncc3c(F)c2)c(F)cc1Cl ZINC001215556169 1134640802 /nfs/dbraw/zinc/64/08/02/1134640802.db2.gz WNJJPVYWKBWHKY-UHFFFAOYSA-N 0 1 295.676 3.944 20 0 CHADMN COc1ccc(Cl)c(Nc2cc3n[nH]cc3c(F)c2)n1 ZINC001215554730 1134640872 /nfs/dbraw/zinc/64/08/72/1134640872.db2.gz BBJGDUQFYANZLY-UHFFFAOYSA-N 0 1 292.701 3.503 20 0 CHADMN CCc1nccc(C)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555178 1134641213 /nfs/dbraw/zinc/64/12/13/1134641213.db2.gz POFXNTJYBIEVKA-UHFFFAOYSA-N 0 1 270.311 3.711 20 0 CHADMN CSc1cc(Nc2cc3[nH]ncc3c(F)c2)ccn1 ZINC001215556633 1134642140 /nfs/dbraw/zinc/64/21/40/1134642140.db2.gz VXAGCCSXNDHHKV-UHFFFAOYSA-N 0 1 274.324 3.563 20 0 CHADMN OCc1c(Cl)cccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215556920 1134642153 /nfs/dbraw/zinc/64/21/53/1134642153.db2.gz MQVQVUIOVONXRV-UHFFFAOYSA-N 0 1 291.713 3.591 20 0 CHADMN Fc1cc(Nc2ncccc2C2CC2)cc2[nH]ncc21 ZINC001215556692 1134642600 /nfs/dbraw/zinc/64/26/00/1134642600.db2.gz XWKVTTZSWLLLTJ-UHFFFAOYSA-N 0 1 268.295 3.718 20 0 CHADMN COc1c(F)c(C)ccc1Nc1ccc2nccn2c1 ZINC001215599980 1134651521 /nfs/dbraw/zinc/65/15/21/1134651521.db2.gz QLQQXWQQGRPAFK-UHFFFAOYSA-N 0 1 271.295 3.534 20 0 CHADMN Cc1cc(OC(C)C)cc(C)c1Nc1cncn1C ZINC001215686796 1134659139 /nfs/dbraw/zinc/65/91/39/1134659139.db2.gz KWGJSSIYOBUQRI-UHFFFAOYSA-N 0 1 259.353 3.568 20 0 CHADMN Cc1ccc(Nc2cccnc2Cl)c2cn[nH]c21 ZINC001215754177 1134673342 /nfs/dbraw/zinc/67/33/42/1134673342.db2.gz NIIQLYRKSPKORG-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1ccc(Nc2ccc(C3CC3)nc2)c2cn[nH]c21 ZINC001215756153 1134674381 /nfs/dbraw/zinc/67/43/81/1134674381.db2.gz KMBUAJDZUYAUQU-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1ccc(Nc2ccc(N3CCCC3)nc2)c2cn[nH]c21 ZINC001215755813 1134674452 /nfs/dbraw/zinc/67/44/52/1134674452.db2.gz CWGRJSSRDWTKME-UHFFFAOYSA-N 0 1 293.374 3.610 20 0 CHADMN Cc1ccc(Nc2ccnc(Cl)c2C)c2cn[nH]c21 ZINC001215756514 1134674524 /nfs/dbraw/zinc/67/45/24/1134674524.db2.gz SJBAPXPOZYDGNJ-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1ccc(Nc2cncc(N3CCCC3)c2)c2cn[nH]c21 ZINC001215756684 1134674659 /nfs/dbraw/zinc/67/46/59/1134674659.db2.gz VYRSBTDIDCNOKL-UHFFFAOYSA-N 0 1 293.374 3.610 20 0 CHADMN Cc1ccc(Nc2c(O)cc(F)cc2F)c2cn[nH]c21 ZINC001215756561 1134674769 /nfs/dbraw/zinc/67/47/69/1134674769.db2.gz AQQUKMCPAHRJLG-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1ccc(Nc2cc(F)nc(F)c2Cl)c2cn[nH]c21 ZINC001215755502 1134674812 /nfs/dbraw/zinc/67/48/12/1134674812.db2.gz TXWKWNIHRGYGGB-UHFFFAOYSA-N 0 1 294.692 3.942 20 0 CHADMN CC(=O)c1sccc1Nc1ccc(C)c2[nH]ncc21 ZINC001215755979 1134675163 /nfs/dbraw/zinc/67/51/63/1134675163.db2.gz GZWYBJWAXHEJBW-UHFFFAOYSA-N 0 1 271.345 3.879 20 0 CHADMN Cc1cc(Nc2ccc(C)c3[nH]ncc32)n(C2CCC2)n1 ZINC001215756239 1134675326 /nfs/dbraw/zinc/67/53/26/1134675326.db2.gz ONECMYRAGAZXNO-UHFFFAOYSA-N 0 1 281.363 3.845 20 0 CHADMN COc1ccc(Nc2ccc(C)c3[nH]ncc32)c(F)c1 ZINC001215757750 1134676163 /nfs/dbraw/zinc/67/61/63/1134676163.db2.gz ZHLXETWOJSEKRQ-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1ccc(Nc2ccc(-n3cccn3)cc2)c2cn[nH]c21 ZINC001215757361 1134676371 /nfs/dbraw/zinc/67/63/71/1134676371.db2.gz PEFUZOLFNUOCCW-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1ccc(Nc2cccc3ocnc32)c2cn[nH]c21 ZINC001215758279 1134676499 /nfs/dbraw/zinc/67/64/99/1134676499.db2.gz NXKQBYATPCLQTH-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN CC(=O)c1cccc(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215757106 1134676636 /nfs/dbraw/zinc/67/66/36/1134676636.db2.gz MPYSTUWKCRFOTN-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN COC(=O)c1cc(C)cc(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215759146 1134677187 /nfs/dbraw/zinc/67/71/87/1134677187.db2.gz GYMWFVIESGZGST-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1ccc(Nc2cccc(Cl)c2CO)c2cn[nH]c21 ZINC001215759801 1134677848 /nfs/dbraw/zinc/67/78/48/1134677848.db2.gz WQOVSXDOMHHHCN-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1cc(OC(C)C)ncc1Nc1ccc2nccn2c1 ZINC001215770134 1134682130 /nfs/dbraw/zinc/68/21/30/1134682130.db2.gz BIMIQVDBAPJUTG-UHFFFAOYSA-N 0 1 282.347 3.569 20 0 CHADMN Oc1cccc(F)c1-c1nc(-c2cccc3ccoc32)no1 ZINC001215776192 1134683722 /nfs/dbraw/zinc/68/37/22/1134683722.db2.gz KRUQSBXSALOONQ-UHFFFAOYSA-N 0 1 296.257 3.995 20 0 CHADMN Cc1cc(F)cc(-c2noc(-c3ccc(O)c(F)c3)n2)c1 ZINC001215791934 1134687585 /nfs/dbraw/zinc/68/75/85/1134687585.db2.gz HXJHSOMFLIWZDG-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Cc1c(CO)cccc1Nc1cc(Cl)cc2[nH]ncc21 ZINC001215860797 1134705362 /nfs/dbraw/zinc/70/53/62/1134705362.db2.gz KHNSPEUHLFDLCG-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN O=c1[nH]ccc(Nc2cc(Cl)cc3[nH]ncc32)c1Cl ZINC001215859630 1134705390 /nfs/dbraw/zinc/70/53/90/1134705390.db2.gz QDIMEFSZPWBYDT-UHFFFAOYSA-N 0 1 295.129 3.714 20 0 CHADMN Cc1cc(O)ccc1Nc1cc(Cl)cc2[nH]ncc21 ZINC001215860875 1134705688 /nfs/dbraw/zinc/70/56/88/1134705688.db2.gz NHPSRRNLFKULBQ-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Oc1c(F)cccc1-c1nc(-c2cc(F)cc(F)c2)no1 ZINC001215862822 1134707266 /nfs/dbraw/zinc/70/72/66/1134707266.db2.gz GNKQHLPTVPSMPX-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN Fc1c(Cl)cc(Cl)c(F)c1Nc1cnns1 ZINC001215937040 1134725051 /nfs/dbraw/zinc/72/50/51/1134725051.db2.gz BGBPKXWHUXRUPG-UHFFFAOYSA-N 0 1 282.102 3.867 20 0 CHADMN COCc1cc(OC)ccc1Nc1cnc2cccc(C)n12 ZINC001215978789 1134739412 /nfs/dbraw/zinc/73/94/12/1134739412.db2.gz OKNDYRZONNZMSS-UHFFFAOYSA-N 0 1 297.358 3.541 20 0 CHADMN CCOc1ccc(Nc2cc(OC)ccn2)c(C)c1C ZINC001215988588 1134742873 /nfs/dbraw/zinc/74/28/73/1134742873.db2.gz JSZVTGVDXXKJFH-UHFFFAOYSA-N 0 1 272.348 3.849 20 0 CHADMN CC(C)c1ccc(N)c(Nc2ccnn2-c2ccncc2)c1 ZINC001216022340 1134751872 /nfs/dbraw/zinc/75/18/72/1134751872.db2.gz UKOJLDJZGVCJOT-UHFFFAOYSA-N 0 1 293.374 3.717 20 0 CHADMN Cc1cc(Cl)nc(Nc2cccc(CN(C)C)c2F)c1 ZINC001216227766 1134812705 /nfs/dbraw/zinc/81/27/05/1134812705.db2.gz JJWMHKVTRUSNND-UHFFFAOYSA-N 0 1 293.773 3.988 20 0 CHADMN CN(C)Cc1cccc(Nc2cc(C(C)(C)C)no2)c1F ZINC001216227442 1134812916 /nfs/dbraw/zinc/81/29/16/1134812916.db2.gz HQOVOBAEOSRSKH-UHFFFAOYSA-N 0 1 291.370 3.916 20 0 CHADMN Cc1ccc(C)c(Nc2cccc(CN(C)C)c2F)n1 ZINC001216228175 1134813261 /nfs/dbraw/zinc/81/32/61/1134813261.db2.gz URWCWCUPXDUIPT-UHFFFAOYSA-N 0 1 273.355 3.643 20 0 CHADMN CN(C)Cc1cccc(Nc2cnn(C(C)(C)C)c2)c1F ZINC001216227420 1134813895 /nfs/dbraw/zinc/81/38/95/1134813895.db2.gz GINTVJFBNDCBNS-UHFFFAOYSA-N 0 1 290.386 3.582 20 0 CHADMN CN(C)Cc1cccc(Nc2cc(F)c(O)cc2F)c1F ZINC001216231547 1134814697 /nfs/dbraw/zinc/81/46/97/1134814697.db2.gz DXHZOQNVAJQYHD-UHFFFAOYSA-N 0 1 296.292 3.615 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc3nn(C)cc3c2)c1F ZINC001216230780 1134815208 /nfs/dbraw/zinc/81/52/08/1134815208.db2.gz CQHLJRKJVSWLEF-UHFFFAOYSA-N 0 1 298.365 3.518 20 0 CHADMN COc1ccc(Nc2cncn2Cc2ccccc2)cc1F ZINC001216552347 1134917913 /nfs/dbraw/zinc/91/79/13/1134917913.db2.gz OXPGUIZMVHHJCF-UHFFFAOYSA-N 0 1 297.333 3.823 20 0 CHADMN CC(C)Cn1cnc(Nc2cncn2Cc2ccccc2)c1 ZINC001216552150 1134918696 /nfs/dbraw/zinc/91/86/96/1134918696.db2.gz JZOOSPFHEFCSKA-UHFFFAOYSA-N 0 1 295.390 3.528 20 0 CHADMN c1ncn(Cc2ccccc2)c1Nc1ncccc1C1CC1 ZINC001216552538 1134918773 /nfs/dbraw/zinc/91/87/73/1134918773.db2.gz SDJJUPPUDSKGDO-UHFFFAOYSA-N 0 1 290.370 3.947 20 0 CHADMN c1ncn(Cc2ccccc2)c1Nc1ccc(C2CC2)nc1 ZINC001216551042 1134918876 /nfs/dbraw/zinc/91/88/76/1134918876.db2.gz VMVGFIARUFGMAJ-UHFFFAOYSA-N 0 1 290.370 3.947 20 0 CHADMN Oc1ccc(F)cc1Nc1cncn1Cc1ccccc1 ZINC001216554073 1134919540 /nfs/dbraw/zinc/91/95/40/1134919540.db2.gz VVIVYUIPYXMDAG-UHFFFAOYSA-N 0 1 283.306 3.520 20 0 CHADMN Cc1cc(Nc2cncn2Cc2ccccc2)c(C)cc1O ZINC001216554078 1134919780 /nfs/dbraw/zinc/91/97/80/1134919780.db2.gz WDWUQHUROQLWLX-UHFFFAOYSA-N 0 1 293.370 3.997 20 0 CHADMN Cc1c(O)ccc(Nc2cncn2Cc2ccccc2)c1C ZINC001216553209 1134920346 /nfs/dbraw/zinc/92/03/46/1134920346.db2.gz JTJYCTVRQYSJIN-UHFFFAOYSA-N 0 1 293.370 3.997 20 0 CHADMN Cc1ccccc1-c1noc(-c2c(O)ccc(F)c2F)n1 ZINC001216928502 1134954248 /nfs/dbraw/zinc/95/42/48/1134954248.db2.gz FKAUVXIDHQSJRK-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Fc1ccc(F)c(-c2noc(-c3cnc4[nH]cccc3-4)n2)c1 ZINC001217144876 1134965163 /nfs/dbraw/zinc/96/51/63/1134965163.db2.gz BAWHXSKHTAUQGZ-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN Cc1cccc2nc(-c3nc(-c4ccc(F)cc4)no3)[nH]c21 ZINC001217335675 1134973101 /nfs/dbraw/zinc/97/31/01/1134973101.db2.gz IXCQFNOPJYNDLC-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1[nH]nc2cc(-c3nc(-c4ccccc4C)no3)ccc12 ZINC001217576737 1134984414 /nfs/dbraw/zinc/98/44/14/1134984414.db2.gz UVSIWSBYSAFQKX-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN CN[C@@H](C)c1nnc(-c2ccc(-c3ccccc3)cc2)o1 ZINC001217697226 1134987673 /nfs/dbraw/zinc/98/76/73/1134987673.db2.gz YXCALMYULIKFOV-LBPRGKRZSA-N 0 1 279.343 3.684 20 0 CHADMN NC1(c2nnc(-c3ccc4ccccc4c3)o2)CCCC1 ZINC001217694649 1134987710 /nfs/dbraw/zinc/98/77/10/1134987710.db2.gz IQVFVEOGGREUDB-UHFFFAOYSA-N 0 1 279.343 3.618 20 0 CHADMN CC(C)c1ccc(-c2nnc([C@@H]3CC[C@@H](C)CN3)o2)cc1 ZINC001217701635 1134988026 /nfs/dbraw/zinc/98/80/26/1134988026.db2.gz FDQAQOHKQCJNID-DOMZBBRYSA-N 0 1 285.391 3.921 20 0 CHADMN CC(C)c1ccc(-c2nnc([C@](C)(N)C(C)C)o2)cc1 ZINC001217732548 1134991551 /nfs/dbraw/zinc/99/15/51/1134991551.db2.gz CKNOAWMFNBOSAP-MRXNPFEDSA-N 0 1 273.380 3.690 20 0 CHADMN CN[C@@H](CC1CCCCC1)c1nnc(CCC(C)C)o1 ZINC001217728651 1134992537 /nfs/dbraw/zinc/99/25/37/1134992537.db2.gz UZZNJVMKOHHGDU-AWEZNQCLSA-N 0 1 279.428 3.889 20 0 CHADMN CC[C@H](C)[C@H](NC)c1nnc([C@@H]2C[C@H]2c2ccc(C)cc2)o1 ZINC001217723003 1134992584 /nfs/dbraw/zinc/99/25/84/1134992584.db2.gz KPLQBCWNCNLORZ-HNKHHVNMSA-N 0 1 299.418 3.956 20 0 CHADMN CC[C@H](C)[C@@H](NC)c1nnc(CCC2CCCCC2)o1 ZINC001217735103 1134994084 /nfs/dbraw/zinc/99/40/84/1134994084.db2.gz GZPYIXNMSBFDJZ-SWLSCSKDSA-N 0 1 279.428 3.889 20 0 CHADMN CCCCC[C@H](NC)c1nnc(CC2CCCC2)o1 ZINC001217756702 1134995098 /nfs/dbraw/zinc/99/50/98/1134995098.db2.gz RZABNEWUHUETPA-ZDUSSCGKSA-N 0 1 265.401 3.643 20 0 CHADMN C[C@@H]1CC(OCc2cccc3nc[nH]c32)C[C@@H](C)C1 ZINC001217859575 1135010678 /nfs/dbraw/zinc/01/06/78/1135010678.db2.gz HNDABHXXMDGEDN-RYUDHWBXSA-N 0 1 258.365 3.904 20 0 CHADMN C[C@@H]1CCC[C@H](OCc2cccc3nc[nH]c32)[C@@H]1C ZINC001217892127 1135018122 /nfs/dbraw/zinc/01/81/22/1135018122.db2.gz CHZGZRLHPRYJCK-JMSVASOKSA-N 0 1 258.365 3.904 20 0 CHADMN CCCCC[C@H](CCCC)Oc1n[nH]c2c1CNCC2 ZINC001218353014 1135092824 /nfs/dbraw/zinc/09/28/24/1135092824.db2.gz OXXOUUHUPFPXNP-ZDUSSCGKSA-N 0 1 279.428 3.573 20 0 CHADMN CN[C@H](C(=O)Nc1ccc(F)c(C2CC2)c1)c1ccccc1 ZINC001219450929 1135133301 /nfs/dbraw/zinc/13/33/01/1135133301.db2.gz GBBFPGOVRDUEHG-KRWDZBQOSA-N 0 1 298.361 3.602 20 0 CHADMN Cc1ccc(OC(C)C)cc1-c1cc2[nH]nnc2cc1F ZINC001222143754 1135199660 /nfs/dbraw/zinc/19/96/60/1135199660.db2.gz QAQXYWKKNHVQBM-UHFFFAOYSA-N 0 1 285.322 3.860 20 0 CHADMN Cc1ccc(OC(C)C)cc1-c1cccc2[nH]nnc21 ZINC001222148849 1135199887 /nfs/dbraw/zinc/19/98/87/1135199887.db2.gz NXHYSFJMRRCPGB-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN CCCOc1ccc(C)c(-c2cc3[nH]cnc3cn2)c1 ZINC001222159749 1135202023 /nfs/dbraw/zinc/20/20/23/1135202023.db2.gz BHOGXFWRHBLPIJ-UHFFFAOYSA-N 0 1 267.332 3.722 20 0 CHADMN CCCOc1ccc(C)c(-c2cc3[nH]nnc3cc2F)c1 ZINC001222179280 1135205554 /nfs/dbraw/zinc/20/55/54/1135205554.db2.gz NKFHLXMWVILJNR-UHFFFAOYSA-N 0 1 285.322 3.861 20 0 CHADMN COCc1ccc(Cl)c(-c2cccn3cncc23)c1 ZINC001222273893 1135216946 /nfs/dbraw/zinc/21/69/46/1135216946.db2.gz LABWKYICOMVEOJ-UHFFFAOYSA-N 0 1 272.735 3.801 20 0 CHADMN FC(F)(F)Oc1cccc(-c2cccn3cncc23)c1 ZINC001222332025 1135227754 /nfs/dbraw/zinc/22/77/54/1135227754.db2.gz UTMOJOWMEYMUHU-UHFFFAOYSA-N 0 1 278.233 3.900 20 0 CHADMN Cn1cc(-c2ccc3[nH]cnc3c2)c(-c2ccccc2)n1 ZINC001222529738 1135248928 /nfs/dbraw/zinc/24/89/28/1135248928.db2.gz BIEPVAZPENNZEH-UHFFFAOYSA-N 0 1 274.327 3.630 20 0 CHADMN c1cc(CO[C@H]2CCN3Cc4ccccc4N=C23)cs1 ZINC001223335672 1135329235 /nfs/dbraw/zinc/32/92/35/1135329235.db2.gz HJVYLSHLTWDCBU-HNNXBMFYSA-N 0 1 284.384 3.583 20 0 CHADMN Clc1ccc(CN2CC[C@H](OCc3ccoc3)C2)cc1 ZINC001223786151 1135384195 /nfs/dbraw/zinc/38/41/95/1135384195.db2.gz RCSBCFZQXCRAKB-INIZCTEOSA-N 0 1 291.778 3.724 20 0 CHADMN CC[C@@H](C)CO[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001224667460 1135467566 /nfs/dbraw/zinc/46/75/66/1135467566.db2.gz GYYZDRQVYOTDAO-GDBMZVCRSA-N 0 1 279.399 3.853 20 0 CHADMN CC[C@H](C)CO[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001224667462 1135467751 /nfs/dbraw/zinc/46/77/51/1135467751.db2.gz GYYZDRQVYOTDAO-HOCLYGCPSA-N 0 1 279.399 3.853 20 0 CHADMN CC(C)=CCC[C@H](C)CCO[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001224710160 1135473057 /nfs/dbraw/zinc/47/30/57/1135473057.db2.gz PYKJCKAZSCRFLB-CWLKWCNXSA-N 0 1 293.451 3.580 20 0 CHADMN Fc1ccccc1CN1CCC[C@H](OCCC2CC2)C1 ZINC001224761091 1135479607 /nfs/dbraw/zinc/47/96/07/1135479607.db2.gz HPDJRZQQTJAVPD-INIZCTEOSA-N 0 1 277.383 3.607 20 0 CHADMN Cc1ccccc1O[C@@H]1CC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001225216871 1135516013 /nfs/dbraw/zinc/51/60/13/1135516013.db2.gz NQVNOZWPDQRQNZ-HZPDHXFCSA-N 0 1 282.387 3.604 20 0 CHADMN [S-]c1ccccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001225583311 1135590866 /nfs/dbraw/zinc/59/08/66/1135590866.db2.gz DPBMKCOJRWSPRV-OAHLLOKOSA-N 0 1 285.412 3.629 20 0 CHADMN CCN1CC[C@@H](Oc2cccc(C(F)(F)F)c2Cl)C1 ZINC001225887611 1135634060 /nfs/dbraw/zinc/63/40/60/1135634060.db2.gz CKAVWLWIJIULGF-SECBINFHSA-N 0 1 293.716 3.832 20 0 CHADMN CC(=O)c1ccc2ccccc2c1O[C@@H]1CN2CCC1CC2 ZINC001226034383 1135655274 /nfs/dbraw/zinc/65/52/74/1135655274.db2.gz SYKUTVBPSXSBBJ-GOSISDBHSA-N 0 1 295.382 3.515 20 0 CHADMN CC(=O)c1ccc2ccccc2c1O[C@H]1CCCN(C)C1 ZINC001226034251 1135655422 /nfs/dbraw/zinc/65/54/22/1135655422.db2.gz RUWJHXMBXPHZGY-HNNXBMFYSA-N 0 1 283.371 3.515 20 0 CHADMN CCCC1CCC(Oc2n[nH]c3ncccc23)CC1 ZINC001226301630 1135681943 /nfs/dbraw/zinc/68/19/43/1135681943.db2.gz CRYWGIQLJFVWRL-UHFFFAOYSA-N 0 1 259.353 3.696 20 0 CHADMN c1cnc2[nH]nc(O[C@H]3Cc4cccc5cccc3c45)c2c1 ZINC001226302956 1135682740 /nfs/dbraw/zinc/68/27/40/1135682740.db2.gz PZRAXQKAATWART-HNNXBMFYSA-N 0 1 287.322 3.787 20 0 CHADMN C[C@@H](COc1cc(N)nc2ccccc21)Oc1ccccc1 ZINC001226421930 1135694735 /nfs/dbraw/zinc/69/47/35/1135694735.db2.gz HEXPJJPMHSIQBV-ZDUSSCGKSA-N 0 1 294.354 3.663 20 0 CHADMN C[C@@H](Cc1ccccc1)Oc1cc(N)nc2ccccc21 ZINC001226419401 1135694856 /nfs/dbraw/zinc/69/48/56/1135694856.db2.gz UZYDBQAUVXUZAM-ZDUSSCGKSA-N 0 1 278.355 3.827 20 0 CHADMN Cc1ccc2nc(OC(C(F)(F)F)C(F)(F)F)[nH]c2c1 ZINC001226505806 1135705235 /nfs/dbraw/zinc/70/52/35/1135705235.db2.gz IXKWBFPAIAPERC-UHFFFAOYSA-N 0 1 298.186 3.743 20 0 CHADMN O=C1CC[C@H](Oc2ccc3nc[nH]c3c2)c2ccccc21 ZINC001226928636 1135761638 /nfs/dbraw/zinc/76/16/38/1135761638.db2.gz OITXRJLFUNUUNQ-KRWDZBQOSA-N 0 1 278.311 3.660 20 0 CHADMN COc1ccc2c(c1)CC[C@H](Oc1ccc3nc[nH]c3c1)C2 ZINC001226929540 1135762913 /nfs/dbraw/zinc/76/29/13/1135762913.db2.gz HZTPEOPKKBIDRC-HNNXBMFYSA-N 0 1 294.354 3.508 20 0 CHADMN CC(C)N1CCC[C@@H](Oc2cc(F)ccc2Cl)C1 ZINC001226979343 1135770798 /nfs/dbraw/zinc/77/07/98/1135770798.db2.gz KZRZGHVBZLHRKN-GFCCVEGCSA-N 0 1 271.763 3.731 20 0 CHADMN C[C@H](Oc1nc2ccc(Cl)cc2[nH]1)c1ccncc1 ZINC001227262589 1135812679 /nfs/dbraw/zinc/81/26/79/1135812679.db2.gz SVWOZMCBWFETOY-VIFPVBQESA-N 0 1 273.723 3.751 20 0 CHADMN C[C@@H]1c2cnccc2C[C@@H]1Oc1nc2ccc(Cl)cc2[nH]1 ZINC001227266807 1135813150 /nfs/dbraw/zinc/81/31/50/1135813150.db2.gz QCVBDUDEBYNWPZ-PSLIRLAXSA-N 0 1 299.761 3.719 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1csc(C)n1 ZINC000354989074 529459309 /nfs/dbraw/zinc/45/93/09/529459309.db2.gz UZJJCWNQLALKCZ-CBAPKCEASA-N 0 1 266.332 3.833 20 0 CHADMN CC[C@@H](CN(C)Cc1nccs1)c1ccccc1 ZINC000353773476 529471793 /nfs/dbraw/zinc/47/17/93/529471793.db2.gz DDLRGTSDZNMOJV-ZDUSSCGKSA-N 0 1 260.406 3.769 20 0 CHADMN CCn1ccnc1CN1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000352800734 529569649 /nfs/dbraw/zinc/56/96/49/529569649.db2.gz IBZGERWLONZEKJ-DOTOQJQBSA-N 0 1 283.419 3.876 20 0 CHADMN CCc1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)cn1 ZINC000347878949 529642640 /nfs/dbraw/zinc/64/26/40/529642640.db2.gz MJOCIUFUEQGIQO-JKSUJKDBSA-N 0 1 276.449 3.504 20 0 CHADMN CCc1ccc(CN2C[C@@H](C)[C@H]2c2ccccc2)cn1 ZINC000347907993 529645548 /nfs/dbraw/zinc/64/55/48/529645548.db2.gz GJPDQOYNHHWLNY-KDOFPFPSSA-N 0 1 266.388 3.837 20 0 CHADMN CCc1ccc(CNCc2cc(F)ccc2SC)cn1 ZINC000352759605 529653663 /nfs/dbraw/zinc/65/36/63/529653663.db2.gz KPKXGHFRLNMZRR-UHFFFAOYSA-N 0 1 290.407 3.795 20 0 CHADMN CCc1ccc(CNCc2oc3ccccc3c2C)cn1 ZINC000352765387 529654381 /nfs/dbraw/zinc/65/43/81/529654381.db2.gz JTSSTHVPNGAUDL-UHFFFAOYSA-N 0 1 280.371 3.988 20 0 CHADMN CCc1ccc(CN[C@@H]2CCCc3c(O)cccc32)cn1 ZINC000352708430 529655969 /nfs/dbraw/zinc/65/59/69/529655969.db2.gz WYCVMOXXAXLFEW-QGZVFWFLSA-N 0 1 282.387 3.517 20 0 CHADMN CC[C@H](NCc1cnn(-c2ccccc2)c1)c1ccncc1 ZINC000344533945 529635953 /nfs/dbraw/zinc/63/59/53/529635953.db2.gz QELSYQLQUBFYSH-SFHVURJKSA-N 0 1 292.386 3.508 20 0 CHADMN CCc1ccc(CN(CC)Cc2cccs2)cn1 ZINC000347604772 529636967 /nfs/dbraw/zinc/63/69/67/529636967.db2.gz DVEGPIOIYYYVIZ-UHFFFAOYSA-N 0 1 260.406 3.728 20 0 CHADMN CCc1nc(CN2CCC[C@@](C)(CC)C2)cs1 ZINC000353705952 529736073 /nfs/dbraw/zinc/73/60/73/529736073.db2.gz ORYHACCBOMOUTC-CQSZACIVSA-N 0 1 252.427 3.718 20 0 CHADMN CCc1nc(CN2CCC[C@@H](CC)CC2)cs1 ZINC000353710152 529736187 /nfs/dbraw/zinc/73/61/87/529736187.db2.gz LOYNKUZGASQJEU-GFCCVEGCSA-N 0 1 252.427 3.718 20 0 CHADMN c1ccc(-c2noc(CN[C@@H]3CCCC34CCC4)n2)cc1 ZINC000573653163 334954782 /nfs/dbraw/zinc/95/47/82/334954782.db2.gz AAAMLPWYVXBSRA-CQSZACIVSA-N 0 1 283.375 3.549 20 0 CHADMN CN(Cc1csc2ccccc12)Cc1cccnc1N ZINC000347738057 530019802 /nfs/dbraw/zinc/01/98/02/530019802.db2.gz MSZSQEUFNIYWDE-UHFFFAOYSA-N 0 1 283.400 3.511 20 0 CHADMN CC(C)SCCNCc1ncc(C(C)(C)C)s1 ZINC000342065539 535113617 /nfs/dbraw/zinc/11/36/17/535113617.db2.gz ACGYUZKRVOEXHT-UHFFFAOYSA-N 0 1 272.483 3.672 20 0 CHADMN Cc1ccc(CNCc2ccc3c(n2)CCCC3)cc1C ZINC000444018456 370691353 /nfs/dbraw/zinc/69/13/53/370691353.db2.gz VFSSYGPJIIEOEG-UHFFFAOYSA-N 0 1 280.415 3.867 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000300410475 260956337 /nfs/dbraw/zinc/95/63/37/260956337.db2.gz HVMFRHLGLABJSY-KKZNHRDASA-N 0 1 261.287 3.834 20 0 CHADMN C[C@H](N[C@H]1CCCc2sccc21)c1cncs1 ZINC000158302071 261162896 /nfs/dbraw/zinc/16/28/96/261162896.db2.gz BSXDRUJMCAKJBW-ONGXEEELSA-N 0 1 264.419 3.933 20 0 CHADMN CO[C@@H](C)c1noc(CN(CCC(C)C)CCC(C)C)n1 ZINC000175034707 261207424 /nfs/dbraw/zinc/20/74/24/261207424.db2.gz MDMHVIRZHIJFJT-AWEZNQCLSA-N 0 1 297.443 3.671 20 0 CHADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@H](C)[C@@H](C)C2CCCCC2)n1 ZINC000574581002 335031540 /nfs/dbraw/zinc/03/15/40/335031540.db2.gz LFZXLMUMIVCUFQ-MCIONIFRSA-N 0 1 291.439 3.746 20 0 CHADMN CC[C@@](C)(C(=O)[O-])[N@@H+](CCCCC(F)(F)F)CC1CC1 ZINC000574584327 335032121 /nfs/dbraw/zinc/03/21/21/335032121.db2.gz FRGVXXGLQCBDID-ZDUSSCGKSA-N 0 1 295.345 3.684 20 0 CHADMN CCn1nc(C)c(CNCc2sccc2Cl)c1C ZINC000574740612 335043596 /nfs/dbraw/zinc/04/35/96/335043596.db2.gz MZIHFZUHGJFYCV-UHFFFAOYSA-N 0 1 283.828 3.525 20 0 CHADMN COc1cc([C@H](C)NCc2ccccc2SC)ccn1 ZINC000347685926 533128916 /nfs/dbraw/zinc/12/89/16/533128916.db2.gz RWVULTWVNWYHQT-LBPRGKRZSA-N 0 1 288.416 3.663 20 0 CHADMN COc1ccc2nc(CN[C@@H]3C=CCCC3)sc2c1 ZINC000353733659 533347860 /nfs/dbraw/zinc/34/78/60/533347860.db2.gz AWNSKJZVPDLJHS-LLVKDONJSA-N 0 1 274.389 3.503 20 0 CHADMN COc1ccc2oc(CN(C)Cc3cccc(C)n3)cc2c1 ZINC000353750763 533354180 /nfs/dbraw/zinc/35/41/80/533354180.db2.gz ZJHUHNRTZPUSET-UHFFFAOYSA-N 0 1 296.370 3.777 20 0 CHADMN COc1c(O)cccc1CN(Cc1ccccc1)C1CC1 ZINC000352618377 533443540 /nfs/dbraw/zinc/44/35/40/533443540.db2.gz PLGSYSORSPNHRS-UHFFFAOYSA-N 0 1 283.371 3.565 20 0 CHADMN C[C@@H](NCc1ccccc1F)c1ccccc1-n1cccn1 ZINC000347946270 533460309 /nfs/dbraw/zinc/46/03/09/533460309.db2.gz XIJZVOLMLKRPMM-CQSZACIVSA-N 0 1 295.361 3.862 20 0 CHADMN C[C@@H](N[C@H](C)c1cc2cccc(F)c2o1)c1cnn(C)c1 ZINC000353381146 533532402 /nfs/dbraw/zinc/53/24/02/533532402.db2.gz LWXFGCDIQLYWAO-GHMZBOCLSA-N 0 1 287.338 3.717 20 0 CHADMN C[C@@H](Nc1ccnc2cc(F)ccc21)C1CCOCC1 ZINC000301665067 533562693 /nfs/dbraw/zinc/56/26/93/533562693.db2.gz LOLGNQKSVSLSNF-LLVKDONJSA-N 0 1 274.339 3.601 20 0 CHADMN Cc1cc(CN2CCOC[C@@H]2CC(C)C)c(C)s1 ZINC000353614952 533618434 /nfs/dbraw/zinc/61/84/34/533618434.db2.gz UYZLWDNFZHKHAZ-HNNXBMFYSA-N 0 1 267.438 3.612 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H](C)c1cccc(C)c1 ZINC000353561404 533669999 /nfs/dbraw/zinc/66/99/99/533669999.db2.gz KAKYSRZBIVCIEZ-SECBINFHSA-N 0 1 293.317 3.706 20 0 CHADMN CC(C)[C@H](NCc1cncn1C)c1cc2ccccc2o1 ZINC000341865803 130080768 /nfs/dbraw/zinc/08/07/68/130080768.db2.gz KIRULHDYIMYMJY-KRWDZBQOSA-N 0 1 283.375 3.653 20 0 CHADMN CN(CCCCCF)Cc1nc2ccccc2s1 ZINC000341837802 130082396 /nfs/dbraw/zinc/08/23/96/130082396.db2.gz WHFNYBJILPGIFV-UHFFFAOYSA-N 0 1 266.385 3.868 20 0 CHADMN Fc1ccc(CN[C@H]2CCCc3cc(F)ccc32)nc1 ZINC000341842207 130086040 /nfs/dbraw/zinc/08/60/40/130086040.db2.gz UWRDTGOTIQRIPF-INIZCTEOSA-N 0 1 274.314 3.527 20 0 CHADMN Fc1c(Cl)cccc1CN1CCC[C@H]1[C@H]1CCCO1 ZINC000342043020 130216759 /nfs/dbraw/zinc/21/67/59/130216759.db2.gz FXKOEIMETLITSF-UONOGXRCSA-N 0 1 283.774 3.623 20 0 CHADMN CC(C)OCCCN(C)[C@@H](C)c1cc(F)ccc1F ZINC000171499431 335067334 /nfs/dbraw/zinc/06/73/34/335067334.db2.gz VARHSSTYOVVCAH-LBPRGKRZSA-N 0 1 271.351 3.773 20 0 CHADMN COc1ccc(CNCc2cccc3cc[nH]c32)c(F)c1 ZINC000344678592 533675617 /nfs/dbraw/zinc/67/56/17/533675617.db2.gz LZMPVNBJAYFVDN-UHFFFAOYSA-N 0 1 284.334 3.605 20 0 CHADMN C[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccccc1 ZINC000005171657 170073028 /nfs/dbraw/zinc/07/30/28/170073028.db2.gz XXFIZCFRBXAOTA-JTQLQIEISA-N 0 1 275.735 3.537 20 0 CHADMN CCOc1ccc2nc(-c3nc4ccccc4o3)[nH]c2c1 ZINC000005939711 170159323 /nfs/dbraw/zinc/15/93/23/170159323.db2.gz FVXNFNJILABVSN-UHFFFAOYSA-N 0 1 279.299 3.770 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@@H](C)c1ccncc1 ZINC000020121442 171000077 /nfs/dbraw/zinc/00/00/77/171000077.db2.gz AYLNQBXDQGZJLF-KBPBESRZSA-N 0 1 270.376 3.892 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccncc2)c(OC)c1 ZINC000020121517 171001166 /nfs/dbraw/zinc/00/11/66/171001166.db2.gz WZJRHOFGMKSNPP-STQMWFEESA-N 0 1 286.375 3.511 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccccn2)cc1 ZINC000020123401 171003968 /nfs/dbraw/zinc/00/39/68/171003968.db2.gz GBYJDWHKTMNWIP-CHWSQXEVSA-N 0 1 256.349 3.502 20 0 CHADMN CC[C@H](N[C@H](C)c1ccccn1)c1ccc(OC)cc1 ZINC000020123574 171004588 /nfs/dbraw/zinc/00/45/88/171004588.db2.gz YZMPROWKKMCWQU-CJNGLKHVSA-N 0 1 270.376 3.892 20 0 CHADMN C[C@@H](N[C@@H]1CCSc2ccccc21)c1ccccn1 ZINC000020123500 171004874 /nfs/dbraw/zinc/00/48/74/171004874.db2.gz MDFVNKPYBSFMRM-IUODEOHRSA-N 0 1 270.401 3.969 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccn1)c1ccc(F)c(F)c1 ZINC000020123548 171005076 /nfs/dbraw/zinc/00/50/76/171005076.db2.gz WQANCAYKEGTQOB-GHMZBOCLSA-N 0 1 262.303 3.772 20 0 CHADMN C[C@H](NCc1cc2ccccc2o1)c1cccnc1 ZINC000020127938 171013679 /nfs/dbraw/zinc/01/36/79/171013679.db2.gz QWXMTVXKTZUPAO-LBPRGKRZSA-N 0 1 252.317 3.679 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)c2ccc(C)o2)c1 ZINC000020187601 171052505 /nfs/dbraw/zinc/05/25/05/171052505.db2.gz UPPUVZPVFLRFHT-OLZOCXBDSA-N 0 1 286.375 3.958 20 0 CHADMN CCN(Cc1ccccc1)Cc1ccc(N)cc1Cl ZINC000020192787 171058824 /nfs/dbraw/zinc/05/88/24/171058824.db2.gz QPGXPCDRDXEZKL-UHFFFAOYSA-N 0 1 274.795 3.944 20 0 CHADMN COc1ccc(OC)c(CNCc2ccc(Cl)cc2)c1 ZINC000020209864 171073144 /nfs/dbraw/zinc/07/31/44/171073144.db2.gz ZJVZNRCHBKXRHJ-UHFFFAOYSA-N 0 1 291.778 3.647 20 0 CHADMN Cc1ccc(CN(C)C(=O)c2ccc(O)c(Cl)c2)cc1 ZINC000020264820 171121854 /nfs/dbraw/zinc/12/18/54/171121854.db2.gz UIEKTFIQARDULV-UHFFFAOYSA-N 0 1 289.762 3.626 20 0 CHADMN CC(C)CCC[C@H](C)NCc1cnn(-c2ccccc2)n1 ZINC000021517062 171313245 /nfs/dbraw/zinc/31/32/45/171313245.db2.gz JGFSFYGINKOGRN-HNNXBMFYSA-N 0 1 286.423 3.572 20 0 CHADMN COc1ccc(Cl)cc1CN[C@H](C)c1cccnc1 ZINC000035180234 172033319 /nfs/dbraw/zinc/03/33/19/172033319.db2.gz GQGYEBICOPLINZ-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN COc1ccc(Cl)cc1CN[C@H](C)c1ccncc1 ZINC000035180215 172033786 /nfs/dbraw/zinc/03/37/86/172033786.db2.gz JPMFZNRQKMXQFK-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000035219422 172060564 /nfs/dbraw/zinc/06/05/64/172060564.db2.gz VJAZJVWZECJGSD-FZMZJTMJSA-N 0 1 293.794 3.840 20 0 CHADMN C[C@@H](N[C@@H]1CSCc2ccccc21)c1ccncc1 ZINC000037217964 173035834 /nfs/dbraw/zinc/03/58/34/173035834.db2.gz VILUYZOJGZKFRP-MLGOLLRUSA-N 0 1 270.401 3.720 20 0 CHADMN Fc1ccc(F)c(CN[C@@H]2CCc3ccccc32)c1 ZINC000037233174 173052225 /nfs/dbraw/zinc/05/22/25/173052225.db2.gz YLQNGUBNXHLMTB-MRXNPFEDSA-N 0 1 259.299 3.742 20 0 CHADMN Cc1c([C@@H](C)NCc2cc(Cl)cc(Cl)c2)cnn1C ZINC000037424686 173199150 /nfs/dbraw/zinc/19/91/50/173199150.db2.gz CKPAOSROGITOIJ-SECBINFHSA-N 0 1 298.217 3.886 20 0 CHADMN CSc1ccc(CN2CCc3c(N)cccc3C2)cc1 ZINC000038032707 174029746 /nfs/dbraw/zinc/02/97/46/174029746.db2.gz KQKJVUWFVMGASJ-UHFFFAOYSA-N 0 1 284.428 3.549 20 0 CHADMN Cc1ncc(CNCc2ccc(C(F)(F)F)cc2)s1 ZINC000040437482 174262553 /nfs/dbraw/zinc/26/25/53/174262553.db2.gz AWGJOJOLTQWGCJ-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2ccc(Br)s2)C1 ZINC000043677591 175088886 /nfs/dbraw/zinc/08/88/86/175088886.db2.gz HAOZBISQYOESQI-UWVGGRQHSA-N 0 1 288.254 3.989 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(Br)s2)C1 ZINC000043680934 175091136 /nfs/dbraw/zinc/09/11/36/175091136.db2.gz XTVSJPJFFQTSPH-SECBINFHSA-N 0 1 274.227 3.743 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1CCCCc1ccccc1 ZINC000575138830 335071840 /nfs/dbraw/zinc/07/18/40/335071840.db2.gz OAGZOLPIZMEVRE-VYDXJSESSA-N 0 1 289.419 3.583 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ncccc2C)cc1 ZINC000071338913 176129402 /nfs/dbraw/zinc/12/94/02/176129402.db2.gz IZQCWDSBWRUWAO-CQSZACIVSA-N 0 1 254.377 3.803 20 0 CHADMN COc1cccc(-c2nc(CN(C)C(C)(C)C)co2)c1 ZINC000072102185 176315922 /nfs/dbraw/zinc/31/59/22/176315922.db2.gz LEOGFVQIHVJMTL-UHFFFAOYSA-N 0 1 274.364 3.581 20 0 CHADMN Fc1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000078481336 177345082 /nfs/dbraw/zinc/34/50/82/177345082.db2.gz PEDIQJSDHIPJLC-INIZCTEOSA-N 0 1 299.345 3.892 20 0 CHADMN CCCN(Cc1cnc(-c2ccccc2)[nH]1)CC(F)F ZINC000179799753 260072164 /nfs/dbraw/zinc/07/21/64/260072164.db2.gz QWQGJZPQHWXRCQ-UHFFFAOYSA-N 0 1 279.334 3.554 20 0 CHADMN COCCN[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000179972451 260084529 /nfs/dbraw/zinc/08/45/29/260084529.db2.gz NRZOHSHFPRHRNQ-MRXNPFEDSA-N 0 1 293.769 3.805 20 0 CHADMN Cc1ccc2nc(NC(=O)CCc3cccs3)[nH]c2c1 ZINC000344478201 225070905 /nfs/dbraw/zinc/07/09/05/225070905.db2.gz PQVPPVPCFLOARL-UHFFFAOYSA-N 0 1 285.372 3.504 20 0 CHADMN c1cc(-c2nc(CN[C@@H]3CCCSC3)cs2)cs1 ZINC000344718844 225157654 /nfs/dbraw/zinc/15/76/54/225157654.db2.gz FKNFZTJYBDPJCR-LLVKDONJSA-N 0 1 296.486 3.857 20 0 CHADMN C[C@H](c1cccnc1)[N@H+]1CCSC2(CCC2)CC1 ZINC000334635106 225183104 /nfs/dbraw/zinc/18/31/04/225183104.db2.gz CHXJBEVMNYQOAW-CYBMUJFWSA-N 0 1 262.422 3.504 20 0 CHADMN C[C@H](Cc1ccoc1)NCc1coc(-c2ccccc2)n1 ZINC000344903021 225197311 /nfs/dbraw/zinc/19/73/11/225197311.db2.gz UJEOUABHVZJANG-CYBMUJFWSA-N 0 1 282.343 3.655 20 0 CHADMN FC1(F)CC(CN2CC3(CCC3)[C@H]2c2ccco2)C1 ZINC000334700085 225279229 /nfs/dbraw/zinc/27/92/29/225279229.db2.gz UOBDHQMEQDBSQH-CYBMUJFWSA-N 0 1 267.319 3.852 20 0 CHADMN Cc1nc([C@@H](C)N2CCC[C@@]3(CCSC3)C2)cs1 ZINC000334667548 225239141 /nfs/dbraw/zinc/23/91/41/225239141.db2.gz DBIFDNKZFJIKSM-BXUZGUMPSA-N 0 1 282.478 3.732 20 0 CHADMN Cc1nc([C@@H](C)N2CCC[C@]3(CCSC3)C2)cs1 ZINC000334667550 225239428 /nfs/dbraw/zinc/23/94/28/225239428.db2.gz DBIFDNKZFJIKSM-RISCZKNCSA-N 0 1 282.478 3.732 20 0 CHADMN Cc1occc1CN1CCC[C@@H]1c1cccc(C)n1 ZINC000334840571 225332037 /nfs/dbraw/zinc/33/20/37/225332037.db2.gz HXSSHGCMDNCVCH-MRXNPFEDSA-N 0 1 256.349 3.629 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2COCc3ccccc32)cs1 ZINC000334908750 225361955 /nfs/dbraw/zinc/36/19/55/225361955.db2.gz NBZVXONDEAKGQF-BLLLJJGKSA-N 0 1 273.401 3.979 20 0 CHADMN C[C@@H]1CC(C)(C)CN1Cc1cnc([C@@H]2CCCO2)s1 ZINC000335264472 226098175 /nfs/dbraw/zinc/09/81/75/226098175.db2.gz ZXLDUIYLGHVWMV-YPMHNXCESA-N 0 1 280.437 3.615 20 0 CHADMN C[C@H]1CC(C)(C)CN1Cc1cnc([C@@H]2CCCO2)s1 ZINC000335264469 226098296 /nfs/dbraw/zinc/09/82/96/226098296.db2.gz ZXLDUIYLGHVWMV-AAEUAGOBSA-N 0 1 280.437 3.615 20 0 CHADMN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1nccs1 ZINC000347591393 226211433 /nfs/dbraw/zinc/21/14/33/226211433.db2.gz ZMRPNVVHXSCKRB-NWDGAFQWSA-N 0 1 252.427 3.790 20 0 CHADMN CN(C)Cc1cnc(/C=C/c2ccc3ccccc3n2)s1 ZINC000349105821 226546109 /nfs/dbraw/zinc/54/61/09/226546109.db2.gz HNFIXZACXMXCGG-MDZDMXLPSA-N 0 1 295.411 3.923 20 0 CHADMN Clc1cnc(CNCCc2cccc(Cl)c2)s1 ZINC000349606226 226787295 /nfs/dbraw/zinc/78/72/95/226787295.db2.gz ALTNOYDSQQWVQS-UHFFFAOYSA-N 0 1 287.215 3.782 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc3n[nH]cc3c2)o1 ZINC000353976206 227013851 /nfs/dbraw/zinc/01/38/51/227013851.db2.gz WZOJUMLVAVVUCQ-NWDGAFQWSA-N 0 1 269.348 3.876 20 0 CHADMN c1oc2ccccc2c1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000354716656 227080615 /nfs/dbraw/zinc/08/06/15/227080615.db2.gz YEWCNGDCHDLFEL-ROUUACIJSA-N 0 1 283.371 3.576 20 0 CHADMN CCCNC(=O)CN(CCC)[C@@H](C)c1ccc(Cl)cc1 ZINC000575217805 335082960 /nfs/dbraw/zinc/08/29/60/335082960.db2.gz BWUGXFHSAQADLM-ZDUSSCGKSA-N 0 1 296.842 3.639 20 0 CHADMN CC(C)CN(Cc1noc(-c2ccccc2)n1)C(C)C ZINC000171883581 335083768 /nfs/dbraw/zinc/08/37/68/335083768.db2.gz GRZDBSXIPWJZLW-UHFFFAOYSA-N 0 1 273.380 3.603 20 0 CHADMN c1cc(CN(Cc2ccccc2)C[C@H]2CCCO2)cs1 ZINC000352675004 227154545 /nfs/dbraw/zinc/15/45/45/227154545.db2.gz CLNSYQSLCXLNBZ-QGZVFWFLSA-N 0 1 287.428 3.929 20 0 CHADMN Cc1cccc(NCCc2ccc3ccccc3n2)n1 ZINC000354858339 227175376 /nfs/dbraw/zinc/17/53/76/227175376.db2.gz BGXANOZDNWYFJD-UHFFFAOYSA-N 0 1 263.344 3.593 20 0 CHADMN Cc1ccoc1CN(C)Cc1cccc(OC(F)F)c1 ZINC000352723159 227190445 /nfs/dbraw/zinc/19/04/45/227190445.db2.gz CTHOYULCSJWUBX-UHFFFAOYSA-N 0 1 281.302 3.821 20 0 CHADMN Cc1c[nH]nc1CN[C@H]1CC(C)(C)CCc2ccccc21 ZINC000352863294 227347097 /nfs/dbraw/zinc/34/70/97/227347097.db2.gz UIZJKKOBHQVGDQ-INIZCTEOSA-N 0 1 283.419 3.912 20 0 CHADMN c1ccc2oc([C@@H]3CCCCN3C[C@H]3CCCO3)nc2c1 ZINC000335917331 228017610 /nfs/dbraw/zinc/01/76/10/228017610.db2.gz YICHJDWSQIPPKM-HIFRSBDPSA-N 0 1 286.375 3.534 20 0 CHADMN CCc1nn(C)cc1CN[C@@H](CCC(C)C)c1ccoc1 ZINC000353408144 228097559 /nfs/dbraw/zinc/09/75/59/228097559.db2.gz YVWWSIOICKKNEH-KRWDZBQOSA-N 0 1 289.423 3.843 20 0 CHADMN FC(F)[C@@H]1C[C@@H]1NCc1ccc(Sc2ccccn2)o1 ZINC000353489499 228110361 /nfs/dbraw/zinc/11/03/61/228110361.db2.gz CEYZDBYFWGCYDP-MNOVXSKESA-N 0 1 296.342 3.569 20 0 CHADMN CCc1nnc(CN[C@@H](C)C[C@@H](C)CC(C)C)s1 ZINC000353550931 228118955 /nfs/dbraw/zinc/11/89/55/228118955.db2.gz STQYCRFTUQAIFT-RYUDHWBXSA-N 0 1 269.458 3.651 20 0 CHADMN CCc1nnc(CN[C@@H](C)C[C@H](C)CC(C)C)s1 ZINC000353550929 228119181 /nfs/dbraw/zinc/11/91/81/228119181.db2.gz STQYCRFTUQAIFT-NEPJUHHUSA-N 0 1 269.458 3.651 20 0 CHADMN C[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2)CCS1 ZINC000353322788 228085266 /nfs/dbraw/zinc/08/52/66/228085266.db2.gz CMNXIZCPQRZECP-SNVBAGLBSA-N 0 1 291.338 3.523 20 0 CHADMN [O-]c1ccc(F)c(C[NH2+]CC2CCC(F)(F)CC2)c1F ZINC000353347544 228089126 /nfs/dbraw/zinc/08/91/26/228089126.db2.gz GFTZFIIHYGSJHS-UHFFFAOYSA-N 0 1 291.288 3.586 20 0 CHADMN Cc1ccncc1CN(C)CCOc1ccc(Cl)cc1 ZINC000353378360 228092280 /nfs/dbraw/zinc/09/22/80/228092280.db2.gz GTRRFWLIAPKBLJ-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN Cc1ccc(CN[C@H](C)c2nccc3ccccc32)cn1 ZINC000353387949 228093592 /nfs/dbraw/zinc/09/35/92/228093592.db2.gz OXFKSCWYGKJEKA-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN Cc1sccc1CN1CC(c2ccccc2F)C1 ZINC000353572739 228124520 /nfs/dbraw/zinc/12/45/20/228124520.db2.gz VXMCZIBLUXINCV-UHFFFAOYSA-N 0 1 261.365 3.795 20 0 CHADMN c1cc2ccc(CN[C@@H]3CCCOc4ccccc43)nc2[nH]1 ZINC000353609215 228130476 /nfs/dbraw/zinc/13/04/76/228130476.db2.gz JPRGGWZIDCCEEF-MRXNPFEDSA-N 0 1 293.370 3.566 20 0 CHADMN Clc1ccc2c(c1)[C@H](NCc1ccc3cc[nH]c3n1)CC2 ZINC000353616281 228132212 /nfs/dbraw/zinc/13/22/12/228132212.db2.gz ZZQUAQFDAXWKKB-MRXNPFEDSA-N 0 1 297.789 3.993 20 0 CHADMN COc1cc([C@H](C)NCc2ccc3cc[nH]c3n2)ccc1F ZINC000353627416 228134550 /nfs/dbraw/zinc/13/45/50/228134550.db2.gz KHDPRNCZBATEPU-NSHDSACASA-N 0 1 299.349 3.561 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc3ncccc3c2)n1 ZINC000353751943 228151041 /nfs/dbraw/zinc/15/10/41/228151041.db2.gz QQHWAYWPPQPJNA-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Cc1cccc(CN(C)Cc2cc(C)c(C)cc2C)n1 ZINC000353751872 228151158 /nfs/dbraw/zinc/15/11/58/228151158.db2.gz KTHUYAHHXXVPGQ-UHFFFAOYSA-N 0 1 268.404 3.947 20 0 CHADMN O=C1CCC(CN2CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000336190364 228209068 /nfs/dbraw/zinc/20/90/68/228209068.db2.gz BYTFXGIHIWFFQN-INIZCTEOSA-N 0 1 277.795 3.846 20 0 CHADMN O=C1CCC(CN2CC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000336190370 228209105 /nfs/dbraw/zinc/20/91/05/228209105.db2.gz BYTFXGIHIWFFQN-MRXNPFEDSA-N 0 1 277.795 3.846 20 0 CHADMN C[C@H]1C[C@H]1CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000353804679 228154605 /nfs/dbraw/zinc/15/46/05/228154605.db2.gz FBMBIHKKKLSUMI-JQWIXIFHSA-N 0 1 283.375 3.815 20 0 CHADMN C[C@H]1SCCN(Cc2ccco2)[C@H]1c1ccccc1 ZINC000353802748 228154771 /nfs/dbraw/zinc/15/47/71/228154771.db2.gz IPQNDADWJCKWRH-CZUORRHYSA-N 0 1 273.401 3.958 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](c2nccn2C)C2CC2)cc1 ZINC000353867868 228160931 /nfs/dbraw/zinc/16/09/31/228160931.db2.gz OOKULWVXGIXGNK-CZUORRHYSA-N 0 1 269.392 3.530 20 0 CHADMN Cc1cccc([C@H](C)N[C@H](c2nccn2C)C2CC2)c1 ZINC000353873258 228161103 /nfs/dbraw/zinc/16/11/03/228161103.db2.gz WRUIVOVRTFYSKX-BBRMVZONSA-N 0 1 269.392 3.530 20 0 CHADMN Cc1cc(CN2CCOC(C)(C)[C@@H]2C)c2ccccc2n1 ZINC000353876920 228161811 /nfs/dbraw/zinc/16/18/11/228161811.db2.gz ACDPZGWYLMZXKL-AWEZNQCLSA-N 0 1 284.403 3.543 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@@H](c2nccn2C)C2CC2)c1 ZINC000353883456 228162007 /nfs/dbraw/zinc/16/20/07/228162007.db2.gz UESGGKRNFCLEOA-WMLDXEAASA-N 0 1 283.419 3.839 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC(c3ccccc3)CC2)o1 ZINC000335947143 228168946 /nfs/dbraw/zinc/16/89/46/228168946.db2.gz ISWKBAFZOZNBLY-CQSZACIVSA-N 0 1 270.376 3.924 20 0 CHADMN C[C@@H](F)CCNC(C)(C)c1nc(C(F)(F)F)cs1 ZINC000351987319 228171187 /nfs/dbraw/zinc/17/11/87/228171187.db2.gz TZGCBEQLRXRFFQ-SSDOTTSWSA-N 0 1 284.322 3.735 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CC[C@@H](C)F)[C@H](C)CO1 ZINC000352023825 228175349 /nfs/dbraw/zinc/17/53/49/228175349.db2.gz AVBQHDKPKKTVAP-FMKPAKJESA-N 0 1 265.372 3.505 20 0 CHADMN COCCN(CCCCF)Cc1ccc(F)cc1Cl ZINC000352024532 228175721 /nfs/dbraw/zinc/17/57/21/228175721.db2.gz HNNPRHWKWZHHGT-UHFFFAOYSA-N 0 1 291.769 3.677 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H]1CCOc2c(C)cccc21 ZINC000336064171 228184533 /nfs/dbraw/zinc/18/45/33/228184533.db2.gz AVYNQTHSRKTDHM-RHSMWYFYSA-N 0 1 282.387 3.873 20 0 CHADMN C[C@@H](C(=O)Nc1ccccc1)N1CCC(C)(C2CC2)CC1 ZINC000352175937 228191805 /nfs/dbraw/zinc/19/18/05/228191805.db2.gz JRZYPJUABNCBDR-AWEZNQCLSA-N 0 1 286.419 3.526 20 0 CHADMN C[C@H]1CCCCN1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000336138069 228193984 /nfs/dbraw/zinc/19/39/84/228193984.db2.gz XDZWNPCDAHYHIU-NSHDSACASA-N 0 1 291.782 3.764 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1CCCc2c(F)cccc21 ZINC000336213154 228214995 /nfs/dbraw/zinc/21/49/95/228214995.db2.gz IEMMBRSAHSDPKN-MRXNPFEDSA-N 0 1 274.339 3.598 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc(O)c1)c1ccc2c(c1)OCO2 ZINC000036982027 260060288 /nfs/dbraw/zinc/06/02/88/260060288.db2.gz GJJLWJCVJJFGKP-RYUDHWBXSA-N 0 1 285.343 3.533 20 0 CHADMN C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000179801977 260072045 /nfs/dbraw/zinc/07/20/45/260072045.db2.gz VHDJSQMMOZCVJT-GFCCVEGCSA-N 0 1 283.350 3.895 20 0 CHADMN Cc1c([C@@H](C)N[C@@H]2CCSc3ccccc32)cnn1C ZINC000037167519 260073144 /nfs/dbraw/zinc/07/31/44/260073144.db2.gz SZCNFCOPAPYSGY-IAQYHMDHSA-N 0 1 287.432 3.616 20 0 CHADMN COCc1ccccc1CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000037500106 260113913 /nfs/dbraw/zinc/11/39/13/260113913.db2.gz KPZVPNWNWRARLN-DYVFJYSZSA-N 0 1 285.387 3.839 20 0 CHADMN CC[C@@H](NCc1cccnc1OC)c1cccc(Cl)c1 ZINC000037650358 260115118 /nfs/dbraw/zinc/11/51/18/260115118.db2.gz NRYNVIPYQRUAMT-OAHLLOKOSA-N 0 1 290.794 3.985 20 0 CHADMN COCc1ccccc1CN[C@H](C)c1ccc(C)o1 ZINC000037762573 260116023 /nfs/dbraw/zinc/11/60/23/260116023.db2.gz STDSIJVTQUGKEW-CYBMUJFWSA-N 0 1 259.349 3.585 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000517750998 260120573 /nfs/dbraw/zinc/12/05/73/260120573.db2.gz ZMGDTLXVRUPSJF-CYBMUJFWSA-N 0 1 279.380 3.687 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccccc1)c1cnc2ccsc2c1 ZINC000068692026 260146257 /nfs/dbraw/zinc/14/62/57/260146257.db2.gz RQZDKWQENXUBRH-LRDDRELGSA-N 0 1 298.411 3.681 20 0 CHADMN CC(C)C[C@H](N[C@@H](C)c1cnccn1)c1ccccc1 ZINC000070544229 260157922 /nfs/dbraw/zinc/15/79/22/260157922.db2.gz DRPRFZPVIRAJCE-HOCLYGCPSA-N 0 1 269.392 3.915 20 0 CHADMN Cc1nn(C)c(Cl)c1CN[C@@H]1CCCc2ccccc21 ZINC000075734464 260166196 /nfs/dbraw/zinc/16/61/96/260166196.db2.gz QKEHLEBESZMSCC-OAHLLOKOSA-N 0 1 289.810 3.549 20 0 CHADMN Cc1nc(C)c(CN[C@@H](C)c2ccc(F)c(F)c2)s1 ZINC000076865020 260166772 /nfs/dbraw/zinc/16/67/72/260166772.db2.gz XZBUDPAWFIXEMT-QMMMGPOBSA-N 0 1 282.359 3.889 20 0 CHADMN COCc1ccc(CN[C@H](C)c2ccc(F)cc2F)cc1 ZINC000078514462 260167878 /nfs/dbraw/zinc/16/78/78/260167878.db2.gz MZRYXWITRXFHIS-GFCCVEGCSA-N 0 1 291.341 3.962 20 0 CHADMN Clc1cc(CN[C@H]2CCO[C@H]2C2CC2)c(Cl)s1 ZINC000312619181 260183930 /nfs/dbraw/zinc/18/39/30/260183930.db2.gz TZSKYYLMKRVHDX-ONGXEEELSA-N 0 1 292.231 3.712 20 0 CHADMN CO[C@H](CNCc1csc(Cl)c1Cl)C(C)C ZINC000309666224 260184651 /nfs/dbraw/zinc/18/46/51/260184651.db2.gz UFNKBKZWNVJWDK-SECBINFHSA-N 0 1 282.236 3.816 20 0 CHADMN CC1(C)CCCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000087658464 260209248 /nfs/dbraw/zinc/20/92/48/260209248.db2.gz YXAXGIHDPATCIH-UHFFFAOYSA-N 0 1 281.783 3.698 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC000086725489 260209420 /nfs/dbraw/zinc/20/94/20/260209420.db2.gz DMGCRYSGELZXAO-QGZVFWFLSA-N 0 1 281.355 3.504 20 0 CHADMN COc1ccc(CN2CCC[C@H]2c2cccn2C)cc1F ZINC000057622651 260225270 /nfs/dbraw/zinc/22/52/70/260225270.db2.gz SBXHLHPVUYHELQ-INIZCTEOSA-N 0 1 288.366 3.510 20 0 CHADMN CC[C@H](NCc1cc(OC)cc(C)n1)c1cccs1 ZINC000214116458 260231954 /nfs/dbraw/zinc/23/19/54/260231954.db2.gz LCGMJQFZSVICCY-AWEZNQCLSA-N 0 1 276.405 3.701 20 0 CHADMN COC[C@@H](N[C@@H](C)c1cccc(F)c1)c1ccccc1 ZINC000089668860 260237632 /nfs/dbraw/zinc/23/76/32/260237632.db2.gz ZGUFEWMDCLRJER-SUMWQHHRSA-N 0 1 273.351 3.864 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(F)cn2)cc1 ZINC000092196157 260267991 /nfs/dbraw/zinc/26/79/91/260267991.db2.gz JRVGZTRFQYRKGO-OLZOCXBDSA-N 0 1 258.340 3.941 20 0 CHADMN Fc1cc2c(c(F)c1F)[C@H](N[C@@H]1C=CCCC1)CC2 ZINC000449187036 260285230 /nfs/dbraw/zinc/28/52/30/260285230.db2.gz DDJAHOVLMWRPAP-ZYHUDNBSSA-N 0 1 267.294 3.790 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cccc(C)c1F ZINC000449209219 260295837 /nfs/dbraw/zinc/29/58/37/260295837.db2.gz UJNUDUCWPRGCRH-CYBMUJFWSA-N 0 1 272.367 3.942 20 0 CHADMN Cc1cnc(CN[C@H]2C[C@H](OC(C)(C)C)C2(C)C)s1 ZINC000518117822 260343224 /nfs/dbraw/zinc/34/32/24/260343224.db2.gz HFGRGVRFDHMEED-RYUDHWBXSA-N 0 1 282.453 3.523 20 0 CHADMN C[C@H](c1ccc(Br)cc1)N1CCCCC1 ZINC000083442678 260350735 /nfs/dbraw/zinc/35/07/35/260350735.db2.gz BDISBPIAIZBDKU-LLVKDONJSA-N 0 1 268.198 3.996 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1ccncc1C ZINC000518306808 260373743 /nfs/dbraw/zinc/37/37/43/260373743.db2.gz NVPZPWQDPMCKLH-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)N[C@@H](C)c1cncs1 ZINC000128618270 260376587 /nfs/dbraw/zinc/37/65/87/260376587.db2.gz OFEMEOYYNUDFJS-NEPJUHHUSA-N 0 1 276.405 3.872 20 0 CHADMN CC(C)(C)C1CCC(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC000130294590 260395179 /nfs/dbraw/zinc/39/51/79/260395179.db2.gz FXZAUINEJDWXEK-KVULBXGLSA-N 0 1 281.440 3.636 20 0 CHADMN CCC1(CN[C@@H](C)c2ncc(Br)s2)CC1 ZINC000130503805 260396122 /nfs/dbraw/zinc/39/61/22/260396122.db2.gz NFGWTURJCRXNNM-QMMMGPOBSA-N 0 1 289.242 3.746 20 0 CHADMN COc1ccccc1[C@H](N[C@H](C)C1CC1)c1ccccn1 ZINC000090913233 260469051 /nfs/dbraw/zinc/46/90/51/260469051.db2.gz QKHAUZRVJLHGCN-ACJLOTCBSA-N 0 1 282.387 3.568 20 0 CHADMN CSc1cc(CN[C@H](C)c2ccc(F)c(F)c2)ccn1 ZINC000357845811 260503369 /nfs/dbraw/zinc/50/33/69/260503369.db2.gz BLTOFXZWOBLZNI-SNVBAGLBSA-N 0 1 294.370 3.933 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2)c(C)o1 ZINC000044730646 260647855 /nfs/dbraw/zinc/64/78/55/260647855.db2.gz HALWGZVYUVECJI-STQMWFEESA-N 0 1 286.375 3.574 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2ccc(Br)cn2)C1 ZINC000168124523 260846287 /nfs/dbraw/zinc/84/62/87/260846287.db2.gz BDDSPZSSXDHYDR-LLVKDONJSA-N 0 1 297.240 3.712 20 0 CHADMN CCCCc1noc(CN(CC)[C@H]2CCCC[C@H]2C)n1 ZINC000444673201 261062270 /nfs/dbraw/zinc/06/22/70/261062270.db2.gz IJXZANCBCPOIOI-KGLIPLIRSA-N 0 1 279.428 3.813 20 0 CHADMN CCc1nc2c(s1)[C@@H](N[C@H](C)c1ccccn1)CCC2 ZINC000152370426 261063592 /nfs/dbraw/zinc/06/35/92/261063592.db2.gz YVTBBVACBJDJAK-YPMHNXCESA-N 0 1 287.432 3.829 20 0 CHADMN c1csc(-c2nc(CN3C[C@H]4CCC[C@@H]4C3)co2)c1 ZINC000152815069 261070067 /nfs/dbraw/zinc/07/00/67/261070067.db2.gz YGFLQVSFRCZEBD-VXGBXAGGSA-N 0 1 274.389 3.635 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000153196956 261074798 /nfs/dbraw/zinc/07/47/98/261074798.db2.gz GEUHWUHMTSSZJW-BDJLRTHQSA-N 0 1 270.376 3.938 20 0 CHADMN CCN(CC(C)C)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000153712880 261081614 /nfs/dbraw/zinc/08/16/14/261081614.db2.gz ZKGCTVKFDTZHRH-CQSZACIVSA-N 0 1 287.407 3.699 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(C)cc3)c2C)o1 ZINC000161534466 261088463 /nfs/dbraw/zinc/08/84/63/261088463.db2.gz YOTBBMMYDQOAFV-UHFFFAOYSA-N 0 1 295.342 3.847 20 0 CHADMN CCOc1ccc(-c2nc(CN3CCC[C@@H]3C)co2)cc1 ZINC000154167560 261088560 /nfs/dbraw/zinc/08/85/60/261088560.db2.gz UQTXKXHUFZAPHM-ZDUSSCGKSA-N 0 1 286.375 3.725 20 0 CHADMN Cc1cscc1NS(=O)(=O)c1cccc(Cl)c1 ZINC000161610332 261098920 /nfs/dbraw/zinc/09/89/20/261098920.db2.gz WNDGDWBRSQWRNL-UHFFFAOYSA-N 0 1 287.793 3.511 20 0 CHADMN CC(C)(C)c1cnc(CN2CCCC2(C)C)s1 ZINC000448335267 261116839 /nfs/dbraw/zinc/11/68/39/261116839.db2.gz PXQPEHOGDJVONI-UHFFFAOYSA-N 0 1 252.427 3.815 20 0 CHADMN CCn1cc([C@@H](C)NCc2ccccc2OCC2CC2)cn1 ZINC000156230882 261117184 /nfs/dbraw/zinc/11/71/84/261117184.db2.gz KOTGZCPEFWJAHB-CQSZACIVSA-N 0 1 299.418 3.543 20 0 CHADMN COC[C@@H](N[C@H](C)c1sccc1C)c1ccc(C)o1 ZINC000156435265 261123087 /nfs/dbraw/zinc/12/30/87/261123087.db2.gz ZCDNKCNUNRYCHW-CHWSQXEVSA-N 0 1 279.405 3.996 20 0 CHADMN C[C@@H](O)C[C@H]1CCCCN1Cc1ccsc1Cl ZINC000448364790 261128686 /nfs/dbraw/zinc/12/86/86/261128686.db2.gz GTTQXAQOOMKDRI-ZYHUDNBSSA-N 0 1 273.829 3.527 20 0 CHADMN Cc1cccc(NC[C@H](c2ccccc2)C(C)(C)CO)n1 ZINC000158137524 261159056 /nfs/dbraw/zinc/15/90/56/261159056.db2.gz JKCVTLTVFVJYMK-MRXNPFEDSA-N 0 1 284.403 3.604 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccc([S@](C)=O)cc2)o1 ZINC000158157170 261160035 /nfs/dbraw/zinc/16/00/35/261160035.db2.gz IIKUCQVNZGKKIO-MTJIALIYSA-N 0 1 291.416 3.737 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2cc(-c3ccco3)on2)C1 ZINC000444766241 261167533 /nfs/dbraw/zinc/16/75/33/261167533.db2.gz GVRWWZZQGMHBEE-ZDUSSCGKSA-N 0 1 274.364 3.803 20 0 CHADMN C[C@H](N[C@@H](C)C1CCCC1)c1nc(Cc2ccccc2)no1 ZINC000173777554 261169403 /nfs/dbraw/zinc/16/94/03/261169403.db2.gz UOGXMUQRPHPDBU-KBPBESRZSA-N 0 1 299.418 3.890 20 0 CHADMN CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1cn(C)nc1C(F)F ZINC000361184934 261171951 /nfs/dbraw/zinc/17/19/51/261171951.db2.gz AAQRFBAODHYMTF-DGCLKSJQSA-N 0 1 285.382 3.758 20 0 CHADMN COc1ccc(F)cc1CN[C@H](C)c1ccccc1 ZINC000175556257 261232535 /nfs/dbraw/zinc/23/25/35/261232535.db2.gz LGPMVMSQLQTXBC-GFCCVEGCSA-N 0 1 259.324 3.685 20 0 CHADMN CC(C)CCNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000162195103 261273625 /nfs/dbraw/zinc/27/36/25/261273625.db2.gz BLGMHYOAGJNNIB-UHFFFAOYSA-N 0 1 296.321 3.668 20 0 CHADMN Cc1nc(C(C)C)sc1[C@H](C)N[C@H](C)c1cnn(C)c1 ZINC000163855254 261331911 /nfs/dbraw/zinc/33/19/11/261331911.db2.gz YVBFBJGVWKQSFB-MNOVXSKESA-N 0 1 292.452 3.720 20 0 CHADMN CCCCc1noc(CN2CC[C@@H](c3ccccc3)[C@@H]2C)n1 ZINC000177550252 261360551 /nfs/dbraw/zinc/36/05/51/261360551.db2.gz JJSGJFSGSNMFRE-GOEBONIOSA-N 0 1 299.418 3.790 20 0 CHADMN CC(C)Cc1noc(CN2CC[C@@H](c3ccccc3)[C@@H]2C)n1 ZINC000177539836 261361211 /nfs/dbraw/zinc/36/12/11/261361211.db2.gz XVGOBGGINOJJEO-GOEBONIOSA-N 0 1 299.418 3.646 20 0 CHADMN CC1(C)CCCN1Cc1coc(-c2c(F)cccc2F)n1 ZINC000178657392 261402372 /nfs/dbraw/zinc/40/23/72/261402372.db2.gz YXHZJXZKSKTRPJ-UHFFFAOYSA-N 0 1 292.329 3.994 20 0 CHADMN Brc1cccc2c1CC[C@H]2NCc1ccoc1 ZINC000171769852 261481251 /nfs/dbraw/zinc/48/12/51/261481251.db2.gz QRISAWGUODYFCV-CQSZACIVSA-N 0 1 292.176 3.819 20 0 CHADMN Cc1nn(C)c(Cl)c1CNC(C)(C)c1cccc(C)c1 ZINC000179587265 261800710 /nfs/dbraw/zinc/80/07/10/261800710.db2.gz KQLSEKZZIYJAPZ-UHFFFAOYSA-N 0 1 291.826 3.715 20 0 CHADMN CCCN(CCc1cccs1)Cc1nccs1 ZINC000184512667 262021930 /nfs/dbraw/zinc/02/19/30/262021930.db2.gz YJGNRCITQBOIBF-UHFFFAOYSA-N 0 1 266.435 3.659 20 0 CHADMN CC(C)Cc1ccc(CN[C@H](CCO)c2ccco2)cc1 ZINC000184514691 262022056 /nfs/dbraw/zinc/02/20/56/262022056.db2.gz MZUWKSURJGAVJE-QGZVFWFLSA-N 0 1 287.403 3.691 20 0 CHADMN CCn1cc([C@H](C)NCc2c(C)oc3ccccc32)cn1 ZINC000184723857 262027639 /nfs/dbraw/zinc/02/76/39/262027639.db2.gz MMSFUZBSMFDHAY-LBPRGKRZSA-N 0 1 283.375 3.808 20 0 CHADMN CCSc1cccc(CNCc2c(C)noc2C)c1 ZINC000185490823 262057244 /nfs/dbraw/zinc/05/72/44/262057244.db2.gz HNYXVHNPOIFXAH-UHFFFAOYSA-N 0 1 276.405 3.693 20 0 CHADMN CCc1nnc(CN[C@@H](C)C2(c3ccccc3)CCCC2)o1 ZINC000185951776 262072864 /nfs/dbraw/zinc/07/28/64/262072864.db2.gz JQRHWBIMIJUXNV-AWEZNQCLSA-N 0 1 299.418 3.622 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1ccccc1F ZINC000186079437 262078516 /nfs/dbraw/zinc/07/85/16/262078516.db2.gz MSCYZBVAQGUKMC-SNVBAGLBSA-N 0 1 265.353 3.747 20 0 CHADMN COc1ccsc1[C@H](C)NCc1ccc(OC)c(F)c1 ZINC000186095505 262079002 /nfs/dbraw/zinc/07/90/02/262079002.db2.gz FHZJHZBKCYIETL-JTQLQIEISA-N 0 1 295.379 3.755 20 0 CHADMN COC[C@@H](N[C@@H](C)c1sccc1OC)c1ccccc1 ZINC000186211979 262084384 /nfs/dbraw/zinc/08/43/84/262084384.db2.gz NURNRIBJVGQDTJ-GXTWGEPZSA-N 0 1 291.416 3.795 20 0 CHADMN Cc1cc(C)c([C@H](C)N[C@H](CCO)c2ccco2)cc1C ZINC000186541160 262097674 /nfs/dbraw/zinc/09/76/74/262097674.db2.gz PKACNBWOGSSTLF-DOTOQJQBSA-N 0 1 287.403 3.979 20 0 CHADMN COc1ccc(CN2CCO[C@@H](C(C)C)C2)c2ccccc12 ZINC000497197983 262101696 /nfs/dbraw/zinc/10/16/96/262101696.db2.gz HTPPWHPKRMDGAI-LJQANCHMSA-N 0 1 299.414 3.705 20 0 CHADMN COc1ccc2cc(CN3CCO[C@@H](C(C)C)C3)ccc2c1 ZINC000497216914 262110097 /nfs/dbraw/zinc/11/00/97/262110097.db2.gz ZNBZRNCWIVZYQY-LJQANCHMSA-N 0 1 299.414 3.705 20 0 CHADMN Cc1nc(SC[C@@H]2CCCO2)[nH]c1-c1ccccc1 ZINC000187140450 262125741 /nfs/dbraw/zinc/12/57/41/262125741.db2.gz IIUJWVNAOCVBAH-ZDUSSCGKSA-N 0 1 274.389 3.656 20 0 CHADMN Cc1ccnc(NC[C@H](C)COCc2ccccc2)c1 ZINC000390137610 262137780 /nfs/dbraw/zinc/13/77/80/262137780.db2.gz MWLWPIJAQWQYPA-HNNXBMFYSA-N 0 1 270.376 3.655 20 0 CHADMN CN(CCC(=O)c1ccccc1)Cc1cccc(F)c1 ZINC000053931578 262141456 /nfs/dbraw/zinc/14/14/56/262141456.db2.gz JHWOXBAIFAKGET-UHFFFAOYSA-N 0 1 271.335 3.531 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@H](C)N2CCCC(C)(C)C2)c1 ZINC000497365412 262146746 /nfs/dbraw/zinc/14/67/46/262146746.db2.gz NAXMRACNTQXMBZ-HNNXBMFYSA-N 0 1 288.435 3.752 20 0 CHADMN COc1cccc(CN(C)[C@H](C)c2ccc(C)cc2C)n1 ZINC000497477195 262168085 /nfs/dbraw/zinc/16/80/85/262168085.db2.gz LCVRBCJRDWPNLS-OAHLLOKOSA-N 0 1 284.403 3.900 20 0 CHADMN C[C@H](N[C@@H](C)c1ccnn1C)c1ccc(Cl)s1 ZINC000192248290 262200641 /nfs/dbraw/zinc/20/06/41/262200641.db2.gz NMTJSUIAXNZINJ-IUCAKERBSA-N 0 1 269.801 3.547 20 0 CHADMN C[C@H]1C[N@@H+](CC2CCCC2)[C@H](c2ccccc2)CO1 ZINC000525781621 262227299 /nfs/dbraw/zinc/22/72/99/262227299.db2.gz LANIPIPQRSQONJ-YOEHRIQHSA-N 0 1 259.393 3.639 20 0 CHADMN Fc1ccc(CNCc2ccc(OC(F)F)cc2)cc1F ZINC000020145276 262231244 /nfs/dbraw/zinc/23/12/44/262231244.db2.gz SAVHTOSZHVCVNV-UHFFFAOYSA-N 0 1 299.267 3.856 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@@H]2CCCCC2(F)F)c1Cl ZINC000390716202 262244558 /nfs/dbraw/zinc/24/45/58/262244558.db2.gz YGJCKHCTOBBFIH-NSHDSACASA-N 0 1 289.753 3.961 20 0 CHADMN CC1(C)CCCCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000446068389 262271085 /nfs/dbraw/zinc/27/10/85/262271085.db2.gz IBPNCKBAWKTGTD-UHFFFAOYSA-N 0 1 285.391 3.749 20 0 CHADMN O[C@H]1CCC[C@H](CSc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000488230254 262300125 /nfs/dbraw/zinc/30/01/25/262300125.db2.gz KKLNJBXSNWNSLN-ONGXEEELSA-N 0 1 296.823 3.860 20 0 CHADMN Cc1cnc(CN2CCC(C)(C(C)C)CC2)s1 ZINC000186199981 262311382 /nfs/dbraw/zinc/31/13/82/262311382.db2.gz DTLMMPPMMQZJQV-UHFFFAOYSA-N 0 1 252.427 3.710 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3[C@H](C)CC[C@@H]3C)n[nH]2)c(C)c1 ZINC000186326641 262314349 /nfs/dbraw/zinc/31/43/49/262314349.db2.gz YTZMUUUAFMXJOK-OKILXGFUSA-N 0 1 297.402 3.707 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H](C)c1cccc(C)c1 ZINC000187062483 262377668 /nfs/dbraw/zinc/37/76/68/262377668.db2.gz OQOOYSCTQOOAJK-UONOGXRCSA-N 0 1 270.376 3.810 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccccc2OC(F)F)ccn1 ZINC000391186802 262387634 /nfs/dbraw/zinc/38/76/34/262387634.db2.gz DSKZMTYANLUAMH-LBPRGKRZSA-N 0 1 292.329 3.842 20 0 CHADMN C[C@H](NCc1cnn(Cc2ccccc2)c1)c1ccsc1 ZINC000061361199 262394573 /nfs/dbraw/zinc/39/45/73/262394573.db2.gz ZLUDJBPBXYCAPZ-AWEZNQCLSA-N 0 1 297.427 3.844 20 0 CHADMN CC[C@H](CN[C@H](C)c1csc(-c2ccccc2)n1)OC ZINC000414119685 262812703 /nfs/dbraw/zinc/81/27/03/262812703.db2.gz DONOBAZBMHCJJD-TZMCWYRMSA-N 0 1 290.432 3.886 20 0 CHADMN CCc1ccc([C@@H](CC)N[C@@H](C)c2ccn(C)n2)cc1 ZINC000414187619 262816026 /nfs/dbraw/zinc/81/60/26/262816026.db2.gz QEQNOTQUAMUPES-XJKSGUPXSA-N 0 1 271.408 3.784 20 0 CHADMN CC[C@@H](NCc1ccc(C)c(C)n1)c1cccc(OC)c1 ZINC000414166794 262820477 /nfs/dbraw/zinc/82/04/77/262820477.db2.gz OFBIWSSPZFRIRW-GOSISDBHSA-N 0 1 284.403 3.948 20 0 CHADMN C[C@@H](NCc1cnccc1C(C)(C)C)c1cncs1 ZINC000414232826 262830253 /nfs/dbraw/zinc/83/02/53/262830253.db2.gz QMQARKGNXSVZMW-LLVKDONJSA-N 0 1 275.421 3.686 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccc(F)cc1F ZINC000414280106 262835080 /nfs/dbraw/zinc/83/50/80/262835080.db2.gz CBJVAQYEAMYRIQ-MRCXROJRSA-N 0 1 257.299 3.896 20 0 CHADMN CCn1ccnc1NCc1ccc(C)cc1Br ZINC000414308198 262840443 /nfs/dbraw/zinc/84/04/43/262840443.db2.gz WBDJERDYXXSZEZ-UHFFFAOYSA-N 0 1 294.196 3.586 20 0 CHADMN CC(C)=CCC[C@H](C)NCc1nnc(C2CC2)s1 ZINC000414330047 262845214 /nfs/dbraw/zinc/84/52/14/262845214.db2.gz RHFYFZPPFAVQRI-NSHDSACASA-N 0 1 265.426 3.640 20 0 CHADMN C[C@H]1C[C@H](NCc2csc(-c3ccsc3)n2)CS1 ZINC000414505068 262968496 /nfs/dbraw/zinc/96/84/96/262968496.db2.gz UGHCXCHQDOPKAN-ONGXEEELSA-N 0 1 296.486 3.855 20 0 CHADMN CC(C)(C[NH2+]Cc1cccc([O-])c1Cl)c1cccnc1 ZINC000414560839 262993259 /nfs/dbraw/zinc/99/32/59/262993259.db2.gz RKOPTOIYQCXKAV-UHFFFAOYSA-N 0 1 290.794 3.508 20 0 CHADMN CC(C)C[C@@H](N)c1noc(/C=C/c2ccc3[nH]ccc3c2)n1 ZINC000414613211 263009432 /nfs/dbraw/zinc/00/94/32/263009432.db2.gz FTDQAABRJYGCJX-YVARQFDVSA-N 0 1 296.374 3.767 20 0 CHADMN Cc1ccc(/C=C/Cc2nc([C@H](N)CC(C)C)no2)cc1 ZINC000414611630 263009616 /nfs/dbraw/zinc/00/96/16/263009616.db2.gz CIBBSZKYPMKNAL-MBVDDHJVSA-N 0 1 285.391 3.680 20 0 CHADMN Cc1oc2ccccc2c1-c1nc(C2(N)CCCC2)no1 ZINC000414620185 263013398 /nfs/dbraw/zinc/01/33/98/263013398.db2.gz PRJVZRIQEUTSCZ-UHFFFAOYSA-N 0 1 283.331 3.519 20 0 CHADMN COc1ccnc(CNC(C)(C)c2ccc(Cl)cc2)c1 ZINC000273199245 263013972 /nfs/dbraw/zinc/01/39/72/263013972.db2.gz SEPBKBJJNCNLMN-UHFFFAOYSA-N 0 1 290.794 3.769 20 0 CHADMN NC1(c2noc(-c3ccc(-c4ccccc4)o3)n2)CCCC1 ZINC000414627182 263016282 /nfs/dbraw/zinc/01/62/82/263016282.db2.gz LFJPBPRYVYHBJD-UHFFFAOYSA-N 0 1 295.342 3.725 20 0 CHADMN CC(C)C[C@H](N)c1noc(C/C=C\c2ccccc2F)n1 ZINC000414626500 263016438 /nfs/dbraw/zinc/01/64/38/263016438.db2.gz YCIOFGQEGCJKEA-VSKVDJIOSA-N 0 1 289.354 3.511 20 0 CHADMN NC1(c2noc(-c3ccc(C4CCCC4)cc3)n2)CCC1 ZINC000414626726 263016561 /nfs/dbraw/zinc/01/65/61/263016561.db2.gz KPWSAFNYRJGYFY-UHFFFAOYSA-N 0 1 283.375 3.732 20 0 CHADMN NC1(c2noc([C@H]3CCC[C@H]3c3ccccc3)n2)CCCC1 ZINC000414628749 263017080 /nfs/dbraw/zinc/01/70/80/263017080.db2.gz OTWMCPPIBPVSCN-GJZGRUSLSA-N 0 1 297.402 3.849 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414675419 263030762 /nfs/dbraw/zinc/03/07/62/263030762.db2.gz GHXMNEHKVDCYKD-QILLFSRXSA-N 0 1 289.419 3.682 20 0 CHADMN c1ncc(CNCc2ccc(C3CCC3)cc2)s1 ZINC000276913792 263038498 /nfs/dbraw/zinc/03/84/98/263038498.db2.gz JPLOKAJEAVKZAX-UHFFFAOYSA-N 0 1 258.390 3.700 20 0 CHADMN C[C@@H](NCCOc1cccc(Cl)c1)c1ccncc1F ZINC000340198993 263090527 /nfs/dbraw/zinc/09/05/27/263090527.db2.gz QXIZFVJPQVFUJR-LLVKDONJSA-N 0 1 294.757 3.604 20 0 CHADMN CC[C@H]1CN([C@H](C)c2ccc(F)cc2F)CCCO1 ZINC000439485335 263126169 /nfs/dbraw/zinc/12/61/69/263126169.db2.gz HXGVHNQJGRFGQX-YPMHNXCESA-N 0 1 269.335 3.527 20 0 CHADMN C[C@@H]1C[C@H]1[C@H](NCc1cc[nH]n1)c1ccc(Cl)cc1 ZINC000295067588 263171708 /nfs/dbraw/zinc/17/17/08/263171708.db2.gz WAHLUGDJNAKENV-VCTAVGKDSA-N 0 1 275.783 3.550 20 0 CHADMN Cc1cc(Cl)c(NCc2n[nH]c(C3CC3)n2)cc1C ZINC000453142637 263195253 /nfs/dbraw/zinc/19/52/53/263195253.db2.gz LMTIVPSOHUOSIS-UHFFFAOYSA-N 0 1 276.771 3.564 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H]1C[C@H](C)n3ccnc31)CCC2 ZINC000297330627 263203561 /nfs/dbraw/zinc/20/35/61/263203561.db2.gz NXROGHIZZNZZJM-JQFCIGGWSA-N 0 1 281.403 3.865 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H](C)c1sccc1C ZINC000453343722 263242672 /nfs/dbraw/zinc/24/26/72/263242672.db2.gz IRRHLMHAGRTOBJ-NWDGAFQWSA-N 0 1 263.410 3.685 20 0 CHADMN CC[C@]1(CO)CCCN(CCc2c(F)cccc2Cl)C1 ZINC000187529701 263260203 /nfs/dbraw/zinc/26/02/03/263260203.db2.gz DGWMIHJASJZGMV-INIZCTEOSA-N 0 1 299.817 3.506 20 0 CHADMN CC[C@@]1(CO)CCCN([C@@H](C)c2cc(F)ccc2F)C1 ZINC000187531654 263260384 /nfs/dbraw/zinc/26/03/84/263260384.db2.gz GPWMGYLTHMYIJV-BLLLJJGKSA-N 0 1 283.362 3.510 20 0 CHADMN Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)C[C@@H]3C)s2)cc1 ZINC000471809050 263265481 /nfs/dbraw/zinc/26/54/81/263265481.db2.gz JLFGAWNTZDHHLS-ZFWWWQNUSA-N 0 1 287.428 3.679 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H]1CCCc2ccccc21 ZINC000187677772 263266609 /nfs/dbraw/zinc/26/66/09/263266609.db2.gz LANFPCJNIQUQKW-CZUORRHYSA-N 0 1 267.376 3.513 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](N[C@@H](C)c1nccn1C)CC2 ZINC000187801833 263268753 /nfs/dbraw/zinc/26/87/53/263268753.db2.gz NMXYQMXZMOAVAU-GUYCJALGSA-N 0 1 283.419 3.882 20 0 CHADMN Clc1ccc2c(c1Cl)OC[C@@H]2NCc1cc[nH]c1 ZINC000334178305 263498601 /nfs/dbraw/zinc/49/86/01/263498601.db2.gz CSIZLLJTLJVYIJ-NSHDSACASA-N 0 1 283.158 3.545 20 0 CHADMN COc1ccc([C@@H](NCc2cc(C)nc(C)n2)C(C)C)cc1 ZINC000342808520 263521886 /nfs/dbraw/zinc/52/18/86/263521886.db2.gz CSKIUXBCSQLIIW-SFHVURJKSA-N 0 1 299.418 3.589 20 0 CHADMN CN(C(=O)c1cc(C2CC2)[nH]n1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416305542 263689711 /nfs/dbraw/zinc/68/97/11/263689711.db2.gz IYQUPAJZEJMNPO-WFASDCNBSA-N 0 1 289.423 3.574 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](CC(N)=O)C2CCCCC2)o1 ZINC000330866193 264058184 /nfs/dbraw/zinc/05/81/84/264058184.db2.gz RTHXWSSGYDVYJF-WCQYABFASA-N 0 1 279.384 3.508 20 0 CHADMN CC(C)(C)c1ccc(NC(=O)C(C)(C)c2cnc[nH]2)cc1 ZINC000330971914 264092247 /nfs/dbraw/zinc/09/22/47/264092247.db2.gz UIGOXCBXEFIZCM-UHFFFAOYSA-N 0 1 285.391 3.624 20 0 CHADMN Cc1cc(CN2CC(C)(C)C[C@H]2c2ccccc2)nn1C ZINC000425376994 264216289 /nfs/dbraw/zinc/21/62/89/264216289.db2.gz ZDQOJIAYLNTSFO-KRWDZBQOSA-N 0 1 283.419 3.702 20 0 CHADMN Cc1csc([C@@H](C)NCc2sccc2C)n1 ZINC000070650061 264237551 /nfs/dbraw/zinc/23/75/51/264237551.db2.gz RJXMSTIUXPWMAN-SNVBAGLBSA-N 0 1 252.408 3.672 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H](C)c1sc(C)nc1C ZINC000188786751 264241881 /nfs/dbraw/zinc/24/18/81/264241881.db2.gz OKKBSLJUOVYDKG-UWVGGRQHSA-N 0 1 291.420 3.575 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H]1CCc2ccc(C)cc21 ZINC000188777598 264242455 /nfs/dbraw/zinc/24/24/55/264242455.db2.gz DUGIHFKTJVXJBG-DYVFJYSZSA-N 0 1 282.387 3.737 20 0 CHADMN Cc1nc2ccccc2n1CCCNc1cccc(C)n1 ZINC000127541747 264252501 /nfs/dbraw/zinc/25/25/01/264252501.db2.gz WSPJCRKLFPMVNE-UHFFFAOYSA-N 0 1 280.375 3.550 20 0 CHADMN C[C@H](C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000251129439 264270669 /nfs/dbraw/zinc/27/06/69/264270669.db2.gz TWFJJLSBUFIWCX-RKDXNWHRSA-N 0 1 290.190 3.707 20 0 CHADMN C[C@@H](NCCOCC(F)F)c1ccc(Cl)cc1Cl ZINC000189582387 264309868 /nfs/dbraw/zinc/30/98/68/264309868.db2.gz QSTMFQOLFBBVJJ-MRVPVSSYSA-N 0 1 298.160 3.926 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3sc(Cl)cc32)cn1 ZINC000129652802 264329786 /nfs/dbraw/zinc/32/97/86/264329786.db2.gz SYRBCNBEEWFFCK-GFCCVEGCSA-N 0 1 278.808 3.882 20 0 CHADMN CCc1nc(CN[C@H](C)c2cc(Cl)ccc2Cl)n[nH]1 ZINC000190002913 264344712 /nfs/dbraw/zinc/34/47/12/264344712.db2.gz BKZGAFCTYDNXIG-MRVPVSSYSA-N 0 1 299.205 3.525 20 0 CHADMN CO[C@H](C)CN(Cc1coc(-c2ccccc2)n1)C(C)C ZINC000353783523 264367134 /nfs/dbraw/zinc/36/71/34/264367134.db2.gz XZPOGVNMYHQQMA-CQSZACIVSA-N 0 1 288.391 3.587 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](C)CC1CCCCC1 ZINC000192552334 264572074 /nfs/dbraw/zinc/57/20/74/264572074.db2.gz FSPZMWPUQGBFKF-GFCCVEGCSA-N 0 1 291.439 3.930 20 0 CHADMN C[C@@H]1C[C@@H](N[C@@H](c2nccn2C)C2CC2)c2ccccc21 ZINC000343987594 265050324 /nfs/dbraw/zinc/05/03/24/265050324.db2.gz OCFLRKBPHLCKQG-CSMYWGQOSA-N 0 1 281.403 3.709 20 0 CHADMN CCS[C@@H](C(=O)Nc1nc2ccc(C)cc2[nH]1)C(C)C ZINC000344482490 265060765 /nfs/dbraw/zinc/06/07/65/265060765.db2.gz KAGONCITBNMRGW-CYBMUJFWSA-N 0 1 291.420 3.588 20 0 CHADMN Cc1noc(C)c1CNc1ccnc2cc(F)ccc21 ZINC000113247022 265066543 /nfs/dbraw/zinc/06/65/43/265066543.db2.gz YKCWDEJVEJZDFO-UHFFFAOYSA-N 0 1 271.295 3.591 20 0 CHADMN COc1cc(C)nc(CNCc2csc3ccccc23)c1 ZINC000347713159 265133906 /nfs/dbraw/zinc/13/39/06/265133906.db2.gz ZYLLETCALCHERE-UHFFFAOYSA-N 0 1 298.411 3.903 20 0 CHADMN CCCCN(C(=O)c1[nH]nc2ccccc21)[C@H](C)CC ZINC000096477341 265367747 /nfs/dbraw/zinc/36/77/47/265367747.db2.gz LKODWMYUFVQDTB-GFCCVEGCSA-N 0 1 273.380 3.604 20 0 CHADMN Cc1ccccc1OCCCN1Cc2ccccc2C1 ZINC000519288000 265384914 /nfs/dbraw/zinc/38/49/14/265384914.db2.gz SUHYMNRZXWKZSR-UHFFFAOYSA-N 0 1 267.372 3.780 20 0 CHADMN Cc1cc(CN[C@H](c2ncc[nH]2)C2CCCCC2)ccn1 ZINC000514582124 266004374 /nfs/dbraw/zinc/00/43/74/266004374.db2.gz GFIICRHRGCTDRM-INIZCTEOSA-N 0 1 284.407 3.524 20 0 CHADMN COC(=O)c1cnc([C@H](C)N[C@@H](C)CCC(C)(C)C)s1 ZINC000314768522 266014632 /nfs/dbraw/zinc/01/46/32/266014632.db2.gz IBZJUPCWVQIYAK-QWRGUYRKSA-N 0 1 298.452 3.795 20 0 CHADMN FC1(F)CCC12CN(CCSCc1ccccc1)C2 ZINC000356521408 266129738 /nfs/dbraw/zinc/12/97/38/266129738.db2.gz HGMFYKQWPJZULC-UHFFFAOYSA-N 0 1 283.387 3.651 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1ccc(F)cn1 ZINC000356669159 266156566 /nfs/dbraw/zinc/15/65/66/266156566.db2.gz CKNXDMVZIFCJLB-PXAZEXFGSA-N 0 1 270.351 3.867 20 0 CHADMN CC=CC=Cc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000356922485 266211308 /nfs/dbraw/zinc/21/13/08/266211308.db2.gz ATEVXNGVYRJYEZ-VNKDHWASSA-N 0 1 266.304 3.511 20 0 CHADMN Cc1cccc(C2=CC[N@@H+](Cc3cccn3C)CC2)c1 ZINC000356946853 266217167 /nfs/dbraw/zinc/21/71/67/266217167.db2.gz KYXFAEUQSKAEPG-UHFFFAOYSA-N 0 1 266.388 3.623 20 0 CHADMN C[C@@H](O)CCN(C)Cc1ccc(-c2ccccc2)cc1F ZINC000357003661 266230765 /nfs/dbraw/zinc/23/07/65/266230765.db2.gz ZQNBXPFSSGJIAE-CQSZACIVSA-N 0 1 287.378 3.695 20 0 CHADMN CC(C)c1nc(CN(C)[C@H](C)C2CCC2)cs1 ZINC000357027821 266234973 /nfs/dbraw/zinc/23/49/73/266234973.db2.gz TXWNZCWBYSBTKS-LLVKDONJSA-N 0 1 252.427 3.887 20 0 CHADMN C[C@H]1CCN(CC(=O)c2c[nH]c3ccccc23)CC12CCC2 ZINC000357026290 266235144 /nfs/dbraw/zinc/23/51/44/266235144.db2.gz QMPHKYJFIYMAOS-AWEZNQCLSA-N 0 1 296.414 3.863 20 0 CHADMN C[C@@H](C1CCC1)N(C)Cc1csc(C2CC2)n1 ZINC000357026268 266235468 /nfs/dbraw/zinc/23/54/68/266235468.db2.gz QKESXUHJNHEGKL-JTQLQIEISA-N 0 1 250.411 3.641 20 0 CHADMN CC/C=C(/C)c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000357034441 266236532 /nfs/dbraw/zinc/23/65/32/266236532.db2.gz YRAXXRJTVKBYBF-WDZFZDKYSA-N 0 1 289.354 3.751 20 0 CHADMN CSc1cc(CNCc2coc3ccccc23)ccn1 ZINC000357349129 266281653 /nfs/dbraw/zinc/28/16/53/266281653.db2.gz CEYWSWINLYRDCT-UHFFFAOYSA-N 0 1 284.384 3.840 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H]3CC34CCCCC4)cc2[nH]1 ZINC000357475718 266304923 /nfs/dbraw/zinc/30/49/23/266304923.db2.gz AVWSVRDTRGUACP-ZDUSSCGKSA-N 0 1 283.375 3.780 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1nnc(Cc2ccccc2C)o1 ZINC000357556532 266323646 /nfs/dbraw/zinc/32/36/46/266323646.db2.gz UXXKVOZSYBAWFD-HOCLYGCPSA-N 0 1 299.418 3.732 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CCC[C@H](C)[C@H]1C ZINC000357732324 266352712 /nfs/dbraw/zinc/35/27/12/266352712.db2.gz OMABGNUVVCKUKS-QWHCGFSZSA-N 0 1 289.398 3.816 20 0 CHADMN C[C@@H](NCc1ccc(C2CC2)cc1)c1ccc(F)cn1 ZINC000357785665 266361718 /nfs/dbraw/zinc/36/17/18/266361718.db2.gz IRAGRNFUFQALQF-GFCCVEGCSA-N 0 1 270.351 3.949 20 0 CHADMN CCCOc1cccc(CN[C@@H](C)c2cncc(F)c2)c1 ZINC000358000036 266394917 /nfs/dbraw/zinc/39/49/17/266394917.db2.gz BGCLNRGOFYPLIR-ZDUSSCGKSA-N 0 1 288.366 3.860 20 0 CHADMN Cc1cc2[nH]c(CN[C@@H](CCO)c3ccco3)cc2c(C)c1 ZINC000359007110 266522135 /nfs/dbraw/zinc/52/21/35/266522135.db2.gz UDWJDFDTPRJNKT-INIZCTEOSA-N 0 1 298.386 3.591 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000359334178 266565998 /nfs/dbraw/zinc/56/59/98/266565998.db2.gz RORGZWJHAKAGMO-VXGBXAGGSA-N 0 1 273.355 3.590 20 0 CHADMN COC1(CN(Cc2ccco2)Cc2ccco2)CCCC1 ZINC000361510416 266837701 /nfs/dbraw/zinc/83/77/01/266837701.db2.gz HVJAAAGKICQOGQ-UHFFFAOYSA-N 0 1 289.375 3.834 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CCC[C@@H](C(C)(C)C)C1 ZINC000361549334 266844213 /nfs/dbraw/zinc/84/42/13/266844213.db2.gz NPCJZDPFAXPQAU-DGCLKSJQSA-N 0 1 277.412 3.766 20 0 CHADMN CCc1oc2ccccc2c1CN1CCO[C@@H](C2CC2)C1 ZINC000362527884 267001526 /nfs/dbraw/zinc/00/15/26/267001526.db2.gz GVCNKHCZSMDORV-GOSISDBHSA-N 0 1 285.387 3.606 20 0 CHADMN Cc1cccc(-c2noc(CN3[C@@H](C)CC[C@@H]3C)n2)c1F ZINC000362638307 267028546 /nfs/dbraw/zinc/02/85/46/267028546.db2.gz SENJIPHYXIJXMQ-RYUDHWBXSA-N 0 1 289.354 3.557 20 0 CHADMN CCCC(C)(C)CC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000362805792 267048627 /nfs/dbraw/zinc/04/86/27/267048627.db2.gz BDISUXYJEGYION-CQSZACIVSA-N 0 1 296.480 3.683 20 0 CHADMN CC[C@@H](C)N(Cc1ccccc1)Cc1cccnc1OC ZINC000362921711 267061510 /nfs/dbraw/zinc/06/15/10/267061510.db2.gz IHDZKMOIAGGAAH-OAHLLOKOSA-N 0 1 284.403 3.891 20 0 CHADMN COc1cnccc1[C@H](C)NCc1cc2ccc(F)cc2[nH]1 ZINC000362932607 267063597 /nfs/dbraw/zinc/06/35/97/267063597.db2.gz XKBMQQINPAEAFV-NSHDSACASA-N 0 1 299.349 3.561 20 0 CHADMN Cc1[nH]ncc1CNc1ccc(-c2ccco2)cc1F ZINC000362960579 267067711 /nfs/dbraw/zinc/06/77/11/267067711.db2.gz PNAJVUQPOZNHHO-UHFFFAOYSA-N 0 1 271.295 3.729 20 0 CHADMN COCCSCCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000362955332 267067729 /nfs/dbraw/zinc/06/77/29/267067729.db2.gz QLQAXPXYCHGVLT-MRXNPFEDSA-N 0 1 297.439 3.732 20 0 CHADMN C[C@H](NCc1cnc2n1CCCC2)c1cc2ccccc2o1 ZINC000367436453 267090090 /nfs/dbraw/zinc/09/00/90/267090090.db2.gz FXKJXOQQTQEBQN-ZDUSSCGKSA-N 0 1 295.386 3.816 20 0 CHADMN Fc1ccc(CN2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000367856355 267122800 /nfs/dbraw/zinc/12/28/00/267122800.db2.gz UFKPGBUNXYQJPW-UHFFFAOYSA-N 0 1 293.773 3.513 20 0 CHADMN CC1(C)CN(Cc2cc3ccccc3[nH]2)[C@@H]1[C@@H]1CCCO1 ZINC000367945337 267129492 /nfs/dbraw/zinc/12/94/92/267129492.db2.gz VZODFKQHMQUWID-DLBZAZTESA-N 0 1 284.403 3.557 20 0 CHADMN C[C@@H]1Oc2cc(F)ccc2[C@H]1NCc1cccc2[nH]ccc21 ZINC000367957436 267130481 /nfs/dbraw/zinc/13/04/81/267130481.db2.gz KNHVKUGUUMGPEO-VOJFVSQTSA-N 0 1 296.345 3.919 20 0 CHADMN COCC[C@@H]1CCCCN(Cc2cc(C(C)(C)C)on2)C1 ZINC000368058003 267143577 /nfs/dbraw/zinc/14/35/77/267143577.db2.gz PFSZGFGMVOIPMT-AWEZNQCLSA-N 0 1 294.439 3.611 20 0 CHADMN Cc1cc([C@@H](C)NC[C@H]2CCCN(c3ccccc3)C2)no1 ZINC000368060017 267143992 /nfs/dbraw/zinc/14/39/92/267143992.db2.gz ZKZRKOOAHCAMTM-HZPDHXFCSA-N 0 1 299.418 3.550 20 0 CHADMN CC(C)n1ncc2c1[C@@H](N[C@H](C)c1ccncc1)CCC2 ZINC000368135976 267147574 /nfs/dbraw/zinc/14/75/74/267147574.db2.gz SKXUTGRJPFTBCM-CJNGLKHVSA-N 0 1 284.407 3.587 20 0 CHADMN Cc1cc([C@H]2CCCN2CCSC(C)(C)C)no1 ZINC000369225077 267227981 /nfs/dbraw/zinc/22/79/81/267227981.db2.gz NLNVUHKYXKHLDG-CYBMUJFWSA-N 0 1 268.426 3.652 20 0 CHADMN C[C@@H](NCc1ccccc1OC1CCC1)c1cccnc1 ZINC000118442880 267254623 /nfs/dbraw/zinc/25/46/23/267254623.db2.gz HAVPTTRCRGQFLM-CQSZACIVSA-N 0 1 282.387 3.864 20 0 CHADMN C[C@H]1[C@@H](C)N(Cc2cnc(C(F)(F)F)s2)C[C@H]1C ZINC000418119174 267260275 /nfs/dbraw/zinc/26/02/75/267260275.db2.gz GCOKBTQCFNLPKM-IWSPIJDZSA-N 0 1 278.343 3.638 20 0 CHADMN CSc1ccc([C@@H](C)NCc2ccccn2)cc1 ZINC000019958080 267261967 /nfs/dbraw/zinc/26/19/67/267261967.db2.gz KBQCUZWLWGHWOR-GFCCVEGCSA-N 0 1 258.390 3.654 20 0 CHADMN CCOc1cc(C)ccc1CN[C@H](C)c1cncs1 ZINC000119238778 267312577 /nfs/dbraw/zinc/31/25/77/267312577.db2.gz WIYKHJVGFIQBPI-GFCCVEGCSA-N 0 1 276.405 3.701 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CC[C@@](C)(c2ccccc2)C1 ZINC000370395683 267316833 /nfs/dbraw/zinc/31/68/33/267316833.db2.gz NLNPHWFSWQHERJ-SCLBCKFNSA-N 0 1 297.402 3.672 20 0 CHADMN c1nc(CN2CCC[C@]3(CC=CCC3)C2)oc1C1CC1 ZINC000371178516 267361323 /nfs/dbraw/zinc/36/13/23/267361323.db2.gz UBYSPCAEIBVFBS-QGZVFWFLSA-N 0 1 272.392 3.874 20 0 CHADMN Cc1ccoc1CN(C)Cc1ccccc1N1CCCC1 ZINC000121238065 267586782 /nfs/dbraw/zinc/58/67/82/267586782.db2.gz KHLDVKOAOGMDLS-UHFFFAOYSA-N 0 1 284.403 3.820 20 0 CHADMN CC(C)c1ccc([C@H]2CCCN2Cc2cncnc2)cc1 ZINC000374282894 267773680 /nfs/dbraw/zinc/77/36/80/267773680.db2.gz HZQVASGRLGTDJE-GOSISDBHSA-N 0 1 281.403 3.937 20 0 CHADMN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C)[nH]n1 ZINC000123104677 268000151 /nfs/dbraw/zinc/00/01/51/268000151.db2.gz SNKXSFWGOVBDNZ-RDJZCZTQSA-N 0 1 297.402 3.517 20 0 CHADMN COCCN(Cc1sccc1Cl)CC(C)C ZINC000338544472 523778564 /nfs/dbraw/zinc/77/85/64/523778564.db2.gz BFEGVOAFTDCQLD-UHFFFAOYSA-N 0 1 261.818 3.506 20 0 CHADMN CCC(CC)c1noc(-c2ccc(O)c(Cl)c2)n1 ZINC000395270519 328735227 /nfs/dbraw/zinc/73/52/27/328735227.db2.gz QTIOULYHYOJADS-UHFFFAOYSA-N 0 1 266.728 3.999 20 0 CHADMN C[C@H](N[C@H]1CCC1(C)C)c1nnc(-c2ccccc2)o1 ZINC000580230696 327745369 /nfs/dbraw/zinc/74/53/69/327745369.db2.gz ZWKLTDAEDXHJTI-AAEUAGOBSA-N 0 1 271.364 3.576 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(C)c(C)n2)cc1F ZINC000313835886 327771452 /nfs/dbraw/zinc/77/14/52/327771452.db2.gz PAAWARRBNXMGKG-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN COC(=O)c1oc([C@H](C)N[C@H](C)c2ccccc2)cc1C ZINC000181349482 327809147 /nfs/dbraw/zinc/80/91/47/327809147.db2.gz FIJAIKRORUWGPO-OLZOCXBDSA-N 0 1 287.359 3.786 20 0 CHADMN CC[C@H](NC[C@@H](O)c1ccc(C)cc1)c1nc(C)cs1 ZINC000184379984 327827341 /nfs/dbraw/zinc/82/73/41/327827341.db2.gz WJHOUEOUTSOGNB-LSDHHAIUSA-N 0 1 290.432 3.534 20 0 CHADMN CCC[C@@H](NCc1ccc(OC(C)C)nc1)c1cccnc1 ZINC000185045960 327836407 /nfs/dbraw/zinc/83/64/07/327836407.db2.gz PDKNDNGLJFSFDU-QGZVFWFLSA-N 0 1 299.418 3.895 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H]2CCCCC2(F)F)cs1 ZINC000390866889 327932336 /nfs/dbraw/zinc/93/23/36/327932336.db2.gz NLGOYQOZCMSKDP-KOLCDFICSA-N 0 1 274.380 3.928 20 0 CHADMN Cc1nnsc1CN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000394738116 327934117 /nfs/dbraw/zinc/93/41/17/327934117.db2.gz XVFGDLIPQNBCFO-AWEZNQCLSA-N 0 1 293.411 3.863 20 0 CHADMN Cc1ccc(CCNCc2coc(-c3ccccc3)n2)o1 ZINC000531490146 327942726 /nfs/dbraw/zinc/94/27/26/327942726.db2.gz COXKXEGTOGNWIU-UHFFFAOYSA-N 0 1 282.343 3.575 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H](C)c1ccccc1 ZINC000187078113 327943258 /nfs/dbraw/zinc/94/32/58/327943258.db2.gz TWKMMLWBTVBGIK-CHWSQXEVSA-N 0 1 256.349 3.502 20 0 CHADMN Cc1ccc2oc(CN[C@@H](C)c3cccnc3)cc2c1 ZINC000152033065 327996585 /nfs/dbraw/zinc/99/65/85/327996585.db2.gz GASKRJMTLKYUFE-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000563277927 328006631 /nfs/dbraw/zinc/00/66/31/328006631.db2.gz PXIWOYNIUJTBGM-WMZOPIPTSA-N 0 1 289.419 3.684 20 0 CHADMN CC(C)CC[C@H]1CCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000563282389 328007438 /nfs/dbraw/zinc/00/74/38/328007438.db2.gz KOFYXRIPZVEACZ-CYBMUJFWSA-N 0 1 281.421 3.847 20 0 CHADMN C[C@@H]1CN(Cc2c(Cl)ccc3cccnc32)[C@@H]1C ZINC000339572575 328011729 /nfs/dbraw/zinc/01/17/29/328011729.db2.gz AGEFLHNQCGXQJQ-GHMZBOCLSA-N 0 1 260.768 3.728 20 0 CHADMN CC[C@H](N[C@@H](C)c1nccnc1C)c1ccc(C)cc1 ZINC000219078486 328013065 /nfs/dbraw/zinc/01/30/65/328013065.db2.gz WJWMASVQCLKXOU-HOCLYGCPSA-N 0 1 269.392 3.895 20 0 CHADMN Cc1cc(C)c(CNCc2cccc3c2OCO3)c(C)c1 ZINC000040666948 328015251 /nfs/dbraw/zinc/01/52/51/328015251.db2.gz RJHYCXIAPDZOOQ-UHFFFAOYSA-N 0 1 283.371 3.630 20 0 CHADMN c1cn(C2CCCC2)nc1CN(C1CC1)C1CCCC1 ZINC000531658634 328022164 /nfs/dbraw/zinc/02/21/64/328022164.db2.gz DIDNULMRMHZNIZ-UHFFFAOYSA-N 0 1 273.424 3.905 20 0 CHADMN CC[C@H](C(=O)N(C)c1ccc(-c2ccccc2)cc1)N(C)C ZINC000531702826 328026257 /nfs/dbraw/zinc/02/62/57/328026257.db2.gz YHQBVBHAJCMVML-GOSISDBHSA-N 0 1 296.414 3.657 20 0 CHADMN CCc1noc(C)c1CN1Cc2ccccc2C(C)(C)C1 ZINC000533993236 328030702 /nfs/dbraw/zinc/03/07/02/328030702.db2.gz RIKHXVSTZKPRND-UHFFFAOYSA-N 0 1 284.403 3.839 20 0 CHADMN CC(C)(C)c1noc(CN2CCCC23CCCCC3)n1 ZINC000533992640 328032107 /nfs/dbraw/zinc/03/21/07/328032107.db2.gz KNQLHQWHCGSSQN-UHFFFAOYSA-N 0 1 277.412 3.666 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1ccc(Br)s1 ZINC000531816216 328038553 /nfs/dbraw/zinc/03/85/53/328038553.db2.gz WHKUHDRFOTTYSJ-RKDXNWHRSA-N 0 1 274.227 3.883 20 0 CHADMN CCCCc1nc(C[N@@H+](C)C2CCCC2)cs1 ZINC000048057596 328039270 /nfs/dbraw/zinc/03/92/70/328039270.db2.gz MLSFSTPUENQIEP-UHFFFAOYSA-N 0 1 252.427 3.860 20 0 CHADMN CCCCc1nc(CN(C)C2CCCC2)cs1 ZINC000048057596 328039272 /nfs/dbraw/zinc/03/92/72/328039272.db2.gz MLSFSTPUENQIEP-UHFFFAOYSA-N 0 1 252.427 3.860 20 0 CHADMN CC(C)CO[C@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC000531834855 328041598 /nfs/dbraw/zinc/04/15/98/328041598.db2.gz ZTEUNKPIRUISQK-HNNXBMFYSA-N 0 1 267.800 3.587 20 0 CHADMN CC(C)CO[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000531841195 328043345 /nfs/dbraw/zinc/04/33/45/328043345.db2.gz QBHVGIGPOQBPIL-OAHLLOKOSA-N 0 1 267.800 3.587 20 0 CHADMN CCc1nc(CN(C)C[C@H]2C[C@H]2c2ccccc2)cs1 ZINC000534349647 328047820 /nfs/dbraw/zinc/04/78/20/328047820.db2.gz NQOHGWSAOMDDRK-ZBFHGGJFSA-N 0 1 286.444 3.941 20 0 CHADMN COCCCN(C)Cc1cnc(C2CCCCC2)s1 ZINC000534349992 328047955 /nfs/dbraw/zinc/04/79/55/328047955.db2.gz MGVKBMGYELLVPN-UHFFFAOYSA-N 0 1 282.453 3.659 20 0 CHADMN CCC(C)(C)c1ccc(NC(=O)[C@@H](C)Cc2cnc[nH]2)cc1 ZINC000563391772 328060597 /nfs/dbraw/zinc/06/05/97/328060597.db2.gz AOTHLVOJAOFGHV-ZDUSSCGKSA-N 0 1 299.418 3.915 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2cncnc2C)c(C)s1 ZINC000563418557 328063759 /nfs/dbraw/zinc/06/37/59/328063759.db2.gz PFOSWFWZMVAYNN-RYUDHWBXSA-N 0 1 275.421 3.875 20 0 CHADMN CC[C@H](c1ccccc1)N(CC)Cc1snnc1C ZINC000563621681 328078038 /nfs/dbraw/zinc/07/80/38/328078038.db2.gz ALEZRXKQZPDQGU-CQSZACIVSA-N 0 1 275.421 3.820 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](CC1CCC1)CC1(C(=O)[O-])CC1 ZINC000563630137 328078853 /nfs/dbraw/zinc/07/88/53/328078853.db2.gz JZMZZRWKTPQJGK-AWEZNQCLSA-N 0 1 287.403 3.715 20 0 CHADMN C[C@@]1(C(=O)[O-])CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000262339983 328083058 /nfs/dbraw/zinc/08/30/58/328083058.db2.gz UECOVAMEOAXIIA-LJQANCHMSA-N 0 1 293.366 3.553 20 0 CHADMN CC(C)C[N@H+](CCC(=O)[O-])CC[C@@H]1CCC[C@H](C)C1 ZINC000571219258 328092885 /nfs/dbraw/zinc/09/28/85/328092885.db2.gz AMWWJFJTIWQYSR-GJZGRUSLSA-N 0 1 269.429 3.636 20 0 CHADMN Cc1c2ccccc2nc(C[N@H+](C)C2CCCC2)c1C(=O)[O-] ZINC000571335703 328110893 /nfs/dbraw/zinc/11/08/93/328110893.db2.gz CIRDIFFGGWVWAQ-UHFFFAOYSA-N 0 1 298.386 3.616 20 0 CHADMN Cc1nc(CN[C@@H](c2ccc(F)cc2)C2CCC2)[nH]c1C ZINC000571417838 328120623 /nfs/dbraw/zinc/12/06/23/328120623.db2.gz GCZLUSICCHAXSE-QGZVFWFLSA-N 0 1 287.382 3.797 20 0 CHADMN Cc1ccc(F)cc1CN[C@H]1c2ccccc2O[C@H]1C ZINC000571440911 328122235 /nfs/dbraw/zinc/12/22/35/328122235.db2.gz NXMWDQDFLCIFPB-YVEFUNNKSA-N 0 1 271.335 3.746 20 0 CHADMN CC(C)CCC[N@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000571452845 328122841 /nfs/dbraw/zinc/12/28/41/328122841.db2.gz KEDZINQREXYFLF-HNNXBMFYSA-N 0 1 277.408 3.646 20 0 CHADMN Cc1cc(CNCc2ccc(F)cc2F)cs1 ZINC000336693877 328124203 /nfs/dbraw/zinc/12/42/03/328124203.db2.gz IDQGYTBQYAEUKP-UHFFFAOYSA-N 0 1 253.317 3.625 20 0 CHADMN Cc1csc(CNCc2cccc(F)c2F)c1 ZINC000393431702 329092315 /nfs/dbraw/zinc/09/23/15/329092315.db2.gz QIIGFHUGBGBNQB-UHFFFAOYSA-N 0 1 253.317 3.625 20 0 CHADMN Clc1ccc(CN2CC[C@H]2Cc2ccccc2)o1 ZINC000582502629 329098427 /nfs/dbraw/zinc/09/84/27/329098427.db2.gz KZDIMCQVVBSXAW-ZDUSSCGKSA-N 0 1 261.752 3.750 20 0 CHADMN C[C@H](NCc1cc2ccccc2s1)c1cc2n(n1)CCC2 ZINC000414064691 328152706 /nfs/dbraw/zinc/15/27/06/328152706.db2.gz FZAXQVFKQOHVBB-LBPRGKRZSA-N 0 1 297.427 3.895 20 0 CHADMN CC(C)CC[C@@H]1CC[C@H](N[C@@H](C)c2csnn2)C1 ZINC000414303275 328153932 /nfs/dbraw/zinc/15/39/32/328153932.db2.gz NHJXCIHZDNGJSU-XQQFMLRXSA-N 0 1 267.442 3.794 20 0 CHADMN CCc1ncc(CNC(C)(C)c2cccc(Cl)c2)cn1 ZINC000414361574 328155295 /nfs/dbraw/zinc/15/52/95/328155295.db2.gz SWTJMQXHYGWRIG-UHFFFAOYSA-N 0 1 289.810 3.717 20 0 CHADMN FCC1(NCc2cnc(-c3ccccc3)s2)CCC1 ZINC000571641455 328166409 /nfs/dbraw/zinc/16/64/09/328166409.db2.gz JYTOIJORERNKLF-UHFFFAOYSA-N 0 1 276.380 3.792 20 0 CHADMN Cc1cccc([C@@H](C)NCc2ccc(F)cn2)c1C ZINC000269019515 328188672 /nfs/dbraw/zinc/18/86/72/328188672.db2.gz PNCRPRJIPPDJNH-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN CC(C)(C)c1ccc(CN[C@@H]2CCCc3c[nH]nc32)s1 ZINC000269256776 328190213 /nfs/dbraw/zinc/19/02/13/328190213.db2.gz AKSZIYVKRFCSSB-CYBMUJFWSA-N 0 1 289.448 3.936 20 0 CHADMN CCc1ccc(O)c(NC(=O)c2cc(Cl)ccc2O)c1 ZINC000436842194 328191391 /nfs/dbraw/zinc/19/13/91/328191391.db2.gz WDUUHVHGQSTAIK-UHFFFAOYSA-N 0 1 291.734 3.566 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])oc1CC ZINC000571648812 328194875 /nfs/dbraw/zinc/19/48/75/328194875.db2.gz ISRDVGFBAHZAHL-GXTWGEPZSA-N 0 1 293.407 3.941 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H](C)c1sccc1C ZINC000437097780 328197915 /nfs/dbraw/zinc/19/79/15/328197915.db2.gz OTJBMWCVXGEIQN-RYUDHWBXSA-N 0 1 276.405 3.872 20 0 CHADMN CC(C)C[C@H](N)c1noc(C(C)(C)C2CCCC2)n1 ZINC000414610517 328200948 /nfs/dbraw/zinc/20/09/48/328200948.db2.gz BINHNPSGVZIUNW-LBPRGKRZSA-N 0 1 265.401 3.583 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C(C)(C)C2CCCC2)n1 ZINC000414610515 328200972 /nfs/dbraw/zinc/20/09/72/328200972.db2.gz BINHNPSGVZIUNW-GFCCVEGCSA-N 0 1 265.401 3.583 20 0 CHADMN C[C@H](CCc1nc(C2(N)CCCC2)no1)c1ccccc1 ZINC000414615288 328201995 /nfs/dbraw/zinc/20/19/95/328201995.db2.gz IILMMDMCRVGKKE-CYBMUJFWSA-N 0 1 285.391 3.534 20 0 CHADMN CC[C@@H](CC(C)C)c1nc([C@H](N)CC(C)C)no1 ZINC000414617592 328203476 /nfs/dbraw/zinc/20/34/76/328203476.db2.gz JBIWZEDTZFOSOZ-NWDGAFQWSA-N 0 1 253.390 3.655 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000275665016 328215904 /nfs/dbraw/zinc/21/59/04/328215904.db2.gz WGJHBECDRLTRHA-NSHDSACASA-N 0 1 293.773 3.582 20 0 CHADMN CCC[C@H](NCc1cnn(CC)c1)c1ccsc1 ZINC000276887597 328219805 /nfs/dbraw/zinc/21/98/05/328219805.db2.gz GZIJERDSMIEIEQ-AWEZNQCLSA-N 0 1 263.410 3.596 20 0 CHADMN Cc1cc(CN[C@@H]2C[C@@H](C(C)C)c3ccccc32)on1 ZINC000278846082 328230980 /nfs/dbraw/zinc/23/09/80/328230980.db2.gz VDTRAOSHGAHNEB-DLBZAZTESA-N 0 1 270.376 3.957 20 0 CHADMN CCN(Cc1cnn(C)c1)Cc1csc2ccccc12 ZINC000171348444 328234248 /nfs/dbraw/zinc/23/42/48/328234248.db2.gz OKZMWOWYOILHPW-UHFFFAOYSA-N 0 1 285.416 3.657 20 0 CHADMN COc1ccc([C@H](C)NCc2cccc(Cl)c2)cc1O ZINC000289948852 328256873 /nfs/dbraw/zinc/25/68/73/328256873.db2.gz WLMZRVIEZICYEZ-NSHDSACASA-N 0 1 291.778 3.905 20 0 CHADMN C[C@H](NC1CC1)c1csc(-c2ccccc2F)n1 ZINC000291319421 328263122 /nfs/dbraw/zinc/26/31/22/328263122.db2.gz UOSSAYOFCYHINX-VIFPVBQESA-N 0 1 262.353 3.762 20 0 CHADMN CCC(=O)CCCN1CC(C)(C)[C@H]1c1cccs1 ZINC000295205249 328285331 /nfs/dbraw/zinc/28/53/31/328285331.db2.gz OCKAQIFFDVWDNA-CQSZACIVSA-N 0 1 265.422 3.890 20 0 CHADMN COC(=O)c1sccc1CN1CCCC[C@H]1C(C)C ZINC000395813127 329301303 /nfs/dbraw/zinc/30/13/03/329301303.db2.gz MCUYANZDFRZZDR-ZDUSSCGKSA-N 0 1 281.421 3.545 20 0 CHADMN CCn1cc([C@H](C)N[C@@H](C)c2cc(F)cc(F)c2)cn1 ZINC000296076612 328288996 /nfs/dbraw/zinc/28/89/96/328288996.db2.gz WZFKCSUYXGOKOL-QWRGUYRKSA-N 0 1 279.334 3.593 20 0 CHADMN CC[C@H](C)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000187697192 328301074 /nfs/dbraw/zinc/30/10/74/328301074.db2.gz RTABQACMXGPRPA-ZETCQYMHSA-N 0 1 263.225 3.602 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000187778583 328302877 /nfs/dbraw/zinc/30/28/77/328302877.db2.gz WHGSLXUHUBQYGS-DZGCQCFKSA-N 0 1 299.418 3.984 20 0 CHADMN Cc1ccccc1CNCc1cn2cc(Cl)ccc2n1 ZINC000048464694 328313491 /nfs/dbraw/zinc/31/34/91/328313491.db2.gz SOGWOHRVYLPOMP-UHFFFAOYSA-N 0 1 285.778 3.586 20 0 CHADMN Cc1ccc(CNCc2cn3cc(Cl)ccc3n2)cc1 ZINC000048464691 328313521 /nfs/dbraw/zinc/31/35/21/328313521.db2.gz DSVWOVAQVSPCIA-UHFFFAOYSA-N 0 1 285.778 3.586 20 0 CHADMN O=c1nc(-c2cccc(C(F)(F)F)c2)[nH]c2ccsc21 ZINC000048606349 328319306 /nfs/dbraw/zinc/31/93/06/328319306.db2.gz DCXXAUNJHAKBFY-UHFFFAOYSA-N 0 1 296.273 3.670 20 0 CHADMN CCC(=O)Nc1cccc(CN[C@H](C)c2ccsc2)c1 ZINC000531936522 328321744 /nfs/dbraw/zinc/32/17/44/328321744.db2.gz PXQVILHMLIKWEQ-GFCCVEGCSA-N 0 1 288.416 3.947 20 0 CHADMN O=C(Nc1ccc(Cl)c(F)c1)c1cccc2cn[nH]c21 ZINC000048791582 328322595 /nfs/dbraw/zinc/32/25/95/328322595.db2.gz ANDUTQFWVKRKKW-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN C[C@@H](NCc1ccccc1CO)c1ccc2ccccc2n1 ZINC000531952125 328334445 /nfs/dbraw/zinc/33/44/45/328334445.db2.gz CFDTYWJCUCZZPW-CQSZACIVSA-N 0 1 292.382 3.578 20 0 CHADMN Cc1ccc(NC(=O)CN2CCC[C@H]2C(C)C)c(Cl)c1 ZINC000049077798 328342941 /nfs/dbraw/zinc/34/29/41/328342941.db2.gz UKUOANCQQXDSTN-HNNXBMFYSA-N 0 1 294.826 3.707 20 0 CHADMN CCc1nnc(SCc2c(C)cc(C)cc2C)[nH]1 ZINC000049151785 328349862 /nfs/dbraw/zinc/34/98/62/328349862.db2.gz AULWSMBRUWTFLT-UHFFFAOYSA-N 0 1 261.394 3.585 20 0 CHADMN CCc1n[nH]c(SCc2c(C)cc(C)cc2C)n1 ZINC000049151785 328349864 /nfs/dbraw/zinc/34/98/64/328349864.db2.gz AULWSMBRUWTFLT-UHFFFAOYSA-N 0 1 261.394 3.585 20 0 CHADMN C[C@@H]1CN(CCc2ccccc2)C[C@H](c2ccc(F)cc2)O1 ZINC000303833056 328359764 /nfs/dbraw/zinc/35/97/64/328359764.db2.gz ACLNYFFCBYOMIS-DNVCBOLYSA-N 0 1 299.389 3.830 20 0 CHADMN CC(C)CN(C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000049442586 328360354 /nfs/dbraw/zinc/36/03/54/328360354.db2.gz MKNUMAWSORQAIG-UHFFFAOYSA-N 0 1 289.206 3.520 20 0 CHADMN CC(C)CN(C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000049442554 328361975 /nfs/dbraw/zinc/36/19/75/328361975.db2.gz WFKURUJAAXNFPC-UHFFFAOYSA-N 0 1 289.206 3.520 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2ccc(Cl)cc2Cl)C[C@H]1O ZINC000534862457 328365553 /nfs/dbraw/zinc/36/55/53/328365553.db2.gz JGSKAPJRSLAEII-IMSIIYSGSA-N 0 1 288.218 3.757 20 0 CHADMN CCCCSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000303944946 328370973 /nfs/dbraw/zinc/37/09/73/328370973.db2.gz ULQSDZMSIONAEU-UHFFFAOYSA-N 0 1 269.320 3.642 20 0 CHADMN Oc1cc(Cl)ccc1-c1nc(C2CCCC2)no1 ZINC000111686575 328374430 /nfs/dbraw/zinc/37/44/30/328374430.db2.gz AKWPIKDHNQYFTO-UHFFFAOYSA-N 0 1 264.712 3.753 20 0 CHADMN C[C@@H]1C[C@H]1CN(C)Cc1ccc(F)cc1Br ZINC000111734781 328378022 /nfs/dbraw/zinc/37/80/22/328378022.db2.gz AGSZKAPJDFEQFK-KOLCDFICSA-N 0 1 286.188 3.676 20 0 CHADMN c1ccc([C@H]2CCCN2CC2=Cc3ccccc3OC2)nc1 ZINC000535067239 328382857 /nfs/dbraw/zinc/38/28/57/328382857.db2.gz CBTQYRMMAFETAS-GOSISDBHSA-N 0 1 292.382 3.695 20 0 CHADMN CC(C)CN(Cc1ccc2nc[nH]c2c1)CC(F)(F)F ZINC000535074199 328384414 /nfs/dbraw/zinc/38/44/14/328384414.db2.gz WMMUMRGTSRAGHJ-UHFFFAOYSA-N 0 1 285.313 3.583 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN2C[C@@H](C)S[C@H](C)C2)o1 ZINC000535085046 328385959 /nfs/dbraw/zinc/38/59/59/328385959.db2.gz WFXIJHZUUKXXQB-HKUMRIAESA-N 0 1 265.422 3.729 20 0 CHADMN CCc1ccc(CN2CCc3ccc(O)cc3C2)s1 ZINC000535086271 328387114 /nfs/dbraw/zinc/38/71/14/328387114.db2.gz UNCIYFPVJAZRLW-UHFFFAOYSA-N 0 1 273.401 3.574 20 0 CHADMN COc1ccc(C2(NCc3cc(F)cc(F)c3)CC2)cc1 ZINC000535203268 328395851 /nfs/dbraw/zinc/39/58/51/328395851.db2.gz VKUZGCBZLUUCEL-UHFFFAOYSA-N 0 1 289.325 3.752 20 0 CHADMN COc1c(O)cccc1CN[C@H](c1cccs1)C1CC1 ZINC000342020394 328416143 /nfs/dbraw/zinc/41/61/43/328416143.db2.gz NSHJOLJRSNXDLB-HNNXBMFYSA-N 0 1 289.400 3.703 20 0 CHADMN C[C@H](NC1CCC(c2ccccc2)CC1)c1csnn1 ZINC000398466044 328593225 /nfs/dbraw/zinc/59/32/25/328593225.db2.gz LEKIQJQYFIMGGL-GRTSSRMGSA-N 0 1 287.432 3.915 20 0 CHADMN CCC(CC)(CNCc1c(F)cccc1Cl)OC ZINC000394103107 326813136 /nfs/dbraw/zinc/81/31/36/326813136.db2.gz XFUUUDBAMULVNY-UHFFFAOYSA-N 0 1 273.779 3.774 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1CCC(C)(C)CC1 ZINC000533403309 326828703 /nfs/dbraw/zinc/82/87/03/326828703.db2.gz PLQKBFKLVIKEOF-UHFFFAOYSA-N 0 1 294.826 3.709 20 0 CHADMN COc1ccc(CNC2(c3ccccc3)CCC2)c(OC)c1 ZINC000065275677 326859155 /nfs/dbraw/zinc/85/91/55/326859155.db2.gz YQMRQFAQNWEISG-UHFFFAOYSA-N 0 1 297.398 3.873 20 0 CHADMN FC(F)(F)OCCNCc1c(Cl)cccc1Cl ZINC000398133629 326872243 /nfs/dbraw/zinc/87/22/43/326872243.db2.gz LSIQSEJNPHZXIT-UHFFFAOYSA-N 0 1 288.096 3.619 20 0 CHADMN COc1ccc(CN[C@H]2CSc3ccccc32)cc1 ZINC000083748671 326937451 /nfs/dbraw/zinc/93/74/51/326937451.db2.gz DKMIXDZTQNVPGN-HNNXBMFYSA-N 0 1 271.385 3.632 20 0 CHADMN Cc1cccc(C(C)(C)NCc2cc(CO)ccc2F)c1 ZINC000528440364 326957752 /nfs/dbraw/zinc/95/77/52/326957752.db2.gz ZJJLJROLQNOZDY-UHFFFAOYSA-N 0 1 287.378 3.651 20 0 CHADMN C[C@H](N[C@@H]1CSC1(C)C)c1cccc(F)c1F ZINC000338772883 327006182 /nfs/dbraw/zinc/00/61/82/327006182.db2.gz CPLWUWPWIJFSIE-GZMMTYOYSA-N 0 1 257.349 3.509 20 0 CHADMN C[C@H](N[C@H]1CSC1(C)C)c1cccc(F)c1F ZINC000338772885 327006128 /nfs/dbraw/zinc/00/61/28/327006128.db2.gz CPLWUWPWIJFSIE-KWQFWETISA-N 0 1 257.349 3.509 20 0 CHADMN CC(C)(C)C[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000263299592 327008770 /nfs/dbraw/zinc/00/87/70/327008770.db2.gz CYMPNKGXTCJQCD-CQSZACIVSA-N 0 1 275.392 3.643 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000263349726 327020823 /nfs/dbraw/zinc/02/08/23/327020823.db2.gz PLHYBGJXDHMUAQ-UKRRQHHQSA-N 0 1 289.419 3.527 20 0 CHADMN CCn1cncc1CN[C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000090171572 327031851 /nfs/dbraw/zinc/03/18/51/327031851.db2.gz ZIICDZLHNNYULV-OAHLLOKOSA-N 0 1 287.407 3.608 20 0 CHADMN CCc1ccc([C@H]2CC[N@@H+](Cc3cc(C(=O)[O-])co3)C2)cc1 ZINC000584125170 327046853 /nfs/dbraw/zinc/04/68/53/327046853.db2.gz LVWIOMCTUSGMFG-HNNXBMFYSA-N 0 1 299.370 3.530 20 0 CHADMN COc1ccncc1CN(C)[C@@H]1CCCc2ccccc21 ZINC000558086650 327064046 /nfs/dbraw/zinc/06/40/46/327064046.db2.gz FLKNCHCHGIVXIU-QGZVFWFLSA-N 0 1 282.387 3.600 20 0 CHADMN COC[C@@H](NCC=C(C)C)c1cccc(Cl)c1F ZINC000558255989 327082129 /nfs/dbraw/zinc/08/21/29/327082129.db2.gz QDKUJPZBRRHROJ-CYBMUJFWSA-N 0 1 271.763 3.722 20 0 CHADMN CC[C@@H]1CCC[C@H](CN2CCOC[C@@H]2CC(F)F)C1 ZINC000558414516 327092403 /nfs/dbraw/zinc/09/24/03/327092403.db2.gz PGLPYYIXOVWGJU-RDBSUJKOSA-N 0 1 275.383 3.559 20 0 CHADMN Clc1ccc(CNCc2ccoc2)cc1Cl ZINC000069832979 327101262 /nfs/dbraw/zinc/10/12/62/327101262.db2.gz CYUUJJUREYGJTH-UHFFFAOYSA-N 0 1 256.132 3.876 20 0 CHADMN C[C@@H](N[C@@H]1CCC(C)(C)C1)c1nc(Cc2ccccc2)no1 ZINC000506925155 332782092 /nfs/dbraw/zinc/78/20/92/332782092.db2.gz GMVIOFCWUDSMTE-UKRRQHHQSA-N 0 1 299.418 3.890 20 0 CHADMN Cn1ncc2ccc(CNCc3sccc3Cl)cc21 ZINC000558652659 327112054 /nfs/dbraw/zinc/11/20/54/327112054.db2.gz CYEUBIYRYYFXFC-UHFFFAOYSA-N 0 1 291.807 3.578 20 0 CHADMN C[C@@H]1C[C@@H](C[N@H+]2CC[C@](F)(c3ccccc3F)C2)CCO1 ZINC000558864048 327127860 /nfs/dbraw/zinc/12/78/60/327127860.db2.gz LRKAVNKYKDPXGX-JKIFEVAISA-N 0 1 295.373 3.511 20 0 CHADMN Cc1c(CN[C@@H](C)c2ccc(C(F)(F)F)cc2)cnn1C ZINC000093649780 327132949 /nfs/dbraw/zinc/13/29/49/327132949.db2.gz GTSFKVSPHPZEOD-JTQLQIEISA-N 0 1 297.324 3.598 20 0 CHADMN CCOc1ccc(CN2C[C@H](C)S[C@@H](C)C2)cc1F ZINC000559111673 327141904 /nfs/dbraw/zinc/14/19/04/327141904.db2.gz HWCMYFXMAYUODB-RYUDHWBXSA-N 0 1 283.412 3.550 20 0 CHADMN CCc1ccc(CN2CC=C(C(C)(C)C)CC2)nc1 ZINC000559146062 327143324 /nfs/dbraw/zinc/14/33/24/327143324.db2.gz WUUVFAMLBZTPJM-UHFFFAOYSA-N 0 1 258.409 3.822 20 0 CHADMN c1ccc2c(c1)OC1(CCN([C@@H]3C=CCCCCC3)C1)O2 ZINC000559247490 327150208 /nfs/dbraw/zinc/15/02/08/327150208.db2.gz AYWFZEQMXCWAIV-OAHLLOKOSA-N 0 1 285.387 3.749 20 0 CHADMN Cc1cc(Cl)cc(CN[C@@H](CO)c2ccccc2C)c1 ZINC000559273462 327153203 /nfs/dbraw/zinc/15/32/03/327153203.db2.gz PPWUKFWONFPABE-KRWDZBQOSA-N 0 1 289.806 3.780 20 0 CHADMN C[C@@H](N[C@@H]1CCC(C)(C)c2ccccc21)c1cnccn1 ZINC000089516960 327171142 /nfs/dbraw/zinc/17/11/42/327171142.db2.gz XGMOSNHITDACJX-CZUORRHYSA-N 0 1 281.403 3.940 20 0 CHADMN Cc1occc1CNCc1ccccc1COC(C)C ZINC000569436212 327177191 /nfs/dbraw/zinc/17/71/91/327177191.db2.gz OSWZUAIWKKUWFU-UHFFFAOYSA-N 0 1 273.376 3.803 20 0 CHADMN Cc1ncc(CN[C@H](C)c2ccc(F)c(C)c2)s1 ZINC000449373061 327178074 /nfs/dbraw/zinc/17/80/74/327178074.db2.gz NJMVLXMDBCUFRU-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NCC[C@H](C)c1ccccc1 ZINC000410210328 327182717 /nfs/dbraw/zinc/18/27/17/327182717.db2.gz LEMUPRRRBCLLPJ-ZDUSSCGKSA-N 0 1 299.418 3.765 20 0 CHADMN C[C@H](NC(CF)CF)C1CCC(C(F)(F)F)CC1 ZINC000449383040 327184980 /nfs/dbraw/zinc/18/49/80/327184980.db2.gz ZXKGJHACNGMLAA-IDKOKCKLSA-N 0 1 273.289 3.641 20 0 CHADMN CC(C)[C@@H]1CCC[C@H](NCc2ncn(-c3ccccc3)n2)C1 ZINC000559357454 327187559 /nfs/dbraw/zinc/18/75/59/327187559.db2.gz AYFAPSWHYDBMJM-CVEARBPZSA-N 0 1 298.434 3.572 20 0 CHADMN CC(C)n1ccc(CN2CCC(C)(C(C)C)CC2)n1 ZINC000426776869 327191536 /nfs/dbraw/zinc/19/15/36/327191536.db2.gz IFUINOVKJOTBOQ-UHFFFAOYSA-N 0 1 263.429 3.722 20 0 CHADMN Cc1ncncc1[C@@H](C)NCc1ccc(C(F)(F)F)cc1 ZINC000572616976 327191724 /nfs/dbraw/zinc/19/17/24/327191724.db2.gz MJDYZWAVSUYYKE-SNVBAGLBSA-N 0 1 295.308 3.655 20 0 CHADMN CC(C)C[C@H](C)C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000410407405 327191994 /nfs/dbraw/zinc/19/19/94/327191994.db2.gz KQJWQYVRMSOGQJ-ZFWWWQNUSA-N 0 1 267.438 3.804 20 0 CHADMN CC(C)C[C@H](C)CN1CCO[C@H](c2ccsc2)C1 ZINC000410407405 327191995 /nfs/dbraw/zinc/19/19/95/327191995.db2.gz KQJWQYVRMSOGQJ-ZFWWWQNUSA-N 0 1 267.438 3.804 20 0 CHADMN CC(C)(C)CCCN1CCO[C@@H](c2cccs2)C1 ZINC000410412385 327192245 /nfs/dbraw/zinc/19/22/45/327192245.db2.gz BWFKMINWSXXLAS-CYBMUJFWSA-N 0 1 267.438 3.948 20 0 CHADMN C[C@H]1CN(Cc2cnc(C3CCC3)s2)C[C@H](C)S1 ZINC000092541304 327194861 /nfs/dbraw/zinc/19/48/61/327194861.db2.gz GOKHDSXVNYBINB-QWRGUYRKSA-N 0 1 282.478 3.736 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CC1CCC(C)(C)CC1 ZINC000569611688 327211929 /nfs/dbraw/zinc/21/19/29/327211929.db2.gz JCLHKMHYDBCILX-AWEZNQCLSA-N 0 1 269.429 3.634 20 0 CHADMN Cc1ccc(C)c(CN2CC=C(C(F)(F)F)CC2)c1 ZINC000533833776 327220681 /nfs/dbraw/zinc/22/06/81/327220681.db2.gz ZDVBJFJZPYYUFA-UHFFFAOYSA-N 0 1 269.310 3.998 20 0 CHADMN CCn1cc([C@@H](C)NCc2cccc(C(F)(F)F)c2)cn1 ZINC000044494453 327267010 /nfs/dbraw/zinc/26/70/10/327267010.db2.gz AFBAKGOWSVQZOP-LLVKDONJSA-N 0 1 297.324 3.773 20 0 CHADMN CCn1cc([C@@H](C)N[C@@H](C)c2ccc(F)c(F)c2)cn1 ZINC000044496432 327267495 /nfs/dbraw/zinc/26/74/95/327267495.db2.gz QUWKTPNMBLKIPQ-WDEREUQCSA-N 0 1 279.334 3.593 20 0 CHADMN C[C@H](N[C@H]1CCC[C@H]1F)c1cc(F)c(F)c(F)c1 ZINC000559915633 327270837 /nfs/dbraw/zinc/27/08/37/327270837.db2.gz HDWZJYPTLUPPBM-VMAXQDLPSA-N 0 1 261.262 3.645 20 0 CHADMN Cc1cccc(CNCc2ccc(C(F)F)cc2)n1 ZINC000150136824 327277606 /nfs/dbraw/zinc/27/76/06/327277606.db2.gz XQRJIECTKBDYIO-UHFFFAOYSA-N 0 1 262.303 3.617 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](Cc2cccs2)C2CC2)cc1 ZINC000049024471 327281206 /nfs/dbraw/zinc/28/12/06/327281206.db2.gz WOFDKSIKRSGTHV-UHFFFAOYSA-N 0 1 287.384 3.611 20 0 CHADMN C[C@@H]1CC[C@H](C)[C@H](NCc2noc(-c3cccs3)n2)C1 ZINC000560134204 327285612 /nfs/dbraw/zinc/28/56/12/327285612.db2.gz OCOQNLVOXKFDPU-GRYCIOLGSA-N 0 1 291.420 3.712 20 0 CHADMN Cc1ccccc1-c1cnc(CN2CCC(CF)CC2)o1 ZINC000560279152 327295994 /nfs/dbraw/zinc/29/59/94/327295994.db2.gz ZWBRZTHJTCFOJW-UHFFFAOYSA-N 0 1 288.366 3.832 20 0 CHADMN c1coc([C@H](NC[C@H]2CCCCO2)c2ccccc2)c1 ZINC000049899902 327298949 /nfs/dbraw/zinc/29/89/49/327298949.db2.gz KWZVLVLIVYGENW-NVXWUHKLSA-N 0 1 271.360 3.528 20 0 CHADMN C[C@H](NC1(Cc2ccc(F)cc2)CC1)c1cscn1 ZINC000560351593 327302044 /nfs/dbraw/zinc/30/20/44/327302044.db2.gz NKCOJYPJNUEIOJ-NSHDSACASA-N 0 1 276.380 3.708 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)on2)CC1 ZINC000583349897 327314395 /nfs/dbraw/zinc/31/43/95/327314395.db2.gz AZQHIHRKCMFNAK-ZDUSSCGKSA-N 0 1 264.413 3.984 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(C(C)(C)C)on2)CC1 ZINC000583349897 327314396 /nfs/dbraw/zinc/31/43/96/327314396.db2.gz AZQHIHRKCMFNAK-ZDUSSCGKSA-N 0 1 264.413 3.984 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)on2)CC1 ZINC000583349896 327314540 /nfs/dbraw/zinc/31/45/40/327314540.db2.gz AZQHIHRKCMFNAK-CYBMUJFWSA-N 0 1 264.413 3.984 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(C(C)(C)C)on2)CC1 ZINC000583349896 327314542 /nfs/dbraw/zinc/31/45/42/327314542.db2.gz AZQHIHRKCMFNAK-CYBMUJFWSA-N 0 1 264.413 3.984 20 0 CHADMN C(=C/c1ccccc1)\CN1CCOC2(CCCCC2)C1 ZINC000560544096 327322738 /nfs/dbraw/zinc/32/27/38/327322738.db2.gz OKGMLJXJWNWNEG-JXMROGBWSA-N 0 1 271.404 3.735 20 0 CHADMN FC1(CN2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000560569025 327325475 /nfs/dbraw/zinc/32/54/75/327325475.db2.gz ANGWERCUECJYFY-GFCCVEGCSA-N 0 1 253.748 3.631 20 0 CHADMN COc1ccc2ccccc2c1CN1CCC[C@H]1CF ZINC000560611092 327330883 /nfs/dbraw/zinc/33/08/83/327330883.db2.gz CBSKXRYDPIWLNO-AWEZNQCLSA-N 0 1 273.351 3.782 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]1Cc1c(Cl)cccc1C(=O)[O-] ZINC000566357802 327333887 /nfs/dbraw/zinc/33/38/87/327333887.db2.gz MOYGRJMDVNPKLP-CQSZACIVSA-N 0 1 281.783 3.659 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+](C)C1CCC(CC)CC1 ZINC000566358775 327334949 /nfs/dbraw/zinc/33/49/49/327334949.db2.gz MFVQWHJTSFXOGT-UHFFFAOYSA-N 0 1 293.407 3.941 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@@H](c3ccccc3C)C2)oc1C(=O)[O-] ZINC000566358577 327335296 /nfs/dbraw/zinc/33/52/96/327335296.db2.gz JBQXKQKXMZCGRY-CQSZACIVSA-N 0 1 299.370 3.584 20 0 CHADMN CCCC[C@H](CC)C[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000583387100 327337775 /nfs/dbraw/zinc/33/77/75/327337775.db2.gz YJZSSXDXZJKDFJ-HNNXBMFYSA-N 0 1 277.408 3.790 20 0 CHADMN CCCC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC000560709636 327338379 /nfs/dbraw/zinc/33/83/79/327338379.db2.gz LSDBIFQBGGFNTO-HNNXBMFYSA-N 0 1 296.842 3.639 20 0 CHADMN CC(C)[N@H+](Cc1ccc(C(=O)[O-])c(F)c1)CC1CCC1 ZINC000579253770 327360618 /nfs/dbraw/zinc/36/06/18/327360618.db2.gz JWQDZQGQGBGODZ-UHFFFAOYSA-N 0 1 279.355 3.534 20 0 CHADMN CN(C)[C@H](CNC(=O)C(C)(C)C(C)(C)C)c1cccs1 ZINC000561069190 327362870 /nfs/dbraw/zinc/36/28/70/327362870.db2.gz JHRDAWPGIAZSOJ-GFCCVEGCSA-N 0 1 296.480 3.539 20 0 CHADMN CCn1ccnc1CN[C@@H](CC1CC1)c1ccccc1 ZINC000561156736 327369948 /nfs/dbraw/zinc/36/99/48/327369948.db2.gz DNXUMCHUOIMDLS-INIZCTEOSA-N 0 1 269.392 3.534 20 0 CHADMN C[C@@H]1CC[N@@H+](CC[C@H]2C[C@H](C)C[C@H](C)C2)[C@H](C(=O)[O-])C1 ZINC000583446573 327371328 /nfs/dbraw/zinc/37/13/28/327371328.db2.gz JZZUKXCONUHDQC-OWYFMNJBSA-N 0 1 281.440 3.634 20 0 CHADMN Cc1cccnc1CN[C@H](C)c1cccc(N2CCCC2)c1 ZINC000561209591 327375071 /nfs/dbraw/zinc/37/50/71/327375071.db2.gz LLJWAKXREZUZJJ-MRXNPFEDSA-N 0 1 295.430 3.841 20 0 CHADMN CCc1ccc(CN[C@@H](c2ccccc2F)[C@H](C)O)cc1 ZINC000574761674 327375788 /nfs/dbraw/zinc/37/57/88/327375788.db2.gz LPQQQDRMOGKDLQ-SCLBCKFNSA-N 0 1 287.378 3.600 20 0 CHADMN CC(C)CCc1ccc(NS(=O)(=O)c2ccoc2)cc1 ZINC000561307102 327384749 /nfs/dbraw/zinc/38/47/49/327384749.db2.gz HSIIEGNVONJPDZ-UHFFFAOYSA-N 0 1 293.388 3.669 20 0 CHADMN CC1(C)CCC[C@H]1C[NH2+]Cc1c(F)ccc([O-])c1F ZINC000561322603 327385640 /nfs/dbraw/zinc/38/56/40/327385640.db2.gz YYACLNDCODQGPS-JTQLQIEISA-N 0 1 269.335 3.586 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1cccc(Oc2ccccc2)c1 ZINC000261825438 327389558 /nfs/dbraw/zinc/38/95/58/327389558.db2.gz AZPHHMRKXBQJAI-UHFFFAOYSA-N 0 1 299.370 3.776 20 0 CHADMN C[C@H]1CN(Cc2cccc(NCC3(C)CC3)c2)C[C@H](C)O1 ZINC000564511975 327390008 /nfs/dbraw/zinc/39/00/08/327390008.db2.gz DKTCGUHVIISVST-GJZGRUSLSA-N 0 1 288.435 3.508 20 0 CHADMN CCc1ccc(CNCc2cc(OC)nc3ccccc23)o1 ZINC000150852268 327390039 /nfs/dbraw/zinc/39/00/39/327390039.db2.gz RTFNMJIZVIDPKZ-UHFFFAOYSA-N 0 1 296.370 3.689 20 0 CHADMN Cc1cccc(C)c1CSc1nc(-c2ccccn2)n[nH]1 ZINC000561393667 327391937 /nfs/dbraw/zinc/39/19/37/327391937.db2.gz WJFYYLHWCPJQMF-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN C[C@@H](NCC1(C(F)(F)F)CC1)c1cc(F)ccc1F ZINC000507244591 332799709 /nfs/dbraw/zinc/79/97/09/332799709.db2.gz SAZZBSDJIMEVHT-MRVPVSSYSA-N 0 1 279.252 3.958 20 0 CHADMN Cc1ncc(CN[C@H]2CCCCc3ccccc32)o1 ZINC000335275191 327407890 /nfs/dbraw/zinc/40/78/90/327407890.db2.gz CRPWXEXQYHVKIV-INIZCTEOSA-N 0 1 256.349 3.540 20 0 CHADMN COc1cc(C)ccc1CNCc1ccc2ncccc2c1 ZINC000151024872 327411896 /nfs/dbraw/zinc/41/18/96/327411896.db2.gz POMJVYXAXLBUQM-UHFFFAOYSA-N 0 1 292.382 3.842 20 0 CHADMN Cc1ccc(-c2nnc([C@H](C)N[C@H]3CCC3(C)C)o2)cc1 ZINC000562293688 327464681 /nfs/dbraw/zinc/46/46/81/327464681.db2.gz JZDASERLJAWUJI-JSGCOSHPSA-N 0 1 285.391 3.884 20 0 CHADMN CC(C)[C@H]1CCC[C@@H]1NCc1noc(-c2cccs2)n1 ZINC000562520723 327488043 /nfs/dbraw/zinc/48/80/43/327488043.db2.gz PBHVRFNHNZKRBI-NEPJUHHUSA-N 0 1 291.420 3.712 20 0 CHADMN C[C@H](N[C@@H](CCc1ccccc1)C(F)F)[C@@H]1CCCOC1 ZINC000507442580 332805752 /nfs/dbraw/zinc/80/57/52/332805752.db2.gz ORAHTLBGGAGTBJ-IMJJTQAJSA-N 0 1 297.389 3.658 20 0 CHADMN CC[C@H](NCc1cc2ccccc2s1)c1ccn(C)n1 ZINC000562836986 327518896 /nfs/dbraw/zinc/51/88/96/327518896.db2.gz BGNHZURLXLYFIN-AWEZNQCLSA-N 0 1 285.416 3.876 20 0 CHADMN Cc1noc([C@@H](C)N[C@H]2CCC[C@H]2c2ccc(C)cc2)n1 ZINC000569758997 327545254 /nfs/dbraw/zinc/54/52/54/327545254.db2.gz NCBZWKAQOYUWOZ-KCXAZCMYSA-N 0 1 285.391 3.673 20 0 CHADMN Cc1nc([C@@H](C)NCCc2ccc(F)cc2F)cs1 ZINC000570191814 327575175 /nfs/dbraw/zinc/57/51/75/327575175.db2.gz XSBNHNBIDJDCEX-SECBINFHSA-N 0 1 282.359 3.623 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@@H]1CCc2c1cccc2O ZINC000507508175 332810662 /nfs/dbraw/zinc/81/06/62/332810662.db2.gz ISRZYCOQTZOMGY-MLGOLLRUSA-N 0 1 282.387 3.688 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1cccc(F)c1 ZINC000507521953 332812551 /nfs/dbraw/zinc/81/25/51/332812551.db2.gz CEFDRKPEQNRTJU-LBPRGKRZSA-N 0 1 258.340 3.634 20 0 CHADMN CCc1cc(CN[C@@H](C)c2ccc(CC)s2)on1 ZINC000532232557 328709426 /nfs/dbraw/zinc/70/94/26/328709426.db2.gz QGXOJUFXFHEVKA-JTQLQIEISA-N 0 1 264.394 3.712 20 0 CHADMN Clc1ccc(C2(CNCc3cocn3)CCCC2)cc1 ZINC000192295378 328727721 /nfs/dbraw/zinc/72/77/21/328727721.db2.gz KRTDNGHGWJTLNT-UHFFFAOYSA-N 0 1 290.794 3.930 20 0 CHADMN Cc1nccc(NCc2ccsc2)c1Br ZINC000309067429 328728593 /nfs/dbraw/zinc/72/85/93/328728593.db2.gz ADTNFVAEIFBWQY-UHFFFAOYSA-N 0 1 283.194 3.826 20 0 CHADMN Cc1ccc(CNCc2cn3cc(Cl)ccc3n2)s1 ZINC000042208071 328761961 /nfs/dbraw/zinc/76/19/61/328761961.db2.gz CQWPWCKFAKZROH-UHFFFAOYSA-N 0 1 291.807 3.647 20 0 CHADMN COCc1ccccc1CNCc1cc2ccccc2o1 ZINC000037500139 328805521 /nfs/dbraw/zinc/80/55/21/328805521.db2.gz YYRYMLANBRQSQC-UHFFFAOYSA-N 0 1 281.355 3.869 20 0 CHADMN CC(C)CCOCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000507811867 332825488 /nfs/dbraw/zinc/82/54/88/332825488.db2.gz YYTIOYUDELGOSS-OAHLLOKOSA-N 0 1 283.362 3.604 20 0 CHADMN C[C@@H](NCc1ccc2cc[nH]c2n1)c1ccc(F)cc1 ZINC000353592358 328855033 /nfs/dbraw/zinc/85/50/33/328855033.db2.gz ALSLUAZEUZUZJG-LLVKDONJSA-N 0 1 269.323 3.553 20 0 CHADMN C[C@H](NCc1ccc2cc[nH]c2n1)c1ccc(F)cc1 ZINC000353592359 328855044 /nfs/dbraw/zinc/85/50/44/328855044.db2.gz ALSLUAZEUZUZJG-NSHDSACASA-N 0 1 269.323 3.553 20 0 CHADMN CC(C)n1ccc(CN[C@H](c2cccs2)C2CC2)n1 ZINC000359322219 328897037 /nfs/dbraw/zinc/89/70/37/328897037.db2.gz MGUICKRJHPBMLW-HNNXBMFYSA-N 0 1 275.421 3.766 20 0 CHADMN Cc1cccn2c(CNc3cc4c(cn3)CCCC4)cnc12 ZINC000359470225 328897361 /nfs/dbraw/zinc/89/73/61/328897361.db2.gz UVHZRAGXUHVXQK-UHFFFAOYSA-N 0 1 292.386 3.529 20 0 CHADMN Cc1nn(C(C)C)cc1CNCc1ccc(Cl)s1 ZINC000360966069 328913060 /nfs/dbraw/zinc/91/30/60/328913060.db2.gz LDSBFQUPZTYKFE-UHFFFAOYSA-N 0 1 283.828 3.777 20 0 CHADMN CC(C)n1ncc2c1[C@H](N[C@H](C)c1ccccn1)CCC2 ZINC000375184368 329001535 /nfs/dbraw/zinc/00/15/35/329001535.db2.gz PSXLADTUYFNQJJ-CZUORRHYSA-N 0 1 284.407 3.587 20 0 CHADMN C[C@@H]1CCC[C@@H](N(C)C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000582451796 329011775 /nfs/dbraw/zinc/01/17/75/329011775.db2.gz AIKAEMFEAPQHRI-UKRRQHHQSA-N 0 1 297.402 3.727 20 0 CHADMN CC(C)n1cc(CN2CCC[C@H](c3ccccc3)CC2)nn1 ZINC000377629882 329021908 /nfs/dbraw/zinc/02/19/08/329021908.db2.gz TVLNOJCRKTWDOV-KRWDZBQOSA-N 0 1 298.434 3.629 20 0 CHADMN CCCO[C@H]1CCCN(Cc2ccc(Cl)cn2)CC1 ZINC000378484428 329052379 /nfs/dbraw/zinc/05/23/79/329052379.db2.gz VFMVYMFAIJOKRR-HNNXBMFYSA-N 0 1 282.815 3.516 20 0 CHADMN CCC[C@@H](C)C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000378519786 329053861 /nfs/dbraw/zinc/05/38/61/329053861.db2.gz KEJKTGAVUZTQBU-GFCCVEGCSA-N 0 1 272.392 3.539 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC([C@H]2CCOC2)CC1 ZINC000378640855 329057584 /nfs/dbraw/zinc/05/75/84/329057584.db2.gz BOYDRTOJWAMRJR-JSGCOSHPSA-N 0 1 295.373 3.774 20 0 CHADMN C[C@H](SCc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000193572959 329059541 /nfs/dbraw/zinc/05/95/41/329059541.db2.gz SBFCEHPZGJPBKO-JTQLQIEISA-N 0 1 259.378 3.677 20 0 CHADMN COc1cc(CN2CCC(C(F)(F)F)CC2)ccc1C ZINC000193671891 329060701 /nfs/dbraw/zinc/06/07/01/329060701.db2.gz WCACYCUGBNAHMR-UHFFFAOYSA-N 0 1 287.325 3.778 20 0 CHADMN Cc1ccc(F)cc1CSCc1n[nH]c(C2CC2)n1 ZINC000193728026 329061273 /nfs/dbraw/zinc/06/12/73/329061273.db2.gz UINGLPMHHXKVDL-UHFFFAOYSA-N 0 1 277.368 3.563 20 0 CHADMN C=Cn1cc(CN2CCS[C@H](C)[C@@H]2c2ccccc2)cn1 ZINC000193984323 329064623 /nfs/dbraw/zinc/06/46/23/329064623.db2.gz NXOAVVLKEDLSTA-RHSMWYFYSA-N 0 1 299.443 3.662 20 0 CHADMN CC(C)(NCc1c[nH]cn1)c1ccc(Cl)c(Cl)c1 ZINC000171133394 329074852 /nfs/dbraw/zinc/07/48/52/329074852.db2.gz AQAJGHGNUFZCBM-UHFFFAOYSA-N 0 1 284.190 3.741 20 0 CHADMN CC(C)c1noc(CN[C@H]2CCCC[C@H]2C(C)(C)C)n1 ZINC000171688841 329078157 /nfs/dbraw/zinc/07/81/57/329078157.db2.gz FWIYOIIEZRUDJW-OLZOCXBDSA-N 0 1 279.428 3.888 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2cn3ccsc3n2)C1 ZINC000171833568 329080370 /nfs/dbraw/zinc/08/03/70/329080370.db2.gz JVHZXGVLAOJMEX-CYBMUJFWSA-N 0 1 295.477 3.503 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@@H+](C)CCc1cccnc1 ZINC000172074840 329080831 /nfs/dbraw/zinc/08/08/31/329080831.db2.gz JPSMFZLSNPHOMG-ZDUSSCGKSA-N 0 1 274.795 3.971 20 0 CHADMN CC(=O)Nc1cccc(CN[C@H](C)c2ccc(F)cc2)c1 ZINC000171977116 329082628 /nfs/dbraw/zinc/08/26/28/329082628.db2.gz KOORAPVLJTWZEG-GFCCVEGCSA-N 0 1 286.350 3.635 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000582496232 329101147 /nfs/dbraw/zinc/10/11/47/329101147.db2.gz AMQQVCFGBAHHNZ-ZFWWWQNUSA-N 0 1 299.418 3.984 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000582496231 329101191 /nfs/dbraw/zinc/10/11/91/329101191.db2.gz AMQQVCFGBAHHNZ-UKRRQHHQSA-N 0 1 299.418 3.984 20 0 CHADMN C[N@@H+](CCC1CC1)Cc1c2ccccc2sc1C(=O)[O-] ZINC000394246159 329112034 /nfs/dbraw/zinc/11/20/34/329112034.db2.gz SEZKRJOOKDEZIR-UHFFFAOYSA-N 0 1 289.400 3.831 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000582671153 329122597 /nfs/dbraw/zinc/12/25/97/329122597.db2.gz HYQPICRJSGKHMI-WFASDCNBSA-N 0 1 293.794 3.803 20 0 CHADMN COc1ccccc1CN1CC[C@@](F)(c2ccccc2)C1 ZINC000582739878 329134680 /nfs/dbraw/zinc/13/46/80/329134680.db2.gz XSKZZRGZPMJUDB-SFHVURJKSA-N 0 1 285.362 3.766 20 0 CHADMN Cc1ccc(C[C@H](C)N(C)Cc2cscn2)cc1 ZINC000172434390 329135600 /nfs/dbraw/zinc/13/56/00/329135600.db2.gz RDEDLOYPEUJYDR-ZDUSSCGKSA-N 0 1 260.406 3.515 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN(C)CCC1CCCC1 ZINC000172733159 329138367 /nfs/dbraw/zinc/13/83/67/329138367.db2.gz CYOHHAXASKLXET-UHFFFAOYSA-N 0 1 288.435 3.754 20 0 CHADMN CC(C)[C@H](NCc1ccn(C)n1)c1ccc(Cl)cc1 ZINC000394844081 329153091 /nfs/dbraw/zinc/15/30/91/329153091.db2.gz WWHLJQZHNSKEDH-HNNXBMFYSA-N 0 1 277.799 3.560 20 0 CHADMN c1cc(-c2noc(CN3CCC4(CCCC4)C3)n2)cs1 ZINC000174270746 329156239 /nfs/dbraw/zinc/15/62/39/329156239.db2.gz PWGAXUNWFLSKGW-UHFFFAOYSA-N 0 1 289.404 3.564 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2nc(C)c(C)o2)C1 ZINC000174452363 329159153 /nfs/dbraw/zinc/15/91/53/329159153.db2.gz MLGPZXOCSYDZSF-HNNXBMFYSA-N 0 1 250.386 3.694 20 0 CHADMN Cn1c2ccc(Cl)cc2nc1CN1CCC2(CCC2)C1 ZINC000176931371 329179940 /nfs/dbraw/zinc/17/99/40/329179940.db2.gz GJVNIGNZDVBPLW-UHFFFAOYSA-N 0 1 289.810 3.603 20 0 CHADMN C[C@H](N(C)Cc1nc2cc(Cl)ccc2n1C)C1(C)CC1 ZINC000177230366 329182373 /nfs/dbraw/zinc/18/23/73/329182373.db2.gz ASLIYTDRTJMBTP-NSHDSACASA-N 0 1 291.826 3.847 20 0 CHADMN Fc1ccccc1CN1CCC(OCC2CCCC2)CC1 ZINC000177488523 329184608 /nfs/dbraw/zinc/18/46/08/329184608.db2.gz PCODCBDSVONDRS-UHFFFAOYSA-N 0 1 291.410 3.997 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000177554820 329185485 /nfs/dbraw/zinc/18/54/85/329185485.db2.gz JEKNILCTLFLUDE-YDHLFZDLSA-N 0 1 285.391 3.571 20 0 CHADMN CN(Cc1cncn1C)Cc1ccccc1-c1ccccc1 ZINC000177273810 329185624 /nfs/dbraw/zinc/18/56/24/329185624.db2.gz YJSTWYMCANOREL-UHFFFAOYSA-N 0 1 291.398 3.719 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1CC[C@@H](C)[C@H]1C ZINC000177893815 329193968 /nfs/dbraw/zinc/19/39/68/329193968.db2.gz WGWONPBOWPWCQN-MXWKQRLJSA-N 0 1 277.393 3.589 20 0 CHADMN CC[C@H](NCc1ccoc1)c1cc(C)ccc1OC ZINC000179404283 329205560 /nfs/dbraw/zinc/20/55/60/329205560.db2.gz DTDKXDMYOFRCFJ-HNNXBMFYSA-N 0 1 259.349 3.838 20 0 CHADMN CC(C)n1cc(CN2CCc3ccccc3[C@H]2C)cn1 ZINC000179490885 329209113 /nfs/dbraw/zinc/20/91/13/329209113.db2.gz HHJVVQJESWLVQT-CQSZACIVSA-N 0 1 269.392 3.583 20 0 CHADMN Cc1cnc(CN2CCC(Cc3ccccc3)CC2)s1 ZINC000180409786 329216044 /nfs/dbraw/zinc/21/60/44/329216044.db2.gz HANLOWJJDXLSLQ-UHFFFAOYSA-N 0 1 286.444 3.906 20 0 CHADMN COCCCN(C)Cc1ccc(Oc2ccccc2)o1 ZINC000180425298 329216707 /nfs/dbraw/zinc/21/67/07/329216707.db2.gz DSPGUZOXMRARQM-UHFFFAOYSA-N 0 1 275.348 3.540 20 0 CHADMN C[C@@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000180195393 329218493 /nfs/dbraw/zinc/21/84/93/329218493.db2.gz JRKZAHVVOXKUPV-MRXNPFEDSA-N 0 1 291.778 3.557 20 0 CHADMN CCc1ccsc1C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000180319471 329219653 /nfs/dbraw/zinc/21/96/53/329219653.db2.gz CVRFQMBSPPDHFT-UHFFFAOYSA-N 0 1 285.372 3.748 20 0 CHADMN Cc1cnc(C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)s1 ZINC000180496672 329220011 /nfs/dbraw/zinc/22/00/11/329220011.db2.gz BELBDUMGBLYSBG-WFASDCNBSA-N 0 1 272.417 3.830 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2c(F)cccc21)c1ccoc1 ZINC000181322040 329231432 /nfs/dbraw/zinc/23/14/32/329231432.db2.gz HFBKYBAANHWMPV-IAQYHMDHSA-N 0 1 275.323 3.983 20 0 CHADMN C[C@@H](NCc1nc(-c2ccoc2)no1)[C@@H](C)c1ccccc1 ZINC000181540664 329234094 /nfs/dbraw/zinc/23/40/94/329234094.db2.gz VYPRWTWHYCBWBA-CHWSQXEVSA-N 0 1 297.358 3.611 20 0 CHADMN COc1ccc(Cl)cc1[C@@H](C)NCc1cncc(C)c1 ZINC000181833458 329237714 /nfs/dbraw/zinc/23/77/14/329237714.db2.gz SSUOOPLAMLISDA-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CC[C@H]1C[C@H](C)CN1CC(=O)Nc1ccc(C)cc1Cl ZINC000467204992 329243180 /nfs/dbraw/zinc/24/31/80/329243180.db2.gz DXPDRXYWWCHMDL-STQMWFEESA-N 0 1 294.826 3.707 20 0 CHADMN C[C@H](CC1CCCCC1)CN1CCC[C@@H]1c1nncn1C ZINC000183382289 329247418 /nfs/dbraw/zinc/24/74/18/329247418.db2.gz JUBJMRYDVVHZEH-GDBMZVCRSA-N 0 1 290.455 3.559 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2C[C@@H]3CCC[C@@H]3C2)s1 ZINC000183605076 329251372 /nfs/dbraw/zinc/25/13/72/329251372.db2.gz MSXIEKGXNFUYFT-AOOOYVTPSA-N 0 1 290.354 3.702 20 0 CHADMN c1ccc(CNCc2nc3ccccc3n2C2CC2)cc1 ZINC000184783039 329264155 /nfs/dbraw/zinc/26/41/55/329264155.db2.gz DLURKYIBFPYABV-UHFFFAOYSA-N 0 1 277.371 3.661 20 0 CHADMN COC(=O)C(C)(C)CCN(C)[C@@H](C)c1ccccc1Cl ZINC000525977558 329268834 /nfs/dbraw/zinc/26/88/34/329268834.db2.gz WHEZNHZSUGWGTB-LBPRGKRZSA-N 0 1 297.826 3.922 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cnn(CC(C)C)c2)c1 ZINC000582824920 329272150 /nfs/dbraw/zinc/27/21/50/329272150.db2.gz LGZHSDPNHHMEMZ-UHFFFAOYSA-N 0 1 285.435 3.788 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000582971167 329296228 /nfs/dbraw/zinc/29/62/28/329296228.db2.gz UMNVXPICLZLQRI-HVHJFMEUSA-N 0 1 297.354 3.656 20 0 CHADMN CC(C)[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000395742563 329300838 /nfs/dbraw/zinc/30/08/38/329300838.db2.gz BMCDMALWZCBTIF-OAHLLOKOSA-N 0 1 279.355 3.534 20 0 CHADMN CC(C)[C@@H]1CCCCN1Cc1ccc(Br)cn1 ZINC000395904669 329301957 /nfs/dbraw/zinc/30/19/57/329301957.db2.gz UERMDIKSZWBYCQ-AWEZNQCLSA-N 0 1 297.240 3.855 20 0 CHADMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000583031065 329304846 /nfs/dbraw/zinc/30/48/46/329304846.db2.gz WZVODOGUOUHQSU-NWDGAFQWSA-N 0 1 293.382 3.923 20 0 CHADMN COc1cc([C@@H](C)N[C@@H]2C[C@@H](C)Oc3ccccc32)ccn1 ZINC000583035696 329306018 /nfs/dbraw/zinc/30/60/18/329306018.db2.gz VWGFPUSNKUVHOF-XJKCOSOUSA-N 0 1 298.386 3.653 20 0 CHADMN O=C([O-])c1occc1C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000583089953 329314284 /nfs/dbraw/zinc/31/42/84/329314284.db2.gz SFPJHVNFXRFXSH-CYBMUJFWSA-N 0 1 289.331 3.688 20 0 CHADMN CCO[C@H](C)c1nc(CN2CC[C@H](C)[C@H]2CC)cs1 ZINC000185663372 329328466 /nfs/dbraw/zinc/32/84/66/329328466.db2.gz LPGPVSKCEWIPIH-OUCADQQQSA-N 0 1 282.453 3.861 20 0 CHADMN CCO[C@H](C)c1nc(CN2CC[C@@H](C)[C@@H]2CC)cs1 ZINC000185663351 329328483 /nfs/dbraw/zinc/32/84/83/329328483.db2.gz LPGPVSKCEWIPIH-BZPMIXESSA-N 0 1 282.453 3.861 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)Cc1cc(O)cc(F)c1 ZINC000186169377 329338540 /nfs/dbraw/zinc/33/85/40/329338540.db2.gz CSPQENFDJHCIOL-LLVKDONJSA-N 0 1 277.314 3.863 20 0 CHADMN Cc1nc([C@@H](C)N[C@H](C)c2cccc(Cl)c2Cl)n[nH]1 ZINC000392462002 329340793 /nfs/dbraw/zinc/34/07/93/329340793.db2.gz NQJPOERALKBNBH-HTQZYQBOSA-N 0 1 299.205 3.832 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)c2ccccc2C(F)(F)F)n[nH]1 ZINC000392451017 329341378 /nfs/dbraw/zinc/34/13/78/329341378.db2.gz GSQICSXBDQDBHC-IUCAKERBSA-N 0 1 298.312 3.544 20 0 CHADMN CCC1(CC)CCN(Cc2nc(C)c(C)o2)CC1 ZINC000186561566 329345253 /nfs/dbraw/zinc/34/52/53/329345253.db2.gz YBFLQTJEZLWIAQ-UHFFFAOYSA-N 0 1 250.386 3.694 20 0 CHADMN COc1ccc2nc(CN3CCCC[C@@H]3C)sc2c1 ZINC000186562226 329345395 /nfs/dbraw/zinc/34/53/95/329345395.db2.gz MBMKNUVBIVJPJS-NSHDSACASA-N 0 1 276.405 3.679 20 0 CHADMN CCc1nc(CS[C@@H](C)c2ccc(F)cc2)n[nH]1 ZINC000186597592 329345882 /nfs/dbraw/zinc/34/58/82/329345882.db2.gz BVJCCAPTVHLAOI-VIFPVBQESA-N 0 1 265.357 3.501 20 0 CHADMN C[C@H](CO)N(Cc1c(F)cccc1Cl)C1CCCC1 ZINC000530359131 329355747 /nfs/dbraw/zinc/35/57/47/329355747.db2.gz NBAFPVFDBHNTDM-LLVKDONJSA-N 0 1 285.790 3.605 20 0 CHADMN Cc1ccc(CN[C@H](c2ncccc2C)C(C)C)c(C)n1 ZINC000187259086 329356070 /nfs/dbraw/zinc/35/60/70/329356070.db2.gz FOQDFWFFUGIWAF-KRWDZBQOSA-N 0 1 283.419 3.889 20 0 CHADMN CCOCCN(C)[C@H](C)c1cccc(Cl)c1F ZINC000187398423 329357259 /nfs/dbraw/zinc/35/72/59/329357259.db2.gz QOCUVIYVFSDQBS-SNVBAGLBSA-N 0 1 259.752 3.508 20 0 CHADMN Cc1ccc(NCc2n[nH]c(C3CC3)n2)cc1C(F)(F)F ZINC000187401421 329357388 /nfs/dbraw/zinc/35/73/88/329357388.db2.gz WXKJRKJJGZCAAP-UHFFFAOYSA-N 0 1 296.296 3.621 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(F)cc2F)c(C)n1 ZINC000187402191 329357442 /nfs/dbraw/zinc/35/74/42/329357442.db2.gz IOEUKTOOLNVCED-GFCCVEGCSA-N 0 1 276.330 3.827 20 0 CHADMN Cn1ccnc1[C@H](NCc1ccc(C(F)F)cc1)C1CC1 ZINC000187784070 329360677 /nfs/dbraw/zinc/36/06/77/329360677.db2.gz GJXZLIXMDAINJQ-CQSZACIVSA-N 0 1 291.345 3.599 20 0 CHADMN Cc1cccc2c1OCC[C@H]2N[C@H](C)c1cncc(F)c1 ZINC000189367149 329380426 /nfs/dbraw/zinc/38/04/26/329380426.db2.gz KUTJCKDLXODWRJ-MLGOLLRUSA-N 0 1 286.350 3.704 20 0 CHADMN CC(C)Cn1ccnc1NCc1ccccc1Cl ZINC000232685571 329389707 /nfs/dbraw/zinc/38/97/07/329389707.db2.gz UQDCQKATVARVLU-UHFFFAOYSA-N 0 1 263.772 3.805 20 0 CHADMN Cc1nnc([C@H](C)N2CCCC3(CCCCC3)CC2)o1 ZINC000190322698 329394798 /nfs/dbraw/zinc/39/47/98/329394798.db2.gz MAGXCEJNRQZIBL-ZDUSSCGKSA-N 0 1 277.412 3.875 20 0 CHADMN CCN(Cc1c[nH]c2ccccc12)Cc1c(C)noc1C ZINC000190498713 329397805 /nfs/dbraw/zinc/39/78/05/329397805.db2.gz AHSABYVQDRNJQY-UHFFFAOYSA-N 0 1 283.375 3.795 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)C[C@H]1CC[C@H](C)O1 ZINC000190399486 329398156 /nfs/dbraw/zinc/39/81/56/329398156.db2.gz POMXPXRUCUNPRD-GMXVVIOVSA-N 0 1 269.335 3.525 20 0 CHADMN COc1ccc(F)cc1[C@H](C)Nc1ccnc(C)c1Cl ZINC000509071093 332858040 /nfs/dbraw/zinc/85/80/40/332858040.db2.gz VGENIXKXKJPGPL-VIFPVBQESA-N 0 1 294.757 3.786 20 0 CHADMN Cc1ccncc1CN[C@@H](C)c1csc(Cl)c1 ZINC000235530259 329441273 /nfs/dbraw/zinc/44/12/73/329441273.db2.gz SLLUBQDSURKFHH-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN NC1(c2noc(CC/C=C\c3ccccc3)n2)CCCCC1 ZINC000584404986 329458092 /nfs/dbraw/zinc/45/80/92/329458092.db2.gz GCJCQSVPLYHCDB-WZUFQYTHSA-N 0 1 297.402 3.834 20 0 CHADMN Cc1ncc(CN[C@@H]2CCCOc3ccc(C)cc32)s1 ZINC000123706490 329561697 /nfs/dbraw/zinc/56/16/97/329561697.db2.gz XJFWLIMGUXTDNO-OAHLLOKOSA-N 0 1 288.416 3.763 20 0 CHADMN CC[C@H](NCc1sccc1C)c1ccc(F)cn1 ZINC000131369573 329635365 /nfs/dbraw/zinc/63/53/65/329635365.db2.gz OAOGMXKOLUSIBV-LBPRGKRZSA-N 0 1 264.369 3.832 20 0 CHADMN [O-]c1cccc(C[NH2+][C@@H]2CC3CCC2CC3)c1Cl ZINC000393274905 329694098 /nfs/dbraw/zinc/69/40/98/329694098.db2.gz UQWLUQOVVBTDHC-GCZXYKMCSA-N 0 1 265.784 3.714 20 0 CHADMN CC[C@@H](CN[C@H](C)c1nc(C(C)(C)C)cs1)OC ZINC000419252536 329714452 /nfs/dbraw/zinc/71/44/52/329714452.db2.gz VPGFSCXDQSDUHC-MNOVXSKESA-N 0 1 270.442 3.516 20 0 CHADMN Cc1nc2cc(NCC3(C)CCC3)ccc2n1[C@@H](C)CO ZINC000419770411 329745145 /nfs/dbraw/zinc/74/51/45/329745145.db2.gz XBDIIWILDQZWQS-LBPRGKRZSA-N 0 1 287.407 3.500 20 0 CHADMN CC(C)n1nccc1CN[C@@H](CC(F)F)c1ccccc1 ZINC000420990934 329796257 /nfs/dbraw/zinc/79/62/57/329796257.db2.gz HCNSRDPYUWCJFX-HNNXBMFYSA-N 0 1 293.361 3.950 20 0 CHADMN FC(F)c1ccnc(CNC2CC3(C2)CCCCC3)n1 ZINC000421355658 329815634 /nfs/dbraw/zinc/81/56/34/329815634.db2.gz JEWUXNXLFGIUEJ-UHFFFAOYSA-N 0 1 281.350 3.617 20 0 CHADMN C(NC1CC2(C1)CCCCC2)c1nnc(C2CC2)s1 ZINC000421386874 329819172 /nfs/dbraw/zinc/81/91/72/329819172.db2.gz RYKPJHTVAFAYGM-UHFFFAOYSA-N 0 1 277.437 3.618 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1nccn1Cc1ccccc1 ZINC000066531852 329849267 /nfs/dbraw/zinc/84/92/67/329849267.db2.gz VDOMBECHLORYGJ-HOTGVXAUSA-N 0 1 283.419 3.694 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1csc(Cl)c1 ZINC000248695348 329897360 /nfs/dbraw/zinc/89/73/60/329897360.db2.gz KVIZCZLYHAPTQT-RJIBLYRGSA-N 0 1 293.819 3.710 20 0 CHADMN C/C(=C\c1ccccc1)CN[C@@H](C)c1ccncc1F ZINC000509949625 332886515 /nfs/dbraw/zinc/88/65/15/332886515.db2.gz UMPHNGGAVFZKQH-UELRPHRMSA-N 0 1 270.351 3.975 20 0 CHADMN C[C@@H]1CN(Cc2csc3ccccc23)C[C@@H](C)O1 ZINC000077409842 329926850 /nfs/dbraw/zinc/92/68/50/329926850.db2.gz VVAAZHFGRNSYPC-VXGBXAGGSA-N 0 1 261.390 3.511 20 0 CHADMN O[C@@H](CNc1ccc2cnccc2c1)CC1CCCC1 ZINC000572275774 329966545 /nfs/dbraw/zinc/96/65/45/329966545.db2.gz DXPHJXYGZSURRZ-QGZVFWFLSA-N 0 1 270.376 3.588 20 0 CHADMN Cc1cccc(C2(c3nc(C4(N)CCC4)no3)CCCC2)c1 ZINC000261644300 329974248 /nfs/dbraw/zinc/97/42/48/329974248.db2.gz AMOINPAOGDCKMI-UHFFFAOYSA-N 0 1 297.402 3.576 20 0 CHADMN CC(C)c1ccc([C@H]2C[C@H]2c2nc(C3(N)CCC3)no2)cc1 ZINC000261614810 329975873 /nfs/dbraw/zinc/97/58/73/329975873.db2.gz BFMOLVNMNMUZBH-HUUCEWRRSA-N 0 1 297.402 3.802 20 0 CHADMN CC(C)c1ccc([C@@H]2C[C@H]2c2nc(C3(N)CCC3)no2)cc1 ZINC000261614812 329975938 /nfs/dbraw/zinc/97/59/38/329975938.db2.gz BFMOLVNMNMUZBH-LSDHHAIUSA-N 0 1 297.402 3.802 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263027741 330039368 /nfs/dbraw/zinc/03/93/68/330039368.db2.gz GMEMFEGWLVRHPN-IIAWOOMASA-N 0 1 281.440 3.636 20 0 CHADMN Cc1ccccc1CCC[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000263065497 330041623 /nfs/dbraw/zinc/04/16/23/330041623.db2.gz GBYFYXRWNDYXHK-MRXNPFEDSA-N 0 1 289.419 3.504 20 0 CHADMN CCCC1CCC(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)CC1 ZINC000263064221 330041718 /nfs/dbraw/zinc/04/17/18/330041718.db2.gz NOZORRNQDFOYQB-SLTXQBBLSA-N 0 1 281.440 3.636 20 0 CHADMN Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000263391580 330053812 /nfs/dbraw/zinc/05/38/12/330053812.db2.gz FLOLPFMPZMMPQW-INIZCTEOSA-N 0 1 295.382 3.569 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000263399935 330054064 /nfs/dbraw/zinc/05/40/64/330054064.db2.gz HRGPMUALZANTOV-ZFWWWQNUSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)C[C@@]1(C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263395914 330054152 /nfs/dbraw/zinc/05/41/52/330054152.db2.gz GNOBFLHKPIGJDM-QGZVFWFLSA-N 0 1 275.392 3.785 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000263440403 330055891 /nfs/dbraw/zinc/05/58/91/330055891.db2.gz WFECRKDTMILFCA-OAHLLOKOSA-N 0 1 275.392 3.643 20 0 CHADMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CC1 ZINC000263444600 330056280 /nfs/dbraw/zinc/05/62/80/330056280.db2.gz FOMBCGZKMVDTLM-OLZOCXBDSA-N 0 1 275.392 3.784 20 0 CHADMN Cc1ccc(-c2cccc(C[N@H+](C)C[C@H](C)C(=O)[O-])c2)cc1 ZINC000263462696 330057023 /nfs/dbraw/zinc/05/70/23/330057023.db2.gz CDLGQCZIJSMWDC-HNNXBMFYSA-N 0 1 297.398 3.815 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@@H]2C2CCCCC2)c1 ZINC000263483660 330057474 /nfs/dbraw/zinc/05/74/74/330057474.db2.gz ORJVKGDOJSDTDJ-QGZVFWFLSA-N 0 1 287.403 3.930 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])cc1)[C@@H](C)c1cccc(O)c1 ZINC000263573883 330059610 /nfs/dbraw/zinc/05/96/10/330059610.db2.gz MZXFNBOHTFDKDJ-ZDUSSCGKSA-N 0 1 299.370 3.674 20 0 CHADMN COc1ccc([C@@H](NCc2ccoc2)C2CC2)c(F)c1 ZINC000421827839 330084066 /nfs/dbraw/zinc/08/40/66/330084066.db2.gz ZTUJIXSTOPYPJX-INIZCTEOSA-N 0 1 275.323 3.668 20 0 CHADMN Cc1c([C@H](C)NCc2cc(C)nc(C)c2)cnn1C(C)C ZINC000421852930 330088337 /nfs/dbraw/zinc/08/83/37/330088337.db2.gz IGZKROXHEWJBKS-AWEZNQCLSA-N 0 1 286.423 3.635 20 0 CHADMN COC1([C@H](C)NCc2c(F)cc(F)cc2F)CCCC1 ZINC000421850289 330096107 /nfs/dbraw/zinc/09/61/07/330096107.db2.gz DBKHRHIPECCYTA-JTQLQIEISA-N 0 1 287.325 3.541 20 0 CHADMN CCn1cc([C@H](C)N[C@@H](CC(F)F)c2ccccc2)cn1 ZINC000421887898 330096444 /nfs/dbraw/zinc/09/64/44/330096444.db2.gz WEMJMGULGHXQOV-WFASDCNBSA-N 0 1 293.361 3.950 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@@H](CC(F)F)c1ccccc1 ZINC000421880118 330102316 /nfs/dbraw/zinc/10/23/16/330102316.db2.gz QACYXOGNMFTADI-NHYWBVRUSA-N 0 1 293.361 3.776 20 0 CHADMN Cc1cc(CN[C@@H](CC(C)C)c2ccccn2)cc(C)n1 ZINC000421892753 330104339 /nfs/dbraw/zinc/10/43/39/330104339.db2.gz WQNSPGSOSHFLQP-SFHVURJKSA-N 0 1 283.419 3.970 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc(F)c(F)c(F)c2)cc(C)n1 ZINC000421893920 330104564 /nfs/dbraw/zinc/10/45/64/330104564.db2.gz XLVNSTKREVPGCU-LLVKDONJSA-N 0 1 294.320 3.967 20 0 CHADMN Cc1cc(C)c(NC(=O)c2cccc3cn[nH]c32)c(C)c1 ZINC000080297033 330122465 /nfs/dbraw/zinc/12/24/65/330122465.db2.gz GOGGHEASJVXICH-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN CC(C)(C)c1ncc(CNCc2ccc(Cl)s2)cn1 ZINC000336810085 330127439 /nfs/dbraw/zinc/12/74/39/330127439.db2.gz YEIQNUAMLYILHM-UHFFFAOYSA-N 0 1 295.839 3.779 20 0 CHADMN CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1cccs1 ZINC000298099082 330143179 /nfs/dbraw/zinc/14/31/79/330143179.db2.gz XQIULYIVUBFLIW-STQMWFEESA-N 0 1 294.464 3.578 20 0 CHADMN CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@H]1c1cccs1 ZINC000298099082 330143180 /nfs/dbraw/zinc/14/31/80/330143180.db2.gz XQIULYIVUBFLIW-STQMWFEESA-N 0 1 294.464 3.578 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccc2c(c1)CCCN2 ZINC000423452070 330202878 /nfs/dbraw/zinc/20/28/78/330202878.db2.gz VVWYMXIFHUSWPI-CQSZACIVSA-N 0 1 295.430 3.853 20 0 CHADMN Cc1csc(CN(CCc2cccc(F)c2)C2CC2)n1 ZINC000081672272 330215199 /nfs/dbraw/zinc/21/51/99/330215199.db2.gz ALSMIZFSLLJBCM-UHFFFAOYSA-N 0 1 290.407 3.798 20 0 CHADMN CC(C)CO[C@H]1CCN(C/C=C/c2ccc(F)c(F)c2)C1 ZINC000580482653 330226336 /nfs/dbraw/zinc/22/63/36/330226336.db2.gz BNMNLYUHTSHDOF-BWPKMQGJSA-N 0 1 295.373 3.725 20 0 CHADMN COc1ccc([C@H](C)NCc2cnc(C)cc2C)cc1F ZINC000397070536 330238063 /nfs/dbraw/zinc/23/80/63/330238063.db2.gz YPMNUZSQWRFVTM-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2ccccc2F)cn1 ZINC000397067124 330238067 /nfs/dbraw/zinc/23/80/67/330238067.db2.gz VMHUONZIMHPNHR-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2ccc(F)cc2F)cn1 ZINC000397118503 330238662 /nfs/dbraw/zinc/23/86/62/330238662.db2.gz XNYMPBBHELPVEK-LBPRGKRZSA-N 0 1 276.330 3.827 20 0 CHADMN C[C@H](NCCCSc1ccccc1)c1cscn1 ZINC000536864562 330253625 /nfs/dbraw/zinc/25/36/25/330253625.db2.gz VJEITGFZKZNWEK-LBPRGKRZSA-N 0 1 278.446 3.976 20 0 CHADMN FC1(CN2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000527509932 330254797 /nfs/dbraw/zinc/25/47/97/330254797.db2.gz JIQCCOUQYMKCBL-ZDUSSCGKSA-N 0 1 253.748 3.979 20 0 CHADMN Cc1cc(CN(Cc2ccccc2)C[C@H]2CCCO2)ccn1 ZINC000527532493 330262616 /nfs/dbraw/zinc/26/26/16/330262616.db2.gz GPOLWUVJKLDCMK-LJQANCHMSA-N 0 1 296.414 3.571 20 0 CHADMN Cc1ccc(CNCc2ccncc2Cl)c(C)c1 ZINC000527640338 330268362 /nfs/dbraw/zinc/26/83/62/330268362.db2.gz IXYQDMAKNHUJSD-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN CCc1cccc2c1OCC[C@H]2NCc1ccnc(C)c1 ZINC000527655519 330273082 /nfs/dbraw/zinc/27/30/82/330273082.db2.gz HRXUEORZVXCKPS-QGZVFWFLSA-N 0 1 282.387 3.566 20 0 CHADMN CC(C)Cc1ccccc1CNCc1cnc(C2CC2)nc1 ZINC000527733324 330278296 /nfs/dbraw/zinc/27/82/96/330278296.db2.gz OMHSVZFDVRJHTR-UHFFFAOYSA-N 0 1 295.430 3.842 20 0 CHADMN Fc1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000527770274 330281912 /nfs/dbraw/zinc/28/19/12/330281912.db2.gz DYRBPDMXTWLIEP-QGZVFWFLSA-N 0 1 270.351 3.852 20 0 CHADMN c1cc(CN[C@@H](c2ccccn2)C2CCC2)cs1 ZINC000527771462 330282055 /nfs/dbraw/zinc/28/20/55/330282055.db2.gz IYMOHNKGHGLIGZ-OAHLLOKOSA-N 0 1 258.390 3.774 20 0 CHADMN COc1ccc(C(C)(C)NCc2ccc(C)o2)cc1F ZINC000527780169 330282910 /nfs/dbraw/zinc/28/29/10/330282910.db2.gz DJVDQZUNBKCBHD-UHFFFAOYSA-N 0 1 277.339 3.761 20 0 CHADMN C[C@H]1CC(F)(F)CCN1CCC(=O)c1ccc(F)cc1 ZINC000528773804 330283966 /nfs/dbraw/zinc/28/39/66/330283966.db2.gz RJURTBXTBIRTBV-NSHDSACASA-N 0 1 285.309 3.518 20 0 CHADMN CC[C@H](CCc1ccccc1)N[C@H](C)c1csnn1 ZINC000527907267 330290311 /nfs/dbraw/zinc/29/03/11/330290311.db2.gz FZRCQTJQDOPTQC-TZMCWYRMSA-N 0 1 275.421 3.600 20 0 CHADMN CC[C@H](NCc1cc(C)ncn1)c1cc(C)ccc1C ZINC000527876282 330291223 /nfs/dbraw/zinc/29/12/23/330291223.db2.gz QOOOADRELOQXKR-KRWDZBQOSA-N 0 1 269.392 3.643 20 0 CHADMN C[C@H](N[C@H]1CCC[C@@H](c2ccccc2)CC1)c1ncn(C)n1 ZINC000527895939 330292801 /nfs/dbraw/zinc/29/28/01/330292801.db2.gz VLEGAVRXSSTPFC-UAGQMJEPSA-N 0 1 298.434 3.582 20 0 CHADMN CCc1nc(CCNCc2c(F)cc(C)cc2F)cs1 ZINC000424151707 330297150 /nfs/dbraw/zinc/29/71/50/330297150.db2.gz HRCNBELBLDIGMF-UHFFFAOYSA-N 0 1 296.386 3.624 20 0 CHADMN Cc1cccc([C@H](C)NC[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000527936268 330298105 /nfs/dbraw/zinc/29/81/05/330298105.db2.gz SEORPCPNMWLOAJ-GXTWGEPZSA-N 0 1 297.324 3.646 20 0 CHADMN CCCCO[C@@H]1C[C@H](N[C@@H](C)c2ncccc2F)C1(C)C ZINC000528036454 330302936 /nfs/dbraw/zinc/30/29/36/330302936.db2.gz SRSUHMKWUUNSCB-AEGPPILISA-N 0 1 294.414 3.855 20 0 CHADMN Cc1cc(F)c(CNc2ccc3c(c2)CN(C)C3)c(F)c1 ZINC000424160876 330306792 /nfs/dbraw/zinc/30/67/92/330306792.db2.gz XNARLXOUANHLOV-UHFFFAOYSA-N 0 1 288.341 3.831 20 0 CHADMN Fc1ccc2c(c1)nccc2NCC[C@@H]1CCCOC1 ZINC000528072169 330307017 /nfs/dbraw/zinc/30/70/17/330307017.db2.gz ILOBLSBIDKCJGE-LBPRGKRZSA-N 0 1 274.339 3.603 20 0 CHADMN Cc1cc(F)c(CNCCSC(C)C)c(F)c1 ZINC000424166836 330309417 /nfs/dbraw/zinc/30/94/17/330309417.db2.gz CSYUGBJJHCESIE-UHFFFAOYSA-N 0 1 259.365 3.504 20 0 CHADMN CC(C)n1cncc1CN[C@@H]1CCc2sc(Cl)cc21 ZINC000424168668 330310335 /nfs/dbraw/zinc/31/03/35/330310335.db2.gz GIDIOGIOLXAGCJ-GFCCVEGCSA-N 0 1 295.839 3.956 20 0 CHADMN Cc1nccc(N2CCC(F)(F)C[C@@H]2C)c1Cl ZINC000528204937 330313085 /nfs/dbraw/zinc/31/30/85/330313085.db2.gz AKDRBUIDVVEDIC-QMMMGPOBSA-N 0 1 260.715 3.667 20 0 CHADMN Cc1cc([C@H](C)NCc2sc(C)nc2C)c(C)o1 ZINC000076867881 330317754 /nfs/dbraw/zinc/31/77/54/330317754.db2.gz JZZJPSKUDXEDEN-VIFPVBQESA-N 0 1 264.394 3.821 20 0 CHADMN Cc1cc([C@@H](C)NCc2sc(C)nc2C)c(C)o1 ZINC000076867879 330317771 /nfs/dbraw/zinc/31/77/71/330317771.db2.gz JZZJPSKUDXEDEN-SECBINFHSA-N 0 1 264.394 3.821 20 0 CHADMN COc1ccc([C@@H]2CCCN2C/C=C(\C)Cl)cc1OC ZINC000528340157 330319632 /nfs/dbraw/zinc/31/96/32/330319632.db2.gz JLXUQRMUWGDCST-BCNIOPEESA-N 0 1 295.810 3.983 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)Cc2ncccc2Cl)C1 ZINC000528354574 330321658 /nfs/dbraw/zinc/32/16/58/330321658.db2.gz WHMZBKQBBRSPCB-NWDGAFQWSA-N 0 1 252.789 3.746 20 0 CHADMN CSc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C)c1 ZINC000532957753 330322995 /nfs/dbraw/zinc/32/29/95/330322995.db2.gz WWKCUYCBTKZACL-GFCCVEGCSA-N 0 1 294.464 3.713 20 0 CHADMN CCN(CC(=O)Nc1cccc2ccccc21)C1CCC1 ZINC000532979066 330323575 /nfs/dbraw/zinc/32/35/75/330323575.db2.gz TXAJDZOFJQBHLL-UHFFFAOYSA-N 0 1 282.387 3.653 20 0 CHADMN COCc1ccc(CN[C@@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC000424209142 330328186 /nfs/dbraw/zinc/32/81/86/330328186.db2.gz ZEFOKNPFWFKKDY-QZTJIDSGSA-N 0 1 285.362 3.560 20 0 CHADMN COc1ccc([C@H](C)NCc2cncc(C)c2)c(Cl)c1 ZINC000424294123 330335580 /nfs/dbraw/zinc/33/55/80/330335580.db2.gz WXTPDOMPLQKBJD-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1ccc([C@@H]2C[C@H]2c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000424337998 330343744 /nfs/dbraw/zinc/34/37/44/330343744.db2.gz MHQKNIYDPQGQJR-ZNMIVQPWSA-N 0 1 285.391 3.695 20 0 CHADMN Cc1cc(C)cc(CCc2nc(C3(N)CCCCC3)no2)c1 ZINC000424339549 330343946 /nfs/dbraw/zinc/34/39/46/330343946.db2.gz DAEMAHKBATVXEE-UHFFFAOYSA-N 0 1 299.418 3.590 20 0 CHADMN Cc1ccc(CCCc2nc(C3(N)CCCCC3)no2)cc1 ZINC000424344104 330344501 /nfs/dbraw/zinc/34/45/01/330344501.db2.gz KUTXKZSWKOSCOH-UHFFFAOYSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1ccccc1/C=C\c1nc(C2(N)CCCCC2)no1 ZINC000424343677 330344527 /nfs/dbraw/zinc/34/45/27/330344527.db2.gz KCYJOLZOAQBPPZ-KTKRTIGZSA-N 0 1 283.375 3.667 20 0 CHADMN Cc1ccc(CCc2nc(C3(N)CCCCC3)no2)c(C)c1 ZINC000424349908 330345235 /nfs/dbraw/zinc/34/52/35/330345235.db2.gz WWGHYQHYRXAUBO-UHFFFAOYSA-N 0 1 299.418 3.590 20 0 CHADMN CC[C@@H](N[C@H]1CCc2ccccc21)c1nccs1 ZINC000080257705 330345268 /nfs/dbraw/zinc/34/52/68/330345268.db2.gz UCORLHBQCJZJJG-KGLIPLIRSA-N 0 1 258.390 3.871 20 0 CHADMN CCc1cnc(CN2CCC(C)(c3ccccc3)CC2)o1 ZINC000533117399 330347254 /nfs/dbraw/zinc/34/72/54/330347254.db2.gz RXCNYCOLVVFCOB-UHFFFAOYSA-N 0 1 284.403 3.791 20 0 CHADMN C[C@@H]1CCC[N@@H+](CCC2CCCCCC2)[C@H]1C(=O)[O-] ZINC000424423289 330351561 /nfs/dbraw/zinc/35/15/61/330351561.db2.gz UVBDRRYUAJSQIQ-UKRRQHHQSA-N 0 1 267.413 3.532 20 0 CHADMN COC(=O)c1oc(CN(C)[C@@H](C)c2ccccc2)cc1C ZINC000046503059 330353966 /nfs/dbraw/zinc/35/39/66/330353966.db2.gz TYLGQWGRYJFONU-ZDUSSCGKSA-N 0 1 287.359 3.568 20 0 CHADMN CC[C@H](C)NC(=O)[C@H](C)N(C)Cc1cccc2ccccc21 ZINC000533240325 330354507 /nfs/dbraw/zinc/35/45/07/330354507.db2.gz LXPPYGSSSNZMKO-GJZGRUSLSA-N 0 1 298.430 3.575 20 0 CHADMN CC[C@@H](C)NC(=O)[C@H](C)N(C)Cc1cccc2ccccc21 ZINC000533240324 330354510 /nfs/dbraw/zinc/35/45/10/330354510.db2.gz LXPPYGSSSNZMKO-CABCVRRESA-N 0 1 298.430 3.575 20 0 CHADMN CC[N@@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000533246488 330355266 /nfs/dbraw/zinc/35/52/66/330355266.db2.gz XNEUQROOKCZHMM-UHFFFAOYSA-N 0 1 263.425 3.502 20 0 CHADMN Fc1ccccc1C1CCN(Cc2ccccn2)CC1 ZINC000533301771 330356698 /nfs/dbraw/zinc/35/66/98/330356698.db2.gz ODRACQSDZONECN-UHFFFAOYSA-N 0 1 270.351 3.600 20 0 CHADMN C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+](C)CCCC(=O)[O-] ZINC000083662791 330358648 /nfs/dbraw/zinc/35/86/48/330358648.db2.gz UOGLVNFAGSINHF-VIFPVBQESA-N 0 1 290.190 3.851 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000212809611 330367430 /nfs/dbraw/zinc/36/74/30/330367430.db2.gz DEQVHYRPKZHONI-BZNIZROVSA-N 0 1 293.769 3.863 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000086775901 330370790 /nfs/dbraw/zinc/37/07/90/330370790.db2.gz KFCUVHVZBFCEKY-VIFPVBQESA-N 0 1 290.190 3.851 20 0 CHADMN CCO[C@H](C)c1noc(CN(CC)[C@@H]2CCCC[C@@H]2C)n1 ZINC000120158329 330385976 /nfs/dbraw/zinc/38/59/76/330385976.db2.gz GSXSBMGYWCQHIO-BFHYXJOUSA-N 0 1 295.427 3.568 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC000089575404 330386124 /nfs/dbraw/zinc/38/61/24/330386124.db2.gz UJIFRDFHKQZEQF-HNNXBMFYSA-N 0 1 267.413 3.534 20 0 CHADMN CCC[C@H]1CCCN([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000120858995 330393101 /nfs/dbraw/zinc/39/31/01/330393101.db2.gz YMYPIAUTNXGZFO-STQMWFEESA-N 0 1 265.401 3.766 20 0 CHADMN CCCCO[C@@H]1C[C@@H](N[C@@H](C)c2nccs2)C1(C)C ZINC000091733121 330402746 /nfs/dbraw/zinc/40/27/46/330402746.db2.gz SKDKZGIHUPZVQD-YNEHKIRRSA-N 0 1 282.453 3.778 20 0 CHADMN CCCC[C@@H](C)NCc1c(F)cc(F)c(F)c1F ZINC000430742365 330572274 /nfs/dbraw/zinc/57/22/74/330572274.db2.gz WMRVWGIXYWMWMZ-MRVPVSSYSA-N 0 1 263.278 3.911 20 0 CHADMN Fc1cc(CNC/C=C\c2ccncc2)c(F)cc1Cl ZINC000433183597 330619201 /nfs/dbraw/zinc/61/92/01/330619201.db2.gz SEOQNTXFFUISNW-UPHRSURJSA-N 0 1 294.732 3.816 20 0 CHADMN OCC1(CNCc2c(F)cccc2Cl)CC2(CCC2)C1 ZINC000433194387 330619513 /nfs/dbraw/zinc/61/95/13/330619513.db2.gz WUDBVTMQEYRFLK-UHFFFAOYSA-N 0 1 297.801 3.512 20 0 CHADMN C[C@H]1CCCC[C@@H]1NCc1noc(-c2ccccc2F)n1 ZINC000435023444 330648231 /nfs/dbraw/zinc/64/82/31/330648231.db2.gz KIIVMAAJEDCDJN-FZMZJTMJSA-N 0 1 289.354 3.544 20 0 CHADMN COc1cc([C@H](C)NCc2ccsc2)ccc1F ZINC000154476954 330659273 /nfs/dbraw/zinc/65/92/73/330659273.db2.gz HRXDJPSUTOJFNI-JTQLQIEISA-N 0 1 265.353 3.747 20 0 CHADMN CCCCCOc1ccc([C@H](C)NCCF)cc1 ZINC000436295822 330674290 /nfs/dbraw/zinc/67/42/90/330674290.db2.gz HQRRKXZNUIBREW-ZDUSSCGKSA-N 0 1 253.361 3.876 20 0 CHADMN CCSc1cccc(NC(=O)c2c(O)cccc2F)c1 ZINC000436957092 330689907 /nfs/dbraw/zinc/68/99/07/330689907.db2.gz RVHJRIICDITRNY-UHFFFAOYSA-N 0 1 291.347 3.896 20 0 CHADMN Cc1cnc(CN[C@H]2CC(C)(C)CCc3ccccc32)cn1 ZINC000440607927 330752488 /nfs/dbraw/zinc/75/24/88/330752488.db2.gz GULUGGNDGMBXJY-SFHVURJKSA-N 0 1 295.430 3.978 20 0 CHADMN CC[C@H](F)CN[C@H](C)c1ccccc1OC(F)F ZINC000440786144 330756446 /nfs/dbraw/zinc/75/64/46/330756446.db2.gz YCIVNTXEJMZMKW-ZJUUUORDSA-N 0 1 261.287 3.687 20 0 CHADMN Cc1ccc(NC(=O)CN2CCC(C(C)C)CC2)c(C)c1 ZINC000441437747 330768577 /nfs/dbraw/zinc/76/85/77/330768577.db2.gz QIADRJXBENJRHT-UHFFFAOYSA-N 0 1 288.435 3.610 20 0 CHADMN Cc1cc(N2C[C@H](C)O[C@@H](C)[C@@H]2C)c2cc(F)ccc2n1 ZINC000445663981 330834223 /nfs/dbraw/zinc/83/42/23/330834223.db2.gz IXRBMOXFDMAZFB-AVGNSLFASA-N 0 1 288.366 3.684 20 0 CHADMN CC1(C)CC[C@H](N[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000446926532 330858186 /nfs/dbraw/zinc/85/81/86/330858186.db2.gz YTHVLRKIVORQAO-LSDHHAIUSA-N 0 1 269.392 3.667 20 0 CHADMN CC(C)c1nnc(CNCC[C@H](C)c2ccccc2)s1 ZINC000447810251 330877462 /nfs/dbraw/zinc/87/74/62/330877462.db2.gz HRGJANSEKMVYIY-ZDUSSCGKSA-N 0 1 289.448 3.945 20 0 CHADMN Fc1ccc2c(c1)nccc2NC[C@H]1CCSC1 ZINC000447813416 330877554 /nfs/dbraw/zinc/87/75/54/330877554.db2.gz RSESKNIDIXPECS-SNVBAGLBSA-N 0 1 262.353 3.539 20 0 CHADMN Clc1ccc([C@@H]2CC[C@@H](NCc3cocn3)C2)cc1 ZINC000449159334 330902363 /nfs/dbraw/zinc/90/23/63/330902363.db2.gz ZISCDYXOXNRCHU-TZMCWYRMSA-N 0 1 276.767 3.754 20 0 CHADMN COc1cc(C)ccc1CNCc1ccc(C)cc1OC ZINC000449197815 330905673 /nfs/dbraw/zinc/90/56/73/330905673.db2.gz XZCJFAANCLDFTM-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN Cc1cc([C@@H](NCc2ccncc2F)C2CC2)ccc1F ZINC000449209021 330906288 /nfs/dbraw/zinc/90/62/88/330906288.db2.gz FLPUMQZDIUZRBD-KRWDZBQOSA-N 0 1 288.341 3.909 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@@H](C)c1cncc(F)c1 ZINC000162393053 330909511 /nfs/dbraw/zinc/90/95/11/330909511.db2.gz HWUUJIBUYHJXDF-STQMWFEESA-N 0 1 288.366 3.950 20 0 CHADMN CC[C@@H](NC1CCC(C(F)(F)F)CC1)C(F)F ZINC000449361058 330918700 /nfs/dbraw/zinc/91/87/00/330918700.db2.gz KLLAMJCNCGZMBL-AMDVSUOASA-N 0 1 259.262 3.741 20 0 CHADMN CC1(F)CC(NCc2nc(-c3ccccc3)cs2)C1 ZINC000449371701 330919741 /nfs/dbraw/zinc/91/97/41/330919741.db2.gz XSFUDLUOZWEDME-UHFFFAOYSA-N 0 1 276.380 3.790 20 0 CHADMN C[C@@H](CC(C)(C)c1ccccc1)NC(CF)CF ZINC000449379164 330920805 /nfs/dbraw/zinc/92/08/05/330920805.db2.gz GZALECUUODGEGF-LBPRGKRZSA-N 0 1 255.352 3.640 20 0 CHADMN Cc1ccc(CN2CC(c3ccc(Cl)cc3)C2)cn1 ZINC000449555863 330936353 /nfs/dbraw/zinc/93/63/53/330936353.db2.gz JULOEFZPGABVKQ-UHFFFAOYSA-N 0 1 272.779 3.643 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cnc(C3CC3)o1)[C@H](C)C2 ZINC000449708720 330945607 /nfs/dbraw/zinc/94/56/07/330945607.db2.gz WESZYTHUVHUXDI-PXAZEXFGSA-N 0 1 282.387 3.884 20 0 CHADMN CCO[C@@H]1CCCC[C@H]1NCc1csc(C(C)C)n1 ZINC000449760267 330948269 /nfs/dbraw/zinc/94/82/69/330948269.db2.gz NGAVKDSWAXGQBQ-ZIAGYGMSSA-N 0 1 282.453 3.704 20 0 CHADMN Cc1nc(C2(NCC3CC(F)(F)C3)CCCCCC2)no1 ZINC000450518912 330984752 /nfs/dbraw/zinc/98/47/52/330984752.db2.gz KKDBZJYVPITSSL-UHFFFAOYSA-N 0 1 299.365 3.562 20 0 CHADMN C[C@H](N[C@H]1CCC[C@@H]1c1ccccc1)c1csnn1 ZINC000450823386 331001273 /nfs/dbraw/zinc/00/12/73/331001273.db2.gz UKSLLHKXQWHSRX-YUTCNCBUSA-N 0 1 273.405 3.525 20 0 CHADMN CC(C)c1ncc(CN(C)C[C@@H]2CCCCC2(F)F)cn1 ZINC000450908096 331006537 /nfs/dbraw/zinc/00/65/37/331006537.db2.gz LONOZIRQCVKNAF-AWEZNQCLSA-N 0 1 297.393 3.857 20 0 CHADMN C[C@]1(C(=O)Nc2cc(F)cc(Cl)c2O)CC=CCC1 ZINC000450952626 331008563 /nfs/dbraw/zinc/00/85/63/331008563.db2.gz USOPDKJKNXAICK-AWEZNQCLSA-N 0 1 283.730 3.870 20 0 CHADMN COCC[C@@H](c1ccccc1)[N@H+]1CCC[C@](C)(F)C1 ZINC000451117325 331016158 /nfs/dbraw/zinc/01/61/58/331016158.db2.gz UVWBNXLXVNLILC-HOTGVXAUSA-N 0 1 265.372 3.588 20 0 CHADMN CC(=O)Nc1cccc(C[N@@H+](C)CCc2ccccc2C)c1 ZINC000451163706 331018234 /nfs/dbraw/zinc/01/82/34/331018234.db2.gz AERTXOCSMOELGD-UHFFFAOYSA-N 0 1 296.414 3.628 20 0 CHADMN CC(C)c1nnc(C[N@H+]2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)[nH]1 ZINC000451188504 331019603 /nfs/dbraw/zinc/01/96/03/331019603.db2.gz QITRLDHUCJTGAO-YCPHGPKFSA-N 0 1 298.434 3.695 20 0 CHADMN CC(C)c1nnc(CN2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)[nH]1 ZINC000451188504 331019604 /nfs/dbraw/zinc/01/96/04/331019604.db2.gz QITRLDHUCJTGAO-YCPHGPKFSA-N 0 1 298.434 3.695 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC(CF)CC1 ZINC000451388555 331026846 /nfs/dbraw/zinc/02/68/46/331026846.db2.gz LHKSJKPJLZODTB-JTQLQIEISA-N 0 1 257.299 3.707 20 0 CHADMN CCO[C@H]1CCN(Cc2nc3ccccc3s2)C[C@@H]1C ZINC000451524256 331032551 /nfs/dbraw/zinc/03/25/51/331032551.db2.gz KVAMFTFSXZBIMS-JSGCOSHPSA-N 0 1 290.432 3.543 20 0 CHADMN CC(C)(C)c1cc(CN2C[C@@H]3CCCC[C@@H]3C2)no1 ZINC000451578203 331035151 /nfs/dbraw/zinc/03/51/51/331035151.db2.gz GRIJLPWFIOPTQS-BETUJISGSA-N 0 1 262.397 3.594 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CCCc3ccccc3CC2)n1 ZINC000451712886 331039825 /nfs/dbraw/zinc/03/98/25/331039825.db2.gz RFRSQCYTKVZEOY-CQSZACIVSA-N 0 1 299.418 3.745 20 0 CHADMN FCCCCN1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451880583 331046145 /nfs/dbraw/zinc/04/61/45/331046145.db2.gz WZDCNXTUXKDMHJ-HNNXBMFYSA-N 0 1 275.371 3.840 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H]2CCC[C@H]2CC)c1 ZINC000451900275 331046731 /nfs/dbraw/zinc/04/67/31/331046731.db2.gz ZSNHAOSRNKQHAL-YPMHNXCESA-N 0 1 289.375 3.750 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC[C@]2(CCOC2)C1 ZINC000451910825 331047086 /nfs/dbraw/zinc/04/70/86/331047086.db2.gz ZAKLOBKEZDEPJQ-LRDDRELGSA-N 0 1 281.346 3.528 20 0 CHADMN CCC(=O)CCCN1CCC[C@@H]1c1ccc(F)cc1F ZINC000451972002 331049048 /nfs/dbraw/zinc/04/90/48/331049048.db2.gz NULCGQSJMZJXSD-MRXNPFEDSA-N 0 1 281.346 3.861 20 0 CHADMN C[C@H]1CCC(C)(C)N1Cc1csc(N(C)C2CC2)n1 ZINC000452002171 331049956 /nfs/dbraw/zinc/04/99/56/331049956.db2.gz DOAITQHVRNCCHC-NSHDSACASA-N 0 1 279.453 3.505 20 0 CHADMN C[C@H]1CCC(C)(C)N1Cc1cc(C(C)(C)C)on1 ZINC000452007461 331050313 /nfs/dbraw/zinc/05/03/13/331050313.db2.gz NGLXZZBRBMFUIZ-NSHDSACASA-N 0 1 250.386 3.735 20 0 CHADMN CCO[C@@H]1CCCC[C@H]1N[C@H](C)c1nc2ccccc2o1 ZINC000452052238 331052234 /nfs/dbraw/zinc/05/22/34/331052234.db2.gz MYWFQRGGPRXZRQ-UMVBOHGHSA-N 0 1 288.391 3.826 20 0 CHADMN CC(C)(C)C[C@@H]1CCN(Cc2nncn2-c2ccccc2)C1 ZINC000452082098 331053406 /nfs/dbraw/zinc/05/34/06/331053406.db2.gz REFGYUXOQLOWKW-HNNXBMFYSA-N 0 1 298.434 3.525 20 0 CHADMN CC[C@H](CC(F)(F)F)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000452120443 331055036 /nfs/dbraw/zinc/05/50/36/331055036.db2.gz MCOUBWYGUSZPRZ-SECBINFHSA-N 0 1 299.296 3.788 20 0 CHADMN CC[C@H](N[C@H](C)c1cccc(O)c1)c1c(C)noc1C ZINC000194938631 331080132 /nfs/dbraw/zinc/08/01/32/331080132.db2.gz XAMMOGAGSZMUMD-BMIGLBTASA-N 0 1 274.364 3.799 20 0 CHADMN C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1ccncn1 ZINC000453116740 331090793 /nfs/dbraw/zinc/09/07/93/331090793.db2.gz YMEJGAKGZCLSLV-PXAZEXFGSA-N 0 1 285.366 3.808 20 0 CHADMN Cc1ccccc1[C@@H](N[C@@H](C)c1ccncn1)C1CC1 ZINC000453120659 331091221 /nfs/dbraw/zinc/09/12/21/331091221.db2.gz MWPRWPUXKGIMPV-GUYCJALGSA-N 0 1 267.376 3.587 20 0 CHADMN CC[C@@H](N[C@@H](COC)c1ccccc1)c1ccncc1 ZINC000453138871 331093112 /nfs/dbraw/zinc/09/31/12/331093112.db2.gz IWXYHVDXTQZETN-SJORKVTESA-N 0 1 270.376 3.510 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](CO)c2cccc(F)c2)cs1 ZINC000453139263 331093216 /nfs/dbraw/zinc/09/32/16/331093216.db2.gz IBPYWDUATKSZLX-ABAIWWIYSA-N 0 1 279.380 3.580 20 0 CHADMN C[C@@H]1C[C@@H](NC[C@H]2SCCc3ccccc32)c2nccn21 ZINC000453139043 331093334 /nfs/dbraw/zinc/09/33/34/331093334.db2.gz RGXJDLWBRIWKBV-DAXOMENPSA-N 0 1 299.443 3.509 20 0 CHADMN C[C@@H]1CCCc2ccccc2[C@@H]1N[C@@H]1CCn2ccnc21 ZINC000453195554 331099998 /nfs/dbraw/zinc/09/99/98/331099998.db2.gz KTGJPSAINLQDSB-KBRIMQKVSA-N 0 1 281.403 3.631 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H](C)c1c(C)cccc1C ZINC000453206814 331101293 /nfs/dbraw/zinc/10/12/93/331101293.db2.gz YVJXYWOQIDBDND-CABCVRRESA-N 0 1 271.408 3.932 20 0 CHADMN C[C@@H](N[C@H]1CCC[C@H]1F)c1cc(-c2ccccc2)nn1C ZINC000453231592 331104628 /nfs/dbraw/zinc/10/46/28/331104628.db2.gz SWDXJIUCAWMPIN-YUELXQCFSA-N 0 1 287.382 3.628 20 0 CHADMN CC1(F)CC(N[C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000453245171 331106744 /nfs/dbraw/zinc/10/67/44/331106744.db2.gz ZYUHALFFHJEHTN-WIHSUSGWSA-N 0 1 288.341 3.790 20 0 CHADMN Cc1ccc2cc([C@@H](C)NCc3n[nH]c(C(C)C)n3)oc2c1 ZINC000453289671 331111630 /nfs/dbraw/zinc/11/16/30/331111630.db2.gz MIOCAYXDFJDMFY-GFCCVEGCSA-N 0 1 298.390 3.834 20 0 CHADMN CCn1ccnc1CN[C@H]1CC[C@@H](C)c2ccsc21 ZINC000453304418 331113729 /nfs/dbraw/zinc/11/37/29/331113729.db2.gz BDEHPAVKJUAFAR-YPMHNXCESA-N 0 1 275.421 3.693 20 0 CHADMN CCn1ccnc1CN[C@H]1CCCc2c(C)ccc(C)c21 ZINC000453320088 331116221 /nfs/dbraw/zinc/11/62/21/331116221.db2.gz NBVPZDBFXTZPCM-INIZCTEOSA-N 0 1 283.419 3.687 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1cc(C)cs1 ZINC000453322039 331116503 /nfs/dbraw/zinc/11/65/03/331116503.db2.gz QIZWLXFYQFLYOB-LBPRGKRZSA-N 0 1 260.406 3.865 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2cnn(C3CCCC3)c2)cn1 ZINC000453337095 331118586 /nfs/dbraw/zinc/11/85/86/331118586.db2.gz AAUSVVBDPBXQAC-HNNXBMFYSA-N 0 1 298.434 3.861 20 0 CHADMN CC/C=C\CN[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453340731 331119121 /nfs/dbraw/zinc/11/91/21/331119121.db2.gz ZPCIJEQCJOOJSP-UQYHUFHVSA-N 0 1 269.392 3.704 20 0 CHADMN CC/C=C/CN[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453340729 331119146 /nfs/dbraw/zinc/11/91/46/331119146.db2.gz ZPCIJEQCJOOJSP-KVEVGEHQSA-N 0 1 269.392 3.704 20 0 CHADMN CCC[C@H](NCc1cnc(CC)o1)c1ccsc1 ZINC000453355477 331121565 /nfs/dbraw/zinc/12/15/65/331121565.db2.gz DCIBRFXRKRINOQ-ZDUSSCGKSA-N 0 1 264.394 3.930 20 0 CHADMN CCc1ncc(CN[C@H](CC)c2cccs2)o1 ZINC000453363157 331122919 /nfs/dbraw/zinc/12/29/19/331122919.db2.gz KVPBJVOJYMRFHN-LLVKDONJSA-N 0 1 250.367 3.539 20 0 CHADMN CC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1cccc(C)c1 ZINC000453365639 331123350 /nfs/dbraw/zinc/12/33/50/331123350.db2.gz SNIDQZYSVIQRPK-KBMXLJTQSA-N 0 1 269.392 3.938 20 0 CHADMN CCCc1ncc(CN[C@@H]2CCCc3cc(F)ccc32)o1 ZINC000453374044 331124486 /nfs/dbraw/zinc/12/44/86/331124486.db2.gz JAFKXHOPKILWFO-MRXNPFEDSA-N 0 1 288.366 3.933 20 0 CHADMN CCc1ncc(CN[C@H]2C[C@@H](C)c3c2cccc3C)o1 ZINC000453394160 331127800 /nfs/dbraw/zinc/12/78/00/331127800.db2.gz SDYSUZYHLBCRBV-DOMZBBRYSA-N 0 1 270.376 3.884 20 0 CHADMN CC[C@]1(C(C)C)C[C@H]1N[C@H](C)c1csc(C)n1 ZINC000453425763 331131040 /nfs/dbraw/zinc/13/10/40/331131040.db2.gz NSNCMBJUFJQSRU-LERXQTSPSA-N 0 1 252.427 3.927 20 0 CHADMN Cc1ccc(CCN[C@H](C)c2csc(C(C)C)n2)nc1 ZINC000453438084 331131778 /nfs/dbraw/zinc/13/17/78/331131778.db2.gz VNRNBQOIVJHIPE-CYBMUJFWSA-N 0 1 289.448 3.863 20 0 CHADMN CC[C@]1(C(C)C)C[C@H]1N[C@@H](c1ccccc1)c1cncnc1 ZINC000453458267 331132571 /nfs/dbraw/zinc/13/25/71/331132571.db2.gz VUUDSXLZDUCDQY-CEXWTWQISA-N 0 1 295.430 3.980 20 0 CHADMN CCO[C@H]1C[C@H](Nc2ccc3cnccc3c2)C12CCC2 ZINC000453609561 331136320 /nfs/dbraw/zinc/13/63/20/331136320.db2.gz GBNFLEHVIKDKTO-IRXDYDNUSA-N 0 1 282.387 3.994 20 0 CHADMN CC[C@@]1(C(C)C)C[C@@H]1NCc1ncc(CSC)s1 ZINC000453608904 331136333 /nfs/dbraw/zinc/13/63/33/331136333.db2.gz IWECKCBMDVIRQW-JSGCOSHPSA-N 0 1 284.494 3.920 20 0 CHADMN CCCC[C@@H](COC)Nc1ccc2cnccc2c1 ZINC000453614204 331136674 /nfs/dbraw/zinc/13/66/74/331136674.db2.gz LNKDAJOGJFLYCR-INIZCTEOSA-N 0 1 258.365 3.852 20 0 CHADMN CCC1CN(Cc2cnc(-c3ccccc3F)s2)C1 ZINC000453623968 331137213 /nfs/dbraw/zinc/13/72/13/331137213.db2.gz YHTLDZPLWSQDEI-UHFFFAOYSA-N 0 1 276.380 3.791 20 0 CHADMN C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2cscn2)C1 ZINC000172078345 335093805 /nfs/dbraw/zinc/09/38/05/335093805.db2.gz PAUWZGWYHZFSSJ-MRXNPFEDSA-N 0 1 272.417 3.697 20 0 CHADMN C[C@@]1(c2ccccc2)CCCN(Cc2cscn2)C1 ZINC000172078345 335093807 /nfs/dbraw/zinc/09/38/07/335093807.db2.gz PAUWZGWYHZFSSJ-MRXNPFEDSA-N 0 1 272.417 3.697 20 0 CHADMN CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCCC(=O)[O-] ZINC000455666150 331175094 /nfs/dbraw/zinc/17/50/94/331175094.db2.gz VSYJHZLMCBJGNS-INIZCTEOSA-N 0 1 281.371 3.710 20 0 CHADMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccccc1C(C)(F)F ZINC000456114967 331184497 /nfs/dbraw/zinc/18/44/97/331184497.db2.gz OOHDQBMPPFLMFG-TXEJJXNPSA-N 0 1 296.361 3.610 20 0 CHADMN CC(C)c1ncsc1NC(=O)c1c[nH]nc1C(C)(C)C ZINC000456435666 331192601 /nfs/dbraw/zinc/19/26/01/331192601.db2.gz JEQQVYJKAZNGPR-UHFFFAOYSA-N 0 1 292.408 3.539 20 0 CHADMN CCCCSCCC(=O)Nc1ccc(F)c(F)c1O ZINC000457283597 331218120 /nfs/dbraw/zinc/21/81/20/331218120.db2.gz AFZWRPNABNBMBD-UHFFFAOYSA-N 0 1 289.347 3.532 20 0 CHADMN C[C@H](C(=O)Nc1cc(F)cc(Cl)c1O)C1CCC1 ZINC000457751051 331233199 /nfs/dbraw/zinc/23/31/99/331233199.db2.gz SHAGFDSMVOKFLN-ZETCQYMHSA-N 0 1 271.719 3.559 20 0 CHADMN CC[C@H](CC(F)F)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000457806579 331235037 /nfs/dbraw/zinc/23/50/37/331235037.db2.gz FNYJHBCSZGTPSQ-ZCFIWIBFSA-N 0 1 295.688 3.805 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)C3CC(C)(C)C3)n[nH]2)cc1 ZINC000458175926 331244250 /nfs/dbraw/zinc/24/42/50/331244250.db2.gz BUBGBFYDOUYYQD-UHFFFAOYSA-N 0 1 297.402 3.646 20 0 CHADMN CCOc1cc(CN(C)Cc2ccc(F)cc2)ccc1O ZINC000459290550 331274819 /nfs/dbraw/zinc/27/48/19/331274819.db2.gz LLDTWIYMIOZZCF-UHFFFAOYSA-N 0 1 289.350 3.562 20 0 CHADMN CCCN(Cc1ccc(F)cc1)Cc1cnc(C2CC2)nc1 ZINC000459294747 331275059 /nfs/dbraw/zinc/27/50/59/331275059.db2.gz FXFFZPKUBQPFLA-UHFFFAOYSA-N 0 1 299.393 3.905 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2cnc(C3CC3)nc2)c1 ZINC000459307935 331275691 /nfs/dbraw/zinc/27/56/91/331275691.db2.gz TUXWPZJHBNBFDD-SFHVURJKSA-N 0 1 293.414 4.000 20 0 CHADMN COCc1cc(CN2CCC[C@H]2CC2CCCCC2)no1 ZINC000459320965 331276030 /nfs/dbraw/zinc/27/60/30/331276030.db2.gz FXYRXKSTXRLWLF-INIZCTEOSA-N 0 1 292.423 3.756 20 0 CHADMN Cc1cc(F)c(CN(C)C[C@H]2CCCOC2)c(Cl)c1 ZINC000459337592 331276744 /nfs/dbraw/zinc/27/67/44/331276744.db2.gz RCEPLCIHWSLKKS-GFCCVEGCSA-N 0 1 285.790 3.646 20 0 CHADMN CC[C@H](NCc1cnc(C2CC2)nc1)c1ccc(OC)cc1 ZINC000459360129 331277999 /nfs/dbraw/zinc/27/79/99/331277999.db2.gz FDNNFAWAFIWLPA-KRWDZBQOSA-N 0 1 297.402 3.604 20 0 CHADMN CC[C@](C)(NCCOCC1CCCC1)c1nccs1 ZINC000459375930 331279046 /nfs/dbraw/zinc/27/90/46/331279046.db2.gz KVLSIEWCCBRMEL-HNNXBMFYSA-N 0 1 282.453 3.565 20 0 CHADMN Cc1cc([C@H](C)NCc2cnc(C3CC3)nc2)c(C)s1 ZINC000459397635 331279870 /nfs/dbraw/zinc/27/98/70/331279870.db2.gz XSPDDVCVZTYBKV-NSHDSACASA-N 0 1 287.432 3.883 20 0 CHADMN CO[C@H](C)c1nc(CNC2CC(C(C)(C)C)C2)cs1 ZINC000459423089 331280654 /nfs/dbraw/zinc/28/06/54/331280654.db2.gz IPTDUWQSRZRHJV-VOMCLLRMSA-N 0 1 282.453 3.765 20 0 CHADMN CC[C@@H](CNCc1cc(C)on1)Oc1ccccc1Cl ZINC000459439276 331281323 /nfs/dbraw/zinc/28/13/23/331281323.db2.gz MVXDOSHXRRHCCK-ZDUSSCGKSA-N 0 1 294.782 3.584 20 0 CHADMN Cc1cc(CNCC2(c3ccc(C)c(C)c3)CCC2)no1 ZINC000459505357 331285212 /nfs/dbraw/zinc/28/52/12/331285212.db2.gz NWIPQUYHYDWFMI-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN c1cc(C2CC2)ccc1CNCc1cnc(C2CC2)nc1 ZINC000459524430 331285946 /nfs/dbraw/zinc/28/59/46/331285946.db2.gz NITARWFWTRTIRE-UHFFFAOYSA-N 0 1 279.387 3.521 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1cnc(C2CC2)nc1 ZINC000459533602 331286348 /nfs/dbraw/zinc/28/63/48/331286348.db2.gz PGVGILZVAYQYJG-LBPRGKRZSA-N 0 1 299.443 3.927 20 0 CHADMN Cc1cc(F)c(CN[C@H]2C[C@@H]2C(F)F)c(Cl)c1 ZINC000459553095 331287533 /nfs/dbraw/zinc/28/75/33/331287533.db2.gz AAKXANYHAHLPNT-CPCISQLKSA-N 0 1 263.690 3.531 20 0 CHADMN Fc1cccc2c1CCC[C@@H]2NCc1cnc(C2CC2)nc1 ZINC000459563864 331288048 /nfs/dbraw/zinc/28/80/48/331288048.db2.gz HHDRJRHZZCUHIX-KRWDZBQOSA-N 0 1 297.377 3.660 20 0 CHADMN Clc1cccc2c1[C@@H](NC1CC3(CCC3)C1)CO2 ZINC000459563218 331288091 /nfs/dbraw/zinc/28/80/91/331288091.db2.gz CAFRONNRFPGSGX-LBPRGKRZSA-N 0 1 263.768 3.696 20 0 CHADMN Cc1cc2cc(CN3CC4(C3)CCCOC4)oc2cc1C ZINC000459600612 331290227 /nfs/dbraw/zinc/29/02/27/331290227.db2.gz ARFXRBUXOJJHQC-UHFFFAOYSA-N 0 1 285.387 3.662 20 0 CHADMN c1oc2ccccc2c1CN1CC(COc2ccccc2)C1 ZINC000459627458 331291008 /nfs/dbraw/zinc/29/10/08/331291008.db2.gz BXTAVURWSONKMU-UHFFFAOYSA-N 0 1 293.366 3.944 20 0 CHADMN c1cc2cc(CN3CC(COc4ccccc4)C3)ccc2o1 ZINC000459627400 331291078 /nfs/dbraw/zinc/29/10/78/331291078.db2.gz BGGITLQWMJKCCS-UHFFFAOYSA-N 0 1 293.366 3.944 20 0 CHADMN COc1ccsc1CN[C@@H](C)c1cc(C)ccc1OC ZINC000459653600 331292285 /nfs/dbraw/zinc/29/22/85/331292285.db2.gz XZZDBFZTKSMCKB-LBPRGKRZSA-N 0 1 291.416 3.925 20 0 CHADMN Clc1cccc(CC2(CNCc3cscn3)CC2)c1 ZINC000459713418 331295421 /nfs/dbraw/zinc/29/54/21/331295421.db2.gz NTBBZOKZHWYLRY-UHFFFAOYSA-N 0 1 292.835 3.909 20 0 CHADMN C[C@H](Cc1cccc(F)c1)N(C)Cc1nc2ccccc2[nH]1 ZINC000459745968 331297802 /nfs/dbraw/zinc/29/78/02/331297802.db2.gz INLWDLZWGALIJN-CYBMUJFWSA-N 0 1 297.377 3.765 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@@H]2N[C@H](C)c1ccn(C)n1 ZINC000459785794 331300844 /nfs/dbraw/zinc/30/08/44/331300844.db2.gz KIQMXLMRRKJUDL-PBHICJAKSA-N 0 1 283.419 3.765 20 0 CHADMN CCC[C@@H](N[C@H](C)c1nc(C(C)C)no1)C1CCC1 ZINC000459789252 331300998 /nfs/dbraw/zinc/30/09/98/331300998.db2.gz FYRWGSOZOFEXDU-DGCLKSJQSA-N 0 1 265.401 3.812 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccn(C)n1)c1ccc2ccccc2c1 ZINC000459792710 331301267 /nfs/dbraw/zinc/30/12/67/331301267.db2.gz OJRPXPRRKGOXNB-KGLIPLIRSA-N 0 1 279.387 3.985 20 0 CHADMN c1ccc([C@H](N[C@@H]2CCCSC2)c2ccccn2)cc1 ZINC000166117823 331306721 /nfs/dbraw/zinc/30/67/21/331306721.db2.gz XEHSVUVYCFIULE-WBVHZDCISA-N 0 1 284.428 3.656 20 0 CHADMN COc1ccc(F)cc1CNCc1cc2ccccc2[nH]1 ZINC000462796464 331329509 /nfs/dbraw/zinc/32/95/09/331329509.db2.gz QCORRKHLDCEZNI-UHFFFAOYSA-N 0 1 284.334 3.605 20 0 CHADMN CC(C)O[C@H]1C[C@@H](NCc2c(F)cccc2F)C1(C)C ZINC000463025826 331337386 /nfs/dbraw/zinc/33/73/86/331337386.db2.gz SOIANRJQMLGXHL-CABCVRRESA-N 0 1 283.362 3.647 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1Cc1nnc(-c2ccccc2)s1 ZINC000464682204 331364640 /nfs/dbraw/zinc/36/46/40/331364640.db2.gz FMDBNRSJHNGAPS-OCCSQVGLSA-N 0 1 287.432 3.826 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1CC(=O)Nc1ccccc1F ZINC000464739104 331365835 /nfs/dbraw/zinc/36/58/35/331365835.db2.gz OIMDEHXJIHYHIC-CJNGLKHVSA-N 0 1 292.398 3.665 20 0 CHADMN CC[C@@]1(C)CCCN([C@@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000464782701 331368181 /nfs/dbraw/zinc/36/81/81/331368181.db2.gz ZNUATSRGOIZGIG-GUYCJALGSA-N 0 1 292.398 3.665 20 0 CHADMN CCc1ccc(-c2noc(CN3C[C@H](C)CC[C@H]3C)n2)cc1 ZINC000464812652 331369287 /nfs/dbraw/zinc/36/92/87/331369287.db2.gz FWPQWZJDUDBTTK-ZIAGYGMSSA-N 0 1 299.418 3.919 20 0 CHADMN CCCCc1nc(CN2C[C@@H](C)[C@H](C)C2)cs1 ZINC000464830567 331369911 /nfs/dbraw/zinc/36/99/11/331369911.db2.gz IRKWGWXBLXTHJC-VXGBXAGGSA-N 0 1 252.427 3.574 20 0 CHADMN Cc1cccc(-c2noc(CN3C[C@@H](C)CC[C@H]3C)n2)c1 ZINC000464828080 331370109 /nfs/dbraw/zinc/37/01/09/331370109.db2.gz IZODBJZZINPZBS-UONOGXRCSA-N 0 1 285.391 3.665 20 0 CHADMN c1ccc([C@@H]2COCCN2CCC2CCCC2)cc1 ZINC000464841766 331370623 /nfs/dbraw/zinc/37/06/23/331370623.db2.gz XTWVXDJWZCBEIN-KRWDZBQOSA-N 0 1 259.393 3.640 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2cn3ccccc3n2)C1 ZINC000464843923 331370926 /nfs/dbraw/zinc/37/09/26/331370926.db2.gz ZTNOHJBVFGPWRV-QGZVFWFLSA-N 0 1 271.408 3.737 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2ccn(C(C)C)n2)C1 ZINC000464847610 331371060 /nfs/dbraw/zinc/37/10/60/331371060.db2.gz VJFNCOOVZRHRSM-INIZCTEOSA-N 0 1 263.429 3.866 20 0 CHADMN CCC1CCN(Cc2nc3cc(F)ccc3o2)CC1 ZINC000464867287 331372094 /nfs/dbraw/zinc/37/20/94/331372094.db2.gz UQXBKXYOHWQTQL-UHFFFAOYSA-N 0 1 262.328 3.589 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000465299034 331381942 /nfs/dbraw/zinc/38/19/42/331381942.db2.gz RQLFUPOYYZLJHW-HIFRSBDPSA-N 0 1 297.402 3.646 20 0 CHADMN Cc1ccc2nc(CN[C@@H](C)c3cccc(F)c3)[nH]c2c1 ZINC000465413859 331382813 /nfs/dbraw/zinc/38/28/13/331382813.db2.gz RYUNFZWGDBFTIS-LBPRGKRZSA-N 0 1 283.350 3.861 20 0 CHADMN CC/C=C/CCN1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000466237244 331391448 /nfs/dbraw/zinc/39/14/48/331391448.db2.gz QDQDTEAWJKPCHB-GWOVIKRFSA-N 0 1 259.393 3.805 20 0 CHADMN Cc1cc(C)cc(CN[C@H]2COc3ccc(F)cc32)c1 ZINC000466446564 331397348 /nfs/dbraw/zinc/39/73/48/331397348.db2.gz REYQEHBWJRCVIA-INIZCTEOSA-N 0 1 271.335 3.666 20 0 CHADMN Fc1ccc(/C=C\CN[C@H]2COc3ccc(F)cc32)cc1 ZINC000466465123 331397839 /nfs/dbraw/zinc/39/78/39/331397839.db2.gz UCBGDBFPRQRBLQ-AIMAZDRCSA-N 0 1 287.309 3.701 20 0 CHADMN CCC[C@H]1CCCN(CC(=O)Nc2cccc(C)c2C)C1 ZINC000466491188 331398388 /nfs/dbraw/zinc/39/83/88/331398388.db2.gz SGKAGMRIWWVVAH-INIZCTEOSA-N 0 1 288.435 3.754 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@H]1CCc2c1c(F)ccc2F ZINC000468024895 331426826 /nfs/dbraw/zinc/42/68/26/331426826.db2.gz DBWVDGVCRKJCIY-HQJQHLMTSA-N 0 1 279.252 3.883 20 0 CHADMN CC(C)C[C@@H](C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474441251 331587195 /nfs/dbraw/zinc/58/71/95/331587195.db2.gz ZGNFKILMNVGRLL-MRVPVSSYSA-N 0 1 273.735 3.805 20 0 CHADMN CCc1cccc(F)c1CNCc1cc(C)cc(OC)c1 ZINC000474886355 331602756 /nfs/dbraw/zinc/60/27/56/331602756.db2.gz IEAKCYQMTXGFNX-UHFFFAOYSA-N 0 1 287.378 3.995 20 0 CHADMN Cc1noc([C@@H](C)NC[C@H](CC(C)C)c2ccccc2)n1 ZINC000475192129 331617059 /nfs/dbraw/zinc/61/70/59/331617059.db2.gz ABHXABITBPFZPT-CJNGLKHVSA-N 0 1 287.407 3.859 20 0 CHADMN Cc1noc([C@H](C)N[C@@H]2CCC[C@H](CC(C)C)C2)n1 ZINC000475199087 331617769 /nfs/dbraw/zinc/61/77/69/331617769.db2.gz SIDVOHBESZPHTR-IACUBPJLSA-N 0 1 265.401 3.634 20 0 CHADMN Oc1ccc(F)c(CNC2CC(c3ccccc3)C2)c1F ZINC000510943962 332921451 /nfs/dbraw/zinc/92/14/51/332921451.db2.gz CMEZZOCWKBDRSX-UHFFFAOYSA-N 0 1 289.325 3.706 20 0 CHADMN CC(C)[C@H](N[C@H](CCc1ccccc1)C(F)F)C(C)(C)O ZINC000477856243 331692067 /nfs/dbraw/zinc/69/20/67/331692067.db2.gz YGGGXSYESPNURV-CABCVRRESA-N 0 1 299.405 3.638 20 0 CHADMN [O-]c1ccc(F)c(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)c1F ZINC000511124644 332927558 /nfs/dbraw/zinc/92/75/58/332927558.db2.gz LLHYZURYTICHED-SDDRHHMPSA-N 0 1 281.346 3.729 20 0 CHADMN CC(C)=CCCN[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000479297389 331724138 /nfs/dbraw/zinc/72/41/38/331724138.db2.gz VIAWBTSMRKQOGZ-QGZVFWFLSA-N 0 1 285.366 3.651 20 0 CHADMN COc1cccc(CN[C@@H]2CCc3ccc(C(C)C)cc32)n1 ZINC000480281900 331766108 /nfs/dbraw/zinc/76/61/08/331766108.db2.gz IWGWGVGAAXVSPT-GOSISDBHSA-N 0 1 296.414 3.991 20 0 CHADMN CC(C)CCc1noc(CN[C@H]2CCCCC2(C)C)n1 ZINC000481179637 331799951 /nfs/dbraw/zinc/79/99/51/331799951.db2.gz ZGUVUSBJDXGHTB-ZDUSSCGKSA-N 0 1 279.428 3.717 20 0 CHADMN C[C@@H](Cc1ccccc1C(F)(F)F)N[C@@H](C)c1ccon1 ZINC000481997394 331820906 /nfs/dbraw/zinc/82/09/06/331820906.db2.gz DXGGVHULCUVSBS-QWRGUYRKSA-N 0 1 298.308 3.975 20 0 CHADMN Cc1ccccc1-c1nc(CNC[C@@H]2CCC[C@@H](C)C2)no1 ZINC000483305666 331868407 /nfs/dbraw/zinc/86/84/07/331868407.db2.gz CJTPSYJJCMVDMA-UKRRQHHQSA-N 0 1 299.418 3.961 20 0 CHADMN Cc1cscc1CNCc1cnc(C(C)C)s1 ZINC000487212479 331959531 /nfs/dbraw/zinc/95/95/31/331959531.db2.gz YQDPYYLRFATHJQ-UHFFFAOYSA-N 0 1 266.435 3.926 20 0 CHADMN C(=C\c1ccncc1)\CNC1(c2nccs2)CCCC1 ZINC000487275686 331962135 /nfs/dbraw/zinc/96/21/35/331962135.db2.gz KXPRQYIOWUNVHQ-ARJAWSKDSA-N 0 1 285.416 3.610 20 0 CHADMN COc1ncccc1CN1CCC(c2ccccc2C)CC1 ZINC000487875916 331982963 /nfs/dbraw/zinc/98/29/63/331982963.db2.gz MVJPUNDJOICIKN-UHFFFAOYSA-N 0 1 296.414 3.778 20 0 CHADMN Cc1oc2ccccc2c1CN1CC(C)(C)OC[C@@H]1C ZINC000488369231 332002402 /nfs/dbraw/zinc/00/24/02/332002402.db2.gz QVWQNOWCZYCZKY-LBPRGKRZSA-N 0 1 273.376 3.741 20 0 CHADMN Cc1cc(CN2CC(C)(C)OC[C@@H]2C)cc2cccnc12 ZINC000488383583 332003087 /nfs/dbraw/zinc/00/30/87/332003087.db2.gz GDYQBRNXPVZXMB-AWEZNQCLSA-N 0 1 284.403 3.543 20 0 CHADMN C[C@H]1CSCCN(Cc2cc(F)cc(Cl)c2)C1 ZINC000488407194 332004858 /nfs/dbraw/zinc/00/48/58/332004858.db2.gz MICGZMKJICVKCH-SNVBAGLBSA-N 0 1 273.804 3.664 20 0 CHADMN CCCc1noc(CN2CCC[C@H]2CC2CCCCC2)n1 ZINC000488411310 332004958 /nfs/dbraw/zinc/00/49/58/332004958.db2.gz OQUFUZSVKNBCPW-HNNXBMFYSA-N 0 1 291.439 3.957 20 0 CHADMN CC(C)C1CC(NCc2nc(C(F)(F)F)cs2)C1 ZINC000488413453 332005176 /nfs/dbraw/zinc/00/51/76/332005176.db2.gz FDHZEGRIQASMFM-UHFFFAOYSA-N 0 1 278.343 3.686 20 0 CHADMN CC(C)[C@H]1C[C@H](NCc2ccn(C3CCCC3)n2)CS1 ZINC000488414789 332005556 /nfs/dbraw/zinc/00/55/56/332005556.db2.gz RGBDRLKHKWMPPX-GOEBONIOSA-N 0 1 293.480 3.618 20 0 CHADMN Cc1cc(F)ccc1CN(C)Cc1cnc2cccc(C)n12 ZINC000488581252 332018951 /nfs/dbraw/zinc/01/89/51/332018951.db2.gz LVOIWMORZHYINN-UHFFFAOYSA-N 0 1 297.377 3.722 20 0 CHADMN CC[N@@H+](CCOC)[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000488797519 332026034 /nfs/dbraw/zinc/02/60/34/332026034.db2.gz ZRGWOBCXGURJLJ-LLVKDONJSA-N 0 1 291.313 3.615 20 0 CHADMN CCc1ccsc1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488908055 332033359 /nfs/dbraw/zinc/03/33/59/332033359.db2.gz JRHKJLLOVIQADF-UHFFFAOYSA-N 0 1 289.335 3.578 20 0 CHADMN C[C@@H]1CN(CCCSc2ccccc2Cl)CCO1 ZINC000489577598 332060217 /nfs/dbraw/zinc/06/02/17/332060217.db2.gz NLKRSTSQPRTDCJ-GFCCVEGCSA-N 0 1 285.840 3.543 20 0 CHADMN CC[C@@H]1CN(CCCSc2ccccc2Cl)CCO1 ZINC000489599863 332060976 /nfs/dbraw/zinc/06/09/76/332060976.db2.gz UUBNKZGFBHNBMZ-CYBMUJFWSA-N 0 1 299.867 3.933 20 0 CHADMN CC(C)(O)[C@@H]1CCCN1Cc1ccc(Cl)cc1Cl ZINC000489651036 332063074 /nfs/dbraw/zinc/06/30/74/332063074.db2.gz SDPKDLVZNPBDNU-ZDUSSCGKSA-N 0 1 288.218 3.729 20 0 CHADMN CN(Cc1nnc(-c2ccccc2)s1)C1(C)CCCC1 ZINC000489893615 332072000 /nfs/dbraw/zinc/07/20/00/332072000.db2.gz CEBPMXRZAXRFME-UHFFFAOYSA-N 0 1 287.432 3.970 20 0 CHADMN CC[C@@H](NCc1ccc(C)c(OC)c1)c1ccc(F)cn1 ZINC000490129634 332082372 /nfs/dbraw/zinc/08/23/72/332082372.db2.gz GHIUDSCIFBQOMH-OAHLLOKOSA-N 0 1 288.366 3.779 20 0 CHADMN CCC(CC)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000490366620 332087471 /nfs/dbraw/zinc/08/74/71/332087471.db2.gz LLKIIOZDSXCRNF-UHFFFAOYSA-N 0 1 299.296 3.956 20 0 CHADMN CCC[C@@H](C)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000490380232 332087707 /nfs/dbraw/zinc/08/77/07/332087707.db2.gz VSZAFIDMMUFRQU-MRVPVSSYSA-N 0 1 299.296 3.956 20 0 CHADMN Cc1cc([C@@H]2CN(CCC(C)C)CCO2)ccc1F ZINC000491175250 332160679 /nfs/dbraw/zinc/16/06/79/332160679.db2.gz UKBDVPLPXSNFIV-INIZCTEOSA-N 0 1 265.372 3.554 20 0 CHADMN CCCCc1noc(CN(C(C)C)C2CCCCC2)n1 ZINC000491172081 332160748 /nfs/dbraw/zinc/16/07/48/332160748.db2.gz BCOLLPCLOGSVJB-UHFFFAOYSA-N 0 1 279.428 3.955 20 0 CHADMN Fc1cccc(Cl)c1CN1CC[C@H](C2CC2)C1 ZINC000491198257 332164026 /nfs/dbraw/zinc/16/40/26/332164026.db2.gz ZZZDQCMCSOTXSC-NSHDSACASA-N 0 1 253.748 3.711 20 0 CHADMN OC[C@H](NCc1ccc2c(c1)CCCC2)c1ccc(F)cc1 ZINC000491233572 332171633 /nfs/dbraw/zinc/17/16/33/332171633.db2.gz BVTSGUMOVXZGND-IBGZPJMESA-N 0 1 299.389 3.528 20 0 CHADMN CCc1noc(CC)c1CNCc1ccc2c(c1)CCCC2 ZINC000491238332 332171857 /nfs/dbraw/zinc/17/18/57/332171857.db2.gz VEZCAWPWHMXWCR-UHFFFAOYSA-N 0 1 298.430 3.968 20 0 CHADMN CCc1ccc(CNCc2ccc(C3CC3)cc2F)cn1 ZINC000491582960 332241357 /nfs/dbraw/zinc/24/13/57/332241357.db2.gz DOWQKBHUXVDGFD-UHFFFAOYSA-N 0 1 284.378 3.950 20 0 CHADMN Cc1ccc(F)c(C[N@H+](C)Cc2csc(C(=O)[O-])c2)c1 ZINC000575412604 335102156 /nfs/dbraw/zinc/10/21/56/335102156.db2.gz GZDLWWJCKDMBGX-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN Cc1ccc(F)c(C[N@@H+](C)Cc2csc(C(=O)[O-])c2)c1 ZINC000575412604 335102158 /nfs/dbraw/zinc/10/21/58/335102158.db2.gz GZDLWWJCKDMBGX-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN CC(C)n1cc(CN(C)C2CCC(C(C)(C)C)CC2)nn1 ZINC000575590631 335107247 /nfs/dbraw/zinc/10/72/47/335107247.db2.gz UDQIXRGLGZGWRC-UHFFFAOYSA-N 0 1 292.471 3.896 20 0 CHADMN CCCN1Cc2cccc(NC(=O)/C=C\C3CCC3)c2C1 ZINC000492069779 332381481 /nfs/dbraw/zinc/38/14/81/332381481.db2.gz UEKBAYCBDRXXBN-KTKRTIGZSA-N 0 1 284.403 3.707 20 0 CHADMN COCCCCC[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000492219555 332387784 /nfs/dbraw/zinc/38/77/84/332387784.db2.gz IGMLERMOZOWSJF-GFCCVEGCSA-N 0 1 271.351 3.774 20 0 CHADMN COCCCCCN(C)[C@H](C)c1c(F)cccc1F ZINC000492219555 332387786 /nfs/dbraw/zinc/38/77/86/332387786.db2.gz IGMLERMOZOWSJF-GFCCVEGCSA-N 0 1 271.351 3.774 20 0 CHADMN O=C(/C=C\C1CCCC1)Nc1cc(Cl)c(O)cc1F ZINC000493042030 332424003 /nfs/dbraw/zinc/42/40/03/332424003.db2.gz ASXVKCNKLJJATQ-WAYWQWQTSA-N 0 1 283.730 3.870 20 0 CHADMN CCc1nnc([C@H](C)N[C@H]2CCC[C@H]2Cc2ccccc2)o1 ZINC000493540775 332444257 /nfs/dbraw/zinc/44/42/57/332444257.db2.gz CHWIEIHCDAVPEK-BPUTZDHNSA-N 0 1 299.418 3.694 20 0 CHADMN CCc1nc(C)c(CNC/C=C/c2ccc(F)cc2F)o1 ZINC000494293821 332469831 /nfs/dbraw/zinc/46/98/31/332469831.db2.gz SSRWPRQODJRMBB-SNAWJCMRSA-N 0 1 292.329 3.627 20 0 CHADMN Cc1cscc1CN[C@H](C)c1cnn(C(C)C)c1 ZINC000494476548 332474945 /nfs/dbraw/zinc/47/49/45/332474945.db2.gz VQZJHSAWAHFPIB-GFCCVEGCSA-N 0 1 263.410 3.685 20 0 CHADMN CCC[C@@H](CC1CCCC1)C(=O)N1CCN(C(C)C)CC1 ZINC000499431693 332585756 /nfs/dbraw/zinc/58/57/56/332585756.db2.gz LVPHTIOOBIMMRY-KRWDZBQOSA-N 0 1 294.483 3.536 20 0 CHADMN C/C(=C/c1ccccc1)CN[C@@H]1COc2ccc(F)cc21 ZINC000500435668 332609026 /nfs/dbraw/zinc/60/90/26/332609026.db2.gz XXIMBPMKAQAGHV-HOFZKYPUSA-N 0 1 283.346 3.952 20 0 CHADMN CCCC[C@@H](CC)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000501380040 332631399 /nfs/dbraw/zinc/63/13/99/332631399.db2.gz ZDWMVJZYLJVSKR-UKRRQHHQSA-N 0 1 296.480 3.683 20 0 CHADMN C[C@H](Nc1ccnc2cc(F)ccc21)[C@@H]1CCCOC1 ZINC000503295237 332685625 /nfs/dbraw/zinc/68/56/25/332685625.db2.gz HSTPLDDFBUATAH-NWDGAFQWSA-N 0 1 274.339 3.601 20 0 CHADMN Cc1nccc(N2CC[C@@H](C(F)(F)F)[C@H]2C)c1Cl ZINC000503581688 332693389 /nfs/dbraw/zinc/69/33/89/332693389.db2.gz QDWLJBMDEJKIMF-RKDXNWHRSA-N 0 1 278.705 3.821 20 0 CHADMN COc1cccc(OC)c1CNCc1ccc(C)cc1C ZINC000512143479 332954954 /nfs/dbraw/zinc/95/49/54/332954954.db2.gz GCLSBTDRWTYLES-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN C[C@H](NC/C=C\c1ccc(F)c(F)c1)c1ccncc1F ZINC000512399574 332966863 /nfs/dbraw/zinc/96/68/63/332966863.db2.gz LNFUONRVUUUHKG-QUCGXOGASA-N 0 1 292.304 3.863 20 0 CHADMN CCCOc1ncccc1CN[C@H](C)c1cccc(F)c1 ZINC000174004665 332988470 /nfs/dbraw/zinc/98/84/70/332988470.db2.gz GVJFNKKNZYWENH-CYBMUJFWSA-N 0 1 288.366 3.860 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N(C)C[C@H]1CCCC[C@@H]1O ZINC000305816695 333000199 /nfs/dbraw/zinc/00/01/99/333000199.db2.gz OQOOFFDOWQCAGL-MCIONIFRSA-N 0 1 294.439 3.516 20 0 CHADMN COc1c(O)cccc1CN[C@H](C)c1c(C)cccc1C ZINC000575793481 335115555 /nfs/dbraw/zinc/11/55/55/335115555.db2.gz WLPJHBICUJXMKL-CQSZACIVSA-N 0 1 285.387 3.868 20 0 CHADMN CCCC[C@@H](CC)CN1CCOC[C@H]1CC(F)F ZINC000513392193 333017057 /nfs/dbraw/zinc/01/70/57/333017057.db2.gz MQEKRAVGZHIPOH-CHWSQXEVSA-N 0 1 263.372 3.559 20 0 CHADMN COc1cccc(CN2CCc3ccccc3[C@H]2C)c1OC ZINC000513684889 333032273 /nfs/dbraw/zinc/03/22/73/333032273.db2.gz VXJXKWKRASSCLB-CQSZACIVSA-N 0 1 297.398 3.823 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2cc(C)ccc2C)nc1 ZINC000513884813 333046637 /nfs/dbraw/zinc/04/66/37/333046637.db2.gz FORUSUWRUHSPMP-HNNXBMFYSA-N 0 1 284.403 3.900 20 0 CHADMN CC[C@@H]1CN(C(c2ccccc2)c2ccccc2)CCO1 ZINC000513964730 333055745 /nfs/dbraw/zinc/05/57/45/333055745.db2.gz NFHZHHQFLLLMKU-GOSISDBHSA-N 0 1 281.399 3.887 20 0 CHADMN CC(C)SCCN(C)Cc1ccccc1Cl ZINC000513972792 333057222 /nfs/dbraw/zinc/05/72/22/333057222.db2.gz JTCDYOBYDWZHCM-UHFFFAOYSA-N 0 1 257.830 3.913 20 0 CHADMN CCCC[C@@H](CCC)NC(=O)Cc1[nH]nc2ccccc21 ZINC000177299450 333057225 /nfs/dbraw/zinc/05/72/25/333057225.db2.gz ZXHZQPRYIDLEGD-CYBMUJFWSA-N 0 1 287.407 3.581 20 0 CHADMN Cc1ccccc1[C@@H](Sc1c[nH]nn1)c1ccccc1 ZINC000177369945 333058333 /nfs/dbraw/zinc/05/83/33/333058333.db2.gz MSAGMMWUFSRIQC-INIZCTEOSA-N 0 1 281.384 3.995 20 0 CHADMN CN(C/C=C\c1ccccc1)C[C@@H]1OCCc2ccccc21 ZINC000514000507 333058872 /nfs/dbraw/zinc/05/88/72/333058872.db2.gz YILPWODVFDEMIH-SONCPKABSA-N 0 1 293.410 3.946 20 0 CHADMN CN(C/C=C\c1ccccc1)C[C@H]1OCCc2ccccc21 ZINC000514000506 333058887 /nfs/dbraw/zinc/05/88/87/333058887.db2.gz YILPWODVFDEMIH-ROFLEHJCSA-N 0 1 293.410 3.946 20 0 CHADMN Cc1nccc(NC2Cc3ccccc3C2)c1Cl ZINC000311006038 333063522 /nfs/dbraw/zinc/06/35/22/333063522.db2.gz JEGFNJKRLLTODU-UHFFFAOYSA-N 0 1 258.752 3.623 20 0 CHADMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1coc(-c2cccc(F)c2)n1 ZINC000177904175 333065445 /nfs/dbraw/zinc/06/54/45/333065445.db2.gz XKUWIGGZIFHSSS-NWDGAFQWSA-N 0 1 274.339 3.711 20 0 CHADMN C[C@H](N[C@H]1CCCC[C@H]1C)c1nc(C(C)(C)C)no1 ZINC000178637541 333076000 /nfs/dbraw/zinc/07/60/00/333076000.db2.gz PFKSICYQKDTCPZ-WOPDTQHZSA-N 0 1 265.401 3.596 20 0 CHADMN CC(C)[C@@H](CNCc1nn(C)cc1Cl)c1ccccc1 ZINC000393346828 333078939 /nfs/dbraw/zinc/07/89/39/333078939.db2.gz GSLYEESBEYHYGQ-CQSZACIVSA-N 0 1 291.826 3.603 20 0 CHADMN Cc1nc(CN2CC(C)(C)C[C@@H]2C)nc2ccccc12 ZINC000517016227 333089805 /nfs/dbraw/zinc/08/98/05/333089805.db2.gz OAOFHYFBZRRBTN-LBPRGKRZSA-N 0 1 269.392 3.559 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2cnc(C3CC3)s2)C1 ZINC000517483163 333100377 /nfs/dbraw/zinc/10/03/77/333100377.db2.gz VHRFZUGWWUKRHQ-JQWIXIFHSA-N 0 1 250.411 3.641 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])s1)[C@H]1CCc2ccccc21 ZINC000517576283 333102872 /nfs/dbraw/zinc/10/28/72/333102872.db2.gz SZSWRFGKRJFSFO-AWEZNQCLSA-N 0 1 287.384 3.566 20 0 CHADMN CCCCN(C(=O)c1cc(C)cc2c[nH]nc21)[C@H](C)CC ZINC000517688654 333105855 /nfs/dbraw/zinc/10/58/55/333105855.db2.gz UMJOJEKXNUCLJH-CYBMUJFWSA-N 0 1 287.407 3.912 20 0 CHADMN Cc1nc(C)c(CN[C@H]2CCc3cc(Cl)ccc32)o1 ZINC000311675034 333113218 /nfs/dbraw/zinc/11/32/18/333113218.db2.gz KHSSGTYHYNWJAG-AWEZNQCLSA-N 0 1 276.767 3.722 20 0 CHADMN Cc1ccccc1CN(Cc1cnc(C2CC2)nc1)C1CC1 ZINC000521204722 333115010 /nfs/dbraw/zinc/11/50/10/333115010.db2.gz LMYUFVRIWOMAFH-UHFFFAOYSA-N 0 1 293.414 3.827 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)[C@@H]1c1cccc(F)c1 ZINC000182820669 333117582 /nfs/dbraw/zinc/11/75/82/333117582.db2.gz DORKNTHSCGFNSF-KUHUBIRLSA-N 0 1 299.389 3.901 20 0 CHADMN C[C@@H](C[N@@H+](CC(=O)[O-])C1CCCC1)C1CCCCC1 ZINC000311703253 333125569 /nfs/dbraw/zinc/12/55/69/333125569.db2.gz MKNWTAIMFOTKJY-ZDUSSCGKSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2nccnc2C)c(C)c1 ZINC000219103242 333141544 /nfs/dbraw/zinc/14/15/44/333141544.db2.gz UAYOTYTYHREWTM-DZGCQCFKSA-N 0 1 269.392 3.814 20 0 CHADMN CSc1ccc([C@H](C)N[C@@H](C)c2nccnc2C)cc1 ZINC000219115597 333142038 /nfs/dbraw/zinc/14/20/38/333142038.db2.gz JBVCLEFGHUIFPU-AAEUAGOBSA-N 0 1 287.432 3.919 20 0 CHADMN CC[C@@H]1[C@H](C)CCN1Cc1noc(-c2ccccc2C)n1 ZINC000185629298 333145394 /nfs/dbraw/zinc/14/53/94/333145394.db2.gz UCNCXZZNSIUQCS-UKRRQHHQSA-N 0 1 285.391 3.665 20 0 CHADMN CC(C)[C@@H](N[C@H](C)CCC1CC1)c1nc(C2CC2)no1 ZINC000186406313 333160160 /nfs/dbraw/zinc/16/01/60/333160160.db2.gz DZSWVYZMLLQYLN-BXUZGUMPSA-N 0 1 277.412 3.812 20 0 CHADMN CC[C@H](N[C@@H](C)c1csc(C(C)C)n1)[C@@H]1CCCO1 ZINC000186433702 333160665 /nfs/dbraw/zinc/16/06/65/333160665.db2.gz FGDBOZPHOQGSFN-OBJOEFQTSA-N 0 1 282.453 3.875 20 0 CHADMN Cc1ccc(SC[C@H](C)N[C@H](C)c2nccn2C)cc1 ZINC000186469392 333161542 /nfs/dbraw/zinc/16/15/42/333161542.db2.gz GCKHFIQZVJCVRR-UONOGXRCSA-N 0 1 289.448 3.560 20 0 CHADMN C[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186591065 333163209 /nfs/dbraw/zinc/16/32/09/333163209.db2.gz PQCAJWZKJRFXQM-CYBMUJFWSA-N 0 1 275.392 3.706 20 0 CHADMN Cc1nc(SCCCn2ccnc2)[nH]c1-c1ccccc1 ZINC000187148234 333168070 /nfs/dbraw/zinc/16/80/70/333168070.db2.gz CCRZDPFNKBFFPP-UHFFFAOYSA-N 0 1 298.415 3.764 20 0 CHADMN Cc1cnc(CSc2nc(C)c(-c3ccccc3)[nH]2)o1 ZINC000187121995 333168291 /nfs/dbraw/zinc/16/82/91/333168291.db2.gz DNSPXGPGRJYYHP-UHFFFAOYSA-N 0 1 285.372 3.974 20 0 CHADMN COc1ccc(F)cc1CN[C@@H]1CCc2ccc(F)cc21 ZINC000187452390 333171223 /nfs/dbraw/zinc/17/12/23/333171223.db2.gz SSPVTFWIQAOBPB-MRXNPFEDSA-N 0 1 289.325 3.751 20 0 CHADMN Cc1ccc2c(c1)nc(CNCc1ccc(C)cc1C)n2C ZINC000187588476 333172804 /nfs/dbraw/zinc/17/28/04/333172804.db2.gz KFKKFNCAKVCSFK-UHFFFAOYSA-N 0 1 293.414 3.788 20 0 CHADMN C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000521583813 333179259 /nfs/dbraw/zinc/17/92/59/333179259.db2.gz XMLBPRGPLXTADF-NWDGAFQWSA-N 0 1 271.364 3.718 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CCN2CCOCC(F)F)o1 ZINC000189484422 333193511 /nfs/dbraw/zinc/19/35/11/333193511.db2.gz DONFLDWLJHDAGL-AAEUAGOBSA-N 0 1 287.350 3.643 20 0 CHADMN Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c(C)c1 ZINC000521873560 333194979 /nfs/dbraw/zinc/19/49/79/333194979.db2.gz BXANTRNSYHOINI-VBNZEHGJSA-N 0 1 289.419 3.715 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCSC[C@@H](C)C1 ZINC000190424436 333206896 /nfs/dbraw/zinc/20/68/96/333206896.db2.gz QAWHENNYJMVNPS-QWRGUYRKSA-N 0 1 271.376 3.711 20 0 CHADMN C[C@H]1CSCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000190475050 333207314 /nfs/dbraw/zinc/20/73/14/333207314.db2.gz DNGAUJBBSMEBQM-GFCCVEGCSA-N 0 1 261.390 3.618 20 0 CHADMN Fc1ccccc1CNCc1ccc(OCC2CC2)cc1 ZINC000190679881 333209765 /nfs/dbraw/zinc/20/97/65/333209765.db2.gz INGDFKCZNDBBOC-UHFFFAOYSA-N 0 1 285.362 3.904 20 0 CHADMN C[C@@H](c1ccc(Cl)c(Cl)c1)N1C[C@@H](C)[C@H](CO)C1 ZINC000190858553 333211499 /nfs/dbraw/zinc/21/14/99/333211499.db2.gz UMTYHXWPCGWJOQ-SCVCMEIPSA-N 0 1 288.218 3.615 20 0 CHADMN C[C@H](NC1CCC(C)(C)CC1)c1nc(C(C)(C)C)no1 ZINC000191572733 333221667 /nfs/dbraw/zinc/22/16/67/333221667.db2.gz SLHJOBPIVCYOAX-NSHDSACASA-N 0 1 279.428 3.987 20 0 CHADMN CCC[C@H](C)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000191582231 333221746 /nfs/dbraw/zinc/22/17/46/333221746.db2.gz RIRGTUHKGBHWJV-RYUDHWBXSA-N 0 1 265.401 3.957 20 0 CHADMN CCC[C@H](C)CN[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000191601792 333222244 /nfs/dbraw/zinc/22/22/44/333222244.db2.gz FXMAPVRYFVMNBX-UONOGXRCSA-N 0 1 287.407 3.747 20 0 CHADMN CCC[C@H](C)CN[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000191601762 333222329 /nfs/dbraw/zinc/22/23/29/333222329.db2.gz FXMAPVRYFVMNBX-KBPBESRZSA-N 0 1 287.407 3.747 20 0 CHADMN CC1(C)C[N@@H+](Cc2cccc(O)c2)CC[C@@H]1C(F)(F)F ZINC000191662763 333222986 /nfs/dbraw/zinc/22/29/86/333222986.db2.gz LVVKJLOMYGMCBM-ZDUSSCGKSA-N 0 1 287.325 3.803 20 0 CHADMN CC1(C)CN(Cc2cccc(O)c2)CC[C@@H]1C(F)(F)F ZINC000191662763 333222987 /nfs/dbraw/zinc/22/29/87/333222987.db2.gz LVVKJLOMYGMCBM-ZDUSSCGKSA-N 0 1 287.325 3.803 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCS[C@@H](C)CC1 ZINC000192180907 333231940 /nfs/dbraw/zinc/23/19/40/333231940.db2.gz ORMXKMAVXPZGLG-QWRGUYRKSA-N 0 1 271.376 3.853 20 0 CHADMN c1coc(-c2ncc(CNCc3ccsc3)s2)c1 ZINC000193004637 333241458 /nfs/dbraw/zinc/24/14/58/333241458.db2.gz JYEMAQOTIQRQNW-UHFFFAOYSA-N 0 1 276.386 3.754 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H]2COCc3ccccc32)cc1 ZINC000225991403 333244633 /nfs/dbraw/zinc/24/46/33/333244633.db2.gz VEJQYJFRWGDDMF-RDTXWAMCSA-N 0 1 267.372 3.917 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@@H]2COCc3ccccc32)s1 ZINC000225994221 333244637 /nfs/dbraw/zinc/24/46/37/333244637.db2.gz SDUFYLFZLAUXHT-XHDPSFHLSA-N 0 1 288.416 3.682 20 0 CHADMN COc1ccc([C@H](C)N[C@@H]2COCc3ccccc32)cc1 ZINC000226003723 333245199 /nfs/dbraw/zinc/24/51/99/333245199.db2.gz RRAZSSFRUBITBY-SCLBCKFNSA-N 0 1 283.371 3.617 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2cnc(C)s2)cc1 ZINC000193474281 333250876 /nfs/dbraw/zinc/25/08/76/333250876.db2.gz DGWUTYHOOSTTHH-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN CCc1ccc(CN(C)Cc2cnc(C)s2)cc1 ZINC000193474281 333250877 /nfs/dbraw/zinc/25/08/77/333250877.db2.gz DGWUTYHOOSTTHH-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN Cc1ncc(CN2CCC[C@@H]2c2cccc(F)c2)s1 ZINC000193490220 333251343 /nfs/dbraw/zinc/25/13/43/333251343.db2.gz WUKOVXSQWFBVAR-OAHLLOKOSA-N 0 1 276.380 3.928 20 0 CHADMN CCC[C@](C)(O)CNCc1c(Cl)cccc1Cl ZINC000226251124 333255271 /nfs/dbraw/zinc/25/52/71/333255271.db2.gz GALZLMGSWFPDRN-ZDUSSCGKSA-N 0 1 276.207 3.634 20 0 CHADMN Cc1cc(C)c([C@@H](C)[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c(C)c1 ZINC000226419839 333260471 /nfs/dbraw/zinc/26/04/71/333260471.db2.gz KRZJLRYDZUBYTE-CVEARBPZSA-N 0 1 289.419 3.860 20 0 CHADMN Fc1cccc(CN2CCC[C@H](C(F)(F)F)C2)c1 ZINC000194275248 333268368 /nfs/dbraw/zinc/26/83/68/333268368.db2.gz TWVXHEFHMXSXES-NSHDSACASA-N 0 1 261.262 3.600 20 0 CHADMN COc1cccc(CN[C@@H](c2ccc(F)cc2)C(C)C)n1 ZINC000226759263 333268744 /nfs/dbraw/zinc/26/87/44/333268744.db2.gz VSNPXWTXDVUWOR-QGZVFWFLSA-N 0 1 288.366 3.716 20 0 CHADMN CC[N@@H+](CCNCc1cccc(Cl)c1Cl)C1CC1 ZINC000227551355 333285533 /nfs/dbraw/zinc/28/55/33/333285533.db2.gz KPAKKWXRKXYLQP-UHFFFAOYSA-N 0 1 287.234 3.567 20 0 CHADMN CCN(C(=O)c1c(O)cccc1F)c1cccc(C)c1 ZINC000228840681 333297958 /nfs/dbraw/zinc/29/79/58/333297958.db2.gz SRAMTZGTVOFAMP-UHFFFAOYSA-N 0 1 273.307 3.506 20 0 CHADMN CCOc1cccc(CNCc2ccc(OC)cc2F)c1 ZINC000229742477 333308985 /nfs/dbraw/zinc/30/89/85/333308985.db2.gz VJCYNKLGDKJAPZ-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccc(C(=O)OC)o1)c1cccs1 ZINC000230624614 333319337 /nfs/dbraw/zinc/31/93/37/333319337.db2.gz HRXFVOGTLNPISI-QWRGUYRKSA-N 0 1 293.388 3.930 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1ccc(Cl)cc1F ZINC000230950018 333322940 /nfs/dbraw/zinc/32/29/40/333322940.db2.gz JXTCZEAESZXAKW-SSDOTTSWSA-N 0 1 269.669 3.910 20 0 CHADMN Cc1cccc(C)c1CN1CCO[C@H](c2ccccc2)C1 ZINC000523437273 333326792 /nfs/dbraw/zinc/32/67/92/333326792.db2.gz DHFGRUYRHREACE-IBGZPJMESA-N 0 1 281.399 3.877 20 0 CHADMN CCN(Cc1coc(-c2cccc(F)c2)n1)C1CCC1 ZINC000523440449 333327084 /nfs/dbraw/zinc/32/70/84/333327084.db2.gz KJSCSXBDQUKUIG-UHFFFAOYSA-N 0 1 274.339 3.855 20 0 CHADMN CCc1ccc(CNCc2nc(C)c(C)s2)s1 ZINC000231672585 333327501 /nfs/dbraw/zinc/32/75/01/333327501.db2.gz NRLBMNMLACKWOM-UHFFFAOYSA-N 0 1 266.435 3.674 20 0 CHADMN CCCCCC(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000523703118 333340096 /nfs/dbraw/zinc/34/00/96/333340096.db2.gz RNACOUHQNSOVGB-UHFFFAOYSA-N 0 1 292.770 3.644 20 0 CHADMN CCC(CC)N(C(=O)c1cc(-c2ccccc2)[nH]n1)C1CC1 ZINC000524254919 333358221 /nfs/dbraw/zinc/35/82/21/333358221.db2.gz ADBIOVKLJATTPX-UHFFFAOYSA-N 0 1 297.402 3.870 20 0 CHADMN Cc1cccc(NC(=O)CN(C)C[C@H](C)c2ccccc2)c1 ZINC000524309987 333359788 /nfs/dbraw/zinc/35/97/88/333359788.db2.gz QCMFPIBPDQRGOE-INIZCTEOSA-N 0 1 296.414 3.669 20 0 CHADMN CCCCc1noc(CN2CCC[C@H](C(C)C)CC2)n1 ZINC000524483507 333363021 /nfs/dbraw/zinc/36/30/21/333363021.db2.gz WQQKQDNKGRWLQZ-AWEZNQCLSA-N 0 1 279.428 3.670 20 0 CHADMN CCC[C@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000524518402 333364289 /nfs/dbraw/zinc/36/42/89/333364289.db2.gz ZUJABRFEWKOVBQ-GXTWGEPZSA-N 0 1 285.391 3.652 20 0 CHADMN Cc1cccc([C@@H](C)N[C@H](C)c2nccnc2C)c1 ZINC000235219053 333366755 /nfs/dbraw/zinc/36/67/55/333366755.db2.gz XGFSPBQYWNYJLX-TZMCWYRMSA-N 0 1 255.365 3.505 20 0 CHADMN CCN(Cc1ncc(-c2ccccc2)o1)C1CCC1 ZINC000524595251 333367881 /nfs/dbraw/zinc/36/78/81/333367881.db2.gz FIKVRBNDBAYXNA-UHFFFAOYSA-N 0 1 256.349 3.716 20 0 CHADMN C[C@H](C(=O)OC(C)(C)C)N1CCC[C@]2(CC=CCC2)C1 ZINC000524596438 333367943 /nfs/dbraw/zinc/36/79/43/333367943.db2.gz CWXUXYDZZQYCTO-RHSMWYFYSA-N 0 1 279.424 3.539 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cccc3ccccc32)[C@@H]1C(=O)[O-] ZINC000235710858 333371761 /nfs/dbraw/zinc/37/17/61/333371761.db2.gz OUZXAYMNIWBBJU-GUYCJALGSA-N 0 1 283.371 3.525 20 0 CHADMN Fc1cccc(CNc2nccn2-c2ccccc2)c1 ZINC000236251378 333373425 /nfs/dbraw/zinc/37/34/25/333373425.db2.gz HYRSUJJNJKVEHW-UHFFFAOYSA-N 0 1 267.307 3.624 20 0 CHADMN Fc1ccc(F)c(CNc2nccn2-c2ccccc2)c1 ZINC000236228291 333373494 /nfs/dbraw/zinc/37/34/94/333373494.db2.gz UAERQQFFJJQXOU-UHFFFAOYSA-N 0 1 285.297 3.763 20 0 CHADMN CCO[C@@H]1C[C@@H](N(C)Cc2cccc(F)c2F)C1(C)C ZINC000524894960 333392675 /nfs/dbraw/zinc/39/26/75/333392675.db2.gz DHRCDSCSRAWLGK-ZIAGYGMSSA-N 0 1 283.362 3.600 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1C[C@H](C)C[C@@H]1C ZINC000524894027 333392695 /nfs/dbraw/zinc/39/26/95/333392695.db2.gz ABQIRAAEXHQMEU-HIFRSBDPSA-N 0 1 288.435 3.787 20 0 CHADMN C[C@H](NC[C@@H](O)C1CCC1)c1cc(Cl)sc1Cl ZINC000316809167 333404832 /nfs/dbraw/zinc/40/48/32/333404832.db2.gz SXNQXAZWLQGWNA-OIBJUYFYSA-N 0 1 294.247 3.867 20 0 CHADMN C[C@H](NC[C@H]1CCCCC1(F)F)c1ncccc1F ZINC000528827504 333460705 /nfs/dbraw/zinc/46/07/05/333460705.db2.gz VKADSRRFTGEQTN-WDEREUQCSA-N 0 1 272.314 3.697 20 0 CHADMN c1ccc([C@H](NCc2ccc3c(n2)CCC3)C2CCC2)nc1 ZINC000529643142 333503132 /nfs/dbraw/zinc/50/31/32/333503132.db2.gz JKMAVELWAVEBPM-LJQANCHMSA-N 0 1 293.414 3.596 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N(C)Cc1cscn1 ZINC000173994355 335145811 /nfs/dbraw/zinc/14/58/11/335145811.db2.gz DFLYBYMFBQRYBO-MRXNPFEDSA-N 0 1 274.433 3.905 20 0 CHADMN O=C(NCCC1CCCCC1)c1ccc(O)c(Cl)c1 ZINC000037501553 333534001 /nfs/dbraw/zinc/53/40/01/333534001.db2.gz AQYCRTYMCNOJQZ-UHFFFAOYSA-N 0 1 281.783 3.746 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1ccccc1N(C)C ZINC000537972542 333552451 /nfs/dbraw/zinc/55/24/51/333552451.db2.gz OPSOGLLWWIXRIR-OAHLLOKOSA-N 0 1 298.430 3.920 20 0 CHADMN C[C@H](N[C@@H](C)C1CCCCC1)c1nc(C(C)(C)C)no1 ZINC000174142485 335148774 /nfs/dbraw/zinc/14/87/74/335148774.db2.gz OLYMYYCJWILBSJ-RYUDHWBXSA-N 0 1 279.428 3.987 20 0 CHADMN Cc1ccccc1C[C@@H](C)N(C)Cc1ncc(C2CC2)o1 ZINC000576069826 335148869 /nfs/dbraw/zinc/14/88/69/335148869.db2.gz UBSSGTHKKMIMRP-CQSZACIVSA-N 0 1 284.403 3.923 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccccc2N(C)C)o1 ZINC000539069907 333654835 /nfs/dbraw/zinc/65/48/35/333654835.db2.gz FCMOROYDKXRJSB-ZDUSSCGKSA-N 0 1 272.392 3.759 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccccc1OC)c1cccs1 ZINC000539082958 333656369 /nfs/dbraw/zinc/65/63/69/333656369.db2.gz KDCVFEZILPVFHZ-ZIAGYGMSSA-N 0 1 291.416 3.531 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)c1cscn1 ZINC000539089058 333656973 /nfs/dbraw/zinc/65/69/73/333656973.db2.gz IZWDTGMQZXPBDP-CYZMBNFOSA-N 0 1 250.411 3.763 20 0 CHADMN CO[C@H](C)[C@@H](C)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000539691100 333685586 /nfs/dbraw/zinc/68/55/86/333685586.db2.gz XPPWOCUEBPPIPJ-NXEZZACHSA-N 0 1 288.218 3.996 20 0 CHADMN CC[C@@H](C(=O)Nc1cc(C(C)=O)ccc1O)c1ccccc1 ZINC000539748779 333689358 /nfs/dbraw/zinc/68/93/58/333689358.db2.gz YKLJKRCFWVWGBS-OAHLLOKOSA-N 0 1 297.354 3.727 20 0 CHADMN C/C(=C\c1ccccc1)CNCc1nc(C)c(C)s1 ZINC000174434263 335154706 /nfs/dbraw/zinc/15/47/06/335154706.db2.gz UCYVHGLYSYJONA-FMIVXFBMSA-N 0 1 272.417 3.953 20 0 CHADMN C[C@@H](N[C@@H](C)c1cscn1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000540221313 333721921 /nfs/dbraw/zinc/72/19/21/333721921.db2.gz UXNKZCZYNPQILO-OVZMXSCWSA-N 0 1 288.416 3.747 20 0 CHADMN FCCN[C@H](COc1ccccc1F)c1ccccc1 ZINC000540368870 333727451 /nfs/dbraw/zinc/72/74/51/333727451.db2.gz HOSDYPHUOTUPBK-OAHLLOKOSA-N 0 1 277.314 3.505 20 0 CHADMN Cc1ccc([C@@H](N[C@@H]2c3ccccc3C[C@@H]2O)C2CCC2)o1 ZINC000541741598 333789024 /nfs/dbraw/zinc/78/90/24/333789024.db2.gz PUGKDKUEGOGXKH-YTQUADARSA-N 0 1 297.398 3.677 20 0 CHADMN COc1ccc2cc(CNCc3ccoc3)ccc2c1 ZINC000069833038 333793752 /nfs/dbraw/zinc/79/37/52/333793752.db2.gz QCCQCEPYDIXIGR-UHFFFAOYSA-N 0 1 267.328 3.731 20 0 CHADMN Cc1nc(C2(NC[C@@H]3CCCC[C@@H]3C)CCCCC2)no1 ZINC000542248217 333818737 /nfs/dbraw/zinc/81/87/37/333818737.db2.gz ZWBFYWSSLNIMNP-ZFWWWQNUSA-N 0 1 291.439 3.953 20 0 CHADMN Cc1nc2c(n1Cc1cc(C)ccc1C)CCCC2 ZINC000130493184 333844907 /nfs/dbraw/zinc/84/49/07/333844907.db2.gz VJAVJZFXCVFFNG-UHFFFAOYSA-N 0 1 254.377 3.735 20 0 CHADMN CC[C@@H](N[C@H](C)c1cc(C)cc(C)c1)c1ccn(C)n1 ZINC000543601674 333883377 /nfs/dbraw/zinc/88/33/77/333883377.db2.gz JDSHHJWHSZJNPB-GDBMZVCRSA-N 0 1 271.408 3.839 20 0 CHADMN CC[C@@H](NCc1cc2c(s1)CCCC2)c1ccn(C)n1 ZINC000543601084 333883412 /nfs/dbraw/zinc/88/34/12/333883412.db2.gz VLAJHUAOEGUEJC-CQSZACIVSA-N 0 1 289.448 3.601 20 0 CHADMN CC[C@@H](NCc1ccc2ccccc2c1)c1ccn(C)n1 ZINC000543602113 333883565 /nfs/dbraw/zinc/88/35/65/333883565.db2.gz JVHHYNDPZRDRRG-QGZVFWFLSA-N 0 1 279.387 3.814 20 0 CHADMN CC[C@H](NCc1ccccc1C)c1ccc(F)cn1 ZINC000131280640 333919962 /nfs/dbraw/zinc/91/99/62/333919962.db2.gz KQUGVOVMTAICRE-HNNXBMFYSA-N 0 1 258.340 3.770 20 0 CHADMN CCN(CC)[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000072557607 333943168 /nfs/dbraw/zinc/94/31/68/333943168.db2.gz RQPSIJYZFZAEBP-JTQLQIEISA-N 0 1 267.323 3.834 20 0 CHADMN Cc1ccccc1C(NCCF)c1ccccc1C ZINC000544896096 333951109 /nfs/dbraw/zinc/95/11/09/333951109.db2.gz HQDIOTIGBFYFOL-UHFFFAOYSA-N 0 1 257.352 3.952 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccnc3ccccc13)CO2 ZINC000545928208 334007248 /nfs/dbraw/zinc/00/72/48/334007248.db2.gz SPEDAKLCGURWOG-QGZVFWFLSA-N 0 1 294.329 3.597 20 0 CHADMN CCc1ccc(CNCc2cccc(OCC(F)F)c2)o1 ZINC000132926009 334010478 /nfs/dbraw/zinc/01/04/78/334010478.db2.gz RSFLROCRFNJVKT-UHFFFAOYSA-N 0 1 295.329 3.776 20 0 CHADMN CCC(CC)[N@@H+](Cc1cc(O)cc(F)c1)C1CC1 ZINC000546035229 334013752 /nfs/dbraw/zinc/01/37/52/334013752.db2.gz INMXSHPMXMFZRU-UHFFFAOYSA-N 0 1 251.345 3.684 20 0 CHADMN CCc1ccc(CN[C@@H]2CCc3ccc(F)cc32)o1 ZINC000133181068 334024423 /nfs/dbraw/zinc/02/44/23/334024423.db2.gz KZEZTBOVFXAMGL-MRXNPFEDSA-N 0 1 259.324 3.758 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)C(F)(F)F)n2)cc2nc[nH]c21 ZINC000546432739 334032238 /nfs/dbraw/zinc/03/22/38/334032238.db2.gz DKXAYSJBTMJXDV-SSDOTTSWSA-N 0 1 296.252 3.587 20 0 CHADMN CCC[C@@H](C)Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000546442161 334032707 /nfs/dbraw/zinc/03/27/07/334032707.db2.gz SAWGJNCUYGTRPC-SNVBAGLBSA-N 0 1 270.336 3.592 20 0 CHADMN Cc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc1F ZINC000546459737 334033817 /nfs/dbraw/zinc/03/38/17/334033817.db2.gz PLVPJRRXMVUGBW-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN CCn1ccnc1CN[C@@H]1c2ccccc2CCC[C@@H]1C ZINC000546611545 334040060 /nfs/dbraw/zinc/04/00/60/334040060.db2.gz IKEHQMFHSSFRCS-KSSFIOAISA-N 0 1 283.419 3.706 20 0 CHADMN Cn1cc(C(C)(C)NCc2cc(Cl)cc(Cl)c2)cn1 ZINC000546703251 334046971 /nfs/dbraw/zinc/04/69/71/334046971.db2.gz LWSJIANAJQWMEJ-UHFFFAOYSA-N 0 1 298.217 3.752 20 0 CHADMN Cc1sc(NC(=O)CN(CC(C)C)C2CC2)c(C)c1C ZINC000075624151 334047486 /nfs/dbraw/zinc/04/74/86/334047486.db2.gz BMAOEKJHFPGLIZ-UHFFFAOYSA-N 0 1 294.464 3.732 20 0 CHADMN Cc1cc(CNCc2nc3cc(C)ccc3n2C)c(C)s1 ZINC000546716885 334047671 /nfs/dbraw/zinc/04/76/71/334047671.db2.gz UPOUCRSOEWJBOR-UHFFFAOYSA-N 0 1 299.443 3.850 20 0 CHADMN Cc1cnc(CN2CCC[C@@H](C(C)(C)C)CC2)o1 ZINC000075747019 334050105 /nfs/dbraw/zinc/05/01/05/334050105.db2.gz GOVOVDALRJVORM-CYBMUJFWSA-N 0 1 250.386 3.631 20 0 CHADMN Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1C ZINC000075769473 334050739 /nfs/dbraw/zinc/05/07/39/334050739.db2.gz WDKQXYABXPSWFU-WBVHZDCISA-N 0 1 286.419 3.506 20 0 CHADMN COc1cc(C)nc(CN[C@H](C)c2c(C)cccc2C)c1 ZINC000546880965 334053484 /nfs/dbraw/zinc/05/34/84/334053484.db2.gz VVPKKRCJFTZJNH-OAHLLOKOSA-N 0 1 284.403 3.866 20 0 CHADMN CCC1(c2nc(-c3cc4nc[nH]c4c(C)c3)no2)CCC1 ZINC000547142813 334068916 /nfs/dbraw/zinc/06/89/16/334068916.db2.gz FWTMDBOPFZKHFE-UHFFFAOYSA-N 0 1 282.347 3.753 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H]1COc3ccc(F)cc31)CC2 ZINC000547356130 334083225 /nfs/dbraw/zinc/08/32/25/334083225.db2.gz YFVGPIZXUIQFRV-IAGOWNOFSA-N 0 1 283.346 3.845 20 0 CHADMN OCC[C@H](N[C@@H](CC1CC1)c1ccccc1)c1ccco1 ZINC000547400081 334085898 /nfs/dbraw/zinc/08/58/98/334085898.db2.gz OUXJQHNPYOHWEO-IRXDYDNUSA-N 0 1 285.387 3.834 20 0 CHADMN Cc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)cc(C)n1 ZINC000547492151 334093921 /nfs/dbraw/zinc/09/39/21/334093921.db2.gz GZCHFRUDVQIBHO-UHFFFAOYSA-N 0 1 298.386 3.839 20 0 CHADMN Cn1nccc1CNC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000237678853 334094889 /nfs/dbraw/zinc/09/48/89/334094889.db2.gz NWTGDJUXBDBYQX-UHFFFAOYSA-N 0 1 298.217 3.752 20 0 CHADMN CCC[C@@H]1CCCC[C@H]1NCc1csc(NC(C)=O)n1 ZINC000547508851 334096254 /nfs/dbraw/zinc/09/62/54/334096254.db2.gz DSMLYZYCXVBLOM-TZMCWYRMSA-N 0 1 295.452 3.550 20 0 CHADMN Cc1ccccc1CN[C@@H](C)c1nc2c(s1)CCC2 ZINC000134677076 334100045 /nfs/dbraw/zinc/10/00/45/334100045.db2.gz PZTIJPQDONMLHO-LBPRGKRZSA-N 0 1 272.417 3.791 20 0 CHADMN COc1cccc(Cl)c1CNCCOC1CCCCC1 ZINC000134783020 334104031 /nfs/dbraw/zinc/10/40/31/334104031.db2.gz IHWSQXBMIHEEEF-UHFFFAOYSA-N 0 1 297.826 3.788 20 0 CHADMN CC[C@@H]1CCN(Cc2ccc(OC)c(Br)c2)C1 ZINC000134985396 334110862 /nfs/dbraw/zinc/11/08/62/334110862.db2.gz OWDWRPGBMJQDSU-LLVKDONJSA-N 0 1 298.224 3.690 20 0 CHADMN Cc1ccc(C(C)(C)CN(C)Cc2nccs2)cc1 ZINC000135103080 334115466 /nfs/dbraw/zinc/11/54/66/334115466.db2.gz RQDHJSJHPYWQLY-UHFFFAOYSA-N 0 1 274.433 3.861 20 0 CHADMN C[C@H](CN(C)Cc1nc2ccccc2[nH]1)c1ccccc1 ZINC000547832104 334124862 /nfs/dbraw/zinc/12/48/62/334124862.db2.gz BJBIGMXVWHHMEQ-CQSZACIVSA-N 0 1 279.387 3.798 20 0 CHADMN C[C@@H]1CCC[C@@H](N(C)Cc2nc(Cc3ccccc3)no2)C1 ZINC000078539779 334135619 /nfs/dbraw/zinc/13/56/19/334135619.db2.gz XJFFGLVHIAYXAB-GDBMZVCRSA-N 0 1 299.418 3.671 20 0 CHADMN C[C@@H]1CCC[C@H](N(C)Cc2nc(Cc3ccccc3)no2)C1 ZINC000078539771 334135727 /nfs/dbraw/zinc/13/57/27/334135727.db2.gz XJFFGLVHIAYXAB-ZBFHGGJFSA-N 0 1 299.418 3.671 20 0 CHADMN C[C@@H](c1ccccc1Br)N1[C@H](C)C[C@H]1C ZINC000548096199 334139524 /nfs/dbraw/zinc/13/95/24/334139524.db2.gz DVJZGYSUFQWAPF-MXWKQRLJSA-N 0 1 268.198 3.993 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cccc(Cl)c1 ZINC000136034664 334144663 /nfs/dbraw/zinc/14/46/63/334144663.db2.gz JTVDYWZWAGPCMX-UHFFFAOYSA-N 0 1 277.755 3.747 20 0 CHADMN CC[C@H]1CCCC[C@@H]1N(C)Cc1csc(COC)n1 ZINC000548403541 334154545 /nfs/dbraw/zinc/15/45/45/334154545.db2.gz UFKUZYAXMAZTLN-JSGCOSHPSA-N 0 1 282.453 3.690 20 0 CHADMN Cc1ccc(-c2cc(CN3[C@@H](C)C[C@@H]3C)on2)cc1 ZINC000548426469 334155513 /nfs/dbraw/zinc/15/55/13/334155513.db2.gz VNGHQKFYSFPODJ-STQMWFEESA-N 0 1 256.349 3.633 20 0 CHADMN Cc1oc(-c2ccccc2)nc1CN1[C@@H](C)C[C@@H]1C ZINC000548426024 334155805 /nfs/dbraw/zinc/15/58/05/334155805.db2.gz FWCLJYJDMBOEOH-RYUDHWBXSA-N 0 1 256.349 3.633 20 0 CHADMN CCC[C@H](NC(=O)[C@H](C)N1[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000548426007 334155823 /nfs/dbraw/zinc/15/58/23/334155823.db2.gz BHZIWZQSGCWDNK-IVSAIRAKSA-N 0 1 288.435 3.515 20 0 CHADMN Cc1c(Br)cccc1CN1[C@H](C)C[C@H]1C ZINC000548753104 334169798 /nfs/dbraw/zinc/16/97/98/334169798.db2.gz JBTYKUFODYOKSJ-NXEZZACHSA-N 0 1 268.198 3.740 20 0 CHADMN CCS[C@@H](C)c1noc(CN(CC2CC2)CC2CC2)n1 ZINC000137482057 334173284 /nfs/dbraw/zinc/17/32/84/334173284.db2.gz KUDNULYVGARRNK-NSHDSACASA-N 0 1 295.452 3.506 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1cccc(O)c1 ZINC000080922823 334175321 /nfs/dbraw/zinc/17/53/21/334175321.db2.gz RXLXKNWYYKSECR-NSHDSACASA-N 0 1 277.314 3.863 20 0 CHADMN CCC[C@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000137767658 334179023 /nfs/dbraw/zinc/17/90/23/334179023.db2.gz ZRGZKTROFDNPLY-NSHDSACASA-N 0 1 281.783 3.698 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)c1cn[nH]c1C(C)(C)C ZINC000549107486 334185492 /nfs/dbraw/zinc/18/54/92/334185492.db2.gz LOIRSMFHHBBULM-UHFFFAOYSA-N 0 1 291.782 3.921 20 0 CHADMN O=C(Cc1[nH]nc2ccccc21)NCCCCC1CCCC1 ZINC000081360838 334186664 /nfs/dbraw/zinc/18/66/64/334186664.db2.gz ORTZMQPFFUEUJF-UHFFFAOYSA-N 0 1 299.418 3.582 20 0 CHADMN CC(C)COc1ccccc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549410064 334192946 /nfs/dbraw/zinc/19/29/46/334192946.db2.gz UNDUTJHLWUHRRI-AWEZNQCLSA-N 0 1 299.361 3.535 20 0 CHADMN CC(C)COc1ccccc1CN1CC[C@H](OC(F)F)C1 ZINC000549410064 334192949 /nfs/dbraw/zinc/19/29/49/334192949.db2.gz UNDUTJHLWUHRRI-AWEZNQCLSA-N 0 1 299.361 3.535 20 0 CHADMN CCOC(=O)CC[C@H](C)Sc1nc2ccc(C)cc2[nH]1 ZINC000549621272 334199924 /nfs/dbraw/zinc/19/99/24/334199924.db2.gz PNMPJZVZXJPMDY-NSHDSACASA-N 0 1 292.404 3.695 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CCCO[C@@H](C)C1 ZINC000246927342 334272184 /nfs/dbraw/zinc/27/21/84/334272184.db2.gz DJVYPYDVJOLFKW-XHDPSFHLSA-N 0 1 269.335 3.527 20 0 CHADMN Fc1cccc(CN2CCOC[C@H](C3CCC3)C2)c1Cl ZINC000549717619 334202548 /nfs/dbraw/zinc/20/25/48/334202548.db2.gz HFZABVHXTSZXCA-CQSZACIVSA-N 0 1 297.801 3.728 20 0 CHADMN CC[C@H](O)[C@H]1CCCCN1Cc1cccc(F)c1Cl ZINC000549857890 334206935 /nfs/dbraw/zinc/20/69/35/334206935.db2.gz UWAZMLJYDXOUKO-KGLIPLIRSA-N 0 1 285.790 3.605 20 0 CHADMN CCc1ccc(CN2CCC[C@H]2c2cccc(C)n2)nc1 ZINC000549866448 334207362 /nfs/dbraw/zinc/20/73/62/334207362.db2.gz WGQIATSZHGXPQM-SFHVURJKSA-N 0 1 281.403 3.685 20 0 CHADMN CCc1nocc1CN(C)CCCc1ccccc1Cl ZINC000549960276 334210375 /nfs/dbraw/zinc/21/03/75/334210375.db2.gz YFBUVWGTNNWECR-UHFFFAOYSA-N 0 1 292.810 3.955 20 0 CHADMN CCCCN(Cc1noc(CC)n1)[C@@H]1CCC[C@@H](C)C1 ZINC000550000576 334211129 /nfs/dbraw/zinc/21/11/29/334211129.db2.gz LJGZTDXZSPEUQH-ZIAGYGMSSA-N 0 1 279.428 3.813 20 0 CHADMN CC(C)[C@H]1CN(Cc2ccc(Cl)s2)CCCO1 ZINC000550562238 334224347 /nfs/dbraw/zinc/22/43/47/334224347.db2.gz RVXSNPHAJRHXDE-GFCCVEGCSA-N 0 1 273.829 3.648 20 0 CHADMN CC[C@H](N[C@H](C)c1cn2ccccc2n1)c1ccncc1 ZINC000550910260 334233354 /nfs/dbraw/zinc/23/33/54/334233354.db2.gz NOJWBUAJEDDZCX-HIFRSBDPSA-N 0 1 280.375 3.531 20 0 CHADMN COC[C@H](N[C@@H]1C=CCCCCC1)c1ccc(C)o1 ZINC000551060123 334237572 /nfs/dbraw/zinc/23/75/72/334237572.db2.gz QOVWODCENBKLRV-CABCVRRESA-N 0 1 263.381 3.754 20 0 CHADMN CCc1ccccc1CN[C@@H](C)c1cn2ccccc2n1 ZINC000551267882 334244186 /nfs/dbraw/zinc/24/41/86/334244186.db2.gz WUQYBDDXAZTKLQ-AWEZNQCLSA-N 0 1 279.387 3.748 20 0 CHADMN CC[C@@H](C)N1CCc2ccc(Br)cc2C1 ZINC000551466007 334251220 /nfs/dbraw/zinc/25/12/20/334251220.db2.gz XEGGDUCKQOURPO-SNVBAGLBSA-N 0 1 268.198 3.606 20 0 CHADMN CCCC1CCC(CNC(C)(C)c2nc(C)no2)CC1 ZINC000551619514 334255959 /nfs/dbraw/zinc/25/59/59/334255959.db2.gz HTGSTQRAICTNNT-UHFFFAOYSA-N 0 1 279.428 3.809 20 0 CHADMN CCN(CCCCCF)Cc1c(F)cccc1F ZINC000551699441 334258112 /nfs/dbraw/zinc/25/81/12/334258112.db2.gz CEXAXFOQQRPTCR-UHFFFAOYSA-N 0 1 259.315 3.927 20 0 CHADMN Cc1n[nH]cc1C1CCN(Cc2sccc2Cl)CC1 ZINC000551723890 334259353 /nfs/dbraw/zinc/25/93/53/334259353.db2.gz VDOZVOSPIXESLR-UHFFFAOYSA-N 0 1 295.839 3.813 20 0 CHADMN c1c2ccccc2oc1CN1CCOCC12CCCC2 ZINC000551826651 334263635 /nfs/dbraw/zinc/26/36/35/334263635.db2.gz ORZDFBVKQGNOBT-UHFFFAOYSA-N 0 1 271.360 3.578 20 0 CHADMN C[C@H](c1nc(Cc2ccccc2)no1)N1CCC[C@@H](C)CC1 ZINC000246537065 334263802 /nfs/dbraw/zinc/26/38/02/334263802.db2.gz CNZNLFYWSZNLFE-HUUCEWRRSA-N 0 1 299.418 3.843 20 0 CHADMN CCC[C@@H]1CCCN([C@H](C)c2nc(C(C)C)no2)C1 ZINC000246690706 334267087 /nfs/dbraw/zinc/26/70/87/334267087.db2.gz YMYPIAUTNXGZFO-CHWSQXEVSA-N 0 1 265.401 3.766 20 0 CHADMN CC[C@H]1CN(C)CCN1Cc1csc(Cl)c1Cl ZINC000552133025 334293128 /nfs/dbraw/zinc/29/31/28/334293128.db2.gz UOSJQDRVNDYWJS-JTQLQIEISA-N 0 1 293.263 3.581 20 0 CHADMN c1ccc([C@H]2C[C@@H]2CN2CCOC3(CCCCC3)C2)cc1 ZINC000552064053 334284291 /nfs/dbraw/zinc/28/42/91/334284291.db2.gz WGTOFELWHLFIBU-QZTJIDSGSA-N 0 1 285.431 3.825 20 0 CHADMN C[C@H](CN[C@@H](c1ncc[nH]1)C1CCCCC1)C(F)(F)F ZINC000552066280 334284719 /nfs/dbraw/zinc/28/47/19/334284719.db2.gz CRGGMZHCCVWMLZ-ZYHUDNBSSA-N 0 1 289.345 3.819 20 0 CHADMN CC[C@@H]1CCCN(Cc2nc3ccccc3n2CC)C1 ZINC000552077172 334286779 /nfs/dbraw/zinc/28/67/79/334286779.db2.gz FNCNYZKWDSGTKM-CQSZACIVSA-N 0 1 271.408 3.678 20 0 CHADMN CC(C)[C@@H]1CC[C@H]1N[C@@H](c1nccn1C)c1ccccc1 ZINC000552238941 334307149 /nfs/dbraw/zinc/30/71/49/334307149.db2.gz UELQLVXAIGHMAV-GVDBMIGSSA-N 0 1 283.419 3.534 20 0 CHADMN C[C@H](C(=O)Nc1ccccc1Cl)N1CCCC[C@@H](C)C1 ZINC000248578479 334307173 /nfs/dbraw/zinc/30/71/73/334307173.db2.gz UWNKQZWGVYHMRN-CHWSQXEVSA-N 0 1 294.826 3.789 20 0 CHADMN CCCCOC[C@@H](O)CN(C)[C@H](C)c1ccccc1Cl ZINC000248640410 334310335 /nfs/dbraw/zinc/31/03/35/334310335.db2.gz CAOWVVUAPUVBLB-KGLIPLIRSA-N 0 1 299.842 3.510 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])[C@H](C)c1cccc2ccccc21 ZINC000086776078 334315541 /nfs/dbraw/zinc/31/55/41/334315541.db2.gz UVRJXDBRKWIQRQ-CYBMUJFWSA-N 0 1 271.360 3.697 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000086756957 334315706 /nfs/dbraw/zinc/31/57/06/334315706.db2.gz YLJNEQZCNGBZLX-VXGBXAGGSA-N 0 1 281.783 3.588 20 0 CHADMN COC(=O)[C@@H]1CCN([C@@H](C)c2cccc(Cl)c2)C[C@H]1C ZINC000249034685 334325398 /nfs/dbraw/zinc/32/53/98/334325398.db2.gz FXLNGKODTYKJCP-TYNCELHUSA-N 0 1 295.810 3.532 20 0 CHADMN CC[C@]1(CO)CCCN([C@H](C)c2cc(F)ccc2F)C1 ZINC000249547523 334336175 /nfs/dbraw/zinc/33/61/75/334336175.db2.gz GPWMGYLTHMYIJV-WBMJQRKESA-N 0 1 283.362 3.510 20 0 CHADMN O=C(Cc1c(F)cccc1F)Nc1cccc(Cl)c1O ZINC000088375596 334337592 /nfs/dbraw/zinc/33/75/92/334337592.db2.gz KZGTUUXYVNZFRX-UHFFFAOYSA-N 0 1 297.688 3.505 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1CCC[C@@H](C)CC1 ZINC000249842722 334341025 /nfs/dbraw/zinc/34/10/25/334341025.db2.gz YGCWZUACDTUFOX-VXGBXAGGSA-N 0 1 291.420 3.981 20 0 CHADMN CCOC[C@H](C)N[C@@H](c1ccccc1)c1ccccc1OC ZINC000089555002 334346538 /nfs/dbraw/zinc/34/65/38/334346538.db2.gz UBWQSVJYPCDMPG-KXBFYZLASA-N 0 1 299.414 3.799 20 0 CHADMN Cc1cccc(C)c1C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000250995092 334354449 /nfs/dbraw/zinc/35/44/49/334354449.db2.gz FGSPNSLWHIYEDR-UAGQMJEPSA-N 0 1 287.403 3.521 20 0 CHADMN FC(F)(F)c1ccccc1CN1CCCSCC1 ZINC000089982252 334354828 /nfs/dbraw/zinc/35/48/28/334354828.db2.gz VJQPUYPYBUBKNP-UHFFFAOYSA-N 0 1 275.339 3.644 20 0 CHADMN Cc1cnc(CN2CCCC[C@H]2CCc2ccccc2)o1 ZINC000090010547 334355493 /nfs/dbraw/zinc/35/54/93/334355493.db2.gz OHSCRZBMFBLKGF-KRWDZBQOSA-N 0 1 284.403 3.970 20 0 CHADMN c1sc2ccccc2c1CN1CCOC[C@H]1C1CC1 ZINC000090010104 334355519 /nfs/dbraw/zinc/35/55/19/334355519.db2.gz ZSCNJUCURGNMQT-HNNXBMFYSA-N 0 1 273.401 3.512 20 0 CHADMN Cc1ccc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1C ZINC000251157936 334357337 /nfs/dbraw/zinc/35/73/37/334357337.db2.gz ISVLIXJPCPXTMK-BBWFWOEESA-N 0 1 287.403 3.521 20 0 CHADMN C[C@@H]1CCC[C@H](C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)C1 ZINC000251913266 334371789 /nfs/dbraw/zinc/37/17/89/334371789.db2.gz UEALCGBHARAXJZ-LEOABGAYSA-N 0 1 279.424 3.530 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)CCCc3ccccc3)ccc12 ZINC000091835392 334384430 /nfs/dbraw/zinc/38/44/30/334384430.db2.gz HQLPDQNXMQGYSB-UHFFFAOYSA-N 0 1 293.370 3.833 20 0 CHADMN CCc1cc(C(=O)Nc2cccc(Cl)c2O)ccc1O ZINC000553461974 334386482 /nfs/dbraw/zinc/38/64/82/334386482.db2.gz FESXYMPVUCTWCZ-UHFFFAOYSA-N 0 1 291.734 3.566 20 0 CHADMN Cc1nnc(CN[C@@H](CC2CCCCC2)C(C)(C)C)o1 ZINC000553661061 334394894 /nfs/dbraw/zinc/39/48/94/334394894.db2.gz JRUNOBFQICKREH-AWEZNQCLSA-N 0 1 279.428 3.853 20 0 CHADMN CCCN(CC)CC(=O)Nc1cccc(Cl)c1Cl ZINC000553804769 334399416 /nfs/dbraw/zinc/39/94/16/334399416.db2.gz RKHOYYNVAPEPGO-UHFFFAOYSA-N 0 1 289.206 3.664 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@@H]3CCCC(F)(F)C3)[nH]c2c1 ZINC000553825904 334399934 /nfs/dbraw/zinc/39/99/34/334399934.db2.gz IKJIARFEDCAIPB-SNVBAGLBSA-N 0 1 293.317 3.635 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccc(Cl)cc1)c1ccoc1 ZINC000554076803 334409563 /nfs/dbraw/zinc/40/95/63/334409563.db2.gz KWVFPWOZTOBVBD-ABAIWWIYSA-N 0 1 279.767 3.707 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccc(Cl)cc1)c1ccoc1 ZINC000554076806 334409577 /nfs/dbraw/zinc/40/95/77/334409577.db2.gz KWVFPWOZTOBVBD-XHDPSFHLSA-N 0 1 279.767 3.707 20 0 CHADMN CC[C@@H]1CC[C@@H]1N[C@H](CO)c1c(Cl)cccc1Cl ZINC000554096184 334412130 /nfs/dbraw/zinc/41/21/30/334412130.db2.gz JFZASCZJGIUAAI-JIMOISOXSA-N 0 1 288.218 3.805 20 0 CHADMN CC(C)(CO)[C@H](NCc1ccc(Cl)o1)c1ccccc1 ZINC000554867140 334457608 /nfs/dbraw/zinc/45/76/08/334457608.db2.gz KPJIRMTVWHSEMD-OAHLLOKOSA-N 0 1 293.794 3.782 20 0 CHADMN CCCCOc1ccc(CN2CC(C)C2)cc1OCC ZINC000555340824 334475474 /nfs/dbraw/zinc/47/54/74/334475474.db2.gz SFMHRDHJWMZNAW-UHFFFAOYSA-N 0 1 277.408 3.716 20 0 CHADMN CCCn1ccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)c1 ZINC000555396718 334476865 /nfs/dbraw/zinc/47/68/65/334476865.db2.gz FXIAXQGHNCLYHO-CZUORRHYSA-N 0 1 272.392 3.904 20 0 CHADMN CCO[C@@H]1C[C@H]1N[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000556078499 334494498 /nfs/dbraw/zinc/49/44/98/334494498.db2.gz OMCXTMFIUDABBT-NORZTCDRSA-N 0 1 259.349 3.569 20 0 CHADMN C[C@@H](NCC(C)(F)F)C1CCC(C(F)(F)F)CC1 ZINC000556221335 334501072 /nfs/dbraw/zinc/50/10/72/334501072.db2.gz MNJMYUIMRDVXQE-XNWIYYODSA-N 0 1 273.289 3.988 20 0 CHADMN CC1(C)Cc2occc2[C@@H](N[C@H]2CCC[C@H]2F)C1 ZINC000556261484 334504552 /nfs/dbraw/zinc/50/45/52/334504552.db2.gz SCRHGQTWKMRSHC-AGIUHOORSA-N 0 1 251.345 3.773 20 0 CHADMN Cc1cc([C@@H](C)NCCc2ccc(F)cc2Cl)no1 ZINC000556264417 334504865 /nfs/dbraw/zinc/50/48/65/334504865.db2.gz NNVKUZPIXZTRFI-SNVBAGLBSA-N 0 1 282.746 3.669 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccoc2)cc1F ZINC000094868437 334506562 /nfs/dbraw/zinc/50/65/62/334506562.db2.gz SQBBXAJIYOMLJE-MNOVXSKESA-N 0 1 263.312 3.839 20 0 CHADMN CCCOc1ccc(CNCc2occc2C)cc1 ZINC000266213037 334690797 /nfs/dbraw/zinc/69/07/97/334690797.db2.gz PCUCPTVZSRYUQY-UHFFFAOYSA-N 0 1 259.349 3.667 20 0 CHADMN Cc1ccccc1[C@@H](CO)NCc1cc(Cl)cs1 ZINC000567341575 334705585 /nfs/dbraw/zinc/70/55/85/334705585.db2.gz PLYPCPMFUSIJLG-CQSZACIVSA-N 0 1 281.808 3.533 20 0 CHADMN C[C@@H]1CCCC[C@H]1Cc1nc(C2(N)CCCCC2)no1 ZINC000567890685 334772465 /nfs/dbraw/zinc/77/24/65/334772465.db2.gz UYAGOIFHJNAMNI-OLZOCXBDSA-N 0 1 277.412 3.557 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000568107775 334792849 /nfs/dbraw/zinc/79/28/49/334792849.db2.gz YHERSLCVSQVBOZ-HIFRSBDPSA-N 0 1 299.418 3.984 20 0 CHADMN CN[C@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000158231119 334795581 /nfs/dbraw/zinc/79/55/81/334795581.db2.gz YTCGZILMYKMGQA-OAHLLOKOSA-N 0 1 279.355 3.996 20 0 CHADMN Cc1ccc(NC(=O)CN2CCC3(CCCC3)CC2)cc1 ZINC000569052866 334853148 /nfs/dbraw/zinc/85/31/48/334853148.db2.gz ZOMSICBWCCGXES-UHFFFAOYSA-N 0 1 286.419 3.590 20 0 CHADMN CC(C)[C@H]1CC[C@H]1N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000573167627 334914049 /nfs/dbraw/zinc/91/40/49/334914049.db2.gz RHCJCFSAFILGIL-NUEKZKHPSA-N 0 1 299.418 3.746 20 0 CHADMN Cc1nc([C@@](C)(NCC2CCCCCC2)C2CC2)no1 ZINC000573186384 334915675 /nfs/dbraw/zinc/91/56/75/334915675.db2.gz GAYKKUJQMQMGES-INIZCTEOSA-N 0 1 277.412 3.563 20 0 CHADMN Cc1nc([C@](C)(NCC2CCCCCC2)C2CC2)no1 ZINC000573186385 334915679 /nfs/dbraw/zinc/91/56/79/334915679.db2.gz GAYKKUJQMQMGES-MRXNPFEDSA-N 0 1 277.412 3.563 20 0 CHADMN Cc1cnccc1CN(C)CCOc1ccccc1Cl ZINC000576343392 335192001 /nfs/dbraw/zinc/19/20/01/335192001.db2.gz VEVSINVNWRFBCW-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@H]3C[C@H]3C3CCCCC3)c2[nH]1 ZINC000576371318 335195859 /nfs/dbraw/zinc/19/58/59/335195859.db2.gz JEORUMHFRSPDBW-HOCLYGCPSA-N 0 1 297.402 3.570 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000576405824 335199924 /nfs/dbraw/zinc/19/99/24/335199924.db2.gz USSDWUMLVSJCIB-TUKIKUTGSA-N 0 1 291.391 3.687 20 0 CHADMN CC(C)n1ccc(CN[C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)n1 ZINC000576445186 335204020 /nfs/dbraw/zinc/20/40/20/335204020.db2.gz YTINEGDUYDPNJB-HUUCEWRRSA-N 0 1 293.455 3.536 20 0 CHADMN CC(C)n1ccc(CN[C@H]2C[C@H](OC(C)(C)C)C2(C)C)n1 ZINC000576445185 335204083 /nfs/dbraw/zinc/20/40/83/335204083.db2.gz YTINEGDUYDPNJB-GJZGRUSLSA-N 0 1 293.455 3.536 20 0 CHADMN COc1ccc(CNC(C)(C)c2cccs2)c(F)c1 ZINC000576640955 335229821 /nfs/dbraw/zinc/22/98/21/335229821.db2.gz CPGXKRLZDRPFMK-UHFFFAOYSA-N 0 1 279.380 3.921 20 0 CHADMN C[C@H]1CCCN(Cc2cc(C(C)(C)C)on2)CC1 ZINC000576670151 335233063 /nfs/dbraw/zinc/23/30/63/335233063.db2.gz IVZZLDDNSNSXSS-LBPRGKRZSA-N 0 1 250.386 3.594 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000576685386 335234460 /nfs/dbraw/zinc/23/44/60/335234460.db2.gz VSGAFUJMRFDEQE-HOCLYGCPSA-N 0 1 281.440 3.780 20 0 CHADMN Cc1cc([C@H](C)[N@H+]2CCC[C@H]2c2ccco2)oc1C(=O)[O-] ZINC000576710131 335238442 /nfs/dbraw/zinc/23/84/42/335238442.db2.gz AZZKWDQYHGHPMN-RYUDHWBXSA-N 0 1 289.331 3.777 20 0 CHADMN Cc1cccc(CCN(C)Cc2cc(Cl)ccc2F)n1 ZINC000576938608 335266262 /nfs/dbraw/zinc/26/62/62/335266262.db2.gz GUBASJKOYGYPKA-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN CC[N@@H+](CC1CCCCCC1)C1CCC(C(=O)[O-])CC1 ZINC000577075715 335295970 /nfs/dbraw/zinc/29/59/70/335295970.db2.gz WPCKQMMOVVOMSW-UHFFFAOYSA-N 0 1 281.440 3.922 20 0 CHADMN COC[C@H](C)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000192739320 335298774 /nfs/dbraw/zinc/29/87/74/335298774.db2.gz FBFDOAFBVQMNMY-LBPRGKRZSA-N 0 1 291.341 3.679 20 0 CHADMN Oc1cccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000176634515 335314802 /nfs/dbraw/zinc/31/48/02/335314802.db2.gz BEYYXDLWGCBWCF-KRWDZBQOSA-N 0 1 295.382 3.928 20 0 CHADMN COc1cc2ccccc2cc1CNC1(CF)CCC1 ZINC000577279652 335334487 /nfs/dbraw/zinc/33/44/87/335334487.db2.gz CIPPSKDGGHAQGK-UHFFFAOYSA-N 0 1 273.351 3.830 20 0 CHADMN C[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000577286888 335335679 /nfs/dbraw/zinc/33/56/79/335335679.db2.gz WWDDERRMVVKEOS-FZMZJTMJSA-N 0 1 281.783 3.588 20 0 CHADMN CN(Cc1csc(-c2ccoc2)n1)C(C)(C)C ZINC000577370259 335343561 /nfs/dbraw/zinc/34/35/61/335343561.db2.gz YLECXDCGPNEZIJ-UHFFFAOYSA-N 0 1 250.367 3.633 20 0 CHADMN CC(C)=CCC[C@@H](C)CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000577377038 335344747 /nfs/dbraw/zinc/34/47/47/335344747.db2.gz SXLKNNZJQWTTAY-HIFRSBDPSA-N 0 1 289.423 3.676 20 0 CHADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000577381450 335345500 /nfs/dbraw/zinc/34/55/00/335345500.db2.gz XZQONXXMNNIBLX-AAEUAGOBSA-N 0 1 281.421 3.847 20 0 CHADMN Cc1cccc(CN[C@@H]2c3ccccc3O[C@@H]2C)c1 ZINC000577416802 335350669 /nfs/dbraw/zinc/35/06/69/335350669.db2.gz JLBPBHJDJVHHFU-DYVFJYSZSA-N 0 1 253.345 3.607 20 0 CHADMN Cc1ccccc1[C@H]1CN(C[C@@H]2CCC(F)(F)C2)CCO1 ZINC000577466990 335355388 /nfs/dbraw/zinc/35/53/88/335355388.db2.gz PPRWNLAFRNJPKA-GDBMZVCRSA-N 0 1 295.373 3.804 20 0 CHADMN Cc1ccccc1[C@H]1CN(C[C@H]2CCC(F)(F)C2)CCO1 ZINC000577466993 335355430 /nfs/dbraw/zinc/35/54/30/335355430.db2.gz PPRWNLAFRNJPKA-GOEBONIOSA-N 0 1 295.373 3.804 20 0 CHADMN CCc1cccc(C[NH2+]Cc2nc3ccc(C)cc3[nH]2)c1 ZINC000577616941 335378874 /nfs/dbraw/zinc/37/88/74/335378874.db2.gz JXKJBKHWKKCQQM-UHFFFAOYSA-N 0 1 279.387 3.724 20 0 CHADMN CCc1cccc(CNCc2nc3cc(C)ccc3[nH]2)c1 ZINC000577616941 335378875 /nfs/dbraw/zinc/37/88/75/335378875.db2.gz JXKJBKHWKKCQQM-UHFFFAOYSA-N 0 1 279.387 3.724 20 0 CHADMN CCc1cccc(CNCc2nc3ccc(C)cc3[nH]2)c1 ZINC000577616941 335378876 /nfs/dbraw/zinc/37/88/76/335378876.db2.gz JXKJBKHWKKCQQM-UHFFFAOYSA-N 0 1 279.387 3.724 20 0 CHADMN C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccoc1 ZINC000177940873 335405945 /nfs/dbraw/zinc/40/59/45/335405945.db2.gz IFCKSXVZNXQHAY-KPZWWZAWSA-N 0 1 299.370 3.853 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(-n2cccn2)cc1)c1ccoc1 ZINC000178186489 335421260 /nfs/dbraw/zinc/42/12/60/335421260.db2.gz DNORIXKVLDRQFF-ZIAGYGMSSA-N 0 1 281.359 3.877 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)c1ccoc1 ZINC000178186476 335421276 /nfs/dbraw/zinc/42/12/76/335421276.db2.gz DNORIXKVLDRQFF-UONOGXRCSA-N 0 1 281.359 3.877 20 0 CHADMN Cc1cccc(CN[C@@H]2c3ccc(F)cc3O[C@@H]2C)c1 ZINC000578277364 335594556 /nfs/dbraw/zinc/59/45/56/335594556.db2.gz ZXUKKMMXXVEMBE-PXAZEXFGSA-N 0 1 271.335 3.746 20 0 CHADMN Cc1oncc1CN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000181752470 335782791 /nfs/dbraw/zinc/78/27/91/335782791.db2.gz XQWXKDNPVYTXJE-OAHLLOKOSA-N 0 1 276.355 3.999 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@@H]2NCc1cncc(C)c1 ZINC000181840063 335787825 /nfs/dbraw/zinc/78/78/25/335787825.db2.gz MAHXDDFYSKEZBA-KRWDZBQOSA-N 0 1 282.387 3.702 20 0 CHADMN CCO[C@@H]1C[C@@H](NCc2nc(C(C)C)cs2)C1(C)C ZINC000181910625 335790587 /nfs/dbraw/zinc/79/05/87/335790587.db2.gz VLBFLAYNQAJBGA-CHWSQXEVSA-N 0 1 282.453 3.560 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H](C)C2CCCCC2)n1 ZINC000182945302 335852286 /nfs/dbraw/zinc/85/22/86/335852286.db2.gz KOSWVQZGSXTKTA-NWDGAFQWSA-N 0 1 297.468 3.942 20 0 CHADMN CCOc1cccc2cc([C@H](C)N[C@@H]3C[C@@H]3OCC)oc21 ZINC000580033236 335957851 /nfs/dbraw/zinc/95/78/51/335957851.db2.gz FMTUBASZAHKONL-GHJWDPDVSA-N 0 1 289.375 3.660 20 0 CHADMN CCCNc1ccc(CN[C@H](C)c2ccccn2)cc1 ZINC000193363439 335968712 /nfs/dbraw/zinc/96/87/12/335968712.db2.gz OCUZONDMJISDAS-CQSZACIVSA-N 0 1 269.392 3.754 20 0 CHADMN Clc1cccc(C2(NCc3cnccn3)CCCC2)c1 ZINC000580878891 335978382 /nfs/dbraw/zinc/97/83/82/335978382.db2.gz VWTWNQJKCPEIKF-UHFFFAOYSA-N 0 1 287.794 3.689 20 0 CHADMN CCN(CCOC)c1ccnc2cc(C(F)(F)F)ccc21 ZINC000581104205 336008332 /nfs/dbraw/zinc/00/83/32/336008332.db2.gz LOAPDJCWIFNVEF-UHFFFAOYSA-N 0 1 298.308 3.726 20 0 CHADMN COc1cc(CNC2(c3ccccc3F)CC2)ccc1C ZINC000194322835 336016689 /nfs/dbraw/zinc/01/66/89/336016689.db2.gz CGTFRYXAQUJMTP-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1CCCCCC(=O)[O-] ZINC000581195299 336022754 /nfs/dbraw/zinc/02/27/54/336022754.db2.gz AVZJNCSGMSGXEN-KBPBESRZSA-N 0 1 255.402 3.532 20 0 CHADMN C(=C\C1CCCC1)\c1nc(-c2ccn3cncc3c2)no1 ZINC000581310126 336045641 /nfs/dbraw/zinc/04/56/41/336045641.db2.gz KPZYNWUXPRICJD-WAYWQWQTSA-N 0 1 280.331 3.588 20 0 CHADMN CCc1cccc(CN[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)c1 ZINC000581315194 336047061 /nfs/dbraw/zinc/04/70/61/336047061.db2.gz UZJNAFGBFLGEFT-STQMWFEESA-N 0 1 286.423 3.731 20 0 CHADMN Cc1ncc(CN(C)CCc2c(F)cccc2Cl)s1 ZINC000195198598 336049359 /nfs/dbraw/zinc/04/93/59/336049359.db2.gz RZXNLUYCKGWNSB-UHFFFAOYSA-N 0 1 298.814 3.919 20 0 CHADMN CC(C)c1ccc([C@H](C)N(C)CC(=O)NC(C)(C)C)cc1 ZINC000195732492 336058989 /nfs/dbraw/zinc/05/89/89/336058989.db2.gz LSZVIWVFIUXWQY-AWEZNQCLSA-N 0 1 290.451 3.718 20 0 CHADMN C[C@@H]([N@@H+](C)Cc1cccc(C(=O)[O-])c1Cl)C(C)(C)C ZINC000381688790 336070941 /nfs/dbraw/zinc/07/09/41/336070941.db2.gz NFKZQJVROVNMCD-SNVBAGLBSA-N 0 1 283.799 3.905 20 0 CHADMN CC(C)[C@@H](C)[N@@H+](C)Cc1cccc(C(=O)[O-])c1Cl ZINC000382074060 336081224 /nfs/dbraw/zinc/08/12/24/336081224.db2.gz HKGHPKPVAFXUPX-SNVBAGLBSA-N 0 1 269.772 3.515 20 0 CHADMN CSc1ccc2c(c1)[C@H](NCc1cc(C)no1)CCC2 ZINC000581607833 336111593 /nfs/dbraw/zinc/11/15/93/336111593.db2.gz YLPDLNYKNBIWHZ-MRXNPFEDSA-N 0 1 288.416 3.872 20 0 CHADMN Cc1nnsc1CN[C@@H](C)c1cc2c(s1)CCCC2 ZINC000384267122 336122926 /nfs/dbraw/zinc/12/29/26/336122926.db2.gz QQRKILKEUVRIPC-VIFPVBQESA-N 0 1 293.461 3.638 20 0 CHADMN CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000384312353 336123606 /nfs/dbraw/zinc/12/36/06/336123606.db2.gz NTVBGDTYHPUQCE-ZYHUDNBSSA-N 0 1 253.773 3.666 20 0 CHADMN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cccc([O-])c1Cl ZINC000384312353 336123607 /nfs/dbraw/zinc/12/36/07/336123607.db2.gz NTVBGDTYHPUQCE-ZYHUDNBSSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1C[C@@H](NCc2c(Cl)cccc2Cl)[C@H](C)O1 ZINC000384541594 336125358 /nfs/dbraw/zinc/12/53/58/336125358.db2.gz DZERBFJHPPKZIO-VYUIOLGVSA-N 0 1 274.191 3.649 20 0 CHADMN CC[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1cccc(Cl)c1 ZINC000581731767 336139401 /nfs/dbraw/zinc/13/94/01/336139401.db2.gz ONUGNJRMONKTGB-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN C[C@@H](Cc1cccs1)[NH2+]Cc1cccc([O-])c1Cl ZINC000385588006 336152075 /nfs/dbraw/zinc/15/20/75/336152075.db2.gz HOMCQJPJLIYVIN-JTQLQIEISA-N 0 1 281.808 3.828 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(-c2ccc(C)cc2)no1 ZINC000386510523 336175776 /nfs/dbraw/zinc/17/57/76/336175776.db2.gz VUHKIFIZGXYKIZ-CYBMUJFWSA-N 0 1 273.380 3.742 20 0 CHADMN CC(C)C[C@H]1CCCN(Cc2ncc(C3CC3)o2)C1 ZINC000340688887 519409400 /nfs/dbraw/zinc/40/94/00/519409400.db2.gz KSPGKZUHQBYITN-CYBMUJFWSA-N 0 1 262.397 3.810 20 0 CHADMN CCCC[C@H](CC)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000279605269 521161887 /nfs/dbraw/zinc/16/18/87/521161887.db2.gz GQXYUCHGWJUOAH-VIFPVBQESA-N 0 1 273.327 3.811 20 0 CHADMN CCC[C@H](NCc1nccn1CC)c1ccccc1 ZINC000051922526 521165692 /nfs/dbraw/zinc/16/56/92/521165692.db2.gz FJYBVLQUJYBRJX-HNNXBMFYSA-N 0 1 257.381 3.534 20 0 CHADMN CCCN(CC)Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000282469486 521614560 /nfs/dbraw/zinc/61/45/60/521614560.db2.gz LNUJDOCZLDDQHC-UHFFFAOYSA-N 0 1 299.440 3.722 20 0 CHADMN CCSc1cc(CNCc2sccc2OC)ccn1 ZINC000275059283 521734161 /nfs/dbraw/zinc/73/41/61/521734161.db2.gz PDWKSULTBCVRFY-UHFFFAOYSA-N 0 1 294.445 3.554 20 0 CHADMN Cc1cc(CSc2nc(C=Cc3ccccc3)n[nH]2)on1 ZINC000344264112 533751602 /nfs/dbraw/zinc/75/16/02/533751602.db2.gz PFTDLCZKHRBWEO-FPLPWBNLSA-N 0 1 298.371 3.564 20 0 CHADMN C[C@H](NCCc1ccc(F)c(F)c1)c1c(F)cncc1F ZINC000353198976 533871264 /nfs/dbraw/zinc/87/12/64/533871264.db2.gz ASSYTGSLJZNGNR-VIFPVBQESA-N 0 1 298.283 3.531 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)C2(C)C)cn1 ZINC000336055040 533942248 /nfs/dbraw/zinc/94/22/48/533942248.db2.gz XHKYYIABBCBZHJ-GFCCVEGCSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1ccc(CN2CCc3c(F)cccc3C2)s1 ZINC000353529051 533955312 /nfs/dbraw/zinc/95/53/12/533955312.db2.gz PKIDYRQOBQSLQT-UHFFFAOYSA-N 0 1 261.365 3.754 20 0 CHADMN CS[C@@H]1CC[C@H]1NCc1csc(-c2ccccc2)n1 ZINC000344958058 534002936 /nfs/dbraw/zinc/00/29/36/534002936.db2.gz IQFYYSGFDXEDFQ-ZIAGYGMSSA-N 0 1 290.457 3.794 20 0 CHADMN C[C@@H](c1ccccc1)N(Cc1ccn(C)n1)CC1CCC1 ZINC000353822377 534104590 /nfs/dbraw/zinc/10/45/90/534104590.db2.gz VSDVRNCNWVILRX-HNNXBMFYSA-N 0 1 283.419 3.783 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000332627405 534129435 /nfs/dbraw/zinc/12/94/35/534129435.db2.gz OTNDGWJAVDVSTH-JQWIXIFHSA-N 0 1 271.364 3.636 20 0 CHADMN C[C@@H]1OCC[C@@]1(C)NCc1csc(-c2cccs2)n1 ZINC000344368521 534187526 /nfs/dbraw/zinc/18/75/26/534187526.db2.gz AXYMJWLAFXIVHB-IINYFYTJSA-N 0 1 294.445 3.529 20 0 CHADMN C[C@@H]1c2ccsc2CCN1Cc1cccc(O)c1 ZINC000350056441 534259245 /nfs/dbraw/zinc/25/92/45/534259245.db2.gz YVFXAGJKKPHJTQ-LLVKDONJSA-N 0 1 259.374 3.573 20 0 CHADMN C[C@@H]1CC[C@H](c2ccccc2)N(CC(=O)c2cccn2C)C1 ZINC000352797740 534261062 /nfs/dbraw/zinc/26/10/62/534261062.db2.gz BORXTWFYALASKJ-NVXWUHKLSA-N 0 1 296.414 3.681 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](c1nccn1C)C1CC1)CCC2 ZINC000187770596 518190040 /nfs/dbraw/zinc/19/00/40/518190040.db2.gz KYNDDFVHGISVJU-MSOLQXFVSA-N 0 1 295.430 3.847 20 0 CHADMN C/C(=C/c1ccc(F)cc1)c1nc([C@H](N)CC(C)C)no1 ZINC000339398107 518414043 /nfs/dbraw/zinc/41/40/43/518414043.db2.gz VNZCWBJMUHSTTJ-RBJHHQRMSA-N 0 1 289.354 3.815 20 0 CHADMN CC(C)(C)c1cnc(CN2CC[C@@H](c3ccccc3)C2)o1 ZINC000299302902 519069709 /nfs/dbraw/zinc/06/97/09/519069709.db2.gz BWQVLSRTPHRSIE-OAHLLOKOSA-N 0 1 284.403 3.962 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2ccccc2C(F)(F)F)n1 ZINC000339388941 519228129 /nfs/dbraw/zinc/22/81/29/519228129.db2.gz LWNIGRRKKQWLPT-LLVKDONJSA-N 0 1 299.296 3.801 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C[C@@H](C)c2ccccc2F)n1 ZINC000339394993 519232343 /nfs/dbraw/zinc/23/23/43/519232343.db2.gz JWENJDSCRUOBQG-BXUZGUMPSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H](C)Sc2ccccc2)n1 ZINC000339391155 519235450 /nfs/dbraw/zinc/23/54/50/519235450.db2.gz KZHIESHWLKGRON-DGCLKSJQSA-N 0 1 291.420 3.969 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H](C)Sc2ccccc2)n1 ZINC000339391156 519238301 /nfs/dbraw/zinc/23/83/01/519238301.db2.gz KZHIESHWLKGRON-WCQYABFASA-N 0 1 291.420 3.969 20 0 CHADMN CC(C)C[C@@H]1CCCCN1Cc1ncc(C2CC2)o1 ZINC000340695597 519260972 /nfs/dbraw/zinc/26/09/72/519260972.db2.gz MUSITTMZEJEXAO-AWEZNQCLSA-N 0 1 262.397 3.953 20 0 CHADMN CC(C)C[C@H](C)CN(C)Cc1nccn1CC(F)(F)F ZINC000337129309 519305176 /nfs/dbraw/zinc/30/51/76/519305176.db2.gz IIELPTKZPFYAKG-LBPRGKRZSA-N 0 1 291.361 3.559 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2ccc(C(C)C)cc2)n1 ZINC000339398946 519371065 /nfs/dbraw/zinc/37/10/65/519371065.db2.gz XJGGVCGUHRXAPK-AWEZNQCLSA-N 0 1 273.380 3.906 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2csc3c2CCCC3)n1 ZINC000339391704 519374799 /nfs/dbraw/zinc/37/47/99/519374799.db2.gz CDYAIHKVKWTTBU-LBPRGKRZSA-N 0 1 291.420 3.723 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H](C)OC2CCCCCC2)n1 ZINC000339365509 519377682 /nfs/dbraw/zinc/37/76/82/519377682.db2.gz WHININLHOWXKEF-OCCSQVGLSA-N 0 1 295.427 3.916 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2C[C@H]2c2ccc(F)cc2)n1 ZINC000339391150 519380113 /nfs/dbraw/zinc/38/01/13/519380113.db2.gz XFCNIIJLNUIRQF-MJBXVCDLSA-N 0 1 289.354 3.526 20 0 CHADMN CC(C)C1(NCc2nc(Cl)ccc2Cl)CC1 ZINC000292993552 519555506 /nfs/dbraw/zinc/55/55/06/519555506.db2.gz MKGKFVVQHCCFDV-UHFFFAOYSA-N 0 1 259.180 3.667 20 0 CHADMN CC(C)C1CCC(N[C@@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000195063127 519567951 /nfs/dbraw/zinc/56/79/51/519567951.db2.gz IXVVNMSNLPPPKC-BDVYOWHSSA-N 0 1 298.434 3.699 20 0 CHADMN CC(C)N(C)c1ccc(CN2CCC[C@H]2c2ccc[nH]2)cn1 ZINC000276782147 519632655 /nfs/dbraw/zinc/63/26/55/519632655.db2.gz QZYZYDLJZLBHFS-KRWDZBQOSA-N 0 1 298.434 3.591 20 0 CHADMN CC(C)CCN1Cc2cccc(NC(=O)C3CC=CC3)c2C1 ZINC000077741884 519654386 /nfs/dbraw/zinc/65/43/86/519654386.db2.gz ZUPHEWLULHUKRJ-UHFFFAOYSA-N 0 1 298.430 3.953 20 0 CHADMN CC(C)Oc1ccc([C@H](C)NCCF)cc1Cl ZINC000284283694 519781783 /nfs/dbraw/zinc/78/17/83/519781783.db2.gz JWAOKVAOLDEMHQ-JTQLQIEISA-N 0 1 259.752 3.747 20 0 CHADMN CC(C)Sc1cccc(Cl)c1CN[C@@H]1CCOC1 ZINC000354482867 519788143 /nfs/dbraw/zinc/78/81/43/519788143.db2.gz VBULUXNRVGQKJS-LLVKDONJSA-N 0 1 285.840 3.719 20 0 CHADMN CC(C)[C@@H](NCc1ccn(C)c1)c1cc(F)ccc1F ZINC000358763597 519799263 /nfs/dbraw/zinc/79/92/63/519799263.db2.gz ZTPDTYJQAZDTMU-MRXNPFEDSA-N 0 1 278.346 3.790 20 0 CHADMN CC(C)[C@@H]1C[C@@H](CNCc2cocn2)c2ccccc21 ZINC000280247705 519804898 /nfs/dbraw/zinc/80/48/98/519804898.db2.gz YSKLITYXYRIULO-GUYCJALGSA-N 0 1 270.376 3.691 20 0 CHADMN CC(C)[C@H](C)N(C)Cc1csc(-c2ccccn2)n1 ZINC000264929385 519811787 /nfs/dbraw/zinc/81/17/87/519811787.db2.gz MZIYUBVLZWRDFX-LBPRGKRZSA-N 0 1 275.421 3.681 20 0 CHADMN CC(C)[C@H](NCc1ncc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000130317286 519821195 /nfs/dbraw/zinc/82/11/95/519821195.db2.gz KWYQGWORDDEXQY-AWEZNQCLSA-N 0 1 297.324 3.915 20 0 CHADMN CC(C)c1cc(C(=O)N2CCC[C@H]2c2cccs2)n[nH]1 ZINC000045018104 519831515 /nfs/dbraw/zinc/83/15/15/519831515.db2.gz MWVAATNNOQUMSS-ZDUSSCGKSA-N 0 1 289.404 3.572 20 0 CHADMN CC(C)c1ccc(CNCc2ncccc2N(C)C)cc1 ZINC000289823645 519836229 /nfs/dbraw/zinc/83/62/29/519836229.db2.gz NTZBQJBTQZAGCX-UHFFFAOYSA-N 0 1 283.419 3.561 20 0 CHADMN CCC1(CN[C@H](c2ncc[nH]2)c2cccnc2)CCCCC1 ZINC000280146978 519843248 /nfs/dbraw/zinc/84/32/48/519843248.db2.gz PZTMJGPPXFVKPY-INIZCTEOSA-N 0 1 298.434 3.844 20 0 CHADMN CCOC[C@@H](C)N[C@@H](C)c1ccccc1Br ZINC000044688794 520077363 /nfs/dbraw/zinc/07/73/63/520077363.db2.gz MNFHUJSWHZBCKE-MNOVXSKESA-N 0 1 286.213 3.525 20 0 CHADMN CC(C)n1nccc1CN(C)[C@@H]1CCc2ccccc21 ZINC000279530472 520098591 /nfs/dbraw/zinc/09/85/91/520098591.db2.gz BYEHEBMCVHUALF-QGZVFWFLSA-N 0 1 269.392 3.583 20 0 CHADMN CC(C)n1nccc1CN1CCC[C@@H]1c1cccs1 ZINC000279633888 520099651 /nfs/dbraw/zinc/09/96/51/520099651.db2.gz LDFNAPSTNSEMAX-CQSZACIVSA-N 0 1 275.421 3.863 20 0 CHADMN CC(C)n1nccc1CN1CCC(c2ccsc2)CC1 ZINC000279959193 520100219 /nfs/dbraw/zinc/10/02/19/520100219.db2.gz PJBDYJXLTWLEFL-UHFFFAOYSA-N 0 1 289.448 3.905 20 0 CHADMN CCN(C(=O)c1cccc2[nH]c(C)nc21)[C@@H]1CCCC[C@@H]1C ZINC000338537111 520104450 /nfs/dbraw/zinc/10/44/50/520104450.db2.gz RFLNBHHUAKAQHB-BLLLJJGKSA-N 0 1 299.418 3.912 20 0 CHADMN CCC=C(C)C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000299286030 520194646 /nfs/dbraw/zinc/19/46/46/520194646.db2.gz GDZAQCOAQRWNAN-RILDOFPPSA-N 0 1 299.374 3.709 20 0 CHADMN Cc1noc([C@H](C)NC2CCC3(CCCCC3)CC2)n1 ZINC000330165877 534475684 /nfs/dbraw/zinc/47/56/84/534475684.db2.gz XJQISESCDWOSDK-LBPRGKRZSA-N 0 1 277.412 3.922 20 0 CHADMN CC1(C)CCCN1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000077382738 520335323 /nfs/dbraw/zinc/33/53/23/520335323.db2.gz AXGOKWIJTYGPMR-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN CCCOc1ccc([C@@H](C)N[C@@H](C)c2nccnc2C)cc1 ZINC000275945802 520416887 /nfs/dbraw/zinc/41/68/87/520416887.db2.gz ZWUZUSYSCNSOTF-HIFRSBDPSA-N 0 1 299.418 3.986 20 0 CHADMN CC1(C)CN(CCCc2c(F)cccc2Cl)CC[C@@H]1O ZINC000278440464 520464990 /nfs/dbraw/zinc/46/49/90/520464990.db2.gz VTKRCDLZNMPIGR-HNNXBMFYSA-N 0 1 299.817 3.505 20 0 CHADMN CC1(C)CN(Cc2c[nH]c3nccnc23)[C@@H]1c1cccs1 ZINC000291003845 520471030 /nfs/dbraw/zinc/47/10/30/520471030.db2.gz BEHJJCIDFSWLNZ-CQSZACIVSA-N 0 1 298.415 3.603 20 0 CHADMN CCCOc1ncccc1CNCc1cccc2[nH]ccc21 ZINC000236982449 520501629 /nfs/dbraw/zinc/50/16/29/520501629.db2.gz NSIKOQYIJVIPHK-UHFFFAOYSA-N 0 1 295.386 3.642 20 0 CHADMN CC1(C)C[C@@H]1NCc1csc(Cl)c1Cl ZINC000307627800 520542968 /nfs/dbraw/zinc/54/29/68/520542968.db2.gz VUXXUUTVQIJIMA-ZETCQYMHSA-N 0 1 250.194 3.943 20 0 CHADMN CCOc1cc(CN[C@@H](C)c2ccc(C)o2)ccc1OC ZINC000034993648 520725917 /nfs/dbraw/zinc/72/59/17/520725917.db2.gz SOZBVIAJPXZTOL-ZDUSSCGKSA-N 0 1 289.375 3.846 20 0 CHADMN CC1(NCc2ncc(C(F)(F)F)s2)CCCC1 ZINC000278755182 520769391 /nfs/dbraw/zinc/76/93/91/520769391.db2.gz WUMNJGDOLIUYEW-UHFFFAOYSA-N 0 1 264.316 3.584 20 0 CHADMN CCC[C@@H](NCc1ncccc1N(C)C)c1ccccc1 ZINC000289745243 520786142 /nfs/dbraw/zinc/78/61/42/520786142.db2.gz KVPUSBZNKJQVNN-MRXNPFEDSA-N 0 1 283.419 3.779 20 0 CHADMN c1csc(CN2CCC[C@H](c3ccccc3)C2)n1 ZINC000353642829 534521003 /nfs/dbraw/zinc/52/10/03/534521003.db2.gz IXIFMVIHDPLGTL-AWEZNQCLSA-N 0 1 258.390 3.523 20 0 CHADMN Fc1cccc(Cl)c1CN1CCCC2(CCOCC2)C1 ZINC000353680439 534521357 /nfs/dbraw/zinc/52/13/57/534521357.db2.gz JONIRCLLHJFADU-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN CCCCOc1ccc(OC)cc1NCc1[nH]ncc1C ZINC000289497161 520892169 /nfs/dbraw/zinc/89/21/69/520892169.db2.gz LPTPYHPJWJFAIW-UHFFFAOYSA-N 0 1 289.379 3.518 20 0 CHADMN CC1CCC(N(C)C(=O)c2c[nH]c3ccccc3c2=O)CC1 ZINC000299106143 520935700 /nfs/dbraw/zinc/93/57/00/520935700.db2.gz URJSSJARHMCOLI-UHFFFAOYSA-N 0 1 298.386 3.591 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccc(C)o2)cc1OC ZINC000034993604 521007949 /nfs/dbraw/zinc/00/79/49/521007949.db2.gz VCWTUYFMOSQFJH-ZDUSSCGKSA-N 0 1 289.375 3.846 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1cccc(Cl)n1 ZINC000075640614 521328410 /nfs/dbraw/zinc/32/84/10/521328410.db2.gz OAJPGHAYZGASMV-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN CCN(Cc1ccc2ccccc2c1)C(=O)c1cc(C)[nH]n1 ZINC000340043272 521334400 /nfs/dbraw/zinc/33/44/00/521334400.db2.gz MWBIZLJXZRHREQ-UHFFFAOYSA-N 0 1 293.370 3.534 20 0 CHADMN CCC1(C)CCN(C(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC000338665482 521677677 /nfs/dbraw/zinc/67/76/77/521677677.db2.gz DZQDIKWTHPBWFK-UHFFFAOYSA-N 0 1 285.391 3.524 20 0 CHADMN CCC1(CC)CCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000284568591 521686377 /nfs/dbraw/zinc/68/63/77/521686377.db2.gz YSXXISUBSDZRNC-UHFFFAOYSA-N 0 1 285.391 3.524 20 0 CHADMN CCCN(Cc1ncc(C)cn1)[C@H]1CCc2ccccc21 ZINC000340677030 521695261 /nfs/dbraw/zinc/69/52/61/521695261.db2.gz TZXWYFXTVVCRPV-KRWDZBQOSA-N 0 1 281.403 3.685 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1N[C@H](C)c1cc(C)on1 ZINC000340526260 521724231 /nfs/dbraw/zinc/72/42/31/521724231.db2.gz PXNABBAISIKXCA-YRGRVCCFSA-N 0 1 268.426 3.698 20 0 CHADMN CCSc1cc(CN[C@@H](C)c2cc(C)ccn2)ccn1 ZINC000287555805 521734180 /nfs/dbraw/zinc/73/41/80/521734180.db2.gz PZEMZHJXAYNOLS-ZDUSSCGKSA-N 0 1 287.432 3.748 20 0 CHADMN CCc1ccccc1CN[C@H](CCOC)c1ccco1 ZINC000275580574 521843358 /nfs/dbraw/zinc/84/33/58/521843358.db2.gz HWUAJMJXXBBPQC-MRXNPFEDSA-N 0 1 273.376 3.709 20 0 CHADMN COCC[C@@H](NCc1ccc(Cl)c(F)c1)c1ccco1 ZINC000272613605 521858068 /nfs/dbraw/zinc/85/80/68/521858068.db2.gz VBRHYPBTQDNDRU-CQSZACIVSA-N 0 1 297.757 3.940 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2cc(C)cc(C)c2)n[nH]1 ZINC000277427545 522051895 /nfs/dbraw/zinc/05/18/95/522051895.db2.gz NDZPKYJTAOKMBD-KBPBESRZSA-N 0 1 286.423 3.786 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2c3ccccc3C[C@@H]2C)o1 ZINC000291935260 522209243 /nfs/dbraw/zinc/20/92/43/522209243.db2.gz PFJOHGBGVUJQNA-GTNSWQLSSA-N 0 1 270.376 3.569 20 0 CHADMN CC[C@@H](C)Oc1cccc(NCc2[nH]ncc2C)c1 ZINC000289413388 522272246 /nfs/dbraw/zinc/27/22/46/522272246.db2.gz AOEMIMTVWQPRHQ-GFCCVEGCSA-N 0 1 259.353 3.508 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1ncc(C2CC2)o1)C1CC1 ZINC000340855108 522286813 /nfs/dbraw/zinc/28/68/13/522286813.db2.gz ZEZCUNBNYPSKFI-VXGBXAGGSA-N 0 1 262.397 3.951 20 0 CHADMN CN(C)c1cccnc1CN[C@@H]1CCCCc2ccccc21 ZINC000289664118 522300037 /nfs/dbraw/zinc/30/00/37/522300037.db2.gz GURYHQNIWGPBAH-QGZVFWFLSA-N 0 1 295.430 3.705 20 0 CHADMN COC[C@@H](NCCC(F)(F)F)c1ccc(Cl)cc1 ZINC000278601904 522351972 /nfs/dbraw/zinc/35/19/72/522351972.db2.gz HENHKCDVCGHBAX-LLVKDONJSA-N 0 1 281.705 3.570 20 0 CHADMN COc1cc(CN(C)[C@@H](C)c2ccc(Cl)cc2)ccn1 ZINC000339868338 522355367 /nfs/dbraw/zinc/35/53/67/522355367.db2.gz WTYFVQFICBHUSR-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN COC(=O)c1coc([C@H](C)N[C@@H](c2ccccc2)C2CC2)c1 ZINC000278336829 522378939 /nfs/dbraw/zinc/37/89/39/522378939.db2.gz XCNHYLQTXYYCMC-SJCJKPOMSA-N 0 1 299.370 3.868 20 0 CHADMN COC[C@@H](N[C@H](C)c1ccncc1)c1cccc(Cl)c1 ZINC000290508412 522381593 /nfs/dbraw/zinc/38/15/93/522381593.db2.gz YLXMHXOGGPLCHF-MLGOLLRUSA-N 0 1 290.794 3.773 20 0 CHADMN CCc1nc([C@@H](C)N[C@H]2CCC(C)(C)c3ccccc32)n[nH]1 ZINC000280932276 522425903 /nfs/dbraw/zinc/42/59/03/522425903.db2.gz RUPWWTFVCNVQRA-DOMZBBRYSA-N 0 1 298.434 3.830 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2sccc2Cl)n[nH]1 ZINC000278858422 522438204 /nfs/dbraw/zinc/43/82/04/522438204.db2.gz XQVFFUAFFZDKEJ-RKDXNWHRSA-N 0 1 298.843 3.884 20 0 CHADMN CC[C@H](NCc1occc1C)c1ccc2c(c1)OCCO2 ZINC000266232876 522675172 /nfs/dbraw/zinc/67/51/72/522675172.db2.gz UZXBQWYOGACPAQ-AWEZNQCLSA-N 0 1 287.359 3.600 20 0 CHADMN CCc1nnc([C@H](C)N2CCC[C@H](c3ccccc3)CC2)o1 ZINC000111217456 522792254 /nfs/dbraw/zinc/79/22/54/522792254.db2.gz WRIBKGYFZFCMAZ-HOCLYGCPSA-N 0 1 299.418 3.963 20 0 CHADMN CCc1noc(C)c1CNCc1cc(C)c(C)cc1C ZINC000293123711 522842727 /nfs/dbraw/zinc/84/27/27/522842727.db2.gz ZJLYTURUANVIEW-UHFFFAOYSA-N 0 1 272.392 3.760 20 0 CHADMN CCc1noc(C)c1CN[C@@H](CC)c1ccc(OC)cc1 ZINC000271655035 522844809 /nfs/dbraw/zinc/84/48/09/522844809.db2.gz JXTRCQLBZMSVCO-INIZCTEOSA-N 0 1 288.391 3.795 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000293574179 522848697 /nfs/dbraw/zinc/84/86/97/522848697.db2.gz BONRLBAKANDQTD-SGTLLEGYSA-N 0 1 284.403 3.877 20 0 CHADMN CC[C@@H](NCc1ccc(F)cn1)c1ccc(F)cc1 ZINC000357552003 522875528 /nfs/dbraw/zinc/87/55/28/522875528.db2.gz VHCKOPWMMKGFGE-OAHLLOKOSA-N 0 1 262.303 3.601 20 0 CHADMN CC[C@@H](NCc1ncc(C)c(OC)c1C)c1ccccc1 ZINC000051628168 522896641 /nfs/dbraw/zinc/89/66/41/522896641.db2.gz LZCSOLLRFGDPIQ-MRXNPFEDSA-N 0 1 284.403 3.948 20 0 CHADMN COCC1(CNc2ccnc3cc(F)ccc32)CCC1 ZINC000336932007 522905996 /nfs/dbraw/zinc/90/59/96/522905996.db2.gz QJBKRKZNGNVDOL-UHFFFAOYSA-N 0 1 274.339 3.603 20 0 CHADMN COc1cc([C@@H](C)NCc2ccco2)ccc1OC(C)C ZINC000069674812 522907886 /nfs/dbraw/zinc/90/78/86/522907886.db2.gz ZDAMTIDQUHDQCN-CYBMUJFWSA-N 0 1 289.375 3.926 20 0 CHADMN COCC1=CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000275047520 522922673 /nfs/dbraw/zinc/92/26/73/522922673.db2.gz ZGTZMMVKLGUIRI-GFCCVEGCSA-N 0 1 265.784 3.680 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1ccsc1 ZINC000296717207 522924171 /nfs/dbraw/zinc/92/41/71/522924171.db2.gz IMDDAMANHIGLRJ-CHWSQXEVSA-N 0 1 261.394 3.590 20 0 CHADMN COc1cc([C@H](C)N[C@@H]2CCc3ccccc32)c(F)cn1 ZINC000287537420 522948703 /nfs/dbraw/zinc/94/87/03/522948703.db2.gz DWPOJTVIVPZVPN-MEDUHNTESA-N 0 1 286.350 3.567 20 0 CHADMN CCc1nocc1CNCc1ccc(C(F)(F)F)cc1C ZINC000339369309 522949414 /nfs/dbraw/zinc/94/94/14/522949414.db2.gz PHHNMAPALAKAFE-UHFFFAOYSA-N 0 1 298.308 3.854 20 0 CHADMN COCc1ccc(CN[C@H](C)c2ccccc2OC)cc1 ZINC000088567069 522994940 /nfs/dbraw/zinc/99/49/40/522994940.db2.gz KAVBLPVRNJLJBX-CQSZACIVSA-N 0 1 285.387 3.692 20 0 CHADMN COCc1ccc(CN[C@H](C)c2ccc(C)o2)cc1 ZINC000088567336 522995321 /nfs/dbraw/zinc/99/53/21/522995321.db2.gz LELZCQKADGEXKP-CYBMUJFWSA-N 0 1 259.349 3.585 20 0 CHADMN COc1cc2c(cc1F)CC[C@@H]2NCc1occc1C ZINC000337878367 523008617 /nfs/dbraw/zinc/00/86/17/523008617.db2.gz WGHFJYYOGJFBGX-AWEZNQCLSA-N 0 1 275.323 3.513 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1cccc(NC(C)=O)c1 ZINC000130125021 523119513 /nfs/dbraw/zinc/11/95/13/523119513.db2.gz SBQLEYTUVQGNNC-SFHVURJKSA-N 0 1 297.402 3.623 20 0 CHADMN COCc1nc(CN[C@H](C)CCC=C(C)C)cs1 ZINC000289682926 523202379 /nfs/dbraw/zinc/20/23/79/523202379.db2.gz HUTFEPQZTWXNKW-GFCCVEGCSA-N 0 1 268.426 3.514 20 0 CHADMN CN(Cc1ccc2ccccc2c1)Cc1ccccn1 ZINC000339921244 523282748 /nfs/dbraw/zinc/28/27/48/523282748.db2.gz CMEJYXWNOFYEEV-UHFFFAOYSA-N 0 1 262.356 3.867 20 0 CHADMN CC[C@@H]1CCN(Cc2coc(-c3cccs3)n2)C1 ZINC000125833670 523333403 /nfs/dbraw/zinc/33/34/03/523333403.db2.gz FVVWBGNWRXCMQL-LLVKDONJSA-N 0 1 262.378 3.635 20 0 CHADMN CO[C@@H](CN1CCc2cccc(F)c2C1)c1ccccc1 ZINC000338539272 523509677 /nfs/dbraw/zinc/50/96/77/523509677.db2.gz FZSIVJQNGCZRGL-SFHVURJKSA-N 0 1 285.362 3.572 20 0 CHADMN CCn1ccnc1CN1CC[C@H](c2ccc(C)cc2C)C1 ZINC000366367176 523536393 /nfs/dbraw/zinc/53/63/93/523536393.db2.gz DCJFEWATZSZGTE-INIZCTEOSA-N 0 1 283.419 3.509 20 0 CHADMN CCn1cnnc1CN[C@@H](c1ccccc1C)C1CCCC1 ZINC000292289493 523591082 /nfs/dbraw/zinc/59/10/82/523591082.db2.gz VEQGGRRZGBQZKH-GOSISDBHSA-N 0 1 298.434 3.628 20 0 CHADMN CCn1nc(CN[C@@H](C)c2cccs2)c2ccccc21 ZINC000089174116 523679743 /nfs/dbraw/zinc/67/97/43/523679743.db2.gz ZEKWKVYHAYXRGG-LBPRGKRZSA-N 0 1 285.416 3.969 20 0 CHADMN CO[C@H](C)[C@@H](C)NCc1cc(Cl)sc1Cl ZINC000308921089 523890440 /nfs/dbraw/zinc/89/04/40/523890440.db2.gz HBFHEFBQUMSLMT-RNFRBKRXSA-N 0 1 268.209 3.568 20 0 CHADMN CCc1ccc(N[C@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000340315022 523996788 /nfs/dbraw/zinc/99/67/88/523996788.db2.gz RLAAYLNIRRWRBB-CQSZACIVSA-N 0 1 284.388 3.630 20 0 CHADMN COc1ccc(CN(Cc2cccnc2)C2CC2)cc1C ZINC000290361551 524014333 /nfs/dbraw/zinc/01/43/33/524014333.db2.gz GVXPQYAPRINRIV-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN COCCO[C@@H]1CCCN([C@H](C)c2ccc(Cl)cc2)C1 ZINC000340803823 524031492 /nfs/dbraw/zinc/03/14/92/524031492.db2.gz TZPWOYFRZPPTHL-CZUORRHYSA-N 0 1 297.826 3.528 20 0 CHADMN CCc1ccc([C@@H]2CCN(Cc3cc(C)on3)C2)cc1 ZINC000293226175 524037581 /nfs/dbraw/zinc/03/75/81/524037581.db2.gz GZSZBRJONYBXQD-MRXNPFEDSA-N 0 1 270.376 3.535 20 0 CHADMN COc1ccc(CN[C@H](C)c2cccc(Cl)c2)nc1 ZINC000272054292 524088832 /nfs/dbraw/zinc/08/88/32/524088832.db2.gz QWTWRERORLFYAK-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN Cc1cccc(/C=C/c2nc([C@H](N)CC(C)C)no2)c1 ZINC000339387927 524152483 /nfs/dbraw/zinc/15/24/83/524152483.db2.gz RNUHLMKTMBSLLY-HSBSLETESA-N 0 1 271.364 3.594 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC3(CC3)CC2)c1 ZINC000366687856 524154773 /nfs/dbraw/zinc/15/47/73/524154773.db2.gz RKGCLAQHSRINTI-HNNXBMFYSA-N 0 1 286.419 3.506 20 0 CHADMN C[C@H](CCN1CCOC[C@H]1CC(F)F)c1ccccc1 ZINC000289963231 524178381 /nfs/dbraw/zinc/17/83/81/524178381.db2.gz ZDWQPNPLZOPQRA-UKRRQHHQSA-N 0 1 283.362 3.536 20 0 CHADMN Cc1cc(C(C)(C)C)cc(C)c1C[N@H+](C)C[C@@H](C)C(=O)[O-] ZINC000042707194 524198392 /nfs/dbraw/zinc/19/83/92/524198392.db2.gz WDIVMSRVBHQFMO-CQSZACIVSA-N 0 1 291.435 3.753 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1CCC[C@@H]1C ZINC000076116665 524231348 /nfs/dbraw/zinc/23/13/48/524231348.db2.gz RGKLBZZBARABGZ-AWEZNQCLSA-N 0 1 274.408 3.541 20 0 CHADMN COc1ccc(Cl)cc1[C@@H](C)NC1CC(F)(F)C1 ZINC000277147477 524251749 /nfs/dbraw/zinc/25/17/49/524251749.db2.gz PVQPNZXTPXMNCK-MRVPVSSYSA-N 0 1 275.726 3.797 20 0 CHADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1F)N1[C@H](C)CC[C@H]1C ZINC000164149599 524253376 /nfs/dbraw/zinc/25/33/76/524253376.db2.gz XVXMIVVBHUCJGQ-MXWKQRLJSA-N 0 1 298.789 3.679 20 0 CHADMN COc1ccccc1-c1nc(CN2CC[C@H](C)C2)cs1 ZINC000263713114 524279441 /nfs/dbraw/zinc/27/94/41/524279441.db2.gz NMTPZULCTRZHOJ-LBPRGKRZSA-N 0 1 288.416 3.661 20 0 CHADMN C[C@@H]1CCC[C@@H](NC(=O)c2sccc2CN(C)C)CC1 ZINC000277072347 524316400 /nfs/dbraw/zinc/31/64/00/524316400.db2.gz IXCSBAQOANDFQP-TZMCWYRMSA-N 0 1 294.464 3.508 20 0 CHADMN COc1ccccc1/C=C/CN(Cc1cccnc1)C1CC1 ZINC000290407586 524317639 /nfs/dbraw/zinc/31/76/39/524317639.db2.gz JXFSOZSLMRIGIN-VMPITWQZSA-N 0 1 294.398 3.768 20 0 CHADMN COc1ccc(F)cc1[C@H](C)NCc1ccc(F)cc1 ZINC000037089704 524332131 /nfs/dbraw/zinc/33/21/31/524332131.db2.gz MDYXETPMAFIXPY-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN COc1ccc(F)cc1[C@H](C)N[C@@H](C)c1cccc(O)c1 ZINC000037089959 524332435 /nfs/dbraw/zinc/33/24/35/524332435.db2.gz PRXBJEPIWFTNMQ-RYUDHWBXSA-N 0 1 289.350 3.952 20 0 CHADMN Cc1cccc2c1OCC[C@H]2NCc1ccccc1N(C)C ZINC000353234196 534781320 /nfs/dbraw/zinc/78/13/20/534781320.db2.gz HHIFPXUMPOHTLT-QGZVFWFLSA-N 0 1 296.414 3.674 20 0 CHADMN Cc1ccc(CN2CCC(c3ncc(C)s3)CC2)o1 ZINC000277316698 524439112 /nfs/dbraw/zinc/43/91/12/524439112.db2.gz BXFFINAMUQVMQJ-UHFFFAOYSA-N 0 1 276.405 3.733 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2cnc([C@H](C)O)s2)c1 ZINC000290473970 524462879 /nfs/dbraw/zinc/46/28/79/524462879.db2.gz UXPPDFAAERQXLE-OLZOCXBDSA-N 0 1 290.432 3.664 20 0 CHADMN C[C@@H]1CCN(Cc2cnc(-c3ccco3)s2)CCS1 ZINC000278541739 524512937 /nfs/dbraw/zinc/51/29/37/524512937.db2.gz CPNCBSHLNGLRET-LLVKDONJSA-N 0 1 294.445 3.731 20 0 CHADMN C[C@@H](CN(C)Cc1ccon1)c1cccc(Cl)c1 ZINC000275704735 524577231 /nfs/dbraw/zinc/57/72/31/524577231.db2.gz LAOQQDPQABAPAP-NSHDSACASA-N 0 1 264.756 3.564 20 0 CHADMN Cc1ccc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)o1 ZINC000079924170 524607291 /nfs/dbraw/zinc/60/72/91/524607291.db2.gz BZMXVXDFJQXXRO-SFHVURJKSA-N 0 1 299.370 3.600 20 0 CHADMN Cc1cc(CN(Cc2ccccn2)C2CC2)ccc1F ZINC000290316561 524671426 /nfs/dbraw/zinc/67/14/26/524671426.db2.gz CPVPYAXVKYODFO-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN Cc1cccc(NCCc2cccc3[nH]ccc32)n1 ZINC000336899751 524675432 /nfs/dbraw/zinc/67/54/32/524675432.db2.gz PVNUAFBWGBVCBW-UHFFFAOYSA-N 0 1 251.333 3.526 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@@H](C)c1cncs1 ZINC000128459008 524727142 /nfs/dbraw/zinc/72/71/42/524727142.db2.gz HDORGLOMACNZOI-MNOVXSKESA-N 0 1 262.378 3.564 20 0 CHADMN Cc1cc(CNCc2ccc(F)cc2F)cc(C)c1O ZINC000051016693 524761978 /nfs/dbraw/zinc/76/19/78/524761978.db2.gz FTGPPTVVYAQRES-UHFFFAOYSA-N 0 1 277.314 3.577 20 0 CHADMN Cc1cc(CN[C@@H](CC(C)C)c2ccccc2)ncn1 ZINC000271439898 524766549 /nfs/dbraw/zinc/76/65/49/524766549.db2.gz FAHMPQLODDQVQC-KRWDZBQOSA-N 0 1 269.392 3.662 20 0 CHADMN Cc1cc(CN[C@@H]2c3cccc(F)c3CC[C@H]2C)on1 ZINC000125511167 524774808 /nfs/dbraw/zinc/77/48/08/524774808.db2.gz GQWJLLLSHHZDDS-HWPZZCPQSA-N 0 1 274.339 3.535 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccncc2F)c(C)s1 ZINC000337942205 524779030 /nfs/dbraw/zinc/77/90/30/524779030.db2.gz CQNISYHOJVHYEC-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cccc3c2OCO3)c1 ZINC000040667196 524829009 /nfs/dbraw/zinc/82/90/09/524829009.db2.gz IDYNRXNLLZEVCU-CYBMUJFWSA-N 0 1 269.344 3.575 20 0 CHADMN Cc1cccc([C@@H](C)NCc2n[nH]c(C(C)(C)C)n2)c1C ZINC000293028088 524830164 /nfs/dbraw/zinc/83/01/64/524830164.db2.gz VXCPOAVIDKIXKR-CYBMUJFWSA-N 0 1 286.423 3.570 20 0 CHADMN COc1ccc(OC)c(CN[C@@H](C)c2ccsc2)c1 ZINC000061360827 524839195 /nfs/dbraw/zinc/83/91/95/524839195.db2.gz ZBXOQLCBXYNZMJ-NSHDSACASA-N 0 1 277.389 3.616 20 0 CHADMN Cc1ccc(F)cc1CN[C@H](C)c1ccncc1F ZINC000337945101 524853268 /nfs/dbraw/zinc/85/32/68/524853268.db2.gz IOFZVOZCYZCUQM-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN COc1ccncc1CNCc1ccc(C(C)(C)C)cc1 ZINC000292703086 524857221 /nfs/dbraw/zinc/85/72/21/524857221.db2.gz ODNKEDGYIUMPOF-UHFFFAOYSA-N 0 1 284.403 3.678 20 0 CHADMN COc1ccncc1CN[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000340410030 524859113 /nfs/dbraw/zinc/85/91/13/524859113.db2.gz YSCLNOUUPLEGFX-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN[C@H](CCO)c2ccccc2)o1 ZINC000265828788 524861013 /nfs/dbraw/zinc/86/10/13/524861013.db2.gz CJTVYHRMIACHFO-RRQGHBQHSA-N 0 1 285.387 3.616 20 0 CHADMN COc1cncc(CNC(C)(C)c2cccc(Cl)c2)c1 ZINC000289979265 524922689 /nfs/dbraw/zinc/92/26/89/524922689.db2.gz QKOKQGMAPUGMIX-UHFFFAOYSA-N 0 1 290.794 3.769 20 0 CHADMN COc1cncc(CN[C@@H](C)c2ccccc2SC)c1 ZINC000289431802 524923784 /nfs/dbraw/zinc/92/37/84/524923784.db2.gz NQUMIUVXCXKDPF-LBPRGKRZSA-N 0 1 288.416 3.663 20 0 CHADMN COc1ncccc1CN[C@@H](C)c1cc(C)cc(C)c1 ZINC000130304435 525061270 /nfs/dbraw/zinc/06/12/70/525061270.db2.gz REETVMCEPKXTCF-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1cc(N2CCCSCC2)c2cc(F)ccc2n1 ZINC000121484850 525066651 /nfs/dbraw/zinc/06/66/51/525066651.db2.gz WDNQRGBPZXAONM-UHFFFAOYSA-N 0 1 276.380 3.626 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1ccn(C(C)C)n1 ZINC000292904944 525071838 /nfs/dbraw/zinc/07/18/38/525071838.db2.gz DYEBGEWJYXGRMA-UHFFFAOYSA-N 0 1 271.408 3.797 20 0 CHADMN Cc1ccccc1CN(C)Cc1cccc(Cl)n1 ZINC000075589456 525129172 /nfs/dbraw/zinc/12/91/72/525129172.db2.gz TZZITKYKWQRJKK-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1ccccc1CN1CCO[C@H](c2cccs2)C1 ZINC000157455503 525147180 /nfs/dbraw/zinc/14/71/80/525147180.db2.gz PXZZXOZAPXVJJU-HNNXBMFYSA-N 0 1 273.401 3.630 20 0 CHADMN Cc1ccccc1CN[C@@H](C)c1ccc(Cl)cn1 ZINC000274939912 525168766 /nfs/dbraw/zinc/16/87/66/525168766.db2.gz SQJZWLKNZHLDKO-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1ccccc1CNCc1cc(F)c(F)c(F)c1 ZINC000062707843 525169436 /nfs/dbraw/zinc/16/94/36/525169436.db2.gz MTNAUFCNNFNHCW-UHFFFAOYSA-N 0 1 265.278 3.702 20 0 CHADMN Cc1ccc(NC(=O)c2cc3[nH]cnc3cc2F)c(C)c1 ZINC000340807779 525234936 /nfs/dbraw/zinc/23/49/36/525234936.db2.gz VHCDYBDDYVSTTR-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN C[C@@H]1C[C@@H](N[C@@H]2CCCc3c[nH]nc32)c2ccccc21 ZINC000290226741 525274163 /nfs/dbraw/zinc/27/41/63/525274163.db2.gz IJUSUANBJITTPU-HFBAOOFYSA-N 0 1 267.376 3.625 20 0 CHADMN C[C@H](NC1(Cc2ccccc2)CC1)c1cscn1 ZINC000274765424 525285924 /nfs/dbraw/zinc/28/59/24/525285924.db2.gz LCTBHDSIDQEOPK-LBPRGKRZSA-N 0 1 258.390 3.569 20 0 CHADMN C[C@H](NC1CC(F)(F)C1)c1ccc(F)cc1OC(F)F ZINC000277207975 525286886 /nfs/dbraw/zinc/28/68/86/525286886.db2.gz WHMFLDKTJROIRU-ZETCQYMHSA-N 0 1 295.251 3.875 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(F)c(C)c2)cc1O ZINC000289767559 525323110 /nfs/dbraw/zinc/32/31/10/525323110.db2.gz NHHQCWPHSDRKBI-LBPRGKRZSA-N 0 1 289.350 3.699 20 0 CHADMN COc1ccc([C@H](C)NCc2cccc(F)c2)c(OC)c1 ZINC000020473348 525324395 /nfs/dbraw/zinc/32/43/95/525324395.db2.gz BKCLJVWJJVDIFI-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN Cc1ccc(OC(F)F)c(CNCc2cnccc2C)c1 ZINC000280237261 525368688 /nfs/dbraw/zinc/36/86/88/525368688.db2.gz JUUFLCQJABWHJU-UHFFFAOYSA-N 0 1 292.329 3.590 20 0 CHADMN C[C@@H](NC1CC(F)(F)C1)c1cc(F)c(F)c(F)c1 ZINC000277207864 525394800 /nfs/dbraw/zinc/39/48/00/525394800.db2.gz WFXYHCKYQUHBNB-ZCFIWIBFSA-N 0 1 265.225 3.552 20 0 CHADMN C[C@@H](NC1(c2ccccc2)CCC1)c1cncs1 ZINC000272044976 525395819 /nfs/dbraw/zinc/39/58/19/525395819.db2.gz LXUWFZIJDHWHKM-GFCCVEGCSA-N 0 1 258.390 3.873 20 0 CHADMN COc1ccc([C@H]2CCCN2Cc2ccnn2C(C)C)cc1 ZINC000280146429 525415065 /nfs/dbraw/zinc/41/50/65/525415065.db2.gz AVDPEHNNXRJNMW-GOSISDBHSA-N 0 1 299.418 3.810 20 0 CHADMN Cc1ccccc1[C@H](NCc1nccn1C)C1CCCC1 ZINC000292013787 525430423 /nfs/dbraw/zinc/43/04/23/525430423.db2.gz BTGFNRADFKPKBJ-GOSISDBHSA-N 0 1 283.419 3.750 20 0 CHADMN Cc1ccccc1[C@H]1C[C@H](C)N(Cc2cn(C(C)C)nn2)C1 ZINC000289494212 525447155 /nfs/dbraw/zinc/44/71/55/525447155.db2.gz CTINYTUGLBRHJX-HOTGVXAUSA-N 0 1 298.434 3.545 20 0 CHADMN C[C@H](NCc1ccc2c(n1)CCCC2)c1cccs1 ZINC000278592599 525454422 /nfs/dbraw/zinc/45/44/22/525454422.db2.gz YZGOROBSALAPLJ-LBPRGKRZSA-N 0 1 272.417 3.873 20 0 CHADMN C[C@H](NCc1ccc2c(c1)OCO2)c1cc(F)cc(F)c1 ZINC000094826189 525454590 /nfs/dbraw/zinc/45/45/90/525454590.db2.gz XVJLFYWQBMLLIS-JTQLQIEISA-N 0 1 291.297 3.544 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnn(-c3ccccc3)c2)c(C)o1 ZINC000069287121 525468631 /nfs/dbraw/zinc/46/86/31/525468631.db2.gz NENGQGVXJRYKMF-CQSZACIVSA-N 0 1 295.386 3.933 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C)cc1C ZINC000271295159 525470012 /nfs/dbraw/zinc/47/00/12/525470012.db2.gz RESHXQBRFYLTFP-UHFFFAOYSA-N 0 1 279.290 3.525 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCc3c2cccc3O)c(C)o1 ZINC000044729727 525476090 /nfs/dbraw/zinc/47/60/90/525476090.db2.gz YFSGOPMGWMOWBU-BZNIZROVSA-N 0 1 271.360 3.940 20 0 CHADMN C[C@@H]1C[C@H]1[C@H](NCc1cnns1)c1ccc(Cl)cc1 ZINC000295002053 525500321 /nfs/dbraw/zinc/50/03/21/525500321.db2.gz OFQJCJIPNHTRAT-OWYVNGRQSA-N 0 1 293.823 3.678 20 0 CHADMN Cc1cccnc1CN1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000294943931 525512083 /nfs/dbraw/zinc/51/20/83/525512083.db2.gz HCYSFNIAKOWBBJ-NWDGAFQWSA-N 0 1 272.314 3.553 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2NCc1ccc(C)o1 ZINC000050198790 525523786 /nfs/dbraw/zinc/52/37/86/525523786.db2.gz VOJZHBNHFDKSLW-QGZVFWFLSA-N 0 1 271.360 3.764 20 0 CHADMN Cc1cccnc1CNCc1ccc(Br)s1 ZINC000070908080 525525479 /nfs/dbraw/zinc/52/54/79/525525479.db2.gz CCKWXMKCXPZJRF-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN C[C@@H](NCc1cccc2c1OCCCO2)c1cccs1 ZINC000036168180 525536396 /nfs/dbraw/zinc/53/63/96/525536396.db2.gz XZHHDMXGGZBACM-GFCCVEGCSA-N 0 1 289.400 3.760 20 0 CHADMN C[C@@H](NCc1n[nH]c(C(C)(C)C)n1)c1ccc(Cl)cc1 ZINC000292966552 525556410 /nfs/dbraw/zinc/55/64/10/525556410.db2.gz PRDXVGYHTIMCMO-SNVBAGLBSA-N 0 1 292.814 3.606 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccnc1Cl)[C@H](O)c1ccccc1 ZINC000290280962 525616452 /nfs/dbraw/zinc/61/64/52/525616452.db2.gz MFSORKBWTZSMRS-ZOWXZIJZSA-N 0 1 290.794 3.508 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccnc1)c1cc(F)cc(F)c1 ZINC000094826219 525617679 /nfs/dbraw/zinc/61/76/79/525617679.db2.gz CQPOLAVPGJAJJV-WDEREUQCSA-N 0 1 262.303 3.772 20 0 CHADMN C[C@@H](N[C@@H](c1cnn(C)c1)c1ccccc1)c1cccs1 ZINC000366675376 525629175 /nfs/dbraw/zinc/62/91/75/525629175.db2.gz HSQKHSWLOYFLEG-CXAGYDPISA-N 0 1 297.427 3.922 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C)[C@@H](C)c2cccs2)c1 ZINC000263801995 525630574 /nfs/dbraw/zinc/63/05/74/525630574.db2.gz LATQUKVNWHNMAW-NSHDSACASA-N 0 1 299.399 3.766 20 0 CHADMN Cc1nnc([C@@H](C)NC2CC3(C2)CCCCC3)s1 ZINC000334980712 534871019 /nfs/dbraw/zinc/87/10/19/534871019.db2.gz AUQGCKBKHMMMMF-SNVBAGLBSA-N 0 1 265.426 3.610 20 0 CHADMN Cc1ccc(SCc2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000339393778 525664957 /nfs/dbraw/zinc/66/49/57/525664957.db2.gz HCOAMPVUKWZPOU-ZDUSSCGKSA-N 0 1 291.420 3.716 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cc(C)ncn2)c(C)c1 ZINC000292168077 525688189 /nfs/dbraw/zinc/68/81/89/525688189.db2.gz LKRRESWJPAXCBK-OAHLLOKOSA-N 0 1 269.392 3.595 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CC[C@H](C)[C@H](C)C2)s1 ZINC000353538320 534880051 /nfs/dbraw/zinc/88/00/51/534880051.db2.gz GYQAZOVVRUDHFO-DTWKUNHWSA-N 0 1 292.370 3.948 20 0 CHADMN Cc1ccoc1CN[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000266208235 525806631 /nfs/dbraw/zinc/80/66/31/525806631.db2.gz NGLDFMAYENKUIG-RDJZCZTQSA-N 0 1 271.360 3.598 20 0 CHADMN Cc1ccsc1CN(C)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000338639639 525836285 /nfs/dbraw/zinc/83/62/85/525836285.db2.gz RLYDIUQJIZUWHM-UHFFFAOYSA-N 0 1 299.399 3.513 20 0 CHADMN COc1cccc(C2(N[C@H]3CCCc4occc43)CC2)c1 ZINC000278735755 525851375 /nfs/dbraw/zinc/85/13/75/525851375.db2.gz NBWFTQQFJAHNKO-INIZCTEOSA-N 0 1 283.371 3.945 20 0 CHADMN Cc1ccsc1CNCc1cccc2c1OCCCO2 ZINC000069672605 525858880 /nfs/dbraw/zinc/85/88/80/525858880.db2.gz HZQMUKVZQJJDMK-UHFFFAOYSA-N 0 1 289.400 3.508 20 0 CHADMN CS[C@H](c1nc([C@@H](N)CC(C)C)no1)c1ccccc1 ZINC000339397824 525898314 /nfs/dbraw/zinc/89/83/14/525898314.db2.gz SLSWXNKBKCYDBF-STQMWFEESA-N 0 1 291.420 3.568 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccc3c(c2)CCO3)o1 ZINC000037280771 525944062 /nfs/dbraw/zinc/94/40/62/525944062.db2.gz SACBLAKAXFTUFV-OLZOCXBDSA-N 0 1 271.360 3.935 20 0 CHADMN Cc1cnc(C(C)(C)NCc2ccc(C)cc2)s1 ZINC000080346859 525981929 /nfs/dbraw/zinc/98/19/29/525981929.db2.gz WEHMXFGEXWFUSL-UHFFFAOYSA-N 0 1 260.406 3.785 20 0 CHADMN Cc1cnc(C2CCN([C@H](C)c3ccccn3)CC2)s1 ZINC000277380468 525988542 /nfs/dbraw/zinc/98/85/42/525988542.db2.gz JQCZNRQRTKGEOB-CYBMUJFWSA-N 0 1 287.432 3.787 20 0 CHADMN Cc1c2ccccc2oc1[C@H](C)NCc1cnc(C)nc1 ZINC000339282201 525990078 /nfs/dbraw/zinc/99/00/78/525990078.db2.gz KTBRUBQIPWOZMM-LBPRGKRZSA-N 0 1 281.359 3.690 20 0 CHADMN Cc1ccc([C@H]2CCCCN2Cc2n[nH]c(C(C)C)n2)o1 ZINC000292347804 525995356 /nfs/dbraw/zinc/99/53/56/525995356.db2.gz DLZVWKQOFPHUSW-CYBMUJFWSA-N 0 1 288.395 3.557 20 0 CHADMN Cc1cn[nH]c1CN(Cc1ccco1)Cc1cccc(C)c1 ZINC000290521855 526018822 /nfs/dbraw/zinc/01/88/22/526018822.db2.gz USMMPQDXMCFQNX-UHFFFAOYSA-N 0 1 295.386 3.822 20 0 CHADMN Cc1c[nH]nc1CN[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000289547435 526033656 /nfs/dbraw/zinc/03/36/56/526033656.db2.gz PWPBJSNVLDUPCR-SNVBAGLBSA-N 0 1 283.297 3.588 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(N2CCCC2)c(Cl)c1 ZINC000289574457 526035759 /nfs/dbraw/zinc/03/57/59/526035759.db2.gz SAQOTRMVDFLEFD-UHFFFAOYSA-N 0 1 290.798 3.584 20 0 CHADMN Cc1cn[nH]c1CNc1ccccc1SC(C)C ZINC000289519895 526037950 /nfs/dbraw/zinc/03/79/50/526037950.db2.gz NSZLICRUXUKKTO-UHFFFAOYSA-N 0 1 261.394 3.831 20 0 CHADMN Cc1cnc(CNC[C@@H](C)Oc2ccccc2Cl)s1 ZINC000295725155 526040302 /nfs/dbraw/zinc/04/03/02/526040302.db2.gz NUDAQAOWCOZZOY-SNVBAGLBSA-N 0 1 296.823 3.662 20 0 CHADMN CC(C)(C)c1nc(CNCCC2(F)CCC2)cs1 ZINC000342202163 534900444 /nfs/dbraw/zinc/90/04/44/534900444.db2.gz OEZXXGIQMCESSF-UHFFFAOYSA-N 0 1 270.417 3.813 20 0 CHADMN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cnc[nH]1 ZINC000280481204 526046697 /nfs/dbraw/zinc/04/66/97/526046697.db2.gz NXVISFXGUKREPO-SECBINFHSA-N 0 1 284.190 3.910 20 0 CHADMN Cc1cc(-c2nc([C@H](N)CC(C)C)no2)ccc1Cl ZINC000339385089 526055875 /nfs/dbraw/zinc/05/58/75/526055875.db2.gz LGRJQGMGZQKNSD-GFCCVEGCSA-N 0 1 279.771 3.744 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC(c2cn[nH]c2)CC1 ZINC000364720243 526064107 /nfs/dbraw/zinc/06/41/07/526064107.db2.gz FLFIRAVAVFDXNO-LLVKDONJSA-N 0 1 291.345 3.629 20 0 CHADMN C[C@H](c1ccccc1)N(C(=O)c1cc(C2CC2)[nH]n1)C1CC1 ZINC000299417216 526085101 /nfs/dbraw/zinc/08/51/01/526085101.db2.gz GOSHRRAJPJNCAH-GFCCVEGCSA-N 0 1 295.386 3.653 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN(c4ccccn4)C3)[nH]c2c1 ZINC000290956662 526104065 /nfs/dbraw/zinc/10/40/65/526104065.db2.gz NWMUKHMBNASJEC-AWEZNQCLSA-N 0 1 292.386 3.650 20 0 CHADMN Cc1ccc2[nH]c([C@H]3CCCN3C[C@@H]3CCCCO3)nc2c1 ZINC000289389734 526107976 /nfs/dbraw/zinc/10/79/76/526107976.db2.gz QVBYSXKRQSKVHX-WMLDXEAASA-N 0 1 299.418 3.577 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C[C@@H]3CCCCO3)[nH]c2c1 ZINC000289389734 526107986 /nfs/dbraw/zinc/10/79/86/526107986.db2.gz QVBYSXKRQSKVHX-WMLDXEAASA-N 0 1 299.418 3.577 20 0 CHADMN C[C@@H](c1ccccn1)N1CC[C@](F)(c2ccccc2)C1 ZINC000374561059 526114771 /nfs/dbraw/zinc/11/47/71/526114771.db2.gz ZYWHDGGLHWDCCI-WMLDXEAASA-N 0 1 270.351 3.713 20 0 CHADMN CSc1ccccc1CN(C)Cc1ccc(CO)cc1 ZINC000280467467 526158702 /nfs/dbraw/zinc/15/87/02/526158702.db2.gz OTDRJAKCSIUMII-UHFFFAOYSA-N 0 1 287.428 3.533 20 0 CHADMN C[C@@H](c1nc(CC2CCCC2)no1)N1[C@H](C)CC[C@H]1C ZINC000340885157 526168451 /nfs/dbraw/zinc/16/84/51/526168451.db2.gz CARKKEOHPNJMNY-UPJWGTAASA-N 0 1 277.412 3.736 20 0 CHADMN Cc1ccc2nc(CN[C@@H](C)c3ccccc3C)cn2c1 ZINC000128900160 526249210 /nfs/dbraw/zinc/24/92/10/526249210.db2.gz QHNNRZJFSQOBGK-HNNXBMFYSA-N 0 1 279.387 3.802 20 0 CHADMN FC(F)c1ccnc(CNCCCC2CCCCC2)n1 ZINC000290131461 526268030 /nfs/dbraw/zinc/26/80/30/526268030.db2.gz JQOKPFYQRWHXAY-UHFFFAOYSA-N 0 1 283.366 3.864 20 0 CHADMN Fc1ccc(-c2nc(CN3CCCC3)cs2)cc1 ZINC000048419073 526315459 /nfs/dbraw/zinc/31/54/59/526315459.db2.gz DEDDQXUIHKPLCX-UHFFFAOYSA-N 0 1 262.353 3.545 20 0 CHADMN Cc1nnc(CN2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)s1 ZINC000296728490 526342226 /nfs/dbraw/zinc/34/22/26/526342226.db2.gz NXEZCRXVHHFWGO-JMSVASOKSA-N 0 1 287.432 3.613 20 0 CHADMN Oc1cccc2c1CC[C@@H]2NCc1ccc(Cl)s1 ZINC000070941063 526366542 /nfs/dbraw/zinc/36/65/42/526366542.db2.gz WRFWMLKPYMTRFM-LBPRGKRZSA-N 0 1 279.792 3.884 20 0 CHADMN c1c2ccccc2[nH]c1CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000365652857 526401317 /nfs/dbraw/zinc/40/13/17/526401317.db2.gz BXLGTWQDPCKJRN-ROUUACIJSA-N 0 1 296.414 3.701 20 0 CHADMN Fc1ccccc1[C@H]1CCN(Cc2ccncc2Cl)C1 ZINC000339376793 526418905 /nfs/dbraw/zinc/41/89/05/526418905.db2.gz LIPDAMFSRVMJTG-LBPRGKRZSA-N 0 1 290.769 3.864 20 0 CHADMN c1cc(CN(C2CC2)[C@H]2CCCc3ccccc32)on1 ZINC000264604633 526420099 /nfs/dbraw/zinc/42/00/99/526420099.db2.gz GMQFEJLZHFWAFY-KRWDZBQOSA-N 0 1 268.360 3.717 20 0 CHADMN c1cc(CN[C@H](CC2CCCC2)c2ccccc2)n[nH]1 ZINC000128906732 526428596 /nfs/dbraw/zinc/42/85/96/526428596.db2.gz VMJLSIUXGRGTFT-QGZVFWFLSA-N 0 1 269.392 3.821 20 0 CHADMN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1Cc1cncs1 ZINC000290529059 526513328 /nfs/dbraw/zinc/51/33/28/526513328.db2.gz QNELLPXFYIFACF-AWEZNQCLSA-N 0 1 290.436 3.600 20 0 CHADMN c1coc(CN(Cc2ccco2)C[C@H]2CCSC2)c1 ZINC000278527160 526565504 /nfs/dbraw/zinc/56/55/04/526565504.db2.gz ZCQWOJMRQWTVFR-CYBMUJFWSA-N 0 1 277.389 3.628 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2C[C@H](C)C[C@@H](C)C2)s1 ZINC000353539285 526681031 /nfs/dbraw/zinc/68/10/31/526681031.db2.gz LEFVOTWKMNGJHD-RKDXNWHRSA-N 0 1 292.370 3.948 20 0 CHADMN Cc1nc(C)c(CN[C@@H](C)c2ccc(Cl)cn2)s1 ZINC000274970366 526724776 /nfs/dbraw/zinc/72/47/76/526724776.db2.gz YALLLJWKQCRIDG-QMMMGPOBSA-N 0 1 281.812 3.659 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1CC[C@@H](C)C1 ZINC000261380668 526748676 /nfs/dbraw/zinc/74/86/76/526748676.db2.gz CYVXKKKGDMVYFL-SNVBAGLBSA-N 0 1 262.378 3.553 20 0 CHADMN Cc1sccc1CNCc1cc(C)cc(Cl)n1 ZINC000293170906 526915871 /nfs/dbraw/zinc/91/58/71/526915871.db2.gz GNJCQCDZZKPPFX-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN Cc1nc(F)ccc1CN(Cc1cccs1)C1CC1 ZINC000278457767 526944300 /nfs/dbraw/zinc/94/43/00/526944300.db2.gz OHGRGWOPOFLNRG-UHFFFAOYSA-N 0 1 276.380 3.755 20 0 CHADMN Clc1ccc(CN2CC[C@]3(CCOC3)C2)c(Cl)c1 ZINC000153384410 526946837 /nfs/dbraw/zinc/94/68/37/526946837.db2.gz ZUKIOQPAUWILSU-AWEZNQCLSA-N 0 1 286.202 3.606 20 0 CHADMN Clc1ccc(CNCc2ccc3c(n2)CCCC3)cc1 ZINC000277639095 526948154 /nfs/dbraw/zinc/94/81/54/526948154.db2.gz DBHNIYFQSZCYIC-UHFFFAOYSA-N 0 1 286.806 3.904 20 0 CHADMN Clc1ncc(CN2CC[C@H](c3ccccc3)C2)s1 ZINC000094194866 527009226 /nfs/dbraw/zinc/00/92/26/527009226.db2.gz PTSAJWGQZYBCDA-LBPRGKRZSA-N 0 1 278.808 3.786 20 0 CHADMN Cc1nc([C@H](C)N2CCC[C@@]3(CCSC3)C2)cs1 ZINC000334667551 527057563 /nfs/dbraw/zinc/05/75/63/527057563.db2.gz DBIFDNKZFJIKSM-SMDDNHRTSA-N 0 1 282.478 3.732 20 0 CHADMN Cc1nc([C@H](C)NCCCN(C)c2ccccc2)cs1 ZINC000036914440 527063100 /nfs/dbraw/zinc/06/31/00/527063100.db2.gz VCBCDDUNOFDSLE-ZDUSSCGKSA-N 0 1 289.448 3.629 20 0 CHADMN NC1(c2noc(-c3cccc(Cl)c3)n2)CCCCC1 ZINC000041153500 527132630 /nfs/dbraw/zinc/13/26/30/527132630.db2.gz PTVYQJYUPJKJGX-UHFFFAOYSA-N 0 1 277.755 3.508 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)C2CCC(C)(C)CC2)[nH]1 ZINC000338571285 527150689 /nfs/dbraw/zinc/15/06/89/527150689.db2.gz CVEAKGZWNRCGGZ-UHFFFAOYSA-N 0 1 299.418 3.912 20 0 CHADMN Cc1nc2ccccc2cc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000339386307 527159847 /nfs/dbraw/zinc/15/98/47/527159847.db2.gz AXMSMGVDPVKFKE-AWEZNQCLSA-N 0 1 296.374 3.639 20 0 CHADMN Cc1ncc(C(=O)N2CCC[C@H]2CCC2CCCCC2)[nH]1 ZINC000339224857 527228965 /nfs/dbraw/zinc/22/89/65/527228965.db2.gz DVANNURYDPNACI-HNNXBMFYSA-N 0 1 289.423 3.683 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cc(F)c[nH]1 ZINC000293537318 527263869 /nfs/dbraw/zinc/26/38/69/527263869.db2.gz XPGZWBIEADCIML-UHFFFAOYSA-N 0 1 298.321 3.550 20 0 CHADMN Cc1ncc(CNCc2ccc3[nH]c(C)c(C)c3c2)s1 ZINC000340426667 527273762 /nfs/dbraw/zinc/27/37/62/527273762.db2.gz CIDDNHYATXNNHD-UHFFFAOYSA-N 0 1 285.416 3.839 20 0 CHADMN Cc1ncc(CN[C@H](C)c2cccc(C(F)(F)F)c2)cn1 ZINC000339286487 527277108 /nfs/dbraw/zinc/27/71/08/527277108.db2.gz WLOKQDYERDNODE-SNVBAGLBSA-N 0 1 295.308 3.655 20 0 CHADMN Cc1ncc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000336917060 527277175 /nfs/dbraw/zinc/27/71/75/527277175.db2.gz NBQAWJZXFBNVJY-SECBINFHSA-N 0 1 296.201 3.943 20 0 CHADMN Cc1ncc(CN[C@H](C)c2ccc(C(F)(F)F)cc2)cn1 ZINC000339284955 527277213 /nfs/dbraw/zinc/27/72/13/527277213.db2.gz UQJLJGWRANNVHN-SNVBAGLBSA-N 0 1 295.308 3.655 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C2(C)CCCCCC2)c1 ZINC000332268517 527320120 /nfs/dbraw/zinc/32/01/20/527320120.db2.gz GGUCRXIWWDTSTG-UHFFFAOYSA-N 0 1 289.375 3.894 20 0 CHADMN Nc1cc(CN2CCCC[C@H]2c2ccc(F)cc2)ccn1 ZINC000299262599 527448105 /nfs/dbraw/zinc/44/81/05/527448105.db2.gz LLBPHOURNJJPCN-INIZCTEOSA-N 0 1 285.366 3.530 20 0 CHADMN Cn1ccnc1[C@@H](NCCC(C)(C)C)c1ccc(F)cc1 ZINC000276269028 527453113 /nfs/dbraw/zinc/45/31/13/527453113.db2.gz QSLDPTHJGHSRFN-HNNXBMFYSA-N 0 1 289.398 3.674 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H](c1ccccc1)C1CC1 ZINC000187720930 527455370 /nfs/dbraw/zinc/45/53/70/527455370.db2.gz MKVBKYOZNIMOPD-CXAGYDPISA-N 0 1 267.376 3.587 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H]1CCCc2ccc(F)cc21 ZINC000280894840 527457799 /nfs/dbraw/zinc/45/77/99/527457799.db2.gz FJJAFTCDIWADLK-BLLLJJGKSA-N 0 1 285.366 3.652 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1cc2ccccc2s1 ZINC000275829829 527458498 /nfs/dbraw/zinc/45/84/98/527458498.db2.gz HRHBXDQLIHCQFX-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN O=C(Nc1nc(C2CCC2)cs1)c1cccc2[nH]ncc21 ZINC000278118080 527506901 /nfs/dbraw/zinc/50/69/01/527506901.db2.gz LLVGNVUZDRAGRF-UHFFFAOYSA-N 0 1 298.371 3.539 20 0 CHADMN Cc1ncsc1CN[C@H](c1ncccc1C)C(C)C ZINC000266180723 527513419 /nfs/dbraw/zinc/51/34/19/527513419.db2.gz GDNVZBROTHYIFC-AWEZNQCLSA-N 0 1 275.421 3.642 20 0 CHADMN Cc1ncsc1CN[C@H]1CCSc2ccc(F)cc21 ZINC000088869140 527513577 /nfs/dbraw/zinc/51/35/77/527513577.db2.gz ISNPURDCQOZUBX-LBPRGKRZSA-N 0 1 294.420 3.917 20 0 CHADMN OC[C@@H](N[C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000062999182 527583979 /nfs/dbraw/zinc/58/39/79/527583979.db2.gz YBFPFVQLAUDRRE-HZPDHXFCSA-N 0 1 285.412 3.547 20 0 CHADMN Cc1nn(C(C)C)cc1CNC(C)(C)c1ccccc1F ZINC000291648509 527592041 /nfs/dbraw/zinc/59/20/41/527592041.db2.gz CMIQLIYALKAUEA-UHFFFAOYSA-N 0 1 289.398 3.936 20 0 CHADMN FC(F)(F)CCCCN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289841084 527663426 /nfs/dbraw/zinc/66/34/26/527663426.db2.gz KFARSPTXTOBNSU-NSHDSACASA-N 0 1 295.736 3.516 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000087407868 527697259 /nfs/dbraw/zinc/69/72/59/527697259.db2.gz QPUAYKOIULTNRV-SCZZXKLOSA-N 0 1 283.828 3.855 20 0 CHADMN CC(C)CC[C@@H]1CCCCN1C(=O)c1cccc2n[nH]cc21 ZINC000352244736 527815297 /nfs/dbraw/zinc/81/52/97/527815297.db2.gz XCYFTCYALFRNFH-AWEZNQCLSA-N 0 1 299.418 3.994 20 0 CHADMN CC1(C2CC2)CCN(Cc2nnc(-c3ccccc3)o2)CC1 ZINC000352200649 527904875 /nfs/dbraw/zinc/90/48/75/527904875.db2.gz MVXDXNCEGOPQQL-UHFFFAOYSA-N 0 1 297.402 3.749 20 0 CHADMN CC1(C2CC2)CCN(Cc2cc(-c3ccco3)on2)CC1 ZINC000352176997 527905696 /nfs/dbraw/zinc/90/56/96/527905696.db2.gz WXGVCNCTJTZJNJ-UHFFFAOYSA-N 0 1 286.375 3.947 20 0 CHADMN CCO[C@@H]1C[C@H](NCc2csc(C(C)C)n2)C12CCC2 ZINC000344465319 527945851 /nfs/dbraw/zinc/94/58/51/527945851.db2.gz NXEOQGVJPAPXDW-UONOGXRCSA-N 0 1 294.464 3.704 20 0 CHADMN CC(C)[C@](C)(CO)NCc1csc(C2CCCCC2)n1 ZINC000352871034 527949088 /nfs/dbraw/zinc/94/90/88/527949088.db2.gz NASTZPCTRNBIAG-INIZCTEOSA-N 0 1 296.480 3.687 20 0 CHADMN CCO[C@H]1C[C@@H](N(C)Cc2cnc(C(C)C)s2)C1(C)C ZINC000353781216 528073495 /nfs/dbraw/zinc/07/34/95/528073495.db2.gz OHMZFKSNZVKQNJ-KGLIPLIRSA-N 0 1 296.480 3.902 20 0 CHADMN CC1=C[C@H](C)C[C@@H](CN(C)Cc2cscn2)C1 ZINC000356082407 528143337 /nfs/dbraw/zinc/14/33/37/528143337.db2.gz HOWOBPRIDHSXGL-WCQYABFASA-N 0 1 250.411 3.567 20 0 CHADMN CCCN(Cc1n[nH]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000347465656 528152484 /nfs/dbraw/zinc/15/24/84/528152484.db2.gz OCHPMXXFJIVHGN-UHFFFAOYSA-N 0 1 290.798 3.752 20 0 CHADMN CC(C)c1nc(CN2C[C@H](C)CC2(C)C)cs1 ZINC000353880090 528282269 /nfs/dbraw/zinc/28/22/69/528282269.db2.gz JBGGNJIKEZYLLX-LLVKDONJSA-N 0 1 252.427 3.887 20 0 CHADMN CCOC(=O)c1coc(CN(C)[C@@H]2CCc3ccccc32)c1 ZINC000353361978 528324036 /nfs/dbraw/zinc/32/40/36/528324036.db2.gz DQVLNGDIVNWREJ-QGZVFWFLSA-N 0 1 299.370 3.576 20 0 CHADMN CC(C)c1ncc(CN2CCCO[C@@H](C(C)C)C2)s1 ZINC000354789602 528350160 /nfs/dbraw/zinc/35/01/60/528350160.db2.gz JJABXBFPKGOKAA-CQSZACIVSA-N 0 1 282.453 3.513 20 0 CHADMN CC(C)C[C@@H](NCc1ccc2cc[nH]c2n1)c1ccccn1 ZINC000353630771 528360274 /nfs/dbraw/zinc/36/02/74/528360274.db2.gz NPGIDAYUOCDNAW-QGZVFWFLSA-N 0 1 294.402 3.835 20 0 CHADMN CC(C)C[C@@H](NCc1cnn2ccccc12)c1ccccn1 ZINC000353872436 528360391 /nfs/dbraw/zinc/36/03/91/528360391.db2.gz VTOXQWRNAFSGLT-QGZVFWFLSA-N 0 1 294.402 3.606 20 0 CHADMN CC(C)[C@@H](NC1CC2(CCC2)C1)c1nc(C2CC2)no1 ZINC000333572341 528581326 /nfs/dbraw/zinc/58/13/26/528581326.db2.gz IUCICBAPCNUDIQ-CYBMUJFWSA-N 0 1 275.396 3.566 20 0 CHADMN CCCCOCCN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000344360749 528589293 /nfs/dbraw/zinc/58/92/93/528589293.db2.gz AFZCIEZSCCIKMQ-CQSZACIVSA-N 0 1 295.448 3.602 20 0 CHADMN CCOc1ccc2nc(SC[C@H]3CC[C@H](C)O3)[nH]c2c1 ZINC000352244627 528626421 /nfs/dbraw/zinc/62/64/21/528626421.db2.gz VIQNILKYMLLFCE-CMPLNLGQSA-N 0 1 292.404 3.621 20 0 CHADMN CC(C)[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)CCO1 ZINC000353163149 528749206 /nfs/dbraw/zinc/74/92/06/528749206.db2.gz MEVNSSPUFXEUED-IBGZPJMESA-N 0 1 296.414 3.605 20 0 CHADMN CC(C)N(C)CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000347210627 528809689 /nfs/dbraw/zinc/80/96/89/528809689.db2.gz XOCDKXVUZJCEMC-UHFFFAOYSA-N 0 1 296.414 3.560 20 0 CHADMN CCCC[C@@H](N[C@H](C)c1nnc(CC)o1)C1CCC1 ZINC000347925557 528859219 /nfs/dbraw/zinc/85/92/19/528859219.db2.gz YCWUTJAMJCOGAG-DGCLKSJQSA-N 0 1 265.401 3.642 20 0 CHADMN CC(C)[C@@](C)(CO)NCc1csc(C2CCCCC2)n1 ZINC000352871035 528866063 /nfs/dbraw/zinc/86/60/63/528866063.db2.gz NASTZPCTRNBIAG-MRXNPFEDSA-N 0 1 296.480 3.687 20 0 CHADMN CCN(Cc1ncc(CSC)s1)CC1CCC1 ZINC000353266719 528889926 /nfs/dbraw/zinc/88/99/26/528889926.db2.gz KPCICWYBBQCWPU-UHFFFAOYSA-N 0 1 270.467 3.628 20 0 CHADMN CC1(C)CCC(c2nc(C3(N)CCCCC3)no2)CC1 ZINC000331689028 528909019 /nfs/dbraw/zinc/90/90/19/528909019.db2.gz SEAZZOMRFSMJRF-UHFFFAOYSA-N 0 1 277.412 3.872 20 0 CHADMN CC(C)N(Cc1c(F)ccc(O)c1F)CC1CCC1 ZINC000353241266 528935548 /nfs/dbraw/zinc/93/55/48/528935548.db2.gz YLPFFDPLARTZHX-UHFFFAOYSA-N 0 1 269.335 3.681 20 0 CHADMN CCC1(CC)CCN(Cc2nccn2Cc2ccccc2)C1 ZINC000353608308 529057613 /nfs/dbraw/zinc/05/76/13/529057613.db2.gz FKVWGCPGXFAIBD-UHFFFAOYSA-N 0 1 297.446 3.944 20 0 CHADMN CC[C@@H](NCc1nc2ccc(C)cc2[nH]1)c1ccc(F)cn1 ZINC000352789509 529189968 /nfs/dbraw/zinc/18/99/68/529189968.db2.gz OJSOKALJVVCFSD-CYBMUJFWSA-N 0 1 298.365 3.646 20 0 CHADMN CC[C@@H](C)CN1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000347305621 529320089 /nfs/dbraw/zinc/32/00/89/529320089.db2.gz LXTFMEDRMROZGP-TZMCWYRMSA-N 0 1 277.412 3.910 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1Cc1cncc(F)c1 ZINC000347221063 529330393 /nfs/dbraw/zinc/33/03/93/529330393.db2.gz DTINCDNXCZTZSX-KRWDZBQOSA-N 0 1 270.351 3.558 20 0 CHADMN CC[C@@H](C)N(CCO)Cc1nc(C2CCCCC2)cs1 ZINC000347447064 529347872 /nfs/dbraw/zinc/34/78/72/529347872.db2.gz AZPZUJUHKJDPBW-CYBMUJFWSA-N 0 1 296.480 3.784 20 0 CHADMN COc1ccc(Cl)cc1CN1CCC2(CCC2)C1 ZINC000353670920 536557086 /nfs/dbraw/zinc/55/70/86/536557086.db2.gz BOJRHQVNQMDLOV-UHFFFAOYSA-N 0 1 265.784 3.725 20 0 CHADMN Cc1cccc(CN(Cc2ccco2)C[C@H](O)C(C)C)c1 ZINC000036098646 566993433 /nfs/dbraw/zinc/99/34/33/566993433.db2.gz KAAPBYORLGYFON-SFHVURJKSA-N 0 1 287.403 3.607 20 0 CHADMN Brc1ccccc1CNCc1ccsc1 ZINC000042419169 567891522 /nfs/dbraw/zinc/89/15/22/567891522.db2.gz COGCBSMSOZDSTB-UHFFFAOYSA-N 0 1 282.206 3.800 20 0 CHADMN Cc1cc(C[N@@H+](CC2CC2)C2CCCCC2)oc1C(=O)[O-] ZINC000580838694 599772551 /nfs/dbraw/zinc/77/25/51/599772551.db2.gz RNRAHALAUKZYIV-UHFFFAOYSA-N 0 1 291.391 3.831 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000062015216 599847481 /nfs/dbraw/zinc/84/74/81/599847481.db2.gz PGDOSGAYPIKGOE-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000062015216 599847482 /nfs/dbraw/zinc/84/74/82/599847482.db2.gz PGDOSGAYPIKGOE-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN Cc1cc(C)cc(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000230060544 599779878 /nfs/dbraw/zinc/77/98/78/599779878.db2.gz FKBNUZWWVIIHIA-ULQDDVLXSA-N 0 1 287.403 3.521 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000519545029 600404358 /nfs/dbraw/zinc/40/43/58/600404358.db2.gz KFBGLQWJVOOHGJ-WMLDXEAASA-N 0 1 283.371 3.548 20 0 CHADMN CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000736392968 600540961 /nfs/dbraw/zinc/54/09/61/600540961.db2.gz XSQGEKUTBZQWBH-INIZCTEOSA-N 0 1 287.359 3.807 20 0 CHADMN C[N@@H+](Cc1cccc(Cl)c1)Cc1ccccc1C(=O)[O-] ZINC000048877673 600555914 /nfs/dbraw/zinc/55/59/14/600555914.db2.gz RDXUQMLSONPUDL-UHFFFAOYSA-N 0 1 289.762 3.670 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC000828289722 600862520 /nfs/dbraw/zinc/86/25/20/600862520.db2.gz LRGBYJICJHOYHT-XJKSGUPXSA-N 0 1 299.370 3.951 20 0 CHADMN Cc1ccc([C@@H]2CCCC[N@H+]2Cc2occc2C(=O)[O-])o1 ZINC000738584183 600968664 /nfs/dbraw/zinc/96/86/64/600968664.db2.gz UZJOUMSQYGOGNO-ZDUSSCGKSA-N 0 1 289.331 3.606 20 0 CHADMN C/C(=C\C[N@H+](C)C1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000825729615 601179847 /nfs/dbraw/zinc/17/98/47/601179847.db2.gz IHELVRPQFUSWDR-ACCUITESSA-N 0 1 293.366 3.719 20 0 CHADMN Cc1cc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccccc2)oc1C(=O)[O-] ZINC000832882956 601183386 /nfs/dbraw/zinc/18/33/86/601183386.db2.gz OFEFTUNXCHMKSC-INIZCTEOSA-N 0 1 299.370 3.869 20 0 CHADMN Cc1cc(C[N@H+]2CC(C)(C)[C@@H]2c2ccccc2)oc1C(=O)[O-] ZINC000832882956 601183387 /nfs/dbraw/zinc/18/33/87/601183387.db2.gz OFEFTUNXCHMKSC-INIZCTEOSA-N 0 1 299.370 3.869 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000086754469 601379690 /nfs/dbraw/zinc/37/96/90/601379690.db2.gz OUVPDWGUJSQBQS-UHFFFAOYSA-N 0 1 283.371 3.573 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000830362489 601423021 /nfs/dbraw/zinc/42/30/21/601423021.db2.gz ALVPVLUREARNMP-SJCJKPOMSA-N 0 1 299.370 3.733 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000572848634 601826859 /nfs/dbraw/zinc/82/68/59/601826859.db2.gz SSLINVBGLSUQEZ-MRXNPFEDSA-N 0 1 291.416 3.769 20 0 CHADMN C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC000652383080 601938364 /nfs/dbraw/zinc/93/83/64/601938364.db2.gz VITRPBYSHIOHOR-SNVBAGLBSA-N 0 1 293.363 3.778 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC3(C2)CCCCC3)s1 ZINC000311539015 601959245 /nfs/dbraw/zinc/95/92/45/601959245.db2.gz IGCNSRISJGSUQU-UHFFFAOYSA-N 0 1 279.405 3.603 20 0 CHADMN Cc1ccc(C)c([C@H]2CCC[N@H+]2Cc2occc2C(=O)[O-])c1 ZINC000567619883 602330165 /nfs/dbraw/zinc/33/01/65/602330165.db2.gz HWQMHZLAIWKMQZ-MRXNPFEDSA-N 0 1 299.370 3.932 20 0 CHADMN Cc1ccccc1[C@H](C)[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000832976741 604473855 /nfs/dbraw/zinc/47/38/55/604473855.db2.gz BBDOGEJDZLNBLT-ZDUSSCGKSA-N 0 1 281.355 3.770 20 0 CHADMN C/C(=C/c1ccccc1)C[N@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000833385523 604525149 /nfs/dbraw/zinc/52/51/49/604525149.db2.gz HBMHHFHCRWXVMQ-LCYFTJDESA-N 0 1 299.370 3.822 20 0 CHADMN CC(C)[N@H+](C/C=C\c1ccc(Cl)cc1)CCC(=O)[O-] ZINC000652478710 604644162 /nfs/dbraw/zinc/64/41/62/604644162.db2.gz SMHMLTXNGZSRJP-ARJAWSKDSA-N 0 1 281.783 3.538 20 0 CHADMN CCc1ccc(C[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000833669854 604645440 /nfs/dbraw/zinc/64/54/40/604645440.db2.gz HHHCWPAPBWLHLP-HNNXBMFYSA-N 0 1 289.400 3.568 20 0 CHADMN CC(C)(C)C1=CC[N@@H+](Cc2ccsc2C(=O)[O-])CC1 ZINC000382532680 604769226 /nfs/dbraw/zinc/76/92/26/604769226.db2.gz MBICHOMDFVBULD-UHFFFAOYSA-N 0 1 279.405 3.625 20 0 CHADMN C[C@H](c1ccccc1F)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135049452 604936399 /nfs/dbraw/zinc/93/63/99/604936399.db2.gz WRRMKDVFQWPTKA-OLZOCXBDSA-N 0 1 293.382 3.710 20 0 CHADMN C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3ccc(C(=O)[O-])c(F)c3)C2)C1 ZINC000570827274 605139793 /nfs/dbraw/zinc/13/97/93/605139793.db2.gz OMTPXDINFBRUBG-SJKOYZFVSA-N 0 1 291.366 3.536 20 0 CHADMN O=C([O-])Nc1cccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000834269506 605436090 /nfs/dbraw/zinc/43/60/90/605436090.db2.gz WJCOQDXSKYNPQX-MRXNPFEDSA-N 0 1 297.358 3.509 20 0 CHADMN CCC(CC)C[N@@H+](CC)CCOc1ccccc1C(=O)[O-] ZINC000048970687 948907012 /nfs/dbraw/zinc/90/70/12/948907012.db2.gz QXOUZGAGIPTLGE-UHFFFAOYSA-N 0 1 293.407 3.522 20 0 CHADMN C[C@@H](c1ccccc1F)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000062015315 948948736 /nfs/dbraw/zinc/94/87/36/948948736.db2.gz RQUAWPOBAFPALJ-LBPRGKRZSA-N 0 1 287.334 3.717 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@@H+](C)CCCC(=O)[O-])cc1 ZINC000082250010 949017486 /nfs/dbraw/zinc/01/74/86/949017486.db2.gz HSKLWRZYOJRXKP-ZDUSSCGKSA-N 0 1 263.381 3.668 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000086784299 949064916 /nfs/dbraw/zinc/06/49/16/949064916.db2.gz LCSQLEBPWZMEDY-KRWDZBQOSA-N 0 1 287.359 3.510 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000086783893 949065127 /nfs/dbraw/zinc/06/51/27/949065127.db2.gz CWGRJJCUJFGKLL-ZBEGNZNMSA-N 0 1 297.345 3.603 20 0 CHADMN CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000086780134 949065897 /nfs/dbraw/zinc/06/58/97/949065897.db2.gz MZJSYVKUZDQOCD-CXAGYDPISA-N 0 1 275.392 3.668 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC000125373348 949256663 /nfs/dbraw/zinc/25/66/63/949256663.db2.gz YVBFHPMBZXFRFZ-HNNXBMFYSA-N 0 1 267.413 3.676 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000127965104 949273052 /nfs/dbraw/zinc/27/30/52/949273052.db2.gz WQICFJFDKCWYOE-IAQYHMDHSA-N 0 1 293.794 3.514 20 0 CHADMN O=C([O-])c1ccc(CNc2ccc(C3CCC3)c[nH+]2)s1 ZINC001595232694 949364487 /nfs/dbraw/zinc/36/44/87/949364487.db2.gz XIHRILBJTGJNKL-UHFFFAOYSA-N 0 1 288.372 3.721 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cc(F)cc(F)c1F ZINC001137872529 1131426738 /nfs/dbraw/zinc/42/67/38/1131426738.db2.gz UJLXHNQRQSPZHR-SNVBAGLBSA-N 0 1 257.299 3.868 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000251179435 950012758 /nfs/dbraw/zinc/01/27/58/950012758.db2.gz CWGRJJCUJFGKLL-BZNIZROVSA-N 0 1 297.345 3.603 20 0 CHADMN CCN(CC)c1ccc(CN[C@@H](C)c2ccc(C)o2)cn1 ZINC000126891044 1125457099 /nfs/dbraw/zinc/45/70/99/1125457099.db2.gz PAJOXFVDMBRXQZ-AWEZNQCLSA-N 0 1 287.407 3.680 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000382111557 971799555 /nfs/dbraw/zinc/79/95/55/971799555.db2.gz KYWWLNJGXSUXEW-UTUOFQBUSA-N 0 1 295.810 3.905 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001589279623 953483749 /nfs/dbraw/zinc/48/37/49/953483749.db2.gz PBUYPPGFHURAFV-OUAUKWLOSA-N 0 1 299.773 3.583 20 0 CHADMN O=C([O-])C[N@@H+](C1CC1)[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000430680381 953500154 /nfs/dbraw/zinc/50/01/54/953500154.db2.gz SGLHUXGFKVGSDG-JKSUJKDBSA-N 0 1 279.424 3.675 20 0 CHADMN C[N@@H+](CCCC(=O)[O-])CCCc1cccc2ccccc21 ZINC000430665575 953501920 /nfs/dbraw/zinc/50/19/20/953501920.db2.gz RCARHUGHERGMMM-UHFFFAOYSA-N 0 1 285.387 3.569 20 0 CHADMN C[C@H]1C[C@H](CC[N@H+]2CCC[C@@H](CC(=O)[O-])C2)C[C@@H](C)C1 ZINC000532881979 953568798 /nfs/dbraw/zinc/56/87/98/953568798.db2.gz SCOUXGHSUODCLJ-JJXSEGSLSA-N 0 1 281.440 3.636 20 0 CHADMN O=C([O-])CCC[N@H+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC000578590304 953703160 /nfs/dbraw/zinc/70/31/60/953703160.db2.gz YEVNLTJATWLLMR-QGZVFWFLSA-N 0 1 289.419 3.586 20 0 CHADMN CSc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)s1 ZINC000871621631 956047590 /nfs/dbraw/zinc/04/75/90/956047590.db2.gz KBNPUTAZWDSMFX-NSHDSACASA-N 0 1 299.461 3.547 20 0 CHADMN Cc1oncc1CN1CCC(c2nc3ccccc3o2)CC1 ZINC000128251000 1125466191 /nfs/dbraw/zinc/46/61/91/1125466191.db2.gz ITHKNDJVOQUWOH-UHFFFAOYSA-N 0 1 297.358 3.504 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000903401365 956832185 /nfs/dbraw/zinc/83/21/85/956832185.db2.gz KMCBSXFYNURASQ-OAHLLOKOSA-N 0 1 289.419 3.572 20 0 CHADMN CC(C)[N@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccccc1F ZINC000000321229 956860011 /nfs/dbraw/zinc/86/00/11/956860011.db2.gz MTRFXWNSUMKQEB-UHFFFAOYSA-N 0 1 291.322 3.528 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccccc1F ZINC000000321229 956860022 /nfs/dbraw/zinc/86/00/22/956860022.db2.gz MTRFXWNSUMKQEB-UHFFFAOYSA-N 0 1 291.322 3.528 20 0 CHADMN Cc1ccc(C[C@H](C)[N@@H+](C)CCC2(C(=O)[O-])CCC2)cc1 ZINC000903696631 956883244 /nfs/dbraw/zinc/88/32/44/956883244.db2.gz ZAVIUANSPVDKTB-HNNXBMFYSA-N 0 1 289.419 3.503 20 0 CHADMN CCN(Cc1noc(-c2ccsc2)n1)[C@@H](C)C(C)C ZINC000128460294 1125466895 /nfs/dbraw/zinc/46/68/95/1125466895.db2.gz WSGBPEJHQLLYHI-NSHDSACASA-N 0 1 279.409 3.665 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CCCc2ccccc2C)C1 ZINC000923469003 957116722 /nfs/dbraw/zinc/11/67/22/957116722.db2.gz CFAYFAWMZNYZLT-SFHVURJKSA-N 0 1 289.419 3.504 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(C(=O)[O-])cc2)Cc2ccccc21 ZINC001204156447 957249485 /nfs/dbraw/zinc/24/94/85/957249485.db2.gz CMVSTYYHUPKXMN-UHFFFAOYSA-N 0 1 295.382 3.678 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCCC(=O)[O-] ZINC000062015115 957597260 /nfs/dbraw/zinc/59/72/60/957597260.db2.gz SGWPZTFHIPOCTP-NSHDSACASA-N 0 1 269.772 3.588 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000086725216 957976302 /nfs/dbraw/zinc/97/63/02/957976302.db2.gz XWXOSRAKUBBWHH-KRWDZBQOSA-N 0 1 283.371 3.968 20 0 CHADMN CC(C)CC[N@@H+](Cc1occc1C(=O)[O-])C1CCCC1 ZINC000094849740 958316480 /nfs/dbraw/zinc/31/64/80/958316480.db2.gz AWZRQDXVSXRIRO-UHFFFAOYSA-N 0 1 279.380 3.769 20 0 CHADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC1CCC(C(C)(C)C)CC1 ZINC000130304874 958728628 /nfs/dbraw/zinc/72/86/28/958728628.db2.gz WVSSQMXNPKXDDE-PPWQZUPISA-N 0 1 281.440 3.634 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2cnoc2C)o1 ZINC000128757371 1125468837 /nfs/dbraw/zinc/46/88/37/1125468837.db2.gz PBHCVHXXVGYOJL-ABAIWWIYSA-N 0 1 274.364 3.858 20 0 CHADMN Cc1[nH+]c(N[C@H]2CCCc3sccc32)ccc1C(=O)[O-] ZINC000147536187 959003630 /nfs/dbraw/zinc/00/36/30/959003630.db2.gz GOYSFPJJONRNMK-LBPRGKRZSA-N 0 1 288.372 3.639 20 0 CHADMN Cc1c(C)c(C)c(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c(C)c1C ZINC001594259379 959681483 /nfs/dbraw/zinc/68/14/83/959681483.db2.gz NGDSQECRMRWXFD-BMLIUANNSA-N 0 1 289.419 3.666 20 0 CHADMN CCn1nccc1CN1CCCCC[C@H]1c1ccc(C)o1 ZINC000129040540 1125471719 /nfs/dbraw/zinc/47/17/19/1125471719.db2.gz FPQCJFBSLKNCGO-INIZCTEOSA-N 0 1 287.407 3.922 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227829658 959970375 /nfs/dbraw/zinc/97/03/75/959970375.db2.gz LOUAMMPKRSGNMP-ZBFHGGJFSA-N 0 1 295.810 3.978 20 0 CHADMN C[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(C(=O)[O-])ccc1F ZINC001231456016 960605224 /nfs/dbraw/zinc/60/52/24/960605224.db2.gz HMTCYTBMEQNQHY-LBPRGKRZSA-N 0 1 299.345 3.643 20 0 CHADMN Cc1ccc(-c2noc(CN3CC[C@H](C)[C@H](C)C3)n2)cc1 ZINC000536591192 1125479251 /nfs/dbraw/zinc/47/92/51/1125479251.db2.gz AYRHKXPSJJSTFM-UONOGXRCSA-N 0 1 285.391 3.523 20 0 CHADMN Cc1oc(C[N@H+](C)C[C@@H]2C(C)=CCC[C@H]2C)cc1C(=O)[O-] ZINC001339119267 962003422 /nfs/dbraw/zinc/00/34/22/962003422.db2.gz WSEWFIADQPSXRE-MLGOLLRUSA-N 0 1 291.391 3.710 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111319095 1125481934 /nfs/dbraw/zinc/48/19/34/1125481934.db2.gz APEDLSFWHFKKJQ-KYTZWMPUSA-N 0 1 283.774 3.528 20 0 CHADMN CC(C)[C@]1(CO)CCCN(Cc2sccc2Cl)C1 ZINC000339700435 1117960909 /nfs/dbraw/zinc/96/09/09/1117960909.db2.gz KFGJDGALGUSKMY-CQSZACIVSA-N 0 1 287.856 3.632 20 0 CHADMN COc1c(CN2[C@@H](C)CCC[C@@H]2C)ccc(F)c1F ZINC001238472864 1117972249 /nfs/dbraw/zinc/97/22/49/1117972249.db2.gz CFVMSFICPPKFAE-QWRGUYRKSA-N 0 1 269.335 3.736 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cs1 ZINC001353935982 962685112 /nfs/dbraw/zinc/68/51/12/962685112.db2.gz RCSOZHJSTUFNIE-KKUMJFAQSA-N 0 1 293.432 3.522 20 0 CHADMN CCC[C@H](C)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001549225224 962960418 /nfs/dbraw/zinc/96/04/18/962960418.db2.gz NJWCYBSNGOQDPI-TUKIKUTGSA-N 0 1 295.810 3.629 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@@H+]([C@H]1C=CCCCCC1)C2 ZINC000312240872 963546627 /nfs/dbraw/zinc/54/66/27/963546627.db2.gz PVRLZONCUWBQSX-INIZCTEOSA-N 0 1 271.360 3.589 20 0 CHADMN O=C([O-])[C@H]1C[N@@H+](CCC2=CCCCC2)Cc2ccccc21 ZINC000384761324 968123763 /nfs/dbraw/zinc/12/37/63/968123763.db2.gz AJADWIYPQFUELO-KRWDZBQOSA-N 0 1 285.387 3.561 20 0 CHADMN O=C([O-])[C@H]1CCC[N@@H+](Cc2cccc(C3CCCC3)c2)C1 ZINC000635323566 968543879 /nfs/dbraw/zinc/54/38/79/968543879.db2.gz VWJRCDCULBPVGM-KRWDZBQOSA-N 0 1 287.403 3.641 20 0 CHADMN C[C@H](C[N@H+]1CCCC[C@@H]1CCC(=O)[O-])c1ccc(F)cc1 ZINC000901999069 969505038 /nfs/dbraw/zinc/50/50/38/969505038.db2.gz XEKOVNZPEDFABP-CZUORRHYSA-N 0 1 293.382 3.649 20 0 CHADMN CC[C@@H](C)[C@@H](C)[N@@H+](CCC1(C(=O)[O-])CCC1)C1CC1 ZINC000903696598 969590867 /nfs/dbraw/zinc/59/08/67/969590867.db2.gz YECXHNWLAOSNGJ-CHWSQXEVSA-N 0 1 267.413 3.530 20 0 CHADMN C[C@@H](C1CCCCC1)[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC000903700295 969592389 /nfs/dbraw/zinc/59/23/89/969592389.db2.gz AMJOLVLKCIVJSX-ZDUSSCGKSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@]1(c2ccccc2)CCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903708274 969594791 /nfs/dbraw/zinc/59/47/91/969594791.db2.gz ZWZDJGXIFIBQPT-KRWDZBQOSA-N 0 1 287.403 3.643 20 0 CHADMN CCc1ccc(C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)cc1 ZINC000317903705 970396212 /nfs/dbraw/zinc/39/62/12/970396212.db2.gz XYCRWARTOWAHDC-UHFFFAOYSA-N 0 1 295.382 3.506 20 0 CHADMN CC(C)C1CCC(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)CC1 ZINC000394215370 972685279 /nfs/dbraw/zinc/68/52/79/972685279.db2.gz BJAIMNKDNRZLSE-DQPZFDDXSA-N 0 1 281.440 3.636 20 0 CHADMN CC(C)(CCNc1ccc([NH+]2CCCCC2)cc1)C(=O)[O-] ZINC000395658584 972819486 /nfs/dbraw/zinc/81/94/86/972819486.db2.gz WAOBGDGVHQNWOW-UHFFFAOYSA-N 0 1 290.407 3.590 20 0 CHADMN Cc1cc2cc(C[NH2+]Cc3cc(C(=O)[O-])co3)oc2cc1C ZINC000426713793 974045309 /nfs/dbraw/zinc/04/53/09/974045309.db2.gz KCYGBRVSHJVKES-UHFFFAOYSA-N 0 1 299.326 3.631 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000514791135 974292929 /nfs/dbraw/zinc/29/29/29/974292929.db2.gz GANUDSOQJOZXNV-CQSZACIVSA-N 0 1 277.364 3.523 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000519600061 974330594 /nfs/dbraw/zinc/33/05/94/974330594.db2.gz FCWGIEQAHZPEGG-LSDHHAIUSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)[N@@H+](Cc1cccc(C(=O)[O-])c1Cl)C1CCC1 ZINC000519820661 974336045 /nfs/dbraw/zinc/33/60/45/974336045.db2.gz ARJQIMLCJLLOSU-UHFFFAOYSA-N 0 1 281.783 3.801 20 0 CHADMN CC(C)C[N@@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)C(C)C ZINC000564802517 974554288 /nfs/dbraw/zinc/55/42/88/974554288.db2.gz LFAULWOIXVFDMQ-UHFFFAOYSA-N 0 1 283.799 3.905 20 0 CHADMN C[N@@H+](CC1CCCC1)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000566358726 974607708 /nfs/dbraw/zinc/60/77/08/974607708.db2.gz LIABHVVSBZJRKE-AWEZNQCLSA-N 0 1 281.783 3.588 20 0 CHADMN CCC[N@@H+](CC)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000566359156 974608762 /nfs/dbraw/zinc/60/87/62/974608762.db2.gz RDBCZKZCAQATLL-LBPRGKRZSA-N 0 1 289.297 3.563 20 0 CHADMN Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000566683330 974619994 /nfs/dbraw/zinc/61/99/94/974619994.db2.gz ACSXNMIIPVTGAQ-HNNXBMFYSA-N 0 1 285.343 3.623 20 0 CHADMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000570220551 974707979 /nfs/dbraw/zinc/70/79/79/974707979.db2.gz VIVSJKJCSNJBQO-PWSUYJOCSA-N 0 1 281.783 3.801 20 0 CHADMN CC(C)C[C@H]1CCCCC[N@H+]1Cc1nc(C(=O)[O-])cs1 ZINC000572047942 974740841 /nfs/dbraw/zinc/74/08/41/974740841.db2.gz DRBNWJZBRGUYME-GFCCVEGCSA-N 0 1 296.436 3.632 20 0 CHADMN CCC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2C)C1 ZINC000572127750 974741891 /nfs/dbraw/zinc/74/18/91/974741891.db2.gz RJEPXDZQOONBQS-HOCLYGCPSA-N 0 1 275.392 3.633 20 0 CHADMN CC[C@@]1(C)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000572609217 974750910 /nfs/dbraw/zinc/75/09/10/974750910.db2.gz GKSTWDGZTLWXEV-INIZCTEOSA-N 0 1 279.355 3.536 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000580084822 974888443 /nfs/dbraw/zinc/88/84/43/974888443.db2.gz ARVVXQALBZEGBP-KGLIPLIRSA-N 0 1 269.429 3.634 20 0 CHADMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000580085463 974888520 /nfs/dbraw/zinc/88/85/20/974888520.db2.gz TYISVIBOHKTYAO-MNOVXSKESA-N 0 1 281.783 3.659 20 0 CHADMN Cc1oc(C[N@H+](C)[C@H](C)c2cccc(F)c2)cc1C(=O)[O-] ZINC000580202183 974890421 /nfs/dbraw/zinc/89/04/21/974890421.db2.gz VVYZDKWEHPTBKL-SNVBAGLBSA-N 0 1 291.322 3.618 20 0 CHADMN C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000580336537 974892900 /nfs/dbraw/zinc/89/29/00/974892900.db2.gz REUDVZPAMLTPKE-NWDGAFQWSA-N 0 1 279.355 3.534 20 0 CHADMN Cc1ccc(C)c([C@@H](C)[N@@H+](C)Cc2occc2C(=O)[O-])c1 ZINC000582365976 974925050 /nfs/dbraw/zinc/92/50/50/974925050.db2.gz UNMSDJTXVITJKV-CYBMUJFWSA-N 0 1 287.359 3.788 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@](C)(CC)C1 ZINC000583999446 974949041 /nfs/dbraw/zinc/94/90/41/974949041.db2.gz JTNKPZPHIHSNGL-INIZCTEOSA-N 0 1 279.380 3.552 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](CCC)Cc1ccc(OC)cc1 ZINC000629371483 975087427 /nfs/dbraw/zinc/08/74/27/975087427.db2.gz GIBFXAZWOIDBNC-INIZCTEOSA-N 0 1 293.407 3.551 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccsc2C(=O)[O-])C1 ZINC000629375917 975089836 /nfs/dbraw/zinc/08/98/36/975089836.db2.gz PHASPQIIMZYBQP-ZZKXABKFSA-N 0 1 279.405 3.625 20 0 CHADMN O=C([O-])c1occc1C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000652399067 975522964 /nfs/dbraw/zinc/52/29/64/975522964.db2.gz PJAYIIWZIYIWEC-MRXNPFEDSA-N 0 1 297.354 3.630 20 0 CHADMN C[C@@H]1CCC[C@@H](CC[N@@H+](CC(=O)[O-])C2CCCCC2)C1 ZINC000652481982 975549819 /nfs/dbraw/zinc/54/98/19/975549819.db2.gz HPTZOWRVLKEEMX-CABCVRRESA-N 0 1 281.440 3.922 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2CC2CCCC2)cc1 ZINC000655937220 975638351 /nfs/dbraw/zinc/63/83/51/975638351.db2.gz WQIHRFBCBLYEAT-KRWDZBQOSA-N 0 1 287.403 3.930 20 0 CHADMN Cc1oc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)cc1C(=O)[O-] ZINC000656761576 975688624 /nfs/dbraw/zinc/68/86/24/975688624.db2.gz RSWZENDTAMOWPL-CQSZACIVSA-N 0 1 291.391 3.688 20 0 CHADMN O=C([O-])[C@]12C[N@@H+](CC/C=C\c3ccccc3)C[C@H]1CCCC2 ZINC000659800434 975891848 /nfs/dbraw/zinc/89/18/48/975891848.db2.gz ZFYULQORXAWWHT-LDHAIWNLSA-N 0 1 299.414 3.667 20 0 CHADMN CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000659803589 975894159 /nfs/dbraw/zinc/89/41/59/975894159.db2.gz KGKMZXVQFWPSMX-SMDDNHRTSA-N 0 1 279.355 3.677 20 0 CHADMN CC(C)c1[nH]c(C[N@@H+]2CC[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC001591912881 976352526 /nfs/dbraw/zinc/35/25/26/976352526.db2.gz USMZREIPOCGPCS-INIZCTEOSA-N 0 1 298.386 3.783 20 0 CHADMN CC(C)c1[nH]c(C[N@H+]2CC[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC001591912881 976352535 /nfs/dbraw/zinc/35/25/35/976352535.db2.gz USMZREIPOCGPCS-INIZCTEOSA-N 0 1 298.386 3.783 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701563637 977024599 /nfs/dbraw/zinc/02/45/99/977024599.db2.gz PLTBRWGYFQHVTM-FFSVYQOJSA-N 0 1 293.794 3.588 20 0 CHADMN CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)c(C(=O)[O-])c2)C1 ZINC000701827677 977046675 /nfs/dbraw/zinc/04/66/75/977046675.db2.gz RMIWSAYDVNGKGJ-ZIAGYGMSSA-N 0 1 275.392 3.704 20 0 CHADMN CC(C)C[C@H](C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000765581833 1118175141 /nfs/dbraw/zinc/17/51/41/1118175141.db2.gz UKGXRFIZSHHAKK-LBPRGKRZSA-N 0 1 280.387 3.508 20 0 CHADMN CC[C@@H](N[C@@H](C)c1c[nH]nc1C)c1ccccc1F ZINC000655795678 1118214620 /nfs/dbraw/zinc/21/46/20/1118214620.db2.gz FALNYEQDHBXUAR-ZUZCIYMTSA-N 0 1 261.344 3.659 20 0 CHADMN O=C([O-])c1ccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)o1 ZINC000756285690 978697176 /nfs/dbraw/zinc/69/71/76/978697176.db2.gz MXULILXEWGJWFN-UHFFFAOYSA-N 0 1 297.310 3.528 20 0 CHADMN Cc1ccc([C@H](N[C@@H]2CCC[C@H]2F)C2CCC2)o1 ZINC000340524163 1118315813 /nfs/dbraw/zinc/31/58/13/1118315813.db2.gz KNGIPDSFIPSKTK-UMVBOHGHSA-N 0 1 251.345 3.909 20 0 CHADMN Cc1c(F)cccc1CN1CCc2ccsc2C1 ZINC001204513221 1118329480 /nfs/dbraw/zinc/32/94/80/1118329480.db2.gz VNYBRMQBZUQWNF-UHFFFAOYSA-N 0 1 261.365 3.754 20 0 CHADMN CCCN(Cc1c(C)noc1C)Cc1ccccc1 ZINC000042977324 1118343111 /nfs/dbraw/zinc/34/31/11/1118343111.db2.gz VZUNJSRHLIZYKR-UHFFFAOYSA-N 0 1 258.365 3.704 20 0 CHADMN Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccccc2CC(=O)[O-])cc1 ZINC000846238821 979418507 /nfs/dbraw/zinc/41/85/07/979418507.db2.gz NMNOWVBUNNAGID-OAHLLOKOSA-N 0 1 297.398 3.815 20 0 CHADMN C/C(=C\C[N@H+]1CCCCC[C@@H]1c1cccc(C)c1)C(=O)[O-] ZINC000846249436 979424414 /nfs/dbraw/zinc/42/44/14/979424414.db2.gz OVRSKWODCPHLCR-IUYQLWOBSA-N 0 1 287.403 3.943 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1ccccc1CC(=O)[O-] ZINC000846255736 979428247 /nfs/dbraw/zinc/42/82/47/979428247.db2.gz QSQUZIKFYIHRIF-WMLDXEAASA-N 0 1 289.419 3.714 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@H+]2CCC[C@@H]2CC(=O)[O-])c1 ZINC000872161045 980048862 /nfs/dbraw/zinc/04/88/62/980048862.db2.gz QZRIPMLCFDYXLF-MRXNPFEDSA-N 0 1 297.398 3.896 20 0 CHADMN C[C@@H](C[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1)C(C)(C)C ZINC000872161643 980051318 /nfs/dbraw/zinc/05/13/18/980051318.db2.gz WQBKCZVOPJAAPZ-NSHDSACASA-N 0 1 293.382 3.564 20 0 CHADMN CC(C)c1nsc(CN2[C@H](C)C[C@@H]3CCCC[C@@H]32)n1 ZINC001167433794 1118501681 /nfs/dbraw/zinc/50/16/81/1118501681.db2.gz MCHGRINHIARYAR-AGIUHOORSA-N 0 1 279.453 3.815 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000901553283 980379947 /nfs/dbraw/zinc/37/99/47/980379947.db2.gz WVFQFSQVUPPUDI-ZVZYQTTQSA-N 0 1 293.451 3.780 20 0 CHADMN C[C@@H](C[N@H+](Cc1ccccc1)C[C@H]1CC=CCC1)C(=O)[O-] ZINC000901579040 980390695 /nfs/dbraw/zinc/39/06/95/980390695.db2.gz DHIZJVBXVATPDJ-RDJZCZTQSA-N 0 1 287.403 3.566 20 0 CHADMN Cc1cc(C)c(/C=C/C[N@@H+](CC(=O)[O-])CC(C)C)cc1C ZINC000901590009 980395756 /nfs/dbraw/zinc/39/57/56/980395756.db2.gz YBPVHBDJPJIASA-VOTSOKGWSA-N 0 1 289.419 3.668 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@H](c1ccccc1)C(C)C ZINC000901596756 980399009 /nfs/dbraw/zinc/39/90/09/980399009.db2.gz YISYKWXOHCBICZ-KRWDZBQOSA-N 0 1 291.435 3.859 20 0 CHADMN CC1(C)CCC[C@@H](C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000901646497 980423563 /nfs/dbraw/zinc/42/35/63/980423563.db2.gz PFMIGCXYFVMUPN-CYBMUJFWSA-N 0 1 287.403 3.917 20 0 CHADMN C[C@H]1CCC[C@@H](C[N@H+]2CCc3cc(C(=O)[O-])ccc3C2)C1 ZINC000901668376 980435003 /nfs/dbraw/zinc/43/50/03/980435003.db2.gz DNKBPYFZYODBBC-UONOGXRCSA-N 0 1 287.403 3.569 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000901698672 980453696 /nfs/dbraw/zinc/45/36/96/980453696.db2.gz YYVPTTPKYJGTJZ-PBHICJAKSA-N 0 1 281.440 3.780 20 0 CHADMN C[C@@H](C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000901701806 980457180 /nfs/dbraw/zinc/45/71/80/980457180.db2.gz XWFJWTOKMGKOCQ-BLLLJJGKSA-N 0 1 295.810 3.630 20 0 CHADMN Cc1ccc(C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-])cc1C ZINC000901839997 980557791 /nfs/dbraw/zinc/55/77/91/980557791.db2.gz CFWGVLVIWGCHOL-UHFFFAOYSA-N 0 1 291.435 3.872 20 0 CHADMN CCc1cccc2cc(C[N@@H+](CCC(=O)[O-])C(C)C)oc21 ZINC000901980290 980659510 /nfs/dbraw/zinc/65/95/10/980659510.db2.gz LRNLYYKPRYBCOM-UHFFFAOYSA-N 0 1 289.375 3.680 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000901984598 980665569 /nfs/dbraw/zinc/66/55/69/980665569.db2.gz NLXKXEKMYLUGRC-GJZGRUSLSA-N 0 1 299.480 3.651 20 0 CHADMN CC[C@H](C)[N@@H+](CC[C@H](C)CCC=C(C)C)CC(=O)[O-] ZINC000901986657 980667831 /nfs/dbraw/zinc/66/78/31/980667831.db2.gz AUMIDJZSAYOPBW-CABCVRRESA-N 0 1 269.429 3.944 20 0 CHADMN CC[C@@H](C)[N@@H+](CC[C@H](C)CCC=C(C)C)CC(=O)[O-] ZINC000901986662 980667837 /nfs/dbraw/zinc/66/78/37/980667837.db2.gz AUMIDJZSAYOPBW-HUUCEWRRSA-N 0 1 269.429 3.944 20 0 CHADMN CC1(C)CCC[C@H](C[N@H+]2CCCCC[C@@H]2C(=O)[O-])C1 ZINC000902035132 980706732 /nfs/dbraw/zinc/70/67/32/980706732.db2.gz OTJJNWOULGDJIL-UONOGXRCSA-N 0 1 267.413 3.532 20 0 CHADMN CCSc1cccc(C[N@@H+](CC(=O)[O-])C2CCCC2)c1 ZINC000902039872 980710614 /nfs/dbraw/zinc/71/06/14/980710614.db2.gz QCNVTGANBIMYBO-UHFFFAOYSA-N 0 1 293.432 3.628 20 0 CHADMN C[C@H](C[N@@H+](CC(=O)[O-])C1CCCC1)c1cccc(Cl)c1 ZINC000902039976 980710679 /nfs/dbraw/zinc/71/06/79/980710679.db2.gz REPXTPIFQKHJJH-GFCCVEGCSA-N 0 1 295.810 3.773 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])C[C@@H]1CC=CCC1 ZINC001595360742 980754428 /nfs/dbraw/zinc/75/44/28/980754428.db2.gz NPVFPBJQPASUAN-NVXWUHKLSA-N 0 1 287.403 3.881 20 0 CHADMN CC1=CC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC1 ZINC000902281708 980815322 /nfs/dbraw/zinc/81/53/22/980815322.db2.gz JSYUHHSWMDEACY-UHFFFAOYSA-N 0 1 297.354 3.797 20 0 CHADMN CCC1(CC)CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C)C1 ZINC001595375179 980893156 /nfs/dbraw/zinc/89/31/56/980893156.db2.gz WNTASQJEYIHCHU-OAHLLOKOSA-N 0 1 275.392 3.633 20 0 CHADMN CCc1oc(C[N@H+]([C@H](C)[C@H](C)CC)C2CC2)cc1C(=O)[O-] ZINC000902516493 980916415 /nfs/dbraw/zinc/91/64/15/980916415.db2.gz GHAPYKQUQMIQII-VXGBXAGGSA-N 0 1 293.407 3.939 20 0 CHADMN Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000902521263 980919228 /nfs/dbraw/zinc/91/92/28/980919228.db2.gz PLWBVCZKLQDCFT-CABCVRRESA-N 0 1 289.419 3.674 20 0 CHADMN C[C@H]([N@@H+](C)Cc1ccnc2c(C(=O)[O-])cccc12)C1(C)CC1 ZINC000902522723 980919628 /nfs/dbraw/zinc/91/96/28/980919628.db2.gz BGSOUCBAKZIKMD-LBPRGKRZSA-N 0 1 298.386 3.553 20 0 CHADMN CC[N@@H+](Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)C(C)C ZINC000902523706 980919801 /nfs/dbraw/zinc/91/98/01/980919801.db2.gz KTYAKUGPOFKQDP-UHFFFAOYSA-N 0 1 287.359 3.875 20 0 CHADMN CCSCC[C@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])c(CC)o1 ZINC000902523291 980920062 /nfs/dbraw/zinc/92/00/62/980920062.db2.gz IEZXYUYETUWWRA-NSHDSACASA-N 0 1 299.436 3.504 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@@H]1CCc1ccccc1)C(=O)[O-] ZINC000902523675 980920114 /nfs/dbraw/zinc/92/01/14/980920114.db2.gz JPKDWMJIQXMIMK-MRXNPFEDSA-N 0 1 289.419 3.585 20 0 CHADMN CCc1oc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC000902540353 980926662 /nfs/dbraw/zinc/92/66/62/980926662.db2.gz FEAXEVMPIAVFNX-LNSITVRQSA-N 0 1 291.391 3.551 20 0 CHADMN O=C([O-])/C=C\c1ccc(C[N@H+]2CCCC[C@@H]2C2CCC2)o1 ZINC000902535349 980926666 /nfs/dbraw/zinc/92/66/66/980926666.db2.gz YWQXVDNEZIJKNY-ZBTGYSDGSA-N 0 1 289.375 3.532 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000902542935 980926944 /nfs/dbraw/zinc/92/69/44/980926944.db2.gz PCNYOULYHMTIDN-WWGRRREGSA-N 0 1 299.370 3.744 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000902542434 980927096 /nfs/dbraw/zinc/92/70/96/980927096.db2.gz OHMOWFCMPJVROF-XJKCOSOUSA-N 0 1 299.370 3.744 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000902542936 980927161 /nfs/dbraw/zinc/92/71/61/980927161.db2.gz PCNYOULYHMTIDN-XJKCOSOUSA-N 0 1 299.370 3.744 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)[N@H+](Cc3ccoc3C(=O)[O-])C2)cc1 ZINC000902545747 980928133 /nfs/dbraw/zinc/92/81/33/980928133.db2.gz KWVFBYWDKSWLFL-BBRMVZONSA-N 0 1 299.370 3.664 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3cc(C(=O)[O-])co3)C2)cc1 ZINC000902546108 980928332 /nfs/dbraw/zinc/92/83/32/980928332.db2.gz RHINEVUYHQCEFP-HIFRSBDPSA-N 0 1 299.370 3.664 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000903408174 980959070 /nfs/dbraw/zinc/95/90/70/980959070.db2.gz FYELDXYYTFWPAJ-KRWDZBQOSA-N 0 1 289.419 3.714 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CCc1cccc2ccccc21 ZINC000903594836 980978450 /nfs/dbraw/zinc/97/84/50/980978450.db2.gz HHXJAXUWNSUOIW-KSSFIOAISA-N 0 1 299.414 3.813 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1CCc2c(cccc2C(C)C)C1 ZINC000903597270 980980600 /nfs/dbraw/zinc/98/06/00/980980600.db2.gz KXFTZWLMJFKCIA-CXAGYDPISA-N 0 1 289.419 3.667 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+]1CCc2c(cccc2C(C)C)C1 ZINC000903597273 980980930 /nfs/dbraw/zinc/98/09/30/980980930.db2.gz KXFTZWLMJFKCIA-DYVFJYSZSA-N 0 1 289.419 3.667 20 0 CHADMN CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(C(=O)[O-])ccc1OC ZINC000903608081 980989419 /nfs/dbraw/zinc/98/94/19/980989419.db2.gz XIJVSGRYKQVOGP-SWLSCSKDSA-N 0 1 291.391 3.546 20 0 CHADMN CC(C)C[N@@H+](CCCC1CCC1)CC(C)(C)C(=O)[O-] ZINC000903623424 981000198 /nfs/dbraw/zinc/00/01/98/981000198.db2.gz YGTYRSAJHBYOBO-UHFFFAOYSA-N 0 1 269.429 3.636 20 0 CHADMN CC1(C)[C@H](c2ccc(Cl)cc2)CC[N@H+]1CCCC(=O)[O-] ZINC000903630900 981006934 /nfs/dbraw/zinc/00/69/34/981006934.db2.gz IIFJRMZAYIAAMG-AWEZNQCLSA-N 0 1 295.810 3.773 20 0 CHADMN CC1(C)CC[N@@H+](CCCCC(=O)[O-])C[C@@H]1c1ccccc1 ZINC000903706865 981017000 /nfs/dbraw/zinc/01/70/00/981017000.db2.gz HBZMOGPHZUNGSA-MRXNPFEDSA-N 0 1 289.419 3.757 20 0 CHADMN CC[C@]1(C)CC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC000903898324 981027192 /nfs/dbraw/zinc/02/71/92/981027192.db2.gz OWCNSNIIHAWRBD-GOSISDBHSA-N 0 1 298.386 3.555 20 0 CHADMN O=C([O-])C[N@@H+](CC1CCC2(CC2)CC1)C1CCCCC1 ZINC000903901482 981028888 /nfs/dbraw/zinc/02/88/88/981028888.db2.gz JYZDQILCQFNDSZ-UHFFFAOYSA-N 0 1 279.424 3.676 20 0 CHADMN CC1(C)C[C@H](c2ccccc2)C[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000903935468 981055006 /nfs/dbraw/zinc/05/50/06/981055006.db2.gz ZQHNMAZBUDPQNV-HNNXBMFYSA-N 0 1 299.370 3.746 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1C[N@@H+](CCC(F)(F)F)CC(=O)[O-] ZINC001595440361 981076511 /nfs/dbraw/zinc/07/65/11/981076511.db2.gz IPUUOLWVTBZCGP-VXGBXAGGSA-N 0 1 295.345 3.542 20 0 CHADMN CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC001595444189 981086586 /nfs/dbraw/zinc/08/65/86/981086586.db2.gz KGEMLSHJCPYIQB-DGCLKSJQSA-N 0 1 281.421 3.847 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001595444400 981088137 /nfs/dbraw/zinc/08/81/37/981088137.db2.gz OJYCPPPOHLOYKO-SJNHIQHISA-N 0 1 291.391 3.778 20 0 CHADMN CCC[C@@H](C)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001595580724 981520228 /nfs/dbraw/zinc/52/02/28/981520228.db2.gz NJWCYBSNGOQDPI-BYCMXARLSA-N 0 1 295.810 3.629 20 0 CHADMN CCC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])co1)c1ccccn1 ZINC001595601141 981586711 /nfs/dbraw/zinc/58/67/11/981586711.db2.gz VDCCXRVTHRASMD-SMDDNHRTSA-N 0 1 288.347 3.565 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595620065 981685301 /nfs/dbraw/zinc/68/53/01/981685301.db2.gz VPWLENYDYUEINC-SDDRHHMPSA-N 0 1 296.436 3.803 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC001595628736 981790119 /nfs/dbraw/zinc/79/01/19/981790119.db2.gz KPVHARNSKVIALN-KGLIPLIRSA-N 0 1 281.783 3.730 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC001595628736 981790122 /nfs/dbraw/zinc/79/01/22/981790122.db2.gz KPVHARNSKVIALN-KGLIPLIRSA-N 0 1 281.783 3.730 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC001595629051 981794939 /nfs/dbraw/zinc/79/49/39/981794939.db2.gz VMAOYMGGCMCJMD-WBVHZDCISA-N 0 1 293.382 3.509 20 0 CHADMN CC[C@](C)(C(=O)[O-])[N@H+](Cc1cccc(C)c1F)CC1CC1 ZINC001594787406 981818484 /nfs/dbraw/zinc/81/84/84/981818484.db2.gz CQKWVSZLHPNMIK-QGZVFWFLSA-N 0 1 293.382 3.599 20 0 CHADMN CCCC[C@H](C)[N@@H+](CCCC)Cc1cncc(C(=O)[O-])c1 ZINC001595632429 981855575 /nfs/dbraw/zinc/85/55/75/981855575.db2.gz WVTGCSCOQTUNQE-AWEZNQCLSA-N 0 1 292.423 3.961 20 0 CHADMN COc1ccc(F)c(F)c1CN1[C@H](C)CCC[C@H]1C ZINC001143403398 1118734974 /nfs/dbraw/zinc/73/49/74/1118734974.db2.gz CQVFNNDHWWGQKL-GHMZBOCLSA-N 0 1 269.335 3.736 20 0 CHADMN Cc1ccc(CNCc2ccc(Br)s2)nc1 ZINC000087782189 1118767272 /nfs/dbraw/zinc/76/72/72/1118767272.db2.gz SHXCTRGRIUJYPM-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001594930946 982556676 /nfs/dbraw/zinc/55/66/76/982556676.db2.gz DEQCMPOZWWNRDB-BWZZMRCASA-N 0 1 291.391 3.778 20 0 CHADMN CC[N@H+](Cc1cc(C(F)(F)F)ccc1Cl)C[C@@H](C)O ZINC000348705748 1118832957 /nfs/dbraw/zinc/83/29/57/1118832957.db2.gz GLVHAVCERVAFAW-SECBINFHSA-N 0 1 295.732 3.562 20 0 CHADMN CCN(Cc1cc(C(F)(F)F)ccc1Cl)C[C@@H](C)O ZINC000348705748 1118832961 /nfs/dbraw/zinc/83/29/61/1118832961.db2.gz GLVHAVCERVAFAW-SECBINFHSA-N 0 1 295.732 3.562 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC001594931937 982573695 /nfs/dbraw/zinc/57/36/95/982573695.db2.gz ZRMPACORTNPBTL-YPMHNXCESA-N 0 1 281.421 3.847 20 0 CHADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC000923262896 982853863 /nfs/dbraw/zinc/85/38/63/982853863.db2.gz CNVVZMJLUQQIIW-QGZVFWFLSA-N 0 1 299.414 3.641 20 0 CHADMN CCC[N@@H+](Cc1ccc(C(=O)[O-])c2cccnc12)C(C)C ZINC001595888166 982916973 /nfs/dbraw/zinc/91/69/73/982916973.db2.gz HWGXHPNXIBDHGU-UHFFFAOYSA-N 0 1 286.375 3.553 20 0 CHADMN O=C([O-])[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@@H](CCF)C1 ZINC001118438146 982956148 /nfs/dbraw/zinc/95/61/48/982956148.db2.gz HSAWCYLVBZBWGN-SMDDNHRTSA-N 0 1 299.773 3.537 20 0 CHADMN CC(C)(CC(F)(F)F)NCc1ccc(F)c(F)c1F ZINC000657444100 1119095319 /nfs/dbraw/zinc/09/53/19/1119095319.db2.gz UWTAQGDZWYVBCX-UHFFFAOYSA-N 0 1 285.231 3.925 20 0 CHADMN CC(C)N(Cc1nc(C2CC2)cs1)C1CCC1 ZINC000342730514 1119146475 /nfs/dbraw/zinc/14/64/75/1119146475.db2.gz MESRSTADVOKMPJ-UHFFFAOYSA-N 0 1 250.411 3.783 20 0 CHADMN C/C(=C\C[N@H+](C)C1(Cc2ccccc2)CCCC1)C(=O)[O-] ZINC001588956320 984702563 /nfs/dbraw/zinc/70/25/63/984702563.db2.gz LJZIEBRYUOLPPN-XNTDXEJSSA-N 0 1 287.403 3.505 20 0 CHADMN C[C@@H]1CCSCCN1Cc1nc2ccccc2s1 ZINC000286240019 1119312930 /nfs/dbraw/zinc/31/29/30/1119312930.db2.gz RTUHXFDVIFWTBJ-LLVKDONJSA-N 0 1 278.446 3.624 20 0 CHADMN CCC[C@@H](C)NC(=O)[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000147896050 1119340103 /nfs/dbraw/zinc/34/01/03/1119340103.db2.gz ZBKLGMSBWMVCGI-UPJWGTAASA-N 0 1 296.842 3.684 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2nc(C3CC3)cs2)C1 ZINC000343534230 1119446003 /nfs/dbraw/zinc/44/60/03/1119446003.db2.gz IJADXHVIFIYRHI-MNOVXSKESA-N 0 1 250.411 3.641 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1nc2ccccc2[nH]1 ZINC000131929646 1125497584 /nfs/dbraw/zinc/49/75/84/1125497584.db2.gz VMPNWEWAMJSBMO-GFCCVEGCSA-N 0 1 277.437 3.526 20 0 CHADMN C[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC001594668081 986975071 /nfs/dbraw/zinc/97/50/71/986975071.db2.gz QHZKZJNQAJTERO-ZDUSSCGKSA-N 0 1 281.355 3.504 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](C[C@@H]1CCCC(C)(C)C1)C1CCC1 ZINC001589486359 987026705 /nfs/dbraw/zinc/02/67/05/987026705.db2.gz MVFFCVZPPTWGAR-CHWSQXEVSA-N 0 1 267.413 3.530 20 0 CHADMN CCCC[N@@H+](CC)CC(=O)Nc1ccccc1C(C)C ZINC000131779587 1119643194 /nfs/dbraw/zinc/64/31/94/1119643194.db2.gz MPCLTCHLPOMLPM-UHFFFAOYSA-N 0 1 276.424 3.871 20 0 CHADMN CCCCN(CC)CC(=O)Nc1ccccc1C(C)C ZINC000131779587 1119643196 /nfs/dbraw/zinc/64/31/96/1119643196.db2.gz MPCLTCHLPOMLPM-UHFFFAOYSA-N 0 1 276.424 3.871 20 0 CHADMN CCSCC[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])c(C)c1 ZINC001597259310 987280033 /nfs/dbraw/zinc/28/00/33/987280033.db2.gz PMWJLAUDMNULEV-ZDUSSCGKSA-N 0 1 295.448 3.657 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001589732131 987955200 /nfs/dbraw/zinc/95/52/00/987955200.db2.gz GHOLRBQWYNPFQJ-KFWWJZLASA-N 0 1 281.440 3.636 20 0 CHADMN CC(C)(C)C[C@H]1CC[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001589764554 988103635 /nfs/dbraw/zinc/10/36/35/988103635.db2.gz NGXNERQMVFPLFP-KTRBRXNASA-N 0 1 291.391 3.636 20 0 CHADMN CC(C)c1nnc(CN2C[C@@H](c3ccccc3)C[C@@H]2C)o1 ZINC000115555161 1125504485 /nfs/dbraw/zinc/50/44/85/1125504485.db2.gz NBQVPKPELPMVAA-ZFWWWQNUSA-N 0 1 285.391 3.571 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H]1CC(C)C ZINC001597762678 989199229 /nfs/dbraw/zinc/19/92/29/989199229.db2.gz IVLKRPVULKXLSZ-ZDUSSCGKSA-N 0 1 279.380 3.551 20 0 CHADMN CCCCSc1nc(-c2ccc(CC)cc2)n[nH]1 ZINC000061335101 1120028336 /nfs/dbraw/zinc/02/83/36/1120028336.db2.gz VPNKKQZPRRNFHI-UHFFFAOYSA-N 0 1 261.394 3.926 20 0 CHADMN CSc1ccccc1NC(=O)CN(C)CCC=C(C)C ZINC000659833489 1120134879 /nfs/dbraw/zinc/13/48/79/1120134879.db2.gz GQHIEOYWANFAOU-UHFFFAOYSA-N 0 1 292.448 3.635 20 0 CHADMN CC[C@H](C)Sc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000303915432 1120188773 /nfs/dbraw/zinc/18/87/73/1120188773.db2.gz NSQXIZIXQNIRCW-ZETCQYMHSA-N 0 1 269.320 3.641 20 0 CHADMN C[N@@H+](C[C@H]1CCCC(C)(C)C1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598453447 991914027 /nfs/dbraw/zinc/91/40/27/991914027.db2.gz JMRBGQXXJBPXDS-HOCLYGCPSA-N 0 1 289.419 3.961 20 0 CHADMN CC(C)CC[C@H]1CCCCN1Cc1nc(C(C)C)no1 ZINC000472826517 1120196935 /nfs/dbraw/zinc/19/69/35/1120196935.db2.gz NMDGKYZSWRAROK-CQSZACIVSA-N 0 1 279.428 3.984 20 0 CHADMN C[N@@H+](CC/C=C\c1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598471755 992036978 /nfs/dbraw/zinc/03/69/78/992036978.db2.gz FDXIIADHXFSNGB-XSZJWBAASA-N 0 1 295.382 3.848 20 0 CHADMN CC(C)[N@@H+](C[C@H]1CCCC[C@@H]1C(=O)[O-])C1CCCC1 ZINC001591574686 992784871 /nfs/dbraw/zinc/78/48/71/992784871.db2.gz RPHHEDLAYSZYLX-HIFRSBDPSA-N 0 1 267.413 3.530 20 0 CHADMN C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)c1ccc(C(=O)[O-])o1 ZINC001593197389 994162627 /nfs/dbraw/zinc/16/26/27/994162627.db2.gz JSBLSTXKPPEFOR-RKDXNWHRSA-N 0 1 295.285 3.668 20 0 CHADMN CC(C)CCN(C)Cc1ncc(-c2cccs2)o1 ZINC000067377662 1120439168 /nfs/dbraw/zinc/43/91/68/1120439168.db2.gz IGUUJSJVEKJPML-UHFFFAOYSA-N 0 1 264.394 3.881 20 0 CHADMN CO[C@@H]1CCC[C@@H]1Sc1nc2ccc(Cl)cc2[nH]1 ZINC000543265985 1120476381 /nfs/dbraw/zinc/47/63/81/1120476381.db2.gz DCDRQYCOQGOJFK-NEPJUHHUSA-N 0 1 282.796 3.876 20 0 CHADMN C[C@H](c1ccc(F)cc1)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001593697802 996157901 /nfs/dbraw/zinc/15/79/01/996157901.db2.gz PQLNHWASUUFGMY-GFCCVEGCSA-N 0 1 299.345 3.643 20 0 CHADMN CCC[C@@H](O)CCNCc1csc(-c2cccs2)n1 ZINC000922824930 1120604100 /nfs/dbraw/zinc/60/41/00/1120604100.db2.gz KPBHBNNGLDMSLL-GFCCVEGCSA-N 0 1 296.461 3.512 20 0 CHADMN CC1(C)CCCC[C@@H]1C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC001593903470 996774250 /nfs/dbraw/zinc/77/42/50/996774250.db2.gz BFQTWSJGPLRVFC-ZIAGYGMSSA-N 0 1 267.413 3.532 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1nc([C@H](C)OCC(C)C)no1 ZINC000661233354 1120742509 /nfs/dbraw/zinc/74/25/09/1120742509.db2.gz YGFUMGNCSVNJPA-QWHCGFSZSA-N 0 1 297.443 3.718 20 0 CHADMN C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC2(COC2)C1 ZINC000662072673 1120869748 /nfs/dbraw/zinc/86/97/48/1120869748.db2.gz IOUCNRBTOVAXGD-SNVBAGLBSA-N 0 1 286.202 3.777 20 0 CHADMN CCCC(CCC)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000236778621 1120913827 /nfs/dbraw/zinc/91/38/27/1120913827.db2.gz QLMLFEKKOWJZBH-NSHDSACASA-N 0 1 267.417 3.987 20 0 CHADMN CCN(CC)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000033853306 1121004482 /nfs/dbraw/zinc/00/44/82/1121004482.db2.gz PZMCPMPCQYYQHS-UHFFFAOYSA-N 0 1 264.756 3.837 20 0 CHADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001594166709 998634540 /nfs/dbraw/zinc/63/45/40/998634540.db2.gz ARXBQFKNXDIXBI-WBMJQRKESA-N 0 1 299.414 3.736 20 0 CHADMN CCCCc1nc(CN[C@@]2(CCC)CCOC2)cs1 ZINC000512245177 1121222351 /nfs/dbraw/zinc/22/23/51/1121222351.db2.gz QCWLYXQBEHVTKC-HNNXBMFYSA-N 0 1 282.453 3.535 20 0 CHADMN CCS[C@H]1CCCCN(Cc2csc(CC)n2)C1 ZINC000112089620 1121250912 /nfs/dbraw/zinc/25/09/12/1121250912.db2.gz OAIFQAUMKIHERO-ZDUSSCGKSA-N 0 1 284.494 3.813 20 0 CHADMN CC(C)(C)c1nc(Nc2cc(Cl)ccc2F)no1 ZINC001175297427 1121260574 /nfs/dbraw/zinc/26/05/74/1121260574.db2.gz SYSFYMRVCKAVCX-UHFFFAOYSA-N 0 1 269.707 3.903 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1nnc(C(C)(C)C)[nH]1 ZINC000432821405 1121391236 /nfs/dbraw/zinc/39/12/36/1121391236.db2.gz JLELRJKWEUJYGT-OLZOCXBDSA-N 0 1 278.444 3.503 20 0 CHADMN CN1CCC=C(Nc2cc(F)c(C(F)(F)F)c(F)c2)C1 ZINC001175582896 1121374322 /nfs/dbraw/zinc/37/43/22/1121374322.db2.gz OVBIJOAWPVNTHB-UHFFFAOYSA-N 0 1 292.251 3.615 20 0 CHADMN CC1(CN2CCc3c(F)cc(F)cc3C2)CCC1 ZINC000432813957 1121379974 /nfs/dbraw/zinc/37/99/74/1121379974.db2.gz PZMDITQJXABREK-UHFFFAOYSA-N 0 1 251.320 3.513 20 0 CHADMN Cc1ccc(CN(C)[C@H](C)c2cccc(F)c2)nc1 ZINC000676557264 1121443912 /nfs/dbraw/zinc/44/39/12/1121443912.db2.gz PCGCSBPXTVPGKF-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN CCc1nc(CN2CCC(C(C)(C)C)CC2)cs1 ZINC000512547640 1121469649 /nfs/dbraw/zinc/46/96/49/1121469649.db2.gz QMFPMCSIFYVGBS-UHFFFAOYSA-N 0 1 266.454 3.964 20 0 CHADMN CC(C)Oc1ccc(Nc2cncn2C)cc1Cl ZINC001175868830 1121486385 /nfs/dbraw/zinc/48/63/85/1121486385.db2.gz HDCXXAROJXPGFK-UHFFFAOYSA-N 0 1 265.744 3.604 20 0 CHADMN CCC(CC)N(CCOC)Cc1c(Cl)n[nH]c1C1CC1 ZINC001179942946 1121927312 /nfs/dbraw/zinc/92/73/12/1121927312.db2.gz WXSDHLJPZKYAHX-UHFFFAOYSA-N 0 1 299.846 3.578 20 0 CHADMN CC(C)(C)OCCN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732989024 1121949610 /nfs/dbraw/zinc/94/96/10/1121949610.db2.gz NGIMWTPIZRNATK-HNNXBMFYSA-N 0 1 283.362 3.917 20 0 CHADMN C[C@@H](c1ccc(OC(F)F)cc1)N1CC[C@@](C)(F)C1 ZINC000501391084 1121974861 /nfs/dbraw/zinc/97/48/61/1121974861.db2.gz HCZMWJOTTBMHHU-IINYFYTJSA-N 0 1 273.298 3.783 20 0 CHADMN CCC[C@@]1(COC)CCCN1Cc1ncc(C(C)C)o1 ZINC000773965771 1122105767 /nfs/dbraw/zinc/10/57/67/1122105767.db2.gz SZQRLDCHRKNPNX-INIZCTEOSA-N 0 1 280.412 3.579 20 0 CHADMN CC(C)=CCN(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000502543389 1122102308 /nfs/dbraw/zinc/10/23/08/1122102308.db2.gz IUJFQPSXQODQCQ-UHFFFAOYSA-N 0 1 288.218 3.754 20 0 CHADMN CC(C)c1nnc(CNC[C@H]2C[C@H]2C2CCCC2)s1 ZINC001184387913 1122272439 /nfs/dbraw/zinc/27/24/39/1122272439.db2.gz NZJVMKYDYBRNHQ-OLZOCXBDSA-N 0 1 279.453 3.577 20 0 CHADMN FC(F)CC1CN(Cc2ccc3occc3c2)C1 ZINC000425363288 1122462618 /nfs/dbraw/zinc/46/26/18/1122462618.db2.gz BFLJVQKLWCLXQN-UHFFFAOYSA-N 0 1 251.276 3.520 20 0 CHADMN CCCCNC(=O)Nc1cc(Cl)c(C)c(Cl)c1O ZINC001190624016 1122545600 /nfs/dbraw/zinc/54/56/00/1122545600.db2.gz ZQYWILJLGDLBQU-UHFFFAOYSA-N 0 1 291.178 3.929 20 0 CHADMN CCCCCOc1ccc([C@@H](C)NCCF)cc1 ZINC000436295817 1122534811 /nfs/dbraw/zinc/53/48/11/1122534811.db2.gz HQRRKXZNUIBREW-CYBMUJFWSA-N 0 1 253.361 3.876 20 0 CHADMN CCCC[N@@H+](C)Cc1cccc(OCC)c1OC(F)F ZINC000505897716 1122592561 /nfs/dbraw/zinc/59/25/61/1122592561.db2.gz IERLBPPEGXODHK-UHFFFAOYSA-N 0 1 287.350 3.919 20 0 CHADMN CC(C)CCC[C@H](C)NC(=O)c1c(O)ccc(F)c1F ZINC001192769425 1122657506 /nfs/dbraw/zinc/65/75/06/1122657506.db2.gz LLACYMUPNJQMTN-JTQLQIEISA-N 0 1 285.334 3.615 20 0 CHADMN C[C@@H](NCCOCC1CCC1)c1c(F)cccc1Cl ZINC001192625718 1122654889 /nfs/dbraw/zinc/65/48/89/1122654889.db2.gz FNTICXOHGVHNGN-LLVKDONJSA-N 0 1 285.790 3.946 20 0 CHADMN Cc1noc([C@@H]2CCCCN2C[C@H](C)CC(C)C)n1 ZINC000353553526 1122717337 /nfs/dbraw/zinc/71/73/37/1122717337.db2.gz FCAPPJGFFVIROK-OCCSQVGLSA-N 0 1 265.401 3.587 20 0 CHADMN CC[C@H]1CC[C@H](NCc2nnc(C(C)C)s2)CC1 ZINC000894605429 1122877618 /nfs/dbraw/zinc/87/76/18/1122877618.db2.gz MDONOTYGULPLQC-HAQNSBGRSA-N 0 1 267.442 3.720 20 0 CHADMN C[C@@H]1CN(Cc2sccc2NC(=O)OC(C)(C)C)[C@@H]1C ZINC000894626981 1122884012 /nfs/dbraw/zinc/88/40/12/1122884012.db2.gz BDGQIZAHUHGSOW-GHMZBOCLSA-N 0 1 296.436 3.935 20 0 CHADMN CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000330563183 1123120870 /nfs/dbraw/zinc/12/08/70/1123120870.db2.gz IWXBPCVKALPSRL-TUAOUCFPSA-N 0 1 265.401 3.596 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001201977617 1123159796 /nfs/dbraw/zinc/15/97/96/1123159796.db2.gz UOHWETRIPKZRHA-JYJNAYRXSA-N 0 1 289.410 3.503 20 0 CHADMN Cc1cc(C)c(C[N@@H+](CC(=O)[O-])CC(C)(C)C)cc1C ZINC000665349724 1123430406 /nfs/dbraw/zinc/43/04/06/1123430406.db2.gz RVHABEHMPAKKIT-UHFFFAOYSA-N 0 1 277.408 3.545 20 0 CHADMN Cc1cnc(Cl)c(CN2CCC[C@H](CCF)C2)c1 ZINC000895382499 1123472588 /nfs/dbraw/zinc/47/25/88/1123472588.db2.gz HIWOLYNEIZVBAU-GFCCVEGCSA-N 0 1 270.779 3.615 20 0 CHADMN FC[C@H]1CCCN(Cc2cnc(C3CCC3)s2)C1 ZINC000895543642 1123490492 /nfs/dbraw/zinc/49/04/92/1123490492.db2.gz DOHAGRQPGLCAEX-LLVKDONJSA-N 0 1 268.401 3.592 20 0 CHADMN C[C@@H](NCc1cccc(OC(F)F)c1)c1ccns1 ZINC000858316903 1123644412 /nfs/dbraw/zinc/64/44/12/1123644412.db2.gz DDLWOTUKUBMUHI-SECBINFHSA-N 0 1 284.331 3.595 20 0 CHADMN Cc1cccc(CN2CCC[C@H]2c2ccsc2)n1 ZINC000346450571 1123688029 /nfs/dbraw/zinc/68/80/29/1123688029.db2.gz PDHHICPMSXGWEC-HNNXBMFYSA-N 0 1 258.390 3.789 20 0 CHADMN Brc1ccccc1SCCN1CCCC1 ZINC000117553874 1123735606 /nfs/dbraw/zinc/73/56/06/1123735606.db2.gz MCZLTCLQNADSRS-UHFFFAOYSA-N 0 1 286.238 3.637 20 0 CHADMN C[C@@H](Nc1ccc(CN(C)C)c(F)c1)C1CC(F)(F)C1 ZINC000862262849 1123796012 /nfs/dbraw/zinc/79/60/12/1123796012.db2.gz XIHQKDMYOQWLJP-SNVBAGLBSA-N 0 1 286.341 3.733 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CCC[C@H](C(C)C)C2)n1 ZINC000444753320 1124060364 /nfs/dbraw/zinc/06/03/64/1124060364.db2.gz NNIUCTPKZCUXFQ-OLZOCXBDSA-N 0 1 265.401 3.622 20 0 CHADMN C[C@H]1CN(Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC000446781784 1124122931 /nfs/dbraw/zinc/12/29/31/1124122931.db2.gz AGJMBXSGDRZJBD-PHIMTYICSA-N 0 1 252.427 3.528 20 0 CHADMN CC[C@]1(C)CCN(Cc2cccnc2C(F)(F)F)C1 ZINC000528407111 1124655339 /nfs/dbraw/zinc/65/53/39/1124655339.db2.gz VXKRBQPLMHHYJF-CYBMUJFWSA-N 0 1 272.314 3.722 20 0 CHADMN C/C(Cl)=C\CN1C[C@@H](C)N(C/C=C(/C)Cl)[C@@H](C)C1 ZINC000528486251 1124679403 /nfs/dbraw/zinc/67/94/03/1124679403.db2.gz OJENQRQGAREMFO-WYTUHPMASA-N 0 1 291.266 3.666 20 0 CHADMN Clc1ccc(CN2CCC[C@@]3(CCSC3)C2)o1 ZINC000449732307 1124853405 /nfs/dbraw/zinc/85/34/05/1124853405.db2.gz LBVWUCDITJXSAM-CYBMUJFWSA-N 0 1 271.813 3.652 20 0 CHADMN CSC(C)(C)CCN1CCO[C@@H](c2ccsc2)C1 ZINC000876778321 1124977704 /nfs/dbraw/zinc/97/77/04/1124977704.db2.gz BHKWTBCORIXEMU-CYBMUJFWSA-N 0 1 285.478 3.653 20 0 CHADMN CSCCNCc1csc(-c2ccc(C)cc2)n1 ZINC000237510976 1125199420 /nfs/dbraw/zinc/19/94/20/1125199420.db2.gz KCVGIITUQLIKSX-UHFFFAOYSA-N 0 1 278.446 3.571 20 0 CHADMN CCCCc1nc(CN2CC[C@@H]3CSC[C@@H]3C2)cs1 ZINC000879559994 1125219087 /nfs/dbraw/zinc/21/90/87/1125219087.db2.gz VAEDKYPXAWWLRY-OLZOCXBDSA-N 0 1 296.505 3.671 20 0 CHADMN Brc1cccc2c1CN(CCCC1CC1)CC2 ZINC001168163349 1125299110 /nfs/dbraw/zinc/29/91/10/1125299110.db2.gz LORSYRBSADHBBR-UHFFFAOYSA-N 0 1 294.236 3.997 20 0 CHADMN C[C@H](NCc1cncs1)c1ccc(OC(F)F)cc1 ZINC000133044795 1125430641 /nfs/dbraw/zinc/43/06/41/1125430641.db2.gz IKFZHVQHSWIJQC-VIFPVBQESA-N 0 1 284.331 3.595 20 0 CHADMN CC(C)(C)C1CCN(Cc2ncc(C(F)(F)F)[nH]2)CC1 ZINC001137010482 1131504039 /nfs/dbraw/zinc/50/40/39/1131504039.db2.gz SUDCWORYQVSXIQ-UHFFFAOYSA-N 0 1 289.345 3.687 20 0 CHADMN Fc1ccc(Cl)c(CN2CC3CCC2CC3)c1 ZINC001138674656 1131535449 /nfs/dbraw/zinc/53/54/49/1131535449.db2.gz ZPCLFBDQFXCDHT-UHFFFAOYSA-N 0 1 253.748 3.854 20 0 CHADMN COc1cc(Cl)cc(CN2CCCCCC2)c1OC ZINC001138742250 1131544405 /nfs/dbraw/zinc/54/44/05/1131544405.db2.gz MIWCJAXRRDXMFT-UHFFFAOYSA-N 0 1 283.799 3.733 20 0 CHADMN COCC1CN(Cc2ccc(-c3cccs3)s2)C1 ZINC001139017634 1131572278 /nfs/dbraw/zinc/57/22/78/1131572278.db2.gz VHJYCYIJGJZYKW-UHFFFAOYSA-N 0 1 279.430 3.555 20 0 CHADMN CCOc1c(F)cc(CN2CCC[C@@H](F)CC2)cc1F ZINC001144021420 1131572801 /nfs/dbraw/zinc/57/28/01/1131572801.db2.gz HHQWQIADGMSVJS-GFCCVEGCSA-N 0 1 287.325 3.688 20 0 CHADMN O[C@H](CN1CC[C@H]1C1CC1)c1ccc(Cl)cc1Cl ZINC000834382857 1131673942 /nfs/dbraw/zinc/67/39/42/1131673942.db2.gz PEKLYOAKUPLMGN-UONOGXRCSA-N 0 1 286.202 3.511 20 0 CHADMN O=C([O-])c1ccsc1C[N@H+]1CCC2(C1)CCCCC2 ZINC001144685112 1131683896 /nfs/dbraw/zinc/68/38/96/1131683896.db2.gz XDIYCDBKYOEPCX-UHFFFAOYSA-N 0 1 279.405 3.603 20 0 CHADMN CN(Cc1ccsc1)Cc1ccc2scnc2c1 ZINC001144738955 1131698766 /nfs/dbraw/zinc/69/87/66/1131698766.db2.gz MQDQQXSZVKVOBS-UHFFFAOYSA-N 0 1 274.414 3.990 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccc(C(C)C)cc1 ZINC000846266624 1131704027 /nfs/dbraw/zinc/70/40/27/1131704027.db2.gz VUCDNWNZUQHRNL-UHFFFAOYSA-N 0 1 277.408 3.743 20 0 CHADMN CN(Cc1sc(NC(C)(C)C)nc1Cl)CC1CC1 ZINC001140391041 1131712409 /nfs/dbraw/zinc/71/24/09/1131712409.db2.gz ZYEXARQGHFYXKI-UHFFFAOYSA-N 0 1 287.860 3.849 20 0 CHADMN Cc1ccc(Cl)nc1CN1CCCC(F)(F)CC1 ZINC001140441017 1131738291 /nfs/dbraw/zinc/73/82/91/1131738291.db2.gz FKSSKRUKOLGGET-UHFFFAOYSA-N 0 1 274.742 3.665 20 0 CHADMN CC(=O)C1CCN([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000846943803 1131762800 /nfs/dbraw/zinc/76/28/00/1131762800.db2.gz NRZKJZPJELTKMY-INIZCTEOSA-N 0 1 277.795 3.628 20 0 CHADMN C[C@H](N[C@@H](C)c1cc(F)c(F)c(F)c1)c1ccc[nH]1 ZINC000773115967 1131949456 /nfs/dbraw/zinc/94/94/56/1131949456.db2.gz COZHUYLXLPDBIO-IUCAKERBSA-N 0 1 268.282 3.844 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@@H](C)c2ccns2)cc1 ZINC000715934796 1131998374 /nfs/dbraw/zinc/99/83/74/1131998374.db2.gz YVESFWONIKOIRQ-NEPJUHHUSA-N 0 1 276.405 3.954 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)N(C)Cc1cccc(F)c1F ZINC001172348200 1132181827 /nfs/dbraw/zinc/18/18/27/1132181827.db2.gz PBGAVOFPTADANM-OLZOCXBDSA-N 0 1 285.378 3.990 20 0 CHADMN CC[C@H](CC(C)C)N1CCCC[C@@H]1c1noc(C)n1 ZINC001172406465 1132198689 /nfs/dbraw/zinc/19/86/89/1132198689.db2.gz IEZPKAURKXWEMY-ZIAGYGMSSA-N 0 1 265.401 3.730 20 0 CHADMN C[C@H](CSc1ccc(Cl)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001172875290 1132354307 /nfs/dbraw/zinc/35/43/07/1132354307.db2.gz KIZSUYSLEYMTEO-UPJWGTAASA-N 0 1 299.867 3.930 20 0 CHADMN C[C@@H]1CCN(Cc2cnc(C(F)(F)F)cc2Cl)C1 ZINC001231902021 1132400576 /nfs/dbraw/zinc/40/05/76/1132400576.db2.gz YONWAJFQFVUNQC-MRVPVSSYSA-N 0 1 278.705 3.596 20 0 CHADMN CCC(CC)N(CC)Cc1c(Cl)nccc1OC ZINC001232154400 1132427218 /nfs/dbraw/zinc/42/72/18/1132427218.db2.gz ORASWDONVSVQPC-UHFFFAOYSA-N 0 1 270.804 3.754 20 0 CHADMN CC(C)C1CCN(Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001232240510 1132442776 /nfs/dbraw/zinc/44/27/76/1132442776.db2.gz KATLVVQPOUGUMI-UHFFFAOYSA-N 0 1 286.341 3.968 20 0 CHADMN CCCCC[C@H](CC)c1nc([C@H]2CCCN2)no1 ZINC000842638403 1132448061 /nfs/dbraw/zinc/44/80/61/1132448061.db2.gz KWBSHAHPTPPZPY-NWDGAFQWSA-N 0 1 251.374 3.568 20 0 CHADMN Cc1nc(Br)ccc1CN1CCC[C@H](C)[C@@H]1C ZINC001232322510 1132453765 /nfs/dbraw/zinc/45/37/65/1132453765.db2.gz KDYGWFVISYSAPX-JQWIXIFHSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1c(F)cc(C[N@H+]2CCC[C@](C)(F)CC2)cc1F ZINC001232419911 1132466802 /nfs/dbraw/zinc/46/68/02/1132466802.db2.gz LQWKAAALNSPQLM-HNNXBMFYSA-N 0 1 271.326 3.987 20 0 CHADMN COCCC1CCN(Cc2cc(F)c(C)c(F)c2)CC1 ZINC001232423603 1132469392 /nfs/dbraw/zinc/46/93/92/1132469392.db2.gz UCOGECIBELAFKN-UHFFFAOYSA-N 0 1 283.362 3.522 20 0 CHADMN Cc1cc(Br)c(CN2CC[C@H](C)C2)cc1F ZINC001232467043 1132474765 /nfs/dbraw/zinc/47/47/65/1132474765.db2.gz YJEQQHPGWRTVOW-VIFPVBQESA-N 0 1 286.188 3.738 20 0 CHADMN Nc1c(Br)cccc1CN1CCCCC12CC2 ZINC001232526715 1132483037 /nfs/dbraw/zinc/48/30/37/1132483037.db2.gz OILFCAIHQIFZMF-UHFFFAOYSA-N 0 1 295.224 3.550 20 0 CHADMN CCN(Cc1ccc(Br)[nH]1)Cc1cccs1 ZINC001232693095 1132508547 /nfs/dbraw/zinc/50/85/47/1132508547.db2.gz HNZGDZUOYBOZKJ-UHFFFAOYSA-N 0 1 299.237 3.861 20 0 CHADMN Oc1cc(Cl)cnc1Nc1ccc(Cl)c(O)c1F ZINC001214793949 1132550984 /nfs/dbraw/zinc/55/09/84/1132550984.db2.gz QEOVYWLDCQHWMM-UHFFFAOYSA-N 0 1 289.093 3.682 20 0 CHADMN Cc1cc(C)c(CN(C)Cc2cccc(Cl)c2)cn1 ZINC001233005357 1132561273 /nfs/dbraw/zinc/56/12/73/1132561273.db2.gz HSNICGKLLWMVNS-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN COc1cc(Cl)cc(F)c1CN(C)CC(C)C ZINC001233001879 1132561290 /nfs/dbraw/zinc/56/12/90/1132561290.db2.gz LHUDDEQQGRNPBX-UHFFFAOYSA-N 0 1 259.752 3.576 20 0 CHADMN COc1cc(Br)cc(CN2CCCCCC2)c1 ZINC001233212878 1132581877 /nfs/dbraw/zinc/58/18/77/1132581877.db2.gz HNMRXENSGJTSSU-UHFFFAOYSA-N 0 1 298.224 3.834 20 0 CHADMN COc1ccc(CN2CCC[C@H](C)[C@@H]2C)c(Cl)c1O ZINC001233400382 1132616370 /nfs/dbraw/zinc/61/63/70/1132616370.db2.gz GSGMSJJNNRFELZ-QWRGUYRKSA-N 0 1 283.799 3.675 20 0 CHADMN CSc1cccc(Cl)c1CN1CC[C@@H]2CCO[C@H]2C1 ZINC001233351469 1132608550 /nfs/dbraw/zinc/60/85/50/1132608550.db2.gz UDZSKVCJZKOLEA-RISCZKNCSA-N 0 1 297.851 3.673 20 0 CHADMN CC[C@@H]1CCCN(Cc2ccc(OC)c(O)c2Cl)C1 ZINC001233401025 1132619356 /nfs/dbraw/zinc/61/93/56/1132619356.db2.gz JILXZPDRBBNSMA-LLVKDONJSA-N 0 1 283.799 3.676 20 0 CHADMN CN(CCC(=O)c1cccs1)Cc1cccc(F)c1 ZINC001203789755 1133368452 /nfs/dbraw/zinc/36/84/52/1133368452.db2.gz LQALOSCKZWNNAS-UHFFFAOYSA-N 0 1 277.364 3.592 20 0 CHADMN FC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001203784137 1133368578 /nfs/dbraw/zinc/36/85/78/1133368578.db2.gz HTZUSLXMFBPYCI-GFCCVEGCSA-N 0 1 279.252 3.550 20 0 CHADMN FC[C@]1(C(F)(F)F)CCN(Cc2cccc(F)c2)C1 ZINC001203784137 1133368584 /nfs/dbraw/zinc/36/85/84/1133368584.db2.gz HTZUSLXMFBPYCI-GFCCVEGCSA-N 0 1 279.252 3.550 20 0 CHADMN CCN(Cc1c(F)cccc1F)C[C@@](C)(CC)OC ZINC001204186454 1133416815 /nfs/dbraw/zinc/41/68/15/1133416815.db2.gz BDNDZQCZCUUEQR-OAHLLOKOSA-N 0 1 271.351 3.602 20 0 CHADMN C[C@H]1CCN(Cc2cccc(F)c2F)CCC1(F)F ZINC001204193142 1133417767 /nfs/dbraw/zinc/41/77/67/1133417767.db2.gz FZMMPDOMASOISF-JTQLQIEISA-N 0 1 275.289 3.832 20 0 CHADMN CC[C@@H]1C[N@@H+](Cc2ccc(Cl)c(C)c2Cl)C[C@H]1O ZINC001204640969 1133470173 /nfs/dbraw/zinc/47/01/73/1133470173.db2.gz YTFJNAWTNVIBAW-ZWNOBZJWSA-N 0 1 288.218 3.505 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(Cl)c(C)c2Cl)C[C@H]1O ZINC001204640969 1133470174 /nfs/dbraw/zinc/47/01/74/1133470174.db2.gz YTFJNAWTNVIBAW-ZWNOBZJWSA-N 0 1 288.218 3.505 20 0 CHADMN C[C@@H]1CCCN(Cc2cc3c(ccnc3Cl)o2)C1 ZINC001205045743 1133520787 /nfs/dbraw/zinc/52/07/87/1133520787.db2.gz CIVQROGUBMTENF-SNVBAGLBSA-N 0 1 264.756 3.713 20 0 CHADMN F[C@H]1CN(CC2CCC(F)(F)CC2)CCCC1(F)F ZINC001207342909 1133792751 /nfs/dbraw/zinc/79/27/51/1133792751.db2.gz QDYQMQVHQOPHLP-NSHDSACASA-N 0 1 285.300 3.881 20 0 CHADMN CC1(C)CN(CCCC2CCCCC2)CCC1=O ZINC001207608985 1133829995 /nfs/dbraw/zinc/82/99/95/1133829995.db2.gz IPIOCKZMRNVXKP-UHFFFAOYSA-N 0 1 251.414 3.648 20 0 CHADMN C[C@H](CN1CC[C@](C)(F)[C@H](F)C1)c1ccccc1 ZINC001207903660 1133858116 /nfs/dbraw/zinc/85/81/16/1133858116.db2.gz PODAUIMZSZZQEU-YUELXQCFSA-N 0 1 253.336 3.562 20 0 CHADMN CO[C@@H]1CCCN(CCc2c(Cl)cccc2Cl)C1 ZINC001209106843 1133975406 /nfs/dbraw/zinc/97/54/06/1133975406.db2.gz VYBLNKCNGHHDLQ-LLVKDONJSA-N 0 1 288.218 3.647 20 0 CHADMN Fc1cc(F)c(CC[N@H+]2CCC3(CCC3)C2)cc1F ZINC001209253039 1133996571 /nfs/dbraw/zinc/99/65/71/1133996571.db2.gz PJLHCYDVDHXYPH-UHFFFAOYSA-N 0 1 269.310 3.522 20 0 CHADMN C[C@@H](O)c1cccc(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214799081 1134574808 /nfs/dbraw/zinc/57/48/08/1134574808.db2.gz KTXFCUGKWJDISI-MRVPVSSYSA-N 0 1 281.714 3.982 20 0 CHADMN COc1cncc(CN(C)[C@@H](C)c2cccs2)c1C ZINC000637919917 1129237087 /nfs/dbraw/zinc/23/70/87/1129237087.db2.gz OEXWTSPOUMFGMS-LBPRGKRZSA-N 0 1 276.405 3.653 20 0 CHADMN COc1ccc(CN(Cc2ccccc2OC)C2CC2)cc1 ZINC000536629236 1125510220 /nfs/dbraw/zinc/51/02/20/1125510220.db2.gz ZGSLRMYNTQOUBD-UHFFFAOYSA-N 0 1 297.398 3.868 20 0 CHADMN CC(C)C[C@H]1CCCN1Cc1noc(-c2ccsc2)n1 ZINC000134126306 1125515771 /nfs/dbraw/zinc/51/57/71/1125515771.db2.gz WLDHUQMHQIUKBX-CYBMUJFWSA-N 0 1 291.420 3.809 20 0 CHADMN CS[C@H]1CCCCN(Cc2nc3ccc(F)cc3o2)C1 ZINC000134551218 1125519103 /nfs/dbraw/zinc/51/91/03/1125519103.db2.gz UHUMFAKIKFQJAO-LBPRGKRZSA-N 0 1 294.395 3.684 20 0 CHADMN Cl/C=C/CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000135122513 1125521153 /nfs/dbraw/zinc/52/11/53/1125521153.db2.gz BVIMBOCVEHBRHQ-WNPFHQFXSA-N 0 1 276.767 3.760 20 0 CHADMN c1csc(CN2CCC[C@H](c3ccccc3)CC2)n1 ZINC000135034394 1125522018 /nfs/dbraw/zinc/52/20/18/1125522018.db2.gz VMSFALQEVFQDLD-HNNXBMFYSA-N 0 1 272.417 3.913 20 0 CHADMN CC(C)CC[C@H]1CCCN1Cc1nnc(C(C)C)o1 ZINC000135309458 1125524168 /nfs/dbraw/zinc/52/41/68/1125524168.db2.gz KHMFSVQDVRCWMH-CYBMUJFWSA-N 0 1 265.401 3.594 20 0 CHADMN CCc1nnc(CN[C@H]2CCCC[C@@H]2Cc2ccccc2)o1 ZINC000119019801 1125527544 /nfs/dbraw/zinc/52/75/44/1125527544.db2.gz LPIJXBCAZOIRCS-CVEARBPZSA-N 0 1 299.418 3.523 20 0 CHADMN c1sc2ccccc2c1CN1CCOCC12CCC2 ZINC000135502864 1125528054 /nfs/dbraw/zinc/52/80/54/1125528054.db2.gz DEMFFJCKNBXHKY-UHFFFAOYSA-N 0 1 273.401 3.656 20 0 CHADMN COc1ccc(C[N@@H+](C)Cc2csc(C)c2C)cc1O ZINC000637964615 1129238091 /nfs/dbraw/zinc/23/80/91/1129238091.db2.gz BHPZDSQRUXPHTM-UHFFFAOYSA-N 0 1 291.416 3.711 20 0 CHADMN COc1ccc(CN(C)Cc2csc(C)c2C)cc1O ZINC000637964615 1129238095 /nfs/dbraw/zinc/23/80/95/1129238095.db2.gz BHPZDSQRUXPHTM-UHFFFAOYSA-N 0 1 291.416 3.711 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)C1CCC1)c1cnccn1 ZINC000119255080 1125530505 /nfs/dbraw/zinc/53/05/05/1125530505.db2.gz PAYUQFUQSGQSBJ-CXAGYDPISA-N 0 1 267.376 3.669 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000532711447 1125544138 /nfs/dbraw/zinc/54/41/38/1125544138.db2.gz BVACSGYCWWKOOF-IAQYHMDHSA-N 0 1 297.345 3.603 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000532711449 1125544197 /nfs/dbraw/zinc/54/41/97/1125544197.db2.gz BVACSGYCWWKOOF-NHYWBVRUSA-N 0 1 297.345 3.603 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(C)cc2OC)cc1 ZINC000119857767 1125539130 /nfs/dbraw/zinc/53/91/30/1125539130.db2.gz WHYWPIHUQYRWOE-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN CCCc1noc(CN2CC[C@H](c3ccc(C)cc3C)C2)n1 ZINC000348317731 1125542633 /nfs/dbraw/zinc/54/26/33/1125542633.db2.gz LETNASNGSMTULV-HNNXBMFYSA-N 0 1 299.418 3.628 20 0 CHADMN CC(C)Oc1cccc(C[N@@H+](C)Cc2ccccn2)c1 ZINC000120640992 1125548814 /nfs/dbraw/zinc/54/88/14/1125548814.db2.gz ZRGHGDNYMPLNIT-UHFFFAOYSA-N 0 1 270.376 3.501 20 0 CHADMN CC(C)Oc1cccc(CN(C)Cc2ccccn2)c1 ZINC000120640992 1125548819 /nfs/dbraw/zinc/54/88/19/1125548819.db2.gz ZRGHGDNYMPLNIT-UHFFFAOYSA-N 0 1 270.376 3.501 20 0 CHADMN Cc1cccnc1[C@H](N[C@H](C)c1cncc(F)c1)C(C)C ZINC000120611232 1125549005 /nfs/dbraw/zinc/54/90/05/1125549005.db2.gz AQNVDOZLLKRMSF-CZUORRHYSA-N 0 1 287.382 3.972 20 0 CHADMN Fc1ccc([C@H](NCc2ccccn2)C2CCC2)cc1 ZINC000105431162 1125564564 /nfs/dbraw/zinc/56/45/64/1125564564.db2.gz NJNWRMYJIXOOTP-QGZVFWFLSA-N 0 1 270.351 3.852 20 0 CHADMN COc1cccc(C2CCN(Cc3ccns3)CC2)c1 ZINC000637993254 1129239334 /nfs/dbraw/zinc/23/93/34/1129239334.db2.gz KJIRIRLREZBQDA-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN CC[C@H](NCc1ccc(C)nn1)c1ccc(Cl)cc1 ZINC000396648211 1125566970 /nfs/dbraw/zinc/56/69/70/1125566970.db2.gz RTTKHILSXOAGLB-HNNXBMFYSA-N 0 1 275.783 3.679 20 0 CHADMN CO[C@@H](C)c1nc(CN2CCCC[C@@H]2C(C)C)cs1 ZINC000245465248 1125573114 /nfs/dbraw/zinc/57/31/14/1125573114.db2.gz IKZUNOMJRBFXIC-GXTWGEPZSA-N 0 1 282.453 3.861 20 0 CHADMN C[C@@H]1CCN(Cc2cccnc2)[C@H]1c1cccc(F)c1 ZINC000245466391 1125573469 /nfs/dbraw/zinc/57/34/69/1125573469.db2.gz JFAUZNJUSGNZJU-CXAGYDPISA-N 0 1 270.351 3.804 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2C[C@H](C)CC[C@H]2C)c(C)c1 ZINC000245450767 1125575143 /nfs/dbraw/zinc/57/51/43/1125575143.db2.gz OXJNKWJCIUFWCE-MLGOLLRUSA-N 0 1 288.435 3.671 20 0 CHADMN C[C@H]1CC(CCN2CC[S@](=O)C(C)(C)CC2)C[C@H](C)C1 ZINC001307770479 1125579374 /nfs/dbraw/zinc/57/93/74/1125579374.db2.gz DWFKIRBHHTVMMV-SXGZJXTBSA-N 0 1 299.524 3.682 20 0 CHADMN CCCCN(CC)Cc1nc(C)c2ccccc2n1 ZINC000532756688 1125579983 /nfs/dbraw/zinc/57/99/83/1125579983.db2.gz GRHFPESPKBMLEX-UHFFFAOYSA-N 0 1 257.381 3.560 20 0 CHADMN CC(C)CC[C@H]1CCCN1Cc1nnc(C(C)(C)C)o1 ZINC000135313604 1125585822 /nfs/dbraw/zinc/58/58/22/1125585822.db2.gz XPRGRGXCQKVFDS-CYBMUJFWSA-N 0 1 279.428 3.768 20 0 CHADMN C[C@H]1CCCCN1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000532913383 1125588513 /nfs/dbraw/zinc/58/85/13/1125588513.db2.gz MTFJGRWPUWCZKN-HNNXBMFYSA-N 0 1 295.430 3.735 20 0 CHADMN C[C@H](N(C)Cc1ccn(C2CCCC2)n1)C(C)(C)C ZINC000532927640 1125588964 /nfs/dbraw/zinc/58/89/64/1125588964.db2.gz GYVOPEKZBRMCBX-ZDUSSCGKSA-N 0 1 263.429 3.865 20 0 CHADMN CCn1nccc1CN1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000245717456 1125590674 /nfs/dbraw/zinc/59/06/74/1125590674.db2.gz HGMJJWKEZKYGCS-GUYCJALGSA-N 0 1 287.382 3.625 20 0 CHADMN C[C@@H]1CCN(Cc2csc(-c3ccoc3)n2)C[C@H]1C ZINC000245958151 1125599889 /nfs/dbraw/zinc/59/98/89/1125599889.db2.gz UKFHNHUAVFKMEG-VXGBXAGGSA-N 0 1 276.405 3.881 20 0 CHADMN CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(C)cc2F)C1 ZINC000042145632 1125606623 /nfs/dbraw/zinc/60/66/23/1125606623.db2.gz WNKRBKCLRZHNLW-UONOGXRCSA-N 0 1 292.398 3.583 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000533448371 1125609386 /nfs/dbraw/zinc/60/93/86/1125609386.db2.gz LBSDRLAOXTZOGV-VXGBXAGGSA-N 0 1 291.826 3.847 20 0 CHADMN CN(Cc1ccc(Cl)cc1Cl)C[C@H]1CCC[C@H]1O ZINC000533669063 1125621465 /nfs/dbraw/zinc/62/14/65/1125621465.db2.gz USVSJHXKAYKODP-BXUZGUMPSA-N 0 1 288.218 3.586 20 0 CHADMN C[C@@H]1CN(Cc2csc3ccccc23)[C@H](C)CO1 ZINC000066420885 1125622473 /nfs/dbraw/zinc/62/24/73/1125622473.db2.gz BCKRJOSSEMKBQW-VXGBXAGGSA-N 0 1 261.390 3.511 20 0 CHADMN C[C@H](c1ccccc1Cl)N(CCn1cccn1)C1CC1 ZINC000066422166 1125623030 /nfs/dbraw/zinc/62/30/30/1125623030.db2.gz VEHSVDIRFQEOOJ-CYBMUJFWSA-N 0 1 289.810 3.762 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)[N@@H+](C)CC1CCCCC1 ZINC000067962714 1125626301 /nfs/dbraw/zinc/62/63/01/1125626301.db2.gz XKVDTJVNSSCTCJ-LLVKDONJSA-N 0 1 263.385 3.520 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N(C)CC1CCCCC1 ZINC000067962714 1125626305 /nfs/dbraw/zinc/62/63/05/1125626305.db2.gz XKVDTJVNSSCTCJ-LLVKDONJSA-N 0 1 263.385 3.520 20 0 CHADMN Cc1[nH]nc(CNc2cccc(COCC3CC3)c2)c1C ZINC000885943709 1125628668 /nfs/dbraw/zinc/62/86/68/1125628668.db2.gz AOHYESDSHSFARC-UHFFFAOYSA-N 0 1 285.391 3.565 20 0 CHADMN CCCN(C)[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000069092388 1125628845 /nfs/dbraw/zinc/62/88/45/1125628845.db2.gz JPMHHEZFJFXQSW-JTQLQIEISA-N 0 1 279.771 3.793 20 0 CHADMN C[C@H](c1ccco1)N(C)C[C@H]1CCC2(CCC2)CO1 ZINC000885967211 1125631744 /nfs/dbraw/zinc/63/17/44/1125631744.db2.gz KASUOISVEUCPND-ZIAGYGMSSA-N 0 1 263.381 3.622 20 0 CHADMN COc1cc(C)cc(CNC2(c3ccccc3)CC2)c1OC ZINC000885977983 1125632753 /nfs/dbraw/zinc/63/27/53/1125632753.db2.gz PTVRSPUCCBHGEB-UHFFFAOYSA-N 0 1 297.398 3.791 20 0 CHADMN CC(C)c1cc(CNC/C=C/c2cccc(F)c2)on1 ZINC000885985396 1125632964 /nfs/dbraw/zinc/63/29/64/1125632964.db2.gz HBFPDPKSCDUTOZ-GQCTYLIASA-N 0 1 274.339 3.740 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1cn2c(cccc2C)n1 ZINC000072901490 1125636355 /nfs/dbraw/zinc/63/63/55/1125636355.db2.gz OJOYMOWVZIHCEB-CYBMUJFWSA-N 0 1 291.464 3.606 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1nccn1C(F)F ZINC000072775912 1125636778 /nfs/dbraw/zinc/63/67/78/1125636778.db2.gz NKFLZRDRIKAISD-NWDGAFQWSA-N 0 1 271.355 3.679 20 0 CHADMN Fc1cccc(/C=C\CNCc2nc(C3CC3)cs2)c1 ZINC000886023127 1125637751 /nfs/dbraw/zinc/63/77/51/1125637751.db2.gz LYWQESNCUBGNAY-RQOWECAXSA-N 0 1 288.391 3.963 20 0 CHADMN COCCN(Cc1cc(-c2cccs2)on1)CC(C)C ZINC000073617012 1125638150 /nfs/dbraw/zinc/63/81/50/1125638150.db2.gz LXXCZILMOYUHPN-UHFFFAOYSA-N 0 1 294.420 3.508 20 0 CHADMN CC[C@H](C)n1ncc(NCc2n[nH]c(C)c2C)c1C1CC1 ZINC000886057751 1125642165 /nfs/dbraw/zinc/64/21/65/1125642165.db2.gz WXAVQMIVDFBMPP-JTQLQIEISA-N 0 1 287.411 3.684 20 0 CHADMN Cc1[nH]nc(CNc2ccc(OC(C)C)cc2F)c1C ZINC000886052061 1125640965 /nfs/dbraw/zinc/64/09/65/1125640965.db2.gz KKIALPZQRMXRHS-UHFFFAOYSA-N 0 1 277.343 3.565 20 0 CHADMN Cc1nc2ccc(NC(=O)CCc3ccc(C)cc3)cc2[nH]1 ZINC000074819703 1125642267 /nfs/dbraw/zinc/64/22/67/1125642267.db2.gz IJIOIKCMYTUZCP-UHFFFAOYSA-N 0 1 293.370 3.751 20 0 CHADMN COCC[C@@H](NC/C=C/c1cccc(F)c1)c1ccco1 ZINC000886059795 1125642304 /nfs/dbraw/zinc/64/23/04/1125642304.db2.gz LUAQOXSATZUISY-WUTVXBCWSA-N 0 1 289.350 3.799 20 0 CHADMN CCc1ccc(NC(=O)c2cccc3nc(C)[nH]c32)cc1 ZINC000074732628 1125642344 /nfs/dbraw/zinc/64/23/44/1125642344.db2.gz HWWJWUKOBOFOPQ-UHFFFAOYSA-N 0 1 279.343 3.686 20 0 CHADMN Cc1[nH]nc(CNc2cnn(CC(C)C)c2C(C)C)c1C ZINC000886057361 1125642482 /nfs/dbraw/zinc/64/24/82/1125642482.db2.gz MONQRPVTXVVJOM-UHFFFAOYSA-N 0 1 289.427 3.615 20 0 CHADMN CCOc1ccccc1NC(=O)c1cccc2nc(C)[nH]c21 ZINC000074732642 1125643069 /nfs/dbraw/zinc/64/30/69/1125643069.db2.gz NTBOAUJHLVJMDK-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN CCN(C(=O)c1cccc2nc(C)[nH]c21)c1ccccc1 ZINC000074732629 1125643127 /nfs/dbraw/zinc/64/31/27/1125643127.db2.gz FXCQCTBOPDVEOV-UHFFFAOYSA-N 0 1 279.343 3.538 20 0 CHADMN Cc1n[nH]c(CNCc2ccc(C3CCC3)cc2)c1C ZINC000886089597 1125644871 /nfs/dbraw/zinc/64/48/71/1125644871.db2.gz FHSVWDFPUSIXCG-UHFFFAOYSA-N 0 1 269.392 3.584 20 0 CHADMN Cc1[nH]nc(CNc2ccc(C)c(OC(C)C)c2)c1C ZINC000886094509 1125646089 /nfs/dbraw/zinc/64/60/89/1125646089.db2.gz UIWROULZBBVQTJ-UHFFFAOYSA-N 0 1 273.380 3.734 20 0 CHADMN CC(C)c1nc(CN2CCC[C@H](C)[C@@H]2C)cs1 ZINC000246658043 1125646687 /nfs/dbraw/zinc/64/66/87/1125646687.db2.gz IWHZYBBUVOFTQM-RYUDHWBXSA-N 0 1 252.427 3.887 20 0 CHADMN CO[C@@H]1CCCN([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000246658334 1125647094 /nfs/dbraw/zinc/64/70/94/1125647094.db2.gz AFKTYYQXVXYKEU-UKRRQHHQSA-N 0 1 286.375 3.513 20 0 CHADMN C[C@@H]1CCN(Cc2cccnc2)[C@@H](c2ccco2)C1 ZINC000246955812 1125651375 /nfs/dbraw/zinc/65/13/75/1125651375.db2.gz AVWIKGWONGZZDQ-UKRRQHHQSA-N 0 1 256.349 3.648 20 0 CHADMN Cc1coc(CN[C@@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000886109921 1125651625 /nfs/dbraw/zinc/65/16/25/1125651625.db2.gz UWGXWRAHUFATFN-INIZCTEOSA-N 0 1 292.810 3.634 20 0 CHADMN Cc1n[nH]c(CNCc2ccc3sccc3c2)c1C ZINC000886118756 1125653168 /nfs/dbraw/zinc/65/31/68/1125653168.db2.gz PAWUACUXVVVSKE-UHFFFAOYSA-N 0 1 271.389 3.531 20 0 CHADMN c1cn(Cc2ccccc2)c(CN2CCC[C@H]3CCC[C@H]32)n1 ZINC000247255017 1125654427 /nfs/dbraw/zinc/65/44/27/1125654427.db2.gz FBILCEDPNFLQGD-QZTJIDSGSA-N 0 1 295.430 3.696 20 0 CHADMN CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CCC[C@H]1C ZINC000247196956 1125654802 /nfs/dbraw/zinc/65/48/02/1125654802.db2.gz BXBHVHYJYYESEY-ZIAGYGMSSA-N 0 1 288.435 3.623 20 0 CHADMN C[C@@H]1CCCCN1Cc1nnc(-c2ccccc2Cl)o1 ZINC000248131790 1125663172 /nfs/dbraw/zinc/66/31/72/1125663172.db2.gz YVBVSYSYOOGICO-LLVKDONJSA-N 0 1 291.782 3.764 20 0 CHADMN C[C@H](N[C@H]1CC[C@H](Cc2ccccc2)C1)c1ncco1 ZINC000886272338 1125666087 /nfs/dbraw/zinc/66/60/87/1125666087.db2.gz NKRLRAXIYVRJQV-IMJJTQAJSA-N 0 1 270.376 3.737 20 0 CHADMN C[C@@H](COCc1ccccc1)CN1Cc2ccc(O)cc2C1 ZINC000886297371 1125667006 /nfs/dbraw/zinc/66/70/06/1125667006.db2.gz PEMKGUMIUCTZCO-OAHLLOKOSA-N 0 1 297.398 3.561 20 0 CHADMN Cc1ccc(CN2CCS[C@@H]3CCCC[C@H]32)c(C)n1 ZINC000248538985 1125667636 /nfs/dbraw/zinc/66/76/36/1125667636.db2.gz AIAMQDZDCXQROY-HZPDHXFCSA-N 0 1 276.449 3.558 20 0 CHADMN Cc1ccc(CN2C[C@@H](C)[C@H]2c2ccccc2)c(C)n1 ZINC000248548008 1125667809 /nfs/dbraw/zinc/66/78/09/1125667809.db2.gz GMNKHKOYONGREM-ACJLOTCBSA-N 0 1 266.388 3.891 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccncc2)o1 ZINC000076120898 1125668638 /nfs/dbraw/zinc/66/86/38/1125668638.db2.gz RHUNWTVRBZLIQP-CJNGLKHVSA-N 0 1 270.376 3.956 20 0 CHADMN C[C@@]1(C(F)(F)F)CCN(CCSC(F)(F)F)C1 ZINC000886314323 1125668877 /nfs/dbraw/zinc/66/88/77/1125668877.db2.gz STYDJUQPWQYLBH-SSDOTTSWSA-N 0 1 281.265 3.514 20 0 CHADMN CCN(c1ccc(N[C@H](C)Cn2cccn2)cc1)C(C)C ZINC000137760482 1125672640 /nfs/dbraw/zinc/67/26/40/1125672640.db2.gz ACNISAXIZURNLM-OAHLLOKOSA-N 0 1 286.423 3.618 20 0 CHADMN Cc1ncsc1CNC(C)(C)c1ccc(F)cc1F ZINC000886349950 1125673337 /nfs/dbraw/zinc/67/33/37/1125673337.db2.gz FHOLUDTUVIQAHD-UHFFFAOYSA-N 0 1 282.359 3.755 20 0 CHADMN C[C@@H](c1ccccn1)N(C)C[C@H]1CCC2(CCCCC2)O1 ZINC000248895573 1125676198 /nfs/dbraw/zinc/67/61/98/1125676198.db2.gz ZSJRDIIMNHMMEN-JKSUJKDBSA-N 0 1 288.435 3.956 20 0 CHADMN CCOc1cccc([C@H](C)N[C@@H]2CCc3cccnc32)c1 ZINC000886517940 1125682519 /nfs/dbraw/zinc/68/25/19/1125682519.db2.gz XNGGLXYRQDZESS-SUMWQHHRSA-N 0 1 282.387 3.818 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccsc2)C1 ZINC000629376075 1125686882 /nfs/dbraw/zinc/68/68/82/1125686882.db2.gz QTOWHANWWBFUTI-VJTBZZIASA-N 0 1 279.405 3.552 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000629376861 1125690347 /nfs/dbraw/zinc/69/03/47/1125690347.db2.gz JYZSAAKASFKWAX-YHUYYLMFSA-N 0 1 281.440 3.778 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCc3cccnc32)ccc1F ZINC000886550284 1125690694 /nfs/dbraw/zinc/69/06/94/1125690694.db2.gz WUUNJWXGYUMSKQ-MLGOLLRUSA-N 0 1 270.351 3.867 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CCCCCC2)[C@H]2CCC[C@@H]21 ZINC000629378644 1125694764 /nfs/dbraw/zinc/69/47/64/1125694764.db2.gz SPABVNVJNJZGBR-ZACQAIPSSA-N 0 1 293.451 3.922 20 0 CHADMN Fc1cccc2c1CCC[C@@H]2N[C@H]1CCc2cccnc21 ZINC000886615651 1125698286 /nfs/dbraw/zinc/69/82/86/1125698286.db2.gz KUMQMMLAGPLJBH-IRXDYDNUSA-N 0 1 282.362 3.875 20 0 CHADMN Fc1cccc2c1CCC[C@@H]2N[C@@H]1CCc2cccnc21 ZINC000886615649 1125698364 /nfs/dbraw/zinc/69/83/64/1125698364.db2.gz KUMQMMLAGPLJBH-DLBZAZTESA-N 0 1 282.362 3.875 20 0 CHADMN CC(C)(C)c1ccncc1CN[C@@H]1CCc2cccnc21 ZINC000886625419 1125699371 /nfs/dbraw/zinc/69/93/71/1125699371.db2.gz QNOCWSMBBSTIDN-MRXNPFEDSA-N 0 1 281.403 3.551 20 0 CHADMN CSCCN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000255956527 1125724407 /nfs/dbraw/zinc/72/44/07/1125724407.db2.gz KFIDKKUZLIMLBQ-RISCZKNCSA-N 0 1 265.422 3.730 20 0 CHADMN Clc1ccncc1CN1CCCC2(CCCC2)C1 ZINC001137231518 1125729210 /nfs/dbraw/zinc/72/92/10/1125729210.db2.gz NYVIIVJTODLHHU-UHFFFAOYSA-N 0 1 264.800 3.891 20 0 CHADMN CCCN(Cc1c(C)onc1CC)Cc1ccccc1 ZINC000162194368 1125742286 /nfs/dbraw/zinc/74/22/86/1125742286.db2.gz NXRMLSIUEZVNIW-UHFFFAOYSA-N 0 1 272.392 3.958 20 0 CHADMN C[C@H](N[C@H]1CCO[C@H]1C)c1nc(-c2ccccc2)cs1 ZINC000089553682 1125735411 /nfs/dbraw/zinc/73/54/11/1125735411.db2.gz PVKYHUSWHRWPKV-OBJOEFQTSA-N 0 1 288.416 3.638 20 0 CHADMN COC[C@@H](N[C@@H](C)c1cnn(C(C)C)c1)c1ccccc1 ZINC000089668913 1125737296 /nfs/dbraw/zinc/73/72/96/1125737296.db2.gz LFQKVHZDYUBXFZ-WMLDXEAASA-N 0 1 287.407 3.502 20 0 CHADMN COC[C@@H](N[C@@H](c1cccc(C)c1)c1ccccn1)C(C)C ZINC000090946657 1125747061 /nfs/dbraw/zinc/74/70/61/1125747061.db2.gz XDLRSCYAIUMJOG-MOPGFXCFSA-N 0 1 298.430 3.740 20 0 CHADMN C[C@H](NCCc1ccc(Cl)cc1)c1cscn1 ZINC000162301688 1125748175 /nfs/dbraw/zinc/74/81/75/1125748175.db2.gz ATUPFTKRFRBWEG-JTQLQIEISA-N 0 1 266.797 3.690 20 0 CHADMN C[C@H](NC1(C2CC2)CCC1)c1noc(-c2ccccc2)n1 ZINC000887148785 1125754944 /nfs/dbraw/zinc/75/49/44/1125754944.db2.gz WBLBHOROKLQRSM-LBPRGKRZSA-N 0 1 283.375 3.720 20 0 CHADMN C[C@H](c1cccnc1)N1Cc2ccccc2OC2(CCC2)C1 ZINC000887151226 1125755712 /nfs/dbraw/zinc/75/57/12/1125755712.db2.gz OQPRSXOCHQTRMG-OAHLLOKOSA-N 0 1 294.398 3.960 20 0 CHADMN c1csc([C@H]2CN(Cc3cccc4[nH]ccc43)CCO2)c1 ZINC000092594940 1125759614 /nfs/dbraw/zinc/75/96/14/1125759614.db2.gz LHQOZHLSZINOSM-MRXNPFEDSA-N 0 1 298.411 3.803 20 0 CHADMN Cc1cccnc1CN(Cc1ccc(F)cc1)C1CC1 ZINC000093157576 1125765174 /nfs/dbraw/zinc/76/51/74/1125765174.db2.gz WOAKIRBAJUNPJC-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN COc1ccccc1CN(C)[C@H](C)c1sc(C)nc1C ZINC000093275579 1125766007 /nfs/dbraw/zinc/76/60/07/1125766007.db2.gz XOOVWSHDZOGZNT-GFCCVEGCSA-N 0 1 290.432 3.962 20 0 CHADMN CCN(C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C1CC1 ZINC000093351759 1125769386 /nfs/dbraw/zinc/76/93/86/1125769386.db2.gz ZSMMVCFMMJWRNX-UHFFFAOYSA-N 0 1 294.305 3.517 20 0 CHADMN c1cc2c(cccc2CN2CCO[C@H](c3ccsc3)C2)[nH]1 ZINC000093768667 1125772663 /nfs/dbraw/zinc/77/26/63/1125772663.db2.gz CQGIAHWAFXGUFC-KRWDZBQOSA-N 0 1 298.411 3.803 20 0 CHADMN Fc1ccc(F)c(CN(Cc2cnc[nH]2)C2CCCC2)c1 ZINC000093864533 1125775049 /nfs/dbraw/zinc/77/50/49/1125775049.db2.gz TVFGAFQDKMVEAM-UHFFFAOYSA-N 0 1 291.345 3.633 20 0 CHADMN CCc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)cn1 ZINC000348408013 1125775964 /nfs/dbraw/zinc/77/59/64/1125775964.db2.gz LRVSHSBPFBCETB-CYBMUJFWSA-N 0 1 286.341 3.807 20 0 CHADMN CCc1ccc(CN2CC[C@@H](C(F)(F)F)C2(C)C)cn1 ZINC000348408013 1125775968 /nfs/dbraw/zinc/77/59/68/1125775968.db2.gz LRVSHSBPFBCETB-CYBMUJFWSA-N 0 1 286.341 3.807 20 0 CHADMN COc1ccncc1CN[C@H](C)c1ccc(Cl)cc1 ZINC000287617912 1125783000 /nfs/dbraw/zinc/78/30/00/1125783000.db2.gz FAZCGDRUBBNATA-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN FC(F)(F)COc1ccccc1CNC1CC(F)(F)C1 ZINC000428650026 1125784225 /nfs/dbraw/zinc/78/42/25/1125784225.db2.gz HQWALMKDKAXXLK-UHFFFAOYSA-N 0 1 295.251 3.515 20 0 CHADMN FC(F)c1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)cn1 ZINC000638121378 1129245295 /nfs/dbraw/zinc/24/52/95/1129245295.db2.gz KTQSGPWUBZLXOG-UONOGXRCSA-N 0 1 298.402 3.879 20 0 CHADMN Fc1cc(CN2CC3(C2)CCCC3)cc(N2CCCC2)c1 ZINC001238703588 1131233384 /nfs/dbraw/zinc/23/33/84/1131233384.db2.gz IQWGJQRMGGEDKY-UHFFFAOYSA-N 0 1 288.410 3.802 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CCC[C@H](CF)C1 ZINC001238700360 1131233592 /nfs/dbraw/zinc/23/35/92/1131233592.db2.gz BDIOQUXRMSWAOV-CYBMUJFWSA-N 0 1 283.362 3.794 20 0 CHADMN COc1ncc(CN[C@@H](C)c2cc(C)cc(C)c2)s1 ZINC000638532089 1129261705 /nfs/dbraw/zinc/26/17/05/1129261705.db2.gz KRFGLCCHALWXHM-LBPRGKRZSA-N 0 1 276.405 3.619 20 0 CHADMN CC1(C)SC[C@@H]1NCc1csc(-c2ccsc2)n1 ZINC000282637665 1129274019 /nfs/dbraw/zinc/27/40/19/1129274019.db2.gz GSZWTWRAJROHSJ-NSHDSACASA-N 0 1 296.486 3.855 20 0 CHADMN CC(F)(F)C1(C(=O)Nc2cc(F)cc(Cl)c2O)CC1 ZINC001118694840 1131234381 /nfs/dbraw/zinc/23/43/81/1131234381.db2.gz XVEHSWHXQNIXSW-UHFFFAOYSA-N 0 1 293.672 3.559 20 0 CHADMN CN(Cc1nccs1)CC(C)(C)c1ccccc1 ZINC000180370848 1129471037 /nfs/dbraw/zinc/47/10/37/1129471037.db2.gz RTIRRCVWTNUJRS-UHFFFAOYSA-N 0 1 260.406 3.553 20 0 CHADMN CO[C@@H](C)c1cccc(N[C@@H](C)c2cn[nH]c2C)c1 ZINC000181210393 1129542854 /nfs/dbraw/zinc/54/28/54/1129542854.db2.gz AHJNRFZAIUAOAX-JQWIXIFHSA-N 0 1 259.353 3.599 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)CN(C)CC(C)C)cc1 ZINC000744219895 1129560471 /nfs/dbraw/zinc/56/04/71/1129560471.db2.gz DVUYRUKJLHTONZ-CQSZACIVSA-N 0 1 276.424 3.726 20 0 CHADMN CC(C)=C(C)CC(=O)Nc1cc2cn[nH]c2cc1C ZINC000635845761 1129191998 /nfs/dbraw/zinc/19/19/98/1129191998.db2.gz PLSUCAVFKVUBTM-UHFFFAOYSA-N 0 1 257.337 3.556 20 0 CHADMN CSc1ccccc1CN1C[C@@H](C)OCC12CCC2 ZINC000649822789 1129679779 /nfs/dbraw/zinc/67/97/79/1129679779.db2.gz PKGNMTYYIXLHJU-CYBMUJFWSA-N 0 1 277.433 3.552 20 0 CHADMN COc1ccc(Cl)cc1CN1CC[C@@]2(CC2(F)F)C1 ZINC000649899985 1129684068 /nfs/dbraw/zinc/68/40/68/1129684068.db2.gz RBTLCQLPIMBPMB-CYBMUJFWSA-N 0 1 287.737 3.580 20 0 CHADMN COC(=O)[C@@H](NCC1CCCCCC1)C1CCCCC1 ZINC001169054586 1129693083 /nfs/dbraw/zinc/69/30/83/1129693083.db2.gz AYZSTHBXPYDGQD-INIZCTEOSA-N 0 1 281.440 3.668 20 0 CHADMN COc1ccc(CN2CC[C@@]3(CC3(F)F)C2)cc1Cl ZINC000649907409 1129686628 /nfs/dbraw/zinc/68/66/28/1129686628.db2.gz QTPVRKDSGDZKJH-CYBMUJFWSA-N 0 1 287.737 3.580 20 0 CHADMN CSc1ncc(C)cc1CN1CCCC(F)(F)CC1 ZINC001238713556 1131235847 /nfs/dbraw/zinc/23/58/47/1131235847.db2.gz OQFFIVPZRYHQJE-UHFFFAOYSA-N 0 1 286.391 3.733 20 0 CHADMN CCOC(CN(CC)[C@@H](C)c1ccccc1F)OCC ZINC000767774566 1129812490 /nfs/dbraw/zinc/81/24/90/1129812490.db2.gz OXEXWABXJSRTJK-ZDUSSCGKSA-N 0 1 283.387 3.608 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000901469400 1129927697 /nfs/dbraw/zinc/92/76/97/1129927697.db2.gz VIUGXVPCVAVJBD-WMLDXEAASA-N 0 1 281.440 3.636 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2ccc(C(F)(F)F)c(C)c2)[nH]1 ZINC000621888326 1129203855 /nfs/dbraw/zinc/20/38/55/1129203855.db2.gz DIRLEBNFSIQHBV-UHFFFAOYSA-N 0 1 297.280 3.606 20 0 CHADMN CCCN(Cc1ccccc1)Cc1cnc(Cl)cn1 ZINC000384358899 1130066267 /nfs/dbraw/zinc/06/62/67/1130066267.db2.gz SKLJNWZGEVCPEP-UHFFFAOYSA-N 0 1 275.783 3.542 20 0 CHADMN CC(C)c1ccc(CN2CCC3(CC3)C2)c(Cl)n1 ZINC001238722962 1131237065 /nfs/dbraw/zinc/23/70/65/1131237065.db2.gz UIUPJVSIBDEBPJ-UHFFFAOYSA-N 0 1 264.800 3.844 20 0 CHADMN C[C@H](CN(C)CCF)Oc1ccc(Cl)c(Cl)c1 ZINC000787342718 1130147925 /nfs/dbraw/zinc/14/79/25/1130147925.db2.gz ODNNENIHWDGCMI-SECBINFHSA-N 0 1 280.170 3.662 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccncc1F)c1ccsc1 ZINC000338021546 1126711477 /nfs/dbraw/zinc/71/14/77/1126711477.db2.gz QBKICIWGBMBLDK-ZJUUUORDSA-N 0 1 250.342 3.694 20 0 CHADMN Cc1cc(CN(C)Cc2ccccc2F)cc(C)c1O ZINC000555914363 1126712124 /nfs/dbraw/zinc/71/21/24/1126712124.db2.gz SMDSAPDFYWCOER-UHFFFAOYSA-N 0 1 273.351 3.780 20 0 CHADMN CC[C@@H](CN(CC)Cc1ncc(C)cn1)c1ccccc1 ZINC000481759367 1126712228 /nfs/dbraw/zinc/71/22/28/1126712228.db2.gz XLAWZCRSVUXFSN-INIZCTEOSA-N 0 1 283.419 3.801 20 0 CHADMN Cc1cccc(OCCSc2nc(C(C)(C)C)n[nH]2)c1 ZINC000192880467 1126717367 /nfs/dbraw/zinc/71/73/67/1126717367.db2.gz HWVMLSMZKMMDHJ-UHFFFAOYSA-N 0 1 291.420 3.582 20 0 CHADMN Cc1cccc(OCCSc2n[nH]c(C(C)(C)C)n2)c1 ZINC000192880467 1126717370 /nfs/dbraw/zinc/71/73/70/1126717370.db2.gz HWVMLSMZKMMDHJ-UHFFFAOYSA-N 0 1 291.420 3.582 20 0 CHADMN c1ccc(Cc2noc([C@@H]3NCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000899995253 1126721607 /nfs/dbraw/zinc/72/16/07/1126721607.db2.gz XNZCWEMHYWLCBE-BFYDXBDKSA-N 0 1 297.402 3.501 20 0 CHADMN Cc1nc([C@H](C)SCc2cccc3cccnc32)n[nH]1 ZINC000600590322 1126721763 /nfs/dbraw/zinc/72/17/63/1126721763.db2.gz JDKHFFPREHEJGF-JTQLQIEISA-N 0 1 284.388 3.656 20 0 CHADMN CC(C)c1nc(CSCc2cccc3cccnc32)n[nH]1 ZINC000600590788 1126721798 /nfs/dbraw/zinc/72/17/98/1126721798.db2.gz LDLKEACIKHBXCA-UHFFFAOYSA-N 0 1 298.415 3.910 20 0 CHADMN c1ccc(-c2noc([C@@H]3NCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000899993201 1126721806 /nfs/dbraw/zinc/72/18/06/1126721806.db2.gz DDRGECASPXXPNP-VHDGCEQUSA-N 0 1 283.375 3.577 20 0 CHADMN CCN(Cc1ccc(Cl)cc1)Cc1ccc(OC)cn1 ZINC000338236797 1126726255 /nfs/dbraw/zinc/72/62/55/1126726255.db2.gz TUOMSPCVMSUXGS-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN COc1ccc(CN(C)Cc2csc3ccccc23)nc1 ZINC000338234185 1126726690 /nfs/dbraw/zinc/72/66/90/1126726690.db2.gz YVLXVHLZNVIIPV-UHFFFAOYSA-N 0 1 298.411 3.937 20 0 CHADMN Fc1ccc2nc(-c3ccc(-n4cccn4)cc3)[nH]c2c1 ZINC000338234072 1126726996 /nfs/dbraw/zinc/72/69/96/1126726996.db2.gz VSUNFHIFAHEIQF-UHFFFAOYSA-N 0 1 278.290 3.555 20 0 CHADMN C[C@H]1CCCN(Cc2cc(Cl)ccc2Cl)[C@@H]1CO ZINC000676766965 1130270206 /nfs/dbraw/zinc/27/02/06/1130270206.db2.gz VWNPHWHWWKPJBV-IINYFYTJSA-N 0 1 288.218 3.586 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@H](CC(C)C)C2)s1 ZINC000338271914 1126729628 /nfs/dbraw/zinc/72/96/28/1126729628.db2.gz AHWQQMOYRAWWLF-DGCLKSJQSA-N 0 1 267.442 3.666 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@H](CC(C)C)C2)s1 ZINC000338271915 1126729817 /nfs/dbraw/zinc/72/98/17/1126729817.db2.gz AHWQQMOYRAWWLF-WCQYABFASA-N 0 1 267.442 3.666 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1N[C@@H](C)c1nnc(C)s1 ZINC000338276255 1126730104 /nfs/dbraw/zinc/73/01/04/1126730104.db2.gz APTBXWBZOCSUDJ-MVWJERBFSA-N 0 1 285.482 3.561 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@@H](C(C)C)CC2)s1 ZINC000338309993 1126732673 /nfs/dbraw/zinc/73/26/73/1126732673.db2.gz WPNBEHLMBHCTLP-WCQYABFASA-N 0 1 267.442 3.666 20 0 CHADMN C[C@@H](C1CCCCC1)N(C)C(=O)c1cccc2c[nH]nc21 ZINC000338334372 1126734820 /nfs/dbraw/zinc/73/48/20/1126734820.db2.gz XDBGKKPPEATGBL-LBPRGKRZSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1cccc2nc(-c3ccc4nsnc4c3)[nH]c21 ZINC000201648229 1126737082 /nfs/dbraw/zinc/73/70/82/1126737082.db2.gz XTFCWJRAVVYVNY-UHFFFAOYSA-N 0 1 266.329 3.543 20 0 CHADMN CCCc1cccc(CN(C)Cc2ccc(OC)c(O)c2)c1 ZINC000482003201 1126737727 /nfs/dbraw/zinc/73/77/27/1126737727.db2.gz DBUPDKMCTJNXCC-UHFFFAOYSA-N 0 1 299.414 3.985 20 0 CHADMN COCC[C@@H](N[C@H](C)c1ccncc1F)c1ccccc1 ZINC000338364647 1126737913 /nfs/dbraw/zinc/73/79/13/1126737913.db2.gz DQCRLHPDRMYNRG-CXAGYDPISA-N 0 1 288.366 3.649 20 0 CHADMN c1sc(CN2CCCSCC2)nc1-c1ccccc1 ZINC000348480228 1126739164 /nfs/dbraw/zinc/73/91/64/1126739164.db2.gz QCIFOOUNBUPTRC-UHFFFAOYSA-N 0 1 290.457 3.749 20 0 CHADMN Cn1cncc1CN[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000150868743 1126746943 /nfs/dbraw/zinc/74/69/43/1126746943.db2.gz WHLZEVRMXABRHP-HNNXBMFYSA-N 0 1 293.361 3.575 20 0 CHADMN CCOc1ccc(Cl)cc1[C@H](C)NCc1cccnc1 ZINC000151084122 1126750527 /nfs/dbraw/zinc/75/05/27/1126750527.db2.gz BRTPCYYJEFQHGY-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN C[C@H](Nc1cnn(-c2ccncc2)c1)c1ccccc1F ZINC000679127313 1126752902 /nfs/dbraw/zinc/75/29/02/1126752902.db2.gz LPHRLNXWFMJJCL-LBPRGKRZSA-N 0 1 282.322 3.580 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccc(OC)c(OC)c2)o1 ZINC000151599275 1126755437 /nfs/dbraw/zinc/75/54/37/1126755437.db2.gz JNUCRHMERCZROC-GFCCVEGCSA-N 0 1 289.375 3.710 20 0 CHADMN COCc1csc(CN2CCc3cc(C)ccc3C2)c1 ZINC000668052457 1126757742 /nfs/dbraw/zinc/75/77/42/1126757742.db2.gz SLMMBOAQYWGEJP-UHFFFAOYSA-N 0 1 287.428 3.761 20 0 CHADMN Clc1oc2ccccc2c1CNCC1=CCCOC1 ZINC000288341808 1126758872 /nfs/dbraw/zinc/75/88/72/1126758872.db2.gz BKEKCQSEOXUMNZ-UHFFFAOYSA-N 0 1 277.751 3.523 20 0 CHADMN C[C@@H]1CCC[C@H](NCc2noc(-c3ccsc3)n2)[C@@H]1C ZINC000162946124 1126759013 /nfs/dbraw/zinc/75/90/13/1126759013.db2.gz GHPGKDQRMILUSM-WZRBSPASSA-N 0 1 291.420 3.712 20 0 CHADMN CCCC1CCC(N(C)Cc2cn(C3CCC3)nn2)CC1 ZINC000668055977 1126759427 /nfs/dbraw/zinc/75/94/27/1126759427.db2.gz PHGWDQYCBIFHJE-UHFFFAOYSA-N 0 1 290.455 3.794 20 0 CHADMN COCc1csc(CN(C)Cc2ccc(F)cc2C)c1 ZINC000668056388 1126760033 /nfs/dbraw/zinc/76/00/33/1126760033.db2.gz ACWZEHRNKQQQKM-UHFFFAOYSA-N 0 1 293.407 3.974 20 0 CHADMN C[C@@H]1CC[C@H](N(C)Cc2nnc(-c3ccccc3)s2)C1 ZINC000429565088 1126762158 /nfs/dbraw/zinc/76/21/58/1126762158.db2.gz GWSQXOXMFIQPIV-OCCSQVGLSA-N 0 1 287.432 3.826 20 0 CHADMN CC(C)COc1ccccc1CN[C@H](C)c1ccncc1 ZINC000173985543 1126764928 /nfs/dbraw/zinc/76/49/28/1126764928.db2.gz VHYPHJAZECTQAT-OAHLLOKOSA-N 0 1 284.403 3.967 20 0 CHADMN CCOc1ccc2nc(SCc3nccs3)[nH]c2c1 ZINC000162254505 1126769345 /nfs/dbraw/zinc/76/93/45/1126769345.db2.gz PPEPYQXMWAVTCV-UHFFFAOYSA-N 0 1 291.401 3.710 20 0 CHADMN CC(C)Cc1noc(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)n1 ZINC000483262147 1126775605 /nfs/dbraw/zinc/77/56/05/1126775605.db2.gz VTAXZTZTZRWZPO-CYBMUJFWSA-N 0 1 279.428 3.526 20 0 CHADMN CC(C)Cc1noc(CN2CCC[C@@H](C(C)(C)C)C2)n1 ZINC000483262147 1126775607 /nfs/dbraw/zinc/77/56/07/1126775607.db2.gz VTAXZTZTZRWZPO-CYBMUJFWSA-N 0 1 279.428 3.526 20 0 CHADMN COC1(CN2CCc3ccc(F)c(F)c3C2)CCCCC1 ZINC000483248942 1126774951 /nfs/dbraw/zinc/77/49/51/1126774951.db2.gz SJUFJWKUVDJHEO-UHFFFAOYSA-N 0 1 295.373 3.672 20 0 CHADMN c1csc(C2(NCCOc3ccccc3)CCCC2)n1 ZINC000175012576 1126776404 /nfs/dbraw/zinc/77/64/04/1126776404.db2.gz BOJMFSVTZNIFLH-UHFFFAOYSA-N 0 1 288.416 3.581 20 0 CHADMN CC[C@H]1CCCN1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000483271666 1126777467 /nfs/dbraw/zinc/77/74/67/1126777467.db2.gz NVZNFQYYMHVLME-ZDUSSCGKSA-N 0 1 289.354 3.559 20 0 CHADMN Cc1cnc([C@H](C)N2CC[C@](C)(c3ccc(F)cc3)C2)o1 ZINC000483400467 1126784944 /nfs/dbraw/zinc/78/49/44/1126784944.db2.gz CGTQKRIUDWWPHN-GUYCJALGSA-N 0 1 288.366 3.847 20 0 CHADMN CCC[C@@H](CCc1ccccc1)N[C@@H](C)c1nc(C)no1 ZINC000483360029 1126782212 /nfs/dbraw/zinc/78/22/12/1126782212.db2.gz VHRQCCRVGXVZPS-BBRMVZONSA-N 0 1 287.407 3.830 20 0 CHADMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccccc1 ZINC000175410634 1126782389 /nfs/dbraw/zinc/78/23/89/1126782389.db2.gz QBTPWACJJQPWBJ-JLTOFOAXSA-N 0 1 287.428 3.617 20 0 CHADMN Cc1nnc(CN(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)o1 ZINC000175435149 1126782903 /nfs/dbraw/zinc/78/29/03/1126782903.db2.gz JIPZNFZUMVHHDG-GHMZBOCLSA-N 0 1 293.798 3.655 20 0 CHADMN CC[C@@H](C)CO[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001224668818 1126790831 /nfs/dbraw/zinc/79/08/31/1126790831.db2.gz XOUZGALCQIXJPG-HIFRSBDPSA-N 0 1 281.827 3.977 20 0 CHADMN Cc1ccncc1CN[C@@H](C)c1cc(F)cc(F)c1 ZINC000162703213 1126787206 /nfs/dbraw/zinc/78/72/06/1126787206.db2.gz BULIXQHSHRAXTI-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN CCN(Cc1cncn1C)[C@H](C)c1cc2ccccc2o1 ZINC000177021542 1126796118 /nfs/dbraw/zinc/79/61/18/1126796118.db2.gz AMQPLFVTMGNJFU-CYBMUJFWSA-N 0 1 283.375 3.749 20 0 CHADMN CC(C)Oc1ccc(CN2CC[C@H](C)[C@@H](F)C2)cc1 ZINC000679223898 1130503925 /nfs/dbraw/zinc/50/39/25/1130503925.db2.gz MJIFNTSQDDZHFE-BBRMVZONSA-N 0 1 265.372 3.654 20 0 CHADMN c1ccc2sc(CN3CCC4(CCC4)C3)nc2c1 ZINC000176939925 1126795507 /nfs/dbraw/zinc/79/55/07/1126795507.db2.gz AIJMEIQPFSHKTO-UHFFFAOYSA-N 0 1 258.390 3.672 20 0 CHADMN CCCCN(C)Cc1nc(-c2ccccc2)oc1C ZINC000251923360 1126800806 /nfs/dbraw/zinc/80/08/06/1126800806.db2.gz BNPFLFGVQYJYSJ-UHFFFAOYSA-N 0 1 258.365 3.882 20 0 CHADMN CC(C)[C@@H]1CCC[C@@H]1N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000483656462 1126797109 /nfs/dbraw/zinc/79/71/09/1126797109.db2.gz RQKFCNRWDHOMKU-AVGNSLFASA-N 0 1 279.428 3.842 20 0 CHADMN Cc1ccc(OC2CCN([C@H](C)c3ccccn3)CC2)cc1 ZINC000177191959 1126798683 /nfs/dbraw/zinc/79/86/83/1126798683.db2.gz NZNYHSIORUTDIU-MRXNPFEDSA-N 0 1 296.414 3.994 20 0 CHADMN Cc1cccnc1[C@@H](N[C@H](C)c1ccccn1)C(C)C ZINC000177184547 1126799137 /nfs/dbraw/zinc/79/91/37/1126799137.db2.gz HXZOLOVBPQXQOV-ZBFHGGJFSA-N 0 1 269.392 3.833 20 0 CHADMN CCCN1CCC[C@H]1c1nc(-c2ccc(F)c(F)c2)no1 ZINC000483829486 1126802488 /nfs/dbraw/zinc/80/24/88/1126802488.db2.gz ADZKSRVJKPRXHB-ZDUSSCGKSA-N 0 1 293.317 3.562 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1cscn1 ZINC000177543276 1126802656 /nfs/dbraw/zinc/80/26/56/1126802656.db2.gz WOQOTCRAZCCEQC-WFASDCNBSA-N 0 1 258.390 3.521 20 0 CHADMN Fc1c(CN2CC[C@@]3(CC3(F)F)C2)cccc1OC1CC1 ZINC000668292563 1126806973 /nfs/dbraw/zinc/80/69/73/1126806973.db2.gz JAWHDLGXAWZENC-OAHLLOKOSA-N 0 1 297.320 3.598 20 0 CHADMN COc1ncccc1CN[C@H]1CC(C)(C)c2ccccc21 ZINC000177889637 1126806518 /nfs/dbraw/zinc/80/65/18/1126806518.db2.gz QVAKLFHWCIZIRO-INIZCTEOSA-N 0 1 282.387 3.602 20 0 CHADMN c1c2ccccc2oc1[C@@H](N[C@H]1CCOC1)c1ccccc1 ZINC000177860029 1126806775 /nfs/dbraw/zinc/80/67/75/1126806775.db2.gz YQCPSKQHQMLFFX-LPHOPBHVSA-N 0 1 293.366 3.901 20 0 CHADMN Cc1c([C@@H](C)N[C@@H]2CC(C)(C)Cc3occc32)cnn1C ZINC000177959551 1126807923 /nfs/dbraw/zinc/80/79/23/1126807923.db2.gz GLYHWTKWFAJZGB-IAQYHMDHSA-N 0 1 287.407 3.686 20 0 CHADMN CCc1noc(C)c1CN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679542799 1130538226 /nfs/dbraw/zinc/53/82/26/1130538226.db2.gz RYMNYXYRLILIFX-ONGXEEELSA-N 0 1 290.329 3.708 20 0 CHADMN CCc1nc(C)c([C@H](C)NCc2ccc(Cl)nc2)s1 ZINC000178247030 1126810836 /nfs/dbraw/zinc/81/08/36/1126810836.db2.gz CSEIFQCMLOVULP-VIFPVBQESA-N 0 1 295.839 3.913 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](C)c1sc(C)nc1C ZINC000178446844 1126813886 /nfs/dbraw/zinc/81/38/86/1126813886.db2.gz KUQRVGQRBGBCMW-NSHDSACASA-N 0 1 290.432 3.928 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@H]2NCc1ccoc1 ZINC000178474943 1126814621 /nfs/dbraw/zinc/81/46/21/1126814621.db2.gz TWGCDEBBJJQZKX-OAHLLOKOSA-N 0 1 257.333 3.592 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@@H]1CCc3ccccc31)CCO2 ZINC000178464741 1126814689 /nfs/dbraw/zinc/81/46/89/1126814689.db2.gz KVZKGEAKQMKSPK-SJORKVTESA-N 0 1 283.346 3.926 20 0 CHADMN Fc1ccc(C(F)(F)F)c(CN2CCC3(CC3)C2)c1 ZINC001138088155 1130546793 /nfs/dbraw/zinc/54/67/93/1130546793.db2.gz RNTORBWSKXQFJM-UHFFFAOYSA-N 0 1 273.273 3.830 20 0 CHADMN COc1cccc(CN[C@@H]2CCc3cc(Cl)ccc32)n1 ZINC000178755548 1126819290 /nfs/dbraw/zinc/81/92/90/1126819290.db2.gz MVKITCKXBOSPNB-OAHLLOKOSA-N 0 1 288.778 3.521 20 0 CHADMN CC(C)[C@H]([NH2+]Cc1c[nH]cn1)c1ccc(C(F)(F)F)cc1 ZINC000178755061 1126819296 /nfs/dbraw/zinc/81/92/96/1126819296.db2.gz QURAPNHUKVJHBA-AWEZNQCLSA-N 0 1 297.324 3.915 20 0 CHADMN CO[C@@H]1CCCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000680004075 1130570795 /nfs/dbraw/zinc/57/07/95/1130570795.db2.gz XFZZRXKOFOQPBP-GFCCVEGCSA-N 0 1 288.218 3.994 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccc1N(C)C)c1ccccn1 ZINC000179397651 1126827639 /nfs/dbraw/zinc/82/76/39/1126827639.db2.gz JWVUJILIXXQFJT-KBPBESRZSA-N 0 1 269.392 3.559 20 0 CHADMN Clc1cccc(CN[C@H](c2ccccc2)C2CC2)n1 ZINC000179690448 1126832805 /nfs/dbraw/zinc/83/28/05/1126832805.db2.gz LMKQJRRKDOIBFA-MRXNPFEDSA-N 0 1 272.779 3.976 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(-c2ccc(C(C)C)nc2)no1 ZINC000904113488 1126833906 /nfs/dbraw/zinc/83/39/06/1126833906.db2.gz XVBFVONSDGPDAC-AWEZNQCLSA-N 0 1 288.395 3.562 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cnn(C(C)C)c2)cc1 ZINC000179937733 1126836834 /nfs/dbraw/zinc/83/68/34/1126836834.db2.gz PMTFXCYTKCISEA-CQSZACIVSA-N 0 1 287.407 3.666 20 0 CHADMN Clc1cccc(-c2noc(-c3cc4cccnc4[nH]3)n2)c1 ZINC000904289226 1126841683 /nfs/dbraw/zinc/84/16/83/1126841683.db2.gz PWTPYDKFJYHWGQ-UHFFFAOYSA-N 0 1 296.717 3.933 20 0 CHADMN Cc1ccc(-c2noc(-c3cc4cccnc4[nH]3)n2)cc1F ZINC000904336225 1126846208 /nfs/dbraw/zinc/84/62/08/1126846208.db2.gz UGDYXQULBMIIFN-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1cnc(CN2CCC[C@@H]2c2ccccc2)s1 ZINC000180408191 1126843443 /nfs/dbraw/zinc/84/34/43/1126843443.db2.gz YJZZOTZKSXWNKI-CQSZACIVSA-N 0 1 258.390 3.789 20 0 CHADMN Cc1cnc(CN[C@@H]2c3cc(C)ccc3C[C@@H]2C)s1 ZINC000180644909 1126847658 /nfs/dbraw/zinc/84/76/58/1126847658.db2.gz JJNVCGXBENWOGH-ZBEGNZNMSA-N 0 1 272.417 3.783 20 0 CHADMN COC[C@H](N[C@@H](C)c1ccc(Cl)nc1)c1ccccc1 ZINC000180844192 1126849263 /nfs/dbraw/zinc/84/92/63/1126849263.db2.gz JBZZOXXOPYLJEV-WFASDCNBSA-N 0 1 290.794 3.773 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N1CCSC(C)(C)C1 ZINC000181142855 1126852200 /nfs/dbraw/zinc/85/22/00/1126852200.db2.gz SPSOVCPLSMMVBS-LLVKDONJSA-N 0 1 276.405 3.716 20 0 CHADMN CC1=C(C)C[C@](C)(c2nc([C@H](N)C(C)C)no2)CC1 ZINC000904500462 1126854413 /nfs/dbraw/zinc/85/44/13/1126854413.db2.gz MKQCGYCZXIHNGR-IUODEOHRSA-N 0 1 263.385 3.503 20 0 CHADMN C[C@@H](NCc1nnc(-c2ccco2)o1)[C@@H](C)c1ccccc1 ZINC000181523620 1126856824 /nfs/dbraw/zinc/85/68/24/1126856824.db2.gz HBGYZFLSXANCKH-CHWSQXEVSA-N 0 1 297.358 3.611 20 0 CHADMN Cc1csc([C@H](NCCOc2ccccc2)C2CC2)n1 ZINC000181617148 1126858376 /nfs/dbraw/zinc/85/83/76/1126858376.db2.gz KTZQKZGYXYNCAC-OAHLLOKOSA-N 0 1 288.416 3.571 20 0 CHADMN Clc1ccccc1-c1noc(-c2cc3cccnc3[nH]2)n1 ZINC000904568844 1126859580 /nfs/dbraw/zinc/85/95/80/1126859580.db2.gz GVFAACKGOJGMPD-UHFFFAOYSA-N 0 1 296.717 3.933 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1ccc(Cl)cn1 ZINC000182113919 1126865141 /nfs/dbraw/zinc/86/51/41/1126865141.db2.gz FMZFNPNPYBNWGZ-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN C[C@H]1Cc2ccccc2[C@H]1NCc1ccc(Cl)cn1 ZINC000182128791 1126866064 /nfs/dbraw/zinc/86/60/64/1126866064.db2.gz GVWQWSXRSSVKPI-ZBEGNZNMSA-N 0 1 272.779 3.758 20 0 CHADMN C[C@@H](NC1(c2cccc(F)c2)CC1)c1cncc(F)c1 ZINC000182216812 1126868223 /nfs/dbraw/zinc/86/82/23/1126868223.db2.gz FZJDLDOCXXRQPJ-LLVKDONJSA-N 0 1 274.314 3.700 20 0 CHADMN Cc1ccc([C@H](C)NCc2cnc(Cl)s2)cc1 ZINC000182349663 1126870830 /nfs/dbraw/zinc/87/08/30/1126870830.db2.gz XRNYYLZGBJHZQK-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN CCCC[N@@H+](CC)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000485015402 1126875777 /nfs/dbraw/zinc/87/57/77/1126875777.db2.gz SDAJAWRVQQIORP-OAHLLOKOSA-N 0 1 294.826 3.567 20 0 CHADMN Clc1cscc1-c1ccc([C@H]2COCCN2)cc1 ZINC000904895467 1126883394 /nfs/dbraw/zinc/88/33/94/1126883394.db2.gz POYQEXMONKSMSB-CQSZACIVSA-N 0 1 279.792 3.729 20 0 CHADMN Cc1cc(C)c(CN[C@H](c2nccn2C)C2CC2)c(C)c1 ZINC000183261763 1126883933 /nfs/dbraw/zinc/88/39/33/1126883933.db2.gz ODDHMKLRDPCJRI-KRWDZBQOSA-N 0 1 283.419 3.586 20 0 CHADMN C[C@H](O)c1ccc(CN[C@@H](C)c2cccc(F)c2F)cc1 ZINC000183233035 1126884027 /nfs/dbraw/zinc/88/40/27/1126884027.db2.gz ZJAAWOILSPSYCW-RYUDHWBXSA-N 0 1 291.341 3.869 20 0 CHADMN CC(C)(NCc1ccncc1)c1cccc(Cl)c1F ZINC000185848962 1126903653 /nfs/dbraw/zinc/90/36/53/1126903653.db2.gz NTTWCWNPHYGXRL-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN Fc1ccccc1-c1nc(CN2CC3CCC2CC3)co1 ZINC001118817026 1131238285 /nfs/dbraw/zinc/23/82/85/1131238285.db2.gz VNRLTZUSGZDZHF-UHFFFAOYSA-N 0 1 286.350 3.855 20 0 CHADMN CCCN1N=C(c2ccc(C(F)(F)F)cc2)CC1=O ZINC001245916240 1131238282 /nfs/dbraw/zinc/23/82/82/1131238282.db2.gz CZCWVQWLBNAUSG-UHFFFAOYSA-N 0 1 270.254 3.685 20 0 CHADMN Cc1cc(F)c(CN2C[C@@H](C)C[C@H](C)C2)c(F)c1 ZINC001235203249 1130722851 /nfs/dbraw/zinc/72/28/51/1130722851.db2.gz VCQGHVSMTQIDKH-RYUDHWBXSA-N 0 1 253.336 3.751 20 0 CHADMN Clc1cccnc1CN1CC[C@H]2CCCC[C@H]2C1 ZINC001118814495 1131238482 /nfs/dbraw/zinc/23/84/82/1131238482.db2.gz DGOBETXMDHEJBP-OLZOCXBDSA-N 0 1 264.800 3.747 20 0 CHADMN Fc1ccc([C@H](NCCC2CCCC2)c2ncc[nH]2)cc1 ZINC000187723162 1126913371 /nfs/dbraw/zinc/91/33/71/1126913371.db2.gz KHXUHQMBKRYUSJ-INIZCTEOSA-N 0 1 287.382 3.808 20 0 CHADMN CCSc1cc(CN[C@H](C)c2cncc(F)c2)ccn1 ZINC000187791602 1126915130 /nfs/dbraw/zinc/91/51/30/1126915130.db2.gz KLZMRMFHPWLLAY-LLVKDONJSA-N 0 1 291.395 3.579 20 0 CHADMN Fc1ccc([C@@H](NC[C@@H]2CC=CCC2)c2ncc[nH]2)cc1 ZINC000187854068 1126915465 /nfs/dbraw/zinc/91/54/65/1126915465.db2.gz DTRJFJKUISWNMH-CZUORRHYSA-N 0 1 285.366 3.584 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@@H](C)c2nccnc2C)c1 ZINC000187893175 1126916708 /nfs/dbraw/zinc/91/67/08/1126916708.db2.gz ZEEMFCJFBQEYOO-OCCSQVGLSA-N 0 1 285.391 3.596 20 0 CHADMN CCC[C@@H](N[C@H](CCO)c1ccco1)c1ccsc1 ZINC000187923562 1126916729 /nfs/dbraw/zinc/91/67/29/1126916729.db2.gz XKHPCQNXAOUXRR-ZIAGYGMSSA-N 0 1 279.405 3.896 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2nccnc2C)c(C)c1 ZINC000187894868 1126916794 /nfs/dbraw/zinc/91/67/94/1126916794.db2.gz RFAINBPZELUJSR-HNNXBMFYSA-N 0 1 269.392 3.561 20 0 CHADMN CC=C(CC)C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000188302249 1126922398 /nfs/dbraw/zinc/92/23/98/1126922398.db2.gz YNAWNQHEWKOQEF-LGVHXXEASA-N 0 1 285.391 3.733 20 0 CHADMN Cc1ccnc(N[C@H]2C[C@@H](C)O[C@@H](C)C2)c1C1CC1 ZINC000668511111 1126925127 /nfs/dbraw/zinc/92/51/27/1126925127.db2.gz FKICGHPJIMEREG-IMRBUKKESA-N 0 1 260.381 3.635 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1ccc(C(F)F)cc1 ZINC000188472359 1126923893 /nfs/dbraw/zinc/92/38/93/1126923893.db2.gz LRROFZKYIALBRG-NSHDSACASA-N 0 1 277.318 3.573 20 0 CHADMN COCC1(C2CCC2)CN(Cc2ccc(C)c(Cl)c2)C1 ZINC000668514509 1126924804 /nfs/dbraw/zinc/92/48/04/1126924804.db2.gz IYVVJZZUUCMNHZ-UHFFFAOYSA-N 0 1 293.838 3.897 20 0 CHADMN COCC1(C2CCC2)CN(Cc2cc(C)cc(Cl)c2)C1 ZINC000668514290 1126924936 /nfs/dbraw/zinc/92/49/36/1126924936.db2.gz BFUMOKZRHZAHJB-UHFFFAOYSA-N 0 1 293.838 3.897 20 0 CHADMN COCC1(C2CCC2)CN(Cc2ccccc2Cl)C1 ZINC000668513729 1126925778 /nfs/dbraw/zinc/92/57/78/1126925778.db2.gz WRAMSDPSZDVLMX-UHFFFAOYSA-N 0 1 279.811 3.589 20 0 CHADMN Cc1cncc(Br)c1CN1C[C@@H](C)C[C@H](C)C1 ZINC001235643561 1130759622 /nfs/dbraw/zinc/75/96/22/1130759622.db2.gz UCEUKUGVQXKZAQ-QWRGUYRKSA-N 0 1 297.240 3.630 20 0 CHADMN CC(C)Oc1c(CN2C[C@@H]3CCC[C@@H]3C2)ccc(F)c1F ZINC001238738339 1131239037 /nfs/dbraw/zinc/23/90/37/1131239037.db2.gz CWQRBZICFLWZNZ-BETUJISGSA-N 0 1 295.373 3.984 20 0 CHADMN Cc1ccc(-c2cnc([C@@H]3CCCCN3)nc2)cc1Cl ZINC000906185837 1126935934 /nfs/dbraw/zinc/93/59/34/1126935934.db2.gz QRHJPWPOXJKLAK-HNNXBMFYSA-N 0 1 287.794 3.920 20 0 CHADMN COc1ccc([C@H](C)[N@@H+](C)Cc2cncc(C)c2)cc1 ZINC000189752373 1126933869 /nfs/dbraw/zinc/93/38/69/1126933869.db2.gz JQSCFPVMAKDOLY-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cncc(C)c2)cc1 ZINC000189752373 1126933871 /nfs/dbraw/zinc/93/38/71/1126933871.db2.gz JQSCFPVMAKDOLY-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN Cc1cncc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000189749722 1126933880 /nfs/dbraw/zinc/93/38/80/1126933880.db2.gz PIQGDYYCRPAXTQ-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN Cc1cncc(CN(Cc2ccc(F)cc2)C2CC2)c1 ZINC000189749722 1126933884 /nfs/dbraw/zinc/93/38/84/1126933884.db2.gz PIQGDYYCRPAXTQ-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN Cc1cncc(CN(Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000189803730 1126934728 /nfs/dbraw/zinc/93/47/28/1126934728.db2.gz AJVCHMAIYBGXIW-IBGZPJMESA-N 0 1 296.414 3.571 20 0 CHADMN C[C@@H]1CSCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000190427997 1126942190 /nfs/dbraw/zinc/94/21/90/1126942190.db2.gz SREUKYSKFFRBSF-ZDUSSCGKSA-N 0 1 288.416 3.527 20 0 CHADMN Cc1c([C@@H](C)NCc2ccc(Cl)nc2)cnn1C(C)C ZINC000191189553 1126949384 /nfs/dbraw/zinc/94/93/84/1126949384.db2.gz OCABXXYJUPWBFA-LLVKDONJSA-N 0 1 292.814 3.672 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CNCc1cncs1 ZINC000191077171 1126947161 /nfs/dbraw/zinc/94/71/61/1126947161.db2.gz FYVAURXCFMHFFK-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN Oc1cccc2c1CCC[C@@H]2NCc1ccc(F)c(F)c1 ZINC000191657278 1126953417 /nfs/dbraw/zinc/95/34/17/1126953417.db2.gz HYBAYOXBIGTFTQ-INIZCTEOSA-N 0 1 289.325 3.838 20 0 CHADMN CC(C)c1noc(CN[C@@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000191885239 1126955797 /nfs/dbraw/zinc/95/57/97/1126955797.db2.gz WHKXWFFTQYWRRF-HZPDHXFCSA-N 0 1 299.418 3.694 20 0 CHADMN CC(C)(CNCc1cocn1)c1ccc(F)cc1Cl ZINC000192312672 1126960324 /nfs/dbraw/zinc/96/03/24/1126960324.db2.gz BTENLNJOWWIHJB-UHFFFAOYSA-N 0 1 282.746 3.535 20 0 CHADMN CCCCOc1ccccc1CN(C)CC1=CCCOC1 ZINC000668569220 1126964430 /nfs/dbraw/zinc/96/44/30/1126964430.db2.gz VLCUXMIBIDUVSV-UHFFFAOYSA-N 0 1 289.419 3.644 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000192955235 1126965248 /nfs/dbraw/zinc/96/52/48/1126965248.db2.gz ZQSVOUIKXMOIQN-UHFFFAOYSA-N 0 1 297.280 3.804 20 0 CHADMN Cc1cscc1CN=c1nc(-c2ccccc2)[nH]s1 ZINC000486008866 1126966440 /nfs/dbraw/zinc/96/64/40/1126966440.db2.gz WYVIKJNOZCMJNG-UHFFFAOYSA-N 0 1 287.413 3.609 20 0 CHADMN OC1(c2ccccc2Cl)CCN([C@@H]2C=CCCC2)CC1 ZINC000193138847 1126966737 /nfs/dbraw/zinc/96/67/37/1126966737.db2.gz STOWSLXLEDCNPA-CQSZACIVSA-N 0 1 291.822 3.732 20 0 CHADMN C[C@H](NC1(c2ccc(Cl)cc2)CCC1)c1ccnn1C ZINC000193088568 1126966948 /nfs/dbraw/zinc/96/69/48/1126966948.db2.gz CHDAGVGBUPQCKR-LBPRGKRZSA-N 0 1 289.810 3.804 20 0 CHADMN CN1Cc2ccc(NCc3sccc3Cl)cc2C1 ZINC000193161325 1126967943 /nfs/dbraw/zinc/96/79/43/1126967943.db2.gz SORFYPTYLBQVKX-UHFFFAOYSA-N 0 1 278.808 3.959 20 0 CHADMN C[C@@H](NCc1cnc(Cl)s1)c1ccsc1 ZINC000380110337 1126967979 /nfs/dbraw/zinc/96/79/79/1126967979.db2.gz OAWJJGKLVXWLGI-SSDOTTSWSA-N 0 1 258.799 3.709 20 0 CHADMN Fc1cccc2c1OCC[C@@H]2N[C@H]1CCCc2occc21 ZINC000193333258 1126968625 /nfs/dbraw/zinc/96/86/25/1126968625.db2.gz NWGDOSJKYVAIAI-GJZGRUSLSA-N 0 1 287.334 3.910 20 0 CHADMN Oc1ccc(CN(Cc2ccco2)C[C@@H]2CCC=CO2)cc1 ZINC000193869693 1126971224 /nfs/dbraw/zinc/97/12/24/1126971224.db2.gz OJGGPNNCUWLNKC-KRWDZBQOSA-N 0 1 299.370 3.680 20 0 CHADMN CCN(CCc1nccs1)Cc1sccc1Cl ZINC000194419749 1126974757 /nfs/dbraw/zinc/97/47/57/1126974757.db2.gz DDSBYCRUMKVLGT-UHFFFAOYSA-N 0 1 286.853 3.923 20 0 CHADMN CSC[C@@H]1CCCN(Cc2cnc(Cl)c(C)c2)C1 ZINC000814179599 1130836597 /nfs/dbraw/zinc/83/65/97/1130836597.db2.gz VYGMKDDXRGGPGN-GFCCVEGCSA-N 0 1 284.856 3.618 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccccc2SC)cn1 ZINC000194841698 1126976439 /nfs/dbraw/zinc/97/64/39/1126976439.db2.gz HRXHGVWEGOHIRC-GFCCVEGCSA-N 0 1 288.416 3.663 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(O)c1 ZINC000194873157 1126976709 /nfs/dbraw/zinc/97/67/09/1126976709.db2.gz YVXUXJWGWLPXSD-JVPBZIDWSA-N 0 1 297.398 3.963 20 0 CHADMN CC(C)[C@H]1CCC[C@@H](N[C@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000195024444 1126977841 /nfs/dbraw/zinc/97/78/41/1126977841.db2.gz NVUBKPFVJNKJDG-UAGQMJEPSA-N 0 1 298.434 3.699 20 0 CHADMN C[C@@H](N[C@H]1CCOc2c(F)cccc21)c1cccc(O)c1 ZINC000194967106 1126977959 /nfs/dbraw/zinc/97/79/59/1126977959.db2.gz PHONGCVMGCOCLR-BZNIZROVSA-N 0 1 287.334 3.706 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@H]2c2cccc(F)c2)on1 ZINC000266596179 1126984810 /nfs/dbraw/zinc/98/48/10/1126984810.db2.gz ONCCQIRFCKKTFM-BZNIZROVSA-N 0 1 274.339 3.705 20 0 CHADMN c1csc([C@H](NCC2CCC2)c2ccccc2)n1 ZINC000266754246 1126987697 /nfs/dbraw/zinc/98/76/97/1126987697.db2.gz RCIRUHZUFSLRLG-CQSZACIVSA-N 0 1 258.390 3.622 20 0 CHADMN CCN(CCC(F)(F)F)[C@@H](C)c1cccc(O)c1 ZINC000266915612 1126990285 /nfs/dbraw/zinc/99/02/85/1126990285.db2.gz KEZDWCQFOJVHQS-JTQLQIEISA-N 0 1 261.287 3.728 20 0 CHADMN Cc1noc(CN(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000267005329 1126991846 /nfs/dbraw/zinc/99/18/46/1126991846.db2.gz FQCJEXWEWXVAMD-GHMZBOCLSA-N 0 1 293.798 3.655 20 0 CHADMN CC(C)c1ccc(C(=O)Nc2cc(CN(C)C)ccn2)cc1 ZINC000267280271 1126996145 /nfs/dbraw/zinc/99/61/45/1126996145.db2.gz RYTZWNIJGGLJTQ-UHFFFAOYSA-N 0 1 297.402 3.519 20 0 CHADMN CCCCC[C@H]1CCC[N@H+]1Cc1nc(C(C)C)no1 ZINC000486776248 1127001890 /nfs/dbraw/zinc/00/18/90/1127001890.db2.gz PNBCMHMGVCAYGS-ZDUSSCGKSA-N 0 1 265.401 3.738 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1nc(C(C)C)no1 ZINC000486776248 1127001893 /nfs/dbraw/zinc/00/18/93/1127001893.db2.gz PNBCMHMGVCAYGS-ZDUSSCGKSA-N 0 1 265.401 3.738 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1CC(=O)Nc1ccccc1F ZINC000486815179 1127004447 /nfs/dbraw/zinc/00/44/47/1127004447.db2.gz XWPOSKIUIKWQOB-CZUORRHYSA-N 0 1 292.398 3.665 20 0 CHADMN Cc1ncsc1CN[C@H](C)c1ccc(F)c(C)c1 ZINC000267726405 1127005155 /nfs/dbraw/zinc/00/51/55/1127005155.db2.gz JVUKMPKMZWTINR-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN Cc1cc(CC(=O)N[C@H](CC(C)(C)C)c2ccccc2)[nH]n1 ZINC000267979202 1127009261 /nfs/dbraw/zinc/00/92/61/1127009261.db2.gz YDRKMEXPPNTWJP-MRXNPFEDSA-N 0 1 299.418 3.554 20 0 CHADMN Cc1cc(CC(=O)N[C@@H](CC(C)(C)C)c2ccccc2)[nH]n1 ZINC000267979199 1127009280 /nfs/dbraw/zinc/00/92/80/1127009280.db2.gz YDRKMEXPPNTWJP-INIZCTEOSA-N 0 1 299.418 3.554 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccccc2C)nc(C)n1 ZINC000659851109 1127009441 /nfs/dbraw/zinc/00/94/41/1127009441.db2.gz FIGULMMSITWGLU-CQSZACIVSA-N 0 1 269.392 3.595 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccccc2C)nc(C)n1 ZINC000659851108 1127009809 /nfs/dbraw/zinc/00/98/09/1127009809.db2.gz FIGULMMSITWGLU-AWEZNQCLSA-N 0 1 269.392 3.595 20 0 CHADMN CCc1noc(C)c1CN1C[C@H](C)[C@H]1c1ccccc1 ZINC000268199290 1127013370 /nfs/dbraw/zinc/01/33/70/1127013370.db2.gz XGJCADKHBKSRDH-SJCJKPOMSA-N 0 1 270.376 3.738 20 0 CHADMN Cc1ccsc1CN[C@@H](C)c1cccnc1Cl ZINC000268790101 1127024850 /nfs/dbraw/zinc/02/48/50/1127024850.db2.gz FNLMBHZRXBZWQT-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN CC(C)[C@H](C)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000268734672 1127021996 /nfs/dbraw/zinc/02/19/96/1127021996.db2.gz DCCBHGQCSSPBAJ-WFASDCNBSA-N 0 1 291.826 3.797 20 0 CHADMN c1[nH]nc2c1CCC[C@H]2NCc1ccc2ccccc2c1 ZINC000268817127 1127025811 /nfs/dbraw/zinc/02/58/11/1127025811.db2.gz GMRRHDHLOUEFHS-QGZVFWFLSA-N 0 1 277.371 3.730 20 0 CHADMN Cc1ccc2nc(CN[C@H]3CCCc4sccc43)cn2c1 ZINC000268858280 1127026651 /nfs/dbraw/zinc/02/66/51/1127026651.db2.gz IWMKDXXSWHGICS-HNNXBMFYSA-N 0 1 297.427 3.871 20 0 CHADMN Cc1ccn2cc(CN[C@H]3CCc4cc(F)ccc43)nc2c1 ZINC000268866984 1127026667 /nfs/dbraw/zinc/02/66/67/1127026667.db2.gz KRUFRQWMMYBJQR-KRWDZBQOSA-N 0 1 295.361 3.559 20 0 CHADMN C[C@H](N[C@H]1CC2(CCC2)Oc2ccccc21)c1cnn(C)c1 ZINC000268910908 1127028031 /nfs/dbraw/zinc/02/80/31/1127028031.db2.gz QYPRJSCGPDGNMB-BBRMVZONSA-N 0 1 297.402 3.517 20 0 CHADMN CO[C@@H](C)c1nc(CN[C@@H](C)CCc2ccco2)cs1 ZINC000269096937 1127035417 /nfs/dbraw/zinc/03/54/17/1127035417.db2.gz SALUQPKKKRTVSC-RYUDHWBXSA-N 0 1 294.420 3.554 20 0 CHADMN Cc1ccsc1[C@@H](CO)NCc1cc(Cl)cs1 ZINC000487328976 1127034298 /nfs/dbraw/zinc/03/42/98/1127034298.db2.gz AUUOPELGLCLTPB-LLVKDONJSA-N 0 1 287.837 3.595 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)[C@H]1CCCO1)c1cncs1 ZINC000269064558 1127034580 /nfs/dbraw/zinc/03/45/80/1127034580.db2.gz YMFNWNKOAWJFNR-JGGQBBKZSA-N 0 1 288.416 3.714 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccccc1Cl ZINC000269064746 1127034817 /nfs/dbraw/zinc/03/48/17/1127034817.db2.gz LBQIKTFXHOLFHG-GOPGUHFVSA-N 0 1 287.790 3.649 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccccc1)c1cc(F)cc(F)c1 ZINC000269005375 1127032840 /nfs/dbraw/zinc/03/28/40/1127032840.db2.gz QIUAUGCSUCGOAI-SJKOYZFVSA-N 0 1 291.341 3.739 20 0 CHADMN CCc1cccc(F)c1CN[C@H](c1ccccc1)[C@@H](C)O ZINC000668788225 1127039133 /nfs/dbraw/zinc/03/91/33/1127039133.db2.gz HERZHTLKGAZFIZ-ACJLOTCBSA-N 0 1 287.378 3.600 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)COc2cccc(C)c2)cs1 ZINC000269456871 1127039441 /nfs/dbraw/zinc/03/94/41/1127039441.db2.gz XGDNHVRZTNRXEI-STQMWFEESA-N 0 1 290.432 3.878 20 0 CHADMN CC(=O)CC[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000269520719 1127040857 /nfs/dbraw/zinc/04/08/57/1127040857.db2.gz QDRKWHTVGKNZSV-NSHDSACASA-N 0 1 273.298 3.677 20 0 CHADMN c1c[nH]c([C@H]2CCCN2Cc2cnc(-c3ccccc3)[nH]2)c1 ZINC000269459226 1127040973 /nfs/dbraw/zinc/04/09/73/1127040973.db2.gz IZZMAHXCNSZTSC-QGZVFWFLSA-N 0 1 292.386 3.742 20 0 CHADMN CCN(Cc1cnccc1C)[C@@H](C)c1cccc(O)c1 ZINC000269591332 1127042516 /nfs/dbraw/zinc/04/25/16/1127042516.db2.gz IJCKCMTXUNBSBO-AWEZNQCLSA-N 0 1 270.376 3.679 20 0 CHADMN CCCCCN(Cc1nnc2n1CCCC2)[C@@H](C)CCC ZINC000487919048 1127046831 /nfs/dbraw/zinc/04/68/31/1127046831.db2.gz OWSVHTATNQZDMW-HNNXBMFYSA-N 0 1 292.471 3.795 20 0 CHADMN CC(C)[C@H](C)N(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000270302007 1127052361 /nfs/dbraw/zinc/05/23/61/1127052361.db2.gz WYDXRQPUUOGWNO-LBPRGKRZSA-N 0 1 277.412 3.574 20 0 CHADMN COCCN(Cc1csc(C(C)C)n1)[C@@H]1CCC[C@@H]1C ZINC000488060652 1127053957 /nfs/dbraw/zinc/05/39/57/1127053957.db2.gz JFKXZJFREVQGCW-DZGCQCFKSA-N 0 1 296.480 3.904 20 0 CHADMN Cc1ccncc1CN(C)Cc1cccc(OC(C)C)c1 ZINC000270126181 1127051059 /nfs/dbraw/zinc/05/10/59/1127051059.db2.gz GKMGAMABZHBUBI-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN CCn1cc(CN[C@H](c2ccc(F)c(F)c2)C(C)C)cn1 ZINC000270520385 1127056843 /nfs/dbraw/zinc/05/68/43/1127056843.db2.gz RDPWZRWJLLZCHG-INIZCTEOSA-N 0 1 293.361 3.668 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1ncc(C2CC2)o1 ZINC000270525658 1127056952 /nfs/dbraw/zinc/05/69/52/1127056952.db2.gz DOHWHVVZSLENFI-XJKSGUPXSA-N 0 1 282.387 3.930 20 0 CHADMN Cc1cc(Cl)nc(Cl)c1CN1C[C@@H]2CCC[C@H]2C1 ZINC001236600475 1130982499 /nfs/dbraw/zinc/98/24/99/1130982499.db2.gz XKUDJRVFFCDWRA-QWRGUYRKSA-N 0 1 285.218 3.929 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)C[C@@H](O)c2cccs2)cs1 ZINC000270631601 1127059523 /nfs/dbraw/zinc/05/95/23/1127059523.db2.gz MINOHOWZHWRDIV-OUJBWJOFSA-N 0 1 296.461 3.676 20 0 CHADMN CC[N@@H+](CCc1cccs1)[C@@H](C)c1nc(C2CC2)no1 ZINC000270673258 1127060589 /nfs/dbraw/zinc/06/05/89/1127060589.db2.gz AUQWZOINIPVCFC-NSHDSACASA-N 0 1 291.420 3.634 20 0 CHADMN CCN(CCc1cccs1)[C@@H](C)c1nc(C2CC2)no1 ZINC000270673258 1127060591 /nfs/dbraw/zinc/06/05/91/1127060591.db2.gz AUQWZOINIPVCFC-NSHDSACASA-N 0 1 291.420 3.634 20 0 CHADMN CCC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c([O-])c1 ZINC001236704448 1130996703 /nfs/dbraw/zinc/99/67/03/1130996703.db2.gz BEZTXRNHBRZDIZ-CYBMUJFWSA-N 0 1 251.345 3.686 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c([O-])c1 ZINC001236704448 1130996709 /nfs/dbraw/zinc/99/67/09/1130996709.db2.gz BEZTXRNHBRZDIZ-CYBMUJFWSA-N 0 1 251.345 3.686 20 0 CHADMN Cc1n[nH]c(C)c1CN(C)Cc1ccc2ccccc2c1 ZINC000271051333 1127067580 /nfs/dbraw/zinc/06/75/80/1127067580.db2.gz VRFFGKCXUSGJBV-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN CC(C)N(Cc1cnn(C(C)C)c1)Cc1cccs1 ZINC000271068840 1127067668 /nfs/dbraw/zinc/06/76/68/1127067668.db2.gz KIMJQYPKVAHSCI-UHFFFAOYSA-N 0 1 277.437 3.936 20 0 CHADMN Cc1n[nH]c(C)c1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000271088239 1127067970 /nfs/dbraw/zinc/06/79/70/1127067970.db2.gz UTCPELDCXAYRJC-MRXNPFEDSA-N 0 1 273.355 3.503 20 0 CHADMN CO[C@H]1CCN(Cc2ccc(F)c(C)c2Cl)[C@H](C)C1 ZINC001236716226 1130998705 /nfs/dbraw/zinc/99/87/05/1130998705.db2.gz UPZZXAJSLWIODN-MFKMUULPSA-N 0 1 285.790 3.787 20 0 CHADMN C[C@H](O)C1CCN(Cc2c(Cl)oc3ccccc32)CC1 ZINC000271165772 1127070662 /nfs/dbraw/zinc/07/06/62/1127070662.db2.gz RTEJAOHBYKFABG-NSHDSACASA-N 0 1 293.794 3.679 20 0 CHADMN Fc1ccc2cc(CN3CCc4ccccc4C3)[nH]c2c1 ZINC000488291495 1127071297 /nfs/dbraw/zinc/07/12/97/1127071297.db2.gz HJMAZITVOQYEQO-UHFFFAOYSA-N 0 1 280.346 3.865 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(C)cc(C)c1 ZINC000271232215 1127072870 /nfs/dbraw/zinc/07/28/70/1127072870.db2.gz BIZQOLIKFWFJEK-UHFFFAOYSA-N 0 1 279.290 3.525 20 0 CHADMN Cc1n[nH]c(C)c1CN1CCC(=Cc2ccccc2F)CC1 ZINC000271286592 1127074291 /nfs/dbraw/zinc/07/42/91/1127074291.db2.gz QQCRJCJHURVQMO-UHFFFAOYSA-N 0 1 299.393 3.845 20 0 CHADMN CCc1ncc(C[N@@H+](C)CCOc2cccc(C)c2)s1 ZINC000067403365 1127074867 /nfs/dbraw/zinc/07/48/67/1127074867.db2.gz VLCSOYMIMNHXRH-UHFFFAOYSA-N 0 1 290.432 3.525 20 0 CHADMN CCc1ncc(CN(C)CCOc2cccc(C)c2)s1 ZINC000067403365 1127074872 /nfs/dbraw/zinc/07/48/72/1127074872.db2.gz VLCSOYMIMNHXRH-UHFFFAOYSA-N 0 1 290.432 3.525 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000271418500 1127079973 /nfs/dbraw/zinc/07/99/73/1127079973.db2.gz BFGJEKCYGCTWIX-ZBEGNZNMSA-N 0 1 293.769 3.863 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](CC)c2cccc(Cl)c2)n[nH]1 ZINC000271422090 1127080124 /nfs/dbraw/zinc/08/01/24/1127080124.db2.gz BZDADOCKYMRRAB-GWCFXTLKSA-N 0 1 292.814 3.822 20 0 CHADMN C[C@@H](NC[C@H](C)Oc1cccc(Cl)c1)c1cscn1 ZINC000271440761 1127081265 /nfs/dbraw/zinc/08/12/65/1127081265.db2.gz DGSJPVYCOCLRSF-WDEREUQCSA-N 0 1 296.823 3.915 20 0 CHADMN C[C@H](NCc1ccccc1N(C)C)c1ccc(Cl)nc1 ZINC000271445682 1127081370 /nfs/dbraw/zinc/08/13/70/1127081370.db2.gz DVYOPBQPRRARIB-LBPRGKRZSA-N 0 1 289.810 3.652 20 0 CHADMN Cc1ccoc1CN(C)c1ccnc2cc(F)ccc21 ZINC000488735639 1127081399 /nfs/dbraw/zinc/08/13/99/1127081399.db2.gz SQGNSTSTZNYEGP-UHFFFAOYSA-N 0 1 270.307 3.912 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H]2CCCc3c[nH]nc32)s1 ZINC000271442458 1127081663 /nfs/dbraw/zinc/08/16/63/1127081663.db2.gz CMBYYPWFCNJLTL-MFKMUULPSA-N 0 1 275.421 3.762 20 0 CHADMN C[C@@H](NCc1ccccc1N(C)C)c1ccc(Cl)nc1 ZINC000271445680 1127081909 /nfs/dbraw/zinc/08/19/09/1127081909.db2.gz DVYOPBQPRRARIB-GFCCVEGCSA-N 0 1 289.810 3.652 20 0 CHADMN C[C@H](CCc1ccco1)NCc1nnc(C(C)(C)C)s1 ZINC000271453756 1127083125 /nfs/dbraw/zinc/08/31/25/1127083125.db2.gz GKPHQWCHJGSAPJ-LLVKDONJSA-N 0 1 293.436 3.540 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c[nH]nc21)c1cccc(Cl)c1 ZINC000271502234 1127087677 /nfs/dbraw/zinc/08/76/77/1127087677.db2.gz MBXNDKLGOWUDTO-YGRLFVJLSA-N 0 1 275.783 3.791 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@H](C)c2cc(F)ccc2F)n[nH]1 ZINC000271466296 1127083875 /nfs/dbraw/zinc/08/38/75/1127083875.db2.gz HYUKDBMARISHPQ-NXEZZACHSA-N 0 1 294.349 3.618 20 0 CHADMN OC[C@@H](N[C@H]1CCCc2sccc21)c1ccc(F)cc1 ZINC000271485407 1127085752 /nfs/dbraw/zinc/08/57/52/1127085752.db2.gz OEXXLLHOOUJJLA-LSDHHAIUSA-N 0 1 291.391 3.588 20 0 CHADMN Cc1cccc([C@@H]2C[C@H]2c2nc([C@@H](N)CC(C)C)no2)c1 ZINC000634555212 1127086767 /nfs/dbraw/zinc/08/67/67/1127086767.db2.gz DCFPCIKZGZTGIJ-ZNMIVQPWSA-N 0 1 285.391 3.695 20 0 CHADMN CCc1cccc2c1OCC[C@@H]2N[C@@H](C)c1cnn(CC)c1 ZINC000271507595 1127087934 /nfs/dbraw/zinc/08/79/34/1127087934.db2.gz RUCDKQCBYYCIOU-GUYCJALGSA-N 0 1 299.418 3.640 20 0 CHADMN CO[C@H](C)[C@@H](C)N[C@H](C)c1c(F)cccc1Cl ZINC000271528498 1127088399 /nfs/dbraw/zinc/08/83/99/1127088399.db2.gz RNTQABOOKKATQT-OPRDCNLKSA-N 0 1 259.752 3.553 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](C)c2ccc3c(c2)CCCC3)n[nH]1 ZINC000271524829 1127088838 /nfs/dbraw/zinc/08/88/38/1127088838.db2.gz OXFAGNHWMAZLEQ-CHWSQXEVSA-N 0 1 298.434 3.658 20 0 CHADMN COC[C@H](N[C@@H]1CCc2c1cccc2F)c1ccccc1 ZINC000271522367 1127089114 /nfs/dbraw/zinc/08/91/14/1127089114.db2.gz VACCMTSRUJSOPD-MSOLQXFVSA-N 0 1 285.362 3.790 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(C(F)(F)F)c2)ncn1 ZINC000271549216 1127090680 /nfs/dbraw/zinc/09/06/80/1127090680.db2.gz RWNPVGZKAMCXCR-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN c1[nH]nc2c1CCC[C@@H]2N[C@H]1CCSc2ccccc21 ZINC000271578546 1127092808 /nfs/dbraw/zinc/09/28/08/1127092808.db2.gz ZYZAMVBKFYTFRX-KBPBESRZSA-N 0 1 285.416 3.614 20 0 CHADMN CC[C@@H](CN[C@@H](C)c1cscn1)Oc1cccc(C)c1 ZINC000271564995 1127091923 /nfs/dbraw/zinc/09/19/23/1127091923.db2.gz YGLLERJTBPNSQL-KBPBESRZSA-N 0 1 290.432 3.960 20 0 CHADMN CC[C@H](CN[C@H](C)c1cscn1)Oc1cccc(C)c1 ZINC000271564999 1127092127 /nfs/dbraw/zinc/09/21/27/1127092127.db2.gz YGLLERJTBPNSQL-ZIAGYGMSSA-N 0 1 290.432 3.960 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H]1CCCOc2ccccc21 ZINC000271553557 1127092251 /nfs/dbraw/zinc/09/22/51/1127092251.db2.gz MUPKKTXMAQKZPT-WMLDXEAASA-N 0 1 282.387 3.955 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccc1OC(F)(F)F)c1cn[nH]c1 ZINC000271593553 1127093799 /nfs/dbraw/zinc/09/37/99/1127093799.db2.gz YQCKZMCTUDMMBH-NXEZZACHSA-N 0 1 299.296 3.720 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)c2cnccc2C)c1 ZINC000271593618 1127094436 /nfs/dbraw/zinc/09/44/36/1127094436.db2.gz SSAYVMYRQPLECV-KGLIPLIRSA-N 0 1 297.402 3.760 20 0 CHADMN Cc1ccc(Cl)c(NC(=O)c2cccc(F)c2O)c1 ZINC001127058473 1127095623 /nfs/dbraw/zinc/09/56/23/1127095623.db2.gz SVLVDNZTWXZDJD-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN Clc1ccc([C@@H](NCc2ccno2)C2CCC2)cc1 ZINC000271691045 1127097131 /nfs/dbraw/zinc/09/71/31/1127097131.db2.gz KKNZLDUFUDUSHV-HNNXBMFYSA-N 0 1 276.767 3.959 20 0 CHADMN Cc1n[nH]cc1CN[C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000274307467 1127112439 /nfs/dbraw/zinc/11/24/39/1127112439.db2.gz SLNIIRZMTYOWJM-GFCCVEGCSA-N 0 1 287.407 3.746 20 0 CHADMN CCCCc1noc([C@H](C)N2CCCCCCC2)n1 ZINC000912885366 1127115392 /nfs/dbraw/zinc/11/53/92/1127115392.db2.gz QOCNIDIAQZHUCY-ZDUSSCGKSA-N 0 1 265.401 3.739 20 0 CHADMN CCCCCNC(=O)[C@@H](C)N1CCC[C@H]1c1ccsc1 ZINC000339144593 1127115797 /nfs/dbraw/zinc/11/57/97/1127115797.db2.gz ZKVUPYZTTIDUFE-HIFRSBDPSA-N 0 1 294.464 3.580 20 0 CHADMN COCC[C@@H](N[C@H](C)c1cncc(C)c1)c1ccc(C)o1 ZINC000274390727 1127116949 /nfs/dbraw/zinc/11/69/49/1127116949.db2.gz OGTZBGZRCLGQFB-GDBMZVCRSA-N 0 1 288.391 3.720 20 0 CHADMN CCOc1ncccc1CNCc1cc(C)cc(Cl)c1 ZINC000339182363 1127118559 /nfs/dbraw/zinc/11/85/59/1127118559.db2.gz XMZPFVVVHGJSMI-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN COCC[C@H](N[C@@H](C)c1ncc(C)s1)c1ccccc1 ZINC000348513978 1127121652 /nfs/dbraw/zinc/12/16/52/1127121652.db2.gz KMYVQTOFCOKNRL-ZFWWWQNUSA-N 0 1 290.432 3.880 20 0 CHADMN COc1cc(CN2CCC[C@H]2c2cccnc2)ccc1C ZINC000348903826 1127133858 /nfs/dbraw/zinc/13/38/58/1127133858.db2.gz HXZIGEUSINVSJF-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN Cc1n[nH]c(C)c1CN1CCC(=Cc2cccc(F)c2)CC1 ZINC000349036990 1127138038 /nfs/dbraw/zinc/13/80/38/1127138038.db2.gz QJEWBHFKZRLTJW-UHFFFAOYSA-N 0 1 299.393 3.845 20 0 CHADMN C[C@@H](NCCCSCc1ccccc1)c1ccon1 ZINC000349237457 1127144544 /nfs/dbraw/zinc/14/45/44/1127144544.db2.gz IVNLTGCSRFMTBS-CYBMUJFWSA-N 0 1 276.405 3.649 20 0 CHADMN C[C@@H](CCSc1ccccc1)N[C@@H](C)c1ccon1 ZINC000349246456 1127144428 /nfs/dbraw/zinc/14/44/28/1127144428.db2.gz SRUFLLWKVWVJBF-STQMWFEESA-N 0 1 276.405 3.896 20 0 CHADMN COCCC1CCN(Cc2ccc(F)c(F)c2C)CC1 ZINC001237161833 1131061882 /nfs/dbraw/zinc/06/18/82/1131061882.db2.gz RSRRTZJMROLQAW-UHFFFAOYSA-N 0 1 283.362 3.522 20 0 CHADMN CN(C)[C@@H](CNC(=O)CCCC(C)(C)C)c1ccsc1 ZINC000349249337 1127145664 /nfs/dbraw/zinc/14/56/64/1127145664.db2.gz UGNOLNOXNMVVCU-AWEZNQCLSA-N 0 1 296.480 3.683 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@H](CO)c1ccsc1 ZINC000349358185 1127148394 /nfs/dbraw/zinc/14/83/94/1127148394.db2.gz VQHYDFSOBSUTRK-CMPLNLGQSA-N 0 1 267.419 3.502 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@@H](CO)c1ccsc1 ZINC000349358187 1127148420 /nfs/dbraw/zinc/14/84/20/1127148420.db2.gz VQHYDFSOBSUTRK-JQWIXIFHSA-N 0 1 267.419 3.502 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3occc32)cnc1Cl ZINC000760654555 1127149158 /nfs/dbraw/zinc/14/91/58/1127149158.db2.gz AMNMBTMRIKFKFX-ZDUSSCGKSA-N 0 1 276.767 3.804 20 0 CHADMN CCc1ncc(CN[C@H](CC2CC2)c2ccccc2)o1 ZINC000571036612 1127152850 /nfs/dbraw/zinc/15/28/50/1127152850.db2.gz WRUUSVWBNGPFCA-MRXNPFEDSA-N 0 1 270.376 3.868 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2cc(C)cc(C)c2)no1 ZINC000044590545 1127154355 /nfs/dbraw/zinc/15/43/55/1127154355.db2.gz NSMQXKVKGLNGJX-KRWDZBQOSA-N 0 1 270.376 3.937 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@H]2c2cccn2C)c1 ZINC000349578564 1127154349 /nfs/dbraw/zinc/15/43/49/1127154349.db2.gz QOXBDBKUISSBBZ-KRWDZBQOSA-N 0 1 272.367 3.810 20 0 CHADMN CC(C)(CNCc1ncc(Cl)s1)Oc1ccccc1 ZINC000349570146 1127154393 /nfs/dbraw/zinc/15/43/93/1127154393.db2.gz ROGIGPJVFWHHLR-UHFFFAOYSA-N 0 1 296.823 3.744 20 0 CHADMN Cc1cc(CN[C@H](CO)c2ccsc2)ccc1Cl ZINC000349635244 1127156498 /nfs/dbraw/zinc/15/64/98/1127156498.db2.gz XLKKKYYECWCYEZ-CQSZACIVSA-N 0 1 281.808 3.533 20 0 CHADMN Cc1nc2ccccn2c1CN(C)Cc1cccc(C)c1 ZINC000349731858 1127159556 /nfs/dbraw/zinc/15/95/56/1127159556.db2.gz LGHBWFQSBYFRFT-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN CCOc1cc(CNC(C)(C)CF)ccc1OC(F)F ZINC000349790673 1127160797 /nfs/dbraw/zinc/16/07/97/1127160797.db2.gz OCJAUTYBAHOEBY-UHFFFAOYSA-N 0 1 291.313 3.524 20 0 CHADMN C[N@H+](Cc1ccc(-c2ccccc2F)o1)C[C@H]1CCCO1 ZINC000349834505 1127163897 /nfs/dbraw/zinc/16/38/97/1127163897.db2.gz YLUFSBDXBVZYOV-CYBMUJFWSA-N 0 1 289.350 3.697 20 0 CHADMN CCCCCc1cc(C(=O)N2CCC[C@H]3CCC[C@H]32)n[nH]1 ZINC000669226799 1127165237 /nfs/dbraw/zinc/16/52/37/1127165237.db2.gz VUAUEORSJINPTB-CZUORRHYSA-N 0 1 289.423 3.547 20 0 CHADMN CC1CCC(N(C(=O)c2ccc3cncn3c2)C2CC2)CC1 ZINC000283943297 1127165611 /nfs/dbraw/zinc/16/56/11/1127165611.db2.gz MZSMKHXWNJLWKD-UHFFFAOYSA-N 0 1 297.402 3.518 20 0 CHADMN Cc1ccoc1CN1CCSC[C@H]1c1ccccc1 ZINC000349862553 1127165988 /nfs/dbraw/zinc/16/59/88/1127165988.db2.gz WVCWTJOXJNKICD-HNNXBMFYSA-N 0 1 273.401 3.878 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@@H](C)c1ccccc1OC(F)F ZINC000679330337 1127166859 /nfs/dbraw/zinc/16/68/59/1127166859.db2.gz HWIGXYSFKNXOTI-UWVGGRQHSA-N 0 1 295.333 3.731 20 0 CHADMN CC(C)c1cccc(CN2CCN(c3cccnc3)CC2)c1 ZINC001237455900 1131099935 /nfs/dbraw/zinc/09/99/35/1131099935.db2.gz FEKPVQSUIGHBEM-UHFFFAOYSA-N 0 1 295.430 3.527 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1cccc(C(C)C)c1 ZINC001237460119 1131100933 /nfs/dbraw/zinc/10/09/33/1131100933.db2.gz IPLISUNMHFVGLG-QGZVFWFLSA-N 0 1 259.393 3.754 20 0 CHADMN C[C@H]1c2ccsc2CCN1Cc1ccc2c[nH]nc2c1 ZINC000350037797 1127171348 /nfs/dbraw/zinc/17/13/48/1127171348.db2.gz UFPWGCRHPOPZIS-NSHDSACASA-N 0 1 283.400 3.744 20 0 CHADMN C[C@@H](NC1(c2ccc(Cl)cc2)CCC1)c1cn[nH]c1 ZINC000284088282 1127172905 /nfs/dbraw/zinc/17/29/05/1127172905.db2.gz NXHDXRCYNADGCR-LLVKDONJSA-N 0 1 275.783 3.793 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000588078309 1127173333 /nfs/dbraw/zinc/17/33/33/1127173333.db2.gz DEUUSZINPWMXRK-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN CC[C@H](NCc1cc(C)nn1C)c1cccc(Cl)c1 ZINC000284125855 1127175005 /nfs/dbraw/zinc/17/50/05/1127175005.db2.gz CSCFHRJIFWALHS-HNNXBMFYSA-N 0 1 277.799 3.623 20 0 CHADMN COCC[C@@H](NCc1ccc(F)c(C)c1)c1ccc(C)o1 ZINC000350291589 1127175743 /nfs/dbraw/zinc/17/57/43/1127175743.db2.gz VLPXUEGODJDLGQ-MRXNPFEDSA-N 0 1 291.366 3.903 20 0 CHADMN Cc1cc([C@@H](C)NCCc2cccc(Cl)c2)no1 ZINC000284151201 1127175867 /nfs/dbraw/zinc/17/58/67/1127175867.db2.gz PGMNRBDTFUXKCQ-LLVKDONJSA-N 0 1 264.756 3.530 20 0 CHADMN Cc1nc(CNC2(c3ccc(F)cc3)CCCC2)[nH]c1C ZINC000571821924 1127177093 /nfs/dbraw/zinc/17/70/93/1127177093.db2.gz XXOFQRKHMDRGLK-UHFFFAOYSA-N 0 1 287.382 3.725 20 0 CHADMN CC[C@H](CN[C@H](C)c1cc(C)on1)Oc1ccccc1F ZINC000284208177 1127178069 /nfs/dbraw/zinc/17/80/69/1127178069.db2.gz SMHHWLZSZWGUBI-CHWSQXEVSA-N 0 1 292.354 3.630 20 0 CHADMN CCN(CCCN[C@@H](C)c1cc(C)on1)c1ccccc1 ZINC000284217883 1127178573 /nfs/dbraw/zinc/17/85/73/1127178573.db2.gz TVKLOZOKWTYTGB-HNNXBMFYSA-N 0 1 287.407 3.550 20 0 CHADMN COc1ncc([C@@H](C)NCc2ccsc2)cc1Cl ZINC000284385286 1127182315 /nfs/dbraw/zinc/18/23/15/1127182315.db2.gz OWWMIZHXEBXLMZ-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN COc1ccc(CN2C[C@@H](C)[C@@H]2C)cc1OCC(C)C ZINC000816648370 1131119451 /nfs/dbraw/zinc/11/94/51/1131119451.db2.gz JNOKNXQMUWJURL-KGLIPLIRSA-N 0 1 277.408 3.570 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cc3ccc(F)cc3[nH]2)CCC1(F)F ZINC000571933569 1127183776 /nfs/dbraw/zinc/18/37/76/1127183776.db2.gz AQVSHVDADLRNRO-JTQLQIEISA-N 0 1 282.309 3.784 20 0 CHADMN C[C@H]1CN(Cc2cc3ccc(F)cc3[nH]2)CCC1(F)F ZINC000571933569 1127183780 /nfs/dbraw/zinc/18/37/80/1127183780.db2.gz AQVSHVDADLRNRO-JTQLQIEISA-N 0 1 282.309 3.784 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1cnc(C(C)(C)C)nc1 ZINC000284459248 1127184793 /nfs/dbraw/zinc/18/47/93/1127184793.db2.gz UYOIMNMDYKVQSH-CQSZACIVSA-N 0 1 283.419 3.967 20 0 CHADMN CCC1CCC(N(C)C(=O)c2cccc3c[nH]nc32)CC1 ZINC000351195706 1127186008 /nfs/dbraw/zinc/18/60/08/1127186008.db2.gz AGCLWTZFJJGWFX-UHFFFAOYSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1cnc(CN2CCC[C@@H](c3ccc(F)cc3)CC2)nc1 ZINC000351310313 1127188177 /nfs/dbraw/zinc/18/81/77/1127188177.db2.gz YDOKXWDYUHNVTI-OAHLLOKOSA-N 0 1 299.393 3.694 20 0 CHADMN CC(C)Sc1cccc(Cl)c1CN1CCC[C@@H](O)C1 ZINC000351490243 1127190080 /nfs/dbraw/zinc/19/00/80/1127190080.db2.gz FNCJUELPNFKMMN-GFCCVEGCSA-N 0 1 299.867 3.797 20 0 CHADMN CCc1cc(-c2ccc(CN(C)C)c(F)c2)ccc1N ZINC000665144971 1127191558 /nfs/dbraw/zinc/19/15/58/1127191558.db2.gz NHBCTOYGGMZMMS-UHFFFAOYSA-N 0 1 272.367 3.699 20 0 CHADMN CC(C)Cn1ccnc1NCc1ccc(OC(F)F)cc1 ZINC000351567762 1127194420 /nfs/dbraw/zinc/19/44/20/1127194420.db2.gz IYHLUMRZVOKVSU-UHFFFAOYSA-N 0 1 295.333 3.753 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN(C)CCC(=O)OC(C)(C)C)o1 ZINC000351566495 1127194499 /nfs/dbraw/zinc/19/44/99/1127194499.db2.gz DHDRYCAOFBJMOF-GXTWGEPZSA-N 0 1 293.407 3.567 20 0 CHADMN C[C@H](O)CN(Cc1c(F)cccc1Cl)C1CCCCC1 ZINC000588779493 1127194861 /nfs/dbraw/zinc/19/48/61/1127194861.db2.gz JTKCQQNSZCGRPT-LBPRGKRZSA-N 0 1 299.817 3.995 20 0 CHADMN COCCN(Cc1cccc(F)c1)Cc1cccc(F)c1 ZINC000351580555 1127195483 /nfs/dbraw/zinc/19/54/83/1127195483.db2.gz DBTRHASZAVXRGV-UHFFFAOYSA-N 0 1 291.341 3.613 20 0 CHADMN COCCN(Cc1ccco1)Cc1ccc(C)cc1C ZINC000351580048 1127195553 /nfs/dbraw/zinc/19/55/53/1127195553.db2.gz AZTXQCCRKIKJEW-UHFFFAOYSA-N 0 1 273.376 3.545 20 0 CHADMN CSCc1cnc(CN2CC[C@@H]3CCCC[C@@H]32)s1 ZINC000572244193 1127196396 /nfs/dbraw/zinc/19/63/96/1127196396.db2.gz JGGYQLUPMHFDDK-AAEUAGOBSA-N 0 1 282.478 3.771 20 0 CHADMN CSCc1cnc(CN2C[C@H](C)CC2(C)C)s1 ZINC000351620522 1127199076 /nfs/dbraw/zinc/19/90/76/1127199076.db2.gz QBCFRXVDNYKFDZ-SNVBAGLBSA-N 0 1 270.467 3.627 20 0 CHADMN CSCc1cnc(CN2C[C@@H](C)CC2(C)C)s1 ZINC000351620521 1127199646 /nfs/dbraw/zinc/19/96/46/1127199646.db2.gz QBCFRXVDNYKFDZ-JTQLQIEISA-N 0 1 270.467 3.627 20 0 CHADMN O=C(C[C@@H]1C[C@@H]1c1ccccc1)Nc1ccc2nc[nH]c2c1 ZINC000351640906 1127199834 /nfs/dbraw/zinc/19/98/34/1127199834.db2.gz JZPAWUHYKKDANR-DZGCQCFKSA-N 0 1 291.354 3.695 20 0 CHADMN CS[C@@H]1CC[C@@H](N(C)Cn2ccn(C(C)C)c2=S)C1 ZINC001116151358 1131131232 /nfs/dbraw/zinc/13/12/32/1131131232.db2.gz CCDUGECOPFUBIK-CHWSQXEVSA-N 0 1 299.509 3.773 20 0 CHADMN CSC[C@H](C)N[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000284748903 1127203620 /nfs/dbraw/zinc/20/36/20/1127203620.db2.gz FDHJDGNLPCGDIT-BLLLJJGKSA-N 0 1 290.407 3.651 20 0 CHADMN Cc1ncc(CN[C@@H](c2ccc(F)cc2F)C(C)C)cn1 ZINC000351730975 1127206666 /nfs/dbraw/zinc/20/66/66/1127206666.db2.gz MZCQEMSNGYGNCE-MRXNPFEDSA-N 0 1 291.345 3.550 20 0 CHADMN Clc1ccsc1CN1CCC[C@H]1[C@H]1CCCO1 ZINC000284811031 1127207414 /nfs/dbraw/zinc/20/74/14/1127207414.db2.gz PEUMMQMLVXQMLX-NWDGAFQWSA-N 0 1 271.813 3.545 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCO[C@@H](c3ccccc3)C2)no1 ZINC000284980527 1127213437 /nfs/dbraw/zinc/21/34/37/1127213437.db2.gz GCYPEKHEWXGGHT-JLJPHGGASA-N 0 1 286.375 3.554 20 0 CHADMN Cc1ncc(CN2C[C@H](C)C[C@H]2c2cccc(F)c2)cn1 ZINC000352007721 1127215435 /nfs/dbraw/zinc/21/54/35/1127215435.db2.gz YLROKLHVZWYUMH-PXAZEXFGSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1oc(C(C)C)cc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000285115480 1127217823 /nfs/dbraw/zinc/21/78/23/1127217823.db2.gz MEEVJHNYJLZQFT-UHFFFAOYSA-N 0 1 283.331 3.840 20 0 CHADMN CC(C)Cn1ccnc1NCc1cccc2cc[nH]c21 ZINC000285247930 1127220883 /nfs/dbraw/zinc/22/08/83/1127220883.db2.gz RROHFQREOXYRSB-UHFFFAOYSA-N 0 1 268.364 3.633 20 0 CHADMN COCCCC[C@H](NCc1cc(C)no1)c1ccccc1 ZINC000352365170 1127226775 /nfs/dbraw/zinc/22/67/75/1127226775.db2.gz ODGQCXKLPCRZLD-KRWDZBQOSA-N 0 1 288.391 3.631 20 0 CHADMN Cc1ccccc1CN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000589604711 1127229250 /nfs/dbraw/zinc/22/92/50/1127229250.db2.gz JGDFJHMZPWCUQD-APWZRJJASA-N 0 1 281.399 3.957 20 0 CHADMN CC[C@H](NCc1cc(C)[nH]n1)c1ccccc1OC(F)F ZINC000589639361 1127231911 /nfs/dbraw/zinc/23/19/11/1127231911.db2.gz BPXGYLIGVJUAOS-ZDUSSCGKSA-N 0 1 295.333 3.560 20 0 CHADMN CC[C@H](NCc1cc(C)n[nH]1)c1ccccc1OC(F)F ZINC000589639361 1127231914 /nfs/dbraw/zinc/23/19/14/1127231914.db2.gz BPXGYLIGVJUAOS-ZDUSSCGKSA-N 0 1 295.333 3.560 20 0 CHADMN Cn1nc(CN[C@H](c2cccs2)C2CC2)c2ccccc21 ZINC000589638882 1127231945 /nfs/dbraw/zinc/23/19/45/1127231945.db2.gz BZMVFQINZHJEQN-KRWDZBQOSA-N 0 1 297.427 3.876 20 0 CHADMN C[C@H](c1ccccc1F)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000352440274 1127233431 /nfs/dbraw/zinc/23/34/31/1127233431.db2.gz MXKHODAOPYCHHS-KBRIMQKVSA-N 0 1 289.394 3.920 20 0 CHADMN Clc1cccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000352448803 1127234330 /nfs/dbraw/zinc/23/43/30/1127234330.db2.gz VMQRFHNVPSERKK-HOTGVXAUSA-N 0 1 291.822 3.874 20 0 CHADMN CC(C)n1nccc1CN[C@@H]1CCc2sc(Cl)cc21 ZINC000352467201 1127234509 /nfs/dbraw/zinc/23/45/09/1127234509.db2.gz XQXWIFDFKOQYPQ-GFCCVEGCSA-N 0 1 295.839 3.956 20 0 CHADMN Cc1cc(-c2ccc(F)c(CN(C)C)c2)cc(C)c1N ZINC000665199280 1127236317 /nfs/dbraw/zinc/23/63/17/1127236317.db2.gz ANEOFYLRTFZQLF-UHFFFAOYSA-N 0 1 272.367 3.753 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2cc(C)ccn2)s1 ZINC000285570488 1127238051 /nfs/dbraw/zinc/23/80/51/1127238051.db2.gz HWVOKABMMUMKBO-LBPRGKRZSA-N 0 1 260.406 3.865 20 0 CHADMN Cc1ccnc([C@H](C)N[C@H]2CCc3ccccc32)c1 ZINC000285649174 1127239716 /nfs/dbraw/zinc/23/97/16/1127239716.db2.gz MECKMFXWCFGMFZ-BBRMVZONSA-N 0 1 252.361 3.728 20 0 CHADMN CCc1ccc(CNCc2ccc3[nH]c(C)cc3c2)o1 ZINC000285623129 1127240178 /nfs/dbraw/zinc/24/01/78/1127240178.db2.gz YECDWLNLOUWQMA-UHFFFAOYSA-N 0 1 268.360 3.922 20 0 CHADMN C[C@H](Cc1ccccc1F)N[C@H](C)c1c(F)cncc1F ZINC000285696258 1127240644 /nfs/dbraw/zinc/24/06/44/1127240644.db2.gz OMTCOXWHWBYCJJ-GHMZBOCLSA-N 0 1 294.320 3.781 20 0 CHADMN Cc1cccc(C2(C(=O)Nc3ccc4nc[nH]c4c3)CC2)c1 ZINC000352628708 1127240851 /nfs/dbraw/zinc/24/08/51/1127240851.db2.gz BLYKZCVRKHTCIH-UHFFFAOYSA-N 0 1 291.354 3.542 20 0 CHADMN COCc1ccccc1/C=C(/C)CN(C)Cc1ccccn1 ZINC000352880045 1127248048 /nfs/dbraw/zinc/24/80/48/1127248048.db2.gz WVOGCLUESTWPMJ-VBKFSLOCSA-N 0 1 296.414 3.763 20 0 CHADMN COCC[C@H](N[C@H](C)c1cnccc1C)c1ccc(C)o1 ZINC000352970389 1127255433 /nfs/dbraw/zinc/25/54/33/1127255433.db2.gz UTMGIMJLFPONHD-ZBFHGGJFSA-N 0 1 288.391 3.720 20 0 CHADMN Cc1n[nH]cc1CN[C@@H](CCC(C)C)c1ccoc1 ZINC000286114421 1127259565 /nfs/dbraw/zinc/25/95/65/1127259565.db2.gz NFDMRADNCBOZIE-HNNXBMFYSA-N 0 1 261.369 3.578 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@H](C)c2cccc(O)c2)c1 ZINC000286281747 1127264877 /nfs/dbraw/zinc/26/48/77/1127264877.db2.gz VSXLCHASSPKHBM-CHWSQXEVSA-N 0 1 256.349 3.507 20 0 CHADMN Cc1ccccc1[C@H]1CN(CCCCF)[C@H](C)CO1 ZINC000286332266 1127265815 /nfs/dbraw/zinc/26/58/15/1127265815.db2.gz IFCXTBSACWXQDA-GDBMZVCRSA-N 0 1 265.372 3.507 20 0 CHADMN Cc1cc(C)n(CCN(C)[C@H](C)c2ccccc2Cl)n1 ZINC000068810814 1127268865 /nfs/dbraw/zinc/26/88/65/1127268865.db2.gz RUBHMPHQSIGZNF-CQSZACIVSA-N 0 1 291.826 3.846 20 0 CHADMN CC(C)(C)c1ccc(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)s1 ZINC000166283488 1127271450 /nfs/dbraw/zinc/27/14/50/1127271450.db2.gz LMHGOIPUIQXMPR-INIZCTEOSA-N 0 1 295.448 3.732 20 0 CHADMN CC(C)C[C@H](C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000286644518 1127271460 /nfs/dbraw/zinc/27/14/60/1127271460.db2.gz FGYOGJHLWVYZLF-QMMMGPOBSA-N 0 1 273.735 3.805 20 0 CHADMN CC[C@@H]1CCC[N@H+]1Cc1cc(Cl)c([O-])cc1F ZINC001238149119 1131175195 /nfs/dbraw/zinc/17/51/95/1131175195.db2.gz FZWWOPCJCNUEGZ-SNVBAGLBSA-N 0 1 257.736 3.559 20 0 CHADMN Fc1cc(Br)ccc1CN1CCC[C@H]1C1CC1 ZINC000590788373 1127273019 /nfs/dbraw/zinc/27/30/19/1127273019.db2.gz CGCSHFXDBIUMSB-AWEZNQCLSA-N 0 1 298.199 3.963 20 0 CHADMN CC(C)(C)c1nc(CN2CCC[C@H]2C2CC2)cs1 ZINC000590788389 1127273366 /nfs/dbraw/zinc/27/33/66/1127273366.db2.gz YVYHCFWEHNIYKX-ZDUSSCGKSA-N 0 1 264.438 3.815 20 0 CHADMN C[C@@H]1CCN(Cc2ncccc2C(F)(F)F)C[C@H]1C ZINC000353893995 1127276420 /nfs/dbraw/zinc/27/64/20/1127276420.db2.gz BPPSXNOTTWGLGQ-GHMZBOCLSA-N 0 1 272.314 3.578 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cnc3n[nH]c(C)c3c2)o1 ZINC000353918600 1127278679 /nfs/dbraw/zinc/27/86/79/1127278679.db2.gz ZBQGEBFNUGLRIL-OAHLLOKOSA-N 0 1 296.374 3.505 20 0 CHADMN CCN1CCCC[C@H]1C(=O)Nc1cccc(C(C)C)c1 ZINC000591093411 1127285279 /nfs/dbraw/zinc/28/52/79/1127285279.db2.gz YMXPAXGZENOMQI-INIZCTEOSA-N 0 1 274.408 3.623 20 0 CHADMN CCC(=O)CC[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000287023737 1127282166 /nfs/dbraw/zinc/28/21/66/1127282166.db2.gz RRHUHCRFEXAINJ-ZDUSSCGKSA-N 0 1 251.395 3.500 20 0 CHADMN CCC(=O)CCN1CC(C)(C)[C@@H]1c1cccs1 ZINC000287023737 1127282167 /nfs/dbraw/zinc/28/21/67/1127282167.db2.gz RRHUHCRFEXAINJ-ZDUSSCGKSA-N 0 1 251.395 3.500 20 0 CHADMN Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000353971109 1127282432 /nfs/dbraw/zinc/28/24/32/1127282432.db2.gz IEAYEECLLVGFAD-PIGZYNQJSA-N 0 1 287.382 3.749 20 0 CHADMN Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000353971107 1127282810 /nfs/dbraw/zinc/28/28/10/1127282810.db2.gz IEAYEECLLVGFAD-DIFFPNOSSA-N 0 1 287.382 3.749 20 0 CHADMN Cc1nocc1C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000354009712 1127285038 /nfs/dbraw/zinc/28/50/38/1127285038.db2.gz KKHPNEVONLHRSD-CYBMUJFWSA-N 0 1 276.767 3.626 20 0 CHADMN Cc1nocc1CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000354009712 1127285039 /nfs/dbraw/zinc/28/50/39/1127285039.db2.gz KKHPNEVONLHRSD-CYBMUJFWSA-N 0 1 276.767 3.626 20 0 CHADMN C[C@H](C(=O)c1c[nH]c2ncccc12)N1CC[C@H](C)C(C)(C)C1 ZINC000354001070 1127285137 /nfs/dbraw/zinc/28/51/37/1127285137.db2.gz GMGQWSJXHZDRBU-QWHCGFSZSA-N 0 1 299.418 3.502 20 0 CHADMN O=C(C[C@@H]1C=CCCC1)Nc1cc(Cl)c(O)cc1F ZINC000287078798 1127286697 /nfs/dbraw/zinc/28/66/97/1127286697.db2.gz VUCLSXKPWDBONO-SECBINFHSA-N 0 1 283.730 3.870 20 0 CHADMN O=C(C/C=C\c1ccc(F)cc1)Nc1ccc2nc[nH]c2c1 ZINC000354043507 1127288189 /nfs/dbraw/zinc/28/81/89/1127288189.db2.gz NLNYMQVYKWXUEA-UPHRSURJSA-N 0 1 295.317 3.744 20 0 CHADMN CC[C@]1(C)CCN(Cc2ncccc2C(F)(F)F)C1 ZINC000354100606 1127293323 /nfs/dbraw/zinc/29/33/23/1127293323.db2.gz NRZKCOMBRPWDGY-CYBMUJFWSA-N 0 1 272.314 3.722 20 0 CHADMN C[C@]1(CCc2ccccc2)CCN(Cc2nccs2)C1 ZINC000354097086 1127292197 /nfs/dbraw/zinc/29/21/97/1127292197.db2.gz NBIKUQCLQTUMRG-KRWDZBQOSA-N 0 1 286.444 3.988 20 0 CHADMN Cc1occc1CNCc1ccc(C(F)F)cc1 ZINC000354159415 1127296720 /nfs/dbraw/zinc/29/67/20/1127296720.db2.gz UPKPTIVDZKBXEY-UHFFFAOYSA-N 0 1 251.276 3.815 20 0 CHADMN C[C@H](CCc1ccccc1)NCc1nccc(C(F)F)n1 ZINC000287225016 1127297327 /nfs/dbraw/zinc/29/73/27/1127297327.db2.gz XUGYYFFHQPXTDA-GFCCVEGCSA-N 0 1 291.345 3.525 20 0 CHADMN Cc1noc([C@@H]2CCCN2CCC2CCCCCC2)n1 ZINC000573288070 1127303787 /nfs/dbraw/zinc/30/37/87/1127303787.db2.gz JMIRWRKIOWJVJK-HNNXBMFYSA-N 0 1 277.412 3.875 20 0 CHADMN Cc1c2ccccc2oc1CNCc1cnccc1C ZINC000354337071 1127304231 /nfs/dbraw/zinc/30/42/31/1127304231.db2.gz ZZCSJNLVOYASJE-UHFFFAOYSA-N 0 1 266.344 3.734 20 0 CHADMN CC(C)c1ccsc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000354342609 1127304261 /nfs/dbraw/zinc/30/42/61/1127304261.db2.gz XRUVPDYPOPLKCX-UHFFFAOYSA-N 0 1 290.392 3.509 20 0 CHADMN CC(C)c1ccsc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000354342609 1127304264 /nfs/dbraw/zinc/30/42/64/1127304264.db2.gz XRUVPDYPOPLKCX-UHFFFAOYSA-N 0 1 290.392 3.509 20 0 CHADMN C[C@H](NC[C@H]1C[C@@H]1C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000573249266 1127304562 /nfs/dbraw/zinc/30/45/62/1127304562.db2.gz CAJABHTYOAGIIO-JBLDHEPKSA-N 0 1 291.782 3.697 20 0 CHADMN CCOC(=O)c1ccc(CNCc2cccc(C3CC3)c2)o1 ZINC000591503226 1127305784 /nfs/dbraw/zinc/30/57/84/1127305784.db2.gz HNEODOZATNXKGI-UHFFFAOYSA-N 0 1 299.370 3.624 20 0 CHADMN CCCCc1noc(CN([C@H](C)[C@H](C)CC)C2CC2)n1 ZINC000591474980 1127305957 /nfs/dbraw/zinc/30/59/57/1127305957.db2.gz MMYDCSHJXCWZQN-CHWSQXEVSA-N 0 1 279.428 3.811 20 0 CHADMN CCn1cc(CN2Cc3cc(C)ccc3CC2(C)C)cn1 ZINC000354431383 1127307861 /nfs/dbraw/zinc/30/78/61/1127307861.db2.gz NEVYJXZMZYVQNP-UHFFFAOYSA-N 0 1 283.419 3.548 20 0 CHADMN C[C@@H]1COCC[C@H]1CN[C@@H](CCc1ccccc1)C(F)F ZINC000287483426 1127308020 /nfs/dbraw/zinc/30/80/20/1127308020.db2.gz MXLLBPGCFAXKCL-KBMXLJTQSA-N 0 1 297.389 3.515 20 0 CHADMN Oc1cccnc1C[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000573486724 1127316199 /nfs/dbraw/zinc/31/61/99/1127316199.db2.gz OUIPXZICUQSMFX-QGZVFWFLSA-N 0 1 296.414 3.775 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000573486724 1127316203 /nfs/dbraw/zinc/31/62/03/1127316203.db2.gz OUIPXZICUQSMFX-QGZVFWFLSA-N 0 1 296.414 3.775 20 0 CHADMN [O-]c1cccnc1C[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000573486724 1127316208 /nfs/dbraw/zinc/31/62/08/1127316208.db2.gz OUIPXZICUQSMFX-QGZVFWFLSA-N 0 1 296.414 3.775 20 0 CHADMN CC[C@H](NCc1cnccc1OC)c1ccc(Cl)cc1 ZINC000287665282 1127312015 /nfs/dbraw/zinc/31/20/15/1127312015.db2.gz HIWRMCKWMDAFGN-HNNXBMFYSA-N 0 1 290.794 3.985 20 0 CHADMN CC[C@@H](NCc1cnccc1OC)c1ccc(Cl)cc1 ZINC000287665285 1127312134 /nfs/dbraw/zinc/31/21/34/1127312134.db2.gz HIWRMCKWMDAFGN-OAHLLOKOSA-N 0 1 290.794 3.985 20 0 CHADMN COc1ccncc1CN[C@@H](C)c1ccc(C)cc1C ZINC000287899887 1127314113 /nfs/dbraw/zinc/31/41/13/1127314113.db2.gz URONJYXHXFZJIA-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN COC[C@H](N[C@@H](C)CSC)c1cccc(Cl)c1F ZINC000287889653 1127314430 /nfs/dbraw/zinc/31/44/30/1127314430.db2.gz YYGMUEWTIQVSSJ-CABZTGNLSA-N 0 1 291.819 3.508 20 0 CHADMN Cc1c(Cl)ccc(CN(C)C[C@@H]2CCCCO2)c1F ZINC001238518708 1131212806 /nfs/dbraw/zinc/21/28/06/1131212806.db2.gz WHMJHJQSBSTUAI-ZDUSSCGKSA-N 0 1 285.790 3.788 20 0 CHADMN CC[C@H](CSC)N(C)c1ccnc(C)c1Cl ZINC000355115011 1127317642 /nfs/dbraw/zinc/31/76/42/1127317642.db2.gz WNDUPYSIWDGATH-SNVBAGLBSA-N 0 1 258.818 3.621 20 0 CHADMN C[C@H]1c2c(Cl)cc(Cl)cc2CCN1Cc1cnc[nH]1 ZINC000355134035 1127319296 /nfs/dbraw/zinc/31/92/96/1127319296.db2.gz MBMYMCCPUJDNTC-VIFPVBQESA-N 0 1 296.201 3.836 20 0 CHADMN C[N@@H+](Cc1cnc(-c2ccco2)s1)C(C)(C)C ZINC000573565399 1127320541 /nfs/dbraw/zinc/32/05/41/1127320541.db2.gz IWSDXKHTIQVIDN-UHFFFAOYSA-N 0 1 250.367 3.633 20 0 CHADMN CC[C@H](C)[C@@H](C)N(C(=O)c1cccc2c[nH]nc21)C1CC1 ZINC000355202370 1127325334 /nfs/dbraw/zinc/32/53/34/1127325334.db2.gz CXSNLMZCWAUTCD-NWDGAFQWSA-N 0 1 285.391 3.602 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1csc(COC)n1 ZINC000355213302 1127326498 /nfs/dbraw/zinc/32/64/98/1127326498.db2.gz QHRFZAFJQZTZFZ-CQSZACIVSA-N 0 1 282.453 3.834 20 0 CHADMN C[C@@H](CCN1CCC[C@@H]1c1ncc[nH]1)OCc1ccccc1 ZINC000355302807 1127332171 /nfs/dbraw/zinc/33/21/71/1127332171.db2.gz CMTJYTQCHZQLFK-DOTOQJQBSA-N 0 1 299.418 3.542 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000573690608 1127328610 /nfs/dbraw/zinc/32/86/10/1127328610.db2.gz ZPUYSGWSKNALDJ-HNNXBMFYSA-N 0 1 275.392 3.785 20 0 CHADMN Cc1cc(OC(C)C)cc(C)c1CN1CC(C(F)F)C1 ZINC001238673336 1131230069 /nfs/dbraw/zinc/23/00/69/1131230069.db2.gz JCAMFBLKLGYSOM-UHFFFAOYSA-N 0 1 283.362 3.788 20 0 CHADMN CO[C@H](C)c1nc(CN2CCC[C@@H]2C(C)(C)C)cs1 ZINC000355331669 1127333962 /nfs/dbraw/zinc/33/39/62/1127333962.db2.gz MAZNYYGCEWKQPV-DGCLKSJQSA-N 0 1 282.453 3.861 20 0 CHADMN C[N@@H+](CCC1=CCCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000573974969 1127346677 /nfs/dbraw/zinc/34/66/77/1127346677.db2.gz HGNWPVVEJQUCSU-KRWDZBQOSA-N 0 1 287.403 3.505 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000592442534 1127348616 /nfs/dbraw/zinc/34/86/16/1127348616.db2.gz GTYKEBQTYNIJPP-QWHCGFSZSA-N 0 1 299.418 3.734 20 0 CHADMN Cc1nccc(N2CC[C@@H](CC(F)(F)F)C2)c1Cl ZINC000355657448 1127355806 /nfs/dbraw/zinc/35/58/06/1127355806.db2.gz AJHZDFWUELEREN-VIFPVBQESA-N 0 1 278.705 3.822 20 0 CHADMN COCC[C@@H](Nc1ccnc(C)c1Cl)c1ccc(C)o1 ZINC000355672030 1127357950 /nfs/dbraw/zinc/35/79/50/1127357950.db2.gz MLMGWGSQYRMOME-GFCCVEGCSA-N 0 1 294.782 3.556 20 0 CHADMN CCOCCN(Cc1ccco1)Cc1cccc(C)c1 ZINC000355737148 1127361324 /nfs/dbraw/zinc/36/13/24/1127361324.db2.gz QKRJJQOSJBVUJV-UHFFFAOYSA-N 0 1 273.376 3.627 20 0 CHADMN CCOC(=O)CCN([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000355951511 1127368777 /nfs/dbraw/zinc/36/87/77/1127368777.db2.gz WIPZQSQJLSQUFO-LBPRGKRZSA-N 0 1 295.810 3.819 20 0 CHADMN FC(F)(F)CCCCN1CCC=C(c2cccnc2)C1 ZINC000289045105 1127371854 /nfs/dbraw/zinc/37/18/54/1127371854.db2.gz BSJKSTOAQFKOGU-UHFFFAOYSA-N 0 1 284.325 3.903 20 0 CHADMN CC1(C)CC[C@@H](CN2CCc3c(Cl)cccc3C2)O1 ZINC000480533159 1127373211 /nfs/dbraw/zinc/37/32/11/1127373211.db2.gz ADNZMHMDQMQZAB-ZDUSSCGKSA-N 0 1 279.811 3.656 20 0 CHADMN CC[C@@H](C(=O)OC(C)(C)C)N(C)CCCCC(F)(F)F ZINC000593115319 1127374345 /nfs/dbraw/zinc/37/43/45/1127374345.db2.gz CRTGRWMWQJZGQP-NSHDSACASA-N 0 1 297.361 3.771 20 0 CHADMN CCn1nc(C)c(CNCC[C@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC001308389854 1127376677 /nfs/dbraw/zinc/37/66/77/1127376677.db2.gz CHRGCLHOKLWNNI-ZFWWWQNUSA-N 0 1 292.471 3.549 20 0 CHADMN c1cc([C@@H]2CCCCN2Cc2cccc3[nH]ccc32)n[nH]1 ZINC000289333766 1127381535 /nfs/dbraw/zinc/38/15/35/1127381535.db2.gz GZJVKEMTJLRXQC-KRWDZBQOSA-N 0 1 280.375 3.618 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)CCCC(F)(F)F)ccc12 ZINC000356309679 1127382058 /nfs/dbraw/zinc/38/20/58/1127382058.db2.gz ZBKFEYXPVPNKBQ-UHFFFAOYSA-N 0 1 285.269 3.542 20 0 CHADMN CC/C=C\CCN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000466826668 1127386049 /nfs/dbraw/zinc/38/60/49/1127386049.db2.gz RYETZMBANZJECT-XQJUWPJRSA-N 0 1 259.393 3.805 20 0 CHADMN CC(C)CC1(C)CCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000356483644 1127383601 /nfs/dbraw/zinc/38/36/01/1127383601.db2.gz UOAVRPLMPGLEIX-UHFFFAOYSA-N 0 1 299.418 3.851 20 0 CHADMN COC[C@@H](CC(C)C)N[C@H](C)c1c(F)cccc1F ZINC000480907354 1127384907 /nfs/dbraw/zinc/38/49/07/1127384907.db2.gz ZWWNMATWACXCCS-VXGBXAGGSA-N 0 1 271.351 3.677 20 0 CHADMN COC[C@H](CC(C)C)N[C@H](C)c1c(F)cccc1F ZINC000480907351 1127385088 /nfs/dbraw/zinc/38/50/88/1127385088.db2.gz ZWWNMATWACXCCS-NEPJUHHUSA-N 0 1 271.351 3.677 20 0 CHADMN CSCc1cnc(CN[C@@H]2C[C@H]2CC(C)(C)C)s1 ZINC000593660490 1127394216 /nfs/dbraw/zinc/39/42/16/1127394216.db2.gz HJJZRWUQWAKZBV-CMPLNLGQSA-N 0 1 284.494 3.920 20 0 CHADMN CSc1ccccc1CN(Cc1ccncc1)C1CC1 ZINC000358056710 1127399596 /nfs/dbraw/zinc/39/95/96/1127399596.db2.gz GJBIOFGPNXSMFU-UHFFFAOYSA-N 0 1 284.428 3.968 20 0 CHADMN CSc1ccccc1CN[C@H](C)c1cccc(O)c1 ZINC000358069387 1127400365 /nfs/dbraw/zinc/40/03/65/1127400365.db2.gz YHBLJTAECVZCIF-GFCCVEGCSA-N 0 1 273.401 3.965 20 0 CHADMN CSc1ccccc1CN1CCOCC12CCCC2 ZINC000358068814 1127400759 /nfs/dbraw/zinc/40/07/59/1127400759.db2.gz WXCKUPPFTMKTKE-UHFFFAOYSA-N 0 1 277.433 3.554 20 0 CHADMN CCC1(C[NH2+]Cc2nc(C)ccc2[O-])CCCCC1 ZINC000358140154 1127403889 /nfs/dbraw/zinc/40/38/89/1127403889.db2.gz OFSZKDWZRLVWAI-UHFFFAOYSA-N 0 1 262.397 3.546 20 0 CHADMN CCSc1ccccc1[C@H](C)NCc1c[nH]nc1C ZINC000358171559 1127406235 /nfs/dbraw/zinc/40/62/35/1127406235.db2.gz RRGFJKJLHMYEBI-LBPRGKRZSA-N 0 1 275.421 3.681 20 0 CHADMN Cc1n[nH]cc1CN[C@H]1CCCOc2ccc(C(C)C)cc21 ZINC000358173545 1127406404 /nfs/dbraw/zinc/40/64/04/1127406404.db2.gz VUXLNKXVWQDJBH-KRWDZBQOSA-N 0 1 299.418 3.845 20 0 CHADMN FC(F)(F)[C@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC000761045801 1127408016 /nfs/dbraw/zinc/40/80/16/1127408016.db2.gz HRBYBYPUINQAQN-JTQLQIEISA-N 0 1 263.690 3.724 20 0 CHADMN CCc1nc([C@H](C)N[C@H](C)c2ccc(F)c(Cl)c2)n[nH]1 ZINC000358235498 1127409520 /nfs/dbraw/zinc/40/95/20/1127409520.db2.gz IOURILSGQSWBIX-BDAKNGLRSA-N 0 1 296.777 3.571 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](C)c2ccc3ccccc3c2)n[nH]1 ZINC000358268499 1127412271 /nfs/dbraw/zinc/41/22/71/1127412271.db2.gz RXDRFSCPMBRNDO-QWHCGFSZSA-N 0 1 294.402 3.932 20 0 CHADMN CCC1(CC)CCCN(C(=O)[C@H]2CCN2C(C)(C)C)CC1 ZINC001296443815 1127412820 /nfs/dbraw/zinc/41/28/20/1127412820.db2.gz AABLXRVYJRYYTB-OAHLLOKOSA-N 0 1 294.483 3.678 20 0 CHADMN CSCCC[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000157987095 1127413304 /nfs/dbraw/zinc/41/33/04/1127413304.db2.gz FVMJOPDFKBCVOR-IJEWVQPXSA-N 0 1 279.449 3.590 20 0 CHADMN CSCCCN1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000157987095 1127413306 /nfs/dbraw/zinc/41/33/06/1127413306.db2.gz FVMJOPDFKBCVOR-IJEWVQPXSA-N 0 1 279.449 3.590 20 0 CHADMN COc1cc(F)cc(CN[C@@H]2CSc3ccccc32)c1 ZINC000358298677 1127414297 /nfs/dbraw/zinc/41/42/97/1127414297.db2.gz LSQILALCXICALD-OAHLLOKOSA-N 0 1 289.375 3.771 20 0 CHADMN CC(C)c1nnc(CN[C@H](C)Cc2ccc(F)cc2)s1 ZINC000358307232 1127414920 /nfs/dbraw/zinc/41/49/20/1127414920.db2.gz WLSFGQDRIAXQSL-LLVKDONJSA-N 0 1 293.411 3.521 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@H](c2cccnc2)C2CC2)cn1 ZINC000358353478 1127417199 /nfs/dbraw/zinc/41/71/99/1127417199.db2.gz OPDJJVZHGNOVTF-GUYCJALGSA-N 0 1 284.407 3.661 20 0 CHADMN C[C@@H]1CCCCCN1Cc1nc(-c2ccsc2)no1 ZINC000358389688 1127419372 /nfs/dbraw/zinc/41/93/72/1127419372.db2.gz AGFHGQXRRODNHL-LLVKDONJSA-N 0 1 277.393 3.563 20 0 CHADMN C[C@H]1CCCCCN1Cc1nc(-c2cccs2)no1 ZINC000358405363 1127419919 /nfs/dbraw/zinc/41/99/19/1127419919.db2.gz YXPYSDHGPTUYGU-NSHDSACASA-N 0 1 277.393 3.563 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cc(F)c(F)c(F)c1 ZINC000358497627 1127423755 /nfs/dbraw/zinc/42/37/55/1127423755.db2.gz BZPVBTMSWNRZAR-SNVBAGLBSA-N 0 1 294.320 3.912 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@@H]2CCc3cccnc32)cc1 ZINC000226811196 1127426228 /nfs/dbraw/zinc/42/62/28/1127426228.db2.gz YVSCIXBDCRBLLM-CXAGYDPISA-N 0 1 282.387 3.818 20 0 CHADMN COc1ccc([C@H](C)N[C@H]2CCc3cccnc32)cc1F ZINC000226810145 1127426307 /nfs/dbraw/zinc/42/63/07/1127426307.db2.gz MKLGTQKIXRTIRU-NHYWBVRUSA-N 0 1 286.350 3.567 20 0 CHADMN CCCN(CC(=O)OC(C)(C)C)C[C@@H](C)c1ccccc1 ZINC001308673003 1127426528 /nfs/dbraw/zinc/42/65/28/1127426528.db2.gz PRFHNSLGFDSXPO-OAHLLOKOSA-N 0 1 291.435 3.844 20 0 CHADMN CCc1nc([C@H](C)SCc2c(F)cccc2F)n[nH]1 ZINC000594897831 1127432956 /nfs/dbraw/zinc/43/29/56/1127432956.db2.gz SYBOAYAFWAFRJX-QMMMGPOBSA-N 0 1 283.347 3.640 20 0 CHADMN COCC1(C)CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000358754796 1127433372 /nfs/dbraw/zinc/43/33/72/1127433372.db2.gz UNNGXYTXUGOOPR-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1ccn(C2CCCC2)n1 ZINC000358738904 1127432795 /nfs/dbraw/zinc/43/27/95/1127432795.db2.gz SZZQLTLMTCXQTM-AWEZNQCLSA-N 0 1 281.469 3.572 20 0 CHADMN Cc1nc2ccc(CSc3ccccn3)cc2[nH]1 ZINC000358859373 1127436498 /nfs/dbraw/zinc/43/64/98/1127436498.db2.gz IFFILBYFZUZOHF-UHFFFAOYSA-N 0 1 255.346 3.559 20 0 CHADMN Cc1csc2c1ncnc2NCc1cccc2cc[nH]c21 ZINC000358900127 1127438429 /nfs/dbraw/zinc/43/84/29/1127438429.db2.gz HMBDNHJYQOONNG-UHFFFAOYSA-N 0 1 294.383 3.515 20 0 CHADMN COc1cc2c(cc1F)nccc2NCc1cccc(O)c1 ZINC000358929749 1127439759 /nfs/dbraw/zinc/43/97/59/1127439759.db2.gz JFJGFEYNCQNYTG-UHFFFAOYSA-N 0 1 298.317 3.700 20 0 CHADMN COc1ccc(-c2ccncc2)cc1CNC(C)(C)CF ZINC000358981495 1127442171 /nfs/dbraw/zinc/44/21/71/1127442171.db2.gz IVBRLYUNOZFRJW-UHFFFAOYSA-N 0 1 288.366 3.595 20 0 CHADMN Cc1csc(C2(N[C@H](C)CSCCF)CCC2)n1 ZINC000595022066 1127442612 /nfs/dbraw/zinc/44/26/12/1127442612.db2.gz HNUILVYEHXWSBV-LLVKDONJSA-N 0 1 288.457 3.512 20 0 CHADMN CCC(CC)c1cc(CN[C@H](C)CSCCF)on1 ZINC000595023982 1127443168 /nfs/dbraw/zinc/44/31/68/1127443168.db2.gz DLTOVNJHGINBIA-LLVKDONJSA-N 0 1 288.432 3.759 20 0 CHADMN Cc1cc2[nH]c(CNCc3ccc(F)cn3)cc2c(C)c1 ZINC000359012090 1127444809 /nfs/dbraw/zinc/44/48/09/1127444809.db2.gz CONJPTJISZETBO-UHFFFAOYSA-N 0 1 283.350 3.609 20 0 CHADMN Cc1ccc([C@H](N[C@@H](C)[C@H]2CCCO2)c2ccccn2)cc1 ZINC000359012573 1127445004 /nfs/dbraw/zinc/44/50/04/1127445004.db2.gz FPBVLKYHEGLWRW-IPELMVKDSA-N 0 1 296.414 3.637 20 0 CHADMN Cc1nc2ccc(NC(=O)c3ccoc3C(C)C)cc2[nH]1 ZINC000359104339 1127449561 /nfs/dbraw/zinc/44/95/61/1127449561.db2.gz LCEPKIZALPDGBX-UHFFFAOYSA-N 0 1 283.331 3.840 20 0 CHADMN CCc1nc(C[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)cs1 ZINC000359299394 1127457295 /nfs/dbraw/zinc/45/72/95/1127457295.db2.gz LOIMHZOSFHIAQO-SWLSCSKDSA-N 0 1 264.438 3.718 20 0 CHADMN CCc1nc(CN2CC[C@@]3(CC[C@H](C)C3)C2)cs1 ZINC000359299394 1127457298 /nfs/dbraw/zinc/45/72/98/1127457298.db2.gz LOIMHZOSFHIAQO-SWLSCSKDSA-N 0 1 264.438 3.718 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1ccccn1)[C@H]2C ZINC000359304217 1127457572 /nfs/dbraw/zinc/45/75/72/1127457572.db2.gz VOKPICVLGNSMHC-KBPBESRZSA-N 0 1 282.387 3.598 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1cccnc1C)[C@@H]2C ZINC000359298065 1127457752 /nfs/dbraw/zinc/45/77/52/1127457752.db2.gz KFUWDOTXAVGGML-UKRRQHHQSA-N 0 1 296.414 3.906 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1cccnc1C)[C@@H]2C ZINC000359298065 1127457754 /nfs/dbraw/zinc/45/77/54/1127457754.db2.gz KFUWDOTXAVGGML-UKRRQHHQSA-N 0 1 296.414 3.906 20 0 CHADMN COc1ccnc(CN(Cc2ccc(F)cc2)C(C)C)c1 ZINC000359383403 1127461127 /nfs/dbraw/zinc/46/11/27/1127461127.db2.gz FLWKFBJXKGMKDR-UHFFFAOYSA-N 0 1 288.366 3.640 20 0 CHADMN CSCCCN(C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000595520220 1127465084 /nfs/dbraw/zinc/46/50/84/1127465084.db2.gz ZGXLPDDIOCGOGH-SNVBAGLBSA-N 0 1 297.855 3.962 20 0 CHADMN CC(C)c1noc([C@H](C)[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)n1 ZINC000359569496 1127468444 /nfs/dbraw/zinc/46/84/44/1127468444.db2.gz YVKIUOOMZXMXRL-WWGRRREGSA-N 0 1 277.412 3.766 20 0 CHADMN CC(C)c1noc([C@H](C)N2CC[C@]3(CC[C@@H](C)C3)C2)n1 ZINC000359569496 1127468446 /nfs/dbraw/zinc/46/84/46/1127468446.db2.gz YVKIUOOMZXMXRL-WWGRRREGSA-N 0 1 277.412 3.766 20 0 CHADMN c1ccc(C2CC2)c(CN[C@@H]2COCc3ccccc32)c1 ZINC000669573701 1127467086 /nfs/dbraw/zinc/46/70/86/1127467086.db2.gz JOGXMNHZTNXVGR-LJQANCHMSA-N 0 1 279.383 3.925 20 0 CHADMN C[C@@H]1CC[C@]2(CCN(CC(=O)c3c[nH]c4ccccc34)C2)C1 ZINC000359538344 1127467374 /nfs/dbraw/zinc/46/73/74/1127467374.db2.gz AVYPEKMVTFGEIH-KUHUBIRLSA-N 0 1 296.414 3.863 20 0 CHADMN COC(=O)c1ccc(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)s1 ZINC000359560287 1127467910 /nfs/dbraw/zinc/46/79/10/1127467910.db2.gz PXCLBMFUDQJTDA-LRDDRELGSA-N 0 1 293.432 3.547 20 0 CHADMN CC[C@]1(C)COCCN1Cc1ccc(C(F)F)cc1 ZINC000359577300 1127468591 /nfs/dbraw/zinc/46/85/91/1127468591.db2.gz GLIMEDMLYIYZHR-OAHLLOKOSA-N 0 1 269.335 3.625 20 0 CHADMN C[C@H]1N(Cc2ccc(C(F)F)cc2)CCOC1(C)C ZINC000359621502 1127469809 /nfs/dbraw/zinc/46/98/09/1127469809.db2.gz YTKQOQCCXONDFJ-LLVKDONJSA-N 0 1 269.335 3.624 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(C(F)F)cc1 ZINC000359615770 1127469929 /nfs/dbraw/zinc/46/99/29/1127469929.db2.gz MCPKKLQLUUGRRL-BXUZGUMPSA-N 0 1 269.335 3.624 20 0 CHADMN C[C@H](N[C@H](c1cccnc1)C1CC1)c1ccc(Cl)cn1 ZINC000359627410 1127470359 /nfs/dbraw/zinc/47/03/59/1127470359.db2.gz CFNCWKHJGZGZJC-ZBEGNZNMSA-N 0 1 287.794 3.932 20 0 CHADMN C[C@H](NCc1ccc2c(c1)COC2)c1ccc(Cl)cn1 ZINC000359627488 1127470997 /nfs/dbraw/zinc/47/09/97/1127470997.db2.gz CSGWOFUYCDRDBB-NSHDSACASA-N 0 1 288.778 3.616 20 0 CHADMN CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc([O-])c(Cl)c2)C1 ZINC000227376944 1127475334 /nfs/dbraw/zinc/47/53/34/1127475334.db2.gz OZXSFBSGEZHVAV-NWDGAFQWSA-N 0 1 285.840 3.809 20 0 CHADMN CO[C@H](C)CN1CCC[C@@H]1c1ccc(Br)cc1 ZINC000360004393 1127486421 /nfs/dbraw/zinc/48/64/21/1127486421.db2.gz OJPVZHFJCPJKTM-BXUZGUMPSA-N 0 1 298.224 3.621 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N1CCOCC2(CC2)C1 ZINC000360087321 1127489081 /nfs/dbraw/zinc/48/90/81/1127489081.db2.gz GTSMSWFGTAFPIK-GFCCVEGCSA-N 0 1 265.784 3.513 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H](CC(C)C)c2ccccc2C)c1C ZINC000360214856 1127492573 /nfs/dbraw/zinc/49/25/73/1127492573.db2.gz XYDIWWFEMMBVDO-MRXNPFEDSA-N 0 1 299.418 3.852 20 0 CHADMN Cc1cc(NCC[C@H](C)O)c2cc(Cl)cc(C)c2n1 ZINC000360272066 1127495000 /nfs/dbraw/zinc/49/50/00/1127495000.db2.gz MJHHAXAXAGAUJD-NSHDSACASA-N 0 1 278.783 3.688 20 0 CHADMN Cc1ccc(F)c(C(=O)Nc2cc3cn[nH]c3cc2C)c1 ZINC000360416592 1127498832 /nfs/dbraw/zinc/49/88/32/1127498832.db2.gz JXLALNBBKXKDKX-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc2ccccc2[nH]1 ZINC000360433188 1127498891 /nfs/dbraw/zinc/49/88/91/1127498891.db2.gz GXVGZELKUNUPHY-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)CCC1CCCC1 ZINC000360414399 1127498902 /nfs/dbraw/zinc/49/89/02/1127498902.db2.gz QBBSRXLJROEMCL-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN CCCc1nc(C[N@H+]2CCCC[C@@H](C)C2)cs1 ZINC000360606030 1127502542 /nfs/dbraw/zinc/50/25/42/1127502542.db2.gz YTZBVYWAGZDQQR-GFCCVEGCSA-N 0 1 252.427 3.718 20 0 CHADMN CCCc1nc(CN2CCCC[C@@H](C)C2)cs1 ZINC000360606030 1127502543 /nfs/dbraw/zinc/50/25/43/1127502543.db2.gz YTZBVYWAGZDQQR-GFCCVEGCSA-N 0 1 252.427 3.718 20 0 CHADMN CC(C)c1nc(CN2CCCC[C@@H](C)C2)cs1 ZINC000360629178 1127503742 /nfs/dbraw/zinc/50/37/42/1127503742.db2.gz LVKSQEAEZDBWHT-GFCCVEGCSA-N 0 1 252.427 3.889 20 0 CHADMN CC(C)Oc1c(CN2C[C@@H]3[C@H](C2)C3(C)C)ccc(F)c1F ZINC001238751697 1131239672 /nfs/dbraw/zinc/23/96/72/1131239672.db2.gz ZUMSSARYHFFUNP-BETUJISGSA-N 0 1 295.373 3.840 20 0 CHADMN C[C@@H](OC(=O)C1=CCCC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000761173262 1127504884 /nfs/dbraw/zinc/50/48/84/1127504884.db2.gz FDDLYJBIOQGQHE-SECBINFHSA-N 0 1 290.750 3.931 20 0 CHADMN CC(C)c1cnc(CN(C)[C@H](C)Cc2ccc(O)cc2)o1 ZINC000761173567 1127505178 /nfs/dbraw/zinc/50/51/78/1127505178.db2.gz RBLBDWJIXKXPKP-CYBMUJFWSA-N 0 1 288.391 3.567 20 0 CHADMN CC(C)CC[C@H](O)CN(C)Cc1nc2ccccc2s1 ZINC000360692585 1127506250 /nfs/dbraw/zinc/50/62/50/1127506250.db2.gz WKCPNZAIZNITTQ-ZDUSSCGKSA-N 0 1 292.448 3.525 20 0 CHADMN COc1cccc(CN[C@H](C)c2cccc(C3CC3)c2)n1 ZINC000293692325 1127513049 /nfs/dbraw/zinc/51/30/49/1127513049.db2.gz KYKBCSNQYWJVND-CYBMUJFWSA-N 0 1 282.387 3.818 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1CCc2cc(Cl)ccc21 ZINC000293698931 1127513490 /nfs/dbraw/zinc/51/34/90/1127513490.db2.gz LVQBNQIKBPPXCK-MRXNPFEDSA-N 0 1 290.794 3.976 20 0 CHADMN CCCc1nc(C)c(CN[C@H](C)c2ccccc2)o1 ZINC000293712097 1127514435 /nfs/dbraw/zinc/51/44/35/1127514435.db2.gz OYUWUUAOPOIHJO-GFCCVEGCSA-N 0 1 258.365 3.786 20 0 CHADMN CC1=CC[C@H](N[C@@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000293731614 1127516094 /nfs/dbraw/zinc/51/60/94/1127516094.db2.gz WIMIDDDJXFJEEJ-ZFWWWQNUSA-N 0 1 283.375 3.886 20 0 CHADMN C[C@H](N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cscn1 ZINC000293737770 1127516454 /nfs/dbraw/zinc/51/64/54/1127516454.db2.gz OYLDHMASKLXRSJ-JKOKRWQUSA-N 0 1 276.380 3.879 20 0 CHADMN Clc1ccsc1CN1CC2(CCOCC2)[C@H]1C1CC1 ZINC000293768456 1127519593 /nfs/dbraw/zinc/51/95/93/1127519593.db2.gz YJDYXIKACJAOOG-CQSZACIVSA-N 0 1 297.851 3.793 20 0 CHADMN CCc1noc(C)c1CN1C[C@H](C)C[C@H]1c1cccnc1 ZINC000360958410 1127524012 /nfs/dbraw/zinc/52/40/12/1127524012.db2.gz TVRHESNILZQZAJ-PXAZEXFGSA-N 0 1 285.391 3.524 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2c2ccsc2)cn1 ZINC000360973501 1127525671 /nfs/dbraw/zinc/52/56/71/1127525671.db2.gz COMZHDAKLZOBQD-OAHLLOKOSA-N 0 1 258.390 3.789 20 0 CHADMN CCN(CCSC)Cc1cccc(OC2CC2)c1F ZINC000597158510 1127530395 /nfs/dbraw/zinc/53/03/95/1127530395.db2.gz OSTKJOWUSYQMSN-UHFFFAOYSA-N 0 1 283.412 3.552 20 0 CHADMN CC[C@H]1c2ccsc2CCN1Cc1ccc(C)nc1 ZINC000360981600 1127526454 /nfs/dbraw/zinc/52/64/54/1127526454.db2.gz AKMHBYATSBTYGT-HNNXBMFYSA-N 0 1 272.417 3.961 20 0 CHADMN COc1ccc(C)cc1CN[C@H]1CCCc2c(O)cccc21 ZINC000360997841 1127527778 /nfs/dbraw/zinc/52/77/78/1127527778.db2.gz OEYXFTXTDWBLMY-KRWDZBQOSA-N 0 1 297.398 3.876 20 0 CHADMN C[C@H]1CCCCN(Cc2ncccc2C(F)(F)F)C1 ZINC000361039312 1127532419 /nfs/dbraw/zinc/53/24/19/1127532419.db2.gz XPYHYBMYGSPPIF-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN C[C@@H]1c2ccccc2CN1CCC(=O)Nc1ccccc1F ZINC000361054368 1127533793 /nfs/dbraw/zinc/53/37/93/1127533793.db2.gz BERCHQPTBMRDQV-CYBMUJFWSA-N 0 1 298.361 3.731 20 0 CHADMN FCCCCNCc1csc(COc2ccccc2)n1 ZINC000361055920 1127533875 /nfs/dbraw/zinc/53/38/75/1127533875.db2.gz XMEKXADCNYRCCD-UHFFFAOYSA-N 0 1 294.395 3.561 20 0 CHADMN COC(=O)c1ccc(CN[C@@H]2CCCc3c(C)cccc32)o1 ZINC000597240801 1127535621 /nfs/dbraw/zinc/53/56/21/1127535621.db2.gz RCYXXQCEKDRTGW-MRXNPFEDSA-N 0 1 299.370 3.542 20 0 CHADMN CC[C@]1(C)COCCN1Cc1cccc(-c2ccncc2)c1 ZINC000361150786 1127542672 /nfs/dbraw/zinc/54/26/72/1127542672.db2.gz BRYFCAFMXKITBN-LJQANCHMSA-N 0 1 296.414 3.750 20 0 CHADMN Cc1ccncc1CN[C@@H](CC(C)C)c1ccccn1 ZINC000361147227 1127542421 /nfs/dbraw/zinc/54/24/21/1127542421.db2.gz SCUMQIRQGRUOEM-KRWDZBQOSA-N 0 1 269.392 3.662 20 0 CHADMN Cc1cn[nH]c1CN1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000293981772 1127538219 /nfs/dbraw/zinc/53/82/19/1127538219.db2.gz RIBHDFWIJZLFMY-LBPRGKRZSA-N 0 1 295.308 3.774 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000361109824 1127538256 /nfs/dbraw/zinc/53/82/56/1127538256.db2.gz FPXOVOXOCUURQY-ARFHVFGLSA-N 0 1 285.497 3.600 20 0 CHADMN Cc1nc([C@H](C)NCCc2ccc3ccccc3n2)cs1 ZINC000361113338 1127538853 /nfs/dbraw/zinc/53/88/53/1127538853.db2.gz YKEIAEIMPMCUJU-LBPRGKRZSA-N 0 1 297.427 3.893 20 0 CHADMN CC/C=C/CCN1CCCC[C@@H]1c1nccn1CC ZINC000294040470 1127543911 /nfs/dbraw/zinc/54/39/11/1127543911.db2.gz IPSSZZMUQUYFLB-LLYBFZRZSA-N 0 1 261.413 3.786 20 0 CHADMN CCCC[C@@H](COC)N[C@H]1CCOc2c(F)ccc(F)c21 ZINC000361182259 1127544644 /nfs/dbraw/zinc/54/46/44/1127544644.db2.gz XTRMQCGSZYZUEQ-FZMZJTMJSA-N 0 1 299.361 3.583 20 0 CHADMN FC(F)C1CCC(Nc2cnn(-c3ccncc3)c2)CC1 ZINC000669617515 1127549582 /nfs/dbraw/zinc/54/95/82/1127549582.db2.gz BNABJTIXFONDCL-UHFFFAOYSA-N 0 1 292.333 3.503 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1cncc(C(F)(F)F)c1 ZINC000361294180 1127554057 /nfs/dbraw/zinc/55/40/57/1127554057.db2.gz CPXWPMSRCKRWCN-CYBMUJFWSA-N 0 1 272.314 3.721 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)N1CC[C@@H](C)[C@H]1C ZINC000361333567 1127557611 /nfs/dbraw/zinc/55/76/11/1127557611.db2.gz CKXKRWBQOWMUIG-GMTAPVOTSA-N 0 1 277.393 3.589 20 0 CHADMN Cc1ccccc1[C@@H](CC(F)(F)F)NCc1cnc[nH]1 ZINC000361337441 1127557761 /nfs/dbraw/zinc/55/77/61/1127557761.db2.gz RSCCSZYLKVAFME-CYBMUJFWSA-N 0 1 283.297 3.501 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccccc1)c1ccc2ccccc2n1 ZINC000361480945 1127566189 /nfs/dbraw/zinc/56/61/89/1127566189.db2.gz IAIYUKUXLRHYPA-KUHUBIRLSA-N 0 1 292.382 3.619 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000361547469 1127570786 /nfs/dbraw/zinc/57/07/86/1127570786.db2.gz GFXNDEKHRQCGPU-CYBMUJFWSA-N 0 1 289.379 3.588 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nccn1-c1ccccc1 ZINC000361496307 1127567637 /nfs/dbraw/zinc/56/76/37/1127567637.db2.gz KMVLHARUTBVUKZ-OAHLLOKOSA-N 0 1 269.392 3.637 20 0 CHADMN COc1ccncc1CN[C@H](C)c1cccc(C2CC2)c1 ZINC000294370249 1127568175 /nfs/dbraw/zinc/56/81/75/1127568175.db2.gz QYAHXZPZBKPMLU-CYBMUJFWSA-N 0 1 282.387 3.818 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cc2nc(-c3ccco3)no2)C1 ZINC000361545060 1127570542 /nfs/dbraw/zinc/57/05/42/1127570542.db2.gz YXYLXGZVRQIPNV-GFCCVEGCSA-N 0 1 289.379 3.588 20 0 CHADMN C[C@@H]1CCC[C@H](N(C)Cc2csc(N(C)C3CC3)n2)C1 ZINC000361640761 1127577713 /nfs/dbraw/zinc/57/77/13/1127577713.db2.gz VPHMMMZRFCBCPC-DOMZBBRYSA-N 0 1 293.480 3.752 20 0 CHADMN C[C@@H]1CCSCCN1Cc1cc(Cl)ccc1F ZINC000361647483 1127579320 /nfs/dbraw/zinc/57/93/20/1127579320.db2.gz YMEQCANQIMJLTH-SNVBAGLBSA-N 0 1 273.804 3.807 20 0 CHADMN C[C@@H]1C[C@H](CN(Cc2c(F)cccc2F)C2CC2)CCO1 ZINC000361735751 1127585518 /nfs/dbraw/zinc/58/55/18/1127585518.db2.gz UFEAOWVCIDNGCW-CHWSQXEVSA-N 0 1 295.373 3.744 20 0 CHADMN CC[C@@H](N[C@H]1CSc2ccccc21)c1ccncc1 ZINC000361765690 1127587764 /nfs/dbraw/zinc/58/77/64/1127587764.db2.gz PTCJLRYDZFQZMF-CABCVRRESA-N 0 1 270.401 3.969 20 0 CHADMN Cc1ccc2[nH]c(CN[C@@H](C)c3cccs3)nc2c1 ZINC000361813355 1127590554 /nfs/dbraw/zinc/59/05/54/1127590554.db2.gz OCKBVMSDCXNWHW-NSHDSACASA-N 0 1 271.389 3.784 20 0 CHADMN Cc1ccc2nc(CN[C@@H](C)c3cccs3)[nH]c2c1 ZINC000361813355 1127590556 /nfs/dbraw/zinc/59/05/56/1127590556.db2.gz OCKBVMSDCXNWHW-NSHDSACASA-N 0 1 271.389 3.784 20 0 CHADMN CC(C)(C[NH2+]Cc1cccc([O-])c1Cl)c1ccccn1 ZINC000294681340 1127591670 /nfs/dbraw/zinc/59/16/70/1127591670.db2.gz BNPAKCHEEJMCAX-UHFFFAOYSA-N 0 1 290.794 3.508 20 0 CHADMN Cc1cccc(C(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000170207610 1127597294 /nfs/dbraw/zinc/59/72/94/1127597294.db2.gz RMPFXCANLCMHPW-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN CC[C@@H](C)[C@@H](CNCc1ccnc(Cl)c1Cl)OC ZINC000294757674 1127597120 /nfs/dbraw/zinc/59/71/20/1127597120.db2.gz ITILOLNZWRQKGW-MWLCHTKSSA-N 0 1 291.222 3.539 20 0 CHADMN CCC1(NCc2csc(-c3cccs3)n2)CC1 ZINC000294919736 1127608274 /nfs/dbraw/zinc/60/82/74/1127608274.db2.gz YOAYITPFTNMMOI-UHFFFAOYSA-N 0 1 264.419 3.904 20 0 CHADMN Cc1sccc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000294933133 1127609286 /nfs/dbraw/zinc/60/92/86/1127609286.db2.gz OWRMEAKVTWRAKB-LLVKDONJSA-N 0 1 263.328 3.831 20 0 CHADMN COC(=O)c1oc(CNCc2cccc(C3CC3)c2)cc1C ZINC000602745711 1127609508 /nfs/dbraw/zinc/60/95/08/1127609508.db2.gz ZXZIZTWSZWAVLB-UHFFFAOYSA-N 0 1 299.370 3.542 20 0 CHADMN COC[C@H](CC(C)C)NCc1csc(-c2ccco2)n1 ZINC000362077575 1127609836 /nfs/dbraw/zinc/60/98/36/1127609836.db2.gz NXHXVTIXBGRLLL-LBPRGKRZSA-N 0 1 294.420 3.554 20 0 CHADMN CCSc1cc(CNCc2cccc(C)c2F)ccn1 ZINC000294963343 1127611184 /nfs/dbraw/zinc/61/11/84/1127611184.db2.gz FBIIHDBNBSUYOF-UHFFFAOYSA-N 0 1 290.407 3.931 20 0 CHADMN Cc1ncc(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)s1 ZINC000295043829 1127615673 /nfs/dbraw/zinc/61/56/73/1127615673.db2.gz OWXWRTSIQAKOLO-WPRPVWTQSA-N 0 1 278.343 3.614 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1cnns1 ZINC000295032208 1127615880 /nfs/dbraw/zinc/61/58/80/1127615880.db2.gz NDUKGAUUFGFCQB-WDEREUQCSA-N 0 1 295.839 3.816 20 0 CHADMN CC(C)c1nc(CNc2nc(-c3ccccc3)cs2)n[nH]1 ZINC000295004091 1127613252 /nfs/dbraw/zinc/61/32/52/1127613252.db2.gz RVYFRERSLPTZFF-UHFFFAOYSA-N 0 1 299.403 3.664 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000295145213 1127623836 /nfs/dbraw/zinc/62/38/36/1127623836.db2.gz CAWVDMJLMHVXRU-JKIFEVAISA-N 0 1 283.419 3.796 20 0 CHADMN Cc1ccsc1CNCc1cc(F)cnc1Cl ZINC000295165926 1127624312 /nfs/dbraw/zinc/62/43/12/1127624312.db2.gz SUSYORORDLJYSD-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN Fc1ccc(C2CC2)cc1CNCc1cccc2nccn21 ZINC000295170299 1127625269 /nfs/dbraw/zinc/62/52/69/1127625269.db2.gz UEOUWLIWHNTIBE-UHFFFAOYSA-N 0 1 295.361 3.641 20 0 CHADMN C[C@@H](N[C@H]1CCOC1(C)C)c1ncc(-c2ccccc2)o1 ZINC000295185621 1127625802 /nfs/dbraw/zinc/62/58/02/1127625802.db2.gz IREUBINTDAZYTC-DOMZBBRYSA-N 0 1 286.375 3.560 20 0 CHADMN CO[C@@H](CN(C)Cc1ccccn1)c1ccc(Cl)cc1 ZINC000295187912 1127626126 /nfs/dbraw/zinc/62/61/26/1127626126.db2.gz QRPKGWRERYLALO-INIZCTEOSA-N 0 1 290.794 3.555 20 0 CHADMN CCC1(NCc2noc(-c3ccccc3)n2)CCCC1 ZINC000295222838 1127628195 /nfs/dbraw/zinc/62/81/95/1127628195.db2.gz NKYKCLAMPRFGGP-UHFFFAOYSA-N 0 1 271.364 3.549 20 0 CHADMN CCCN(Cc1conc1C)[C@H](C)c1ccccc1OC ZINC000295225811 1127628498 /nfs/dbraw/zinc/62/84/98/1127628498.db2.gz CGEPJCSSTXJCCY-CQSZACIVSA-N 0 1 288.391 3.965 20 0 CHADMN C[C@]1(c2ccccc2)CCN(Cc2ncc(C3CC3)o2)C1 ZINC000362450349 1127636450 /nfs/dbraw/zinc/63/64/50/1127636450.db2.gz FDOZNZXIQNBOEG-SFHVURJKSA-N 0 1 282.387 3.716 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000362436445 1127635248 /nfs/dbraw/zinc/63/52/48/1127635248.db2.gz GMOAUUBBCLCQMS-ZIAGYGMSSA-N 0 1 287.382 3.632 20 0 CHADMN Cc1nocc1CN(C)CCCOc1ccc(Cl)cc1 ZINC000295411413 1127642063 /nfs/dbraw/zinc/64/20/63/1127642063.db2.gz RQEJOXWCNMMEGP-UHFFFAOYSA-N 0 1 294.782 3.537 20 0 CHADMN Cc1cc(C)c2c(c1)C[N@H+](Cc1cccc(O)c1)CC2 ZINC000362523471 1127642446 /nfs/dbraw/zinc/64/24/46/1127642446.db2.gz FBSHEJMCJHHSAS-UHFFFAOYSA-N 0 1 267.372 3.567 20 0 CHADMN Cc1cc(C)c2c(c1)CN(Cc1cccc(O)c1)CC2 ZINC000362523471 1127642447 /nfs/dbraw/zinc/64/24/47/1127642447.db2.gz FBSHEJMCJHHSAS-UHFFFAOYSA-N 0 1 267.372 3.567 20 0 CHADMN CCc1cc(Sc2nc3ccc(Cl)cc3[nH]2)ncn1 ZINC000603370623 1127644665 /nfs/dbraw/zinc/64/46/65/1127644665.db2.gz URIQZWNMDJWPAE-UHFFFAOYSA-N 0 1 290.779 3.720 20 0 CHADMN C[C@H](N[C@@H](C)C1(C)CC1)c1ncc(Br)s1 ZINC000380140479 1127646707 /nfs/dbraw/zinc/64/67/07/1127646707.db2.gz VLCBVVXOGQNXAI-YUMQZZPRSA-N 0 1 289.242 3.745 20 0 CHADMN CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000295635680 1127648945 /nfs/dbraw/zinc/64/89/45/1127648945.db2.gz CZMXYOHZJPCHGZ-BDAKNGLRSA-N 0 1 285.746 3.950 20 0 CHADMN COc1cccc(CN[C@@H]2CCc3c2cccc3F)c1F ZINC000669680844 1127650220 /nfs/dbraw/zinc/65/02/20/1127650220.db2.gz VUXCHKNRHSOFJO-OAHLLOKOSA-N 0 1 289.325 3.751 20 0 CHADMN c1c[nH]c([C@@H]2CCCN2Cc2ccccc2OC2CC2)c1 ZINC000295680654 1127650775 /nfs/dbraw/zinc/65/07/75/1127650775.db2.gz MCAZFVGDUJORKT-KRWDZBQOSA-N 0 1 282.387 3.893 20 0 CHADMN Cc1ccc([C@H](N[C@@H]2C[C@H](C)O[C@H]2C)c2ccccn2)cc1 ZINC000295738325 1127652101 /nfs/dbraw/zinc/65/21/01/1127652101.db2.gz PMZHTWWLWGELJP-SAKMYQHLSA-N 0 1 296.414 3.635 20 0 CHADMN C[C@@H](N[C@H]1CCCc2nc(Cl)ccc21)c1cccnc1 ZINC000295797257 1127652614 /nfs/dbraw/zinc/65/26/14/1127652614.db2.gz BWKOOIWFXYLGND-RISCZKNCSA-N 0 1 287.794 3.858 20 0 CHADMN Cc1cccc(CN[C@H](CCCO)c2ccccc2)c1F ZINC000295831528 1127655073 /nfs/dbraw/zinc/65/50/73/1127655073.db2.gz VKOVQCDUMZJEGG-QGZVFWFLSA-N 0 1 287.378 3.738 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000295950036 1127658069 /nfs/dbraw/zinc/65/80/69/1127658069.db2.gz LIVQPFZPSXWSHJ-BBRMVZONSA-N 0 1 269.392 3.705 20 0 CHADMN Cc1cnc(CN2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)o1 ZINC000296012332 1127660271 /nfs/dbraw/zinc/66/02/71/1127660271.db2.gz QOPXRGVSDDNLHS-HNNXBMFYSA-N 0 1 296.374 3.505 20 0 CHADMN CCn1nccc1CN[C@@H](C)c1cccc(C2CC2)c1 ZINC000296059833 1127661856 /nfs/dbraw/zinc/66/18/56/1127661856.db2.gz PHEBWXBVJRUPGB-ZDUSSCGKSA-N 0 1 269.392 3.631 20 0 CHADMN CC(=O)c1ccc(CN2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000296093019 1127663079 /nfs/dbraw/zinc/66/30/79/1127663079.db2.gz UCNZNUQKGUIMIE-CYBMUJFWSA-N 0 1 285.309 3.664 20 0 CHADMN COc1nccnc1CN[C@@H](c1ccccc1)C1CCCC1 ZINC000296352678 1127669359 /nfs/dbraw/zinc/66/93/59/1127669359.db2.gz JCNWFHOYKFATLJ-KRWDZBQOSA-N 0 1 297.402 3.506 20 0 CHADMN COc1nccnc1CN[C@H](c1ccccc1)C1CCCC1 ZINC000296352680 1127669539 /nfs/dbraw/zinc/66/95/39/1127669539.db2.gz JCNWFHOYKFATLJ-QGZVFWFLSA-N 0 1 297.402 3.506 20 0 CHADMN CCN(Cc1cccs1)Cc1ccc(C(C)=O)cc1 ZINC000296554561 1127676134 /nfs/dbraw/zinc/67/61/34/1127676134.db2.gz PBQJSCQFOOBZIZ-UHFFFAOYSA-N 0 1 273.401 3.973 20 0 CHADMN Cc1cncc([C@H](C)NCc2ccnc(C(F)(F)F)c2)c1 ZINC000296572667 1127677172 /nfs/dbraw/zinc/67/71/72/1127677172.db2.gz SZNWOPMMTBOLTF-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN CC(C)c1nc(CN[C@H]2CCC(C)(C)c3ccccc32)n[nH]1 ZINC000296611975 1127678691 /nfs/dbraw/zinc/67/86/91/1127678691.db2.gz WJSWAYGIVPCPHH-HNNXBMFYSA-N 0 1 298.434 3.830 20 0 CHADMN c1nnsc1CN1CCC[C@H]1CCCc1ccccc1 ZINC000296688413 1127681524 /nfs/dbraw/zinc/68/15/24/1127681524.db2.gz CMKSHIGZIAFGPI-OAHLLOKOSA-N 0 1 287.432 3.525 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000603921885 1127682915 /nfs/dbraw/zinc/68/29/15/1127682915.db2.gz CVHACXQYWXYNJD-QGZVFWFLSA-N 0 1 297.402 3.683 20 0 CHADMN CC1(C)CC[C@H](N[C@@H]2CCn3ccnc32)c2ccccc21 ZINC000296644191 1127680030 /nfs/dbraw/zinc/68/00/30/1127680030.db2.gz CYKOABGQEOIXTK-JKSUJKDBSA-N 0 1 281.403 3.730 20 0 CHADMN Cc1cnc(C[N@H+]2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)o1 ZINC000296875014 1127685257 /nfs/dbraw/zinc/68/52/57/1127685257.db2.gz UUBAFWCMKHQSBE-INWMFGNUSA-N 0 1 270.376 3.750 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cccc(OC)n1 ZINC000603968247 1127685953 /nfs/dbraw/zinc/68/59/53/1127685953.db2.gz PNGSZGSJPPYJMW-QGZVFWFLSA-N 0 1 282.387 3.600 20 0 CHADMN CCCN(Cc1cccc(OC)c1F)C[C@H]1CCCCO1 ZINC000669708241 1127690966 /nfs/dbraw/zinc/69/09/66/1127690966.db2.gz ZOOIDWGDVUQRMK-OAHLLOKOSA-N 0 1 295.398 3.615 20 0 CHADMN CC(C)Oc1ccccc1NCc1[nH]nc2ccccc21 ZINC000604068306 1127692998 /nfs/dbraw/zinc/69/29/98/1127692998.db2.gz AWFASVQHFNLLFC-UHFFFAOYSA-N 0 1 281.359 3.962 20 0 CHADMN Cc1cc(C)cc(NCc2ccc3nc[nH]c3c2)c1 ZINC000604064269 1127693425 /nfs/dbraw/zinc/69/34/25/1127693425.db2.gz KUQMFVVPZNCKID-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN CN(Cc1nc(C2CC2)no1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297414668 1127696413 /nfs/dbraw/zinc/69/64/13/1127696413.db2.gz DGCRBSCBLUIDLX-CVEARBPZSA-N 0 1 297.402 3.715 20 0 CHADMN CCOc1ccccc1[C@@H](CC)N[C@@H](C)c1cn[nH]c1 ZINC000297537873 1127699533 /nfs/dbraw/zinc/69/95/33/1127699533.db2.gz DWZZWCQSRCMIBD-SWLSCSKDSA-N 0 1 273.380 3.610 20 0 CHADMN CCC(=O)CCCN1CCSC[C@H]1c1ccccc1 ZINC000297557899 1127700413 /nfs/dbraw/zinc/70/04/13/1127700413.db2.gz RJMZNPOPNJQJGR-INIZCTEOSA-N 0 1 277.433 3.536 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H](c2ccccc2)C2CCCC2)c1C ZINC000604316441 1127701580 /nfs/dbraw/zinc/70/15/80/1127701580.db2.gz ABOGHZVCTMGWAE-QGZVFWFLSA-N 0 1 297.402 3.688 20 0 CHADMN CC/C=C/CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000297666365 1127704328 /nfs/dbraw/zinc/70/43/28/1127704328.db2.gz FNZJRLSJKJLZLU-ONEGZZNKSA-N 0 1 294.305 3.588 20 0 CHADMN Cc1cccnc1[C@@H](NCc1n[nH]c2ccccc12)C(C)C ZINC000604417114 1127705196 /nfs/dbraw/zinc/70/51/96/1127705196.db2.gz FMTNPBJOUDQEBC-KRWDZBQOSA-N 0 1 294.402 3.753 20 0 CHADMN CCOc1cc(CN(C)[C@H](C)c2ccco2)ccc1O ZINC000297906627 1127711654 /nfs/dbraw/zinc/71/16/54/1127711654.db2.gz RYWPZYMCXCGLTO-GFCCVEGCSA-N 0 1 275.348 3.577 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2cccc(F)c2F)n1 ZINC000298095504 1127714538 /nfs/dbraw/zinc/71/45/38/1127714538.db2.gz NHAYZHNVSKVXPZ-UHFFFAOYSA-N 0 1 283.347 3.673 20 0 CHADMN CC(C)(C)c1nc(SCc2cccc(F)c2F)n[nH]1 ZINC000298095504 1127714539 /nfs/dbraw/zinc/71/45/39/1127714539.db2.gz NHAYZHNVSKVXPZ-UHFFFAOYSA-N 0 1 283.347 3.673 20 0 CHADMN CC(C)c1noc(CN2CCC[C@H](C(C)(C)C)CC2)n1 ZINC000604759418 1127716082 /nfs/dbraw/zinc/71/60/82/1127716082.db2.gz DRPAICBEPRHRKA-ZDUSSCGKSA-N 0 1 279.428 3.841 20 0 CHADMN CC[C@@H](C(=O)Nc1ccccc1-c1cccs1)N(C)C ZINC000298250712 1127717251 /nfs/dbraw/zinc/71/72/51/1127717251.db2.gz NBFHFHJPZOTYJS-AWEZNQCLSA-N 0 1 288.416 3.694 20 0 CHADMN CCC1(C)CCN(Cc2cccnc2Cl)CC1 ZINC000061803686 1127718956 /nfs/dbraw/zinc/71/89/56/1127718956.db2.gz XNJLMCAOCIHZJG-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN Cc1nc(CN2CCC3(C2)CCCCC3)cs1 ZINC000365328373 1127726443 /nfs/dbraw/zinc/72/64/43/1127726443.db2.gz ULEHHHVYRXGVMV-UHFFFAOYSA-N 0 1 250.411 3.608 20 0 CHADMN CCC(C)(C)N(C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000298632539 1127727833 /nfs/dbraw/zinc/72/78/33/1127727833.db2.gz OWRIZZNGNDSGBI-UHFFFAOYSA-N 0 1 293.798 3.609 20 0 CHADMN CC1(C)CN(CCSc2ccccc2)C(C)(C)CO1 ZINC000605151011 1127730293 /nfs/dbraw/zinc/73/02/93/1127730293.db2.gz WBCUWQXLEWWPOD-UHFFFAOYSA-N 0 1 279.449 3.668 20 0 CHADMN Cc1ccc([C@@H]2CCCCCN2Cc2ccno2)o1 ZINC000365482927 1127730274 /nfs/dbraw/zinc/73/02/74/1127730274.db2.gz TVMCCPXHHQJKCE-AWEZNQCLSA-N 0 1 260.337 3.693 20 0 CHADMN Cc1ncc(CN(C)[C@@H](C)c2ccc(F)cc2)s1 ZINC000298746962 1127731296 /nfs/dbraw/zinc/73/12/96/1127731296.db2.gz DNUPSGYOUHJXCX-JTQLQIEISA-N 0 1 264.369 3.784 20 0 CHADMN Cc1ccc(C)c([C@H]2CCC[N@H+]2Cc2ccnc(C)n2)c1 ZINC000366466656 1127746337 /nfs/dbraw/zinc/74/63/37/1127746337.db2.gz QVCOSYALGQWQGO-GOSISDBHSA-N 0 1 281.403 3.739 20 0 CHADMN Cc1nccc(CN2C[C@@H]3CCCC[C@]32c2ccccc2)n1 ZINC000366490085 1127747075 /nfs/dbraw/zinc/74/70/75/1127747075.db2.gz QJHJDEJQVRCTAO-HKUYNNGSSA-N 0 1 293.414 3.686 20 0 CHADMN CCCCc1noc(CN2CCCC[C@@H]2[C@H](C)CC)n1 ZINC000606434068 1127761677 /nfs/dbraw/zinc/76/16/77/1127761677.db2.gz JGXRUDVETWTFAL-ZIAGYGMSSA-N 0 1 279.428 3.813 20 0 CHADMN CCO[C@H](C)c1noc(CN2CCCC[C@H]2[C@@H](C)CC)n1 ZINC000606434336 1127762288 /nfs/dbraw/zinc/76/22/88/1127762288.db2.gz VBKKDIUSKORFRG-MJBXVCDLSA-N 0 1 295.427 3.568 20 0 CHADMN CCc1ccc(CN2CCN([C@H]3C=CCCC3)CC2)s1 ZINC000606446645 1127762689 /nfs/dbraw/zinc/76/26/89/1127762689.db2.gz WLPJDXYGZVTRPD-HNNXBMFYSA-N 0 1 290.476 3.537 20 0 CHADMN C[C@H]1c2c(F)cccc2CCN1Cc1ccccc1 ZINC000606450156 1127763933 /nfs/dbraw/zinc/76/39/33/1127763933.db2.gz PYMGGQASNGXEME-ZDUSSCGKSA-N 0 1 255.336 3.945 20 0 CHADMN C=C(Br)CN(CC1CCCCC1)C1CC1 ZINC000062640521 1127766536 /nfs/dbraw/zinc/76/65/36/1127766536.db2.gz ZYUICIQYRZRCDL-UHFFFAOYSA-N 0 1 272.230 3.940 20 0 CHADMN CC(=O)CCN1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000372082132 1127787172 /nfs/dbraw/zinc/78/71/72/1127787172.db2.gz WMIPGKYSUUNRRF-AWEZNQCLSA-N 0 1 285.309 3.821 20 0 CHADMN COC[C@H]1CCCCN(Cc2nc(C(C)(C)C)cs2)C1 ZINC000372093301 1127787960 /nfs/dbraw/zinc/78/79/60/1127787960.db2.gz CYMJJLBQMDZZPG-ZDUSSCGKSA-N 0 1 296.480 3.689 20 0 CHADMN Cc1ccc(-c2nc(CN3C[C@@H](C)C[C@@H]3C)cs2)o1 ZINC000607154384 1127791675 /nfs/dbraw/zinc/79/16/75/1127791675.db2.gz UCDIVXAFYGIGPB-QWRGUYRKSA-N 0 1 276.405 3.942 20 0 CHADMN c1cc2c(cccc2CNCc2nc3c(s2)CCCC3)[nH]1 ZINC000607287928 1127798912 /nfs/dbraw/zinc/79/89/12/1127798912.db2.gz JNZLCOWWVXKHRK-UHFFFAOYSA-N 0 1 297.427 3.793 20 0 CHADMN CCCCN(CCCC)Cc1ncnn1-c1ccccc1 ZINC000410297314 1127803277 /nfs/dbraw/zinc/80/32/77/1127803277.db2.gz AERFEDABHJPQMF-UHFFFAOYSA-N 0 1 286.423 3.670 20 0 CHADMN C[C@]1(c2ccccc2)CC[C@H](N2CCC[C@H]2c2ncon2)C1 ZINC000372678010 1127808956 /nfs/dbraw/zinc/80/89/56/1127808956.db2.gz XJESBJIMUXMCSY-BQFCYCMXSA-N 0 1 297.402 3.717 20 0 CHADMN CCSCC[C@H](C)NCc1occc1Br ZINC000231396351 1127819302 /nfs/dbraw/zinc/81/93/02/1127819302.db2.gz ZBZRKEGFHWTPDG-VIFPVBQESA-N 0 1 292.242 3.663 20 0 CHADMN C[C@@H](CSc1ccccc1)N(C)Cc1ccnc(F)c1 ZINC001118885693 1131241058 /nfs/dbraw/zinc/24/10/58/1131241058.db2.gz OXQRRCTWBQJEHO-ZDUSSCGKSA-N 0 1 290.407 3.833 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)[C@H]2COc3ccccc32)cs1 ZINC000373140506 1127825023 /nfs/dbraw/zinc/82/50/23/1127825023.db2.gz RRXPTNYPIBWZMZ-UHIISALHSA-N 0 1 288.416 3.667 20 0 CHADMN CC(C)(C)c1cnc(CN2CCCC(C)(C)CC2)o1 ZINC000607748771 1127823906 /nfs/dbraw/zinc/82/39/06/1127823906.db2.gz LXZOGWWLLCHAFP-UHFFFAOYSA-N 0 1 264.413 3.984 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)[C@H]1CCOC1)c1nccs1 ZINC000373163277 1127826667 /nfs/dbraw/zinc/82/66/67/1127826667.db2.gz HWMPSGNWVXIVPF-QEJZJMRPSA-N 0 1 288.416 3.572 20 0 CHADMN C[C@@H]1CCCN(Cc2cc3c(c(Cl)c2)OCO3)[C@H]1C ZINC000607754515 1127827341 /nfs/dbraw/zinc/82/73/41/1127827341.db2.gz VIHNJXOABCZVPO-MNOVXSKESA-N 0 1 281.783 3.689 20 0 CHADMN Clc1ccc(CN2CCCC3(CCC3)C2)nc1 ZINC000373404699 1127841142 /nfs/dbraw/zinc/84/11/42/1127841142.db2.gz LZEKMNJVSUPMGF-UHFFFAOYSA-N 0 1 250.773 3.501 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@@H]2C[C@H]2c2cccc(F)c2)o1 ZINC000411148492 1127843254 /nfs/dbraw/zinc/84/32/54/1127843254.db2.gz MFGMQLIYBWEBPN-JKSUJKDBSA-N 0 1 259.324 3.715 20 0 CHADMN CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000608145001 1127852042 /nfs/dbraw/zinc/85/20/42/1127852042.db2.gz GKFQNMUJGNRNTN-KGLIPLIRSA-N 0 1 294.439 3.676 20 0 CHADMN Cc1nccc(CN2C[C@@H](C)C[C@H]2c2cccc(F)c2)n1 ZINC000373519020 1127848614 /nfs/dbraw/zinc/84/86/14/1127848614.db2.gz ILHWZEVGEXOVMU-SJCJKPOMSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1[nH]ncc1CN(C)C(=O)C1CC(C)(C)CC(C)(C)C1 ZINC000636070944 1127856637 /nfs/dbraw/zinc/85/66/37/1127856637.db2.gz JNPSIPBHOYXJTI-UHFFFAOYSA-N 0 1 291.439 3.529 20 0 CHADMN CC(C)c1ncc(CN(C)[C@H]2C[C@H]2c2cccc(F)c2)cn1 ZINC000411671619 1127869453 /nfs/dbraw/zinc/86/94/53/1127869453.db2.gz HVZLCJMEQVYXOE-IRXDYDNUSA-N 0 1 299.393 3.727 20 0 CHADMN O=C(CN1C2CCCC1CCC2)Nc1cccc(Cl)c1 ZINC000608499973 1127871285 /nfs/dbraw/zinc/87/12/85/1127871285.db2.gz RDEUKPMSXYWIDS-UHFFFAOYSA-N 0 1 292.810 3.686 20 0 CHADMN Cc1cc(C[N@H+]2CCOC3(CCCCC3)C2)c(C)s1 ZINC000608498700 1127871493 /nfs/dbraw/zinc/87/14/93/1127871493.db2.gz QQYCWMJJNAMCRR-UHFFFAOYSA-N 0 1 279.449 3.900 20 0 CHADMN Cc1cc(CN2CCOC3(CCCCC3)C2)c(C)s1 ZINC000608498700 1127871498 /nfs/dbraw/zinc/87/14/98/1127871498.db2.gz QQYCWMJJNAMCRR-UHFFFAOYSA-N 0 1 279.449 3.900 20 0 CHADMN c1nn(-c2ccccc2)cc1CN1C2CCCC1CCC2 ZINC000608499908 1127871654 /nfs/dbraw/zinc/87/16/54/1127871654.db2.gz JTQRVBSXHNEQLU-UHFFFAOYSA-N 0 1 281.403 3.779 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1ccn(-c2cccc(F)c2)n1 ZINC000608511085 1127874732 /nfs/dbraw/zinc/87/47/32/1127874732.db2.gz DWYBSXLPBTUFLS-UONOGXRCSA-N 0 1 287.382 3.632 20 0 CHADMN CC(C)O[C@H](CN[C@@H](C)c1nccs1)c1ccccc1 ZINC000411883009 1127877825 /nfs/dbraw/zinc/87/78/25/1127877825.db2.gz MWVXKZUCCVMOME-DZGCQCFKSA-N 0 1 290.432 3.960 20 0 CHADMN CO[C@@](C)([C@@H](C)NCc1csc(C(C)(C)C)n1)C1CC1 ZINC000411943284 1127881369 /nfs/dbraw/zinc/88/13/69/1127881369.db2.gz IRTQXOTWWSITPD-BZNIZROVSA-N 0 1 296.480 3.734 20 0 CHADMN CC[N@@H+](CC(=O)Nc1c(C)cccc1C)C1CC(C)(C)C1 ZINC000412037236 1127890311 /nfs/dbraw/zinc/89/03/11/1127890311.db2.gz NGOHZDOCZXCZNL-UHFFFAOYSA-N 0 1 288.435 3.752 20 0 CHADMN CCN(CC(=O)Nc1c(C)cccc1C)C1CC(C)(C)C1 ZINC000412037236 1127890314 /nfs/dbraw/zinc/89/03/14/1127890314.db2.gz NGOHZDOCZXCZNL-UHFFFAOYSA-N 0 1 288.435 3.752 20 0 CHADMN C[C@H](CN[C@@H](C)c1csnn1)c1cccc(Cl)c1 ZINC000412048352 1127893355 /nfs/dbraw/zinc/89/33/55/1127893355.db2.gz XIRUGXRGGKZTCX-ZJUUUORDSA-N 0 1 281.812 3.646 20 0 CHADMN Cn1cc2c(n1)CCC[C@H]2N[C@H]1CC(C)(C)Cc2occc21 ZINC000374581615 1127905242 /nfs/dbraw/zinc/90/52/42/1127905242.db2.gz AZESZCIVVYQENP-ZBFHGGJFSA-N 0 1 299.418 3.694 20 0 CHADMN COc1cccc([C@@H]2C[C@@H](C)CN2Cc2cc(C)no2)c1 ZINC000374591625 1127906117 /nfs/dbraw/zinc/90/61/17/1127906117.db2.gz FAYDGNLNMVAENT-PXAZEXFGSA-N 0 1 286.375 3.575 20 0 CHADMN COc1cccc([C@@H]2C[C@H](C)CN2Cc2cc(C)no2)c1 ZINC000374591626 1127906192 /nfs/dbraw/zinc/90/61/92/1127906192.db2.gz FAYDGNLNMVAENT-SJCJKPOMSA-N 0 1 286.375 3.575 20 0 CHADMN COc1cc2c(cc1-c1nc3ccc(C)cc3[nH]1)O[C@H](C)C2 ZINC000535358986 1127913147 /nfs/dbraw/zinc/91/31/47/1127913147.db2.gz ZYMBSHULHQTZNY-LLVKDONJSA-N 0 1 294.354 3.870 20 0 CHADMN Cc1nc(CN2CC[C@@](C)(CCc3ccccc3)C2)co1 ZINC000659998894 1127913556 /nfs/dbraw/zinc/91/35/56/1127913556.db2.gz ZFVXKXIQOMXXJS-GOSISDBHSA-N 0 1 284.403 3.828 20 0 CHADMN Clc1ccc(CCCN2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000375002839 1127923921 /nfs/dbraw/zinc/92/39/21/1127923921.db2.gz HRIAPQSVDBTPGW-OAHLLOKOSA-N 0 1 289.810 3.833 20 0 CHADMN CC(C)(CNc1cc[nH+]c2c([O-])cccc12)C(F)(F)F ZINC000669826580 1127924983 /nfs/dbraw/zinc/92/49/83/1127924983.db2.gz UEUSFXKMGFHABI-UHFFFAOYSA-N 0 1 284.281 3.941 20 0 CHADMN COCc1cccc2sc(NCc3cccs3)nc21 ZINC000539607191 1127932167 /nfs/dbraw/zinc/93/21/67/1127932167.db2.gz BEFJONCSECKVCZ-UHFFFAOYSA-N 0 1 290.413 3.538 20 0 CHADMN Cc1ccc2nc(S[C@H]3CCC(C)(C)C3=O)[nH]c2c1 ZINC000412982407 1127935026 /nfs/dbraw/zinc/93/50/26/1127935026.db2.gz YLWFBIAWHMGZTQ-LBPRGKRZSA-N 0 1 274.389 3.721 20 0 CHADMN CCCC[C@@H](CC)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000539780565 1127939837 /nfs/dbraw/zinc/93/98/37/1127939837.db2.gz CIZOLZGJSSQWFZ-CQSZACIVSA-N 0 1 291.439 3.641 20 0 CHADMN FC(F)(F)c1ccccc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375294339 1127940206 /nfs/dbraw/zinc/94/02/06/1127940206.db2.gz XKFFOCIGLBLVNA-OAHLLOKOSA-N 0 1 299.336 3.708 20 0 CHADMN CCc1cc(CN[C@H]2c3cc(C)ccc3C[C@@H]2C)on1 ZINC000539812311 1127941363 /nfs/dbraw/zinc/94/13/63/1127941363.db2.gz RMGWNAXRXSRFMS-YVEFUNNKSA-N 0 1 270.376 3.569 20 0 CHADMN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)c1ncc(-c2ccccc2)o1 ZINC000375436634 1127944272 /nfs/dbraw/zinc/94/42/72/1127944272.db2.gz LDKQPOHFWPVEBN-YLQAJVPDSA-N 0 1 298.386 3.560 20 0 CHADMN Fc1cc(F)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1F ZINC000539829758 1127944976 /nfs/dbraw/zinc/94/49/76/1127944976.db2.gz VQSXBWSYKNFDDC-PHIMTYICSA-N 0 1 269.310 3.726 20 0 CHADMN Fc1cc(F)c(CN2C[C@@H]3CCCC[C@@H]3C2)cc1F ZINC000539829758 1127944977 /nfs/dbraw/zinc/94/49/77/1127944977.db2.gz VQSXBWSYKNFDDC-PHIMTYICSA-N 0 1 269.310 3.726 20 0 CHADMN CCCOc1c(CN2CCC2(C)C)cccc1OCC ZINC000539835963 1127946581 /nfs/dbraw/zinc/94/65/81/1127946581.db2.gz ZFPDQUCFVHHYJP-UHFFFAOYSA-N 0 1 277.408 3.858 20 0 CHADMN c1ccc([C@@H]2C[C@@H]2CN2CCOC[C@H]2c2ccccc2)cc1 ZINC000539851974 1127948890 /nfs/dbraw/zinc/94/88/90/1127948890.db2.gz YNZWWLURWDTHSQ-AABGKKOBSA-N 0 1 293.410 3.864 20 0 CHADMN Fc1cc(F)c(F)c(CN[C@H]2CC[C@H]2C2CCC2)c1F ZINC000669848221 1127949898 /nfs/dbraw/zinc/94/98/98/1127949898.db2.gz IDAKGUNJLSZVPL-ZANVPECISA-N 0 1 287.300 3.911 20 0 CHADMN COCC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000505586096 1127957351 /nfs/dbraw/zinc/95/73/51/1127957351.db2.gz QYXNMBYYOWKAPI-UHFFFAOYSA-N 0 1 291.341 3.613 20 0 CHADMN COCCN(Cc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000505586096 1127957355 /nfs/dbraw/zinc/95/73/55/1127957355.db2.gz QYXNMBYYOWKAPI-UHFFFAOYSA-N 0 1 291.341 3.613 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1cc2c(s1)CCC2 ZINC000540164055 1127966724 /nfs/dbraw/zinc/96/67/24/1127966724.db2.gz SHRDEHYSVWXLTC-ZWNOBZJWSA-N 0 1 287.432 3.688 20 0 CHADMN COc1ccccc1[C@H](CO)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000540183031 1127967109 /nfs/dbraw/zinc/96/71/09/1127967109.db2.gz OPUZXZQAVXCTMO-YJBOKZPZSA-N 0 1 299.414 3.696 20 0 CHADMN Cc1ccccc1-c1nc(CN2CC[C@@H](C(C)(C)C)C2)no1 ZINC000544190396 1127962449 /nfs/dbraw/zinc/96/24/49/1127962449.db2.gz NNFGWCBWJKSODO-CQSZACIVSA-N 0 1 299.418 3.913 20 0 CHADMN Fc1ccc([C@H](NCCC2CC2)c2cccnc2)c(F)c1 ZINC000346617364 1127962580 /nfs/dbraw/zinc/96/25/80/1127962580.db2.gz CSQKCUXGCQWWAE-QGZVFWFLSA-N 0 1 288.341 3.839 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CC[C@@H](C)[C@H](OC)C1 ZINC000467284216 1127963127 /nfs/dbraw/zinc/96/31/27/1127963127.db2.gz PARCIQALEBPUNH-HFBAOOFYSA-N 0 1 283.362 3.773 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](CO)c2cccc(F)c2)cc1 ZINC000540189744 1127967686 /nfs/dbraw/zinc/96/76/86/1127967686.db2.gz QZMPXWCIYWYXDF-GUYCJALGSA-N 0 1 273.351 3.518 20 0 CHADMN COc1ccsc1CN(C)CCOc1ccc(C)cc1 ZINC000506124502 1127972053 /nfs/dbraw/zinc/97/20/53/1127972053.db2.gz HJYGXAQVEDWWGH-UHFFFAOYSA-N 0 1 291.416 3.576 20 0 CHADMN C[C@@H](NCCc1ccc2ccccc2c1)c1ccon1 ZINC000544547253 1127976703 /nfs/dbraw/zinc/97/67/03/1127976703.db2.gz WJMXSGOSHSPMJQ-CYBMUJFWSA-N 0 1 266.344 3.721 20 0 CHADMN CC[C@H](N[C@H](C)c1cc(C)sc1C)c1ccn(C)n1 ZINC000544580357 1127977189 /nfs/dbraw/zinc/97/71/89/1127977189.db2.gz ROSBANJSHPXXFR-RISCZKNCSA-N 0 1 277.437 3.900 20 0 CHADMN c1ccc(-c2n[nH]c(SCC[C@H]3CCCCO3)n2)cc1 ZINC000544623291 1127979416 /nfs/dbraw/zinc/97/94/16/1127979416.db2.gz UMXZPONMZMEXDJ-CYBMUJFWSA-N 0 1 289.404 3.523 20 0 CHADMN CCS[C@@H]1CCC[C@@H]1NCc1coc(C(C)(C)C)n1 ZINC000930437770 1127981809 /nfs/dbraw/zinc/98/18/09/1127981809.db2.gz BFLTYTAAAZJBNS-QWHCGFSZSA-N 0 1 282.453 3.736 20 0 CHADMN CCN(CCC1CC1)CC(=O)Nc1cc(Cl)ccc1F ZINC000544899689 1127989100 /nfs/dbraw/zinc/98/91/00/1127989100.db2.gz XHOFGMFIZUNIMT-UHFFFAOYSA-N 0 1 298.789 3.540 20 0 CHADMN CC[C@]1(C)CCN([C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000468122211 1127993040 /nfs/dbraw/zinc/99/30/40/1127993040.db2.gz WZEYZNNQTPJXMM-RDTXWAMCSA-N 0 1 299.418 3.843 20 0 CHADMN CCc1ncc(CN(CCc2cccc(F)c2)C2CC2)o1 ZINC000929643803 1128001747 /nfs/dbraw/zinc/00/17/47/1128001747.db2.gz JXEAXQVOCXLLJN-UHFFFAOYSA-N 0 1 288.366 3.583 20 0 CHADMN C[C@H](O)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000540962201 1128002410 /nfs/dbraw/zinc/00/24/10/1128002410.db2.gz YHBIXVIXUFDTHP-CMPLNLGQSA-N 0 1 288.218 3.586 20 0 CHADMN c1cc(N2CCCCC2)oc1CN1CC2(C1)CCCC2 ZINC001138172060 1128004376 /nfs/dbraw/zinc/00/43/76/1128004376.db2.gz KEVOGJGXXBZXBE-UHFFFAOYSA-N 0 1 274.408 3.646 20 0 CHADMN Cc1ccc(OC[C@@H](C)NCc2ccncc2Cl)cc1 ZINC000088781238 1128010123 /nfs/dbraw/zinc/01/01/23/1128010123.db2.gz QHSYHOLNDSKTBH-CYBMUJFWSA-N 0 1 290.794 3.601 20 0 CHADMN C[C@H]1CCN(Cc2nc(-c3ccccc3)no2)CC1(C)C ZINC000545419096 1128014274 /nfs/dbraw/zinc/01/42/74/1128014274.db2.gz BAZVROLJWCCNCH-ZDUSSCGKSA-N 0 1 285.391 3.605 20 0 CHADMN CCCCc1noc([C@@H](C)N2C[C@@H](C)CC(C)(C)C2)n1 ZINC000541317864 1128017348 /nfs/dbraw/zinc/01/73/48/1128017348.db2.gz DRFBMRFSXROBLU-QWHCGFSZSA-N 0 1 279.428 3.841 20 0 CHADMN CCN(CCC1CC1)Cc1nc(-c2ccc(C)cc2)no1 ZINC000545518894 1128018357 /nfs/dbraw/zinc/01/83/57/1128018357.db2.gz FCPSRTIYKMUWTC-UHFFFAOYSA-N 0 1 285.391 3.667 20 0 CHADMN CC[C@@H](NCCOC1CCCCCC1)c1nccs1 ZINC000541595300 1128029306 /nfs/dbraw/zinc/02/93/06/1128029306.db2.gz SOLOUGLSKLUMMA-CQSZACIVSA-N 0 1 282.453 3.923 20 0 CHADMN Cc1cc(-c2noc(C3(C)CCCC3)n2)cc2nc[nH]c21 ZINC000545735828 1128031872 /nfs/dbraw/zinc/03/18/72/1128031872.db2.gz XAEQMJCTDBJVPD-UHFFFAOYSA-N 0 1 282.347 3.753 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SC/C=C/Cl)n2)o1 ZINC000913611185 1128032059 /nfs/dbraw/zinc/03/20/59/1128032059.db2.gz IUIHRPMMROBYBO-XSWNDEFRSA-N 0 1 281.768 3.721 20 0 CHADMN CCC(C)(C)CCN[C@H](C)c1nc(C(C)(C)C)no1 ZINC000541691054 1128033504 /nfs/dbraw/zinc/03/35/04/1128033504.db2.gz LTCHUHVHSPNMLR-LLVKDONJSA-N 0 1 267.417 3.844 20 0 CHADMN CO[C@H](C)CN(Cc1ccccc1)Cc1ccccc1F ZINC000542001659 1128047295 /nfs/dbraw/zinc/04/72/95/1128047295.db2.gz OFTHYZPVLGJFSA-OAHLLOKOSA-N 0 1 287.378 3.863 20 0 CHADMN CCCCO[C@@H]1C[C@H](N(C)Cc2ccc(F)cn2)C1(C)C ZINC000469716324 1128050880 /nfs/dbraw/zinc/05/08/80/1128050880.db2.gz HOLJCAYJGVJGOA-JKSUJKDBSA-N 0 1 294.414 3.636 20 0 CHADMN CC(C)Oc1ccccc1C[N@@H+](C)CCc1ccccc1O ZINC000542321563 1128064110 /nfs/dbraw/zinc/06/41/10/1128064110.db2.gz LEYZOADYBJPAFV-UHFFFAOYSA-N 0 1 299.414 3.854 20 0 CHADMN Cc1cccc([C@H]2CC[N@H+](Cc3nc(CC(C)C)no3)C2)c1 ZINC000542322134 1128064226 /nfs/dbraw/zinc/06/42/26/1128064226.db2.gz GGRXRKMQWPCJDB-INIZCTEOSA-N 0 1 299.418 3.566 20 0 CHADMN Cc1cccc([C@H]2CCN(Cc3nc(CC(C)C)no3)C2)c1 ZINC000542322134 1128064231 /nfs/dbraw/zinc/06/42/31/1128064231.db2.gz GGRXRKMQWPCJDB-INIZCTEOSA-N 0 1 299.418 3.566 20 0 CHADMN CC(C)CCO[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001205085265 1128068084 /nfs/dbraw/zinc/06/80/84/1128068084.db2.gz KFGCPXCTXSBLOD-MRXNPFEDSA-N 0 1 281.827 3.977 20 0 CHADMN CCc1ccc(NC(=O)CN[C@H](C)c2ccsc2)cc1 ZINC000669939403 1128077397 /nfs/dbraw/zinc/07/73/97/1128077397.db2.gz WBYMSBBTTMVQTC-GFCCVEGCSA-N 0 1 288.416 3.600 20 0 CHADMN COc1cccc(CN2CCSC[C@@H]2c2ccccc2)c1 ZINC000303622687 1128075244 /nfs/dbraw/zinc/07/52/44/1128075244.db2.gz DHWXVGGVPLKJLI-GOSISDBHSA-N 0 1 299.439 3.985 20 0 CHADMN Fc1ccccc1-c1n[nH]c(SCC2CCC2)n1 ZINC000172898672 1128078597 /nfs/dbraw/zinc/07/85/97/1128078597.db2.gz RSWGYBRZLLHOBK-UHFFFAOYSA-N 0 1 263.341 3.503 20 0 CHADMN CCOc1ccccc1CN1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470945735 1128083354 /nfs/dbraw/zinc/08/33/54/1128083354.db2.gz JZPZSVXTDPNWIU-DGCLKSJQSA-N 0 1 287.325 3.858 20 0 CHADMN C[C@@H](c1cc(Cl)ccc1Cl)N1CCC[C@H](CO)C1 ZINC000305210681 1128095058 /nfs/dbraw/zinc/09/50/58/1128095058.db2.gz OWOOOMGWWWEGBD-QWRGUYRKSA-N 0 1 288.218 3.759 20 0 CHADMN Clc1ccc([C@@H](NC2CC2)c2ccccn2)cc1 ZINC000924529070 1128102013 /nfs/dbraw/zinc/10/20/13/1128102013.db2.gz MAXFNHOBBHOJQV-OAHLLOKOSA-N 0 1 258.752 3.576 20 0 CHADMN CCn1ccc(CN(C)Cc2cc3ccccc3[nH]2)c1 ZINC000682778720 1128097613 /nfs/dbraw/zinc/09/76/13/1128097613.db2.gz PJQCHYWWDLTXBB-UHFFFAOYSA-N 0 1 267.376 3.621 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)c1cnnn1C ZINC000924541340 1128103130 /nfs/dbraw/zinc/10/31/30/1128103130.db2.gz MFPIBDJFBJOONC-IUCAKERBSA-N 0 1 299.205 3.534 20 0 CHADMN Clc1ccnc2c1CCC[C@@H]2NCc1ccccc1 ZINC000924543926 1128103878 /nfs/dbraw/zinc/10/38/78/1128103878.db2.gz VTBBXAYZFBXADK-HNNXBMFYSA-N 0 1 272.779 3.902 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccs1)c1cccc2c1OCO2 ZINC000924548190 1128103907 /nfs/dbraw/zinc/10/39/07/1128103907.db2.gz FAVPTFNUAGFYDY-MNOVXSKESA-N 0 1 275.373 3.889 20 0 CHADMN C[C@H](NCc1cccs1)c1ccnn1C1CCC1 ZINC000924556436 1128104258 /nfs/dbraw/zinc/10/42/58/1128104258.db2.gz FAHRVOGCDPTIER-NSHDSACASA-N 0 1 261.394 3.520 20 0 CHADMN C[C@@H](NCc1cccs1)c1cccc(Br)n1 ZINC000924557654 1128104790 /nfs/dbraw/zinc/10/47/90/1128104790.db2.gz QLVGZCQWFHLQSR-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN CC[C@H](N[C@@H]1CCOc2ccccc21)c1cccc(OC)n1 ZINC000924562392 1128105206 /nfs/dbraw/zinc/10/52/06/1128105206.db2.gz CRBZFAQYTCRCRG-LSDHHAIUSA-N 0 1 298.386 3.655 20 0 CHADMN Clc1ccnc2c1CC[C@H]2N[C@H]1CCc2ccccc21 ZINC000924590678 1128106205 /nfs/dbraw/zinc/10/62/05/1128106205.db2.gz RYRZNZLXIISCAY-JKSUJKDBSA-N 0 1 284.790 3.999 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccnn2C2CCC2)cc1F ZINC000924592570 1128106661 /nfs/dbraw/zinc/10/66/61/1128106661.db2.gz VKSXRXPTOJBSHN-ZDUSSCGKSA-N 0 1 287.382 3.906 20 0 CHADMN CC[C@H](NCc1cccc(C)c1)c1cccc(OC)n1 ZINC000924594228 1128106751 /nfs/dbraw/zinc/10/67/51/1128106751.db2.gz AUDYBNWROHXZKE-HNNXBMFYSA-N 0 1 270.376 3.640 20 0 CHADMN C[C@H](NCC1(c2ccccc2)CCCC1)c1ncco1 ZINC000924614145 1128108303 /nfs/dbraw/zinc/10/83/03/1128108303.db2.gz GMNJDRJLYWWJID-AWEZNQCLSA-N 0 1 270.376 3.837 20 0 CHADMN C[C@H](N[C@H]1CCCc2occc21)c1cccc2c1OCO2 ZINC000924642106 1128108728 /nfs/dbraw/zinc/10/87/28/1128108728.db2.gz AKTCTGLREABZTE-FZMZJTMJSA-N 0 1 285.343 3.737 20 0 CHADMN CC(C)OCc1ccccc1CN[C@H](C)c1ccns1 ZINC000924794085 1128113109 /nfs/dbraw/zinc/11/31/09/1128113109.db2.gz BXAGVOTZFNXVOM-CYBMUJFWSA-N 0 1 290.432 3.919 20 0 CHADMN CCC[C@H](NC[C@@H](O)CC(C)C)c1ncccc1Cl ZINC000924871446 1128115393 /nfs/dbraw/zinc/11/53/93/1128115393.db2.gz NFRSLTJYZGEVDZ-JSGCOSHPSA-N 0 1 284.831 3.573 20 0 CHADMN Cc1ccccc1C(C)(C)CN[C@@H](C)c1ncco1 ZINC000924896024 1128115878 /nfs/dbraw/zinc/11/58/78/1128115878.db2.gz NPRXZUJUHXXPGU-ZDUSSCGKSA-N 0 1 258.365 3.611 20 0 CHADMN C[C@H](NCC1(c2ccc(F)cc2)CCC1)c1ncco1 ZINC000924885324 1128115971 /nfs/dbraw/zinc/11/59/71/1128115971.db2.gz NIVPTWCUPDFINK-LBPRGKRZSA-N 0 1 274.339 3.586 20 0 CHADMN C[C@@H]1C[C@H]1N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000924952308 1128117520 /nfs/dbraw/zinc/11/75/20/1128117520.db2.gz WYDPKYOKFZLOLR-HFBAOOFYSA-N 0 1 272.779 3.822 20 0 CHADMN CC[C@H](N[C@@H]1CCc2c1cccc2O)c1cccc(OC)n1 ZINC000924967632 1128117929 /nfs/dbraw/zinc/11/79/29/1128117929.db2.gz NFGFOCXZMLXSQG-LSDHHAIUSA-N 0 1 298.386 3.524 20 0 CHADMN CCc1nc(CNC2CC3(C2)CCCC3)cs1 ZINC000924999792 1128118469 /nfs/dbraw/zinc/11/84/69/1128118469.db2.gz QIBWZMMGEJOFOE-UHFFFAOYSA-N 0 1 250.411 3.518 20 0 CHADMN Cc1cccc2c1[C@@H](NCc1cn3c(cccc3C)n1)CC2 ZINC000925017788 1128119310 /nfs/dbraw/zinc/11/93/10/1128119310.db2.gz AJEQOXZDBJMCAI-KRWDZBQOSA-N 0 1 291.398 3.728 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cccc2c1OCO2)c1ccncc1 ZINC000925129487 1128122792 /nfs/dbraw/zinc/12/27/92/1128122792.db2.gz IXOYKCZKXCAILE-SWLSCSKDSA-N 0 1 284.359 3.612 20 0 CHADMN Cc1oc2ccccc2c1[C@H](C)N[C@H](C)c1cnn(C)c1 ZINC000925133732 1128122836 /nfs/dbraw/zinc/12/28/36/1128122836.db2.gz YJFZZWAQLNRWMR-NEPJUHHUSA-N 0 1 283.375 3.887 20 0 CHADMN CC=C(C=CC(=O)Nc1cc2cn[nH]c2cc1C)CC ZINC000493192157 1128127897 /nfs/dbraw/zinc/12/78/97/1128127897.db2.gz CYLPRBKELDKPCA-WLWVQNKQSA-N 0 1 269.348 3.722 20 0 CHADMN CCC1(CC)[C@H](N[C@@H]2CCCc3oc(C)nc32)C[C@@H]1OC ZINC000925545569 1128131950 /nfs/dbraw/zinc/13/19/50/1128131950.db2.gz GVDJZJBGYGMNKN-YUELXQCFSA-N 0 1 292.423 3.544 20 0 CHADMN CC(=O)[C@H](N[C@H](C)Cc1cccc(F)c1)c1ccccc1 ZINC001168456322 1128133848 /nfs/dbraw/zinc/13/38/48/1128133848.db2.gz PHHYVRRINFNURB-ACJLOTCBSA-N 0 1 285.362 3.677 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](N[C@@H](C)c1cnnn1C)CCC2 ZINC000925659710 1128136278 /nfs/dbraw/zinc/13/62/78/1128136278.db2.gz ZRXIPCGNXUNVNB-GUYCJALGSA-N 0 1 298.434 3.667 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)N1CCc2cc[nH]c(=O)c2C1 ZINC000493999149 1128153414 /nfs/dbraw/zinc/15/34/14/1128153414.db2.gz HNHOSKMVHHBIPX-NSHDSACASA-N 0 1 288.778 3.560 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H](C)c1cc2ccccc2[nH]1 ZINC000926835217 1128197064 /nfs/dbraw/zinc/19/70/64/1128197064.db2.gz BRZXLOOGWWGZII-AAEUAGOBSA-N 0 1 280.375 3.678 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1ccc(F)cn1 ZINC000494240800 1128166931 /nfs/dbraw/zinc/16/69/31/1128166931.db2.gz HFGDOQGELAKZSI-GXDHUFHOSA-N 0 1 270.351 3.756 20 0 CHADMN Cc1nonc1[C@H](C)N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000926339550 1128167809 /nfs/dbraw/zinc/16/78/09/1128167809.db2.gz HELQSGAAGNPBST-XEGUGMAKSA-N 0 1 289.354 3.504 20 0 CHADMN COc1ccc(CN(C)Cc2ccccc2CF)cc1O ZINC000929820345 1128168333 /nfs/dbraw/zinc/16/83/33/1128168333.db2.gz ISBVDQLOWIDXME-UHFFFAOYSA-N 0 1 289.350 3.502 20 0 CHADMN Cc1cc(CN[C@@H](C)c2c(C)oc3ccccc32)n(C)n1 ZINC000926377338 1128170090 /nfs/dbraw/zinc/17/00/90/1128170090.db2.gz OYOYEZFLIQJEGL-LBPRGKRZSA-N 0 1 283.375 3.634 20 0 CHADMN CN(Cc1cc(Cl)cn1C)Cc1ccc(CF)cc1 ZINC000777599209 1128172223 /nfs/dbraw/zinc/17/22/23/1128172223.db2.gz FWMOXVZWIITKSC-UHFFFAOYSA-N 0 1 280.774 3.780 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2Nc1cc2c(cn1)CCCC2 ZINC000926468209 1128173395 /nfs/dbraw/zinc/17/33/95/1128173395.db2.gz YMDFSFCCADHLMV-CQSZACIVSA-N 0 1 283.375 3.746 20 0 CHADMN C[C@@H](Nc1cc2c(cn1)CCCC2)c1ccns1 ZINC000926467028 1128173587 /nfs/dbraw/zinc/17/35/87/1128173587.db2.gz LDHXMOSGXRTRPF-SNVBAGLBSA-N 0 1 259.378 3.590 20 0 CHADMN Fc1cc(Cl)ccc1CNCc1ccc2c(c1)COC2 ZINC000494449723 1128174444 /nfs/dbraw/zinc/17/44/44/1128174444.db2.gz DBQDFSZRHIXRMF-UHFFFAOYSA-N 0 1 291.753 3.799 20 0 CHADMN C[C@@H](N[C@H]1C[C@H](c2ccccc2Cl)C1)c1ncco1 ZINC000926495538 1128175445 /nfs/dbraw/zinc/17/54/45/1128175445.db2.gz PBQNPMCSXCTQJC-IJLUTSLNSA-N 0 1 276.767 3.925 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1cscc1C ZINC000494501138 1128175999 /nfs/dbraw/zinc/17/59/99/1128175999.db2.gz BWTCZPIHPWPVFC-LBPRGKRZSA-N 0 1 260.406 3.865 20 0 CHADMN CCC1(N[C@@H](C)c2nc(Br)ccc2F)CC1 ZINC000926514826 1128176319 /nfs/dbraw/zinc/17/63/19/1128176319.db2.gz TWLLCCCPFIEFHA-QMMMGPOBSA-N 0 1 287.176 3.576 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1cscc1C ZINC000494525225 1128176688 /nfs/dbraw/zinc/17/66/88/1128176688.db2.gz NKYYGBGZNHEKQM-SNVBAGLBSA-N 0 1 267.419 3.977 20 0 CHADMN Cc1ccncc1CN[C@@H]1CCCc2c(Cl)ccnc21 ZINC000926527422 1128178478 /nfs/dbraw/zinc/17/84/78/1128178478.db2.gz XVKFNRGUAFWQSG-OAHLLOKOSA-N 0 1 287.794 3.606 20 0 CHADMN C[C@H]1C[C@H](NC2CC(Sc3ccccc3)C2)c2nccn21 ZINC000926532311 1128179206 /nfs/dbraw/zinc/17/92/06/1128179206.db2.gz LCUKPEQPUSGPMZ-QTISTPMNSA-N 0 1 299.443 3.802 20 0 CHADMN CC(C)(C)C[C@@H](NCc1ccno1)c1ccccc1 ZINC000223658002 1128180846 /nfs/dbraw/zinc/18/08/46/1128180846.db2.gz JBMNJVFJZLCMNY-OAHLLOKOSA-N 0 1 258.365 3.942 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3c2nccc3Cl)cc(C)n1 ZINC000926601177 1128183152 /nfs/dbraw/zinc/18/31/52/1128183152.db2.gz MVZXYMCRDUDRCI-OAHLLOKOSA-N 0 1 287.794 3.524 20 0 CHADMN C[C@@H](N[C@H]1CC12CC2)c1ncc(C(F)(F)F)cc1Cl ZINC000926617090 1128183774 /nfs/dbraw/zinc/18/37/74/1128183774.db2.gz WNAIENPKOWXOLA-XCBNKYQSSA-N 0 1 290.716 3.957 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2NCC(C)(C)c1ccc(C)cn1 ZINC000926755695 1128191879 /nfs/dbraw/zinc/19/18/79/1128191879.db2.gz ZLIDCQKUQBXKCN-AWEZNQCLSA-N 0 1 299.418 3.631 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](C)c2cc(O)cc(F)c2)s1 ZINC000926785142 1128194438 /nfs/dbraw/zinc/19/44/38/1128194438.db2.gz JPWNFBRKEVILEQ-DTWKUNHWSA-N 0 1 280.368 3.708 20 0 CHADMN C[C@H](NCc1ccc(C(C)(C)C)o1)c1cc[nH]c(=O)c1 ZINC000926802983 1128195435 /nfs/dbraw/zinc/19/54/35/1128195435.db2.gz KZKWJUHZWRWJMA-NSHDSACASA-N 0 1 274.364 3.529 20 0 CHADMN CC(C)=C1CC[C@@H](C)C[C@@H]1NCc1nn(C)cc1C(F)F ZINC000926805271 1128195762 /nfs/dbraw/zinc/19/57/62/1128195762.db2.gz POSOHPKWVDNXCA-RISCZKNCSA-N 0 1 297.393 3.972 20 0 CHADMN C[C@@H]1CC(C)(C)c2cccc(NC(=O)CCc3cnc[nH]3)c21 ZINC000928585199 1128244000 /nfs/dbraw/zinc/24/40/00/1128244000.db2.gz FZCLANOGMFDTKB-GFCCVEGCSA-N 0 1 297.402 3.766 20 0 CHADMN CCC[C@@H](C)c1noc(-c2cc(Cl)ccc2O)n1 ZINC000761849135 1128244701 /nfs/dbraw/zinc/24/47/01/1128244701.db2.gz KGGCAPDKBBNLPW-MRVPVSSYSA-N 0 1 266.728 3.999 20 0 CHADMN CN(C)Cc1ccc(N[C@H]2CCc3ccccc32)cc1F ZINC000777700251 1128247460 /nfs/dbraw/zinc/24/74/60/1128247460.db2.gz GCPHWVSOMYDNBK-SFHVURJKSA-N 0 1 284.378 3.987 20 0 CHADMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)c1ccco1 ZINC000777701306 1128247473 /nfs/dbraw/zinc/24/74/73/1128247473.db2.gz LLVDLYLDJRLMNY-NSHDSACASA-N 0 1 262.328 3.653 20 0 CHADMN CN(C)Cc1ccc(N[C@H]2CC(C)(C)OC2(C)C)cc1F ZINC000777701166 1128247500 /nfs/dbraw/zinc/24/75/00/1128247500.db2.gz QZJMUHKPMVDTMB-HNNXBMFYSA-N 0 1 294.414 3.645 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)N(C)Cc1cnn(CCF)c1 ZINC000929291379 1128268546 /nfs/dbraw/zinc/26/85/46/1128268546.db2.gz ORXUSMPXUGTWIK-LBPRGKRZSA-N 0 1 295.789 3.699 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1ccc(CF)cc1 ZINC000777712787 1128252927 /nfs/dbraw/zinc/25/29/27/1128252927.db2.gz DVWFDETZRRNZES-ZDUSSCGKSA-N 0 1 258.340 3.744 20 0 CHADMN CCc1cc(CN(C)CCc2ccccc2Cl)on1 ZINC001203225352 1128256055 /nfs/dbraw/zinc/25/60/55/1128256055.db2.gz OUOYPZPQLVPUJQ-UHFFFAOYSA-N 0 1 278.783 3.565 20 0 CHADMN Cc1nc(C)c(C[N@H+](C)[C@H](C)c2cc3ccccc3o2)[nH]1 ZINC000929093492 1128257024 /nfs/dbraw/zinc/25/70/24/1128257024.db2.gz SJUYJYSQRQMDRD-GFCCVEGCSA-N 0 1 283.375 3.966 20 0 CHADMN Cc1nc(C)c(CN(C)[C@H](C)c2cc3ccccc3o2)[nH]1 ZINC000929093492 1128257027 /nfs/dbraw/zinc/25/70/27/1128257027.db2.gz SJUYJYSQRQMDRD-GFCCVEGCSA-N 0 1 283.375 3.966 20 0 CHADMN Cc1ccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)nc1 ZINC000761972534 1128257555 /nfs/dbraw/zinc/25/75/55/1128257555.db2.gz BJHHPUHIXDZVFH-KRWDZBQOSA-N 0 1 294.398 3.926 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cc(C)cc(C)n2)cc1 ZINC000929114482 1128258628 /nfs/dbraw/zinc/25/86/28/1128258628.db2.gz NDDGAPFMVLTBNT-OAHLLOKOSA-N 0 1 284.403 3.900 20 0 CHADMN Cc1ccc(C2=CCN(Cc3cc(C)nnc3C)CC2)cc1 ZINC000929147457 1128260760 /nfs/dbraw/zinc/26/07/60/1128260760.db2.gz NRWXROFOIDBMMO-UHFFFAOYSA-N 0 1 293.414 3.691 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccco2)ccc1OC(C)C ZINC000035137002 1128260793 /nfs/dbraw/zinc/26/07/93/1128260793.db2.gz SDBUVYGKINCDSA-ZDUSSCGKSA-N 0 1 289.375 3.926 20 0 CHADMN Cc1nnsc1[C@H](C)N1CCC(c2ccccc2)CC1 ZINC000929166470 1128261572 /nfs/dbraw/zinc/26/15/72/1128261572.db2.gz WNKFKIPMRIRZGK-ZDUSSCGKSA-N 0 1 287.432 3.787 20 0 CHADMN CN(Cc1cnn(CCF)c1)Cc1ccc2ccccc2c1 ZINC000929179422 1128262819 /nfs/dbraw/zinc/26/28/19/1128262819.db2.gz OFDNAUJTVCNTDL-UHFFFAOYSA-N 0 1 297.377 3.638 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)N[C@@H](C)c1cncnc1C ZINC000926899769 1128201439 /nfs/dbraw/zinc/20/14/39/1128201439.db2.gz ZIHSARLTZODUJM-STQMWFEESA-N 0 1 273.355 3.644 20 0 CHADMN Cc1cnc(CN[C@H](c2ccccn2)C2CCC2)c(C)c1 ZINC000926958448 1128205942 /nfs/dbraw/zinc/20/59/42/1128205942.db2.gz FUKNEKSVWCVIFZ-SFHVURJKSA-N 0 1 281.403 3.724 20 0 CHADMN c1sc(C2CCCC2)nc1CNC1(C2CC2)CC1 ZINC000542520545 1128209458 /nfs/dbraw/zinc/20/94/58/1128209458.db2.gz BWWURRMEYJQQQP-UHFFFAOYSA-N 0 1 262.422 3.833 20 0 CHADMN Fc1cncc([C@@H](N[C@@H]2CCCc3cccnc32)C2CC2)c1 ZINC000927061206 1128212348 /nfs/dbraw/zinc/21/23/48/1128212348.db2.gz LPYMBRJGPDJUJU-SJORKVTESA-N 0 1 297.377 3.734 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H]2CCCc3cccnc32)cc1O ZINC000927061288 1128212524 /nfs/dbraw/zinc/21/25/24/1128212524.db2.gz MYFFYZYWXPDWDS-IUODEOHRSA-N 0 1 298.386 3.524 20 0 CHADMN CC(C)C[C@@H](C)N(C)CC(=O)Nc1ccccc1Cl ZINC000914574125 1128212605 /nfs/dbraw/zinc/21/26/05/1128212605.db2.gz CQCMONLUZHAJBG-GFCCVEGCSA-N 0 1 282.815 3.645 20 0 CHADMN C[C@H](N[C@@H]1CCCc2cccnc21)c1ccc(Cl)nc1 ZINC000927059890 1128212647 /nfs/dbraw/zinc/21/26/47/1128212647.db2.gz OQTZXFOXRSDNJA-SMDDNHRTSA-N 0 1 287.794 3.858 20 0 CHADMN CCC[C@@H](C)NCc1ncc(Cl)cc1Br ZINC001257308329 1128213977 /nfs/dbraw/zinc/21/39/77/1128213977.db2.gz NLBQVOZRXAMHON-MRVPVSSYSA-N 0 1 291.620 3.776 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](c2cnn(C)c2)C(C)C)c(C)o1 ZINC000927066237 1128214451 /nfs/dbraw/zinc/21/44/51/1128214451.db2.gz AKACGPXMNDOYHJ-MLGOLLRUSA-N 0 1 275.396 3.678 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1ccncc1Cl)c1cnn(C)c1 ZINC000927067826 1128215069 /nfs/dbraw/zinc/21/50/69/1128215069.db2.gz HOMBIJSMWYRXGG-IAQYHMDHSA-N 0 1 292.814 3.516 20 0 CHADMN CCn1cccc1CN(C)[C@H](C)c1ccc(F)cc1 ZINC000494959022 1128215914 /nfs/dbraw/zinc/21/59/14/1128215914.db2.gz PTRNMLIOYOOUKX-CYBMUJFWSA-N 0 1 260.356 3.840 20 0 CHADMN Cc1cc([C@@H](C)NCc2cc(C3CC3)nn2C)cs1 ZINC000927099046 1128217733 /nfs/dbraw/zinc/21/77/33/1128217733.db2.gz GMPOICSOCRDNDC-LLVKDONJSA-N 0 1 275.421 3.518 20 0 CHADMN Cn1nc(CN[C@H](CC2CC2)c2ccccc2)cc1C1CC1 ZINC000927113140 1128218463 /nfs/dbraw/zinc/21/84/63/1128218463.db2.gz XESIDMSNWJXEJB-GOSISDBHSA-N 0 1 295.430 3.929 20 0 CHADMN Cn1nc(CN[C@H]2CCCCc3ccccc32)cc1C1CC1 ZINC000927112720 1128218491 /nfs/dbraw/zinc/21/84/91/1128218491.db2.gz QGEKLEADYWTOER-SFHVURJKSA-N 0 1 295.430 3.855 20 0 CHADMN CCc1onc(C)c1CN[C@@H](c1cccnc1)C1CCC1 ZINC000927134101 1128221328 /nfs/dbraw/zinc/22/13/28/1128221328.db2.gz HEXUOLYNAUHRFX-QGZVFWFLSA-N 0 1 285.391 3.571 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2c(C)noc2CC)cc1 ZINC000927143315 1128222521 /nfs/dbraw/zinc/22/25/21/1128222521.db2.gz YRWTVUPPRQZPNA-GFCCVEGCSA-N 0 1 288.391 3.795 20 0 CHADMN CC(C)[C@@H]1CCN1Cc1cnc(-c2ccco2)s1 ZINC000495036285 1128224988 /nfs/dbraw/zinc/22/49/88/1128224988.db2.gz MCNBVXMZFSAMAN-LBPRGKRZSA-N 0 1 262.378 3.633 20 0 CHADMN CC(C)(C)c1ncc(CN[C@H]2CCc3ccc(F)cc32)cn1 ZINC000671307250 1128231358 /nfs/dbraw/zinc/23/13/58/1128231358.db2.gz VWUBRVSGENJWEI-INIZCTEOSA-N 0 1 299.393 3.690 20 0 CHADMN CCN(Cc1cnn(CCF)c1)[C@H](C)c1ccc(F)cc1 ZINC000929334259 1128269947 /nfs/dbraw/zinc/26/99/47/1128269947.db2.gz UTBPBTAUERAIKK-CYBMUJFWSA-N 0 1 293.361 3.575 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cc(C)nnc2C)c(C)c1 ZINC000929326532 1128270492 /nfs/dbraw/zinc/27/04/92/1128270492.db2.gz UPQZKDCBOCFIAN-INIZCTEOSA-N 0 1 283.419 3.903 20 0 CHADMN Cc1ccc(CN(Cc2cnn(CCF)c2)C(C)C)s1 ZINC000929339837 1128270510 /nfs/dbraw/zinc/27/05/10/1128270510.db2.gz OKOOYEXIFLBTQT-UHFFFAOYSA-N 0 1 295.427 3.633 20 0 CHADMN CC(C)Oc1ncccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000387020620 1128271040 /nfs/dbraw/zinc/27/10/40/1128271040.db2.gz CUJAYEKRHDDCHK-CQSZACIVSA-N 0 1 295.386 3.591 20 0 CHADMN CCCCCC[C@@H](C)N1CCN(C)c2ncccc2C1 ZINC001257367459 1128277593 /nfs/dbraw/zinc/27/75/93/1128277593.db2.gz CEWAWCOJAMODBB-OAHLLOKOSA-N 0 1 275.440 3.692 20 0 CHADMN Cc1nnsc1[C@H](C)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000929647342 1128280213 /nfs/dbraw/zinc/28/02/13/1128280213.db2.gz IDTILHQTLODQGC-DZGCQCFKSA-N 0 1 277.437 3.730 20 0 CHADMN CCc1ncc(CN(Cc2ccc(F)cc2)CC2CC2)o1 ZINC000929657567 1128280438 /nfs/dbraw/zinc/28/04/38/1128280438.db2.gz WZUKRHMZVYATNL-UHFFFAOYSA-N 0 1 288.366 3.788 20 0 CHADMN C[C@@H]1[C@H](C)SCCN1Cc1cnc(-c2ccccc2)o1 ZINC000929673325 1128281340 /nfs/dbraw/zinc/28/13/40/1128281340.db2.gz XMXHOBLPQNNHAX-OLZOCXBDSA-N 0 1 288.416 3.667 20 0 CHADMN CCc1nc(C)c([C@H](C)N(C)C/C=C(\C)COC)s1 ZINC000929705180 1128283164 /nfs/dbraw/zinc/28/31/64/1128283164.db2.gz ZSMRINSGMMKJOX-YKWSONSWSA-N 0 1 282.453 3.599 20 0 CHADMN Cc1nc(C)c(CN2C[C@@H](C)C[C@@H]2c2cccc(F)c2)[nH]1 ZINC000929720916 1128283633 /nfs/dbraw/zinc/28/36/33/1128283633.db2.gz UGPPAELUHBGYCX-APPDUMDISA-N 0 1 287.382 3.749 20 0 CHADMN Cc1cc(C)nc(CN2CC[C@@H]2c2ccccc2)c1 ZINC000929788301 1128287514 /nfs/dbraw/zinc/28/75/14/1128287514.db2.gz OFTIXGJOYWHHIN-QGZVFWFLSA-N 0 1 252.361 3.645 20 0 CHADMN CCc1ccc2ccccc2c1CN(C)Cc1cnccn1 ZINC000929799667 1128288470 /nfs/dbraw/zinc/28/84/70/1128288470.db2.gz YKEUCWNIHWIIAT-UHFFFAOYSA-N 0 1 291.398 3.824 20 0 CHADMN C[C@@H](c1ncccn1)N1CC[C@H](CSc2ccccc2)C1 ZINC000929730317 1128284061 /nfs/dbraw/zinc/28/40/61/1128284061.db2.gz AZKBVTMTVYPGHQ-GJZGRUSLSA-N 0 1 299.443 3.652 20 0 CHADMN Cc1cc(CN2C[C@@H](C)C[C@@H]2c2ccccc2F)c(C)nn1 ZINC000929725312 1128284109 /nfs/dbraw/zinc/28/41/09/1128284109.db2.gz IGRQHBCWGWWWDO-KPZWWZAWSA-N 0 1 299.393 3.816 20 0 CHADMN CCc1onc(C)c1CN1CCCC[C@@H]1c1cccn1C ZINC000929766278 1128286445 /nfs/dbraw/zinc/28/64/45/1128286445.db2.gz KRBVKJFLNMROKV-MRXNPFEDSA-N 0 1 287.407 3.611 20 0 CHADMN FCCn1cc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)cn1 ZINC000929890424 1128292035 /nfs/dbraw/zinc/29/20/35/1128292035.db2.gz WCBAWWBRCPLBRQ-SFHVURJKSA-N 0 1 299.393 3.505 20 0 CHADMN Cc1cc(CN([C@H](C)c2ccccc2)C2CC2)c(C)nn1 ZINC000929906578 1128292869 /nfs/dbraw/zinc/29/28/69/1128292869.db2.gz VXQMLXQLECHCNY-OAHLLOKOSA-N 0 1 281.403 3.819 20 0 CHADMN CC(C)[C@@H](C)N(C)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000929907557 1128293439 /nfs/dbraw/zinc/29/34/39/1128293439.db2.gz OIQMEXNLPHOWGU-SECBINFHSA-N 0 1 295.333 3.617 20 0 CHADMN Cc1ccccc1[C@H](C)N(C)CC(=O)Nc1ccccc1 ZINC000193426007 1128295091 /nfs/dbraw/zinc/29/50/91/1128295091.db2.gz CLBJYPDTFPTUKU-HNNXBMFYSA-N 0 1 282.387 3.627 20 0 CHADMN Cc1csc(C(C)(C)NC[C@@H]2CCCC3(CCC3)O2)n1 ZINC000929989323 1128296624 /nfs/dbraw/zinc/29/66/24/1128296624.db2.gz VTTZJXAVHHDJQV-ZDUSSCGKSA-N 0 1 294.464 3.768 20 0 CHADMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1coc(C(C)(C)C)n1 ZINC000930176218 1128304096 /nfs/dbraw/zinc/30/40/96/1128304096.db2.gz WRFFSBAOVSLNKL-YPMHNXCESA-N 0 1 250.386 3.735 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1coc(C(C)(C)C)n1 ZINC000930176218 1128304100 /nfs/dbraw/zinc/30/41/00/1128304100.db2.gz WRFFSBAOVSLNKL-YPMHNXCESA-N 0 1 250.386 3.735 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(C)cc(C)n2)cc1F ZINC000930186570 1128305865 /nfs/dbraw/zinc/30/58/65/1128305865.db2.gz ZUZQMWSMXOIGKB-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN O=C1C[C@@H](c2ccccc2)N1CN1CCC2(CCCC2)CC1 ZINC000153583057 1128308400 /nfs/dbraw/zinc/30/84/00/1128308400.db2.gz MKVSZIOSBNMPQU-KRWDZBQOSA-N 0 1 298.430 3.574 20 0 CHADMN CC(=O)Oc1ccc(C[N@H+](C)Cc2cccc(C)c2)cc1 ZINC000762627938 1128311818 /nfs/dbraw/zinc/31/18/18/1128311818.db2.gz GCGXNAQCCZJFSP-UHFFFAOYSA-N 0 1 283.371 3.552 20 0 CHADMN COc1ccccc1C(C)(C)NCc1ccnc(Cl)c1 ZINC000171672670 1128313225 /nfs/dbraw/zinc/31/32/25/1128313225.db2.gz NIUUFHQPDPVWOF-UHFFFAOYSA-N 0 1 290.794 3.769 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(Br)cc1N ZINC000094047893 1128321537 /nfs/dbraw/zinc/32/15/37/1128321537.db2.gz QOIKYOVYDXPBHD-WDEREUQCSA-N 0 1 297.240 3.652 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2ccc(Br)cc2N)C1 ZINC000094047193 1128321734 /nfs/dbraw/zinc/32/17/34/1128321734.db2.gz JTUFWQHNLJWTSC-GHMZBOCLSA-N 0 1 297.240 3.509 20 0 CHADMN CCC(C)(C)C1CCC(N2CCC(=O)[C@H](C)C2)CC1 ZINC001257405514 1128317349 /nfs/dbraw/zinc/31/73/49/1128317349.db2.gz KVCQIXNVOBQYFH-WLYUNCDWSA-N 0 1 265.441 3.892 20 0 CHADMN Cc1ccc(NC(=O)CN(C)CCC(C)C)c(Cl)c1 ZINC000193565408 1128317474 /nfs/dbraw/zinc/31/74/74/1128317474.db2.gz KJBVRHBJGHJIBP-UHFFFAOYSA-N 0 1 282.815 3.565 20 0 CHADMN C[C@@H]1CC/C(=C\C(=O)Nc2cccc(Cl)c2O)C1 ZINC000762804187 1128318773 /nfs/dbraw/zinc/31/87/73/1128318773.db2.gz GEDHKFHWTMEKGG-NCXKZPMSSA-N 0 1 265.740 3.731 20 0 CHADMN O=C(OCc1ccc(CF)cc1)c1ccc(O)c(Cl)c1 ZINC000762823077 1128319776 /nfs/dbraw/zinc/31/97/76/1128319776.db2.gz LDTQNIQFVYKTFH-UHFFFAOYSA-N 0 1 294.709 3.872 20 0 CHADMN CC[C@@H]1C[C@H]1CN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000930482043 1128320621 /nfs/dbraw/zinc/32/06/21/1128320621.db2.gz JLOXYJCNLHMEBI-SNPRPXQTSA-N 0 1 289.423 3.910 20 0 CHADMN CC(C)c1ccccc1CN[C@](C)(CO)c1cccc(O)c1 ZINC000930497993 1128323106 /nfs/dbraw/zinc/32/31/06/1128323106.db2.gz BFXPRBYXEXXDRC-LJQANCHMSA-N 0 1 299.414 3.513 20 0 CHADMN Cc1ccc2nc(NC(=O)Cc3cc(C)ccc3C)[nH]c2c1 ZINC000561509062 1128334147 /nfs/dbraw/zinc/33/41/47/1128334147.db2.gz MKMFDKJFQZDTDQ-UHFFFAOYSA-N 0 1 293.370 3.669 20 0 CHADMN Cc1cc(C)nc(CN2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000930747751 1128334320 /nfs/dbraw/zinc/33/43/20/1128334320.db2.gz GCAGWHIGFMXSOY-ZDUSSCGKSA-N 0 1 286.341 3.863 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)[N@H+]1CCc2cc(F)ccc2C1 ZINC001168496353 1128327185 /nfs/dbraw/zinc/32/71/85/1128327185.db2.gz ISROQWAYMSKMKF-ZDUSSCGKSA-N 0 1 287.353 3.954 20 0 CHADMN Cc1nnsc1[C@H](C)N[C@H](C)c1ccc(F)c(C)c1 ZINC000930599281 1128327288 /nfs/dbraw/zinc/32/72/88/1128327288.db2.gz WQVXRYPWZGVBPA-ZJUUUORDSA-N 0 1 279.384 3.706 20 0 CHADMN C[C@]1(F)CCCN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000930595453 1128327549 /nfs/dbraw/zinc/32/75/49/1128327549.db2.gz QHQRUPQRDATOKL-KFWWJZLASA-N 0 1 283.337 3.859 20 0 CHADMN CCCC[C@@H](CC)NC1(c2cccc(F)c2)COC1 ZINC001257410887 1128327617 /nfs/dbraw/zinc/32/76/17/1128327617.db2.gz NNRYBYTZURVORC-OAHLLOKOSA-N 0 1 265.372 3.610 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H](c3cccnc3)C2)c1F ZINC000930813677 1128336220 /nfs/dbraw/zinc/33/62/20/1128336220.db2.gz CZELQQDSEYWUJN-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1nc(C)c(CNC2(c3ccccc3Cl)CCC2)[nH]1 ZINC000930843054 1128337842 /nfs/dbraw/zinc/33/78/42/1128337842.db2.gz PEVIVXKBROWYPW-UHFFFAOYSA-N 0 1 289.810 3.849 20 0 CHADMN CCC[C@H](CC)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000930978917 1128342803 /nfs/dbraw/zinc/34/28/03/1128342803.db2.gz HFXITZFCKUUCTH-AWEZNQCLSA-N 0 1 292.423 3.574 20 0 CHADMN CCC[C@@H](CC)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000930978919 1128343035 /nfs/dbraw/zinc/34/30/35/1128343035.db2.gz HFXITZFCKUUCTH-CQSZACIVSA-N 0 1 292.423 3.574 20 0 CHADMN CON(Cc1cnc[nH]1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000932541134 1128413628 /nfs/dbraw/zinc/41/36/28/1128413628.db2.gz VWSPJWQPCMJGQQ-JTQLQIEISA-N 0 1 299.296 3.553 20 0 CHADMN C[C@H]1CC/C(=C\c2nc(-c3ccn4cncc4c3)no2)C1 ZINC000562619570 1128414045 /nfs/dbraw/zinc/41/40/45/1128414045.db2.gz DARWFRRAXPWATH-WBOGTDJTSA-N 0 1 280.331 3.588 20 0 CHADMN Cc1nc(CN2CC[C@@H](C(C)(C)C)C[C@@H]2C)oc1C ZINC000561956276 1128364578 /nfs/dbraw/zinc/36/45/78/1128364578.db2.gz GGVGORNJFHEYKA-SMDDNHRTSA-N 0 1 264.413 3.938 20 0 CHADMN CCc1cccc(F)c1CN(C)Cc1ccc(O)cc1 ZINC000561980674 1128366786 /nfs/dbraw/zinc/36/67/86/1128366786.db2.gz HOUPBWVIGDTVDG-UHFFFAOYSA-N 0 1 273.351 3.726 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1scnc1C1CC1 ZINC000561981706 1128367193 /nfs/dbraw/zinc/36/71/93/1128367193.db2.gz DEOJFCCWWYBHLR-CQSZACIVSA-N 0 1 287.432 3.999 20 0 CHADMN O=C(CCCCc1ccccc1)Nc1ccc2nc[nH]c2c1 ZINC001626900018 1128368588 /nfs/dbraw/zinc/36/85/88/1128368588.db2.gz OFZIISJFLZCQDS-UHFFFAOYSA-N 0 1 293.370 3.914 20 0 CHADMN CC(C)(C)[C@H]1CSCCN1Cc1cnc(C2CC2)o1 ZINC000931592286 1128371057 /nfs/dbraw/zinc/37/10/57/1128371057.db2.gz JLZUVBYSZJRXEN-CYBMUJFWSA-N 0 1 280.437 3.516 20 0 CHADMN Cc1cc(CN2C[C@@H]3CC[C@H]2c2ccccc23)c(C)nn1 ZINC000931706057 1128378600 /nfs/dbraw/zinc/37/86/00/1128378600.db2.gz WPHAAVLQGDAZEB-KSSFIOAISA-N 0 1 279.387 3.528 20 0 CHADMN CC[C@@H]1CCCN1C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000931766930 1128380986 /nfs/dbraw/zinc/38/09/86/1128380986.db2.gz HVNINVUPXHXQPP-SECBINFHSA-N 0 1 293.317 3.515 20 0 CHADMN COc1cc(CN[C@@H]2CCc3cccc4cccc2c43)on1 ZINC000931809776 1128383085 /nfs/dbraw/zinc/38/30/85/1128383085.db2.gz VZHUASOYOYSOCX-MRXNPFEDSA-N 0 1 294.354 3.614 20 0 CHADMN CC1=C[C@@H](C)C[C@H](CNCc2nc(-c3ccccc3)no2)C1 ZINC000562211370 1128386991 /nfs/dbraw/zinc/38/69/91/1128386991.db2.gz LAHMBYTUICHGQH-HIFRSBDPSA-N 0 1 297.402 3.819 20 0 CHADMN Clc1cccc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)n1 ZINC000931933280 1128388256 /nfs/dbraw/zinc/38/82/56/1128388256.db2.gz NTMYAYJDLOOLNT-PBHICJAKSA-N 0 1 284.790 3.509 20 0 CHADMN Cc1nc([C@@H]2CCN([C@H](C)c3ccc(Cl)cc3)C2)no1 ZINC000931936521 1128388667 /nfs/dbraw/zinc/38/86/67/1128388667.db2.gz OOWDSKSPIHKIAS-ZWNOBZJWSA-N 0 1 291.782 3.582 20 0 CHADMN C[C@@H](N(C)Cc1csc(N(C)C2CC2)n1)C(C)(C)C ZINC000562320357 1128395212 /nfs/dbraw/zinc/39/52/12/1128395212.db2.gz WCMQXXINMULBET-LLVKDONJSA-N 0 1 281.469 3.608 20 0 CHADMN CC(C)(C)OC[C@@H]1CCCN1Cc1ncccc1Cl ZINC000932168941 1128398030 /nfs/dbraw/zinc/39/80/30/1128398030.db2.gz WPIIUMXPJMDXRC-LBPRGKRZSA-N 0 1 282.815 3.515 20 0 CHADMN CCOc1ccc(CN[C@H](c2ccccc2)C2CC2)nc1 ZINC001168509646 1128417896 /nfs/dbraw/zinc/41/78/96/1128417896.db2.gz NQUKIBMRCVAGHB-GOSISDBHSA-N 0 1 282.387 3.721 20 0 CHADMN Cc1oncc1CN(Cc1cccc(F)c1)C1CCC1 ZINC000932402974 1128407783 /nfs/dbraw/zinc/40/77/83/1128407783.db2.gz LICXBNPHVQHFNH-UHFFFAOYSA-N 0 1 274.339 3.677 20 0 CHADMN COCCCCN(Cc1nc2ccccc2s1)C1CC1 ZINC000932397846 1128408027 /nfs/dbraw/zinc/40/80/27/1128408027.db2.gz YLIYNQSCUUTJCK-UHFFFAOYSA-N 0 1 290.432 3.687 20 0 CHADMN C[C@H](COCC1CCCCC1)NCc1cc(C2CC2)no1 ZINC000932422835 1128409478 /nfs/dbraw/zinc/40/94/78/1128409478.db2.gz MHLISXKEISELDC-CYBMUJFWSA-N 0 1 292.423 3.627 20 0 CHADMN C[C@H]1CN(Cc2ccc(F)cc2)Cc2ccccc21 ZINC000916151558 1128409652 /nfs/dbraw/zinc/40/96/52/1128409652.db2.gz JOBMLWPSHXZJSC-ZDUSSCGKSA-N 0 1 255.336 3.945 20 0 CHADMN CC[C@H](C)N1CCO[C@](C)(c2ccc(Cl)cc2)C1 ZINC001257444163 1128419564 /nfs/dbraw/zinc/41/95/64/1128419564.db2.gz SNSOHTUWKQHEQA-WFASDCNBSA-N 0 1 267.800 3.686 20 0 CHADMN Cc1nccnc1CNC(C)(C)c1ccc2ccccc2c1 ZINC000623803539 1128419733 /nfs/dbraw/zinc/41/97/33/1128419733.db2.gz KHHWEIKTNQFXMW-UHFFFAOYSA-N 0 1 291.398 3.963 20 0 CHADMN COc1cc(C)c(C)cc1CN1CCCCC12CC2 ZINC001238767402 1131243118 /nfs/dbraw/zinc/24/31/18/1131243118.db2.gz PHUCJLJGKDVOLE-UHFFFAOYSA-N 0 1 259.393 3.831 20 0 CHADMN Cc1ccc(F)c(CSc2nc(C3CC3)n[nH]2)c1F ZINC000916538426 1128423405 /nfs/dbraw/zinc/42/34/05/1128423405.db2.gz FVEOYLJRUIHHQA-UHFFFAOYSA-N 0 1 281.331 3.561 20 0 CHADMN Cc1ccc(F)c(CSc2n[nH]c(C3CC3)n2)c1F ZINC000916538426 1128423408 /nfs/dbraw/zinc/42/34/08/1128423408.db2.gz FVEOYLJRUIHHQA-UHFFFAOYSA-N 0 1 281.331 3.561 20 0 CHADMN CC[C@H]1CO[C@H](C)CN1CCCOc1c(C)cccc1C ZINC000496854694 1128424379 /nfs/dbraw/zinc/42/43/79/1128424379.db2.gz RXZJDYLPVFVZAT-SJORKVTESA-N 0 1 291.435 3.572 20 0 CHADMN CC=CC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000916564325 1128425859 /nfs/dbraw/zinc/42/58/59/1128425859.db2.gz FSXOOEOBWQNJSC-QHHAFSJGSA-N 0 1 277.327 3.745 20 0 CHADMN CCO[C@H]1CC[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000932975442 1128427753 /nfs/dbraw/zinc/42/77/53/1128427753.db2.gz RYOWVNHXYDUAOD-ZFWWWQNUSA-N 0 1 286.375 3.513 20 0 CHADMN CCO[C@H]1CCN([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000932975442 1128427755 /nfs/dbraw/zinc/42/77/55/1128427755.db2.gz RYOWVNHXYDUAOD-ZFWWWQNUSA-N 0 1 286.375 3.513 20 0 CHADMN Cc1cc2c(ncnc2-c2c(F)cc(F)c(O)c2F)s1 ZINC001235987724 1128432090 /nfs/dbraw/zinc/43/20/90/1128432090.db2.gz YKDYEVOKOCNCRH-UHFFFAOYSA-N 0 1 296.273 3.790 20 0 CHADMN CC[C@H]1CN(CCCOc2c(C)cccc2C)C[C@H](C)O1 ZINC000496982371 1128434813 /nfs/dbraw/zinc/43/48/13/1128434813.db2.gz JHZQHIJVSWOEPW-IRXDYDNUSA-N 0 1 291.435 3.572 20 0 CHADMN Cc1nc(C)c(CN(C)Cc2c(C)cccc2C)o1 ZINC000933763574 1128442570 /nfs/dbraw/zinc/44/25/70/1128442570.db2.gz GKAAEVFDIWARDG-UHFFFAOYSA-N 0 1 258.365 3.540 20 0 CHADMN CCC[C@](C)(NCc1nn(C)cc1C)c1ccccc1 ZINC000934180380 1128452848 /nfs/dbraw/zinc/45/28/48/1128452848.db2.gz PEKVOBFYRRBRCJ-KRWDZBQOSA-N 0 1 271.408 3.534 20 0 CHADMN CCC[C@@](C)(NCc1ncc(Cl)n1C)c1ccccc1 ZINC000934185523 1128453718 /nfs/dbraw/zinc/45/37/18/1128453718.db2.gz IXYNMEAZVXCRGD-MRXNPFEDSA-N 0 1 291.826 3.879 20 0 CHADMN CCCCC1(NCc2nc3cc(F)ccc3o2)CC1 ZINC000934206809 1128454691 /nfs/dbraw/zinc/45/46/91/1128454691.db2.gz DVSIVAKBUSKCBN-UHFFFAOYSA-N 0 1 262.328 3.779 20 0 CHADMN CCCCC1(NCc2nc(C)c3ccccc3n2)CC1 ZINC000934208342 1128454842 /nfs/dbraw/zinc/45/48/42/1128454842.db2.gz ZPNBEHHOPXBHSQ-UHFFFAOYSA-N 0 1 269.392 3.751 20 0 CHADMN CC[C@H]1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000125443517 1128449777 /nfs/dbraw/zinc/44/97/77/1128449777.db2.gz SYXZYJDYKKRGBJ-QWRGUYRKSA-N 0 1 298.789 3.538 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN1C(C)C ZINC000934067722 1128450215 /nfs/dbraw/zinc/45/02/15/1128450215.db2.gz CVBWTIDXUKXYRH-INIZCTEOSA-N 0 1 288.435 3.930 20 0 CHADMN C[C@H](NCc1ccsc1)c1cnn(CC2CCC2)c1 ZINC000934559697 1128462913 /nfs/dbraw/zinc/46/29/13/1128462913.db2.gz QSUWZQQCDAUUKV-LBPRGKRZSA-N 0 1 275.421 3.596 20 0 CHADMN Clc1ccccc1CN[C@H](c1ccncc1)C1CC1 ZINC000934682136 1128465954 /nfs/dbraw/zinc/46/59/54/1128465954.db2.gz GBJDCFKTHNOCRI-INIZCTEOSA-N 0 1 272.779 3.976 20 0 CHADMN CSCC(C)(C)NCc1ncc(-c2cccs2)o1 ZINC000934675875 1128465998 /nfs/dbraw/zinc/46/59/98/1128465998.db2.gz VXXQLGXENJIRCF-UHFFFAOYSA-N 0 1 282.434 3.634 20 0 CHADMN Fc1ccc(CN[C@H](c2ccncc2)C2CC2)c(F)c1 ZINC000934693427 1128466460 /nfs/dbraw/zinc/46/64/60/1128466460.db2.gz SJAFLLLEHPLFHZ-INIZCTEOSA-N 0 1 274.314 3.601 20 0 CHADMN CCC[C@H](C)CC[C@@H](C)N[C@H](C)c1ncc(F)cn1 ZINC001257470355 1128468593 /nfs/dbraw/zinc/46/85/93/1128468593.db2.gz GVCMQEOJYLPTCX-YNEHKIRRSA-N 0 1 267.392 3.871 20 0 CHADMN C(NC1(C2CCCCC2)CC1)c1nc(C2CCC2)no1 ZINC000934789858 1128468994 /nfs/dbraw/zinc/46/89/94/1128468994.db2.gz NMIKWKGIOGCYEP-UHFFFAOYSA-N 0 1 275.396 3.540 20 0 CHADMN CC(C)c1nc(CCN(C)Cc2csc(Cl)c2)no1 ZINC001142760164 1128470819 /nfs/dbraw/zinc/47/08/19/1128470819.db2.gz IXLKRQJNADOLAM-UHFFFAOYSA-N 0 1 299.827 3.582 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000127322649 1128475679 /nfs/dbraw/zinc/47/56/79/1128475679.db2.gz PQDIRYPFLIGVPK-CHWSQXEVSA-N 0 1 299.418 3.764 20 0 CHADMN C[C@@H]1CO[C@@H](c2ccccc2)CN1[C@H]1C=CCCC1 ZINC000066498170 1128474896 /nfs/dbraw/zinc/47/48/96/1128474896.db2.gz JYOUZJCINQBDGS-HYVNUMGLSA-N 0 1 257.377 3.557 20 0 CHADMN CC(C)N(Cc1ccco1)Cc1ccc2c(n1)CCC2 ZINC000563793408 1128479396 /nfs/dbraw/zinc/47/93/96/1128479396.db2.gz XOAYDXQOEAWNEJ-UHFFFAOYSA-N 0 1 270.376 3.574 20 0 CHADMN Cc1cccc(CN[C@H]2c3cc(F)ccc3C[C@H]2C)n1 ZINC000127337650 1128476496 /nfs/dbraw/zinc/47/64/96/1128476496.db2.gz BCMJSQAUAAVFDF-PIGZYNQJSA-N 0 1 270.351 3.552 20 0 CHADMN C[C@H]1CCCC[C@H]1N(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000563748607 1128477202 /nfs/dbraw/zinc/47/72/02/1128477202.db2.gz KMOACPWWIQBXHK-XJKSGUPXSA-N 0 1 297.402 3.727 20 0 CHADMN CC(C)c1ccc(NC(=O)C[N@H+](CC2CC2)C(C)C)cc1 ZINC000917101762 1128481194 /nfs/dbraw/zinc/48/11/94/1128481194.db2.gz QIGXVQXHJKDAKM-UHFFFAOYSA-N 0 1 288.435 3.869 20 0 CHADMN CN(Cc1nc(C(C)(C)C)no1)C1CCC(C)(C)CC1 ZINC000127625918 1128481334 /nfs/dbraw/zinc/48/13/34/1128481334.db2.gz VTXUIXMWJCJQPN-UHFFFAOYSA-N 0 1 279.428 3.768 20 0 CHADMN CC(C)CC1(CN[C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000128022050 1128485709 /nfs/dbraw/zinc/48/57/09/1128485709.db2.gz LBTHUTKHMXYCHI-MRXNPFEDSA-N 0 1 283.419 3.915 20 0 CHADMN CCC[C@H](C)CC[C@H](C)N1CCn2c(cnc2C)C1 ZINC001257478002 1128487001 /nfs/dbraw/zinc/48/70/01/1128487001.db2.gz PYRVLPVFAQDPHZ-KBPBESRZSA-N 0 1 263.429 3.612 20 0 CHADMN Cc1ncc(CN2CCC(C3CCCCC3)CC2)cn1 ZINC000917134692 1128487220 /nfs/dbraw/zinc/48/72/20/1128487220.db2.gz XRGMGIMVXQNPPA-UHFFFAOYSA-N 0 1 273.424 3.577 20 0 CHADMN CC(C)N1CCC[C@@H]1C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000935537611 1128493423 /nfs/dbraw/zinc/49/34/23/1128493423.db2.gz TUFHGOLEAQNZSX-CQSZACIVSA-N 0 1 296.361 3.610 20 0 CHADMN Cc1ccccc1CN1N=C(c2ccc(Cl)cc2)CC1=O ZINC000917345659 1128494973 /nfs/dbraw/zinc/49/49/73/1128494973.db2.gz DRJOBMRAQIOHOH-UHFFFAOYSA-N 0 1 298.773 3.785 20 0 CHADMN Cc1n[nH]c(C)c1CN(C)Cc1csc2ccccc12 ZINC000128503252 1128500952 /nfs/dbraw/zinc/50/09/52/1128500952.db2.gz UTIWHLLETFEMIJ-UHFFFAOYSA-N 0 1 285.416 3.873 20 0 CHADMN O=C(C[C@H]1CC=CCC1)Nc1cc(Cl)c(O)cc1F ZINC000935973404 1128506776 /nfs/dbraw/zinc/50/67/76/1128506776.db2.gz VUKFYBCJAPGUEW-VIFPVBQESA-N 0 1 283.730 3.870 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000935973147 1128507009 /nfs/dbraw/zinc/50/70/09/1128507009.db2.gz OKDUYWRYMJOWLV-OWUUHHOZSA-N 0 1 297.757 3.950 20 0 CHADMN CCCCN(CCCC)Cn1c2cc(C)ccc2oc1=O ZINC000917615366 1128513367 /nfs/dbraw/zinc/51/33/67/1128513367.db2.gz LIUSYDMYUQIHIB-UHFFFAOYSA-N 0 1 290.407 3.763 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cnc(C)s2)cc1O ZINC000631708136 1128517204 /nfs/dbraw/zinc/51/72/04/1128517204.db2.gz NHDBEPKHXWWTHJ-NXEZZACHSA-N 0 1 292.404 3.578 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1ccc(C)cn1 ZINC000128890342 1128520378 /nfs/dbraw/zinc/52/03/78/1128520378.db2.gz ZEZLIOIDDLAHOI-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN Cc1[nH]c2ccc(CN[C@@H](C)c3cncnc3C)cc2c1C ZINC000565218912 1128521882 /nfs/dbraw/zinc/52/18/82/1128521882.db2.gz QKURHLUHFJMBPN-ZDUSSCGKSA-N 0 1 294.402 3.734 20 0 CHADMN C[C@@H]1CC[C@@H](NC(=O)c2ccc(O)c(Cl)c2)[C@H](C)C1 ZINC000070115747 1128559012 /nfs/dbraw/zinc/55/90/12/1128559012.db2.gz OYXPWZKDWZDAKL-GIPNMCIBSA-N 0 1 281.783 3.600 20 0 CHADMN Cc1ccc(CN[C@H]2c3ccccc3O[C@H]2C)cc1C ZINC000565268858 1128522860 /nfs/dbraw/zinc/52/28/60/1128522860.db2.gz QKDQLZSPHIOVBX-KBXCAEBGSA-N 0 1 267.372 3.915 20 0 CHADMN C[C@@H](N[C@H]1CO[C@H](C)C1)c1csc(-c2ccccc2)n1 ZINC000565303428 1128523891 /nfs/dbraw/zinc/52/38/91/1128523891.db2.gz OAGSYVUVQQEFBR-YRGRVCCFSA-N 0 1 288.416 3.638 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1cscn1 ZINC000565409122 1128526154 /nfs/dbraw/zinc/52/61/54/1128526154.db2.gz LYNLOOHZOBRAGC-WCFLWFBJSA-N 0 1 282.453 3.776 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000565721179 1128531047 /nfs/dbraw/zinc/53/10/47/1128531047.db2.gz MQRWXKXGRNOXSV-OAHLLOKOSA-N 0 1 275.392 3.582 20 0 CHADMN CC(C)(C)c1nc(CN[C@@H](CC2CC2)c2ccccc2)n[nH]1 ZINC000565870528 1128534558 /nfs/dbraw/zinc/53/45/58/1128534558.db2.gz VJOSEOGLFMHGSY-HNNXBMFYSA-N 0 1 298.434 3.733 20 0 CHADMN Cc1c(CN(C)[C@@H]2CCc3c2cccc3Cl)cnn1C ZINC000566049099 1128537326 /nfs/dbraw/zinc/53/73/26/1128537326.db2.gz GREWUYMSNBIIHB-MRXNPFEDSA-N 0 1 289.810 3.501 20 0 CHADMN CC[C@@H](Cc1ccccc1)c1nc([C@@H](N)CC(C)C)no1 ZINC000566216468 1128540125 /nfs/dbraw/zinc/54/01/25/1128540125.db2.gz ZOUICIIEWMWWRS-GJZGRUSLSA-N 0 1 287.407 3.852 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])c(Cl)c1 ZINC000566360636 1128542897 /nfs/dbraw/zinc/54/28/97/1128542897.db2.gz XIFYKGXYGJIJFF-AWEZNQCLSA-N 0 1 283.799 3.580 20 0 CHADMN O=C(OCc1cc2ccccc2o1)c1cccc2[nH]ncc21 ZINC000918500568 1128548394 /nfs/dbraw/zinc/54/83/94/1128548394.db2.gz HQIUVJNEGUAPOD-UHFFFAOYSA-N 0 1 292.294 3.666 20 0 CHADMN Cc1ncc([C@H](C)N2CC[C@H]2c2ccccc2)c(C)n1 ZINC000637813943 1129230987 /nfs/dbraw/zinc/23/09/87/1129230987.db2.gz UFGXZDQTNABDGM-GUYCJALGSA-N 0 1 267.376 3.601 20 0 CHADMN Cc1ccc(F)c(CN(C)Cc2ccc3c(c2)ncn3C)c1 ZINC000566776881 1128551177 /nfs/dbraw/zinc/55/11/77/1128551177.db2.gz RUMDCDOWNNHQJJ-UHFFFAOYSA-N 0 1 297.377 3.653 20 0 CHADMN CCOc1cc(CNCc2ccoc2)cc(Cl)c1OC ZINC000069833051 1128555206 /nfs/dbraw/zinc/55/52/06/1128555206.db2.gz YDLDJIXPSLLJKN-UHFFFAOYSA-N 0 1 295.766 3.630 20 0 CHADMN c1cc(CNCc2ccc(OCc3ccncc3)cc2)co1 ZINC000069833145 1128555302 /nfs/dbraw/zinc/55/53/02/1128555302.db2.gz MGUMVEBSRQSBHP-UHFFFAOYSA-N 0 1 294.354 3.543 20 0 CHADMN CCN(C(=O)c1cc(F)cc2[nH]cnc21)c1ccc(C)cc1 ZINC000918561530 1128557244 /nfs/dbraw/zinc/55/72/44/1128557244.db2.gz LENBLBYRURJWRA-UHFFFAOYSA-N 0 1 297.333 3.677 20 0 CHADMN CC(C)c1ccc(CN(C)Cc2ccncc2)cc1 ZINC000129841661 1128557347 /nfs/dbraw/zinc/55/73/47/1128557347.db2.gz XIKWYUFFSIWUAC-UHFFFAOYSA-N 0 1 254.377 3.837 20 0 CHADMN NC1(c2noc([C@H]3CCCC[C@@H]3C3CC3)n2)CCCCC1 ZINC000567351266 1128563226 /nfs/dbraw/zinc/56/32/26/1128563226.db2.gz CSHZSGGBMBRJND-KGLIPLIRSA-N 0 1 289.423 3.872 20 0 CHADMN CCc1ccc(N[C@@H](c2cccs2)c2nnc[nH]2)cc1C ZINC000567529207 1128566496 /nfs/dbraw/zinc/56/64/96/1128566496.db2.gz JIVBKBWOIJNEDI-HNNXBMFYSA-N 0 1 298.415 3.939 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000567595516 1128568097 /nfs/dbraw/zinc/56/80/97/1128568097.db2.gz KRKVIWNYBSUPAY-JGGQBBKZSA-N 0 1 293.382 3.647 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1ccc(Cl)cn1 ZINC000570002376 1128613402 /nfs/dbraw/zinc/61/34/02/1128613402.db2.gz VRPAHKLSYIFZJA-NSHDSACASA-N 0 1 275.783 3.543 20 0 CHADMN Cc1ncccc1CN(Cc1cccc(F)c1)C1CC1 ZINC000130155270 1128568637 /nfs/dbraw/zinc/56/86/37/1128568637.db2.gz CEDFSGQWODGEGW-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN CC(C)(C)C[C@H](NCc1cnccn1)c1ccc(F)cc1 ZINC000567703223 1128570168 /nfs/dbraw/zinc/57/01/68/1128570168.db2.gz OUVVQFBUGHEGOQ-INIZCTEOSA-N 0 1 287.382 3.883 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccccc1OC(F)F ZINC000556261477 1128570646 /nfs/dbraw/zinc/57/06/46/1128570646.db2.gz SQKUXPKPHZCSOI-ADEWGFFLSA-N 0 1 273.298 3.829 20 0 CHADMN CCc1ccc(CN(Cc2cnn(CC)c2)C2CC2)cc1 ZINC000130197498 1128572119 /nfs/dbraw/zinc/57/21/19/1128572119.db2.gz QYJOCRIWKHKWLR-UHFFFAOYSA-N 0 1 283.419 3.630 20 0 CHADMN Cc1ccc2c(Cc3nc([C@@H](N)CC(C)C)no3)coc2c1 ZINC000567852068 1128573061 /nfs/dbraw/zinc/57/30/61/1128573061.db2.gz LOOYNLRSVKFCRI-AWEZNQCLSA-N 0 1 299.374 3.761 20 0 CHADMN CC[C@@H]1CCCCCN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000556285614 1128574037 /nfs/dbraw/zinc/57/40/37/1128574037.db2.gz JMYQFTUVOYESLE-OAHLLOKOSA-N 0 1 297.402 3.872 20 0 CHADMN O=C([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000568060270 1128577343 /nfs/dbraw/zinc/57/73/43/1128577343.db2.gz YRLNBRIUKLFDNB-OAHLLOKOSA-N 0 1 293.794 3.803 20 0 CHADMN CC(C)(C)c1ccccc1NC(=O)c1ccc2cncn2c1 ZINC000556342952 1128580168 /nfs/dbraw/zinc/58/01/68/1128580168.db2.gz YAJDXHWJDDLQQZ-UHFFFAOYSA-N 0 1 293.370 3.884 20 0 CHADMN COCc1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000130456023 1128582363 /nfs/dbraw/zinc/58/23/63/1128582363.db2.gz JTQIGKZLYDZIPO-UHFFFAOYSA-N 0 1 291.341 3.743 20 0 CHADMN COCc1ccc(CN(C)Cc2ccc(F)c(F)c2)cc1 ZINC000130456023 1128582365 /nfs/dbraw/zinc/58/23/65/1128582365.db2.gz JTQIGKZLYDZIPO-UHFFFAOYSA-N 0 1 291.341 3.743 20 0 CHADMN CCC(C)(C)NC(=O)CN1CCCC[C@H]1c1ccccc1 ZINC000568939790 1128594616 /nfs/dbraw/zinc/59/46/16/1128594616.db2.gz PVQKJQMSRHEBSO-INIZCTEOSA-N 0 1 288.435 3.518 20 0 CHADMN CCOC(=O)[C@@H]1CCCN([C@@H](C)c2ccccc2Cl)C1 ZINC000071793795 1128598018 /nfs/dbraw/zinc/59/80/18/1128598018.db2.gz MKRBHLOIIRUZHP-QWHCGFSZSA-N 0 1 295.810 3.676 20 0 CHADMN COc1cccc(CN(C)Cc2cc(C)ccc2C)c1OC ZINC000556542301 1128601295 /nfs/dbraw/zinc/60/12/95/1128601295.db2.gz KGEPHXMURSJRQO-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN Cc1ccc(-c2cc(C(=O)OCCC(C)(C)C)[nH]n2)o1 ZINC000919328424 1128602260 /nfs/dbraw/zinc/60/22/60/1128602260.db2.gz OYDVKBWQAKWEDH-UHFFFAOYSA-N 0 1 276.336 3.571 20 0 CHADMN CCOc1cccc(CN(C)[C@@H](C)c2ccco2)c1 ZINC000131022842 1128603364 /nfs/dbraw/zinc/60/33/64/1128603364.db2.gz JBXPLSMBEFQHEQ-ZDUSSCGKSA-N 0 1 259.349 3.871 20 0 CHADMN CCC1(CC)CCC[N@H+]([C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000569856200 1128610593 /nfs/dbraw/zinc/61/05/93/1128610593.db2.gz HEJPFJBJKIWUJI-AWEZNQCLSA-N 0 1 269.429 3.778 20 0 CHADMN CCCC[C@H](C)[N@@H+](CCCC)Cc1nc(C2CC2)nn1C ZINC000569966208 1128612965 /nfs/dbraw/zinc/61/29/65/1128612965.db2.gz LAYLJOYGHBCHLO-AWEZNQCLSA-N 0 1 292.471 3.873 20 0 CHADMN CCCC[C@H](C)N(CCCC)Cc1nc(C2CC2)nn1C ZINC000569966208 1128612966 /nfs/dbraw/zinc/61/29/66/1128612966.db2.gz LAYLJOYGHBCHLO-AWEZNQCLSA-N 0 1 292.471 3.873 20 0 CHADMN Cc1ccccc1-c1nc(CNC2[C@@H](C)CCC[C@@H]2C)no1 ZINC000570435647 1128623457 /nfs/dbraw/zinc/62/34/57/1128623457.db2.gz ZLWVOZMOJPSPCS-KBPBESRZSA-N 0 1 299.418 3.959 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cnn(C)c1C ZINC000556796577 1128625194 /nfs/dbraw/zinc/62/51/94/1128625194.db2.gz RYHKITOCAQSJLG-MRXNPFEDSA-N 0 1 291.826 3.965 20 0 CHADMN COC[C@H](NCc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000571053101 1128636024 /nfs/dbraw/zinc/63/60/24/1128636024.db2.gz JNNATBCMHNXCOT-INIZCTEOSA-N 0 1 293.769 3.956 20 0 CHADMN Fc1ccc([C@H]2CSCC[N@H+]2[C@@H]2CCCSC2)cc1 ZINC001257677381 1128634219 /nfs/dbraw/zinc/63/42/19/1128634219.db2.gz XVSGFCHPTYQOIO-HUUCEWRRSA-N 0 1 297.464 3.811 20 0 CHADMN CCC[C@H](NCc1cccc(F)c1F)c1cccnc1 ZINC000631725767 1128634710 /nfs/dbraw/zinc/63/47/10/1128634710.db2.gz JJNUIWCSRNFNJW-HNNXBMFYSA-N 0 1 276.330 3.991 20 0 CHADMN Cc1cccc(CN2CC=C(C(F)(F)F)CC2)c1C ZINC000556894976 1128635286 /nfs/dbraw/zinc/63/52/86/1128635286.db2.gz CUFQLFFACMVVMU-UHFFFAOYSA-N 0 1 269.310 3.998 20 0 CHADMN C[C@@H]1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C[C@H]1C ZINC000131941903 1128640147 /nfs/dbraw/zinc/64/01/47/1128640147.db2.gz ROMVSRWGDYSQNU-CHWSQXEVSA-N 0 1 289.423 3.576 20 0 CHADMN C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCCCCC(=O)[O-])C1 ZINC000571931992 1128640445 /nfs/dbraw/zinc/64/04/45/1128640445.db2.gz YFXRGWDYCJCAGJ-CJNGLKHVSA-N 0 1 293.382 3.854 20 0 CHADMN C[C@H]1CCC[C@H](N(C)Cc2nc(C3CCCC3)no2)C1 ZINC000132344231 1128647639 /nfs/dbraw/zinc/64/76/39/1128647639.db2.gz XWEKFXBDPSNWGR-JSGCOSHPSA-N 0 1 277.412 3.738 20 0 CHADMN COc1ccc(-c2cnc(CN[C@H]3CCC3(C)C)o2)cc1 ZINC000572982511 1128649898 /nfs/dbraw/zinc/64/98/98/1128649898.db2.gz XVECIQCJGJJLIP-HNNXBMFYSA-N 0 1 286.375 3.628 20 0 CHADMN Cc1ccsc1C[N@H+](C)[C@H](C(=O)[O-])c1ccccc1C ZINC000572609292 1128645973 /nfs/dbraw/zinc/64/59/73/1128645973.db2.gz JSTRRHJLEWRYNZ-HNNXBMFYSA-N 0 1 289.400 3.623 20 0 CHADMN CCCN(C(=O)c1cc(C)[nH]n1)[C@@H](CC)c1ccccc1 ZINC000499125669 1128651093 /nfs/dbraw/zinc/65/10/93/1128651093.db2.gz BHFVQQODFQBWJU-INIZCTEOSA-N 0 1 285.391 3.722 20 0 CHADMN C/C(=C/c1ccccc1)CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000556967764 1128653749 /nfs/dbraw/zinc/65/37/49/1128653749.db2.gz QJQXQZDHQXEHED-QOZZVNKNSA-N 0 1 283.415 3.733 20 0 CHADMN CC(C)[C@H]1CCN(Cc2csc(-c3ccco3)n2)C1 ZINC000557009660 1128658466 /nfs/dbraw/zinc/65/84/66/1128658466.db2.gz XFCCIRAWLJJBLC-LBPRGKRZSA-N 0 1 276.405 3.881 20 0 CHADMN CCCCc1noc([C@@H](C)N(CC)CCCC)n1 ZINC000132675570 1128660890 /nfs/dbraw/zinc/66/08/90/1128660890.db2.gz ZPHYGZAJXWUUPH-GFCCVEGCSA-N 0 1 253.390 3.595 20 0 CHADMN CCCCc1noc([C@H](C)N(CC)CCCC)n1 ZINC000132675784 1128660953 /nfs/dbraw/zinc/66/09/53/1128660953.db2.gz ZPHYGZAJXWUUPH-LBPRGKRZSA-N 0 1 253.390 3.595 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCc1cccs1 ZINC000920114772 1128666469 /nfs/dbraw/zinc/66/64/69/1128666469.db2.gz JKQNJTVZRRPOCF-UHFFFAOYSA-N 0 1 298.367 3.804 20 0 CHADMN FC(F)Sc1ccc(CN2CC=CCC2)cc1 ZINC000778967354 1128673264 /nfs/dbraw/zinc/67/32/64/1128673264.db2.gz RNMSYMVXSDWNKJ-UHFFFAOYSA-N 0 1 255.333 3.763 20 0 CHADMN C/C(=C/C(=O)Nc1cccc2c1CN(CC(C)C)C2)C1CC1 ZINC000159129740 1128674923 /nfs/dbraw/zinc/67/49/23/1128674923.db2.gz GEMIPTRRXKQCQB-ZROIWOOFSA-N 0 1 298.430 3.953 20 0 CHADMN CC[C@@H]1CN(CCSc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000600700996 1128678471 /nfs/dbraw/zinc/67/84/71/1128678471.db2.gz QIYQNMHSVCBANB-GXTWGEPZSA-N 0 1 299.867 3.931 20 0 CHADMN CC[C@@H]1CN(CCOc2cccc3ccccc32)C[C@H](C)O1 ZINC000600701901 1128678686 /nfs/dbraw/zinc/67/86/86/1128678686.db2.gz GLTKYEXAHMJTKE-DOTOQJQBSA-N 0 1 299.414 3.718 20 0 CHADMN CC[C@H]1CN(CCOc2cccc3ccccc32)C[C@H](C)O1 ZINC000600701903 1128678937 /nfs/dbraw/zinc/67/89/37/1128678937.db2.gz GLTKYEXAHMJTKE-RDJZCZTQSA-N 0 1 299.414 3.718 20 0 CHADMN CSCc1cccc(-c2cccc([C@H]3COCCN3)c2)c1 ZINC000600779260 1128681129 /nfs/dbraw/zinc/68/11/29/1128681129.db2.gz SLLKRMQTUGYFGC-GOSISDBHSA-N 0 1 299.439 3.878 20 0 CHADMN Cc1oc([C@H](C)[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)cc1C(=O)[O-] ZINC000577878708 1128696188 /nfs/dbraw/zinc/69/61/88/1128696188.db2.gz SRNUXSCVNJSNNW-PRXAMGSTSA-N 0 1 291.391 3.859 20 0 CHADMN Clc1cccc(CNCc2cnn(C3CCC3)c2)c1 ZINC000921471880 1128710829 /nfs/dbraw/zinc/71/08/29/1128710829.db2.gz QNEPZRDLCMJVSG-UHFFFAOYSA-N 0 1 275.783 3.551 20 0 CHADMN Fc1cccc(CN2CC[C@@H]3CCC[C@@H]32)c1Br ZINC000378717001 1128715863 /nfs/dbraw/zinc/71/58/63/1128715863.db2.gz ALMRFYSZGNQATA-GWCFXTLKSA-N 0 1 298.199 3.963 20 0 CHADMN CCN(Cc1ccoc1)Cc1ccc(Cl)c(OC)c1 ZINC000649280580 1128722734 /nfs/dbraw/zinc/72/27/34/1128722734.db2.gz XJLMMQOYDYOGGL-UHFFFAOYSA-N 0 1 279.767 3.964 20 0 CHADMN CCN(Cc1ccc(Cl)nc1Cl)CC(C)C ZINC000233463263 1128723556 /nfs/dbraw/zinc/72/35/56/1128723556.db2.gz UJUDQBAAQRTWQG-UHFFFAOYSA-N 0 1 261.196 3.866 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2F)[C@H](C)O)c(C)s1 ZINC000578514223 1128720101 /nfs/dbraw/zinc/72/01/01/1128720101.db2.gz GIDXOELPTNFOOD-ZBEGNZNMSA-N 0 1 293.407 3.716 20 0 CHADMN Cc1cc([C@@H](C)NCc2cn(C)nc2C(F)F)ccc1F ZINC000274493732 1117744865 /nfs/dbraw/zinc/74/48/65/1117744865.db2.gz PVKOIVMAXNCHOD-SNVBAGLBSA-N 0 1 297.324 3.656 20 0 CHADMN C[C@H](NCc1cc2c(c(Cl)c1)OCO2)c1ccsc1 ZINC000061361105 1117746710 /nfs/dbraw/zinc/74/67/10/1117746710.db2.gz VBOSRUHLOURCSF-VIFPVBQESA-N 0 1 295.791 3.981 20 0 CHADMN C[C@@H](Cc1ccsc1)N1CCO[C@H](c2ccccc2)C1 ZINC000578932466 1128733195 /nfs/dbraw/zinc/73/31/95/1128733195.db2.gz PSTRDBWVVYECSO-YOEHRIQHSA-N 0 1 287.428 3.753 20 0 CHADMN CCc1ncc(CN[C@H](C)c2ccsc2)s1 ZINC000061361782 1117750019 /nfs/dbraw/zinc/75/00/19/1117750019.db2.gz WLRMTHKOEFPJAT-SECBINFHSA-N 0 1 252.408 3.618 20 0 CHADMN CSc1ccc(CN2C[C@@H](C)S[C@@H](C)C2)s1 ZINC000578944278 1128733384 /nfs/dbraw/zinc/73/33/84/1128733384.db2.gz YPIJBDMVENSQHO-AOOOYVTPSA-N 0 1 273.492 3.796 20 0 CHADMN C[C@@H](Cc1ccsc1)N1CCO[C@@H](c2ccccc2)C1 ZINC000578932464 1128733569 /nfs/dbraw/zinc/73/35/69/1128733569.db2.gz PSTRDBWVVYECSO-WMLDXEAASA-N 0 1 287.428 3.753 20 0 CHADMN Cc1[nH]ncc1CNc1cc(C)cc(C(F)(F)F)c1 ZINC000683079368 1117754127 /nfs/dbraw/zinc/75/41/27/1117754127.db2.gz WNHNXVZKRHNZRZ-UHFFFAOYSA-N 0 1 269.270 3.657 20 0 CHADMN CCN(CCO[C@@H]1CCCC[C@@H]1C)Cc1ccoc1 ZINC000261409274 1117756616 /nfs/dbraw/zinc/75/66/16/1117756616.db2.gz OORCMANSEQCHNT-GOEBONIOSA-N 0 1 265.397 3.697 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CC(C)(C)C[C@@H]3C)n[nH]2)cc1 ZINC000622709265 1117758230 /nfs/dbraw/zinc/75/82/30/1117758230.db2.gz CPYXGNKILHAFRE-ZDUSSCGKSA-N 0 1 297.402 3.646 20 0 CHADMN CCN(CC(=O)N1CC[C@@H](CC(C)(C)C)C1(C)C)C1CC1 ZINC000622709394 1117758440 /nfs/dbraw/zinc/75/84/40/1117758440.db2.gz GNDDUPXEVCIHQB-AWEZNQCLSA-N 0 1 294.483 3.534 20 0 CHADMN C[C@@H](CN1CCCC(F)(F)[C@@H](F)C1)c1ccccc1 ZINC001207903279 1117758872 /nfs/dbraw/zinc/75/88/72/1117758872.db2.gz FVWFYNBGMMDAJD-JSGCOSHPSA-N 0 1 271.326 3.859 20 0 CHADMN COc1cccc(CN[C@H](C)c2cc(C)ccc2OC)c1 ZINC000035015160 1117760645 /nfs/dbraw/zinc/76/06/45/1117760645.db2.gz UIMFYNPILUTTPJ-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN Cc1[nH]ncc1[C@H](C)Nc1ccc2scnc2c1 ZINC000683110175 1117770226 /nfs/dbraw/zinc/77/02/26/1117770226.db2.gz QPAJCDILTPWBMM-QMMMGPOBSA-N 0 1 258.350 3.501 20 0 CHADMN O=C(CNCc1cccs1)Nc1cccc2ccccc21 ZINC000072587746 1117771464 /nfs/dbraw/zinc/77/14/64/1117771464.db2.gz CVIVLKHKPBCVIN-UHFFFAOYSA-N 0 1 296.395 3.630 20 0 CHADMN Fc1c(Cl)cccc1-c1noc(-c2cc(Cl)[nH]n2)n1 ZINC001213501050 1117774963 /nfs/dbraw/zinc/77/49/63/1117774963.db2.gz ZAJVQUZFVISKJV-UHFFFAOYSA-N 0 1 299.092 3.573 20 0 CHADMN CC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2C)C1 ZINC001139887675 1117777440 /nfs/dbraw/zinc/77/74/40/1117777440.db2.gz XSYJXZPHNVZHPH-CYBMUJFWSA-N 0 1 299.336 3.815 20 0 CHADMN CC(=O)[C@@H]1CCCN(Cc2cc(C(F)(F)F)ccc2C)C1 ZINC001139887675 1117777443 /nfs/dbraw/zinc/77/74/43/1117777443.db2.gz XSYJXZPHNVZHPH-CYBMUJFWSA-N 0 1 299.336 3.815 20 0 CHADMN C[C@@H]1CN(CCCCCF)C[C@H](c2ccc(F)cc2)O1 ZINC000671241572 1117784106 /nfs/dbraw/zinc/78/41/06/1117784106.db2.gz SQTYSDKUOWQREU-CZUORRHYSA-N 0 1 283.362 3.727 20 0 CHADMN COCC(C)(C)[N@@H+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000430154302 1117786658 /nfs/dbraw/zinc/78/66/58/1117786658.db2.gz ZUSZNJVVGSEQOC-UHFFFAOYSA-N 0 1 289.375 3.929 20 0 CHADMN COCC(C)(C)N(C)Cc1ccc(Oc2ccccc2)o1 ZINC000430154302 1117786662 /nfs/dbraw/zinc/78/66/62/1117786662.db2.gz ZUSZNJVVGSEQOC-UHFFFAOYSA-N 0 1 289.375 3.929 20 0 CHADMN Cc1ccncc1CCC[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000430154371 1117786973 /nfs/dbraw/zinc/78/69/73/1117786973.db2.gz XBLDUNQZEHJXHA-MRXNPFEDSA-N 0 1 296.414 3.606 20 0 CHADMN CCc1noc(C)c1CNCc1ccc(Cl)c(C)c1 ZINC000339437627 1117788678 /nfs/dbraw/zinc/78/86/78/1117788678.db2.gz NTKKTYUYWBJIAS-UHFFFAOYSA-N 0 1 278.783 3.797 20 0 CHADMN CC[C@@H](NC[C@@H](OC)C1CCCCC1)c1nccs1 ZINC000660253272 1117788750 /nfs/dbraw/zinc/78/87/50/1117788750.db2.gz GSSIVZCIJQRTKR-ZIAGYGMSSA-N 0 1 282.453 3.779 20 0 CHADMN C[N@H+](Cc1ccccc1)Cc1cc(Cl)c([O-])cc1F ZINC001238142859 1117791082 /nfs/dbraw/zinc/79/10/82/1117791082.db2.gz IPELTWANRYVTDO-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN C[N@@H+](Cc1ccccc1)Cc1cc(Cl)c([O-])cc1F ZINC001238142859 1117791086 /nfs/dbraw/zinc/79/10/86/1117791086.db2.gz IPELTWANRYVTDO-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H]2C[C@H](OC(C)C)C2(C)C)s1 ZINC000185235449 1117794498 /nfs/dbraw/zinc/79/44/98/1117794498.db2.gz AQHRLERGANXLEA-XQQFMLRXSA-N 0 1 282.453 3.694 20 0 CHADMN O=[N+]([O-])c1ccc(CNCc2ccc(F)cc2)cc1Cl ZINC000185267460 1117801744 /nfs/dbraw/zinc/80/17/44/1117801744.db2.gz VXHUSULXUDARRX-UHFFFAOYSA-N 0 1 294.713 3.677 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC000062752753 1117803158 /nfs/dbraw/zinc/80/31/58/1117803158.db2.gz UJOSDJNLLMXJPM-LRDDRELGSA-N 0 1 291.366 3.679 20 0 CHADMN Cc1ccc2nc(S[C@@H]3CCCCCC3=O)[nH]c2c1 ZINC000029302082 1117803929 /nfs/dbraw/zinc/80/39/29/1117803929.db2.gz VKLXVYPIOMJUKL-CQSZACIVSA-N 0 1 274.389 3.865 20 0 CHADMN CN(C)c1ccc(CN2CCC[C@@H]2c2ccsc2)cn1 ZINC000153565611 1117805705 /nfs/dbraw/zinc/80/57/05/1117805705.db2.gz WBVNYJJPAAFPLC-OAHLLOKOSA-N 0 1 287.432 3.546 20 0 CHADMN C[C@H]1CC2(CCC2)C[N@H+]1CC[C@H](C(=O)[O-])c1ccccc1 ZINC000579016739 1128736384 /nfs/dbraw/zinc/73/63/84/1128736384.db2.gz ZHUHVEHUWPMDHL-HOCLYGCPSA-N 0 1 287.403 3.509 20 0 CHADMN Cc1nc2ccc(CN(C)Cc3ccc(C)cn3)cc2s1 ZINC000683163556 1117818687 /nfs/dbraw/zinc/81/86/87/1117818687.db2.gz AGAKKVMGDSCHLX-UHFFFAOYSA-N 0 1 297.427 3.940 20 0 CHADMN C[C@@H](NCc1ccc(F)cc1F)c1ccc2c(c1)OCO2 ZINC000035256628 1117822015 /nfs/dbraw/zinc/82/20/15/1117822015.db2.gz VCUXKVNNOJSCKO-SNVBAGLBSA-N 0 1 291.297 3.544 20 0 CHADMN CCCC1CCC(N(C)Cc2cn(C(C)C)nn2)CC1 ZINC000579040927 1128736978 /nfs/dbraw/zinc/73/69/78/1128736978.db2.gz AXUAGWXIDMBQGD-UHFFFAOYSA-N 0 1 278.444 3.650 20 0 CHADMN Cc1ccc(C[N@@H+](C)Cc2ccc(C(F)F)cc2)nc1 ZINC000684407698 1117823739 /nfs/dbraw/zinc/82/37/39/1117823739.db2.gz UNKRNFZIUFBQFV-UHFFFAOYSA-N 0 1 276.330 3.960 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(C(F)F)cc2)nc1 ZINC000684407698 1117823746 /nfs/dbraw/zinc/82/37/46/1117823746.db2.gz UNKRNFZIUFBQFV-UHFFFAOYSA-N 0 1 276.330 3.960 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N1CCc2n[nH]cc2C1 ZINC000623242149 1117824889 /nfs/dbraw/zinc/82/48/89/1117824889.db2.gz QNKAUURGNTYWEL-NWDGAFQWSA-N 0 1 289.810 3.613 20 0 CHADMN CC[C@H]1CCN1Cc1cn(C)nc1-c1ccccc1Cl ZINC000430190212 1117827381 /nfs/dbraw/zinc/82/73/81/1117827381.db2.gz GWEFWOJICHAUCE-ZDUSSCGKSA-N 0 1 289.810 3.725 20 0 CHADMN Cc1ccc(CNCc2ccc(F)c(F)c2N(C)C)s1 ZINC000623359899 1117840494 /nfs/dbraw/zinc/84/04/94/1117840494.db2.gz HZZLKYXTABXEDE-UHFFFAOYSA-N 0 1 296.386 3.691 20 0 CHADMN CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000072918629 1117842893 /nfs/dbraw/zinc/84/28/93/1117842893.db2.gz QGYCMAQXBCWGGD-TZMCWYRMSA-N 0 1 270.376 3.561 20 0 CHADMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000072918629 1117842899 /nfs/dbraw/zinc/84/28/99/1117842899.db2.gz QGYCMAQXBCWGGD-TZMCWYRMSA-N 0 1 270.376 3.561 20 0 CHADMN CCCn1ccc2cc(NC(=O)c3cn[nH]c3CC)ccc21 ZINC000623375759 1117844594 /nfs/dbraw/zinc/84/45/94/1117844594.db2.gz OKPCXJGXPXNCJM-UHFFFAOYSA-N 0 1 296.374 3.589 20 0 CHADMN Cc1ccoc1CN[C@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000072923453 1117845023 /nfs/dbraw/zinc/84/50/23/1117845023.db2.gz OAPCZPQSGQZMQD-MEBBXXQBSA-N 0 1 297.757 3.592 20 0 CHADMN CSC[C@H]1CCCN(Cc2ccsc2Cl)C1 ZINC000430197480 1117847502 /nfs/dbraw/zinc/84/75/02/1117847502.db2.gz OKSCWYAFSXBVTH-JTQLQIEISA-N 0 1 275.870 3.977 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccncc1Cl)CC2 ZINC000623408387 1117850749 /nfs/dbraw/zinc/85/07/49/1117850749.db2.gz UMBJKIZCMUXSPK-INIZCTEOSA-N 0 1 272.779 3.821 20 0 CHADMN CC[C@@H](CN[C@H](C)c1nc(C(C)(C)C)no1)CC(F)F ZINC000660271442 1117850890 /nfs/dbraw/zinc/85/08/90/1117850890.db2.gz DWGJKLGCODOYRP-NXEZZACHSA-N 0 1 289.370 3.699 20 0 CHADMN CC(C)c1cnc(CNc2cc3c(cn2)CCC3)s1 ZINC000339556811 1117854048 /nfs/dbraw/zinc/85/40/48/1117854048.db2.gz OXMGGUULHNCKOB-UHFFFAOYSA-N 0 1 273.405 3.762 20 0 CHADMN C[C@@H]1C[C@@H](NCc2c(F)ccc(F)c2Cl)CS1 ZINC000623549530 1117869872 /nfs/dbraw/zinc/86/98/72/1117869872.db2.gz FEOQOMYEPGQDMS-HTQZYQBOSA-N 0 1 277.767 3.602 20 0 CHADMN CCC(F)(F)C(C)(C)CN[C@H](C)c1cc(C)on1 ZINC000623515973 1117866285 /nfs/dbraw/zinc/86/62/85/1117866285.db2.gz YHKLYSHGKHHJOE-SNVBAGLBSA-N 0 1 260.328 3.705 20 0 CHADMN C[C@H](Cc1ccccn1)NCc1c(F)ccc(F)c1Cl ZINC000623561537 1117872421 /nfs/dbraw/zinc/87/24/21/1117872421.db2.gz QJOGQNBEPSIIRD-SNVBAGLBSA-N 0 1 296.748 3.734 20 0 CHADMN COc1ccsc1CN(C)Cc1ccc(F)c(C)c1 ZINC000579195479 1128741092 /nfs/dbraw/zinc/74/10/92/1128741092.db2.gz NXJUFEFDBQNZFG-UHFFFAOYSA-N 0 1 279.380 3.836 20 0 CHADMN Cc1cc2ncnc(-c3cc(F)c(O)cc3F)c2cc1C ZINC001206775825 1117880112 /nfs/dbraw/zinc/88/01/12/1117880112.db2.gz NAAOETVIUCGULV-UHFFFAOYSA-N 0 1 286.281 3.897 20 0 CHADMN CC[C@@H](NCc1cc[nH]n1)c1ccc2cc(OC)ccc2c1 ZINC000177956025 1117881887 /nfs/dbraw/zinc/88/18/87/1117881887.db2.gz ZAQZQHXIMXOZJV-GOSISDBHSA-N 0 1 295.386 3.812 20 0 CHADMN Cc1cccc(C(=O)Nc2cccc(Cl)c2O)c1F ZINC000177999851 1117884056 /nfs/dbraw/zinc/88/40/56/1117884056.db2.gz CZZRVPHGWCCSDA-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN CC[C@H]1CCC[C@@H](CNCc2ncn(-c3ccccc3)n2)C1 ZINC000339577133 1117885709 /nfs/dbraw/zinc/88/57/09/1117885709.db2.gz DKOCRAVJQCABRX-JKSUJKDBSA-N 0 1 298.434 3.573 20 0 CHADMN CC[C@H]1CCC[C@H](CNCc2ncn(-c3ccccc3)n2)C1 ZINC000339577129 1117885806 /nfs/dbraw/zinc/88/58/06/1117885806.db2.gz DKOCRAVJQCABRX-HOTGVXAUSA-N 0 1 298.434 3.573 20 0 CHADMN CC[C@@H]1CCC[C@H](CNCc2ncn(-c3ccccc3)n2)C1 ZINC000339577128 1117886353 /nfs/dbraw/zinc/88/63/53/1117886353.db2.gz DKOCRAVJQCABRX-CVEARBPZSA-N 0 1 298.434 3.573 20 0 CHADMN CCCOc1ccc(CN[C@H](C)c2ccoc2)cc1 ZINC000178160509 1117888134 /nfs/dbraw/zinc/88/81/34/1117888134.db2.gz YVWYKUKMNREMNX-CYBMUJFWSA-N 0 1 259.349 3.919 20 0 CHADMN CCCC1CCC(NCc2ncn(-c3ccccc3)n2)CC1 ZINC000339584934 1117888389 /nfs/dbraw/zinc/88/83/89/1117888389.db2.gz ODTODQUMASJDKJ-UHFFFAOYSA-N 0 1 298.434 3.716 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(-c3ccsc3)cc2)CCO1 ZINC000339587579 1117892178 /nfs/dbraw/zinc/89/21/78/1117892178.db2.gz NLAUEZIOOVLDPY-ZDUSSCGKSA-N 0 1 273.401 3.636 20 0 CHADMN C[C@H]1CN(Cc2ccc(-c3ccsc3)cc2)CCO1 ZINC000339587579 1117892184 /nfs/dbraw/zinc/89/21/84/1117892184.db2.gz NLAUEZIOOVLDPY-ZDUSSCGKSA-N 0 1 273.401 3.636 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@@H](C)c1ccoc1 ZINC000178468488 1117893046 /nfs/dbraw/zinc/89/30/46/1117893046.db2.gz GKZGDKQZBFGBRC-XHDPSFHLSA-N 0 1 257.333 3.626 20 0 CHADMN CC[C@@H]1CCC[C@@H]1C(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000615281172 1128742409 /nfs/dbraw/zinc/74/24/09/1128742409.db2.gz MMPHRLYVIVEWFJ-YPMHNXCESA-N 0 1 299.374 3.547 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2ccc(Cl)cn2)c1 ZINC000683224077 1117897092 /nfs/dbraw/zinc/89/70/92/1117897092.db2.gz STSPQVXUOVANAI-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000615281225 1128742544 /nfs/dbraw/zinc/74/25/44/1128742544.db2.gz NUQJLYVQQFHITQ-YPMHNXCESA-N 0 1 299.374 3.547 20 0 CHADMN Clc1ccc(CNCc2nccc3c2CCCC3)s1 ZINC000921500549 1117900769 /nfs/dbraw/zinc/90/07/69/1117900769.db2.gz FFAZBEWZKWPUKI-UHFFFAOYSA-N 0 1 292.835 3.965 20 0 CHADMN COc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C)cc1Cl ZINC001138473801 1128742762 /nfs/dbraw/zinc/74/27/62/1128742762.db2.gz CABRPKAELNLHJY-VXGBXAGGSA-N 0 1 267.800 3.969 20 0 CHADMN C[C@@H]1CCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)[C@H]1C ZINC000179548951 1117907887 /nfs/dbraw/zinc/90/78/87/1117907887.db2.gz ADCWDXWGVCTGSG-OLZOCXBDSA-N 0 1 289.423 3.718 20 0 CHADMN CC1(C)CCCN(Cc2cccc3c2OC(F)(F)O3)C1 ZINC001307682976 1117907929 /nfs/dbraw/zinc/90/79/29/1117907929.db2.gz GYUNAWNRGTUWTD-UHFFFAOYSA-N 0 1 283.318 3.630 20 0 CHADMN C/C=C/CNCc1csc(-c2ccsc2)n1 ZINC000623739261 1117909050 /nfs/dbraw/zinc/90/90/50/1117909050.db2.gz ORYWOVXQJYANQI-NSCUHMNNSA-N 0 1 250.392 3.537 20 0 CHADMN CC[C@@H]1c2ccsc2CCN1Cc1cccc2nccn21 ZINC000179761115 1117913348 /nfs/dbraw/zinc/91/33/48/1117913348.db2.gz NFLNBINLMPUBAR-OAHLLOKOSA-N 0 1 297.427 3.905 20 0 CHADMN Clc1ccc2c(c1)[C@@H](NCc1ccccn1)CCC2 ZINC000623751234 1117918415 /nfs/dbraw/zinc/91/84/15/1117918415.db2.gz ORELDDAZAOWRKS-INIZCTEOSA-N 0 1 272.779 3.902 20 0 CHADMN C[C@H](NC/C=C/Cl)c1ccc(F)c(Br)c1 ZINC000382185889 1117918539 /nfs/dbraw/zinc/91/85/39/1117918539.db2.gz AZXVTIGFCORSJT-NCJLJLRUSA-N 0 1 292.579 3.991 20 0 CHADMN CCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000533397671 1117919381 /nfs/dbraw/zinc/91/93/81/1117919381.db2.gz AHCODAQHPPJRIV-GJZGRUSLSA-N 0 1 298.430 3.747 20 0 CHADMN Clc1oc2ccccc2c1CN[C@H]1CO[C@H](C2CC2)C1 ZINC000623753708 1117919431 /nfs/dbraw/zinc/91/94/31/1117919431.db2.gz CNDGMVLMYSERMN-ABAIWWIYSA-N 0 1 291.778 3.743 20 0 CHADMN c1cc(Oc2ccccc2)oc1CN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000623753938 1117920927 /nfs/dbraw/zinc/92/09/27/1117920927.db2.gz GKEVCIBLJUBQOF-WMLDXEAASA-N 0 1 299.370 3.729 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(C)c(Cl)cn1 ZINC001238424202 1117925751 /nfs/dbraw/zinc/92/57/51/1117925751.db2.gz WRQOJYXBNGSWNQ-ZDUSSCGKSA-N 0 1 252.789 3.808 20 0 CHADMN C[C@@H]1CC/C(=C/c2nc(-c3ccn4cncc4c3)no2)C1 ZINC000351071153 1117925644 /nfs/dbraw/zinc/92/56/44/1117925644.db2.gz DARWFRRAXPWATH-HBZGRHIISA-N 0 1 280.331 3.588 20 0 CHADMN C[C@]1(F)CCN(CCc2ccc(Cl)cc2)C[C@@H]1F ZINC001208736358 1117927411 /nfs/dbraw/zinc/92/74/11/1117927411.db2.gz CQFGOOQZAAROHT-KBPBESRZSA-N 0 1 273.754 3.655 20 0 CHADMN CN(Cc1cc2ccccc2o1)Cc1cccc2nccn21 ZINC000180482745 1117931489 /nfs/dbraw/zinc/93/14/89/1117931489.db2.gz ZJXBMYLZBXEUMR-UHFFFAOYSA-N 0 1 291.354 3.713 20 0 CHADMN COc1cc(CN[C@H](c2ccc(C)cc2)C2CC2)sn1 ZINC000399116333 1117935998 /nfs/dbraw/zinc/93/59/98/1117935998.db2.gz MVUXLFAJDWWDLQ-MRXNPFEDSA-N 0 1 288.416 3.701 20 0 CHADMN FC1(F)CCC[C@H](CN2CCCC[C@H]2c2cc[nH]n2)C1 ZINC000510124603 1117938634 /nfs/dbraw/zinc/93/86/34/1117938634.db2.gz RJKIQRDDRHQNEU-JSGCOSHPSA-N 0 1 283.366 3.762 20 0 CHADMN Cc1ccc([C@@H](C)NC(=O)c2c(C)n[nH]c2C(C)C)s1 ZINC000763983995 1117939475 /nfs/dbraw/zinc/93/94/75/1117939475.db2.gz ROZKZOOYZSQHEK-SNVBAGLBSA-N 0 1 291.420 3.702 20 0 CHADMN Cc1cnn(C)c1CN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000352737280 1117941168 /nfs/dbraw/zinc/94/11/68/1117941168.db2.gz KGBSCUJLVNUITK-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N1CCC[C@H]1CC1CCCC1 ZINC000655367247 1117943401 /nfs/dbraw/zinc/94/34/01/1117943401.db2.gz YKAHSSSSUINFIE-AWEZNQCLSA-N 0 1 297.402 3.748 20 0 CHADMN F[C@@H]1CSC2(CN(CCCc3ccccc3Cl)C2)C1 ZINC001208875545 1117944518 /nfs/dbraw/zinc/94/45/18/1117944518.db2.gz YGZCSQNKHKFXLC-ZDUSSCGKSA-N 0 1 299.842 3.802 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000615350159 1128745703 /nfs/dbraw/zinc/74/57/03/1128745703.db2.gz PUXKAEFXCWEFKC-UHFFFAOYSA-N 0 1 297.280 3.552 20 0 CHADMN Cc1nc(C)c([C@H](C)N(C)Cc2ccncc2C)s1 ZINC000294827861 1117946622 /nfs/dbraw/zinc/94/66/22/1117946622.db2.gz NFPCDHISQUIFBO-LBPRGKRZSA-N 0 1 275.421 3.656 20 0 CHADMN CO[C@H]1CCN(Cc2cc(Cl)cs2)CC1(C)C ZINC000294990244 1117982525 /nfs/dbraw/zinc/98/25/25/1117982525.db2.gz KPDODKZQAQAEIV-LBPRGKRZSA-N 0 1 273.829 3.648 20 0 CHADMN c1nc2c(s1)CCC[C@@H]2NCCCOc1ccccc1 ZINC000623855137 1117947311 /nfs/dbraw/zinc/94/73/11/1117947311.db2.gz QRLQFDKBPLIZKA-AWEZNQCLSA-N 0 1 288.416 3.579 20 0 CHADMN CCCC[C@@H](C)N(CCCC)Cc1nnc(C2CC2)[nH]1 ZINC000339651786 1117947645 /nfs/dbraw/zinc/94/76/45/1117947645.db2.gz YKTCYUKAFRSTSY-CYBMUJFWSA-N 0 1 278.444 3.863 20 0 CHADMN Cc1csc([C@H](C)N[C@H](C)COc2cccc(C)c2)n1 ZINC000623870554 1117949241 /nfs/dbraw/zinc/94/92/41/1117949241.db2.gz DZSHFQZFVZFELN-OCCSQVGLSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1csc([C@@H](C)N[C@@H](C)COc2cccc(C)c2)n1 ZINC000623870552 1117949383 /nfs/dbraw/zinc/94/93/83/1117949383.db2.gz DZSHFQZFVZFELN-GXTWGEPZSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1csc([C@@H](C)NC[C@H](C)Oc2ccccc2F)n1 ZINC000623899656 1117950589 /nfs/dbraw/zinc/95/05/89/1117950589.db2.gz OUKVAPNIIYLGRF-NWDGAFQWSA-N 0 1 294.395 3.709 20 0 CHADMN c1cn(Cc2ccccc2)c(CN2CC[C@H](CC3CC3)C2)n1 ZINC000339686045 1117953915 /nfs/dbraw/zinc/95/39/15/1117953915.db2.gz KYCUWRHESQYGBR-GOSISDBHSA-N 0 1 295.430 3.553 20 0 CHADMN CC(C)[C@]1(CO)CCCN(Cc2cccc(F)c2Cl)C1 ZINC000339705118 1117962047 /nfs/dbraw/zinc/96/20/47/1117962047.db2.gz ZIKKGLWUOZDKMH-MRXNPFEDSA-N 0 1 299.817 3.710 20 0 CHADMN CC(C)C[C@@H]1OCCC[C@@H]1N[C@@H]1CCCc2scnc21 ZINC000623964055 1117963045 /nfs/dbraw/zinc/96/30/45/1117963045.db2.gz YBHKANYTXBSCPO-MJBXVCDLSA-N 0 1 294.464 3.704 20 0 CHADMN CCO[C@H](CN[C@@H](C)c1nc(C)cs1)c1ccccc1 ZINC000623971769 1117964430 /nfs/dbraw/zinc/96/44/30/1117964430.db2.gz GUILVEOJQLQWPN-DZGCQCFKSA-N 0 1 290.432 3.880 20 0 CHADMN C[C@@H](Nc1ccc(Cl)c(CN(C)C)c1)[C@H]1CCCCO1 ZINC000623978107 1117965040 /nfs/dbraw/zinc/96/50/40/1117965040.db2.gz JUMGLLBWSVUCCR-MLGOLLRUSA-N 0 1 296.842 3.771 20 0 CHADMN Cc1ccccc1OCCCN1CCn2cccc2[C@@H]1C ZINC000109316720 1117968308 /nfs/dbraw/zinc/96/83/08/1117968308.db2.gz BVPLRSSQSMEXJU-INIZCTEOSA-N 0 1 284.403 3.642 20 0 CHADMN COC[C@@H](CC(C)(C)C)N[C@@H]1CCCc2scnc21 ZINC000624009035 1117969500 /nfs/dbraw/zinc/96/95/00/1117969500.db2.gz NRFRTANFYOPOAG-VXGBXAGGSA-N 0 1 282.453 3.561 20 0 CHADMN c1nc2c(s1)CCC[C@H]2NC[C@H]1CCC2(CCCC2)O1 ZINC000624010027 1117969852 /nfs/dbraw/zinc/96/98/52/1117969852.db2.gz GIUUXMQITZYUHE-CHWSQXEVSA-N 0 1 292.448 3.602 20 0 CHADMN Cc1ccc(CN2CCCC[C@@H]2c2cc[nH]n2)cc1C ZINC000510136224 1117972587 /nfs/dbraw/zinc/97/25/87/1117972587.db2.gz VQAWARDTQQYKJA-QGZVFWFLSA-N 0 1 269.392 3.754 20 0 CHADMN C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H](O)CC1 ZINC000339787456 1117974431 /nfs/dbraw/zinc/97/44/31/1117974431.db2.gz ORGHYDQRAVAKGX-PWSUYJOCSA-N 0 1 288.218 3.901 20 0 CHADMN Fc1cccc2c1CCN(Cc1cccc3cccnc31)C2 ZINC000339784730 1117974152 /nfs/dbraw/zinc/97/41/52/1117974152.db2.gz YBUZXIBOALHIFE-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN CC[C@H](C)c1ccc([C@H](C)NCc2cnnn2CC)cc1 ZINC000624025699 1117974587 /nfs/dbraw/zinc/97/45/87/1117974587.db2.gz JVCHLTISXLRZEX-KBPBESRZSA-N 0 1 286.423 3.662 20 0 CHADMN FC(F)(F)CCCCN1CCOC[C@@H]1CC1CCC1 ZINC000339776809 1117975912 /nfs/dbraw/zinc/97/59/12/1117975912.db2.gz MPMVCURIIWQONM-ZDUSSCGKSA-N 0 1 279.346 3.610 20 0 CHADMN CCC[C@@H](CN[C@H](c1ccccc1)c1ccccn1)OCC ZINC000624050135 1117976111 /nfs/dbraw/zinc/97/61/11/1117976111.db2.gz ZMOVBFXBUBHAPK-PKOBYXMFSA-N 0 1 298.430 3.966 20 0 CHADMN CC[C@@H](NCc1c(C(F)(F)F)cnn1C)c1ccccc1 ZINC000624051657 1117976514 /nfs/dbraw/zinc/97/65/14/1117976514.db2.gz JHLWBIFWUAPONE-CYBMUJFWSA-N 0 1 297.324 3.680 20 0 CHADMN C[C@@H](N[C@@H]1[C@@H](c2ccccc2)C1(C)C)c1nccs1 ZINC000624068116 1117978453 /nfs/dbraw/zinc/97/84/53/1117978453.db2.gz LKYYCQZMHUBSTA-MRVWCRGKSA-N 0 1 272.417 3.986 20 0 CHADMN CSc1ccccc1[C@H]1CCCN1Cc1ccnnc1 ZINC001139985796 1117986982 /nfs/dbraw/zinc/98/69/82/1117986982.db2.gz YBCJGKVNIFELSW-OAHLLOKOSA-N 0 1 285.416 3.536 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@H+]([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000232791962 1117988206 /nfs/dbraw/zinc/98/82/06/1117988206.db2.gz SJIZJNPZJQUNEX-BLLLJJGKSA-N 0 1 295.810 3.834 20 0 CHADMN CCC(F)(F)CN[C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000624148686 1117990213 /nfs/dbraw/zinc/99/02/13/1117990213.db2.gz LEYSMWOSPFHNTM-XBFCOCLRSA-N 0 1 253.336 3.814 20 0 CHADMN C=C(Cl)CN1CCC(c2ccc(OC)cc2)CC1 ZINC000074992486 1117990675 /nfs/dbraw/zinc/99/06/75/1117990675.db2.gz RUIBQNPLXKDKCS-UHFFFAOYSA-N 0 1 265.784 3.627 20 0 CHADMN O=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)C1CC1 ZINC000047408065 1117996249 /nfs/dbraw/zinc/99/62/49/1117996249.db2.gz MTPZZQYURYAIJH-UHFFFAOYSA-N 0 1 295.317 3.718 20 0 CHADMN CCc1nn(C)c(CC)c1CN[C@H](C)c1cc(C)oc1C ZINC000181299291 1117997129 /nfs/dbraw/zinc/99/71/29/1117997129.db2.gz NCXBJKVEXAPDRM-GFCCVEGCSA-N 0 1 289.423 3.606 20 0 CHADMN Cc1nccnc1CN[C@@H](c1ccccc1)C(C)(C)C ZINC000621328203 1118001350 /nfs/dbraw/zinc/00/13/50/1118001350.db2.gz KNESNCNTYSSNEI-INIZCTEOSA-N 0 1 269.392 3.662 20 0 CHADMN CCc1nc(CSc2ccc3ccccc3c2)n[nH]1 ZINC000181707925 1118004632 /nfs/dbraw/zinc/00/46/32/1118004632.db2.gz MNWBONLFORVHAJ-UHFFFAOYSA-N 0 1 269.373 3.813 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CC[C@@]2(CC2(F)F)C1 ZINC000649903573 1118012225 /nfs/dbraw/zinc/01/22/25/1118012225.db2.gz QLXQDZRMKREWRF-TVQRCGJNSA-N 0 1 273.273 3.757 20 0 CHADMN CC[C@H]1CO[C@](C)(CCC(C)C)N1CCCCOC ZINC001209218843 1118016476 /nfs/dbraw/zinc/01/64/76/1118016476.db2.gz PZQXNYGJKAKSOY-JKSUJKDBSA-N 0 1 271.445 3.676 20 0 CHADMN CC[C@@H](NCc1ccccc1N(C)C)c1c(C)noc1C ZINC000182407574 1118021863 /nfs/dbraw/zinc/02/18/63/1118021863.db2.gz CHJGRJBEFKMXPR-OAHLLOKOSA-N 0 1 287.407 3.598 20 0 CHADMN Fc1ccc(CN2CC[C@H](COCC3CC3)C2)c(Cl)c1 ZINC001204438678 1118031270 /nfs/dbraw/zinc/03/12/70/1118031270.db2.gz IEMHLDJRANTGDB-ZDUSSCGKSA-N 0 1 297.801 3.728 20 0 CHADMN C[C@H]1CCCC[C@H]1CN(C)Cc1nccn1C(F)F ZINC000182993833 1118034677 /nfs/dbraw/zinc/03/46/77/1118034677.db2.gz JMUSINNEBWUWFI-RYUDHWBXSA-N 0 1 271.355 3.536 20 0 CHADMN CCOc1ccccc1CN[C@@H](C)c1cccc(OC)c1 ZINC000037771356 1118037246 /nfs/dbraw/zinc/03/72/46/1118037246.db2.gz VCLOPIMRLNMAIU-AWEZNQCLSA-N 0 1 285.387 3.945 20 0 CHADMN CCCCCN(Cc1nc(CCCC)no1)C(C)C ZINC000047627999 1118042641 /nfs/dbraw/zinc/04/26/41/1118042641.db2.gz NFLLJMBUBMUNQI-UHFFFAOYSA-N 0 1 267.417 3.813 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H](C)c2ccccc21)c1nccn1C ZINC000183384790 1118044205 /nfs/dbraw/zinc/04/42/05/1118044205.db2.gz QXIDWWMRZFXYEN-DVOMOZLQSA-N 0 1 269.392 3.709 20 0 CHADMN C[C@H](c1ccccn1)N(C)C/C=C/c1ccccc1 ZINC000183677315 1118046987 /nfs/dbraw/zinc/04/69/87/1118046987.db2.gz DVUWPSDLHXNVRW-KUCQQTCKSA-N 0 1 252.361 3.788 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)c1cc(OC)ccn1 ZINC001167129435 1118047575 /nfs/dbraw/zinc/04/75/75/1118047575.db2.gz LHXDIGSTQZVSQZ-HNNXBMFYSA-N 0 1 256.349 3.678 20 0 CHADMN C[C@H](c1ccncc1)N(C)Cc1cccc2c1OC(C)(C)C2 ZINC000183709766 1118048449 /nfs/dbraw/zinc/04/84/49/1118048449.db2.gz LKZWQSYKGMUFGI-CQSZACIVSA-N 0 1 296.414 3.988 20 0 CHADMN CN(Cc1ccncc1)Cc1cc(Cl)cc2cccnc21 ZINC000183738953 1118048468 /nfs/dbraw/zinc/04/84/68/1118048468.db2.gz YERWQKBMSOBVDV-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN C[C@@H](O)CC(C)(C)CN[C@H](c1ccco1)c1ccccc1 ZINC000183778864 1118048892 /nfs/dbraw/zinc/04/88/92/1118048892.db2.gz MNJKRRDKHSWTSD-PBHICJAKSA-N 0 1 287.403 3.756 20 0 CHADMN CC(C)CC[C@](C)(O)CNCc1ncc(C(C)C)s1 ZINC000183809017 1118049582 /nfs/dbraw/zinc/04/95/82/1118049582.db2.gz FYVLYBFABWBNFW-HNNXBMFYSA-N 0 1 284.469 3.543 20 0 CHADMN C[C@H](NC[C@H]1CCCCO1)c1nc(C(C)(C)C)cs1 ZINC000184459438 1118054685 /nfs/dbraw/zinc/05/46/85/1118054685.db2.gz ZDJAFXQNRBBPOC-NWDGAFQWSA-N 0 1 282.453 3.660 20 0 CHADMN CCCC[C@H](N[C@@H](C)c1nc(C2CC2)no1)C1CCC1 ZINC000184868540 1118058645 /nfs/dbraw/zinc/05/86/45/1118058645.db2.gz PGKRNEVUXQJNCL-FZMZJTMJSA-N 0 1 277.412 3.957 20 0 CHADMN Cc1cnc(CN[C@H](C)[C@H](C)C2CCCCC2)o1 ZINC000185527982 1118062658 /nfs/dbraw/zinc/06/26/58/1118062658.db2.gz FNWHMQUMDLFMIB-QWHCGFSZSA-N 0 1 250.386 3.678 20 0 CHADMN CCc1ccc(CNCc2ccccc2-c2cnn(C)c2)o1 ZINC000340107604 1118067523 /nfs/dbraw/zinc/06/75/23/1118067523.db2.gz ZCVDLHBJMVPVDY-UHFFFAOYSA-N 0 1 295.386 3.532 20 0 CHADMN CO[C@H]1CCCN(Cc2ccc(C(F)(F)F)s2)CC1 ZINC000683355584 1118067908 /nfs/dbraw/zinc/06/79/08/1118067908.db2.gz ZZTFHEKCYWYKHH-JTQLQIEISA-N 0 1 293.354 3.768 20 0 CHADMN CCOC(=O)[C@H]1CCCN([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000072014072 1118070671 /nfs/dbraw/zinc/07/06/71/1118070671.db2.gz WHCSWXWWSPUSFH-JSGCOSHPSA-N 0 1 295.810 3.676 20 0 CHADMN CC(C)CCN(CCC(C)C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000654454623 1118071581 /nfs/dbraw/zinc/07/15/81/1118071581.db2.gz ADZFHHKAPJMSRK-HNNXBMFYSA-N 0 1 293.455 3.509 20 0 CHADMN c1cc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)co1 ZINC000093843037 1118071917 /nfs/dbraw/zinc/07/19/17/1118071917.db2.gz QRCKYCJDYZUZQZ-GOSISDBHSA-N 0 1 285.387 3.503 20 0 CHADMN c1cc(CN2CC[C@@H](OCCCc3ccccc3)C2)co1 ZINC000093843037 1118071922 /nfs/dbraw/zinc/07/19/22/1118071922.db2.gz QRCKYCJDYZUZQZ-GOSISDBHSA-N 0 1 285.387 3.503 20 0 CHADMN FC(F)(F)c1ccc2nc(-c3ccncc3)[nH]c2c1 ZINC000075934906 1118072355 /nfs/dbraw/zinc/07/23/55/1118072355.db2.gz ZTEHJXPKNXZVLD-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN CC1(C)CCC(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])CC1 ZINC000380528312 1118072379 /nfs/dbraw/zinc/07/23/79/1118072379.db2.gz KEDWFYGSQZVEPQ-OAHLLOKOSA-N 0 1 281.440 3.922 20 0 CHADMN c1nc(CN(CC2CCCCC2)C2CC2)cs1 ZINC000193983519 1118073144 /nfs/dbraw/zinc/07/31/44/1118073144.db2.gz GUGIGEMGRRFCAF-UHFFFAOYSA-N 0 1 250.411 3.688 20 0 CHADMN [O-]c1c(Cl)cccc1C[N@@H+](C1CC1)C1CCCC1 ZINC000179679606 1128754354 /nfs/dbraw/zinc/75/43/54/1128754354.db2.gz NHMHSEUHFGLAEJ-UHFFFAOYSA-N 0 1 265.784 3.953 20 0 CHADMN CO[C@H]1CCN(Cc2c(C)cc(F)cc2Cl)[C@@H](C)C1 ZINC001238787628 1118083260 /nfs/dbraw/zinc/08/32/60/1118083260.db2.gz MVPXFJSWAFGCPB-AAEUAGOBSA-N 0 1 285.790 3.787 20 0 CHADMN O=C(CCN1CCC2(CC2(F)F)CC1)c1ccc(F)cc1 ZINC000404771089 1118092458 /nfs/dbraw/zinc/09/24/58/1118092458.db2.gz JKKGACUIFIDBDA-UHFFFAOYSA-N 0 1 297.320 3.520 20 0 CHADMN CCC(CC)C[N@@H+](CC)CCOc1cccc(C(=O)[O-])c1 ZINC000048970686 1118092539 /nfs/dbraw/zinc/09/25/39/1118092539.db2.gz KWNSUDIISVOWOF-UHFFFAOYSA-N 0 1 293.407 3.522 20 0 CHADMN C[C@@H](N[C@H]1CCc2c1cc(F)cc2F)c1ccccn1 ZINC000120937827 1118105530 /nfs/dbraw/zinc/10/55/30/1118105530.db2.gz WFHGKLNBWGBMAS-HWPZZCPQSA-N 0 1 274.314 3.698 20 0 CHADMN CCC[C@H]1CCCN(Cc2noc3c2CCCC3)C1 ZINC000120970706 1118109577 /nfs/dbraw/zinc/10/95/77/1118109577.db2.gz ZVMWFMMHSYXSPI-ZDUSSCGKSA-N 0 1 262.397 3.566 20 0 CHADMN Cc1cc(CN2CCC[C@@H](C)CC2)cnc1Br ZINC001167258472 1118126518 /nfs/dbraw/zinc/12/65/18/1118126518.db2.gz AYZFOFNHUZHUIE-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN Cc1cc(CN2CCC[C@H](C)CC2)cnc1Br ZINC001167258473 1118126617 /nfs/dbraw/zinc/12/66/17/1118126617.db2.gz AYZFOFNHUZHUIE-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN Cc1conc1C[N@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC001167263975 1118132268 /nfs/dbraw/zinc/13/22/68/1118132268.db2.gz GZFANXQCAPWBJX-QGZVFWFLSA-N 0 1 284.403 3.746 20 0 CHADMN Cc1conc1CN1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC001167263975 1118132270 /nfs/dbraw/zinc/13/22/70/1118132270.db2.gz GZFANXQCAPWBJX-QGZVFWFLSA-N 0 1 284.403 3.746 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1ccc([C@H](C)O)cc1 ZINC000765305416 1118143397 /nfs/dbraw/zinc/14/33/97/1118143397.db2.gz PBRVKGYUZZFATF-GJZGRUSLSA-N 0 1 299.414 3.989 20 0 CHADMN Cc1cccc(-c2noc([C@@H]3CCCN3C(C)C)n2)c1F ZINC000924044578 1118148879 /nfs/dbraw/zinc/14/88/79/1118148879.db2.gz JQWZOYJZISZGCH-ZDUSSCGKSA-N 0 1 289.354 3.729 20 0 CHADMN C[C@@H](Cc1ccsc1)[NH2+]Cc1cccc([O-])c1Cl ZINC000385706850 1118151368 /nfs/dbraw/zinc/15/13/68/1118151368.db2.gz GRYWLKUWJUUTII-JTQLQIEISA-N 0 1 281.808 3.828 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(F)cc2F)C2CC2)ccn1 ZINC001168540399 1118151689 /nfs/dbraw/zinc/15/16/89/1118151689.db2.gz ADDAOWCBRQFOOZ-KRWDZBQOSA-N 0 1 288.341 3.909 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc(-c2nnco2)c1 ZINC001210102504 1118152834 /nfs/dbraw/zinc/15/28/34/1118152834.db2.gz PCURJIDQDBPWMX-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Cc1cccc(CNCc2cccc(C3CC3)c2)n1 ZINC000094519644 1118152860 /nfs/dbraw/zinc/15/28/60/1118152860.db2.gz VNSIHTBFHNJKES-UHFFFAOYSA-N 0 1 252.361 3.557 20 0 CHADMN C[C@@H](c1nc(C2(N)CCCC2)no1)c1ccc(Cl)cc1 ZINC000650228030 1118154625 /nfs/dbraw/zinc/15/46/25/1118154625.db2.gz RLFDCOKQHMDDFC-SNVBAGLBSA-N 0 1 291.782 3.603 20 0 CHADMN CC[C@@H](C)[C@@H](CN(Cc1ccc(F)cc1F)C1CC1)OC ZINC001205208906 1118156431 /nfs/dbraw/zinc/15/64/31/1118156431.db2.gz QFEKDNNXZLJQBI-SJKOYZFVSA-N 0 1 297.389 3.990 20 0 CHADMN C[C@H](NCCCOC1CCCCC1)c1cscn1 ZINC000162332140 1118160027 /nfs/dbraw/zinc/16/00/27/1118160027.db2.gz GEZDHYWNOVJGGG-LBPRGKRZSA-N 0 1 268.426 3.533 20 0 CHADMN C[C@H](Nc1ccc(Cl)c(CN(C)C)c1)[C@@H]1CC1(F)F ZINC000639134550 1118162035 /nfs/dbraw/zinc/16/20/35/1118162035.db2.gz OCCCTPGLINSPTN-CABZTGNLSA-N 0 1 288.769 3.857 20 0 CHADMN CNc1ncccc1CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062017291 1118172582 /nfs/dbraw/zinc/17/25/82/1118172582.db2.gz QWRAHETZXBVVJR-LBPRGKRZSA-N 0 1 289.810 3.970 20 0 CHADMN C[C@H]1CN(Cc2cccs2)Cc2ccccc2O1 ZINC000020450961 1118174005 /nfs/dbraw/zinc/17/40/05/1118174005.db2.gz GCSMWXGNUJUCRC-LBPRGKRZSA-N 0 1 259.374 3.531 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1ccncc1Br ZINC000625285484 1118175816 /nfs/dbraw/zinc/17/58/16/1118175816.db2.gz VTKKIPRNQFXZPM-ZYHUDNBSSA-N 0 1 283.213 3.607 20 0 CHADMN Cc1ncc(CN(C)CCSc2ccccc2)s1 ZINC000172074661 1118176090 /nfs/dbraw/zinc/17/60/90/1118176090.db2.gz ZVLDSZVTOXNOGZ-UHFFFAOYSA-N 0 1 278.446 3.676 20 0 CHADMN COc1cncc(CN[C@H](CC(C)C)c2ccccc2C)n1 ZINC000625293588 1118178238 /nfs/dbraw/zinc/17/82/38/1118178238.db2.gz CLYXBRLETLUFOM-QGZVFWFLSA-N 0 1 299.418 3.671 20 0 CHADMN C[C@H]1CCCN(CC(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000023695476 1118180826 /nfs/dbraw/zinc/18/08/26/1118180826.db2.gz AQMNEFKOBINKQJ-AWEZNQCLSA-N 0 1 288.435 3.655 20 0 CHADMN CCC[C@H]1CCCCN1Cc1nnc(C2CC2)n1C1CC1 ZINC000185864705 1118182460 /nfs/dbraw/zinc/18/24/60/1118182460.db2.gz XVWXRQLLUYZWKH-AWEZNQCLSA-N 0 1 288.439 3.645 20 0 CHADMN C[C@H]1CC[C@@H](NCc2nc(C(C)(C)C)cs2)CS1 ZINC000655713350 1118191373 /nfs/dbraw/zinc/19/13/73/1118191373.db2.gz YYKWPMZRLLAGDQ-WDEREUQCSA-N 0 1 284.494 3.814 20 0 CHADMN CC1(C)CO[C@H](CN[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000634686251 1118192364 /nfs/dbraw/zinc/19/23/64/1118192364.db2.gz GNXZZQZYDFSTPY-WMZOPIPTSA-N 0 1 296.414 3.576 20 0 CHADMN CC(C)c1csc(CN[C@H]2CC[C@@H](C)SC2)n1 ZINC000655723345 1118193827 /nfs/dbraw/zinc/19/38/27/1118193827.db2.gz JQFGATHRANISAR-MNOVXSKESA-N 0 1 270.467 3.640 20 0 CHADMN CC(C)[C@H](N[C@@H]1CC[C@@H](C)SC1)c1nc(C2CC2)no1 ZINC000655730218 1118195806 /nfs/dbraw/zinc/19/58/06/1118195806.db2.gz NBZCAOHHBGXVIB-RTXFEEFZSA-N 0 1 295.452 3.518 20 0 CHADMN CC1(C)C[C@H](N[C@@H]2CCCn3ccnc32)c2ccccc21 ZINC000655735760 1118197139 /nfs/dbraw/zinc/19/71/39/1118197139.db2.gz YJKSTCAYLLQYEW-CVEARBPZSA-N 0 1 281.403 3.730 20 0 CHADMN Cc1cc2c(c(C)c1)[C@@H](N[C@H](C)c1n[nH]c(C(C)C)n1)CC2 ZINC000655736418 1118197854 /nfs/dbraw/zinc/19/78/54/1118197854.db2.gz GSMJTCAVLXFYAB-HIFRSBDPSA-N 0 1 298.434 3.883 20 0 CHADMN CSc1ccc(CNCc2cnn(C3CCC3)c2)cc1 ZINC000921589712 1118202837 /nfs/dbraw/zinc/20/28/37/1118202837.db2.gz OQAWIGWUYYMZGN-UHFFFAOYSA-N 0 1 287.432 3.620 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2NCc1cnn(C2CCC2)c1 ZINC000921615357 1118206285 /nfs/dbraw/zinc/20/62/85/1118206285.db2.gz VRIWZHWCXBJSJQ-KRWDZBQOSA-N 0 1 285.366 3.524 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H]1CCc2cc(C)cc(C)c21 ZINC000655772631 1118208582 /nfs/dbraw/zinc/20/85/82/1118208582.db2.gz QLGVLZXJXUYUOL-GDBMZVCRSA-N 0 1 283.419 3.858 20 0 CHADMN Fc1ccc(CN2CC[C@H](Nc3ccccc3)C2)cc1F ZINC000102845220 1118209954 /nfs/dbraw/zinc/20/99/54/1118209954.db2.gz SIPYWPHLYUYPTO-HNNXBMFYSA-N 0 1 288.341 3.651 20 0 CHADMN CCc1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)cc1 ZINC000029001533 1118213589 /nfs/dbraw/zinc/21/35/89/1118213589.db2.gz OXHMOZAUGCBGGV-UHFFFAOYSA-N 0 1 291.354 3.891 20 0 CHADMN CCN(CC(=O)N[C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000029912822 1118216515 /nfs/dbraw/zinc/21/65/15/1118216515.db2.gz LHXBGSNGIFRTTH-CQSZACIVSA-N 0 1 296.414 3.501 20 0 CHADMN CCC[C@H](C)N(C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000030269784 1118218119 /nfs/dbraw/zinc/21/81/19/1118218119.db2.gz OXZUCAPKAVXITI-JTQLQIEISA-N 0 1 293.798 3.609 20 0 CHADMN CCC(CC)[C@@H](NCc1ncc[nH]1)c1cccs1 ZINC000067696455 1118219323 /nfs/dbraw/zinc/21/93/23/1118219323.db2.gz NFCVDNVJHDUNFP-CQSZACIVSA-N 0 1 263.410 3.738 20 0 CHADMN CO[C@H]1C[C@H](N[C@@H](C)c2csc(-c3ccccc3)n2)C1 ZINC000624301029 1118224084 /nfs/dbraw/zinc/22/40/84/1118224084.db2.gz YCVUIHDRALWAQQ-UBHSHLNASA-N 0 1 288.416 3.638 20 0 CHADMN COc1cc(C)ccc1CNCc1cccc(C)c1OC ZINC000655832837 1118227897 /nfs/dbraw/zinc/22/78/97/1118227897.db2.gz AODIPDTVFXQVNZ-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN O=C(c1cccs1)C1CCN(Cc2ccccc2)CC1 ZINC000039376004 1118229082 /nfs/dbraw/zinc/22/90/82/1118229082.db2.gz ULPBNSPGGWRIKV-UHFFFAOYSA-N 0 1 285.412 3.843 20 0 CHADMN CCOc1ccc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)cc1 ZINC000121296304 1118229176 /nfs/dbraw/zinc/22/91/76/1118229176.db2.gz QTVWHKFDYWYKIV-CQSZACIVSA-N 0 1 285.387 3.984 20 0 CHADMN Cc1noc(C)c1CNC1(c2ccc(F)cc2)CCCC1 ZINC000104076468 1118230133 /nfs/dbraw/zinc/23/01/33/1118230133.db2.gz XKLMIWMSXUHEMZ-UHFFFAOYSA-N 0 1 288.366 3.990 20 0 CHADMN CN(Cc1ncc(Cl)n1C)C[C@@H]1CCCC(C)(C)C1 ZINC000779162525 1128764125 /nfs/dbraw/zinc/76/41/25/1128764125.db2.gz WADGFDLSAYAEOV-GFCCVEGCSA-N 0 1 283.847 3.722 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Br)s2)C[C@H]1C ZINC000253055035 1118231072 /nfs/dbraw/zinc/23/10/72/1118231072.db2.gz ACYNPQBXGYHWTK-VHSXEESVSA-N 0 1 288.254 3.989 20 0 CHADMN CCC[C@H]1CCCCN1Cc1nc(-c2ccsc2)no1 ZINC000185873011 1118232425 /nfs/dbraw/zinc/23/24/25/1118232425.db2.gz NSHGWQJMWFAZDK-ZDUSSCGKSA-N 0 1 291.420 3.953 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000213488337 1118236465 /nfs/dbraw/zinc/23/64/65/1118236465.db2.gz MOKUHQKUMFYMKN-CQSZACIVSA-N 0 1 261.365 3.539 20 0 CHADMN Cc1ccc(CNCc2ccc(-c3ccccc3)o2)cn1 ZINC000340430507 1118238083 /nfs/dbraw/zinc/23/80/83/1118238083.db2.gz XEKHRYSSQKYEAB-UHFFFAOYSA-N 0 1 278.355 3.940 20 0 CHADMN c1ccc2c(c1)OCCC[C@@H]2NCc1cccc2c1OCC2 ZINC000921630510 1118239593 /nfs/dbraw/zinc/23/95/93/1118239593.db2.gz AENZZSURBUPWRP-KRWDZBQOSA-N 0 1 295.382 3.625 20 0 CHADMN Cc1cccc2c1OCC[C@@H]2NCc1cccc2c1OCC2 ZINC000921631728 1118241150 /nfs/dbraw/zinc/24/11/50/1118241150.db2.gz FRIZFAKPBFYQHI-KRWDZBQOSA-N 0 1 295.382 3.543 20 0 CHADMN CC(C)n1cc(Nc2ccncc2Oc2ccccc2)cn1 ZINC001210317877 1118245320 /nfs/dbraw/zinc/24/53/20/1118245320.db2.gz JGFDBYOOGKGKKV-UHFFFAOYSA-N 0 1 294.358 3.817 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)C[C@H]1CCC(C)(C)O1 ZINC000409445951 1118247785 /nfs/dbraw/zinc/24/77/85/1118247785.db2.gz YPYFYRVQDKUFMF-QWHCGFSZSA-N 0 1 265.372 3.776 20 0 CHADMN Cc1noc([C@H](C)N(C)CC23CC4CC(CC(C4)C2)C3)n1 ZINC000044586112 1118250722 /nfs/dbraw/zinc/25/07/22/1118250722.db2.gz HJRXTOGXJWFZLU-AOYIQCRGSA-N 0 1 289.423 3.587 20 0 CHADMN Cc1ccc([C@H](C)N(C)C(=O)c2cccc3c[nH]nc32)cc1 ZINC000045418173 1118255696 /nfs/dbraw/zinc/25/56/96/1118255696.db2.gz XUYCAOJSAXFCIJ-ZDUSSCGKSA-N 0 1 293.370 3.705 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000214153099 1118256824 /nfs/dbraw/zinc/25/68/24/1118256824.db2.gz WNJROGODKLABOT-AWEZNQCLSA-N 0 1 279.355 3.679 20 0 CHADMN CCCCc1noc(CN(CC)C2CCCCC2)n1 ZINC000045770599 1118258029 /nfs/dbraw/zinc/25/80/29/1118258029.db2.gz XYWHBWXUJVBPMA-UHFFFAOYSA-N 0 1 265.401 3.567 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1ccc(C(F)F)nc1 ZINC000639179558 1118265425 /nfs/dbraw/zinc/26/54/25/1118265425.db2.gz UKTWTXWOVHZDNS-OAHLLOKOSA-N 0 1 291.345 3.997 20 0 CHADMN C[C@@H](NCc1ccnn1C)c1ccc(Cl)c(Cl)c1 ZINC000036901192 1118268153 /nfs/dbraw/zinc/26/81/53/1118268153.db2.gz FRFJGXAIYUAYCW-SECBINFHSA-N 0 1 284.190 3.578 20 0 CHADMN Fc1ccc(CN[C@H]2CCSc3c(F)cccc32)cn1 ZINC000188976949 1128766752 /nfs/dbraw/zinc/76/67/52/1128766752.db2.gz DMMKZINAZYIOLX-ZDUSSCGKSA-N 0 1 292.354 3.687 20 0 CHADMN CC(C)Oc1ccc([C@@H](C)NCc2ccc(F)nc2)cc1 ZINC000188993540 1128767146 /nfs/dbraw/zinc/76/71/46/1128767146.db2.gz HBCFZFRERRANNW-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN Cc1cc([C@H](C)NCc2ccccc2-n2cccn2)oc1C ZINC000282185902 1118279189 /nfs/dbraw/zinc/27/91/89/1118279189.db2.gz NBTKSJFVUAKWDH-AWEZNQCLSA-N 0 1 295.386 3.933 20 0 CHADMN CN(CCC(F)(F)F)Cc1ccc(OC(F)F)cc1 ZINC000057597565 1118282088 /nfs/dbraw/zinc/28/20/88/1118282088.db2.gz ZYNCRGRCUIBSIP-UHFFFAOYSA-N 0 1 283.240 3.672 20 0 CHADMN Nc1ccccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000076045233 1118282701 /nfs/dbraw/zinc/28/27/01/1118282701.db2.gz QBPNXSASRLEDSA-UHFFFAOYSA-N 0 1 277.249 3.831 20 0 CHADMN Cc1nc([C@H](C)[NH2+]CCN2CCCC(C)(C)C2)c(C)s1 ZINC000683693484 1118290000 /nfs/dbraw/zinc/29/00/00/1118290000.db2.gz AFEAKOPPIFUKKJ-LBPRGKRZSA-N 0 1 295.496 3.533 20 0 CHADMN Cc1ccc(CN(C)CCOc2c(C)cccc2C)o1 ZINC000058888779 1118293271 /nfs/dbraw/zinc/29/32/71/1118293271.db2.gz BTGABMOAPWVEMK-UHFFFAOYSA-N 0 1 273.376 3.716 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nc(C)c2ccccc2n1 ZINC000107895819 1118294668 /nfs/dbraw/zinc/29/46/68/1118294668.db2.gz MGDJGQHBCDNPQX-CQSZACIVSA-N 0 1 269.392 3.703 20 0 CHADMN CCOC(=O)C1CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000060460340 1118299849 /nfs/dbraw/zinc/29/98/49/1118299849.db2.gz JGLADDDVHACASA-LBPRGKRZSA-N 0 1 295.810 3.676 20 0 CHADMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1nc(-c2ccco2)no1)C1CC1 ZINC000060562722 1118300716 /nfs/dbraw/zinc/30/07/16/1118300716.db2.gz TVWVUQOWHGODRS-NEPJUHHUSA-N 0 1 289.379 3.729 20 0 CHADMN CC(F)(F)c1ccc(CNCc2cccc(F)c2N)cc1 ZINC000639208075 1118301614 /nfs/dbraw/zinc/30/16/14/1118301614.db2.gz WRLAGHDDAYCOQH-UHFFFAOYSA-N 0 1 294.320 3.809 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc([C@H](C)O)cc2)oc1C ZINC000282244709 1118307344 /nfs/dbraw/zinc/30/73/44/1118307344.db2.gz QDKQBDRTCSEMPN-OLZOCXBDSA-N 0 1 273.376 3.801 20 0 CHADMN c1csc(-c2nc(CN3CCCCCC3)co2)c1 ZINC000061744734 1118307773 /nfs/dbraw/zinc/30/77/73/1118307773.db2.gz AVKODGLPJLRMBQ-UHFFFAOYSA-N 0 1 262.378 3.779 20 0 CHADMN FC1(F)CCCC[C@H]1CNCc1nc2ccccc2o1 ZINC000639217938 1118312728 /nfs/dbraw/zinc/31/27/28/1118312728.db2.gz WTUFORMWJJOIIC-NSHDSACASA-N 0 1 280.318 3.743 20 0 CHADMN Cc1c(F)cccc1CN(C)CCC(=O)c1cccs1 ZINC001204509857 1118314557 /nfs/dbraw/zinc/31/45/57/1118314557.db2.gz FQTFHMDBCFFYKI-UHFFFAOYSA-N 0 1 291.391 3.900 20 0 CHADMN CC[C@H](N[C@@H]1CCC[C@H]1F)c1ccc(F)cc1F ZINC000340524762 1118316939 /nfs/dbraw/zinc/31/69/39/1118316939.db2.gz AXMJDIJCRRDETB-KWCYVHTRSA-N 0 1 257.299 3.896 20 0 CHADMN CC1(C)Cc2occc2[C@H](N[C@@H]2CCC[C@@H]2F)C1 ZINC000340524439 1118317184 /nfs/dbraw/zinc/31/71/84/1118317184.db2.gz SCRHGQTWKMRSHC-YNEHKIRRSA-N 0 1 251.345 3.773 20 0 CHADMN CC1(C)CC[C@H](Nc2ncnc3[nH]cnc32)c2ccccc21 ZINC000063739175 1118320599 /nfs/dbraw/zinc/32/05/99/1118320599.db2.gz FYSKUSFFNVKYDQ-ZDUSSCGKSA-N 0 1 293.374 3.578 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)c(Cl)c1 ZINC000693173921 1118324242 /nfs/dbraw/zinc/32/42/42/1118324242.db2.gz SGHGTKAKNFENGA-IMJJTQAJSA-N 0 1 293.838 3.630 20 0 CHADMN Cc1c(F)cccc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC001204512612 1118326470 /nfs/dbraw/zinc/32/64/70/1118326470.db2.gz KHXOTBIJSAQVOP-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1c(F)cccc1CN1CCC[C@H]1c1ccccn1 ZINC001204512612 1118326475 /nfs/dbraw/zinc/32/64/75/1118326475.db2.gz KHXOTBIJSAQVOP-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CC(C)N(Cc1nn(-c2ccccc2)c2c1CCC2)C1CC1 ZINC000064556368 1118326791 /nfs/dbraw/zinc/32/67/91/1118326791.db2.gz SCORVHAEZADTCG-UHFFFAOYSA-N 0 1 295.430 3.734 20 0 CHADMN CCC[C@H](C)N(C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000064556870 1118327137 /nfs/dbraw/zinc/32/71/37/1118327137.db2.gz PQIDKPUUXZSGHI-HNNXBMFYSA-N 0 1 297.446 3.981 20 0 CHADMN C[C@H](NCc1ccccc1F)c1ccc2[nH]c(=O)oc2c1 ZINC000671739366 1118328078 /nfs/dbraw/zinc/32/80/78/1118328078.db2.gz FICXGAXKYMDBRZ-JTQLQIEISA-N 0 1 286.306 3.523 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)C[C@@H]1CCC=CO1 ZINC000193689795 1128770433 /nfs/dbraw/zinc/77/04/33/1128770433.db2.gz FREIGENSKIMPOB-YPMHNXCESA-N 0 1 267.319 3.650 20 0 CHADMN CC[C@@H](C)C[C@@H](CC)NCc1ncn(-c2ccccc2)n1 ZINC000340537640 1118333252 /nfs/dbraw/zinc/33/32/52/1118333252.db2.gz VUROUFRASGDDFN-HUUCEWRRSA-N 0 1 286.423 3.572 20 0 CHADMN c1oc2ccccc2c1CN(Cc1ccccn1)C1CC1 ZINC000349275382 1118333450 /nfs/dbraw/zinc/33/34/50/1118333450.db2.gz HIMZCEZLKMEUNR-UHFFFAOYSA-N 0 1 278.355 3.992 20 0 CHADMN C[C@H](c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1)N1[C@H](C)CC[C@@H]1C ZINC000656048713 1118338838 /nfs/dbraw/zinc/33/88/38/1118338838.db2.gz HJVYWTCAUFQUSR-FVUFVHQMSA-N 0 1 289.423 3.907 20 0 CHADMN COC(=O)c1ccc(CN2CCC[C@@H]2c2cccc(C)c2)o1 ZINC000340557013 1118346779 /nfs/dbraw/zinc/34/67/79/1118346779.db2.gz KGJYNBOAJLWOLG-MRXNPFEDSA-N 0 1 299.370 3.712 20 0 CHADMN c1coc(-c2cc(-c3nc([C@@H]4CCC[C@H]5C[C@H]54)no3)[nH]n2)c1 ZINC000656063263 1118348433 /nfs/dbraw/zinc/34/84/33/1118348433.db2.gz WMYOSAWMKSGIMG-HBNTYKKESA-N 0 1 296.330 3.623 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN(C)CC(C)(C)C ZINC000066831898 1118348620 /nfs/dbraw/zinc/34/86/20/1118348620.db2.gz PGAHVQSMDCWKSB-UHFFFAOYSA-N 0 1 277.387 3.673 20 0 CHADMN C[C@@H](CCc1ccccc1)N(C)Cc1cscn1 ZINC000063592657 1118358402 /nfs/dbraw/zinc/35/84/02/1118358402.db2.gz KESZBFVPZBUIEI-ZDUSSCGKSA-N 0 1 260.406 3.596 20 0 CHADMN CC[C@H](C)N(C)Cc1ncc(-c2ccccc2C)o1 ZINC000072601318 1118374244 /nfs/dbraw/zinc/37/42/44/1118374244.db2.gz NZJJKTOBWXEVRR-ZDUSSCGKSA-N 0 1 258.365 3.880 20 0 CHADMN COc1ccnc(NCc2ccc(-c3ccccc3)o2)c1 ZINC000340594328 1118374376 /nfs/dbraw/zinc/37/43/76/1118374376.db2.gz FKQNECACNVQXTG-UHFFFAOYSA-N 0 1 280.327 3.962 20 0 CHADMN Cc1ccoc1CN[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000072925077 1118376553 /nfs/dbraw/zinc/37/65/53/1118376553.db2.gz LIUSIBXUXQCHNC-AWEZNQCLSA-N 0 1 281.359 3.625 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCCC(F)(F)F)n2)cc1 ZINC000072969847 1118378032 /nfs/dbraw/zinc/37/80/32/1118378032.db2.gz WVEOWCRTSVJNIU-UHFFFAOYSA-N 0 1 287.310 3.825 20 0 CHADMN Clc1ccc2nc(-c3ccc4nccnc4c3)[nH]c2c1 ZINC000084436499 1118378992 /nfs/dbraw/zinc/37/89/92/1118378992.db2.gz NMBPSSFWHVIFEJ-UHFFFAOYSA-N 0 1 280.718 3.827 20 0 CHADMN CO[C@H](c1ccccc1)[C@H](C)NCc1ccc(Cl)o1 ZINC000683815242 1118383480 /nfs/dbraw/zinc/38/34/80/1118383480.db2.gz BOGFSBYFNLIVFZ-NHYWBVRUSA-N 0 1 279.767 3.799 20 0 CHADMN C[C@H](N[C@@H]1CCO[C@@H](c2cccs2)C1)c1cscn1 ZINC000580157833 1118392626 /nfs/dbraw/zinc/39/26/26/1118392626.db2.gz QRNITPLDXIWNFY-DMDPSCGWSA-N 0 1 294.445 3.776 20 0 CHADMN CCOc1c(Cl)cccc1CN1CCCOC(C)(C)C1 ZINC000683829869 1118396108 /nfs/dbraw/zinc/39/61/08/1118396108.db2.gz BXKFWTJXOYFYIN-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN CCCCc1nc2ccc(NC(=O)[C@@H]3C[C@H]3CC)cc2[nH]1 ZINC001125426770 1118396852 /nfs/dbraw/zinc/39/68/52/1118396852.db2.gz SYXPFKHJDUYWKT-DGCLKSJQSA-N 0 1 285.391 3.890 20 0 CHADMN CC(C)c1nc(CN2CCC23CCC3)c2ccccn21 ZINC000580205185 1118400697 /nfs/dbraw/zinc/40/06/97/1118400697.db2.gz VJCLLLVSBMNWTE-UHFFFAOYSA-N 0 1 269.392 3.586 20 0 CHADMN CCOc1c(Cl)cccc1CN(C)CCOC(C)(C)C ZINC000683832871 1118400743 /nfs/dbraw/zinc/40/07/43/1118400743.db2.gz NEUODCUTVHLXHC-UHFFFAOYSA-N 0 1 299.842 3.986 20 0 CHADMN CC(C)(C(=O)NOCC1CCC1)c1ccc(Cl)cc1F ZINC001167368963 1118403665 /nfs/dbraw/zinc/40/36/65/1118403665.db2.gz MFPMARAXLQFNFE-UHFFFAOYSA-N 0 1 299.773 3.605 20 0 CHADMN Cc1nccc(N2C[C@@H](C)C(F)(F)[C@H](C)C2)c1Cl ZINC000624445428 1118404690 /nfs/dbraw/zinc/40/46/90/1118404690.db2.gz JAAFPMDAMBRPED-RKDXNWHRSA-N 0 1 274.742 3.771 20 0 CHADMN Cc1nc(CNCc2cc(C)cc(C)c2)sc1C ZINC000693207442 1118413802 /nfs/dbraw/zinc/41/38/02/1118413802.db2.gz XEIVBWHXFGSWAL-UHFFFAOYSA-N 0 1 260.406 3.667 20 0 CHADMN CCc1cc(CNCc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC001655603379 1118414412 /nfs/dbraw/zinc/41/44/12/1118414412.db2.gz JGRGAKDYMWLWOC-UHFFFAOYSA-N 0 1 284.190 3.569 20 0 CHADMN CCc1cc(CNCc2cc(Cl)cc(Cl)c2)[nH]n1 ZINC001655603379 1118414413 /nfs/dbraw/zinc/41/44/13/1118414413.db2.gz JGRGAKDYMWLWOC-UHFFFAOYSA-N 0 1 284.190 3.569 20 0 CHADMN COc1ccc([C@H]2CCCN2Cc2oc(C)nc2C)cc1 ZINC000683897227 1118432280 /nfs/dbraw/zinc/43/22/80/1118432280.db2.gz UBMYVPZZBKCFDB-MRXNPFEDSA-N 0 1 286.375 3.637 20 0 CHADMN C=C(Nc1ccc(Br)nc1)c1ccccc1 ZINC001210981948 1118434383 /nfs/dbraw/zinc/43/43/83/1118434383.db2.gz WWKKMLCXDIQVCU-UHFFFAOYSA-N 0 1 275.149 3.927 20 0 CHADMN CC(C)(CC[N@@H+](CC(=O)[O-])C1CCCCC1)C1CC1 ZINC000656190659 1118434919 /nfs/dbraw/zinc/43/49/19/1118434919.db2.gz MBWYONJLRSOPNQ-UHFFFAOYSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1cccc([C@@H](c2noc([C@@H]3CC[N@@H+](C)C3)n2)C(C)C)c1 ZINC000580378455 1118440956 /nfs/dbraw/zinc/44/09/56/1118440956.db2.gz KVKBNXZYEMMDIM-CVEARBPZSA-N 0 1 299.418 3.585 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000086779081 1118444870 /nfs/dbraw/zinc/44/48/70/1118444870.db2.gz KESVSRRKVCXREK-FZKQIMNGSA-N 0 1 289.419 3.842 20 0 CHADMN O=C([O-])[C@@H]1CCCCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000086814467 1118445697 /nfs/dbraw/zinc/44/56/97/1118445697.db2.gz YBKBCVBIMCBEGH-KRWDZBQOSA-N 0 1 283.371 3.669 20 0 CHADMN COC[C@H](NCc1cc2ccccc2[nH]1)c1ccccc1 ZINC000683927200 1118446484 /nfs/dbraw/zinc/44/64/84/1118446484.db2.gz NQWWLXSUJLDYLO-SFHVURJKSA-N 0 1 280.371 3.645 20 0 CHADMN Fc1cnc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c(F)c1 ZINC001207097821 1118448749 /nfs/dbraw/zinc/44/87/49/1118448749.db2.gz ZUPJPKSUEPWZHA-XHDPSFHLSA-N 0 1 266.335 3.514 20 0 CHADMN Fc1cnc(CN2CCC[C@@H]3CCCC[C@H]32)c(F)c1 ZINC001207097821 1118448751 /nfs/dbraw/zinc/44/87/51/1118448751.db2.gz ZUPJPKSUEPWZHA-XHDPSFHLSA-N 0 1 266.335 3.514 20 0 CHADMN CCC1CCN([C@@H](C)C(=O)Nc2c(C)cccc2C)CC1 ZINC000052280191 1118449682 /nfs/dbraw/zinc/44/96/82/1118449682.db2.gz XQIGQOFEJZAJJB-HNNXBMFYSA-N 0 1 288.435 3.752 20 0 CHADMN Cc1nn(C)c(CN(C2CC2)C2CCC(C)CC2)c1Cl ZINC001657502343 1118456903 /nfs/dbraw/zinc/45/69/03/1118456903.db2.gz ACWLLRGBUVHAEZ-UHFFFAOYSA-N 0 1 295.858 3.925 20 0 CHADMN CCC(=O)CCCN1CCS[C@H](c2ccccc2)C1 ZINC000649317032 1128778849 /nfs/dbraw/zinc/77/88/49/1128778849.db2.gz XPESZGPHKQAAGC-INIZCTEOSA-N 0 1 277.433 3.536 20 0 CHADMN CC(C)[C@@H](O)C(C)(C)CNCc1c(F)cccc1Cl ZINC001657722159 1118459744 /nfs/dbraw/zinc/45/97/44/1118459744.db2.gz RDSFVFDRFRHZOV-CQSZACIVSA-N 0 1 287.806 3.612 20 0 CHADMN Brc1ccc(CN2CCC[C@H]2C2CCC2)cn1 ZINC001658395762 1118470385 /nfs/dbraw/zinc/47/03/85/1118470385.db2.gz FCTXQEGZSNUGRC-ZDUSSCGKSA-N 0 1 295.224 3.609 20 0 CHADMN CN(Cc1cccnc1)[C@@H]1CCc2cc(Cl)ccc21 ZINC000782188393 1118471188 /nfs/dbraw/zinc/47/11/88/1118471188.db2.gz CYCJQCQMBFXJBS-MRXNPFEDSA-N 0 1 272.779 3.854 20 0 CHADMN c1coc([C@H](NC[C@H]2CCC=CO2)c2ccccc2)c1 ZINC000050268633 1118471284 /nfs/dbraw/zinc/47/12/84/1118471284.db2.gz BHCGVNZJKZRECL-NVXWUHKLSA-N 0 1 269.344 3.651 20 0 CHADMN Fc1cccc(OC(F)F)c1CN1C[C@@H]2CCC[C@H]2C1 ZINC001207111753 1118472913 /nfs/dbraw/zinc/47/29/13/1118472913.db2.gz PKSVLEREWJUVGI-QWRGUYRKSA-N 0 1 285.309 3.659 20 0 CHADMN CCCCC[C@H](NC)c1nc(-c2cc(F)ccc2F)no1 ZINC001212279396 1128779889 /nfs/dbraw/zinc/77/98/89/1128779889.db2.gz RMMIIEGUCMXURV-ZDUSSCGKSA-N 0 1 295.333 3.856 20 0 CHADMN COc1ccccc1-c1ccc(Nc2cncn2C)cc1 ZINC001211250229 1118487465 /nfs/dbraw/zinc/48/74/65/1118487465.db2.gz JJVTWAJFHHFIPH-UHFFFAOYSA-N 0 1 279.343 3.839 20 0 CHADMN Cn1cncc1Nc1ccc(OCC(C)(C)C)c(F)c1 ZINC001211252819 1118488126 /nfs/dbraw/zinc/48/81/26/1118488126.db2.gz YLMJZQMIFSEOOX-UHFFFAOYSA-N 0 1 277.343 3.728 20 0 CHADMN Cn1cncc1Nc1ccc(-c2cccc(O)c2)cc1 ZINC001211254265 1118489267 /nfs/dbraw/zinc/48/92/67/1118489267.db2.gz SAGIVGNOLLWSIP-UHFFFAOYSA-N 0 1 265.316 3.536 20 0 CHADMN CC(C)N(Cc1cc2ccccc2[nH]1)Cc1ccccn1 ZINC000684021475 1118489893 /nfs/dbraw/zinc/48/98/93/1118489893.db2.gz VUBOCHPHZPKLPM-UHFFFAOYSA-N 0 1 279.387 3.974 20 0 CHADMN COC[C@H](N[C@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000089668700 1118490941 /nfs/dbraw/zinc/49/09/41/1118490941.db2.gz YKYPGIURIRLMFW-ROUUACIJSA-N 0 1 285.362 3.790 20 0 CHADMN CC1(C)CCN(Cc2nc3c(s2)CCCC3)CCS1 ZINC000684026561 1118491758 /nfs/dbraw/zinc/49/17/58/1118491758.db2.gz XQGGXUMXYVWOON-UHFFFAOYSA-N 0 1 296.505 3.739 20 0 CHADMN C[C@@H](NCc1ccc(Br)cn1)c1ccsc1 ZINC000069938819 1118493244 /nfs/dbraw/zinc/49/32/44/1118493244.db2.gz CQRLJAOTBAVALB-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN C[N@@H+](CCCCCC(=O)[O-])Cc1cccc2ccccc21 ZINC000580720344 1118495375 /nfs/dbraw/zinc/49/53/75/1118495375.db2.gz YTVCNHJCMQKRNJ-UHFFFAOYSA-N 0 1 285.387 3.917 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@H](C)N1C[C@@H]2CCCC[C@@H]21 ZINC000660928191 1118506083 /nfs/dbraw/zinc/50/60/83/1118506083.db2.gz LECOFBOWIVYJLX-JYJNAYRXSA-N 0 1 286.419 3.505 20 0 CHADMN CC[C@H]1CCCN(Cc2nc(-c3cccc(C)c3)no2)C1 ZINC000048057975 1118507406 /nfs/dbraw/zinc/50/74/06/1118507406.db2.gz LCHYVNOYVOSCAF-AWEZNQCLSA-N 0 1 285.391 3.667 20 0 CHADMN CCC(CC)CCCN(C)C(=O)c1ccc2cncn2c1 ZINC000620197130 1118509362 /nfs/dbraw/zinc/50/93/62/1118509362.db2.gz BCPLHINBMHSQQQ-UHFFFAOYSA-N 0 1 287.407 3.623 20 0 CHADMN CN(Cc1nnc(-c2ccc(Cl)cc2)o1)C(C)(C)C ZINC000580832046 1118512117 /nfs/dbraw/zinc/51/21/17/1118512117.db2.gz NYEGFVRCKRLEIH-UHFFFAOYSA-N 0 1 279.771 3.620 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](CO)c2ccsc2)c(C)c1 ZINC000349356588 1118520760 /nfs/dbraw/zinc/52/07/60/1118520760.db2.gz QXJTZUKFQBBPSP-BBRMVZONSA-N 0 1 275.417 3.749 20 0 CHADMN Fc1cc(Nc2cc(F)c(F)cc2F)cc2[nH]ncc21 ZINC001215554847 1118526428 /nfs/dbraw/zinc/52/64/28/1118526428.db2.gz JYKWTTVHMNXPRY-UHFFFAOYSA-N 0 1 281.212 3.863 20 0 CHADMN COc1cccc2cc([C@@H](C)NC/C=C/Cl)oc21 ZINC000754595276 1118534164 /nfs/dbraw/zinc/53/41/64/1118534164.db2.gz AZWMBINRCOSWEG-LJJSCBMDSA-N 0 1 265.740 3.845 20 0 CHADMN Cc1cc(OCc2csc(C(C)C)n2)cc(C)n1 ZINC000128186116 1118538347 /nfs/dbraw/zinc/53/83/47/1118538347.db2.gz VWVLAXMVLQBZRN-UHFFFAOYSA-N 0 1 262.378 3.857 20 0 CHADMN C[C@@H]1CCN(Cc2cc(Br)cs2)C[C@H]1C ZINC000253073496 1118542185 /nfs/dbraw/zinc/54/21/85/1118542185.db2.gz OWVZRWHMUWYJTG-NXEZZACHSA-N 0 1 288.254 3.989 20 0 CHADMN Oc1ccc([C@@H]2CCC[N@H+]2Cc2ccc3c(n2)CCC3)cc1 ZINC000656425270 1118547320 /nfs/dbraw/zinc/54/73/20/1118547320.db2.gz FGDHDQOOMYCFAZ-IBGZPJMESA-N 0 1 294.398 3.613 20 0 CHADMN c1csc(CCCCCc2nc([C@@H]3CCCN3)no2)c1 ZINC000647149453 1118554863 /nfs/dbraw/zinc/55/48/63/1118554863.db2.gz MASUPQPRLPBEQM-ZDUSSCGKSA-N 0 1 291.420 3.511 20 0 CHADMN CCC[C@@H](NCc1cnnn1CC)c1ccc(Cl)cc1 ZINC000656493216 1118565323 /nfs/dbraw/zinc/56/53/23/1118565323.db2.gz UDJIYOHXZMLOLL-OAHLLOKOSA-N 0 1 292.814 3.582 20 0 CHADMN Cc1nnsc1CNC/C=C\c1cc(C)c(C)cc1C ZINC000631141531 1118574511 /nfs/dbraw/zinc/57/45/11/1118574511.db2.gz DWFSHEDBLQGSDY-WAYWQWQTSA-N 0 1 287.432 3.575 20 0 CHADMN CO[C@H]1CCC[C@H]1CNc1ccnc2cc(F)ccc21 ZINC000340996636 1118575345 /nfs/dbraw/zinc/57/53/45/1118575345.db2.gz PJILPTWHAUIZSR-ZBEGNZNMSA-N 0 1 274.339 3.601 20 0 CHADMN CC(C)(C)C[C@H](NCc1cnns1)c1ccccc1 ZINC000296353418 1118576130 /nfs/dbraw/zinc/57/61/30/1118576130.db2.gz RFTBPXFDVKXGCW-AWEZNQCLSA-N 0 1 275.421 3.805 20 0 CHADMN COCC[C@H](NCc1csc(C)c1C)c1ccco1 ZINC000631112217 1118576542 /nfs/dbraw/zinc/57/65/42/1118576542.db2.gz YQRAPOHSAQZJRU-AWEZNQCLSA-N 0 1 279.405 3.825 20 0 CHADMN Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2c2ccccc2)n[nH]1 ZINC000616328939 1128786616 /nfs/dbraw/zinc/78/66/16/1128786616.db2.gz QUBIUNLUOMYDIF-NVXWUHKLSA-N 0 1 297.402 3.517 20 0 CHADMN COCc1cc([C@H](C)NCc2occc2C)ccc1OC ZINC000293788052 1118582318 /nfs/dbraw/zinc/58/23/18/1118582318.db2.gz UFHAAPCMHFLSPW-ZDUSSCGKSA-N 0 1 289.375 3.594 20 0 CHADMN FC(F)O[C@@H]1CCCN(CCc2cccc(Cl)c2)C1 ZINC000656534218 1118585686 /nfs/dbraw/zinc/58/56/86/1118585686.db2.gz NFGSZFVPQDEYGO-CYBMUJFWSA-N 0 1 289.753 3.586 20 0 CHADMN c1c[nH]c([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)CCCO3)c1 ZINC000891404734 1118600869 /nfs/dbraw/zinc/60/08/69/1118600869.db2.gz MHZAUUHUIVKGAN-QGZVFWFLSA-N 0 1 282.387 3.677 20 0 CHADMN COc1cc(F)c(F)cc1CN1CC[C@@H](C)C[C@@H]1C ZINC001143394646 1118606610 /nfs/dbraw/zinc/60/66/10/1118606610.db2.gz KLULAWLFFWQDEJ-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN COC[C@@H](N[C@@H](C)c1c(F)cccc1Cl)C1CC1 ZINC000090180260 1118623243 /nfs/dbraw/zinc/62/32/43/1118623243.db2.gz CKAHXIJFVYIBLY-TVQRCGJNSA-N 0 1 271.763 3.555 20 0 CHADMN Fc1cccc(CN2CCC3(CC3)CC2)c1Br ZINC000707093512 1118626001 /nfs/dbraw/zinc/62/60/01/1118626001.db2.gz SVIMJOOWNMUBCV-UHFFFAOYSA-N 0 1 298.199 3.964 20 0 CHADMN Cn1ncc(C2CCC2)c1CN[C@@H]1CCc2ccc(F)cc21 ZINC000656689391 1118637399 /nfs/dbraw/zinc/63/73/99/1118637399.db2.gz QSQYFRPCGDKTTI-QGZVFWFLSA-N 0 1 299.393 3.604 20 0 CHADMN C[C@@H](CN1CC2(CC(F)C2)C1)c1cc(F)cc(F)c1 ZINC000656693879 1118638562 /nfs/dbraw/zinc/63/85/62/1118638562.db2.gz WERKUYGJMBNTGJ-JTQLQIEISA-N 0 1 269.310 3.502 20 0 CHADMN Cn1cnc2cc(CN[C@@H]3CSc4ccccc43)ccc21 ZINC000341259862 1118643373 /nfs/dbraw/zinc/64/33/73/1118643373.db2.gz BMOKLTVQFKWHRB-OAHLLOKOSA-N 0 1 295.411 3.510 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cnc(C)nc2)c(C)c1 ZINC000341266543 1118644279 /nfs/dbraw/zinc/64/42/79/1118644279.db2.gz KVEQAQYLJIRBGS-CQSZACIVSA-N 0 1 269.392 3.595 20 0 CHADMN Fc1ccc(C2CCN(CC3(F)CC3)CC2)cc1F ZINC000684359060 1118648957 /nfs/dbraw/zinc/64/89/57/1118648957.db2.gz IHEVTWWZZMODLV-UHFFFAOYSA-N 0 1 269.310 3.646 20 0 CHADMN Cc1oc(C[N@H+]2CCCC3(CCCC3)CC2)cc1C(=O)[O-] ZINC000656757866 1118650082 /nfs/dbraw/zinc/65/00/82/1118650082.db2.gz BOHRRRNFGAOXBD-UHFFFAOYSA-N 0 1 291.391 3.833 20 0 CHADMN O=C([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H](CCF)C1 ZINC000656762201 1118650835 /nfs/dbraw/zinc/65/08/35/1118650835.db2.gz APJAFIODDMYTAE-LLVKDONJSA-N 0 1 299.773 3.610 20 0 CHADMN O=C([O-])[C@@H](c1ccccc1)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656761112 1118650845 /nfs/dbraw/zinc/65/08/45/1118650845.db2.gz MCBYBSGRCQJVAG-DLBZAZTESA-N 0 1 287.403 3.715 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC000656766707 1118653079 /nfs/dbraw/zinc/65/30/79/1118653079.db2.gz PKAQVFKKKFXYLB-CYBMUJFWSA-N 0 1 269.429 3.634 20 0 CHADMN Cc1cccc2[nH]c(CNc3nccn3CC(C)C)cc21 ZINC000656774372 1118655329 /nfs/dbraw/zinc/65/53/29/1118655329.db2.gz INRHWOMDOBYQEB-UHFFFAOYSA-N 0 1 282.391 3.941 20 0 CHADMN CCc1ccc(C)nc1NCc1cc(-n2ccnc2)cs1 ZINC000656779490 1118655820 /nfs/dbraw/zinc/65/58/20/1118655820.db2.gz ZYLHHRYXEMUDIG-UHFFFAOYSA-N 0 1 298.415 3.812 20 0 CHADMN CCc1ccc(C)nc1NCc1scnc1C1CC1 ZINC000656778683 1118655830 /nfs/dbraw/zinc/65/58/30/1118655830.db2.gz HNJCRTKKLNSHCR-UHFFFAOYSA-N 0 1 273.405 3.898 20 0 CHADMN CCc1ccc(C)nc1NCc1ccccc1NC(C)=O ZINC000656778170 1118656212 /nfs/dbraw/zinc/65/62/12/1118656212.db2.gz QQEAAWISKZGCOR-UHFFFAOYSA-N 0 1 283.375 3.523 20 0 CHADMN Cc1ccnc(NCc2n[nH]c3ccccc23)c1C1CC1 ZINC000656779590 1118656223 /nfs/dbraw/zinc/65/62/23/1118656223.db2.gz RKYKQNJXVUSGMX-UHFFFAOYSA-N 0 1 278.359 3.756 20 0 CHADMN CCOc1cccc(CN[C@@H](c2ccccn2)C(C)C)c1 ZINC000076903491 1128792304 /nfs/dbraw/zinc/79/23/04/1128792304.db2.gz WRYVXPSUZZQKJO-GOSISDBHSA-N 0 1 284.403 3.967 20 0 CHADMN Cc1cnc(CN[C@H]2CC(C)(C)CCc3ccccc32)n1C ZINC000341337212 1118667603 /nfs/dbraw/zinc/66/76/03/1118667603.db2.gz FUXSPJDDPHEYMS-KRWDZBQOSA-N 0 1 297.446 3.922 20 0 CHADMN Cc1cc(CNCc2cc(-c3ccccc3)cs2)n(C)n1 ZINC000341335746 1118667660 /nfs/dbraw/zinc/66/76/60/1118667660.db2.gz BGVBNPHIXWITEZ-UHFFFAOYSA-N 0 1 297.427 3.747 20 0 CHADMN Cc1nsc(C)c1CN[C@@]1(C)CCOc2ccccc21 ZINC000933370363 1118671149 /nfs/dbraw/zinc/67/11/49/1118671149.db2.gz LGAZNZVHLGKGSM-INIZCTEOSA-N 0 1 288.416 3.547 20 0 CHADMN CC[C@@H]1c2ccsc2CCN1Cc1cccnc1 ZINC000078794160 1118680695 /nfs/dbraw/zinc/68/06/95/1118680695.db2.gz OLYCRVHSBYHZRY-CQSZACIVSA-N 0 1 258.390 3.653 20 0 CHADMN Cc1ccc(Cl)nc1CN1CCC(C)(C)CC1 ZINC001140448311 1118681870 /nfs/dbraw/zinc/68/18/70/1118681870.db2.gz VPRXFAJHUATXNV-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN CC(C)C1CN(Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000684408662 1118684095 /nfs/dbraw/zinc/68/40/95/1118684095.db2.gz MAYJLTSUCNALBA-UHFFFAOYSA-N 0 1 289.810 3.614 20 0 CHADMN CC(C)C1CN(C/C=C\c2ccc(F)cc2F)C1 ZINC000684409382 1118685263 /nfs/dbraw/zinc/68/52/63/1118685263.db2.gz UZACNQCKKHQYCN-ARJAWSKDSA-N 0 1 251.320 3.566 20 0 CHADMN Cc1cnc(CNCc2c(C)c(C)c(C)c(C)c2C)n1C ZINC000341388486 1118685631 /nfs/dbraw/zinc/68/56/31/1118685631.db2.gz HYDOSENGJGLZJY-UHFFFAOYSA-N 0 1 285.435 3.560 20 0 CHADMN Cc1ccc(CN(C)Cc2cnn(C3CCC3)c2)cc1 ZINC000891474546 1118690581 /nfs/dbraw/zinc/69/05/81/1118690581.db2.gz QYGJXYYVLCSFHM-UHFFFAOYSA-N 0 1 269.392 3.549 20 0 CHADMN Cc1nn(C(C)C)c(C)c1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000891480428 1118692595 /nfs/dbraw/zinc/69/25/95/1118692595.db2.gz JMTWTOJATYFAMZ-UHFFFAOYSA-N 0 1 289.398 3.852 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CN(C)Cc1ccc(F)cc1 ZINC000891480428 1118692596 /nfs/dbraw/zinc/69/25/96/1118692596.db2.gz JMTWTOJATYFAMZ-UHFFFAOYSA-N 0 1 289.398 3.852 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@@H+](CCCC2CCCCC2)C1 ZINC000395219341 1118698509 /nfs/dbraw/zinc/69/85/09/1118698509.db2.gz SDCSTJGFJGVAJT-HNNXBMFYSA-N 0 1 267.413 3.534 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC[C@@H](C(C)(C)C)CC2)o1 ZINC000341443854 1118709479 /nfs/dbraw/zinc/70/94/79/1118709479.db2.gz WLIHZZQQSKFYPY-CHWSQXEVSA-N 0 1 279.428 3.841 20 0 CHADMN C(=C\[C@@H]1CCCCCN1Cc1c[nH]cn1)\c1cccs1 ZINC000341521136 1118718528 /nfs/dbraw/zinc/71/85/28/1118718528.db2.gz BJZZDCZVVBZWRZ-LZNQSLFOSA-N 0 1 287.432 3.929 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccsc1)c1coc2ccccc21 ZINC000926198895 1118719514 /nfs/dbraw/zinc/71/95/14/1118719514.db2.gz MPTMBFHMURAJIZ-IAQYHMDHSA-N 0 1 287.384 3.879 20 0 CHADMN Cn1ncc(CN2CCC[C@H]2c2cccc(F)c2)c1C1CC1 ZINC000891617801 1118721968 /nfs/dbraw/zinc/72/19/68/1118721968.db2.gz JRKYVWLOTBBUHC-KRWDZBQOSA-N 0 1 299.393 3.774 20 0 CHADMN Cn1cc(CN2CCC[C@H]2c2cccc(F)c2)c(C2CC2)n1 ZINC000891618680 1118722957 /nfs/dbraw/zinc/72/29/57/1118722957.db2.gz TYNSULICWQTVOR-KRWDZBQOSA-N 0 1 299.393 3.774 20 0 CHADMN COc1ccc(F)c(F)c1CN1[C@@H](C)CCC[C@@H]1C ZINC001143403406 1118734394 /nfs/dbraw/zinc/73/43/94/1118734394.db2.gz CQVFNNDHWWGQKL-QWRGUYRKSA-N 0 1 269.335 3.736 20 0 CHADMN C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000471801090 1118735680 /nfs/dbraw/zinc/73/56/80/1118735680.db2.gz YNUAQSNZZZWRMZ-AAEUAGOBSA-N 0 1 291.391 3.509 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2nc3cccnc3s2)C1 ZINC000341579492 1118745168 /nfs/dbraw/zinc/74/51/68/1118745168.db2.gz VYEHNICLOLGQLR-HNNXBMFYSA-N 0 1 275.421 3.703 20 0 CHADMN Cc1nc(-c2ccc([C@H](C)NCCF)cc2)cs1 ZINC000341591065 1118748946 /nfs/dbraw/zinc/74/89/46/1118748946.db2.gz FOERUVQRHRUFKC-JTQLQIEISA-N 0 1 264.369 3.739 20 0 CHADMN CC1(C)CCCN(Cc2cnc(CC(F)(F)F)s2)C1 ZINC000891722230 1118751328 /nfs/dbraw/zinc/75/13/28/1118751328.db2.gz VJRJUTUFGXJYLA-UHFFFAOYSA-N 0 1 292.370 3.870 20 0 CHADMN COc1cc(Nc2cc(C)cc(Cl)c2N)ncc1C ZINC001216091578 1118753971 /nfs/dbraw/zinc/75/39/71/1118753971.db2.gz CEUMDHPYVTUNRT-UHFFFAOYSA-N 0 1 277.755 3.686 20 0 CHADMN Cc1ccc(CN(C)CCSCc2ccccc2)o1 ZINC000430739193 1118765677 /nfs/dbraw/zinc/76/56/77/1118765677.db2.gz MZESJMWAUAUAKK-UHFFFAOYSA-N 0 1 275.417 3.953 20 0 CHADMN CCC1CCN(Cc2ccnn2-c2ccccc2OC)CC1 ZINC000430737544 1118765708 /nfs/dbraw/zinc/76/57/08/1118765708.db2.gz IOGKSZKLRXDWRX-UHFFFAOYSA-N 0 1 299.418 3.503 20 0 CHADMN CN(Cc1ccco1)[C@H]1CCCc2ccc(F)cc21 ZINC000510550045 1118768534 /nfs/dbraw/zinc/76/85/34/1118768534.db2.gz XTDKTYILXGWWCW-INIZCTEOSA-N 0 1 259.324 3.928 20 0 CHADMN CC(C)N(Cc1nnc(C(C)(C)C)o1)C1CCCC1 ZINC000068822204 1128799835 /nfs/dbraw/zinc/79/98/35/1128799835.db2.gz UQRRNAAODLHTMG-UHFFFAOYSA-N 0 1 265.401 3.520 20 0 CHADMN CCOC1CC(C[N@H+]2CC[C@](F)(c3ccccc3C)C2)C1 ZINC000510643388 1118780863 /nfs/dbraw/zinc/78/08/63/1118780863.db2.gz GFPOXTPGGXKOOT-LEOMRAHMSA-N 0 1 291.410 3.681 20 0 CHADMN Clc1ccc(/C=C/CN2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000510661396 1118783970 /nfs/dbraw/zinc/78/39/70/1118783970.db2.gz YOONPDMADDQGBG-REUDQUMMSA-N 0 1 277.795 3.607 20 0 CHADMN CCc1nc([C@@H](C)NC[C@]2(C)CC2(Cl)Cl)cs1 ZINC000828823127 1118786780 /nfs/dbraw/zinc/78/67/80/1118786780.db2.gz WONWTHAQUBTWBR-KCJUWKMLSA-N 0 1 293.263 3.940 20 0 CHADMN CCc1nc(CN(C)CC2(CCCOC)CCC2)cs1 ZINC000891812049 1118787732 /nfs/dbraw/zinc/78/77/32/1118787732.db2.gz KQGRTMBBVZPKPV-UHFFFAOYSA-N 0 1 296.480 3.734 20 0 CHADMN Cc1ccc(Cl)c(NC(=O)c2ccc3cncn3c2)c1C ZINC000341667054 1118791294 /nfs/dbraw/zinc/79/12/94/1118791294.db2.gz HUQPVSHZOMESKN-UHFFFAOYSA-N 0 1 299.761 3.857 20 0 CHADMN C[C@H](Sc1nc(Cc2ccccc2)n[nH]1)c1ccncc1 ZINC000684534363 1118801765 /nfs/dbraw/zinc/80/17/65/1118801765.db2.gz PGUMQSJVUFXVLA-LBPRGKRZSA-N 0 1 296.399 3.644 20 0 CHADMN CC(C)(C)c1nc(CSc2cc(F)ccc2F)n[nH]1 ZINC000430987130 1118806166 /nfs/dbraw/zinc/80/61/66/1118806166.db2.gz FWNCBQHOKOFILH-UHFFFAOYSA-N 0 1 283.347 3.673 20 0 CHADMN C[C@H](F)CC[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000510765954 1118812026 /nfs/dbraw/zinc/81/20/26/1118812026.db2.gz ROEZFTPTEGKCMT-VIFPVBQESA-N 0 1 292.167 3.768 20 0 CHADMN CC(C)c1cnc(CNCC2=CCCCC2)s1 ZINC000449376171 1118813173 /nfs/dbraw/zinc/81/31/73/1118813173.db2.gz LNSIARCUZGQYDD-UHFFFAOYSA-N 0 1 250.411 3.857 20 0 CHADMN CC(C)c1cccc(NC(=O)c2cccc3cn[nH]c32)c1 ZINC000037150947 1118815886 /nfs/dbraw/zinc/81/58/86/1118815886.db2.gz JWHUVVMTKMBUQG-UHFFFAOYSA-N 0 1 279.343 3.939 20 0 CHADMN COc1ccc(F)c(F)c1CN1CCC[C@@H](C)[C@@H]1C ZINC001143411969 1118821226 /nfs/dbraw/zinc/82/12/26/1118821226.db2.gz BOPAZJCLDLLUPR-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN c1ccc(-c2cccc(NCc3n[nH]c(C4CC4)n3)c2)cc1 ZINC000431078021 1118825103 /nfs/dbraw/zinc/82/51/03/1118825103.db2.gz RRMNPSDGHDHZQK-UHFFFAOYSA-N 0 1 290.370 3.961 20 0 CHADMN Clc1cnc(CNCCc2cc3ccccc3o2)s1 ZINC000349608308 1118826680 /nfs/dbraw/zinc/82/66/80/1118826680.db2.gz GOPBZXCKHRUKRA-UHFFFAOYSA-N 0 1 292.791 3.875 20 0 CHADMN CCCCc1noc([C@H](C)N[C@H]2CC3CCC2CC3)n1 ZINC000431089677 1118827017 /nfs/dbraw/zinc/82/70/17/1118827017.db2.gz ZUVONBBUKJNILK-ABXWRUBCSA-N 0 1 277.412 3.642 20 0 CHADMN Cc1[nH]ncc1CNc1cccc(OCCC(C)C)c1 ZINC000129452886 1118831088 /nfs/dbraw/zinc/83/10/88/1118831088.db2.gz XWWGJLLDLIRZGM-UHFFFAOYSA-N 0 1 273.380 3.755 20 0 CHADMN C[C@@H](C[NH2+]Cc1c(F)ccc([O-])c1F)c1ccc(F)cc1 ZINC000510873998 1118837255 /nfs/dbraw/zinc/83/72/55/1118837255.db2.gz WVCYDOGYHAVPCO-JTQLQIEISA-N 0 1 295.304 3.703 20 0 CHADMN Cc1ccc(CN[C@H]2CC(C)(C)c3ccccc32)nc1 ZINC000129470388 1118838940 /nfs/dbraw/zinc/83/89/40/1118838940.db2.gz BMAHPDAQLSRHMP-KRWDZBQOSA-N 0 1 266.388 3.902 20 0 CHADMN CC(C)c1cnc(CN2CCCSC[C@@H]2C2CC2)o1 ZINC000933912925 1118843104 /nfs/dbraw/zinc/84/31/04/1118843104.db2.gz PGVUVEGMCZYQAM-CYBMUJFWSA-N 0 1 280.437 3.516 20 0 CHADMN Cc1n[nH]cc1C[N@H+](C)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000639968517 1118845730 /nfs/dbraw/zinc/84/57/30/1118845730.db2.gz UDAZJERUAKSYKF-NSHDSACASA-N 0 1 295.333 3.513 20 0 CHADMN Cc1n[nH]cc1CN(C)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000639968517 1118845736 /nfs/dbraw/zinc/84/57/36/1118845736.db2.gz UDAZJERUAKSYKF-NSHDSACASA-N 0 1 295.333 3.513 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc(F)c(C)c2)s1 ZINC000891923922 1118849682 /nfs/dbraw/zinc/84/96/82/1118849682.db2.gz RBWYWCUYNSGYTF-UHFFFAOYSA-N 0 1 264.369 3.531 20 0 CHADMN [O-]c1cccc2c(N3CCCc4sccc4C3)cc[nH+]c12 ZINC000684572911 1118857273 /nfs/dbraw/zinc/85/72/73/1118857273.db2.gz YKNOMPMJJIKFRW-UHFFFAOYSA-N 0 1 296.395 3.955 20 0 CHADMN Cc1cccnc1CN1CCSC[C@@H]1c1ccccc1 ZINC000093174399 1118857851 /nfs/dbraw/zinc/85/78/51/1118857851.db2.gz MNAZYGZGJPIJDT-QGZVFWFLSA-N 0 1 284.428 3.680 20 0 CHADMN COC(C)(C)CNCc1c(Cl)cccc1Cl ZINC000133019179 1118858386 /nfs/dbraw/zinc/85/83/86/1118858386.db2.gz OUAVKIRKMXELLT-UHFFFAOYSA-N 0 1 262.180 3.508 20 0 CHADMN Clc1cccnc1CN1CCC2(CCSCC2)CC1 ZINC000639983221 1118860600 /nfs/dbraw/zinc/86/06/00/1118860600.db2.gz PMWRSMOSLAQSKZ-UHFFFAOYSA-N 0 1 296.867 3.844 20 0 CHADMN Cc1ccc(CNCc2cccc(C(F)(F)F)c2)nc1 ZINC000133552798 1118864196 /nfs/dbraw/zinc/86/41/96/1118864196.db2.gz PDURGVPOHZSOGI-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN Cc1noc(C)c1[C@H](C)CNc1cc[nH+]c2c([O-])cccc12 ZINC000684577799 1118865033 /nfs/dbraw/zinc/86/50/33/1118865033.db2.gz GKFFBFHYOZONCQ-SNVBAGLBSA-N 0 1 297.358 3.761 20 0 CHADMN [O-]c1cccc2c(N[C@@H]3CCC(F)(F)C3)cc[nH+]c12 ZINC000684578812 1118866075 /nfs/dbraw/zinc/86/60/75/1118866075.db2.gz UBEXCTUGPCSWHV-SECBINFHSA-N 0 1 264.275 3.540 20 0 CHADMN Fc1cc(F)cc(CN2CC[C@H](Nc3ccccc3)C2)c1 ZINC000092757610 1118880125 /nfs/dbraw/zinc/88/01/25/1118880125.db2.gz SGSPALJNNXUFIQ-KRWDZBQOSA-N 0 1 288.341 3.651 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc(C3CC3)s2)cc1 ZINC000535775685 1118885088 /nfs/dbraw/zinc/88/50/88/1118885088.db2.gz VDYUHHLCHTVNGQ-UHFFFAOYSA-N 0 1 272.417 3.961 20 0 CHADMN Cc1nocc1CN1Cc2cccc(C)c2CC1(C)C ZINC000449426146 1118890987 /nfs/dbraw/zinc/89/09/87/1118890987.db2.gz TURLDZVGVWNNKQ-UHFFFAOYSA-N 0 1 270.376 3.628 20 0 CHADMN CC[C@@H](CC(=O)Nc1ccc2c(C)[nH]nc2c1)C(C)C ZINC000535820581 1118898185 /nfs/dbraw/zinc/89/81/85/1118898185.db2.gz DQDNNUCDWKHWMJ-LBPRGKRZSA-N 0 1 273.380 3.882 20 0 CHADMN COC(=O)c1ccc(CN[C@@H](CC2CC2)c2ccccc2)o1 ZINC000610819258 1118898407 /nfs/dbraw/zinc/89/84/07/1118898407.db2.gz BFCLDMOJOIUHNG-INIZCTEOSA-N 0 1 299.370 3.697 20 0 CHADMN CCCCCC[C@@](C)(CCC)C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000176202215 1118907093 /nfs/dbraw/zinc/90/70/93/1118907093.db2.gz AWHCMQJVFBIYJO-XJKSGUPXSA-N 0 1 294.443 3.759 20 0 CHADMN Cc1cccc([C@H](NCc2ccnc(C)n2)C(C)(C)C)c1 ZINC000684619671 1118907582 /nfs/dbraw/zinc/90/75/82/1118907582.db2.gz JRHNAXOFLSARDH-KRWDZBQOSA-N 0 1 283.419 3.970 20 0 CHADMN CC(C)Oc1ccccc1CNc1ccc2c[nH]nc2c1 ZINC000037317175 1118915783 /nfs/dbraw/zinc/91/57/83/1118915783.db2.gz RDMTXGBZKXUTEC-UHFFFAOYSA-N 0 1 281.359 3.962 20 0 CHADMN Cc1cc2cc(CNCc3ccc(CO)cc3)oc2cc1C ZINC000647229563 1118917240 /nfs/dbraw/zinc/91/72/40/1118917240.db2.gz ZHSKKHJKSAGISV-UHFFFAOYSA-N 0 1 295.382 3.832 20 0 CHADMN CS[C@H]1CCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000449444896 1118919331 /nfs/dbraw/zinc/91/93/31/1118919331.db2.gz DZQNTABSLZCORH-LBPRGKRZSA-N 0 1 282.478 3.738 20 0 CHADMN FCC1CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC000449450164 1118924561 /nfs/dbraw/zinc/92/45/61/1118924561.db2.gz AWCODAQNYQEVCX-UHFFFAOYSA-N 0 1 259.727 3.661 20 0 CHADMN CCC(=O)CCN1CCc2cc(-c3ccccc3)oc2C1 ZINC000190300886 1128810803 /nfs/dbraw/zinc/81/08/03/1128810803.db2.gz FDPBIOWNUZZRCU-UHFFFAOYSA-N 0 1 283.371 3.674 20 0 CHADMN CC[C@@H](CSc1nc(-c2cccnc2)n[nH]1)CC(F)F ZINC000657245142 1118932398 /nfs/dbraw/zinc/93/23/98/1118932398.db2.gz VTHBRWHIRVOHNL-SECBINFHSA-N 0 1 298.362 3.640 20 0 CHADMN C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@@H]1C[C@]1(C)Br ZINC000892010243 1118936396 /nfs/dbraw/zinc/93/63/96/1118936396.db2.gz SCAQBRVIAUAMHX-OSMZGAPFSA-N 0 1 298.224 3.559 20 0 CHADMN CC(C)(C)c1coc(CN2CC[C@@H](c3ccco3)C2)n1 ZINC000892019266 1118938391 /nfs/dbraw/zinc/93/83/91/1118938391.db2.gz JKIKLWICOOBURZ-GFCCVEGCSA-N 0 1 274.364 3.555 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2cccc3c2OCC3)n1 ZINC000892053779 1118950847 /nfs/dbraw/zinc/95/08/47/1118950847.db2.gz JNMPNNZGGNQEMM-SFHVURJKSA-N 0 1 294.398 3.662 20 0 CHADMN CC1(C(=O)Nc2cccc(-c3nnc[nH]3)c2)CCCCCC1 ZINC000511020626 1118955460 /nfs/dbraw/zinc/95/54/60/1118955460.db2.gz YTPADIRSAWXBJB-UHFFFAOYSA-N 0 1 298.390 3.771 20 0 CHADMN CC(C)n1ccnc1CN[C@@H]1CCCc2ccccc21 ZINC000657286625 1118957813 /nfs/dbraw/zinc/95/78/13/1118957813.db2.gz QQFLZIJETBSIGR-MRXNPFEDSA-N 0 1 269.392 3.631 20 0 CHADMN CCCc1ccc(CN[C@@H](C)c2cncs2)cc1 ZINC000934194273 1118962583 /nfs/dbraw/zinc/96/25/83/1118962583.db2.gz BPVSDGKIYXSBHT-LBPRGKRZSA-N 0 1 260.406 3.946 20 0 CHADMN COC[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000062161086 1118964147 /nfs/dbraw/zinc/96/41/47/1118964147.db2.gz NPOPVNSTOMDDKD-NSHDSACASA-N 0 1 288.218 3.852 20 0 CHADMN COc1ccc([C@H]2CCCN2Cc2cnc(C3CC3)o2)cc1 ZINC000628117375 1128812733 /nfs/dbraw/zinc/81/27/33/1128812733.db2.gz FTCAQILCDQXAOD-QGZVFWFLSA-N 0 1 298.386 3.898 20 0 CHADMN COc1cc(C)nc(CN[C@H]2CCCc3ccc(C)cc32)c1 ZINC000342293286 1118969417 /nfs/dbraw/zinc/96/94/17/1118969417.db2.gz OOFRRSVIRRFIOH-IBGZPJMESA-N 0 1 296.414 3.874 20 0 CHADMN CCCc1nc(CN2[C@H](C)CCC[C@@H]2C)cs1 ZINC000342308042 1118972376 /nfs/dbraw/zinc/97/23/76/1118972376.db2.gz XLZTWOVGEIQZBZ-TXEJJXNPSA-N 0 1 252.427 3.859 20 0 CHADMN Cn1cc([C@@H](NCc2ccc(F)c(F)c2)C(C)(C)C)cn1 ZINC000342324695 1118978312 /nfs/dbraw/zinc/97/83/12/1118978312.db2.gz IXDFKTHKOLFXRI-OAHLLOKOSA-N 0 1 293.361 3.575 20 0 CHADMN COc1ccc([C@@H]2CCCN2Cc2cnc(C3CC3)o2)cc1 ZINC000628117374 1128813692 /nfs/dbraw/zinc/81/36/92/1128813692.db2.gz FTCAQILCDQXAOD-KRWDZBQOSA-N 0 1 298.386 3.898 20 0 CHADMN CC(C)Oc1ncccc1CN[C@H](C)c1ccccc1 ZINC000048760406 1118988688 /nfs/dbraw/zinc/98/86/88/1118988688.db2.gz WFQORFXCXGOSCN-CQSZACIVSA-N 0 1 270.376 3.720 20 0 CHADMN CC(C)(CF)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000472141271 1118992735 /nfs/dbraw/zinc/99/27/35/1118992735.db2.gz AKKUSVWDRYHHSV-UHFFFAOYSA-N 0 1 267.241 3.682 20 0 CHADMN CC(C)(CF)NCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000472144038 1118995237 /nfs/dbraw/zinc/99/52/37/1118995237.db2.gz LJUVTGAMKACIAL-UHFFFAOYSA-N 0 1 297.267 3.605 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccco1)CCCO2 ZINC000152039339 1118996424 /nfs/dbraw/zinc/99/64/24/1118996424.db2.gz MSGUHKHHYMMHGH-OAHLLOKOSA-N 0 1 257.333 3.592 20 0 CHADMN CN(Cc1cnc(C2CC2)o1)[C@@H]1CCc2ccccc21 ZINC000628128342 1128814515 /nfs/dbraw/zinc/81/45/15/1128814515.db2.gz AKBKAPXUPSFWJD-MRXNPFEDSA-N 0 1 268.360 3.671 20 0 CHADMN Cc1cccc(-c2noc(CN(C(C)C)C3CCC3)n2)c1 ZINC000119754853 1118998726 /nfs/dbraw/zinc/99/87/26/1118998726.db2.gz WHWWEJGGVFUYPT-UHFFFAOYSA-N 0 1 285.391 3.808 20 0 CHADMN CCCC1(CNCc2nc(C(C)(C)C)co2)CC1 ZINC000724427865 1118999533 /nfs/dbraw/zinc/99/95/33/1118999533.db2.gz BYULOIAESQFOKD-UHFFFAOYSA-N 0 1 250.386 3.642 20 0 CHADMN Cc1nc(CN(C2CC2)C2CCC(C)CC2)[nH]c1C ZINC000628131322 1128814710 /nfs/dbraw/zinc/81/47/10/1128814710.db2.gz WQEDCVSDMWMQGV-UHFFFAOYSA-N 0 1 261.413 3.570 20 0 CHADMN CC(C)(C)c1coc(CN[C@H]2CCCC3(CC3)C2)n1 ZINC000724434499 1119001696 /nfs/dbraw/zinc/00/16/96/1119001696.db2.gz RVBIOXPNXKYDGQ-LBPRGKRZSA-N 0 1 262.397 3.785 20 0 CHADMN CC[C@@H]1CCC[C@H]1NCc1nc(C(C)(C)C)co1 ZINC000724433417 1119002715 /nfs/dbraw/zinc/00/27/15/1119002715.db2.gz HYLWQTDEWCFZAO-VXGBXAGGSA-N 0 1 250.386 3.640 20 0 CHADMN CC[C@H]1C[C@H](NCc2nc3cc(Cl)ccc3s2)CO1 ZINC000657329665 1119006007 /nfs/dbraw/zinc/00/60/07/1119006007.db2.gz AUTQZZLCYSQHOX-QWRGUYRKSA-N 0 1 296.823 3.607 20 0 CHADMN CC[C@@H](NCc1cc(C(F)(F)F)nn1C)c1ccccc1 ZINC000657336184 1119008691 /nfs/dbraw/zinc/00/86/91/1119008691.db2.gz NMBXZPIYXKQKGF-CYBMUJFWSA-N 0 1 297.324 3.680 20 0 CHADMN COCc1csc(CNC2(c3ccc(F)cc3)CC2)c1 ZINC000657349848 1119019158 /nfs/dbraw/zinc/01/91/58/1119019158.db2.gz OHFYBRAHCQPQAX-UHFFFAOYSA-N 0 1 291.391 3.813 20 0 CHADMN Cc1ccc2nc(CNc3nccc4occc43)[nH]c2c1 ZINC000342462566 1119037739 /nfs/dbraw/zinc/03/77/39/1119037739.db2.gz YMKPCRYZDHAMBX-UHFFFAOYSA-N 0 1 278.315 3.625 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccccn1)c1cccc(OC)c1 ZINC000152334317 1119038680 /nfs/dbraw/zinc/03/86/80/1119038680.db2.gz MRHHIXVWZDLJOW-CZUORRHYSA-N 0 1 270.376 3.892 20 0 CHADMN CCc1cnc(CN(C)C[C@@H]2CCC[C@H](C)C2)s1 ZINC001167558340 1119039522 /nfs/dbraw/zinc/03/95/22/1119039522.db2.gz MDTXBZVJYIFVSP-QWHCGFSZSA-N 0 1 266.454 3.964 20 0 CHADMN CC(C)n1ccnc1CN[C@H](c1cccs1)C1CC1 ZINC000342472726 1119043668 /nfs/dbraw/zinc/04/36/68/1119043668.db2.gz QPYMVGAMOFCMNT-HNNXBMFYSA-N 0 1 275.421 3.766 20 0 CHADMN CO[C@H](CN[C@@H]1c2ccccc2CC[C@@H]1F)CC(C)C ZINC001207285238 1119047857 /nfs/dbraw/zinc/04/78/57/1119047857.db2.gz ZKOGBQQHWCASOZ-BHYGNILZSA-N 0 1 279.399 3.663 20 0 CHADMN CO[C@@H](CNCc1occc1C)c1ccccc1Cl ZINC000124929003 1119049565 /nfs/dbraw/zinc/04/95/65/1119049565.db2.gz ZSSQSSPCHOFAPW-HNNXBMFYSA-N 0 1 279.767 3.719 20 0 CHADMN C[C@@H](c1ccccn1)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000342492954 1119051153 /nfs/dbraw/zinc/05/11/53/1119051153.db2.gz BTANDIQIBFFXBR-ZDUSSCGKSA-N 0 1 290.794 3.807 20 0 CHADMN CCOCCN(CC)Cc1csc(C(F)(F)F)c1 ZINC000628156208 1128818503 /nfs/dbraw/zinc/81/85/03/1128818503.db2.gz GYXXJYKRHZYDCY-UHFFFAOYSA-N 0 1 281.343 3.625 20 0 CHADMN COCc1csc(CNCc2ccc(C)cc2OC)c1 ZINC000657395502 1119055618 /nfs/dbraw/zinc/05/56/18/1119055618.db2.gz VKUCYNXCBPFMAQ-UHFFFAOYSA-N 0 1 291.416 3.501 20 0 CHADMN CCOCCN(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511103666 1119059393 /nfs/dbraw/zinc/05/93/93/1119059393.db2.gz DIDJSVRLHRNROG-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN Cc1cc([C@@H](C)NCc2c(C)nc3ccccn32)c(C)o1 ZINC000044729813 1119060409 /nfs/dbraw/zinc/06/04/09/1119060409.db2.gz PAXABTJVHIITMK-GFCCVEGCSA-N 0 1 283.375 3.703 20 0 CHADMN CC(C)(C[NH2+]Cc1c(F)ccc([O-])c1F)c1cccs1 ZINC000511106471 1119062719 /nfs/dbraw/zinc/06/27/19/1119062719.db2.gz IIWXBMQJUUOXDX-UHFFFAOYSA-N 0 1 297.370 3.799 20 0 CHADMN CN(CCc1cccnc1)Cc1cccc(F)c1Cl ZINC001140562519 1119065322 /nfs/dbraw/zinc/06/53/22/1119065322.db2.gz CITZSVAVNAWZOJ-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN CC(C)(C)CC(=O)Nc1ccccc1Nc1ccncc1 ZINC000684850709 1119068419 /nfs/dbraw/zinc/06/84/19/1119068419.db2.gz FHFYCEFVSHMRLD-UHFFFAOYSA-N 0 1 283.375 3.622 20 0 CHADMN FCCC1C[C@H]2CC[C@@H](C1)N2Cc1ncccc1Cl ZINC000934455109 1119074568 /nfs/dbraw/zinc/07/45/68/1119074568.db2.gz KDCFJRJAJNMGGP-YHWZYXNKSA-N 0 1 282.790 3.838 20 0 CHADMN CCCN1CCC[C@@H]1C(=O)Nc1cccc(SC)c1C ZINC000342542915 1119075400 /nfs/dbraw/zinc/07/54/00/1119075400.db2.gz PVLZNPIISCGHBQ-CQSZACIVSA-N 0 1 292.448 3.530 20 0 CHADMN Cc1cc([C@H](C)NC(=O)c2n[nH]c3ccccc32)c(C)s1 ZINC000047493174 1119076038 /nfs/dbraw/zinc/07/60/38/1119076038.db2.gz FVEIVOOLZORTHO-JTQLQIEISA-N 0 1 299.399 3.732 20 0 CHADMN CC[C@@H](C)CN(C)Cc1cc(-c2cccs2)on1 ZINC000111254290 1119080010 /nfs/dbraw/zinc/08/00/10/1119080010.db2.gz MOFWXPVXOWWIKM-LLVKDONJSA-N 0 1 264.394 3.881 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc3ccc(C)cc3o2)n(C)n1 ZINC000342584779 1119091099 /nfs/dbraw/zinc/09/10/99/1119091099.db2.gz XGZJMNQYIQGLBV-ZDUSSCGKSA-N 0 1 283.375 3.634 20 0 CHADMN Cc1cccc(CN2CC[C@@H](C)C[C@H]2c2ccco2)n1 ZINC000342606056 1119099571 /nfs/dbraw/zinc/09/95/71/1119099571.db2.gz OXWHICVCEXXJAK-CJNGLKHVSA-N 0 1 270.376 3.956 20 0 CHADMN C[C@@H](NCc1cccn1C)c1cc2ccccc2o1 ZINC000049537693 1119102603 /nfs/dbraw/zinc/10/26/03/1119102603.db2.gz UTMZHMLBVHLEFH-GFCCVEGCSA-N 0 1 254.333 3.622 20 0 CHADMN CC/C=C\CCN1CCc2c(ncn2-c2ccccc2)C1 ZINC000342631943 1119107075 /nfs/dbraw/zinc/10/70/75/1119107075.db2.gz LFIBAVMUFXNODX-ARJAWSKDSA-N 0 1 281.403 3.587 20 0 CHADMN C[C@H](CF)NCc1cc2cc(Br)ccc2o1 ZINC000657466338 1119112837 /nfs/dbraw/zinc/11/28/37/1119112837.db2.gz GWDLVEVSSNPTAB-MRVPVSSYSA-N 0 1 286.144 3.643 20 0 CHADMN Cc1nnsc1CNCc1cccc(C2CCCC2)c1 ZINC000657471795 1119116505 /nfs/dbraw/zinc/11/65/05/1119116505.db2.gz IEONTNAMLFMDTG-UHFFFAOYSA-N 0 1 287.432 3.794 20 0 CHADMN c1nc(C2CC2)oc1CN1CCC(C2CCCC2)CC1 ZINC000628185966 1128822692 /nfs/dbraw/zinc/82/26/92/1128822692.db2.gz SLZPBVDPACPJDP-UHFFFAOYSA-N 0 1 274.408 3.954 20 0 CHADMN CCOc1cccc(CN(C)[C@@H](C)c2ccc(F)cc2)n1 ZINC000349749289 1119126154 /nfs/dbraw/zinc/12/61/54/1119126154.db2.gz PQFUKVFHLSSVGZ-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN C[C@@H]1CN(C[C@]2(C)CCCS2)C[C@H](c2ccsc2)O1 ZINC000628185942 1128823711 /nfs/dbraw/zinc/82/37/11/1128823711.db2.gz RHFSBEWKUUIQOM-YUELXQCFSA-N 0 1 297.489 3.796 20 0 CHADMN Cc1nc(CNCc2cccc3ccsc32)[nH]c1C ZINC000657500128 1119133930 /nfs/dbraw/zinc/13/39/30/1119133930.db2.gz HWZBDVLOFOPZAW-UHFFFAOYSA-N 0 1 271.389 3.531 20 0 CHADMN CCOc1ccc(CN[C@H]2CCCc3cccnc32)cc1 ZINC000684956269 1119142351 /nfs/dbraw/zinc/14/23/51/1119142351.db2.gz RHOPOPJDSLDEAC-KRWDZBQOSA-N 0 1 282.387 3.648 20 0 CHADMN c1cncc([C@H](N[C@H]2CCCc3cccnc32)C2CC2)c1 ZINC000684960137 1119143763 /nfs/dbraw/zinc/14/37/63/1119143763.db2.gz OCNXGVKELSIWHH-DLBZAZTESA-N 0 1 279.387 3.595 20 0 CHADMN c1ccc(C2(N[C@H]3CCCc4cccnc43)CC2)cc1 ZINC000684961143 1119144291 /nfs/dbraw/zinc/14/42/91/1119144291.db2.gz NWLVNTRXHBXNLU-INIZCTEOSA-N 0 1 264.372 3.738 20 0 CHADMN Cc1cccc2c1OCC[C@H]2N[C@H]1CCCc2cccnc21 ZINC000684962511 1119144489 /nfs/dbraw/zinc/14/44/89/1119144489.db2.gz UWGBDBLLXAUGAL-SJORKVTESA-N 0 1 294.398 3.881 20 0 CHADMN COc1ccccc1/C=C/CNC(C)(C)c1nccs1 ZINC000116381077 1119149946 /nfs/dbraw/zinc/14/99/46/1119149946.db2.gz VIDOXMGLDZFRNM-SOFGYWHQSA-N 0 1 288.416 3.690 20 0 CHADMN Cc1ccc(-c2cnc(CN(C)CC(C)C)o2)cc1 ZINC000075674055 1119178918 /nfs/dbraw/zinc/17/89/18/1119178918.db2.gz NCWFQBKXZTVDLX-UHFFFAOYSA-N 0 1 258.365 3.738 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000075885855 1119179829 /nfs/dbraw/zinc/17/98/29/1119179829.db2.gz YUFGSIMBYVQKGE-MRXNPFEDSA-N 0 1 299.418 3.709 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N(C)Cc1nnc(C2CC2)o1 ZINC000075885855 1119179832 /nfs/dbraw/zinc/17/98/32/1119179832.db2.gz YUFGSIMBYVQKGE-MRXNPFEDSA-N 0 1 299.418 3.709 20 0 CHADMN Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)Cc2ccon2)cc1 ZINC000075886561 1119179956 /nfs/dbraw/zinc/17/99/56/1119179956.db2.gz JQASQZIMEKTAGX-DLBZAZTESA-N 0 1 270.376 3.751 20 0 CHADMN Cc1ccc(-c2cnc(CN3C[C@@H]4[C@H](C3)C4(C)C)o2)cc1 ZINC000075768438 1119181207 /nfs/dbraw/zinc/18/12/07/1119181207.db2.gz PCRHIINYTCBVQW-GASCZTMLSA-N 0 1 282.387 3.738 20 0 CHADMN Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC(C)(C)C2)c(C)c1 ZINC000076013062 1119181238 /nfs/dbraw/zinc/18/12/38/1119181238.db2.gz BOWVCFJRPWGITO-OAHLLOKOSA-N 0 1 288.435 3.671 20 0 CHADMN CCOCc1ccc(CNCc2ccc(Cl)o2)cc1 ZINC000075776024 1119181712 /nfs/dbraw/zinc/18/17/12/1119181712.db2.gz IMWNEDUQQLGJAU-UHFFFAOYSA-N 0 1 279.767 3.759 20 0 CHADMN CN(Cc1csc(-c2ccccc2)n1)C1CCC1 ZINC000075841916 1119182135 /nfs/dbraw/zinc/18/21/35/1119182135.db2.gz CIIILLARXZJNEC-UHFFFAOYSA-N 0 1 258.390 3.794 20 0 CHADMN Cc1cc([C@@H](C)NCc2cc(C)nc(C)n2)c(C)s1 ZINC000342806913 1119183179 /nfs/dbraw/zinc/18/31/79/1119183179.db2.gz VEOJCIMGPSTEKK-LLVKDONJSA-N 0 1 275.421 3.623 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc(C)c(F)c(C)c2)nc(C)n1 ZINC000342807483 1119184105 /nfs/dbraw/zinc/18/41/05/1119184105.db2.gz ZYIUNOPDDLVWQE-CYBMUJFWSA-N 0 1 287.382 3.700 20 0 CHADMN Cc1cc(C)n(CC[N@@H+]2CC[C@H](C)C[C@@H]2c2ccco2)n1 ZINC000076184725 1119184116 /nfs/dbraw/zinc/18/41/16/1119184116.db2.gz KWHVGNFMOYPZBV-XJKSGUPXSA-N 0 1 287.407 3.566 20 0 CHADMN CC[C@H](NCc1cc(C)nc(C)n1)c1cccc(Cl)c1 ZINC000342808501 1119185600 /nfs/dbraw/zinc/18/56/00/1119185600.db2.gz CNUXRCCQQZPUCH-INIZCTEOSA-N 0 1 289.810 3.988 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc3c(c2)CCCC3)nc(C)n1 ZINC000342809819 1119187127 /nfs/dbraw/zinc/18/71/27/1119187127.db2.gz MCDGSYBSAWXZAJ-CQSZACIVSA-N 0 1 295.430 3.823 20 0 CHADMN CCSc1ccccc1[C@H](C)NCc1cc(C)nn1C ZINC000342811867 1119187678 /nfs/dbraw/zinc/18/76/78/1119187678.db2.gz WQIKATHXAOKSSZ-ZDUSSCGKSA-N 0 1 289.448 3.691 20 0 CHADMN Cc1ccc(OC2CCN(Cc3ccccn3)CC2)cc1C ZINC000077169377 1119189185 /nfs/dbraw/zinc/18/91/85/1119189185.db2.gz MMZBWDIFHJHURM-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN FC(F)(F)CC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000077251025 1119191048 /nfs/dbraw/zinc/19/10/48/1119191048.db2.gz JPSAGKURLKBFIC-LLVKDONJSA-N 0 1 298.308 3.960 20 0 CHADMN FC(F)(F)CC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000077248322 1119191065 /nfs/dbraw/zinc/19/10/65/1119191065.db2.gz LTDKQJFXTSZVBM-UHFFFAOYSA-N 0 1 295.308 3.604 20 0 CHADMN FC(F)(F)CCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000077248322 1119191066 /nfs/dbraw/zinc/19/10/66/1119191066.db2.gz LTDKQJFXTSZVBM-UHFFFAOYSA-N 0 1 295.308 3.604 20 0 CHADMN CC[C@H]1CCCN(Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000097489760 1119203500 /nfs/dbraw/zinc/20/35/00/1119203500.db2.gz APMGIPBYEHGAAH-LBPRGKRZSA-N 0 1 291.826 3.849 20 0 CHADMN C[C@H](c1ccco1)N(CCOC(C)(C)C)C1CC1 ZINC000119140236 1119205283 /nfs/dbraw/zinc/20/52/83/1119205283.db2.gz QWTDNJZOOTXLAD-GFCCVEGCSA-N 0 1 251.370 3.620 20 0 CHADMN CC(C)(C)n1cc(CN2CCC=C(c3ccccc3)C2)cn1 ZINC000342844535 1119206010 /nfs/dbraw/zinc/20/60/10/1119206010.db2.gz YROJRXCBEJSROE-UHFFFAOYSA-N 0 1 295.430 3.927 20 0 CHADMN CC(C)[C@H](NCc1cncs1)c1ccccc1F ZINC000657616380 1119208413 /nfs/dbraw/zinc/20/84/13/1119208413.db2.gz XOQMBVWBUQMKJD-AWEZNQCLSA-N 0 1 264.369 3.769 20 0 CHADMN CC(C)[C@H](NCc1ccncc1)c1ccccc1F ZINC000657616340 1119208380 /nfs/dbraw/zinc/20/83/80/1119208380.db2.gz WUWCKBQKKXIMEZ-INIZCTEOSA-N 0 1 258.340 3.708 20 0 CHADMN CC(C)[C@@H](NCc1cncs1)c1ccccc1F ZINC000657616381 1119208402 /nfs/dbraw/zinc/20/84/02/1119208402.db2.gz XOQMBVWBUQMKJD-CQSZACIVSA-N 0 1 264.369 3.769 20 0 CHADMN CCc1nn(C)cc1CN[C@H](c1ccccc1F)C(C)C ZINC000657614372 1119208957 /nfs/dbraw/zinc/20/89/57/1119208957.db2.gz BVRXKDQVOCVXHN-KRWDZBQOSA-N 0 1 289.398 3.609 20 0 CHADMN COc1cc(CN2CCC[C@H]2c2ccc(F)cc2)ccn1 ZINC000342860139 1119212885 /nfs/dbraw/zinc/21/28/85/1119212885.db2.gz NWDVRWXOOLZHOO-INIZCTEOSA-N 0 1 286.350 3.566 20 0 CHADMN Clc1cccc(Cl)c1CN[C@H]1COC2(CCC2)C1 ZINC000657629787 1119214402 /nfs/dbraw/zinc/21/44/02/1119214402.db2.gz JUJRNDQPBWPCJP-SNVBAGLBSA-N 0 1 286.202 3.795 20 0 CHADMN Fc1cccc(N2CCCC2)c1CNCc1cccs1 ZINC000119668496 1119219835 /nfs/dbraw/zinc/21/98/35/1119219835.db2.gz JNVYBLKADLPQST-UHFFFAOYSA-N 0 1 290.407 3.777 20 0 CHADMN CCc1ccc([C@H](C)NCc2cccc(N(C)C)c2)o1 ZINC000119945230 1119226484 /nfs/dbraw/zinc/22/64/84/1119226484.db2.gz DZMVFYMHKMSRPP-ZDUSSCGKSA-N 0 1 272.392 3.759 20 0 CHADMN CC(C)(C)c1ccc2c(c1)CN(Cc1ccncc1)CC2 ZINC000511203109 1119228050 /nfs/dbraw/zinc/22/80/50/1119228050.db2.gz ZPOUHEKUSGSXOS-UHFFFAOYSA-N 0 1 280.415 3.937 20 0 CHADMN C[C@H](N[C@@H](c1nccn1C)C1CC1)c1ccc(Cl)cc1 ZINC000353040393 1119237702 /nfs/dbraw/zinc/23/77/02/1119237702.db2.gz UDFLKJQYBGAPDI-XHDPSFHLSA-N 0 1 289.810 3.875 20 0 CHADMN Clc1ccc([C@H](Nc2ncnc3[nH]cnc32)C2CC2)cc1 ZINC000078600394 1119238597 /nfs/dbraw/zinc/23/85/97/1119238597.db2.gz GSQFWFXFBJXHPR-GFCCVEGCSA-N 0 1 299.765 3.570 20 0 CHADMN COCc1cnc(CN2CCC[C@@H]2CCC(C)C)s1 ZINC000342901262 1119238636 /nfs/dbraw/zinc/23/86/36/1119238636.db2.gz LBNWYNUUPIYPHQ-CYBMUJFWSA-N 0 1 282.453 3.690 20 0 CHADMN C[C@H](O)c1ccnc(Nc2ccnc(C(C)(C)C)c2)c1 ZINC001213164531 1119239332 /nfs/dbraw/zinc/23/93/32/1119239332.db2.gz SXTHJSSPDCOTTD-NSHDSACASA-N 0 1 271.364 3.571 20 0 CHADMN CN(Cc1nc2c(s1)CCCC2)C[C@@]1(C)CCCS1 ZINC000628171836 1119239873 /nfs/dbraw/zinc/23/98/73/1119239873.db2.gz OFZIPPFDMRCIHE-OAHLLOKOSA-N 0 1 296.505 3.739 20 0 CHADMN Cc1cccnc1[C@@H](N[C@@H](C)c1cncs1)C(C)C ZINC000120518436 1119242190 /nfs/dbraw/zinc/24/21/90/1119242190.db2.gz KXWLESQCQLFYAD-JSGCOSHPSA-N 0 1 275.421 3.894 20 0 CHADMN C[C@@]1(CNCc2c(F)c(F)cc(F)c2F)CCCS1 ZINC000628227679 1128831699 /nfs/dbraw/zinc/83/16/99/1128831699.db2.gz OEHRMIOEUMHYRE-ZDUSSCGKSA-N 0 1 293.329 3.618 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@H](C)c2cnc(C)nc2C)c1 ZINC000120577534 1119243462 /nfs/dbraw/zinc/24/34/62/1119243462.db2.gz URHJLNQCNCKLJU-CHWSQXEVSA-N 0 1 299.418 3.904 20 0 CHADMN Cn1ncc(Cl)c1Nc1ccnc(C(C)(C)C)c1 ZINC001213164682 1119243742 /nfs/dbraw/zinc/24/37/42/1119243742.db2.gz XOPABJSDNGINNG-UHFFFAOYSA-N 0 1 264.760 3.510 20 0 CHADMN CN1CCc2c(F)cc(-c3cncc(C4CC4)c3)cc2C1 ZINC001204597374 1119244480 /nfs/dbraw/zinc/24/44/80/1119244480.db2.gz GVEQZMIRBQAXNW-UHFFFAOYSA-N 0 1 282.362 3.753 20 0 CHADMN COCc1cnc(CN2CCC[C@@]3(CC=CCC3)C2)s1 ZINC000342915032 1119245971 /nfs/dbraw/zinc/24/59/71/1119245971.db2.gz CUSSXKGBQYGPEA-INIZCTEOSA-N 0 1 292.448 3.612 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1Cc1ncc(COC)s1 ZINC000342918814 1119247163 /nfs/dbraw/zinc/24/71/63/1119247163.db2.gz QMZWKGVAFZVPCS-TZMCWYRMSA-N 0 1 282.453 3.690 20 0 CHADMN C[C@H](N[C@H]1CCC(C)(C)c2ccccc21)c1ncc[nH]1 ZINC000138964358 1119252298 /nfs/dbraw/zinc/25/22/98/1119252298.db2.gz NEWYQGXJMWQCLP-WFASDCNBSA-N 0 1 269.392 3.873 20 0 CHADMN Fc1cccc(C[C@@H]2CCCN2C/C=C/Cl)c1 ZINC000052012018 1119262627 /nfs/dbraw/zinc/26/26/27/1119262627.db2.gz YDWCRVKBVJPGAN-RRFAQUSLSA-N 0 1 253.748 3.585 20 0 CHADMN Cc1csc(CN[C@H]2C[C@H](OC(C)(C)C)C23CCC3)n1 ZINC000657707521 1119263165 /nfs/dbraw/zinc/26/31/65/1119263165.db2.gz HTKNEMKGQVPUQW-STQMWFEESA-N 0 1 294.464 3.667 20 0 CHADMN Cc1ncc(CN[C@H]2c3ccccc3CCC[C@@H]2C)o1 ZINC000628239603 1128834087 /nfs/dbraw/zinc/83/40/87/1128834087.db2.gz XSBXTDRLLWRKHU-YVEFUNNKSA-N 0 1 270.376 3.786 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H]1CCCc2cccnc21 ZINC000091660261 1119278069 /nfs/dbraw/zinc/27/80/69/1119278069.db2.gz WSXFVSCYNAHKDY-BBRMVZONSA-N 0 1 282.387 3.818 20 0 CHADMN CO[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1O)C(C)C ZINC000075078326 1119280861 /nfs/dbraw/zinc/28/08/61/1119280861.db2.gz OFZFKXWMFFEVDR-RVWHDZECSA-N 0 1 290.190 3.789 20 0 CHADMN COc1ccccc1[C@@H]1CCCN1Cc1ccc(C)nc1 ZINC000153839823 1119290847 /nfs/dbraw/zinc/29/08/47/1119290847.db2.gz JLKKBLQDFYJSQP-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN C[C@@H](CCc1ccsc1)N[C@@H]1CCCC1(F)F ZINC000672622351 1119294728 /nfs/dbraw/zinc/29/47/28/1119294728.db2.gz YHRVGUIBDTXRSF-CMPLNLGQSA-N 0 1 259.365 3.847 20 0 CHADMN Cc1ccc(NC(=O)CN2C[C@H](C)CCC[C@@H]2C)c(F)c1 ZINC000525638155 1119295553 /nfs/dbraw/zinc/29/55/53/1119295553.db2.gz VDAZPCXBHWTPQP-KGLIPLIRSA-N 0 1 292.398 3.583 20 0 CHADMN CC[C@H](NCc1c(C)noc1C)c1cccc(OC)c1 ZINC000153919166 1119297108 /nfs/dbraw/zinc/29/71/08/1119297108.db2.gz KUSVINXTABCCSO-INIZCTEOSA-N 0 1 274.364 3.541 20 0 CHADMN Cc1nn(C)c(C)c1CNc1cc(C)nc2ccc(F)cc21 ZINC000123705185 1119301556 /nfs/dbraw/zinc/30/15/56/1119301556.db2.gz AOVQVRNGYUOZSZ-UHFFFAOYSA-N 0 1 298.365 3.645 20 0 CHADMN COCc1ccc(CNCc2ccc3ccccc3n2)cc1 ZINC000343085214 1119305419 /nfs/dbraw/zinc/30/54/19/1119305419.db2.gz NAJMXROWDSQROL-UHFFFAOYSA-N 0 1 292.382 3.671 20 0 CHADMN CCCN(CC1CCCCC1)C(=O)c1cc(C(C)C)[nH]n1 ZINC000617446942 1128836428 /nfs/dbraw/zinc/83/64/28/1128836428.db2.gz IGSYJVVVVODVCI-UHFFFAOYSA-N 0 1 291.439 3.966 20 0 CHADMN CC(C)[C@@H](O)[C@@H](NCc1ccccc1F)c1ccccc1 ZINC000657742490 1119314968 /nfs/dbraw/zinc/31/49/68/1119314968.db2.gz RQJZTWFPLHOGIK-ZWKOTPCHSA-N 0 1 287.378 3.674 20 0 CHADMN CC(=O)c1cccc(CN2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000649363875 1128837455 /nfs/dbraw/zinc/83/74/55/1128837455.db2.gz FZSSVMCWRBXKRB-LJQANCHMSA-N 0 1 295.382 3.932 20 0 CHADMN CCOCCN1CCC[C@H]1c1ccc(Br)cc1 ZINC000079943275 1119324759 /nfs/dbraw/zinc/32/47/59/1119324759.db2.gz AKZOEUWBNMMZCQ-AWEZNQCLSA-N 0 1 298.224 3.623 20 0 CHADMN Cc1nnc(CN2CCCC[C@H]2CCCc2ccccc2)o1 ZINC000125083078 1119325673 /nfs/dbraw/zinc/32/56/73/1119325673.db2.gz IBUWFHYBVPUAPA-KRWDZBQOSA-N 0 1 299.418 3.755 20 0 CHADMN CCc1ccccc1CN[C@@H](C)c1c(C)noc1C ZINC000092326863 1119327776 /nfs/dbraw/zinc/32/77/76/1119327776.db2.gz OVOAGANPSBSVGC-NSHDSACASA-N 0 1 258.365 3.705 20 0 CHADMN Fc1cccc(CN2CCC[C@@H]2c2ccncc2)c1 ZINC000125450073 1119332424 /nfs/dbraw/zinc/33/24/24/1119332424.db2.gz QUHLHJQPRPLVCC-MRXNPFEDSA-N 0 1 256.324 3.558 20 0 CHADMN CC(F)(F)CCNCc1c(F)cccc1Cl ZINC000294115468 1119333662 /nfs/dbraw/zinc/33/36/62/1119333662.db2.gz DFLDRIINLOLJOD-UHFFFAOYSA-N 0 1 251.679 3.614 20 0 CHADMN O=C1c2cccc3cccc(c23)N1CN1CCC[C@H]1C1CC1 ZINC000728563342 1119342516 /nfs/dbraw/zinc/34/25/16/1119342516.db2.gz SAUKTXIVPXDVAY-INIZCTEOSA-N 0 1 292.382 3.632 20 0 CHADMN COCc1ccc(CNCc2c(C)cc(C)cc2C)o1 ZINC000126286673 1119345470 /nfs/dbraw/zinc/34/54/70/1119345470.db2.gz BQEGWYJJWJGGCH-UHFFFAOYSA-N 0 1 273.376 3.641 20 0 CHADMN CC(C)Oc1ccc(CNCc2ccc(Cl)s2)cn1 ZINC000126284045 1119345949 /nfs/dbraw/zinc/34/59/49/1119345949.db2.gz RIOVRYXNPXUUGO-UHFFFAOYSA-N 0 1 296.823 3.874 20 0 CHADMN CCOc1cccc(CN(CC)CCC(F)(F)F)c1 ZINC000092737613 1119346720 /nfs/dbraw/zinc/34/67/20/1119346720.db2.gz QODCAOPCPRSHIQ-UHFFFAOYSA-N 0 1 275.314 3.860 20 0 CHADMN CCC[C@@H](NC[C@@H](OC)C1CC1)c1ncccc1Cl ZINC000926488405 1119353190 /nfs/dbraw/zinc/35/31/90/1119353190.db2.gz BYCICSNSXFDEHE-ZIAGYGMSSA-N 0 1 282.815 3.591 20 0 CHADMN Cc1ccccc1[C@@H](NCc1nccn1C)C(C)(C)C ZINC000080347459 1119355884 /nfs/dbraw/zinc/35/58/84/1119355884.db2.gz ZMONYNCLQRVHEV-MRXNPFEDSA-N 0 1 271.408 3.606 20 0 CHADMN CC[N@@H+](C/C=C\c1ccccc1)C1CCC(C(=O)[O-])CC1 ZINC000583511406 1119369877 /nfs/dbraw/zinc/36/98/77/1119369877.db2.gz CCLGHZGJPDDYDR-TWGQIWQCSA-N 0 1 287.403 3.665 20 0 CHADMN CO[C@H](CNCc1ncc(C(C)C)s1)C1CCCC1 ZINC000657768034 1119372959 /nfs/dbraw/zinc/37/29/59/1119372959.db2.gz TWIRZXWVVZKAJN-CYBMUJFWSA-N 0 1 282.453 3.561 20 0 CHADMN Cc1sc(NC(=O)C[N@@H+]2C[C@@H](C)CC2(C)C)c(C)c1C ZINC000472292302 1119374920 /nfs/dbraw/zinc/37/49/20/1119374920.db2.gz IAZYCKOBJIPFKQ-JTQLQIEISA-N 0 1 294.464 3.732 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCCCCC(=O)[O-] ZINC000583569663 1119378462 /nfs/dbraw/zinc/37/84/62/1119378462.db2.gz IOVUBWGVVBMMLH-GOEBONIOSA-N 0 1 275.392 3.509 20 0 CHADMN CC(C)CC1(NCc2ncc(C(F)(F)F)s2)CC1 ZINC000657775227 1119386912 /nfs/dbraw/zinc/38/69/12/1119386912.db2.gz PDMOBWPEDCMUJA-UHFFFAOYSA-N 0 1 278.343 3.830 20 0 CHADMN C[C@H](N[C@H]1CCCc2ccccc21)c1ccc(F)cn1 ZINC000147615949 1119387931 /nfs/dbraw/zinc/38/79/31/1119387931.db2.gz ZBOSJVJPOAEQMR-SJCJKPOMSA-N 0 1 270.351 3.949 20 0 CHADMN Fc1cc(CN2CCCCC23CC3)c2c(c1)CCCO2 ZINC001236630452 1128842922 /nfs/dbraw/zinc/84/29/22/1128842922.db2.gz RDYUCQYEYDPCSI-UHFFFAOYSA-N 0 1 275.367 3.669 20 0 CHADMN c1nc(CN2CCCC3(CCCC3)CC2)cs1 ZINC000661226541 1119394053 /nfs/dbraw/zinc/39/40/53/1119394053.db2.gz BWJLTYAFVISSJW-UHFFFAOYSA-N 0 1 250.411 3.689 20 0 CHADMN Cc1cc(NCC2(C(F)(F)F)CC2)c2cc(F)ccc2n1 ZINC000343353474 1119395556 /nfs/dbraw/zinc/39/55/56/1119395556.db2.gz SZNQAAVUCBJXBQ-UHFFFAOYSA-N 0 1 298.283 3.859 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2cncc(Br)c2)C1 ZINC000168124323 1119405115 /nfs/dbraw/zinc/40/51/15/1119405115.db2.gz SSHKZRYJOSNPDT-GFCCVEGCSA-N 0 1 297.240 3.712 20 0 CHADMN Cc1cc(CN2CCCC3(COC3)C2)cc(C(F)(F)F)c1 ZINC001143451216 1119405528 /nfs/dbraw/zinc/40/55/28/1119405528.db2.gz PATITBTVHIROFO-UHFFFAOYSA-N 0 1 299.336 3.626 20 0 CHADMN Cc1nocc1CN[C@@H](c1ccc(C)cc1)C1CC1 ZINC000294156592 1119413300 /nfs/dbraw/zinc/41/33/00/1119413300.db2.gz PCIFJNBXGHLBCD-INIZCTEOSA-N 0 1 256.349 3.532 20 0 CHADMN Cc1cccc2c1CCC[C@H]2NCc1cc2n(n1)CCCC2 ZINC000657799319 1119422894 /nfs/dbraw/zinc/42/28/94/1119422894.db2.gz ULSJUMOYNSHQFV-LJQANCHMSA-N 0 1 295.430 3.695 20 0 CHADMN CC[C@@H](C(=O)N(CC)c1cccc2ccccc21)N(C)C ZINC000583858726 1119424938 /nfs/dbraw/zinc/42/49/38/1119424938.db2.gz GPPMNBLQZJHPCI-INIZCTEOSA-N 0 1 284.403 3.533 20 0 CHADMN CSCCCN(C)Cc1nc(C(C)C)n2ccccc12 ZINC000583876793 1119428871 /nfs/dbraw/zinc/42/88/71/1119428871.db2.gz GVYXLNUJQVWKIZ-UHFFFAOYSA-N 0 1 291.464 3.643 20 0 CHADMN CC(C)CC[C@@H]1CCCC[N@H+]1Cc1nnc(C(C)C)o1 ZINC000158134196 1119434614 /nfs/dbraw/zinc/43/46/14/1119434614.db2.gz FAOMKNPZNNAWBX-AWEZNQCLSA-N 0 1 279.428 3.984 20 0 CHADMN CC(C)CC[C@@H]1CCCCN1Cc1nnc(C(C)C)o1 ZINC000158134196 1119434615 /nfs/dbraw/zinc/43/46/15/1119434615.db2.gz FAOMKNPZNNAWBX-AWEZNQCLSA-N 0 1 279.428 3.984 20 0 CHADMN Oc1ccc(Br)c(CN2CCCCCCC2)c1 ZINC000131984461 1119439700 /nfs/dbraw/zinc/43/97/00/1119439700.db2.gz LAWOIRFKIDAVSG-UHFFFAOYSA-N 0 1 298.224 3.921 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2sc(C)nc2C)s1 ZINC000127114612 1119441087 /nfs/dbraw/zinc/44/10/87/1119441087.db2.gz IZTPGGFAMQXFAG-HTQZYQBOSA-N 0 1 281.450 3.937 20 0 CHADMN C[C@@H]1CCC[C@@H](N(C)Cc2cccnc2Cl)C1 ZINC000052709520 1119441110 /nfs/dbraw/zinc/44/11/10/1119441110.db2.gz YDUVDUXGFDIQRG-DGCLKSJQSA-N 0 1 252.789 3.746 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2sc(C)nc2C)s1 ZINC000127114177 1119441326 /nfs/dbraw/zinc/44/13/26/1119441326.db2.gz IZTPGGFAMQXFAG-JGVFFNPUSA-N 0 1 281.450 3.937 20 0 CHADMN C[C@H]1CN(C(=O)c2cc(C3CCCCC3)[nH]n2)C(C)(C)C1 ZINC000536172655 1119442863 /nfs/dbraw/zinc/44/28/63/1119442863.db2.gz KADNBSJCULVXHK-GFCCVEGCSA-N 0 1 289.423 3.718 20 0 CHADMN CCCc1cc(C(=O)N2CCCC3(CCCC3)CC2)n[nH]1 ZINC000617566091 1128846438 /nfs/dbraw/zinc/84/64/38/1128846438.db2.gz UOGPRMMJAOILLW-UHFFFAOYSA-N 0 1 289.423 3.549 20 0 CHADMN Cc1oc(C[N@H+](C)[C@@H](C)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000583999693 1119451624 /nfs/dbraw/zinc/45/16/24/1119451624.db2.gz UWWKQDLGISTLKS-LBPRGKRZSA-N 0 1 287.359 3.788 20 0 CHADMN C[C@@H](O)[C@H](NCc1ccc(Cl)s1)c1ccccc1 ZINC000657815491 1119452680 /nfs/dbraw/zinc/45/26/80/1119452680.db2.gz HRUQPLGUPZQCAU-YGRLFVJLSA-N 0 1 281.808 3.613 20 0 CHADMN C[C@@H](N[C@H]1CCCn2nccc21)c1ccccc1Cl ZINC000657816288 1119453654 /nfs/dbraw/zinc/45/36/54/1119453654.db2.gz LXWSHINPFJFYCI-RISCZKNCSA-N 0 1 275.783 3.722 20 0 CHADMN Cc1nc(C[N@H+]2CC(C)(C)C[C@H]2c2ccccc2)[nH]c1C ZINC000628319513 1128847045 /nfs/dbraw/zinc/84/70/45/1128847045.db2.gz QOCNUPXBJJKWPG-INIZCTEOSA-N 0 1 283.419 4.000 20 0 CHADMN Cc1nc(CN2CC(C)(C)C[C@H]2c2ccccc2)[nH]c1C ZINC000628319513 1128847051 /nfs/dbraw/zinc/84/70/51/1128847051.db2.gz QOCNUPXBJJKWPG-INIZCTEOSA-N 0 1 283.419 4.000 20 0 CHADMN C[C@@H](CN[C@H](c1ncc[nH]1)c1ccc(F)cc1)CC(F)F ZINC000647319137 1119456853 /nfs/dbraw/zinc/45/68/53/1119456853.db2.gz NCAWTAZPODHBCP-YGRLFVJLSA-N 0 1 297.324 3.519 20 0 CHADMN C[C@@H](NCc1ccc(Br)cc1)c1cncs1 ZINC000132964011 1119460470 /nfs/dbraw/zinc/46/04/70/1119460470.db2.gz KKMYNEXOODLJHR-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN CC(C)[C@@H]1N(Cc2ccncc2Cl)CC12CC=CC2 ZINC000628322940 1128847382 /nfs/dbraw/zinc/84/73/82/1128847382.db2.gz SYPNYENHZXTHER-HNNXBMFYSA-N 0 1 276.811 3.912 20 0 CHADMN Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000343599950 1119467181 /nfs/dbraw/zinc/46/71/81/1119467181.db2.gz IJKAVVOBTPRQJW-GFCCVEGCSA-N 0 1 289.345 3.547 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CC[C@H](CC(F)(F)F)C1 ZINC000343599950 1119467183 /nfs/dbraw/zinc/46/71/83/1119467183.db2.gz IJKAVVOBTPRQJW-GFCCVEGCSA-N 0 1 289.345 3.547 20 0 CHADMN CC[N@@H+](Cc1ccoc1)Cc1ccc2cc[nH]c2c1 ZINC000628161396 1119468595 /nfs/dbraw/zinc/46/85/95/1119468595.db2.gz BOYDDFJAJRVJFH-UHFFFAOYSA-N 0 1 254.333 3.783 20 0 CHADMN CCN(Cc1ccoc1)Cc1ccc2cc[nH]c2c1 ZINC000628161396 1119468596 /nfs/dbraw/zinc/46/85/96/1119468596.db2.gz BOYDDFJAJRVJFH-UHFFFAOYSA-N 0 1 254.333 3.783 20 0 CHADMN CCC(C)(C)CC[N@@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000343616760 1119471920 /nfs/dbraw/zinc/47/19/20/1119471920.db2.gz IVCAVDHLNHFOHI-UHFFFAOYSA-N 0 1 293.436 3.655 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2CCCOc3ccccc32)c(C)n1 ZINC000133532045 1119472033 /nfs/dbraw/zinc/47/20/33/1119472033.db2.gz MOMCBPNOJODGDN-CXAGYDPISA-N 0 1 297.402 3.658 20 0 CHADMN C[C@H](c1ccccc1F)N(C)Cc1ccc(CO)cc1 ZINC000168736728 1119473576 /nfs/dbraw/zinc/47/35/76/1119473576.db2.gz CWGNJFLVVVQJIL-CYBMUJFWSA-N 0 1 273.351 3.511 20 0 CHADMN FCCCN[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000133706168 1119474163 /nfs/dbraw/zinc/47/41/63/1119474163.db2.gz HZOIXECFEWLCOK-HNNXBMFYSA-N 0 1 278.758 3.774 20 0 CHADMN c1coc([C@@H](N[C@@H]2COC3(CCC3)C2)c2ccccc2)c1 ZINC000657827351 1119474753 /nfs/dbraw/zinc/47/47/53/1119474753.db2.gz NCDVZRALBQZRCB-RDJZCZTQSA-N 0 1 283.371 3.670 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnn(C)c1C)c1ccccc1F ZINC000168755748 1119475116 /nfs/dbraw/zinc/47/51/16/1119475116.db2.gz DAYYZPALCKFVEG-MEDUHNTESA-N 0 1 275.371 3.670 20 0 CHADMN Fc1ccccc1[C@@H]1CCN(Cc2cnc(C3CC3)o2)C1 ZINC000628168507 1119477501 /nfs/dbraw/zinc/47/75/01/1119477501.db2.gz YRNNKJQLWLASPY-CYBMUJFWSA-N 0 1 286.350 3.681 20 0 CHADMN COc1cccc(C2(F)CCN(Cc3ccco3)CC2)c1 ZINC000343643916 1119478115 /nfs/dbraw/zinc/47/81/15/1119478115.db2.gz VJDILSYETJMFTO-UHFFFAOYSA-N 0 1 289.350 3.749 20 0 CHADMN Fc1ccc(CN[C@@H]2CCCc3c4ccccc4[nH]c32)nc1 ZINC000343644890 1119479220 /nfs/dbraw/zinc/47/92/20/1119479220.db2.gz BJKBKWKBNHEPLB-QGZVFWFLSA-N 0 1 295.361 3.869 20 0 CHADMN CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000565107842 1119483011 /nfs/dbraw/zinc/48/30/11/1119483011.db2.gz YJQDIFOVPJRQHE-ZDUSSCGKSA-N 0 1 281.421 3.847 20 0 CHADMN COc1cncc(CN2CCC[C@H]2/C=C\c2ccccc2)c1 ZINC000343680786 1119485002 /nfs/dbraw/zinc/48/50/02/1119485002.db2.gz AKPOXQUFBRHYRP-LPADLIQXSA-N 0 1 294.398 3.768 20 0 CHADMN c1coc(-c2cc(CN3CCCCCCC3)no2)c1 ZINC000052877593 1119486731 /nfs/dbraw/zinc/48/67/31/1119486731.db2.gz YHFACRWCVXZBJM-UHFFFAOYSA-N 0 1 260.337 3.701 20 0 CHADMN CSCCCN(C)Cc1nc(-c2ccccc2)cs1 ZINC000343688971 1119486744 /nfs/dbraw/zinc/48/67/44/1119486744.db2.gz ZUIMWXVXYIQEFL-UHFFFAOYSA-N 0 1 292.473 3.995 20 0 CHADMN Cc1ncc(CN2C[C@H](C)C[C@H]2c2cccc(F)c2)o1 ZINC000628180431 1119492683 /nfs/dbraw/zinc/49/26/83/1119492683.db2.gz PAFNCSRBSBFFET-BZNIZROVSA-N 0 1 274.339 3.705 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccccc3)[C@@H](C)C2)[nH]c1C ZINC000628183528 1119494391 /nfs/dbraw/zinc/49/43/91/1119494391.db2.gz FOIFIJSPTHUIBX-GUYCJALGSA-N 0 1 283.419 3.652 20 0 CHADMN FC(F)(F)[C@@H]1CN([C@@H]2C=CCCC2)C[C@H]1C(F)(F)F ZINC000076181168 1119497886 /nfs/dbraw/zinc/49/78/86/1119497886.db2.gz YTWDMIOWLSJGJW-OPRDCNLKSA-N 0 1 287.247 3.768 20 0 CHADMN COc1cc(CN2CC[C@H]3C[C@H]3C2)cc(C(F)(F)F)c1 ZINC000628349363 1128850007 /nfs/dbraw/zinc/85/00/07/1128850007.db2.gz HAKKWLJIFUQRHN-RYUDHWBXSA-N 0 1 285.309 3.556 20 0 CHADMN CCOc1ccc(C[C@@H](C)CN[C@@H](C)c2ncco2)cc1 ZINC000926557752 1119499305 /nfs/dbraw/zinc/49/93/05/1119499305.db2.gz DZMLPJFDJUZDNA-KGLIPLIRSA-N 0 1 288.391 3.603 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000081180370 1119510452 /nfs/dbraw/zinc/51/04/52/1119510452.db2.gz JEHDMADMUIVPOS-MLGOLLRUSA-N 0 1 285.391 3.604 20 0 CHADMN CCSCCN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000081605634 1119519976 /nfs/dbraw/zinc/51/99/76/1119519976.db2.gz WWAUEBRHQFPPSN-CYBMUJFWSA-N 0 1 255.814 3.840 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc2ccccc2o1 ZINC000262385685 1119520652 /nfs/dbraw/zinc/52/06/52/1119520652.db2.gz ZFIHEZBHUNUVGR-WQVCFCJDSA-N 0 1 299.370 3.651 20 0 CHADMN O=C(c1cccc2[nH]ncc21)N(CC1CC1)c1ccccc1 ZINC000084373201 1119526512 /nfs/dbraw/zinc/52/65/12/1119526512.db2.gz HRHVYPCHAAFGGQ-UHFFFAOYSA-N 0 1 291.354 3.620 20 0 CHADMN C[C@H](Cc1ccoc1)NCc1csc(-c2ccco2)n1 ZINC000084961351 1119531551 /nfs/dbraw/zinc/53/15/51/1119531551.db2.gz ABGFZOPDDGRBCO-LLVKDONJSA-N 0 1 288.372 3.717 20 0 CHADMN Cc1occc1CN[C@@H](C)c1ccc(C(F)F)nc1 ZINC000657858451 1119534197 /nfs/dbraw/zinc/53/41/97/1119534197.db2.gz YSDFRHRYKWONNM-VIFPVBQESA-N 0 1 266.291 3.771 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3ccccc31)CO2 ZINC000090452214 1119544348 /nfs/dbraw/zinc/54/43/48/1119544348.db2.gz JXLGEADZLLBDIS-SJORKVTESA-N 0 1 265.356 3.706 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1cccs1)CO2 ZINC000090452756 1119544748 /nfs/dbraw/zinc/54/47/48/1119544748.db2.gz QBOCBRCZLRZBSR-YPMHNXCESA-N 0 1 259.374 3.841 20 0 CHADMN C[C@H]1CCC[C@H](C)C1NCc1noc(-c2ccccc2)n1 ZINC000584436978 1119545720 /nfs/dbraw/zinc/54/57/20/1119545720.db2.gz LACTXKXVMIEKDU-STQMWFEESA-N 0 1 285.391 3.651 20 0 CHADMN COC[C@H](NCc1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000091071605 1119551976 /nfs/dbraw/zinc/55/19/76/1119551976.db2.gz KSFMCLQRICDLNB-KRWDZBQOSA-N 0 1 291.341 3.751 20 0 CHADMN CCc1cc(CN[C@@H](c2ccc(C)cc2)C2CC2)on1 ZINC000091346047 1119555410 /nfs/dbraw/zinc/55/54/10/1119555410.db2.gz PEOKGBAJZZKSNH-KRWDZBQOSA-N 0 1 270.376 3.786 20 0 CHADMN CCc1cc(CN[C@H](c2ccc(OC)cc2)C(C)C)on1 ZINC000091346052 1119555815 /nfs/dbraw/zinc/55/58/15/1119555815.db2.gz MGPQVWJZRBIHPV-KRWDZBQOSA-N 0 1 288.391 3.733 20 0 CHADMN CC1(C)CCC([NH2+]Cc2c(F)ccc([O-])c2F)CC1 ZINC000511255942 1119560703 /nfs/dbraw/zinc/56/07/03/1119560703.db2.gz CCOIMWNEAKZFAB-UHFFFAOYSA-N 0 1 269.335 3.729 20 0 CHADMN COc1ccc(CN(C)CCC2CC2)c(Cl)c1OC ZINC000092067237 1119561249 /nfs/dbraw/zinc/56/12/49/1119561249.db2.gz CTGLYGJPOACLFL-UHFFFAOYSA-N 0 1 283.799 3.589 20 0 CHADMN Fc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)cc1Cl ZINC000092072027 1119561484 /nfs/dbraw/zinc/56/14/84/1119561484.db2.gz VLFISQRRRWTOHY-GFCCVEGCSA-N 0 1 293.773 3.582 20 0 CHADMN Cc1ccsc1CN(C)Cc1ccc2c(n1)CCC2 ZINC000584455291 1119563850 /nfs/dbraw/zinc/56/38/50/1119563850.db2.gz KRYWXUUGHQYPNI-UHFFFAOYSA-N 0 1 272.417 3.572 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(F)cn2)c(C)c1 ZINC000092739831 1119564825 /nfs/dbraw/zinc/56/48/25/1119564825.db2.gz MRUZVQZWRDNVKR-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN CC(C)Oc1ccc(-c2ccc(-n3cncc3N)cc2)cc1 ZINC001212328049 1128854807 /nfs/dbraw/zinc/85/48/07/1128854807.db2.gz IRLNXBALVOFGJB-UHFFFAOYSA-N 0 1 293.370 3.909 20 0 CHADMN CCC1CCC(N(Cc2nnc(C3CC3)o2)C2CC2)CC1 ZINC000138361226 1119578244 /nfs/dbraw/zinc/57/82/44/1119578244.db2.gz QPTUXEWIIAOYDS-UHFFFAOYSA-N 0 1 289.423 3.880 20 0 CHADMN Cc1c2ccccc2oc1CN[C@@H]1CCCn2nccc21 ZINC000657884599 1119594196 /nfs/dbraw/zinc/59/41/96/1119594196.db2.gz WMKUFZHABDOZOA-CQSZACIVSA-N 0 1 281.359 3.562 20 0 CHADMN CCC[C@](C)(CC)c1nc(-c2ccn3cncc3c2)no1 ZINC000685380852 1119601265 /nfs/dbraw/zinc/60/12/65/1119601265.db2.gz DVHRXMAADJBDQA-INIZCTEOSA-N 0 1 284.363 3.852 20 0 CHADMN CSc1cccc(F)c1CNCc1ccc(O)cc1 ZINC000685436231 1119606855 /nfs/dbraw/zinc/60/68/55/1119606855.db2.gz QHDRXJJAKZWMAC-UHFFFAOYSA-N 0 1 277.364 3.543 20 0 CHADMN CCOC1CC2(C1)CCN(Cc1cscc1Cl)C2 ZINC000685445071 1119608739 /nfs/dbraw/zinc/60/87/39/1119608739.db2.gz UGVDFZBQNDMURJ-UHFFFAOYSA-N 0 1 285.840 3.793 20 0 CHADMN Clc1cscc1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000628422621 1128857521 /nfs/dbraw/zinc/85/75/21/1128857521.db2.gz CRRDECRQRHZZTD-MNOVXSKESA-N 0 1 273.854 3.871 20 0 CHADMN C[C@H](NC[C@H]1CCCCC1(F)F)c1nccs1 ZINC000294224226 1119622387 /nfs/dbraw/zinc/62/23/87/1119622387.db2.gz NUXVXFHIKIMIJP-VHSXEESVSA-N 0 1 260.353 3.619 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2ccc(OC(F)F)cc2)n1 ZINC000051574805 1119623052 /nfs/dbraw/zinc/62/30/52/1119623052.db2.gz UMDQRBYMZARBCO-LBPRGKRZSA-N 0 1 292.329 3.842 20 0 CHADMN C[C@H](CC(=O)Nc1ccc2nc[nH]c2c1)c1cccc(F)c1 ZINC000511303059 1119624600 /nfs/dbraw/zinc/62/46/00/1119624600.db2.gz WPLCYHIUQVNMPM-LLVKDONJSA-N 0 1 297.333 3.834 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H](C)c1cc2cnccc2o1 ZINC000657910876 1119628618 /nfs/dbraw/zinc/62/86/18/1119628618.db2.gz XRNQPDVWCLACCX-CHWSQXEVSA-N 0 1 281.359 3.943 20 0 CHADMN Cc1nocc1CN[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000294307608 1119632647 /nfs/dbraw/zinc/63/26/47/1119632647.db2.gz XGAYXZSVCJAZSY-VIFPVBQESA-N 0 1 284.281 3.853 20 0 CHADMN CC(C)(C)c1cc(CN2CC[C@H](C(C)(C)C)C2)no1 ZINC000685572487 1119632764 /nfs/dbraw/zinc/63/27/64/1119632764.db2.gz FJRCGOIJKBPPKB-LBPRGKRZSA-N 0 1 264.413 3.840 20 0 CHADMN Cc1cn[nH]c1CNc1cc(C)c(Br)c(C)c1 ZINC000685621523 1119639162 /nfs/dbraw/zinc/63/91/62/1119639162.db2.gz YFKBCFDGHNMYBY-UHFFFAOYSA-N 0 1 294.196 3.710 20 0 CHADMN Cc1nc2cc(N[C@H]3CCCSCC3)ccc2n1C ZINC000657967603 1119654879 /nfs/dbraw/zinc/65/48/79/1119654879.db2.gz PCRNWSWDZLXADH-LBPRGKRZSA-N 0 1 275.421 3.579 20 0 CHADMN CC(=O)Nc1cccc(C[N@H+](C)[C@H](C)c2ccccc2)c1 ZINC000101543438 1119656475 /nfs/dbraw/zinc/65/64/75/1119656475.db2.gz NYZCZGZICYBCPZ-CQSZACIVSA-N 0 1 282.387 3.838 20 0 CHADMN c1nnc(-c2ccccc2OCCCC2CCCC2)[nH]1 ZINC000165364311 1119657481 /nfs/dbraw/zinc/65/74/81/1119657481.db2.gz AIMFRUVGOMREQU-UHFFFAOYSA-N 0 1 271.364 3.821 20 0 CHADMN CCCCc1nc2ccc(NC(=O)[C@@H]3CC34CC4)cc2[nH]1 ZINC000421439960 1119667463 /nfs/dbraw/zinc/66/74/63/1119667463.db2.gz BIQOLCCNNZQLPI-LBPRGKRZSA-N 0 1 283.375 3.644 20 0 CHADMN CC[C@H](NCc1cc(Cl)cc(Cl)c1)c1cnn(C)c1 ZINC000658054397 1119676282 /nfs/dbraw/zinc/67/62/82/1119676282.db2.gz DSUCLNSRBAMWIL-AWEZNQCLSA-N 0 1 298.217 3.968 20 0 CHADMN CCC(F)(F)CNC[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000628435460 1128862239 /nfs/dbraw/zinc/86/22/39/1128862239.db2.gz MTXLXYFTGZUHSL-NSHDSACASA-N 0 1 289.341 3.648 20 0 CHADMN OC/C=C/CN[C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000658134704 1119686803 /nfs/dbraw/zinc/68/68/03/1119686803.db2.gz RKUZABJHQXJBPF-VWCDRPFISA-N 0 1 292.231 3.570 20 0 CHADMN C[C@@H](NC/C=C/CO)c1ccc(Cl)c(Cl)c1Cl ZINC000658132772 1119686888 /nfs/dbraw/zinc/68/68/88/1119686888.db2.gz MYUXCWTYJYRBGA-UFUPEUMYSA-N 0 1 294.609 3.846 20 0 CHADMN C[C@H]1CC(CN[C@H](c2ncc[nH]2)c2cccnc2)C[C@H](C)C1 ZINC000658126710 1119690059 /nfs/dbraw/zinc/69/00/59/1119690059.db2.gz HVAQAAURVGKGGS-CPUCHLNUSA-N 0 1 298.434 3.556 20 0 CHADMN C[C@@H](NCCO[C@H]1CC1(F)F)c1ccc(F)cc1Cl ZINC000658168564 1119696152 /nfs/dbraw/zinc/69/61/52/1119696152.db2.gz YXPSPQZNXGAHCL-PELKAZGASA-N 0 1 293.716 3.554 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@@H]1CCc2ccc(O)cc21 ZINC000658237238 1119710421 /nfs/dbraw/zinc/71/04/21/1119710421.db2.gz DCUFFURUHJJNAV-SJKOYZFVSA-N 0 1 283.371 3.739 20 0 CHADMN C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(Cl)cn1 ZINC000658240565 1119710641 /nfs/dbraw/zinc/71/06/41/1119710641.db2.gz ZKTWKQOHNBMSIG-HWPZZCPQSA-N 0 1 288.778 3.779 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(Cl)cn1 ZINC000658240570 1119711140 /nfs/dbraw/zinc/71/11/40/1119711140.db2.gz ZKTWKQOHNBMSIG-QLJPJBMISA-N 0 1 288.778 3.779 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H]2C(C)(C)C2(F)F)c(C)s1 ZINC000658281607 1119716004 /nfs/dbraw/zinc/71/60/04/1119716004.db2.gz QQRHBTWUNWERPN-OIBJUYFYSA-N 0 1 274.380 3.702 20 0 CHADMN CC(C)[C@H](O)[C@H](N[C@@H](C)c1ccoc1)c1ccccc1 ZINC000658288693 1119718455 /nfs/dbraw/zinc/71/84/55/1119718455.db2.gz QTQJQHCEVDBBSU-XKQJLSEDSA-N 0 1 273.376 3.688 20 0 CHADMN CC[C@H](NCC(F)(F)c1ccccc1C)C1CCOCC1 ZINC000658315830 1119722137 /nfs/dbraw/zinc/72/21/37/1119722137.db2.gz WKJPMTQJNMQOMU-INIZCTEOSA-N 0 1 297.389 3.882 20 0 CHADMN COC1(C[C@H](C)NCC(F)(F)C(C)(C)C)CCC1 ZINC000658336432 1119726200 /nfs/dbraw/zinc/72/62/00/1119726200.db2.gz DVKGDOCVPMJOBL-NSHDSACASA-N 0 1 263.372 3.605 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H]1CCCc2c(C)cccc21 ZINC000658337861 1119727098 /nfs/dbraw/zinc/72/70/98/1119727098.db2.gz AMDJWFDKVAMIFT-RHSMWYFYSA-N 0 1 283.419 3.940 20 0 CHADMN Cc1cccc2c1CCC[C@H]2N[C@H](C)c1cnccn1 ZINC000658338877 1119727751 /nfs/dbraw/zinc/72/77/51/1119727751.db2.gz OESOITBNJGWBKR-CZUORRHYSA-N 0 1 267.376 3.513 20 0 CHADMN Cc1cccc2c1CCC[C@H]2N[C@H](C)c1ccncn1 ZINC000658341166 1119728344 /nfs/dbraw/zinc/72/83/44/1119728344.db2.gz VQXOPBDVSIWKAH-CXAGYDPISA-N 0 1 267.376 3.513 20 0 CHADMN Fc1cccc(CN2CC(Cc3cccs3)C2)c1 ZINC000628479046 1128865242 /nfs/dbraw/zinc/86/52/42/1128865242.db2.gz XWLVHQFEZKZKNU-UHFFFAOYSA-N 0 1 261.365 3.562 20 0 CHADMN FC(F)(F)c1nc(CNCCc2cccs2)cs1 ZINC000892442316 1119740399 /nfs/dbraw/zinc/74/03/99/1119740399.db2.gz ZQKWODAFHFGQKT-UHFFFAOYSA-N 0 1 292.351 3.556 20 0 CHADMN Cc1cc(CNCc2ccc(C(C)C)cc2)sn1 ZINC000404487669 1119755724 /nfs/dbraw/zinc/75/57/24/1119755724.db2.gz DODBAIPBQMYCRO-UHFFFAOYSA-N 0 1 260.406 3.865 20 0 CHADMN COc1ccc(CN[C@H](c2ccc(OC)cc2)C2CC2)o1 ZINC000892479003 1119760996 /nfs/dbraw/zinc/76/09/96/1119760996.db2.gz UZRYRGKYLVEAMQ-KRWDZBQOSA-N 0 1 287.359 3.538 20 0 CHADMN C[C@@H]1C[C@@H](NCc2ccc(F)c3ccccc23)c2nccn21 ZINC000631152521 1119763276 /nfs/dbraw/zinc/76/32/76/1119763276.db2.gz QDDRISSDIDPGRE-SJKOYZFVSA-N 0 1 295.361 3.971 20 0 CHADMN C[C@@H]1C[C@H](NCc2ccc(F)c3ccccc23)c2nccn21 ZINC000631152508 1119763431 /nfs/dbraw/zinc/76/34/31/1119763431.db2.gz QDDRISSDIDPGRE-PXAZEXFGSA-N 0 1 295.361 3.971 20 0 CHADMN CC(C)=CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000177159480 1119770727 /nfs/dbraw/zinc/77/07/27/1119770727.db2.gz QBUXPBSCWSXKJF-QGZVFWFLSA-N 0 1 285.387 3.781 20 0 CHADMN CCc1ccc(CCC(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000511341259 1119774561 /nfs/dbraw/zinc/77/45/61/1119774561.db2.gz HXNSWBKSIIUODA-UHFFFAOYSA-N 0 1 293.370 3.697 20 0 CHADMN Cc1nn(C)c(CN[C@H](c2ccccc2)C2CC2)c1Cl ZINC000892484935 1119774682 /nfs/dbraw/zinc/77/46/82/1119774682.db2.gz CBMUTMYWFCTHFB-MRXNPFEDSA-N 0 1 289.810 3.623 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccc1)c1cn2c(n1)CCCC2 ZINC000924542181 1119781819 /nfs/dbraw/zinc/78/18/19/1119781819.db2.gz JSUGJKXJMLTMLY-ZIAGYGMSSA-N 0 1 269.392 3.631 20 0 CHADMN CC(C)[C@H](C(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000511349423 1119786256 /nfs/dbraw/zinc/78/62/56/1119786256.db2.gz FATPTWLDELACNP-KRWDZBQOSA-N 0 1 293.370 3.941 20 0 CHADMN C[C@H](C[S@](C)=O)N(C)Cc1ccc(C2CCCC2)cc1 ZINC000343823185 1119786688 /nfs/dbraw/zinc/78/66/88/1119786688.db2.gz PKIBHSNKUUBKSL-VLIAUNLRSA-N 0 1 293.476 3.543 20 0 CHADMN Clc1cccc([C@@H]2CC[C@H](NCc3ncccn3)C2)c1 ZINC000584481404 1119788464 /nfs/dbraw/zinc/78/84/64/1119788464.db2.gz NEPPSBLASOBOTC-HIFRSBDPSA-N 0 1 287.794 3.556 20 0 CHADMN CCC(O)(CC)CCNc1ccnc2cc(F)ccc21 ZINC000472431277 1119789751 /nfs/dbraw/zinc/78/97/51/1119789751.db2.gz KGUNSXJHBSZTPC-UHFFFAOYSA-N 0 1 276.355 3.727 20 0 CHADMN CC(=O)c1cc(CN2CC[C@@H](c3ccccc3)C2(C)C)on1 ZINC000570105184 1119798723 /nfs/dbraw/zinc/79/87/23/1119798723.db2.gz WZELZPBAAZTNSR-INIZCTEOSA-N 0 1 298.386 3.645 20 0 CHADMN C[C@@H](NC1CSC1)c1cc(Cl)ccc1Cl ZINC000309008228 1119799070 /nfs/dbraw/zinc/79/90/70/1119799070.db2.gz QTPAVQOHWOAXMU-SSDOTTSWSA-N 0 1 262.205 3.759 20 0 CHADMN Cc1ccsc1-c1noc([C@@H]2CCCN2C(C)C)n1 ZINC000924076238 1119803245 /nfs/dbraw/zinc/80/32/45/1119803245.db2.gz LKZPQBGBWHVVJS-NSHDSACASA-N 0 1 277.393 3.652 20 0 CHADMN CCC(CC)C[N@@H+](CC)[C@@H](C(=O)[O-])c1ccccc1C ZINC000570168710 1119806418 /nfs/dbraw/zinc/80/64/18/1119806418.db2.gz HHEFZYFRRLTPIC-MRXNPFEDSA-N 0 1 277.408 3.879 20 0 CHADMN COc1ccc([C@H](C)N(C)[C@H](C)c2cnc(C)nc2C)cc1 ZINC000637888577 1129234507 /nfs/dbraw/zinc/23/45/07/1129234507.db2.gz IDQBWYVAQLSKLQ-UONOGXRCSA-N 0 1 299.418 3.856 20 0 CHADMN c1ccc2c(c1)CCC[C@H]2CNCc1nnc(C2CC2)s1 ZINC000892506300 1119806986 /nfs/dbraw/zinc/80/69/86/1119806986.db2.gz BAKBSJRMZABISK-AWEZNQCLSA-N 0 1 299.443 3.625 20 0 CHADMN CC[C@@H](NCc1cc(OC)ccn1)c1ccc(C)cc1 ZINC000343827438 1119808252 /nfs/dbraw/zinc/80/82/52/1119808252.db2.gz QUZQAKTUOHAZGJ-QGZVFWFLSA-N 0 1 270.376 3.640 20 0 CHADMN Fc1cccc2c1OCC[C@H]2N[C@@H]1CCCc2occc21 ZINC000376045371 1119816743 /nfs/dbraw/zinc/81/67/43/1119816743.db2.gz NWGDOSJKYVAIAI-HUUCEWRRSA-N 0 1 287.334 3.910 20 0 CHADMN Cc1ncsc1CN[C@H]1CCOc2c(Cl)cccc21 ZINC001648924779 1119817735 /nfs/dbraw/zinc/81/77/35/1119817735.db2.gz RCTDPTNLXXLMDS-LBPRGKRZSA-N 0 1 294.807 3.718 20 0 CHADMN Clc1cc(CN2CCCC3(CCCC3)C2)ccn1 ZINC000782636120 1119818062 /nfs/dbraw/zinc/81/80/62/1119818062.db2.gz FLUJSKFJMXMWOX-UHFFFAOYSA-N 0 1 264.800 3.891 20 0 CHADMN Cc1c[nH]c(CN2CC(C)(C)C[C@H]2c2ccccc2)n1 ZINC000628319564 1119828385 /nfs/dbraw/zinc/82/83/85/1119828385.db2.gz VBRNTOVUNXKFSG-HNNXBMFYSA-N 0 1 269.392 3.691 20 0 CHADMN CO[C@@](C)(CN[C@@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000291268877 1119831926 /nfs/dbraw/zinc/83/19/26/1119831926.db2.gz QODCPZMBBOAGCD-OALUTQOASA-N 0 1 296.414 3.576 20 0 CHADMN Cc1noc(C)c1CN(C)[C@@H]1CCc2ccc(F)cc21 ZINC000177684278 1119843242 /nfs/dbraw/zinc/84/32/42/1119843242.db2.gz QDHPEFCJZVLRSK-MRXNPFEDSA-N 0 1 274.339 3.550 20 0 CHADMN c1ccc(-c2nnc(CN3CCC(C4CCC4)CC3)o2)cc1 ZINC000661376349 1119844497 /nfs/dbraw/zinc/84/44/97/1119844497.db2.gz IUEDSXVIVAGKIW-UHFFFAOYSA-N 0 1 297.402 3.749 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@@H]1CCCC2(CC2)C1 ZINC000613033729 1119853587 /nfs/dbraw/zinc/85/35/87/1119853587.db2.gz BLHUOBSIRFIVNZ-SNVBAGLBSA-N 0 1 279.767 3.955 20 0 CHADMN Cc1c[nH]nc1C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000685834847 1119854346 /nfs/dbraw/zinc/85/43/46/1119854346.db2.gz OAQCZVJDFVXGIY-AWEZNQCLSA-N 0 1 289.810 3.579 20 0 CHADMN Cc1c[nH]nc1CN1CCC[C@H]1Cc1ccccc1Cl ZINC000685834847 1119854353 /nfs/dbraw/zinc/85/43/53/1119854353.db2.gz OAQCZVJDFVXGIY-AWEZNQCLSA-N 0 1 289.810 3.579 20 0 CHADMN Cc1cn[nH]c1C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000685838236 1119856420 /nfs/dbraw/zinc/85/64/20/1119856420.db2.gz NFTKGKKNVAFJJE-LJQANCHMSA-N 0 1 295.430 3.588 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccn(C)n1)c1ccc(C)cc1 ZINC000414047095 1119865000 /nfs/dbraw/zinc/86/50/00/1119865000.db2.gz BKMQOVWHBPAYPG-UKRRQHHQSA-N 0 1 257.381 3.530 20 0 CHADMN FC(F)C1(NCC2Cc3ccccc3C2)CCCC1 ZINC000685847919 1119866966 /nfs/dbraw/zinc/86/69/66/1119866966.db2.gz PORVNBSAPYCXMT-UHFFFAOYSA-N 0 1 265.347 3.569 20 0 CHADMN Cc1cn[nH]c1CN1CC2(CCCC2)c2cccc(F)c21 ZINC000685848624 1119869357 /nfs/dbraw/zinc/86/93/57/1119869357.db2.gz AJPIQWJDPUOCMT-UHFFFAOYSA-N 0 1 285.366 3.689 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)C1CC1)c1cc2n(n1)CCC2 ZINC000414055783 1119870904 /nfs/dbraw/zinc/87/09/04/1119870904.db2.gz CZLSMOYQEAOKAU-ACJLOTCBSA-N 0 1 281.403 3.631 20 0 CHADMN C[C@@H](N[C@H]1CCCc2ccccc21)c1cc2n(n1)CCC2 ZINC000414061361 1119874259 /nfs/dbraw/zinc/87/42/59/1119874259.db2.gz ZDEIPBKENDQGOZ-DYVFJYSZSA-N 0 1 281.403 3.558 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cc2n(n1)CCC2)c1ccccc1 ZINC000414065825 1119877148 /nfs/dbraw/zinc/87/71/48/1119877148.db2.gz GLBHOIDEGCYDRR-XJKSGUPXSA-N 0 1 269.392 3.631 20 0 CHADMN C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccn(C)n1 ZINC000414066659 1119877981 /nfs/dbraw/zinc/87/79/81/1119877981.db2.gz HHECKGJDCGHVMQ-SJKOYZFVSA-N 0 1 287.382 3.751 20 0 CHADMN c1ccc(C2(CNCc3nnc(C4CC4)s3)CCC2)cc1 ZINC000892533533 1119885050 /nfs/dbraw/zinc/88/50/50/1119885050.db2.gz MIVXWZVVTJAMRJ-UHFFFAOYSA-N 0 1 299.443 3.627 20 0 CHADMN CCCCCc1cc(C(=O)N2[C@@H](C)CC[C@@H]2CC)n[nH]1 ZINC000613234566 1119889608 /nfs/dbraw/zinc/88/96/08/1119889608.db2.gz CSBDAXDAUDHJKI-JSGCOSHPSA-N 0 1 277.412 3.546 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)C1CCC1)c1ccn(C)n1 ZINC000414087087 1119890491 /nfs/dbraw/zinc/89/04/91/1119890491.db2.gz ZZCLBQAKXXJLSF-CXAGYDPISA-N 0 1 269.392 3.612 20 0 CHADMN Cc1ccc(-c2noc([C@@H]3CCCN3C(C)C)n2)cc1F ZINC000923784641 1119891914 /nfs/dbraw/zinc/89/19/14/1119891914.db2.gz XOMVADOULVMVJC-AWEZNQCLSA-N 0 1 289.354 3.729 20 0 CHADMN C[C@H](N[C@@H]1CC(C)(C)c2ccccc21)c1cc2n(n1)CCC2 ZINC000414103722 1119899315 /nfs/dbraw/zinc/89/93/15/1119899315.db2.gz YJBGQZMHUUAQDR-SCLBCKFNSA-N 0 1 295.430 3.903 20 0 CHADMN CC[C@H](N[C@H](C)c1noc(-c2ccccc2)n1)[C@H]1C[C@H]1C ZINC000414109964 1119902519 /nfs/dbraw/zinc/90/25/19/1119902519.db2.gz LFYBXDSGHXFJSR-UXOAXIEHSA-N 0 1 285.391 3.822 20 0 CHADMN COc1ccccc1[C@H](N[C@H](C)[C@H]1C[C@H]1C)c1ccccn1 ZINC000414113826 1119903921 /nfs/dbraw/zinc/90/39/21/1119903921.db2.gz YZPOEDJAIGVBFP-ZLHSVIROSA-N 0 1 296.414 3.814 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1C2CCC1CC2 ZINC000613402874 1119914887 /nfs/dbraw/zinc/91/48/87/1119914887.db2.gz LZBHJNUOQLWOQT-HIFPTAJRSA-N 0 1 292.810 3.602 20 0 CHADMN Cc1ccc(CN[C@@H]2c3cc(F)ccc3C[C@@H]2C)nc1C ZINC000414158938 1119919465 /nfs/dbraw/zinc/91/94/65/1119919465.db2.gz ATKRJSMYEDCBPN-SGTLLEGYSA-N 0 1 284.378 3.861 20 0 CHADMN Cc1cc(C)c([C@H](C)N[C@H](C)c2ccn(C)n2)cc1C ZINC000414175393 1119927210 /nfs/dbraw/zinc/92/72/10/1119927210.db2.gz IEPIVNYFSQUUDF-LSDHHAIUSA-N 0 1 271.408 3.757 20 0 CHADMN CCc1ccc([C@H](CC)N[C@H](C)c2ccn(C)n2)cc1 ZINC000414187617 1119932228 /nfs/dbraw/zinc/93/22/28/1119932228.db2.gz QEQNOTQUAMUPES-CJNGLKHVSA-N 0 1 271.408 3.784 20 0 CHADMN COCC[C@H](C)CN[C@@H](CCc1ccccc1)C(F)F ZINC000414203116 1119936582 /nfs/dbraw/zinc/93/65/82/1119936582.db2.gz NFSOLWSZPWBYNP-ZFWWWQNUSA-N 0 1 285.378 3.515 20 0 CHADMN CC(C)OCCN[C@@H](C)c1sccc1Br ZINC000134096876 1119938545 /nfs/dbraw/zinc/93/85/45/1119938545.db2.gz ILCDDWFYPCCNNT-VIFPVBQESA-N 0 1 292.242 3.586 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2nccn2C)c2ccccc12 ZINC000414213505 1119941861 /nfs/dbraw/zinc/94/18/61/1119941861.db2.gz UCYOHQABBBUOSS-AWEZNQCLSA-N 0 1 279.387 3.733 20 0 CHADMN CCC1CCN(CC(=O)Nc2ccccc2C(C)C)CC1 ZINC000613503095 1119945204 /nfs/dbraw/zinc/94/52/04/1119945204.db2.gz NTGIEWXYNUXYEB-UHFFFAOYSA-N 0 1 288.435 3.871 20 0 CHADMN Cc1cccc(CN(C)Cc2nc3ccccc3nc2C)c1 ZINC000613506179 1119946439 /nfs/dbraw/zinc/94/64/39/1119946439.db2.gz ZHPJDNHYGUIYOQ-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN CC[C@H](C)N(C)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000170760642 1119949474 /nfs/dbraw/zinc/94/94/74/1119949474.db2.gz XTMBTONZCXWJOF-JTQLQIEISA-N 0 1 291.782 3.601 20 0 CHADMN FC(F)(F)c1ccnc(CN[C@@H]2CCCC23CCCC3)n1 ZINC000414244536 1119955287 /nfs/dbraw/zinc/95/52/87/1119955287.db2.gz LJMOQUZLYAGCEX-LLVKDONJSA-N 0 1 299.340 3.698 20 0 CHADMN CCc1ncc(CN[C@H](C)c2cc(C)sc2C)cn1 ZINC000414274335 1119962970 /nfs/dbraw/zinc/96/29/70/1119962970.db2.gz URLDSVOJCZZFDA-LLVKDONJSA-N 0 1 275.421 3.568 20 0 CHADMN CCn1ccnc1NCc1cc(C)c(OC(F)F)c(C)c1 ZINC000414291621 1119968558 /nfs/dbraw/zinc/96/85/58/1119968558.db2.gz AGAPGFQDZGZEKN-UHFFFAOYSA-N 0 1 295.333 3.733 20 0 CHADMN C[C@H](CCC1CCCCC1)N[C@@H](C)c1csnn1 ZINC000414297843 1119971166 /nfs/dbraw/zinc/97/11/66/1119971166.db2.gz HQWWJZYWSPLBBV-NEPJUHHUSA-N 0 1 267.442 3.938 20 0 CHADMN C[C@@H](CCC1CCCCC1)N[C@@H](C)c1csnn1 ZINC000414297847 1119971513 /nfs/dbraw/zinc/97/15/13/1119971513.db2.gz HQWWJZYWSPLBBV-RYUDHWBXSA-N 0 1 267.442 3.938 20 0 CHADMN Cc1occc1CN[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000414303944 1119972845 /nfs/dbraw/zinc/97/28/45/1119972845.db2.gz OFWYGRHBLNAUMN-IAGOWNOFSA-N 0 1 289.350 3.737 20 0 CHADMN c1ccc2c(c1)CN(c1ccnc3ccccc31)CCN2 ZINC000685903807 1119972876 /nfs/dbraw/zinc/97/28/76/1119972876.db2.gz KOPRYLRMYGLVKV-UHFFFAOYSA-N 0 1 275.355 3.667 20 0 CHADMN CCn1ccnc1NCc1cnc(-c2ccc(C)o2)s1 ZINC000414300128 1119973258 /nfs/dbraw/zinc/97/32/58/1119973258.db2.gz LQHNUMDBMLAYEY-UHFFFAOYSA-N 0 1 288.376 3.540 20 0 CHADMN Cc1ccccc1-c1nc(CN2C[C@@H](C)CC2(C)C)no1 ZINC000472580421 1119974778 /nfs/dbraw/zinc/97/47/78/1119974778.db2.gz KVGBKJYPHWUHRE-LBPRGKRZSA-N 0 1 285.391 3.665 20 0 CHADMN CCOc1cccc([C@H](C)NCc2ccc(C)cn2)c1 ZINC000134255955 1119977637 /nfs/dbraw/zinc/97/76/37/1119977637.db2.gz RWEZTSCWQRNBRF-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN c1nc(C2CC2)sc1CNCc1cc2ccccc2[nH]1 ZINC000134257180 1119978314 /nfs/dbraw/zinc/97/83/14/1119978314.db2.gz OWUFKVFGPYOJTF-UHFFFAOYSA-N 0 1 283.400 3.792 20 0 CHADMN CCSc1ccc([C@H](C)NCc2cn(C)nc2C)cc1 ZINC000161947827 1119985835 /nfs/dbraw/zinc/98/58/35/1119985835.db2.gz YCAKOKKDWCUIJE-LBPRGKRZSA-N 0 1 289.448 3.691 20 0 CHADMN Clc1ccc(CN2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186451150 1119989623 /nfs/dbraw/zinc/98/96/23/1119989623.db2.gz VJRZQNHTSGKMMS-SFHVURJKSA-N 0 1 299.801 3.971 20 0 CHADMN c1coc([C@@H]2C[C@H]2N[C@@H](c2ncc[nH]2)C2CCCCC2)c1 ZINC000414340304 1119990742 /nfs/dbraw/zinc/99/07/42/1119990742.db2.gz GULLDQMJLHNNGB-IIAWOOMASA-N 0 1 285.391 3.770 20 0 CHADMN Fc1cc2c(c(F)c1F)[C@H](N[C@@H]1C[C@H]1c1ccco1)CC2 ZINC000414347334 1119993755 /nfs/dbraw/zinc/99/37/55/1119993755.db2.gz NCAIXCXSOMKJSW-YUSALJHKSA-N 0 1 293.288 3.830 20 0 CHADMN Cc1cccc2nc(NCc3[nH]nc4ccccc43)oc21 ZINC000685916957 1119993764 /nfs/dbraw/zinc/99/37/64/1119993764.db2.gz RGGDIWWUYWZAKH-UHFFFAOYSA-N 0 1 278.315 3.625 20 0 CHADMN COc1ccc(CN2CCC[C@@H](C)C2)c(C(F)(F)F)c1 ZINC001143471996 1119993957 /nfs/dbraw/zinc/99/39/57/1119993957.db2.gz OPUPZJONUGULKI-LLVKDONJSA-N 0 1 287.325 3.946 20 0 CHADMN Cc1cc(CNCc2ccc(F)cn2)ccc1C(F)(F)F ZINC000414375678 1120006626 /nfs/dbraw/zinc/00/66/26/1120006626.db2.gz FYUGVWLWKHVQIH-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Cc1occc1CN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000414380289 1120008849 /nfs/dbraw/zinc/00/88/49/1120008849.db2.gz IPKAHIYSAPBNKR-MRXNPFEDSA-N 0 1 299.370 3.696 20 0 CHADMN CSCc1ccc(CNCc2ccoc2C)cc1 ZINC000414433229 1120046269 /nfs/dbraw/zinc/04/62/69/1120046269.db2.gz AWTOPGGUEMDKBR-UHFFFAOYSA-N 0 1 261.390 3.741 20 0 CHADMN Cc1c[nH]c(CN2CCSC[C@@H]2c2ccccc2)c1C ZINC001140862623 1120047550 /nfs/dbraw/zinc/04/75/50/1120047550.db2.gz IKWJQIFLFYWDPL-QGZVFWFLSA-N 0 1 286.444 3.922 20 0 CHADMN Cc1nc(CN2CCC[C@H](C(C)C)CC2)oc1C ZINC000114729490 1120050229 /nfs/dbraw/zinc/05/02/29/1120050229.db2.gz AYYUCZWRBMBHML-AWEZNQCLSA-N 0 1 250.386 3.550 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cccc(O)c2)cc1F ZINC000106410113 1120053335 /nfs/dbraw/zinc/05/33/35/1120053335.db2.gz GDMNGOBOWHRQAV-GFCCVEGCSA-N 0 1 259.324 3.691 20 0 CHADMN CSc1cccc(-n2c(N)nc3ccc(C)cc32)c1 ZINC000094660672 1120053472 /nfs/dbraw/zinc/05/34/72/1120053472.db2.gz JMPBFGZVRNFBKP-UHFFFAOYSA-N 0 1 269.373 3.638 20 0 CHADMN COCC1(CN2CCc3c(F)cc(F)cc3[C@@H]2C)CCC1 ZINC000361315282 1120055014 /nfs/dbraw/zinc/05/50/14/1120055014.db2.gz TXHOCNWHXJOPMN-LBPRGKRZSA-N 0 1 295.373 3.701 20 0 CHADMN CC(=CC(=O)Nc1ccc(-c2nc(C)c(C)[nH]2)cc1)C1CC1 ZINC000921666333 1120061476 /nfs/dbraw/zinc/06/14/76/1120061476.db2.gz ZMEKWHYCRHSCFC-ZHACJKMWSA-N 0 1 295.386 3.988 20 0 CHADMN Cc1ccc(-c2nc(CNC3CC(C)C3)co2)cc1 ZINC000085331490 1120062578 /nfs/dbraw/zinc/06/25/78/1120062578.db2.gz HNTPRPAYQWGFPV-UHFFFAOYSA-N 0 1 256.349 3.538 20 0 CHADMN CCN(Cc1csc(Nc2ccccc2)n1)C(C)C ZINC000613567201 1120066818 /nfs/dbraw/zinc/06/68/18/1120066818.db2.gz HDSHIBUOUSHJJU-UHFFFAOYSA-N 0 1 275.421 3.539 20 0 CHADMN CCN(Cc1coc(-c2ccc(C)cc2)n1)C(C)C ZINC000613570188 1120066902 /nfs/dbraw/zinc/06/69/02/1120066902.db2.gz NQVVQUUUJPVFOY-UHFFFAOYSA-N 0 1 258.365 3.880 20 0 CHADMN CCc1nc(CN(C)C[C@@H](C)CC(C)C)cs1 ZINC000684999993 1120069105 /nfs/dbraw/zinc/06/91/05/1120069105.db2.gz ACWGKCXTAUQYQU-LBPRGKRZSA-N 0 1 254.443 3.820 20 0 CHADMN CCN(Cc1cccc(C)n1)[C@H](C)c1cccc(O)c1 ZINC000348539342 1120070553 /nfs/dbraw/zinc/07/05/53/1120070553.db2.gz MDVNDNGVDUBQOF-CQSZACIVSA-N 0 1 270.376 3.679 20 0 CHADMN C[C@@H]1CCCN(Cn2c3ccccc3oc2=S)C1 ZINC000058584158 1120071322 /nfs/dbraw/zinc/07/13/22/1120071322.db2.gz QOCFNZQPEODSQN-LLVKDONJSA-N 0 1 262.378 3.653 20 0 CHADMN COc1ccccc1C(C)(C)NCc1cccc2c1OCC2 ZINC000921674580 1120076998 /nfs/dbraw/zinc/07/69/98/1120076998.db2.gz ZEVSSLDBNZDJNY-UHFFFAOYSA-N 0 1 297.398 3.655 20 0 CHADMN Cc1cc(CN2CC=C(c3c[nH]c4ccccc43)CC2)on1 ZINC000613583014 1120082757 /nfs/dbraw/zinc/08/27/57/1120082757.db2.gz FNLGQPQGMFNSHC-UHFFFAOYSA-N 0 1 293.370 3.754 20 0 CHADMN Cc1nc(CN(CCc2nccs2)C(C)C)sc1C ZINC000179052294 1120090480 /nfs/dbraw/zinc/09/04/80/1120090480.db2.gz WFMKNXSQSHTGCU-UHFFFAOYSA-N 0 1 295.477 3.670 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)N(Cn3cc(Cl)cn3)C2)cc1 ZINC000782954330 1120091029 /nfs/dbraw/zinc/09/10/29/1120091029.db2.gz NCOIAGUSUNHSNH-ZFWWWQNUSA-N 0 1 289.810 3.680 20 0 CHADMN CCC(CC)[C@H](O)CN[C@H](c1ccccc1)c1ccccn1 ZINC000180521773 1120099927 /nfs/dbraw/zinc/09/99/27/1120099927.db2.gz BSCQSLUDMGGZLD-RTBURBONSA-N 0 1 298.430 3.558 20 0 CHADMN CCc1nnc(CNCCc2ccc3ccccc3c2)s1 ZINC000892703081 1120102827 /nfs/dbraw/zinc/10/28/27/1120102827.db2.gz JCDFFQKAIRNAGS-UHFFFAOYSA-N 0 1 297.427 3.586 20 0 CHADMN COc1ccc2c(c1)CC[C@H]2NCc1nc(C)c(C)s1 ZINC000631584902 1120103114 /nfs/dbraw/zinc/10/31/14/1120103114.db2.gz DWNCRHBUXHMPFV-OAHLLOKOSA-N 0 1 288.416 3.546 20 0 CHADMN CN(C(=O)c1ccc(Cl)cc1O)c1ccc(F)c(F)c1 ZINC000098106139 1120107143 /nfs/dbraw/zinc/10/71/43/1120107143.db2.gz CAQYVUCICRCDOS-UHFFFAOYSA-N 0 1 297.688 3.600 20 0 CHADMN CC(C)c1cnc(CN[C@@H]2C[C@H]2c2ccco2)s1 ZINC000414580169 1120108458 /nfs/dbraw/zinc/10/84/58/1120108458.db2.gz JJVGTZGSYVYPCZ-GHMZBOCLSA-N 0 1 262.378 3.505 20 0 CHADMN N#C[C@H](C(=O)C[C@@H]1C=CCCC1)c1cnc2ccccc2n1 ZINC000190911653 1128890797 /nfs/dbraw/zinc/89/07/97/1128890797.db2.gz YYBRFEZPISUGQQ-KGLIPLIRSA-N 0 1 291.354 3.552 20 0 CHADMN COc1ccc(C2(N[C@H](C)c3cncc(C)c3)CC2)cc1 ZINC000343838502 1120108956 /nfs/dbraw/zinc/10/89/56/1120108956.db2.gz JFXGJPFKNFEZFK-CQSZACIVSA-N 0 1 282.387 3.739 20 0 CHADMN CN(Cc1noc(-c2ccsc2)n1)C1CCCCCC1 ZINC000192667466 1120110087 /nfs/dbraw/zinc/11/00/87/1120110087.db2.gz OXOTZBLWQLIFNO-UHFFFAOYSA-N 0 1 291.420 3.953 20 0 CHADMN CCCc1ccc(CNc2cccc3[nH]nnc32)cc1 ZINC001168635317 1120110536 /nfs/dbraw/zinc/11/05/36/1120110536.db2.gz GMHNFDQRXPWXPS-UHFFFAOYSA-N 0 1 266.348 3.523 20 0 CHADMN O=C([O-])CC[N@H+](Cc1ccccc1)CC1CCCCCC1 ZINC000659790903 1120110516 /nfs/dbraw/zinc/11/05/16/1120110516.db2.gz ZTXSDURBUVQYME-UHFFFAOYSA-N 0 1 289.419 3.934 20 0 CHADMN O=C([O-])[C@H]1CC[C@@H](c2ccccc2)[N@H+]1CCCC1CCC1 ZINC000659794027 1120112456 /nfs/dbraw/zinc/11/24/56/1120112456.db2.gz IDJGOKNREDOVNR-DLBZAZTESA-N 0 1 287.403 3.857 20 0 CHADMN Cc1cc(CN(C(C)C)[C@@H](C)c2ccccc2)nn1C ZINC000428834289 1120113158 /nfs/dbraw/zinc/11/31/58/1120113158.db2.gz MARYFCJQXHBMSV-HNNXBMFYSA-N 0 1 271.408 3.700 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000659803199 1120113428 /nfs/dbraw/zinc/11/34/28/1120113428.db2.gz GBFMZARXSHIUBY-HZPDHXFCSA-N 0 1 281.440 3.922 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(C(=O)[O-])cc2F)[C@@H]2CCC[C@H]21 ZINC000393458797 1120115637 /nfs/dbraw/zinc/11/56/37/1120115637.db2.gz ITFDXZMYHXAXEG-UKRRQHHQSA-N 0 1 291.366 3.534 20 0 CHADMN COc1cc(CN(C)[C@H]2CCCc3ccccc32)sn1 ZINC000659817047 1120116512 /nfs/dbraw/zinc/11/65/12/1120116512.db2.gz GTICUYYWWVSBAK-HNNXBMFYSA-N 0 1 288.416 3.661 20 0 CHADMN CC[C@H](CC(F)F)CN1CCn2cccc2[C@H]1C ZINC000659822260 1120117672 /nfs/dbraw/zinc/11/76/72/1120117672.db2.gz MBIUWYSBAPYZFY-VXGBXAGGSA-N 0 1 256.340 3.546 20 0 CHADMN CC(C)Oc1ccnc(CN(C)[C@H]2CCc3ccccc32)c1 ZINC000649485020 1128891477 /nfs/dbraw/zinc/89/14/77/1128891477.db2.gz VTBXXPFPDUOFOB-IBGZPJMESA-N 0 1 296.414 3.988 20 0 CHADMN CC(C)CN(C)Cc1cscc1Br ZINC000308130270 1120121360 /nfs/dbraw/zinc/12/13/60/1120121360.db2.gz AJLDDYRFWOMNEG-UHFFFAOYSA-N 0 1 262.216 3.598 20 0 CHADMN Cc1ccc(C)c(N[C@@H]2CCNc3ccccc32)n1 ZINC001168638732 1120123078 /nfs/dbraw/zinc/12/30/78/1120123078.db2.gz MNIFHAMTPKYTCY-OAHLLOKOSA-N 0 1 253.349 3.667 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000378736743 1120125915 /nfs/dbraw/zinc/12/59/15/1120125915.db2.gz NHZIVNMSVDBCLP-STQMWFEESA-N 0 1 293.432 3.765 20 0 CHADMN CC(C)C[C@H](N[C@@H](C)c1ncc[nH]1)c1cccs1 ZINC000353392315 1120128427 /nfs/dbraw/zinc/12/84/27/1120128427.db2.gz FQQODHQTCMAIIC-RYUDHWBXSA-N 0 1 263.410 3.909 20 0 CHADMN Cc1cc2nccn2cc1N[C@H]1CCNc2ccccc21 ZINC001168643536 1120133216 /nfs/dbraw/zinc/13/32/16/1120133216.db2.gz DRIRAKZMVNQNEN-HNNXBMFYSA-N 0 1 278.359 3.612 20 0 CHADMN CC[C@H](CC(F)F)CN1CCO[C@@H](c2ccccc2)C1 ZINC000659835233 1120139923 /nfs/dbraw/zinc/13/99/23/1120139923.db2.gz APHVNPITBDYGGG-UKRRQHHQSA-N 0 1 283.362 3.741 20 0 CHADMN Brc1ccc(CN2C[C@@H]3CCCC[C@H]3C2)o1 ZINC000378909282 1120141192 /nfs/dbraw/zinc/14/11/92/1120141192.db2.gz IHYVNRURPICDDV-QWRGUYRKSA-N 0 1 284.197 3.664 20 0 CHADMN CC(C)=CCC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000659837589 1120143749 /nfs/dbraw/zinc/14/37/49/1120143749.db2.gz CDTKNMMVGZUISN-UHFFFAOYSA-N 0 1 281.403 3.587 20 0 CHADMN CC(C)(CO)[C@@H](NCC=C(Cl)Cl)c1ccccc1 ZINC000851994151 1120148592 /nfs/dbraw/zinc/14/85/92/1120148592.db2.gz WUNLYLGCFIKCBR-ZDUSSCGKSA-N 0 1 288.218 3.655 20 0 CHADMN Cc1ccc2cc(CNCc3ccc(C)c(C)n3)ccc2n1 ZINC000313807893 1120151024 /nfs/dbraw/zinc/15/10/24/1120151024.db2.gz AQOYZWSKKTXWSS-UHFFFAOYSA-N 0 1 291.398 3.845 20 0 CHADMN Cc1ccc(CNCc2c(C)cccc2C)nc1C ZINC000313888047 1120156216 /nfs/dbraw/zinc/15/62/16/1120156216.db2.gz DIBKUCRRXVZWSR-UHFFFAOYSA-N 0 1 254.377 3.605 20 0 CHADMN Cc1c2nc[nH]c2ccc1N[C@@H]1CCNc2ccccc21 ZINC001168647499 1120156710 /nfs/dbraw/zinc/15/67/10/1120156710.db2.gz XHKBRXZLWZUKQG-OAHLLOKOSA-N 0 1 278.359 3.840 20 0 CHADMN Cc1cccc([C@@H](C)NCc2ccc(C)c(C)n2)c1 ZINC000313927149 1120157985 /nfs/dbraw/zinc/15/79/85/1120157985.db2.gz LYSCYGSLJDZGBN-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cnn(CC3CCC3)c1)CC2 ZINC000921704605 1120158009 /nfs/dbraw/zinc/15/80/09/1120158009.db2.gz MHEOWXJNVMOILT-SFHVURJKSA-N 0 1 299.393 3.599 20 0 CHADMN Cc1ccc(CNCc2ccc(C)c(C)n2)c(C)c1 ZINC000313951014 1120160250 /nfs/dbraw/zinc/16/02/50/1120160250.db2.gz PTEVDWIGWABSOX-UHFFFAOYSA-N 0 1 254.377 3.605 20 0 CHADMN Cc1cc(CNC(C)(C)c2cccc(F)c2)cnc1F ZINC000892954983 1120180834 /nfs/dbraw/zinc/18/08/34/1120180834.db2.gz GAMVIKFMWKXRDZ-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN Cc1cc(CNCc2ccc3c(c2)C[C@H](C)O3)c(C)o1 ZINC000921741449 1120187520 /nfs/dbraw/zinc/18/75/20/1120187520.db2.gz VPQWUXTYYROFDA-LBPRGKRZSA-N 0 1 271.360 3.510 20 0 CHADMN Cc1nc(C)c(CNCc2ccc(C(C)(C)C)cc2)o1 ZINC000312659362 1120188728 /nfs/dbraw/zinc/18/87/28/1120188728.db2.gz ZOXUTFDHFWGOSD-UHFFFAOYSA-N 0 1 272.392 3.879 20 0 CHADMN CC[N@@H+](Cc1cc(C)nc(C)n1)[C@H](C)c1cccc(OC)c1 ZINC000659852548 1120191625 /nfs/dbraw/zinc/19/16/25/1120191625.db2.gz MPUNHBWVPPMDNR-CQSZACIVSA-N 0 1 299.418 3.685 20 0 CHADMN CCN(Cc1cc(C)nc(C)n1)[C@H](C)c1cccc(OC)c1 ZINC000659852548 1120191629 /nfs/dbraw/zinc/19/16/29/1120191629.db2.gz MPUNHBWVPPMDNR-CQSZACIVSA-N 0 1 299.418 3.685 20 0 CHADMN Fc1cc2[nH]cnc2cc1N[C@@H]1CCCc2cccnc21 ZINC001168659856 1120194374 /nfs/dbraw/zinc/19/43/74/1120194374.db2.gz ROTJQGUSJNTFPV-GFCCVEGCSA-N 0 1 282.322 3.587 20 0 CHADMN C[C@H](Cc1cccc(F)c1)NCc1nc(C(C)(C)C)co1 ZINC000921753124 1120198456 /nfs/dbraw/zinc/19/84/56/1120198456.db2.gz WYYOGXZAOVOPPP-GFCCVEGCSA-N 0 1 290.382 3.832 20 0 CHADMN COc1nccc(CNC(C)(C)c2cccc(C)c2)c1F ZINC000893019803 1120199682 /nfs/dbraw/zinc/19/96/82/1120199682.db2.gz RGNYKODLVQNGOQ-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN FC(F)(F)c1n[nH]cc1CN1CCCC2(CCCC2)C1 ZINC001141012326 1120202845 /nfs/dbraw/zinc/20/28/45/1120202845.db2.gz ZKGJAQXTOBGUQB-UHFFFAOYSA-N 0 1 287.329 3.585 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cccc(C)c2)c1F ZINC000165883127 1120203993 /nfs/dbraw/zinc/20/39/93/1120203993.db2.gz UTCJSSCAPUXYCM-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN COc1cccc([C@@H](C)NCc2cccc(OC)c2F)c1 ZINC000165883329 1120204115 /nfs/dbraw/zinc/20/41/15/1120204115.db2.gz LFTKRFPXVUBXNP-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN CCCC[C@H](CC)CC[N@@H+](CC(=O)[O-])C1CCC1 ZINC000656100870 1120205399 /nfs/dbraw/zinc/20/53/99/1120205399.db2.gz DHHJRDIDVYKKRM-ZDUSSCGKSA-N 0 1 255.402 3.532 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cccc2[nH]ccc21 ZINC000073007179 1120206286 /nfs/dbraw/zinc/20/62/86/1120206286.db2.gz IXPMOONKWFDPBH-SNVBAGLBSA-N 0 1 269.348 3.624 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2c(C)noc2C)cc1 ZINC000073007007 1120206449 /nfs/dbraw/zinc/20/64/49/1120206449.db2.gz GNTZEBNFGHIMTQ-LLVKDONJSA-N 0 1 274.364 3.541 20 0 CHADMN Cc1nc(CN(C)CCC2CCCCC2)c(C)o1 ZINC000659868042 1120219811 /nfs/dbraw/zinc/21/98/11/1120219811.db2.gz MCMVDITVOJBOKS-UHFFFAOYSA-N 0 1 250.386 3.694 20 0 CHADMN CC(C)[C@H]1OCCC[C@@H]1CNCc1nc(C(C)(C)C)co1 ZINC000921816605 1120225981 /nfs/dbraw/zinc/22/59/81/1120225981.db2.gz GOABZSJQPBDIFL-CZUORRHYSA-N 0 1 294.439 3.513 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)N1CCSCC1 ZINC000110427252 1120226072 /nfs/dbraw/zinc/22/60/72/1120226072.db2.gz XLSHOPBHLNCLBV-CYBMUJFWSA-N 0 1 255.814 3.840 20 0 CHADMN Cc1cc(Cl)cc(CN[C@](C)(CO)c2ccccc2)c1 ZINC000395260110 1120228208 /nfs/dbraw/zinc/22/82/08/1120228208.db2.gz ILSCKBXKFYYPNK-QGZVFWFLSA-N 0 1 289.806 3.646 20 0 CHADMN COc1ccc(C)cc1CN(C)Cc1ccccc1C ZINC000061759972 1120229325 /nfs/dbraw/zinc/22/93/25/1120229325.db2.gz UBVKPMCSVJPEHM-UHFFFAOYSA-N 0 1 269.388 3.944 20 0 CHADMN CCCCN(C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000061757680 1120229551 /nfs/dbraw/zinc/22/95/51/1120229551.db2.gz SVUJPIDNDDPXOX-UHFFFAOYSA-N 0 1 262.328 3.713 20 0 CHADMN COc1ccc(CNCc2coc3ccccc23)c(OC)c1 ZINC000114509014 1120234750 /nfs/dbraw/zinc/23/47/50/1120234750.db2.gz ZLGUBUSKSVMMMQ-UHFFFAOYSA-N 0 1 297.354 3.740 20 0 CHADMN CCCC[C@@H]1CCC[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000110734885 1120236761 /nfs/dbraw/zinc/23/67/61/1120236761.db2.gz FNPDSFBZZWIOOO-TZMCWYRMSA-N 0 1 285.391 3.652 20 0 CHADMN C[C@@H](c1ccccn1)N(C)C/C=C/c1ccc(F)cc1 ZINC000182067407 1120244298 /nfs/dbraw/zinc/24/42/98/1120244298.db2.gz HBCBBPPPONCJEV-GJBLVYBDSA-N 0 1 270.351 3.927 20 0 CHADMN CCc1c(C)[nH]n(-c2ccc(Cl)cc2Cl)c1=O ZINC000103316176 1120249898 /nfs/dbraw/zinc/24/98/98/1120249898.db2.gz BAJNDNLQUVCZQK-VIFPVBQESA-N 0 1 271.147 3.742 20 0 CHADMN CC[N@@H+](C/C=C/c1ccc(Cl)cc1)Cc1cnn(C)c1 ZINC000179587885 1120250291 /nfs/dbraw/zinc/25/02/91/1120250291.db2.gz YZKJMNFRCODPDS-SNAWJCMRSA-N 0 1 289.810 3.609 20 0 CHADMN CCN(C/C=C/c1ccc(Cl)cc1)Cc1cnn(C)c1 ZINC000179587885 1120250296 /nfs/dbraw/zinc/25/02/96/1120250296.db2.gz YZKJMNFRCODPDS-SNAWJCMRSA-N 0 1 289.810 3.609 20 0 CHADMN C[C@@H]1CCCCN(Cc2nnc(-c3ccccc3)s2)C1 ZINC000187962323 1120254389 /nfs/dbraw/zinc/25/43/89/1120254389.db2.gz HBFADQHCIZOFOS-CYBMUJFWSA-N 0 1 287.432 3.827 20 0 CHADMN CC(C)[C@@H](N)c1noc(C(C)(C)c2ccccc2Cl)n1 ZINC000843150842 1120254541 /nfs/dbraw/zinc/25/45/41/1120254541.db2.gz VWXLCJFWANSEFS-GFCCVEGCSA-N 0 1 293.798 3.705 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2ccc(-c3ccco3)s2)n1 ZINC000843151413 1120257077 /nfs/dbraw/zinc/25/70/77/1120257077.db2.gz ZFFCUPHHBMUYLB-GFCCVEGCSA-N 0 1 289.360 3.714 20 0 CHADMN CC[C@@H](C)CN(C)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000111254716 1120258231 /nfs/dbraw/zinc/25/82/31/1120258231.db2.gz AEKIKXJNHPFREE-CYBMUJFWSA-N 0 1 288.391 3.828 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](c2cccnc2)C2CC2)cc1O ZINC000584559501 1120267171 /nfs/dbraw/zinc/26/71/71/1120267171.db2.gz TWWBBXPXBTWORP-XIKOKIGWSA-N 0 1 298.386 3.598 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](c2cccnc2)C2CC2)cc1O ZINC000584559498 1120267256 /nfs/dbraw/zinc/26/72/56/1120267256.db2.gz TWWBBXPXBTWORP-KPZWWZAWSA-N 0 1 298.386 3.598 20 0 CHADMN COc1ccc([C@H](C)N[C@H](c2cccnc2)C2CC2)cc1O ZINC000584559500 1120267398 /nfs/dbraw/zinc/26/73/98/1120267398.db2.gz TWWBBXPXBTWORP-SGTLLEGYSA-N 0 1 298.386 3.598 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1Cl ZINC000381986681 1120277275 /nfs/dbraw/zinc/27/72/75/1120277275.db2.gz XAPOHMICTVJYJX-FZMZJTMJSA-N 0 1 293.794 3.803 20 0 CHADMN CC(C)CCN1Cc2cccc(NC(=O)[C@@H]3C[C@H]3C)c2C1 ZINC000076171343 1120278548 /nfs/dbraw/zinc/27/85/48/1120278548.db2.gz HNNVVCPYKAGELX-UKRRQHHQSA-N 0 1 286.419 3.643 20 0 CHADMN C[C@H](NCc1nn(C)c2ccccc12)c1ccc(F)cc1 ZINC000112338576 1120282548 /nfs/dbraw/zinc/28/25/48/1120282548.db2.gz OPBHFQQVHKSRGM-LBPRGKRZSA-N 0 1 283.350 3.563 20 0 CHADMN CC(C)CCc1nc(CN(C)C[C@@H]2CCCOC2)cs1 ZINC000107801367 1120300063 /nfs/dbraw/zinc/30/00/63/1120300063.db2.gz BERXPUISMQIWEO-AWEZNQCLSA-N 0 1 296.480 3.590 20 0 CHADMN C[C@H](CCC1CC1)[NH2+]Cc1cccc([O-])c1Cl ZINC000398165498 1120302125 /nfs/dbraw/zinc/30/21/25/1120302125.db2.gz MLKIXICELFVZQH-SNVBAGLBSA-N 0 1 253.773 3.714 20 0 CHADMN Cc1ccc([C@H]2[C@H](C)CCCN2Cc2cn(C)cn2)cc1 ZINC000659946093 1120302643 /nfs/dbraw/zinc/30/26/43/1120302643.db2.gz ZVUDVIWVNPUXSX-CRAIPNDOSA-N 0 1 283.419 3.702 20 0 CHADMN C[C@@H](NCc1cncs1)c1cccc(N2CCCC2)c1 ZINC000136324190 1120310829 /nfs/dbraw/zinc/31/08/29/1120310829.db2.gz SXECRNVYJQFVNY-CYBMUJFWSA-N 0 1 287.432 3.594 20 0 CHADMN Cc1ccc(C(=O)CN[C@H]2Cc3cccc(Cl)c3C2)cc1 ZINC001168699062 1120320109 /nfs/dbraw/zinc/32/01/09/1120320109.db2.gz NEKGXCNYJPGZNY-HNNXBMFYSA-N 0 1 299.801 3.588 20 0 CHADMN CCC1CCC([N@@H+](C)Cc2cc(C3CC3)no2)CC1 ZINC000659983757 1120321382 /nfs/dbraw/zinc/32/13/82/1120321382.db2.gz UVTSIGOTAMNMHT-UHFFFAOYSA-N 0 1 262.397 3.953 20 0 CHADMN Fc1cccc([C@@H]2CCC[N@H+]2CCC(F)(F)F)c1 ZINC000077268160 1120322277 /nfs/dbraw/zinc/32/22/77/1120322277.db2.gz MSYJRXWPRHUZCU-LBPRGKRZSA-N 0 1 261.262 3.915 20 0 CHADMN Fc1cccc([C@@H]2CCCN2CCC(F)(F)F)c1 ZINC000077268160 1120322284 /nfs/dbraw/zinc/32/22/84/1120322284.db2.gz MSYJRXWPRHUZCU-LBPRGKRZSA-N 0 1 261.262 3.915 20 0 CHADMN O=C([O-])[C@@H]1c2ccoc2CC[N@@H+]1CCC1CCCCCC1 ZINC000629366293 1128908040 /nfs/dbraw/zinc/90/80/40/1128908040.db2.gz QESARVNYILBPIQ-INIZCTEOSA-N 0 1 291.391 3.624 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000629363021 1128908239 /nfs/dbraw/zinc/90/82/39/1128908239.db2.gz FKBXHXHMISOORG-HUUCEWRRSA-N 0 1 269.429 3.780 20 0 CHADMN C[C@H]1CN(Cc2cnc3ccccc3n2)[C@@H]1c1ccccc1 ZINC000659986473 1120325965 /nfs/dbraw/zinc/32/59/65/1120325965.db2.gz LDMNOBKXMZEXKO-LIRRHRJNSA-N 0 1 289.382 3.823 20 0 CHADMN Cc1cccnc1[C@H](NCc1ccnc(Cl)c1)C(C)C ZINC000172817758 1120326559 /nfs/dbraw/zinc/32/65/59/1120326559.db2.gz VUWFWJCJJLKMSI-OAHLLOKOSA-N 0 1 289.810 3.925 20 0 CHADMN COc1ccc(CN[C@H](C)c2cccc3c2OCO3)c(C)c1 ZINC000925541254 1120327101 /nfs/dbraw/zinc/32/71/01/1120327101.db2.gz BENRRUVFMBVKHN-CYBMUJFWSA-N 0 1 299.370 3.583 20 0 CHADMN Cc1cccnc1[C@H](N[C@@H](C)c1ccncc1)C(C)C ZINC000172818154 1120328121 /nfs/dbraw/zinc/32/81/21/1120328121.db2.gz JRHURTZWBFPTII-GOEBONIOSA-N 0 1 269.392 3.833 20 0 CHADMN CC[C@H](c1ccccc1OC)N(C)C[C@@H](F)CC ZINC000672577337 1120328156 /nfs/dbraw/zinc/32/81/56/1120328156.db2.gz MRWLOKGGYDEVTM-GXTWGEPZSA-N 0 1 253.361 3.826 20 0 CHADMN Cc1nccc(NC[C@@H](C)C(F)(F)F)c1Cl ZINC000309575266 1120329023 /nfs/dbraw/zinc/32/90/23/1120329023.db2.gz OSMVSNKMUCLJEJ-ZCFIWIBFSA-N 0 1 252.667 3.654 20 0 CHADMN Cc1c([C@H](C)NC/C=C/Cl)cnn1-c1ccc(F)cc1 ZINC000182880488 1120330423 /nfs/dbraw/zinc/33/04/23/1120330423.db2.gz ZHKQJGOQLBOFGB-AEBAWRHJSA-N 0 1 293.773 3.723 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])oc2CC)C1 ZINC000629375705 1128908746 /nfs/dbraw/zinc/90/87/46/1128908746.db2.gz MRECHMMOCOOWAI-HSBHDXMMSA-N 0 1 291.391 3.718 20 0 CHADMN C[C@H](N[C@@H]1CCCC1(F)F)[C@@H](C)c1ccccc1 ZINC000672621891 1120335809 /nfs/dbraw/zinc/33/58/09/1120335809.db2.gz NBCJJHLRYXHJKP-MBNYWOFBSA-N 0 1 253.336 3.956 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CCCCCC2)[C@H]2CCC[C@H]21 ZINC000629378640 1128909039 /nfs/dbraw/zinc/90/90/39/1128909039.db2.gz SPABVNVJNJZGBR-BBWFWOEESA-N 0 1 293.451 3.922 20 0 CHADMN C[C@H](c1ccccc1)N1CC[C@@H](N[C@H]2CCCC2(F)F)C1 ZINC000672622237 1120336806 /nfs/dbraw/zinc/33/68/06/1120336806.db2.gz DJTASVCARFRAOI-BMFZPTHFSA-N 0 1 294.389 3.599 20 0 CHADMN C[C@@H]1CN(CCOc2cccc3ccccc32)CC(C)(C)O1 ZINC000065281424 1120336922 /nfs/dbraw/zinc/33/69/22/1120336922.db2.gz BXBUAAGFFIKEPB-OAHLLOKOSA-N 0 1 299.414 3.718 20 0 CHADMN CC(C)CC[C@@H]1CCCN1Cc1ccn(C(F)F)n1 ZINC000347681753 1120344536 /nfs/dbraw/zinc/34/45/36/1120344536.db2.gz LKKNSFCZRCIZNM-ZDUSSCGKSA-N 0 1 271.355 3.679 20 0 CHADMN CCCNc1ccc(CNCc2ccnn2C2CCC2)cc1 ZINC000922060789 1120350664 /nfs/dbraw/zinc/35/06/64/1120350664.db2.gz IOOXSRJFUSOXES-UHFFFAOYSA-N 0 1 298.434 3.720 20 0 CHADMN C[C@H](NC1CSC1)c1nc(-c2ccccc2)cs1 ZINC000679627747 1120351419 /nfs/dbraw/zinc/35/14/19/1120351419.db2.gz VXLRJJOSQOKHMK-JTQLQIEISA-N 0 1 276.430 3.576 20 0 CHADMN CSc1cccc(CN(C)Cc2cccc(C)n2)c1 ZINC000660081385 1120367142 /nfs/dbraw/zinc/36/71/42/1120367142.db2.gz REVVOBPMXPGQGF-UHFFFAOYSA-N 0 1 272.417 3.744 20 0 CHADMN Cc1cnc([C@H](C)N[C@H]2CCC[C@H](C3CCOCC3)C2)o1 ZINC000922101519 1120367162 /nfs/dbraw/zinc/36/71/62/1120367162.db2.gz OLLRWKMOIWQBOF-BPUTZDHNSA-N 0 1 292.423 3.619 20 0 CHADMN Cc1nc2ccc(NC(=O)Cc3ccccc3Cl)cc2[nH]1 ZINC000010895626 1120378330 /nfs/dbraw/zinc/37/83/30/1120378330.db2.gz DSGWBFMUHLJFEM-UHFFFAOYSA-N 0 1 299.761 3.706 20 0 CHADMN CCOC1CCN([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000618443799 1128912528 /nfs/dbraw/zinc/91/25/28/1128912528.db2.gz SARGKJCNMHDRBA-LLVKDONJSA-N 0 1 269.335 3.527 20 0 CHADMN CC[C@@H](CSc1nc(Cc2ccccc2)c(C)[nH]1)OC ZINC000416893451 1120382158 /nfs/dbraw/zinc/38/21/58/1120382158.db2.gz LNCWRMDLKVSLKQ-AWEZNQCLSA-N 0 1 290.432 3.826 20 0 CHADMN C/C(=C\c1ccccc1)CNCc1cc(C(C)C)no1 ZINC000114510682 1120385188 /nfs/dbraw/zinc/38/51/88/1120385188.db2.gz MPBUOFCYFCGESC-NTEUORMPSA-N 0 1 270.376 3.991 20 0 CHADMN CCCCc1noc([C@H](C)N(C)C[C@@H]2CC=CCC2)n1 ZINC000544116954 1120386406 /nfs/dbraw/zinc/38/64/06/1120386406.db2.gz KWZQLCCVIFLUNJ-UONOGXRCSA-N 0 1 277.412 3.761 20 0 CHADMN CC(=CC(C)(C)C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000185915225 1120387405 /nfs/dbraw/zinc/38/74/05/1120387405.db2.gz VUTHXYMYXFNLGQ-MDZDMXLPSA-N 0 1 271.364 3.802 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@H](C)c1ccc(F)cc1 ZINC000078679016 1120399403 /nfs/dbraw/zinc/39/94/03/1120399403.db2.gz WACYMGUGPXGHKC-ZJUUUORDSA-N 0 1 262.328 3.842 20 0 CHADMN COc1ncc(CN[C@@H](C)c2ccc(SC)cc2)s1 ZINC000382338831 1128913961 /nfs/dbraw/zinc/91/39/61/1128913961.db2.gz ARYCAYACAMDBRA-JTQLQIEISA-N 0 1 294.445 3.724 20 0 CHADMN Cc1nccc(N2CCC3(CC3(F)F)CC2)c1Cl ZINC000651424152 1120409998 /nfs/dbraw/zinc/40/99/98/1120409998.db2.gz HIBZNSCBNNWSSQ-UHFFFAOYSA-N 0 1 272.726 3.669 20 0 CHADMN CCC[C@H](C(=O)NOC(C)C)c1ccc(Cl)cc1 ZINC000854754615 1120413858 /nfs/dbraw/zinc/41/38/58/1120413858.db2.gz SDDGGLSFZXWDMM-ZDUSSCGKSA-N 0 1 269.772 3.680 20 0 CHADMN CCc1cccc(CN[C@H](C)c2c(C)noc2C)c1 ZINC000682532931 1120417026 /nfs/dbraw/zinc/41/70/26/1120417026.db2.gz JQFYAASPPXNEHD-LLVKDONJSA-N 0 1 258.365 3.705 20 0 CHADMN c1csc([C@@H](NCc2cc(C3CC3)no2)C2CC2)c1 ZINC000660176055 1120417247 /nfs/dbraw/zinc/41/72/47/1120417247.db2.gz UBMVHGRZUDXSMN-HNNXBMFYSA-N 0 1 274.389 3.854 20 0 CHADMN COc1cc(CN[C@H](CC(C)(C)C)c2ccccc2)on1 ZINC000660184873 1120422539 /nfs/dbraw/zinc/42/25/39/1120422539.db2.gz OEJABSYNGAWDQG-OAHLLOKOSA-N 0 1 288.391 3.950 20 0 CHADMN COC[C@@H](NCc1cccc(SC)c1)c1ccccc1 ZINC000660194855 1120428844 /nfs/dbraw/zinc/42/88/44/1120428844.db2.gz XJEVATCVNJTOCN-QGZVFWFLSA-N 0 1 287.428 3.886 20 0 CHADMN Cc1ccnc(CN(Cc2ccc(F)cc2)C(C)C)c1 ZINC000683004760 1120432547 /nfs/dbraw/zinc/43/25/47/1120432547.db2.gz ORFNBJBKORDETK-UHFFFAOYSA-N 0 1 272.367 3.940 20 0 CHADMN CCCc1nc(CN2CCCCC[C@@H]2C[C@H](C)O)cs1 ZINC000253097588 1128915808 /nfs/dbraw/zinc/91/58/08/1128915808.db2.gz RTWJULVRNREAJW-DZGCQCFKSA-N 0 1 296.480 3.611 20 0 CHADMN C[C@H](CC1CCC1)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000682998473 1120433689 /nfs/dbraw/zinc/43/36/89/1120433689.db2.gz CVQCKEPNUHQEAG-ZIAGYGMSSA-N 0 1 299.418 3.890 20 0 CHADMN COc1cc(CN[C@@H](c2ccccc2C)C(C)(C)C)on1 ZINC000660200707 1120437717 /nfs/dbraw/zinc/43/77/17/1120437717.db2.gz TUGMJKCORVRDAR-INIZCTEOSA-N 0 1 288.391 3.869 20 0 CHADMN CS[C@H](C)CN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000925602012 1120443023 /nfs/dbraw/zinc/44/30/23/1120443023.db2.gz PJQKRYZCSDDQSI-RHSMWYFYSA-N 0 1 286.444 3.821 20 0 CHADMN C[C@H]1CCCCC[N@H+]1CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000584785933 1120446733 /nfs/dbraw/zinc/44/67/33/1120446733.db2.gz UJDPJMRTNPVRLR-GOEBONIOSA-N 0 1 275.392 3.509 20 0 CHADMN CCc1ncc(C[N@@H+](C)[C@@H](C)c2ccc(C)cc2)o1 ZINC000929276583 1120450960 /nfs/dbraw/zinc/45/09/60/1120450960.db2.gz PUVJKWGHPLFSQN-ZDUSSCGKSA-N 0 1 258.365 3.738 20 0 CHADMN CCc1ncc(CN(C)[C@@H](C)c2ccc(C)cc2)o1 ZINC000929276583 1120450965 /nfs/dbraw/zinc/45/09/65/1120450965.db2.gz PUVJKWGHPLFSQN-ZDUSSCGKSA-N 0 1 258.365 3.738 20 0 CHADMN CCOc1ccc(CN2CCCCC2)cc1Cl ZINC000197481675 1120479413 /nfs/dbraw/zinc/47/94/13/1120479413.db2.gz OKEXNIYNHMBWKU-UHFFFAOYSA-N 0 1 253.773 3.725 20 0 CHADMN CCOc1ccccc1CCN[C@@H](C)c1csc(C)n1 ZINC000358119790 1120465966 /nfs/dbraw/zinc/46/59/66/1120465966.db2.gz CBNURQCIGFQQKM-LBPRGKRZSA-N 0 1 290.432 3.744 20 0 CHADMN CC[C@H](NCCOCc1ccccc1)c1nc(C)cs1 ZINC000660252414 1120467882 /nfs/dbraw/zinc/46/78/82/1120467882.db2.gz IIJUPWOTBYCMQD-HNNXBMFYSA-N 0 1 290.432 3.709 20 0 CHADMN Fc1ccc(CN[C@@H]2CCSc3c(F)cccc32)cn1 ZINC000188976974 1120470078 /nfs/dbraw/zinc/47/00/78/1120470078.db2.gz DMMKZINAZYIOLX-CYBMUJFWSA-N 0 1 292.354 3.687 20 0 CHADMN CCc1nc([C@@H](C)NC[C@@H](OC)C2CCCC2)cs1 ZINC000660267822 1120474025 /nfs/dbraw/zinc/47/40/25/1120474025.db2.gz WTBVZOMQNGSLCL-BXUZGUMPSA-N 0 1 282.453 3.561 20 0 CHADMN Cc1ccnc(NCc2cnn(C3CCC3)c2)c1C1CC1 ZINC000922242095 1120481233 /nfs/dbraw/zinc/48/12/33/1120481233.db2.gz BYIJOZMFCISIQO-UHFFFAOYSA-N 0 1 282.391 3.801 20 0 CHADMN CCn1cncc1CN1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000417805243 1120482025 /nfs/dbraw/zinc/48/20/25/1120482025.db2.gz DEHADGXFRUNRLI-CXAGYDPISA-N 0 1 287.382 3.625 20 0 CHADMN Cc1ccc2oc(CNCc3cnn(C4CCC4)c3)cc2c1 ZINC000922248160 1120484462 /nfs/dbraw/zinc/48/44/62/1120484462.db2.gz KLRWPPULGIUATK-UHFFFAOYSA-N 0 1 295.386 3.953 20 0 CHADMN CCCn1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cn1 ZINC000116908328 1120485928 /nfs/dbraw/zinc/48/59/28/1120485928.db2.gz HFMVGHATJDKLEI-UHFFFAOYSA-N 0 1 294.280 3.855 20 0 CHADMN C[C@H]1C[N@@H+](C/C=C/c2ccc(F)c(F)c2)CCC1(F)F ZINC000685849310 1120486383 /nfs/dbraw/zinc/48/63/83/1120486383.db2.gz PAWAULQEIMXCSS-VUDBWIFFSA-N 0 1 287.300 3.955 20 0 CHADMN C[C@H]1CN(C/C=C/c2ccc(F)c(F)c2)CCC1(F)F ZINC000685849310 1120486389 /nfs/dbraw/zinc/48/63/89/1120486389.db2.gz PAWAULQEIMXCSS-VUDBWIFFSA-N 0 1 287.300 3.955 20 0 CHADMN Cc1csc(CCNCc2csc(C(C)(C)C)n2)n1 ZINC000132956213 1120486526 /nfs/dbraw/zinc/48/65/26/1120486526.db2.gz XMEJUJIBUNLHJC-UHFFFAOYSA-N 0 1 295.477 3.538 20 0 CHADMN C[C@H]1CN(Cc2cccc(N(C)C)c2)Cc2ccccc2O1 ZINC000644784696 1120487341 /nfs/dbraw/zinc/48/73/41/1120487341.db2.gz XODXXJPWQDNXRJ-HNNXBMFYSA-N 0 1 296.414 3.536 20 0 CHADMN CCn1cncc1CN[C@@H](C)c1oc2ccccc2c1C ZINC000417874141 1120488210 /nfs/dbraw/zinc/48/82/10/1120488210.db2.gz KWVKVLFQWCROPW-ZDUSSCGKSA-N 0 1 283.375 3.808 20 0 CHADMN Cc1cccc([C@@H](c2noc(CNCC3CC3)n2)C(C)C)c1 ZINC000843235875 1120488545 /nfs/dbraw/zinc/48/85/45/1120488545.db2.gz YFDIONQOEOCMTM-KRWDZBQOSA-N 0 1 299.418 3.666 20 0 CHADMN c1csc([C@@H]2CSCCN2C[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000660308874 1120490822 /nfs/dbraw/zinc/49/08/22/1120490822.db2.gz ZLAMUHSDVLUACW-RQJABVFESA-N 0 1 294.489 3.669 20 0 CHADMN CCn1nncc1CN[C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000417955740 1120497355 /nfs/dbraw/zinc/49/73/55/1120497355.db2.gz DLGOUIINEREONI-GOSISDBHSA-N 0 1 298.434 3.589 20 0 CHADMN Cc1cc(C(=O)N(CC(C)C)[C@@H](C)c2ccccc2C)n[nH]1 ZINC000673460738 1120498378 /nfs/dbraw/zinc/49/83/78/1120498378.db2.gz SKXYENIQYBKLFG-HNNXBMFYSA-N 0 1 299.418 3.886 20 0 CHADMN CC(C)[C@H](NCc1cnc2ccccn12)c1ccccc1F ZINC000657616567 1120501313 /nfs/dbraw/zinc/50/13/13/1120501313.db2.gz YXHNAEJZDKUNNJ-SFHVURJKSA-N 0 1 297.377 3.960 20 0 CHADMN Cc1ncsc1CN(C)CCSC1CCCCC1 ZINC000500073899 1120504400 /nfs/dbraw/zinc/50/44/00/1120504400.db2.gz JMSZTCBOXRLFFW-UHFFFAOYSA-N 0 1 284.494 3.949 20 0 CHADMN CCN(Cc1csc(C2CCCC2)n1)C[C@H]1CCOC1 ZINC000069518329 1120507211 /nfs/dbraw/zinc/50/72/11/1120507211.db2.gz WXLBOEISNJGLOP-CYBMUJFWSA-N 0 1 294.464 3.659 20 0 CHADMN C[C@H]1CCC[N@@H+](CCN[C@@H](c2ccco2)c2ccccc2)C1 ZINC000543407476 1120513318 /nfs/dbraw/zinc/51/33/18/1120513318.db2.gz HAUWRLACOYNKLK-QFBILLFUSA-N 0 1 298.430 3.691 20 0 CHADMN Cc1csc(CN[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)n1 ZINC000657707516 1120513425 /nfs/dbraw/zinc/51/34/25/1120513425.db2.gz HTKNEMKGQVPUQW-OLZOCXBDSA-N 0 1 294.464 3.667 20 0 CHADMN C[C@@H]1CCC[N@@H+](CCN[C@@H](c2ccco2)c2ccccc2)C1 ZINC000543407481 1120513474 /nfs/dbraw/zinc/51/34/74/1120513474.db2.gz HAUWRLACOYNKLK-VQIMIIECSA-N 0 1 298.430 3.691 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccc(F)cc2C)n(C)n1 ZINC000418111133 1120519501 /nfs/dbraw/zinc/51/95/01/1120519501.db2.gz GKDVYIKWTIBMOP-QGZVFWFLSA-N 0 1 287.382 3.513 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H](C)c1ccc2c(c1)CCC2 ZINC000783227148 1120523762 /nfs/dbraw/zinc/52/37/62/1120523762.db2.gz TXZIXVWYWSGNEO-TZMCWYRMSA-N 0 1 281.403 3.686 20 0 CHADMN Cc1ccc(NC(=O)c2ccc(Cl)cc2O)c(C)c1 ZINC000019836813 1120528470 /nfs/dbraw/zinc/52/84/70/1120528470.db2.gz IVDVXBQGYCDLRY-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN O=C(Nc1ccc(F)cc1F)c1ccc(Cl)cc1O ZINC000019839793 1120529300 /nfs/dbraw/zinc/52/93/00/1120529300.db2.gz NYNQZIGGAQVPBL-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN C[C@@H]1CCCN(Cc2csc(-c3ccccn3)n2)[C@@H]1C ZINC000172986621 1120531719 /nfs/dbraw/zinc/53/17/19/1120531719.db2.gz QEAAVAMMTOUITF-CHWSQXEVSA-N 0 1 287.432 3.826 20 0 CHADMN CCc1cc(C(=O)N(Cc2cccc(C)c2)CC(C)C)n[nH]1 ZINC000500244157 1120538034 /nfs/dbraw/zinc/53/80/34/1120538034.db2.gz ZWJABDLEJVDUIP-UHFFFAOYSA-N 0 1 299.418 3.579 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccc1)c1nc2ccccc2n1C ZINC000019878654 1120542833 /nfs/dbraw/zinc/54/28/33/1120542833.db2.gz WXSSEEWUJPITGM-UONOGXRCSA-N 0 1 279.387 3.985 20 0 CHADMN C[C@@H](NCc1ccc(F)cc1)c1cc(F)ccc1F ZINC000019943932 1120552370 /nfs/dbraw/zinc/55/23/70/1120552370.db2.gz FTJZFQJRTKWGJV-SNVBAGLBSA-N 0 1 265.278 3.955 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@@H]2CCCC2(F)F)C12CCCC2 ZINC000398005799 1120552886 /nfs/dbraw/zinc/55/28/86/1120552886.db2.gz QHIFLBSLRPDYKV-FRRDWIJNSA-N 0 1 273.367 3.502 20 0 CHADMN CC(C)c1ncc(CN[C@@H](c2ccccn2)C2CC2)s1 ZINC000922584277 1120556554 /nfs/dbraw/zinc/55/65/54/1120556554.db2.gz GFMYUGVWYRSTQZ-OAHLLOKOSA-N 0 1 287.432 3.902 20 0 CHADMN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc2ccccc2c1 ZINC000389641853 1120556597 /nfs/dbraw/zinc/55/65/97/1120556597.db2.gz XVZXXQIDXOENFX-BZSNNMDCSA-N 0 1 295.382 3.525 20 0 CHADMN C[C@H](CCCC(F)(F)F)N[C@@H]1CCCC1(F)F ZINC000398038539 1120559855 /nfs/dbraw/zinc/55/98/55/1120559855.db2.gz QVQQMUJVPFJMPN-RKDXNWHRSA-N 0 1 259.262 3.885 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H]1C[C@@H](C)c2ccccc21 ZINC000783245244 1120559758 /nfs/dbraw/zinc/55/97/58/1120559758.db2.gz ROKFZGOJCPWRAT-PVXIVEMSSA-N 0 1 267.376 3.684 20 0 CHADMN Cc1oc(-c2ccccc2)cc1-c1nc([C@@H]2CCCN2)no1 ZINC000629675065 1128924752 /nfs/dbraw/zinc/92/47/52/1128924752.db2.gz MKGJEFSAPDAHGW-AWEZNQCLSA-N 0 1 295.342 3.730 20 0 CHADMN Fc1ccccc1CCN1CCC[C@@H]1c1nccs1 ZINC001207503750 1120565407 /nfs/dbraw/zinc/56/54/07/1120565407.db2.gz GWCLYYAZSRYQLO-CQSZACIVSA-N 0 1 276.380 3.662 20 0 CHADMN CCC[C@H](CC1CCCC1)C(=O)N1CCN(CCC)CC1 ZINC000499979504 1120567885 /nfs/dbraw/zinc/56/78/85/1120567885.db2.gz OBHMDTLKJUTYBK-QGZVFWFLSA-N 0 1 294.483 3.537 20 0 CHADMN CC(C)Cc1ccc(CNCc2ccccc2N(C)C)cn1 ZINC000893353479 1120568556 /nfs/dbraw/zinc/56/85/56/1120568556.db2.gz PETVDBFADOWHPS-UHFFFAOYSA-N 0 1 297.446 3.636 20 0 CHADMN CC(C)(/C=C/Cl)NCc1nccc2ccccc21 ZINC000922648247 1120572007 /nfs/dbraw/zinc/57/20/07/1120572007.db2.gz GCDGZNIWICTMFT-CMDGGOBGSA-N 0 1 260.768 3.856 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1cnn(C(C)C)c1 ZINC000922664502 1120576908 /nfs/dbraw/zinc/57/69/08/1120576908.db2.gz DSHBODYFPVFWGJ-CYBMUJFWSA-N 0 1 275.371 3.762 20 0 CHADMN C[C@@]1(O)CCCCN(Cc2c(Cl)cccc2Cl)C1 ZINC001203416314 1120579478 /nfs/dbraw/zinc/57/94/78/1120579478.db2.gz DVUQFNIZEYZNHU-CQSZACIVSA-N 0 1 288.218 3.730 20 0 CHADMN Cc1nc(CN(c2ccsc2)C2CCCCC2)n[nH]1 ZINC000428942730 1120579559 /nfs/dbraw/zinc/57/95/59/1120579559.db2.gz NZXPUIBOPPJKLV-UHFFFAOYSA-N 0 1 276.409 3.514 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H](C)c1cccc(O)c1 ZINC000020096898 1120584353 /nfs/dbraw/zinc/58/43/53/1120584353.db2.gz YIMFJLWIEBSCKC-OLZOCXBDSA-N 0 1 271.360 3.813 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccoc2C)cc1 ZINC000194001084 1120590375 /nfs/dbraw/zinc/59/03/75/1120590375.db2.gz LOQAOLFCBLAAGU-UHFFFAOYSA-N 0 1 259.349 3.619 20 0 CHADMN Cc1cnc(CNCc2cccc(OC(F)F)c2)c(C)c1 ZINC000922741924 1120592090 /nfs/dbraw/zinc/59/20/90/1120592090.db2.gz CAQMAUYEESXSBI-UHFFFAOYSA-N 0 1 292.329 3.590 20 0 CHADMN CCCC1CCC([N@@H+](C)Cc2nnc(C(C)C)[nH]2)CC1 ZINC000428980533 1120596952 /nfs/dbraw/zinc/59/69/52/1120596952.db2.gz VIPWWASIAPZGTD-UHFFFAOYSA-N 0 1 278.444 3.719 20 0 CHADMN C[C@H](c1ccccn1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000182064202 1128927186 /nfs/dbraw/zinc/92/71/86/1128927186.db2.gz XDYNBVKUFHQFLR-LLVKDONJSA-N 0 1 276.767 3.634 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)oc1C ZINC000282385795 1120604111 /nfs/dbraw/zinc/60/41/11/1120604111.db2.gz XEOFPTOACIZRMX-MNOVXSKESA-N 0 1 276.384 3.550 20 0 CHADMN Cc1cnc(Cl)c(CNC[C@@H]2CCCC3(CCC3)O2)c1 ZINC000922809859 1120604618 /nfs/dbraw/zinc/60/46/18/1120604618.db2.gz GHBVMEFFIKYSNK-AWEZNQCLSA-N 0 1 294.826 3.625 20 0 CHADMN C[C@H](CF)NCc1c(OC(F)F)ccc2ccccc21 ZINC000673619220 1120605580 /nfs/dbraw/zinc/60/55/80/1120605580.db2.gz SDPXGZRXYPZFOK-SNVBAGLBSA-N 0 1 283.293 3.889 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1cc(C(C)C)no1 ZINC000766001315 1120606945 /nfs/dbraw/zinc/60/69/45/1120606945.db2.gz LPFIUIKJCCGEBL-INIZCTEOSA-N 0 1 270.376 3.884 20 0 CHADMN COC[C@H](N[C@@H](C)c1cncc(C)c1)c1ccc(F)cc1 ZINC000343868082 1120608187 /nfs/dbraw/zinc/60/81/87/1120608187.db2.gz VTSOEFZVSVTUKT-GUYCJALGSA-N 0 1 288.366 3.567 20 0 CHADMN O=c1cc(C2CCC2)[nH]n1-c1ccc(C(F)(F)F)cc1 ZINC000634595446 1128927933 /nfs/dbraw/zinc/92/79/33/1128927933.db2.gz BNRCJIGFTMEMSF-UHFFFAOYSA-N 0 1 282.265 3.598 20 0 CHADMN C[C@@H]1C[C@]1(NCc1cccnc1)c1ccc(Cl)cc1 ZINC000500400770 1120610605 /nfs/dbraw/zinc/61/06/05/1120610605.db2.gz IATXLQDJDCKAQH-MLGOLLRUSA-N 0 1 272.779 3.760 20 0 CHADMN CCn1nccc1CN[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000500401716 1120611940 /nfs/dbraw/zinc/61/19/40/1120611940.db2.gz XBOSKCRPVZUNIY-BLLLJJGKSA-N 0 1 289.810 3.581 20 0 CHADMN CCc1cc(CN[C@H](C)c2ccc3c(c2)CCCC3)[nH]n1 ZINC000766004111 1120619754 /nfs/dbraw/zinc/61/97/54/1120619754.db2.gz RZWPDOQRMPMOCX-CYBMUJFWSA-N 0 1 283.419 3.702 20 0 CHADMN CCc1cc(CN[C@H]2CC3(CCC3)Oc3ccccc32)n[nH]1 ZINC000766006098 1120620725 /nfs/dbraw/zinc/62/07/25/1120620725.db2.gz ZHGNZJJFMVLEDM-INIZCTEOSA-N 0 1 297.402 3.508 20 0 CHADMN CCc1cc(CN[C@H]2CC3(CCC3)Oc3ccccc32)[nH]n1 ZINC000766006098 1120620728 /nfs/dbraw/zinc/62/07/28/1120620728.db2.gz ZHGNZJJFMVLEDM-INIZCTEOSA-N 0 1 297.402 3.508 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccc(C(C)(C)O)cc2)s1 ZINC000186614050 1120624870 /nfs/dbraw/zinc/62/48/70/1120624870.db2.gz NCSJQTONNRYDMX-LLVKDONJSA-N 0 1 290.432 3.530 20 0 CHADMN C[C@H](C1CC1)[N@@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC000073779038 1120627247 /nfs/dbraw/zinc/62/72/47/1120627247.db2.gz GRMRQZFXHAEURM-CYBMUJFWSA-N 0 1 282.387 3.509 20 0 CHADMN C[C@@H]1Cc2cc(CN[C@H]3CCCc4cccnc43)ccc2O1 ZINC000922885986 1120629453 /nfs/dbraw/zinc/62/94/53/1120629453.db2.gz CHWGDFFZFCOPTN-DYVFJYSZSA-N 0 1 294.398 3.572 20 0 CHADMN CC(C)c1cccc(CN(CCCO)Cc2ccccn2)c1 ZINC000660460199 1120630292 /nfs/dbraw/zinc/63/02/92/1120630292.db2.gz YLDJQBWYRKHYJS-UHFFFAOYSA-N 0 1 298.430 3.590 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@@H+](C)CCOC1CCOCC1 ZINC000625090376 1120632055 /nfs/dbraw/zinc/63/20/55/1120632055.db2.gz UMSNWTJGBMOQOX-CYBMUJFWSA-N 0 1 297.826 3.528 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)CCOC1CCOCC1 ZINC000625090376 1120632058 /nfs/dbraw/zinc/63/20/58/1120632058.db2.gz UMSNWTJGBMOQOX-CYBMUJFWSA-N 0 1 297.826 3.528 20 0 CHADMN CCCN(Cc1coc(-c2ccccc2F)n1)C1CC1 ZINC000625137639 1120637951 /nfs/dbraw/zinc/63/79/51/1120637951.db2.gz RGCXYFRGWLHSCW-UHFFFAOYSA-N 0 1 274.339 3.855 20 0 CHADMN COc1ccc([C@@H](NCc2ccco2)C2CCC2)cc1 ZINC000922889641 1120638590 /nfs/dbraw/zinc/63/85/90/1120638590.db2.gz AWORRALJXXBOSR-KRWDZBQOSA-N 0 1 271.360 3.919 20 0 CHADMN Cc1ccc2sc(CN(C)CCCOC(C)C)nc2c1 ZINC000625182836 1120643401 /nfs/dbraw/zinc/64/34/01/1120643401.db2.gz IWCRBSXOJJLESS-UHFFFAOYSA-N 0 1 292.448 3.852 20 0 CHADMN c1cc(CN2CCC(c3ccccc3)CC2)sn1 ZINC000637888460 1129234981 /nfs/dbraw/zinc/23/49/81/1129234981.db2.gz IFHLHLNDXDYJAG-UHFFFAOYSA-N 0 1 258.390 3.523 20 0 CHADMN CN(Cc1sccc1Br)C1CCCC1 ZINC000043503165 1120647412 /nfs/dbraw/zinc/64/74/12/1120647412.db2.gz XROWIRLJAZILNZ-UHFFFAOYSA-N 0 1 274.227 3.885 20 0 CHADMN Cn1nccc1[C@H]1CCCCN1C/C=C/c1ccccc1 ZINC000500431854 1120653314 /nfs/dbraw/zinc/65/33/14/1120653314.db2.gz ZSRDYRXFUKKAGD-RUJXFNLJSA-N 0 1 281.403 3.661 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCCC[C@H]1c1nc(C)no1 ZINC000660549691 1120655687 /nfs/dbraw/zinc/65/56/87/1120655687.db2.gz XPAJAAMAUDOQCO-RYUDHWBXSA-N 0 1 287.354 3.586 20 0 CHADMN CCc1nc([C@@H](C)N2CC(C)(C)[C@H]2c2cccs2)n[nH]1 ZINC000660556569 1120658273 /nfs/dbraw/zinc/65/82/73/1120658273.db2.gz GYLNGRGRRBQDLT-ZWNOBZJWSA-N 0 1 290.436 3.573 20 0 CHADMN Cc1ccc2sc(CN3CCCSCC3)nc2c1 ZINC000625272523 1120659079 /nfs/dbraw/zinc/65/90/79/1120659079.db2.gz SYBZWPQDCHTTSU-UHFFFAOYSA-N 0 1 278.446 3.544 20 0 CHADMN FC(F)c1ccccc1-c1cccc([C@@H]2COCCN2)c1 ZINC000629734678 1128931367 /nfs/dbraw/zinc/93/13/67/1128931367.db2.gz UWYMNJSFNVQZIZ-INIZCTEOSA-N 0 1 289.325 3.952 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000673693935 1120659873 /nfs/dbraw/zinc/65/98/73/1120659873.db2.gz LZSZADQQUYIODY-UHFFFAOYSA-N 0 1 297.280 3.552 20 0 CHADMN CCCC[C@@H](CC)CCN[C@@H](C)c1nc(C)no1 ZINC000483348003 1120661990 /nfs/dbraw/zinc/66/19/90/1120661990.db2.gz DGVJROJMOWODGC-WCQYABFASA-N 0 1 253.390 3.635 20 0 CHADMN CC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000511847486 1120662286 /nfs/dbraw/zinc/66/22/86/1120662286.db2.gz ZHEYNMDVGXHQTK-BXUZGUMPSA-N 0 1 287.325 3.705 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000511847486 1120662287 /nfs/dbraw/zinc/66/22/87/1120662287.db2.gz ZHEYNMDVGXHQTK-BXUZGUMPSA-N 0 1 287.325 3.705 20 0 CHADMN c1nc(C2CC2)sc1CN1CC[C@H](Nc2ccccc2)C1 ZINC000092758333 1128931885 /nfs/dbraw/zinc/93/18/85/1128931885.db2.gz YAUQLOFLCQSBOW-HNNXBMFYSA-N 0 1 299.443 3.707 20 0 CHADMN C[N@H+](Cc1ccncc1Br)C[C@@H]1CC=CCC1 ZINC000625312513 1120667739 /nfs/dbraw/zinc/66/77/39/1120667739.db2.gz GKMFOXSCYFZQAS-GFCCVEGCSA-N 0 1 295.224 3.632 20 0 CHADMN CN(Cc1ccncc1Br)C[C@@H]1CC=CCC1 ZINC000625312513 1120667741 /nfs/dbraw/zinc/66/77/41/1120667741.db2.gz GKMFOXSCYFZQAS-GFCCVEGCSA-N 0 1 295.224 3.632 20 0 CHADMN Cc1ccc(OC[C@@H](C)N[C@H](C)c2nccs2)cc1 ZINC000086510197 1120667894 /nfs/dbraw/zinc/66/78/94/1120667894.db2.gz KEJUQNQWGQSCHX-CHWSQXEVSA-N 0 1 276.405 3.570 20 0 CHADMN Cc1nc([C@](C)(NC[C@H]2CCCCC2(C)C)C2CC2)no1 ZINC000660632808 1120670365 /nfs/dbraw/zinc/67/03/65/1120670365.db2.gz RBSQAGQBDVDRQO-RHSMWYFYSA-N 0 1 291.439 3.809 20 0 CHADMN CN(CCSc1cccc(Cl)c1)Cc1ccccn1 ZINC000660679465 1120677160 /nfs/dbraw/zinc/67/71/60/1120677160.db2.gz LAVOIZWQKNQLTJ-UHFFFAOYSA-N 0 1 292.835 3.959 20 0 CHADMN CC[C@@H](C[N@@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1)OC ZINC000660707769 1120680178 /nfs/dbraw/zinc/68/01/78/1120680178.db2.gz JPFVURSPZJITFS-PWSUYJOCSA-N 0 1 295.814 3.634 20 0 CHADMN CC[C@@H](CN(C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1)OC ZINC000660707769 1120680182 /nfs/dbraw/zinc/68/01/82/1120680182.db2.gz JPFVURSPZJITFS-PWSUYJOCSA-N 0 1 295.814 3.634 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)N1CCc2nc[nH]c2C1 ZINC000625437765 1120680647 /nfs/dbraw/zinc/68/06/47/1120680647.db2.gz ISJIXQUPRYQZCQ-CYBMUJFWSA-N 0 1 277.371 3.682 20 0 CHADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]CC[C@H]2CCC[C@@H](C)C2)n1 ZINC000660749592 1120684096 /nfs/dbraw/zinc/68/40/96/1120684096.db2.gz YMKIEHVEIKDFID-TZMCWYRMSA-N 0 1 291.439 3.532 20 0 CHADMN Oc1ccc(Cl)c(CN2CCC[C@@]3(CCSC3)C2)c1 ZINC000625463180 1120686119 /nfs/dbraw/zinc/68/61/19/1120686119.db2.gz DLCJRADNUGVXOC-OAHLLOKOSA-N 0 1 297.851 3.765 20 0 CHADMN CN(CCCC1CCCC1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660765928 1120687299 /nfs/dbraw/zinc/68/72/99/1120687299.db2.gz YQKAYKLGGUJYSR-QGZVFWFLSA-N 0 1 298.434 3.796 20 0 CHADMN CC(C)N(CC(=O)NCC(C)(C)C)[C@@H](C)c1ccsc1 ZINC000625482569 1120691669 /nfs/dbraw/zinc/69/16/69/1120691669.db2.gz RCQPUPNVZPKGBQ-ZDUSSCGKSA-N 0 1 296.480 3.682 20 0 CHADMN CCCc1cc(C(=O)N(C)[C@@H]2CCCc3ccccc32)n[nH]1 ZINC000044249821 1120697336 /nfs/dbraw/zinc/69/73/36/1120697336.db2.gz KXSBCKKHNURZAI-QGZVFWFLSA-N 0 1 297.402 3.512 20 0 CHADMN CCCCNc1ccnc(C2(C(F)(F)F)CC2)c1 ZINC001162205875 1120697464 /nfs/dbraw/zinc/69/74/64/1120697464.db2.gz SGFIJZLTJZVLBT-UHFFFAOYSA-N 0 1 258.287 3.888 20 0 CHADMN C[C@H]1Oc2ccccc2[C@H]1NCc1ccc2cnccc2c1 ZINC000673950627 1120699607 /nfs/dbraw/zinc/69/96/07/1120699607.db2.gz YLBPUOZQGVYIQD-YJYMSZOUSA-N 0 1 290.366 3.847 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@H]1NCc1ccc2cnccc2c1 ZINC000673950625 1120700069 /nfs/dbraw/zinc/70/00/69/1120700069.db2.gz YLBPUOZQGVYIQD-DJJJIMSYSA-N 0 1 290.366 3.847 20 0 CHADMN CC[C@H](C)CN(CC)C(=O)c1ccc(CN(CC)CC)o1 ZINC000673958826 1120700628 /nfs/dbraw/zinc/70/06/28/1120700628.db2.gz XUQOKUMSRBBCRH-AWEZNQCLSA-N 0 1 294.439 3.630 20 0 CHADMN Cc1cc(CN[C@H]2c3ccccc3O[C@H]2C)ccc1F ZINC000673962320 1120703187 /nfs/dbraw/zinc/70/31/87/1120703187.db2.gz HNUZJMMDEDWWAB-YVEFUNNKSA-N 0 1 271.335 3.746 20 0 CHADMN Cc1cccc(CNCc2cc(F)c(F)c(F)c2)c1 ZINC000062705863 1120708176 /nfs/dbraw/zinc/70/81/76/1120708176.db2.gz YXNORCODNYAMTF-UHFFFAOYSA-N 0 1 265.278 3.702 20 0 CHADMN C[C@@H](N[C@H]1CCCc2n[nH]cc21)c1ccc(F)cc1Cl ZINC000334521613 1120709412 /nfs/dbraw/zinc/70/94/12/1120709412.db2.gz LMFUAONADUPEEF-OTYXRUKQSA-N 0 1 293.773 3.930 20 0 CHADMN C[C@@H](c1cccnc1)[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000191477851 1128935098 /nfs/dbraw/zinc/93/50/98/1128935098.db2.gz YGOUKAQNXCFWCB-JTQLQIEISA-N 0 1 294.757 3.773 20 0 CHADMN CC(C)(C)n1cc(CN2C3CCCC2CCC3)cn1 ZINC000678279751 1120714605 /nfs/dbraw/zinc/71/46/05/1120714605.db2.gz SJWZMDWCSGAZBT-UHFFFAOYSA-N 0 1 261.413 3.545 20 0 CHADMN C[C@H](c1ccc(OC(F)(F)F)cc1)N(C)Cc1cnc[nH]1 ZINC000661087308 1120714530 /nfs/dbraw/zinc/71/45/30/1120714530.db2.gz QKVPZTYIQYWALX-SNVBAGLBSA-N 0 1 299.296 3.501 20 0 CHADMN CC[C@@H](C)N(CC)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000661107812 1120717627 /nfs/dbraw/zinc/71/76/27/1120717627.db2.gz NOKQIOFMFCFVSK-GFCCVEGCSA-N 0 1 291.370 3.805 20 0 CHADMN CCc1noc([C@@H](C)N[C@H]2CCCC23CCCCC3)n1 ZINC000661126891 1120721941 /nfs/dbraw/zinc/72/19/41/1120721941.db2.gz ALAKXHBSQVZVNM-OLZOCXBDSA-N 0 1 277.412 3.786 20 0 CHADMN CCc1ccccc1NC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000107709287 1120722011 /nfs/dbraw/zinc/72/20/11/1120722011.db2.gz SXZDWCVPWPPOBZ-UHFFFAOYSA-N 0 1 297.383 3.953 20 0 CHADMN Cc1cc(CN(Cc2ccsc2)C(C)(C)C)on1 ZINC000661133416 1120724142 /nfs/dbraw/zinc/72/41/42/1120724142.db2.gz IBWDHDXITYSCLM-UHFFFAOYSA-N 0 1 264.394 3.845 20 0 CHADMN C(N[C@H]1CCCC12CCCCC2)c1nc(C2CC2)no1 ZINC000661128170 1120724974 /nfs/dbraw/zinc/72/49/74/1120724974.db2.gz IKCZKFXACKKNIB-ZDUSSCGKSA-N 0 1 275.396 3.540 20 0 CHADMN Cc1nnc([C@@H](C)N[C@H]2CCCC23CCCCC3)o1 ZINC000661129777 1120725498 /nfs/dbraw/zinc/72/54/98/1120725498.db2.gz PZTUXCMOUYCPPL-YPMHNXCESA-N 0 1 263.385 3.532 20 0 CHADMN CC(C)(C)n1cc(CN2CCC(c3ccco3)CC2)cn1 ZINC000661161154 1120728322 /nfs/dbraw/zinc/72/83/22/1120728322.db2.gz LRVMJQWOQCDUSJ-UHFFFAOYSA-N 0 1 287.407 3.611 20 0 CHADMN C[C@@]1(C2CC2)CN(Cc2ccc(C(F)F)cc2)CCO1 ZINC000661167839 1120731075 /nfs/dbraw/zinc/73/10/75/1120731075.db2.gz KLFXKXBZMOGUKB-INIZCTEOSA-N 0 1 281.346 3.625 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cc2cnccc2o1 ZINC000651747662 1120734082 /nfs/dbraw/zinc/73/40/82/1120734082.db2.gz MQFCJRKVBOOLAG-GFCCVEGCSA-N 0 1 281.359 3.636 20 0 CHADMN CC[C@]1(C)CCC[C@H]1NCc1nc(-c2ccccc2)no1 ZINC000651763617 1120738643 /nfs/dbraw/zinc/73/86/43/1120738643.db2.gz FFFJFEDUZFRMDO-RHSMWYFYSA-N 0 1 285.391 3.795 20 0 CHADMN CCc1noc([C@@H](C)N2CCCC3(CCCC3)CC2)n1 ZINC000661226863 1120741947 /nfs/dbraw/zinc/74/19/47/1120741947.db2.gz DMJASOZBYPRCBT-CYBMUJFWSA-N 0 1 277.412 3.739 20 0 CHADMN COc1cc(F)c(CN2CCC3(CCC3)CC2)cc1OC ZINC000651806051 1120748694 /nfs/dbraw/zinc/74/86/94/1120748694.db2.gz PIAVEDVLDOAQDO-UHFFFAOYSA-N 0 1 293.382 3.609 20 0 CHADMN C(c1noc2c1CCCC2)N1CCC(C2CCC2)CC1 ZINC000661375955 1120757910 /nfs/dbraw/zinc/75/79/10/1120757910.db2.gz GTQRSPYIAQMORF-UHFFFAOYSA-N 0 1 274.408 3.566 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)CCC(C)C)n[nH]2)cc1 ZINC000045483230 1120761099 /nfs/dbraw/zinc/76/10/99/1120761099.db2.gz AHKMVWHEYPODGR-UHFFFAOYSA-N 0 1 285.391 3.503 20 0 CHADMN CC(C)c1nc(CN[C@@H](c2ccccc2F)C(C)C)n[nH]1 ZINC000661482802 1120770067 /nfs/dbraw/zinc/77/00/67/1120770067.db2.gz DMAOMQCDQHBTNV-OAHLLOKOSA-N 0 1 290.386 3.554 20 0 CHADMN CCOc1ccc(CN2CCC[C@H](OC(C)C)C2)cc1F ZINC000651898045 1120771629 /nfs/dbraw/zinc/77/16/29/1120771629.db2.gz ROIUBJHIUNTGDI-HNNXBMFYSA-N 0 1 295.398 3.614 20 0 CHADMN CC(C)(C)OCCCN1CC[C@@H]1c1ccc(F)cc1 ZINC000661508856 1120771919 /nfs/dbraw/zinc/77/19/19/1120771919.db2.gz AEMXDBCOIRGSPI-OAHLLOKOSA-N 0 1 265.372 3.778 20 0 CHADMN CCc1cnc(CN[C@@H]2C[C@H]2CC(C)(C)C)s1 ZINC000651911714 1120776716 /nfs/dbraw/zinc/77/67/16/1120776716.db2.gz UGXJTEAGVVSMNN-CMPLNLGQSA-N 0 1 252.427 3.620 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3cnccc3c2)[C@H](CC)CO1 ZINC000651913526 1120777225 /nfs/dbraw/zinc/77/72/25/1120777225.db2.gz ZEVJFZPVZLQKLT-QZTJIDSGSA-N 0 1 284.403 3.624 20 0 CHADMN CC(C)Cc1ccc(CN[C@@H](C)c2cncc(F)c2)cn1 ZINC000893490030 1120797582 /nfs/dbraw/zinc/79/75/82/1120797582.db2.gz LNDJHWVMBBPIKH-ZDUSSCGKSA-N 0 1 287.382 3.665 20 0 CHADMN Cc1ccc([C@@H](C)N(C)CC(=O)Nc2ccccc2)cc1 ZINC000047960322 1120799096 /nfs/dbraw/zinc/79/90/96/1120799096.db2.gz BDIZWHMCCPDVTQ-OAHLLOKOSA-N 0 1 282.387 3.627 20 0 CHADMN Cc1cc([C@@H](C)NCC2(c3ccccc3F)CCC2)no1 ZINC000652220943 1120801923 /nfs/dbraw/zinc/80/19/23/1120801923.db2.gz NCRWDFXFJOUNOL-CYBMUJFWSA-N 0 1 288.366 3.895 20 0 CHADMN CC[C@H](OCCN[C@H]1C[C@H](C)n2ccnc21)c1ccccc1 ZINC000652235645 1120802451 /nfs/dbraw/zinc/80/24/51/1120802451.db2.gz NOMJBFMMLIZYBO-XIRDDKMYSA-N 0 1 299.418 3.646 20 0 CHADMN Cc1ccc(C)c(NC(=O)c2cc(F)cc3[nH]cnc32)c1 ZINC000048243988 1120805795 /nfs/dbraw/zinc/80/57/95/1120805795.db2.gz OKSAQDCVTDMTKD-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN COc1cc(Cl)ncc1CN1CCC[C@@H]2CCCC[C@H]21 ZINC001141341437 1120808211 /nfs/dbraw/zinc/80/82/11/1120808211.db2.gz CBENFAVMFOXZPQ-GXTWGEPZSA-N 0 1 294.826 3.898 20 0 CHADMN Cc1ccc(CNCc2ccc(F)cc2F)c(C)c1 ZINC000048327000 1120810489 /nfs/dbraw/zinc/81/04/89/1120810489.db2.gz JJNJPKZJEUSENR-UHFFFAOYSA-N 0 1 261.315 3.871 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc(O)cc(F)c1 ZINC000473144410 1120812575 /nfs/dbraw/zinc/81/25/75/1120812575.db2.gz OFXWUJHOMVNRNW-FZKQIMNGSA-N 0 1 285.362 3.909 20 0 CHADMN Cc1nccc(CN[C@H](c2ccc(Cl)cc2)C(C)C)n1 ZINC000054790342 1120818411 /nfs/dbraw/zinc/81/84/11/1120818411.db2.gz PDMZMGUAEGPQPF-INIZCTEOSA-N 0 1 289.810 3.925 20 0 CHADMN COCCCCC[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473153188 1120822536 /nfs/dbraw/zinc/82/25/36/1120822536.db2.gz UFFRWOSDCSUUPT-UHFFFAOYSA-N 0 1 295.373 3.871 20 0 CHADMN COCCCCCN1CC=C(c2c(F)cccc2F)CC1 ZINC000473153188 1120822538 /nfs/dbraw/zinc/82/25/38/1120822538.db2.gz UFFRWOSDCSUUPT-UHFFFAOYSA-N 0 1 295.373 3.871 20 0 CHADMN CC(C)CSc1nnc(CCC2CCCC2)[nH]1 ZINC000629951969 1128942805 /nfs/dbraw/zinc/94/28/05/1128942805.db2.gz ORITWIVNOHHWAQ-UHFFFAOYSA-N 0 1 253.415 3.676 20 0 CHADMN CC(C)CSc1nc(CCC2CCCC2)n[nH]1 ZINC000629951969 1128942808 /nfs/dbraw/zinc/94/28/08/1128942808.db2.gz ORITWIVNOHHWAQ-UHFFFAOYSA-N 0 1 253.415 3.676 20 0 CHADMN Fc1ccc([C@H](NC2CC3(CCC3)C2)c2cnccn2)cc1 ZINC000652327635 1120827265 /nfs/dbraw/zinc/82/72/65/1120827265.db2.gz DRKGFBQFNROEIA-KRWDZBQOSA-N 0 1 297.377 3.627 20 0 CHADMN Cc1ccc(-c2csc(CN3CC[C@@H]4C[C@@H]4C3)n2)cc1 ZINC000661965989 1120848745 /nfs/dbraw/zinc/84/87/45/1120848745.db2.gz CTEITNITPDDEQF-HUUCEWRRSA-N 0 1 284.428 3.960 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000652396421 1120851799 /nfs/dbraw/zinc/85/17/99/1120851799.db2.gz ZVPJDYLXNODCMZ-HZMBPMFUSA-N 0 1 299.773 3.727 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+](C1CC1)C1CCCCC1 ZINC000652401253 1120855192 /nfs/dbraw/zinc/85/51/92/1120855192.db2.gz UXMAKJTYTBVIJH-UHFFFAOYSA-N 0 1 277.364 3.583 20 0 CHADMN CC(C)c1noc([C@H](C)N[C@H](C)C2CCC(F)CC2)n1 ZINC000661998982 1120856195 /nfs/dbraw/zinc/85/61/95/1120856195.db2.gz AMWAPBJDRWSYSN-IALDZJHCSA-N 0 1 283.391 3.760 20 0 CHADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+](C)C[C@H](C)c1ccccc1 ZINC000652409224 1120856617 /nfs/dbraw/zinc/85/66/17/1120856617.db2.gz ZPSXLWRAXBMGPH-MAUKXSAKSA-N 0 1 297.398 3.856 20 0 CHADMN C[N@@H+](CCCCCC(=O)[O-])Cc1ccc(F)cc1Cl ZINC000652410651 1120857839 /nfs/dbraw/zinc/85/78/39/1120857839.db2.gz LUWFMCXAHKATOT-UHFFFAOYSA-N 0 1 287.762 3.556 20 0 CHADMN CCCCc1nc2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2[nH]1 ZINC000049428888 1120858323 /nfs/dbraw/zinc/85/83/23/1120858323.db2.gz RJCKPSBUYLUMGA-CMPLNLGQSA-N 0 1 271.364 3.500 20 0 CHADMN C[N@@H+](CCC(C)(C)C)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000652417097 1120859634 /nfs/dbraw/zinc/85/96/34/1120859634.db2.gz XHTVRYQSAHPNGP-CYBMUJFWSA-N 0 1 283.799 3.834 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@H+]1CC[C@H](C(=O)[O-])c1ccccc1 ZINC000652425167 1120860117 /nfs/dbraw/zinc/86/01/17/1120860117.db2.gz DRMLXDSHAKPNJW-HOTGVXAUSA-N 0 1 289.419 3.755 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000652420982 1120860583 /nfs/dbraw/zinc/86/05/83/1120860583.db2.gz SSUASHQMMSPSMZ-IAGOWNOFSA-N 0 1 289.419 3.900 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000652429938 1120861465 /nfs/dbraw/zinc/86/14/65/1120861465.db2.gz BZTTZHJRRVDUBV-WCQYABFASA-N 0 1 281.421 3.847 20 0 CHADMN Cc1cccnc1CNCc1ccccc1C1CC1 ZINC000094357920 1120866461 /nfs/dbraw/zinc/86/64/61/1120866461.db2.gz SYUGNROTYBWHNV-UHFFFAOYSA-N 0 1 252.361 3.557 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000652463484 1120866672 /nfs/dbraw/zinc/86/66/72/1120866672.db2.gz IGSZLXKREPXCET-MRXNPFEDSA-N 0 1 297.398 3.977 20 0 CHADMN CCO[C@@H](C)c1nc(CNC2(CC(C)C)CC2)cs1 ZINC000662070118 1120869193 /nfs/dbraw/zinc/86/91/93/1120869193.db2.gz SOUDQGNQGIDORJ-LBPRGKRZSA-N 0 1 282.453 3.909 20 0 CHADMN Cc1ccc(-c2ccc([C@H]3COCCN3)cc2)c(F)c1F ZINC000630054610 1128946385 /nfs/dbraw/zinc/94/63/85/1128946385.db2.gz ZXKWXXKRIQTUDG-OAHLLOKOSA-N 0 1 289.325 3.601 20 0 CHADMN C[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000618850535 1128946451 /nfs/dbraw/zinc/94/64/51/1128946451.db2.gz GFIYLHAQWGBBFV-CYBMUJFWSA-N 0 1 295.386 3.577 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000662133399 1120883280 /nfs/dbraw/zinc/88/32/80/1120883280.db2.gz MSVRVXIXVGBBIN-HYWTVENDSA-N 0 1 277.412 3.691 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000252538819 1120884385 /nfs/dbraw/zinc/88/43/85/1120884385.db2.gz AWUMXODHGLGZGY-OLZOCXBDSA-N 0 1 279.380 3.797 20 0 CHADMN CCCc1noc(CN2CCCC[C@H]2CC2CCC2)n1 ZINC000662154483 1120886926 /nfs/dbraw/zinc/88/69/26/1120886926.db2.gz ASOJQKFAVPXHFC-AWEZNQCLSA-N 0 1 277.412 3.567 20 0 CHADMN CC[C@@H]1CCC[C@H](C)N1Cc1nc(-c2ccsc2)no1 ZINC000662158572 1120888285 /nfs/dbraw/zinc/88/82/85/1120888285.db2.gz UUTPGFZLKUMSDM-WCQYABFASA-N 0 1 291.420 3.951 20 0 CHADMN COCc1nc(CN2CCCC[C@@H]2CC2CCC2)cs1 ZINC000662157139 1120888551 /nfs/dbraw/zinc/88/85/51/1120888551.db2.gz OFYPDALYRGDDDZ-OAHLLOKOSA-N 0 1 294.464 3.834 20 0 CHADMN COCc1nc(CN2CCCC[C@H]2CC2CCC2)cs1 ZINC000662157136 1120888715 /nfs/dbraw/zinc/88/87/15/1120888715.db2.gz OFYPDALYRGDDDZ-HNNXBMFYSA-N 0 1 294.464 3.834 20 0 CHADMN CC(C)Cn1ccnc1NCc1ccc(F)c(F)c1F ZINC000663256894 1120902611 /nfs/dbraw/zinc/90/26/11/1120902611.db2.gz JFBUIZZFMUAURX-UHFFFAOYSA-N 0 1 283.297 3.569 20 0 CHADMN CC[N@@H+](Cc1ccccc1Oc1ccccc1)[C@H](C)C(=O)[O-] ZINC000662216604 1120905119 /nfs/dbraw/zinc/90/51/19/1120905119.db2.gz QFMCIXIAJGYXJN-CQSZACIVSA-N 0 1 299.370 3.774 20 0 CHADMN FC(F)c1ccc(CN2CCC[C@@H](OC3CCC3)C2)cn1 ZINC000630072530 1128948796 /nfs/dbraw/zinc/94/87/96/1128948796.db2.gz QLKYOZBXJDYULD-CQSZACIVSA-N 0 1 296.361 3.553 20 0 CHADMN CC(C)CC[N@@H+](Cc1cccc(Br)n1)C1CC1 ZINC000310127137 1120918274 /nfs/dbraw/zinc/91/82/74/1120918274.db2.gz JOBQHTMAEVQWSI-UHFFFAOYSA-N 0 1 297.240 3.855 20 0 CHADMN C[C@@H](NCCOCCF)c1cc(Cl)ccc1Cl ZINC000663310925 1120921047 /nfs/dbraw/zinc/92/10/47/1120921047.db2.gz OCLDFKUODNNQBC-SECBINFHSA-N 0 1 280.170 3.630 20 0 CHADMN CC12CC(C1)CN2Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000662380970 1120931536 /nfs/dbraw/zinc/93/15/36/1120931536.db2.gz MFCSONWWVKKCQW-UHFFFAOYSA-N 0 1 288.778 3.979 20 0 CHADMN Cc1ccc(-c2cnc(CN3CC4CC3(C)C4)o2)cc1 ZINC000662383666 1120932567 /nfs/dbraw/zinc/93/25/67/1120932567.db2.gz OQDCHOHWZCKRRI-UHFFFAOYSA-N 0 1 268.360 3.634 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@H](C)N1CC2CC1(C)C2 ZINC000662381536 1120932969 /nfs/dbraw/zinc/93/29/69/1120932969.db2.gz VTHFSLACFITZNJ-VNSJNIRKSA-N 0 1 286.419 3.621 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N2CC3CC2(C)C3)n1 ZINC000662384289 1120933184 /nfs/dbraw/zinc/93/31/84/1120933184.db2.gz WXCRNHRKZMOIKF-POZPTJLLSA-N 0 1 283.375 3.590 20 0 CHADMN CC(C)c1cccc(CNCc2n[nH]c(C(C)(C)C)n2)c1 ZINC000663328872 1120935115 /nfs/dbraw/zinc/93/51/15/1120935115.db2.gz PXOZDBBPZJRMAI-UHFFFAOYSA-N 0 1 286.423 3.515 20 0 CHADMN C[C@H]([N@@H+](C)Cc1csc(C2CC2)n1)C1(C)CC1 ZINC000162227220 1120936299 /nfs/dbraw/zinc/93/62/99/1120936299.db2.gz CBZRQYUVDURNCA-JTQLQIEISA-N 0 1 250.411 3.641 20 0 CHADMN C[C@H](N(C)Cc1csc(C2CC2)n1)C1(C)CC1 ZINC000162227220 1120936303 /nfs/dbraw/zinc/93/63/03/1120936303.db2.gz CBZRQYUVDURNCA-JTQLQIEISA-N 0 1 250.411 3.641 20 0 CHADMN CC1CCC(N(C)Cc2nc(-c3ccsc3)no2)CC1 ZINC000061799185 1120937462 /nfs/dbraw/zinc/93/74/62/1120937462.db2.gz XZEFAVFBFOPBJA-UHFFFAOYSA-N 0 1 291.420 3.809 20 0 CHADMN CC1(C)C[C@@]1(NCc1ccnn1CC1CC1)c1ccccc1 ZINC000663341704 1120939491 /nfs/dbraw/zinc/93/94/91/1120939491.db2.gz RQBVFHHAMPWXGY-LJQANCHMSA-N 0 1 295.430 3.708 20 0 CHADMN CCCN1CCC[C@H]1C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000343906054 1120954556 /nfs/dbraw/zinc/95/45/56/1120954556.db2.gz MBPZYOKCFRXESU-INIZCTEOSA-N 0 1 290.382 3.516 20 0 CHADMN CC(C)n1ccc(CN[C@@H]2CCCc3ccccc32)n1 ZINC000069988565 1120959455 /nfs/dbraw/zinc/95/94/55/1120959455.db2.gz LVLBNXMTYDEICI-QGZVFWFLSA-N 0 1 269.392 3.631 20 0 CHADMN C[C@@H](NCCOCCF)c1cc(F)c(Cl)cc1Cl ZINC000663462320 1120978365 /nfs/dbraw/zinc/97/83/65/1120978365.db2.gz AYUGRQQJNDUVTA-MRVPVSSYSA-N 0 1 298.160 3.769 20 0 CHADMN CCn1nccc1CN[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000663468131 1120983606 /nfs/dbraw/zinc/98/36/06/1120983606.db2.gz ASCGHPPMRUNWAU-ZDUSSCGKSA-N 0 1 283.375 3.808 20 0 CHADMN CCn1nccc1CN[C@H]1CCCc2c(Cl)cccc21 ZINC000663471623 1120985368 /nfs/dbraw/zinc/98/53/68/1120985368.db2.gz UQPJIMJGQNPLAV-INIZCTEOSA-N 0 1 289.810 3.724 20 0 CHADMN FC(F)(F)c1ccncc1CN[C@H]1CCCc2occc21 ZINC000663471580 1120985433 /nfs/dbraw/zinc/98/54/33/1120985433.db2.gz SNRBSOWRRZNQEI-ZDUSSCGKSA-N 0 1 296.292 3.861 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C(C)(C)CC(F)(F)F ZINC000613917881 1120988735 /nfs/dbraw/zinc/98/87/35/1120988735.db2.gz IRNXLJRZMNOOTR-UHFFFAOYSA-N 0 1 299.296 3.788 20 0 CHADMN CCN(Cc1ccc(Cl)cc1)Cc1cncc(OC)c1 ZINC000343947221 1120990280 /nfs/dbraw/zinc/99/02/80/1120990280.db2.gz BUZMIZAQOCQOMF-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C1CCC2(CC2)CC1 ZINC000613918635 1120991559 /nfs/dbraw/zinc/99/15/59/1120991559.db2.gz QUQKHNKIQLQPGC-UHFFFAOYSA-N 0 1 283.375 3.780 20 0 CHADMN c1ccc(-c2noc(CNC3CC4(C3)CCCC4)n2)cc1 ZINC000893622829 1120999398 /nfs/dbraw/zinc/99/93/98/1120999398.db2.gz UUEIGUOORIDCEE-UHFFFAOYSA-N 0 1 283.375 3.549 20 0 CHADMN CCCOc1ncccc1CNCc1cccc2c1CCC2 ZINC001648930855 1121003009 /nfs/dbraw/zinc/00/30/09/1121003009.db2.gz LONFGEKSFWWOOC-UHFFFAOYSA-N 0 1 296.414 3.649 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccnc(Cl)c2)cc1F ZINC000182008036 1121019669 /nfs/dbraw/zinc/01/96/69/1121019669.db2.gz RKXKYHABNHADDV-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN C=CNc1cc([C@@H]2CCCCN2C(=O)OC(C)(C)C)no1 ZINC001174783041 1121030916 /nfs/dbraw/zinc/03/09/16/1121030916.db2.gz AQOOVFRQHOKBBL-LBPRGKRZSA-N 0 1 293.367 3.692 20 0 CHADMN Cc1ccc(-c2noc([C@@H](C)NCCC(C)C)n2)cc1F ZINC000543542154 1121035106 /nfs/dbraw/zinc/03/51/06/1121035106.db2.gz IHJACWHKNLRUAV-GFCCVEGCSA-N 0 1 291.370 3.881 20 0 CHADMN Cc1cccc(Nc2ccc(N3CCN(C)CC3)cc2)c1F ZINC001174815721 1121044340 /nfs/dbraw/zinc/04/43/40/1121044340.db2.gz QXIVERRIVNYIJL-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN c1sc(C[N@H+]2CCC[C@H](C3CC3)C2)nc1C1CC1 ZINC000343996475 1121047488 /nfs/dbraw/zinc/04/74/88/1121047488.db2.gz RZRHAYIYBWKFEQ-ZDUSSCGKSA-N 0 1 262.422 3.643 20 0 CHADMN c1sc(CN2CCC[C@H](C3CC3)C2)nc1C1CC1 ZINC000343996475 1121047495 /nfs/dbraw/zinc/04/74/95/1121047495.db2.gz RZRHAYIYBWKFEQ-ZDUSSCGKSA-N 0 1 262.422 3.643 20 0 CHADMN CC[C@H](C)CN1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000350989958 1121056352 /nfs/dbraw/zinc/05/63/52/1121056352.db2.gz NBVZLBIRARZKJR-NSHDSACASA-N 0 1 260.356 3.711 20 0 CHADMN CC(C)CCOCCN1CC[C@H]1c1cccc(F)c1 ZINC000674047530 1121058415 /nfs/dbraw/zinc/05/84/15/1121058415.db2.gz LHUSZHUNXDMBKR-INIZCTEOSA-N 0 1 265.372 3.635 20 0 CHADMN COc1ccc2c(c1)C[C@@H](CN1Cc3ccccc3[C@H]1C)O2 ZINC001174854900 1121065476 /nfs/dbraw/zinc/06/54/76/1121065476.db2.gz VRZHTBGLNSAMOL-DYVFJYSZSA-N 0 1 295.382 3.576 20 0 CHADMN CCCCCC[C@H](CC)CN(C)Cc1ncccn1 ZINC001174852595 1121066068 /nfs/dbraw/zinc/06/60/68/1121066068.db2.gz DMFHRVRCIZHQRT-HNNXBMFYSA-N 0 1 263.429 3.905 20 0 CHADMN CC1(C)CCC(C)(C)N(Cc2nc(-c3ccoc3)no2)C1 ZINC000625723477 1121071005 /nfs/dbraw/zinc/07/10/05/1121071005.db2.gz PQTSYUSNNXMULJ-UHFFFAOYSA-N 0 1 289.379 3.730 20 0 CHADMN Cc1ccc(-c2nnc(CN(C)C[C@H]3CC=CCC3)o2)cc1 ZINC000344079442 1121076418 /nfs/dbraw/zinc/07/64/18/1121076418.db2.gz YKJHLQWMLQXVKH-HNNXBMFYSA-N 0 1 297.402 3.833 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@H]1CCCc3sccc31)CO2 ZINC000344092221 1121078200 /nfs/dbraw/zinc/07/82/00/1121078200.db2.gz BBUDHSRUUPCVAM-KBPBESRZSA-N 0 1 289.375 3.988 20 0 CHADMN CCN1C[C@H](C)N(C(=O)CCCCC(C)(C)C)C[C@@H]1C ZINC001127684116 1128961043 /nfs/dbraw/zinc/96/10/43/1128961043.db2.gz QGPCCOUJQBMPHT-GJZGRUSLSA-N 0 1 282.472 3.534 20 0 CHADMN Cc1ccc2nc(C3C[C@H](C)O[C@@H](C)C3)[nH]c2c1C ZINC000724362562 1121083174 /nfs/dbraw/zinc/08/31/74/1121083174.db2.gz LOLUFGJFXOWYDX-QWRGUYRKSA-N 0 1 258.365 3.851 20 0 CHADMN FC(F)n1ccnc1CN1CCC2(CCCCC2)CC1 ZINC000171040598 1121086703 /nfs/dbraw/zinc/08/67/03/1121086703.db2.gz GJTHEZXEXAIZGF-UHFFFAOYSA-N 0 1 283.366 3.825 20 0 CHADMN CC(C)(C)OCc1ccc(Nc2ccnc(CO)c2)cc1 ZINC001174910014 1121089016 /nfs/dbraw/zinc/08/90/16/1121089016.db2.gz FGTSZIRJMJLCHM-UHFFFAOYSA-N 0 1 286.375 3.633 20 0 CHADMN Cc1ccc(CN2Cc3ccccc3OC(C)(C)C2)nc1 ZINC000344123616 1121090620 /nfs/dbraw/zinc/09/06/20/1121090620.db2.gz VERGAFANPFAOFA-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN COCC(C)(C)NCc1nc2ccccc2c(C)c1Cl ZINC000171204323 1121102339 /nfs/dbraw/zinc/10/23/39/1121102339.db2.gz QJYUKIXLGKHDKC-UHFFFAOYSA-N 0 1 292.810 3.711 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c(F)c1 ZINC000661878746 1121103609 /nfs/dbraw/zinc/10/36/09/1121103609.db2.gz QZPNKKUXKRRXMT-PBHICJAKSA-N 0 1 295.373 3.746 20 0 CHADMN Cc1cc(C(=O)CN2CC[C@@H](c3cccc(C)c3)C2)c(C)[nH]1 ZINC000344148799 1121103909 /nfs/dbraw/zinc/10/39/09/1121103909.db2.gz JFNAAIGFXXMSKT-QGZVFWFLSA-N 0 1 296.414 3.612 20 0 CHADMN CC(C)c1nc(CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cs1 ZINC000344153140 1121106085 /nfs/dbraw/zinc/10/60/85/1121106085.db2.gz YOZOTJROWZJASF-MJBXVCDLSA-N 0 1 294.464 3.560 20 0 CHADMN CCCCCC(C)(C)C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001127685009 1128963111 /nfs/dbraw/zinc/96/31/11/1128963111.db2.gz ZOYUXECJACPHIB-HUUCEWRRSA-N 0 1 282.472 3.534 20 0 CHADMN CCCCCC(C)(C)C(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC001127685009 1128963115 /nfs/dbraw/zinc/96/31/15/1128963115.db2.gz ZOYUXECJACPHIB-HUUCEWRRSA-N 0 1 282.472 3.534 20 0 CHADMN CCN(CC)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000000246233 1121113191 /nfs/dbraw/zinc/11/31/91/1121113191.db2.gz VRJNSXAFQXXENL-KRWDZBQOSA-N 0 1 288.435 3.518 20 0 CHADMN C[C@@H](CCN1Cc2ccc(O)cc2C1)OCc1ccccc1 ZINC000625726753 1121116689 /nfs/dbraw/zinc/11/66/89/1121116689.db2.gz BWOOANJGKYZQFM-HNNXBMFYSA-N 0 1 297.398 3.703 20 0 CHADMN COc1cccnc1CN[C@@H](C)c1cc2ccncc2s1 ZINC000658031488 1121121266 /nfs/dbraw/zinc/12/12/66/1121121266.db2.gz GUCKCKNTCQTYBT-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN CC[C@@]1(C)CCN(CC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000344215437 1121121668 /nfs/dbraw/zinc/12/16/68/1121121668.db2.gz KEUZPRCRLAULIG-SFHVURJKSA-N 0 1 288.435 3.672 20 0 CHADMN CCCCOc1ccccc1-n1c(N)nc2ccccc21 ZINC001174996370 1121123037 /nfs/dbraw/zinc/12/30/37/1121123037.db2.gz BIZNDWCZKULTRC-UHFFFAOYSA-N 0 1 281.359 3.787 20 0 CHADMN CC(C)c1ccc(CN(C)Cc2nnc[nH]2)c(C(C)C)c1 ZINC000674371862 1121124908 /nfs/dbraw/zinc/12/49/08/1121124908.db2.gz ILYRBQARQKCYPY-UHFFFAOYSA-N 0 1 286.423 3.684 20 0 CHADMN C[C@@H]1C[C@H](NCc2cn3ccccc3n2)c2ccccc21 ZINC000344224633 1121125565 /nfs/dbraw/zinc/12/55/65/1121125565.db2.gz QVJWVRDCIDXIKM-DYVFJYSZSA-N 0 1 277.371 3.672 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1CCCCC[C@H]1C ZINC000512156025 1121127820 /nfs/dbraw/zinc/12/78/20/1121127820.db2.gz WZTYCBPHGAFOMJ-GFCCVEGCSA-N 0 1 294.826 3.851 20 0 CHADMN Cc1nc([C@H](C)NCCSC(C)C)c(C)s1 ZINC000309353418 1121130643 /nfs/dbraw/zinc/13/06/43/1121130643.db2.gz MWDGZOZJEBFBFQ-VIFPVBQESA-N 0 1 258.456 3.552 20 0 CHADMN C[C@H]1CCCCCN1CC(=O)Nc1cccc(Cl)c1 ZINC000512164273 1121132001 /nfs/dbraw/zinc/13/20/01/1121132001.db2.gz LPVGFSSRHMIWLF-LBPRGKRZSA-N 0 1 280.799 3.543 20 0 CHADMN CC(C)[C@H](NCc1sccc1Cl)c1cnn(C)c1 ZINC000922892250 1121133930 /nfs/dbraw/zinc/13/39/30/1121133930.db2.gz BFEODZNGERHIEA-ZDUSSCGKSA-N 0 1 283.828 3.622 20 0 CHADMN Cc1ncncc1[C@H](C)NCc1cc(Cl)cc(Cl)c1 ZINC000658056561 1121135065 /nfs/dbraw/zinc/13/50/65/1121135065.db2.gz XZVQZRRSHTUINL-VIFPVBQESA-N 0 1 296.201 3.943 20 0 CHADMN Cc1cc(C)cc(C(=O)Nc2cccc(Cl)c2O)c1 ZINC000172111819 1121139217 /nfs/dbraw/zinc/13/92/17/1121139217.db2.gz KKQDUDVUKVEBKG-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN CCCCS[C@H](C)C(=O)Nc1cccc(Cl)c1O ZINC000172108903 1121139696 /nfs/dbraw/zinc/13/96/96/1121139696.db2.gz NJBUOYZDALSQPU-SECBINFHSA-N 0 1 287.812 3.906 20 0 CHADMN Cc1ccc(C)c(C(=O)Nc2cccc(Cl)c2O)c1 ZINC000172356311 1121147001 /nfs/dbraw/zinc/14/70/01/1121147001.db2.gz JPSBIPBSLINWKR-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN C[C@H](CN1CCn2cccc2[C@H]1C)c1ccccc1 ZINC000172334336 1121147444 /nfs/dbraw/zinc/14/74/44/1121147444.db2.gz TZLVYUSSWMYRDM-HUUCEWRRSA-N 0 1 254.377 3.668 20 0 CHADMN Cc1cc(O)cc(C)c1C[N@@H+](Cc1ccco1)C1CC1 ZINC001139714966 1121155598 /nfs/dbraw/zinc/15/55/98/1121155598.db2.gz BMIIDGPKLVPYKU-UHFFFAOYSA-N 0 1 271.360 3.767 20 0 CHADMN Cc1cc(O)cc(C)c1CN(Cc1ccco1)C1CC1 ZINC001139714966 1121155600 /nfs/dbraw/zinc/15/56/00/1121155600.db2.gz BMIIDGPKLVPYKU-UHFFFAOYSA-N 0 1 271.360 3.767 20 0 CHADMN C/C=C\C[C@@H]1CCCN([C@H](C(=O)OC)c2ccccc2)C1 ZINC001175056330 1121163164 /nfs/dbraw/zinc/16/31/64/1121163164.db2.gz ZGDRIXAWOPQYEU-MXTKCAFNSA-N 0 1 287.403 3.579 20 0 CHADMN CCOc1cccc([C@H](C)NCc2scnc2C)c1 ZINC000351573522 1121167427 /nfs/dbraw/zinc/16/74/27/1121167427.db2.gz KBNMBCXQHLJRBF-NSHDSACASA-N 0 1 276.405 3.701 20 0 CHADMN Fc1cc(CN2CCOC[C@@H](C3CCC3)C2)ccc1Cl ZINC000429239239 1121170725 /nfs/dbraw/zinc/17/07/25/1121170725.db2.gz PVZPFPKFMXDCEK-AWEZNQCLSA-N 0 1 297.801 3.728 20 0 CHADMN OC[C@@H]1CCCC[N@H+]1Cc1ccccc1Oc1ccccc1 ZINC000674713996 1121171628 /nfs/dbraw/zinc/17/16/28/1121171628.db2.gz KGEHUMSNNHTDBL-KRWDZBQOSA-N 0 1 297.398 3.826 20 0 CHADMN N=CNc1cc(Cl)nc2cccc(Br)c21 ZINC001167867232 1121173202 /nfs/dbraw/zinc/17/32/02/1121173202.db2.gz JHVSSAOVUDUVCM-UHFFFAOYSA-N 0 1 284.544 3.670 20 0 CHADMN CC[C@H](Cc1ccccc1)N(C)Cc1c(Cl)cnn1C ZINC000187367096 1121181405 /nfs/dbraw/zinc/18/14/05/1121181405.db2.gz CSQGROVEKNYYSH-CQSZACIVSA-N 0 1 291.826 3.527 20 0 CHADMN CC[C@@H](NCc1ccc(C)nc1)c1ccccc1OC ZINC000062051277 1121187509 /nfs/dbraw/zinc/18/75/09/1121187509.db2.gz DBYCZKWLTOCJFE-MRXNPFEDSA-N 0 1 270.376 3.640 20 0 CHADMN Clc1ccsc1CN1CCOC[C@@H](C2CCC2)C1 ZINC000429241225 1121188146 /nfs/dbraw/zinc/18/81/46/1121188146.db2.gz VWWPKANSCSOMHD-LBPRGKRZSA-N 0 1 285.840 3.650 20 0 CHADMN FC(F)(F)c1n[nH]c2c1CCN(C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207632420 1121200458 /nfs/dbraw/zinc/20/04/58/1121200458.db2.gz ODTJNSYNBUKTPB-OXIWPEFWSA-N 0 1 297.324 3.555 20 0 CHADMN Cc1cc(Nc2cc(=O)[nH]c(Cl)n2)ccc1OC(C)C ZINC001175191967 1121203614 /nfs/dbraw/zinc/20/36/14/1121203614.db2.gz HZFXWRUZIJVTSN-UHFFFAOYSA-N 0 1 293.754 3.675 20 0 CHADMN Cc1noc(C)c1CNCc1cccc2ccccc21 ZINC000063550388 1121204015 /nfs/dbraw/zinc/20/40/15/1121204015.db2.gz AFVDBIXOUVMPLN-UHFFFAOYSA-N 0 1 266.344 3.734 20 0 CHADMN C[C@@H]1CN(Cc2cccc3nsnc32)[C@H]1c1ccccc1 ZINC000766085281 1121204403 /nfs/dbraw/zinc/20/44/03/1121204403.db2.gz RZDPOBTYMKUBIB-SJKOYZFVSA-N 0 1 295.411 3.884 20 0 CHADMN CCO[C@@H]1C[C@H](N(C)Cc2conc2C)C12CCCCC2 ZINC000351660030 1121204900 /nfs/dbraw/zinc/20/49/00/1121204900.db2.gz WXGDDEZVUPIGES-JKSUJKDBSA-N 0 1 292.423 3.543 20 0 CHADMN CCOc1ccc(-n2c(N)nc3ccc(C)cc32)cc1C ZINC001175167299 1121212661 /nfs/dbraw/zinc/21/26/61/1121212661.db2.gz YYTKPGPMXYNRTL-UHFFFAOYSA-N 0 1 281.359 3.623 20 0 CHADMN CC(C)CCN(Cc1ccncc1Cl)C1CC1 ZINC000173572092 1121214491 /nfs/dbraw/zinc/21/44/91/1121214491.db2.gz RUVKXOGBJMHIDM-UHFFFAOYSA-N 0 1 252.789 3.746 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1cnn(CC(F)(F)F)c1 ZINC000349524108 1121216872 /nfs/dbraw/zinc/21/68/72/1121216872.db2.gz RNPGKTKIQOJLQF-GFCCVEGCSA-N 0 1 297.324 3.638 20 0 CHADMN Cc1ccccc1CN[C@H]1COc2c1cccc2Cl ZINC000675103050 1121216958 /nfs/dbraw/zinc/21/69/58/1121216958.db2.gz HCDPIOFLWKRWDS-HNNXBMFYSA-N 0 1 273.763 3.872 20 0 CHADMN C[C@@H](NCc1c(C2CC2)cnn1C)c1csc(Cl)c1 ZINC000658212473 1121225408 /nfs/dbraw/zinc/22/54/08/1121225408.db2.gz KTSPQWFITQMTIH-SECBINFHSA-N 0 1 295.839 3.863 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2c(O)cccc2F)C1 ZINC000436704427 1121239161 /nfs/dbraw/zinc/23/91/61/1121239161.db2.gz LYVZZPFPPRHMDA-IUODEOHRSA-N 0 1 299.345 3.755 20 0 CHADMN CCOC1(C)CCN(Cc2cccc(OC)c2Cl)CC1 ZINC000660605832 1121256916 /nfs/dbraw/zinc/25/69/16/1121256916.db2.gz LHRKAYBIOYUWRJ-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN CCc1nocc1CN1CCC[C@H]1/C=C/c1ccccc1 ZINC000512339635 1121275445 /nfs/dbraw/zinc/27/54/45/1121275445.db2.gz XZBXZHLPTGCLDA-DVQDXYAYSA-N 0 1 282.387 3.915 20 0 CHADMN CCCCCc1cc(C(=O)N2CC3(CCC3)C[C@H]2C)n[nH]1 ZINC000614012061 1121275482 /nfs/dbraw/zinc/27/54/82/1121275482.db2.gz GIWZAKSURMFOIV-CYBMUJFWSA-N 0 1 289.423 3.547 20 0 CHADMN CC(C)(C)c1nc[nH]c1C(=O)Nc1cccc(C(F)F)c1 ZINC000630887045 1128974362 /nfs/dbraw/zinc/97/43/62/1128974362.db2.gz KJXBEWJKUWQQLV-UHFFFAOYSA-N 0 1 293.317 3.897 20 0 CHADMN CCN[C@@H](C)c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000233553666 1121282679 /nfs/dbraw/zinc/28/26/79/1121282679.db2.gz ZBBDHZIJYMMCHH-ZETCQYMHSA-N 0 1 286.162 3.714 20 0 CHADMN Cc1cc(CN[C@@H]2CCCOc3cc(F)ccc32)sn1 ZINC000638845366 1121282682 /nfs/dbraw/zinc/28/26/82/1121282682.db2.gz NOTZGAMYOKJRKR-CQSZACIVSA-N 0 1 292.379 3.594 20 0 CHADMN C[C@H](N[C@H](CCO)c1cccs1)c1ccccc1F ZINC000766127176 1121289879 /nfs/dbraw/zinc/28/98/79/1121289879.db2.gz AXORMFZQLMSXPV-SMDDNHRTSA-N 0 1 279.380 3.662 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(C(F)(F)F)s2)[C@H]1C ZINC000432724469 1121297160 /nfs/dbraw/zinc/29/71/60/1121297160.db2.gz GFGLYJMMXHNWLJ-BDAKNGLRSA-N 0 1 263.328 3.997 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2nc3ccc(F)cc3s2)C1 ZINC000432738836 1121304710 /nfs/dbraw/zinc/30/47/10/1121304710.db2.gz NERIHNZTZWHZJE-PHIMTYICSA-N 0 1 278.396 3.913 20 0 CHADMN C[C@@H](N[C@H](CCO)c1cccs1)c1cc(F)ccc1F ZINC000766138878 1121309310 /nfs/dbraw/zinc/30/93/10/1121309310.db2.gz ZOQWQLSODJKKKA-QMTHXVAHSA-N 0 1 297.370 3.801 20 0 CHADMN Cc1occc1CNCc1cc(F)cc2cccnc21 ZINC000675470203 1121311776 /nfs/dbraw/zinc/31/17/76/1121311776.db2.gz HFNSWSSZRPFWLG-UHFFFAOYSA-N 0 1 270.307 3.565 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2N[C@@H](c1nccn1C)C1CC1 ZINC000658336830 1121313428 /nfs/dbraw/zinc/31/34/28/1121313428.db2.gz BUOFCWKVMMTALM-ZWKOTPCHSA-N 0 1 295.430 3.847 20 0 CHADMN CC(C)C[C@@H](N[C@H](C)c1nccn1C)c1ccc(F)cc1 ZINC000658339412 1121314413 /nfs/dbraw/zinc/31/44/13/1121314413.db2.gz RMBKAWPJRZTRLI-CZUORRHYSA-N 0 1 289.398 3.997 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2N[C@@H]1CCCn2ccnc21 ZINC000658340274 1121316581 /nfs/dbraw/zinc/31/65/81/1121316581.db2.gz NHQSGSNJMGJJTR-DLBZAZTESA-N 0 1 281.403 3.694 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](CC2CC2)c2ccccc2)on1 ZINC000925866875 1121319393 /nfs/dbraw/zinc/31/93/93/1121319393.db2.gz ZXKUVVPQAXOCNG-DOMZBBRYSA-N 0 1 286.375 3.875 20 0 CHADMN C[C@H](N[C@H](CC1CC1)c1ccccc1)c1cn(C)cn1 ZINC000925866866 1121320412 /nfs/dbraw/zinc/32/04/12/1121320412.db2.gz ZPIPJJAKEQXEJS-XJKSGUPXSA-N 0 1 269.392 3.612 20 0 CHADMN CC1CCN(CC(=O)N(C)c2cccc3ccccc32)CC1 ZINC000675554661 1121325433 /nfs/dbraw/zinc/32/54/33/1121325433.db2.gz RUZSJMWCWSWRGP-UHFFFAOYSA-N 0 1 296.414 3.535 20 0 CHADMN Cc1cc2c(cccc2N)n1-c1ccc2n[nH]cc2c1C ZINC001175467197 1121331074 /nfs/dbraw/zinc/33/10/74/1121331074.db2.gz NHEVTOFALHRCCO-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN CCc1ccc(CNC[C@H](OC)c2ccccc2Cl)o1 ZINC000675643954 1121333627 /nfs/dbraw/zinc/33/36/27/1121333627.db2.gz HXGVQLSERJOSHI-INIZCTEOSA-N 0 1 293.794 3.973 20 0 CHADMN Cc1nc2cc(Nc3ccc4c(c3)[C@H](O)CC4)ccc2[nH]1 ZINC001213077357 1121336107 /nfs/dbraw/zinc/33/61/07/1121336107.db2.gz TYGGJCVKUROUIC-QGZVFWFLSA-N 0 1 279.343 3.595 20 0 CHADMN Fc1ccc2c(c1)nccc2N[C@H]1CCC(F)(F)C1 ZINC000675638944 1121336299 /nfs/dbraw/zinc/33/62/99/1121336299.db2.gz SSTGWHGKWKODMX-JTQLQIEISA-N 0 1 266.266 3.974 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccsc2)cc(Cl)n1 ZINC000401966375 1121338015 /nfs/dbraw/zinc/33/80/15/1121338015.db2.gz FPYUSJWWDGJWQF-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN COCc1ccc(CNCc2cccc(C(F)(F)F)c2)o1 ZINC000125067068 1121339456 /nfs/dbraw/zinc/33/94/56/1121339456.db2.gz DCHLJKGEDGNAOQ-UHFFFAOYSA-N 0 1 299.292 3.735 20 0 CHADMN CCn1nccc1CN[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000125156172 1121344812 /nfs/dbraw/zinc/34/48/12/1121344812.db2.gz IODPUZKXODEQSD-LLVKDONJSA-N 0 1 297.324 3.773 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)o1 ZINC000675730716 1121350079 /nfs/dbraw/zinc/35/00/79/1121350079.db2.gz ZCBHVJRSAZHLGN-CHWSQXEVSA-N 0 1 298.386 3.885 20 0 CHADMN Cc1cc(N=C2CCN(Cc3ccccc3)CC2)sn1 ZINC001175504788 1121350386 /nfs/dbraw/zinc/35/03/86/1121350386.db2.gz JDHCDIFYYLJMIY-UHFFFAOYSA-N 0 1 285.416 3.653 20 0 CHADMN Cc1occc1CN[C@H]1CCCOc2cc(C)ccc21 ZINC000675779900 1121356597 /nfs/dbraw/zinc/35/65/97/1121356597.db2.gz RCOWPTAEZKRREN-INIZCTEOSA-N 0 1 271.360 3.900 20 0 CHADMN Cc1cc2cc(N)ccc2n1-c1cc2cn[nH]c2c(C)c1 ZINC001175517284 1121358019 /nfs/dbraw/zinc/35/80/19/1121358019.db2.gz IGQHXDUVZLFIFI-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN C[C@H](N[C@H]1CSCc2ccccc21)c1ccoc1 ZINC000675783083 1121362068 /nfs/dbraw/zinc/36/20/68/1121362068.db2.gz SVKAXVLVMJUXSC-NHYWBVRUSA-N 0 1 259.374 3.918 20 0 CHADMN Cc1cc(-n2ccc3c2cc(F)cc3N)cc2cn[nH]c21 ZINC001175521761 1121362059 /nfs/dbraw/zinc/36/20/59/1121362059.db2.gz VRUKSCYPHCLLCT-UHFFFAOYSA-N 0 1 280.306 3.537 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cnc2cccc(C)n12 ZINC001175523018 1121362104 /nfs/dbraw/zinc/36/21/04/1121362104.db2.gz CWHIBXGQNVIVEK-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN CCOc1ncc(Nc2c3cn[nH]c3ccc2C)cc1F ZINC001175523725 1121363763 /nfs/dbraw/zinc/36/37/63/1121363763.db2.gz LIQFBLWBPXGJLO-UHFFFAOYSA-N 0 1 286.310 3.548 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(=O)[nH]c2ccccc12 ZINC001175524203 1121364042 /nfs/dbraw/zinc/36/40/42/1121364042.db2.gz PMWDQUABQURYML-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN CN1CCCC(=Nc2c(Cl)cnc(Cl)c2Cl)C1 ZINC001175577048 1121395869 /nfs/dbraw/zinc/39/58/69/1121395869.db2.gz OLCMCZICPLVAJN-UHFFFAOYSA-N 0 1 292.597 3.673 20 0 CHADMN CCC[C@@H](N[C@H](C)c1cnc(C)nc1C)c1ccccn1 ZINC000675815366 1121366510 /nfs/dbraw/zinc/36/65/10/1121366510.db2.gz BGMDPZQDGNLQLE-CXAGYDPISA-N 0 1 284.407 3.680 20 0 CHADMN CCc1ccc(CNCc2ccnn2CC2CCC2)s1 ZINC000631043171 1128980796 /nfs/dbraw/zinc/98/07/96/1128980796.db2.gz XTJZRFFYXNPEEA-UHFFFAOYSA-N 0 1 289.448 3.597 20 0 CHADMN CC(=O)c1cc(Nc2c3cn[nH]c3ccc2C)ccc1O ZINC001175526387 1121368650 /nfs/dbraw/zinc/36/86/50/1121368650.db2.gz NPLLCAMRNLAIJY-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN CC(=O)c1cccc(Nc2c3cn[nH]c3ccc2C)c1O ZINC001175526873 1121368816 /nfs/dbraw/zinc/36/88/16/1121368816.db2.gz YLTMSVFSFSGJHC-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(C2CCC2)no1 ZINC001175526058 1121369636 /nfs/dbraw/zinc/36/96/36/1121369636.db2.gz SHMSLBRYRJWZDF-UHFFFAOYSA-N 0 1 268.320 3.870 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccccc1[C@@H](C)O ZINC001175527404 1121369967 /nfs/dbraw/zinc/36/99/67/1121369967.db2.gz LQMVSTVALTUBLI-LLVKDONJSA-N 0 1 267.332 3.668 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2[nH]c(=O)ccc12 ZINC001175527257 1121371050 /nfs/dbraw/zinc/37/10/50/1121371050.db2.gz JRFSWIPQMARBMQ-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN COc1ccc(F)c(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175527612 1121371834 /nfs/dbraw/zinc/37/18/34/1121371834.db2.gz RIGAXLXRPAJKKO-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2c(c1)[C@H](O)CCC2 ZINC001175527251 1121371852 /nfs/dbraw/zinc/37/18/52/1121371852.db2.gz JNBRYEDFKIZHEE-QGZVFWFLSA-N 0 1 293.370 3.985 20 0 CHADMN Cc1cc(Nc2c3cn[nH]c3ccc2C)cc2snnc21 ZINC001175527653 1121371880 /nfs/dbraw/zinc/37/18/80/1121371880.db2.gz UDSWQWLPYBDICQ-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN CC(=O)c1cccc(O)c1Nc1c2cn[nH]c2ccc1C ZINC001175527233 1121371971 /nfs/dbraw/zinc/37/19/71/1121371971.db2.gz ILAHRWHABBKZKC-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN CN1CCC=C(Nc2ccc(OC3CCCC3)c(F)c2)C1 ZINC001175582869 1121372222 /nfs/dbraw/zinc/37/22/22/1121372222.db2.gz OHKBVWMELDIMPW-UHFFFAOYSA-N 0 1 290.382 3.778 20 0 CHADMN COc1ccc(CNCc2ccc(C)cc2F)cc1F ZINC000631043675 1128981292 /nfs/dbraw/zinc/98/12/92/1128981292.db2.gz VVBHAHQAMTZUFV-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN CC1=CC(=O)CN=C1NC=Cc1ccc(Cl)cc1 ZINC001175593598 1121376560 /nfs/dbraw/zinc/37/65/60/1121376560.db2.gz HFBYGKPAHNAHAW-VOTSOKGWSA-N 0 1 260.724 3.832 20 0 CHADMN CCCOc1cccc(Nc2ccc3nccn3c2)c1 ZINC001175598696 1121379670 /nfs/dbraw/zinc/37/96/70/1121379670.db2.gz XIOLDPIJZATYRD-UHFFFAOYSA-N 0 1 267.332 3.867 20 0 CHADMN CC[C@H](N[C@@H]1CCOc2c(OC)cccc21)c1ccncc1 ZINC000675900801 1121379704 /nfs/dbraw/zinc/37/97/04/1121379704.db2.gz PAHOGWSDOWKMAZ-JKSUJKDBSA-N 0 1 298.386 3.655 20 0 CHADMN CCOCC[N@@H+](C)Cc1ccc(-c2c(F)cccc2F)o1 ZINC000500760875 1121385988 /nfs/dbraw/zinc/38/59/88/1121385988.db2.gz ANCODHKZILPPBS-UHFFFAOYSA-N 0 1 295.329 3.693 20 0 CHADMN CCOCCN(C)Cc1ccc(-c2c(F)cccc2F)o1 ZINC000500760875 1121385999 /nfs/dbraw/zinc/38/59/99/1121385999.db2.gz ANCODHKZILPPBS-UHFFFAOYSA-N 0 1 295.329 3.693 20 0 CHADMN OCc1ccc(Nc2ccncc2Oc2ccccc2)cc1 ZINC001175563604 1121388176 /nfs/dbraw/zinc/38/81/76/1121388176.db2.gz ZMKHGWDTJTTZBZ-UHFFFAOYSA-N 0 1 292.338 3.532 20 0 CHADMN C[C@@H](N(C)Cc1c(Cl)nc2ccccn21)C1(C)CC1 ZINC000091900308 1121389082 /nfs/dbraw/zinc/38/90/82/1121389082.db2.gz WYRPLIDUDPRFLZ-LLVKDONJSA-N 0 1 277.799 3.608 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1cnc(Cl)s1 ZINC000692926830 1121393708 /nfs/dbraw/zinc/39/37/08/1121393708.db2.gz QWQYLZBRGYTGSH-PBINXNQUSA-N 0 1 256.802 3.559 20 0 CHADMN Cc1nc2cc(C)c(NC3=CCCN(C)C3)cc2s1 ZINC001175579404 1121396178 /nfs/dbraw/zinc/39/61/78/1121396178.db2.gz VQKHWFRCALUWOD-UHFFFAOYSA-N 0 1 273.405 3.544 20 0 CHADMN FC(F)c1ccc(C[N@H+]2CCC[C@@H]2c2cnccn2)cc1 ZINC001143251890 1121398523 /nfs/dbraw/zinc/39/85/23/1121398523.db2.gz ZWDLYJRUEVWMED-OAHLLOKOSA-N 0 1 289.329 3.751 20 0 CHADMN FC(F)c1ccc(CN2CCC[C@@H]2c2cnccn2)cc1 ZINC001143251890 1121398532 /nfs/dbraw/zinc/39/85/32/1121398532.db2.gz ZWDLYJRUEVWMED-OAHLLOKOSA-N 0 1 289.329 3.751 20 0 CHADMN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NCc1cc(C)no1 ZINC000631074754 1128982867 /nfs/dbraw/zinc/98/28/67/1128982867.db2.gz HTTWQMIYOVEDKB-ABAIWWIYSA-N 0 1 294.782 3.502 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1Cc1nc2ccccc2c(=O)[nH]1 ZINC000676041667 1121400115 /nfs/dbraw/zinc/40/01/15/1121400115.db2.gz KXEPQNKPHHOIFD-XJKSGUPXSA-N 0 1 299.418 3.736 20 0 CHADMN CN(Cc1ccc(F)cc1F)[C@H]1C[C@@H]1c1ccccc1 ZINC000676043703 1121401296 /nfs/dbraw/zinc/40/12/96/1121401296.db2.gz KFDGXBBLIQBRDY-WBVHZDCISA-N 0 1 273.326 3.953 20 0 CHADMN FC(F)c1ccc(CN[C@@H]2CSc3ccccc32)cn1 ZINC000631075660 1128983240 /nfs/dbraw/zinc/98/32/40/1128983240.db2.gz RNBWHNJOWIZDTL-CYBMUJFWSA-N 0 1 292.354 3.956 20 0 CHADMN C[C@H]1CCN(Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000419191361 1121408945 /nfs/dbraw/zinc/40/89/45/1121408945.db2.gz OAHJAXIXXYMWMT-NSHDSACASA-N 0 1 276.767 3.837 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(=O)[nH]c4ccccc34)cc12 ZINC001175694862 1121414790 /nfs/dbraw/zinc/41/47/90/1121414790.db2.gz AQHXHZMXMFQFQA-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ncnc4sccc43)cc12 ZINC001175692881 1121415192 /nfs/dbraw/zinc/41/51/92/1121415192.db2.gz OLKDHDSDLBFRDE-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN CCCN(C/C(Cl)=C/Cl)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000763559901 1128983888 /nfs/dbraw/zinc/98/38/88/1128983888.db2.gz IDRZWZBZSDKQAD-FSMOSLCJSA-N 0 1 292.250 3.831 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(F)c(F)c3)cc12 ZINC001175699780 1121417717 /nfs/dbraw/zinc/41/77/17/1121417717.db2.gz RPWZXJYYYKWXBW-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN CC(=O)c1cc(Nc2ccc3n[nH]c(C)c3c2)ccc1F ZINC001175700681 1121417797 /nfs/dbraw/zinc/41/77/97/1121417797.db2.gz RNRYHYXMJHIBJY-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN COc1ccc(Nc2ccc3n[nH]c(C)c3c2)cc1C ZINC001175699723 1121418046 /nfs/dbraw/zinc/41/80/46/1121418046.db2.gz CGSSGRYNKHKIEJ-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN CC[C@H](NCc1ccc(C)cc1F)c1c(C)nn(C)c1C ZINC000631085364 1128984087 /nfs/dbraw/zinc/98/40/87/1128984087.db2.gz SWTSSSPVPPKEIG-INIZCTEOSA-N 0 1 289.398 3.725 20 0 CHADMN COC(=O)c1cc(F)cc(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175700718 1121419000 /nfs/dbraw/zinc/41/90/00/1121419000.db2.gz UCJHFZPDKZQXDL-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN CCOC(=O)c1ccc(Nc2ccc3n[nH]c(C)c3c2)cc1 ZINC001175700813 1121419170 /nfs/dbraw/zinc/41/91/70/1121419170.db2.gz YVPBOVPRDJBNLM-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(C)ccc3CCCO)cc12 ZINC001175701369 1121419193 /nfs/dbraw/zinc/41/91/93/1121419193.db2.gz AIXNMWLGPXVVGP-UHFFFAOYSA-N 0 1 295.386 3.848 20 0 CHADMN COC(=O)c1ccc(Nc2ccc3n[nH]c(C)c3c2)cc1F ZINC001175700774 1121419420 /nfs/dbraw/zinc/41/94/20/1121419420.db2.gz XEVVOTXSJKBBGE-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4c3ncn4C)cc12 ZINC001175702284 1121419439 /nfs/dbraw/zinc/41/94/39/1121419439.db2.gz LYKOTVJYLLDLTJ-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4c3cnn4C)cc12 ZINC001175700731 1121419730 /nfs/dbraw/zinc/41/97/30/1121419730.db2.gz USFNQPAWXGCGKG-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1[nH]nc2ccc(Nc3c(C)cccc3N)cc12 ZINC001175700801 1121419881 /nfs/dbraw/zinc/41/98/81/1121419881.db2.gz YJDKDPLQZKSLHU-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4c(c3)[C@@H](O)CCC4)cc12 ZINC001175702715 1121421110 /nfs/dbraw/zinc/42/11/10/1121421110.db2.gz UYLPGQUMJOWYDX-SFHVURJKSA-N 0 1 293.370 3.985 20 0 CHADMN CCc1nc(CSCc2cccc3ccccc32)n[nH]1 ZINC000614081844 1121421395 /nfs/dbraw/zinc/42/13/95/1121421395.db2.gz IQUUFZIZPFLBQC-UHFFFAOYSA-N 0 1 283.400 3.954 20 0 CHADMN Cc1nc(Nc2ccc3c(c2)n[nH]c3C)sc1C ZINC001175656394 1121422377 /nfs/dbraw/zinc/42/23/77/1121422377.db2.gz AFLKZECQBGSXCN-UHFFFAOYSA-N 0 1 258.350 3.688 20 0 CHADMN Cc1[nH]nc2cc(Nc3cnc(Cl)cc3C)ccc12 ZINC001175659427 1121423049 /nfs/dbraw/zinc/42/30/49/1121423049.db2.gz KZIKQGGZVJHSPO-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1[nH]nc2cc(Nc3ncc(F)cc3Cl)ccc12 ZINC001175657331 1121423681 /nfs/dbraw/zinc/42/36/81/1121423681.db2.gz SGTWZCFFHLBZRG-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN COc1ccc(OC)c(Nc2ccc3c(c2)n[nH]c3C)c1 ZINC001175661144 1121424167 /nfs/dbraw/zinc/42/41/67/1121424167.db2.gz AKGQBQXDYNCBDS-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN Cc1[nH]nc2cc(N(c3ccc(N)cn3)C3CCC3)ccc12 ZINC001175659876 1121424335 /nfs/dbraw/zinc/42/43/35/1121424335.db2.gz JTZAQFZIKWKBGC-UHFFFAOYSA-N 0 1 293.374 3.539 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(OCC4CC4)nc3)ccc21 ZINC001175660584 1121424853 /nfs/dbraw/zinc/42/48/53/1121424853.db2.gz SAFQMBDSKVPBRT-UHFFFAOYSA-N 0 1 294.358 3.799 20 0 CHADMN Cc1cc(Nc2ccc3c(C)[nH]nc3c2)n(CC2CC2)n1 ZINC001175659952 1121424876 /nfs/dbraw/zinc/42/48/76/1121424876.db2.gz KMRRTZGJBXRWAT-UHFFFAOYSA-N 0 1 281.363 3.530 20 0 CHADMN Cc1[nH]nc2cc(Nc3nc4c(s3)CCC4)ccc21 ZINC001175660222 1121425081 /nfs/dbraw/zinc/42/50/81/1121425081.db2.gz VCJVJESWZGTKOD-UHFFFAOYSA-N 0 1 270.361 3.560 20 0 CHADMN COc1cc(F)c(Nc2ccc3c(C)[nH]nc3c2)c(F)c1 ZINC001175662536 1121425897 /nfs/dbraw/zinc/42/58/97/1121425897.db2.gz QVVCJFZLIXOUMV-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN C[C@H](CC(=O)Nc1ncc(C(F)(F)F)[nH]1)CC(C)(C)C ZINC000676346060 1121426092 /nfs/dbraw/zinc/42/60/92/1121426092.db2.gz DWPAGZCKCAUKKF-MRVPVSSYSA-N 0 1 291.317 3.829 20 0 CHADMN O=C(Nc1cc(Cl)ccc1O)c1cc(Cl)ccc1O ZINC000040848866 1121426171 /nfs/dbraw/zinc/42/61/71/1121426171.db2.gz QCMHICCBYBKRCY-UHFFFAOYSA-N 0 1 298.125 3.657 20 0 CHADMN COc1cccc(Nc2ccc3c(c2)n[nH]c3C)c1 ZINC001175662019 1121426361 /nfs/dbraw/zinc/42/63/61/1121426361.db2.gz ZACNAQBTNKUWDT-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN CCOC(=O)c1ccc(Nc2ccc3c(C)[nH]nc3c2)cc1 ZINC001175662596 1121426393 /nfs/dbraw/zinc/42/63/93/1121426393.db2.gz UCDIUFBGYXZLPV-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN Fc1ccc(CNCc2ccc(CC(F)(F)F)cc2)nc1 ZINC000631089358 1128984511 /nfs/dbraw/zinc/98/45/11/1128984511.db2.gz KRESVUDMXWVIQU-UHFFFAOYSA-N 0 1 298.283 3.615 20 0 CHADMN CCn1cc2cc(Nc3ccc4c(C)[nH]nc4c3)ccc2n1 ZINC001175662706 1121426581 /nfs/dbraw/zinc/42/65/81/1121426581.db2.gz XVIBJTDLKCLAHU-UHFFFAOYSA-N 0 1 291.358 3.985 20 0 CHADMN COC(=O)c1cc(C)cc(Nc2ccc3c(C)[nH]nc3c2)c1 ZINC001175666473 1121427308 /nfs/dbraw/zinc/42/73/08/1121427308.db2.gz WKAMVYFAALJFPD-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN CC(=O)c1ccc(Nc2ccc3c(C)[nH]nc3c2)c(F)c1 ZINC001175663353 1121427322 /nfs/dbraw/zinc/42/73/22/1121427322.db2.gz XWYDXACDYICZBJ-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccccc3[C@@H](C)O)ccc12 ZINC001175664830 1121427421 /nfs/dbraw/zinc/42/74/21/1121427421.db2.gz GSGXFNCTPHDNKH-LLVKDONJSA-N 0 1 267.332 3.668 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(O)c(F)c(F)c3)ccc12 ZINC001175662840 1121427445 /nfs/dbraw/zinc/42/74/45/1121427445.db2.gz GCVIHUVNPPYVSS-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN CCC[C@@H](NCc1ccc(=O)[nH]c1)c1ccc(F)cc1F ZINC000631091853 1128984641 /nfs/dbraw/zinc/98/46/41/1128984641.db2.gz VCYILMGJNOPFFZ-OAHLLOKOSA-N 0 1 292.329 3.696 20 0 CHADMN COCc1cccc(Nc2ccc3c(c2)n[nH]c3C)c1 ZINC001175663296 1121428135 /nfs/dbraw/zinc/42/81/35/1121428135.db2.gz XENOZURECNJCAW-UHFFFAOYSA-N 0 1 267.332 3.761 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc4snnc4c(C)c3)ccc21 ZINC001175664876 1121428170 /nfs/dbraw/zinc/42/81/70/1121428170.db2.gz HRTOXOGSOLZZEA-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN CCO[C@@H]1CCCN(Cc2cc(C)ccc2OC(F)F)C1 ZINC000676413486 1121431638 /nfs/dbraw/zinc/43/16/38/1121431638.db2.gz ANRKWOJBXCRDGQ-CQSZACIVSA-N 0 1 299.361 3.597 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@@H](CF)C1 ZINC001175716504 1121436638 /nfs/dbraw/zinc/43/66/38/1121436638.db2.gz VMRGZGCABSCQHI-ZJUUUORDSA-N 0 1 259.727 3.832 20 0 CHADMN COc1cc(OC)c(N=C2CCCCC2)c(OC)c1 ZINC001175752774 1121440378 /nfs/dbraw/zinc/44/03/78/1121440378.db2.gz KCZFFBNTWVYAKD-UHFFFAOYSA-N 0 1 263.337 3.582 20 0 CHADMN COc1cncc(CNCc2cc3cc(C)ccc3o2)c1C ZINC000631173548 1128989527 /nfs/dbraw/zinc/98/95/27/1128989527.db2.gz CRVHXOSPBJZPGI-UHFFFAOYSA-N 0 1 296.370 3.743 20 0 CHADMN CCN(Cc1cccs1)Cc1cnc2onc(C)c2c1 ZINC000893909152 1121441430 /nfs/dbraw/zinc/44/14/30/1121441430.db2.gz JSTITQSBXRNVFF-UHFFFAOYSA-N 0 1 287.388 3.615 20 0 CHADMN CCn1cc(CN[C@@H](C)c2cc3ccccc3o2)c(C)n1 ZINC000893932248 1121443045 /nfs/dbraw/zinc/44/30/45/1121443045.db2.gz AHXGKBCQTRJJLI-ZDUSSCGKSA-N 0 1 283.375 3.808 20 0 CHADMN Fc1cccc(CN[C@@H]2CCO[C@H]2c2ccccc2)c1F ZINC000631185973 1128990419 /nfs/dbraw/zinc/99/04/19/1128990419.db2.gz UNNBGUYYBNDDRO-WBVHZDCISA-N 0 1 289.325 3.585 20 0 CHADMN CC[C@H]1c2ccsc2CCN1Cc1ocnc1C ZINC000893961532 1121444328 /nfs/dbraw/zinc/44/43/28/1121444328.db2.gz BEKQNTLVEJJIRE-LBPRGKRZSA-N 0 1 262.378 3.554 20 0 CHADMN CCC(CC)n1ccc(CN2CC[C@@H](c3ccco3)C2)n1 ZINC000676561205 1121445983 /nfs/dbraw/zinc/44/59/83/1121445983.db2.gz QOYOHFKKACEPBV-CQSZACIVSA-N 0 1 287.407 3.827 20 0 CHADMN CCN(Cc1[nH]nc(C)c1C)[C@H](C)c1ccc(F)cc1 ZINC000893967301 1121448065 /nfs/dbraw/zinc/44/80/65/1121448065.db2.gz ZYVOYCKWLMUNOE-CYBMUJFWSA-N 0 1 275.371 3.749 20 0 CHADMN C[C@H]1CN(Cc2cc3ccnc(Cl)c3s2)CCCO1 ZINC000893995222 1121451223 /nfs/dbraw/zinc/45/12/23/1121451223.db2.gz HZAQSFKZRLPSFL-JTQLQIEISA-N 0 1 296.823 3.561 20 0 CHADMN COCCN(Cc1nc(C(C)(C)C)co1)[C@@H]1CC[C@@H](C)C1 ZINC000894001060 1121453706 /nfs/dbraw/zinc/45/37/06/1121453706.db2.gz NIANXLGAEYMALH-ZIAGYGMSSA-N 0 1 294.439 3.609 20 0 CHADMN CCOc1cc(CNCC(C)(C)F)cc(Cl)c1OC ZINC000631191665 1128990451 /nfs/dbraw/zinc/99/04/51/1128990451.db2.gz SDHUPQNACWMSKP-UHFFFAOYSA-N 0 1 289.778 3.585 20 0 CHADMN O=C(Nc1ccc2ncccc2c1)c1cc(Cl)ccc1O ZINC000048189767 1121456236 /nfs/dbraw/zinc/45/62/36/1121456236.db2.gz IIWMSSVXEUQTHD-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN Cc1coc(CN2CCC[C@H]2c2cccc(C)n2)c1 ZINC000894031135 1121457766 /nfs/dbraw/zinc/45/77/66/1121457766.db2.gz PNAGXLCZWZYLMP-INIZCTEOSA-N 0 1 256.349 3.629 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cn(C)nc2C2CC2)c1 ZINC000894030357 1121459002 /nfs/dbraw/zinc/45/90/02/1121459002.db2.gz RVSVZEHLKAOQQE-UHFFFAOYSA-N 0 1 283.419 3.546 20 0 CHADMN FC(F)(F)C1=CCN(Cc2cccc3c2NCCC3)CC1 ZINC000894049261 1121460614 /nfs/dbraw/zinc/46/06/14/1121460614.db2.gz DJQDKSQHGHDFRU-UHFFFAOYSA-N 0 1 296.336 3.739 20 0 CHADMN COc1c(F)cc(F)cc1CN(C)CCc1ccccc1 ZINC001143549840 1121465010 /nfs/dbraw/zinc/46/50/10/1121465010.db2.gz BZVXXFSDYMOLLD-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN C[C@H]1CN(Cc2ccc3oc(=O)oc3c2)[C@@H]1c1ccccc1 ZINC000894085991 1121465659 /nfs/dbraw/zinc/46/56/59/1121465659.db2.gz XQPIOMXWWDDYGR-SJCJKPOMSA-N 0 1 295.338 3.579 20 0 CHADMN Cc1ccccc1C[C@H](C)N(C)Cc1nccn1C1CC1 ZINC000894072462 1121466259 /nfs/dbraw/zinc/46/62/59/1121466259.db2.gz VUFFMFWBTJVAOT-HNNXBMFYSA-N 0 1 283.419 3.589 20 0 CHADMN CCc1nn(C)c(CC)c1CN(C)Cc1cc(C)ccc1C ZINC000432894532 1121471067 /nfs/dbraw/zinc/47/10/67/1121471067.db2.gz WRKVDJJLSSEGSX-UHFFFAOYSA-N 0 1 299.462 3.794 20 0 CHADMN CC[C@@H](N[C@H](C)c1cn(C)cn1)c1ccc(C)cc1 ZINC000709948845 1121471544 /nfs/dbraw/zinc/47/15/44/1121471544.db2.gz INURBEQBMDQPTQ-UKRRQHHQSA-N 0 1 257.381 3.530 20 0 CHADMN CCC(CC)N(C(=O)c1ccc(Cl)c(O)c1)C1CC1 ZINC001143293545 1121479516 /nfs/dbraw/zinc/47/95/16/1121479516.db2.gz IQSBAKSOHNRTBY-UHFFFAOYSA-N 0 1 281.783 3.839 20 0 CHADMN c1ccc2c(c1)[nH]c1ccc(Nc3ccncc3)cc12 ZINC001175853095 1121482237 /nfs/dbraw/zinc/48/22/37/1121482237.db2.gz FIUHHAFFQPSEGO-UHFFFAOYSA-N 0 1 259.312 3.882 20 0 CHADMN Cn1ccc2c1cccc2Nc1nnc(-c2ccco2)o1 ZINC001175862388 1121483552 /nfs/dbraw/zinc/48/35/52/1121483552.db2.gz HLPIECUAQIWHBM-UHFFFAOYSA-N 0 1 280.287 3.565 20 0 CHADMN COc1cccc(CNCc2cccc3cccnc32)c1F ZINC000185768634 1121483838 /nfs/dbraw/zinc/48/38/38/1121483838.db2.gz GMERWOYDDJIWSI-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN Cc1nnsc1CNC/C=C/c1cc(C)c(C)cc1C ZINC000631141530 1128987323 /nfs/dbraw/zinc/98/73/23/1128987323.db2.gz DWFSHEDBLQGSDY-AATRIKPKSA-N 0 1 287.432 3.575 20 0 CHADMN CC(C)(C)c1nnc(CN2CCC[C@H]2C2CCCCC2)[nH]1 ZINC000432934121 1121485897 /nfs/dbraw/zinc/48/58/97/1121485897.db2.gz YHOWNKGCYLAPHM-AWEZNQCLSA-N 0 1 290.455 3.647 20 0 CHADMN C[C@H]1CCCN(Cc2cc(F)c(F)c(F)c2)[C@H]1C ZINC000512586787 1121485912 /nfs/dbraw/zinc/48/59/12/1121485912.db2.gz LKZYSSYVXSFLNJ-UWVGGRQHSA-N 0 1 257.299 3.724 20 0 CHADMN CC(C)(C)c1nc(CN2CCC[C@H]2c2cccs2)n[nH]1 ZINC000432937630 1121488758 /nfs/dbraw/zinc/48/87/58/1121488758.db2.gz LHOLPZNPYBQABH-NSHDSACASA-N 0 1 290.436 3.501 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@@H]1COc2ccc(F)cc21 ZINC000467000903 1121489509 /nfs/dbraw/zinc/48/95/09/1121489509.db2.gz BIRORPNFYDQIBW-BLLLJJGKSA-N 0 1 271.335 3.918 20 0 CHADMN CN(Cc1sc2ccccc2c1Cl)C1(CO)CCC1 ZINC000429267507 1121492807 /nfs/dbraw/zinc/49/28/07/1121492807.db2.gz XWFZEXJOXNZTEQ-UHFFFAOYSA-N 0 1 295.835 3.902 20 0 CHADMN CCCc1cccc(CNCc2cc(C3CC3)nn2C)c1 ZINC000922946909 1121496363 /nfs/dbraw/zinc/49/63/63/1121496363.db2.gz CPSYUXVXZHZBGY-UHFFFAOYSA-N 0 1 283.419 3.540 20 0 CHADMN Cn1ccc([C@@H](NCC(C)(C)C)c2ccc(Cl)cc2)n1 ZINC000543596422 1121499223 /nfs/dbraw/zinc/49/92/23/1121499223.db2.gz UYRIVYFZSNUWGX-HNNXBMFYSA-N 0 1 291.826 3.799 20 0 CHADMN Cc1cc(Nc2cnc3cccc(C)n23)cc(C)c1N ZINC001175932040 1121500941 /nfs/dbraw/zinc/50/09/41/1121500941.db2.gz ITCJWNQHDOHXFS-UHFFFAOYSA-N 0 1 266.348 3.585 20 0 CHADMN CCCC[C@@H](C(=O)OC)N1CCC[C@H]1c1cccs1 ZINC000432981031 1121502098 /nfs/dbraw/zinc/50/20/98/1121502098.db2.gz ZMDBNMVSBWQSJY-STQMWFEESA-N 0 1 281.421 3.617 20 0 CHADMN CCc1onc(C)c1CNCc1cc(Cl)cs1 ZINC000922983335 1121502936 /nfs/dbraw/zinc/50/29/36/1121502936.db2.gz KFZPYMWNFSJDTI-UHFFFAOYSA-N 0 1 270.785 3.550 20 0 CHADMN CSC[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000429280808 1121504634 /nfs/dbraw/zinc/50/46/34/1121504634.db2.gz RWERRMLWMHSORQ-LBPRGKRZSA-N 0 1 271.376 3.540 20 0 CHADMN CCc1onc(C)c1CNCc1ccc2ccccc2c1 ZINC000922986930 1121505160 /nfs/dbraw/zinc/50/51/60/1121505160.db2.gz HFAHQHYYUWNOPQ-UHFFFAOYSA-N 0 1 280.371 3.988 20 0 CHADMN CCc1onc(C)c1CNCc1c(C)cc(C)cc1C ZINC000922988747 1121506750 /nfs/dbraw/zinc/50/67/50/1121506750.db2.gz VOBCCWSCUKFELV-UHFFFAOYSA-N 0 1 272.392 3.760 20 0 CHADMN CSC[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000429286597 1121508860 /nfs/dbraw/zinc/50/88/60/1121508860.db2.gz SGGHLXCHITUVML-LLVKDONJSA-N 0 1 271.376 3.540 20 0 CHADMN CCCc1c(C)[n-]n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000614184625 1121510491 /nfs/dbraw/zinc/51/04/91/1121510491.db2.gz BHNUBWJZLCXEJD-LBPRGKRZSA-N 0 1 284.281 3.844 20 0 CHADMN CCCc1c(C)[nH]n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000614184625 1121510495 /nfs/dbraw/zinc/51/04/95/1121510495.db2.gz BHNUBWJZLCXEJD-LBPRGKRZSA-N 0 1 284.281 3.844 20 0 CHADMN Cc1cc(CN2C[C@H](c3ccc(F)cc3)C[C@H]2C)no1 ZINC000246794857 1121513554 /nfs/dbraw/zinc/51/35/54/1121513554.db2.gz QGBCUAIAGVMTCZ-BXUZGUMPSA-N 0 1 274.339 3.500 20 0 CHADMN CCCc1c(C)[nH]n(-c2ccccc2C(F)(F)F)c1=O ZINC000614185918 1121514711 /nfs/dbraw/zinc/51/47/11/1121514711.db2.gz ZRRXRCRQGSKZGM-SNVBAGLBSA-N 0 1 284.281 3.844 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H]2CCC(C)(C)CO2)c(C)s1 ZINC000711295163 1121516177 /nfs/dbraw/zinc/51/61/77/1121516177.db2.gz OLKHEAASXXDNMO-ZWNOBZJWSA-N 0 1 282.453 3.616 20 0 CHADMN CCc1ccccc1N1N=C2CCCCC[C@H]2C1=O ZINC000614186909 1121516232 /nfs/dbraw/zinc/51/62/32/1121516232.db2.gz OGEKCXZCVPTAKU-CYBMUJFWSA-N 0 1 256.349 3.532 20 0 CHADMN CCc1ccccc1-n1[nH]c2c(c1=O)CCCCC2 ZINC000614186909 1121516237 /nfs/dbraw/zinc/51/62/37/1121516237.db2.gz OGEKCXZCVPTAKU-CYBMUJFWSA-N 0 1 256.349 3.532 20 0 CHADMN Clc1cscc1CNC1([C@H]2CCCCO2)CC1 ZINC000923028862 1121517009 /nfs/dbraw/zinc/51/70/09/1121517009.db2.gz CCXYGRADGHYGBL-GFCCVEGCSA-N 0 1 271.813 3.593 20 0 CHADMN CC(C)(F)CNCc1ccc(-c2ccncc2)cc1F ZINC000631189297 1128990706 /nfs/dbraw/zinc/99/07/06/1128990706.db2.gz MJPYZEIFIMFTRH-UHFFFAOYSA-N 0 1 276.330 3.725 20 0 CHADMN O=C(OCc1cccc(F)c1F)c1ccc(O)c(Cl)c1 ZINC000759997396 1121517917 /nfs/dbraw/zinc/51/79/17/1121517917.db2.gz DVXOHFWOQIOJKY-UHFFFAOYSA-N 0 1 298.672 3.681 20 0 CHADMN CCOC1CC(CN(C)[C@@H](C)c2c(F)cccc2F)C1 ZINC000509294227 1121518237 /nfs/dbraw/zinc/51/82/37/1121518237.db2.gz NFGMKXKRVZYRGM-HIFPTAJRSA-N 0 1 283.362 3.773 20 0 CHADMN c1ccc(-c2cccc(Nc3ccc4nn[nH]c4c3)c2)nc1 ZINC001176002385 1121518511 /nfs/dbraw/zinc/51/85/11/1121518511.db2.gz MEOHXMFXGDJAMN-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1ccc(-c2cccc(Nc3ccc4n[nH]nc4c3)c2)nc1 ZINC001176002385 1121518519 /nfs/dbraw/zinc/51/85/19/1121518519.db2.gz MEOHXMFXGDJAMN-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN OCC[C@H](NCc1cccs1)c1ccc(Cl)c(F)c1 ZINC000631189820 1128990753 /nfs/dbraw/zinc/99/07/53/1128990753.db2.gz CSFVFVPLRRDZPH-AWEZNQCLSA-N 0 1 299.798 3.754 20 0 CHADMN Fc1ccc2cc(Nc3ccc4nn[nH]c4c3)cnc2c1F ZINC001176002002 1121518603 /nfs/dbraw/zinc/51/86/03/1121518603.db2.gz NETQBUYTJNAAAB-UHFFFAOYSA-N 0 1 297.268 3.528 20 0 CHADMN Fc1ccc2cc(Nc3ccc4n[nH]nc4c3)cnc2c1F ZINC001176002002 1121518607 /nfs/dbraw/zinc/51/86/07/1121518607.db2.gz NETQBUYTJNAAAB-UHFFFAOYSA-N 0 1 297.268 3.528 20 0 CHADMN Clc1ccnc2ccc(Nc3ccc4nn[nH]c4c3)cc12 ZINC001176001725 1121518618 /nfs/dbraw/zinc/51/86/18/1121518618.db2.gz ABVXYZPIUZGDFH-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1ccnc2ccc(Nc3ccc4n[nH]nc4c3)cc12 ZINC001176001725 1121518621 /nfs/dbraw/zinc/51/86/21/1121518621.db2.gz ABVXYZPIUZGDFH-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN CSC[C@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000429306783 1121519447 /nfs/dbraw/zinc/51/94/47/1121519447.db2.gz NZTXOCVRBQHFHN-NSHDSACASA-N 0 1 271.376 3.540 20 0 CHADMN COc1ccnc([C@@H](C)N[C@@H]2CCc3c2cccc3C)c1 ZINC000925370864 1121521872 /nfs/dbraw/zinc/52/18/72/1121521872.db2.gz MTHQDVZQGYHHDA-CXAGYDPISA-N 0 1 282.387 3.737 20 0 CHADMN Cc1nc2ccc(Nc3ccc4nn[nH]c4c3)cc2s1 ZINC001176005809 1121522716 /nfs/dbraw/zinc/52/27/16/1121522716.db2.gz KCRHPPMFBCMORT-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1nc2ccc(Nc3ccc4n[nH]nc4c3)cc2s1 ZINC001176005809 1121522719 /nfs/dbraw/zinc/52/27/19/1121522719.db2.gz KCRHPPMFBCMORT-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN COc1cccc2c(Nc3ccc4nn[nH]c4c3)cccc12 ZINC001176004233 1121522731 /nfs/dbraw/zinc/52/27/31/1121522731.db2.gz GXCMVUHUALLDKB-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN COc1cccc2c(Nc3ccc4n[nH]nc4c3)cccc12 ZINC001176004233 1121522739 /nfs/dbraw/zinc/52/27/39/1121522739.db2.gz GXCMVUHUALLDKB-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN CC(C)(C)OC[C@H]1CCCN1Cc1cc(F)ccc1F ZINC001176008431 1121524190 /nfs/dbraw/zinc/52/41/90/1121524190.db2.gz GQJUOSHPSLKEAH-CQSZACIVSA-N 0 1 283.362 3.744 20 0 CHADMN CC[C@@](C)(NCc1cnc(C2CC2)nc1)c1ccc(F)cc1 ZINC000631194752 1128991167 /nfs/dbraw/zinc/99/11/67/1128991167.db2.gz PGTDIYRUGOWWHN-GOSISDBHSA-N 0 1 299.393 3.908 20 0 CHADMN CC[C@@](C)(NCc1cnccc1OC)c1ccc(F)cc1 ZINC000631195382 1128991408 /nfs/dbraw/zinc/99/14/08/1128991408.db2.gz WIJTZKCJKQDIPN-QGZVFWFLSA-N 0 1 288.366 3.644 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1cc(C(=O)[O-])cs1)C(C)(C)C ZINC000711418270 1121531196 /nfs/dbraw/zinc/53/11/96/1121531196.db2.gz VLBHZYQEOSOFDO-JTQLQIEISA-N 0 1 269.410 3.560 20 0 CHADMN Fc1cc(Br)c(Cl)cc1Nc1ncc[nH]1 ZINC001176085855 1121534819 /nfs/dbraw/zinc/53/48/19/1121534819.db2.gz RZMKGLXKRAHZAV-UHFFFAOYSA-N 0 1 290.523 3.708 20 0 CHADMN Cc1scc(CNCc2ccc(-c3cc[nH]n3)o2)c1C ZINC000631205588 1128991924 /nfs/dbraw/zinc/99/19/24/1128991924.db2.gz CSEGFEZLESQWOX-UHFFFAOYSA-N 0 1 287.388 3.638 20 0 CHADMN CC(C)(C)OC(=O)Nc1cccc(F)c1Nc1ncc[nH]1 ZINC001176085970 1121535384 /nfs/dbraw/zinc/53/53/84/1121535384.db2.gz VPDCNZHIABNNLS-UHFFFAOYSA-N 0 1 292.314 3.639 20 0 CHADMN C[C@@H]1C[C@@H](NCc2csc(-c3ccsc3)n2)[C@@H](C)O1 ZINC000631220391 1128992089 /nfs/dbraw/zinc/99/20/89/1128992089.db2.gz SFXVXBBOXMINCR-GIPNMCIBSA-N 0 1 294.445 3.527 20 0 CHADMN CCc1ncc(CN2CCc3cccc(C)c3C2)s1 ZINC000433054830 1121541450 /nfs/dbraw/zinc/54/14/50/1121541450.db2.gz CKCHUYZEDARNKF-UHFFFAOYSA-N 0 1 272.417 3.572 20 0 CHADMN Cc1ccoc1CN(C)Cc1cccc2cccnc21 ZINC000429363839 1121544043 /nfs/dbraw/zinc/54/40/43/1121544043.db2.gz KTOJYEQDAYCUAY-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN c1cc2c(cccc2C[N@H+]2CCO[C@H](C3CCCCC3)C2)[nH]1 ZINC000543638178 1121544116 /nfs/dbraw/zinc/54/41/16/1121544116.db2.gz SPWJEPPHWRJFDA-IBGZPJMESA-N 0 1 298.430 3.949 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CC1CCC2(CC2)CC1 ZINC000923249268 1121547033 /nfs/dbraw/zinc/54/70/33/1121547033.db2.gz KPCZTHXJLUHCNK-OAHLLOKOSA-N 0 1 279.424 3.676 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1CC1CCC2(CC2)CC1 ZINC000923256002 1121548670 /nfs/dbraw/zinc/54/86/70/1121548670.db2.gz BXYCDSYSNXFPRL-IPYPFGDCSA-N 0 1 279.424 3.530 20 0 CHADMN C[C@@H](c1nc(-c2ccc3[nH]cnc3c2)no1)C(C)(C)C ZINC000545744954 1121558942 /nfs/dbraw/zinc/55/89/42/1121558942.db2.gz KKTZWVWVSHOONX-VIFPVBQESA-N 0 1 270.336 3.763 20 0 CHADMN C[C@@H]1CCCC[C@@H]1COc1ccccc1-c1nnc[nH]1 ZINC000663988395 1121563131 /nfs/dbraw/zinc/56/31/31/1121563131.db2.gz GGAFZQPWZOQPGJ-CHWSQXEVSA-N 0 1 271.364 3.677 20 0 CHADMN Fc1ccc(CC2CCN(Cc3cncs3)CC2)cc1 ZINC000512758969 1121573482 /nfs/dbraw/zinc/57/34/82/1121573482.db2.gz PCQJQAHJOCWOMW-UHFFFAOYSA-N 0 1 290.407 3.737 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2ncoc2C(C)C)C1 ZINC000092798279 1121574790 /nfs/dbraw/zinc/57/47/90/1121574790.db2.gz ATWQSKZFEZLFSS-HNNXBMFYSA-N 0 1 250.386 3.810 20 0 CHADMN C[C@H](NCc1cccc2c1CCOC2)c1ccccc1F ZINC000631243331 1128994675 /nfs/dbraw/zinc/99/46/75/1128994675.db2.gz CDWCINSAXUCVPE-ZDUSSCGKSA-N 0 1 285.362 3.749 20 0 CHADMN C[C@H](NCCOCC1CCC1)c1nc(C(C)(C)C)cs1 ZINC000419245129 1121582730 /nfs/dbraw/zinc/58/27/30/1121582730.db2.gz NTPZHOZYDYMSCP-LBPRGKRZSA-N 0 1 296.480 3.908 20 0 CHADMN Cc1cc(Nc2cncc(C3CC3)c2)n(-c2ccncc2)n1 ZINC001176283870 1121587315 /nfs/dbraw/zinc/58/73/15/1121587315.db2.gz YJEBABXQFNJVHG-UHFFFAOYSA-N 0 1 291.358 3.592 20 0 CHADMN CC[C@H](N[C@@H](CO)CC(F)F)c1cccc(Cl)c1F ZINC000429455309 1121589107 /nfs/dbraw/zinc/58/91/07/1121589107.db2.gz VDDHHMWDFKEICE-KCJUWKMLSA-N 0 1 295.732 3.536 20 0 CHADMN CCN(C(=O)c1cccc2[nH]ncc21)c1cccc(C)c1 ZINC000512773186 1121589162 /nfs/dbraw/zinc/58/91/62/1121589162.db2.gz JQFTYILBPXHWGD-UHFFFAOYSA-N 0 1 279.343 3.538 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc3[nH]c(=O)oc3c2)o1 ZINC000671739523 1121590065 /nfs/dbraw/zinc/59/00/65/1121590065.db2.gz UJBYBIFVYHFJAT-GHMZBOCLSA-N 0 1 286.331 3.847 20 0 CHADMN C[C@H](N[C@H](CO)CC(F)F)c1cc(Cl)ccc1Cl ZINC000429466699 1121592748 /nfs/dbraw/zinc/59/27/48/1121592748.db2.gz NAWZSRFQSYFGAM-CBAPKCEASA-N 0 1 298.160 3.660 20 0 CHADMN COc1cc(Cl)cc(-n2c(N)nc3ccc(C)cc32)c1 ZINC001176343599 1121602267 /nfs/dbraw/zinc/60/22/67/1121602267.db2.gz FZTLFACUXHPKJV-UHFFFAOYSA-N 0 1 287.750 3.578 20 0 CHADMN COc1c(Cl)cc(Nc2c(C)ncn2C)cc1Cl ZINC001176310514 1121606409 /nfs/dbraw/zinc/60/64/09/1121606409.db2.gz ROCZBNTWAKFMGF-UHFFFAOYSA-N 0 1 286.162 3.788 20 0 CHADMN Cc1ccc(-c2nc(CN(C)[C@@H](C)C3CC3)cs2)o1 ZINC000075682395 1121607002 /nfs/dbraw/zinc/60/70/02/1121607002.db2.gz DYNXCDQYZQLAGN-NSHDSACASA-N 0 1 276.405 3.942 20 0 CHADMN COc1ccncc1CN1CCC(Cc2ccccc2)CC1 ZINC000320371097 1121613363 /nfs/dbraw/zinc/61/33/63/1121613363.db2.gz QRIODGXYXCSAQR-UHFFFAOYSA-N 0 1 296.414 3.545 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2NCc1scnc1C1CC1 ZINC000486961554 1121616599 /nfs/dbraw/zinc/61/65/99/1121616599.db2.gz CLMCWJLLVICTBI-CQSZACIVSA-N 0 1 288.391 3.937 20 0 CHADMN Cc1ccc(CNCc2scnc2C2CC2)cc1F ZINC000486982722 1121617282 /nfs/dbraw/zinc/61/72/82/1121617282.db2.gz QFUBRZAMZSCPSY-UHFFFAOYSA-N 0 1 276.380 3.758 20 0 CHADMN Cc1cc([C@@H]2CCC[N@H+]2C/C=C/c2ccc(F)cc2)on1 ZINC000509809780 1121617901 /nfs/dbraw/zinc/61/79/01/1121617901.db2.gz FRVPZUDGYZCUQY-ICTCPBKTSA-N 0 1 286.350 3.972 20 0 CHADMN Cc1cc([C@@H]2CCCN2C/C=C/c2ccc(F)cc2)on1 ZINC000509809780 1121617905 /nfs/dbraw/zinc/61/79/05/1121617905.db2.gz FRVPZUDGYZCUQY-ICTCPBKTSA-N 0 1 286.350 3.972 20 0 CHADMN CCOCc1ccccc1CN[C@@H](C)c1ccoc1 ZINC000094868892 1128997757 /nfs/dbraw/zinc/99/77/57/1128997757.db2.gz FNBJTNYYXDOMBN-ZDUSSCGKSA-N 0 1 259.349 3.667 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)[C@H]3CC=CCC3)c2C1 ZINC000158284503 1121629612 /nfs/dbraw/zinc/62/96/12/1121629612.db2.gz QFFBOJPYZVIKHF-HNNXBMFYSA-N 0 1 298.430 3.953 20 0 CHADMN CCN(Cc1nc(C)sc1C)C1CC(C)(C)C1 ZINC000412033056 1121637056 /nfs/dbraw/zinc/63/70/56/1121637056.db2.gz HXKFFJPITJIVEY-UHFFFAOYSA-N 0 1 252.427 3.770 20 0 CHADMN c1cn2cc(Nc3cccc(OCC4CC4)c3)ccc2n1 ZINC001176491962 1121638554 /nfs/dbraw/zinc/63/85/54/1121638554.db2.gz MCBYSRZZGMHBHL-UHFFFAOYSA-N 0 1 279.343 3.867 20 0 CHADMN Cc1oncc1CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433297046 1121641989 /nfs/dbraw/zinc/64/19/89/1121641989.db2.gz KKFQAPOVOAZWEA-CYBMUJFWSA-N 0 1 276.767 3.626 20 0 CHADMN COc1ccc(C)cc1CN1CCC[C@@H]1c1cc(C)no1 ZINC000052009801 1121647289 /nfs/dbraw/zinc/64/72/89/1121647289.db2.gz NXLZMHJDHJJSFQ-OAHLLOKOSA-N 0 1 286.375 3.637 20 0 CHADMN CCS[C@H](C)c1noc(CNC(C(C)C)C(C)C)n1 ZINC000611434107 1121647315 /nfs/dbraw/zinc/64/73/15/1121647315.db2.gz NQEHEWWLGMLETJ-LLVKDONJSA-N 0 1 285.457 3.654 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1nc2c(s1)CCCC2 ZINC000611464473 1121648555 /nfs/dbraw/zinc/64/85/55/1121648555.db2.gz DXDQXPOQXKPAFD-LBPRGKRZSA-N 0 1 298.521 3.985 20 0 CHADMN Cc1c[nH+]c(Nc2ccc(/C=C/C(=O)[O-])cc2)c(C)c1 ZINC001176589385 1121648877 /nfs/dbraw/zinc/64/88/77/1121648877.db2.gz KWBJNVBUCKQCRR-VMPITWQZSA-N 0 1 268.316 3.540 20 0 CHADMN CC[C@@H](NCc1noc(-c2ccsc2)n1)[C@H]1CC1(C)C ZINC000419322351 1121654253 /nfs/dbraw/zinc/65/42/53/1121654253.db2.gz SFUBBVVANFCOPY-VXGBXAGGSA-N 0 1 291.420 3.712 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1nccc2c1CCCC2 ZINC000894141894 1121655137 /nfs/dbraw/zinc/65/51/37/1121655137.db2.gz JSNMXIDRWQIKPX-BXUZGUMPSA-N 0 1 298.352 3.733 20 0 CHADMN Cc1ncoc1CN[C@H](CC(C)C)c1ccccc1 ZINC000894142887 1121659257 /nfs/dbraw/zinc/65/92/57/1121659257.db2.gz OXVOUGZCNUFUEZ-OAHLLOKOSA-N 0 1 258.365 3.860 20 0 CHADMN Cc1cc(CCNCc2c(Cl)cccc2Cl)on1 ZINC000513002269 1121662320 /nfs/dbraw/zinc/66/23/20/1121662320.db2.gz WNYYBFYWGUFDRM-UHFFFAOYSA-N 0 1 285.174 3.622 20 0 CHADMN CC1(C)SC[C@H]1N[C@@H](c1ccccc1)c1ccccn1 ZINC000283423856 1121664976 /nfs/dbraw/zinc/66/49/76/1121664976.db2.gz RURBDRFLZIQNCI-CVEARBPZSA-N 0 1 284.428 3.655 20 0 CHADMN Cc1cc(F)ccc1-c1ccc(C[N@H+]2CCCOCC2)o1 ZINC000510487904 1121669017 /nfs/dbraw/zinc/66/90/17/1121669017.db2.gz CVSXFFQMRRASGM-UHFFFAOYSA-N 0 1 289.350 3.616 20 0 CHADMN Cc1cc(F)ccc1-c1ccc(CN2CCCOCC2)o1 ZINC000510487904 1121669020 /nfs/dbraw/zinc/66/90/20/1121669020.db2.gz CVSXFFQMRRASGM-UHFFFAOYSA-N 0 1 289.350 3.616 20 0 CHADMN CC(C)Oc1cc(C(F)(F)F)ccc1Nc1cncn1C ZINC001176597984 1121669035 /nfs/dbraw/zinc/66/90/35/1121669035.db2.gz QSEJSVDVLGIXAY-UHFFFAOYSA-N 0 1 299.296 3.970 20 0 CHADMN COc1ccc(-c2ccccc2)cc1CN1CCCOCC1 ZINC000510556471 1121670309 /nfs/dbraw/zinc/67/03/09/1121670309.db2.gz ZYDPPWSLSXFHDQ-UHFFFAOYSA-N 0 1 297.398 3.585 20 0 CHADMN CC(=O)c1cc(F)ccc1Nc1c(F)cc(F)c(O)c1F ZINC001176671924 1121673254 /nfs/dbraw/zinc/67/32/54/1121673254.db2.gz ADAYNFRVSIJDKV-UHFFFAOYSA-N 0 1 299.223 3.895 20 0 CHADMN CN(Cc1csc(-c2cccs2)n1)CC1CC1 ZINC000052106444 1121674193 /nfs/dbraw/zinc/67/41/93/1121674193.db2.gz DDHLWHPRKXJGCB-UHFFFAOYSA-N 0 1 264.419 3.713 20 0 CHADMN CC(C)[C@H]1CC[C@H]1N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000513662544 1121678164 /nfs/dbraw/zinc/67/81/64/1121678164.db2.gz XBGXMZTUQSNKNK-NWANDNLSSA-N 0 1 285.391 3.822 20 0 CHADMN CC(=O)c1sccc1Nc1c(F)cc(F)c(O)c1F ZINC001176662905 1121678787 /nfs/dbraw/zinc/67/87/87/1121678787.db2.gz CGWBQOYTZXNFAS-UHFFFAOYSA-N 0 1 287.262 3.817 20 0 CHADMN Clc1cc(OCc2ccon2)ccc1CN1CCCC1 ZINC000664100346 1121679733 /nfs/dbraw/zinc/67/97/33/1121679733.db2.gz IVBZXZUBKNZCRG-UHFFFAOYSA-N 0 1 292.766 3.503 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2cc(-c3cccs3)on2)C1 ZINC000052870070 1121690740 /nfs/dbraw/zinc/69/07/40/1121690740.db2.gz WVGREEGRFRDFRF-VXGBXAGGSA-N 0 1 276.405 3.881 20 0 CHADMN CC[C@H](NC)c1nc(-c2cccc3ccccc32)no1 ZINC000054438473 1121704002 /nfs/dbraw/zinc/70/40/02/1121704002.db2.gz NPXAHVHINROITR-AWEZNQCLSA-N 0 1 267.332 3.560 20 0 CHADMN Cc1ccc(NC(=O)CN2CC=CC23CCCCC3)cc1C ZINC001176996421 1121704671 /nfs/dbraw/zinc/70/46/71/1121704671.db2.gz WKRSBLWDCKBWKH-UHFFFAOYSA-N 0 1 298.430 3.817 20 0 CHADMN Cc1cccc(CNCc2cnc([C@H]3CCCO3)s2)c1 ZINC001177171048 1121714913 /nfs/dbraw/zinc/71/49/13/1121714913.db2.gz SLZHNKJPZDQBBH-OAHLLOKOSA-N 0 1 288.416 3.593 20 0 CHADMN CC[C@@H](CNCc1nc(C)cs1)Oc1cccc(C)c1 ZINC001177315136 1121724942 /nfs/dbraw/zinc/72/49/42/1121724942.db2.gz LGOJZCYLHTVKOO-AWEZNQCLSA-N 0 1 290.432 3.707 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OC[C@H]1CC=CCC1 ZINC000727633392 1121728199 /nfs/dbraw/zinc/72/81/99/1121728199.db2.gz JEPNFXPVUAIUAT-AWEZNQCLSA-N 0 1 296.370 3.898 20 0 CHADMN C[C@H](c1ccccn1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773659687 1121728432 /nfs/dbraw/zinc/72/84/32/1121728432.db2.gz RGSCAWRJKBQFPK-CYBMUJFWSA-N 0 1 299.805 3.980 20 0 CHADMN CC1(C)CCC2(CCN(Cc3cccc(F)c3F)CC2)O1 ZINC001204201806 1121744977 /nfs/dbraw/zinc/74/49/77/1121744977.db2.gz CWRRRJITGONKOE-UHFFFAOYSA-N 0 1 295.373 3.888 20 0 CHADMN C[C@H](NCCSc1ccc(Cl)cc1)c1ncc[nH]1 ZINC000285628261 1121763715 /nfs/dbraw/zinc/76/37/15/1121763715.db2.gz LEZSFDTXQPFGCN-JTQLQIEISA-N 0 1 281.812 3.506 20 0 CHADMN Cc1cnc(CN2C[C@@H](C)C[C@H]2c2ccccc2)o1 ZINC000285580486 1121764411 /nfs/dbraw/zinc/76/44/11/1121764411.db2.gz IDYDTIZRSDRTJW-WFASDCNBSA-N 0 1 256.349 3.566 20 0 CHADMN CC(C)Oc1ccccc1CNCc1ccc2c(c1)COC2 ZINC001178025946 1121765720 /nfs/dbraw/zinc/76/57/20/1121765720.db2.gz ULEZKPSCEPOOHN-UHFFFAOYSA-N 0 1 297.398 3.794 20 0 CHADMN C[C@H](N[C@H]1c2cccc(F)c2CC[C@H]1C)c1ncc[nH]1 ZINC000286265375 1121767748 /nfs/dbraw/zinc/76/77/48/1121767748.db2.gz VDGAXLGSCLWIBV-JRPNMDOOSA-N 0 1 273.355 3.523 20 0 CHADMN CCN1CCCC[C@H]1C(=O)Nc1ccc2ccccc2c1 ZINC000729295612 1121772171 /nfs/dbraw/zinc/77/21/71/1121772171.db2.gz BGTRGQMKMUVBPX-KRWDZBQOSA-N 0 1 282.387 3.653 20 0 CHADMN CC(C)c1cc(CN[C@H]2c3ccccc3C[C@H]2C)on1 ZINC000169236391 1121773896 /nfs/dbraw/zinc/77/38/96/1121773896.db2.gz BOTFOOOQDSHBQL-SJKOYZFVSA-N 0 1 270.376 3.821 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2n[nH]c(C(C)C)n2)cc1C ZINC001178409830 1121786534 /nfs/dbraw/zinc/78/65/34/1121786534.db2.gz WNUWDRNDQAMXGV-AWEZNQCLSA-N 0 1 286.423 3.704 20 0 CHADMN CSc1ncc(Cl)cc1C=C(O)c1ccccc1 ZINC001249886194 1121816010 /nfs/dbraw/zinc/81/60/10/1121816010.db2.gz MEZGQZLRJRPXTG-UHFFFAOYSA-N 0 1 277.776 3.882 20 0 CHADMN CC1(C)CCC[C@H](NCc2ncn(-c3ccccc3)n2)CC1 ZINC001178806965 1121817025 /nfs/dbraw/zinc/81/70/25/1121817025.db2.gz VCCBNZJXYOJAFM-HNNXBMFYSA-N 0 1 298.434 3.716 20 0 CHADMN COc1cccc(C(=O)Cc2cc(F)c(O)c(Cl)c2)c1 ZINC001249902679 1121826194 /nfs/dbraw/zinc/82/61/94/1121826194.db2.gz QUJIUSSZMHBDCT-UHFFFAOYSA-N 0 1 294.709 3.619 20 0 CHADMN Cc1ccc2c(c1C)OC[C@H]2N[C@@H]1CCCc2ncccc21 ZINC000631593470 1129011984 /nfs/dbraw/zinc/01/19/84/1129011984.db2.gz IIJAIFXFBQYSTN-QZTJIDSGSA-N 0 1 294.398 3.799 20 0 CHADMN Fc1ccc(C2(NCc3ccnc(Cl)c3)CC2)cc1 ZINC000730933000 1121836348 /nfs/dbraw/zinc/83/63/48/1121836348.db2.gz RHDPSNZODUGCBP-UHFFFAOYSA-N 0 1 276.742 3.653 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2ncccc21)c1c(C)noc1C ZINC000631603894 1129012793 /nfs/dbraw/zinc/01/27/93/1129012793.db2.gz WOBKDLQNSRDRTI-GOEBONIOSA-N 0 1 285.391 3.805 20 0 CHADMN CCCC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(C)[nH]n1 ZINC001179152029 1121853989 /nfs/dbraw/zinc/85/39/89/1121853989.db2.gz IXCDTMKHOPVOLR-SWLSCSKDSA-N 0 1 277.412 3.598 20 0 CHADMN COc1ccc(F)c(CNC/C=C\c2cccc(F)c2)c1 ZINC001179216087 1121859349 /nfs/dbraw/zinc/85/93/49/1121859349.db2.gz ITXJJGJIYMWVAG-HYXAFXHYSA-N 0 1 289.325 3.776 20 0 CHADMN O=C(Nc1ccc2cncn2c1)c1ccc2ccccc2c1 ZINC001179304589 1121868167 /nfs/dbraw/zinc/86/81/67/1121868167.db2.gz TZERUKBDSNLBOW-UHFFFAOYSA-N 0 1 287.322 3.740 20 0 CHADMN CCC[C@H](NCc1cnn2ccccc12)c1cc(C)ccn1 ZINC000631628398 1129014840 /nfs/dbraw/zinc/01/48/40/1129014840.db2.gz HJOMJFMWVFTBAX-INIZCTEOSA-N 0 1 294.402 3.669 20 0 CHADMN CCn1nnc(C)c1CN[C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC001179343092 1121874304 /nfs/dbraw/zinc/87/43/04/1121874304.db2.gz DCPKISONTVJJRG-IRXDYDNUSA-N 0 1 298.434 3.581 20 0 CHADMN CCc1ccccc1CNCc1noc2ccc(F)cc12 ZINC001179390239 1121875438 /nfs/dbraw/zinc/87/54/38/1121875438.db2.gz DXEKAUYINYYHPJ-UHFFFAOYSA-N 0 1 284.334 3.819 20 0 CHADMN Oc1ccc(Cl)c(CNC/C=C\c2ccccc2)c1 ZINC001179458270 1121881206 /nfs/dbraw/zinc/88/12/06/1121881206.db2.gz QWVKKQDNERXDRU-DAXSKMNVSA-N 0 1 273.763 3.849 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1cc(F)ccc1C ZINC000731891995 1121890976 /nfs/dbraw/zinc/89/09/76/1121890976.db2.gz GOFNIWYQNSVATA-UHFFFAOYSA-N 0 1 280.387 3.585 20 0 CHADMN COc1cc2c(cc1CNC(C)(C)/C=C/Cl)O[C@@H](C)C2 ZINC001179627134 1121896654 /nfs/dbraw/zinc/89/66/54/1121896654.db2.gz UROCJJNRESBCOD-QRGHLMKCSA-N 0 1 295.810 3.639 20 0 CHADMN CCC[C@H](NCc1ccc(CO)cc1)c1cc(C)ccn1 ZINC000631641851 1129016711 /nfs/dbraw/zinc/01/67/11/1129016711.db2.gz YDOKQJNVSHNZPJ-KRWDZBQOSA-N 0 1 284.403 3.513 20 0 CHADMN CC=Cc1ccc(NC(=O)c2cc(-c3ccco3)n[nH]2)cc1 ZINC000345687889 1121907622 /nfs/dbraw/zinc/90/76/22/1121907622.db2.gz UTRCYBHNEWIJIA-RQOWECAXSA-N 0 1 293.326 3.955 20 0 CHADMN Cc1cc(F)cc(C)c1CN(C)Cc1cccc(O)c1 ZINC001237317427 1129017670 /nfs/dbraw/zinc/01/76/70/1129017670.db2.gz LYHQOZZTMXZXER-UHFFFAOYSA-N 0 1 273.351 3.780 20 0 CHADMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1[C@@H]1C=CCCC1 ZINC000732208742 1121910120 /nfs/dbraw/zinc/91/01/20/1121910120.db2.gz DVJARXFRCBFHRB-AHCXZYCDSA-N 0 1 271.404 3.946 20 0 CHADMN FC(F)CCNCc1ncc(-c2ccccc2)s1 ZINC001179789992 1121910916 /nfs/dbraw/zinc/91/09/16/1121910916.db2.gz XTUHXTDFHLOBHM-UHFFFAOYSA-N 0 1 268.332 3.555 20 0 CHADMN Fc1ccc(C2(NCc3cccc4c3NCCC4)CC2)cc1 ZINC000894242146 1121916488 /nfs/dbraw/zinc/91/64/88/1121916488.db2.gz TVYXYXFYUSRZDH-UHFFFAOYSA-N 0 1 296.389 3.963 20 0 CHADMN CCOC(=O)CN(C[C@@H](C)CC1CCCCC1)C1CC1 ZINC001179862887 1121921657 /nfs/dbraw/zinc/92/16/57/1121921657.db2.gz FFPWNBSUIJRVKT-AWEZNQCLSA-N 0 1 281.440 3.620 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2ccc(F)cn2)cc1 ZINC000345863548 1121922613 /nfs/dbraw/zinc/92/26/13/1121922613.db2.gz RDTCLXZQZWTNLT-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN CC/C=C(/C)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732545248 1121924303 /nfs/dbraw/zinc/92/43/03/1121924303.db2.gz XMKOOPRKFQRWIX-BSKOKIOFSA-N 0 1 291.782 3.750 20 0 CHADMN COc1ccc(CN2CCCCC[C@@H]2c2ccco2)o1 ZINC001179931532 1121925634 /nfs/dbraw/zinc/92/56/34/1121925634.db2.gz NGNGPYXKIJQVND-CQSZACIVSA-N 0 1 275.348 3.999 20 0 CHADMN CCS[C@H]1CCCCN(Cc2ccc(Cl)nc2)C1 ZINC000732569156 1121927738 /nfs/dbraw/zinc/92/77/38/1121927738.db2.gz CVRWYAJFYPHBFS-ZDUSSCGKSA-N 0 1 284.856 3.843 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1Cc1sc(N2CCCC2)nc1Cl ZINC001179979779 1121933324 /nfs/dbraw/zinc/93/33/24/1121933324.db2.gz JUHPAFBFDVJKKW-WDEREUQCSA-N 0 1 299.871 3.627 20 0 CHADMN Fc1ccc([C@H](N[C@@H]2CCCC23CC3)c2cnccn2)cc1 ZINC000631665986 1129019769 /nfs/dbraw/zinc/01/97/69/1129019769.db2.gz VOIJHVXEJLNHPW-SJORKVTESA-N 0 1 297.377 3.627 20 0 CHADMN CC[C@@]1(C)CCN(Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC001180083165 1121948205 /nfs/dbraw/zinc/94/82/05/1121948205.db2.gz YCHXCARCSDEYRL-AWEZNQCLSA-N 0 1 267.804 3.563 20 0 CHADMN CC1(C)CCCN(Cn2cc(-c3ccccc3)cn2)C1 ZINC000732981283 1121948325 /nfs/dbraw/zinc/94/83/25/1121948325.db2.gz SEQQNPHAGQLQQV-UHFFFAOYSA-N 0 1 269.392 3.630 20 0 CHADMN Clc1ccc(Cl)c(-c2ccn(CN3CCCC3)n2)c1 ZINC000732978455 1121948896 /nfs/dbraw/zinc/94/88/96/1121948896.db2.gz KPBGYOGLUMDHQE-UHFFFAOYSA-N 0 1 296.201 3.910 20 0 CHADMN CC[C@H]1CN(Cc2ccc(C(F)F)c(F)c2)CCCO1 ZINC000894243764 1121953286 /nfs/dbraw/zinc/95/32/86/1121953286.db2.gz MOFSBPVQDMRXTB-LBPRGKRZSA-N 0 1 287.325 3.764 20 0 CHADMN Cc1cc(CN(C)Cc2ccc[nH]2)ccc1C(F)(F)F ZINC000414419097 1121956158 /nfs/dbraw/zinc/95/61/58/1121956158.db2.gz ZPWJLQUXFFKQRS-UHFFFAOYSA-N 0 1 282.309 3.974 20 0 CHADMN Cc1occc1CN(CCC(F)(F)F)CC1CC1 ZINC000414417950 1121956999 /nfs/dbraw/zinc/95/69/99/1121956999.db2.gz YJGDKQUNXAXWIV-UHFFFAOYSA-N 0 1 261.287 3.752 20 0 CHADMN CC(C)c1cnc(CN(C)C2CCC(C)CC2)o1 ZINC000733304143 1121971205 /nfs/dbraw/zinc/97/12/05/1121971205.db2.gz JNPOQKWMCJUMCB-UHFFFAOYSA-N 0 1 250.386 3.809 20 0 CHADMN Cc1scc(CN2CCOC[C@H]2CC(C)C)c1C ZINC001180272039 1121971439 /nfs/dbraw/zinc/97/14/39/1121971439.db2.gz XVVKBPZVULNTHX-OAHLLOKOSA-N 0 1 267.438 3.612 20 0 CHADMN CC(C)c1cnc(CN(C)[C@@H]2CCC[C@@H](C)C2)o1 ZINC000733306756 1121972144 /nfs/dbraw/zinc/97/21/44/1121972144.db2.gz FILJNTYNFAWONV-CHWSQXEVSA-N 0 1 250.386 3.809 20 0 CHADMN C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@](C)(F)C1 ZINC000501391086 1121974824 /nfs/dbraw/zinc/97/48/24/1121974824.db2.gz HCZMWJOTTBMHHU-YGRLFVJLSA-N 0 1 273.298 3.783 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1ccccc1Cl)C(F)(F)F ZINC000733323555 1121976853 /nfs/dbraw/zinc/97/68/53/1121976853.db2.gz KHNFSZJVYQHLCL-KWQFWETISA-N 0 1 281.705 3.568 20 0 CHADMN Clc1ccc2sc(C[N@@H+]3CC=CCC3)cc2n1 ZINC001180326749 1121981107 /nfs/dbraw/zinc/98/11/07/1121981107.db2.gz QEUZPVKZPOAHNT-UHFFFAOYSA-N 0 1 264.781 3.712 20 0 CHADMN Cc1ccc(CN[C@H](CC2CCC2)c2ccccc2)nn1 ZINC000414439836 1121984174 /nfs/dbraw/zinc/98/41/74/1121984174.db2.gz XFHARQAGIYEXIK-GOSISDBHSA-N 0 1 281.403 3.806 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](C)c2cnc(C)s2)s1 ZINC000631706858 1129022933 /nfs/dbraw/zinc/02/29/33/1129022933.db2.gz BPJOBMISDHQHIC-YUMQZZPRSA-N 0 1 267.423 3.628 20 0 CHADMN CCCOc1ccc(C(C)(C)NCc2ccc(C)nn2)cc1 ZINC000414443051 1121987454 /nfs/dbraw/zinc/98/74/54/1121987454.db2.gz HYGNDBFEQNXZMS-UHFFFAOYSA-N 0 1 299.418 3.599 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@@H]1C=CCCC1 ZINC000733448014 1121990154 /nfs/dbraw/zinc/99/01/54/1121990154.db2.gz PQLWNBUBKKONRM-CQSZACIVSA-N 0 1 282.343 3.651 20 0 CHADMN CC[C@H]1CO[C@@H](C)CN1Cc1cc2c(cccc2O)s1 ZINC001180530977 1121994588 /nfs/dbraw/zinc/99/45/88/1121994588.db2.gz AOTKYNVEMSNFSQ-RYUDHWBXSA-N 0 1 291.416 3.606 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1ccnn1CC1CCC1 ZINC001180497217 1121995920 /nfs/dbraw/zinc/99/59/20/1121995920.db2.gz FHMRTRAIBWHEOL-OAHLLOKOSA-N 0 1 283.419 3.876 20 0 CHADMN Fc1cccc2c1SCC[C@@H]2NCc1ccns1 ZINC000404269905 1122000322 /nfs/dbraw/zinc/00/03/22/1122000322.db2.gz HVDVUMOSFDYSIB-LBPRGKRZSA-N 0 1 280.393 3.609 20 0 CHADMN CN(CC(=O)Nc1cc2ccccc2s1)C1CCCC1 ZINC001180625596 1122001422 /nfs/dbraw/zinc/00/14/22/1122001422.db2.gz VYTOAESQJCRZJV-UHFFFAOYSA-N 0 1 288.416 3.714 20 0 CHADMN COc1ccc2c(c1)CC[C@H]2NCc1cccc(F)c1F ZINC000631725718 1129024254 /nfs/dbraw/zinc/02/42/54/1129024254.db2.gz IQLOCWICTGGEKF-MRXNPFEDSA-N 0 1 289.325 3.751 20 0 CHADMN Cc1nnc([C@@H](C)N[C@H](C)CCc2ccsc2)s1 ZINC001180674168 1122008014 /nfs/dbraw/zinc/00/80/14/1122008014.db2.gz TXBWJQFXSCHRPJ-NXEZZACHSA-N 0 1 281.450 3.580 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](C)C2)c1 ZINC000501787378 1122007997 /nfs/dbraw/zinc/00/79/97/1122007997.db2.gz WPGCQHUOMYRVHD-IMJJTQAJSA-N 0 1 288.435 3.608 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CC[C@H](C)[C@@H](C)C1 ZINC000501806640 1122009558 /nfs/dbraw/zinc/00/95/58/1122009558.db2.gz SZEXYWOPRDKEIA-STQMWFEESA-N 0 1 289.398 3.673 20 0 CHADMN C[C@H]1CCN(Cc2coc(-c3cccc(F)c3)n2)C[C@H]1C ZINC000501797839 1122010008 /nfs/dbraw/zinc/01/00/08/1122010008.db2.gz WRZJYIRVEXQSFD-QWHCGFSZSA-N 0 1 288.366 3.959 20 0 CHADMN Cc1sc(NC(=O)CN2CC[C@@H](C)[C@@H](C)C2)c(C)c1C ZINC000501797305 1122010690 /nfs/dbraw/zinc/01/06/90/1122010690.db2.gz UHQWYIXCNHDGJR-MNOVXSKESA-N 0 1 294.464 3.590 20 0 CHADMN C[C@H]1CN(Cc2coc(-c3cccc(F)c3)n2)CC[C@@H]1C ZINC000501797840 1122011198 /nfs/dbraw/zinc/01/11/98/1122011198.db2.gz WRZJYIRVEXQSFD-STQMWFEESA-N 0 1 288.366 3.959 20 0 CHADMN Cc1[nH]nc(CN2CC3(CCCC3)c3c2cccc3F)c1C ZINC001180723120 1122012715 /nfs/dbraw/zinc/01/27/15/1122012715.db2.gz BPPBUVBEPDQZDT-UHFFFAOYSA-N 0 1 299.393 3.998 20 0 CHADMN Cc1cccc(-c2noc(CN3CC[C@@H](C)[C@H](C)C3)n2)c1 ZINC000501815121 1122015315 /nfs/dbraw/zinc/01/53/15/1122015315.db2.gz MMDGCNKXTGKSDC-ZIAGYGMSSA-N 0 1 285.391 3.523 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1nc(-c2ccsc2Cl)no1 ZINC000420503085 1122018106 /nfs/dbraw/zinc/01/81/06/1122018106.db2.gz MVPXEKUZRWPMSE-DTORHVGOSA-N 0 1 297.811 3.824 20 0 CHADMN Cc1ccnc(CN2CCCCC[C@H]2C)c1Br ZINC001181009101 1122028264 /nfs/dbraw/zinc/02/82/64/1122028264.db2.gz ZDGRIIPFUPFYBG-GFCCVEGCSA-N 0 1 297.240 3.917 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3C(C)C)n[nH]2)cc1 ZINC000502057928 1122032188 /nfs/dbraw/zinc/03/21/88/1122032188.db2.gz VEKHXPGNMFVKML-QGZVFWFLSA-N 0 1 297.402 3.646 20 0 CHADMN COc1cc(Cl)c(CN2CCCC3(CC3)C2)cc1OC ZINC001181111453 1122034996 /nfs/dbraw/zinc/03/49/96/1122034996.db2.gz GAKWMAUEUXYEDJ-UHFFFAOYSA-N 0 1 295.810 3.733 20 0 CHADMN FC[C@@H]1CN(Cc2ccc(-c3ccccc3)o2)CCCO1 ZINC000414473208 1122036439 /nfs/dbraw/zinc/03/64/39/1122036439.db2.gz AFYGQVMWSKRKBF-MRXNPFEDSA-N 0 1 289.350 3.507 20 0 CHADMN Fc1ccc(CN2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000420942380 1122046978 /nfs/dbraw/zinc/04/69/78/1122046978.db2.gz HAFLYJKEDZGJPD-GFCCVEGCSA-N 0 1 275.289 3.990 20 0 CHADMN CC1(C)C[C@@H]1C(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001181299351 1122047741 /nfs/dbraw/zinc/04/77/41/1122047741.db2.gz UQKDICJELKVFNN-ZCFIWIBFSA-N 0 1 274.147 3.684 20 0 CHADMN C(c1nc(C2CCCC2)no1)N1CC[C@H](C2CCCC2)C1 ZINC000420963375 1122051469 /nfs/dbraw/zinc/05/14/69/1122051469.db2.gz NFLOPJANHQYEEH-HNNXBMFYSA-N 0 1 289.423 3.739 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CC[C@H](C3CCCC3)C2)n1 ZINC000420959364 1122051540 /nfs/dbraw/zinc/05/15/40/1122051540.db2.gz DOHYKDKBQJHYMW-OCCSQVGLSA-N 0 1 277.412 3.766 20 0 CHADMN Cc1cccnc1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420943209 1122052830 /nfs/dbraw/zinc/05/28/30/1122052830.db2.gz HYUITUARQDPTQO-LBPRGKRZSA-N 0 1 272.314 3.554 20 0 CHADMN CN(Cc1ccsc1)Cc1cc2cnccc2o1 ZINC001181391048 1122053265 /nfs/dbraw/zinc/05/32/65/1122053265.db2.gz RFOQUCAPRZXGPC-UHFFFAOYSA-N 0 1 258.346 3.521 20 0 CHADMN c1nc(C[N@H+]2CC[C@H](C3CCCC3)C2)oc1C1CC1 ZINC000420967688 1122053768 /nfs/dbraw/zinc/05/37/68/1122053768.db2.gz ZBXUUTFSAMXJPY-AWEZNQCLSA-N 0 1 260.381 3.564 20 0 CHADMN c1nc(CN2CC[C@H](C3CCCC3)C2)oc1C1CC1 ZINC000420967688 1122053773 /nfs/dbraw/zinc/05/37/73/1122053773.db2.gz ZBXUUTFSAMXJPY-AWEZNQCLSA-N 0 1 260.381 3.564 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@H](CCO)CC1 ZINC000421009181 1122054899 /nfs/dbraw/zinc/05/48/99/1122054899.db2.gz FAFGGZCVYMVYRX-UONOGXRCSA-N 0 1 294.439 3.518 20 0 CHADMN CC(C)c1nc(CN(C(C)C)[C@H](C)c2ccsc2)n[nH]1 ZINC000421007144 1122061502 /nfs/dbraw/zinc/06/15/02/1122061502.db2.gz KWUMXQZOUSSXOT-GFCCVEGCSA-N 0 1 292.452 3.961 20 0 CHADMN C[C@H]1CCCC[C@H]1N(C)Cc1nc(Cl)cs1 ZINC001181637464 1122065900 /nfs/dbraw/zinc/06/59/00/1122065900.db2.gz HNQCTCQCFFUSAX-VHSXEESVSA-N 0 1 258.818 3.807 20 0 CHADMN Clc1ccc([C@H]2CC[C@H](NCc3csnn3)C2)cc1 ZINC000414499138 1122072054 /nfs/dbraw/zinc/07/20/54/1122072054.db2.gz JOLQJMUSROLPFM-AAEUAGOBSA-N 0 1 293.823 3.617 20 0 CHADMN CC(C)[C@@H]1C[N@H+](Cc2ccc([O-])c(F)c2F)[C@H]1C(C)C ZINC001181752727 1122073495 /nfs/dbraw/zinc/07/34/95/1122073495.db2.gz JUCOJSISBMXSHN-LRDDRELGSA-N 0 1 283.362 3.783 20 0 CHADMN CC(C)[C@@H]1C[N@@H+](Cc2ccc([O-])c(F)c2F)[C@H]1C(C)C ZINC001181752727 1122073501 /nfs/dbraw/zinc/07/35/01/1122073501.db2.gz JUCOJSISBMXSHN-LRDDRELGSA-N 0 1 283.362 3.783 20 0 CHADMN Fc1ccc2c(c1)CCN(Cc1cncc3ccccc31)C2 ZINC000779599443 1129029829 /nfs/dbraw/zinc/02/98/29/1129029829.db2.gz SUZICLCMOYZHIZ-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN FC(F)(F)c1ccnc(CNCCC2CCCCC2)n1 ZINC000414504765 1122079075 /nfs/dbraw/zinc/07/90/75/1122079075.db2.gz KTKLAMPTHRCFNW-UHFFFAOYSA-N 0 1 287.329 3.555 20 0 CHADMN CC[C@H](CC(C)C)C(=O)Nc1nc2cccc(C)c2[nH]1 ZINC001181807028 1122080106 /nfs/dbraw/zinc/08/01/06/1122080106.db2.gz XLZFGAGPWPHHHU-GFCCVEGCSA-N 0 1 273.380 3.882 20 0 CHADMN COCCN(Cc1cccnc1)Cc1cccc(C2CC2)c1 ZINC000421358435 1122101041 /nfs/dbraw/zinc/10/10/41/1122101041.db2.gz SYLCQOFFTUJWLV-UHFFFAOYSA-N 0 1 296.414 3.608 20 0 CHADMN CC(C)N(Cc1cccc(C2CCCC2)c1)C1COC1 ZINC001181986850 1122102350 /nfs/dbraw/zinc/10/23/50/1122102350.db2.gz OKBVKTYKKPRKIK-UHFFFAOYSA-N 0 1 273.420 3.953 20 0 CHADMN CCN1CCCC[C@@H]1C(=O)Nc1cccc2c(C)c(C)[nH]c21 ZINC001181996887 1122102512 /nfs/dbraw/zinc/10/25/12/1122102512.db2.gz OIEZGEJJAVWJGM-MRXNPFEDSA-N 0 1 299.418 3.598 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)NCc2cc(C)nc(C)c2)c1 ZINC000421370862 1122102839 /nfs/dbraw/zinc/10/28/39/1122102839.db2.gz DEQPBOASPWXSRZ-CQSZACIVSA-N 0 1 297.402 3.508 20 0 CHADMN CC(C)N(Cc1cncnc1)[C@@H](C)c1ccsc1 ZINC000421376558 1122103885 /nfs/dbraw/zinc/10/38/85/1122103885.db2.gz RLOHMUBEAFWFLW-LBPRGKRZSA-N 0 1 261.394 3.510 20 0 CHADMN CSC[C@@H]1CCCN(Cc2c(F)cc(C)cc2F)C1 ZINC001182043866 1122106514 /nfs/dbraw/zinc/10/65/14/1122106514.db2.gz PUDQLUVOSKIUOA-GFCCVEGCSA-N 0 1 285.403 3.848 20 0 CHADMN CCc1[nH]nc(Cl)c1CN1CC2(CCC2)[C@@H]1C(C)C ZINC001182084802 1122110768 /nfs/dbraw/zinc/11/07/68/1122110768.db2.gz BUKNQMGSWFQESR-ZDUSSCGKSA-N 0 1 281.831 3.636 20 0 CHADMN CCC(CC)[N@@H+](CC)Cc1sc(N(C)C)nc1Cl ZINC001182140873 1122114288 /nfs/dbraw/zinc/11/42/88/1122114288.db2.gz RCMXUTPEWVWLFO-UHFFFAOYSA-N 0 1 289.876 3.873 20 0 CHADMN CSc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)o1 ZINC001182184937 1122116954 /nfs/dbraw/zinc/11/69/54/1122116954.db2.gz WGTJIJMVBLILKH-AWEZNQCLSA-N 0 1 263.406 3.766 20 0 CHADMN CCc1nn(C)c(Cl)c1CN1CC[C@H](C)C2(CCC2)C1 ZINC000779604073 1129032437 /nfs/dbraw/zinc/03/24/37/1129032437.db2.gz FSLKBEFCPDRIAS-LBPRGKRZSA-N 0 1 295.858 3.648 20 0 CHADMN CCN(CC)C(=O)CN(C)[C@H](C)c1cccc2ccccc21 ZINC000620109124 1129034115 /nfs/dbraw/zinc/03/41/15/1129034115.db2.gz XTSOMAXQOKDTSN-OAHLLOKOSA-N 0 1 298.430 3.701 20 0 CHADMN CC(C)OCC(C)(C)NCc1nc2ccc(F)cc2s1 ZINC000414547716 1122149893 /nfs/dbraw/zinc/14/98/93/1122149893.db2.gz IUZHCPVXXQRQCQ-UHFFFAOYSA-N 0 1 296.411 3.729 20 0 CHADMN CCN(C/C=C\c1ccncc1)Cc1occc1C ZINC000414549358 1122151343 /nfs/dbraw/zinc/15/13/43/1122151343.db2.gz LCUVMTIWFSGRBJ-PLNGDYQASA-N 0 1 256.349 3.518 20 0 CHADMN CC(C)OCC(C)(C)NCc1nc2c(s1)C[C@@H](C)CC2 ZINC000414550719 1122151861 /nfs/dbraw/zinc/15/18/61/1122151861.db2.gz NQFYEXYGRLLIPE-LBPRGKRZSA-N 0 1 296.480 3.561 20 0 CHADMN CC1(C)CCCC[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000192783778 1129034932 /nfs/dbraw/zinc/03/49/32/1129034932.db2.gz BUIFWYZUWNLMAI-HUUCEWRRSA-N 0 1 298.386 3.550 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN[C@@H](C)c1csnn1 ZINC000414553569 1122154314 /nfs/dbraw/zinc/15/43/14/1122154314.db2.gz SQWRZAOPCZNGKN-OLZOCXBDSA-N 0 1 267.442 3.961 20 0 CHADMN CCc1nocc1CN1CC(c2ccccc2)(C(C)C)C1 ZINC000414556446 1122156982 /nfs/dbraw/zinc/15/69/82/1122156982.db2.gz YRESNGDCFQBYAD-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN CN(C)Cc1ccc(N[C@@H]2CCCc3occc32)cc1F ZINC000774346578 1122159319 /nfs/dbraw/zinc/15/93/19/1122159319.db2.gz XYJDHUNQJFDBPY-MRXNPFEDSA-N 0 1 288.366 3.970 20 0 CHADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000263396548 1129035647 /nfs/dbraw/zinc/03/56/47/1129035647.db2.gz ZLAFLENFPHWQIV-UIDBIOKJSA-N 0 1 295.467 3.882 20 0 CHADMN CC[C@H]1CN(Cc2ccc3c(c2)CCCC3)C[C@H](CC)O1 ZINC001182462316 1122165286 /nfs/dbraw/zinc/16/52/86/1122165286.db2.gz OZWVRCBCYKPWRX-OALUTQOASA-N 0 1 287.447 3.955 20 0 CHADMN FC(F)[C@@H]1CCCCN1Cc1cnc(-c2ccccc2)[nH]1 ZINC000503084020 1122166241 /nfs/dbraw/zinc/16/62/41/1122166241.db2.gz KAYFVYJSYCARKK-AWEZNQCLSA-N 0 1 291.345 3.696 20 0 CHADMN Cc1ccc([C@H](NCc2cccc(F)n2)C2CC2)cc1 ZINC000774458514 1122167103 /nfs/dbraw/zinc/16/71/03/1122167103.db2.gz OBRZHKWBCQZMHJ-KRWDZBQOSA-N 0 1 270.351 3.770 20 0 CHADMN C[C@H]1CCC[C@@H]1NCc1c(F)c(F)c(F)c(F)c1F ZINC000774505356 1122172222 /nfs/dbraw/zinc/17/22/22/1122172222.db2.gz BNDUMYITQOFBQT-XPUUQOCRSA-N 0 1 279.252 3.660 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2c(C)onc2CC)c1 ZINC000271731150 1122172795 /nfs/dbraw/zinc/17/27/95/1122172795.db2.gz YVSFWUQBENCQAI-GFCCVEGCSA-N 0 1 288.391 3.795 20 0 CHADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000263396545 1129036195 /nfs/dbraw/zinc/03/61/95/1129036195.db2.gz ZLAFLENFPHWQIV-JWMHWRSXSA-N 0 1 295.467 3.882 20 0 CHADMN C[C@H](N[C@@H](C)c1cc(Cl)c(N)c(Cl)c1)c1cn[nH]c1 ZINC000271749913 1122173879 /nfs/dbraw/zinc/17/38/79/1122173879.db2.gz RKCKWICHYVMFCL-YUMQZZPRSA-N 0 1 299.205 3.711 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccns2)c(C)s1 ZINC000404418041 1122173997 /nfs/dbraw/zinc/17/39/97/1122173997.db2.gz AQWSULXPDFLOCW-SECBINFHSA-N 0 1 252.408 3.672 20 0 CHADMN COC[C@H](NCc1ccccc1OC(C)C)c1ccccc1 ZINC000271777359 1122175530 /nfs/dbraw/zinc/17/55/30/1122175530.db2.gz HAKCPXSKGRASTG-SFHVURJKSA-N 0 1 299.414 3.951 20 0 CHADMN CCC[N@@H+](Cc1c(F)cccc1OCC)C(C)C ZINC001182604604 1122179357 /nfs/dbraw/zinc/17/93/57/1122179357.db2.gz IVUMYGHRZXAYLV-UHFFFAOYSA-N 0 1 253.361 3.845 20 0 CHADMN CCc1cc(CNc2ccnc3cc(Cl)ccc32)n[nH]1 ZINC000774530676 1122182677 /nfs/dbraw/zinc/18/26/77/1122182677.db2.gz UUSANJRWUSFGLA-UHFFFAOYSA-N 0 1 286.766 3.786 20 0 CHADMN C[C@@H](CC[N@H+]1C[C@@H](C)OC2(CCC2)C1)c1ccccc1 ZINC001182703520 1122184105 /nfs/dbraw/zinc/18/41/05/1122184105.db2.gz JDBRUGZZYSYWSV-JKSUJKDBSA-N 0 1 273.420 3.824 20 0 CHADMN C[C@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)CC2(CCCC2)O1 ZINC001182725580 1122185637 /nfs/dbraw/zinc/18/56/37/1122185637.db2.gz LDTKYIPZLHIYCG-IRXDYDNUSA-N 0 1 299.458 3.825 20 0 CHADMN C[C@H]1CN(C[C@H]2CCc3ccccc3C2)CC2(CCCC2)O1 ZINC001182725580 1122185640 /nfs/dbraw/zinc/18/56/40/1122185640.db2.gz LDTKYIPZLHIYCG-IRXDYDNUSA-N 0 1 299.458 3.825 20 0 CHADMN C[C@H](NC1(c2ccccc2)CCC1)c1cncs1 ZINC000272044981 1122188065 /nfs/dbraw/zinc/18/80/65/1122188065.db2.gz LXUWFZIJDHWHKM-LBPRGKRZSA-N 0 1 258.390 3.873 20 0 CHADMN C[C@H]1COC2(CCC2)CN1c1ccnc2cc(F)ccc21 ZINC000664279871 1122189909 /nfs/dbraw/zinc/18/99/09/1122189909.db2.gz ZIVWLIGUAIQQKE-LBPRGKRZSA-N 0 1 286.350 3.522 20 0 CHADMN Cc1cccc([C@@H](NCc2ccn(C)n2)C(C)(C)C)c1 ZINC000272093281 1122190023 /nfs/dbraw/zinc/19/00/23/1122190023.db2.gz NNDGEWNPBNCJMD-MRXNPFEDSA-N 0 1 271.408 3.606 20 0 CHADMN C[C@]1(CNCc2c(Cl)ccnc2Cl)CC1(F)F ZINC001182941583 1122195601 /nfs/dbraw/zinc/19/56/01/1122195601.db2.gz MULLMKAUIVAIQH-SNVBAGLBSA-N 0 1 281.133 3.523 20 0 CHADMN CC(C)[C@@H](CN1CCO[C@@](C)(C(F)F)C1)c1ccccc1 ZINC001182990731 1122199632 /nfs/dbraw/zinc/19/96/32/1122199632.db2.gz RTDIVGXIMYPBMX-NVXWUHKLSA-N 0 1 297.389 3.782 20 0 CHADMN COCC[C@H](NCc1ccc(C)cc1C)c1ccco1 ZINC000272398759 1122200784 /nfs/dbraw/zinc/20/07/84/1122200784.db2.gz AQXRQYSAXDLTOR-INIZCTEOSA-N 0 1 273.376 3.764 20 0 CHADMN COCC[C@@H](NCc1ccc(C)cc1C)c1ccco1 ZINC000272398761 1122201366 /nfs/dbraw/zinc/20/13/66/1122201366.db2.gz AQXRQYSAXDLTOR-MRXNPFEDSA-N 0 1 273.376 3.764 20 0 CHADMN CCCCCCC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000272457350 1122203127 /nfs/dbraw/zinc/20/31/27/1122203127.db2.gz NPIVTVZSDUCTCA-UHFFFAOYSA-N 0 1 259.300 3.565 20 0 CHADMN CC1(C)C[C@@H](N[C@@H](CCc2ccccc2)C(F)F)CCO1 ZINC000272490363 1122203870 /nfs/dbraw/zinc/20/38/70/1122203870.db2.gz KEBYLWCOORNRMD-GJZGRUSLSA-N 0 1 297.389 3.800 20 0 CHADMN COCC[C@H](N[C@@H]1CCc2ccccc21)c1ccco1 ZINC000272584291 1122205918 /nfs/dbraw/zinc/20/59/18/1122205918.db2.gz QZPOOFQANLIVBH-CVEARBPZSA-N 0 1 271.360 3.634 20 0 CHADMN CSc1ccccc1CN(C)CCC(F)(F)F ZINC000272693207 1122209651 /nfs/dbraw/zinc/20/96/51/1122209651.db2.gz GOUUSLZLUMVYJL-UHFFFAOYSA-N 0 1 263.328 3.793 20 0 CHADMN C[C@H](NCc1ccc(SC(F)F)cc1)c1cn[nH]c1 ZINC000272722359 1122211920 /nfs/dbraw/zinc/21/19/20/1122211920.db2.gz KBYZGBJMKOUSRA-VIFPVBQESA-N 0 1 283.347 3.575 20 0 CHADMN Fc1cc(Cl)ccc1CN[C@@H]1CCCC[C@@H]1F ZINC001183227554 1122212929 /nfs/dbraw/zinc/21/29/29/1122212929.db2.gz STBYJMVBYUBOAE-WCQYABFASA-N 0 1 259.727 3.849 20 0 CHADMN CC[C@@H]1C[C@H](CC(=O)Nc2cccc(Cl)c2O)CCO1 ZINC000272827193 1122213528 /nfs/dbraw/zinc/21/35/28/1122213528.db2.gz NYOVWLNALQJPSE-GHMZBOCLSA-N 0 1 297.782 3.579 20 0 CHADMN CC(C)[C@H](C(=O)Nc1ccc(F)c2ccccc12)N(C)C ZINC001183363528 1122218435 /nfs/dbraw/zinc/21/84/35/1122218435.db2.gz XDGOXMQNVPTEBT-MRXNPFEDSA-N 0 1 288.366 3.504 20 0 CHADMN CCC[C@H](NCc1cc(OC)ccn1)c1ccccc1 ZINC000273116769 1122220147 /nfs/dbraw/zinc/22/01/47/1122220147.db2.gz GZROJDCKYUBDRU-KRWDZBQOSA-N 0 1 270.376 3.721 20 0 CHADMN CCCn1cc(CN(C)Cc2ccc3cc[nH]c3c2)c(C)n1 ZINC001183474292 1122224829 /nfs/dbraw/zinc/22/48/29/1122224829.db2.gz ZYXBRTYVXCOLKK-UHFFFAOYSA-N 0 1 296.418 3.715 20 0 CHADMN C[C@H](NCc1n[nH]c(C2CC2)n1)c1cc2ccccc2s1 ZINC000273246955 1122225675 /nfs/dbraw/zinc/22/56/75/1122225675.db2.gz CNUVZNCOVDTDST-JTQLQIEISA-N 0 1 298.415 3.748 20 0 CHADMN CCc1noc(C)c1CN[C@@H](C)c1ccc(C)s1 ZINC000273255970 1122225720 /nfs/dbraw/zinc/22/57/20/1122225720.db2.gz FBBWDHHMYMJGDY-JTQLQIEISA-N 0 1 264.394 3.766 20 0 CHADMN COc1ccnc(CN[C@H](C)c2ccc(Cl)cc2)c1 ZINC000273319246 1122228100 /nfs/dbraw/zinc/22/81/00/1122228100.db2.gz JVTUREJNEALWNH-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN Cc1cc(C[C@@H](C)N[C@@H](c2ccccc2)C(F)(F)F)[nH]n1 ZINC000273331972 1122228886 /nfs/dbraw/zinc/22/88/86/1122228886.db2.gz JWPNAWNAGSWBAG-YGRLFVJLSA-N 0 1 297.324 3.542 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccccc1F)c1c(C)nn(C)c1C ZINC000153490804 1129040047 /nfs/dbraw/zinc/04/00/47/1129040047.db2.gz XLQBEQVQEYPAND-BDJLRTHQSA-N 0 1 289.398 3.978 20 0 CHADMN Cc1ncccc1CNc1nc2ccc(Cl)cc2[nH]1 ZINC001203572532 1122232138 /nfs/dbraw/zinc/23/21/38/1122232138.db2.gz PASXQMZFGGHZHC-UHFFFAOYSA-N 0 1 272.739 3.532 20 0 CHADMN CCC(CC)CCCN(C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000620198701 1129040589 /nfs/dbraw/zinc/04/05/89/1129040589.db2.gz KAQKNNAIXHFLCB-CQSZACIVSA-N 0 1 291.439 3.504 20 0 CHADMN Cc1nnc([C@H](C)NCCCc2ccccc2Cl)s1 ZINC000273606415 1122239872 /nfs/dbraw/zinc/23/98/72/1122239872.db2.gz MOZJPRCEJUSLDJ-JTQLQIEISA-N 0 1 295.839 3.783 20 0 CHADMN CC[C@@H](CC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1)C(C)(C)C ZINC000632199326 1129041979 /nfs/dbraw/zinc/04/19/79/1129041979.db2.gz WSPFHJLBKAMOMP-RYUDHWBXSA-N 0 1 294.443 3.568 20 0 CHADMN CC(C)(C)N1CCN(C(=O)CCCC2CCCCC2)CC1 ZINC001184223657 1122263012 /nfs/dbraw/zinc/26/30/12/1122263012.db2.gz KWQDNCFUVWCQMS-UHFFFAOYSA-N 0 1 294.483 3.680 20 0 CHADMN CC[C@@H](CC(F)(F)F)Nc1ccnc(C)c1Cl ZINC000503575220 1122268508 /nfs/dbraw/zinc/26/85/08/1122268508.db2.gz ASEAMXBXLVLKGG-QMMMGPOBSA-N 0 1 266.694 3.608 20 0 CHADMN Cc1noc([C@H](N[C@H](C)Cc2cccc(C)c2)C(C)C)n1 ZINC001184439952 1122274283 /nfs/dbraw/zinc/27/42/83/1122274283.db2.gz QPDKGIOVWSINDB-CZUORRHYSA-N 0 1 287.407 3.604 20 0 CHADMN Cn1ccnc1CN[C@@H](c1ccccc1)C1CCCCC1 ZINC000071139004 1129043758 /nfs/dbraw/zinc/04/37/58/1129043758.db2.gz HWKSIKQVQZCLQF-SFHVURJKSA-N 0 1 283.419 3.831 20 0 CHADMN Fc1cc(Cl)cc(Cl)c1CCN1CCCC1 ZINC001250166704 1122297170 /nfs/dbraw/zinc/29/71/70/1122297170.db2.gz UEFCUOMQEOJDGX-UHFFFAOYSA-N 0 1 262.155 3.771 20 0 CHADMN Cc1ccc(CNCc2cccnc2C)c(OC(C)C)c1 ZINC000153666851 1122289346 /nfs/dbraw/zinc/28/93/46/1122289346.db2.gz QLWXSIWFMUJYLA-UHFFFAOYSA-N 0 1 284.403 3.775 20 0 CHADMN CSc1c(Cl)cccc1Nc1cncn1C ZINC001250159285 1122291120 /nfs/dbraw/zinc/29/11/20/1122291120.db2.gz YLFPKUMDVVKLJG-UHFFFAOYSA-N 0 1 253.758 3.539 20 0 CHADMN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NCc1ocnc1C ZINC000894283501 1122291971 /nfs/dbraw/zinc/29/19/71/1122291971.db2.gz JKKJGFJSOMRMBQ-NHYWBVRUSA-N 0 1 294.782 3.502 20 0 CHADMN CC(C)C(N)=NOCc1cc(Cl)ccc1Cl ZINC000774778156 1122295681 /nfs/dbraw/zinc/29/56/81/1122295681.db2.gz FZPZUDZOLJIUKE-UHFFFAOYSA-N 0 1 261.152 3.648 20 0 CHADMN CC1(C)CCCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000504558894 1122298002 /nfs/dbraw/zinc/29/80/02/1122298002.db2.gz LIFYRAMNGDJKKX-UHFFFAOYSA-N 0 1 297.402 3.729 20 0 CHADMN Cc1ccc(CN2CC[C@H](CF)C2)cc1Br ZINC000711519625 1122298222 /nfs/dbraw/zinc/29/82/22/1122298222.db2.gz RCGAYAPECMPLGE-GFCCVEGCSA-N 0 1 286.188 3.549 20 0 CHADMN Cc1ccc(F)c(NC(=O)Nc2cc(O)c(F)c(F)c2)c1 ZINC001185258036 1122329678 /nfs/dbraw/zinc/32/96/78/1122329678.db2.gz MLXCPSZKPYVOJQ-UHFFFAOYSA-N 0 1 296.248 3.762 20 0 CHADMN CC(C)[C@H]1CCC[C@@H](Nc2nc(Cl)nc3[nH]cnc32)C1 ZINC001185298460 1122332778 /nfs/dbraw/zinc/33/27/78/1122332778.db2.gz ICUXSVZZEOYAPS-VHSXEESVSA-N 0 1 293.802 3.633 20 0 CHADMN CC(C)Cc1cccc(NS(=O)(=O)c2ccsc2)c1 ZINC001185391220 1122336198 /nfs/dbraw/zinc/33/61/98/1122336198.db2.gz XXPSSOGOLBSFPZ-UHFFFAOYSA-N 0 1 295.429 3.747 20 0 CHADMN Cc1nc(Cc2cc(F)c(O)c(Cl)c2)cs1 ZINC001250197933 1122350418 /nfs/dbraw/zinc/35/04/18/1122350418.db2.gz DBMVBWIEHXMQCL-UHFFFAOYSA-N 0 1 257.717 3.540 20 0 CHADMN COc1cccc(Cl)c1CN1CCC[C@@H](C)C1 ZINC000505350216 1122358488 /nfs/dbraw/zinc/35/84/88/1122358488.db2.gz OEKVVHGQZZIYBP-LLVKDONJSA-N 0 1 253.773 3.581 20 0 CHADMN CCc1cc(C(=O)N(Cc2ccccc2)CC(C)(C)C)n[nH]1 ZINC000505423402 1122370189 /nfs/dbraw/zinc/37/01/89/1122370189.db2.gz UMXWFMCZORAXGJ-UHFFFAOYSA-N 0 1 299.418 3.661 20 0 CHADMN CC(C)(C)N1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 ZINC001185975984 1122370647 /nfs/dbraw/zinc/37/06/47/1122370647.db2.gz NRTRYLMYOXWVQA-UHFFFAOYSA-N 0 1 294.483 3.536 20 0 CHADMN Cc1cc2ccccc2c(N(C)CCc2ccncc2)n1 ZINC000074402748 1122373497 /nfs/dbraw/zinc/37/34/97/1122373497.db2.gz OMMQSFHKRGMALI-UHFFFAOYSA-N 0 1 277.371 3.617 20 0 CHADMN CCCN(Cc1ncnn1C(C)C)CC1CCCCC1 ZINC000434538767 1122376517 /nfs/dbraw/zinc/37/65/17/1122376517.db2.gz BMSFVFJXHAJZPY-UHFFFAOYSA-N 0 1 278.444 3.651 20 0 CHADMN CC[C@]1(C)COCCN1C[C@H](OC)c1ccc(Cl)cc1 ZINC000514118682 1122380137 /nfs/dbraw/zinc/38/01/37/1122380137.db2.gz MCDVYXAEGBEAFT-JKSUJKDBSA-N 0 1 297.826 3.528 20 0 CHADMN Oc1c(F)cc(F)c(Cc2cc(F)c(F)c(F)c2)c1F ZINC001250234825 1122381484 /nfs/dbraw/zinc/38/14/84/1122381484.db2.gz IVJSLRXLHQCMOI-UHFFFAOYSA-N 0 1 292.178 3.818 20 0 CHADMN c1ccc(C(c2ccccc2)N2CCO[C@H](C3CC3)C2)cc1 ZINC000514215818 1122387462 /nfs/dbraw/zinc/38/74/62/1122387462.db2.gz WPRCAMIRRIVSLO-IBGZPJMESA-N 0 1 293.410 3.887 20 0 CHADMN C[C@@H](NC(=O)Nc1ccc(F)c(F)c1O)C1CCCCC1 ZINC001186344143 1122387563 /nfs/dbraw/zinc/38/75/63/1122387563.db2.gz GPGKMROCKZWVDS-SECBINFHSA-N 0 1 298.333 3.761 20 0 CHADMN Cc1cccc(CN(C)Cc2cnn(CC(C)C)c2)c1C ZINC000430104157 1122401115 /nfs/dbraw/zinc/40/11/15/1122401115.db2.gz RBRBDJQHAWUOLX-UHFFFAOYSA-N 0 1 285.435 3.788 20 0 CHADMN C[C@]12CCN(C/C=C\c3ccc(F)c(F)c3)C[C@H]1C2(F)F ZINC000430091864 1122402204 /nfs/dbraw/zinc/40/22/04/1122402204.db2.gz ZKGPEOAKGJOVCU-VIOGHGGCSA-N 0 1 299.311 3.955 20 0 CHADMN Cc1cccc(CN(C)Cc2cc(O)cc(F)c2)c1C ZINC000430100649 1122404499 /nfs/dbraw/zinc/40/44/99/1122404499.db2.gz NXUPWPURRGKDAU-UHFFFAOYSA-N 0 1 273.351 3.780 20 0 CHADMN Cc1ccoc1CN(C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000430119559 1122407713 /nfs/dbraw/zinc/40/77/13/1122407713.db2.gz FSJFYTFOASEUAW-UHFFFAOYSA-N 0 1 285.387 3.934 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cc(C)n(C)n1)c1ccccc1 ZINC000282322484 1122424919 /nfs/dbraw/zinc/42/49/19/1122424919.db2.gz UKBPXUKDXTWNKY-DZGCQCFKSA-N 0 1 257.381 3.530 20 0 CHADMN Cc1ccccc1CN(C)Cc1cccc2c1OCCCO2 ZINC000505583829 1122425445 /nfs/dbraw/zinc/42/54/45/1122425445.db2.gz AHCGALUBFBSACT-UHFFFAOYSA-N 0 1 297.398 3.788 20 0 CHADMN Fc1ccccc1-c1nc(CNCC2CCCCC2)no1 ZINC000435023465 1122428589 /nfs/dbraw/zinc/42/85/89/1122428589.db2.gz KMYDOZGIAWENNP-UHFFFAOYSA-N 0 1 289.354 3.546 20 0 CHADMN Cc1ccn(C2CCN(Cc3cc(Cl)cs3)CC2)n1 ZINC000435047746 1122431249 /nfs/dbraw/zinc/43/12/49/1122431249.db2.gz CTWKXXYGNBUYMX-UHFFFAOYSA-N 0 1 295.839 3.744 20 0 CHADMN CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2cncc(C)c2)C1(C)C ZINC001167957604 1122432733 /nfs/dbraw/zinc/43/27/33/1122432733.db2.gz CMDXKCCLILNWII-DLBZAZTESA-N 0 1 290.451 3.806 20 0 CHADMN CCc1ccc(CN(C)Cc2sc(C)nc2C)cc1 ZINC000505602636 1122433490 /nfs/dbraw/zinc/43/34/90/1122433490.db2.gz AUIPPVHVHGWWEE-UHFFFAOYSA-N 0 1 274.433 3.954 20 0 CHADMN CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000505616637 1122439470 /nfs/dbraw/zinc/43/94/70/1122439470.db2.gz WRMRYDYWQSBXGK-KXBFYZLASA-N 0 1 296.414 3.748 20 0 CHADMN CC[C@H]1CO[C@@H](C)CN1Cc1cccc(-c2ccncc2)c1 ZINC000505616637 1122439474 /nfs/dbraw/zinc/43/94/74/1122439474.db2.gz WRMRYDYWQSBXGK-KXBFYZLASA-N 0 1 296.414 3.748 20 0 CHADMN CC[C@H]1CO[C@@H](C)CN1Cc1cccc(-c2ccccn2)c1 ZINC000505628620 1122444125 /nfs/dbraw/zinc/44/41/25/1122444125.db2.gz AKPJJFHDAGXDEF-YJBOKZPZSA-N 0 1 296.414 3.748 20 0 CHADMN C[C@@H](SCc1nn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC000435233364 1122446034 /nfs/dbraw/zinc/44/60/34/1122446034.db2.gz UPNQOHXWPMZCCY-ZCFIWIBFSA-N 0 1 289.191 3.501 20 0 CHADMN C[C@@H](SCc1nn[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000435233364 1122446038 /nfs/dbraw/zinc/44/60/38/1122446038.db2.gz UPNQOHXWPMZCCY-ZCFIWIBFSA-N 0 1 289.191 3.501 20 0 CHADMN c1[nH]nnc1CCSC(c1ccccc1)c1ccccc1 ZINC001187981363 1122449266 /nfs/dbraw/zinc/44/92/66/1122449266.db2.gz RYUDJGMKJFSHTL-UHFFFAOYSA-N 0 1 295.411 3.870 20 0 CHADMN COc1ccc([C@@H]2CCCN2Cc2cncn2C(C)C)cc1 ZINC000425323893 1122452772 /nfs/dbraw/zinc/45/27/72/1122452772.db2.gz LSOUTPMGZYOQSU-SFHVURJKSA-N 0 1 299.418 3.810 20 0 CHADMN C[C@@H](F)CCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000505665063 1122458838 /nfs/dbraw/zinc/45/88/38/1122458838.db2.gz TUMIRXVXRPQHTE-SKVAFPRGSA-N 0 1 277.368 3.815 20 0 CHADMN Cc1[nH]ccc1C(=O)Nc1cc(Cl)c(C)c(Cl)c1O ZINC001188159549 1122459286 /nfs/dbraw/zinc/45/92/86/1122459286.db2.gz SKHXNJIDPKAFPA-UHFFFAOYSA-N 0 1 299.157 3.896 20 0 CHADMN CC(C)N(C(=O)c1cc(C2CC2)[nH]n1)[C@@H](C)c1ccccc1 ZINC001188395982 1122463597 /nfs/dbraw/zinc/46/35/97/1122463597.db2.gz ZUYDWKUZZSNUMV-ZDUSSCGKSA-N 0 1 297.402 3.899 20 0 CHADMN C[C@@H](N[C@@H]1CCCN(C)c2ccccc21)c1ccoc1 ZINC000515038837 1122472621 /nfs/dbraw/zinc/47/26/21/1122472621.db2.gz IFLPGLQPOAYHRY-CZUORRHYSA-N 0 1 270.376 3.902 20 0 CHADMN F[C@@H]1CCCN(Cc2cccc(-c3ccccn3)c2)C1 ZINC000515068194 1122475689 /nfs/dbraw/zinc/47/56/89/1122475689.db2.gz NOCOFCQEUOCWIO-MRXNPFEDSA-N 0 1 270.351 3.683 20 0 CHADMN CCCn1cc(-c2nc3ccc(SC)cc3[nH]2)cn1 ZINC000435707997 1122484356 /nfs/dbraw/zinc/48/43/56/1122484356.db2.gz ZTUAMOBUVPXJGF-UHFFFAOYSA-N 0 1 272.377 3.558 20 0 CHADMN O=C1CCC[C@H]2CN(Cc3ccccc3C(F)(F)F)C[C@@H]12 ZINC001203697945 1122489877 /nfs/dbraw/zinc/48/98/77/1122489877.db2.gz LYPNUFLPCUJOTA-WCQYABFASA-N 0 1 297.320 3.506 20 0 CHADMN COc1ccc(-c2nc(CN3CCC4(CC4)CC3)co2)cc1 ZINC000366636353 1122492390 /nfs/dbraw/zinc/49/23/90/1122492390.db2.gz ZLLKJFLTLZRURE-UHFFFAOYSA-N 0 1 298.386 3.726 20 0 CHADMN Cc1nc(CN[C@@H](CC(C)C)c2cccs2)[nH]c1C ZINC000515339841 1122493301 /nfs/dbraw/zinc/49/33/01/1122493301.db2.gz XNSZCCVFUWGSRG-ZDUSSCGKSA-N 0 1 277.437 3.965 20 0 CHADMN Cc1ccccc1[C@H](C(C)C)[N@H+](C)Cc1ncccc1[O-] ZINC000515332076 1122493380 /nfs/dbraw/zinc/49/33/80/1122493380.db2.gz OVCZLRMLDQMCJF-SFHVURJKSA-N 0 1 284.403 3.925 20 0 CHADMN Cc1ccccc1[C@H](C(C)C)[N@@H+](C)Cc1ncccc1[O-] ZINC000515332076 1122493384 /nfs/dbraw/zinc/49/33/84/1122493384.db2.gz OVCZLRMLDQMCJF-SFHVURJKSA-N 0 1 284.403 3.925 20 0 CHADMN COc1ccc(CSCc2[nH]ncc2C)cc1Cl ZINC001189290444 1122495087 /nfs/dbraw/zinc/49/50/87/1122495087.db2.gz UTGJXKGVTYPWGU-UHFFFAOYSA-N 0 1 282.796 3.814 20 0 CHADMN COC1(CCSc2nc3ccc(C)cc3[nH]2)CCC1 ZINC000515436474 1122500326 /nfs/dbraw/zinc/50/03/26/1122500326.db2.gz PCFPRAGUJUZFRU-UHFFFAOYSA-N 0 1 276.405 3.923 20 0 CHADMN CCCc1ccc(C(=O)NCc2[nH]nc3ccccc32)s1 ZINC001189516881 1122503913 /nfs/dbraw/zinc/50/39/13/1122503913.db2.gz SOZBCMBUBBLGIG-UHFFFAOYSA-N 0 1 299.399 3.507 20 0 CHADMN CCc1ccc(C(C)(C)C(=O)NOC2CCCC2)cc1 ZINC000775270202 1122505462 /nfs/dbraw/zinc/50/54/62/1122505462.db2.gz QLPDNHZTYVVUBA-UHFFFAOYSA-N 0 1 275.392 3.517 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)N[C@H](C)C3CC3)n2)cc1F ZINC000505748653 1122507028 /nfs/dbraw/zinc/50/70/28/1122507028.db2.gz ZAOOBVCSVIVILN-MNOVXSKESA-N 0 1 289.354 3.633 20 0 CHADMN C=Cc1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)cc1 ZINC001189695450 1122510244 /nfs/dbraw/zinc/51/02/44/1122510244.db2.gz YHTZRNHWZXIMQR-UHFFFAOYSA-N 0 1 289.338 3.972 20 0 CHADMN CCc1cccc(CC)c1NC([O-])=[NH+]c1ccncc1C ZINC001189738674 1122512674 /nfs/dbraw/zinc/51/26/74/1122512674.db2.gz RPXFFFRAPLXACL-UHFFFAOYSA-N 0 1 283.375 3.581 20 0 CHADMN CC(C)(NC[C@]1(C)CC1(Cl)Cl)c1nccs1 ZINC000828311725 1122516423 /nfs/dbraw/zinc/51/64/23/1122516423.db2.gz XVEOTEIUSWQFAK-JTQLQIEISA-N 0 1 279.236 3.552 20 0 CHADMN Cc1ccc(CN(C[C@H]2CC[C@@H](C3CC3)O2)C2CC2)o1 ZINC001190375907 1122536353 /nfs/dbraw/zinc/53/63/53/1122536353.db2.gz VQRMIHBZQMKGEB-SJORKVTESA-N 0 1 275.392 3.510 20 0 CHADMN CCCN(C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1)C1CC1 ZINC000436319793 1122537462 /nfs/dbraw/zinc/53/74/62/1122537462.db2.gz RDKCFIOLSCBXRK-UHFFFAOYSA-N 0 1 297.402 3.708 20 0 CHADMN OCCC[C@H](NCc1ccc(F)cc1F)c1ccccc1 ZINC000077467067 1122541254 /nfs/dbraw/zinc/54/12/54/1122541254.db2.gz JDVDSAOMNPLVSL-KRWDZBQOSA-N 0 1 291.341 3.568 20 0 CHADMN COc1c(F)cc(F)cc1CN1CC[C@H](C)C[C@H]1C ZINC001143561196 1122541634 /nfs/dbraw/zinc/54/16/34/1122541634.db2.gz MSVNBAXJGBTRQO-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN COc1cc(CN2CCOC3(CCCCC3)C2)ccc1C ZINC000436484607 1122554648 /nfs/dbraw/zinc/55/46/48/1122554648.db2.gz IRBOTRHERYTYFS-UHFFFAOYSA-N 0 1 289.419 3.539 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1NCc1cccc(F)n1 ZINC000775416205 1122557342 /nfs/dbraw/zinc/55/73/42/1122557342.db2.gz WSPADDAOFYHIRO-PXAZEXFGSA-N 0 1 270.351 3.634 20 0 CHADMN Fc1ccc2c(c1)CCC[C@@H]2NCc1cccc(F)n1 ZINC000775414463 1122557373 /nfs/dbraw/zinc/55/73/73/1122557373.db2.gz MKGZCLBMBCQEBW-HNNXBMFYSA-N 0 1 274.314 3.527 20 0 CHADMN CS[C@H]1CCN(Cc2ncc(-c3ccccc3C)o2)C1 ZINC000515988441 1122558740 /nfs/dbraw/zinc/55/87/40/1122558740.db2.gz AZFGNQQMUKOOTG-ZDUSSCGKSA-N 0 1 288.416 3.587 20 0 CHADMN CC1(C)CO[C@H](CN2CCC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC001191039540 1122566564 /nfs/dbraw/zinc/56/65/64/1122566564.db2.gz QPTNKMYZLHNRCU-XJKSGUPXSA-N 0 1 295.373 3.917 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H]2CC23CCCC3)c1 ZINC000436649905 1122567936 /nfs/dbraw/zinc/56/79/36/1122567936.db2.gz XTJAWWQFEHRVGG-LBPRGKRZSA-N 0 1 287.359 3.504 20 0 CHADMN CCN(C(=O)c1c(O)cccc1F)c1cccc(Cl)c1 ZINC000436665312 1122569124 /nfs/dbraw/zinc/56/91/24/1122569124.db2.gz QVQZFFWOQBZBRC-UHFFFAOYSA-N 0 1 293.725 3.851 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)CC2CCCCC2)c1 ZINC000436648090 1122569413 /nfs/dbraw/zinc/56/94/13/1122569413.db2.gz LAWVOXALTDVCIO-UHFFFAOYSA-N 0 1 289.375 3.894 20 0 CHADMN CC[C@H]1CN(Cc2cccc(C(C)C)c2)C[C@H](C)O1 ZINC001191047768 1122571577 /nfs/dbraw/zinc/57/15/77/1122571577.db2.gz IHOFOEWOTGLQCU-YOEHRIQHSA-N 0 1 261.409 3.809 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)c2coc3ccccc23)c1 ZINC000436679079 1122571852 /nfs/dbraw/zinc/57/18/52/1122571852.db2.gz JOXYHNVZWJCLJL-UHFFFAOYSA-N 0 1 295.294 3.593 20 0 CHADMN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000505864039 1122573724 /nfs/dbraw/zinc/57/37/24/1122573724.db2.gz IWCJLLOIXFYBMJ-HZSPNIEDSA-N 0 1 297.402 3.583 20 0 CHADMN CCN(Cc1csc(Cl)n1)[C@@H]1CCOC(C)(C)C1 ZINC000829942631 1122575347 /nfs/dbraw/zinc/57/53/47/1122575347.db2.gz OQLPKBLEHPQEMJ-LLVKDONJSA-N 0 1 288.844 3.576 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1Cc1cnn(-c2ccccc2)n1 ZINC001191133162 1122580132 /nfs/dbraw/zinc/58/01/32/1122580132.db2.gz OAAWDYBFFUIPNS-CRAIPNDOSA-N 0 1 298.434 3.668 20 0 CHADMN c1ccc([C@H]2COCCN2CC2CC3(CCC3)C2)cc1 ZINC001191244926 1122587937 /nfs/dbraw/zinc/58/79/37/1122587937.db2.gz PWBIMEOMGSXRKC-QGZVFWFLSA-N 0 1 271.404 3.640 20 0 CHADMN CCOC(=O)CN1CCC[C@@H]1c1cccc2ccccc21 ZINC000516308180 1122588422 /nfs/dbraw/zinc/58/84/22/1122588422.db2.gz OIXHZVYYNUZDBT-QGZVFWFLSA-N 0 1 283.371 3.540 20 0 CHADMN CCCCC[C@@H]1CCCCN1C(=O)c1ccc2cncn2c1 ZINC000620566603 1129064700 /nfs/dbraw/zinc/06/47/00/1129064700.db2.gz LRICAIIFXVZUNE-MRXNPFEDSA-N 0 1 299.418 3.909 20 0 CHADMN O=C(c1c(O)cccc1F)N1CC2(CCC2)c2ccccc21 ZINC000436891342 1122592554 /nfs/dbraw/zinc/59/25/54/1122592554.db2.gz XEIYBPNTCKXLSS-UHFFFAOYSA-N 0 1 297.329 3.613 20 0 CHADMN COc1ccc(OC)c(CN2Cc3ccccc3[C@H](C)C2)c1 ZINC000763622872 1129065037 /nfs/dbraw/zinc/06/50/37/1129065037.db2.gz HHPSVNXGXSEDAT-CQSZACIVSA-N 0 1 297.398 3.823 20 0 CHADMN CC(C)C1CCC(N(C)C(=O)c2c(O)cccc2F)CC1 ZINC000436947805 1122597580 /nfs/dbraw/zinc/59/75/80/1122597580.db2.gz HSOQNIVFKZQKCE-UHFFFAOYSA-N 0 1 293.382 3.818 20 0 CHADMN CC[C@@H]1CCCN(Cc2c(F)ccc(C)c2F)C1 ZINC001191407832 1122597817 /nfs/dbraw/zinc/59/78/17/1122597817.db2.gz KGNBABJSVSALGS-GFCCVEGCSA-N 0 1 253.336 3.895 20 0 CHADMN CSc1ccc2nc(Cc3ccccc3)[nH]c2c1 ZINC001250424314 1122599128 /nfs/dbraw/zinc/59/91/28/1122599128.db2.gz CVDPZKKDUNHHIO-UHFFFAOYSA-N 0 1 254.358 3.876 20 0 CHADMN C[C@H](NC(=O)c1cccc2nc[nH]c21)c1ccc(Cl)cc1 ZINC000157845876 1122599223 /nfs/dbraw/zinc/59/92/23/1122599223.db2.gz TZDRJYOHCFQACK-JTQLQIEISA-N 0 1 299.761 3.707 20 0 CHADMN CC1CCN(Cc2ccccc2OC(F)F)CC1 ZINC000505911521 1122600189 /nfs/dbraw/zinc/60/01/89/1122600189.db2.gz DCCZZKZKGICOJJ-UHFFFAOYSA-N 0 1 255.308 3.520 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1ccc(F)cc1 ZINC001191476588 1122600882 /nfs/dbraw/zinc/60/08/82/1122600882.db2.gz SANDLEYGTGKSEJ-ZDUSSCGKSA-N 0 1 255.336 3.945 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1c(O)cccc1F ZINC000436992704 1122601045 /nfs/dbraw/zinc/60/10/45/1122601045.db2.gz WONOMNMBPHTDOR-YPMHNXCESA-N 0 1 279.355 3.572 20 0 CHADMN COc1cccc(CN(C)Cc2ccc(C)cc2C)c1OC ZINC001203740272 1122604444 /nfs/dbraw/zinc/60/44/44/1122604444.db2.gz SQNRVDJTNHNGFJ-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN Cc1cnc(CN[C@H](c2ccccc2)C(C)(C)C)cn1 ZINC001191626087 1122606725 /nfs/dbraw/zinc/60/67/25/1122606725.db2.gz FUQPJIQDHNNOCM-MRXNPFEDSA-N 0 1 269.392 3.662 20 0 CHADMN Clc1ccc(/C=C\CN2CCOC3(CCCC3)C2)cc1 ZINC001191558593 1122606921 /nfs/dbraw/zinc/60/69/21/1122606921.db2.gz FXUSFNQXZGNSJU-ARJAWSKDSA-N 0 1 291.822 3.998 20 0 CHADMN Cc1ccc(C)c(CN2CCC(=O)[C@H]3CCCC[C@H]32)c1 ZINC001203741944 1122609104 /nfs/dbraw/zinc/60/91/04/1122609104.db2.gz XDXGTJNSQLDIBB-DLBZAZTESA-N 0 1 271.404 3.637 20 0 CHADMN Cc1ccc(C)c(CN2CCC(=O)[C@@H]3CCCC[C@H]32)c1 ZINC001203741946 1122609402 /nfs/dbraw/zinc/60/94/02/1122609402.db2.gz XDXGTJNSQLDIBB-IAGOWNOFSA-N 0 1 271.404 3.637 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H]1CCc2c1cccc2C ZINC000437088954 1122611591 /nfs/dbraw/zinc/61/15/91/1122611591.db2.gz STVDFQHQPARVNL-SUMWQHHRSA-N 0 1 282.387 3.737 20 0 CHADMN CCOC(=O)CN(Cc1ccc(C)cc1C)C1CCCC1 ZINC001203744847 1122614437 /nfs/dbraw/zinc/61/44/37/1122614437.db2.gz LJYWZYYCFRIZHN-UHFFFAOYSA-N 0 1 289.419 3.611 20 0 CHADMN COc1cc(CN2CCOc3ccccc3[C@@H]2C)ccc1C ZINC001191870409 1122619187 /nfs/dbraw/zinc/61/91/87/1122619187.db2.gz GWNBHPKFAPZHCZ-HNNXBMFYSA-N 0 1 297.398 3.959 20 0 CHADMN CCCC[C@@H](C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000506000667 1122622688 /nfs/dbraw/zinc/62/26/88/1122622688.db2.gz BFIRWEFDDCDMDS-MRVPVSSYSA-N 0 1 273.735 3.950 20 0 CHADMN Cc1ccc(CN(C(C)C)C2CCC2)c(Cl)n1 ZINC000838894409 1122622769 /nfs/dbraw/zinc/62/27/69/1122622769.db2.gz FVNBOCJQAHVOGI-UHFFFAOYSA-N 0 1 252.789 3.806 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cn3ccsc3n2)c2ccccc21 ZINC000289163890 1122623606 /nfs/dbraw/zinc/62/36/06/1122623606.db2.gz HCTPBOWLEHFWJM-IAQYHMDHSA-N 0 1 283.400 3.734 20 0 CHADMN COC/C(C)=C/CN(Cc1ccccc1F)C1CCC1 ZINC001192224956 1122635908 /nfs/dbraw/zinc/63/59/08/1122635908.db2.gz UNGNOWSXZHQZHB-GXDHUFHOSA-N 0 1 277.383 3.773 20 0 CHADMN CCc1ccc(-c2noc(CN(C)[C@H](C)C3(C)CC3)n2)cc1 ZINC000437503735 1122638016 /nfs/dbraw/zinc/63/80/16/1122638016.db2.gz JMEYEXKISWOQBQ-CYBMUJFWSA-N 0 1 299.418 3.919 20 0 CHADMN Fc1ccc2c(c1)CCN(CCSc1ccccc1)C2 ZINC001192325437 1122638433 /nfs/dbraw/zinc/63/84/33/1122638433.db2.gz NMZBQDNQXKFKHQ-UHFFFAOYSA-N 0 1 287.403 3.976 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001192392356 1122644373 /nfs/dbraw/zinc/64/43/73/1122644373.db2.gz XTWSPKHWMJEIHQ-WQAKAFBOSA-N 0 1 271.738 3.988 20 0 CHADMN OC[C@H](NCc1ccc2ccccc2c1)c1cccc(F)c1 ZINC001192460479 1122647917 /nfs/dbraw/zinc/64/79/17/1122647917.db2.gz ABXHFUZIKWWCHV-IBGZPJMESA-N 0 1 295.357 3.802 20 0 CHADMN COC(=O)[C@@H](c1ccccc1C)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001192499199 1122648451 /nfs/dbraw/zinc/64/84/51/1122648451.db2.gz BCJMTXDUNMZRSZ-XJKSGUPXSA-N 0 1 289.419 3.577 20 0 CHADMN COC(=O)[C@@H](c1ccccc1C)N1C[C@@H](C)CC(C)(C)C1 ZINC001192499199 1122648453 /nfs/dbraw/zinc/64/84/53/1122648453.db2.gz BCJMTXDUNMZRSZ-XJKSGUPXSA-N 0 1 289.419 3.577 20 0 CHADMN COC(=O)[C@H](c1ccccc1C)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC001192499195 1122648572 /nfs/dbraw/zinc/64/85/72/1122648572.db2.gz BCJMTXDUNMZRSZ-CJNGLKHVSA-N 0 1 289.419 3.577 20 0 CHADMN COC(=O)[C@H](c1ccccc1C)N1C[C@H](C)CC(C)(C)C1 ZINC001192499195 1122648573 /nfs/dbraw/zinc/64/85/73/1122648573.db2.gz BCJMTXDUNMZRSZ-CJNGLKHVSA-N 0 1 289.419 3.577 20 0 CHADMN Cc1occc1CN(C)Cc1c[nH]nc1-c1ccsc1 ZINC000437696405 1122651079 /nfs/dbraw/zinc/65/10/79/1122651079.db2.gz XYXKZEXSFPWJDD-UHFFFAOYSA-N 0 1 287.388 3.672 20 0 CHADMN CN(Cc1cc(F)c(F)c(F)c1)C[C@H]1CCC2(CCC2)O1 ZINC001192537024 1122652014 /nfs/dbraw/zinc/65/20/14/1122652014.db2.gz QEPVDOXMJWJACM-GFCCVEGCSA-N 0 1 299.336 3.637 20 0 CHADMN CC(=O)CN[C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC001192690540 1122655799 /nfs/dbraw/zinc/65/57/99/1122655799.db2.gz UUXZPAPZLPZLCK-CQSZACIVSA-N 0 1 267.800 3.996 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1cc2c(cccc2F)[nH]1 ZINC000437793775 1122656413 /nfs/dbraw/zinc/65/64/13/1122656413.db2.gz CTIRNCNTPLUKAS-LBPRGKRZSA-N 0 1 283.350 3.895 20 0 CHADMN C[C@@H](CNc1cnccc1-n1cccn1)c1ccc(F)cc1 ZINC000437807154 1122657440 /nfs/dbraw/zinc/65/74/40/1122657440.db2.gz YXXZLMRRFMRFPC-ZDUSSCGKSA-N 0 1 296.349 3.622 20 0 CHADMN O=C(Nc1ccc2c(c1)N=NC2)c1ccc(O)c(F)c1F ZINC001192840926 1122660056 /nfs/dbraw/zinc/66/00/56/1122660056.db2.gz DSMYGEJJBUAJDD-UHFFFAOYSA-N 0 1 289.241 3.520 20 0 CHADMN Clc1ccc2c(c1)CN(C[C@@H]1CC[C@@H](C3CC3)O1)CC2 ZINC001192919713 1122662792 /nfs/dbraw/zinc/66/27/92/1122662792.db2.gz YXRXCPZJNMMJBS-IRXDYDNUSA-N 0 1 291.822 3.656 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1c[nH]c(=O)c2ccccc12 ZINC001193043140 1122668860 /nfs/dbraw/zinc/66/88/60/1122668860.db2.gz FPXZHGSUWGMWBR-CYBMUJFWSA-N 0 1 293.370 3.528 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1ccc([Si](C)(C)C)cc1 ZINC001193042750 1122669239 /nfs/dbraw/zinc/66/92/39/1122669239.db2.gz DHIVORIBSXCDSA-HNNXBMFYSA-N 0 1 298.506 3.820 20 0 CHADMN C[C@H](NCCCCCOc1ccccc1)c1ccon1 ZINC000437980091 1122669599 /nfs/dbraw/zinc/66/95/99/1122669599.db2.gz SLXBGUFHNWSDST-AWEZNQCLSA-N 0 1 274.364 3.575 20 0 CHADMN CCC(CC)n1ccc(CN(C)CC(C)(C)C)n1 ZINC000438059107 1122673656 /nfs/dbraw/zinc/67/36/56/1122673656.db2.gz DQBHBIDZHZFAOW-UHFFFAOYSA-N 0 1 251.418 3.722 20 0 CHADMN C[C@@H]1[C@H](C)SCCN1Cc1cc2c(cccc2F)[nH]1 ZINC000438092444 1122675147 /nfs/dbraw/zinc/67/51/47/1122675147.db2.gz GNBOIZYOXGDBCB-MNOVXSKESA-N 0 1 278.396 3.633 20 0 CHADMN CCCC[C@H](N[C@@H](CC(C)C)C(=O)OC)C1CCC1 ZINC001193238143 1122681986 /nfs/dbraw/zinc/68/19/86/1122681986.db2.gz GQLBMOHMVVSRKO-GJZGRUSLSA-N 0 1 269.429 3.523 20 0 CHADMN CC(C)Oc1c(F)c(F)c(Nc2ncco2)c(F)c1F ZINC001193291723 1122683189 /nfs/dbraw/zinc/68/31/89/1122683189.db2.gz PFHAVZXWHRPGMK-UHFFFAOYSA-N 0 1 290.216 3.762 20 0 CHADMN CCc1ccc(CCOc2ccccc2-c2nnc[nH]2)cc1 ZINC000438303082 1122689978 /nfs/dbraw/zinc/68/99/78/1122689978.db2.gz JNCUNSYSOJOJJQ-UHFFFAOYSA-N 0 1 293.370 3.656 20 0 CHADMN C[S@](=O)c1ccc(CN2CCCC3(CCCC3)C2)cc1 ZINC000438348751 1122693310 /nfs/dbraw/zinc/69/33/10/1122693310.db2.gz LZBGWQINNZTLRF-FQEVSTJZSA-N 0 1 291.460 3.580 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3ccncc3)c2)[C@H](C)[C@@H](C)O1 ZINC000438359197 1122693584 /nfs/dbraw/zinc/69/35/84/1122693584.db2.gz PMMTWYPKRNNEKZ-BZUAXINKSA-N 0 1 296.414 3.746 20 0 CHADMN CC(C)CCc1noc(CN[C@H]2CCC(C)(C)C[C@@H]2C)n1 ZINC001193664773 1122708668 /nfs/dbraw/zinc/70/86/68/1122708668.db2.gz ZUKQXOJVVWFAQS-KBPBESRZSA-N 0 1 293.455 3.963 20 0 CHADMN COC(=O)c1ccccc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000506285166 1122711492 /nfs/dbraw/zinc/71/14/92/1122711492.db2.gz ZARHJVYWJKDEIH-SFHVURJKSA-N 0 1 295.382 3.810 20 0 CHADMN COC(=O)c1ccccc1CN1CCC[C@H]1c1ccccc1 ZINC000506285166 1122711494 /nfs/dbraw/zinc/71/14/94/1122711494.db2.gz ZARHJVYWJKDEIH-SFHVURJKSA-N 0 1 295.382 3.810 20 0 CHADMN CCC(CC)n1ccc(CN2CCC[C@H]2CSC)n1 ZINC000438607789 1122714840 /nfs/dbraw/zinc/71/48/40/1122714840.db2.gz OERLCVILSCVBOZ-HNNXBMFYSA-N 0 1 281.469 3.572 20 0 CHADMN C[C@H]1CCc2nc(CN(C)C3CCCC3)sc2C1 ZINC000506309697 1122716980 /nfs/dbraw/zinc/71/69/80/1122716980.db2.gz OCNZILRKFPGNHG-NSHDSACASA-N 0 1 264.438 3.642 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2cc(Cl)cs2)C[C@H]1O ZINC000426166095 1122725300 /nfs/dbraw/zinc/72/53/00/1122725300.db2.gz BWNVWNGLJIDGGP-QWHCGFSZSA-N 0 1 287.856 3.630 20 0 CHADMN CC/C=C\CC[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC001194019759 1122739359 /nfs/dbraw/zinc/73/93/59/1122739359.db2.gz DDIQSARSWYTYQI-XVWMLYKFSA-N 0 1 276.399 3.693 20 0 CHADMN Fc1cccc(CN2CCOC[C@H]2C2CCCCC2)c1 ZINC001203787731 1122740856 /nfs/dbraw/zinc/74/08/56/1122740856.db2.gz BNHYOBXMJURRMQ-KRWDZBQOSA-N 0 1 277.383 3.607 20 0 CHADMN Cc1ccccc1[C@@H](N[C@@H](C)c1cn(C)cn1)C1CC1 ZINC000925043229 1122741186 /nfs/dbraw/zinc/74/11/86/1122741186.db2.gz BYGSJSNSMMQTOO-GUYCJALGSA-N 0 1 269.392 3.530 20 0 CHADMN O=C(Nc1cc(F)c(O)cc1F)Oc1ccc(Cl)cc1 ZINC001194061167 1122744022 /nfs/dbraw/zinc/74/40/22/1122744022.db2.gz FTMCRKSZQGRVMW-UHFFFAOYSA-N 0 1 299.660 3.935 20 0 CHADMN CCc1onc(C)c1CN1Cc2ccccc2C2(CCC2)C1 ZINC001194240550 1122761152 /nfs/dbraw/zinc/76/11/52/1122761152.db2.gz LNLFBQKIWFKAOW-UHFFFAOYSA-N 0 1 296.414 3.983 20 0 CHADMN Cc1nnsc1CN[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000426323410 1122763679 /nfs/dbraw/zinc/76/36/79/1122763679.db2.gz MZEXPZHNJHOXFG-HNNXBMFYSA-N 0 1 291.395 3.535 20 0 CHADMN Clc1ccccc1CCN1CCOCC12CCCCC2 ZINC001194376723 1122767793 /nfs/dbraw/zinc/76/77/93/1122767793.db2.gz LXBHHFOISBMBCJ-UHFFFAOYSA-N 0 1 293.838 3.918 20 0 CHADMN c1ccc2c(c1)CCC[C@H]2N(Cc1cnccn1)C1CC1 ZINC000518714553 1122779807 /nfs/dbraw/zinc/77/98/07/1122779807.db2.gz UFKIJQICTOZRIP-GOSISDBHSA-N 0 1 279.387 3.519 20 0 CHADMN C[C@H]1CCc2nc(CN3CCS[C@@H](C)CC3)sc2C1 ZINC000426383219 1122780469 /nfs/dbraw/zinc/78/04/69/1122780469.db2.gz AFBXPKTVIFKRBZ-RYUDHWBXSA-N 0 1 296.505 3.595 20 0 CHADMN COCc1ccc(CN(C)C/C(C)=C/c2ccccc2)o1 ZINC000426391622 1122781171 /nfs/dbraw/zinc/78/11/71/1122781171.db2.gz RSENVBQRBFIPIR-RVDMUPIBSA-N 0 1 285.387 3.961 20 0 CHADMN COCc1ccc(CN(C)C/C(C)=C\c2ccccc2)o1 ZINC000426391621 1122781459 /nfs/dbraw/zinc/78/14/59/1122781459.db2.gz RSENVBQRBFIPIR-PTNGSMBKSA-N 0 1 285.387 3.961 20 0 CHADMN CSCCCN(C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000439478816 1122783475 /nfs/dbraw/zinc/78/34/75/1122783475.db2.gz OFTDVAWVBDIDDV-JTQLQIEISA-N 0 1 297.449 3.544 20 0 CHADMN Cc1ccoc1CN(C)C[C@@H]1CC2(CO1)CCCCC2 ZINC001194626050 1122786588 /nfs/dbraw/zinc/78/65/88/1122786588.db2.gz NFXSECZRIVTBMH-HNNXBMFYSA-N 0 1 277.408 3.759 20 0 CHADMN CCCc1csc(CN2C[C@H](C)CC[C@@H]2C)n1 ZINC000426423546 1122791658 /nfs/dbraw/zinc/79/16/58/1122791658.db2.gz YQXZHMCIWKECJC-NEPJUHHUSA-N 0 1 252.427 3.716 20 0 CHADMN CC(C)(C)c1nc(CN2CC[C@@H]3CCC[C@@H]32)cs1 ZINC000426458984 1122797031 /nfs/dbraw/zinc/79/70/31/1122797031.db2.gz KTNCTFGUQIJOTA-AAEUAGOBSA-N 0 1 264.438 3.815 20 0 CHADMN c1csc(-c2nc(CN3CC[C@H]4CCC[C@@H]43)co2)c1 ZINC000426461428 1122798744 /nfs/dbraw/zinc/79/87/44/1122798744.db2.gz PDQDINZNMPZSQT-YPMHNXCESA-N 0 1 274.389 3.778 20 0 CHADMN CCOC[C@@H]1CCCCN1Cc1ccc(F)cc1Cl ZINC001195028140 1122832940 /nfs/dbraw/zinc/83/29/40/1122832940.db2.gz DGVCEUNAXAOXJU-AWEZNQCLSA-N 0 1 285.790 3.870 20 0 CHADMN S=c1ncccn1CN(Cc1ccccc1)CC1CCC1 ZINC000193471252 1129081568 /nfs/dbraw/zinc/08/15/68/1129081568.db2.gz WQOXHVZQIHTMRH-UHFFFAOYSA-N 0 1 299.443 3.872 20 0 CHADMN CCC[C@@H](C)N(C)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000473637409 1122854458 /nfs/dbraw/zinc/85/44/58/1122854458.db2.gz JXKFNLGWRKEQEG-CQSZACIVSA-N 0 1 299.418 3.954 20 0 CHADMN Cc1ccccc1NS(=O)(=O)c1c(C)cccc1Cl ZINC001195267567 1122858840 /nfs/dbraw/zinc/85/88/40/1122858840.db2.gz GFLNJIVELZYXHZ-UHFFFAOYSA-N 0 1 295.791 3.758 20 0 CHADMN CC(C)Oc1ccc2ccccc2c1CNCc1cnc[nH]1 ZINC000894474660 1122860154 /nfs/dbraw/zinc/86/01/54/1122860154.db2.gz WQRLDIZVBBRUJA-UHFFFAOYSA-N 0 1 295.386 3.640 20 0 CHADMN CCCC[N@@H+](CC)CC(=O)Nc1ccc(C)cc1Cl ZINC000302833746 1122860898 /nfs/dbraw/zinc/86/08/98/1122860898.db2.gz QFLWQIWGVMMDNJ-UHFFFAOYSA-N 0 1 282.815 3.709 20 0 CHADMN CCCCN(CC)CC(=O)Nc1ccc(C)cc1Cl ZINC000302833746 1122860900 /nfs/dbraw/zinc/86/09/00/1122860900.db2.gz QFLWQIWGVMMDNJ-UHFFFAOYSA-N 0 1 282.815 3.709 20 0 CHADMN CCOc1cc(F)c(CN2CC[C@H]3CCC[C@@H]3C2)c(F)c1 ZINC001143568926 1122861868 /nfs/dbraw/zinc/86/18/68/1122861868.db2.gz PLSJCUZYPYSXBJ-CHWSQXEVSA-N 0 1 295.373 3.986 20 0 CHADMN CCOc1cc(F)c(CN2CC[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC001143568928 1122862466 /nfs/dbraw/zinc/86/24/66/1122862466.db2.gz PLSJCUZYPYSXBJ-QWHCGFSZSA-N 0 1 295.373 3.986 20 0 CHADMN C[C@H]1Cc2cc(CN(Cc3ccccn3)C3CC3)ccc2O1 ZINC000894490253 1122862928 /nfs/dbraw/zinc/86/29/28/1122862928.db2.gz NGJDPDDJHMSKMN-AWEZNQCLSA-N 0 1 294.398 3.570 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1nc(C(C)(C)C)co1 ZINC000894498025 1122863416 /nfs/dbraw/zinc/86/34/16/1122863416.db2.gz CXKRXEIZRZYSHE-RYUDHWBXSA-N 0 1 250.386 3.735 20 0 CHADMN CCNC(=S)Nc1ccccc1SC(C)(C)C ZINC001195348286 1122864535 /nfs/dbraw/zinc/86/45/35/1122864535.db2.gz ZPHKVZMMIDNRLR-UHFFFAOYSA-N 0 1 268.451 3.884 20 0 CHADMN CN(Cc1nc(C(C)(C)C)co1)C1CCC(F)(F)CC1 ZINC000894517746 1122867353 /nfs/dbraw/zinc/86/73/53/1122867353.db2.gz QAOUPSARODAWBQ-UHFFFAOYSA-N 0 1 286.366 3.982 20 0 CHADMN Clc1ccc(OCC2CCC2)c(NCc2cnc[nH]2)c1 ZINC000894533603 1122869133 /nfs/dbraw/zinc/86/91/33/1122869133.db2.gz UIOANTVHSGMPLH-UHFFFAOYSA-N 0 1 291.782 3.854 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCC1CCC1 ZINC000783443962 1122870222 /nfs/dbraw/zinc/87/02/22/1122870222.db2.gz IMFPOGNOMOJKIC-UHFFFAOYSA-N 0 1 284.359 3.732 20 0 CHADMN C[C@H](c1cn(-c2ccccc2)nn1)N(C)CCC(C)(C)C ZINC001195497021 1122872966 /nfs/dbraw/zinc/87/29/66/1122872966.db2.gz FHBQPJWIWJNCOS-CQSZACIVSA-N 0 1 286.423 3.696 20 0 CHADMN C[C@H]1CCCN(Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000041362707 1122873032 /nfs/dbraw/zinc/87/30/32/1122873032.db2.gz RUDKDGDQYVMPAN-LBPRGKRZSA-N 0 1 274.339 3.713 20 0 CHADMN C=Cc1ccc(CCNCc2nnc(C(C)C)s2)cc1 ZINC000894563952 1122875573 /nfs/dbraw/zinc/87/55/73/1122875573.db2.gz CFAVDCFGQOOFGY-UHFFFAOYSA-N 0 1 287.432 3.637 20 0 CHADMN C[C@H]1CN(CCc2cccc(F)c2)CC2(CCCCC2)O1 ZINC001195651152 1122880583 /nfs/dbraw/zinc/88/05/83/1122880583.db2.gz VAXJUAVZWCGUFN-HNNXBMFYSA-N 0 1 291.410 3.792 20 0 CHADMN COCc1cnc(CN(C)C2CCCCCCC2)s1 ZINC000775668492 1122882868 /nfs/dbraw/zinc/88/28/68/1122882868.db2.gz BQVCCZJKSSFNRR-UHFFFAOYSA-N 0 1 282.453 3.834 20 0 CHADMN COc1ccc(CN[C@H]2CCCc3c(F)cccc32)o1 ZINC000894658390 1122885590 /nfs/dbraw/zinc/88/55/90/1122885590.db2.gz GDDGGAALDSEOPK-HNNXBMFYSA-N 0 1 275.323 3.595 20 0 CHADMN CCc1cccc(CNCc2cc(F)ccc2OC)c1 ZINC000578777450 1122886638 /nfs/dbraw/zinc/88/66/38/1122886638.db2.gz JUCRYKZGFFZWJO-UHFFFAOYSA-N 0 1 273.351 3.687 20 0 CHADMN Oc1cc(F)cc(F)c1NC(=S)Nc1ccccc1F ZINC001195773583 1122886944 /nfs/dbraw/zinc/88/69/44/1122886944.db2.gz WGEOYLPPRXPBFO-UHFFFAOYSA-N 0 1 298.289 3.618 20 0 CHADMN C[C@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CC2(CCCC2)O1 ZINC001195799030 1122889520 /nfs/dbraw/zinc/88/95/20/1122889520.db2.gz SCWCROVQTSEPIF-SUMWQHHRSA-N 0 1 289.394 3.847 20 0 CHADMN C[C@H]1CN([C@@H]2CCc3ccc(F)cc32)CC2(CCCC2)O1 ZINC001195799030 1122889528 /nfs/dbraw/zinc/88/95/28/1122889528.db2.gz SCWCROVQTSEPIF-SUMWQHHRSA-N 0 1 289.394 3.847 20 0 CHADMN Nc1nc2ccccc2n1C1=CC[C@H](C(F)(F)F)CC1 ZINC001195833357 1122892043 /nfs/dbraw/zinc/89/20/43/1122892043.db2.gz DDWQSYZNIUQBQO-VIFPVBQESA-N 0 1 281.281 3.822 20 0 CHADMN CSc1nccc(N=C2CCC(C(F)(F)F)CC2)n1 ZINC001195835691 1122893538 /nfs/dbraw/zinc/89/35/38/1122893538.db2.gz RGSRIQYFUNNIDI-QMMMGPOBSA-N 0 1 289.326 3.857 20 0 CHADMN c1csc(-c2ccc3[nH]c(-c4csnn4)nc3c2)c1 ZINC001250925225 1122895687 /nfs/dbraw/zinc/89/56/87/1122895687.db2.gz XPYYEYALBOIYHN-UHFFFAOYSA-N 0 1 284.369 3.810 20 0 CHADMN CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)o1 ZINC000894708743 1122897293 /nfs/dbraw/zinc/89/72/93/1122897293.db2.gz XKFMXFHFVMTZAM-MNOVXSKESA-N 0 1 291.313 3.841 20 0 CHADMN CCOc1ccc(CN2CC[C@H](C(F)(F)F)C[C@H]2C)o1 ZINC000894708743 1122897296 /nfs/dbraw/zinc/89/72/96/1122897296.db2.gz XKFMXFHFVMTZAM-MNOVXSKESA-N 0 1 291.313 3.841 20 0 CHADMN c1cncc(CN(Cc2cccc3c2NCCC3)C2CC2)c1 ZINC000894779669 1122905045 /nfs/dbraw/zinc/90/50/45/1122905045.db2.gz LKJHPIMBDYHRNW-UHFFFAOYSA-N 0 1 293.414 3.604 20 0 CHADMN C[C@@H]1CCCC[C@H]1Sc1nc(-c2ccccc2O)n[nH]1 ZINC000629111580 1122905086 /nfs/dbraw/zinc/90/50/86/1122905086.db2.gz KELXACSNIHFLOP-ZWNOBZJWSA-N 0 1 289.404 3.848 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@@H]1NCc1cccc2c1NCCC2 ZINC000894785919 1122906330 /nfs/dbraw/zinc/90/63/30/1122906330.db2.gz AGHOHDFKALCGKI-SCLBCKFNSA-N 0 1 294.398 3.657 20 0 CHADMN CCCC[C@H](CC)CC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000506918013 1122912192 /nfs/dbraw/zinc/91/21/92/1122912192.db2.gz QIGPCIRAOBWPAT-VIFPVBQESA-N 0 1 291.317 3.974 20 0 CHADMN CC(C)C1(C)CCN(Cc2ncc(C3CC3)o2)CC1 ZINC000426778100 1122914646 /nfs/dbraw/zinc/91/46/46/1122914646.db2.gz ULRYPVPFWSJESS-UHFFFAOYSA-N 0 1 262.397 3.810 20 0 CHADMN CCC[C@H](C)N(C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000506994693 1122917597 /nfs/dbraw/zinc/91/75/97/1122917597.db2.gz LJIUVLMARUFMMQ-NEPJUHHUSA-N 0 1 266.454 3.888 20 0 CHADMN CCN(Cc1ccc(Cl)o1)Cc1ccc(OC)cc1 ZINC000507027456 1122920023 /nfs/dbraw/zinc/92/00/23/1122920023.db2.gz UMBNVQLFFRNTJA-UHFFFAOYSA-N 0 1 279.767 3.964 20 0 CHADMN CCC(CC)CCC[N@@H+](C)Cc1cc(OC)ns1 ZINC001196518638 1122924898 /nfs/dbraw/zinc/92/48/98/1122924898.db2.gz OSWWWHZTIUZQPO-UHFFFAOYSA-N 0 1 270.442 3.800 20 0 CHADMN CCC(CC)CCCN(C)Cc1cc(OC)ns1 ZINC001196518638 1122924899 /nfs/dbraw/zinc/92/48/99/1122924899.db2.gz OSWWWHZTIUZQPO-UHFFFAOYSA-N 0 1 270.442 3.800 20 0 CHADMN Cc1ccc(CN(Cc2cccc(F)c2)C(C)C)nc1 ZINC000507115922 1122925123 /nfs/dbraw/zinc/92/51/23/1122925123.db2.gz MVALZKYLIGSPCZ-UHFFFAOYSA-N 0 1 272.367 3.940 20 0 CHADMN COc1ccc2c(c1)C[C@H](C[N@H+]1Cc3ccccc3[C@@H]1C)O2 ZINC001196499108 1122925156 /nfs/dbraw/zinc/92/51/56/1122925156.db2.gz VRZHTBGLNSAMOL-SUMWQHHRSA-N 0 1 295.382 3.576 20 0 CHADMN COc1ccc2c(c1)C[C@H](CN1Cc3ccccc3[C@@H]1C)O2 ZINC001196499108 1122925161 /nfs/dbraw/zinc/92/51/61/1122925161.db2.gz VRZHTBGLNSAMOL-SUMWQHHRSA-N 0 1 295.382 3.576 20 0 CHADMN C/C=C/C[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC001196612255 1122927735 /nfs/dbraw/zinc/92/77/35/1122927735.db2.gz BRDZSPVGQMNGLQ-HSWBROFVSA-N 0 1 269.392 3.741 20 0 CHADMN CCO[C@@H](CNC1(c2c(F)cccc2F)CCC1)C1CC1 ZINC001196667802 1122930302 /nfs/dbraw/zinc/93/03/02/1122930302.db2.gz YENLUOPMNJEXBT-HNNXBMFYSA-N 0 1 295.373 3.749 20 0 CHADMN COCc1ccc(-c2nc3ccc(SC)cc3[nH]2)o1 ZINC001251034325 1122930937 /nfs/dbraw/zinc/93/09/37/1122930937.db2.gz IYPXQPQXMKHPNB-UHFFFAOYSA-N 0 1 274.345 3.691 20 0 CHADMN Cc1cccc([C@H]2CCC[N@H+]2Cc2nc(C)ccc2O)c1 ZINC000507136321 1122931015 /nfs/dbraw/zinc/93/10/15/1122931015.db2.gz YRRFCZNKUZDWNA-QGZVFWFLSA-N 0 1 282.387 3.741 20 0 CHADMN FC(F)(F)[C@H]1CC=C(Nc2ccc3nccn3c2)CC1 ZINC001196767851 1122932226 /nfs/dbraw/zinc/93/22/26/1122932226.db2.gz OQRFNCLCPZNVOR-JTQLQIEISA-N 0 1 281.281 3.993 20 0 CHADMN CC[C@@H](C)CN(C)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000427004178 1122933871 /nfs/dbraw/zinc/93/38/71/1122933871.db2.gz FLXFSALHWGMUMQ-GFCCVEGCSA-N 0 1 299.418 3.812 20 0 CHADMN CC(C)[N@@H+](Cc1cnc2ccccn12)Cc1ccc(F)cc1 ZINC000507189228 1122937744 /nfs/dbraw/zinc/93/77/44/1122937744.db2.gz UZWUCTNQLMOHCP-UHFFFAOYSA-N 0 1 297.377 3.884 20 0 CHADMN CC(C)N(Cc1cnc2ccccn12)Cc1ccc(F)cc1 ZINC000507189228 1122937746 /nfs/dbraw/zinc/93/77/46/1122937746.db2.gz UZWUCTNQLMOHCP-UHFFFAOYSA-N 0 1 297.377 3.884 20 0 CHADMN CC(C)[C@H](C)[N@@H+](C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000507189692 1122937935 /nfs/dbraw/zinc/93/79/35/1122937935.db2.gz WHABJPOPYGCYFY-RYUDHWBXSA-N 0 1 266.454 3.744 20 0 CHADMN CC(C)[C@@H](C)[N@@H+](C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000507189690 1122938115 /nfs/dbraw/zinc/93/81/15/1122938115.db2.gz WHABJPOPYGCYFY-NWDGAFQWSA-N 0 1 266.454 3.744 20 0 CHADMN c1ncn2ccc(-c3noc(C4CCC5(CC5)CC4)n3)cc12 ZINC000664863376 1122943777 /nfs/dbraw/zinc/94/37/77/1122943777.db2.gz VGDVGKSQTRELPQ-UHFFFAOYSA-N 0 1 294.358 3.822 20 0 CHADMN C[C@H](NCc1ccc(Cl)nc1)c1cc2cnccc2o1 ZINC001197231400 1122949220 /nfs/dbraw/zinc/94/92/20/1122949220.db2.gz XILUXLCXIJMVPA-JTQLQIEISA-N 0 1 287.750 3.727 20 0 CHADMN C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000507444142 1122954948 /nfs/dbraw/zinc/95/49/48/1122954948.db2.gz VYMADPGHXSTZET-BUXKBTBVSA-N 0 1 293.457 3.679 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000507444142 1122954950 /nfs/dbraw/zinc/95/49/50/1122954950.db2.gz VYMADPGHXSTZET-BUXKBTBVSA-N 0 1 293.457 3.679 20 0 CHADMN C[C@@H](c1cccc(F)c1)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664869336 1122955617 /nfs/dbraw/zinc/95/56/17/1122955617.db2.gz TUWCXYOVYMPWHB-LBPRGKRZSA-N 0 1 287.382 3.694 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccc(F)cc1 ZINC000507471451 1122957617 /nfs/dbraw/zinc/95/76/17/1122957617.db2.gz PEUFXMANNWZKIR-GFCCVEGCSA-N 0 1 258.340 3.634 20 0 CHADMN CC(C)(C)C1CN(Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894843714 1122958431 /nfs/dbraw/zinc/95/84/31/1122958431.db2.gz PQDDNPQNFBDJHK-UHFFFAOYSA-N 0 1 292.370 3.726 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1cccc(C)c1 ZINC000507487913 1122960592 /nfs/dbraw/zinc/96/05/92/1122960592.db2.gz SGYMGEZNYOSQNA-AWEZNQCLSA-N 0 1 254.377 3.803 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccccc1C ZINC000507506148 1122961624 /nfs/dbraw/zinc/96/16/24/1122961624.db2.gz GMSOFGNQVOGLMR-AWEZNQCLSA-N 0 1 254.377 3.803 20 0 CHADMN Oc1cc(F)cc(F)c1NC(=S)Nc1cccc(F)c1 ZINC001197638628 1122965811 /nfs/dbraw/zinc/96/58/11/1122965811.db2.gz SOZFSTRDRMTRIQ-UHFFFAOYSA-N 0 1 298.289 3.618 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)N1CCC(C(F)F)CC1 ZINC000334198533 1122969612 /nfs/dbraw/zinc/96/96/12/1122969612.db2.gz MAWYEGWYKGERLF-JTQLQIEISA-N 0 1 280.318 3.866 20 0 CHADMN CCC[C@H](C[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000519613513 1122977869 /nfs/dbraw/zinc/97/78/69/1122977869.db2.gz XCRNWFSETQZFSO-DJIMGWMZSA-N 0 1 289.419 3.613 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1ccncc1F ZINC000334276235 1122980264 /nfs/dbraw/zinc/98/02/64/1122980264.db2.gz RUUXVIWIMUJLHD-QLJPJBMISA-N 0 1 274.314 3.698 20 0 CHADMN c1cc(CN(C[C@@H]2CCC3(CCCC3)O2)C2CC2)co1 ZINC001198146475 1122982661 /nfs/dbraw/zinc/98/26/61/1122982661.db2.gz AVIRYWBFAQKZAH-INIZCTEOSA-N 0 1 275.392 3.736 20 0 CHADMN CC(C)c1cnc(CN(C)[C@H](C)Cc2cccs2)o1 ZINC000081573246 1122984939 /nfs/dbraw/zinc/98/49/39/1122984939.db2.gz WSVVYSWAEIDMLZ-GFCCVEGCSA-N 0 1 278.421 3.923 20 0 CHADMN C[C@@H](N[C@H]1CCCOc2c(Cl)cccc21)c1cn[nH]c1 ZINC000334326342 1122987799 /nfs/dbraw/zinc/98/77/99/1122987799.db2.gz LEWNQTKBZBJNBG-YGRLFVJLSA-N 0 1 291.782 3.628 20 0 CHADMN Cc1cn(C)nc1CN1CCC(c2cc(C)ccc2C)CC1 ZINC001198466630 1122993065 /nfs/dbraw/zinc/99/30/65/1122993065.db2.gz BNOCRIWMKJCRJA-UHFFFAOYSA-N 0 1 297.446 3.725 20 0 CHADMN C[C@@H]1CN(Cc2c[nH]nc2-c2ccsc2)CCC1(F)F ZINC000334386341 1123003017 /nfs/dbraw/zinc/00/30/17/1123003017.db2.gz NPGXMSCBKWGVPU-SNVBAGLBSA-N 0 1 297.374 3.615 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2C(F)(F)F)[C@H](C)CCO1 ZINC001198761194 1123010209 /nfs/dbraw/zinc/01/02/09/1123010209.db2.gz FGIKQCYFZRIRGC-VXGBXAGGSA-N 0 1 287.325 3.705 20 0 CHADMN Clc1ccc(CN2CC[C@H](Oc3ccccc3)C2)cc1 ZINC001203921613 1123016008 /nfs/dbraw/zinc/01/60/08/1123016008.db2.gz WAKJTXSSWLXGEK-KRWDZBQOSA-N 0 1 287.790 3.993 20 0 CHADMN Fc1ccccc1-c1ncc(CNCc2cccnc2)s1 ZINC001198967685 1123017717 /nfs/dbraw/zinc/01/77/17/1123017717.db2.gz BITYDHBSYFECSA-UHFFFAOYSA-N 0 1 299.374 3.634 20 0 CHADMN COc1ccc(CN2CC=C(c3ccc(C)cc3)CC2)nc1 ZINC000775935670 1123020696 /nfs/dbraw/zinc/02/06/96/1123020696.db2.gz ZFQWWJIOAXKURE-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN Clc1nccc2cc(CN3CC[C@@H]3C3CC3)sc21 ZINC000894883529 1123021190 /nfs/dbraw/zinc/02/11/90/1123021190.db2.gz ZGIYXFZTQJJDQZ-GFCCVEGCSA-N 0 1 278.808 3.934 20 0 CHADMN CCN(Cc1n[nH]c(C2CC2)n1)c1ccc(Cl)c(F)c1 ZINC000440628308 1123022907 /nfs/dbraw/zinc/02/29/07/1123022907.db2.gz JWAJMOQLJLAXKT-UHFFFAOYSA-N 0 1 294.761 3.501 20 0 CHADMN CC[C@H](F)CN(C)Cc1cccc(OC(C)C)c1 ZINC000440768029 1123036437 /nfs/dbraw/zinc/03/64/37/1123036437.db2.gz ARAUXRAPCKWNFF-AWEZNQCLSA-N 0 1 253.361 3.654 20 0 CHADMN CC[C@H](F)CN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000440781772 1123038845 /nfs/dbraw/zinc/03/88/45/1123038845.db2.gz IVYISBHKZGXQNY-NEPJUHHUSA-N 0 1 294.345 3.894 20 0 CHADMN CCOc1ccc(CNCc2cc3cccnc3o2)cc1 ZINC001199751140 1123039241 /nfs/dbraw/zinc/03/92/41/1123039241.db2.gz LDIFRBHALZSUAM-UHFFFAOYSA-N 0 1 282.343 3.516 20 0 CHADMN CCCCC[C@@H](NCc1nc(CC)no1)C(C)(C)C ZINC000776023080 1123039668 /nfs/dbraw/zinc/03/96/68/1123039668.db2.gz JYTXMGRZPLVFKK-GFCCVEGCSA-N 0 1 267.417 3.717 20 0 CHADMN CCCOc1ncccc1CNC/C=C\c1ccccc1 ZINC001199769984 1123040161 /nfs/dbraw/zinc/04/01/61/1123040161.db2.gz SIDSMEHCDPFIMC-POHAHGRESA-N 0 1 282.387 3.673 20 0 CHADMN COc1cc(CNCc2cc(C)ccc2F)ccc1C ZINC001199783748 1123041048 /nfs/dbraw/zinc/04/10/48/1123041048.db2.gz IMWNRGOBVJTYBU-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN CCOc1ccc(CN2CC(C)(C)O[C@@H]3CCC[C@H]32)cc1 ZINC000440961660 1123049188 /nfs/dbraw/zinc/04/91/88/1123049188.db2.gz NSHVBJKGJXYGFB-IAGOWNOFSA-N 0 1 289.419 3.617 20 0 CHADMN CC1(C)CN(CCc2ccc(F)c(F)c2)[C@@H]2CCC[C@H]2O1 ZINC000440964543 1123049681 /nfs/dbraw/zinc/04/96/81/1123049681.db2.gz PQVFAZDKFBYTGV-HZPDHXFCSA-N 0 1 295.373 3.539 20 0 CHADMN CC(C)n1ncc2cc(CN(C)[C@H](C)c3ccco3)cnc21 ZINC000155011276 1129095761 /nfs/dbraw/zinc/09/57/61/1129095761.db2.gz HFYUWUOVGNBRQJ-CYBMUJFWSA-N 0 1 298.390 3.798 20 0 CHADMN Cc1cc(F)cc(CN2CCN(C)C[C@H]2c2ccccc2)c1 ZINC001143580294 1123052650 /nfs/dbraw/zinc/05/26/50/1123052650.db2.gz DFJQOMIXLLISNV-IBGZPJMESA-N 0 1 298.405 3.623 20 0 CHADMN Cc1ccc2[nH]c(C(=O)Nc3ccc4nc[nH]c4c3)cc2c1 ZINC000520107887 1123053531 /nfs/dbraw/zinc/05/35/31/1123053531.db2.gz QTXIQWOPBRGMBT-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN CSC[C@@H](C)N[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000925096490 1123055398 /nfs/dbraw/zinc/05/53/98/1123055398.db2.gz OBAZXUDENHURRU-RHSMWYFYSA-N 0 1 286.444 3.821 20 0 CHADMN CCCCN(CC)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000441256931 1123072729 /nfs/dbraw/zinc/07/27/29/1123072729.db2.gz BCOIYBDVUJFVHS-UHFFFAOYSA-N 0 1 275.371 3.633 20 0 CHADMN CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000112670918 1123093484 /nfs/dbraw/zinc/09/34/84/1123093484.db2.gz XEGLRBSMPRVMKY-OCCSQVGLSA-N 0 1 285.391 3.508 20 0 CHADMN Oc1ccc(CN2CCC[C@@H](CC(F)(F)F)C2)cc1F ZINC000894974350 1123095801 /nfs/dbraw/zinc/09/58/01/1123095801.db2.gz FYDYXWCKVHCRFR-NSHDSACASA-N 0 1 291.288 3.696 20 0 CHADMN CC1(CC(F)(F)F)CN(Cc2cccc3c2CCOC3)C1 ZINC000894980436 1123097337 /nfs/dbraw/zinc/09/73/37/1123097337.db2.gz PISQKKNCAPLPLV-UHFFFAOYSA-N 0 1 299.336 3.534 20 0 CHADMN Br/C(=C\c1ccccc1)CN1C[C@H]2CC[C@@H]1C2 ZINC001201459986 1123103173 /nfs/dbraw/zinc/10/31/73/1123103173.db2.gz LPUDQUIGEQGQLF-DDWFUKRFSA-N 0 1 292.220 3.907 20 0 CHADMN CSc1ccc(CN2CCC(OC3CCC3)CC2)o1 ZINC000895024785 1123104339 /nfs/dbraw/zinc/10/43/39/1123104339.db2.gz NDRFAABVIFPZIL-UHFFFAOYSA-N 0 1 281.421 3.535 20 0 CHADMN C[C@@H](C[C@@H]1CCCO1)Nc1ccnc2cc(F)ccc21 ZINC000113247268 1123105924 /nfs/dbraw/zinc/10/59/24/1123105924.db2.gz MCVHHICWTNVUKL-AAEUAGOBSA-N 0 1 274.339 3.743 20 0 CHADMN CC(C)=CCC[C@@H](C)CN1CCO[C@H](c2ccncc2)C1 ZINC001201496739 1123110701 /nfs/dbraw/zinc/11/07/01/1123110701.db2.gz QDPCMYJZNGHDOG-AEFFLSMTSA-N 0 1 288.435 3.837 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(Cl)cc2)C(C)C)nn1C ZINC000487387673 1123116920 /nfs/dbraw/zinc/11/69/20/1123116920.db2.gz GXXCMNPPHCMRTI-MRXNPFEDSA-N 0 1 291.826 3.869 20 0 CHADMN CCOC(=O)c1cc2c(s1)CC[N@@H+](CC(CC)CC)C2 ZINC001201530844 1123122780 /nfs/dbraw/zinc/12/27/80/1123122780.db2.gz CTNVKNWTJWBQRO-UHFFFAOYSA-N 0 1 295.448 3.719 20 0 CHADMN CCCCOc1ccc(CN2C[C@@H](C)[C@@H](F)C2)cc1 ZINC001203972125 1123125695 /nfs/dbraw/zinc/12/56/95/1123125695.db2.gz JCTKUAIMQOWZNE-CJNGLKHVSA-N 0 1 265.372 3.655 20 0 CHADMN CCN1CCC[C@H](Oc2cc(C)ccc2Cl)C1 ZINC001201581646 1123127335 /nfs/dbraw/zinc/12/73/35/1123127335.db2.gz JWOQLMCJIKWDEI-LBPRGKRZSA-N 0 1 253.773 3.512 20 0 CHADMN O=C(CN1CCC[C@H]2CCC[C@@H]21)Nc1cccc(Cl)c1 ZINC000441446219 1123128430 /nfs/dbraw/zinc/12/84/30/1123128430.db2.gz KGGPGVMJDMIVPE-DOMZBBRYSA-N 0 1 292.810 3.543 20 0 CHADMN CCCCN1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000441448208 1123128756 /nfs/dbraw/zinc/12/87/56/1123128756.db2.gz ORFXTJMVYDYTLU-DOTOQJQBSA-N 0 1 261.409 3.865 20 0 CHADMN CC(C)CCN1CC(Oc2ccc(C(F)(F)F)cc2)C1 ZINC001201630491 1123129113 /nfs/dbraw/zinc/12/91/13/1123129113.db2.gz BIQMYLPJDUPWST-UHFFFAOYSA-N 0 1 287.325 3.815 20 0 CHADMN Cc1ccc([C@@]2(C)C[N@@H+](CCC(C)C)CCO2)cc1 ZINC001201624491 1123132838 /nfs/dbraw/zinc/13/28/38/1123132838.db2.gz SUMFSGMIHHVCHO-QGZVFWFLSA-N 0 1 261.409 3.589 20 0 CHADMN CC/C=C(\C)C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000178943370 1123135268 /nfs/dbraw/zinc/13/52/68/1123135268.db2.gz SCMTZMVPXFNYMV-VGOFMYFVSA-N 0 1 286.419 3.953 20 0 CHADMN CC/C=C(\C)C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000178943370 1123135270 /nfs/dbraw/zinc/13/52/70/1123135270.db2.gz SCMTZMVPXFNYMV-VGOFMYFVSA-N 0 1 286.419 3.953 20 0 CHADMN CCN(CCCSC)Cc1cccc(F)c1F ZINC001201697946 1123137933 /nfs/dbraw/zinc/13/79/33/1123137933.db2.gz UDJYNIYITDYTKK-UHFFFAOYSA-N 0 1 259.365 3.540 20 0 CHADMN Fc1ccc2c(c1)OCCC[C@H]2NCc1ccsc1 ZINC001201742448 1123144429 /nfs/dbraw/zinc/14/44/29/1123144429.db2.gz OXVSDUBHLNCMTD-CQSZACIVSA-N 0 1 277.364 3.891 20 0 CHADMN COC[C@H](N[C@H]1CCCc2occc21)c1ccccc1 ZINC000189997561 1123145845 /nfs/dbraw/zinc/14/58/45/1123145845.db2.gz DOPIFSYMEIDHDW-HOTGVXAUSA-N 0 1 271.360 3.634 20 0 CHADMN C[C@@H](N[C@@H]1CCSc2c(Cl)cccc21)c1cn[nH]c1 ZINC000334325020 1123153499 /nfs/dbraw/zinc/15/34/99/1123153499.db2.gz FVCMBIOUTCEZRR-NOZJJQNGSA-N 0 1 293.823 3.951 20 0 CHADMN C[C@H]([N@@H+](Cc1cncn1C)Cc1ccccc1)C(C)(C)C ZINC000346026277 1123159384 /nfs/dbraw/zinc/15/93/84/1123159384.db2.gz DGJXGGNNWFGDCI-HNNXBMFYSA-N 0 1 285.435 3.857 20 0 CHADMN CC(C)CC[C@@H]1CCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000155509367 1129103017 /nfs/dbraw/zinc/10/30/17/1129103017.db2.gz JZLWVYHFMKWRDJ-ZDUSSCGKSA-N 0 1 277.412 3.574 20 0 CHADMN Cc1nc(C2(NC[C@H]3C(C)=CCC[C@H]3C)CCCC2)no1 ZINC000191104301 1123166480 /nfs/dbraw/zinc/16/64/80/1123166480.db2.gz CJYUINIWZCOFCC-HIFRSBDPSA-N 0 1 289.423 3.729 20 0 CHADMN NC1(c2noc([C@H](c3ccccc3)C3CC3)n2)CCCCC1 ZINC000520566375 1123176219 /nfs/dbraw/zinc/17/62/19/1123176219.db2.gz UWXSUUBSRZQHOG-OAHLLOKOSA-N 0 1 297.402 3.730 20 0 CHADMN CCc1cc(NC(=O)c2c(C)n[nH]c2C(C)C)ccc1C ZINC000183193333 1123181789 /nfs/dbraw/zinc/18/17/89/1123181789.db2.gz OBZLCMLGTGLPES-UHFFFAOYSA-N 0 1 285.391 3.965 20 0 CHADMN C[C@H](CNCc1csc(C(F)(F)F)n1)CC(F)F ZINC000895090954 1123188789 /nfs/dbraw/zinc/18/87/89/1123188789.db2.gz GOJFMBBXLNBCBJ-LURJTMIESA-N 0 1 288.285 3.543 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)c1ccccn1 ZINC000152372408 1123190726 /nfs/dbraw/zinc/19/07/26/1123190726.db2.gz ZENXKQRBBOMXFC-LSDHHAIUSA-N 0 1 292.386 3.679 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2C[C@H]2CC(C)C)c(C)s1 ZINC000385825329 1129104884 /nfs/dbraw/zinc/10/48/84/1129104884.db2.gz KMVMAOJCMMXCBW-ZWKOPEQDSA-N 0 1 252.427 3.845 20 0 CHADMN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc3nc[nH]c3c2)C1(C)C ZINC000620903479 1129104953 /nfs/dbraw/zinc/10/49/53/1129104953.db2.gz BDUDGDQKRACZIT-SWLSCSKDSA-N 0 1 283.375 3.740 20 0 CHADMN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc3nc[nH]c3c2)C1(C)C ZINC000620903478 1129104997 /nfs/dbraw/zinc/10/49/97/1129104997.db2.gz BDUDGDQKRACZIT-IUODEOHRSA-N 0 1 283.375 3.740 20 0 CHADMN CCCN(CCc1cccs1)Cn1cccnc1=S ZINC000183810710 1129105181 /nfs/dbraw/zinc/10/51/81/1129105181.db2.gz IIKNYTFTTOBEQC-UHFFFAOYSA-N 0 1 293.461 3.586 20 0 CHADMN CN(C)Cc1ccc(-c2cccc3c2COCC3)cc1F ZINC000665145532 1123200700 /nfs/dbraw/zinc/20/07/00/1123200700.db2.gz RLOYDDDHVLPNJY-UHFFFAOYSA-N 0 1 285.362 3.627 20 0 CHADMN COCC[C@H](NCc1sc(C)nc1C)c1ccc(C)o1 ZINC000350310975 1123206664 /nfs/dbraw/zinc/20/66/64/1123206664.db2.gz DBAMSSKIDXJDGK-ZDUSSCGKSA-N 0 1 294.420 3.529 20 0 CHADMN C[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)[C@H]1CO ZINC000441716307 1123206747 /nfs/dbraw/zinc/20/67/47/1123206747.db2.gz OIOCRNBVPWHQLE-HZMBPMFUSA-N 0 1 288.218 3.586 20 0 CHADMN CC[C@H]1CCC[C@H]1CNCc1nc(C(C)(C)C)co1 ZINC001202456057 1123208923 /nfs/dbraw/zinc/20/89/23/1123208923.db2.gz INVRAIVXCHKSBP-STQMWFEESA-N 0 1 264.413 3.888 20 0 CHADMN CC[C@@H]1CCC[C@H]1CNCc1nc(C(C)(C)C)co1 ZINC001202456055 1123209475 /nfs/dbraw/zinc/20/94/75/1123209475.db2.gz INVRAIVXCHKSBP-OLZOCXBDSA-N 0 1 264.413 3.888 20 0 CHADMN CC[C@@H](C)c1ccc(C(=O)Nc2nc(C3CCC3)n[nH]2)cc1 ZINC000760047304 1123209623 /nfs/dbraw/zinc/20/96/23/1123209623.db2.gz SFDLQMYLTNQGBA-LLVKDONJSA-N 0 1 298.390 3.838 20 0 CHADMN CC[C@@H](C)c1ccc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc1 ZINC000760047304 1123209625 /nfs/dbraw/zinc/20/96/25/1123209625.db2.gz SFDLQMYLTNQGBA-LLVKDONJSA-N 0 1 298.390 3.838 20 0 CHADMN COc1cccc(CNCc2nccc3ccccc32)c1 ZINC000067450976 1123216702 /nfs/dbraw/zinc/21/67/02/1123216702.db2.gz USCIXCSXDTYHGM-UHFFFAOYSA-N 0 1 278.355 3.533 20 0 CHADMN CCc1ccc(CN(CC)Cc2cccc(F)c2)nc1 ZINC000338914109 1123216880 /nfs/dbraw/zinc/21/68/80/1123216880.db2.gz CFQVPMZYTJJETJ-UHFFFAOYSA-N 0 1 272.367 3.805 20 0 CHADMN CC(C)c1nnc(CN[C@H](C)[C@H](C)C2CCCCC2)o1 ZINC000185519571 1123229780 /nfs/dbraw/zinc/22/97/80/1123229780.db2.gz KUSYXLHDCDIEEJ-QWHCGFSZSA-N 0 1 279.428 3.888 20 0 CHADMN CCc1nc(C(C)C)ccc1CN(C)C[C@@H]1CCCCO1 ZINC000338928061 1123232930 /nfs/dbraw/zinc/23/29/30/1123232930.db2.gz YLYISEBXQAISEE-INIZCTEOSA-N 0 1 290.451 3.768 20 0 CHADMN CC[C@H](NCc1ccnn1CC1CC1)c1ccccc1OC ZINC000850027871 1123237803 /nfs/dbraw/zinc/23/78/03/1123237803.db2.gz HFJJHLBQCKJRHL-KRWDZBQOSA-N 0 1 299.418 3.543 20 0 CHADMN Fc1ccc(CN[C@H]2CCc3c2c(F)ccc3F)cc1 ZINC000507844034 1123238396 /nfs/dbraw/zinc/23/83/96/1123238396.db2.gz IYLHTOKCCXPWLA-HNNXBMFYSA-N 0 1 277.289 3.881 20 0 CHADMN CCN(c1ccc(NCc2cnn3c2CCC3)cc1)C(C)C ZINC000850044616 1123238793 /nfs/dbraw/zinc/23/87/93/1123238793.db2.gz QWVLOSVZPDAFCA-UHFFFAOYSA-N 0 1 298.434 3.676 20 0 CHADMN C[C@@H](N[C@@H]1CC(C)(C)c2ccccc21)c1ccncn1 ZINC000334525167 1123243057 /nfs/dbraw/zinc/24/30/57/1123243057.db2.gz FZRXPVLCYKNQIT-MLGOLLRUSA-N 0 1 267.376 3.550 20 0 CHADMN CCCn1cc(CN2CCC[C@@H]2/C=C\c2ccccc2)cn1 ZINC000507880010 1123244598 /nfs/dbraw/zinc/24/45/98/1123244598.db2.gz AUHRUQDMNZBTBT-OEIFXAAASA-N 0 1 295.430 3.971 20 0 CHADMN CCCOc1ccc(CNCc2cccnc2F)c(C)c1 ZINC000850281577 1123251347 /nfs/dbraw/zinc/25/13/47/1123251347.db2.gz JYULTESFKQMWRR-UHFFFAOYSA-N 0 1 288.366 3.608 20 0 CHADMN C[C@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@H]1C ZINC000074190159 1123257162 /nfs/dbraw/zinc/25/71/62/1123257162.db2.gz DHEOOHKAXMPDDF-OKILXGFUSA-N 0 1 295.386 3.553 20 0 CHADMN Cc1ccc(CN2CCCCC[C@@H]2c2ccncc2)nc1 ZINC000156103684 1129109241 /nfs/dbraw/zinc/10/92/41/1129109241.db2.gz KLJVLHMSNKFBPP-GOSISDBHSA-N 0 1 281.403 3.902 20 0 CHADMN CC(C)[C@H](NCc1cnc(Cl)n1C)c1ccccc1F ZINC000850363416 1123257445 /nfs/dbraw/zinc/25/74/45/1123257445.db2.gz YPOHMXIJPLYEKV-AWEZNQCLSA-N 0 1 295.789 3.700 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1ccccc1F ZINC000850373706 1123259312 /nfs/dbraw/zinc/25/93/12/1123259312.db2.gz IXQJVQMWZZXIHI-MZPVMMEZSA-N 0 1 271.335 3.655 20 0 CHADMN CC(C)CCn1cccc1CN[C@H]1C[C@H](O)c2ccccc21 ZINC000850372744 1123259664 /nfs/dbraw/zinc/25/96/64/1123259664.db2.gz YICOSDCWISKWIB-OALUTQOASA-N 0 1 298.430 3.802 20 0 CHADMN Cc1ccccc1C(C)(C)NC(=O)c1n[nH]c2ccccc21 ZINC000508046395 1123259917 /nfs/dbraw/zinc/25/99/17/1123259917.db2.gz RMQCIWRWYKBEAL-UHFFFAOYSA-N 0 1 293.370 3.536 20 0 CHADMN Cc1ccccc1[C@H](C)NC1(C(=O)Nc2ccccc2)CC1 ZINC000427988905 1123267055 /nfs/dbraw/zinc/26/70/55/1123267055.db2.gz QRTCGAURDUMXKC-HNNXBMFYSA-N 0 1 294.398 3.817 20 0 CHADMN Clc1cc(Cl)cc(CN[C@@H]2CCCc3n[nH]cc32)c1 ZINC000850482233 1123273098 /nfs/dbraw/zinc/27/30/98/1123273098.db2.gz QSWZRHFXJKQSKU-CYBMUJFWSA-N 0 1 296.201 3.884 20 0 CHADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C(C)(C)C(C)(C)C ZINC000508277521 1123274391 /nfs/dbraw/zinc/27/43/91/1123274391.db2.gz AVCVHTAUDWRFJA-UHFFFAOYSA-N 0 1 293.455 3.738 20 0 CHADMN CC[C@H](COCC1CC1)N[C@@H](C)c1cccnc1Cl ZINC000850494563 1123275334 /nfs/dbraw/zinc/27/53/34/1123275334.db2.gz PQFIJEKDYRSTEJ-WCQYABFASA-N 0 1 282.815 3.591 20 0 CHADMN CCCCOC1CCN(Cc2oc(CCC)nc2C)CC1 ZINC000428219182 1123283124 /nfs/dbraw/zinc/28/31/24/1123283124.db2.gz DKUVIFWUIAIAEC-UHFFFAOYSA-N 0 1 294.439 3.717 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000850527656 1123283187 /nfs/dbraw/zinc/28/31/87/1123283187.db2.gz BIMSUDVMBHDVOW-MORSLUCNSA-N 0 1 297.398 3.914 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@@H]1C[C@H](O)c2ccccc21 ZINC000850529251 1123284010 /nfs/dbraw/zinc/28/40/10/1123284010.db2.gz PAFPFFBUPHYBPQ-VHSSKADRSA-N 0 1 297.398 3.833 20 0 CHADMN O[C@@H]1C[C@H](N[C@H]2CCCOc3ccccc32)c2ccccc21 ZINC000850528967 1123284124 /nfs/dbraw/zinc/28/41/24/1123284124.db2.gz ONKLWEIULMVUNB-OKZBNKHCSA-N 0 1 295.382 3.668 20 0 CHADMN C[C@@H](N[C@@]1(C)CC1(C)C)c1nc(Br)cs1 ZINC000850556498 1123290825 /nfs/dbraw/zinc/29/08/25/1123290825.db2.gz QZSFITBXOQUSLW-HQJQHLMTSA-N 0 1 289.242 3.745 20 0 CHADMN CC[C@H](NCc1cn(CC)nc1C)c1ccccc1F ZINC000895148042 1123293935 /nfs/dbraw/zinc/29/39/35/1123293935.db2.gz YQIVPMNFRKQCSF-INIZCTEOSA-N 0 1 275.371 3.591 20 0 CHADMN CCCN[C@@H](C)c1nc(C2(c3ccccc3)CCC2)no1 ZINC000109514157 1123299094 /nfs/dbraw/zinc/29/90/94/1123299094.db2.gz GLUXMZROSHDEJI-ZDUSSCGKSA-N 0 1 285.391 3.600 20 0 CHADMN C[C@@H]1C[C@H](NCc2ccc(F)cn2)c2ccccc21 ZINC000335120561 1123305073 /nfs/dbraw/zinc/30/50/73/1123305073.db2.gz WLTLNNUVAQOWAE-BZNIZROVSA-N 0 1 256.324 3.559 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC(C)(C)C[C@@H]1C ZINC000335174135 1123316410 /nfs/dbraw/zinc/31/64/10/1123316410.db2.gz PAPNBGXDXPBJBS-NWDGAFQWSA-N 0 1 285.391 3.517 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC(C)(C)C[C@H]1C ZINC000335174139 1123316814 /nfs/dbraw/zinc/31/68/14/1123316814.db2.gz PAPNBGXDXPBJBS-VXGBXAGGSA-N 0 1 285.391 3.517 20 0 CHADMN Cc1cnc([C@H](C)N2CCSC3(CCCCC3)C2)cn1 ZINC000335211752 1123322298 /nfs/dbraw/zinc/32/22/98/1123322298.db2.gz FCTWZRHNLNXAIU-AWEZNQCLSA-N 0 1 291.464 3.598 20 0 CHADMN Cc1nc(CN2CCCCC[C@H]2/C=C/c2ccccc2)n[nH]1 ZINC000428253399 1123326887 /nfs/dbraw/zinc/32/68/87/1123326887.db2.gz QJBBLKOQSCTFFM-FLVLSHQESA-N 0 1 296.418 3.571 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CC[C@H](C2CCC2)C1 ZINC000665286343 1123327178 /nfs/dbraw/zinc/32/71/78/1123327178.db2.gz JOBPHCIFTSBHDN-AAEUAGOBSA-N 0 1 277.412 3.550 20 0 CHADMN CC[C@@H]1CCCCN1Cc1csc(N(C)C2CC2)n1 ZINC000156573823 1129114229 /nfs/dbraw/zinc/11/42/29/1129114229.db2.gz SUOYWHCMBIECPX-CYBMUJFWSA-N 0 1 279.453 3.506 20 0 CHADMN CC1(C)CN(Cc2cccc(OC(F)F)c2)CC(C)(C)O1 ZINC000442872798 1123344744 /nfs/dbraw/zinc/34/47/44/1123344744.db2.gz ITWCUHCCSKNUGU-UHFFFAOYSA-N 0 1 299.361 3.677 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1cncc(C)c1)[C@H]2C ZINC000442900842 1123348995 /nfs/dbraw/zinc/34/89/95/1123348995.db2.gz QEMRDRBJBGHNPX-GJZGRUSLSA-N 0 1 296.414 3.906 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H]2CC2CCCCC2)nn1C ZINC000487422548 1123349707 /nfs/dbraw/zinc/34/97/07/1123349707.db2.gz SHHDECZVSUGUTE-KRWDZBQOSA-N 0 1 275.440 3.663 20 0 CHADMN CCc1n[nH]cc1CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC001237652985 1129115719 /nfs/dbraw/zinc/11/57/19/1129115719.db2.gz APLYDJCIZOIDEX-LLVKDONJSA-N 0 1 277.799 3.819 20 0 CHADMN CCC[C@@H](N[C@@H](CO)c1ccsc1)c1ccsc1 ZINC000443085665 1123355190 /nfs/dbraw/zinc/35/51/90/1123355190.db2.gz CNZXSSARCKKYCW-KGLIPLIRSA-N 0 1 281.446 3.974 20 0 CHADMN Cc1ccc(CN2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)o1 ZINC000443072997 1123355748 /nfs/dbraw/zinc/35/57/48/1123355748.db2.gz SIBPDRBWKHXIIG-VKJFTORMSA-N 0 1 289.419 3.758 20 0 CHADMN CCCN1CCC[C@H]1c1nc(CCCc2ccccc2)no1 ZINC000443101467 1123357268 /nfs/dbraw/zinc/35/72/68/1123357268.db2.gz ZPTHQYNNDGEAFO-INIZCTEOSA-N 0 1 299.418 3.792 20 0 CHADMN CCCN1CCC[C@H]1c1nc(-c2ccc(CC)cc2)no1 ZINC000443100309 1123357967 /nfs/dbraw/zinc/35/79/67/1123357967.db2.gz FGXQIAGMSBCWRY-HNNXBMFYSA-N 0 1 285.391 3.846 20 0 CHADMN CCO[C@H]1C[C@H](NCc2nccn2C(C)C)C1(CC)CC ZINC000191065676 1123362722 /nfs/dbraw/zinc/36/27/22/1123362722.db2.gz YUPYJANVXUIUAZ-GJZGRUSLSA-N 0 1 293.455 3.537 20 0 CHADMN CCC(F)(F)C(C)(C)COC(=O)c1ccc2cncn2c1 ZINC000851508754 1123364540 /nfs/dbraw/zinc/36/45/40/1123364540.db2.gz JYGZXVTUEWHATD-UHFFFAOYSA-N 0 1 296.317 3.563 20 0 CHADMN Fc1cccc(CN2CCC(c3ccccc3)CC2)n1 ZINC000851716070 1123374159 /nfs/dbraw/zinc/37/41/59/1123374159.db2.gz FUHLKAGOKAPSHQ-UHFFFAOYSA-N 0 1 270.351 3.600 20 0 CHADMN Cc1ccc(C2=CCN(CCO[C@@H]3CC3(F)F)CC2)cc1 ZINC000851713779 1123374229 /nfs/dbraw/zinc/37/42/29/1123374229.db2.gz JITYFMFMOGGVNM-MRXNPFEDSA-N 0 1 293.357 3.508 20 0 CHADMN CO[C@@H](CN1CCC[C@H]1c1cc(C)on1)C1CCCCC1 ZINC000851717293 1123374712 /nfs/dbraw/zinc/37/47/12/1123374712.db2.gz VWUKKMPQMFSEDO-IRXDYDNUSA-N 0 1 292.423 3.715 20 0 CHADMN CCN(Cc1cccc(F)n1)[C@H](C)c1ccc(F)cc1 ZINC000851735716 1123375840 /nfs/dbraw/zinc/37/58/40/1123375840.db2.gz INKQBSXYAVKNJG-GFCCVEGCSA-N 0 1 276.330 3.943 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cccc(F)n1 ZINC000851773261 1123379933 /nfs/dbraw/zinc/37/99/33/1123379933.db2.gz SMMSWVUFMFCORV-INIZCTEOSA-N 0 1 270.351 3.730 20 0 CHADMN COc1ccccc1/C=C\CN1CCc2ccccc2C1 ZINC000008675478 1123384848 /nfs/dbraw/zinc/38/48/48/1123384848.db2.gz HIEFUXAHUVPKSO-POHAHGRESA-N 0 1 279.383 3.767 20 0 CHADMN CCN(Cc1occc1C)Cc1ccc2nccnc2c1 ZINC000639266354 1123385824 /nfs/dbraw/zinc/38/58/24/1123385824.db2.gz PUOGDKDZTHDZLV-UHFFFAOYSA-N 0 1 281.359 3.553 20 0 CHADMN C[C@@H](N[C@@H]1COCc2ccccc21)c1cc(F)cc(F)c1 ZINC000335633057 1123385944 /nfs/dbraw/zinc/38/59/44/1123385944.db2.gz WHFMNFFAKPQJAX-PIGZYNQJSA-N 0 1 289.325 3.887 20 0 CHADMN COc1cc(CN2C[C@@H](C)C[C@@H]2c2ccccc2)sn1 ZINC000852046131 1123394427 /nfs/dbraw/zinc/39/44/27/1123394427.db2.gz QPXUFXGGLKXFAY-SWLSCSKDSA-N 0 1 288.416 3.735 20 0 CHADMN Clc1cccc(CN2CCC[C@@H](c3ccccn3)C2)n1 ZINC000852087289 1123395368 /nfs/dbraw/zinc/39/53/68/1123395368.db2.gz HOJRINMNRLKCCE-CYBMUJFWSA-N 0 1 287.794 3.510 20 0 CHADMN CCC[C@@H](NCc1cccnc1N(C)C)c1ccsc1 ZINC000191202527 1123397205 /nfs/dbraw/zinc/39/72/05/1123397205.db2.gz NYQBVBHBGUKAQF-OAHLLOKOSA-N 0 1 289.448 3.840 20 0 CHADMN CCCCc1[nH]n(-c2cccc3ncccc32)c(=O)c1C ZINC000634590700 1129119130 /nfs/dbraw/zinc/11/91/30/1129119130.db2.gz HKMZTRFYMFZDIO-LBPRGKRZSA-N 0 1 281.359 3.764 20 0 CHADMN CCCCC1=NN(Cc2cccc3cccnc32)C(=O)[C@@H]1C ZINC000634592336 1129119320 /nfs/dbraw/zinc/11/93/20/1129119320.db2.gz GROLVLAMMFHHHN-CYBMUJFWSA-N 0 1 295.386 3.759 20 0 CHADMN CCCCc1[nH]n(Cc2cccc3cccnc32)c(=O)c1C ZINC000634592336 1129119324 /nfs/dbraw/zinc/11/93/24/1129119324.db2.gz GROLVLAMMFHHHN-CYBMUJFWSA-N 0 1 295.386 3.759 20 0 CHADMN CCOC(CN[C@@H](c1ccccc1F)C(C)C)OCC ZINC000852449718 1123405171 /nfs/dbraw/zinc/40/51/71/1123405171.db2.gz WRUNIVYVDXYCEI-MRXNPFEDSA-N 0 1 283.387 3.512 20 0 CHADMN CCCC1=NN(c2nc3ccccc3s2)C(=O)[C@@H]1CC ZINC000634585824 1129119481 /nfs/dbraw/zinc/11/94/81/1129119481.db2.gz TVMOZTDQJZHIQW-SNVBAGLBSA-N 0 1 287.388 3.825 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)N(C)Cc1cccn1C ZINC000156933461 1129119914 /nfs/dbraw/zinc/11/99/14/1129119914.db2.gz FNNZWIJEQLXCDW-LBPRGKRZSA-N 0 1 262.784 3.872 20 0 CHADMN CSc1ccc(-n2[nH]c3c(c2=O)C[C@H](C)CC3)cc1 ZINC000634594374 1129119911 /nfs/dbraw/zinc/11/99/11/1129119911.db2.gz UHSMRYHDUYPBKH-MFKMUULPSA-N 0 1 274.389 3.547 20 0 CHADMN CCC(CC)CCCN(C)Cc1cnc(Cl)cn1 ZINC000852671438 1123412096 /nfs/dbraw/zinc/41/20/96/1123412096.db2.gz PRSSBMMCRDDBBR-UHFFFAOYSA-N 0 1 269.820 3.778 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1cncc(C(F)(F)F)c1 ZINC000852700608 1123413266 /nfs/dbraw/zinc/41/32/66/1123413266.db2.gz PALFLFQZBQPGBW-FTNCPSPGSA-N 0 1 284.325 3.863 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2ccc(F)cn2)c2ccccc21 ZINC000335715132 1123414283 /nfs/dbraw/zinc/41/42/83/1123414283.db2.gz PPWCACDHRFGQQW-SJKOYZFVSA-N 0 1 270.351 3.949 20 0 CHADMN Cc1cc(CN(C)Cc2ccccc2)cc(F)c1F ZINC001143591758 1123414633 /nfs/dbraw/zinc/41/46/33/1123414633.db2.gz JNPOXCWTGOJIDW-UHFFFAOYSA-N 0 1 261.315 3.905 20 0 CHADMN C[C@@H](CSc1cn[nH]n1)c1ccc(C(F)(F)F)cc1 ZINC000443487681 1123416504 /nfs/dbraw/zinc/41/65/04/1123416504.db2.gz RTDBOONWPXDPIP-QMMMGPOBSA-N 0 1 287.310 3.719 20 0 CHADMN FC(F)(F)Cc1ncc(CN2C[C@@H]3CCCC[C@@H]32)s1 ZINC000895234398 1123417116 /nfs/dbraw/zinc/41/71/16/1123417116.db2.gz JKRUZWJCODGXPH-ONGXEEELSA-N 0 1 290.354 3.622 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc3c(c2)CCCO3)o1 ZINC000853094613 1123424079 /nfs/dbraw/zinc/42/40/79/1123424079.db2.gz HNTUUPRLOCKGNN-ZDUSSCGKSA-N 0 1 271.360 3.764 20 0 CHADMN O=C1[C@@H]2CCCCCC2=NN1c1ccc(OC(F)F)cc1 ZINC000634602517 1129120829 /nfs/dbraw/zinc/12/08/29/1129120829.db2.gz ULTXRKKQSNGZIR-GFCCVEGCSA-N 0 1 294.301 3.571 20 0 CHADMN O=c1c2c([nH]n1-c1ccc(OC(F)F)cc1)CCCCC2 ZINC000634602517 1129120830 /nfs/dbraw/zinc/12/08/30/1129120830.db2.gz ULTXRKKQSNGZIR-GFCCVEGCSA-N 0 1 294.301 3.571 20 0 CHADMN C[C@H](OC(=O)c1ccc(C2CCCCC2)cc1)c1nnc[nH]1 ZINC000853214203 1123427947 /nfs/dbraw/zinc/42/79/47/1123427947.db2.gz NLGBICLCQYWIKM-LBPRGKRZSA-N 0 1 299.374 3.770 20 0 CHADMN CC(C)c1ccc2occ(C(=O)O[C@H](C)c3nnc[nH]3)c2c1 ZINC000853224895 1123428250 /nfs/dbraw/zinc/42/82/50/1123428250.db2.gz ZVGATURDRJPCLT-SNVBAGLBSA-N 0 1 299.330 3.592 20 0 CHADMN CC[C@H](NCc1cc(C)nc(Cl)c1)c1c(C)noc1C ZINC000797602184 1123428403 /nfs/dbraw/zinc/42/84/03/1123428403.db2.gz NGHSCJIGTCVODH-ZDUSSCGKSA-N 0 1 293.798 3.889 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncs1)c1ccc2c(c1)CCCO2 ZINC000853243232 1123430143 /nfs/dbraw/zinc/43/01/43/1123430143.db2.gz ZPJRLIXKRBPVSH-NEPJUHHUSA-N 0 1 288.416 3.880 20 0 CHADMN CCc1c(=O)n(-c2cccc3cnccc32)[nH]c1C(C)C ZINC000634622979 1129121698 /nfs/dbraw/zinc/12/16/98/1129121698.db2.gz UKBJFEGBTRYXOU-CYBMUJFWSA-N 0 1 281.359 3.620 20 0 CHADMN C[C@H](N[C@@H]1CCCOc2ccc(F)cc21)c1ccncc1 ZINC000335843759 1123445938 /nfs/dbraw/zinc/44/59/38/1123445938.db2.gz HRTFREXVXVTMBB-BLLLJJGKSA-N 0 1 286.350 3.785 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@H]2NCc1ccc(F)cn1 ZINC000335849666 1123446770 /nfs/dbraw/zinc/44/67/70/1123446770.db2.gz GAEBLZXEFRIICT-MLGOLLRUSA-N 0 1 270.351 3.867 20 0 CHADMN C[C@@H](Oc1ccc2nc[nH]c2c1)c1ccccc1F ZINC001226928798 1123449732 /nfs/dbraw/zinc/44/97/32/1123449732.db2.gz RQZCLISEUBKYQI-SNVBAGLBSA-N 0 1 256.280 3.842 20 0 CHADMN Fc1ccc2c(c1)nccc2NCCC1SCCS1 ZINC000853961485 1123463153 /nfs/dbraw/zinc/46/31/53/1123463153.db2.gz AUYMQJRFHAIGFE-UHFFFAOYSA-N 0 1 294.420 3.982 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CC[C@@](C)(F)C1 ZINC000443662411 1123464727 /nfs/dbraw/zinc/46/47/27/1123464727.db2.gz VDMHEJNGQRGEHN-CYBMUJFWSA-N 0 1 275.289 3.948 20 0 CHADMN Fc1ccc(-n2nccc2CN2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000474144703 1123469306 /nfs/dbraw/zinc/46/93/06/1123469306.db2.gz CIKZMNLNNDVEIQ-KBXCAEBGSA-N 0 1 299.393 3.776 20 0 CHADMN CC(C)Cc1ccc(CN[C@@H]2C[C@@H](O)c3ccccc32)cn1 ZINC000895369346 1123470282 /nfs/dbraw/zinc/47/02/82/1123470282.db2.gz QDDGMNAVZHFGLL-RTBURBONSA-N 0 1 296.414 3.548 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@H]2CC[C@H](C3CCC3)CC2)n1 ZINC000854133366 1123470486 /nfs/dbraw/zinc/47/04/86/1123470486.db2.gz ZOIXUZJIRCROTR-MGPQQGTHSA-N 0 1 277.412 3.799 20 0 CHADMN CC(C)CN(Cc1csc(C(C)C)n1)C1CC1 ZINC000051735413 1123470667 /nfs/dbraw/zinc/47/06/67/1123470667.db2.gz BAJVHUDSCLAFLH-UHFFFAOYSA-N 0 1 252.427 3.887 20 0 CHADMN C[C@H](OC(=O)c1ccco1)c1nc2ccc(Cl)cc2[nH]1 ZINC000111989503 1123472806 /nfs/dbraw/zinc/47/28/06/1123472806.db2.gz WWXGDFYJAPOPPF-QMMMGPOBSA-N 0 1 290.706 3.727 20 0 CHADMN C[C@H](OC(=O)c1ccoc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000111989173 1123472816 /nfs/dbraw/zinc/47/28/16/1123472816.db2.gz FSSDQVSFTHVTFB-QMMMGPOBSA-N 0 1 290.706 3.727 20 0 CHADMN Cc1cccc2c1CCN(C[C@H]1CC1(Cl)Cl)C2 ZINC000729543043 1123487565 /nfs/dbraw/zinc/48/75/65/1123487565.db2.gz CXDGVOPONQODNR-GFCCVEGCSA-N 0 1 270.203 3.547 20 0 CHADMN Cc1ccccc1NC(=O)CN1CCC[C@@]2(CC=CCC2)C1 ZINC000114494070 1123489304 /nfs/dbraw/zinc/48/93/04/1123489304.db2.gz FQIZTSBUHLIHLU-IBGZPJMESA-N 0 1 298.430 3.756 20 0 CHADMN FC[C@@H]1CCCN(Cc2cnc(-c3ccco3)s2)C1 ZINC000895545360 1123491209 /nfs/dbraw/zinc/49/12/09/1123491209.db2.gz SUSNFKLWNGIEBS-NSHDSACASA-N 0 1 280.368 3.585 20 0 CHADMN Oc1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000895578197 1123493893 /nfs/dbraw/zinc/49/38/93/1123493893.db2.gz HMHXJFQOJALSJB-KGLIPLIRSA-N 0 1 283.824 3.516 20 0 CHADMN Cc1cc(F)c(CN2CC[C@H](c3nccs3)C2)c(F)c1 ZINC000895584188 1123494043 /nfs/dbraw/zinc/49/40/43/1123494043.db2.gz QIYACEGEQVBUSQ-NSHDSACASA-N 0 1 294.370 3.719 20 0 CHADMN Cc1cccc2[nH]c(CN3CC(CC4CCOCC4)C3)cc21 ZINC000895615056 1123496916 /nfs/dbraw/zinc/49/69/16/1123496916.db2.gz GOUUPNTWYNSESM-UHFFFAOYSA-N 0 1 298.430 3.725 20 0 CHADMN C[C@@]1(CNC2(c3ncccn3)CCC2)C[C@H]1c1ccccc1 ZINC000895623650 1123498067 /nfs/dbraw/zinc/49/80/67/1123498067.db2.gz RLBJVKSFUTUUKH-WMZOPIPTSA-N 0 1 293.414 3.639 20 0 CHADMN Clc1cscc1CN1CCC2(CCCCO2)CC1 ZINC000895653610 1123501326 /nfs/dbraw/zinc/50/13/26/1123501326.db2.gz JDQNCDIRVLOKAG-UHFFFAOYSA-N 0 1 285.840 3.937 20 0 CHADMN CC[C@@H](C)N(C)Cc1csc(-c2ccco2)n1 ZINC000114718244 1123507139 /nfs/dbraw/zinc/50/71/39/1123507139.db2.gz IHNJFVKXIOBVHT-SNVBAGLBSA-N 0 1 250.367 3.633 20 0 CHADMN CCC(C)(C)CCNCc1nnc(C(C)C)s1 ZINC000895739714 1123509970 /nfs/dbraw/zinc/50/99/70/1123509970.db2.gz HNAXMCZPHSTZFE-UHFFFAOYSA-N 0 1 255.431 3.577 20 0 CHADMN CC(C)(C)[C@H]1C[C@@H](NCc2cc(C3CC3)no2)CS1 ZINC000895763726 1123511798 /nfs/dbraw/zinc/51/17/98/1123511798.db2.gz AUHBVRMVFWJRSX-BXUZGUMPSA-N 0 1 280.437 3.562 20 0 CHADMN O[C@H](CNc1ccnc2cc(F)ccc21)c1ccccc1 ZINC000113246795 1123515284 /nfs/dbraw/zinc/51/52/84/1123515284.db2.gz IFRWCCNVHQIIJC-QGZVFWFLSA-N 0 1 282.318 3.519 20 0 CHADMN Fc1ccc2c(c1)[C@H](N1CCO[C@@H](C(F)F)CC1)CCC2 ZINC000634757418 1129126935 /nfs/dbraw/zinc/12/69/35/1129126935.db2.gz RHWKLRJTUSHVGJ-HUUCEWRRSA-N 0 1 299.336 3.559 20 0 CHADMN CCN(Cc1coc2ccc(F)cc12)Cc1ccccn1 ZINC001141854950 1123529919 /nfs/dbraw/zinc/52/99/19/1123529919.db2.gz XJUKQRLJQZTAJC-UHFFFAOYSA-N 0 1 284.334 3.989 20 0 CHADMN C[C@@H]1CC([NH2+][C@H]2C=CC[CH]2)C[C@@H](C)N1Cc1ccccc1 ZINC001168035014 1123530432 /nfs/dbraw/zinc/53/04/32/1123530432.db2.gz SDLMBPPOWPOKEG-NUJGCVRESA-N 0 1 283.439 3.550 20 0 CHADMN CCc1oc(C(=O)Nc2cc(F)cc(Cl)c2O)cc1C ZINC000474440255 1123530823 /nfs/dbraw/zinc/53/08/23/1123530823.db2.gz XKAVWLYGISRTNC-UHFFFAOYSA-N 0 1 297.713 3.901 20 0 CHADMN Cc1ncoc1CN[C@@H]1CCc2cccc3cccc1c32 ZINC000895933872 1123532214 /nfs/dbraw/zinc/53/22/14/1123532214.db2.gz HLXBCQLJITVNTO-MRXNPFEDSA-N 0 1 278.355 3.913 20 0 CHADMN C[C@H]1c2ccsc2CCN1CCC(=O)c1ccccc1 ZINC000053931744 1123538770 /nfs/dbraw/zinc/53/87/70/1123538770.db2.gz DHCPHQRDIDEMAF-ZDUSSCGKSA-N 0 1 285.412 3.940 20 0 CHADMN C[C@@H]1CCCN(Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000157679554 1129131916 /nfs/dbraw/zinc/13/19/16/1129131916.db2.gz QGHXKZZEIVBKBG-LLVKDONJSA-N 0 1 291.345 3.587 20 0 CHADMN Cn1cc(CN[C@@H](c2ccccc2)C2CCC2)c(Cl)n1 ZINC000856769235 1123566653 /nfs/dbraw/zinc/56/66/53/1123566653.db2.gz VCURHMQRVLXTKZ-HNNXBMFYSA-N 0 1 289.810 3.705 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@H]1CCCc2c(O)cccc21 ZINC000671112198 1129131111 /nfs/dbraw/zinc/13/11/11/1129131111.db2.gz XAEPOQIPZWXTFG-BONVTDFDSA-N 0 1 286.375 3.725 20 0 CHADMN COc1cccc([C@@H](C)N(C)CCC(F)(F)F)c1 ZINC000157665019 1129131169 /nfs/dbraw/zinc/13/11/69/1129131169.db2.gz TWYCBLKTHSJAAZ-SNVBAGLBSA-N 0 1 261.287 3.640 20 0 CHADMN C[C@H]1CC[C@H](Sc2nc(-c3ccccc3F)n[nH]2)C1 ZINC000543710435 1123586850 /nfs/dbraw/zinc/58/68/50/1123586850.db2.gz XMBSHMKOTDKEDW-UWVGGRQHSA-N 0 1 277.368 3.892 20 0 CHADMN Cc1ncsc1CN(C)[C@@H](C)c1cccc(C)c1 ZINC000173361484 1123593468 /nfs/dbraw/zinc/59/34/68/1123593468.db2.gz CAROHBVCVNEONT-ZDUSSCGKSA-N 0 1 260.406 3.953 20 0 CHADMN CCOc1ccccc1CN(C)Cc1cccc(COC)c1 ZINC000179198991 1123599440 /nfs/dbraw/zinc/59/94/40/1123599440.db2.gz NQEOLCFSUIGJFZ-UHFFFAOYSA-N 0 1 299.414 3.864 20 0 CHADMN CC[N@@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000179321274 1123602353 /nfs/dbraw/zinc/60/23/53/1123602353.db2.gz LDPNLERNVQLMHP-LBPRGKRZSA-N 0 1 294.826 3.707 20 0 CHADMN CCC[C@@H](CNCc1ccnc(Cl)c1Cl)OCC ZINC000858210207 1123638446 /nfs/dbraw/zinc/63/84/46/1123638446.db2.gz ITWKCNCBVXJWDW-NSHDSACASA-N 0 1 291.222 3.683 20 0 CHADMN c1csc([C@@H]2CN(CCCc3ccccc3)CCO2)c1 ZINC000157796213 1129133124 /nfs/dbraw/zinc/13/31/24/1129133124.db2.gz ONSHPRVLHBXBPX-INIZCTEOSA-N 0 1 287.428 3.754 20 0 CHADMN CCC[C@H](NCc1cncn1CC)c1ccc(F)cc1F ZINC000417946452 1123619371 /nfs/dbraw/zinc/61/93/71/1123619371.db2.gz RLYMCYKGZVUKHK-INIZCTEOSA-N 0 1 293.361 3.812 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CNC(C)(C)/C=C/Cl ZINC000896747793 1123619612 /nfs/dbraw/zinc/61/96/12/1123619612.db2.gz PQPUWMKOIBXUPP-CMDGGOBGSA-N 0 1 283.847 3.876 20 0 CHADMN Cc1ncc(CN[C@@H](c2ncccc2C)C(C)C)s1 ZINC000115622657 1123620329 /nfs/dbraw/zinc/62/03/29/1123620329.db2.gz KYZXSJIPZDOKMD-CQSZACIVSA-N 0 1 275.421 3.642 20 0 CHADMN c1[nH]nc2c1CCC[C@H]2N[C@@H](c1ccccc1)C1CC1 ZINC000857845999 1123620990 /nfs/dbraw/zinc/62/09/90/1123620990.db2.gz GAXSXLLRCHKQOG-CVEARBPZSA-N 0 1 267.376 3.528 20 0 CHADMN c1csc([C@@H](N[C@@H]2CCCc3c[nH]nc32)C2CC2)c1 ZINC000857847356 1123621241 /nfs/dbraw/zinc/62/12/41/1123621241.db2.gz ZCPMGIMYHAOGAN-DOMZBBRYSA-N 0 1 273.405 3.590 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H]1CCCc2c[nH]nc21 ZINC000857848379 1123621876 /nfs/dbraw/zinc/62/18/76/1123621876.db2.gz IKJNPOIAKQPRFT-CABCVRRESA-N 0 1 299.418 3.992 20 0 CHADMN CO[C@@H](C)c1cccc(N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000857862545 1123623065 /nfs/dbraw/zinc/62/30/65/1123623065.db2.gz GBRQLSRQDBLRFY-XHDPSFHLSA-N 0 1 271.364 3.607 20 0 CHADMN CC[C@@H](C)n1ncc(N[C@@H]2CCCc3cn[nH]c32)c1C1CC1 ZINC000857863181 1123623194 /nfs/dbraw/zinc/62/31/94/1123623194.db2.gz RPYSSZSAZYMAOK-BXUZGUMPSA-N 0 1 299.422 3.944 20 0 CHADMN Fc1cccc(CN[C@H]2CCc3ccc(Cl)nc32)c1 ZINC000857903468 1123625162 /nfs/dbraw/zinc/62/51/62/1123625162.db2.gz ZVJZCVTUHPLQER-ZDUSSCGKSA-N 0 1 276.742 3.651 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3ccc(Cl)nc32)cc(C)n1 ZINC000857916595 1123626944 /nfs/dbraw/zinc/62/69/44/1123626944.db2.gz RBKPBXKCJHFOFC-CQSZACIVSA-N 0 1 287.794 3.524 20 0 CHADMN F[C@@H]1CCCC[C@H]1N[C@@H]1CCc2ccc(Cl)nc21 ZINC000857917197 1123627040 /nfs/dbraw/zinc/62/70/40/1123627040.db2.gz WRMSRAKREMPOAO-IJLUTSLNSA-N 0 1 268.763 3.593 20 0 CHADMN c1coc(CN2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858010315 1123629266 /nfs/dbraw/zinc/62/92/66/1123629266.db2.gz GPGIGNXFZLFIIT-KRWDZBQOSA-N 0 1 298.386 3.595 20 0 CHADMN CC(C)Cc1ccccc1CNCc1cnc(Cl)n1C ZINC000858204035 1123637666 /nfs/dbraw/zinc/63/76/66/1123637666.db2.gz DLROHVAZKBWKQE-UHFFFAOYSA-N 0 1 291.826 3.562 20 0 CHADMN C[C@@H](N[C@H](C)c1ccnn1C)c1cc2ccccc2o1 ZINC000192248768 1123638028 /nfs/dbraw/zinc/63/80/28/1123638028.db2.gz DMAMRAXXYMPFJB-VXGBXAGGSA-N 0 1 269.348 3.578 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1cn3ccccc3n1)CC2 ZINC000671117682 1129135106 /nfs/dbraw/zinc/13/51/06/1129135106.db2.gz KXSIAVQKGWCBEQ-YOEHRIQHSA-N 0 1 291.398 3.981 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)s2)CC[C@@H]1C(=O)[O-] ZINC000312503308 1123638354 /nfs/dbraw/zinc/63/83/54/1123638354.db2.gz KUAJIFJCMNBUAL-YPMHNXCESA-N 0 1 295.448 3.588 20 0 CHADMN CCCc1nc(C)c(CN2CCC[C@H]2c2cccnc2)o1 ZINC000428309453 1123643670 /nfs/dbraw/zinc/64/36/70/1123643670.db2.gz MAHAQJQTKFQBPD-HNNXBMFYSA-N 0 1 285.391 3.668 20 0 CHADMN Cc1nc2ccc(CN[C@@H](C)c3ccns3)cc2s1 ZINC000858317137 1123644290 /nfs/dbraw/zinc/64/42/90/1123644290.db2.gz RNOJRPWZPINIBG-VIFPVBQESA-N 0 1 289.429 3.912 20 0 CHADMN Cc1[nH]ncc1CNc1cccc(SC(F)(F)F)c1 ZINC000858318533 1123644544 /nfs/dbraw/zinc/64/45/44/1123644544.db2.gz MAXXUXROLHOLHC-UHFFFAOYSA-N 0 1 287.310 3.942 20 0 CHADMN Cc1csc([C@H](C)Nc2cc3c(cn2)CCCC3)n1 ZINC000858421147 1123653204 /nfs/dbraw/zinc/65/32/04/1123653204.db2.gz ZMBBIQGYJMWSKK-NSHDSACASA-N 0 1 273.405 3.898 20 0 CHADMN CC(C)c1nnc(CN[C@@H]2CCCCC23CCCC3)o1 ZINC000329806504 1123654957 /nfs/dbraw/zinc/65/49/57/1123654957.db2.gz LIKBTTLHMIKQHM-CYBMUJFWSA-N 0 1 277.412 3.786 20 0 CHADMN CCc1nc2c(s1)[C@H](N[C@H](C)c1ccns1)CCC2 ZINC000858578353 1123664605 /nfs/dbraw/zinc/66/46/05/1123664605.db2.gz UULAATNLHSICRK-NXEZZACHSA-N 0 1 293.461 3.890 20 0 CHADMN CCc1nc2c(s1)[C@@H](N[C@H](C)c1ccns1)CCC2 ZINC000858578356 1123664956 /nfs/dbraw/zinc/66/49/56/1123664956.db2.gz UULAATNLHSICRK-ZJUUUORDSA-N 0 1 293.461 3.890 20 0 CHADMN CCc1cnc(CN2CCC[C@@H](CC)CC2)s1 ZINC000346192118 1123671578 /nfs/dbraw/zinc/67/15/78/1123671578.db2.gz CZLCOMXSAVTWOH-GFCCVEGCSA-N 0 1 252.427 3.718 20 0 CHADMN CCCOC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000858928035 1123677209 /nfs/dbraw/zinc/67/72/09/1123677209.db2.gz SHAOFZFXYASCBL-CQSZACIVSA-N 0 1 287.363 3.555 20 0 CHADMN CC(C)N(Cc1cccc(F)c1)Cc1ccnc(F)c1 ZINC000859090678 1123683187 /nfs/dbraw/zinc/68/31/87/1123683187.db2.gz PUOBEAPLPFZZKW-UHFFFAOYSA-N 0 1 276.330 3.770 20 0 CHADMN FC1(F)CC[C@H](CN[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000281205534 1123687451 /nfs/dbraw/zinc/68/74/51/1123687451.db2.gz TXRWLXDQIOAVCO-GXTWGEPZSA-N 0 1 291.345 3.524 20 0 CHADMN CCN(CCc1ccccn1)Cc1cc(O)ccc1Cl ZINC000859174215 1123688570 /nfs/dbraw/zinc/68/85/70/1123688570.db2.gz WGUXLYNGYGBBQP-UHFFFAOYSA-N 0 1 290.794 3.505 20 0 CHADMN Fc1cc(CN2CCC[C@H]2/C=C\c2ccccc2)ccn1 ZINC000859242952 1123691864 /nfs/dbraw/zinc/69/18/64/1123691864.db2.gz QNMBPMIVRLEXOI-JJEJIETFSA-N 0 1 282.362 3.899 20 0 CHADMN Cc1ccccc1[C@H](NCc1cc(Cl)n(C)n1)C1CC1 ZINC000859237950 1123692070 /nfs/dbraw/zinc/69/20/70/1123692070.db2.gz ZUOHPJCETQJJGH-MRXNPFEDSA-N 0 1 289.810 3.623 20 0 CHADMN Fc1cc(CN2CCC(F)(c3ccccc3)CC2)ccn1 ZINC000859283147 1123693662 /nfs/dbraw/zinc/69/36/62/1123693662.db2.gz IZQZWWNQTYFAIO-UHFFFAOYSA-N 0 1 288.341 3.682 20 0 CHADMN Fc1cc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)ccn1 ZINC000859314836 1123695216 /nfs/dbraw/zinc/69/52/16/1123695216.db2.gz AFOUHJPERUXEPJ-CQSZACIVSA-N 0 1 290.769 3.864 20 0 CHADMN Fc1cc(CN2CC[C@@H](c3cccc(Cl)c3)C2)ccn1 ZINC000859314836 1123695219 /nfs/dbraw/zinc/69/52/19/1123695219.db2.gz AFOUHJPERUXEPJ-CQSZACIVSA-N 0 1 290.769 3.864 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1cc(C)no1 ZINC000346604554 1123700355 /nfs/dbraw/zinc/70/03/55/1123700355.db2.gz IXTHJMIAMKOKTN-KRWDZBQOSA-N 0 1 286.375 3.501 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccco1)c1cc2c(s1)CCC2 ZINC000346628509 1123702040 /nfs/dbraw/zinc/70/20/40/1123702040.db2.gz YYVQPZHJEXFAIW-DGCLKSJQSA-N 0 1 291.416 3.604 20 0 CHADMN Fc1ccc([C@H](NC2CCC2)c2cccnc2)c(F)c1 ZINC000346626148 1123702394 /nfs/dbraw/zinc/70/23/94/1123702394.db2.gz GYSJHNHSVSBZDF-MRXNPFEDSA-N 0 1 274.314 3.591 20 0 CHADMN Cc1ccnc(CN2CCCC3(CCCCC3)CC2)n1 ZINC000346643474 1123703967 /nfs/dbraw/zinc/70/39/67/1123703967.db2.gz MXLIVZCKVOWJPA-UHFFFAOYSA-N 0 1 273.424 3.721 20 0 CHADMN CCN(CC)C(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000346742240 1123710828 /nfs/dbraw/zinc/71/08/28/1123710828.db2.gz FOQMFGMECFYUMC-OAHLLOKOSA-N 0 1 298.430 3.529 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000859812530 1123711248 /nfs/dbraw/zinc/71/12/48/1123711248.db2.gz QUFOJIHOPLVXGT-JYJNAYRXSA-N 0 1 293.451 3.802 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@H]1CCCOc2ccccc21 ZINC000281498579 1123713481 /nfs/dbraw/zinc/71/34/81/1123713481.db2.gz WPBNVZWFIZGNMA-KRWDZBQOSA-N 0 1 299.418 3.776 20 0 CHADMN CCc1ccc(C[N@H+]2CCc3sccc3C2)cc1 ZINC000522711012 1123719781 /nfs/dbraw/zinc/71/97/81/1123719781.db2.gz HACVVHHGNPKOIR-UHFFFAOYSA-N 0 1 257.402 3.869 20 0 CHADMN CCc1ccc(CN2CCc3sccc3C2)cc1 ZINC000522711012 1123719783 /nfs/dbraw/zinc/71/97/83/1123719783.db2.gz HACVVHHGNPKOIR-UHFFFAOYSA-N 0 1 257.402 3.869 20 0 CHADMN CCN(CCOC1CCC1)Cc1ccccc1Cl ZINC000346835719 1123725216 /nfs/dbraw/zinc/72/52/16/1123725216.db2.gz CCCNDDOYHXUJLO-UHFFFAOYSA-N 0 1 267.800 3.731 20 0 CHADMN CCN(Cc1cncc(F)c1)[C@@H](C)c1cccc(OC)c1 ZINC000346834944 1123725303 /nfs/dbraw/zinc/72/53/03/1123725303.db2.gz ZCKFPCMJWWSWHZ-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cncc(F)c2)cc1 ZINC000346871876 1123728765 /nfs/dbraw/zinc/72/87/65/1123728765.db2.gz PAVRNUBBHQXZEL-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CCCCCC[C@H](C)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000201618799 1123736116 /nfs/dbraw/zinc/73/61/16/1123736116.db2.gz ZWAZUGIWQWOKHU-NSHDSACASA-N 0 1 274.368 3.503 20 0 CHADMN C[C@H](OC(=O)C12CC(C1)C2)c1nc2ccc(Cl)cc2[nH]1 ZINC000860540395 1123737303 /nfs/dbraw/zinc/73/73/03/1123737303.db2.gz ZUUWOIQNJQCADB-GMSXMYEBSA-N 0 1 290.750 3.621 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N1CC[C@@](C)(C(N)=O)C1 ZINC000336310935 1123759755 /nfs/dbraw/zinc/75/97/55/1123759755.db2.gz JIIDDQAZLCOSDZ-LKFCYVNXSA-N 0 1 284.762 3.787 20 0 CHADMN Cc1nc(CCN2Cc3ccccc3[C@H]2C)cs1 ZINC000336379771 1123767112 /nfs/dbraw/zinc/76/71/12/1123767112.db2.gz ANFDELLPLOGPRX-LLVKDONJSA-N 0 1 258.390 3.571 20 0 CHADMN CC[C@]1(CO)CCCN1Cc1cc(Cl)ccc1Cl ZINC000475129224 1123796782 /nfs/dbraw/zinc/79/67/82/1123796782.db2.gz PNZYEINOULJYIQ-CQSZACIVSA-N 0 1 288.218 3.730 20 0 CHADMN Cc1ncc(CN2CCCC[C@H]2c2ccccc2)o1 ZINC000862326740 1123799883 /nfs/dbraw/zinc/79/98/83/1123799883.db2.gz SPZWEWPEEXNCDX-INIZCTEOSA-N 0 1 256.349 3.710 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN2CCC(O)(C3CCC3)CC2)o1 ZINC000897033645 1123801839 /nfs/dbraw/zinc/80/18/39/1123801839.db2.gz GBICSAKMYSIINI-XJKSGUPXSA-N 0 1 289.419 3.530 20 0 CHADMN Brc1cscc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000414564788 1129146844 /nfs/dbraw/zinc/14/68/44/1129146844.db2.gz CZUCVHDDPUXGQN-MWLCHTKSSA-N 0 1 298.205 3.749 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2sccc2Br)C1 ZINC000043501832 1123818522 /nfs/dbraw/zinc/81/85/22/1123818522.db2.gz SJVVASRSJOMSJI-SECBINFHSA-N 0 1 274.227 3.743 20 0 CHADMN C[C@@H]1CCCN(Cc2sccc2Br)C1 ZINC000043501832 1123818527 /nfs/dbraw/zinc/81/85/27/1123818527.db2.gz SJVVASRSJOMSJI-SECBINFHSA-N 0 1 274.227 3.743 20 0 CHADMN C[C@H]1CCCC[N@H+]1Cc1sccc1Br ZINC000043501871 1123818751 /nfs/dbraw/zinc/81/87/51/1123818751.db2.gz UMSAJSHJXNMRDN-VIFPVBQESA-N 0 1 274.227 3.885 20 0 CHADMN C[C@H]1CCCCN1Cc1sccc1Br ZINC000043501871 1123818755 /nfs/dbraw/zinc/81/87/55/1123818755.db2.gz UMSAJSHJXNMRDN-VIFPVBQESA-N 0 1 274.227 3.885 20 0 CHADMN C[C@H](C1CC1)[N@@H+](C)Cc1sccc1Br ZINC000043511833 1123819515 /nfs/dbraw/zinc/81/95/15/1123819515.db2.gz BDMRXFZFYRUBOU-MRVPVSSYSA-N 0 1 274.227 3.741 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1sccc1Br ZINC000043511833 1123819519 /nfs/dbraw/zinc/81/95/19/1123819519.db2.gz BDMRXFZFYRUBOU-MRVPVSSYSA-N 0 1 274.227 3.741 20 0 CHADMN CN(C(=O)c1c(O)cccc1F)c1ccc2ccccc2c1 ZINC000119062845 1123826779 /nfs/dbraw/zinc/82/67/79/1123826779.db2.gz QCEAHYJDFMSZSG-UHFFFAOYSA-N 0 1 295.313 3.961 20 0 CHADMN C[C@H]1CC[C@@H](N(C)Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC000339045012 1123829660 /nfs/dbraw/zinc/82/96/60/1123829660.db2.gz RJJKFUDSERFYTF-DZGCQCFKSA-N 0 1 269.392 3.697 20 0 CHADMN C[C@H](CN[C@H](C)c1nc2c(s1)CCCC2)C(F)(F)F ZINC000475321301 1123837485 /nfs/dbraw/zinc/83/74/85/1123837485.db2.gz YDMQZOGCWVPSQI-RKDXNWHRSA-N 0 1 292.370 3.871 20 0 CHADMN Cc1nc2ccc(NC(=O)C[C@@H]3CCC(F)(F)C3)cc2[nH]1 ZINC000797805102 1123840227 /nfs/dbraw/zinc/84/02/27/1123840227.db2.gz GUPBPYONHOUOQU-JTQLQIEISA-N 0 1 293.317 3.635 20 0 CHADMN CCC[C@@H](NCc1nc(Cc2ccccc2)no1)C1CCC1 ZINC000324926237 1123846923 /nfs/dbraw/zinc/84/69/23/1123846923.db2.gz SXJFEBWTQHNWSA-MRXNPFEDSA-N 0 1 299.418 3.719 20 0 CHADMN Cc1ccccc1[C@@H](N[C@H]1CCCn2ccnc21)C1CC1 ZINC000655711609 1123857043 /nfs/dbraw/zinc/85/70/43/1123857043.db2.gz JRRSXHUOLCHNGZ-IRXDYDNUSA-N 0 1 281.403 3.767 20 0 CHADMN COC(CNC(c1ccccc1C)c1ccccc1C)OC ZINC000119506176 1123873756 /nfs/dbraw/zinc/87/37/56/1123873756.db2.gz GWFPOPZXSIRYHA-UHFFFAOYSA-N 0 1 299.414 3.601 20 0 CHADMN COc1ccc(CN(C)Cc2cncc(Cl)c2)cc1C ZINC000621254687 1129151619 /nfs/dbraw/zinc/15/16/19/1129151619.db2.gz GDFHEIZEZGYUFU-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN Cc1noc(C)c1CCNc1ccnc2cc(F)ccc21 ZINC000301281112 1123887445 /nfs/dbraw/zinc/88/74/45/1123887445.db2.gz QBRROVCWOCGANA-UHFFFAOYSA-N 0 1 285.322 3.633 20 0 CHADMN CC(C)=CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000119703336 1123901787 /nfs/dbraw/zinc/90/17/87/1123901787.db2.gz OVTZQBXCGSCKSO-UHFFFAOYSA-N 0 1 269.348 3.735 20 0 CHADMN C[C@@]1(CNc2ccnc3cc(F)ccc32)CCCC[C@@H]1O ZINC000301474326 1123903110 /nfs/dbraw/zinc/90/31/10/1123903110.db2.gz AAHXGBXFEINMRA-IRXDYDNUSA-N 0 1 288.366 3.727 20 0 CHADMN COC(C)(C)C[C@H](C)Nc1ccnc2cc(F)ccc21 ZINC000301480259 1123904107 /nfs/dbraw/zinc/90/41/07/1123904107.db2.gz YIOXMMWEALCMJT-NSHDSACASA-N 0 1 276.355 3.989 20 0 CHADMN C[N@@H+](Cc1cncc(Cl)c1)CC1(c2ccccc2)CC1 ZINC000621284241 1129157808 /nfs/dbraw/zinc/15/78/08/1129157808.db2.gz MSUSGSQYTBABSE-UHFFFAOYSA-N 0 1 286.806 3.899 20 0 CHADMN CCCCCN(C(=O)c1cccc2[nH]cnc21)C(C)C ZINC000159087966 1129157926 /nfs/dbraw/zinc/15/79/26/1129157926.db2.gz HYSPVNSTPQIYOG-UHFFFAOYSA-N 0 1 273.380 3.604 20 0 CHADMN COc1ccc(CN2CC[C@]3(CC3(F)F)C2)cc1Cl ZINC000649907410 1129157949 /nfs/dbraw/zinc/15/79/49/1129157949.db2.gz QTPVRKDSGDZKJH-ZDUSSCGKSA-N 0 1 287.737 3.580 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N(C)CCOC(C)(C)C ZINC000621281471 1129158104 /nfs/dbraw/zinc/15/81/04/1129158104.db2.gz QMRQFAMVIAYOLO-LLVKDONJSA-N 0 1 271.351 3.773 20 0 CHADMN Cc1cccc(O[C@@H](C)CNc2cc(C)ccn2)c1 ZINC000301644240 1123920645 /nfs/dbraw/zinc/92/06/45/1123920645.db2.gz NECOLZVXMJRHDZ-AWEZNQCLSA-N 0 1 256.349 3.578 20 0 CHADMN Cc1ccnc(NCCCCN(C)c2ccccc2)c1 ZINC000301655819 1123921344 /nfs/dbraw/zinc/92/13/44/1123921344.db2.gz RXJMJBGTEZFLOQ-UHFFFAOYSA-N 0 1 269.392 3.719 20 0 CHADMN CCO[C@@H](CCNc1cc(C)ccn1)C1CCCC1 ZINC000301655767 1123921443 /nfs/dbraw/zinc/92/14/43/1123921443.db2.gz RTEZXRVFXXFAHP-HNNXBMFYSA-N 0 1 262.397 3.787 20 0 CHADMN CC(C)[C@H](NC/C(Cl)=C\Cl)[C@@H](O)c1ccccc1 ZINC000794601770 1123921697 /nfs/dbraw/zinc/92/16/97/1123921697.db2.gz FEJLIIUQRFPPML-QZKSUSQMSA-N 0 1 288.218 3.653 20 0 CHADMN CCS[C@H]1CCC[C@@H]1NCc1ncc(C(C)C)o1 ZINC000794606070 1123921977 /nfs/dbraw/zinc/92/19/77/1123921977.db2.gz SMXUDDLGTQLHEG-AAEUAGOBSA-N 0 1 268.426 3.562 20 0 CHADMN Cc1sc(C)c2c1[nH]c([C@@H]1CSCCS1)nc2=O ZINC000864354572 1123924342 /nfs/dbraw/zinc/92/43/42/1123924342.db2.gz GXMBCCIZZIVTTN-QMMMGPOBSA-N 0 1 298.458 3.535 20 0 CHADMN CCc1ccnc(-c2nc(=O)c3c(C)sc(C)c3[nH]2)c1 ZINC000864355160 1123924362 /nfs/dbraw/zinc/92/43/62/1123924362.db2.gz LFCSBHHIQZFERO-UHFFFAOYSA-N 0 1 285.372 3.638 20 0 CHADMN Cc1cc(NCCOc2cccnc2)c2cc(F)ccc2n1 ZINC000301696065 1123924962 /nfs/dbraw/zinc/92/49/62/1123924962.db2.gz YUXZANKHYBBANQ-UHFFFAOYSA-N 0 1 297.333 3.568 20 0 CHADMN Cc1conc1NCc1cc(Cl)cc(Cl)c1O ZINC000184042700 1129153813 /nfs/dbraw/zinc/15/38/13/1129153813.db2.gz QTTKLLBDPVFGJR-UHFFFAOYSA-N 0 1 273.119 3.608 20 0 CHADMN CCN(CC1CCC1)Cn1cc(C(C)C)n(C)c1=S ZINC000794689160 1123932999 /nfs/dbraw/zinc/93/29/99/1123932999.db2.gz YMZBRQRJIDHXTI-UHFFFAOYSA-N 0 1 281.469 3.759 20 0 CHADMN Cc1c(C)c(C)c(CNc2ncnc3[nH]cnc32)c(C)c1C ZINC000301792580 1123933185 /nfs/dbraw/zinc/93/31/85/1123933185.db2.gz RJCGPFRYTHRPFW-UHFFFAOYSA-N 0 1 295.390 3.507 20 0 CHADMN CC(C)[C@@H](O)C(C)(C)CNc1ccnc2cc(F)ccc21 ZINC000301832815 1123936750 /nfs/dbraw/zinc/93/67/50/1123936750.db2.gz UKYJMKTWBIBPFM-MRXNPFEDSA-N 0 1 290.382 3.829 20 0 CHADMN C[C@@H]1C[C@@H](Nc2ccnc3cc(F)ccc32)C[C@H](C)O1 ZINC000301924356 1123944376 /nfs/dbraw/zinc/94/43/76/1123944376.db2.gz GOZHZFBCCMHLIC-PTEHBNRSSA-N 0 1 274.339 3.742 20 0 CHADMN CCC=C(F)C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000864761364 1123944702 /nfs/dbraw/zinc/94/47/02/1123944702.db2.gz HXCATZLNRAFFNB-OIOXUXFSSA-N 0 1 289.354 3.640 20 0 CHADMN Cc1ccc2[nH+]ccc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000302108133 1123955165 /nfs/dbraw/zinc/95/51/65/1123955165.db2.gz AVNJTFKOYAOGAI-CQSZACIVSA-N 0 1 292.386 3.650 20 0 CHADMN COc1cc(CN2CCCC[C@H]2C)cc(Cl)c1OC ZINC000158932002 1129155917 /nfs/dbraw/zinc/15/59/17/1129155917.db2.gz CKKWOHOEFAECJW-LLVKDONJSA-N 0 1 283.799 3.732 20 0 CHADMN CSc1ccc([C@H](C)NCc2cccnc2F)cc1 ZINC000794831113 1123963371 /nfs/dbraw/zinc/96/33/71/1123963371.db2.gz CMVGNVCDMNHQAF-NSHDSACASA-N 0 1 276.380 3.793 20 0 CHADMN OC[C@@H](Nc1ccnc2cc(F)ccc21)c1ccsc1 ZINC000302304170 1123965892 /nfs/dbraw/zinc/96/58/92/1123965892.db2.gz ZCMXPJVFXLBUCI-OAHLLOKOSA-N 0 1 288.347 3.581 20 0 CHADMN Cc1nc2c(n1Cc1c(Cl)cncc1Cl)CCCC2 ZINC000865368254 1123974703 /nfs/dbraw/zinc/97/47/03/1123974703.db2.gz PETFWBHAFBCNRI-UHFFFAOYSA-N 0 1 296.201 3.820 20 0 CHADMN Cc1cc(N(C)[C@@H](C)c2cnn(C)c2)c2cc(F)ccc2n1 ZINC000302645775 1123975702 /nfs/dbraw/zinc/97/57/02/1123975702.db2.gz JBBLWOGQPRYPII-LBPRGKRZSA-N 0 1 298.365 3.613 20 0 CHADMN CC(C)OCCCN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000159007617 1129157186 /nfs/dbraw/zinc/15/71/86/1129157186.db2.gz GEEPQLHKVQDVAY-IBGZPJMESA-N 0 1 298.430 3.708 20 0 CHADMN Cc1cc(C)cc([C@H](C)NCc2cccnc2F)c1 ZINC000794837906 1123980877 /nfs/dbraw/zinc/98/08/77/1123980877.db2.gz WHBKNVUFGYUPOM-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN CCOc1cc(F)cc(CNCc2ccc(Cl)nc2)c1 ZINC000865418200 1123982204 /nfs/dbraw/zinc/98/22/04/1123982204.db2.gz FFRGQOZKPLKFCA-UHFFFAOYSA-N 0 1 294.757 3.563 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cccnc1F)CCC2 ZINC000794836880 1123984282 /nfs/dbraw/zinc/98/42/82/1123984282.db2.gz RSKJTIFGDJNHRU-INIZCTEOSA-N 0 1 270.351 3.696 20 0 CHADMN CCCn1cc(CN[C@@H](c2ccccc2)C2CCCC2)nn1 ZINC000865435583 1123984287 /nfs/dbraw/zinc/98/42/87/1123984287.db2.gz PRJYHEFSSRRBIJ-SFHVURJKSA-N 0 1 298.434 3.709 20 0 CHADMN Cc1ncc([C@@H](C)N(Cc2cccs2)C2CC2)c(C)n1 ZINC000637899494 1129236056 /nfs/dbraw/zinc/23/60/56/1129236056.db2.gz HZYRDAFCWAXHRH-GFCCVEGCSA-N 0 1 287.432 3.881 20 0 CHADMN Cc1cccc(C(C)(C)NCc2cc3c(cc[nH]c3=O)o2)c1 ZINC000865468878 1123987482 /nfs/dbraw/zinc/98/74/82/1123987482.db2.gz MDZOANJTGZBEGB-UHFFFAOYSA-N 0 1 296.370 3.867 20 0 CHADMN CC(C)(C)Oc1cccc(CN[C@H]2CCCc3c[nH]nc32)c1 ZINC000865494632 1123989708 /nfs/dbraw/zinc/98/97/08/1123989708.db2.gz FXSHMGIQGDOKDW-INIZCTEOSA-N 0 1 299.418 3.754 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1cncc(Cl)c1 ZINC000621271203 1129159251 /nfs/dbraw/zinc/15/92/51/1129159251.db2.gz ZNHHCDHSMWECTP-HNNXBMFYSA-N 0 1 275.783 3.713 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1NCc1cn(C2CC2)cn1 ZINC000865513534 1123991285 /nfs/dbraw/zinc/99/12/85/1123991285.db2.gz IPXDYBLTILRDJK-FZKQIMNGSA-N 0 1 281.403 3.631 20 0 CHADMN FC1(CCNCc2c(Cl)cncc2Cl)CCC1 ZINC000865571089 1123996425 /nfs/dbraw/zinc/99/64/25/1123996425.db2.gz RELMFZCBILPLKE-UHFFFAOYSA-N 0 1 277.170 3.760 20 0 CHADMN Clc1cnc2oc(CNc3nccn3C3CC3)cc2c1 ZINC000840886983 1124004100 /nfs/dbraw/zinc/00/41/00/1124004100.db2.gz QEWNLALUYBSJLH-UHFFFAOYSA-N 0 1 288.738 3.625 20 0 CHADMN CCCc1ccc(CN(C)Cc2cnccc2C)cc1 ZINC000475553116 1124008635 /nfs/dbraw/zinc/00/86/35/1124008635.db2.gz XVYHOWYWBNUSHF-UHFFFAOYSA-N 0 1 268.404 3.975 20 0 CHADMN C[C@H]1CCN(Cc2cncc(Cl)c2)CC12CCC2 ZINC000621272650 1129160415 /nfs/dbraw/zinc/16/04/15/1129160415.db2.gz YTDMNOJNCXQQRX-LBPRGKRZSA-N 0 1 264.800 3.747 20 0 CHADMN C[C@H](NCc1ccc(F)cc1)c1ccc(Cl)nc1 ZINC000179092512 1124014386 /nfs/dbraw/zinc/01/43/86/1124014386.db2.gz FWEFUVQMLJPGAB-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@H]3CCCC4(CC4)C3)cc2[nH]1 ZINC000665796145 1124014470 /nfs/dbraw/zinc/01/44/70/1124014470.db2.gz NUAOZCSIXNKYLX-LBPRGKRZSA-N 0 1 283.375 3.780 20 0 CHADMN CCc1cnc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)s1 ZINC000865830350 1124018463 /nfs/dbraw/zinc/01/84/63/1124018463.db2.gz NVQUNXGZXBHBNJ-GHMZBOCLSA-N 0 1 290.354 3.692 20 0 CHADMN FC(F)(F)[C@@H]1CC=CC[C@H]1NCc1ccncc1Cl ZINC000865830099 1124019062 /nfs/dbraw/zinc/01/90/62/1124019062.db2.gz KQLWCOCOIPYBFD-ZYHUDNBSSA-N 0 1 290.716 3.722 20 0 CHADMN C[C@H](NCc1ccc(C2CCCC2)cc1)c1ccnn1C ZINC000865839492 1124020554 /nfs/dbraw/zinc/02/05/54/1124020554.db2.gz YHCXJQMHJNDYCJ-AWEZNQCLSA-N 0 1 283.419 3.929 20 0 CHADMN Cc1ccc(CN(C)Cc2ccccc2N2CCCC2)nc1 ZINC000159202233 1129161264 /nfs/dbraw/zinc/16/12/64/1129161264.db2.gz XWGVRVVWZOVJHQ-UHFFFAOYSA-N 0 1 295.430 3.622 20 0 CHADMN COc1cc(C)cc(CN[C@H](C)c2ccccc2)c1OC ZINC000885894425 1124026183 /nfs/dbraw/zinc/02/61/83/1124026183.db2.gz UCIGVPAMLVQKOK-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN COc1ccc(CN2CCCC[C@H]2c2ccccc2)nc1 ZINC000338306271 1124026815 /nfs/dbraw/zinc/02/68/15/1124026815.db2.gz UEQWZUCGLJZQIU-SFHVURJKSA-N 0 1 282.387 3.817 20 0 CHADMN CC1=C(C)CN(Cn2ccc(-c3ccccc3)n2)CC1 ZINC000794889514 1124028874 /nfs/dbraw/zinc/02/88/74/1124028874.db2.gz GIFWROGXHKXLNV-UHFFFAOYSA-N 0 1 267.376 3.550 20 0 CHADMN CC1(C2CC2)CCN(Cc2cncc(Cl)c2)CC1 ZINC000621296433 1129161865 /nfs/dbraw/zinc/16/18/65/1129161865.db2.gz SBBASMGDIYSGAQ-UHFFFAOYSA-N 0 1 264.800 3.747 20 0 CHADMN CCc1ccc([C@@H](CC)NCc2nnc3ccccn32)cc1 ZINC000193086189 1124033316 /nfs/dbraw/zinc/03/33/16/1124033316.db2.gz IIRGJVOBQOTYLU-MRXNPFEDSA-N 0 1 294.402 3.533 20 0 CHADMN Cc1cc(CN[C@H]2c3cc(F)ccc3CC[C@@H]2C)on1 ZINC000866261903 1124042436 /nfs/dbraw/zinc/04/24/36/1124042436.db2.gz YCRMLMSKEDGCOA-MGPLVRAMSA-N 0 1 274.339 3.535 20 0 CHADMN CCCOc1ccc(CN[C@H](c2ccccn2)C(C)C)cn1 ZINC000866262987 1124043681 /nfs/dbraw/zinc/04/36/81/1124043681.db2.gz KGFWLCFRDWCIHP-SFHVURJKSA-N 0 1 299.418 3.752 20 0 CHADMN CCCCCN(Cc1nncn1-c1ccccc1)C(C)C ZINC000444600641 1124044956 /nfs/dbraw/zinc/04/49/56/1124044956.db2.gz UDJKUAICDIAQTM-UHFFFAOYSA-N 0 1 286.423 3.668 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1nncn1-c1ccccc1)C1CC1 ZINC000444607730 1124045764 /nfs/dbraw/zinc/04/57/64/1124045764.db2.gz JHGVJQDHFPLOOB-HUUCEWRRSA-N 0 1 298.434 3.666 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3cccc4cccc2c43)ncn1 ZINC000866308943 1124049954 /nfs/dbraw/zinc/04/99/54/1124049954.db2.gz ABOJFYCKHSVOGI-GOSISDBHSA-N 0 1 289.382 3.715 20 0 CHADMN C[C@@H](NCc1ccc(-c2ccsc2)cc1)c1cnn(C)c1 ZINC000444686289 1124051388 /nfs/dbraw/zinc/05/13/88/1124051388.db2.gz VDXXRIVBCRCZPG-CYBMUJFWSA-N 0 1 297.427 3.999 20 0 CHADMN CC(C)(F)CN[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000631665059 1124053466 /nfs/dbraw/zinc/05/34/66/1124053466.db2.gz VMGLNSCVNVHULL-GFCCVEGCSA-N 0 1 290.304 3.816 20 0 CHADMN CC[C@H](NCc1nccnc1C)c1ccc(Cl)cc1 ZINC000621328128 1129163168 /nfs/dbraw/zinc/16/31/68/1129163168.db2.gz HKDFYZJOXSPGLO-AWEZNQCLSA-N 0 1 275.783 3.679 20 0 CHADMN COCC(C)(C)CCCN[C@@H]1c2ccccc2OC[C@@H]1F ZINC000866355917 1124056152 /nfs/dbraw/zinc/05/61/52/1124056152.db2.gz GQFZTZIMPPRRSX-GOEBONIOSA-N 0 1 295.398 3.501 20 0 CHADMN Cc1cc(C)c(CN[C@H](c2ccccn2)C(C)C)cn1 ZINC000866368812 1124058591 /nfs/dbraw/zinc/05/85/91/1124058591.db2.gz HDVWXOWJXNUQFI-KRWDZBQOSA-N 0 1 269.392 3.580 20 0 CHADMN CCC[C@]1(CO)CCCN1Cc1c(F)cccc1Cl ZINC000444769193 1124061764 /nfs/dbraw/zinc/06/17/64/1124061764.db2.gz ZAYXUSLWOPGZCY-OAHLLOKOSA-N 0 1 285.790 3.606 20 0 CHADMN CCc1cccc(NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)c1 ZINC000195600711 1124066239 /nfs/dbraw/zinc/06/62/39/1124066239.db2.gz LADYVEDRYWLGCK-UHFFFAOYSA-N 0 1 295.342 3.793 20 0 CHADMN Cc1cc(CN2CCc3sccc3C2)c(C)s1 ZINC000195673946 1124066525 /nfs/dbraw/zinc/06/65/25/1124066525.db2.gz DRGCGHZFDIVRCM-UHFFFAOYSA-N 0 1 263.431 3.985 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(F)c3)[nH]n2)o1 ZINC000195600562 1124066665 /nfs/dbraw/zinc/06/66/65/1124066665.db2.gz HMERIEAIFRKSGM-UHFFFAOYSA-N 0 1 299.305 3.678 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H]2CC(C)(C)CC[C@H]2O)cs1 ZINC000866453297 1124067958 /nfs/dbraw/zinc/06/79/58/1124067958.db2.gz UUSUNQMZYZMIEG-OUCADQQQSA-N 0 1 296.480 3.857 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1cc2cnccc2o1 ZINC000866452173 1124068390 /nfs/dbraw/zinc/06/83/90/1124068390.db2.gz YAHNVFQIGPAXHM-WCFLWFBJSA-N 0 1 262.328 3.759 20 0 CHADMN Cc1nccnc1CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000621333805 1129164157 /nfs/dbraw/zinc/16/41/57/1129164157.db2.gz RJCYRBNOQRHKBC-KRWDZBQOSA-N 0 1 285.366 3.555 20 0 CHADMN CC[C@@H](NCc1nccnc1C)c1ccc(Cl)s1 ZINC000621335776 1129164287 /nfs/dbraw/zinc/16/42/87/1129164287.db2.gz YUSRSLAIOIPRDC-SNVBAGLBSA-N 0 1 281.812 3.741 20 0 CHADMN Cc1ccc2nc(CN[C@H](c3cccs3)C3CC3)cn2c1 ZINC000544397863 1124074528 /nfs/dbraw/zinc/07/45/28/1124074528.db2.gz MFFFVUCYEAPLLT-KRWDZBQOSA-N 0 1 297.427 3.945 20 0 CHADMN CC1(c2cccc(Cl)c2)CCN(Cc2cc[nH]n2)CC1 ZINC000475621728 1124074628 /nfs/dbraw/zinc/07/46/28/1124074628.db2.gz GPZQRFGHERCKPW-UHFFFAOYSA-N 0 1 289.810 3.617 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](C)c2cnn(C(C)C)c2C)s1 ZINC000631708894 1124075094 /nfs/dbraw/zinc/07/50/94/1124075094.db2.gz RCNQSFJOIMLNHP-QWRGUYRKSA-N 0 1 292.452 3.949 20 0 CHADMN Cc1occc1CN[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC001202521846 1124088856 /nfs/dbraw/zinc/08/88/56/1124088856.db2.gz XETDGLOSSHDHRZ-LBPRGKRZSA-N 0 1 299.349 3.764 20 0 CHADMN Cc1nc([C@H](C)NC2([C@H]3CCCCO3)CCC2)cs1 ZINC000866621786 1124091459 /nfs/dbraw/zinc/09/14/59/1124091459.db2.gz JYKWHVDTRYVXMV-SMDDNHRTSA-N 0 1 280.437 3.594 20 0 CHADMN c1nc2c(s1)CCC[C@@H]2NC1([C@@H]2CCCCO2)CCC1 ZINC000866623541 1124091597 /nfs/dbraw/zinc/09/15/97/1124091597.db2.gz RRMFUSIMXJZUKG-JSGCOSHPSA-N 0 1 292.448 3.602 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1cccc2[nH]ccc21 ZINC000866632347 1124091990 /nfs/dbraw/zinc/09/19/90/1124091990.db2.gz YGGOFNLCHZXRBX-NSHDSACASA-N 0 1 283.375 3.878 20 0 CHADMN CCSCCCc1noc([C@@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000445748739 1124098368 /nfs/dbraw/zinc/09/83/68/1124098368.db2.gz LVFCZZPVISPIHE-FRRDWIJNSA-N 0 1 297.468 3.689 20 0 CHADMN CCCc1ccc(CNCc2nn(C)c3ccccc23)s1 ZINC000621344275 1129166213 /nfs/dbraw/zinc/16/62/13/1129166213.db2.gz BHGCCOJHYMAURN-UHFFFAOYSA-N 0 1 299.443 3.877 20 0 CHADMN CCC[C@H](C)N(C)Cc1ccn(-c2ccccc2F)n1 ZINC000445800401 1124101155 /nfs/dbraw/zinc/10/11/55/1124101155.db2.gz XYDALVCSWBVVGL-ZDUSSCGKSA-N 0 1 275.371 3.632 20 0 CHADMN c1ncn(Cc2ccccc2)c1CN1CCC[C@@H]2CCC[C@H]21 ZINC000445811640 1124102188 /nfs/dbraw/zinc/10/21/88/1124102188.db2.gz RPARUNKTYBUKQU-PKOBYXMFSA-N 0 1 295.430 3.696 20 0 CHADMN CC(C)c1noc([C@H](C)N2CCCCC(C)(C)C2)n1 ZINC000446065806 1124108467 /nfs/dbraw/zinc/10/84/67/1124108467.db2.gz DDRMYWZDNHXKAP-LBPRGKRZSA-N 0 1 265.401 3.766 20 0 CHADMN CCCc1nc(C)c(CN2C[C@H](C)C[C@H]2c2cccnc2)o1 ZINC000428430472 1124108534 /nfs/dbraw/zinc/10/85/34/1124108534.db2.gz MVRYOIMTTJDUOH-CJNGLKHVSA-N 0 1 299.418 3.914 20 0 CHADMN CC[C@@H](NCc1ccncc1C)c1ccccc1F ZINC000228657887 1124114386 /nfs/dbraw/zinc/11/43/86/1124114386.db2.gz XIQOVTSJQUKZAS-MRXNPFEDSA-N 0 1 258.340 3.770 20 0 CHADMN C[C@H]1CN(Cc2ccccc2)C[C@H](c2ccc(F)cc2)O1 ZINC000525123817 1124115613 /nfs/dbraw/zinc/11/56/13/1124115613.db2.gz BWNMKJLQTSRLCM-KBXCAEBGSA-N 0 1 285.362 3.788 20 0 CHADMN COc1ncccc1CSc1nc2ccc(C)cc2[nH]1 ZINC000446569548 1124115741 /nfs/dbraw/zinc/11/57/41/1124115741.db2.gz PDLQRUOYJVCNLL-UHFFFAOYSA-N 0 1 285.372 3.567 20 0 CHADMN Cc1nc(CN2CCC[C@@H](C(C)C)CC2)cs1 ZINC000525273083 1124119046 /nfs/dbraw/zinc/11/90/46/1124119046.db2.gz SPZUXLUPNVTPDL-CYBMUJFWSA-N 0 1 252.427 3.710 20 0 CHADMN CC(C)CCc1noc(CN2CCC[C@H]2C(C)(C)C)n1 ZINC000525271779 1124119228 /nfs/dbraw/zinc/11/92/28/1124119228.db2.gz PPKLLOPDUXDHHH-ZDUSSCGKSA-N 0 1 279.428 3.669 20 0 CHADMN CCc1cnc(CN2CCC[C@@]3(CC=CCC3)C2)o1 ZINC000525273103 1124119402 /nfs/dbraw/zinc/11/94/02/1124119402.db2.gz XHGFDRPMJFFHTE-INIZCTEOSA-N 0 1 260.381 3.559 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@@H](C)S1 ZINC000525272623 1124119424 /nfs/dbraw/zinc/11/94/24/1124119424.db2.gz DHTIDNBFCNAXDF-GHMZBOCLSA-N 0 1 255.814 3.666 20 0 CHADMN CC(C)(C)CCN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000446756547 1124121859 /nfs/dbraw/zinc/12/18/59/1124121859.db2.gz JUTCPIDQSWVDEE-AWEZNQCLSA-N 0 1 275.371 3.664 20 0 CHADMN CCC(CC)n1ccc(CN(C)CCc2ccccc2)n1 ZINC000446759944 1124122194 /nfs/dbraw/zinc/12/21/94/1124122194.db2.gz DMWDXETZLAWLIN-UHFFFAOYSA-N 0 1 285.435 3.919 20 0 CHADMN Cc1cnc([C@H](C)NCc2cccc3ncccc23)s1 ZINC000634967496 1129167485 /nfs/dbraw/zinc/16/74/85/1129167485.db2.gz PRKZDIXYMFQECO-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)c1ccncc1)c1ccncc1 ZINC000193200323 1124124824 /nfs/dbraw/zinc/12/48/24/1124124824.db2.gz UTICTDKFOFSHIL-KXBFYZLASA-N 0 1 289.382 3.917 20 0 CHADMN CCc1ccc(-c2noc(CN3C[C@@H](C)C[C@H]3C)n2)cc1 ZINC000525407718 1124126807 /nfs/dbraw/zinc/12/68/07/1124126807.db2.gz GTYKGDMPJHYBAM-QWHCGFSZSA-N 0 1 285.391 3.529 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2cc(F)ccc2Br)C1 ZINC000525411521 1124127469 /nfs/dbraw/zinc/12/74/69/1124127469.db2.gz UFJRRYGENJCQID-NXEZZACHSA-N 0 1 286.188 3.819 20 0 CHADMN C[C@@H](CN(C)Cc1cccc(Cl)c1)C(F)(F)F ZINC000441149022 1124128515 /nfs/dbraw/zinc/12/85/15/1124128515.db2.gz PCDVBDHDUDVBBY-VIFPVBQESA-N 0 1 265.706 3.970 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@@H]2c2ccsc2)o1 ZINC000428459735 1124129027 /nfs/dbraw/zinc/12/90/27/1124129027.db2.gz MIBAATYFDVFHQK-CYBMUJFWSA-N 0 1 276.405 3.944 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2n[nH]c(C(C)C)n2)cc1C ZINC000428459726 1124129448 /nfs/dbraw/zinc/12/94/48/1124129448.db2.gz MGVLHLPVRNWKLY-MRXNPFEDSA-N 0 1 298.434 3.882 20 0 CHADMN CN(C)Cc1ccsc1C(=O)NCCCCC(C)(C)C ZINC000446970151 1124130428 /nfs/dbraw/zinc/13/04/28/1124130428.db2.gz WKFLDHLFBGVHFU-UHFFFAOYSA-N 0 1 296.480 3.756 20 0 CHADMN CCCN(C)CC(=O)N1Cc2ccccc2-c2ccccc21 ZINC000621322570 1129167885 /nfs/dbraw/zinc/16/78/85/1129167885.db2.gz HWOQFAUHKROHPY-UHFFFAOYSA-N 0 1 294.398 3.542 20 0 CHADMN CCOc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1F ZINC000447124398 1124134370 /nfs/dbraw/zinc/13/43/70/1124134370.db2.gz ZSJDYTIOFAKYFN-UHFFFAOYSA-N 0 1 274.270 3.907 20 0 CHADMN Cc1nccnc1CN[C@@H](C)c1cccc(C2CC2)c1 ZINC000621358792 1129171968 /nfs/dbraw/zinc/17/19/68/1129171968.db2.gz UVEMGDRJGUHNFI-LBPRGKRZSA-N 0 1 267.376 3.513 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CCC(CF)CC1 ZINC001238785867 1131246753 /nfs/dbraw/zinc/24/67/53/1131246753.db2.gz VUWJUGPEKMSACT-UHFFFAOYSA-N 0 1 273.754 3.969 20 0 CHADMN CC(C)Oc1cc(CN(C)CC2CCCC2)c(F)cn1 ZINC001238798624 1131248710 /nfs/dbraw/zinc/24/87/10/1131248710.db2.gz FSRSRSVLTBXIBX-UHFFFAOYSA-N 0 1 280.387 3.630 20 0 CHADMN C[C@H](NCc1cccn1C1CC1)c1ccc(F)cc1F ZINC001119339609 1131251213 /nfs/dbraw/zinc/25/12/13/1131251213.db2.gz ITAKLERMGRZSSN-NSHDSACASA-N 0 1 276.330 3.952 20 0 CHADMN CC(C)[C@H]1COCCN1[C@H]1CCc2cccc(Cl)c2C1 ZINC001170934907 1131257892 /nfs/dbraw/zinc/25/78/92/1131257892.db2.gz NYLIHOMHZMDADO-WMLDXEAASA-N 0 1 293.838 3.554 20 0 CHADMN Cc1ccc(Cl)cc1-n1[nH]c(CC(F)(F)F)cc1=O ZINC001245952716 1131259999 /nfs/dbraw/zinc/25/99/99/1131259999.db2.gz TWTLBSGBCRNYEW-UHFFFAOYSA-N 0 1 290.672 3.645 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnc3onc(C)c3c2)c(C)o1 ZINC001119605036 1131260171 /nfs/dbraw/zinc/26/01/71/1131260171.db2.gz LGEDFUZWFVEOIB-SNVBAGLBSA-N 0 1 285.347 3.592 20 0 CHADMN CC(C)CCc1noc(CN2C[C@H](C)CCC[C@@H]2C)n1 ZINC000525637020 1124450747 /nfs/dbraw/zinc/45/07/47/1124450747.db2.gz WEILKUICPQOKGJ-KGLIPLIRSA-N 0 1 279.428 3.669 20 0 CHADMN COc1ccccc1CN[C@@H](c1ccccc1)C(C)(C)CO ZINC000428473862 1124455203 /nfs/dbraw/zinc/45/52/03/1124455203.db2.gz OWDUFUDUYKVRJC-SFHVURJKSA-N 0 1 299.414 3.545 20 0 CHADMN Cc1ccc(CN(C)CCc2nccs2)c(Cl)c1 ZINC000447311431 1124461368 /nfs/dbraw/zinc/46/13/68/1124461368.db2.gz HHIRULSHYSYUTD-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN CN(Cc1c(Cl)nc(Cl)n1C)C1CCCCCC1 ZINC000122066405 1124463082 /nfs/dbraw/zinc/46/30/82/1124463082.db2.gz TVSHYPQUPAWGQJ-UHFFFAOYSA-N 0 1 290.238 3.882 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3nc(Cl)ccc32)cc1F ZINC001119697364 1131261910 /nfs/dbraw/zinc/26/19/10/1131261910.db2.gz MEZSEADQTPTKOC-AWEZNQCLSA-N 0 1 290.769 3.960 20 0 CHADMN CC[C@@H]1[C@H](C)CCN1Cc1cncc(C(F)(F)F)c1 ZINC000361396897 1124470146 /nfs/dbraw/zinc/47/01/46/1124470146.db2.gz VPDHOVHGRLDQJU-ZWNOBZJWSA-N 0 1 272.314 3.721 20 0 CHADMN C[C@H](C1CC1)[N@@H+](Cc1occc1C(=O)[O-])Cc1ccccc1 ZINC000385188817 1124479470 /nfs/dbraw/zinc/47/94/70/1124479470.db2.gz LTJVIYAYWUKTMM-CYBMUJFWSA-N 0 1 299.370 3.779 20 0 CHADMN Cc1cc(C)cc([C@H]2CCN([C@@H](C)c3ncccn3)C2)c1 ZINC001119729639 1131262764 /nfs/dbraw/zinc/26/27/64/1131262764.db2.gz UOBCNCSKPWUUEJ-HOTGVXAUSA-N 0 1 281.403 3.644 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C)c2C)o1 ZINC000868858014 1124488454 /nfs/dbraw/zinc/48/84/54/1124488454.db2.gz GZGBIURHACSPKJ-BXGBBSSXSA-N 0 1 299.374 3.517 20 0 CHADMN CC[C@@H](NCc1ccc(COC)cc1)c1nc(C)cs1 ZINC000339084117 1124490133 /nfs/dbraw/zinc/49/01/33/1124490133.db2.gz PXADEKXJQKZRMA-OAHLLOKOSA-N 0 1 290.432 3.839 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnn1C)c1cc2cccc(F)c2o1 ZINC000447591200 1124494735 /nfs/dbraw/zinc/49/47/35/1124494735.db2.gz CDNQQBHHGHSWAQ-WDEREUQCSA-N 0 1 287.338 3.717 20 0 CHADMN Cc1cc([C@H](C)NC2(c3ccc4c(c3)OCO4)CC2)c(C)o1 ZINC000447607011 1124499415 /nfs/dbraw/zinc/49/94/15/1124499415.db2.gz OSCBBCPYQVBQAC-LBPRGKRZSA-N 0 1 299.370 3.965 20 0 CHADMN CCCCN(Cc1cnc(C(F)(F)F)s1)C1CC1 ZINC000447745785 1124518994 /nfs/dbraw/zinc/51/89/94/1124518994.db2.gz OAGWMTZQBQLESR-UHFFFAOYSA-N 0 1 278.343 3.926 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H](C)c2cc3ccccc3s2)c1C ZINC000526951894 1124529543 /nfs/dbraw/zinc/52/95/43/1124529543.db2.gz GHZZGCGGBBTEQC-NSHDSACASA-N 0 1 299.399 3.732 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1c(C)noc1C ZINC000122860151 1124541486 /nfs/dbraw/zinc/54/14/86/1124541486.db2.gz OVDKZNQAQLDISV-INIZCTEOSA-N 0 1 258.365 3.875 20 0 CHADMN COc1cc2c(cc1F)nccc2NCC(C)(C)SC ZINC000795104235 1124551066 /nfs/dbraw/zinc/55/10/66/1124551066.db2.gz RQJWGIPFNNPRPQ-UHFFFAOYSA-N 0 1 294.395 3.936 20 0 CHADMN CC(C)c1ocnc1CN1CCCSC[C@H]1C1CC1 ZINC001119955744 1131268368 /nfs/dbraw/zinc/26/83/68/1131268368.db2.gz AWVGYCXQNAGZFL-AWEZNQCLSA-N 0 1 280.437 3.516 20 0 CHADMN CC1(C)[C@@H](c2ccccc2)C[C@@H]1NCc1cscn1 ZINC000123093075 1124562772 /nfs/dbraw/zinc/56/27/72/1124562772.db2.gz OMDGTRZAJCYENU-CABCVRRESA-N 0 1 272.417 3.815 20 0 CHADMN CCC1(CC)CCCN(Cc2nnc(C3CC3)o2)CC1 ZINC000527299302 1124564852 /nfs/dbraw/zinc/56/48/52/1124564852.db2.gz NQBMMEDLYJRHCN-UHFFFAOYSA-N 0 1 277.412 3.739 20 0 CHADMN Cc1oncc1C[N@@H+](Cc1cccc(F)c1)C(C)C ZINC000527325047 1124566775 /nfs/dbraw/zinc/56/67/75/1124566775.db2.gz DEWJQZIRRSFUIQ-UHFFFAOYSA-N 0 1 262.328 3.533 20 0 CHADMN Cc1oncc1CN(Cc1cccc(F)c1)C(C)C ZINC000527325047 1124566779 /nfs/dbraw/zinc/56/67/79/1124566779.db2.gz DEWJQZIRRSFUIQ-UHFFFAOYSA-N 0 1 262.328 3.533 20 0 CHADMN CN(Cc1cccn1C)Cc1ccc(C(F)F)cc1 ZINC000527511290 1124578846 /nfs/dbraw/zinc/57/88/46/1124578846.db2.gz MZAKYENFOBPKNS-UHFFFAOYSA-N 0 1 264.319 3.595 20 0 CHADMN CCSc1ccccc1C[C@@H](C)NCc1ccon1 ZINC000925213337 1124584298 /nfs/dbraw/zinc/58/42/98/1124584298.db2.gz YSCRVGDJMRVBPU-GFCCVEGCSA-N 0 1 276.405 3.507 20 0 CHADMN CC1(C)CC(NCc2nc(C(F)F)no2)CC(C)(C)C1 ZINC001120064878 1131271128 /nfs/dbraw/zinc/27/11/28/1131271128.db2.gz YPEXZCVVQKCQSD-UHFFFAOYSA-N 0 1 287.354 3.702 20 0 CHADMN CC[C@@H]1C[C@H]1C(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC000448769895 1124614488 /nfs/dbraw/zinc/61/44/88/1124614488.db2.gz ILIUUGKKPRMDJU-DGCLKSJQSA-N 0 1 298.390 3.580 20 0 CHADMN CC1=C[C@H](C)C[C@H](C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)C1 ZINC000871621525 1124620365 /nfs/dbraw/zinc/62/03/65/1124620365.db2.gz FZFAMCKMXZAMPR-BPUTZDHNSA-N 0 1 279.424 3.556 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2cn(C(C)(C)C)nc2C)s1 ZINC000123716174 1124620406 /nfs/dbraw/zinc/62/04/06/1124620406.db2.gz PUCAWAORSMGFEE-JTQLQIEISA-N 0 1 292.452 3.562 20 0 CHADMN Cc1ncc(CN[C@H](C)c2cn(C(C)(C)C)nc2C)s1 ZINC000123715937 1124620717 /nfs/dbraw/zinc/62/07/17/1124620717.db2.gz PUCAWAORSMGFEE-SNVBAGLBSA-N 0 1 292.452 3.562 20 0 CHADMN Cc1cccc(CN2CCC[C@@H]2c2ccc[nH]2)c1F ZINC000448995608 1124628526 /nfs/dbraw/zinc/62/85/26/1124628526.db2.gz QRPYZSQAPQTXCA-OAHLLOKOSA-N 0 1 258.340 3.799 20 0 CHADMN Fc1cccc(C[C@@H]2CCCN2Cc2ccncc2F)c1 ZINC000449014514 1124629505 /nfs/dbraw/zinc/62/95/05/1124629505.db2.gz IKOHGOOIZNVEHT-INIZCTEOSA-N 0 1 288.341 3.567 20 0 CHADMN CN(Cc1cnc(-c2c(F)cccc2F)s1)C1CC1 ZINC000449011406 1124632744 /nfs/dbraw/zinc/63/27/44/1124632744.db2.gz QEUSHCYETJRTHA-UHFFFAOYSA-N 0 1 280.343 3.683 20 0 CHADMN Cc1cc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)cs1 ZINC000449028489 1124634295 /nfs/dbraw/zinc/63/42/95/1124634295.db2.gz ODYCQKFZYHJCNE-LBPRGKRZSA-N 0 1 261.390 3.955 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2cccc(O)c2)cs1 ZINC000449028489 1124634299 /nfs/dbraw/zinc/63/42/99/1124634299.db2.gz ODYCQKFZYHJCNE-LBPRGKRZSA-N 0 1 261.390 3.955 20 0 CHADMN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccncc1F ZINC000449029180 1124634509 /nfs/dbraw/zinc/63/45/09/1124634509.db2.gz NQCHSOBHAKUJKJ-MRXNPFEDSA-N 0 1 272.367 3.674 20 0 CHADMN C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1ccncc1F ZINC000449029419 1124634645 /nfs/dbraw/zinc/63/46/45/1124634645.db2.gz OPKUECVSGXFSMU-GOEBONIOSA-N 0 1 284.378 3.674 20 0 CHADMN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccncc1F ZINC000449030777 1124636212 /nfs/dbraw/zinc/63/62/12/1124636212.db2.gz STCYONXSMONZFW-DOMZBBRYSA-N 0 1 288.341 3.738 20 0 CHADMN CC(C)[C@@](C)(Cc1ccccc1)c1nc([C@@H]2CCCN2)no1 ZINC000871788621 1124637354 /nfs/dbraw/zinc/63/73/54/1124637354.db2.gz NQHKMOGFDKNUBG-MAUKXSAKSA-N 0 1 299.418 3.651 20 0 CHADMN Cn1cccc1[C@H]1CCCCN1Cc1cc2cccnc2o1 ZINC000449038431 1124637616 /nfs/dbraw/zinc/63/76/16/1124637616.db2.gz UMWWWFHUQZMBDU-QGZVFWFLSA-N 0 1 295.386 3.894 20 0 CHADMN COc1ccc(-c2cccn3cncc23)cc1OC(C)C ZINC001238933901 1131274109 /nfs/dbraw/zinc/27/41/09/1131274109.db2.gz CPHNYCDUEYXGBQ-UHFFFAOYSA-N 0 1 282.343 3.797 20 0 CHADMN CC(C)[C@H](NCc1ccncc1F)c1ccc(F)cc1 ZINC000449067865 1124643918 /nfs/dbraw/zinc/64/39/18/1124643918.db2.gz OWPAHWKIOURECY-INIZCTEOSA-N 0 1 276.330 3.847 20 0 CHADMN CCC(CC)[C@@H](NCc1nccnc1OC)c1ccccc1 ZINC000449086439 1124644084 /nfs/dbraw/zinc/64/40/84/1124644084.db2.gz RRFSJDNFQXRPAE-QGZVFWFLSA-N 0 1 299.418 3.752 20 0 CHADMN CC(C)[C@@H](NCc1ccncc1F)c1ccc(F)cc1 ZINC000449067866 1124644105 /nfs/dbraw/zinc/64/41/05/1124644105.db2.gz OWPAHWKIOURECY-MRXNPFEDSA-N 0 1 276.330 3.847 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)nc1)c1ccncc1 ZINC000871936355 1124653444 /nfs/dbraw/zinc/65/34/44/1124653444.db2.gz GOMKZJILAHPCSO-MNOVXSKESA-N 0 1 295.308 3.907 20 0 CHADMN CC(C)[C@@H]1CCc2[nH]n(-c3cccnc3Cl)c(=O)c2C1 ZINC000871952626 1124654030 /nfs/dbraw/zinc/65/40/30/1124654030.db2.gz ITESZPZUVVTPSF-MNOVXSKESA-N 0 1 291.782 3.510 20 0 CHADMN C[C@H]1CCc2[nH]n(-c3cccc4ccccc43)c(=O)c21 ZINC000871946762 1124654136 /nfs/dbraw/zinc/65/41/36/1124654136.db2.gz IBCRXQDWGYRZLM-MEDUHNTESA-N 0 1 264.328 3.589 20 0 CHADMN CC1(C)CC[C@H]2C(=O)N(c3nccc4sccc43)N=C2C1 ZINC000871948681 1124654549 /nfs/dbraw/zinc/65/45/49/1124654549.db2.gz YHXDEOYZGUMYOX-SNVBAGLBSA-N 0 1 299.399 3.825 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cccc(O)c2F)cc1 ZINC000872018994 1124658235 /nfs/dbraw/zinc/65/82/35/1124658235.db2.gz RIHFBUKMRWPOJL-LBPRGKRZSA-N 0 1 259.324 3.691 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cccc(O)c2F)cc1 ZINC000872029957 1124660226 /nfs/dbraw/zinc/66/02/26/1124660226.db2.gz WHKUSHQQOBGDOG-NEPJUHHUSA-N 0 1 289.350 3.952 20 0 CHADMN Cc1ccsc1CN[C@H](C)c1cccc(O)c1F ZINC000872026139 1124660641 /nfs/dbraw/zinc/66/06/41/1124660641.db2.gz BNECIQXZPFWKJA-SNVBAGLBSA-N 0 1 265.353 3.752 20 0 CHADMN CC[C@H](NCc1ccnn1C1CCCC1)c1ccncc1 ZINC000449161654 1124661795 /nfs/dbraw/zinc/66/17/95/1124661795.db2.gz GJIRAUFTVSLWSG-KRWDZBQOSA-N 0 1 284.407 3.634 20 0 CHADMN Cc1ccc2sc(C[N@@H+](C)CCc3ccccn3)nc2c1 ZINC000528426286 1124663000 /nfs/dbraw/zinc/66/30/00/1124663000.db2.gz RDIBVPHZDJPUEW-UHFFFAOYSA-N 0 1 297.427 3.674 20 0 CHADMN Cc1ccc2sc(CN(C)CCc3ccccn3)nc2c1 ZINC000528426286 1124663003 /nfs/dbraw/zinc/66/30/03/1124663003.db2.gz RDIBVPHZDJPUEW-UHFFFAOYSA-N 0 1 297.427 3.674 20 0 CHADMN COc1ccc(CN[C@H](C)c2cccc(O)c2F)c(C)c1 ZINC000872047702 1124665098 /nfs/dbraw/zinc/66/50/98/1124665098.db2.gz CYXGOSGSBWNQFB-GFCCVEGCSA-N 0 1 289.350 3.699 20 0 CHADMN C[C@H]1CCN(Cc2cccnc2C(F)(F)F)C[C@H]1C ZINC000528434723 1124665147 /nfs/dbraw/zinc/66/51/47/1124665147.db2.gz XOSWHAXECHHHPD-WDEREUQCSA-N 0 1 272.314 3.578 20 0 CHADMN COc1cc(F)cc(CNCc2cccc(C)c2F)c1 ZINC000449216842 1124673073 /nfs/dbraw/zinc/67/30/73/1124673073.db2.gz VOEOMHWZERTNDV-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN C[C@H](NCC1(C(F)(F)F)CC1)c1cccc(O)c1F ZINC000872071312 1124674431 /nfs/dbraw/zinc/67/44/31/1124674431.db2.gz NKCCLMPFCOCRLL-QMMMGPOBSA-N 0 1 277.261 3.524 20 0 CHADMN Cc1csc(CN[C@@H](C)c2cccc(O)c2F)c1 ZINC000872076444 1124676151 /nfs/dbraw/zinc/67/61/51/1124676151.db2.gz LJYLKFKDSGSJFV-JTQLQIEISA-N 0 1 265.353 3.752 20 0 CHADMN c1ccc(-c2cnc(CN[C@H]3CCCC34CCC4)nc2)cc1 ZINC000449250576 1124676526 /nfs/dbraw/zinc/67/65/26/1124676526.db2.gz OFCMNWXKSUVISS-KRWDZBQOSA-N 0 1 293.414 3.956 20 0 CHADMN CC(C)(C)C(F)(F)CN[C@H]1CCOC2(CCCC2)C1 ZINC000872088761 1124680349 /nfs/dbraw/zinc/68/03/49/1124680349.db2.gz QBWQHLTYZRHFSZ-LBPRGKRZSA-N 0 1 275.383 3.749 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cc(CO)ccc2F)cc1F ZINC000528516617 1124682103 /nfs/dbraw/zinc/68/21/03/1124682103.db2.gz LCSIGANCUORPMX-GFCCVEGCSA-N 0 1 291.341 3.616 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)N(C)Cc1ncccc1Cl ZINC000528522688 1124683051 /nfs/dbraw/zinc/68/30/51/1124683051.db2.gz UPNYKZYQIPBGEP-LBPRGKRZSA-N 0 1 292.785 3.937 20 0 CHADMN Cc1noc([C@H](C)N[C@@H]2CC[C@@H](CCC(C)C)C2)n1 ZINC000449280590 1124683163 /nfs/dbraw/zinc/68/31/63/1124683163.db2.gz XZOOETBPLYPAMV-IACUBPJLSA-N 0 1 265.401 3.634 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@H]2CC(C)(C)CO2)cs1 ZINC000872105985 1124683821 /nfs/dbraw/zinc/68/38/21/1124683821.db2.gz NXUOKLZXZDRARB-VXGBXAGGSA-N 0 1 282.453 3.732 20 0 CHADMN C/C(Cl)=C/CN1CCCC[C@H]1c1n[nH]c(C(C)C)n1 ZINC000528505133 1124684434 /nfs/dbraw/zinc/68/44/34/1124684434.db2.gz QLCDSIWPOURKMC-RDQDRAATSA-N 0 1 282.819 3.598 20 0 CHADMN CSc1ccc([C@H](C)NCc2ccncc2F)cc1 ZINC000449307418 1124687366 /nfs/dbraw/zinc/68/73/66/1124687366.db2.gz ZPBRPNNUABAHKS-NSHDSACASA-N 0 1 276.380 3.793 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2nccnc2C)c(C)c1 ZINC000872131101 1124691372 /nfs/dbraw/zinc/69/13/72/1124691372.db2.gz PMVBWZDGXKAFOX-OCCSQVGLSA-N 0 1 285.391 3.514 20 0 CHADMN COc1cccc2c1CCC[C@@H]2N[C@@H](C)c1nccnc1C ZINC000872131813 1124691818 /nfs/dbraw/zinc/69/18/18/1124691818.db2.gz AEWBXAMMYORNGN-BBRMVZONSA-N 0 1 297.402 3.522 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](C)c2nccnc2C)s1 ZINC000872134044 1124692971 /nfs/dbraw/zinc/69/29/71/1124692971.db2.gz QQDKKUOYVGRVFZ-CMPLNLGQSA-N 0 1 275.421 3.821 20 0 CHADMN COc1cc(CN2CCC[C@@H]2CF)cc2ccccc21 ZINC000449345503 1124695687 /nfs/dbraw/zinc/69/56/87/1124695687.db2.gz WDVSLYUWKNFUER-OAHLLOKOSA-N 0 1 273.351 3.782 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])cs2)[C@H]2CCCC[C@H]12 ZINC000872157137 1124696151 /nfs/dbraw/zinc/69/61/51/1124696151.db2.gz LPJWNDDAVHPPRU-DFBGVHRSSA-N 0 1 293.432 3.847 20 0 CHADMN C[C@@H](C[N@@H+](CCc1ccccc1)CC(=O)[O-])CC(C)(C)C ZINC000872159857 1124696644 /nfs/dbraw/zinc/69/66/44/1124696644.db2.gz QYSNOZZKXZSAOH-OAHLLOKOSA-N 0 1 291.435 3.688 20 0 CHADMN C/C=C/C[C@H]1CCC[N@@H+](Cc2ccc(C)c(C(=O)[O-])c2)C1 ZINC000872161449 1124696780 /nfs/dbraw/zinc/69/67/80/1124696780.db2.gz TXGJPJMUXNHWOC-BWPKMQGJSA-N 0 1 287.403 3.871 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)[O-])CC(C)(C)C ZINC000872159381 1124696828 /nfs/dbraw/zinc/69/68/28/1124696828.db2.gz FQGYJWYEFIQUBJ-ZBFHGGJFSA-N 0 1 291.435 3.686 20 0 CHADMN C[C@@H](C[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C)CC(C)(C)C ZINC000872161288 1124697287 /nfs/dbraw/zinc/69/72/87/1124697287.db2.gz RNLIVNMQOPTLAO-YIYPIFLZSA-N 0 1 269.429 3.632 20 0 CHADMN C[C@H](C[N@@H+](CCc1ccccc1)CC(=O)[O-])CC(C)(C)C ZINC000872159856 1124697335 /nfs/dbraw/zinc/69/73/35/1124697335.db2.gz QYSNOZZKXZSAOH-HNNXBMFYSA-N 0 1 291.435 3.688 20 0 CHADMN CC(C)n1cc(CN[C@@H]2CCCc3c(F)cccc32)cn1 ZINC000449352175 1124698612 /nfs/dbraw/zinc/69/86/12/1124698612.db2.gz SQYOWXRFONASHV-QGZVFWFLSA-N 0 1 287.382 3.770 20 0 CHADMN CC(C)CCc1nc(CN[C@]23CCC[C@H]2OCC3)cs1 ZINC000872311776 1124705200 /nfs/dbraw/zinc/70/52/00/1124705200.db2.gz AGXRYGROEKBOBF-ZBFHGGJFSA-N 0 1 294.464 3.533 20 0 CHADMN Cc1ccc(CN(Cc2cn(C)cn2)C(C)(C)C)cc1 ZINC000528591803 1124709646 /nfs/dbraw/zinc/70/96/46/1124709646.db2.gz KEQRDTJMDNKXKC-UHFFFAOYSA-N 0 1 271.408 3.529 20 0 CHADMN CC[C@H](N[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1)C(F)F ZINC000449359395 1124710059 /nfs/dbraw/zinc/71/00/59/1124710059.db2.gz HSLWHNXXCPRFHK-RISCZKNCSA-N 0 1 292.373 3.967 20 0 CHADMN COC[C@]1(C)CCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000449394736 1124713871 /nfs/dbraw/zinc/71/38/71/1124713871.db2.gz OTCJWOIQMLCVMT-CQSZACIVSA-N 0 1 288.218 3.852 20 0 CHADMN Cc1ccc([C@H]2CCC[C@@H]2NC(CF)CF)cc1 ZINC000449377463 1124715181 /nfs/dbraw/zinc/71/51/81/1124715181.db2.gz AIINNQVUPGFUQY-CABCVRRESA-N 0 1 253.336 3.528 20 0 CHADMN FCC(CF)N[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000449378369 1124715302 /nfs/dbraw/zinc/71/53/02/1124715302.db2.gz DMUBKWFGRWFJNH-ZIAGYGMSSA-N 0 1 273.754 3.873 20 0 CHADMN C/C=C\COc1ccc(CC[C@@H](C)NC(CF)CF)cc1 ZINC000449380697 1124717327 /nfs/dbraw/zinc/71/73/27/1124717327.db2.gz OKOJZEVUXLGQOZ-VQTKUKTRSA-N 0 1 297.389 3.860 20 0 CHADMN CN(Cc1ccc(N2CCCC2)o1)Cc1ccc(F)cc1 ZINC001137061094 1124722879 /nfs/dbraw/zinc/72/28/79/1124722879.db2.gz MHYCMHNBVDNUNH-UHFFFAOYSA-N 0 1 288.366 3.651 20 0 CHADMN Cc1ccc(-c2ncc(CN3CC[C@@H]3C3CC3)s2)o1 ZINC000449428125 1124734679 /nfs/dbraw/zinc/73/46/79/1124734679.db2.gz QMFNZRCATQTEEE-CYBMUJFWSA-N 0 1 274.389 3.696 20 0 CHADMN CN(Cc1ccc(F)cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000449445529 1124739582 /nfs/dbraw/zinc/73/95/82/1124739582.db2.gz JWKMRBGNHKOWEL-MRXNPFEDSA-N 0 1 293.769 3.645 20 0 CHADMN CC(C)(C)c1ccc(CNCc2ccncc2F)s1 ZINC000873153685 1124743202 /nfs/dbraw/zinc/74/32/02/1124743202.db2.gz DCNRXQSLTMFBLZ-UHFFFAOYSA-N 0 1 278.396 3.870 20 0 CHADMN C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccccc1F ZINC000449457600 1124746900 /nfs/dbraw/zinc/74/69/00/1124746900.db2.gz GGZQFGHHVGZHBU-PWSUYJOCSA-N 0 1 275.289 3.989 20 0 CHADMN Cc1ncccc1CN[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000873186246 1124747245 /nfs/dbraw/zinc/74/72/45/1124747245.db2.gz JOUVVPFXZKVCHB-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN Cc1ccc2nc(NC(=O)C[C@@H]3CCCC3(F)F)[nH]c2c1 ZINC000820298139 1131282006 /nfs/dbraw/zinc/28/20/06/1131282006.db2.gz MTYJEBZQGFYRCC-JTQLQIEISA-N 0 1 293.317 3.635 20 0 CHADMN CC(C)c1cnc(CNC[C@@H]2CCCC2(F)F)s1 ZINC000449491518 1124768059 /nfs/dbraw/zinc/76/80/59/1124768059.db2.gz HGPFYEUSFFNJIT-JTQLQIEISA-N 0 1 274.380 3.792 20 0 CHADMN CCO[C@@H]1CCN(Cc2cc(F)cc(Cl)c2)C[C@@H]1C ZINC000449497029 1124772754 /nfs/dbraw/zinc/77/27/54/1124772754.db2.gz JWVGTRYBYBHCHG-XHDPSFHLSA-N 0 1 285.790 3.726 20 0 CHADMN COc1cccc(-c2cc(F)c3c(c2)CN(C)CC3)c1C ZINC001238994234 1131288517 /nfs/dbraw/zinc/28/85/17/1131288517.db2.gz RRKWJOHILVHEGT-UHFFFAOYSA-N 0 1 285.362 3.798 20 0 CHADMN COC(=O)c1cc2cc(-c3coc4ccccc43)cnc2[nH]1 ZINC001239060307 1131297419 /nfs/dbraw/zinc/29/74/19/1131297419.db2.gz GQJVYIGPRBUZAW-UHFFFAOYSA-N 0 1 292.294 3.763 20 0 CHADMN C[N@H+]1CC[C@H](c2ccc(-c3ccc(C(=O)[O-])cc3F)cc2)C1 ZINC001239275053 1131309824 /nfs/dbraw/zinc/30/98/24/1131309824.db2.gz KVPNMQDUHPGBLI-HNNXBMFYSA-N 0 1 299.345 3.610 20 0 CHADMN CC[N@H+]1CCc2cc(-c3ccc(C(=O)[O-])cc3F)ccc2C1 ZINC001239254503 1131307757 /nfs/dbraw/zinc/30/77/57/1131307757.db2.gz OBNBACXFRXAFKR-UHFFFAOYSA-N 0 1 299.345 3.569 20 0 CHADMN COc1cc(Br)ccc1CN1CCCCCC1 ZINC000258057379 1131311026 /nfs/dbraw/zinc/31/10/26/1131311026.db2.gz GENNGOIXVRBZRB-UHFFFAOYSA-N 0 1 298.224 3.834 20 0 CHADMN CC[C@H](NCc1cc(OC)no1)c1cc(C)ccc1C ZINC000528800600 1124809335 /nfs/dbraw/zinc/80/93/35/1124809335.db2.gz SKJOXTRKCPSYKL-HNNXBMFYSA-N 0 1 274.364 3.541 20 0 CHADMN Cc1nnc([C@H](C)N[C@@H](C)[C@H](C)C2CCCCC2)o1 ZINC000248590014 1124817496 /nfs/dbraw/zinc/81/74/96/1124817496.db2.gz QZLZHRQAYWJLKV-SRVKXCTJSA-N 0 1 265.401 3.634 20 0 CHADMN CO[C@@H]1C[C@@H](N(C)Cc2cnc(C(C)C)s2)C12CCC2 ZINC000449630395 1124824968 /nfs/dbraw/zinc/82/49/68/1124824968.db2.gz HTYTYLVYZWMFSS-ZIAGYGMSSA-N 0 1 294.464 3.656 20 0 CHADMN FC(F)[C@H](CCc1ccccc1)NCCC[C@@H]1CCOC1 ZINC000449684870 1124837940 /nfs/dbraw/zinc/83/79/40/1124837940.db2.gz QMJPHBVQCWLRTH-CVEARBPZSA-N 0 1 297.389 3.659 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@@]2(CCSC2)C1 ZINC000449730931 1124848345 /nfs/dbraw/zinc/84/83/45/1124848345.db2.gz GWLLZTJMZPSMEH-OAHLLOKOSA-N 0 1 283.387 3.684 20 0 CHADMN Cc1cc(F)ccc1[C@H]1CCCN1Cc1cnc(C)nc1 ZINC000449737705 1124856596 /nfs/dbraw/zinc/85/65/96/1124856596.db2.gz ZRGYWCCTYOKENK-QGZVFWFLSA-N 0 1 285.366 3.570 20 0 CHADMN OCCC[C@H]1CCN(Cc2cccc(Cl)c2Cl)C1 ZINC000449792119 1124874716 /nfs/dbraw/zinc/87/47/16/1124874716.db2.gz RPPYZUGRHNLSRW-NSHDSACASA-N 0 1 288.218 3.588 20 0 CHADMN CCc1ccc(CN(Cc2ccccc2)C[C@H](O)CC)o1 ZINC000354116286 1124891954 /nfs/dbraw/zinc/89/19/54/1124891954.db2.gz KYKBFRGLCUSLQW-MRXNPFEDSA-N 0 1 287.403 3.615 20 0 CHADMN c1cnn(-c2ccccc2CN(Cc2ccco2)C2CC2)c1 ZINC001137101046 1124924219 /nfs/dbraw/zinc/92/42/19/1124924219.db2.gz YMIYCVZKHVBXPM-UHFFFAOYSA-N 0 1 293.370 3.630 20 0 CHADMN CC[C@@H]1C[C@H]1C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000450180461 1124940770 /nfs/dbraw/zinc/94/07/70/1124940770.db2.gz IVBSPKRPMNUKOA-UKRRQHHQSA-N 0 1 286.419 3.643 20 0 CHADMN Cc1ccoc1CN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000120542048 1124948850 /nfs/dbraw/zinc/94/88/50/1124948850.db2.gz PORAPXPCHPBDNW-AWEZNQCLSA-N 0 1 291.416 3.831 20 0 CHADMN CN(C)c1ccc(F)cc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000876513337 1124957157 /nfs/dbraw/zinc/95/71/57/1124957157.db2.gz KVCQFJFXIXLWGO-QGZVFWFLSA-N 0 1 287.382 3.557 20 0 CHADMN CCc1cc(CCCN(C)Cc2ccc(F)cc2F)on1 ZINC000450256688 1124957358 /nfs/dbraw/zinc/95/73/58/1124957358.db2.gz RFYYKOKSCLHMMT-UHFFFAOYSA-N 0 1 294.345 3.580 20 0 CHADMN CN(Cc1ccc(Cl)nn1)[C@@H]1CCCc2ccccc21 ZINC000876543598 1124958299 /nfs/dbraw/zinc/95/82/99/1124958299.db2.gz GRGQKGVSZVYBKZ-OAHLLOKOSA-N 0 1 287.794 3.639 20 0 CHADMN C(c1nnc(C2CC2)s1)N1CCC[C@H]1C1CCCCC1 ZINC000450271904 1124961309 /nfs/dbraw/zinc/96/13/09/1124961309.db2.gz UFOIDXPDRQYGBT-AWEZNQCLSA-N 0 1 291.464 3.960 20 0 CHADMN C[C@@H](C1CC1)N(Cc1nc(Cl)cs1)C1CC1 ZINC000876599168 1124964596 /nfs/dbraw/zinc/96/45/96/1124964596.db2.gz WJKGKRHNRCWDDG-QMMMGPOBSA-N 0 1 256.802 3.559 20 0 CHADMN CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(Cl)nn1 ZINC000876730554 1124972464 /nfs/dbraw/zinc/97/24/64/1124972464.db2.gz JYMOIUYGASUZOA-MRXNPFEDSA-N 0 1 289.810 3.959 20 0 CHADMN Brc1ncccc1CN1C2CCCC1CCC2 ZINC000876770897 1124977386 /nfs/dbraw/zinc/97/73/86/1124977386.db2.gz RXINYLMLCUFHJI-UHFFFAOYSA-N 0 1 295.224 3.751 20 0 CHADMN CCN(c1ccc(NCCC[C@H]2CCO2)cc1)C(C)C ZINC000876819622 1124980519 /nfs/dbraw/zinc/98/05/19/1124980519.db2.gz DUXLWWCYOCUFNC-KRWDZBQOSA-N 0 1 276.424 3.902 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCN1Cc1ccsc1C(F)(F)F ZINC000529529419 1124980544 /nfs/dbraw/zinc/98/05/44/1124980544.db2.gz BHPDSAJMXNASIJ-KOLCDFICSA-N 0 1 293.354 3.502 20 0 CHADMN CC[C@@H](NCc1ccc(Cl)nn1)c1ccc(C)cc1 ZINC000876891067 1124987879 /nfs/dbraw/zinc/98/78/79/1124987879.db2.gz PBPUKXQPRPIKDI-CQSZACIVSA-N 0 1 275.783 3.679 20 0 CHADMN CC(C)(O)[C@@H]1CCCN1Cc1ccsc1C(F)(F)F ZINC000529541322 1124988202 /nfs/dbraw/zinc/98/82/02/1124988202.db2.gz KHCVNLPUNHUTRJ-JTQLQIEISA-N 0 1 293.354 3.502 20 0 CHADMN COc1c(C)cnc(CN[C@H]2CCc3cc(C)ccc32)c1C ZINC000876973939 1124993616 /nfs/dbraw/zinc/99/36/16/1124993616.db2.gz SNFYQYNWGWSYMU-KRWDZBQOSA-N 0 1 296.414 3.793 20 0 CHADMN CCC(C)(C)NCc1nc(Cl)ccc1Br ZINC000876995058 1124994576 /nfs/dbraw/zinc/99/45/76/1124994576.db2.gz VJPZNCQCNCEGLR-UHFFFAOYSA-N 0 1 291.620 3.776 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2cnn(CC)c2)cc1 ZINC000120868780 1124997176 /nfs/dbraw/zinc/99/71/76/1124997176.db2.gz RYPNVWRZSJDSNH-GOSISDBHSA-N 0 1 299.418 3.639 20 0 CHADMN CN(C)Cc1cc(NCc2ccc(F)cn2)ccc1Cl ZINC000529555586 1124997341 /nfs/dbraw/zinc/99/73/41/1124997341.db2.gz HSCXOEPSULDMSN-UHFFFAOYSA-N 0 1 293.773 3.548 20 0 CHADMN COc1cnc(F)c(CN[C@@H](C)c2cccc(C)c2C)c1 ZINC000877033446 1124999401 /nfs/dbraw/zinc/99/94/01/1124999401.db2.gz ZWZFRTOFBDVCEL-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN CC(C)c1csc(CNC[C@H]2CC2(Cl)Cl)n1 ZINC000877108289 1125010130 /nfs/dbraw/zinc/01/01/30/1125010130.db2.gz PYCXVFGLFLHDFX-MRVPVSSYSA-N 0 1 279.236 3.550 20 0 CHADMN COc1cccc2c1CN(Cc1ccc3cc[nH]c3c1)CC2 ZINC000529597826 1125011571 /nfs/dbraw/zinc/01/15/71/1125011571.db2.gz ZWZAWOFBNDUCOZ-UHFFFAOYSA-N 0 1 292.382 3.735 20 0 CHADMN FC1(F)CC(C[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000450428384 1125018069 /nfs/dbraw/zinc/01/80/69/1125018069.db2.gz IBEULJSQVDNHQM-UHFFFAOYSA-N 0 1 271.738 3.743 20 0 CHADMN FC1(F)CC(CN2CCc3c(Cl)cccc3C2)C1 ZINC000450428384 1125018075 /nfs/dbraw/zinc/01/80/75/1125018075.db2.gz IBEULJSQVDNHQM-UHFFFAOYSA-N 0 1 271.738 3.743 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H](C)N([C@@H](C)c2csnn2)C1 ZINC000450420461 1125020232 /nfs/dbraw/zinc/02/02/32/1125020232.db2.gz KAUHLAZMCKBUSR-MELADBBJSA-N 0 1 287.432 3.786 20 0 CHADMN CC[C@@H]1CCCCCN1Cc1nnc(C(C)C)s1 ZINC000450430047 1125021681 /nfs/dbraw/zinc/02/16/81/1125021681.db2.gz OTAGMSVJYICJRW-GFCCVEGCSA-N 0 1 267.442 3.816 20 0 CHADMN COCCC1CCN(C/C=C\c2ccc(F)cc2F)CC1 ZINC000529637892 1125023455 /nfs/dbraw/zinc/02/34/55/1125023455.db2.gz IZJPRUQLVKYKKQ-IHWYPQMZSA-N 0 1 295.373 3.727 20 0 CHADMN COc1ccc2oc(CN3CC(Cc4ccco4)C3)cc2c1 ZINC000529649957 1125031258 /nfs/dbraw/zinc/03/12/58/1125031258.db2.gz UHULDEZLFSYQHL-UHFFFAOYSA-N 0 1 297.354 3.709 20 0 CHADMN CCN(C(=O)[C@@H](C)N(C)Cc1ccccc1)c1ccccc1 ZINC000302812541 1125034739 /nfs/dbraw/zinc/03/47/39/1125034739.db2.gz PEMWWKSSWUSOGD-MRXNPFEDSA-N 0 1 296.414 3.560 20 0 CHADMN Fc1cccc([C@@H]2CCCN2Cc2ccc3nonc3c2)c1 ZINC000821362641 1131327188 /nfs/dbraw/zinc/32/71/88/1131327188.db2.gz NIJKPAJDGXQYJF-KRWDZBQOSA-N 0 1 297.333 3.699 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccc(Cl)nn1)CCC2 ZINC000877534852 1125040508 /nfs/dbraw/zinc/04/05/08/1125040508.db2.gz PEFXIHROEVDZPE-HNNXBMFYSA-N 0 1 287.794 3.606 20 0 CHADMN CC(C)[C@H]1N(Cc2cc3c(cc[nH]c3=O)o2)CC12CCC2 ZINC000877545214 1125043776 /nfs/dbraw/zinc/04/37/76/1125043776.db2.gz HADKLQZNGFPBMT-OAHLLOKOSA-N 0 1 286.375 3.544 20 0 CHADMN Clc1nccc2oc(CNc3cc4c(cn3)CCC4)cc21 ZINC000877553528 1125045535 /nfs/dbraw/zinc/04/55/35/1125045535.db2.gz UYKFWTKBJCYBGU-UHFFFAOYSA-N 0 1 299.761 3.977 20 0 CHADMN COc1c(C)cccc1CNCc1cccc(Cl)c1N ZINC000877618075 1125054125 /nfs/dbraw/zinc/05/41/25/1125054125.db2.gz GBTJUSTUMWQIQC-UHFFFAOYSA-N 0 1 290.794 3.529 20 0 CHADMN FC1(F)CC[C@@H](CN2CCc3[nH]c4ccccc4c3C2)C1 ZINC000450553535 1125055604 /nfs/dbraw/zinc/05/56/04/1125055604.db2.gz JDVFGZHYLODIFI-GFCCVEGCSA-N 0 1 290.357 3.961 20 0 CHADMN C[C@H](NCc1ccc2nonc2c1)c1cc2ccccc2o1 ZINC000821402237 1131328172 /nfs/dbraw/zinc/32/81/72/1131328172.db2.gz OMHHKZYUXFDLKY-NSHDSACASA-N 0 1 293.326 3.820 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc3c(c2)CCCO3)sn1 ZINC000877643909 1125058546 /nfs/dbraw/zinc/05/85/46/1125058546.db2.gz OWUIEDBZFIKAMB-GFCCVEGCSA-N 0 1 288.416 3.627 20 0 CHADMN COc1cc(CN[C@@H]2CCc3ccc(Cl)cc32)sn1 ZINC000877660741 1125059465 /nfs/dbraw/zinc/05/94/65/1125059465.db2.gz PPLIOJLRJNFDBK-CYBMUJFWSA-N 0 1 294.807 3.582 20 0 CHADMN CCC(F)(F)C(C)(C)CNCc1nc(Cl)cs1 ZINC000877655732 1125059939 /nfs/dbraw/zinc/05/99/39/1125059939.db2.gz JJMKKGQUPNDPRJ-UHFFFAOYSA-N 0 1 282.787 3.958 20 0 CHADMN CC[C@@](C)(NCc1ccc(F)cn1)c1ccc(F)cc1 ZINC000877665670 1125061031 /nfs/dbraw/zinc/06/10/31/1125061031.db2.gz DMABTSQAVZGKTE-MRXNPFEDSA-N 0 1 276.330 3.775 20 0 CHADMN C(=C/c1ccccc1)\CCN1CCC[C@H]1c1ncc[nH]1 ZINC000450653761 1125079225 /nfs/dbraw/zinc/07/92/25/1125079225.db2.gz PWJGARUIOKQYPY-UFNQUYMESA-N 0 1 267.376 3.650 20 0 CHADMN CC[C@@H](C(=O)Nc1ccc(Cl)cc1C(C)C)N(C)C ZINC000529853755 1125081912 /nfs/dbraw/zinc/08/19/12/1125081912.db2.gz QDKZJCJHUULEHA-AWEZNQCLSA-N 0 1 282.815 3.742 20 0 CHADMN Cc1ccsc1CN1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000877822488 1125087718 /nfs/dbraw/zinc/08/77/18/1125087718.db2.gz GZOROVQMIOQDBK-CMPLNLGQSA-N 0 1 293.354 3.598 20 0 CHADMN Cc1csc(C2(NCC3=CCCCC3)CCC2)n1 ZINC000450731500 1125095308 /nfs/dbraw/zinc/09/53/08/1125095308.db2.gz YNPMVPRSRJKCFI-UHFFFAOYSA-N 0 1 262.422 3.921 20 0 CHADMN CCS[C@H]1CCCC[C@H]1NCc1nnc(C(C)C)s1 ZINC000450769957 1125101377 /nfs/dbraw/zinc/10/13/77/1125101377.db2.gz YFDHNXSGPSEEBR-NEPJUHHUSA-N 0 1 299.509 3.815 20 0 CHADMN Cc1conc1CN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000877915555 1125101644 /nfs/dbraw/zinc/10/16/44/1125101644.db2.gz HQELPADQNQTCQR-UHFFFAOYSA-N 0 1 295.386 3.844 20 0 CHADMN CCS[C@H]1CCCC[C@H]1NCc1nnc(C2CC2)s1 ZINC000450753315 1125101851 /nfs/dbraw/zinc/10/18/51/1125101851.db2.gz BPJMXEAMQNZDRN-NEPJUHHUSA-N 0 1 297.493 3.569 20 0 CHADMN CC(C)[C@H](NCc1nccn1CC(F)F)c1ccccc1 ZINC000877929147 1125102876 /nfs/dbraw/zinc/10/28/76/1125102876.db2.gz ULYCTNHJYRMKNU-INIZCTEOSA-N 0 1 293.361 3.635 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc2occc2c1 ZINC000530003956 1125112330 /nfs/dbraw/zinc/11/23/30/1125112330.db2.gz MBAMTSMUGUJELP-UHFFFAOYSA-N 0 1 283.331 3.840 20 0 CHADMN COCCCCNc1cc(C)nc2ccc(F)cc21 ZINC000121416574 1125120270 /nfs/dbraw/zinc/12/02/70/1125120270.db2.gz BNAANYLICKOLIL-UHFFFAOYSA-N 0 1 262.328 3.521 20 0 CHADMN CC[C@H](NC(=O)c1[nH]nc(C)c1C)c1cc(C)ccc1C ZINC000530100508 1125122717 /nfs/dbraw/zinc/12/27/17/1125122717.db2.gz XZBJCBYILLFVIP-HNNXBMFYSA-N 0 1 285.391 3.524 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1CCC1CCCCCC1 ZINC000530172156 1125129991 /nfs/dbraw/zinc/12/99/91/1125129991.db2.gz FPEOBUONJMKGTL-MIFYACCESA-N 0 1 281.440 3.921 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@@H+]2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)C1 ZINC000530174489 1125130027 /nfs/dbraw/zinc/13/00/27/1125130027.db2.gz KGUKUDPVUQJOCR-IBEHDNSVSA-N 0 1 281.440 3.776 20 0 CHADMN CC(C)c1cccc(C[N@@H+]2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)c1 ZINC000530174095 1125130312 /nfs/dbraw/zinc/13/03/12/1125130312.db2.gz UHIXQESGSYJEIE-XOIINTDNSA-N 0 1 289.419 3.884 20 0 CHADMN CC(C)[C@@H](O)CC[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000878204711 1125131067 /nfs/dbraw/zinc/13/10/67/1125131067.db2.gz WUXAFBLDPVYCKY-JSGCOSHPSA-N 0 1 292.448 3.696 20 0 CHADMN CC(C)[C@@H](O)CCN(C)[C@@H](C)c1nc2ccccc2s1 ZINC000878204711 1125131071 /nfs/dbraw/zinc/13/10/71/1125131071.db2.gz WUXAFBLDPVYCKY-JSGCOSHPSA-N 0 1 292.448 3.696 20 0 CHADMN COc1cccc([C@H](C)N2CCC[C@@](C)(F)C2)c1 ZINC000451116645 1125135820 /nfs/dbraw/zinc/13/58/20/1125135820.db2.gz SECMEHOSMXRMER-SWLSCSKDSA-N 0 1 251.345 3.580 20 0 CHADMN CC[C@@](C)(NC[C@@H]1CCC(C)(C)CO1)c1nccs1 ZINC000878254469 1125136027 /nfs/dbraw/zinc/13/60/27/1125136027.db2.gz XHVDCDBNYDZQEV-SWLSCSKDSA-N 0 1 282.453 3.563 20 0 CHADMN Cc1ccc(-c2nc[nH]c3nc(=S)sc2-3)cc1 ZINC001239478260 1131336508 /nfs/dbraw/zinc/33/65/08/1131336508.db2.gz JQANNXRZFOBHFD-UHFFFAOYSA-N 0 1 259.359 3.676 20 0 CHADMN C[C@H]1SCCN(Cc2ccc(Cl)cc2)[C@H]1C ZINC000303657100 1125137586 /nfs/dbraw/zinc/13/75/86/1125137586.db2.gz CPXPOSFFWUITCH-WDEREUQCSA-N 0 1 255.814 3.666 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1nc(C(C)(C)C)cs1 ZINC000451128427 1125138619 /nfs/dbraw/zinc/13/86/19/1125138619.db2.gz XDGQTBWJQTXEMK-RHYQMDGZSA-N 0 1 282.453 3.657 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(C)c(Cl)n2)cc1 ZINC000878350725 1125143316 /nfs/dbraw/zinc/14/33/16/1125143316.db2.gz RWNRIRMPZZKWCE-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN C[N@H+](Cc1scnc1Cl)C[C@H]1CC=CCC1 ZINC000878403772 1125149094 /nfs/dbraw/zinc/14/90/94/1125149094.db2.gz IDSZBJUKURCPSP-JTQLQIEISA-N 0 1 256.802 3.585 20 0 CHADMN CN(Cc1scnc1Cl)C[C@H]1CC=CCC1 ZINC000878403772 1125149096 /nfs/dbraw/zinc/14/90/96/1125149096.db2.gz IDSZBJUKURCPSP-JTQLQIEISA-N 0 1 256.802 3.585 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1ccc(C)c(Cl)n1 ZINC000878403052 1125149222 /nfs/dbraw/zinc/14/92/22/1125149222.db2.gz MHDQROWTWWINHH-GFCCVEGCSA-N 0 1 289.810 3.852 20 0 CHADMN CC[C@H](NC[C@@H]1CCCC(C)(C)O1)c1nc(C)cs1 ZINC000878408087 1125150578 /nfs/dbraw/zinc/15/05/78/1125150578.db2.gz JMIZZZCZBJDWJY-STQMWFEESA-N 0 1 282.453 3.840 20 0 CHADMN C=C/C=C/CCN[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000878425637 1125153067 /nfs/dbraw/zinc/15/30/67/1125153067.db2.gz OVDFEWFIRDLHES-GFUIURDCSA-N 0 1 299.374 3.528 20 0 CHADMN C=C/C=C\CCN[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000878426311 1125153877 /nfs/dbraw/zinc/15/38/77/1125153877.db2.gz XWRCMYVFUNOAMI-SZZPACECSA-N 0 1 299.374 3.528 20 0 CHADMN FC(F)(F)CCN[C@H]1CCCc2c(Cl)ccnc21 ZINC000925234191 1125154132 /nfs/dbraw/zinc/15/41/32/1125154132.db2.gz BRVLYWXFRFXKSB-JTQLQIEISA-N 0 1 278.705 3.654 20 0 CHADMN CC(C)[C@@H](CC(F)(F)F)NCc1scnc1Cl ZINC000878481296 1125156297 /nfs/dbraw/zinc/15/62/97/1125156297.db2.gz NOYBPOXYJIKOEG-SSDOTTSWSA-N 0 1 286.750 3.863 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@H](C)c1cncc(F)c1 ZINC000121947257 1125164485 /nfs/dbraw/zinc/16/44/85/1125164485.db2.gz WPTQLZWJZWHNJL-BZNIZROVSA-N 0 1 286.350 3.567 20 0 CHADMN Cc1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cn1 ZINC000121955737 1125164596 /nfs/dbraw/zinc/16/45/96/1125164596.db2.gz NPFCFOYSGMBCQN-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN CC(=O)C1CCN(Cc2cccc(OCC(C)C)c2)CC1 ZINC000878671908 1125172201 /nfs/dbraw/zinc/17/22/01/1125172201.db2.gz NWHXNMVYGONFRN-UHFFFAOYSA-N 0 1 289.419 3.522 20 0 CHADMN Fc1ccc(CN2CCS[C@H]3CCCC[C@@H]32)c(F)c1 ZINC000530772694 1125179454 /nfs/dbraw/zinc/17/94/54/1125179454.db2.gz XICYUDYRIXLTHE-GJZGRUSLSA-N 0 1 283.387 3.825 20 0 CHADMN COC[C@H](NCc1ccccc1C)c1ccc(F)cc1 ZINC000530967980 1125189661 /nfs/dbraw/zinc/18/96/61/1125189661.db2.gz XAXXVVOLQLHAKN-KRWDZBQOSA-N 0 1 273.351 3.611 20 0 CHADMN Fc1ccccc1CN1CCC[C@@H]1c1ccccn1 ZINC000530962769 1125189813 /nfs/dbraw/zinc/18/98/13/1125189813.db2.gz REPMKUXDVABCDP-MRXNPFEDSA-N 0 1 256.324 3.558 20 0 CHADMN CC1(C)C[N@@H+](C[C@H]2CCC(C)(C)CO2)[C@@H]1c1ccncc1 ZINC000879009573 1125191501 /nfs/dbraw/zinc/19/15/01/1125191501.db2.gz AMBHVFAEQWETNC-HZPDHXFCSA-N 0 1 288.435 3.670 20 0 CHADMN CC1(C)CN(C[C@H]2CCC(C)(C)CO2)[C@@H]1c1ccncc1 ZINC000879009573 1125191503 /nfs/dbraw/zinc/19/15/03/1125191503.db2.gz AMBHVFAEQWETNC-HZPDHXFCSA-N 0 1 288.435 3.670 20 0 CHADMN c1oc(C2CC2)nc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000879009520 1125191548 /nfs/dbraw/zinc/19/15/48/1125191548.db2.gz ZOGSJTAGWZMNLS-WFASDCNBSA-N 0 1 260.381 3.707 20 0 CHADMN c1oc(C2CC2)nc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000879009520 1125191552 /nfs/dbraw/zinc/19/15/52/1125191552.db2.gz ZOGSJTAGWZMNLS-WFASDCNBSA-N 0 1 260.381 3.707 20 0 CHADMN CC1(C)C[N@@H+](C[C@@H]2CCCC(C)(C)O2)[C@H]1c1cccnc1 ZINC000879010282 1125191592 /nfs/dbraw/zinc/19/15/92/1125191592.db2.gz UFIXUGMFJZCUGG-HOTGVXAUSA-N 0 1 288.435 3.812 20 0 CHADMN CC1(C)CN(C[C@@H]2CCCC(C)(C)O2)[C@H]1c1cccnc1 ZINC000879010282 1125191593 /nfs/dbraw/zinc/19/15/93/1125191593.db2.gz UFIXUGMFJZCUGG-HOTGVXAUSA-N 0 1 288.435 3.812 20 0 CHADMN CCn1nc(C)c(CN(C)Cc2ccc(CF)cc2)c1C ZINC000879119364 1125197530 /nfs/dbraw/zinc/19/75/30/1125197530.db2.gz OTGKWXGKNLGOPU-UHFFFAOYSA-N 0 1 289.398 3.621 20 0 CHADMN CC[C@@](C)(NCc1cccc(F)n1)c1ccc(F)cc1 ZINC000879128032 1125198564 /nfs/dbraw/zinc/19/85/64/1125198564.db2.gz FELWNTJLAYVWFI-MRXNPFEDSA-N 0 1 276.330 3.775 20 0 CHADMN Cc1cccc2nc(-c3csc(C4CC4)n3)[nH]c21 ZINC000122776999 1125203002 /nfs/dbraw/zinc/20/30/02/1125203002.db2.gz RQGQSXRZUHARMY-UHFFFAOYSA-N 0 1 255.346 3.872 20 0 CHADMN C[C@H](NCc1csc(Cl)n1)[C@]12C[C@H]1CCCC2 ZINC000879266019 1125205052 /nfs/dbraw/zinc/20/50/52/1125205052.db2.gz PYJSZCDOPJONGG-CWSCBRNRSA-N 0 1 270.829 3.855 20 0 CHADMN CC(C)OC1CC(N2CCC[C@@](F)(c3ccccc3)C2)C1 ZINC000879477478 1125215324 /nfs/dbraw/zinc/21/53/24/1125215324.db2.gz HUUDRUFAQXTUFB-ABHNRTSZSA-N 0 1 291.410 3.903 20 0 CHADMN OCC1(Nc2ccnc3cc(C(F)(F)F)ccc32)CCC1 ZINC000340739059 1125218382 /nfs/dbraw/zinc/21/83/82/1125218382.db2.gz GRWBTSWWOAYHSY-UHFFFAOYSA-N 0 1 296.292 3.581 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1[C@H](C)CC[C@H]1C ZINC000123083029 1125222625 /nfs/dbraw/zinc/22/26/25/1125222625.db2.gz NRLOMNBCIWRAHN-VXGBXAGGSA-N 0 1 275.371 3.568 20 0 CHADMN Cc1ccnc(CN2CC[C@@H](c3ccccc3F)C2(C)C)n1 ZINC000879640511 1125222759 /nfs/dbraw/zinc/22/27/59/1125222759.db2.gz KANKMKNTZIODOY-HNNXBMFYSA-N 0 1 299.393 3.692 20 0 CHADMN CCc1ccc(CN2CCC[C@H]2c2cncc(C)c2)nc1 ZINC000879751454 1125230981 /nfs/dbraw/zinc/23/09/81/1125230981.db2.gz IZZQWHCGXJWRRK-SFHVURJKSA-N 0 1 281.403 3.685 20 0 CHADMN CCc1ccc(CN2CCC[C@@H]2c2cncc(C)c2)nc1 ZINC000879751453 1125231658 /nfs/dbraw/zinc/23/16/58/1125231658.db2.gz IZZQWHCGXJWRRK-GOSISDBHSA-N 0 1 281.403 3.685 20 0 CHADMN CCc1ccc(CNCCOC2CCCCCC2)o1 ZINC000532122892 1125235921 /nfs/dbraw/zinc/23/59/21/1125235921.db2.gz HZJFOGPPQLCUSM-UHFFFAOYSA-N 0 1 265.397 3.671 20 0 CHADMN C[C@H]1N(Cc2ccc(C(F)(F)F)cc2)CCOC1(C)C ZINC000532166503 1125236774 /nfs/dbraw/zinc/23/67/74/1125236774.db2.gz BROGUNUIVZTSPX-LLVKDONJSA-N 0 1 287.325 3.705 20 0 CHADMN COc1cccc(CN2CCOC3(C2)CCCCCC3)c1 ZINC000532172044 1125236406 /nfs/dbraw/zinc/23/64/06/1125236406.db2.gz GMQJZFCLFWHIMJ-UHFFFAOYSA-N 0 1 289.419 3.620 20 0 CHADMN CC(C)c1cnc(CN2CC[C@@]3(CCc4ccccc43)C2)o1 ZINC000879997116 1125243189 /nfs/dbraw/zinc/24/31/89/1125243189.db2.gz FZODXCLYQRFDER-IBGZPJMESA-N 0 1 296.414 3.888 20 0 CHADMN COC(=O)[C@H](c1ccccc1)N1CCC[C@H](CC(C)C)C1 ZINC001168144764 1125257684 /nfs/dbraw/zinc/25/76/84/1125257684.db2.gz HDUYVBXOYIGGFF-WBVHZDCISA-N 0 1 289.419 3.659 20 0 CHADMN FC[C@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000880237076 1125257871 /nfs/dbraw/zinc/25/78/71/1125257871.db2.gz PPILGCFPBJTMLR-GFCCVEGCSA-N 0 1 257.299 3.806 20 0 CHADMN Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@H](CF)C1 ZINC000880230184 1125258310 /nfs/dbraw/zinc/25/83/10/1125258310.db2.gz HWNNMKVCGIQVMQ-CQSZACIVSA-N 0 1 288.366 3.832 20 0 CHADMN Cc1oc(-c2ccccc2)nc1CN1CCC[C@H](CF)C1 ZINC000880230184 1125258313 /nfs/dbraw/zinc/25/83/13/1125258313.db2.gz HWNNMKVCGIQVMQ-CQSZACIVSA-N 0 1 288.366 3.832 20 0 CHADMN FC[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000880235337 1125258718 /nfs/dbraw/zinc/25/87/18/1125258718.db2.gz OFNOZDJHEMVWOG-LBPRGKRZSA-N 0 1 292.329 3.662 20 0 CHADMN FC[C@@H]1CCCN(Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000880235337 1125258721 /nfs/dbraw/zinc/25/87/21/1125258721.db2.gz OFNOZDJHEMVWOG-LBPRGKRZSA-N 0 1 292.329 3.662 20 0 CHADMN C[C@H](c1ccccc1)N1CCN([C@H](C)c2ccncc2)CC1 ZINC000880247269 1125259458 /nfs/dbraw/zinc/25/94/58/1125259458.db2.gz ASYHRGTVOUJPGX-IAGOWNOFSA-N 0 1 295.430 3.521 20 0 CHADMN CCCCCc1cc(C(=O)N(C)[C@H](C)C(C)(C)C)n[nH]1 ZINC000666034915 1125260381 /nfs/dbraw/zinc/26/03/81/1125260381.db2.gz SROMBCYYOCACQM-GFCCVEGCSA-N 0 1 279.428 3.649 20 0 CHADMN FC[C@H]1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000880291963 1125263415 /nfs/dbraw/zinc/26/34/15/1125263415.db2.gz KKOVRJSZOREUGC-LLVKDONJSA-N 0 1 294.757 3.786 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@H](c2nccs2)C1 ZINC000880317052 1125264087 /nfs/dbraw/zinc/26/40/87/1125264087.db2.gz OSOYLODHWHMVKP-MNOVXSKESA-N 0 1 294.370 3.972 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CC[C@H](c2nccs2)C1 ZINC000880317042 1125264481 /nfs/dbraw/zinc/26/44/81/1125264481.db2.gz OPYUQTQRDHEXRN-QWRGUYRKSA-N 0 1 294.370 3.972 20 0 CHADMN COc1ccc2cc(CNCc3oc(C)nc3C)ccc2c1 ZINC000321066996 1125267006 /nfs/dbraw/zinc/26/70/06/1125267006.db2.gz ZVLAKRIRKZLUGA-UHFFFAOYSA-N 0 1 296.370 3.743 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H]1CCCc2c(O)cccc21 ZINC000671120909 1125267171 /nfs/dbraw/zinc/26/71/71/1125267171.db2.gz DMFBZMFBFXHLQY-BLLLJJGKSA-N 0 1 298.386 3.524 20 0 CHADMN C(=C\c1ccccc1)\CCNC1(c2ncccn2)CCC1 ZINC000880368317 1125267796 /nfs/dbraw/zinc/26/77/96/1125267796.db2.gz WKZSENMZYXMOJL-WMZJFQQLSA-N 0 1 279.387 3.549 20 0 CHADMN Cc1cccc(-c2ccc(C)cc2CN2CCOCC2)c1 ZINC001239488761 1131343435 /nfs/dbraw/zinc/34/34/35/1131343435.db2.gz GFRRRFAIJGPXPU-UHFFFAOYSA-N 0 1 281.399 3.803 20 0 CHADMN CCCCCCn1cc(CN(C)C2CCCCC2)nn1 ZINC000849140939 1125275938 /nfs/dbraw/zinc/27/59/38/1125275938.db2.gz WUZUUMUCEZFLPU-UHFFFAOYSA-N 0 1 278.444 3.623 20 0 CHADMN CCN(Cc1ccoc1)Cc1cc(OC)c(OC)cc1C ZINC000102409216 1125277609 /nfs/dbraw/zinc/27/76/09/1125277609.db2.gz FNDARNFKQMKCCF-UHFFFAOYSA-N 0 1 289.375 3.627 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@H](C)c2ccc(Cl)nc2)cn1 ZINC000760158296 1125278591 /nfs/dbraw/zinc/27/85/91/1125278591.db2.gz LZXTTXXXOSBSPF-VXGBXAGGSA-N 0 1 292.814 3.924 20 0 CHADMN Cc1ccc(CN2C[C@@H]3CC[C@H]2c2ccccc23)cn1 ZINC000880539418 1125279366 /nfs/dbraw/zinc/27/93/66/1125279366.db2.gz YCXBUQVSDNBROQ-YJBOKZPZSA-N 0 1 264.372 3.824 20 0 CHADMN Cc1cccc(CN2C[C@@H]3CC[C@H]2c2ccccc23)n1 ZINC000880535687 1125279700 /nfs/dbraw/zinc/27/97/00/1125279700.db2.gz FPWDDORRHBRIRE-KSSFIOAISA-N 0 1 264.372 3.824 20 0 CHADMN CC[C@]1(C)CCN(Cc2nc3ccc(OC)cc3s2)C1 ZINC000475724298 1125280943 /nfs/dbraw/zinc/28/09/43/1125280943.db2.gz IXJYSSOBOXNHDW-MRXNPFEDSA-N 0 1 290.432 3.927 20 0 CHADMN Cc1ccccc1-c1nc(C[N@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)no1 ZINC000475730810 1125282659 /nfs/dbraw/zinc/28/26/59/1125282659.db2.gz ASIZHGHTVNNMNE-SNPRPXQTSA-N 0 1 299.418 3.911 20 0 CHADMN Cc1ccccc1-c1nc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)no1 ZINC000475730810 1125282665 /nfs/dbraw/zinc/28/26/65/1125282665.db2.gz ASIZHGHTVNNMNE-SNPRPXQTSA-N 0 1 299.418 3.911 20 0 CHADMN C[C@@H](CNc1ccnc2cc(F)ccc21)C(F)(F)F ZINC000475741102 1125284371 /nfs/dbraw/zinc/28/43/71/1125284371.db2.gz VKBFUULKPHUZPC-QMMMGPOBSA-N 0 1 272.245 3.984 20 0 CHADMN COC(=O)c1cccc([C@H](C)Nc2ncc(C)cc2C)c1 ZINC001159954430 1131345094 /nfs/dbraw/zinc/34/50/94/1131345094.db2.gz KSCPEBGNRVYYLF-ZDUSSCGKSA-N 0 1 284.359 3.658 20 0 CHADMN CCCN(Cc1ccccc1)C(=O)c1cccc(F)c1O ZINC001124380169 1131345746 /nfs/dbraw/zinc/34/57/46/1131345746.db2.gz XGJDHSIFFODGAH-UHFFFAOYSA-N 0 1 287.334 3.584 20 0 CHADMN CCCCCc1cc(C(=O)N(C)[C@@H](C)c2ccco2)n[nH]1 ZINC000666169591 1125305921 /nfs/dbraw/zinc/30/59/21/1125305921.db2.gz FLAZGTMZYUCMAF-LBPRGKRZSA-N 0 1 289.379 3.569 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cncs1)c1ccccc1OC ZINC000128954336 1125308655 /nfs/dbraw/zinc/30/86/55/1125308655.db2.gz XERYAMYSYVKOKU-WCQYABFASA-N 0 1 276.405 3.954 20 0 CHADMN FC(F)(F)c1ccc(C2=CCOC2)c(CN2CCCC2)c1 ZINC001239495300 1131347050 /nfs/dbraw/zinc/34/70/50/1131347050.db2.gz QKEROHFMASFTDF-UHFFFAOYSA-N 0 1 297.320 3.715 20 0 CHADMN CC(C)C(C)(C)C[NH2+]Cc1cccc([O-])c1Cl ZINC000392918633 1125318924 /nfs/dbraw/zinc/31/89/24/1125318924.db2.gz MMSQEESZFMWDIB-UHFFFAOYSA-N 0 1 255.789 3.817 20 0 CHADMN COCc1ccc(CN[C@H](C)c2ccc(OC)c(C)c2)o1 ZINC000897417286 1125321046 /nfs/dbraw/zinc/32/10/46/1125321046.db2.gz IGKBKYJYPMCBGB-CYBMUJFWSA-N 0 1 289.375 3.594 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@H]1NCc1nc(C2CC2)no1 ZINC000191351574 1125324042 /nfs/dbraw/zinc/32/40/42/1125324042.db2.gz QSKNRHAKNYCQTC-GXTWGEPZSA-N 0 1 277.412 3.642 20 0 CHADMN O=C1CCN(Cc2cccc3cccnc32)[C@@H]2CCCC[C@H]12 ZINC001137172171 1125331627 /nfs/dbraw/zinc/33/16/27/1125331627.db2.gz WTOGKFLMUFUVSZ-DLBZAZTESA-N 0 1 294.398 3.568 20 0 CHADMN COC(=O)c1ccc(CN([C@@H](C)c2ccco2)C2CC2)cc1 ZINC000086235192 1125337946 /nfs/dbraw/zinc/33/79/46/1125337946.db2.gz HTGKAQXLNGBJSZ-ZDUSSCGKSA-N 0 1 299.370 3.792 20 0 CHADMN Cc1nc([C@@H](C)Sc2nc3cccc(F)c3s2)n[nH]1 ZINC000882344558 1125344072 /nfs/dbraw/zinc/34/40/72/1125344072.db2.gz AKMSQFWSGCWWQH-ZCFIWIBFSA-N 0 1 294.380 3.715 20 0 CHADMN CCn1nc(C)c(CN2CCC[C@@H]2CCC2CCCC2)n1 ZINC001168183845 1125353465 /nfs/dbraw/zinc/35/34/65/1125353465.db2.gz HPEGONKBWMBMPX-MRXNPFEDSA-N 0 1 290.455 3.541 20 0 CHADMN O=C(Nc1cccc2[nH]ccc21)c1cc(Cl)ccc1O ZINC000149033316 1125357225 /nfs/dbraw/zinc/35/72/25/1125357225.db2.gz VVSZFBLQFWIADO-UHFFFAOYSA-N 0 1 286.718 3.779 20 0 CHADMN CC(C)c1c[nH]c(CN[C@@H](c2cccs2)C2CC2)n1 ZINC000882881684 1125360109 /nfs/dbraw/zinc/36/01/09/1125360109.db2.gz YUEKEMFMWWWSDH-OAHLLOKOSA-N 0 1 275.421 3.836 20 0 CHADMN C[C@@H](N[C@@H]1CCc2c1cccc2O)c1ccnc(Cl)c1 ZINC000130506838 1125362374 /nfs/dbraw/zinc/36/23/74/1125362374.db2.gz IFVBXDCIOOHXCR-QMTHXVAHSA-N 0 1 288.778 3.779 20 0 CHADMN C[C@H](NCc1ccncc1N)c1ccccc1C(F)(F)F ZINC000882918965 1125362611 /nfs/dbraw/zinc/36/26/11/1125362611.db2.gz YHAUABGRNKSRGS-JTQLQIEISA-N 0 1 295.308 3.533 20 0 CHADMN Cc1ccc(-c2nc(CN[C@H](C)[C@H]3CC3(F)F)co2)cc1 ZINC000666444581 1125369521 /nfs/dbraw/zinc/36/95/21/1125369521.db2.gz IOBVWTMZYMCYDX-BXUZGUMPSA-N 0 1 292.329 3.783 20 0 CHADMN C[C@H](NCc1csc(-c2ccco2)n1)[C@H]1CC1(F)F ZINC000666445904 1125370187 /nfs/dbraw/zinc/37/01/87/1125370187.db2.gz YTAMOQIRFAGNLZ-WCBMZHEXSA-N 0 1 284.331 3.536 20 0 CHADMN Cc1ccc(C(C)(C)NCc2cccc(Cl)c2N)cn1 ZINC000883087864 1125371367 /nfs/dbraw/zinc/37/13/67/1125371367.db2.gz LDWXQIZZABCHRO-UHFFFAOYSA-N 0 1 289.810 3.651 20 0 CHADMN CC1CCC(N(Cc2ncc(Cl)n2C)C2CC2)CC1 ZINC000052103994 1125374044 /nfs/dbraw/zinc/37/40/44/1125374044.db2.gz PHWAOZTUTCIJAT-UHFFFAOYSA-N 0 1 281.831 3.617 20 0 CHADMN Cc1ccnc(NCc2nc(C(C)C)c[nH]2)c1C1CC1 ZINC000883167235 1125374482 /nfs/dbraw/zinc/37/44/82/1125374482.db2.gz SVDFBEMGNZZQLI-UHFFFAOYSA-N 0 1 270.380 3.726 20 0 CHADMN C/C=C/C[C@H]1CCCN(Cc2nc(-c3ccco3)no2)C1 ZINC000626160179 1125375618 /nfs/dbraw/zinc/37/56/18/1125375618.db2.gz CAXWOESVBCWEOK-IBUXWKBASA-N 0 1 287.363 3.508 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H](C)c1ccc(Cl)cn1 ZINC000681391470 1125375695 /nfs/dbraw/zinc/37/56/95/1125375695.db2.gz HTVDTJBFXZPPMN-NWDGAFQWSA-N 0 1 275.783 3.850 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](CC)c2sccc2Cl)n[nH]1 ZINC000883208189 1125378125 /nfs/dbraw/zinc/37/81/25/1125378125.db2.gz AQEKWKBRANOXDN-WPRPVWTQSA-N 0 1 298.843 3.884 20 0 CHADMN C/C=C\C[C@@H]1CCCN([C@@H](C)c2nnc(C)s2)C1 ZINC000626162901 1125380813 /nfs/dbraw/zinc/38/08/13/1125380813.db2.gz AIOGQVHIQVXBLD-YBLMTZRHSA-N 0 1 265.426 3.586 20 0 CHADMN CCCN(Cc1coc(-c2ccccc2)n1)C1CC1 ZINC000170900994 1125380834 /nfs/dbraw/zinc/38/08/34/1125380834.db2.gz UNGFFTASRRZQKV-UHFFFAOYSA-N 0 1 256.349 3.716 20 0 CHADMN CCCC1CCC(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)CC1 ZINC000666581269 1125381222 /nfs/dbraw/zinc/38/12/22/1125381222.db2.gz OECOFWOIXVMTDK-GPANFISMSA-N 0 1 281.440 3.780 20 0 CHADMN CCSc1ccc(CNCc2ccc(C)cn2)cc1 ZINC000883236120 1125381709 /nfs/dbraw/zinc/38/17/09/1125381709.db2.gz SEKQDWHHSMDNCY-UHFFFAOYSA-N 0 1 272.417 3.792 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000666573581 1125382026 /nfs/dbraw/zinc/38/20/26/1125382026.db2.gz WJAQPLYRRBDYAT-COXVUDFISA-N 0 1 287.403 3.785 20 0 CHADMN CC[C@H](NCc1ccc[nH]c1=O)c1sccc1Cl ZINC000883239306 1125382171 /nfs/dbraw/zinc/38/21/71/1125382171.db2.gz CANZZBKVOSNAQJ-NSHDSACASA-N 0 1 282.796 3.743 20 0 CHADMN c1cc(CN[C@@H](c2ccccc2)C2CCCCC2)n[nH]1 ZINC000041014759 1125388330 /nfs/dbraw/zinc/38/83/30/1125388330.db2.gz VELJKBDJWJKYAN-KRWDZBQOSA-N 0 1 269.392 3.821 20 0 CHADMN CCCO[C@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)CC1 ZINC000170989674 1125397671 /nfs/dbraw/zinc/39/76/71/1125397671.db2.gz PUMYWOCUQSPITB-AWEZNQCLSA-N 0 1 282.815 3.516 20 0 CHADMN CCCO[C@H]1CCCN(Cc2ccnc(Cl)c2)CC1 ZINC000170989674 1125397675 /nfs/dbraw/zinc/39/76/75/1125397675.db2.gz PUMYWOCUQSPITB-AWEZNQCLSA-N 0 1 282.815 3.516 20 0 CHADMN C[C@H]1Oc2ccccc2[C@@H]1NCc1scnc1C1CC1 ZINC000342416960 1125402606 /nfs/dbraw/zinc/40/26/06/1125402606.db2.gz HNLYAUXCFDCJLI-MEBBXXQBSA-N 0 1 286.400 3.632 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](C)CC1 ZINC000532487418 1125406728 /nfs/dbraw/zinc/40/67/28/1125406728.db2.gz NSWYWPZWWYWVOK-LBPRGKRZSA-N 0 1 294.826 3.709 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H](C)CC1 ZINC000532487418 1125406731 /nfs/dbraw/zinc/40/67/31/1125406731.db2.gz NSWYWPZWWYWVOK-LBPRGKRZSA-N 0 1 294.826 3.709 20 0 CHADMN F[C@H]1CCc2ccccc2[C@H]1NCc1[nH]nc2ccccc21 ZINC000883382806 1125406845 /nfs/dbraw/zinc/40/68/45/1125406845.db2.gz NORLDTMYQRLEAZ-MAUKXSAKSA-N 0 1 295.361 3.678 20 0 CHADMN C[C@@H](CN(C)[C@H](C)C(=O)Nc1ccccc1)c1ccccc1 ZINC000532518490 1125409459 /nfs/dbraw/zinc/40/94/59/1125409459.db2.gz DWSZSLRGNWJVMW-JKSUJKDBSA-N 0 1 296.414 3.749 20 0 CHADMN Cc1nc(C)c(CNc2nc3cc(C)ccc3[nH]2)s1 ZINC000883408206 1125409619 /nfs/dbraw/zinc/40/96/19/1125409619.db2.gz QJBJNZUMJGXSOC-UHFFFAOYSA-N 0 1 272.377 3.557 20 0 CHADMN CC1(C)Nc2ccccc2[C@@H]1NCc1cnc(Cl)s1 ZINC000883463586 1125411630 /nfs/dbraw/zinc/41/16/30/1125411630.db2.gz TZLPCNXGWVLABP-LBPRGKRZSA-N 0 1 293.823 3.832 20 0 CHADMN CCOc1ccc(CN[C@@H]2c3ccccc3NC2(C)C)nc1 ZINC000883464784 1125411725 /nfs/dbraw/zinc/41/17/25/1125411725.db2.gz WHCLKALBBOLTOF-QGZVFWFLSA-N 0 1 297.402 3.515 20 0 CHADMN CCCO[C@H]1CCCN(Cc2nc3ccccc3o2)CC1 ZINC000108392416 1125413876 /nfs/dbraw/zinc/41/38/76/1125413876.db2.gz VRELSXBRGMBIDC-AWEZNQCLSA-N 0 1 288.391 3.609 20 0 CHADMN CO[C@@]1(C)CCCN([C@H](C)c2cc(F)ccc2F)C1 ZINC000348231749 1125422535 /nfs/dbraw/zinc/42/25/35/1125422535.db2.gz PKCNLSGIIQSKKQ-ABAIWWIYSA-N 0 1 269.335 3.527 20 0 CHADMN CO[C@]1(C)CCCN([C@H](C)c2cc(F)ccc2F)C1 ZINC000348231752 1125422644 /nfs/dbraw/zinc/42/26/44/1125422644.db2.gz PKCNLSGIIQSKKQ-IAQYHMDHSA-N 0 1 269.335 3.527 20 0 CHADMN [O-]c1cccc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)c1Cl ZINC000717168393 1125422992 /nfs/dbraw/zinc/42/29/92/1125422992.db2.gz CBQNGLKKDUBVKZ-CYBMUJFWSA-N 0 1 295.810 3.627 20 0 CHADMN [O-]c1cccc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)c1Cl ZINC000717168397 1125423193 /nfs/dbraw/zinc/42/31/93/1125423193.db2.gz CBQNGLKKDUBVKZ-ZDUSSCGKSA-N 0 1 295.810 3.627 20 0 CHADMN CO[C@@]1(C)CCCN([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000348232466 1125423251 /nfs/dbraw/zinc/42/32/51/1125423251.db2.gz PWCCTZWPSCWGQU-NHYWBVRUSA-N 0 1 269.335 3.527 20 0 CHADMN Fc1ccc(N2CCN(C3CCCC3)CC2)c(Cl)c1 ZINC001168244357 1125429144 /nfs/dbraw/zinc/42/91/44/1125429144.db2.gz MPPKCDRRKWXJNR-UHFFFAOYSA-N 0 1 282.790 3.544 20 0 CHADMN Cc1ccc(-c2nnc([C@@H](C)N3CCC4(CCC4)C3)o2)cc1 ZINC000123518248 1125431408 /nfs/dbraw/zinc/43/14/08/1125431408.db2.gz ZGYHGIXRYHHXCM-CQSZACIVSA-N 0 1 297.402 3.982 20 0 CHADMN CC(C)(C)n1cc(C[N@H+]2CCC[C@@H]2c2ccccc2)cn1 ZINC000123678818 1125432219 /nfs/dbraw/zinc/43/22/19/1125432219.db2.gz SEWGQGSPKLOQPF-QGZVFWFLSA-N 0 1 283.419 3.975 20 0 CHADMN CCOc1cc(CN2CCC[C@@H]2C)cc(Cl)c1OC ZINC000124283834 1125435945 /nfs/dbraw/zinc/43/59/45/1125435945.db2.gz JZFGXJXCYLVZIO-NSHDSACASA-N 0 1 283.799 3.732 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2ccc(C)cn2)cc1 ZINC000124430263 1125438855 /nfs/dbraw/zinc/43/88/55/1125438855.db2.gz MJAWXEXAXMRROQ-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN C[C@@H]1CC[C@@H](N(C)Cc2csc(-c3ccccn3)n2)C1 ZINC000429559458 1125439340 /nfs/dbraw/zinc/43/93/40/1125439340.db2.gz HNWUXLIOCTYHQC-TZMCWYRMSA-N 0 1 287.432 3.826 20 0 CHADMN CC(C)C[C@@H](NCc1cn2cccnc2n1)c1ccccc1 ZINC000124435903 1125439385 /nfs/dbraw/zinc/43/93/85/1125439385.db2.gz UBHHKMSTAHZJSS-QGZVFWFLSA-N 0 1 294.402 3.606 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1CC(=O)c1cc(C)n(CC)c1C ZINC000124594723 1125440555 /nfs/dbraw/zinc/44/05/55/1125440555.db2.gz NPHLIEYFJSNGIT-DOMZBBRYSA-N 0 1 276.424 3.570 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000125139481 1125445060 /nfs/dbraw/zinc/44/50/60/1125445060.db2.gz YMDJHVVHUXHXPK-CYBMUJFWSA-N 0 1 289.448 3.671 20 0 CHADMN CCS[C@@H](C)c1noc(CN(C)C(C2CC2)C2CC2)n1 ZINC000125073917 1125445190 /nfs/dbraw/zinc/44/51/90/1125445190.db2.gz GHQVSTPEMXWVRT-JTQLQIEISA-N 0 1 295.452 3.504 20 0 CHADMN CCC[C@H](NCc1cc(C)no1)c1ccc(OC)cc1 ZINC000125517385 1125449069 /nfs/dbraw/zinc/44/90/69/1125449069.db2.gz MSTCYMXNOMEZDO-INIZCTEOSA-N 0 1 274.364 3.623 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1nc(-c2ccsc2)no1 ZINC000108918063 1125456698 /nfs/dbraw/zinc/45/66/98/1125456698.db2.gz LKSMIDSWOAQTPF-GHMZBOCLSA-N 0 1 277.393 3.561 20 0 CHADMN Cc1nc[nH]c1C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000635461241 1129182314 /nfs/dbraw/zinc/18/23/14/1129182314.db2.gz ZPQDMYYGVZZHLE-UHFFFAOYSA-N 0 1 298.390 3.715 20 0 CHADMN CC[C@@H](C)Sc1ccc(NC(=O)[C@@H](C)N(C)C)c(C)c1 ZINC000635457123 1129182338 /nfs/dbraw/zinc/18/23/38/1129182338.db2.gz CELSOKRJTWHCPA-CHWSQXEVSA-N 0 1 294.464 3.774 20 0 CHADMN CC[C@H](C)Sc1ccc(NC(=O)[C@@H](C)N(C)C)c(C)c1 ZINC000635457132 1129182347 /nfs/dbraw/zinc/18/23/47/1129182347.db2.gz CELSOKRJTWHCPA-QWHCGFSZSA-N 0 1 294.464 3.774 20 0 CHADMN O=C(Nc1cccc(C(F)F)c1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635470271 1129182437 /nfs/dbraw/zinc/18/24/37/1129182437.db2.gz BUYVCWCEEJALJL-AWEZNQCLSA-N 0 1 294.345 3.580 20 0 CHADMN O=C(Nc1cccc(C(F)F)c1)[C@@H]1CCN1C1CCCC1 ZINC000635470271 1129182438 /nfs/dbraw/zinc/18/24/38/1129182438.db2.gz BUYVCWCEEJALJL-AWEZNQCLSA-N 0 1 294.345 3.580 20 0 CHADMN CCOc1cncc(CN2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000621713316 1129184944 /nfs/dbraw/zinc/18/49/44/1129184944.db2.gz GNCXGCFDXKQOJH-GOSISDBHSA-N 0 1 298.386 3.523 20 0 CHADMN CC1(c2ccccc2)CN(CC2=Cc3ccccc3OC2)C1 ZINC000621734849 1129188858 /nfs/dbraw/zinc/18/88/58/1129188858.db2.gz XUWODHGNGNFHOC-UHFFFAOYSA-N 0 1 291.394 3.736 20 0 CHADMN c1cc(CC2CN(CC3=Cc4ccccc4OC3)C2)cs1 ZINC000621741341 1129189555 /nfs/dbraw/zinc/18/95/55/1129189555.db2.gz NHKJUGIIWCBWQO-UHFFFAOYSA-N 0 1 297.423 3.698 20 0 CHADMN CCC[C@H](NCc1cc(OC)ccc1F)c1cccnc1 ZINC000621766531 1129191389 /nfs/dbraw/zinc/19/13/89/1129191389.db2.gz VUEUUNVIOBYXLW-KRWDZBQOSA-N 0 1 288.366 3.860 20 0 CHADMN Cc1oc(-c2ccccc2)nc1CN1C2CCC1CC2 ZINC000635910037 1129193589 /nfs/dbraw/zinc/19/35/89/1129193589.db2.gz RLKJTXBUJIFJKH-UHFFFAOYSA-N 0 1 268.360 3.777 20 0 CHADMN C[C@H](CCC1CCCCC1)NC(=O)C(C)(C)c1cnc[nH]1 ZINC000621870871 1129201915 /nfs/dbraw/zinc/20/19/15/1129201915.db2.gz VJOJPNCHEVTGTQ-CYBMUJFWSA-N 0 1 291.439 3.553 20 0 CHADMN CC1=CC[C@](C)(C(=O)Nc2cccc(-c3cn[nH]n3)c2)CC1 ZINC000621949944 1129210031 /nfs/dbraw/zinc/21/00/31/1129210031.db2.gz ADZYCHQZAOIWGG-KRWDZBQOSA-N 0 1 296.374 3.547 20 0 CHADMN Cc1nocc1CN[C@@H]1CCC(C)(C)c2ccccc21 ZINC000293737029 1129212434 /nfs/dbraw/zinc/21/24/34/1129212434.db2.gz ZUPUTDOZGCBOQX-MRXNPFEDSA-N 0 1 270.376 3.885 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cccc3ccccc32)c2nccn21 ZINC000294076370 1129213635 /nfs/dbraw/zinc/21/36/35/1129213635.db2.gz LEHUAFODDOUONN-CXAGYDPISA-N 0 1 277.371 3.832 20 0 CHADMN Cc1ccc([C@H](NC(=O)c2cccc(F)c2O)C2CC2)cc1 ZINC001124698282 1131358497 /nfs/dbraw/zinc/35/84/97/1131358497.db2.gz LHUYGMUPHBCDNL-INIZCTEOSA-N 0 1 299.345 3.721 20 0 CHADMN COC(=O)c1sccc1CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000336888706 1129225897 /nfs/dbraw/zinc/22/58/97/1129225897.db2.gz FMDFSFDKQPOHOG-DGCLKSJQSA-N 0 1 281.421 3.545 20 0 CHADMN Cc1ncc([C@H](C)N(Cc2ccc(F)cc2)C2CC2)c(C)n1 ZINC000637811829 1129231232 /nfs/dbraw/zinc/23/12/32/1129231232.db2.gz XDYIUQQNDMELLM-ZDUSSCGKSA-N 0 1 299.393 3.958 20 0 CHADMN COc1cncc(CN(C)[C@@H](C)c2ccccc2)c1C ZINC000637871988 1129233519 /nfs/dbraw/zinc/23/35/19/1129233519.db2.gz XKIDQCNYXFTUMM-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN Cc1ncc([C@H](C)N(C)[C@H](C)c2ccc(F)cc2)c(C)n1 ZINC000637880290 1129233860 /nfs/dbraw/zinc/23/38/60/1129233860.db2.gz IBHMXSFRYINTFV-OLZOCXBDSA-N 0 1 287.382 3.987 20 0 CHADMN Cc1ncc([C@@H](C)N(C)[C@H](C)c2cccs2)c(C)n1 ZINC000637919115 1129237185 /nfs/dbraw/zinc/23/71/85/1129237185.db2.gz JJRRDXBSNXWGRE-VXGBXAGGSA-N 0 1 275.421 3.909 20 0 CHADMN CO[C@H](CNCc1coc(-c2cccs2)n1)CC(C)C ZINC000638433355 1129258506 /nfs/dbraw/zinc/25/85/06/1129258506.db2.gz YZJZYCRVJSPCJG-ZDUSSCGKSA-N 0 1 294.420 3.554 20 0 CHADMN Cc1cnc(CNCC2(c3ccc(Cl)cc3)CCC2)o1 ZINC000638490978 1129259929 /nfs/dbraw/zinc/25/99/29/1129259929.db2.gz FARNBTZBFILDQJ-UHFFFAOYSA-N 0 1 290.794 3.848 20 0 CHADMN Cn1ccnc1[C@H](N[C@@H]1CCCCc2ccccc21)C1CC1 ZINC000638475183 1129260189 /nfs/dbraw/zinc/26/01/89/1129260189.db2.gz VQCNTWHLNAXGDB-QZTJIDSGSA-N 0 1 295.430 3.929 20 0 CHADMN Fc1ccc([C@H](NCc2ccns2)C2CCC2)cc1 ZINC000638530617 1129261486 /nfs/dbraw/zinc/26/14/86/1129261486.db2.gz AKQBTFIAULUPDO-OAHLLOKOSA-N 0 1 276.380 3.913 20 0 CHADMN CCOC(CN(C)[C@H](C)c1cc2ccccc2o1)OCC ZINC000184928187 1129263973 /nfs/dbraw/zinc/26/39/73/1129263973.db2.gz YVLIUVQFWYOSSW-CYBMUJFWSA-N 0 1 291.391 3.825 20 0 CHADMN CCOC(CN(Cc1ccc(Cl)cc1)C1CC1)OCC ZINC000184949641 1129266293 /nfs/dbraw/zinc/26/62/93/1129266293.db2.gz RVZUWBXZZWSOCC-UHFFFAOYSA-N 0 1 297.826 3.704 20 0 CHADMN C[C@H](NCc1ccns1)c1cccc(N2CCCC2)c1 ZINC000638764763 1129269206 /nfs/dbraw/zinc/26/92/06/1129269206.db2.gz GZLZETUVIUTVPC-ZDUSSCGKSA-N 0 1 287.432 3.594 20 0 CHADMN Cc1cccc([C@H](N[C@H]2CS[C@H](C)C2)c2ccccn2)c1 ZINC000638813432 1129271137 /nfs/dbraw/zinc/27/11/37/1129271137.db2.gz GUNQCBDXEHCAGM-KYJSFNMBSA-N 0 1 298.455 3.963 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)[nH]1 ZINC000282576328 1129272924 /nfs/dbraw/zinc/27/29/24/1129272924.db2.gz AEYVEWQPWBCYFH-PVXIVEMSSA-N 0 1 297.402 3.665 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc3ccccc3s2)nn1 ZINC000282625430 1129274552 /nfs/dbraw/zinc/27/45/52/1129274552.db2.gz ALAVCZUNYRQHRS-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN C[C@@H]1SCCN(Cc2cccc(C(F)F)c2)[C@H]1C ZINC000348027696 1129275361 /nfs/dbraw/zinc/27/53/61/1129275361.db2.gz FXDVEVKEIYMQRI-QWRGUYRKSA-N 0 1 271.376 3.950 20 0 CHADMN C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1cccc(F)c1N ZINC000638968056 1129275914 /nfs/dbraw/zinc/27/59/14/1129275914.db2.gz FXQRFEANURREPO-GXSJLCMTSA-N 0 1 290.304 3.571 20 0 CHADMN CCN(Cc1ccncc1)Cc1cc(F)cc2cccnc21 ZINC000348073074 1129277118 /nfs/dbraw/zinc/27/71/18/1129277118.db2.gz LFZSDJKAYZPOEN-UHFFFAOYSA-N 0 1 295.361 3.791 20 0 CHADMN CCC1(C)CCN([C@@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000348076607 1129277368 /nfs/dbraw/zinc/27/73/68/1129277368.db2.gz OHCCTMBLAKNMDI-ZDUSSCGKSA-N 0 1 299.418 3.646 20 0 CHADMN CN(Cc1ccoc1)Cc1ccc(OC(F)F)cc1 ZINC000348060636 1129278446 /nfs/dbraw/zinc/27/84/46/1129278446.db2.gz NDVRWKDOJGEQIK-UHFFFAOYSA-N 0 1 267.275 3.513 20 0 CHADMN CC(C)C1(CNCc2cc(COC(C)(C)C)on2)CC1 ZINC000639062154 1129279536 /nfs/dbraw/zinc/27/95/36/1129279536.db2.gz WBALLKYTFGXYSR-UHFFFAOYSA-N 0 1 280.412 3.516 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN1C[C@@H]2CCCC[C@@]21C ZINC000626105139 1129280818 /nfs/dbraw/zinc/28/08/18/1129280818.db2.gz UXQXBIPGCLOGMJ-YJBOKZPZSA-N 0 1 286.419 3.506 20 0 CHADMN CC[C@H](N[C@@H](C)c1nc(C2CCCCC2)no1)C1CC1 ZINC000639096652 1129281084 /nfs/dbraw/zinc/28/10/84/1129281084.db2.gz HASJYNRMLOLFBU-FZMZJTMJSA-N 0 1 277.412 3.957 20 0 CHADMN CC[C@@](C)(CN[C@H](c1ccc(C)cc1)c1ccccn1)OC ZINC000639121042 1129283790 /nfs/dbraw/zinc/28/37/90/1129283790.db2.gz XJJIFIUEBMDHCR-MOPGFXCFSA-N 0 1 298.430 3.884 20 0 CHADMN CCC[C@H](CN[C@H](c1ccc(C)cc1)c1ccccn1)OC ZINC000639118262 1129283968 /nfs/dbraw/zinc/28/39/68/1129283968.db2.gz CHCMQOQQPZRQQY-IEBWSBKVSA-N 0 1 298.430 3.884 20 0 CHADMN COc1ccc([C@H]2C[C@@H]2[C@H](C)NC(C)(C)C(F)F)cc1 ZINC000639121015 1129284002 /nfs/dbraw/zinc/28/40/02/1129284002.db2.gz WTCAXKVSPMWGHC-ZLKJLUDKSA-N 0 1 283.362 3.821 20 0 CHADMN CCOC1CC(CNc2ccc(CN(C)C)c(Cl)c2)C1 ZINC000639125182 1129284587 /nfs/dbraw/zinc/28/45/87/1129284587.db2.gz QJZVIQFNEBMZDH-UHFFFAOYSA-N 0 1 296.842 3.629 20 0 CHADMN CC(C)(CNCc1nc2ccccc2o1)C(F)(F)F ZINC000639140683 1129286745 /nfs/dbraw/zinc/28/67/45/1129286745.db2.gz FGNAKOJBVUJMCG-UHFFFAOYSA-N 0 1 272.270 3.506 20 0 CHADMN C[C@@H](N[C@@H](c1nnc[nH]1)C1CCCCC1)c1ccsc1 ZINC000639142162 1129286801 /nfs/dbraw/zinc/28/68/01/1129286801.db2.gz VUFCIQQDMAQYDG-BXUZGUMPSA-N 0 1 290.436 3.838 20 0 CHADMN Cc1ncc([C@H](C)N2CCC=C(c3ccco3)C2)c(C)n1 ZINC000639157726 1129287662 /nfs/dbraw/zinc/28/76/62/1129287662.db2.gz RSGRLBOSNUBBRZ-ZDUSSCGKSA-N 0 1 283.375 3.537 20 0 CHADMN Cn1c(CN2CCC[C@@H]2c2cccnc2)cc2ccccc21 ZINC000639167775 1129288460 /nfs/dbraw/zinc/28/84/60/1129288460.db2.gz LAGLVEFZJKIJLD-LJQANCHMSA-N 0 1 291.398 3.910 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)[C@H](C)c1cnc(C)nc1C ZINC000639178542 1129288996 /nfs/dbraw/zinc/28/89/96/1129288996.db2.gz LRXNBFYOQSNKBV-DYVFJYSZSA-N 0 1 284.407 3.633 20 0 CHADMN Cc1scc(CN(Cc2ccccn2)C2CC2)c1C ZINC000639180428 1129289044 /nfs/dbraw/zinc/28/90/44/1129289044.db2.gz YRVKGCSAEVABKZ-UHFFFAOYSA-N 0 1 272.417 3.925 20 0 CHADMN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1Cc1ccns1 ZINC000639176862 1129289813 /nfs/dbraw/zinc/28/98/13/1129289813.db2.gz LXHOJPGHTOTYAL-AWEZNQCLSA-N 0 1 290.436 3.600 20 0 CHADMN Cc1cc(CNCc2ccc3cccnc3c2)c(C)o1 ZINC000734003450 1129291221 /nfs/dbraw/zinc/29/12/21/1129291221.db2.gz CIIFIFXIPBAUQB-UHFFFAOYSA-N 0 1 266.344 3.734 20 0 CHADMN Cc1scc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c1C ZINC000639196943 1129291309 /nfs/dbraw/zinc/29/13/09/1129291309.db2.gz DUNFDVWURFBCFD-CQSZACIVSA-N 0 1 295.839 3.662 20 0 CHADMN Cc1cnc(CNC[C@H]2CCC[C@@H]2c2ccccc2)o1 ZINC000639218951 1129294295 /nfs/dbraw/zinc/29/42/95/1129294295.db2.gz KBBQVMWURUFVPB-HZPDHXFCSA-N 0 1 270.376 3.657 20 0 CHADMN Cn1cc(Cl)c(CNC2CCC(=C3CCC3)CC2)n1 ZINC000639228306 1129295362 /nfs/dbraw/zinc/29/53/62/1129295362.db2.gz WEZQTQATANSCSW-UHFFFAOYSA-N 0 1 279.815 3.586 20 0 CHADMN Cc1ccc(CN(C)[C@@H](C)c2cnc(C)nc2C)cc1C ZINC000639242095 1129295786 /nfs/dbraw/zinc/29/57/86/1129295786.db2.gz QGJOEGGKJQQFJB-HNNXBMFYSA-N 0 1 283.419 3.903 20 0 CHADMN Cc1nonc1CN1CCC[C@@H]1c1cccc2ccccc21 ZINC000734146049 1129296988 /nfs/dbraw/zinc/29/69/88/1129296988.db2.gz GOHYVOCMWFOTLT-GOSISDBHSA-N 0 1 293.370 3.868 20 0 CHADMN c1cc2cc(N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)ccc2cn1 ZINC000639247008 1129297098 /nfs/dbraw/zinc/29/70/98/1129297098.db2.gz OBAQZONZGVMLME-BBWFWOEESA-N 0 1 280.371 3.604 20 0 CHADMN Cc1scc(CN2CC(CC(F)(F)F)C2)c1C ZINC000639252428 1129297342 /nfs/dbraw/zinc/29/73/42/1129297342.db2.gz HISBYOZSCZOHHM-UHFFFAOYSA-N 0 1 263.328 3.749 20 0 CHADMN Cc1cc(CNC2(c3ccccc3C)CC2)sn1 ZINC000639282933 1129298594 /nfs/dbraw/zinc/29/85/94/1129298594.db2.gz NBEXOVSVUPMFHU-UHFFFAOYSA-N 0 1 258.390 3.539 20 0 CHADMN Cc1ccc(C2(NCc3ccns3)CCC2)cc1 ZINC000639287517 1129300053 /nfs/dbraw/zinc/30/00/53/1129300053.db2.gz LYYIYMDIWNFULC-UHFFFAOYSA-N 0 1 258.390 3.621 20 0 CHADMN Cc1ccc(CC2CN([C@H](C)c3cnc(C)nc3C)C2)cc1 ZINC000639314995 1129301277 /nfs/dbraw/zinc/30/12/77/1129301277.db2.gz BKSOKQRIICADGR-OAHLLOKOSA-N 0 1 295.430 3.637 20 0 CHADMN CCc1ccc(C)[nH+]c1N[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000639306303 1129301747 /nfs/dbraw/zinc/30/17/47/1129301747.db2.gz BKCFCCKFUAGVKT-HNNXBMFYSA-N 0 1 299.422 3.804 20 0 CHADMN CCc1ccc(C)nc1N[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000639306303 1129301751 /nfs/dbraw/zinc/30/17/51/1129301751.db2.gz BKCFCCKFUAGVKT-HNNXBMFYSA-N 0 1 299.422 3.804 20 0 CHADMN CC(C)CCO[C@@H]1CCN(Cc2ccc(C(F)F)nc2)C1 ZINC000639341492 1129304667 /nfs/dbraw/zinc/30/46/67/1129304667.db2.gz WSZWZVYKJPLXTF-CQSZACIVSA-N 0 1 298.377 3.656 20 0 CHADMN CC[C@](C)(NCc1oc(C)nc1C)c1ccc(F)cc1 ZINC000639360657 1129306700 /nfs/dbraw/zinc/30/67/00/1129306700.db2.gz ZYTWHGSUSZGZPK-INIZCTEOSA-N 0 1 276.355 3.846 20 0 CHADMN C/C(=C\c1ccccc1C(F)(F)F)CNCc1ncc[nH]1 ZINC000639371888 1129307241 /nfs/dbraw/zinc/30/72/41/1129307241.db2.gz LPHJBBQNFPGSMP-DHZHZOJOSA-N 0 1 295.308 3.622 20 0 CHADMN CC(C)Oc1ccc(CN2CC(C)(C)OCC2(C)C)cc1 ZINC000734485294 1129309938 /nfs/dbraw/zinc/30/99/38/1129309938.db2.gz HLRWZLVPFFLCDL-UHFFFAOYSA-N 0 1 291.435 3.863 20 0 CHADMN Cc1ccc(CN(Cc2cccc3c2CCOC3)C2CC2)o1 ZINC000639454370 1129316790 /nfs/dbraw/zinc/31/67/90/1129316790.db2.gz YKJKVVTZISNKGC-UHFFFAOYSA-N 0 1 297.398 3.825 20 0 CHADMN C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cc1cc[nH]c(=O)c1 ZINC000639518793 1129320219 /nfs/dbraw/zinc/32/02/19/1129320219.db2.gz BOZGZBXYPHVKMH-LLVKDONJSA-N 0 1 299.399 3.590 20 0 CHADMN C[C@H](c1nc2ccccc2s1)N(C)Cc1cc[nH]c(=O)c1 ZINC000639518793 1129320223 /nfs/dbraw/zinc/32/02/23/1129320223.db2.gz BOZGZBXYPHVKMH-LLVKDONJSA-N 0 1 299.399 3.590 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)C(=O)c1cccc(F)c1O ZINC001124879060 1131366180 /nfs/dbraw/zinc/36/61/80/1131366180.db2.gz UXHMRWCSBADLID-JTQLQIEISA-N 0 1 291.297 3.504 20 0 CHADMN Cc1cc(C)c(C[N@H+]2CCC[C@@H]2c2ccccn2)c(C)n1 ZINC000639513188 1129321206 /nfs/dbraw/zinc/32/12/06/1129321206.db2.gz DVWGKGMGPYNQMO-GOSISDBHSA-N 0 1 281.403 3.739 20 0 CHADMN CC[C@H](C)N(C)Cc1coc(-c2cccc(OC)c2)n1 ZINC000639528637 1129321463 /nfs/dbraw/zinc/32/14/63/1129321463.db2.gz YBXDUIJTPLVEAH-LBPRGKRZSA-N 0 1 274.364 3.581 20 0 CHADMN CC(C)N(Cc1nc(C2CCC2)no1)C1CCCCC1 ZINC000639526887 1129321642 /nfs/dbraw/zinc/32/16/42/1129321642.db2.gz OEBBFEJERXCMCY-UHFFFAOYSA-N 0 1 277.412 3.880 20 0 CHADMN COc1cccc(-c2nc(CN3CCC4(CC4)CC3)co2)c1 ZINC000639550928 1129322634 /nfs/dbraw/zinc/32/26/34/1129322634.db2.gz DQVMIGQUQPQLSM-UHFFFAOYSA-N 0 1 298.386 3.726 20 0 CHADMN C[C@@H](NCc1nc(C2CCC2)no1)[C@H](C)c1ccccc1 ZINC000639570546 1129323577 /nfs/dbraw/zinc/32/35/77/1129323577.db2.gz POCAOMPDFRXGMB-QWHCGFSZSA-N 0 1 285.391 3.619 20 0 CHADMN O=C(c1cc(C(F)F)[nH]n1)N1CCC2(CCCCC2)CC1 ZINC000639649770 1129328478 /nfs/dbraw/zinc/32/84/78/1129328478.db2.gz SWBDEHWWVBRPDP-UHFFFAOYSA-N 0 1 297.349 3.534 20 0 CHADMN CC1(C)CO[C@@H](CN2CC3(CCC3)[C@H]2c2ccco2)C1 ZINC000639664644 1129328645 /nfs/dbraw/zinc/32/86/45/1129328645.db2.gz ILCIFJPEHRLXOB-UKRRQHHQSA-N 0 1 275.392 3.622 20 0 CHADMN CC(C)c1n[nH]c(COC(=O)C[C@@H]2CCCC(C)(C)C2)n1 ZINC000795485926 1129330929 /nfs/dbraw/zinc/33/09/29/1129330929.db2.gz ROZHRRKDBJHAQU-LBPRGKRZSA-N 0 1 293.411 3.578 20 0 CHADMN CC(C)c1nc(COC(=O)C[C@@H]2CCCC(C)(C)C2)n[nH]1 ZINC000795485926 1129330933 /nfs/dbraw/zinc/33/09/33/1129330933.db2.gz ROZHRRKDBJHAQU-LBPRGKRZSA-N 0 1 293.411 3.578 20 0 CHADMN COc1ccccc1[C@H](N[C@H]1CC[C@@H](C)C1)c1ccccn1 ZINC000090913338 1129335307 /nfs/dbraw/zinc/33/53/07/1129335307.db2.gz HTBWJJGFQMDFIZ-VCBZYWHSSA-N 0 1 296.414 3.958 20 0 CHADMN Cc1cccc(CCCN2CCC[C@H]2c2ncccn2)c1 ZINC000639871802 1129337160 /nfs/dbraw/zinc/33/71/60/1129337160.db2.gz QOCXSXJOIILAIX-KRWDZBQOSA-N 0 1 281.403 3.555 20 0 CHADMN CCc1ccc(CC)c(NC(=O)c2cc(C(F)F)n[nH]2)c1 ZINC000639887921 1129337887 /nfs/dbraw/zinc/33/78/87/1129337887.db2.gz SDKLLEXJNSKKJM-UHFFFAOYSA-N 0 1 293.317 3.724 20 0 CHADMN C[C@H]1C[C@@H](NCc2nc3c(s2)CCC3)c2ccccc21 ZINC000719557099 1129344508 /nfs/dbraw/zinc/34/45/08/1129344508.db2.gz BCKLTIHAQWBMIG-XHDPSFHLSA-N 0 1 284.428 3.970 20 0 CHADMN Cc1ccc2c(c1)CCN2C(=O)c1ccc(O)c(Cl)c1 ZINC000091257378 1129353825 /nfs/dbraw/zinc/35/38/25/1129353825.db2.gz NAIFIQZUQYHXOF-UHFFFAOYSA-N 0 1 287.746 3.557 20 0 CHADMN Cc1nnc([C@H](C)N(C)C[C@@H](C)C(C)(C)C)s1 ZINC000640350882 1129355339 /nfs/dbraw/zinc/35/53/39/1129355339.db2.gz UUKUHIVSJUJDJI-ZJUUUORDSA-N 0 1 255.431 3.522 20 0 CHADMN CCc1n[nH]cc1-c1nc(-c2ccc(C(C)C)cc2)no1 ZINC001212885293 1129357488 /nfs/dbraw/zinc/35/74/88/1129357488.db2.gz FOAJIOMPLKWQRQ-UHFFFAOYSA-N 0 1 282.347 3.813 20 0 CHADMN CCCCCCN(C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000735791584 1129357908 /nfs/dbraw/zinc/35/79/08/1129357908.db2.gz TVZJVYFZRRFGNH-UHFFFAOYSA-N 0 1 291.370 3.888 20 0 CHADMN CCCCCCNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000735842605 1129359374 /nfs/dbraw/zinc/35/93/74/1129359374.db2.gz CBOLFWSOPPQJPA-UHFFFAOYSA-N 0 1 297.402 3.557 20 0 CHADMN Cc1cccc(CN(C)Cc2cccc(Cl)n2)c1 ZINC000091439379 1129361591 /nfs/dbraw/zinc/36/15/91/1129361591.db2.gz TWYPGKCIWBXVFN-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN C[C@@H](N[C@H]1CCCc2cccnc21)c1ccc(F)cc1 ZINC000091660254 1129367799 /nfs/dbraw/zinc/36/77/99/1129367799.db2.gz ZQVXMFWBGYJJPI-WBMJQRKESA-N 0 1 270.351 3.949 20 0 CHADMN C=Cc1nc(CN(CC)CC)nc2sc(C)c(C)c21 ZINC001240828876 1129369120 /nfs/dbraw/zinc/36/91/20/1129369120.db2.gz DOXFZLCITIUPDZ-UHFFFAOYSA-N 0 1 275.421 3.793 20 0 CHADMN CC1(C)CCCC[C@H]1Cn1cc([C@@H](N)c2ccccc2)nn1 ZINC000641161374 1129375388 /nfs/dbraw/zinc/37/53/88/1129375388.db2.gz XWBGSJNTPLGNSD-RDJZCZTQSA-N 0 1 298.434 3.543 20 0 CHADMN CC(C)[C@@H](NCc1ccccc1N(C)C)c1ccccn1 ZINC000736647691 1129378522 /nfs/dbraw/zinc/37/85/22/1129378522.db2.gz MASFAPCNVDRLHP-GOSISDBHSA-N 0 1 283.419 3.635 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1ccc(SC)o1 ZINC000641746088 1129389567 /nfs/dbraw/zinc/38/95/67/1129389567.db2.gz MOSZAQXTLHOXQU-NSHDSACASA-N 0 1 276.405 3.810 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CNc1ccc2c[nH]nc2c1 ZINC000641783414 1129392280 /nfs/dbraw/zinc/39/22/80/1129392280.db2.gz SJTZKAPPLJHNOM-UHFFFAOYSA-N 0 1 297.406 3.743 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1Cc1nnc(C(C)(C)C)o1 ZINC000738314742 1129392681 /nfs/dbraw/zinc/39/26/81/1129392681.db2.gz RHZKHLICCZFSOF-CHWSQXEVSA-N 0 1 279.428 3.768 20 0 CHADMN CCc1ncc(CN(C)Cc2c(C)cccc2C)s1 ZINC000738315571 1129393366 /nfs/dbraw/zinc/39/33/66/1129393366.db2.gz XNWSXEFWCFLWNS-UHFFFAOYSA-N 0 1 274.433 3.954 20 0 CHADMN COc1c(C)cnc(CNCc2cc(C)cc(C)c2)c1C ZINC000065276228 1129403522 /nfs/dbraw/zinc/40/35/22/1129403522.db2.gz BTHZLYRGUXEFMK-UHFFFAOYSA-N 0 1 284.403 3.614 20 0 CHADMN CN(Cc1ccccc1)Cc1ccccc1OC(F)F ZINC000642187420 1129409343 /nfs/dbraw/zinc/40/93/43/1129409343.db2.gz DHRURWAYQJNNDU-UHFFFAOYSA-N 0 1 277.314 3.920 20 0 CHADMN CC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(C)cc2F)C1 ZINC000642330311 1129414557 /nfs/dbraw/zinc/41/45/57/1129414557.db2.gz WNKRBKCLRZHNLW-ZIAGYGMSSA-N 0 1 292.398 3.583 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCCN(C)Cc1ccc(F)c(F)c1 ZINC000642526255 1129419813 /nfs/dbraw/zinc/41/98/13/1129419813.db2.gz LHTHRZZFGJXRID-DYVFJYSZSA-N 0 1 297.389 3.992 20 0 CHADMN C[C@H](C(=O)OCc1ccccc1Cl)N1[C@H](C)CC[C@H]1C ZINC000741021524 1129426571 /nfs/dbraw/zinc/42/65/71/1129426571.db2.gz ORDUTVBRASMIOO-JHJVBQTASA-N 0 1 295.810 3.645 20 0 CHADMN C[C@H](C(=O)OC[C@@H](C)c1ccccc1)N1CCCCCC1 ZINC000741030229 1129426594 /nfs/dbraw/zinc/42/65/94/1129426594.db2.gz VLASWGHWICVZPD-HZPDHXFCSA-N 0 1 289.419 3.598 20 0 CHADMN C[C@H](OC(=O)[C@H](C)N1CCCCCC1)c1cccc(F)c1 ZINC000741028215 1129427766 /nfs/dbraw/zinc/42/77/66/1129427766.db2.gz DXTQQGVPJHPXTE-KBPBESRZSA-N 0 1 293.382 3.694 20 0 CHADMN C[C@H]1CC[C@H](c2ccccc2)N(Cn2cc[nH]c2=S)C1 ZINC000795704218 1129432108 /nfs/dbraw/zinc/43/21/08/1129432108.db2.gz OKKJOUWFXFYAJB-DZGCQCFKSA-N 0 1 287.432 3.603 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)CCCC3CC3)c2C)o1 ZINC000643233035 1129433588 /nfs/dbraw/zinc/43/35/88/1129433588.db2.gz BVWBVPNIIJXTPX-UHFFFAOYSA-N 0 1 287.363 3.805 20 0 CHADMN c1cnc2c(c1)CCC[C@@H]2Nc1cc2c(cn1)CCCC2 ZINC000643323027 1129438464 /nfs/dbraw/zinc/43/84/64/1129438464.db2.gz COZPITYCBGOIHJ-INIZCTEOSA-N 0 1 279.387 3.845 20 0 CHADMN Cc1nc2cc(-c3cc(F)cc(F)c3F)ccc2[nH]1 ZINC001241094584 1129439260 /nfs/dbraw/zinc/43/92/60/1129439260.db2.gz FIKHCAAUUQBVSI-UHFFFAOYSA-N 0 1 262.234 3.956 20 0 CHADMN COc1ccc2ccccc2c1CN[C@H](C)c1c[nH]nc1C ZINC000180034146 1129447274 /nfs/dbraw/zinc/44/72/74/1129447274.db2.gz CUDIFYPSTIAOFL-GFCCVEGCSA-N 0 1 295.386 3.731 20 0 CHADMN Clc1ncccc1CNc1nccn1Cc1ccccc1 ZINC000795803922 1129449192 /nfs/dbraw/zinc/44/91/92/1129449192.db2.gz UBLZHHKGMBCHMT-UHFFFAOYSA-N 0 1 298.777 3.592 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@H]1CCSc2c(F)cccc21 ZINC000180101241 1129450002 /nfs/dbraw/zinc/45/00/02/1129450002.db2.gz NZFRWBJHTISSDX-OTYXRUKQSA-N 0 1 291.395 3.745 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnc(Cl)c1)c1cncs1 ZINC000795836329 1129450995 /nfs/dbraw/zinc/45/09/95/1129450995.db2.gz AOHCATXCTVHPDO-DTWKUNHWSA-N 0 1 267.785 3.603 20 0 CHADMN C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000795916779 1129456312 /nfs/dbraw/zinc/45/63/12/1129456312.db2.gz NLNQPNRVNBAXIN-AUUYWEPGSA-N 0 1 299.389 3.869 20 0 CHADMN C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000795916780 1129456467 /nfs/dbraw/zinc/45/64/67/1129456467.db2.gz NLNQPNRVNBAXIN-IFXJQAMLSA-N 0 1 299.389 3.869 20 0 CHADMN Cc1ccc(-c2csc(CN3CC[C@@H]4C[C@@H]43)n2)cc1 ZINC000795975906 1129460907 /nfs/dbraw/zinc/46/09/07/1129460907.db2.gz LCCRWGIUYVMYQF-HIFRSBDPSA-N 0 1 270.401 3.713 20 0 CHADMN c1coc(C2=CCCN(Cc3cccc4nsnc43)C2)c1 ZINC000796124811 1129467857 /nfs/dbraw/zinc/46/78/57/1129467857.db2.gz UUICNYURRJHNOE-UHFFFAOYSA-N 0 1 297.383 3.574 20 0 CHADMN C[C@@H](c1nc(-c2ccccc2)no1)N1CCC(C2CC2)CC1 ZINC000644719508 1129476586 /nfs/dbraw/zinc/47/65/86/1129476586.db2.gz YSGUTDPTESCFCP-ZDUSSCGKSA-N 0 1 297.402 3.920 20 0 CHADMN CC(=CC(=O)N[C@@H](C)c1nc2ccccc2[nH]1)C(C)(C)C ZINC000742500552 1129482718 /nfs/dbraw/zinc/48/27/18/1129482718.db2.gz DQEOUIVIFADHHJ-IIANPFDCSA-N 0 1 285.391 3.733 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1n[nH]c(C(C)(C)C)n1 ZINC000644994085 1129483451 /nfs/dbraw/zinc/48/34/51/1129483451.db2.gz DYSQUIYYVZWZOJ-HNNXBMFYSA-N 0 1 298.434 3.612 20 0 CHADMN CC(C)[C@H]1CN(c2ccnc3cc(F)ccc32)CCCO1 ZINC000645066295 1129486274 /nfs/dbraw/zinc/48/62/74/1129486274.db2.gz RGWRCCJRDUOQTE-QGZVFWFLSA-N 0 1 288.366 3.625 20 0 CHADMN COc1ccc(F)c(CN[C@@H]2CCc3ccc(C)cc32)c1 ZINC000645153620 1129489176 /nfs/dbraw/zinc/48/91/76/1129489176.db2.gz BSAZKFAXRVWAKA-GOSISDBHSA-N 0 1 285.362 3.920 20 0 CHADMN [O-]c1cccc(C[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)c1Cl ZINC000645157389 1129489270 /nfs/dbraw/zinc/48/92/70/1129489270.db2.gz WDBBZHIJHKKZLQ-LSDHHAIUSA-N 0 1 287.790 3.766 20 0 CHADMN [O-]c1cccc(C[NH2+]CCCc2cccc(F)c2)c1Cl ZINC000645154783 1129489309 /nfs/dbraw/zinc/48/93/09/1129489309.db2.gz SJYLGJYPENELPS-UHFFFAOYSA-N 0 1 293.769 3.907 20 0 CHADMN CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1cccc([O-])c1Cl ZINC000645160847 1129489669 /nfs/dbraw/zinc/48/96/69/1129489669.db2.gz LTEARERIZLVONY-XJKSGUPXSA-N 0 1 297.826 3.586 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1Cl ZINC000645165628 1129490197 /nfs/dbraw/zinc/49/01/97/1129490197.db2.gz ZLGJXXSVPJMAKH-BFYDXBDKSA-N 0 1 299.801 3.721 20 0 CHADMN COc1ccc(F)c(CNC(C)(C)CC(F)(F)F)c1 ZINC000645175057 1129490383 /nfs/dbraw/zinc/49/03/83/1129490383.db2.gz ZINASDQYZROZJL-UHFFFAOYSA-N 0 1 279.277 3.655 20 0 CHADMN C[C@@H]1CN(c2ccnc3ccccc32)CC2(CCCC2)O1 ZINC000645405798 1129497355 /nfs/dbraw/zinc/49/73/55/1129497355.db2.gz KJYVQQFGYIODCC-CQSZACIVSA-N 0 1 282.387 3.773 20 0 CHADMN CCc1noc(C)c1CN[C@H]1CCCNc2ccccc21 ZINC000645480682 1129499385 /nfs/dbraw/zinc/49/93/85/1129499385.db2.gz GEHWIYKUDBITAY-KRWDZBQOSA-N 0 1 285.391 3.582 20 0 CHADMN C[C@H](CC[N@H+]1CCCC[C@H]1CCC(=O)[O-])c1ccccc1 ZINC000251165849 1129513423 /nfs/dbraw/zinc/51/34/23/1129513423.db2.gz DAQNUCMJYFQILR-WBVHZDCISA-N 0 1 289.419 3.900 20 0 CHADMN Cc1cccc(C2(NCc3ccccn3)CCC2)c1 ZINC000646021543 1129518444 /nfs/dbraw/zinc/51/84/44/1129518444.db2.gz JIUDLQNMSYXNBQ-UHFFFAOYSA-N 0 1 252.361 3.559 20 0 CHADMN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)CCC(C)(C)C ZINC000646028162 1129519473 /nfs/dbraw/zinc/51/94/73/1129519473.db2.gz OVDCURKENDBRRR-LBPRGKRZSA-N 0 1 287.407 3.764 20 0 CHADMN Cc1ccc(CN[C@@H](CCO)c2ccccc2F)c(C)c1 ZINC000646070461 1129520393 /nfs/dbraw/zinc/52/03/93/1129520393.db2.gz WGXWCVBKZNOQAW-SFHVURJKSA-N 0 1 287.378 3.656 20 0 CHADMN CCCCN(CC)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743349258 1129521907 /nfs/dbraw/zinc/52/19/07/1129521907.db2.gz RGGKYESQPHAZFU-OAHLLOKOSA-N 0 1 294.826 3.693 20 0 CHADMN CC(C)c1nc(CN2CC3(C[C@H]2C)CCOCC3)cs1 ZINC000646099742 1129523344 /nfs/dbraw/zinc/52/33/44/1129523344.db2.gz BXSYFIOSDLDUFC-CYBMUJFWSA-N 0 1 294.464 3.658 20 0 CHADMN Cc1ccc(C2(NCc3ccccn3)CCC2)cc1 ZINC000646131420 1129525544 /nfs/dbraw/zinc/52/55/44/1129525544.db2.gz SJUKTXILZRQICD-UHFFFAOYSA-N 0 1 252.361 3.559 20 0 CHADMN Cc1ncc2c(n1)CCC[C@@H]2N[C@H](C)c1cccc(F)c1 ZINC000743477743 1129527320 /nfs/dbraw/zinc/52/73/20/1129527320.db2.gz UWCMHLNAWDXQIU-BZNIZROVSA-N 0 1 285.366 3.652 20 0 CHADMN O=C(/C=C\Sc1ccccc1)Nc1ccc2nc[nH]c2c1 ZINC000743941762 1129543903 /nfs/dbraw/zinc/54/39/03/1129543903.db2.gz ZYQNUENHYQIXIE-HJWRWDBZSA-N 0 1 295.367 3.807 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2ccc(OC(C)C)cc2)n1 ZINC000647130684 1129551193 /nfs/dbraw/zinc/55/11/93/1129551193.db2.gz ZTUMJTUEENEZPE-AWEZNQCLSA-N 0 1 289.379 3.570 20 0 CHADMN Cc1cccc2cc(-c3nc([C@@H]4CCCN4)no3)sc21 ZINC000647145435 1129552078 /nfs/dbraw/zinc/55/20/78/1129552078.db2.gz VVWCBLXASROUBN-NSHDSACASA-N 0 1 285.372 3.684 20 0 CHADMN CC(C)=C[C@H]1[C@@H](c2nc(C3(N)CCCC3)no2)C1(C)C ZINC000647137780 1129552358 /nfs/dbraw/zinc/55/23/58/1129552358.db2.gz UAQJIRSNWYALIS-RYUDHWBXSA-N 0 1 275.396 3.503 20 0 CHADMN C1CN[C@H](c2noc([C@@H]3CCC[C@H]4CCCC[C@H]43)n2)C1 ZINC000647145521 1129552382 /nfs/dbraw/zinc/55/23/82/1129552382.db2.gz YAZIGYZIIGWOLO-SYQHCUMBSA-N 0 1 275.396 3.568 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2C[C@H]2CC(C)(C)C)n1 ZINC000647134896 1129552412 /nfs/dbraw/zinc/55/24/12/1129552412.db2.gz NMJZCXOSVOPIQX-TUAOUCFPSA-N 0 1 265.401 3.655 20 0 CHADMN CC(C)Cn1nccc1CNCc1cc2ccccc2o1 ZINC000647171798 1129553665 /nfs/dbraw/zinc/55/36/65/1129553665.db2.gz WYPITAMIIXCRJR-UHFFFAOYSA-N 0 1 283.375 3.575 20 0 CHADMN C[C@@H]1C[C@H](N[C@H](CC(F)(F)F)c2ccc(F)cc2)CO1 ZINC000647198513 1129556066 /nfs/dbraw/zinc/55/60/66/1129556066.db2.gz JQWUFVDBFVJRJG-JIMOISOXSA-N 0 1 291.288 3.586 20 0 CHADMN CC(C)Cn1nccc1CN[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000647214504 1129557159 /nfs/dbraw/zinc/55/71/59/1129557159.db2.gz CDEKRIWWNFDYAT-RHSMWYFYSA-N 0 1 299.418 3.541 20 0 CHADMN COc1ccccc1C1(NCc2ccc(C)s2)CC1 ZINC000647233125 1129558928 /nfs/dbraw/zinc/55/89/28/1129558928.db2.gz UQUWEFMTYMLAQX-UHFFFAOYSA-N 0 1 273.401 3.844 20 0 CHADMN COCc1ccc(CNC2(c3cccc(C)c3)CCC2)o1 ZINC000647236856 1129559628 /nfs/dbraw/zinc/55/96/28/1129559628.db2.gz OPIAHDKBYYMPAF-UHFFFAOYSA-N 0 1 285.387 3.903 20 0 CHADMN CCc1ncc(CNC2(c3ccc(C)cc3)CCC2)cn1 ZINC000647254980 1129561267 /nfs/dbraw/zinc/56/12/67/1129561267.db2.gz XONCQIAWNIBSAO-UHFFFAOYSA-N 0 1 281.403 3.516 20 0 CHADMN Cc1ccoc1CN[C@H](CC(C)C)c1ccncc1 ZINC000647304449 1129566206 /nfs/dbraw/zinc/56/62/06/1129566206.db2.gz OGPHQSNAAVDIKS-OAHLLOKOSA-N 0 1 258.365 3.860 20 0 CHADMN CC[C@H](C)C[C@H](CO)N[C@H](c1ccccc1)c1ccccn1 ZINC000647337997 1129571219 /nfs/dbraw/zinc/57/12/19/1129571219.db2.gz YMZKHXOBEYMCPB-KVSKMBFKSA-N 0 1 298.430 3.558 20 0 CHADMN CC[C@H](C)C[C@H](CO)N[C@@H](C)c1csc(C(C)C)n1 ZINC000647336814 1129571320 /nfs/dbraw/zinc/57/13/20/1129571320.db2.gz GSOFQASPLOPFLT-RWMBFGLXSA-N 0 1 284.469 3.714 20 0 CHADMN CC[C@](C)(NC[C@@]1(C)CC1(Cl)Cl)c1nccs1 ZINC000828333377 1131382829 /nfs/dbraw/zinc/38/28/29/1131382829.db2.gz GLDITLDWNXBVNL-MNOVXSKESA-N 0 1 293.263 3.942 20 0 CHADMN Cc1cccc2c1CC[C@H]2N[C@@H](CCO)c1ccccc1F ZINC000647345119 1129572251 /nfs/dbraw/zinc/57/22/51/1129572251.db2.gz DXKHMXOVGVTDDU-MOPGFXCFSA-N 0 1 299.389 3.835 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](CCO)c2ccccc2F)cc1 ZINC000647345354 1129572485 /nfs/dbraw/zinc/57/24/85/1129572485.db2.gz IDCIVSYDRWGMOZ-KDOFPFPSSA-N 0 1 287.378 3.908 20 0 CHADMN FC1CCC(CN[C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000647350021 1129573267 /nfs/dbraw/zinc/57/32/67/1129573267.db2.gz QUOCLDOIHWLZNI-BCLQGDPASA-N 0 1 287.382 3.617 20 0 CHADMN CC[C@H](C)CC(=O)Nc1ccccc1Nc1ccncc1 ZINC000647642276 1129583370 /nfs/dbraw/zinc/58/33/70/1129583370.db2.gz GEPZUKRDVYQZKH-ZDUSSCGKSA-N 0 1 283.375 3.622 20 0 CHADMN CCC[C@@H](C)CC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000647826687 1129585601 /nfs/dbraw/zinc/58/56/01/1129585601.db2.gz SIJFKXHXJLONBF-LLVKDONJSA-N 0 1 287.363 3.547 20 0 CHADMN CCOC(=O)c1cc2cc(-c3ccccc3F)cnc2[nH]1 ZINC001239555571 1131383774 /nfs/dbraw/zinc/38/37/74/1131383774.db2.gz CAJHAUAZXILUNL-UHFFFAOYSA-N 0 1 284.290 3.546 20 0 CHADMN Fc1ccc2ccc(CNCc3cccs3)nc2c1F ZINC000647924515 1129587983 /nfs/dbraw/zinc/58/79/83/1129587983.db2.gz GKSFVALDDWPONX-UHFFFAOYSA-N 0 1 290.338 3.864 20 0 CHADMN CC(C)Cn1nccc1CN1CCC[C@H]1c1ccccc1 ZINC000648000373 1129590987 /nfs/dbraw/zinc/59/09/87/1129590987.db2.gz FXBHKSNGEKOKQO-SFHVURJKSA-N 0 1 283.419 3.876 20 0 CHADMN CSc1ccc(-c2ccc3nc(C)[nH]c3c2)cn1 ZINC001241634072 1129593826 /nfs/dbraw/zinc/59/38/26/1129593826.db2.gz LWEYWNFHPOTYEM-UHFFFAOYSA-N 0 1 255.346 3.655 20 0 CHADMN CC1(CC(F)F)CN(Cc2ccc(OCC3CC3)cc2)C1 ZINC000648058952 1129593893 /nfs/dbraw/zinc/59/38/93/1129593893.db2.gz MJBOYKGECZVQMC-UHFFFAOYSA-N 0 1 295.373 3.953 20 0 CHADMN Cc1ccc(CN(Cc2ccc(C)nc2)CC2CC2)o1 ZINC000648057700 1129594394 /nfs/dbraw/zinc/59/43/94/1129594394.db2.gz IYWBQFYMKTXBOE-UHFFFAOYSA-N 0 1 270.376 3.704 20 0 CHADMN CCCOc1cccc(CN2CC(C)(CC(F)F)C2)c1 ZINC000648058299 1129595072 /nfs/dbraw/zinc/59/50/72/1129595072.db2.gz CMOKCKSSXGTKDW-UHFFFAOYSA-N 0 1 283.362 3.953 20 0 CHADMN COc1ccccc1CN[C@@H]1CSCc2ccccc21 ZINC000037195571 1129596832 /nfs/dbraw/zinc/59/68/32/1129596832.db2.gz SIQPCUALRDUCFY-MRXNPFEDSA-N 0 1 285.412 3.773 20 0 CHADMN CCN(Cc1cc(Cl)sc1Cl)C[C@@H]1CCOC1 ZINC000648359275 1129604112 /nfs/dbraw/zinc/60/41/12/1129604112.db2.gz QOZZINBXURRUOB-VIFPVBQESA-N 0 1 294.247 3.913 20 0 CHADMN Cc1ccc(N(C)C)c(-c2ccc3nc[nH]c3c2)c1 ZINC001241703844 1129605301 /nfs/dbraw/zinc/60/53/01/1129605301.db2.gz YUQDOWDUHQWGEA-UHFFFAOYSA-N 0 1 251.333 3.604 20 0 CHADMN Cc1cscc1-c1nc(C(C)(C)C)nc2nc[nH]c21 ZINC001241726207 1129612002 /nfs/dbraw/zinc/61/20/02/1129612002.db2.gz KROAJIRKWLUPSL-UHFFFAOYSA-N 0 1 272.377 3.639 20 0 CHADMN C[C@H](NC[C@](C)(O)c1cccs1)c1c(F)cccc1F ZINC000305155688 1129630485 /nfs/dbraw/zinc/63/04/85/1129630485.db2.gz VQINHCHFDOLSOD-BONVTDFDSA-N 0 1 297.370 3.585 20 0 CHADMN C[C@@H](NC[C@@H](O)c1cc2ccccc2s1)c1ccco1 ZINC000305192078 1129630946 /nfs/dbraw/zinc/63/09/46/1129630946.db2.gz YKHCFGLEIBUAOF-DGCLKSJQSA-N 0 1 287.384 3.879 20 0 CHADMN C[C@@H]([C@H](C)NCc1nc(C2CC2)no1)C1CCCCC1 ZINC000185501668 1129633027 /nfs/dbraw/zinc/63/30/27/1129633027.db2.gz QAYYSLDROCAUCI-RYUDHWBXSA-N 0 1 277.412 3.642 20 0 CHADMN C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1sccc1Br ZINC000378727409 1129634453 /nfs/dbraw/zinc/63/44/53/1129634453.db2.gz JHFQKXCHOZZNKY-CHKWXVPMSA-N 0 1 296.180 3.815 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)c1ccccn1)[C@H]1CCCCO1 ZINC000379179357 1129636296 /nfs/dbraw/zinc/63/62/96/1129636296.db2.gz OMRFKDHGUDGGNE-IPELMVKDSA-N 0 1 296.414 3.718 20 0 CHADMN CCN(CC)c1ccc(N[C@@H](C)Cc2cc(C)no2)cc1 ZINC001212968119 1129636638 /nfs/dbraw/zinc/63/66/38/1129636638.db2.gz KYLBAVUGTNBQRQ-ZDUSSCGKSA-N 0 1 287.407 3.872 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCCC[C@@H]2C2CCC2)c1 ZINC000649197356 1129637049 /nfs/dbraw/zinc/63/70/49/1129637049.db2.gz KRGYCCDXIHSNFM-MRXNPFEDSA-N 0 1 297.402 3.666 20 0 CHADMN FC(F)(F)Oc1ccccc1-c1ccc2[nH]nnc2c1 ZINC001241941676 1129638670 /nfs/dbraw/zinc/63/86/70/1129638670.db2.gz IKLHMZLJMTWHSO-UHFFFAOYSA-N 0 1 279.221 3.524 20 0 CHADMN FC(F)(F)Oc1ccccc1-c1ccc2nn[nH]c2c1 ZINC001241941676 1129638672 /nfs/dbraw/zinc/63/86/72/1129638672.db2.gz IKLHMZLJMTWHSO-UHFFFAOYSA-N 0 1 279.221 3.524 20 0 CHADMN Cc1nc(-c2nc3cc(Cl)c(F)cc3[nH]2)cs1 ZINC000380045398 1129638741 /nfs/dbraw/zinc/63/87/41/1129638741.db2.gz TVZOMMMJMQUILE-UHFFFAOYSA-N 0 1 267.716 3.787 20 0 CHADMN CCC(CC)[C@@H](NC(=O)CCc1cnc[nH]1)c1ccccc1 ZINC000193376772 1129644887 /nfs/dbraw/zinc/64/48/87/1129644887.db2.gz NXZDMVKXHRNQTQ-GOSISDBHSA-N 0 1 299.418 3.636 20 0 CHADMN CCC(CC)[C@H](NC(=O)CCc1cnc[nH]1)c1ccccc1 ZINC000193376760 1129645027 /nfs/dbraw/zinc/64/50/27/1129645027.db2.gz NXZDMVKXHRNQTQ-SFHVURJKSA-N 0 1 299.418 3.636 20 0 CHADMN CO[C@@H](C)c1cccc(-c2nccc3[nH]ccc32)c1 ZINC001242016152 1129647371 /nfs/dbraw/zinc/64/73/71/1129647371.db2.gz WIOFLVFAJRDZHE-NSHDSACASA-N 0 1 252.317 3.937 20 0 CHADMN CCOc1ccc(-c2cc3[nH]cnc3cc2C)cc1 ZINC001239563372 1131388250 /nfs/dbraw/zinc/38/82/50/1131388250.db2.gz CWEOPZBUXCNHSC-UHFFFAOYSA-N 0 1 252.317 3.937 20 0 CHADMN c1c(CN2CCC(c3ccccc3)CC2)nn2c1CCCC2 ZINC000649477995 1129651827 /nfs/dbraw/zinc/65/18/27/1129651827.db2.gz OLFIQBUOWXAKMQ-UHFFFAOYSA-N 0 1 295.430 3.599 20 0 CHADMN CCn1ccc(CN(C)Cc2ccccc2OC2CC2)c1 ZINC000649479861 1129652003 /nfs/dbraw/zinc/65/20/03/1129652003.db2.gz ARVQNCFWFPFELV-UHFFFAOYSA-N 0 1 284.403 3.681 20 0 CHADMN CC(C)[C@H](NCc1cc2n(n1)CCCC2)c1ccccc1 ZINC000649479731 1129652079 /nfs/dbraw/zinc/65/20/79/1129652079.db2.gz IOQLUVABPUVAFV-SFHVURJKSA-N 0 1 283.419 3.706 20 0 CHADMN CCCN(Cc1cc2n(n1)CCC2)[C@@H]1CCc2ccccc21 ZINC000649500818 1129654048 /nfs/dbraw/zinc/65/40/48/1129654048.db2.gz UALFTOGEQAIBDW-LJQANCHMSA-N 0 1 295.430 3.729 20 0 CHADMN Cc1cc(NCc2cnc(C3CC3)o2)c2cc(F)ccc2n1 ZINC000649531147 1129656001 /nfs/dbraw/zinc/65/60/01/1129656001.db2.gz NLTIGLNQEGDJOX-UHFFFAOYSA-N 0 1 297.333 3.582 20 0 CHADMN CC(C)[C@@H](c1ccccc1)N(C)Cc1cc2n(n1)CCC2 ZINC000649529974 1129656095 /nfs/dbraw/zinc/65/60/95/1129656095.db2.gz FTAOPNPIKIYUIN-SFHVURJKSA-N 0 1 283.419 3.658 20 0 CHADMN CC[C@H](NCc1oc(C)nc1C)c1ccc(C)cc1 ZINC000389348857 1129656441 /nfs/dbraw/zinc/65/64/41/1129656441.db2.gz YKSUNXYTLIUDLN-HNNXBMFYSA-N 0 1 258.365 3.841 20 0 CHADMN C[C@H](NCc1cc2n(n1)CCC2)c1cc2ccccc2s1 ZINC000649584073 1129660877 /nfs/dbraw/zinc/66/08/77/1129660877.db2.gz JLVKTXLMDQPIPV-LBPRGKRZSA-N 0 1 297.427 3.895 20 0 CHADMN C[C@@H]1CC[C@H](c2ccccc2)N(Cc2cc3n(n2)CCC3)C1 ZINC000649610577 1129663243 /nfs/dbraw/zinc/66/32/43/1129663243.db2.gz VNIBTTZXCBCVMV-DNVCBOLYSA-N 0 1 295.430 3.803 20 0 CHADMN c1coc(CSCCNc2ccc3c(n2)CCC3)c1 ZINC001156190274 1129664454 /nfs/dbraw/zinc/66/44/54/1129664454.db2.gz AFSMQXXTLNKOIQ-UHFFFAOYSA-N 0 1 274.389 3.509 20 0 CHADMN COc1ncccc1CNC1(c2ccccc2C)CCC1 ZINC000649644474 1129665480 /nfs/dbraw/zinc/66/54/80/1129665480.db2.gz DFAKGNDINUJFPA-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN Cc1cccnc1CNC1(c2ccccc2C)CCC1 ZINC000649644659 1129665829 /nfs/dbraw/zinc/66/58/29/1129665829.db2.gz MRXOMMZANUQOOC-UHFFFAOYSA-N 0 1 266.388 3.867 20 0 CHADMN c1sc(-c2ccccn2)nc1CN1CCC12CCCC2 ZINC000649656351 1129666634 /nfs/dbraw/zinc/66/66/34/1129666634.db2.gz JPZXHZNPUPAVHH-UHFFFAOYSA-N 0 1 285.416 3.724 20 0 CHADMN Cc1cc2cc[nH]c2c(NCc2cc(C(C)C)no2)n1 ZINC001168817121 1129671507 /nfs/dbraw/zinc/67/15/07/1129671507.db2.gz FMXWBWHPUVZAOK-UHFFFAOYSA-N 0 1 270.336 3.595 20 0 CHADMN Cc1ccc(C(C)(C)Nc2ccnc3[nH]cnc32)cc1 ZINC001168807669 1129673603 /nfs/dbraw/zinc/67/36/03/1129673603.db2.gz OEAZBVWKPLZCPX-UHFFFAOYSA-N 0 1 266.348 3.614 20 0 CHADMN CC[C@H](N[C@H](C)C(=O)NC(C)(C)CC)c1ccccc1F ZINC000649738612 1129673696 /nfs/dbraw/zinc/67/36/96/1129673696.db2.gz OOEBNPCQIJOKJT-DOMZBBRYSA-N 0 1 294.414 3.560 20 0 CHADMN Cc1ncc(CN2CCCC[C@H]2Cc2ccccc2F)cn1 ZINC000649794369 1129677822 /nfs/dbraw/zinc/67/78/22/1129677822.db2.gz ICFXESZMUCBUHC-KRWDZBQOSA-N 0 1 299.393 3.521 20 0 CHADMN c1ccc(-c2nnc(CNC3(C4CCC4)CC3)s2)cc1 ZINC000649810606 1129679336 /nfs/dbraw/zinc/67/93/36/1129679336.db2.gz SCWKSCSUWFEUEM-UHFFFAOYSA-N 0 1 285.416 3.627 20 0 CHADMN C[C@@H](NC1(C2CCC2)CC1)c1ncc(C(C)(C)C)o1 ZINC000649808963 1129679391 /nfs/dbraw/zinc/67/93/91/1129679391.db2.gz XMZCHNCEEPCZCZ-LLVKDONJSA-N 0 1 262.397 3.955 20 0 CHADMN CC(C)c1noc([C@H](C)N2CCc3ccccc3[C@H](C)C2)n1 ZINC000649833112 1129680923 /nfs/dbraw/zinc/68/09/23/1129680923.db2.gz FLFFDCIJGFRBQG-KGLIPLIRSA-N 0 1 299.418 3.916 20 0 CHADMN C[C@@H]1CN(Cc2nnc(C3CC3)s2)CCc2ccccc21 ZINC000649835851 1129681370 /nfs/dbraw/zinc/68/13/70/1129681370.db2.gz SYRWPYXGLCDMFE-GFCCVEGCSA-N 0 1 299.443 3.577 20 0 CHADMN CCCCC[C@@H](C)NCc1csc([C@H](C)OC)n1 ZINC000766529433 1129683862 /nfs/dbraw/zinc/68/38/62/1129683862.db2.gz PRZCSTIDHATRNU-NEPJUHHUSA-N 0 1 270.442 3.909 20 0 CHADMN Cc1ccsc1CN1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001204019171 1129685746 /nfs/dbraw/zinc/68/57/46/1129685746.db2.gz OOQSSLPHIHRCCF-LBPRGKRZSA-N 0 1 297.420 3.583 20 0 CHADMN CCc1noc(CC)c1CN[C@H]1CCc2cc(C)ccc21 ZINC000766559312 1129687589 /nfs/dbraw/zinc/68/75/89/1129687589.db2.gz IYMGANZCRPFXEQ-KRWDZBQOSA-N 0 1 284.403 3.885 20 0 CHADMN Cc1cnc(CN)n1-c1cc(F)cc(F)c1-c1ccccc1 ZINC001169031084 1129690754 /nfs/dbraw/zinc/69/07/54/1129690754.db2.gz WOEVRLCTRXEOQC-UHFFFAOYSA-N 0 1 299.324 3.585 20 0 CHADMN CCc1coc(CN[C@H](Cc2ccccc2)CC(C)C)n1 ZINC001169049470 1129691874 /nfs/dbraw/zinc/69/18/74/1129691874.db2.gz ICLPDHPGCCEEKF-KRWDZBQOSA-N 0 1 286.419 3.984 20 0 CHADMN Cc1coc(CN[C@@H](Cc2ccccc2)CC(C)C)n1 ZINC001169051482 1129692595 /nfs/dbraw/zinc/69/25/95/1129692595.db2.gz WIYQVQZIZIMSQK-MRXNPFEDSA-N 0 1 272.392 3.730 20 0 CHADMN C[N@@H+](CC[C@H]1CC1(Cl)Cl)Cc1ccc(Cl)nc1 ZINC000822669326 1131392744 /nfs/dbraw/zinc/39/27/44/1131392744.db2.gz VOHLKXMUITVOQE-JTQLQIEISA-N 0 1 293.625 3.751 20 0 CHADMN CN(C)/C=C/c1ccncc1N[C@@H](C1CCC1)C(F)(F)F ZINC001169286828 1129715809 /nfs/dbraw/zinc/71/58/09/1129715809.db2.gz BGYVCWHQFZVIJT-KGXGESDWSA-N 0 1 299.340 3.757 20 0 CHADMN CC1(C)CCCN(Cc2cc(O)ccc2Cl)C1 ZINC001169299997 1129717430 /nfs/dbraw/zinc/71/74/30/1129717430.db2.gz IHEXUBNBBZKPIJ-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN Cc1cc(N[C@@H]2C[C@@H](C)c3ccccc32)nc2[nH]cnc21 ZINC001169367054 1129720626 /nfs/dbraw/zinc/72/06/26/1129720626.db2.gz RITKTTCYLSGLOY-QMTHXVAHSA-N 0 1 278.359 3.927 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@H](CC(C)C)c1ccccc1 ZINC000650806306 1129723102 /nfs/dbraw/zinc/72/31/02/1129723102.db2.gz WJNGPKNXHDOPLC-JKSUJKDBSA-N 0 1 277.408 3.611 20 0 CHADMN C[C@H]1C[C@H](Nc2ccnc3[nH]cnc32)c2ccccc21 ZINC001169379900 1129723182 /nfs/dbraw/zinc/72/31/82/1129723182.db2.gz OMDOYKMIIAFDPA-HZMBPMFUSA-N 0 1 264.332 3.618 20 0 CHADMN CC[C@@H]1CCN(Cc2csc(C3CC3)n2)[C@H]1C ZINC001169494142 1129730743 /nfs/dbraw/zinc/73/07/43/1129730743.db2.gz DMVYJHALNBIUIJ-WDEREUQCSA-N 0 1 250.411 3.641 20 0 CHADMN CC1(C[NH2+]Cc2cccc([O-])c2Cl)CC(F)(F)C1 ZINC000720976149 1129732097 /nfs/dbraw/zinc/73/20/97/1129732097.db2.gz DMOOIKRDIZJCFY-UHFFFAOYSA-N 0 1 275.726 3.571 20 0 CHADMN Cc1ccc(C)c(NC[C@@H](C)c2ccc(O)cc2)n1 ZINC001169533191 1129732871 /nfs/dbraw/zinc/73/28/71/1129732871.db2.gz LRJGOWFKPAIPKN-GFCCVEGCSA-N 0 1 256.349 3.620 20 0 CHADMN C[C@H](N[C@H](CC1CC1)c1ccccc1)c1ccncn1 ZINC000651298214 1129736491 /nfs/dbraw/zinc/73/64/91/1129736491.db2.gz LWWJFQNDZLZIDM-SUMWQHHRSA-N 0 1 267.376 3.669 20 0 CHADMN CN(C)Cc1cccc(-c2c(F)cccc2F)c1F ZINC001239575402 1131394390 /nfs/dbraw/zinc/39/43/90/1131394390.db2.gz AJNJUWYKTOMAOL-UHFFFAOYSA-N 0 1 265.278 3.833 20 0 CHADMN Cn1cccc1[C@H]1CCCCN1Cc1cc2cnccc2o1 ZINC000651649738 1129742597 /nfs/dbraw/zinc/74/25/97/1129742597.db2.gz SNYWBDJLZUHHNO-QGZVFWFLSA-N 0 1 295.386 3.894 20 0 CHADMN COc1ccc2c(c1)OCCN(Cc1cc(C)cc(C)c1)C2 ZINC001169703880 1129749702 /nfs/dbraw/zinc/74/97/02/1129749702.db2.gz DJLJAGNBCNLIPE-UHFFFAOYSA-N 0 1 297.398 3.707 20 0 CHADMN CC[C@]1(C)CCC[C@@H]1NCc1noc(-c2cccs2)n1 ZINC000651822974 1129750313 /nfs/dbraw/zinc/75/03/13/1129750313.db2.gz QVRSIBXGHXNLNQ-SWLSCSKDSA-N 0 1 291.420 3.857 20 0 CHADMN C[C@H](O)[C@@H](NCc1ccccc1C1CC1)c1ccccc1F ZINC000651892660 1129751622 /nfs/dbraw/zinc/75/16/22/1129751622.db2.gz FZUJXGQFOQUCRO-ORAYPTAESA-N 0 1 299.389 3.915 20 0 CHADMN C[C@H](COCC1CC1)NCc1csc(Cl)c1Cl ZINC000651984226 1129753931 /nfs/dbraw/zinc/75/39/31/1129753931.db2.gz XDDBVRWLHRLREY-MRVPVSSYSA-N 0 1 294.247 3.960 20 0 CHADMN C[C@H]1CN(Cc2coc3ccccc23)C2(CCC2)CO1 ZINC000651974824 1129753803 /nfs/dbraw/zinc/75/38/03/1129753803.db2.gz RAIYSGBZGZKRRH-ZDUSSCGKSA-N 0 1 271.360 3.576 20 0 CHADMN Cc1ccc2cc(CN3C[C@@H](C)OCC34CCC4)ccc2n1 ZINC000651974330 1129754744 /nfs/dbraw/zinc/75/47/44/1129754744.db2.gz AOYNMYCGRXHWID-OAHLLOKOSA-N 0 1 296.414 3.687 20 0 CHADMN CCOc1ccccc1OCCNc1nccc(C)c1C ZINC001169788977 1129756648 /nfs/dbraw/zinc/75/66/48/1129756648.db2.gz ZLUPFCYFQWTHAE-UHFFFAOYSA-N 0 1 286.375 3.588 20 0 CHADMN Fc1ccc(/C=C/C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000652063062 1129757203 /nfs/dbraw/zinc/75/72/03/1129757203.db2.gz CKWIMUGSUVYITN-YUKKFKLSSA-N 0 1 267.294 3.570 20 0 CHADMN Cc1nnsc1CN[C@H](CC(C)C)c1ccc(F)cc1 ZINC000652202022 1129758804 /nfs/dbraw/zinc/75/88/04/1129758804.db2.gz YGCGFUZTFDUWEI-CQSZACIVSA-N 0 1 293.411 3.863 20 0 CHADMN CN(C)/C=C/c1ccncc1N[C@@H]1C[C@H]1c1ccccc1 ZINC001169815687 1129759028 /nfs/dbraw/zinc/75/90/28/1129759028.db2.gz BPYQSDDTVDKOPV-DMFQBTPQSA-N 0 1 279.387 3.582 20 0 CHADMN CCn1ccnc1[C@H](C)NCc1cccc2ccsc21 ZINC000652220174 1129760561 /nfs/dbraw/zinc/76/05/61/1129760561.db2.gz WNYPPWWPULGCBS-LBPRGKRZSA-N 0 1 285.416 3.969 20 0 CHADMN C[C@@H](N[C@@H]1CC(C)(C)Oc2ccc(F)cc21)c1cn[nH]c1 ZINC000652267278 1129761857 /nfs/dbraw/zinc/76/18/57/1129761857.db2.gz QIUDPBZKKBHPMW-QMTHXVAHSA-N 0 1 289.354 3.502 20 0 CHADMN C[C@H](N[C@@H](CO)CCF)c1cc(F)c(Cl)cc1Cl ZINC000652305929 1129762828 /nfs/dbraw/zinc/76/28/28/1129762828.db2.gz LUKGHCUUYXXKOS-JGVFFNPUSA-N 0 1 298.160 3.504 20 0 CHADMN CCCN(CCCc1cccc(C)c1)[C@H](C)C(=O)OCC ZINC001169933589 1129765483 /nfs/dbraw/zinc/76/54/83/1129765483.db2.gz RANDLOPVNYNSCG-MRXNPFEDSA-N 0 1 291.435 3.591 20 0 CHADMN CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CCCCCC(=O)[O-])C1 ZINC000652451520 1129765954 /nfs/dbraw/zinc/76/59/54/1129765954.db2.gz ZTAIODNJNSBBBE-HUUCEWRRSA-N 0 1 281.440 3.780 20 0 CHADMN CCC1(CC)CN(Cc2ccnc(Cl)c2)CCS1 ZINC000766990199 1129771455 /nfs/dbraw/zinc/77/14/55/1129771455.db2.gz HIQZRFIJMVQNLP-UHFFFAOYSA-N 0 1 284.856 3.843 20 0 CHADMN CCC1(CC)CN(Cc2cccc(Cl)n2)CCS1 ZINC000766991071 1129771645 /nfs/dbraw/zinc/77/16/45/1129771645.db2.gz UCXGVIKYTZOYNB-UHFFFAOYSA-N 0 1 284.856 3.843 20 0 CHADMN FC1(F)CCN(CCc2ccccc2Cl)CC1 ZINC000796540425 1129777462 /nfs/dbraw/zinc/77/74/62/1129777462.db2.gz AATBHXVYNSYRFW-UHFFFAOYSA-N 0 1 259.727 3.614 20 0 CHADMN CC1(C)C[C@@H](Nc2ccc3cnccc3c2)CCO1 ZINC000653466078 1129780421 /nfs/dbraw/zinc/78/04/21/1129780421.db2.gz XSHTWUNJFMBMBT-HNNXBMFYSA-N 0 1 256.349 3.604 20 0 CHADMN Cc1cccc(CN2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c1F ZINC001137673593 1131397546 /nfs/dbraw/zinc/39/75/46/1131397546.db2.gz JYPYCXMTYKOUKD-IRXDYDNUSA-N 0 1 295.357 3.546 20 0 CHADMN Cc1cccc(CN2CC[C@@H](F)C(F)(F)CC2)c1F ZINC001137672740 1131397563 /nfs/dbraw/zinc/39/75/63/1131397563.db2.gz WVTKLWVTUYWRCS-GFCCVEGCSA-N 0 1 275.289 3.703 20 0 CHADMN CN(CCC(=O)C1CC1)Cc1ccccc1C(F)(F)F ZINC000767362679 1129788921 /nfs/dbraw/zinc/78/89/21/1129788921.db2.gz ODHRRVAQBRANGB-UHFFFAOYSA-N 0 1 285.309 3.506 20 0 CHADMN COc1ccc2c(c1)CN(CCCCOc1ccccc1)C2 ZINC000653834230 1129797175 /nfs/dbraw/zinc/79/71/75/1129797175.db2.gz NZOGHQRQPZROTA-UHFFFAOYSA-N 0 1 297.398 3.870 20 0 CHADMN CCc1nnc(CN2CCC[C@H]2CC2CCCC2)s1 ZINC000653892249 1129800241 /nfs/dbraw/zinc/80/02/41/1129800241.db2.gz DSQHMLUBNCUJKR-ZDUSSCGKSA-N 0 1 279.453 3.645 20 0 CHADMN CC1(C)CC(N[C@@H]2CCCCC2(F)F)CC(C)(C)N1O ZINC001169976550 1129816843 /nfs/dbraw/zinc/81/68/43/1129816843.db2.gz HWQLOTZLQRHXBY-GFCCVEGCSA-N 0 1 290.398 3.565 20 0 CHADMN Fc1ccc2c(c1F)CN(CCc1cccs1)CC2 ZINC000767904483 1129820362 /nfs/dbraw/zinc/82/03/62/1129820362.db2.gz FJBPLCNNRKODRZ-UHFFFAOYSA-N 0 1 279.355 3.627 20 0 CHADMN CCC(C)(CC)C(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000768003579 1129824953 /nfs/dbraw/zinc/82/49/53/1129824953.db2.gz PRQLKBDYBZWGJG-CQSZACIVSA-N 0 1 293.407 3.614 20 0 CHADMN CN(Cc1occc1Br)C1CCCCC1 ZINC000768140165 1129835828 /nfs/dbraw/zinc/83/58/28/1129835828.db2.gz VZIQRPIGWOPYTG-UHFFFAOYSA-N 0 1 272.186 3.807 20 0 CHADMN CN(Cc1c(Cl)nc2ccccn21)C1CCCCC1 ZINC000768139489 1129836232 /nfs/dbraw/zinc/83/62/32/1129836232.db2.gz QDSQUKABYOFZCY-UHFFFAOYSA-N 0 1 277.799 3.752 20 0 CHADMN Cc1cc(CN[C@H](C)c2cncs2)c(C)s1 ZINC000381248772 1129836316 /nfs/dbraw/zinc/83/63/16/1129836316.db2.gz OTUDKEOFDMHYOO-SECBINFHSA-N 0 1 252.408 3.672 20 0 CHADMN COc1cccc2cc(CN(C)Cc3ccco3)oc21 ZINC000768184814 1129840031 /nfs/dbraw/zinc/84/00/31/1129840031.db2.gz JLNFUDAEHJWDIA-UHFFFAOYSA-N 0 1 271.316 3.666 20 0 CHADMN Cc1ncsc1CN1Cc2ccccc2[C@@H](C)C1 ZINC000768194545 1129841961 /nfs/dbraw/zinc/84/19/61/1129841961.db2.gz AMVBFGHZPWNKGE-NSHDSACASA-N 0 1 258.390 3.571 20 0 CHADMN COc1ccsc1CN1Cc2ccccc2[C@@H](C)C1 ZINC000768194845 1129842892 /nfs/dbraw/zinc/84/28/92/1129842892.db2.gz GPAHMTUZXWGWHZ-LBPRGKRZSA-N 0 1 273.401 3.876 20 0 CHADMN C[C@H]1CN(Cc2n[nH]c3ccccc32)Cc2ccccc21 ZINC000768195020 1129843202 /nfs/dbraw/zinc/84/32/02/1129843202.db2.gz IVJQWLUHCXHPMA-ZDUSSCGKSA-N 0 1 277.371 3.682 20 0 CHADMN CCCCC[C@H](NC(=O)NCc1cn[nH]c1C)C(C)(C)C ZINC000768225486 1129844111 /nfs/dbraw/zinc/84/41/11/1129844111.db2.gz GBQZYDMPVNENEG-AWEZNQCLSA-N 0 1 294.443 3.512 20 0 CHADMN Cc1cc(Cl)nc(CN[C@@H]2CCc3ccc(F)cc32)c1 ZINC000283537825 1129847783 /nfs/dbraw/zinc/84/77/83/1129847783.db2.gz OETSCICMFVPHNP-OAHLLOKOSA-N 0 1 290.769 3.960 20 0 CHADMN CCC1CCC(N(C)Cc2coc(C3CC3)n2)CC1 ZINC000768262379 1129849020 /nfs/dbraw/zinc/84/90/20/1129849020.db2.gz JROXYIWPBFHRPD-UHFFFAOYSA-N 0 1 262.397 3.953 20 0 CHADMN CCc1nn(C)c(Cl)c1CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000768261307 1129849032 /nfs/dbraw/zinc/84/90/32/1129849032.db2.gz AVNJSFYSQQBSJD-NWDGAFQWSA-N 0 1 283.847 3.646 20 0 CHADMN C[C@@H](CCc1ccco1)NCc1nc(C(C)(C)C)co1 ZINC000724405127 1129852334 /nfs/dbraw/zinc/85/23/34/1129852334.db2.gz VFAWJYBTWYUUBI-LBPRGKRZSA-N 0 1 276.380 3.676 20 0 CHADMN CC(C)CC1(NCc2nc(C(C)(C)C)co2)CC1 ZINC000724382112 1129852446 /nfs/dbraw/zinc/85/24/46/1129852446.db2.gz QVTLNWFSYYNUMQ-UHFFFAOYSA-N 0 1 250.386 3.640 20 0 CHADMN CC(C)(C)c1coc(CN[C@H]2CCCC2(C)C)n1 ZINC000724430892 1129852791 /nfs/dbraw/zinc/85/27/91/1129852791.db2.gz YKCLVVGLGBEGFF-NSHDSACASA-N 0 1 250.386 3.640 20 0 CHADMN COc1cc(CN(C)Cc2cc(C)oc2C)cc(OC)c1 ZINC000768537137 1129861519 /nfs/dbraw/zinc/86/15/19/1129861519.db2.gz NTBYNFGWCBLKNO-UHFFFAOYSA-N 0 1 289.375 3.546 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1ccc(F)nc1 ZINC000800285790 1129864431 /nfs/dbraw/zinc/86/44/31/1129864431.db2.gz BMIKSRZTGGWKFV-LLVKDONJSA-N 0 1 276.380 3.793 20 0 CHADMN Cc1cnc([C@@H](C)NC[C@@]2(C)CC2(Cl)Cl)s1 ZINC000828852831 1131402981 /nfs/dbraw/zinc/40/29/81/1131402981.db2.gz SSWJKKLKKCSCRX-PSASIEDQSA-N 0 1 279.236 3.686 20 0 CHADMN FC(F)C1CC(NCc2coc(-c3cccs3)n2)C1 ZINC000768684659 1129870756 /nfs/dbraw/zinc/87/07/56/1129870756.db2.gz AYHGLMYXJSCSJS-UHFFFAOYSA-N 0 1 284.331 3.536 20 0 CHADMN CSc1ccccc1[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C ZINC000800440057 1129874512 /nfs/dbraw/zinc/87/45/12/1129874512.db2.gz RYWZQMNWPSHHSN-IUODEOHRSA-N 0 1 295.448 3.599 20 0 CHADMN CCc1cccc(C)c1NC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000900306495 1129877188 /nfs/dbraw/zinc/87/71/88/1129877188.db2.gz YRCPRBXXJBWQQS-BZNIZROVSA-N 0 1 297.402 3.585 20 0 CHADMN COCC[C@H]1CCC[C@H]1Nc1ccc(CN(C)C)c(F)c1 ZINC000800488768 1129879656 /nfs/dbraw/zinc/87/96/56/1129879656.db2.gz OOQJTJGDQUZSPW-CXAGYDPISA-N 0 1 294.414 3.504 20 0 CHADMN Cc1ccccc1[C@@]1(F)CCN(C[C@H]2CCC=CO2)C1 ZINC000800536958 1129882999 /nfs/dbraw/zinc/88/29/99/1129882999.db2.gz VOANNJGIUNLHPK-NVXWUHKLSA-N 0 1 275.367 3.558 20 0 CHADMN CC1CCC(N(C(=O)c2cc(C(F)F)[nH]n2)C2CC2)CC1 ZINC000900407404 1129883242 /nfs/dbraw/zinc/88/32/42/1129883242.db2.gz RFYRHHYZVQVROG-UHFFFAOYSA-N 0 1 297.349 3.531 20 0 CHADMN CCC/C=C\C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000769030061 1129886266 /nfs/dbraw/zinc/88/62/66/1129886266.db2.gz OSSXGTMQVBNFEC-POHAHGRESA-N 0 1 286.419 3.953 20 0 CHADMN CCN(CCc1ccccn1)Cc1cc(Cl)ccc1F ZINC000769036394 1129887564 /nfs/dbraw/zinc/88/75/64/1129887564.db2.gz LJVRWMMUHLRNAD-UHFFFAOYSA-N 0 1 292.785 3.939 20 0 CHADMN CCCCN(C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21)[C@H](C)CC ZINC000900631585 1129888685 /nfs/dbraw/zinc/88/86/85/1129888685.db2.gz OTHAECODAXMCDP-GZBFAFLISA-N 0 1 291.439 3.503 20 0 CHADMN C[C@H](CCc1ccc(C(F)(F)F)cc1)NCc1ccon1 ZINC000800973245 1129901208 /nfs/dbraw/zinc/90/12/08/1129901208.db2.gz XHAHKKIGCBRXEU-LLVKDONJSA-N 0 1 298.308 3.804 20 0 CHADMN Cc1cccc(C)c1-c1nc[nH]c2nc(=S)sc1-2 ZINC001239596246 1131406387 /nfs/dbraw/zinc/40/63/87/1131406387.db2.gz QWAZIMUKNNVSQR-UHFFFAOYSA-N 0 1 273.386 3.659 20 0 CHADMN Clc1ccc2[nH]cc(C[N@H+]3CCC[C@]34CCOC4)c2c1 ZINC001137713844 1131406889 /nfs/dbraw/zinc/40/68/89/1131406889.db2.gz AMJPJYCJYDXNHC-MRXNPFEDSA-N 0 1 290.794 3.576 20 0 CHADMN Cn1c(Cl)nc(Cl)c1CN1C2CCCC1CCC2 ZINC000769498494 1129914183 /nfs/dbraw/zinc/91/41/83/1129914183.db2.gz JAKWDWDZMFVBTR-UHFFFAOYSA-N 0 1 288.222 3.634 20 0 CHADMN CC[C@]1(C)CCN(Cc2c(Cl)nc3ccccn32)C1 ZINC000769519278 1129915843 /nfs/dbraw/zinc/91/58/43/1129915843.db2.gz OXRDBORAEORNOP-OAHLLOKOSA-N 0 1 277.799 3.610 20 0 CHADMN CCS[C@@H]1CC[C@@H](N(C)Cc2coc(C3CC3)n2)C1 ZINC000769547991 1129917287 /nfs/dbraw/zinc/91/72/87/1129917287.db2.gz FTXHXYZHRLVOTK-ZIAGYGMSSA-N 0 1 280.437 3.658 20 0 CHADMN Cc1ccc(NC(=O)c2c(O)cccc2Cl)c(F)c1 ZINC000769630321 1129918700 /nfs/dbraw/zinc/91/87/00/1129918700.db2.gz HUGBFGUKAUYMEZ-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN CC(C)(C)[C@@H](N)c1cc(-c2cc3ccccc3[nH]c2=O)no1 ZINC000901404234 1129921621 /nfs/dbraw/zinc/92/16/21/1129921621.db2.gz HLAAFPKSORGVJO-HNNXBMFYSA-N 0 1 297.358 3.641 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccc(/C=C\C(=O)[O-])o1)c1ccccc1 ZINC000901429894 1129924214 /nfs/dbraw/zinc/92/42/14/1129924214.db2.gz FIRWJBVAUIQIJX-BMSUMIBZSA-N 0 1 299.370 3.613 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1sccc1C ZINC000769871675 1129930147 /nfs/dbraw/zinc/93/01/47/1129930147.db2.gz CFCJHYGVVDIVCS-JTQLQIEISA-N 0 1 264.394 3.766 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1cccc2cccnc21 ZINC000769874981 1129930314 /nfs/dbraw/zinc/93/03/14/1129930314.db2.gz RMAAOSSEFPRYNZ-GFCCVEGCSA-N 0 1 295.386 3.944 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1ccccc1COC ZINC000769871347 1129930326 /nfs/dbraw/zinc/93/03/26/1129930326.db2.gz YMZZZRNOKPQPOV-GFCCVEGCSA-N 0 1 288.391 3.543 20 0 CHADMN CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)CC)C1CC1 ZINC000828990487 1131408702 /nfs/dbraw/zinc/40/87/02/1131408702.db2.gz HAQKUUUEYMTNOZ-UHFFFAOYSA-N 0 1 296.361 3.611 20 0 CHADMN CCN(CC(=O)Nc1ccccc1C(F)(F)CC)C1CC1 ZINC000828990487 1131408703 /nfs/dbraw/zinc/40/87/03/1131408703.db2.gz HAQKUUUEYMTNOZ-UHFFFAOYSA-N 0 1 296.361 3.611 20 0 CHADMN CCCC1CCC(C[N@H+]2C[C@H]3CCC[C@]3(C(=O)[O-])C2)CC1 ZINC000901515340 1129933511 /nfs/dbraw/zinc/93/35/11/1129933511.db2.gz AWAACBVHKZODCK-IOTAOYMUSA-N 0 1 293.451 3.780 20 0 CHADMN CC(C)(C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000901552395 1129936084 /nfs/dbraw/zinc/93/60/84/1129936084.db2.gz OMHGZMBTLKDHBX-HNNXBMFYSA-N 0 1 289.419 3.541 20 0 CHADMN CC1(C)CCC[C@H](C[N@@H+](CC(=O)[O-])Cc2ccccc2)C1 ZINC000901570521 1129937628 /nfs/dbraw/zinc/93/76/28/1129937628.db2.gz ZDTZLBMTIUGKBX-INIZCTEOSA-N 0 1 289.419 3.790 20 0 CHADMN Cc1ccc([C@@H](C)C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000901589865 1129938072 /nfs/dbraw/zinc/93/80/72/1129938072.db2.gz BQPCKWPAJCGFEL-HNNXBMFYSA-N 0 1 297.398 3.929 20 0 CHADMN CC1=C[C@@H](C)C[C@H](C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000901592491 1129938145 /nfs/dbraw/zinc/93/81/45/1129938145.db2.gz PNFFKASYGWMDQO-CJNGLKHVSA-N 0 1 287.403 3.809 20 0 CHADMN C[C@@H](C[N@@H+](CCC(=O)[O-])CC1CC1)c1cccc(Cl)c1 ZINC000901614973 1129939597 /nfs/dbraw/zinc/93/95/97/1129939597.db2.gz RAVGITWSGVJHOF-LBPRGKRZSA-N 0 1 295.810 3.630 20 0 CHADMN CC1=C[C@H](C)C[C@H](C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC000901629118 1129939753 /nfs/dbraw/zinc/93/97/53/1129939753.db2.gz WGGWFNTYAZERAV-DHSIGJKJSA-N 0 1 299.414 3.663 20 0 CHADMN C/C(=C\C(=O)Nc1ccc2c(C)[nH]nc2c1)C(C)(C)C ZINC000770259943 1129942973 /nfs/dbraw/zinc/94/29/73/1129942973.db2.gz XDJIFCPPEDOLDZ-CSKARUKUSA-N 0 1 271.364 3.802 20 0 CHADMN CCCCC[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000901721361 1129946067 /nfs/dbraw/zinc/94/60/67/1129946067.db2.gz FXXZOSQERKQCBZ-NSHDSACASA-N 0 1 298.452 3.564 20 0 CHADMN Cc1cc(CN(C)CCF)cc(C)c1OCC(F)(F)F ZINC000746503965 1129946415 /nfs/dbraw/zinc/94/64/15/1129946415.db2.gz RNCMYTYCSKGJBQ-UHFFFAOYSA-N 0 1 293.304 3.646 20 0 CHADMN CC(C)n1ccn(CN(C)CC2CCCC2)c1=S ZINC000746504918 1129946540 /nfs/dbraw/zinc/94/65/40/1129946540.db2.gz QRTJCUHIODKFNE-UHFFFAOYSA-N 0 1 267.442 3.679 20 0 CHADMN c1nc2ccc(CNc3ccc4c(c3)CCCO4)cc2[nH]1 ZINC000770557012 1129950237 /nfs/dbraw/zinc/95/02/37/1129950237.db2.gz DHGQVLQQLNTIBC-UHFFFAOYSA-N 0 1 279.343 3.500 20 0 CHADMN C[C@H]1CN(CCSC(C)(C)C)C[C@H](c2ccccc2)O1 ZINC000801916559 1129958459 /nfs/dbraw/zinc/95/84/59/1129958459.db2.gz XQCMAVVHSJGBSU-GOEBONIOSA-N 0 1 293.476 3.980 20 0 CHADMN Cc1ccc(C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-])cc1 ZINC000901840915 1129959212 /nfs/dbraw/zinc/95/92/12/1129959212.db2.gz QXRNOWFHUXUINR-UHFFFAOYSA-N 0 1 277.408 3.564 20 0 CHADMN CC[C@](C)(NCCSC(C)(C)C)c1nccs1 ZINC000801933447 1129961164 /nfs/dbraw/zinc/96/11/64/1129961164.db2.gz SEIXIWLCCGLOEQ-ZDUSSCGKSA-N 0 1 272.483 3.890 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000901888672 1129964472 /nfs/dbraw/zinc/96/44/72/1129964472.db2.gz PMRHUVPDCAHORX-LZWOXQAQSA-N 0 1 281.440 3.636 20 0 CHADMN CC1(C)CCC[C@H](C[N@H+]2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)C1 ZINC000901914720 1129965121 /nfs/dbraw/zinc/96/51/21/1129965121.db2.gz SYYSSYLKQRZFFO-MPGHIAIKSA-N 0 1 293.451 3.780 20 0 CHADMN CC1=CCC[C@@H](C)[C@H]1C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000901916767 1129966235 /nfs/dbraw/zinc/96/62/35/1129966235.db2.gz DZEUALRZGPNCRD-CVYDXHPNSA-N 0 1 291.435 3.556 20 0 CHADMN Cc1cc(C)c(/C=C/C[N@H+]2CCCC[C@H]2C(=O)[O-])cc1C ZINC000901967861 1129968242 /nfs/dbraw/zinc/96/82/42/1129968242.db2.gz KYHWQQQCNSXFNG-LXXRFIIISA-N 0 1 287.403 3.564 20 0 CHADMN Cc1cc2cc(C[N@H+](CCC(=O)[O-])C(C)C)oc2cc1C ZINC000901980232 1129969363 /nfs/dbraw/zinc/96/93/63/1129969363.db2.gz JWWIXLKCLFFBSK-UHFFFAOYSA-N 0 1 289.375 3.735 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000901986981 1129969887 /nfs/dbraw/zinc/96/98/87/1129969887.db2.gz BZAQDGCCNDMSTI-JCGIZDLHSA-N 0 1 299.414 3.663 20 0 CHADMN CC1=C[C@H](C)C[C@@H](C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])C1 ZINC000901990790 1129969923 /nfs/dbraw/zinc/96/99/23/1129969923.db2.gz SEMLUKXITDIRBN-JOQOYGCGSA-N 0 1 299.414 3.663 20 0 CHADMN C[C@H](C[N@@H+](Cc1ccc(-c2ccccc2)o1)C1CC1)C(=O)[O-] ZINC000901992901 1129969928 /nfs/dbraw/zinc/96/99/28/1129969928.db2.gz FWUBMAWQXQUKRR-CYBMUJFWSA-N 0 1 299.370 3.632 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1ccc2occc2c1 ZINC000901998625 1129970448 /nfs/dbraw/zinc/97/04/48/1129970448.db2.gz VMJUGFDZMYHTBP-OAHLLOKOSA-N 0 1 287.359 3.652 20 0 CHADMN CC1(C)CCC[C@@H](C[N@H+]2CCCC[C@H]2CCC(=O)[O-])C1 ZINC000901998709 1129970552 /nfs/dbraw/zinc/97/05/52/1129970552.db2.gz XIJZRPOHPCTNNZ-CABCVRRESA-N 0 1 281.440 3.922 20 0 CHADMN C[C@@H](C[N@H+](C[C@H](C)C(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000901995130 1129970747 /nfs/dbraw/zinc/97/07/47/1129970747.db2.gz XRKCNVSHPDNARM-RYUDHWBXSA-N 0 1 295.810 3.629 20 0 CHADMN CC(C)C[C@H](C[N@H+]1CCC[C@@H]1CC(=O)[O-])c1ccccc1 ZINC000902006818 1129971256 /nfs/dbraw/zinc/97/12/56/1129971256.db2.gz HIMHSICSRARLAO-IAGOWNOFSA-N 0 1 289.419 3.755 20 0 CHADMN Cc1cc(C)c(/C=C\C[N@H+]2CCC[C@@H]2CC(=O)[O-])cc1C ZINC000902005716 1129971376 /nfs/dbraw/zinc/97/13/76/1129971376.db2.gz ACRFVZWHUZSQQV-XQDHMALISA-N 0 1 287.403 3.564 20 0 CHADMN Cc1cc(C)c(/C=C/C[N@H+]2CCC[C@@H]2CC(=O)[O-])cc1C ZINC000902005714 1129971445 /nfs/dbraw/zinc/97/14/45/1129971445.db2.gz ACRFVZWHUZSQQV-UKINESCASA-N 0 1 287.403 3.564 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000902018797 1129971829 /nfs/dbraw/zinc/97/18/29/1129971829.db2.gz CJFZKFDUXDFKLL-AWEZNQCLSA-N 0 1 293.338 3.503 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])cc1Cl ZINC000902020314 1129972071 /nfs/dbraw/zinc/97/20/71/1129972071.db2.gz YEAOYSDVIQARAU-AWEZNQCLSA-N 0 1 283.799 3.580 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)CCc1ccccc1 ZINC000902019587 1129972247 /nfs/dbraw/zinc/97/22/47/1129972247.db2.gz ICEHGYKLCUFBBA-RDJZCZTQSA-N 0 1 291.435 3.686 20 0 CHADMN CCn1cnc(CN[C@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000902036277 1129973311 /nfs/dbraw/zinc/97/33/11/1129973311.db2.gz HFWKVPMRKOQKPB-CQSZACIVSA-N 0 1 283.419 3.633 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H](C)c1ccc(Cl)nc1 ZINC000771390186 1129979217 /nfs/dbraw/zinc/97/92/17/1129979217.db2.gz WPRADSNQAACKCM-RYUDHWBXSA-N 0 1 275.783 3.850 20 0 CHADMN CCN(C)c1ccccc1CN[C@H](C)c1ccc(F)cn1 ZINC000771396399 1129979253 /nfs/dbraw/zinc/97/92/53/1129979253.db2.gz PKPBZOPZVBOLKU-CYBMUJFWSA-N 0 1 287.382 3.528 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@H](F)c1ccccc1 ZINC000771502388 1129982774 /nfs/dbraw/zinc/98/27/74/1129982774.db2.gz AMHDHRLCGAHVEW-GFCCVEGCSA-N 0 1 297.688 3.834 20 0 CHADMN CNc1ccccc1CN[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000902127928 1129982849 /nfs/dbraw/zinc/98/28/49/1129982849.db2.gz ZPUQWQSTYBPDBL-OALUTQOASA-N 0 1 296.414 3.738 20 0 CHADMN CCC[C@@H](NCc1ccccc1NC)c1ccccn1 ZINC000902194875 1129987092 /nfs/dbraw/zinc/98/70/92/1129987092.db2.gz KANQXBFLDRXBEK-MRXNPFEDSA-N 0 1 269.392 3.754 20 0 CHADMN CNc1ccc(C)cc1CN[C@@H](C)c1cccc(O)c1 ZINC000902199859 1129987743 /nfs/dbraw/zinc/98/77/43/1129987743.db2.gz YXQUJBHKOITEAL-ZDUSSCGKSA-N 0 1 270.376 3.593 20 0 CHADMN Cc1cc([C@@](C)(O)CNCc2cscc2Cl)c(C)o1 ZINC000771959271 1129998694 /nfs/dbraw/zinc/99/86/94/1129998694.db2.gz NWEXROATCOGXJF-AWEZNQCLSA-N 0 1 299.823 3.609 20 0 CHADMN Cc1cn[nH]c1CSCc1cccc(OC(F)F)c1 ZINC000902310692 1129999120 /nfs/dbraw/zinc/99/91/20/1129999120.db2.gz BQXGSWYYBXWCQV-UHFFFAOYSA-N 0 1 284.331 3.753 20 0 CHADMN CCOc1cc(C)ccc1CNCc1ccccc1NC ZINC000902311003 1129999281 /nfs/dbraw/zinc/99/92/81/1129999281.db2.gz HZFFGVPKHUOTTN-UHFFFAOYSA-N 0 1 284.403 3.725 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000902308247 1129999487 /nfs/dbraw/zinc/99/94/87/1129999487.db2.gz WFBZBGJZADHDRO-CMDGGOBGSA-N 0 1 291.391 3.780 20 0 CHADMN CCNc1ccccc1CNc1ccc2c(c1)CN(C)C2 ZINC000902361147 1130003139 /nfs/dbraw/zinc/00/31/39/1130003139.db2.gz NTEASPNLSVWJNS-UHFFFAOYSA-N 0 1 281.403 3.676 20 0 CHADMN CC[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000902401034 1130006953 /nfs/dbraw/zinc/00/69/53/1130006953.db2.gz CNARFEJRQLQKSY-ZDUSSCGKSA-N 0 1 299.370 3.877 20 0 CHADMN Cc1ccc([C@H]2CC[N@@H+](CCC(C)(C)C(=O)[O-])C2)c(C)c1 ZINC000902451361 1130013150 /nfs/dbraw/zinc/01/31/50/1130013150.db2.gz RBKLABBATFVWFI-HNNXBMFYSA-N 0 1 289.419 3.594 20 0 CHADMN CCc1oc(C[N@H+](C)C2CCC(CC)CC2)cc1C(=O)[O-] ZINC000902510599 1130018644 /nfs/dbraw/zinc/01/86/44/1130018644.db2.gz XPEJJJXOVJLIFS-UHFFFAOYSA-N 0 1 293.407 3.941 20 0 CHADMN CC(C)c1ccc(-c2cc3[nH]nnc3cc2F)cc1 ZINC001239625923 1130019060 /nfs/dbraw/zinc/01/90/60/1130019060.db2.gz PGDVDBJEUNTQNW-UHFFFAOYSA-N 0 1 255.296 3.887 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@@H]1CC1CCCCC1)C(=O)[O-] ZINC000902519875 1130020568 /nfs/dbraw/zinc/02/05/68/1130020568.db2.gz QZXNCSMMSRYTOA-OAHLLOKOSA-N 0 1 281.440 3.922 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902531130 1130020917 /nfs/dbraw/zinc/02/09/17/1130020917.db2.gz XFILXVSPHAMEFF-QWHCGFSZSA-N 0 1 299.370 3.875 20 0 CHADMN CNc1ccc(C)cc1CNCc1cc(C)cc(Cl)n1 ZINC000902536610 1130021188 /nfs/dbraw/zinc/02/11/88/1130021188.db2.gz JQJPZFHMNACZII-UHFFFAOYSA-N 0 1 289.810 3.683 20 0 CHADMN CCCNc1ccc(CNCc2nc(C)c(C)s2)cc1 ZINC000902529031 1130021222 /nfs/dbraw/zinc/02/12/22/1130021222.db2.gz WBEKMERDBSHKQU-UHFFFAOYSA-N 0 1 289.448 3.872 20 0 CHADMN CCc1oc(C[N@H+]2CCCC[C@@H]2C2CCC2)cc1C(=O)[O-] ZINC000902535439 1130021552 /nfs/dbraw/zinc/02/15/52/1130021552.db2.gz ZSIYCZQGSJXHEK-OAHLLOKOSA-N 0 1 291.391 3.695 20 0 CHADMN C[N@@H+](Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)C(C)(C)C ZINC000902534237 1130021586 /nfs/dbraw/zinc/02/15/86/1130021586.db2.gz JTGSYPWMJZJUNS-UHFFFAOYSA-N 0 1 287.359 3.875 20 0 CHADMN Cc1cc(C[N@H+]2CCCC23CCCCC3)oc1C(=O)[O-] ZINC000902543449 1130022353 /nfs/dbraw/zinc/02/23/53/1130022353.db2.gz PPNZYRJQUMTASG-UHFFFAOYSA-N 0 1 277.364 3.585 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000902543244 1130023081 /nfs/dbraw/zinc/02/30/81/1130023081.db2.gz QZOMXCICQFRVOU-IIYDPXPESA-N 0 1 299.370 3.744 20 0 CHADMN CNc1ccc(C)cc1CN[C@H]1c2ccccc2O[C@@H]1C ZINC000902562397 1130024881 /nfs/dbraw/zinc/02/48/81/1130024881.db2.gz MMXKNHXRFYUZIP-FZKQIMNGSA-N 0 1 282.387 3.649 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000902562069 1130025249 /nfs/dbraw/zinc/02/52/49/1130025249.db2.gz LFUZGIRCRBUPRN-SQWLQELKSA-N 0 1 281.440 3.636 20 0 CHADMN COc1cc(-c2ccc3nc[nH]c3c2C)cc(OC)c1OC ZINC001239642591 1130029741 /nfs/dbraw/zinc/02/97/41/1130029741.db2.gz VPTAMPOIGABILA-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN CCNc1ccccc1CN[C@H]1CCCc2cccnc21 ZINC000902657365 1130035268 /nfs/dbraw/zinc/03/52/68/1130035268.db2.gz XQKCFJNMQHUXJB-KRWDZBQOSA-N 0 1 281.403 3.681 20 0 CHADMN Cc1cc(Cl)ccc1OC(=O)c1ccc2cncn2c1 ZINC000785731594 1130051325 /nfs/dbraw/zinc/05/13/25/1130051325.db2.gz VOADMWDJHWDHSC-UHFFFAOYSA-N 0 1 286.718 3.515 20 0 CHADMN CC[C@@H](C(=O)OCc1ccc2occc2c1)N(CC)CC ZINC000802850434 1130051434 /nfs/dbraw/zinc/05/14/34/1130051434.db2.gz AINMVPGTEYMOHW-HNNXBMFYSA-N 0 1 289.375 3.596 20 0 CHADMN CCC(CC)[C@H](N[C@H](C)c1cn(C)nn1)c1cccs1 ZINC000902779389 1130055835 /nfs/dbraw/zinc/05/58/35/1130055835.db2.gz WKMHQCSCFVBOES-ABAIWWIYSA-N 0 1 292.452 3.705 20 0 CHADMN O=C(C=C1CCCCC1)Nc1nc2ccc(F)cc2[nH]1 ZINC000785877602 1130058724 /nfs/dbraw/zinc/05/87/24/1130058724.db2.gz VTFSSKVMENJYIJ-UHFFFAOYSA-N 0 1 273.311 3.531 20 0 CHADMN Cc1ccccc1[C@H](CC(C)C)N[C@H](C)c1cn(C)nn1 ZINC000902803406 1130059821 /nfs/dbraw/zinc/05/98/21/1130059821.db2.gz VEJJYZZNAOJZGK-ZBFHGGJFSA-N 0 1 286.423 3.562 20 0 CHADMN CN1CCc2c(F)cc(-c3ccc4[nH]ccc4c3)cc2C1 ZINC001239696866 1130060231 /nfs/dbraw/zinc/06/02/31/1130060231.db2.gz ITSGGEGZEYLQAK-UHFFFAOYSA-N 0 1 280.346 3.962 20 0 CHADMN COc1ccc(F)cc1-c1ccc2nc[nH]c2c1C ZINC001239719993 1130073352 /nfs/dbraw/zinc/07/33/52/1130073352.db2.gz DXFKBLLTWIIHMY-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN COc1ccc(F)cc1-c1cc2nc[nH]c2cc1F ZINC001239723486 1130075667 /nfs/dbraw/zinc/07/56/67/1130075667.db2.gz PQLJXVDURNUZLQ-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN C[C@H](OC(=O)Cc1[nH]nc2ccccc21)c1ccc(F)cc1 ZINC000746583714 1130092762 /nfs/dbraw/zinc/09/27/62/1130092762.db2.gz ZNQRGJKNGUBFBI-NSHDSACASA-N 0 1 298.317 3.549 20 0 CHADMN FC1(F)CCC[C@@H]1N[C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902989341 1130095911 /nfs/dbraw/zinc/09/59/11/1130095911.db2.gz BDFUUCBLNBULHW-ILXRZTDVSA-N 0 1 287.394 3.749 20 0 CHADMN CCc1nc(OC)ccc1-c1cccc(CN(C)C)c1F ZINC001239778319 1130104330 /nfs/dbraw/zinc/10/43/30/1130104330.db2.gz CFCVXXBROZWCLG-UHFFFAOYSA-N 0 1 288.366 3.520 20 0 CHADMN CCC[C@H](N[C@H](c1nncn1C)C(C)C)c1ccccc1 ZINC000903062859 1130107253 /nfs/dbraw/zinc/10/72/53/1130107253.db2.gz XYCRJOXSYRLMQB-HOTGVXAUSA-N 0 1 286.423 3.643 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1cccc(C2CC2)c1)c1nncn1C ZINC000903063672 1130107855 /nfs/dbraw/zinc/10/78/55/1130107855.db2.gz GWFLTUMQTYPCGX-CXAGYDPISA-N 0 1 298.434 3.740 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1cccc(C2CC2)c1)c1nncn1C ZINC000903063678 1130107917 /nfs/dbraw/zinc/10/79/17/1130107917.db2.gz GWFLTUMQTYPCGX-GUYCJALGSA-N 0 1 298.434 3.740 20 0 CHADMN Fc1cc(C2CC2)ccc1N[C@@H]1CCCc2cn[nH]c21 ZINC000903081016 1130109858 /nfs/dbraw/zinc/10/98/58/1130109858.db2.gz SXEMHJSMHOOGIX-OAHLLOKOSA-N 0 1 271.339 3.916 20 0 CHADMN CCSc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000903088837 1130110642 /nfs/dbraw/zinc/11/06/42/1130110642.db2.gz UHWIYMMFPPZKCV-OAHLLOKOSA-N 0 1 287.432 3.689 20 0 CHADMN COC(=O)c1nc2ccc(-c3ccc(C)cc3C)cc2[nH]1 ZINC001239812145 1130119451 /nfs/dbraw/zinc/11/94/51/1130119451.db2.gz RAVOEVPBDGMWAN-UHFFFAOYSA-N 0 1 280.327 3.633 20 0 CHADMN Fc1ccc(-c2nccs2)cc1CN1CCCC1 ZINC001242897682 1130123238 /nfs/dbraw/zinc/12/32/38/1130123238.db2.gz HPBGHMHLQJMFKC-UHFFFAOYSA-N 0 1 262.353 3.545 20 0 CHADMN C[C@H](NCc1nccc2c1CCCC2)c1ccsc1 ZINC000903184869 1130125983 /nfs/dbraw/zinc/12/59/83/1130125983.db2.gz OWXBWGGZLPUDGS-LBPRGKRZSA-N 0 1 272.417 3.873 20 0 CHADMN Cc1ccc(-c2cc(F)c3c(c2)CN(C)CC3)cc1F ZINC001239824732 1130126227 /nfs/dbraw/zinc/12/62/27/1130126227.db2.gz HVHOKNDASKYABV-UHFFFAOYSA-N 0 1 273.326 3.928 20 0 CHADMN CC(=O)OCc1cccc([C@H](C)NCc2ccc(C)o2)c1 ZINC000903210949 1130131523 /nfs/dbraw/zinc/13/15/23/1130131523.db2.gz BJDZMFXBNNRRLX-ZDUSSCGKSA-N 0 1 287.359 3.502 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccns2)cc1C ZINC000903234311 1130132695 /nfs/dbraw/zinc/13/26/95/1130132695.db2.gz MGNFHZQTURAZTJ-NEPJUHHUSA-N 0 1 276.405 3.872 20 0 CHADMN COc1ncccc1-c1cccc2nc(C(F)(F)F)[nH]c21 ZINC001239860613 1130137249 /nfs/dbraw/zinc/13/72/49/1130137249.db2.gz RFGZREDJPVDJNX-UHFFFAOYSA-N 0 1 293.248 3.652 20 0 CHADMN Cc1nc(F)ccc1CN1CCSC2(CCCCC2)C1 ZINC000787191575 1130139530 /nfs/dbraw/zinc/13/95/30/1130139530.db2.gz NWZVSFCIUHBJST-UHFFFAOYSA-N 0 1 294.439 3.781 20 0 CHADMN Cc1nc(F)ccc1CN1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000787271567 1130143671 /nfs/dbraw/zinc/14/36/71/1130143671.db2.gz MLYGIEZCYAGTON-MLGOLLRUSA-N 0 1 285.366 3.507 20 0 CHADMN CCc1nc(C)c([C@H](C)N[C@@H](C)c2cncs2)s1 ZINC000903309647 1130150913 /nfs/dbraw/zinc/15/09/13/1130150913.db2.gz GDRUKSIAPMHNNF-IUCAKERBSA-N 0 1 281.450 3.882 20 0 CHADMN CC(=O)Nc1ccc([C@@H](C)N[C@H](C)c2cncs2)cc1 ZINC000903312668 1130151770 /nfs/dbraw/zinc/15/17/70/1130151770.db2.gz XQLJRNQAXJBMSK-GHMZBOCLSA-N 0 1 289.404 3.513 20 0 CHADMN Fc1cccc(C2CC(N[C@H](c3ncccn3)C3CC3)C2)c1 ZINC000903327153 1130155813 /nfs/dbraw/zinc/15/58/13/1130155813.db2.gz PYKBNSBOQQEODD-PREGVCBESA-N 0 1 297.377 3.603 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@@H](c1ccccn1)C1CC1 ZINC000903335249 1130160620 /nfs/dbraw/zinc/16/06/20/1130160620.db2.gz MZNPJDSGPWWMSV-FZKQIMNGSA-N 0 1 281.403 3.841 20 0 CHADMN CC[C@@H](N[C@H](c1ccccn1)C1CC1)c1ccncc1 ZINC000903336525 1130161717 /nfs/dbraw/zinc/16/17/17/1130161717.db2.gz ZTLYPXNETGTLKE-WBVHZDCISA-N 0 1 267.376 3.669 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H](C)COCC1CCCCC1 ZINC000903353346 1130165509 /nfs/dbraw/zinc/16/55/09/1130165509.db2.gz BYFAJEOQFOHWMK-CABCVRRESA-N 0 1 293.455 3.539 20 0 CHADMN CN(C)c1cc(N[C@H]2CCCc3cn[nH]c32)ccc1Cl ZINC000903354325 1130165524 /nfs/dbraw/zinc/16/55/24/1130165524.db2.gz MKLGBFWUCDVHFG-ZDUSSCGKSA-N 0 1 290.798 3.619 20 0 CHADMN C[C@H](N[C@@H](c1ccncc1)C1CC1)c1cccc(O)c1F ZINC000903428449 1130175735 /nfs/dbraw/zinc/17/57/35/1130175735.db2.gz HGUUKGZJOJEBJS-APPDUMDISA-N 0 1 286.350 3.728 20 0 CHADMN CCOCc1noc2c1CN([C@H](C)CCCC(C)C)CC2 ZINC001170082218 1130175765 /nfs/dbraw/zinc/17/57/65/1130175765.db2.gz KFVJAGYTJZJEQX-CQSZACIVSA-N 0 1 294.439 3.784 20 0 CHADMN C[C@H](N[C@@H](c1ccncc1)C1CC1)c1ccncc1Cl ZINC000903430209 1130176995 /nfs/dbraw/zinc/17/69/95/1130176995.db2.gz VOLREYWCXAKWQU-MEDUHNTESA-N 0 1 287.794 3.932 20 0 CHADMN C[C@@H](NC/C=C\Cl)c1cc2c(ccnc2Cl)o1 ZINC000903444291 1130177785 /nfs/dbraw/zinc/17/77/85/1130177785.db2.gz OFJIJOBEXWMFJU-DLRBJTRDSA-N 0 1 271.147 3.884 20 0 CHADMN CCC[C@H](N[C@H]1COC[C@@H]1C1CC1)c1ncccc1Cl ZINC000903441132 1130177858 /nfs/dbraw/zinc/17/78/58/1130177858.db2.gz XVHHQUALNGEQBW-SNPRPXQTSA-N 0 1 294.826 3.591 20 0 CHADMN CC(C)[C@H](C(=O)OCc1cc2ccccc2s1)N(C)C ZINC000803494453 1130179510 /nfs/dbraw/zinc/17/95/10/1130179510.db2.gz FQOSNRUNKWXSQS-OAHLLOKOSA-N 0 1 291.416 3.531 20 0 CHADMN CCCCNC(=O)c1ccc(-c2cccn3cncc23)cc1 ZINC001239988604 1130183068 /nfs/dbraw/zinc/18/30/68/1130183068.db2.gz ZWUJMLKAVMDEEB-UHFFFAOYSA-N 0 1 293.370 3.531 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000903595054 1130183265 /nfs/dbraw/zinc/18/32/65/1130183265.db2.gz JCJVWTINYAUVOF-CXAGYDPISA-N 0 1 285.387 3.771 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1cc(Cl)cc2ccccc21 ZINC000903597112 1130183944 /nfs/dbraw/zinc/18/39/44/1130183944.db2.gz XZPLBKLMUPFFQF-UHFFFAOYSA-N 0 1 291.778 3.790 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)C[C@H](C)C1CCCCC1 ZINC000903606288 1130184983 /nfs/dbraw/zinc/18/49/83/1130184983.db2.gz IVDQBZXSBLYUOX-KCQAQPDRSA-N 0 1 269.429 3.634 20 0 CHADMN C[C@H]1CC[N@@H+](CCCCCC(=O)[O-])[C@@H]1c1ccccc1 ZINC000903625078 1130185014 /nfs/dbraw/zinc/18/50/14/1130185014.db2.gz FKWWGYFLQOHTSD-YOEHRIQHSA-N 0 1 275.392 3.715 20 0 CHADMN c1nc2cc[nH]c(-c3ccc(N4CCCCC4)cc3)c-2n1 ZINC001240000958 1130187882 /nfs/dbraw/zinc/18/78/82/1130187882.db2.gz ZUVQRUDTANSECW-UHFFFAOYSA-N 0 1 278.359 3.615 20 0 CHADMN Cc1cc2[nH]ccc2c(-c2cnn(Cc3ccccc3)c2)n1 ZINC001240001919 1130188059 /nfs/dbraw/zinc/18/80/59/1130188059.db2.gz QOWUMBRNHPTHQI-UHFFFAOYSA-N 0 1 288.354 3.783 20 0 CHADMN CC(C)[C@@H]1[N@@H+](Cc2ccc(C(=O)[O-])s2)CC12CCCC2 ZINC000903690696 1130189583 /nfs/dbraw/zinc/18/95/83/1130189583.db2.gz OOGUZLAMPQHMEL-AWEZNQCLSA-N 0 1 293.432 3.847 20 0 CHADMN CC(C)[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])s2)[C@@H]1C(C)C ZINC000903690716 1130189618 /nfs/dbraw/zinc/18/96/18/1130189618.db2.gz OWCNXCPBHUWINJ-GXTWGEPZSA-N 0 1 281.421 3.559 20 0 CHADMN CCC[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1ccc(F)cc1 ZINC000903696347 1130190210 /nfs/dbraw/zinc/19/02/10/1130190210.db2.gz GDXAMRWKZGFVHY-UHFFFAOYSA-N 0 1 293.382 3.683 20 0 CHADMN Cc1cccc([C@H]2CCC[N@H+]2CCC2(C(=O)[O-])CCC2)c1 ZINC000903697399 1130190589 /nfs/dbraw/zinc/19/05/89/1130190589.db2.gz TWIDSUAVCHFUBJ-MRXNPFEDSA-N 0 1 287.403 3.777 20 0 CHADMN CC[C@H](Cc1ccccc1)[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC000903696002 1130190662 /nfs/dbraw/zinc/19/06/62/1130190662.db2.gz PHCCISVKZUUETE-MRXNPFEDSA-N 0 1 289.419 3.585 20 0 CHADMN CC(C)c1ccccc1C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000903702351 1130191483 /nfs/dbraw/zinc/19/14/83/1130191483.db2.gz VQLMCGYYPBBTIG-HNNXBMFYSA-N 0 1 289.419 3.887 20 0 CHADMN Clc1ccc(-c2ccc(CNC3CSC3)o2)cc1 ZINC000788647641 1130197869 /nfs/dbraw/zinc/19/78/69/1130197869.db2.gz IMBBCAOOJZBHBU-UHFFFAOYSA-N 0 1 279.792 3.805 20 0 CHADMN CSCCCCc1noc([C@H](C)N2[C@H](C)CC[C@H]2C)n1 ZINC000903786044 1130198390 /nfs/dbraw/zinc/19/83/90/1130198390.db2.gz UVYHHSQCCJBULV-UPJWGTAASA-N 0 1 297.468 3.689 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cc(F)cc2[nH]ccc21 ZINC001240038102 1130202208 /nfs/dbraw/zinc/20/22/08/1130202208.db2.gz RDRXDRQNXVRPJK-UHFFFAOYSA-N 0 1 281.290 3.859 20 0 CHADMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC000903893393 1130208215 /nfs/dbraw/zinc/20/82/15/1130208215.db2.gz DEFGGBYMLXPWNH-CHWSQXEVSA-N 0 1 298.386 3.553 20 0 CHADMN CCC[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903888139 1130209038 /nfs/dbraw/zinc/20/90/38/1130209038.db2.gz RKCIGILEXSOSDT-LBPRGKRZSA-N 0 1 286.375 3.553 20 0 CHADMN Cc1cccc([C@@H]2CCCCC[N@H+]2C[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000903894247 1130209379 /nfs/dbraw/zinc/20/93/79/1130209379.db2.gz RNQBVLOHZWODEI-BBWFWOEESA-N 0 1 287.403 3.633 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]1CCC1CCCCC1 ZINC000903898267 1130209952 /nfs/dbraw/zinc/20/99/52/1130209952.db2.gz NRJASXGOPGECQE-ARFHVFGLSA-N 0 1 279.424 3.532 20 0 CHADMN CC(C)c1ccccc1C[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000903913334 1130210537 /nfs/dbraw/zinc/21/05/37/1130210537.db2.gz OJSBDYCYPPTKNO-FUHWJXTLSA-N 0 1 287.403 3.639 20 0 CHADMN COc1ccsc1CN[C@H]1c2ccccc2NC1(C)C ZINC000903948410 1130211246 /nfs/dbraw/zinc/21/12/46/1130211246.db2.gz PVBNAJSOFXYDBW-HNNXBMFYSA-N 0 1 288.416 3.792 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CC2CCCCCC2)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903949382 1130211684 /nfs/dbraw/zinc/21/16/84/1130211684.db2.gz AKSJUCHVZFEVOO-HOSILWTGSA-N 0 1 281.440 3.776 20 0 CHADMN CCc1ncc(CN[C@H]2c3ccccc3NC2(C)C)s1 ZINC000903949004 1130212078 /nfs/dbraw/zinc/21/20/78/1130212078.db2.gz XZTBSGMBPUBZFR-HNNXBMFYSA-N 0 1 287.432 3.741 20 0 CHADMN CN(Cc1nc(-c2cccc3[nH]ccc32)no1)CC(C)(C)C ZINC000903984066 1130213770 /nfs/dbraw/zinc/21/37/70/1130213770.db2.gz XHLSXRZVIBWOOQ-UHFFFAOYSA-N 0 1 298.390 3.696 20 0 CHADMN CCCOc1ccc(CNCc2ccc(F)nc2)c(C)c1 ZINC000788970489 1130220835 /nfs/dbraw/zinc/22/08/35/1130220835.db2.gz ULNLBBQFRHICOZ-UHFFFAOYSA-N 0 1 288.366 3.608 20 0 CHADMN Cc1ccc(-c2cnn(CN(C)CCC(C)C)c2)cc1 ZINC000748290854 1130227202 /nfs/dbraw/zinc/22/72/02/1130227202.db2.gz CXHFGZWBYKXIOR-UHFFFAOYSA-N 0 1 271.408 3.794 20 0 CHADMN C[C@@H]1CC[C@H](CN2CCC[C@@H]2c2ccc(F)c(F)c2)O1 ZINC000789323416 1130243333 /nfs/dbraw/zinc/24/33/33/1130243333.db2.gz IKUVIVGOAGHHEM-AXAPSJFSSA-N 0 1 281.346 3.669 20 0 CHADMN CCCc1cc(C(=O)N(C)C2CCCCCCC2)n[nH]1 ZINC000748750752 1130244526 /nfs/dbraw/zinc/24/45/26/1130244526.db2.gz UUEXRCYZXIBKIF-UHFFFAOYSA-N 0 1 277.412 3.547 20 0 CHADMN CC(C)C[C@H](C)N(C)Cc1ccn(-c2ccccc2)n1 ZINC000748806986 1130247619 /nfs/dbraw/zinc/24/76/19/1130247619.db2.gz YQLPZLIBVPLKPH-HNNXBMFYSA-N 0 1 271.408 3.739 20 0 CHADMN CC1(C)CN(C[C@@H](O)c2cccc(F)c2)[C@H]1c1ccccc1 ZINC000748832350 1130251850 /nfs/dbraw/zinc/25/18/50/1130251850.db2.gz GQFPHBAXXZGYCK-MSOLQXFVSA-N 0 1 299.389 3.942 20 0 CHADMN FCc1ccc(-c2cccc(CCN3CCOCC3)c2)cc1 ZINC001240265469 1130252157 /nfs/dbraw/zinc/25/21/57/1130252157.db2.gz HSGAOLPUWYVLRC-UHFFFAOYSA-N 0 1 299.389 3.698 20 0 CHADMN C[C@H]1CN(Cc2cscc2Br)C2(CC2)C1 ZINC001139349495 1130260852 /nfs/dbraw/zinc/26/08/52/1130260852.db2.gz BQUVRJQMJYINLE-SECBINFHSA-N 0 1 286.238 3.885 20 0 CHADMN C[C@@H]1CN(Cc2cscc2Br)C2(CC2)C1 ZINC001139349501 1130261163 /nfs/dbraw/zinc/26/11/63/1130261163.db2.gz BQUVRJQMJYINLE-VIFPVBQESA-N 0 1 286.238 3.885 20 0 CHADMN FC(F)(F)c1cc(-c2ccc3nc[nH]c3c2)ccn1 ZINC001240338829 1130269610 /nfs/dbraw/zinc/26/96/10/1130269610.db2.gz RWVJXWFIDXOODH-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN F[C@H]1CCN(Cc2cnc3ccccc3c2)CCC1(F)F ZINC001137277106 1130280230 /nfs/dbraw/zinc/28/02/30/1130280230.db2.gz PLBBNROGZLUYTD-HNNXBMFYSA-N 0 1 294.320 3.804 20 0 CHADMN Cc1cc(F)nc(C2=CCCN(Cc3ccccc3)C2)c1 ZINC001240388502 1130286609 /nfs/dbraw/zinc/28/66/09/1130286609.db2.gz NBPZYVWIIYENNY-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN Cc1ccccc1[C@H](NCc1cnc(Cl)cn1)C(C)C ZINC000790080430 1130287851 /nfs/dbraw/zinc/28/78/51/1130287851.db2.gz LTBBFQLHLSODAQ-MRXNPFEDSA-N 0 1 289.810 3.925 20 0 CHADMN C[C@@H]1CC[C@H](N2CCc3cc(Br)ccc3C2)C1 ZINC001170132924 1130307960 /nfs/dbraw/zinc/30/79/60/1130307960.db2.gz PCUJVAHXNGFYCA-ABAIWWIYSA-N 0 1 294.236 3.996 20 0 CHADMN Cc1cc(CNCc2cc(-c3ccccc3)cs2)ncn1 ZINC000677425060 1130311729 /nfs/dbraw/zinc/31/17/29/1130311729.db2.gz WJBKPPFVSWBTOM-UHFFFAOYSA-N 0 1 295.411 3.803 20 0 CHADMN Cc1cccc2nc(CN3CC[C@H]4CCCC[C@H]4C3)cn21 ZINC001137300994 1130313063 /nfs/dbraw/zinc/31/30/63/1130313063.db2.gz ZAIWDSNCSQUZBB-CVEARBPZSA-N 0 1 283.419 3.655 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC2(CC2)CC1 ZINC000677717546 1130323303 /nfs/dbraw/zinc/32/33/03/1130323303.db2.gz JADDUQYJSSJBPB-NSHDSACASA-N 0 1 251.320 3.902 20 0 CHADMN C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC2(CC2)CC1 ZINC000677718427 1130323320 /nfs/dbraw/zinc/32/33/20/1130323320.db2.gz BHRNCNWRWLDFKY-GFCCVEGCSA-N 0 1 292.810 3.543 20 0 CHADMN Fc1ccc(CN2CCC3(CC3)CC2)c(Br)c1 ZINC000677718337 1130323400 /nfs/dbraw/zinc/32/34/00/1130323400.db2.gz ZKMGPGDVUNYSIB-UHFFFAOYSA-N 0 1 298.199 3.964 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccc(F)c(F)c2)s1 ZINC000677753691 1130329134 /nfs/dbraw/zinc/32/91/34/1130329134.db2.gz OHCNVOOYRFBZNC-MRVPVSSYSA-N 0 1 268.332 3.581 20 0 CHADMN Cc1sccc1-c1ccc(CCN2CCOCC2)cc1 ZINC001240501452 1130331665 /nfs/dbraw/zinc/33/16/65/1130331665.db2.gz SDPPQCICHJLSLX-UHFFFAOYSA-N 0 1 287.428 3.598 20 0 CHADMN CC(=CC(=O)Nc1cc2cn[nH]c2cc1C)C(C)(C)C ZINC000791057520 1130348195 /nfs/dbraw/zinc/34/81/95/1130348195.db2.gz YGXBROKRFTWTPC-XFFZJAGNSA-N 0 1 271.364 3.802 20 0 CHADMN CCc1ccc(C(=O)Nc2cc3cn[nH]c3cc2C)s1 ZINC000791053963 1130348207 /nfs/dbraw/zinc/34/82/07/1130348207.db2.gz ATYCYFAPFDLYNT-UHFFFAOYSA-N 0 1 285.372 3.748 20 0 CHADMN CC(C)Oc1cccc(F)c1-c1cccn2cncc12 ZINC001243267441 1130348287 /nfs/dbraw/zinc/34/82/87/1130348287.db2.gz ZFOYPPCWZUAUSQ-UHFFFAOYSA-N 0 1 270.307 3.928 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1nn(C)c2ccccc12 ZINC000678125833 1130354027 /nfs/dbraw/zinc/35/40/27/1130354027.db2.gz SHCRLCHTBKZNAJ-CQSZACIVSA-N 0 1 279.387 3.766 20 0 CHADMN COc1ccccc1/C=C\CN(C)Cc1ccsc1 ZINC000678126407 1130354695 /nfs/dbraw/zinc/35/46/95/1130354695.db2.gz PKMMOPKQJJBRGF-ALCCZGGFSA-N 0 1 273.401 3.902 20 0 CHADMN O=C(OC/C=C\c1ccccc1)c1c(F)cc(O)cc1F ZINC000746984968 1130355260 /nfs/dbraw/zinc/35/52/60/1130355260.db2.gz CBXNQUZUXQNPGJ-DAXSKMNVSA-N 0 1 290.265 3.541 20 0 CHADMN CN(Cc1cn2cccc(F)c2n1)[C@@H]1CCc2ccccc21 ZINC000678131846 1130355929 /nfs/dbraw/zinc/35/59/29/1130355929.db2.gz PVLZGPOWOVCSLP-QGZVFWFLSA-N 0 1 295.361 3.593 20 0 CHADMN CC(C)c1ccc([C@@H](C)N(C)Cc2cn[nH]c2)cc1 ZINC000678141166 1130358573 /nfs/dbraw/zinc/35/85/73/1130358573.db2.gz RBDQAKSUCJOLLU-CYBMUJFWSA-N 0 1 257.381 3.726 20 0 CHADMN C[C@H]1CC[C@@H]([N@H+]2Cc3cnc(-c4ccccc4)nc3C2)C1 ZINC001170150699 1130358643 /nfs/dbraw/zinc/35/86/43/1130358643.db2.gz OLOKVZNYROEZOG-XJKSGUPXSA-N 0 1 279.387 3.648 20 0 CHADMN CCCN(Cc1ccccc1F)Cc1nc(C)ccc1O ZINC000678146917 1130358983 /nfs/dbraw/zinc/35/89/83/1130358983.db2.gz ZLJDOPHWNLQDKG-UHFFFAOYSA-N 0 1 288.366 3.647 20 0 CHADMN C[C@@H]1CO[C@@H](C(F)(F)F)CN1CC1CCCCCC1 ZINC001170151396 1130361717 /nfs/dbraw/zinc/36/17/17/1130361717.db2.gz WBJFNYXTZWHDOX-DGCLKSJQSA-N 0 1 279.346 3.608 20 0 CHADMN Clc1cscc1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000678190770 1130367875 /nfs/dbraw/zinc/36/78/75/1130367875.db2.gz UYNSQQXGLPGWKT-SNVBAGLBSA-N 0 1 281.812 3.504 20 0 CHADMN Cc1ncccc1CN1CC(C)(C)[C@H]1c1ccccc1 ZINC000678214532 1130372867 /nfs/dbraw/zinc/37/28/67/1130372867.db2.gz ZJYKDTKZYGNQKM-QGZVFWFLSA-N 0 1 266.388 3.973 20 0 CHADMN CC1(C)CN(Cc2cccc(O)c2)[C@H]1c1ccccc1 ZINC000678213930 1130373237 /nfs/dbraw/zinc/37/32/37/1130373237.db2.gz JPGLAYSFOVSPED-KRWDZBQOSA-N 0 1 267.372 3.975 20 0 CHADMN CCOC(=O)c1cc2ccc(-c3cc(C)cc(F)c3)[nH]c-2n1 ZINC001240593563 1130377374 /nfs/dbraw/zinc/37/73/74/1130377374.db2.gz YEVGFRWNXYOLMO-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN CCCn1cc(CN2CCc3ccccc3[C@@H]2CC)cn1 ZINC000678266567 1130383568 /nfs/dbraw/zinc/38/35/68/1130383568.db2.gz JVQIEGFUOGDMNO-SFHVURJKSA-N 0 1 283.419 3.803 20 0 CHADMN CCOC[C@H]1CCCN(Cc2cscc2Cl)C1 ZINC000678267376 1130384234 /nfs/dbraw/zinc/38/42/34/1130384234.db2.gz PSOODFJHVUIRDH-NSHDSACASA-N 0 1 273.829 3.650 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1nn(C)c2ccccc12 ZINC000678279230 1130387689 /nfs/dbraw/zinc/38/76/89/1130387689.db2.gz PLAJCRMRKWOZBR-CQSZACIVSA-N 0 1 291.398 3.520 20 0 CHADMN CCc1ccc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)s1 ZINC000678295908 1130393249 /nfs/dbraw/zinc/39/32/49/1130393249.db2.gz LRBUMVZGZXMQIM-OAHLLOKOSA-N 0 1 289.448 3.553 20 0 CHADMN CCc1ccc(CN(C)[C@@H]2CCCc3c2cnn3C)s1 ZINC000678295908 1130393254 /nfs/dbraw/zinc/39/32/54/1130393254.db2.gz LRBUMVZGZXMQIM-OAHLLOKOSA-N 0 1 289.448 3.553 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCCCCF ZINC000791729052 1130395240 /nfs/dbraw/zinc/39/52/40/1130395240.db2.gz OTSPUYDXEZAYFI-UHFFFAOYSA-N 0 1 290.338 3.682 20 0 CHADMN CCc1ccc([C@@H]2C[C@@H](C)CCN2Cc2cn[nH]c2)o1 ZINC000678299482 1130397345 /nfs/dbraw/zinc/39/73/45/1130397345.db2.gz YXFZTVRCIGYIDT-WFASDCNBSA-N 0 1 273.380 3.538 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1cnc(C(C)(C)C)s1 ZINC000678361476 1130408177 /nfs/dbraw/zinc/40/81/77/1130408177.db2.gz DATUCITUDVESLJ-GFCCVEGCSA-N 0 1 289.448 3.995 20 0 CHADMN COc1ccc(C)cc1CN[C@@H](C)c1cnccc1C ZINC000678362777 1130409717 /nfs/dbraw/zinc/40/97/17/1130409717.db2.gz OFUNTBYSUNDXQU-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1cccnc1)c1ccccn1 ZINC000678424102 1130415517 /nfs/dbraw/zinc/41/55/17/1130415517.db2.gz NUCWIDKYGRJIOS-XJKSGUPXSA-N 0 1 255.365 3.669 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2cnccc2C)s1 ZINC000678429148 1130416576 /nfs/dbraw/zinc/41/65/76/1130416576.db2.gz WJRJCAFRAONAGG-GHMZBOCLSA-N 0 1 261.394 3.567 20 0 CHADMN O=C(Nc1ccc(C2CC2)cc1)c1cc(-c2ccco2)n[nH]1 ZINC000678484688 1130421425 /nfs/dbraw/zinc/42/14/25/1130421425.db2.gz WDPJAVNSPPCVAQ-UHFFFAOYSA-N 0 1 293.326 3.799 20 0 CHADMN Cc1ccc(-c2ccccc2CN2CCOCC2)cc1C ZINC001240700785 1130426110 /nfs/dbraw/zinc/42/61/10/1130426110.db2.gz DICLPELYSXUWID-UHFFFAOYSA-N 0 1 281.399 3.803 20 0 CHADMN CCC[C@H](N[C@@H](C)c1cnccc1C)c1ccccn1 ZINC000678544159 1130426134 /nfs/dbraw/zinc/42/61/34/1130426134.db2.gz MEJSLCHFGSSIHS-YOEHRIQHSA-N 0 1 269.392 3.977 20 0 CHADMN Fc1ccc2[nH]cc(CN3CC[C@@H](C(F)(F)F)C3)c2c1 ZINC001137339753 1130426679 /nfs/dbraw/zinc/42/66/79/1130426679.db2.gz CLKXSGNDNCDAJH-SNVBAGLBSA-N 0 1 286.272 3.691 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(F)cn1)CC2 ZINC000678584461 1130432320 /nfs/dbraw/zinc/43/23/20/1130432320.db2.gz PXYPAAGLRHQXMK-PXAZEXFGSA-N 0 1 270.351 3.867 20 0 CHADMN COC[C@@H](N[C@@H](C)c1ccc(C)nc1C)c1ccccc1 ZINC000678589390 1130433188 /nfs/dbraw/zinc/43/31/88/1130433188.db2.gz XACHSTHIKXMJGQ-MAUKXSAKSA-N 0 1 284.403 3.737 20 0 CHADMN Cc1ncc(-c2ccc(F)c(CN3CCCC3)c2)s1 ZINC001243380905 1130435033 /nfs/dbraw/zinc/43/50/33/1130435033.db2.gz GWBVOCWPKIOAMY-UHFFFAOYSA-N 0 1 276.380 3.853 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(C)nc1C)CO2 ZINC000678597115 1130435696 /nfs/dbraw/zinc/43/56/96/1130435696.db2.gz ZNEWDHQGYHTUEU-RHSMWYFYSA-N 0 1 282.387 3.791 20 0 CHADMN C[C@H](N[C@H]1CC[C@H]1C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000792178809 1130435779 /nfs/dbraw/zinc/43/57/79/1130435779.db2.gz FWJZAAUYRBPKEG-NRUUGDAUSA-N 0 1 291.782 3.839 20 0 CHADMN C[C@H](N[C@@H]1CC[C@H]1C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000792178807 1130435806 /nfs/dbraw/zinc/43/58/06/1130435806.db2.gz FWJZAAUYRBPKEG-GBIKHYSHSA-N 0 1 291.782 3.839 20 0 CHADMN C[C@H](NCc1c(F)c(F)cc(F)c1F)C(C)(C)C ZINC000678594738 1130435880 /nfs/dbraw/zinc/43/58/80/1130435880.db2.gz HAKIYPKOJJZSBU-ZETCQYMHSA-N 0 1 263.278 3.767 20 0 CHADMN Cc1cc(CN[C@H](c2cccs2)C2CCCC2)ncn1 ZINC000678604896 1130439441 /nfs/dbraw/zinc/43/94/41/1130439441.db2.gz NHHLCLVLIMYADL-INIZCTEOSA-N 0 1 287.432 3.868 20 0 CHADMN COc1c(F)ccc(F)c1-c1cc2nc[nH]c2cc1F ZINC001240726185 1130440888 /nfs/dbraw/zinc/44/08/88/1130440888.db2.gz OPPUEXFSQJMWKE-UHFFFAOYSA-N 0 1 278.233 3.656 20 0 CHADMN Cc1c(F)cccc1-c1cc(F)c2c(c1)CN(C)CC2 ZINC001240733080 1130446164 /nfs/dbraw/zinc/44/61/64/1130446164.db2.gz FEOSAXHMETYBSD-UHFFFAOYSA-N 0 1 273.326 3.928 20 0 CHADMN CC(C)Cn1ccnc1CN[C@@H]1c2ccccc2CC[C@H]1C ZINC000678771638 1130451581 /nfs/dbraw/zinc/45/15/81/1130451581.db2.gz WQMNJNTWFNOAOU-BEFAXECRSA-N 0 1 297.446 3.952 20 0 CHADMN c1ccc2c(c1)n[nH]c2C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001137349740 1130452323 /nfs/dbraw/zinc/45/23/23/1130452323.db2.gz IGJMEJOQTTZOMA-KGLIPLIRSA-N 0 1 269.392 3.575 20 0 CHADMN COCOc1cc(C)ccc1-c1ccc2nc[nH]c2c1C ZINC001240755791 1130455832 /nfs/dbraw/zinc/45/58/32/1130455832.db2.gz YJGKSOIKYVCNJC-UHFFFAOYSA-N 0 1 282.343 3.829 20 0 CHADMN C[C@@H](CCc1ccccc1)CN1CCO[C@H](c2ccco2)C1 ZINC000678839986 1130463749 /nfs/dbraw/zinc/46/37/49/1130463749.db2.gz JDVLEFLKFZDBJM-LPHOPBHVSA-N 0 1 299.414 3.922 20 0 CHADMN CC[C@@H]1C[C@H](N2CCc3c4ccccc4oc3C2)CCO1 ZINC001170233553 1130464744 /nfs/dbraw/zinc/46/47/44/1130464744.db2.gz HBLDETMLZIOTNE-ZIAGYGMSSA-N 0 1 285.387 3.749 20 0 CHADMN c1cc2cnc(-c3ccc4c(c3)CCCO4)cc2[nH]1 ZINC001240773106 1130465700 /nfs/dbraw/zinc/46/57/00/1130465700.db2.gz BNBHRFQIAIUPGO-UHFFFAOYSA-N 0 1 250.301 3.555 20 0 CHADMN CCO[C@H](C)c1noc(CN[C@H](CC)C2CCCCC2)n1 ZINC000678895731 1130467645 /nfs/dbraw/zinc/46/76/45/1130467645.db2.gz UAGKSSGJVIBBMW-TZMCWYRMSA-N 0 1 295.427 3.616 20 0 CHADMN S=c1nc2[nH]cnc(-c3ccc4cc[nH]c4c3)c-2s1 ZINC001240796799 1130476853 /nfs/dbraw/zinc/47/68/53/1130476853.db2.gz HATFDINWHHERFN-UHFFFAOYSA-N 0 1 284.369 3.523 20 0 CHADMN CCC(C)(C)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000678987073 1130479645 /nfs/dbraw/zinc/47/96/45/1130479645.db2.gz DJCBRLMBPWEXFT-UHFFFAOYSA-N 0 1 252.427 3.642 20 0 CHADMN C[C@@H]1CCCN(Cc2nc3c(s2)CCCC3)[C@@H]1C ZINC000678977156 1130479932 /nfs/dbraw/zinc/47/99/32/1130479932.db2.gz NVQBGRLUFHIXQY-VXGBXAGGSA-N 0 1 264.438 3.642 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)N1CCn2cccc2C1 ZINC001170286401 1130479938 /nfs/dbraw/zinc/47/99/38/1130479938.db2.gz YEXFSZHIASIENK-ZDUSSCGKSA-N 0 1 274.795 3.588 20 0 CHADMN C[C@H](N(C)Cc1nc2c(s1)CCCC2)C1(C)CC1 ZINC000678993786 1130480154 /nfs/dbraw/zinc/48/01/54/1130480154.db2.gz XWEHWWJAXJGXHS-NSHDSACASA-N 0 1 264.438 3.642 20 0 CHADMN CO[C@H]1C[C@@H](N(C)Cc2cccc(Cl)c2F)C12CCC2 ZINC001170325201 1130481853 /nfs/dbraw/zinc/48/18/53/1130481853.db2.gz XXFDZEFFBSTBOM-KGLIPLIRSA-N 0 1 297.801 3.869 20 0 CHADMN Cc1ncc([C@H](C)NC2(c3ccc(F)cc3)CC2)s1 ZINC000679040588 1130485717 /nfs/dbraw/zinc/48/57/17/1130485717.db2.gz DZSIMFODPGWJRL-JTQLQIEISA-N 0 1 276.380 3.931 20 0 CHADMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CCCCCF ZINC000792866924 1130502327 /nfs/dbraw/zinc/50/23/27/1130502327.db2.gz LXXIHPBOEYZHAA-INMHGKMJSA-N 0 1 279.399 3.977 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)N(C)CCOC(C)(C)C ZINC000679216917 1130502408 /nfs/dbraw/zinc/50/24/08/1130502408.db2.gz FEYVXHXOFTYOOT-LBPRGKRZSA-N 0 1 276.380 3.636 20 0 CHADMN C[C@@H]1CCN(CCSc2ccc(F)cc2)C[C@H]1F ZINC000679225760 1130505078 /nfs/dbraw/zinc/50/50/78/1130505078.db2.gz YEZCGBJJCSQFFK-BXUZGUMPSA-N 0 1 271.376 3.598 20 0 CHADMN Cc1[nH]ncc1[C@@H](C)Nc1ccc2c(cnn2C(C)C)c1 ZINC000679363342 1130521531 /nfs/dbraw/zinc/52/15/31/1130521531.db2.gz HZSUVKHDVNTPLO-LLVKDONJSA-N 0 1 283.379 3.822 20 0 CHADMN CCC(CC)(CC)C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000679371186 1130523383 /nfs/dbraw/zinc/52/33/83/1130523383.db2.gz YIWNLNJXFPKPLP-UHFFFAOYSA-N 0 1 290.367 3.528 20 0 CHADMN Cc1[nH]ncc1[C@H](C)Nc1cnn(CC(C)C)c1C(F)F ZINC000679366297 1130524088 /nfs/dbraw/zinc/52/40/88/1130524088.db2.gz YKHOFUYVCVGJGL-VIFPVBQESA-N 0 1 297.353 3.681 20 0 CHADMN CSc1ccc(F)cc1CNCc1ccc(O)cc1 ZINC000679394004 1130526007 /nfs/dbraw/zinc/52/60/07/1130526007.db2.gz FKRVXYQMWYEMSI-UHFFFAOYSA-N 0 1 277.364 3.543 20 0 CHADMN CCc1nc(C)c([C@@H](C)N(C)Cc2ccc(O)cc2)s1 ZINC000679391960 1130526446 /nfs/dbraw/zinc/52/64/46/1130526446.db2.gz CMORRDSXWHZSKH-GFCCVEGCSA-N 0 1 290.432 3.913 20 0 CHADMN C[C@@H]1C[C@H](C)N1Cc1ccc(CSC(F)F)o1 ZINC000793229100 1130531904 /nfs/dbraw/zinc/53/19/04/1130531904.db2.gz UTISIVAPAQWMDT-DTORHVGOSA-N 0 1 261.337 3.718 20 0 CHADMN Cc1nc2c(s1)[C@H](NCc1cccc(F)c1F)CCC2 ZINC000679485504 1130532754 /nfs/dbraw/zinc/53/27/54/1130532754.db2.gz MYUNSXJXCFIDDN-GFCCVEGCSA-N 0 1 294.370 3.897 20 0 CHADMN CCCOC1CCN(Cc2ccc(C(C)(C)C)[nH]2)CC1 ZINC001137376221 1130533313 /nfs/dbraw/zinc/53/33/13/1130533313.db2.gz AZDPYAVJTWBTAE-UHFFFAOYSA-N 0 1 278.440 3.703 20 0 CHADMN Cc1cc(C)cc(OCCN(Cc2ccccn2)C2CC2)c1 ZINC000679489588 1130533484 /nfs/dbraw/zinc/53/34/84/1130533484.db2.gz CKCFLJOVRBAWHC-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN CC(C)(C)c1ccc(CN2CC[C@]3(CC3(F)F)C2)[nH]1 ZINC001137376626 1130534718 /nfs/dbraw/zinc/53/47/18/1130534718.db2.gz KPQQDVDECXCPLS-AWEZNQCLSA-N 0 1 268.351 3.543 20 0 CHADMN COc1cc(F)c(-c2cc3nc[nH]c3cc2F)cc1F ZINC001240959966 1130537521 /nfs/dbraw/zinc/53/75/21/1130537521.db2.gz VNTGCBPUSYHRQL-UHFFFAOYSA-N 0 1 278.233 3.656 20 0 CHADMN C[C@H]1CC[C@H](C(F)(F)F)CN1CCC(=O)c1ccccc1 ZINC000679544134 1130538073 /nfs/dbraw/zinc/53/80/73/1130538073.db2.gz GOVDDQHLXVHJIQ-JSGCOSHPSA-N 0 1 299.336 3.922 20 0 CHADMN C[C@H]1CC[C@H](C(F)(F)F)CN1CCC(F)(F)F ZINC000679544887 1130539820 /nfs/dbraw/zinc/53/98/20/1130539820.db2.gz IOLOYRRSRSGJLO-YUMQZZPRSA-N 0 1 263.225 3.602 20 0 CHADMN CCO[C@H]1CCCN(Cc2ccc(Cl)c(C)c2)C1 ZINC000679580680 1130542699 /nfs/dbraw/zinc/54/26/99/1130542699.db2.gz STQQIGLIOKZZKC-AWEZNQCLSA-N 0 1 267.800 3.649 20 0 CHADMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1cccc(O)c1 ZINC000679582795 1130544511 /nfs/dbraw/zinc/54/45/11/1130544511.db2.gz AAPPURPHQDDYHZ-ZYHUDNBSSA-N 0 1 273.298 3.555 20 0 CHADMN CC(C)Oc1ccccc1CN1CCC(F)(F)CC1 ZINC000793360443 1130544564 /nfs/dbraw/zinc/54/45/64/1130544564.db2.gz UYKWBKNNYNVBLU-UHFFFAOYSA-N 0 1 269.335 3.705 20 0 CHADMN CC(C)Oc1ccc(CN2CCC(F)(F)CC2)cc1 ZINC000793357982 1130544666 /nfs/dbraw/zinc/54/46/66/1130544666.db2.gz AHFKYZBPDALPOO-UHFFFAOYSA-N 0 1 269.335 3.705 20 0 CHADMN FC1(F)CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000793361412 1130546021 /nfs/dbraw/zinc/54/60/21/1130546021.db2.gz HEZYJNALXKVOTN-UHFFFAOYSA-N 0 1 281.346 3.707 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cc(F)c(F)c(F)c1 ZINC001240981014 1130548604 /nfs/dbraw/zinc/54/86/04/1130548604.db2.gz VSUQXKXLDQFASI-UHFFFAOYSA-N 0 1 278.233 3.656 20 0 CHADMN Cc1ccc(Br)c(CN2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001137384351 1130549780 /nfs/dbraw/zinc/54/97/80/1130549780.db2.gz DPJSGHNUAAIMBM-SGMGOOAPSA-N 0 1 298.199 3.690 20 0 CHADMN CN1CCc2c(F)cc(-c3ccc(F)c(F)c3F)cc2C1 ZINC001240994111 1130557302 /nfs/dbraw/zinc/55/73/02/1130557302.db2.gz WTZNVNJJNXXAEB-UHFFFAOYSA-N 0 1 295.279 3.898 20 0 CHADMN CO[C@H](C)CSc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000679842268 1130559908 /nfs/dbraw/zinc/55/99/08/1130559908.db2.gz JZIKHHIONNZXOU-SSDOTTSWSA-N 0 1 290.310 3.709 20 0 CHADMN CC[C@@H](N[C@H](C)c1cc(C)nn1C)c1ccccc1OC ZINC000793528347 1130561141 /nfs/dbraw/zinc/56/11/41/1130561141.db2.gz XBSRPJUGKGDABB-UKRRQHHQSA-N 0 1 287.407 3.539 20 0 CHADMN Cc1cc([C@H](C)NCc2oc3ccccc3c2C)n(C)n1 ZINC000793542015 1130567084 /nfs/dbraw/zinc/56/70/84/1130567084.db2.gz OLVXOGWYYIBSFM-ZDUSSCGKSA-N 0 1 283.375 3.634 20 0 CHADMN COc1cccc(F)c1-c1cc2nc[nH]c2cc1F ZINC001241014782 1130567642 /nfs/dbraw/zinc/56/76/42/1130567642.db2.gz JQMOMGNJQFBMTJ-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN COc1c(C)cc(-c2ccc3nc[nH]c3c2)cc1C ZINC001241016503 1130568598 /nfs/dbraw/zinc/56/85/98/1130568598.db2.gz JPLXAVFSVDEADJ-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN CCc1nnc(CSc2nc3ccc(C)cc3[nH]2)s1 ZINC000680022131 1130571842 /nfs/dbraw/zinc/57/18/42/1130571842.db2.gz NNMAELZFGXNXEW-UHFFFAOYSA-N 0 1 290.417 3.578 20 0 CHADMN CSc1cc(C)ccc1CN[C@H](C)c1cc(C)nn1C ZINC000793529493 1130572154 /nfs/dbraw/zinc/57/21/54/1130572154.db2.gz BXDDKNDBZHNLPB-CYBMUJFWSA-N 0 1 289.448 3.610 20 0 CHADMN O=c1[nH]cc(C[N@H+]2CCc3sccc3C2)c2ccccc12 ZINC001233973143 1130591824 /nfs/dbraw/zinc/59/18/24/1130591824.db2.gz UNYYXAFIBKNKCI-UHFFFAOYSA-N 0 1 296.395 3.560 20 0 CHADMN O=c1[nH]cc(CN2CCc3sccc3C2)c2ccccc12 ZINC001233973143 1130591825 /nfs/dbraw/zinc/59/18/25/1130591825.db2.gz UNYYXAFIBKNKCI-UHFFFAOYSA-N 0 1 296.395 3.560 20 0 CHADMN C[C@@H]1CCC[C@H](CCOC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000757999109 1130592653 /nfs/dbraw/zinc/59/26/53/1130592653.db2.gz YXOHSVPWNPKARP-MCIONIFRSA-N 0 1 290.407 3.589 20 0 CHADMN CCCC[C@@H](CCC)OC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000758135467 1130600345 /nfs/dbraw/zinc/60/03/45/1130600345.db2.gz NVGLHCVHWYTWKM-OLZOCXBDSA-N 0 1 278.396 3.732 20 0 CHADMN CC[C@]1(C)CC[N@@H+](Cn2cc(-c3ccccc3)cn2)C1 ZINC000758399617 1130609806 /nfs/dbraw/zinc/60/98/06/1130609806.db2.gz XAXASIVUTDYXGM-QGZVFWFLSA-N 0 1 269.392 3.630 20 0 CHADMN C[C@@H](NCc1cccc(F)n1)c1cccc(Cl)c1 ZINC000747744241 1130648314 /nfs/dbraw/zinc/64/83/14/1130648314.db2.gz KVRWSGIEAHULMG-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN CC(C)(C)C1=CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000759269248 1130648731 /nfs/dbraw/zinc/64/87/31/1130648731.db2.gz RZIORCFOJBQLLO-MRXNPFEDSA-N 0 1 295.373 3.676 20 0 CHADMN CC1(C)CN(C[C@H](O)c2ccc(F)cc2Cl)[C@@H]1C1CC1 ZINC000811821641 1130650232 /nfs/dbraw/zinc/65/02/32/1130650232.db2.gz LPUZFKDNCNVVFP-LSDHHAIUSA-N 0 1 297.801 3.633 20 0 CHADMN C[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)c1cscn1 ZINC001170666912 1130673052 /nfs/dbraw/zinc/67/30/52/1130673052.db2.gz RNHXIPOBBJILAS-CABZTGNLSA-N 0 1 294.370 3.629 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccc(Cl)nc1 ZINC000780718396 1130687890 /nfs/dbraw/zinc/68/78/90/1130687890.db2.gz YJFQGEPGYOMOSA-NSHDSACASA-N 0 1 275.783 3.543 20 0 CHADMN CN1CC[C@H](Oc2cc(F)cc(C(F)(F)F)c2Cl)C1 ZINC001234953778 1130696213 /nfs/dbraw/zinc/69/62/13/1130696213.db2.gz VQZLDGYXTARAQX-QMMMGPOBSA-N 0 1 297.679 3.581 20 0 CHADMN CN(Cc1c[nH]c(-c2ccccc2F)c1)Cc1ccccn1 ZINC001235035379 1130702922 /nfs/dbraw/zinc/70/29/22/1130702922.db2.gz LVFKTCDYSOAVLM-UHFFFAOYSA-N 0 1 295.361 3.848 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Oc3cccnc3)cc2)C[C@@H]1F ZINC001235113152 1130711358 /nfs/dbraw/zinc/71/13/58/1130711358.db2.gz VEZDIVDQBWEPHR-DYVFJYSZSA-N 0 1 286.350 3.664 20 0 CHADMN Fc1cc(F)c2c(c1)CC[C@@H](N1CC3(C1)CC(F)(F)C3)C2 ZINC001170686408 1130713736 /nfs/dbraw/zinc/71/37/36/1130713736.db2.gz ZNRCMKBAMHKQDU-GFCCVEGCSA-N 0 1 299.311 3.553 20 0 CHADMN c1cc(-c2csc(CN3CC4(C3)CCOC4)c2)cs1 ZINC001235174033 1130718047 /nfs/dbraw/zinc/71/80/47/1130718047.db2.gz BNGKMDFYIMDENB-UHFFFAOYSA-N 0 1 291.441 3.699 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@](C)(F)CC2)c(F)c1 ZINC001235191987 1130722666 /nfs/dbraw/zinc/72/26/66/1130722666.db2.gz FAKOPBMSVLBRTJ-HNNXBMFYSA-N 0 1 271.326 3.987 20 0 CHADMN Fc1cccc2cc(CN3CC[C@@]4(CC4(F)F)C3)[nH]c21 ZINC001235246957 1130727173 /nfs/dbraw/zinc/72/71/73/1130727173.db2.gz NJMYWSVFBJWFNG-CQSZACIVSA-N 0 1 280.293 3.538 20 0 CHADMN CCN(Cc1cc2cccc(F)c2[nH]1)Cc1cccnc1 ZINC001235244001 1130727897 /nfs/dbraw/zinc/72/78/97/1130727897.db2.gz AMGVYEWYXXRKHN-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN Fc1cccc2cc(CN3CCc4ccccc4CC3)[nH]c21 ZINC001235248052 1130728100 /nfs/dbraw/zinc/72/81/00/1130728100.db2.gz VTFGCXQPCGHXHZ-UHFFFAOYSA-N 0 1 294.373 3.908 20 0 CHADMN CCc1cccc(CN(CC)Cc2cccc(OC)c2)n1 ZINC001235263830 1130729719 /nfs/dbraw/zinc/72/97/19/1130729719.db2.gz KHIIHBHZPVKQED-UHFFFAOYSA-N 0 1 284.403 3.675 20 0 CHADMN CCc1cccc(CN(C)Cc2cccc3cccnc32)n1 ZINC001235259919 1130730591 /nfs/dbraw/zinc/73/05/91/1130730591.db2.gz ZARKTAYFLREFGG-UHFFFAOYSA-N 0 1 291.398 3.824 20 0 CHADMN CC(C)N(Cc1cc(F)c(F)c(F)c1F)C(C)C ZINC001235339494 1130734453 /nfs/dbraw/zinc/73/44/53/1130734453.db2.gz IXOIVNLHWZELNL-UHFFFAOYSA-N 0 1 263.278 3.862 20 0 CHADMN Cc1cc(OC(C)C)ncc1CN1CCC(C(F)F)CC1 ZINC001235427234 1130741875 /nfs/dbraw/zinc/74/18/75/1130741875.db2.gz CGMSSJLIXUYMIX-UHFFFAOYSA-N 0 1 298.377 3.654 20 0 CHADMN COc1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc(F)c1F ZINC001235434442 1130743712 /nfs/dbraw/zinc/74/37/12/1130743712.db2.gz JQTBRVUQDIHYRP-BETUJISGSA-N 0 1 281.346 3.595 20 0 CHADMN COC(CN(Cc1ccccc1)Cc1ccccc1C)OC ZINC000781884503 1130745424 /nfs/dbraw/zinc/74/54/24/1130745424.db2.gz XYOHVYXVPBGPSV-UHFFFAOYSA-N 0 1 299.414 3.616 20 0 CHADMN COC(CN(C)[C@@H](C)c1ccc(Cl)c(Cl)c1)OC ZINC000781883974 1130745925 /nfs/dbraw/zinc/74/59/25/1130745925.db2.gz UGXBQWGSABSNDA-VIFPVBQESA-N 0 1 292.206 3.605 20 0 CHADMN Fc1cncc(CN2CCC[C@@H]3CCC[C@H]32)c1Cl ZINC001235493327 1130748612 /nfs/dbraw/zinc/74/86/12/1130748612.db2.gz AIOLMWQMMAWFAK-GXFFZTMASA-N 0 1 268.763 3.639 20 0 CHADMN C[C@@H](N[C@H](C)c1cncc(F)c1)c1ccnc(Cl)c1 ZINC000781926789 1130749043 /nfs/dbraw/zinc/74/90/43/1130749043.db2.gz YYQWNQHGHCKABC-NXEZZACHSA-N 0 1 279.746 3.681 20 0 CHADMN C[C@H]1CC[C@]2(CCN(Cc3coc(C4CC4)n3)C2)C1 ZINC000781928105 1130750187 /nfs/dbraw/zinc/75/01/87/1130750187.db2.gz JJBXLFKDJUWEMX-LRDDRELGSA-N 0 1 260.381 3.564 20 0 CHADMN CN(C)Cc1ccc(NC(=O)[C@H]2CCC(C)(C)C2)cc1F ZINC000782005207 1130752185 /nfs/dbraw/zinc/75/21/85/1130752185.db2.gz PZZLWGMQBOFURF-LBPRGKRZSA-N 0 1 292.398 3.652 20 0 CHADMN C[C@@H]1CCN(Cc2ccnc(N(C)C)c2)[C@H](c2ccco2)C1 ZINC000782174099 1130757330 /nfs/dbraw/zinc/75/73/30/1130757330.db2.gz CUCAWBBHMZTZNN-ZBFHGGJFSA-N 0 1 299.418 3.714 20 0 CHADMN F[C@H]1CCCN(Cc2ccccc2-c2ccncc2)C1 ZINC001235618636 1130759100 /nfs/dbraw/zinc/75/91/00/1130759100.db2.gz MELCPOPBPKNJAW-INIZCTEOSA-N 0 1 270.351 3.683 20 0 CHADMN Cc1cncc(Br)c1CN1CCC[C@H](C)[C@@H]1C ZINC001235647653 1130759918 /nfs/dbraw/zinc/75/99/18/1130759918.db2.gz RJKAFCHNIREXFE-JQWIXIFHSA-N 0 1 297.240 3.773 20 0 CHADMN CC(C)(C)OC(=O)n1cccc1CN1CCC2(CC2)CC1 ZINC001235626329 1130761430 /nfs/dbraw/zinc/76/14/30/1130761430.db2.gz CJIYQJZABYMVMC-UHFFFAOYSA-N 0 1 290.407 3.647 20 0 CHADMN C[C@@H](C1CC1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000782193894 1130761440 /nfs/dbraw/zinc/76/14/40/1130761440.db2.gz PIWOESWPLHRFHI-NHYWBVRUSA-N 0 1 299.336 3.877 20 0 CHADMN C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(O)c(F)c2)C1 ZINC000813336933 1130761784 /nfs/dbraw/zinc/76/17/84/1130761784.db2.gz LCSQRQUSOSUSGI-BLLLJJGKSA-N 0 1 286.350 3.509 20 0 CHADMN CN(CCCc1ccccc1)Cc1c(F)ccc(N)c1F ZINC001235670141 1130764316 /nfs/dbraw/zinc/76/43/16/1130764316.db2.gz QNTZYVPLZYWLGY-UHFFFAOYSA-N 0 1 290.357 3.612 20 0 CHADMN Cc1nc(Cl)ccc1NCc1[nH]nc2ccccc21 ZINC000694040152 1130784431 /nfs/dbraw/zinc/78/44/31/1130784431.db2.gz YCWNLZCATQXTPG-UHFFFAOYSA-N 0 1 272.739 3.532 20 0 CHADMN COc1nccc(CN2CCCCC[C@@H]2C)c1Cl ZINC001235832548 1130784779 /nfs/dbraw/zinc/78/47/79/1130784779.db2.gz KPJMKEZVHRUSNB-NSHDSACASA-N 0 1 268.788 3.508 20 0 CHADMN Cc1cccc(CCN(C)Cc2c(F)ccc(N)c2F)c1 ZINC001235839028 1130785859 /nfs/dbraw/zinc/78/58/59/1130785859.db2.gz HIMWZGIJBSBKPL-UHFFFAOYSA-N 0 1 290.357 3.530 20 0 CHADMN COc1ccc(N[C@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000813863034 1130789898 /nfs/dbraw/zinc/78/98/98/1130789898.db2.gz GMWQSUZYDJEDML-HNNXBMFYSA-N 0 1 286.379 3.547 20 0 CHADMN NCc1ncc(-c2cc(Cl)c(Cl)c(Cl)c2)cn1 ZINC001235910538 1130801631 /nfs/dbraw/zinc/80/16/31/1130801631.db2.gz VRMIEFLPPUPDKV-UHFFFAOYSA-N 0 1 288.565 3.563 20 0 CHADMN Cc1ccc([C@H](C)Nc2ccc3nc[nH]c3n2)c(C)c1 ZINC001170723538 1130815084 /nfs/dbraw/zinc/81/50/84/1130815084.db2.gz SHTSICNBHJXAGY-LBPRGKRZSA-N 0 1 266.348 3.748 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1ccccc1C(C)C ZINC000783316454 1130816980 /nfs/dbraw/zinc/81/69/80/1130816980.db2.gz MXJLGNACVYDZAP-CQSZACIVSA-N 0 1 269.392 3.759 20 0 CHADMN Oc1c(F)cc(F)c(-c2cccc3c2COCC3)c1F ZINC001235996048 1130824178 /nfs/dbraw/zinc/82/41/78/1130824178.db2.gz SHRZBQKJBUKWAT-UHFFFAOYSA-N 0 1 280.245 3.549 20 0 CHADMN Oc1c(F)cc(F)c(-c2cc(-c3ccco3)ncn2)c1F ZINC001235993492 1130824313 /nfs/dbraw/zinc/82/43/13/1130824313.db2.gz MYVZTBSHLIFKNM-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN Cc1csc2cnc(-c3c(F)cc(F)c(O)c3F)nc12 ZINC001235990891 1130824537 /nfs/dbraw/zinc/82/45/37/1130824537.db2.gz RSIQZWDQXAJEGH-UHFFFAOYSA-N 0 1 296.273 3.790 20 0 CHADMN Oc1c(F)cc(F)c(-c2cc(F)ncc2C2CC2)c1F ZINC001235994057 1130825213 /nfs/dbraw/zinc/82/52/13/1130825213.db2.gz IZOBOZCAKYRNNN-UHFFFAOYSA-N 0 1 283.224 3.888 20 0 CHADMN CCOc1ccc(-c2c(F)cc(F)c(O)c2F)c(C)n1 ZINC001235995255 1130825345 /nfs/dbraw/zinc/82/53/45/1130825345.db2.gz CCKOHCRCNXEVHS-UHFFFAOYSA-N 0 1 283.249 3.579 20 0 CHADMN CCOc1cccc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235995988 1130825937 /nfs/dbraw/zinc/82/59/37/1130825937.db2.gz IPXZPSACLPYITD-UHFFFAOYSA-N 0 1 268.234 3.875 20 0 CHADMN CN(C)c1cccc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235998143 1130827419 /nfs/dbraw/zinc/82/74/19/1130827419.db2.gz VCFJWRUMQYOOJA-UHFFFAOYSA-N 0 1 267.250 3.543 20 0 CHADMN Oc1c(F)cc(F)c(-c2cccc3ocnc32)c1F ZINC001235998919 1130827492 /nfs/dbraw/zinc/82/74/92/1130827492.db2.gz SQXCDFJDYIIMTM-UHFFFAOYSA-N 0 1 265.190 3.618 20 0 CHADMN Cc1cc(F)ccc1-c1c(F)cc(F)c(O)c1F ZINC001235996963 1130827924 /nfs/dbraw/zinc/82/79/24/1130827924.db2.gz BFONLONKJUVZSV-UHFFFAOYSA-N 0 1 256.198 3.924 20 0 CHADMN Oc1c(F)cc(F)c(-c2cccc3ncoc32)c1F ZINC001235997693 1130827941 /nfs/dbraw/zinc/82/79/41/1130827941.db2.gz RQZNEUSPARBBBM-UHFFFAOYSA-N 0 1 265.190 3.618 20 0 CHADMN CCOc1ncc(-c2c(F)cc(F)c(O)c2F)cc1C ZINC001235998365 1130827955 /nfs/dbraw/zinc/82/79/55/1130827955.db2.gz WZAIVAQHEVWDHU-UHFFFAOYSA-N 0 1 283.249 3.579 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccccc2-c2ncc[nH]2)c1F ZINC001236002312 1130828568 /nfs/dbraw/zinc/82/85/68/1130828568.db2.gz MZLTVFYTQRRQJT-UHFFFAOYSA-N 0 1 290.244 3.867 20 0 CHADMN c1cc2[nH]nnc2c(-c2ccc(-c3ccncc3)cc2)c1 ZINC001236038308 1130834728 /nfs/dbraw/zinc/83/47/28/1130834728.db2.gz SWHQSFVHYMRXBE-UHFFFAOYSA-N 0 1 272.311 3.687 20 0 CHADMN CCc1ccccc1CONC(=O)C(C)(C)c1ccccc1 ZINC000783558543 1130837440 /nfs/dbraw/zinc/83/74/40/1130837440.db2.gz SAXCQYDRILRVKV-UHFFFAOYSA-N 0 1 297.398 3.775 20 0 CHADMN Cc1nc2ccc(-c3ccnn3Cc3ccccc3)cc2[nH]1 ZINC001236049943 1130839474 /nfs/dbraw/zinc/83/94/74/1130839474.db2.gz VBVMIQKCTPOBQV-UHFFFAOYSA-N 0 1 288.354 3.783 20 0 CHADMN CN(C)Cc1ccc(-c2cccc(C3CC3)c2)nc1 ZINC001236084785 1130852785 /nfs/dbraw/zinc/85/27/85/1130852785.db2.gz XFPLYPHOMHPRTI-UHFFFAOYSA-N 0 1 252.361 3.688 20 0 CHADMN CC1(C)[C@@H]2C[C@@H](n3c(-c4ccccc4)cnc3CN)C[C@@H]21 ZINC001170736947 1130854474 /nfs/dbraw/zinc/85/44/74/1130854474.db2.gz UIQWTBLKCCQIGS-QKDCVEJESA-N 0 1 281.403 3.616 20 0 CHADMN Cc1cc2[nH]cnc2cc1-c1cccnc1OC(C)C ZINC001236104354 1130862652 /nfs/dbraw/zinc/86/26/52/1130862652.db2.gz XNZYCZGIEHTADI-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN CCCN1CCCC[C@@H]1C(=O)OCc1ccc(Cl)cc1 ZINC001324702533 1130872793 /nfs/dbraw/zinc/87/27/93/1130872793.db2.gz HTOWUGIUKJQCSX-OAHLLOKOSA-N 0 1 295.810 3.648 20 0 CHADMN CN[C@@H]1CCN1Cc1ccc(Oc2ccccc2)cc1C ZINC001236166318 1130878401 /nfs/dbraw/zinc/87/84/01/1130878401.db2.gz FGEYCUFHGYYYFF-SFHVURJKSA-N 0 1 282.387 3.539 20 0 CHADMN C[C@@H](CCC(C)(C)C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814468740 1130878950 /nfs/dbraw/zinc/87/89/50/1130878950.db2.gz XTRRQULRDVPCKP-NSHDSACASA-N 0 1 295.427 3.608 20 0 CHADMN C[C@@H](CCC(C)(C)C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814468740 1130878952 /nfs/dbraw/zinc/87/89/52/1130878952.db2.gz XTRRQULRDVPCKP-NSHDSACASA-N 0 1 295.427 3.608 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1cncc2ccccc21 ZINC000784221076 1130891916 /nfs/dbraw/zinc/89/19/16/1130891916.db2.gz CUJZVGPMCHTTPM-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN Cc1cccc(Cl)c1CN1CCc2c(N)cccc2C1 ZINC001236364265 1130920491 /nfs/dbraw/zinc/92/04/91/1130920491.db2.gz WHEIHZGYTDQNQJ-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN CC[C@H](NCc1cccnc1F)c1cccc(C)c1 ZINC000796973865 1130949927 /nfs/dbraw/zinc/94/99/27/1130949927.db2.gz BKVKNILXQINQJS-HNNXBMFYSA-N 0 1 258.340 3.770 20 0 CHADMN CC(C)Nc1ccc(-c2cc3[nH]nnc3cc2F)cc1 ZINC001236483410 1130953214 /nfs/dbraw/zinc/95/32/14/1130953214.db2.gz DGXHDHKPDLUQBU-UHFFFAOYSA-N 0 1 270.311 3.584 20 0 CHADMN CC(C)Nc1ccc(-c2cc3nn[nH]c3cc2F)cc1 ZINC001236483410 1130953219 /nfs/dbraw/zinc/95/32/19/1130953219.db2.gz DGXHDHKPDLUQBU-UHFFFAOYSA-N 0 1 270.311 3.584 20 0 CHADMN Cn1ncc(CNCc2csc3ccccc23)c1Cl ZINC000815115691 1130958251 /nfs/dbraw/zinc/95/82/51/1130958251.db2.gz LPGZCHFFMRUSOV-UHFFFAOYSA-N 0 1 291.807 3.578 20 0 CHADMN Cn1ncc(CN[C@H]2CC(C)(C)c3ccccc32)c1Cl ZINC000815129466 1130961192 /nfs/dbraw/zinc/96/11/92/1130961192.db2.gz OXPNJZFZGXAIRA-AWEZNQCLSA-N 0 1 289.810 3.586 20 0 CHADMN C[C@@H](CSC(C)(C)C)N[C@@H](C)c1c(F)cncc1F ZINC000797125671 1130964199 /nfs/dbraw/zinc/96/41/99/1130964199.db2.gz JYKHZXYRFOCELG-UWVGGRQHSA-N 0 1 288.407 3.931 20 0 CHADMN C[C@@H](COC(=O)[C@@H]1CCCc2[nH]ncc21)C1CCCCC1 ZINC000815219651 1130970898 /nfs/dbraw/zinc/97/08/98/1130970898.db2.gz NXODYGNUXZKUJL-GXTWGEPZSA-N 0 1 290.407 3.589 20 0 CHADMN CC(C)Oc1cc(-c2cc(N3CCCC3)ccn2)ccn1 ZINC001236551141 1130973563 /nfs/dbraw/zinc/97/35/63/1130973563.db2.gz FKGWXHOGFTWAOF-UHFFFAOYSA-N 0 1 283.375 3.531 20 0 CHADMN FCc1ccc(CN2CCOC[C@@H]2CC2CCC2)cc1 ZINC000815296358 1130977806 /nfs/dbraw/zinc/97/78/06/1130977806.db2.gz KZHORAYKSBNHEC-KRWDZBQOSA-N 0 1 277.383 3.547 20 0 CHADMN Cc1cnc(NC2CC(C)(C)OC(C)(C)C2)cc1C ZINC001159324198 1130980113 /nfs/dbraw/zinc/98/01/13/1130980113.db2.gz STPDRCUJYKILDY-UHFFFAOYSA-N 0 1 262.397 3.847 20 0 CHADMN CCC[N@@H+](CC)Cc1c(C)cc(Cl)nc1Cl ZINC001236597618 1130981783 /nfs/dbraw/zinc/98/17/83/1130981783.db2.gz DJJNZPFSTRWUTF-UHFFFAOYSA-N 0 1 261.196 3.929 20 0 CHADMN CCCN(CC)Cc1c(C)cc(Cl)nc1Cl ZINC001236597618 1130981786 /nfs/dbraw/zinc/98/17/86/1130981786.db2.gz DJJNZPFSTRWUTF-UHFFFAOYSA-N 0 1 261.196 3.929 20 0 CHADMN C[N@@H+](CCC1CC1)Cc1cnc(Cl)c(C(F)(F)F)c1 ZINC001236626563 1130984974 /nfs/dbraw/zinc/98/49/74/1130984974.db2.gz SAAQOYLDQLWVDX-UHFFFAOYSA-N 0 1 292.732 3.986 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2cc(Cl)cc(C)n2)cc1 ZINC001236640276 1130987443 /nfs/dbraw/zinc/98/74/43/1130987443.db2.gz VQILSALJCGZXKE-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(Cl)cc(C)n2)cc1 ZINC001236640276 1130987445 /nfs/dbraw/zinc/98/74/45/1130987445.db2.gz VQILSALJCGZXKE-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN COCC[C@@H]1CCCCN1Cc1ccc(Cl)c(F)c1 ZINC001137653243 1130990774 /nfs/dbraw/zinc/99/07/74/1130990774.db2.gz FNPBCMXIPKUQJX-ZDUSSCGKSA-N 0 1 285.790 3.870 20 0 CHADMN COc1cc2ccccc2cc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001236677146 1130991356 /nfs/dbraw/zinc/99/13/56/1130991356.db2.gz HUIVPZKOJRBNOL-XIRDDKMYSA-N 0 1 285.362 3.638 20 0 CHADMN c1cc2c(cccc2CN2CCOCC23CCC3)s1 ZINC001236690569 1130994032 /nfs/dbraw/zinc/99/40/32/1130994032.db2.gz UMEPSSKADAITRR-UHFFFAOYSA-N 0 1 273.401 3.656 20 0 CHADMN C[N@H+](Cc1ccc(Br)c([O-])c1)CC(C)(C)C ZINC001236687332 1130994766 /nfs/dbraw/zinc/99/47/66/1130994766.db2.gz LIMNZPYOZSTYSE-UHFFFAOYSA-N 0 1 286.213 3.633 20 0 CHADMN C[N@@H+](Cc1ccc(Br)c([O-])c1)CC(C)(C)C ZINC001236687332 1130994771 /nfs/dbraw/zinc/99/47/71/1130994771.db2.gz LIMNZPYOZSTYSE-UHFFFAOYSA-N 0 1 286.213 3.633 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2ccc(Br)c(O)c2)C1 ZINC001236699355 1130995582 /nfs/dbraw/zinc/99/55/82/1130995582.db2.gz RBRFGOFQVVOQGT-GHMZBOCLSA-N 0 1 298.224 3.633 20 0 CHADMN [O-]c1cc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)ccc1F ZINC001236704916 1130996290 /nfs/dbraw/zinc/99/62/90/1130996290.db2.gz GQPMUQLJSIIPHC-KGLIPLIRSA-N 0 1 263.356 3.543 20 0 CHADMN [O-]c1cc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)ccc1F ZINC001236704916 1130996293 /nfs/dbraw/zinc/99/62/93/1130996293.db2.gz GQPMUQLJSIIPHC-KGLIPLIRSA-N 0 1 263.356 3.543 20 0 CHADMN O=C1CCN(Cc2cccc3occc32)[C@H]2CCCC[C@@H]12 ZINC001236733572 1131001191 /nfs/dbraw/zinc/00/11/91/1131001191.db2.gz ARWAHFYINHQARR-CVEARBPZSA-N 0 1 283.371 3.766 20 0 CHADMN C[C@]1(F)CCN(Cc2cccc3ccoc32)C[C@H]1F ZINC001236731164 1131001379 /nfs/dbraw/zinc/00/13/79/1131001379.db2.gz XDUZRUFICLKMGV-HIFRSBDPSA-N 0 1 265.303 3.705 20 0 CHADMN Cc1ccc2nc(CN[C@@H](C)c3ccc(F)cc3C)cn2c1 ZINC000815576181 1131001501 /nfs/dbraw/zinc/00/15/01/1131001501.db2.gz LMJYRDLGMJSPMA-AWEZNQCLSA-N 0 1 297.377 3.941 20 0 CHADMN CC[C@@H]1CCCN1Cc1ccc(O)cc1OC(F)(F)F ZINC001236727566 1131001769 /nfs/dbraw/zinc/00/17/69/1131001769.db2.gz XWAVODBERCETQD-LLVKDONJSA-N 0 1 289.297 3.665 20 0 CHADMN Cc1cnc2c(c1)CN(Cc1cccc3occc31)CC2 ZINC001236737605 1131003591 /nfs/dbraw/zinc/00/35/91/1131003591.db2.gz GRQGFISPGKWLBC-UHFFFAOYSA-N 0 1 278.355 3.695 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2CC[C@H](C)C[C@@H]2C)c1 ZINC001236776123 1131004716 /nfs/dbraw/zinc/00/47/16/1131004716.db2.gz QDRNFEXFMVYOKH-RYUDHWBXSA-N 0 1 295.810 3.747 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1cccc(F)n1 ZINC000815597757 1131006123 /nfs/dbraw/zinc/00/61/23/1131006123.db2.gz FGFQDNYYDQAJJF-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)N[C@@H](CO)c1ccsc1 ZINC000815617903 1131009653 /nfs/dbraw/zinc/00/96/53/1131009653.db2.gz XYACLFRYJFHNNR-ABAIWWIYSA-N 0 1 279.380 3.580 20 0 CHADMN Cc1nc2cccc(-c3ccc(N)cc3Cl)c2[nH]1 ZINC001245508149 1131013322 /nfs/dbraw/zinc/01/33/22/1131013322.db2.gz SKDJHLMOOXLLIK-UHFFFAOYSA-N 0 1 257.724 3.774 20 0 CHADMN COc1cc(CN2CC[C@H]3CCC[C@@H]3C2)c(F)cc1F ZINC001236819772 1131015010 /nfs/dbraw/zinc/01/50/10/1131015010.db2.gz DPFWEUBIDBKPIQ-VXGBXAGGSA-N 0 1 281.346 3.595 20 0 CHADMN COc1cc(CN2CCC(C(C)C)CC2)c(F)cc1F ZINC001236829806 1131017373 /nfs/dbraw/zinc/01/73/73/1131017373.db2.gz FDJGNDQUIWFRGC-UHFFFAOYSA-N 0 1 283.362 3.841 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C[C@@H]3CCC(F)(F)C3)ccc12 ZINC000797967795 1131018054 /nfs/dbraw/zinc/01/80/54/1131018054.db2.gz DVWCWXGLCHBWCK-JTQLQIEISA-N 0 1 293.317 3.635 20 0 CHADMN Nc1ccc(-c2cc3nc[nH]c3cc2F)c(Cl)c1 ZINC001245510025 1131019309 /nfs/dbraw/zinc/01/93/09/1131019309.db2.gz RNPLACUIXYYWBB-UHFFFAOYSA-N 0 1 261.687 3.605 20 0 CHADMN Cc1ccc(CN2CCC(=O)C(C)(C)C2)c2ccccc12 ZINC001138016586 1131020356 /nfs/dbraw/zinc/02/03/56/1131020356.db2.gz JONIXZUQTXOIKP-UHFFFAOYSA-N 0 1 281.399 3.949 20 0 CHADMN CCN(Cc1cc2sccc2nc1Cl)CC(C)(C)O ZINC001236863478 1131025806 /nfs/dbraw/zinc/02/58/06/1131025806.db2.gz HYMHRYBZFDCDFB-UHFFFAOYSA-N 0 1 298.839 3.543 20 0 CHADMN Clc1cc(CN2CC3(CCC3)C2)ccc1-n1cccn1 ZINC001236898878 1131028920 /nfs/dbraw/zinc/02/89/20/1131028920.db2.gz VOAVDIHXKSKAGM-UHFFFAOYSA-N 0 1 287.794 3.512 20 0 CHADMN Clc1cc(-n2ccnc2)ccc1CN1CC2(CCC2)C1 ZINC001236914633 1131030980 /nfs/dbraw/zinc/03/09/80/1131030980.db2.gz ZTRHDNXNEWYPQD-UHFFFAOYSA-N 0 1 287.794 3.512 20 0 CHADMN Cc1ccc(-c2cncc(CN3C[C@@H]4C[C@@H]4[C@H](F)C3)c2)cc1 ZINC001236990893 1131035538 /nfs/dbraw/zinc/03/55/38/1131035538.db2.gz KKZMPCOCYTUWPP-GBESFXJTSA-N 0 1 296.389 3.847 20 0 CHADMN Clc1ccc(-c2ccc(CN3CC=CC3)cn2)cc1 ZINC001237004909 1131036418 /nfs/dbraw/zinc/03/64/18/1131036418.db2.gz CXAPUYMGIZNISN-UHFFFAOYSA-N 0 1 270.763 3.774 20 0 CHADMN CC(C)(C)Oc1ccccc1CN1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001237022584 1131036733 /nfs/dbraw/zinc/03/67/33/1131036733.db2.gz JJNSJZQTLOCTST-GASCZTMLSA-N 0 1 287.403 3.560 20 0 CHADMN COc1cccc(CN(C)C2CC(C)C2)c1Cl ZINC001237184598 1131064310 /nfs/dbraw/zinc/06/43/10/1131064310.db2.gz BTDULUYXCWXJGX-UHFFFAOYSA-N 0 1 253.773 3.579 20 0 CHADMN FC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(N3CCCC3)c2)C1 ZINC001237097259 1131048466 /nfs/dbraw/zinc/04/84/66/1131048466.db2.gz YICRRNKDVYDCQT-HNNXBMFYSA-N 0 1 294.389 3.607 20 0 CHADMN FC[C@H]1CCC[N@@H+](Cc2ccc(F)c(N3CCCC3)c2)C1 ZINC001237097262 1131049469 /nfs/dbraw/zinc/04/94/69/1131049469.db2.gz YICRRNKDVYDCQT-OAHLLOKOSA-N 0 1 294.389 3.607 20 0 CHADMN CC(C)[C@H]1COCCN1Cc1cccc(OC(C)(C)C)c1 ZINC001237104036 1131049886 /nfs/dbraw/zinc/04/98/86/1131049886.db2.gz XGZVCTPMLUAEGY-QGZVFWFLSA-N 0 1 291.435 3.721 20 0 CHADMN CN(Cc1ccccn1)Cc1ccnc2c(Cl)cccc12 ZINC001237145157 1131057979 /nfs/dbraw/zinc/05/79/79/1131057979.db2.gz WVUILOOVPUUITJ-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN C[C@H]1CC[C@H]([N@H+](C)Cc2sc(=O)[n-]c2Cl)CC1 ZINC001237155796 1131059622 /nfs/dbraw/zinc/05/96/22/1131059622.db2.gz SCSUEZOGVKGLKJ-KYZUINATSA-N 0 1 274.817 3.513 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2sc(=O)[n-]c2Cl)CC1 ZINC001237155796 1131059627 /nfs/dbraw/zinc/05/96/27/1131059627.db2.gz SCSUEZOGVKGLKJ-KYZUINATSA-N 0 1 274.817 3.513 20 0 CHADMN CCCOC1CCN(Cc2ccc(F)c(F)c2C)CC1 ZINC001237161753 1131062136 /nfs/dbraw/zinc/06/21/36/1131062136.db2.gz QGRBAWBZHFTMES-UHFFFAOYSA-N 0 1 283.362 3.664 20 0 CHADMN CCN(Cc1cccc(F)c1F)CC1OC=CC1=S ZINC001237181010 1131063935 /nfs/dbraw/zinc/06/39/35/1131063935.db2.gz CKARYUQEMJNBQT-UHFFFAOYSA-N 0 1 283.343 3.869 20 0 CHADMN CCCOC1CCN(Cc2cccc(OC)c2Cl)CC1 ZINC001237188314 1131066155 /nfs/dbraw/zinc/06/61/55/1131066155.db2.gz JUGJTJWYILYFHQ-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN c1cc(CN2CCCCC23COC3)c2cccccc1-2 ZINC001237191925 1131068051 /nfs/dbraw/zinc/06/80/51/1131068051.db2.gz YJQUKQZPFKVDOW-UHFFFAOYSA-N 0 1 267.372 3.546 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1cnc(Cl)cn1 ZINC000799126537 1131071655 /nfs/dbraw/zinc/07/16/55/1131071655.db2.gz GAGLIYHQIXUKCR-CYBMUJFWSA-N 0 1 267.804 3.675 20 0 CHADMN Clc1cccc(Cl)c1CN1CCNC2=CCCC[C@@H]21 ZINC001237221924 1131072172 /nfs/dbraw/zinc/07/21/72/1131072172.db2.gz YYVHMVPHOPSYMD-HNNXBMFYSA-N 0 1 297.229 3.835 20 0 CHADMN Cc1c(F)ccc(CN2CCNC3=CCCC[C@H]32)c1Cl ZINC001237227545 1131073577 /nfs/dbraw/zinc/07/35/77/1131073577.db2.gz ASFUSNQHJXNERM-OAHLLOKOSA-N 0 1 294.801 3.629 20 0 CHADMN Cc1c(F)ccc(CN2CCNC3=CCCC[C@@H]32)c1Cl ZINC001237227544 1131073643 /nfs/dbraw/zinc/07/36/43/1131073643.db2.gz ASFUSNQHJXNERM-HNNXBMFYSA-N 0 1 294.801 3.629 20 0 CHADMN COc1nc(Cl)ccc1CN1CCC[C@H]2CCC[C@H]21 ZINC001237242217 1131073651 /nfs/dbraw/zinc/07/36/51/1131073651.db2.gz CFUJKYBIUCMIKF-DGCLKSJQSA-N 0 1 280.799 3.508 20 0 CHADMN CCC[C@H]1CCCCN1Cc1ccc(Cl)nc1OC ZINC001237245758 1131074306 /nfs/dbraw/zinc/07/43/06/1131074306.db2.gz XWWRCEBKMAKGHY-ZDUSSCGKSA-N 0 1 282.815 3.898 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CC[C@H](c2ccccn2)C1 ZINC000799193679 1131076718 /nfs/dbraw/zinc/07/67/18/1131076718.db2.gz QERNRFLCXYTFLG-OLZOCXBDSA-N 0 1 288.341 3.910 20 0 CHADMN Fc1cccc(CN2CC[C@H](c3ccccn3)C2)c1Cl ZINC000799194487 1131076771 /nfs/dbraw/zinc/07/67/71/1131076771.db2.gz RZNGYQVBDXRBGV-LBPRGKRZSA-N 0 1 290.769 3.864 20 0 CHADMN Oc1cc(F)cc(CN2CCC3(CC[C@@H](F)C3)CC2)c1 ZINC001237282206 1131077721 /nfs/dbraw/zinc/07/77/21/1131077721.db2.gz ZVSQZMILCDOSBS-CYBMUJFWSA-N 0 1 281.346 3.636 20 0 CHADMN C[C@H]1CCN(Cc2ccncc2C(F)(F)F)[C@@H](C)C1 ZINC001237292681 1131078449 /nfs/dbraw/zinc/07/84/49/1131078449.db2.gz QJUWWORXYMOANE-QWRGUYRKSA-N 0 1 272.314 3.721 20 0 CHADMN CC[C@H](C)N(C)Cc1cc(O)c(C)cc1Br ZINC001237299072 1131079401 /nfs/dbraw/zinc/07/94/01/1131079401.db2.gz RXFNEAIOELQTIR-JTQLQIEISA-N 0 1 286.213 3.693 20 0 CHADMN COc1ccc(-c2ccccc2)c(CN2CC[C@H](F)C2)c1 ZINC001237308885 1131080265 /nfs/dbraw/zinc/08/02/65/1131080265.db2.gz PKWUETZJOLAWIA-INIZCTEOSA-N 0 1 285.362 3.906 20 0 CHADMN COc1ccc(-c2ccccc2)c(CN(C)CCF)c1 ZINC001237316156 1131080442 /nfs/dbraw/zinc/08/04/42/1131080442.db2.gz LURSXOJQYGWIIQ-UHFFFAOYSA-N 0 1 273.351 3.764 20 0 CHADMN COC[C@@H]1CCCN1Cc1c(Cl)ccc(C)c1Cl ZINC001237327976 1131085296 /nfs/dbraw/zinc/08/52/96/1131085296.db2.gz JYSLPANLFCLKKF-NSHDSACASA-N 0 1 288.218 3.913 20 0 CHADMN CC(C)(C)CCCCC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000816407779 1131085800 /nfs/dbraw/zinc/08/58/00/1131085800.db2.gz OZMKBPNPLAKDFT-UHFFFAOYSA-N 0 1 295.427 3.752 20 0 CHADMN CC(C)(C)CCCCC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000816407779 1131085802 /nfs/dbraw/zinc/08/58/02/1131085802.db2.gz OZMKBPNPLAKDFT-UHFFFAOYSA-N 0 1 295.427 3.752 20 0 CHADMN CCCCC[C@@H](C)CC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000816407552 1131085813 /nfs/dbraw/zinc/08/58/13/1131085813.db2.gz HOTDGUIXSWIZMS-GFCCVEGCSA-N 0 1 295.427 3.752 20 0 CHADMN CCCCC[C@@H](C)CC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000816407552 1131085820 /nfs/dbraw/zinc/08/58/20/1131085820.db2.gz HOTDGUIXSWIZMS-GFCCVEGCSA-N 0 1 295.427 3.752 20 0 CHADMN CCc1cccc(C)c1C[N@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001237335975 1131086821 /nfs/dbraw/zinc/08/68/21/1131086821.db2.gz RSPXIZTXLQUDBH-AEFFLSMTSA-N 0 1 285.431 3.891 20 0 CHADMN C[C@H]1CC[N@H+]1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001237337694 1131087096 /nfs/dbraw/zinc/08/70/96/1131087096.db2.gz FGGGPTQJHDEYBI-LBPRGKRZSA-N 0 1 276.380 3.628 20 0 CHADMN C[C@H]1CCN1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001237337694 1131087103 /nfs/dbraw/zinc/08/71/03/1131087103.db2.gz FGGGPTQJHDEYBI-LBPRGKRZSA-N 0 1 276.380 3.628 20 0 CHADMN Brc1ccncc1CN1CCC2(CCCC2)C1 ZINC001237381202 1131091495 /nfs/dbraw/zinc/09/14/95/1131091495.db2.gz INRODQNCSWEKCQ-UHFFFAOYSA-N 0 1 295.224 3.610 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2cnc(-c3ccccc3)o2)C1 ZINC001237365161 1131092802 /nfs/dbraw/zinc/09/28/02/1131092802.db2.gz JSLLAFGVLNPXRK-JSGCOSHPSA-N 0 1 274.339 3.522 20 0 CHADMN FC(F)(F)[C@@H]1CCN(Cc2cnc(-c3ccccc3)o2)C1 ZINC001237372534 1131092985 /nfs/dbraw/zinc/09/29/85/1131092985.db2.gz DFGULKDIGUQVOW-GFCCVEGCSA-N 0 1 296.292 3.726 20 0 CHADMN Oc1cc(-c2ccc(C(F)F)cn2)c(F)c(F)c1F ZINC001245639291 1131098845 /nfs/dbraw/zinc/09/88/45/1131098845.db2.gz SFRSBJZLERIPGL-UHFFFAOYSA-N 0 1 275.176 3.809 20 0 CHADMN COc1c(F)cc(C)cc1-c1cc(O)c(F)c(F)c1F ZINC001245640161 1131103270 /nfs/dbraw/zinc/10/32/70/1131103270.db2.gz RADPJWLUMUIOGT-UHFFFAOYSA-N 0 1 286.224 3.933 20 0 CHADMN COc1cccc2ccc(-c3c(O)cccc3F)nc21 ZINC001245652294 1131104210 /nfs/dbraw/zinc/10/42/10/1131104210.db2.gz YKSRALOTSZFCHY-UHFFFAOYSA-N 0 1 269.275 3.755 20 0 CHADMN Fc1cccc2c(CN3CCOC[C@@H]3C3CC3)cccc12 ZINC001237519896 1131109383 /nfs/dbraw/zinc/10/93/83/1131109383.db2.gz XGBPTYDZALKOEI-GOSISDBHSA-N 0 1 285.362 3.590 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1cccc2c(F)cccc12 ZINC001237517297 1131109651 /nfs/dbraw/zinc/10/96/51/1131109651.db2.gz FOGDVCAJUNXDKO-GOSISDBHSA-N 0 1 285.362 3.922 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1ccn2nccc2c1 ZINC001237543001 1131112035 /nfs/dbraw/zinc/11/20/35/1131112035.db2.gz QWUBAFPJYNXHOL-AWEZNQCLSA-N 0 1 295.386 3.536 20 0 CHADMN CN(Cc1cccc(-c2ccccc2)n1)C[C@@H]1CCCCO1 ZINC001237545927 1131112121 /nfs/dbraw/zinc/11/21/21/1131112121.db2.gz GVQFHSUJXAGEKS-SFHVURJKSA-N 0 1 296.414 3.750 20 0 CHADMN Cc1ncc(CN2CCCCC23CC3)cc1Br ZINC001237561170 1131113450 /nfs/dbraw/zinc/11/34/50/1131113450.db2.gz JWFZRVVJTRVGCH-UHFFFAOYSA-N 0 1 295.224 3.671 20 0 CHADMN CCCCOc1cc(CN2C[C@H](C)[C@@H]2C)ccc1OC ZINC000816646858 1131118363 /nfs/dbraw/zinc/11/83/63/1131118363.db2.gz JTFQSBMQGUXKIB-KBPBESRZSA-N 0 1 277.408 3.714 20 0 CHADMN CC[C@H](C)Oc1cc(CN2C[C@H](C)[C@H]2C)ccc1OC ZINC000816647315 1131119764 /nfs/dbraw/zinc/11/97/64/1131119764.db2.gz QPQHUTZFEQGXMA-MELADBBJSA-N 0 1 277.408 3.713 20 0 CHADMN Cc1ccnc2cccc(CN3CC[C@@](C)(F)[C@@H](F)C3)c12 ZINC001237627923 1131120755 /nfs/dbraw/zinc/12/07/55/1131120755.db2.gz WVGJEHJFMHBCCD-DOTOQJQBSA-N 0 1 290.357 3.815 20 0 CHADMN CCOc1cc(CN2C[C@H](C)[C@H]2C)ccc1OC(F)F ZINC000816649478 1131121085 /nfs/dbraw/zinc/12/10/85/1131121085.db2.gz ZXAZBJBINDRVFS-WDEREUQCSA-N 0 1 285.334 3.527 20 0 CHADMN O=c1ccc2cc(-c3cc(Cl)c(O)cc3F)ccc2o1 ZINC001245671706 1131123440 /nfs/dbraw/zinc/12/34/40/1131123440.db2.gz KVSXTVQFSNAXER-UHFFFAOYSA-N 0 1 290.677 3.958 20 0 CHADMN CCc1[nH]ncc1C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001237660225 1131125877 /nfs/dbraw/zinc/12/58/77/1131125877.db2.gz XMSWQXLHSAJOLG-ZDUSSCGKSA-N 0 1 289.810 3.615 20 0 CHADMN Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@H](CCO)C2)c1 ZINC001237701775 1131130164 /nfs/dbraw/zinc/13/01/64/1131130164.db2.gz NBZALNXWCQRIHN-CQSZACIVSA-N 0 1 281.827 3.551 20 0 CHADMN Cc1cc(C)c(Cl)c(C[N@H+](C)[C@@H]2CCCOC2)c1 ZINC001237705428 1131131102 /nfs/dbraw/zinc/13/11/02/1131131102.db2.gz OFUIATLPZKDEAW-CQSZACIVSA-N 0 1 267.800 3.568 20 0 CHADMN Cc1cc(C)c(Cl)c(CN(C)[C@@H]2CCCOC2)c1 ZINC001237705428 1131131103 /nfs/dbraw/zinc/13/11/03/1131131103.db2.gz OFUIATLPZKDEAW-CQSZACIVSA-N 0 1 267.800 3.568 20 0 CHADMN CS[C@H]1CC[C@@H](N(C)Cn2ccn(C(C)C)c2=S)C1 ZINC001116151359 1131131180 /nfs/dbraw/zinc/13/11/80/1131131180.db2.gz CCDUGECOPFUBIK-OLZOCXBDSA-N 0 1 299.509 3.773 20 0 CHADMN c1n[nH]c2cccc(Nc3cccc(OC4CC4)c3)c12 ZINC001159575340 1131134231 /nfs/dbraw/zinc/13/42/31/1131134231.db2.gz XIEZSUQRUMLGII-UHFFFAOYSA-N 0 1 265.316 3.848 20 0 CHADMN CCc1cc(CN2CC[C@@]3(CCCO3)C2)ccc1Cl ZINC001237735586 1131134699 /nfs/dbraw/zinc/13/46/99/1131134699.db2.gz JLTBVRXNZSYFQZ-INIZCTEOSA-N 0 1 279.811 3.657 20 0 CHADMN CN(C)c1cc(F)cc(Nc2cccc3[nH]ncc32)c1 ZINC001159575360 1131134703 /nfs/dbraw/zinc/13/47/03/1131134703.db2.gz YTHBOYAMQFZYNT-UHFFFAOYSA-N 0 1 270.311 3.512 20 0 CHADMN CCc1cc(CN2CC[C@H](OC(C)C)C2)ccc1Cl ZINC001237740793 1131136832 /nfs/dbraw/zinc/13/68/32/1131136832.db2.gz XCRCGQJHVVBLJS-HNNXBMFYSA-N 0 1 281.827 3.902 20 0 CHADMN CC[N@@H+](Cc1cccc(OC)c1)Cc1ccc(F)c(C)n1 ZINC001237822982 1131144519 /nfs/dbraw/zinc/14/45/19/1131144519.db2.gz XRNOKRIANFHXQR-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1ccc(F)c(C)n1 ZINC001237822982 1131144522 /nfs/dbraw/zinc/14/45/22/1131144522.db2.gz XRNOKRIANFHXQR-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN Cc1nc(C[N@H+](C)[C@@H]2CCc3ccccc32)ccc1F ZINC001237819435 1131144613 /nfs/dbraw/zinc/14/46/13/1131144613.db2.gz ADCYGMXGKXRADG-QGZVFWFLSA-N 0 1 270.351 3.648 20 0 CHADMN Cc1nc(CN(C)[C@@H]2CCc3ccccc32)ccc1F ZINC001237819435 1131144615 /nfs/dbraw/zinc/14/46/15/1131144615.db2.gz ADCYGMXGKXRADG-QGZVFWFLSA-N 0 1 270.351 3.648 20 0 CHADMN COc1cccc(CN2C3CCC2CC3)c1Br ZINC001237859790 1131145054 /nfs/dbraw/zinc/14/50/54/1131145054.db2.gz ALTGWQDWQDIEAO-UHFFFAOYSA-N 0 1 296.208 3.585 20 0 CHADMN CCCCN(C)Cc1cccc(OC)c1Br ZINC001237863579 1131145244 /nfs/dbraw/zinc/14/52/44/1131145244.db2.gz WKEQXMGFYJHQON-UHFFFAOYSA-N 0 1 286.213 3.690 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2Cc2ccccc2Cl)[nH]n1 ZINC001116440498 1131145388 /nfs/dbraw/zinc/14/53/88/1131145388.db2.gz KEASNKXVCSZAQY-OAHLLOKOSA-N 0 1 289.810 3.579 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CC[C@@H](C)C[C@@H]1C ZINC001237875229 1131146922 /nfs/dbraw/zinc/14/69/22/1131146922.db2.gz PETFPYRORVPFOB-OLZOCXBDSA-N 0 1 287.407 3.639 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC001237874611 1131147025 /nfs/dbraw/zinc/14/70/25/1131147025.db2.gz HHMXYQPZNFGFTA-OLZOCXBDSA-N 0 1 287.407 3.639 20 0 CHADMN CCOc1cc(F)cc(CN(CC)Cc2cccnc2)c1 ZINC001237917607 1131151704 /nfs/dbraw/zinc/15/17/04/1131151704.db2.gz VVTJRZVCJSWNST-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN Cc1cc(Cl)ccc1OC(=O)[C@@H]1CC[C@H]2CCCCN21 ZINC001135911383 1131158455 /nfs/dbraw/zinc/15/84/55/1131158455.db2.gz GAJKOFMOVZJTKS-KGLIPLIRSA-N 0 1 293.794 3.571 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cc1Cl ZINC001237984063 1131158644 /nfs/dbraw/zinc/15/86/44/1131158644.db2.gz LGYYVFJFDOLWEQ-NEPJUHHUSA-N 0 1 283.774 3.807 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)Nc1nc(C(C)C)n[nH]1 ZINC001116703752 1131160446 /nfs/dbraw/zinc/16/04/46/1131160446.db2.gz WQQNFNDGXCKUAE-HNNXBMFYSA-N 0 1 280.416 3.863 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001116703752 1131160450 /nfs/dbraw/zinc/16/04/50/1131160450.db2.gz WQQNFNDGXCKUAE-HNNXBMFYSA-N 0 1 280.416 3.863 20 0 CHADMN CCCC1CCN(Cc2cc(C3CC3)cnc2OC)CC1 ZINC001238025392 1131163292 /nfs/dbraw/zinc/16/32/92/1131163292.db2.gz FPGJLAINBQJYES-UHFFFAOYSA-N 0 1 288.435 3.980 20 0 CHADMN CC(C)c1nc(CNC[C@@](C)(O)C2CCCCC2)cs1 ZINC001116763925 1131163644 /nfs/dbraw/zinc/16/36/44/1131163644.db2.gz SCEKQVONIQBJAL-MRXNPFEDSA-N 0 1 296.480 3.687 20 0 CHADMN CCOC(=O)c1c(Cl)cccc1CN1CCC[C@@H]1CC ZINC001238045136 1131165078 /nfs/dbraw/zinc/16/50/78/1131165078.db2.gz TUKYERBFHHLMSL-ZDUSSCGKSA-N 0 1 295.810 3.891 20 0 CHADMN Cc1cc(Oc2ccccc2)ccc1CN1CCN(C)CC1 ZINC001238061312 1131166156 /nfs/dbraw/zinc/16/61/56/1131166156.db2.gz HXNHUKRWFUNUHJ-UHFFFAOYSA-N 0 1 296.414 3.535 20 0 CHADMN Cc1ccc(Cl)c(CN2CC[C@@H](C)[C@](C)(O)CC2)c1F ZINC001138030534 1131166897 /nfs/dbraw/zinc/16/68/97/1131166897.db2.gz JHFKPSNAPRHGMJ-MLGOLLRUSA-N 0 1 299.817 3.770 20 0 CHADMN CC(C)c1nc(CNC[C@@H](CO)CC2CCCC2)cs1 ZINC001116914248 1131169612 /nfs/dbraw/zinc/16/96/12/1131169612.db2.gz UTQHPNHGJKGGDM-AWEZNQCLSA-N 0 1 296.480 3.545 20 0 CHADMN Cc1cc(-c2ccc(Cl)nc2C)cc2nc[nH]c21 ZINC001245772732 1131170582 /nfs/dbraw/zinc/17/05/82/1131170582.db2.gz INVKKNGIGAKINR-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(Cl)c([O-])cc1F ZINC001238144585 1131173696 /nfs/dbraw/zinc/17/36/96/1131173696.db2.gz WBXDGWTYMQZXCJ-AOOOYVTPSA-N 0 1 271.763 3.948 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2C)cc1C ZINC001238148238 1131174067 /nfs/dbraw/zinc/17/40/67/1131174067.db2.gz WZTWTIOLRMCUNX-UHFFFAOYSA-N 0 1 297.398 3.942 20 0 CHADMN C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c([O-])cc1F ZINC001238141903 1131174128 /nfs/dbraw/zinc/17/41/28/1131174128.db2.gz ARKSARJCCWVSBI-SECBINFHSA-N 0 1 257.736 3.559 20 0 CHADMN C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c([O-])cc1F ZINC001238141903 1131174133 /nfs/dbraw/zinc/17/41/33/1131174133.db2.gz ARKSARJCCWVSBI-SECBINFHSA-N 0 1 257.736 3.559 20 0 CHADMN Cc1ccc2c(c1)CC[N@H+](Cc1ccc(C(=O)[O-])cc1C)C2 ZINC001238145723 1131174277 /nfs/dbraw/zinc/17/42/77/1131174277.db2.gz HLZWHNRDWWZNAM-UHFFFAOYSA-N 0 1 295.382 3.560 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]1Cc1cc(Cl)c([O-])cc1F ZINC001238155261 1131176475 /nfs/dbraw/zinc/17/64/75/1131176475.db2.gz NMEXZMFBGMLRGV-CYBMUJFWSA-N 0 1 271.763 3.805 20 0 CHADMN COC[C@@H]1CCCN1Cc1cc(Cl)c(Cl)cc1C ZINC001238264227 1131187150 /nfs/dbraw/zinc/18/71/50/1131187150.db2.gz SAVNPICVGPECNW-LBPRGKRZSA-N 0 1 288.218 3.913 20 0 CHADMN Cc1cc(Cl)c(Cl)cc1CN1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001238268594 1131188654 /nfs/dbraw/zinc/18/86/54/1131188654.db2.gz RELOGOQQLDNEIY-CNDDSTCGSA-N 0 1 288.193 3.949 20 0 CHADMN Cc1cc(CN(C)CCc2ccncc2)c(F)cc1Cl ZINC001238309688 1131189962 /nfs/dbraw/zinc/18/99/62/1131189962.db2.gz WBUWNJDALAAHHU-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN CO[C@@H]1CCN(Cc2cccc(F)c2OC(C)C)[C@H](C)C1 ZINC001238336636 1131190853 /nfs/dbraw/zinc/19/08/53/1131190853.db2.gz NEUUNPDBPDSTFJ-UKRRQHHQSA-N 0 1 295.398 3.612 20 0 CHADMN CCN(C)Cc1ccc(OCc2ccccc2)c(F)c1F ZINC001238346848 1131192094 /nfs/dbraw/zinc/19/20/94/1131192094.db2.gz GCBBQBDCPXEUCN-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN Cc1nnc(S[C@@H](C)c2ccc(Br)cc2)[nH]1 ZINC001117709150 1131192527 /nfs/dbraw/zinc/19/25/27/1131192527.db2.gz FLHNDDMWSKGHGS-ZETCQYMHSA-N 0 1 298.209 3.729 20 0 CHADMN Cc1n[nH]c(S[C@@H](C)c2ccc(Br)cc2)n1 ZINC001117709150 1131192533 /nfs/dbraw/zinc/19/25/33/1131192533.db2.gz FLHNDDMWSKGHGS-ZETCQYMHSA-N 0 1 298.209 3.729 20 0 CHADMN CC[C@@H](C)N(C)Cc1ccnc(Br)c1Cl ZINC001238373668 1131194324 /nfs/dbraw/zinc/19/43/24/1131194324.db2.gz LUNFKISEBVAVIM-MRVPVSSYSA-N 0 1 291.620 3.728 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H]3C[C@@H]32)c(Cl)c1 ZINC001238401815 1131195843 /nfs/dbraw/zinc/19/58/43/1131195843.db2.gz DGMKUTKPZFGJIF-ABAIWWIYSA-N 0 1 265.784 3.723 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H](CF)C2)c(Cl)c1 ZINC001238401899 1131195962 /nfs/dbraw/zinc/19/59/62/1131195962.db2.gz FDPQYIHFADQNSE-LBPRGKRZSA-N 0 1 285.790 3.920 20 0 CHADMN CCOc1ccc(CN2CCC(C)(OC)CC2)c(Cl)c1 ZINC001238394819 1131196164 /nfs/dbraw/zinc/19/61/64/1131196164.db2.gz NAJHNMRGEJQMKK-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN Cc1cc(CN2CCC[C@H](C)[C@@H]2C)ncc1Cl ZINC001238419646 1131197389 /nfs/dbraw/zinc/19/73/89/1131197389.db2.gz ZRZYVBVDBURUPS-JQWIXIFHSA-N 0 1 252.789 3.664 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(C)c(Cl)cn2)C1 ZINC001238422656 1131197973 /nfs/dbraw/zinc/19/79/73/1131197973.db2.gz PCEFLQUZYUMUMJ-GFCCVEGCSA-N 0 1 252.789 3.665 20 0 CHADMN CCO[C@@H]1CCCN(Cc2cccc(OC(C)C)c2F)C1 ZINC001238426346 1131198463 /nfs/dbraw/zinc/19/84/63/1131198463.db2.gz FXATYGLYQZLTOF-OAHLLOKOSA-N 0 1 295.398 3.614 20 0 CHADMN Cc1cnc(CN2CCc3c(C)cccc3C2)c(C)c1 ZINC001238428020 1131199093 /nfs/dbraw/zinc/19/90/93/1131199093.db2.gz ZRBUOXIWXMKCRQ-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN CC(C)Oc1cccc(CN2CCC[C@@H]3C[C@@H]32)c1F ZINC001238430942 1131200709 /nfs/dbraw/zinc/20/07/09/1131200709.db2.gz SECRQPTURHLYAU-OCCSQVGLSA-N 0 1 263.356 3.597 20 0 CHADMN CC(C)Oc1ccc(CN2CC[C@]3(CC3(F)F)C2)c(F)c1 ZINC001238451757 1131201496 /nfs/dbraw/zinc/20/14/96/1131201496.db2.gz OLOVGZPWNXLKMA-HNNXBMFYSA-N 0 1 299.336 3.844 20 0 CHADMN CC(C)c1ncc(C(=O)N2CC3(CCCC3)[C@H]2C(C)C)[nH]1 ZINC001117799998 1131201816 /nfs/dbraw/zinc/20/18/16/1131201816.db2.gz GVIHPDGBRWPJBQ-CQSZACIVSA-N 0 1 289.423 3.574 20 0 CHADMN COc1cc(CN2CC(Cc3ccccc3)C2)ccc1F ZINC001117813860 1131202171 /nfs/dbraw/zinc/20/21/71/1131202171.db2.gz FOCHDLQGOREWAR-UHFFFAOYSA-N 0 1 285.362 3.509 20 0 CHADMN COc1cc(CN2CCC[C@@H]2c2ccccc2)cnc1F ZINC001238450644 1131202839 /nfs/dbraw/zinc/20/28/39/1131202839.db2.gz FGUKEEMLYVPIOA-OAHLLOKOSA-N 0 1 286.350 3.566 20 0 CHADMN COC1(C)CCN(Cc2ccc(OC(C)C)cc2F)CC1 ZINC001238446011 1131202998 /nfs/dbraw/zinc/20/29/98/1131202998.db2.gz XQPLHZRVVWKRTC-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN CCN(Cc1ccccc1)Cc1cncc(OC(C)C)c1 ZINC001238464807 1131204045 /nfs/dbraw/zinc/20/40/45/1131204045.db2.gz OUAQXYUKOILRJS-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN COc1cnc(CN2CCCCCCC2)c(Cl)c1 ZINC001238486301 1131206809 /nfs/dbraw/zinc/20/68/09/1131206809.db2.gz BWDVMQUQQOGGGM-UHFFFAOYSA-N 0 1 268.788 3.510 20 0 CHADMN COc1cnc(CN2CCCCC[C@H]2C)c(Cl)c1 ZINC001238486230 1131207040 /nfs/dbraw/zinc/20/70/40/1131207040.db2.gz BCNIQFJITGSCKQ-LLVKDONJSA-N 0 1 268.788 3.508 20 0 CHADMN COc1cnc(CN2CCC[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC001238486878 1131208020 /nfs/dbraw/zinc/20/80/20/1131208020.db2.gz HBPGPAJGOQZKHZ-LRDDRELGSA-N 0 1 294.826 3.898 20 0 CHADMN Cc1ccc(OC(C)C)cc1CN1CCO[C@H](C(C)C)C1 ZINC001238478933 1131208071 /nfs/dbraw/zinc/20/80/71/1131208071.db2.gz CJOPASUZOJAEDZ-SFHVURJKSA-N 0 1 291.435 3.639 20 0 CHADMN Fc1ccc(CN2CC[C@H]3CCCO[C@H]3C2)cc1C1CC1 ZINC001238497478 1131209784 /nfs/dbraw/zinc/20/97/84/1131209784.db2.gz DPZFMJOPOVJFLF-QAPCUYQASA-N 0 1 289.394 3.704 20 0 CHADMN C[N@@H+](Cc1ccc(F)c(C2CC2)c1)Cc1ccccn1 ZINC001238504205 1131210924 /nfs/dbraw/zinc/21/09/24/1131210924.db2.gz RQAWQJATKRZNBC-UHFFFAOYSA-N 0 1 270.351 3.730 20 0 CHADMN CN(Cc1ccc(F)c(C2CC2)c1)Cc1ccccn1 ZINC001238504205 1131210929 /nfs/dbraw/zinc/21/09/29/1131210929.db2.gz RQAWQJATKRZNBC-UHFFFAOYSA-N 0 1 270.351 3.730 20 0 CHADMN Cc1c(Cl)ccc(CN2C[C@@H]3CCCC(=O)[C@H]3C2)c1F ZINC001238521612 1131213730 /nfs/dbraw/zinc/21/37/30/1131213730.db2.gz LOQAGRVKGLVZPZ-AAEUAGOBSA-N 0 1 295.785 3.589 20 0 CHADMN Fc1ccc(CN2CCCOCC2)cc1-c1ccccc1 ZINC001238563095 1131216040 /nfs/dbraw/zinc/21/60/40/1131216040.db2.gz YKSQZIGDBLISEY-UHFFFAOYSA-N 0 1 285.362 3.715 20 0 CHADMN CC(=O)c1ccc(CN2CCC[C@]3(CC3(F)F)C2)cc1 ZINC001118290705 1131217195 /nfs/dbraw/zinc/21/71/95/1131217195.db2.gz IMMRRSFLBYKJCO-HNNXBMFYSA-N 0 1 279.330 3.510 20 0 CHADMN COc1cc(C)cc(F)c1CN1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001238588804 1131220087 /nfs/dbraw/zinc/22/00/87/1131220087.db2.gz OYQGMDNKWVQTIK-YPMHNXCESA-N 0 1 299.336 3.620 20 0 CHADMN Cc1cc(CN2CC3(CSC3)C2)cnc1-c1ccccc1 ZINC001238613921 1131221389 /nfs/dbraw/zinc/22/13/89/1131221389.db2.gz DATQDIWDOKNSOF-UHFFFAOYSA-N 0 1 296.439 3.606 20 0 CHADMN Cc1cc(CN2CC[C@H](F)C(F)(F)CC2)cnc1C1CC1 ZINC001238616160 1131222441 /nfs/dbraw/zinc/22/24/41/1131222441.db2.gz MEQDXUBXULYDST-AWEZNQCLSA-N 0 1 298.352 3.837 20 0 CHADMN Cc1cnc(-c2ccccc2)c(CN2C[C@@H](C)[C@@H](F)C2)c1 ZINC001238619184 1131222470 /nfs/dbraw/zinc/22/24/70/1131222470.db2.gz OFTBUVNATHGGAL-PBHICJAKSA-N 0 1 284.378 3.847 20 0 CHADMN C[C@H](N[C@@H](C)c1cncc(F)c1)c1ccc(Cl)nc1 ZINC000781926198 1131223537 /nfs/dbraw/zinc/22/35/37/1131223537.db2.gz WRFLSHQUMGSPIW-UWVGGRQHSA-N 0 1 279.746 3.681 20 0 CHADMN Clc1cnc(-c2ccccc2)cc1CN1CCCC1 ZINC001238631921 1131224868 /nfs/dbraw/zinc/22/48/68/1131224868.db2.gz OWMQHEXNHOBVEO-UHFFFAOYSA-N 0 1 272.779 3.998 20 0 CHADMN Cc1cnc(-c2ccccc2)c(CN2CC3(CSC3)C2)c1 ZINC001238621184 1131225150 /nfs/dbraw/zinc/22/51/50/1131225150.db2.gz LBDWPUJSGJOLSL-UHFFFAOYSA-N 0 1 296.439 3.606 20 0 CHADMN C[C@@H]1CCN([C@H]2CCc3cccc(Cl)c3C2)C[C@H]1F ZINC001170920220 1131225940 /nfs/dbraw/zinc/22/59/40/1131225940.db2.gz PDDIZAQGPCZMLF-PVXIVEMSSA-N 0 1 281.802 3.877 20 0 CHADMN CCCC[C@H](CC)CN1CCc2cc(Cl)nnc2C1 ZINC000829169342 1131414044 /nfs/dbraw/zinc/41/40/44/1131414044.db2.gz MRWOKFLXDJZRFP-LBPRGKRZSA-N 0 1 281.831 3.705 20 0 CHADMN ClC1(Cl)C[C@@H]1CCN1CCOCC12CCCCC2 ZINC000823221959 1131419015 /nfs/dbraw/zinc/41/90/15/1131419015.db2.gz YCLWXWWWZMOKJM-LBPRGKRZSA-N 0 1 292.250 3.605 20 0 CHADMN CC1CCC(N(C)Cc2ccnc(Cl)c2F)CC1 ZINC000823387394 1131424926 /nfs/dbraw/zinc/42/49/26/1131424926.db2.gz ZHQYFLCKHSMHPJ-UHFFFAOYSA-N 0 1 270.779 3.885 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(C)Cc1cc(F)ncc1F ZINC000823464867 1131427865 /nfs/dbraw/zinc/42/78/65/1131427865.db2.gz NMIUBSJOXJZPLC-HNNXBMFYSA-N 0 1 290.357 3.813 20 0 CHADMN CC[C@@H](C)CN(CC)Cc1ccnc(Cl)c1F ZINC000823477318 1131429047 /nfs/dbraw/zinc/42/90/47/1131429047.db2.gz PXNDGQSYKFJXNB-SNVBAGLBSA-N 0 1 258.768 3.742 20 0 CHADMN Fc1cc(F)c(CN2CC3CCC(CC3)C2)cc1F ZINC001137892256 1131430355 /nfs/dbraw/zinc/43/03/55/1131430355.db2.gz LRHNPKRBJCXAAM-UHFFFAOYSA-N 0 1 269.310 3.726 20 0 CHADMN Cc1ccnc(CN2CCC[C@]2(C)Cc2ccccc2F)n1 ZINC000829764759 1131431862 /nfs/dbraw/zinc/43/18/62/1131431862.db2.gz WKDYYEITIQNUSD-GOSISDBHSA-N 0 1 299.393 3.521 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2cc(C3CC3)nn2C)cc1 ZINC000823614085 1131434484 /nfs/dbraw/zinc/43/44/84/1131434484.db2.gz LBKGVUBEBRREBG-CYBMUJFWSA-N 0 1 299.418 3.547 20 0 CHADMN C[C@H](NCc1cc(C2CC2)nn1C)c1ccc(Cl)s1 ZINC000823624970 1131434574 /nfs/dbraw/zinc/43/45/74/1131434574.db2.gz LQBKIZWGEDVKHT-VIFPVBQESA-N 0 1 295.839 3.863 20 0 CHADMN Cc1[nH]ncc1CN(C)C(=O)c1ccccc1CC(C)(C)C ZINC000823634625 1131435610 /nfs/dbraw/zinc/43/56/10/1131435610.db2.gz MXGUMQDTAOOFOS-UHFFFAOYSA-N 0 1 299.418 3.579 20 0 CHADMN Cn1nc(C2CC2)cc1CNCc1csc2ccccc12 ZINC000823666733 1131436421 /nfs/dbraw/zinc/43/64/21/1131436421.db2.gz QRQASKHABLDFMW-UHFFFAOYSA-N 0 1 297.427 3.802 20 0 CHADMN Cc1ccsc1CNCc1ccnc(Cl)c1F ZINC000823729940 1131440433 /nfs/dbraw/zinc/44/04/33/1131440433.db2.gz OPOHMQKJDWBZHT-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN FC(F)(F)Sc1ccc(CN2CC=CC2)cc1 ZINC001137952217 1131440610 /nfs/dbraw/zinc/44/06/10/1131440610.db2.gz WSMUZZVTHBCQOT-UHFFFAOYSA-N 0 1 259.296 3.670 20 0 CHADMN Clc1cccc2c1CC[C@H](N1Cc3cccnc3C1)C2 ZINC001171032837 1131442646 /nfs/dbraw/zinc/44/26/46/1131442646.db2.gz HPWYGPPYQXVKCF-AWEZNQCLSA-N 0 1 284.790 3.608 20 0 CHADMN CCc1cc(CNCc2cc(Cl)sc2Cl)n[nH]1 ZINC000823860975 1131445030 /nfs/dbraw/zinc/44/50/30/1131445030.db2.gz RNTGUCDWNIPMEU-UHFFFAOYSA-N 0 1 290.219 3.630 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](c1ccccn1)C(C)C ZINC000823882522 1131446345 /nfs/dbraw/zinc/44/63/45/1131446345.db2.gz ONXIBCLSNWLJGI-GOSISDBHSA-N 0 1 284.403 3.886 20 0 CHADMN F[C@H]1CCCN([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171042969 1131451695 /nfs/dbraw/zinc/45/16/95/1131451695.db2.gz BYXWWYHPBWNFSV-STQMWFEESA-N 0 1 267.775 3.631 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccc[nH]1 ZINC000824051164 1131451769 /nfs/dbraw/zinc/45/17/69/1131451769.db2.gz SQZUFSDVNVJZTN-PRHODGIISA-N 0 1 280.293 3.770 20 0 CHADMN Cc1ccc(CN2C[C@H]3CC[C@@H]2CO3)c2ccccc12 ZINC001138018142 1131451800 /nfs/dbraw/zinc/45/18/00/1131451800.db2.gz LPUQGXMWPJXMMZ-HZPDHXFCSA-N 0 1 267.372 3.511 20 0 CHADMN Cc1ccc(Cl)c(CN2CC[C@H]3OCCC[C@H]3C2)c1F ZINC001138031000 1131454998 /nfs/dbraw/zinc/45/49/98/1131454998.db2.gz ZZBONUDEVRHKPT-SWLSCSKDSA-N 0 1 297.801 3.788 20 0 CHADMN Cc1ccc(Cl)c(CN(C)[C@H]2CC[C@H](O)CC2)c1F ZINC001138030330 1131455267 /nfs/dbraw/zinc/45/52/67/1131455267.db2.gz AUTSTNICDWNTIS-HAQNSBGRSA-N 0 1 285.790 3.523 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC[C@@H]2C(C)(C)O)c1F ZINC001138035172 1131456257 /nfs/dbraw/zinc/45/62/57/1131456257.db2.gz KCRRBBYOGUZBQT-CYBMUJFWSA-N 0 1 285.790 3.523 20 0 CHADMN C[C@]1(F)CCN(Cc2ccc(O)c3ccccc23)C[C@@H]1F ZINC001138054661 1131459265 /nfs/dbraw/zinc/45/92/65/1131459265.db2.gz OFHHPUHBBYBESH-IRXDYDNUSA-N 0 1 291.341 3.817 20 0 CHADMN Cc1ccc(Nc2cc(Cl)cc3[nH]ncc32)c(N)c1 ZINC001160340295 1131461897 /nfs/dbraw/zinc/46/18/97/1131461897.db2.gz FKJFPLNGXMKHDA-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN C[C@@H]1CCCN1Cc1cc(F)ccc1C(F)(F)F ZINC001138086659 1131463344 /nfs/dbraw/zinc/46/33/44/1131463344.db2.gz IUUNBUVXXQIYRD-SECBINFHSA-N 0 1 261.262 3.829 20 0 CHADMN O=C1CCN(Cc2ccc3ncccc3c2)[C@H]2CCCC[C@@H]12 ZINC001138103505 1131464115 /nfs/dbraw/zinc/46/41/15/1131464115.db2.gz DXQYXQQORREAFP-AEFFLSMTSA-N 0 1 294.398 3.568 20 0 CHADMN c1nc(CN2CCC(CCCc3ccccc3)CC2)c[nH]1 ZINC001136865201 1131465500 /nfs/dbraw/zinc/46/55/00/1131465500.db2.gz SAROCHVUJANHGD-UHFFFAOYSA-N 0 1 283.419 3.645 20 0 CHADMN CO[C@H]1CCN(Cc2cc3c(cccc3Cl)[nH]2)[C@H](C)C1 ZINC001136864870 1131465997 /nfs/dbraw/zinc/46/59/97/1131465997.db2.gz LCGUNCBIKDZTJM-YPMHNXCESA-N 0 1 292.810 3.821 20 0 CHADMN CN(Cc1cnc[nH]1)Cc1ccccc1Oc1ccccc1 ZINC001136871829 1131469281 /nfs/dbraw/zinc/46/92/81/1131469281.db2.gz LLWYVWLDCFPING-UHFFFAOYSA-N 0 1 293.370 3.834 20 0 CHADMN CC(C)[C@@H]1CN([C@@H]2CCc3c(Cl)cccc3C2)CCO1 ZINC001171056953 1131471118 /nfs/dbraw/zinc/47/11/18/1131471118.db2.gz QFFLDEUICHQRTO-PBHICJAKSA-N 0 1 293.838 3.554 20 0 CHADMN Cn1nc(C2CC2)cc1CN[C@@H]1CCCc2c(F)cccc21 ZINC000824468827 1131471200 /nfs/dbraw/zinc/47/12/00/1131471200.db2.gz OPMWAPCOYCDJEU-QGZVFWFLSA-N 0 1 299.393 3.604 20 0 CHADMN Cc1ccn2c(CN3CCC[C@@H]4CCCC[C@H]43)cnc2c1 ZINC001136890357 1131472193 /nfs/dbraw/zinc/47/21/93/1131472193.db2.gz ZJARWSZAOZDAPW-DOTOQJQBSA-N 0 1 283.419 3.797 20 0 CHADMN c1coc(CN(Cc2c[nH]nc2-c2cccs2)C2CC2)c1 ZINC001138157396 1131473661 /nfs/dbraw/zinc/47/36/61/1131473661.db2.gz FLCONKKWIJKEBX-UHFFFAOYSA-N 0 1 299.399 3.896 20 0 CHADMN F[C@H]1CCCN(Cc2nc3ccccc3s2)CC1 ZINC001136948927 1131487892 /nfs/dbraw/zinc/48/78/92/1131487892.db2.gz TYZJTJMGQVNIPQ-NSHDSACASA-N 0 1 264.369 3.620 20 0 CHADMN CCc1ccc(CN(C)Cc2cnc3c(C)cccn23)cc1 ZINC001136965104 1131489548 /nfs/dbraw/zinc/48/95/48/1131489548.db2.gz DJDGFWKEQFPJMS-UHFFFAOYSA-N 0 1 293.414 3.837 20 0 CHADMN Cc1cc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)cnc1Cl ZINC000824940924 1131490348 /nfs/dbraw/zinc/49/03/48/1131490348.db2.gz FWXIHJRKMSSUTG-LSDHHAIUSA-N 0 1 276.811 3.664 20 0 CHADMN Oc1cc(O)cc(CN2CCCC[C@@H]2c2ccccc2)c1 ZINC001138323992 1131490943 /nfs/dbraw/zinc/49/09/43/1131490943.db2.gz GGQKMDFXYPIDIR-GOSISDBHSA-N 0 1 283.371 3.825 20 0 CHADMN CCc1cccc2c(CN(C)Cc3cccnc3)c[nH]c21 ZINC001138359668 1131494026 /nfs/dbraw/zinc/49/40/26/1131494026.db2.gz FXNOPNYPCTWBEC-UHFFFAOYSA-N 0 1 279.387 3.757 20 0 CHADMN Cc1c2ccccc2[nH]c1CN1C[C@@H](C)C[C@H]1CF ZINC001138397449 1131498702 /nfs/dbraw/zinc/49/87/02/1131498702.db2.gz STGWJTHPALKYNM-AAEUAGOBSA-N 0 1 260.356 3.656 20 0 CHADMN CCCc1ncc(CN[C@H](C)CSC(C)(C)C)o1 ZINC000825085976 1131499101 /nfs/dbraw/zinc/49/91/01/1131499101.db2.gz OIQZBMBIGDMDML-LLVKDONJSA-N 0 1 270.442 3.637 20 0 CHADMN Cc1ccc2[nH]c(CN3CC[C@H](C(F)(F)F)C3)cc2c1 ZINC001138420045 1131502202 /nfs/dbraw/zinc/50/22/02/1131502202.db2.gz LPXPEFREUUCFOZ-LBPRGKRZSA-N 0 1 282.309 3.861 20 0 CHADMN CCN(Cc1cc2cc(C)ccc2[nH]1)Cc1ccccn1 ZINC001138420085 1131502456 /nfs/dbraw/zinc/50/24/56/1131502456.db2.gz NGMDPIZAYBJMGH-UHFFFAOYSA-N 0 1 279.387 3.893 20 0 CHADMN COc1c(F)cc(CN2CCC[C@@](C)(F)CC2)cc1F ZINC001138421151 1131502991 /nfs/dbraw/zinc/50/29/91/1131502991.db2.gz IGAJDEYPGCXEES-OAHLLOKOSA-N 0 1 287.325 3.688 20 0 CHADMN COc1c(F)cc(CN(C)Cc2ccc(C)cc2)cc1F ZINC001138422958 1131503613 /nfs/dbraw/zinc/50/36/13/1131503613.db2.gz CNYWTJHPRKMSKC-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cnc(OC)c(C)c1 ZINC001137008299 1131503755 /nfs/dbraw/zinc/50/37/55/1131503755.db2.gz VJUFXICKHMJIKQ-GOSISDBHSA-N 0 1 296.414 3.908 20 0 CHADMN FC(F)(F)c1c[nH]c(CN2CCC3(CCCC3)CC2)n1 ZINC001137012112 1131506540 /nfs/dbraw/zinc/50/65/40/1131506540.db2.gz RAMWNGFTCWADEE-UHFFFAOYSA-N 0 1 287.329 3.585 20 0 CHADMN CC(C)(C)C[C@@H]1CCN(Cc2coc(C3CC3)n2)C1 ZINC000825321642 1131506945 /nfs/dbraw/zinc/50/69/45/1131506945.db2.gz JSVZHDAYVFFAFR-LBPRGKRZSA-N 0 1 262.397 3.810 20 0 CHADMN CCC[C@@]1(C)CCCN(C(=O)c2cccc(F)c2O)C1 ZINC001137031138 1131510155 /nfs/dbraw/zinc/51/01/55/1131510155.db2.gz DLMXNNPOKGFRSC-INIZCTEOSA-N 0 1 279.355 3.574 20 0 CHADMN CCOCC1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC001138482493 1131511588 /nfs/dbraw/zinc/51/15/88/1131511588.db2.gz APOLJWKFLKJOJQ-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN COc1ccc2[nH]cc(CN(C)Cc3ccccc3F)c2c1 ZINC001138508873 1131514838 /nfs/dbraw/zinc/51/48/38/1131514838.db2.gz ARAPVFKSKCKOFV-UHFFFAOYSA-N 0 1 298.361 3.948 20 0 CHADMN CCCc1ccc(CN2CCOC[C@@H]2C(C)C)s1 ZINC001138525845 1131515103 /nfs/dbraw/zinc/51/51/03/1131515103.db2.gz KZVDKRYWEILINK-OAHLLOKOSA-N 0 1 267.438 3.557 20 0 CHADMN COc1ccc(CN2CCC[C@H](C)C2)cc1C(F)(F)F ZINC001143629034 1131519695 /nfs/dbraw/zinc/51/96/95/1131519695.db2.gz PIEKHBQTUPTWGE-NSHDSACASA-N 0 1 287.325 3.946 20 0 CHADMN Cc1cc(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)c(C)s1 ZINC001138567313 1131521990 /nfs/dbraw/zinc/52/19/90/1131521990.db2.gz APARWALOFPIQJS-CABCVRRESA-N 0 1 277.433 3.699 20 0 CHADMN Cc1ccc(C(F)(F)F)c(CN2CC[C@@]3(CCCO3)C2)c1 ZINC001143672855 1131523530 /nfs/dbraw/zinc/52/35/30/1131523530.db2.gz STUGBGNMFDTEAA-HNNXBMFYSA-N 0 1 299.336 3.769 20 0 CHADMN COc1ccc2c(CN3Cc4ccccc4C3)c[nH]c2c1 ZINC001138586247 1131524305 /nfs/dbraw/zinc/52/43/05/1131524305.db2.gz FEVDXZFFNPVONP-UHFFFAOYSA-N 0 1 278.355 3.692 20 0 CHADMN Cc1cc(C)cc(NC(=O)Nc2c(O)cc(F)cc2F)c1 ZINC001202844842 1131524676 /nfs/dbraw/zinc/52/46/76/1131524676.db2.gz JRYNMCHAZANOBZ-UHFFFAOYSA-N 0 1 292.285 3.931 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@@]3(CCSC3)C2)c1F ZINC001171099233 1131528548 /nfs/dbraw/zinc/52/85/48/1131528548.db2.gz PULQPTAGNOVVDU-MRXNPFEDSA-N 0 1 297.414 3.992 20 0 CHADMN Cc1c(F)cc(F)cc1CN1CC[C@]2(CC2(F)F)C1 ZINC001143764520 1131529438 /nfs/dbraw/zinc/52/94/38/1131529438.db2.gz ROFIFRDFRVZEIM-ZDUSSCGKSA-N 0 1 273.273 3.504 20 0 CHADMN Cc1c(F)cc(F)cc1C[N@@H+]1C[C@@H](C)CC12CC2 ZINC001143768788 1131530966 /nfs/dbraw/zinc/53/09/66/1131530966.db2.gz BMVVZZMKMLZMBJ-JTQLQIEISA-N 0 1 251.320 3.648 20 0 CHADMN CCCn1ncc(CN2Cc3ccccc3[C@H](C)C2)c1C ZINC001138636564 1131531260 /nfs/dbraw/zinc/53/12/60/1131531260.db2.gz GZKQNBQPVMNIOJ-CQSZACIVSA-N 0 1 283.419 3.721 20 0 CHADMN CCCn1ncc(CN(CC)Cc2cccs2)c1C ZINC001138640591 1131532177 /nfs/dbraw/zinc/53/21/77/1131532177.db2.gz YJBJQLPCUQELCO-UHFFFAOYSA-N 0 1 277.437 3.685 20 0 CHADMN CCSc1ncc(CN2CC[C@H](c3ccccc3)C2)cn1 ZINC001138649859 1131532827 /nfs/dbraw/zinc/53/28/27/1131532827.db2.gz LNAKMBTWSHVFDT-INIZCTEOSA-N 0 1 299.443 3.578 20 0 CHADMN CNc1ncccc1CN1CCC[C@H]1c1cccc(F)c1 ZINC001138694202 1131537915 /nfs/dbraw/zinc/53/79/15/1131537915.db2.gz ZOTWTFZPVGGYPR-INIZCTEOSA-N 0 1 285.366 3.600 20 0 CHADMN CNc1ncccc1CN1CCC[C@H]1c1ccc(F)cc1 ZINC001138690303 1131538540 /nfs/dbraw/zinc/53/85/40/1131538540.db2.gz VZXPHAMPECVLTJ-INIZCTEOSA-N 0 1 285.366 3.600 20 0 CHADMN COc1cc(C)c(CN(C)Cc2cccnc2C)c(C)c1C ZINC001138727852 1131542569 /nfs/dbraw/zinc/54/25/69/1131542569.db2.gz UYJBSWQDYLCBDX-UHFFFAOYSA-N 0 1 298.430 3.956 20 0 CHADMN COc1cc(Cl)cc(CN2CC[C@@H](C)C[C@H]2C)c1OC ZINC001138746369 1131544416 /nfs/dbraw/zinc/54/44/16/1131544416.db2.gz ZQURHOLLJZGVIT-VXGBXAGGSA-N 0 1 297.826 3.978 20 0 CHADMN COc1cc(Cl)cc(CN2CCC(C)(C)CC2)c1OC ZINC001138746783 1131544705 /nfs/dbraw/zinc/54/47/05/1131544705.db2.gz NHQPGMZOTUJUTP-UHFFFAOYSA-N 0 1 297.826 3.979 20 0 CHADMN c1cc2cc(CN3CCCC[C@H]3c3cccnc3)cnc2[nH]1 ZINC001138739313 1131544852 /nfs/dbraw/zinc/54/48/52/1131544852.db2.gz NYGQLEYKCISKQV-KRWDZBQOSA-N 0 1 292.386 3.685 20 0 CHADMN CCCCC1CCN(Cc2cccnc2F)CC1 ZINC001138786401 1131548307 /nfs/dbraw/zinc/54/83/07/1131548307.db2.gz JFYFXSKHRSOYJW-UHFFFAOYSA-N 0 1 250.361 3.623 20 0 CHADMN CCN(Cc1ccc(C)c(C)c1)Cc1cccc2ccnn21 ZINC001138807434 1131551381 /nfs/dbraw/zinc/55/13/81/1131551381.db2.gz JFZFIMVMLPCIPL-UHFFFAOYSA-N 0 1 293.414 3.973 20 0 CHADMN Fc1ccc([C@H]2CCCN2Cc2cccc3ccnn32)cc1 ZINC001138804790 1131551494 /nfs/dbraw/zinc/55/14/94/1131551494.db2.gz WKLXZKNRIDHKKM-GOSISDBHSA-N 0 1 295.361 3.811 20 0 CHADMN CN(Cc1ccc2occc2c1)C1CC(F)(F)C1 ZINC001138822517 1131552278 /nfs/dbraw/zinc/55/22/78/1131552278.db2.gz HIKWQIUAUPCCPE-UHFFFAOYSA-N 0 1 251.276 3.662 20 0 CHADMN CCO[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2C)C1 ZINC001143929451 1131552596 /nfs/dbraw/zinc/55/25/96/1131552596.db2.gz LVUXBCAHJWQHQS-CYBMUJFWSA-N 0 1 287.325 3.625 20 0 CHADMN C[C@@]1(c2cccc(F)c2)CCN(Cc2ccc(F)cn2)C1 ZINC000844358235 1131554582 /nfs/dbraw/zinc/55/45/82/1131554582.db2.gz VSMLZXGJEHURTN-QGZVFWFLSA-N 0 1 288.341 3.523 20 0 CHADMN Cc1c(CN2CC[C@@H]3CCO[C@H]3C2)cccc1C(F)(F)F ZINC001143921403 1131554933 /nfs/dbraw/zinc/55/49/33/1131554933.db2.gz ASGHEYPKOGJOJQ-DOMZBBRYSA-N 0 1 299.336 3.625 20 0 CHADMN Cc1c(CN2CC[C@@]3(CCCO3)C2)cccc1C(F)(F)F ZINC001143923487 1131555540 /nfs/dbraw/zinc/55/55/40/1131555540.db2.gz YTQVGVDONFMMRG-HNNXBMFYSA-N 0 1 299.336 3.769 20 0 CHADMN c1ccc2c(c1)cncc2CN[C@@H]1COCc2ccccc21 ZINC001202870035 1131555987 /nfs/dbraw/zinc/55/59/87/1131555987.db2.gz QSEJZCUEPFMPGL-LJQANCHMSA-N 0 1 290.366 3.596 20 0 CHADMN Cn1c2ccccc2c2cc(CN3CC[C@@H](F)C3)ccc21 ZINC001138916800 1131559781 /nfs/dbraw/zinc/55/97/81/1131559781.db2.gz PBYMLVKTRFYDEM-CQSZACIVSA-N 0 1 282.362 3.875 20 0 CHADMN C[C@@H]1CN(Cc2nnc(C(C)(C)C)o2)CCc2ccccc21 ZINC000844424486 1131560878 /nfs/dbraw/zinc/56/08/78/1131560878.db2.gz CKKGRTYTAXNUDL-CYBMUJFWSA-N 0 1 299.418 3.529 20 0 CHADMN COc1ccc(F)c(CN2CCC[C@H](C)[C@@H](C)C2)c1F ZINC001143970048 1131561014 /nfs/dbraw/zinc/56/10/14/1131561014.db2.gz FTZNZRDMPDUBAO-RYUDHWBXSA-N 0 1 283.362 3.841 20 0 CHADMN COc1ccc(F)c(CN(C)[C@H]2CC[C@H](C)CC2)c1F ZINC001143984867 1131561688 /nfs/dbraw/zinc/56/16/88/1131561688.db2.gz NGTYDNARHZTRRQ-HAQNSBGRSA-N 0 1 283.362 3.984 20 0 CHADMN Clc1cnc2[nH]ccc2c1CN1CC2(C1)CCCC2 ZINC001138949659 1131563751 /nfs/dbraw/zinc/56/37/51/1131563751.db2.gz NTEHAMTVRCCEHV-UHFFFAOYSA-N 0 1 275.783 3.544 20 0 CHADMN CC(C)Oc1ccc(Cl)cc1CN(C)C1CC1 ZINC001138957428 1131564421 /nfs/dbraw/zinc/56/44/21/1131564421.db2.gz FBNMKLTZPZODMK-UHFFFAOYSA-N 0 1 253.773 3.721 20 0 CHADMN COc1ccc(F)c(CN2CCC[C@H](C)[C@@H]2C)c1F ZINC001143977676 1131565531 /nfs/dbraw/zinc/56/55/31/1131565531.db2.gz LPXHQQANTPBAHE-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN CCOc1c(F)cc(CN2CCC[C@@H](C)[C@H]2C)cc1F ZINC001144026849 1131574163 /nfs/dbraw/zinc/57/41/63/1131574163.db2.gz QWVDXEXYLIYQAY-VXGBXAGGSA-N 0 1 283.362 3.984 20 0 CHADMN CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C(C)(C)C)C1 ZINC001139049761 1131575521 /nfs/dbraw/zinc/57/55/21/1131575521.db2.gz KHXFRFFVXQYAKR-HZPDHXFCSA-N 0 1 294.483 3.536 20 0 CHADMN CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H](C(C)(C)C)C1 ZINC001139049869 1131575582 /nfs/dbraw/zinc/57/55/82/1131575582.db2.gz LHCXNTVSNOTKRD-MRXNPFEDSA-N 0 1 296.499 3.783 20 0 CHADMN Clc1cc(CN2CCCCC23CC3)cc2c1OCO2 ZINC001139076114 1131580553 /nfs/dbraw/zinc/58/05/53/1131580553.db2.gz FRYQVTUWDJOQMC-UHFFFAOYSA-N 0 1 279.767 3.587 20 0 CHADMN Cc1n[nH]c(C)c1CN1CCC[C@H]1c1ccccc1F ZINC001139099373 1131582534 /nfs/dbraw/zinc/58/25/34/1131582534.db2.gz XTDFOWJCHNHRJX-INIZCTEOSA-N 0 1 273.355 3.503 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1ccc(O)cc1OC ZINC001139143703 1131585167 /nfs/dbraw/zinc/58/51/67/1131585167.db2.gz VHBSKIQBQNBGSZ-UHFFFAOYSA-N 0 1 289.350 3.562 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2cccc3c2ccn3C)no1 ZINC001139156759 1131588267 /nfs/dbraw/zinc/58/82/67/1131588267.db2.gz HQRBFAPIUYFFEB-SFHVURJKSA-N 0 1 295.386 3.812 20 0 CHADMN CCc1cc(CN2CCC[C@](C)(F)C2)cc(CC)c1O ZINC001144139603 1131589400 /nfs/dbraw/zinc/58/94/00/1131589400.db2.gz IRTHYSGVTDVNJH-KRWDZBQOSA-N 0 1 279.399 3.841 20 0 CHADMN C[C@@]1(F)CCCN(Cc2ccc3cccnc3c2)C1 ZINC001139166220 1131590777 /nfs/dbraw/zinc/59/07/77/1131590777.db2.gz LKYLMCZKHPZPOS-MRXNPFEDSA-N 0 1 258.340 3.559 20 0 CHADMN CN(Cc1ccc(Cl)nc1)Cc1ccc2cccnc2c1 ZINC001139168616 1131590793 /nfs/dbraw/zinc/59/07/93/1131590793.db2.gz RXROUWCGZOQKBA-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN CCCCc1nc(Cl)c(CN2CC[C@@H](CC)C2)[nH]1 ZINC001139183386 1131592463 /nfs/dbraw/zinc/59/24/63/1131592463.db2.gz KNTGXKGXMVWZDV-LLVKDONJSA-N 0 1 269.820 3.638 20 0 CHADMN Cc1cccc2[nH]cc(CN3CC4(C3)C[C@H](F)CS4)c21 ZINC001139196934 1131595008 /nfs/dbraw/zinc/59/50/08/1131595008.db2.gz XIZIKRQRNIHDFK-ZDUSSCGKSA-N 0 1 290.407 3.506 20 0 CHADMN Cc1cccc2[nH]cc(CN3CC4(C3)C[C@@H](F)CS4)c21 ZINC001139196933 1131595278 /nfs/dbraw/zinc/59/52/78/1131595278.db2.gz XIZIKRQRNIHDFK-CYBMUJFWSA-N 0 1 290.407 3.506 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1[nH]nc3ccc(F)cc31)C2 ZINC001144200830 1131595980 /nfs/dbraw/zinc/59/59/80/1131595980.db2.gz MXHWYKAUACERFI-UHFFFAOYSA-N 0 1 295.361 3.569 20 0 CHADMN c1cc(C[N@H+]2CCCC3(CCCC3)C2)cc2nsnc12 ZINC001139210734 1131597650 /nfs/dbraw/zinc/59/76/50/1131597650.db2.gz SGVJXSRBGWPIQZ-UHFFFAOYSA-N 0 1 287.432 3.848 20 0 CHADMN CC[N@@H+](Cc1cccs1)Cc1ccc2nsnc2c1 ZINC001139213943 1131597733 /nfs/dbraw/zinc/59/77/33/1131597733.db2.gz GXOCGRICYYWULI-UHFFFAOYSA-N 0 1 289.429 3.775 20 0 CHADMN F[C@@H]1C[C@@H]2C[C@H]1CN2Cc1ccc(Oc2ccccc2)nc1 ZINC001139244924 1131598811 /nfs/dbraw/zinc/59/88/11/1131598811.db2.gz HJJUWDXHSAATKQ-YQQAZPJKSA-N 0 1 298.361 3.806 20 0 CHADMN Cc1cc(OCc2ncccn2)c2c(n1)[C@@H](C(C)C)CCC2 ZINC000844768379 1131599081 /nfs/dbraw/zinc/59/90/81/1131599081.db2.gz BUAMARAGYUZJDU-CQSZACIVSA-N 0 1 297.402 3.835 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3cc(O)ccc3c2)cn1 ZINC001139341374 1131603416 /nfs/dbraw/zinc/60/34/16/1131603416.db2.gz HSQMZGDEQLIDAB-UHFFFAOYSA-N 0 1 292.382 3.881 20 0 CHADMN C[C@@H]1c2cccn2CCN1Cc1ccc(-n2cccc2)cc1 ZINC001144245942 1131605471 /nfs/dbraw/zinc/60/54/71/1131605471.db2.gz MFQATZQAMOXAGZ-MRXNPFEDSA-N 0 1 291.398 3.856 20 0 CHADMN CC(C)[C@H](N)c1noc(/C=C/C2CCCCCC2)n1 ZINC000844906718 1131607545 /nfs/dbraw/zinc/60/75/45/1131607545.db2.gz SHXWFEUSWDMIGP-HBWSCVEGSA-N 0 1 263.385 3.709 20 0 CHADMN Cc1ccc([O-])c(C[NH2+][C@@H](C2CCC2)C2CCCCC2)n1 ZINC001202939888 1131610890 /nfs/dbraw/zinc/61/08/90/1131610890.db2.gz VDPSUOUGRNLXPG-GOSISDBHSA-N 0 1 288.435 3.934 20 0 CHADMN Fc1c(Br)cccc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC001139531575 1131613344 /nfs/dbraw/zinc/61/33/44/1131613344.db2.gz IBYTUHXCKZRNKZ-PHIMTYICSA-N 0 1 298.199 3.820 20 0 CHADMN Cc1cc(CN2[C@@H](C)CCC[C@@H]2C)cnc1Cl ZINC001139542676 1131614368 /nfs/dbraw/zinc/61/43/68/1131614368.db2.gz NHTLRZVVISFIIE-RYUDHWBXSA-N 0 1 252.789 3.806 20 0 CHADMN C[C@]1(F)CCCCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC001139553221 1131615853 /nfs/dbraw/zinc/61/58/53/1131615853.db2.gz PEMGRCUOLXVSJL-KRWDZBQOSA-N 0 1 287.382 3.791 20 0 CHADMN Fc1ccccc1[C@@H]1CCN(Cc2cc(Cl)ccn2)C1 ZINC001139563567 1131616691 /nfs/dbraw/zinc/61/66/91/1131616691.db2.gz KZOFCBWNXSEKEM-GFCCVEGCSA-N 0 1 290.769 3.864 20 0 CHADMN CCCCC1CCN(Cc2cc[nH]c2C(=O)OCC)CC1 ZINC001144331232 1131618608 /nfs/dbraw/zinc/61/86/08/1131618608.db2.gz YGRXELNSXAHTEY-UHFFFAOYSA-N 0 1 292.423 3.594 20 0 CHADMN CCOc1ccc(C)cc1CN1CCC(F)(F)[C@@H](C)C1 ZINC001139600662 1131620186 /nfs/dbraw/zinc/62/01/86/1131620186.db2.gz SEBOBQNNEKYNCT-ZDUSSCGKSA-N 0 1 283.362 3.871 20 0 CHADMN CCOc1ccc(CN2CC[C@H](OC)C[C@@H]2C)cc1Cl ZINC001139598706 1131620202 /nfs/dbraw/zinc/62/02/02/1131620202.db2.gz WCKCVDDMEHBAAE-JSGCOSHPSA-N 0 1 297.826 3.738 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](C)Cc1cnccc1OC ZINC001139610634 1131621939 /nfs/dbraw/zinc/62/19/39/1131621939.db2.gz ROHQGGVAOYGJKE-MRXNPFEDSA-N 0 1 270.376 3.673 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1cnccc1OC ZINC001139610634 1131621942 /nfs/dbraw/zinc/62/19/42/1131621942.db2.gz ROHQGGVAOYGJKE-MRXNPFEDSA-N 0 1 270.376 3.673 20 0 CHADMN COc1ccc(CN2C[C@@H](C)C[C@H]2CF)cc1C(C)C ZINC001139615248 1131622934 /nfs/dbraw/zinc/62/29/34/1131622934.db2.gz OJGRVTVMSXBBAY-ZFWWWQNUSA-N 0 1 279.399 3.999 20 0 CHADMN Oc1ccc(CN2CCC23CCCC3)c(C(F)(F)F)c1 ZINC001144380634 1131623089 /nfs/dbraw/zinc/62/30/89/1131623089.db2.gz KMRHCPDVPUHVNB-UHFFFAOYSA-N 0 1 285.309 3.930 20 0 CHADMN C[C@]1(F)CCCN(Cc2c[nH]c3nc(Cl)ccc23)C1 ZINC001144410259 1131626270 /nfs/dbraw/zinc/62/62/70/1131626270.db2.gz JACCSOXPAFFHQP-AWEZNQCLSA-N 0 1 281.762 3.540 20 0 CHADMN Cc1nc2cc(C)ccn2c1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001139675562 1131627830 /nfs/dbraw/zinc/62/78/30/1131627830.db2.gz VALIJOVJRODZNT-JKSUJKDBSA-N 0 1 283.419 3.573 20 0 CHADMN Cc1nc2cc(C)ccn2c1C[N@H+]1CCc2ccccc2C1 ZINC001139674509 1131627934 /nfs/dbraw/zinc/62/79/34/1131627934.db2.gz UEGXGXFDVVYGBP-UHFFFAOYSA-N 0 1 291.398 3.509 20 0 CHADMN Cc1nc2cc(C)ccn2c1CN1CCc2ccccc2C1 ZINC001139674509 1131627937 /nfs/dbraw/zinc/62/79/37/1131627937.db2.gz UEGXGXFDVVYGBP-UHFFFAOYSA-N 0 1 291.398 3.509 20 0 CHADMN COC(CN(C)Cc1ccc2oc3ccccc3c2c1)OC ZINC001139755035 1131635222 /nfs/dbraw/zinc/63/52/22/1131635222.db2.gz UGXDCGMLDVSCOG-UHFFFAOYSA-N 0 1 299.370 3.637 20 0 CHADMN COc1ncc(CN(Cc2ccccc2)C2CCC2)s1 ZINC001139817819 1131638663 /nfs/dbraw/zinc/63/86/63/1131638663.db2.gz HSQAMSODBDCMBU-UHFFFAOYSA-N 0 1 288.416 3.706 20 0 CHADMN COc1ncc(CN2CCC[C@@H]2c2ccc(C)cc2)s1 ZINC001139817304 1131639049 /nfs/dbraw/zinc/63/90/49/1131639049.db2.gz HMQPQVMAVKMQJP-OAHLLOKOSA-N 0 1 288.416 3.797 20 0 CHADMN Cn1c(CN2CCC[C@H]3CCC[C@H]32)cc2ccccc21 ZINC001139871623 1131644107 /nfs/dbraw/zinc/64/41/07/1131644107.db2.gz IMKQWBYXASBTNF-RDTXWAMCSA-N 0 1 268.404 3.943 20 0 CHADMN CN(Cc1cccc2c1OCO2)Cc1ccccc1C1CC1 ZINC001139883920 1131646775 /nfs/dbraw/zinc/64/67/75/1131646775.db2.gz NMRAYWJRKBCWNP-UHFFFAOYSA-N 0 1 295.382 3.925 20 0 CHADMN CC(C)[C@H]1CN(Cc2ccc(F)c3ccccc23)CCO1 ZINC001139892509 1131649308 /nfs/dbraw/zinc/64/93/08/1131649308.db2.gz RZYWDPGJTREQNB-GOSISDBHSA-N 0 1 287.378 3.836 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCC[C@]2(CC2(F)F)C1 ZINC000845741835 1131654579 /nfs/dbraw/zinc/65/45/79/1131654579.db2.gz HLEWPPRZPYCVBQ-HNNXBMFYSA-N 0 1 292.304 4.000 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1cnc(Cl)nc1 ZINC001139991191 1131655232 /nfs/dbraw/zinc/65/52/32/1131655232.db2.gz HFOFHCQHKOXYLW-AWEZNQCLSA-N 0 1 275.783 3.713 20 0 CHADMN Cc1ccnc(NCCC[C@H]2CC2(Cl)Cl)c1 ZINC000845745730 1131655417 /nfs/dbraw/zinc/65/54/17/1131655417.db2.gz VABFUHZBPLQVLV-JTQLQIEISA-N 0 1 259.180 3.776 20 0 CHADMN Oc1ccc(F)c(CN2CCC(c3ccccc3)CC2)c1 ZINC001140045259 1131658226 /nfs/dbraw/zinc/65/82/26/1131658226.db2.gz FMTLMZFPZAUNEU-UHFFFAOYSA-N 0 1 285.362 3.911 20 0 CHADMN CSc1nccc(CN(Cc2ccccc2)C(C)C)n1 ZINC001140033039 1131658549 /nfs/dbraw/zinc/65/85/49/1131658549.db2.gz OFMXNRLDCZWDME-UHFFFAOYSA-N 0 1 287.432 3.609 20 0 CHADMN CSc1nccc(CN2CCCC[C@H]2c2ccccc2)n1 ZINC001140032627 1131659039 /nfs/dbraw/zinc/65/90/39/1131659039.db2.gz GIHLVBDXJBGKAM-INIZCTEOSA-N 0 1 299.443 3.926 20 0 CHADMN COc1c(Cl)cccc1CN1CCC(SC)CC1 ZINC001140066996 1131660936 /nfs/dbraw/zinc/66/09/36/1131660936.db2.gz AZDVVGOLEORLCK-UHFFFAOYSA-N 0 1 285.840 3.676 20 0 CHADMN Cc1ccccc1CN(C)Cc1ccc(O)cc1Cl ZINC001140086074 1131662753 /nfs/dbraw/zinc/66/27/53/1131662753.db2.gz KDVPOXLMHITQHL-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN FC(F)(F)c1ccnc(CN2CCC[C@@H]3CCC[C@H]32)c1 ZINC001140107683 1131664504 /nfs/dbraw/zinc/66/45/04/1131664504.db2.gz BFJQALPLYCZEQA-SMDDNHRTSA-N 0 1 284.325 3.865 20 0 CHADMN O=C1CCN(Cc2cccc3cnccc32)[C@@H]2CCCC[C@H]12 ZINC001140140807 1131666882 /nfs/dbraw/zinc/66/68/82/1131666882.db2.gz LRTOXFLTWMJVBH-ZWKOTPCHSA-N 0 1 294.398 3.568 20 0 CHADMN CN(CCc1ccccc1Cl)Cc1ncn2ccccc12 ZINC001144624277 1131667180 /nfs/dbraw/zinc/66/71/80/1131667180.db2.gz BYPSQDFKFILAJD-UHFFFAOYSA-N 0 1 299.805 3.662 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1ncn2ccccc12 ZINC001144625468 1131668201 /nfs/dbraw/zinc/66/82/01/1131668201.db2.gz NAQZUDXUCBSPGU-GOSISDBHSA-N 0 1 291.398 3.844 20 0 CHADMN CCN(Cc1ncn2ccccc12)Cc1ccc(C)c(C)c1 ZINC001144627919 1131671010 /nfs/dbraw/zinc/67/10/10/1131671010.db2.gz ZZINXOVEIIBTGP-UHFFFAOYSA-N 0 1 293.414 3.973 20 0 CHADMN CCCN(CCC)c1ccc(NCc2cc[nH]n2)cc1 ZINC000846058854 1131679063 /nfs/dbraw/zinc/67/90/63/1131679063.db2.gz RPVKGHMDQYXZLI-UHFFFAOYSA-N 0 1 272.396 3.648 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1sccc1C(=O)[O-] ZINC001144678377 1131681033 /nfs/dbraw/zinc/68/10/33/1131681033.db2.gz YGKMSULMWVVMOX-LLVKDONJSA-N 0 1 267.394 3.601 20 0 CHADMN C[C@@]1(CC[NH2+]Cc2cccc([O-])c2Cl)C[C@]1(F)Cl ZINC000846035979 1131681951 /nfs/dbraw/zinc/68/19/51/1131681951.db2.gz KRYODZMDDUPJRB-CHWSQXEVSA-N 0 1 292.181 3.840 20 0 CHADMN CC(C)(C)CCCCCC(=O)Nc1ccc2[nH]nnc2c1 ZINC001144681752 1131682295 /nfs/dbraw/zinc/68/22/95/1131682295.db2.gz CQMLTQYGUQGCHP-UHFFFAOYSA-N 0 1 288.395 3.893 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCCc3nc(C)ncc32)cs1 ZINC000834588389 1131685773 /nfs/dbraw/zinc/68/57/73/1131685773.db2.gz BEYYCBSKNZDYIE-IAQYHMDHSA-N 0 1 287.432 3.883 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)ccc1F ZINC000846110060 1131687768 /nfs/dbraw/zinc/68/77/68/1131687768.db2.gz YTDCSJGBACPRIQ-CQSZACIVSA-N 0 1 269.310 3.755 20 0 CHADMN [O-]c1cnccc1C[N@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001140280004 1131687767 /nfs/dbraw/zinc/68/77/67/1131687767.db2.gz YUJUVUUXRXSBNH-KRWDZBQOSA-N 0 1 296.414 3.632 20 0 CHADMN c1csc([C@H]2CCCN2Cc2cccc3cc[nH]c32)n1 ZINC001144717531 1131689500 /nfs/dbraw/zinc/68/95/00/1131689500.db2.gz VZJLCODTPFCLHL-CQSZACIVSA-N 0 1 283.400 3.962 20 0 CHADMN Cc1cccc2c1C[N@@H+](Cc1cccc3cc[nH]c31)C2 ZINC001144709871 1131690900 /nfs/dbraw/zinc/69/09/00/1131690900.db2.gz JPKRTLKKHUJUHE-UHFFFAOYSA-N 0 1 262.356 3.992 20 0 CHADMN C[C@H]1CN(Cc2ccccc2-c2cccnc2)CCCC1=O ZINC001140314379 1131694599 /nfs/dbraw/zinc/69/45/99/1131694599.db2.gz WFIQHGUCCVBKRE-HNNXBMFYSA-N 0 1 294.398 3.550 20 0 CHADMN c1ccc(-c2cccnc2)c(CN2CCCCC23COC3)c1 ZINC001140317220 1131695397 /nfs/dbraw/zinc/69/53/97/1131695397.db2.gz IRNGNDLRSAVOHU-UHFFFAOYSA-N 0 1 294.398 3.504 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1ccccc1-c1cccnc1 ZINC001140320341 1131696231 /nfs/dbraw/zinc/69/62/31/1131696231.db2.gz JOFOQYCOXBSMBL-LJQANCHMSA-N 0 1 294.398 3.692 20 0 CHADMN CC1(C)CN(Cc2ccccc2-c2cccnc2)CCC1=O ZINC001140321259 1131696451 /nfs/dbraw/zinc/69/64/51/1131696451.db2.gz YYUVPNDIGBQOCA-UHFFFAOYSA-N 0 1 294.398 3.550 20 0 CHADMN Cc1ccc2n[nH]c(CN3Cc4ccccc4[C@H](C)C3)c2c1 ZINC001140329482 1131698633 /nfs/dbraw/zinc/69/86/33/1131698633.db2.gz YDFOSYQNKYVKMB-CQSZACIVSA-N 0 1 291.398 3.991 20 0 CHADMN Cc1ccc2[nH]nc(CN3Cc4ccccc4[C@H](C)C3)c2c1 ZINC001140329482 1131698636 /nfs/dbraw/zinc/69/86/36/1131698636.db2.gz YDFOSYQNKYVKMB-CQSZACIVSA-N 0 1 291.398 3.991 20 0 CHADMN FC(F)C1CCN(Cc2ccc3scnc3c2)CC1 ZINC001144739003 1131698806 /nfs/dbraw/zinc/69/88/06/1131698806.db2.gz OUHFRTSROFIJEQ-UHFFFAOYSA-N 0 1 282.359 3.773 20 0 CHADMN Cc1ccc2[nH]nc(CN3CCC[C@@H]4CCC[C@H]43)c2c1 ZINC001140330032 1131699188 /nfs/dbraw/zinc/69/91/88/1131699188.db2.gz JPEMPWZQPZLEMH-SUMWQHHRSA-N 0 1 269.392 3.636 20 0 CHADMN Cc1ccc2n[nH]c(C[N@H+](C)Cc3ccccc3C)c2c1 ZINC001140330457 1131700151 /nfs/dbraw/zinc/70/01/51/1131700151.db2.gz AVVWNMMGPUHMQS-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN Cc1ccc2n[nH]c(CN(C)Cc3cccs3)c2c1 ZINC001140331046 1131700555 /nfs/dbraw/zinc/70/05/55/1131700555.db2.gz UNDYADCBIQSYFL-UHFFFAOYSA-N 0 1 271.389 3.565 20 0 CHADMN CC[C@H](Nc1ccc(CN(C)C)c(F)c1)c1ccncc1 ZINC000834756107 1131702514 /nfs/dbraw/zinc/70/25/14/1131702514.db2.gz KFESNSNIOMIMFP-KRWDZBQOSA-N 0 1 287.382 3.846 20 0 CHADMN CCCC[N@@H+](C/C=C(/C)C(=O)[O-])Cc1ccccc1Cl ZINC000846243394 1131702663 /nfs/dbraw/zinc/70/26/63/1131702663.db2.gz ALZQGXFZFRMWST-LCYFTJDESA-N 0 1 295.810 3.973 20 0 CHADMN c1ccc(CCCC2CCN(Cc3ccncn3)CC2)cc1 ZINC001140345047 1131704829 /nfs/dbraw/zinc/70/48/29/1131704829.db2.gz GTOGRGOGCDLSSL-UHFFFAOYSA-N 0 1 295.430 3.712 20 0 CHADMN CC(C)Cc1ccc(C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000846275535 1131705650 /nfs/dbraw/zinc/70/56/50/1131705650.db2.gz ILGAGFAHHXYYJQ-CQSZACIVSA-N 0 1 289.419 3.570 20 0 CHADMN C[N@@H+](Cc1sc(N2CCCC2)nc1Cl)C(C)(C)C ZINC001140365559 1131706461 /nfs/dbraw/zinc/70/64/61/1131706461.db2.gz XOJGSEUTSSOJEY-UHFFFAOYSA-N 0 1 287.860 3.627 20 0 CHADMN CN(Cc1sc(N2CCCC2)nc1Cl)C(C)(C)C ZINC001140365559 1131706464 /nfs/dbraw/zinc/70/64/64/1131706464.db2.gz XOJGSEUTSSOJEY-UHFFFAOYSA-N 0 1 287.860 3.627 20 0 CHADMN Cc1ccc([C@H](N[C@@H]2CCn3ccnc32)C2CCC2)cc1 ZINC000834832527 1131708494 /nfs/dbraw/zinc/70/84/94/1131708494.db2.gz PSNCRIYKFBDTNT-IAGOWNOFSA-N 0 1 281.403 3.767 20 0 CHADMN O=C(Nc1ccc2c(c1)CCCCC2)c1cn[nH]c1C1CC1 ZINC000846481217 1131710782 /nfs/dbraw/zinc/71/07/82/1131710782.db2.gz HKWRZWWWGUXLMM-UHFFFAOYSA-N 0 1 295.386 3.808 20 0 CHADMN Fc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c(Br)c1 ZINC000042350675 1131716281 /nfs/dbraw/zinc/71/62/81/1131716281.db2.gz YHUXPBAOUWFQNO-JOYOIKCWSA-N 0 1 284.172 3.573 20 0 CHADMN Fc1ccc(CN2C[C@H]3CC[C@@H]2C3)c(Br)c1 ZINC000042350675 1131716284 /nfs/dbraw/zinc/71/62/84/1131716284.db2.gz YHUXPBAOUWFQNO-JOYOIKCWSA-N 0 1 284.172 3.573 20 0 CHADMN CC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1ccc2c(c1)CCO2 ZINC000834895752 1131720091 /nfs/dbraw/zinc/72/00/91/1131720091.db2.gz DUXQHLTUDDWAKO-KCXAZCMYSA-N 0 1 297.402 3.565 20 0 CHADMN CCc1nc(CN[C@H]2C[C@H](c3ccccc3)C2(C)C)co1 ZINC000834897770 1131721589 /nfs/dbraw/zinc/72/15/89/1131721589.db2.gz IFWJXMFSCLHVAE-CVEARBPZSA-N 0 1 284.403 3.909 20 0 CHADMN CCC(C)(C)OCCN[C@@H](C)c1cccnc1Cl ZINC000834915268 1131733772 /nfs/dbraw/zinc/73/37/72/1131733772.db2.gz QUXIAQNTBSQPQF-NSHDSACASA-N 0 1 270.804 3.591 20 0 CHADMN Fc1cc(CN2CC[C@@H](c3ccccc3)C2)cnc1Cl ZINC000846790991 1131735333 /nfs/dbraw/zinc/73/53/33/1131735333.db2.gz NZKKWQGICSWLOE-CQSZACIVSA-N 0 1 290.769 3.864 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1cnc(Cl)c(F)c1 ZINC000846840937 1131748780 /nfs/dbraw/zinc/74/87/80/1131748780.db2.gz KBPXDBJCGOOYFG-MWLCHTKSSA-N 0 1 256.752 3.637 20 0 CHADMN Clc1ccc(C2(NCc3ccc4nonc4c3)CC2)cc1 ZINC000846843471 1131748931 /nfs/dbraw/zinc/74/89/31/1131748931.db2.gz DKVXCWVINBUBAB-UHFFFAOYSA-N 0 1 299.761 3.655 20 0 CHADMN COc1cc(F)cc(CN2CCC3(CC(F)(F)C3)CC2)c1 ZINC001140477898 1131758447 /nfs/dbraw/zinc/75/84/47/1131758447.db2.gz SZKOSMLIMGACEL-UHFFFAOYSA-N 0 1 299.336 3.846 20 0 CHADMN COc1cc(CN2CC[C@](C)(C(F)(F)F)C2)ccc1F ZINC001330639149 1131762364 /nfs/dbraw/zinc/76/23/64/1131762364.db2.gz RIMHKXKOODRWOE-ZDUSSCGKSA-N 0 1 291.288 3.609 20 0 CHADMN CC(=O)C1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000846952690 1131764345 /nfs/dbraw/zinc/76/43/45/1131764345.db2.gz HSRFGXSRYHGUSL-LLVKDONJSA-N 0 1 265.784 3.702 20 0 CHADMN OCC1([C@H](NCc2ccoc2)c2ccccc2)CCCC1 ZINC000835066814 1131767998 /nfs/dbraw/zinc/76/79/98/1131767998.db2.gz UTMHQLRQABKFMM-QGZVFWFLSA-N 0 1 285.387 3.663 20 0 CHADMN CC(C)(C)N1CC(Oc2ccccc2-c2ccccc2O)C1 ZINC001228048327 1131796811 /nfs/dbraw/zinc/79/68/11/1131796811.db2.gz CWAGXJSTKWEWIE-UHFFFAOYSA-N 0 1 297.398 3.921 20 0 CHADMN Cc1cc(CN2CCSc3ccccc3C2)ccc1O ZINC001140576063 1131801114 /nfs/dbraw/zinc/80/11/14/1131801114.db2.gz JDIYOVBVNBTWBU-UHFFFAOYSA-N 0 1 285.412 3.809 20 0 CHADMN Cc1cc2cc[nH]c2c(N[C@@H]2COCc3ccccc32)n1 ZINC001171289174 1131801638 /nfs/dbraw/zinc/80/16/38/1131801638.db2.gz BDIUPUKQQSFLKR-OAHLLOKOSA-N 0 1 279.343 3.555 20 0 CHADMN Cc1c(Cl)cc(NC(=O)c2cc[nH]c2)c(O)c1Cl ZINC001146888242 1131802228 /nfs/dbraw/zinc/80/22/28/1131802228.db2.gz IBYGDMOSCXHAAU-UHFFFAOYSA-N 0 1 285.130 3.588 20 0 CHADMN CCC(C)(C)[C@H](C)NC(=O)c1ccc(Cl)c(O)c1 ZINC001147125934 1131808441 /nfs/dbraw/zinc/80/84/41/1131808441.db2.gz ISHYWNMOPBBECZ-VIFPVBQESA-N 0 1 269.772 3.600 20 0 CHADMN O=C(N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1)C(F)(F)F ZINC000839831361 1131812822 /nfs/dbraw/zinc/81/28/22/1131812822.db2.gz UFAXIFSUWNORLR-ONGXEEELSA-N 0 1 291.700 3.655 20 0 CHADMN Cc1ccc(F)cc1CN1CCN(C)C[C@@H]1c1ccccc1 ZINC001140588641 1131814255 /nfs/dbraw/zinc/81/42/55/1131814255.db2.gz ZYHLMCSZTRCLAY-LJQANCHMSA-N 0 1 298.405 3.623 20 0 CHADMN Cc1ccc(N2CCN(Cc3cc(F)ccc3C)CC2)cc1 ZINC001140588463 1131814414 /nfs/dbraw/zinc/81/44/14/1131814414.db2.gz POLASCRWPNAIFT-UHFFFAOYSA-N 0 1 298.405 3.765 20 0 CHADMN Cc1ccc(F)cc1CN(C)CCC(=O)c1cccs1 ZINC001140592422 1131815666 /nfs/dbraw/zinc/81/56/66/1131815666.db2.gz LDLPZRCZPZWITN-UHFFFAOYSA-N 0 1 291.391 3.900 20 0 CHADMN COc1cccc(NC(=O)c2ccc(O)c(Cl)c2)c1C ZINC001147364816 1131819846 /nfs/dbraw/zinc/81/98/46/1131819846.db2.gz OXRMGMPIBOPHLV-UHFFFAOYSA-N 0 1 291.734 3.615 20 0 CHADMN COc1ccc(Cl)c2c1C[C@H](N1CC(C)(C)C1)CC2 ZINC001171315395 1131836781 /nfs/dbraw/zinc/83/67/81/1131836781.db2.gz IILIRAPIVNMDOA-LLVKDONJSA-N 0 1 279.811 3.548 20 0 CHADMN CC(=O)c1c(O[C@H]2CCCN(C)C2)ccc2ccccc21 ZINC001228247608 1131837832 /nfs/dbraw/zinc/83/78/32/1131837832.db2.gz GMPYFIWVCZCAMA-HNNXBMFYSA-N 0 1 283.371 3.515 20 0 CHADMN Fc1cccc2c1CCN(Cc1cccc3ccncc31)C2 ZINC001140644625 1131842460 /nfs/dbraw/zinc/84/24/60/1131842460.db2.gz VLEVKYGQZXCDRM-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN Fc1ccc2c(c1)C[N@H+](Cc1cccc3ccncc31)CC2 ZINC001140643582 1131842989 /nfs/dbraw/zinc/84/29/89/1131842989.db2.gz COJWAKRIODCWPX-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN Fc1ccc2c(c1)CN(Cc1cccc3ccncc31)CC2 ZINC001140643582 1131842995 /nfs/dbraw/zinc/84/29/95/1131842995.db2.gz COJWAKRIODCWPX-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN CCCC(=O)[C@@H](CCC)Oc1ccc2nc(C)[nH]c2c1 ZINC001228325623 1131859845 /nfs/dbraw/zinc/85/98/45/1131859845.db2.gz BPJNLGOHRCNROW-MRXNPFEDSA-N 0 1 274.364 3.788 20 0 CHADMN COc1ccc(Cl)c2c1C[C@@H](N1CCC[C@@H]1CF)CC2 ZINC001171334282 1131866306 /nfs/dbraw/zinc/86/63/06/1131866306.db2.gz QKMSOVUUTWRBSI-NWDGAFQWSA-N 0 1 297.801 3.640 20 0 CHADMN COc1ccc(Cl)c2c1C[C@H](N1CCC[C@@H]1CF)CC2 ZINC001171334284 1131866898 /nfs/dbraw/zinc/86/68/98/1131866898.db2.gz QKMSOVUUTWRBSI-VXGBXAGGSA-N 0 1 297.801 3.640 20 0 CHADMN CCCC[C@H](CCC)NC(=O)c1cccc2nc(C)[nH]c21 ZINC001148997893 1131876812 /nfs/dbraw/zinc/87/68/12/1131876812.db2.gz SZTQJGBGWISPEZ-ZDUSSCGKSA-N 0 1 287.407 3.960 20 0 CHADMN C[C@H](NCc1ccc(F)cn1)c1ccc(Cl)cc1 ZINC000348094569 1131883954 /nfs/dbraw/zinc/88/39/54/1131883954.db2.gz YMSUVUNBEKCMQA-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN Cc1cc(Cl)ccc1CNc1cnccc1-n1cccn1 ZINC000348137820 1131889846 /nfs/dbraw/zinc/88/98/46/1131889846.db2.gz DSIKWKOSPSZSLJ-UHFFFAOYSA-N 0 1 298.777 3.841 20 0 CHADMN Fc1cc(F)cc([C@H]2CCCN2Cc2cc[nH]c2)c1 ZINC001140710710 1131892378 /nfs/dbraw/zinc/89/23/78/1131892378.db2.gz RZMQMRJZMYIOLY-OAHLLOKOSA-N 0 1 262.303 3.630 20 0 CHADMN Cc1ccc([C@@H](C)Oc2[nH]c(=O)ncc2Cl)c(C)c1 ZINC001228483195 1131893043 /nfs/dbraw/zinc/89/30/43/1131893043.db2.gz SGGDUWXOTXRKGN-SNVBAGLBSA-N 0 1 278.739 3.592 20 0 CHADMN O=c1ncc(Cl)c(O[C@H]2CCc3ccc(Cl)cc32)[nH]1 ZINC001228481778 1131894095 /nfs/dbraw/zinc/89/40/95/1131894095.db2.gz HFGYUIXDGOAUEN-NSHDSACASA-N 0 1 297.141 3.555 20 0 CHADMN Cc1ccc(NC(=O)CN2CCCC3(CCC3)C2)cc1C ZINC000348176956 1131899545 /nfs/dbraw/zinc/89/95/45/1131899545.db2.gz GRFXEUPURPDJGV-UHFFFAOYSA-N 0 1 286.419 3.508 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN2CCCC3(CCC3)C2)c1 ZINC000348179450 1131901030 /nfs/dbraw/zinc/90/10/30/1131901030.db2.gz JPPCKCLOZZLPBX-UHFFFAOYSA-N 0 1 286.419 3.508 20 0 CHADMN COc1ccc(CN2CCCC[C@H]2C)c(Br)c1 ZINC001140755798 1131908183 /nfs/dbraw/zinc/90/81/83/1131908183.db2.gz TWYFHLVPXSEFLC-LLVKDONJSA-N 0 1 298.224 3.832 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1nc2cc(F)ccc2n1C ZINC000772999333 1131910928 /nfs/dbraw/zinc/91/09/28/1131910928.db2.gz JEDHYAYALFLNQG-CYBMUJFWSA-N 0 1 297.377 3.872 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccco1)[C@@H](O)c1c(F)cccc1Cl ZINC000773042230 1131926522 /nfs/dbraw/zinc/92/65/22/1131926522.db2.gz MIVDJKHSKRLQBA-FEUHOPSXSA-N 0 1 297.757 3.845 20 0 CHADMN C[N@H+](Cc1cc(Cl)c([O-])c(Cl)c1)CC1CCC1 ZINC001140833733 1131942630 /nfs/dbraw/zinc/94/26/30/1131942630.db2.gz GUCPHSDKPUZAPR-UHFFFAOYSA-N 0 1 274.191 3.931 20 0 CHADMN Clc1ccc2c(c1)CC[C@H]2Oc1ccc2[nH]nnc2c1 ZINC001228663376 1131930479 /nfs/dbraw/zinc/93/04/79/1131930479.db2.gz BQCSMXJHWIGKEI-OAHLLOKOSA-N 0 1 285.734 3.678 20 0 CHADMN Clc1ccccc1C1CC(Oc2ccc3[nH]nnc3c2)C1 ZINC001228667864 1131930879 /nfs/dbraw/zinc/93/08/79/1131930879.db2.gz UWHYIRHKNSLTOM-UHFFFAOYSA-N 0 1 299.761 3.936 20 0 CHADMN O=c1[nH]c2cccc(CNCc3ccc4occc4c3)c2o1 ZINC001203068569 1131933565 /nfs/dbraw/zinc/93/35/65/1131933565.db2.gz UQZULNRLGJDODS-UHFFFAOYSA-N 0 1 294.310 3.569 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@H]2CCCc3c[nH]nc32)c1 ZINC000773068222 1131935886 /nfs/dbraw/zinc/93/58/86/1131935886.db2.gz ZANMYIUVCGJJOJ-WBMJQRKESA-N 0 1 285.391 3.537 20 0 CHADMN COc1cc(F)c(CN2C[C@H]3CCCC[C@@H]3C2)c(F)c1 ZINC001140824302 1131937013 /nfs/dbraw/zinc/93/70/13/1131937013.db2.gz CCBJNDPFIAIVGY-VXGBXAGGSA-N 0 1 281.346 3.595 20 0 CHADMN C[C@H](NCc1cccc(F)n1)c1cccc(OC(F)F)c1 ZINC000773087444 1131941777 /nfs/dbraw/zinc/94/17/77/1131941777.db2.gz MHVAAFTZDCEWEX-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccc[nH]2)c(F)c1 ZINC000773119450 1131950129 /nfs/dbraw/zinc/95/01/29/1131950129.db2.gz RQJWTMRFJCVLJP-GHMZBOCLSA-N 0 1 262.328 3.574 20 0 CHADMN COc1ccc2c(cccc2OC2CN(C(C)(C)C)C2)c1 ZINC001228750315 1131950128 /nfs/dbraw/zinc/95/01/28/1131950128.db2.gz TWPZRNLOIVPYRJ-UHFFFAOYSA-N 0 1 285.387 3.710 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccc[nH]2)c(F)c1 ZINC000773119652 1131950186 /nfs/dbraw/zinc/95/01/86/1131950186.db2.gz RQJWTMRFJCVLJP-WDEREUQCSA-N 0 1 262.328 3.574 20 0 CHADMN COc1cc([C@H](C)N[C@H](C)c2cncs2)ccc1F ZINC000773132647 1131953601 /nfs/dbraw/zinc/95/36/01/1131953601.db2.gz PQGGJMQHKZYZQD-VHSXEESVSA-N 0 1 280.368 3.703 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1cnccc1C(F)(F)F ZINC001140914509 1131961773 /nfs/dbraw/zinc/96/17/73/1131961773.db2.gz LTWGGBXKXVRYFS-PHIMTYICSA-N 0 1 272.314 3.863 20 0 CHADMN Cc1cccc(CN(Cc2nccnc2C)C2CC2)c1C ZINC001140939613 1131967225 /nfs/dbraw/zinc/96/72/25/1131967225.db2.gz BWHSFAHGGANHFZ-UHFFFAOYSA-N 0 1 281.403 3.566 20 0 CHADMN CC(C)C[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccccc1 ZINC001140943884 1131968939 /nfs/dbraw/zinc/96/89/39/1131968939.db2.gz HGMHPMNYSYMMCZ-UHFFFAOYSA-N 0 1 287.359 3.636 20 0 CHADMN c1cnc(-c2cccc(CN3Cc4ccccc4C3)c2)nc1 ZINC001140976153 1131975748 /nfs/dbraw/zinc/97/57/48/1131975748.db2.gz DNBIIELTJCQTDJ-UHFFFAOYSA-N 0 1 287.366 3.659 20 0 CHADMN CN(Cc1ccsc1)Cc1cccc(-c2ncccn2)c1 ZINC001140980192 1131977376 /nfs/dbraw/zinc/97/73/76/1131977376.db2.gz QTGXAKHSMITSRK-UHFFFAOYSA-N 0 1 295.411 3.837 20 0 CHADMN FC(F)(F)c1cccc([C@@H]2CCN(Cc3ncco3)C2)c1 ZINC001141008416 1131982983 /nfs/dbraw/zinc/98/29/83/1131982983.db2.gz BNNGTXJWWJJJJQ-GFCCVEGCSA-N 0 1 296.292 3.683 20 0 CHADMN C[N@@H+](Cc1ccccc1)Cc1ccc2cccc(O)c2n1 ZINC001141018633 1131985106 /nfs/dbraw/zinc/98/51/06/1131985106.db2.gz DBVYKYZPVNYQGS-UHFFFAOYSA-N 0 1 278.355 3.572 20 0 CHADMN C/C=C/[C@@H](Oc1nnc2c[nH]ccc1-2)C1CCCCC1 ZINC001228989182 1131993432 /nfs/dbraw/zinc/99/34/32/1131993432.db2.gz FRDKKZOWAYAJMS-OYLQIYHASA-N 0 1 271.364 3.862 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccns2)s1 ZINC000715912480 1131993506 /nfs/dbraw/zinc/99/35/06/1131993506.db2.gz UEIUPNFJVNBRPR-ZJUUUORDSA-N 0 1 252.408 3.925 20 0 CHADMN CC(C)Oc1ccc(CN[C@@H](C)c2ccns2)cc1 ZINC000715929991 1131995847 /nfs/dbraw/zinc/99/58/47/1131995847.db2.gz FPNPNPOEGUKTIU-LBPRGKRZSA-N 0 1 276.405 3.781 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1ccco1 ZINC000037108072 1131996034 /nfs/dbraw/zinc/99/60/34/1131996034.db2.gz XVMMZUFYXUPCCE-AWEZNQCLSA-N 0 1 259.349 3.984 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccns2)cc1 ZINC000715964768 1132000851 /nfs/dbraw/zinc/00/08/51/1132000851.db2.gz GADYCILFOGYZEV-GHMZBOCLSA-N 0 1 262.378 3.564 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccns2)cc1Cl ZINC000716033284 1132002400 /nfs/dbraw/zinc/00/24/00/1132002400.db2.gz JPLFUCODTMDHEA-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN COc1ccc([C@H](N[C@H](C)c2ccns2)C2CC2)cc1 ZINC000716023800 1132002421 /nfs/dbraw/zinc/00/24/21/1132002421.db2.gz ZPYRMCPHBFZOHM-BDJLRTHQSA-N 0 1 288.416 3.954 20 0 CHADMN C[C@H](NCc1ccc(F)c(Cl)c1)c1ccns1 ZINC000716055675 1132003185 /nfs/dbraw/zinc/00/31/85/1132003185.db2.gz OURIIKCSUMRXDI-QMMMGPOBSA-N 0 1 270.760 3.786 20 0 CHADMN CCCCc1ncc(CN2CCc3ccc(C)cc3C2)[nH]1 ZINC001141067557 1132003114 /nfs/dbraw/zinc/00/31/14/1132003114.db2.gz HKCVMIWIGZMESP-UHFFFAOYSA-N 0 1 283.419 3.619 20 0 CHADMN CCCCc1ncc(CN(C)Cc2ccccc2F)[nH]1 ZINC001141069976 1132003253 /nfs/dbraw/zinc/00/32/53/1132003253.db2.gz KDRGYDPZUPLFQE-UHFFFAOYSA-N 0 1 275.371 3.523 20 0 CHADMN CCCCN(C)Cc1cccc(C)c1Br ZINC001141089262 1132010490 /nfs/dbraw/zinc/01/04/90/1132010490.db2.gz PAUTVSAFBDICMT-UHFFFAOYSA-N 0 1 270.214 3.989 20 0 CHADMN Cc1n[nH]c(CN[C@H](C)c2ccc(Cl)cc2)c1C ZINC000716469874 1132025165 /nfs/dbraw/zinc/02/51/65/1132025165.db2.gz VJGUVXMKFQYVBB-LLVKDONJSA-N 0 1 263.772 3.531 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001141182093 1132036151 /nfs/dbraw/zinc/03/61/51/1132036151.db2.gz COTRBNRKVNKWJO-DOMZBBRYSA-N 0 1 277.383 3.723 20 0 CHADMN Cc1ccc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c(F)c1 ZINC001141191950 1132040324 /nfs/dbraw/zinc/04/03/24/1132040324.db2.gz ZSLYEIDWZHDDNE-LJQANCHMSA-N 0 1 298.405 3.623 20 0 CHADMN Cc1ccc(CN2CCN(C)C[C@@H]2c2ccccc2)c(F)c1 ZINC001141191950 1132040332 /nfs/dbraw/zinc/04/03/32/1132040332.db2.gz ZSLYEIDWZHDDNE-LJQANCHMSA-N 0 1 298.405 3.623 20 0 CHADMN COc1cccc(CN2CCC3(CC(F)C3)CC2)c1F ZINC001141220481 1132044928 /nfs/dbraw/zinc/04/49/28/1132044928.db2.gz YPUUCERMHLGVQB-UHFFFAOYSA-N 0 1 281.346 3.548 20 0 CHADMN Fc1cc2c(c(F)c1F)C[C@@H](N1CC3(C1)CCCC3)CC2 ZINC001171534729 1132045703 /nfs/dbraw/zinc/04/57/03/1132045703.db2.gz YASLUWTXFQPXIY-LBPRGKRZSA-N 0 1 295.348 3.837 20 0 CHADMN Cc1c2nc[nH]c2ccc1NC(C)(C)c1ccncc1 ZINC001171514387 1132048449 /nfs/dbraw/zinc/04/84/49/1132048449.db2.gz HZPPWGBOEUIPNN-UHFFFAOYSA-N 0 1 266.348 3.614 20 0 CHADMN CCc1ccccc1CN1Cc2ccc(OC)cc2C1 ZINC001141227274 1132049245 /nfs/dbraw/zinc/04/92/45/1132049245.db2.gz XWGIXURJMAUITE-UHFFFAOYSA-N 0 1 267.372 3.773 20 0 CHADMN CCc1ccccc1CN(C)Cc1cccc(OC)c1OC ZINC001141227845 1132050590 /nfs/dbraw/zinc/05/05/90/1132050590.db2.gz MFRUIGVABBIMGF-UHFFFAOYSA-N 0 1 299.414 3.898 20 0 CHADMN COC(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000837282017 1132062412 /nfs/dbraw/zinc/06/24/12/1132062412.db2.gz FMNRNTDRDOUMDY-LBPRGKRZSA-N 0 1 293.754 3.510 20 0 CHADMN COc1cc(F)c(CN2CCC[C@](C)(F)CC2)cc1OC ZINC001141272256 1132067198 /nfs/dbraw/zinc/06/71/98/1132067198.db2.gz BZAWLXMYUXYPTK-INIZCTEOSA-N 0 1 299.361 3.557 20 0 CHADMN COc1cc(F)c(CN2CCC23CCCCC3)cc1OC ZINC001141275866 1132068242 /nfs/dbraw/zinc/06/82/42/1132068242.db2.gz XGWUCWJNAWQCIG-UHFFFAOYSA-N 0 1 293.382 3.752 20 0 CHADMN Cc1ccc(CC[C@@H](C)N2CC3(C2)CCCCO3)cc1 ZINC001171669574 1132073326 /nfs/dbraw/zinc/07/33/26/1132073326.db2.gz ABHURHBERVCRQQ-MRXNPFEDSA-N 0 1 273.420 3.571 20 0 CHADMN Cc1ccc(CC[C@@H](C)N2CCn3cccc3C2)cc1 ZINC001171675490 1132076861 /nfs/dbraw/zinc/07/68/61/1132076861.db2.gz RHOFOTAXTKPMMW-MRXNPFEDSA-N 0 1 268.404 3.633 20 0 CHADMN COc1cc(Cl)ncc1CN1CCC[C@H](C)[C@H](C)C1 ZINC001141333406 1132090110 /nfs/dbraw/zinc/09/01/10/1132090110.db2.gz AWOYMIXBZXDHQJ-NWDGAFQWSA-N 0 1 282.815 3.612 20 0 CHADMN CC[N@@H+](C)Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001141348565 1132096497 /nfs/dbraw/zinc/09/64/97/1132096497.db2.gz KCXFJFJWYDYNMZ-UHFFFAOYSA-N 0 1 269.344 3.504 20 0 CHADMN COc1cc(Cl)ncc1CN1CCC2(C1)CCCCC2 ZINC001141348373 1132096861 /nfs/dbraw/zinc/09/68/61/1132096861.db2.gz BQGJZCXFCNSZMT-UHFFFAOYSA-N 0 1 294.826 3.900 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(F)cc2C)[C@H](CC)CO1 ZINC001171779108 1132098348 /nfs/dbraw/zinc/09/83/48/1132098348.db2.gz SBGSAZAAGIEKJR-HZPDHXFCSA-N 0 1 265.372 3.524 20 0 CHADMN CCCCC[C@H](CC)C(=O)NCc1ccc2cncn2c1 ZINC000837857182 1132105267 /nfs/dbraw/zinc/10/52/67/1132105267.db2.gz QWPJPOZIRCUWQD-HNNXBMFYSA-N 0 1 287.407 3.557 20 0 CHADMN CCCCCC(C)(C)C(=O)NCc1ccc2cncn2c1 ZINC000837859716 1132105724 /nfs/dbraw/zinc/10/57/24/1132105724.db2.gz YMXCQVQDQADODN-UHFFFAOYSA-N 0 1 287.407 3.557 20 0 CHADMN CC1(C)CCN(Cc2nc(CC3CC3)no2)CC(C)(C)C1 ZINC001171882529 1132108452 /nfs/dbraw/zinc/10/84/52/1132108452.db2.gz WGFPLSXQRDBEHK-UHFFFAOYSA-N 0 1 291.439 3.670 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H](CC)CC(C)C)c1 ZINC001141416617 1132118570 /nfs/dbraw/zinc/11/85/70/1132118570.db2.gz NWNJQWRRYFWUJA-GFCCVEGCSA-N 0 1 291.391 3.996 20 0 CHADMN C1=C[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[CH]C1 ZINC001172068256 1132125429 /nfs/dbraw/zinc/12/54/29/1132125429.db2.gz JFVCOWWXCZMOJD-YSTOQKLRSA-N 0 1 295.450 3.694 20 0 CHADMN C[C@H](N[C@H]1CSc2ccccc2C1)c1nccs1 ZINC001172188755 1132137170 /nfs/dbraw/zinc/13/71/70/1132137170.db2.gz WFSYCNNLUSJGAE-CMPLNLGQSA-N 0 1 276.430 3.511 20 0 CHADMN O=c1[nH]cnc(O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1Cl ZINC001230018116 1132145262 /nfs/dbraw/zinc/14/52/62/1132145262.db2.gz NEYOCECBOSJRRZ-HBNTYKKESA-N 0 1 282.771 3.573 20 0 CHADMN O=c1[nH]cnc(O[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1Cl ZINC001230018117 1132145326 /nfs/dbraw/zinc/14/53/26/1132145326.db2.gz NEYOCECBOSJRRZ-OUAUKWLOSA-N 0 1 282.771 3.573 20 0 CHADMN CC1(C)C[C@H](NCc2cc(F)c(Cl)cc2Cl)CO1 ZINC001172267106 1132148716 /nfs/dbraw/zinc/14/87/16/1132148716.db2.gz YBAODNPWLSLSQI-VIFPVBQESA-N 0 1 292.181 3.790 20 0 CHADMN CCCCN(C(=O)CN(CC)C1CC1)[C@@H]1CCC[C@@H](C)C1 ZINC001141522694 1132148840 /nfs/dbraw/zinc/14/88/40/1132148840.db2.gz PSMKUPBXRIKIBT-NVXWUHKLSA-N 0 1 294.483 3.678 20 0 CHADMN CCOC(=O)CC(C)(C)CN1CC[C@@H]1c1cccc(F)c1 ZINC000838850546 1132150765 /nfs/dbraw/zinc/15/07/65/1132150765.db2.gz QDLJVMGJHHUNQO-OAHLLOKOSA-N 0 1 293.382 3.552 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc3c(n2)CCC3)s1 ZINC000838912828 1132156767 /nfs/dbraw/zinc/15/67/67/1132156767.db2.gz QLPLORSQGZFLIG-LBPRGKRZSA-N 0 1 272.417 3.791 20 0 CHADMN CCCCC[C@@H](NCc1cnnn1CC)c1ccccc1 ZINC000838913416 1132157853 /nfs/dbraw/zinc/15/78/53/1132157853.db2.gz ILQVYRMZYBMSRQ-QGZVFWFLSA-N 0 1 286.423 3.709 20 0 CHADMN Clc1cccc2cc(CN3C[C@@H]4C[C@@H]4C3)c(Cl)nc12 ZINC001141543574 1132159892 /nfs/dbraw/zinc/15/98/92/1132159892.db2.gz GTAGZDIUVPQUTJ-PHIMTYICSA-N 0 1 293.197 3.993 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@@H]1CCOc2ccccc21 ZINC001230224880 1132162328 /nfs/dbraw/zinc/16/23/28/1132162328.db2.gz BOFUOPUSMVUUMV-MRXNPFEDSA-N 0 1 280.327 3.774 20 0 CHADMN CC(C)CN(C)Cc1c(F)cc(Br)cc1F ZINC001141551945 1132164265 /nfs/dbraw/zinc/16/42/65/1132164265.db2.gz XAFJNIDRDUZUMT-UHFFFAOYSA-N 0 1 292.167 3.815 20 0 CHADMN CC[C@@H](C)OCC[C@H](C)N1CCOC[C@@H]1c1ccccc1 ZINC001172334943 1132173959 /nfs/dbraw/zinc/17/39/59/1132173959.db2.gz DUSXQAMUNKMTMO-LZLYRXPVSA-N 0 1 291.435 3.654 20 0 CHADMN CC[C@H](C)OCC[C@H](C)N1CCO[C@@H](c2ccccc2)C1 ZINC001172344117 1132179561 /nfs/dbraw/zinc/17/95/61/1132179561.db2.gz WVEMYHKVLLLMKT-XYJFISCASA-N 0 1 291.435 3.654 20 0 CHADMN Cc1nc(F)ccc1CN1CC(C2CCCCC2)C1 ZINC000839135311 1132182874 /nfs/dbraw/zinc/18/28/74/1132182874.db2.gz BBRFNMCISCAODH-UHFFFAOYSA-N 0 1 262.372 3.541 20 0 CHADMN FCCN1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000839137768 1132183330 /nfs/dbraw/zinc/18/33/30/1132183330.db2.gz IUCWXGWSCWXIKL-ZDUSSCGKSA-N 0 1 281.762 3.713 20 0 CHADMN CC[C@@H](CC(C)C)N1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001172404406 1132197247 /nfs/dbraw/zinc/19/72/47/1132197247.db2.gz WUIVCSASPMWSME-KBPBESRZSA-N 0 1 284.444 3.710 20 0 CHADMN COc1cc(C(F)(F)F)ccc1CN1CC2(CCC2)C1 ZINC001141604749 1132202840 /nfs/dbraw/zinc/20/28/40/1132202840.db2.gz LWTVWKBFEGRACL-UHFFFAOYSA-N 0 1 285.309 3.700 20 0 CHADMN CC(C)OCC[C@@H](C)n1c2cc(Cl)ccc2nc1CN ZINC001172433326 1132207035 /nfs/dbraw/zinc/20/70/35/1132207035.db2.gz HNZWHHIFTLBFQD-LLVKDONJSA-N 0 1 295.814 3.525 20 0 CHADMN COc1cc(C(F)(F)F)ccc1CN(C)CCSC ZINC001141612188 1132207054 /nfs/dbraw/zinc/20/70/54/1132207054.db2.gz PWORZPARZKRBMV-UHFFFAOYSA-N 0 1 293.354 3.509 20 0 CHADMN CC(C)c1scnc1NC(=O)c1c(O)cccc1Cl ZINC001141615115 1132207400 /nfs/dbraw/zinc/20/74/00/1132207400.db2.gz AVGPMXXYNNGIRM-UHFFFAOYSA-N 0 1 296.779 3.878 20 0 CHADMN Cc1nc2c(s1)CN([C@@H]1CC[C@H](C)[C@H](C)C1)C2 ZINC001172382990 1132208442 /nfs/dbraw/zinc/20/84/42/1132208442.db2.gz NRQGCHKORUYLRD-HOSYDEDBSA-N 0 1 250.411 3.592 20 0 CHADMN Cc1ccc2ncc(CN3CC[C@@H](C(F)(F)F)C3)cc2c1 ZINC000839532425 1132221625 /nfs/dbraw/zinc/22/16/25/1132221625.db2.gz BUQDOXDRERXQAF-CQSZACIVSA-N 0 1 294.320 3.927 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)c2csc3ccccc23)n[nH]1 ZINC000839554380 1132223796 /nfs/dbraw/zinc/22/37/96/1132223796.db2.gz YFKJVKCOELZDOF-UWVGGRQHSA-N 0 1 286.404 3.740 20 0 CHADMN CC(C)COCC[C@H](C)N1CCc2nc(Cl)ccc2C1 ZINC001172470848 1132224810 /nfs/dbraw/zinc/22/48/10/1132224810.db2.gz PVCFZMCPVUHKKB-ZDUSSCGKSA-N 0 1 296.842 3.544 20 0 CHADMN CCN(Cc1occc1C)C[C@]1(C)CC1(Cl)Cl ZINC000839662924 1132228215 /nfs/dbraw/zinc/22/82/15/1132228215.db2.gz MYAQIQZEXRGSOI-LBPRGKRZSA-N 0 1 276.207 3.994 20 0 CHADMN CCN(Cc1occc1C)Cc1ccc2c(c1)COC2 ZINC000839662894 1132229278 /nfs/dbraw/zinc/22/92/78/1132229278.db2.gz MLCUWIDTBJFUEG-UHFFFAOYSA-N 0 1 271.360 3.640 20 0 CHADMN Fc1cc(O[C@@H]2CCC=CCCC2)cc2[nH]ncc21 ZINC001230930718 1132230130 /nfs/dbraw/zinc/23/01/30/1132230130.db2.gz HNAVXBCBUNCILX-LLVKDONJSA-N 0 1 260.312 3.970 20 0 CHADMN CC(C)[C@@H](Oc1cc2[nH]ncc2c(F)c1)C(F)(F)F ZINC001230931515 1132230693 /nfs/dbraw/zinc/23/06/93/1132230693.db2.gz OVMJFJXGLNUDTF-LLVKDONJSA-N 0 1 276.233 3.668 20 0 CHADMN C[C@@H]1CN(Cc2ccc3c(c2)Cc2ccccc2-3)[C@@H](C)CO1 ZINC001141741367 1132243540 /nfs/dbraw/zinc/24/35/40/1132243540.db2.gz MOWVFESMRHHMNH-LSDHHAIUSA-N 0 1 293.410 3.867 20 0 CHADMN C[C@@H](Oc1nc2cc(Cl)nc(Cl)c2[nH]1)C1CCC1 ZINC001231044695 1132246218 /nfs/dbraw/zinc/24/62/18/1132246218.db2.gz NVZZXNFNHNYGBV-ZCFIWIBFSA-N 0 1 286.162 3.832 20 0 CHADMN CC(C)CCC[C@H](C)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047095 1132247708 /nfs/dbraw/zinc/24/77/08/1132247708.db2.gz JWLWFELJKWYAMG-VIFPVBQESA-N 0 1 282.775 3.600 20 0 CHADMN CC[C@H](C)C[C@H](CC)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047368 1132248251 /nfs/dbraw/zinc/24/82/51/1132248251.db2.gz QTWLRCOOYYUOCK-IUCAKERBSA-N 0 1 282.775 3.600 20 0 CHADMN CN(Cc1nccs1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172565221 1132271069 /nfs/dbraw/zinc/27/10/69/1132271069.db2.gz TUBZPLYMTLTNJI-HUUCEWRRSA-N 0 1 272.417 3.911 20 0 CHADMN CCc1nc(CN[C@H]2CCc3cccc(Cl)c3C2)co1 ZINC000840758699 1132282452 /nfs/dbraw/zinc/28/24/52/1132282452.db2.gz DVXHQRPMLSYLQT-LBPRGKRZSA-N 0 1 290.794 3.538 20 0 CHADMN Cn1cnc2c1CCN([C@H]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001172548588 1132282765 /nfs/dbraw/zinc/28/27/65/1132282765.db2.gz GRWUBRCGJQQZDL-SJORKVTESA-N 0 1 295.430 3.505 20 0 CHADMN C[C@@H]1CCN(C2CC(C)(C)OC(C)(C)C2)CC1(F)F ZINC001172654594 1132289791 /nfs/dbraw/zinc/28/97/91/1132289791.db2.gz DPZQWRMGTUZBFD-LLVKDONJSA-N 0 1 275.383 3.700 20 0 CHADMN CCC(CC)N(C)Cc1c(F)ccc(F)c1OC ZINC001231414358 1132291821 /nfs/dbraw/zinc/29/18/21/1132291821.db2.gz PYTYLDPELSRDQG-UHFFFAOYSA-N 0 1 257.324 3.594 20 0 CHADMN Cc1n[nH]cc1-c1nc(-c2ccc3sccc3c2)no1 ZINC001212677512 1132292069 /nfs/dbraw/zinc/29/20/69/1132292069.db2.gz AVSHALAAOFUJHS-UHFFFAOYSA-N 0 1 282.328 3.650 20 0 CHADMN CN(C)c1ccc2cc(CN3CCC[C@@H](F)C3)ccc2c1 ZINC001231442225 1132294404 /nfs/dbraw/zinc/29/44/04/1132294404.db2.gz YEGQGCSWQMRMFM-QGZVFWFLSA-N 0 1 286.394 3.840 20 0 CHADMN Cc1cc2c(cn1)CN([C@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172722185 1132295042 /nfs/dbraw/zinc/29/50/42/1132295042.db2.gz QCSVWHKDMXBYBE-KRWDZBQOSA-N 0 1 284.790 3.526 20 0 CHADMN Cc1cnc2c(c1)CN([C@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC001172723678 1132298115 /nfs/dbraw/zinc/29/81/15/1132298115.db2.gz HZQDDHKNPJYSAE-KRWDZBQOSA-N 0 1 298.817 3.569 20 0 CHADMN Cc1cc(C)c(CN2CC[C@@](C)(F)[C@@H](F)C2)cc1C ZINC001231482370 1132298091 /nfs/dbraw/zinc/29/80/91/1132298091.db2.gz KGRMHHDJEMMCSK-JKSUJKDBSA-N 0 1 267.363 3.884 20 0 CHADMN CCc1coc(CNC2CCC3(CCCC3)CC2)n1 ZINC001172723932 1132298466 /nfs/dbraw/zinc/29/84/66/1132298466.db2.gz XWZBUVHWYYWUFA-UHFFFAOYSA-N 0 1 262.397 3.830 20 0 CHADMN CCCOC1CCN(Cc2ccc(SC)s2)CC1 ZINC001142025961 1132298910 /nfs/dbraw/zinc/29/89/10/1132298910.db2.gz UHXOYPBSIWWHJE-UHFFFAOYSA-N 0 1 285.478 3.861 20 0 CHADMN CCCC1(C(=O)N2CCN(CCC(C)(C)C)CC2)CCC1 ZINC001142026899 1132300703 /nfs/dbraw/zinc/30/07/03/1132300703.db2.gz PAGUXQSPJRRIMO-UHFFFAOYSA-N 0 1 294.483 3.537 20 0 CHADMN CSc1ccc(CN2CCC[C@H](C(F)F)C2)s1 ZINC001142027782 1132301014 /nfs/dbraw/zinc/30/10/14/1132301014.db2.gz LNFVHQOSKTWRRH-VIFPVBQESA-N 0 1 277.405 3.947 20 0 CHADMN Cc1cnc2c(c1)CN(Cc1cc(C)c(C)cc1C)CC2 ZINC001231485827 1132301846 /nfs/dbraw/zinc/30/18/46/1132301846.db2.gz NBHAYGWHFIOYPM-UHFFFAOYSA-N 0 1 280.415 3.874 20 0 CHADMN FC(F)(F)Oc1ccccc1CNc1nccn1C1CC1 ZINC000840886775 1132302687 /nfs/dbraw/zinc/30/26/87/1132302687.db2.gz CCJNTXGPEXFOBK-UHFFFAOYSA-N 0 1 297.280 3.729 20 0 CHADMN FC1(F)CCN(C2CN(C3CCC4(CCCC4)CC3)C2)C1 ZINC001172730062 1132303120 /nfs/dbraw/zinc/30/31/20/1132303120.db2.gz UIZKKBCSESWRQT-UHFFFAOYSA-N 0 1 298.421 3.515 20 0 CHADMN CCc1ccc(C[N@H+]2CCc3ccc(OC)cc3C2)s1 ZINC001231499381 1132304886 /nfs/dbraw/zinc/30/48/86/1132304886.db2.gz JYSYRRHMJATSHI-UHFFFAOYSA-N 0 1 287.428 3.877 20 0 CHADMN CCc1ccc(CN2CCc3ccc(OC)cc3C2)s1 ZINC001231499381 1132304892 /nfs/dbraw/zinc/30/48/92/1132304892.db2.gz JYSYRRHMJATSHI-UHFFFAOYSA-N 0 1 287.428 3.877 20 0 CHADMN CCSc1cccc(CNc2nccn2C2CC2)c1 ZINC000840886946 1132304999 /nfs/dbraw/zinc/30/49/99/1132304999.db2.gz OUTNWMKPZKSBGY-UHFFFAOYSA-N 0 1 273.405 3.942 20 0 CHADMN CCOC(=O)CN(C1CC1)C1CCC2(CCCC2)CC1 ZINC001172730753 1132305402 /nfs/dbraw/zinc/30/54/02/1132305402.db2.gz PQSFDTGRLZGADX-UHFFFAOYSA-N 0 1 279.424 3.517 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(C)nc2)s1 ZINC001231502965 1132308287 /nfs/dbraw/zinc/30/82/87/1132308287.db2.gz HEUBFTQOCCTAIH-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN c1ccc(-c2cccc(CN3CCCC34COC4)c2)cc1 ZINC001231510251 1132310022 /nfs/dbraw/zinc/31/00/22/1132310022.db2.gz OEEFMBIGWXATPG-UHFFFAOYSA-N 0 1 279.383 3.718 20 0 CHADMN CC(C)OC(=O)CC[C@H](C)N(C)Cc1cccc(F)c1F ZINC001172762420 1132312308 /nfs/dbraw/zinc/31/23/08/1132312308.db2.gz KOGBNGXVGRDUIX-LBPRGKRZSA-N 0 1 299.361 3.517 20 0 CHADMN C[N@H+](CCC1CC1)Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231526364 1132313879 /nfs/dbraw/zinc/31/38/79/1132313879.db2.gz QAPRDNSDQIDDPH-UHFFFAOYSA-N 0 1 273.298 3.643 20 0 CHADMN C[N@@H+](CCC1CC1)Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231526364 1132313884 /nfs/dbraw/zinc/31/38/84/1132313884.db2.gz QAPRDNSDQIDDPH-UHFFFAOYSA-N 0 1 273.298 3.643 20 0 CHADMN CCN(Cc1cccs1)Cc1ccc(OC(C)C)nc1 ZINC001231536786 1132314505 /nfs/dbraw/zinc/31/45/05/1132314505.db2.gz APAVCPFOSGWXGJ-UHFFFAOYSA-N 0 1 290.432 3.952 20 0 CHADMN CC(C)Oc1ccc(CN2CCCc3ccccc3C2)cn1 ZINC001231536639 1132315949 /nfs/dbraw/zinc/31/59/49/1132315949.db2.gz VKFZNFXSKADXKU-UHFFFAOYSA-N 0 1 296.414 3.817 20 0 CHADMN Cc1csc2sc(CN(C)CCF)c(C)c12 ZINC001231831525 1132375098 /nfs/dbraw/zinc/37/50/98/1132375098.db2.gz OWOWMYNAMALDOH-UHFFFAOYSA-N 0 1 257.399 3.981 20 0 CHADMN Oc1cc(Cl)c(CN2C[C@@H]3CCC[C@@H]3C2)c(Cl)c1 ZINC001142106114 1132326114 /nfs/dbraw/zinc/32/61/14/1132326114.db2.gz ZTDYIOQOUTXKRB-AOOOYVTPSA-N 0 1 286.202 3.931 20 0 CHADMN F[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC001231630368 1132331844 /nfs/dbraw/zinc/33/18/44/1132331844.db2.gz PFVDKQNAQYJGQV-CQSZACIVSA-N 0 1 274.339 3.666 20 0 CHADMN F[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC001231630368 1132331837 /nfs/dbraw/zinc/33/18/37/1132331837.db2.gz PFVDKQNAQYJGQV-CQSZACIVSA-N 0 1 274.339 3.666 20 0 CHADMN Cc1sc2ccccc2c1C[N@H+]1CCCC(=O)CC1 ZINC001231644915 1132333516 /nfs/dbraw/zinc/33/35/16/1132333516.db2.gz NCEQDOCLJVRJSR-UHFFFAOYSA-N 0 1 273.401 3.765 20 0 CHADMN Cc1sc2ccccc2c1CN1CCCC(=O)CC1 ZINC001231644915 1132333525 /nfs/dbraw/zinc/33/35/25/1132333525.db2.gz NCEQDOCLJVRJSR-UHFFFAOYSA-N 0 1 273.401 3.765 20 0 CHADMN Cc1sc2ccccc2c1CN1C[C@@H](C)O[C@H](C)C1 ZINC001231645798 1132334536 /nfs/dbraw/zinc/33/45/36/1132334536.db2.gz AOWLZVSPDALZQP-VXGBXAGGSA-N 0 1 275.417 3.819 20 0 CHADMN CCOc1ccc(CN(CC)Cc2ccccc2)cn1 ZINC001231650320 1132335280 /nfs/dbraw/zinc/33/52/80/1132335280.db2.gz YFLFSQFKBLCUQQ-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN CCCO[C@H]1CCN([C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172851646 1132339831 /nfs/dbraw/zinc/33/98/31/1132339831.db2.gz BJPOKIGRNQNZGP-STQMWFEESA-N 0 1 299.817 3.911 20 0 CHADMN CCCO[C@H]1CCN([C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172851643 1132340445 /nfs/dbraw/zinc/34/04/45/1132340445.db2.gz BJPOKIGRNQNZGP-OLZOCXBDSA-N 0 1 299.817 3.911 20 0 CHADMN O=C([O-])c1ccccc1-c1ccccc1C[N@H+]1CC[C@H](F)C1 ZINC001231675922 1132343831 /nfs/dbraw/zinc/34/38/31/1132343831.db2.gz UDSOROCSYWLULU-AWEZNQCLSA-N 0 1 299.345 3.596 20 0 CHADMN CC(C)[N@@H+](C)Cc1ccccc1-c1ccccc1C(=O)[O-] ZINC001231677634 1132344696 /nfs/dbraw/zinc/34/46/96/1132344696.db2.gz QPYQGSRYLUWBII-UHFFFAOYSA-N 0 1 283.371 3.892 20 0 CHADMN COc1cc(Cl)c(CN2CCCCC23CC3)c(OC)c1 ZINC001231699553 1132346148 /nfs/dbraw/zinc/34/61/48/1132346148.db2.gz OFWAGFWITVSMEW-UHFFFAOYSA-N 0 1 295.810 3.876 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)N1CCC[C@@H]2C[C@@H]21 ZINC001172862212 1132346637 /nfs/dbraw/zinc/34/66/37/1132346637.db2.gz PJJKFZWRPONPJF-HFAKWTLXSA-N 0 1 267.775 3.894 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2ccc(Cl)c(O)c2)cc1 ZINC001231736965 1132351924 /nfs/dbraw/zinc/35/19/24/1132351924.db2.gz JWMRXTRBHHZWRI-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN Cc1ccc(C[N@@H+](C)Cc2ccc(Cl)c([O-])c2)cc1 ZINC001231736965 1132351930 /nfs/dbraw/zinc/35/19/30/1132351930.db2.gz JWMRXTRBHHZWRI-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2ccc(Cl)c([O-])c2)cc1 ZINC001231736965 1132351940 /nfs/dbraw/zinc/35/19/40/1132351940.db2.gz JWMRXTRBHHZWRI-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN [O-]c1cc(C[NH+]2C3CCCC2CCC3)ccc1Cl ZINC001231735567 1132352010 /nfs/dbraw/zinc/35/20/10/1132352010.db2.gz PRUXBGCEWRUWLH-UHFFFAOYSA-N 0 1 265.784 3.953 20 0 CHADMN CC1(C)CC[NH+](Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231733656 1132352419 /nfs/dbraw/zinc/35/24/19/1132352419.db2.gz BYNNOURAHOZQRS-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN CC(C)[N@@H+](C)Cc1cc(Cl)c([O-])c(Br)c1 ZINC001231745529 1132354878 /nfs/dbraw/zinc/35/48/78/1132354878.db2.gz DURUAPWONXMHQK-UHFFFAOYSA-N 0 1 292.604 3.648 20 0 CHADMN CCOc1ncccc1CN1CCC2(CC[C@H](F)C2)CC1 ZINC001231769018 1132357150 /nfs/dbraw/zinc/35/71/50/1132357150.db2.gz SORNQRNEMDXVAI-HNNXBMFYSA-N 0 1 292.398 3.585 20 0 CHADMN CCOc1ncccc1CN1CCC[C@@H]1c1cccs1 ZINC001231765116 1132358483 /nfs/dbraw/zinc/35/84/83/1132358483.db2.gz MNOZTXZSASOOOS-CQSZACIVSA-N 0 1 288.416 3.879 20 0 CHADMN Cc1n[nH]c(C)c1NC(=O)/C=C\[C@]1(C)CC[C@H](C)C1(C)C ZINC000841381058 1132359330 /nfs/dbraw/zinc/35/93/30/1132359330.db2.gz FUZHMZDWDVGRPM-QVMWQPLQSA-N 0 1 289.423 3.984 20 0 CHADMN Cc1ccc(-c2ccc(CN3CC[C@@](F)(CO)C3)cc2)cc1 ZINC001142301893 1132362942 /nfs/dbraw/zinc/36/29/42/1132362942.db2.gz WYUYMGKAAIAPDR-IBGZPJMESA-N 0 1 299.389 3.568 20 0 CHADMN OC[C@@H]1C[C@@H](F)CN(Cc2ccccc2-c2ccccc2)C1 ZINC001142331196 1132371105 /nfs/dbraw/zinc/37/11/05/1132371105.db2.gz MMZJEVZKAZPEBQ-CRAIPNDOSA-N 0 1 299.389 3.506 20 0 CHADMN CCCc1ccc(CN2CCC(=O)[C@H]3CCCC[C@@H]32)cc1 ZINC001142348690 1132373358 /nfs/dbraw/zinc/37/33/58/1132373358.db2.gz IYXPQWXIAPZQDE-ROUUACIJSA-N 0 1 285.431 3.973 20 0 CHADMN CC(C)N(C)Cc1ccc(C(F)(F)F)c(F)c1F ZINC001231854465 1132379922 /nfs/dbraw/zinc/37/99/22/1132379922.db2.gz AVJJJARCKKFGQP-UHFFFAOYSA-N 0 1 267.241 3.824 20 0 CHADMN COc1ccc(CN(C)Cc2ccnc(C(F)F)c2)cc1 ZINC001231891488 1132392911 /nfs/dbraw/zinc/39/29/11/1132392911.db2.gz WHEIRCQQPHPCBV-UHFFFAOYSA-N 0 1 292.329 3.660 20 0 CHADMN COc1cccc2c(C[N@H+]3CCC[C@H]4CCC[C@H]43)c[nH]c21 ZINC001231899039 1132397729 /nfs/dbraw/zinc/39/77/29/1132397729.db2.gz JVNFTMVIPUGURS-CZUORRHYSA-N 0 1 284.403 3.941 20 0 CHADMN c1cnc(C2(NC3CCC4(CCCCC4)CC3)CC2)nc1 ZINC001173117916 1132397778 /nfs/dbraw/zinc/39/77/78/1132397778.db2.gz FPEDZZPZYGUBQU-UHFFFAOYSA-N 0 1 285.435 3.948 20 0 CHADMN c1ncc2c(n1)CN(C1CCC3(CCCCC3)CC1)C2 ZINC001173117352 1132398071 /nfs/dbraw/zinc/39/80/71/1132398071.db2.gz IJTDHCITEDDEBT-UHFFFAOYSA-N 0 1 271.408 3.685 20 0 CHADMN CN(Cc1ncccn1)C1CCC2(CCCCC2)CC1 ZINC001173117516 1132398884 /nfs/dbraw/zinc/39/88/84/1132398884.db2.gz ITXHTAODQNTOBD-UHFFFAOYSA-N 0 1 273.424 3.802 20 0 CHADMN CSCCN(C)Cc1cc(Cl)ncc1C(F)(F)F ZINC001231933220 1132402037 /nfs/dbraw/zinc/40/20/37/1132402037.db2.gz NOHSLQPIPINEIR-UHFFFAOYSA-N 0 1 298.761 3.549 20 0 CHADMN COc1cc(CN2Cc3ccccc3[C@H](C)C2)ccc1O ZINC001204112202 1132406236 /nfs/dbraw/zinc/40/62/36/1132406236.db2.gz LHJILRSUGWYPRM-CYBMUJFWSA-N 0 1 283.371 3.520 20 0 CHADMN Cc1cc(CN2CCc3c(C)cccc3C2)cc(C)n1 ZINC001231995189 1132406591 /nfs/dbraw/zinc/40/65/91/1132406591.db2.gz IHQNZRSRHAXNLE-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN Cc1nc2ccc(Nc3nccc4cnccc43)cc2[nH]1 ZINC001213071595 1132406665 /nfs/dbraw/zinc/40/66/65/1132406665.db2.gz ZLVBGSILOUEHKD-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCCCC12COC2 ZINC001232007362 1132410391 /nfs/dbraw/zinc/41/03/91/1132410391.db2.gz YFVCGTSSSNXZBM-UHFFFAOYSA-N 0 1 299.336 3.769 20 0 CHADMN CCN(Cc1c[nH]c2cccc(OC)c12)Cc1ccccn1 ZINC001232037281 1132412108 /nfs/dbraw/zinc/41/21/08/1132412108.db2.gz RSYRWLXMRUZVAD-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN CC(C)N(Cc1ccnc(Br)c1F)C(C)C ZINC001232028829 1132412732 /nfs/dbraw/zinc/41/27/32/1132412732.db2.gz MTMWIFOLSBBIFU-UHFFFAOYSA-N 0 1 289.192 3.602 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2ncc(Br)cc2C)C1 ZINC001232049846 1132414295 /nfs/dbraw/zinc/41/42/95/1132414295.db2.gz IUZHADODKHPILZ-GFCCVEGCSA-N 0 1 297.240 3.775 20 0 CHADMN CC[C@@H]1CCCN(Cc2ncc(Br)cc2C)C1 ZINC001232049846 1132414298 /nfs/dbraw/zinc/41/42/98/1132414298.db2.gz IUZHADODKHPILZ-GFCCVEGCSA-N 0 1 297.240 3.775 20 0 CHADMN CN(Cc1c(Cl)n(C)nc1C(F)F)C1CCCCC1 ZINC001232052789 1132414664 /nfs/dbraw/zinc/41/46/64/1132414664.db2.gz WFMWVENEEAGQNH-UHFFFAOYSA-N 0 1 291.773 3.776 20 0 CHADMN Cc1cc(Br)cnc1C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC001232049218 1132415255 /nfs/dbraw/zinc/41/52/55/1132415255.db2.gz UABPPMNXIQVJMD-ZYHUDNBSSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1cc(Br)cnc1CN1CCC[C@@H](C)[C@H]1C ZINC001232049218 1132415259 /nfs/dbraw/zinc/41/52/59/1132415259.db2.gz UABPPMNXIQVJMD-ZYHUDNBSSA-N 0 1 297.240 3.773 20 0 CHADMN CCc1ccc(C[C@H](C)N(C)Cc2nccs2)cc1 ZINC001173244458 1132417311 /nfs/dbraw/zinc/41/73/11/1132417311.db2.gz WCXNXGXKQHNLHM-ZDUSSCGKSA-N 0 1 274.433 3.769 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1cc2ncccc2[nH]1 ZINC001232063012 1132417331 /nfs/dbraw/zinc/41/73/31/1132417331.db2.gz FTUVPWUENGBFEP-CYBMUJFWSA-N 0 1 277.371 3.682 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cc3ncccc3[nH]2)cn1 ZINC001232066223 1132417643 /nfs/dbraw/zinc/41/76/43/1132417643.db2.gz QRTKXMKSQMDOAQ-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN CCc1ccc(C[C@@H](C)N2Cc3cnc(C)cc3C2)cc1 ZINC001173243478 1132418013 /nfs/dbraw/zinc/41/80/13/1132418013.db2.gz OEACYRSZAZSICM-OAHLLOKOSA-N 0 1 280.415 3.899 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1cc2ccncc2[nH]1 ZINC001232089625 1132420552 /nfs/dbraw/zinc/42/05/52/1132420552.db2.gz BPBLUIQCBVJYFV-ZDUSSCGKSA-N 0 1 277.371 3.682 20 0 CHADMN CN(Cc1cc2ccncc2[nH]1)Cc1cccc(Cl)c1 ZINC001232093775 1132422347 /nfs/dbraw/zinc/42/23/47/1132422347.db2.gz ZOCPTPFUYFHFGX-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN c1nc(-c2cccnc2)oc1CN1CC[C@@H]1c1ccccc1 ZINC001232134182 1132426123 /nfs/dbraw/zinc/42/61/23/1132426123.db2.gz XGDQPTHTGJTOBV-QGZVFWFLSA-N 0 1 291.354 3.684 20 0 CHADMN Cc1cnc(CN2CCC[C@H](C)[C@@H]2C)c(Br)c1 ZINC001232175176 1132431603 /nfs/dbraw/zinc/43/16/03/1132431603.db2.gz CSERJEXDNGYEQA-RYUDHWBXSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1sc(CN2C[C@H]3CC[C@@H]2C3)cc1Br ZINC001232293241 1132450403 /nfs/dbraw/zinc/45/04/03/1132450403.db2.gz DWEJZHZMVDTKNV-VHSXEESVSA-N 0 1 286.238 3.803 20 0 CHADMN Cc1scnc1CN1CCC[C@H](c2ccccc2)C1 ZINC001232204129 1132433880 /nfs/dbraw/zinc/43/38/80/1132433880.db2.gz SEAOHKBEXHEDTP-HNNXBMFYSA-N 0 1 272.417 3.831 20 0 CHADMN CC[N@@H+](Cc1ccns1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001232189838 1132434132 /nfs/dbraw/zinc/43/41/32/1132434132.db2.gz NRZIWXUVLHJNGT-ZDUSSCGKSA-N 0 1 290.432 3.605 20 0 CHADMN CCC[C@@H](C)c1noc(-c2cc3cccnc3[nH]2)n1 ZINC000842492028 1132434654 /nfs/dbraw/zinc/43/46/54/1132434654.db2.gz VIMKAKLMDREEBH-SECBINFHSA-N 0 1 256.309 3.517 20 0 CHADMN Fc1cccc2c(CN3CCC(F)(F)CC3)ccnc12 ZINC001232205415 1132434787 /nfs/dbraw/zinc/43/47/87/1132434787.db2.gz AIGUAUTYOCKDST-UHFFFAOYSA-N 0 1 280.293 3.605 20 0 CHADMN Cc1scnc1CN1CC[C@H](c2ccc(F)cc2)C1 ZINC001232206922 1132435207 /nfs/dbraw/zinc/43/52/07/1132435207.db2.gz QIVQDRDYWSUNRD-ZDUSSCGKSA-N 0 1 276.380 3.580 20 0 CHADMN C1=CC2(CCN(Cc3cnsc3)CC2)c2ccccc21 ZINC001232225717 1132438791 /nfs/dbraw/zinc/43/87/91/1132438791.db2.gz FMOIRYRLBNPXOJ-UHFFFAOYSA-N 0 1 282.412 3.704 20 0 CHADMN c1nscc1CN(Cc1ccccc1)C1CCC1 ZINC001232231950 1132440748 /nfs/dbraw/zinc/44/07/48/1132440748.db2.gz YGTYTQKQIHRUSH-UHFFFAOYSA-N 0 1 258.390 3.698 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2ccnc(C(F)(F)F)c2)C1 ZINC001232240714 1132442845 /nfs/dbraw/zinc/44/28/45/1132442845.db2.gz OOJHOZGHGDGDAU-PHIMTYICSA-N 0 1 272.314 3.578 20 0 CHADMN CCSC[C@H](C)N[C@@H]1CCOc2cc(F)cc(F)c21 ZINC001173297440 1132445230 /nfs/dbraw/zinc/44/52/30/1132445230.db2.gz SUEZGMWZMKRNOF-JOYOIKCWSA-N 0 1 287.375 3.520 20 0 CHADMN CC[C@@H](C)c1ccc(-c2nc([C@H]3CCCN3)no2)cc1 ZINC000842637995 1132447547 /nfs/dbraw/zinc/44/75/47/1132447547.db2.gz HPLMDJVRXGLJBK-BXUZGUMPSA-N 0 1 271.364 3.675 20 0 CHADMN CCCCC[C@@](C)(CC)c1nc([C@@H]2CCCN2)no1 ZINC000842637990 1132447698 /nfs/dbraw/zinc/44/76/98/1132447698.db2.gz UZHDGEDIZTUQBB-SWLSCSKDSA-N 0 1 265.401 3.742 20 0 CHADMN CC[C@H](C)c1ccc(-c2nc([C@H]3CCCN3)no2)cc1 ZINC000842638000 1132447870 /nfs/dbraw/zinc/44/78/70/1132447870.db2.gz HPLMDJVRXGLJBK-SMDDNHRTSA-N 0 1 271.364 3.675 20 0 CHADMN COCc1ccc(CN(Cc2ccco2)C2CC2)cc1 ZINC001232301801 1132450481 /nfs/dbraw/zinc/45/04/81/1132450481.db2.gz AIINWJWQVONAIU-UHFFFAOYSA-N 0 1 271.360 3.591 20 0 CHADMN CCOc1ncc(CN(C)C/C=C/c2ccccc2)cc1C ZINC001232307064 1132453027 /nfs/dbraw/zinc/45/30/27/1132453027.db2.gz PNIRXJVINWJILN-DHZHZOJOSA-N 0 1 296.414 3.934 20 0 CHADMN Cc1ccccc1C1(NCc2ccc(F)nc2C)CC1 ZINC000842732260 1132455361 /nfs/dbraw/zinc/45/53/61/1132455361.db2.gz KMHBEAKTVUGRHD-UHFFFAOYSA-N 0 1 270.351 3.616 20 0 CHADMN COc1cc(C)c(CN2Cc3ccccc3[C@@H](C)C2)cn1 ZINC001232348480 1132457714 /nfs/dbraw/zinc/45/77/14/1132457714.db2.gz JKDXUTHPXRLQBK-AWEZNQCLSA-N 0 1 282.387 3.518 20 0 CHADMN CSc1cc(C)c(CN(C)Cc2ccc(F)cc2)cn1 ZINC001232346808 1132458638 /nfs/dbraw/zinc/45/86/38/1132458638.db2.gz ZRSTXEBBPIGSQG-UHFFFAOYSA-N 0 1 290.407 3.883 20 0 CHADMN CCOc1ccc(OC)cc1CN1CC(c2ccccc2)C1 ZINC001232384594 1132461557 /nfs/dbraw/zinc/46/15/57/1132461557.db2.gz AOPOHBAYRKEZJO-UHFFFAOYSA-N 0 1 297.398 3.693 20 0 CHADMN COCCN(C)Cc1cc(C)ccc1OCc1ccccc1 ZINC001232375133 1132462349 /nfs/dbraw/zinc/46/23/49/1132462349.db2.gz DNSKYVOLWRZYFB-UHFFFAOYSA-N 0 1 299.414 3.652 20 0 CHADMN Cc1cccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c1OC(C)C ZINC001232393762 1132463167 /nfs/dbraw/zinc/46/31/67/1132463167.db2.gz SHDGKHLDSJZJQN-HRCADAONSA-N 0 1 277.383 3.572 20 0 CHADMN COC[C@H]1CCCC[N@H+]1Cc1cccc(C)c1OC(C)C ZINC001232389819 1132463903 /nfs/dbraw/zinc/46/39/03/1132463903.db2.gz JUKKTLGFGPQDRR-QGZVFWFLSA-N 0 1 291.435 3.783 20 0 CHADMN COc1ccc(OC(C)C)c(C[N@H+]2CCC[C@@H](CF)C2)c1 ZINC001232391030 1132464073 /nfs/dbraw/zinc/46/40/73/1132464073.db2.gz RRIDGUYEQXSMTH-AWEZNQCLSA-N 0 1 295.398 3.664 20 0 CHADMN Cc1c(F)cc(C[N@H+]2CCC[C@@H](F)CC2)cc1F ZINC001232420316 1132468224 /nfs/dbraw/zinc/46/82/24/1132468224.db2.gz PIWOQNWBYHGHTN-GFCCVEGCSA-N 0 1 257.299 3.597 20 0 CHADMN Cc1c(F)cc(CN2CCC[C@@H](F)CC2)cc1F ZINC001232420316 1132468228 /nfs/dbraw/zinc/46/82/28/1132468228.db2.gz PIWOQNWBYHGHTN-GFCCVEGCSA-N 0 1 257.299 3.597 20 0 CHADMN CN(Cc1ccon1)[C@H]1CCCC2(CCCCC2)C1 ZINC001173344250 1132469680 /nfs/dbraw/zinc/46/96/80/1132469680.db2.gz SXFZWZSPZWDOQH-HNNXBMFYSA-N 0 1 262.397 4.000 20 0 CHADMN Cc1c(F)cc(CN2CC[C@@H](c3ccccn3)C2)cc1F ZINC001232423769 1132469992 /nfs/dbraw/zinc/46/99/92/1132469992.db2.gz WBFNHSDEYLDGNP-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN C[C@@H]1CN(Cc2cc(OCc3ccccc3)no2)C2(CC2)C1 ZINC001232450020 1132471244 /nfs/dbraw/zinc/47/12/44/1132471244.db2.gz OJQOEKQCYYAWHJ-AWEZNQCLSA-N 0 1 298.386 3.628 20 0 CHADMN COc1ccc([C@H](CC(C)C)N[C@@H]2CCn3ccnc32)cc1 ZINC000842871761 1132473812 /nfs/dbraw/zinc/47/38/12/1132473812.db2.gz SGLDXPCBCAUKOD-SJORKVTESA-N 0 1 299.418 3.714 20 0 CHADMN Cc1cc(Br)c(CN2C[C@H]3CC[C@@H]2C3)cc1F ZINC001232468743 1132475117 /nfs/dbraw/zinc/47/51/17/1132475117.db2.gz WKTRKJZDHPMRIB-CMPLNLGQSA-N 0 1 298.199 3.881 20 0 CHADMN CCc1csc(CN2CCC3(CC[C@H](F)C3)CC2)n1 ZINC001232475774 1132476273 /nfs/dbraw/zinc/47/62/73/1132476273.db2.gz REZZRBYZVFXARY-LBPRGKRZSA-N 0 1 282.428 3.810 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cc(F)ccc1N ZINC001232512432 1132481491 /nfs/dbraw/zinc/48/14/91/1132481491.db2.gz RGQSANHRIYORRY-UHFFFAOYSA-N 0 1 276.330 3.569 20 0 CHADMN CCOCC1CCN(Cc2ccc(Cl)cc2OC)CC1 ZINC001232501277 1132482467 /nfs/dbraw/zinc/48/24/67/1132482467.db2.gz PZAUVBCCRDCDMQ-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN Cc1c(Br)cncc1CN1CCC[C@@H](C)[C@@H]1C ZINC001232532028 1132483716 /nfs/dbraw/zinc/48/37/16/1132483716.db2.gz AOQGPJOGXZVMLK-PWSUYJOCSA-N 0 1 297.240 3.773 20 0 CHADMN CC1(C)CN(Cc2cc3ccoc3cn2)CCC1(F)F ZINC001232549135 1132486478 /nfs/dbraw/zinc/48/64/78/1132486478.db2.gz BLGMCWPUCPRPPL-UHFFFAOYSA-N 0 1 280.318 3.695 20 0 CHADMN O=C1CCC2(CC1)CCN(Cc1cc3ccoc3cn1)CC2 ZINC001232557588 1132487168 /nfs/dbraw/zinc/48/71/68/1132487168.db2.gz YJYNQLVAVCWLRL-UHFFFAOYSA-N 0 1 298.386 3.553 20 0 CHADMN COC1CN([C@H](C)CCc2ccc(Cl)c(Cl)c2)C1 ZINC001173546062 1132490698 /nfs/dbraw/zinc/49/06/98/1132490698.db2.gz FOZMPZWSQXORKH-SNVBAGLBSA-N 0 1 288.218 3.645 20 0 CHADMN Fc1ccc([C@@H]2CCCN2Cc2ccc3nccn3c2)cc1 ZINC001143019060 1132493830 /nfs/dbraw/zinc/49/38/30/1132493830.db2.gz VCPUFUKYHZURTJ-KRWDZBQOSA-N 0 1 295.361 3.811 20 0 CHADMN CC(C)CN(Cc1c(Cl)ccnc1F)CC(C)C ZINC001232613809 1132493920 /nfs/dbraw/zinc/49/39/20/1132493920.db2.gz GXLVRXXXGVVWKT-UHFFFAOYSA-N 0 1 272.795 3.988 20 0 CHADMN C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c([O-])c1Cl ZINC001232624448 1132497501 /nfs/dbraw/zinc/49/75/01/1132497501.db2.gz PMUIEJYILOFXJP-MRVPVSSYSA-N 0 1 260.164 3.683 20 0 CHADMN C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c([O-])c1Cl ZINC001232624448 1132497507 /nfs/dbraw/zinc/49/75/07/1132497507.db2.gz PMUIEJYILOFXJP-MRVPVSSYSA-N 0 1 260.164 3.683 20 0 CHADMN CC(C)[C@@H](N)c1noc(/C(F)=C\C2CCCCC2)n1 ZINC000843152210 1132497764 /nfs/dbraw/zinc/49/77/64/1132497764.db2.gz HWUQQZUNUADXMR-JATZPVMKSA-N 0 1 267.348 3.616 20 0 CHADMN CC[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232629672 1132499151 /nfs/dbraw/zinc/49/91/51/1132499151.db2.gz VWPWNVKVNZNZQY-SECBINFHSA-N 0 1 274.191 3.931 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2csc3c2CC[C@H](C)C3)n1 ZINC000843146486 1132499189 /nfs/dbraw/zinc/49/91/89/1132499189.db2.gz IYQPFVICCKQOQZ-ZANVPECISA-N 0 1 291.420 3.579 20 0 CHADMN CCC[C@H](C)c1noc([C@H](CC(C)(C)C)NC)n1 ZINC000843182156 1132500643 /nfs/dbraw/zinc/50/06/43/1132500643.db2.gz KUYDGDIKKMEDDH-QWRGUYRKSA-N 0 1 253.390 3.670 20 0 CHADMN c1cnc2c(c1)CCN(Cc1cccc3c1CCCC3)C2 ZINC001232638505 1132500854 /nfs/dbraw/zinc/50/08/54/1132500854.db2.gz JTVXVDBACNESAV-UHFFFAOYSA-N 0 1 278.399 3.519 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2ccc(OC(C)C)cc2)no1 ZINC000843180872 1132500935 /nfs/dbraw/zinc/50/09/35/1132500935.db2.gz TWXJOXCBSRHUKM-LBPRGKRZSA-N 0 1 289.379 3.584 20 0 CHADMN c1cnc2c(c1)CN(Cc1cccc3c1CCCC3)CC2 ZINC001232638777 1132501251 /nfs/dbraw/zinc/50/12/51/1132501251.db2.gz NQEHOUWISIBZPN-UHFFFAOYSA-N 0 1 278.399 3.519 20 0 CHADMN Cc1nc(CN2C[C@@H](C)C[C@H](C)C2)ccc1Br ZINC001232665696 1132503355 /nfs/dbraw/zinc/50/33/55/1132503355.db2.gz PMOQZWSIUSBSQL-QWRGUYRKSA-N 0 1 297.240 3.630 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(Br)[nH]2)c1 ZINC001232684646 1132504949 /nfs/dbraw/zinc/50/49/49/1132504949.db2.gz UOZBXVJZKFLKHQ-UHFFFAOYSA-N 0 1 293.208 3.718 20 0 CHADMN CN(CCC(C)(C)C)Cc1ccnc(Cl)c1F ZINC000843424936 1132531997 /nfs/dbraw/zinc/53/19/97/1132531997.db2.gz AMZDEKKIOWPZHH-UHFFFAOYSA-N 0 1 258.768 3.742 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1ccc(Br)[nH]1 ZINC001232687576 1132506711 /nfs/dbraw/zinc/50/67/11/1132506711.db2.gz HHLUKMXHAFOKQN-GFCCVEGCSA-N 0 1 285.229 3.932 20 0 CHADMN Brc1ccc(CN2CCCCCCCC2)[nH]1 ZINC001232689398 1132507238 /nfs/dbraw/zinc/50/72/38/1132507238.db2.gz HFGWKXHTMDADQP-UHFFFAOYSA-N 0 1 285.229 3.933 20 0 CHADMN CSc1ccc(Nc2ccc3nccn3c2)cc1 ZINC001173812058 1132516738 /nfs/dbraw/zinc/51/67/38/1132516738.db2.gz SWAAIZGDMIVONS-UHFFFAOYSA-N 0 1 255.346 3.800 20 0 CHADMN COc1ccc2cc(CN3CC[C@H](C)C3)c(Cl)nc2c1 ZINC000040718151 1132518045 /nfs/dbraw/zinc/51/80/45/1132518045.db2.gz BHONKQIROUSPFF-NSHDSACASA-N 0 1 290.794 3.739 20 0 CHADMN c1c2cccnc2[nH]c1CN1CC[C@@H]1c1ccccc1 ZINC001143222741 1132520811 /nfs/dbraw/zinc/52/08/11/1132520811.db2.gz BHJMGKVBMVLGIF-MRXNPFEDSA-N 0 1 263.344 3.510 20 0 CHADMN FC(F)c1ccc(CN2CC3(C2)C[C@@H](F)CS3)cc1 ZINC001143252262 1132523937 /nfs/dbraw/zinc/52/39/37/1132523937.db2.gz XJGPTQTXLLMCOG-GFCCVEGCSA-N 0 1 287.350 3.654 20 0 CHADMN COc1cc(O)cc(CN(C)Cc2cccc(Cl)c2)c1 ZINC001232803250 1132524538 /nfs/dbraw/zinc/52/45/38/1132524538.db2.gz JMNJCJINXHRENL-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN CCOc1ccc(CN2CC[C@H](C)C[C@@H]2C)c(F)c1F ZINC001143276203 1132528258 /nfs/dbraw/zinc/52/82/58/1132528258.db2.gz IUPIUWYFCGVATM-RYUDHWBXSA-N 0 1 283.362 3.984 20 0 CHADMN COc1cc(CN2CCCCC23CC3)c(OC)cc1C ZINC001232833528 1132528802 /nfs/dbraw/zinc/52/88/02/1132528802.db2.gz ANIYEVKYISQUKC-UHFFFAOYSA-N 0 1 275.392 3.531 20 0 CHADMN Cc1ccccc1CN(C)Cc1cc(Br)co1 ZINC001232854291 1132531153 /nfs/dbraw/zinc/53/11/53/1132531153.db2.gz KEJOQMFBDWWVNU-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN CCN(Cc1c(OC)ccc(F)c1C(F)(F)F)C1CC1 ZINC001143295649 1132532496 /nfs/dbraw/zinc/53/24/96/1132532496.db2.gz NEJUHRYRVIJTNK-UHFFFAOYSA-N 0 1 291.288 3.837 20 0 CHADMN Oc1ccc2[nH]cc(CN3C4CCCC3CCC4)c2c1 ZINC001232867766 1132533305 /nfs/dbraw/zinc/53/33/05/1132533305.db2.gz HEHCGPAVAAAXCC-UHFFFAOYSA-N 0 1 270.376 3.781 20 0 CHADMN COc1c(F)ccc(CN2CCC[C@@H]3CCC[C@@H]32)c1F ZINC001143321511 1132537333 /nfs/dbraw/zinc/53/73/33/1132537333.db2.gz JKTPPTUOZRAUQH-FZMZJTMJSA-N 0 1 281.346 3.738 20 0 CHADMN Cc1cc(O)cc(CN2CC[C@H]2c2ccccc2)c1 ZINC001232885870 1132537676 /nfs/dbraw/zinc/53/76/76/1132537676.db2.gz NIZIWFRYCVILMZ-KRWDZBQOSA-N 0 1 253.345 3.648 20 0 CHADMN c1ccc(-c2cncc(CN3CC4(CCC4)C3)c2)cc1 ZINC001232898554 1132539833 /nfs/dbraw/zinc/53/98/33/1132539833.db2.gz FPJJNFPTJVKJDE-UHFFFAOYSA-N 0 1 264.372 3.735 20 0 CHADMN Cc1cc(CN2CCCCCCC2)ncc1Br ZINC001232906589 1132540469 /nfs/dbraw/zinc/54/04/69/1132540469.db2.gz GXHOFBOQAOWLJD-UHFFFAOYSA-N 0 1 297.240 3.919 20 0 CHADMN c1ccn(-c2ccccc2CN2CCc3occc3C2)c1 ZINC001232911938 1132541890 /nfs/dbraw/zinc/54/18/90/1132541890.db2.gz FLVIJDWEDFKMQB-UHFFFAOYSA-N 0 1 278.355 3.629 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2ccc3ncoc3c2)C1 ZINC001232938724 1132545645 /nfs/dbraw/zinc/54/56/45/1132545645.db2.gz XTMSCAIIJXFXCC-OAHLLOKOSA-N 0 1 262.328 3.542 20 0 CHADMN [O-]c1c(F)ccc(C[N@H+]2CCC23CCCCC3)c1F ZINC001232932503 1132546195 /nfs/dbraw/zinc/54/61/95/1132546195.db2.gz ZVYZTNVDMJTNSA-UHFFFAOYSA-N 0 1 267.319 3.579 20 0 CHADMN c1nc2ccc(CN3CCC[C@@H]3c3ccncc3)cc2o1 ZINC001232942482 1132548422 /nfs/dbraw/zinc/54/84/22/1132548422.db2.gz ZRAQPPIVNUWSDH-MRXNPFEDSA-N 0 1 279.343 3.560 20 0 CHADMN C[C@@H]1CN(Cc2cc(O)cc(Br)c2)C2(CC2)C1 ZINC001232999349 1132560612 /nfs/dbraw/zinc/56/06/12/1132560612.db2.gz CYRRFIGALYLFND-JTQLQIEISA-N 0 1 296.208 3.529 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(O)cc(Br)c1 ZINC001232998981 1132560749 /nfs/dbraw/zinc/56/07/49/1132560749.db2.gz MARLQHRTEQDRSH-CYBMUJFWSA-N 0 1 298.224 3.919 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cnc(C)cc1C ZINC001233009749 1132561807 /nfs/dbraw/zinc/56/18/07/1132561807.db2.gz LTWLHBMXEKNXPL-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCC[C@H](C)[C@@H]1C ZINC001233020583 1132564057 /nfs/dbraw/zinc/56/40/57/1132564057.db2.gz NPJVLAGDCRUDTF-RYUDHWBXSA-N 0 1 281.421 3.545 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCC[C@@H](C)[C@H]1C ZINC001233020584 1132565736 /nfs/dbraw/zinc/56/57/36/1132565736.db2.gz NPJVLAGDCRUDTF-VXGBXAGGSA-N 0 1 281.421 3.545 20 0 CHADMN COc1ccc(Nc2c(C)nc3ccc(F)cn32)cc1F ZINC001173863420 1132566011 /nfs/dbraw/zinc/56/60/11/1132566011.db2.gz KGQSZLSWTHDXLW-UHFFFAOYSA-N 0 1 289.285 3.673 20 0 CHADMN FC1(F)C[C@H]2CN(Cc3ccsc3Cl)C[C@H]2C1 ZINC001233053619 1132568312 /nfs/dbraw/zinc/56/83/12/1132568312.db2.gz OELCCJDADIRLHE-AOOOYVTPSA-N 0 1 277.767 3.879 20 0 CHADMN Cc1csc(NC(=O)c2cc3cc(Cl)c[nH]c-3n2)c1 ZINC001151297565 1132569290 /nfs/dbraw/zinc/56/92/90/1132569290.db2.gz WNZMLHJZTJKQOW-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1[nH]nc2cc(F)ccc21 ZINC001233126711 1132572041 /nfs/dbraw/zinc/57/20/41/1132572041.db2.gz NMOMAUJUKBJVJD-GFCCVEGCSA-N 0 1 295.361 3.649 20 0 CHADMN Fc1ccc2c(c1)n[nH]c2CN1CCC[C@@H]2CCCC[C@H]21 ZINC001233122598 1132572503 /nfs/dbraw/zinc/57/25/03/1132572503.db2.gz BXYCFQKPCPERNC-YVEFUNNKSA-N 0 1 287.382 3.857 20 0 CHADMN CCc1ccc(CN(C)Cc2cnc(C)c(C)c2)cc1 ZINC001233161161 1132573939 /nfs/dbraw/zinc/57/39/39/1132573939.db2.gz VJFCOEFAQUHFHF-UHFFFAOYSA-N 0 1 268.404 3.893 20 0 CHADMN Cc1cc(CN2CCSc3ccccc3C2)cnc1C ZINC001233162687 1132574091 /nfs/dbraw/zinc/57/40/91/1132574091.db2.gz JCLGFBJZVCEZPC-UHFFFAOYSA-N 0 1 284.428 3.806 20 0 CHADMN Cc1cc(NC=Cc2ccccc2)n(-c2ccncc2)n1 ZINC001173871454 1132574092 /nfs/dbraw/zinc/57/40/92/1132574092.db2.gz HWMKCBJTBQAZJC-KPKJPENVSA-N 0 1 276.343 3.659 20 0 CHADMN CCc1ccc(CN(C)Cc2[nH]nc3cc(F)ccc32)cc1 ZINC001233127588 1132574213 /nfs/dbraw/zinc/57/42/13/1132574213.db2.gz YTIIUFZSNSJKLR-UHFFFAOYSA-N 0 1 297.377 3.896 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1cnc(C)c(C)c1 ZINC001233160566 1132574337 /nfs/dbraw/zinc/57/43/37/1132574337.db2.gz ACTVALFQQNVGEY-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN CCOc1ncc(Cl)cc1CN1C[C@H]2CCCC[C@@H]2C1 ZINC001233167438 1132577358 /nfs/dbraw/zinc/57/73/58/1132577358.db2.gz OIDNLIRBDGPNEQ-CHWSQXEVSA-N 0 1 294.826 3.756 20 0 CHADMN Cc1cccc2nc(C(=O)NC(C)(C)CC(C)(C)C)[nH]c21 ZINC001151994047 1132577964 /nfs/dbraw/zinc/57/79/64/1132577964.db2.gz NVHZZPCSMPYEGN-UHFFFAOYSA-N 0 1 287.407 3.816 20 0 CHADMN Clc1ccc(-c2ccc(CN3C[C@@H]4C[C@H]3CO4)cc2)cc1 ZINC001233220768 1132581940 /nfs/dbraw/zinc/58/19/40/1132581940.db2.gz XYQAUPFMZAFIQU-ROUUACIJSA-N 0 1 299.801 3.980 20 0 CHADMN Cc1c(Br)ccc(CN2CC3CC(C3)C2)c1C ZINC001233222337 1132581956 /nfs/dbraw/zinc/58/19/56/1132581956.db2.gz PFJVDMKCPCARTC-UHFFFAOYSA-N 0 1 294.236 3.908 20 0 CHADMN CCN(CCc1ccc(OC)cc1)Cc1nc(C)cs1 ZINC001204380594 1132586526 /nfs/dbraw/zinc/58/65/26/1132586526.db2.gz HTVWUBWRZKSQIG-UHFFFAOYSA-N 0 1 290.432 3.525 20 0 CHADMN Cc1ccc(Cl)cc1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001233248616 1132588253 /nfs/dbraw/zinc/58/82/53/1132588253.db2.gz RTLNKAVOMORXPA-YPMHNXCESA-N 0 1 271.738 3.735 20 0 CHADMN C[N@H+](Cc1cnc(Cl)s1)Cc1ccc([S-])cc1 ZINC001233259038 1132590177 /nfs/dbraw/zinc/59/01/77/1132590177.db2.gz DHZOFIYOXMLMAH-UHFFFAOYSA-N 0 1 284.837 3.717 20 0 CHADMN C[N@@H+](Cc1cnc(Cl)s1)Cc1ccc([S-])cc1 ZINC001233259038 1132590182 /nfs/dbraw/zinc/59/01/82/1132590182.db2.gz DHZOFIYOXMLMAH-UHFFFAOYSA-N 0 1 284.837 3.717 20 0 CHADMN [S-]c1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC001233261267 1132590247 /nfs/dbraw/zinc/59/02/47/1132590247.db2.gz IQMLHWHMQOVDAB-INIZCTEOSA-N 0 1 285.412 3.629 20 0 CHADMN C[N@@H+](CCc1cccs1)Cc1ccc([S-])cc1 ZINC001233261510 1132590480 /nfs/dbraw/zinc/59/04/80/1132590480.db2.gz RMOOZBLNRKNYQP-UHFFFAOYSA-N 0 1 263.431 3.711 20 0 CHADMN [S-]c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC001233258862 1132591021 /nfs/dbraw/zinc/59/10/21/1132591021.db2.gz XHTXAEZLUXDXTL-UHFFFAOYSA-N 0 1 255.386 3.534 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)c2n[nH]c3cccnc32)cc1 ZINC001153145985 1132591453 /nfs/dbraw/zinc/59/14/53/1132591453.db2.gz VESFUNRBQBASIN-NSHDSACASA-N 0 1 294.358 3.724 20 0 CHADMN C[N@@H+](CCc1cccc(F)c1)Cc1ccc([S-])cc1 ZINC001233262674 1132593302 /nfs/dbraw/zinc/59/33/02/1132593302.db2.gz PZWKDDOHZULSOO-UHFFFAOYSA-N 0 1 275.392 3.789 20 0 CHADMN Fc1ccc2c(c1)C[N@H+](Cc1ccc([S-])cc1)CC2 ZINC001233262102 1132593696 /nfs/dbraw/zinc/59/36/96/1132593696.db2.gz QPZAWMBBDCHHJJ-UHFFFAOYSA-N 0 1 273.376 3.673 20 0 CHADMN COc1ccccc1Nc1c(C)nc2ccc(F)cn21 ZINC001173839712 1132593877 /nfs/dbraw/zinc/59/38/77/1132593877.db2.gz VAJWETYGXYXZMV-UHFFFAOYSA-N 0 1 271.295 3.534 20 0 CHADMN COc1ccccc1[C@@H]1CCCN1Cc1sncc1C ZINC001233320855 1132599389 /nfs/dbraw/zinc/59/93/89/1132599389.db2.gz PYQQPUHHZNJYHE-AWEZNQCLSA-N 0 1 288.416 3.797 20 0 CHADMN Cc1cnsc1CN(C)CCc1ccccc1Cl ZINC001233321329 1132601079 /nfs/dbraw/zinc/60/10/79/1132601079.db2.gz JOTHPQPUZWBQDW-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN Cc1cnsc1CN(C)[C@H]1CCc2ccccc21 ZINC001233323326 1132602388 /nfs/dbraw/zinc/60/23/88/1132602388.db2.gz QFXFDNKRNZLRRM-AWEZNQCLSA-N 0 1 258.390 3.571 20 0 CHADMN CC1(C)COCCN1Cc1ccc(Cc2ccccc2)cc1 ZINC001233331359 1132604247 /nfs/dbraw/zinc/60/42/47/1132604247.db2.gz RTXXJIGHLHJHAO-UHFFFAOYSA-N 0 1 295.426 3.888 20 0 CHADMN CC(=O)c1cccc(Nc2ccccc2CN(C)C)c1 ZINC001173901322 1132605216 /nfs/dbraw/zinc/60/52/16/1132605216.db2.gz AWSDFNCRIDSLOX-UHFFFAOYSA-N 0 1 268.360 3.694 20 0 CHADMN COc1cc(F)c(CN2CCC[C@@H](C)[C@@H]2C)cc1F ZINC001233343649 1132607018 /nfs/dbraw/zinc/60/70/18/1132607018.db2.gz UZRHPDFJFCAEAP-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN CC1(C)CN(Cc2cc3cccnc3s2)CC(C)(C)O1 ZINC001233349471 1132607400 /nfs/dbraw/zinc/60/74/00/1132607400.db2.gz UOGOXXHWTXVTIB-UHFFFAOYSA-N 0 1 290.432 3.686 20 0 CHADMN Clc1cccc2ncc(C[N@H+]3CCC4(CCCC4)C3)n21 ZINC001233358435 1132609755 /nfs/dbraw/zinc/60/97/55/1132609755.db2.gz HHAWCBNAGUMQKM-UHFFFAOYSA-N 0 1 289.810 3.754 20 0 CHADMN Clc1cccc2ncc(CN3CCC4(CCCC4)C3)n21 ZINC001233358435 1132609756 /nfs/dbraw/zinc/60/97/56/1132609756.db2.gz HHAWCBNAGUMQKM-UHFFFAOYSA-N 0 1 289.810 3.754 20 0 CHADMN Clc1cccc2ncc(CN3CCCC4(CCC4)C3)n21 ZINC001233359923 1132610129 /nfs/dbraw/zinc/61/01/29/1132610129.db2.gz QIYYAMXBFWETGB-UHFFFAOYSA-N 0 1 289.810 3.754 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cnc2cccc(Cl)n12 ZINC001233359476 1132610647 /nfs/dbraw/zinc/61/06/47/1132610647.db2.gz XVOWIEDYXKGBDH-GFCCVEGCSA-N 0 1 277.799 3.752 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1cccc2nccn21 ZINC001233363676 1132611112 /nfs/dbraw/zinc/61/11/12/1132611112.db2.gz UCBFNZMDIFVIPQ-CQSZACIVSA-N 0 1 295.386 3.536 20 0 CHADMN Cc1ncc(CN(Cc2ccccn2)C2CCCCC2)o1 ZINC001233367571 1132611382 /nfs/dbraw/zinc/61/13/82/1132611382.db2.gz QYWOVCJVUHLFOX-UHFFFAOYSA-N 0 1 285.391 3.713 20 0 CHADMN Nc1cccc(CN2CCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC001233371198 1132612453 /nfs/dbraw/zinc/61/24/53/1132612453.db2.gz DVSBAXLVSUIVDQ-OAHLLOKOSA-N 0 1 287.794 3.654 20 0 CHADMN Clc1ccn2cc(CN3CCCC4(CCC4)C3)nc2c1 ZINC001233392764 1132616086 /nfs/dbraw/zinc/61/60/86/1132616086.db2.gz MZGHDDZYIYWMTQ-UHFFFAOYSA-N 0 1 289.810 3.754 20 0 CHADMN COc1ccc(CN2CC[C@H](C)C[C@@H]2C)c(Cl)c1O ZINC001233400700 1132616701 /nfs/dbraw/zinc/61/67/01/1132616701.db2.gz UJZITSFHTILFEN-QWRGUYRKSA-N 0 1 283.799 3.675 20 0 CHADMN [O-]c1ccc(F)c(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c1F ZINC001233395986 1132617219 /nfs/dbraw/zinc/61/72/19/1132617219.db2.gz CPPQMYDSEFDJDL-RISCZKNCSA-N 0 1 281.346 3.825 20 0 CHADMN [O-]c1ccc(F)c(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c1F ZINC001233395986 1132617223 /nfs/dbraw/zinc/61/72/23/1132617223.db2.gz CPPQMYDSEFDJDL-RISCZKNCSA-N 0 1 281.346 3.825 20 0 CHADMN C[C@H]1CCCN(Cc2cn3cccc(Cl)c3n2)C[C@H]1C ZINC001233420227 1132620939 /nfs/dbraw/zinc/62/09/39/1132620939.db2.gz DPZMELPSQVGQGO-QWHCGFSZSA-N 0 1 291.826 3.856 20 0 CHADMN CC(=O)c1sc(C(C)(C)C)cc1Nc1ccncc1 ZINC001173879398 1132621855 /nfs/dbraw/zinc/62/18/55/1132621855.db2.gz NAIXKDZFJOYSGP-UHFFFAOYSA-N 0 1 274.389 3.809 20 0 CHADMN CC(C)(C)OC(=O)n1ccc(CN2CCCCC23CC3)c1 ZINC001233433383 1132622312 /nfs/dbraw/zinc/62/23/12/1132622312.db2.gz ZRCQPWUBDKXDQG-UHFFFAOYSA-N 0 1 290.407 3.790 20 0 CHADMN c1ccc(COc2cccc(Nc3ccncc3)c2)cc1 ZINC001173882185 1132623164 /nfs/dbraw/zinc/62/31/64/1132623164.db2.gz BRFMHYMEHOPIDR-UHFFFAOYSA-N 0 1 276.339 3.826 20 0 CHADMN Clc1cnc(Cl)c(Cl)c1Nc1ccncc1 ZINC001173881113 1132623299 /nfs/dbraw/zinc/62/32/99/1132623299.db2.gz AWJBVOQFRPCKRH-UHFFFAOYSA-N 0 1 274.538 3.602 20 0 CHADMN COc1ccc(-c2ccccc2)cc1Nc1ccncc1 ZINC001173882417 1132623468 /nfs/dbraw/zinc/62/34/68/1132623468.db2.gz JBAIUQURSSVHIG-UHFFFAOYSA-N 0 1 276.339 3.923 20 0 CHADMN Cc1c(-c2ccccc2)nsc1Nc1ccncc1 ZINC001173882047 1132623928 /nfs/dbraw/zinc/62/39/28/1132623928.db2.gz IHBPWDNGLGVZPV-UHFFFAOYSA-N 0 1 267.357 3.679 20 0 CHADMN Cc1nc(-c2cccc(Nc3ccncc3)c2)cs1 ZINC001173882491 1132624210 /nfs/dbraw/zinc/62/42/10/1132624210.db2.gz MYZFJYZZMGROIH-UHFFFAOYSA-N 0 1 267.357 3.679 20 0 CHADMN Clc1cccc2nc(CN3CCC4(CCC4)CC3)cn21 ZINC001233564246 1132638593 /nfs/dbraw/zinc/63/85/93/1132638593.db2.gz WDTDEBZAHPYDGM-UHFFFAOYSA-N 0 1 289.810 3.754 20 0 CHADMN CC(=O)c1ccc(F)cc1Nc1ccccc1CN(C)C ZINC001173930782 1132644125 /nfs/dbraw/zinc/64/41/25/1132644125.db2.gz PMLYZSNDLBKXBV-UHFFFAOYSA-N 0 1 286.350 3.834 20 0 CHADMN CC(=O)c1ccccc1Nc1ccccc1CN(C)C ZINC001173930836 1132644489 /nfs/dbraw/zinc/64/44/89/1132644489.db2.gz ADPZPNZLJKDAHO-UHFFFAOYSA-N 0 1 268.360 3.694 20 0 CHADMN Cc1nc(C2CC2)nc(Cl)c1NC(=N)C(C)(C)C ZINC001155181274 1132646686 /nfs/dbraw/zinc/64/66/86/1132646686.db2.gz CWLWMJPWAZERTC-UHFFFAOYSA-N 0 1 266.776 3.751 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1cn2c(cccc2Cl)n1 ZINC001233609058 1132648496 /nfs/dbraw/zinc/64/84/96/1132648496.db2.gz PQKOSSPEAGYPCR-CYBMUJFWSA-N 0 1 277.799 3.608 20 0 CHADMN CCOC(CCCNc1ccc2c(n1)CCCC2)OCC ZINC001155722373 1132665168 /nfs/dbraw/zinc/66/51/68/1132665168.db2.gz ULVDXSNHIMNBQS-UHFFFAOYSA-N 0 1 292.423 3.552 20 0 CHADMN Cn1c(CNc2ccc3c(n2)CCC3)cc2ccccc21 ZINC001156015214 1132675940 /nfs/dbraw/zinc/67/59/40/1132675940.db2.gz PNJOAORXRGQHBU-UHFFFAOYSA-N 0 1 277.371 3.674 20 0 CHADMN COc1cc2ccnc(N3C[C@@H](C)CC34CC4)c2cc1OC ZINC001156420288 1132694771 /nfs/dbraw/zinc/69/47/71/1132694771.db2.gz QWAGNNZEZGRLHV-LBPRGKRZSA-N 0 1 298.386 3.631 20 0 CHADMN CCC(C)=CC(=O)Nc1ccccc1Nc1ccncc1 ZINC001156432382 1132696438 /nfs/dbraw/zinc/69/64/38/1132696438.db2.gz RZBAYUCVFWAJOE-SEYXRHQNSA-N 0 1 281.359 3.542 20 0 CHADMN CC(C)c1ncc(CNC(=O)[C@@H](c2ccccc2)C(C)C)[nH]1 ZINC001157119575 1132722760 /nfs/dbraw/zinc/72/27/60/1132722760.db2.gz NABGYERJXXIXJC-MRXNPFEDSA-N 0 1 299.418 3.589 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)C=C2CCCCC2)n[nH]1 ZINC001157193317 1132723837 /nfs/dbraw/zinc/72/38/37/1132723837.db2.gz IMFZCBCKNRDIRR-INIZCTEOSA-N 0 1 287.407 3.662 20 0 CHADMN Cc1cc2ccccc2c(N2CCc3ccc(N)cc3C2)n1 ZINC001157225037 1132725400 /nfs/dbraw/zinc/72/54/00/1132725400.db2.gz FHBAOBCUHMZQII-UHFFFAOYSA-N 0 1 289.382 3.688 20 0 CHADMN N=C(N)N(c1ccc(F)cc1)c1nccc2ccc(F)cc21 ZINC001157226064 1132725621 /nfs/dbraw/zinc/72/56/21/1132725621.db2.gz KZSLDTQYMZDJGD-UHFFFAOYSA-N 0 1 298.296 3.545 20 0 CHADMN C/C(=C\C(=O)Nc1ccc2cncn2c1)c1ccc(F)cc1 ZINC001157389235 1132731559 /nfs/dbraw/zinc/73/15/59/1132731559.db2.gz UKQCRYBMCJLKDV-XYOKQWHBSA-N 0 1 295.317 3.515 20 0 CHADMN Cc1cc2ccccc2c(NC[C@H]2CC(C)(C)O2)n1 ZINC001157661435 1132737426 /nfs/dbraw/zinc/73/74/26/1132737426.db2.gz UOOJLMMYJOKHMG-CYBMUJFWSA-N 0 1 256.349 3.523 20 0 CHADMN COc1ccc2c(ccnc2NC2CCC(OC)CC2)c1 ZINC001157804729 1132744468 /nfs/dbraw/zinc/74/44/68/1132744468.db2.gz PDPIMQRRZYUOBQ-UHFFFAOYSA-N 0 1 286.375 3.613 20 0 CHADMN Cn1cncc1Nc1cc(F)ccc1OCc1ccccc1 ZINC001174120482 1132752715 /nfs/dbraw/zinc/75/27/15/1132752715.db2.gz GBQKKAUGLIZRIW-UHFFFAOYSA-N 0 1 297.333 3.882 20 0 CHADMN CC1(C)CCc2cc(-n3c(N)nc4ccccc43)ccc2O1 ZINC001213012119 1132758293 /nfs/dbraw/zinc/75/82/93/1132758293.db2.gz WOQBWXDRBUHNGL-UHFFFAOYSA-N 0 1 293.370 3.711 20 0 CHADMN CCCn1cc(Nc2ccncc2Oc2ccccc2)cn1 ZINC001174217171 1132762422 /nfs/dbraw/zinc/76/24/22/1132762422.db2.gz GTQVWMDQGKASIK-UHFFFAOYSA-N 0 1 294.358 3.646 20 0 CHADMN Cc1ccc2cccc(Nc3ccc4nccn4c3)c2n1 ZINC001174279068 1132768978 /nfs/dbraw/zinc/76/89/78/1132768978.db2.gz MHZAFDBBRQYPBO-UHFFFAOYSA-N 0 1 274.327 3.935 20 0 CHADMN Clc1cc2ncoc2c(Nc2ccc3nccn3c2)c1 ZINC001174279954 1132769876 /nfs/dbraw/zinc/76/98/76/1132769876.db2.gz LJHXRRHOXWQMHN-UHFFFAOYSA-N 0 1 284.706 3.873 20 0 CHADMN Fc1cncc2cccc(Nc3ccc4nccn4c3)c12 ZINC001174279689 1132769904 /nfs/dbraw/zinc/76/99/04/1132769904.db2.gz GVQMYTLHTZRCHC-UHFFFAOYSA-N 0 1 278.290 3.765 20 0 CHADMN COc1cncc(CCNc2nc(C)cc3ccccc32)c1 ZINC001158382357 1132772413 /nfs/dbraw/zinc/77/24/13/1132772413.db2.gz WLTBZPWXYQWTMQ-UHFFFAOYSA-N 0 1 293.370 3.601 20 0 CHADMN C[C@@H]1C[C@@H](Nc2nc(Cl)nc3[nH]cnc32)c2ccccc21 ZINC001158469513 1132777441 /nfs/dbraw/zinc/77/74/41/1132777441.db2.gz UARSACQBCJEBGM-LDYMZIIASA-N 0 1 299.765 3.667 20 0 CHADMN Fc1ccc(Cl)cc1Nc1ccc2nccn2c1 ZINC001174276608 1132784140 /nfs/dbraw/zinc/78/41/40/1132784140.db2.gz JUQIIMLPHLFRRM-UHFFFAOYSA-N 0 1 261.687 3.870 20 0 CHADMN Cc1cnc(NC[C@H](C)c2ccc(O)cc2)c(C)c1 ZINC001158605706 1132784261 /nfs/dbraw/zinc/78/42/61/1132784261.db2.gz COCCUJIBSUQJCY-ZDUSSCGKSA-N 0 1 256.349 3.620 20 0 CHADMN CC(C)c1cncc(Nc2ccc3nccn3c2)c1 ZINC001174278903 1132787534 /nfs/dbraw/zinc/78/75/34/1132787534.db2.gz RKJJUBZVEOVYGK-UHFFFAOYSA-N 0 1 252.321 3.596 20 0 CHADMN Fc1ccc(COc2ccc(Nc3ccncc3)cc2)cc1 ZINC001174317611 1132791865 /nfs/dbraw/zinc/79/18/65/1132791865.db2.gz UBQJXGMJVNONLV-UHFFFAOYSA-N 0 1 294.329 3.965 20 0 CHADMN CC(C)Oc1cccc(NC(=O)c2cccc3nc[nH]c32)c1 ZINC001158904686 1132796870 /nfs/dbraw/zinc/79/68/70/1132796870.db2.gz OLTOTRSPNMHPOP-UHFFFAOYSA-N 0 1 295.342 3.602 20 0 CHADMN Cc1cnc(Cl)c(Nc2cccc3[nH]ncc32)c1 ZINC001174342787 1132799940 /nfs/dbraw/zinc/79/99/40/1132799940.db2.gz OCFAAPUUCCTDDD-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1cc(Cl)ncc1Nc1cccc2[nH]ncc21 ZINC001174342093 1132800378 /nfs/dbraw/zinc/80/03/78/1132800378.db2.gz FIJPMMLVRZYWFI-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN FC(F)(F)c1cc(Nc2cccc3[nH]ncc32)ccn1 ZINC001174342025 1132800447 /nfs/dbraw/zinc/80/04/47/1132800447.db2.gz AYNLIFCOTCDLOO-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN Fc1ccc(F)c(Nc2cccc3[nH]ncc32)c1F ZINC001174343937 1132802754 /nfs/dbraw/zinc/80/27/54/1132802754.db2.gz GXWHQRLEVUGXOC-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN Nc1ccc(Cl)cc1Nc1cccc2[nH]ncc21 ZINC001174345511 1132804267 /nfs/dbraw/zinc/80/42/67/1132804267.db2.gz FTUDOAJQDAZBNK-UHFFFAOYSA-N 0 1 258.712 3.542 20 0 CHADMN Nc1cc(Cl)c(Cl)nc1Nc1cccc2[nH]ncc21 ZINC001174345128 1132804843 /nfs/dbraw/zinc/80/48/43/1132804843.db2.gz ZMVNWVMVNVSFAC-UHFFFAOYSA-N 0 1 294.145 3.591 20 0 CHADMN CC(=O)c1cccc(Nc2cccc3[nH]ncc32)c1C ZINC001174346687 1132805688 /nfs/dbraw/zinc/80/56/88/1132805688.db2.gz DTMQKTCRENXNMK-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN COc1ccc2cccnc2c1Nc1cccc2[nH]ncc21 ZINC001174346653 1132806363 /nfs/dbraw/zinc/80/63/63/1132806363.db2.gz CPONBDKDELGEKW-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN Cc1cc(Nc2c[nH]c3cnccc23)c2ccccc2n1 ZINC001159105021 1132806998 /nfs/dbraw/zinc/80/69/98/1132806998.db2.gz KZPUHQHDXZXHBL-UHFFFAOYSA-N 0 1 274.327 3.585 20 0 CHADMN Oc1cc(F)ccc1NC1=CCCN(Cc2ccccc2)C1 ZINC001174397378 1132811966 /nfs/dbraw/zinc/81/19/66/1132811966.db2.gz WOUZMPMJGAURMH-UHFFFAOYSA-N 0 1 298.361 3.733 20 0 CHADMN Cc1cccc(Nc2cc([C@@H]3CCCCN3)no2)c1C ZINC001159308525 1132827203 /nfs/dbraw/zinc/82/72/03/1132827203.db2.gz JSLVZQQJYSPEST-AWEZNQCLSA-N 0 1 271.364 3.850 20 0 CHADMN Cc1ccccc1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159308971 1132827330 /nfs/dbraw/zinc/82/73/30/1132827330.db2.gz PFUCQQROWINYQK-ZDUSSCGKSA-N 0 1 257.337 3.541 20 0 CHADMN Cc1cc(C)cc(Nc2cc([C@H]3CCCCN3)no2)c1 ZINC001159308156 1132827649 /nfs/dbraw/zinc/82/76/49/1132827649.db2.gz HNYNUQWEQOMOPL-CQSZACIVSA-N 0 1 271.364 3.850 20 0 CHADMN Cc1cc(C)cc(Nc2cc([C@@H]3CCCCN3)no2)c1 ZINC001159308155 1132827926 /nfs/dbraw/zinc/82/79/26/1132827926.db2.gz HNYNUQWEQOMOPL-AWEZNQCLSA-N 0 1 271.364 3.850 20 0 CHADMN Cc1ccc(Nc2cc([C@H]3CCCCN3)no2)c(C)c1 ZINC001159308131 1132827990 /nfs/dbraw/zinc/82/79/90/1132827990.db2.gz HBDFHYMGTIQZGO-CQSZACIVSA-N 0 1 271.364 3.850 20 0 CHADMN Cc1cc(F)c(Nc2cc([C@@H]3CCCCN3)no2)cc1F ZINC001159312214 1132829040 /nfs/dbraw/zinc/82/90/40/1132829040.db2.gz YYYKRJQYUYWGFB-LBPRGKRZSA-N 0 1 293.317 3.819 20 0 CHADMN Cc1ccc(Nc2cc([C@@H]3CCCCN3)no2)cc1F ZINC001159309891 1132829394 /nfs/dbraw/zinc/82/93/94/1132829394.db2.gz YXLKTYCKOULHGM-ZDUSSCGKSA-N 0 1 275.327 3.680 20 0 CHADMN Cc1cc(F)cc(Nc2cc([C@H]3CCCCN3)no2)c1 ZINC001159309894 1132830002 /nfs/dbraw/zinc/83/00/02/1132830002.db2.gz YZYVZYFDGQQSGX-CYBMUJFWSA-N 0 1 275.327 3.680 20 0 CHADMN COc1ccc2c(c1)C[C@@H](Nc1ncc(C)cc1C)CC2 ZINC001159359035 1132832981 /nfs/dbraw/zinc/83/29/81/1132832981.db2.gz AKKMQLYNEYYITH-INIZCTEOSA-N 0 1 282.387 3.676 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(F)cc1N ZINC001159442425 1132844616 /nfs/dbraw/zinc/84/46/16/1132844616.db2.gz LYVZZQKFCSUQED-UHFFFAOYSA-N 0 1 283.306 3.708 20 0 CHADMN c1cn2cc(Nc3cccc(N4CCCC4)c3)ccc2n1 ZINC001174487002 1132858757 /nfs/dbraw/zinc/85/87/57/1132858757.db2.gz ZZUDKVVYXSLSLK-UHFFFAOYSA-N 0 1 278.359 3.678 20 0 CHADMN Cc1nccn1-c1ccc(Nc2ccc3c[nH]nc3c2)cc1 ZINC001174500239 1132861530 /nfs/dbraw/zinc/86/15/30/1132861530.db2.gz MBAHDRVAKLHVPP-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN c1[nH]nc2cc(Nc3cnccc3C3CC3)ccc12 ZINC001174497914 1132863614 /nfs/dbraw/zinc/86/36/14/1132863614.db2.gz BDMYBZYARLHQCA-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN Cc1cc2c(ncnc2Nc2ccc3cn[nH]c3c2)s1 ZINC001174498263 1132863631 /nfs/dbraw/zinc/86/36/31/1132863631.db2.gz AVEXTNLYAWNQHL-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN c1[nH]nc2cc(Nc3cccnc3C3CC3)ccc12 ZINC001174498893 1132863892 /nfs/dbraw/zinc/86/38/92/1132863892.db2.gz VHMKIMFVQMUOKV-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN FC(F)(F)c1ncccc1Nc1ccc2c[nH]nc2c1 ZINC001174498389 1132864170 /nfs/dbraw/zinc/86/41/70/1132864170.db2.gz LAXHELZAXPHWKY-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN Fc1cc(F)c(Nc2cccc3[nH]ncc32)c(F)c1F ZINC001159574052 1132864217 /nfs/dbraw/zinc/86/42/17/1132864217.db2.gz IOMQHNMDRSJMEP-UHFFFAOYSA-N 0 1 281.212 3.863 20 0 CHADMN Cc1cc(Nc2ccc3c[nH]nc3c2)n(C(C)(C)C)n1 ZINC001174497862 1132864535 /nfs/dbraw/zinc/86/45/35/1132864535.db2.gz NDLYALKXSBCDBX-UHFFFAOYSA-N 0 1 269.352 3.566 20 0 CHADMN Fc1cc(Nc2cccc3[nH]ncc32)cc(C(F)(F)F)n1 ZINC001159574390 1132864530 /nfs/dbraw/zinc/86/45/30/1132864530.db2.gz GAIWPIAGSMJGFU-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Cc1cc(Nc2ccc3c[nH]nc3c2)cc(Cl)n1 ZINC001174497913 1132865102 /nfs/dbraw/zinc/86/51/02/1132865102.db2.gz BDIFRSZIQVZDNS-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN c1[nH]nc2cc(Nc3cncc4ccccc43)ccc12 ZINC001174498836 1132865360 /nfs/dbraw/zinc/86/53/60/1132865360.db2.gz JWHZJGBPSIIVQU-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN CSc1ncc(C)cc1Nc1cccc2[nH]ncc21 ZINC001159575293 1132865355 /nfs/dbraw/zinc/86/53/55/1132865355.db2.gz VNMZHCIMSXNZHC-UHFFFAOYSA-N 0 1 270.361 3.732 20 0 CHADMN O=C1CCCc2cc(Nc3cccc4[nH]ncc43)ccc21 ZINC001159575375 1132866725 /nfs/dbraw/zinc/86/67/25/1132866725.db2.gz ZKFJJCNJADVFMX-UHFFFAOYSA-N 0 1 277.327 3.826 20 0 CHADMN COc1c(C)cccc1Nc1cccc2[nH]ncc21 ZINC001159575367 1132867619 /nfs/dbraw/zinc/86/76/19/1132867619.db2.gz ZDCIBTMRKSLYLL-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cc1sccc1Nc1ccccc1N1CCN(C)CC1 ZINC001174459664 1132870429 /nfs/dbraw/zinc/87/04/29/1132870429.db2.gz FBEPDWOCBVAETR-UHFFFAOYSA-N 0 1 287.432 3.552 20 0 CHADMN O=c1[nH]c2ccc(Nc3ccc4c[nH]nc4c3)cc2s1 ZINC001174499859 1132873863 /nfs/dbraw/zinc/87/38/63/1132873863.db2.gz CWGKSBIJRYBVLD-UHFFFAOYSA-N 0 1 282.328 3.622 20 0 CHADMN Nc1cccc(Cl)c1Nc1cccc2[nH]ncc21 ZINC001159616055 1132875549 /nfs/dbraw/zinc/87/55/49/1132875549.db2.gz NCPGEKWHEWBOBZ-UHFFFAOYSA-N 0 1 258.712 3.542 20 0 CHADMN [O-]c1cc(F)c(Nc2ccc3c(c2)C[NH2+]CC3)cc1Cl ZINC001159615965 1132876490 /nfs/dbraw/zinc/87/64/90/1132876490.db2.gz WQSCKMRDGADDAN-UHFFFAOYSA-N 0 1 292.741 3.574 20 0 CHADMN CCOc1ccc(F)c(Nc2ccc3c[nH]nc3c2)c1F ZINC001159662059 1132885345 /nfs/dbraw/zinc/88/53/45/1132885345.db2.gz PWYSJFMRUNQQJF-UHFFFAOYSA-N 0 1 289.285 3.983 20 0 CHADMN Cn1cc(Nc2ccc3c[nH]nc3c2)c2ccccc21 ZINC001159662424 1132885742 /nfs/dbraw/zinc/88/57/42/1132885742.db2.gz XKGXHGWWPNFMRX-UHFFFAOYSA-N 0 1 262.316 3.798 20 0 CHADMN Oc1cc(Cl)cc(Nc2ccc3c[nH]nc3c2)c1 ZINC001159661787 1132886137 /nfs/dbraw/zinc/88/61/37/1132886137.db2.gz GBTFGTLRCMKHIC-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cc(C)cc(F)c1 ZINC001174530037 1132892032 /nfs/dbraw/zinc/89/20/32/1132892032.db2.gz QGVZVIBSHGDBJC-UHFFFAOYSA-N 0 1 273.286 3.973 20 0 CHADMN Cc1cc(Nc2cc(C)cc(F)c2)n(-c2ccncc2)n1 ZINC001174530089 1132892611 /nfs/dbraw/zinc/89/26/11/1132892611.db2.gz SLIBBRWRBUJWGJ-UHFFFAOYSA-N 0 1 282.322 3.767 20 0 CHADMN CC(=O)c1cc(F)ccc1Nc1ccc2c[nH]nc2c1 ZINC001174501512 1132903219 /nfs/dbraw/zinc/90/32/19/1132903219.db2.gz WTANBCUQMJRKBE-UHFFFAOYSA-N 0 1 269.279 3.648 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccc(F)c1N ZINC001159870107 1132917335 /nfs/dbraw/zinc/91/73/35/1132917335.db2.gz DAMRXJVXUZNXEC-UHFFFAOYSA-N 0 1 283.306 3.708 20 0 CHADMN Cc1ccc(Nc2ccc3sc(N)nc3c2)c2cn[nH]c21 ZINC001160005687 1132934007 /nfs/dbraw/zinc/93/40/07/1132934007.db2.gz KWNIGTPAKQKBGW-UHFFFAOYSA-N 0 1 295.371 3.807 20 0 CHADMN Cn1cncc1Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001160030989 1132936505 /nfs/dbraw/zinc/93/65/05/1132936505.db2.gz WGXCLSLVPDKDEB-UHFFFAOYSA-N 0 1 288.351 3.511 20 0 CHADMN Cc1cc(Nc2cccc3[nH]ccc32)n(-c2ccncc2)n1 ZINC001174645639 1132937697 /nfs/dbraw/zinc/93/76/97/1132937697.db2.gz KWDRXGPDMYTMHJ-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN N=C(Nc1cnc(Cl)cc1N)c1cccc2ccccc21 ZINC001160504575 1132973657 /nfs/dbraw/zinc/97/36/57/1132973657.db2.gz OJNHHYSCNGFQBX-UHFFFAOYSA-N 0 1 296.761 3.908 20 0 CHADMN Cc1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2O)c1F ZINC001161066831 1132992015 /nfs/dbraw/zinc/99/20/15/1132992015.db2.gz FIXRCUDDQJOWCI-UHFFFAOYSA-N 0 1 299.223 3.509 20 0 CHADMN Cc1cc2ccccc2c(N[C@@H]2CCCc3nccnc32)n1 ZINC001161409738 1133000568 /nfs/dbraw/zinc/00/05/68/1133000568.db2.gz SDZVKYIMEVTRAQ-MRXNPFEDSA-N 0 1 290.370 3.823 20 0 CHADMN Cc1cnc(NCC2(Cc3ccc(F)cc3)CC2)c(N)c1 ZINC001161622741 1133010781 /nfs/dbraw/zinc/01/07/81/1133010781.db2.gz LUELSTAHCYIBQW-UHFFFAOYSA-N 0 1 285.366 3.546 20 0 CHADMN Cc1cccc(C(C)(C)CNc2ccc(C)c(C)n2)n1 ZINC001161638590 1133012672 /nfs/dbraw/zinc/01/26/72/1133012672.db2.gz RUUPCAFBJMTDPX-UHFFFAOYSA-N 0 1 269.392 3.792 20 0 CHADMN Cc1cnc(NCC(C)(C)c2cccc(C)n2)c(C)c1 ZINC001161642774 1133012686 /nfs/dbraw/zinc/01/26/86/1133012686.db2.gz KAIFNKOSWGHXBW-UHFFFAOYSA-N 0 1 269.392 3.792 20 0 CHADMN CC(C)c1cc(NC(=O)c2ccc(F)cc2O)ccc1O ZINC001161753127 1133023313 /nfs/dbraw/zinc/02/33/13/1133023313.db2.gz FSMWMQAVEDUDHD-UHFFFAOYSA-N 0 1 289.306 3.613 20 0 CHADMN Cc1cc(N[C@H](c2ccccc2)C2CC2)nc2[nH]cnc21 ZINC001161956549 1133042764 /nfs/dbraw/zinc/04/27/64/1133042764.db2.gz ZHPJGMXHAUJJHX-MRXNPFEDSA-N 0 1 278.359 3.830 20 0 CHADMN Cc1ccnc(NCCc2ccc(C(F)(F)F)nc2)c1C ZINC001162610396 1133095097 /nfs/dbraw/zinc/09/50/97/1133095097.db2.gz QGUSMSQPLNNYAW-UHFFFAOYSA-N 0 1 295.308 3.767 20 0 CHADMN Cc1c2nc[nH]c2ccc1NC[C@@H]1CCC(F)(F)C1 ZINC001162647788 1133099026 /nfs/dbraw/zinc/09/90/26/1133099026.db2.gz GPGLVMNWSQYHAA-SNVBAGLBSA-N 0 1 265.307 3.719 20 0 CHADMN Cc1cnc(N[C@H](c2cccnc2)C(C)C)cc1C ZINC001163063203 1133128795 /nfs/dbraw/zinc/12/87/95/1133128795.db2.gz HTZVNUJLKIVDQW-INIZCTEOSA-N 0 1 255.365 3.903 20 0 CHADMN Cc1cnc(NCCOc2cccc3ccoc32)cc1C ZINC001163077825 1133129833 /nfs/dbraw/zinc/12/98/33/1133129833.db2.gz LIHJBCRFPBZECX-UHFFFAOYSA-N 0 1 282.343 3.936 20 0 CHADMN Cc1ccc(N[C@@H]2CCc3c2cccc3O)nc1C ZINC001163193829 1133135350 /nfs/dbraw/zinc/13/53/50/1133135350.db2.gz IAIKEOAPWKWFQZ-CQSZACIVSA-N 0 1 254.333 3.503 20 0 CHADMN Cc1ccnc(NCCC(C(F)(F)F)C(F)(F)F)c1 ZINC001163233174 1133139863 /nfs/dbraw/zinc/13/98/63/1133139863.db2.gz MJBPNAZPPKBZMQ-UHFFFAOYSA-N 0 1 286.219 3.933 20 0 CHADMN FC(F)(F)c1cnccc1NCc1ccc2occc2c1 ZINC001163690105 1133165293 /nfs/dbraw/zinc/16/52/93/1133165293.db2.gz JPWHJAZPKDYLNP-UHFFFAOYSA-N 0 1 292.260 3.881 20 0 CHADMN CC(C)(C)Oc1ccnc(NCCc2cccc(O)c2)c1 ZINC001163708353 1133166745 /nfs/dbraw/zinc/16/67/45/1133166745.db2.gz JPHXNURUPKPHAE-UHFFFAOYSA-N 0 1 286.375 3.619 20 0 CHADMN CCOc1cccc(CCNc2nc(C)cc3cc[nH]c32)c1 ZINC001163712667 1133167526 /nfs/dbraw/zinc/16/75/26/1133167526.db2.gz XFHHALRPHHMRMN-UHFFFAOYSA-N 0 1 295.386 3.925 20 0 CHADMN Cc1ccc2c(ccnc2NC[C@@H]2Cc3ccccc3O2)c1 ZINC001163858824 1133180567 /nfs/dbraw/zinc/18/05/67/1133180567.db2.gz KFLBQQLLFZJXGU-INIZCTEOSA-N 0 1 290.366 3.959 20 0 CHADMN Cc1c2nc[nH]c2ccc1NCc1cc2ccccc2n1C ZINC001163946090 1133186020 /nfs/dbraw/zinc/18/60/20/1133186020.db2.gz DKLHFXJETNEZTA-UHFFFAOYSA-N 0 1 290.370 3.975 20 0 CHADMN COc1ccc2c(ccnc2N2CCCC(F)(F)CC2)c1 ZINC001163977211 1133190027 /nfs/dbraw/zinc/19/00/27/1133190027.db2.gz QMPQRNHLWMEYHR-UHFFFAOYSA-N 0 1 292.329 3.869 20 0 CHADMN Cc1cnc(N2CC[C@@H](C)C(F)(F)CC2)cc1C ZINC001164118208 1133198564 /nfs/dbraw/zinc/19/85/64/1133198564.db2.gz PNPGRIYHKYDWNS-GFCCVEGCSA-N 0 1 254.324 3.570 20 0 CHADMN COc1ccc(CCCNc2nc(C)cc3cc[nH]c32)cc1 ZINC001164190170 1133204976 /nfs/dbraw/zinc/20/49/76/1133204976.db2.gz ICRIKZOIGCYTFH-UHFFFAOYSA-N 0 1 295.386 3.925 20 0 CHADMN COc1ccc(CCCNc2ccc3[nH]cnc3c2C)cc1 ZINC001164192153 1133205968 /nfs/dbraw/zinc/20/59/68/1133205968.db2.gz LDJUGNKBGZGAAY-UHFFFAOYSA-N 0 1 295.386 3.925 20 0 CHADMN Cc1cc2ccccc2c(N2CC[C@@](C)(F)[C@@H](F)C2)n1 ZINC001164336255 1133214512 /nfs/dbraw/zinc/21/45/12/1133214512.db2.gz CHBGHWOALYJNKA-GOEBONIOSA-N 0 1 276.330 3.820 20 0 CHADMN Cc1cc2ccccc2c(N2CC[C@](C)(F)[C@@H](F)C2)n1 ZINC001164336256 1133215083 /nfs/dbraw/zinc/21/50/83/1133215083.db2.gz CHBGHWOALYJNKA-HOCLYGCPSA-N 0 1 276.330 3.820 20 0 CHADMN Clc1ccc2nc(SC[C@@H]3C[C@]34CCOC4)[nH]c2c1 ZINC001164448535 1133219339 /nfs/dbraw/zinc/21/93/39/1133219339.db2.gz VRVNBONFXIEMMB-XPTSAGLGSA-N 0 1 294.807 3.735 20 0 CHADMN C[C@H]1CN(c2cc(Cl)nc3[nH]cnc32)Cc2ccccc21 ZINC001165217086 1133230068 /nfs/dbraw/zinc/23/00/68/1133230068.db2.gz FODBHMURNIJGKO-JTQLQIEISA-N 0 1 298.777 3.735 20 0 CHADMN Cc1cc2ccccc2c(N2CC[C@@H]3CCCO[C@H]3C2)n1 ZINC001165330988 1133239685 /nfs/dbraw/zinc/23/96/85/1133239685.db2.gz CHRAXVONHCAINZ-YOEHRIQHSA-N 0 1 282.387 3.549 20 0 CHADMN CC(C)c1nc2c(ncnc2NCC=Cc2ccccc2)[nH]1 ZINC001166097258 1133259181 /nfs/dbraw/zinc/25/91/81/1133259181.db2.gz ROJQWRCOYXXDLP-RMKNXTFCSA-N 0 1 293.374 3.602 20 0 CHADMN FC(F)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC001203382709 1133264878 /nfs/dbraw/zinc/26/48/78/1133264878.db2.gz CWQIGEYSLHKJLZ-NSHDSACASA-N 0 1 259.727 3.817 20 0 CHADMN CCOc1ccnc(N2CCC[C@H](Cc3ccccc3)C2)c1 ZINC001166563005 1133270244 /nfs/dbraw/zinc/27/02/44/1133270244.db2.gz KFSOVXQJHCOJPP-QGZVFWFLSA-N 0 1 296.414 3.939 20 0 CHADMN CCOc1ccnc(N2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC001166563004 1133270327 /nfs/dbraw/zinc/27/03/27/1133270327.db2.gz KFSOVXQJHCOJPP-KRWDZBQOSA-N 0 1 296.414 3.939 20 0 CHADMN Cc1cc(C)nc(N(C)Cc2ccc(Cl)cc2)c1 ZINC001166673996 1133280312 /nfs/dbraw/zinc/28/03/12/1133280312.db2.gz HOFLWFNJZZCSIS-UHFFFAOYSA-N 0 1 260.768 3.988 20 0 CHADMN CCc1cc(CN2CCC(c3ccccc3)CC2)on1 ZINC001203218052 1133305895 /nfs/dbraw/zinc/30/58/95/1133305895.db2.gz FWNLAUFPMUSOOE-UHFFFAOYSA-N 0 1 270.376 3.617 20 0 CHADMN CCc1cc(CN(CC)Cc2ccc(C)cc2)on1 ZINC001203227458 1133306716 /nfs/dbraw/zinc/30/67/16/1133306716.db2.gz DUSWKUDKMAUOKU-UHFFFAOYSA-N 0 1 258.365 3.568 20 0 CHADMN CCc1cccc2cc(CNCc3ccnc(F)c3)oc21 ZINC001203288856 1133310711 /nfs/dbraw/zinc/31/07/11/1133310711.db2.gz FAHMSWTWSSSGAJ-UHFFFAOYSA-N 0 1 284.334 3.819 20 0 CHADMN COc1ccc(CN2Cc3ccccc3[C@H](C)C2)c(OC)c1 ZINC001203470729 1133330830 /nfs/dbraw/zinc/33/08/30/1133330830.db2.gz DVCYCXRYZWSJQH-CQSZACIVSA-N 0 1 297.398 3.823 20 0 CHADMN COc1ccc(CN2CCc3ccccc3[C@@H]2C)c(OC)c1 ZINC001203470775 1133331273 /nfs/dbraw/zinc/33/12/73/1133331273.db2.gz FUPPIPNBBVOGTJ-AWEZNQCLSA-N 0 1 297.398 3.823 20 0 CHADMN Cc1ccc(CNCc2nc3cc(Cl)ccc3n2C)cc1 ZINC000162393067 1133333021 /nfs/dbraw/zinc/33/30/21/1133333021.db2.gz POJGFNYYVXEEBS-UHFFFAOYSA-N 0 1 299.805 3.825 20 0 CHADMN Cc1ccc2[nH]c(NC[C@H]3CCOc4ccccc43)nc2c1 ZINC001203479691 1133333083 /nfs/dbraw/zinc/33/30/83/1133333083.db2.gz WILMIKODDOWWPV-CYBMUJFWSA-N 0 1 293.370 3.850 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccn2ccnc2c1 ZINC001203525235 1133336189 /nfs/dbraw/zinc/33/61/89/1133336189.db2.gz YLZPTSOOPXTBJM-UHFFFAOYSA-N 0 1 290.326 3.635 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccnn1CC1CC1 ZINC001203524323 1133336250 /nfs/dbraw/zinc/33/62/50/1133336250.db2.gz XMPFJHYNPLVWKT-UHFFFAOYSA-N 0 1 294.358 3.594 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(O)cc1OC ZINC001203528765 1133336919 /nfs/dbraw/zinc/33/69/19/1133336919.db2.gz WWMMZZTUAUBSAH-UHFFFAOYSA-N 0 1 296.326 3.701 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccc(CO)c1F ZINC001203526484 1133337606 /nfs/dbraw/zinc/33/76/06/1133337606.db2.gz ZKUSGINPDGDBKH-UHFFFAOYSA-N 0 1 298.317 3.618 20 0 CHADMN COc1ccc2c(c1)nccc2N(C)c1cc(C)ccc1N ZINC001203527993 1133337794 /nfs/dbraw/zinc/33/77/94/1133337794.db2.gz KOBXYVIUFLLGIY-UHFFFAOYSA-N 0 1 293.370 3.902 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(OC)ccc1N ZINC001203525766 1133338203 /nfs/dbraw/zinc/33/82/03/1133338203.db2.gz FRWFEGBPKPXIQJ-UHFFFAOYSA-N 0 1 295.342 3.578 20 0 CHADMN OCc1cc(Nc2cncc(Oc3ccccc3)c2)ccn1 ZINC001203557255 1133338857 /nfs/dbraw/zinc/33/88/57/1133338857.db2.gz UWKRQHQFBWIUQL-UHFFFAOYSA-N 0 1 293.326 3.505 20 0 CHADMN Clc1cscc1CNCc1cccc2c[nH]nc21 ZINC001203699609 1133354584 /nfs/dbraw/zinc/35/45/84/1133354584.db2.gz XQIFPYDBYRYIMB-UHFFFAOYSA-N 0 1 277.780 3.568 20 0 CHADMN Cc1ccc(CN2CC[C@](C)(F)[C@H](F)C2)c(C)c1 ZINC001203730267 1133361037 /nfs/dbraw/zinc/36/10/37/1133361037.db2.gz YRMCIYHKCOIDMP-CABCVRRESA-N 0 1 253.336 3.575 20 0 CHADMN C[N@@H+](CCC(=O)c1cccs1)Cc1cccc(F)c1 ZINC001203789755 1133368448 /nfs/dbraw/zinc/36/84/48/1133368448.db2.gz LQALOSCKZWNNAS-UHFFFAOYSA-N 0 1 277.364 3.592 20 0 CHADMN C[C@@]1(CF)CCN(Cc2cccc(Br)c2)C1 ZINC001203767173 1133367381 /nfs/dbraw/zinc/36/73/81/1133367381.db2.gz PLUBSJJFZQFWAJ-ZDUSSCGKSA-N 0 1 286.188 3.631 20 0 CHADMN F[C@H]1C[C@@H]2C[C@H]1CN2Cc1cccc(C(F)(F)F)c1 ZINC001203887314 1133380256 /nfs/dbraw/zinc/38/02/56/1133380256.db2.gz YNGNSLIJJGBRJB-DRZSPHRISA-N 0 1 273.273 3.638 20 0 CHADMN c1ccc(C[C@H](NCc2ccncc2)c2ccccn2)cc1 ZINC001203935182 1133385810 /nfs/dbraw/zinc/38/58/10/1133385810.db2.gz MZAOBLLFBUGQQE-IBGZPJMESA-N 0 1 289.382 3.550 20 0 CHADMN CCOc1ccc(CN(Cc2ccco2)C2CC2)cc1 ZINC001203971350 1133391627 /nfs/dbraw/zinc/39/16/27/1133391627.db2.gz ZFBPLDWKDAEPAX-UHFFFAOYSA-N 0 1 271.360 3.843 20 0 CHADMN COc1ccc(CN2CCC(=O)[C@H](C)CC2)c2ccccc12 ZINC001203992884 1133394507 /nfs/dbraw/zinc/39/45/07/1133394507.db2.gz PSTLBZJAVWVWIA-CQSZACIVSA-N 0 1 297.398 3.649 20 0 CHADMN c1ccc2cc(CN3CCc4cccnc4C3)ccc2c1 ZINC001204000120 1133397422 /nfs/dbraw/zinc/39/74/22/1133397422.db2.gz VFOMCSQPJYLYMJ-UHFFFAOYSA-N 0 1 274.367 3.793 20 0 CHADMN CN(CCC(=O)c1cccs1)Cc1cccs1 ZINC001204019041 1133400033 /nfs/dbraw/zinc/40/00/33/1133400033.db2.gz WWSOQOSZBXAIGB-UHFFFAOYSA-N 0 1 265.403 3.514 20 0 CHADMN O=C1CCCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC001204134262 1133409105 /nfs/dbraw/zinc/40/91/05/1133409105.db2.gz AQCMRPGBGFDJOD-UHFFFAOYSA-N 0 1 279.383 3.909 20 0 CHADMN c1c2cccnc2oc1CN1CC[C@H]1c1ccccc1 ZINC001204146147 1133410392 /nfs/dbraw/zinc/41/03/92/1133410392.db2.gz SUFGOIDSWVHRAD-INIZCTEOSA-N 0 1 264.328 3.775 20 0 CHADMN CSc1ccc(CN2CCCC[C@H](F)C2)cc1 ZINC001204138513 1133410577 /nfs/dbraw/zinc/41/05/77/1133410577.db2.gz KPDGFRPMMVCDDO-ZDUSSCGKSA-N 0 1 253.386 3.733 20 0 CHADMN Fc1cccc(F)c1CN1CCC12CCCCC2 ZINC001204202836 1133417955 /nfs/dbraw/zinc/41/79/55/1133417955.db2.gz NFMHSGULPIJXPT-UHFFFAOYSA-N 0 1 251.320 3.873 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(F)cc(F)c2)cc1 ZINC001204231447 1133423303 /nfs/dbraw/zinc/42/33/03/1133423303.db2.gz UBEXCBYNPOYMTE-UHFFFAOYSA-N 0 1 261.315 3.905 20 0 CHADMN COc1ccc(C2=CCN(Cc3ccoc3)CC2)cc1 ZINC001204244989 1133424427 /nfs/dbraw/zinc/42/44/27/1133424427.db2.gz VETRCPGJQZIQCG-UHFFFAOYSA-N 0 1 269.344 3.578 20 0 CHADMN Clc1ccc(OC2CCN(Cc3ccoc3)CC2)cc1 ZINC001204242666 1133424899 /nfs/dbraw/zinc/42/48/99/1133424899.db2.gz YTURZQVUBFFVMP-UHFFFAOYSA-N 0 1 291.778 3.976 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1c2cc[nH]c2ccc1F ZINC001204260220 1133426933 /nfs/dbraw/zinc/42/69/33/1133426933.db2.gz QPTDJSWHIIZRAA-UHFFFAOYSA-N 0 1 280.306 3.537 20 0 CHADMN Fc1ccc(CN2C[C@H]3[C@H](CCC3(F)F)C2)cc1Cl ZINC001204279718 1133427375 /nfs/dbraw/zinc/42/73/75/1133427375.db2.gz BCOISLSNTHLESG-MNOVXSKESA-N 0 1 289.728 3.956 20 0 CHADMN FC[C@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC001204284720 1133428246 /nfs/dbraw/zinc/42/82/46/1133428246.db2.gz RGFFXZVIBUNOKW-LLVKDONJSA-N 0 1 259.727 3.661 20 0 CHADMN Cc1ccc(CN2CCc3cc4c(cc3C2)OCO4)cc1C ZINC001204354172 1133439446 /nfs/dbraw/zinc/43/94/46/1133439446.db2.gz UKIXJAGDSRVIRW-UHFFFAOYSA-N 0 1 295.382 3.590 20 0 CHADMN Cc1ccc(CN2CCC(=O)[C@H]3CCCC[C@H]32)cc1C ZINC001204352536 1133439628 /nfs/dbraw/zinc/43/96/28/1133439628.db2.gz BLFOHHJZNBUIJK-DLBZAZTESA-N 0 1 271.404 3.637 20 0 CHADMN Cc1ccc(CN2CCc3sccc3C2)cc1C ZINC001204351337 1133440137 /nfs/dbraw/zinc/44/01/37/1133440137.db2.gz IIEQEIKYEXDOOX-UHFFFAOYSA-N 0 1 257.402 3.923 20 0 CHADMN Cc1csc(CN2CCC3(CCc4ccccc43)CC2)n1 ZINC001204374222 1133441654 /nfs/dbraw/zinc/44/16/54/1133441654.db2.gz DYERPSGYLTXUQQ-UHFFFAOYSA-N 0 1 298.455 3.932 20 0 CHADMN CC(=O)n1cc(CN2CC3(C2)CCCC3)c2ccccc21 ZINC001204404370 1133443336 /nfs/dbraw/zinc/44/33/36/1133443336.db2.gz HDHCFHKDEUUWNM-UHFFFAOYSA-N 0 1 282.387 3.677 20 0 CHADMN CN(Cc1ccc(OC(F)F)cc1)C1CC(F)(F)C1 ZINC001204417835 1133444904 /nfs/dbraw/zinc/44/49/04/1133444904.db2.gz HAVXHQYCEIZSEA-UHFFFAOYSA-N 0 1 277.261 3.518 20 0 CHADMN CC(C)c1nc(CCN(C)Cc2ccc(Cl)s2)no1 ZINC001204440259 1133446911 /nfs/dbraw/zinc/44/69/11/1133446911.db2.gz ALLQJHWGPLQMHM-UHFFFAOYSA-N 0 1 299.827 3.582 20 0 CHADMN C[C@@]1(CF)CCN(Cc2ccc(F)cc2Cl)C1 ZINC001204434017 1133447087 /nfs/dbraw/zinc/44/70/87/1133447087.db2.gz DAWPWVLNAXBAGV-ZDUSSCGKSA-N 0 1 259.727 3.661 20 0 CHADMN FC[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC001204436235 1133447540 /nfs/dbraw/zinc/44/75/40/1133447540.db2.gz AUBDWFBQAKZJJF-SNVBAGLBSA-N 0 1 259.727 3.661 20 0 CHADMN Clc1ccc(CN2CCC3(CCCOC3)CC2)s1 ZINC001204445122 1133448547 /nfs/dbraw/zinc/44/85/47/1133448547.db2.gz SXWIZTQUJWVWCT-UHFFFAOYSA-N 0 1 285.840 3.794 20 0 CHADMN CC(C)Oc1ccc(CN2CCC[C@](C)(F)C2)cc1 ZINC001204452030 1133448887 /nfs/dbraw/zinc/44/88/87/1133448887.db2.gz DJUPUZOBLKARFL-INIZCTEOSA-N 0 1 265.372 3.798 20 0 CHADMN Cc1cc(C)cc(CN2CCc3c(O)cccc3C2)c1 ZINC001204519408 1133455988 /nfs/dbraw/zinc/45/59/88/1133455988.db2.gz BJQIBGUOEJKEGX-UHFFFAOYSA-N 0 1 267.372 3.567 20 0 CHADMN CCN(Cc1cccnc1)Cc1cccc(F)c1C ZINC001204513243 1133456823 /nfs/dbraw/zinc/45/68/23/1133456823.db2.gz WELHUGFXZBQXQR-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN COc1ccc2cc(CN3CCc4occc4C3)ccc2c1 ZINC001204516942 1133456965 /nfs/dbraw/zinc/45/69/65/1133456965.db2.gz IEOVYNJYSGJJPN-UHFFFAOYSA-N 0 1 293.366 4.000 20 0 CHADMN Fc1cc(CN2CCCCCCC2)cc(F)c1F ZINC001204527639 1133458279 /nfs/dbraw/zinc/45/82/79/1133458279.db2.gz FXNDLWQQVBTITR-UHFFFAOYSA-N 0 1 257.299 3.870 20 0 CHADMN C[C@H]1CN(Cc2cc(F)ccc2Br)C2(CC2)C1 ZINC001204542794 1133460475 /nfs/dbraw/zinc/46/04/75/1133460475.db2.gz NJGXWGWNYRGOLE-SNVBAGLBSA-N 0 1 298.199 3.963 20 0 CHADMN COc1cc(CN2Cc3ccccc3[C@H](C)C2)ccc1F ZINC001204555748 1133460755 /nfs/dbraw/zinc/46/07/55/1133460755.db2.gz RMGGWLYKPNWUEA-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN COc1nsc(CN2CCC[C@H]2CC(C)C)c1Cl ZINC001204657932 1133472447 /nfs/dbraw/zinc/47/24/47/1133472447.db2.gz NEYLCAKBERBUCJ-JTQLQIEISA-N 0 1 288.844 3.816 20 0 CHADMN COc1ccc(C[N@@H+](C)Cc2ccoc2C)c(C)c1 ZINC001204736654 1133479943 /nfs/dbraw/zinc/47/99/43/1133479943.db2.gz OLWJSMVWSZKANA-UHFFFAOYSA-N 0 1 259.349 3.537 20 0 CHADMN COc1ccc(CN(C)Cc2ccoc2C)c(C)c1 ZINC001204736654 1133479945 /nfs/dbraw/zinc/47/99/45/1133479945.db2.gz OLWJSMVWSZKANA-UHFFFAOYSA-N 0 1 259.349 3.537 20 0 CHADMN CN(CCc1cccc(Cl)c1)Cc1nc2ccccc2[nH]1 ZINC001204786031 1133485109 /nfs/dbraw/zinc/48/51/09/1133485109.db2.gz LWSRKMODMSZREQ-UHFFFAOYSA-N 0 1 299.805 3.891 20 0 CHADMN Cc1cccc(CN(CCO)[C@H]2CCc3ccccc32)c1F ZINC001204809413 1133488021 /nfs/dbraw/zinc/48/80/21/1133488021.db2.gz YZTAQDILBZPRIV-SFHVURJKSA-N 0 1 299.389 3.616 20 0 CHADMN Cc1cc2cc(Nc3cc(C)nc4ccccc43)cnc2[nH]1 ZINC001204889665 1133495873 /nfs/dbraw/zinc/49/58/73/1133495873.db2.gz BWPOXIODIKURFD-UHFFFAOYSA-N 0 1 288.354 3.893 20 0 CHADMN CC(C)(C)CO[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001204887469 1133495975 /nfs/dbraw/zinc/49/59/75/1133495975.db2.gz WQTIJXHYOPHMQW-OAHLLOKOSA-N 0 1 281.827 3.977 20 0 CHADMN CN[C@H](c1nc(-c2ccc(F)c(Cl)c2)no1)C(C)(C)C ZINC001204888767 1133496235 /nfs/dbraw/zinc/49/62/35/1133496235.db2.gz MLADXIJIZODPCB-LLVKDONJSA-N 0 1 297.761 3.836 20 0 CHADMN CCn1cnc(Cl)c1CN1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC001204891439 1133496355 /nfs/dbraw/zinc/49/63/55/1133496355.db2.gz RVAVHRKDWJTWSD-MELADBBJSA-N 0 1 295.858 3.957 20 0 CHADMN CCc1ccc(-c2noc([C@@H](NC)C(C)(C)C)n2)cc1 ZINC001204895187 1133497089 /nfs/dbraw/zinc/49/70/89/1133497089.db2.gz KLIUAOXMYZKECU-CYBMUJFWSA-N 0 1 273.380 3.606 20 0 CHADMN COc1cc(Cl)cc(-c2ccc3cncn3c2)c1 ZINC001205129461 1133534385 /nfs/dbraw/zinc/53/43/85/1133534385.db2.gz HQEFYOCXHBCHJY-UHFFFAOYSA-N 0 1 258.708 3.663 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(-c2ccc(O)cc2)cc1 ZINC001205134723 1133535672 /nfs/dbraw/zinc/53/56/72/1133535672.db2.gz RBZHYWYMOZMETH-UHFFFAOYSA-N 0 1 279.343 3.845 20 0 CHADMN Fc1cc(F)c(-c2ccc3[nH]cnc3c2)c(F)c1F ZINC001205174506 1133541616 /nfs/dbraw/zinc/54/16/16/1133541616.db2.gz VXKKKSVKJMVTID-UHFFFAOYSA-N 0 1 266.197 3.786 20 0 CHADMN Cc1cc(CN2CC[C@H](C(=O)c3ccccc3)C2)ccc1F ZINC001205199166 1133545399 /nfs/dbraw/zinc/54/53/99/1133545399.db2.gz YRYIZJXGTBOCMI-KRWDZBQOSA-N 0 1 297.373 3.839 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1ccc(F)c2n[nH]cc21 ZINC001205337550 1133564258 /nfs/dbraw/zinc/56/42/58/1133564258.db2.gz PWUOAVAQFHSYLK-UHFFFAOYSA-N 0 1 266.279 3.554 20 0 CHADMN CCN1CCN(CC[C@H](C)CCC=C(C)C)C(C)(C)C1=O ZINC001205495941 1133582386 /nfs/dbraw/zinc/58/23/86/1133582386.db2.gz KCRZRIWGGQHJTE-MRXNPFEDSA-N 0 1 294.483 3.702 20 0 CHADMN [O-]c1ccc(C[N@@H+](CC2CC2)CC2CCC2)c(F)c1F ZINC001205521637 1133584869 /nfs/dbraw/zinc/58/48/69/1133584869.db2.gz APPKUSOUVYBNST-UHFFFAOYSA-N 0 1 281.346 3.683 20 0 CHADMN CC(C)C1(CN(C)Cc2cc(C(C)(C)C)n[nH]2)CC1 ZINC001205542027 1133586261 /nfs/dbraw/zinc/58/62/61/1133586261.db2.gz VQGCJLLDKAQEOS-UHFFFAOYSA-N 0 1 263.429 3.575 20 0 CHADMN CCn1cc(CN2CC[C@H](c3ccccc3Cl)C2)cn1 ZINC001205544600 1133586694 /nfs/dbraw/zinc/58/66/94/1133586694.db2.gz AIKZGQFFHJHLTL-AWEZNQCLSA-N 0 1 289.810 3.546 20 0 CHADMN c1ccc2c(c1)CN1CC[C@H](OCC3CCCCC3)C1=N2 ZINC001205579730 1133590263 /nfs/dbraw/zinc/59/02/63/1133590263.db2.gz QBQQSGDKSJBUAP-KRWDZBQOSA-N 0 1 284.403 3.901 20 0 CHADMN COc1nsc(CN(C)[C@H]2CCCC[C@@H]2C)c1Cl ZINC001205741246 1133609334 /nfs/dbraw/zinc/60/93/34/1133609334.db2.gz WSPUPCXDFCOCPC-UWVGGRQHSA-N 0 1 288.844 3.816 20 0 CHADMN COc1ccc(C2=CCN(Cc3ncccc3C)CC2)cc1 ZINC001205814075 1133617879 /nfs/dbraw/zinc/61/78/79/1133617879.db2.gz SUKWLFKUHLGIKO-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN CSc1ccc(F)cc1-c1cc(N(C)C)ccn1 ZINC001205956466 1133634110 /nfs/dbraw/zinc/63/41/10/1133634110.db2.gz HTOVKYGQEBMVKR-UHFFFAOYSA-N 0 1 262.353 3.676 20 0 CHADMN CSc1ccc(-c2c[nH]cc3nc(C)nc2-3)c(C)c1 ZINC001206095675 1133657072 /nfs/dbraw/zinc/65/70/72/1133657072.db2.gz HVVKQPGMICQFSR-UHFFFAOYSA-N 0 1 269.373 3.964 20 0 CHADMN CSc1ccc(-c2cncc3[nH]c(C)nc32)c(C)c1 ZINC001206095675 1133657073 /nfs/dbraw/zinc/65/70/73/1133657073.db2.gz HVVKQPGMICQFSR-UHFFFAOYSA-N 0 1 269.373 3.964 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc3c2OCC3)cc1C ZINC001206284543 1133683150 /nfs/dbraw/zinc/68/31/50/1133683150.db2.gz BMEXAGKOYDTFSJ-UHFFFAOYSA-N 0 1 281.399 3.870 20 0 CHADMN CC[C@@H]1CO[C@@H](CC)CN1Cc1cc2ccccc2n1C ZINC001206567342 1133719474 /nfs/dbraw/zinc/71/94/74/1133719474.db2.gz BIDDKUVWDIJINK-WBVHZDCISA-N 0 1 286.419 3.568 20 0 CHADMN CCO[C@H]1C[C@@H](Nc2nc(C)ccc2CC)C12CCC2 ZINC001206661106 1133731550 /nfs/dbraw/zinc/73/15/50/1133731550.db2.gz OPGIDOZIOQSNDE-CABCVRRESA-N 0 1 274.408 3.712 20 0 CHADMN CC1(C)C[C@@]1(C)NCc1cncc(Cl)c1Cl ZINC001206742171 1133738983 /nfs/dbraw/zinc/73/89/83/1133738983.db2.gz KPLDPBSDBXCEMM-GFCCVEGCSA-N 0 1 259.180 3.667 20 0 CHADMN Oc1cc(F)c(-c2ccc(OC(F)(F)F)cn2)cc1F ZINC001206755198 1133742719 /nfs/dbraw/zinc/74/27/19/1133742719.db2.gz GNNOFGNRJNVHNB-UHFFFAOYSA-N 0 1 291.175 3.631 20 0 CHADMN CN(C)Cc1ccc(-c2cccc(OCC3CC3)c2)nc1 ZINC001206758052 1133742972 /nfs/dbraw/zinc/74/29/72/1133742972.db2.gz QKNGIXUMUFXNKK-UHFFFAOYSA-N 0 1 282.387 3.599 20 0 CHADMN Cc1cc2cc[nH]c2c(-c2cc(F)c(O)cc2F)n1 ZINC001206761990 1133743272 /nfs/dbraw/zinc/74/32/72/1133743272.db2.gz SPMVMTCRFXAGFF-UHFFFAOYSA-N 0 1 260.243 3.522 20 0 CHADMN CCO[C@@H]1C[C@H](NCC(F)(F)C(C)(C)C)C12CCCC2 ZINC001206763146 1133744677 /nfs/dbraw/zinc/74/46/77/1133744677.db2.gz VJTBWFVVIMNHPT-QWHCGFSZSA-N 0 1 289.410 3.995 20 0 CHADMN Oc1cc(F)c(-c2ccc(COC3CCC3)cn2)cc1F ZINC001206775888 1133746587 /nfs/dbraw/zinc/74/65/87/1133746587.db2.gz PRRRXEQZGHYORJ-UHFFFAOYSA-N 0 1 291.297 3.802 20 0 CHADMN CCc1nc2sccc2c(-c2cc(F)c(O)cc2F)n1 ZINC001206775721 1133746712 /nfs/dbraw/zinc/74/67/12/1133746712.db2.gz HXUGHVVRXQFVSX-UHFFFAOYSA-N 0 1 292.310 3.905 20 0 CHADMN Cc1cc2ncccc2nc1-c1cc(F)c(O)cc1F ZINC001206775909 1133747479 /nfs/dbraw/zinc/74/74/79/1133747479.db2.gz QLCLZKJIKRXNPD-UHFFFAOYSA-N 0 1 272.254 3.589 20 0 CHADMN Fc1ccc(-c2cc(CN3CCC4(CC4)CC3)no2)cc1 ZINC001206831325 1133753374 /nfs/dbraw/zinc/75/33/74/1133753374.db2.gz LUTRXERZAAEKPC-UHFFFAOYSA-N 0 1 286.350 3.857 20 0 CHADMN CCc1nccc(CN(C)Cc2cccc3ccccc32)n1 ZINC001207087110 1133766087 /nfs/dbraw/zinc/76/60/87/1133766087.db2.gz XVVXMKPMHHNNMJ-UHFFFAOYSA-N 0 1 291.398 3.824 20 0 CHADMN CCC(CC)(CNCc1ncccc1F)C(F)(F)F ZINC001207210625 1133779815 /nfs/dbraw/zinc/77/98/15/1133779815.db2.gz XTDBNJGFKVLEON-UHFFFAOYSA-N 0 1 278.293 3.679 20 0 CHADMN C[C@H]1CN(CC(C)(C)Sc2ccc(Cl)cc2)CCO1 ZINC001207295678 1133790403 /nfs/dbraw/zinc/79/04/03/1133790403.db2.gz ZBZIKSNYMMSQGE-LBPRGKRZSA-N 0 1 299.867 3.931 20 0 CHADMN Cc1nc(Cl)c(CCN2CCCCCC2)c(Cl)n1 ZINC001207335225 1133793911 /nfs/dbraw/zinc/79/39/11/1133793911.db2.gz XYXPMOKOAUSTDC-UHFFFAOYSA-N 0 1 288.222 3.510 20 0 CHADMN Cc1cccc(CC[N@H+]2Cc3cccc(F)c3C2)c1 ZINC001207539151 1133817550 /nfs/dbraw/zinc/81/75/50/1133817550.db2.gz YCHXTVDQPZPKLH-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN Cc1cccc(CCN2Cc3cccc(F)c3C2)c1 ZINC001207539151 1133817555 /nfs/dbraw/zinc/81/75/55/1133817555.db2.gz YCHXTVDQPZPKLH-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN Cc1cccc(CC[N@H+]2CCC[C@@H]2c2nccs2)c1 ZINC001207537898 1133817721 /nfs/dbraw/zinc/81/77/21/1133817721.db2.gz JXVMYYUNZCMMMZ-OAHLLOKOSA-N 0 1 272.417 3.831 20 0 CHADMN Cc1coc(CN2Cc3ccccc3OC3(CCC3)C2)c1 ZINC001207534882 1133817959 /nfs/dbraw/zinc/81/79/59/1133817959.db2.gz BBYYHOCJXBHOPV-UHFFFAOYSA-N 0 1 283.371 3.905 20 0 CHADMN COc1cc2c(cc1OC)CN(CCc1cccc(C)c1)C2 ZINC001207554883 1133819192 /nfs/dbraw/zinc/81/91/92/1133819192.db2.gz QWGFJBHQEXIYMQ-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN Cc1ccc(Cl)cc1CNCc1ccnc(F)c1C ZINC001207730009 1133842479 /nfs/dbraw/zinc/84/24/79/1133842479.db2.gz SBZHTQASGFBWFA-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN C[N@H+](Cc1ccc(F)cc1F)CC1CCSCC1 ZINC001207755616 1133844435 /nfs/dbraw/zinc/84/44/35/1133844435.db2.gz YNWYWXYZDMMKGA-UHFFFAOYSA-N 0 1 271.376 3.540 20 0 CHADMN F[C@@H]1CN(CC2(c3ccccc3)CC2)CCCC1(F)F ZINC001207832920 1133850334 /nfs/dbraw/zinc/85/03/34/1133850334.db2.gz GPJMMFZVJZXZEG-CQSZACIVSA-N 0 1 283.337 3.787 20 0 CHADMN Clc1ccc2c(n1)CCN(CC1(c3ccccc3)CC1)C2 ZINC001207838590 1133851162 /nfs/dbraw/zinc/85/11/62/1133851162.db2.gz KUMCOCXIEMHXEZ-UHFFFAOYSA-N 0 1 298.817 3.825 20 0 CHADMN Clc1ccc([C@@H]2CCCN2C[C@H]2CCCO2)s1 ZINC001207860970 1133855994 /nfs/dbraw/zinc/85/59/94/1133855994.db2.gz LCWZBNUQCPHBQU-MNOVXSKESA-N 0 1 271.813 3.717 20 0 CHADMN CC(C)c1ccc(C[C@H](C)CN(C)Cc2ncccn2)cc1 ZINC001207933362 1133865408 /nfs/dbraw/zinc/86/54/08/1133865408.db2.gz YALKJRAWODXSBU-INIZCTEOSA-N 0 1 297.446 3.911 20 0 CHADMN CC(C)=CCCC1=CC[C@H](CN2CC3(CCO3)C2)CC1 ZINC001207938972 1133866601 /nfs/dbraw/zinc/86/66/01/1133866601.db2.gz YASFRFUHHMBWOJ-KRWDZBQOSA-N 0 1 275.436 3.934 20 0 CHADMN Cc1ccc(CCCN2CCc3cc(F)ccc3C2)o1 ZINC001207949432 1133867742 /nfs/dbraw/zinc/86/77/42/1133867742.db2.gz GYGSKWCNJGPHCH-UHFFFAOYSA-N 0 1 273.351 3.718 20 0 CHADMN CC/C=C\CCCN(C)Cc1cnc(Cl)s1 ZINC001208134390 1133883049 /nfs/dbraw/zinc/88/30/49/1133883049.db2.gz JHDWWUYMPXEYOF-PLNGDYQASA-N 0 1 258.818 3.975 20 0 CHADMN Cc1ccc([C@@H](C)CCN2CCc3ncsc3C2)o1 ZINC001208158318 1133890006 /nfs/dbraw/zinc/89/00/06/1133890006.db2.gz XNMOJNDJJMYOFH-NSHDSACASA-N 0 1 276.405 3.596 20 0 CHADMN Cc1ccc([C@H](C)CCN2CCC[C@H]2c2nc(C)no2)o1 ZINC001208169440 1133895321 /nfs/dbraw/zinc/89/53/21/1133895321.db2.gz SJXVDKQPTWWKPL-RISCZKNCSA-N 0 1 289.379 3.610 20 0 CHADMN Cc1ccc([C@H](C)CCN2CCc3cccnc3C2)o1 ZINC001208171032 1133896721 /nfs/dbraw/zinc/89/67/21/1133896721.db2.gz YIHQDRWHSLRTRA-CYBMUJFWSA-N 0 1 270.376 3.535 20 0 CHADMN Fc1cccc(CCN2CCC[C@H]2c2nccs2)c1 ZINC001208198947 1133905619 /nfs/dbraw/zinc/90/56/19/1133905619.db2.gz PBTJHECAYBLLFL-AWEZNQCLSA-N 0 1 276.380 3.662 20 0 CHADMN C[C@H]1CN(CCc2cccc(F)c2)[C@@H](c2ccccc2)CO1 ZINC001208201386 1133906422 /nfs/dbraw/zinc/90/64/22/1133906422.db2.gz GRUOVFUBQJVSNY-HNAYVOBHSA-N 0 1 299.389 3.830 20 0 CHADMN COc1ccnc(NCc2ccc(Br)s2)c1 ZINC000089805359 1133916652 /nfs/dbraw/zinc/91/66/52/1133916652.db2.gz YJVIRNRQEPYKGK-UHFFFAOYSA-N 0 1 299.193 3.526 20 0 CHADMN C[C@@H](CCN1CCN(CC(F)(F)F)CC1)CC(C)(C)C ZINC001208664715 1133923984 /nfs/dbraw/zinc/92/39/84/1133923984.db2.gz NVWWDZQZIRYFSN-ZDUSSCGKSA-N 0 1 294.405 3.629 20 0 CHADMN C[C@H](CCN1CCN(CC(F)(F)F)CC1)CC(C)(C)C ZINC001208664714 1133924703 /nfs/dbraw/zinc/92/47/03/1133924703.db2.gz NVWWDZQZIRYFSN-CYBMUJFWSA-N 0 1 294.405 3.629 20 0 CHADMN C[C@@H](CN1Cc2ccccc2C1)OCc1ccccc1 ZINC001208698273 1133928523 /nfs/dbraw/zinc/92/85/23/1133928523.db2.gz FXJDPLNPUGUMAA-HNNXBMFYSA-N 0 1 267.372 3.608 20 0 CHADMN CC(C)CCC[N@H+]1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001208736193 1133938353 /nfs/dbraw/zinc/93/83/53/1133938353.db2.gz FEYSEVWXFOSRJV-QGZVFWFLSA-N 0 1 279.399 3.809 20 0 CHADMN CC(C)CCCN1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001208736193 1133938355 /nfs/dbraw/zinc/93/83/55/1133938355.db2.gz FEYSEVWXFOSRJV-QGZVFWFLSA-N 0 1 279.399 3.809 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCCc2ccc(F)cc2)no1 ZINC001208766793 1133941954 /nfs/dbraw/zinc/94/19/54/1133941954.db2.gz HSULYWPZKFLFQG-KRWDZBQOSA-N 0 1 288.366 3.892 20 0 CHADMN Fc1cccc(F)c1[C@H]1CCCN1C[C@@H]1CCC=CO1 ZINC001208883373 1133957730 /nfs/dbraw/zinc/95/77/30/1133957730.db2.gz VDGHVWPANUGCKY-SWLSCSKDSA-N 0 1 279.330 3.794 20 0 CHADMN COc1cc2c(cc1OC)CN(CC1(C)CCCCC1)C2 ZINC001208908329 1133962516 /nfs/dbraw/zinc/96/25/16/1133962516.db2.gz SINMXCMSZNAEIB-UHFFFAOYSA-N 0 1 289.419 3.990 20 0 CHADMN CCC(=O)C(C)(C)CN(CC)Cc1cccc(F)c1F ZINC001208921950 1133963335 /nfs/dbraw/zinc/96/33/35/1133963335.db2.gz UASVULXLYACELQ-UHFFFAOYSA-N 0 1 283.362 3.792 20 0 CHADMN FC(F)(F)c1ccc(CCN2CCCCC23COC3)cc1 ZINC001209128301 1133978659 /nfs/dbraw/zinc/97/86/59/1133978659.db2.gz IOVCMKCDZWOEBV-UHFFFAOYSA-N 0 1 299.336 3.503 20 0 CHADMN C[C@@H]1CCN(CCc2cccc(C(F)(F)F)c2)CCC1=O ZINC001209123498 1133979185 /nfs/dbraw/zinc/97/91/85/1133979185.db2.gz YIYBZTAUNRHHIN-GFCCVEGCSA-N 0 1 299.336 3.549 20 0 CHADMN Fc1cc(F)cc(CC[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC001209139528 1133980619 /nfs/dbraw/zinc/98/06/19/1133980619.db2.gz ZNIUIDJXYQDNQE-KRWDZBQOSA-N 0 1 288.341 3.739 20 0 CHADMN CC[C@H]1CCCC[N@H+]1CCc1cc(F)c(F)cc1F ZINC001209253676 1133995599 /nfs/dbraw/zinc/99/55/99/1133995599.db2.gz VJCOVGLQMOUGNB-LBPRGKRZSA-N 0 1 271.326 3.911 20 0 CHADMN Fc1cc(F)c(CCN2CCC[C@H](C(F)F)C2)cc1F ZINC001209254876 1133998641 /nfs/dbraw/zinc/99/86/41/1133998641.db2.gz MVMQGSJUBMVTBO-JTQLQIEISA-N 0 1 293.279 3.624 20 0 CHADMN CC(=O)[C@H]1CCCN(CCc2ccccc2C(F)(F)F)C1 ZINC001209284531 1134000744 /nfs/dbraw/zinc/00/07/44/1134000744.db2.gz VBABVQRWAYUGLY-AWEZNQCLSA-N 0 1 299.336 3.549 20 0 CHADMN CCOC(=O)CCCCCC[N@H+]1Cc2ccc(F)cc2C1 ZINC001209351889 1134007798 /nfs/dbraw/zinc/00/77/98/1134007798.db2.gz IJKBUSIQAUZEID-UHFFFAOYSA-N 0 1 293.382 3.655 20 0 CHADMN CCOC(=O)CCCCCCN1Cc2ccc(F)cc2C1 ZINC001209351889 1134007804 /nfs/dbraw/zinc/00/78/04/1134007804.db2.gz IJKBUSIQAUZEID-UHFFFAOYSA-N 0 1 293.382 3.655 20 0 CHADMN COC1CCC(CN(C)Cc2csc(C(C)C)n2)CC1 ZINC001209395496 1134011766 /nfs/dbraw/zinc/01/17/66/1134011766.db2.gz IOFYDKUFQXOJLY-UHFFFAOYSA-N 0 1 296.480 3.904 20 0 CHADMN CCC[C@H](C(=O)c1ccccc1)N(C)CCC(C)(C)OC ZINC001209409503 1134013757 /nfs/dbraw/zinc/01/37/57/1134013757.db2.gz JXTPROREOREZMT-MRXNPFEDSA-N 0 1 291.435 3.785 20 0 CHADMN C[C@@H]1C[C@H]1CN1Cc2ccc(Br)cc2C[C@@H]1C ZINC001209428842 1134017450 /nfs/dbraw/zinc/01/74/50/1134017450.db2.gz TZXJEXOBHZUKKR-SUNKGSAMSA-N 0 1 294.236 3.852 20 0 CHADMN C[C@@H]1CCCN(Cc2cnc(Cl)s2)C[C@@H]1C ZINC001209460968 1134024794 /nfs/dbraw/zinc/02/47/94/1134024794.db2.gz GYNLQWWOOSBGGC-ZJUUUORDSA-N 0 1 258.818 3.665 20 0 CHADMN Cc1cccc2c(CN3CC4(C3)CC(F)(F)C4)c[nH]c21 ZINC001209482201 1134025956 /nfs/dbraw/zinc/02/59/56/1134025956.db2.gz IFFDHRQNKPHHSK-UHFFFAOYSA-N 0 1 276.330 3.707 20 0 CHADMN Cc1ccc2[nH]cc(CN(C)Cc3ccc(C)nc3)c2c1 ZINC001209500210 1134030175 /nfs/dbraw/zinc/03/01/75/1134030175.db2.gz UGCZVTDPCAYWAY-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN C[C@@H]1CN(Cc2c[nH]c3ncc(Cl)cc23)CCC1(F)F ZINC001209593341 1134040505 /nfs/dbraw/zinc/04/05/05/1134040505.db2.gz YTYLWASJVTYADT-SECBINFHSA-N 0 1 299.752 3.693 20 0 CHADMN COc1cc(CN2C[C@@H](C)C[C@H](C)C2)c(F)cc1Cl ZINC001209667818 1134047960 /nfs/dbraw/zinc/04/79/60/1134047960.db2.gz ORPSVZCFOZDKRB-QWRGUYRKSA-N 0 1 285.790 3.966 20 0 CHADMN Cc1cc(Cl)ncc1CN1CC[C@H](C)C[C@@H]1C ZINC001209636658 1134044463 /nfs/dbraw/zinc/04/44/63/1134044463.db2.gz ZHYYPFLLRAXIME-JQWIXIFHSA-N 0 1 252.789 3.664 20 0 CHADMN CCC1CCN(Cc2cnc(Cl)cc2C)CC1 ZINC001209631840 1134044801 /nfs/dbraw/zinc/04/48/01/1134044801.db2.gz RAPTTWNAIWGWFY-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN CCC[N@@H+](CC)Cc1ccc(Cl)c(OC)c1F ZINC001209697050 1134050978 /nfs/dbraw/zinc/05/09/78/1134050978.db2.gz BJYIVVZEOOZCHA-UHFFFAOYSA-N 0 1 259.752 3.720 20 0 CHADMN COc1c(Cl)ccc(C[N@H+]2CCCC2(C)C)c1F ZINC001209697008 1134051659 /nfs/dbraw/zinc/05/16/59/1134051659.db2.gz ATVDKQQISIGGKJ-UHFFFAOYSA-N 0 1 271.763 3.862 20 0 CHADMN COc1c(Cl)ccc(CN2CCCC2(C)C)c1F ZINC001209697008 1134051666 /nfs/dbraw/zinc/05/16/66/1134051666.db2.gz ATVDKQQISIGGKJ-UHFFFAOYSA-N 0 1 271.763 3.862 20 0 CHADMN CC(=O)C1CCN(Cc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001209721546 1134052791 /nfs/dbraw/zinc/05/27/91/1134052791.db2.gz LKGSZDMMPNOCAZ-UHFFFAOYSA-N 0 1 290.794 3.622 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1n[nH]c2ccc(Cl)cc21 ZINC001209750577 1134057220 /nfs/dbraw/zinc/05/72/20/1134057220.db2.gz JIVYBEXQICKNKM-GHMZBOCLSA-N 0 1 277.799 3.979 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1[nH]nc2ccc(Cl)cc21 ZINC001209750577 1134057228 /nfs/dbraw/zinc/05/72/28/1134057228.db2.gz JIVYBEXQICKNKM-GHMZBOCLSA-N 0 1 277.799 3.979 20 0 CHADMN C[C@@]1(F)CCCN(Cc2[nH]nc3ccc(Cl)cc32)CC1 ZINC001209751166 1134057504 /nfs/dbraw/zinc/05/75/04/1134057504.db2.gz MFMARPVLRQTBAY-OAHLLOKOSA-N 0 1 295.789 3.930 20 0 CHADMN C[C@@]1(F)CCCN(Cc2n[nH]c3ccc(Cl)cc32)CC1 ZINC001209751166 1134057510 /nfs/dbraw/zinc/05/75/10/1134057510.db2.gz MFMARPVLRQTBAY-OAHLLOKOSA-N 0 1 295.789 3.930 20 0 CHADMN CC[C@@H]1CCCCN1Cc1n[nH]c2ccc(Cl)cc21 ZINC001209759056 1134061499 /nfs/dbraw/zinc/06/14/99/1134061499.db2.gz MQJIBYIXANRYDH-GFCCVEGCSA-N 0 1 277.799 3.981 20 0 CHADMN COc1ccc2oc(CN3CC[C@H](C(F)(F)F)C3)cc2c1 ZINC001209770889 1134063266 /nfs/dbraw/zinc/06/32/66/1134063266.db2.gz APXWAFCEDYVHTK-NSHDSACASA-N 0 1 299.292 3.826 20 0 CHADMN Cc1ncc(Cl)cc1Nc1ccc2nc[nH]c2c1 ZINC001209845404 1134079892 /nfs/dbraw/zinc/07/98/92/1134079892.db2.gz XNQKVHYYGPNVKO-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN CC(=O)c1cc(F)ccc1Nc1ccc2nc[nH]c2c1 ZINC001209847361 1134080068 /nfs/dbraw/zinc/08/00/68/1134080068.db2.gz AGKKABHFQZYUEY-UHFFFAOYSA-N 0 1 269.279 3.648 20 0 CHADMN COc1cc(C(C)=O)ccc1Nc1ccc2nc[nH]c2c1 ZINC001209847489 1134080339 /nfs/dbraw/zinc/08/03/39/1134080339.db2.gz QYAHIGPUEUKBSQ-UHFFFAOYSA-N 0 1 281.315 3.518 20 0 CHADMN C[C@@H]1CCc2cc(N)ccc2N1c1ccc2nc[nH]c2c1 ZINC001209847866 1134081387 /nfs/dbraw/zinc/08/13/87/1134081387.db2.gz GBPYFBUBHWVOIS-LLVKDONJSA-N 0 1 278.359 3.618 20 0 CHADMN CC(C)(O)c1ccccc1Nc1ccc2nc[nH]c2c1 ZINC001209847641 1134081496 /nfs/dbraw/zinc/08/14/96/1134081496.db2.gz TVKPDMYUZDXSIJ-UHFFFAOYSA-N 0 1 267.332 3.534 20 0 CHADMN Fc1cc(F)c(Nc2ccc3nc[nH]c3c2)cc1F ZINC001209847764 1134082016 /nfs/dbraw/zinc/08/20/16/1134082016.db2.gz VEKRGWKVRYJEFD-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN c1cc2ncc(Nc3ccc4nc[nH]c4c3)cc2s1 ZINC001209847964 1134082403 /nfs/dbraw/zinc/08/24/03/1134082403.db2.gz JSIFLONNCRZIKS-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN COc1ccc(C)c(Nc2ccc3nc[nH]c3c2)c1 ZINC001209849139 1134084175 /nfs/dbraw/zinc/08/41/75/1134084175.db2.gz XYTAPNMLVLWELC-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN COc1ccc(Cl)c(Nc2ccc3nc[nH]c3c2)c1 ZINC001209848835 1134085384 /nfs/dbraw/zinc/08/53/84/1134085384.db2.gz RZVYGQIJBCPFEC-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN Cc1cc(N)c(Cl)cc1Nc1ccc2nc[nH]c2c1 ZINC001209848583 1134085534 /nfs/dbraw/zinc/08/55/34/1134085534.db2.gz LINLJRCFOBXEDJ-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN c1nc2ccc(Nc3cccc4cccnc43)cc2[nH]1 ZINC001209848480 1134085576 /nfs/dbraw/zinc/08/55/76/1134085576.db2.gz MBHHCFHWZTXJDZ-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN COC(=O)c1c(F)ccc(Nc2ccc3nc[nH]c3c2)c1C ZINC001209851697 1134086663 /nfs/dbraw/zinc/08/66/63/1134086663.db2.gz OQPDVBMBELAVIH-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN CCOC(=O)c1ccc(Nc2ccc3nc[nH]c3c2)cc1F ZINC001209851611 1134087225 /nfs/dbraw/zinc/08/72/25/1134087225.db2.gz KMCGAAAERQACFG-UHFFFAOYSA-N 0 1 299.305 3.622 20 0 CHADMN C=Cc1ccccc1Nc1ccccc1N1CCN(C)CC1 ZINC001209943477 1134105320 /nfs/dbraw/zinc/10/53/20/1134105320.db2.gz YKMAAXGPXHDUCL-UHFFFAOYSA-N 0 1 293.414 3.825 20 0 CHADMN Cc1cc(N)ncc1Nc1c(C)cc(F)cc1Cl ZINC001209968473 1134111212 /nfs/dbraw/zinc/11/12/12/1134111212.db2.gz BABVCKMKBNEGCO-UHFFFAOYSA-N 0 1 265.719 3.817 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(C2CCCCC2)no1 ZINC001209967115 1134111541 /nfs/dbraw/zinc/11/15/41/1134111541.db2.gz HUDJTWARJALKNO-UHFFFAOYSA-N 0 1 272.352 3.752 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc(F)c1Cl ZINC001209965394 1134111731 /nfs/dbraw/zinc/11/17/31/1134111731.db2.gz APWBHCHTYRCXEN-UHFFFAOYSA-N 0 1 251.692 3.508 20 0 CHADMN COc1ccc(Nc2cnc(N)cc2C)cc1C(C)C ZINC001209970244 1134112147 /nfs/dbraw/zinc/11/21/47/1134112147.db2.gz YRWZRUUOWSDHJD-UHFFFAOYSA-N 0 1 271.364 3.848 20 0 CHADMN Cc1cc(C)n(-c2ccc(Nc3cnc(N)cc3C)cc2)n1 ZINC001209969393 1134112722 /nfs/dbraw/zinc/11/27/22/1134112722.db2.gz MRVHGQXQMFQHER-UHFFFAOYSA-N 0 1 293.374 3.518 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(-c2ccccn2)cc1 ZINC001209969984 1134113009 /nfs/dbraw/zinc/11/30/09/1134113009.db2.gz PUMQIAYMUGKVEF-UHFFFAOYSA-N 0 1 276.343 3.778 20 0 CHADMN CCCC=CNc1nc(Br)cnc1Cl ZINC001210058761 1134139877 /nfs/dbraw/zinc/13/98/77/1134139877.db2.gz RFXREVZZADKZAX-SNAWJCMRSA-N 0 1 276.565 3.618 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cnc(Cl)nc1Cl ZINC001210100116 1134145920 /nfs/dbraw/zinc/14/59/20/1134145920.db2.gz GLPBOVSNYGOAHF-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1nc2ccc(F)cc2o1 ZINC001210100370 1134146078 /nfs/dbraw/zinc/14/60/78/1134146078.db2.gz QUQMTKZNYKMHSA-UHFFFAOYSA-N 0 1 282.278 3.895 20 0 CHADMN COc1cc(Nc2cc3cn[nH]c3cc2C)cnc1Cl ZINC001210101576 1134146703 /nfs/dbraw/zinc/14/67/03/1134146703.db2.gz HFBGJARTIZQERM-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cnc2occc2c1 ZINC001210102810 1134146735 /nfs/dbraw/zinc/14/67/35/1134146735.db2.gz UTIIEEINGMQPJR-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN CC(=O)c1cc(Nc2cc3cn[nH]c3cc2C)cnc1C ZINC001210102191 1134146869 /nfs/dbraw/zinc/14/68/69/1134146869.db2.gz MNYBGFMUGXIUDQ-UHFFFAOYSA-N 0 1 280.331 3.521 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cn2c(cccc2Cl)n1 ZINC001210102658 1134147319 /nfs/dbraw/zinc/14/73/19/1134147319.db2.gz RIJCZBABWKBXAG-UHFFFAOYSA-N 0 1 297.749 3.916 20 0 CHADMN COc1cc(Nc2cc3cn[nH]c3cc2C)cc(Cl)n1 ZINC001210101614 1134147324 /nfs/dbraw/zinc/14/73/24/1134147324.db2.gz HZRABDJSFCOTPK-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN CC(=O)c1cccc(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210102934 1134147329 /nfs/dbraw/zinc/14/73/29/1134147329.db2.gz RIMQAZZXWJRLID-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cn(CC2CCC2)cn1 ZINC001210103327 1134147803 /nfs/dbraw/zinc/14/78/03/1134147803.db2.gz YFIADDKJIHUIPW-UHFFFAOYSA-N 0 1 281.363 3.612 20 0 CHADMN CC(=O)Nc1cccc(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210103325 1134147916 /nfs/dbraw/zinc/14/79/16/1134147916.db2.gz YEKNATBRANQNJR-UHFFFAOYSA-N 0 1 280.331 3.573 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(F)ccc1F ZINC001210103371 1134148050 /nfs/dbraw/zinc/14/80/50/1134148050.db2.gz ZHNLTBOCITVORQ-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(F)cc(N)c1Cl ZINC001210107028 1134149002 /nfs/dbraw/zinc/14/90/02/1134149002.db2.gz YIKSSJLHWVJBPV-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN Cc1ncn(C)c1Nc1c(F)cccc1C(F)(F)F ZINC001210129082 1134153401 /nfs/dbraw/zinc/15/34/01/1134153401.db2.gz ZCEWJVITDUHIKX-UHFFFAOYSA-N 0 1 273.233 3.630 20 0 CHADMN Fc1cccc(C(F)(F)F)c1Nc1noc2nccnc12 ZINC001210129389 1134154072 /nfs/dbraw/zinc/15/40/72/1134154072.db2.gz WZFATUQLYUMWHQ-UHFFFAOYSA-N 0 1 298.199 3.519 20 0 CHADMN CC1(C)CCC(=Nc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC001210165499 1134158426 /nfs/dbraw/zinc/15/84/26/1134158426.db2.gz FTNBCHIEHOLWPJ-UHFFFAOYSA-N 0 1 297.395 3.735 20 0 CHADMN CNC(=O)c1ccc(F)c(N=C2CCC(C)(C)CC2)c1 ZINC001210166371 1134159069 /nfs/dbraw/zinc/15/90/69/1134159069.db2.gz UIHZNUMUIXAPMX-UHFFFAOYSA-N 0 1 276.355 3.691 20 0 CHADMN Cc1cccc2ncc(Nc3ccc(OC(F)F)cc3)n21 ZINC001210324872 1134193148 /nfs/dbraw/zinc/19/31/48/1134193148.db2.gz CCEVJAVGRNOHDO-UHFFFAOYSA-N 0 1 289.285 3.988 20 0 CHADMN Cc1cc(C)nc(Nc2ccc(NC(=O)N(C)C)cc2)c1 ZINC001210632659 1134264037 /nfs/dbraw/zinc/26/40/37/1134264037.db2.gz LRIUWKCLGTYLHY-UHFFFAOYSA-N 0 1 284.363 3.536 20 0 CHADMN CCc1cccc(C)c1Nc1ccnn1-c1ccncc1 ZINC001210875078 1134322647 /nfs/dbraw/zinc/32/26/47/1134322647.db2.gz RBLRLSOTYSNGRR-UHFFFAOYSA-N 0 1 278.359 3.882 20 0 CHADMN CCc1cc(Nc2cc(Cl)c(O)c(Cl)c2)on1 ZINC001210925910 1134329017 /nfs/dbraw/zinc/32/90/17/1134329017.db2.gz DKONKKZGEGDJFJ-UHFFFAOYSA-N 0 1 273.119 3.993 20 0 CHADMN Cc1[nH+]ccn1-c1ccc(Nc2ccccc2C(=O)[O-])cc1 ZINC001210967353 1134341014 /nfs/dbraw/zinc/34/10/14/1134341014.db2.gz CIUKOUUTGNJWCT-UHFFFAOYSA-N 0 1 293.326 3.623 20 0 CHADMN C=C(Nc1cc(OC)c(OC)cc1C(C)=O)c1ccccc1 ZINC001210985482 1134343115 /nfs/dbraw/zinc/34/31/15/1134343115.db2.gz PLTOPBDGGOXMOF-UHFFFAOYSA-N 0 1 297.354 3.989 20 0 CHADMN CC(=Nc1ccc2c(c1)S(=O)(=O)C=C2)c1ccccc1 ZINC001210989390 1134343851 /nfs/dbraw/zinc/34/38/51/1134343851.db2.gz MGODLVCPAQPEND-UHFFFAOYSA-N 0 1 283.352 3.527 20 0 CHADMN COC(=O)c1cc(N=C(C)c2ccccc2)cc(OC)c1 ZINC001210989421 1134344472 /nfs/dbraw/zinc/34/44/72/1134344472.db2.gz NLYGXBCSHWPVFU-UHFFFAOYSA-N 0 1 283.327 3.565 20 0 CHADMN CSc1ccc(Nc2ccc3nccn3c2)cc1F ZINC001211108765 1134370735 /nfs/dbraw/zinc/37/07/35/1134370735.db2.gz MVOYMFIASKWNAZ-UHFFFAOYSA-N 0 1 273.336 3.939 20 0 CHADMN Cc1nc2cc(Nc3cnc4ccc(O)cc4c3)ccc2[nH]1 ZINC001213071493 1134419038 /nfs/dbraw/zinc/41/90/38/1134419038.db2.gz UYNTVKYFBQNVPX-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1nc2cc(Nc3cc(F)nc(F)c3Cl)ccc2[nH]1 ZINC001213071160 1134419512 /nfs/dbraw/zinc/41/95/12/1134419512.db2.gz BZEFJFIWDVTTEJ-UHFFFAOYSA-N 0 1 294.692 3.942 20 0 CHADMN CC(=O)Nc1ccc(Nc2ccc3[nH]c(C)nc3c2)cc1 ZINC001213074377 1134420813 /nfs/dbraw/zinc/42/08/13/1134420813.db2.gz RMGBAUSKLPGXTA-UHFFFAOYSA-N 0 1 280.331 3.573 20 0 CHADMN Cc1nc2ccc(Nc3nsc4ncccc34)cc2[nH]1 ZINC001213072406 1134421223 /nfs/dbraw/zinc/42/12/23/1134421223.db2.gz ROZMUXBMCUHYCD-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1nc2cc(Nc3ccc4cn(C)nc4c3)ccc2[nH]1 ZINC001213074084 1134421837 /nfs/dbraw/zinc/42/18/37/1134421837.db2.gz BTCVISVZVOLMIJ-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1nc2cc(Nc3ccccc3N(C)C)ccc2[nH]1 ZINC001213073275 1134421920 /nfs/dbraw/zinc/42/19/20/1134421920.db2.gz LNWHRUPFXJFCGD-UHFFFAOYSA-N 0 1 266.348 3.681 20 0 CHADMN Cc1nc2cc(Nc3cccc4nsnc43)ccc2[nH]1 ZINC001213073316 1134421976 /nfs/dbraw/zinc/42/19/76/1134421976.db2.gz MRVPOGCUOALESW-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1nc2cc(Nc3cc(F)c(O)cc3F)ccc2[nH]1 ZINC001213075488 1134422542 /nfs/dbraw/zinc/42/25/42/1134422542.db2.gz UKHQWLZYWUSCHO-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1nc2cc(Nc3cc4snnc4c(C)c3)ccc2[nH]1 ZINC001213076494 1134423406 /nfs/dbraw/zinc/42/34/06/1134423406.db2.gz UILBKXJDLPJKAG-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN CC(C)(C)c1cc(Nc2nnccc2C(F)(F)F)ccn1 ZINC001213166506 1134432680 /nfs/dbraw/zinc/43/26/80/1134432680.db2.gz FWRWLNFPKCBVEB-UHFFFAOYSA-N 0 1 296.296 3.932 20 0 CHADMN CC(C)(C)c1cc(Nc2cc(C(F)(F)F)cnn2)ccn1 ZINC001213164304 1134433361 /nfs/dbraw/zinc/43/33/61/1134433361.db2.gz NEZSDRUTCVTRED-UHFFFAOYSA-N 0 1 296.296 3.932 20 0 CHADMN Cc1cc(C)n2nc(Nc3ccnc(C(C)(C)C)c3)cc2n1 ZINC001213162922 1134433557 /nfs/dbraw/zinc/43/35/57/1134433557.db2.gz MKYJTYQSGRLVOP-UHFFFAOYSA-N 0 1 295.390 3.782 20 0 CHADMN CCOc1ccc(Nc2c(C)ncn2C)c(C(F)(F)F)c1 ZINC001213234347 1134437380 /nfs/dbraw/zinc/43/73/80/1134437380.db2.gz NXAAFLRSMZHOOF-UHFFFAOYSA-N 0 1 299.296 3.890 20 0 CHADMN Cc1cc(C2CC2)cc(F)c1-n1[nH]c(=O)c2ccc(N)cc21 ZINC001213469058 1134451172 /nfs/dbraw/zinc/45/11/72/1134451172.db2.gz VKQBUKHSXKDUJM-UHFFFAOYSA-N 0 1 297.333 3.638 20 0 CHADMN Cc1ncc(C2CC2)cc1Nc1ccnn1-c1ccncc1 ZINC001213496867 1134453858 /nfs/dbraw/zinc/45/38/58/1134453858.db2.gz BCFOAVCLFUNTIV-UHFFFAOYSA-N 0 1 291.358 3.592 20 0 CHADMN Cc1cc(Cl)ccc1-c1noc(-c2cc(Cl)[nH]n2)n1 ZINC001213498184 1134455489 /nfs/dbraw/zinc/45/54/89/1134455489.db2.gz AOKYRUJUUDJFAL-UHFFFAOYSA-N 0 1 295.129 3.742 20 0 CHADMN COCc1ccc(C)c(Nc2ccc3nccn3c2)c1 ZINC001213571232 1134464005 /nfs/dbraw/zinc/46/40/05/1134464005.db2.gz MXRLBFZTNZBEBX-UHFFFAOYSA-N 0 1 267.332 3.533 20 0 CHADMN c1ccc(OCc2ccc(Nc3ccncc3)cc2)cc1 ZINC001213615172 1134469121 /nfs/dbraw/zinc/46/91/21/1134469121.db2.gz JZTFHKISSUSFFF-UHFFFAOYSA-N 0 1 276.339 3.826 20 0 CHADMN Nc1ccc(F)cc1Nc1ccncc1Oc1ccccc1 ZINC001214196855 1134520263 /nfs/dbraw/zinc/52/02/63/1134520263.db2.gz OBJRBUADBPYJQZ-UHFFFAOYSA-N 0 1 295.317 3.761 20 0 CHADMN COc1cc(CN2CCc3ccccc3[C@@H]2C)ccc1O ZINC000180089499 1134565665 /nfs/dbraw/zinc/56/56/65/1134565665.db2.gz DSDAKKYDPOYMOT-ZDUSSCGKSA-N 0 1 283.371 3.520 20 0 CHADMN CCc1cccc(Nc2ccc(Cl)c(O)c2F)n1 ZINC001214796521 1134573923 /nfs/dbraw/zinc/57/39/23/1134573923.db2.gz ZZUWBSDGASRSAE-UHFFFAOYSA-N 0 1 266.703 3.886 20 0 CHADMN Oc1c(Cl)ccc(Nc2cc(C(F)(F)F)no2)c1F ZINC001214793844 1134574309 /nfs/dbraw/zinc/57/43/09/1134574309.db2.gz NIKLWKNULBCGND-UHFFFAOYSA-N 0 1 296.607 3.935 20 0 CHADMN COc1cc(Nc2ccc(Cl)c(O)c2F)ncc1C ZINC001214797680 1134574371 /nfs/dbraw/zinc/57/43/71/1134574371.db2.gz CYDXPTDXDLBACA-UHFFFAOYSA-N 0 1 282.702 3.640 20 0 CHADMN Oc1c(F)cccc1Nc1ccc(Cl)c(O)c1F ZINC001214801447 1134574902 /nfs/dbraw/zinc/57/49/02/1134574902.db2.gz KPAWEKBDTBFAHG-UHFFFAOYSA-N 0 1 271.650 3.773 20 0 CHADMN CC(=O)c1cccc(Nc2ccc(Cl)c(O)c2F)c1O ZINC001214803766 1134575434 /nfs/dbraw/zinc/57/54/34/1134575434.db2.gz GGYVAZKEXDJFIV-UHFFFAOYSA-N 0 1 295.697 3.837 20 0 CHADMN Cc1cc(N)c(F)cc1Nc1ccc(Cl)c(O)c1F ZINC001214806273 1134576286 /nfs/dbraw/zinc/57/62/86/1134576286.db2.gz CLIBAFXIWPUXJA-UHFFFAOYSA-N 0 1 284.693 3.958 20 0 CHADMN c1n[nH]c2c1[C@H](Nc1ccc3oc(C4CC4)nc3c1)CCC2 ZINC000401596714 1134616831 /nfs/dbraw/zinc/61/68/31/1134616831.db2.gz WMMLAPMROAYLNG-CYBMUJFWSA-N 0 1 294.358 3.918 20 0 CHADMN Cc1ccc(N[C@@H]2CCCc3[nH]ncc32)c(Cl)c1 ZINC000401613327 1134617512 /nfs/dbraw/zinc/61/75/12/1134617512.db2.gz OWMMEKDLRINFEG-GFCCVEGCSA-N 0 1 261.756 3.861 20 0 CHADMN CCOc1ccc(N[C@@H]2CCCc3[nH]ncc32)c(C)c1 ZINC000401929850 1134626980 /nfs/dbraw/zinc/62/69/80/1134626980.db2.gz HNOOKYPNJBHHEH-OAHLLOKOSA-N 0 1 271.364 3.606 20 0 CHADMN CSc1ccc(F)cc1Nc1ccc2nccn2c1 ZINC001215446197 1134627552 /nfs/dbraw/zinc/62/75/52/1134627552.db2.gz HANNEQOMNLRULG-UHFFFAOYSA-N 0 1 273.336 3.939 20 0 CHADMN Cc1cc(O)cc(Nc2cc(C)nc3ccccc32)c1 ZINC001215504693 1134634567 /nfs/dbraw/zinc/63/45/67/1134634567.db2.gz DPOSQWURNCLTQL-UHFFFAOYSA-N 0 1 264.328 3.723 20 0 CHADMN Cc1c(Cl)ccc(-n2c(N)nc3ccccc32)c1F ZINC001215524937 1134637782 /nfs/dbraw/zinc/63/77/82/1134637782.db2.gz YVZSONBLXSUYPV-UHFFFAOYSA-N 0 1 275.714 3.709 20 0 CHADMN COCc1cc(C)c(-n2c(N)nc3ccc(C)cc32)c(C)c1 ZINC001215529443 1134638501 /nfs/dbraw/zinc/63/85/01/1134638501.db2.gz TWULVTFZVXRPKW-UHFFFAOYSA-N 0 1 295.386 3.679 20 0 CHADMN Fc1cc(Nc2ncc(Cl)cc2F)cc2n[nH]cc21 ZINC001215553055 1134639440 /nfs/dbraw/zinc/63/94/40/1134639440.db2.gz MPWFJSFSYQSQBO-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN COC(=O)c1ccc(Nc2cc3[nH]ncc3c(F)c2)cc1C ZINC001215554779 1134640913 /nfs/dbraw/zinc/64/09/13/1134640913.db2.gz HJBZKPJRLRDWSM-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN CN(C)c1ccccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555001 1134641177 /nfs/dbraw/zinc/64/11/77/1134641177.db2.gz PCAQATWKIWAKDT-UHFFFAOYSA-N 0 1 270.311 3.512 20 0 CHADMN Cc1ccc(N)c(Nc2cc3[nH]ncc3c(F)c2)c1C ZINC001215555987 1134641247 /nfs/dbraw/zinc/64/12/47/1134641247.db2.gz SDPMFKQMQYKHDA-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN Cc1c(Cl)cc(N)cc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215556375 1134642101 /nfs/dbraw/zinc/64/21/01/1134642101.db2.gz CIEHEZQJQWRNLW-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN O=c1cccc2[nH]cc(Nc3cc4[nH]ncc4c(F)c3)cc1-2 ZINC001215556651 1134642125 /nfs/dbraw/zinc/64/21/25/1134642125.db2.gz WLEQGFVRKTVSPV-UHFFFAOYSA-N 0 1 294.289 3.699 20 0 CHADMN Fc1cc(Nc2cccc3c2CCCO3)cc2[nH]ncc21 ZINC001215559218 1134643397 /nfs/dbraw/zinc/64/33/97/1134643397.db2.gz RGGFWCKLEOONKG-UHFFFAOYSA-N 0 1 283.306 3.771 20 0 CHADMN Cc1cc[nH+]c(C)c1Nc1ccc(Cl)c(C(=O)[O-])c1F ZINC001215695848 1134660757 /nfs/dbraw/zinc/66/07/57/1134660757.db2.gz XLHBTFCAUCNFDK-UHFFFAOYSA-N 0 1 294.713 3.933 20 0 CHADMN COc1cc(Nc2cc(C)c(F)c(OC)c2)ncc1C ZINC001215701144 1134661545 /nfs/dbraw/zinc/66/15/45/1134661545.db2.gz BEPXBMHJTHRWLQ-UHFFFAOYSA-N 0 1 276.311 3.598 20 0 CHADMN Cc1ccc(Nc2ccc(OC(F)F)nc2)c2cn[nH]c21 ZINC001215756049 1134674542 /nfs/dbraw/zinc/67/45/42/1134674542.db2.gz KJQXBMHMITWUDU-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN COc1cc(Nc2ccc(C)c3[nH]ncc32)cc(OC)c1 ZINC001215757056 1134674917 /nfs/dbraw/zinc/67/49/17/1134674917.db2.gz KATKYDCUCXEAPK-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN Cc1ccc(Nc2cnc(Cl)nc2Cl)c2cn[nH]c21 ZINC001215755377 1134675215 /nfs/dbraw/zinc/67/52/15/1134675215.db2.gz PNRJFZVQBZYDCA-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN COc1cccc(OC)c1Nc1ccc(C)c2[nH]ncc21 ZINC001215757177 1134675688 /nfs/dbraw/zinc/67/56/88/1134675688.db2.gz NVBKIPYPTOTZBX-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN Cc1nn(C)c2ccc(Nc3ccc(C)c4[nH]ncc43)cc12 ZINC001215758037 1134676603 /nfs/dbraw/zinc/67/66/03/1134676603.db2.gz FZBUUGBUQNVTRJ-UHFFFAOYSA-N 0 1 291.358 3.810 20 0 CHADMN Cc1ccc(Nc2c(N)ccc(C)c2C)c2cn[nH]c21 ZINC001215757946 1134676703 /nfs/dbraw/zinc/67/67/03/1134676703.db2.gz AJEHAVPZTALWJC-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN Cc1ccc(Nc2cccc(O)c2C)c2cn[nH]c21 ZINC001215759797 1134677075 /nfs/dbraw/zinc/67/70/75/1134677075.db2.gz WITSPAGWWFYBNW-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1ccc(Nc2ccc3c(c2)CCC3=O)c2cn[nH]c21 ZINC001215758785 1134677167 /nfs/dbraw/zinc/67/71/67/1134677167.db2.gz XSFORXFHYXCWOR-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN Cc1ccc(Nc2cc(Cl)ccc2CO)c2cn[nH]c21 ZINC001215759436 1134677294 /nfs/dbraw/zinc/67/72/94/1134677294.db2.gz KSFPSRRQBGDFKF-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1ccc(Nc2cc(F)c(O)c(F)c2)c2cn[nH]c21 ZINC001215758739 1134677458 /nfs/dbraw/zinc/67/74/58/1134677458.db2.gz WJNRZNVEHADCSY-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1ccc(Nc2ccccc2[C@@H](C)O)c2cn[nH]c21 ZINC001215758729 1134677530 /nfs/dbraw/zinc/67/75/30/1134677530.db2.gz DEKFEQZHGMNTGU-LLVKDONJSA-N 0 1 267.332 3.668 20 0 CHADMN Cc1ccc(Nc2cccc3c2COC3)c2cn[nH]c21 ZINC001215759309 1134677552 /nfs/dbraw/zinc/67/75/52/1134677552.db2.gz KDFZMSFWSHXVQY-UHFFFAOYSA-N 0 1 265.316 3.645 20 0 CHADMN CCn1ncc2cc(Nc3ccc(C)c4[nH]ncc43)ccc21 ZINC001215759840 1134677573 /nfs/dbraw/zinc/67/75/73/1134677573.db2.gz YJPBIJGVZTYOOK-UHFFFAOYSA-N 0 1 291.358 3.985 20 0 CHADMN Cc1ccc(CCCO)c(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215759714 1134677714 /nfs/dbraw/zinc/67/77/14/1134677714.db2.gz RLAUDTQASUVNNR-UHFFFAOYSA-N 0 1 295.386 3.848 20 0 CHADMN CC(=O)Oc1ccc(F)c(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215760331 1134678283 /nfs/dbraw/zinc/67/82/83/1134678283.db2.gz LAPJNQQIDULCRQ-UHFFFAOYSA-N 0 1 299.305 3.679 20 0 CHADMN Cc1ccc(Nc2ccc(CO)cc2Cl)c2cn[nH]c21 ZINC001215760606 1134678575 /nfs/dbraw/zinc/67/85/75/1134678575.db2.gz RLQBWAGJHHXOBC-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1ccc(Nc2ccc3c(c2C)OCCO3)c2cn[nH]c21 ZINC001215760812 1134678936 /nfs/dbraw/zinc/67/89/36/1134678936.db2.gz WNQCDJPPZSEPOY-UHFFFAOYSA-N 0 1 295.342 3.695 20 0 CHADMN Oc1ccc(-c2nc(-c3ccc4occc4c3)no2)cc1F ZINC001215791773 1134687546 /nfs/dbraw/zinc/68/75/46/1134687546.db2.gz GELKZAIBPOEUQX-UHFFFAOYSA-N 0 1 296.257 3.995 20 0 CHADMN Cc1ccc(-c2noc(-c3ccc(O)c(F)c3)n2)c(F)c1 ZINC001215792579 1134688205 /nfs/dbraw/zinc/68/82/05/1134688205.db2.gz WQJLFEJDZYRGPN-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Oc1ccc(-c2nc(-c3ccc(F)cc3F)no2)cc1F ZINC001215792613 1134688363 /nfs/dbraw/zinc/68/83/63/1134688363.db2.gz YICFUGCKUDQIDT-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN Cc1cccc(N)c1Nc1cc(Cl)cc2[nH]ncc21 ZINC001215860445 1134705727 /nfs/dbraw/zinc/70/57/27/1134705727.db2.gz BNDOQUGHZSRPNB-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN COc1c(C)cc(C)cc1Nc1ccc2nccn2c1 ZINC001215996568 1134745791 /nfs/dbraw/zinc/74/57/91/1134745791.db2.gz DOKGWBPYPPTAAV-UHFFFAOYSA-N 0 1 267.332 3.703 20 0 CHADMN CNc1cc(F)cc(Nc2cnc3cccc(C)n23)c1 ZINC001216186809 1134800302 /nfs/dbraw/zinc/80/03/02/1134800302.db2.gz OSHXFFFTJXNVKR-UHFFFAOYSA-N 0 1 270.311 3.567 20 0 CHADMN CN(C)Cc1cccc(Nc2cc(C3CCC3)no2)c1F ZINC001216226894 1134812862 /nfs/dbraw/zinc/81/28/62/1134812862.db2.gz GAKPOKWXZMFGIC-UHFFFAOYSA-N 0 1 289.354 3.886 20 0 CHADMN CN(C)Cc1cccc(Nc2ccsc2)c1F ZINC001216227306 1134812949 /nfs/dbraw/zinc/81/29/49/1134812949.db2.gz AKMYURXKYHCCTO-UHFFFAOYSA-N 0 1 250.342 3.692 20 0 CHADMN CN(C)Cc1cccc(Nc2ncccc2C2CC2)c1F ZINC001216229125 1134813074 /nfs/dbraw/zinc/81/30/74/1134813074.db2.gz ZPFUUAJLVUUHCF-UHFFFAOYSA-N 0 1 285.366 3.903 20 0 CHADMN CN(C)Cc1cccc(Nc2cccnc2C2CC2)c1F ZINC001216227959 1134813106 /nfs/dbraw/zinc/81/31/06/1134813106.db2.gz NYJAGRFUXPPATE-UHFFFAOYSA-N 0 1 285.366 3.903 20 0 CHADMN Cc1ncc(Cl)cc1Nc1cccc(CN(C)C)c1F ZINC001216228108 1134813586 /nfs/dbraw/zinc/81/35/86/1134813586.db2.gz QGZLSBSSUZQSOO-UHFFFAOYSA-N 0 1 293.773 3.988 20 0 CHADMN CCc1ccc(O)c(Nc2cccc(CN(C)C)c2F)c1 ZINC001216231152 1134814716 /nfs/dbraw/zinc/81/47/16/1134814716.db2.gz BKBVRKCTJXBBKX-UHFFFAOYSA-N 0 1 288.366 3.899 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc3cnn(C)c3c2)c1F ZINC001216231022 1134814828 /nfs/dbraw/zinc/81/48/28/1134814828.db2.gz NSBYBFNDWWAFCY-UHFFFAOYSA-N 0 1 298.365 3.518 20 0 CHADMN CN(C)Cc1cccc(Nc2cccc(Cl)c2O)c1F ZINC001216230743 1134815015 /nfs/dbraw/zinc/81/50/15/1134815015.db2.gz AKOOKKCHJLMTQP-UHFFFAOYSA-N 0 1 294.757 3.990 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc(O)c(F)c2F)c1F ZINC001216231036 1134815465 /nfs/dbraw/zinc/81/54/65/1134815465.db2.gz OOYQERJKUDZAAZ-UHFFFAOYSA-N 0 1 296.292 3.615 20 0 CHADMN CC(C)(C)n1cc(Nc2cncn2Cc2ccccc2)cn1 ZINC001216550286 1134918764 /nfs/dbraw/zinc/91/87/64/1134918764.db2.gz UDGBSXTVZHYTGY-UHFFFAOYSA-N 0 1 295.390 3.627 20 0 CHADMN COc1ccc(Nc2cncn2Cc2ccccc2)c(F)c1 ZINC001216552545 1134918862 /nfs/dbraw/zinc/91/88/62/1134918862.db2.gz SHNJDIVAWASVRX-UHFFFAOYSA-N 0 1 297.333 3.823 20 0 CHADMN Nc1ccc(Cl)cc1Nc1cncn1Cc1ccccc1 ZINC001216553795 1134919632 /nfs/dbraw/zinc/91/96/32/1134919632.db2.gz NHEDGHFTWHJTSJ-UHFFFAOYSA-N 0 1 298.777 3.911 20 0 CHADMN COc1cc(F)ccc1Nc1cncn1Cc1ccccc1 ZINC001216553548 1134919705 /nfs/dbraw/zinc/91/97/05/1134919705.db2.gz FQLHDWNZWRGRTP-UHFFFAOYSA-N 0 1 297.333 3.823 20 0 CHADMN Oc1cccc(F)c1Nc1cncn1Cc1ccccc1 ZINC001216554050 1134920365 /nfs/dbraw/zinc/92/03/65/1134920365.db2.gz UWRPCMRXQWXESD-UHFFFAOYSA-N 0 1 283.306 3.520 20 0 CHADMN Oc1cc(Nc2cncn2Cc2ccccc2)ccc1F ZINC001216554052 1134920579 /nfs/dbraw/zinc/92/05/79/1134920579.db2.gz UXOSQPBISZELFW-UHFFFAOYSA-N 0 1 283.306 3.520 20 0 CHADMN BrC1=CCCN(CCCc2ccccc2)C1 ZINC000404170140 1134933948 /nfs/dbraw/zinc/93/39/48/1134933948.db2.gz DMNJNFHTXDAQRC-UHFFFAOYSA-N 0 1 280.209 3.604 20 0 CHADMN Oc1ccc(F)c(F)c1-c1nc(-c2ccc(F)cc2)no1 ZINC001216929103 1134953936 /nfs/dbraw/zinc/95/39/36/1134953936.db2.gz NTNQGWZFIRWMGQ-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN Cc1ccc(-c2noc(-c3cc(O)c(F)c(F)c3)n2)cc1 ZINC001216973327 1134957241 /nfs/dbraw/zinc/95/72/41/1134957241.db2.gz MTWOMACGPXVYAH-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Cc1cccc(-c2noc(-c3ccc4[nH]cnc4c3)n2)c1 ZINC001217131520 1134964157 /nfs/dbraw/zinc/96/41/57/1134964157.db2.gz PSTKQUGHJCWCMZ-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN Cc1cc(-c2noc(-c3cnc4[nH]cccc3-4)n2)ccc1F ZINC001217146308 1134965010 /nfs/dbraw/zinc/96/50/10/1134965010.db2.gz SIMHBBAZINLHCV-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Clc1c[nH]c2cc(-c3nc(-c4ccccc4)no3)nc-2c1 ZINC001217383654 1134975075 /nfs/dbraw/zinc/97/50/75/1134975075.db2.gz QOWITZAPMJVVFC-UHFFFAOYSA-N 0 1 296.717 3.933 20 0 CHADMN CCc1cccc(-c2noc(-c3cccc4cncn43)n2)c1 ZINC001217588728 1134984647 /nfs/dbraw/zinc/98/46/47/1134984647.db2.gz CBGBWHPGXOZRFT-UHFFFAOYSA-N 0 1 290.326 3.614 20 0 CHADMN Cc1ccc(-c2noc(-c3cccc4cncn43)n2)cc1C ZINC001217589671 1134984850 /nfs/dbraw/zinc/98/48/50/1134984850.db2.gz YRLKTJCRLVEPPM-UHFFFAOYSA-N 0 1 290.326 3.668 20 0 CHADMN CC(C)c1ccc(-c2nnc([C@@H]3CC[C@H](C)CN3)o2)cc1 ZINC001217701638 1134987199 /nfs/dbraw/zinc/98/71/99/1134987199.db2.gz FDQAQOHKQCJNID-WFASDCNBSA-N 0 1 285.391 3.921 20 0 CHADMN CC(C)(N)c1nnc(-c2ccc(Oc3ccccc3)cc2)o1 ZINC001217696852 1134987253 /nfs/dbraw/zinc/98/72/53/1134987253.db2.gz PGERNPMJIASLBX-UHFFFAOYSA-N 0 1 295.342 3.723 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H]2c2nnc([C@@H]3CC[C@H](C)CN3)o2)cc1 ZINC001217701323 1134987513 /nfs/dbraw/zinc/98/75/13/1134987513.db2.gz DFTJNHLTPKUCOE-TUUVXOQKSA-N 0 1 297.402 3.710 20 0 CHADMN CC(C)(N)c1nnc(-c2cccc(Oc3ccccc3)c2)o1 ZINC001217696325 1134988202 /nfs/dbraw/zinc/98/82/02/1134988202.db2.gz GRPORCUVENWSNH-UHFFFAOYSA-N 0 1 295.342 3.723 20 0 CHADMN C[C@@H]1CCN[C@@H](c2nnc(-c3ccc4ccccc4c3)o2)C1 ZINC001217702917 1134989568 /nfs/dbraw/zinc/98/95/68/1134989568.db2.gz QAVHANSGJFVDPT-MLGOLLRUSA-N 0 1 293.370 3.950 20 0 CHADMN CC[C@H](C)[C@H](NC)c1nnc(CCCc2ccccc2)o1 ZINC001217722683 1134991424 /nfs/dbraw/zinc/99/14/24/1134991424.db2.gz AKIJFZXYEDPBOW-BBRMVZONSA-N 0 1 287.407 3.552 20 0 CHADMN CN[C@H](c1nnc(CCCc2ccccc2)o1)C(C)(C)C ZINC001217736410 1134993837 /nfs/dbraw/zinc/99/38/37/1134993837.db2.gz JGMUDUMFVFJYQH-OAHLLOKOSA-N 0 1 287.407 3.552 20 0 CHADMN C[C@@H]1CC[C@H](C)[C@@H](OCc2cccc3nc[nH]c32)C1 ZINC001217857226 1135009792 /nfs/dbraw/zinc/00/97/92/1135009792.db2.gz JHYNZCSKXMTYTL-XUJVJEKNSA-N 0 1 258.365 3.904 20 0 CHADMN C[C@@H]1CC[C@H](C)[C@H](OCc2cccc3nc[nH]c32)C1 ZINC001217857223 1135009820 /nfs/dbraw/zinc/00/98/20/1135009820.db2.gz JHYNZCSKXMTYTL-TYNCELHUSA-N 0 1 258.365 3.904 20 0 CHADMN N[C@@H](C(=O)Nc1cc2ccccc2s1)c1ccccc1 ZINC001218581924 1135118991 /nfs/dbraw/zinc/11/89/91/1135118991.db2.gz QHWKYPQWQBTGNQ-OAHLLOKOSA-N 0 1 282.368 3.540 20 0 CHADMN CC[C@H](C)C[C@H](C)NC(=O)[C@H](N)c1ccc2ccccc2c1 ZINC001220240223 1135148218 /nfs/dbraw/zinc/14/82/18/1135148218.db2.gz HCLZDBMNDNXVEF-SUNYJGFJSA-N 0 1 298.430 3.781 20 0 CHADMN CCOc1ccc([C@H](C)NCc2nc3ccccc3[nH]2)cc1 ZINC000315218006 1135152420 /nfs/dbraw/zinc/15/24/20/1135152420.db2.gz OTQWZZBGBQLGJF-ZDUSSCGKSA-N 0 1 295.386 3.812 20 0 CHADMN COc1c(F)c(C)ccc1-c1cccc2nc(C)[nH]c21 ZINC001222308463 1135221406 /nfs/dbraw/zinc/22/14/06/1135221406.db2.gz FNNHOASIJQNJPA-UHFFFAOYSA-N 0 1 270.307 3.994 20 0 CHADMN Nc1ccc(F)c(CN2CCCC3(CCCC3)C2)c1F ZINC001222400745 1135236439 /nfs/dbraw/zinc/23/64/39/1135236439.db2.gz GNFXGKIDAJQABY-UHFFFAOYSA-N 0 1 280.362 3.703 20 0 CHADMN S=c1nc2[nH]cnc(-c3ccccc3Cl)c-2s1 ZINC001222423667 1135240285 /nfs/dbraw/zinc/24/02/85/1135240285.db2.gz XMTCOERAJOXOER-UHFFFAOYSA-N 0 1 279.777 3.695 20 0 CHADMN CC[C@@H](OCc1cnc[nH]1)c1ccc(Br)cc1 ZINC001222999736 1135292768 /nfs/dbraw/zinc/29/27/68/1135292768.db2.gz GVGXNMGINWXGQJ-CYBMUJFWSA-N 0 1 295.180 3.840 20 0 CHADMN CC(C)Oc1ccc(COCc2cnc[nH]2)cc1Cl ZINC001223007097 1135294454 /nfs/dbraw/zinc/29/44/54/1135294454.db2.gz GFTRRGUKJKAMIY-UHFFFAOYSA-N 0 1 280.755 3.567 20 0 CHADMN c1ncc(COC(c2ccccc2)c2ccccc2)[nH]1 ZINC001223001903 1135294733 /nfs/dbraw/zinc/29/47/33/1135294733.db2.gz NXSVBZZVTQQIPE-UHFFFAOYSA-N 0 1 264.328 3.716 20 0 CHADMN CCCCCCO[C@H]1CCN2Cc3ccccc3N=C12 ZINC001224670326 1135468481 /nfs/dbraw/zinc/46/84/81/1135468481.db2.gz SSURIGHRSOFZIT-INIZCTEOSA-N 0 1 272.392 3.901 20 0 CHADMN FCCN1CCC(OCCCCCc2ccccc2)CC1 ZINC001224805968 1135484011 /nfs/dbraw/zinc/48/40/11/1135484011.db2.gz KRQWFPQRXORLLS-UHFFFAOYSA-N 0 1 293.426 3.850 20 0 CHADMN C[N@H+]1CCC[C@H](Oc2ccccc2OCc2ccccc2)C1 ZINC001225216833 1135516209 /nfs/dbraw/zinc/51/62/09/1135516209.db2.gz SWAVAWLBUYQQRH-KRWDZBQOSA-N 0 1 297.398 3.739 20 0 CHADMN Cc1cc2c(ccc(O[C@H]3CCC[N@H+](C(C)C)C3)c2F)[nH]1 ZINC001225640503 1135601532 /nfs/dbraw/zinc/60/15/32/1135601532.db2.gz LCAXNNDZFBHLAL-ZDUSSCGKSA-N 0 1 290.382 3.867 20 0 CHADMN Clc1ccc2c(c1)CC[C@@H]2Oc1cccc2[nH]nnc21 ZINC001225990675 1135648370 /nfs/dbraw/zinc/64/83/70/1135648370.db2.gz GTYUXDMFTPRUIR-ZDUSSCGKSA-N 0 1 285.734 3.678 20 0 CHADMN COc1ccc([C@@H](Oc2cccc3[nH]nnc32)C(C)C)cc1 ZINC001225990772 1135649576 /nfs/dbraw/zinc/64/95/76/1135649576.db2.gz JXVQTMKXVGRVQH-KRWDZBQOSA-N 0 1 297.358 3.743 20 0 CHADMN Cc1cc(=O)[nH]c(O[C@@H](C)c2ccc(Cl)cc2Cl)n1 ZINC001226156915 1135669172 /nfs/dbraw/zinc/66/91/72/1135669172.db2.gz TVPSWGFESGQPGU-QMMMGPOBSA-N 0 1 299.157 3.937 20 0 CHADMN CCC[C@H](Oc1n[nH]c2ncccc12)c1ccccc1 ZINC001226304623 1135682505 /nfs/dbraw/zinc/68/25/05/1135682505.db2.gz DKEMWOQXYSYCOL-AWEZNQCLSA-N 0 1 267.332 3.878 20 0 CHADMN Cc1ccc2nc(O[C@H](C)c3ccncc3F)[nH]c2c1 ZINC001226510503 1135705672 /nfs/dbraw/zinc/70/56/72/1135705672.db2.gz ZCHVVTCIJIZCPX-SNVBAGLBSA-N 0 1 271.295 3.545 20 0 CHADMN Cc1ccc2nc(OCc3cncc(OC(C)C)c3)[nH]c2c1 ZINC001226508639 1135706142 /nfs/dbraw/zinc/70/61/42/1135706142.db2.gz LYSQMBZINIUGQY-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN Fc1ccc2nc(O[C@H]3CCCc4cccnc43)[nH]c2c1 ZINC001226700766 1135730099 /nfs/dbraw/zinc/73/00/99/1135730099.db2.gz DUGHTCTYXWEGNG-AWEZNQCLSA-N 0 1 283.306 3.553 20 0 CHADMN Fc1ccc2nc(O[C@@H]3CCc4ccccc43)[nH]c2c1 ZINC001226700824 1135730779 /nfs/dbraw/zinc/73/07/79/1135730779.db2.gz CJTRWANDTXBIRU-OAHLLOKOSA-N 0 1 268.291 3.768 20 0 CHADMN CCCCC(=O)c1ccc(O[C@@H]2CN3CCC2CC3)cc1 ZINC001226771775 1135739354 /nfs/dbraw/zinc/73/93/54/1135739354.db2.gz CKPLLSFFVUGTQG-GOSISDBHSA-N 0 1 287.403 3.533 20 0 CHADMN COc1ccc([C@H](C)Oc2ccc3nc[nH]c3c2)cc1 ZINC001226928068 1135761698 /nfs/dbraw/zinc/76/16/98/1135761698.db2.gz DSJUPHVWUAYJIQ-NSHDSACASA-N 0 1 268.316 3.712 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2Oc1ccc2nc[nH]c2c1 ZINC001226923939 1135762129 /nfs/dbraw/zinc/76/21/29/1135762129.db2.gz JWNIBJMTOURLOS-QGZVFWFLSA-N 0 1 264.328 3.938 20 0 CHADMN c1nc2ccc(O[C@@H]3C[C@H](OCc4ccccc4)C3)cc2[nH]1 ZINC001226930790 1135762678 /nfs/dbraw/zinc/76/26/78/1135762678.db2.gz YDMHVFHFRPXOSB-IYBDPMFKSA-N 0 1 294.354 3.690 20 0 CHADMN Cc1cnc(F)c([C@H](C)Oc2ccc3nc[nH]c3c2)c1 ZINC001226929252 1135762988 /nfs/dbraw/zinc/76/29/88/1135762988.db2.gz DEMSGOJGQFZYAG-JTQLQIEISA-N 0 1 271.295 3.545 20 0 CHADMN CCC[N@@H+](Cc1cc[nH]c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000426507192 1135766384 /nfs/dbraw/zinc/76/63/84/1135766384.db2.gz CLYUQIIPSVBOKA-HNNXBMFYSA-N 0 1 299.418 3.562 20 0 CHADMN CCCN(Cc1cc[nH]c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000426507192 1135766387 /nfs/dbraw/zinc/76/63/87/1135766387.db2.gz CLYUQIIPSVBOKA-HNNXBMFYSA-N 0 1 299.418 3.562 20 0 CHADMN CCC[N@@H+](Cc1cc[nH]c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000426507193 1135766850 /nfs/dbraw/zinc/76/68/50/1135766850.db2.gz CLYUQIIPSVBOKA-OAHLLOKOSA-N 0 1 299.418 3.562 20 0 CHADMN CCCN(Cc1cc[nH]c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000426507193 1135766853 /nfs/dbraw/zinc/76/68/53/1135766853.db2.gz CLYUQIIPSVBOKA-OAHLLOKOSA-N 0 1 299.418 3.562 20 0 CHADMN CCN1CCC[C@H](Oc2cc(C)c(C)cc2Cl)C1 ZINC001227123118 1135789709 /nfs/dbraw/zinc/78/97/09/1135789709.db2.gz QWJMYQMXRCUARA-ZDUSSCGKSA-N 0 1 267.800 3.820 20 0 CHADMN Cc1cccc2nc(O[C@H](C)c3ncccc3F)[nH]c21 ZINC001227267554 1135812305 /nfs/dbraw/zinc/81/23/05/1135812305.db2.gz FCJSDPQDRAAAIW-SNVBAGLBSA-N 0 1 271.295 3.545 20 0 CHADMN C[C@H](Oc1nc2ccc(Cl)cc2[nH]1)C1CCC1 ZINC001227262547 1135812344 /nfs/dbraw/zinc/81/23/44/1135812344.db2.gz RVDJDIOEZAVDIK-QMMMGPOBSA-N 0 1 250.729 3.784 20 0 CHADMN CCCCOC[C@@H](C)Oc1nc2ccc(Cl)cc2[nH]1 ZINC001227262555 1135813277 /nfs/dbraw/zinc/81/32/77/1135813277.db2.gz SEVMNOHVLRRYBB-SNVBAGLBSA-N 0 1 282.771 3.800 20 0 CHADMN Cc1ccc([C@H](C)Oc2nc3cccc(C)c3[nH]2)cn1 ZINC001227267364 1135813299 /nfs/dbraw/zinc/81/32/99/1135813299.db2.gz CCOTWHFVUGXQSF-LBPRGKRZSA-N 0 1 267.332 3.715 20 0 CHADMN Cc1cc(O[C@@H]2CCN(C)C2)c(Cl)c(C)c1Cl ZINC001227279557 1135814719 /nfs/dbraw/zinc/81/47/19/1135814719.db2.gz VDIURVRYUURNQJ-SNVBAGLBSA-N 0 1 274.191 3.693 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1ccc(Cl)nc1 ZINC000069219731 260148942 /nfs/dbraw/zinc/14/89/42/260148942.db2.gz QGVRFKCICWENRF-GFCCVEGCSA-N 0 1 260.768 3.928 20 0 CHADMN CC[C@@H](N)c1cc(-c2ccc(Br)cc2)no1 ZINC000096978074 185145532 /nfs/dbraw/zinc/14/55/32/185145532.db2.gz QKKGBPPOTWCVJD-SNVBAGLBSA-N 0 1 281.153 3.514 20 0 CHADMN CC[C@H](N)c1cc(-c2ccc(Br)cc2)no1 ZINC000096978073 185145642 /nfs/dbraw/zinc/14/56/42/185145642.db2.gz QKKGBPPOTWCVJD-JTQLQIEISA-N 0 1 281.153 3.514 20 0 CHADMN CC[C@@H]1CN(c2ccnc3cc(F)ccc32)CCS1 ZINC000301465205 529402725 /nfs/dbraw/zinc/40/27/25/529402725.db2.gz WVGQKEYCHAFDRR-GFCCVEGCSA-N 0 1 276.380 3.706 20 0 CHADMN CCn1cccc1CN(C)Cc1ccc(Cl)cc1 ZINC000353703270 529546695 /nfs/dbraw/zinc/54/66/95/529546695.db2.gz LEBLTNBSWBSLFY-UHFFFAOYSA-N 0 1 262.784 3.793 20 0 CHADMN CC[C@H](NCc1ccc(COC)cc1)c1ccc(F)cn1 ZINC000352701639 529626598 /nfs/dbraw/zinc/62/65/98/529626598.db2.gz LXENORVGOXESFC-INIZCTEOSA-N 0 1 288.366 3.608 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccc(F)c(F)c2)cn1 ZINC000352247201 529657011 /nfs/dbraw/zinc/65/70/11/529657011.db2.gz WUWYBOZXXWCLSQ-LLVKDONJSA-N 0 1 276.330 3.773 20 0 CHADMN CCc1ccc(CN2CCC[C@H]2c2cccc(OC)c2)cn1 ZINC000347666641 529639891 /nfs/dbraw/zinc/63/98/91/529639891.db2.gz CWWGYSDXNZEFOU-IBGZPJMESA-N 0 1 296.414 3.990 20 0 CHADMN CCc1cnc(CN(CC)CCc2cccs2)s1 ZINC000346163750 529645244 /nfs/dbraw/zinc/64/52/44/529645244.db2.gz CJDRLTHCTMUSFX-UHFFFAOYSA-N 0 1 280.462 3.832 20 0 CHADMN CCc1ccc(CNCc2cccc(Cl)c2)cn1 ZINC000352247284 529653368 /nfs/dbraw/zinc/65/33/68/529653368.db2.gz XOIKMCPRYUVPRM-UHFFFAOYSA-N 0 1 260.768 3.587 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(Cl)cc2)cn1 ZINC000347656738 529635930 /nfs/dbraw/zinc/63/59/30/529635930.db2.gz UAVMZKRWXKWMQJ-UHFFFAOYSA-N 0 1 274.795 3.929 20 0 CHADMN CC[C@H](N[C@H](CO)c1sccc1C)c1ccccc1F ZINC000352849105 529669501 /nfs/dbraw/zinc/66/95/01/529669501.db2.gz MTFSXIFAMKWJAC-LSDHHAIUSA-N 0 1 293.407 3.970 20 0 CHADMN CCc1nc(CN(C)[C@@H]2CCC(C)(C)C2)cs1 ZINC000344594681 529735349 /nfs/dbraw/zinc/73/53/49/529735349.db2.gz BEHZNCZKKNXZSQ-GFCCVEGCSA-N 0 1 252.427 3.716 20 0 CHADMN CCc1ncc(CN(C)Cc2cc(C)ccc2C)s1 ZINC000353587355 529752211 /nfs/dbraw/zinc/75/22/11/529752211.db2.gz HRICUIXOPBROGM-UHFFFAOYSA-N 0 1 274.433 3.954 20 0 CHADMN CN(C)c1cccnc1CN[C@H](c1ccc(F)cc1)C1CC1 ZINC000353626475 529796545 /nfs/dbraw/zinc/79/65/45/529796545.db2.gz IFTKFZOZVHKTEL-SFHVURJKSA-N 0 1 299.393 3.528 20 0 CHADMN CN(Cc1cc(Cl)cn1C)Cc1ccc2ncccc2c1 ZINC000355083769 529978567 /nfs/dbraw/zinc/97/85/67/529978567.db2.gz TXJXGGOYTHXTME-UHFFFAOYSA-N 0 1 299.805 3.859 20 0 CHADMN CN(Cc1nccn1Cc1ccccc1)[C@H]1CCC(C)(C)C1 ZINC000347351786 530027876 /nfs/dbraw/zinc/02/78/76/530027876.db2.gz NYFPUFNKTMMZDN-KRWDZBQOSA-N 0 1 297.446 3.942 20 0 CHADMN COc1ccc(Br)c(C[N@@H+](C)CCC2CC2)c1 ZINC000310532428 260219026 /nfs/dbraw/zinc/21/90/26/260219026.db2.gz ZQVNYDDHHXXQBG-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN COc1ccc(Br)c(CN(C)CCC2CC2)c1 ZINC000310532428 260219028 /nfs/dbraw/zinc/21/90/28/260219028.db2.gz ZQVNYDDHHXXQBG-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN COc1ccc([C@H](C)N[C@H]2CCCc3cccnc32)cc1 ZINC000091661922 180219959 /nfs/dbraw/zinc/21/99/59/180219959.db2.gz HWIWZEQASCSYJM-GUYCJALGSA-N 0 1 282.387 3.818 20 0 CHADMN c1oc2ccccc2c1CNCc1ccc2c(n1)CCC2 ZINC000565643059 370693559 /nfs/dbraw/zinc/69/35/59/370693559.db2.gz QECXYHHZORNYGP-UHFFFAOYSA-N 0 1 278.355 3.606 20 0 CHADMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1cnc(C2CC2)s1 ZINC000574240820 335003482 /nfs/dbraw/zinc/00/34/82/335003482.db2.gz QENBEAVONNUANS-JQWIXIFHSA-N 0 1 250.411 3.783 20 0 CHADMN CCC[C@]1(CO)CC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000574240630 335003541 /nfs/dbraw/zinc/00/35/41/335003541.db2.gz LNJZLSDZBILJIA-KRWDZBQOSA-N 0 1 291.366 3.556 20 0 CHADMN COC[C@@H](N[C@@H](C)c1sccc1C)c1ccc(C)o1 ZINC000156435391 261122742 /nfs/dbraw/zinc/12/27/42/261122742.db2.gz ZCDNKCNUNRYCHW-QWHCGFSZSA-N 0 1 279.405 3.996 20 0 CHADMN COC[C@@H](N[C@@H](C)CSC(C)(C)C)c1ccc(C)o1 ZINC000156442957 261123232 /nfs/dbraw/zinc/12/32/32/261123232.db2.gz BUMBSDHHPIFYEP-WCQYABFASA-N 0 1 285.453 3.785 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000574279573 335006421 /nfs/dbraw/zinc/00/64/21/335006421.db2.gz LSEPSTKLXWTIJO-SJCJKPOMSA-N 0 1 297.402 3.675 20 0 CHADMN Cc1cccc([C@H]2CCC[N@H+]2CC2(CC(=O)[O-])CC2)c1C ZINC000574285652 335007118 /nfs/dbraw/zinc/00/71/18/335007118.db2.gz QCMJCRGIIDFBSE-MRXNPFEDSA-N 0 1 287.403 3.695 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1[C@H](C(=O)[O-])c1ccccc1 ZINC000574406952 335017129 /nfs/dbraw/zinc/01/71/29/335017129.db2.gz ZQZYUGZCZDSPCH-JLSDUUJJSA-N 0 1 295.382 3.690 20 0 CHADMN Cc1oc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000574406881 335017165 /nfs/dbraw/zinc/01/71/65/335017165.db2.gz WLKGALSFVONNIY-SNVBAGLBSA-N 0 1 291.322 3.618 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1[C@@H](C(=O)[O-])c1ccccc1 ZINC000574406954 335017204 /nfs/dbraw/zinc/01/72/04/335017204.db2.gz ZQZYUGZCZDSPCH-ZTFGCOKTSA-N 0 1 295.382 3.690 20 0 CHADMN c1ccc(C[C@H](NCc2cccnn2)c2ccccc2)cc1 ZINC000318621398 262014325 /nfs/dbraw/zinc/01/43/25/262014325.db2.gz YSSPSDXGDKQOBN-IBGZPJMESA-N 0 1 289.382 3.550 20 0 CHADMN CSc1ccccc1S(=O)(=O)Nc1cscc1C ZINC000336454978 533055276 /nfs/dbraw/zinc/05/52/76/533055276.db2.gz QHRFDHDJXZVVLU-UHFFFAOYSA-N 0 1 299.442 3.579 20 0 CHADMN CC1(C)CC[C@@H]1NCc1nnc(-c2ccccc2Cl)o1 ZINC000574819384 335050260 /nfs/dbraw/zinc/05/02/60/335050260.db2.gz CZCLVIKJDLSUBC-LBPRGKRZSA-N 0 1 291.782 3.668 20 0 CHADMN CCCCCN(Cc1ccco1)Cc1cccnc1 ZINC000171146896 335056964 /nfs/dbraw/zinc/05/69/64/335056964.db2.gz BNQWKCCCPSGOGO-UHFFFAOYSA-N 0 1 258.365 3.867 20 0 CHADMN Cc1nc(C)c([C@@H](C)NCc2cc(F)cc(F)c2)s1 ZINC000221878922 262315451 /nfs/dbraw/zinc/31/54/51/262315451.db2.gz VXFORXQQIQIUPK-MRVPVSSYSA-N 0 1 282.359 3.889 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N1CCOCC2(CCC2)C1 ZINC000521317756 260043245 /nfs/dbraw/zinc/04/32/45/260043245.db2.gz VPJHJJZXSFGKIB-ZDUSSCGKSA-N 0 1 279.811 3.904 20 0 CHADMN CCc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000179568668 260056054 /nfs/dbraw/zinc/05/60/54/260056054.db2.gz ISDADDMGLOOOBJ-GOSISDBHSA-N 0 1 266.388 3.981 20 0 CHADMN COc1ccc2c(c1)CN(Cc1ccsc1C)CC2 ZINC000350721755 533260375 /nfs/dbraw/zinc/26/03/75/533260375.db2.gz WHXUBNQWZIFJGD-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN COc1ccc2c(c1)CN(c1ccnc(C)c1Cl)CC2 ZINC000352070165 533262413 /nfs/dbraw/zinc/26/24/13/533262413.db2.gz RPEXHAWZLPRAJD-UHFFFAOYSA-N 0 1 288.778 3.615 20 0 CHADMN COc1c2ccccc2oc1CNCc1cccs1 ZINC000353224485 533450791 /nfs/dbraw/zinc/45/07/91/533450791.db2.gz MAZSNNDUQPFHDC-UHFFFAOYSA-N 0 1 273.357 3.793 20 0 CHADMN C[C@@H](NCc1ccc(-c2ccccc2)o1)c1cnn(C)c1 ZINC000344592439 533441832 /nfs/dbraw/zinc/44/18/32/533441832.db2.gz OKHCZLYNAMQQEW-CYBMUJFWSA-N 0 1 281.359 3.531 20 0 CHADMN CSC1(CN2C[C@@H](C)O[C@@H](c3ccsc3)C2)CCC1 ZINC000356120027 533483316 /nfs/dbraw/zinc/48/33/16/533483316.db2.gz DBRCIEZBUFLMSL-TZMCWYRMSA-N 0 1 297.489 3.796 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccn1)c1ccc(-n2ccnc2)cc1 ZINC000192917695 533505614 /nfs/dbraw/zinc/50/56/14/533505614.db2.gz VTLGLVIAZDXTBI-CABCVRRESA-N 0 1 292.386 3.679 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc2c(s1)CCCC2)[C@@H]1CCCCO1 ZINC000347347117 533508167 /nfs/dbraw/zinc/50/81/67/533508167.db2.gz RXSGVKDISLXSJQ-DYEKYZERSA-N 0 1 294.464 3.630 20 0 CHADMN C[C@@H](N[C@H](c1nccn1C)C1CC1)c1ccc2c(c1)CCC2 ZINC000353868582 533537895 /nfs/dbraw/zinc/53/78/95/533537895.db2.gz PVNQUSFFHBFNKG-ACJLOTCBSA-N 0 1 295.430 3.711 20 0 CHADMN COc1ccc(CN(C)Cc2cc(Cl)cn2C)cc1C ZINC000355077615 533542280 /nfs/dbraw/zinc/54/22/80/533542280.db2.gz GMTKMBYBEGYBND-UHFFFAOYSA-N 0 1 292.810 3.628 20 0 CHADMN COc1ccc(CN2CCC[C@@H]2c2cc(C)no2)cc1C ZINC000352086633 533559007 /nfs/dbraw/zinc/55/90/07/533559007.db2.gz GBZDLYWSRXFMOT-OAHLLOKOSA-N 0 1 286.375 3.637 20 0 CHADMN COc1cccc(OC)c1CN[C@H]1CCCc2ccccc21 ZINC000352251343 533628975 /nfs/dbraw/zinc/62/89/75/533628975.db2.gz QCLYYCILCMGROH-KRWDZBQOSA-N 0 1 297.398 3.871 20 0 CHADMN Cc1ccccc1OCCCSc1nc(C2CC2)n[nH]1 ZINC000341780680 130042865 /nfs/dbraw/zinc/04/28/65/130042865.db2.gz XHKAELJXUKIQLU-UHFFFAOYSA-N 0 1 289.404 3.552 20 0 CHADMN Cc1ccccc1OCCCSc1n[nH]c(C2CC2)n1 ZINC000341780680 130042866 /nfs/dbraw/zinc/04/28/66/130042866.db2.gz XHKAELJXUKIQLU-UHFFFAOYSA-N 0 1 289.404 3.552 20 0 CHADMN FC(F)(F)c1cccc(C2(NCc3ccncc3)CC2)c1 ZINC000341857179 130075037 /nfs/dbraw/zinc/07/50/37/130075037.db2.gz DMKMAUMPZLPKTG-UHFFFAOYSA-N 0 1 292.304 3.879 20 0 CHADMN C[C@@H]1CN(CCCCCF)[C@H](c2ccccc2)CO1 ZINC000341887400 130112766 /nfs/dbraw/zinc/11/27/66/130112766.db2.gz HXRJSHIBWHJLTN-ZBFHGGJFSA-N 0 1 265.372 3.588 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@]2(C1)CCCOC2 ZINC000341986969 130210318 /nfs/dbraw/zinc/21/03/18/130210318.db2.gz GIYUYWCXQNUCAJ-DYVFJYSZSA-N 0 1 292.423 3.536 20 0 CHADMN Fc1c(Cl)cccc1CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000342043013 130216862 /nfs/dbraw/zinc/21/68/62/130216862.db2.gz FXKOEIMETLITSF-KBPBESRZSA-N 0 1 283.774 3.623 20 0 CHADMN CCc1ccc(NC(=O)Nc2c(C)n[nH]c2C(F)F)cc1 ZINC000342086793 130301177 /nfs/dbraw/zinc/30/11/77/130301177.db2.gz MWPJWQWUBZGRIY-UHFFFAOYSA-N 0 1 294.305 3.862 20 0 CHADMN Cc1ccc([C@H]2CCCN2[C@H](C)c2cnccn2)s1 ZINC000342180302 130314246 /nfs/dbraw/zinc/31/42/46/130314246.db2.gz AINNQSMKUHXHHJ-TZMCWYRMSA-N 0 1 273.405 3.745 20 0 CHADMN Fc1cc(-c2ccncc2)ccc1CN[C@@H]1C[C@@H]1C(F)F ZINC000342185291 130320148 /nfs/dbraw/zinc/32/01/48/130320148.db2.gz CLEMKFKMGCNVPI-DZGCQCFKSA-N 0 1 292.304 3.631 20 0 CHADMN FC(F)[C@H]1C[C@@H]1NCc1ncc(-c2ccccc2)s1 ZINC000342205853 130384143 /nfs/dbraw/zinc/38/41/43/130384143.db2.gz POJGLAQDLYVDRB-QWRGUYRKSA-N 0 1 280.343 3.553 20 0 CHADMN C[C@@H](c1cnccn1)N(C)Cc1ccc2ccccc2c1 ZINC000342225334 130397206 /nfs/dbraw/zinc/39/72/06/130397206.db2.gz ADZWAZMTJMEIJR-AWEZNQCLSA-N 0 1 277.371 3.823 20 0 CHADMN C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCCCCC1 ZINC000007378025 170281447 /nfs/dbraw/zinc/28/14/47/170281447.db2.gz XPRHDGXMCLIWKB-GFCCVEGCSA-N 0 1 280.799 3.543 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1CCCCCC1 ZINC000007781981 170301984 /nfs/dbraw/zinc/30/19/84/170301984.db2.gz XYTGGCWXZJMSTR-UHFFFAOYSA-N 0 1 288.435 3.933 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN2[C@@H](C)CCC[C@@H]2C)c1 ZINC000009997839 170394554 /nfs/dbraw/zinc/39/45/54/170394554.db2.gz VTFUEERJSGKGBU-GJZGRUSLSA-N 0 1 274.408 3.505 20 0 CHADMN COc1ccc(OC)c([C@@H](C)N[C@H](C)c2ccncc2)c1 ZINC000020121327 171000150 /nfs/dbraw/zinc/00/01/50/171000150.db2.gz JVVURNXHPWKGRC-CHWSQXEVSA-N 0 1 286.375 3.511 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccccn1)c1ccc(OC)cc1 ZINC000020123572 171004782 /nfs/dbraw/zinc/00/47/82/171004782.db2.gz YZMPROWKKMCWQU-BBRMVZONSA-N 0 1 270.376 3.892 20 0 CHADMN C[C@H](NCc1ccc2c(c1)OCO2)c1ccc(F)cc1F ZINC000020124433 171007010 /nfs/dbraw/zinc/00/70/10/171007010.db2.gz PYKFABKHJVPTJP-JTQLQIEISA-N 0 1 291.297 3.544 20 0 CHADMN C[C@H](NCc1ccc(Cl)s1)c1cccnc1 ZINC000020127942 171013439 /nfs/dbraw/zinc/01/34/39/171013439.db2.gz BEIGWTMHDKOMQU-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)c2ccc(C)o2)c1 ZINC000020187603 171052950 /nfs/dbraw/zinc/05/29/50/171052950.db2.gz UPPUVZPVFLRFHT-STQMWFEESA-N 0 1 286.375 3.958 20 0 CHADMN Cc1ccc(NC(=O)c2ccc(Cl)cc2O)c(F)c1 ZINC000020363076 171162599 /nfs/dbraw/zinc/16/25/99/171162599.db2.gz NMOFFOJUYSQGTE-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN Cc1ccc(NC(=O)c2ccc(Cl)cc2O)cc1 ZINC000020557060 171250169 /nfs/dbraw/zinc/25/01/69/171250169.db2.gz AHJLXXOOXCJZKV-UHFFFAOYSA-N 0 1 261.708 3.606 20 0 CHADMN FC(F)(F)c1ccccc1CSc1nc(C2CC2)n[nH]1 ZINC000022545912 171390656 /nfs/dbraw/zinc/39/06/56/171390656.db2.gz DJBDSSXXBVBQCO-UHFFFAOYSA-N 0 1 299.321 3.993 20 0 CHADMN FC(F)(F)c1ccccc1CSc1n[nH]c(C2CC2)n1 ZINC000022545912 171390657 /nfs/dbraw/zinc/39/06/57/171390657.db2.gz DJBDSSXXBVBQCO-UHFFFAOYSA-N 0 1 299.321 3.993 20 0 CHADMN C[C@H](NCc1cccc2cccnc21)c1ccco1 ZINC000035149923 172012192 /nfs/dbraw/zinc/01/21/92/172012192.db2.gz RPROQYHHAOYNFG-LBPRGKRZSA-N 0 1 252.317 3.679 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cc(F)ccc2F)c1 ZINC000035256183 172086013 /nfs/dbraw/zinc/08/60/13/172086013.db2.gz JUBVKEDHGGFCLR-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN CCOC(=O)C1(NC2CCCCCC2)CCCCC1 ZINC000037972705 173925950 /nfs/dbraw/zinc/92/59/50/173925950.db2.gz ZCBOXMMFWQJNRD-UHFFFAOYSA-N 0 1 267.413 3.565 20 0 CHADMN CCCn1c(CNCc2ccccc2)nc2ccccc21 ZINC000038046563 174055335 /nfs/dbraw/zinc/05/53/35/174055335.db2.gz UQRHWQZDKREQJQ-UHFFFAOYSA-N 0 1 279.387 3.736 20 0 CHADMN COc1ccc(Cl)cc1CN[C@H](C)c1cccc(O)c1 ZINC000038051596 174062866 /nfs/dbraw/zinc/06/28/66/174062866.db2.gz OJPSGZGOWGXJFS-LLVKDONJSA-N 0 1 291.778 3.905 20 0 CHADMN Cc1ccc(F)cc1CN1CCC[C@H](C(F)(F)F)C1 ZINC000179884339 260078998 /nfs/dbraw/zinc/07/89/98/260078998.db2.gz KCHYTVIYVZMKKQ-LBPRGKRZSA-N 0 1 275.289 3.908 20 0 CHADMN C[C@@H]1c2cc(F)cc(F)c2CCN1CCc1cccnc1 ZINC000344240397 225001067 /nfs/dbraw/zinc/00/10/67/225001067.db2.gz MMRCBRVGIWAXJC-GFCCVEGCSA-N 0 1 288.341 3.522 20 0 CHADMN Cc1ccc2nc(NC(=O)c3ccc(C(C)C)cn3)[nH]c2c1 ZINC000344477984 225070563 /nfs/dbraw/zinc/07/05/63/225070563.db2.gz BMVYHKVWFDHVDI-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cccn3C(C)C)[nH]c2c1 ZINC000344475773 225070920 /nfs/dbraw/zinc/07/09/20/225070920.db2.gz MBNOVLWOWGNDGN-UHFFFAOYSA-N 0 1 282.347 3.506 20 0 CHADMN Clc1oc2ccccc2c1CN1CC2(C1)CCOCC2 ZINC000334639107 225186172 /nfs/dbraw/zinc/18/61/72/225186172.db2.gz HCVKGQFIWAESQS-UHFFFAOYSA-N 0 1 291.778 3.699 20 0 CHADMN O=C1CCC(CN2CC3(CCC3)[C@H]2c2ccco2)CC1 ZINC000334695552 225276828 /nfs/dbraw/zinc/27/68/28/225276828.db2.gz BQNRYIIIQOREMM-MRXNPFEDSA-N 0 1 273.376 3.566 20 0 CHADMN c1sc(CN2CCSC3(CCC3)CC2)nc1C1CC1 ZINC000334732863 225293652 /nfs/dbraw/zinc/29/36/52/225293652.db2.gz XPNDHRPQNONNKF-UHFFFAOYSA-N 0 1 294.489 3.882 20 0 CHADMN Cc1ccnc([C@H](C)N[C@@H]2CCCc3c(O)cccc32)c1 ZINC000334760500 225310925 /nfs/dbraw/zinc/31/09/25/225310925.db2.gz LPFMKSSXTRVLTC-XJKSGUPXSA-N 0 1 282.387 3.824 20 0 CHADMN Cc1nnc([C@H](C)NC2CC3(C2)CCCCC3)s1 ZINC000334980711 225382980 /nfs/dbraw/zinc/38/29/80/225382980.db2.gz AUQGCKBKHMMMMF-JTQLQIEISA-N 0 1 265.426 3.610 20 0 CHADMN c1coc(CN2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000334827757 225324851 /nfs/dbraw/zinc/32/48/51/225324851.db2.gz VPDUKSCSEXCLKJ-KRWDZBQOSA-N 0 1 283.371 3.633 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CCCC2(CCCC2)C1 ZINC000334857679 225338955 /nfs/dbraw/zinc/33/89/55/225338955.db2.gz VIIDOZOHBOBHKK-LBPRGKRZSA-N 0 1 275.396 3.664 20 0 CHADMN CO[C@H](CN[C@H](C)c1csc(C(C)C)n1)C(C)C ZINC000346518656 225828826 /nfs/dbraw/zinc/82/88/26/225828826.db2.gz FZFCSZMDSKYOTL-DGCLKSJQSA-N 0 1 270.442 3.588 20 0 CHADMN COc1ccncc1CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000347051517 226005514 /nfs/dbraw/zinc/00/55/14/226005514.db2.gz KPQWFTNYCXACJM-QGZVFWFLSA-N 0 1 288.366 3.716 20 0 CHADMN CSC1(CN(Cc2ccc(F)cc2F)C2CC2)CC1 ZINC000347582771 226187090 /nfs/dbraw/zinc/18/70/90/226187090.db2.gz IMMAKGPGTMFZMH-UHFFFAOYSA-N 0 1 283.387 3.825 20 0 CHADMN C[C@@H]1CCN(Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000347280240 226109355 /nfs/dbraw/zinc/10/93/55/226109355.db2.gz FXXPZLJCRHTRAN-SNVBAGLBSA-N 0 1 294.370 3.930 20 0 CHADMN C[C@H](N[C@@H](C)[C@H]1CCCCO1)c1nc2c(s1)CCCC2 ZINC000347347128 226121328 /nfs/dbraw/zinc/12/13/28/226121328.db2.gz RXSGVKDISLXSJQ-SGMGOOAPSA-N 0 1 294.464 3.630 20 0 CHADMN Cc1cccc(CN(Cc2ccc(F)cc2)C(C)C)n1 ZINC000347366149 226136495 /nfs/dbraw/zinc/13/64/95/226136495.db2.gz RASYHMDEQPYFES-UHFFFAOYSA-N 0 1 272.367 3.940 20 0 CHADMN C[C@H]1c2cc(F)cc(F)c2CCN1CC[C@@H]1CCCCO1 ZINC000347467398 226164163 /nfs/dbraw/zinc/16/41/63/226164163.db2.gz QXUDUNOTAJMCEI-JSGCOSHPSA-N 0 1 295.373 3.843 20 0 CHADMN Cc1ccnc(NC[C@@H]2SCCc3ccccc32)c1 ZINC000347750481 226377104 /nfs/dbraw/zinc/37/71/04/226377104.db2.gz HIMCORQMKQUSFZ-HNNXBMFYSA-N 0 1 270.401 3.833 20 0 CHADMN Cc1ccc(COc2ccccc2-c2nnc[nH]2)cc1C ZINC000191507872 227019382 /nfs/dbraw/zinc/01/93/82/227019382.db2.gz VTQXCBFNPVGAAV-UHFFFAOYSA-N 0 1 279.343 3.668 20 0 CHADMN Cc1ccc(C(=O)CCN2CCC=C(c3ccco3)C2)cc1 ZINC000352549584 227053475 /nfs/dbraw/zinc/05/34/75/227053475.db2.gz DHSRHWRMWCNBCS-UHFFFAOYSA-N 0 1 295.382 3.950 20 0 CHADMN Cc1cnc([C@H](C)N2CCC=C(c3ccccc3)C2)cn1 ZINC000336542962 227108838 /nfs/dbraw/zinc/10/88/38/227108838.db2.gz VOIJUVXNEQAPAL-HNNXBMFYSA-N 0 1 279.387 3.635 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2cc(F)ccc2C)on1 ZINC000352691629 227161184 /nfs/dbraw/zinc/16/11/84/227161184.db2.gz MVIBXRUBLOHXFG-HNNXBMFYSA-N 0 1 274.339 3.768 20 0 CHADMN FC(F)(F)c1cccnc1CN1CCC[C@H]2CCC[C@H]21 ZINC000352719841 227188038 /nfs/dbraw/zinc/18/80/38/227188038.db2.gz NWYCTCYYPPSPEV-BXUZGUMPSA-N 0 1 284.325 3.865 20 0 CHADMN Cc1sccc1CN1CCc2cc(F)ccc2C1 ZINC000352822889 227259289 /nfs/dbraw/zinc/25/92/89/227259289.db2.gz IDJWZBGLAXHSMU-UHFFFAOYSA-N 0 1 261.365 3.754 20 0 CHADMN C[C@@H]1CCC[C@@H](NCc2nc(Cc3ccccc3)no2)[C@@H]1C ZINC000192699136 227271391 /nfs/dbraw/zinc/27/13/91/227271391.db2.gz HWWLNAJHGHECGZ-IIAWOOMASA-N 0 1 299.418 3.575 20 0 CHADMN Cc1cc(=O)[n-]c([C@@H](C)[NH2+][C@@H](C)C(C)(C)c2ccccc2)n1 ZINC000192731031 227282570 /nfs/dbraw/zinc/28/25/70/227282570.db2.gz NGDKPMVZNOQWLV-KGLIPLIRSA-N 0 1 299.418 3.508 20 0 CHADMN Oc1cc(CNCc2cccs2)cc(C(F)(F)F)c1 ZINC000352842133 227317228 /nfs/dbraw/zinc/31/72/28/227317228.db2.gz AXGRPGSCZKSJSS-UHFFFAOYSA-N 0 1 287.306 3.762 20 0 CHADMN Fc1ccccc1CO[C@H]1CCCN(Cc2ccco2)C1 ZINC000355216094 227514737 /nfs/dbraw/zinc/51/47/37/227514737.db2.gz IYRDRSKKCDBKQQ-INIZCTEOSA-N 0 1 289.350 3.600 20 0 CHADMN Cc1ccoc1CN1CCC(Oc2ccc(C)cc2)CC1 ZINC000351053059 227654704 /nfs/dbraw/zinc/65/47/04/227654704.db2.gz OXAUNUHNWZOPCH-UHFFFAOYSA-N 0 1 285.387 3.940 20 0 CHADMN O=C(C[C@H]1C[C@@H]1c1ccccc1)Nc1ccc2nc[nH]c2c1 ZINC000351640908 227887230 /nfs/dbraw/zinc/88/72/30/227887230.db2.gz JZPAWUHYKKDANR-UKRRQHHQSA-N 0 1 291.354 3.695 20 0 CHADMN Cc1cccc(CN2CCC(OC3CCC3)CC2)c1F ZINC000418087054 228021780 /nfs/dbraw/zinc/02/17/80/228021780.db2.gz ASUJYRKFBYUNMJ-UHFFFAOYSA-N 0 1 277.383 3.668 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](C)N[C@@H](C)c1ccc(=O)[nH]n1 ZINC000353403880 228096544 /nfs/dbraw/zinc/09/65/44/228096544.db2.gz MYEJNVQXGOSOPQ-NWDGAFQWSA-N 0 1 297.358 3.649 20 0 CHADMN Cc1nc2ccccn2c1CN(C)[C@H](C)c1cccc(O)c1 ZINC000353527710 228115246 /nfs/dbraw/zinc/11/52/46/228115246.db2.gz LTZSSVHRIPMXGQ-CQSZACIVSA-N 0 1 295.386 3.541 20 0 CHADMN C[C@H](N[C@@H](C)c1cncc(F)c1)c1ccc2n[nH]cc2c1 ZINC000353096336 228058826 /nfs/dbraw/zinc/05/88/26/228058826.db2.gz DPRYHWVQDLWMCZ-QWRGUYRKSA-N 0 1 284.338 3.509 20 0 CHADMN Cc1cccnc1C(C)(C)CNCc1ncc(Cl)s1 ZINC000353099946 228059327 /nfs/dbraw/zinc/05/93/27/228059327.db2.gz YLFGLUHZSALCGH-UHFFFAOYSA-N 0 1 295.839 3.567 20 0 CHADMN Cc1cc([C@@H](C)NC[C@@H]2SCCc3ccccc32)no1 ZINC000353259829 228075363 /nfs/dbraw/zinc/07/53/63/228075363.db2.gz FBEFQAYLUOXHRD-WBMJQRKESA-N 0 1 288.416 3.664 20 0 CHADMN COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1ccoc1 ZINC000353307996 228083672 /nfs/dbraw/zinc/08/36/72/228083672.db2.gz ABGUCFHTSUJHBB-INIZCTEOSA-N 0 1 271.360 3.800 20 0 CHADMN COCCCN[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000353343420 228088446 /nfs/dbraw/zinc/08/84/46/228088446.db2.gz DKPNFTGYXUBYHI-GOSISDBHSA-N 0 1 296.370 3.543 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356108421 228123862 /nfs/dbraw/zinc/12/38/62/228123862.db2.gz ITXCVUFOBFCULE-NXEZZACHSA-N 0 1 273.298 3.784 20 0 CHADMN Cc1nc2ccccn2c1CN1CCCC[C@@H]1c1ccco1 ZINC000353573296 228124758 /nfs/dbraw/zinc/12/47/58/228124758.db2.gz KOFASCGAZAEKDD-OAHLLOKOSA-N 0 1 295.386 3.963 20 0 CHADMN C[C@H]1CCCN1Cc1ccc(F)cc1C(F)(F)F ZINC000353609376 228130440 /nfs/dbraw/zinc/13/04/40/228130440.db2.gz NHVVYBVMEJHKBR-VIFPVBQESA-N 0 1 261.262 3.829 20 0 CHADMN COc1ccncc1CNCc1cc2ccccc2s1 ZINC000353610640 228130622 /nfs/dbraw/zinc/13/06/22/228130622.db2.gz VUEOKBHVDXWTLM-UHFFFAOYSA-N 0 1 284.384 3.595 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc3cc[nH]c3n2)c(C)o1 ZINC000353631106 228135768 /nfs/dbraw/zinc/13/57/68/228135768.db2.gz OTBHHZPOOIMDQS-NSHDSACASA-N 0 1 269.348 3.624 20 0 CHADMN Cc1ccc([C@@H]2[C@H](C)CCCN2Cc2nccn2C)cc1 ZINC000353823903 228156815 /nfs/dbraw/zinc/15/68/15/228156815.db2.gz MPSMBXMIAUNZBG-QAPCUYQASA-N 0 1 283.419 3.702 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](c2nccn2C)C2CC2)cc1C ZINC000353863426 228160694 /nfs/dbraw/zinc/16/06/94/228160694.db2.gz GFEQAIOBANOJEC-WMLDXEAASA-N 0 1 283.419 3.839 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@H](c1nccn1C)C1CC1 ZINC000353864997 228160727 /nfs/dbraw/zinc/16/07/27/228160727.db2.gz HWMNIMPQTSUNOI-AAEUAGOBSA-N 0 1 275.421 3.592 20 0 CHADMN Cc1ncc(CN2CC[C@@H](C)[C@H]2c2cccc(F)c2)cn1 ZINC000352002105 228173278 /nfs/dbraw/zinc/17/32/78/228173278.db2.gz FAPYIVMDCJMZAN-PXAZEXFGSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2ccc(F)c(C)c2)on1 ZINC000352096174 228181799 /nfs/dbraw/zinc/18/17/99/228181799.db2.gz CWQOXZLATHVADO-OAHLLOKOSA-N 0 1 274.339 3.768 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)c1ccc(Cl)o1 ZINC000336143692 228196924 /nfs/dbraw/zinc/19/69/24/228196924.db2.gz AETYJCYDSLCISJ-UHFFFAOYSA-N 0 1 290.077 3.683 20 0 CHADMN COC[C@@H](C)N(C)Cc1c(Cl)oc2ccccc21 ZINC000352309836 228218369 /nfs/dbraw/zinc/21/83/69/228218369.db2.gz COABAWPTPOAFBW-SNVBAGLBSA-N 0 1 267.756 3.553 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cnn(C(C)C)c2)cc1 ZINC000180049209 260090670 /nfs/dbraw/zinc/09/06/70/260090670.db2.gz IUOKXGKKBOTSOD-OAHLLOKOSA-N 0 1 271.408 3.965 20 0 CHADMN Cn1cccc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000180155800 260095127 /nfs/dbraw/zinc/09/51/27/260095127.db2.gz ZFPLDUJYCSJYOX-MRXNPFEDSA-N 0 1 258.340 3.501 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccccc2OC)cc1F ZINC000037493515 260112172 /nfs/dbraw/zinc/11/21/72/260112172.db2.gz UJHMFMCDZWCFPU-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cccnc2OC)cc1 ZINC000037650514 260115332 /nfs/dbraw/zinc/11/53/32/260115332.db2.gz FOPPSJAUMDCMKY-CYBMUJFWSA-N 0 1 270.376 3.503 20 0 CHADMN C[C@@H]1CCCCCN1Cc1ccc(Br)o1 ZINC000307075369 260134803 /nfs/dbraw/zinc/13/48/03/260134803.db2.gz NRVLLSZIHIVUBX-SNVBAGLBSA-N 0 1 272.186 3.807 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1nccn1C ZINC000070444464 260157626 /nfs/dbraw/zinc/15/76/26/260157626.db2.gz WKFUNPATUUCOFH-UONOGXRCSA-N 0 1 283.419 3.711 20 0 CHADMN CCC[C@H](N[C@H](C)c1nccn1C)c1ccccc1 ZINC000070444426 260157812 /nfs/dbraw/zinc/15/78/12/260157812.db2.gz BTYGWDHJSFGCOM-HIFRSBDPSA-N 0 1 257.381 3.612 20 0 CHADMN CC(C)(C)[C@@H](NCc1ccc(CO)o1)c1ccccc1 ZINC000077897840 260167373 /nfs/dbraw/zinc/16/73/73/260167373.db2.gz VNAAGDUXPNXENN-INIZCTEOSA-N 0 1 273.376 3.649 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2cc(F)ccc2F)cc1 ZINC000078514519 260167725 /nfs/dbraw/zinc/16/77/25/260167725.db2.gz ZLBPHLHWWDCOIZ-LBPRGKRZSA-N 0 1 291.341 3.962 20 0 CHADMN COC[C@H](NCc1cc(Cl)sc1Cl)C1CC1 ZINC000309481257 260170457 /nfs/dbraw/zinc/17/04/57/260170457.db2.gz TXJSFERBZSPESK-VIFPVBQESA-N 0 1 280.220 3.570 20 0 CHADMN Cc1nc(C)c(CN[C@H](C)c2ccc(F)cc2F)s1 ZINC000080692747 260181772 /nfs/dbraw/zinc/18/17/72/260181772.db2.gz ACZNLCHHJJTQEC-MRVPVSSYSA-N 0 1 282.359 3.889 20 0 CHADMN C[C@H](NCc1cccnc1)c1cnc2ccsc2c1 ZINC000085433233 260204159 /nfs/dbraw/zinc/20/41/59/260204159.db2.gz AEZSQUSNDFDXOI-NSHDSACASA-N 0 1 269.373 3.542 20 0 CHADMN COC[C@H](N[C@H](c1ccco1)c1ccccc1)C(C)C ZINC000086697374 260209324 /nfs/dbraw/zinc/20/93/24/260209324.db2.gz KIEIIAIHFIVGQF-RDJZCZTQSA-N 0 1 273.376 3.630 20 0 CHADMN C[C@@H](c1c(F)cccc1F)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086810062 260210119 /nfs/dbraw/zinc/21/01/19/260210119.db2.gz DHYPJOMUOLSDJD-NWDGAFQWSA-N 0 1 297.345 3.603 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000086807934 260210357 /nfs/dbraw/zinc/21/03/57/260210357.db2.gz MWLXTSANWTWRIB-STQMWFEESA-N 0 1 271.360 3.553 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@@H](C)c2nccs2)C12CCCCC2 ZINC000087301565 260213335 /nfs/dbraw/zinc/21/33/35/260213335.db2.gz HTAMXLBOXYJZQP-BFHYXJOUSA-N 0 1 294.464 3.922 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000087406903 260213867 /nfs/dbraw/zinc/21/38/67/260213867.db2.gz ORFQPXFFJRYXCL-GHMZBOCLSA-N 0 1 277.799 3.794 20 0 CHADMN CC(C)(C)c1ncc(CNCc2ccc(Cl)cc2)cn1 ZINC000312905900 260220293 /nfs/dbraw/zinc/22/02/93/260220293.db2.gz TVDOBEUFLCLMHW-UHFFFAOYSA-N 0 1 289.810 3.717 20 0 CHADMN C[C@@H](N[C@H]1COCC1(C)C)c1ccccc1Br ZINC000312997706 260230414 /nfs/dbraw/zinc/23/04/14/260230414.db2.gz LWWWKJWDSUNTDF-MFKMUULPSA-N 0 1 298.224 3.525 20 0 CHADMN CC[C@@H](NCc1cc(OC)cc(C)n1)c1cccs1 ZINC000214116514 260231916 /nfs/dbraw/zinc/23/19/16/260231916.db2.gz LCGMJQFZSVICCY-CQSZACIVSA-N 0 1 276.405 3.701 20 0 CHADMN CC1(C)COC[C@@H]1NCc1c(Cl)oc2ccccc21 ZINC000313028009 260237752 /nfs/dbraw/zinc/23/77/52/260237752.db2.gz VBTMQVPQJJASLF-ZDUSSCGKSA-N 0 1 279.767 3.601 20 0 CHADMN CC(C)n1cncc1CN[C@@H](C)c1ccc(Cl)cc1 ZINC000090207612 260239273 /nfs/dbraw/zinc/23/92/73/260239273.db2.gz FSUCLMHVTJKGGP-LBPRGKRZSA-N 0 1 277.799 3.968 20 0 CHADMN CC1(C)COC[C@@H]1NCc1cc(Cl)ccc1Cl ZINC000313064695 260242728 /nfs/dbraw/zinc/24/27/28/260242728.db2.gz RICVBEHSVIOZHT-LBPRGKRZSA-N 0 1 274.191 3.508 20 0 CHADMN C[C@H](N[C@H]1COCC1(C)C)c1ccccc1Br ZINC000313111277 260249811 /nfs/dbraw/zinc/24/98/11/260249811.db2.gz LWWWKJWDSUNTDF-GWCFXTLKSA-N 0 1 298.224 3.525 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccc(F)cn2)cc1F ZINC000092196014 260267758 /nfs/dbraw/zinc/26/77/58/260267758.db2.gz YAKWKELGPORBGA-GHMZBOCLSA-N 0 1 292.329 3.780 20 0 CHADMN CSc1ccc(-c2nc(C3(N)CCCCC3)no2)cc1 ZINC000092234086 260268610 /nfs/dbraw/zinc/26/86/10/260268610.db2.gz YEHAKNNODNTTMF-UHFFFAOYSA-N 0 1 289.404 3.577 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@@H](C)c1ccccn1)CCC2 ZINC000092383392 260269518 /nfs/dbraw/zinc/26/95/18/260269518.db2.gz ZRPHIDHDMRDVBY-SCLBCKFNSA-N 0 1 282.387 3.818 20 0 CHADMN c1cn(Cc2ccccc2)c(CN2CCC[C@H]3CCC[C@@H]32)n1 ZINC000075768524 260292096 /nfs/dbraw/zinc/29/20/96/260292096.db2.gz FBILCEDPNFLQGD-MSOLQXFVSA-N 0 1 295.430 3.696 20 0 CHADMN C[C@H]1C[C@H](Nc2ccnc3cc(C(F)(F)F)ccc32)CO1 ZINC000518176058 260349406 /nfs/dbraw/zinc/34/94/06/260349406.db2.gz QMMSLFGWZRMUTJ-ONGXEEELSA-N 0 1 296.292 3.843 20 0 CHADMN Cc1ccc2c(C)cc(N3CCC[C@@H](CC(=O)[O-])C3)[nH+]c2c1 ZINC000518494857 260439709 /nfs/dbraw/zinc/43/97/09/260439709.db2.gz VCMZPWGHMWDFFR-AWEZNQCLSA-N 0 1 298.386 3.543 20 0 CHADMN Cc1ccc(CN(C)Cc2c[nH]nc2C(C)(C)C)s1 ZINC000093049390 260507530 /nfs/dbraw/zinc/50/75/30/260507530.db2.gz GRLJDPVPBBQFHY-UHFFFAOYSA-N 0 1 277.437 3.709 20 0 CHADMN c1csc(-c2nc(CN3CC[C@H]4CCC[C@H]43)co2)c1 ZINC000426461426 260784086 /nfs/dbraw/zinc/78/40/86/260784086.db2.gz PDQDINZNMPZSQT-DGCLKSJQSA-N 0 1 274.389 3.778 20 0 CHADMN c1cc(-c2nc(CN3CCC4(CC4)CC3)cs2)co1 ZINC000371343670 260947519 /nfs/dbraw/zinc/94/75/19/260947519.db2.gz HMXLOVLBZAZRKT-UHFFFAOYSA-N 0 1 274.389 3.779 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccco2)cc1F ZINC000152798499 261069791 /nfs/dbraw/zinc/06/97/91/261069791.db2.gz NOLIFHLKJZKBDL-NSHDSACASA-N 0 1 263.312 3.668 20 0 CHADMN Cc1cc2cc([C@@H](C)NCc3ccnn3C)oc2cc1C ZINC000152181053 261061164 /nfs/dbraw/zinc/06/11/64/261061164.db2.gz IWIYBCKHAVLLNH-CYBMUJFWSA-N 0 1 283.375 3.634 20 0 CHADMN C[C@@H](N[C@@H]1CCOc2c(Cl)cccc21)c1ccncc1 ZINC000152500646 261064957 /nfs/dbraw/zinc/06/49/57/261064957.db2.gz DSKCIBHZYFQHLA-IAQYHMDHSA-N 0 1 288.778 3.909 20 0 CHADMN Cc1ncsc1CN1CCC[C@@H]1c1ccsc1 ZINC000153563040 261080467 /nfs/dbraw/zinc/08/04/67/261080467.db2.gz CGUBIXATHQMNMF-GFCCVEGCSA-N 0 1 264.419 3.850 20 0 CHADMN CCN(CCc1ccccc1)[C@@H](C)c1nc(C(C)C)no1 ZINC000154084849 261087338 /nfs/dbraw/zinc/08/73/38/261087338.db2.gz RYKSPCMDWWRCJR-AWEZNQCLSA-N 0 1 287.407 3.819 20 0 CHADMN CC[C@@H](C)CN(C)Cc1nnc(-c2ccccc2)s1 ZINC000155219277 261099365 /nfs/dbraw/zinc/09/93/65/261099365.db2.gz QGJSUUKCGOJEGY-GFCCVEGCSA-N 0 1 275.421 3.683 20 0 CHADMN CC(C)(C)[C@H]1CN(Cc2coc3ccccc23)CCO1 ZINC000448354383 261125486 /nfs/dbraw/zinc/12/54/86/261125486.db2.gz KEGHRVHFKNMKLK-MRXNPFEDSA-N 0 1 273.376 3.680 20 0 CHADMN c1cc(CN[C@@H]2CCCc3occc32)n(C2CCCC2)n1 ZINC000449074676 261149858 /nfs/dbraw/zinc/14/98/58/261149858.db2.gz LNJDOFLWFZGJDG-MRXNPFEDSA-N 0 1 285.391 3.758 20 0 CHADMN CCCCc1noc([C@@H](C)N[C@@H](C)C2CCCC2)n1 ZINC000172170783 261152681 /nfs/dbraw/zinc/15/26/81/261152681.db2.gz LWMCBHGNKHQBSE-NWDGAFQWSA-N 0 1 265.401 3.642 20 0 CHADMN Cc1ncsc1CN(C)[C@@H](C)c1cccs1 ZINC000157857882 261154194 /nfs/dbraw/zinc/15/41/94/261154194.db2.gz PEBADSRCPFEADJ-JTQLQIEISA-N 0 1 252.408 3.706 20 0 CHADMN Cc1cccc(NC[C@@H](c2ccccc2)C(C)(C)CO)n1 ZINC000158137373 261159201 /nfs/dbraw/zinc/15/92/01/261159201.db2.gz JKCVTLTVFVJYMK-INIZCTEOSA-N 0 1 284.403 3.604 20 0 CHADMN CCCCN(C)Cc1ncc(-c2ccccc2F)o1 ZINC000158230286 261161854 /nfs/dbraw/zinc/16/18/54/261161854.db2.gz FQTPSCMRMQHLIC-UHFFFAOYSA-N 0 1 262.328 3.713 20 0 CHADMN CC(C)CC(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000158287254 261162615 /nfs/dbraw/zinc/16/26/15/261162615.db2.gz CVMMCVYIYPVRMU-UHFFFAOYSA-N 0 1 274.408 3.643 20 0 CHADMN Cc1ccc(C(=O)Nc2cccc3c2CN(CC(C)C)C3)o1 ZINC000158317991 261163599 /nfs/dbraw/zinc/16/35/99/261163599.db2.gz YEAXLZWVXBLOIL-UHFFFAOYSA-N 0 1 298.386 3.812 20 0 CHADMN C[C@H]1CN(Cc2csc(Cl)c2Cl)C[C@H](C)N1C ZINC000354448238 261213436 /nfs/dbraw/zinc/21/34/36/261213436.db2.gz PHBKWZXKACYAJQ-IUCAKERBSA-N 0 1 293.263 3.579 20 0 CHADMN Cc1ccccc1Cc1noc(CN(C)C2CCCCC2)n1 ZINC000175520581 261232411 /nfs/dbraw/zinc/23/24/11/261232411.db2.gz INJBAAQZRAGCTL-UHFFFAOYSA-N 0 1 299.418 3.733 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(C)oc3C)c2C)o1 ZINC000161561209 261251400 /nfs/dbraw/zinc/25/14/00/261251400.db2.gz KAGQCCRJVGOHDO-UHFFFAOYSA-N 0 1 299.330 3.749 20 0 CHADMN Cc1cc(S(=O)(=O)Nc2cscc2C)c(C)s1 ZINC000161647322 261255193 /nfs/dbraw/zinc/25/51/93/261255193.db2.gz QHZAZTHTHZIOED-UHFFFAOYSA-N 0 1 287.431 3.536 20 0 CHADMN CC(C)c1noc(CN(C)C2CCC(C)(C)CC2)n1 ZINC000176292044 261276290 /nfs/dbraw/zinc/27/62/90/261276290.db2.gz NMYRFKDUYLTPGC-UHFFFAOYSA-N 0 1 265.401 3.594 20 0 CHADMN Cc1cc(NC(=O)c2cn[nH]c2-c2ccccc2)ccc1F ZINC000103202590 261277253 /nfs/dbraw/zinc/27/72/53/261277253.db2.gz KNTITJRPENOPLR-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN CC[C@H](C)N(C)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000104686358 261298202 /nfs/dbraw/zinc/29/82/02/261298202.db2.gz VHOHRYRKYADNPU-LBPRGKRZSA-N 0 1 274.364 3.581 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN(C)[C@@H](C)C1(C)CC1 ZINC000177213677 261340228 /nfs/dbraw/zinc/34/02/28/261340228.db2.gz FDWRQPFVHOXQLE-LBPRGKRZSA-N 0 1 294.826 3.707 20 0 CHADMN Cc1ccc(NC(=O)CN(C)[C@@H](C)C2(C)CC2)c(Cl)c1 ZINC000177240483 261341974 /nfs/dbraw/zinc/34/19/74/261341974.db2.gz BTGYFHZQFDMMBY-LBPRGKRZSA-N 0 1 294.826 3.707 20 0 CHADMN CC(C)n1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)n1 ZINC000177553006 261361574 /nfs/dbraw/zinc/36/15/74/261361574.db2.gz IPYBVFFALACRDP-QAPCUYQASA-N 0 1 283.419 3.842 20 0 CHADMN CC[C@@H](NCc1cn2ccsc2n1)c1cccs1 ZINC000177759623 261368437 /nfs/dbraw/zinc/36/84/37/261368437.db2.gz ITDFLMWJKFGCCJ-LLVKDONJSA-N 0 1 277.418 3.698 20 0 CHADMN COCc1cc(CN[C@@H](C)c2ccc(C)o2)ccc1F ZINC000178485026 261745189 /nfs/dbraw/zinc/74/51/89/261745189.db2.gz SLODDEUUWYYNHF-LBPRGKRZSA-N 0 1 277.339 3.724 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000178718520 261756959 /nfs/dbraw/zinc/75/69/59/261756959.db2.gz PBKGLDAWFQSYNZ-RKDXNWHRSA-N 0 1 297.324 3.558 20 0 CHADMN COc1ccc(CN[C@H](C)c2cncc(C)c2)cc1Cl ZINC000184415893 262019137 /nfs/dbraw/zinc/01/91/37/262019137.db2.gz DIYJFBFBZTWAOW-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CC(C)(C)c1ccc(CN[C@H](CCO)c2ccco2)s1 ZINC000184503462 262021121 /nfs/dbraw/zinc/02/11/21/262021121.db2.gz MZHGTCJEBVZSRV-CYBMUJFWSA-N 0 1 293.432 3.852 20 0 CHADMN COCC(C)(C)NCc1csc(Cl)c1Cl ZINC000336747526 262025171 /nfs/dbraw/zinc/02/51/71/262025171.db2.gz BYJJEMHPMGADHY-UHFFFAOYSA-N 0 1 268.209 3.570 20 0 CHADMN C[C@H]1CCCc2ccccc2[C@@H]1NCc1cscn1 ZINC000185086594 262040308 /nfs/dbraw/zinc/04/03/08/262040308.db2.gz JCKHVQQWTHBNLO-BLLLJJGKSA-N 0 1 272.417 3.946 20 0 CHADMN CCSc1cccc(CN[C@H]2c3ccccc3C[C@@H]2O)c1 ZINC000185570650 262060094 /nfs/dbraw/zinc/06/00/94/262060094.db2.gz SHMGJSMEHZDNGC-ROUUACIJSA-N 0 1 299.439 3.547 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1cc(-c2ccco2)on1 ZINC000108864628 262064634 /nfs/dbraw/zinc/06/46/34/262064634.db2.gz DYOZVCAZKKFEEC-VXGBXAGGSA-N 0 1 260.337 3.698 20 0 CHADMN CC(C)CCOC1CCN(Cc2cc(O)cc(F)c2)CC1 ZINC000186191728 262083978 /nfs/dbraw/zinc/08/39/78/262083978.db2.gz VBKGRBGYPVLRQL-UHFFFAOYSA-N 0 1 295.398 3.558 20 0 CHADMN CC[C@@H]1C[C@]1(NCc1cncc(F)c1)c1cccc(C)c1 ZINC000500531052 262156769 /nfs/dbraw/zinc/15/67/69/262156769.db2.gz JIHOTUIGUNQOSL-CRAIPNDOSA-N 0 1 284.378 3.944 20 0 CHADMN C[C@@H]1CCC[C@@H](N[C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000497409450 262157064 /nfs/dbraw/zinc/15/70/64/262157064.db2.gz XPGPAYSTXRLIBB-QBIMZIAESA-N 0 1 299.393 3.873 20 0 CHADMN C[C@@H]1CCC[C@H](N[C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000497409451 262157382 /nfs/dbraw/zinc/15/73/82/262157382.db2.gz XPGPAYSTXRLIBB-RPVQJOFSSA-N 0 1 299.393 3.873 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N2CCCC(C)(C)C2)c(C)c1 ZINC000497420742 262158787 /nfs/dbraw/zinc/15/87/87/262158787.db2.gz YHKYNPBKAFZVMQ-OAHLLOKOSA-N 0 1 288.435 3.752 20 0 CHADMN C[C@@H]1C[N@@H+](CC2CCCC2)[C@H](c2ccccc2)CO1 ZINC000525781618 262227591 /nfs/dbraw/zinc/22/75/91/262227591.db2.gz LANIPIPQRSQONJ-PBHICJAKSA-N 0 1 259.393 3.639 20 0 CHADMN COc1cccc(CN[C@H](C)c2cccs2)c1OC ZINC000020148491 262232719 /nfs/dbraw/zinc/23/27/19/262232719.db2.gz XRGVRZGUKMAHHU-LLVKDONJSA-N 0 1 277.389 3.616 20 0 CHADMN CCCCc1nc(CN2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000497967689 262241970 /nfs/dbraw/zinc/24/19/70/262241970.db2.gz OVYHKORVADAQCC-CHWSQXEVSA-N 0 1 266.454 3.964 20 0 CHADMN COc1cccc(C)c1NC(=O)c1ccc(Cl)cc1O ZINC000194995373 262244573 /nfs/dbraw/zinc/24/45/73/262244573.db2.gz JGWHHGCOWCKZQC-UHFFFAOYSA-N 0 1 291.734 3.615 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(F)cc(F)c2)cc1F ZINC000221877361 262315352 /nfs/dbraw/zinc/31/53/52/262315352.db2.gz CXZMFPVKVNLURP-SNVBAGLBSA-N 0 1 295.304 3.963 20 0 CHADMN CCc1nc([C@H](C)N[C@H]2CS[C@@H](C(C)C)C2)cs1 ZINC000488449586 262324669 /nfs/dbraw/zinc/32/46/69/262324669.db2.gz OMARLFLOTSCISC-DMDPSCGWSA-N 0 1 284.494 3.886 20 0 CHADMN FC(F)COCCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000188625008 262329214 /nfs/dbraw/zinc/32/92/14/262329214.db2.gz ZWIJCNHHAWXAGV-CYBMUJFWSA-N 0 1 289.753 3.759 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)CCOCC(F)F ZINC000188804912 262330172 /nfs/dbraw/zinc/33/01/72/262330172.db2.gz GYPLIGZEHLEOLN-JTQLQIEISA-N 0 1 277.742 3.615 20 0 CHADMN Cc1ccc2nc(CNC(=O)C[C@@H]3CCCC[C@@H]3C)[nH]c2c1 ZINC000525799429 262356524 /nfs/dbraw/zinc/35/65/24/262356524.db2.gz LZPVCKHKZQFFFO-KBPBESRZSA-N 0 1 299.418 3.704 20 0 CHADMN CC(C)[C@H]1CCN([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000446729857 262380131 /nfs/dbraw/zinc/38/01/31/262380131.db2.gz XKGHNKJCRCLBJR-NEPJUHHUSA-N 0 1 291.420 3.837 20 0 CHADMN Oc1ccccc1-c1n[nH]c(SCCC2CCCC2)n1 ZINC000187109962 262380739 /nfs/dbraw/zinc/38/07/39/262380739.db2.gz CUYWXAHMICWCBV-UHFFFAOYSA-N 0 1 289.404 3.850 20 0 CHADMN CCOC(=O)c1ccc(CN[C@H](CC)c2ccccc2)o1 ZINC000411892530 262708816 /nfs/dbraw/zinc/70/88/16/262708816.db2.gz NJFLJKPKPRMGML-OAHLLOKOSA-N 0 1 287.359 3.697 20 0 CHADMN C[C@H](N[C@@H]1CCCc2ccccc21)c1cc2n(n1)CCC2 ZINC000414061363 262799319 /nfs/dbraw/zinc/79/93/19/262799319.db2.gz ZDEIPBKENDQGOZ-SUMWQHHRSA-N 0 1 281.403 3.558 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccc(F)c(F)c1 ZINC000414281054 262835057 /nfs/dbraw/zinc/83/50/57/262835057.db2.gz FEJNOFBLLLMRRL-GAJTVXKRSA-N 0 1 257.299 3.896 20 0 CHADMN CCOc1ccccc1[C@H](CC)NCc1cnc(CC)nc1 ZINC000414341351 262846963 /nfs/dbraw/zinc/84/69/63/262846963.db2.gz LFBHZJIMZUDNSG-INIZCTEOSA-N 0 1 299.418 3.679 20 0 CHADMN Cc1occc1CN[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000414303942 262847865 /nfs/dbraw/zinc/84/78/65/262847865.db2.gz OFWYGRHBLNAUMN-DLBZAZTESA-N 0 1 289.350 3.737 20 0 CHADMN CO[C@H](C)c1nc(CN[C@@H](C)CCc2ccco2)cs1 ZINC000269096930 262965588 /nfs/dbraw/zinc/96/55/88/262965588.db2.gz SALUQPKKKRTVSC-NWDGAFQWSA-N 0 1 294.420 3.554 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccc(F)cc1)c1ccccc1F ZINC000272532968 263005906 /nfs/dbraw/zinc/00/59/06/263005906.db2.gz ZUOYLMUDEUWMEE-IAGOWNOFSA-N 0 1 291.341 3.739 20 0 CHADMN CCSc1cccc(-c2nc(C3(N)CCCC3)no2)c1 ZINC000414611011 263009495 /nfs/dbraw/zinc/00/94/95/263009495.db2.gz BZKQXBONZMSWFF-UHFFFAOYSA-N 0 1 289.404 3.577 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H]2C[C@H](C)C[C@H](C)C2)n1 ZINC000414613266 263009564 /nfs/dbraw/zinc/00/95/64/263009564.db2.gz FWTFBUQQCBNDQI-LOWDOPEQSA-N 0 1 265.401 3.655 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H](C)c2c(F)cccc2F)n1 ZINC000414611326 263009600 /nfs/dbraw/zinc/00/96/00/263009600.db2.gz CDJJNZQNSUOKEP-SKDRFNHKSA-N 0 1 295.333 3.546 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H]2CCCCC2(C)C)n1 ZINC000414613742 263009687 /nfs/dbraw/zinc/00/96/87/263009687.db2.gz GDVQFBYSDUIEAJ-NEPJUHHUSA-N 0 1 265.401 3.799 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H](c2ccccc2)C2CC2)n1 ZINC000414616465 263010438 /nfs/dbraw/zinc/01/04/38/263010438.db2.gz KDSDIROHVFIENA-HUUCEWRRSA-N 0 1 285.391 3.657 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H](c2ccccc2)C2CC2)n1 ZINC000414616468 263010443 /nfs/dbraw/zinc/01/04/43/263010443.db2.gz KDSDIROHVFIENA-LSDHHAIUSA-N 0 1 285.391 3.657 20 0 CHADMN Cc1nc(C(C)C)ccc1-c1nc([C@H](N)CC(C)C)no1 ZINC000414618589 263012377 /nfs/dbraw/zinc/01/23/77/263012377.db2.gz JZLXBXFFBZQDTB-CYBMUJFWSA-N 0 1 288.395 3.609 20 0 CHADMN Cc1cccc2cc(-c3nc(C4(N)CCCC4)no3)sc21 ZINC000414621163 263013631 /nfs/dbraw/zinc/01/36/31/263013631.db2.gz RBTJOWLSPQLDSH-UHFFFAOYSA-N 0 1 299.399 3.988 20 0 CHADMN Cc1c2cc(C)ccc2sc1-c1nc(C2(N)CCC2)no1 ZINC000414621589 263013923 /nfs/dbraw/zinc/01/39/23/263013923.db2.gz ALWXSVUCERBHCV-UHFFFAOYSA-N 0 1 299.399 3.906 20 0 CHADMN CC(C)C[C@@H](N)c1noc(CC[C@@H](C)c2ccccc2)n1 ZINC000414624943 263015188 /nfs/dbraw/zinc/01/51/88/263015188.db2.gz WKHHRPMTMKADMW-UKRRQHHQSA-N 0 1 287.407 3.852 20 0 CHADMN Cc1c(Cl)cccc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000414625487 263015928 /nfs/dbraw/zinc/01/59/28/263015928.db2.gz WYTWWZCWFOVVOX-LBPRGKRZSA-N 0 1 279.771 3.744 20 0 CHADMN Cc1ccc2c(-c3nc(C4(N)CCCC4)no3)csc2c1 ZINC000414627065 263016515 /nfs/dbraw/zinc/01/65/15/263016515.db2.gz YRNCANYYVQQPGF-UHFFFAOYSA-N 0 1 299.399 3.988 20 0 CHADMN NC1(c2noc([C@@H]3CCC[C@H]4CCCC[C@H]43)n2)CCCC1 ZINC000414626588 263016556 /nfs/dbraw/zinc/01/65/56/263016556.db2.gz JYOHATBUEFXYKI-MGPQQGTHSA-N 0 1 289.423 3.872 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cc(F)ccc2Cl)n1 ZINC000414633129 263018409 /nfs/dbraw/zinc/01/84/09/263018409.db2.gz YOLJLSODUVPNJN-NSHDSACASA-N 0 1 283.734 3.575 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cc2cc(C)c(C)cc2o1 ZINC000414673344 263030082 /nfs/dbraw/zinc/03/00/82/263030082.db2.gz DIYDXWJAIJYXNB-CYBMUJFWSA-N 0 1 289.375 3.735 20 0 CHADMN CC[C@H](C)[N@H+](CC(=O)[O-])C[C@@H](C)c1cccc(Cl)c1 ZINC000414679831 263031431 /nfs/dbraw/zinc/03/14/31/263031431.db2.gz KSZIMMLRJYNQPL-NEPJUHHUSA-N 0 1 283.799 3.629 20 0 CHADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000414686769 263032301 /nfs/dbraw/zinc/03/23/01/263032301.db2.gz VXOZDVMUGYANTL-QGZVFWFLSA-N 0 1 299.345 3.542 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1c(C)cc(Cl)cc1C ZINC000414688266 263032492 /nfs/dbraw/zinc/03/24/92/263032492.db2.gz YDEOONBJBZAGRK-LBPRGKRZSA-N 0 1 283.799 3.642 20 0 CHADMN CN(C)Cc1ccsc1C(=O)N[C@H]1CCCC(C)(C)C1 ZINC000277010617 263039288 /nfs/dbraw/zinc/03/92/88/263039288.db2.gz AXFLMGFWLCAEJE-ZDUSSCGKSA-N 0 1 294.464 3.508 20 0 CHADMN Cc1cnc(C2CCN([C@@H](C)c3cccnc3)CC2)s1 ZINC000277573082 263042136 /nfs/dbraw/zinc/04/21/36/263042136.db2.gz VEJIWMMTKLMNOC-ZDUSSCGKSA-N 0 1 287.432 3.787 20 0 CHADMN COc1cc(C)ccc1CN[C@@H]1CCCc2c(O)cccc21 ZINC000283846694 263084523 /nfs/dbraw/zinc/08/45/23/263084523.db2.gz BBUQLXLCXLOTJS-QGZVFWFLSA-N 0 1 297.398 3.876 20 0 CHADMN CCOC1CC(CN(Cc2ccco2)Cc2ccco2)C1 ZINC000285043075 263089666 /nfs/dbraw/zinc/08/96/66/263089666.db2.gz CGESVIQNNUCQJM-UHFFFAOYSA-N 0 1 289.375 3.690 20 0 CHADMN c1cc2c(o1)CCC[C@H]2NCc1cnc2ccccc2c1 ZINC000340201016 263091757 /nfs/dbraw/zinc/09/17/57/263091757.db2.gz HOBVGMMMQLHRDL-QGZVFWFLSA-N 0 1 278.355 3.995 20 0 CHADMN CCc1nc(C)c([C@@H](C)NCc2occc2C)s1 ZINC000293740104 263148501 /nfs/dbraw/zinc/14/85/01/263148501.db2.gz QQBHCUQCDFEHNR-SNVBAGLBSA-N 0 1 264.394 3.766 20 0 CHADMN c1ccc([C@H]2N(Cc3ccccn3)CC23CCC3)cc1 ZINC000293867986 263151203 /nfs/dbraw/zinc/15/12/03/263151203.db2.gz IQZKFPTVYRAOFK-QGZVFWFLSA-N 0 1 264.372 3.809 20 0 CHADMN C[C@@H]1C[C@@H](NCc2ccc(F)cc2)c2ccccc2O1 ZINC000295066183 263171669 /nfs/dbraw/zinc/17/16/69/263171669.db2.gz OWCVIDBJRSQINY-MLGOLLRUSA-N 0 1 271.335 3.828 20 0 CHADMN C[C@@H](NC[C@H]1CCCCC1(F)F)c1c(F)cncc1F ZINC000295360855 263176559 /nfs/dbraw/zinc/17/65/59/263176559.db2.gz RLROKNZOHFSYKM-NXEZZACHSA-N 0 1 290.304 3.836 20 0 CHADMN CCn1cc([C@H](C)N[C@H]2CC(C)(C)Cc3occc32)cn1 ZINC000296111969 263186035 /nfs/dbraw/zinc/18/60/35/263186035.db2.gz ZNKPIVKWWKUTAV-WFASDCNBSA-N 0 1 287.407 3.860 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)C3CCCC3)n[nH]2)cc1C ZINC000187516505 263261276 /nfs/dbraw/zinc/26/12/76/263261276.db2.gz DNUCASFBABSDDU-UHFFFAOYSA-N 0 1 297.402 3.708 20 0 CHADMN CCCCN(C)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000187594063 263263799 /nfs/dbraw/zinc/26/37/99/263263799.db2.gz FCMKQKDKRSRRRU-UHFFFAOYSA-N 0 1 285.391 3.566 20 0 CHADMN C[C@@H]1C[C@@H]1C[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000467552798 263266412 /nfs/dbraw/zinc/26/64/12/263266412.db2.gz XXFOKSFZLUUDME-VXGBXAGGSA-N 0 1 272.367 3.711 20 0 CHADMN C[C@@H]1C[C@@H]1CN1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000467552798 263266414 /nfs/dbraw/zinc/26/64/14/263266414.db2.gz XXFOKSFZLUUDME-VXGBXAGGSA-N 0 1 272.367 3.711 20 0 CHADMN COc1ccc([C@@H](N[C@@H](C)c2nccnc2C)C2CC2)cc1 ZINC000187717035 263266780 /nfs/dbraw/zinc/26/67/80/263266780.db2.gz XPTGZZIDUZRALY-UGSOOPFHSA-N 0 1 297.402 3.596 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000187785148 263270331 /nfs/dbraw/zinc/27/03/31/263270331.db2.gz NHGWAQSQLCOCOY-HIFRSBDPSA-N 0 1 299.418 3.984 20 0 CHADMN CC1(C)CC[C@@H]1NCc1c(F)cc(F)c(F)c1F ZINC000342577502 263450688 /nfs/dbraw/zinc/45/06/88/263450688.db2.gz NCXNLWHQXOOVIK-JTQLQIEISA-N 0 1 261.262 3.521 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N(C)CC[C@@H]1CCCO1 ZINC000342589243 263453068 /nfs/dbraw/zinc/45/30/68/263453068.db2.gz MIOVFOJPTDTTRT-RYUDHWBXSA-N 0 1 269.335 3.527 20 0 CHADMN CC(C)c1cc(C(=O)N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)n[nH]1 ZINC000416298222 263688948 /nfs/dbraw/zinc/68/89/48/263688948.db2.gz YLSTZASQXRGNOC-SWLSCSKDSA-N 0 1 291.439 3.820 20 0 CHADMN CCC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000157050138 263730920 /nfs/dbraw/zinc/73/09/20/263730920.db2.gz MEJDKKKTJRAIQZ-YNEHKIRRSA-N 0 1 296.842 3.684 20 0 CHADMN CC[C@@H](CCO)Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000125439595 264008825 /nfs/dbraw/zinc/00/88/25/264008825.db2.gz IFRXLARSWMTWHB-NSHDSACASA-N 0 1 298.308 3.827 20 0 CHADMN Cc1nc2ccc(NC(=O)CC(C)(C)C(F)(F)F)cc2[nH]1 ZINC000331076687 264115122 /nfs/dbraw/zinc/11/51/22/264115122.db2.gz ISUJDSXLRSGOMA-UHFFFAOYSA-N 0 1 299.296 3.788 20 0 CHADMN CS[C@H]1CC[C@@H]1NCc1nc(C(C)C)c(C)s1 ZINC000425353951 264126234 /nfs/dbraw/zinc/12/62/34/264126234.db2.gz NPKHEZLNUCZKON-QWRGUYRKSA-N 0 1 270.467 3.559 20 0 CHADMN C[C@@H](NCc1n[nH]c(C(C)(C)C)n1)c1ccc(Cl)s1 ZINC000331209885 264162546 /nfs/dbraw/zinc/16/25/46/264162546.db2.gz XDBGWUNVSJLJDE-MRVPVSSYSA-N 0 1 298.843 3.668 20 0 CHADMN CC(C)Oc1ccc(CN2CC(CC(F)F)C2)cc1 ZINC000425367052 264212441 /nfs/dbraw/zinc/21/24/41/264212441.db2.gz RUJUWANYRPRNOQ-UHFFFAOYSA-N 0 1 269.335 3.561 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@H]1COCc3ccccc31)CC2 ZINC000417404056 264216881 /nfs/dbraw/zinc/21/68/81/264216881.db2.gz OQDNQBCXZJGOSM-MOPGFXCFSA-N 0 1 295.382 3.544 20 0 CHADMN Cc1cccc(CN(C)Cc2cccc(OC(F)F)c2)n1 ZINC000353767459 264230502 /nfs/dbraw/zinc/23/05/02/264230502.db2.gz LFTRZWMTJBDPSB-UHFFFAOYSA-N 0 1 292.329 3.623 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H]1CCc2ccc(C)cc21 ZINC000188777540 264241999 /nfs/dbraw/zinc/24/19/99/264241999.db2.gz DUGIHFKTJVXJBG-SUMWQHHRSA-N 0 1 282.387 3.737 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H]1CCc2cc(F)ccc21 ZINC000188786878 264242304 /nfs/dbraw/zinc/24/23/04/264242304.db2.gz CNUJNKSOLKHGFL-ZBEGNZNMSA-N 0 1 286.350 3.567 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)C[C@H](O)CC(F)(F)F ZINC000188804960 264251394 /nfs/dbraw/zinc/25/13/94/264251394.db2.gz QFERPDYKAJSROC-VHSXEESVSA-N 0 1 295.732 3.646 20 0 CHADMN Clc1cccc(CN[C@@H]2COCc3ccccc32)c1 ZINC000225997989 264260691 /nfs/dbraw/zinc/26/06/91/264260691.db2.gz XNQRTUCDAUNMGR-MRXNPFEDSA-N 0 1 273.763 3.701 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC([C@@H]2CCCO2)CC1 ZINC000189191366 264277636 /nfs/dbraw/zinc/27/76/36/264277636.db2.gz UFINZFJQGRMNPY-PXAZEXFGSA-N 0 1 295.373 3.917 20 0 CHADMN CO[C@@H](CN1CC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000425427160 264314930 /nfs/dbraw/zinc/31/49/30/264314930.db2.gz UIMWGXOFXHFRAO-CABCVRRESA-N 0 1 265.784 3.512 20 0 CHADMN COc1ccsc1CN[C@H]1CCCc2occc21 ZINC000343278511 264319360 /nfs/dbraw/zinc/31/93/60/264319360.db2.gz LHFZSWHFJUPPML-NSHDSACASA-N 0 1 263.362 3.517 20 0 CHADMN Cc1ncsc1CN[C@@H]1CCc2sc(Cl)cc21 ZINC000129657604 264329658 /nfs/dbraw/zinc/32/96/58/264329658.db2.gz MIHPMVFAAPMUDX-SECBINFHSA-N 0 1 284.837 3.944 20 0 CHADMN CCc1nnc(CNC(C)(C)CC2CCCCCC2)o1 ZINC000190026683 264345245 /nfs/dbraw/zinc/34/52/45/264345245.db2.gz BMPRVWSWCPUKAB-UHFFFAOYSA-N 0 1 279.428 3.861 20 0 CHADMN Cc1nnc([C@H](C)N[C@@H]2CCC[C@@H]2CCC(C)C)o1 ZINC000191350681 264497060 /nfs/dbraw/zinc/49/70/60/264497060.db2.gz LUGJMJMJSNCNLA-IACUBPJLSA-N 0 1 265.401 3.634 20 0 CHADMN Cc1ccc2nc(NC(=O)c3occc3C(C)C)[nH]c2c1 ZINC000344482511 265060830 /nfs/dbraw/zinc/06/08/30/265060830.db2.gz KEXTZOVUCYDBKW-UHFFFAOYSA-N 0 1 283.331 3.840 20 0 CHADMN Fc1cncc(CN[C@H]2CCc3sc(Cl)cc32)c1 ZINC000335804578 265210702 /nfs/dbraw/zinc/21/07/02/265210702.db2.gz HSLCGLFXISABFN-NSHDSACASA-N 0 1 282.771 3.713 20 0 CHADMN FC1(c2ccccc2)CCN(Cc2cncs2)CC1 ZINC000335802891 265210609 /nfs/dbraw/zinc/21/06/09/265210609.db2.gz WEJLZXNKHWXKMV-UHFFFAOYSA-N 0 1 276.380 3.604 20 0 CHADMN C[C@H](N[C@H]1CC(C)(C)OC1(C)C)c1c(F)cccc1F ZINC000094423881 265243008 /nfs/dbraw/zinc/24/30/08/265243008.db2.gz GWJYMPUIKDHFCG-GWCFXTLKSA-N 0 1 283.362 3.962 20 0 CHADMN CC(C)=CCC[C@H](C)CCNCc1nnc(C)s1 ZINC000519050586 265303938 /nfs/dbraw/zinc/30/39/38/265303938.db2.gz AXSLYAMRQFTDOZ-LBPRGKRZSA-N 0 1 267.442 3.709 20 0 CHADMN CC[C@@]1(C)COCCN1C[C@H](OC)c1ccc(Cl)cc1 ZINC000514118680 265991808 /nfs/dbraw/zinc/99/18/08/265991808.db2.gz MCDVYXAEGBEAFT-HOTGVXAUSA-N 0 1 297.826 3.528 20 0 CHADMN c1cc(CN2CC3(CCC3)[C@H]2C2CC2)n(-c2ccccc2)n1 ZINC000356290223 266088680 /nfs/dbraw/zinc/08/86/80/266088680.db2.gz YYEIOLSKEYIEHD-GOSISDBHSA-N 0 1 293.414 3.637 20 0 CHADMN CCCN1CCC[C@@H]1C(=O)Nc1cccc(SCC)c1 ZINC000356372959 266104206 /nfs/dbraw/zinc/10/42/06/266104206.db2.gz ZFEMWANRPHEBJI-OAHLLOKOSA-N 0 1 292.448 3.612 20 0 CHADMN CC[C@]1(CO)CCCN1Cc1cscc1C(F)(F)F ZINC000356412616 266109710 /nfs/dbraw/zinc/10/97/10/266109710.db2.gz ZBDLQSLMBUOCAX-GFCCVEGCSA-N 0 1 293.354 3.504 20 0 CHADMN CCc1nnc(CNCCc2ccc(C(C)C)cc2)s1 ZINC000356515913 266128776 /nfs/dbraw/zinc/12/87/76/266128776.db2.gz AOLULOHNCKALMY-UHFFFAOYSA-N 0 1 289.448 3.556 20 0 CHADMN CCC[C@@](C)(CC)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000356646690 266153044 /nfs/dbraw/zinc/15/30/44/266153044.db2.gz QPZIGTKCVOYJBR-QGZVFWFLSA-N 0 1 291.439 3.641 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccc2c(c1)COC2 ZINC000356897831 266208524 /nfs/dbraw/zinc/20/85/24/266208524.db2.gz MMXRAXNYOUWNHO-CYBMUJFWSA-N 0 1 282.387 3.525 20 0 CHADMN COc1ccccc1[C@H]1CCN([C@@H](C)c2ncc(C)o2)C1 ZINC000357009408 266232417 /nfs/dbraw/zinc/23/24/17/266232417.db2.gz VRPUDEJINVULST-KBPBESRZSA-N 0 1 286.375 3.542 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@H]3CCC[C@@H](C)C3)cc2[nH]1 ZINC000357024470 266234544 /nfs/dbraw/zinc/23/45/44/266234544.db2.gz DUMPORWUVYKXLW-PWSUYJOCSA-N 0 1 271.364 3.636 20 0 CHADMN CCCC1CCC(N(C)C(=O)c2cccc3c[nH]nc32)CC1 ZINC000357169801 266259509 /nfs/dbraw/zinc/25/95/09/266259509.db2.gz XOTAPANWKVRMCW-UHFFFAOYSA-N 0 1 299.418 3.994 20 0 CHADMN CCc1cc(OC)ccc1CN[C@H]1COCc2ccccc21 ZINC000418109060 266271017 /nfs/dbraw/zinc/27/10/17/266271017.db2.gz SLRSTWPVEFLQKH-IBGZPJMESA-N 0 1 297.398 3.619 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1nnc(Cc2ccccc2C)o1 ZINC000357556531 266324060 /nfs/dbraw/zinc/32/40/60/266324060.db2.gz UXXKVOZSYBAWFD-GOEBONIOSA-N 0 1 299.418 3.732 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1nc(-c2cccs2)no1 ZINC000357557781 266325082 /nfs/dbraw/zinc/32/50/82/266325082.db2.gz ZTOCAOGSHRKQQS-WDEREUQCSA-N 0 1 277.393 3.561 20 0 CHADMN COc1ccc(C)cc1CN(Cc1cccnc1)C(C)C ZINC000357617894 266337596 /nfs/dbraw/zinc/33/75/96/266337596.db2.gz SUCMGMFCKBODHV-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN CSc1ccc(CNc2nccn2CC(C)C)s1 ZINC000357710566 266350139 /nfs/dbraw/zinc/35/01/39/266350139.db2.gz WWFCBJSNTHCSIU-UHFFFAOYSA-N 0 1 281.450 3.935 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CCC[C@@H](C)[C@@H]1C ZINC000357734054 266353525 /nfs/dbraw/zinc/35/35/25/266353525.db2.gz QTWRBBDYUCHXFD-OLZOCXBDSA-N 0 1 289.398 3.816 20 0 CHADMN C[C@H](NCc1ccc(C2CC2)cc1)c1ccc(F)cn1 ZINC000357785666 266361602 /nfs/dbraw/zinc/36/16/02/266361602.db2.gz IRAGRNFUFQALQF-LBPRGKRZSA-N 0 1 270.351 3.949 20 0 CHADMN COc1cc(C)c([C@H](C)NCc2ccoc2C)cc1OC ZINC000358012213 266395856 /nfs/dbraw/zinc/39/58/56/266395856.db2.gz HFBXJFIINKBSHL-LBPRGKRZSA-N 0 1 289.375 3.764 20 0 CHADMN CCC1(CC)[C@H](N[C@@H](C)c2csc(C)n2)C[C@H]1OC ZINC000358287907 266448690 /nfs/dbraw/zinc/44/86/90/266448690.db2.gz MTIFCRRGTQEOMO-ZLKJLUDKSA-N 0 1 282.453 3.696 20 0 CHADMN Cn1c(CNCc2ccccc2)nc2cccc(Cl)c21 ZINC000358961019 266513664 /nfs/dbraw/zinc/51/36/64/266513664.db2.gz FGMBJMVOXWNWGC-UHFFFAOYSA-N 0 1 285.778 3.517 20 0 CHADMN CC(C)[C@H](NCc1ccc(F)cc1F)c1cccnc1 ZINC000359376546 266572664 /nfs/dbraw/zinc/57/26/64/266572664.db2.gz WCXSMJYOVFUJDX-INIZCTEOSA-N 0 1 276.330 3.847 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c1 ZINC000359592531 266603542 /nfs/dbraw/zinc/60/35/42/266603542.db2.gz YJPZPNDBPIZGLC-KZULUSFZSA-N 0 1 297.402 3.524 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)c1 ZINC000360224762 266695621 /nfs/dbraw/zinc/69/56/21/266695621.db2.gz GLUHOMCKCQHOJK-CABCVRRESA-N 0 1 297.402 3.522 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H]2CCC3(CCCCC3)O2)cs1 ZINC000360994600 266764403 /nfs/dbraw/zinc/76/44/03/266764403.db2.gz FVFZXFLQFGFADE-OCCSQVGLSA-N 0 1 294.464 3.984 20 0 CHADMN Cc1ccncc1[C@H](C)Nc1cc2c(cn1)CCCC2 ZINC000361186148 266798321 /nfs/dbraw/zinc/79/83/21/266798321.db2.gz JYZGYWAJZQLTJQ-ZDUSSCGKSA-N 0 1 267.376 3.837 20 0 CHADMN CC(C)O[C@@H]1C[C@@H](NCc2csc(C3CC3)n2)C1(C)C ZINC000361228756 266804705 /nfs/dbraw/zinc/80/47/05/266804705.db2.gz NSGJLUXKHVDLTK-ZIAGYGMSSA-N 0 1 294.464 3.702 20 0 CHADMN C[C@H](NCc1ccc(F)cn1)c1cc2c(s1)CCC2 ZINC000362129809 266931689 /nfs/dbraw/zinc/93/16/89/266931689.db2.gz ODILGWGKIILLBN-JTQLQIEISA-N 0 1 276.380 3.622 20 0 CHADMN C[C@H](N[C@H]1C[C@H]1C1CCCCC1)c1nccs1 ZINC000362301997 266959379 /nfs/dbraw/zinc/95/93/79/266959379.db2.gz ADHFIEFTKJRDKJ-DRZSPHRISA-N 0 1 250.411 3.763 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2nc(-c3ccco3)no2)C1 ZINC000362433036 266985149 /nfs/dbraw/zinc/98/51/49/266985149.db2.gz CCUUEQTWBDPRKF-INIZCTEOSA-N 0 1 289.379 3.732 20 0 CHADMN C[C@H](NCc1ccco1)c1ccc2ncsc2c1 ZINC000362524901 267001051 /nfs/dbraw/zinc/00/10/51/267001051.db2.gz KDEAREQCPMESQN-JTQLQIEISA-N 0 1 258.346 3.740 20 0 CHADMN CCC1(CC)CCN([C@H](C)c2ncc(C)o2)CC1 ZINC000362595164 267015662 /nfs/dbraw/zinc/01/56/62/267015662.db2.gz AFSWAXCPSDPETH-CYBMUJFWSA-N 0 1 250.386 3.946 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1nnc(C(C)C)o1 ZINC000362940034 267064537 /nfs/dbraw/zinc/06/45/37/267064537.db2.gz HDCVITXHUNZCSY-ZDUSSCGKSA-N 0 1 265.401 3.738 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1nnc2n1CCCCC2 ZINC000362960109 267067742 /nfs/dbraw/zinc/06/77/42/267067742.db2.gz JKBWGNMVZBRKBH-HNNXBMFYSA-N 0 1 290.455 3.549 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2coc3ccccc23)n[nH]1 ZINC000362987884 267070580 /nfs/dbraw/zinc/07/05/80/267070580.db2.gz VZXQZSUNUXSCNQ-NWDGAFQWSA-N 0 1 298.390 3.915 20 0 CHADMN CCc1cc(C(=O)Nc2ccc3nc(C)[nH]c3c2)oc1CC ZINC000362991238 267072066 /nfs/dbraw/zinc/07/20/66/267072066.db2.gz VVMFBFVNISGWOA-UHFFFAOYSA-N 0 1 297.358 3.841 20 0 CHADMN C[C@H]1Oc2ccccc2[C@@H]1NCc1cc2ccccc2[nH]1 ZINC000367402717 267075422 /nfs/dbraw/zinc/07/54/22/267075422.db2.gz SZOYIORSRMIGDZ-KZULUSFZSA-N 0 1 278.355 3.780 20 0 CHADMN C[C@@H](NCc1cnc2n1CCCC2)c1ccc(Cl)cc1 ZINC000368499324 267177689 /nfs/dbraw/zinc/17/76/89/267177689.db2.gz PAQRLVMPAGDUBI-GFCCVEGCSA-N 0 1 289.810 3.724 20 0 CHADMN COc1ccc([C@H](NCc2nc(C)cs2)C(C)C)cc1 ZINC000117381863 267211832 /nfs/dbraw/zinc/21/18/32/267211832.db2.gz CUWARUDRYOTDIK-MRXNPFEDSA-N 0 1 290.432 3.947 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCCNC(C)(C)c1nccs1 ZINC000118848494 267274035 /nfs/dbraw/zinc/27/40/35/267274035.db2.gz YWEYLZOCERJWOL-OLZOCXBDSA-N 0 1 282.453 3.563 20 0 CHADMN CCOc1cc(C)ccc1CN[C@@H](C)c1cnc(C)nc1C ZINC000119239400 267312549 /nfs/dbraw/zinc/31/25/49/267312549.db2.gz WHUIOKRJAUALED-ZDUSSCGKSA-N 0 1 299.418 3.651 20 0 CHADMN CC(C)C[C@@H]1CCCN([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000119245374 267312569 /nfs/dbraw/zinc/31/25/69/267312569.db2.gz AIADAXKHTWNZFJ-STQMWFEESA-N 0 1 277.412 3.766 20 0 CHADMN COc1cccc2c1OCC[C@@H]2N[C@@H](C)c1cccc(O)c1 ZINC000370636833 267334130 /nfs/dbraw/zinc/33/41/30/267334130.db2.gz SDWNXZVRPIUNEI-LRDDRELGSA-N 0 1 299.370 3.575 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)CC(C)(C)O1 ZINC000119519302 267343518 /nfs/dbraw/zinc/34/35/18/267343518.db2.gz VGXDGCSBKCCZGI-OAHLLOKOSA-N 0 1 296.414 3.748 20 0 CHADMN CO[C@@H](CN1CCC[C@@H]1c1cc(C)on1)c1ccccc1 ZINC000371183726 267360396 /nfs/dbraw/zinc/36/03/96/267360396.db2.gz KGMZGTWHSYYFAJ-SJORKVTESA-N 0 1 286.375 3.508 20 0 CHADMN CC[C@H]1C[C@@]1(NCc1cncn1CC)c1cccc(C)c1 ZINC000418143666 267365719 /nfs/dbraw/zinc/36/57/19/267365719.db2.gz MMQPIWXHSRWMBP-YJBOKZPZSA-N 0 1 283.419 3.626 20 0 CHADMN CC1CCC(OC2CCN(Cc3ccco3)CC2)CC1 ZINC000371315732 267388003 /nfs/dbraw/zinc/38/80/03/267388003.db2.gz WDWISPGVLJSXRX-UHFFFAOYSA-N 0 1 277.408 3.839 20 0 CHADMN Cc1ncccc1CN(C)Cc1ccccc1N1CCCC1 ZINC000121242185 267586737 /nfs/dbraw/zinc/58/67/37/267586737.db2.gz NGTWABPFDSSVPC-UHFFFAOYSA-N 0 1 295.430 3.622 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1[C@H](C)CC[C@@H]1C ZINC000123228369 268017365 /nfs/dbraw/zinc/01/73/65/268017365.db2.gz XRICHBGLEAGOJA-TXEJJXNPSA-N 0 1 275.371 3.568 20 0 CHADMN COc1ccc([C@H](NCc2nc(C)c(C)[nH]2)C(C)C)cc1 ZINC000574928101 327641864 /nfs/dbraw/zinc/64/18/64/327641864.db2.gz JGFMCBZOIINRDC-QGZVFWFLSA-N 0 1 287.407 3.522 20 0 CHADMN C[C@@H](N[C@H]1CCOc2ccc(F)cc21)c1cccc(O)c1 ZINC000178758151 327796392 /nfs/dbraw/zinc/79/63/92/327796392.db2.gz UMTGRUGXLHNJML-BZNIZROVSA-N 0 1 287.334 3.706 20 0 CHADMN C[C@H](NC/C=C/c1ccncc1)c1cccc(F)c1F ZINC000487532662 327796726 /nfs/dbraw/zinc/79/67/26/327796726.db2.gz CONVXWFFCBASFO-PCAWENJQSA-N 0 1 274.314 3.724 20 0 CHADMN FC(F)(F)CC1CCN(Cc2ccc3c(n2)CCC3)CC1 ZINC000582048409 327821004 /nfs/dbraw/zinc/82/10/04/327821004.db2.gz ZUUBHDCIPARIDG-UHFFFAOYSA-N 0 1 298.352 3.735 20 0 CHADMN CC[C@@H](NC[C@H](O)c1ccc(C)cc1)c1nc(C)cs1 ZINC000184379965 327827336 /nfs/dbraw/zinc/82/73/36/327827336.db2.gz WJHOUEOUTSOGNB-CABCVRRESA-N 0 1 290.432 3.534 20 0 CHADMN FC(F)c1ccc(CNCc2ccc3c(n2)CCC3)cc1 ZINC000582107873 327863634 /nfs/dbraw/zinc/86/36/34/327863634.db2.gz CAVXDXDJSJQOTJ-UHFFFAOYSA-N 0 1 288.341 3.798 20 0 CHADMN CCOc1ccc([C@H](C)N[C@H](C)c2ccccn2)cc1 ZINC000020123490 327881840 /nfs/dbraw/zinc/88/18/40/327881840.db2.gz HIULEHRKUKLODN-UONOGXRCSA-N 0 1 270.376 3.892 20 0 CHADMN OC[C@H](NCc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000063000427 327904660 /nfs/dbraw/zinc/90/46/60/327904660.db2.gz DMGVVGZCXYXBBH-HNNXBMFYSA-N 0 1 296.197 3.817 20 0 CHADMN CCCCOCCNCc1c(Cl)cccc1Cl ZINC000040506540 327916447 /nfs/dbraw/zinc/91/64/47/327916447.db2.gz POVIPKUZMONZSP-UHFFFAOYSA-N 0 1 276.207 3.900 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc(C(C)(C)O)cc2)o1 ZINC000186610450 327917543 /nfs/dbraw/zinc/91/75/43/327917543.db2.gz ONZJCESRELEUSE-ZDUSSCGKSA-N 0 1 273.376 3.666 20 0 CHADMN Cc1cc([C@H](C)[N@@H+](C)CC2CCCCC2)oc1C(=O)[O-] ZINC000563277984 328006737 /nfs/dbraw/zinc/00/67/37/328006737.db2.gz MKMKZXGPUXFRLK-LBPRGKRZSA-N 0 1 279.380 3.859 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@@H+](CC1(C(=O)[O-])CC1)C1CC1 ZINC000563278273 328006758 /nfs/dbraw/zinc/00/67/58/328006758.db2.gz PRASFWRYFRGEOW-NSHDSACASA-N 0 1 293.794 3.730 20 0 CHADMN Cc1c2ccccc2nc(C[N@H+]2CCCC2(C)C)c1C(=O)[O-] ZINC000563280272 328007262 /nfs/dbraw/zinc/00/72/62/328007262.db2.gz OAXUVACZNOJKNC-UHFFFAOYSA-N 0 1 298.386 3.616 20 0 CHADMN CC(C)[C@@H]1CCCC[N@H+]1CC[C@H](C(=O)[O-])c1ccccc1 ZINC000563280644 328007498 /nfs/dbraw/zinc/00/74/98/328007498.db2.gz ZBNABYUCEPECHM-IRXDYDNUSA-N 0 1 289.419 3.755 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000219086293 328013354 /nfs/dbraw/zinc/01/33/54/328013354.db2.gz SXVUZCBWMIDDLW-GOEBONIOSA-N 0 1 269.392 3.833 20 0 CHADMN Cc1ccc([C@H](C)[N@@H+](C)CC(=O)NCCC(C)(C)C)cc1 ZINC000531643131 328021292 /nfs/dbraw/zinc/02/12/92/328021292.db2.gz WYXKBPSYQJFDEZ-HNNXBMFYSA-N 0 1 290.451 3.540 20 0 CHADMN Cc1ccc([C@H](C)N(C)CC(=O)NCCC(C)(C)C)cc1 ZINC000531643131 328021294 /nfs/dbraw/zinc/02/12/94/328021294.db2.gz WYXKBPSYQJFDEZ-HNNXBMFYSA-N 0 1 290.451 3.540 20 0 CHADMN CC1(C)C[C@@H](NCc2c(F)cccc2Cl)C(C)(C)O1 ZINC000531694281 328025217 /nfs/dbraw/zinc/02/52/17/328025217.db2.gz GLLFKHJHLSOISM-CYBMUJFWSA-N 0 1 285.790 3.915 20 0 CHADMN C(C[C@@H]1CCCN1Cc1nnc(C2CC2)o1)C1CCCC1 ZINC000531757186 328032088 /nfs/dbraw/zinc/03/20/88/328032088.db2.gz DWMCTXCSWXUNCP-HNNXBMFYSA-N 0 1 289.423 3.882 20 0 CHADMN Cc1ccc(SCCN2CCOC[C@@H]2C2CC2)cc1C ZINC000534126402 328035101 /nfs/dbraw/zinc/03/51/01/328035101.db2.gz IKOAMCHBAPOZBS-QGZVFWFLSA-N 0 1 291.460 3.506 20 0 CHADMN Cn1ccc(C[N@@H+](C)[C@H]2CCCc3ccccc32)c1 ZINC000534333048 328045141 /nfs/dbraw/zinc/04/51/41/328045141.db2.gz IZHNTIKGTWOVPC-KRWDZBQOSA-N 0 1 254.377 3.535 20 0 CHADMN C[C@H](NC[C@@H]1SCCc2ccccc21)c1cscn1 ZINC000534329044 328045991 /nfs/dbraw/zinc/04/59/91/328045991.db2.gz HQDGYJLGDHVINX-NHYWBVRUSA-N 0 1 290.457 3.824 20 0 CHADMN C[C@@H](NC[C@H]1SCCc2ccccc21)c1cscn1 ZINC000534329042 328046179 /nfs/dbraw/zinc/04/61/79/328046179.db2.gz HQDGYJLGDHVINX-IAQYHMDHSA-N 0 1 290.457 3.824 20 0 CHADMN Cc1nsc(C)c1CN1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000563352919 328057452 /nfs/dbraw/zinc/05/74/52/328057452.db2.gz INOXEBFYVKIBIP-LDYMZIIASA-N 0 1 278.343 3.533 20 0 CHADMN Cc1ncc(CN[C@@H](CC2CC2)c2ccccc2)o1 ZINC000563361356 328058714 /nfs/dbraw/zinc/05/87/14/328058714.db2.gz CMSNJNONGZXXGF-INIZCTEOSA-N 0 1 256.349 3.614 20 0 CHADMN CC1(C)CN(Cc2cc(-c3ccccc3)n[nH]2)[C@H]1C1CC1 ZINC000563486927 328069433 /nfs/dbraw/zinc/06/94/33/328069433.db2.gz KGMYLENZHNZGDS-KRWDZBQOSA-N 0 1 281.403 3.697 20 0 CHADMN CC[C@@H](NCc1ccc(COC)o1)c1ccccc1 ZINC000268789061 328071662 /nfs/dbraw/zinc/07/16/62/328071662.db2.gz LGJGIBPPDOLAOA-MRXNPFEDSA-N 0 1 259.349 3.667 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N(Cc2cc(C(C)(C)C)on2)C1 ZINC000571247058 328095269 /nfs/dbraw/zinc/09/52/69/328095269.db2.gz KUZVRQKWFWLUHJ-CHWSQXEVSA-N 0 1 264.413 3.983 20 0 CHADMN CCN(CC(=O)Nc1cccc(C)c1C)C1CC(C)(C)C1 ZINC000412044182 328102626 /nfs/dbraw/zinc/10/26/26/328102626.db2.gz XORDNIDBHYJBCQ-UHFFFAOYSA-N 0 1 288.435 3.752 20 0 CHADMN Cc1nc(CN[C@H](c2ccc(F)cc2)C2CCC2)[nH]c1C ZINC000571417829 328120659 /nfs/dbraw/zinc/12/06/59/328120659.db2.gz GCZLUSICCHAXSE-KRWDZBQOSA-N 0 1 287.382 3.797 20 0 CHADMN C/C=C\c1ccc(NC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC000571554257 328133631 /nfs/dbraw/zinc/13/36/31/328133631.db2.gz YLQVOKYTCCVKFN-IMXKFXGHSA-N 0 1 286.419 3.921 20 0 CHADMN CC[C@@H](CN1CCOC[C@H]1CC(F)F)c1ccccc1 ZINC000571601945 328136639 /nfs/dbraw/zinc/13/66/39/328136639.db2.gz ITUKWJZHCAKTNM-DZGCQCFKSA-N 0 1 283.362 3.536 20 0 CHADMN Cc1ccccc1[C@@H](N[C@@H](C)c1cc2n(n1)CCC2)C1CC1 ZINC000414112699 328152911 /nfs/dbraw/zinc/15/29/11/328152911.db2.gz KABJBGZSYZEZOR-LIRRHRJNSA-N 0 1 295.430 3.940 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2CC[C@@H]1C)c1cc2n(n1)CCC2 ZINC000414112851 328152926 /nfs/dbraw/zinc/15/29/26/328152926.db2.gz YGEVGRUWJZGOMA-CKFHNAJUSA-N 0 1 295.430 3.804 20 0 CHADMN CCc1ncc(CN2CCC[C@@H]2c2ccc(C)cc2)cn1 ZINC000414368566 328156025 /nfs/dbraw/zinc/15/60/25/328156025.db2.gz HEIDEMOZHBKXOH-QGZVFWFLSA-N 0 1 281.403 3.685 20 0 CHADMN Cc1occc1CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000414368524 328156199 /nfs/dbraw/zinc/15/61/99/328156199.db2.gz GYLMNVBJXDSUJS-MRXNPFEDSA-N 0 1 299.370 3.696 20 0 CHADMN COc1cccc([C@@H](C)N[C@H](C)c2cnn(C(C)C)c2)c1 ZINC000267186670 328174752 /nfs/dbraw/zinc/17/47/52/328174752.db2.gz CPYMSSAPOODGMM-ZIAGYGMSSA-N 0 1 287.407 3.884 20 0 CHADMN Clc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1Cl ZINC000268813795 328186036 /nfs/dbraw/zinc/18/60/36/328186036.db2.gz FOTQBCFWMDTYAW-CYBMUJFWSA-N 0 1 296.201 3.884 20 0 CHADMN CC(C)Oc1ccccc1CN[C@H](C)c1cccc(CO)c1 ZINC000271865407 328198592 /nfs/dbraw/zinc/19/85/92/328198592.db2.gz FPCFDZZXHWYVAH-OAHLLOKOSA-N 0 1 299.414 3.817 20 0 CHADMN NC1(c2noc(-c3ccc(C4CCC4)cc3)n2)CCCC1 ZINC000414612861 328201565 /nfs/dbraw/zinc/20/15/65/328201565.db2.gz FGWJQLZKJNBGRF-UHFFFAOYSA-N 0 1 283.375 3.732 20 0 CHADMN Cc1cc(Cl)ccc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000414620660 328204410 /nfs/dbraw/zinc/20/44/10/328204410.db2.gz QIDYRSQZGMAMIA-LBPRGKRZSA-N 0 1 279.771 3.744 20 0 CHADMN CC(C)C[C@H](N)c1noc(CC2CC(c3ccccc3)C2)n1 ZINC000414633609 328205302 /nfs/dbraw/zinc/20/53/02/328205302.db2.gz ZXNVLRRRPJTZBI-BCLQGDPASA-N 0 1 299.418 3.852 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000222058900 329219971 /nfs/dbraw/zinc/21/99/71/329219971.db2.gz HVMFRHLGLABJSY-NGZCFLSTSA-N 0 1 261.287 3.834 20 0 CHADMN Cc1nc(CN(CCC(C)C)C2CC2)nc2ccccc12 ZINC000170970299 328236082 /nfs/dbraw/zinc/23/60/82/328236082.db2.gz AHDJSKWCHAUYCA-UHFFFAOYSA-N 0 1 283.419 3.949 20 0 CHADMN CC(C)n1cc(CNc2ccc3cnccc3c2)cn1 ZINC000295899969 328287903 /nfs/dbraw/zinc/28/79/03/328287903.db2.gz BYVCXAMYOTYRFY-UHFFFAOYSA-N 0 1 266.348 3.624 20 0 CHADMN Cc1ccccc1-c1cnc(CN2C3CCC2CC3)o1 ZINC000534528127 328305373 /nfs/dbraw/zinc/30/53/73/328305373.db2.gz HRKLSKAAKUCCJH-UHFFFAOYSA-N 0 1 268.360 3.777 20 0 CHADMN COc1ccc(C)cc1CNCc1cccc(Cl)c1 ZINC000048408888 328308548 /nfs/dbraw/zinc/30/85/48/328308548.db2.gz UUZGUXKPDJTNLY-UHFFFAOYSA-N 0 1 275.779 3.947 20 0 CHADMN CC[C@H](C)CNc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000531931022 328319779 /nfs/dbraw/zinc/31/97/79/328319779.db2.gz BOBAKLLQWALYRW-ARFHVFGLSA-N 0 1 290.451 3.754 20 0 CHADMN CCC(CC)CN(CC)C(=O)c1ccc(O)c(Cl)c1 ZINC000048970929 328327118 /nfs/dbraw/zinc/32/71/18/328327118.db2.gz SWFFGJLAMSOQJX-UHFFFAOYSA-N 0 1 283.799 3.944 20 0 CHADMN CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(C(C)C)[nH]n1 ZINC000111194823 328335566 /nfs/dbraw/zinc/33/55/66/328335566.db2.gz OLABHKDXIGQJSX-CQSZACIVSA-N 0 1 299.418 3.974 20 0 CHADMN CCC[C@H](C)N(C)CC(=O)c1c(C)[nH]c2ccccc21 ZINC000049237717 328352229 /nfs/dbraw/zinc/35/22/29/328352229.db2.gz GPRQITLVDPLFET-LBPRGKRZSA-N 0 1 272.392 3.779 20 0 CHADMN CCCN(C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000049480405 328364780 /nfs/dbraw/zinc/36/47/80/328364780.db2.gz OXRFIVCAWWMYAG-GFCCVEGCSA-N 0 1 282.815 3.626 20 0 CHADMN CC[C@]1(C)COCCN1Cc1cc(C)nc2ccccc12 ZINC000534860635 328365622 /nfs/dbraw/zinc/36/56/22/328365622.db2.gz PDJKZJNRJNSHGZ-GOSISDBHSA-N 0 1 284.403 3.544 20 0 CHADMN CCc1cc(CN[C@H]2c3cccc(F)c3CC[C@H]2C)on1 ZINC000531976998 328367964 /nfs/dbraw/zinc/36/79/64/328367964.db2.gz CYWFCQGFGYKOCS-PIGZYNQJSA-N 0 1 288.366 3.789 20 0 CHADMN C[C@H](NCc1ccccc1CO)c1cc2ccccc2o1 ZINC000305150274 328392939 /nfs/dbraw/zinc/39/29/39/328392939.db2.gz TWHRALMQEUSEQE-ZDUSSCGKSA-N 0 1 281.355 3.776 20 0 CHADMN C[C@H](N[C@H]1CSc2ccccc21)c1ccncc1 ZINC000123632754 328454901 /nfs/dbraw/zinc/45/49/01/328454901.db2.gz ZWQJZGCCCGNIMW-FZMZJTMJSA-N 0 1 256.374 3.579 20 0 CHADMN Fc1ccc(CNCCOC2CCCC2)c(Cl)c1 ZINC000113625412 328627845 /nfs/dbraw/zinc/62/78/45/328627845.db2.gz LUABSAXVMMHITO-UHFFFAOYSA-N 0 1 271.763 3.528 20 0 CHADMN O=C([O-])CC1(C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)CC1 ZINC000575322810 335093679 /nfs/dbraw/zinc/09/36/79/335093679.db2.gz VXWMMEDEOFDLHN-UHFFFAOYSA-N 0 1 293.794 3.559 20 0 CHADMN CC(C)Oc1ccccc1CN[C@@H](C)c1cccnc1 ZINC000034993505 326793154 /nfs/dbraw/zinc/79/31/54/326793154.db2.gz MIRAULQPRDODJY-AWEZNQCLSA-N 0 1 270.376 3.720 20 0 CHADMN COc1ccc(CNCc2cc(C)sc2C)c(OC)c1 ZINC000109553943 326858810 /nfs/dbraw/zinc/85/88/10/326858810.db2.gz LUGNVKFKDRSOQZ-UHFFFAOYSA-N 0 1 291.416 3.672 20 0 CHADMN COCCC1CCN([C@@H](C)c2c(F)cccc2F)CC1 ZINC000528572543 326877881 /nfs/dbraw/zinc/87/78/81/326877881.db2.gz DMKLZHSUWMDBHW-LBPRGKRZSA-N 0 1 283.362 3.774 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@H](c1ccccc1F)[C@@H](C)O ZINC000584058063 326911403 /nfs/dbraw/zinc/91/14/03/326911403.db2.gz HIQBHQQHFKFEBZ-ZOWXZIJZSA-N 0 1 293.407 3.968 20 0 CHADMN COCC1(C)CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000539098350 326933281 /nfs/dbraw/zinc/93/32/81/326933281.db2.gz BMBOBQHCCDSZBU-LBPRGKRZSA-N 0 1 283.362 3.774 20 0 CHADMN COc1ccc(C2(NCc3nc(C)c(C)[nH]3)CCCC2)cc1 ZINC000565727401 327001320 /nfs/dbraw/zinc/00/13/20/327001320.db2.gz JJDAGNKTHZPZKX-UHFFFAOYSA-N 0 1 299.418 3.594 20 0 CHADMN CC(C)(C)CC[N@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000568654522 327008698 /nfs/dbraw/zinc/00/86/98/327008698.db2.gz KIUYAGPLADLQMK-GJZGRUSLSA-N 0 1 281.440 3.778 20 0 CHADMN CC[N@@H+](CC[C@H](C(=O)[O-])c1ccccc1)C1CCCC1 ZINC000565780530 327011056 /nfs/dbraw/zinc/01/10/56/327011056.db2.gz ZUGQPOMWSWPORV-INIZCTEOSA-N 0 1 275.392 3.509 20 0 CHADMN CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccc2c(n1)CCC2 ZINC000568723634 327011349 /nfs/dbraw/zinc/01/13/49/327011349.db2.gz XBRCXKDRBURAEG-AWEZNQCLSA-N 0 1 298.352 3.733 20 0 CHADMN Clc1cccc(Cl)c1CNCCOCC1CCC1 ZINC000557556065 327013097 /nfs/dbraw/zinc/01/30/97/327013097.db2.gz PGQYIEGMFNVVHF-UHFFFAOYSA-N 0 1 288.218 3.900 20 0 CHADMN CCc1cccc(CN(C)[C@@H](C)c2ccccn2)c1 ZINC000189778675 327022059 /nfs/dbraw/zinc/02/20/59/327022059.db2.gz HRAQQPWQEWPBSY-AWEZNQCLSA-N 0 1 254.377 3.837 20 0 CHADMN Cc1nc(-c2ccc(CN[C@@H](C)c3cn[nH]c3)cc2)cs1 ZINC000565816377 327024806 /nfs/dbraw/zinc/02/48/06/327024806.db2.gz CTFHMXSMOFXBQG-NSHDSACASA-N 0 1 298.415 3.692 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@H]1CC[C@H]1C ZINC000557753038 327025021 /nfs/dbraw/zinc/02/50/21/327025021.db2.gz INYQCIDZDDEBRK-SKDRFNHKSA-N 0 1 260.312 3.593 20 0 CHADMN CCc1ccc([C@H](N[C@@H]2CCn3ccnc32)C(C)C)cc1 ZINC000557930327 327036209 /nfs/dbraw/zinc/03/62/09/327036209.db2.gz GYECXGCQUKZXKI-IAGOWNOFSA-N 0 1 283.419 3.877 20 0 CHADMN Cc1cc(CC(=O)Nc2cccc(-c3ccccc3)c2)n[nH]1 ZINC000557946123 327036650 /nfs/dbraw/zinc/03/66/50/327036650.db2.gz DBBYXUHYDFQTGE-UHFFFAOYSA-N 0 1 291.354 3.566 20 0 CHADMN CC(C)n1cc([C@@H](C)NCc2scnc2C2CC2)cn1 ZINC000584148623 327049725 /nfs/dbraw/zinc/04/97/25/327049725.db2.gz HMWZLCAIUAUZNH-LLVKDONJSA-N 0 1 290.436 3.649 20 0 CHADMN CC[C@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2C)C1 ZINC000030142086 327052658 /nfs/dbraw/zinc/05/26/58/327052658.db2.gz XPUWZBXOYDWOQO-ZDUSSCGKSA-N 0 1 294.826 3.709 20 0 CHADMN CC(C)[C@@H](NCc1cncc(F)c1)c1ccc(F)cc1F ZINC000558091280 327066113 /nfs/dbraw/zinc/06/61/13/327066113.db2.gz AKCSFVRXAFKALK-MRXNPFEDSA-N 0 1 294.320 3.986 20 0 CHADMN CCN(CC)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000558088281 327067525 /nfs/dbraw/zinc/06/75/25/327067525.db2.gz URIIOOCXQMLUFU-UHFFFAOYSA-N 0 1 267.241 3.825 20 0 CHADMN C[C@H]1Oc2ccccc2[C@H]1NCc1ccc(Cl)cc1 ZINC000558125601 327075022 /nfs/dbraw/zinc/07/50/22/327075022.db2.gz GKAXEHICNSGONR-BZNIZROVSA-N 0 1 273.763 3.952 20 0 CHADMN CC[C@H](C)CN(C)Cc1ncc(Cl)cc1Cl ZINC000558228594 327079723 /nfs/dbraw/zinc/07/97/23/327079723.db2.gz KWUADIKBLVLYTH-VIFPVBQESA-N 0 1 261.196 3.866 20 0 CHADMN CCCOc1ccc(CN2CC(CC(F)F)C2)cc1 ZINC000564879413 327086097 /nfs/dbraw/zinc/08/60/97/327086097.db2.gz YWLKIESGCHSUJX-UHFFFAOYSA-N 0 1 269.335 3.562 20 0 CHADMN C[C@@H](NCc1nnc(C2CC2)o1)[C@@H](C)C1CCCCC1 ZINC000558403192 327091244 /nfs/dbraw/zinc/09/12/44/327091244.db2.gz SSRLCZUBAQDWCB-VXGBXAGGSA-N 0 1 277.412 3.642 20 0 CHADMN COc1ccc(CNCc2cc(Cl)cs2)c(OC)c1 ZINC000093095077 327104509 /nfs/dbraw/zinc/10/45/09/327104509.db2.gz KXVURSIDCGVUNP-UHFFFAOYSA-N 0 1 297.807 3.709 20 0 CHADMN CC(C)[C@H](N[C@H]1CC[C@@H]1C1CCC1)c1nc(C2CC2)no1 ZINC000558699224 327115585 /nfs/dbraw/zinc/11/55/85/327115585.db2.gz DSLYHBGTRONVAL-ILXRZTDVSA-N 0 1 289.423 3.812 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000569347677 327120869 /nfs/dbraw/zinc/12/08/69/327120869.db2.gz MFIQPPIXSMOJOB-CWRNSKLLSA-N 0 1 275.392 3.508 20 0 CHADMN Fc1cccc(CN2CCS[C@H]3CCCC[C@@H]32)c1F ZINC000530992696 327121164 /nfs/dbraw/zinc/12/11/64/327121164.db2.gz DNJZJGGRDLMWAP-KBPBESRZSA-N 0 1 283.387 3.825 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@H]1CCC[C@H]1F ZINC000559008609 327137834 /nfs/dbraw/zinc/13/78/34/327137834.db2.gz CCMQNBRXZWOPJM-MFKMUULPSA-N 0 1 278.302 3.685 20 0 CHADMN Cc1ccc2[nH]c(CN3CC[C@H](OC(F)F)C3)cc2c1C ZINC000559097621 327141194 /nfs/dbraw/zinc/14/11/94/327141194.db2.gz NOSMERRCBMZILY-ZDUSSCGKSA-N 0 1 294.345 3.598 20 0 CHADMN COC1(CCNC2(C(F)F)CCCCC2)CCC1 ZINC000559243685 327149578 /nfs/dbraw/zinc/14/95/78/327149578.db2.gz NNDSREFQJTYMMR-UHFFFAOYSA-N 0 1 261.356 3.503 20 0 CHADMN Cc1cc(C)c([C@H](C)N2CC[C@@H](C)[S@](=O)CC2)c(C)c1 ZINC000559281654 327154709 /nfs/dbraw/zinc/15/47/09/327154709.db2.gz LCUHYOAIZQLTCE-GQIGUUNPSA-N 0 1 293.476 3.516 20 0 CHADMN Cc1cc([C@H](C)NCC2(c3ccc(F)cc3)CCC2)no1 ZINC000569413817 327173404 /nfs/dbraw/zinc/17/34/04/327173404.db2.gz XXTMOFPLNBXCCE-ZDUSSCGKSA-N 0 1 288.366 3.895 20 0 CHADMN Cn1cccc1CNC1(c2ccc(F)cc2F)CCCC1 ZINC000089801700 327173616 /nfs/dbraw/zinc/17/36/16/327173616.db2.gz BDQJYDAJLFRKAA-UHFFFAOYSA-N 0 1 290.357 3.862 20 0 CHADMN Cc1[nH]c2ccccc2c1C1CCN(Cc2c[nH]cn2)CC1 ZINC000092191735 327189409 /nfs/dbraw/zinc/18/94/09/327189409.db2.gz HWOZWGNFUXDSET-UHFFFAOYSA-N 0 1 294.402 3.579 20 0 CHADMN C[C@@H]1CCN(Cc2cncs2)[C@@H]1c1cccc(F)c1 ZINC000093735831 327199395 /nfs/dbraw/zinc/19/93/95/327199395.db2.gz XQCAGUNEOFPYAO-ABAIWWIYSA-N 0 1 276.380 3.865 20 0 CHADMN CCCCO[C@H]1C[C@H](N(C)Cc2cncs2)C1(C)C ZINC000093898470 327200770 /nfs/dbraw/zinc/20/07/70/327200770.db2.gz OLZNXZRIAPYECO-KBPBESRZSA-N 0 1 282.453 3.559 20 0 CHADMN Cc1occc1C[N@H+](C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000569612397 327211982 /nfs/dbraw/zinc/21/19/82/327211982.db2.gz WHIUXKQPVGFXSI-UHFFFAOYSA-N 0 1 293.750 3.572 20 0 CHADMN CCc1ncc(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)s1 ZINC000449458775 327221246 /nfs/dbraw/zinc/22/12/46/327221246.db2.gz JBIYBUMSKOPYGA-NXEZZACHSA-N 0 1 292.370 3.868 20 0 CHADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000123766327 327241837 /nfs/dbraw/zinc/24/18/37/327241837.db2.gz IZXNQWLNYXGXGR-UHFFFAOYSA-N 0 1 295.791 3.758 20 0 CHADMN CC(C)[C@H]1CN(Cc2cccc(F)c2Cl)CCCO1 ZINC000559498582 327249292 /nfs/dbraw/zinc/24/92/92/327249292.db2.gz UMTZFJHEZSMWMN-CQSZACIVSA-N 0 1 285.790 3.726 20 0 CHADMN COc1ccccc1/C=C\CN(C)[C@@H](C)c1ccco1 ZINC000255008508 327250698 /nfs/dbraw/zinc/25/06/98/327250698.db2.gz SBGDJXUXNJRIIS-PIZKADEWSA-N 0 1 271.360 3.994 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)N[C@H](C)c2cnn(C)c2)c1 ZINC000044497047 327267739 /nfs/dbraw/zinc/26/77/39/327267739.db2.gz XZASUYBBULIVHG-ZIAGYGMSSA-N 0 1 287.407 3.619 20 0 CHADMN CC[C@@H](N[C@@H]1CCC[C@@H]1F)c1cc(F)ccc1F ZINC000559915152 327270922 /nfs/dbraw/zinc/27/09/22/327270922.db2.gz IVZDPEQDWRDDKS-BFHYXJOUSA-N 0 1 257.299 3.896 20 0 CHADMN C[C@@H]([N@@H+](C)Cc1ccc(C(=O)[O-])c(Cl)c1)C1(C)CC1 ZINC000577618530 327277110 /nfs/dbraw/zinc/27/71/10/327277110.db2.gz JESIMCCMNFSWOA-SNVBAGLBSA-N 0 1 281.783 3.659 20 0 CHADMN C[C@@H](NC(=O)c1n[nH]c2ccc(Cl)cc21)c1ccccc1 ZINC000560230071 327291577 /nfs/dbraw/zinc/29/15/77/327291577.db2.gz SFKMDGWXDMQTCO-SNVBAGLBSA-N 0 1 299.761 3.707 20 0 CHADMN CN(Cc1c(F)cccc1OC(F)(F)F)CC1CC1 ZINC000560258071 327294530 /nfs/dbraw/zinc/29/45/30/327294530.db2.gz RVMAHSVYKNWCOQ-UHFFFAOYSA-N 0 1 277.261 3.566 20 0 CHADMN CCC1(C)CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000507174916 332793113 /nfs/dbraw/zinc/79/31/13/332793113.db2.gz DGKIULAEKSZRJB-ZDUSSCGKSA-N 0 1 292.398 3.665 20 0 CHADMN C[C@@H](NC1(Cc2ccc(F)cc2)CC1)c1cscn1 ZINC000560351592 327302026 /nfs/dbraw/zinc/30/20/26/327302026.db2.gz NKCOJYPJNUEIOJ-LLVKDONJSA-N 0 1 276.380 3.708 20 0 CHADMN CSCc1cnc(CN(CC2CC2)C(C)C)s1 ZINC000560449776 327308346 /nfs/dbraw/zinc/30/83/46/327308346.db2.gz PXBTZJODJGYICO-UHFFFAOYSA-N 0 1 270.467 3.627 20 0 CHADMN c1c2ccccc2oc1CN1CCOC2(CCCCC2)C1 ZINC000560543997 327321607 /nfs/dbraw/zinc/32/16/07/327321607.db2.gz MJZSDGXDCXQBDZ-UHFFFAOYSA-N 0 1 285.387 3.968 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000560582986 327327851 /nfs/dbraw/zinc/32/78/51/327327851.db2.gz MZJJFOAKGMJMSU-QWHCGFSZSA-N 0 1 294.402 3.932 20 0 CHADMN CC[C@@H]1C[C@@H](CN(C)Cc2c(F)cccc2F)CCO1 ZINC000560604850 327329709 /nfs/dbraw/zinc/32/97/09/327329709.db2.gz VYJATFHMOOLQEP-QWHCGFSZSA-N 0 1 283.362 3.602 20 0 CHADMN CC[C@H]1C[C@@H](CN(C)Cc2c(F)cccc2F)CCO1 ZINC000560604851 327329758 /nfs/dbraw/zinc/32/97/58/327329758.db2.gz VYJATFHMOOLQEP-STQMWFEESA-N 0 1 283.362 3.602 20 0 CHADMN FC[C@@H]1CCCN1Cc1ccc(-c2ccccc2)o1 ZINC000560611108 327331291 /nfs/dbraw/zinc/33/12/91/327331291.db2.gz CRRXZNOVYNTGBH-AWEZNQCLSA-N 0 1 259.324 3.881 20 0 CHADMN CC(C)(CC[N@H+]1CCC2(C1)CCCCC2)CC(=O)[O-] ZINC000566360701 327336875 /nfs/dbraw/zinc/33/68/75/327336875.db2.gz AAVIHBYYEHOAOT-UHFFFAOYSA-N 0 1 267.413 3.534 20 0 CHADMN CCCC[C@@H](CC)C[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1 ZINC000566362417 327337705 /nfs/dbraw/zinc/33/77/05/327337705.db2.gz UDVWOIUJFPLRKQ-CQSZACIVSA-N 0 1 295.398 3.929 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000566362797 327337883 /nfs/dbraw/zinc/33/78/83/327337883.db2.gz VLODHYCYZIXISC-WBMJQRKESA-N 0 1 299.370 3.664 20 0 CHADMN CC[C@H](O)CCN[C@H](C)c1cc(Cl)sc1Cl ZINC000123397583 327373862 /nfs/dbraw/zinc/37/38/62/327373862.db2.gz MWWHLIMVFVTGJQ-SFYZADRCSA-N 0 1 282.236 3.867 20 0 CHADMN CCCNc1ccc(CN[C@@H](C)c2cncs2)cc1 ZINC000574872923 327389800 /nfs/dbraw/zinc/38/98/00/327389800.db2.gz GRTHRSIKUAFUJC-LBPRGKRZSA-N 0 1 275.421 3.816 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@H](C)c3cccc(F)c3)[nH]c2c1 ZINC000561502211 327399861 /nfs/dbraw/zinc/39/98/61/327399861.db2.gz JGDJKOJKDSNSIJ-LLVKDONJSA-N 0 1 297.333 3.753 20 0 CHADMN Cc1cscc1CNCc1ccnn1-c1ccccc1 ZINC000562618039 327499550 /nfs/dbraw/zinc/49/95/50/327499550.db2.gz ZOLAAKBUERKPJJ-UHFFFAOYSA-N 0 1 283.400 3.532 20 0 CHADMN Fc1cccc([C@H](NCc2cnccn2)C2CCCC2)c1 ZINC000562685747 327505064 /nfs/dbraw/zinc/50/50/64/327505064.db2.gz BDVWFXZUXNQQIJ-QGZVFWFLSA-N 0 1 285.366 3.637 20 0 CHADMN C[C@@H](NCc1cnccc1C(C)(C)C)c1ccoc1 ZINC000562738431 327511095 /nfs/dbraw/zinc/51/10/95/327511095.db2.gz DYGLLXHDJKKCLN-GFCCVEGCSA-N 0 1 258.365 3.823 20 0 CHADMN NC1(c2noc(-c3csc(Cl)c3)n2)CCCCC1 ZINC000336009307 327532734 /nfs/dbraw/zinc/53/27/34/327532734.db2.gz FYPMRZWSFFBSSU-UHFFFAOYSA-N 0 1 283.784 3.570 20 0 CHADMN CCC1(NCc2nc(C3CCCC3)no2)CCCC1 ZINC000570160280 327572901 /nfs/dbraw/zinc/57/29/01/327572901.db2.gz LSAJHDPMVLSAQV-UHFFFAOYSA-N 0 1 263.385 3.540 20 0 CHADMN CCc1ccc([C@H](CO)N[C@H](C)c2ncccc2CC)cc1 ZINC000507485604 332809174 /nfs/dbraw/zinc/80/91/74/332809174.db2.gz MKQBMFDUQXHRKS-KDOFPFPSSA-N 0 1 298.430 3.591 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccc(C)n2)c(C)c1 ZINC000570379474 327587030 /nfs/dbraw/zinc/58/70/30/327587030.db2.gz PLMMPAMJRMREBS-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN CCOc1ccc([C@H](C)NCc2cccc(C)n2)cc1 ZINC000051573785 328623434 /nfs/dbraw/zinc/62/34/34/328623434.db2.gz BETSJPFBGBVSLN-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN CC(C)(C)c1ncc(CN2C3CCC2CC3)s1 ZINC000535779905 328631315 /nfs/dbraw/zinc/63/13/15/328631315.db2.gz STHIOMHAFPUJHR-UHFFFAOYSA-N 0 1 250.411 3.567 20 0 CHADMN Fc1cc(CN2C[C@H]3CCC[C@@H]3C2)ccc1Br ZINC000532312957 328716048 /nfs/dbraw/zinc/71/60/48/328716048.db2.gz HIWLTCSMIVCVIB-VXGBXAGGSA-N 0 1 298.199 3.820 20 0 CHADMN Clc1cccc(C2(CNCc3cocn3)CCCC2)c1 ZINC000192294966 328727707 /nfs/dbraw/zinc/72/77/07/328727707.db2.gz VTBRRZFHOGBEIO-UHFFFAOYSA-N 0 1 290.794 3.930 20 0 CHADMN CC(C)C[C@@H]1C[C@H]1NCc1csc(-c2ccccn2)n1 ZINC000395386035 328737052 /nfs/dbraw/zinc/73/70/52/328737052.db2.gz SUIYDAWFAKZDBG-IUODEOHRSA-N 0 1 287.432 3.729 20 0 CHADMN CC(C)Oc1cccc([C@H](C)N[C@@H](C)c2ccncn2)c1 ZINC000395824597 328761252 /nfs/dbraw/zinc/76/12/52/328761252.db2.gz RKMYDTVQBCORGB-KBPBESRZSA-N 0 1 285.391 3.676 20 0 CHADMN CCC(CC)NC(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000042336636 328763972 /nfs/dbraw/zinc/76/39/72/328763972.db2.gz YRCHQPZOTKUAGD-VXGBXAGGSA-N 0 1 296.842 3.684 20 0 CHADMN COc1ccc(C)cc1CNCc1ccc(F)c(F)c1 ZINC000042361254 328767214 /nfs/dbraw/zinc/76/72/14/328767214.db2.gz KGMHRCAQEFHMER-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)c1ccncn1 ZINC000395915710 328777209 /nfs/dbraw/zinc/77/72/09/328777209.db2.gz RDLOMFMDXKQXPJ-WDEREUQCSA-N 0 1 295.308 3.907 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1ccncn1)c1ccccc1 ZINC000395922040 328781119 /nfs/dbraw/zinc/78/11/19/328781119.db2.gz UINXLBQCRPUBFC-CJNGLKHVSA-N 0 1 255.365 3.525 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1ccncn1)c1ccccc1 ZINC000395922033 328781217 /nfs/dbraw/zinc/78/12/17/328781217.db2.gz UINXLBQCRPUBFC-BBRMVZONSA-N 0 1 255.365 3.525 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccncn1)c1ccc(Cl)cc1 ZINC000395951872 328788929 /nfs/dbraw/zinc/78/89/29/328788929.db2.gz GEPZETGZDJIEQI-FZMZJTMJSA-N 0 1 275.783 3.932 20 0 CHADMN Cc1ccccc1[C@H](CO)N[C@@H](C)c1cc(F)cc(F)c1 ZINC000532550969 328790615 /nfs/dbraw/zinc/79/06/15/328790615.db2.gz HFKFHIXFSDXDNU-SJCJKPOMSA-N 0 1 291.341 3.657 20 0 CHADMN COCC[C@@H](NCc1ccc(SC)s1)c1ccco1 ZINC000352836524 328812759 /nfs/dbraw/zinc/81/27/59/328812759.db2.gz MIAFFTUUEXNOQE-GFCCVEGCSA-N 0 1 297.445 3.930 20 0 CHADMN Cc1cccc(NCC2CCN(c3ccccc3)CC2)n1 ZINC000359840042 328899670 /nfs/dbraw/zinc/89/96/70/328899670.db2.gz HVDPNYKQEDKNKS-UHFFFAOYSA-N 0 1 281.403 3.719 20 0 CHADMN C[C@H](c1cnccn1)N1CCC(c2ccc(F)cc2)CC1 ZINC000375106535 329000750 /nfs/dbraw/zinc/00/07/50/329000750.db2.gz VIINPFZFNKKVKC-CYBMUJFWSA-N 0 1 285.366 3.556 20 0 CHADMN Cc1cnn([C@H]2CCN([C@H](C)c3ccccc3Cl)C2)c1 ZINC000377723276 329027177 /nfs/dbraw/zinc/02/71/77/329027177.db2.gz MZXUIDNLHYFQPI-KGLIPLIRSA-N 0 1 289.810 3.853 20 0 CHADMN c1csc([C@H]2CCCN2Cc2cccc3[nH]ccc32)n1 ZINC000378336091 329046338 /nfs/dbraw/zinc/04/63/38/329046338.db2.gz NDXLELLFSDQODN-OAHLLOKOSA-N 0 1 283.400 3.962 20 0 CHADMN FC(F)(F)c1ccccc1C1=CCN([C@H]2CCOC2)CC1 ZINC000378372019 329047846 /nfs/dbraw/zinc/04/78/46/329047846.db2.gz UBROFABOUWHMIL-ZDUSSCGKSA-N 0 1 297.320 3.583 20 0 CHADMN Cc1csc(CSCC[N@H+](C)Cc2ccccc2)n1 ZINC000193617791 329059909 /nfs/dbraw/zinc/05/99/09/329059909.db2.gz DOYLROXLCYWKFI-UHFFFAOYSA-N 0 1 292.473 3.817 20 0 CHADMN CC(C)c1noc(CN[C@@H]2CCCC[C@H]2C(C)(C)C)n1 ZINC000171688835 329078368 /nfs/dbraw/zinc/07/83/68/329078368.db2.gz FWIYOIIEZRUDJW-CHWSQXEVSA-N 0 1 279.428 3.888 20 0 CHADMN CC[C@H](CC(F)(F)F)c1nc(C2(N)CCCCC2)no1 ZINC000402596769 332840238 /nfs/dbraw/zinc/84/02/38/332840238.db2.gz BRHYIHRMMFEFFX-SECBINFHSA-N 0 1 291.317 3.634 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000582670946 329122700 /nfs/dbraw/zinc/12/27/00/329122700.db2.gz CKIHWLDEUJREFM-FVQBIDKESA-N 0 1 275.392 3.508 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1cc(-c2ccco2)on1 ZINC000172855558 329139567 /nfs/dbraw/zinc/13/95/67/329139567.db2.gz YNBXXZSIHJXREH-NWDGAFQWSA-N 0 1 260.337 3.555 20 0 CHADMN c1nc2ccc(CNc3cccc4ncccc43)cc2[nH]1 ZINC000532897721 329142387 /nfs/dbraw/zinc/14/23/87/329142387.db2.gz COTUCENUHOSHRJ-UHFFFAOYSA-N 0 1 274.327 3.723 20 0 CHADMN C[C@@H](NCc1ccccc1OC1CCC1)c1ccncc1 ZINC000174110506 329154582 /nfs/dbraw/zinc/15/45/82/329154582.db2.gz VUIOTGHJSFEYID-CQSZACIVSA-N 0 1 282.387 3.864 20 0 CHADMN C[C@@H]1CCN(CCOCC(F)(F)F)[C@H](c2ccco2)C1 ZINC000174508053 329159492 /nfs/dbraw/zinc/15/94/92/329159492.db2.gz YRXXNPXLZQTUMV-NEPJUHHUSA-N 0 1 291.313 3.632 20 0 CHADMN CO[C@H](C)c1nc(CN(C)C2CCC(C)CC2)cs1 ZINC000175049934 329162579 /nfs/dbraw/zinc/16/25/79/329162579.db2.gz HSWRMQSCVVCYOO-MBHSVXNSSA-N 0 1 282.453 3.861 20 0 CHADMN CCCN(Cc1nc([C@H](C)OC)no1)CC1CCCCC1 ZINC000175118813 329163466 /nfs/dbraw/zinc/16/34/66/329163466.db2.gz ZQRGWTFPXJJCJC-ZDUSSCGKSA-N 0 1 295.427 3.569 20 0 CHADMN CO[C@H](C)c1nc(CN(C)[C@@H]2CCCC[C@@H]2C)cs1 ZINC000177649350 329188729 /nfs/dbraw/zinc/18/87/29/329188729.db2.gz XGYXAYYMTPKCFB-OUCADQQQSA-N 0 1 282.453 3.861 20 0 CHADMN Cc1cnc(CN(C)CCC2CCCCC2)s1 ZINC000180463759 329217567 /nfs/dbraw/zinc/21/75/67/329217567.db2.gz OEMPETYJRDCFCM-UHFFFAOYSA-N 0 1 252.427 3.854 20 0 CHADMN CC[C@H](NCc1cccnc1N(C)C)c1ccccc1F ZINC000180112363 329211459 /nfs/dbraw/zinc/21/14/59/329211459.db2.gz AHKATTRNLWKKEY-INIZCTEOSA-N 0 1 287.382 3.528 20 0 CHADMN Cc1ccc([C@H](C)NCc2cn(C)nc2-c2ccccc2)o1 ZINC000180422898 329216685 /nfs/dbraw/zinc/21/66/85/329216685.db2.gz VCLDYLIXFSLFFA-AWEZNQCLSA-N 0 1 295.386 3.839 20 0 CHADMN COC[C@@H](C)N(C)Cc1ccc(Oc2ccccc2)o1 ZINC000180424138 329216834 /nfs/dbraw/zinc/21/68/34/329216834.db2.gz YISKSSPHGQTIBK-CYBMUJFWSA-N 0 1 275.348 3.539 20 0 CHADMN Cc1cnc(C[N@@H+](C)CCC2CCCCC2)s1 ZINC000180463759 329217566 /nfs/dbraw/zinc/21/75/66/329217566.db2.gz OEMPETYJRDCFCM-UHFFFAOYSA-N 0 1 252.427 3.854 20 0 CHADMN Cc1cnc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)s1 ZINC000180502560 329219831 /nfs/dbraw/zinc/21/98/31/329219831.db2.gz XJXQHXBPMITXPO-AWEZNQCLSA-N 0 1 290.407 3.655 20 0 CHADMN c1ccc(SCCN(Cc2ccccn2)C2CC2)cc1 ZINC000180859492 329223396 /nfs/dbraw/zinc/22/33/96/329223396.db2.gz UWUJUPOUXNWOTE-UHFFFAOYSA-N 0 1 284.428 3.838 20 0 CHADMN C[C@H](c1cnn(C)c1)N(C)Cc1ccccc1C(F)(F)F ZINC000180980983 329224706 /nfs/dbraw/zinc/22/47/06/329224706.db2.gz DTSKIBPLVVEZOU-LLVKDONJSA-N 0 1 297.324 3.632 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cs1 ZINC000181978335 329238582 /nfs/dbraw/zinc/23/85/82/329238582.db2.gz OSCKLGLCUPKBGC-VTPLQMEGSA-N 0 1 294.464 3.731 20 0 CHADMN Cc1cc(C)c(CN(C)Cc2cccnc2)cc1C ZINC000182032068 329238864 /nfs/dbraw/zinc/23/88/64/329238864.db2.gz LWRNJUQLDPUVSK-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN Clc1ccc2c(c1)OCCC[C@@H]2NCc1cccnc1 ZINC000182186349 329240636 /nfs/dbraw/zinc/24/06/36/329240636.db2.gz RFDHGHPUYJMJTM-HNNXBMFYSA-N 0 1 288.778 3.739 20 0 CHADMN Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C ZINC000182296437 329241547 /nfs/dbraw/zinc/24/15/47/329241547.db2.gz XZCPRTWSNAGUMS-INIZCTEOSA-N 0 1 287.382 3.811 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2cnn(CC(C)C)c2)n1 ZINC000183312016 329249531 /nfs/dbraw/zinc/24/95/31/329249531.db2.gz CDRFKIBNZMFJEV-SFHVURJKSA-N 0 1 298.434 3.580 20 0 CHADMN C[C@H](Cc1cccs1)NCc1ncc(Cl)s1 ZINC000225307410 329250842 /nfs/dbraw/zinc/25/08/42/329250842.db2.gz VJYBMFFENUFHTB-MRVPVSSYSA-N 0 1 272.826 3.579 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CCC3(CCC3)C2)s1 ZINC000183606001 329251300 /nfs/dbraw/zinc/25/13/00/329251300.db2.gz AUNFBHQCBWTDTO-UHFFFAOYSA-N 0 1 290.354 3.846 20 0 CHADMN CC[C@H](C)[C@@H](C)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000184238129 329258059 /nfs/dbraw/zinc/25/80/59/329258059.db2.gz LFZQDENWZPCBQY-GXSJLCMTSA-N 0 1 289.379 3.907 20 0 CHADMN CN(CCCCCO)Cc1cc(Cl)ccc1Cl ZINC000227119387 329267653 /nfs/dbraw/zinc/26/76/53/329267653.db2.gz KAGIMQMJDSKHSR-UHFFFAOYSA-N 0 1 276.207 3.588 20 0 CHADMN CC(C)O[C@H]1C[C@@H](NCc2nc(C(C)C)cs2)C1(C)C ZINC000185238550 329269239 /nfs/dbraw/zinc/26/92/39/329269239.db2.gz LLKFYCVMYDSXRE-KGLIPLIRSA-N 0 1 296.480 3.948 20 0 CHADMN CC[C@H](N[C@H](C)c1n[nH]c(C)n1)c1ccc(Cl)cc1 ZINC000392332697 329270572 /nfs/dbraw/zinc/27/05/72/329270572.db2.gz DBYHNAMEZUEXDY-RNCFNFMXSA-N 0 1 278.787 3.568 20 0 CHADMN C[C@H]1CCC[N@H+]1[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000582909899 329286869 /nfs/dbraw/zinc/28/68/69/329286869.db2.gz ZPFWUNOLYVDLRW-UFBFGSQYSA-N 0 1 288.174 3.603 20 0 CHADMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1ccc(C(=O)[O-])s1)C1CC1 ZINC000582909878 329286993 /nfs/dbraw/zinc/28/69/93/329286993.db2.gz YUGJRGDLLVATGA-WDEREUQCSA-N 0 1 281.421 3.845 20 0 CHADMN CC(C)[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000395707937 329300129 /nfs/dbraw/zinc/30/01/29/329300129.db2.gz ARPAECQSTREBAX-HNNXBMFYSA-N 0 1 279.355 3.534 20 0 CHADMN CCC[C@]1(C)CCC[N@H+]([C@@H](C(=O)[O-])c2ccsc2)C1 ZINC000583031043 329304962 /nfs/dbraw/zinc/30/49/62/329304962.db2.gz WFMAOPHXYCDWHJ-UKRRQHHQSA-N 0 1 281.421 3.776 20 0 CHADMN COc1cc([C@H](C)N[C@@H]2C[C@@H](C)Oc3ccccc32)ccn1 ZINC000583035692 329306111 /nfs/dbraw/zinc/30/61/11/329306111.db2.gz VWGFPUSNKUVHOF-DVOMOZLQSA-N 0 1 298.386 3.653 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000583148096 329322499 /nfs/dbraw/zinc/32/24/99/329322499.db2.gz VUUUWJYUWPDGGN-GHMZBOCLSA-N 0 1 291.372 3.937 20 0 CHADMN CC[C@H]1[C@@H](C)CCN1Cc1csc(C(C)C)n1 ZINC000185601489 329327669 /nfs/dbraw/zinc/32/76/69/329327669.db2.gz DCFAEVIHWFLPBI-AAEUAGOBSA-N 0 1 252.427 3.887 20 0 CHADMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1csc(C2CC2)n1 ZINC000185656087 329328453 /nfs/dbraw/zinc/32/84/53/329328453.db2.gz GRCNZSRVUQRUOB-GWCFXTLKSA-N 0 1 250.411 3.641 20 0 CHADMN CC[C@H]1[C@@H](C)CCN1Cc1csc(C2CC2)n1 ZINC000185656087 329328454 /nfs/dbraw/zinc/32/84/54/329328454.db2.gz GRCNZSRVUQRUOB-GWCFXTLKSA-N 0 1 250.411 3.641 20 0 CHADMN CCSc1cccc(C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000186179660 329339012 /nfs/dbraw/zinc/33/90/12/329339012.db2.gz VMVQDNKZHASLGA-CYBMUJFWSA-N 0 1 267.463 3.736 20 0 CHADMN CCCc1nc(CN[C@@H]2CCCO[C@@H]2CC(C)C)cs1 ZINC000186315454 329340807 /nfs/dbraw/zinc/34/08/07/329340807.db2.gz SVBQFZDFCOLTQT-HUUCEWRRSA-N 0 1 296.480 3.779 20 0 CHADMN COc1ccc2nc(CN3CCCCCC3)sc2c1 ZINC000186575237 329345697 /nfs/dbraw/zinc/34/56/97/329345697.db2.gz OHGBWZBFLBSVES-UHFFFAOYSA-N 0 1 276.405 3.681 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N(C)C[C@@H]1CCCO1 ZINC000186684951 329347257 /nfs/dbraw/zinc/34/72/57/329347257.db2.gz DDSIYQGDDQISAS-MNOVXSKESA-N 0 1 271.763 3.651 20 0 CHADMN Cc1ccc(CN2CCS[C@H]3CCCC[C@@H]32)c(C)n1 ZINC000187145977 329353523 /nfs/dbraw/zinc/35/35/23/329353523.db2.gz AIAMQDZDCXQROY-HOTGVXAUSA-N 0 1 276.449 3.558 20 0 CHADMN Cc1nc(SCc2ccon2)[nH]c1-c1ccccc1 ZINC000187120153 329353656 /nfs/dbraw/zinc/35/36/56/329353656.db2.gz FOOMLZKVFRCXDT-UHFFFAOYSA-N 0 1 271.345 3.665 20 0 CHADMN CC[C@H](NCc1ccc(C)nc1C)c1c(C)noc1C ZINC000187492938 329358307 /nfs/dbraw/zinc/35/83/07/329358307.db2.gz DAFPZQXZUVNNQR-HNNXBMFYSA-N 0 1 273.380 3.544 20 0 CHADMN CC/C=C\CC[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000583209646 329367522 /nfs/dbraw/zinc/36/75/22/329367522.db2.gz SGDCWFARAMYEBV-ARJAWSKDSA-N 0 1 281.783 3.583 20 0 CHADMN CC[C@H](NCc1ccc(C2CC2)cc1)c1nccn1C ZINC000188721928 329370689 /nfs/dbraw/zinc/37/06/89/329370689.db2.gz ZQOASDBXZLCENJ-INIZCTEOSA-N 0 1 269.392 3.538 20 0 CHADMN Cc1cncc(CN2CC=C(c3ccccc3)CC2)c1 ZINC000189778328 329386906 /nfs/dbraw/zinc/38/69/06/329386906.db2.gz ZPJHVBPZPLFWLV-UHFFFAOYSA-N 0 1 264.372 3.679 20 0 CHADMN c1cn(-c2ccccc2)c(NCc2ccsc2)n1 ZINC000232462426 329387203 /nfs/dbraw/zinc/38/72/03/329387203.db2.gz PLWGPLLVSBVXBA-UHFFFAOYSA-N 0 1 255.346 3.546 20 0 CHADMN CC[C@]1(C)CN(Cc2ccc(C(F)F)cc2)CCO1 ZINC000190066625 329392152 /nfs/dbraw/zinc/39/21/52/329392152.db2.gz ZZHZRSCPSUTEOG-OAHLLOKOSA-N 0 1 269.335 3.625 20 0 CHADMN Clc1ccc(NCc2n[nH]c(C3CC3)n2)c(Cl)c1 ZINC000190312591 329394668 /nfs/dbraw/zinc/39/46/68/329394668.db2.gz FBUJRCWOGPHTHA-UHFFFAOYSA-N 0 1 283.162 3.601 20 0 CHADMN COCc1cc(CN[C@H]2CCCc3occc32)ccc1F ZINC000190939647 329403319 /nfs/dbraw/zinc/40/33/19/329403319.db2.gz VUYCBUMYFNGRJP-INIZCTEOSA-N 0 1 289.350 3.732 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(F)cc1O ZINC000123825306 329563389 /nfs/dbraw/zinc/56/33/89/329563389.db2.gz JJMIZXNRSZXCGJ-TZMCWYRMSA-N 0 1 299.345 3.550 20 0 CHADMN Cc1ncc(CN2CCC(OC3CCCCC3)CC2)s1 ZINC000125429172 329582507 /nfs/dbraw/zinc/58/25/07/329582507.db2.gz ZCHOJFFFQQSREJ-UHFFFAOYSA-N 0 1 294.464 3.765 20 0 CHADMN CC(C)c1csc(CN[C@H]2CC(C)(C)OC2(C)C)n1 ZINC000128679903 329610722 /nfs/dbraw/zinc/61/07/22/329610722.db2.gz GSHWINGYNPJYEO-LBPRGKRZSA-N 0 1 282.453 3.702 20 0 CHADMN CC(C)c1ncc(CN[C@H](C)c2cccnc2)s1 ZINC000130712064 329627435 /nfs/dbraw/zinc/62/74/35/329627435.db2.gz KLMBVFVXOADVGK-LLVKDONJSA-N 0 1 261.394 3.512 20 0 CHADMN C[C@@H](NCc1ccc(F)c(Cl)c1)c1ccccn1 ZINC000053155505 329661954 /nfs/dbraw/zinc/66/19/54/329661954.db2.gz BSFYSUAIXXHGJF-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN Cc1csc(C2(NCCOCC3CCC3)CCCC2)n1 ZINC000419243974 329714113 /nfs/dbraw/zinc/71/41/13/329714113.db2.gz UDUPHBOQOJWTIH-UHFFFAOYSA-N 0 1 294.464 3.627 20 0 CHADMN Cc1ccc(-c2noc([C@@H](C)NCCCCF)n2)cc1F ZINC000509601640 332874984 /nfs/dbraw/zinc/87/49/84/332874984.db2.gz HKCSQUCCRLCODN-LLVKDONJSA-N 0 1 295.333 3.584 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccccc2F)cc(C)n1 ZINC000421201816 329805528 /nfs/dbraw/zinc/80/55/28/329805528.db2.gz NZDWCXMPZIFIGS-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN Cn1cc(CN(Cc2ccccc2)Cc2ccccc2)cn1 ZINC000070923792 329856200 /nfs/dbraw/zinc/85/62/00/329856200.db2.gz VOYAPUCMOCGTHU-UHFFFAOYSA-N 0 1 291.398 3.623 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N[C@@H](c2nccn2C)C2CC2)c1 ZINC000353855481 533710537 /nfs/dbraw/zinc/71/05/37/533710537.db2.gz NHTKWLAARKVZCX-RHSMWYFYSA-N 0 1 283.419 3.839 20 0 CHADMN Cc1ccc([C@@H](N)C(=O)N(C)c2cccc(C(C)C)c2)cc1 ZINC000262662205 330025059 /nfs/dbraw/zinc/02/50/59/330025059.db2.gz ODXMHBPSQZQMQA-GOSISDBHSA-N 0 1 296.414 3.781 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263012821 330038879 /nfs/dbraw/zinc/03/88/79/330038879.db2.gz CFPDIXOYVWMBGR-YCPHGPKFSA-N 0 1 281.440 3.778 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263027746 330039422 /nfs/dbraw/zinc/03/94/22/330039422.db2.gz GMEMFEGWLVRHPN-YCPHGPKFSA-N 0 1 281.440 3.636 20 0 CHADMN C[C@@H]1[C@H](C(=O)[O-])CCC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000263030373 330039488 /nfs/dbraw/zinc/03/94/88/330039488.db2.gz GWTXWBICSLYXOQ-CZUORRHYSA-N 0 1 299.370 3.632 20 0 CHADMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2ccc(C3CCCC3)cc2)C1 ZINC000263422430 330055000 /nfs/dbraw/zinc/05/50/00/330055000.db2.gz PILNJHXIVHZUCM-QGZVFWFLSA-N 0 1 287.403 3.641 20 0 CHADMN CC(C)CC[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263438966 330055621 /nfs/dbraw/zinc/05/56/21/330055621.db2.gz DAIAFHAAOWTYIW-INIZCTEOSA-N 0 1 275.392 3.785 20 0 CHADMN CC(C)C[C@H](C[N@H+]1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000263442352 330056097 /nfs/dbraw/zinc/05/60/97/330056097.db2.gz WXRVHGHUQWBYGZ-DLBZAZTESA-N 0 1 289.419 3.613 20 0 CHADMN C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000263451685 330056474 /nfs/dbraw/zinc/05/64/74/330056474.db2.gz ZXEGRTGXQIDSQS-KBPBESRZSA-N 0 1 291.435 3.568 20 0 CHADMN CC(C)C1CCC(C[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1 ZINC000263453235 330056528 /nfs/dbraw/zinc/05/65/28/330056528.db2.gz AHDOJLPOHUKTSN-UNGSAITNSA-N 0 1 293.451 3.636 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000263476405 330057324 /nfs/dbraw/zinc/05/73/24/330057324.db2.gz MTDPZXQVYAIDGM-HNNXBMFYSA-N 0 1 299.345 3.513 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263484002 330057461 /nfs/dbraw/zinc/05/74/61/330057461.db2.gz OUWAHFKGUWQCEP-XPKDYRNWSA-N 0 1 273.376 3.538 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1cc(-c2ccccc2)cs1)C(=O)[O-] ZINC000263493371 330057970 /nfs/dbraw/zinc/05/79/70/330057970.db2.gz JBHRSUAXXPKIAK-GFCCVEGCSA-N 0 1 289.400 3.568 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C(=O)[O-])c2)o1 ZINC000263511413 330058406 /nfs/dbraw/zinc/05/84/06/330058406.db2.gz YXPQDOIZYQYJOE-HNNXBMFYSA-N 0 1 285.343 3.623 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263581139 330060011 /nfs/dbraw/zinc/06/00/11/330060011.db2.gz WUBRDTQGRBVYKH-KSSFIOAISA-N 0 1 295.382 3.763 20 0 CHADMN C[C@H](NCCCC(=O)OC(C)(C)C)c1ccncc1Cl ZINC000421828764 330084130 /nfs/dbraw/zinc/08/41/30/330084130.db2.gz FDXCOFXCYKAWEA-NSHDSACASA-N 0 1 298.814 3.508 20 0 CHADMN CO[C@@H](CN[C@H](C)c1ccncc1Cl)c1ccccc1 ZINC000421820481 330086612 /nfs/dbraw/zinc/08/66/12/330086612.db2.gz MMUFDDCSAHWCSS-WBMJQRKESA-N 0 1 290.794 3.773 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc(F)c2F)cc(C)n1 ZINC000421856920 330089290 /nfs/dbraw/zinc/08/92/90/330089290.db2.gz ORZGQRNCRVBRIC-LBPRGKRZSA-N 0 1 276.330 3.827 20 0 CHADMN C[C@@H](NCCOCc1ccccc1)c1ccncc1Cl ZINC000421832444 330091285 /nfs/dbraw/zinc/09/12/85/330091285.db2.gz MOURYDLEHJEMHT-CYBMUJFWSA-N 0 1 290.794 3.602 20 0 CHADMN COc1cc(Cl)ccc1[C@H](C)NCc1scnc1C ZINC000421838066 330092592 /nfs/dbraw/zinc/09/25/92/330092592.db2.gz UQDONJJVXUIUQM-VIFPVBQESA-N 0 1 296.823 3.964 20 0 CHADMN Cc1ccccc1C1CC([N@@H+](CC2(C(=O)[O-])CC2)C2CC2)C1 ZINC000574995787 330126203 /nfs/dbraw/zinc/12/62/03/330126203.db2.gz JYJHKXXREXKLTM-UHFFFAOYSA-N 0 1 299.414 3.570 20 0 CHADMN COc1cccc(CN(C)[C@@H](C)c2ccccc2)c1OC ZINC000171028575 330126249 /nfs/dbraw/zinc/12/62/49/330126249.db2.gz QCJHRKYFSUTRGV-AWEZNQCLSA-N 0 1 285.387 3.897 20 0 CHADMN CC[C@H](C)[N@H+](CC(=O)[O-])CC1CCC(C(C)C)CC1 ZINC000336810070 330127122 /nfs/dbraw/zinc/12/71/22/330127122.db2.gz HBAUXRBSDCARIV-NFOMZHRRSA-N 0 1 269.429 3.634 20 0 CHADMN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CCC1CCCC1 ZINC000580452402 330138862 /nfs/dbraw/zinc/13/88/62/330138862.db2.gz SYLPSDUFAGCXRX-IRXDYDNUSA-N 0 1 287.403 3.857 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000422637920 330150613 /nfs/dbraw/zinc/15/06/13/330150613.db2.gz SAJRDEINOCDKPZ-ILXRZTDVSA-N 0 1 269.429 3.636 20 0 CHADMN Cc1cc([C@@H](C)NCc2cc(C)cc(N)c2)oc1C ZINC000423480287 330201264 /nfs/dbraw/zinc/20/12/64/330201264.db2.gz PDHMMTQXCSEPJQ-GFCCVEGCSA-N 0 1 258.365 3.638 20 0 CHADMN Cc1cc(N)cc(CN[C@@H](c2ncc[nH]2)C2CCCCC2)c1 ZINC000423486107 330206824 /nfs/dbraw/zinc/20/68/24/330206824.db2.gz VXRNXAAPPNEGQC-QGZVFWFLSA-N 0 1 298.434 3.712 20 0 CHADMN CC(C)CO[C@H]1CCN(C/C=C\c2ccc(F)c(F)c2)C1 ZINC000580482654 330226213 /nfs/dbraw/zinc/22/62/13/330226213.db2.gz BNMNLYUHTSHDOF-JZIMQPMSSA-N 0 1 295.373 3.725 20 0 CHADMN CC1(C)C[C@@H](N[C@H](c2ccco2)c2ccccc2)CO1 ZINC000396831965 330226989 /nfs/dbraw/zinc/22/69/89/330226989.db2.gz RZIVUNRWVCMXBF-ZBFHGGJFSA-N 0 1 271.360 3.526 20 0 CHADMN CCC(CC)[C@@H](CCN[C@H](C)c1cscn1)OC ZINC000536833153 330229831 /nfs/dbraw/zinc/22/98/31/330229831.db2.gz NAJLLTYGKTUTDK-BXUZGUMPSA-N 0 1 270.442 3.635 20 0 CHADMN Cc1cc(C)c(CNCc2ccccc2Cl)cn1 ZINC000397024605 330236580 /nfs/dbraw/zinc/23/65/80/330236580.db2.gz NGRHQBZCRUAGPY-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN Cc1cc([C@H](C)NCc2cnc(C)cc2C)c(C)o1 ZINC000397057456 330237478 /nfs/dbraw/zinc/23/74/78/330237478.db2.gz NOPQPNUGPLGIAU-ZDUSSCGKSA-N 0 1 258.365 3.759 20 0 CHADMN C[C@@H]1CCCC[C@H]1CC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000527495725 330249702 /nfs/dbraw/zinc/24/97/02/330249702.db2.gz PSMHIGUYZAVENI-OLZOCXBDSA-N 0 1 298.390 3.627 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc3c(c1)COC3)CO2 ZINC000536854661 330249868 /nfs/dbraw/zinc/24/98/68/330249868.db2.gz YBZWEEVEKNMKRW-FZKQIMNGSA-N 0 1 295.382 3.810 20 0 CHADMN COc1cccc(CNCC2(F)CC2)c1OC1CCCC1 ZINC000527518197 330256771 /nfs/dbraw/zinc/25/67/71/330256771.db2.gz SLLUXYHPHVXIOY-UHFFFAOYSA-N 0 1 293.382 3.608 20 0 CHADMN Cc1cc(CN2[C@@H](C)C[C@@H]2C)c(OC(F)F)cc1C ZINC000527529471 330258033 /nfs/dbraw/zinc/25/80/33/330258033.db2.gz RMDFLDSPFQMHBZ-RYUDHWBXSA-N 0 1 269.335 3.888 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](CO)c2cccc(F)c2)cc1C ZINC000536867320 330258745 /nfs/dbraw/zinc/25/87/45/330258745.db2.gz CPYKXTLJDSPMKJ-KDOFPFPSSA-N 0 1 287.378 3.827 20 0 CHADMN Cc1cc(CN2CC[C@H](C)C[C@H]2c2ccco2)ccn1 ZINC000527532827 330262641 /nfs/dbraw/zinc/26/26/41/330262641.db2.gz DVILWTJDXPMVIF-BBRMVZONSA-N 0 1 270.376 3.956 20 0 CHADMN CC(C)Oc1ccc(CNCc2cncn2C(C)C)cc1 ZINC000424134274 330266680 /nfs/dbraw/zinc/26/66/80/330266680.db2.gz NFGSRMCVPWIMMC-UHFFFAOYSA-N 0 1 287.407 3.541 20 0 CHADMN C[C@H](N[C@@H](c1nccn1C)c1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000527634183 330267312 /nfs/dbraw/zinc/26/73/12/330267312.db2.gz BWWRHBWUZMTUBG-XDKFSHSGSA-N 0 1 295.430 3.534 20 0 CHADMN CCCOc1ccc(CNCc2ccncc2Cl)cc1 ZINC000527637751 330267621 /nfs/dbraw/zinc/26/76/21/330267621.db2.gz LQOCLCMUGCPKNO-UHFFFAOYSA-N 0 1 290.794 3.814 20 0 CHADMN CCc1cnc(CCNCc2c(F)cc(C)cc2F)s1 ZINC000424136928 330272453 /nfs/dbraw/zinc/27/24/53/330272453.db2.gz BHVOUNBYRDBAPW-UHFFFAOYSA-N 0 1 296.386 3.624 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNCc2ccc3cn(C)nc3c2)o1 ZINC000527762074 330281364 /nfs/dbraw/zinc/28/13/64/330281364.db2.gz JQNVJYUURQDWFM-MLGOLLRUSA-N 0 1 295.386 3.580 20 0 CHADMN CC1(C)OC[C@@H]2C[C@@]21NCc1csc(Cl)c1Cl ZINC000527760971 330281394 /nfs/dbraw/zinc/28/13/94/330281394.db2.gz ASVGTCPWIXONKU-QPUJVOFHSA-N 0 1 292.231 3.712 20 0 CHADMN Fc1cccc(CN[C@@H](c2ccccn2)C2CCC2)c1 ZINC000527772573 330282176 /nfs/dbraw/zinc/28/21/76/330282176.db2.gz NFCXPNWNILJBER-QGZVFWFLSA-N 0 1 270.351 3.852 20 0 CHADMN C[C@@H]1CC(F)(F)CCN1CCC(=O)c1ccc(F)cc1 ZINC000528773803 330283904 /nfs/dbraw/zinc/28/39/04/330283904.db2.gz RJURTBXTBIRTBV-LLVKDONJSA-N 0 1 285.309 3.518 20 0 CHADMN CCc1nocc1CN[C@@H]1CCc2cc(Cl)ccc21 ZINC000527795401 330283984 /nfs/dbraw/zinc/28/39/84/330283984.db2.gz GDUJLNHIGJFFTP-OAHLLOKOSA-N 0 1 276.767 3.668 20 0 CHADMN Cc1nc(CN[C@H](c2cccc(C)c2)C(C)C)[nH]c1C ZINC000527810830 330284850 /nfs/dbraw/zinc/28/48/50/330284850.db2.gz PWKFEQVQJLXTQQ-KRWDZBQOSA-N 0 1 271.408 3.822 20 0 CHADMN C[C@@H](N[C@H]1CCc2cc(F)c(Cl)cc21)c1cnn(C)c1 ZINC000527870430 330286165 /nfs/dbraw/zinc/28/61/65/330286165.db2.gz SDWKIRSUOLJFNJ-PSLIRLAXSA-N 0 1 293.773 3.551 20 0 CHADMN CC[C@@H](C)c1ccc([C@H](C)NCc2ccnn2C)cc1 ZINC000527849347 330288172 /nfs/dbraw/zinc/28/81/72/330288172.db2.gz NHPQNXOSHBYNHH-KGLIPLIRSA-N 0 1 271.408 3.784 20 0 CHADMN Cc1noc(C)c1CN[C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527853758 330288626 /nfs/dbraw/zinc/28/86/26/330288626.db2.gz QWJYUQVNDHSJJG-HNNXBMFYSA-N 0 1 294.757 3.861 20 0 CHADMN Cc1cccc([C@@H](NCc2nnc3ccccn32)C(C)C)c1 ZINC000527884610 330291751 /nfs/dbraw/zinc/29/17/51/330291751.db2.gz GTCYQYBWSZNDOH-SFHVURJKSA-N 0 1 294.402 3.525 20 0 CHADMN Fc1cc2c(cc1Cl)[C@H](NCc1cncs1)CC2 ZINC000527889799 330292128 /nfs/dbraw/zinc/29/21/28/330292128.db2.gz IXARZYQYJBINKI-CYBMUJFWSA-N 0 1 282.771 3.713 20 0 CHADMN CC[C@H](N[C@H]1CCn2ccnc21)c1cc(C)ccc1C ZINC000527901232 330293414 /nfs/dbraw/zinc/29/34/14/330293414.db2.gz FPAVEHBHNXEMRX-HOTGVXAUSA-N 0 1 269.392 3.686 20 0 CHADMN CCn1ncc(CN[C@H](c2ccccc2C)C2CCCC2)n1 ZINC000527925045 330296365 /nfs/dbraw/zinc/29/63/65/330296365.db2.gz TXXCKWIYDADVSM-SFHVURJKSA-N 0 1 298.434 3.628 20 0 CHADMN Cc1ncccc1CN[C@@H](C)c1csc(Cl)c1 ZINC000527984391 330298516 /nfs/dbraw/zinc/29/85/16/330298516.db2.gz CVLBVRVXYMVVGZ-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN C[C@H](NCC12CC(C1)CO2)c1cc(Cl)sc1Cl ZINC000527984262 330298559 /nfs/dbraw/zinc/29/85/59/330298559.db2.gz YYQLNFHQEDPXNN-ZOTTZIKWSA-N 0 1 292.231 3.885 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@H]1CCc2cc(Cl)ccc21 ZINC000527992510 330299251 /nfs/dbraw/zinc/29/92/51/330299251.db2.gz NWWYZFVHMONTAP-BZNIZROVSA-N 0 1 287.794 3.777 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc3cn(C)nc3c2)oc1C ZINC000527965259 330301111 /nfs/dbraw/zinc/30/11/11/330301111.db2.gz WWFVVANNFUZFCA-GFCCVEGCSA-N 0 1 283.375 3.634 20 0 CHADMN CC(C)n1cncc1CN[C@@H]1CCc2c1cccc2Cl ZINC000424155180 330301910 /nfs/dbraw/zinc/30/19/10/330301910.db2.gz MIFXFLHJFOJGTP-MRXNPFEDSA-N 0 1 289.810 3.895 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@@H](C)c2ncccc2F)C12CCCC2 ZINC000528034631 330302368 /nfs/dbraw/zinc/30/23/68/330302368.db2.gz AAYLMCCJUXQPEE-AEGPPILISA-N 0 1 292.398 3.609 20 0 CHADMN Cc1cccc([C@H](N[C@H](C)c2cnccn2)C(C)C)c1 ZINC000528008497 330303602 /nfs/dbraw/zinc/30/36/02/330303602.db2.gz GRPRBNUJKUFFQC-RHSMWYFYSA-N 0 1 269.392 3.833 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnccn1)c1cc(C)ccc1C ZINC000528022516 330304787 /nfs/dbraw/zinc/30/47/87/330304787.db2.gz ZKRITPKSYZFDEK-GDBMZVCRSA-N 0 1 269.392 3.895 20 0 CHADMN Cc1nc2c(Cl)cccc2c(NCC2COC2)c1C ZINC000528227391 330316064 /nfs/dbraw/zinc/31/60/64/330316064.db2.gz QDVOEGVGEMCZON-UHFFFAOYSA-N 0 1 276.767 3.563 20 0 CHADMN Cc1ccc([C@H](C)NCc2sc(C)nc2C)o1 ZINC000076865329 330317668 /nfs/dbraw/zinc/31/76/68/330317668.db2.gz PVOJGCDYMAICRI-VIFPVBQESA-N 0 1 250.367 3.512 20 0 CHADMN COc1ccc([C@H](C)N(C)C/C=C(\C)Cl)cc1 ZINC000528338502 330319519 /nfs/dbraw/zinc/31/95/19/330319519.db2.gz NEEZUJARBKBLLG-ZKQHCESOSA-N 0 1 253.773 3.831 20 0 CHADMN Cc1ccc(-c2nc(CN[C@H]3CC34CC4)cs2)cc1 ZINC000424184516 330320120 /nfs/dbraw/zinc/32/01/20/330320120.db2.gz MNBBOCXAEDIITH-AWEZNQCLSA-N 0 1 270.401 3.761 20 0 CHADMN Clc1ccc(CN[C@@H]2CC23CC3)c(Br)c1 ZINC000424185952 330320809 /nfs/dbraw/zinc/32/08/09/330320809.db2.gz RLUXYBAFHBYEOA-LLVKDONJSA-N 0 1 286.600 3.745 20 0 CHADMN CN(Cc1nnc(-c2ccccc2)o1)CC1CCCCC1 ZINC000043999789 330323340 /nfs/dbraw/zinc/32/33/40/330323340.db2.gz DWFDJJCWNKDTDY-UHFFFAOYSA-N 0 1 285.391 3.749 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)N[C@@H](C)c1cnn(C)c1 ZINC000044497865 330328563 /nfs/dbraw/zinc/32/85/63/330328563.db2.gz IWQJMRWINWUIRY-KBPBESRZSA-N 0 1 287.407 3.619 20 0 CHADMN C[C@@H](NCc1cn2cc(Cl)ccc2n1)c1cccs1 ZINC000105861842 330330420 /nfs/dbraw/zinc/33/04/20/330330420.db2.gz XEWWGWWXPFXGFK-SNVBAGLBSA-N 0 1 291.807 3.900 20 0 CHADMN Cc1ccc([C@@H]2C[C@H]2c2nc([C@H](N)CC(C)C)no2)cc1 ZINC000424337993 330343740 /nfs/dbraw/zinc/34/37/40/330343740.db2.gz MHQKNIYDPQGQJR-RRFJBIMHSA-N 0 1 285.391 3.695 20 0 CHADMN CC(C)[C@@H](c1nc(C2(N)CCCCC2)no1)c1ccccc1 ZINC000424340316 330344012 /nfs/dbraw/zinc/34/40/12/330344012.db2.gz GCKLTOCNVSGANC-OAHLLOKOSA-N 0 1 299.418 3.976 20 0 CHADMN Cc1ccccc1[C@@H](C)Cc1nc(C2(N)CCCCC2)no1 ZINC000424344555 330344582 /nfs/dbraw/zinc/34/45/82/330344582.db2.gz LVLSBYZDBSZZND-AWEZNQCLSA-N 0 1 299.418 3.842 20 0 CHADMN Cc1cccc(C2(c3nc(C4(N)CCCCC4)no3)CC2)c1 ZINC000424343029 330346122 /nfs/dbraw/zinc/34/61/22/330346122.db2.gz IWJBCMRSDGZQAA-UHFFFAOYSA-N 0 1 297.402 3.576 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000424414363 330350528 /nfs/dbraw/zinc/35/05/28/330350528.db2.gz HJQNRTQTIKZZOD-IJEWVQPXSA-N 0 1 281.440 3.778 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000424423757 330351642 /nfs/dbraw/zinc/35/16/42/330351642.db2.gz VPWUCRMIUDDOQU-KKUMJFAQSA-N 0 1 269.429 3.778 20 0 CHADMN CSc1ccc(NCc2ccc3nc[nH]c3c2)cc1 ZINC000533211835 330353037 /nfs/dbraw/zinc/35/30/37/330353037.db2.gz RVQRKFKAAQLKKQ-UHFFFAOYSA-N 0 1 269.373 3.897 20 0 CHADMN CC[C@H](C)NC(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000533230576 330354615 /nfs/dbraw/zinc/35/46/15/330354615.db2.gz XSBWIYGMVDEJRK-LSDHHAIUSA-N 0 1 298.430 3.575 20 0 CHADMN C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000533246879 330355280 /nfs/dbraw/zinc/35/52/80/330355280.db2.gz ZPMMSRGATUMCBO-VQIMIIECSA-N 0 1 281.399 3.691 20 0 CHADMN Cc1ccccc1[C@H]1CN(CCc2ccccc2)CCO1 ZINC000533302288 330356639 /nfs/dbraw/zinc/35/66/39/330356639.db2.gz PUYKYMYMZUOPKV-LJQANCHMSA-N 0 1 281.399 3.611 20 0 CHADMN c1cc(-c2cccc(NCc3ccc4nc[nH]c4c3)c2)n[nH]1 ZINC000533330914 330357953 /nfs/dbraw/zinc/35/79/53/330357953.db2.gz IONWKENTHQFXRP-UHFFFAOYSA-N 0 1 289.342 3.565 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCC(=O)[O-] ZINC000083662798 330358721 /nfs/dbraw/zinc/35/87/21/330358721.db2.gz ZVLOZAASRARSLU-CYBMUJFWSA-N 0 1 269.772 3.588 20 0 CHADMN c1cc(CN2CCC[C@H](c3nc4ccccc4s3)C2)on1 ZINC000533334417 330358835 /nfs/dbraw/zinc/35/88/35/330358835.db2.gz KYYMQJXLLVUKJH-LBPRGKRZSA-N 0 1 299.399 3.664 20 0 CHADMN COCCOc1cccc(C[N@@H+](C)[C@@H](C)c2ccccc2)c1 ZINC000119371912 330373659 /nfs/dbraw/zinc/37/36/59/330373659.db2.gz SRAANYRDDRYBCR-INIZCTEOSA-N 0 1 299.414 3.905 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)[C@@]3(C)C[C@H]3F)cc2[nH]1 ZINC000424567116 330379380 /nfs/dbraw/zinc/37/93/80/330379380.db2.gz QLIMKHIKZIBALY-WBMJQRKESA-N 0 1 289.354 3.547 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1ccc2c(c1)OCO2 ZINC000120333752 330387107 /nfs/dbraw/zinc/38/71/07/330387107.db2.gz LWVPGNYBFIOVKW-ZDUSSCGKSA-N 0 1 299.370 3.665 20 0 CHADMN C[C@H](NCc1ccoc1)c1ccc(Br)cc1 ZINC000062103331 330387167 /nfs/dbraw/zinc/38/71/67/330387167.db2.gz BMEREGXNHANKKU-JTQLQIEISA-N 0 1 280.165 3.893 20 0 CHADMN CC[C@H]1CCCCN1Cc1nccn1Cc1ccccc1 ZINC000058419639 330388559 /nfs/dbraw/zinc/38/85/59/330388559.db2.gz YSXGVNJZWQEUSH-KRWDZBQOSA-N 0 1 283.419 3.696 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nccn1Cc1ccccc1 ZINC000058419638 330388564 /nfs/dbraw/zinc/38/85/64/330388564.db2.gz YSXGVNJZWQEUSH-QGZVFWFLSA-N 0 1 283.419 3.696 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1cc(Cl)cc2c1OCC2 ZINC000120521349 330389330 /nfs/dbraw/zinc/38/93/30/330389330.db2.gz WHVQHWWYTHGYMI-MRVPVSSYSA-N 0 1 293.716 3.705 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1cccc2c1OCCO2 ZINC000058906462 330393192 /nfs/dbraw/zinc/39/31/92/330393192.db2.gz CQPRNLZGHRCSJE-AWEZNQCLSA-N 0 1 283.371 3.651 20 0 CHADMN CC[C@@H](CN[C@@H](C)c1nccs1)Oc1cccc(F)c1 ZINC000091734750 330402641 /nfs/dbraw/zinc/40/26/41/330402641.db2.gz PLIXAPRAGKJLDH-AAEUAGOBSA-N 0 1 294.395 3.790 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCC(C)(C)CC1 ZINC000061803922 330460165 /nfs/dbraw/zinc/46/01/65/330460165.db2.gz OCFLDFDSDOTGJA-UHFFFAOYSA-N 0 1 289.419 3.910 20 0 CHADMN F[C@@H]1CCC[C@@H]1NCc1ccc(-c2ccccc2)o1 ZINC000515314738 330474484 /nfs/dbraw/zinc/47/44/84/330474484.db2.gz MIWYOUSRYUQGJA-CABCVRRESA-N 0 1 259.324 3.927 20 0 CHADMN Cc1cc(CN[C@H](c2cccc(F)c2)C2CCCC2)ncn1 ZINC000428345919 330520880 /nfs/dbraw/zinc/52/08/80/330520880.db2.gz DOVRYHUBVXULML-SFHVURJKSA-N 0 1 299.393 3.945 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H](c2ccccc2C)C2CC2)cn1 ZINC000428348881 330520954 /nfs/dbraw/zinc/52/09/54/330520954.db2.gz UVRIPHGERDPFAD-KDOFPFPSSA-N 0 1 281.403 3.895 20 0 CHADMN CCCC[C@H](COC)NCc1c(F)cc(F)c(F)c1F ZINC000430744874 330572608 /nfs/dbraw/zinc/57/26/08/330572608.db2.gz UPNLXHLMJMJVBN-SECBINFHSA-N 0 1 293.304 3.538 20 0 CHADMN CCc1ccc(CN2CCC(c3ncc(C)s3)CC2)o1 ZINC000433031557 330613344 /nfs/dbraw/zinc/61/33/44/330613344.db2.gz OHGATAUKHZAFCV-UHFFFAOYSA-N 0 1 290.432 3.987 20 0 CHADMN CC1(C)CC(NCc2csc(-c3ccco3)n2)C1 ZINC000433291260 330622685 /nfs/dbraw/zinc/62/26/85/330622685.db2.gz VPBRXOYWTIEXMS-UHFFFAOYSA-N 0 1 262.378 3.681 20 0 CHADMN CC(C)c1cccc2c1OCCC[C@@H]2NCCF ZINC000436309838 330675299 /nfs/dbraw/zinc/67/52/99/330675299.db2.gz WCZLTRCHIZSTNK-AWEZNQCLSA-N 0 1 251.345 3.583 20 0 CHADMN Cc1csc(-c2noc(-c3cc(Cl)ccc3O)n2)n1 ZINC000436929245 330688740 /nfs/dbraw/zinc/68/87/40/330688740.db2.gz YURPCKXCJPUZGF-UHFFFAOYSA-N 0 1 293.735 3.528 20 0 CHADMN Cc1cccc([C@H]2CCCN2C(=O)c2c(O)cccc2F)c1 ZINC000436941984 330689422 /nfs/dbraw/zinc/68/94/22/330689422.db2.gz FTNRSPFAXINVKT-OAHLLOKOSA-N 0 1 299.345 3.817 20 0 CHADMN FCCNCc1ccc(-c2ccccc2F)s1 ZINC000437261737 330696277 /nfs/dbraw/zinc/69/62/77/330696277.db2.gz VIWKPCNORQIQES-UHFFFAOYSA-N 0 1 253.317 3.613 20 0 CHADMN Cc1csc(CN[C@H](CC(F)(F)F)C(C)C)n1 ZINC000438482067 330725584 /nfs/dbraw/zinc/72/55/84/330725584.db2.gz AAOFAIZMXANMSO-SECBINFHSA-N 0 1 266.332 3.518 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC([C@@H]3CCCO3)CC2)c1 ZINC000439280471 330736273 /nfs/dbraw/zinc/73/62/73/330736273.db2.gz CSFSYVBMJGOISU-INIZCTEOSA-N 0 1 297.801 3.870 20 0 CHADMN CC[C@@H](C[C@@H](C)CO)Nc1ccnc2cc(F)ccc21 ZINC000439711187 330742235 /nfs/dbraw/zinc/74/22/35/330742235.db2.gz TXLTUROYPLIYAC-YPMHNXCESA-N 0 1 276.355 3.583 20 0 CHADMN Cc1ccnc(NCCc2ccc3[nH]ccc3c2)c1 ZINC000440566431 330750752 /nfs/dbraw/zinc/75/07/52/330750752.db2.gz ZSBJYMQMRJKHLI-UHFFFAOYSA-N 0 1 251.333 3.526 20 0 CHADMN FC(F)(F)c1ncc(CN[C@@H]2CCc3ccccc32)s1 ZINC000443962579 330808034 /nfs/dbraw/zinc/80/80/34/330808034.db2.gz GLSPXQLNHOQDGL-GFCCVEGCSA-N 0 1 298.333 3.939 20 0 CHADMN C[C@@H]1C[C@H](CCNCc2cocn2)CC(C)(C)C1 ZINC000443998168 330808932 /nfs/dbraw/zinc/80/89/32/330808932.db2.gz SXYYAAMHUYHDEP-OLZOCXBDSA-N 0 1 250.386 3.617 20 0 CHADMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000444440959 330812610 /nfs/dbraw/zinc/81/26/10/330812610.db2.gz TVDPYPHCHHQPCK-RYUDHWBXSA-N 0 1 296.361 3.610 20 0 CHADMN C[C@@H](NC(=O)c1sccc1CN(C)C)C1CCCCC1 ZINC000446917711 330857874 /nfs/dbraw/zinc/85/78/74/330857874.db2.gz DFSXEJFTQCPZST-GFCCVEGCSA-N 0 1 294.464 3.508 20 0 CHADMN CO[C@]1(C)C[C@@H](NCc2nc(C(C)(C)C)cs2)C1(C)C ZINC000446964872 330858716 /nfs/dbraw/zinc/85/87/16/330858716.db2.gz DDWOMKBQZIJEMF-BDJLRTHQSA-N 0 1 296.480 3.734 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)NCc2ccncc2F)c1 ZINC000449083673 330897908 /nfs/dbraw/zinc/89/79/08/330897908.db2.gz VALIZWYVPWZTLV-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN CC[C@H](CNCc1ncc(C)s1)Oc1cccc(C)c1 ZINC000449091397 330898572 /nfs/dbraw/zinc/89/85/72/330898572.db2.gz QIFATZOBQOMHPH-CQSZACIVSA-N 0 1 290.432 3.707 20 0 CHADMN CCCOc1ncccc1CNCc1cccc2ccoc21 ZINC000449105500 330899289 /nfs/dbraw/zinc/89/92/89/330899289.db2.gz IJRZOQVTNZMUNW-UHFFFAOYSA-N 0 1 296.370 3.906 20 0 CHADMN Fc1ccc([C@H](NCc2ccncc2F)C2CCC2)cc1 ZINC000449123390 330900246 /nfs/dbraw/zinc/90/02/46/330900246.db2.gz CFFLVIFDEJQCRZ-QGZVFWFLSA-N 0 1 288.341 3.991 20 0 CHADMN Cc1cc(CNC2(c3ccc4c(c3)OCO4)CC2)cs1 ZINC000449192787 330905321 /nfs/dbraw/zinc/90/53/21/330905321.db2.gz MNSOJAAQTJZRMW-UHFFFAOYSA-N 0 1 287.384 3.564 20 0 CHADMN C[C@H](CN[C@H]1CCc2cc(F)c(F)c(F)c21)C(F)(F)F ZINC000449259560 330910639 /nfs/dbraw/zinc/91/06/39/330910639.db2.gz ULSFJRMOGIAHFN-MUWHJKNJSA-N 0 1 297.242 3.879 20 0 CHADMN Cc1ccc(CN[C@H]2CCCc3c(F)cccc32)o1 ZINC000449348449 330916977 /nfs/dbraw/zinc/91/69/77/330916977.db2.gz GLDAUTLNGVDEHF-INIZCTEOSA-N 0 1 259.324 3.894 20 0 CHADMN CC[C@H](N[C@@H]1CCC[C@@H](c2cccnc2)C1)C(F)F ZINC000449365682 330919088 /nfs/dbraw/zinc/91/90/88/330919088.db2.gz WTZQEKWBXJFJBV-BNOWGMLFSA-N 0 1 268.351 3.741 20 0 CHADMN Cc1ccc(C2(CNCc3cscn3)CC2)c(C)c1 ZINC000449380780 330920963 /nfs/dbraw/zinc/92/09/63/330920963.db2.gz WVYUTASQYVCAIV-UHFFFAOYSA-N 0 1 272.417 3.581 20 0 CHADMN COc1ccc(C[C@@H](C)CN[C@@H](C)C(C)(F)F)cc1F ZINC000449411248 330923409 /nfs/dbraw/zinc/92/34/09/330923409.db2.gz ARYLOJHPDYQNLL-MNOVXSKESA-N 0 1 289.341 3.646 20 0 CHADMN C[C@H](N[C@H]1CC[C@H](c2ccccc2)C1)C(C)(F)F ZINC000449417813 330924192 /nfs/dbraw/zinc/92/41/92/330924192.db2.gz ZUOVJHWIXSJFFK-UBHSHLNASA-N 0 1 253.336 3.956 20 0 CHADMN CO[C@@H]1CCC[C@H]1NCc1csc(-c2ccsc2)n1 ZINC000449524582 330933891 /nfs/dbraw/zinc/93/38/91/330933891.db2.gz RKDCZCHPNMTWPX-CHWSQXEVSA-N 0 1 294.445 3.529 20 0 CHADMN C[C@@H](CC(C)(C)C)NCc1noc(-c2cccs2)n1 ZINC000449553544 330936367 /nfs/dbraw/zinc/93/63/67/330936367.db2.gz NAZBHUBOTBFVOB-JTQLQIEISA-N 0 1 279.409 3.712 20 0 CHADMN CCc1ncc(CN[C@@H]2c3cc(C)ccc3C[C@@H]2C)o1 ZINC000449609332 330939320 /nfs/dbraw/zinc/93/93/20/330939320.db2.gz MWNQFNBJYUDVGF-SJCJKPOMSA-N 0 1 270.376 3.569 20 0 CHADMN CC(C)n1nccc1CN[C@@H]1CCCN(C)c2ccccc21 ZINC000449648107 330941877 /nfs/dbraw/zinc/94/18/77/330941877.db2.gz FSYYBOXIPFYYSA-QGZVFWFLSA-N 0 1 298.434 3.525 20 0 CHADMN CCn1cc([C@H](C)NCc2ccc(SC)s2)cn1 ZINC000449677330 330943284 /nfs/dbraw/zinc/94/32/84/330943284.db2.gz MIJXTTSWWLPFOW-JTQLQIEISA-N 0 1 281.450 3.537 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cnc(C3CC3)o1)[C@@H](C)C2 ZINC000449708723 330945686 /nfs/dbraw/zinc/94/56/86/330945686.db2.gz WESZYTHUVHUXDI-YVEFUNNKSA-N 0 1 282.387 3.884 20 0 CHADMN C[C@H](NCc1nnc(C2CC2)s1)[C@@H](C)c1ccccc1 ZINC000450690603 330993972 /nfs/dbraw/zinc/99/39/72/330993972.db2.gz VSQLBNYCVBWKRX-NEPJUHHUSA-N 0 1 287.432 3.697 20 0 CHADMN CCN(Cc1nnc(C2CC2)s1)[C@@H]1CCCC[C@H]1C ZINC000450809256 331000693 /nfs/dbraw/zinc/00/06/93/331000693.db2.gz KBUGKTONWSAWSB-DGCLKSJQSA-N 0 1 279.453 3.816 20 0 CHADMN CC(C)c1nnc(CN(CC2CCC2)C(C)C)s1 ZINC000450867992 331003837 /nfs/dbraw/zinc/00/38/37/331003837.db2.gz YYIPHUCXXSHKHZ-UHFFFAOYSA-N 0 1 267.442 3.672 20 0 CHADMN CCn1cc([C@H](C)Nc2ccnc3cc(F)ccc32)cn1 ZINC000450880969 331004375 /nfs/dbraw/zinc/00/43/75/331004375.db2.gz XQOTVQARUKUCCT-NSHDSACASA-N 0 1 284.338 3.763 20 0 CHADMN CC(=O)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000450885725 331004711 /nfs/dbraw/zinc/00/47/11/331004711.db2.gz CXOUMVLJLOZXAU-IINYFYTJSA-N 0 1 285.309 3.662 20 0 CHADMN CCn1ccnc1[C@@H]1CCCCN1CC1=CCCCC1 ZINC000450911696 331006650 /nfs/dbraw/zinc/00/66/50/331006650.db2.gz KRLQNWGFPJQALV-INIZCTEOSA-N 0 1 273.424 3.930 20 0 CHADMN CC(F)(F)CCSc1nc(Cc2ccccc2)n[nH]1 ZINC000450946040 331008448 /nfs/dbraw/zinc/00/84/48/331008448.db2.gz XUPJWSITWDLEFM-UHFFFAOYSA-N 0 1 283.347 3.533 20 0 CHADMN CC(F)(F)CCSc1n[nH]c(Cc2ccccc2)n1 ZINC000450946040 331008449 /nfs/dbraw/zinc/00/84/49/331008449.db2.gz XUPJWSITWDLEFM-UHFFFAOYSA-N 0 1 283.347 3.533 20 0 CHADMN FCCCN1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451016536 331011897 /nfs/dbraw/zinc/01/18/97/331011897.db2.gz LRXQZFLPUUOSHG-CYBMUJFWSA-N 0 1 281.762 3.713 20 0 CHADMN C[C@]1(F)CCCN(CCCC(=O)c2ccc(F)cc2)C1 ZINC000451112252 331015876 /nfs/dbraw/zinc/01/58/76/331015876.db2.gz HWEDZJGQVMQNST-INIZCTEOSA-N 0 1 281.346 3.613 20 0 CHADMN Cc1oncc1CN1Cc2cccc(C)c2CC1(C)C ZINC000451265649 331022447 /nfs/dbraw/zinc/02/24/47/331022447.db2.gz XBEHLIPXUTWNLS-UHFFFAOYSA-N 0 1 270.376 3.628 20 0 CHADMN CCC1(NCc2nc([C@@H](C)OCC(C)C)no2)CCCC1 ZINC000451276300 331022764 /nfs/dbraw/zinc/02/27/64/331022764.db2.gz OHMFCWSPBPLTCE-CYBMUJFWSA-N 0 1 295.427 3.616 20 0 CHADMN CN(Cc1nc(C(C)(C)C)cs1)[C@@H](CO)CC(C)(C)C ZINC000451787435 331042024 /nfs/dbraw/zinc/04/20/24/331042024.db2.gz XVCMBAMXEFJAJU-GFCCVEGCSA-N 0 1 298.496 3.670 20 0 CHADMN O[C@H](CC1CCCC1)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451859340 331045163 /nfs/dbraw/zinc/04/51/63/331045163.db2.gz SRDDGCOVDSKVLX-WBVHZDCISA-N 0 1 289.419 3.748 20 0 CHADMN Fc1ccc([C@@H]2CCCN2C[C@H]2CCCCO2)c(F)c1 ZINC000451963666 331048387 /nfs/dbraw/zinc/04/83/87/331048387.db2.gz HVGMZSNUDIIJEP-CJNGLKHVSA-N 0 1 281.346 3.671 20 0 CHADMN C[C@@H](N[C@@H](C)[C@H]1CCC[C@@H](C)C1)c1nc(C2CC2)no1 ZINC000452075996 331053066 /nfs/dbraw/zinc/05/30/66/331053066.db2.gz YKQBDUANRMVOMW-CZXHOFHRSA-N 0 1 277.412 3.812 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@H](CC(C)(C)C)C2)s1 ZINC000452080339 331053262 /nfs/dbraw/zinc/05/32/62/331053262.db2.gz OPZFGYFRXXHRAP-ZYHUDNBSSA-N 0 1 267.442 3.666 20 0 CHADMN Cc1ccc([C@H](N[C@H](C)c2ccncn2)C2CC2)cc1 ZINC000453060304 331085437 /nfs/dbraw/zinc/08/54/37/331085437.db2.gz BZTVTXIULKCRHB-DYVFJYSZSA-N 0 1 267.376 3.587 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H](c1cccs1)C1CC1 ZINC000453065040 331085914 /nfs/dbraw/zinc/08/59/14/331085914.db2.gz HNEJLWOVCCZVHD-FZMZJTMJSA-N 0 1 275.421 3.766 20 0 CHADMN COc1ccc([C@H](N[C@@H](C)c2ccncn2)C(C)C)cc1 ZINC000453082069 331087337 /nfs/dbraw/zinc/08/73/37/331087337.db2.gz KSMDROAQFWEPQI-SUMWQHHRSA-N 0 1 285.391 3.533 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H](c2cccs2)C2CC2)c2nccn21 ZINC000453082612 331087429 /nfs/dbraw/zinc/08/74/29/331087429.db2.gz UYRKCVOEQGTMQQ-QKCSRTOESA-N 0 1 273.405 3.691 20 0 CHADMN Cc1cc([C@H](C)N[C@H](CO)c2ccsc2)cs1 ZINC000453198460 331100421 /nfs/dbraw/zinc/10/04/21/331100421.db2.gz OYHANDWQBZRZJX-GXFFZTMASA-N 0 1 267.419 3.502 20 0 CHADMN CC(F)(F)CCN[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000453215732 331102461 /nfs/dbraw/zinc/10/24/61/331102461.db2.gz GRTCRFBYVYDSIB-OAHLLOKOSA-N 0 1 294.320 3.945 20 0 CHADMN COC[C@@H](NC1CC(C)(F)C1)c1cccc(Cl)c1F ZINC000453230656 331104388 /nfs/dbraw/zinc/10/43/88/331104388.db2.gz DKPYRNDTDRNFQZ-VTGPFMDVSA-N 0 1 289.753 3.647 20 0 CHADMN C[C@@H](N[C@H](C)c1ccncn1)c1cccc(C2CC2)c1 ZINC000453249829 331107386 /nfs/dbraw/zinc/10/73/86/331107386.db2.gz VNHGHDAPPNCDAG-CHWSQXEVSA-N 0 1 267.376 3.766 20 0 CHADMN CCc1nc(C)c([C@@H](C)NCc2ccnc(C)c2)s1 ZINC000453285454 331110950 /nfs/dbraw/zinc/11/09/50/331110950.db2.gz IXMKNCDGBRIBHP-LLVKDONJSA-N 0 1 275.421 3.568 20 0 CHADMN CC[C@H](NCc1ccnc(C)c1)c1ccc(F)cc1F ZINC000453292797 331112030 /nfs/dbraw/zinc/11/20/30/331112030.db2.gz ORMRFRBUGBJBRG-INIZCTEOSA-N 0 1 276.330 3.909 20 0 CHADMN CCC1(N[C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000453300173 331113124 /nfs/dbraw/zinc/11/31/24/331113124.db2.gz VMYQLLZSDLRYGR-SSDOTTSWSA-N 0 1 264.316 3.755 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1cc2c(s1)CCC2 ZINC000453338295 331118728 /nfs/dbraw/zinc/11/87/28/331118728.db2.gz FVPBNPHCAMPRPF-GMXVVIOVSA-N 0 1 287.432 3.790 20 0 CHADMN CC(C)c1nc([C@H](C)NCC(C)(C)C(C)(C)O)cs1 ZINC000453345536 331119650 /nfs/dbraw/zinc/11/96/50/331119650.db2.gz FFPWPCWCWVNRCJ-NSHDSACASA-N 0 1 284.469 3.714 20 0 CHADMN C[C@@H](c1csc(Cl)c1)N1CCC[C@@]2(CCOC2)C1 ZINC000453349035 331120401 /nfs/dbraw/zinc/12/04/01/331120401.db2.gz GKTNZONQQBDUGY-SMDDNHRTSA-N 0 1 285.840 3.965 20 0 CHADMN Cc1cc([C@@H](C)NC2(Cc3ccc(F)cc3)CC2)no1 ZINC000453351992 331120915 /nfs/dbraw/zinc/12/09/15/331120915.db2.gz NCIXHHJIOVJYQA-GFCCVEGCSA-N 0 1 274.339 3.548 20 0 CHADMN Cc1cc(C)c(CN[C@H](c2ccc(F)cn2)C(C)C)cn1 ZINC000453368480 331123632 /nfs/dbraw/zinc/12/36/32/331123632.db2.gz QNKNUGCKCFDTBK-KRWDZBQOSA-N 0 1 287.382 3.719 20 0 CHADMN CCc1ncc(CN[C@H]2c3cccc(F)c3CC[C@H]2C)o1 ZINC000453368615 331123655 /nfs/dbraw/zinc/12/36/55/331123655.db2.gz HOCUYXXLPYFRLM-PIGZYNQJSA-N 0 1 288.366 3.789 20 0 CHADMN CCCc1ncc(CN[C@H]2CCCc3sccc32)o1 ZINC000453398472 331128355 /nfs/dbraw/zinc/12/83/55/331128355.db2.gz WXABFLQOCGYLAA-ZDUSSCGKSA-N 0 1 276.405 3.856 20 0 CHADMN CCOc1cc(CN2CC(CC)C2)ccc1OC(F)F ZINC000453601423 331135809 /nfs/dbraw/zinc/13/58/09/331135809.db2.gz HLXUNAMSWJGFSW-UHFFFAOYSA-N 0 1 285.334 3.529 20 0 CHADMN CCO[C@@H]1C[C@@H](Nc2ccc3cnccc3c2)C12CCC2 ZINC000453609559 331136370 /nfs/dbraw/zinc/13/63/70/331136370.db2.gz GBNFLEHVIKDKTO-IAGOWNOFSA-N 0 1 282.387 3.994 20 0 CHADMN CC[C@@]1(C(C)C)C[C@H]1NCc1ncc(Cl)s1 ZINC000453616037 331136574 /nfs/dbraw/zinc/13/65/74/331136574.db2.gz RFKZUGYRPXJQER-SKDRFNHKSA-N 0 1 258.818 3.711 20 0 CHADMN CC1(C)Cc2ccsc2CN1Cc1cncs1 ZINC000453626142 331137150 /nfs/dbraw/zinc/13/71/50/331137150.db2.gz SKMMQVAYPRRJAF-UHFFFAOYSA-N 0 1 264.419 3.542 20 0 CHADMN Cc1nc2ccc(NC(=O)C3(C4CCC4)CCC3)cc2[nH]1 ZINC000454441557 331146240 /nfs/dbraw/zinc/14/62/40/331146240.db2.gz TZIRUYNRMWKABN-UHFFFAOYSA-N 0 1 283.375 3.780 20 0 CHADMN Cc1ccc(CNCc2cccc(O)c2)cc1Cl ZINC000195440561 331173479 /nfs/dbraw/zinc/17/34/79/331173479.db2.gz YWTUUCOFAIULKM-UHFFFAOYSA-N 0 1 261.752 3.644 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C1=CC[C@H](C)CC1 ZINC000456017720 331182581 /nfs/dbraw/zinc/18/25/81/331182581.db2.gz DFALNSIPAHZROE-JTQLQIEISA-N 0 1 269.348 3.556 20 0 CHADMN CC(C)[C@H]1N(C(=O)c2[nH]nc3ccccc32)CC12CCCC2 ZINC000457178564 331213817 /nfs/dbraw/zinc/21/38/17/331213817.db2.gz VFBAYVJEWJIJCN-MRXNPFEDSA-N 0 1 297.402 3.604 20 0 CHADMN CC(C)(C)C1CN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000457347385 331219645 /nfs/dbraw/zinc/21/96/45/331219645.db2.gz WRUQLWGATBPJLZ-UHFFFAOYSA-N 0 1 289.423 3.576 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCCCC(C)C)n[nH]1 ZINC000457765141 331233688 /nfs/dbraw/zinc/23/36/88/331233688.db2.gz NDUIKZPSEAYYET-STQMWFEESA-N 0 1 294.443 3.712 20 0 CHADMN Cc1ccccc1[C@H](C)[N@@H+](C)CCn1cc(Cl)cn1 ZINC000459311161 331275713 /nfs/dbraw/zinc/27/57/13/331275713.db2.gz VJCDCXNAWLXLJL-ZDUSSCGKSA-N 0 1 277.799 3.538 20 0 CHADMN COCc1cc(CN2CCC[C@H]2CCC2CCCC2)no1 ZINC000459366182 331278467 /nfs/dbraw/zinc/27/84/67/331278467.db2.gz UDZPQGSNJWFPTF-INIZCTEOSA-N 0 1 292.423 3.756 20 0 CHADMN Cc1cc(CNCC(C)(C)c2cccc(Cl)c2)no1 ZINC000459384030 331279451 /nfs/dbraw/zinc/27/94/51/331279451.db2.gz CAACKHBFMCFIGH-UHFFFAOYSA-N 0 1 278.783 3.704 20 0 CHADMN Cc1cc(CNCC(C)(C)c2ccccc2Cl)no1 ZINC000459394946 331279724 /nfs/dbraw/zinc/27/97/24/331279724.db2.gz AGGSYKZODQSPPV-UHFFFAOYSA-N 0 1 278.783 3.704 20 0 CHADMN Cc1csc([C@@H](NCCOCC2CCCC2)C2CC2)n1 ZINC000459394803 331279740 /nfs/dbraw/zinc/27/97/40/331279740.db2.gz HLBNODVHNOQPPY-HNNXBMFYSA-N 0 1 294.464 3.699 20 0 CHADMN Clc1cccc2c1CC[C@H]2NCc1cnc(C2CC2)nc1 ZINC000459399969 331279974 /nfs/dbraw/zinc/27/99/74/331279974.db2.gz VVCKEKCBQIUREE-MRXNPFEDSA-N 0 1 299.805 3.785 20 0 CHADMN Clc1cccc(C2(NCc3cnc(C4CC4)nc3)CC2)c1 ZINC000459422090 331280726 /nfs/dbraw/zinc/28/07/26/331280726.db2.gz CVICGTUIHCWPHU-UHFFFAOYSA-N 0 1 299.805 3.786 20 0 CHADMN CCc1ccc(C(C)(C)CNCc2cc(C)on2)cc1 ZINC000459435625 331281243 /nfs/dbraw/zinc/28/12/43/331281243.db2.gz WHQAXGLAFYQUDV-UHFFFAOYSA-N 0 1 272.392 3.613 20 0 CHADMN CCOc1ncccc1CNCc1ccc(C2CC2)cc1 ZINC000459463385 331282858 /nfs/dbraw/zinc/28/28/58/331282858.db2.gz LHGIAKZKCYCNPL-UHFFFAOYSA-N 0 1 282.387 3.648 20 0 CHADMN CC1(C)[C@@H](C(F)(F)F)CCN1Cc1cnc(C2CC2)nc1 ZINC000459497345 331284841 /nfs/dbraw/zinc/28/48/41/331284841.db2.gz RZNRLKDWESJIHQ-LBPRGKRZSA-N 0 1 299.340 3.517 20 0 CHADMN COCCN(Cc1ccc(C2CC2)cc1)Cc1cccnc1 ZINC000459553960 331287486 /nfs/dbraw/zinc/28/74/86/331287486.db2.gz BLLDEXQDSYATBQ-UHFFFAOYSA-N 0 1 296.414 3.608 20 0 CHADMN Cc1cc(CNC2(Cc3ccc(Cl)cc3)CCC2)no1 ZINC000459565560 331288081 /nfs/dbraw/zinc/28/80/81/331288081.db2.gz XYEDUZVULQFJKF-UHFFFAOYSA-N 0 1 290.794 3.891 20 0 CHADMN FC(F)COCCN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459568967 331288269 /nfs/dbraw/zinc/28/82/69/331288269.db2.gz CNQORFJDFPYFKD-INIZCTEOSA-N 0 1 295.373 3.885 20 0 CHADMN CCC1(CC)CN(Cc2c[nH]nc2-c2cccs2)C1 ZINC000459597453 331290004 /nfs/dbraw/zinc/29/00/04/331290004.db2.gz PODMRFYGMFZOJA-UHFFFAOYSA-N 0 1 275.421 3.760 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN2CC3(C2)CCCCC3)o1 ZINC000459601367 331290132 /nfs/dbraw/zinc/29/01/32/331290132.db2.gz XNMQPKXXHLAJSE-UHFFFAOYSA-N 0 1 285.391 3.744 20 0 CHADMN COCC1(C)CN(Cc2cc3cc(C)c(C)cc3o2)C1 ZINC000459626093 331290977 /nfs/dbraw/zinc/29/09/77/331290977.db2.gz YPCFKPYJQLZEGQ-UHFFFAOYSA-N 0 1 273.376 3.518 20 0 CHADMN CCC1(C)CN(Cc2ccccc2OCc2cccnc2)C1 ZINC000459633731 331291289 /nfs/dbraw/zinc/29/12/89/331291289.db2.gz LPCIZZTXDHQUEV-UHFFFAOYSA-N 0 1 296.414 3.893 20 0 CHADMN Cc1ccc(CN2CC(COc3ccccc3)C2)s1 ZINC000459638288 331291610 /nfs/dbraw/zinc/29/16/10/331291610.db2.gz YTOHJICKIJWBJA-UHFFFAOYSA-N 0 1 273.401 3.567 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cccc2nccn21 ZINC000459646385 331292010 /nfs/dbraw/zinc/29/20/10/331292010.db2.gz BVSVLQXAESPAFW-CQSZACIVSA-N 0 1 295.386 3.502 20 0 CHADMN CCOC[C@H]1CCCCN1Cc1cnc(C2CCC2)s1 ZINC000459675833 331293593 /nfs/dbraw/zinc/29/35/93/331293593.db2.gz NDZZZJRBDBXCQO-CQSZACIVSA-N 0 1 294.464 3.802 20 0 CHADMN CN(Cc1cnc([C@H]2CCCO2)s1)C1CC(C)(C)C1 ZINC000459723762 331295916 /nfs/dbraw/zinc/29/59/16/331295916.db2.gz CUOQPECABYYPGM-CYBMUJFWSA-N 0 1 280.437 3.615 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)N(C)Cc1ccncc1Cl ZINC000459768328 331299616 /nfs/dbraw/zinc/29/96/16/331299616.db2.gz QYZMQKGDUHFWNM-LBPRGKRZSA-N 0 1 292.785 3.937 20 0 CHADMN CCCCc1nc(CN[C@@H]2C[C@@H](OC)C23CCC3)cs1 ZINC000459777558 331300395 /nfs/dbraw/zinc/30/03/95/331300395.db2.gz WDOLRKKEFKZUQR-ZIAGYGMSSA-N 0 1 294.464 3.533 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc2ccccc21)c1ccn(C)n1 ZINC000459779480 331300458 /nfs/dbraw/zinc/30/04/58/331300458.db2.gz FZBLAURZRVCMEA-UONOGXRCSA-N 0 1 279.387 3.985 20 0 CHADMN Cc1cc(CN2CC3(CCCCC3)[C@H]2C(C)C)no1 ZINC000459789183 331301138 /nfs/dbraw/zinc/30/11/38/331301138.db2.gz QGXREUUUYWVLNE-OAHLLOKOSA-N 0 1 262.397 3.774 20 0 CHADMN Cc1noc(C)c1CCN(C)[C@H](C)c1ccccc1F ZINC000164875088 331305291 /nfs/dbraw/zinc/30/52/91/331305291.db2.gz AMCXIPJMQSHOPI-GFCCVEGCSA-N 0 1 276.355 3.666 20 0 CHADMN Clc1cc(Br)ccc1CNCc1cc[nH]c1 ZINC000165661925 331306252 /nfs/dbraw/zinc/30/62/52/331306252.db2.gz MRIHUBFGJLQQDR-UHFFFAOYSA-N 0 1 299.599 3.720 20 0 CHADMN Brc1ccccc1CN[C@@H]1C=CCCC1 ZINC000165893863 331306408 /nfs/dbraw/zinc/30/64/08/331306408.db2.gz JSUAMTJMNPHROI-GFCCVEGCSA-N 0 1 266.182 3.647 20 0 CHADMN CC[C@@H](NCc1cccc2c1OCO2)c1cccc(F)c1 ZINC000166540691 331307414 /nfs/dbraw/zinc/30/74/14/331307414.db2.gz SLKQYDOWPJURFF-OAHLLOKOSA-N 0 1 287.334 3.795 20 0 CHADMN CC[C@@H](NCc1c(C)noc1C)c1cccc(F)c1 ZINC000166621857 331307646 /nfs/dbraw/zinc/30/76/46/331307646.db2.gz SSZWFNVWGRHQPG-OAHLLOKOSA-N 0 1 262.328 3.671 20 0 CHADMN CC(C)c1ccc(C[C@H]2CCN(Cc3ncc[nH]3)C2)cc1 ZINC000460978386 331309966 /nfs/dbraw/zinc/30/99/66/331309966.db2.gz JPUXVUGBORGLLM-MRXNPFEDSA-N 0 1 283.419 3.598 20 0 CHADMN CCC[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000462466785 331322482 /nfs/dbraw/zinc/32/24/82/331322482.db2.gz XMZPNYKVDBARTI-HTQZYQBOSA-N 0 1 271.719 3.559 20 0 CHADMN CC(C)[C@@H]1CCN1Cc1sccc1Br ZINC000462789798 331329209 /nfs/dbraw/zinc/32/92/09/331329209.db2.gz GSNDRTUZXKLYNM-JTQLQIEISA-N 0 1 274.227 3.741 20 0 CHADMN COc1ccc(F)cc1CN[C@H]1CCc2c1cccc2C ZINC000462793050 331329374 /nfs/dbraw/zinc/32/93/74/331329374.db2.gz PNJKXXIZZQNXAS-KRWDZBQOSA-N 0 1 285.362 3.920 20 0 CHADMN C[C@@H](CC1CCOCC1)Nc1cc2c(cn1)CCCC2 ZINC000462938871 331335435 /nfs/dbraw/zinc/33/54/35/331335435.db2.gz KEMSMGDDHNXEHY-ZDUSSCGKSA-N 0 1 274.408 3.578 20 0 CHADMN c1nc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc2c1CCCC2 ZINC000462956486 331335984 /nfs/dbraw/zinc/33/59/84/331335984.db2.gz JCTINDHASWUFCI-CGTJXYLNSA-N 0 1 298.430 3.720 20 0 CHADMN CCC(CC)(CNC(=O)c1[nH]nc(C)c1C)c1ccccc1 ZINC000464692556 331364799 /nfs/dbraw/zinc/36/47/99/331364799.db2.gz SMTUKVMNRHYNSG-UHFFFAOYSA-N 0 1 299.418 3.514 20 0 CHADMN CCCCc1noc(CN2CCC[C@@H](C)[C@H]2CCC)n1 ZINC000464733201 331365724 /nfs/dbraw/zinc/36/57/24/331365724.db2.gz MVWDPMRRPUPIMF-ZIAGYGMSSA-N 0 1 279.428 3.813 20 0 CHADMN CC(C)[C@@H]1CN(Cc2ccccc2Cl)CCS1 ZINC000464771477 331367149 /nfs/dbraw/zinc/36/71/49/331367149.db2.gz KPWKQFHCJFOGBN-AWEZNQCLSA-N 0 1 269.841 3.913 20 0 CHADMN CC[C@]1(C)CCCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000464775579 331367360 /nfs/dbraw/zinc/36/73/60/331367360.db2.gz MLKBKEJKOZYBQQ-QGZVFWFLSA-N 0 1 285.391 3.749 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2ccc(F)c(F)c2)CCS1 ZINC000464789565 331368463 /nfs/dbraw/zinc/36/84/63/331368463.db2.gz OVAVOCKLFHYDAT-CMPLNLGQSA-N 0 1 271.376 3.853 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1C[C@@H](C)CC[C@H]1C ZINC000464817414 331369600 /nfs/dbraw/zinc/36/96/00/331369600.db2.gz ZIFIICSHEAYKLK-NWDGAFQWSA-N 0 1 294.826 3.707 20 0 CHADMN CCC[C@@]1(C)CCCN(CC(=O)Nc2cccc(C)c2)C1 ZINC000464845607 331370826 /nfs/dbraw/zinc/37/08/26/331370826.db2.gz GSAKNDLLAWZGQD-SFHVURJKSA-N 0 1 288.435 3.836 20 0 CHADMN CC(C)CCc1nc(CN2C[C@@H](C)[C@H](C)C2)cs1 ZINC000464846124 331370971 /nfs/dbraw/zinc/37/09/71/331370971.db2.gz QTHSOBVZWVORBA-CHWSQXEVSA-N 0 1 266.454 3.820 20 0 CHADMN COc1ccccc1/C=C/CN[C@@H]1COc2ccc(F)cc21 ZINC000466472700 331398036 /nfs/dbraw/zinc/39/80/36/331398036.db2.gz HJTNLTUFWZTLQK-MQDFFIGUSA-N 0 1 299.345 3.571 20 0 CHADMN CCC[C@@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000466473571 331398092 /nfs/dbraw/zinc/39/80/92/331398092.db2.gz KYCDXVRDTRSNBX-CQSZACIVSA-N 0 1 285.391 3.749 20 0 CHADMN Cc1ccc(C)c(CN[C@@H]2COc3ccc(F)cc32)c1 ZINC000466473673 331398125 /nfs/dbraw/zinc/39/81/25/331398125.db2.gz LVKMMXDDLIDHIX-MRXNPFEDSA-N 0 1 271.335 3.666 20 0 CHADMN CCC[C@@H]1CCCN([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000466487658 331398381 /nfs/dbraw/zinc/39/83/81/331398381.db2.gz CRMLDAAXNZDGKD-QWHCGFSZSA-N 0 1 279.428 3.940 20 0 CHADMN CCC1(C)CCN(Cc2nc3ccc(F)cc3o2)CC1 ZINC000466828826 331405838 /nfs/dbraw/zinc/40/58/38/331405838.db2.gz LFZCHAIQHNKNDS-UHFFFAOYSA-N 0 1 276.355 3.979 20 0 CHADMN CC(C)C1CCN(Cc2nc3ccc(F)cc3o2)CC1 ZINC000466957113 331408964 /nfs/dbraw/zinc/40/89/64/331408964.db2.gz XVCLQRIGLNPJAU-UHFFFAOYSA-N 0 1 276.355 3.835 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@@H](C)CC(F)(F)F ZINC000468050931 331427824 /nfs/dbraw/zinc/42/78/24/331427824.db2.gz NRGIOPVGPCPVAO-UWVGGRQHSA-N 0 1 260.303 3.636 20 0 CHADMN Fc1ccc(C2(NCc3ccc(F)cn3)CCCC2)cc1 ZINC000469708808 331455711 /nfs/dbraw/zinc/45/57/11/331455711.db2.gz AEIQWSIWPYPDOJ-UHFFFAOYSA-N 0 1 288.341 3.919 20 0 CHADMN Cc1ccc2c(c1)nc(CNC/C=C\c1ccccc1)n2C ZINC000470545373 331485288 /nfs/dbraw/zinc/48/52/88/331485288.db2.gz DXSBZXXJKFDGTG-TWGQIWQCSA-N 0 1 291.398 3.685 20 0 CHADMN COc1cccc([C@@H](C)N2CCN(c3ccccc3)CC2)c1 ZINC000470974665 331497854 /nfs/dbraw/zinc/49/78/54/331497854.db2.gz KASUHWPGORWDBI-MRXNPFEDSA-N 0 1 296.414 3.578 20 0 CHADMN CCCCCC(=O)Nc1cc(F)cc(Cl)c1O ZINC000474431427 331586687 /nfs/dbraw/zinc/58/66/87/331586687.db2.gz JJAYFQJLRWFTCN-UHFFFAOYSA-N 0 1 259.708 3.704 20 0 CHADMN CC[C@@]1(C)C[C@H]1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474445239 331587125 /nfs/dbraw/zinc/58/71/25/331587125.db2.gz LFLDJGYPWSUYPM-SDBXPKJASA-N 0 1 271.719 3.559 20 0 CHADMN Cc1ccc(CNCc2cccc(C(C)C)c2)nc1 ZINC000479410252 331727814 /nfs/dbraw/zinc/72/78/14/331727814.db2.gz HAOAZTHVGFQWHT-UHFFFAOYSA-N 0 1 254.377 3.803 20 0 CHADMN CCCn1c(CNC[C@H](C)C(F)(F)F)nc2ccccc21 ZINC000479614099 331740947 /nfs/dbraw/zinc/74/09/47/331740947.db2.gz OPIHATMKICUJLK-NSHDSACASA-N 0 1 299.340 3.734 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CCC(C)=C(C)C1 ZINC000481094499 331798064 /nfs/dbraw/zinc/79/80/64/331798064.db2.gz UJWQARULCVPMMM-UHFFFAOYSA-N 0 1 286.350 3.929 20 0 CHADMN CCC[C@@H](CN[C@H](C)c1nc(C)no1)c1ccccc1 ZINC000483339022 331870254 /nfs/dbraw/zinc/87/02/54/331870254.db2.gz LTAOGHGGXSRCGS-DOMZBBRYSA-N 0 1 273.380 3.613 20 0 CHADMN COc1cccc(Cl)c1CN(C)C1CCCC1 ZINC000513972269 333056881 /nfs/dbraw/zinc/05/68/81/333056881.db2.gz ZJUWPDDBRWIJDV-UHFFFAOYSA-N 0 1 253.773 3.723 20 0 CHADMN Cc1csc(C2(NC/C=C\c3ccncc3)CCC2)n1 ZINC000486969365 331953222 /nfs/dbraw/zinc/95/32/22/331953222.db2.gz QDVXRWCMQAQXGP-RQOWECAXSA-N 0 1 285.416 3.529 20 0 CHADMN Clc1ccsc1CNCc1ccc2c(c1)COC2 ZINC000487324048 331966206 /nfs/dbraw/zinc/96/62/06/331966206.db2.gz SUBCJVKWXIBAKF-UHFFFAOYSA-N 0 1 279.792 3.722 20 0 CHADMN CC(C)[C@@H]1C[C@@H](NCc2ccn(C3CCCC3)n2)CS1 ZINC000488414791 332005590 /nfs/dbraw/zinc/00/55/90/332005590.db2.gz RGBDRLKHKWMPPX-ZBFHGGJFSA-N 0 1 293.480 3.618 20 0 CHADMN CC(C)[C@@H]1C[C@H](NCc2nc(C3CC3)cs2)CS1 ZINC000488414106 332005633 /nfs/dbraw/zinc/00/56/33/332005633.db2.gz GRIXNSHOKGDBAE-AAEUAGOBSA-N 0 1 282.478 3.640 20 0 CHADMN CC(C)C1CC(NCc2cc(-c3ccccc3)on2)C1 ZINC000488445184 332009489 /nfs/dbraw/zinc/00/94/89/332009489.db2.gz QSPAHUCMFHDWJZ-UHFFFAOYSA-N 0 1 270.376 3.866 20 0 CHADMN C[C@@H](c1cccnc1)N(C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488586982 332019286 /nfs/dbraw/zinc/01/92/86/332019286.db2.gz XGBFARSNKLHFAP-LBPRGKRZSA-N 0 1 283.350 3.895 20 0 CHADMN CCN(C[C@@H]1CCCO1)[C@@H](C)c1ccccc1Cl ZINC000488639377 332020546 /nfs/dbraw/zinc/02/05/46/332020546.db2.gz FVVUPNUGKOJMON-STQMWFEESA-N 0 1 267.800 3.902 20 0 CHADMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cc2ccccc2o1 ZINC000488899763 332032748 /nfs/dbraw/zinc/03/27/48/332032748.db2.gz LZBZIVFDWXHRNI-UHFFFAOYSA-N 0 1 295.273 3.701 20 0 CHADMN Cc1scc(C(=O)Nc2nc3ccc(F)cc3[nH]2)c1C ZINC000488948056 332034769 /nfs/dbraw/zinc/03/47/69/332034769.db2.gz RYLHMBMVDUQECO-UHFFFAOYSA-N 0 1 289.335 3.633 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(C)(C)CC(C)C)n[nH]1 ZINC000489218379 332043665 /nfs/dbraw/zinc/04/36/65/332043665.db2.gz OBGBWBZNZICRRF-RYUDHWBXSA-N 0 1 294.443 3.568 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(C)(C)CC(C)C)n[nH]1 ZINC000489218378 332043682 /nfs/dbraw/zinc/04/36/82/332043682.db2.gz OBGBWBZNZICRRF-NWDGAFQWSA-N 0 1 294.443 3.568 20 0 CHADMN Cc1cc([C@H]2C[N@@H+](CC3CCCC3)CCO2)ccc1F ZINC000491216799 332167609 /nfs/dbraw/zinc/16/76/09/332167609.db2.gz BUFJMJRRNOYSGG-QGZVFWFLSA-N 0 1 277.383 3.698 20 0 CHADMN Cc1cc([C@H]2CN(CC3CCCC3)CCO2)ccc1F ZINC000491216799 332167611 /nfs/dbraw/zinc/16/76/11/332167611.db2.gz BUFJMJRRNOYSGG-QGZVFWFLSA-N 0 1 277.383 3.698 20 0 CHADMN CC=CC=CC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000491291385 332182783 /nfs/dbraw/zinc/18/27/83/332182783.db2.gz PCHDWUQXFBXZIL-QOIBJDSYSA-N 0 1 295.386 3.667 20 0 CHADMN C[C@H](NCc1ccc2c(c1)CCCC2)c1ccncc1F ZINC000491361507 332196992 /nfs/dbraw/zinc/19/69/92/332196992.db2.gz PYEMURPYUXYWPC-ZDUSSCGKSA-N 0 1 284.378 3.950 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)CCCC2)c1ccncc1F ZINC000491361506 332197077 /nfs/dbraw/zinc/19/70/77/332197077.db2.gz PYEMURPYUXYWPC-CYBMUJFWSA-N 0 1 284.378 3.950 20 0 CHADMN CC[C@H](NCc1ccc(C)c(F)c1)c1ccc(F)cn1 ZINC000491420251 332208555 /nfs/dbraw/zinc/20/85/55/332208555.db2.gz BMBIFDSBGGKZTE-HNNXBMFYSA-N 0 1 276.330 3.909 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1ccc2ccccc2n1 ZINC000172108722 335095298 /nfs/dbraw/zinc/09/52/98/335095298.db2.gz RGUHYDANTAFMJA-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN O=C(CCc1ccccc1)Nc1cccc(Cl)c1O ZINC000172111503 335095317 /nfs/dbraw/zinc/09/53/17/335095317.db2.gz KDUDOMHUPYCGAZ-UHFFFAOYSA-N 0 1 275.735 3.617 20 0 CHADMN COC[C@@H](NCc1ccc(F)cc1C)c1ccccc1 ZINC000172123444 335095549 /nfs/dbraw/zinc/09/55/49/335095549.db2.gz OHGDUHLUUKPCTP-QGZVFWFLSA-N 0 1 273.351 3.611 20 0 CHADMN CCCc1csc(-c2nc3ccc(F)cc3[nH]2)n1 ZINC000491534166 332231227 /nfs/dbraw/zinc/23/12/27/332231227.db2.gz UXQSJNKRIPHXHW-UHFFFAOYSA-N 0 1 261.325 3.778 20 0 CHADMN CCc1ccc(CN(C)Cc2scnc2C)cc1 ZINC000172248355 335098719 /nfs/dbraw/zinc/09/87/19/335098719.db2.gz OHEDHTLKMIIJGB-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN CC(C)(C)[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000172302190 335100311 /nfs/dbraw/zinc/10/03/11/335100311.db2.gz PDYGLDIXIAUCFJ-ZDUSSCGKSA-N 0 1 289.423 3.576 20 0 CHADMN O=C(Cc1cccc(Cl)c1)Nc1cccc(Cl)c1O ZINC000172357016 335102529 /nfs/dbraw/zinc/10/25/29/335102529.db2.gz UTVJXNBRVQIDFL-UHFFFAOYSA-N 0 1 296.153 3.880 20 0 CHADMN CCOc1ccc2nc(SCCCCCOC)[nH]c2c1 ZINC000491824845 332371082 /nfs/dbraw/zinc/37/10/82/332371082.db2.gz OECQAALKUAMZJA-UHFFFAOYSA-N 0 1 294.420 3.870 20 0 CHADMN CCc1nc(C)c(CNCc2cc3c(cc(C)cc3C)[nH]2)o1 ZINC000494288052 332469500 /nfs/dbraw/zinc/46/95/00/332469500.db2.gz OMRQPVXMIUFRJN-UHFFFAOYSA-N 0 1 297.402 3.933 20 0 CHADMN Cc1cc(C)cc(CNC2(C(=O)Nc3ccccc3)CC2)c1 ZINC000495170897 332510476 /nfs/dbraw/zinc/51/04/76/332510476.db2.gz DGXCBXHICREZMO-UHFFFAOYSA-N 0 1 294.398 3.564 20 0 CHADMN Cc1nccc(N2CCOC3(C2)CCCCCC3)c1Cl ZINC000499146342 332580729 /nfs/dbraw/zinc/58/07/29/332580729.db2.gz LBNAPZKEEQUUFO-UHFFFAOYSA-N 0 1 294.826 3.973 20 0 CHADMN CC[C@@H]1CCC[C@H](N[C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000248823057 334318414 /nfs/dbraw/zinc/31/84/14/334318414.db2.gz GBTKQNHQTAKCEI-UPJWGTAASA-N 0 1 279.428 3.987 20 0 CHADMN CC[C@H]1C[C@]1(NCc1cnc(C)cn1)c1cccc(C)c1 ZINC000500532881 332612507 /nfs/dbraw/zinc/61/25/07/332612507.db2.gz LWNVJUVICXDRHL-MAUKXSAKSA-N 0 1 281.403 3.508 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](c2ccc(F)cc2)C(C)C)nn1C ZINC000502684763 332668409 /nfs/dbraw/zinc/66/84/09/332668409.db2.gz NKNKPTZAFUZXIX-SUMWQHHRSA-N 0 1 289.398 3.916 20 0 CHADMN CCS[C@@H]1CCC[C@H]1NCc1ncc(C(C)(C)C)o1 ZINC000503447735 332689927 /nfs/dbraw/zinc/68/99/27/332689927.db2.gz RXSLHZRMQSDTQS-VXGBXAGGSA-N 0 1 282.453 3.736 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1nc2cc(Cl)ccc2n1C ZINC000505309093 332736575 /nfs/dbraw/zinc/73/65/75/332736575.db2.gz YHZGQZLVOJFXIB-VXGBXAGGSA-N 0 1 291.826 3.990 20 0 CHADMN CCN(CC)[C@@H](C(=O)N[C@@H](C)CC(C)C)c1ccccc1 ZINC000505865779 332755750 /nfs/dbraw/zinc/75/57/50/332755750.db2.gz GTEXAHWSGKQJJE-DOTOQJQBSA-N 0 1 290.451 3.620 20 0 CHADMN COc1ccc(CN[C@@H]2C=CCCC2)c(Br)c1 ZINC000512010732 332950260 /nfs/dbraw/zinc/95/02/60/332950260.db2.gz WWYZPDFNKNMHDF-GFCCVEGCSA-N 0 1 296.208 3.656 20 0 CHADMN COc1cccc(Cl)c1CNCC1(C(F)(F)F)CC1 ZINC000512903594 332993071 /nfs/dbraw/zinc/99/30/71/332993071.db2.gz BZYPKECLALZYNJ-UHFFFAOYSA-N 0 1 293.716 3.781 20 0 CHADMN COc1ccc(C)cc1CN[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000513017786 332999095 /nfs/dbraw/zinc/99/90/95/332999095.db2.gz SUUJWLBKIVNZAR-ZDUSSCGKSA-N 0 1 295.386 3.731 20 0 CHADMN CC[C@H](C)[C@](C)(O)CN[C@H](c1ccccc1)c1ccccn1 ZINC000305809791 332999948 /nfs/dbraw/zinc/99/99/48/332999948.db2.gz HOTFMVJQQLCPFH-KFKAGJAMSA-N 0 1 298.430 3.558 20 0 CHADMN COc1c(C)cc(CN(C)Cc2occc2C)cc1C ZINC000513074483 333002925 /nfs/dbraw/zinc/00/29/25/333002925.db2.gz HHSSCMJJDWHKPT-UHFFFAOYSA-N 0 1 273.376 3.845 20 0 CHADMN CO[C@H](C)CN(C)Cc1cc(Cl)ccc1OCC1CC1 ZINC000513334164 333014592 /nfs/dbraw/zinc/01/45/92/333014592.db2.gz UXLAVWNCPZOWBI-GFCCVEGCSA-N 0 1 297.826 3.596 20 0 CHADMN Fc1ccc(F)c2c1CC[C@H]2NCCOC1CCCC1 ZINC000513342848 333015081 /nfs/dbraw/zinc/01/50/81/333015081.db2.gz KEKJXGYRDZEBRM-OAHLLOKOSA-N 0 1 281.346 3.501 20 0 CHADMN CCc1ccc([C@H]2CCCN(Cc3nccn3CC)C2)cc1 ZINC000513368083 333015523 /nfs/dbraw/zinc/01/55/23/333015523.db2.gz TZZCHOFAYPFOON-SFHVURJKSA-N 0 1 297.446 3.845 20 0 CHADMN CCc1ccc([C@H]2CCCN(Cc3ncc(C)o3)C2)cc1 ZINC000513411075 333017967 /nfs/dbraw/zinc/01/79/67/333017967.db2.gz JJSIGAPFCUDXCI-KRWDZBQOSA-N 0 1 284.403 3.925 20 0 CHADMN c1cc(CN(Cc2ccccc2)C[C@@H]2CC=CCC2)n[nH]1 ZINC000513421709 333018511 /nfs/dbraw/zinc/01/85/11/333018511.db2.gz YKYQXHRGIQAABA-QGZVFWFLSA-N 0 1 281.403 3.768 20 0 CHADMN CCCN(Cc1cc(F)ccc1F)C[C@H]1CCCCO1 ZINC000513450306 333020257 /nfs/dbraw/zinc/02/02/57/333020257.db2.gz IYNAKARQWZGJPH-OAHLLOKOSA-N 0 1 283.362 3.746 20 0 CHADMN Cc1ccn2c(CN3CCc4ccccc4[C@H]3C)cnc2c1 ZINC000513678663 333031879 /nfs/dbraw/zinc/03/18/79/333031879.db2.gz QUIDTMUPLRCCLL-OAHLLOKOSA-N 0 1 291.398 3.762 20 0 CHADMN CCc1ccc(-c2ccc(CN(C)[C@H]3CCOC3)o2)cc1 ZINC000513741115 333036976 /nfs/dbraw/zinc/03/69/76/333036976.db2.gz GANVGKIUMUXSBV-INIZCTEOSA-N 0 1 285.387 3.730 20 0 CHADMN COc1cc(C)ccc1CN[C@@H]1CCc2c1cccc2F ZINC000513865696 333044523 /nfs/dbraw/zinc/04/45/23/333044523.db2.gz JBKYWMQIFNTSAM-QGZVFWFLSA-N 0 1 285.362 3.920 20 0 CHADMN CCCN(Cc1nc(C(F)(F)F)cs1)C(C)C ZINC000575811771 335118050 /nfs/dbraw/zinc/11/80/50/335118050.db2.gz BFVVHFFTWXHPDM-UHFFFAOYSA-N 0 1 266.332 3.782 20 0 CHADMN CO[C@H](C[N@H+]1C[C@H](C)OC(C)(C)C1)c1ccc(Cl)cc1 ZINC000513903611 333049710 /nfs/dbraw/zinc/04/97/10/333049710.db2.gz IJRPYSDINUDEPU-SWLSCSKDSA-N 0 1 297.826 3.527 20 0 CHADMN CO[C@H](CN1C[C@H](C)OC(C)(C)C1)c1ccc(Cl)cc1 ZINC000513903611 333049712 /nfs/dbraw/zinc/04/97/12/333049712.db2.gz IJRPYSDINUDEPU-SWLSCSKDSA-N 0 1 297.826 3.527 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1[C@@H](C)CC[C@@H]1C ZINC000177099096 333053439 /nfs/dbraw/zinc/05/34/39/333053439.db2.gz OKZVZZOPWYADDY-STQMWFEESA-N 0 1 275.392 3.661 20 0 CHADMN FC1(F)CCC[C@@H](C[N@H+]2CCO[C@@H](c3ccccc3)C2)C1 ZINC000513967702 333055962 /nfs/dbraw/zinc/05/59/62/333055962.db2.gz OPSOSBRWURGIME-GDBMZVCRSA-N 0 1 295.373 3.885 20 0 CHADMN FC1(F)CCC[C@@H](CN2CCO[C@@H](c3ccccc3)C2)C1 ZINC000513967702 333055963 /nfs/dbraw/zinc/05/59/63/333055963.db2.gz OPSOSBRWURGIME-GDBMZVCRSA-N 0 1 295.373 3.885 20 0 CHADMN CC[C@H](Sc1c[nH]nn1)c1ccc(Cl)cc1 ZINC000177379968 333058250 /nfs/dbraw/zinc/05/82/50/333058250.db2.gz UODPUXWIFVFFEX-JTQLQIEISA-N 0 1 253.758 3.702 20 0 CHADMN CC(C)C[C@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000177388663 333058256 /nfs/dbraw/zinc/05/82/56/333058256.db2.gz QOOGCYBBDFNZRA-OAHLLOKOSA-N 0 1 299.418 3.995 20 0 CHADMN CC[N@@H+](CCSc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000514004646 333059129 /nfs/dbraw/zinc/05/91/29/333059129.db2.gz PCMKSMANBBZBSK-AWEZNQCLSA-N 0 1 299.867 3.933 20 0 CHADMN CCCc1ccc(C[N@@H+](CC)C[C@H]2CCCO2)cc1 ZINC000514004054 333059206 /nfs/dbraw/zinc/05/92/06/333059206.db2.gz ZSUIHKSEJABBJK-QGZVFWFLSA-N 0 1 261.409 3.640 20 0 CHADMN Fc1ccc(CCN2CCc3sccc3C2)cc1F ZINC000177947961 333066054 /nfs/dbraw/zinc/06/60/54/333066054.db2.gz GKRBWRLZYIZQDB-UHFFFAOYSA-N 0 1 279.355 3.627 20 0 CHADMN CC[N@@H+](C[C@@H](C)OC)[C@H](C)c1ccccc1Cl ZINC000517052372 333091075 /nfs/dbraw/zinc/09/10/75/333091075.db2.gz WPESOPIZTGAQLJ-VXGBXAGGSA-N 0 1 255.789 3.758 20 0 CHADMN Cc1ccoc1CN[C@@H](C)c1ccc2c(c1)CCC2 ZINC000311798716 333072667 /nfs/dbraw/zinc/07/26/67/333072667.db2.gz KEPWNDGFXRIQCX-ZDUSSCGKSA-N 0 1 255.361 3.928 20 0 CHADMN C[C@@H](c1cc(Cl)ccc1Cl)N1CC[C@@](C)(O)C1 ZINC000178728274 333076974 /nfs/dbraw/zinc/07/69/74/333076974.db2.gz ISRFBWBMXBKSOQ-TVQRCGJNSA-N 0 1 274.191 3.511 20 0 CHADMN CCOc1ccccc1C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000575824391 335119588 /nfs/dbraw/zinc/11/95/88/335119588.db2.gz TVCJOQQQGCFBGY-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN CC(C)N(CCc1nccs1)Cc1cc(F)ccc1F ZINC000179052794 333079433 /nfs/dbraw/zinc/07/94/33/333079433.db2.gz YPDLNMBQFHUTEE-UHFFFAOYSA-N 0 1 296.386 3.874 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000516777994 333082395 /nfs/dbraw/zinc/08/23/95/333082395.db2.gz ZURZGZJLLXTNGP-MEDUHNTESA-N 0 1 293.432 3.767 20 0 CHADMN CCO[C@H]1C[C@@H](N[C@@H](C)c2nccs2)C12CCCCC2 ZINC000087301567 333082551 /nfs/dbraw/zinc/08/25/51/333082551.db2.gz HTAMXLBOXYJZQP-MJBXVCDLSA-N 0 1 294.464 3.922 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000516872834 333084820 /nfs/dbraw/zinc/08/48/20/333084820.db2.gz QSNJBRAPTKFPAV-PWSUYJOCSA-N 0 1 291.372 3.937 20 0 CHADMN Cc1ccc(CN[C@H]2c3ccccc3O[C@H]2C)c(C)c1 ZINC000516890197 333085381 /nfs/dbraw/zinc/08/53/81/333085381.db2.gz SRDPEIHVWWLEPE-KBXCAEBGSA-N 0 1 267.372 3.915 20 0 CHADMN COc1cc(F)c(CN[C@H](C)c2ccccc2)cc1OC ZINC000517156713 333093504 /nfs/dbraw/zinc/09/35/04/333093504.db2.gz CXTINACKAWKGPI-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2cscc2Br)C1 ZINC000517262595 333096087 /nfs/dbraw/zinc/09/60/87/333096087.db2.gz XKAQVNPFGXMDIK-IUCAKERBSA-N 0 1 274.227 3.741 20 0 CHADMN CC1CCC([N@@H+](Cc2cc(C(=O)[O-])co2)C2CC2)CC1 ZINC000517382313 333098332 /nfs/dbraw/zinc/09/83/32/333098332.db2.gz VTJFFXLLXBCDRR-UHFFFAOYSA-N 0 1 277.364 3.521 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2cccc3ccoc32)n[nH]1 ZINC000517680232 333105733 /nfs/dbraw/zinc/10/57/33/333105733.db2.gz WLDHHJLJDGTDAZ-VXGBXAGGSA-N 0 1 298.390 3.915 20 0 CHADMN COc1ccc(CNCc2cccc(C3CC3)c2)c(OC)c1 ZINC000336854042 335121552 /nfs/dbraw/zinc/12/15/52/335121552.db2.gz LNRVJTRTKAPEJW-UHFFFAOYSA-N 0 1 297.398 3.871 20 0 CHADMN CCCC[N@@H+](CC)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000521258295 333116456 /nfs/dbraw/zinc/11/64/56/333116456.db2.gz XZEBBQLBBYJSOR-UHFFFAOYSA-N 0 1 299.798 3.539 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cncc(C)c1)c1c(C)noc1C ZINC000184422846 333128468 /nfs/dbraw/zinc/12/84/68/333128468.db2.gz QBDTVOVUYIPESO-XHDPSFHLSA-N 0 1 273.380 3.797 20 0 CHADMN CCCCN(CCO)Cc1cccc(Cl)c1Cl ZINC000218317535 333131197 /nfs/dbraw/zinc/13/11/97/333131197.db2.gz FHDQPIVBNSUPGQ-UHFFFAOYSA-N 0 1 276.207 3.588 20 0 CHADMN CCCC[C@@H]1CCC[C@@H]1N[C@@H](C)c1nc(C2CC2)no1 ZINC000184702239 333131531 /nfs/dbraw/zinc/13/15/31/333131531.db2.gz MRQBPEPLWHORGK-SCRDCRAPSA-N 0 1 277.412 3.957 20 0 CHADMN COCCCCC[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185307623 333138380 /nfs/dbraw/zinc/13/83/80/333138380.db2.gz AVZZQAMFTWBUMR-ZDUSSCGKSA-N 0 1 283.362 3.571 20 0 CHADMN CC[C@@H]1[C@@H](C)CCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000185457679 333140952 /nfs/dbraw/zinc/14/09/52/333140952.db2.gz VIKNKKIOXCIOPR-BLLLJJGKSA-N 0 1 289.423 3.718 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000219086541 333141342 /nfs/dbraw/zinc/14/13/42/333141342.db2.gz SYVVBVFILMDEGS-CZUORRHYSA-N 0 1 287.382 3.972 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2nccnc2C)c(C)c1 ZINC000219102999 333141629 /nfs/dbraw/zinc/14/16/29/333141629.db2.gz UAYOTYTYHREWTM-HIFRSBDPSA-N 0 1 269.392 3.814 20 0 CHADMN Oc1cc(F)cc(CN[C@H]2CCc3c2cccc3Cl)c1 ZINC000185496668 333142112 /nfs/dbraw/zinc/14/21/12/333142112.db2.gz WDKZKFAXPGGIRC-INIZCTEOSA-N 0 1 291.753 3.962 20 0 CHADMN CN(Cc1nccs1)CC1CCC(C(F)(F)F)CC1 ZINC000185515786 333142486 /nfs/dbraw/zinc/14/24/86/333142486.db2.gz CAQVDCBRZCSJMW-UHFFFAOYSA-N 0 1 292.370 3.944 20 0 CHADMN CC(C)COCCCN[C@@H](C)c1csc(C(C)C)n1 ZINC000186216616 333156786 /nfs/dbraw/zinc/15/67/86/333156786.db2.gz KVWXYCGSYBRSPR-ZDUSSCGKSA-N 0 1 284.469 3.980 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@@H]2N[C@H](CCO)c1ccco1 ZINC000186291619 333158138 /nfs/dbraw/zinc/15/81/38/333158138.db2.gz NZFWYFUNTAXBBU-SJORKVTESA-N 0 1 299.414 3.987 20 0 CHADMN CC(C)c1nc([C@H](C)NCCc2cscn2)cs1 ZINC000186390647 333160039 /nfs/dbraw/zinc/16/00/39/333160039.db2.gz NKKVRMAZWMTKSG-JTQLQIEISA-N 0 1 281.450 3.616 20 0 CHADMN CCC[C@@H](C)CNCc1cc(COC(C)(C)C)on1 ZINC000186420494 333160526 /nfs/dbraw/zinc/16/05/26/333160526.db2.gz RGJIXJITWBOADW-GFCCVEGCSA-N 0 1 268.401 3.516 20 0 CHADMN CC1(C)C[C@@H](N[C@H](CCO)c2ccco2)c2ccccc21 ZINC000186521065 333162171 /nfs/dbraw/zinc/16/21/71/333162171.db2.gz HVULNEDWNXRBBV-HZPDHXFCSA-N 0 1 285.387 3.715 20 0 CHADMN CC1(C)C[C@@H](N[C@@H](CCO)c2ccco2)c2ccccc21 ZINC000186521024 333162173 /nfs/dbraw/zinc/16/21/73/333162173.db2.gz HVULNEDWNXRBBV-JKSUJKDBSA-N 0 1 285.387 3.715 20 0 CHADMN CC[C@H](CN(CC)Cc1cc(C)on1)c1ccccc1 ZINC000186598921 333163532 /nfs/dbraw/zinc/16/35/32/333163532.db2.gz LOYBESAVFVPOQU-OAHLLOKOSA-N 0 1 272.392 3.999 20 0 CHADMN Cc1ncsc1CC[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC000186735100 333164736 /nfs/dbraw/zinc/16/47/36/333164736.db2.gz JWVUEMMULJNZIT-UHFFFAOYSA-N 0 1 286.444 3.669 20 0 CHADMN C[C@H](c1nnc(-c2ccccc2)o1)N1CCCC2(CC2)C1 ZINC000186957836 333166721 /nfs/dbraw/zinc/16/67/21/333166721.db2.gz PJDBYCOBFTUXTB-CYBMUJFWSA-N 0 1 283.375 3.674 20 0 CHADMN COc1ccc(F)cc1CN[C@H]1CCc2ccc(F)cc21 ZINC000187452405 333171033 /nfs/dbraw/zinc/17/10/33/333171033.db2.gz SSPVTFWIQAOBPB-INIZCTEOSA-N 0 1 289.325 3.751 20 0 CHADMN COc1ccc(F)cc1CN[C@H]1c2ccccc2C[C@@H]1C ZINC000187597257 333172822 /nfs/dbraw/zinc/17/28/22/333172822.db2.gz MCEHHMUEKUNAPP-KPZWWZAWSA-N 0 1 285.362 3.857 20 0 CHADMN Oc1cccc(CN2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000187592963 333172870 /nfs/dbraw/zinc/17/28/70/333172870.db2.gz ZRFHWKUPYQAGPE-ZDUSSCGKSA-N 0 1 289.325 3.660 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@@H]1CSC1(C)C ZINC000521582393 333179208 /nfs/dbraw/zinc/17/92/08/333179208.db2.gz LNJHWCWXAJYRBK-CQSZACIVSA-N 0 1 292.379 3.688 20 0 CHADMN Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000521873557 333194864 /nfs/dbraw/zinc/19/48/64/333194864.db2.gz BXANTRNSYHOINI-KCXAZCMYSA-N 0 1 289.419 3.715 20 0 CHADMN CCSc1cc(CNCc2sc(C)nc2C)ccn1 ZINC000189591353 333195754 /nfs/dbraw/zinc/19/57/54/333195754.db2.gz PRZCXLQCVBECMN-UHFFFAOYSA-N 0 1 293.461 3.557 20 0 CHADMN Cc1cc(NCc2cccc(CO)c2)c2cc(F)ccc2n1 ZINC000189826824 333199365 /nfs/dbraw/zinc/19/93/65/333199365.db2.gz FAUCEWJMNMTBJB-UHFFFAOYSA-N 0 1 296.345 3.787 20 0 CHADMN CCC1(CC)CCCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000190974309 333212756 /nfs/dbraw/zinc/21/27/56/333212756.db2.gz YOVMKSJUOJNPKQ-UHFFFAOYSA-N 0 1 289.423 3.720 20 0 CHADMN C[C@H](CC1CC1)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000191578174 333221773 /nfs/dbraw/zinc/22/17/73/333221773.db2.gz YMYLSKQJRVKAQS-NEPJUHHUSA-N 0 1 277.412 3.957 20 0 CHADMN CC(C)=CCNCc1ncc(-c2ccccc2)s1 ZINC000191625284 333222541 /nfs/dbraw/zinc/22/25/41/333222541.db2.gz BXHUABXKMOGTPU-UHFFFAOYSA-N 0 1 258.390 3.866 20 0 CHADMN CCCCN(C(=O)c1cc(C(C)C)[nH]n1)[C@H](C)CC ZINC000521926943 333223857 /nfs/dbraw/zinc/22/38/57/333223857.db2.gz MKDHEFWNAMNBNC-GFCCVEGCSA-N 0 1 265.401 3.574 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]([C@H](C)[C@@H](C)CC)C1CC1 ZINC000522007783 333230004 /nfs/dbraw/zinc/23/00/04/333230004.db2.gz KTXQARHNZSDPGD-NWDGAFQWSA-N 0 1 293.407 3.939 20 0 CHADMN c1ccc([C@@H]2CCCN2Cc2nc3ccccc3[nH]2)cc1 ZINC000192805130 333239546 /nfs/dbraw/zinc/23/95/46/333239546.db2.gz BZEVTOKDRXCJJC-KRWDZBQOSA-N 0 1 277.371 3.900 20 0 CHADMN C[C@@H](NCc1cc(Cl)cs1)C(=O)Nc1ccccc1 ZINC000193100019 333242473 /nfs/dbraw/zinc/24/24/73/333242473.db2.gz HPLWCWKVIWVBHM-SNVBAGLBSA-N 0 1 294.807 3.518 20 0 CHADMN C[C@H](N[C@@H]1COCc2ccccc21)c1cccc(F)c1 ZINC000225981023 333244062 /nfs/dbraw/zinc/24/40/62/333244062.db2.gz DAFSDUOYCBVISU-YVEFUNNKSA-N 0 1 271.335 3.748 20 0 CHADMN CCCCCN(Cc1nnc(C)n1CC)[C@H](C)CCC ZINC000195111893 333245673 /nfs/dbraw/zinc/24/56/73/333245673.db2.gz XIQWUNRDOAWAMJ-CQSZACIVSA-N 0 1 280.460 3.787 20 0 CHADMN CCN(CC(=O)Nc1cccc(Cl)c1Cl)C(C)C ZINC000195527306 333254859 /nfs/dbraw/zinc/25/48/59/333254859.db2.gz RROYDOLTHHSJPX-UHFFFAOYSA-N 0 1 289.206 3.662 20 0 CHADMN CC(C)c1nc([C@@H](C)NCCCOC(F)F)cs1 ZINC000194039079 333264208 /nfs/dbraw/zinc/26/42/08/333264208.db2.gz HTVGRTKIMOAKBS-SECBINFHSA-N 0 1 278.368 3.546 20 0 CHADMN CCCn1cc(CNCc2ccc(C(F)(F)F)cc2)cn1 ZINC000227282548 333279211 /nfs/dbraw/zinc/27/92/11/333279211.db2.gz QXGUIJJJBUSYGZ-UHFFFAOYSA-N 0 1 297.324 3.602 20 0 CHADMN Cc1ccc(F)c(CNCc2ccc(F)c(F)c2)c1 ZINC000227285503 333279662 /nfs/dbraw/zinc/27/96/62/333279662.db2.gz JRZCMVWMHYRBLA-UHFFFAOYSA-N 0 1 265.278 3.702 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000227826328 333288939 /nfs/dbraw/zinc/28/89/39/333288939.db2.gz MZJSYVKUZDQOCD-GUYCJALGSA-N 0 1 275.392 3.668 20 0 CHADMN C[C@H]1SCCN(CCOc2ccccc2Cl)[C@@H]1C ZINC000522835378 333296528 /nfs/dbraw/zinc/29/65/28/333296528.db2.gz XRDWQASGPGXYTL-VXGBXAGGSA-N 0 1 285.840 3.545 20 0 CHADMN CCc1ccc(CNCc2ccc(OC)cc2F)cc1 ZINC000229742368 333308964 /nfs/dbraw/zinc/30/89/64/333308964.db2.gz JFFPUSWFICAJMM-UHFFFAOYSA-N 0 1 273.351 3.687 20 0 CHADMN CC(C)c1ccc(CNCc2cncc(F)c2)cc1 ZINC000230939555 333322865 /nfs/dbraw/zinc/32/28/65/333322865.db2.gz CFHMPSAMDGQWOD-UHFFFAOYSA-N 0 1 258.340 3.634 20 0 CHADMN C[C@@H](C(=O)OC(C)(C)C)N(C)CCC1CCCCC1 ZINC000523441156 333327188 /nfs/dbraw/zinc/32/71/88/333327188.db2.gz DIEHNYKDEVHQEJ-ZDUSSCGKSA-N 0 1 269.429 3.619 20 0 CHADMN Cc1ccccc1[C@H]1CCN([C@H](C)C(=O)OC(C)(C)C)C1 ZINC000523441312 333327204 /nfs/dbraw/zinc/32/72/04/333327204.db2.gz LKMSJESOUBPWHI-CABCVRRESA-N 0 1 289.419 3.515 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)CC(F)(F)F)c(F)c1 ZINC000231791258 333329736 /nfs/dbraw/zinc/32/97/36/333329736.db2.gz WGLKTQABXNHUBR-DTWKUNHWSA-N 0 1 279.277 3.826 20 0 CHADMN CC(C)=CCNCc1cc(F)ccc1Br ZINC000232614440 333339352 /nfs/dbraw/zinc/33/93/52/333339352.db2.gz LZCIQJWCRVAOKB-UHFFFAOYSA-N 0 1 272.161 3.644 20 0 CHADMN CN(Cc1nc(-c2ccc(Cl)cc2)no1)CC(C)(C)C ZINC000524027043 333352201 /nfs/dbraw/zinc/35/22/01/333352201.db2.gz ZGZSFRWSLUBYJL-UHFFFAOYSA-N 0 1 293.798 3.868 20 0 CHADMN Cc1cccc(-c2noc(CN(C)CC(C)(C)C)n2)c1 ZINC000524276931 333358832 /nfs/dbraw/zinc/35/88/32/333358832.db2.gz UONSWZQJKSYCBU-UHFFFAOYSA-N 0 1 273.380 3.523 20 0 CHADMN C[C@H](C(=O)OC(C)(C)C)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000524595406 333367930 /nfs/dbraw/zinc/36/79/30/333367930.db2.gz JXNLMHMEDZOPMT-FMKPAKJESA-N 0 1 289.419 3.595 20 0 CHADMN C[C@H]1OCC[C@@]1(C)NCc1c(Cl)cccc1Cl ZINC000235605371 333371180 /nfs/dbraw/zinc/37/11/80/333371180.db2.gz YGHKVFLRDNRUAT-NOZJJQNGSA-N 0 1 274.191 3.651 20 0 CHADMN CC(C)COc1ccccc1CNCc1ccc(O)cc1 ZINC000236654446 333374460 /nfs/dbraw/zinc/37/44/60/333374460.db2.gz MFSPCPZGJUCTGS-UHFFFAOYSA-N 0 1 285.387 3.717 20 0 CHADMN CC[C@H](C)[N@@H+](CCSc1ccc(C)c(C)c1)CC(=O)[O-] ZINC000236970967 333376869 /nfs/dbraw/zinc/37/68/69/333376869.db2.gz BBRVLRCWTNHQJT-AWEZNQCLSA-N 0 1 295.448 3.581 20 0 CHADMN Cc1cccc(C)c1CN1CCOC[C@@H]1c1ccccc1 ZINC000524752741 333386263 /nfs/dbraw/zinc/38/62/63/333386263.db2.gz LTDIIDGRAAYESK-LJQANCHMSA-N 0 1 281.399 3.877 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1coc2ccccc12 ZINC000316331349 333388186 /nfs/dbraw/zinc/38/81/86/333388186.db2.gz OJXQMGJCXBSGIO-RCBQFDQVSA-N 0 1 299.370 3.651 20 0 CHADMN C/C(Cl)=C/CN[C@H](C)c1ccc(Br)cn1 ZINC000528491466 333441442 /nfs/dbraw/zinc/44/14/42/333441442.db2.gz XEIPJPREORDKQR-BZJXQOFCSA-N 0 1 289.604 3.637 20 0 CHADMN C[C@@H]1CSC[C@@H]1N[C@H](c1ccccc1)c1ccccn1 ZINC000397820483 333429348 /nfs/dbraw/zinc/42/93/48/333429348.db2.gz UGYWUFRTVKQACT-XOKHGSTOSA-N 0 1 284.428 3.512 20 0 CHADMN CC(C)C1CCN(Cc2ncccc2Cl)CC1 ZINC000528390842 333433479 /nfs/dbraw/zinc/43/34/79/333433479.db2.gz PKZHJTJWOKNHCN-UHFFFAOYSA-N 0 1 252.789 3.603 20 0 CHADMN Clc1cccnc1CN1CCC(C2CCC2)CC1 ZINC000528545859 333445687 /nfs/dbraw/zinc/44/56/87/333445687.db2.gz HZGZNMMTIVPGQP-UHFFFAOYSA-N 0 1 264.800 3.747 20 0 CHADMN C[C@@H](NCC1CCCCC1)c1nc(Cc2ccccc2)no1 ZINC000173795099 335141008 /nfs/dbraw/zinc/14/10/08/335141008.db2.gz MFZKPOSSNBLDEN-CQSZACIVSA-N 0 1 299.418 3.891 20 0 CHADMN CC[C@H](NCc1conc1C)c1ccc(Cl)cc1 ZINC000339189495 335142401 /nfs/dbraw/zinc/14/24/01/335142401.db2.gz UUXLLPBCDPUQSV-AWEZNQCLSA-N 0 1 264.756 3.877 20 0 CHADMN CC[C@@H](O)CCN[C@@H](C)c1cc(Cl)sc1Cl ZINC000123397350 333501336 /nfs/dbraw/zinc/50/13/36/333501336.db2.gz MWWHLIMVFVTGJQ-JGVFFNPUSA-N 0 1 282.236 3.867 20 0 CHADMN CC(C)Oc1cccc(CN2CC(Cc3ccco3)C2)c1 ZINC000529649977 333503854 /nfs/dbraw/zinc/50/38/54/333503854.db2.gz UQSJCDLIDZWYKN-UHFFFAOYSA-N 0 1 285.387 3.741 20 0 CHADMN Fc1ccc(F)c(CNCc2ccc(OC(F)F)cc2)c1 ZINC000037233248 333520370 /nfs/dbraw/zinc/52/03/70/333520370.db2.gz MBUKRUFKBZVEPS-UHFFFAOYSA-N 0 1 299.267 3.856 20 0 CHADMN CC(C)(CCNC(=O)c1ccc(O)c(Cl)c1)C1CC1 ZINC000328569167 333535129 /nfs/dbraw/zinc/53/51/29/333535129.db2.gz QEROBCJNLWOLQZ-UHFFFAOYSA-N 0 1 281.783 3.602 20 0 CHADMN CCCN(CCC)C(=O)c1cccc(C(F)(F)F)c1O ZINC000576050938 335146294 /nfs/dbraw/zinc/14/62/94/335146294.db2.gz WXWUVZJKKGFXRO-UHFFFAOYSA-N 0 1 289.297 3.673 20 0 CHADMN O=C(c1ccc(F)cc1O)N1CCCC2(CCCCC2)C1 ZINC000123774568 333552742 /nfs/dbraw/zinc/55/27/42/333552742.db2.gz MSQQXWZRWMYYCP-UHFFFAOYSA-N 0 1 291.366 3.718 20 0 CHADMN CC(C)c1noc([C@@H](C)N[C@H](C)C2CCCCC2)n1 ZINC000174140047 335148839 /nfs/dbraw/zinc/14/88/39/335148839.db2.gz OXWNZJCFJUFZCY-VXGBXAGGSA-N 0 1 265.401 3.812 20 0 CHADMN CCC(CC)CC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000125953341 333584665 /nfs/dbraw/zinc/58/46/65/333584665.db2.gz IGZWTPNWUAABSF-OAHLLOKOSA-N 0 1 294.439 3.605 20 0 CHADMN Cc1cccc(CCN[C@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000126494065 333598535 /nfs/dbraw/zinc/59/85/35/333598535.db2.gz FWPNBCBEGPKRQA-SFHVURJKSA-N 0 1 291.398 3.640 20 0 CHADMN Cc1cccc(CN[C@@H]2c3cccc(F)c3CC[C@H]2C)n1 ZINC000127211376 333623304 /nfs/dbraw/zinc/62/33/04/333623304.db2.gz OXLOPWBIFAONJJ-XIKOKIGWSA-N 0 1 284.378 3.942 20 0 CHADMN Cc1cccc(CN[C@H]2c3cc(F)ccc3C[C@@H]2C)n1 ZINC000127337231 333627290 /nfs/dbraw/zinc/62/72/90/333627290.db2.gz BCMJSQAUAAVFDF-APPDUMDISA-N 0 1 270.351 3.552 20 0 CHADMN Cc1ccc(CCN[C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000127937968 333638341 /nfs/dbraw/zinc/63/83/41/333638341.db2.gz UUZHUNGSMNLMEZ-GOSISDBHSA-N 0 1 291.398 3.640 20 0 CHADMN CC(C)C[C@H](N[C@@H](C)c1cnccn1)c1cccs1 ZINC000539089734 333657266 /nfs/dbraw/zinc/65/72/66/333657266.db2.gz FXEKBOXLHFDJKQ-STQMWFEESA-N 0 1 275.421 3.976 20 0 CHADMN CCC(CC)CN[C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000539395342 333669104 /nfs/dbraw/zinc/66/91/04/333669104.db2.gz NAMRLLXHEMDLMV-KRWDZBQOSA-N 0 1 289.398 3.674 20 0 CHADMN CCCCOC1CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000539821748 333693408 /nfs/dbraw/zinc/69/34/08/333693408.db2.gz KWBIOHZHECZFFK-UHFFFAOYSA-N 0 1 294.464 3.802 20 0 CHADMN COc1ccccc1[C@H](N[C@@H](C)[C@H](C)OC)c1ccccc1 ZINC000540168230 333716923 /nfs/dbraw/zinc/71/69/23/333716923.db2.gz GTYQXWJVVJQLPJ-YZVOILCLSA-N 0 1 299.414 3.798 20 0 CHADMN Cc1ccc(C)c([C@H](C)N[C@H](CO)c2cccc(F)c2)c1 ZINC000540184906 333719032 /nfs/dbraw/zinc/71/90/32/333719032.db2.gz WDOGBRORSAZICU-KBXCAEBGSA-N 0 1 287.378 3.827 20 0 CHADMN Cc1cc(CN[C@@H](c2cccc(F)c2)C(C)(C)C)on1 ZINC000540427735 333729678 /nfs/dbraw/zinc/72/96/78/333729678.db2.gz BEXZFSSHBYGLJG-HNNXBMFYSA-N 0 1 276.355 3.999 20 0 CHADMN CCC[C@@H](NCc1nc([C@@H](C)OC)no1)C1CCCCC1 ZINC000540590634 333735958 /nfs/dbraw/zinc/73/59/58/333735958.db2.gz PNOYOFCNAZDPAF-TZMCWYRMSA-N 0 1 295.427 3.616 20 0 CHADMN CC[C@@H](NCc1nc(Cc2ccccc2)no1)C(C)(C)C ZINC000540589310 333735971 /nfs/dbraw/zinc/73/59/71/333735971.db2.gz RDUAVINOSKXEOA-CQSZACIVSA-N 0 1 287.407 3.575 20 0 CHADMN Cc1nc(-c2ccc(CNCc3ccccn3)cc2)cs1 ZINC000540595380 333736815 /nfs/dbraw/zinc/73/68/15/333736815.db2.gz DWMSAUFTNXZXGO-UHFFFAOYSA-N 0 1 295.411 3.803 20 0 CHADMN CO[C@@H](c1ccccc1F)[C@@H](C)NCc1ccc(Cl)o1 ZINC000540686814 333741642 /nfs/dbraw/zinc/74/16/42/333741642.db2.gz ARLWOQTUMMNQER-MEBBXXQBSA-N 0 1 297.757 3.938 20 0 CHADMN CO[C@@H](c1ccccc1F)[C@H](C)NCc1ccc(Cl)o1 ZINC000540686815 333741763 /nfs/dbraw/zinc/74/17/63/333741763.db2.gz ARLWOQTUMMNQER-ZUZCIYMTSA-N 0 1 297.757 3.938 20 0 CHADMN CC(C)[C@H](N[C@H](C)C1CCCC1)C(=O)OC(C)(C)C ZINC000540749654 333745186 /nfs/dbraw/zinc/74/51/86/333745186.db2.gz LYKBAHYRVWWVPF-OCCSQVGLSA-N 0 1 269.429 3.521 20 0 CHADMN C[C@H](NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1 ZINC000540750937 333745201 /nfs/dbraw/zinc/74/52/01/333745201.db2.gz SBQSYGUZWSHVAK-LBPRGKRZSA-N 0 1 299.345 3.894 20 0 CHADMN Cc1c(C)c(C)c(CN[C@@H](C)c2ncc[nH]2)c(C)c1C ZINC000576129586 335158599 /nfs/dbraw/zinc/15/85/99/335158599.db2.gz FJKHOQLNNWROMH-HNNXBMFYSA-N 0 1 271.408 3.803 20 0 CHADMN COC[C@@H](NCc1csc(C2CCCC2)n1)C(C)C ZINC000541597140 333783548 /nfs/dbraw/zinc/78/35/48/333783548.db2.gz UDOZXQWGOJPCQM-CQSZACIVSA-N 0 1 282.453 3.561 20 0 CHADMN CCCCc1noc(CN[C@@H](CCCC)C2CCC2)n1 ZINC000541596743 333783620 /nfs/dbraw/zinc/78/36/20/333783620.db2.gz JCUUOJZPHUPMBT-AWEZNQCLSA-N 0 1 279.428 3.861 20 0 CHADMN Cn1ccnc1[C@H](N[C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000564251554 333805571 /nfs/dbraw/zinc/80/55/71/333805571.db2.gz ZXHWCVJZMJWCPC-JKSUJKDBSA-N 0 1 283.419 3.678 20 0 CHADMN Fc1ccccc1-c1cnc(CNC2(C3CC3)CC2)o1 ZINC000542526088 333830895 /nfs/dbraw/zinc/83/08/95/333830895.db2.gz MPTATTHICFEEBI-UHFFFAOYSA-N 0 1 272.323 3.513 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cccc(-n3ccnc3)c2)o1 ZINC000174651597 335162253 /nfs/dbraw/zinc/16/22/53/335162253.db2.gz VMWWPAPHXCNODO-CQSZACIVSA-N 0 1 281.359 3.625 20 0 CHADMN C[C@@H](NCc1ncc(C2CC2)o1)[C@@H](C)c1ccccc1 ZINC000543468929 333876903 /nfs/dbraw/zinc/87/69/03/333876903.db2.gz FMJAIPHAHGTMBV-CHWSQXEVSA-N 0 1 270.376 3.834 20 0 CHADMN CC(C)CCN[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000543600406 333883494 /nfs/dbraw/zinc/88/34/94/333883494.db2.gz FGAMKHLRPLZXCD-INIZCTEOSA-N 0 1 291.826 3.799 20 0 CHADMN COc1cncc(/C=C/CCn2c(C)nc3c2CCCC3)c1 ZINC000576173417 335165444 /nfs/dbraw/zinc/16/54/44/335165444.db2.gz PETAMHNIWMEHKF-FNORWQNLSA-N 0 1 297.402 3.577 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C[C@@H]2CCCC[C@H]2C)c1 ZINC000543761251 333896805 /nfs/dbraw/zinc/89/68/05/333896805.db2.gz GJUHVEAWZIYLGK-YPMHNXCESA-N 0 1 289.375 3.750 20 0 CHADMN COc1ccc([C@H](C)NCc2cncc(C)c2)cc1Cl ZINC000131103947 333902186 /nfs/dbraw/zinc/90/21/86/333902186.db2.gz JJJUHRWAOJCEHI-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN COCC1(NCc2cccc(Cl)c2Cl)CCC1 ZINC000341213007 335166636 /nfs/dbraw/zinc/16/66/36/335166636.db2.gz LTXYEXIOVQVFMX-UHFFFAOYSA-N 0 1 274.191 3.652 20 0 CHADMN CCc1cnc(CN[C@@H](C)[C@@H](C)C2CCCCC2)o1 ZINC000544424804 333931110 /nfs/dbraw/zinc/93/11/10/333931110.db2.gz KVTRTTOTOKARMU-OLZOCXBDSA-N 0 1 264.413 3.932 20 0 CHADMN CC[C@@H](NCc1csc2ccccc12)c1ccn(C)n1 ZINC000544566284 333936073 /nfs/dbraw/zinc/93/60/73/333936073.db2.gz UMWRKAQUFRJHTD-CQSZACIVSA-N 0 1 285.416 3.876 20 0 CHADMN CC[C@H](N[C@H](c1ccc(C)cc1)C1CC1)c1ccn(C)n1 ZINC000544580470 333937696 /nfs/dbraw/zinc/93/76/96/333937696.db2.gz WHLDKHYXZSLTJL-FUHWJXTLSA-N 0 1 283.419 3.921 20 0 CHADMN COC(=O)c1ccc(CN[C@H](C)c2c(C)cccc2C)o1 ZINC000544893371 333950781 /nfs/dbraw/zinc/95/07/81/333950781.db2.gz BOTFYAMLHBGKHU-CYBMUJFWSA-N 0 1 287.359 3.534 20 0 CHADMN C[C@@H](NCc1ccc(F)cc1)c1ccc(F)cc1N(C)C ZINC000131802557 333967180 /nfs/dbraw/zinc/96/71/80/333967180.db2.gz PIXRQQQIAVYCAJ-GFCCVEGCSA-N 0 1 290.357 3.882 20 0 CHADMN CC[C@H](C)CN[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000545860531 334003179 /nfs/dbraw/zinc/00/31/79/334003179.db2.gz QVNHUKDIMURUKG-BLLLJJGKSA-N 0 1 291.826 3.799 20 0 CHADMN C[C@@H](Cc1ccccc1)CN1CCO[C@H](c2ccco2)C1 ZINC000132723692 334003717 /nfs/dbraw/zinc/00/37/17/334003717.db2.gz ZWGAIVLGCAOADB-YJBOKZPZSA-N 0 1 285.387 3.532 20 0 CHADMN CCCC[C@H]1CCC[C@@H]1NCc1nc(C(C)(C)C)no1 ZINC000545884882 334003979 /nfs/dbraw/zinc/00/39/79/334003979.db2.gz SJMCKQQSKVQTRR-STQMWFEESA-N 0 1 279.428 3.816 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H](CO)C2CCCCC2)cs1 ZINC000545985426 334010770 /nfs/dbraw/zinc/01/07/70/334010770.db2.gz TZJZBLSKFOYXBF-OCCSQVGLSA-N 0 1 296.480 3.858 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)c1cccc2nc[nH]c21 ZINC000074732453 334012864 /nfs/dbraw/zinc/01/28/64/334012864.db2.gz TYJSMCZDDDOKDG-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN Cc1ccc([C@@H]2CC[N@@H+](Cc3cc(O)cc(F)c3)C2)cc1 ZINC000546035334 334013763 /nfs/dbraw/zinc/01/37/63/334013763.db2.gz VTFIRRMHXVNGLC-MRXNPFEDSA-N 0 1 285.362 3.829 20 0 CHADMN Clc1ccc2c(c1)CC[C@H]2NCc1cncs1 ZINC000133074437 334015511 /nfs/dbraw/zinc/01/55/11/334015511.db2.gz USTNYZBPQXIZTD-CYBMUJFWSA-N 0 1 264.781 3.574 20 0 CHADMN C[C@@H]1CCN(Cc2ccn(C3CCCC3)n2)CC1(C)C ZINC000546124217 334015792 /nfs/dbraw/zinc/01/57/92/334015792.db2.gz NNFPMULZYPGXDU-CQSZACIVSA-N 0 1 275.440 3.866 20 0 CHADMN C/C(=C/c1ccccc1)C[N@H+]1CCOCC2(CCC2)C1 ZINC000546264904 334023839 /nfs/dbraw/zinc/02/38/39/334023839.db2.gz KCPZUSURBXEYGC-VBKFSLOCSA-N 0 1 271.404 3.592 20 0 CHADMN CC/C=C\CCN1CCO[C@](C)(c2ccccc2)C1 ZINC000546636477 334042678 /nfs/dbraw/zinc/04/26/78/334042678.db2.gz PHRSIFYEETXPGG-CHYADLBTSA-N 0 1 259.393 3.590 20 0 CHADMN CC[C@H](NC(C)(C)c1cnn(C)c1)c1ccc(F)cc1F ZINC000546704358 334047265 /nfs/dbraw/zinc/04/72/65/334047265.db2.gz CBGSEIAJYFNQEB-HNNXBMFYSA-N 0 1 293.361 3.674 20 0 CHADMN C[C@H]1CCN(Cc2nccn2Cc2ccccc2)CC1(C)C ZINC000546833177 334051616 /nfs/dbraw/zinc/05/16/16/334051616.db2.gz FWPLLCHOBCRRIX-INIZCTEOSA-N 0 1 297.446 3.799 20 0 CHADMN CCN(CCC1CC1)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000546922833 334055421 /nfs/dbraw/zinc/05/54/21/334055421.db2.gz CAGASQNTUACJFR-UHFFFAOYSA-N 0 1 289.423 3.720 20 0 CHADMN Cc1ccc(C)c(C[N@H+](C)[C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000576234124 335175205 /nfs/dbraw/zinc/17/52/05/335175205.db2.gz WJYWMKALFLLMBP-ZDUSSCGKSA-N 0 1 287.359 3.788 20 0 CHADMN COc1ccc(-c2nc(CN3CCC[C@H]3C)cs2)cc1 ZINC000076116159 334073196 /nfs/dbraw/zinc/07/31/96/334073196.db2.gz NSSPSFCANMSOMC-GFCCVEGCSA-N 0 1 288.416 3.803 20 0 CHADMN C[C@H]1CCCN1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000076117902 334073564 /nfs/dbraw/zinc/07/35/64/334073564.db2.gz HUCQKJJBSRGZFC-NSHDSACASA-N 0 1 276.767 3.979 20 0 CHADMN OCC[C@@H](N[C@H](CC1CC1)c1ccccc1)c1ccco1 ZINC000547400080 334085922 /nfs/dbraw/zinc/08/59/22/334085922.db2.gz OUXJQHNPYOHWEO-IAGOWNOFSA-N 0 1 285.387 3.834 20 0 CHADMN CCC[C@@H]1CCCC[C@@H]1NCc1csc(NC(C)=O)n1 ZINC000547508850 334096383 /nfs/dbraw/zinc/09/63/83/334096383.db2.gz DSMLYZYCXVBLOM-OCCSQVGLSA-N 0 1 295.452 3.550 20 0 CHADMN CC1(C)CCCN1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000077382566 334104272 /nfs/dbraw/zinc/10/42/72/334104272.db2.gz LEHIRGYPWZHDSS-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN CC[C@@H](C)CN(C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000175220239 335177733 /nfs/dbraw/zinc/17/77/33/335177733.db2.gz PPYMXUKIZLJXOW-GFCCVEGCSA-N 0 1 276.355 3.959 20 0 CHADMN CCC(CC)NC(=O)[C@H](C)N1CCC[C@@H]1c1cccs1 ZINC000078624368 334137640 /nfs/dbraw/zinc/13/76/40/334137640.db2.gz TZXNGFNIQBWLEF-GXTWGEPZSA-N 0 1 294.464 3.578 20 0 CHADMN CCC[C@H]1CCCC[C@H]1NCc1nnc(C(C)C)o1 ZINC000548159587 334143864 /nfs/dbraw/zinc/14/38/64/334143864.db2.gz ZLHKJXIKDKWMAE-QWHCGFSZSA-N 0 1 265.401 3.642 20 0 CHADMN CN(CCSc1ccccc1)CCC(F)(F)F ZINC000079618594 334158328 /nfs/dbraw/zinc/15/83/28/334158328.db2.gz XREYCPYPEOTMRS-UHFFFAOYSA-N 0 1 263.328 3.663 20 0 CHADMN Cc1cc(NC(=O)[C@H]2CCCc3[nH]ncc32)ccc1C1CC1 ZINC000548473336 334158851 /nfs/dbraw/zinc/15/88/51/334158851.db2.gz LQBLJUZEQQKHHR-HNNXBMFYSA-N 0 1 295.386 3.654 20 0 CHADMN c1cc2cccc(NCc3ccc4nc[nH]c4c3)c2[nH]1 ZINC000548475741 334159140 /nfs/dbraw/zinc/15/91/40/334159140.db2.gz RARILUUQZRDGGS-UHFFFAOYSA-N 0 1 262.316 3.656 20 0 CHADMN CCc1ccc([C@H](CO)NCc2ccc(F)cc2C)cc1 ZINC000548486200 334159812 /nfs/dbraw/zinc/15/98/12/334159812.db2.gz DLESHBQATGVZGR-SFHVURJKSA-N 0 1 287.378 3.520 20 0 CHADMN Cc1ccccc1[C@@H](CO)NCc1cc(F)cc(Cl)c1 ZINC000548587235 334163071 /nfs/dbraw/zinc/16/30/71/334163071.db2.gz HCKBALAOCKWEPU-MRXNPFEDSA-N 0 1 293.769 3.611 20 0 CHADMN CCc1ccc(CN2CCC[C@@H]2c2ccc(COC)o2)o1 ZINC000137068871 334168514 /nfs/dbraw/zinc/16/85/14/334168514.db2.gz NNTYEIOMVABPDX-MRXNPFEDSA-N 0 1 289.375 3.919 20 0 CHADMN Cc1ccc([C@@H](C)NC(=O)c2cc(F)cc3nc[nH]c32)cc1 ZINC000080333755 334170711 /nfs/dbraw/zinc/17/07/11/334170711.db2.gz DHIZOQFXPFARQG-LLVKDONJSA-N 0 1 297.333 3.501 20 0 CHADMN CC[C@]1(C)CN(C[C@H](OC)c2ccc(Cl)cc2)CCO1 ZINC000548932166 334180639 /nfs/dbraw/zinc/18/06/39/334180639.db2.gz SZLJDABOUXZXQI-JKSUJKDBSA-N 0 1 297.826 3.528 20 0 CHADMN CC[C@@]1(C)CN(C[C@@H](OC)c2ccc(Cl)cc2)CCO1 ZINC000548932163 334180866 /nfs/dbraw/zinc/18/08/66/334180866.db2.gz SZLJDABOUXZXQI-CVEARBPZSA-N 0 1 297.826 3.528 20 0 CHADMN CC1(C)SC[C@@H]1NCc1cc(C(F)(F)F)ccc1F ZINC000549268909 334189287 /nfs/dbraw/zinc/18/92/87/334189287.db2.gz QPQSAZCPFMDVIA-NSHDSACASA-N 0 1 293.329 3.828 20 0 CHADMN C[C@@H]1CN(Cc2sccc2Cl)C[C@H](C)S1 ZINC000549348983 334190745 /nfs/dbraw/zinc/19/07/45/334190745.db2.gz NZUMVCHJQWTXDO-DTORHVGOSA-N 0 1 261.843 3.727 20 0 CHADMN Cc1ccc2nc(CNc3nccc(C(C)(C)C)n3)[nH]c2c1 ZINC000549523556 334196081 /nfs/dbraw/zinc/19/60/81/334196081.db2.gz JPKFFCKQFBESPA-UHFFFAOYSA-N 0 1 295.390 3.571 20 0 CHADMN COc1ccc(F)c(CNCCOC2CCCCCC2)c1 ZINC000549760753 334204004 /nfs/dbraw/zinc/20/40/04/334204004.db2.gz AYDCQTBGEDEEAH-UHFFFAOYSA-N 0 1 295.398 3.663 20 0 CHADMN c1cc(CN2CCc3ccccc3[C@H]2c2ccccc2)on1 ZINC000549960867 334210365 /nfs/dbraw/zinc/21/03/65/334210365.db2.gz BKQIUPKXZQUWRM-LJQANCHMSA-N 0 1 290.366 3.822 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CC[C@@H](CC2CC2)C1 ZINC000550032075 334211757 /nfs/dbraw/zinc/21/17/57/334211757.db2.gz DSEQIUVXZQTAKH-AAEUAGOBSA-N 0 1 277.412 3.550 20 0 CHADMN COc1ccc(Cl)c(CN2CCCO[C@H](C(C)C)C2)c1 ZINC000550187765 334215798 /nfs/dbraw/zinc/21/57/98/334215798.db2.gz KUYADPMGRZQTNY-INIZCTEOSA-N 0 1 297.826 3.596 20 0 CHADMN CC(=O)c1c(C)cc(C)c(CN2C[C@@H](C)[C@H]2C)c1C ZINC000550306028 334219675 /nfs/dbraw/zinc/21/96/75/334219675.db2.gz OIBNANQOLJMBNV-TZMCWYRMSA-N 0 1 259.393 3.655 20 0 CHADMN C[C@@H](c1ccccc1Br)N1C[C@@H](C)[C@H]1C ZINC000550311926 334219810 /nfs/dbraw/zinc/21/98/10/334219810.db2.gz KJZYZIQRCPUDHO-MXWKQRLJSA-N 0 1 268.198 3.850 20 0 CHADMN CN(c1ccccc1)c1ccc(CN[C@H]2CCC[C@H]2F)cn1 ZINC000550319299 334220082 /nfs/dbraw/zinc/22/00/82/334220082.db2.gz CXMZBSZDMXLQLV-SJORKVTESA-N 0 1 299.393 3.830 20 0 CHADMN CC(C)[C@@]1(CO)CCCN([C@H](C)c2cc(F)ccc2F)C1 ZINC000550430902 334222168 /nfs/dbraw/zinc/22/21/68/334222168.db2.gz DEFSYRXFJYZBAN-DYVFJYSZSA-N 0 1 297.389 3.756 20 0 CHADMN CCCC[N@@H+](Cc1nc([C@@H](C)OC)no1)C1CCCCC1 ZINC000550525004 334224047 /nfs/dbraw/zinc/22/40/47/334224047.db2.gz QBSYPZAHPCYNGM-CYBMUJFWSA-N 0 1 295.427 3.712 20 0 CHADMN CCCCN(Cc1nc([C@@H](C)OC)no1)C1CCCCC1 ZINC000550525004 334224049 /nfs/dbraw/zinc/22/40/49/334224049.db2.gz QBSYPZAHPCYNGM-CYBMUJFWSA-N 0 1 295.427 3.712 20 0 CHADMN CC(C)[C@H]1CN(CCc2c(F)cccc2Cl)CCCO1 ZINC000550558298 334224437 /nfs/dbraw/zinc/22/44/37/334224437.db2.gz GQBHZEOWDMRZOB-MRXNPFEDSA-N 0 1 299.817 3.769 20 0 CHADMN C[C@@H](N[C@@H]1CC[C@@H](C)c2ccccc21)c1nccn1C ZINC000246059330 334229099 /nfs/dbraw/zinc/22/90/99/334229099.db2.gz QXIDWWMRZFXYEN-XJKCOSOUSA-N 0 1 269.392 3.709 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H]1F)c1nccc2ccccc21 ZINC000550929063 334233698 /nfs/dbraw/zinc/23/36/98/334233698.db2.gz VCUJIZKUTAUUQX-TUKIKUTGSA-N 0 1 258.340 3.776 20 0 CHADMN CC(C)(C)CCSc1nc(=O)cc(O)n1C1CCCC1 ZINC000550993176 334235600 /nfs/dbraw/zinc/23/56/00/334235600.db2.gz KZIOSPMUFOBTMJ-UHFFFAOYSA-N 0 1 296.436 3.592 20 0 CHADMN CCCCc1nc(CN(CC2CC2)C2CCCCC2)no1 ZINC000551064919 334237753 /nfs/dbraw/zinc/23/77/53/334237753.db2.gz JPJQFZSUPGKXAD-UHFFFAOYSA-N 0 1 291.439 3.957 20 0 CHADMN CC(F)(F)CN[C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000551263120 334243319 /nfs/dbraw/zinc/24/33/19/334243319.db2.gz MNPMZVMVJHFANW-OLZOCXBDSA-N 0 1 257.299 3.707 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@H]1CCC[C@H]1F)CCCO2 ZINC000551304876 334245825 /nfs/dbraw/zinc/24/58/25/334245825.db2.gz PVOAZWJRRINMEK-RDBSUJKOSA-N 0 1 267.319 3.520 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)C(C)(F)F)n2)cc2nc[nH]c21 ZINC000551383130 334248721 /nfs/dbraw/zinc/24/87/21/334248721.db2.gz GZKNQAIOEKVWRN-MRVPVSSYSA-N 0 1 292.289 3.680 20 0 CHADMN CCO[C@@H](C)c1noc(CN2CCC[C@@H]2C(C)(C)CC)n1 ZINC000246318620 334250801 /nfs/dbraw/zinc/25/08/01/334250801.db2.gz RKKDNLPOKTWBAC-QWHCGFSZSA-N 0 1 295.427 3.568 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CCC[C@@H](OC)C1 ZINC000247114750 334275916 /nfs/dbraw/zinc/27/59/16/334275916.db2.gz PIKQCOWJDHAWMG-DOMZBBRYSA-N 0 1 269.335 3.527 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)N1CC[C@](C)(O)C1 ZINC000246626181 334265655 /nfs/dbraw/zinc/26/56/55/334265655.db2.gz ISRFBWBMXBKSOQ-RNCFNFMXSA-N 0 1 274.191 3.511 20 0 CHADMN C[C@@H]1CN(CC2CCCC2)C[C@@H](c2ccsc2)O1 ZINC000246651280 334266262 /nfs/dbraw/zinc/26/62/62/334266262.db2.gz XIGQEFFBXNOZER-DOMZBBRYSA-N 0 1 265.422 3.700 20 0 CHADMN CCCN(Cc1conc1C)Cc1ccc(C)cc1 ZINC000551939300 334266489 /nfs/dbraw/zinc/26/64/89/334266489.db2.gz JYHOAEGKIFLGTN-UHFFFAOYSA-N 0 1 258.365 3.704 20 0 CHADMN C[C@@H](CN[C@H](c1ncc[nH]1)C1CCCCC1)C(F)(F)F ZINC000552066278 334284818 /nfs/dbraw/zinc/28/48/18/334284818.db2.gz CRGGMZHCCVWMLZ-JQWIXIFHSA-N 0 1 289.345 3.819 20 0 CHADMN c1ccc(-c2noc(CN3CCC[C@H]4CCC[C@H]43)n2)cc1 ZINC000247693007 334288516 /nfs/dbraw/zinc/28/85/16/334288516.db2.gz WFXFOJFENYKMCA-UKRRQHHQSA-N 0 1 283.375 3.501 20 0 CHADMN CO[C@@H]1CCCN([C@@H](C)c2cccc(Br)c2)C1 ZINC000247930228 334291746 /nfs/dbraw/zinc/29/17/46/334291746.db2.gz BXUKJRGHXDAONI-SMDDNHRTSA-N 0 1 298.224 3.621 20 0 CHADMN Fc1cc(CN2CC[C@H](CC3CC3)C2)cc(F)c1F ZINC000552138233 334293926 /nfs/dbraw/zinc/29/39/26/334293926.db2.gz JSKCVDFTCAVPGS-LLVKDONJSA-N 0 1 269.310 3.726 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CC[C@H](C)[C@H]1C ZINC000248366667 334298987 /nfs/dbraw/zinc/29/89/87/334298987.db2.gz SKPWZRPJCFLMOX-QWHCGFSZSA-N 0 1 275.392 3.518 20 0 CHADMN CC(C)[C@@H]1CC[C@@H]1N[C@H](c1nccn1C)c1ccccc1 ZINC000552238942 334307125 /nfs/dbraw/zinc/30/71/25/334307125.db2.gz UELQLVXAIGHMAV-ULQDDVLXSA-N 0 1 283.419 3.534 20 0 CHADMN COC[C@H]1CCN1C/C(C)=C\c1ccccc1C(F)(F)F ZINC000552315398 334315910 /nfs/dbraw/zinc/31/59/10/334315910.db2.gz QNWGSXKQKWJZGS-FWLQQBITSA-N 0 1 299.336 3.829 20 0 CHADMN C[C@H](c1nc(C2CCCC2)no1)N1[C@H](C)CC[C@H]1C ZINC000248943578 334322353 /nfs/dbraw/zinc/32/23/53/334322353.db2.gz OJVYZQLFIWWOQT-IJLUTSLNSA-N 0 1 263.385 3.661 20 0 CHADMN Brc1ccc(CN2CC[C@H](CC3CC3)C2)o1 ZINC000552408123 334323504 /nfs/dbraw/zinc/32/35/04/334323504.db2.gz XJFGWUSTAWRDDU-LLVKDONJSA-N 0 1 284.197 3.664 20 0 CHADMN C[C@@H]1CCCC[C@H]1CN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000249202862 334330045 /nfs/dbraw/zinc/33/00/45/334330045.db2.gz URYUPRFTICLSCW-HYVNUMGLSA-N 0 1 283.419 3.915 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1N[C@H](C)c1nc(C(C)C)no1 ZINC000249498427 334334989 /nfs/dbraw/zinc/33/49/89/334334989.db2.gz HNPJCXTUDJQPEH-JHJVBQTASA-N 0 1 297.468 3.908 20 0 CHADMN CC(C)C[C@H](C)OCCC(=O)Nc1cccc(Cl)c1O ZINC000088375618 334337520 /nfs/dbraw/zinc/33/75/20/334337520.db2.gz XUGNJGYVERONJQ-NSHDSACASA-N 0 1 299.798 3.825 20 0 CHADMN COCC1(C)CCN([C@H](C)c2c(F)cccc2F)CC1 ZINC000552647776 334340893 /nfs/dbraw/zinc/34/08/93/334340893.db2.gz CFINWJGGSQQMFH-GFCCVEGCSA-N 0 1 283.362 3.774 20 0 CHADMN CCCC(C)(C)CC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000552741194 334343955 /nfs/dbraw/zinc/34/39/55/334343955.db2.gz BSUOALZFBXJJIN-UHFFFAOYSA-N 0 1 291.439 3.641 20 0 CHADMN Cc1cccc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1C ZINC000250994961 334354417 /nfs/dbraw/zinc/35/44/17/334354417.db2.gz DZRPLCRODWWPAM-OIISXLGYSA-N 0 1 287.403 3.521 20 0 CHADMN c1ccc(C2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000144242124 334354831 /nfs/dbraw/zinc/35/48/31/334354831.db2.gz VUWMUHFJDWNZNF-UHFFFAOYSA-N 0 1 291.398 3.943 20 0 CHADMN C[C@H](C[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000251088077 334356200 /nfs/dbraw/zinc/35/62/00/334356200.db2.gz JPJNJBFNGFTFDH-SIXLDLHFSA-N 0 1 287.403 3.508 20 0 CHADMN CCc1ccc(-c2noc(CN3C[C@H](C)C[C@H](C)C3)n2)cc1 ZINC000251919342 334372076 /nfs/dbraw/zinc/37/20/76/334372076.db2.gz AALQOGAFGRKXPF-OKILXGFUSA-N 0 1 299.418 3.777 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C(C)(C)c3cccs3)ccc12 ZINC000091827591 334384020 /nfs/dbraw/zinc/38/40/20/334384020.db2.gz YWXZYZAMZRSOJD-UHFFFAOYSA-N 0 1 299.399 3.849 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1C[C@@H](C)C[C@H]1C ZINC000252888911 334399248 /nfs/dbraw/zinc/39/92/48/334399248.db2.gz BYLPGTURBCCXJS-QWHCGFSZSA-N 0 1 275.392 3.518 20 0 CHADMN CO[C@]1(C)C[C@H](N[C@@H](C)c2nc3ccccc3o2)C1(C)C ZINC000554433265 334430134 /nfs/dbraw/zinc/43/01/34/334430134.db2.gz YTOZWVQUHNIDQL-PZSREKOKSA-N 0 1 288.391 3.682 20 0 CHADMN CC(C)(CO)[C@@H](NCc1ccc(Cl)o1)c1ccccc1 ZINC000554867138 334457560 /nfs/dbraw/zinc/45/75/60/334457560.db2.gz KPJIRMTVWHSEMD-HNNXBMFYSA-N 0 1 293.794 3.782 20 0 CHADMN C[C@@H](NCc1ccc(OC(F)F)cc1)c1ccoc1 ZINC000094867681 334506583 /nfs/dbraw/zinc/50/65/83/334506583.db2.gz DVIKGQMNMQRGAL-SNVBAGLBSA-N 0 1 267.275 3.732 20 0 CHADMN CCC(C)(C)C1CCC(NCc2ncccn2)CC1 ZINC000565242638 334547889 /nfs/dbraw/zinc/54/78/89/334547889.db2.gz GNZUWZXLQWDABV-UHFFFAOYSA-N 0 1 261.413 3.561 20 0 CHADMN COc1cccc([C@H]2C[C@H](N[C@H](C)c3cscn3)C2)c1 ZINC000565463057 334565382 /nfs/dbraw/zinc/56/53/82/334565382.db2.gz CPVYARROTRUEEB-MRVWCRGKSA-N 0 1 288.416 3.749 20 0 CHADMN c1ccc2c(c1)SCC[C@@H]2NCc1ccc2c(n1)CCC2 ZINC000565936773 334610185 /nfs/dbraw/zinc/61/01/85/334610185.db2.gz XEZNWCVBFUHPIC-KRWDZBQOSA-N 0 1 296.439 3.897 20 0 CHADMN Cc1cc(C)c([C@@H](C)N[C@H](C)c2ccn(C)n2)c(C)c1 ZINC000567219074 334694020 /nfs/dbraw/zinc/69/40/20/334694020.db2.gz ZIZYOIDZOIAHOB-HUUCEWRRSA-N 0 1 271.408 3.757 20 0 CHADMN CC[C@H]1CCCC[C@@H]1NCc1noc(-c2ccsc2)n1 ZINC000163232594 334701058 /nfs/dbraw/zinc/70/10/58/334701058.db2.gz VBPSGJTUGLOCKP-AAEUAGOBSA-N 0 1 291.420 3.857 20 0 CHADMN C[C@H](NCCCCC(F)(F)F)c1nc(C(C)(C)C)no1 ZINC000155291576 334718580 /nfs/dbraw/zinc/71/85/80/334718580.db2.gz PJDQPXZNVFVZSU-VIFPVBQESA-N 0 1 293.333 3.750 20 0 CHADMN CC(C)CC(C)(C)c1nc(-c2ccn3cncc3c2)no1 ZINC000567452096 334720997 /nfs/dbraw/zinc/72/09/97/334720997.db2.gz GLYQUGHZZSLFRF-UHFFFAOYSA-N 0 1 284.363 3.708 20 0 CHADMN CCOc1cccc(CN[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000155520541 334722945 /nfs/dbraw/zinc/72/29/45/334722945.db2.gz HLGHRIHPZPEVBI-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN N#Cc1ccc(CN[C@@H](c2ccccc2)C2CCC2)nc1 ZINC000568164190 334798449 /nfs/dbraw/zinc/79/84/49/334798449.db2.gz LYCNPEWZOXVRKM-SFHVURJKSA-N 0 1 277.371 3.584 20 0 CHADMN C[C@H](N[C@@H]1c2cccc(F)c2CC[C@H]1C)c1cnccn1 ZINC000163289217 334817414 /nfs/dbraw/zinc/81/74/14/334817414.db2.gz URIXDVJXPDDXQB-PEBVRCNWSA-N 0 1 285.366 3.590 20 0 CHADMN CCc1cccc(CNCc2cccc(C(F)(F)F)n2)c1 ZINC000569249540 334863881 /nfs/dbraw/zinc/86/38/81/334863881.db2.gz IBJDGTQIVBPVOE-UHFFFAOYSA-N 0 1 294.320 3.953 20 0 CHADMN Cc1cccnc1[C@@H](NCc1ccc2c(n1)CCC2)C(C)C ZINC000572699563 334872460 /nfs/dbraw/zinc/87/24/60/334872460.db2.gz PAZKRNPRRJAVGZ-SFHVURJKSA-N 0 1 295.430 3.761 20 0 CHADMN Fc1cccc(Oc2ncccc2CNCc2cc[nH]c2)c1 ZINC000175697573 335193414 /nfs/dbraw/zinc/19/34/14/335193414.db2.gz HKFNIXHZMFSWAT-UHFFFAOYSA-N 0 1 297.333 3.631 20 0 CHADMN Cc1ccc(C[C@H](NCc2cc[nH]c2)c2ccccn2)cc1 ZINC000175710662 335195311 /nfs/dbraw/zinc/19/53/11/335195311.db2.gz ACNMZPJGFRUCHI-IBGZPJMESA-N 0 1 291.398 3.792 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000576405821 335199952 /nfs/dbraw/zinc/19/99/52/335199952.db2.gz USSDWUMLVSJCIB-CQDKDKBSSA-N 0 1 291.391 3.687 20 0 CHADMN CC(C)[C@@H]1CCCC[N@H+]1Cc1cncc(Br)c1 ZINC000343518872 335206585 /nfs/dbraw/zinc/20/65/85/335206585.db2.gz BXIRJBLTEPLFBY-AWEZNQCLSA-N 0 1 297.240 3.855 20 0 CHADMN CC(C)[C@@H]1CCCCN1Cc1cncc(Br)c1 ZINC000343518872 335206586 /nfs/dbraw/zinc/20/65/86/335206586.db2.gz BXIRJBLTEPLFBY-AWEZNQCLSA-N 0 1 297.240 3.855 20 0 CHADMN Cc1cc(C)c(C[N@H+]2[C@H](C)CC[C@H](C(=O)[O-])[C@@H]2C)c(C)c1 ZINC000576480047 335210271 /nfs/dbraw/zinc/21/02/71/335210271.db2.gz LJAAJVNGGKROOP-PMPSAXMXSA-N 0 1 289.419 3.685 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@H]1CCc2sc(Cl)cc21 ZINC000576479834 335210348 /nfs/dbraw/zinc/21/03/48/335210348.db2.gz RONXOYRCSZDRKV-SKDRFNHKSA-N 0 1 293.823 3.838 20 0 CHADMN CCC1(C(=O)Nc2cccc(Cl)c2O)CCC1 ZINC000176145403 335245258 /nfs/dbraw/zinc/24/52/58/335245258.db2.gz XXNGMILSWXCACL-UHFFFAOYSA-N 0 1 253.729 3.564 20 0 CHADMN Cc1ccc(CN[C@H]2CCCc3nn(C)cc32)c(Cl)c1 ZINC000576709312 335238215 /nfs/dbraw/zinc/23/82/15/335238215.db2.gz OPFGCFRCOAXKTI-HNNXBMFYSA-N 0 1 289.810 3.549 20 0 CHADMN CCn1nc(CN2CC(C)(C)[C@H]2C2CC2)c2ccccc21 ZINC000576871155 335258012 /nfs/dbraw/zinc/25/80/12/335258012.db2.gz RNXMELWAPXCMJQ-QGZVFWFLSA-N 0 1 283.419 3.677 20 0 CHADMN C[C@@]1(c2ccccc2)CN(CCc2ccccc2F)CCO1 ZINC000576878498 335259563 /nfs/dbraw/zinc/25/95/63/335259563.db2.gz NKGDZYUTKOKTKM-IBGZPJMESA-N 0 1 299.389 3.616 20 0 CHADMN CCOC[C@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000176320214 335261979 /nfs/dbraw/zinc/26/19/79/335261979.db2.gz GMPNGLBJIAHXQS-NSHDSACASA-N 0 1 288.218 3.852 20 0 CHADMN CC1CCC([N@@H+](Cc2csc(C(=O)[O-])c2)C2CC2)CC1 ZINC000576949558 335268217 /nfs/dbraw/zinc/26/82/17/335268217.db2.gz OOIQTLMDORCMBE-UHFFFAOYSA-N 0 1 293.432 3.989 20 0 CHADMN COc1ccc(C[N@@H+](C)[C@@H](C)C2CC2)c(Br)c1 ZINC000576984887 335273548 /nfs/dbraw/zinc/27/35/48/335273548.db2.gz XEVHJVPMIBDRFL-JTQLQIEISA-N 0 1 298.224 3.688 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)C2CC2)c(Br)c1 ZINC000576984887 335273550 /nfs/dbraw/zinc/27/35/50/335273550.db2.gz XEVHJVPMIBDRFL-JTQLQIEISA-N 0 1 298.224 3.688 20 0 CHADMN CC(C)O[C@@H]1CCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000576988534 335274403 /nfs/dbraw/zinc/27/44/03/335274403.db2.gz IPNBDVIECBAQHL-CQSZACIVSA-N 0 1 294.464 3.800 20 0 CHADMN CC(C)c1ncc(CN2CC(C)(C)[C@H]2C2CC2)s1 ZINC000577032166 335285306 /nfs/dbraw/zinc/28/53/06/335285306.db2.gz MXYGQXDFXHJOHV-CYBMUJFWSA-N 0 1 264.438 3.887 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccc(OC)cc2)nc1 ZINC000345121111 335298261 /nfs/dbraw/zinc/29/82/61/335298261.db2.gz OWUGISFYGMYZNS-CYBMUJFWSA-N 0 1 270.376 3.503 20 0 CHADMN CCc1ccc([C@@H]2CCCCC[N@H+]2CCCC(=O)[O-])o1 ZINC000580643266 335310076 /nfs/dbraw/zinc/31/00/76/335310076.db2.gz BZGRAXBPUPBBLC-AWEZNQCLSA-N 0 1 279.380 3.624 20 0 CHADMN Cc1ccc(C(C)(C)C[N@H+](C)[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000577226284 335326427 /nfs/dbraw/zinc/32/64/27/335326427.db2.gz GCSUOOJKKYLWKN-MRXNPFEDSA-N 0 1 291.435 3.704 20 0 CHADMN CC(C)CO[C@@H]1C[C@H](N[C@H](C)c2cscn2)C1(C)C ZINC000577236157 335328349 /nfs/dbraw/zinc/32/83/49/335328349.db2.gz KHAKPVDNYIMTID-KWCYVHTRSA-N 0 1 282.453 3.633 20 0 CHADMN Cc1cc(CN2C[C@H](C)OC3(CCC3)C2)c2ccccc2n1 ZINC000577278074 335333916 /nfs/dbraw/zinc/33/39/16/335333916.db2.gz ODJYORQESMRXBH-HNNXBMFYSA-N 0 1 296.414 3.687 20 0 CHADMN CC(C)=CCC[C@H](C)CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000577377043 335344795 /nfs/dbraw/zinc/34/47/95/335344795.db2.gz SXLKNNZJQWTTAY-ZFWWWQNUSA-N 0 1 289.423 3.676 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000577381452 335345558 /nfs/dbraw/zinc/34/55/58/335345558.db2.gz XZQONXXMNNIBLX-WCQYABFASA-N 0 1 281.421 3.847 20 0 CHADMN CC[C@H]1CCCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000577538281 335366277 /nfs/dbraw/zinc/36/62/77/335366277.db2.gz JMICJCRNXSUKDQ-AWEZNQCLSA-N 0 1 285.391 3.749 20 0 CHADMN Cc1nnsc1CN1CCC[C@H]1/C=C/c1ccccc1 ZINC000577615114 335378415 /nfs/dbraw/zinc/37/84/15/335378415.db2.gz BERRAJZMBXTGIZ-FEAKQIBJSA-N 0 1 285.416 3.524 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000577642478 335385052 /nfs/dbraw/zinc/38/50/52/335385052.db2.gz IJZBXIWXUWLEKI-LLVKDONJSA-N 0 1 281.783 3.660 20 0 CHADMN CCc1cc(C)c(C(=O)Nc2cccc(Cl)c2O)o1 ZINC000177903200 335405166 /nfs/dbraw/zinc/40/51/66/335405166.db2.gz MORXYWLQAQXBJP-UHFFFAOYSA-N 0 1 279.723 3.762 20 0 CHADMN C[C@H](NCc1ccc(OC2CCCC2)nc1)c1ccoc1 ZINC000178175550 335421022 /nfs/dbraw/zinc/42/10/22/335421022.db2.gz HAJJVZMADMLAPC-ZDUSSCGKSA-N 0 1 286.375 3.847 20 0 CHADMN C[C@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cnccn1 ZINC000178292358 335424691 /nfs/dbraw/zinc/42/46/91/335424691.db2.gz SPLNECSCASBUQE-MEDUHNTESA-N 0 1 287.794 3.932 20 0 CHADMN CCc1nnc(CN[C@@H](CCC(C)C)C(C)(C)C)o1 ZINC000179911911 335531449 /nfs/dbraw/zinc/53/14/49/335531449.db2.gz RLHDJIFLFALTEA-LBPRGKRZSA-N 0 1 267.417 3.573 20 0 CHADMN C[C@@H](NCc1ccc2[nH]ccc2c1)c1nc2c(s1)CCC2 ZINC000578247504 335592545 /nfs/dbraw/zinc/59/25/45/335592545.db2.gz XWDTXVVOWJOAIO-LLVKDONJSA-N 0 1 297.427 3.964 20 0 CHADMN Cc1ccccc1[C@H](CO)NCc1c(C)cccc1Cl ZINC000578412571 335630139 /nfs/dbraw/zinc/63/01/39/335630139.db2.gz VIYBQAXFKCXHGJ-KRWDZBQOSA-N 0 1 289.806 3.780 20 0 CHADMN CCc1cnc(CN[C@@H]2CCC[C@H]2Cc2ccccc2)o1 ZINC000579184737 335718951 /nfs/dbraw/zinc/71/89/51/335718951.db2.gz QLUVWDFWJDOHED-DOTOQJQBSA-N 0 1 284.403 3.738 20 0 CHADMN COCc1noc([C@@H](C)N[C@@H](CCC(C)C)C(C)(C)C)n1 ZINC000181335287 335758282 /nfs/dbraw/zinc/75/82/82/335758282.db2.gz XBSCKKYDIOOCLZ-OLZOCXBDSA-N 0 1 297.443 3.718 20 0 CHADMN CCc1cc(=O)[nH]c(CN[C@@H](c2ccccc2C)C(C)C)n1 ZINC000183207430 335879178 /nfs/dbraw/zinc/87/91/78/335879178.db2.gz DTBOBNUATRCQAN-GOSISDBHSA-N 0 1 299.418 3.540 20 0 CHADMN CC(C)(C)c1cc(CN2C[C@H]3CCCC[C@@H]3C2)no1 ZINC000580013762 335948033 /nfs/dbraw/zinc/94/80/33/335948033.db2.gz GRIJLPWFIOPTQS-CHWSQXEVSA-N 0 1 262.397 3.594 20 0 CHADMN CC[C@@H](COC)NCc1cc(Cl)sc1Cl ZINC000380318387 335970983 /nfs/dbraw/zinc/97/09/83/335970983.db2.gz JREQURNUZONXIE-QMMMGPOBSA-N 0 1 268.209 3.570 20 0 CHADMN CC(C)COC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000194296537 336015622 /nfs/dbraw/zinc/01/56/22/336015622.db2.gz CVZJAUJIMIQNSM-UHFFFAOYSA-N 0 1 283.362 3.602 20 0 CHADMN Clc1cccc(Cl)c1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000581188633 336021194 /nfs/dbraw/zinc/02/11/94/336021194.db2.gz FRBJONNRZHMWIJ-YGRLFVJLSA-N 0 1 286.202 3.604 20 0 CHADMN Cc1cc([C@@H](C)NCc2scnc2C)cs1 ZINC000381337614 336059628 /nfs/dbraw/zinc/05/96/28/336059628.db2.gz DIEJFYKAQIXROI-SECBINFHSA-N 0 1 252.408 3.672 20 0 CHADMN C[C@@H](c1nc(-c2ccc3[nH]cnc3c2)no1)C1CCC1 ZINC000581420111 336074165 /nfs/dbraw/zinc/07/41/65/336074165.db2.gz VEVYPGPJIPYNCM-SECBINFHSA-N 0 1 268.320 3.517 20 0 CHADMN CC(C)C[C@H](C)CNCc1cc(COC(C)(C)C)on1 ZINC000581574857 336104972 /nfs/dbraw/zinc/10/49/72/336104972.db2.gz PQPSLBRRVCWEBP-ZDUSSCGKSA-N 0 1 282.428 3.762 20 0 CHADMN COc1ccc2oc(CN3CCC(F)(F)[C@H](C)C3)cc2c1 ZINC000581579935 336105407 /nfs/dbraw/zinc/10/54/07/336105407.db2.gz XZJKBSKHICVWHH-LLVKDONJSA-N 0 1 295.329 3.919 20 0 CHADMN COc1cc(C)ccc1NC(=O)c1ccc(Cl)cc1O ZINC000383661998 336116331 /nfs/dbraw/zinc/11/63/31/336116331.db2.gz SQCXPEXVEFZWIP-UHFFFAOYSA-N 0 1 291.734 3.615 20 0 CHADMN O=C([O-])c1ccccc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000383715961 336116813 /nfs/dbraw/zinc/11/68/13/336116813.db2.gz INALXPBDSGLDES-UHFFFAOYSA-N 0 1 281.355 3.549 20 0 CHADMN Cc1nnsc1CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000384233471 336122685 /nfs/dbraw/zinc/12/26/85/336122685.db2.gz HOZBIVWVXLKIBW-CQSZACIVSA-N 0 1 293.823 3.741 20 0 CHADMN C[C@@H](N[C@@H](c1cccnc1)C1CC1)c1cn2ccccc2n1 ZINC000581677287 336127298 /nfs/dbraw/zinc/12/72/98/336127298.db2.gz VYMCIYTZKWYXJZ-FZKQIMNGSA-N 0 1 292.386 3.531 20 0 CHADMN CC/C=C\CNCc1nc(-c2ccccc2)cs1 ZINC000385036029 336136270 /nfs/dbraw/zinc/13/62/70/336136270.db2.gz QORZDOQOSNECPX-CLTKARDFSA-N 0 1 258.390 3.866 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](Cc1cc(C(=O)[O-])ccc1Cl)C1CC1 ZINC000581731796 336139538 /nfs/dbraw/zinc/13/95/38/336139538.db2.gz PXYGZEDEXAKOFU-JTQLQIEISA-N 0 1 293.794 3.801 20 0 CHADMN CC(C)c1ccc([C@H]2CCCC[N@H+]2CCC(=O)[O-])cc1 ZINC000581741644 336141416 /nfs/dbraw/zinc/14/14/16/336141416.db2.gz LAWSNDAIDUNECG-MRXNPFEDSA-N 0 1 275.392 3.812 20 0 CHADMN c1sc(-c2ccccc2)nc1CN[C@H]1CCCSC1 ZINC000581901940 336163788 /nfs/dbraw/zinc/16/37/88/336163788.db2.gz VERDHKOVWUTCAT-ZDUSSCGKSA-N 0 1 290.457 3.795 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(-c2ccccc2F)no1 ZINC000386633908 336176686 /nfs/dbraw/zinc/17/66/86/336176686.db2.gz HAWQZSZFXAUYFM-LBPRGKRZSA-N 0 1 277.343 3.572 20 0 CHADMN Cc1cc(CN[C@@H](C)Cc2ccc(C(F)(F)F)cc2)no1 ZINC000344460409 533715235 /nfs/dbraw/zinc/71/52/35/533715235.db2.gz QLAQCQDZAMZOJW-JTQLQIEISA-N 0 1 298.308 3.723 20 0 CHADMN COc1ccc(F)c(-c2cccn3cncc23)c1Cl ZINC001245892739 1131230372 /nfs/dbraw/zinc/23/03/72/1131230372.db2.gz VBTYBRZWGOVROX-UHFFFAOYSA-N 0 1 276.698 3.802 20 0 CHADMN CC(C)CC[C@H](NCc1cccnc1)c1ccoc1 ZINC000278935959 519692675 /nfs/dbraw/zinc/69/26/75/519692675.db2.gz LSDNLJWPOAKNMU-INIZCTEOSA-N 0 1 258.365 3.942 20 0 CHADMN CCCCC[N@@H+](CCC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000071737532 520161791 /nfs/dbraw/zinc/16/17/91/520161791.db2.gz PNDARQDXBLAWAK-UHFFFAOYSA-N 0 1 283.799 3.807 20 0 CHADMN CCOc1ccc(CNCc2ccc(Cl)o2)cc1 ZINC000340392908 521005489 /nfs/dbraw/zinc/00/54/89/521005489.db2.gz GPCJQJOXJSQQPG-UHFFFAOYSA-N 0 1 265.740 3.622 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3sc(Cl)cc32)n(C)n1 ZINC000334928026 533720015 /nfs/dbraw/zinc/72/00/15/533720015.db2.gz ZRIJETWGEAJSGD-GFCCVEGCSA-N 0 1 295.839 3.611 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN(C)Cc1ccccn1 ZINC000350348851 533769899 /nfs/dbraw/zinc/76/98/99/533769899.db2.gz AKKFRLOOWFIMQH-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1ccc(CN2CCOC[C@@H]2Cc2ccccc2)s1 ZINC000350616537 533939253 /nfs/dbraw/zinc/93/92/53/533939253.db2.gz SXOFSRRXBQKBBL-INIZCTEOSA-N 0 1 287.428 3.500 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C)[C@@H]2c2cccc(F)c2)nn1 ZINC000334859651 533941488 /nfs/dbraw/zinc/94/14/88/533941488.db2.gz LRZUCIOXCJBGJH-SJKOYZFVSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1ccc(CN2CC[C@@H](c3c(F)cccc3F)C2)nc1 ZINC000346046502 533949864 /nfs/dbraw/zinc/94/98/64/533949864.db2.gz WQFKKTNMQXRVCR-CYBMUJFWSA-N 0 1 288.341 3.658 20 0 CHADMN COc1ccccc1/C=C\CN(C)[C@H](C)c1cccnc1 ZINC000350387340 533958336 /nfs/dbraw/zinc/95/83/36/533958336.db2.gz CYTMEVSEKBZUSA-YYRKOSNBSA-N 0 1 282.387 3.796 20 0 CHADMN Cc1ccc(CN2C[C@H](C)C[C@H]2c2cccc(F)c2)nn1 ZINC000334878584 533964512 /nfs/dbraw/zinc/96/45/12/533964512.db2.gz GLYPJJPHIQWLNC-PXAZEXFGSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1cn[nH]c1CN(Cc1ccco1)Cc1ccccc1 ZINC000356091559 533990648 /nfs/dbraw/zinc/99/06/48/533990648.db2.gz SMPHRRRWTDZION-UHFFFAOYSA-N 0 1 281.359 3.514 20 0 CHADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@H](C)C(C)(C)c2ccccc2)n1 ZINC000192731076 534019260 /nfs/dbraw/zinc/01/92/60/534019260.db2.gz NGDKPMVZNOQWLV-UONOGXRCSA-N 0 1 299.418 3.508 20 0 CHADMN C[C@H]1COCCN(Cc2c(Cl)oc3ccccc32)C1 ZINC000353705379 534022772 /nfs/dbraw/zinc/02/27/72/534022772.db2.gz FJTJBKRREAAVRM-LLVKDONJSA-N 0 1 279.767 3.555 20 0 CHADMN C[C@H](O)CCCN1Cc2ccccc2-c2ccccc2C1 ZINC000354896137 534054630 /nfs/dbraw/zinc/05/46/30/534054630.db2.gz QENVLJNKTFSWJB-HNNXBMFYSA-N 0 1 281.399 3.830 20 0 CHADMN Cc1cc2cc(CNCc3ccn(C)c3)oc2cc1C ZINC000344617188 534090248 /nfs/dbraw/zinc/09/02/48/534090248.db2.gz UCDZYPAPRXIJRD-UHFFFAOYSA-N 0 1 268.360 3.678 20 0 CHADMN C[C@@H](CO)N(Cc1csc(C(C)(C)C)n1)C1CCCC1 ZINC000347170707 534126467 /nfs/dbraw/zinc/12/64/67/534126467.db2.gz PUWWBBGGFPMFHS-LBPRGKRZSA-N 0 1 296.480 3.566 20 0 CHADMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1csc2ccccc12 ZINC000352717498 534225535 /nfs/dbraw/zinc/22/55/35/534225535.db2.gz PCTUVOADERLGMC-TXEJJXNPSA-N 0 1 288.416 3.713 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1nc2ccc(Cl)cc2n1C ZINC000354996906 534228054 /nfs/dbraw/zinc/22/80/54/534228054.db2.gz XVYXQZTTYVLBRK-PHIMTYICSA-N 0 1 277.799 3.600 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1Cc1cscc1Br ZINC000347921608 534233297 /nfs/dbraw/zinc/23/32/97/534233297.db2.gz QVJAGBPZJKQYAJ-DTWKUNHWSA-N 0 1 274.227 3.741 20 0 CHADMN Cc1ccc2[nH]c(CN(C)Cc3ccncc3)cc2c1C ZINC000351981983 534352486 /nfs/dbraw/zinc/35/24/86/534352486.db2.gz MSRVJRNUNQOEND-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN CC=C(C=CC(=O)Nc1cc2cn[nH]c2cc1C)CC ZINC000276643926 518490932 /nfs/dbraw/zinc/49/09/32/518490932.db2.gz CYLPRBKELDKPCA-QWHRQYHDSA-N 0 1 269.348 3.722 20 0 CHADMN C/C=C(\CC)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000188711505 518496485 /nfs/dbraw/zinc/49/64/85/518496485.db2.gz NRGZNWCGZKLXTI-JILDMTJUSA-N 0 1 297.402 3.891 20 0 CHADMN COC(=O)c1occc1C[N@H+]1CCCC2(CCCCC2)C1 ZINC000353563886 534381223 /nfs/dbraw/zinc/38/12/23/534381223.db2.gz BUPWRHIYDJMAKV-UHFFFAOYSA-N 0 1 291.391 3.613 20 0 CHADMN COC(=O)c1occc1CN1CCCC2(CCCCC2)C1 ZINC000353563886 534381231 /nfs/dbraw/zinc/38/12/31/534381231.db2.gz BUPWRHIYDJMAKV-UHFFFAOYSA-N 0 1 291.391 3.613 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000280235145 518939437 /nfs/dbraw/zinc/93/94/37/518939437.db2.gz APKMEOIEXABLAC-GFCCVEGCSA-N 0 1 289.379 3.588 20 0 CHADMN CC(C)(C)c1n[nH]cc1CNCc1coc2ccccc12 ZINC000339408563 519090687 /nfs/dbraw/zinc/09/06/87/519090687.db2.gz CMVGBMSCPPYQBL-UHFFFAOYSA-N 0 1 283.375 3.743 20 0 CHADMN CC(C)(C)c1noc(CN[C@@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000131047690 519134496 /nfs/dbraw/zinc/13/44/96/519134496.db2.gz CQONSDLPPOGDOT-HUUCEWRRSA-N 0 1 299.418 3.793 20 0 CHADMN CC(C)C[C@@H](N)c1noc(CSc2ccc(F)cc2)n1 ZINC000339397182 519233326 /nfs/dbraw/zinc/23/33/26/519233326.db2.gz QKNDPWPISHYHLQ-GFCCVEGCSA-N 0 1 295.383 3.547 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C[C@@H](C)c2ccc(F)cc2)n1 ZINC000339398979 519233834 /nfs/dbraw/zinc/23/38/34/519233834.db2.gz XSAARPDASXVBIH-BXUZGUMPSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H](C)CC2CCCC2)n1 ZINC000339391187 519234330 /nfs/dbraw/zinc/23/43/30/519234330.db2.gz XLBJQCLDXCCZNI-DGCLKSJQSA-N 0 1 265.401 3.799 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C[C@H]2CCCc3ccccc32)n1 ZINC000339397247 519234719 /nfs/dbraw/zinc/23/47/19/519234719.db2.gz RKQUBJCYUNLWLB-GDBMZVCRSA-N 0 1 299.418 3.778 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C[C@H](C)c2ccccc2F)n1 ZINC000339394998 519235640 /nfs/dbraw/zinc/23/56/40/519235640.db2.gz JWENJDSCRUOBQG-SMDDNHRTSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)C[C@@H]1CCCN(Cc2nc(-c3ccco3)no2)C1 ZINC000119215281 519263951 /nfs/dbraw/zinc/26/39/51/519263951.db2.gz ZTLXHWKVJXUAEG-ZDUSSCGKSA-N 0 1 289.379 3.588 20 0 CHADMN C=Cn1cc(CN[C@H]2CCCc3sc(Cl)cc32)cn1 ZINC000291692512 519326668 /nfs/dbraw/zinc/32/66/68/519326668.db2.gz JEADEMYGBGPKDN-LBPRGKRZSA-N 0 1 293.823 3.866 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cc3ccccc3s2)n1 ZINC000339397876 519372124 /nfs/dbraw/zinc/37/21/24/519372124.db2.gz TXWAGRFYBGYGNV-NSHDSACASA-N 0 1 287.388 3.997 20 0 CHADMN CC(C)N(C)c1ccc(CN(C)Cc2cccs2)cn1 ZINC000276724719 519632345 /nfs/dbraw/zinc/63/23/45/519632345.db2.gz FXGSZPNHCORPHB-UHFFFAOYSA-N 0 1 289.448 3.620 20 0 CHADMN CC(C)CC[C@H]1CCCN1Cc1ncnn1-c1ccccc1 ZINC000337166642 519694197 /nfs/dbraw/zinc/69/41/97/519694197.db2.gz ZWMUDNZNLYDSPW-MRXNPFEDSA-N 0 1 298.434 3.668 20 0 CHADMN CC(=O)Nc1cccc(CN(C)Cc2ccc(C)s2)c1 ZINC000076342028 519738663 /nfs/dbraw/zinc/73/86/63/519738663.db2.gz SULZGORUOUSYCA-UHFFFAOYSA-N 0 1 288.416 3.647 20 0 CHADMN CC(C)[C@@H](NCc1ncccc1N(C)C)c1ccccc1 ZINC000289785049 519799395 /nfs/dbraw/zinc/79/93/95/519799395.db2.gz MYHIVIXPQNGQRO-GOSISDBHSA-N 0 1 283.419 3.635 20 0 CHADMN CC(C)c1cc(C(=O)N2CCC[C@@H]2c2cccs2)n[nH]1 ZINC000045018103 519831570 /nfs/dbraw/zinc/83/15/70/519831570.db2.gz MWVAATNNOQUMSS-CYBMUJFWSA-N 0 1 289.404 3.572 20 0 CHADMN CCC1(CN[C@@H](c2ncc[nH]2)c2ccccc2)CCC1 ZINC000127585963 519842992 /nfs/dbraw/zinc/84/29/92/519842992.db2.gz ZIRLIEPOKVSWGN-OAHLLOKOSA-N 0 1 269.392 3.669 20 0 CHADMN Cc1noc([C@@H]2CCCN2CC[C@H]2CCC[C@H](C)C2)n1 ZINC000353574833 534451433 /nfs/dbraw/zinc/45/14/33/534451433.db2.gz MZOIGXSYTRCCSJ-CFVMTHIKSA-N 0 1 277.412 3.731 20 0 CHADMN CC(C)c1nnc(-c2ccccc2NC(=O)CC2CCC2)[nH]1 ZINC000079697159 519857122 /nfs/dbraw/zinc/85/71/22/519857122.db2.gz VKDUOHUMVRKWMM-UHFFFAOYSA-N 0 1 298.390 3.724 20 0 CHADMN CC(C)c1nc(CN[C@H](C)c2ccc(F)c(Cl)c2)n[nH]1 ZINC000293127860 519864247 /nfs/dbraw/zinc/86/42/47/519864247.db2.gz LBJPMBZBRIHFQP-SECBINFHSA-N 0 1 296.777 3.571 20 0 CHADMN CC(C)n1cc([C@@H](C)NCc2cnc3ccccc3c2)cn1 ZINC000337199006 519974103 /nfs/dbraw/zinc/97/41/03/519974103.db2.gz DNSRUZBWDCBPLP-CQSZACIVSA-N 0 1 294.402 3.863 20 0 CHADMN c1cc(-c2nc(-c3ccn4cncc4c3)no2)c(C2CC2)o1 ZINC000347188687 534466690 /nfs/dbraw/zinc/46/66/90/534466690.db2.gz ARHIBCURVGJTPX-UHFFFAOYSA-N 0 1 292.298 3.522 20 0 CHADMN Fc1ccc(CNCc2ccc3c(c2)COC3)c(Cl)c1 ZINC000344962468 534466851 /nfs/dbraw/zinc/46/68/51/534466851.db2.gz IGQKTCCNXKNCTA-UHFFFAOYSA-N 0 1 291.753 3.799 20 0 CHADMN CC(C)n1nccc1CNCc1cccc(C(F)(F)F)c1 ZINC000280055174 520109314 /nfs/dbraw/zinc/10/93/14/520109314.db2.gz WHZNYBVUTFSTRU-UHFFFAOYSA-N 0 1 297.324 3.773 20 0 CHADMN CC(C)n1nccc1CN[C@@H]1CCCc2sccc21 ZINC000280010192 520109430 /nfs/dbraw/zinc/10/94/30/520109430.db2.gz UKFXTZWBVUEKSO-CQSZACIVSA-N 0 1 275.421 3.693 20 0 CHADMN CCOCc1ccccc1CN[C@@H](C)c1ccco1 ZINC000037762225 520215341 /nfs/dbraw/zinc/21/53/41/520215341.db2.gz XRSJUJGATVVNJG-ZDUSSCGKSA-N 0 1 259.349 3.667 20 0 CHADMN Fc1ccc(F)c(C[C@@H]2CCCN2Cc2ccccn2)c1 ZINC000418095370 534481489 /nfs/dbraw/zinc/48/14/89/534481489.db2.gz LMPHBWOTCZFNDF-INIZCTEOSA-N 0 1 288.341 3.567 20 0 CHADMN CC1(C)CCCC[C@@H]1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000279444433 520310207 /nfs/dbraw/zinc/31/02/07/520310207.db2.gz LTCTYAQWJDTLSH-CYBMUJFWSA-N 0 1 298.390 3.627 20 0 CHADMN CCCCC[C@H](NCc1cc[nH]n1)c1ccccc1 ZINC000041015435 520313052 /nfs/dbraw/zinc/31/30/52/520313052.db2.gz VPROVCGMTHRLED-INIZCTEOSA-N 0 1 257.381 3.821 20 0 CHADMN CCO[C@@H](CNCc1csc(CC)n1)c1ccccc1 ZINC000278104266 520313058 /nfs/dbraw/zinc/31/30/58/520313058.db2.gz ALRAOMYYGUIMSS-HNNXBMFYSA-N 0 1 290.432 3.573 20 0 CHADMN Cc1nocc1CN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000335944853 534494191 /nfs/dbraw/zinc/49/41/91/534494191.db2.gz GGRCHZDEJSJLQL-LBPRGKRZSA-N 0 1 288.313 3.538 20 0 CHADMN c1ccc(N2CCC(Nc3cc4c(cn3)CCC4)CC2)cc1 ZINC000354540748 534495159 /nfs/dbraw/zinc/49/51/59/534495159.db2.gz NMPRDLQCUGAOLS-UHFFFAOYSA-N 0 1 293.414 3.651 20 0 CHADMN CC1(C)CN(Cc2cnc3ccccc3c2)CC(C)(C)O1 ZINC000337215002 520487128 /nfs/dbraw/zinc/48/71/28/520487128.db2.gz XYMUUFQDPBGEEZ-UHFFFAOYSA-N 0 1 284.403 3.624 20 0 CHADMN Fc1ccc2c(c1)CN(Cc1cccc3cccnc31)CC2 ZINC000353466159 534501325 /nfs/dbraw/zinc/50/13/25/534501325.db2.gz XIJBTVLGDLGBBX-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN Fc1ccc2c(c1)[C@H](N1CCCc3occc3C1)CC2 ZINC000344241247 534502565 /nfs/dbraw/zinc/50/25/65/534502565.db2.gz WVWYMXKGZIKLMX-MRXNPFEDSA-N 0 1 271.335 3.854 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccc3cc[nH]c3n1)CCC2 ZINC000353623629 534502596 /nfs/dbraw/zinc/50/25/96/534502596.db2.gz OPHMDARWFFILIF-KRWDZBQOSA-N 0 1 295.361 3.869 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cncc(F)c1)CCC2 ZINC000336070824 534504249 /nfs/dbraw/zinc/50/42/49/534504249.db2.gz VWHNIADXERWSNY-MRXNPFEDSA-N 0 1 274.314 3.527 20 0 CHADMN CCOc1cc(CN[C@@H](C)c2ccco2)ccc1OC ZINC000035136992 520728904 /nfs/dbraw/zinc/72/89/04/520728904.db2.gz JGBPLUYBIXPYKX-LBPRGKRZSA-N 0 1 275.348 3.538 20 0 CHADMN CCC[C@@H](N[C@H](C)c1n[nH]c(CC)n1)c1ccsc1 ZINC000276894733 520793317 /nfs/dbraw/zinc/79/33/17/520793317.db2.gz IFXKZHJZTBONKW-ZYHUDNBSSA-N 0 1 278.425 3.621 20 0 CHADMN CCN(CC)[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000076673952 520832664 /nfs/dbraw/zinc/83/26/64/520832664.db2.gz ZTDCVNWKQIXTRS-NSHDSACASA-N 0 1 277.343 3.587 20 0 CHADMN CCCCOc1cccc(NCc2[nH]ncc2C)c1 ZINC000289926996 520906592 /nfs/dbraw/zinc/90/65/92/520906592.db2.gz OVDJOTTUQNDIFI-UHFFFAOYSA-N 0 1 259.353 3.509 20 0 CHADMN CCCCS[C@@H](C)c1nc([C@H](N)CC(C)C)no1 ZINC000339393818 520967188 /nfs/dbraw/zinc/96/71/88/520967188.db2.gz HOMCXONMENAOGP-WDEREUQCSA-N 0 1 271.430 3.710 20 0 CHADMN CCN(CCc1cccs1)Cc1ccn(C(C)C)n1 ZINC000265354265 521170909 /nfs/dbraw/zinc/17/09/09/521170909.db2.gz ULMVHRSXVJUCBG-UHFFFAOYSA-N 0 1 277.437 3.590 20 0 CHADMN CCOc1cccc(CN(C)Cc2ccc(Cl)nc2)c1 ZINC000125700706 521334797 /nfs/dbraw/zinc/33/47/97/521334797.db2.gz GFCYZMAFNFXLHN-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN CCOc1cccc(CN[C@@H](C)c2ccc(C)o2)c1 ZINC000037678668 521371846 /nfs/dbraw/zinc/37/18/46/521371846.db2.gz GQUDTDYEDYJRTQ-ZDUSSCGKSA-N 0 1 259.349 3.838 20 0 CHADMN CCC(CC)(CC)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000338574181 521401709 /nfs/dbraw/zinc/40/17/09/521401709.db2.gz HNFJDTJZKZOJNH-UHFFFAOYSA-N 0 1 273.380 3.570 20 0 CHADMN CCN(Cc1cccs1)Cc1ccc(F)nc1C ZINC000278512237 521407627 /nfs/dbraw/zinc/40/76/27/521407627.db2.gz WVBGGZIRXQDJRJ-UHFFFAOYSA-N 0 1 264.369 3.613 20 0 CHADMN CCCc1cccc(CNCc2cn3ccccc3n2)c1 ZINC000274849060 521431189 /nfs/dbraw/zinc/43/11/89/521431189.db2.gz XRDAKDKDSUVVPZ-UHFFFAOYSA-N 0 1 279.387 3.577 20 0 CHADMN Cc1occc1CN(C)Cc1ccccc1N1CCCC1 ZINC000352671371 534565484 /nfs/dbraw/zinc/56/54/84/534565484.db2.gz MVANFNIWMZQRLC-UHFFFAOYSA-N 0 1 284.403 3.820 20 0 CHADMN CCCc1nc(C)c(CN[C@@H](C)c2cccs2)o1 ZINC000293330719 521495670 /nfs/dbraw/zinc/49/56/70/521495670.db2.gz GAQVFTZSWMUONQ-NSHDSACASA-N 0 1 264.394 3.848 20 0 CHADMN CCOc1ncccc1CN[C@H]1c2ccccc2C[C@@H]1C ZINC000151189829 521621199 /nfs/dbraw/zinc/62/11/99/521621199.db2.gz YXKCPCQSRBASTH-SUMWQHHRSA-N 0 1 282.387 3.503 20 0 CHADMN CCOC1(C)CCN(Cc2ccc(Cl)s2)CC1 ZINC000298242706 521636108 /nfs/dbraw/zinc/63/61/08/521636108.db2.gz JDXGKGJXXZGYGH-UHFFFAOYSA-N 0 1 273.829 3.793 20 0 CHADMN CCCN(Cc1cocn1)[C@@H]1CCc2ccccc21 ZINC000277994696 521692801 /nfs/dbraw/zinc/69/28/01/521692801.db2.gz LCSLELIVRWMHKF-MRXNPFEDSA-N 0 1 256.349 3.574 20 0 CHADMN CCSCCN1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000340901184 521707624 /nfs/dbraw/zinc/70/76/24/521707624.db2.gz SHYFDRUBNPBEBJ-HOCLYGCPSA-N 0 1 279.449 3.510 20 0 CHADMN CCSc1cccc(NC(=O)c2ccc3cncn3c2)c1 ZINC000339957053 521772714 /nfs/dbraw/zinc/77/27/14/521772714.db2.gz ZMMIUQIJOVFFHY-UHFFFAOYSA-N 0 1 297.383 3.699 20 0 CHADMN COCC[C@@H](NCc1ccsc1C)c1ccco1 ZINC000293396166 521859924 /nfs/dbraw/zinc/85/99/24/521859924.db2.gz XQLVCFRKXNSRDD-CYBMUJFWSA-N 0 1 265.378 3.517 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000338576149 521891036 /nfs/dbraw/zinc/89/10/36/521891036.db2.gz VNWPWZDHVPLGOS-LRDDRELGSA-N 0 1 299.418 3.912 20 0 CHADMN COC(=O)c1ccc(CN[C@@H](c2ccccc2)C(C)C)o1 ZINC000035046581 522038960 /nfs/dbraw/zinc/03/89/60/522038960.db2.gz MWSCACLQBGWFCK-MRXNPFEDSA-N 0 1 287.359 3.553 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2ccccc2F)n[nH]1 ZINC000277094934 522052550 /nfs/dbraw/zinc/05/25/50/522052550.db2.gz GQNIHWIOLFFSAD-SDDRHHMPSA-N 0 1 290.386 3.869 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2ccsc2)n[nH]1 ZINC000277083181 522057174 /nfs/dbraw/zinc/05/71/74/522057174.db2.gz FUVQLPXNTBYHJB-AXFHLTTASA-N 0 1 278.425 3.792 20 0 CHADMN CCc1nc(S[C@@H](CC)c2ccc(F)cc2)n[nH]1 ZINC000077927814 522135997 /nfs/dbraw/zinc/13/59/97/522135997.db2.gz XHAQXFHIIDKPCJ-NSHDSACASA-N 0 1 265.357 3.750 20 0 CHADMN CCc1n[nH]c(S[C@@H](CC)c2ccc(F)cc2)n1 ZINC000077927814 522136005 /nfs/dbraw/zinc/13/60/05/522136005.db2.gz XHAQXFHIIDKPCJ-NSHDSACASA-N 0 1 265.357 3.750 20 0 CHADMN COC(=O)c1ccc([C@H](C)N(C)Cc2ccc(C)s2)o1 ZINC000102773342 522168919 /nfs/dbraw/zinc/16/89/19/522168919.db2.gz IXCGXJSOAPUKQK-NSHDSACASA-N 0 1 293.388 3.629 20 0 CHADMN CC[C@H](CN(CC)Cc1cocn1)c1ccccc1 ZINC000277437104 522172441 /nfs/dbraw/zinc/17/24/41/522172441.db2.gz JAYZWUMQMUOAIO-CQSZACIVSA-N 0 1 258.365 3.690 20 0 CHADMN CCc1nc(C)c(CN[C@H](C)c2ccc3c(c2)CCC3)o1 ZINC000291888805 522207731 /nfs/dbraw/zinc/20/77/31/522207731.db2.gz KGZOWCWPDSWCEC-GFCCVEGCSA-N 0 1 284.403 3.885 20 0 CHADMN CN(C)c1cccnc1CN[C@H]1CC(C)(C)c2ccccc21 ZINC000289714749 522300822 /nfs/dbraw/zinc/30/08/22/522300822.db2.gz JHEZCVUFNUKETI-INIZCTEOSA-N 0 1 295.430 3.660 20 0 CHADMN COc1cc(CN(C)[C@@H](C)c2cccc(Cl)c2)ccn1 ZINC000339866634 522355338 /nfs/dbraw/zinc/35/53/38/522355338.db2.gz OOGDAPSHQQPIIA-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN COc1cc(CN(C)[C@H](C)c2cccc(Cl)c2)ccn1 ZINC000339866632 522358405 /nfs/dbraw/zinc/35/84/05/522358405.db2.gz OOGDAPSHQQPIIA-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN CCc1nc([C@@H](C)NCc2ccc(C3CCCC3)cc2)n[nH]1 ZINC000291186595 522420451 /nfs/dbraw/zinc/42/04/51/522420451.db2.gz LKVIAXKNNODYTM-CYBMUJFWSA-N 0 1 298.434 3.876 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2cccc(Cl)c2)n[nH]1 ZINC000277549088 522440174 /nfs/dbraw/zinc/44/01/74/522440174.db2.gz ZYBRPQBQUAYARA-GHMZBOCLSA-N 0 1 292.814 3.822 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccc(F)c(Cl)c2)ccn1 ZINC000062057960 522473847 /nfs/dbraw/zinc/47/38/47/522473847.db2.gz QEPNGWUTSLLBBD-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(C)Cc1nnc(C(C)C)o1 ZINC000128735067 522629936 /nfs/dbraw/zinc/62/99/36/522629936.db2.gz ZVSVOBPMKWEQBM-HNNXBMFYSA-N 0 1 287.407 3.646 20 0 CHADMN CC[C@@H](Cc1nc([C@H](N)CC(C)C)no1)c1ccccc1 ZINC000339393897 522637129 /nfs/dbraw/zinc/63/71/29/522637129.db2.gz MMWPATUUQNAYIM-DZGCQCFKSA-N 0 1 287.407 3.852 20 0 CHADMN CCc1nnc(SC[C@H](OC(C)C)c2ccccc2)[nH]1 ZINC000291555602 522784081 /nfs/dbraw/zinc/78/40/81/522784081.db2.gz BPKGIFRJJHQLFV-ZDUSSCGKSA-N 0 1 291.420 3.626 20 0 CHADMN CCc1n[nH]c(SC[C@H](OC(C)C)c2ccccc2)n1 ZINC000291555602 522784084 /nfs/dbraw/zinc/78/40/84/522784084.db2.gz BPKGIFRJJHQLFV-ZDUSSCGKSA-N 0 1 291.420 3.626 20 0 CHADMN CC[C@@H](NC(=O)c1cccc2nc(C)[nH]c21)c1ccccc1 ZINC000338505861 522794535 /nfs/dbraw/zinc/79/45/35/522794535.db2.gz RIGIOCNLMWSFJG-OAHLLOKOSA-N 0 1 293.370 3.752 20 0 CHADMN CCc1noc(C)c1CNCc1ccc2ccccc2c1 ZINC000292853076 522845316 /nfs/dbraw/zinc/84/53/16/522845316.db2.gz BZFHCDJHHODKSP-UHFFFAOYSA-N 0 1 280.371 3.988 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccc(=O)[nH]n1)c1ccc(Cl)s1 ZINC000353529907 522911171 /nfs/dbraw/zinc/91/11/71/522911171.db2.gz KTNYIZCPFUBXKS-DTWKUNHWSA-N 0 1 297.811 3.699 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000227823630 522930289 /nfs/dbraw/zinc/93/02/89/522930289.db2.gz MBSAAIRDUQUSOG-HIFRSBDPSA-N 0 1 281.783 3.588 20 0 CHADMN CCc1nocc1CN(C)[C@@H](CC)c1ccc(F)cc1 ZINC000293331096 522934879 /nfs/dbraw/zinc/93/48/79/522934879.db2.gz GLZPBCMLXUCEIT-INIZCTEOSA-N 0 1 276.355 3.959 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CC)CCCCC(=O)[O-] ZINC000262267116 522943453 /nfs/dbraw/zinc/94/34/53/522943453.db2.gz SCEKEASIPAIBFQ-OAHLLOKOSA-N 0 1 263.381 3.715 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccc(F)cc1)c1cccc(F)c1 ZINC000275922602 522943990 /nfs/dbraw/zinc/94/39/90/522943990.db2.gz WDTFKMDXIIJGPF-IAGOWNOFSA-N 0 1 291.341 3.739 20 0 CHADMN CC[C@H](c1nc(C2(N)CCCCC2)no1)c1ccccc1 ZINC000041153347 522977819 /nfs/dbraw/zinc/97/78/19/522977819.db2.gz PLXSDOLJVORXBW-AWEZNQCLSA-N 0 1 285.391 3.730 20 0 CHADMN COc1cc2c(cc1F)CC[C@H]2N[C@@H](C)c1cccnc1 ZINC000281192325 523013821 /nfs/dbraw/zinc/01/38/21/523013821.db2.gz JPVJDMYRYLEWLE-MEDUHNTESA-N 0 1 286.350 3.567 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@H](CO)C1 ZINC000275729971 523088339 /nfs/dbraw/zinc/08/83/39/523088339.db2.gz UGCDRGCQVYMDTA-HZMBPMFUSA-N 0 1 288.218 3.759 20 0 CHADMN CC[C@@H](c1cccc(OC)c1)N(C)Cc1cncc(F)c1 ZINC000289377029 523093869 /nfs/dbraw/zinc/09/38/69/523093869.db2.gz ITZMAPCIZHRJKE-KRWDZBQOSA-N 0 1 288.366 3.812 20 0 CHADMN COCc1ccccc1CN[C@H](C)c1ccc(Cl)cn1 ZINC000274897016 523104797 /nfs/dbraw/zinc/10/47/97/523104797.db2.gz KLOYAPGIDJJMNR-GFCCVEGCSA-N 0 1 290.794 3.732 20 0 CHADMN Cn1c(CNC(C)(C)c2cccs2)nc2ccccc21 ZINC000344310456 534690760 /nfs/dbraw/zinc/69/07/60/534690760.db2.gz VDCHYHFKPZKJMB-UHFFFAOYSA-N 0 1 285.416 3.660 20 0 CHADMN CC[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N(C)C ZINC000276347010 523127752 /nfs/dbraw/zinc/12/77/52/523127752.db2.gz QZEBSNQJEZJCND-NSHDSACASA-N 0 1 299.296 3.768 20 0 CHADMN COCc1nc(CNCC[C@@H](C)c2ccccc2)cs1 ZINC000266242024 523198646 /nfs/dbraw/zinc/19/86/46/523198646.db2.gz XMODYDKJUKHEJK-CYBMUJFWSA-N 0 1 290.432 3.573 20 0 CHADMN CC[C@@H]1CCCN([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000117342904 523253565 /nfs/dbraw/zinc/25/35/65/523253565.db2.gz NTZYTMMFLSTZOO-NWDGAFQWSA-N 0 1 263.385 3.520 20 0 CHADMN CC[C@@H]1CCC[C@@H](NC(=O)c2cccc3nc(C)[nH]c32)C1 ZINC000338573748 523279262 /nfs/dbraw/zinc/27/92/62/523279262.db2.gz RUYUVASSPDHTRD-CHWSQXEVSA-N 0 1 285.391 3.570 20 0 CHADMN CN(Cc1cccc(Cl)n1)[C@@H]1CCc2ccccc21 ZINC000075622589 523305087 /nfs/dbraw/zinc/30/50/87/523305087.db2.gz URXYGZFMQLWBRR-OAHLLOKOSA-N 0 1 272.779 3.854 20 0 CHADMN CCn1cc(CN(C)[C@H](C)c2cccc(Cl)c2)cn1 ZINC000072982687 523366953 /nfs/dbraw/zinc/36/69/53/523366953.db2.gz UGPDGKAFLGLMDN-GFCCVEGCSA-N 0 1 277.799 3.749 20 0 CHADMN CC[C@H]1c2ccsc2CCN1Cc1ccc(C)cn1 ZINC000156148985 523452277 /nfs/dbraw/zinc/45/22/77/523452277.db2.gz JPOVTFNJQMNOGD-HNNXBMFYSA-N 0 1 272.417 3.961 20 0 CHADMN CC[C@@H]1CN(Cc2cnns2)CC[C@H]1c1ccccc1 ZINC000290085820 523456263 /nfs/dbraw/zinc/45/62/63/523456263.db2.gz QZUQEDKGQSYQDI-CZUORRHYSA-N 0 1 287.432 3.554 20 0 CHADMN CC[C@@H]1COCCN1Cc1csc2ccccc12 ZINC000115575009 523502159 /nfs/dbraw/zinc/50/21/59/523502159.db2.gz PEUOBGKFQIVHDD-CYBMUJFWSA-N 0 1 261.390 3.512 20 0 CHADMN CCn1ccnc1CN[C@@H](CC(C)C)c1cccs1 ZINC000265667881 523538984 /nfs/dbraw/zinc/53/89/84/523538984.db2.gz UYSZGDIFKWROTN-ZDUSSCGKSA-N 0 1 277.437 3.842 20 0 CHADMN C[N@H+](Cc1sc2ccccc2c1Cl)C(C)(C)C(=O)[O-] ZINC000061172805 523617500 /nfs/dbraw/zinc/61/75/00/523617500.db2.gz WSRBGZIVAQGUJH-UHFFFAOYSA-N 0 1 297.807 3.850 20 0 CHADMN C[N@@H+](Cc1sc2ccccc2c1Cl)C(C)(C)C(=O)[O-] ZINC000061172805 523617507 /nfs/dbraw/zinc/61/75/07/523617507.db2.gz WSRBGZIVAQGUJH-UHFFFAOYSA-N 0 1 297.807 3.850 20 0 CHADMN COCCN(CCC(F)(F)F)[C@H](C)c1ccccc1 ZINC000265845088 523694412 /nfs/dbraw/zinc/69/44/12/523694412.db2.gz OSFAONPWOZNCFT-GFCCVEGCSA-N 0 1 275.314 3.648 20 0 CHADMN CCc1cc(-c2nc([C@H](N)CC(C)C)no2)sc1C ZINC000339391213 523736886 /nfs/dbraw/zinc/73/68/86/523736886.db2.gz LPOXFJFMEYXWQR-LLVKDONJSA-N 0 1 279.409 3.715 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1csc2ccccc12 ZINC000111312620 523931276 /nfs/dbraw/zinc/93/12/76/523931276.db2.gz UHRSRQUSZRLZJF-NSHDSACASA-N 0 1 277.389 3.586 20 0 CHADMN COCCNCc1c(Cl)cccc1SC(C)C ZINC000111564675 523947314 /nfs/dbraw/zinc/94/73/14/523947314.db2.gz PZOSGAADEBLWBD-UHFFFAOYSA-N 0 1 273.829 3.577 20 0 CHADMN COc1ccc(CN2CC[C@H](CC(F)(F)F)C2)cc1F ZINC000278887604 524037827 /nfs/dbraw/zinc/03/78/27/524037827.db2.gz UFWXRLKEYKUMSK-LLVKDONJSA-N 0 1 291.288 3.609 20 0 CHADMN COc1ccc(CNCc2occc2C)c(C(F)(F)F)c1 ZINC000266238293 524073824 /nfs/dbraw/zinc/07/38/24/524073824.db2.gz WEGWNAHPAPDPNN-UHFFFAOYSA-N 0 1 299.292 3.905 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccccn2)cc1Cl ZINC000086583720 524083541 /nfs/dbraw/zinc/08/35/41/524083541.db2.gz VFDIGRXDVGGFQW-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN C[C@@H]1CCCCN1Cc1coc(-c2ccccc2)n1 ZINC000248097172 524115976 /nfs/dbraw/zinc/11/59/76/524115976.db2.gz MXOXBWFSFMLJEI-CYBMUJFWSA-N 0 1 256.349 3.716 20 0 CHADMN Cc1ccc(CNCc2cc(F)cc(C(F)(F)F)c2)cn1 ZINC000129438704 524582946 /nfs/dbraw/zinc/58/29/46/524582946.db2.gz NCCMJNZHYUJEJO-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN C[C@H]1CN(Cc2cccc(OC(F)F)c2)CCC1(F)F ZINC000289377898 524628242 /nfs/dbraw/zinc/62/82/42/524628242.db2.gz CATLGFBWXNNKRY-JTQLQIEISA-N 0 1 291.288 3.765 20 0 CHADMN Cc1ccc(C[C@H](C)N(C)Cc2nccn2C(F)F)cc1 ZINC000156855498 524676878 /nfs/dbraw/zinc/67/68/78/524676878.db2.gz RCLNCLDISMZJJN-ZDUSSCGKSA-N 0 1 293.361 3.650 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000120216152 524726940 /nfs/dbraw/zinc/72/69/40/524726940.db2.gz NCNQBQFWCCVBCZ-QWHCGFSZSA-N 0 1 299.370 3.836 20 0 CHADMN Cc1cc(CN[C@@H]2CC[C@@H](C)c3ccccc32)on1 ZINC000125636665 524772000 /nfs/dbraw/zinc/77/20/00/524772000.db2.gz YBPDUWPZOSMEFU-BDJLRTHQSA-N 0 1 256.349 3.711 20 0 CHADMN Cc1cc(CN[C@H]2c3cccc(F)c3CC[C@H]2C)on1 ZINC000125511414 524786489 /nfs/dbraw/zinc/78/64/89/524786489.db2.gz GQWJLLLSHHZDDS-QLJPJBMISA-N 0 1 274.339 3.535 20 0 CHADMN C[C@H]1C[C@@H](NCc2cccnc2)c2ccsc2S1 ZINC000130167635 524807139 /nfs/dbraw/zinc/80/71/39/524807139.db2.gz BIUIPFIRQBUTPS-GXFFZTMASA-N 0 1 276.430 3.858 20 0 CHADMN COc1ccncc1CN[C@H]1CCC(C)(C)c2ccccc21 ZINC000340402736 524859135 /nfs/dbraw/zinc/85/91/35/524859135.db2.gz HRBDOGHZDFBYFR-KRWDZBQOSA-N 0 1 296.414 3.993 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@@H]1CCc2c1cccc2O ZINC000274421792 524884628 /nfs/dbraw/zinc/88/46/28/524884628.db2.gz HKGQLBSVPGUPLR-ZWNOBZJWSA-N 0 1 289.400 3.800 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H](C)CC(C)C)no1 ZINC000274887678 525011792 /nfs/dbraw/zinc/01/17/92/525011792.db2.gz HCUAMXYFIIQUBQ-ZDUSSCGKSA-N 0 1 273.380 3.569 20 0 CHADMN COc1ncccc1CN[C@H](C)c1ccc(C)c(C)c1 ZINC000037650407 525063522 /nfs/dbraw/zinc/06/35/22/525063522.db2.gz VHAQKFQIVWXHOI-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN COc1ncccc1CN[C@H]1CCc2cc(Cl)ccc21 ZINC000130016216 525064175 /nfs/dbraw/zinc/06/41/75/525064175.db2.gz MOKJBPKLLXJDAX-HNNXBMFYSA-N 0 1 288.778 3.521 20 0 CHADMN Cc1ccccc1C1(c2nc([C@H](N)CC(C)C)no2)CC1 ZINC000339388962 525081546 /nfs/dbraw/zinc/08/15/46/525081546.db2.gz CAVUISADZONGJJ-CQSZACIVSA-N 0 1 285.391 3.504 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)o1 ZINC000292756025 525340949 /nfs/dbraw/zinc/34/09/49/525340949.db2.gz IZWVXJMJHKESHK-UEEZHKSASA-N 0 1 281.346 3.880 20 0 CHADMN C[C@H](NCCc1ccccc1OC(F)F)c1cscn1 ZINC000276642927 525367834 /nfs/dbraw/zinc/36/78/34/525367834.db2.gz KYCYINLYGYKYJU-JTQLQIEISA-N 0 1 298.358 3.638 20 0 CHADMN C[C@@H](NC1CC(F)(F)C1)c1ccccc1OC(F)F ZINC000277104120 525397393 /nfs/dbraw/zinc/39/73/93/525397393.db2.gz LRPBSEORMYOZJO-MRVPVSSYSA-N 0 1 277.261 3.736 20 0 CHADMN C[C@H](NCc1cc(F)cc(Cl)c1)c1cccnc1 ZINC000160816352 525431338 /nfs/dbraw/zinc/43/13/38/525431338.db2.gz NBCLAYZTSJUTQN-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN C[C@H](NCc1ccc(F)cn1)c1cccc(N2CCCC2)c1 ZINC000276290072 525445530 /nfs/dbraw/zinc/44/55/30/525445530.db2.gz VMSNTQBLKZIMDQ-AWEZNQCLSA-N 0 1 299.393 3.672 20 0 CHADMN Cc1cc([C@@H](C)NCC(=O)Nc2ccccc2)c(C)s1 ZINC000049507397 525460925 /nfs/dbraw/zinc/46/09/25/525460925.db2.gz QVMFJGRJSRQLDU-GFCCVEGCSA-N 0 1 288.416 3.654 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2F)N(Cc2cncs2)C1 ZINC000093531613 525465756 /nfs/dbraw/zinc/46/57/56/525465756.db2.gz NDHXMGPROKXNDY-IAQYHMDHSA-N 0 1 276.380 3.865 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2nccnc2C)ccc1F ZINC000275882095 525472295 /nfs/dbraw/zinc/47/22/95/525472295.db2.gz PIFFUPPUWLBDPS-YPMHNXCESA-N 0 1 273.355 3.644 20 0 CHADMN Cc1ccc(O[C@H](C)c2nc([C@H](N)CC(C)C)no2)cc1 ZINC000339356869 525472433 /nfs/dbraw/zinc/47/24/33/525472433.db2.gz CIZJSNLJIRJAGM-TZMCWYRMSA-N 0 1 289.379 3.564 20 0 CHADMN C[C@H](NCc1cnc(C(C)(C)C)s1)c1cccc(O)c1 ZINC000062838955 525477737 /nfs/dbraw/zinc/47/77/37/525477737.db2.gz NIZXYXQWGQOTLD-NSHDSACASA-N 0 1 290.432 3.997 20 0 CHADMN Cc1n[nH]cc1CCCNc1cc(C)nc2ccc(F)cc21 ZINC000120861936 525499405 /nfs/dbraw/zinc/49/94/05/525499405.db2.gz YCFBRWQULCPQDI-UHFFFAOYSA-N 0 1 298.365 3.759 20 0 CHADMN Cc1cc([C@H](C)NCc2cncs2)c(C)s1 ZINC000054771068 525523225 /nfs/dbraw/zinc/52/32/25/525523225.db2.gz ACJOIQOVQRESDZ-VIFPVBQESA-N 0 1 252.408 3.672 20 0 CHADMN Cc1cc([C@H](C)NCCCO[C@H](C)c2ccccc2)no1 ZINC000289701693 525514944 /nfs/dbraw/zinc/51/49/44/525514944.db2.gz KJOQFLAWMFXQIU-LSDHHAIUSA-N 0 1 288.391 3.802 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C)o1 ZINC000050198792 525518254 /nfs/dbraw/zinc/51/82/54/525518254.db2.gz VOJZHBNHFDKSLW-KRWDZBQOSA-N 0 1 271.360 3.764 20 0 CHADMN C[C@@H](NCc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000277619332 525519224 /nfs/dbraw/zinc/51/92/24/525519224.db2.gz GGPJXFSRZUGNGM-LLVKDONJSA-N 0 1 280.293 3.951 20 0 CHADMN C[C@@H](NCc1ccc(F)cn1)c1cccc(N2CCCC2)c1 ZINC000276290075 525527048 /nfs/dbraw/zinc/52/70/48/525527048.db2.gz VMSNTQBLKZIMDQ-CQSZACIVSA-N 0 1 299.393 3.672 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCc3c2cccc3O)c(C)o1 ZINC000044729728 525531532 /nfs/dbraw/zinc/53/15/32/525531532.db2.gz YFSGOPMGWMOWBU-ZBEGNZNMSA-N 0 1 271.360 3.940 20 0 CHADMN C[C@H](N[C@@H](c1cnn(C)c1)c1ccccc1)c1cccs1 ZINC000366675395 525546357 /nfs/dbraw/zinc/54/63/57/525546357.db2.gz HSQKHSWLOYFLEG-SUMWQHHRSA-N 0 1 297.427 3.922 20 0 CHADMN C[C@@H](NCc1cncs1)c1cccc(OC(F)F)c1 ZINC000054770611 525553703 /nfs/dbraw/zinc/55/37/03/525553703.db2.gz QSJQUCCEHVFJOJ-SECBINFHSA-N 0 1 284.331 3.595 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c1cnn2C)c1cc2ccccc2o1 ZINC000122086544 525563371 /nfs/dbraw/zinc/56/33/71/525563371.db2.gz BZHXXACYBZLRNX-SWLSCSKDSA-N 0 1 295.386 3.895 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1cncs1 ZINC000128083335 525606626 /nfs/dbraw/zinc/60/66/26/525606626.db2.gz MJFAEZPJYCZACE-DTWKUNHWSA-N 0 1 268.332 3.833 20 0 CHADMN C[C@H](N[C@H]1CCCc2c1cnn2C)c1ccc(Cl)s1 ZINC000036992459 525614082 /nfs/dbraw/zinc/61/40/82/525614082.db2.gz CYTUFOGECISSFE-ONGXEEELSA-N 0 1 295.839 3.863 20 0 CHADMN C[C@H](N[C@H]1CCCc2ccc(O)cc21)c1ccccn1 ZINC000235542818 525614806 /nfs/dbraw/zinc/61/48/06/525614806.db2.gz SSYYSQFEGFGOML-SJCJKPOMSA-N 0 1 268.360 3.515 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1cccc(C(F)(F)F)c1 ZINC000222494701 525618925 /nfs/dbraw/zinc/61/89/25/525618925.db2.gz OFXDMNXKYKGFBB-ZJUUUORDSA-N 0 1 283.297 3.840 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N([C@@H](C)C(C)C)C2CC2)c1 ZINC000263806241 525632083 /nfs/dbraw/zinc/63/20/83/525632083.db2.gz MBUKFQIWUKSNEV-LBPRGKRZSA-N 0 1 285.391 3.520 20 0 CHADMN CSC[C@@H]1CCCN(Cc2nc3ccccc3s2)C1 ZINC000292386494 525651222 /nfs/dbraw/zinc/65/12/22/525651222.db2.gz KBJRRFRFFPVLLU-GFCCVEGCSA-N 0 1 292.473 3.871 20 0 CHADMN C[C@@H](N[C@H]1CC[C@@H](C)C1)c1nc(-c2cccc(F)c2)no1 ZINC000275530573 525691541 /nfs/dbraw/zinc/69/15/41/525691541.db2.gz BPPSKUZAYLWBFC-GYSYKLTISA-N 0 1 289.354 3.715 20 0 CHADMN Cc1ccc([C@@H](NCCOC(C)(C)C)c2ccccn2)cc1 ZINC000279987225 525776495 /nfs/dbraw/zinc/77/64/95/525776495.db2.gz IOBPLZGQSMRQQS-GOSISDBHSA-N 0 1 298.430 3.884 20 0 CHADMN Cc1ccoc1CN[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000266208229 525806892 /nfs/dbraw/zinc/80/68/92/525806892.db2.gz NGLDFMAYENKUIG-DOTOQJQBSA-N 0 1 271.360 3.598 20 0 CHADMN CS[C@@H](c1nc([C@@H](N)CC(C)C)no1)c1ccccc1 ZINC000339397823 525819150 /nfs/dbraw/zinc/81/91/50/525819150.db2.gz SLSWXNKBKCYDBF-QWHCGFSZSA-N 0 1 291.420 3.568 20 0 CHADMN COc1cccc(C2=CCN(Cc3cnccc3C)CC2)c1 ZINC000363517833 525857568 /nfs/dbraw/zinc/85/75/68/525857568.db2.gz OERCTVRQPWAPQM-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN Cc1ccsc1CN[C@H](C)c1ccc(Cl)cn1 ZINC000274895951 525861613 /nfs/dbraw/zinc/86/16/13/525861613.db2.gz KGYZCQAOQKIRFV-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1ccsc1[C@@H](C)NCc1cn2ccc(C)cc2n1 ZINC000268836545 525869726 /nfs/dbraw/zinc/86/97/26/525869726.db2.gz DKFMLJDMDCPDTR-CYBMUJFWSA-N 0 1 285.416 3.863 20 0 CHADMN C[C@@]12CCN(Cc3cc(Cl)cs3)C[C@@H]1C2(F)F ZINC000292849886 525912732 /nfs/dbraw/zinc/91/27/32/525912732.db2.gz TXYKWHZWFNCNEV-WDEREUQCSA-N 0 1 277.767 3.879 20 0 CHADMN Cc1ccc([C@H](O)CN2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000292491246 525972626 /nfs/dbraw/zinc/97/26/26/525972626.db2.gz RRGMKBPJRBWUTH-MSOLQXFVSA-N 0 1 296.414 3.507 20 0 CHADMN CSc1ccc(C)c(-c2nc([C@@H](N)CC(C)C)no2)c1 ZINC000339387854 525973322 /nfs/dbraw/zinc/97/33/22/525973322.db2.gz POLMAZOATSSRET-ZDUSSCGKSA-N 0 1 291.420 3.813 20 0 CHADMN Cc1cnc(C(C)(C)NC/C=C/c2ccccc2)s1 ZINC000080346742 525979721 /nfs/dbraw/zinc/97/97/21/525979721.db2.gz WVHYXYMOMSQRGA-JXMROGBWSA-N 0 1 272.417 3.990 20 0 CHADMN Cc1cnc(C2CCN([C@@H](C)c3ccccn3)CC2)s1 ZINC000277380472 525986808 /nfs/dbraw/zinc/98/68/08/525986808.db2.gz JQCZNRQRTKGEOB-ZDUSSCGKSA-N 0 1 287.432 3.787 20 0 CHADMN Cc1cnc(CN(Cc2ccccc2)[C@H](C)C2CC2)nc1 ZINC000340656959 526011941 /nfs/dbraw/zinc/01/19/41/526011941.db2.gz FLMCCYVPSJMPTO-OAHLLOKOSA-N 0 1 281.403 3.586 20 0 CHADMN COc1cccc(CNCc2ccc(Cl)s2)c1OC ZINC000070211779 526022335 /nfs/dbraw/zinc/02/23/35/526022335.db2.gz MLGFYNUQWLFSPN-UHFFFAOYSA-N 0 1 297.807 3.709 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000070093434 526032718 /nfs/dbraw/zinc/03/27/18/526032718.db2.gz RASIBYVQPGDAOX-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN Cc1cn[nH]c1CN[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000289572567 526032742 /nfs/dbraw/zinc/03/27/42/526032742.db2.gz RXZHGOBAKDWXRM-LBPRGKRZSA-N 0 1 298.415 3.692 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccc(Cl)cn2)c1 ZINC000274873648 526036075 /nfs/dbraw/zinc/03/60/75/526036075.db2.gz GFNJAFVXGNEPNX-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2cc(C)ncn2)o1 ZINC000292326130 526037972 /nfs/dbraw/zinc/03/79/72/526037972.db2.gz BTQVHCOKWFEKFT-MLGOLLRUSA-N 0 1 285.391 3.660 20 0 CHADMN Cc1cn[nH]c1CNc1ccc2nc(C3CC3)sc2c1 ZINC000289528168 526038224 /nfs/dbraw/zinc/03/82/24/526038224.db2.gz OHLMBENUANEZJF-UHFFFAOYSA-N 0 1 284.388 3.817 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N1CC[C@H](n2cccn2)C1 ZINC000291159705 526051461 /nfs/dbraw/zinc/05/14/61/526051461.db2.gz CFYPVJURMTVUCN-DOMZBBRYSA-N 0 1 275.783 3.545 20 0 CHADMN Cc1cc(-c2nc([C@@H](N)CC(C)C)no2)c(C)n1C1CC1 ZINC000339394369 526054743 /nfs/dbraw/zinc/05/47/43/526054743.db2.gz ITITUHFCGAQORX-AWEZNQCLSA-N 0 1 288.395 3.536 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)N(C)Cc1ccccn1 ZINC000264311635 526070337 /nfs/dbraw/zinc/07/03/37/526070337.db2.gz YTDHJWOPTOSSOR-LBPRGKRZSA-N 0 1 260.768 3.928 20 0 CHADMN CSc1ccc2nc(-c3cn(C)nc3C(F)F)[nH]c2c1 ZINC000359158910 526081929 /nfs/dbraw/zinc/08/19/29/526081929.db2.gz PTJJHBYPGUWCDT-UHFFFAOYSA-N 0 1 294.330 3.623 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C(=O)CCC3CC3)[nH]c2c1 ZINC000265146897 526103285 /nfs/dbraw/zinc/10/32/85/526103285.db2.gz BJGXWNANXTVTCF-MRXNPFEDSA-N 0 1 297.402 3.725 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3Cc3nccs3)[nH]c2c1 ZINC000289399776 526107292 /nfs/dbraw/zinc/10/72/92/526107292.db2.gz RXUYZVVHWQMOGG-CQSZACIVSA-N 0 1 298.415 3.665 20 0 CHADMN C[C@@H](c1cccnc1)N(C)Cc1ccc(OC(F)F)cc1 ZINC000079876287 526120114 /nfs/dbraw/zinc/12/01/14/526120114.db2.gz QYTSFXWITHHOMI-LBPRGKRZSA-N 0 1 292.329 3.876 20 0 CHADMN C[C@H](c1cccnc1)N(C)Cc1cccc(OC(F)F)c1 ZINC000064993414 526131272 /nfs/dbraw/zinc/13/12/72/526131272.db2.gz OZXRVMROICGRSC-GFCCVEGCSA-N 0 1 292.329 3.876 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1cnc2ccccn12 ZINC000337302111 526192601 /nfs/dbraw/zinc/19/26/01/526192601.db2.gz PYQQSCLHMYLJLR-ZDUSSCGKSA-N 0 1 297.427 3.907 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(Cl)s1 ZINC000250216457 526290467 /nfs/dbraw/zinc/29/04/67/526290467.db2.gz PCHXSEWHPCJMAH-WCQGTBRESA-N 0 1 299.823 3.619 20 0 CHADMN Fc1cc(-c2ccco2)ccc1CNCC1=CCCOC1 ZINC000279938812 526292921 /nfs/dbraw/zinc/29/29/21/526292921.db2.gz JEVOIWDTRRZUDO-UHFFFAOYSA-N 0 1 287.334 3.522 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000275460523 526302605 /nfs/dbraw/zinc/30/26/05/526302605.db2.gz MZBLOSBCLDPVIK-GFCCVEGCSA-N 0 1 293.773 3.582 20 0 CHADMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC000280957634 526340234 /nfs/dbraw/zinc/34/02/34/526340234.db2.gz HZRPTBIJQOQKKX-HKUYNNGSSA-N 0 1 295.382 3.527 20 0 CHADMN Fc1ccc(CN[C@H](c2cccnc2)C2CCC2)c(F)c1 ZINC000280868160 526340785 /nfs/dbraw/zinc/34/07/85/526340785.db2.gz NNWAOEFOWIREJC-KRWDZBQOSA-N 0 1 288.341 3.991 20 0 CHADMN Fc1ccccc1-c1csc(CN[C@@H]2CCSC2)n1 ZINC000279129601 526405267 /nfs/dbraw/zinc/40/52/67/526405267.db2.gz YBRSHUFAULVKRU-SNVBAGLBSA-N 0 1 294.420 3.544 20 0 CHADMN c1cc(-c2ccc(CN[C@H]3CCCc4sccc43)o2)n[nH]1 ZINC000366033205 526410723 /nfs/dbraw/zinc/41/07/23/526410723.db2.gz YRMJVFRLXYSSRR-ZDUSSCGKSA-N 0 1 299.399 3.898 20 0 CHADMN Cc1csc([C@H](C)NC/C=C/c2ccccc2)n1 ZINC000069168212 526435617 /nfs/dbraw/zinc/43/56/17/526435617.db2.gz VNUUBNDSJUZXGA-PPGNKHEKSA-N 0 1 258.390 3.816 20 0 CHADMN Cc1nnsc1CN[C@@H](C)c1cc2ccccc2s1 ZINC000293224061 526448610 /nfs/dbraw/zinc/44/86/10/526448610.db2.gz ANWKPATWYISUOX-VIFPVBQESA-N 0 1 289.429 3.912 20 0 CHADMN Cc1noc(C)c1CN(Cc1ccc(F)cc1)C(C)C ZINC000299376297 526501659 /nfs/dbraw/zinc/50/16/59/526501659.db2.gz MDLXQWZPFUAGJU-UHFFFAOYSA-N 0 1 276.355 3.841 20 0 CHADMN Cc1noc(C)c1CN[C@@H](C)c1cc(C)cc(C)c1 ZINC000130427129 526514291 /nfs/dbraw/zinc/51/42/91/526514291.db2.gz KQAMIRVUSKRDFA-LBPRGKRZSA-N 0 1 258.365 3.759 20 0 CHADMN Cc1noc(C)c1CNCc1ccc(C(C)(C)C)s1 ZINC000126785342 526515186 /nfs/dbraw/zinc/51/51/86/526515186.db2.gz AWHACUXPELVZGF-UHFFFAOYSA-N 0 1 278.421 3.940 20 0 CHADMN c1ccc2sc(CSc3nc(C4CC4)n[nH]3)nc2c1 ZINC000011470510 526521997 /nfs/dbraw/zinc/52/19/97/526521997.db2.gz WZIRQDLMDTWHSL-UHFFFAOYSA-N 0 1 288.401 3.584 20 0 CHADMN c1ccc2sc(CSc3n[nH]c(C4CC4)n3)nc2c1 ZINC000011470510 526522002 /nfs/dbraw/zinc/52/20/02/526522002.db2.gz WZIRQDLMDTWHSL-UHFFFAOYSA-N 0 1 288.401 3.584 20 0 CHADMN CC(C)(C)OCCCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000352214582 526549925 /nfs/dbraw/zinc/54/99/25/526549925.db2.gz ZZCASCOJKDNCJY-OAHLLOKOSA-N 0 1 279.428 3.532 20 0 CHADMN c1csc(-c2nc(CNC3CCCCCC3)no2)c1 ZINC000279982117 526574477 /nfs/dbraw/zinc/57/44/77/526574477.db2.gz FQFWEJLWRLYQOG-UHFFFAOYSA-N 0 1 277.393 3.611 20 0 CHADMN c1[nH]nc2c1CCC[C@@H]2NCc1cccc2ccccc21 ZINC000280032117 526589769 /nfs/dbraw/zinc/58/97/69/526589769.db2.gz YDGZYONGDQNVHO-KRWDZBQOSA-N 0 1 277.371 3.730 20 0 CHADMN Brc1cscc1CN1CCCCCC1 ZINC000347690297 526654169 /nfs/dbraw/zinc/65/41/69/526654169.db2.gz XRJWUOHMONLPTQ-UHFFFAOYSA-N 0 1 274.227 3.887 20 0 CHADMN Cc1nc(C(C)C)ccc1CN(CCO)Cc1ccccc1 ZINC000338962744 526666473 /nfs/dbraw/zinc/66/64/73/526666473.db2.gz QSCWTUHQXSRIFV-UHFFFAOYSA-N 0 1 298.430 3.508 20 0 CHADMN Cc1nocc1CN[C@@H](C)c1ccc(Br)cc1 ZINC000293189611 526694302 /nfs/dbraw/zinc/69/43/02/526694302.db2.gz HVCIUAMWROWLFI-VIFPVBQESA-N 0 1 295.180 3.596 20 0 CHADMN Cc1nocc1CN[C@H]1C[C@H](C(C)C)c2ccccc21 ZINC000339378775 526698190 /nfs/dbraw/zinc/69/81/90/526698190.db2.gz PNTYYRKUVJEYBP-SJORKVTESA-N 0 1 270.376 3.957 20 0 CHADMN Cc1nc(C)c(CN[C@H](C)c2cnn(C(C)C)c2C)s1 ZINC000276376789 526726912 /nfs/dbraw/zinc/72/69/12/526726912.db2.gz PLFBZTKTAFOTEH-SNVBAGLBSA-N 0 1 292.452 3.697 20 0 CHADMN Cc1nc(C)c([C@@H](C)NCc2cc(F)ccc2F)s1 ZINC000040445684 526745871 /nfs/dbraw/zinc/74/58/71/526745871.db2.gz SHGHIBIXAHAXFT-MRVPVSSYSA-N 0 1 282.359 3.889 20 0 CHADMN Cc1nc(CN(C)[C@@H](C)CCc2ccccc2)cs1 ZINC000340685479 526844772 /nfs/dbraw/zinc/84/47/72/526844772.db2.gz RTAYPONYCYXXCG-ZDUSSCGKSA-N 0 1 274.433 3.905 20 0 CHADMN Clc1ccc(C2CC(NCc3nccs3)C2)cc1 ZINC000041012558 526942800 /nfs/dbraw/zinc/94/28/00/526942800.db2.gz DTSJUMJFIXZTHQ-UHFFFAOYSA-N 0 1 278.808 3.832 20 0 CHADMN Cc1nc(F)ccc1CN1CCC[C@H](Nc2ccccc2)C1 ZINC000278374761 526944771 /nfs/dbraw/zinc/94/47/71/526944771.db2.gz CFRLIEBUYGYPAY-KRWDZBQOSA-N 0 1 299.393 3.606 20 0 CHADMN O=C1CCC(CN(Cc2ccccc2F)C2CC2)CC1 ZINC000289388254 526964447 /nfs/dbraw/zinc/96/44/47/526964447.db2.gz QQHKIMHRCQNZJP-UHFFFAOYSA-N 0 1 275.367 3.549 20 0 CHADMN Clc1ccccc1-c1noc(-c2ccc3cncn3c2)n1 ZINC000340648937 526985796 /nfs/dbraw/zinc/98/57/96/526985796.db2.gz SMTVNFRPYDTJTN-UHFFFAOYSA-N 0 1 296.717 3.705 20 0 CHADMN Cc1nc([C@H](C)N2C[C@@H](c3ccccc3C)C[C@H]2C)no1 ZINC000278547212 527058760 /nfs/dbraw/zinc/05/87/60/527058760.db2.gz GYFRIUZIZGHWMM-IPYPFGDCSA-N 0 1 285.391 3.625 20 0 CHADMN Cc1nc([C@H](C)NCCSc2ccccc2)cs1 ZINC000037904190 527064932 /nfs/dbraw/zinc/06/49/32/527064932.db2.gz YJMZJLNNYPSYHW-NSHDSACASA-N 0 1 278.446 3.894 20 0 CHADMN CC(=O)Nc1ccccc1CN1CCc2cc(C)ccc2C1 ZINC000336512998 527092821 /nfs/dbraw/zinc/09/28/21/527092821.db2.gz DOPKOKAGLLVORA-UHFFFAOYSA-N 0 1 294.398 3.512 20 0 CHADMN NC1(c2noc(-c3ccc(Cl)c(Cl)c3)n2)CCCC1 ZINC000041153079 527133297 /nfs/dbraw/zinc/13/32/97/527133297.db2.gz CJHQFBFDODDWLS-UHFFFAOYSA-N 0 1 298.173 3.771 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC(C)(C(C)C)CC2)[nH]1 ZINC000338606418 527149708 /nfs/dbraw/zinc/14/97/08/527149708.db2.gz KVAYVBXZHPEHCL-UHFFFAOYSA-N 0 1 299.418 3.770 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)[nH]1 ZINC000338565752 527151857 /nfs/dbraw/zinc/15/18/57/527151857.db2.gz GRAMLUKYXXLJTH-KZULUSFZSA-N 0 1 297.402 3.524 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@@H](C)CCCC(C)C)c2[nH]1 ZINC000338507131 527154521 /nfs/dbraw/zinc/15/45/21/527154521.db2.gz ZMGJACMHBSDXJO-LBPRGKRZSA-N 0 1 287.407 3.816 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3ccc(F)cc3C)c2[nH]1 ZINC000338513508 527156901 /nfs/dbraw/zinc/15/69/01/527156901.db2.gz ZVBMLIYSOXYXCG-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1ncc(CN[C@H](C)c2ccccc2C(F)(F)F)cn1 ZINC000340420178 527277307 /nfs/dbraw/zinc/27/73/07/527277307.db2.gz LSSBJURABAGONG-SNVBAGLBSA-N 0 1 295.308 3.655 20 0 CHADMN Cc1nccc(NC[C@H]2CCCSC2)c1Cl ZINC000309612216 527351647 /nfs/dbraw/zinc/35/16/47/527351647.db2.gz AMDGCEBQCFTLCF-SNVBAGLBSA-N 0 1 256.802 3.599 20 0 CHADMN Cn1ccnc1[C@H](NCc1cc2ccccc2s1)C1CC1 ZINC000340423260 527465158 /nfs/dbraw/zinc/46/51/58/527465158.db2.gz IJPLWPNXSUDVEX-MRXNPFEDSA-N 0 1 297.427 3.876 20 0 CHADMN C(CN1CCCC[C@@H]1c1nnc(C2CCC2)o1)C1CC1 ZINC000347302141 527480379 /nfs/dbraw/zinc/48/03/79/527480379.db2.gz JPFCKUCGWNMIHQ-CQSZACIVSA-N 0 1 275.396 3.664 20 0 CHADMN C(c1nnc(C2CC2)s1)N1CCC[C@H]2CCCC[C@H]21 ZINC000336197596 527496270 /nfs/dbraw/zinc/49/62/70/527496270.db2.gz GMAIBRJGWMKWQE-DGCLKSJQSA-N 0 1 277.437 3.570 20 0 CHADMN Cc1ncsc1CN(C)[C@@H](C)c1cccc(F)c1 ZINC000066565620 527501142 /nfs/dbraw/zinc/50/11/42/527501142.db2.gz DBXHJAOURUHTML-NSHDSACASA-N 0 1 264.369 3.784 20 0 CHADMN Cc1ncsc1CN[C@H](C)c1ccc(F)c(F)c1 ZINC000071212385 527511918 /nfs/dbraw/zinc/51/19/18/527511918.db2.gz HBHAFQLNPLCQFU-MRVPVSSYSA-N 0 1 268.332 3.581 20 0 CHADMN OCCCCCN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000265223224 527534791 /nfs/dbraw/zinc/53/47/91/527534791.db2.gz HHPKYUNSTQROBI-OAHLLOKOSA-N 0 1 299.867 3.593 20 0 CHADMN OC[C@@H](NCc1ccc(C2CCC2)cc1)c1ccsc1 ZINC000339353502 527582134 /nfs/dbraw/zinc/58/21/34/527582134.db2.gz HPNNCFTTYTZVCW-QGZVFWFLSA-N 0 1 287.428 3.839 20 0 CHADMN OC[C@H](NCc1ccccc1C(F)(F)F)c1ccccc1 ZINC000039793182 527609307 /nfs/dbraw/zinc/60/93/07/527609307.db2.gz ANJCIUFPPUCOJW-HNNXBMFYSA-N 0 1 295.304 3.529 20 0 CHADMN Cn1nccc1[C@H]1CCCCN1Cc1ccc2c(c1)CCC2 ZINC000337284725 527629795 /nfs/dbraw/zinc/62/97/95/527629795.db2.gz JQBGIONKHKOPIN-LJQANCHMSA-N 0 1 295.430 3.636 20 0 CHADMN FC(F)Oc1ccc(Cl)cc1CNC1CC(F)(F)C1 ZINC000277366620 527696128 /nfs/dbraw/zinc/69/61/28/527696128.db2.gz BFIHQXIEPFWYML-UHFFFAOYSA-N 0 1 297.679 3.829 20 0 CHADMN CC(C)(C)C[C@H]1CCCN1Cc1ccn(C(F)F)n1 ZINC000347693532 527703934 /nfs/dbraw/zinc/70/39/34/527703934.db2.gz XBSKIILTOWKQSR-GFCCVEGCSA-N 0 1 271.355 3.679 20 0 CHADMN CCC1CCC(C(=O)Nc2ccc3nc[nH]c3c2)CC1 ZINC000352626621 527825217 /nfs/dbraw/zinc/82/52/17/527825217.db2.gz ONXZJIAVCBLQIR-UHFFFAOYSA-N 0 1 271.364 3.718 20 0 CHADMN CC(C)CC[C@H]1CCCCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC000352237545 527854490 /nfs/dbraw/zinc/85/44/90/527854490.db2.gz LPSYACVGPYMREH-CQSZACIVSA-N 0 1 289.423 3.718 20 0 CHADMN CC(C)OC1CC(N2CCc3cc(Cl)ccc3C2)C1 ZINC000334725730 527879185 /nfs/dbraw/zinc/87/91/85/527879185.db2.gz DCSJLEQIVIHQQV-UHFFFAOYSA-N 0 1 279.811 3.654 20 0 CHADMN CC1(C2CC2)CCN(Cc2ccncc2Cl)CC1 ZINC000352176990 527905084 /nfs/dbraw/zinc/90/50/84/527905084.db2.gz WUGRIRRJAAZFIP-UHFFFAOYSA-N 0 1 264.800 3.747 20 0 CHADMN CC(C)CN(CC(C)(C)C)C(=O)c1cccc2n[nH]cc21 ZINC000355881483 527925802 /nfs/dbraw/zinc/92/58/02/527925802.db2.gz PQZXORZSJMLJEP-UHFFFAOYSA-N 0 1 287.407 3.707 20 0 CHADMN CCCN(Cc1nc(C)cs1)[C@H]1C[C@H](OCC)C1(C)C ZINC000353742513 528153897 /nfs/dbraw/zinc/15/38/97/528153897.db2.gz AQOKDYFMQPMYBP-KBPBESRZSA-N 0 1 296.480 3.867 20 0 CHADMN CC(C)Oc1ccc(CN[C@H]2CCCc3occc32)cn1 ZINC000192682492 528163778 /nfs/dbraw/zinc/16/37/78/528163778.db2.gz YIBRMNOWSGGLAE-HNNXBMFYSA-N 0 1 286.375 3.629 20 0 CHADMN CCC(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000334773664 528306722 /nfs/dbraw/zinc/30/67/22/528306722.db2.gz ZUTAEAFRNKAIOK-ZDUSSCGKSA-N 0 1 291.782 3.680 20 0 CHADMN CC(C)[C@@H]1CCCC[C@H]1N[C@@H](C)c1nc(C2CC2)no1 ZINC000331549772 528655603 /nfs/dbraw/zinc/65/56/03/528655603.db2.gz RPQYGDMQAPTTTP-FPMFFAJLSA-N 0 1 277.412 3.812 20 0 CHADMN CCCc1nc(CN(CC)[C@@H]2CCOC(C)(C)C2)cs1 ZINC000351951151 528744137 /nfs/dbraw/zinc/74/41/37/528744137.db2.gz YRNWKXXPMJMUTP-CQSZACIVSA-N 0 1 296.480 3.875 20 0 CHADMN CCCc1nc(CN2CC[C@@H](C)[C@@H](C)C2)cs1 ZINC000347575667 528748216 /nfs/dbraw/zinc/74/82/16/528748216.db2.gz XRKLXBPWNHWFLM-NEPJUHHUSA-N 0 1 252.427 3.574 20 0 CHADMN CCN(Cc1ccccc1Cl)C[C@H]1CC[C@@H](C)O1 ZINC000354899747 528838734 /nfs/dbraw/zinc/83/87/34/528838734.db2.gz VUHYKVHERQAEKX-TZMCWYRMSA-N 0 1 267.800 3.729 20 0 CHADMN CCCC[C@@H](NCc1ccnc(N(C)C)n1)c1ccccc1 ZINC000344292182 528856522 /nfs/dbraw/zinc/85/65/22/528856522.db2.gz FSYYFYPGGFPVBJ-QGZVFWFLSA-N 0 1 298.434 3.564 20 0 CHADMN CCc1cccc(Cl)c1CNCc1ccc(C)nc1 ZINC000353762253 529172354 /nfs/dbraw/zinc/17/23/54/529172354.db2.gz FKYNQCUXDMDWTN-UHFFFAOYSA-N 0 1 274.795 3.896 20 0 CHADMN CCSc1cccc(CN2CCC[C@@H]2CF)c1 ZINC000354524699 529250479 /nfs/dbraw/zinc/25/04/79/529250479.db2.gz YAXVYGWEVHWMGL-CYBMUJFWSA-N 0 1 253.386 3.733 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1Cc1cnn(C(C)C)c1 ZINC000344903280 529330481 /nfs/dbraw/zinc/33/04/81/529330481.db2.gz QUTXUKNEJMNZJA-SFHVURJKSA-N 0 1 283.419 3.801 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1ncc(CSC)s1 ZINC000353516275 529338069 /nfs/dbraw/zinc/33/80/69/529338069.db2.gz GOGSRBPEROCFPL-GHMZBOCLSA-N 0 1 270.467 3.769 20 0 CHADMN CC[C@H]1c2ccsc2CCN1Cc1cnccc1C ZINC000353443437 529345544 /nfs/dbraw/zinc/34/55/44/529345544.db2.gz CBMFNHCDKOVPGC-HNNXBMFYSA-N 0 1 272.417 3.961 20 0 CHADMN CC[C@H](CNc1cc(C)ccn1)Oc1ccccc1F ZINC000301652177 529371329 /nfs/dbraw/zinc/37/13/29/529371329.db2.gz QOESAOQZMXMVAL-CYBMUJFWSA-N 0 1 274.339 3.799 20 0 CHADMN CC[C@@H](C)[N@@H+](C)Cc1ccccc1Br ZINC000049595435 567893362 /nfs/dbraw/zinc/89/33/62/567893362.db2.gz BKRXHPLZFYROTM-SNVBAGLBSA-N 0 1 256.187 3.679 20 0 CHADMN CC[C@@H](C)N(C)Cc1ccccc1Br ZINC000049595435 567893363 /nfs/dbraw/zinc/89/33/63/567893363.db2.gz BKRXHPLZFYROTM-SNVBAGLBSA-N 0 1 256.187 3.679 20 0 CHADMN CCC[C@H](C)N1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000249274907 570360622 /nfs/dbraw/zinc/36/06/22/570360622.db2.gz KMVGQHDUPRMTMK-AAEUAGOBSA-N 0 1 296.436 3.645 20 0 CHADMN C[C@H]1CCCN(Cc2cccc(F)c2Br)C1 ZINC000158008244 570395127 /nfs/dbraw/zinc/39/51/27/570395127.db2.gz CGLLNCNATQEKMH-JTQLQIEISA-N 0 1 286.188 3.820 20 0 CHADMN C[C@H]1C[N@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)Cc2ccccc21 ZINC000736806038 599709556 /nfs/dbraw/zinc/70/95/56/599709556.db2.gz GXCAEUJYOWQGPF-SJCJKPOMSA-N 0 1 299.345 3.571 20 0 CHADMN Cc1cc(C[N@@H+](C)CCC2CCCCC2)oc1C(=O)[O-] ZINC000572296291 599719760 /nfs/dbraw/zinc/71/97/60/599719760.db2.gz XDGBTLODYKAZCZ-UHFFFAOYSA-N 0 1 279.380 3.688 20 0 CHADMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1cc(C)c(C(=O)[O-])o1)C1CC1 ZINC000652410147 599814685 /nfs/dbraw/zinc/81/46/85/599814685.db2.gz FFSDZBCOQNRSKB-ZYHUDNBSSA-N 0 1 279.380 3.685 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCC[C@H]2CCc2ccccc2)c1 ZINC000565485118 599848345 /nfs/dbraw/zinc/84/83/45/599848345.db2.gz ABIQDRSUPUGFGT-INIZCTEOSA-N 0 1 299.370 3.575 20 0 CHADMN C[C@@H](C[N@@H+](Cc1csc2ccccc12)C1CC1)C(=O)[O-] ZINC000736580970 599948303 /nfs/dbraw/zinc/94/83/03/599948303.db2.gz GMDLUTJYTDQROH-NSHDSACASA-N 0 1 289.400 3.586 20 0 CHADMN CC[N@@H+](Cc1cccs1)Cc1ccc(F)cc1C(=O)[O-] ZINC000071265000 600082106 /nfs/dbraw/zinc/08/21/06/600082106.db2.gz VYXUKJLZKHQYRJ-UHFFFAOYSA-N 0 1 293.363 3.608 20 0 CHADMN CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2CCCC(=O)[O-])cc1 ZINC000116358824 600224757 /nfs/dbraw/zinc/22/47/57/600224757.db2.gz ICVBMQAHHNMZOE-INIZCTEOSA-N 0 1 289.419 3.986 20 0 CHADMN C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCCC(=O)[O-] ZINC000083662960 600226850 /nfs/dbraw/zinc/22/68/50/600226850.db2.gz OLCRDTGUDNEYGK-JTQLQIEISA-N 0 1 289.297 3.563 20 0 CHADMN CC[N@@H+](CCCC(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000737100658 600318793 /nfs/dbraw/zinc/31/87/93/600318793.db2.gz DROOBANPOHCLFL-UHFFFAOYSA-N 0 1 297.398 3.963 20 0 CHADMN C[N@@H+](Cc1ccccc1)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737491715 600396802 /nfs/dbraw/zinc/39/68/02/600396802.db2.gz GYRNINVYSSKKBE-HNNXBMFYSA-N 0 1 289.762 3.598 20 0 CHADMN C[C@H](C[N@@H+](CCc1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000572728912 600454145 /nfs/dbraw/zinc/45/41/45/600454145.db2.gz GGSZYMYPPMIXCD-CQSZACIVSA-N 0 1 297.398 3.567 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000519637616 600629572 /nfs/dbraw/zinc/62/95/72/600629572.db2.gz DFGPFPFOPBTXND-WBMJQRKESA-N 0 1 299.370 3.664 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000577857154 600629659 /nfs/dbraw/zinc/62/96/59/600629659.db2.gz RQYWQZWRLFHGRZ-IPYPFGDCSA-N 0 1 299.370 3.917 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000577857157 600630055 /nfs/dbraw/zinc/63/00/55/600630055.db2.gz RQYWQZWRLFHGRZ-VNHYZAJKSA-N 0 1 299.370 3.917 20 0 CHADMN CC(C)C[C@@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000516872859 600718316 /nfs/dbraw/zinc/71/83/16/600718316.db2.gz RSCNQGUCAIBEKE-ZDUSSCGKSA-N 0 1 279.380 3.769 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccoc2C(=O)[O-])c1C ZINC000514943738 600965569 /nfs/dbraw/zinc/96/55/69/600965569.db2.gz KZTJKXPYARAHCD-INIZCTEOSA-N 0 1 299.370 3.932 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000652390719 600968375 /nfs/dbraw/zinc/96/83/75/600968375.db2.gz BHGPUFDTMHCOLL-UKRRQHHQSA-N 0 1 299.370 3.603 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])o2)CC[C@H]1c1ccccc1 ZINC000568067228 600975076 /nfs/dbraw/zinc/97/50/76/600975076.db2.gz PGHBEGKVSWYKAM-XJKSGUPXSA-N 0 1 299.370 3.603 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccoc2C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000652427826 600975154 /nfs/dbraw/zinc/97/51/54/600975154.db2.gz QCPKIWXPNGJJNJ-CJNGLKHVSA-N 0 1 299.370 3.603 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H]1c1ccsc1 ZINC000583939804 600988175 /nfs/dbraw/zinc/98/81/75/600988175.db2.gz DAOHIDFPTLLJDG-STQMWFEESA-N 0 1 267.394 3.528 20 0 CHADMN C/C(=C/C[N@H+]1CCC[C@H]1c1ccccc1Cl)C(=O)[O-] ZINC000825740936 601052346 /nfs/dbraw/zinc/05/23/46/601052346.db2.gz FERXAQQLPTVHSL-MSKHEQNASA-N 0 1 279.767 3.508 20 0 CHADMN C/C(=C/C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000825741933 601053850 /nfs/dbraw/zinc/05/38/50/601053850.db2.gz SYNKXBIKFWKVRW-HOFZKYPUSA-N 0 1 298.386 3.726 20 0 CHADMN C/C(=C\C[N@H+]1CCCC[C@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000825741150 601171992 /nfs/dbraw/zinc/17/19/92/601171992.db2.gz IXWYBOXVNFBWME-DKGMDFAASA-N 0 1 273.376 3.553 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000577957729 601411114 /nfs/dbraw/zinc/41/11/14/601411114.db2.gz FWEPGJULLGKIKS-GFCCVEGCSA-N 0 1 287.359 3.733 20 0 CHADMN C[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000235655552 601618498 /nfs/dbraw/zinc/61/84/98/601618498.db2.gz KCYRWXPDIOAHHD-WCQYABFASA-N 0 1 279.355 3.534 20 0 CHADMN C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000235363395 601618542 /nfs/dbraw/zinc/61/85/42/601618542.db2.gz KCYRWXPDIOAHHD-DGCLKSJQSA-N 0 1 279.355 3.534 20 0 CHADMN CC(C)C[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000396960057 601624955 /nfs/dbraw/zinc/62/49/55/601624955.db2.gz YNDKQDLUYKWYGS-ZDUSSCGKSA-N 0 1 279.355 3.534 20 0 CHADMN C[C@@H]1c2ccccc2C[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000828528510 601649028 /nfs/dbraw/zinc/64/90/28/601649028.db2.gz WEYMGRXISRVFHQ-LLVKDONJSA-N 0 1 285.318 3.601 20 0 CHADMN C[C@@H]1c2ccccc2C[N@@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000828528510 601649029 /nfs/dbraw/zinc/64/90/29/601649029.db2.gz WEYMGRXISRVFHQ-LLVKDONJSA-N 0 1 285.318 3.601 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000833032425 601649623 /nfs/dbraw/zinc/64/96/23/601649623.db2.gz ZSRFVFKRVBFRBS-SNVBAGLBSA-N 0 1 287.384 3.832 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1Cc2ccccc2[C@H]1C ZINC000833032425 601649626 /nfs/dbraw/zinc/64/96/26/601649626.db2.gz ZSRFVFKRVBFRBS-SNVBAGLBSA-N 0 1 287.384 3.832 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccsc2C(=O)[O-])Cc2ccccc21 ZINC000828463823 601804301 /nfs/dbraw/zinc/80/43/01/601804301.db2.gz RIMZPVMRJCKEHU-LLVKDONJSA-N 0 1 287.384 3.566 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])s1)C1CCCCC1 ZINC000109601434 601940062 /nfs/dbraw/zinc/94/00/62/601940062.db2.gz AVVRENXSOMKCDU-UHFFFAOYSA-N 0 1 267.394 3.601 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000578875879 601948868 /nfs/dbraw/zinc/94/88/68/601948868.db2.gz ZUFXVFXQKQWLHI-LBPRGKRZSA-N 0 1 289.400 3.682 20 0 CHADMN C[C@@H]1CCC[N@H+]1[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000568060374 602046532 /nfs/dbraw/zinc/04/65/32/602046532.db2.gz BPRGXAKUUDCQEX-PELKAZGASA-N 0 1 288.174 3.603 20 0 CHADMN Cc1ccc(C)c([C@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])o2)c1 ZINC000832926360 602330930 /nfs/dbraw/zinc/33/09/30/602330930.db2.gz RVYLWGSIQYTFCX-MRXNPFEDSA-N 0 1 299.370 3.932 20 0 CHADMN Cc1ccc(C[C@H](C)Nc2ccc(C(=O)[O-])c(C)[nH+]2)s1 ZINC000147557675 604460678 /nfs/dbraw/zinc/46/06/78/604460678.db2.gz MDYDRGOGPGGSBT-VIFPVBQESA-N 0 1 290.388 3.501 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@@H+](Cc1cc3ccccc3o1)C2 ZINC000833326090 604674272 /nfs/dbraw/zinc/67/42/72/604674272.db2.gz HWRYSNCXCJFGPP-UHFFFAOYSA-N 0 1 293.322 3.647 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@H+](Cc1cc3ccccc3o1)C2 ZINC000833326090 604674274 /nfs/dbraw/zinc/67/42/74/604674274.db2.gz HWRYSNCXCJFGPP-UHFFFAOYSA-N 0 1 293.322 3.647 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC000383615401 604749678 /nfs/dbraw/zinc/74/96/78/604749678.db2.gz GRCZDWYSNNLFMU-GFCCVEGCSA-N 0 1 287.334 3.717 20 0 CHADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000135039149 604941263 /nfs/dbraw/zinc/94/12/63/604941263.db2.gz RCGOBTMHIUHGII-CYBMUJFWSA-N 0 1 295.810 3.663 20 0 CHADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CCCCC(F)(F)F)C1 ZINC000652498758 604944783 /nfs/dbraw/zinc/94/47/83/604944783.db2.gz RYPYELRVEHMPJN-NSHDSACASA-N 0 1 295.345 3.542 20 0 CHADMN CC(C)[N@@H+](Cc1ccccc1)Cc1ccccc1CC(=O)[O-] ZINC000309576584 605062171 /nfs/dbraw/zinc/06/21/71/605062171.db2.gz MCPKWJJABMBUFW-UHFFFAOYSA-N 0 1 297.398 3.724 20 0 CHADMN CC[C@H](C)[C@H](C)[N@@H+](Cc1ccccc1CC(=O)[O-])C1CC1 ZINC000833638094 605068448 /nfs/dbraw/zinc/06/84/48/605068448.db2.gz JNQULRVVPHIBED-KBPBESRZSA-N 0 1 289.419 3.713 20 0 CHADMN O=C([O-])Nc1cccc(C[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000834269298 605601116 /nfs/dbraw/zinc/60/11/16/605601116.db2.gz RZGCYWAHMVJGOK-CQSZACIVSA-N 0 1 286.331 3.707 20 0 CHADMN Cc1cccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])s2)c1C ZINC001600531197 970822910 /nfs/dbraw/zinc/82/29/10/970822910.db2.gz FRDUZFCNAIJLAV-UHFFFAOYSA-N 0 1 289.400 3.695 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000086784238 949065639 /nfs/dbraw/zinc/06/56/39/949065639.db2.gz KAQUJXHASBHCKZ-HNNXBMFYSA-N 0 1 299.773 3.556 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1coc2ccccc12 ZINC000161121626 949384265 /nfs/dbraw/zinc/38/42/65/949384265.db2.gz MSCYZEYKSWTIFP-AWEZNQCLSA-N 0 1 287.359 3.652 20 0 CHADMN C[C@@H]1CCC[C@@H](C[N@H+]2CCCC[C@H]2CCC(=O)[O-])C1 ZINC000251719692 950016315 /nfs/dbraw/zinc/01/63/15/950016315.db2.gz IMSMNNKZHRKCDA-KFWWJZLASA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@H](c1cccc(F)c1)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000316160153 950869564 /nfs/dbraw/zinc/86/95/64/950869564.db2.gz WKIOZQKJMKOBAC-SJCJKPOMSA-N 0 1 299.345 3.571 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2cccc(C)c2C)n1 ZINC000127222719 1125459719 /nfs/dbraw/zinc/45/97/19/1125459719.db2.gz JACGFODTTDTAOX-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN C[C@@H](C[N@@H+](C)C1(C(=O)[O-])CCCCC1)C1CCCCC1 ZINC000380760665 971715542 /nfs/dbraw/zinc/71/55/42/971715542.db2.gz ODVKVJHSCQBYIA-AWEZNQCLSA-N 0 1 281.440 3.922 20 0 CHADMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2ccc(C3CC3)c(C3CC3)c2)C1 ZINC001595164716 952204098 /nfs/dbraw/zinc/20/40/98/952204098.db2.gz GZMOJMUPVGFZMW-MRXNPFEDSA-N 0 1 299.414 3.738 20 0 CHADMN O=C([O-])C[N@@H+](C1CC1)[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000430680380 953501885 /nfs/dbraw/zinc/50/18/85/953501885.db2.gz SGLHUXGFKVGSDG-HZPDHXFCSA-N 0 1 279.424 3.675 20 0 CHADMN C[C@H]1C[C@H](CC[N@H+]2CCC[C@H](CC(=O)[O-])C2)C[C@@H](C)C1 ZINC000532881977 953569150 /nfs/dbraw/zinc/56/91/50/953569150.db2.gz SCOUXGHSUODCLJ-FXUDXRNXSA-N 0 1 281.440 3.636 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@@H+](CC(=O)[O-])C1CCC1 ZINC000656101880 954298790 /nfs/dbraw/zinc/29/87/90/954298790.db2.gz XDDMYQLEVQYLAL-ZDUSSCGKSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](C)CSc1ccccc1C ZINC001589441032 954715317 /nfs/dbraw/zinc/71/53/17/954715317.db2.gz PIUNKTICNFWLOR-JSGCOSHPSA-N 0 1 295.448 3.518 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@H+]1CCCC(=O)[O-] ZINC000880592421 956236114 /nfs/dbraw/zinc/23/61/14/956236114.db2.gz SWXBMCHAQQYYQV-UKRRQHHQSA-N 0 1 275.392 3.508 20 0 CHADMN O=C([O-])[C@H]1CCC[N@H+]1CC1CCC2(CCCCC2)CC1 ZINC000901454217 956316247 /nfs/dbraw/zinc/31/62/47/956316247.db2.gz RMSIPEDTLWUSCE-OAHLLOKOSA-N 0 1 279.424 3.676 20 0 CHADMN CC1(C)c2ccccc2CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC001589238536 956849496 /nfs/dbraw/zinc/84/94/96/956849496.db2.gz VFJVXNHVTVAJBH-UHFFFAOYSA-N 0 1 295.382 3.678 20 0 CHADMN C[C@@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)[C@@H]1c1ccccc1 ZINC000903706856 956901588 /nfs/dbraw/zinc/90/15/88/956901588.db2.gz HAXAQWKKJYRKDN-ZBFHGGJFSA-N 0 1 287.403 3.715 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000923247796 957105941 /nfs/dbraw/zinc/10/59/41/957105941.db2.gz HTLLATBQKTZXSA-AWEZNQCLSA-N 0 1 279.424 3.534 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000080992449 957774922 /nfs/dbraw/zinc/77/49/22/957774922.db2.gz NNXOTVBPNTUPRY-UONOGXRCSA-N 0 1 255.402 3.532 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000083663083 957831524 /nfs/dbraw/zinc/83/15/24/957831524.db2.gz SLLGOSPEGVLMGS-JTQLQIEISA-N 0 1 289.297 3.563 20 0 CHADMN Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000086724965 957976558 /nfs/dbraw/zinc/97/65/58/957976558.db2.gz HTECFFLSZDWVPE-CQSZACIVSA-N 0 1 283.371 3.886 20 0 CHADMN CCC(CC)C[N@@H+](CC)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000091781164 958151779 /nfs/dbraw/zinc/15/17/79/958151779.db2.gz VVBZGVJTOWIPSQ-LLVKDONJSA-N 0 1 267.369 3.797 20 0 CHADMN C[N@@H+](CCCC(=O)[O-])[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000097902116 958351947 /nfs/dbraw/zinc/35/19/47/958351947.db2.gz KRVLGFLMYHKFPJ-HZPDHXFCSA-N 0 1 275.392 3.509 20 0 CHADMN Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001594382846 958649482 /nfs/dbraw/zinc/64/94/82/958649482.db2.gz JYXPKQDSTIKDLO-KBXCAEBGSA-N 0 1 297.398 3.691 20 0 CHADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC1CCC(C(C)(C)C)CC1 ZINC000130304651 958729357 /nfs/dbraw/zinc/72/93/57/958729357.db2.gz WVSSQMXNPKXDDE-URGYJCLVSA-N 0 1 281.440 3.634 20 0 CHADMN Cc1csc(CSc2nc(-c3ccccc3)n[nH]2)n1 ZINC000128773166 1125468887 /nfs/dbraw/zinc/46/88/87/1125468887.db2.gz YTRLJOYVVXWALA-UHFFFAOYSA-N 0 1 288.401 3.529 20 0 CHADMN Cc1[nH+]c(N[C@@H]2CCCc3sccc32)ccc1C(=O)[O-] ZINC000147535985 959003934 /nfs/dbraw/zinc/00/39/34/959003934.db2.gz GOYSFPJJONRNMK-GFCCVEGCSA-N 0 1 288.372 3.639 20 0 CHADMN CC[N@@H+](Cc1cc(C(=O)[O-])sc1C)C1CCCCC1 ZINC000155947145 959043466 /nfs/dbraw/zinc/04/34/66/959043466.db2.gz NKXYUOLGKQOBKP-UHFFFAOYSA-N 0 1 281.421 3.909 20 0 CHADMN Cc1c(Cl)cccc1C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC001594263164 959719137 /nfs/dbraw/zinc/71/91/37/959719137.db2.gz YPPMFSZQFYMTPY-UHFFFAOYSA-N 0 1 283.799 3.581 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000213375312 959721596 /nfs/dbraw/zinc/72/15/96/959721596.db2.gz UVKRNHOSVKPIGG-LLVKDONJSA-N 0 1 267.394 3.601 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@H+]2[C@H](C)CCC[C@@H]2C(=O)[O-])C1 ZINC001573716130 959870518 /nfs/dbraw/zinc/87/05/18/959870518.db2.gz OKKJIXNKQZRSOP-KBUPBQIOSA-N 0 1 267.413 3.530 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])o1)[C@@H](C)c1ccccc1 ZINC001140948437 960507849 /nfs/dbraw/zinc/50/78/49/960507849.db2.gz HKKZZUJSLVFOTL-ZDUSSCGKSA-N 0 1 287.359 3.949 20 0 CHADMN C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC001603286907 972527023 /nfs/dbraw/zinc/52/70/23/972527023.db2.gz NSBSDWUYJORVNO-GFCCVEGCSA-N 0 1 287.334 3.717 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000252557347 961274499 /nfs/dbraw/zinc/27/44/99/961274499.db2.gz UBWIIXLBEUZTCR-AGIUHOORSA-N 0 1 277.364 3.551 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000252596143 961276453 /nfs/dbraw/zinc/27/64/53/961276453.db2.gz HZCYKVMRKUPKRG-PBFPGSCMSA-N 0 1 283.371 3.696 20 0 CHADMN CC[C@]1(C)CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001329675240 961296234 /nfs/dbraw/zinc/29/62/34/961296234.db2.gz FPQDEGJKFRKIPM-GDBMZVCRSA-N 0 1 295.810 3.978 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC001588797444 961406314 /nfs/dbraw/zinc/40/63/14/961406314.db2.gz NWIGEEHWPBGPMM-GDBMZVCRSA-N 0 1 267.413 3.698 20 0 CHADMN C[N@@H+](Cc1ccc(C2CCC2)cc1)C(C)(C)CC(=O)[O-] ZINC001331967897 961444635 /nfs/dbraw/zinc/44/46/35/961444635.db2.gz UJMUSMKXHDFSRM-UHFFFAOYSA-N 0 1 275.392 3.639 20 0 CHADMN C[N@@H+](CC1CCC(F)(F)CC1)[C@H](C(=O)[O-])c1ccccc1 ZINC001332063195 961456021 /nfs/dbraw/zinc/45/60/21/961456021.db2.gz ZLTYMLFNCNKMRY-AWEZNQCLSA-N 0 1 297.345 3.570 20 0 CHADMN C[N@@H+](CC1CCC(F)(F)CC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001332063197 961456197 /nfs/dbraw/zinc/45/61/97/961456197.db2.gz ZLTYMLFNCNKMRY-CQSZACIVSA-N 0 1 297.345 3.570 20 0 CHADMN C[C@@H]1CCN(Cc2ncc(-c3ccc(F)cc3)o2)C[C@@H]1C ZINC000536589992 1125478414 /nfs/dbraw/zinc/47/84/14/1125478414.db2.gz WSANHLMIXXJGDC-OLZOCXBDSA-N 0 1 288.366 3.959 20 0 CHADMN Cc1n[nH]c(C)c1CN(Cc1ccc(C)c(C)c1)C1CC1 ZINC000130033868 1125478961 /nfs/dbraw/zinc/47/89/61/1125478961.db2.gz KIWLHSICERVOEP-UHFFFAOYSA-N 0 1 283.419 3.808 20 0 CHADMN C[C@H](NCc1cnc(C2CCC2)s1)c1cccnc1 ZINC000130118306 1125480225 /nfs/dbraw/zinc/48/02/25/1125480225.db2.gz BMZXWLXSQIOYCP-NSHDSACASA-N 0 1 273.405 3.656 20 0 CHADMN CCCc1nc(CN2CC[C@H](CC3CC3)C2)cs1 ZINC000339684050 1117953822 /nfs/dbraw/zinc/95/38/22/1117953822.db2.gz PXRAHKZLWLYMMG-CYBMUJFWSA-N 0 1 264.438 3.718 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1csc(-c2ccccn2)n1 ZINC000111691242 1125482772 /nfs/dbraw/zinc/48/27/72/1125482772.db2.gz SFOMIHYZMHJHPF-STQMWFEESA-N 0 1 287.432 3.968 20 0 CHADMN C[C@H]([NH2+][C@@H]1CC=CCC1)c1cc(Cl)ccc1[O-] ZINC000186056947 1117979383 /nfs/dbraw/zinc/97/93/83/1117979383.db2.gz JHXIDECXTCITMV-CMPLNLGQSA-N 0 1 251.757 3.805 20 0 CHADMN CCC[C@H](CN[C@@H](C)c1nc2c(s1)CCCC2)OCC ZINC000624049630 1117976735 /nfs/dbraw/zinc/97/67/35/1117976735.db2.gz MMGUFWMMJFWCEZ-QWHCGFSZSA-N 0 1 296.480 3.878 20 0 CHADMN CCC(F)(F)CN[C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000624148925 1117990270 /nfs/dbraw/zinc/99/02/70/1117990270.db2.gz RHWUVYJMTVPNDI-NILFDRSVSA-N 0 1 283.362 3.822 20 0 CHADMN Cc1ccc(CNCc2cnc(C3CC3)s2)cc1F ZINC000133692085 1125484789 /nfs/dbraw/zinc/48/47/89/1125484789.db2.gz QQJWOAPKOUWXJR-UHFFFAOYSA-N 0 1 276.380 3.758 20 0 CHADMN Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ncc(C(=O)[O-])s1 ZINC000314600253 963775292 /nfs/dbraw/zinc/77/52/92/963775292.db2.gz CRARYQNRDJCSKR-WDEREUQCSA-N 0 1 290.388 3.562 20 0 CHADMN C[C@H](C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1CCCCC1 ZINC000315338979 963885038 /nfs/dbraw/zinc/88/50/38/963885038.db2.gz BUIVBDOMBOTMGL-IWCQGFGOSA-N 0 1 293.451 3.921 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1CCCCCC1 ZINC000032111927 967501691 /nfs/dbraw/zinc/50/16/91/967501691.db2.gz KKCXOYLTAVMFAS-UHFFFAOYSA-N 0 1 261.365 3.539 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000094525602 967600468 /nfs/dbraw/zinc/60/04/68/967600468.db2.gz RNSGFRTWCPKFKW-SFHVURJKSA-N 0 1 287.403 3.641 20 0 CHADMN C[C@@H]1[C@H](C)C[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)[C@H]1C ZINC000399526212 973225233 /nfs/dbraw/zinc/22/52/33/973225233.db2.gz FESBEGWGKXHYPZ-MXWKQRLJSA-N 0 1 281.783 3.515 20 0 CHADMN O=C([O-])CCC[N@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC001606171813 973420546 /nfs/dbraw/zinc/42/05/46/973420546.db2.gz ISYGBUVEBWCBAJ-AWEZNQCLSA-N 0 1 281.783 3.732 20 0 CHADMN C[N@@H+](Cc1ccccc1C(=O)[O-])CC1(c2ccccc2)CC1 ZINC000514791576 974292462 /nfs/dbraw/zinc/29/24/62/974292462.db2.gz SZSJTMHUSIIRKV-UHFFFAOYSA-N 0 1 295.382 3.548 20 0 CHADMN Cc1oc(C[N@H+](C)[C@H]2CCCc3ccccc32)cc1C(=O)[O-] ZINC000516187821 974304592 /nfs/dbraw/zinc/30/45/92/974304592.db2.gz IUPDCVPTCSLVQN-KRWDZBQOSA-N 0 1 299.370 3.796 20 0 CHADMN C[C@H]1CC(C)(C)C[N@H+]1[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000520823462 974341501 /nfs/dbraw/zinc/34/15/01/974341501.db2.gz GVJSFMLKNFWYOY-TVQRCGJNSA-N 0 1 299.773 3.725 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000530176574 974363938 /nfs/dbraw/zinc/36/39/38/974363938.db2.gz UMGBCACWLFVFCA-GNXNZQSNSA-N 0 1 297.345 3.698 20 0 CHADMN CN(CCC(F)(F)F)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001167268108 1118135205 /nfs/dbraw/zinc/13/52/05/1118135205.db2.gz UJVIMAULVZSELI-RYUDHWBXSA-N 0 1 293.279 3.920 20 0 CHADMN Cc1oc(C[N@H+](C)Cc2ccc(C)cc2C)cc1C(=O)[O-] ZINC000565542851 974583675 /nfs/dbraw/zinc/58/36/75/974583675.db2.gz JGIIANIVQNXVLH-UHFFFAOYSA-N 0 1 287.359 3.535 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000565662690 974586255 /nfs/dbraw/zinc/58/62/55/974586255.db2.gz JBGXCRBWCFQKOZ-CHWSQXEVSA-N 0 1 279.380 3.859 20 0 CHADMN CC[C@@]1(C)CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2C)C1 ZINC000566358829 974607362 /nfs/dbraw/zinc/60/73/62/974607362.db2.gz MNDKDJABHDDNSC-RDJZCZTQSA-N 0 1 275.392 3.633 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+]([C@H](CC(C)C)C(=O)[O-])C1 ZINC000566364101 974610677 /nfs/dbraw/zinc/61/06/77/974610677.db2.gz YNLWYQPFWWFEOB-BFYDXBDKSA-N 0 1 289.419 3.672 20 0 CHADMN O=C([O-])c1cccc(C[N@@H+](C2CC2)C2CCCC2)c1Cl ZINC000566801750 974622247 /nfs/dbraw/zinc/62/22/47/974622247.db2.gz FSSJNGMUOCDJMV-UHFFFAOYSA-N 0 1 293.794 3.945 20 0 CHADMN CCC(C)(C)c1ccc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000568874574 974679702 /nfs/dbraw/zinc/67/97/02/974679702.db2.gz XYEVZEZAZUWAGG-GOSISDBHSA-N 0 1 289.419 3.671 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000569981684 974702781 /nfs/dbraw/zinc/70/27/81/974702781.db2.gz NQMCHCQRSIPZJJ-CABCVRRESA-N 0 1 281.440 3.922 20 0 CHADMN Cc1ccc([C@@H]2CCCCC[N@H+]2CC2(CC(=O)[O-])CC2)o1 ZINC000571810232 974736762 /nfs/dbraw/zinc/73/67/62/974736762.db2.gz JMAZSNPEXVQSBE-AWEZNQCLSA-N 0 1 291.391 3.760 20 0 CHADMN Cc1cc(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)oc1C(=O)[O-] ZINC000578076479 974847390 /nfs/dbraw/zinc/84/73/90/974847390.db2.gz KJBAPGWPWGNDKF-NILFDRSVSA-N 0 1 291.391 3.687 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC3(CCCCC3)CC2)o1 ZINC000579961438 974885800 /nfs/dbraw/zinc/88/58/00/974885800.db2.gz IOWJLCZFVKKAKJ-UHFFFAOYSA-N 0 1 291.391 3.914 20 0 CHADMN CCC[C@@H](C)CCC[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000629362500 975082866 /nfs/dbraw/zinc/08/28/66/975082866.db2.gz URKSRYCPVJWEJH-CHWSQXEVSA-N 0 1 255.402 3.530 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C)C1 ZINC000629376223 975090250 /nfs/dbraw/zinc/09/02/50/975090250.db2.gz SASSSUMQODDKNW-GILVVUIESA-N 0 1 287.403 3.799 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000634697725 975275521 /nfs/dbraw/zinc/27/55/21/975275521.db2.gz QAVRVHHAPXYHIR-TZMCWYRMSA-N 0 1 291.391 3.941 20 0 CHADMN CC[N@@H+](Cc1ccc2ccccc2c1)[C@@H](C(=O)[O-])C1CC1 ZINC000635015793 975282421 /nfs/dbraw/zinc/28/24/21/975282421.db2.gz RUGWQMBEJNHBFF-QGZVFWFLSA-N 0 1 283.371 3.525 20 0 CHADMN C[C@@H]1CCC[C@@H](CC[N@H+]2CCCC[C@H]2CC(=O)[O-])C1 ZINC000650506607 975448891 /nfs/dbraw/zinc/44/88/91/975448891.db2.gz SBYPSDHZBJXWQH-ILXRZTDVSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1cc([C@@H](C)[N@@H+](C)CCC(C)(C)C)oc1C(=O)[O-] ZINC000652416877 975526296 /nfs/dbraw/zinc/52/62/96/975526296.db2.gz IMLAWSKMNPQHPE-LLVKDONJSA-N 0 1 267.369 3.715 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000652415854 975526981 /nfs/dbraw/zinc/52/69/81/975526981.db2.gz MSQWAWFZZSBVAD-AWEZNQCLSA-N 0 1 293.432 3.909 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2)[C@H](C(=O)[O-])C1 ZINC000652502817 975566748 /nfs/dbraw/zinc/56/67/48/975566748.db2.gz AUCJPRBLAJHANP-GUYCJALGSA-N 0 1 283.371 3.525 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCCC2(CCCC2)CC1 ZINC000656759223 975686573 /nfs/dbraw/zinc/68/65/73/975686573.db2.gz YIPKCGZQVATTPV-UHFFFAOYSA-N 0 1 293.432 3.993 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC3(CCCC3)CC2)o1 ZINC000656758307 975686831 /nfs/dbraw/zinc/68/68/31/975686831.db2.gz FEWCSYNRGJJHOM-UHFFFAOYSA-N 0 1 277.364 3.524 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2=CCCCC2)[C@@H]2CCCC[C@@H]12 ZINC000656764328 975694901 /nfs/dbraw/zinc/69/49/01/975694901.db2.gz GBXFCCRXNKRSMA-GVDBMIGSSA-N 0 1 291.435 3.842 20 0 CHADMN C[C@@H]1CCC[C@@H](CC[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000659790676 975878283 /nfs/dbraw/zinc/87/82/83/975878283.db2.gz KFMKQGPZOJUGQT-KGLIPLIRSA-N 0 1 287.403 3.917 20 0 CHADMN O=C([O-])CC1(C[N@H+]2CCC[C@@H](C3CCCCC3)C2)CC1 ZINC000659803527 975893819 /nfs/dbraw/zinc/89/38/19/975893819.db2.gz KBHVDKHSCKVJHT-OAHLLOKOSA-N 0 1 279.424 3.534 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](CCC2CC2)CC2CC2)c(F)c1 ZINC000659803905 975895311 /nfs/dbraw/zinc/89/53/11/975895311.db2.gz PNYCWPKYBFDUAD-UHFFFAOYSA-N 0 1 291.366 3.536 20 0 CHADMN CC(C)c1[nH]c(C[N@@H+](C)Cc2cccs2)cc1C(=O)[O-] ZINC001591910609 976321828 /nfs/dbraw/zinc/32/18/28/976321828.db2.gz KLYAMZMHWXTURW-UHFFFAOYSA-N 0 1 292.404 3.530 20 0 CHADMN CC(C)c1ccccc1C[N@@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC001591994613 976635449 /nfs/dbraw/zinc/63/54/49/976635449.db2.gz OBLQWGGGDDUSEO-UHFFFAOYSA-N 0 1 287.403 3.782 20 0 CHADMN C[C@H](c1ccccc1F)N(C)C[C@@H]1CCC(C)(C)O1 ZINC000409445950 1118247245 /nfs/dbraw/zinc/24/72/45/1118247245.db2.gz YPYFYRVQDKUFMF-OLZOCXBDSA-N 0 1 265.372 3.776 20 0 CHADMN CCCCN1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000059391446 1118295709 /nfs/dbraw/zinc/29/57/09/1118295709.db2.gz VVVYBWJDAVDCDA-CQSZACIVSA-N 0 1 253.773 3.513 20 0 CHADMN CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C/C=C(/C)C(=O)[O-] ZINC000846244000 979421397 /nfs/dbraw/zinc/42/13/97/979421397.db2.gz RTHKBQISRHJIJS-NMVBRADZSA-N 0 1 287.403 3.676 20 0 CHADMN C/C(=C\C[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC000846253297 979425987 /nfs/dbraw/zinc/42/59/87/979425987.db2.gz ZWHKKHAVBCHGEU-INDWDQIESA-N 0 1 293.794 3.898 20 0 CHADMN CC[C@@H]1C[N@@H+](C/C=C(/C)C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000846257338 979428340 /nfs/dbraw/zinc/42/83/40/979428340.db2.gz OTTDFVLTHHFUSM-ILJKRDSFSA-N 0 1 287.403 3.533 20 0 CHADMN Cc1cc(C(=O)Nc2cccc(Cl)c2O)cs1 ZINC000671785160 1118397729 /nfs/dbraw/zinc/39/77/29/1118397729.db2.gz WWEANWKQPXVPFI-UHFFFAOYSA-N 0 1 267.737 3.668 20 0 CHADMN O=C([O-])c1csc(C[N@H+]2CCCC[C@H]2C2CCC2)c1 ZINC000872158768 980041519 /nfs/dbraw/zinc/04/15/19/980041519.db2.gz IHJAPMSOYLZZAA-AWEZNQCLSA-N 0 1 279.405 3.601 20 0 CHADMN O=C([O-])c1csc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000872159140 980041700 /nfs/dbraw/zinc/04/17/00/980041700.db2.gz OOPREPZCBKEBFW-INIZCTEOSA-N 0 1 291.416 3.769 20 0 CHADMN Cc1ccc(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)cc1C(=O)[O-] ZINC000872158383 980041982 /nfs/dbraw/zinc/04/19/82/980041982.db2.gz CMWZKCOPGDDDEL-JSGCOSHPSA-N 0 1 275.392 3.704 20 0 CHADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000872159165 980042487 /nfs/dbraw/zinc/04/24/87/980042487.db2.gz PCKKMUBWEZVGPE-FZMZJTMJSA-N 0 1 281.421 3.847 20 0 CHADMN C[C@@H](C[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1)C(C)(C)C ZINC000872159351 980043650 /nfs/dbraw/zinc/04/36/50/980043650.db2.gz DFZLWUASOAUNKN-LBPRGKRZSA-N 0 1 297.826 3.909 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]2C)c1 ZINC000872160498 980047478 /nfs/dbraw/zinc/04/74/78/980047478.db2.gz HKPIWTXPVQQILF-ZBFHGGJFSA-N 0 1 297.398 3.752 20 0 CHADMN Clc1ccnc(Cl)c1CN[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001659074086 1118476324 /nfs/dbraw/zinc/47/63/24/1118476324.db2.gz WQCCEOZLCXIIGA-YGOYTEALSA-N 0 1 271.191 3.667 20 0 CHADMN CCC[N@@H+](CC)Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000901415104 980260408 /nfs/dbraw/zinc/26/04/08/980260408.db2.gz DIGGQSUTDJMAGG-UHFFFAOYSA-N 0 1 289.297 3.636 20 0 CHADMN CCC[N@@H+](CC)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000901415310 980260417 /nfs/dbraw/zinc/26/04/17/980260417.db2.gz HCTLTNGSQMYUJF-UHFFFAOYSA-N 0 1 287.359 3.877 20 0 CHADMN CC1=CCC[C@@H](C)[C@H]1C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000901668367 980435028 /nfs/dbraw/zinc/43/50/28/980435028.db2.gz DMCLMKGDTQTQKH-KDOFPFPSSA-N 0 1 299.414 3.735 20 0 CHADMN CC(C)C1(C[N@@H+](CCCC(=O)[O-])Cc2ccccc2)CC1 ZINC000901802781 980527635 /nfs/dbraw/zinc/52/76/35/980527635.db2.gz ZQLKILIMJOTISH-UHFFFAOYSA-N 0 1 289.419 3.790 20 0 CHADMN Cc1cccc(C)c1C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000901840437 980559281 /nfs/dbraw/zinc/55/92/81/980559281.db2.gz IKHMFSYNJRLRMP-UHFFFAOYSA-N 0 1 291.435 3.872 20 0 CHADMN CC[C@H](C)[N@@H+](C/C=C\c1c(C)cc(C)cc1C)CC(=O)[O-] ZINC000901985292 980666561 /nfs/dbraw/zinc/66/65/61/980666561.db2.gz OPKUTDBHYZFOFD-PTZVLDCSSA-N 0 1 289.419 3.810 20 0 CHADMN CC[C@@H](C)[N@@H+](C/C=C/c1cc(C)c(C)cc1C)CC(=O)[O-] ZINC000901989058 980668849 /nfs/dbraw/zinc/66/88/49/980668849.db2.gz PLBMHKSDGVKMIS-KXPUMZMLSA-N 0 1 289.419 3.810 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001595359485 980741516 /nfs/dbraw/zinc/74/15/16/980741516.db2.gz BZCFJAQHFDVQOR-GLQYFDAESA-N 0 1 295.810 3.834 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001595359666 980743763 /nfs/dbraw/zinc/74/37/63/980743763.db2.gz GXUOSZMBOVPGIJ-PJODQICGSA-N 0 1 295.810 3.834 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000902237758 980795490 /nfs/dbraw/zinc/79/54/90/980795490.db2.gz KHGFNCYRHKGDEJ-HNNXBMFYSA-N 0 1 299.370 3.666 20 0 CHADMN C/C(=C/c1ccccc1)C[N@H+](C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000902272567 980811787 /nfs/dbraw/zinc/81/17/87/980811787.db2.gz NYZCLZIVIKEEDR-LCYFTJDESA-N 0 1 299.370 3.822 20 0 CHADMN Cc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])o3)C2)c(C)c1 ZINC000902449557 980893228 /nfs/dbraw/zinc/89/32/28/980893228.db2.gz BSLIDSJWEFZKQR-CQSZACIVSA-N 0 1 299.370 3.584 20 0 CHADMN CCc1oc(C[N@H+]2C[C@H](C)CCC[C@@H]2C)cc1C(=O)[O-] ZINC000902521384 980919238 /nfs/dbraw/zinc/91/92/38/980919238.db2.gz UAIBUKZXWXDAAF-NEPJUHHUSA-N 0 1 279.380 3.551 20 0 CHADMN CCSCC[C@@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])c(CC)o1 ZINC000902523289 980919904 /nfs/dbraw/zinc/91/99/04/980919904.db2.gz IEZXYUYETUWWRA-LLVKDONJSA-N 0 1 299.436 3.504 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCC(C)(C)C(=O)[O-])o1 ZINC000902524535 980921139 /nfs/dbraw/zinc/92/11/39/980921139.db2.gz UYJVSTAHQPXPHH-OCCSQVGLSA-N 0 1 293.407 3.862 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000902542432 980927011 /nfs/dbraw/zinc/92/70/11/980927011.db2.gz OHMOWFCMPJVROF-IOASZLSFSA-N 0 1 299.370 3.744 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](CC)Cc1cccc(Cl)c1 ZINC000903596669 980979983 /nfs/dbraw/zinc/97/99/83/980979983.db2.gz XEWJGWVMNWMSSX-SMDDNHRTSA-N 0 1 283.799 3.661 20 0 CHADMN C[C@@H]1C[C@H](C)CC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000903630762 981005784 /nfs/dbraw/zinc/00/57/84/981005784.db2.gz CORZXSKWWYNGKI-LALPHHSUSA-N 0 1 295.810 3.834 20 0 CHADMN CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(C)c(C(=O)[O-])o1 ZINC001595443777 981083271 /nfs/dbraw/zinc/08/32/71/981083271.db2.gz BHGUZGQFUGERFP-GXTWGEPZSA-N 0 1 279.380 3.687 20 0 CHADMN CC[C@@H]1CC[N@@H+]([C@H](C(=O)[O-])c2ccc(Cl)cc2)[C@@H]1C ZINC001595464471 981150294 /nfs/dbraw/zinc/15/02/94/981150294.db2.gz ORVONWLNMFHCNW-GYSYKLTISA-N 0 1 281.783 3.586 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])c(CC)[nH]1 ZINC001595571127 981478110 /nfs/dbraw/zinc/47/81/10/981478110.db2.gz NCPPEDCPSTZXCJ-LRDDRELGSA-N 0 1 292.423 3.676 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccc(Cl)cc2)s1 ZINC000090399419 1118636177 /nfs/dbraw/zinc/63/61/77/1118636177.db2.gz XXEMYXANOOFBQE-SECBINFHSA-N 0 1 266.797 3.956 20 0 CHADMN CC[C@@](C)(C(=O)[O-])[N@@H+](CC1CC1)C[C@H]1CC2CCC1CC2 ZINC001594784794 981799709 /nfs/dbraw/zinc/79/97/09/981799709.db2.gz HOQKQCJBSVGIQS-SPMVYCQMSA-N 0 1 293.451 3.778 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC001594876118 982212537 /nfs/dbraw/zinc/21/25/37/982212537.db2.gz KDBCPJKZDUQJLR-DRZSPHRISA-N 0 1 281.421 3.630 20 0 CHADMN CCCC[N@@H+](CCCCC(=O)[O-])[C@H]1CCC[C@H](C)C1 ZINC001595745071 982410588 /nfs/dbraw/zinc/41/05/88/982410588.db2.gz REZIBGZJXMBGEX-GJZGRUSLSA-N 0 1 269.429 3.922 20 0 CHADMN CC[C@@H](C)C[N@@H+](CC)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001594961008 982713230 /nfs/dbraw/zinc/71/32/30/982713230.db2.gz SSMCJOSEMQBOEM-BXUZGUMPSA-N 0 1 283.799 3.834 20 0 CHADMN CCC[N@@H+](CC1(C(=O)[O-])CC1)[C@H](CC)c1ccccc1 ZINC001595870389 982852787 /nfs/dbraw/zinc/85/27/87/982852787.db2.gz JWCOQUBIMHZEPT-OAHLLOKOSA-N 0 1 275.392 3.715 20 0 CHADMN CC1(C)CC[C@H](CCNCc2csc(C3CC3)n2)OC1 ZINC000897477588 1125486611 /nfs/dbraw/zinc/48/66/11/1125486611.db2.gz CNOFHRYLLROAHF-CQSZACIVSA-N 0 1 294.464 3.705 20 0 CHADMN CC[N@@H+](CC[C@H]1C[C@H](C)C[C@H](C)C1)C(C)(C)C(=O)[O-] ZINC001596321260 983753866 /nfs/dbraw/zinc/75/38/66/983753866.db2.gz ITZZSZPFKLIWPJ-WDNDVIMCSA-N 0 1 269.429 3.634 20 0 CHADMN CC[N@@H+](Cc1ccc(/C=C/C(=O)[O-])o1)Cc1ccc(C)cc1 ZINC001596360009 983838376 /nfs/dbraw/zinc/83/83/76/983838376.db2.gz XVOWXYNRNOKJMM-ZHACJKMWSA-N 0 1 299.370 3.708 20 0 CHADMN CC[N@@H+](Cc1occc1C)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001596380770 983904813 /nfs/dbraw/zinc/90/48/13/983904813.db2.gz ZCDMTXXNQQROQD-GFCCVEGCSA-N 0 1 291.347 3.771 20 0 CHADMN CN(Cc1c(Cl)cccc1N1CCCC1)C1CCC1 ZINC000342929546 1119253511 /nfs/dbraw/zinc/25/35/11/1119253511.db2.gz FTENORYKGFNSNP-UHFFFAOYSA-N 0 1 278.827 3.925 20 0 CHADMN C[C@H]1c2ccccc2C[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC001599936841 985406142 /nfs/dbraw/zinc/40/61/42/985406142.db2.gz FYSTVBGMZXLBDD-NSHDSACASA-N 0 1 285.318 3.601 20 0 CHADMN C[C@H]1c2ccccc2C[N@@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC001599936841 985406148 /nfs/dbraw/zinc/40/61/48/985406148.db2.gz FYSTVBGMZXLBDD-NSHDSACASA-N 0 1 285.318 3.601 20 0 CHADMN C[C@]12CCCC[C@H]1C[N@H+]2Cc1cc(C(=O)[O-])ccc1Cl ZINC001599938594 985427047 /nfs/dbraw/zinc/42/70/47/985427047.db2.gz YGXIPORPFRRYCH-BBRMVZONSA-N 0 1 293.794 3.803 20 0 CHADMN C[C@@H](O)[C@@H](NCc1sccc1Cl)c1ccccc1 ZINC000657816678 1119453086 /nfs/dbraw/zinc/45/30/86/1119453086.db2.gz KKQXSDIJQQQODL-QMTHXVAHSA-N 0 1 281.808 3.613 20 0 CHADMN CCOCCCN(Cc1ccco1)Cc1cccs1 ZINC000158536610 1119457162 /nfs/dbraw/zinc/45/71/62/1119457162.db2.gz ZYVYYLSGNLVGRC-UHFFFAOYSA-N 0 1 279.405 3.770 20 0 CHADMN Cc1[nH]c(C[N@H+]2CCC[C@H]2C2CCCCC2)cc1C(=O)[O-] ZINC001599962924 985828983 /nfs/dbraw/zinc/82/89/83/985828983.db2.gz NKOQDYSVABAPOM-INIZCTEOSA-N 0 1 290.407 3.566 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@H+]1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000650794598 1119475989 /nfs/dbraw/zinc/47/59/89/1119475989.db2.gz BOCXXRPOTADIHG-YDHLFZDLSA-N 0 1 267.413 3.530 20 0 CHADMN Clc1ccccc1C1=CCN(C[C@@H]2CCCO2)CC1 ZINC000131847706 1125497012 /nfs/dbraw/zinc/49/70/12/1125497012.db2.gz YHQLWEBHRDNTFR-AWEZNQCLSA-N 0 1 277.795 3.608 20 0 CHADMN CCC[C@@H](NCc1cc(OC)ns1)c1ccccc1 ZINC000399145525 1119644470 /nfs/dbraw/zinc/64/44/70/1119644470.db2.gz DIUJNLPZUZIBJE-CQSZACIVSA-N 0 1 276.405 3.783 20 0 CHADMN CC(C)(C)C1=CC[N@@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC001589727091 987919880 /nfs/dbraw/zinc/91/98/80/987919880.db2.gz WAVXYMXNWFAIOY-HNNXBMFYSA-N 0 1 291.366 3.630 20 0 CHADMN CC(C)(C)C1=CC[N@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC001589727091 987919889 /nfs/dbraw/zinc/91/98/89/987919889.db2.gz WAVXYMXNWFAIOY-HNNXBMFYSA-N 0 1 291.366 3.630 20 0 CHADMN CO[C@@H](CN[C@H](C)c1csc(C)n1)C1CCCCC1 ZINC000658327557 1119725895 /nfs/dbraw/zinc/72/58/95/1119725895.db2.gz ORTZAUALKSXBRG-ABAIWWIYSA-N 0 1 282.453 3.697 20 0 CHADMN CCc1cccc(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)c1 ZINC001597587159 988409827 /nfs/dbraw/zinc/40/98/27/988409827.db2.gz QSFSGMYPFHJGBK-UHFFFAOYSA-N 0 1 297.398 3.726 20 0 CHADMN CCc1nc2c(s1)[C@@H](NCc1scnc1C)CCC2 ZINC000132427989 1125503439 /nfs/dbraw/zinc/50/34/39/1125503439.db2.gz QLQCXBSETXLEBK-JTQLQIEISA-N 0 1 293.461 3.638 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1nccn1C(F)F ZINC000115553019 1125504532 /nfs/dbraw/zinc/50/45/32/1125504532.db2.gz HHLITWBXPNVLAO-TZMCWYRMSA-N 0 1 291.345 3.656 20 0 CHADMN CC[C@@H](CCc1ccccc1)N[C@@H](C)c1ncco1 ZINC000926749893 1119935967 /nfs/dbraw/zinc/93/59/67/1119935967.db2.gz DGCIAIXLOOIJGV-ZFWWWQNUSA-N 0 1 258.365 3.737 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+](C)[C@@H]1CCCC[C@@H]1CC ZINC001597761406 989188198 /nfs/dbraw/zinc/18/81/98/989188198.db2.gz CSVUGKVTVXNSMA-GXTWGEPZSA-N 0 1 293.407 3.941 20 0 CHADMN CC(C)=CCO[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001205025602 1120093880 /nfs/dbraw/zinc/09/38/80/1120093880.db2.gz MDKRTNLELBJJHX-HNNXBMFYSA-N 0 1 279.811 3.897 20 0 CHADMN CC(C)=CCC[N@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000659793424 1120111113 /nfs/dbraw/zinc/11/11/13/1120111113.db2.gz WLOLNOVFODDUSI-JKSUJKDBSA-N 0 1 279.424 3.698 20 0 CHADMN CCOc1ccc(CN[C@H](CC)c2ccccc2)o1 ZINC000892742244 1120134266 /nfs/dbraw/zinc/13/42/66/1120134266.db2.gz WCWGZVURPFZKNP-OAHLLOKOSA-N 0 1 259.349 3.919 20 0 CHADMN Cc1ccc(CN(C)Cc2ccco2)cc1Br ZINC000313762112 1120148768 /nfs/dbraw/zinc/14/87/68/1120148768.db2.gz RFTSQJLSTHNNBS-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC001591052800 991462145 /nfs/dbraw/zinc/46/21/45/991462145.db2.gz WVOGIMMDMWLCME-INIZCTEOSA-N 0 1 275.392 3.570 20 0 CHADMN CCOc1ccc(F)c(F)c1CN(C)CC1CCCC1 ZINC001143496013 1120180548 /nfs/dbraw/zinc/18/05/48/1120180548.db2.gz ZWQJUTNSYUNCBR-UHFFFAOYSA-N 0 1 283.362 3.986 20 0 CHADMN CC(C)[C@H]1[N@@H+](CCC(C)(C)C(=O)[O-])CC12CCCCC2 ZINC001591098714 991703994 /nfs/dbraw/zinc/70/39/94/991703994.db2.gz DTBHBWAZAKXEAA-CQSZACIVSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)C[C@]1(C)CCC[N@H+]1C[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001591192092 992006447 /nfs/dbraw/zinc/00/64/47/992006447.db2.gz LNUGPUIXLGRQBC-ZOBUZTSGSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)C[C@]1(C)CCC[N@H+]1C[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001591192087 992006465 /nfs/dbraw/zinc/00/64/65/992006465.db2.gz LNUGPUIXLGRQBC-UXLLHSPISA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)C[C@H]1CCCCC[N@H+]1Cc1ncc(C(=O)[O-])s1 ZINC001591206349 992034221 /nfs/dbraw/zinc/03/42/21/992034221.db2.gz SNAYXAAMNUXCGS-GFCCVEGCSA-N 0 1 296.436 3.632 20 0 CHADMN CC(C)CC[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC001591227075 992097779 /nfs/dbraw/zinc/09/77/79/992097779.db2.gz AAOQEBGIYHAHCK-HNNXBMFYSA-N 0 1 290.407 3.571 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cccc2ccoc21 ZINC001598513984 992599234 /nfs/dbraw/zinc/59/92/34/992599234.db2.gz ODCWEJNZBZJOAE-UHFFFAOYSA-N 0 1 295.338 3.763 20 0 CHADMN CC(C)[N@@H+](C[C@H]1CCCC[C@H]1C(=O)[O-])C1CCCC1 ZINC001591574687 992784484 /nfs/dbraw/zinc/78/44/84/992784484.db2.gz RPHHEDLAYSZYLX-UKRRQHHQSA-N 0 1 267.413 3.530 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])[C@@H]1C[C@H](C)Sc2sccc21 ZINC001591584363 992792564 /nfs/dbraw/zinc/79/25/64/992792564.db2.gz QVCPSPZBFNAZAC-CMPLNLGQSA-N 0 1 299.461 3.859 20 0 CHADMN CC(C)CCN(C)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000077211707 1120319260 /nfs/dbraw/zinc/31/92/60/1120319260.db2.gz PDHRPODQOHJNDV-GFCCVEGCSA-N 0 1 282.815 3.645 20 0 CHADMN CC(C)C[C@H](NCc1ccno1)c1cccs1 ZINC000543484764 1120533532 /nfs/dbraw/zinc/53/35/32/1120533532.db2.gz JASXXQDWJPQHPO-LBPRGKRZSA-N 0 1 250.367 3.613 20 0 CHADMN CC1CCC([N@@H+](Cc2cscn2)C2CC2)CC1 ZINC000193936068 1120587879 /nfs/dbraw/zinc/58/78/79/1120587879.db2.gz IUGJUWXQYPYMCI-UHFFFAOYSA-N 0 1 250.411 3.686 20 0 CHADMN CC1CCC(N(Cc2cscn2)C2CC2)CC1 ZINC000193936068 1120587883 /nfs/dbraw/zinc/58/78/83/1120587883.db2.gz IUGJUWXQYPYMCI-UHFFFAOYSA-N 0 1 250.411 3.686 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001593711116 996211515 /nfs/dbraw/zinc/21/15/15/996211515.db2.gz PRSYJHDUQMOOBK-OCHBPSSRSA-N 0 1 285.343 3.570 20 0 CHADMN C[C@H](c1cccs1)[N@H+](C)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001593722744 996252712 /nfs/dbraw/zinc/25/27/12/996252712.db2.gz BOCRKLMFZWRINB-BDAKNGLRSA-N 0 1 296.417 3.657 20 0 CHADMN C[C@H](c1cccs1)[N@@H+](C)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001593722744 996252716 /nfs/dbraw/zinc/25/27/16/996252716.db2.gz BOCRKLMFZWRINB-BDAKNGLRSA-N 0 1 296.417 3.657 20 0 CHADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+](C)[C@@H](C)C1CCCCC1 ZINC001593730852 996297594 /nfs/dbraw/zinc/29/75/94/996297594.db2.gz ABEZMPUUFGTZAL-QWRGUYRKSA-N 0 1 296.436 3.803 20 0 CHADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+](C)C1CCCCCCC1 ZINC001593734537 996326239 /nfs/dbraw/zinc/32/62/39/996326239.db2.gz ZGIRTUCAHUSJFU-NSHDSACASA-N 0 1 296.436 3.947 20 0 CHADMN CCC[C@@H](C)CCCN1CCOC[C@H]1CC(F)F ZINC000625426980 1120679080 /nfs/dbraw/zinc/67/90/80/1120679080.db2.gz GRDAIVSYDVLBRB-CHWSQXEVSA-N 0 1 263.372 3.559 20 0 CHADMN CC1(C)C[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C1(C)C ZINC001593942927 996975529 /nfs/dbraw/zinc/97/55/29/996975529.db2.gz VQZUNDIUWXWIGP-UHFFFAOYSA-N 0 1 281.783 3.659 20 0 CHADMN CCc1ccc([C@H](COC)N[C@@H](COC)CC(C)(C)C)o1 ZINC000651714598 1120721163 /nfs/dbraw/zinc/72/11/63/1120721163.db2.gz HKUILEUIDQUSKZ-HIFRSBDPSA-N 0 1 297.439 3.570 20 0 CHADMN Oc1cccc(CN2CCC23CCCC3)c1Cl ZINC000651873175 1120768104 /nfs/dbraw/zinc/76/81/04/1120768104.db2.gz VWIRNSBLZVHBIP-UHFFFAOYSA-N 0 1 251.757 3.564 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC23CCCC3)c1Cl ZINC000651873175 1120768108 /nfs/dbraw/zinc/76/81/08/1120768108.db2.gz VWIRNSBLZVHBIP-UHFFFAOYSA-N 0 1 251.757 3.564 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC23CCCC3)c1Cl ZINC000651873175 1120768112 /nfs/dbraw/zinc/76/81/12/1120768112.db2.gz VWIRNSBLZVHBIP-UHFFFAOYSA-N 0 1 251.757 3.564 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(C(C)C)c1 ZINC000663316468 1120924554 /nfs/dbraw/zinc/92/45/54/1120924554.db2.gz DXVZYRDMQIBKTE-MRXNPFEDSA-N 0 1 277.408 3.741 20 0 CHADMN COc1ncc(CN[C@H](C)c2ccsc2)cc1Cl ZINC000282505792 1121044673 /nfs/dbraw/zinc/04/46/73/1121044673.db2.gz NXWHRSWFLUMKMR-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001594232399 998884866 /nfs/dbraw/zinc/88/48/66/998884866.db2.gz JAHLQVINONIRRA-TXEJJXNPSA-N 0 1 285.343 3.628 20 0 CHADMN C[C@H]1CCC[C@H](CC[N@@H+](C)C2(C(=O)[O-])CCCC2)C1 ZINC001594344887 999304663 /nfs/dbraw/zinc/30/46/63/999304663.db2.gz JVNWDVMAEAPPOL-UONOGXRCSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@H](O)C[C@H]1CCCCN1Cc1nc(C(C)(C)C)cs1 ZINC000123721319 1121272601 /nfs/dbraw/zinc/27/26/01/1121272601.db2.gz NTZYYPVLGADDRT-QWHCGFSZSA-N 0 1 296.480 3.566 20 0 CHADMN CCCN(Cc1nc2ccc(F)cc2s1)C1CC1 ZINC000432739262 1121306959 /nfs/dbraw/zinc/30/69/59/1121306959.db2.gz PUYMGMSDMFMVEX-UHFFFAOYSA-N 0 1 264.369 3.810 20 0 CHADMN CCN(Cc1ocnc1C)[C@H](C)c1ccc(F)cc1 ZINC000893966031 1121447775 /nfs/dbraw/zinc/44/77/75/1121447775.db2.gz DVUNEDBMHDZEDJ-GFCCVEGCSA-N 0 1 262.328 3.705 20 0 CHADMN Cc1occc1CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000414438789 1121981736 /nfs/dbraw/zinc/98/17/36/1121981736.db2.gz RQTRKLPIYKRSFG-LBPRGKRZSA-N 0 1 275.314 3.998 20 0 CHADMN CC(C)c1cnc(CN(C)[C@@H]2CCC[C@H](C)C2)o1 ZINC000733306758 1121971714 /nfs/dbraw/zinc/97/17/14/1121971714.db2.gz FILJNTYNFAWONV-QWHCGFSZSA-N 0 1 250.386 3.809 20 0 CHADMN Cc1nn(C)c(CN2CCCC3(CCCC3)C2)c1Cl ZINC001180969380 1122026245 /nfs/dbraw/zinc/02/62/45/1122026245.db2.gz HHKBVKIKEFANKM-UHFFFAOYSA-N 0 1 281.831 3.538 20 0 CHADMN CC(C)(C)C[C@H]1CC[N@H+](Cc2ccc([O-])c(F)c2F)C1 ZINC001182409476 1122149956 /nfs/dbraw/zinc/14/99/56/1122149956.db2.gz LQMUFBDRSUITLS-LLVKDONJSA-N 0 1 283.362 3.929 20 0 CHADMN CC(C)(C)C[C@H]1CC[N@@H+](Cc2ccc([O-])c(F)c2F)C1 ZINC001182409476 1122149963 /nfs/dbraw/zinc/14/99/63/1122149963.db2.gz LQMUFBDRSUITLS-LLVKDONJSA-N 0 1 283.362 3.929 20 0 CHADMN C[C@@H](N[C@@H](C)COCC(F)(F)F)c1cccc(F)c1F ZINC000271968354 1122184423 /nfs/dbraw/zinc/18/44/23/1122184423.db2.gz MVIMJEWCJQQLAR-DTWKUNHWSA-N 0 1 297.267 3.583 20 0 CHADMN C[C@@H](NCc1ccns1)c1ccc(Br)cc1 ZINC000404440000 1122187307 /nfs/dbraw/zinc/18/73/07/1122187307.db2.gz GPFOXRIPIHWJOL-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)c1c(F)cccc1F ZINC000503409871 1122259748 /nfs/dbraw/zinc/25/97/48/1122259748.db2.gz WYGYLSPUWSUWGL-GGZOMVNGSA-N 0 1 291.288 3.776 20 0 CHADMN C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCOC(C)(C)C1 ZINC000503993007 1122283436 /nfs/dbraw/zinc/28/34/36/1122283436.db2.gz XFLPPUBWIDHNNO-NSHDSACASA-N 0 1 287.325 3.877 20 0 CHADMN C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOC(C)(C)C1 ZINC000503993007 1122283441 /nfs/dbraw/zinc/28/34/41/1122283441.db2.gz XFLPPUBWIDHNNO-NSHDSACASA-N 0 1 287.325 3.877 20 0 CHADMN C1=CCC(CSc2nnc(CCC3CCCC3)[nH]2)C1 ZINC001188583431 1122469214 /nfs/dbraw/zinc/46/92/14/1122469214.db2.gz SDHKEONZBCNTOK-UHFFFAOYSA-N 0 1 277.437 3.986 20 0 CHADMN C1=CCC(CSc2nc(CCC3CCCC3)n[nH]2)C1 ZINC001188583431 1122469219 /nfs/dbraw/zinc/46/92/19/1122469219.db2.gz SDHKEONZBCNTOK-UHFFFAOYSA-N 0 1 277.437 3.986 20 0 CHADMN CC[C@@](C)(NCc1c(C)noc1C)c1ccccc1 ZINC000775391635 1122541232 /nfs/dbraw/zinc/54/12/32/1122541232.db2.gz VLXFQIQFQGILBV-MRXNPFEDSA-N 0 1 258.365 3.706 20 0 CHADMN C[C@H](CC1CC1)NC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436543871 1122560465 /nfs/dbraw/zinc/56/04/65/1122560465.db2.gz ADMZPAHBHBIOCA-SSDOTTSWSA-N 0 1 288.174 3.617 20 0 CHADMN COc1ccc(OC(F)F)c(CN2CCC(C)CC2)c1 ZINC000505865240 1122572278 /nfs/dbraw/zinc/57/22/78/1122572278.db2.gz YVABXNRHCXMONE-UHFFFAOYSA-N 0 1 285.334 3.529 20 0 CHADMN Cc1cccc(CN(CCC(F)(F)F)CC2CC2)n1 ZINC000437529718 1122639063 /nfs/dbraw/zinc/63/90/63/1122639063.db2.gz QWCFYQUIIGQUCK-UHFFFAOYSA-N 0 1 272.314 3.554 20 0 CHADMN CC(C)c1nc(CN(C)[C@H]2CC[C@H](C)C2)cs1 ZINC000429602611 1122728211 /nfs/dbraw/zinc/72/82/11/1122728211.db2.gz YUZUKUDDMNRGSS-AAEUAGOBSA-N 0 1 252.427 3.887 20 0 CHADMN C[C@H](O)CC[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000438993933 1122746435 /nfs/dbraw/zinc/74/64/35/1122746435.db2.gz XNWJKWOHIDZFPW-HZMBPMFUSA-N 0 1 288.218 3.901 20 0 CHADMN C[C@H](O)CCN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000438993933 1122746440 /nfs/dbraw/zinc/74/64/40/1122746440.db2.gz XNWJKWOHIDZFPW-HZMBPMFUSA-N 0 1 288.218 3.901 20 0 CHADMN FC(F)(F)[C@H]1CC=C(Nc2cncnc2Cl)CC1 ZINC001195835637 1122892494 /nfs/dbraw/zinc/89/24/94/1122892494.db2.gz PUTRFIXIBZAQTE-ZETCQYMHSA-N 0 1 277.677 3.788 20 0 CHADMN Fc1ncccc1N=C1CCC(C(F)(F)F)CC1 ZINC001195835906 1122893849 /nfs/dbraw/zinc/89/38/49/1122893849.db2.gz TVRKOXDJGDBQOS-QMMMGPOBSA-N 0 1 260.234 3.879 20 0 CHADMN Cc1cnc([C@H](C)N2CCC(C)(C(C)C)CC2)o1 ZINC000426746708 1122914240 /nfs/dbraw/zinc/91/42/40/1122914240.db2.gz ZJBNRBIFFLPABR-ZDUSSCGKSA-N 0 1 250.386 3.802 20 0 CHADMN CCCN(CC=C(C)C)[C@H](C)C(=O)Nc1ccccc1 ZINC000507380273 1122950232 /nfs/dbraw/zinc/95/02/32/1122950232.db2.gz PHWMEMWDYKMNIY-OAHLLOKOSA-N 0 1 274.408 3.692 20 0 CHADMN COCc1ccc(CNCc2cscc2Cl)cc1 ZINC000775854339 1122994878 /nfs/dbraw/zinc/99/48/78/1122994878.db2.gz BQZSAUVOWZUERH-UHFFFAOYSA-N 0 1 281.808 3.838 20 0 CHADMN CCCCN(CC)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001198742081 1123007859 /nfs/dbraw/zinc/00/78/59/1123007859.db2.gz KUZYNQKHSCHBAK-GFCCVEGCSA-N 0 1 266.454 3.890 20 0 CHADMN CC[C@@H](COCC1CC1)N[C@@H](C)c1cccnc1Cl ZINC000850494561 1123274975 /nfs/dbraw/zinc/27/49/75/1123274975.db2.gz PQFIJEKDYRSTEJ-AAEUAGOBSA-N 0 1 282.815 3.591 20 0 CHADMN Cc1ncc(CN[C@H]2CC[C@H](C)c3ccsc32)o1 ZINC000335181363 1123324371 /nfs/dbraw/zinc/32/43/71/1123324371.db2.gz PBNFCPPICRPNNT-ZANVPECISA-N 0 1 262.378 3.773 20 0 CHADMN CS[C@H](C)C(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000111989340 1123472752 /nfs/dbraw/zinc/47/27/52/1123472752.db2.gz REHBXGPEQCKXBY-HTQZYQBOSA-N 0 1 298.795 3.572 20 0 CHADMN FCC[C@@H]1CCCN(Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000895384858 1123472943 /nfs/dbraw/zinc/47/29/43/1123472943.db2.gz ZTRQSKLNHVXAAE-JTQLQIEISA-N 0 1 285.794 3.512 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1cccc(Cl)c1 ZINC000112586753 1123494044 /nfs/dbraw/zinc/49/40/44/1123494044.db2.gz NDLUACSFGMCXCZ-UHFFFAOYSA-N 0 1 282.815 3.791 20 0 CHADMN CCCCC[C@H](C(=O)O[C@@H](C)c1n[nH]c(C)n1)C(C)C ZINC000840284817 1123516990 /nfs/dbraw/zinc/51/69/90/1123516990.db2.gz NCRFMILUDWPSRV-AAEUAGOBSA-N 0 1 281.400 3.570 20 0 CHADMN Clc1cncc(CN2CCC3(CCCC3)C2)c1 ZINC000856727905 1123565930 /nfs/dbraw/zinc/56/59/30/1123565930.db2.gz WTPGJFJYASLHKQ-UHFFFAOYSA-N 0 1 250.773 3.501 20 0 CHADMN CC(C)(C)c1cnc(CN2CCC[C@@H]2C2CCC2)o1 ZINC000102927079 1123595303 /nfs/dbraw/zinc/59/53/03/1123595303.db2.gz GXYFUDQANWSANI-CYBMUJFWSA-N 0 1 262.397 3.737 20 0 CHADMN CCC[C@@H](C)CCC[C@@H](C)NCc1nnc(C)s1 ZINC000858403641 1123651338 /nfs/dbraw/zinc/65/13/38/1123651338.db2.gz IEGBRPYGXHZWMH-VXGBXAGGSA-N 0 1 269.458 3.931 20 0 CHADMN CSc1ccccc1CN[C@@H](C)c1ccns1 ZINC000860057801 1123719581 /nfs/dbraw/zinc/71/95/81/1123719581.db2.gz AZQLMUWNTYNGMX-JTQLQIEISA-N 0 1 264.419 3.716 20 0 CHADMN CCCCOCCCNCc1c(Cl)cncc1Cl ZINC000865398041 1123979711 /nfs/dbraw/zinc/97/97/11/1123979711.db2.gz PTUGOTKJBPKPOJ-UHFFFAOYSA-N 0 1 291.222 3.685 20 0 CHADMN CCCCc1noc([C@H](C)N2CCC[C@H](C(C)C)C2)n1 ZINC000444774124 1124062437 /nfs/dbraw/zinc/06/24/37/1124062437.db2.gz VBHHAFBEAAFEKQ-KBPBESRZSA-N 0 1 279.428 3.841 20 0 CHADMN CCC[C@H](N[C@@H](C)c1ccnn1C)c1ccsc1 ZINC000866613853 1124088386 /nfs/dbraw/zinc/08/83/86/1124088386.db2.gz JRDFMJMGJYZHCS-AAEUAGOBSA-N 0 1 263.410 3.674 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1coc(-c2cccs2)n1 ZINC000525408235 1124126833 /nfs/dbraw/zinc/12/68/33/1124126833.db2.gz QIIHNSLLKPGCMY-WDEREUQCSA-N 0 1 262.378 3.633 20 0 CHADMN CC[C@@H]1[C@@H](C)CCN1Cc1cnc(C(F)(F)F)s1 ZINC000446814052 1124123067 /nfs/dbraw/zinc/12/30/67/1124123067.db2.gz USNNEJBXFWLGFH-WCBMZHEXSA-N 0 1 278.343 3.782 20 0 CHADMN Cc1noc([C@H](C)N[C@@H]2CCC[C@H]2CCC(C)C)n1 ZINC000361607080 1124477628 /nfs/dbraw/zinc/47/76/28/1124477628.db2.gz BMPKACMADPGFGN-FPMFFAJLSA-N 0 1 265.401 3.634 20 0 CHADMN CC(C)(C)C[C@@H]1CCN(Cc2nc(C(C)(C)C)no2)C1 ZINC000448554063 1124585924 /nfs/dbraw/zinc/58/59/24/1124585924.db2.gz HFAVCKRMANXJLJ-LBPRGKRZSA-N 0 1 279.428 3.625 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2nccnc2C)cs1 ZINC000872135027 1124693928 /nfs/dbraw/zinc/69/39/28/1124693928.db2.gz URMTWHXEBHBATA-JQWIXIFHSA-N 0 1 261.394 3.567 20 0 CHADMN COC[C@]1(C)CCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000449395063 1124714576 /nfs/dbraw/zinc/71/45/76/1124714576.db2.gz PGZUIIVYXZYVQU-GFCCVEGCSA-N 0 1 293.354 3.625 20 0 CHADMN C[C@@H]1CC2(CCC2)CN1Cc1cccnc1Br ZINC000877478595 1125033143 /nfs/dbraw/zinc/03/31/43/1125033143.db2.gz OOVFBTGODUDUGX-LLVKDONJSA-N 0 1 295.224 3.609 20 0 CHADMN C/C=C/C[C@H]1CCCN(Cc2ccn(C(C)C)n2)C1 ZINC000626162638 1125380405 /nfs/dbraw/zinc/38/04/05/1125380405.db2.gz XBBBBQITXSGCBK-RGDDUWESSA-N 0 1 261.413 3.642 20 0 CHADMN C[C@H]1CCCN1Cc1nc(-c2ccccc2)cs1 ZINC000124340390 1125437878 /nfs/dbraw/zinc/43/78/78/1125437878.db2.gz GUIUICMUSPSEFS-LBPRGKRZSA-N 0 1 258.390 3.794 20 0 CHADMN CCc1nc(CNCCCC2CCCCC2)co1 ZINC000825061842 1131496657 /nfs/dbraw/zinc/49/66/57/1131496657.db2.gz KVYGETWQJQNWBM-UHFFFAOYSA-N 0 1 250.386 3.687 20 0 CHADMN CCc1nc(CNC[C@@H](C)c2cccc(Cl)c2)co1 ZINC000825062524 1131497318 /nfs/dbraw/zinc/49/73/18/1131497318.db2.gz ZKBFNSKISQNSJU-LLVKDONJSA-N 0 1 278.783 3.784 20 0 CHADMN COc1ccc(CN2CCC[C@H](C(F)F)C2)cc1Cl ZINC001138474398 1131510427 /nfs/dbraw/zinc/51/04/27/1131510427.db2.gz MMXQWNATNDWMRH-NSHDSACASA-N 0 1 289.753 3.826 20 0 CHADMN CO[C@H](CNCc1nc(C(C)(C)C)cs1)CC(C)C ZINC001202868333 1131553822 /nfs/dbraw/zinc/55/38/22/1131553822.db2.gz HAPAPQLYEOKMRQ-LBPRGKRZSA-N 0 1 284.469 3.591 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453072 1131562917 /nfs/dbraw/zinc/56/29/17/1131562917.db2.gz UOFMGGNMCGHVLJ-XQQFMLRXSA-N 0 1 271.738 3.988 20 0 CHADMN Cc1nc(CN(C)CCc2cccc(C)c2)sc1C ZINC001144369703 1131622060 /nfs/dbraw/zinc/62/20/60/1131622060.db2.gz YVBLGFYNYUTLQH-UHFFFAOYSA-N 0 1 274.433 3.743 20 0 CHADMN Cc1cc(O)cc(C)c1C[N@@H+](C)Cc1cccs1 ZINC001139713952 1131630732 /nfs/dbraw/zinc/63/07/32/1131630732.db2.gz KOPLJZURUWSAAR-UHFFFAOYSA-N 0 1 261.390 3.703 20 0 CHADMN COc1cc(Cl)cc(CN2CCC[C@@H](C(F)F)C2)c1 ZINC001144488861 1131644840 /nfs/dbraw/zinc/64/48/40/1131644840.db2.gz WTKUFEQCXYRENI-LLVKDONJSA-N 0 1 289.753 3.826 20 0 CHADMN CCc1cccc(CNCc2cc(C)ccc2F)c1 ZINC001203011510 1131676187 /nfs/dbraw/zinc/67/61/87/1131676187.db2.gz MNCHNPAFUGFKDM-UHFFFAOYSA-N 0 1 257.352 3.986 20 0 CHADMN COc1c(F)ccc(F)c1CN1[C@@H](C)CCC[C@@H]1C ZINC001144744772 1131700247 /nfs/dbraw/zinc/70/02/47/1131700247.db2.gz DTZIIXQJIYLJGC-QWRGUYRKSA-N 0 1 269.335 3.736 20 0 CHADMN CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(O)c2)CC1 ZINC001146331801 1131787333 /nfs/dbraw/zinc/78/73/33/1131787333.db2.gz GTUXOEVJYWMQQJ-LLVKDONJSA-N 0 1 281.783 3.698 20 0 CHADMN CN1CC[C@H](Oc2cc(Cl)cc(Cl)c2Cl)C1 ZINC001228109634 1131811061 /nfs/dbraw/zinc/81/10/61/1131811061.db2.gz RBTGMCINCNCPIG-QMMMGPOBSA-N 0 1 280.582 3.730 20 0 CHADMN Clc1cnccc1CN1CCCC2(CCC2)C1 ZINC000348172544 1131898313 /nfs/dbraw/zinc/89/83/13/1131898313.db2.gz YLNPODHXOUISIQ-UHFFFAOYSA-N 0 1 250.773 3.501 20 0 CHADMN [O-]c1c(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001140830188 1131939045 /nfs/dbraw/zinc/93/90/45/1131939045.db2.gz SQUUFPVYSMCRNR-PHIMTYICSA-N 0 1 286.202 3.931 20 0 CHADMN C[C@@H]1CCN(Cc2cc(F)c(C(F)(F)F)c(F)c2)C1 ZINC001140879161 1131955408 /nfs/dbraw/zinc/95/54/08/1131955408.db2.gz RSNNZRJBMZGNHS-MRVPVSSYSA-N 0 1 279.252 3.825 20 0 CHADMN C[C@@H]1CCCN(Cc2cnccc2C(F)(F)F)[C@H]1C ZINC001140918266 1131963468 /nfs/dbraw/zinc/96/34/68/1131963468.db2.gz PFDQTRFTVKJREX-MNOVXSKESA-N 0 1 272.314 3.721 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@H](C)c2ccns2)cc1 ZINC000715934806 1131998157 /nfs/dbraw/zinc/99/81/57/1131998157.db2.gz YVESFWONIKOIRQ-VXGBXAGGSA-N 0 1 276.405 3.954 20 0 CHADMN CCCCc1ncc(CN2CCCC[C@H]2C(F)(F)F)[nH]1 ZINC001141069731 1132002044 /nfs/dbraw/zinc/00/20/44/1132002044.db2.gz BANONDQGSXHESE-LBPRGKRZSA-N 0 1 289.345 3.669 20 0 CHADMN CCN(Cc1c(C)cccc1Cl)[C@H]1CCCOC1 ZINC001171729907 1132086550 /nfs/dbraw/zinc/08/65/50/1132086550.db2.gz OTCRSKMZSQSSKA-ZDUSSCGKSA-N 0 1 267.800 3.649 20 0 CHADMN C[C@H](CSc1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001172875051 1132353495 /nfs/dbraw/zinc/35/34/95/1132353495.db2.gz HIXAJXMYWYVSMQ-GFCCVEGCSA-N 0 1 299.867 3.931 20 0 CHADMN C[C@H](CSc1ccc(Cl)cc1)N1C[C@@H](C)O[C@H](C)C1 ZINC001172875288 1132354158 /nfs/dbraw/zinc/35/41/58/1132354158.db2.gz KIZSUYSLEYMTEO-JHJVBQTASA-N 0 1 299.867 3.930 20 0 CHADMN FC(F)(F)c1cnc(Cl)cc1CN1CCC[C@H]2C[C@H]21 ZINC001231933384 1132401835 /nfs/dbraw/zinc/40/18/35/1132401835.db2.gz QXQWTQXBJQOPMY-GZMMTYOYSA-N 0 1 290.716 3.738 20 0 CHADMN CCSC[C@H](C)N(CC)Cc1cccc(F)c1F ZINC001173313605 1132452087 /nfs/dbraw/zinc/45/20/87/1132452087.db2.gz DEPUCPRFCWMLFN-NSHDSACASA-N 0 1 273.392 3.928 20 0 CHADMN C[C@H]1CCC[N@H+](Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232624764 1132495951 /nfs/dbraw/zinc/49/59/51/1132495951.db2.gz WIECEFZUBUZDKK-VIFPVBQESA-N 0 1 274.191 3.931 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232624764 1132495955 /nfs/dbraw/zinc/49/59/55/1132495955.db2.gz WIECEFZUBUZDKK-VIFPVBQESA-N 0 1 274.191 3.931 20 0 CHADMN Cc1c(CN2C[C@H]3CC[C@@H](C2)C3(F)F)ccnc1Cl ZINC001232751438 1132515867 /nfs/dbraw/zinc/51/58/67/1132515867.db2.gz LNOIVYZZVUXZRT-TXEJJXNPSA-N 0 1 286.753 3.521 20 0 CHADMN Cc1cccc(CN(C)Cc2ccnc(Cl)c2C)c1 ZINC001232750258 1132516033 /nfs/dbraw/zinc/51/60/33/1132516033.db2.gz ZGQACAILOLUHTO-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CCOc1ccc(CN2CCCC2(C)C)c(F)c1F ZINC001143268385 1132525437 /nfs/dbraw/zinc/52/54/37/1132525437.db2.gz BQZZBYFISMWCQH-UHFFFAOYSA-N 0 1 269.335 3.738 20 0 CHADMN COc1ccc(CN2[C@H](C)CCC[C@H]2C)c(Cl)c1O ZINC001233396962 1132615770 /nfs/dbraw/zinc/61/57/70/1132615770.db2.gz FSCKPOUCUYTHMD-GHMZBOCLSA-N 0 1 283.799 3.817 20 0 CHADMN Fc1cccc(Cl)c1CN1CCC12CCCC2 ZINC001203399446 1133322670 /nfs/dbraw/zinc/32/26/70/1133322670.db2.gz ZUYDWZDQVFDZAM-UHFFFAOYSA-N 0 1 253.748 3.998 20 0 CHADMN Cc1cc(CN(CCOC(C)C)CCOC(C)C)oc1C ZINC001204535327 1133459874 /nfs/dbraw/zinc/45/98/74/1133459874.db2.gz RAHGHBJMOGLRAF-UHFFFAOYSA-N 0 1 297.439 3.548 20 0 CHADMN C/C=C/CO[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001205051158 1133520123 /nfs/dbraw/zinc/52/01/23/1133520123.db2.gz KHDBAOWETYMYET-XYBNCVKDSA-N 0 1 265.784 3.507 20 0 CHADMN CCc1cnc(CN2CCC(C)(C(C)C)CC2)s1 ZINC001205486906 1133581275 /nfs/dbraw/zinc/58/12/75/1133581275.db2.gz XMALPQPCBCQVNH-UHFFFAOYSA-N 0 1 266.454 3.964 20 0 CHADMN Fc1cc(F)cc(CC[N@H+]2CCCC3(CCC3)C2)c1 ZINC001209133133 1133980293 /nfs/dbraw/zinc/98/02/93/1133980293.db2.gz NGAIFEDSWMAGLI-UHFFFAOYSA-N 0 1 265.347 3.773 20 0 CHADMN Cc1ccsc1CNC(C)(C)c1nccs1 ZINC000116380799 1125509765 /nfs/dbraw/zinc/50/97/65/1125509765.db2.gz ANISLKJGVUPBOI-UHFFFAOYSA-N 0 1 252.408 3.538 20 0 CHADMN CCCn1nc(C)c(CN2CCC[C@H]2c2ccccn2)c1C ZINC000536629449 1125511226 /nfs/dbraw/zinc/51/12/26/1125511226.db2.gz LXCVQXUFTRAUKD-SFHVURJKSA-N 0 1 298.434 3.642 20 0 CHADMN Cc1nc(CN(C)C[C@@H](C)c2ccccc2)cs1 ZINC000116877908 1125513116 /nfs/dbraw/zinc/51/31/16/1125513116.db2.gz HDHNFKJSHJCXQK-GFCCVEGCSA-N 0 1 260.406 3.687 20 0 CHADMN COc1ncc(Nc2ccc3[nH]c(C)nc3c2)cc1Cl ZINC001213072152 1125520112 /nfs/dbraw/zinc/52/01/12/1125520112.db2.gz FLCODESRUOPOEB-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1ccoc1CNCc1ccc(F)c(Cl)c1 ZINC000135171137 1125521677 /nfs/dbraw/zinc/52/16/77/1125521677.db2.gz QUVDROIHKWKFDH-UHFFFAOYSA-N 0 1 253.704 3.670 20 0 CHADMN c1csc(CN2CCC3(CCCCC3)CC2)n1 ZINC000135028166 1125521730 /nfs/dbraw/zinc/52/17/30/1125521730.db2.gz DOWISMGBDPGOHL-UHFFFAOYSA-N 0 1 250.411 3.689 20 0 CHADMN Cc1ccc(C[C@@H](C)N(C)Cc2nccs2)cc1 ZINC000135092267 1125521880 /nfs/dbraw/zinc/52/18/80/1125521880.db2.gz SBIMOIITGZEYIT-CYBMUJFWSA-N 0 1 260.406 3.515 20 0 CHADMN C[C@H](c1nnc(-c2ccccc2)o1)N(C)CCC1CC1 ZINC000135267984 1125523522 /nfs/dbraw/zinc/52/35/22/1125523522.db2.gz UOENCOYTPQZKBQ-GFCCVEGCSA-N 0 1 271.364 3.530 20 0 CHADMN CCc1noc(C)c1CN1CCc2ccccc2[C@@H]1C ZINC000119032897 1125527355 /nfs/dbraw/zinc/52/73/55/1125527355.db2.gz IUADRQAOEPNSOW-LBPRGKRZSA-N 0 1 270.376 3.665 20 0 CHADMN CN(CCC1CC1)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000135251862 1125524301 /nfs/dbraw/zinc/52/43/01/1125524301.db2.gz KCRPXEXYJUOGJF-UHFFFAOYSA-N 0 1 292.329 3.852 20 0 CHADMN Cc1ccoc1CN(C)CCO[C@@H]1CCCC[C@@H]1C ZINC000429374424 1125530605 /nfs/dbraw/zinc/53/06/05/1125530605.db2.gz COYRCWVXCPYFQI-DZGCQCFKSA-N 0 1 265.397 3.615 20 0 CHADMN CCOCC1CCN(Cc2c(Cl)cccc2OC)CC1 ZINC000093393886 1125536649 /nfs/dbraw/zinc/53/66/49/1125536649.db2.gz GKPGWFLHRIGBHG-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN CC(C)C[C@@H]1CCCCN1C(=O)c1cccc2c[nH]nc21 ZINC000138406992 1125540426 /nfs/dbraw/zinc/54/04/26/1125540426.db2.gz PBAZUXMVJXAULE-AWEZNQCLSA-N 0 1 285.391 3.604 20 0 CHADMN CCCCC(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000120196499 1125543313 /nfs/dbraw/zinc/54/33/13/1125543313.db2.gz IZQDXOJHVGCJGR-AWEZNQCLSA-N 0 1 299.418 3.768 20 0 CHADMN CCn1cc([C@@H](C)N[C@@H](c2ncccc2C)C(C)C)cn1 ZINC000120569759 1125549060 /nfs/dbraw/zinc/54/90/60/1125549060.db2.gz WKBMAORZGXMZMA-GDBMZVCRSA-N 0 1 286.423 3.654 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@@H](C)c2cnn(CC)c2)c1 ZINC000120593686 1125549465 /nfs/dbraw/zinc/54/94/65/1125549465.db2.gz GPXOUBJGMFSBTQ-KGLIPLIRSA-N 0 1 287.407 3.714 20 0 CHADMN C[N@@H+](CCc1ccccn1)Cc1cc(Cl)ccc1F ZINC000120798210 1125551988 /nfs/dbraw/zinc/55/19/88/1125551988.db2.gz ARVQZNMDZFXTJJ-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN CN(CCc1ccccn1)Cc1cc(Cl)ccc1F ZINC000120798210 1125551995 /nfs/dbraw/zinc/55/19/95/1125551995.db2.gz ARVQZNMDZFXTJJ-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN Fc1ccc([C@H](N[C@H]2CC[C@@H](F)C2)c2ccccc2)nc1 ZINC000348325552 1125561999 /nfs/dbraw/zinc/56/19/99/1125561999.db2.gz LWLOYUIRQCWZTE-UKPHBRMFSA-N 0 1 288.341 3.790 20 0 CHADMN CCCCCC(C)(C)CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000134492645 1125563789 /nfs/dbraw/zinc/56/37/89/1125563789.db2.gz UKICMVLAWPYDKY-CYBMUJFWSA-N 0 1 291.439 3.552 20 0 CHADMN [O-]c1cccc(C[NH2+][C@H]2CC3CCC2CC3)c1Cl ZINC000393274908 1125565681 /nfs/dbraw/zinc/56/56/81/1125565681.db2.gz UQWLUQOVVBTDHC-XIVSLSHWSA-N 0 1 265.784 3.714 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@@H](c3ccccc3)CC2)o1 ZINC000245406234 1125570736 /nfs/dbraw/zinc/57/07/36/1125570736.db2.gz WNDVVJVHGGNMQS-CZUORRHYSA-N 0 1 285.391 3.709 20 0 CHADMN c1ccc2sc([C@H]3CCCN3C[C@H]3CCCO3)nc2c1 ZINC000245381086 1125571108 /nfs/dbraw/zinc/57/11/08/1125571108.db2.gz AGVRSXNSXIWOMY-TZMCWYRMSA-N 0 1 288.416 3.612 20 0 CHADMN COCc1ccc(Nc2ccc3[nH]c(C)nc3c2)cc1F ZINC001213075370 1125581006 /nfs/dbraw/zinc/58/10/06/1125581006.db2.gz QNNRMRQNLWGMFE-UHFFFAOYSA-N 0 1 285.322 3.900 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1Cc1nnc(C(C)(C)C)o1 ZINC000135342135 1125586582 /nfs/dbraw/zinc/58/65/82/1125586582.db2.gz CQWMGDIGBLAHMG-OLZOCXBDSA-N 0 1 279.428 3.768 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000629364429 1125587647 /nfs/dbraw/zinc/58/76/47/1125587647.db2.gz OECFNAHVRJNFLD-WMLDXEAASA-N 0 1 289.419 3.887 20 0 CHADMN CCCN(CC)CC(=O)Nc1cccc2ccccc21 ZINC000532925591 1125588396 /nfs/dbraw/zinc/58/83/96/1125588396.db2.gz CQSNTYNXDUTSSB-UHFFFAOYSA-N 0 1 270.376 3.510 20 0 CHADMN Cc1ccc(CCN2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000532923450 1125590756 /nfs/dbraw/zinc/59/07/56/1125590756.db2.gz VAOTZJWWSYSAPB-LJQANCHMSA-N 0 1 281.399 3.611 20 0 CHADMN CCCCCn1cc(CNCc2ccsc2)c(C)n1 ZINC000348341692 1125598607 /nfs/dbraw/zinc/59/86/07/1125598607.db2.gz FRHNGODIVDJWQZ-UHFFFAOYSA-N 0 1 277.437 3.733 20 0 CHADMN Clc1cnccc1CN1CCS[C@H]2CCCC[C@H]21 ZINC000246222749 1125612319 /nfs/dbraw/zinc/61/23/19/1125612319.db2.gz ZTECAHQKCXQXQO-KGLIPLIRSA-N 0 1 282.840 3.595 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H](C)c1ccnn1CC1CCC1 ZINC000925292266 1125616125 /nfs/dbraw/zinc/61/61/25/1125616125.db2.gz GLFPWNNIMUVXIQ-LSDHHAIUSA-N 0 1 298.434 3.798 20 0 CHADMN CCc1ccc(CNCCOCc2ccc(Cl)cc2)o1 ZINC000533584150 1125617338 /nfs/dbraw/zinc/61/73/38/1125617338.db2.gz TXGUNMSMPDQUOI-UHFFFAOYSA-N 0 1 293.794 3.802 20 0 CHADMN CSC[C@@H]1CCCN1Cc1cc(-c2ccccc2)on1 ZINC000348352636 1125618296 /nfs/dbraw/zinc/61/82/96/1125618296.db2.gz LDQQCXKWRPQQSI-HNNXBMFYSA-N 0 1 288.416 3.669 20 0 CHADMN Fc1cccc(Cl)c1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000533670215 1125621198 /nfs/dbraw/zinc/62/11/98/1125621198.db2.gz DRBBZRRYCKLZOT-ZDUSSCGKSA-N 0 1 297.801 3.728 20 0 CHADMN COCC[N@H+](Cc1ncc(-c2cccs2)o1)CC(C)C ZINC000067376804 1125625377 /nfs/dbraw/zinc/62/53/77/1125625377.db2.gz ITRSTKZRSXVKNN-UHFFFAOYSA-N 0 1 294.420 3.508 20 0 CHADMN COCCN(Cc1ncc(-c2cccs2)o1)CC(C)C ZINC000067376804 1125625379 /nfs/dbraw/zinc/62/53/79/1125625379.db2.gz ITRSTKZRSXVKNN-UHFFFAOYSA-N 0 1 294.420 3.508 20 0 CHADMN Fc1cccc(CNCc2ccccc2OCC(F)F)c1 ZINC000885916347 1125625559 /nfs/dbraw/zinc/62/55/59/1125625559.db2.gz XOYASTQPOBHKCH-UHFFFAOYSA-N 0 1 295.304 3.759 20 0 CHADMN Cc1n[nH]c(CN[C@@H](C)c2ccccc2OC(C)C)c1C ZINC000885924155 1125626940 /nfs/dbraw/zinc/62/69/40/1125626940.db2.gz JBVMZUNMEAOLOB-AWEZNQCLSA-N 0 1 287.407 3.665 20 0 CHADMN Cc1[nH]nc(CN[C@@H](C)c2ccccc2OC(C)C)c1C ZINC000885924155 1125626944 /nfs/dbraw/zinc/62/69/44/1125626944.db2.gz JBVMZUNMEAOLOB-AWEZNQCLSA-N 0 1 287.407 3.665 20 0 CHADMN Cc1n[nH]c(CN[C@H](C)c2ccccc2OC(C)C)c1C ZINC000885924156 1125627858 /nfs/dbraw/zinc/62/78/58/1125627858.db2.gz JBVMZUNMEAOLOB-CQSZACIVSA-N 0 1 287.407 3.665 20 0 CHADMN Cc1[nH]nc(CN[C@H](C)c2ccccc2OC(C)C)c1C ZINC000885924156 1125627863 /nfs/dbraw/zinc/62/78/63/1125627863.db2.gz JBVMZUNMEAOLOB-CQSZACIVSA-N 0 1 287.407 3.665 20 0 CHADMN CCCN(C)Cc1nc(-c2cccs2)oc1C ZINC000069091543 1125628714 /nfs/dbraw/zinc/62/87/14/1125628714.db2.gz BQVJJZQSXHFURC-UHFFFAOYSA-N 0 1 250.367 3.553 20 0 CHADMN C[C@@H](NCc1ccc(Br)cn1)c1ccccc1 ZINC000070395476 1125630838 /nfs/dbraw/zinc/63/08/38/1125630838.db2.gz YGOYTGWVUPHWOL-LLVKDONJSA-N 0 1 291.192 3.695 20 0 CHADMN Cc1coc(CN[C@H](C)[C@H](O)c2c(F)cccc2Cl)c1 ZINC000886005425 1125635686 /nfs/dbraw/zinc/63/56/86/1125635686.db2.gz ASCRREWDYAAPDZ-BMIGLBTASA-N 0 1 297.757 3.592 20 0 CHADMN CCCC(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000073434492 1125638511 /nfs/dbraw/zinc/63/85/11/1125638511.db2.gz IPPPIXPEJNLVOK-GOSISDBHSA-N 0 1 293.370 3.569 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN(C[C@@H]2CCCO2)C2CC2)o1 ZINC000073871802 1125639686 /nfs/dbraw/zinc/63/96/86/1125639686.db2.gz QDSYQXPOMBSLOJ-INWMFGNUSA-N 0 1 275.392 3.546 20 0 CHADMN Cc1coc(CN[C@@H]2CCCc3nc(C)sc32)c1 ZINC000886060085 1125643271 /nfs/dbraw/zinc/64/32/71/1125643271.db2.gz UBRSPCQDHRUHEJ-GFCCVEGCSA-N 0 1 262.378 3.520 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2CCC[C@H](C)[C@H]2C)c(C)c1 ZINC000246565425 1125646051 /nfs/dbraw/zinc/64/60/51/1125646051.db2.gz DPLCRHPPQJLENH-XJKSGUPXSA-N 0 1 288.435 3.671 20 0 CHADMN C[C@H]1CCN(Cc2cccnc2)[C@@H](c2ccco2)C1 ZINC000246955777 1125651567 /nfs/dbraw/zinc/65/15/67/1125651567.db2.gz AVWIKGWONGZZDQ-DZGCQCFKSA-N 0 1 256.349 3.648 20 0 CHADMN CC(C)CN(Cc1nccn1Cc1ccccc1)C1CC1 ZINC000075611107 1125651617 /nfs/dbraw/zinc/65/16/17/1125651617.db2.gz RQIPGJACSOXDGL-UHFFFAOYSA-N 0 1 283.419 3.552 20 0 CHADMN CCSc1cccc(CNCc2cc(C)co2)c1 ZINC000886123044 1125652952 /nfs/dbraw/zinc/65/29/52/1125652952.db2.gz PWZHGDKLXONZLS-UHFFFAOYSA-N 0 1 261.390 3.990 20 0 CHADMN Cc1noc(C)c1C(C)(C)NC/C=C/c1cccc(F)c1 ZINC000886117007 1125653012 /nfs/dbraw/zinc/65/30/12/1125653012.db2.gz XFHKEJSIICPSRK-SOFGYWHQSA-N 0 1 288.366 3.969 20 0 CHADMN C[C@H]1CCN(Cc2cnc3ccccn23)[C@@H](c2ccco2)C1 ZINC000247655181 1125659027 /nfs/dbraw/zinc/65/90/27/1125659027.db2.gz PODAFVGEIJHLLY-GOEBONIOSA-N 0 1 295.386 3.901 20 0 CHADMN Cc1cc(C)nc(Nc2cc3ccccc3n2C)c1 ZINC001212040797 1125659054 /nfs/dbraw/zinc/65/90/54/1125659054.db2.gz LBNBYAMEOXNCOJ-UHFFFAOYSA-N 0 1 251.333 3.934 20 0 CHADMN C[C@H](c1ccccc1)N1CCO[C@@H](c2cccs2)C1 ZINC000247653274 1125659741 /nfs/dbraw/zinc/65/97/41/1125659741.db2.gz WRXOSZDDNWDNGW-UKRRQHHQSA-N 0 1 273.401 3.883 20 0 CHADMN c1ccc(C2=CCCN(C[C@H]3CCC4(CCC4)CO3)C2)nc1 ZINC000886217527 1125661933 /nfs/dbraw/zinc/66/19/33/1125661933.db2.gz BMMIWSIHIDPHNI-QGZVFWFLSA-N 0 1 298.430 3.520 20 0 CHADMN Cc1ncc([C@H](C)[N@H+]2CCC[C@@H]2c2ccco2)c(C)n1 ZINC000638069081 1129241429 /nfs/dbraw/zinc/24/14/29/1129241429.db2.gz ZTFSONLJPDRLJJ-SWLSCSKDSA-N 0 1 271.364 3.585 20 0 CHADMN Cc1ncc([C@H](C)N2CCC[C@@H]2c2ccco2)c(C)n1 ZINC000638069081 1129241434 /nfs/dbraw/zinc/24/14/34/1129241434.db2.gz ZTFSONLJPDRLJJ-SWLSCSKDSA-N 0 1 271.364 3.585 20 0 CHADMN CC(C)[C@@H](CN[C@@H](C)c1ncco1)c1ccccc1 ZINC000886272609 1125665962 /nfs/dbraw/zinc/66/59/62/1125665962.db2.gz VZAYOBFXDCKTFJ-DZGCQCFKSA-N 0 1 258.365 3.765 20 0 CHADMN CCCC[C@@H]1CCC[C@@H]1NCc1nc([C@H](C)OCC)no1 ZINC000248398870 1125667648 /nfs/dbraw/zinc/66/76/48/1125667648.db2.gz NWLMFEKTFPZABM-MJBXVCDLSA-N 0 1 295.427 3.616 20 0 CHADMN CCC[C@@]1(C)CCCN([C@@H](C)c2nc(CC)no2)C1 ZINC000076145916 1125670418 /nfs/dbraw/zinc/67/04/18/1125670418.db2.gz PCUBLGBBXKDLTA-WFASDCNBSA-N 0 1 265.401 3.595 20 0 CHADMN COc1ccc(CN(C)Cc2cc(Cl)ccc2N)cc1 ZINC000093631838 1125673297 /nfs/dbraw/zinc/67/32/97/1125673297.db2.gz VPGMZCXOTLFIHP-UHFFFAOYSA-N 0 1 290.794 3.563 20 0 CHADMN CCN(C)c1ccc(CN(C)[C@H](C)c2cccs2)cn1 ZINC000248911789 1125675703 /nfs/dbraw/zinc/67/57/03/1125675703.db2.gz YGRZJMUBZKSNFB-CYBMUJFWSA-N 0 1 289.448 3.792 20 0 CHADMN CC(C)c1noc(CN[C@@H](Cc2ccccc2)C(C)C)n1 ZINC000886423435 1125677527 /nfs/dbraw/zinc/67/75/27/1125677527.db2.gz BIWUBQKQEAKWQT-HNNXBMFYSA-N 0 1 287.407 3.550 20 0 CHADMN CC(C)c1nnc(CN[C@@H](Cc2ccccc2)C(C)C)o1 ZINC000886423438 1125677919 /nfs/dbraw/zinc/67/79/19/1125677919.db2.gz BKEAZDNKNMBKQB-HNNXBMFYSA-N 0 1 287.407 3.550 20 0 CHADMN C[C@@H]1CN(Cc2csc3ccccc23)[C@@H](C)CO1 ZINC000249983308 1125682720 /nfs/dbraw/zinc/68/27/20/1125682720.db2.gz BCKRJOSSEMKBQW-NWDGAFQWSA-N 0 1 261.390 3.511 20 0 CHADMN CC(C)OCc1ccccc1CN[C@@H]1CCc2cccnc21 ZINC000886512728 1125683206 /nfs/dbraw/zinc/68/32/06/1125683206.db2.gz LYUJOTQQDFONQX-GOSISDBHSA-N 0 1 296.414 3.784 20 0 CHADMN CCCN(Cc1csc([C@@H](C)OCC)n1)CC1CC1 ZINC000076730973 1125683894 /nfs/dbraw/zinc/68/38/94/1125683894.db2.gz ONWPDMDOLWAGIO-GFCCVEGCSA-N 0 1 282.453 3.863 20 0 CHADMN Cc1cnc(CN2CC[C@@H](C)[C@@H]2c2ccccc2)o1 ZINC000886541264 1125686868 /nfs/dbraw/zinc/68/68/68/1125686868.db2.gz SQOKCJMZHQOJRA-MLGOLLRUSA-N 0 1 256.349 3.566 20 0 CHADMN C[C@@H](Cc1ccccc1F)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000237372575 1125690289 /nfs/dbraw/zinc/69/02/89/1125690289.db2.gz QRRMBUWZNFEHRJ-NSHDSACASA-N 0 1 293.769 3.906 20 0 CHADMN CO[C@@H]1CCC[C@@H](Nc2ccc(CN(C)C)c(F)c2)CC1 ZINC000886585675 1125693854 /nfs/dbraw/zinc/69/38/54/1125693854.db2.gz DBHUOVBPYYSQHJ-GDBMZVCRSA-N 0 1 294.414 3.647 20 0 CHADMN CC(C)(C)c1ncc(CNCc2cccc(Cl)c2)cn1 ZINC000284504789 1125696804 /nfs/dbraw/zinc/69/68/04/1125696804.db2.gz XXARPOJXJXBNSZ-UHFFFAOYSA-N 0 1 289.810 3.717 20 0 CHADMN CC[C@H](C)C[C@H](CC)NCc1nccc(C(F)F)n1 ZINC000287195097 1125700366 /nfs/dbraw/zinc/70/03/66/1125700366.db2.gz WBBXWIREDLEZAI-QWRGUYRKSA-N 0 1 271.355 3.719 20 0 CHADMN COc1cccc(C2(N[C@H]3CCc4cccnc43)CCC2)c1 ZINC000886639878 1125700729 /nfs/dbraw/zinc/70/07/29/1125700729.db2.gz NGWRWFXXQMGOTN-KRWDZBQOSA-N 0 1 294.398 3.747 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCCC[C@H](C)C1 ZINC000253585639 1125718924 /nfs/dbraw/zinc/71/89/24/1125718924.db2.gz AJLQMHIOYYNXCR-QWHCGFSZSA-N 0 1 285.391 3.518 20 0 CHADMN C[C@@H](NCc1ccsc1)c1ccnn1-c1ccccc1 ZINC000343466574 1125721061 /nfs/dbraw/zinc/72/10/61/1125721061.db2.gz CUPLWQQEPKDUNK-CYBMUJFWSA-N 0 1 283.400 3.785 20 0 CHADMN CC[C@H](NCc1cnns1)c1cccc2ccccc21 ZINC000886919306 1125724525 /nfs/dbraw/zinc/72/45/25/1125724525.db2.gz HHAQRYQBYQQUAT-INIZCTEOSA-N 0 1 283.400 3.932 20 0 CHADMN CN(CCCc1ccccc1)Cc1cnccc1Cl ZINC001137235507 1125729142 /nfs/dbraw/zinc/72/91/42/1125729142.db2.gz RPNPBJISODHQHV-UHFFFAOYSA-N 0 1 274.795 3.800 20 0 CHADMN Cc1c2cccc(C)c2oc1-c1nc(C2(N)CCCC2)no1 ZINC000261810110 1125744889 /nfs/dbraw/zinc/74/48/89/1125744889.db2.gz PTJMIJGKHBXZEG-UHFFFAOYSA-N 0 1 297.358 3.828 20 0 CHADMN Nc1ncc(CN2CCC[C@H]2c2cccc(Cl)c2)s1 ZINC000261877490 1125746523 /nfs/dbraw/zinc/74/65/23/1125746523.db2.gz QHAYJFWLMITATD-ZDUSSCGKSA-N 0 1 293.823 3.716 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2cccc(N(C)C)n2)c1 ZINC000090850779 1125746924 /nfs/dbraw/zinc/74/69/24/1125746924.db2.gz LWPNNWRXBCOJNT-OAHLLOKOSA-N 0 1 283.419 3.615 20 0 CHADMN C[C@H](N[C@@H]1CCCc2cc(F)ccc21)c1ccccn1 ZINC000090964188 1125747168 /nfs/dbraw/zinc/74/71/68/1125747168.db2.gz HEDULYPHJBXANO-YVEFUNNKSA-N 0 1 270.351 3.949 20 0 CHADMN CC[C@H](CSC)N(C)Cc1ncc(-c2ccccc2)o1 ZINC000091098188 1125748141 /nfs/dbraw/zinc/74/81/41/1125748141.db2.gz VUKOULLBGGSSDM-CQSZACIVSA-N 0 1 290.432 3.915 20 0 CHADMN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N(C)CCCF ZINC000887135926 1125749316 /nfs/dbraw/zinc/74/93/16/1125749316.db2.gz CCHZWBOVVPAPIG-KBPBESRZSA-N 0 1 294.414 3.819 20 0 CHADMN CO[C@H](C)C1CN(Cc2cc(Cl)ccc2SC)C1 ZINC001238681766 1131231461 /nfs/dbraw/zinc/23/14/61/1131231461.db2.gz TWNFZWDKELEBPR-SNVBAGLBSA-N 0 1 285.840 3.529 20 0 CHADMN C[C@H](CN[C@H](C)c1nccs1)Sc1ccccc1 ZINC000091730295 1125751264 /nfs/dbraw/zinc/75/12/64/1125751264.db2.gz VUHWNNABQKAKKI-VXGBXAGGSA-N 0 1 278.446 3.975 20 0 CHADMN C[C@@H](NC1(C2CC2)CCC1)c1nc(Cc2ccccc2)no1 ZINC000887146112 1125753570 /nfs/dbraw/zinc/75/35/70/1125753570.db2.gz GKPPTEAYDJFDCF-CYBMUJFWSA-N 0 1 297.402 3.644 20 0 CHADMN C[C@H](NC1(C2CC2)CCC1)c1ncc(C(C)(C)C)o1 ZINC000887146250 1125754421 /nfs/dbraw/zinc/75/44/21/1125754421.db2.gz NCMDETPUNAZJKO-NSHDSACASA-N 0 1 262.397 3.955 20 0 CHADMN CCN(Cc1ccc(COC)o1)[C@@H](C)c1cccc(O)c1 ZINC000091974821 1125755313 /nfs/dbraw/zinc/75/53/13/1125755313.db2.gz XZZCWCPADPPNFM-ZDUSSCGKSA-N 0 1 289.375 3.715 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2ccccc21)c1cccnc1 ZINC000092743699 1125761670 /nfs/dbraw/zinc/76/16/70/1125761670.db2.gz ZHWHAAVJJHCHQH-CZUORRHYSA-N 0 1 268.360 3.646 20 0 CHADMN c1[nH]nc(-c2cccnc2)c1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000093480718 1125768808 /nfs/dbraw/zinc/76/88/08/1125768808.db2.gz KLCTZERIQSIEPN-RHSMWYFYSA-N 0 1 296.418 3.626 20 0 CHADMN Cc1ccc(NC(=O)Nc2ncc(Cl)cc2O)c(C)c1 ZINC001202739441 1125783094 /nfs/dbraw/zinc/78/30/94/1125783094.db2.gz UPNPCOPYNZAXGV-UHFFFAOYSA-N 0 1 291.738 3.701 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CC[C@@](C)(CF)C1 ZINC001238695283 1131232153 /nfs/dbraw/zinc/23/21/53/1131232153.db2.gz OCIQNLZTTOYWQN-INIZCTEOSA-N 0 1 283.362 3.794 20 0 CHADMN CCOc1cccc(CN2CCC[C@@H]2C)c1Br ZINC001238688686 1131232250 /nfs/dbraw/zinc/23/22/50/1131232250.db2.gz DAGGDSAPARDJFM-NSHDSACASA-N 0 1 298.224 3.832 20 0 CHADMN Cc1ccc(CNCc2cnc(Cl)s2)cc1F ZINC000718199704 1129257591 /nfs/dbraw/zinc/25/75/91/1129257591.db2.gz HLXCBKIWKUMPEC-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN CCCOc1ccc(CNCc2cnc(Cl)s2)cc1 ZINC000718189202 1129257851 /nfs/dbraw/zinc/25/78/51/1129257851.db2.gz IBJYFUAXWGMLFY-UHFFFAOYSA-N 0 1 296.823 3.875 20 0 CHADMN CC[C@H](C(=O)N(CC(C)C)c1ccc(Cl)cc1)N(C)C ZINC000622440504 1129259533 /nfs/dbraw/zinc/25/95/33/1129259533.db2.gz GEHAXACTZWWVHR-OAHLLOKOSA-N 0 1 296.842 3.669 20 0 CHADMN CC(C)c1nnc(CN[C@@H]2CC[C@@H]2C(C)(C)C)s1 ZINC000348073310 1129276948 /nfs/dbraw/zinc/27/69/48/1129276948.db2.gz KZARTRPRRXTCAW-WDEREUQCSA-N 0 1 267.442 3.576 20 0 CHADMN Clc1ccc2c(c1)[C@@H](NCc1ccns1)CCC2 ZINC000639353160 1129305596 /nfs/dbraw/zinc/30/55/96/1129305596.db2.gz QJHSWGVRXHSUED-AWEZNQCLSA-N 0 1 278.808 3.964 20 0 CHADMN CC1(C)CN(CCCOCC(F)(F)F)[C@@H]1c1ccco1 ZINC000639927913 1129340508 /nfs/dbraw/zinc/34/05/08/1129340508.db2.gz UNVITNFJZSIRSG-GFCCVEGCSA-N 0 1 291.313 3.632 20 0 CHADMN CC(C)(C)OCCCNc1ccc2cnccc2c1 ZINC000651271446 1129735807 /nfs/dbraw/zinc/73/58/07/1129735807.db2.gz MLCPDCCYDBQZMG-UHFFFAOYSA-N 0 1 258.365 3.852 20 0 CHADMN COC(C)(C)[C@H]1CCCN1Cc1cc(Cl)ccc1F ZINC001206020347 1129754176 /nfs/dbraw/zinc/75/41/76/1129754176.db2.gz QEOSIEXKOKKYLD-CQSZACIVSA-N 0 1 285.790 3.869 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1c(C)nn(C)c1Cl)C1CC1 ZINC000104967261 1129757575 /nfs/dbraw/zinc/75/75/75/1129757575.db2.gz CXNWJHCWJVXMJC-CMPLNLGQSA-N 0 1 283.847 3.781 20 0 CHADMN CCc1nn(C)c(Cl)c1CN(C)[C@H]1CCC[C@H](C)C1 ZINC000768261308 1129848781 /nfs/dbraw/zinc/84/87/81/1129848781.db2.gz AVNJSFYSQQBSJD-RYUDHWBXSA-N 0 1 283.847 3.646 20 0 CHADMN Cc1ccccc1CN(C)Cc1cnc(Cl)c(C)c1 ZINC000768159978 1129837184 /nfs/dbraw/zinc/83/71/84/1129837184.db2.gz JXASLZKFWOJZBO-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN C[C@@H](CC(=O)OC(C)(C)C)NCc1cscc1Cl ZINC000771960440 1129998269 /nfs/dbraw/zinc/99/82/69/1129998269.db2.gz MBRSSOSPIKOJCU-VIFPVBQESA-N 0 1 289.828 3.611 20 0 CHADMN CCC(O)(CC)CN[C@H](c1cccc(C)c1)c1ccccn1 ZINC000819196209 1131236991 /nfs/dbraw/zinc/23/69/91/1131236991.db2.gz DYRXLESOGVWFFT-GOSISDBHSA-N 0 1 298.430 3.620 20 0 CHADMN CS[C@@H]1CC[C@H](NCc2ncc(C(F)(F)F)s2)C1 ZINC000788522072 1130192703 /nfs/dbraw/zinc/19/27/03/1130192703.db2.gz VANLIQOIAAOPLB-JGVFFNPUSA-N 0 1 296.383 3.536 20 0 CHADMN CS[C@H]1CC[C@H](NCc2ncc(C(F)(F)F)s2)C1 ZINC000788522079 1130192899 /nfs/dbraw/zinc/19/28/99/1130192899.db2.gz VANLIQOIAAOPLB-YUMQZZPRSA-N 0 1 296.383 3.536 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](C)c2ccc(Cl)nc2)s1 ZINC000788984366 1130222272 /nfs/dbraw/zinc/22/22/72/1130222272.db2.gz RKUJRCOCOQRQCY-DTWKUNHWSA-N 0 1 281.812 3.912 20 0 CHADMN CCc1ccccc1NC(=O)CN[C@H](C)c1cccs1 ZINC000192866052 1126705843 /nfs/dbraw/zinc/70/58/43/1126705843.db2.gz MCRMPXADUAXYNT-GFCCVEGCSA-N 0 1 288.416 3.600 20 0 CHADMN c1coc([C@@H](N[C@@H]2CO[C@@H](C3CC3)C2)c2ccccc2)c1 ZINC000667928019 1126706533 /nfs/dbraw/zinc/70/65/33/1126706533.db2.gz NCHNDLOEXMLALJ-JQHSSLGASA-N 0 1 283.371 3.526 20 0 CHADMN CC(C)C[C@H]1OCCC[C@H]1NCc1c(F)cccc1F ZINC000481718042 1126709272 /nfs/dbraw/zinc/70/92/72/1126709272.db2.gz PBTRIKXHIDDOTR-HZPDHXFCSA-N 0 1 283.362 3.648 20 0 CHADMN Cn1nccc1[C@H]1CCCN(Cc2ccc(Cl)s2)C1 ZINC000338027469 1126712505 /nfs/dbraw/zinc/71/25/05/1126712505.db2.gz IBOPFDWEHYGVNO-NSHDSACASA-N 0 1 295.839 3.515 20 0 CHADMN CCC(CC)CN(CC)[C@H](C)c1nnc(C)s1 ZINC000338264397 1126728251 /nfs/dbraw/zinc/72/82/51/1126728251.db2.gz OELPWHMEPXLVQF-SNVBAGLBSA-N 0 1 255.431 3.666 20 0 CHADMN CC(C)CCc1nc(CN2CC[C@@H](C)C2)cs1 ZINC000338260526 1126728316 /nfs/dbraw/zinc/72/83/16/1126728316.db2.gz ICQNCXUXEKFIGI-GFCCVEGCSA-N 0 1 252.427 3.574 20 0 CHADMN CC(C)N(Cc1ncnn1C(C)(C)C)C1CCCCC1 ZINC000338271979 1126729424 /nfs/dbraw/zinc/72/94/24/1126729424.db2.gz CHLMIDCEEGJVRO-UHFFFAOYSA-N 0 1 278.444 3.576 20 0 CHADMN CC(C)c1cccc(CN(C)Cc2ccncc2)c1 ZINC000667976543 1126733683 /nfs/dbraw/zinc/73/36/83/1126733683.db2.gz VLYWQNCMTZSUFH-UHFFFAOYSA-N 0 1 254.377 3.837 20 0 CHADMN CN(C)c1cccc(CN(C)Cc2cc(F)cc(F)c2)c1 ZINC000338344988 1126736024 /nfs/dbraw/zinc/73/60/24/1126736024.db2.gz MFYLHARSXUACPB-UHFFFAOYSA-N 0 1 290.357 3.663 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@H](C(C)(C)C)C2)s1 ZINC000338342046 1126736072 /nfs/dbraw/zinc/73/60/72/1126736072.db2.gz FFJMXCYHAWOOLS-PWSUYJOCSA-N 0 1 267.442 3.666 20 0 CHADMN Cc1nc(CN(C)[C@@H](C)C2CCCCC2)cs1 ZINC000338356120 1126736912 /nfs/dbraw/zinc/73/69/12/1126736912.db2.gz KTXXQMRDIFKSPK-NSHDSACASA-N 0 1 252.427 3.852 20 0 CHADMN Cc1cc2[nH]c(CN3CCS[C@@H](C)C3)cc2c(C)c1 ZINC000482002031 1126736995 /nfs/dbraw/zinc/73/69/95/1126736995.db2.gz OINBAMUGTREARS-ZDUSSCGKSA-N 0 1 274.433 3.722 20 0 CHADMN COc1c(Br)cccc1CN1C[C@H](C)C[C@@H]1C ZINC000481992151 1126738236 /nfs/dbraw/zinc/73/82/36/1126738236.db2.gz QBFZTSFWMYGBDB-MNOVXSKESA-N 0 1 298.224 3.688 20 0 CHADMN Cc1cc2[nH]c(C[N@@H+](C)C[C@H]3CCCCO3)cc2c(C)c1 ZINC000482008965 1126738965 /nfs/dbraw/zinc/73/89/65/1126738965.db2.gz OJDYPUHIXQXRIO-MRXNPFEDSA-N 0 1 286.419 3.786 20 0 CHADMN COc1cccc(C2(NCc3ccc(F)c(F)c3)CC2)c1 ZINC000150899785 1126747154 /nfs/dbraw/zinc/74/71/54/1126747154.db2.gz GMJJFIAURBYKNO-UHFFFAOYSA-N 0 1 289.325 3.752 20 0 CHADMN CC1(C)CN(Cc2cc3ccncc3s2)CC(C)(C)O1 ZINC000668035800 1126754766 /nfs/dbraw/zinc/75/47/66/1126754766.db2.gz WVCYMYARGAHIMK-UHFFFAOYSA-N 0 1 290.432 3.686 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1nc(C2CCCCC2)no1 ZINC000668051361 1126757396 /nfs/dbraw/zinc/75/73/96/1126757396.db2.gz OMJKQMNOTDNSDZ-REBRKWNGSA-N 0 1 289.423 3.957 20 0 CHADMN Cc1noc([C@H](C)N[C@@H](C)Cc2ccc3c(c2)CCCC3)n1 ZINC000668050147 1126757458 /nfs/dbraw/zinc/75/74/58/1126757458.db2.gz HJSCERDPXDUFGS-STQMWFEESA-N 0 1 299.418 3.539 20 0 CHADMN c1c(CN2CCC(c3ccccc3)CC2)onc1C1CC1 ZINC000659821565 1126761453 /nfs/dbraw/zinc/76/14/53/1126761453.db2.gz DDZVIERXPGDJGU-UHFFFAOYSA-N 0 1 282.387 3.932 20 0 CHADMN C[C@H](N[C@H]1CCC1(C)C)c1nnc(-c2cccs2)o1 ZINC000653746489 1126764455 /nfs/dbraw/zinc/76/44/55/1126764455.db2.gz WELAZGGCYXVNEA-ONGXEEELSA-N 0 1 277.393 3.637 20 0 CHADMN CC[C@@](C)(NCc1ccccc1)c1nc(C)cs1 ZINC000174500167 1126770952 /nfs/dbraw/zinc/77/09/52/1126770952.db2.gz FPDGFECXLVSHDM-OAHLLOKOSA-N 0 1 260.406 3.867 20 0 CHADMN CC[C@@H](C)CN(CC)Cc1csc(N(C)C2CC2)n1 ZINC000483223230 1126773466 /nfs/dbraw/zinc/77/34/66/1126773466.db2.gz DCOHKCGLMHVNAA-GFCCVEGCSA-N 0 1 281.469 3.610 20 0 CHADMN CC(C)(C)[C@H]1CCCN(CC(=O)Nc2ccccc2F)C1 ZINC000483239727 1126773852 /nfs/dbraw/zinc/77/38/52/1126773852.db2.gz SUIBHFNUKVIFPE-ZDUSSCGKSA-N 0 1 292.398 3.522 20 0 CHADMN CC(C)(C)c1noc(CN2CCC[C@H](C(C)(C)C)C2)n1 ZINC000483242837 1126775126 /nfs/dbraw/zinc/77/51/26/1126775126.db2.gz XSKKCFKZBJAYDL-LBPRGKRZSA-N 0 1 279.428 3.625 20 0 CHADMN CC[C@@H](NCc1noc(C(C)C)n1)C1CCCCC1 ZINC000678896158 1130467398 /nfs/dbraw/zinc/46/73/98/1130467398.db2.gz ZGADYGQUOIWDAJ-CYBMUJFWSA-N 0 1 265.401 3.642 20 0 CHADMN CCC[C@H](CCc1ccccc1)N[C@H](C)c1nc(C)no1 ZINC000483360031 1126782305 /nfs/dbraw/zinc/78/23/05/1126782305.db2.gz VHRQCCRVGXVZPS-CZUORRHYSA-N 0 1 287.407 3.830 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1cnc(Cl)s1 ZINC000175459157 1126782589 /nfs/dbraw/zinc/78/25/89/1126782589.db2.gz PKGVYYNOYPPFJS-VIFPVBQESA-N 0 1 278.874 3.760 20 0 CHADMN CC[C@H](NCc1cc[nH]c1)c1ccc(F)cc1F ZINC000175712339 1126785685 /nfs/dbraw/zinc/78/56/85/1126785685.db2.gz FXBBLFNCSXADFA-AWEZNQCLSA-N 0 1 250.292 3.534 20 0 CHADMN CC(C)n1cc(CNC(C)(C)c2ccc(F)c(F)c2)cn1 ZINC000175988200 1126788019 /nfs/dbraw/zinc/78/80/19/1126788019.db2.gz TZHUYKYLTIIWBO-UHFFFAOYSA-N 0 1 293.361 3.767 20 0 CHADMN Cc1cccc2[nH]c(CN3CC(CC(F)F)C3)cc21 ZINC000668251286 1126790136 /nfs/dbraw/zinc/79/01/36/1126790136.db2.gz UPIJYLYTLVJZMK-UHFFFAOYSA-N 0 1 264.319 3.563 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)NCC(C)(C)C)n2)cc1 ZINC000483666244 1126796292 /nfs/dbraw/zinc/79/62/92/1126796292.db2.gz XRZKGEPYUIVOCP-LBPRGKRZSA-N 0 1 287.407 3.996 20 0 CHADMN COc1cccc(CN2CCc3cc(C)ccc3C2)c1 ZINC000483656618 1126797099 /nfs/dbraw/zinc/79/70/99/1126797099.db2.gz GCLALTJPJUQWRB-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN COCc1csc(CNCc2cc(C)nc(Cl)c2)c1 ZINC000827237898 1130512499 /nfs/dbraw/zinc/51/24/99/1130512499.db2.gz YOZZGTVWWCQORQ-UHFFFAOYSA-N 0 1 296.823 3.541 20 0 CHADMN CCCN1CCC[C@@H]1c1nc(-c2ccc(C)c(F)c2)no1 ZINC000483839708 1126803615 /nfs/dbraw/zinc/80/36/15/1126803615.db2.gz SKKOSOIKDQGYPQ-CQSZACIVSA-N 0 1 289.354 3.731 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnn(C)c1C)c1cc(F)ccc1F ZINC000177958994 1126807393 /nfs/dbraw/zinc/80/73/93/1126807393.db2.gz QPJQDVYENQOXNU-MGPLVRAMSA-N 0 1 293.361 3.809 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnn(C)c1C)c1ccc(F)cc1F ZINC000177960918 1126807894 /nfs/dbraw/zinc/80/78/94/1126807894.db2.gz SFZDDJQKKPIILM-QLJPJBMISA-N 0 1 293.361 3.809 20 0 CHADMN CC(C)(CC1CCCCCC1)NCc1ncccn1 ZINC000483992887 1126809099 /nfs/dbraw/zinc/80/90/99/1126809099.db2.gz HSJDTHPHKSXIQJ-UHFFFAOYSA-N 0 1 261.413 3.705 20 0 CHADMN COc1ccc(Cl)c(C[N@@H+](C)CCC2CC2)c1 ZINC000484090682 1126810477 /nfs/dbraw/zinc/81/04/77/1126810477.db2.gz AZJJXJDLWDNFFR-UHFFFAOYSA-N 0 1 253.773 3.581 20 0 CHADMN CCN(Cc1cnc(C)s1)[C@@H](C)c1cccc(O)c1 ZINC000178374369 1126811899 /nfs/dbraw/zinc/81/18/99/1126811899.db2.gz AUFCIFWZKAMPFS-NSHDSACASA-N 0 1 276.405 3.740 20 0 CHADMN Cn1ccnc1CNC1(c2cccc(Cl)c2)CCCC1 ZINC000178443297 1126813550 /nfs/dbraw/zinc/81/35/50/1126813550.db2.gz HJYTVWTVGOPETO-UHFFFAOYSA-N 0 1 289.810 3.633 20 0 CHADMN C[C@@H](O)c1ccc(CN[C@H](C)c2ccc(F)cc2F)cc1 ZINC000178546747 1126815932 /nfs/dbraw/zinc/81/59/32/1126815932.db2.gz DIWDPFVUBYDMPM-VXGBXAGGSA-N 0 1 291.341 3.869 20 0 CHADMN COc1ccccc1[C@H](C)NCc1ccc([C@H](C)O)cc1 ZINC000178548553 1126816406 /nfs/dbraw/zinc/81/64/06/1126816406.db2.gz IIGRCWBHLPBAPF-KBPBESRZSA-N 0 1 285.387 3.599 20 0 CHADMN C[C@@H](NCc1ccc([C@H](C)O)cc1)c1cccnc1Cl ZINC000178547972 1126816541 /nfs/dbraw/zinc/81/65/41/1126816541.db2.gz IQJXFPATNDODNE-NEPJUHHUSA-N 0 1 290.794 3.639 20 0 CHADMN COc1ccc(CSc2nc(C3CC3)n[nH]2)cc1Cl ZINC000179030119 1126822209 /nfs/dbraw/zinc/82/22/09/1126822209.db2.gz ZAFROYXYINJTJH-UHFFFAOYSA-N 0 1 295.795 3.636 20 0 CHADMN COc1ccc(CSc2n[nH]c(C3CC3)n2)cc1Cl ZINC000179030119 1126822214 /nfs/dbraw/zinc/82/22/14/1126822214.db2.gz ZAFROYXYINJTJH-UHFFFAOYSA-N 0 1 295.795 3.636 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cccc(C)c2C)n1 ZINC000178753943 1126819514 /nfs/dbraw/zinc/81/95/14/1126819514.db2.gz FTIJMNALICTLPM-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN c1cc(CN[C@H]2CCCOc3cc4c(cc32)CCC4)co1 ZINC000179103900 1126823163 /nfs/dbraw/zinc/82/31/63/1126823163.db2.gz BHIQOGRLWZLFTG-KRWDZBQOSA-N 0 1 283.371 3.772 20 0 CHADMN CC(C)OCc1ccccc1CN[C@@H](C)c1ccns1 ZINC000924794088 1126823577 /nfs/dbraw/zinc/82/35/77/1126823577.db2.gz BXAGVOTZFNXVOM-ZDUSSCGKSA-N 0 1 290.432 3.919 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(-c2ccccc2Cl)no1 ZINC000904080006 1126827000 /nfs/dbraw/zinc/82/70/00/1126827000.db2.gz SWEOMCKRELAGLV-LBPRGKRZSA-N 0 1 279.771 3.697 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2cc3ccccc3cc2F)n1 ZINC000904076158 1126827072 /nfs/dbraw/zinc/82/70/72/1126827072.db2.gz XFXIPASEDVFLPJ-CQSZACIVSA-N 0 1 285.322 3.685 20 0 CHADMN CO[C@H]1CCCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000679952369 1130565571 /nfs/dbraw/zinc/56/55/71/1130565571.db2.gz IRJYEPSHSLSNFU-ZDUSSCGKSA-N 0 1 288.218 3.994 20 0 CHADMN Cc1ncsc1CN(C)Cc1cccc(C)c1C ZINC000179427180 1126828014 /nfs/dbraw/zinc/82/80/14/1126828014.db2.gz GCGKZPMGUAWEIL-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN CC(C)Oc1ccc(CN(C)Cc2cccnc2)cc1 ZINC000179520178 1126829747 /nfs/dbraw/zinc/82/97/47/1126829747.db2.gz COEVLTRGIQRZEI-UHFFFAOYSA-N 0 1 270.376 3.501 20 0 CHADMN COc1cc(F)cc(CN[C@H](C)c2ccc(Cl)nc2)c1 ZINC000179596374 1126830791 /nfs/dbraw/zinc/83/07/91/1126830791.db2.gz PEWDXQNCZMNUCT-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN CC(=O)[C@@H](C)CCCCC(=O)Nc1cccc(Cl)c1O ZINC000179725455 1126833102 /nfs/dbraw/zinc/83/31/02/1126833102.db2.gz KXERQKPRVUYCNJ-JTQLQIEISA-N 0 1 297.782 3.770 20 0 CHADMN CC(C)[C@@H](C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179844216 1126834578 /nfs/dbraw/zinc/83/45/78/1126834578.db2.gz DXHJWKMUECCWMZ-MRVPVSSYSA-N 0 1 281.306 3.731 20 0 CHADMN CC(C)n1cc(CN2CCCC[C@H]2c2cccn2C)cn1 ZINC000180205704 1126840242 /nfs/dbraw/zinc/84/02/42/1126840242.db2.gz OAJJHDMSOHCJHY-KRWDZBQOSA-N 0 1 286.423 3.530 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2ccc3c(c2)CCC3)n1 ZINC000484692448 1126840993 /nfs/dbraw/zinc/84/09/93/1126840993.db2.gz XTYSYWJLTVMBTK-UHFFFAOYSA-N 0 1 287.432 3.883 20 0 CHADMN CC(C)(C)c1nc(SCc2ccc3c(c2)CCC3)n[nH]1 ZINC000484692448 1126841000 /nfs/dbraw/zinc/84/10/00/1126841000.db2.gz XTYSYWJLTVMBTK-UHFFFAOYSA-N 0 1 287.432 3.883 20 0 CHADMN CC[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1F ZINC000180220859 1126841682 /nfs/dbraw/zinc/84/16/82/1126841682.db2.gz JSHCCAOSRDKAGX-OKZBNKHCSA-N 0 1 285.362 3.525 20 0 CHADMN CC[C@H](CSC)N(C)Cc1cc(-c2ccco2)on1 ZINC000180660122 1126847044 /nfs/dbraw/zinc/84/70/44/1126847044.db2.gz KWPOTJOFCKXVTI-GFCCVEGCSA-N 0 1 280.393 3.508 20 0 CHADMN Cc1ncccc1CNCc1cc(Br)cs1 ZINC000163854674 1126851132 /nfs/dbraw/zinc/85/11/32/1126851132.db2.gz PVIAFQWJLPXQLU-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN Fc1ccc(-c2noc(-c3cc4cccnc4[nH]3)n2)cc1F ZINC000904368162 1126849484 /nfs/dbraw/zinc/84/94/84/1126849484.db2.gz ARHBHGGAUHVTDL-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN Cc1cc(-c2noc(-c3cc4cccnc4[nH]3)n2)ccc1F ZINC000904398273 1126852631 /nfs/dbraw/zinc/85/26/31/1126852631.db2.gz OPXIBYXRSUKCNA-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@@H](C)Sc2ccc(F)cc2)n1 ZINC000904500121 1126854067 /nfs/dbraw/zinc/85/40/67/1126854067.db2.gz NWCYTRHRYRFLOJ-BXKDBHETSA-N 0 1 295.383 3.718 20 0 CHADMN CCc1ccc(-c2noc(-c3cc4cccnc4[nH]3)n2)cc1 ZINC000904573834 1126860198 /nfs/dbraw/zinc/86/01/98/1126860198.db2.gz FGGHBESRTKAXER-UHFFFAOYSA-N 0 1 290.326 3.842 20 0 CHADMN C[C@@H](c1ccco1)N(C)CCC(=O)c1ccccc1 ZINC000182105070 1126865709 /nfs/dbraw/zinc/86/57/09/1126865709.db2.gz BAWVKBIRAKOTOS-ZDUSSCGKSA-N 0 1 257.333 3.545 20 0 CHADMN C[C@@H](Sc1nc(C2CC2)n[nH]1)c1nc2ccccc2o1 ZINC000182271145 1126868919 /nfs/dbraw/zinc/86/89/19/1126868919.db2.gz SAOGSUGZXILHFX-MRVPVSSYSA-N 0 1 286.360 3.677 20 0 CHADMN C[C@@H](Sc1n[nH]c(C2CC2)n1)c1nc2ccccc2o1 ZINC000182271145 1126868924 /nfs/dbraw/zinc/86/89/24/1126868924.db2.gz SAOGSUGZXILHFX-MRVPVSSYSA-N 0 1 286.360 3.677 20 0 CHADMN CC[C@H](NCCSc1ccc(C)cc1)c1nccn1C ZINC000182232941 1126869039 /nfs/dbraw/zinc/86/90/39/1126869039.db2.gz AHJCUYARCZTRCB-HNNXBMFYSA-N 0 1 289.448 3.562 20 0 CHADMN Cc1ccc2c(c1)N(C(=O)c1cc(Cl)ccc1O)CC2 ZINC000621978632 1129211637 /nfs/dbraw/zinc/21/16/37/1129211637.db2.gz RSWUGJCHUMVQOF-UHFFFAOYSA-N 0 1 287.746 3.557 20 0 CHADMN CC[C@H](C)[C@@H](C)NCc1noc(-c2ccccc2C)n1 ZINC000183028013 1126880632 /nfs/dbraw/zinc/88/06/32/1126880632.db2.gz LFQMCTXXTXIOLZ-WCQYABFASA-N 0 1 273.380 3.569 20 0 CHADMN CC[N@H+]1CCC[C@H](Oc2c(F)ccc(SC)c2F)C1 ZINC001234932099 1130693643 /nfs/dbraw/zinc/69/36/43/1130693643.db2.gz BAYSYLZLZLGMML-JTQLQIEISA-N 0 1 287.375 3.550 20 0 CHADMN CCN1CCC[C@H](Oc2c(F)ccc(SC)c2F)C1 ZINC001234932099 1130693646 /nfs/dbraw/zinc/69/36/46/1130693646.db2.gz BAYSYLZLZLGMML-JTQLQIEISA-N 0 1 287.375 3.550 20 0 CHADMN CCCN(Cc1sc(C)nc1C(F)(F)F)C1CC1 ZINC000183580049 1126889599 /nfs/dbraw/zinc/88/95/99/1126889599.db2.gz QTUGDGWQXZTUSW-UHFFFAOYSA-N 0 1 278.343 3.845 20 0 CHADMN CC(C)Oc1ccc(CN(C)Cc2ccncc2)cc1 ZINC000183748581 1126891913 /nfs/dbraw/zinc/89/19/13/1126891913.db2.gz SPWYTJZRVWIARQ-UHFFFAOYSA-N 0 1 270.376 3.501 20 0 CHADMN CCC[C@@H]1CCCN(Cc2csc(N(C)C3CC3)n2)C1 ZINC000485190022 1126892443 /nfs/dbraw/zinc/89/24/43/1126892443.db2.gz CPRIQBUJVXJBLT-CYBMUJFWSA-N 0 1 293.480 3.754 20 0 CHADMN Cc1cc(Cl)c(CN2C[C@@H](C)C[C@H]2CO)c(Cl)c1 ZINC001235177776 1130718486 /nfs/dbraw/zinc/71/84/86/1130718486.db2.gz VMXANMDSAMKCGL-QWRGUYRKSA-N 0 1 288.218 3.505 20 0 CHADMN Cn1cc(CN2CC3(C2)CCCC3)c(C2CCCCC2)n1 ZINC000485297753 1126902724 /nfs/dbraw/zinc/90/27/24/1126902724.db2.gz BTZJUYYZIQLYNO-UHFFFAOYSA-N 0 1 287.451 3.844 20 0 CHADMN Cc1cc(CN2CCO[C@@](C)(C3CC3)C2)cc2cccnc12 ZINC000668464165 1126906118 /nfs/dbraw/zinc/90/61/18/1126906118.db2.gz SLQAUFLPDGSBPQ-LJQANCHMSA-N 0 1 296.414 3.544 20 0 CHADMN Cc1cnccc1CNCc1ccccc1OC1CCC1 ZINC000568955718 1126910777 /nfs/dbraw/zinc/91/07/77/1126910777.db2.gz URKHJPPJOMCJSS-UHFFFAOYSA-N 0 1 282.387 3.611 20 0 CHADMN COCc1csc(CN2CCc3ccc(C)cc3C2)c1 ZINC000668478550 1126911165 /nfs/dbraw/zinc/91/11/65/1126911165.db2.gz HBCGDPJRRGCYDW-UHFFFAOYSA-N 0 1 287.428 3.761 20 0 CHADMN CCC[C@@H](NCc1cc(F)ccc1OC)c1cccnc1 ZINC000187588016 1126912280 /nfs/dbraw/zinc/91/22/80/1126912280.db2.gz QKJSVBVZFJYLFA-MRXNPFEDSA-N 0 1 288.366 3.860 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](N[C@H](C)c1cnccn1)CC2 ZINC000187801484 1126914995 /nfs/dbraw/zinc/91/49/95/1126914995.db2.gz AUNYPRZVCFILEL-DYVFJYSZSA-N 0 1 281.403 3.938 20 0 CHADMN CC[C@H](c1ccccc1)n1cc(CN(C)C(C)(C)C)nn1 ZINC000905797234 1126916411 /nfs/dbraw/zinc/91/64/11/1126916411.db2.gz GNUMWKNJOMCWLW-MRXNPFEDSA-N 0 1 286.423 3.508 20 0 CHADMN C[C@H]1CCCCN(Cc2csc(-c3ccccn3)n2)C1 ZINC000187910975 1126916847 /nfs/dbraw/zinc/91/68/47/1126916847.db2.gz AWJDCFWKHPSZIK-ZDUSSCGKSA-N 0 1 287.432 3.827 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H](c1ccccc1)C1CCC1 ZINC000187951676 1126917884 /nfs/dbraw/zinc/91/78/84/1126917884.db2.gz FVZKSTGWEXAYSK-KDOFPFPSSA-N 0 1 281.403 3.977 20 0 CHADMN O[C@@H](CN1CC[C@@H]1C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000905954903 1126923599 /nfs/dbraw/zinc/92/35/99/1126923599.db2.gz DEUBTVYAPRFVKG-KGLIPLIRSA-N 0 1 286.202 3.511 20 0 CHADMN CO[C@@H]1CCC[C@H](Nc2nccc(C)c2C2CC2)C1 ZINC000668511843 1126924187 /nfs/dbraw/zinc/92/41/87/1126924187.db2.gz LLYNEKNNVMTNAC-UONOGXRCSA-N 0 1 260.381 3.637 20 0 CHADMN CSCc1cccc(CN[C@H](C)c2ccco2)c1 ZINC000188718154 1126925210 /nfs/dbraw/zinc/92/52/10/1126925210.db2.gz DBFBXQVGVCXHMU-GFCCVEGCSA-N 0 1 261.390 3.993 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCC([C@@H]2CCCO2)CC1 ZINC000189123249 1126927980 /nfs/dbraw/zinc/92/79/80/1126927980.db2.gz ZJRHVZJXVWHZBJ-PXAZEXFGSA-N 0 1 295.373 3.917 20 0 CHADMN CC(C)c1cnc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)o1 ZINC000782106705 1130755269 /nfs/dbraw/zinc/75/52/69/1130755269.db2.gz ILWGJEDNTQOEAH-CZUORRHYSA-N 0 1 262.397 3.810 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC([C@H]2CCCO2)CC1 ZINC000189242201 1126929935 /nfs/dbraw/zinc/92/99/35/1126929935.db2.gz FGPFEQPRZHDUMU-SJKOYZFVSA-N 0 1 295.373 3.917 20 0 CHADMN CCN(Cc1cncc(C)c1)[C@H](C)c1cccc(O)c1 ZINC000189916642 1126935904 /nfs/dbraw/zinc/93/59/04/1126935904.db2.gz SXHPSHIFOMXDCX-CQSZACIVSA-N 0 1 270.376 3.679 20 0 CHADMN Cc1cncc(CN2C[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000189915327 1126936047 /nfs/dbraw/zinc/93/60/47/1126936047.db2.gz KMOOTSJDDBUUBQ-RHSMWYFYSA-N 0 1 252.361 3.583 20 0 CHADMN Cc1cncc(CN(CCC(F)(F)F)CC2CC2)c1 ZINC000189919661 1126936403 /nfs/dbraw/zinc/93/64/03/1126936403.db2.gz ZGGBULRPUVQAPB-UHFFFAOYSA-N 0 1 272.314 3.554 20 0 CHADMN CCc1ccc(-c2cnc([C@H]3CCCCN3)nc2)cc1 ZINC000906161208 1126936590 /nfs/dbraw/zinc/93/65/90/1126936590.db2.gz CVXIESRFOLRGIY-MRXNPFEDSA-N 0 1 267.376 3.521 20 0 CHADMN Cc1cc(-c2cnc([C@H]3CCCCN3)nc2)c(F)cc1F ZINC000906161910 1126936956 /nfs/dbraw/zinc/93/69/56/1126936956.db2.gz PJTCWZYMPSZEAM-OAHLLOKOSA-N 0 1 289.329 3.545 20 0 CHADMN Cc1nc2c(s1)[C@@H](N(C)Cc1cncc(C)c1)CCC2 ZINC000189953237 1126937252 /nfs/dbraw/zinc/93/72/52/1126937252.db2.gz HQXFBGNERBOCJS-HNNXBMFYSA-N 0 1 287.432 3.664 20 0 CHADMN CCOC[C@@H](N[C@@H](C)c1nc2ccccc2o1)C(C)C ZINC000189794937 1126935157 /nfs/dbraw/zinc/93/51/57/1126935157.db2.gz XFIBJHRWMYMVEP-GXTWGEPZSA-N 0 1 276.380 3.540 20 0 CHADMN CSc1cccc(-c2cnc([C@@H]3CCCCN3)nc2)c1 ZINC000906193255 1126939611 /nfs/dbraw/zinc/93/96/11/1126939611.db2.gz MQZFSAPWTVMWBC-HNNXBMFYSA-N 0 1 285.416 3.680 20 0 CHADMN Cc1ccc(Cl)cc1-c1cnc([C@@H]2CCCCN2)nc1 ZINC000906197185 1126941122 /nfs/dbraw/zinc/94/11/22/1126941122.db2.gz CPPKUGCDWHCRSX-HNNXBMFYSA-N 0 1 287.794 3.920 20 0 CHADMN COC(=O)C(C)(C)N(C)Cc1c(C)ccc2ccccc21 ZINC000485692761 1126942458 /nfs/dbraw/zinc/94/24/58/1126942458.db2.gz GEOOKDDRLQRCLI-UHFFFAOYSA-N 0 1 285.387 3.532 20 0 CHADMN Fc1ccc(CN[C@H]2CCOc3c(F)cccc32)cc1F ZINC000191121306 1126948083 /nfs/dbraw/zinc/94/80/83/1126948083.db2.gz PSLAZBSEYLDLTJ-HNNXBMFYSA-N 0 1 293.288 3.717 20 0 CHADMN CC1=CCC[C@@H](C)[C@H]1CN(C)Cc1nccn1C(F)F ZINC000191049651 1126946947 /nfs/dbraw/zinc/94/69/47/1126946947.db2.gz NNPGQPNBHUFWIO-OLZOCXBDSA-N 0 1 283.366 3.702 20 0 CHADMN CC(C)c1nnc(CN[C@@H]2CCC[C@H]2Cc2ccccc2)o1 ZINC000191355715 1126951116 /nfs/dbraw/zinc/95/11/16/1126951116.db2.gz IXOOBRFHPRVDML-JKSUJKDBSA-N 0 1 299.418 3.694 20 0 CHADMN CCc1noc([C@H](C)N[C@@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000191359327 1126951496 /nfs/dbraw/zinc/95/14/96/1126951496.db2.gz QZSYOSXGMCGYFX-NUEKZKHPSA-N 0 1 299.418 3.694 20 0 CHADMN CC[C@H]1CN(Cc2cocn2)CC[C@@H]1c1ccccc1 ZINC000191949457 1126956397 /nfs/dbraw/zinc/95/63/97/1126956397.db2.gz AIYCFPMOCSZAQP-YOEHRIQHSA-N 0 1 270.376 3.690 20 0 CHADMN CCc1ncc(CNCc2ccc(-c3cnco3)cc2)s1 ZINC000906520670 1126956892 /nfs/dbraw/zinc/95/68/92/1126956892.db2.gz UFDCIMKIEZJYKC-UHFFFAOYSA-N 0 1 299.399 3.650 20 0 CHADMN CCCNc1ccc(CNCc2cc(O)cc(F)c2)cc1 ZINC000193152202 1126966912 /nfs/dbraw/zinc/96/69/12/1126966912.db2.gz VAHAFSXZQADPMC-UHFFFAOYSA-N 0 1 288.366 3.643 20 0 CHADMN CCCOc1cccc(NC(=O)c2cn[nH]c2C(C)C)c1 ZINC000193412581 1126968239 /nfs/dbraw/zinc/96/82/39/1126968239.db2.gz VESJVCKHRCEPTG-UHFFFAOYSA-N 0 1 287.363 3.574 20 0 CHADMN COC[C@@H](N[C@H](C)c1ccncc1)c1ccc(Cl)cc1 ZINC000193941422 1126972021 /nfs/dbraw/zinc/97/20/21/1126972021.db2.gz NRKBFKSDPOZBQD-MLGOLLRUSA-N 0 1 290.794 3.773 20 0 CHADMN C=Cn1cc(CN[C@@H](CC)c2ccccc2OCC)cn1 ZINC000194280167 1126972709 /nfs/dbraw/zinc/97/27/09/1126972709.db2.gz KRKWIUMFGFAZMA-INIZCTEOSA-N 0 1 285.391 3.623 20 0 CHADMN Oc1c(F)cc(F)c(-c2cc(C(F)F)ccn2)c1F ZINC001235983780 1130823494 /nfs/dbraw/zinc/82/34/94/1130823494.db2.gz GYSXQDXZGGAKEW-UHFFFAOYSA-N 0 1 275.176 3.809 20 0 CHADMN C[C@@H]1CCN(Cc2cc(Cl)cs2)C[C@@H]1n1ccnc1 ZINC000194433504 1126974887 /nfs/dbraw/zinc/97/48/87/1126974887.db2.gz JXHDJFZWSQAQSJ-RISCZKNCSA-N 0 1 295.839 3.681 20 0 CHADMN Cc1cccc([C@@H](NC[C@H]2CCC=CO2)c2ccccn2)c1 ZINC000194534930 1126976134 /nfs/dbraw/zinc/97/61/34/1126976134.db2.gz CVANDGKQKZZFDR-IEBWSBKVSA-N 0 1 294.398 3.762 20 0 CHADMN Cc1nc(C)c(C(=O)N2CCC[C@H](C)c3ccccc32)[nH]1 ZINC000907358638 1126976791 /nfs/dbraw/zinc/97/67/91/1126976791.db2.gz NZUJZYGOWRBZQX-NSHDSACASA-N 0 1 283.375 3.571 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@@H](C)c1cn(C)nc1C ZINC000194883303 1126977854 /nfs/dbraw/zinc/97/78/54/1126977854.db2.gz SWEOZTOSVOHSEV-RYUDHWBXSA-N 0 1 289.448 3.862 20 0 CHADMN CC(C)C(C)(C)SCc1n[nH]c(C(C)(C)C)n1 ZINC000814248442 1130855191 /nfs/dbraw/zinc/85/51/91/1130855191.db2.gz VMEONNYKLXYUBY-UHFFFAOYSA-N 0 1 255.431 3.770 20 0 CHADMN CCN1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000267312652 1126997251 /nfs/dbraw/zinc/99/72/51/1126997251.db2.gz DRUVPYRPCLJQEN-OAHLLOKOSA-N 0 1 257.381 3.774 20 0 CHADMN FC(F)Oc1ccc(CN2CC[C@@H]3C[C@@H]3C2)cc1Cl ZINC000668677194 1127000875 /nfs/dbraw/zinc/00/08/75/1127000875.db2.gz ZIQQDMMJLCCMBA-GHMZBOCLSA-N 0 1 287.737 3.783 20 0 CHADMN C/C=C(\C)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000267601786 1127003376 /nfs/dbraw/zinc/00/33/76/1127003376.db2.gz QMGHSXJYNJAFLS-HETKQVNLSA-N 0 1 283.375 3.501 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@@](C)(CCc3ccccc3)C2)o1 ZINC000267660590 1127003936 /nfs/dbraw/zinc/00/39/36/1127003936.db2.gz ZHOCAYIIMOHHJK-KBXCAEBGSA-N 0 1 299.418 3.784 20 0 CHADMN CCCC=Nc1nc(Cl)nc2c1nc(C)n2C(C)C ZINC001170764105 1130908345 /nfs/dbraw/zinc/90/83/45/1130908345.db2.gz OXLJKQCXSIIKGP-VOTSOKGWSA-N 0 1 279.775 3.705 20 0 CHADMN Fc1ccc(/C=C/CN2CCC(c3ccon3)CC2)cc1 ZINC000668714322 1127011172 /nfs/dbraw/zinc/01/11/72/1127011172.db2.gz RTJJIYOWOZAMTL-OWOJBTEDSA-N 0 1 286.350 3.707 20 0 CHADMN Cc1cccc(CN2CCC(c3ccon3)CC2)c1F ZINC000668719458 1127015011 /nfs/dbraw/zinc/01/50/11/1127015011.db2.gz VZBHZQXUHFADCH-UHFFFAOYSA-N 0 1 274.339 3.502 20 0 CHADMN Cc1ccnc(NCCc2csc(C(C)C)n2)c1 ZINC000268303361 1127016065 /nfs/dbraw/zinc/01/60/65/1127016065.db2.gz HTLCPAWGXJEZBT-UHFFFAOYSA-N 0 1 261.394 3.625 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000268709238 1127020612 /nfs/dbraw/zinc/02/06/12/1127020612.db2.gz FZFYMLDGMQQIOX-KBPBESRZSA-N 0 1 287.407 3.884 20 0 CHADMN Cc1ccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)cn1 ZINC000268763215 1127022872 /nfs/dbraw/zinc/02/28/72/1127022872.db2.gz IIRQUXPYBPMPHA-QGZVFWFLSA-N 0 1 294.398 3.926 20 0 CHADMN COCc1ccc(CNCc2cc3ccccc3s2)o1 ZINC000268777364 1127023463 /nfs/dbraw/zinc/02/34/63/1127023463.db2.gz HKXJSEHDTVCXBK-UHFFFAOYSA-N 0 1 287.384 3.931 20 0 CHADMN CC(C)Cc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000268810974 1127025086 /nfs/dbraw/zinc/02/50/86/1127025086.db2.gz DTVNOMFMRYMXNR-QGZVFWFLSA-N 0 1 283.419 3.775 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H]2CCc3cc(F)ccc32)c(C)n1 ZINC000268811173 1127025862 /nfs/dbraw/zinc/02/58/62/1127025862.db2.gz AZNUISDVMOZWRH-DIFFPNOSSA-N 0 1 285.366 3.571 20 0 CHADMN Cc1cccc([C@H](C)NCc2cn3cc(C)ccc3n2)c1 ZINC000268835328 1127026062 /nfs/dbraw/zinc/02/60/62/1127026062.db2.gz DICRXXIRWKETFP-HNNXBMFYSA-N 0 1 279.387 3.802 20 0 CHADMN C[C@@H](N[C@H]1CC2(CCC2)Oc2ccccc21)c1cnn(C)c1 ZINC000268910909 1127027829 /nfs/dbraw/zinc/02/78/29/1127027829.db2.gz QYPRJSCGPDGNMB-CJNGLKHVSA-N 0 1 297.402 3.517 20 0 CHADMN Cc1ccc([C@H](C)NCc2cn3ccc(C)cc3n2)cc1 ZINC000268899562 1127028474 /nfs/dbraw/zinc/02/84/74/1127028474.db2.gz LXWVALLYJNLGHL-HNNXBMFYSA-N 0 1 279.387 3.802 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@H]2CCc3c2cccc3F)cn1 ZINC000269066905 1127034488 /nfs/dbraw/zinc/03/44/88/1127034488.db2.gz ZEFSJKOEBGFGFR-SJCJKPOMSA-N 0 1 287.382 3.941 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cncs1 ZINC000269064557 1127034562 /nfs/dbraw/zinc/03/45/62/1127034562.db2.gz YMFNWNKOAWJFNR-DUVNUKRYSA-N 0 1 288.416 3.714 20 0 CHADMN CC[C@@H](NC[C@H](O)c1ccc(C)o1)c1ccc(F)cc1F ZINC000269079538 1127034766 /nfs/dbraw/zinc/03/47/66/1127034766.db2.gz ZCVCUXNXGNJUIU-CABCVRRESA-N 0 1 295.329 3.641 20 0 CHADMN CC1(C)Cc2occc2[C@H](N[C@@H]2c3ccccc3C[C@H]2O)C1 ZINC000269026352 1127032870 /nfs/dbraw/zinc/03/28/70/1127032870.db2.gz CQEPZFYKDQJFPN-JFIYKMOQSA-N 0 1 297.398 3.541 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H](C)Oc2cccc(F)c2)cs1 ZINC000269430696 1127039275 /nfs/dbraw/zinc/03/92/75/1127039275.db2.gz PNFBRDHBLZNMIM-GHMZBOCLSA-N 0 1 294.395 3.709 20 0 CHADMN c1c[nH]c([C@@H]2CCCN2Cc2cnc3ccccc3c2)c1 ZINC000269455122 1127039526 /nfs/dbraw/zinc/03/95/26/1127039526.db2.gz IDIUGUANCBTUMV-SFHVURJKSA-N 0 1 277.371 3.900 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H](C)Oc2ccccc2F)cs1 ZINC000269429503 1127039581 /nfs/dbraw/zinc/03/95/81/1127039581.db2.gz OYFXNMKURSJBMD-GHMZBOCLSA-N 0 1 294.395 3.709 20 0 CHADMN CCc1cc(C(=O)N(C)[C@@H](c2ccccc2C)C(C)C)n[nH]1 ZINC000487731524 1127040970 /nfs/dbraw/zinc/04/09/70/1127040970.db2.gz ZBPZDYLYMZWWPW-QGZVFWFLSA-N 0 1 299.418 3.750 20 0 CHADMN COc1ccc(C[N@@H+](Cc2ccco2)C(C)C)cc1OC ZINC000269519089 1127041030 /nfs/dbraw/zinc/04/10/30/1127041030.db2.gz PRPPIWGWQHBMAC-UHFFFAOYSA-N 0 1 289.375 3.707 20 0 CHADMN COc1ccc(CN(Cc2ccco2)C(C)C)cc1OC ZINC000269519089 1127041033 /nfs/dbraw/zinc/04/10/33/1127041033.db2.gz PRPPIWGWQHBMAC-UHFFFAOYSA-N 0 1 289.375 3.707 20 0 CHADMN Cc1ccnc(NC[C@@H](c2ccccc2)C(C)(C)CO)c1 ZINC000269530729 1127041765 /nfs/dbraw/zinc/04/17/65/1127041765.db2.gz YORHJLLXDFTCLV-INIZCTEOSA-N 0 1 284.403 3.604 20 0 CHADMN Cc1cc(C)c(Cl)c(-c2ccc3nn[nH]c3c2)c1 ZINC001236547940 1130972545 /nfs/dbraw/zinc/97/25/45/1130972545.db2.gz FFFFVGOQGYGWEY-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000487934931 1127049091 /nfs/dbraw/zinc/04/90/91/1127049091.db2.gz YDAYDRUOJQEPJP-VXGBXAGGSA-N 0 1 291.345 3.523 20 0 CHADMN CC[C@@H](C)CN(C)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000487944561 1127049646 /nfs/dbraw/zinc/04/96/46/1127049646.db2.gz JORUXGNQQKCCDL-GFCCVEGCSA-N 0 1 293.361 3.628 20 0 CHADMN C[C@@H](NCc1cccc(OC2CCCC2)c1)c1cn[nH]c1 ZINC000270205887 1127052174 /nfs/dbraw/zinc/05/21/74/1127052174.db2.gz NERXSCLGZCYOES-CYBMUJFWSA-N 0 1 285.391 3.582 20 0 CHADMN COCCN(Cc1ncc(C(C)(C)C)o1)[C@@H]1CCC[C@H]1C ZINC000488083083 1127054854 /nfs/dbraw/zinc/05/48/54/1127054854.db2.gz YUXBJGLXDSQVDQ-ZIAGYGMSSA-N 0 1 294.439 3.609 20 0 CHADMN Cc1cc(Cl)cc(CN2CCC[C@H](C)[C@H]2C)n1 ZINC001236638834 1130986645 /nfs/dbraw/zinc/98/66/45/1130986645.db2.gz LCJGNBPNGZZLOR-CMPLNLGQSA-N 0 1 252.789 3.664 20 0 CHADMN CCCCN(CCCC)Cc1nccnc1Cl ZINC001236613170 1130983507 /nfs/dbraw/zinc/98/35/07/1130983507.db2.gz CUOIBSFLUDKXMV-UHFFFAOYSA-N 0 1 255.793 3.532 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000270668251 1127059683 /nfs/dbraw/zinc/05/96/83/1127059683.db2.gz WWAIZEPGEJSIHQ-XJKSGUPXSA-N 0 1 282.387 3.930 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CCN1Cc1ncc(C2CC2)o1 ZINC000270668251 1127059689 /nfs/dbraw/zinc/05/96/89/1127059689.db2.gz WWAIZEPGEJSIHQ-XJKSGUPXSA-N 0 1 282.387 3.930 20 0 CHADMN CCCN(CC)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000270672290 1127060499 /nfs/dbraw/zinc/06/04/99/1127060499.db2.gz APIKHRBLYDXACS-LBPRGKRZSA-N 0 1 259.353 3.530 20 0 CHADMN CC[N@@H+](Cc1ccc(F)c(F)c1)[C@@H](C)c1cccnc1 ZINC000270687301 1127060528 /nfs/dbraw/zinc/06/05/28/1127060528.db2.gz DRYGJFVOPQBBKV-LBPRGKRZSA-N 0 1 276.330 3.943 20 0 CHADMN CCN(Cc1ccc(F)c(F)c1)[C@@H](C)c1cccnc1 ZINC000270687301 1127060530 /nfs/dbraw/zinc/06/05/30/1127060530.db2.gz DRYGJFVOPQBBKV-LBPRGKRZSA-N 0 1 276.330 3.943 20 0 CHADMN Cc1[nH]ncc1CNc1ccc(F)cc1OC(C)(C)C ZINC000270858985 1127062956 /nfs/dbraw/zinc/06/29/56/1127062956.db2.gz CJYYCSYAWKBCHC-UHFFFAOYSA-N 0 1 277.343 3.647 20 0 CHADMN CC(C)c1nc(CSc2ccc3c(c2)CCC3)n[nH]1 ZINC000488222838 1127064370 /nfs/dbraw/zinc/06/43/70/1127064370.db2.gz AKJNNYBREVJZIA-UHFFFAOYSA-N 0 1 273.405 3.709 20 0 CHADMN C[C@H]1COC(C)(C)CN1Cc1cc2ccccc2s1 ZINC000488233872 1127064547 /nfs/dbraw/zinc/06/45/47/1127064547.db2.gz QKMRRCLZDGYBHI-LBPRGKRZSA-N 0 1 275.417 3.901 20 0 CHADMN C[C@@H](N[C@@H](C)COc1ccc(F)cc1F)c1cscn1 ZINC000271106590 1127068487 /nfs/dbraw/zinc/06/84/87/1127068487.db2.gz GHFHWSSQKIFAHH-VHSXEESVSA-N 0 1 298.358 3.539 20 0 CHADMN CCOc1ccccc1CN1CCC[C@H]1c1ccncc1 ZINC000271039578 1127065338 /nfs/dbraw/zinc/06/53/38/1127065338.db2.gz SSIALGMGRHNQGQ-KRWDZBQOSA-N 0 1 282.387 3.817 20 0 CHADMN CC(C)c1nc(CSCc2c(F)cccc2F)n[nH]1 ZINC000488263265 1127066346 /nfs/dbraw/zinc/06/63/46/1127066346.db2.gz LTSGUNGDBADVNO-UHFFFAOYSA-N 0 1 283.347 3.640 20 0 CHADMN CN(C)c1ncc(CN2CCC[C@@H]2c2ccsc2)s1 ZINC000271065514 1127067301 /nfs/dbraw/zinc/06/73/01/1127067301.db2.gz ITZQIWNNHBRKOX-CYBMUJFWSA-N 0 1 293.461 3.608 20 0 CHADMN C[C@@H](c1ccccc1)N(Cc1cncs1)C1CC1 ZINC000271055553 1127067791 /nfs/dbraw/zinc/06/77/91/1127067791.db2.gz SXSDNCCIJQYQBT-LBPRGKRZSA-N 0 1 258.390 3.869 20 0 CHADMN CC[C@H](CN[C@H](C)c1cscn1)Oc1ccccc1F ZINC000271195371 1127072039 /nfs/dbraw/zinc/07/20/39/1127072039.db2.gz YFTHIEXYFFRZAQ-VXGBXAGGSA-N 0 1 294.395 3.790 20 0 CHADMN Cc1ncsc1CN1C[C@H](C)[C@H]1c1ccccc1 ZINC000271235162 1127072856 /nfs/dbraw/zinc/07/28/56/1127072856.db2.gz WHOMEICPCNFRBV-NHYWBVRUSA-N 0 1 258.390 3.645 20 0 CHADMN Cc1cc(C(=O)Nc2c(C)n[nH]c2C(F)F)sc1C ZINC000271260776 1127074346 /nfs/dbraw/zinc/07/43/46/1127074346.db2.gz JMSRCWJOWHGFBJ-UHFFFAOYSA-N 0 1 285.319 3.586 20 0 CHADMN CO[C@H](C)[C@@H](C)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000271411556 1127079821 /nfs/dbraw/zinc/07/98/21/1127079821.db2.gz AFJDJZJSCVACGI-JHJVBQTASA-N 0 1 290.432 3.884 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H](C)c2ccc(F)cc2F)n[nH]1 ZINC000271433179 1127080959 /nfs/dbraw/zinc/08/09/59/1127080959.db2.gz DKWAUNXVDWLKRJ-VHSXEESVSA-N 0 1 294.349 3.618 20 0 CHADMN CCc1cccc2c1OCC[C@H]2N[C@H](C)c1cccnc1 ZINC000271458682 1127083416 /nfs/dbraw/zinc/08/34/16/1127083416.db2.gz JSINCDSXYSHVTR-CXAGYDPISA-N 0 1 282.387 3.818 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H](CO)c2ccc(F)cc2)s1 ZINC000271464851 1127083668 /nfs/dbraw/zinc/08/36/68/1127083668.db2.gz KXCXDORMBCEJGU-IAQYHMDHSA-N 0 1 293.407 3.834 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H]1CCCc2occc21 ZINC000271457455 1127083741 /nfs/dbraw/zinc/08/37/41/1127083741.db2.gz PJQDRSQKEZYFMC-SWLSCSKDSA-N 0 1 256.349 3.711 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H]1CCCc2occc21 ZINC000271457453 1127083892 /nfs/dbraw/zinc/08/38/92/1127083892.db2.gz PJQDRSQKEZYFMC-IUODEOHRSA-N 0 1 256.349 3.711 20 0 CHADMN CCn1cc(CN[C@H]2C[C@H](C)Sc3sccc32)cn1 ZINC000271478285 1127084755 /nfs/dbraw/zinc/08/47/55/1127084755.db2.gz JXAOMWQQCIRHMY-GWCFXTLKSA-N 0 1 293.461 3.680 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCCc3c[nH]nc32)c(C)s1 ZINC000271486736 1127085730 /nfs/dbraw/zinc/08/57/30/1127085730.db2.gz JTAJDNBTUKUEDO-YGRLFVJLSA-N 0 1 275.421 3.816 20 0 CHADMN CCc1nc([C@H](C)N[C@H](C)c2cc3ccccc3o2)n[nH]1 ZINC000271484697 1127085769 /nfs/dbraw/zinc/08/57/69/1127085769.db2.gz JZSVUIQXJMCGRP-MNOVXSKESA-N 0 1 284.363 3.525 20 0 CHADMN CCc1nc([C@H](C)N[C@H]2CC[C@@H](C)c3ccccc32)n[nH]1 ZINC000271484723 1127085804 /nfs/dbraw/zinc/08/58/04/1127085804.db2.gz KAAPEPFQLLDAKL-XUJVJEKNSA-N 0 1 284.407 3.656 20 0 CHADMN Cc1cccnc1CN1CCc2sccc2[C@@H]1C ZINC000271511251 1127087603 /nfs/dbraw/zinc/08/76/03/1127087603.db2.gz LWWHALMXDXXVNA-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN COc1ccc(CN[C@H](C)c2cncs2)cc1Cl ZINC000271508625 1127087905 /nfs/dbraw/zinc/08/79/05/1127087905.db2.gz NHTFDLTXAPFBAM-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000271545236 1127091239 /nfs/dbraw/zinc/09/12/39/1127091239.db2.gz ZDMZEMJPDNSYSR-DYVFJYSZSA-N 0 1 273.351 3.518 20 0 CHADMN CCC[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000271554804 1127091684 /nfs/dbraw/zinc/09/16/84/1127091684.db2.gz VPWCACDTQNGQMX-HZPDHXFCSA-N 0 1 269.392 3.918 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H](C)c2ccc(F)c(F)c2)n[nH]1 ZINC000271583652 1127094289 /nfs/dbraw/zinc/09/42/89/1127094289.db2.gz XFPQIJAQMOWYAP-ZJUUUORDSA-N 0 1 294.349 3.618 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2c(C)onc2CC)cc1 ZINC000271694026 1127096603 /nfs/dbraw/zinc/09/66/03/1127096603.db2.gz RHODWRHJNIXREE-GFCCVEGCSA-N 0 1 288.391 3.795 20 0 CHADMN CCc1noc(C)c1CN[C@H](C)c1ccc2c(c1)CCC2 ZINC000271688689 1127096799 /nfs/dbraw/zinc/09/67/99/1127096799.db2.gz PUJHLOYJMFBADD-GFCCVEGCSA-N 0 1 284.403 3.885 20 0 CHADMN c1nc2cc(-c3noc([C@H]4CCCCS4)n3)ccc2[nH]1 ZINC000273921186 1127102287 /nfs/dbraw/zinc/10/22/87/1127102287.db2.gz NLEGMCQMFGCVRR-GFCCVEGCSA-N 0 1 286.360 3.571 20 0 CHADMN C[C@H](NCc1ccc(C(F)F)cc1)c1cncs1 ZINC000274325414 1127112641 /nfs/dbraw/zinc/11/26/41/1127112641.db2.gz YPYYSVNWHCPLNI-VIFPVBQESA-N 0 1 268.332 3.932 20 0 CHADMN Cc1oc([C@@H](C)[N@H+]2CC3(CCC3)C[C@@H]2C)cc1C(=O)[O-] ZINC000570639117 1127115826 /nfs/dbraw/zinc/11/58/26/1127115826.db2.gz SQIZGKPNBHHTPB-WDEREUQCSA-N 0 1 277.364 3.612 20 0 CHADMN CCCCC[C@@H](NCc1cnccn1)c1ccccc1 ZINC000698143612 1127115924 /nfs/dbraw/zinc/11/59/24/1127115924.db2.gz CUZDHSNYZQFEHT-QGZVFWFLSA-N 0 1 269.392 3.888 20 0 CHADMN CCn1ccnc1[C@@H]1CCCCN1Cc1ccccc1C ZINC000339155884 1127117041 /nfs/dbraw/zinc/11/70/41/1127117041.db2.gz QRSPHHRZDAJGIP-KRWDZBQOSA-N 0 1 283.419 3.939 20 0 CHADMN Fc1cccc(CN2CCC[C@H]2[C@H]2CCCO2)c1Cl ZINC000339165593 1127117762 /nfs/dbraw/zinc/11/77/62/1127117762.db2.gz CIXVGFZCHYBQOZ-UONOGXRCSA-N 0 1 283.774 3.623 20 0 CHADMN C[C@H](NCc1cn(C)nc1C(F)F)c1cccc(Cl)c1 ZINC000274481562 1127119987 /nfs/dbraw/zinc/11/99/87/1127119987.db2.gz MQEUHUGIIQJODE-VIFPVBQESA-N 0 1 299.752 3.862 20 0 CHADMN CC(C)n1ccc(CN[C@@H](C)[C@@H]2Oc3ccccc3[C@H]2C)n1 ZINC000348529447 1127121216 /nfs/dbraw/zinc/12/12/16/1127121216.db2.gz FAUFNNWAHHHWCI-QWQRMKEZSA-N 0 1 299.418 3.507 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@H](c3ccc(F)cc3)C2)s1 ZINC000283256856 1127127849 /nfs/dbraw/zinc/12/78/49/1127127849.db2.gz VTEQSDMSIYUEEF-MFKMUULPSA-N 0 1 291.395 3.536 20 0 CHADMN COc1cc([C@H](C)N[C@@H](C)c2ccccc2OC)ccn1 ZINC000348681907 1127124692 /nfs/dbraw/zinc/12/46/92/1127124692.db2.gz MDHMNPJMVLOVHC-STQMWFEESA-N 0 1 286.375 3.511 20 0 CHADMN CCCN(CCc1ccccn1)Cc1ncc(CC)s1 ZINC000349037185 1127138063 /nfs/dbraw/zinc/13/80/63/1127138063.db2.gz ROSXPVYITRBULS-UHFFFAOYSA-N 0 1 289.448 3.555 20 0 CHADMN C[C@@H](NCc1cccc(OC(C)(C)C)n1)c1ccncc1 ZINC000348961779 1127135596 /nfs/dbraw/zinc/13/55/96/1127135596.db2.gz FPHTWHXPUMUZBU-CYBMUJFWSA-N 0 1 285.391 3.505 20 0 CHADMN CC1(C)C(NCc2coc(-c3ccccc3)n2)C1(C)C ZINC000349194268 1127142671 /nfs/dbraw/zinc/14/26/71/1127142671.db2.gz RTAWSSRLCXZKRQ-UHFFFAOYSA-N 0 1 270.376 3.866 20 0 CHADMN Cc1cc([C@H](C)NCCCCN(C)c2ccccc2)no1 ZINC000283693780 1127152043 /nfs/dbraw/zinc/15/20/43/1127152043.db2.gz ANLIRCAUXVXTGK-HNNXBMFYSA-N 0 1 287.407 3.550 20 0 CHADMN CCn1nc(C)c(CN(C)Cc2sccc2C)c1C ZINC000349524078 1127153081 /nfs/dbraw/zinc/15/30/81/1127153081.db2.gz QTLPRVLIKUZUJU-UHFFFAOYSA-N 0 1 277.437 3.522 20 0 CHADMN FC(F)(F)c1cnccc1CN1CCCCCCC1 ZINC001237293043 1131078153 /nfs/dbraw/zinc/07/81/53/1131078153.db2.gz VENFEKKIRWIOGB-UHFFFAOYSA-N 0 1 272.314 3.867 20 0 CHADMN Cc1ccc([C@@H](NCc2cnc(C)s2)C2CCC2)o1 ZINC000349452615 1127150925 /nfs/dbraw/zinc/15/09/25/1127150925.db2.gz KCPZFZFJTNJNHE-HNNXBMFYSA-N 0 1 276.405 3.984 20 0 CHADMN Clc1cnc(CNCC2(c3ccccc3)CC2)s1 ZINC000349646124 1127156520 /nfs/dbraw/zinc/15/65/20/1127156520.db2.gz NVFIIAGPZKSFGZ-UHFFFAOYSA-N 0 1 278.808 3.618 20 0 CHADMN Cc1cccc(O[C@@H](C)CNCc2ncc(Cl)s2)c1 ZINC000349644606 1127156662 /nfs/dbraw/zinc/15/66/62/1127156662.db2.gz IIHZTDBASHBJMP-NSHDSACASA-N 0 1 296.823 3.662 20 0 CHADMN COC[C@@H](CN([C@H](C)c1ccccc1Cl)C1CC1)OC ZINC000659874619 1127157375 /nfs/dbraw/zinc/15/73/75/1127157375.db2.gz SIKJBCYCNIRIIY-TZMCWYRMSA-N 0 1 297.826 3.527 20 0 CHADMN CC1(C)CCC[C@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000571710493 1127164296 /nfs/dbraw/zinc/16/42/96/1127164296.db2.gz SZAMTCPUXUCHQI-QMMMGPOBSA-N 0 1 285.746 3.950 20 0 CHADMN Cc1cc(N2CCO[C@H](C(C)C)C2)c2cc(F)ccc2n1 ZINC000349871366 1127166290 /nfs/dbraw/zinc/16/62/90/1127166290.db2.gz XQHFDOGWKXNZRM-KRWDZBQOSA-N 0 1 288.366 3.544 20 0 CHADMN Cc1cc([C@H](C)NCCCc2c[nH]c3ccccc23)no1 ZINC000283955870 1127166969 /nfs/dbraw/zinc/16/69/69/1127166969.db2.gz FXROBNSKYZRMBH-ZDUSSCGKSA-N 0 1 283.375 3.748 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@@H](C)c1ccccc1OC(F)F ZINC000679330338 1127166980 /nfs/dbraw/zinc/16/69/80/1127166980.db2.gz HWIGXYSFKNXOTI-VHSXEESVSA-N 0 1 295.333 3.731 20 0 CHADMN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccsc1 ZINC000349919233 1127167537 /nfs/dbraw/zinc/16/75/37/1127167537.db2.gz CWIOSFGIWSZLBC-UHFFFAOYSA-N 0 1 287.793 3.511 20 0 CHADMN C[C@H](NCc1ccnc(OC(F)F)c1)c1ccccc1F ZINC000284101727 1127174321 /nfs/dbraw/zinc/17/43/21/1127174321.db2.gz LFUNBOYMKCWUCM-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN Fc1ccc(C2(NCc3cccc4c3OCO4)CCC2)cc1 ZINC000588179087 1127181196 /nfs/dbraw/zinc/18/11/96/1127181196.db2.gz BLVFCVNOKCUVBD-UHFFFAOYSA-N 0 1 299.345 3.723 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc(Cl)cc(Cl)c2)n(C)n1 ZINC000284366429 1127181461 /nfs/dbraw/zinc/18/14/61/1127181461.db2.gz OARSPUCLTCXGFQ-JTQLQIEISA-N 0 1 298.217 3.886 20 0 CHADMN COc1ccccc1[C@H](N[C@H]1CCC1(C)C)c1ccccn1 ZINC000284511138 1127187374 /nfs/dbraw/zinc/18/73/74/1127187374.db2.gz WCKSWERMEOYZON-ROUUACIJSA-N 0 1 296.414 3.958 20 0 CHADMN Cc1cccc2c1CC[C@@H]2NCc1ccc2c(n1)CCC2 ZINC000571978077 1127184142 /nfs/dbraw/zinc/18/41/42/1127184142.db2.gz LYQHMAFUQYZTDY-IBGZPJMESA-N 0 1 278.399 3.656 20 0 CHADMN CCCN(Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000351230030 1127187386 /nfs/dbraw/zinc/18/73/86/1127187386.db2.gz RPOCDBMXNCOTBD-UHFFFAOYSA-N 0 1 269.392 3.506 20 0 CHADMN Cc1cc([C@H](C)NCc2ccnc(OC(F)F)c2)c(C)o1 ZINC000284496663 1127187433 /nfs/dbraw/zinc/18/74/33/1127187433.db2.gz XHKKVAJVPMPDCU-JTQLQIEISA-N 0 1 296.317 3.744 20 0 CHADMN C[C@H]1CN(Cc2ccc(OCC(F)(F)F)c(F)c2)[C@H]1C ZINC000816648101 1131121227 /nfs/dbraw/zinc/12/12/27/1131121227.db2.gz DSPRXUFUPVCCRE-UWVGGRQHSA-N 0 1 291.288 3.607 20 0 CHADMN Cc1ccnc(CN2CCC[C@H](c3ccc(F)cc3)CC2)n1 ZINC000351262466 1127187081 /nfs/dbraw/zinc/18/70/81/1127187081.db2.gz YDBLNOMLBLGEKL-HNNXBMFYSA-N 0 1 299.393 3.694 20 0 CHADMN Cc1cc(-c2ccc(CN(C)C)c(F)c2)cc(C)c1N ZINC000665143436 1127192633 /nfs/dbraw/zinc/19/26/33/1127192633.db2.gz FRJWGBNUIZJNRY-UHFFFAOYSA-N 0 1 272.367 3.753 20 0 CHADMN CC(C)(C)SCCN(Cc1cccnc1)C1CC1 ZINC000284585987 1127190997 /nfs/dbraw/zinc/19/09/97/1127190997.db2.gz ZVAPXLZFYQLGLM-UHFFFAOYSA-N 0 1 264.438 3.578 20 0 CHADMN CCOc1ccc(CNc2nccn2CC(C)C)cc1F ZINC000351543147 1127192320 /nfs/dbraw/zinc/19/23/20/1127192320.db2.gz FPKPMXPODWARBI-UHFFFAOYSA-N 0 1 291.370 3.689 20 0 CHADMN COCCN(Cc1cccnc1C)[C@H](C)c1ccccc1 ZINC000351582716 1127195212 /nfs/dbraw/zinc/19/52/12/1127195212.db2.gz MIOXTXWCFZEFHQ-MRXNPFEDSA-N 0 1 284.403 3.600 20 0 CHADMN CSCc1cnc(CN(C(C)C)C2CCC2)s1 ZINC000351644305 1127200974 /nfs/dbraw/zinc/20/09/74/1127200974.db2.gz ONXUDOGWWDNBHD-UHFFFAOYSA-N 0 1 270.467 3.769 20 0 CHADMN C[C@@H]1COC[C@@H](C)N1Cc1ccc(C2CCC2)cc1 ZINC000351643867 1127201266 /nfs/dbraw/zinc/20/12/66/1127201266.db2.gz JPINQSYKMOBSHN-ZIAGYGMSSA-N 0 1 259.393 3.563 20 0 CHADMN Cc1ccccc1CN(Cc1cnc[nH]1)Cc1ccccc1 ZINC000351673739 1127202911 /nfs/dbraw/zinc/20/29/11/1127202911.db2.gz NGHGQUKDONRZFT-UHFFFAOYSA-N 0 1 291.398 3.921 20 0 CHADMN CCN(C(=O)CN(C)CC(C)(C)C)c1cccc(C)c1C ZINC000588902534 1127204324 /nfs/dbraw/zinc/20/43/24/1127204324.db2.gz GNGXMNYZEZGGJQ-UHFFFAOYSA-N 0 1 290.451 3.634 20 0 CHADMN Clc1ccsc1CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284811027 1127207759 /nfs/dbraw/zinc/20/77/59/1127207759.db2.gz PEUMMQMLVXQMLX-NEPJUHHUSA-N 0 1 271.813 3.545 20 0 CHADMN CC[C@H](NCc1cnc(C)nc1)c1ccc(Cl)s1 ZINC000351762484 1127208572 /nfs/dbraw/zinc/20/85/72/1127208572.db2.gz ZDHWBOBHFHRCLV-NSHDSACASA-N 0 1 281.812 3.741 20 0 CHADMN Cc1cccc(N(C)C(=O)c2cc(-c3ccccc3)n[nH]2)c1 ZINC000589126811 1127212818 /nfs/dbraw/zinc/21/28/18/1127212818.db2.gz WFOKFFREXNLKMY-UHFFFAOYSA-N 0 1 291.354 3.662 20 0 CHADMN CCC[C@H](N[C@H](C)c1cc(C)on1)[C@H](O)c1ccccc1 ZINC000284998133 1127214548 /nfs/dbraw/zinc/21/45/48/1127214548.db2.gz GSKZJLYDHUIQIM-UKPHBRMFSA-N 0 1 288.391 3.536 20 0 CHADMN CCc1nc(CNc2nccn2Cc2ccccc2)cs1 ZINC000285022803 1127215391 /nfs/dbraw/zinc/21/53/91/1127215391.db2.gz AVUXCCPQLODNJD-UHFFFAOYSA-N 0 1 298.415 3.562 20 0 CHADMN Cc1n[nH]cc1C1CCN(Cc2cc(Cl)cs2)CC1 ZINC000572742306 1127225452 /nfs/dbraw/zinc/22/54/52/1127225452.db2.gz IUZHXKGCPPQUEX-UHFFFAOYSA-N 0 1 295.839 3.813 20 0 CHADMN COc1cccc(CNCc2c(F)cccc2SC)c1 ZINC000285357741 1127224419 /nfs/dbraw/zinc/22/44/19/1127224419.db2.gz AFCLSTLDHSHMKS-UHFFFAOYSA-N 0 1 291.391 3.846 20 0 CHADMN Cc1cc(-c2noc([C@@H]3C[C@H]3C3CCC3)n2)cc2nc[nH]c21 ZINC000572726960 1127225024 /nfs/dbraw/zinc/22/50/24/1127225024.db2.gz NADJQOKSJDWXOF-QWHCGFSZSA-N 0 1 294.358 3.825 20 0 CHADMN C[C@H](N[C@H]1CCCC[C@H]1C1CC1)c1nc(C(C)(C)C)no1 ZINC000572813863 1127226643 /nfs/dbraw/zinc/22/66/43/1127226643.db2.gz JAEGOVFFUZSWAM-UBHSHLNASA-N 0 1 291.439 3.987 20 0 CHADMN Cc1ccccc1CN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000589604712 1127229146 /nfs/dbraw/zinc/22/91/46/1127229146.db2.gz JGDFJHMZPWCUQD-LPHOPBHVSA-N 0 1 281.399 3.957 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000352433571 1127231946 /nfs/dbraw/zinc/23/19/46/1127231946.db2.gz WICKDBHBQPCSCT-XYPHTWIQSA-N 0 1 289.394 3.920 20 0 CHADMN Cn1c(CN[C@H](c2cccs2)C2CC2)nc2ccccc21 ZINC000589639144 1127231978 /nfs/dbraw/zinc/23/19/78/1127231978.db2.gz QKQSJBJFTVOMFB-KRWDZBQOSA-N 0 1 297.427 3.876 20 0 CHADMN CC[C@@H](NCc1cc(C)n[nH]1)c1ccc(Cl)cc1 ZINC000589639916 1127232185 /nfs/dbraw/zinc/23/21/85/1127232185.db2.gz JUCDAWOQLALREL-CQSZACIVSA-N 0 1 263.772 3.612 20 0 CHADMN CCOC1CC2(C1)CCN([C@@H](C)c1ccc(F)cc1F)C2 ZINC000285541112 1127236264 /nfs/dbraw/zinc/23/62/64/1127236264.db2.gz QPOXZTUCOGUXIA-MKQDKFQKSA-N 0 1 295.373 3.917 20 0 CHADMN Fc1cncc(CNCc2ccc3sccc3c2)c1 ZINC000352482806 1127236554 /nfs/dbraw/zinc/23/65/54/1127236554.db2.gz VLRDICKUYKQEGK-UHFFFAOYSA-N 0 1 272.348 3.725 20 0 CHADMN CSc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000352628616 1127240812 /nfs/dbraw/zinc/24/08/12/1127240812.db2.gz ATUTYWALJUALFW-UHFFFAOYSA-N 0 1 283.356 3.537 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3nc(C(C)C)oc3C)ccc12 ZINC000285724422 1127241787 /nfs/dbraw/zinc/24/17/87/1127241787.db2.gz FXSSPMFDWBZCBP-UHFFFAOYSA-N 0 1 298.346 3.543 20 0 CHADMN COc1cccc([C@H](C)N[C@@H](C)c2cc(C)ccn2)c1 ZINC000285893311 1127246185 /nfs/dbraw/zinc/24/61/85/1127246185.db2.gz CKCMIGAKHOQHRK-KBPBESRZSA-N 0 1 270.376 3.810 20 0 CHADMN CC[C@@H]1CCCN1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000590062058 1127247804 /nfs/dbraw/zinc/24/78/04/1127247804.db2.gz QCIYVXVVCFFKJV-CYBMUJFWSA-N 0 1 291.782 3.764 20 0 CHADMN CC[C@@H]1CCCN1Cc1csc(C(C)(C)C)n1 ZINC000590062466 1127247958 /nfs/dbraw/zinc/24/79/58/1127247958.db2.gz AJHCGLBUVXGDIN-GFCCVEGCSA-N 0 1 252.427 3.815 20 0 CHADMN CSc1ccc(CN[C@H](C)c2ccncc2F)s1 ZINC000352909104 1127249426 /nfs/dbraw/zinc/24/94/26/1127249426.db2.gz YECXMZXURJVYTR-SECBINFHSA-N 0 1 282.409 3.855 20 0 CHADMN CC[C@H](NCc1cc(F)cc(OC)c1)c1ccc(F)cn1 ZINC000352907715 1127249909 /nfs/dbraw/zinc/24/99/09/1127249909.db2.gz HOKHJXDQGAECNF-HNNXBMFYSA-N 0 1 292.329 3.609 20 0 CHADMN Cc1nn2c(CN3CCCC3(C)C)c(C(C)C)nc2s1 ZINC000352934173 1127251935 /nfs/dbraw/zinc/25/19/35/1127251935.db2.gz HBQOANWPODRIQM-UHFFFAOYSA-N 0 1 292.452 3.597 20 0 CHADMN Cc1cn[nH]c1CNc1cc2sc(C)nc2cc1Cl ZINC000352933335 1127252151 /nfs/dbraw/zinc/25/21/51/1127252151.db2.gz GBOWKDAMGFTQLD-UHFFFAOYSA-N 0 1 292.795 3.902 20 0 CHADMN CCOC[C@H](NCc1cc(-c2cccs2)on1)C(C)C ZINC000286018143 1127253849 /nfs/dbraw/zinc/25/38/49/1127253849.db2.gz HFEGTLAVSUZXCQ-ZDUSSCGKSA-N 0 1 294.420 3.554 20 0 CHADMN CC(C)CCc1noc(CNC(C)(C)CC(C)(C)C)n1 ZINC000590320818 1127256088 /nfs/dbraw/zinc/25/60/88/1127256088.db2.gz HOXGBVIBPQXIFZ-UHFFFAOYSA-N 0 1 281.444 3.963 20 0 CHADMN COC(=O)CCC[C@@H]1CCC[C@@H](NC(C)(C)C(F)F)C1 ZINC000590366780 1127256984 /nfs/dbraw/zinc/25/69/84/1127256984.db2.gz OTMCQUCKCMYFQV-NWDGAFQWSA-N 0 1 291.382 3.522 20 0 CHADMN CCSc1cccc(CNCc2cnn3ccccc23)c1 ZINC000353037124 1127258452 /nfs/dbraw/zinc/25/84/52/1127258452.db2.gz VBQPGEINWUALDP-UHFFFAOYSA-N 0 1 297.427 3.736 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cc(C)ccn2)cc1 ZINC000286136569 1127260206 /nfs/dbraw/zinc/26/02/06/1127260206.db2.gz OTHIDYMILYBFQW-UONOGXRCSA-N 0 1 270.376 3.810 20 0 CHADMN C[C@@H](NCc1ccccc1F)c1ccc2n[nH]cc2c1 ZINC000353104747 1127261359 /nfs/dbraw/zinc/26/13/59/1127261359.db2.gz XMHVZLZRLDOIJH-LLVKDONJSA-N 0 1 269.323 3.553 20 0 CHADMN CC[C@H](N[C@@H](CCO)c1ccco1)c1cccc(C)c1 ZINC000286174719 1127262056 /nfs/dbraw/zinc/26/20/56/1127262056.db2.gz QBDAZJTZRLZMOH-HOTGVXAUSA-N 0 1 273.376 3.752 20 0 CHADMN CN(Cc1nc2cc(Br)ccc2o1)C1CCC1 ZINC000286501995 1127268447 /nfs/dbraw/zinc/26/84/47/1127268447.db2.gz RGSCSXXQAQCVNZ-UHFFFAOYSA-N 0 1 295.180 3.575 20 0 CHADMN CN(Cc1sc2ccccc2c1Cl)C1CC(O)C1 ZINC000353501911 1127269137 /nfs/dbraw/zinc/26/91/37/1127269137.db2.gz BFSOSXBCOATITB-UHFFFAOYSA-N 0 1 281.808 3.510 20 0 CHADMN CCC[C@@H]1CCCC[C@@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC000590592201 1127264649 /nfs/dbraw/zinc/26/46/49/1127264649.db2.gz QKAYXCKDWSLBJM-HIFRSBDPSA-N 0 1 299.418 3.581 20 0 CHADMN Cc1ccnc([C@@H](C)NCc2ccc3ncccc3c2)c1 ZINC000353601080 1127270884 /nfs/dbraw/zinc/27/08/84/1127270884.db2.gz AFLUOFSTKKFJTL-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN CC(C)(C)c1ncc(CN2CCC23CCC3)s1 ZINC000353662742 1127272132 /nfs/dbraw/zinc/27/21/32/1127272132.db2.gz BOJBMBYMOMXBHY-UHFFFAOYSA-N 0 1 250.411 3.569 20 0 CHADMN CC[C@H](C)CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000286961493 1127277380 /nfs/dbraw/zinc/27/73/80/1127277380.db2.gz QLXHAEIHKYOILM-ZETCQYMHSA-N 0 1 259.708 3.559 20 0 CHADMN Cc1oc2ccccc2c1CN1CCOC(C)(C)[C@@H]1C ZINC000353903189 1127277449 /nfs/dbraw/zinc/27/74/49/1127277449.db2.gz VMKXMEQMIZFYLO-ZDUSSCGKSA-N 0 1 273.376 3.741 20 0 CHADMN Fc1cccc(-n2ccc(CN(C3CC3)C3CCCC3)n2)c1 ZINC000590926014 1127278426 /nfs/dbraw/zinc/27/84/26/1127278426.db2.gz RDWNEXZORUMEMT-UHFFFAOYSA-N 0 1 299.393 3.918 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccccc2OC)cc1C ZINC000224737954 1127278546 /nfs/dbraw/zinc/27/85/46/1127278546.db2.gz BAXRKIYUJONNHP-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN CC[C@@H](N[C@H](c1nccn1C)C1CC1)c1ccc(OC)cc1 ZINC000353918134 1127278672 /nfs/dbraw/zinc/27/86/72/1127278672.db2.gz IQOAIXBBRRFSNJ-SJORKVTESA-N 0 1 299.418 3.621 20 0 CHADMN Cc1cccc2ncc(CN3C[C@H](C)[C@H]3c3ccccc3)n21 ZINC000354025488 1127286447 /nfs/dbraw/zinc/28/64/47/1127286447.db2.gz FBINNLHEEPUJOF-LIRRHRJNSA-N 0 1 291.398 3.836 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccc(Cl)cc1)c1ccccn1 ZINC000287092883 1127288304 /nfs/dbraw/zinc/28/83/04/1127288304.db2.gz POABGRDLKBCRCJ-LRDDRELGSA-N 0 1 290.794 3.509 20 0 CHADMN Cc1ccc(-c2ccc(F)c(CN(C)C)c2)c(O)c1 ZINC000629737940 1127288886 /nfs/dbraw/zinc/28/88/86/1127288886.db2.gz CSWLAWUVAXHTDS-UHFFFAOYSA-N 0 1 259.324 3.568 20 0 CHADMN CSCc1cnc(CN2CC[C@@H](C3CCC3)C2)s1 ZINC000591267865 1127293939 /nfs/dbraw/zinc/29/39/39/1127293939.db2.gz PAQNXWAOPRERQY-GFCCVEGCSA-N 0 1 282.478 3.628 20 0 CHADMN CCn1ccnc1CN1CC[C@@](C)(CCc2ccccc2)C1 ZINC000354097453 1127292191 /nfs/dbraw/zinc/29/21/91/1127292191.db2.gz PVNAFCIBYCQYMO-LJQANCHMSA-N 0 1 297.446 3.748 20 0 CHADMN CC[C@@]1(C)CCN(Cc2csc(-c3ccccn3)n2)C1 ZINC000354099267 1127292470 /nfs/dbraw/zinc/29/24/70/1127292470.db2.gz CZYIXDSTHICVJB-INIZCTEOSA-N 0 1 287.432 3.827 20 0 CHADMN FC1(CNCc2cc(Cl)cc(Br)c2)CC1 ZINC000573087468 1127292990 /nfs/dbraw/zinc/29/29/90/1127292990.db2.gz IEKUYZLBIJFLFZ-UHFFFAOYSA-N 0 1 292.579 3.694 20 0 CHADMN Cc1nccc(NC[C@H](c2cccnc2)C(C)C)c1Cl ZINC000354155749 1127296696 /nfs/dbraw/zinc/29/66/96/1127296696.db2.gz QEVCBZGRXVMLPU-AWEZNQCLSA-N 0 1 289.810 3.712 20 0 CHADMN CCCOc1ccc([C@H](C)N[C@H](C)c2ccnnc2)cc1 ZINC000924859152 1127300572 /nfs/dbraw/zinc/30/05/72/1127300572.db2.gz QNHNXWBFMKFLKH-UONOGXRCSA-N 0 1 285.391 3.677 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000573259195 1127304229 /nfs/dbraw/zinc/30/42/29/1127304229.db2.gz LOXXNXVQKANNQH-RHSMWYFYSA-N 0 1 295.382 3.763 20 0 CHADMN CO[C@@H](C)CN(Cc1ncc(-c2cccs2)o1)C(C)C ZINC000354369958 1127304497 /nfs/dbraw/zinc/30/44/97/1127304497.db2.gz XLRUAFWGCNGYGY-LBPRGKRZSA-N 0 1 294.420 3.648 20 0 CHADMN CCO[C@H](c1noc(-c2cc(Cl)ccc2O)n1)C(C)C ZINC000157409811 1127308375 /nfs/dbraw/zinc/30/83/75/1127308375.db2.gz NTHVXKQRJCNARD-LBPRGKRZSA-N 0 1 296.754 3.829 20 0 CHADMN COc1ccncc1CN[C@@H](c1ccccc1)C(C)(C)C ZINC000287593473 1127310556 /nfs/dbraw/zinc/31/05/56/1127310556.db2.gz CWWLYCOJSNHUMB-KRWDZBQOSA-N 0 1 284.403 3.967 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(CC(C)C)c2)n(C)n1 ZINC000287610179 1127311082 /nfs/dbraw/zinc/31/10/82/1127311082.db2.gz SJTQTVDJEHPSMF-OAHLLOKOSA-N 0 1 285.435 3.778 20 0 CHADMN CCC(C)(C)CC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000354990584 1127316022 /nfs/dbraw/zinc/31/60/22/1127316022.db2.gz SLLKMRYGZZKCDS-UHFFFAOYSA-N 0 1 259.353 3.636 20 0 CHADMN Cc1cc(CN2CC[C@@H]3CCC[C@H]3C2)ncc1Cl ZINC001238419500 1131196776 /nfs/dbraw/zinc/19/67/76/1131196776.db2.gz OJCUXHCCUUXVRX-STQMWFEESA-N 0 1 264.800 3.665 20 0 CHADMN CC(C)CC[C@@H]1CCCCN1Cc1nccs1 ZINC000355157095 1127321609 /nfs/dbraw/zinc/32/16/09/1127321609.db2.gz AZHIPPLZVIJMRU-ZDUSSCGKSA-N 0 1 252.427 3.934 20 0 CHADMN COc1ccc(CN2CC=C(C(C)(C)C)CC2)cc1O ZINC000355192436 1127323633 /nfs/dbraw/zinc/32/36/33/1127323633.db2.gz CJLSZCCGZMQDNW-UHFFFAOYSA-N 0 1 275.392 3.579 20 0 CHADMN COc1ccsc1CN1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000355211517 1127325213 /nfs/dbraw/zinc/32/52/13/1127325213.db2.gz COHUEFSVYBNTLR-RKDXNWHRSA-N 0 1 279.327 3.529 20 0 CHADMN CS[C@H]1CCCCN(Cc2c(F)cccc2F)C1 ZINC000355203764 1127325375 /nfs/dbraw/zinc/32/53/75/1127325375.db2.gz YCMJKCYMBDLCPL-NSHDSACASA-N 0 1 271.376 3.682 20 0 CHADMN Cc1cc(CN[C@H](C)CF)ccc1Oc1cccnc1 ZINC000288339481 1127332144 /nfs/dbraw/zinc/33/21/44/1127332144.db2.gz BITDZUWKVOLCPZ-CYBMUJFWSA-N 0 1 274.339 3.630 20 0 CHADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000573699697 1127327530 /nfs/dbraw/zinc/32/75/30/1127327530.db2.gz PVOJKBIFSXPXEW-LRDDRELGSA-N 0 1 293.382 3.925 20 0 CHADMN COc1ccc([C@H](C)NCc2occc2C)c(C)c1OC ZINC000288521326 1127344593 /nfs/dbraw/zinc/34/45/93/1127344593.db2.gz UTXUORGHHAAAHQ-ZDUSSCGKSA-N 0 1 289.375 3.764 20 0 CHADMN CCN(CCSC)Cc1nc2ccc(F)cc2s1 ZINC000592530892 1127353656 /nfs/dbraw/zinc/35/36/56/1127353656.db2.gz RPMLHELUAYRLQA-UHFFFAOYSA-N 0 1 284.425 3.620 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)CCc1ccc(C)cc1 ZINC000355607626 1127353719 /nfs/dbraw/zinc/35/37/19/1127353719.db2.gz PYNKSLGTHBVISZ-UHFFFAOYSA-N 0 1 293.317 3.535 20 0 CHADMN CC[N@@H+](CCSC)Cc1ccc(OC(F)F)c(F)c1 ZINC000592526494 1127353375 /nfs/dbraw/zinc/35/33/75/1127353375.db2.gz BDANWBGHHLAINE-UHFFFAOYSA-N 0 1 293.354 3.612 20 0 CHADMN CC[N@@H+](CCSC)Cc1nc2ccc(F)cc2s1 ZINC000592530892 1127353651 /nfs/dbraw/zinc/35/36/51/1127353651.db2.gz RPMLHELUAYRLQA-UHFFFAOYSA-N 0 1 284.425 3.620 20 0 CHADMN Cc1ccc(CN(CCO)Cc2c(C)cc(C)cc2C)o1 ZINC000355648429 1127356431 /nfs/dbraw/zinc/35/64/31/1127356431.db2.gz ILHKUBPTDZRFHI-UHFFFAOYSA-N 0 1 287.403 3.508 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC[C@@]2(CCCOC2)C1 ZINC000355785765 1127364128 /nfs/dbraw/zinc/36/41/28/1127364128.db2.gz LFMCSRBBPKDCJH-CXAGYDPISA-N 0 1 295.373 3.918 20 0 CHADMN COC[C@@H](NCCC(F)(F)F)c1cccc(Cl)c1 ZINC000288764040 1127361940 /nfs/dbraw/zinc/36/19/40/1127361940.db2.gz JBZPOVPPWWGBFW-LLVKDONJSA-N 0 1 281.705 3.570 20 0 CHADMN Fc1ccccc1CN1CCCc2sccc2C1 ZINC000592981650 1127366318 /nfs/dbraw/zinc/36/63/18/1127366318.db2.gz AXZOSJHWYXQNSX-UHFFFAOYSA-N 0 1 261.365 3.836 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCC=C(c2ccco2)C1 ZINC000289103611 1127373651 /nfs/dbraw/zinc/37/36/51/1127373651.db2.gz CHNZJDXHAJNIQV-UHFFFAOYSA-N 0 1 285.391 3.655 20 0 CHADMN COC[C@@H](CC(C)C)N[C@@H](C)c1c(F)cccc1F ZINC000480907352 1127384737 /nfs/dbraw/zinc/38/47/37/1127384737.db2.gz ZWWNMATWACXCCS-NWDGAFQWSA-N 0 1 271.351 3.677 20 0 CHADMN CC/C=C\CCN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000466826667 1127385812 /nfs/dbraw/zinc/38/58/12/1127385812.db2.gz RYETZMBANZJECT-XHRFTGCISA-N 0 1 259.393 3.805 20 0 CHADMN Cc1ccccc1C(C)(C)C(=O)NOCc1ccccc1 ZINC000058783689 1127385923 /nfs/dbraw/zinc/38/59/23/1127385923.db2.gz FXCFWXIWUOOSRN-UHFFFAOYSA-N 0 1 283.371 3.521 20 0 CHADMN C[C@@H]1CCCN(Cc2ccn(C3CCCC3)n2)[C@@H]1C ZINC000357301354 1127389272 /nfs/dbraw/zinc/38/92/72/1127389272.db2.gz GDVNETSQZPTZSV-ZIAGYGMSSA-N 0 1 261.413 3.619 20 0 CHADMN CSc1cc(CNCc2ccc(Cl)c(F)c2)ccn1 ZINC000357348938 1127389833 /nfs/dbraw/zinc/38/98/33/1127389833.db2.gz BTAMXLCGVBUPHU-UHFFFAOYSA-N 0 1 296.798 3.886 20 0 CHADMN CCOC(=O)C(C)(C)CCC[C@H](C)NC(C)(C)C(F)F ZINC000593623069 1127391359 /nfs/dbraw/zinc/39/13/59/1127391359.db2.gz HWFYURNANGDZOT-NSHDSACASA-N 0 1 293.398 3.768 20 0 CHADMN CC(C)OC(=O)CCN(C)[C@H](C)c1ccccc1Cl ZINC000357657532 1127393391 /nfs/dbraw/zinc/39/33/91/1127393391.db2.gz ZRAOUAOVXYRUHD-GFCCVEGCSA-N 0 1 283.799 3.675 20 0 CHADMN C[C@@H](NCCc1ccc2ccccc2n1)c1nccs1 ZINC000357787641 1127393910 /nfs/dbraw/zinc/39/39/10/1127393910.db2.gz AMZHVWWAENIVPJ-GFCCVEGCSA-N 0 1 283.400 3.585 20 0 CHADMN CSc1ccccc1CN1CCc2ccc(O)cc2C1 ZINC000358055182 1127399462 /nfs/dbraw/zinc/39/94/62/1127399462.db2.gz YZIBXGKPPPHQEI-UHFFFAOYSA-N 0 1 285.412 3.672 20 0 CHADMN COC(=O)c1coc(CN2CCCC[C@H]2c2ccccc2)c1 ZINC000358046039 1127398929 /nfs/dbraw/zinc/39/89/29/1127398929.db2.gz KCXKHWRZFKZOTD-KRWDZBQOSA-N 0 1 299.370 3.793 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C)[C@H]2CCC(C)(C)C2)c1 ZINC000358098992 1127402558 /nfs/dbraw/zinc/40/25/58/1127402558.db2.gz SPQGDGRMISBQRE-ZDUSSCGKSA-N 0 1 285.391 3.522 20 0 CHADMN CC(C)C[C@H](NCc1ccn(C)n1)c1ccc(Cl)cc1 ZINC000358250984 1127410694 /nfs/dbraw/zinc/41/06/94/1127410694.db2.gz QBKYSYAMQAKDCC-INIZCTEOSA-N 0 1 291.826 3.951 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[C@H](C(C)(C)C)C1 ZINC000358296982 1127414433 /nfs/dbraw/zinc/41/44/33/1127414433.db2.gz SLAMORIUIMJVIY-ZDUSSCGKSA-N 0 1 291.439 3.740 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1ccnc(OC2CCC2)c1 ZINC000358353992 1127416677 /nfs/dbraw/zinc/41/66/77/1127416677.db2.gz LJEJZTAIJDYVPB-AWEZNQCLSA-N 0 1 297.402 3.567 20 0 CHADMN CCOc1cc(CN2CCCC[C@H]2C)cc(Cl)c1O ZINC001308652944 1127421405 /nfs/dbraw/zinc/42/14/05/1127421405.db2.gz HRFODEFJSBKIAA-LLVKDONJSA-N 0 1 283.799 3.819 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1ccc(F)c(F)c1 ZINC000358505561 1127424513 /nfs/dbraw/zinc/42/45/13/1127424513.db2.gz KBYUFOFWZZOSJK-NSHDSACASA-N 0 1 276.330 3.773 20 0 CHADMN FC(F)(F)c1ccc(CN[C@H]2CCc3cccnc32)cc1 ZINC000226819544 1127427283 /nfs/dbraw/zinc/42/72/83/1127427283.db2.gz XUHIZCUBGLSDEP-AWEZNQCLSA-N 0 1 292.304 3.878 20 0 CHADMN C[C@H]1CSCC[N@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000358618665 1127428779 /nfs/dbraw/zinc/42/87/79/1127428779.db2.gz POMZHNBKNJLVPE-NSHDSACASA-N 0 1 292.835 3.826 20 0 CHADMN C[C@H]1CSCCN1Cc1c(Cl)ccc2cccnc21 ZINC000358618665 1127428781 /nfs/dbraw/zinc/42/87/81/1127428781.db2.gz POMZHNBKNJLVPE-NSHDSACASA-N 0 1 292.835 3.826 20 0 CHADMN CN(CCCO[C@@H]1CCCCO1)Cc1ccccc1Cl ZINC000358836461 1127435631 /nfs/dbraw/zinc/43/56/31/1127435631.db2.gz VPCGSHMBHAHELQ-MRXNPFEDSA-N 0 1 297.826 3.705 20 0 CHADMN Cc1nc2ccc(COc3ccc(F)cc3F)cc2[nH]1 ZINC000358852472 1127436421 /nfs/dbraw/zinc/43/64/21/1127436421.db2.gz JBYSCLXBGPSVRR-UHFFFAOYSA-N 0 1 274.270 3.729 20 0 CHADMN CCc1nc(CS[C@H]2CCCc3ccccc32)n[nH]1 ZINC000358856815 1127436598 /nfs/dbraw/zinc/43/65/98/1127436598.db2.gz LMSBIIPTIBESHA-ZDUSSCGKSA-N 0 1 273.405 3.678 20 0 CHADMN C[C@@H](CSCCF)NCc1c(F)cccc1Cl ZINC000595015471 1127441978 /nfs/dbraw/zinc/44/19/78/1127441978.db2.gz NUFVPZUVHZVJHU-VIFPVBQESA-N 0 1 279.783 3.660 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000574916320 1127451869 /nfs/dbraw/zinc/45/18/69/1127451869.db2.gz KEXXEHDYHHSENZ-GRYCIOLGSA-N 0 1 289.345 3.675 20 0 CHADMN Cn1cc(-c2nc3ccc(Cl)cc3[nH]2)c(C(F)F)n1 ZINC000359155822 1127452220 /nfs/dbraw/zinc/45/22/20/1127452220.db2.gz JYKOKDUUHMWNEA-UHFFFAOYSA-N 0 1 282.681 3.554 20 0 CHADMN CCc1nc(C)c([C@@H](C)N[C@@H](C)c2cncc(F)c2)s1 ZINC000359251358 1127455146 /nfs/dbraw/zinc/45/51/46/1127455146.db2.gz XEIKYGOILVWIFY-VHSXEESVSA-N 0 1 293.411 3.960 20 0 CHADMN CC/C=C\CCN(CC)CC(=O)Nc1c(F)cccc1F ZINC000466837065 1127460670 /nfs/dbraw/zinc/46/06/70/1127460670.db2.gz JEBGEEWCGRJPOO-WAYWQWQTSA-N 0 1 296.361 3.582 20 0 CHADMN Cc1ccccc1[C@H](NCc1cnccn1)C(C)(C)C ZINC000575014733 1127460918 /nfs/dbraw/zinc/46/09/18/1127460918.db2.gz NXJHQDMRONCQOD-INIZCTEOSA-N 0 1 269.392 3.662 20 0 CHADMN Cc1ccn2cc(CN[C@@H](c3cccnc3)C(C)C)nc2c1 ZINC000359384099 1127461224 /nfs/dbraw/zinc/46/12/24/1127461224.db2.gz JHTRQUCFYMKEQF-GOSISDBHSA-N 0 1 294.402 3.525 20 0 CHADMN CCC[C@H](CC)[S@@](=O)C=C(O)c1cc(C)n(CC)c1C ZINC000359384908 1127461307 /nfs/dbraw/zinc/46/13/07/1127461307.db2.gz GJKXDBUOYSBCTO-XOBRGWDASA-N 0 1 297.464 3.635 20 0 CHADMN CCN(Cc1ccc(Cl)cc1)Cc1cc(OC)ccn1 ZINC000359392790 1127461402 /nfs/dbraw/zinc/46/14/02/1127461402.db2.gz QTVWSPNGRNXJTM-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN Fc1ccc2c(c1)nccc2NCCCNc1ccccn1 ZINC000359467183 1127464415 /nfs/dbraw/zinc/46/44/15/1127464415.db2.gz PGLJCHCGKQYPBB-UHFFFAOYSA-N 0 1 296.349 3.683 20 0 CHADMN CCSCCN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000595514163 1127464917 /nfs/dbraw/zinc/46/49/17/1127464917.db2.gz BASNOHZMBNITKB-JTQLQIEISA-N 0 1 297.855 3.962 20 0 CHADMN COc1cc2c(cc1F)nccc2NC[C@H]1CCCS1 ZINC000359537566 1127466261 /nfs/dbraw/zinc/46/62/61/1127466261.db2.gz ZIKWCPVFIRERLQ-SNVBAGLBSA-N 0 1 292.379 3.690 20 0 CHADMN C[C@@H]1CC[C@@]2(CCN(CC(=O)c3c[nH]c4ccccc34)C2)C1 ZINC000359538337 1127467470 /nfs/dbraw/zinc/46/74/70/1127467470.db2.gz AVYPEKMVTFGEIH-AUUYWEPGSA-N 0 1 296.414 3.863 20 0 CHADMN Cc1nc(C[N@@H+](C)C[C@@H]2CCc3ccccc3C2)cs1 ZINC000359597997 1127469399 /nfs/dbraw/zinc/46/93/99/1127469399.db2.gz ORCKATCIBFKXCD-CQSZACIVSA-N 0 1 286.444 3.688 20 0 CHADMN Cc1nc(CN(C)C[C@@H]2CCc3ccccc3C2)cs1 ZINC000359597997 1127469402 /nfs/dbraw/zinc/46/94/02/1127469402.db2.gz ORCKATCIBFKXCD-CQSZACIVSA-N 0 1 286.444 3.688 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H](C)c1cnc(C)nc1C ZINC000359604451 1127469630 /nfs/dbraw/zinc/46/96/30/1127469630.db2.gz WLBLHLVZVQIKFX-NWDGAFQWSA-N 0 1 285.391 3.514 20 0 CHADMN CCc1cnc(CNc2ccnc3cc(F)ccc32)o1 ZINC000359642532 1127470879 /nfs/dbraw/zinc/47/08/79/1127470879.db2.gz XCTDASOXXCTGJU-UHFFFAOYSA-N 0 1 271.295 3.536 20 0 CHADMN CCCCCCNCc1occc1Br ZINC000227363218 1127473038 /nfs/dbraw/zinc/47/30/38/1127473038.db2.gz KLDOGFJBOGDKCY-UHFFFAOYSA-N 0 1 260.175 3.712 20 0 CHADMN CO[C@@]1(C)CCCN(c2cc(C)nc3ccc(F)cc32)C1 ZINC000359742614 1127476269 /nfs/dbraw/zinc/47/62/69/1127476269.db2.gz XALPWMOMUHIOMU-KRWDZBQOSA-N 0 1 288.366 3.688 20 0 CHADMN COc1cc2c(cc1F)nccc2NCC1(SC)CC1 ZINC000359793329 1127478342 /nfs/dbraw/zinc/47/83/42/1127478342.db2.gz AGSXTBCQVLHNLV-UHFFFAOYSA-N 0 1 292.379 3.690 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H](C)c2oc3ccccc3c2C)c1C ZINC000359910126 1127482796 /nfs/dbraw/zinc/48/27/96/1127482796.db2.gz NRCCPXWAUVBPJC-GFCCVEGCSA-N 0 1 297.358 3.572 20 0 CHADMN CC(C)=CC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000360108229 1127489992 /nfs/dbraw/zinc/48/99/92/1127489992.db2.gz RQAXXRZEDMHVCF-OAHLLOKOSA-N 0 1 283.375 3.501 20 0 CHADMN CC(C)c1cc(CN[C@H](C)CSC(C)(C)C)on1 ZINC000169245065 1127490759 /nfs/dbraw/zinc/49/07/59/1127490759.db2.gz MHIGADWKZCJANZ-LLVKDONJSA-N 0 1 270.442 3.808 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000360426521 1127498870 /nfs/dbraw/zinc/49/88/70/1127498870.db2.gz FTEYBKHSMQJUBJ-PWSUYJOCSA-N 0 1 271.364 3.636 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2nccs2)CC12CCCCC2 ZINC000360611574 1127502554 /nfs/dbraw/zinc/50/25/54/1127502554.db2.gz NLMVMBRVPSBFHS-CYBMUJFWSA-N 0 1 264.438 3.935 20 0 CHADMN C[C@@H]1CCN(Cc2nccs2)CC12CCCCC2 ZINC000360611574 1127502555 /nfs/dbraw/zinc/50/25/55/1127502555.db2.gz NLMVMBRVPSBFHS-CYBMUJFWSA-N 0 1 264.438 3.935 20 0 CHADMN COc1c(CN2CC=CC2)cccc1OCc1ccccc1 ZINC001238747513 1131239635 /nfs/dbraw/zinc/23/96/35/1131239635.db2.gz XTFWQBJFLQSNJY-UHFFFAOYSA-N 0 1 295.382 3.646 20 0 CHADMN COc1ccc(C2(NCc3conc3C)CCCC2)cc1 ZINC000293565910 1127505470 /nfs/dbraw/zinc/50/54/70/1127505470.db2.gz MMYUFQKIBYEMFD-UHFFFAOYSA-N 0 1 286.375 3.551 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)c1 ZINC000360688669 1127506396 /nfs/dbraw/zinc/50/63/96/1127506396.db2.gz KFGDIOHNHYJYGF-BJJXKVORSA-N 0 1 297.402 3.522 20 0 CHADMN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC000360705491 1127506969 /nfs/dbraw/zinc/50/69/69/1127506969.db2.gz QDBIASGQJNHRAI-YPMHNXCESA-N 0 1 289.423 3.574 20 0 CHADMN CC[C@H](CN(CC)Cc1nccc(C)n1)c1ccccc1 ZINC000360725048 1127508242 /nfs/dbraw/zinc/50/82/42/1127508242.db2.gz HVWHCBVVFZWZPZ-MRXNPFEDSA-N 0 1 283.419 3.801 20 0 CHADMN C[C@@H]1CN(C)CCN1Cc1ccccc1Oc1ccccc1 ZINC000596604736 1127510519 /nfs/dbraw/zinc/51/05/19/1127510519.db2.gz JNLJRADDBOCIFF-MRXNPFEDSA-N 0 1 296.414 3.615 20 0 CHADMN O=C(c1cnc(-c2ccccc2)[nH]1)N(C1CCC1)C1CCC1 ZINC000293652852 1127510936 /nfs/dbraw/zinc/51/09/36/1127510936.db2.gz HCUDWORRRFLWPB-UHFFFAOYSA-N 0 1 295.386 3.624 20 0 CHADMN CCc1ccc(C(C)(C)NCc2conc2C)cc1 ZINC000293708216 1127514149 /nfs/dbraw/zinc/51/41/49/1127514149.db2.gz XRFUNUXDMUMCAK-UHFFFAOYSA-N 0 1 258.365 3.570 20 0 CHADMN COc1c(O)cccc1CNC(C)(C)c1ccccc1C ZINC000293684042 1127512926 /nfs/dbraw/zinc/51/29/26/1127512926.db2.gz PXZXDPQVVPFVIR-UHFFFAOYSA-N 0 1 285.387 3.734 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2C[C@H](c3ccc(F)cc3)C2)no1 ZINC000293698926 1127513985 /nfs/dbraw/zinc/51/39/85/1127513985.db2.gz LVPPAOSYADQXQK-UXIGCNINSA-N 0 1 274.339 3.719 20 0 CHADMN CCn1nc(C)c(CNCc2ccc(C(F)F)cc2)c1C ZINC000360832562 1127514624 /nfs/dbraw/zinc/51/46/24/1127514624.db2.gz LBVMZIKNAHMKHG-UHFFFAOYSA-N 0 1 293.361 3.747 20 0 CHADMN CC(C)c1nnc(CNC[C@H](C)Cc2ccccc2)s1 ZINC000360893699 1127518204 /nfs/dbraw/zinc/51/82/04/1127518204.db2.gz GYLQKXWFLYDYKZ-CYBMUJFWSA-N 0 1 289.448 3.630 20 0 CHADMN Cc1nnsc1CN[C@H]1CCCc2c(Cl)cccc21 ZINC000293765502 1127518577 /nfs/dbraw/zinc/51/85/77/1127518577.db2.gz SINYUOWURAQKJS-ZDUSSCGKSA-N 0 1 293.823 3.667 20 0 CHADMN Cc1ccoc1CN[C@@H](c1cccnc1)C1CCC1 ZINC000293823621 1127523695 /nfs/dbraw/zinc/52/36/95/1127523695.db2.gz WCWHJDJJBCMFTC-MRXNPFEDSA-N 0 1 256.349 3.614 20 0 CHADMN Cc1nc([C@@H](C)NCCc2cc(F)ccc2F)cs1 ZINC000361007946 1127528912 /nfs/dbraw/zinc/52/89/12/1127528912.db2.gz CFQYPOSCECFEAQ-SECBINFHSA-N 0 1 282.359 3.623 20 0 CHADMN CSC[C@@H]1CCC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000293886093 1127529596 /nfs/dbraw/zinc/52/95/96/1127529596.db2.gz JZXATUXWFORQQM-LLVKDONJSA-N 0 1 285.840 3.621 20 0 CHADMN CSC[C@@H]1CCC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000293886093 1127529599 /nfs/dbraw/zinc/52/95/99/1127529599.db2.gz JZXATUXWFORQQM-LLVKDONJSA-N 0 1 285.840 3.621 20 0 CHADMN CSCCCN(C)Cc1cccc(OC2CC2)c1F ZINC000597126041 1127529729 /nfs/dbraw/zinc/52/97/29/1127529729.db2.gz MRIGVFWFBQATAK-UHFFFAOYSA-N 0 1 283.412 3.552 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1nnc(C2CCC2)n1C ZINC000360971170 1127524894 /nfs/dbraw/zinc/52/48/94/1127524894.db2.gz ZSIBZFBNTKCKNJ-OAHLLOKOSA-N 0 1 290.455 3.627 20 0 CHADMN COc1cc([C@@H](C)N[C@H]2CCCc3ccc(O)cc32)ccn1 ZINC000361001326 1127528071 /nfs/dbraw/zinc/52/80/71/1127528071.db2.gz FEPUJNIWGUTMPL-PXAZEXFGSA-N 0 1 298.386 3.524 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1ccc(F)c(F)c1F ZINC000597134045 1127528635 /nfs/dbraw/zinc/52/86/35/1127528635.db2.gz ZWTAGFMKQQYPIX-JTQLQIEISA-N 0 1 277.355 3.677 20 0 CHADMN Cc1cc(F)ccc1CN1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361023471 1127530895 /nfs/dbraw/zinc/53/08/95/1127530895.db2.gz VVVSCWJHHHAAFW-UHFFFAOYSA-N 0 1 297.373 3.887 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccc(C(F)F)cc2)c(C)n1 ZINC000361028982 1127531453 /nfs/dbraw/zinc/53/14/53/1127531453.db2.gz GNVKTKRCTLCVNT-JTQLQIEISA-N 0 1 291.345 3.882 20 0 CHADMN COc1ccccc1OCCN1Cc2ccccc2[C@H]1C ZINC000361073404 1127535623 /nfs/dbraw/zinc/53/56/23/1127535623.db2.gz NTEIFOPRZZRJPZ-CQSZACIVSA-N 0 1 283.371 3.651 20 0 CHADMN Cc1ccoc1CN1Cc2ccccc2C2(CC2)C1 ZINC000361142314 1127542120 /nfs/dbraw/zinc/54/21/20/1127542120.db2.gz PPLIHCFGXYTEII-UHFFFAOYSA-N 0 1 253.345 3.635 20 0 CHADMN CCCC1(C(=O)Nc2cc(C(=O)CC)ccc2O)CCC1 ZINC000361148076 1127542317 /nfs/dbraw/zinc/54/23/17/1127542317.db2.gz AHDSXVVLAMKOSP-UHFFFAOYSA-N 0 1 289.375 3.894 20 0 CHADMN CC(C)(C)c1n[nH]cc1C(=O)Nc1ccc(C2CCC2)cn1 ZINC000293967961 1127537847 /nfs/dbraw/zinc/53/78/47/1127537847.db2.gz BENSEWIXKKIEIS-UHFFFAOYSA-N 0 1 298.390 3.622 20 0 CHADMN CC(C)O[C@@H]1C[C@H](NCc2csc(C3CC3)n2)C1(C)C ZINC000361228755 1127548641 /nfs/dbraw/zinc/54/86/41/1127548641.db2.gz NSGJLUXKHVDLTK-UONOGXRCSA-N 0 1 294.464 3.702 20 0 CHADMN Cc1csc(CN2CC[C@](C)(c3ccc(F)cc3)C2)n1 ZINC000361183555 1127545672 /nfs/dbraw/zinc/54/56/72/1127545672.db2.gz XYQBZKIGHLYXGQ-INIZCTEOSA-N 0 1 290.407 3.754 20 0 CHADMN Cc1nc(CN2CC[C@@](C)(c3ccc(F)cc3)C2)cs1 ZINC000361193650 1127546010 /nfs/dbraw/zinc/54/60/10/1127546010.db2.gz HYQFFJJTUOEMLD-MRXNPFEDSA-N 0 1 290.407 3.754 20 0 CHADMN Cc1nocc1CN[C@H](C)c1cccc(OC(C)C)c1 ZINC000294058876 1127546111 /nfs/dbraw/zinc/54/61/11/1127546111.db2.gz JUBQWSHMBVUCLQ-GFCCVEGCSA-N 0 1 274.364 3.621 20 0 CHADMN CSC1(CNc2cc3c(cn2)CCCC3)CCC1 ZINC000361237341 1127549377 /nfs/dbraw/zinc/54/93/77/1127549377.db2.gz JOOASYQZGXGQOB-UHFFFAOYSA-N 0 1 262.422 3.658 20 0 CHADMN CC(C)O[C@H]1C[C@H](NCc2csc(C(C)C)n2)C1(C)C ZINC000361236877 1127549453 /nfs/dbraw/zinc/54/94/53/1127549453.db2.gz LYTLFQFSYYEUFZ-KBPBESRZSA-N 0 1 296.480 3.948 20 0 CHADMN COCc1ccc(CN2CC(c3ccccc3F)C2)cc1 ZINC000361254429 1127550922 /nfs/dbraw/zinc/55/09/22/1127550922.db2.gz YJUZHOBPTPPFKE-UHFFFAOYSA-N 0 1 285.362 3.572 20 0 CHADMN COc1cccc2c1OCC[C@@H]2N[C@@H](C)c1cccs1 ZINC000361268152 1127551946 /nfs/dbraw/zinc/55/19/46/1127551946.db2.gz GBBDDWRLDHAQGA-AAEUAGOBSA-N 0 1 289.400 3.931 20 0 CHADMN COc1cccc2c1OCC[C@H]2N[C@H](C)c1cccs1 ZINC000361268153 1127552414 /nfs/dbraw/zinc/55/24/14/1127552414.db2.gz GBBDDWRLDHAQGA-DGCLKSJQSA-N 0 1 289.400 3.931 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@H](C)c1c[nH]nc1C ZINC000669618597 1127552768 /nfs/dbraw/zinc/55/27/68/1127552768.db2.gz JTCKLEHSIBMAOY-WDEREUQCSA-N 0 1 275.421 3.852 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cncc(C(F)(F)F)c1 ZINC000361281645 1127553004 /nfs/dbraw/zinc/55/30/04/1127553004.db2.gz PPWLOTIGZXZLSG-CYBMUJFWSA-N 0 1 272.314 3.865 20 0 CHADMN CC(C)CC[C@H](O)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000361294502 1127553513 /nfs/dbraw/zinc/55/35/13/1127553513.db2.gz KKINWYIBJRVWON-HKUYNNGSSA-N 0 1 298.430 3.558 20 0 CHADMN CC[C@]1(C)CCN(Cc2cncc(C(F)(F)F)c2)C1 ZINC000361313377 1127556136 /nfs/dbraw/zinc/55/61/36/1127556136.db2.gz JYLVCKTZYIORDR-CYBMUJFWSA-N 0 1 272.314 3.722 20 0 CHADMN FC(F)(F)c1cncc(CN2CCC[C@@H]3CCC[C@H]32)c1 ZINC000361320199 1127557120 /nfs/dbraw/zinc/55/71/20/1127557120.db2.gz YYAGNYHEZHBDQH-GXTWGEPZSA-N 0 1 284.325 3.865 20 0 CHADMN CCCCc1nc(CN2CC[C@@H](C)[C@H]2C)cs1 ZINC000361324951 1127557272 /nfs/dbraw/zinc/55/72/72/1127557272.db2.gz JXGMWLFBVOJPBS-VXGBXAGGSA-N 0 1 252.427 3.716 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)c3ccoc3)cc2[nH]1 ZINC000294325268 1127564895 /nfs/dbraw/zinc/56/48/95/1127564895.db2.gz JACGESGKCYMXDB-UHFFFAOYSA-N 0 1 283.331 3.706 20 0 CHADMN CC(C)c1ncc(CN(C)[C@@H]2C[C@@H]2c2ccccc2)cn1 ZINC000361381943 1127560274 /nfs/dbraw/zinc/56/02/74/1127560274.db2.gz RTRAZRZAYTZUSV-IAGOWNOFSA-N 0 1 281.403 3.588 20 0 CHADMN C[C@H]1CCCN(Cc2cc(Cl)cnc2F)C[C@H]1C ZINC001231990631 1127566897 /nfs/dbraw/zinc/56/68/97/1127566897.db2.gz FRFCWOGZNOSDCJ-WDEREUQCSA-N 0 1 270.779 3.742 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2conc2C)o1 ZINC000294353415 1127567186 /nfs/dbraw/zinc/56/71/86/1127567186.db2.gz SSDIKIVBXGZWHP-XHDPSFHLSA-N 0 1 274.364 3.858 20 0 CHADMN CC1CCC(N(C)Cc2nccn2-c2ccccc2)CC1 ZINC000361492189 1127567292 /nfs/dbraw/zinc/56/72/92/1127567292.db2.gz FIKYBWKYJOBOTM-UHFFFAOYSA-N 0 1 283.419 3.883 20 0 CHADMN Cc1ccc2c(c1)CN(CCN1Cc3ccc(C)cc3C1)C2 ZINC000361599225 1127575798 /nfs/dbraw/zinc/57/57/98/1127575798.db2.gz CIKFOZRYXDFTMM-UHFFFAOYSA-N 0 1 292.426 3.635 20 0 CHADMN Cc1cc(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)on1 ZINC000361589948 1127574688 /nfs/dbraw/zinc/57/46/88/1127574688.db2.gz IOCANFJLJSNEQC-NEPJUHHUSA-N 0 1 276.302 3.536 20 0 CHADMN C[C@H]1CCSCCN1Cc1ccsc1Cl ZINC000361645687 1127579209 /nfs/dbraw/zinc/57/92/09/1127579209.db2.gz FCZYSEMGXGUULR-VIFPVBQESA-N 0 1 261.843 3.729 20 0 CHADMN C[C@]1(c2ccc(F)cc2)CCN(Cc2ccc(F)cn2)C1 ZINC000361647335 1127579260 /nfs/dbraw/zinc/57/92/60/1127579260.db2.gz YENAJTBJVFWHEK-KRWDZBQOSA-N 0 1 288.341 3.523 20 0 CHADMN Cc1cnccc1CN(C)Cc1ccc(Cl)cc1 ZINC000294540653 1127581588 /nfs/dbraw/zinc/58/15/88/1127581588.db2.gz ITWCMKWFZDMROO-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1cnccc1CN1CCc2sccc2[C@@H]1C ZINC000294544945 1127582117 /nfs/dbraw/zinc/58/21/17/1127582117.db2.gz JKOFFHPEFJDJOD-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN Cc1noc([C@H](C)NC2CC(C)(C)CC(C)(C)C2)n1 ZINC000361608351 1127576722 /nfs/dbraw/zinc/57/67/22/1127576722.db2.gz FQOPGVLDGMSNAY-JTQLQIEISA-N 0 1 265.401 3.634 20 0 CHADMN Cc1cc(CNCc2cccc(C(F)(F)F)n2)ccc1F ZINC000294664338 1127589654 /nfs/dbraw/zinc/58/96/54/1127589654.db2.gz AIIWCRFCXIVDRV-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Cc1ccc([C@@H]2CCC[C@@H]2N(C)Cc2ncccn2)cc1 ZINC000361829857 1127592273 /nfs/dbraw/zinc/59/22/73/1127592273.db2.gz IWISJFPCPRYYOM-IRXDYDNUSA-N 0 1 281.403 3.553 20 0 CHADMN CCC1CCC(NCc2ncc(C(F)(F)F)cn2)CC1 ZINC000294704613 1127592829 /nfs/dbraw/zinc/59/28/29/1127592829.db2.gz BMMUTOUGYNWPQV-UHFFFAOYSA-N 0 1 287.329 3.554 20 0 CHADMN Fc1cc(CN[C@@H](c2ccccc2)C2CC2)c(F)cn1 ZINC000294749558 1127596439 /nfs/dbraw/zinc/59/64/39/1127596439.db2.gz KQSKBFMWRMVBSU-INIZCTEOSA-N 0 1 274.314 3.601 20 0 CHADMN CC[C@@H](N[C@@H](CCO)c1ccccc1)c1ccccc1OC ZINC000361880139 1127596453 /nfs/dbraw/zinc/59/64/53/1127596453.db2.gz KXTNUNIBOWYFGD-MSOLQXFVSA-N 0 1 299.414 3.860 20 0 CHADMN COc1ccc(F)c(CN2CC[C@H](CC(F)(F)F)C2)c1 ZINC000294810350 1127600658 /nfs/dbraw/zinc/60/06/58/1127600658.db2.gz WSCRWYIGTKBWBC-SNVBAGLBSA-N 0 1 291.288 3.609 20 0 CHADMN CC[C@@H](NCc1cc(F)ncc1F)c1ccc(OC)cc1 ZINC000294768816 1127597703 /nfs/dbraw/zinc/59/77/03/1127597703.db2.gz MRKSNACNBWCLNN-OAHLLOKOSA-N 0 1 292.329 3.609 20 0 CHADMN CC[C@H](NCc1cc(F)ncc1F)c1ccc(OC)cc1 ZINC000294768814 1127597755 /nfs/dbraw/zinc/59/77/55/1127597755.db2.gz MRKSNACNBWCLNN-HNNXBMFYSA-N 0 1 292.329 3.609 20 0 CHADMN Cc1ccccc1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000170214007 1127598354 /nfs/dbraw/zinc/59/83/54/1127598354.db2.gz GNBUAIWXFPSHBV-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN CC(C)O[C@@H]1C[C@H](NCc2ncc(C(C)C)s2)C1(C)C ZINC000361913684 1127598675 /nfs/dbraw/zinc/59/86/75/1127598675.db2.gz KTLUIXAFNHGXLF-UONOGXRCSA-N 0 1 296.480 3.948 20 0 CHADMN Cc1cnc(CNCCc2cc3ccccc3o2)s1 ZINC000294915766 1127608773 /nfs/dbraw/zinc/60/87/73/1127608773.db2.gz ALNPFHWUZALATQ-UHFFFAOYSA-N 0 1 272.373 3.530 20 0 CHADMN CSC1CCN(Cc2ccc(Cl)s2)CC1 ZINC000602726372 1127609269 /nfs/dbraw/zinc/60/92/69/1127609269.db2.gz QXVFMQUTEUQDHV-UHFFFAOYSA-N 0 1 261.843 3.729 20 0 CHADMN Cc1ccccc1[C@H](NCc1cnns1)C(C)(C)C ZINC000294956896 1127610056 /nfs/dbraw/zinc/61/00/56/1127610056.db2.gz JOOKRRIOIRVABM-AWEZNQCLSA-N 0 1 275.421 3.724 20 0 CHADMN COCc1ccc(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)o1 ZINC000295002099 1127613437 /nfs/dbraw/zinc/61/34/37/1127613437.db2.gz LMPIBNPVYJVXCD-WDEREUQCSA-N 0 1 291.313 3.589 20 0 CHADMN C[C@@H](NCc1ccc(F)cn1)c1cc2c(s1)CCC2 ZINC000362129810 1127613678 /nfs/dbraw/zinc/61/36/78/1127613678.db2.gz ODILGWGKIILLBN-SNVBAGLBSA-N 0 1 276.380 3.622 20 0 CHADMN C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccsc1 ZINC000295117429 1127621271 /nfs/dbraw/zinc/62/12/71/1127621271.db2.gz WWYCEJDEGCUTSL-ONGXEEELSA-N 0 1 263.328 3.911 20 0 CHADMN CCC[C@@H](CNCc1csc(-c2cccs2)n1)OC ZINC000295122783 1127622054 /nfs/dbraw/zinc/62/20/54/1127622054.db2.gz NMLBCPXKEBPVPO-LBPRGKRZSA-N 0 1 296.461 3.776 20 0 CHADMN CSC1CCN(Cc2cc(-c3ccccc3)on2)CC1 ZINC000602923124 1127622489 /nfs/dbraw/zinc/62/24/89/1127622489.db2.gz ZKLYXSHUFAQLGI-UHFFFAOYSA-N 0 1 288.416 3.669 20 0 CHADMN CSC1CCN([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000602922116 1127622646 /nfs/dbraw/zinc/62/26/46/1127622646.db2.gz RBPKLPAGTJFCQT-SNVBAGLBSA-N 0 1 271.376 3.853 20 0 CHADMN Cc1cnc(CNCCc2nc(C(C)(C)C)cs2)s1 ZINC000295161601 1127624763 /nfs/dbraw/zinc/62/47/63/1127624763.db2.gz KPCKFRKQKKFRSY-UHFFFAOYSA-N 0 1 295.477 3.538 20 0 CHADMN CC[C@H](NCc1cccc2c1OCO2)c1ccccc1OC ZINC000060975479 1127628305 /nfs/dbraw/zinc/62/83/05/1127628305.db2.gz SCPYQDKCELVHLX-HNNXBMFYSA-N 0 1 299.370 3.665 20 0 CHADMN CCSCCN[C@H](C(F)F)C1CCCCC1 ZINC000598649901 1127630303 /nfs/dbraw/zinc/63/03/03/1127630303.db2.gz NINGUTLJWKPCKO-NSHDSACASA-N 0 1 251.386 3.543 20 0 CHADMN COc1nccc(CN[C@@H](C)c2cc3ccccc3s2)n1 ZINC000295287419 1127632324 /nfs/dbraw/zinc/63/23/24/1127632324.db2.gz WRSFRIMDWWIVON-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN CCC[C@]1(C)CCCN([C@H](C)c2nnc(CC)o2)C1 ZINC000362434593 1127635754 /nfs/dbraw/zinc/63/57/54/1127635754.db2.gz NCPDYAHDXCIFKP-IUODEOHRSA-N 0 1 265.401 3.595 20 0 CHADMN Cc1cnc(CNCCc2csc(C(C)(C)C)n2)s1 ZINC000295377448 1127639055 /nfs/dbraw/zinc/63/90/55/1127639055.db2.gz KEHJYHYEAHDGLC-UHFFFAOYSA-N 0 1 295.477 3.538 20 0 CHADMN CCN(Cc1cc(F)ncc1F)[C@H](C)Cc1ccsc1 ZINC000295386910 1127639903 /nfs/dbraw/zinc/63/99/03/1127639903.db2.gz KYRRHXZPEGOARW-LLVKDONJSA-N 0 1 296.386 3.874 20 0 CHADMN Cc1cc(C)c2c(c1)CN(Cc1ccc(C)nc1)CC2 ZINC000362517247 1127642129 /nfs/dbraw/zinc/64/21/29/1127642129.db2.gz XVKXDNRMPIFXHR-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN C[C@H](NCc1n[nH]c(C(C)(C)C)n1)c1cccc(C2CC2)c1 ZINC000295466770 1127644074 /nfs/dbraw/zinc/64/40/74/1127644074.db2.gz QLOUHEXUTYGGLP-LBPRGKRZSA-N 0 1 298.434 3.830 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1ccnc(C(F)(F)F)c1 ZINC001232241064 1127644730 /nfs/dbraw/zinc/64/47/30/1127644730.db2.gz DCDQDUYAMXAJOK-WDEREUQCSA-N 0 1 272.314 3.721 20 0 CHADMN Cc1sccc1CN(C)[C@H](C)c1cccc(O)c1 ZINC000295493045 1127644862 /nfs/dbraw/zinc/64/48/62/1127644862.db2.gz XVGIJUDJLANCLX-LLVKDONJSA-N 0 1 261.390 3.955 20 0 CHADMN CCCN(CC(F)F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000603413917 1127646884 /nfs/dbraw/zinc/64/68/84/1127646884.db2.gz LCRILCCBYRNEPL-MRXNPFEDSA-N 0 1 296.405 3.628 20 0 CHADMN CSC1(CNCc2c(F)ccc(F)c2Cl)CC1 ZINC000598973901 1127648590 /nfs/dbraw/zinc/64/85/90/1127648590.db2.gz GIQMVZQZGWXNHY-UHFFFAOYSA-N 0 1 277.767 3.603 20 0 CHADMN CC/C=C/CN[C@@H](C)c1cc(Br)ncc1F ZINC000295836688 1127654885 /nfs/dbraw/zinc/65/48/85/1127654885.db2.gz AFQCOAUQDWJWNQ-MOVJSRMASA-N 0 1 287.176 3.600 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3c2ccc(Cl)c3Cl)[nH]n1 ZINC000603515128 1127656049 /nfs/dbraw/zinc/65/60/49/1127656049.db2.gz OUXFACWXVUUXGF-CYBMUJFWSA-N 0 1 296.201 3.802 20 0 CHADMN Clc1cccc(CN[C@@H]2C=CCC2)c1Br ZINC000719415294 1127656693 /nfs/dbraw/zinc/65/66/93/1127656693.db2.gz LUSLHJKTEKOSBT-SNVBAGLBSA-N 0 1 286.600 3.911 20 0 CHADMN CC[C@H](NCc1cn2ccccc2n1)c1ccsc1 ZINC000295926019 1127657413 /nfs/dbraw/zinc/65/74/13/1127657413.db2.gz JYYMVCISZZRIOU-AWEZNQCLSA-N 0 1 271.389 3.637 20 0 CHADMN Fc1cc(F)c2c(c1)[C@@H](NCc1cncs1)CCC2 ZINC000295976160 1127658897 /nfs/dbraw/zinc/65/88/97/1127658897.db2.gz JBHBUMYTJLBYOJ-AWEZNQCLSA-N 0 1 280.343 3.589 20 0 CHADMN C[C@@H](N[C@H]1CCCc2nc(Cl)ccc21)c1ccccn1 ZINC000296017672 1127660519 /nfs/dbraw/zinc/66/05/19/1127660519.db2.gz PGKIMJRPUWKENP-RISCZKNCSA-N 0 1 287.794 3.858 20 0 CHADMN Oc1cccc(CN[C@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000296125348 1127663920 /nfs/dbraw/zinc/66/39/20/1127663920.db2.gz UCEVMUXIYYEPCX-KRWDZBQOSA-N 0 1 289.325 3.838 20 0 CHADMN CCn1cc([C@@H](C)N[C@@H](C)c2nccc3ccccc32)cn1 ZINC000296056706 1127661955 /nfs/dbraw/zinc/66/19/55/1127661955.db2.gz VMXRETHJUMLAFH-KGLIPLIRSA-N 0 1 294.402 3.863 20 0 CHADMN COc1nccc(CN[C@@H](c2ccccc2)C2CCCC2)n1 ZINC000296298589 1127668069 /nfs/dbraw/zinc/66/80/69/1127668069.db2.gz FYSLRAPVNZQBLS-KRWDZBQOSA-N 0 1 297.402 3.506 20 0 CHADMN COc1ncc(CN[C@@H]2CCCc3occc32)cc1Cl ZINC000296312982 1127668563 /nfs/dbraw/zinc/66/85/63/1127668563.db2.gz GLLRCXMMWNHQMQ-CYBMUJFWSA-N 0 1 292.766 3.504 20 0 CHADMN CC(C)OC1CC(Nc2ccc3cnccc3c2)C1 ZINC000296587569 1127677059 /nfs/dbraw/zinc/67/70/59/1127677059.db2.gz QEBBQZDHBGQCJH-UHFFFAOYSA-N 0 1 256.349 3.603 20 0 CHADMN CCn1ccnc1CN[C@@H](c1ccc(C)cc1)C1CCC1 ZINC000296596339 1127677672 /nfs/dbraw/zinc/67/76/72/1127677672.db2.gz VHMAPEOUIKRJED-GOSISDBHSA-N 0 1 283.419 3.842 20 0 CHADMN C[C@@H]1CC[C@@H](N[C@H]2CCn3ccnc32)c2ccccc21 ZINC000296719766 1127682255 /nfs/dbraw/zinc/68/22/55/1127682255.db2.gz IOGHWWYKZXULBI-WQVCFCJDSA-N 0 1 267.376 3.556 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@@H](C)c1c[nH]nc1C ZINC000669705241 1127685022 /nfs/dbraw/zinc/68/50/22/1127685022.db2.gz JTCKLEHSIBMAOY-MNOVXSKESA-N 0 1 275.421 3.852 20 0 CHADMN COc1ccc2c(c1)OCC[C@@H]2N[C@H](C)c1cncc(C)c1 ZINC000363809327 1127685087 /nfs/dbraw/zinc/68/50/87/1127685087.db2.gz BHNKRNBRYQKVKA-DYVFJYSZSA-N 0 1 298.386 3.573 20 0 CHADMN COC(=O)C1C[C@H](C)N(Cc2ccccc2Cl)[C@@H](C)C1 ZINC000599687973 1127687866 /nfs/dbraw/zinc/68/78/66/1127687866.db2.gz AMDGYUJWYQJQIW-RYUDHWBXSA-N 0 1 295.810 3.502 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2csc(C)c2)n[nH]1 ZINC000297033370 1127688269 /nfs/dbraw/zinc/68/82/69/1127688269.db2.gz XOAQVBNUIDHMNV-KOLCDFICSA-N 0 1 278.425 3.539 20 0 CHADMN CC(C)(CNCc1c(F)cccc1F)Oc1ccccc1 ZINC000604072249 1127693013 /nfs/dbraw/zinc/69/30/13/1127693013.db2.gz JQTPAZFCYKLODE-UHFFFAOYSA-N 0 1 291.341 3.912 20 0 CHADMN FC(F)Oc1cccc(NCc2[nH]nc3ccccc32)c1 ZINC000604064594 1127693326 /nfs/dbraw/zinc/69/33/26/1127693326.db2.gz WDLHFHHPCJUERO-UHFFFAOYSA-N 0 1 289.285 3.776 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NCc1cc(C2CC2)ccc1F ZINC000297392304 1127695618 /nfs/dbraw/zinc/69/56/18/1127695618.db2.gz RXYWHPMQGXAECG-NSHDSACASA-N 0 1 287.382 3.596 20 0 CHADMN CC[C@@H](NCc1cn2c(cccc2C)n1)c1ccsc1 ZINC000297535209 1127699449 /nfs/dbraw/zinc/69/94/49/1127699449.db2.gz DSUNWMJCIVEUQR-OAHLLOKOSA-N 0 1 285.416 3.945 20 0 CHADMN Cc1nnc(C[N@@H+]2CC[C@H](Cc3ccc(C(C)C)cc3)C2)o1 ZINC000364316773 1127696895 /nfs/dbraw/zinc/69/68/95/1127696895.db2.gz MLCVHQRSWGPDSG-MRXNPFEDSA-N 0 1 299.418 3.566 20 0 CHADMN Cc1nnc(CN2CC[C@H](Cc3ccc(C(C)C)cc3)C2)o1 ZINC000364316773 1127696897 /nfs/dbraw/zinc/69/68/97/1127696897.db2.gz MLCVHQRSWGPDSG-MRXNPFEDSA-N 0 1 299.418 3.566 20 0 CHADMN Cc1c(F)cc(CN(C)C2CC(F)(F)C2)cc1F ZINC001232419604 1127699829 /nfs/dbraw/zinc/69/98/29/1127699829.db2.gz IDMGVHXIZVGYFP-UHFFFAOYSA-N 0 1 261.262 3.503 20 0 CHADMN c1cc(-c2noc(CN3CCCC4(CC4)CC3)n2)cs1 ZINC000626113396 1127703384 /nfs/dbraw/zinc/70/33/84/1127703384.db2.gz QOVNFEBJKLELHU-UHFFFAOYSA-N 0 1 289.404 3.564 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000297766100 1127707247 /nfs/dbraw/zinc/70/72/47/1127707247.db2.gz OYQCKRAKRUQQPN-LSDHHAIUSA-N 0 1 271.408 3.932 20 0 CHADMN CC[C@@H]1CCCN(CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000604999010 1127725610 /nfs/dbraw/zinc/72/56/10/1127725610.db2.gz BXNFCTAUKZKQOM-CYBMUJFWSA-N 0 1 294.826 3.791 20 0 CHADMN FC(F)(F)c1cccnc1CN1CCCC12CCC2 ZINC000365628586 1127736145 /nfs/dbraw/zinc/73/61/45/1127736145.db2.gz LQYKCTMJUKPCHU-UHFFFAOYSA-N 0 1 270.298 3.619 20 0 CHADMN CCCC1(CNCc2occc2Br)CC1 ZINC000230157648 1127745236 /nfs/dbraw/zinc/74/52/36/1127745236.db2.gz LFLSIVCHQPPLNT-UHFFFAOYSA-N 0 1 272.186 3.712 20 0 CHADMN Cc1ccc([C@H]2CCCCCN2Cc2ccnc(C)n2)o1 ZINC000366485651 1127747125 /nfs/dbraw/zinc/74/71/25/1127747125.db2.gz WWENVSXEOVMAOP-MRXNPFEDSA-N 0 1 285.391 3.804 20 0 CHADMN CC(C)c1cc(=O)n([C@@H](C)c2ccc(Cl)cc2)[nH]1 ZINC001245917225 1131240975 /nfs/dbraw/zinc/24/09/75/1131240975.db2.gz HTZUJXJUWBHRKS-JTQLQIEISA-N 0 1 264.756 3.975 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1nc(C(C)C)no1 ZINC000606433926 1127761986 /nfs/dbraw/zinc/76/19/86/1127761986.db2.gz CJEVJOKPZCQKMM-OLZOCXBDSA-N 0 1 265.401 3.594 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CCCOC(C)(C)C1 ZINC000606433733 1127762331 /nfs/dbraw/zinc/76/23/31/1127762331.db2.gz CDGDLZBBQZDDQQ-OAHLLOKOSA-N 0 1 283.362 3.917 20 0 CHADMN CCN(Cc1cc(-c2cccs2)on1)C1CCC1 ZINC000606434996 1127762578 /nfs/dbraw/zinc/76/25/78/1127762578.db2.gz WNQCNLOUMWTDEJ-UHFFFAOYSA-N 0 1 262.378 3.778 20 0 CHADMN CCN(Cc1ncc(-c2cccs2)o1)C1CCC1 ZINC000606434677 1127762599 /nfs/dbraw/zinc/76/25/99/1127762599.db2.gz KDTVYJVTELCOAQ-UHFFFAOYSA-N 0 1 262.378 3.778 20 0 CHADMN C[C@@H]1c2ccc(F)cc2CCN1CCOc1ccccc1 ZINC000606448576 1127763883 /nfs/dbraw/zinc/76/38/83/1127763883.db2.gz BENONBUMIZFHTK-CQSZACIVSA-N 0 1 285.362 3.824 20 0 CHADMN CCCCOCCN1CCc2cc(F)ccc2[C@H]1C ZINC000606540577 1127766125 /nfs/dbraw/zinc/76/61/25/1127766125.db2.gz VGTCHKJTHZPLAX-CYBMUJFWSA-N 0 1 265.372 3.562 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cn2cccnc2=S)CC1 ZINC000172508924 1127767407 /nfs/dbraw/zinc/76/74/07/1127767407.db2.gz LTPDOQSTYFHHOE-CYBMUJFWSA-N 0 1 279.453 3.718 20 0 CHADMN Cc1ccoc1CN(C)C[C@@H]1CCC2(CCCCC2)O1 ZINC000409446632 1127768040 /nfs/dbraw/zinc/76/80/40/1127768040.db2.gz MSXHXCWODXFHEW-HNNXBMFYSA-N 0 1 277.408 3.902 20 0 CHADMN COc1c(C)cnc(CN2C[C@H](C)[C@H]2c2ccccc2)c1C ZINC000409447100 1127768368 /nfs/dbraw/zinc/76/83/68/1127768368.db2.gz QLIMMZWGLFYSQH-KSSFIOAISA-N 0 1 296.414 3.900 20 0 CHADMN CN(Cc1ccc(Cl)s1)C[C@@H]1CCC(C)(C)O1 ZINC000409444975 1127769879 /nfs/dbraw/zinc/76/98/79/1127769879.db2.gz IHBKFSJPVXUPKS-JTQLQIEISA-N 0 1 273.829 3.791 20 0 CHADMN CC[C@@H]1CCCCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000606872926 1127779893 /nfs/dbraw/zinc/77/98/93/1127779893.db2.gz ZNYMHJCHORAJAM-OAHLLOKOSA-N 0 1 297.402 3.872 20 0 CHADMN CC[C@H]1CCCCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000606872923 1127779961 /nfs/dbraw/zinc/77/99/61/1127779961.db2.gz ZNYMHJCHORAJAM-HNNXBMFYSA-N 0 1 297.402 3.872 20 0 CHADMN CCOCCCSc1nc2ccc(Cl)cc2[nH]1 ZINC000607436265 1127805612 /nfs/dbraw/zinc/80/56/12/1127805612.db2.gz WRYOSNHFPGOKQB-UHFFFAOYSA-N 0 1 270.785 3.735 20 0 CHADMN S=c1[nH]ccn1C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000173312327 1127818733 /nfs/dbraw/zinc/81/87/33/1127818733.db2.gz BHMIKXUOINCVFD-ZDUSSCGKSA-N 0 1 265.426 3.548 20 0 CHADMN COc1ncc(CN2C[C@H](C)CC(C)(C)C2)cc1Cl ZINC001168423439 1127815554 /nfs/dbraw/zinc/81/55/54/1127815554.db2.gz KIYWAIXXPDCMKK-LLVKDONJSA-N 0 1 282.815 3.612 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1CCC[C@H](C)[C@H]1C ZINC000607741100 1127822701 /nfs/dbraw/zinc/82/27/01/1127822701.db2.gz RIQJPSLJBMETLW-WCQYABFASA-N 0 1 294.826 3.707 20 0 CHADMN Cc1ccc(CCN2CCO[C@H](c3ccccc3C)C2)cc1 ZINC000607745713 1127823166 /nfs/dbraw/zinc/82/31/66/1127823166.db2.gz ZZZYFCOVNWUGFS-FQEVSTJZSA-N 0 1 295.426 3.919 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1cccc(F)c1 ZINC000607748052 1127824504 /nfs/dbraw/zinc/82/45/04/1127824504.db2.gz JBMVXIWBEUKWFL-ZDUSSCGKSA-N 0 1 255.336 3.773 20 0 CHADMN CCN(CCCCCCCO)Cc1c(F)cccc1F ZINC000173614141 1127841049 /nfs/dbraw/zinc/84/10/49/1127841049.db2.gz OHVLNUZXBPDABY-UHFFFAOYSA-N 0 1 285.378 3.730 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccnc(Cl)c2)cc1 ZINC000063517273 1127841410 /nfs/dbraw/zinc/84/14/10/1127841410.db2.gz BZJVHOSBDPBRAG-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN Cc1ccc2ncc(C[N@@H+](C)C[C@@H]3CCCCO3)cc2c1 ZINC000411194279 1127845853 /nfs/dbraw/zinc/84/58/53/1127845853.db2.gz UHRIPRVDQGCLEL-KRWDZBQOSA-N 0 1 284.403 3.544 20 0 CHADMN CC[C@@H](NCc1cccc(F)c1F)c1ccncc1 ZINC000608058410 1127846440 /nfs/dbraw/zinc/84/64/40/1127846440.db2.gz PJHPJLCEONJEFA-CQSZACIVSA-N 0 1 262.303 3.601 20 0 CHADMN CC[C@H](C)C[C@H](C)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000608144999 1127851597 /nfs/dbraw/zinc/85/15/97/1127851597.db2.gz GKFQNMUJGNRNTN-KBPBESRZSA-N 0 1 294.439 3.676 20 0 CHADMN CC(C)c1cc(C(=O)N2CCC(C3CCCC3)CC2)n[nH]1 ZINC000608170526 1127852582 /nfs/dbraw/zinc/85/25/82/1127852582.db2.gz CTUALOXWVUTRPE-UHFFFAOYSA-N 0 1 289.423 3.576 20 0 CHADMN CCc1ccc(CN[C@@H](c2ccc(OC)cc2)C2CC2)nc1 ZINC000411491070 1127861270 /nfs/dbraw/zinc/86/12/70/1127861270.db2.gz PMADBVUNZQUNQA-LJQANCHMSA-N 0 1 296.414 3.894 20 0 CHADMN CC(C)COC[C@H](NC[C@@H]1CCC(C)(C)O1)c1ccco1 ZINC000411509463 1127863104 /nfs/dbraw/zinc/86/31/04/1127863104.db2.gz DBGRWYAWMNCEIZ-GJZGRUSLSA-N 0 1 295.423 3.541 20 0 CHADMN Cc1cnc(C[N@H+](CCc2ccc(F)cc2)CC(C)C)o1 ZINC000608493776 1127869701 /nfs/dbraw/zinc/86/97/01/1127869701.db2.gz ZCUYGKAVDOMXKP-UHFFFAOYSA-N 0 1 290.382 3.823 20 0 CHADMN CC(C)[C@@H](C)[N@@H+](Cc1ccncc1Cl)C1CC1 ZINC000608493514 1127869827 /nfs/dbraw/zinc/86/98/27/1127869827.db2.gz IBXCALOTRFDDNR-LLVKDONJSA-N 0 1 252.789 3.744 20 0 CHADMN Fc1cccc(-n2ccc(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)n2)c1 ZINC000608499259 1127871426 /nfs/dbraw/zinc/87/14/26/1127871426.db2.gz UAUMUYVKOQGZPM-KSSFIOAISA-N 0 1 299.393 3.776 20 0 CHADMN Fc1cccc(-n2ccc(CN3CCC[C@@H]4CCC[C@@H]43)n2)c1 ZINC000608499259 1127871432 /nfs/dbraw/zinc/87/14/32/1127871432.db2.gz UAUMUYVKOQGZPM-KSSFIOAISA-N 0 1 299.393 3.776 20 0 CHADMN CCc1cnc(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)o1 ZINC000608499278 1127872300 /nfs/dbraw/zinc/87/23/00/1127872300.db2.gz ZLRGWTOZZXYGDL-WMLDXEAASA-N 0 1 284.403 3.863 20 0 CHADMN CCc1cnc(CN2CC[C@@H](c3ccccc3)[C@@H](C)C2)o1 ZINC000608499278 1127872304 /nfs/dbraw/zinc/87/23/04/1127872304.db2.gz ZLRGWTOZZXYGDL-WMLDXEAASA-N 0 1 284.403 3.863 20 0 CHADMN CC1(C)CN([C@@H]2C[C@H]2c2cccc(F)c2)[C@H]1[C@@H]1CCCO1 ZINC000411750890 1127873145 /nfs/dbraw/zinc/87/31/45/1127873145.db2.gz NEAGXPQIMYSXIC-YVSFHVDLSA-N 0 1 289.394 3.571 20 0 CHADMN CC[C@H]1CN(Cc2ccccc2OC(C)C)CCS1 ZINC000608510557 1127874014 /nfs/dbraw/zinc/87/40/14/1127874014.db2.gz LLLGMXFCOCPDAX-HNNXBMFYSA-N 0 1 279.449 3.801 20 0 CHADMN CC[C@@H](NCc1nccn1CC(F)(F)F)c1ccccc1 ZINC000411891210 1127877785 /nfs/dbraw/zinc/87/77/85/1127877785.db2.gz ZSGZVYDSAXURNF-CYBMUJFWSA-N 0 1 297.324 3.686 20 0 CHADMN Fc1ccc(CN2CCC(c3c[nH]cn3)CC2)c(Cl)c1 ZINC000374209689 1127879355 /nfs/dbraw/zinc/87/93/55/1127879355.db2.gz QZBLMVHTOGWSKJ-UHFFFAOYSA-N 0 1 293.773 3.582 20 0 CHADMN C[C@H](c1csnn1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411975686 1127882158 /nfs/dbraw/zinc/88/21/58/1127882158.db2.gz BYHUTEOVZGAATE-UKRRQHHQSA-N 0 1 299.443 3.869 20 0 CHADMN Cc1cnc(CN2C[C@H](c3ccccc3)C3(CCC3)C2)nc1 ZINC000411993851 1127884335 /nfs/dbraw/zinc/88/43/35/1127884335.db2.gz XZIHXWJTRVOMQY-QGZVFWFLSA-N 0 1 293.414 3.555 20 0 CHADMN c1coc(-c2cc(CN3CCC4(CCCC4)C3)no2)c1 ZINC000174276989 1127888639 /nfs/dbraw/zinc/88/86/39/1127888639.db2.gz XNYPSBANCFWJCX-UHFFFAOYSA-N 0 1 272.348 3.701 20 0 CHADMN CCN(Cc1occc1C)Cc1sc(C)nc1C ZINC000412023630 1127889493 /nfs/dbraw/zinc/88/94/93/1127889493.db2.gz CXDMXGMSJNORRD-UHFFFAOYSA-N 0 1 264.394 3.683 20 0 CHADMN CCN(Cc1occc1C)Cc1cc2ccccc2[nH]c1=O ZINC000412027624 1127891394 /nfs/dbraw/zinc/89/13/94/1127891394.db2.gz PYLXSHJAARVKBI-UHFFFAOYSA-N 0 1 296.370 3.864 20 0 CHADMN COC1([C@@H](C)NCc2csc(CCC(C)C)n2)CCC1 ZINC000412027767 1127891675 /nfs/dbraw/zinc/89/16/75/1127891675.db2.gz WIVYMPYPBVPMRV-CYBMUJFWSA-N 0 1 296.480 3.779 20 0 CHADMN O=C(CCCC1CCCCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000374444717 1127898216 /nfs/dbraw/zinc/89/82/16/1127898216.db2.gz UHUNQAWDKBICNK-OAHLLOKOSA-N 0 1 289.423 3.654 20 0 CHADMN Cc1oc([C@H](C)[N@H+]2CC[C@H](C)C(C)(C)C2)cc1C(=O)[O-] ZINC000517750629 1127906130 /nfs/dbraw/zinc/90/61/30/1127906130.db2.gz QHNSVNNSZWNRST-QWRGUYRKSA-N 0 1 279.380 3.715 20 0 CHADMN CC1=C(c2ccco2)CN(CCC(F)(F)F)CC1 ZINC000374527808 1127902917 /nfs/dbraw/zinc/90/29/17/1127902917.db2.gz CKFVZGJSZFKROA-UHFFFAOYSA-N 0 1 259.271 3.711 20 0 CHADMN CO[C@@H]1CCCN(Cc2csc(C3CCCC3)n2)CC1 ZINC000374676765 1127910049 /nfs/dbraw/zinc/91/00/49/1127910049.db2.gz HWPMZEIINMPREE-OAHLLOKOSA-N 0 1 294.464 3.802 20 0 CHADMN CO[C@@H]1CCCN([C@@H](C)c2c(F)cccc2F)CC1 ZINC000374692756 1127910398 /nfs/dbraw/zinc/91/03/98/1127910398.db2.gz IREGMQRYESSLER-NWDGAFQWSA-N 0 1 269.335 3.527 20 0 CHADMN CC(C)(C)C1=CCN(Cc2cnc3ccccn23)CC1 ZINC000535377869 1127914307 /nfs/dbraw/zinc/91/43/07/1127914307.db2.gz FFFNDIGPQHOLNX-UHFFFAOYSA-N 0 1 269.392 3.513 20 0 CHADMN CSCCN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000535571024 1127920028 /nfs/dbraw/zinc/92/00/28/1127920028.db2.gz VYVXZPBTHOUWEC-ZDUSSCGKSA-N 0 1 287.881 3.793 20 0 CHADMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N[C@H](C)c1ccsc1 ZINC000669828269 1127926657 /nfs/dbraw/zinc/92/66/57/1127926657.db2.gz ISMVXIGZOZJPMD-UMVBOHGHSA-N 0 1 294.464 3.578 20 0 CHADMN Cc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccsc1 ZINC000669828502 1127926806 /nfs/dbraw/zinc/92/68/06/1127926806.db2.gz OECWWWRSPPSQEW-STQMWFEESA-N 0 1 288.416 3.734 20 0 CHADMN Cc1ccc(CSc2nc(C3CC3)n[nH]2)c(C)c1 ZINC000412991121 1127935848 /nfs/dbraw/zinc/93/58/48/1127935848.db2.gz QDKDWUUMQBIRKE-UHFFFAOYSA-N 0 1 259.378 3.591 20 0 CHADMN Cc1ccc(CSc2n[nH]c(C3CC3)n2)c(C)c1 ZINC000412991121 1127935850 /nfs/dbraw/zinc/93/58/50/1127935850.db2.gz QDKDWUUMQBIRKE-UHFFFAOYSA-N 0 1 259.378 3.591 20 0 CHADMN Cc1cc(C)c(C(=O)Nc2cccc3c2CN(C2CC2)C3)o1 ZINC000375235926 1127935891 /nfs/dbraw/zinc/93/58/91/1127935891.db2.gz CZWAAAWKTFVKHM-UHFFFAOYSA-N 0 1 296.370 3.627 20 0 CHADMN COCc1cccc2sc(=NCc3ccccc3C)[nH]c21 ZINC000539606770 1127931828 /nfs/dbraw/zinc/93/18/28/1127931828.db2.gz PUQXNOBRKWRZQV-UHFFFAOYSA-N 0 1 298.411 3.785 20 0 CHADMN Cc1ccc2ncc(CSc3nc(C4CC4)n[nH]3)cc2c1 ZINC000412986756 1127934727 /nfs/dbraw/zinc/93/47/27/1127934727.db2.gz IKHLBIVZTPECTC-UHFFFAOYSA-N 0 1 296.399 3.831 20 0 CHADMN Cc1ccc2ncc(CSc3n[nH]c(C4CC4)n3)cc2c1 ZINC000412986756 1127934730 /nfs/dbraw/zinc/93/47/30/1127934730.db2.gz IKHLBIVZTPECTC-UHFFFAOYSA-N 0 1 296.399 3.831 20 0 CHADMN Cc1nc([C@@H](C)Sc2ccccc2Br)n[nH]1 ZINC000412984695 1127934864 /nfs/dbraw/zinc/93/48/64/1127934864.db2.gz CXUDOKCZKVSZQQ-SSDOTTSWSA-N 0 1 298.209 3.729 20 0 CHADMN Cc1nc([C@@H](C)Sc2ccc(F)c(Cl)c2)n[nH]1 ZINC000412984336 1127935037 /nfs/dbraw/zinc/93/50/37/1127935037.db2.gz BUWGKLVHUUHDJW-ZCFIWIBFSA-N 0 1 271.748 3.759 20 0 CHADMN Cc1nc([C@H](C)SCCCc2ccccc2)n[nH]1 ZINC000412998143 1127937377 /nfs/dbraw/zinc/93/73/77/1127937377.db2.gz XCZVOOIWEDHVHH-NSHDSACASA-N 0 1 261.394 3.540 20 0 CHADMN C[C@@H]1CCC[C@H](C)CN1Cc1ccc(Br)cn1 ZINC000539824501 1127941169 /nfs/dbraw/zinc/94/11/69/1127941169.db2.gz AJNAQXYVDAQYIT-NWDGAFQWSA-N 0 1 297.240 3.855 20 0 CHADMN CCn1c2ccccc2nc1CN1CC[C@@H](C)[C@H](C)C1 ZINC000539829228 1127945126 /nfs/dbraw/zinc/94/51/26/1127945126.db2.gz LLXXGIAWTYEYHT-ZIAGYGMSSA-N 0 1 271.408 3.534 20 0 CHADMN CC(C)n1ccc(Nc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001203164633 1127949750 /nfs/dbraw/zinc/94/97/50/1127949750.db2.gz DDEZORHFHQEMNO-UHFFFAOYSA-N 0 1 298.434 3.564 20 0 CHADMN FC(F)(F)CN(Cc1ccc2nc[nH]c2c1)CC1CCC1 ZINC000539890939 1127951495 /nfs/dbraw/zinc/95/14/95/1127951495.db2.gz XBEFPNYRVKHHAE-UHFFFAOYSA-N 0 1 297.324 3.727 20 0 CHADMN CC(C)[C@@H](C)N(C)Cc1ccc(Cl)nc1Cl ZINC000232702503 1127953016 /nfs/dbraw/zinc/95/30/16/1127953016.db2.gz GPESNZPIWLJKCQ-SECBINFHSA-N 0 1 261.196 3.865 20 0 CHADMN COc1ccc(CN2[C@H](C)CC[C@H]2C)cc1Br ZINC000539908391 1127953387 /nfs/dbraw/zinc/95/33/87/1127953387.db2.gz UHKQVPDKMTXRSP-GHMZBOCLSA-N 0 1 298.224 3.831 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C[C@@H](C)CC(C)C)ccc12 ZINC000539905687 1127953482 /nfs/dbraw/zinc/95/34/82/1127953482.db2.gz VYGTVULBDTVNHF-NSHDSACASA-N 0 1 273.380 3.882 20 0 CHADMN C[C@@H](Cc1ccsc1)N1CCO[C@H](c2cccs2)C1 ZINC000544007220 1127954620 /nfs/dbraw/zinc/95/46/20/1127954620.db2.gz MCNPDLDLZJUNFG-JSGCOSHPSA-N 0 1 293.457 3.814 20 0 CHADMN C[C@H](OC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)c1ccc(F)cc1 ZINC000741016505 1127954876 /nfs/dbraw/zinc/95/48/76/1127954876.db2.gz IGSUSBNWJNHULX-CRWXNKLISA-N 0 1 293.382 3.691 20 0 CHADMN Cc1cc(CNCc2ccc(C3CCCC3)cc2)n(C)n1 ZINC000462901173 1127960395 /nfs/dbraw/zinc/96/03/95/1127960395.db2.gz TXPXNWNSOZOLNM-UHFFFAOYSA-N 0 1 283.419 3.676 20 0 CHADMN CCc1ccc([C@H](CO)N[C@H]2CCc3c2cccc3F)cc1 ZINC000540143180 1127962884 /nfs/dbraw/zinc/96/28/84/1127962884.db2.gz MUNKTIHOIGWMJB-OALUTQOASA-N 0 1 299.389 3.699 20 0 CHADMN CO[C@@H]1CN([C@H](C)c2cccc(Cl)c2F)CC[C@H]1C ZINC000467297850 1127963527 /nfs/dbraw/zinc/96/35/27/1127963527.db2.gz KPDMRCJXPONRRY-JTNHKYCSSA-N 0 1 285.790 3.897 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H]1CCc3c1cccc3F)CO2 ZINC000540158419 1127963989 /nfs/dbraw/zinc/96/39/89/1127963989.db2.gz VDXMYYBIXRMHNT-IRXDYDNUSA-N 0 1 283.346 3.845 20 0 CHADMN CC[C@H](N[C@@H](CO)c1cccc(F)c1)c1cccs1 ZINC000540184976 1127968082 /nfs/dbraw/zinc/96/80/82/1127968082.db2.gz XVTCPRNKIZVLIV-KBPBESRZSA-N 0 1 279.380 3.662 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)N1CCc2n[nH]cc2C1 ZINC000540244582 1127971270 /nfs/dbraw/zinc/97/12/70/1127971270.db2.gz ARWLJSZRIFYBQG-CYBMUJFWSA-N 0 1 283.419 3.827 20 0 CHADMN CC(C)CN1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000467546291 1127973956 /nfs/dbraw/zinc/97/39/56/1127973956.db2.gz MSPXMIRSDHXTCO-UHFFFAOYSA-N 0 1 260.356 3.711 20 0 CHADMN Fc1ccc(/C=C\CN2CCOC3(CCCC3)C2)c(F)c1 ZINC000544611194 1127978462 /nfs/dbraw/zinc/97/84/62/1127978462.db2.gz MNBFSBMMCWJRAW-ARJAWSKDSA-N 0 1 293.357 3.623 20 0 CHADMN CCCCN(C(=O)[C@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000467632308 1127976396 /nfs/dbraw/zinc/97/63/96/1127976396.db2.gz DUDMUWZKYXWESI-HNNXBMFYSA-N 0 1 297.402 3.663 20 0 CHADMN C[C@H](NCCc1ccc2ccccc2c1)c1ccon1 ZINC000544547264 1127976419 /nfs/dbraw/zinc/97/64/19/1127976419.db2.gz WJMXSGOSHSPMJQ-ZDUSSCGKSA-N 0 1 266.344 3.721 20 0 CHADMN C[C@@H](NC[C@H](C)C(F)(F)F)c1ccc(F)cc1F ZINC000540387036 1127976869 /nfs/dbraw/zinc/97/68/69/1127976869.db2.gz ZUWAUGNFFWQMPA-JGVFFNPUSA-N 0 1 267.241 3.814 20 0 CHADMN C[C@H](NC1CC(c2ccc(Cl)cc2)C1)c1ccon1 ZINC000544622032 1127979308 /nfs/dbraw/zinc/97/93/08/1127979308.db2.gz OPMVULVJQIGZMZ-JKDOVBDQSA-N 0 1 276.767 3.925 20 0 CHADMN C[C@H](c1cccc(Cl)c1)N1CCOCC2(CCC2)C1 ZINC000544761913 1127983525 /nfs/dbraw/zinc/98/35/25/1127983525.db2.gz XSFFIWJNHHSQSQ-CYBMUJFWSA-N 0 1 279.811 3.904 20 0 CHADMN Cc1cccc(N(C)Cc2ccc3nc[nH]c3c2)c1 ZINC000544927697 1127990422 /nfs/dbraw/zinc/99/04/22/1127990422.db2.gz NRYDNVDQYUKHHW-UHFFFAOYSA-N 0 1 251.333 3.508 20 0 CHADMN CC[C@@]1(C)CCN(CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000468119134 1127992879 /nfs/dbraw/zinc/99/28/79/1127992879.db2.gz GIWXLUSFSZKOBP-INIZCTEOSA-N 0 1 294.826 3.709 20 0 CHADMN C[C@H](Cc1ccccc1Br)[N@H+]1CCC[C@H]2C[C@H]21 ZINC001256847585 1127997301 /nfs/dbraw/zinc/99/73/01/1127997301.db2.gz NEPIDPXWZKMJGT-OSAQELSMSA-N 0 1 294.236 3.864 20 0 CHADMN C[C@H](O)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000540962209 1128002585 /nfs/dbraw/zinc/00/25/85/1128002585.db2.gz YHBIXVIXUFDTHP-JQWIXIFHSA-N 0 1 288.218 3.586 20 0 CHADMN CCOC(=O)[C@@H](CC(C)C)N1CCC[C@@H]1c1cccs1 ZINC000541065537 1128006533 /nfs/dbraw/zinc/00/65/33/1128006533.db2.gz OSQRQGNAUPJLLH-ZIAGYGMSSA-N 0 1 295.448 3.863 20 0 CHADMN Cc1cc(Cl)ccc1CN1CCSC[C@H]1C ZINC000468409371 1128006542 /nfs/dbraw/zinc/00/65/42/1128006542.db2.gz SZGFOZGKUQUBHL-LLVKDONJSA-N 0 1 255.814 3.586 20 0 CHADMN CO[C@H](C)CN([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000541069545 1128007015 /nfs/dbraw/zinc/00/70/15/1128007015.db2.gz DMDRGHIBIYGFFK-NEPJUHHUSA-N 0 1 267.800 3.900 20 0 CHADMN CCOC(=O)[C@H](CC(C)C)N1CCC[C@@H]1c1ccsc1 ZINC000541069503 1128007147 /nfs/dbraw/zinc/00/71/47/1128007147.db2.gz GLIDFFVCOWDDTM-CABCVRRESA-N 0 1 295.448 3.863 20 0 CHADMN C[C@H]1c2ccc(F)cc2CCN1CCC(=O)C(C)(C)C ZINC000753721357 1128008044 /nfs/dbraw/zinc/00/80/44/1128008044.db2.gz ACFRROXXYPZUKE-LBPRGKRZSA-N 0 1 277.383 3.750 20 0 CHADMN Cc1ccc(OC[C@H](C)NCc2ccncc2Cl)cc1 ZINC000088781239 1128009813 /nfs/dbraw/zinc/00/98/13/1128009813.db2.gz QHSYHOLNDSKTBH-ZDUSSCGKSA-N 0 1 290.794 3.601 20 0 CHADMN C[C@H]1CN([C@H]2CCc3ccc(Cl)cc32)CCS1 ZINC000541348121 1128019499 /nfs/dbraw/zinc/01/94/99/1128019499.db2.gz LMDVQSQEXMEZMA-HZMBPMFUSA-N 0 1 267.825 3.765 20 0 CHADMN COc1ccnc(CNC2(c3ccccc3)CCCC2)c1 ZINC000541328535 1128018054 /nfs/dbraw/zinc/01/80/54/1128018054.db2.gz HZBRGKCUSMZXFO-UHFFFAOYSA-N 0 1 282.387 3.649 20 0 CHADMN CCCC1(C(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)CCC1 ZINC000468923614 1128028208 /nfs/dbraw/zinc/02/82/08/1128028208.db2.gz LHAHVKKQNVUCHM-UHFFFAOYSA-N 0 1 298.390 3.689 20 0 CHADMN Cc1cccc(-c2nc(-c3cc4nc[nH]c4c(C)c3)no2)c1 ZINC000545727260 1128030985 /nfs/dbraw/zinc/03/09/85/1128030985.db2.gz NPYRXHAVRJIKGB-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000541619447 1128032020 /nfs/dbraw/zinc/03/20/20/1128032020.db2.gz UBMNFVMJEGAUFY-DJSGYFEHSA-N 0 1 297.389 3.755 20 0 CHADMN COc1ccsc1CN[C@H](C)c1ccsc1 ZINC000381615183 1128033232 /nfs/dbraw/zinc/03/32/32/1128033232.db2.gz UWQKSLCNFBTBFU-SECBINFHSA-N 0 1 253.392 3.669 20 0 CHADMN CCCCN[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000541686825 1128033765 /nfs/dbraw/zinc/03/37/65/1128033765.db2.gz KNZZTPOQZXQWTB-LBPRGKRZSA-N 0 1 273.380 3.750 20 0 CHADMN CCc1cccc(CN2CCC[C@@H]2c2cc(C)no2)c1 ZINC000469071104 1128034068 /nfs/dbraw/zinc/03/40/68/1128034068.db2.gz VTQAQUSLBIGWGA-MRXNPFEDSA-N 0 1 270.376 3.883 20 0 CHADMN CC(C)OC1CCN(C/C=C/c2ccc(F)cc2F)CC1 ZINC000541772650 1128038918 /nfs/dbraw/zinc/03/89/18/1128038918.db2.gz FAJGFAQYTCTJDL-ONEGZZNKSA-N 0 1 295.373 3.867 20 0 CHADMN CO[C@@H]1CCN(Cc2nc(C)c(C(C)(C)C)s2)[C@@H](C)C1 ZINC000930321962 1128049734 /nfs/dbraw/zinc/04/97/34/1128049734.db2.gz AVZHDWNRDCEULC-WCQYABFASA-N 0 1 296.480 3.748 20 0 CHADMN CCc1cc(C(=O)N2CCCCC[C@H]2c2ccccc2)n[nH]1 ZINC000302993200 1128047709 /nfs/dbraw/zinc/04/77/09/1128047709.db2.gz LPKLVLDPVOJWRD-KRWDZBQOSA-N 0 1 297.402 3.730 20 0 CHADMN COCC[N@@H+](Cc1ccc(C)o1)[C@H](C)Cc1ccsc1 ZINC000542152762 1128053828 /nfs/dbraw/zinc/05/38/28/1128053828.db2.gz QBHUAVNQHBTAOA-CYBMUJFWSA-N 0 1 293.432 3.729 20 0 CHADMN CCn1cnc(Cl)c1CN1CC[C@H]2CCCC[C@@H]2C1 ZINC001205082646 1128056781 /nfs/dbraw/zinc/05/67/81/1128056781.db2.gz OTBJUHGWYPBUQW-CHWSQXEVSA-N 0 1 281.831 3.569 20 0 CHADMN CCCc1nc(CN(C)C[C@@H]2CC=CCC2)cs1 ZINC000542251778 1128057669 /nfs/dbraw/zinc/05/76/69/1128057669.db2.gz BIKPTZBVSMFNPJ-CYBMUJFWSA-N 0 1 264.438 3.884 20 0 CHADMN CC(C)c1ccc([C@@H](C)N(C)C[C@@H](O)C(F)(F)F)cc1 ZINC000542256224 1128059663 /nfs/dbraw/zinc/05/96/63/1128059663.db2.gz UPJSATCLXZMLFB-BXUZGUMPSA-N 0 1 289.341 3.726 20 0 CHADMN CCOc1cccc(CN[C@@]2(C)CCCc3ccccc32)n1 ZINC000542257059 1128059846 /nfs/dbraw/zinc/05/98/46/1128059846.db2.gz FRAKGLXTNLETTF-IBGZPJMESA-N 0 1 296.414 3.822 20 0 CHADMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000542321000 1128063659 /nfs/dbraw/zinc/06/36/59/1128063659.db2.gz VHVGRNJRKOPQKJ-CQSZACIVSA-N 0 1 285.391 3.605 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000542321000 1128063664 /nfs/dbraw/zinc/06/36/64/1128063664.db2.gz VHVGRNJRKOPQKJ-CQSZACIVSA-N 0 1 285.391 3.605 20 0 CHADMN Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C(C)(C)C)C2)c(C)c1 ZINC000542321887 1128063837 /nfs/dbraw/zinc/06/38/37/1128063837.db2.gz QDNHJTHFXLWFKD-HNNXBMFYSA-N 0 1 288.435 3.610 20 0 CHADMN CC(C)CCO[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001205085262 1128068062 /nfs/dbraw/zinc/06/80/62/1128068062.db2.gz KFGCPXCTXSBLOD-INIZCTEOSA-N 0 1 281.827 3.977 20 0 CHADMN Cc1sccc1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000913666549 1128071497 /nfs/dbraw/zinc/07/14/97/1128071497.db2.gz CINWGHIVADODQL-UHFFFAOYSA-N 0 1 299.399 3.913 20 0 CHADMN CCOc1ccccc1CN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470945736 1128082568 /nfs/dbraw/zinc/08/25/68/1128082568.db2.gz JZPZSVXTDPNWIU-WCQYABFASA-N 0 1 287.325 3.858 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1OC ZINC000211378123 1128084010 /nfs/dbraw/zinc/08/40/10/1128084010.db2.gz QXMPCCSCBGRVCB-OAHLLOKOSA-N 0 1 291.391 3.548 20 0 CHADMN CCCCOCCN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000471078876 1128086721 /nfs/dbraw/zinc/08/67/21/1128086721.db2.gz MQCDTSDCMKQXHC-LJQANCHMSA-N 0 1 298.430 3.886 20 0 CHADMN CCC[C@]1(C)CCCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000173660170 1128092233 /nfs/dbraw/zinc/09/22/33/1128092233.db2.gz YLHHRMHMKVHCNO-MRXNPFEDSA-N 0 1 277.412 3.576 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(C(C)C)[nH]n1 ZINC000174025285 1128096300 /nfs/dbraw/zinc/09/63/00/1128096300.db2.gz MEKDBZKVVZZEKE-HNNXBMFYSA-N 0 1 299.418 3.626 20 0 CHADMN Cc1ccc2nc(S[C@H](C)C(F)(F)F)[nH]c2c1 ZINC000466982282 1128097720 /nfs/dbraw/zinc/09/77/20/1128097720.db2.gz DYARNRDHJZJJJW-SSDOTTSWSA-N 0 1 260.284 3.914 20 0 CHADMN Fc1ccc(CN[C@H]2CCc3c2nccc3Cl)cc1 ZINC000924524676 1128101268 /nfs/dbraw/zinc/10/12/68/1128101268.db2.gz IJKQWZFLVYMRCA-AWEZNQCLSA-N 0 1 276.742 3.651 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccn1)c1ccc(C(C)(C)O)cc1 ZINC000924544225 1128103662 /nfs/dbraw/zinc/10/36/62/1128103662.db2.gz VBTCIOKMGHBPDY-KGLIPLIRSA-N 0 1 284.403 3.721 20 0 CHADMN C[C@H](NCc1cccs1)c1ccnn1CC1CCC1 ZINC000924556397 1128104807 /nfs/dbraw/zinc/10/48/07/1128104807.db2.gz DRHVUMOCGAHYPX-LBPRGKRZSA-N 0 1 275.421 3.596 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1cn(C)cn1 ZINC000924571964 1128105597 /nfs/dbraw/zinc/10/55/97/1128105597.db2.gz JRYUKEUGCHJVTM-UONOGXRCSA-N 0 1 283.419 3.711 20 0 CHADMN COCc1ccccc1CN[C@@H](C)c1cnn(C2CCC2)c1 ZINC000924601220 1128107213 /nfs/dbraw/zinc/10/72/13/1128107213.db2.gz PUJBNJDTQQUHJR-AWEZNQCLSA-N 0 1 299.418 3.605 20 0 CHADMN C[C@H](NCC(C)(C)c1ccc(Cl)cc1)c1ncco1 ZINC000924730255 1128111437 /nfs/dbraw/zinc/11/14/37/1128111437.db2.gz MTXCYROLELGFBH-NSHDSACASA-N 0 1 278.783 3.956 20 0 CHADMN COC1(OC)CC[C@H]1N[C@H](C)c1oc2ccccc2c1C ZINC000924771964 1128112228 /nfs/dbraw/zinc/11/22/28/1128112228.db2.gz DLPKXYFLXIGPAS-IUODEOHRSA-N 0 1 289.375 3.543 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnnc1)c1ccc(F)c(Cl)c1 ZINC000924771186 1128112250 /nfs/dbraw/zinc/11/22/50/1128112250.db2.gz UTIOVSBOOIGFLF-ZJUUUORDSA-N 0 1 279.746 3.681 20 0 CHADMN COc1ccnc([C@@H](C)N[C@@H]2CCc3cc(C)ccc32)c1 ZINC000924842194 1128114559 /nfs/dbraw/zinc/11/45/59/1128114559.db2.gz FXAALVQBKYJJOD-CXAGYDPISA-N 0 1 282.387 3.737 20 0 CHADMN C[C@@H](N[C@@H]1CCc2c1cccc2F)c1cccc2c1OCO2 ZINC000924844578 1128114874 /nfs/dbraw/zinc/11/48/74/1128114874.db2.gz VUFQMNWDLXMMMP-BDJLRTHQSA-N 0 1 299.345 3.893 20 0 CHADMN CCC[C@H](NCc1cc(CC)[nH]n1)c1ncccc1Cl ZINC000925061347 1128120130 /nfs/dbraw/zinc/12/01/30/1128120130.db2.gz IUJOTHOWAGGQIA-AWEZNQCLSA-N 0 1 292.814 3.652 20 0 CHADMN CC[C@H](N[C@H](C)c1cccc2c1OCO2)c1ccncc1 ZINC000925129484 1128123051 /nfs/dbraw/zinc/12/30/51/1128123051.db2.gz IXOYKCZKXCAILE-DOMZBBRYSA-N 0 1 284.359 3.612 20 0 CHADMN Cc1cccc(F)c1CN[C@H](C)c1cnn(C2CCC2)c1 ZINC000925163417 1128124490 /nfs/dbraw/zinc/12/44/90/1128124490.db2.gz CQFPAFIACBSEAL-CYBMUJFWSA-N 0 1 287.382 3.906 20 0 CHADMN C[C@H](NCCC(F)(F)F)c1cc(-c2ccccc2)no1 ZINC000925241926 1128126092 /nfs/dbraw/zinc/12/60/92/1128126092.db2.gz XEEJZXMGDHNHAK-JTQLQIEISA-N 0 1 284.281 3.945 20 0 CHADMN Cc1ccc([C@H](C)NCc2nc3c(s2)CCC3)s1 ZINC000093065098 1128127273 /nfs/dbraw/zinc/12/72/73/1128127273.db2.gz DPTCWRUNSILYOT-JTQLQIEISA-N 0 1 278.446 3.853 20 0 CHADMN Cc1oc2ccccc2c1[C@H](C)N[C@H](C)c1cn[nH]c1 ZINC000925635922 1128135154 /nfs/dbraw/zinc/13/51/54/1128135154.db2.gz VBDXICFXBIXUPP-MNOVXSKESA-N 0 1 269.348 3.876 20 0 CHADMN CC[C@H](N[C@@H](c1cccnc1)C1CC1)c1cccc(OC)n1 ZINC000925644778 1128135715 /nfs/dbraw/zinc/13/57/15/1128135715.db2.gz NWZZHMOKSOHLSC-MAUKXSAKSA-N 0 1 297.402 3.677 20 0 CHADMN C[C@@H](N[C@@H](c1cccnc1)C1CC1)c1cc(O)cc(F)c1 ZINC000925646298 1128135880 /nfs/dbraw/zinc/13/58/80/1128135880.db2.gz SIGKHHBVMQBIMH-PIGZYNQJSA-N 0 1 286.350 3.728 20 0 CHADMN COC[C@@H](N[C@H](C)c1ccnn1C1CCC1)c1ccccc1 ZINC000925406211 1128143263 /nfs/dbraw/zinc/14/32/63/1128143263.db2.gz CMDBGWVDZUIFMJ-RHSMWYFYSA-N 0 1 299.418 3.646 20 0 CHADMN COc1ccc(Cl)c(CN2CCS[C@@H](C)CC2)c1 ZINC000494091079 1128155108 /nfs/dbraw/zinc/15/51/08/1128155108.db2.gz WUNDCUSDGJWEHL-NSHDSACASA-N 0 1 285.840 3.676 20 0 CHADMN C[C@H]1CCN(Cc2ccc(F)cc2Cl)CCS1 ZINC000494056542 1128155268 /nfs/dbraw/zinc/15/52/68/1128155268.db2.gz ABNZKONYSCGOML-JTQLQIEISA-N 0 1 273.804 3.807 20 0 CHADMN COc1cc(C)nc(CN[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000214051068 1128159184 /nfs/dbraw/zinc/15/91/84/1128159184.db2.gz OEPSQAHHDSEBGL-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN FC(F)(CN[C@H](C1CC1)[C@@H]1CCCOC1)c1ccccc1 ZINC000926260036 1128163736 /nfs/dbraw/zinc/16/37/36/1128163736.db2.gz QIRPDSANFHQFJH-GDBMZVCRSA-N 0 1 295.373 3.573 20 0 CHADMN Cc1cscc1CN[C@H](C)c1cnn(C2CCC2)c1 ZINC000926300874 1128165722 /nfs/dbraw/zinc/16/57/22/1128165722.db2.gz DOXNASPMLWTPDI-GFCCVEGCSA-N 0 1 275.421 3.829 20 0 CHADMN C[C@H](NCc1ncc(C2CC2)o1)C1CCC(F)(F)CC1 ZINC000653871278 1128166944 /nfs/dbraw/zinc/16/69/44/1128166944.db2.gz CSXWUGZNPWJIQF-JTQLQIEISA-N 0 1 284.350 3.856 20 0 CHADMN Cc1nonc1[C@@H](C)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000926343264 1128168040 /nfs/dbraw/zinc/16/80/40/1128168040.db2.gz PJIJNEMYOQMQDL-GAJTVXKRSA-N 0 1 291.782 3.628 20 0 CHADMN COc1cccc([C@H](C)N[C@@H](C)c2cncc(F)c2)c1 ZINC000222236162 1128168185 /nfs/dbraw/zinc/16/81/85/1128168185.db2.gz OVJZYBPTUGONNS-RYUDHWBXSA-N 0 1 274.339 3.641 20 0 CHADMN Cc1nc2ccc(CN[C@H](C)c3ccccn3)cc2s1 ZINC000494323495 1128169643 /nfs/dbraw/zinc/16/96/43/1128169643.db2.gz SXTVTDUMGQZUGU-LLVKDONJSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1cccc2nc(CNC(=O)C(C)(C)C(C)(C)C)[nH]c21 ZINC000494429082 1128173105 /nfs/dbraw/zinc/17/31/05/1128173105.db2.gz HIGWSAGRKZPNRR-UHFFFAOYSA-N 0 1 287.407 3.560 20 0 CHADMN COc1ccnc([C@@H](C)Nc2cc3c(cn2)CCCC3)c1 ZINC000926465759 1128173188 /nfs/dbraw/zinc/17/31/88/1128173188.db2.gz AXXPZTUFHQSPCH-GFCCVEGCSA-N 0 1 283.375 3.537 20 0 CHADMN Cc1cccc([C@@H](N[C@@H](C)CC(C)(C)O)c2ccccn2)c1 ZINC000926512778 1128177856 /nfs/dbraw/zinc/17/78/56/1128177856.db2.gz ODABKRIWPALKIW-MAUKXSAKSA-N 0 1 298.430 3.619 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2ccnn2CC2CCC2)cn1 ZINC000926549229 1128179717 /nfs/dbraw/zinc/17/97/17/1128179717.db2.gz GJHZNWVTDHGIRH-HNNXBMFYSA-N 0 1 298.434 3.546 20 0 CHADMN C[C@]1(c2ccccc2)CN(Cc2ccc(CF)cc2)CCO1 ZINC000777600814 1128180573 /nfs/dbraw/zinc/18/05/73/1128180573.db2.gz REDKPOFPDRKKAI-LJQANCHMSA-N 0 1 299.389 3.904 20 0 CHADMN F[C@@H]1CCCC[C@H]1N[C@@H]1CCc2c1nccc2Cl ZINC000926588556 1128182484 /nfs/dbraw/zinc/18/24/84/1128182484.db2.gz ZXRGQWMRILOPDG-JHJVBQTASA-N 0 1 268.763 3.593 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)NC3CCCC3)n2)cc1 ZINC000544518394 1128184287 /nfs/dbraw/zinc/18/42/87/1128184287.db2.gz XIKBSJFGLSHTIN-LBPRGKRZSA-N 0 1 285.391 3.892 20 0 CHADMN C[C@@H](NC1(c2ccccc2Cl)CC1)c1cc[nH]c(=O)c1 ZINC000926629162 1128184722 /nfs/dbraw/zinc/18/47/22/1128184722.db2.gz YWHCJIVJWDOVRX-LLVKDONJSA-N 0 1 288.778 3.781 20 0 CHADMN Cc1cccc([C@@H](N[C@H]2C=CCC2)c2ccccn2)c1 ZINC000926689853 1128187976 /nfs/dbraw/zinc/18/79/76/1128187976.db2.gz MAXPBYQLCCJJBK-FUHWJXTLSA-N 0 1 264.372 3.788 20 0 CHADMN C[C@H]1CC[C@H](N[C@@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000542495386 1128188433 /nfs/dbraw/zinc/18/84/33/1128188433.db2.gz VDKOQEGINMYMDF-OWQGQXMQSA-N 0 1 299.393 3.873 20 0 CHADMN CCC[C@H](N[C@@H]1COC2(CCC2)C1)c1ncccc1Cl ZINC000926695845 1128188616 /nfs/dbraw/zinc/18/86/16/1128188616.db2.gz DQZGKSOPFPYCIN-JSGCOSHPSA-N 0 1 294.826 3.877 20 0 CHADMN CC(C)n1cc(CNCc2ccccc2C(F)(F)F)cn1 ZINC000226243114 1128191864 /nfs/dbraw/zinc/19/18/64/1128191864.db2.gz ZPHFPIGLFMZHKU-UHFFFAOYSA-N 0 1 297.324 3.773 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](C)c2ccnn2C2CCC2)s1 ZINC000926788053 1128194607 /nfs/dbraw/zinc/19/46/07/1128194607.db2.gz YWQKMMRBZZTDSD-WDEREUQCSA-N 0 1 290.436 3.785 20 0 CHADMN CC[C@H](Nc1ccc(CN(C)C)c(F)c1)C1CCOCC1 ZINC000777700773 1128247587 /nfs/dbraw/zinc/24/75/87/1128247587.db2.gz IPKNWNDLHFQUEH-KRWDZBQOSA-N 0 1 294.414 3.504 20 0 CHADMN C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(CF)cc1 ZINC000777714658 1128253554 /nfs/dbraw/zinc/25/35/54/1128253554.db2.gz YJDCHUMGBZDJGM-CYBMUJFWSA-N 0 1 258.340 3.744 20 0 CHADMN C[C@H](c1cccnc1)N(C)Cc1ccc(CF)cc1 ZINC000777714658 1128253555 /nfs/dbraw/zinc/25/35/55/1128253555.db2.gz YJDCHUMGBZDJGM-CYBMUJFWSA-N 0 1 258.340 3.744 20 0 CHADMN CC[C@H]1COC[C@@H]1NCc1c(Cl)cccc1Cl ZINC000699481710 1128254415 /nfs/dbraw/zinc/25/44/15/1128254415.db2.gz GOFIHRZIHOGALW-ZANVPECISA-N 0 1 274.191 3.508 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2cc3c(cc2Cl)OCO3)C1 ZINC001138245237 1128257420 /nfs/dbraw/zinc/25/74/20/1128257420.db2.gz VFHIRFJNKXALAQ-PHIMTYICSA-N 0 1 281.783 3.547 20 0 CHADMN FC(F)(F)c1ccc(OC2CN(C3CCCC3)C2)cc1 ZINC001257354841 1128258107 /nfs/dbraw/zinc/25/81/07/1128258107.db2.gz NRCVXWNQWGUERN-UHFFFAOYSA-N 0 1 285.309 3.711 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N(C)Cc1ccc(F)cc1 ZINC000929136576 1128260444 /nfs/dbraw/zinc/26/04/44/1128260444.db2.gz OSCRTOREPHZFME-NSHDSACASA-N 0 1 262.303 3.553 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cnn(CCF)c1 ZINC000929170815 1128261976 /nfs/dbraw/zinc/26/19/76/1128261976.db2.gz CSPQSONHDDIIKR-LBPRGKRZSA-N 0 1 295.789 3.699 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1cnn(CCF)c1 ZINC000929170815 1128261979 /nfs/dbraw/zinc/26/19/79/1128261979.db2.gz CSPQSONHDDIIKR-LBPRGKRZSA-N 0 1 295.789 3.699 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cccc3cccc1c32)c1cn(C)cn1 ZINC000926879842 1128199829 /nfs/dbraw/zinc/19/98/29/1128199829.db2.gz MADGVIWHAZSKRX-CXAGYDPISA-N 0 1 291.398 3.911 20 0 CHADMN c1cnc([C@H](NC2CC3(C2)CCCCC3)C2CC2)nc1 ZINC000926894239 1128200412 /nfs/dbraw/zinc/20/04/12/1128200412.db2.gz LZWXXPXIIBEJCT-OAHLLOKOSA-N 0 1 271.408 3.630 20 0 CHADMN C[C@H](c1cccnc1)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653906237 1128200454 /nfs/dbraw/zinc/20/04/54/1128200454.db2.gz QNCLLNASQCEOEP-HUUCEWRRSA-N 0 1 274.408 3.566 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccc2c(c1)C[C@H](C)O2 ZINC000926917480 1128202783 /nfs/dbraw/zinc/20/27/83/1128202783.db2.gz BFGLTVMSPJCHOI-UONOGXRCSA-N 0 1 296.414 3.818 20 0 CHADMN CCc1ccc2ccccc2c1CN[C@@H](C)c1ncc[nH]1 ZINC000926932841 1128203664 /nfs/dbraw/zinc/20/36/64/1128203664.db2.gz ORXSVKBTPNWZCR-ZDUSSCGKSA-N 0 1 279.387 3.976 20 0 CHADMN CCc1ccc2ccccc2c1CN[C@H]1CCn2ccnc21 ZINC000926939489 1128203668 /nfs/dbraw/zinc/20/36/68/1128203668.db2.gz VCZBGEJTJKAIPC-SFHVURJKSA-N 0 1 291.398 3.833 20 0 CHADMN Cc1cnc(CN[C@@H](C)c2ccc(C(F)F)nc2)c(C)c1 ZINC000926960276 1128205834 /nfs/dbraw/zinc/20/58/34/1128205834.db2.gz NYQCUTGHERIRJU-LBPRGKRZSA-N 0 1 291.345 3.882 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H]2CCCC3(CCC3)O2)cs1 ZINC000927013397 1128208306 /nfs/dbraw/zinc/20/83/06/1128208306.db2.gz WVVKDSJWAQTBQL-AAEUAGOBSA-N 0 1 280.437 3.594 20 0 CHADMN c1cnc2c(c1)CCC[C@@H]2N[C@H]1CCCc2ncccc21 ZINC000927061152 1128212205 /nfs/dbraw/zinc/21/22/05/1128212205.db2.gz BWWFCOXHJUAPAK-IRXDYDNUSA-N 0 1 279.387 3.521 20 0 CHADMN Cc1c([C@H](C)N[C@@H]2CCCc3cccnc32)cnn1C(C)C ZINC000927060693 1128212320 /nfs/dbraw/zinc/21/23/20/1128212320.db2.gz DUCRTLXIBNFDMS-SUMWQHHRSA-N 0 1 298.434 3.896 20 0 CHADMN c1cncc([C@@H](N[C@@H]2CCCc3cccnc32)C2CCC2)c1 ZINC000927061415 1128212623 /nfs/dbraw/zinc/21/26/23/1128212623.db2.gz NMQRRYWLIROKIM-MSOLQXFVSA-N 0 1 293.414 3.985 20 0 CHADMN COc1ccc([C@@H](C)N[C@H]2CCCc3cccnc32)cc1O ZINC000927063976 1128213206 /nfs/dbraw/zinc/21/32/06/1128213206.db2.gz MYFFYZYWXPDWDS-DOMZBBRYSA-N 0 1 298.386 3.524 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](c2cnn(C)c2)C(C)C)c(C)o1 ZINC000927066232 1128214281 /nfs/dbraw/zinc/21/42/81/1128214281.db2.gz AKACGPXMNDOYHJ-BLLLJJGKSA-N 0 1 275.396 3.678 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1ccncc1Cl)c1cnn(C)c1 ZINC000927067827 1128214794 /nfs/dbraw/zinc/21/47/94/1128214794.db2.gz HOMBIJSMWYRXGG-NHYWBVRUSA-N 0 1 292.814 3.516 20 0 CHADMN CCn1cccc1CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000494959023 1128216027 /nfs/dbraw/zinc/21/60/27/1128216027.db2.gz PTRNMLIOYOOUKX-ZDUSSCGKSA-N 0 1 260.356 3.840 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1cccc2c1OCC2 ZINC000927089569 1128216282 /nfs/dbraw/zinc/21/62/82/1128216282.db2.gz NPFIHLMDKYUMER-AWEZNQCLSA-N 0 1 297.398 3.789 20 0 CHADMN C[C@@H](NCc1cccc2c1OCC2)c1cc(F)cc(F)c1 ZINC000927090256 1128216670 /nfs/dbraw/zinc/21/66/70/1128216670.db2.gz USWYDNFGYZRZQH-LLVKDONJSA-N 0 1 289.325 3.751 20 0 CHADMN CC(C)C[C@@H](NCc1cccc2c1OCC2)c1ccncc1 ZINC000927089831 1128216674 /nfs/dbraw/zinc/21/66/74/1128216674.db2.gz INMOLSVHYGZSEV-GOSISDBHSA-N 0 1 296.414 3.894 20 0 CHADMN CC(C)C[C@H](NCc1cccc2c1OCC2)c1ccncc1 ZINC000927089835 1128216906 /nfs/dbraw/zinc/21/69/06/1128216906.db2.gz INMOLSVHYGZSEV-SFHVURJKSA-N 0 1 296.414 3.894 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1NCc1cc(C2CC2)n(C)n1 ZINC000927111415 1128218059 /nfs/dbraw/zinc/21/80/59/1128218059.db2.gz BVFLYNCXRLAEKK-BFUOFWGJSA-N 0 1 295.430 3.711 20 0 CHADMN Cc1cc2c(c(C)c1)[C@@H](NCc1cc(C3CC3)n(C)n1)CC2 ZINC000927109358 1128218340 /nfs/dbraw/zinc/21/83/40/1128218340.db2.gz XDIZEKTXSLXSRN-KRWDZBQOSA-N 0 1 295.430 3.691 20 0 CHADMN CC(C)[C@H](NCc1cc(C2CC2)n(C)n1)c1ccccc1 ZINC000927113105 1128218470 /nfs/dbraw/zinc/21/84/70/1128218470.db2.gz WNAQLTHZPSZQOJ-SFHVURJKSA-N 0 1 283.419 3.784 20 0 CHADMN CCCc1noc(CN[C@@H](C)[C@H](C)C2CCCCC2)n1 ZINC000542530580 1128220334 /nfs/dbraw/zinc/22/03/34/1128220334.db2.gz FSYPEODVSDNPHC-STQMWFEESA-N 0 1 279.428 3.717 20 0 CHADMN CC(C)[C@H]1CN(Cc2cc(Cl)cs2)CCS1 ZINC000494992729 1128221700 /nfs/dbraw/zinc/22/17/00/1128221700.db2.gz FMCFEJWSICNASJ-GFCCVEGCSA-N 0 1 275.870 3.975 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2c3ccccc3CC[C@H]2O)oc1C ZINC000927140584 1128222241 /nfs/dbraw/zinc/22/22/41/1128222241.db2.gz SKYVCEBCFXGMDJ-XZOAIXRZSA-N 0 1 285.387 3.595 20 0 CHADMN CSc1ccc(F)c(O[C@@H]2CCN(C(C)C)C2)c1F ZINC001234935060 1128267205 /nfs/dbraw/zinc/26/72/05/1128267205.db2.gz MQRADIATXUZCFK-SNVBAGLBSA-N 0 1 287.375 3.548 20 0 CHADMN CN(CCC[C@@H]1CCO1)Cc1cccc(Cl)c1Cl ZINC000637853399 1128230502 /nfs/dbraw/zinc/23/05/02/1128230502.db2.gz UNGJXVWWGQAXNO-GFCCVEGCSA-N 0 1 288.218 3.994 20 0 CHADMN COc1ccncc1CN[C@H](CC1CC1)c1ccccc1 ZINC000559870806 1128238261 /nfs/dbraw/zinc/23/82/61/1128238261.db2.gz JGPSOYCEVHIGPJ-QGZVFWFLSA-N 0 1 282.387 3.721 20 0 CHADMN CC(C)[N@H+](Cc1ccco1)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000929367496 1128272000 /nfs/dbraw/zinc/27/20/00/1128272000.db2.gz NTYVCLJYIHPNFO-CHWSQXEVSA-N 0 1 291.313 3.600 20 0 CHADMN CC(C)c1cn(CN2CC3(CCC3)C[C@H]2C)c(=S)n1C ZINC000762135985 1128272304 /nfs/dbraw/zinc/27/23/04/1128272304.db2.gz BUUOSKZUIIAFLS-CYBMUJFWSA-N 0 1 293.480 3.901 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CCC(OC2CCCC2)CC1 ZINC000929428064 1128273790 /nfs/dbraw/zinc/27/37/90/1128273790.db2.gz BUJRQRIBLHOYRU-CYBMUJFWSA-N 0 1 292.398 3.705 20 0 CHADMN Cc1ncsc1CN(C)Cc1ccccc1CF ZINC000929610550 1128279565 /nfs/dbraw/zinc/27/95/65/1128279565.db2.gz UAVZXMXXTPOFHU-UHFFFAOYSA-N 0 1 264.369 3.553 20 0 CHADMN Cc1nnsc1[C@H](C)N(C)CCc1ccc(Cl)cc1 ZINC000929639740 1128280707 /nfs/dbraw/zinc/28/07/07/1128280707.db2.gz GEUKQGSEIFWSJF-NSHDSACASA-N 0 1 295.839 3.735 20 0 CHADMN Fc1cccc([C@H]2CCN2CCSc2ccncc2)c1 ZINC000929786795 1128287654 /nfs/dbraw/zinc/28/76/54/1128287654.db2.gz KDPGURDXAGMZGK-MRXNPFEDSA-N 0 1 288.391 3.760 20 0 CHADMN Cc1cn(C)nc1CN(Cc1ccccc1)C(C)(C)C ZINC000929834527 1128289498 /nfs/dbraw/zinc/28/94/98/1128289498.db2.gz NVDXYIXEDCBOBU-UHFFFAOYSA-N 0 1 271.408 3.529 20 0 CHADMN Fc1cccc([C@@H]2CCN2CCSc2ccncc2)c1 ZINC000929786791 1128287124 /nfs/dbraw/zinc/28/71/24/1128287124.db2.gz KDPGURDXAGMZGK-INIZCTEOSA-N 0 1 288.391 3.760 20 0 CHADMN COc1cccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1C ZINC000929888405 1128292003 /nfs/dbraw/zinc/29/20/03/1128292003.db2.gz ZKSRELVDZQJZJP-MRXNPFEDSA-N 0 1 270.376 3.669 20 0 CHADMN CC(C)[C@H](C)N(C)Cn1ccn(C(C)C)c1=S ZINC000915208559 1128292283 /nfs/dbraw/zinc/29/22/83/1128292283.db2.gz GFAIWTNKRGVSNF-LBPRGKRZSA-N 0 1 255.431 3.534 20 0 CHADMN CN(CCCOc1ccccc1)Cc1ccc(Cl)nc1 ZINC000915218034 1128293042 /nfs/dbraw/zinc/29/30/42/1128293042.db2.gz KMANBDFUBJEIHL-UHFFFAOYSA-N 0 1 290.794 3.636 20 0 CHADMN Cc1nnsc1[C@@H](C)N1CC=C(C(C)(C)C)CC1 ZINC000930102916 1128300678 /nfs/dbraw/zinc/30/06/78/1128300678.db2.gz QLXLSLXLIDRIMJ-LLVKDONJSA-N 0 1 265.426 3.586 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CCC(c2ccccn2)CC1 ZINC000930084155 1128300805 /nfs/dbraw/zinc/30/08/05/1128300805.db2.gz VKXHPARAOITGLJ-ZDUSSCGKSA-N 0 1 285.366 3.556 20 0 CHADMN CC(F)(F)CCCN1CCc2cccc(F)c2C1 ZINC000930160233 1128303513 /nfs/dbraw/zinc/30/35/13/1128303513.db2.gz XJTBUWSYNCAPKY-UHFFFAOYSA-N 0 1 257.299 3.619 20 0 CHADMN CCC(CC)[C@H](NCc1nn(C)cc1C)c1ccccc1 ZINC000930204258 1128307421 /nfs/dbraw/zinc/30/74/21/1128307421.db2.gz NZIPACMRUWXVDU-SFHVURJKSA-N 0 1 285.435 3.996 20 0 CHADMN COC/C(C)=C\CN[C@H](C)c1ccc(F)cc1Cl ZINC000930220639 1128307974 /nfs/dbraw/zinc/30/79/74/1128307974.db2.gz DPSVMZBCDTYQGC-SDKXAQGSSA-N 0 1 271.763 3.722 20 0 CHADMN C[N@@H+](CCc1ccncc1)Cc1ccc(Cl)cc1F ZINC000171669391 1128310329 /nfs/dbraw/zinc/31/03/29/1128310329.db2.gz DXZRKLMECNTMQB-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN CN(CCc1ccncc1)Cc1ccc(Cl)cc1F ZINC000171669391 1128310333 /nfs/dbraw/zinc/31/03/33/1128310333.db2.gz DXZRKLMECNTMQB-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN CCC[C@H](NC(=O)c1oc(CN)cc1C)C1CCCCC1 ZINC000637977451 1128315454 /nfs/dbraw/zinc/31/54/54/1128315454.db2.gz BXPWUPMMAYCQHZ-HNNXBMFYSA-N 0 1 292.423 3.526 20 0 CHADMN CC(C)CCN(C)Cc1csc(-c2ccccn2)n1 ZINC000193568387 1128317167 /nfs/dbraw/zinc/31/71/67/1128317167.db2.gz LORWOJHIYAOCLA-UHFFFAOYSA-N 0 1 275.421 3.683 20 0 CHADMN COC/C(C)=C\CN1CC(C)(C)[C@@H]1c1cccs1 ZINC000930492474 1128321357 /nfs/dbraw/zinc/32/13/57/1128321357.db2.gz GPONYHAFYLGHGE-VDBIKXPHSA-N 0 1 265.422 3.724 20 0 CHADMN CC(C)(C)c1nc(CN2CCC[C@H](C3CC3)C2)co1 ZINC000930498337 1128322664 /nfs/dbraw/zinc/32/26/64/1128322664.db2.gz HGKUOPLPHDFICN-ZDUSSCGKSA-N 0 1 262.397 3.594 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)c2cccc(O)c2)c1 ZINC000237524085 1128322845 /nfs/dbraw/zinc/32/28/45/1128322845.db2.gz VMWUSECJBYMNOD-STQMWFEESA-N 0 1 298.386 3.762 20 0 CHADMN CCc1ccc([C@@H]2CCN([C@H](C)c3ncccn3)C2)cc1 ZINC000930565254 1128324951 /nfs/dbraw/zinc/32/49/51/1128324951.db2.gz UJFOJAIARDZVNZ-RHSMWYFYSA-N 0 1 281.403 3.590 20 0 CHADMN Cc1ccoc1CN(C)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000930555639 1128325581 /nfs/dbraw/zinc/32/55/81/1128325581.db2.gz WFZRIWRJUOCFNP-DGCLKSJQSA-N 0 1 291.313 3.520 20 0 CHADMN CC(C)O[C@H]1C[C@@H](NCc2coc(C(C)(C)C)n2)C1(C)C ZINC000930627107 1128328318 /nfs/dbraw/zinc/32/83/18/1128328318.db2.gz CKGQHJILZDEZFZ-KGLIPLIRSA-N 0 1 294.439 3.654 20 0 CHADMN CO[C@@H]1CCN(Cc2nc(C)c(C(C)(C)C)s2)C[C@@H]1C ZINC000930641954 1128328655 /nfs/dbraw/zinc/32/86/55/1128328655.db2.gz ZYRFQVLULJJDPL-WCQYABFASA-N 0 1 296.480 3.606 20 0 CHADMN Cc1cc(OC(C)C)ncc1CN1CCCC(F)(F)CC1 ZINC001235416663 1128330423 /nfs/dbraw/zinc/33/04/23/1128330423.db2.gz FMOPCLGWCVDAIJ-UHFFFAOYSA-N 0 1 298.377 3.798 20 0 CHADMN CC(C)c1ccccc1CN1CCC[C@@H]1c1ncccn1 ZINC000931055227 1128345502 /nfs/dbraw/zinc/34/55/02/1128345502.db2.gz UVEXBRJQJYMJOW-QGZVFWFLSA-N 0 1 281.403 3.937 20 0 CHADMN CCN(CC(=O)Nc1cccc(-c2ccccc2)c1)C1CC1 ZINC000561677456 1128346204 /nfs/dbraw/zinc/34/62/04/1128346204.db2.gz PAKDXWFGBHUGGL-UHFFFAOYSA-N 0 1 294.398 3.776 20 0 CHADMN CC1(C)CN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)[C@@H]1c1cccnc1 ZINC000931081807 1128346385 /nfs/dbraw/zinc/34/63/85/1128346385.db2.gz AZUXGOUYUSTDPG-FAAHXZRKSA-N 0 1 292.373 3.756 20 0 CHADMN CC(C)(C)[C@@H](O)CN1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000561784291 1128353160 /nfs/dbraw/zinc/35/31/60/1128353160.db2.gz JZJWZRICRNWSMC-HOCLYGCPSA-N 0 1 299.817 3.618 20 0 CHADMN Cc1cc(C)nc(CN[C@@H](C)c2ccc(F)cc2C)c1 ZINC000932562698 1128414409 /nfs/dbraw/zinc/41/44/09/1128414409.db2.gz SBUNEAOCWHZBRZ-AWEZNQCLSA-N 0 1 272.367 3.997 20 0 CHADMN CCOc1cc(CN(C)Cc2ccc(F)cc2)ccc1F ZINC001235792405 1128359439 /nfs/dbraw/zinc/35/94/39/1128359439.db2.gz ABCFKZJNBAAWAR-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccc(F)cc2C)nc1 ZINC000932560551 1128414640 /nfs/dbraw/zinc/41/46/40/1128414640.db2.gz ZWFSBKXAOARIBY-CYBMUJFWSA-N 0 1 272.367 3.942 20 0 CHADMN Cc1ccc(CN2CCC(c3ncco3)CC2)cc1F ZINC000931442571 1128361279 /nfs/dbraw/zinc/36/12/79/1128361279.db2.gz AKTSKBCCPRWKLB-UHFFFAOYSA-N 0 1 274.339 3.502 20 0 CHADMN CC(C)c1ccc(CN2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000054345941 1128361499 /nfs/dbraw/zinc/36/14/99/1128361499.db2.gz XAZCUVDMXRKZPW-IRXDYDNUSA-N 0 1 259.393 3.563 20 0 CHADMN Cc1ccc(F)c(CN2CCC(c3ncco3)CC2)c1 ZINC000931444563 1128362346 /nfs/dbraw/zinc/36/23/46/1128362346.db2.gz CIUJIXWPFKRJBY-UHFFFAOYSA-N 0 1 274.339 3.502 20 0 CHADMN CCc1ccc(-c2noc(C[N@H+](CC)C(C)C)n2)cc1 ZINC000194086984 1128363506 /nfs/dbraw/zinc/36/35/06/1128363506.db2.gz MNDSHLCAZMPANW-UHFFFAOYSA-N 0 1 273.380 3.529 20 0 CHADMN CCc1ccc(-c2noc(CN(CC)C(C)C)n2)cc1 ZINC000194086984 1128363509 /nfs/dbraw/zinc/36/35/09/1128363509.db2.gz MNDSHLCAZMPANW-UHFFFAOYSA-N 0 1 273.380 3.529 20 0 CHADMN COc1nccc(CN2[C@@H](C)CCC[C@@H]2C)c1Cl ZINC001235830575 1128363953 /nfs/dbraw/zinc/36/39/53/1128363953.db2.gz PGKHBLODLCGISZ-QWRGUYRKSA-N 0 1 268.788 3.507 20 0 CHADMN Cc1nc(CN[C@]23CCC[C@H]2OCC3)sc1C(C)(C)C ZINC000931561919 1128369452 /nfs/dbraw/zinc/36/94/52/1128369452.db2.gz CFLBOSLQTBNXPA-WBMJQRKESA-N 0 1 294.464 3.550 20 0 CHADMN Cc1cncc([C@@H]2CCCN2Cc2cc(C)cc(C)n2)c1 ZINC000931567100 1128370147 /nfs/dbraw/zinc/37/01/47/1128370147.db2.gz NJFMJFPECXVAMG-SFHVURJKSA-N 0 1 281.403 3.739 20 0 CHADMN Cc1cc(CNCc2ccc(Oc3ccccc3)cc2)[nH]n1 ZINC001649025674 1128372677 /nfs/dbraw/zinc/37/26/77/1128372677.db2.gz VTGJDVWNTZXQCT-UHFFFAOYSA-N 0 1 293.370 3.800 20 0 CHADMN C(=C\c1ccccc1)\CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000562059186 1128374735 /nfs/dbraw/zinc/37/47/35/1128374735.db2.gz DHOUQQZLFOVHLW-MEAXQBBOSA-N 0 1 283.415 3.733 20 0 CHADMN Cc1ccccc1-c1nc(CNC[C@H](C)C(C)(C)C)no1 ZINC000670269281 1128381017 /nfs/dbraw/zinc/38/10/17/1128381017.db2.gz MOGSTVFBVVXIBS-ZDUSSCGKSA-N 0 1 287.407 3.817 20 0 CHADMN C[C@H](CC(=O)Nc1cc(Cl)c(O)cc1F)C(F)(F)F ZINC000627236236 1128386988 /nfs/dbraw/zinc/38/69/88/1128386988.db2.gz PWGQZCGGZQROFV-RXMQYKEDSA-N 0 1 299.651 3.712 20 0 CHADMN Clc1cc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)ccn1 ZINC000931934632 1128388499 /nfs/dbraw/zinc/38/84/99/1128388499.db2.gz XMVYTGCWGAQYLI-WBVHZDCISA-N 0 1 284.790 3.509 20 0 CHADMN CCCN(C(=O)c1cccc2[nH]c(C(F)F)nc21)C1CC1 ZINC000931953899 1128389721 /nfs/dbraw/zinc/38/97/21/1128389721.db2.gz IWUWCERUCSAMAP-UHFFFAOYSA-N 0 1 293.317 3.515 20 0 CHADMN C[C@]1(F)CCCN(Cc2ccnc3ccccc23)C1 ZINC000562663451 1128417099 /nfs/dbraw/zinc/41/70/99/1128417099.db2.gz WLHMPOWDWUQRBP-INIZCTEOSA-N 0 1 258.340 3.559 20 0 CHADMN Cn1nccc1[C@H]1CCCN1Cc1ccc(C(F)F)cc1 ZINC000932263541 1128402360 /nfs/dbraw/zinc/40/23/60/1128402360.db2.gz DZNRXSBEHCATOW-OAHLLOKOSA-N 0 1 291.345 3.695 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N1CCO[C@H](C)CC1 ZINC000932334110 1128404351 /nfs/dbraw/zinc/40/43/51/1128404351.db2.gz DLEXWSFARORGJV-NEPJUHHUSA-N 0 1 253.773 3.512 20 0 CHADMN Cc1ccc2nc(-c3ccc(Br)cn3)[nH]c2c1 ZINC000061863538 1128405518 /nfs/dbraw/zinc/40/55/18/1128405518.db2.gz KQLBVFNFSJVJQY-UHFFFAOYSA-N 0 1 288.148 3.696 20 0 CHADMN CC[C@H](CC(F)(F)F)NCc1nc(-c2ccccc2)c[nH]1 ZINC000562505632 1128406311 /nfs/dbraw/zinc/40/63/11/1128406311.db2.gz ZUKMTMMAPCJHMO-GFCCVEGCSA-N 0 1 297.324 3.897 20 0 CHADMN CCc1onc(C)c1CN[C@H](C)COCC1CCCCC1 ZINC000932423766 1128409309 /nfs/dbraw/zinc/40/93/09/1128409309.db2.gz VVTAPFPVLYQEQG-CYBMUJFWSA-N 0 1 294.439 3.620 20 0 CHADMN CCc1noc(C)c1CN[C@H](C)COCC1CCCCC1 ZINC000932424874 1128409375 /nfs/dbraw/zinc/40/93/75/1128409375.db2.gz OJEUTFMRUGSTCR-CYBMUJFWSA-N 0 1 294.439 3.620 20 0 CHADMN Cc1ccccc1[C@H]1CN(C[C@@H]2CCCC2(F)F)CCO1 ZINC000562697670 1128418073 /nfs/dbraw/zinc/41/80/73/1128418073.db2.gz LQBTXBWNZUWIFU-GOEBONIOSA-N 0 1 295.373 3.804 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cccc(O)c2)cc1F ZINC000037074652 1128410805 /nfs/dbraw/zinc/41/08/05/1128410805.db2.gz DXSSJKQOHYDEDT-VXGBXAGGSA-N 0 1 289.350 3.952 20 0 CHADMN OCc1ccc(CN2CC3(CCCC3)[C@@H]2c2ccccc2)o1 ZINC000562573951 1128411871 /nfs/dbraw/zinc/41/18/71/1128411871.db2.gz JVKSMHSDYTWTHK-SFHVURJKSA-N 0 1 297.398 3.889 20 0 CHADMN CCC(C)(CC)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000932736661 1128420192 /nfs/dbraw/zinc/42/01/92/1128420192.db2.gz HKYVHOVBVZKTTP-UHFFFAOYSA-N 0 1 292.423 3.574 20 0 CHADMN C[C@H]1C[C@H](C)C[NH+](Cc2cccc([O-])c2Cl)C1 ZINC000328333724 1128426605 /nfs/dbraw/zinc/42/66/05/1128426605.db2.gz JEWSEJNKZWKDAC-QWRGUYRKSA-N 0 1 253.773 3.524 20 0 CHADMN COc1ccc(Cl)cc1CNCc1cccc(C)c1 ZINC000037996079 1128437884 /nfs/dbraw/zinc/43/78/84/1128437884.db2.gz RMYIAWBAVYNGDC-UHFFFAOYSA-N 0 1 275.779 3.947 20 0 CHADMN CCCN(C)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000123596929 1128439917 /nfs/dbraw/zinc/43/99/17/1128439917.db2.gz CSSSCEUOKZVQDQ-UHFFFAOYSA-N 0 1 264.756 3.837 20 0 CHADMN CC(C)(C)c1nc(CNC[C@]2(C)CCCS2)cs1 ZINC000124696651 1128445465 /nfs/dbraw/zinc/44/54/65/1128445465.db2.gz HWSVFVRCOUODNK-AWEZNQCLSA-N 0 1 284.494 3.816 20 0 CHADMN CCCc1nc(CN[C@H]2CCOC23CCCCC3)cs1 ZINC000933876370 1128446645 /nfs/dbraw/zinc/44/66/45/1128446645.db2.gz JLXVVTIQIYABSF-AWEZNQCLSA-N 0 1 294.464 3.677 20 0 CHADMN CCC[C@@](C)(NCc1ccc(Cl)nn1)c1ccccc1 ZINC000934178994 1128452880 /nfs/dbraw/zinc/45/28/80/1128452880.db2.gz BGRBBFDBLRZWLB-MRXNPFEDSA-N 0 1 289.810 3.935 20 0 CHADMN CCC[C@@](C)(NCc1n[nH]cc1C)c1ccccc1 ZINC000934179639 1128453389 /nfs/dbraw/zinc/45/33/89/1128453389.db2.gz IPJKPHVTUHRRKR-MRXNPFEDSA-N 0 1 257.381 3.523 20 0 CHADMN CCC[C@@](C)(NCc1cc(C)nc(C)n1)c1ccccc1 ZINC000934180980 1128453994 /nfs/dbraw/zinc/45/39/94/1128453994.db2.gz ZCKIMFIBXHULFE-GOSISDBHSA-N 0 1 283.419 3.899 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2ccc(C)o2)cc1 ZINC000125805733 1128454160 /nfs/dbraw/zinc/45/41/60/1128454160.db2.gz FMOOQRCOGUJBPY-CYBMUJFWSA-N 0 1 259.349 3.790 20 0 CHADMN CCCCC1(NCc2ncc(Br)s2)CC1 ZINC000934203068 1128454527 /nfs/dbraw/zinc/45/45/27/1128454527.db2.gz GGDUVIXDOQXTIL-UHFFFAOYSA-N 0 1 289.242 3.718 20 0 CHADMN CCc1cc(C(=O)N2CCC[C@@H]2c2cccc(C)c2C)n[nH]1 ZINC000125505156 1128451064 /nfs/dbraw/zinc/45/10/64/1128451064.db2.gz VLSSJRBYLBMIOF-QGZVFWFLSA-N 0 1 297.402 3.566 20 0 CHADMN C[C@@H](Cc1cccnc1)NCc1ncc(Cl)cc1Cl ZINC000934235326 1128455944 /nfs/dbraw/zinc/45/59/44/1128455944.db2.gz WAMKUDKMLBNKRS-JTQLQIEISA-N 0 1 296.201 3.504 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1cc(-c2cccs2)on1 ZINC000126395718 1128462923 /nfs/dbraw/zinc/46/29/23/1128462923.db2.gz KDOBMLAUJOGGID-LLVKDONJSA-N 0 1 296.461 3.977 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cnn(CC3CCC3)c2)cs1 ZINC000934563085 1128463268 /nfs/dbraw/zinc/46/32/68/1128463268.db2.gz RUJCIJUZIZFXCU-ZDUSSCGKSA-N 0 1 289.448 3.904 20 0 CHADMN COc1ccc(CN[C@H](C)c2cnn(CC3CCC3)c2)cc1 ZINC000934561313 1128463273 /nfs/dbraw/zinc/46/32/73/1128463273.db2.gz DJWGQFFPJUYTLP-CQSZACIVSA-N 0 1 299.418 3.543 20 0 CHADMN Fc1ccc(CN[C@@H](c2ccncc2)C2CC2)c(F)c1 ZINC000934693431 1128466710 /nfs/dbraw/zinc/46/67/10/1128466710.db2.gz SJAFLLLEHPLFHZ-MRXNPFEDSA-N 0 1 274.314 3.601 20 0 CHADMN CC1(C)CN(Cc2coc(C3CC3)n2)[C@@H]2CCC[C@@H]21 ZINC000934757844 1128469130 /nfs/dbraw/zinc/46/91/30/1128469130.db2.gz BJHVJRIAGJBTPB-UONOGXRCSA-N 0 1 260.381 3.563 20 0 CHADMN CC(C)(C)c1csc(CN2C[C@@H]3CSC[C@]3(C)C2)n1 ZINC000934773446 1128469160 /nfs/dbraw/zinc/46/91/60/1128469160.db2.gz JVERVTFSUNHICY-ABAIWWIYSA-N 0 1 296.505 3.626 20 0 CHADMN C[C@@H]1C[C@H](C)CCN(Cc2noc(-c3ccsc3)n2)C1 ZINC000127083946 1128472656 /nfs/dbraw/zinc/47/26/56/1128472656.db2.gz KAQVHWFRKCVFAK-VXGBXAGGSA-N 0 1 291.420 3.666 20 0 CHADMN Cc1cccc(CN(C)C[C@H]2CC2(Cl)Cl)c1 ZINC000917073718 1128474214 /nfs/dbraw/zinc/47/42/14/1128474214.db2.gz SLHIRLGWGGGECP-GFCCVEGCSA-N 0 1 258.192 3.621 20 0 CHADMN Cc1ncsc1CN(C)CCOc1c(C)cccc1C ZINC000066666646 1128476330 /nfs/dbraw/zinc/47/63/30/1128476330.db2.gz HMZSQFXSFSUBOT-UHFFFAOYSA-N 0 1 290.432 3.579 20 0 CHADMN CN(C/C=C\Cl)CCCOc1ccc(Cl)cc1 ZINC000917084422 1128477093 /nfs/dbraw/zinc/47/70/93/1128477093.db2.gz HNJQNVXTVFTTDW-WAPJZHGLSA-N 0 1 274.191 3.793 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN2CCC[C@H]2c2ccc[nH]2)o1 ZINC000127397542 1128477170 /nfs/dbraw/zinc/47/71/70/1128477170.db2.gz OLQRQFAOOYZNMK-HNNXBMFYSA-N 0 1 296.374 3.643 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000563816863 1128480933 /nfs/dbraw/zinc/48/09/33/1128480933.db2.gz ROLORDDVORJCQC-UONOGXRCSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000563894654 1128483803 /nfs/dbraw/zinc/48/38/03/1128483803.db2.gz MCFBJRQFFJNVHB-LBPRGKRZSA-N 0 1 285.391 3.525 20 0 CHADMN Cc1cccc(-c2noc(CN3CCCC(C)(C)C3)n2)c1 ZINC000497392317 1128488818 /nfs/dbraw/zinc/48/88/18/1128488818.db2.gz RULWFEKFJADAEK-UHFFFAOYSA-N 0 1 285.391 3.667 20 0 CHADMN CCCC[C@H](C)N(C)Cc1nc(C)c2ccccc2n1 ZINC000564496100 1128510620 /nfs/dbraw/zinc/51/06/20/1128510620.db2.gz KVJHYFBTBMZJSU-ZDUSSCGKSA-N 0 1 271.408 3.949 20 0 CHADMN CC1(C)CN(C/C=C\c2ccc(F)cc2)[C@@H]1[C@H]1CCCO1 ZINC000564532516 1128511076 /nfs/dbraw/zinc/51/10/76/1128511076.db2.gz GFAOMGUWKBAVEO-NNCADPFVSA-N 0 1 289.394 3.728 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000567116505 1128558272 /nfs/dbraw/zinc/55/82/72/1128558272.db2.gz ACMYAONBRCAMBP-NEPJUHHUSA-N 0 1 279.380 3.551 20 0 CHADMN CCCC[C@@H](CC)CCN1CCOC[C@H]1CC(F)F ZINC000564757664 1128514995 /nfs/dbraw/zinc/51/49/95/1128514995.db2.gz VTIVGCHPSATMDN-ZIAGYGMSSA-N 0 1 277.399 3.949 20 0 CHADMN C[C@@H]1CC[N@@H+](CC2CCC(C(C)(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC000564968494 1128517457 /nfs/dbraw/zinc/51/74/57/1128517457.db2.gz WZLSYVHZWBJILS-LMPOIIKSSA-N 0 1 295.467 3.882 20 0 CHADMN CC(C)c1nc(CNc2cccc(CO)c2)c2ccccn21 ZINC000565084236 1128519110 /nfs/dbraw/zinc/51/91/10/1128519110.db2.gz UAAAOINCDTXAMR-UHFFFAOYSA-N 0 1 295.386 3.562 20 0 CHADMN Cc1ncncc1[C@H](C)NC1(c2cccc(Cl)c2)CC1 ZINC000565217140 1128521707 /nfs/dbraw/zinc/52/17/07/1128521707.db2.gz PZGWKJKJROAUBO-LBPRGKRZSA-N 0 1 287.794 3.778 20 0 CHADMN CC(C)[C@@H](CC(F)(F)F)N[C@H](C)c1cn2ccccc2n1 ZINC000565218347 1128521891 /nfs/dbraw/zinc/52/18/91/1128521891.db2.gz PMWRDRMPKXIEPU-VXGBXAGGSA-N 0 1 299.340 3.962 20 0 CHADMN Cc1ccc(-c2noc(CN[C@@H]3CCCC3(C)C)n2)cc1 ZINC000565281124 1128523166 /nfs/dbraw/zinc/52/31/66/1128523166.db2.gz LVZIECJGHAYUTJ-CQSZACIVSA-N 0 1 285.391 3.713 20 0 CHADMN CC(C)CC[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000565250344 1128523391 /nfs/dbraw/zinc/52/33/91/1128523391.db2.gz MBPLCPNFUGDZHV-AWEZNQCLSA-N 0 1 293.382 3.925 20 0 CHADMN CC(C)C[N@@H+](Cc1nc(-c2ccsc2)no1)C(C)C ZINC000068806242 1128524607 /nfs/dbraw/zinc/52/46/07/1128524607.db2.gz PQCWLFJPOFCGGP-UHFFFAOYSA-N 0 1 279.409 3.665 20 0 CHADMN CC[C@H]1[C@@H](C)CCN1Cc1cc(C(C)(C)C)on1 ZINC000565389459 1128525041 /nfs/dbraw/zinc/52/50/41/1128525041.db2.gz DGBNKRWGXZNGSA-AAEUAGOBSA-N 0 1 250.386 3.593 20 0 CHADMN CCC1CCC([N@@H+](Cc2occc2C(=O)[O-])C2CC2)CC1 ZINC000565366000 1128525493 /nfs/dbraw/zinc/52/54/93/1128525493.db2.gz MIRBIGWNIOEYRH-UHFFFAOYSA-N 0 1 291.391 3.911 20 0 CHADMN CCCN(C)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000069092566 1128534453 /nfs/dbraw/zinc/53/44/53/1128534453.db2.gz LUGYWJCHZWAGFU-UHFFFAOYSA-N 0 1 296.414 3.558 20 0 CHADMN c1ccc2c(c1)SCC[C@H]2NCc1ccc2c(n1)CCC2 ZINC000565936791 1128535206 /nfs/dbraw/zinc/53/52/06/1128535206.db2.gz XEZNWCVBFUHPIC-QGZVFWFLSA-N 0 1 296.439 3.897 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cc(C)cc(C)c3)[nH]c2c1 ZINC000566027125 1128537487 /nfs/dbraw/zinc/53/74/87/1128537487.db2.gz ZPNAJJQVSIDXHT-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN Cc1nnsc1CN1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000566303585 1128542099 /nfs/dbraw/zinc/54/20/99/1128542099.db2.gz IFVIQVORZPMZOO-SWLSCSKDSA-N 0 1 287.432 3.820 20 0 CHADMN CC(C)c1nc(CN[C@@H]2CCCC[C@H]2F)c2ccccn21 ZINC000566337467 1128542354 /nfs/dbraw/zinc/54/23/54/1128542354.db2.gz FNHYTZSKRFVRAO-ZIAGYGMSSA-N 0 1 289.398 3.828 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1cn2c(cccc2C)n1 ZINC000566347849 1128542985 /nfs/dbraw/zinc/54/29/85/1128542985.db2.gz BNBSPMREQFBPOC-UHFFFAOYSA-N 0 1 293.414 3.976 20 0 CHADMN Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000566366715 1128543443 /nfs/dbraw/zinc/54/34/43/1128543443.db2.gz CHYZZXVCRKULJF-UGSOOPFHSA-N 0 1 297.398 3.833 20 0 CHADMN CCN(C(=O)c1cc(-c2cccs2)[nH]n1)[C@H](C)C(C)C ZINC000566588443 1128547441 /nfs/dbraw/zinc/54/74/41/1128547441.db2.gz NZNSVYIPHZQXEE-LLVKDONJSA-N 0 1 291.420 3.645 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](C)c2cccc(C3CC3)c2)n[nH]1 ZINC000556120285 1128550608 /nfs/dbraw/zinc/55/06/08/1128550608.db2.gz NMLLXTVUBCSAAW-VXGBXAGGSA-N 0 1 284.407 3.656 20 0 CHADMN Clc1ccc2nc(-c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000070270082 1128561181 /nfs/dbraw/zinc/56/11/81/1128561181.db2.gz LFMUVICGXNXVIU-UHFFFAOYSA-N 0 1 286.718 3.655 20 0 CHADMN C[C@H](c1ccccc1F)N(C)Cc1ccc2c[nH]nc2c1 ZINC000129713905 1128553913 /nfs/dbraw/zinc/55/39/13/1128553913.db2.gz RRRQKJIBKVVXCH-GFCCVEGCSA-N 0 1 283.350 3.895 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)o1 ZINC000566921236 1128554321 /nfs/dbraw/zinc/55/43/21/1128554321.db2.gz YCTPSFYJRSLFJH-WHLNPGIBSA-N 0 1 297.354 3.656 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)o1 ZINC000566921235 1128554481 /nfs/dbraw/zinc/55/44/81/1128554481.db2.gz YCTPSFYJRSLFJH-HVHJFMEUSA-N 0 1 297.354 3.656 20 0 CHADMN CC(C)c1nc(C[N@@H+]2CC[C@H]2C(C)C)c2ccccn21 ZINC000567278970 1128561472 /nfs/dbraw/zinc/56/14/72/1128561472.db2.gz QFAMHTXJVMTRLK-HNNXBMFYSA-N 0 1 271.408 3.688 20 0 CHADMN CC(C)c1nc(CN2CC[C@H]2C(C)C)c2ccccn21 ZINC000567278970 1128561476 /nfs/dbraw/zinc/56/14/76/1128561476.db2.gz QFAMHTXJVMTRLK-HNNXBMFYSA-N 0 1 271.408 3.688 20 0 CHADMN CC[C@H](C)N(C)Cc1ccc(OC)cc1Br ZINC000564292947 1128503009 /nfs/dbraw/zinc/50/30/09/1128503009.db2.gz XKJBTQNBWOQPDD-JTQLQIEISA-N 0 1 286.213 3.688 20 0 CHADMN NC1(c2noc([C@@H]3CCCC[C@H]3C3CC3)n2)CCCCC1 ZINC000567351267 1128562881 /nfs/dbraw/zinc/56/28/81/1128562881.db2.gz CSHZSGGBMBRJND-UONOGXRCSA-N 0 1 289.423 3.872 20 0 CHADMN CC(C)CC[C@@H]1CCCCN1Cc1noc2c1COCC2 ZINC000930034614 1128563992 /nfs/dbraw/zinc/56/39/92/1128563992.db2.gz TWXNPFJWPATLBN-AWEZNQCLSA-N 0 1 292.423 3.538 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000567470865 1128565500 /nfs/dbraw/zinc/56/55/00/1128565500.db2.gz RYOLTQYFCWMJJO-NILFDRSVSA-N 0 1 295.810 3.834 20 0 CHADMN CC[C@]1(C)CCC[N@H+]([C@@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000567479204 1128565537 /nfs/dbraw/zinc/56/55/37/1128565537.db2.gz QXLZXKOMMDYOKY-BLLLJJGKSA-N 0 1 279.380 3.859 20 0 CHADMN c1cn(C2CCCC2)nc1CN1CCc2ccccc2CC1 ZINC000567536350 1128567166 /nfs/dbraw/zinc/56/71/66/1128567166.db2.gz HTDUTCJVQJINSL-UHFFFAOYSA-N 0 1 295.430 3.599 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc3cnn(C)c3c2)o1 ZINC000567555083 1128567176 /nfs/dbraw/zinc/56/71/76/1128567176.db2.gz UKEAKEVWANANFZ-WBMJQRKESA-N 0 1 295.386 3.580 20 0 CHADMN Cc1ccc(CN(C)CCOc2ccc(Cl)cc2)nc1 ZINC000131298785 1128613615 /nfs/dbraw/zinc/61/36/15/1128613615.db2.gz VAIUERVNFHFETI-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN CSc1ccc(C)c(NC(=O)c2cccc(F)c2O)c1 ZINC001127447983 1128577066 /nfs/dbraw/zinc/57/70/66/1128577066.db2.gz VAQGIYXKDJPYFG-UHFFFAOYSA-N 0 1 291.347 3.814 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@H]2C2CCC2)c1Cl ZINC000568059463 1128577317 /nfs/dbraw/zinc/57/73/17/1128577317.db2.gz ANENYIHIVHLUIE-AWEZNQCLSA-N 0 1 293.794 3.803 20 0 CHADMN Cn1ccnc1[C@@H](NC1CCC2(CC2)CC1)c1ccccc1 ZINC000568157429 1128579011 /nfs/dbraw/zinc/57/90/11/1128579011.db2.gz ZTCOZXHEEQZMOT-KRWDZBQOSA-N 0 1 295.430 3.822 20 0 CHADMN CCCC[C@@H](CC)C[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000568290382 1128581569 /nfs/dbraw/zinc/58/15/69/1128581569.db2.gz IHXMCGWJXKBQMZ-QWHCGFSZSA-N 0 1 255.402 3.530 20 0 CHADMN CCCc1ccc(C[N@@H+]2[C@H](C)[C@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000568292271 1128582017 /nfs/dbraw/zinc/58/20/17/1128582017.db2.gz IPHSKWALSBKJPM-JJRVBVJISA-N 0 1 289.419 3.713 20 0 CHADMN CCCC[C@H](CC)C[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000568290381 1128582059 /nfs/dbraw/zinc/58/20/59/1128582059.db2.gz IHXMCGWJXKBQMZ-OLZOCXBDSA-N 0 1 255.402 3.530 20 0 CHADMN CC(C)N(Cc1ccc(CO)o1)[C@@H](C)c1ccsc1 ZINC000568380354 1128583662 /nfs/dbraw/zinc/58/36/62/1128583662.db2.gz AEYWNIWXWGJJGH-LBPRGKRZSA-N 0 1 279.405 3.805 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000568520831 1128586617 /nfs/dbraw/zinc/58/66/17/1128586617.db2.gz ANJSRRVVKNRAPT-HOCLYGCPSA-N 0 1 287.403 3.509 20 0 CHADMN CO[C@@H](C)c1nc(CN2CC[C@@H]3CCCC[C@@H]32)cs1 ZINC000568623544 1128589050 /nfs/dbraw/zinc/58/90/50/1128589050.db2.gz UDGNXUZDKPPZJG-OBJOEFQTSA-N 0 1 280.437 3.615 20 0 CHADMN C[C@@H](NCc1cnn2ccccc12)c1cccc(Cl)c1 ZINC000071372691 1128589112 /nfs/dbraw/zinc/58/91/12/1128589112.db2.gz MMLYBJUXXIAQOD-GFCCVEGCSA-N 0 1 285.778 3.839 20 0 CHADMN FC(F)c1ccc(CN2CCC[C@H]2c2ccc[nH]2)cn1 ZINC000637814419 1129231452 /nfs/dbraw/zinc/23/14/52/1129231452.db2.gz KEGKLSLBCGVYKP-AWEZNQCLSA-N 0 1 277.318 3.684 20 0 CHADMN Cc1ccc(CNCc2ccc(CO)c(F)c2)c(Cl)c1 ZINC000568889080 1128593718 /nfs/dbraw/zinc/59/37/18/1128593718.db2.gz CFYKLAFPWJRGNL-UHFFFAOYSA-N 0 1 293.769 3.570 20 0 CHADMN COc1ccc(CN(C)CC(C)C)c(Br)c1 ZINC000568933356 1128594475 /nfs/dbraw/zinc/59/44/75/1128594475.db2.gz QEUCCVAPVAUARW-UHFFFAOYSA-N 0 1 286.213 3.546 20 0 CHADMN Cc1nc(C2(NCCC(C)(C)C)CCCCCC2)no1 ZINC000556497412 1128595714 /nfs/dbraw/zinc/59/57/14/1128595714.db2.gz HALDVZCWHUFZGW-UHFFFAOYSA-N 0 1 279.428 3.953 20 0 CHADMN FC(F)c1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cn1 ZINC000637814421 1129231484 /nfs/dbraw/zinc/23/14/84/1129231484.db2.gz KEGKLSLBCGVYKP-CQSZACIVSA-N 0 1 277.318 3.684 20 0 CHADMN CC(C)N(Cc1ccno1)[C@H](C)c1ccsc1 ZINC000570074425 1128615546 /nfs/dbraw/zinc/61/55/46/1128615546.db2.gz WFJVJNRACKJCKE-LLVKDONJSA-N 0 1 250.367 3.708 20 0 CHADMN C[C@H]1CC[C@H](c2nc(-c3ccc4[nH]cnc4c3)no2)CC1 ZINC000569109290 1128598333 /nfs/dbraw/zinc/59/83/33/1128598333.db2.gz YANZWJISGBSLQF-XYPYZODXSA-N 0 1 282.347 3.907 20 0 CHADMN C[C@@H](N[C@@H]1C=CCCCCC1)c1c(F)cncc1F ZINC000569712294 1128607661 /nfs/dbraw/zinc/60/76/61/1128607661.db2.gz BZPVFSJXOSUOHW-VXGBXAGGSA-N 0 1 266.335 3.899 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CCCC[C@H]1C1CCC1 ZINC000649197537 1128608392 /nfs/dbraw/zinc/60/83/92/1128608392.db2.gz ORYFVDVQYPQPIH-AWEZNQCLSA-N 0 1 293.794 3.840 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(C(C)(C)C)on2)C1 ZINC000569859456 1128610834 /nfs/dbraw/zinc/61/08/34/1128610834.db2.gz YIAIEANPQRDCNN-GFCCVEGCSA-N 0 1 250.386 3.594 20 0 CHADMN CC1(C)CCN(Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000498922712 1128621098 /nfs/dbraw/zinc/62/10/98/1128621098.db2.gz CVYNQSHRFZQMTA-UHFFFAOYSA-N 0 1 297.402 3.891 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000570456981 1128624506 /nfs/dbraw/zinc/62/45/06/1128624506.db2.gz UDEDQAOCGVBFTK-OAHLLOKOSA-N 0 1 281.421 3.849 20 0 CHADMN CCC[N@@H+](CCCCCC(=O)[O-])CC1CCCCC1 ZINC000570638851 1128628874 /nfs/dbraw/zinc/62/88/74/1128628874.db2.gz IPCQJSQZFXZIRY-UHFFFAOYSA-N 0 1 269.429 3.924 20 0 CHADMN CCC[C@@H](C)[N@@H+](C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000570689499 1128629701 /nfs/dbraw/zinc/62/97/01/1128629701.db2.gz OIBVZKWZQNEVJU-SNVBAGLBSA-N 0 1 269.772 3.659 20 0 CHADMN C[N@@H+](CCCCc1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000570851375 1128633720 /nfs/dbraw/zinc/63/37/20/1128633720.db2.gz HMLDCVCOCRDVFC-GOSISDBHSA-N 0 1 297.398 3.767 20 0 CHADMN C[C@@H](N[C@H]1CCc2c1cccc2F)c1cn2ccccc2n1 ZINC000570862686 1128633823 /nfs/dbraw/zinc/63/38/23/1128633823.db2.gz JERIERAJKMEADW-WBMJQRKESA-N 0 1 295.361 3.812 20 0 CHADMN CC1(C)CCCN(Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000499050895 1128633880 /nfs/dbraw/zinc/63/38/80/1128633880.db2.gz AOTVGMZATXIJSC-UHFFFAOYSA-N 0 1 297.402 3.891 20 0 CHADMN CCCC[C@H](C)[N@@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000570887921 1128634174 /nfs/dbraw/zinc/63/41/74/1128634174.db2.gz AFSPCBODVWJSEE-LBPRGKRZSA-N 0 1 291.370 3.886 20 0 CHADMN CCCC[C@H](C)N(C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000570887921 1128634176 /nfs/dbraw/zinc/63/41/76/1128634176.db2.gz AFSPCBODVWJSEE-LBPRGKRZSA-N 0 1 291.370 3.886 20 0 CHADMN Cc1ccc(-c2noc([C@@H](C)NC3CC(C)C3)n2)cc1F ZINC000570875188 1128634690 /nfs/dbraw/zinc/63/46/90/1128634690.db2.gz IMUAPQREGAFBOB-DMLGSKKGSA-N 0 1 289.354 3.633 20 0 CHADMN C[C@H](N[C@@H]1CCCC12CCC2)c1nc(C(C)(C)C)no1 ZINC000571748166 1128639176 /nfs/dbraw/zinc/63/91/76/1128639176.db2.gz AAYOBVNYKWMFCT-NWDGAFQWSA-N 0 1 277.412 3.741 20 0 CHADMN Cc1cccc(NC(=O)c2cn[nH]c2-c2ccccc2)c1C ZINC000073142283 1128639359 /nfs/dbraw/zinc/63/93/59/1128639359.db2.gz JAAPCPIAFDDLMW-UHFFFAOYSA-N 0 1 291.354 3.946 20 0 CHADMN CC[C@@]1(C)CCN(Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000499071637 1128639582 /nfs/dbraw/zinc/63/95/82/1128639582.db2.gz VKCCDAOXLFDDHT-SFHVURJKSA-N 0 1 297.402 3.891 20 0 CHADMN CCC1CCC([N@@H+](Cc2ccoc2C(=O)[O-])C2CC2)CC1 ZINC000571928688 1128640937 /nfs/dbraw/zinc/64/09/37/1128640937.db2.gz DMNLGUPZGVRGJJ-UHFFFAOYSA-N 0 1 291.391 3.911 20 0 CHADMN Clc1ccc2onc(NCCc3ccsc3)c2c1 ZINC000572808413 1128647870 /nfs/dbraw/zinc/64/78/70/1128647870.db2.gz HKHYKCPZRORQKS-UHFFFAOYSA-N 0 1 278.764 3.619 20 0 CHADMN Cc1ccc(CN2Cc3ccccc3OC(C)(C)C2)o1 ZINC000572921511 1128649399 /nfs/dbraw/zinc/64/93/99/1128649399.db2.gz NTPYDMMMFPTMSR-UHFFFAOYSA-N 0 1 271.360 3.761 20 0 CHADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000572983707 1128650288 /nfs/dbraw/zinc/65/02/88/1128650288.db2.gz ZBXBKNAGYDKGSP-ZIAGYGMSSA-N 0 1 297.402 3.519 20 0 CHADMN CCCCN(C)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000073601400 1128645778 /nfs/dbraw/zinc/64/57/78/1128645778.db2.gz OZLCGVQNOOOOCF-LBPRGKRZSA-N 0 1 282.815 3.707 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2nc(C(C)(C)C)cs2)C1 ZINC000572688244 1128646357 /nfs/dbraw/zinc/64/63/57/1128646357.db2.gz LSJCRXHRIBOJJW-MNOVXSKESA-N 0 1 252.427 3.671 20 0 CHADMN Clc1ccc2nc(SCC3CCOCC3)[nH]c2c1 ZINC000073968754 1128651378 /nfs/dbraw/zinc/65/13/78/1128651378.db2.gz XBCOJNDDFCQMLT-UHFFFAOYSA-N 0 1 282.796 3.735 20 0 CHADMN CCC[C@@H](C)c1noc(-c2ccc3[nH]cnc3c2)n1 ZINC000923869564 1128653861 /nfs/dbraw/zinc/65/38/61/1128653861.db2.gz WOVPKAOWEGRCTC-SECBINFHSA-N 0 1 256.309 3.517 20 0 CHADMN CC1=C(C)CN(C(=O)c2cccc(C(F)(F)F)c2O)CC1 ZINC000573934839 1128659796 /nfs/dbraw/zinc/65/97/96/1128659796.db2.gz YTIDGIGMZMUCSO-UHFFFAOYSA-N 0 1 299.292 3.593 20 0 CHADMN COc1cccc(CN(C)[C@H](C)c2cccnc2)c1C ZINC000930119514 1128666340 /nfs/dbraw/zinc/66/63/40/1128666340.db2.gz OOMUZWPHSHYVDK-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN N#CC(C(=O)Cc1cccs1)c1ccc2ccccc2n1 ZINC000047376051 1128670132 /nfs/dbraw/zinc/67/01/32/1128670132.db2.gz QXEYBBUKWPOAJP-CQSZACIVSA-N 0 1 292.363 3.715 20 0 CHADMN CC[C@@H](C)CN(C)Cc1nc(-c2ccccc2C)no1 ZINC000600685161 1128678065 /nfs/dbraw/zinc/67/80/65/1128678065.db2.gz KAIFBJZAYWMJCF-GFCCVEGCSA-N 0 1 273.380 3.523 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@@H]1NCc1nn(C)c2ccccc12 ZINC000600815637 1128683325 /nfs/dbraw/zinc/68/33/25/1128683325.db2.gz IJTSQNOCTSSUQS-BFUOFWGJSA-N 0 1 291.398 3.596 20 0 CHADMN C[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(Cl)o1 ZINC000600815635 1128683622 /nfs/dbraw/zinc/68/36/22/1128683622.db2.gz IFDSYQIPZFQUMC-ZUZCIYMTSA-N 0 1 261.752 3.956 20 0 CHADMN CC[C@H](NCc1ccc([C@H](C)O)cc1)c1ccc(F)cn1 ZINC000779023160 1128685268 /nfs/dbraw/zinc/68/52/68/1128685268.db2.gz PAIJSXKYJSWLMN-LRDDRELGSA-N 0 1 288.366 3.515 20 0 CHADMN Cc1cc(COC(=O)c2cccc3[nH]ncc32)c(C)s1 ZINC000920796291 1128691844 /nfs/dbraw/zinc/69/18/44/1128691844.db2.gz VBSHKVAWGNCLMT-UHFFFAOYSA-N 0 1 286.356 3.598 20 0 CHADMN Nc1c(F)cccc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000637866336 1129232650 /nfs/dbraw/zinc/23/26/50/1129232650.db2.gz KQWJAQNBCSUYFV-ZDUSSCGKSA-N 0 1 276.380 3.807 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000578137547 1128708942 /nfs/dbraw/zinc/70/89/42/1128708942.db2.gz MDICOQFBUIYAOV-IVMMDQJWSA-N 0 1 293.382 3.503 20 0 CHADMN CCOc1cccc(Cl)c1CN(C)CCCCOC ZINC000578203590 1128711631 /nfs/dbraw/zinc/71/16/31/1128711631.db2.gz XEDAAVTVEMMDTM-UHFFFAOYSA-N 0 1 285.815 3.597 20 0 CHADMN CC(C)c1cnc(CN2CC[C@H](c3cccnc3)C2)s1 ZINC000578324069 1128714379 /nfs/dbraw/zinc/71/43/79/1128714379.db2.gz JVPKFIYJEGEFPH-AWEZNQCLSA-N 0 1 287.432 3.651 20 0 CHADMN C[C@H](C(=O)NOCc1ccccc1)c1ccc(Cl)s1 ZINC000175072218 1128715047 /nfs/dbraw/zinc/71/50/47/1128715047.db2.gz ABXRJPWBWNHNRV-JTQLQIEISA-N 0 1 295.791 3.753 20 0 CHADMN CN(CCc1ccc(F)cc1Cl)CCC(F)(F)F ZINC000578565900 1128722203 /nfs/dbraw/zinc/72/22/03/1128722203.db2.gz SHTZJQZYWAQQPQ-UHFFFAOYSA-N 0 1 283.696 3.906 20 0 CHADMN COc1ccc(C2(N[C@H](C)c3cc(C)ccn3)CC2)cc1 ZINC000578492340 1128719668 /nfs/dbraw/zinc/71/96/68/1128719668.db2.gz JABLRFFWTMNCSN-CQSZACIVSA-N 0 1 282.387 3.739 20 0 CHADMN C[C@@H]1CCCCN1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000078967946 1128724595 /nfs/dbraw/zinc/72/45/95/1128724595.db2.gz SDPHKUAJXGTVSI-LLVKDONJSA-N 0 1 291.782 3.764 20 0 CHADMN CC(C)=CCNc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000578798375 1128729319 /nfs/dbraw/zinc/72/93/19/1128729319.db2.gz ZCUPJGAVKGDBBN-HOTGVXAUSA-N 0 1 288.435 3.674 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CC[S@](=O)CC[C@@H]1C ZINC000361109030 1117748177 /nfs/dbraw/zinc/74/81/77/1117748177.db2.gz DINOPXNONZERKE-TXPKVOOTSA-N 0 1 285.497 3.602 20 0 CHADMN c1cc2cc(CNc3ncnc4ccsc43)ccc2s1 ZINC000578928050 1128733311 /nfs/dbraw/zinc/73/33/11/1128733311.db2.gz ULMUDJDYYIRQIK-UHFFFAOYSA-N 0 1 297.408 3.940 20 0 CHADMN CCCCCC[C@@H](C)NCc1cnn(-c2ccccc2)n1 ZINC000034995428 1117758228 /nfs/dbraw/zinc/75/82/28/1117758228.db2.gz ZAFFYAONGYRHIM-OAHLLOKOSA-N 0 1 286.423 3.716 20 0 CHADMN CC[C@@H](NCc1ccc(C)o1)c1ccc(OC)cc1 ZINC000035012897 1117759381 /nfs/dbraw/zinc/75/93/81/1117759381.db2.gz SZOBWVDDYMEDGU-MRXNPFEDSA-N 0 1 259.349 3.838 20 0 CHADMN CC(C)[C@@H](NCc1ccccn1)c1ccc(F)cc1 ZINC000035016337 1117760834 /nfs/dbraw/zinc/76/08/34/1117760834.db2.gz CULCTWXZQMPJBT-MRXNPFEDSA-N 0 1 258.340 3.708 20 0 CHADMN CCCCN(C)Cc1cc(F)cc(Br)c1F ZINC001238074448 1117769659 /nfs/dbraw/zinc/76/96/59/1117769659.db2.gz LBURGZRYURXVCU-UHFFFAOYSA-N 0 1 292.167 3.959 20 0 CHADMN Cc1cc(CN2CCC[C@]3(CCO3)C2)cc(C)c1Cl ZINC001238090158 1117772098 /nfs/dbraw/zinc/77/20/98/1117772098.db2.gz CNYCMJKYOLHJIM-INIZCTEOSA-N 0 1 279.811 3.712 20 0 CHADMN CC(C)[C@@H]1CCN([C@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000671241876 1117784076 /nfs/dbraw/zinc/78/40/76/1117784076.db2.gz MTHBDLJXHRINGP-UKRRQHHQSA-N 0 1 285.391 3.776 20 0 CHADMN CCC[C@H]1CCC[N@@H+](CC[C@H](C(=O)[O-])c2ccccc2)C1 ZINC000579132362 1128739631 /nfs/dbraw/zinc/73/96/31/1128739631.db2.gz AQWITFSRFARYGG-RDJZCZTQSA-N 0 1 289.419 3.757 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1CCC[C@@H](C)C1 ZINC000003564681 1117793231 /nfs/dbraw/zinc/79/32/31/1117793231.db2.gz AYTVLLKAHXVPSU-CQSZACIVSA-N 0 1 288.435 3.789 20 0 CHADMN Cc1ccccc1-c1noc(CN[C@H]2CCCC2(C)C)n1 ZINC000683142557 1117793375 /nfs/dbraw/zinc/79/33/75/1117793375.db2.gz WJVQADCKGWPMBG-AWEZNQCLSA-N 0 1 285.391 3.713 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1cc(C)ccn1 ZINC000683144286 1117798206 /nfs/dbraw/zinc/79/82/06/1117798206.db2.gz GKRMQPONFMNQEZ-LFIBNONCSA-N 0 1 266.388 3.925 20 0 CHADMN Cc1ccoc1CN[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000339462797 1117799746 /nfs/dbraw/zinc/79/97/46/1117799746.db2.gz CHWLBIYQUBWSIS-CYBMUJFWSA-N 0 1 299.349 3.764 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)[C@@H]2CCCC[C@H]12 ZINC000579790855 1117806102 /nfs/dbraw/zinc/80/61/02/1117806102.db2.gz CFONVSPXLMXPRK-MGPQQGTHSA-N 0 1 290.455 3.503 20 0 CHADMN C[C@H](F)CCNCc1csc(COc2ccccc2)n1 ZINC000339481572 1117806415 /nfs/dbraw/zinc/80/64/15/1117806415.db2.gz DFNFOMISHAOYKL-LBPRGKRZSA-N 0 1 294.395 3.560 20 0 CHADMN C[C@H]1CC2(CCC2)C[N@H+]1CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000579016738 1128736164 /nfs/dbraw/zinc/73/61/64/1128736164.db2.gz ZHUHVEHUWPMDHL-GOEBONIOSA-N 0 1 287.403 3.509 20 0 CHADMN C[C@H](c1ccccn1)N(C)C[C@H]1CCC2(CCCC2)O1 ZINC000530463008 1117810299 /nfs/dbraw/zinc/81/02/99/1117810299.db2.gz RHXPPJKZJNIQDY-HUUCEWRRSA-N 0 1 274.408 3.566 20 0 CHADMN Cc1ncsc1CNc1ccnc(C)c1Br ZINC000309620010 1117810953 /nfs/dbraw/zinc/81/09/53/1117810953.db2.gz CYZVIHBNBWUHKG-UHFFFAOYSA-N 0 1 298.209 3.530 20 0 CHADMN Clc1cnc(CNC[C@H]2C[C@@H]2c2ccccc2)s1 ZINC000339509937 1117814451 /nfs/dbraw/zinc/81/44/51/1117814451.db2.gz AZPDLQSGOWGEDY-VXGBXAGGSA-N 0 1 278.808 3.690 20 0 CHADMN CCN(CCOc1cc(C)ccc1C)CCC(F)(F)F ZINC000623122013 1117816116 /nfs/dbraw/zinc/81/61/16/1117816116.db2.gz ZXUACHLRVDLEDY-UHFFFAOYSA-N 0 1 289.341 3.957 20 0 CHADMN Cc1cc(CNC2c3ccccc3-c3ccccc32)n(C)n1 ZINC000671300551 1117818690 /nfs/dbraw/zinc/81/86/90/1117818690.db2.gz WYGKTLCHCLVHQC-UHFFFAOYSA-N 0 1 289.382 3.588 20 0 CHADMN CCCCCCN[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000185395141 1117820340 /nfs/dbraw/zinc/82/03/40/1117820340.db2.gz YNUJFKLPMDXGJM-AWEZNQCLSA-N 0 1 287.407 3.891 20 0 CHADMN Cc1nc([C@H]2CCCC[N@@H+]2CC(C(C)C)C(C)C)no1 ZINC000671304721 1117823298 /nfs/dbraw/zinc/82/32/98/1117823298.db2.gz IIRSXZUMOADNSB-OAHLLOKOSA-N 0 1 279.428 3.833 20 0 CHADMN Cc1nc([C@H]2CCCCN2CC(C(C)C)C(C)C)no1 ZINC000671304721 1117823304 /nfs/dbraw/zinc/82/33/04/1117823304.db2.gz IIRSXZUMOADNSB-OAHLLOKOSA-N 0 1 279.428 3.833 20 0 CHADMN CCc1ccc(NC(=O)[C@@H]2C[C@H](C)Cc3cn[nH]c32)cc1C ZINC000623207617 1117823578 /nfs/dbraw/zinc/82/35/78/1117823578.db2.gz YJOMYUONHJFPDV-BDJLRTHQSA-N 0 1 297.402 3.585 20 0 CHADMN c1[nH]nc2c1CN([C@H]1CCCC[C@H](c3ccccc3)C1)CC2 ZINC000623238918 1117825887 /nfs/dbraw/zinc/82/58/87/1117825887.db2.gz XXMGVJHHHDYSTE-WMZOPIPTSA-N 0 1 295.430 3.884 20 0 CHADMN CC[C@@H]1CCN1Cc1cn(C)nc1-c1ccccc1Cl ZINC000430190210 1117826882 /nfs/dbraw/zinc/82/68/82/1117826882.db2.gz GWEFWOJICHAUCE-CYBMUJFWSA-N 0 1 289.810 3.725 20 0 CHADMN CC(C)C[C@H](C)C[C@H](C)N1CCN(C(=O)C(C)(C)C)CC1 ZINC001258073466 1128737455 /nfs/dbraw/zinc/73/74/55/1128737455.db2.gz CQKNRAUHHCPUPK-HOTGVXAUSA-N 0 1 296.499 3.638 20 0 CHADMN Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccncc2C)cc1 ZINC000579074328 1128737918 /nfs/dbraw/zinc/73/79/18/1128737918.db2.gz GJEKBTKQNLTMEB-OAHLLOKOSA-N 0 1 254.377 3.891 20 0 CHADMN COc1cc(CNCc2ccoc2C)cc(C(F)(F)F)c1 ZINC000623372183 1117845958 /nfs/dbraw/zinc/84/59/58/1117845958.db2.gz IHWKVMKIAPIXQN-UHFFFAOYSA-N 0 1 299.292 3.905 20 0 CHADMN Cc1cnc(CN[C@H](C)c2cc(Cl)ccc2O)s1 ZINC000185568935 1117848987 /nfs/dbraw/zinc/84/89/87/1117848987.db2.gz BWLLUEZRMRZUMD-SECBINFHSA-N 0 1 282.796 3.661 20 0 CHADMN CC[C@H]1CCN1Cc1cnc(-c2ccc(C)o2)s1 ZINC000430198000 1117850031 /nfs/dbraw/zinc/85/00/31/1117850031.db2.gz PWNAUNKQTHIZOC-NSHDSACASA-N 0 1 262.378 3.696 20 0 CHADMN COc1cccc(Cl)c1CNc1cc2c(cn1)CCC2 ZINC000339555438 1117852393 /nfs/dbraw/zinc/85/23/93/1117852393.db2.gz OTYFGEQBNCLXAT-UHFFFAOYSA-N 0 1 288.778 3.844 20 0 CHADMN c1coc(-c2ncc(CNc3cc4c(cn3)CCC4)s2)c1 ZINC000339556733 1117852466 /nfs/dbraw/zinc/85/24/66/1117852466.db2.gz UQUDOFBSICZKCY-UHFFFAOYSA-N 0 1 297.383 3.899 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(CC)cn2)cc1 ZINC000148079111 1117857678 /nfs/dbraw/zinc/85/76/78/1117857678.db2.gz ILESKHUOEHRREL-UHFFFAOYSA-N 0 1 268.404 3.838 20 0 CHADMN Cc1occc1CNCc1ccc(C(F)(F)F)s1 ZINC000683202607 1117868755 /nfs/dbraw/zinc/86/87/55/1117868755.db2.gz IQESMIPSQBBLQQ-UHFFFAOYSA-N 0 1 275.295 3.958 20 0 CHADMN F[C@]1(c2ccccc2)CCN(Cc2[nH]nc3ccccc32)C1 ZINC000670272145 1117869611 /nfs/dbraw/zinc/86/96/11/1117869611.db2.gz NGTKKIPVHWYERS-GOSISDBHSA-N 0 1 295.361 3.634 20 0 CHADMN Cc1cc(CNc2nccc(C)c2C2CC2)ccn1 ZINC000623564321 1117872438 /nfs/dbraw/zinc/87/24/38/1117872438.db2.gz ZUKYGYZJUKBWGW-UHFFFAOYSA-N 0 1 253.349 3.583 20 0 CHADMN CC(C)Cc1ccccc1CNCc1ccncc1F ZINC000623587054 1117876056 /nfs/dbraw/zinc/87/60/56/1117876056.db2.gz AHBRSRVRAAHFCN-UHFFFAOYSA-N 0 1 272.367 3.709 20 0 CHADMN CC(C)Cn1nccc1CN[C@@H](c1ccccn1)C1CCC1 ZINC000623638535 1117879505 /nfs/dbraw/zinc/87/95/05/1117879505.db2.gz IUXXDVXMKIGPLM-GOSISDBHSA-N 0 1 298.434 3.565 20 0 CHADMN CC[C@@H](C(=O)Nc1cccc(-c2cccs2)c1)N(C)C ZINC000177875044 1117881162 /nfs/dbraw/zinc/88/11/62/1117881162.db2.gz AWVPIKIOGLWUJR-AWEZNQCLSA-N 0 1 288.416 3.694 20 0 CHADMN C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccoc1 ZINC000177940889 1117882438 /nfs/dbraw/zinc/88/24/38/1117882438.db2.gz IFCKSXVZNXQHAY-KZULUSFZSA-N 0 1 299.370 3.853 20 0 CHADMN O=C([O-])C[N@@H+](CCC12CC3CC(CC(C3)C1)C2)C1CCC1 ZINC000579258737 1128742436 /nfs/dbraw/zinc/74/24/36/1128742436.db2.gz XYVFHMDXQGUHTI-UHFFFAOYSA-N 0 1 291.435 3.532 20 0 CHADMN Cc1c[nH]c(CN[C@H](c2cccc(C)c2)C(C)C)n1 ZINC000623731295 1117902637 /nfs/dbraw/zinc/90/26/37/1117902637.db2.gz QSHBHRWXRZCORH-INIZCTEOSA-N 0 1 257.381 3.513 20 0 CHADMN C[C@H]1CCCC[C@@H]1C(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000615281219 1128742927 /nfs/dbraw/zinc/74/29/27/1128742927.db2.gz NUQJLYVQQFHITQ-AAEUAGOBSA-N 0 1 299.374 3.547 20 0 CHADMN CC1(C)CC[C@H](C(=O)Nc2c(=O)[nH][nH]c2-c2ccccc2)C1 ZINC000615283170 1128743258 /nfs/dbraw/zinc/74/32/58/1128743258.db2.gz PIOJQGMBOSTEJV-LBPRGKRZSA-N 0 1 299.374 3.547 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc(CC(F)(F)F)cc1 ZINC000639041579 1117914384 /nfs/dbraw/zinc/91/43/84/1117914384.db2.gz XCKTUPZASOEDGV-UHFFFAOYSA-N 0 1 294.320 3.818 20 0 CHADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccccc1 ZINC000179850905 1117914964 /nfs/dbraw/zinc/91/49/64/1117914964.db2.gz GPSHMSYZFHASNK-UHFFFAOYSA-N 0 1 287.269 3.753 20 0 CHADMN COc1cc(CN[C@@H]2c3ccccc3O[C@H]2C)ccc1C ZINC000579282748 1128743526 /nfs/dbraw/zinc/74/35/26/1128743526.db2.gz XOAXUXQPWRYJNK-UGSOOPFHSA-N 0 1 283.371 3.615 20 0 CHADMN CN1CCC(=Nc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC001208719581 1117916882 /nfs/dbraw/zinc/91/68/82/1117916882.db2.gz SRYOYOUCKCZAPM-UHFFFAOYSA-N 0 1 289.766 3.626 20 0 CHADMN C[N@H+](CCc1cccs1)Cc1c[nH]c(-c2ccccc2)n1 ZINC000179945495 1117917477 /nfs/dbraw/zinc/91/74/77/1117917477.db2.gz POKWSFMMNCAWNW-UHFFFAOYSA-N 0 1 297.427 3.813 20 0 CHADMN Clc1scc(CN[C@H]2CO[C@H](C3CC3)C2)c1Cl ZINC000623753742 1117919236 /nfs/dbraw/zinc/91/92/36/1117919236.db2.gz DCGOKFJQEBZEKC-ZJUUUORDSA-N 0 1 292.231 3.712 20 0 CHADMN Fc1cccc(CCCN2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000510118492 1117919055 /nfs/dbraw/zinc/91/90/55/1117919055.db2.gz HVYAAWUYLJTMIP-QGZVFWFLSA-N 0 1 287.382 3.709 20 0 CHADMN Clc1oc2ccccc2c1CN[C@H]1CO[C@@H](C2CC2)C1 ZINC000623753709 1117920034 /nfs/dbraw/zinc/92/00/34/1117920034.db2.gz CNDGMVLMYSERMN-IAQYHMDHSA-N 0 1 291.778 3.743 20 0 CHADMN c1ncn2ccc(-c3noc([C@@H]4CC45CCCCC5)n3)cc12 ZINC000351068200 1117925573 /nfs/dbraw/zinc/92/55/73/1117925573.db2.gz ARTADSOXRYGKNR-AWEZNQCLSA-N 0 1 294.358 3.822 20 0 CHADMN C[C@H]1CCC2=NN(c3ncc(Cl)cc3Cl)C(=O)[C@H]2C1 ZINC000634584253 1117925938 /nfs/dbraw/zinc/92/59/38/1117925938.db2.gz XBFOYFWBACIJNI-CBAPKCEASA-N 0 1 298.173 3.527 20 0 CHADMN Clc1ccc2c(c1)[C@H](NCc1ccccn1)CCC2 ZINC000623832175 1117942951 /nfs/dbraw/zinc/94/29/51/1117942951.db2.gz ORELDDAZAOWRKS-MRXNPFEDSA-N 0 1 272.779 3.902 20 0 CHADMN Fc1cccc(F)c1CCN[C@H]1CCCc2scnc21 ZINC000623866695 1117945909 /nfs/dbraw/zinc/94/59/09/1117945909.db2.gz CIVQIMXKROXIJO-ZDUSSCGKSA-N 0 1 294.370 3.631 20 0 CHADMN c1nc2c(s1)CCC[C@@H]2NCCSc1ccccc1 ZINC000623853150 1117946971 /nfs/dbraw/zinc/94/69/71/1117946971.db2.gz OEDLXDJEBQBHIA-ZDUSSCGKSA-N 0 1 290.457 3.902 20 0 CHADMN CCCCC[N@@H+](CC1(C(=O)[O-])CC1)[C@H](C)CCC ZINC000579364941 1128746106 /nfs/dbraw/zinc/74/61/06/1128746106.db2.gz GIIHPTCZLKNRRQ-CYBMUJFWSA-N 0 1 255.402 3.532 20 0 CHADMN Cc1cccc([C@@H](N[C@H](CCO)c2ccco2)C(C)C)c1 ZINC000623961868 1117962183 /nfs/dbraw/zinc/96/21/83/1117962183.db2.gz QNTKNBQQLUGGRR-AEFFLSMTSA-N 0 1 287.403 3.998 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)C[C@@H](C)C(F)(F)F ZINC001208906405 1117962240 /nfs/dbraw/zinc/96/22/40/1117962240.db2.gz WCHJEZNGDSGGGE-GHMZBOCLSA-N 0 1 275.314 3.886 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(Cl)c(F)c1)c1cn[nH]c1 ZINC000222521108 1117965703 /nfs/dbraw/zinc/96/57/03/1117965703.db2.gz SBHQLEQTGYXJLC-DTWKUNHWSA-N 0 1 267.735 3.614 20 0 CHADMN C[C@H]([NH2+][C@@H]1CC=CCC1)c1ccc(Br)cc1[O-] ZINC000186057185 1117979116 /nfs/dbraw/zinc/97/91/16/1117979116.db2.gz FUOBESQLLRBPFC-CMPLNLGQSA-N 0 1 296.208 3.914 20 0 CHADMN COc1cc(C)nc(CN2CCc3ccccc3[C@@H]2C)c1 ZINC000339820145 1117979157 /nfs/dbraw/zinc/97/91/57/1117979157.db2.gz OZRYKGXHVJIYNU-AWEZNQCLSA-N 0 1 282.387 3.518 20 0 CHADMN C[C@H]([NH2+][C@H]1CC=CCC1)c1cc(Cl)ccc1[O-] ZINC000186056909 1117979286 /nfs/dbraw/zinc/97/92/86/1117979286.db2.gz JHXIDECXTCITMV-JQWIXIFHSA-N 0 1 251.757 3.805 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1ncc(OC)cc1Cl ZINC001238489610 1117982395 /nfs/dbraw/zinc/98/23/95/1117982395.db2.gz SSRXHVQEBRMLNS-GFCCVEGCSA-N 0 1 282.815 3.898 20 0 CHADMN Cc1nc([C@H](C)NCC(C)(C)c2ccc(C)cn2)cs1 ZINC000624111708 1117982614 /nfs/dbraw/zinc/98/26/14/1117982614.db2.gz BUEKOFYFVQPZRK-LBPRGKRZSA-N 0 1 289.448 3.783 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc2n[nH]cc21 ZINC000042024584 1117985482 /nfs/dbraw/zinc/98/54/82/1117985482.db2.gz ANRYAAWNNIRTLZ-LLVKDONJSA-N 0 1 297.333 3.535 20 0 CHADMN COCCC[C@H](C)N[C@H](CCc1ccccc1)C(F)F ZINC000624124546 1117987059 /nfs/dbraw/zinc/98/70/59/1117987059.db2.gz FRZDQKMPUOTORH-DZGCQCFKSA-N 0 1 285.378 3.658 20 0 CHADMN CCC(F)(F)CN[C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000624147499 1117989509 /nfs/dbraw/zinc/98/95/09/1117989509.db2.gz BXHISISJNJKEDW-RYUDHWBXSA-N 0 1 271.351 3.822 20 0 CHADMN CCC(F)(F)CN[C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000624148685 1117989886 /nfs/dbraw/zinc/98/98/86/1117989886.db2.gz LEYSMWOSPFHNTM-UBHSHLNASA-N 0 1 253.336 3.814 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@@H](C)N1CC(C)=C[C@H](C)C1 ZINC000430281035 1117990505 /nfs/dbraw/zinc/99/05/05/1117990505.db2.gz QZYWAUXBMOIUFR-BLLLJJGKSA-N 0 1 286.419 3.528 20 0 CHADMN CCc1nnc(CNC2CCC3(CCCC3)CC2)s1 ZINC000353115741 1117993276 /nfs/dbraw/zinc/99/32/76/1117993276.db2.gz MBSSYZUQSLBWNO-UHFFFAOYSA-N 0 1 279.453 3.693 20 0 CHADMN CCc1c2cc(C)ccc2oc1[C@H](C)NCc1ccnn1C ZINC000181480337 1117999756 /nfs/dbraw/zinc/99/97/56/1117999756.db2.gz HHDVTYFLCSTMOB-ZDUSSCGKSA-N 0 1 297.402 3.888 20 0 CHADMN CCc1nnc(CNCCCC2CCCCC2)s1 ZINC000356519308 1118007653 /nfs/dbraw/zinc/00/76/53/1118007653.db2.gz FMLMPKQYFUCESQ-UHFFFAOYSA-N 0 1 267.442 3.551 20 0 CHADMN Cc1[nH]ncc1CNc1nc2cc(Cl)ccc2s1 ZINC000181941963 1118010115 /nfs/dbraw/zinc/01/01/15/1118010115.db2.gz NYGXLPXDQHOYRQ-UHFFFAOYSA-N 0 1 278.768 3.593 20 0 CHADMN CN(CCC(=O)c1ccccc1)Cc1ccc(F)c(F)c1 ZINC000182033069 1118011784 /nfs/dbraw/zinc/01/17/84/1118011784.db2.gz MOESEUJFJRMZOK-UHFFFAOYSA-N 0 1 289.325 3.670 20 0 CHADMN CCOc1ccnc(N(C)[C@@H](C)c2ccccc2OC)c1 ZINC001167105171 1118017753 /nfs/dbraw/zinc/01/77/53/1118017753.db2.gz DYLJRNVCWABCIB-ZDUSSCGKSA-N 0 1 286.375 3.686 20 0 CHADMN Fc1ccc(C2CCN(C/C=C/Cl)CC2)cc1 ZINC000083690848 1118026885 /nfs/dbraw/zinc/02/68/85/1118026885.db2.gz VKACRCQBKRCXJU-UNXLUWIOSA-N 0 1 253.748 3.758 20 0 CHADMN C[C@@H]1CCCCN(Cc2cc(C(C)(C)C)on2)C1 ZINC000579530670 1128750759 /nfs/dbraw/zinc/75/07/59/1128750759.db2.gz HVGNSZIDKKASNS-GFCCVEGCSA-N 0 1 250.386 3.594 20 0 CHADMN CCCCCNC(=O)CN(C)[C@H](C)c1ccc(C)cc1C ZINC000615463674 1128750849 /nfs/dbraw/zinc/75/08/49/1128750849.db2.gz FZXSEFVMJNGITN-MRXNPFEDSA-N 0 1 290.451 3.603 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)C1CCC1)c1nccn1C ZINC000182815073 1118030264 /nfs/dbraw/zinc/03/02/64/1118030264.db2.gz KCQWSKGMACHMIM-XJKSGUPXSA-N 0 1 269.392 3.612 20 0 CHADMN Cc1nocc1CN(C)[C@H](C)c1ccc(C)cc1C ZINC000295455870 1118036706 /nfs/dbraw/zinc/03/67/06/1118036706.db2.gz VPAWLKPGZQQMRI-CQSZACIVSA-N 0 1 258.365 3.793 20 0 CHADMN C[C@H](N[C@H]1c2cccc(F)c2CC[C@@H]1C)c1nccn1C ZINC000183084481 1118037803 /nfs/dbraw/zinc/03/78/03/1118037803.db2.gz YCOQRLWTLDWZRM-MQIPJXDCSA-N 0 1 287.382 3.533 20 0 CHADMN CC1CCC(COc2ccccc2-c2nnc[nH]2)CC1 ZINC000183265183 1118041046 /nfs/dbraw/zinc/04/10/46/1118041046.db2.gz QMTLBICDLDMVRQ-UHFFFAOYSA-N 0 1 271.364 3.677 20 0 CHADMN CCCCCN(Cc1nc(C(C)C)no1)C(C)C ZINC000047627998 1118042084 /nfs/dbraw/zinc/04/20/84/1118042084.db2.gz NMAWCFRKLBSSDG-UHFFFAOYSA-N 0 1 253.390 3.594 20 0 CHADMN C[C@@H](c1cccnc1)N(C)C/C=C/c1ccccc1 ZINC000183727147 1118048149 /nfs/dbraw/zinc/04/81/49/1118048149.db2.gz CAIXJUWFLPEDOL-VSGCLNPGSA-N 0 1 252.361 3.788 20 0 CHADMN C[C@@H](c1ccncc1)N(C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000183705981 1118048818 /nfs/dbraw/zinc/04/88/18/1118048818.db2.gz XUTWRBBWPFERLT-AWEZNQCLSA-N 0 1 292.386 3.665 20 0 CHADMN C[N@@H+](Cc1ccsc1)Cc1c[nH]nc1-c1ccccc1 ZINC000120462070 1118049909 /nfs/dbraw/zinc/04/99/09/1118049909.db2.gz HTFRVPVMKVSHMV-UHFFFAOYSA-N 0 1 283.400 3.770 20 0 CHADMN CN(Cc1ccsc1)Cc1c[nH]nc1-c1ccccc1 ZINC000120462070 1118049913 /nfs/dbraw/zinc/04/99/13/1118049913.db2.gz HTFRVPVMKVSHMV-UHFFFAOYSA-N 0 1 283.400 3.770 20 0 CHADMN C[C@@H]1CCN(Cc2ccccc2N2CCCCC2)C[C@@H]1F ZINC000779151471 1128753287 /nfs/dbraw/zinc/75/32/87/1128753287.db2.gz YEBLQGQBGTYDRK-WBVHZDCISA-N 0 1 290.426 3.857 20 0 CHADMN c1cncc(CN(C[C@H]2CCC3(CCCC3)O2)C2CC2)c1 ZINC000579618467 1128753387 /nfs/dbraw/zinc/75/33/87/1128753387.db2.gz VRPLLMWOGUNFMW-QGZVFWFLSA-N 0 1 286.419 3.538 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C ZINC000185853257 1118072206 /nfs/dbraw/zinc/07/22/06/1118072206.db2.gz IDIUFFGZLMVNCM-HNNXBMFYSA-N 0 1 274.408 3.588 20 0 CHADMN CCCC[C@@H](C)N(CCCC)C(=O)NCc1cc(C)[nH]n1 ZINC000655572765 1118074673 /nfs/dbraw/zinc/07/46/73/1118074673.db2.gz PPNRELAYKKWWCB-CQSZACIVSA-N 0 1 294.443 3.609 20 0 CHADMN CCN(C(=O)c1cc(C)cc2c[nH]nc21)[C@H]1CCCC[C@@H]1C ZINC000340134376 1118078586 /nfs/dbraw/zinc/07/85/86/1118078586.db2.gz ZCRCHEWRSPKVMD-BBRMVZONSA-N 0 1 299.418 3.912 20 0 CHADMN CC(C)N(C)Cc1cccnc1OCc1ccccc1 ZINC001238771474 1118082114 /nfs/dbraw/zinc/08/21/14/1118082114.db2.gz FZQQRDHCUGTIRD-UHFFFAOYSA-N 0 1 270.376 3.501 20 0 CHADMN CO[C@@H]1CCN(Cc2c(C)cc(F)cc2Cl)[C@H](C)C1 ZINC001238787631 1118083478 /nfs/dbraw/zinc/08/34/78/1118083478.db2.gz MVPXFJSWAFGCPB-DGCLKSJQSA-N 0 1 285.790 3.787 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Cl)cc2Cl)CC[C@H]1O ZINC001203389204 1118083956 /nfs/dbraw/zinc/08/39/56/1118083956.db2.gz YKQLWBFYTIJMQI-IINYFYTJSA-N 0 1 288.218 3.586 20 0 CHADMN CC[C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)N(C)C ZINC000764387050 1118088331 /nfs/dbraw/zinc/08/83/31/1118088331.db2.gz NJWAKHHYTCMDBV-KRWDZBQOSA-N 0 1 297.402 3.709 20 0 CHADMN Fc1cccnc1Nc1cc(-c2ccccc2)no1 ZINC001209804650 1118092022 /nfs/dbraw/zinc/09/20/22/1118092022.db2.gz MLMYRICBJMBPDD-UHFFFAOYSA-N 0 1 255.252 3.619 20 0 CHADMN CO[C@@](C)(CN[C@@H](C)c1nc(C)cs1)c1ccccc1 ZINC000384308044 1118093991 /nfs/dbraw/zinc/09/39/91/1118093991.db2.gz LELUZZUBWDFXQO-BBRMVZONSA-N 0 1 290.432 3.664 20 0 CHADMN COc1cccc(Nc2ccc3nc[nH]c3c2)c1C ZINC001209846610 1118099216 /nfs/dbraw/zinc/09/92/16/1118099216.db2.gz HPUGGDXRJBKOQN-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cc1cnn(-c2ccncc2NCc2ccccc2Cl)c1 ZINC000340196143 1118108255 /nfs/dbraw/zinc/10/82/55/1118108255.db2.gz WQFMIJJHXVCREW-UHFFFAOYSA-N 0 1 298.777 3.841 20 0 CHADMN CCOc1cncc(CNCc2ccc(Cl)c(C)c2)c1 ZINC000621344876 1118111256 /nfs/dbraw/zinc/11/12/56/1118111256.db2.gz WIJREBWJUZNUKN-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN C[C@@H](NCCC1CCCCCC1)c1csnn1 ZINC000398302621 1118122659 /nfs/dbraw/zinc/12/26/59/1118122659.db2.gz NPCMJPWGOOYUHS-LLVKDONJSA-N 0 1 253.415 3.549 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(Cl)c(Cl)cc1O ZINC001209969745 1118122896 /nfs/dbraw/zinc/12/28/96/1118122896.db2.gz PEYIFDLBPKWEEG-UHFFFAOYSA-N 0 1 284.146 3.728 20 0 CHADMN Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@H](O)C(C)C ZINC000340287808 1118132206 /nfs/dbraw/zinc/13/22/06/1118132206.db2.gz LZALBMHCLUFJQU-STQMWFEESA-N 0 1 284.469 3.585 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cccc(OC(C)C)c2)c(C)n1 ZINC000765095742 1118134860 /nfs/dbraw/zinc/13/48/60/1118134860.db2.gz MPMJTHDHZHUAHM-CYBMUJFWSA-N 0 1 299.418 3.731 20 0 CHADMN COc1cccc(-c2nc3ccc(C)c(C)c3[nH]2)c1F ZINC000397405797 1118141044 /nfs/dbraw/zinc/14/10/44/1118141044.db2.gz MRKFNYIHTOTFIT-UHFFFAOYSA-N 0 1 270.307 3.994 20 0 CHADMN Cc1ccc([C@H](O)CN[C@@H](C)c2c(F)cccc2F)cc1 ZINC000765271977 1118142015 /nfs/dbraw/zinc/14/20/15/1118142015.db2.gz QONPLQKFSXVAMG-BLLLJJGKSA-N 0 1 291.341 3.657 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(F)nc2)CC1 ZINC000779158346 1128758460 /nfs/dbraw/zinc/75/84/60/1128758460.db2.gz OKBZDBOVPSHOAP-CQSZACIVSA-N 0 1 264.388 3.869 20 0 CHADMN CC1(CNCc2c(F)c(F)cc(F)c2F)CCC1 ZINC000683436013 1118149921 /nfs/dbraw/zinc/14/99/21/1118149921.db2.gz KLZLPRZSYYQRBC-UHFFFAOYSA-N 0 1 261.262 3.523 20 0 CHADMN Fc1cc(F)cc(-c2n[nH]c(SC/C=C\Cl)n2)c1 ZINC000741855799 1118150453 /nfs/dbraw/zinc/15/04/53/1118150453.db2.gz QCIZCCZUJDXIEU-UPHRSURJSA-N 0 1 287.722 3.595 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000092942266 1118151561 /nfs/dbraw/zinc/15/15/61/1118151561.db2.gz DOOCUKYAFPRVHL-XEZPLFJOSA-N 0 1 275.392 3.666 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000092942262 1118151861 /nfs/dbraw/zinc/15/18/61/1118151861.db2.gz DOOCUKYAFPRVHL-HEHGZKQESA-N 0 1 275.392 3.666 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccnc(Cl)c1C ZINC001210102768 1118152609 /nfs/dbraw/zinc/15/26/09/1118152609.db2.gz SOMRYUQDXSKRPW-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1cnc(Cl)c(CN[C@@H]2CCc3ccccc32)c1 ZINC000921513747 1118153747 /nfs/dbraw/zinc/15/37/47/1118153747.db2.gz PLUPKVQMQGJOCB-OAHLLOKOSA-N 0 1 272.779 3.821 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2cnn(C3CCC3)c2)cc1 ZINC000921515134 1118155005 /nfs/dbraw/zinc/15/50/05/1118155005.db2.gz YXZZKGPOUKMXNL-CQSZACIVSA-N 0 1 299.418 3.858 20 0 CHADMN Cc1nc2c(n1Cc1ccc(F)cc1C)CCCC2 ZINC000128429327 1118156459 /nfs/dbraw/zinc/15/64/59/1118156459.db2.gz CBMQTIWDHZLNAU-UHFFFAOYSA-N 0 1 258.340 3.566 20 0 CHADMN Cc1ccc(NC(=O)CN2CCC[C@@H]2c2ccccc2)cc1 ZINC000010310973 1118158987 /nfs/dbraw/zinc/15/89/87/1118158987.db2.gz DIBKVPVUSDKMGN-GOSISDBHSA-N 0 1 294.398 3.771 20 0 CHADMN Cc1cc(C)cc(NC(=O)c2cc(-c3ccccc3)n[nH]2)c1 ZINC000015425218 1118165846 /nfs/dbraw/zinc/16/58/46/1118165846.db2.gz JUIXJUIMNZOSRY-UHFFFAOYSA-N 0 1 291.354 3.946 20 0 CHADMN CCC(CC)[C@@H](NCc1cncc(OC)n1)c1ccccc1 ZINC000625286438 1118174382 /nfs/dbraw/zinc/17/43/82/1118174382.db2.gz LSWBIBJRDWFZFS-GOSISDBHSA-N 0 1 299.418 3.752 20 0 CHADMN CC(C)c1cccc(NC(=O)Cc2n[nH]c3c2CCCC3)c1 ZINC000188286681 1128760647 /nfs/dbraw/zinc/76/06/47/1128760647.db2.gz OWYAKNKVCLCCOT-UHFFFAOYSA-N 0 1 297.402 3.593 20 0 CHADMN CCCN(CCC)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000021970932 1118176984 /nfs/dbraw/zinc/17/69/84/1118176984.db2.gz RXZMRPSLZVFVAT-UHFFFAOYSA-N 0 1 285.391 3.647 20 0 CHADMN CC[C@H]1CCCCN1CC(=O)Nc1c(C)cccc1C ZINC000023991219 1118180782 /nfs/dbraw/zinc/18/07/82/1118180782.db2.gz UZQFINUQQZMKFA-HNNXBMFYSA-N 0 1 274.408 3.506 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cccc(C)c1O ZINC001210189027 1118182664 /nfs/dbraw/zinc/18/26/64/1118182664.db2.gz WEUQVOANIZWVHW-UHFFFAOYSA-N 0 1 271.295 3.539 20 0 CHADMN Cc1cc([C@@H](C)NCC2(C(F)(F)F)CCCC2)no1 ZINC000624272672 1118186459 /nfs/dbraw/zinc/18/64/59/1118186459.db2.gz OBYYAOAQXZDEBT-SNVBAGLBSA-N 0 1 276.302 3.756 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCCn3ccnc32)c(C)s1 ZINC000655698335 1118187501 /nfs/dbraw/zinc/18/75/01/1118187501.db2.gz UXEIUZUAHDGDSI-BXUZGUMPSA-N 0 1 275.421 3.747 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2coc(-c3cccs3)n2)CS1 ZINC000655700716 1118188403 /nfs/dbraw/zinc/18/84/03/1118188403.db2.gz NZPKBANXIJAYKZ-GHMZBOCLSA-N 0 1 294.445 3.777 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@H]1CCc2cc(C)ccc21 ZINC000765666876 1118188876 /nfs/dbraw/zinc/18/88/76/1118188876.db2.gz ROUJCCLJZNANAD-SFHVURJKSA-N 0 1 296.414 3.793 20 0 CHADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C(C)(C)C ZINC000615814856 1128765323 /nfs/dbraw/zinc/76/53/23/1128765323.db2.gz ZCVGZDHEOZWLIO-VIFPVBQESA-N 0 1 293.798 3.782 20 0 CHADMN CC1(C)CO[C@@H](CN[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000634686248 1118191863 /nfs/dbraw/zinc/19/18/63/1118191863.db2.gz GNXZZQZYDFSTPY-AEFFLSMTSA-N 0 1 296.414 3.576 20 0 CHADMN Cc1nn(-c2ccc(C)cc2)cc1CNCc1ccoc1C ZINC000655715652 1118192186 /nfs/dbraw/zinc/19/21/86/1118192186.db2.gz MOGIUTHRNGGFLD-UHFFFAOYSA-N 0 1 295.386 3.680 20 0 CHADMN Cc1cc2c(c(C)c1)[C@H](NCc1ccc(F)cn1)CC2 ZINC000655723528 1118193935 /nfs/dbraw/zinc/19/39/35/1118193935.db2.gz LDRLNWBVKPJYES-MRXNPFEDSA-N 0 1 270.351 3.615 20 0 CHADMN Cc1cc2c(c(C)c1)[C@H](N[C@H](C)c1n[nH]c(C(C)C)n1)CC2 ZINC000655736419 1118197937 /nfs/dbraw/zinc/19/79/37/1118197937.db2.gz GSMJTCAVLXFYAB-UKRRQHHQSA-N 0 1 298.434 3.883 20 0 CHADMN C[C@H]1CCc2ccccc2[C@@H]1NCc1cc2n(n1)CCCC2 ZINC000655753800 1118201710 /nfs/dbraw/zinc/20/17/10/1118201710.db2.gz FNEOKIXDVLZPPZ-IFXJQAMLSA-N 0 1 295.430 3.633 20 0 CHADMN Cc1cc2c(c(C)c1)[C@H](N[C@@H](CCO)c1ccco1)CC2 ZINC000655756649 1118203698 /nfs/dbraw/zinc/20/36/98/1118203698.db2.gz IKFHWTSMIVSGNI-JKSUJKDBSA-N 0 1 285.387 3.597 20 0 CHADMN Cc1cc2c(c(C)c1)[C@@H](N[C@H](CO)c1ccsc1)CC2 ZINC000655757183 1118204328 /nfs/dbraw/zinc/20/43/28/1118204328.db2.gz PEHCOOSSLCFZOY-JKSUJKDBSA-N 0 1 287.428 3.675 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@H]1CCCc2sccc21 ZINC000655757834 1118204728 /nfs/dbraw/zinc/20/47/28/1118204728.db2.gz YFRXHYZQSOMPJM-FZMZJTMJSA-N 0 1 273.405 3.575 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1cnn(CC2CCC2)c1 ZINC000921614124 1118205962 /nfs/dbraw/zinc/20/59/62/1118205962.db2.gz NJVWFDIUSBCCFC-GOSISDBHSA-N 0 1 299.393 3.599 20 0 CHADMN CCc1cc(CN[C@@H](c2ccc(F)cc2)C2CC2)on1 ZINC000538112161 1118206632 /nfs/dbraw/zinc/20/66/32/1118206632.db2.gz BVBKCCKAOKNMAH-MRXNPFEDSA-N 0 1 274.339 3.617 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H]1CCc2cc(C)cc(C)c21 ZINC000655772633 1118208059 /nfs/dbraw/zinc/20/80/59/1118208059.db2.gz QLGVLZXJXUYUOL-HOCLYGCPSA-N 0 1 283.419 3.858 20 0 CHADMN CC[C@@H](N[C@H](C)c1cncnc1C)c1ccccc1F ZINC000655783324 1118212401 /nfs/dbraw/zinc/21/24/01/1118212401.db2.gz BWDDLMXDXQSVDF-MLGOLLRUSA-N 0 1 273.355 3.726 20 0 CHADMN CC[C@@H](NCc1cnn(C(C)C)c1)c1ccccc1F ZINC000655805800 1118216201 /nfs/dbraw/zinc/21/62/01/1118216201.db2.gz LOLHWHWEZWIVFZ-MRXNPFEDSA-N 0 1 275.371 3.844 20 0 CHADMN COc1c(C)cccc1CN[C@H]1CCCc2occc21 ZINC000655810712 1118217751 /nfs/dbraw/zinc/21/77/51/1118217751.db2.gz FYRKXMNVWRJXMS-HNNXBMFYSA-N 0 1 271.360 3.764 20 0 CHADMN COc1c(C)cccc1CN[C@@H](C)c1sc(C)nc1C ZINC000655810587 1118219924 /nfs/dbraw/zinc/21/99/24/1118219924.db2.gz MRAVMAWQNLKENU-NSHDSACASA-N 0 1 290.432 3.928 20 0 CHADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)CC1CC1 ZINC000615812749 1128763709 /nfs/dbraw/zinc/76/37/09/1128763709.db2.gz KVKVGHLHUHXFRE-SECBINFHSA-N 0 1 291.782 3.536 20 0 CHADMN CN(Cc1coc(C(C)(C)C)n1)C1CCCCC1 ZINC000929210914 1128763767 /nfs/dbraw/zinc/76/37/67/1128763767.db2.gz CANQEVAUIKKMAS-UHFFFAOYSA-N 0 1 250.386 3.737 20 0 CHADMN O=C(Nc1ccc(Cl)cc1F)c1cccc2cn[nH]c21 ZINC000039555675 1118228945 /nfs/dbraw/zinc/22/89/45/1118228945.db2.gz BITIKEDPUDGBHM-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN C[C@H]1CCCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000041362697 1118229964 /nfs/dbraw/zinc/22/99/64/1118229964.db2.gz DQPKTLDLODGQLX-ZDUSSCGKSA-N 0 1 256.349 3.574 20 0 CHADMN O=C(Nc1ccc(O)c(Cl)c1)c1cc(Cl)ccc1O ZINC000085204412 1118230885 /nfs/dbraw/zinc/23/08/85/1118230885.db2.gz HHUBQWKHWYXRAP-UHFFFAOYSA-N 0 1 298.125 3.657 20 0 CHADMN Cc1c(Br)cncc1CN1CCC[C@H](C)CC1 ZINC001204498264 1118231386 /nfs/dbraw/zinc/23/13/86/1118231386.db2.gz YGJNGGKDESWLFT-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(C)cnc2Cl)cc1 ZINC000921623295 1118232247 /nfs/dbraw/zinc/23/22/47/1118232247.db2.gz VFJAIPRQRKGRHH-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2ccnn2C2CCC2)c1 ZINC000921623642 1118233075 /nfs/dbraw/zinc/23/30/75/1118233075.db2.gz JVQUJLUPPPLOJW-CQSZACIVSA-N 0 1 299.418 3.858 20 0 CHADMN C/C(Cl)=C/C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC001626051573 1118235330 /nfs/dbraw/zinc/23/53/30/1118235330.db2.gz RQVMSZSHSZLGHD-CLFYSBASSA-N 0 1 289.766 3.912 20 0 CHADMN CC[C@@H](C)N(C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000104686912 1118236400 /nfs/dbraw/zinc/23/64/00/1118236400.db2.gz LSWNZZJBDIIRQU-CYBMUJFWSA-N 0 1 276.424 3.653 20 0 CHADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cscn1 ZINC000172329378 1118239198 /nfs/dbraw/zinc/23/91/98/1118239198.db2.gz MXOMOONCPOHQFU-DGCLKSJQSA-N 0 1 276.380 3.660 20 0 CHADMN CC[C@@H](C)C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615812198 1128765461 /nfs/dbraw/zinc/76/54/61/1128765461.db2.gz GVXAQQTWFUZFKI-ZJUUUORDSA-N 0 1 293.798 3.782 20 0 CHADMN CC[C@H](NCc1ncc(C(C)(C)C)s1)[C@H]1CCCCO1 ZINC000655855661 1118245387 /nfs/dbraw/zinc/24/53/87/1118245387.db2.gz GCFTUAWYIPITJZ-QWHCGFSZSA-N 0 1 296.480 3.878 20 0 CHADMN Clc1cnccc1CN[C@H]1CCCc2ccccc21 ZINC000088781183 1118249892 /nfs/dbraw/zinc/24/98/92/1118249892.db2.gz CXCFAIHTJGZQPR-INIZCTEOSA-N 0 1 272.779 3.902 20 0 CHADMN CCc1noc(C)c1CN[C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000340441656 1118251416 /nfs/dbraw/zinc/25/14/16/1118251416.db2.gz HBJGRPMLWHCKRY-DYZYQPBXSA-N 0 1 288.366 3.708 20 0 CHADMN Cc1nc(C)c(CNCc2cc(F)cc(Cl)c2)s1 ZINC000274936969 1118253616 /nfs/dbraw/zinc/25/36/16/1118253616.db2.gz AAXPJKKDGBZSQK-UHFFFAOYSA-N 0 1 284.787 3.842 20 0 CHADMN C[C@@H]1CCCN(Cc2ncc(C(C)(C)C)o2)[C@@H]1C ZINC000409445198 1118255243 /nfs/dbraw/zinc/25/52/43/1118255243.db2.gz SGSAMPLHCYEVFD-VXGBXAGGSA-N 0 1 250.386 3.593 20 0 CHADMN Cc1ccc([C@@H](C)N(C)C(=O)c2cccc3c[nH]nc32)cc1 ZINC000045418172 1118255508 /nfs/dbraw/zinc/25/55/08/1118255508.db2.gz XUYCAOJSAXFCIJ-CYBMUJFWSA-N 0 1 293.370 3.705 20 0 CHADMN CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@@H]1CCCO1 ZINC000186181660 1118261088 /nfs/dbraw/zinc/26/10/88/1118261088.db2.gz XHNYFLGYFGKIQL-XEGUGMAKSA-N 0 1 283.799 3.654 20 0 CHADMN CC[C@@H](NCc1nc(C(C)C)n2ccccc12)C(F)F ZINC000568033707 1118275264 /nfs/dbraw/zinc/27/52/64/1118275264.db2.gz XAYXOUSECHHQDM-LLVKDONJSA-N 0 1 281.350 3.591 20 0 CHADMN Clc1ccc(CNCc2ccc3occc3c2)o1 ZINC000671706497 1118276174 /nfs/dbraw/zinc/27/61/74/1118276174.db2.gz GRHQIOJKRYPWQC-UHFFFAOYSA-N 0 1 261.708 3.969 20 0 CHADMN Fc1ccc(CN[C@H]2CCc3c2cccc3Cl)cn1 ZINC000189015651 1128767094 /nfs/dbraw/zinc/76/70/94/1128767094.db2.gz VRQWVDYROWTNDP-AWEZNQCLSA-N 0 1 276.742 3.651 20 0 CHADMN Cc1ccsc1CN(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000057290535 1118279180 /nfs/dbraw/zinc/27/91/80/1118279180.db2.gz TZCPZAUKTBZBGL-UHFFFAOYSA-N 0 1 295.791 3.688 20 0 CHADMN Cc1ccccc1-c1nc(=NC[C@@H](C)CC(F)F)s[nH]1 ZINC000624329167 1118284214 /nfs/dbraw/zinc/28/42/14/1118284214.db2.gz NXKBTRVPCHSIPZ-VIFPVBQESA-N 0 1 297.374 3.639 20 0 CHADMN C[N@@H+](Cc1cscn1)CC12CC3CC(CC(C3)C1)C2 ZINC000057979441 1118286508 /nfs/dbraw/zinc/28/65/08/1118286508.db2.gz NTBVGWOKRAWTJE-UHFFFAOYSA-N 0 1 276.449 3.791 20 0 CHADMN CN(Cc1cscn1)CC12CC3CC(CC(C3)C1)C2 ZINC000057979441 1118286511 /nfs/dbraw/zinc/28/65/11/1118286511.db2.gz NTBVGWOKRAWTJE-UHFFFAOYSA-N 0 1 276.449 3.791 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F)C(C)(C)C ZINC000399723753 1118288831 /nfs/dbraw/zinc/28/88/31/1118288831.db2.gz JHMLTBKFRAPBCW-LLVKDONJSA-N 0 1 281.371 3.638 20 0 CHADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)c1cccc2ccccc21 ZINC001125393895 1118290970 /nfs/dbraw/zinc/29/09/70/1118290970.db2.gz IFWCNNAFECMRBT-GOSISDBHSA-N 0 1 296.414 3.675 20 0 CHADMN Cc1cccc(C)c1CNCc1ccc(Br)o1 ZINC000383235383 1118294957 /nfs/dbraw/zinc/29/49/57/1118294957.db2.gz CAICKQJRJPDVAX-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN c1ccc(CCCSc2nc(-c3cccnc3)n[nH]2)cc1 ZINC000059885226 1118295515 /nfs/dbraw/zinc/29/55/15/1118295515.db2.gz AYNCHMRPECEINV-UHFFFAOYSA-N 0 1 296.399 3.592 20 0 CHADMN CCC(C)(C)NC(=O)CN(Cc1ccc(C)s1)C(C)C ZINC000060042087 1118296795 /nfs/dbraw/zinc/29/67/95/1118296795.db2.gz HRKQSXXDESPGNQ-UHFFFAOYSA-N 0 1 296.480 3.572 20 0 CHADMN CC(C)CCN1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000642760075 1118301768 /nfs/dbraw/zinc/30/17/68/1118301768.db2.gz VNNJWKWAFNIMFH-UHFFFAOYSA-N 0 1 294.483 3.537 20 0 CHADMN CCCN(CCC)C(=O)CN(C)[C@H](C)c1ccc(C)cc1 ZINC000061255438 1118305473 /nfs/dbraw/zinc/30/54/73/1118305473.db2.gz CEGOHDOTEVWCNF-MRXNPFEDSA-N 0 1 290.451 3.636 20 0 CHADMN COCC(C)(C)CN(C)Cc1cc(Cl)ccc1F ZINC000683718707 1118306976 /nfs/dbraw/zinc/30/69/76/1118306976.db2.gz LYEJKUJWOGJGCA-UHFFFAOYSA-N 0 1 273.779 3.584 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc2cccc(F)c2o1)c1cn[nH]c1 ZINC000340499058 1118307721 /nfs/dbraw/zinc/30/77/21/1118307721.db2.gz NMULGZWLOMTVIA-ZJUUUORDSA-N 0 1 273.311 3.707 20 0 CHADMN O=C(CC1CC1)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000340513853 1118313923 /nfs/dbraw/zinc/31/39/23/1118313923.db2.gz WEPUPOJVKIFKCT-UHFFFAOYSA-N 0 1 281.315 3.562 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cc(C)c(C)o2)c1 ZINC000282264933 1118315259 /nfs/dbraw/zinc/31/52/59/1118315259.db2.gz RBNKWARWQVRZEG-LBPRGKRZSA-N 0 1 259.349 3.756 20 0 CHADMN C[C@H](Nc1ncnc2[nH]cnc21)c1cccc2ccccc21 ZINC000047509315 1118315204 /nfs/dbraw/zinc/31/52/04/1118315204.db2.gz NPQXVBRGVGUJHC-NSHDSACASA-N 0 1 289.342 3.679 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2C[C@H]1C)c1ccncc1F ZINC000340517519 1118315250 /nfs/dbraw/zinc/31/52/50/1118315250.db2.gz CJMQQHMDJMWQBW-BWACUDIHSA-N 0 1 270.351 3.805 20 0 CHADMN Fc1ccc2oc(CN3CCC4(CCC4)CC3)nc2c1 ZINC000671728825 1118316220 /nfs/dbraw/zinc/31/62/20/1118316220.db2.gz KVROZNIRYFWARG-UHFFFAOYSA-N 0 1 274.339 3.733 20 0 CHADMN CN(CCc1ccccc1F)Cc1cc(F)ccc1F ZINC001167332614 1118317887 /nfs/dbraw/zinc/31/78/87/1118317887.db2.gz PDBXILQCIYPPQX-UHFFFAOYSA-N 0 1 279.305 3.778 20 0 CHADMN COc1cccc(CNCc2ccc3[nH]c(C)cc3c2)c1F ZINC000671730918 1118317876 /nfs/dbraw/zinc/31/78/76/1118317876.db2.gz LWMROWVSRHWYMY-UHFFFAOYSA-N 0 1 298.361 3.914 20 0 CHADMN c1ccc2c(c1)CC[C@@H]2Sc1nc(-c2cccnc2)n[nH]1 ZINC000683737935 1118323011 /nfs/dbraw/zinc/32/30/11/1118323011.db2.gz DDFZRBUPWADWDB-AWEZNQCLSA-N 0 1 294.383 3.646 20 0 CHADMN CCCCN1C(=O)N=NC1S[C@H]1CCc2ccccc21 ZINC000683737842 1118323186 /nfs/dbraw/zinc/32/31/86/1118323186.db2.gz WNLLJVZUBURKNO-ZDUSSCGKSA-N 0 1 289.404 3.563 20 0 CHADMN Cc1ncc(CN(C)CCCOc2ccccc2C)s1 ZINC000064142843 1118323340 /nfs/dbraw/zinc/32/33/40/1118323340.db2.gz PNEYEERKGGRJAR-UHFFFAOYSA-N 0 1 290.432 3.661 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2c2ccccc2C)oc1C ZINC000064142650 1118323456 /nfs/dbraw/zinc/32/34/56/1118323456.db2.gz VHRSNTOCKNRXDW-MRXNPFEDSA-N 0 1 270.376 3.937 20 0 CHADMN Cc1cc(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)sn1 ZINC000639227892 1118326356 /nfs/dbraw/zinc/32/63/56/1118326356.db2.gz MMWUAENZEZGEPF-NXEZZACHSA-N 0 1 278.343 3.614 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]1F)CCS2 ZINC000340534233 1118326445 /nfs/dbraw/zinc/32/64/45/1118326445.db2.gz ZBPHMWCCNQXSNG-JHJVBQTASA-N 0 1 269.360 3.843 20 0 CHADMN CN(Cc1ccc(F)cc1Br)C1CCCC1 ZINC000042229679 1118331087 /nfs/dbraw/zinc/33/10/87/1118331087.db2.gz LPZSWVYWKAPSKD-UHFFFAOYSA-N 0 1 286.188 3.963 20 0 CHADMN CSc1ccc(CN[C@@H](C)c2cc(C)ccn2)cc1 ZINC000671742945 1118331300 /nfs/dbraw/zinc/33/13/00/1118331300.db2.gz RYVLLHYULGZUKO-ZDUSSCGKSA-N 0 1 272.417 3.963 20 0 CHADMN CN(CCc1ccc(F)cc1)Cc1cccc(F)c1F ZINC000065595711 1118335937 /nfs/dbraw/zinc/33/59/37/1118335937.db2.gz IGUWWYKBQCAANP-UHFFFAOYSA-N 0 1 279.305 3.778 20 0 CHADMN c1cc(-c2cc(-c3nc([C@@H]4CCC[C@@H]5C[C@@H]54)no3)[nH]n2)co1 ZINC000656047665 1118338339 /nfs/dbraw/zinc/33/83/39/1118338339.db2.gz PVXBUPMIDBGNQR-JLLWLGSASA-N 0 1 296.330 3.623 20 0 CHADMN COc1ccc(-c2nc(CN3CCC[C@@H](C)C3)co2)cc1 ZINC000042737491 1118338510 /nfs/dbraw/zinc/33/85/10/1118338510.db2.gz VMGIDODVWQFETN-CYBMUJFWSA-N 0 1 286.375 3.582 20 0 CHADMN COc1ccccc1-c1nc(CN(C)CC(C)C)cs1 ZINC000065961496 1118341138 /nfs/dbraw/zinc/34/11/38/1118341138.db2.gz ZNLHNJQHLMWPKQ-UHFFFAOYSA-N 0 1 290.432 3.907 20 0 CHADMN CCCCN(CC)C(=O)CN1CCC[C@H]1c1cccs1 ZINC000066562775 1118346511 /nfs/dbraw/zinc/34/65/11/1118346511.db2.gz DTHYGSMEJUUCQZ-AWEZNQCLSA-N 0 1 294.464 3.534 20 0 CHADMN Cc1cccc(CN2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1 ZINC000063581508 1118348953 /nfs/dbraw/zinc/34/89/53/1118348953.db2.gz KVIQSNGVFFIJCE-LPHOPBHVSA-N 0 1 281.399 3.957 20 0 CHADMN Cc1occc1CNCc1cccc(Br)c1 ZINC000067218064 1118351098 /nfs/dbraw/zinc/35/10/98/1118351098.db2.gz LYMPUMAEHJUFBB-UHFFFAOYSA-N 0 1 280.165 3.640 20 0 CHADMN c1coc(CCNCc2csc(-c3cccs3)n2)c1 ZINC000067131351 1118351248 /nfs/dbraw/zinc/35/12/48/1118351248.db2.gz UQWMRLIZECMOFA-UHFFFAOYSA-N 0 1 290.413 3.797 20 0 CHADMN Clc1ccc(CNCc2ccc3cnccc3c2)nc1 ZINC000683774458 1118355267 /nfs/dbraw/zinc/35/52/67/1118355267.db2.gz VARPLWIQLSQWQH-UHFFFAOYSA-N 0 1 283.762 3.573 20 0 CHADMN CC(C)C[C@@H](C)CC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000067905658 1118357202 /nfs/dbraw/zinc/35/72/02/1118357202.db2.gz MELYCMOGBBXPFN-HIFRSBDPSA-N 0 1 296.480 3.539 20 0 CHADMN CC(C)c1cc(=O)n(Cc2cccc(Br)c2)[nH]1 ZINC000116605611 1118361629 /nfs/dbraw/zinc/36/16/29/1118361629.db2.gz QPVCNNVJVGUFBK-UHFFFAOYSA-N 0 1 295.180 3.523 20 0 CHADMN Cc1cc(C)n(-c2ccc(CN(C)Cc3ccco3)cc2)n1 ZINC000071089639 1118372857 /nfs/dbraw/zinc/37/28/57/1118372857.db2.gz BZAFWVAMLCPSJZ-UHFFFAOYSA-N 0 1 295.386 3.714 20 0 CHADMN COc1ccc(Br)cc1CN1[C@H](C)CC[C@H]1C ZINC000706443537 1118374190 /nfs/dbraw/zinc/37/41/90/1118374190.db2.gz NQSYEHMMLHXJEG-GHMZBOCLSA-N 0 1 298.224 3.831 20 0 CHADMN CO[C@@H](CNCc1nc(-c2ccccc2)cs1)C(C)C ZINC000072924686 1118376625 /nfs/dbraw/zinc/37/66/25/1118376625.db2.gz CHPKFNOWTXRJOT-HNNXBMFYSA-N 0 1 290.432 3.571 20 0 CHADMN COc1cccc([C@@H](C)N[C@@H](C)c2cncc(F)c2)c1 ZINC000222236107 1118379089 /nfs/dbraw/zinc/37/90/89/1118379089.db2.gz OVJZYBPTUGONNS-NEPJUHHUSA-N 0 1 274.339 3.641 20 0 CHADMN CC(C)[N@@H+](CCCCCC(=O)[O-])Cc1cccs1 ZINC000083679484 1118382362 /nfs/dbraw/zinc/38/23/62/1118382362.db2.gz ITOWPWRYJFSNTK-UHFFFAOYSA-N 0 1 269.410 3.604 20 0 CHADMN CCCC[C@H](CC)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000073966574 1118385386 /nfs/dbraw/zinc/38/53/86/1118385386.db2.gz DXQPKPBJDIEFIV-UONOGXRCSA-N 0 1 296.480 3.683 20 0 CHADMN Clc1ccc(-c2noc([C@@H]3CCCCCN3)n2)cc1 ZINC000083883048 1118386570 /nfs/dbraw/zinc/38/65/70/1118386570.db2.gz GYYQZBLRYXFSSK-LBPRGKRZSA-N 0 1 277.755 3.595 20 0 CHADMN Cc1ccc(CN2CCC(F)(F)[C@@H](C)C2)cc1F ZINC000580136472 1118388223 /nfs/dbraw/zinc/38/82/23/1118388223.db2.gz ZUPJTQUXQBSGRX-NSHDSACASA-N 0 1 257.299 3.611 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000111242581 1118389772 /nfs/dbraw/zinc/38/97/72/1118389772.db2.gz QYBXNUOSYRXQIG-DGCLKSJQSA-N 0 1 295.345 3.542 20 0 CHADMN c1cc2c(s1)CCN(Cc1ccc3cnccc3c1)C2 ZINC000683825201 1118390862 /nfs/dbraw/zinc/39/08/62/1118390862.db2.gz YOTGSJLFOKRZJE-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN CCCCN(Cc1nc(-c2cccs2)no1)C1CC1 ZINC000046773080 1118394818 /nfs/dbraw/zinc/39/48/18/1118394818.db2.gz XCPKIYYCXPPGCW-UHFFFAOYSA-N 0 1 277.393 3.563 20 0 CHADMN CCN(Cc1oc(C)nc1C)[C@H](C)c1cccc(OC)c1 ZINC000683897814 1118432505 /nfs/dbraw/zinc/43/25/05/1118432505.db2.gz CJOKPMBBWDPAAQ-CYBMUJFWSA-N 0 1 288.391 3.883 20 0 CHADMN c1ccc2sc(CN3CC[C@H](c4ccncc4)C3)nc2c1 ZINC000580396629 1118444682 /nfs/dbraw/zinc/44/46/82/1118444682.db2.gz VQFVZMRONPGNEW-AWEZNQCLSA-N 0 1 295.411 3.681 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000683926890 1118446137 /nfs/dbraw/zinc/44/61/37/1118446137.db2.gz JCCHUDNEGAISJJ-MRXNPFEDSA-N 0 1 293.370 3.755 20 0 CHADMN Cc1cc(CN2CC[C@H](C(=O)c3ccccc3)C2)oc1C ZINC001204539332 1118455913 /nfs/dbraw/zinc/45/59/13/1118455913.db2.gz OEOIHZFELOAEMG-INIZCTEOSA-N 0 1 283.371 3.601 20 0 CHADMN CCN(Cc1cc(C)c(C)o1)Cc1ccc(OC)cc1 ZINC001204539950 1118458502 /nfs/dbraw/zinc/45/85/02/1118458502.db2.gz UJPMQSYWWUCWKM-UHFFFAOYSA-N 0 1 273.376 3.927 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1C(=O)c1cnc(C(C)C)[nH]1 ZINC000073678741 1118459308 /nfs/dbraw/zinc/45/93/08/1118459308.db2.gz CXFCMJDOZQSTST-MRXNPFEDSA-N 0 1 297.402 3.683 20 0 CHADMN Cc1ccc(CN2CCC(Nc3cccc(C)c3)CC2)nc1 ZINC000125673467 1118461295 /nfs/dbraw/zinc/46/12/95/1118461295.db2.gz IAMCKPNCVFBSFL-UHFFFAOYSA-N 0 1 295.430 3.775 20 0 CHADMN CC(C)(C)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000307803561 1118469633 /nfs/dbraw/zinc/46/96/33/1118469633.db2.gz CVUZYKOLLQBTHF-LLVKDONJSA-N 0 1 281.421 3.704 20 0 CHADMN CCCCCc1cc(C(=O)N2[C@@H](C)CCC2(C)C)n[nH]1 ZINC000616178849 1128779625 /nfs/dbraw/zinc/77/96/25/1128779625.db2.gz HLWVWXCRJXEOCJ-LBPRGKRZSA-N 0 1 277.412 3.546 20 0 CHADMN CC(C)c1ccc([C@@H](C)[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000263147837 1118475335 /nfs/dbraw/zinc/47/53/35/1118475335.db2.gz FCVPZNCPMMBFAV-CPUCHLNUSA-N 0 1 289.419 3.914 20 0 CHADMN CCCCC1CCC(c2nc([C@H]3CCCN3)no2)CC1 ZINC000071396515 1118482232 /nfs/dbraw/zinc/48/22/32/1118482232.db2.gz HIVKBQYBOZDXNA-JXQTWKCFSA-N 0 1 277.412 3.958 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H]2c3cc(C)ccc3C[C@H]2C)c1 ZINC000926117077 1118493158 /nfs/dbraw/zinc/49/31/58/1118493158.db2.gz NXVCNNZTMVUJOM-TYILLQQXSA-N 0 1 296.414 3.983 20 0 CHADMN CC(C)C1CC(N[C@@H](c2nccn2C)c2ccccc2)C1 ZINC000580750122 1118500748 /nfs/dbraw/zinc/50/07/48/1118500748.db2.gz KRPYYIFUVBIOJY-OFLPRAFFSA-N 0 1 283.419 3.534 20 0 CHADMN CC(C)OCCN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000048043230 1118506573 /nfs/dbraw/zinc/50/65/73/1118506573.db2.gz PLKHTWPAFHTOSZ-CJNGLKHVSA-N 0 1 277.408 3.792 20 0 CHADMN CC[C@@H]1CCCN(Cc2nc(-c3cccc(C)c3)no2)C1 ZINC000048057973 1118506881 /nfs/dbraw/zinc/50/68/81/1118506881.db2.gz LCHYVNOYVOSCAF-CQSZACIVSA-N 0 1 285.391 3.667 20 0 CHADMN C[C@@H]1CC[N@@H+](C/C=C\c2ccc(Cl)cc2)[C@@H](C(=O)[O-])C1 ZINC000580899022 1118518305 /nfs/dbraw/zinc/51/83/05/1118518305.db2.gz XSHYDKHISYIFMA-QADGWQRPSA-N 0 1 293.794 3.538 20 0 CHADMN CCC(CC)(CC)c1nc(-c2ccn3cncc3c2)no1 ZINC000684118127 1118525881 /nfs/dbraw/zinc/52/58/81/1118525881.db2.gz LXMZXUQHTCWGPQ-UHFFFAOYSA-N 0 1 284.363 3.852 20 0 CHADMN Cc1ccc(C2(c3nc(C4(N)CCCC4)no3)CCC2)cc1 ZINC000647138199 1118528221 /nfs/dbraw/zinc/52/82/21/1118528221.db2.gz WUEALDXQJBQBAT-UHFFFAOYSA-N 0 1 297.402 3.576 20 0 CHADMN Cc1cccc(C)c1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000352410630 1118530786 /nfs/dbraw/zinc/53/07/86/1118530786.db2.gz SCTJRDXUQWFPBY-OAHLLOKOSA-N 0 1 289.810 3.600 20 0 CHADMN C[C@H](CC(C)(C)C)N[C@@H](c1nccn1C)c1ccccc1 ZINC000580992392 1118532652 /nfs/dbraw/zinc/53/26/52/1118532652.db2.gz WITJCJKNAVRFDW-GDBMZVCRSA-N 0 1 285.435 3.924 20 0 CHADMN Cc1cc(OCc2ncc(-c3ccccc3)o2)cc(C)n1 ZINC000128149568 1118537480 /nfs/dbraw/zinc/53/74/80/1118537480.db2.gz CWDZNVSDFWALEJ-UHFFFAOYSA-N 0 1 280.327 3.932 20 0 CHADMN N#Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1O ZINC000189756095 1128784485 /nfs/dbraw/zinc/78/44/85/1128784485.db2.gz WRIWRCMNISLOJW-UHFFFAOYSA-N 0 1 288.306 3.669 20 0 CHADMN Cc1ccc2sc(-c3nc([C@@H]4CCCN4)no3)cc2c1 ZINC000647145383 1118546901 /nfs/dbraw/zinc/54/69/01/1118546901.db2.gz UTUNZYIPPMPAEA-NSHDSACASA-N 0 1 285.372 3.684 20 0 CHADMN CCC(CC)(c1nc([C@@H]2CCCN2)no1)c1ccccc1 ZINC000647149076 1118553648 /nfs/dbraw/zinc/55/36/48/1118553648.db2.gz DCGJAKHYAYTKCT-AWEZNQCLSA-N 0 1 285.391 3.600 20 0 CHADMN CC[C@H](N[C@@H](CO)c1ccsc1)c1cccc(OC)c1 ZINC000349378635 1118555482 /nfs/dbraw/zinc/55/54/82/1118555482.db2.gz LPNJHJCHBYVUMF-HOTGVXAUSA-N 0 1 291.416 3.531 20 0 CHADMN Cc1cccc2nc(-c3ccc(O[C@H]4CCOC4)cc3)[nH]c21 ZINC000656485034 1118563982 /nfs/dbraw/zinc/56/39/82/1118563982.db2.gz JCKQLHOAQKINBV-HNNXBMFYSA-N 0 1 294.354 3.706 20 0 CHADMN COc1ccc2c(c1OC)CCN(Cc1ccccc1C)C2 ZINC000340976009 1118565182 /nfs/dbraw/zinc/56/51/82/1118565182.db2.gz RFAJOZAKPNWEJF-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN c1ccc2c(c1)CSC[C@@H]2NCc1ccc2c(n1)CCC2 ZINC000656492292 1118565761 /nfs/dbraw/zinc/56/57/61/1118565761.db2.gz PMOJRMDSSCSXHL-SFHVURJKSA-N 0 1 296.439 3.648 20 0 CHADMN COc1cc(C)ccc1CNCc1ccc(C(F)F)nc1 ZINC000631087803 1118571066 /nfs/dbraw/zinc/57/10/66/1118571066.db2.gz GLGASJNRWAYDGT-UHFFFAOYSA-N 0 1 292.329 3.626 20 0 CHADMN Cc1ncc(C(=O)N(C)[C@@H]2CCCC[C@@H]2c2ccccc2)[nH]1 ZINC000616328319 1128786562 /nfs/dbraw/zinc/78/65/62/1128786562.db2.gz JMJXTXMWIZRXBD-NVXWUHKLSA-N 0 1 297.402 3.517 20 0 CHADMN COCc1cnc(CN2CCCC3(CCCC3)CC2)s1 ZINC000668477753 1118595299 /nfs/dbraw/zinc/59/52/99/1118595299.db2.gz GLDJYVALOBPZGC-UHFFFAOYSA-N 0 1 294.464 3.836 20 0 CHADMN Cc1ccnc(NC[C@@H]2CC[C@H](c3ccccc3)O2)c1 ZINC000341060904 1118598650 /nfs/dbraw/zinc/59/86/50/1118598650.db2.gz ZVLWQPJQJXYVHV-JKSUJKDBSA-N 0 1 268.360 3.722 20 0 CHADMN C[C@H](NCCF)c1cccc(NC(=O)c2ccccc2)c1 ZINC000341212638 1118623143 /nfs/dbraw/zinc/62/31/43/1118623143.db2.gz QHQICTXYROKGMB-ZDUSSCGKSA-N 0 1 286.350 3.559 20 0 CHADMN CCN(CC)Cc1nc(-c2cccc(OC)c2)cs1 ZINC000891436539 1118630119 /nfs/dbraw/zinc/63/01/19/1118630119.db2.gz PEXBLDICQREDEA-UHFFFAOYSA-N 0 1 276.405 3.661 20 0 CHADMN CCc1ccc([C@@H](NCc2cncnc2OC)C(C)C)cc1 ZINC000647168007 1118632921 /nfs/dbraw/zinc/63/29/21/1118632921.db2.gz BSTWNQKOKYSITD-KRWDZBQOSA-N 0 1 299.418 3.535 20 0 CHADMN Clc1cccc(CN2CCC23CCCCC3)n1 ZINC000707136179 1118640969 /nfs/dbraw/zinc/64/09/69/1118640969.db2.gz CANXRFHDFBNGJA-UHFFFAOYSA-N 0 1 250.773 3.644 20 0 CHADMN CCc1cccc(F)c1CN(C)CCOC(C)(C)C ZINC000684361431 1118651842 /nfs/dbraw/zinc/65/18/42/1118651842.db2.gz RUAPSWVWVPDZSH-UHFFFAOYSA-N 0 1 267.388 3.635 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)[C@@H]2CCCC[C@@H]12 ZINC000656764958 1118652322 /nfs/dbraw/zinc/65/23/22/1118652322.db2.gz LWGXUNDHXRIRQC-MHKAKZSUSA-N 0 1 299.414 3.665 20 0 CHADMN COc1cc(CNc2nccc(C)c2C2CC2)cc(OC)c1 ZINC000656780105 1118654306 /nfs/dbraw/zinc/65/43/06/1118654306.db2.gz ZUJYCSXBMCIEBI-UHFFFAOYSA-N 0 1 298.386 3.897 20 0 CHADMN Cc1ncsc1CNc1nccc(C)c1C1CC1 ZINC000656779941 1118654701 /nfs/dbraw/zinc/65/47/01/1118654701.db2.gz XUGYZMGRZKCMLC-UHFFFAOYSA-N 0 1 259.378 3.644 20 0 CHADMN CCN(C)c1ccc(CNc2nccc(C)c2C2CC2)cn1 ZINC000656779560 1118655665 /nfs/dbraw/zinc/65/56/65/1118655665.db2.gz QLZFQKDLHODKNX-UHFFFAOYSA-N 0 1 296.418 3.731 20 0 CHADMN Cc1ccc2ncc(CNc3nccc(C)c3C3CC3)n2c1 ZINC000656779670 1118655873 /nfs/dbraw/zinc/65/58/73/1118655873.db2.gz UCQYGLYQQSNWOT-UHFFFAOYSA-N 0 1 292.386 3.836 20 0 CHADMN Nc1ccc2c(c1)CC[C@H]2NCc1cscc1Cl ZINC000656791725 1118658551 /nfs/dbraw/zinc/65/85/51/1118658551.db2.gz LULQEHACCHNIGP-CQSZACIVSA-N 0 1 278.808 3.761 20 0 CHADMN CS[C@@H]1CCCCN(Cc2ccc(C)nc2Cl)C1 ZINC000687931560 1128792194 /nfs/dbraw/zinc/79/21/94/1128792194.db2.gz DUCUWXWFZOGOAB-CYBMUJFWSA-N 0 1 284.856 3.761 20 0 CHADMN CC(C)[C@@H](NCc1ccc(F)c(F)c1)c1ccccn1 ZINC000076903027 1128792326 /nfs/dbraw/zinc/79/23/26/1128792326.db2.gz NFAZYLNYNSDIPE-MRXNPFEDSA-N 0 1 276.330 3.847 20 0 CHADMN CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cnc(C2CC2)[nH]1 ZINC000341353664 1118672269 /nfs/dbraw/zinc/67/22/69/1118672269.db2.gz CTQKCRUXWCNBEY-CYBMUJFWSA-N 0 1 297.402 3.728 20 0 CHADMN CC(C)Cn1nccc1CNCc1ccc(C(C)C)cc1 ZINC000647175619 1118682686 /nfs/dbraw/zinc/68/26/86/1118682686.db2.gz ZGRKEUIUHLBBMC-UHFFFAOYSA-N 0 1 285.435 3.952 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cc2ccccc2[nH]1 ZINC000684410879 1118685651 /nfs/dbraw/zinc/68/56/51/1118685651.db2.gz BWTCVKMEGUWDQI-GXFFZTMASA-N 0 1 282.309 3.941 20 0 CHADMN CC(C)(N[C@H]1CC[C@H](c2ccccc2)C1)C(F)F ZINC000684413488 1118687358 /nfs/dbraw/zinc/68/73/58/1118687358.db2.gz LPLMITQDBGJLHD-STQMWFEESA-N 0 1 253.336 3.956 20 0 CHADMN CN(Cc1[nH]nc2ccccc21)c1ccc2cc[nH]c2c1 ZINC000684413231 1118687428 /nfs/dbraw/zinc/68/74/28/1118687428.db2.gz UDSHDNBIFCJYBC-UHFFFAOYSA-N 0 1 276.343 3.681 20 0 CHADMN CN(Cc1ccc(C2CCC2)cc1)Cc1cccc(=O)[nH]1 ZINC000933402268 1118687579 /nfs/dbraw/zinc/68/75/79/1118687579.db2.gz RNQVNWAKHBJBRA-UHFFFAOYSA-N 0 1 282.387 3.687 20 0 CHADMN Cc1ccc(NC(=O)CN2C[C@@H](C)CC[C@@H]2C)cc1Cl ZINC001167482283 1118690903 /nfs/dbraw/zinc/69/09/03/1118690903.db2.gz IHMAIIYPRFBFEL-AAEUAGOBSA-N 0 1 294.826 3.707 20 0 CHADMN Cc1ccncc1CN(C)Cc1nccc2ccccc21 ZINC000684425592 1118700328 /nfs/dbraw/zinc/70/03/28/1118700328.db2.gz WHMPYINLNRONSC-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN c1cc(CN2CCC[C@@H]2c2ccccc2)n(C2CCC2)n1 ZINC000891544105 1118707116 /nfs/dbraw/zinc/70/71/16/1118707116.db2.gz VVXPPCMVCUUOTP-GOSISDBHSA-N 0 1 281.403 3.945 20 0 CHADMN C[C@H](c1ccccc1)N(Cc1c2c(nn1C)CCC2)C1CC1 ZINC000891595031 1118719033 /nfs/dbraw/zinc/71/90/33/1118719033.db2.gz PMVCQZTUMWZHQX-CQSZACIVSA-N 0 1 295.430 3.634 20 0 CHADMN C[C@@H]1CN(Cc2c(F)cccc2Br)C[C@H]1C ZINC001167487214 1118720134 /nfs/dbraw/zinc/72/01/34/1118720134.db2.gz HWQITMGYLACDRM-NXEZZACHSA-N 0 1 286.188 3.676 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2nccn2C2CC2)c1 ZINC000891618939 1118722879 /nfs/dbraw/zinc/72/28/79/1118722879.db2.gz VXKUVXBXLOEKSR-QGZVFWFLSA-N 0 1 281.403 3.864 20 0 CHADMN CCN(Cc1cnn(C)c1C1CC1)Cc1ccccc1C ZINC000891620145 1118723405 /nfs/dbraw/zinc/72/34/05/1118723405.db2.gz POUAQWDTWKMKIR-UHFFFAOYSA-N 0 1 283.419 3.628 20 0 CHADMN CCn1cc(CN(Cc2cccs2)C(C)C)c(C)n1 ZINC000891626831 1118726109 /nfs/dbraw/zinc/72/61/09/1118726109.db2.gz OHSBGLPWATUKMK-UHFFFAOYSA-N 0 1 277.437 3.684 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1cnn(C2CCC2)c1 ZINC000891639156 1118728119 /nfs/dbraw/zinc/72/81/19/1118728119.db2.gz CVDOVLCOADYQNB-GFCCVEGCSA-N 0 1 275.421 3.863 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1cnn(CC2CCC2)c1 ZINC000891639945 1118728402 /nfs/dbraw/zinc/72/84/02/1118728402.db2.gz KZLMMZBCQGYQBH-ZDUSSCGKSA-N 0 1 289.448 3.938 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1cn(C)nc1C1CC1 ZINC000891638850 1118728701 /nfs/dbraw/zinc/72/87/01/1118728701.db2.gz BOXDOPZDNQCRCV-LLVKDONJSA-N 0 1 275.421 3.552 20 0 CHADMN O=C1[C@@H]2CCCCC2=NN1c1nc(-c2ccccc2)cs1 ZINC000205823461 1118744984 /nfs/dbraw/zinc/74/49/84/1118744984.db2.gz SHVQNPZAOPOMTE-GFCCVEGCSA-N 0 1 297.383 3.703 20 0 CHADMN Cc1cccc(-c2noc([C@@H]3CCCN3C(C)C)n2)c1 ZINC000923773209 1118747049 /nfs/dbraw/zinc/74/70/49/1118747049.db2.gz ZNXNTRFOLUFMHQ-AWEZNQCLSA-N 0 1 271.364 3.590 20 0 CHADMN CC[C@@H]1CN([C@H]2CCCc3ccc(F)cc32)C[C@@H](C)O1 ZINC000510551195 1118768710 /nfs/dbraw/zinc/76/87/10/1118768710.db2.gz RJZOEMFOPGVGKW-VMGRFDJRSA-N 0 1 277.383 3.702 20 0 CHADMN C[C@H]1CN([C@H]2CCCc3ccc(F)cc32)CC(C)(C)O1 ZINC000510584842 1118771461 /nfs/dbraw/zinc/77/14/61/1118771461.db2.gz QLBWFBPBWPMVSC-LRDDRELGSA-N 0 1 277.383 3.702 20 0 CHADMN C[N@@H+](Cc1cnc(C(C)(C)C)s1)CC(C)(C)C ZINC000510635047 1118779440 /nfs/dbraw/zinc/77/94/40/1118779440.db2.gz WCCGJNXPAVFDBT-UHFFFAOYSA-N 0 1 254.443 3.919 20 0 CHADMN CCC[C@H](C)C[N@H+]1CCCC[C@H]1c1nccn1CC ZINC000430869497 1118779882 /nfs/dbraw/zinc/77/98/82/1118779882.db2.gz XZFGXSZGIZPGDD-GJZGRUSLSA-N 0 1 263.429 3.866 20 0 CHADMN COc1ccc2ccccc2c1CN1CCO[C@H]2CCC[C@@H]21 ZINC000510645627 1118781912 /nfs/dbraw/zinc/78/19/12/1118781912.db2.gz NPCMTGKQROJJAS-HKUYNNGSSA-N 0 1 297.398 3.602 20 0 CHADMN CCC1CCN(Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000510663287 1118784930 /nfs/dbraw/zinc/78/49/30/1118784930.db2.gz FULIDEYRFIKESV-UHFFFAOYSA-N 0 1 291.826 3.849 20 0 CHADMN C[C@@H](N[C@@H](C)CCc1ccco1)c1c(F)cncc1F ZINC000285712139 1118787440 /nfs/dbraw/zinc/78/74/40/1118787440.db2.gz POYOPCFAPMUAJV-WDEREUQCSA-N 0 1 280.318 3.625 20 0 CHADMN Cc1ccc(CNCc2ccc(Br)c(C)c2)o1 ZINC000091470008 1118792191 /nfs/dbraw/zinc/79/21/91/1118792191.db2.gz HWXIMNQHEXGODA-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)CCOCC1CCC1 ZINC000341674511 1118792668 /nfs/dbraw/zinc/79/26/68/1118792668.db2.gz LWBCCOTZNLRELH-ZDUSSCGKSA-N 0 1 265.372 3.635 20 0 CHADMN COc1cc(F)cc(CN2Cc3ccccc3[C@H](C)C2)c1 ZINC001140477348 1118796683 /nfs/dbraw/zinc/79/66/83/1118796683.db2.gz BTCLIYYAAFNVEF-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN COc1ccccc1CN[C@H](C)c1ccc(F)c(C)c1 ZINC000449372169 1118806600 /nfs/dbraw/zinc/80/66/00/1118806600.db2.gz DFWGLEPIHJVYJP-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1nc(C(C)(C)C)co1 ZINC000891863408 1118810335 /nfs/dbraw/zinc/81/03/35/1118810335.db2.gz XGPHMOREKHDCQJ-NWDGAFQWSA-N 0 1 250.386 3.593 20 0 CHADMN Cc1cccc(NC(=O)CN2CCC3(CCCC3)CC2)c1 ZINC000518619360 1118820679 /nfs/dbraw/zinc/82/06/79/1118820679.db2.gz RSNGYWCGCBDDOH-UHFFFAOYSA-N 0 1 286.419 3.590 20 0 CHADMN Cc1ccc(CN[C@@H]2CC(C)(C)c3ccccc32)nc1 ZINC000129470169 1118839507 /nfs/dbraw/zinc/83/95/07/1118839507.db2.gz BMAHPDAQLSRHMP-QGZVFWFLSA-N 0 1 266.388 3.902 20 0 CHADMN COc1cccc(CN(C)c2cc[nH+]c3c([O-])cccc23)c1 ZINC000684564886 1118846688 /nfs/dbraw/zinc/84/66/88/1118846688.db2.gz FXSDACKKTXURPS-UHFFFAOYSA-N 0 1 294.354 3.585 20 0 CHADMN CCN(Cc1cnn(C)c1)Cc1ccc(C(C)(C)C)s1 ZINC000092437985 1118850133 /nfs/dbraw/zinc/85/01/33/1118850133.db2.gz HEFHEAWMWWLMQC-UHFFFAOYSA-N 0 1 291.464 3.801 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H]1CC[C@@H](C)C1 ZINC000779260196 1128804700 /nfs/dbraw/zinc/80/47/00/1128804700.db2.gz TXMZSAPOSFORMZ-RISCZKNCSA-N 0 1 284.359 3.731 20 0 CHADMN CC[C@H]1CN(Cc2cccc(-c3cccnc3)c2)C[C@H](C)O1 ZINC000092487116 1118851495 /nfs/dbraw/zinc/85/14/95/1118851495.db2.gz NADLDSJUXYQNEQ-KXBFYZLASA-N 0 1 296.414 3.748 20 0 CHADMN Cc1ccsc1CNc1cc[nH+]c2c([O-])cccc12 ZINC000684570798 1118853199 /nfs/dbraw/zinc/85/31/99/1118853199.db2.gz XNAGEEBDHVJZJQ-UHFFFAOYSA-N 0 1 270.357 3.922 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cs1 ZINC000093097058 1118857420 /nfs/dbraw/zinc/85/74/20/1118857420.db2.gz SIGDUQKDBPIHSP-LLVKDONJSA-N 0 1 287.812 3.621 20 0 CHADMN CCc1ccc(CN(C)Cc2ncccc2C)cc1 ZINC000093158337 1118858215 /nfs/dbraw/zinc/85/82/15/1118858215.db2.gz GLSZCWNJCKOXGW-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN CC[C@]1(C)CCN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC000684575346 1118860142 /nfs/dbraw/zinc/86/01/42/1118860142.db2.gz IKERRQPWIMFOIJ-MRXNPFEDSA-N 0 1 256.349 3.567 20 0 CHADMN [O-]c1cccc2c(N3CC[C@@H](CC(F)(F)F)C3)cc[nH+]c12 ZINC000684589689 1118878805 /nfs/dbraw/zinc/87/88/05/1118878805.db2.gz HQYDUEJKVPIBDZ-JTQLQIEISA-N 0 1 296.292 3.719 20 0 CHADMN Cc1nc(CCN2CCc3cccc(F)c3[C@H]2C)cs1 ZINC000535763389 1118882144 /nfs/dbraw/zinc/88/21/44/1118882144.db2.gz ZWLYFCQQVUVLJN-LLVKDONJSA-N 0 1 290.407 3.752 20 0 CHADMN CCCn1cc(CN(Cc2ccccc2C)C2CC2)cn1 ZINC000535782609 1118885229 /nfs/dbraw/zinc/88/52/29/1118885229.db2.gz BUROOEKKYOQAHG-UHFFFAOYSA-N 0 1 283.419 3.766 20 0 CHADMN CCOc1ccccc1CN1CCC[C@H]1c1ccccn1 ZINC000535785459 1118886533 /nfs/dbraw/zinc/88/65/33/1118886533.db2.gz NVEUMFBVXTWSPG-KRWDZBQOSA-N 0 1 282.387 3.817 20 0 CHADMN c1c(CNCc2ccc3c(n2)CCC3)sc2c1CCCC2 ZINC000563095588 1118892663 /nfs/dbraw/zinc/89/26/63/1118892663.db2.gz DXZXXJANPSNPRB-UHFFFAOYSA-N 0 1 298.455 3.800 20 0 CHADMN CO[C@H](CN[C@@H](C)c1ccco1)c1ccccc1Cl ZINC000090453551 1118900074 /nfs/dbraw/zinc/90/00/74/1118900074.db2.gz LWSUNTFKBASXKI-XHDPSFHLSA-N 0 1 279.767 3.971 20 0 CHADMN C[C@@H](c1cccc2ccccc21)[N@H+](C)Cc1c[nH]cn1 ZINC000684619934 1118908368 /nfs/dbraw/zinc/90/83/68/1118908368.db2.gz WVELSHLXDLPPGI-ZDUSSCGKSA-N 0 1 265.360 3.756 20 0 CHADMN C[C@@H](c1cccc2ccccc21)[N@@H+](C)Cc1c[nH]cn1 ZINC000684619934 1118908372 /nfs/dbraw/zinc/90/83/72/1118908372.db2.gz WVELSHLXDLPPGI-ZDUSSCGKSA-N 0 1 265.360 3.756 20 0 CHADMN C[C@@H](c1cccc2ccccc21)N(C)Cc1c[nH]cn1 ZINC000684619934 1118908375 /nfs/dbraw/zinc/90/83/75/1118908375.db2.gz WVELSHLXDLPPGI-ZDUSSCGKSA-N 0 1 265.360 3.756 20 0 CHADMN CC(C)[C@@H]1N(Cc2nccs2)CC12CCCCC2 ZINC000657174917 1118909282 /nfs/dbraw/zinc/90/92/82/1118909282.db2.gz MVJNZPAFOMSUKO-AWEZNQCLSA-N 0 1 264.438 3.934 20 0 CHADMN CN(Cc1noc2c1CCCC2)[C@@H]1CCC(C)(C)C1 ZINC000684625496 1118912035 /nfs/dbraw/zinc/91/20/35/1118912035.db2.gz UKEJUGNDDQGWTB-GFCCVEGCSA-N 0 1 262.397 3.564 20 0 CHADMN CCCCN(CCC)Cc1c(F)c(F)ccc1OC ZINC001143420002 1118915061 /nfs/dbraw/zinc/91/50/61/1118915061.db2.gz KNNZGMXJULVAFI-UHFFFAOYSA-N 0 1 271.351 3.986 20 0 CHADMN C[C@H](c1c(F)cccc1F)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000181430576 1118915243 /nfs/dbraw/zinc/91/52/43/1118915243.db2.gz JWASZACHFBZJTD-XUJVJEKNSA-N 0 1 283.362 3.509 20 0 CHADMN Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(O)c(F)c2)s1 ZINC000891991808 1118930019 /nfs/dbraw/zinc/93/00/19/1118930019.db2.gz HUKYXXDZLORYNC-SNVBAGLBSA-N 0 1 294.395 3.798 20 0 CHADMN Cc1ccccc1-c1noc(CN(C)C2CC(C)(C)C2)n1 ZINC000657242102 1118930636 /nfs/dbraw/zinc/93/06/36/1118930636.db2.gz XDULWJYWJRXZCK-UHFFFAOYSA-N 0 1 285.391 3.665 20 0 CHADMN COC1CC(N(C)Cc2ccc(Oc3ccccc3)o2)C1 ZINC000348714643 1118931586 /nfs/dbraw/zinc/93/15/86/1118931586.db2.gz OAENNKPDCPPMGS-UHFFFAOYSA-N 0 1 287.359 3.681 20 0 CHADMN CC[C@H](CSc1nc(C(C)(C)C)n[nH]1)CC(F)F ZINC000657242917 1118932107 /nfs/dbraw/zinc/93/21/07/1118932107.db2.gz MIRIRADYYWSEPA-QMMMGPOBSA-N 0 1 277.384 3.876 20 0 CHADMN CC[C@H](CSc1n[nH]c(C(C)(C)C)n1)CC(F)F ZINC000657242917 1118932108 /nfs/dbraw/zinc/93/21/08/1118932108.db2.gz MIRIRADYYWSEPA-QMMMGPOBSA-N 0 1 277.384 3.876 20 0 CHADMN CCc1nc([C@@H](C)Sc2nccc3ccccc32)n[nH]1 ZINC000657264743 1118944867 /nfs/dbraw/zinc/94/48/67/1118944867.db2.gz ZQGUXEWERFWVQS-SNVBAGLBSA-N 0 1 284.388 3.769 20 0 CHADMN Cc1ccc(C[C@@H](C)N(C)Cc2nccn2C2CC2)cc1 ZINC000892080180 1118958962 /nfs/dbraw/zinc/95/89/62/1118958962.db2.gz CNCZZLGWOOJJRR-OAHLLOKOSA-N 0 1 283.419 3.589 20 0 CHADMN Cc1cnc(CN[C@H](C)c2ccc(F)c3ccccc32)n1C ZINC000342311887 1118973083 /nfs/dbraw/zinc/97/30/83/1118973083.db2.gz QONNQRDEHIIXFS-CYBMUJFWSA-N 0 1 297.377 3.872 20 0 CHADMN CC(C)(C)c1coc(CNCC2CCC(F)(F)CC2)n1 ZINC000724357986 1118974369 /nfs/dbraw/zinc/97/43/69/1118974369.db2.gz NFPCDDGDWYABKL-UHFFFAOYSA-N 0 1 286.366 3.887 20 0 CHADMN C[C@@H](OC(=O)c1cccc2[nH]ncc21)c1ccccc1F ZINC000779273994 1128813283 /nfs/dbraw/zinc/81/32/83/1128813283.db2.gz NUSOQDIQGUCDHU-SNVBAGLBSA-N 0 1 284.290 3.620 20 0 CHADMN C[C@H](Cc1cccnc1)NCc1c(Cl)cncc1Cl ZINC000934227812 1118980826 /nfs/dbraw/zinc/98/08/26/1118980826.db2.gz RYHAUJMDAQJWPS-SNVBAGLBSA-N 0 1 296.201 3.504 20 0 CHADMN CC(C)[N@@H+](CCCO)Cc1cccc(Cl)c1Cl ZINC000228903064 1118982198 /nfs/dbraw/zinc/98/21/98/1118982198.db2.gz MXMWDSZWCPZTOT-UHFFFAOYSA-N 0 1 276.207 3.586 20 0 CHADMN CC(C)N(CCCO)Cc1cccc(Cl)c1Cl ZINC000228903064 1118982201 /nfs/dbraw/zinc/98/22/01/1118982201.db2.gz MXMWDSZWCPZTOT-UHFFFAOYSA-N 0 1 276.207 3.586 20 0 CHADMN CC(C)n1ccnc1CN1CC(C)(C)CC(C)(C)C1 ZINC000342340799 1118985069 /nfs/dbraw/zinc/98/50/69/1118985069.db2.gz SKGZOQIAIULNLE-UHFFFAOYSA-N 0 1 263.429 3.722 20 0 CHADMN C[C@@H](N[C@@H](C)Cc1cccnc1)c1ncc(C(C)(C)C)o1 ZINC000934236421 1118987130 /nfs/dbraw/zinc/98/71/30/1118987130.db2.gz PEZWQHKMZDMWAO-QWHCGFSZSA-N 0 1 287.407 3.649 20 0 CHADMN CC(C)(C)c1coc(CNCC2C[C@H]3CC[C@@H](C2)S3)n1 ZINC000724425520 1118998340 /nfs/dbraw/zinc/99/83/40/1118998340.db2.gz WYIUYYFRCOKJNU-YHWZYXNKSA-N 0 1 294.464 3.736 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc2c1OCO2)c1ccsc1 ZINC000926368818 1119003429 /nfs/dbraw/zinc/00/34/29/1119003429.db2.gz FIVUCWMMCVFTKK-MNOVXSKESA-N 0 1 275.373 3.889 20 0 CHADMN Cc1ccoc1CN1Cc2ccccc2OC(C)(C)C1 ZINC000582090364 1119006613 /nfs/dbraw/zinc/00/66/13/1119006613.db2.gz WCOPTPOHRMCTQE-UHFFFAOYSA-N 0 1 271.360 3.761 20 0 CHADMN Cc1c[nH]c(CN[C@@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000657335521 1119008925 /nfs/dbraw/zinc/00/89/25/1119008925.db2.gz LASQJVOXMYRPEN-QGZVFWFLSA-N 0 1 287.382 3.878 20 0 CHADMN Cc1c[nH]c(CN[C@@H](c2ccccc2)C2CCCC2)n1 ZINC000657336366 1119009595 /nfs/dbraw/zinc/00/95/95/1119009595.db2.gz RADPKIBTBCLUJN-KRWDZBQOSA-N 0 1 269.392 3.739 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2ccc(Cl)cc2)nc1 ZINC000342413339 1119009978 /nfs/dbraw/zinc/00/99/78/1119009978.db2.gz ZLWLVPQNSSPSDU-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN CCC[C@@H](NCc1cc(COC)cs1)c1ccccn1 ZINC000657345922 1119016984 /nfs/dbraw/zinc/01/69/84/1119016984.db2.gz AQBZZZZCZVMMPU-OAHLLOKOSA-N 0 1 290.432 3.921 20 0 CHADMN C[C@H]1CN(Cc2cccc3[nH]c(=O)oc32)[C@H]1c1ccccc1 ZINC000892194416 1119017834 /nfs/dbraw/zinc/01/78/34/1119017834.db2.gz FZIZLFXUUFSYIC-BLLLJJGKSA-N 0 1 294.354 3.726 20 0 CHADMN CCCCN(C(=O)[C@@H](C)Cc1cnc[nH]1)C1CCCCC1 ZINC000582130505 1119017986 /nfs/dbraw/zinc/01/79/86/1119017986.db2.gz GFXTYXHHGXNCHV-AWEZNQCLSA-N 0 1 291.439 3.550 20 0 CHADMN CCOc1ccc(CN[C@@H](COC)c2ccccc2)c(C)c1 ZINC000657365717 1119032628 /nfs/dbraw/zinc/03/26/28/1119032628.db2.gz FUMWQAMZDPCRRI-IBGZPJMESA-N 0 1 299.414 3.871 20 0 CHADMN C[C@@H](N(C)Cc1c(Cl)n[nH]c1C1CC1)C1(C)CC1 ZINC000892220866 1119034124 /nfs/dbraw/zinc/03/41/24/1119034124.db2.gz ZOWYRYLZIJDZSD-SECBINFHSA-N 0 1 267.804 3.561 20 0 CHADMN Fc1ccc(CN(CC2CC2)C[C@H]2CCCO2)c(Cl)c1 ZINC000511093153 1119038082 /nfs/dbraw/zinc/03/80/82/1119038082.db2.gz CMZRIAUUBXQZQR-OAHLLOKOSA-N 0 1 297.801 3.870 20 0 CHADMN CO[C@]1(C)CCC[N@@H+](Cc2ncc(C(C)(C)C)s2)CC1 ZINC000375682626 1119038598 /nfs/dbraw/zinc/03/85/98/1119038598.db2.gz IVMOKKKJQAAEKU-MRXNPFEDSA-N 0 1 296.480 3.832 20 0 CHADMN CO[C@]1(C)CCCN(Cc2ncc(C(C)(C)C)s2)CC1 ZINC000375682626 1119038599 /nfs/dbraw/zinc/03/85/99/1119038599.db2.gz IVMOKKKJQAAEKU-MRXNPFEDSA-N 0 1 296.480 3.832 20 0 CHADMN CC(C)n1ccnc1CNC[C@@H](C)Sc1ccccc1 ZINC000657377371 1119040815 /nfs/dbraw/zinc/04/08/15/1119040815.db2.gz CLUZEHJMKWZLDJ-CQSZACIVSA-N 0 1 289.448 3.734 20 0 CHADMN CC[C@H](NC(=O)c1cccc(F)c1O)C1CCCCC1 ZINC001125591525 1119046368 /nfs/dbraw/zinc/04/63/68/1119046368.db2.gz AZGSDPYKAQAYSH-AWEZNQCLSA-N 0 1 279.355 3.620 20 0 CHADMN CCc1ccc(CN2CC[C@H](C(F)(F)F)C2(C)C)nc1 ZINC000582314179 1119049895 /nfs/dbraw/zinc/04/98/95/1119049895.db2.gz KWRRYPCOYTUFLO-ZDUSSCGKSA-N 0 1 286.341 3.807 20 0 CHADMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3)o2)C1 ZINC000582327886 1119051413 /nfs/dbraw/zinc/05/14/13/1119051413.db2.gz BVMICXRBOSYWDF-FZNQNYSPSA-N 0 1 271.360 3.556 20 0 CHADMN Fc1ccccc1-c1cnc(CN2CCCCCC2)o1 ZINC000158174235 1119065479 /nfs/dbraw/zinc/06/54/79/1119065479.db2.gz FHZKXTVHACAQHO-UHFFFAOYSA-N 0 1 274.339 3.857 20 0 CHADMN CCC[C@H](C)C(=O)Nc1ccccc1Nc1ccncc1 ZINC000684850892 1119068978 /nfs/dbraw/zinc/06/89/78/1119068978.db2.gz TWTQLJMUOOTUMI-ZDUSSCGKSA-N 0 1 283.375 3.622 20 0 CHADMN O=C(Nc1ccccc1Nc1ccncc1)c1cccs1 ZINC000684850868 1119069090 /nfs/dbraw/zinc/06/90/90/1119069090.db2.gz JSBFUAJGFMUBSD-UHFFFAOYSA-N 0 1 295.367 3.561 20 0 CHADMN Cc1ccc(F)cc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000226507940 1119070807 /nfs/dbraw/zinc/07/08/07/1119070807.db2.gz XNGBOFUKPNQJAR-GFCCVEGCSA-N 0 1 288.322 3.893 20 0 CHADMN C[N@@H+](CCC1CCCCC1)[C@H](C(=O)[O-])c1ccsc1 ZINC000582425707 1119079064 /nfs/dbraw/zinc/07/90/64/1119079064.db2.gz KCGWDBMRMHLNKC-AWEZNQCLSA-N 0 1 281.421 3.776 20 0 CHADMN CN(CCOCC1CC1)Cc1ccsc1C(F)(F)F ZINC000628187139 1128825458 /nfs/dbraw/zinc/82/54/58/1128825458.db2.gz GVUBFBIBKJDNCP-UHFFFAOYSA-N 0 1 293.354 3.625 20 0 CHADMN C[C@@H]1CCCc2ccccc2[C@H]1NCc1cc2n(n1)CCC2 ZINC000657434344 1119085591 /nfs/dbraw/zinc/08/55/91/1119085591.db2.gz GFVYKOXXFSXSET-KUHUBIRLSA-N 0 1 295.430 3.633 20 0 CHADMN Cc1ncc(CN(Cc2ccc(F)cc2)C(C)(C)C)o1 ZINC000628161277 1128820694 /nfs/dbraw/zinc/82/06/94/1128820694.db2.gz XORLDPOIHHZVGR-UHFFFAOYSA-N 0 1 276.355 3.923 20 0 CHADMN COc1c(C)cnc(CN[C@H](C)c2ccc(C)s2)c1C ZINC000049183669 1119088799 /nfs/dbraw/zinc/08/87/99/1119088799.db2.gz GZUSQXMBLWSJLW-CYBMUJFWSA-N 0 1 290.432 3.928 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1cc2c(cccc2C)[nH]1 ZINC000657443104 1119095655 /nfs/dbraw/zinc/09/56/55/1119095655.db2.gz YDXWTNJRAJOFAJ-CYBMUJFWSA-N 0 1 295.386 3.731 20 0 CHADMN COc1cccc(C2=CCN([C@H](C)c3cccnc3)CC2)c1 ZINC000342605375 1119098659 /nfs/dbraw/zinc/09/86/59/1119098659.db2.gz YTOCKIGFYCOCOH-OAHLLOKOSA-N 0 1 294.398 3.941 20 0 CHADMN COc1c(C)cnc(CN[C@H](C)c2ccccc2C)c1C ZINC000049525944 1119099594 /nfs/dbraw/zinc/09/95/94/1119099594.db2.gz BZPDHJZOGJXGSV-OAHLLOKOSA-N 0 1 284.403 3.866 20 0 CHADMN CCC(C)(C)CNCc1c(F)cncc1Br ZINC000657446846 1119100605 /nfs/dbraw/zinc/10/06/05/1119100605.db2.gz MMWBYEYAZCPGSR-UHFFFAOYSA-N 0 1 289.192 3.509 20 0 CHADMN FC(F)Sc1ccc(CNCc2ccoc2)cc1 ZINC000180913464 1128822043 /nfs/dbraw/zinc/82/20/43/1128822043.db2.gz MBYHAEDKJFIPEY-UHFFFAOYSA-N 0 1 269.316 3.884 20 0 CHADMN CCCn1nccc1CN[C@H]1CCCc2ccc(F)cc21 ZINC000657456285 1119108675 /nfs/dbraw/zinc/10/86/75/1119108675.db2.gz FRKSVIXHZBYIRD-KRWDZBQOSA-N 0 1 287.382 3.599 20 0 CHADMN CC(=O)c1ccccc1OCc1ccc2nc(C)[nH]c2c1 ZINC000342653792 1119114103 /nfs/dbraw/zinc/11/41/03/1119114103.db2.gz CELGBGIFSOACSE-UHFFFAOYSA-N 0 1 280.327 3.653 20 0 CHADMN Cc1ccccc1OCCN[C@H](C)c1cccnc1Cl ZINC000161329894 1119121085 /nfs/dbraw/zinc/12/10/85/1119121085.db2.gz LNGBVIHCWBGFHX-CYBMUJFWSA-N 0 1 290.794 3.773 20 0 CHADMN COc1ccc([C@H](C)CN(C)Cc2csc(C)n2)cc1 ZINC000342676869 1119121640 /nfs/dbraw/zinc/12/16/40/1119121640.db2.gz DABVNBBFTWNJEO-GFCCVEGCSA-N 0 1 290.432 3.696 20 0 CHADMN CCCCC[N@@H+](Cc1ncc(COC)s1)C(C)C ZINC000342679388 1119122810 /nfs/dbraw/zinc/12/28/10/1119122810.db2.gz IKLFLQHHMRVNNH-UHFFFAOYSA-N 0 1 270.442 3.690 20 0 CHADMN CCCCCN(Cc1ncc(COC)s1)C(C)C ZINC000342679388 1119122812 /nfs/dbraw/zinc/12/28/12/1119122812.db2.gz IKLFLQHHMRVNNH-UHFFFAOYSA-N 0 1 270.442 3.690 20 0 CHADMN Fc1ccc(SCc2n[nH]c(C3CC3)n2)cc1Cl ZINC000342689526 1119126958 /nfs/dbraw/zinc/12/69/58/1119126958.db2.gz IVRZKBZQVFOOTP-UHFFFAOYSA-N 0 1 283.759 3.767 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1ccn(-c2ccccc2)n1 ZINC000342712964 1119138590 /nfs/dbraw/zinc/13/85/90/1119138590.db2.gz JKDHWUXSIGQBEA-HUUCEWRRSA-N 0 1 269.392 3.635 20 0 CHADMN Fc1cccc2c1CC[C@@H]2N[C@@H]1CCCc2cccnc21 ZINC000684954675 1119139688 /nfs/dbraw/zinc/13/96/88/1119139688.db2.gz CPVPUFWBIZEPOC-DLBZAZTESA-N 0 1 282.362 3.875 20 0 CHADMN CCCCn1cc(CN[C@H]2CCCc3cccnc32)c(C)n1 ZINC000684959551 1119143876 /nfs/dbraw/zinc/14/38/76/1119143876.db2.gz CVGYSGOWOIOAAH-KRWDZBQOSA-N 0 1 298.434 3.554 20 0 CHADMN CO[C@H]1CCC[C@@H](Nc2ccc(Cl)c(CN(C)C)c2)C1 ZINC000684963065 1119144542 /nfs/dbraw/zinc/14/45/42/1119144542.db2.gz KMVOVLAISONULQ-HIFRSBDPSA-N 0 1 296.842 3.771 20 0 CHADMN CCC[C@H]1CCC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC000342728056 1119145324 /nfs/dbraw/zinc/14/53/24/1119145324.db2.gz BYDVPCNOMWQHOQ-ZDUSSCGKSA-N 0 1 252.427 3.772 20 0 CHADMN Cc1cc(C(N)=O)c(Nc2ccnc(C(C)(C)C)c2)s1 ZINC001213163182 1119149897 /nfs/dbraw/zinc/14/98/97/1119149897.db2.gz XIEGXBCOCIZYIQ-UHFFFAOYSA-N 0 1 289.404 3.592 20 0 CHADMN Cc1nc2c(n1CCc1cccc(F)c1F)CCCC2 ZINC000563438515 1119156344 /nfs/dbraw/zinc/15/63/44/1119156344.db2.gz GZQOGVKMJOWLCE-UHFFFAOYSA-N 0 1 276.330 3.591 20 0 CHADMN Cc1cnc(CN2CCC[C@@H]2c2ccc(C)c(C)c2)n1C ZINC000342771989 1119160302 /nfs/dbraw/zinc/16/03/02/1119160302.db2.gz AJZLJOAMIZFAHX-QGZVFWFLSA-N 0 1 283.419 3.682 20 0 CHADMN CCN(Cc1ccccc1)Cc1cnc(C(C)(C)C)nc1 ZINC000342773273 1119161105 /nfs/dbraw/zinc/16/11/05/1119161105.db2.gz BVXXHJKGLPXDIS-UHFFFAOYSA-N 0 1 283.419 3.796 20 0 CHADMN C[C@@H](CC(=O)NC[C@@H](c1ccsc1)N(C)C)C(C)(C)C ZINC000342774637 1119161588 /nfs/dbraw/zinc/16/15/88/1119161588.db2.gz DTIMGFAAWMCXLD-JSGCOSHPSA-N 0 1 296.480 3.539 20 0 CHADMN Fc1ccc2c(c1)nccc2NC[C@@H]1CSCCS1 ZINC000153085354 1119161678 /nfs/dbraw/zinc/16/16/78/1119161678.db2.gz XZBBCUXTBCVDTD-LLVKDONJSA-N 0 1 294.420 3.634 20 0 CHADMN C[C@]12CCCC[C@H]1C[N@H+]2Cc1ccc(C(F)(F)F)cn1 ZINC000626103689 1119161811 /nfs/dbraw/zinc/16/18/11/1119161811.db2.gz LTADSXHFUVIGMD-JSGCOSHPSA-N 0 1 284.325 3.865 20 0 CHADMN Cc1ccccc1CN(C)Cc1cnc(C(C)(C)C)nc1 ZINC000342800584 1119175857 /nfs/dbraw/zinc/17/58/57/1119175857.db2.gz SKLNTQRUFNLKHQ-UHFFFAOYSA-N 0 1 283.419 3.715 20 0 CHADMN CCc1cnc(CN2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)o1 ZINC000075750312 1119179458 /nfs/dbraw/zinc/17/94/58/1119179458.db2.gz PNCWBNUAGZYVBR-JSGCOSHPSA-N 0 1 288.366 3.754 20 0 CHADMN CCc1cnc(C[N@@H+](CC2CC2)C2CCCCC2)o1 ZINC000075712074 1119179535 /nfs/dbraw/zinc/17/95/35/1119179535.db2.gz CYKKWYIFBPUUFA-UHFFFAOYSA-N 0 1 262.397 3.782 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CCC(O)(CC)CC1 ZINC000075859381 1119179599 /nfs/dbraw/zinc/17/95/99/1119179599.db2.gz BGPAIRKLHJOBHH-HNNXBMFYSA-N 0 1 283.362 3.653 20 0 CHADMN CN(Cc1ccccc1Cl)[C@H](CCO)c1ccccc1 ZINC000075899618 1119180632 /nfs/dbraw/zinc/18/06/32/1119180632.db2.gz TXZWMBXGJDUOPW-QGZVFWFLSA-N 0 1 289.806 3.896 20 0 CHADMN CCC[C@@]1(C)CCCN([C@@H](C)c2nnc(CC)o2)C1 ZINC000076145957 1119183276 /nfs/dbraw/zinc/18/32/76/1119183276.db2.gz NCPDYAHDXCIFKP-WFASDCNBSA-N 0 1 265.401 3.595 20 0 CHADMN COc1cccc(F)c1CNc1ccc2[nH]c(C)nc2c1 ZINC001167607374 1119186770 /nfs/dbraw/zinc/18/67/70/1119186770.db2.gz WYZMXVBDHKSSDD-UHFFFAOYSA-N 0 1 285.322 3.631 20 0 CHADMN CCC[C@@H](NCc1cc(C)nc(C)n1)c1ccccc1 ZINC000342812106 1119187552 /nfs/dbraw/zinc/18/75/52/1119187552.db2.gz XYQCIUXNXUIMEE-QGZVFWFLSA-N 0 1 269.392 3.724 20 0 CHADMN Cc1nc(C)c(CNC2(c3ccccc3)CC2)s1 ZINC000076869470 1119188699 /nfs/dbraw/zinc/18/86/99/1119188699.db2.gz CZYKNZMYIIVVEV-UHFFFAOYSA-N 0 1 258.390 3.539 20 0 CHADMN CCO[C@@H](C)c1nc(CN2CCC[C@@H]2C(C)C)cs1 ZINC000076722572 1119189486 /nfs/dbraw/zinc/18/94/86/1119189486.db2.gz ULWIBOWMUQJZLN-GXTWGEPZSA-N 0 1 282.453 3.861 20 0 CHADMN Cc1cc(C)cc(NC(=O)CNC2(c3ccccc3)CC2)c1 ZINC000077378334 1119192388 /nfs/dbraw/zinc/19/23/88/1119192388.db2.gz MDSYQMSXFKFXLV-UHFFFAOYSA-N 0 1 294.398 3.521 20 0 CHADMN Fc1ccc(CNC2(c3ccccc3)CC2)cc1F ZINC000077378167 1119192495 /nfs/dbraw/zinc/19/24/95/1119192495.db2.gz VFGIFEYNXAXSCP-UHFFFAOYSA-N 0 1 259.299 3.744 20 0 CHADMN Cc1ncc(C(=O)N(CC2CCC2)[C@@H](C)c2ccccc2)[nH]1 ZINC000077648599 1119195122 /nfs/dbraw/zinc/19/51/22/1119195122.db2.gz UMSDDRQPCGJYTP-ZDUSSCGKSA-N 0 1 297.402 3.722 20 0 CHADMN Cc1ncc(CN(C)CCCOc2ccc(Cl)cc2)o1 ZINC000628149804 1119203024 /nfs/dbraw/zinc/20/30/24/1119203024.db2.gz OBJQUWHLZWWFQG-UHFFFAOYSA-N 0 1 294.782 3.537 20 0 CHADMN Cc1occc1C[N@H+](C)Cc1ccc2[nH]ccc2c1 ZINC000628153254 1119207807 /nfs/dbraw/zinc/20/78/07/1119207807.db2.gz GPKRKAQWIAMCBZ-UHFFFAOYSA-N 0 1 254.333 3.701 20 0 CHADMN Cc1occc1CN(C)Cc1ccc2[nH]ccc2c1 ZINC000628153254 1119207808 /nfs/dbraw/zinc/20/78/08/1119207808.db2.gz GPKRKAQWIAMCBZ-UHFFFAOYSA-N 0 1 254.333 3.701 20 0 CHADMN Cc1cc(CN2CCC(F)CC2)cc(C(F)(F)F)c1 ZINC001143447428 1119209810 /nfs/dbraw/zinc/20/98/10/1119209810.db2.gz DFKTVGJIPNSDKD-UHFFFAOYSA-N 0 1 275.289 3.948 20 0 CHADMN COc1cc(CN2CCC[C@@H]2c2ccc(F)cc2)ccn1 ZINC000342860144 1119212166 /nfs/dbraw/zinc/21/21/66/1119212166.db2.gz NWDVRWXOOLZHOO-MRXNPFEDSA-N 0 1 286.350 3.566 20 0 CHADMN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NCc1cnc(C)o1 ZINC000628217563 1128829884 /nfs/dbraw/zinc/82/98/84/1128829884.db2.gz CBNHGNYGNXQZNM-BMIGLBTASA-N 0 1 294.782 3.502 20 0 CHADMN Cc1ncc(CN2CCC(c3ccc(F)c(F)c3)CC2)o1 ZINC000628163901 1119223442 /nfs/dbraw/zinc/22/34/42/1119223442.db2.gz WTYRMRJLHUKMNL-UHFFFAOYSA-N 0 1 292.329 3.641 20 0 CHADMN CN(C)Cc1cccc(-c2cncc(C3CC3)c2)c1F ZINC001204597220 1119243013 /nfs/dbraw/zinc/24/30/13/1119243013.db2.gz FQEVPJLLYINUIJ-UHFFFAOYSA-N 0 1 270.351 3.827 20 0 CHADMN COCc1cnc(CN2CCC[C@]3(CC=CCC3)C2)s1 ZINC000342915033 1119246386 /nfs/dbraw/zinc/24/63/86/1119246386.db2.gz CUSSXKGBQYGPEA-MRXNPFEDSA-N 0 1 292.448 3.612 20 0 CHADMN C[C@H](CCc1cccc(F)c1)N[C@@H]1CCCC1(F)F ZINC000672620114 1119251238 /nfs/dbraw/zinc/25/12/38/1119251238.db2.gz JWAVGQIXEIARIX-BXUZGUMPSA-N 0 1 271.326 3.924 20 0 CHADMN Cc1cccc(CN(C)Cc2c(C)cccc2C)n1 ZINC000342944333 1119259517 /nfs/dbraw/zinc/25/95/17/1119259517.db2.gz SCZCCPDLRDJXAJ-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2cnc(C)o2)o1 ZINC000628188514 1119271740 /nfs/dbraw/zinc/27/17/40/1119271740.db2.gz CPKRAZFDNTXXTH-NHYWBVRUSA-N 0 1 274.364 3.858 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN2C[C@@H]3CCCC[C@@]32C)c1 ZINC000626104736 1119283630 /nfs/dbraw/zinc/28/36/30/1119283630.db2.gz ATSYEFXNIALDGP-YJBOKZPZSA-N 0 1 286.419 3.506 20 0 CHADMN CC(C)(C)c1ccc(CNCc2ccccn2)s1 ZINC000126194411 1119289369 /nfs/dbraw/zinc/28/93/69/1119289369.db2.gz KFAOOKACLULTOA-UHFFFAOYSA-N 0 1 260.406 3.730 20 0 CHADMN Cc1cnc([C@@H](C)CN[C@H](C)c2csc(C)n2)s1 ZINC000349830960 1119292945 /nfs/dbraw/zinc/29/29/45/1119292945.db2.gz GMPAQFNGPMQLPH-WCBMZHEXSA-N 0 1 281.450 3.671 20 0 CHADMN Cc1cnc(CN2CCC(C)(c3ccccc3)CC2)o1 ZINC000153915458 1119296361 /nfs/dbraw/zinc/29/63/61/1119296361.db2.gz GEOPWUVFDFJIDP-UHFFFAOYSA-N 0 1 270.376 3.537 20 0 CHADMN Cc1ccc(CN(CCC(F)(F)F)CC2CC2)cn1 ZINC000154023054 1119299499 /nfs/dbraw/zinc/29/94/99/1119299499.db2.gz FSOKFHVWQUQIKM-UHFFFAOYSA-N 0 1 272.314 3.554 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccc(C)cc3C)C2)[nH]c1C ZINC000628255399 1128837322 /nfs/dbraw/zinc/83/73/22/1128837322.db2.gz LLOSAFMCOUPCEL-INIZCTEOSA-N 0 1 283.419 3.633 20 0 CHADMN Cc1nn(C)c(C)c1CN1CCC[C@H]1c1cccc(F)c1 ZINC000154932853 1119323074 /nfs/dbraw/zinc/32/30/74/1119323074.db2.gz FZXBDVLLGXSKMB-KRWDZBQOSA-N 0 1 287.382 3.513 20 0 CHADMN Cc1cnc([C@H](C)NCc2sccc2C)s1 ZINC000125175767 1119328608 /nfs/dbraw/zinc/32/86/08/1119328608.db2.gz NYDYUBJILSUQAT-JTQLQIEISA-N 0 1 252.408 3.672 20 0 CHADMN Cc1nc(C)c(CNc2ccc(Cl)c(CN(C)C)c2)o1 ZINC000628260371 1128838499 /nfs/dbraw/zinc/83/84/99/1128838499.db2.gz FIOXMYGEVVIDPJ-UHFFFAOYSA-N 0 1 293.798 3.619 20 0 CHADMN C[N@H+](C/C=C/c1ccc(F)c(F)c1)CCC(F)(F)F ZINC000583289749 1119335203 /nfs/dbraw/zinc/33/52/03/1119335203.db2.gz QGINMRINFYPAGR-NSCUHMNNSA-N 0 1 279.252 3.862 20 0 CHADMN CN(C/C=C/c1ccc(F)c(F)c1)CCC(F)(F)F ZINC000583289749 1119335206 /nfs/dbraw/zinc/33/52/06/1119335206.db2.gz QGINMRINFYPAGR-NSCUHMNNSA-N 0 1 279.252 3.862 20 0 CHADMN CC(C)(C)c1cnc(CNCC2=CCCC2)s1 ZINC000657750072 1119339254 /nfs/dbraw/zinc/33/92/54/1119339254.db2.gz ZHOZGEDMSDYXKA-UHFFFAOYSA-N 0 1 250.411 3.641 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCc3cccnc32)c(C)o1 ZINC000226817941 1119341123 /nfs/dbraw/zinc/34/11/23/1119341123.db2.gz KLEWDMPRVLLGNY-XHDPSFHLSA-N 0 1 256.349 3.630 20 0 CHADMN Fc1cccc(Cl)c1C[C@@H]1CCCN1Cc1ccno1 ZINC000080129718 1119341983 /nfs/dbraw/zinc/34/19/83/1119341983.db2.gz KGBOEZHDALJCLY-NSHDSACASA-N 0 1 294.757 3.674 20 0 CHADMN O=C1c2cccc3cccc(c23)N1CN1CCC[C@@H]1C1CC1 ZINC000728563344 1119342762 /nfs/dbraw/zinc/34/27/62/1119342762.db2.gz SAUKTXIVPXDVAY-MRXNPFEDSA-N 0 1 292.382 3.632 20 0 CHADMN Cc1cccc2ncc(Nc3ccc(-c4ncc[nH]4)cc3)n21 ZINC001213088184 1119346984 /nfs/dbraw/zinc/34/69/84/1119346984.db2.gz VATRIYPSJOZKCI-UHFFFAOYSA-N 0 1 289.342 3.776 20 0 CHADMN CCN(C/C=C/c1ccccc1OC)Cc1ccoc1 ZINC000092935890 1119352396 /nfs/dbraw/zinc/35/23/96/1119352396.db2.gz CWUDQMFLABGRTA-SOFGYWHQSA-N 0 1 271.360 3.824 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2C[C@H]1C)c1cc2n(n1)CCCC2 ZINC000647292717 1119359157 /nfs/dbraw/zinc/35/91/57/1119359157.db2.gz CBMUWXQWSRJMPP-BIENJYKASA-N 0 1 295.430 3.804 20 0 CHADMN Cc1ccc(CN2CC=C(C(F)(F)F)CC2)cc1 ZINC000536040365 1119363636 /nfs/dbraw/zinc/36/36/36/1119363636.db2.gz WSAHBPCOSUZDDS-UHFFFAOYSA-N 0 1 255.283 3.689 20 0 CHADMN c1csc(-c2ncc(CN3CC[C@@H]4C[C@@H]4C3)s2)c1 ZINC000668677224 1119363263 /nfs/dbraw/zinc/36/32/63/1119363263.db2.gz ZVSFJMUAJFQDCR-GHMZBOCLSA-N 0 1 276.430 3.713 20 0 CHADMN Cc1ccc([C@H](C)CNCc2nccc(C(F)F)n2)cc1 ZINC000628282001 1128841515 /nfs/dbraw/zinc/84/15/15/1128841515.db2.gz JZGBABOLGBCJTK-GFCCVEGCSA-N 0 1 291.345 3.616 20 0 CHADMN CCCN1CCC[C@@H]1C(=O)Nc1cc(SC)ccc1C ZINC000343298848 1119380012 /nfs/dbraw/zinc/38/00/12/1119380012.db2.gz IYONKVLFIRLXRJ-OAHLLOKOSA-N 0 1 292.448 3.530 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2cc(C(C)(C)C)on2)C1 ZINC000583662842 1119392348 /nfs/dbraw/zinc/39/23/48/1119392348.db2.gz YKWKPLKEZVJVSD-ZDUSSCGKSA-N 0 1 264.413 3.840 20 0 CHADMN CC1(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC000583970777 1119444623 /nfs/dbraw/zinc/44/46/23/1119444623.db2.gz NAIKIUOVNAXPGF-UHFFFAOYSA-N 0 1 275.236 3.603 20 0 CHADMN CCCCC[C@H](CC)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000181199440 1128843030 /nfs/dbraw/zinc/84/30/30/1128843030.db2.gz UVPFBJUQYLEBDF-HNNXBMFYSA-N 0 1 291.439 3.688 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1ncc(C(C)(C)C)o1 ZINC000661233515 1119402549 /nfs/dbraw/zinc/40/25/49/1119402549.db2.gz HPOJFUDAELNEDL-LLVKDONJSA-N 0 1 252.402 3.886 20 0 CHADMN C[C@@H]1C[C@@H]1[C@H](NCc1nccn1C)c1ccc(Cl)cc1 ZINC000343381680 1119405193 /nfs/dbraw/zinc/40/51/93/1119405193.db2.gz NUFATSUZIQVEJC-DIOULYMOSA-N 0 1 289.810 3.560 20 0 CHADMN CC(C)(C)C(F)(F)CN[C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000657793194 1119412436 /nfs/dbraw/zinc/41/24/36/1119412436.db2.gz HUGSARKIDZEUJR-MELADBBJSA-N 0 1 289.410 3.853 20 0 CHADMN CC(C)(C)C(F)(F)CN[C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000657793195 1119412484 /nfs/dbraw/zinc/41/24/84/1119412484.db2.gz HUGSARKIDZEUJR-MGPQQGTHSA-N 0 1 289.410 3.853 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2NCc1nccn1C(C)C ZINC000657796085 1119416667 /nfs/dbraw/zinc/41/66/67/1119416667.db2.gz BVULIUMOFGKMLU-KRWDZBQOSA-N 0 1 283.419 3.940 20 0 CHADMN Cc1cccc2c1CCC[C@H]2NCc1ccncc1F ZINC000657799384 1119422822 /nfs/dbraw/zinc/42/28/22/1119422822.db2.gz VXTGIDOXPDGNKZ-QGZVFWFLSA-N 0 1 270.351 3.696 20 0 CHADMN COc1cccc(CN[C@@H]2CCCc3c(C)cccc32)n1 ZINC000657799839 1119424776 /nfs/dbraw/zinc/42/47/76/1119424776.db2.gz ZIPARGNYLCHMEM-QGZVFWFLSA-N 0 1 282.387 3.566 20 0 CHADMN COc1cc2c(cc1F)CC[C@H]2NCc1ccoc1C ZINC000343466443 1119427692 /nfs/dbraw/zinc/42/76/92/1119427692.db2.gz BVFIWQVGIKMOJD-OAHLLOKOSA-N 0 1 275.323 3.513 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccccc2F)c1C ZINC000657804401 1119430367 /nfs/dbraw/zinc/43/03/67/1119430367.db2.gz YYGPLEICBDVKSH-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN CCCCC[C@@H](C)N[C@H]1c2cc(C)ccc2NC1=O ZINC000036792142 1119433026 /nfs/dbraw/zinc/43/30/26/1119433026.db2.gz RYVVKXJYGIFRRE-DOMZBBRYSA-N 0 1 260.381 3.547 20 0 CHADMN CC(C)CC[C@H]1CCCCN1Cc1nc(C2CC2)no1 ZINC000158128782 1119433693 /nfs/dbraw/zinc/43/36/93/1119433693.db2.gz UVYHIEUUEPJBME-CQSZACIVSA-N 0 1 277.412 3.738 20 0 CHADMN CC1(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC000583970777 1119444622 /nfs/dbraw/zinc/44/46/22/1119444622.db2.gz NAIKIUOVNAXPGF-UHFFFAOYSA-N 0 1 275.236 3.603 20 0 CHADMN CC1(CC(F)F)CN(Cc2ccc3[nH]ccc3c2)C1 ZINC000628321885 1128847589 /nfs/dbraw/zinc/84/75/89/1128847589.db2.gz LFJLVRNPCGIHDJ-UHFFFAOYSA-N 0 1 264.319 3.645 20 0 CHADMN C[C@H](O)[C@H](NCc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000657816723 1119452906 /nfs/dbraw/zinc/45/29/06/1119452906.db2.gz KTOKERSXNIUDHF-ZBEGNZNMSA-N 0 1 293.769 3.691 20 0 CHADMN C[C@H]1CCCCCN1Cc1nc(C2CC2)cs1 ZINC000343558385 1119453837 /nfs/dbraw/zinc/45/38/37/1119453837.db2.gz SYQUXNLTWRYKIT-NSHDSACASA-N 0 1 250.411 3.785 20 0 CHADMN COc1cccc([C@@H](C)N[C@@H](C)c2ccc(F)cn2)c1 ZINC000147766607 1119457112 /nfs/dbraw/zinc/45/71/12/1119457112.db2.gz HZNJYXYXPRMCRT-NEPJUHHUSA-N 0 1 274.339 3.641 20 0 CHADMN CCc1cnc(CN(C)C[C@@H](C)CC2CCOCC2)s1 ZINC000349974086 1119457350 /nfs/dbraw/zinc/45/73/50/1119457350.db2.gz LNRONVQGFGTVAX-ZDUSSCGKSA-N 0 1 296.480 3.590 20 0 CHADMN C[C@@H](N[C@@H]1CCCn2nccc21)c1cccc(Cl)c1 ZINC000657819737 1119461682 /nfs/dbraw/zinc/46/16/82/1119461682.db2.gz YOTXHTHHCAQREX-BXUZGUMPSA-N 0 1 275.783 3.722 20 0 CHADMN C[C@@H](O)[C@@H](NCc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000657820520 1119462911 /nfs/dbraw/zinc/46/29/11/1119462911.db2.gz WXNJTOOENIWRDC-BDJLRTHQSA-N 0 1 293.769 3.691 20 0 CHADMN Cc1ccc(CN[C@H](c2ccccc2)[C@H](C)O)c(Cl)c1 ZINC000657821182 1119465219 /nfs/dbraw/zinc/46/52/19/1119465219.db2.gz WZJDQHDRRTYNCM-GUYCJALGSA-N 0 1 289.806 3.860 20 0 CHADMN O=C([O-])[C@H](CC[N@H+]1CCC[C@H]2CCC[C@H]21)c1ccccc1 ZINC000565101260 1119467882 /nfs/dbraw/zinc/46/78/82/1119467882.db2.gz CYYJFDBAKQFVFG-BRWVUGGUSA-N 0 1 287.403 3.509 20 0 CHADMN C[C@@H](CC(=O)[O-])[N@@H+](C)CC1CCC(c2ccccc2)CC1 ZINC000584065159 1119470869 /nfs/dbraw/zinc/47/08/69/1119470869.db2.gz YLFOLKGKRAGWBP-UQPPLGOBSA-N 0 1 289.419 3.755 20 0 CHADMN C[C@H](CC(=O)[O-])[N@@H+](C)CC1CCC(c2ccccc2)CC1 ZINC000584065158 1119471403 /nfs/dbraw/zinc/47/14/03/1119471403.db2.gz YLFOLKGKRAGWBP-HPUBIQBYSA-N 0 1 289.419 3.755 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2c1cnn2C)c1ccccc1F ZINC000168755370 1119475031 /nfs/dbraw/zinc/47/50/31/1119475031.db2.gz HGULJDIZTXFVMO-HZPDHXFCSA-N 0 1 287.382 3.678 20 0 CHADMN CCOc1cc(CN2C[C@@H]3CCCC[C@@H]32)c(F)cc1OC ZINC000628328482 1128848826 /nfs/dbraw/zinc/84/88/26/1128848826.db2.gz OFLGGQVAFQGCQG-WFASDCNBSA-N 0 1 293.382 3.607 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CCN1Cc1nccs1 ZINC000343666763 1119483472 /nfs/dbraw/zinc/48/34/72/1119483472.db2.gz YFXACQCQWVKUQZ-HIFRSBDPSA-N 0 1 272.417 3.911 20 0 CHADMN COc1cncc(CN2CCC[C@H]2/C=C/c2ccccc2)c1 ZINC000343680784 1119485494 /nfs/dbraw/zinc/48/54/94/1119485494.db2.gz AKPOXQUFBRHYRP-BBVFFXRHSA-N 0 1 294.398 3.768 20 0 CHADMN Cc1ncc(CN2CCCCC[C@H]2c2ccco2)o1 ZINC000628176452 1119486122 /nfs/dbraw/zinc/48/61/22/1119486122.db2.gz KIZDCPHSOZAVPH-AWEZNQCLSA-N 0 1 260.337 3.693 20 0 CHADMN Clc1ncc(CN2CC[C@H]3CCCC[C@H]3C2)s1 ZINC000250780925 1119489861 /nfs/dbraw/zinc/48/98/61/1119489861.db2.gz RUACGPJBVAMXIR-MNOVXSKESA-N 0 1 270.829 3.809 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1ccccc1)c1ccccc1F ZINC000169061975 1119491807 /nfs/dbraw/zinc/49/18/07/1119491807.db2.gz DJQJOCOIQNZWNE-SJORKVTESA-N 0 1 273.351 3.600 20 0 CHADMN C[C@@H](NCc1cccc(Cl)c1F)c1ccncc1 ZINC000135375872 1119498572 /nfs/dbraw/zinc/49/85/72/1119498572.db2.gz NHCDUFLAIPKGHE-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN CCC[C@@H]1CCCN(Cc2csc(NCC)n2)C1 ZINC000708500733 1119501291 /nfs/dbraw/zinc/50/12/91/1119501291.db2.gz MDEQDMGALSGZSL-GFCCVEGCSA-N 0 1 267.442 3.587 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@H]1CCCn2nccc21 ZINC000657841450 1119503739 /nfs/dbraw/zinc/50/37/39/1119503739.db2.gz GJUJXSUYZQCPLS-LSDHHAIUSA-N 0 1 299.418 3.923 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@H]2CCC2CCCC2)n1 ZINC000628190648 1119503762 /nfs/dbraw/zinc/50/37/62/1119503762.db2.gz MGQUCHJWXVKDRI-HNNXBMFYSA-N 0 1 261.413 3.653 20 0 CHADMN Cc1nocc1CN(C)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000353569627 1119509487 /nfs/dbraw/zinc/50/94/87/1119509487.db2.gz OJHDNXOZMWQVLT-RYUDHWBXSA-N 0 1 276.302 3.536 20 0 CHADMN CCSc1ccc([C@@H](C)NCc2cnc(C)nc2)cc1 ZINC000348795374 1119511777 /nfs/dbraw/zinc/51/17/77/1119511777.db2.gz CQGLQCUVQPQOMJ-GFCCVEGCSA-N 0 1 287.432 3.748 20 0 CHADMN C[C@@H](CC1CC1)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000081393822 1119515207 /nfs/dbraw/zinc/51/52/07/1119515207.db2.gz VWWYFFQGVUJHFL-ZDUSSCGKSA-N 0 1 295.386 3.744 20 0 CHADMN CC(C)(C)C(F)(F)CNC[C@]1(C)CCCS1 ZINC000628352939 1128851372 /nfs/dbraw/zinc/85/13/72/1128851372.db2.gz ZZOLJIVHAGRZCE-NSHDSACASA-N 0 1 251.386 3.543 20 0 CHADMN FC(F)(F)c1ccc(Br)c(CNC2CC2)c1 ZINC000159756501 1119528767 /nfs/dbraw/zinc/52/87/67/1119528767.db2.gz ZEIMRRSZYLUTFJ-UHFFFAOYSA-N 0 1 294.114 3.720 20 0 CHADMN Cc1nc(CN2CC[C@H](c3cccc(F)c3)C2)sc1C ZINC000088595922 1119536884 /nfs/dbraw/zinc/53/68/84/1119536884.db2.gz ZPSLAQFEDOUWPT-AWEZNQCLSA-N 0 1 290.407 3.889 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2CCCc3ccc(F)cc32)c(C)n1 ZINC000089214316 1119537776 /nfs/dbraw/zinc/53/77/76/1119537776.db2.gz QIZHADAGQVWRBA-KPZWWZAWSA-N 0 1 299.393 3.961 20 0 CHADMN C[C@H](NCc1cccc(OC(F)F)c1)c1ccc(F)cn1 ZINC000089520346 1119542108 /nfs/dbraw/zinc/54/21/08/1119542108.db2.gz MVLYCNYJNFLHKN-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1cccs1)CO2 ZINC000090452753 1119544293 /nfs/dbraw/zinc/54/42/93/1119544293.db2.gz QBOCBRCZLRZBSR-WCQYABFASA-N 0 1 259.374 3.841 20 0 CHADMN COc1cccc([C@H](C)N[C@@H]2COc3ccc(C)cc32)c1 ZINC000090452421 1119544463 /nfs/dbraw/zinc/54/44/63/1119544463.db2.gz CLYSQTZKZHIUCY-SUMWQHHRSA-N 0 1 283.371 3.788 20 0 CHADMN COc1cc([C@H](C)N[C@H](C)c2cncc(F)c2)ccc1F ZINC000090956812 1119547215 /nfs/dbraw/zinc/54/72/15/1119547215.db2.gz MBBJJIHYGNAILG-WDEREUQCSA-N 0 1 292.329 3.780 20 0 CHADMN Cc1cccc2nc(CN[C@H](c3cccnc3)C(C)C)cn21 ZINC000091336261 1119555690 /nfs/dbraw/zinc/55/56/90/1119555690.db2.gz TWVTWHSQIJLKTB-SFHVURJKSA-N 0 1 294.402 3.525 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnn(C)c1)c1cc(C)ccc1OC ZINC000091727866 1119558270 /nfs/dbraw/zinc/55/82/70/1119558270.db2.gz SXLGGDXZAYHSSQ-BBRMVZONSA-N 0 1 287.407 3.539 20 0 CHADMN C[C@H](NCCC(F)(F)F)c1nc2c(s1)CCCC2 ZINC000091734739 1119558300 /nfs/dbraw/zinc/55/83/00/1119558300.db2.gz OUYASENZSKFCOQ-QMMMGPOBSA-N 0 1 278.343 3.625 20 0 CHADMN CC[C@H](N[C@@H](CO)c1ccccc1)c1cc(C)ccc1OC ZINC000091725466 1119558558 /nfs/dbraw/zinc/55/85/58/1119558558.db2.gz ZKZAEDXQJRVMJD-ROUUACIJSA-N 0 1 299.414 3.778 20 0 CHADMN CCCOc1ccc(CN[C@@H](C)c2ccc(F)cn2)cc1 ZINC000092739667 1119565268 /nfs/dbraw/zinc/56/52/68/1119565268.db2.gz DHZIRIGKVKNOQZ-ZDUSSCGKSA-N 0 1 288.366 3.860 20 0 CHADMN C[C@@H]1CCCN(Cc2ncccc2C(F)(F)F)CC1 ZINC000092586138 1119565668 /nfs/dbraw/zinc/56/56/68/1119565668.db2.gz CQYAJSIZVNVGEW-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN Nc1cc(Nc2ccncc2Oc2ccccc2)ccc1F ZINC001212328113 1128854746 /nfs/dbraw/zinc/85/47/46/1128854746.db2.gz MAKBKAXSZGVPJB-UHFFFAOYSA-N 0 1 295.317 3.761 20 0 CHADMN CSCc1ccc(CNCc2cccc(C)n2)cc1 ZINC000725119235 1119566429 /nfs/dbraw/zinc/56/64/29/1119566429.db2.gz RCKPJZSZTVGBAS-UHFFFAOYSA-N 0 1 272.417 3.543 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@@H](C)c1ccc(F)cn1 ZINC000092767734 1119567472 /nfs/dbraw/zinc/56/74/72/1119567472.db2.gz LPZZDOLQVATYBX-MEDUHNTESA-N 0 1 286.350 3.567 20 0 CHADMN Cc1cnc(CCN(C)Cc2cnc(C(C)C)s2)s1 ZINC000093773475 1119571311 /nfs/dbraw/zinc/57/13/11/1119571311.db2.gz HLJUHQNOXJDATA-UHFFFAOYSA-N 0 1 295.477 3.706 20 0 CHADMN Cc1ccoc1CN1CCCC[C@@H]1c1cccn1C ZINC000093845482 1119572437 /nfs/dbraw/zinc/57/24/37/1119572437.db2.gz LUAVORICPLOQLS-OAHLLOKOSA-N 0 1 258.365 3.654 20 0 CHADMN CC(C)c1ccc([C@H]2CCCN2Cc2c[nH]cn2)cc1 ZINC000093814533 1119573094 /nfs/dbraw/zinc/57/30/94/1119573094.db2.gz JSNXHVNPEFLDPC-QGZVFWFLSA-N 0 1 269.392 3.870 20 0 CHADMN CCc1ncc(CN2CCCC[C@@H]2c2cccn2C)s1 ZINC000093845300 1119573115 /nfs/dbraw/zinc/57/31/15/1119573115.db2.gz YBCXUZASYXGAMT-OAHLLOKOSA-N 0 1 289.448 3.771 20 0 CHADMN COC1CCN([C@@H](C)c2ccccc2Br)CC1 ZINC000139674548 1119579851 /nfs/dbraw/zinc/57/98/51/1119579851.db2.gz IFXRYQWOTWCQLL-NSHDSACASA-N 0 1 298.224 3.621 20 0 CHADMN Cc1cc(CN2CCC[C@]23CCOC3)cc(C(F)(F)F)c1 ZINC001143456910 1119591254 /nfs/dbraw/zinc/59/12/54/1119591254.db2.gz CEVFNLGIDVANLV-OAHLLOKOSA-N 0 1 299.336 3.769 20 0 CHADMN COCc1cccc(CNc2ccnc(C)c2Cl)c1 ZINC000312092358 1119595265 /nfs/dbraw/zinc/59/52/65/1119595265.db2.gz CLDPFDQWAKURCD-UHFFFAOYSA-N 0 1 276.767 3.802 20 0 CHADMN CCc1cc(CN[C@@H](C)c2cc3ccncc3s2)on1 ZINC000657886288 1119596087 /nfs/dbraw/zinc/59/60/87/1119596087.db2.gz IZMJVUKUFYHIDU-JTQLQIEISA-N 0 1 287.388 3.698 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000302809496 1119603905 /nfs/dbraw/zinc/60/39/05/1119603905.db2.gz LBNUGEOVZUZECZ-CYBMUJFWSA-N 0 1 255.336 3.945 20 0 CHADMN Cc1cnc(CNC[C@@H](C)c2ccc(C(F)(F)F)cc2)o1 ZINC000685428682 1119604619 /nfs/dbraw/zinc/60/46/19/1119604619.db2.gz SAOJNKXRUXMWQI-SNVBAGLBSA-N 0 1 298.308 3.895 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1ncccc1[O-] ZINC000685418900 1119604850 /nfs/dbraw/zinc/60/48/50/1119604850.db2.gz WNIJJUMCMTZHAP-LBPRGKRZSA-N 0 1 290.794 3.504 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1ncccc1[O-] ZINC000685418900 1119604853 /nfs/dbraw/zinc/60/48/53/1119604853.db2.gz WNIJJUMCMTZHAP-LBPRGKRZSA-N 0 1 290.794 3.504 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CC[N@@H+]1Cc1ncccc1[O-] ZINC000685431147 1119605932 /nfs/dbraw/zinc/60/59/32/1119605932.db2.gz GIWRYYCLGOJRBM-GOEBONIOSA-N 0 1 282.387 3.555 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1ncccc1[O-] ZINC000685431147 1119605934 /nfs/dbraw/zinc/60/59/34/1119605934.db2.gz GIWRYYCLGOJRBM-GOEBONIOSA-N 0 1 282.387 3.555 20 0 CHADMN CCN(Cc1ccncc1)Cc1nccc2ccccc21 ZINC000685451154 1119608932 /nfs/dbraw/zinc/60/89/32/1119608932.db2.gz RUTRSQSJXZCKPW-UHFFFAOYSA-N 0 1 277.371 3.652 20 0 CHADMN Cc1cnc(CN[C@@H](C)c2cc3ccncc3s2)s1 ZINC000657894130 1119618262 /nfs/dbraw/zinc/61/82/62/1119618262.db2.gz WHAUGVZSTMSVEO-JTQLQIEISA-N 0 1 289.429 3.912 20 0 CHADMN CO[C@@H](C)c1nc(CN[C@H](C)C(C)(C)C(F)F)cs1 ZINC000657902786 1119620056 /nfs/dbraw/zinc/62/00/56/1119620056.db2.gz QJHMMMCNYMBWLW-DTWKUNHWSA-N 0 1 292.395 3.620 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H]2CCCn3nccc32)cc1F ZINC000657905722 1119622908 /nfs/dbraw/zinc/62/29/08/1119622908.db2.gz UENORHJXXXLGRD-DOMZBBRYSA-N 0 1 273.355 3.516 20 0 CHADMN CN(CCc1ccccc1)Cc1cccc(O)c1Cl ZINC000381431833 1119624612 /nfs/dbraw/zinc/62/46/12/1119624612.db2.gz UURCFBFOUFXHAH-UHFFFAOYSA-N 0 1 275.779 3.720 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cccc(C(=O)OC)c1Cl ZINC000394470041 1119627390 /nfs/dbraw/zinc/62/73/90/1119627390.db2.gz DYNTXOGOTIFQNW-CYBMUJFWSA-N 0 1 295.810 3.891 20 0 CHADMN CC[C@@H](NCc1cn2ccccc2n1)c1ccccc1 ZINC000051628143 1119627789 /nfs/dbraw/zinc/62/77/89/1119627789.db2.gz XQWQZRSPDLCERY-MRXNPFEDSA-N 0 1 265.360 3.575 20 0 CHADMN Cc1nc(C)c(CN2CCCCC[C@H]2c2ccncc2)o1 ZINC000685561355 1119630659 /nfs/dbraw/zinc/63/06/59/1119630659.db2.gz YZZBCXXECHAMBQ-INIZCTEOSA-N 0 1 285.391 3.804 20 0 CHADMN COc1ccccc1C(C)(C)CN[C@H](C)c1cc(C)on1 ZINC000685646334 1119643962 /nfs/dbraw/zinc/64/39/62/1119643962.db2.gz QCUFXDABAWCQTM-CYBMUJFWSA-N 0 1 288.391 3.620 20 0 CHADMN C[C@H](NCc1noc(-c2ccsc2)n1)C1CCCCC1 ZINC000182689919 1119646538 /nfs/dbraw/zinc/64/65/38/1119646538.db2.gz GADLORGHANPVSC-NSHDSACASA-N 0 1 291.420 3.857 20 0 CHADMN C[C@H](C[N@@H+](CCC(=O)[O-])Cc1ccccc1)C(C)(C)C ZINC000692447136 1119652464 /nfs/dbraw/zinc/65/24/64/1119652464.db2.gz YYBULFKUCGWPBC-CQSZACIVSA-N 0 1 277.408 3.646 20 0 CHADMN COc1cc(F)cc(CNCc2ccccc2Cl)c1 ZINC000093970798 1119662553 /nfs/dbraw/zinc/66/25/53/1119662553.db2.gz DQWTYMDIJNNCCM-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2ccc(C(F)F)nc2)cn1 ZINC000658032279 1119668696 /nfs/dbraw/zinc/66/86/96/1119668696.db2.gz OZKZMGHLJUTSBT-LBPRGKRZSA-N 0 1 291.345 3.882 20 0 CHADMN CCCc1ccc(CN(CCOC)Cc2cccnc2)cc1 ZINC000191125842 1119671007 /nfs/dbraw/zinc/67/10/07/1119671007.db2.gz ZMALBERAKFKLDC-UHFFFAOYSA-N 0 1 298.430 3.683 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1cc(Cl)cc(Cl)c1 ZINC000658054852 1119675832 /nfs/dbraw/zinc/67/58/32/1119675832.db2.gz JOCIJAYERDNSNK-MRVPVSSYSA-N 0 1 284.190 3.876 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1ccccc1C ZINC000612006430 1119676151 /nfs/dbraw/zinc/67/61/51/1119676151.db2.gz AMCAPRZLTQRGPR-UHFFFAOYSA-N 0 1 291.354 3.946 20 0 CHADMN CC[C@@H](C)CCN[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000658120559 1119687470 /nfs/dbraw/zinc/68/74/70/1119687470.db2.gz KUCHAQGBXJGAPS-CZUORRHYSA-N 0 1 289.398 3.674 20 0 CHADMN CC[C@@H](C)CCN[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000658122225 1119688323 /nfs/dbraw/zinc/68/83/23/1119688323.db2.gz SHYWCEHUQYZMLI-CXAGYDPISA-N 0 1 287.382 3.731 20 0 CHADMN CC[C@@H](C)CCN[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000658122228 1119688615 /nfs/dbraw/zinc/68/86/15/1119688615.db2.gz SHYWCEHUQYZMLI-DYVFJYSZSA-N 0 1 287.382 3.731 20 0 CHADMN CCOc1ccc(CN[C@@H]2CCCc3ccccc32)o1 ZINC000892423278 1119692710 /nfs/dbraw/zinc/69/27/10/1119692710.db2.gz NVOZXKGMYSIGLY-MRXNPFEDSA-N 0 1 271.360 3.846 20 0 CHADMN C[C@H](NCCC(C)(C)F)c1ncc(Br)s1 ZINC000658192218 1119699606 /nfs/dbraw/zinc/69/96/06/1119699606.db2.gz BTWHRKLIKFNXPS-ZETCQYMHSA-N 0 1 295.221 3.694 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1cc(COC)cs1 ZINC000658209936 1119702408 /nfs/dbraw/zinc/70/24/08/1119702408.db2.gz LAFVQULXEKJINU-LBPRGKRZSA-N 0 1 290.432 3.703 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@@]2(C)CC2(F)F)cs1 ZINC000658218257 1119703429 /nfs/dbraw/zinc/70/34/29/1119703429.db2.gz IVUZBFIGKOFOFB-JOYOIKCWSA-N 0 1 274.380 3.962 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1cc2cnccc2o1 ZINC000658239592 1119710368 /nfs/dbraw/zinc/71/03/68/1119710368.db2.gz WMPLOJAQYMLBSA-BDJLRTHQSA-N 0 1 294.354 3.872 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccc(O)cc21)c1ccsc1 ZINC000658238557 1119710435 /nfs/dbraw/zinc/71/04/35/1119710435.db2.gz KATUFOCTNLLZLF-ZUZCIYMTSA-N 0 1 259.374 3.792 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@@H]2CCc3ccc(O)cc32)s1 ZINC000658239616 1119710444 /nfs/dbraw/zinc/71/04/44/1119710444.db2.gz NNELNMRVKRXTMJ-MEBBXXQBSA-N 0 1 288.416 3.804 20 0 CHADMN CC(C)[C@H](O)[C@H](N[C@@H](C)c1cncs1)c1ccccc1 ZINC000658286827 1119717781 /nfs/dbraw/zinc/71/77/81/1119717781.db2.gz BXBMFCJJVQWRBJ-MAZHCROVSA-N 0 1 290.432 3.552 20 0 CHADMN C[C@H](NCC1=CCCC1)c1ncc(Br)cc1F ZINC000658290807 1119718564 /nfs/dbraw/zinc/71/85/64/1119718564.db2.gz FVVDYHLBVWZINC-VIFPVBQESA-N 0 1 299.187 3.744 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccccn2)c2c(n1)CCCC2 ZINC000892431413 1119718576 /nfs/dbraw/zinc/71/85/76/1119718576.db2.gz PZOAWBJKFKSOJO-CQSZACIVSA-N 0 1 281.403 3.515 20 0 CHADMN C[C@@H](N[C@H]1CC[C@@H](C)c2ccsc21)c1nccn1C ZINC000658339051 1119727214 /nfs/dbraw/zinc/72/72/14/1119727214.db2.gz NRRGXVNACVIHNP-WZRBSPASSA-N 0 1 275.421 3.771 20 0 CHADMN CC[C@H](N[C@H]1CCCc2c(C)cccc21)c1nccn1C ZINC000658338544 1119727341 /nfs/dbraw/zinc/72/73/41/1119727341.db2.gz LKKHIYZHCOUMEY-IRXDYDNUSA-N 0 1 283.419 3.847 20 0 CHADMN COc1cccc(CN[C@H](C)c2cn3ccccc3n2)c1C ZINC000658346320 1119732376 /nfs/dbraw/zinc/73/23/76/1119732376.db2.gz GAQGCQZSUWXBOW-CQSZACIVSA-N 0 1 295.386 3.502 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CNCc1ccccc1F ZINC000892436121 1119733878 /nfs/dbraw/zinc/73/38/78/1119733878.db2.gz XDNSQCBTXKCYMH-UHFFFAOYSA-N 0 1 275.371 3.510 20 0 CHADMN c1csc(CC2CN(Cc3scnc3C3CC3)C2)c1 ZINC000628479009 1128865551 /nfs/dbraw/zinc/86/55/51/1128865551.db2.gz WTYTUWBSFMSVGN-UHFFFAOYSA-N 0 1 290.457 3.757 20 0 CHADMN Fc1ccc(CNCc2ccccc2CC(F)(F)F)nc1 ZINC000628494317 1128867453 /nfs/dbraw/zinc/86/74/53/1128867453.db2.gz KZUDLZYNXFXCAE-UHFFFAOYSA-N 0 1 298.283 3.615 20 0 CHADMN CC(C)Cc1ccc(CNCc2ccc(F)cc2)cn1 ZINC000892443452 1119740977 /nfs/dbraw/zinc/74/09/77/1119740977.db2.gz FOJWNBXMFGCBFX-UHFFFAOYSA-N 0 1 272.367 3.709 20 0 CHADMN CC1(NCc2csc(C(F)(F)F)n2)CCCC1 ZINC000892459415 1119744910 /nfs/dbraw/zinc/74/49/10/1119744910.db2.gz BNLFFYVDENDVLL-UHFFFAOYSA-N 0 1 264.316 3.584 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc(C)cc(C)c2)sn1 ZINC000404299402 1119750837 /nfs/dbraw/zinc/75/08/37/1119750837.db2.gz YTKSSHCMLDOJPI-CYBMUJFWSA-N 0 1 260.406 3.919 20 0 CHADMN Cc1nc(C)c(CN[C@H]2CC(C)(C)c3ccccc32)o1 ZINC000628229237 1119754392 /nfs/dbraw/zinc/75/43/92/1119754392.db2.gz NKVCQSXQDPHTAR-HNNXBMFYSA-N 0 1 270.376 3.804 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cc(C)ns1 ZINC000404475792 1119754631 /nfs/dbraw/zinc/75/46/31/1119754631.db2.gz QSCGGFKNVAJGCZ-GFCCVEGCSA-N 0 1 276.405 3.619 20 0 CHADMN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1cnc(C)o1 ZINC000628234486 1119756709 /nfs/dbraw/zinc/75/67/09/1119756709.db2.gz CHNFDFGTLHIHTP-BONVTDFDSA-N 0 1 294.782 3.502 20 0 CHADMN CCOc1ccc([C@H](C)NCc2ccc(OC)o2)cc1 ZINC000892479777 1119764260 /nfs/dbraw/zinc/76/42/60/1119764260.db2.gz OERONSXNGDLZSO-LBPRGKRZSA-N 0 1 275.348 3.538 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)s1)C[C@@](C)(O)c1ccccc1 ZINC000051953750 1119767398 /nfs/dbraw/zinc/76/73/98/1119767398.db2.gz JNAAHDUSYDCADM-OAHLLOKOSA-N 0 1 295.835 3.741 20 0 CHADMN CC1(C)SC[C@@H]1N[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000375847729 1119769080 /nfs/dbraw/zinc/76/90/80/1119769080.db2.gz BKFJKJXADXVCRZ-STQMWFEESA-N 0 1 279.453 3.515 20 0 CHADMN c1ccc2nc(CNCc3ccc(C4CC4)cc3)cnc2c1 ZINC000628251854 1119771503 /nfs/dbraw/zinc/77/15/03/1119771503.db2.gz XZPZKCKBTJUJIR-UHFFFAOYSA-N 0 1 289.382 3.797 20 0 CHADMN CCc1cccc(CN[C@@H](C)c2cc(OC)ccn2)c1 ZINC000926654615 1119774479 /nfs/dbraw/zinc/77/44/79/1119774479.db2.gz GGVRJQDCTCBOKC-ZDUSSCGKSA-N 0 1 270.376 3.503 20 0 CHADMN c1nc(C2CC2)oc1CN1CCC=C(c2ccccc2)C1 ZINC000628265422 1119775783 /nfs/dbraw/zinc/77/57/83/1119775783.db2.gz DNEKQJQRLWANJW-UHFFFAOYSA-N 0 1 280.371 3.841 20 0 CHADMN CC[C@@H]1C[N@@H+](C[C@H](OC)c2ccc(Cl)cc2)CCS1 ZINC000548918782 1119776188 /nfs/dbraw/zinc/77/61/88/1119776188.db2.gz AAFYPWRZNITYIP-CABCVRRESA-N 0 1 299.867 3.855 20 0 CHADMN Cc1cc(CNCc2cc(F)cc(F)c2)cs1 ZINC000394489987 1119777013 /nfs/dbraw/zinc/77/70/13/1119777013.db2.gz QJQXUEPHLKNHTH-UHFFFAOYSA-N 0 1 253.317 3.625 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C(C)C)C1CCCC1 ZINC000584474995 1119777016 /nfs/dbraw/zinc/77/70/16/1119777016.db2.gz PTSHRZISHDGUFV-UHFFFAOYSA-N 0 1 281.421 3.908 20 0 CHADMN C[C@@H](C[S@](C)=O)N(C)Cc1ccc(C2CCCC2)cc1 ZINC000343823200 1119786538 /nfs/dbraw/zinc/78/65/38/1119786538.db2.gz PKIBHSNKUUBKSL-XOBRGWDASA-N 0 1 293.476 3.543 20 0 CHADMN CCC[C@](C)(CC)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375963782 1119795593 /nfs/dbraw/zinc/79/55/93/1119795593.db2.gz LHKGTXLGDJVDOU-KRWDZBQOSA-N 0 1 291.439 3.641 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc2ccccc21)c1cn(C)cn1 ZINC000924548058 1119796780 /nfs/dbraw/zinc/79/67/80/1119796780.db2.gz XTPBWYKDQQKCPD-KBPBESRZSA-N 0 1 279.387 3.985 20 0 CHADMN C[C@H](c1cccc(F)c1)N(C)Cc1cccc(O)c1 ZINC000531140190 1119796808 /nfs/dbraw/zinc/79/68/08/1119796808.db2.gz YQZAIMJFWUUQTR-GFCCVEGCSA-N 0 1 259.324 3.724 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cccc3c2OCO3)cc1 ZINC000924548588 1119798017 /nfs/dbraw/zinc/79/80/17/1119798017.db2.gz IRYNVTYBWHWGRQ-ZDUSSCGKSA-N 0 1 269.344 3.575 20 0 CHADMN COc1ccc(CN(Cc2cnc(C)o2)C(C)(C)C)cc1 ZINC000628283545 1119804661 /nfs/dbraw/zinc/80/46/61/1119804661.db2.gz AAWCRCNTTFRUJT-UHFFFAOYSA-N 0 1 288.391 3.792 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000570256815 1119814412 /nfs/dbraw/zinc/81/44/12/1119814412.db2.gz WYRCHSJPQHSJKU-MNOVXSKESA-N 0 1 281.783 3.689 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(C)sc2C)o1 ZINC000892509829 1119816311 /nfs/dbraw/zinc/81/63/11/1119816311.db2.gz MYGXEBNEMYINSW-SNVBAGLBSA-N 0 1 265.378 3.817 20 0 CHADMN C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(F)(F)F ZINC000133275934 1119826361 /nfs/dbraw/zinc/82/63/61/1119826361.db2.gz XNNWORODIRHZMS-SSDOTTSWSA-N 0 1 273.283 3.515 20 0 CHADMN c1ccc(-c2nnc(CN3CCCCCCC3)s2)cc1 ZINC000155069511 1119834437 /nfs/dbraw/zinc/83/44/37/1119834437.db2.gz NFIZCKLPDUEYMV-UHFFFAOYSA-N 0 1 287.432 3.971 20 0 CHADMN C[C@@H](CO)[C@H](C)NCc1c(Cl)ccc(Cl)c1Cl ZINC000134976713 1128871985 /nfs/dbraw/zinc/87/19/85/1128871985.db2.gz DZADIGCXKKVZTC-YUMQZZPRSA-N 0 1 296.625 3.753 20 0 CHADMN c1coc(C2CCN(Cc3cnc(C4CC4)o3)CC2)c1 ZINC000628337382 1119847160 /nfs/dbraw/zinc/84/71/60/1119847160.db2.gz DRZNMHWKXNEEMD-UHFFFAOYSA-N 0 1 272.348 3.525 20 0 CHADMN Cc1cn[nH]c1C[N@@H+]1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC000685837881 1119856856 /nfs/dbraw/zinc/85/68/56/1119856856.db2.gz VDFDANZNGYUFNL-KSSFIOAISA-N 0 1 283.419 4.000 20 0 CHADMN Cc1c[nH]nc1CN1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC000685837881 1119856860 /nfs/dbraw/zinc/85/68/60/1119856860.db2.gz VDFDANZNGYUFNL-KSSFIOAISA-N 0 1 283.419 4.000 20 0 CHADMN FC(F)(F)c1ccccc1CNc1nccn1C1CC1 ZINC000236115996 1119859151 /nfs/dbraw/zinc/85/91/51/1119859151.db2.gz RHDYSBSNDZLIMQ-UHFFFAOYSA-N 0 1 281.281 3.849 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1ccn(C)n1)c1ccc(F)cc1 ZINC000414054034 1119867852 /nfs/dbraw/zinc/86/78/52/1119867852.db2.gz BHUKIRJFZFXWSQ-LRDDRELGSA-N 0 1 275.371 3.607 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2cc3n(n2)CCC3)cc1 ZINC000414062862 1119874673 /nfs/dbraw/zinc/87/46/73/1119874673.db2.gz DGSMEQVQENPHLY-KBPBESRZSA-N 0 1 269.392 3.550 20 0 CHADMN CC[C@H](N[C@@H](C)c1cc2n(n1)CCC2)c1ccccc1 ZINC000414065815 1119876624 /nfs/dbraw/zinc/87/66/24/1119876624.db2.gz GLBHOIDEGCYDRR-BBRMVZONSA-N 0 1 269.392 3.631 20 0 CHADMN Cn1cc(C(C)(C)NCc2ccc(-c3ccccc3)o2)cn1 ZINC000545290468 1119878796 /nfs/dbraw/zinc/87/87/96/1119878796.db2.gz BGZFUBUDHMRHHD-UHFFFAOYSA-N 0 1 295.386 3.705 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccnn2C2CCC2)c1C ZINC000926732282 1119886505 /nfs/dbraw/zinc/88/65/05/1119886505.db2.gz HUEHWESDXUHCDP-CQSZACIVSA-N 0 1 299.418 3.776 20 0 CHADMN CCC[C@@H](O)CN[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414109208 1119901329 /nfs/dbraw/zinc/90/13/29/1119901329.db2.gz GYHBQFYSRGAXSF-GXTWGEPZSA-N 0 1 290.432 3.622 20 0 CHADMN CC[C@@H](C)c1ccc([C@H](NC(=O)CN(C)C)C(C)C)cc1 ZINC000613323270 1119902499 /nfs/dbraw/zinc/90/24/99/1119902499.db2.gz XIOMSSMVYAKXQM-RDTXWAMCSA-N 0 1 290.451 3.575 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2NCCSc1ccccc1 ZINC000924572791 1119905501 /nfs/dbraw/zinc/90/55/01/1119905501.db2.gz DWJOPTSZGAOFTP-CQSZACIVSA-N 0 1 288.416 3.742 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](N[C@H](C)c1ccn(C)n1)CC2 ZINC000414127010 1119909180 /nfs/dbraw/zinc/90/91/80/1119909180.db2.gz FRHSFLUKNHPJFW-FZKQIMNGSA-N 0 1 283.419 3.882 20 0 CHADMN CO[C@@H](C)[C@H](C)N[C@H](C)c1csc(-c2ccccc2)n1 ZINC000414127980 1119909835 /nfs/dbraw/zinc/90/98/35/1119909835.db2.gz GGRWSVFAFUTUOO-XQQFMLRXSA-N 0 1 290.432 3.884 20 0 CHADMN COC(=O)c1cnc([C@@H](C)N[C@H](C)CCC=C(C)C)s1 ZINC000414151480 1119917372 /nfs/dbraw/zinc/91/73/72/1119917372.db2.gz QCQKEYMDUCTTRW-VXGBXAGGSA-N 0 1 296.436 3.715 20 0 CHADMN Cc1cc(CNCc2ccc(OC(C)C)cc2)cnc1F ZINC000892544041 1119920378 /nfs/dbraw/zinc/92/03/78/1119920378.db2.gz AZTXOKZMGOHLOV-UHFFFAOYSA-N 0 1 288.366 3.606 20 0 CHADMN COc1ccccc1CN(CC=C(C)C)C[C@H]1CCCO1 ZINC000613421410 1119921606 /nfs/dbraw/zinc/92/16/06/1119921606.db2.gz IRQPFZKBWZSVDX-QGZVFWFLSA-N 0 1 289.419 3.642 20 0 CHADMN CC(C)(C)c1noc(CN2CCC[C@@H]2C2CCCCC2)n1 ZINC000613481164 1119936212 /nfs/dbraw/zinc/93/62/12/1119936212.db2.gz UERQDSPAOJWRQU-CQSZACIVSA-N 0 1 291.439 3.912 20 0 CHADMN COCC[C@@H](C)CN[C@@H](CCc1ccccc1)C(F)F ZINC000414203113 1119936761 /nfs/dbraw/zinc/93/67/61/1119936761.db2.gz NFSOLWSZPWBYNP-HIFRSBDPSA-N 0 1 285.378 3.515 20 0 CHADMN c1c[nH]c([C@@H](NC[C@@H]2CCC[C@H]2C2CC2)c2ccccc2)n1 ZINC000414206389 1119939669 /nfs/dbraw/zinc/93/96/69/1119939669.db2.gz YLHGHCMHNOBHAQ-BZSNNMDCSA-N 0 1 295.430 3.915 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1nccs1 ZINC000414226684 1119946565 /nfs/dbraw/zinc/94/65/65/1119946565.db2.gz UOMRGMNVDVSXAZ-SDDRHHMPSA-N 0 1 282.453 3.776 20 0 CHADMN COc1cccc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)c1F ZINC000628392099 1119948731 /nfs/dbraw/zinc/94/87/31/1119948731.db2.gz KKTFWPDONPEWIJ-QWRGUYRKSA-N 0 1 287.325 3.557 20 0 CHADMN C[C@@H](NCc1cnccc1C(C)(C)C)c1cccnc1 ZINC000414238186 1119952534 /nfs/dbraw/zinc/95/25/34/1119952534.db2.gz XFHUTSZNFPKHNE-CYBMUJFWSA-N 0 1 269.392 3.625 20 0 CHADMN COc1ccc(F)c(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000628392471 1119953164 /nfs/dbraw/zinc/95/31/64/1119953164.db2.gz QPUCOYILEZYFAR-PHIMTYICSA-N 0 1 287.325 3.557 20 0 CHADMN CCc1ncc(CN[C@@H](CC)c2ccc(Cl)cc2)cn1 ZINC000414275236 1119963188 /nfs/dbraw/zinc/96/31/88/1119963188.db2.gz REAJPXDYLVJPPZ-HNNXBMFYSA-N 0 1 289.810 3.933 20 0 CHADMN C[C@@H](CN[C@@H](c1ncc[nH]1)c1ccccc1)CC(F)(F)F ZINC000414277835 1119964350 /nfs/dbraw/zinc/96/43/50/1119964350.db2.gz ZSKAXDZLMSQESN-DGCLKSJQSA-N 0 1 297.324 3.677 20 0 CHADMN Oc1cccc(CN[C@@H]2CCc3sc(Cl)cc32)c1 ZINC000334354899 1119964359 /nfs/dbraw/zinc/96/43/59/1119964359.db2.gz JZVQQPDZXYCOBX-GFCCVEGCSA-N 0 1 279.792 3.884 20 0 CHADMN c1nc2cc(-c3nc(C4CCCCC4)no3)ccc2[nH]1 ZINC000923788322 1119964652 /nfs/dbraw/zinc/96/46/52/1119964652.db2.gz LYEMJPDTALUKQD-UHFFFAOYSA-N 0 1 268.320 3.661 20 0 CHADMN COc1ccc(OC)c([C@H](C)N[C@@H]2CCCC[C@H]2F)c1 ZINC000414289124 1119968701 /nfs/dbraw/zinc/96/87/01/1119968701.db2.gz RBSVPYMTYWTQEX-NILFDRSVSA-N 0 1 281.371 3.635 20 0 CHADMN CCc1ncc(CN[C@H](C)c2cccc(OC(C)C)c2)cn1 ZINC000414288676 1119968738 /nfs/dbraw/zinc/96/87/38/1119968738.db2.gz QBAPPLGZORCOMP-CQSZACIVSA-N 0 1 299.418 3.677 20 0 CHADMN CCn1ccnc1NCc1cnc(-c2ccc(C)cc2)s1 ZINC000414292643 1119969358 /nfs/dbraw/zinc/96/93/58/1119969358.db2.gz BQSBTQHYXPLYQT-UHFFFAOYSA-N 0 1 298.415 3.947 20 0 CHADMN CC[C@H](C)[N@@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000170915803 1119969453 /nfs/dbraw/zinc/96/94/53/1119969453.db2.gz FZNGZPUUGSADNG-NSHDSACASA-N 0 1 262.328 3.711 20 0 CHADMN CC[C@H](C)N(C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000170915803 1119969455 /nfs/dbraw/zinc/96/94/55/1119969455.db2.gz FZNGZPUUGSADNG-NSHDSACASA-N 0 1 262.328 3.711 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1csnn1 ZINC000414300159 1119973530 /nfs/dbraw/zinc/97/35/30/1119973530.db2.gz KUDOVAXHNRURBN-QEJZJMRPSA-N 0 1 287.432 3.600 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)no1 ZINC000414330927 1119986527 /nfs/dbraw/zinc/98/65/27/1119986527.db2.gz JPWXKFCUYWSPHQ-BNOWGMLFSA-N 0 1 280.412 3.616 20 0 CHADMN CCOc1ncccc1CN[C@H]1CCCNc2ccccc21 ZINC000186405527 1119988250 /nfs/dbraw/zinc/98/82/50/1119988250.db2.gz PJZLAODADLEBBJ-KRWDZBQOSA-N 0 1 297.402 3.517 20 0 CHADMN CCc1nocc1CN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000660179045 1128883009 /nfs/dbraw/zinc/88/30/09/1128883009.db2.gz IXNHUTPDOSAUTE-CYBMUJFWSA-N 0 1 288.391 3.875 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2cccc(OC)c2)o1 ZINC000892633545 1119998219 /nfs/dbraw/zinc/99/82/19/1119998219.db2.gz FYMPOUIHNYBUQB-GFCCVEGCSA-N 0 1 275.348 3.538 20 0 CHADMN CCc1ncc(CN(C)[C@H](C)c2ccc(C)cc2)cn1 ZINC000414372179 1120003872 /nfs/dbraw/zinc/00/38/72/1120003872.db2.gz OULATWOECNBDHX-CQSZACIVSA-N 0 1 269.392 3.540 20 0 CHADMN Cc1ccc(-c2nnc([C@H](C)N3CCCC4(CC4)C3)o2)cc1 ZINC000187002720 1120010010 /nfs/dbraw/zinc/01/00/10/1120010010.db2.gz GOBRIVZQQQRBKZ-AWEZNQCLSA-N 0 1 297.402 3.982 20 0 CHADMN Cc1cccc2nc(CCC(=O)N(C(C)C)C3CCC3)[nH]c21 ZINC000176914714 1120013605 /nfs/dbraw/zinc/01/36/05/1120013605.db2.gz MZSTVYQHHJOEAZ-UHFFFAOYSA-N 0 1 299.418 3.593 20 0 CHADMN CN(CCc1ccccc1F)Cc1ccccc1F ZINC000511511704 1120031723 /nfs/dbraw/zinc/03/17/23/1120031723.db2.gz ZCJGNJQRWVQWJW-UHFFFAOYSA-N 0 1 261.315 3.639 20 0 CHADMN CCc1ncc(CNCc2csc(C)c2C)s1 ZINC000399996923 1120037331 /nfs/dbraw/zinc/03/73/31/1120037331.db2.gz OXLFZILRTIMSDM-UHFFFAOYSA-N 0 1 266.435 3.674 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CN1CC(=O)Nc1ccccc1 ZINC000115556207 1120043297 /nfs/dbraw/zinc/04/32/97/1120043297.db2.gz VDOVKRRRIFLGJV-WBVHZDCISA-N 0 1 294.398 3.503 20 0 CHADMN CCCCc1noc(CN2C[C@H](c3ccccc3)C[C@@H]2C)n1 ZINC000115554498 1120044207 /nfs/dbraw/zinc/04/42/07/1120044207.db2.gz VKKXZRLKACQHSE-GOEBONIOSA-N 0 1 299.418 3.790 20 0 CHADMN CC(C)CCN(Cc1ccccn1)Cc1ccccn1 ZINC000165195609 1120048789 /nfs/dbraw/zinc/04/87/89/1120048789.db2.gz WNSKCHQBZQLNMK-UHFFFAOYSA-N 0 1 269.392 3.525 20 0 CHADMN CN(Cc1cc(Cl)ccc1F)CC1(O)CCCCCC1 ZINC001307702788 1120049750 /nfs/dbraw/zinc/04/97/50/1120049750.db2.gz RUFZXKXKQSDZKS-UHFFFAOYSA-N 0 1 299.817 3.996 20 0 CHADMN COCC1(CN(Cc2ccco2)Cc2ccco2)CCC1 ZINC000361289967 1120054582 /nfs/dbraw/zinc/05/45/82/1120054582.db2.gz QXHZZYKQDINOQO-UHFFFAOYSA-N 0 1 289.375 3.692 20 0 CHADMN COc1ccc(-c2cccc(CN(C)C)c2F)c(OC)c1 ZINC001239623131 1120058976 /nfs/dbraw/zinc/05/89/76/1120058976.db2.gz FHTAXCWOSVKARS-UHFFFAOYSA-N 0 1 289.350 3.572 20 0 CHADMN COc1ccccc1C(C)(C)NCc1ccnn1C1CCC1 ZINC000921671401 1120063837 /nfs/dbraw/zinc/06/38/37/1120063837.db2.gz ASFUZWZQMOBVAL-UHFFFAOYSA-N 0 1 299.418 3.642 20 0 CHADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1ccc(C(C)(C)C)s1 ZINC000166282598 1120065302 /nfs/dbraw/zinc/06/53/02/1120065302.db2.gz CMJWIOLPHDEQLC-UHFFFAOYSA-N 0 1 283.437 3.588 20 0 CHADMN COc1cc([C@@H](C)N[C@H](c2cccs2)C2CC2)on1 ZINC000924593030 1120083284 /nfs/dbraw/zinc/08/32/84/1120083284.db2.gz UVLOPQSTYOHZQA-OTYXRUKQSA-N 0 1 278.377 3.547 20 0 CHADMN Cc1ccc(C)c(N2N=C3CCCCC[C@@H]3C2=O)c1 ZINC000105669026 1120083711 /nfs/dbraw/zinc/08/37/11/1120083711.db2.gz BTYIOGOOOLPSBM-ZDUSSCGKSA-N 0 1 256.349 3.586 20 0 CHADMN Cc1ccc(C)c(-n2[nH]c3c(c2=O)CCCCC3)c1 ZINC000105669026 1120083716 /nfs/dbraw/zinc/08/37/16/1120083716.db2.gz BTYIOGOOOLPSBM-ZDUSSCGKSA-N 0 1 256.349 3.586 20 0 CHADMN O=C1[C@H]2CCCCCC2=NN1c1cccc(C(F)(F)F)c1 ZINC000105668862 1120084039 /nfs/dbraw/zinc/08/40/39/1120084039.db2.gz XYOBNDJFQAKEQD-LBPRGKRZSA-N 0 1 296.292 3.988 20 0 CHADMN O=c1c2c([nH]n1-c1cccc(C(F)(F)F)c1)CCCCC2 ZINC000105668862 1120084046 /nfs/dbraw/zinc/08/40/46/1120084046.db2.gz XYOBNDJFQAKEQD-LBPRGKRZSA-N 0 1 296.292 3.988 20 0 CHADMN c1cn2c(n1)[C@H](NCc1cccc3ccsc31)CCC2 ZINC000655791948 1120091684 /nfs/dbraw/zinc/09/16/84/1120091684.db2.gz HVWNYOIZDIWULZ-CQSZACIVSA-N 0 1 283.400 3.723 20 0 CHADMN CCC[C@H]1CCCCN1Cc1nc(C2CCCC2)no1 ZINC000179520389 1120093254 /nfs/dbraw/zinc/09/32/54/1120093254.db2.gz OGFAEOMUCBZVBR-AWEZNQCLSA-N 0 1 277.412 3.882 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1cnc2ccccc2n1 ZINC000589840048 1120095518 /nfs/dbraw/zinc/09/55/18/1120095518.db2.gz XVOVEOAVXIRMCW-QGZVFWFLSA-N 0 1 289.382 3.715 20 0 CHADMN c1ccc(C2(NCc3cnc4ccccc4n3)CCC2)cc1 ZINC000589838281 1120096059 /nfs/dbraw/zinc/09/60/59/1120096059.db2.gz LXWJJLLYJUXMQE-UHFFFAOYSA-N 0 1 289.382 3.799 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@H](C)Cc2ccccn2)cs1 ZINC000655835012 1120097282 /nfs/dbraw/zinc/09/72/82/1120097282.db2.gz JIIYFPQGOCAXEM-CHWSQXEVSA-N 0 1 289.448 3.943 20 0 CHADMN COc1ccc(CNCc2sc(C)nc2C)cc1Cl ZINC000311714412 1120102913 /nfs/dbraw/zinc/10/29/13/1120102913.db2.gz OJWRVHKRRJWLND-UHFFFAOYSA-N 0 1 296.823 3.712 20 0 CHADMN CCC[C@@H](NCc1cnc2c(C)cccn12)c1ccccn1 ZINC001649118102 1120104048 /nfs/dbraw/zinc/10/40/48/1120104048.db2.gz YNPDPEKQIRKJHN-MRXNPFEDSA-N 0 1 294.402 3.669 20 0 CHADMN Clc1ccc([C@@H]2CCN(Cc3cnco3)C2)cc1Cl ZINC001140932261 1120106950 /nfs/dbraw/zinc/10/69/50/1120106950.db2.gz GTHWLAQBOMQYEN-LLVKDONJSA-N 0 1 297.185 3.971 20 0 CHADMN c1csc(-c2nc(CN[C@@H]3CCC34CCC4)co2)c1 ZINC000282295091 1120108153 /nfs/dbraw/zinc/10/81/53/1120108153.db2.gz SHSHQUABIKXCED-CYBMUJFWSA-N 0 1 274.389 3.825 20 0 CHADMN CCC[C@H](NCc1cnn(CC2CCC2)c1)c1ccccn1 ZINC000921684750 1120109114 /nfs/dbraw/zinc/10/91/14/1120109114.db2.gz RWFCPRQGGOVNDX-KRWDZBQOSA-N 0 1 298.434 3.709 20 0 CHADMN CC[N@@H+](Cc1cc(C)ccc1C)C1CCC(C(=O)[O-])CC1 ZINC000659791930 1120111009 /nfs/dbraw/zinc/11/10/09/1120111009.db2.gz BOOMUDZCCWDMRP-UHFFFAOYSA-N 0 1 289.419 3.769 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000659798314 1120111684 /nfs/dbraw/zinc/11/16/84/1120111684.db2.gz AYBBQGMRRRMLRM-HNNXBMFYSA-N 0 1 299.370 3.558 20 0 CHADMN CCc1ccc([C@@H]2CC[N@@H+](CCCCCC(=O)[O-])C2)cc1 ZINC000659795870 1120112237 /nfs/dbraw/zinc/11/22/37/1120112237.db2.gz SZZCWXYLXJVTFT-QGZVFWFLSA-N 0 1 289.419 3.683 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](C/C=C\c1ccc(Cl)cc1)C1CCC1 ZINC000659794993 1120112396 /nfs/dbraw/zinc/11/23/96/1120112396.db2.gz CXBPMXMLUOPJTN-MVZIDQBPSA-N 0 1 293.794 3.681 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000659802936 1120113566 /nfs/dbraw/zinc/11/35/66/1120113566.db2.gz AIJYWQWUCZDHBZ-GXTWGEPZSA-N 0 1 299.370 3.701 20 0 CHADMN Cc1ccccc1[C@@H](C)[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000659800373 1120113581 /nfs/dbraw/zinc/11/35/81/1120113581.db2.gz YQTPQHJCYPCHAM-VKJFTORMSA-N 0 1 287.403 3.633 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000659804486 1120114276 /nfs/dbraw/zinc/11/42/76/1120114276.db2.gz YBNWVIOGLVWUBV-CABCVRRESA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@H](Cc1ccccc1)[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000659803945 1120114527 /nfs/dbraw/zinc/11/45/27/1120114527.db2.gz PNOZPVSFIVHQHT-INIZCTEOSA-N 0 1 297.398 3.595 20 0 CHADMN C[N@@H+](Cc1ccc(-c2ccccc2)cc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659802389 1120114896 /nfs/dbraw/zinc/11/48/96/1120114896.db2.gz UAVIVYFJBDDWKP-HDICACEKSA-N 0 1 295.382 3.649 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC(c2cn[nH]c2)CC1 ZINC000356744725 1120118573 /nfs/dbraw/zinc/11/85/73/1120118573.db2.gz PQUMDPIMHRBPSS-NSHDSACASA-N 0 1 291.345 3.629 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)N(Cc2cncc(F)c2)C1 ZINC000353240426 1120121596 /nfs/dbraw/zinc/12/15/96/1120121596.db2.gz XXSGGBYOLLORNR-GUYCJALGSA-N 0 1 270.351 3.804 20 0 CHADMN Cc1ccc(C)c(N[C@H]2CCNc3ccccc32)n1 ZINC001168638729 1120123394 /nfs/dbraw/zinc/12/33/94/1120123394.db2.gz MNIFHAMTPKYTCY-HNNXBMFYSA-N 0 1 253.349 3.667 20 0 CHADMN CCN(C)c1ccccc1CN[C@H](C)c1ccco1 ZINC000765848505 1120127866 /nfs/dbraw/zinc/12/78/66/1120127866.db2.gz HRJBPOWSQDBLLN-CYBMUJFWSA-N 0 1 258.365 3.587 20 0 CHADMN COCc1ccccc1CN[C@@H](C)c1ccnn1C1CCC1 ZINC000924601758 1120128104 /nfs/dbraw/zinc/12/81/04/1120128104.db2.gz TZCWNYVWVMCDTD-AWEZNQCLSA-N 0 1 299.418 3.605 20 0 CHADMN CCCCN(CC)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000929233124 1120130490 /nfs/dbraw/zinc/13/04/90/1120130490.db2.gz DNQLOHCTXUTPPT-UHFFFAOYSA-N 0 1 292.423 3.528 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)OCO2)c1cccc(F)c1F ZINC000183205507 1120130692 /nfs/dbraw/zinc/13/06/92/1120130692.db2.gz IUDJGNCLCLJVRF-SNVBAGLBSA-N 0 1 291.297 3.544 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccc(OC)cc2)o1 ZINC000892741528 1120134163 /nfs/dbraw/zinc/13/41/63/1120134163.db2.gz COXIKPYZKMKETQ-LBPRGKRZSA-N 0 1 275.348 3.538 20 0 CHADMN CC(C)c1nnc(CNC[C@H](C)c2cccc(F)c2)s1 ZINC000892745565 1120135127 /nfs/dbraw/zinc/13/51/27/1120135127.db2.gz RZHURDGOYPVRAK-NSHDSACASA-N 0 1 293.411 3.694 20 0 CHADMN CCN(CCC=C(C)C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000659834711 1120137774 /nfs/dbraw/zinc/13/77/74/1120137774.db2.gz YOACQUULKMQVJD-UHFFFAOYSA-N 0 1 285.391 3.514 20 0 CHADMN Cc1cc(CN(Cc2ccccc2)C(C)C)nc(C)n1 ZINC000659835313 1120140129 /nfs/dbraw/zinc/14/01/29/1120140129.db2.gz GMGPHHUNYBOKCS-UHFFFAOYSA-N 0 1 269.392 3.504 20 0 CHADMN C[C@@H](NCCOC(C)(C)C)c1ccc(F)cc1Cl ZINC000183778339 1120141012 /nfs/dbraw/zinc/14/10/12/1120141012.db2.gz IRTBIJORBGSFLA-SNVBAGLBSA-N 0 1 273.779 3.945 20 0 CHADMN CCC(=O)CCCSc1nc2ccc(C)cc2[nH]1 ZINC000183820612 1120142073 /nfs/dbraw/zinc/14/20/73/1120142073.db2.gz PGQWOWXHLJHLMU-UHFFFAOYSA-N 0 1 262.378 3.723 20 0 CHADMN Cc1ccc(CN(C)Cc2sc(C)nc2C)s1 ZINC000172777977 1120146923 /nfs/dbraw/zinc/14/69/23/1120146923.db2.gz WXIFKMPDVSLOFR-UHFFFAOYSA-N 0 1 266.435 3.762 20 0 CHADMN Cc1cc(Nc2cc(Cl)ccc2N)n(-c2ccncc2)n1 ZINC001212431099 1120147514 /nfs/dbraw/zinc/14/75/14/1120147514.db2.gz MMDASFPVIXLYRA-UHFFFAOYSA-N 0 1 299.765 3.555 20 0 CHADMN C[C@@H]1C[C@H](NCc2cccc3c2OCO3)c2ccccc21 ZINC000313781118 1120149523 /nfs/dbraw/zinc/14/95/23/1120149523.db2.gz AVTBVAOCPKERRZ-WBMJQRKESA-N 0 1 281.355 3.753 20 0 CHADMN COc1cc([C@@H](C)NCc2ccc(C)c(C)n2)ccc1F ZINC000313862013 1120153908 /nfs/dbraw/zinc/15/39/08/1120153908.db2.gz WJRWCYKOSHPVPY-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[C@H](C)C1 ZINC000466704984 1120154926 /nfs/dbraw/zinc/15/49/26/1120154926.db2.gz FOYSBXXOEUITIN-WDEREUQCSA-N 0 1 291.782 3.793 20 0 CHADMN Cc1ccc(CNCc2ccc(Cl)c(F)c2)nc1C ZINC000313877378 1120155747 /nfs/dbraw/zinc/15/57/47/1120155747.db2.gz BGLBBCMURXONES-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN CN(C)/C=C/c1ccncc1N[C@@H]1CCNc2ccccc21 ZINC001168648074 1120158270 /nfs/dbraw/zinc/15/82/70/1120158270.db2.gz HSRMQXBHOZBXTJ-XLNAKTSKSA-N 0 1 294.402 3.583 20 0 CHADMN CC(C)(C)CCc1noc(-c2cc3cccnc3[nH]2)n1 ZINC000643117809 1120161851 /nfs/dbraw/zinc/16/18/51/1120161851.db2.gz QETFFKYKXFIHAH-UHFFFAOYSA-N 0 1 270.336 3.592 20 0 CHADMN c1ccc(C2(NCc3nccc4c3CCCC4)CC2)cc1 ZINC000921717079 1120170780 /nfs/dbraw/zinc/17/07/80/1120170780.db2.gz PYNDSUNJNKTQTN-UHFFFAOYSA-N 0 1 278.399 3.739 20 0 CHADMN Cc1nc(CN2CCC[C@H]2Cc2cccc(F)c2)c(C)o1 ZINC000659845514 1120173686 /nfs/dbraw/zinc/17/36/86/1120173686.db2.gz JOIBWFWVUSLTBC-INIZCTEOSA-N 0 1 288.366 3.638 20 0 CHADMN COc1nccc(CN[C@H](C)c2cccc(C)c2C)c1F ZINC000892949163 1120174911 /nfs/dbraw/zinc/17/49/11/1120174911.db2.gz MNAXIHUMTGEHAJ-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN CCc1nc(CN[C@H]2Cc3ccc(Cl)cc3C2)cs1 ZINC000328399929 1120174959 /nfs/dbraw/zinc/17/49/59/1120174959.db2.gz VXBSWIKAYYEUAA-ZDUSSCGKSA-N 0 1 292.835 3.616 20 0 CHADMN C[C@@H]1CC[C@H](NCc2nc(Cc3ccccc3)no2)[C@H](C)C1 ZINC000112223999 1120175332 /nfs/dbraw/zinc/17/53/32/1120175332.db2.gz WEGDPVRIDPHTIR-FMKPAKJESA-N 0 1 299.418 3.575 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2cccc(Cl)c2)nc(C)n1 ZINC000659846342 1120178716 /nfs/dbraw/zinc/17/87/16/1120178716.db2.gz GGNODRKRDSCHDK-LBPRGKRZSA-N 0 1 289.810 3.940 20 0 CHADMN Cc1ncsc1CNCc1ccc(C)cc1Cl ZINC000404524481 1120180179 /nfs/dbraw/zinc/18/01/79/1120180179.db2.gz KCMWVKSKLNOLRQ-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)CCO[C@H]1CC1(F)F ZINC000659847786 1120180363 /nfs/dbraw/zinc/18/03/63/1120180363.db2.gz RKFCPPHKEMMITD-GWCFXTLKSA-N 0 1 289.753 3.757 20 0 CHADMN CCC(CC)[C@H](NCc1ccn(C)n1)c1ccccc1 ZINC000394874555 1120181514 /nfs/dbraw/zinc/18/15/14/1120181514.db2.gz BTFCBFDOSUIJIM-KRWDZBQOSA-N 0 1 271.408 3.687 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)CCO[C@H]1CC1(F)F ZINC000659847788 1120182807 /nfs/dbraw/zinc/18/28/07/1120182807.db2.gz RKFCPPHKEMMITD-MFKMUULPSA-N 0 1 289.753 3.757 20 0 CHADMN CCCSC[C@H](C)N[C@@H](C)c1csc(CC)n1 ZINC000892977134 1120185961 /nfs/dbraw/zinc/18/59/61/1120185961.db2.gz JTVRBYYCSHFYMC-QWRGUYRKSA-N 0 1 272.483 3.888 20 0 CHADMN Cn1nc(C2CCCC2)cc1NCc1ccc2nc[nH]c2c1 ZINC000542864398 1120189552 /nfs/dbraw/zinc/18/95/52/1120189552.db2.gz CCCDAKWUCAPHQQ-UHFFFAOYSA-N 0 1 295.390 3.566 20 0 CHADMN COc1cccc2c1CN(C[C@H]1C[C@@H]1c1ccccc1)C2 ZINC000628462180 1120192824 /nfs/dbraw/zinc/19/28/24/1120192824.db2.gz JQHYFIMGGTVNED-IAGOWNOFSA-N 0 1 279.383 3.815 20 0 CHADMN CC[C@H](NCc1cncs1)c1ccccc1OC(F)F ZINC000135869552 1120197385 /nfs/dbraw/zinc/19/73/85/1120197385.db2.gz LYDFRFYUMLHRGZ-LBPRGKRZSA-N 0 1 298.358 3.985 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccccc2)c1F ZINC000165778990 1120199028 /nfs/dbraw/zinc/19/90/28/1120199028.db2.gz DVVRQUOHVOLLAS-LBPRGKRZSA-N 0 1 259.324 3.685 20 0 CHADMN C[C@H](COc1cccc(F)c1)NCc1ccc(Cl)o1 ZINC000060527598 1120201243 /nfs/dbraw/zinc/20/12/43/1120201243.db2.gz TUGNNPFJIKXFDN-SNVBAGLBSA-N 0 1 283.730 3.629 20 0 CHADMN CCCCN(Cc1cn(C)cn1)[C@H](C)c1ccccc1 ZINC000659859553 1120201737 /nfs/dbraw/zinc/20/17/37/1120201737.db2.gz JTFZQNXSZHBPEI-OAHLLOKOSA-N 0 1 271.408 3.783 20 0 CHADMN Fc1cccc(C2(NCc3cccc4c3OCC4)CC2)c1 ZINC000921769509 1120206192 /nfs/dbraw/zinc/20/61/92/1120206192.db2.gz RKFZVLDJMIKRME-UHFFFAOYSA-N 0 1 283.346 3.540 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1ccc(C)c(F)c1 ZINC000073007298 1120206322 /nfs/dbraw/zinc/20/63/22/1120206322.db2.gz YOJREAWRLVVBMK-JTQLQIEISA-N 0 1 262.328 3.590 20 0 CHADMN COC[C@H](NCc1ccc(Cl)cc1)c1ccccc1 ZINC000113355642 1120207900 /nfs/dbraw/zinc/20/79/00/1120207900.db2.gz GJKRWDNPBOHKHU-INIZCTEOSA-N 0 1 275.779 3.817 20 0 CHADMN C[C@H](c1cccc(Cl)c1)N1CCC[C@H](n2cccn2)C1 ZINC000338724751 1120212614 /nfs/dbraw/zinc/21/26/14/1120212614.db2.gz JYJRBHOSXKMBHH-CJNGLKHVSA-N 0 1 289.810 3.935 20 0 CHADMN CCCCc1nc(C[N@@H+](CCO)C2CCCCC2)cs1 ZINC000110035986 1120213423 /nfs/dbraw/zinc/21/34/23/1120213423.db2.gz HUZTVVDWZCAHQP-UHFFFAOYSA-N 0 1 296.480 3.613 20 0 CHADMN CCCCc1nc(CN(CCO)C2CCCCC2)cs1 ZINC000110035986 1120213425 /nfs/dbraw/zinc/21/34/25/1120213425.db2.gz HUZTVVDWZCAHQP-UHFFFAOYSA-N 0 1 296.480 3.613 20 0 CHADMN CS[C@@H](C)CN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343848599 1120215194 /nfs/dbraw/zinc/21/51/94/1120215194.db2.gz FKIMOOIOEXIBHS-NKWVEPMBSA-N 0 1 284.372 3.564 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nc(-c2ccccc2C)no1 ZINC000061745674 1120229711 /nfs/dbraw/zinc/22/97/11/1120229711.db2.gz LXCYFVRGLMCDQI-CQSZACIVSA-N 0 1 285.391 3.810 20 0 CHADMN CN(Cc1cccc(F)c1)Cc1ccc(F)c(F)c1 ZINC000061780713 1120230282 /nfs/dbraw/zinc/23/02/82/1120230282.db2.gz FUBZTUMXOZLFAH-UHFFFAOYSA-N 0 1 265.278 3.736 20 0 CHADMN CCCSC[C@H](C)NCc1ccn(C2CCCC2)n1 ZINC000893142913 1120236715 /nfs/dbraw/zinc/23/67/15/1120236715.db2.gz HGHLYRPSJWGKHB-ZDUSSCGKSA-N 0 1 281.469 3.620 20 0 CHADMN CC1(C)[C@@H]2C[N@H+](Cc3sccc3Br)C[C@@H]21 ZINC000306999400 1120238570 /nfs/dbraw/zinc/23/85/70/1120238570.db2.gz BEYZRXVTVPDMAA-DTORHVGOSA-N 0 1 286.238 3.598 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3sccc3Br)C[C@@H]21 ZINC000306999400 1120238575 /nfs/dbraw/zinc/23/85/75/1120238575.db2.gz BEYZRXVTVPDMAA-DTORHVGOSA-N 0 1 286.238 3.598 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCC(C)(C)C ZINC000728727701 1120239578 /nfs/dbraw/zinc/23/95/78/1120239578.db2.gz PIEZHNSSRXKEOC-UHFFFAOYSA-N 0 1 286.375 3.978 20 0 CHADMN O=C(c1ccc(F)cc1O)N1CC[C@@H](C2CCCCC2)C1 ZINC000618185649 1128901296 /nfs/dbraw/zinc/90/12/96/1128901296.db2.gz VTGHNUNIRADWMY-CYBMUJFWSA-N 0 1 291.366 3.574 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2cc3c(s2)CC[C@H](C)C3)n1 ZINC000843148089 1120243564 /nfs/dbraw/zinc/24/35/64/1120243564.db2.gz MJGSDKHITNNOEX-ZANVPECISA-N 0 1 291.420 3.579 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H]2Cc3cccc(Cl)c3C2)cs1 ZINC001168683788 1120243637 /nfs/dbraw/zinc/24/36/37/1120243637.db2.gz AAQMYFBQGYSQTM-BXKDBHETSA-N 0 1 292.835 3.923 20 0 CHADMN CC(C)[C@H](N)c1noc(C(C)(C)c2ccc(Cl)cc2)n1 ZINC000843148904 1120246112 /nfs/dbraw/zinc/24/61/12/1120246112.db2.gz YXJPVKHZRVYNBP-LBPRGKRZSA-N 0 1 293.798 3.705 20 0 CHADMN C[C@@H]1CN(Cc2cnc(-c3ccccc3)o2)CCC1(F)F ZINC000930512327 1120247421 /nfs/dbraw/zinc/24/74/21/1120247421.db2.gz DHFDILARHRVRMC-GFCCVEGCSA-N 0 1 292.329 3.819 20 0 CHADMN O=C(NCC1CCCCC1)Nc1cccc(Cl)c1O ZINC000169272558 1120247484 /nfs/dbraw/zinc/24/74/84/1120247484.db2.gz HHUTXRJYMFYGRK-UHFFFAOYSA-N 0 1 282.771 3.747 20 0 CHADMN C[C@H](Nc1cnc2cccc(Br)n12)C(C)(C)C ZINC001168686698 1120249084 /nfs/dbraw/zinc/24/90/84/1120249084.db2.gz UWYYOHPJLSEGJE-VIFPVBQESA-N 0 1 296.212 3.943 20 0 CHADMN CC[C@H](C)Oc1ccc(-c2nc([C@H](N)C(C)C)no2)cc1 ZINC000843149300 1120254109 /nfs/dbraw/zinc/25/41/09/1120254109.db2.gz MICWNTBYOJBTLZ-SMDDNHRTSA-N 0 1 289.379 3.570 20 0 CHADMN CCCc1cc(C(=O)N(Cc2ccccc2)[C@H](C)CC)n[nH]1 ZINC000111195449 1120255024 /nfs/dbraw/zinc/25/50/24/1120255024.db2.gz STFPMQZSKMZUPV-CQSZACIVSA-N 0 1 299.418 3.803 20 0 CHADMN CCc1nnc(CN2CC[C@@H](C3CCCCC3)C2)s1 ZINC000661577834 1120256221 /nfs/dbraw/zinc/25/62/21/1120256221.db2.gz GMQKTMCHAVLDIQ-CYBMUJFWSA-N 0 1 279.453 3.503 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCC[C@H]3CCC[C@@H]32)n1 ZINC000075769173 1120266485 /nfs/dbraw/zinc/26/64/85/1120266485.db2.gz KFRYXJBQEWEALG-ZBFHGGJFSA-N 0 1 297.402 3.810 20 0 CHADMN CCN(Cc1cccc(Cl)c1Cl)C[C@H]1CCCO1 ZINC000511538442 1120267646 /nfs/dbraw/zinc/26/76/46/1120267646.db2.gz CEAONQCHDKFWLV-GFCCVEGCSA-N 0 1 288.218 3.994 20 0 CHADMN CC[C@H](C)C[C@@H](C)Nc1c[nH]c2ncc(C(=O)OC)c-2c1 ZINC001168693396 1120270990 /nfs/dbraw/zinc/27/09/90/1120270990.db2.gz LXCRDFSHACWZJL-WDEREUQCSA-N 0 1 289.379 3.586 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2sc(C)nc2C)cc1 ZINC000172744921 1120274686 /nfs/dbraw/zinc/27/46/86/1120274686.db2.gz FXXQFQIUDUUYMY-GFCCVEGCSA-N 0 1 290.432 3.962 20 0 CHADMN CC(C)C[C@@H](C)[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000678349933 1120275812 /nfs/dbraw/zinc/27/58/12/1120275812.db2.gz QCRZTBVLLGOAAM-CQSZACIVSA-N 0 1 289.419 3.722 20 0 CHADMN CCCc1noc(CN2C[C@@H](c3ccccc3C)C[C@@H]2C)n1 ZINC000076386165 1120282682 /nfs/dbraw/zinc/28/26/82/1120282682.db2.gz PBVFXUJSTJFHNC-GJZGRUSLSA-N 0 1 299.418 3.709 20 0 CHADMN FC(F)(F)C1(CNCc2cnc(C3CC3)o2)CCCC1 ZINC000628477387 1120282936 /nfs/dbraw/zinc/28/29/36/1120282936.db2.gz VDYUBQFZRYMBBY-UHFFFAOYSA-N 0 1 288.313 3.764 20 0 CHADMN CC(C)CCc1noc(CN(C2CC2)C2CCCCC2)n1 ZINC000064508448 1120291279 /nfs/dbraw/zinc/29/12/79/1120291279.db2.gz WMTMGHUVBFSMMT-UHFFFAOYSA-N 0 1 291.439 3.955 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cc(C)nc(C)n1 ZINC000659928472 1120292334 /nfs/dbraw/zinc/29/23/34/1120292334.db2.gz XBSIZRWYEXWSOQ-SFHVURJKSA-N 0 1 281.403 3.603 20 0 CHADMN Cc1nc(CN2C[C@H](c3ccc(F)cc3)C[C@@H]2C)co1 ZINC000659939764 1120296907 /nfs/dbraw/zinc/29/69/07/1120296907.db2.gz JGBJZJXYPUHOBG-SMDDNHRTSA-N 0 1 274.339 3.500 20 0 CHADMN FC(F)(F)COCCN1CCCCC[C@@H]1c1ccco1 ZINC000076803950 1120297014 /nfs/dbraw/zinc/29/70/14/1120297014.db2.gz BZZOYHXYVBETSF-GFCCVEGCSA-N 0 1 291.313 3.776 20 0 CHADMN CC(C)(C)c1coc(CN[C@H]2CCO[C@H](C(C)(C)C)C2)n1 ZINC000921944989 1120297960 /nfs/dbraw/zinc/29/79/60/1120297960.db2.gz LUNFHHZWBSGAFD-JSGCOSHPSA-N 0 1 294.439 3.655 20 0 CHADMN C[C@H](N[C@H]1CSC1(C)C)c1nc2c(s1)CCCC2 ZINC000338778070 1120299873 /nfs/dbraw/zinc/29/98/73/1120299873.db2.gz OSWUCYIMCFTPJK-CABZTGNLSA-N 0 1 282.478 3.567 20 0 CHADMN CO[C@H](C)c1cccc(NC(=O)c2cccc3cn[nH]c32)c1 ZINC000339149271 1120302779 /nfs/dbraw/zinc/30/27/79/1120302779.db2.gz NUSIZNXTHXLMRB-LLVKDONJSA-N 0 1 295.342 3.523 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000651357539 1120304240 /nfs/dbraw/zinc/30/42/40/1120304240.db2.gz NNMVLWMPRJKILP-ABKXIKBNSA-N 0 1 291.345 3.725 20 0 CHADMN CCCN[C@@H](C)c1nc(Cc2c(C)cc(C)cc2C)no1 ZINC000843178205 1120310264 /nfs/dbraw/zinc/31/02/64/1120310264.db2.gz WGSWKEQTDSRGGB-AWEZNQCLSA-N 0 1 287.407 3.646 20 0 CHADMN COc1cc2c(cc1CNCc1ccccc1C)O[C@H](C)C2 ZINC000072670704 1120310476 /nfs/dbraw/zinc/31/04/76/1120310476.db2.gz FNECKQIGBHXULM-CQSZACIVSA-N 0 1 297.398 3.617 20 0 CHADMN CC(C)CCN(C)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000077211706 1120319868 /nfs/dbraw/zinc/31/98/68/1120319868.db2.gz PDHRPODQOHJNDV-LBPRGKRZSA-N 0 1 282.815 3.645 20 0 CHADMN CS[C@@H]1CCCC[C@H]1NCc1ncc(Cl)s1 ZINC000225354429 1120320885 /nfs/dbraw/zinc/32/08/85/1120320885.db2.gz CKFHPKRDMCTYJR-RKDXNWHRSA-N 0 1 276.858 3.560 20 0 CHADMN CCCN[C@@H](C)c1nc(CCC2CCCCC2)no1 ZINC000843183571 1120321412 /nfs/dbraw/zinc/32/14/12/1120321412.db2.gz NYJQTKJIOBGNPV-LBPRGKRZSA-N 0 1 265.401 3.643 20 0 CHADMN Fc1ccc2c(c1)C[N@H+](CCCCC1CCOCC1)CC2 ZINC000499559724 1120322333 /nfs/dbraw/zinc/32/23/33/1120322333.db2.gz CXBQVISQXYDISL-UHFFFAOYSA-N 0 1 291.410 3.781 20 0 CHADMN COc1nc(C)cc(C)c1CN(C)[C@H]1CCc2ccccc21 ZINC000672535852 1120323255 /nfs/dbraw/zinc/32/32/55/1120323255.db2.gz OFJUTYKDTYLYKQ-SFHVURJKSA-N 0 1 296.414 3.826 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000629364825 1128908126 /nfs/dbraw/zinc/90/81/26/1128908126.db2.gz QJNOVRNRRQILLL-GDBMZVCRSA-N 0 1 269.429 3.636 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc([C@@H](C)c2cccs2)no1 ZINC000843188306 1120330374 /nfs/dbraw/zinc/33/03/74/1120330374.db2.gz APNSOWMUFAUPRC-QWRGUYRKSA-N 0 1 293.436 3.980 20 0 CHADMN C/C=C/C[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])oc2CC)C1 ZINC000629375706 1128908957 /nfs/dbraw/zinc/90/89/57/1128908957.db2.gz MRECHMMOCOOWAI-LQPUYASZSA-N 0 1 291.391 3.718 20 0 CHADMN CC(C)c1cnc(CN2CC[C@H](C3CCOCC3)C2)s1 ZINC000363852557 1120337296 /nfs/dbraw/zinc/33/72/96/1120337296.db2.gz CEKNIGXRVWMSFG-AWEZNQCLSA-N 0 1 294.464 3.515 20 0 CHADMN c1cc(CN(Cc2ccccc2)C2CCCCC2)n[nH]1 ZINC000092266066 1128909268 /nfs/dbraw/zinc/90/92/68/1128909268.db2.gz SUYYORZQKGUDKN-UHFFFAOYSA-N 0 1 269.392 3.745 20 0 CHADMN CCCCc1noc([C@H](C)N2CCC[C@H](CC)C2)n1 ZINC000042145736 1120339314 /nfs/dbraw/zinc/33/93/14/1120339314.db2.gz CNTHBEOCTCUQRZ-STQMWFEESA-N 0 1 265.401 3.595 20 0 CHADMN CCn1ccnc1NCc1ccc(-c2scnc2C)cc1 ZINC000656777109 1120339533 /nfs/dbraw/zinc/33/95/33/1120339533.db2.gz WQWOTPFWQBFJFP-UHFFFAOYSA-N 0 1 298.415 3.947 20 0 CHADMN CN(Cc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCOC1 ZINC001143505153 1120345198 /nfs/dbraw/zinc/34/51/98/1120345198.db2.gz AFAFQBCOCVEANA-NSHDSACASA-N 0 1 293.716 3.580 20 0 CHADMN Cc1csc([C@H](C)NCCOc2ccccc2Cl)n1 ZINC000184270968 1120354328 /nfs/dbraw/zinc/35/43/28/1120354328.db2.gz NAJSBMHCKLNMFB-NSHDSACASA-N 0 1 296.823 3.835 20 0 CHADMN CC[C@H](NCc1ccc(CO)o1)c1cccc(Cl)c1 ZINC000077897804 1120354887 /nfs/dbraw/zinc/35/48/87/1120354887.db2.gz RBUNCJYHYZHATM-HNNXBMFYSA-N 0 1 279.767 3.666 20 0 CHADMN C[C@H](C[C@@H]1CCOC1)N[C@@H](CCc1ccccc1)C(F)F ZINC000779406347 1128912094 /nfs/dbraw/zinc/91/20/94/1128912094.db2.gz IWNMDFONTYXMLP-KBMXLJTQSA-N 0 1 297.389 3.658 20 0 CHADMN Nc1ccc2c(c1)CC[C@@H]2NCc1ccsc1Cl ZINC000312747613 1120374107 /nfs/dbraw/zinc/37/41/07/1120374107.db2.gz BKKMNGSKLFYGMQ-ZDUSSCGKSA-N 0 1 278.808 3.761 20 0 CHADMN Cc1cc2cc(CNCc3cccc4c3OCC4)ccc2[nH]1 ZINC000922128808 1120377956 /nfs/dbraw/zinc/37/79/56/1120377956.db2.gz ZCYLVUWFKSZLAO-UHFFFAOYSA-N 0 1 292.382 3.701 20 0 CHADMN CC/C(C)=C(/C)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000780915812 1120383634 /nfs/dbraw/zinc/38/36/34/1120383634.db2.gz XVESPTHWNULTMM-SEWDUPMJSA-N 0 1 292.423 3.525 20 0 CHADMN C1=CC[C@@]2(CC1)CCCN(Cc1noc3c1CCCC3)C2 ZINC000114495213 1120384904 /nfs/dbraw/zinc/38/49/04/1120384904.db2.gz IFVXUMCIOPJAED-GOSISDBHSA-N 0 1 286.419 3.876 20 0 CHADMN CC(C)n1ccc(CN2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000172854114 1120393749 /nfs/dbraw/zinc/39/37/49/1120393749.db2.gz ZJPBCBCRKZELTN-KRWDZBQOSA-N 0 1 283.419 3.529 20 0 CHADMN CN(Cc1ccc(Br)o1)[C@@H]1C=CCCC1 ZINC000066494192 1120395533 /nfs/dbraw/zinc/39/55/33/1120395533.db2.gz HATQBSAORUSFQC-SNVBAGLBSA-N 0 1 270.170 3.583 20 0 CHADMN C[C@@H]1C[C@H](C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)CCO1 ZINC000511599096 1120397654 /nfs/dbraw/zinc/39/76/54/1120397654.db2.gz YJPCEAHXJDDHIH-IOASZLSFSA-N 0 1 279.811 3.902 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1cnc2ccccc2n1 ZINC000660147123 1120399475 /nfs/dbraw/zinc/39/94/75/1120399475.db2.gz QLLKDOKAWONSME-GOSISDBHSA-N 0 1 292.386 3.608 20 0 CHADMN Cc1sccc1CN[C@H](C)c1nc2ccccc2n1C ZINC000641725298 1120401371 /nfs/dbraw/zinc/40/13/71/1120401371.db2.gz KGDCOZVAXDTOFC-LLVKDONJSA-N 0 1 285.416 3.794 20 0 CHADMN Cc1ccc(CN(C)[C@@H](C)c2cnc(C)nc2C)cc1 ZINC000681640662 1120402915 /nfs/dbraw/zinc/40/29/15/1120402915.db2.gz BUTHKRSRUVQIBJ-AWEZNQCLSA-N 0 1 269.392 3.595 20 0 CHADMN Cc1cccc(CN(C)[C@@H](C)c2cnc(C)nc2C)c1 ZINC000681661710 1120403985 /nfs/dbraw/zinc/40/39/85/1120403985.db2.gz QYSVSXMJCDFNML-AWEZNQCLSA-N 0 1 269.392 3.595 20 0 CHADMN CCN(C(=O)c1cccc2c[nH]nc21)[C@@H]1CCCC[C@@H]1C ZINC000066674895 1120405381 /nfs/dbraw/zinc/40/53/81/1120405381.db2.gz DAKFFXABABLLKD-SWLSCSKDSA-N 0 1 285.391 3.604 20 0 CHADMN C[C@H](NCc1cnc2n1CCCC2)c1csc(Cl)c1 ZINC000367438837 1120417972 /nfs/dbraw/zinc/41/79/72/1120417972.db2.gz POPRFTGIDQQQJT-JTQLQIEISA-N 0 1 295.839 3.785 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@@H](C)c1cncs1 ZINC000274452174 1120420155 /nfs/dbraw/zinc/42/01/55/1120420155.db2.gz YYWZEJQIJDKRRL-PWSUYJOCSA-N 0 1 292.452 3.815 20 0 CHADMN CCc1nocc1CN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000660181767 1120420664 /nfs/dbraw/zinc/42/06/64/1120420664.db2.gz HHZPWPLYVJBJKB-ZDUSSCGKSA-N 0 1 288.391 3.875 20 0 CHADMN CCC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000584726403 1120422500 /nfs/dbraw/zinc/42/25/00/1120422500.db2.gz XPZGKTLZAVONKH-SWLSCSKDSA-N 0 1 295.810 3.978 20 0 CHADMN Cc1ncc(CN2Cc3cccc(C)c3CC2(C)C)o1 ZINC000628297825 1120428112 /nfs/dbraw/zinc/42/81/12/1120428112.db2.gz NDTZTVKTQGEKKF-UHFFFAOYSA-N 0 1 270.376 3.628 20 0 CHADMN C[C@H](c1ncccn1)[N@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000930819330 1120431938 /nfs/dbraw/zinc/43/19/38/1120431938.db2.gz DPWGOERHMYYBKD-ILXRZTDVSA-N 0 1 273.424 3.686 20 0 CHADMN Fc1cccnc1CNC1CC(Sc2ccccc2)C1 ZINC000925596403 1120433307 /nfs/dbraw/zinc/43/33/07/1120433307.db2.gz DUIHVEYLMGIEQN-UHFFFAOYSA-N 0 1 288.391 3.634 20 0 CHADMN Oc1cccc2c1CCC[C@@H]2N[C@@H]1COCc2ccccc21 ZINC000417356282 1120434586 /nfs/dbraw/zinc/43/45/86/1120434586.db2.gz FGJGVNDQFTYPHE-ZWKOTPCHSA-N 0 1 295.382 3.631 20 0 CHADMN CCCn1ccc(CN(Cc2ccccn2)C(C)C)c1 ZINC000584755559 1120435855 /nfs/dbraw/zinc/43/58/55/1120435855.db2.gz MBVQEEVOMDTJMR-UHFFFAOYSA-N 0 1 271.408 3.704 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@@H]1COCc2ccccc21 ZINC000417360376 1120436320 /nfs/dbraw/zinc/43/63/20/1120436320.db2.gz JSNKNGZNIMAHMF-BXUZGUMPSA-N 0 1 289.400 3.679 20 0 CHADMN Cc1c[nH]c(CN[C@H](c2ccccc2C)C(C)(C)C)n1 ZINC000657389636 1120445283 /nfs/dbraw/zinc/44/52/83/1120445283.db2.gz ZNXOGBWMFUOYSB-MRXNPFEDSA-N 0 1 271.408 3.904 20 0 CHADMN Cc1ccc([C@@H](C)CN2CC(C)(C)[C@@H]2c2nccn2C)cc1 ZINC000628298208 1120449121 /nfs/dbraw/zinc/44/91/21/1120449121.db2.gz XQCIOWQOTSHQQK-RDJZCZTQSA-N 0 1 297.446 3.915 20 0 CHADMN Cc1ccc([C@@H](C)CN2CC(C)(C)[C@H]2c2nccn2C)cc1 ZINC000628298206 1120449139 /nfs/dbraw/zinc/44/91/39/1120449139.db2.gz XQCIOWQOTSHQQK-DOTOQJQBSA-N 0 1 297.446 3.915 20 0 CHADMN CC(C)(C)c1ccncc1CNCc1ccnn1C1CCC1 ZINC000922182074 1120449386 /nfs/dbraw/zinc/44/93/86/1120449386.db2.gz FHFLLQPVXYDJBW-UHFFFAOYSA-N 0 1 298.434 3.590 20 0 CHADMN CC[C@@H](CSc1ccccc1)N[C@@H](C)c1nonc1C ZINC000925608884 1120454022 /nfs/dbraw/zinc/45/40/22/1120454022.db2.gz LJGGFPSPUVCWOH-AAEUAGOBSA-N 0 1 291.420 3.600 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1cccc(OC2CC2)c1F ZINC000657435726 1120455924 /nfs/dbraw/zinc/45/59/24/1120455924.db2.gz IRFMAMLINHVREH-SECBINFHSA-N 0 1 291.288 3.797 20 0 CHADMN Cc1cc(CN2CCC[C@H]2/C=C/c2ccccc2)nc(C)n1 ZINC000660235889 1120457368 /nfs/dbraw/zinc/45/73/68/1120457368.db2.gz SHYFCHMLSWSYRZ-VYENPZKTSA-N 0 1 293.414 3.771 20 0 CHADMN Cc1oc2ccccc2c1CNCc1ccnn1CC1CC1 ZINC000657438874 1120458416 /nfs/dbraw/zinc/45/84/16/1120458416.db2.gz WZDGGKJWBSPKRG-UHFFFAOYSA-N 0 1 295.386 3.638 20 0 CHADMN CSc1cccc(CN[C@H](C)c2ccccn2)c1 ZINC000660245488 1120463658 /nfs/dbraw/zinc/46/36/58/1120463658.db2.gz ZMSUXYKRWAKVPF-GFCCVEGCSA-N 0 1 258.390 3.654 20 0 CHADMN CSc1cc(CN[C@@H]2CCc3ccc(F)cc32)ccn1 ZINC000357855228 1120465348 /nfs/dbraw/zinc/46/53/48/1120465348.db2.gz SJAMLSVKPWCCRX-OAHLLOKOSA-N 0 1 288.391 3.720 20 0 CHADMN CC(C)c1cc(C(=O)N2CCC[C@H]2C2CCCCC2)n[nH]1 ZINC000080375866 1120467554 /nfs/dbraw/zinc/46/75/54/1120467554.db2.gz VXQXUMMWIHOOLK-INIZCTEOSA-N 0 1 289.423 3.718 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccc(F)nc1)CCS2 ZINC000188974057 1120470051 /nfs/dbraw/zinc/47/00/51/1120470051.db2.gz PMGYIISCCACYRR-CYBMUJFWSA-N 0 1 292.354 3.687 20 0 CHADMN CC1CC(CN[C@@H](Cc2ccccc2)c2ncco2)C1 ZINC000930895836 1120472364 /nfs/dbraw/zinc/47/23/64/1120472364.db2.gz YTKZRJMWYBPERH-BCLQGDPASA-N 0 1 270.376 3.594 20 0 CHADMN Cc1nc(C)c(CNc2ccnc(C)c2Cl)s1 ZINC000310582648 1120472887 /nfs/dbraw/zinc/47/28/87/1120472887.db2.gz RUDFPSBFOHAVJI-UHFFFAOYSA-N 0 1 267.785 3.729 20 0 CHADMN CCc1nc([C@H](C)NC[C@H](OC)C2CCCC2)cs1 ZINC000660267823 1120474542 /nfs/dbraw/zinc/47/45/42/1120474542.db2.gz WTBVZOMQNGSLCL-FZMZJTMJSA-N 0 1 282.453 3.561 20 0 CHADMN CO[C@H](CN[C@@H](C)c1ncc(C)s1)C1CCCCC1 ZINC000660269478 1120476516 /nfs/dbraw/zinc/47/65/16/1120476516.db2.gz NVOZBNFDMHCBQR-GXTWGEPZSA-N 0 1 282.453 3.697 20 0 CHADMN Cc1ccnc(NCc2cccc3[nH]c(=O)oc32)c1C1CC1 ZINC000922245554 1120483744 /nfs/dbraw/zinc/48/37/44/1120483744.db2.gz PTILRGVQQLKQPY-UHFFFAOYSA-N 0 1 295.342 3.726 20 0 CHADMN CCc1nocc1CN1Cc2ccccc2C[C@@H]1CC ZINC000660290400 1120485440 /nfs/dbraw/zinc/48/54/40/1120485440.db2.gz NKHQMKKBMHMVQG-INIZCTEOSA-N 0 1 270.376 3.574 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2cccc(SCC)c2)no1 ZINC000843235358 1120489467 /nfs/dbraw/zinc/48/94/67/1120489467.db2.gz BGLKGBAARBDOOW-NSHDSACASA-N 0 1 291.420 3.909 20 0 CHADMN c1ccc2c(c1)snc2CN1CCCC2(CC2)C1 ZINC000660306775 1120490467 /nfs/dbraw/zinc/49/04/67/1120490467.db2.gz SNBKLGODCKRAHO-UHFFFAOYSA-N 0 1 258.390 3.672 20 0 CHADMN CCC[C@H](CC1CCCCC1)C(=O)NCc1cn[nH]c1C ZINC000500024875 1120493089 /nfs/dbraw/zinc/49/30/89/1120493089.db2.gz VQMBWELKEOBYNQ-OAHLLOKOSA-N 0 1 291.439 3.721 20 0 CHADMN Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)c1ccn[nH]1 ZINC000673460755 1120498748 /nfs/dbraw/zinc/49/87/48/1120498748.db2.gz TZKQLSGGVOZJFY-AWEZNQCLSA-N 0 1 285.391 3.578 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1coc2ccccc12 ZINC000925634869 1120499652 /nfs/dbraw/zinc/49/96/52/1120499652.db2.gz MCQCXVCLCASJPV-WDEREUQCSA-N 0 1 255.321 3.568 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2cccc(Cl)c2)c(C)nn1 ZINC000929291233 1120503220 /nfs/dbraw/zinc/50/32/20/1120503220.db2.gz MZLBDRDLYQCJPQ-ZDUSSCGKSA-N 0 1 289.810 3.940 20 0 CHADMN Cc1cc(C[N@H+](C)[C@H](c2ccc(F)cc2)C(C)C)n(C)n1 ZINC000418038519 1120508852 /nfs/dbraw/zinc/50/88/52/1120508852.db2.gz YRODTOSLNNGVNU-KRWDZBQOSA-N 0 1 289.398 3.697 20 0 CHADMN Cc1cc(CN(C)[C@H](c2ccc(F)cc2)C(C)C)n(C)n1 ZINC000418038519 1120508856 /nfs/dbraw/zinc/50/88/56/1120508856.db2.gz YRODTOSLNNGVNU-KRWDZBQOSA-N 0 1 289.398 3.697 20 0 CHADMN COc1cc(CN2CCC[C@@H](C)C2)cc(C(F)(F)F)c1 ZINC001143509049 1120510836 /nfs/dbraw/zinc/51/08/36/1120510836.db2.gz YYBBFZQBNFOMPC-LLVKDONJSA-N 0 1 287.325 3.946 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2CCCCC(=O)[O-])cc1C ZINC000364235086 1120514701 /nfs/dbraw/zinc/51/47/01/1120514701.db2.gz HTRLXPOXGBIJHU-MRXNPFEDSA-N 0 1 275.392 3.695 20 0 CHADMN CCCCCOc1ccc(CNCc2ccccn2)cc1 ZINC000020091622 1120515432 /nfs/dbraw/zinc/51/54/32/1120515432.db2.gz ZCZSBURTGMVPSP-UHFFFAOYSA-N 0 1 284.403 3.940 20 0 CHADMN C[C@@H](CN(C)Cc1cc[nH]n1)c1ccc(C(F)(F)F)cc1 ZINC000500130561 1120516777 /nfs/dbraw/zinc/51/67/77/1120516777.db2.gz TYQLRNACNLRDIX-NSHDSACASA-N 0 1 297.324 3.664 20 0 CHADMN C[C@@H]1CC[C@H]1N[C@H](c1nccs1)c1ccccc1 ZINC000783229289 1120527901 /nfs/dbraw/zinc/52/79/01/1120527901.db2.gz DOGZOKOEWUWECL-BNOWGMLFSA-N 0 1 258.390 3.621 20 0 CHADMN C[C@H]1CCN[C@H](c2nc(-c3ccc4ccccc4c3)no2)C1 ZINC000319351979 1120535982 /nfs/dbraw/zinc/53/59/82/1120535982.db2.gz VSJHBQYGUXGYSE-LRDDRELGSA-N 0 1 293.370 3.950 20 0 CHADMN FC(F)(F)c1cnc(CNCC[C@@H]2C[C@H]2C2CC2)s1 ZINC000922426676 1120537314 /nfs/dbraw/zinc/53/73/14/1120537314.db2.gz QKJDUECRKQQNDV-ZJUUUORDSA-N 0 1 290.354 3.688 20 0 CHADMN c1cc2cc(CNCc3nccc4c3CCCC4)ccc2[nH]1 ZINC000922463710 1120541295 /nfs/dbraw/zinc/54/12/95/1120541295.db2.gz NFOGCVLBAIUWCO-UHFFFAOYSA-N 0 1 291.398 3.732 20 0 CHADMN c1cc2ccc(CNCc3nccc4c3CCCC4)cc2[nH]1 ZINC000922462626 1120541374 /nfs/dbraw/zinc/54/13/74/1120541374.db2.gz IXHRIAWBVPKVOH-UHFFFAOYSA-N 0 1 291.398 3.732 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(CCC(C)C)C2CC2)c1 ZINC000338857740 1120543000 /nfs/dbraw/zinc/54/30/00/1120543000.db2.gz WKFAWAXFPIUBFX-UHFFFAOYSA-N 0 1 285.391 3.522 20 0 CHADMN COc1cc(CNCc2ccccc2Cl)cc(OC)c1 ZINC000019908407 1120544782 /nfs/dbraw/zinc/54/47/82/1120544782.db2.gz SQSULORDPWVEAX-UHFFFAOYSA-N 0 1 291.778 3.647 20 0 CHADMN CCCSC[C@@H](C)N[C@H](c1nc(C2CC2)no1)C(C)C ZINC000893346992 1120547988 /nfs/dbraw/zinc/54/79/88/1120547988.db2.gz XRJMHCDGSNJNSK-YPMHNXCESA-N 0 1 297.468 3.765 20 0 CHADMN Clc1ccc(CN[C@H](c2ccccn2)C2CC2)cc1 ZINC000922585939 1120558544 /nfs/dbraw/zinc/55/85/44/1120558544.db2.gz QSTXUBCKFFURGX-INIZCTEOSA-N 0 1 272.779 3.976 20 0 CHADMN FC1(F)CC[C@H](N[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000314429182 1120561040 /nfs/dbraw/zinc/56/10/40/1120561040.db2.gz BOMZNVBHMXWIRL-HOCLYGCPSA-N 0 1 288.341 3.948 20 0 CHADMN CCOc1ccccc1[C@@H](CC)N[C@@H]1CCCn2nccc21 ZINC000657865595 1120563328 /nfs/dbraw/zinc/56/33/28/1120563328.db2.gz UVTQOHOETDJUKK-HZPDHXFCSA-N 0 1 299.418 3.858 20 0 CHADMN CC[C@@H](NCc1cccnc1C)c1cc(F)ccc1OC ZINC000922622927 1120565283 /nfs/dbraw/zinc/56/52/83/1120565283.db2.gz SKBMLQATIUDIPD-MRXNPFEDSA-N 0 1 288.366 3.779 20 0 CHADMN Cc1nc2cc(CNc3cnc(N(C)C)cc3C)ccc2o1 ZINC001167757485 1120565413 /nfs/dbraw/zinc/56/54/13/1120565413.db2.gz SLXCEMGFXFUNCA-UHFFFAOYSA-N 0 1 296.374 3.518 20 0 CHADMN CCC(CC)[C@H](NCc1cn(C)cn1)c1cccs1 ZINC000673600830 1120567937 /nfs/dbraw/zinc/56/79/37/1120567937.db2.gz ZWKPCCJUURQXBZ-HNNXBMFYSA-N 0 1 277.437 3.749 20 0 CHADMN Cn1cnc(CN[C@@H](Cc2ccccc2)c2cccs2)c1 ZINC000673602265 1120569274 /nfs/dbraw/zinc/56/92/74/1120569274.db2.gz XFSOSLUCKNVWLT-INIZCTEOSA-N 0 1 297.427 3.555 20 0 CHADMN Cc1ccccc1[C@@H](CC(C)C)NCc1cn(C)cn1 ZINC000673601886 1120569309 /nfs/dbraw/zinc/56/93/09/1120569309.db2.gz CDCHKDGVOFQJLX-QGZVFWFLSA-N 0 1 271.408 3.606 20 0 CHADMN COc1cc(F)cc(CN[C@@H](C)c2cc(O)cc(F)c2)c1 ZINC000925680177 1120570621 /nfs/dbraw/zinc/57/06/21/1120570621.db2.gz MSAYHBMJLCVCLD-JTQLQIEISA-N 0 1 293.313 3.530 20 0 CHADMN CC(C)(/C=C\Cl)NCc1scnc1C1CC1 ZINC000922647401 1120570686 /nfs/dbraw/zinc/57/06/86/1120570686.db2.gz BGNKRWQZFCZGHI-WAYWQWQTSA-N 0 1 256.802 3.641 20 0 CHADMN Cc1nnc([C@@H](C)[N@H+]2CCC(C)(C)CC(C)(C)C2)o1 ZINC000661628248 1120574310 /nfs/dbraw/zinc/57/43/10/1120574310.db2.gz UOUKFZGIFACKEP-LLVKDONJSA-N 0 1 265.401 3.587 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1ccnn1CC1CC1 ZINC000922667989 1120575655 /nfs/dbraw/zinc/57/56/55/1120575655.db2.gz XADYPBAYZQSQEB-CYBMUJFWSA-N 0 1 287.382 3.591 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1ccc(F)nc1 ZINC000922670484 1120576767 /nfs/dbraw/zinc/57/67/67/1120576767.db2.gz TWDIXZMGZBFCNQ-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN CCCn1nccc1CN[C@@H](C)c1ccc(F)cc1C ZINC000922670309 1120577137 /nfs/dbraw/zinc/57/71/37/1120577137.db2.gz SKRDYCWQJAXUGZ-ZDUSSCGKSA-N 0 1 275.371 3.591 20 0 CHADMN COc1ccc([C@H](C)NCc2cnn(C(C)C)c2)cc1C ZINC000922672484 1120577795 /nfs/dbraw/zinc/57/77/95/1120577795.db2.gz UUVPYLGSDALFTP-AWEZNQCLSA-N 0 1 287.407 3.632 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@@H](C)c1cccc(O)c1 ZINC000020096892 1120584092 /nfs/dbraw/zinc/58/40/92/1120584092.db2.gz YIMFJLWIEBSCKC-QWHCGFSZSA-N 0 1 271.360 3.813 20 0 CHADMN Cc1c2ccccc2oc1[C@H](NCC1=NOCC1)C(C)C ZINC001168732782 1120584312 /nfs/dbraw/zinc/58/43/12/1120584312.db2.gz AJYRGBCISCHLRV-MRXNPFEDSA-N 0 1 286.375 3.804 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccccc2OC)c1 ZINC000020096583 1120584294 /nfs/dbraw/zinc/58/42/94/1120584294.db2.gz JIWHCEYRMIRCCJ-CYBMUJFWSA-N 0 1 271.360 3.555 20 0 CHADMN CSc1ccc(CNCc2ccc3c(c2)C[C@H](C)O3)o1 ZINC000922702370 1120585204 /nfs/dbraw/zinc/58/52/04/1120585204.db2.gz ZSQXCBDDBQAHIJ-NSHDSACASA-N 0 1 289.400 3.615 20 0 CHADMN CC[C@@H]1CCC[C@H]1N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000660409854 1120586221 /nfs/dbraw/zinc/58/62/21/1120586221.db2.gz IJRGDERTYGWBFP-GZBFAFLISA-N 0 1 285.391 3.966 20 0 CHADMN CC(C)(F)CCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000618410542 1120592296 /nfs/dbraw/zinc/59/22/96/1120592296.db2.gz VBWQEYRMBNWHQE-UHFFFAOYSA-N 0 1 294.153 3.567 20 0 CHADMN CC(C)CC1(C)CCN(Cc2n[nH]c(C(C)C)n2)CC1 ZINC000428974790 1120594932 /nfs/dbraw/zinc/59/49/32/1120594932.db2.gz GLPOVBKXALTTSC-UHFFFAOYSA-N 0 1 278.444 3.576 20 0 CHADMN c1n[nH]c2c1[C@@H](Nc1ccc(C3CC3)cc1)CCC2 ZINC000690131996 1120598985 /nfs/dbraw/zinc/59/89/85/1120598985.db2.gz ZBXDUDKDIGMFHN-HNNXBMFYSA-N 0 1 253.349 3.777 20 0 CHADMN Cc1cccc2c1CN(Cc1cccc3nsnc31)CC2 ZINC000759877888 1120600308 /nfs/dbraw/zinc/60/03/08/1120600308.db2.gz DPWIZGOGXORLCK-UHFFFAOYSA-N 0 1 295.411 3.558 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)oc1C ZINC000282385789 1120604108 /nfs/dbraw/zinc/60/41/08/1120604108.db2.gz XEOFPTOACIZRMX-GHMZBOCLSA-N 0 1 276.384 3.550 20 0 CHADMN COc1ccc(-c2ccccc2)cc1CN[C@H](C)CF ZINC000673619463 1120604866 /nfs/dbraw/zinc/60/48/66/1120604866.db2.gz FIAQNTLKTJNTNV-CYBMUJFWSA-N 0 1 273.351 3.810 20 0 CHADMN C[C@H]1C[C@@H](NCc2ncc(C(F)(F)F)s2)CCS1 ZINC000922835990 1120606767 /nfs/dbraw/zinc/60/67/67/1120606767.db2.gz HEGIIFZMQXIVRN-YUMQZZPRSA-N 0 1 296.383 3.536 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1cccc(O)c1 ZINC000194877460 1120609286 /nfs/dbraw/zinc/60/92/86/1120609286.db2.gz OMCCBFQXDBDFPH-LBPRGKRZSA-N 0 1 273.401 3.965 20 0 CHADMN CC(=Cc1ccccc1)CN[C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000500402102 1120611715 /nfs/dbraw/zinc/61/17/15/1120611715.db2.gz YAVUZWNUAPFQAQ-ZVHGMHCTSA-N 0 1 284.407 3.682 20 0 CHADMN Cc1cccc2c1[C@H](NCc1ccc(Cl)cn1)CC2 ZINC000925695711 1120614263 /nfs/dbraw/zinc/61/42/63/1120614263.db2.gz WBKXTPQKZIDHEY-OAHLLOKOSA-N 0 1 272.779 3.821 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000509057209 1120620004 /nfs/dbraw/zinc/62/00/04/1120620004.db2.gz MUZCDRXDMBFQKY-GFCCVEGCSA-N 0 1 267.800 3.971 20 0 CHADMN CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000125813249 1120626497 /nfs/dbraw/zinc/62/64/97/1120626497.db2.gz AROCBDFPGAYIAV-AWEZNQCLSA-N 0 1 290.451 3.870 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](C)Cc1coc(-c2ccccc2F)n1 ZINC000625061216 1120626670 /nfs/dbraw/zinc/62/66/70/1120626670.db2.gz MJVFXSUTGIHINK-NSHDSACASA-N 0 1 274.339 3.711 20 0 CHADMN CC(C)CCC[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000429043336 1120626804 /nfs/dbraw/zinc/62/68/04/1120626804.db2.gz FHSYIYWYOYEDHJ-INIZCTEOSA-N 0 1 265.397 3.697 20 0 CHADMN CCCC[N@@H+](C)[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000125813445 1120626890 /nfs/dbraw/zinc/62/68/90/1120626890.db2.gz AROCBDFPGAYIAV-CQSZACIVSA-N 0 1 290.451 3.870 20 0 CHADMN C[C@@H](c1cccc(O)c1)N(C)Cc1cccc(F)c1 ZINC000109785209 1120629182 /nfs/dbraw/zinc/62/91/82/1120629182.db2.gz QUEQDNHZUCEGRN-LBPRGKRZSA-N 0 1 259.324 3.724 20 0 CHADMN COc1c(C)cnc(C[N@@H+](C)Cc2ccc(C)s2)c1C ZINC000110030998 1120631186 /nfs/dbraw/zinc/63/11/86/1120631186.db2.gz OIEQUKQWKCUTBS-UHFFFAOYSA-N 0 1 290.432 3.709 20 0 CHADMN CCO[C@H](C[N@@H+](C)[C@H](C)c1cc(F)ccc1F)C1CC1 ZINC000625087990 1120632066 /nfs/dbraw/zinc/63/20/66/1120632066.db2.gz HYYUHMPHTJMGNY-BDJLRTHQSA-N 0 1 283.362 3.773 20 0 CHADMN CCO[C@H](CN(C)[C@H](C)c1cc(F)ccc1F)C1CC1 ZINC000625087990 1120632069 /nfs/dbraw/zinc/63/20/69/1120632069.db2.gz HYYUHMPHTJMGNY-BDJLRTHQSA-N 0 1 283.362 3.773 20 0 CHADMN CC(C)Oc1ccc(-c2ccc([C@@H]3COCCN3)cc2)cc1 ZINC000629733424 1128930249 /nfs/dbraw/zinc/93/02/49/1128930249.db2.gz RUGCKMYJZZEXED-IBGZPJMESA-N 0 1 297.398 3.802 20 0 CHADMN CCC(CC)N(Cc1noc(C2CCC2)n1)CC(C)C ZINC000625213672 1120648142 /nfs/dbraw/zinc/64/81/42/1120648142.db2.gz NXQLNSUSCIEUTB-UHFFFAOYSA-N 0 1 279.428 3.984 20 0 CHADMN CCO[C@@H](CN[C@@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000625227577 1120651924 /nfs/dbraw/zinc/65/19/24/1120651924.db2.gz HZEOJNJZJCNJQV-OALUTQOASA-N 0 1 296.414 3.576 20 0 CHADMN COc1cc(CN2C[C@H](C)CC[C@@H]2c2ccccc2)on1 ZINC000660538370 1120652123 /nfs/dbraw/zinc/65/21/23/1120652123.db2.gz GKMSGBWUGUXWDT-CZUORRHYSA-N 0 1 286.375 3.656 20 0 CHADMN Cc1nocc1CN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000660550487 1120655727 /nfs/dbraw/zinc/65/57/27/1120655727.db2.gz HEEYYNGHKFFOFR-MRXNPFEDSA-N 0 1 296.374 3.505 20 0 CHADMN Cc1nc(CN2CC[C@H](C(C)(C)C)C[C@@H]2C)c(C)o1 ZINC000660557910 1120657858 /nfs/dbraw/zinc/65/78/58/1120657858.db2.gz OHPGCVZEARZWNS-FZMZJTMJSA-N 0 1 264.413 3.938 20 0 CHADMN CSc1cccc(CN2CCC(F)(F)[C@@H](C)C2)c1 ZINC000660565897 1120658733 /nfs/dbraw/zinc/65/87/33/1120658733.db2.gz IOWLTZNFVDSSEW-NSHDSACASA-N 0 1 271.376 3.886 20 0 CHADMN Cc1ccc(CN2CCC(Nc3ccccn3)CC2)cc1F ZINC000625275774 1120659733 /nfs/dbraw/zinc/65/97/33/1120659733.db2.gz KHQZDMUPAUORIL-UHFFFAOYSA-N 0 1 299.393 3.606 20 0 CHADMN CC[C@@H]1CN(Cc2csc3ccccc23)C[C@H](C)O1 ZINC000511841697 1120661431 /nfs/dbraw/zinc/66/14/31/1120661431.db2.gz FGLXPBGDMHAGPT-GXTWGEPZSA-N 0 1 275.417 3.901 20 0 CHADMN C[C@H](NCc1cn(C)cn1)c1ccc(F)c2ccccc21 ZINC000673707487 1120661937 /nfs/dbraw/zinc/66/19/37/1120661937.db2.gz TYHCISVYPJKGOM-LBPRGKRZSA-N 0 1 283.350 3.563 20 0 CHADMN Clc1cnccc1CN1CCC[C@@H](c2ccccn2)C1 ZINC000660627807 1120670871 /nfs/dbraw/zinc/67/08/71/1120670871.db2.gz XODKSJPXOAQLEM-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN CCC[C@@H]1CCCN(Cc2cncc(Br)c2)C1 ZINC000544145227 1120672668 /nfs/dbraw/zinc/67/26/68/1120672668.db2.gz HEGLYVDAXBXVPQ-GFCCVEGCSA-N 0 1 297.240 3.856 20 0 CHADMN Cc1ccc2sc(CN3CCS[C@H](C)CC3)nc2c1 ZINC000625373405 1120673882 /nfs/dbraw/zinc/67/38/82/1120673882.db2.gz JNBLZLXFQQRDLV-GFCCVEGCSA-N 0 1 292.473 3.932 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@@H](C)c1ccccc1N(C)C ZINC000093945240 1120676896 /nfs/dbraw/zinc/67/68/96/1120676896.db2.gz WWEZVXBABOBZEB-RYUDHWBXSA-N 0 1 287.407 3.769 20 0 CHADMN CC[C@@H]1C[C@H](Nc2ccc3cnccc3c2)CCO1 ZINC000651604418 1120679120 /nfs/dbraw/zinc/67/91/20/1120679120.db2.gz IFGWHCIYEQJJMD-HZPDHXFCSA-N 0 1 256.349 3.604 20 0 CHADMN CO[C@@H]1CCC[C@@H](Nc2ccc3cnccc3c2)C1 ZINC000651604420 1120679294 /nfs/dbraw/zinc/67/92/94/1120679294.db2.gz JFSZBGJGROZTFV-GDBMZVCRSA-N 0 1 256.349 3.604 20 0 CHADMN CCC[C@H](C)CCCN1CCC[C@H]1c1nc(C)no1 ZINC000625429233 1120679539 /nfs/dbraw/zinc/67/95/39/1120679539.db2.gz UBLRQACMHHEAEO-JSGCOSHPSA-N 0 1 265.401 3.731 20 0 CHADMN CCO[C@@H]1CCN(Cc2nsc3ccccc32)C[C@H]1C ZINC000660720816 1120680611 /nfs/dbraw/zinc/68/06/11/1120680611.db2.gz RZHBNCCKONFABA-IUODEOHRSA-N 0 1 290.432 3.543 20 0 CHADMN C[C@@H](c1ccco1)N(C)Cc1cc2cnccc2o1 ZINC000651613559 1120681564 /nfs/dbraw/zinc/68/15/64/1120681564.db2.gz HCKYCXIQWVEYAM-NSHDSACASA-N 0 1 256.305 3.614 20 0 CHADMN Clc1ccc(-c2cccc([C@H]3COCCN3)c2)s1 ZINC000629753469 1128933357 /nfs/dbraw/zinc/93/33/57/1128933357.db2.gz PGNXBCJDHTVLIV-GFCCVEGCSA-N 0 1 279.792 3.729 20 0 CHADMN Cc1nc(CN(C)[C@H]2CCC[C@@H]2c2ccccc2)co1 ZINC000660775315 1120687935 /nfs/dbraw/zinc/68/79/35/1120687935.db2.gz ICQZAJWOJVFBSZ-SJORKVTESA-N 0 1 270.376 3.751 20 0 CHADMN Oc1ccc(Cl)c(CN2CCC[C@H](CCF)C2)c1 ZINC000625538746 1120699858 /nfs/dbraw/zinc/69/98/58/1120699858.db2.gz PCRCYINLJZPWFU-LLVKDONJSA-N 0 1 271.763 3.617 20 0 CHADMN c1coc([C@@H](Cc2ccccc2)NCCC2CCC2)n1 ZINC000660925627 1120704009 /nfs/dbraw/zinc/70/40/09/1120704009.db2.gz DHXLYLZNZALSMJ-MRXNPFEDSA-N 0 1 270.376 3.738 20 0 CHADMN C[N@@H+](CCCc1cccc2ccccc21)Cc1cnc[nH]1 ZINC000661084415 1120715198 /nfs/dbraw/zinc/71/51/98/1120715198.db2.gz FLEPYBKCDUECSS-UHFFFAOYSA-N 0 1 279.387 3.628 20 0 CHADMN C[N@H+](CCCc1cccc2ccccc21)Cc1c[nH]cn1 ZINC000661084415 1120715201 /nfs/dbraw/zinc/71/52/01/1120715201.db2.gz FLEPYBKCDUECSS-UHFFFAOYSA-N 0 1 279.387 3.628 20 0 CHADMN CN(CCCc1cccc2ccccc21)Cc1c[nH]cn1 ZINC000661084415 1120715207 /nfs/dbraw/zinc/71/52/07/1120715207.db2.gz FLEPYBKCDUECSS-UHFFFAOYSA-N 0 1 279.387 3.628 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2ccccn2)c(C)c1 ZINC000893421344 1120716922 /nfs/dbraw/zinc/71/69/22/1120716922.db2.gz RRSJBUACAVOUHV-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN Fc1ccc(F)c(CNCc2cccc3c2CCC3)c1 ZINC000651704345 1120719289 /nfs/dbraw/zinc/71/92/89/1120719289.db2.gz GMBAZYZNKZAJDM-UHFFFAOYSA-N 0 1 273.326 3.743 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cccc2c1CCC2 ZINC000651716733 1120722416 /nfs/dbraw/zinc/72/24/16/1120722416.db2.gz GTOBVNKXOIHQDW-LLVKDONJSA-N 0 1 270.376 3.631 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1sc2ccccc2c1Cl ZINC000044621244 1120725029 /nfs/dbraw/zinc/72/50/29/1120725029.db2.gz HHNVZXXJOYWIBQ-JTQLQIEISA-N 0 1 297.807 3.850 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1sc2ccccc2c1Cl ZINC000044621244 1120725032 /nfs/dbraw/zinc/72/50/32/1120725032.db2.gz HHNVZXXJOYWIBQ-JTQLQIEISA-N 0 1 297.807 3.850 20 0 CHADMN CC[C@H](C(=O)[O-])[N@H+](C)Cc1sc2ccccc2c1Cl ZINC000044621247 1120725796 /nfs/dbraw/zinc/72/57/96/1120725796.db2.gz HHNVZXXJOYWIBQ-SNVBAGLBSA-N 0 1 297.807 3.850 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1sc2ccccc2c1Cl ZINC000044621247 1120725801 /nfs/dbraw/zinc/72/58/01/1120725801.db2.gz HHNVZXXJOYWIBQ-SNVBAGLBSA-N 0 1 297.807 3.850 20 0 CHADMN Nc1cc(NC2c3ccccc3-c3ccccc32)ncc1F ZINC001167776022 1120728203 /nfs/dbraw/zinc/72/82/03/1120728203.db2.gz DJSYZTCBMGXWRE-UHFFFAOYSA-N 0 1 291.329 3.985 20 0 CHADMN CC(=O)c1cccc(CN2CCC(c3ccco3)CC2)c1 ZINC000661161764 1120729237 /nfs/dbraw/zinc/72/92/37/1120729237.db2.gz XVDOKVXTHPRZQM-UHFFFAOYSA-N 0 1 283.371 3.862 20 0 CHADMN Cc1cc(CN2CCO[C@](C)(C3CC3)C2)c2ccccc2n1 ZINC000661169245 1120731127 /nfs/dbraw/zinc/73/11/27/1120731127.db2.gz DKWIAFRFPFQJKT-IBGZPJMESA-N 0 1 296.414 3.544 20 0 CHADMN CC[C@@]1(C)CCC[C@@H]1NCc1nc(-c2ccccc2)no1 ZINC000651763619 1120738308 /nfs/dbraw/zinc/73/83/08/1120738308.db2.gz FFFJFEDUZFRMDO-YOEHRIQHSA-N 0 1 285.391 3.795 20 0 CHADMN C[C@]1(Cc2ccccc2Cl)CCCN1Cc1ccon1 ZINC000661211948 1120739047 /nfs/dbraw/zinc/73/90/47/1120739047.db2.gz YSFPUIRTJZQNFJ-MRXNPFEDSA-N 0 1 290.794 3.925 20 0 CHADMN CC(C)c1noc(CN2CCCC3(CCCC3)CC2)n1 ZINC000661227753 1120741403 /nfs/dbraw/zinc/74/14/03/1120741403.db2.gz LKALGMCSRVKCKC-UHFFFAOYSA-N 0 1 277.412 3.739 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1nnc(-c2cc(C)oc2C)o1 ZINC000661234691 1120742847 /nfs/dbraw/zinc/74/28/47/1120742847.db2.gz OSPUONWQEVQOIR-GFCCVEGCSA-N 0 1 291.395 3.861 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1noc(-c2ccccc2)n1 ZINC000661236112 1120742864 /nfs/dbraw/zinc/74/28/64/1120742864.db2.gz XMGBJDIRLHGBQN-GFCCVEGCSA-N 0 1 273.380 3.651 20 0 CHADMN CCCN(Cc1ccccc1)C(=O)c1cc(C(C)C)[nH]n1 ZINC000045083831 1120745939 /nfs/dbraw/zinc/74/59/39/1120745939.db2.gz HZRGJGIVDWLMPC-UHFFFAOYSA-N 0 1 285.391 3.586 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2ccccc2C)no1 ZINC000044590437 1120752471 /nfs/dbraw/zinc/75/24/71/1120752471.db2.gz IPCIMXXSBHBWKW-MRXNPFEDSA-N 0 1 256.349 3.629 20 0 CHADMN c1coc([C@H]2N(CCc3cscn3)CC23CCCC3)c1 ZINC000661435445 1120765803 /nfs/dbraw/zinc/76/58/03/1120765803.db2.gz HEAMSGPHWKHZGQ-OAHLLOKOSA-N 0 1 288.416 3.896 20 0 CHADMN CCc1nocc1CN1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000651874998 1120769105 /nfs/dbraw/zinc/76/91/05/1120769105.db2.gz PIIFBWKZPPGCQD-QGZVFWFLSA-N 0 1 288.366 3.540 20 0 CHADMN CC(C)CCN(CC(=O)c1c[nH]c2ccccc12)C1CC1 ZINC000109066378 1120769377 /nfs/dbraw/zinc/76/93/77/1120769377.db2.gz QKDGGWVAQCGYHO-UHFFFAOYSA-N 0 1 284.403 3.861 20 0 CHADMN Fc1cncc(C[N@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC000661578360 1120781205 /nfs/dbraw/zinc/78/12/05/1120781205.db2.gz LHVNXYRJBYHFEL-HNNXBMFYSA-N 0 1 262.372 3.623 20 0 CHADMN COCc1nc(C[N@H+]2CC[C@H](C3CCCCC3)C2)cs1 ZINC000661578103 1120781480 /nfs/dbraw/zinc/78/14/80/1120781480.db2.gz INBWUTQEGTUYNX-AWEZNQCLSA-N 0 1 294.464 3.692 20 0 CHADMN COCc1nc(CN2CC[C@H](C3CCCCC3)C2)cs1 ZINC000661578103 1120781484 /nfs/dbraw/zinc/78/14/84/1120781484.db2.gz INBWUTQEGTUYNX-AWEZNQCLSA-N 0 1 294.464 3.692 20 0 CHADMN Cn1ccnc1[C@H](NCc1cccc2ccsc21)C1CC1 ZINC000652219577 1120800753 /nfs/dbraw/zinc/80/07/53/1120800753.db2.gz FDLLEBYIGVSGBC-OAHLLOKOSA-N 0 1 297.427 3.876 20 0 CHADMN Cc1cccc(CNCc2cccnc2OC(C)C)c1C ZINC000048068417 1120801060 /nfs/dbraw/zinc/80/10/60/1120801060.db2.gz LDTQDPJMFOIKFT-UHFFFAOYSA-N 0 1 284.403 3.775 20 0 CHADMN Cc1ccc(CNCc2cccc(OC(C)C)c2)o1 ZINC000048326978 1120810511 /nfs/dbraw/zinc/81/05/11/1120810511.db2.gz ASKJWJIOSAJJET-UHFFFAOYSA-N 0 1 259.349 3.665 20 0 CHADMN Cc1nccc(CN2CCCC[C@@H]2c2ccccc2)n1 ZINC000335917215 1120812837 /nfs/dbraw/zinc/81/28/37/1120812837.db2.gz GGRLQWZSZRDTHG-QGZVFWFLSA-N 0 1 267.376 3.512 20 0 CHADMN Cc1ccc(C2CCN(Cc3cnc(F)cc3C)CC2)cn1 ZINC000893511436 1120814338 /nfs/dbraw/zinc/81/43/38/1120814338.db2.gz ODVLGCSLRBZETP-UHFFFAOYSA-N 0 1 299.393 3.612 20 0 CHADMN C[C@H](NC[C@@H]1CC[C@@H](c2ccccc2)O1)c1cscn1 ZINC000652309184 1120818206 /nfs/dbraw/zinc/81/82/06/1120818206.db2.gz JAGIYLSURVWVJN-NOLJZWGESA-N 0 1 288.416 3.714 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(-n3ccnc3)cc2)o1 ZINC000048436406 1120820793 /nfs/dbraw/zinc/82/07/93/1120820793.db2.gz IMZSXXDZNZFIDD-CQSZACIVSA-N 0 1 281.359 3.625 20 0 CHADMN C[C@@H]1CCN(CCc2c(F)cccc2Cl)C[C@H](C)O1 ZINC000661858502 1120825180 /nfs/dbraw/zinc/82/51/80/1120825180.db2.gz IWZHHKQYQYGLFE-NEPJUHHUSA-N 0 1 285.790 3.521 20 0 CHADMN Cc1cccc(Cl)c1N1N=C2CCCC[C@H]2C1=O ZINC000634609106 1128942810 /nfs/dbraw/zinc/94/28/10/1128942810.db2.gz WGHWBVSCSBEJFH-SNVBAGLBSA-N 0 1 262.740 3.541 20 0 CHADMN Cc1cccc(Cl)c1-n1[nH]c2c(c1=O)CCCC2 ZINC000634609106 1128942811 /nfs/dbraw/zinc/94/28/11/1128942811.db2.gz WGHWBVSCSBEJFH-SNVBAGLBSA-N 0 1 262.740 3.541 20 0 CHADMN CC[N@@H+](CC[C@@H](C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000652368594 1120843456 /nfs/dbraw/zinc/84/34/56/1120843456.db2.gz KPFGHDFPLYOLAX-QGZVFWFLSA-N 0 1 289.419 3.900 20 0 CHADMN Cc1oc([C@@H](C)[N@@H+](C)Cc2ccc(C)cc2)cc1C(=O)[O-] ZINC000652372819 1120844828 /nfs/dbraw/zinc/84/48/28/1120844828.db2.gz RDLOLDWDHDVOIF-GFCCVEGCSA-N 0 1 287.359 3.788 20 0 CHADMN C[C@@H]1COC2(CCCC2)CN1Cc1cnc2ccccc2c1 ZINC000661977929 1120851237 /nfs/dbraw/zinc/85/12/37/1120851237.db2.gz CEUPVXSHXVXERO-OAHLLOKOSA-N 0 1 296.414 3.768 20 0 CHADMN CCCCc1nc2ccc(NC(=O)[C@H]3C[C@H]3C)cc2[nH]1 ZINC000049428894 1120858687 /nfs/dbraw/zinc/85/86/87/1120858687.db2.gz RJCKPSBUYLUMGA-PWSUYJOCSA-N 0 1 271.364 3.500 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCCC[C@H]2C2CCC2)cs1 ZINC000652415345 1120859746 /nfs/dbraw/zinc/85/97/46/1120859746.db2.gz LEDINXQJHKDJEZ-ZDUSSCGKSA-N 0 1 279.405 3.601 20 0 CHADMN CC(C)c1noc([C@H](C)N2CCC[C@@H](C3CCC3)C2)n1 ZINC000662041165 1120863533 /nfs/dbraw/zinc/86/35/33/1120863533.db2.gz YNUNSZQYEOXODS-GXTWGEPZSA-N 0 1 277.412 3.766 20 0 CHADMN Cc1cccc([C@H](C)N[C@H]2COc3ccc(F)cc32)c1 ZINC000467003573 1120863618 /nfs/dbraw/zinc/86/36/18/1120863618.db2.gz RONWJIQNZYRVLM-LRDDRELGSA-N 0 1 271.335 3.918 20 0 CHADMN COc1ccc2nc(-c3ccc(C)c(C)c3)[nH]c2c1 ZINC000086576446 1120865234 /nfs/dbraw/zinc/86/52/34/1120865234.db2.gz VJKMITFGEKSXSJ-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN O=C([O-])CC[N@H+](Cc1cccc2ccccc21)CC1CC1 ZINC000652467888 1120868170 /nfs/dbraw/zinc/86/81/70/1120868170.db2.gz NKQRZQGSHACUQU-UHFFFAOYSA-N 0 1 283.371 3.527 20 0 CHADMN CC(C)CC1(NCc2cc(C(C)(C)C)on2)CC1 ZINC000662067377 1120868322 /nfs/dbraw/zinc/86/83/22/1120868322.db2.gz XOWGPAFDDJZGKL-UHFFFAOYSA-N 0 1 250.386 3.640 20 0 CHADMN CC(C)C[C@H](C)C[N@@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000652475501 1120869046 /nfs/dbraw/zinc/86/90/46/1120869046.db2.gz ZLIFNXKUVUWTFN-LBPRGKRZSA-N 0 1 299.361 3.534 20 0 CHADMN CC(C)CC1(NCc2ncc(C(C)(C)C)o2)CC1 ZINC000662068406 1120869148 /nfs/dbraw/zinc/86/91/48/1120869148.db2.gz FUCMVICXLCXYBF-UHFFFAOYSA-N 0 1 250.386 3.640 20 0 CHADMN COc1cncc(CN(C)[C@@H](C)c2cc(C)ccc2C)c1 ZINC000343888513 1120870398 /nfs/dbraw/zinc/87/03/98/1120870398.db2.gz XMYUADIERNQABY-HNNXBMFYSA-N 0 1 284.403 3.900 20 0 CHADMN O=C([O-])C[N@@H+](Cc1ccc(Cl)cc1F)C1CCCCC1 ZINC000652482770 1120871393 /nfs/dbraw/zinc/87/13/93/1120871393.db2.gz ULQCUOMCBGCVFH-UHFFFAOYSA-N 0 1 299.773 3.698 20 0 CHADMN COc1c(F)cccc1CN1Cc2ccccc2[C@H](C)C1 ZINC001143521804 1120880075 /nfs/dbraw/zinc/88/00/75/1120880075.db2.gz IIDXBINKGCMQLI-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN Cc1c(C)c(C)c(CN2CCc3nccnc3C2)c(C)c1C ZINC000662124004 1120880706 /nfs/dbraw/zinc/88/07/06/1120880706.db2.gz GJONOUCVJCQULF-UHFFFAOYSA-N 0 1 295.430 3.577 20 0 CHADMN Clc1ccccc1C1CC(OCc2cnc[nH]2)C1 ZINC001223008458 1120884077 /nfs/dbraw/zinc/88/40/77/1120884077.db2.gz ZLHPFKSGZRSDJJ-UHFFFAOYSA-N 0 1 262.740 3.526 20 0 CHADMN CCCCC[C@H]1CCCCN1Cc1nnc(CC)o1 ZINC000662155826 1120886635 /nfs/dbraw/zinc/88/66/35/1120886635.db2.gz OESHJLCGXANXGC-ZDUSSCGKSA-N 0 1 265.401 3.567 20 0 CHADMN Cc1cccc(C)c1CNc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000630059384 1128947142 /nfs/dbraw/zinc/94/71/42/1128947142.db2.gz GAZASLCQRRMIEH-UHFFFAOYSA-N 0 1 296.349 3.840 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@@H]2CCCC23CC3)c1Cl ZINC000623826281 1120892392 /nfs/dbraw/zinc/89/23/92/1120892392.db2.gz YOPGNKHDBDMXGB-LBPRGKRZSA-N 0 1 265.784 3.716 20 0 CHADMN CC(C)C[C@H](N)c1noc(C2[C@H]3CCCCCC[C@H]23)n1 ZINC000663250342 1120900432 /nfs/dbraw/zinc/90/04/32/1120900432.db2.gz DPEKQGQBQZXRDI-AVGNSLFASA-N 0 1 277.412 3.799 20 0 CHADMN CC(C)c1cccc(C[N@@H+]([C@H](C)C(=O)[O-])C2CCC2)c1 ZINC000663316168 1120922336 /nfs/dbraw/zinc/92/23/36/1120922336.db2.gz BYDPBLCLSLEFBB-CYBMUJFWSA-N 0 1 275.392 3.638 20 0 CHADMN C[N@H+](Cc1c(Cl)cccc1C(=O)[O-])C[C@H]1CC1(C)C ZINC000663316851 1120923131 /nfs/dbraw/zinc/92/31/31/1120923131.db2.gz IFBUMKQWGXIMSX-SNVBAGLBSA-N 0 1 281.783 3.516 20 0 CHADMN Clc1sccc1CN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662308693 1120923956 /nfs/dbraw/zinc/92/39/56/1120923956.db2.gz YLVFNKLPWKEDKQ-GASCZTMLSA-N 0 1 297.851 3.794 20 0 CHADMN CCC(CC)n1ccc(CNC2(COC)CCCCC2)n1 ZINC000662341988 1120928211 /nfs/dbraw/zinc/92/82/11/1120928211.db2.gz XRDNZTOIEAAHBX-UHFFFAOYSA-N 0 1 293.455 3.683 20 0 CHADMN CC1(C)CN(CCc2ccccc2F)[C@@H]1c1cccnc1 ZINC000644835726 1120949398 /nfs/dbraw/zinc/94/93/98/1120949398.db2.gz UBUUSXCRKHVSSJ-QGZVFWFLSA-N 0 1 284.378 3.846 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cncc(Cl)c2)cc1 ZINC000621243147 1120950640 /nfs/dbraw/zinc/95/06/40/1120950640.db2.gz MPGMMZOINRHRCQ-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN CC(C)(C)c1nc(CSc2nc(C3CC3)n[nH]2)cs1 ZINC000120652045 1120951009 /nfs/dbraw/zinc/95/10/09/1120951009.db2.gz HUOBQRYOKSZOII-UHFFFAOYSA-N 0 1 294.449 3.728 20 0 CHADMN CC(C)(C)c1nc(CSc2n[nH]c(C3CC3)n2)cs1 ZINC000120652045 1120951013 /nfs/dbraw/zinc/95/10/13/1120951013.db2.gz HUOBQRYOKSZOII-UHFFFAOYSA-N 0 1 294.449 3.728 20 0 CHADMN Fc1ccc(-n2nccc2CN2CCC(C3CC3)CC2)cc1 ZINC000644837080 1120955451 /nfs/dbraw/zinc/95/54/51/1120955451.db2.gz GROLGECOGLNYQP-UHFFFAOYSA-N 0 1 299.393 3.633 20 0 CHADMN CCCCc1nc(CN2CCCCCC2)cs1 ZINC000051591211 1120957705 /nfs/dbraw/zinc/95/77/05/1120957705.db2.gz MAHGTXNGLYDGOX-UHFFFAOYSA-N 0 1 252.427 3.862 20 0 CHADMN COCc1ccc(CN2CCc3ccc(F)cc3C2)cc1 ZINC000093383747 1128952233 /nfs/dbraw/zinc/95/22/33/1128952233.db2.gz QQQCWUVIFNGMPJ-UHFFFAOYSA-N 0 1 285.362 3.530 20 0 CHADMN c1ncc(CNc2cccc(COc3ccccc3)c2)[nH]1 ZINC000114274237 1120959275 /nfs/dbraw/zinc/95/92/75/1120959275.db2.gz ZATHADRCPDUOAT-UHFFFAOYSA-N 0 1 279.343 3.601 20 0 CHADMN C[C@H]1CN(Cc2ccc(C3CCC3)cc2)C[C@H](C)O1 ZINC000350122234 1120961704 /nfs/dbraw/zinc/96/17/04/1120961704.db2.gz MAJJHRXULIUQSG-KBPBESRZSA-N 0 1 259.393 3.563 20 0 CHADMN CC1(C)CCC(C[N@@H+](CC(=O)[O-])C2CCCC2)CC1 ZINC000311786782 1120965524 /nfs/dbraw/zinc/96/55/24/1120965524.db2.gz ZMJACJQDZOTAFG-UHFFFAOYSA-N 0 1 267.413 3.532 20 0 CHADMN Clc1cccc(N2CCCC2)c1CN1CC(C2CC2)C1 ZINC000643345730 1120970926 /nfs/dbraw/zinc/97/09/26/1120970926.db2.gz JEOVARJHKIHYBS-UHFFFAOYSA-N 0 1 290.838 3.782 20 0 CHADMN COc1ccncc1CN[C@H](C)c1ccc(SC)cc1 ZINC000286766411 1120977161 /nfs/dbraw/zinc/97/71/61/1120977161.db2.gz GFULDPRZOSBHAG-GFCCVEGCSA-N 0 1 288.416 3.663 20 0 CHADMN Cc1cc(C)cc(OCCCN2CC3(C2)CC(F)(F)C3)c1 ZINC000663463807 1120981065 /nfs/dbraw/zinc/98/10/65/1120981065.db2.gz INVADSBOHUCYHR-UHFFFAOYSA-N 0 1 295.373 3.803 20 0 CHADMN CCSc1ccccc1[C@H](C)NCc1ccnn1CC ZINC000663468055 1120982123 /nfs/dbraw/zinc/98/21/23/1120982123.db2.gz ROUQHAONULTGAJ-ZDUSSCGKSA-N 0 1 289.448 3.866 20 0 CHADMN CC(=O)c1ccccc1OCC[N@H+](C)[C@H](C)c1ccccc1 ZINC000302735261 1120983480 /nfs/dbraw/zinc/98/34/80/1120983480.db2.gz GGCSHISCTVEBLD-OAHLLOKOSA-N 0 1 297.398 3.961 20 0 CHADMN CCn1nccc1CN[C@@H]1CCCc2c(Cl)cccc21 ZINC000663471624 1120985926 /nfs/dbraw/zinc/98/59/26/1120985926.db2.gz UQPJIMJGQNPLAV-MRXNPFEDSA-N 0 1 289.810 3.724 20 0 CHADMN Cc1n[nH]c(C(=O)NC2(c3cccc(C)c3)CCCC2)c1C ZINC000604325249 1120988235 /nfs/dbraw/zinc/98/82/35/1120988235.db2.gz QHQPTPFOQWQBEI-UHFFFAOYSA-N 0 1 297.402 3.534 20 0 CHADMN c1sc([C@H]2CCCCN2)nc1COc1ccccc1 ZINC000630380306 1128954867 /nfs/dbraw/zinc/95/48/67/1128954867.db2.gz APBRPODYMWANBH-CQSZACIVSA-N 0 1 274.389 3.537 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2nccnc2C)s1 ZINC000219109756 1120992946 /nfs/dbraw/zinc/99/29/46/1120992946.db2.gz BLYIDZIFYXMNGG-CMPLNLGQSA-N 0 1 261.394 3.567 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000303599066 1120995388 /nfs/dbraw/zinc/99/53/88/1120995388.db2.gz JOYSNUOINNQFSL-HNNXBMFYSA-N 0 1 299.418 3.995 20 0 CHADMN CC(C)CCc1ccc(NC(=O)c2coc(CN)c2)cc1 ZINC000563151073 1121000216 /nfs/dbraw/zinc/00/02/16/1121000216.db2.gz RLYAPJJPICTVFF-UHFFFAOYSA-N 0 1 286.375 3.579 20 0 CHADMN CN(Cc1cnn(C)c1)Cc1ccc(C2CCCC2)cc1 ZINC000343961283 1121000411 /nfs/dbraw/zinc/00/04/11/1121000411.db2.gz AWJATYRQRDECEG-UHFFFAOYSA-N 0 1 283.419 3.710 20 0 CHADMN Fc1ccc(Cl)cc1CNCc1ccsc1 ZINC000162681304 1121003586 /nfs/dbraw/zinc/00/35/86/1121003586.db2.gz LSCRSNYTJQPPIY-UHFFFAOYSA-N 0 1 255.745 3.830 20 0 CHADMN Cc1ccc(C)c(NC(=O)c2[nH]cnc2C(C)(C)C)c1 ZINC000630388809 1128955597 /nfs/dbraw/zinc/95/55/97/1128955597.db2.gz JRLBINGSZZTCSW-UHFFFAOYSA-N 0 1 271.364 3.576 20 0 CHADMN C[C@H](NCc1cccnc1N)c1ccc(Cl)c(Cl)c1 ZINC000432361689 1121014864 /nfs/dbraw/zinc/01/48/64/1121014864.db2.gz FMLVYARWMMNTAC-VIFPVBQESA-N 0 1 296.201 3.821 20 0 CHADMN c1ccc([C@@H](NCc2cnc3ccccc3n2)C2CC2)cc1 ZINC000315576286 1121015854 /nfs/dbraw/zinc/01/58/54/1121015854.db2.gz QDZBWIYHZJKFGY-LJQANCHMSA-N 0 1 289.382 3.871 20 0 CHADMN CN(CCC(=O)C(C)(C)C)Cc1ccc(Cl)s1 ZINC000054026569 1121017626 /nfs/dbraw/zinc/01/76/26/1121017626.db2.gz QVBISSHPVUGODU-UHFFFAOYSA-N 0 1 273.829 3.839 20 0 CHADMN CC[C@H](NC(=O)Cc1[nH]nc2ccccc21)C1CCCCC1 ZINC000585711972 1121019512 /nfs/dbraw/zinc/01/95/12/1121019512.db2.gz WRDHEVJJDFERFY-HNNXBMFYSA-N 0 1 299.418 3.581 20 0 CHADMN Cc1cccc(NC(=O)c2[nH]cnc2C(C)(C)C)c1C ZINC000630395550 1128956693 /nfs/dbraw/zinc/95/66/93/1128956693.db2.gz VPCCWVMZRKQXRI-UHFFFAOYSA-N 0 1 271.364 3.576 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cn3ccccc3n2)[C@@H]2CCCC[C@@H]12 ZINC000058518191 1121029194 /nfs/dbraw/zinc/02/91/94/1121029194.db2.gz ZSGBPOWVQTXALY-HYVNUMGLSA-N 0 1 283.419 3.735 20 0 CHADMN C[C@@H]1CCN(Cc2cn3ccccc3n2)[C@@H]2CCCC[C@@H]12 ZINC000058518191 1121029202 /nfs/dbraw/zinc/02/92/02/1121029202.db2.gz ZSGBPOWVQTXALY-HYVNUMGLSA-N 0 1 283.419 3.735 20 0 CHADMN CCC[C@H]1C[N@H+]([C@@H](C)c2ccc3c(c2)CCC3)CCO1 ZINC001307588117 1121029264 /nfs/dbraw/zinc/02/92/64/1121029264.db2.gz CJEIWVLLUCFWDB-KSSFIOAISA-N 0 1 273.420 3.737 20 0 CHADMN CCC[C@H]1CN([C@@H](C)c2ccc3c(c2)CCC3)CCO1 ZINC001307588117 1121029273 /nfs/dbraw/zinc/02/92/73/1121029273.db2.gz CJEIWVLLUCFWDB-KSSFIOAISA-N 0 1 273.420 3.737 20 0 CHADMN CC=Nc1cc(-c2ccccc2Br)no1 ZINC001174783929 1121030762 /nfs/dbraw/zinc/03/07/62/1121030762.db2.gz PMNZUNCTYMXPPN-UHFFFAOYSA-N 0 1 265.110 3.660 20 0 CHADMN CC1(C)CN(Cc2cccnc2)[C@@H]1c1ccccc1 ZINC000674009407 1121036677 /nfs/dbraw/zinc/03/66/77/1121036677.db2.gz IJKRXXXLGPXGNV-MRXNPFEDSA-N 0 1 252.361 3.665 20 0 CHADMN C[C@H](NCC=C(Cl)Cl)c1ccc2c(c1)CCCO2 ZINC001174749119 1121037039 /nfs/dbraw/zinc/03/70/39/1121037039.db2.gz GLNKXMMDUXBRGG-JTQLQIEISA-N 0 1 286.202 3.981 20 0 CHADMN Cc1scc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C)cc2)c1C ZINC000630449816 1128957866 /nfs/dbraw/zinc/95/78/66/1128957866.db2.gz LPLFPFUBNRTZJH-OAHLLOKOSA-N 0 1 289.400 3.589 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)c1[nH]cnc1C(C)(C)C ZINC000630435850 1128957890 /nfs/dbraw/zinc/95/78/90/1128957890.db2.gz OSSXAXTVQLPIML-UHFFFAOYSA-N 0 1 291.782 3.921 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](C)Sc2sccc21)c1cn[nH]c1 ZINC000222509454 1121044042 /nfs/dbraw/zinc/04/40/42/1121044042.db2.gz YACYZHGXLVRCCV-HOTUBEGUSA-N 0 1 279.434 3.747 20 0 CHADMN C[C@H](N[C@H]1C[C@H](C)Sc2sccc21)c1cn[nH]c1 ZINC000222509575 1121044729 /nfs/dbraw/zinc/04/47/29/1121044729.db2.gz YACYZHGXLVRCCV-AUTRQRHGSA-N 0 1 279.434 3.747 20 0 CHADMN Cc1ccccc1[C@@H](C)[N@@H+](C)CCc1ccccc1C(=O)[O-] ZINC000317700758 1121044748 /nfs/dbraw/zinc/04/47/48/1121044748.db2.gz DCOFQTBZMYRJRB-OAHLLOKOSA-N 0 1 297.398 3.929 20 0 CHADMN C=Cc1ccccc1Nc1ccc(N2CCN(C)CC2)cc1 ZINC001174815265 1121044722 /nfs/dbraw/zinc/04/47/22/1121044722.db2.gz XFTYEGUHKLGHBT-UHFFFAOYSA-N 0 1 293.414 3.825 20 0 CHADMN Cc1ccoc1CN1CCC[C@@H]1c1cccc(C)n1 ZINC000093453517 1128958313 /nfs/dbraw/zinc/95/83/13/1128958313.db2.gz NMJKRSKPTWQFEQ-OAHLLOKOSA-N 0 1 256.349 3.629 20 0 CHADMN C[C@H]1CN(CCc2cccc(F)c2F)C[C@H](C)C1(F)F ZINC000625654812 1121046473 /nfs/dbraw/zinc/04/64/73/1121046473.db2.gz QYVWVHRQFBLMSE-QWRGUYRKSA-N 0 1 289.316 3.730 20 0 CHADMN CCn1nc(C)c(CN2CCC[C@H]2c2cccc(C)n2)c1C ZINC000093453336 1128958498 /nfs/dbraw/zinc/95/84/98/1128958498.db2.gz PVTMZUFPZBQUAR-SFHVURJKSA-N 0 1 298.434 3.560 20 0 CHADMN Cc1cc(CN2CCC[C@@H](c3ccc(F)c(F)c3)C2)on1 ZINC000625656685 1121049701 /nfs/dbraw/zinc/04/97/01/1121049701.db2.gz ZSXVRBKWLUYFQV-CYBMUJFWSA-N 0 1 292.329 3.641 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)N1CC[C@@H](C2CC2)C1 ZINC000344011093 1121052974 /nfs/dbraw/zinc/05/29/74/1121052974.db2.gz SAGUEOKHUZPAHS-ZYHUDNBSSA-N 0 1 289.404 3.591 20 0 CHADMN CCC(CC)N(CC)Cc1ncc(Br)s1 ZINC000344026427 1121058779 /nfs/dbraw/zinc/05/87/79/1121058779.db2.gz JREGWCWVMWVNPT-UHFFFAOYSA-N 0 1 291.258 3.916 20 0 CHADMN C[C@H]1COC2(CCCC2)CN1CCOC1CCCCCC1 ZINC001174852396 1121065852 /nfs/dbraw/zinc/06/58/52/1121065852.db2.gz ASAYMCBSLWMJST-INIZCTEOSA-N 0 1 295.467 3.759 20 0 CHADMN Cc1nc(CN(C)C[C@H]2CC=CCC2)c(C)s1 ZINC000344058605 1121068593 /nfs/dbraw/zinc/06/85/93/1121068593.db2.gz LEEULLLRCXFJGM-ZDUSSCGKSA-N 0 1 250.411 3.548 20 0 CHADMN C[C@H](N[C@@H]1COc2ccc(F)cc21)c1ccc2c(c1)COC2 ZINC000344111132 1121088318 /nfs/dbraw/zinc/08/83/18/1121088318.db2.gz TWBGUPRTCYAOOA-APPDUMDISA-N 0 1 299.345 3.640 20 0 CHADMN CCN(Cc1cncc(OC)c1)[C@H](C)c1ccc(F)cc1 ZINC000344114410 1121089021 /nfs/dbraw/zinc/08/90/21/1121089021.db2.gz VTWKKIDJVRGVKV-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN CCCCCNC(=O)[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000037980649 1121090947 /nfs/dbraw/zinc/09/09/47/1121090947.db2.gz DWBGIVWUUONZIV-OLZOCXBDSA-N 0 1 296.842 3.686 20 0 CHADMN COCc1ccc(Nc2cnc3cccc(C)n23)cc1 ZINC001174920215 1121094937 /nfs/dbraw/zinc/09/49/37/1121094937.db2.gz VBGJIAFNAJQXON-UHFFFAOYSA-N 0 1 267.332 3.533 20 0 CHADMN CCC[N@H+](Cc1nnc(C(C)C)o1)CC1CCCCC1 ZINC000171145602 1121096614 /nfs/dbraw/zinc/09/66/14/1121096614.db2.gz PRSZJKLEEUIVIG-UHFFFAOYSA-N 0 1 279.428 3.985 20 0 CHADMN CCCN(Cc1nnc(C(C)C)o1)CC1CCCCC1 ZINC000171145602 1121096621 /nfs/dbraw/zinc/09/66/21/1121096621.db2.gz PRSZJKLEEUIVIG-UHFFFAOYSA-N 0 1 279.428 3.985 20 0 CHADMN CSc1ccc(NC(=O)c2[nH]cnc2C(C)(C)C)cc1 ZINC000630580241 1128962116 /nfs/dbraw/zinc/96/21/16/1128962116.db2.gz CQFBRHGLWPGBCJ-UHFFFAOYSA-N 0 1 289.404 3.681 20 0 CHADMN CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000512127645 1121107174 /nfs/dbraw/zinc/10/71/74/1121107174.db2.gz BLSDSVYRWHBXFP-KBPBESRZSA-N 0 1 295.496 3.509 20 0 CHADMN Fc1cc(C2CC2)ccc1CN[C@H]1CCCn2nccc21 ZINC000658018491 1121109677 /nfs/dbraw/zinc/10/96/77/1121109677.db2.gz REESIRYZOVXVRP-INIZCTEOSA-N 0 1 285.366 3.524 20 0 CHADMN CC(C)OCCCN(Cc1ccc(F)cc1F)C1CC1 ZINC000344187307 1121115979 /nfs/dbraw/zinc/11/59/79/1121115979.db2.gz AMMBXDLMDWZTFS-UHFFFAOYSA-N 0 1 283.362 3.744 20 0 CHADMN Cc1occc1CN1CCC(Oc2cccc(F)c2)CC1 ZINC000529636605 1121116784 /nfs/dbraw/zinc/11/67/84/1121116784.db2.gz DSFVNKNIWKFYPX-UHFFFAOYSA-N 0 1 289.350 3.771 20 0 CHADMN Cc1ccncc1CN[C@@H](C)c1ccc(C(F)F)nc1 ZINC000658030668 1121117985 /nfs/dbraw/zinc/11/79/85/1121117985.db2.gz UNPGBLMPGHIKHV-NSHDSACASA-N 0 1 277.318 3.573 20 0 CHADMN C[C@H](CC(=O)OC(C)(C)C)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000344209573 1121120763 /nfs/dbraw/zinc/12/07/63/1121120763.db2.gz BCSFWFACVAVUGN-YRGRVCCFSA-N 0 1 293.407 3.613 20 0 CHADMN C[C@H](Cc1ccco1)NCc1nc(C(C)(C)C)cs1 ZINC000094965559 1121127607 /nfs/dbraw/zinc/12/76/07/1121127607.db2.gz HQMGFJIWCCYVKV-LLVKDONJSA-N 0 1 278.421 3.754 20 0 CHADMN Clc1ccccc1C1(N[C@@H]2COC3(CCC3)C2)CC1 ZINC000658048812 1121132919 /nfs/dbraw/zinc/13/29/19/1121132919.db2.gz YHNFTEIZSUJBJV-LBPRGKRZSA-N 0 1 277.795 3.630 20 0 CHADMN Cc1ccccc1[C@@H](C)N1Cc2ccc(O)cc2C1 ZINC000625727378 1121135770 /nfs/dbraw/zinc/13/57/70/1121135770.db2.gz VRISELZKLKTKRF-CYBMUJFWSA-N 0 1 253.345 3.777 20 0 CHADMN CCCCO[C@H]1C[C@@H](NCc2nc(C)sc2C)C1(C)C ZINC000344298376 1121137971 /nfs/dbraw/zinc/13/79/71/1121137971.db2.gz NUVHDABYQAPCFA-CABCVRRESA-N 0 1 296.480 3.833 20 0 CHADMN CN(C)c1ccccc1CN(C)Cc1cc2ccccc2[nH]1 ZINC000674505586 1121142221 /nfs/dbraw/zinc/14/22/21/1121142221.db2.gz OIOWQJOMYCZYAC-UHFFFAOYSA-N 0 1 293.414 3.866 20 0 CHADMN COc1ccc([C@@H](C)CN2Cc3ccc(O)cc3C2)cc1 ZINC000625728231 1121145407 /nfs/dbraw/zinc/14/54/07/1121145407.db2.gz AOOWONOILNHWKV-ZDUSSCGKSA-N 0 1 283.371 3.520 20 0 CHADMN C[C@@H](NC1(c2ccccc2)CC1)c1cnn(C2CCC2)c1 ZINC000925825812 1121152028 /nfs/dbraw/zinc/15/20/28/1121152028.db2.gz IBGAUTLAQSGXRY-CQSZACIVSA-N 0 1 281.403 3.948 20 0 CHADMN CCOc1cc(Nc2cnc3cccc(C)n23)ccc1F ZINC001175050041 1121159919 /nfs/dbraw/zinc/15/99/19/1121159919.db2.gz NMLHZWSFXYRPGA-UHFFFAOYSA-N 0 1 285.322 3.924 20 0 CHADMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1nc(C(C)(C)C)co1 ZINC000893677978 1121161402 /nfs/dbraw/zinc/16/14/02/1121161402.db2.gz YZIJCIPMXUCTBO-RYUDHWBXSA-N 0 1 250.386 3.593 20 0 CHADMN CC[C@H]1[C@@H](C)CCN1Cc1nc(C(C)(C)C)co1 ZINC000893677978 1121161405 /nfs/dbraw/zinc/16/14/05/1121161405.db2.gz YZIJCIPMXUCTBO-RYUDHWBXSA-N 0 1 250.386 3.593 20 0 CHADMN Clc1ccccc1-c1cc(CN2CC[C@@H]3C[C@@H]3C2)no1 ZINC000661966980 1121166008 /nfs/dbraw/zinc/16/60/08/1121166008.db2.gz MPQBMSDHNBBMSP-VXGBXAGGSA-N 0 1 288.778 3.837 20 0 CHADMN CO[C@@H](CNC1(c2c(F)cccc2F)CCC1)CC(C)C ZINC001175103471 1121165991 /nfs/dbraw/zinc/16/59/91/1121165991.db2.gz KLNVYMFJKWFFRD-CYBMUJFWSA-N 0 1 297.389 3.995 20 0 CHADMN Fc1ccc(CN2CC[C@H](c3ccco3)C2)c(F)c1 ZINC000674694370 1121170168 /nfs/dbraw/zinc/17/01/68/1121170168.db2.gz QNVUIAJWYKYNHM-LBPRGKRZSA-N 0 1 263.287 3.547 20 0 CHADMN CN(Cc1ccoc1)Cc1cccc(OC(F)F)c1 ZINC000050961213 1121171118 /nfs/dbraw/zinc/17/11/18/1121171118.db2.gz GNKDQSHVBFLARZ-UHFFFAOYSA-N 0 1 267.275 3.513 20 0 CHADMN CC[C@@H](NC/C=C/CO)c1ccc(Cl)cc1Cl ZINC000658134009 1121174132 /nfs/dbraw/zinc/17/41/32/1121174132.db2.gz UOBOVZQCFVAGHD-ITDFMYJTSA-N 0 1 274.191 3.583 20 0 CHADMN COc1ccc(CN(C)Cc2c(C)cc(C)cc2C)cn1 ZINC000674751086 1121175559 /nfs/dbraw/zinc/17/55/59/1121175559.db2.gz YTLUGVCRRBACOK-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN COCCN(Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000351586260 1121180166 /nfs/dbraw/zinc/18/01/66/1121180166.db2.gz UQUFBRYYYDSFAE-UHFFFAOYSA-N 0 1 291.341 3.613 20 0 CHADMN C[C@@H]1[C@H](C)OCCN1Cc1ccc(C2CCC2)cc1 ZINC000351599081 1121184800 /nfs/dbraw/zinc/18/48/00/1121184800.db2.gz AVWRUWGBMGVBQB-KGLIPLIRSA-N 0 1 259.393 3.563 20 0 CHADMN O=C([O-])c1ccc(Nc2cccc3cc[nH+]cc32)cc1F ZINC001175158744 1121187820 /nfs/dbraw/zinc/18/78/20/1121187820.db2.gz VPSIOAQXIPERAL-UHFFFAOYSA-N 0 1 282.274 3.816 20 0 CHADMN CCCCCN(c1ccc(N2CCOCC2)cc1)C(C)C ZINC001167874267 1121193752 /nfs/dbraw/zinc/19/37/52/1121193752.db2.gz FCNOMJORIJWCSV-UHFFFAOYSA-N 0 1 290.451 3.928 20 0 CHADMN Cc1noc([C@H](C)N[C@@H](C)CCC2CCCCC2)n1 ZINC000360069597 1121200082 /nfs/dbraw/zinc/20/00/82/1121200082.db2.gz QOPOMUBHSLUNEL-RYUDHWBXSA-N 0 1 265.401 3.778 20 0 CHADMN Cc1ccc(CN2CCO[C@H](c3cccs3)C2)c(C)c1 ZINC000512211770 1121202026 /nfs/dbraw/zinc/20/20/26/1121202026.db2.gz KSMDTXUHILTGBS-INIZCTEOSA-N 0 1 287.428 3.938 20 0 CHADMN Cc1noc(C)c1CNCc1ccc2ccccc2c1 ZINC000063550284 1121203042 /nfs/dbraw/zinc/20/30/42/1121203042.db2.gz GSMHAQVMXRSZPW-UHFFFAOYSA-N 0 1 266.344 3.734 20 0 CHADMN CC/C=C/CCNC(C)(C)c1cc(C(F)(F)F)on1 ZINC000429242224 1121204234 /nfs/dbraw/zinc/20/42/34/1121204234.db2.gz QQSWXLFEZYRDRF-AATRIKPKSA-N 0 1 276.302 3.874 20 0 CHADMN CCOc1ccc(-n2c(N)nc3c2cccc3C)cc1C ZINC001175166883 1121212899 /nfs/dbraw/zinc/21/28/99/1121212899.db2.gz UJGCQMWLMAVKSZ-UHFFFAOYSA-N 0 1 281.359 3.623 20 0 CHADMN CCOc1cc(Nc2noc(C(C)(C)C)n2)c(F)cc1F ZINC001212528918 1121213966 /nfs/dbraw/zinc/21/39/66/1121213966.db2.gz UYBSIQXBKZEGCI-UHFFFAOYSA-N 0 1 297.305 3.788 20 0 CHADMN CCc1noc(C)c1CNC1(c2ccc(F)cc2)CCC1 ZINC000675123806 1121217776 /nfs/dbraw/zinc/21/77/76/1121217776.db2.gz OMVGCAVJFUUMQR-UHFFFAOYSA-N 0 1 288.366 3.854 20 0 CHADMN CC(C)C1CCC(N(C)C(=O)c2[nH]nc3ccccc32)CC1 ZINC000432579094 1121221950 /nfs/dbraw/zinc/22/19/50/1121221950.db2.gz IWCPFOUSOOJVDJ-UHFFFAOYSA-N 0 1 299.418 3.850 20 0 CHADMN CCCCCNC(=O)CN([C@H](C)c1ccccc1)C1CC1 ZINC000512243718 1121222337 /nfs/dbraw/zinc/22/23/37/1121222337.db2.gz KOLRZZNZNPUTON-OAHLLOKOSA-N 0 1 288.435 3.518 20 0 CHADMN CCc1ccc(C)[nH+]c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175215025 1121226491 /nfs/dbraw/zinc/22/64/91/1121226491.db2.gz FVDKLEJBXNFGSU-UHFFFAOYSA-N 0 1 274.295 3.533 20 0 CHADMN CC(C)CC1(CNCc2ncc(Cl)s2)CC1 ZINC000336656471 1121231944 /nfs/dbraw/zinc/23/19/44/1121231944.db2.gz HYJRCTYHZJJEKO-UHFFFAOYSA-N 0 1 258.818 3.712 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CC[C@H]2COC[C@H]2C1 ZINC000662030112 1121235274 /nfs/dbraw/zinc/23/52/74/1121235274.db2.gz DBWRYDGZZZQPGR-GRYCIOLGSA-N 0 1 283.774 3.508 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CC[C@@H]2COC[C@H]2C1 ZINC000662030115 1121236741 /nfs/dbraw/zinc/23/67/41/1121236741.db2.gz DBWRYDGZZZQPGR-IJLUTSLNSA-N 0 1 283.774 3.508 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cncn2C(C)C)cc1F ZINC000094952625 1121247833 /nfs/dbraw/zinc/24/78/33/1121247833.db2.gz VNRSZDUGXYKWNF-CYBMUJFWSA-N 0 1 275.371 3.762 20 0 CHADMN Cc1ccc(O)c(CNC2(c3ccc(Cl)cc3)CC2)n1 ZINC000112204037 1121251640 /nfs/dbraw/zinc/25/16/40/1121251640.db2.gz UZXOBOVPFXQFKP-UHFFFAOYSA-N 0 1 288.778 3.528 20 0 CHADMN CN(Cc1ncc(C(C)(C)C)o1)[C@@H]1CCc2ccccc2C1 ZINC000512318252 1121258782 /nfs/dbraw/zinc/25/87/82/1121258782.db2.gz MJPTZDUDSOYBSL-MRXNPFEDSA-N 0 1 298.430 3.961 20 0 CHADMN CC[C@@H](NCc1c(C2CCC2)cnn1C)c1ccsc1 ZINC000658266455 1121265047 /nfs/dbraw/zinc/26/50/47/1121265047.db2.gz IMXWVEUVNLYDIK-OAHLLOKOSA-N 0 1 289.448 3.990 20 0 CHADMN CCc1nc(C)c(CNCc2c(C)cc(C)cc2C)o1 ZINC000291717080 1121270518 /nfs/dbraw/zinc/27/05/18/1121270518.db2.gz MDXYNVXAQJQKJX-UHFFFAOYSA-N 0 1 272.392 3.760 20 0 CHADMN CCCc1cc(C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)n[nH]1 ZINC000619198395 1128974209 /nfs/dbraw/zinc/97/42/09/1128974209.db2.gz OCRHQNVRBLGFOP-INIZCTEOSA-N 0 1 297.402 3.586 20 0 CHADMN C=Cn1cc(CN[C@]2(c3cccc(C)c3)C[C@@H]2CC)cn1 ZINC000500513769 1121293573 /nfs/dbraw/zinc/29/35/73/1121293573.db2.gz OGASHPRPTXPHGT-FUHWJXTLSA-N 0 1 281.403 3.707 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1nc2ccc(F)cc2s1 ZINC000432732750 1121299977 /nfs/dbraw/zinc/29/99/77/1121299977.db2.gz XJYXWHZKBSBVKE-NXEZZACHSA-N 0 1 264.369 3.808 20 0 CHADMN CCCCOc1ccc(F)cc1Nc1ccncc1 ZINC001211717463 1121300643 /nfs/dbraw/zinc/30/06/43/1121300643.db2.gz ZYRKPKJHEWWQHK-UHFFFAOYSA-N 0 1 260.312 3.565 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1nc2ccc(F)cc2s1 ZINC000432732749 1121300763 /nfs/dbraw/zinc/30/07/63/1121300763.db2.gz XJYXWHZKBSBVKE-AOOOYVTPSA-N 0 1 264.369 3.808 20 0 CHADMN CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc2ccccc21 ZINC000675459231 1121303734 /nfs/dbraw/zinc/30/37/34/1121303734.db2.gz OXFWGZPHTCHTHP-WMLDXEAASA-N 0 1 269.388 3.839 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1cccs1)c1ccc(F)cc1F ZINC000766138278 1121310388 /nfs/dbraw/zinc/31/03/88/1121310388.db2.gz VYMODMWVBJBSHP-YGRLFVJLSA-N 0 1 297.370 3.801 20 0 CHADMN C[C@@H](N[C@H](CCO)c1cccs1)c1ccc(F)cc1F ZINC000766138276 1121310612 /nfs/dbraw/zinc/31/06/12/1121310612.db2.gz VYMODMWVBJBSHP-QMTHXVAHSA-N 0 1 297.370 3.801 20 0 CHADMN Cc1c(C2CC2)cccc1-n1c(N)nc2ccccc21 ZINC001213470721 1121311171 /nfs/dbraw/zinc/31/11/71/1121311171.db2.gz HSBQSYOYXQWOTN-UHFFFAOYSA-N 0 1 263.344 3.794 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2N[C@H](c1nccn1C)C1CC1 ZINC000658336829 1121313267 /nfs/dbraw/zinc/31/32/67/1121313267.db2.gz BUOFCWKVMMTALM-ROUUACIJSA-N 0 1 295.430 3.847 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCN1Cc1ccc(C(F)(F)F)s1 ZINC000432752361 1121317086 /nfs/dbraw/zinc/31/70/86/1121317086.db2.gz LFHUONILGKBAAB-ZJUUUORDSA-N 0 1 293.354 3.502 20 0 CHADMN COc1cc([C@H](C)N[C@@H](CC2CC2)c2ccccc2)on1 ZINC000925866878 1121318953 /nfs/dbraw/zinc/31/89/53/1121318953.db2.gz ZXKUVVPQAXOCNG-WFASDCNBSA-N 0 1 286.375 3.875 20 0 CHADMN CN(Cc1cocn1)C1CCC(C(C)(C)C)CC1 ZINC000432750037 1121320120 /nfs/dbraw/zinc/32/01/20/1121320120.db2.gz XEDMPBAJJKLOBI-UHFFFAOYSA-N 0 1 250.386 3.711 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccncc2Cl)c1C ZINC000658347053 1121320693 /nfs/dbraw/zinc/32/06/93/1121320693.db2.gz XRYLESFPWKVUHJ-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN c1ncc(Nc2cc(CCc3ccccc3)no2)s1 ZINC001175495827 1121343011 /nfs/dbraw/zinc/34/30/11/1121343011.db2.gz NNMNNUYZVPPKGP-UHFFFAOYSA-N 0 1 271.345 3.660 20 0 CHADMN COc1ncc(CN2CCC[C@H]2c2cccc(C)c2)s1 ZINC001139815112 1121343796 /nfs/dbraw/zinc/34/37/96/1121343796.db2.gz WGXRBHGPUYHXHH-HNNXBMFYSA-N 0 1 288.416 3.797 20 0 CHADMN COc1ccc(OC)c(CN[C@@H]2CCc3ccc(C)cc32)c1 ZINC000675736081 1121346759 /nfs/dbraw/zinc/34/67/59/1121346759.db2.gz ZVWMIPCVUMBIOR-GOSISDBHSA-N 0 1 297.398 3.789 20 0 CHADMN Fc1cccc(F)c1CN(CCC1CCOCC1)C1CC1 ZINC000432783679 1121347421 /nfs/dbraw/zinc/34/74/21/1121347421.db2.gz CNKLMEPRLPSSSN-UHFFFAOYSA-N 0 1 295.373 3.746 20 0 CHADMN Fc1cccc(CN2CCCC3(CC3)C2)c1Cl ZINC000339097562 1121349512 /nfs/dbraw/zinc/34/95/12/1121349512.db2.gz PWIWOVZKSIKARV-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN CCCC[C@@H](C)N(CCCC)C(=O)CCc1cnc[nH]1 ZINC000294068349 1121350076 /nfs/dbraw/zinc/35/00/76/1121350076.db2.gz MOXHEJXFXUBBPN-CQSZACIVSA-N 0 1 279.428 3.550 20 0 CHADMN CC(C)Oc1ncccc1CN[C@@H]1c2ccccc2C[C@@H]1C ZINC000675750711 1121349723 /nfs/dbraw/zinc/34/97/23/1121349723.db2.gz QCCJVIMPBMCXGS-KSSFIOAISA-N 0 1 296.414 3.892 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1ccoc1C ZINC000675780286 1121356493 /nfs/dbraw/zinc/35/64/93/1121356493.db2.gz VZONPBFBALVCAR-LBPRGKRZSA-N 0 1 259.349 3.756 20 0 CHADMN C[C@H](N[C@H]1CSCc2ccccc21)c1cncs1 ZINC000675782499 1121361347 /nfs/dbraw/zinc/36/13/47/1121361347.db2.gz HHOJMOHZZZPCFT-GWCFXTLKSA-N 0 1 276.430 3.782 20 0 CHADMN Cc1cn2cc(Nc3c4c[nH]nc4ccc3C)ccc2[nH+]1 ZINC001175523729 1121363664 /nfs/dbraw/zinc/36/36/64/1121363664.db2.gz LHYMOKNKUUFYEY-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2c1CCC2=O ZINC001175525468 1121365711 /nfs/dbraw/zinc/36/57/11/1121365711.db2.gz DELXBJHZFHETMW-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ncnc2sccc21 ZINC001175526029 1121367780 /nfs/dbraw/zinc/36/77/80/1121367780.db2.gz RJBWKJDRZGXUKA-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCc3occc32)c(F)c1 ZINC000631040058 1128980875 /nfs/dbraw/zinc/98/08/75/1128980875.db2.gz OIBHUQZWROGWGO-OAHLLOKOSA-N 0 1 259.324 3.894 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(F)c(F)c1O ZINC001175526908 1121367993 /nfs/dbraw/zinc/36/79/93/1121367993.db2.gz AMGUELDPXKUCPL-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN CC(=O)c1cccc(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175526026 1121368221 /nfs/dbraw/zinc/36/82/21/1121368221.db2.gz MZVJBFIQQALQIZ-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN COc1c(F)cc(Nc2c3cn[nH]c3ccc2C)cc1F ZINC001175526744 1121369235 /nfs/dbraw/zinc/36/92/35/1121369235.db2.gz RLZXFBWVESYDAZ-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1nn(C)c2ccc(Nc3c4cn[nH]c4ccc3C)cc12 ZINC001175526819 1121369578 /nfs/dbraw/zinc/36/95/78/1121369578.db2.gz VWSIMMQGJGDQFH-UHFFFAOYSA-N 0 1 291.358 3.810 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2c(c1C)OCCO2 ZINC001175527567 1121369928 /nfs/dbraw/zinc/36/99/28/1121369928.db2.gz PCFRUVVPQMAMEC-UHFFFAOYSA-N 0 1 295.342 3.695 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(N)cc(Cl)c1 ZINC001175527749 1121371000 /nfs/dbraw/zinc/37/10/00/1121371000.db2.gz TYYSWDSLZULUCZ-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN C[C@@H](CF)NCc1ccccc1OCc1ccccc1 ZINC000644892775 1121376383 /nfs/dbraw/zinc/37/63/83/1121376383.db2.gz VRAFBIYRBZJTKJ-AWEZNQCLSA-N 0 1 273.351 3.713 20 0 CHADMN c1nnc([C@@H](Nc2ccc(C3CC3)cc2)c2ccccc2)[nH]1 ZINC000675899212 1121377521 /nfs/dbraw/zinc/37/75/21/1121377521.db2.gz NAICRJPVWGGPDD-KRWDZBQOSA-N 0 1 290.370 3.884 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)o1 ZINC000675881699 1121379423 /nfs/dbraw/zinc/37/94/23/1121379423.db2.gz MRBCKUDUQFLOFM-QWRGUYRKSA-N 0 1 299.374 3.836 20 0 CHADMN CCOc1ccccc1CCNCc1ncc(Cl)s1 ZINC000349671459 1121379663 /nfs/dbraw/zinc/37/96/63/1121379663.db2.gz SZBFNODVMQVKAH-UHFFFAOYSA-N 0 1 296.823 3.528 20 0 CHADMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)C1CC1 ZINC000432821022 1121386639 /nfs/dbraw/zinc/38/66/39/1121386639.db2.gz VJOAWFQSMXYUQI-NWDGAFQWSA-N 0 1 278.444 3.501 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1nnc(C(C)(C)C)[nH]1)C1CC1 ZINC000432821022 1121386647 /nfs/dbraw/zinc/38/66/47/1121386647.db2.gz VJOAWFQSMXYUQI-NWDGAFQWSA-N 0 1 278.444 3.501 20 0 CHADMN Fc1ccc(CN[C@@H](CC2CC2)c2ccccc2)nc1 ZINC000675939223 1121388056 /nfs/dbraw/zinc/38/80/56/1121388056.db2.gz YFXAFDQMLCVWKM-KRWDZBQOSA-N 0 1 270.351 3.852 20 0 CHADMN COc1ccc(Br)c(CN2CCC(C)CC2)c1 ZINC000087797743 1121390744 /nfs/dbraw/zinc/39/07/44/1121390744.db2.gz HHOMDXHTFVOQMT-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN CN(c1nc(CN2C3CCCC2CCC3)cs1)C1CC1 ZINC000675966049 1121392786 /nfs/dbraw/zinc/39/27/86/1121392786.db2.gz GYWIGHHMHJPUHT-UHFFFAOYSA-N 0 1 291.464 3.649 20 0 CHADMN Cc1ccc(CN(C)CCOc2ccccc2Cl)cn1 ZINC000360986741 1121394335 /nfs/dbraw/zinc/39/43/35/1121394335.db2.gz LWFTUKKLVFGNFI-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN C[C@@H]1CN(CC2(C)CCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000432828527 1121394566 /nfs/dbraw/zinc/39/45/66/1121394566.db2.gz KYADRXOUAVCERF-CJNGLKHVSA-N 0 1 277.383 3.778 20 0 CHADMN C[C@H](NCc1ccc(C(F)F)nc1)c1cccc(O)c1 ZINC000631065403 1128982715 /nfs/dbraw/zinc/98/27/15/1128982715.db2.gz RFEZUMQHRFRHIM-JTQLQIEISA-N 0 1 278.302 3.576 20 0 CHADMN CC(C)CC[C@@H]1CCCN1Cc1nc2ccccc2c(=O)[nH]1 ZINC000676041403 1121398915 /nfs/dbraw/zinc/39/89/15/1121398915.db2.gz DYZLROQPIXHFCG-AWEZNQCLSA-N 0 1 299.418 3.736 20 0 CHADMN Fc1ccc(C2(NCc3ccnn3CC3CCC3)CC2)cc1 ZINC000631066427 1128982881 /nfs/dbraw/zinc/98/28/81/1128982881.db2.gz YGAGHXVKAPNSEA-UHFFFAOYSA-N 0 1 299.393 3.601 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccc(C(F)F)nc1)CC2 ZINC000631067076 1128982928 /nfs/dbraw/zinc/98/29/28/1128982928.db2.gz HBWRQGAZZXJRDU-CQSZACIVSA-N 0 1 292.304 3.935 20 0 CHADMN COCc1cc(CNCc2ccc(C)cc2F)ccc1F ZINC000631067911 1128982996 /nfs/dbraw/zinc/98/29/96/1128982996.db2.gz AOYRZNVJPIQDGL-UHFFFAOYSA-N 0 1 291.341 3.709 20 0 CHADMN CC(C)n1cc([C@H](C)NCc2ccc(C(F)F)nc2)cn1 ZINC000631072513 1128983120 /nfs/dbraw/zinc/98/31/20/1128983120.db2.gz WJAYVJRAEAJJNT-NSHDSACASA-N 0 1 294.349 3.647 20 0 CHADMN Fc1ccc(F)c(CNCC2SCCS2)c1Cl ZINC000705557576 1121406290 /nfs/dbraw/zinc/40/62/90/1121406290.db2.gz WIWCGEFOUCKFEU-UHFFFAOYSA-N 0 1 295.807 3.514 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(Cl)ncc3F)cc12 ZINC001175695477 1121414467 /nfs/dbraw/zinc/41/44/67/1121414467.db2.gz IWRWPAPNFAAVHX-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(C)cc(Cl)n3)cc12 ZINC001175694596 1121414492 /nfs/dbraw/zinc/41/44/92/1121414492.db2.gz SPUKMHQUJYGWQK-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1[nH]nc2ccc(Nc3nc4c(s3)CCC4)cc21 ZINC001175692862 1121414586 /nfs/dbraw/zinc/41/45/86/1121414586.db2.gz NMNAAHHMCAXHQU-UHFFFAOYSA-N 0 1 270.361 3.560 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(C(C)(C)C)nn3C)cc12 ZINC001175693478 1121414605 /nfs/dbraw/zinc/41/46/05/1121414605.db2.gz AHBKTGUCZJJQCP-UHFFFAOYSA-N 0 1 283.379 3.646 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(C(C)C)no3)cc12 ZINC001175692889 1121414984 /nfs/dbraw/zinc/41/49/84/1121414984.db2.gz OSEJCPLGEVKAQQ-UHFFFAOYSA-N 0 1 256.309 3.726 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccnc3OC(F)F)cc12 ZINC001175693727 1121415203 /nfs/dbraw/zinc/41/52/03/1121415203.db2.gz JBMZAHVCLRYRPB-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1[nH]nc2ccc(Nc3nc(C)nc4sccc43)cc12 ZINC001175692878 1121415362 /nfs/dbraw/zinc/41/53/62/1121415362.db2.gz OHENCVPDDNNRRG-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN Cc1[nH]nc2ccc(Nc3nc4ccccc4n3C)cc21 ZINC001175693091 1121415397 /nfs/dbraw/zinc/41/53/97/1121415397.db2.gz ZBTQBVCSIMTATL-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1scc(CNCc2nc3ccc(C)cc3[nH]2)c1C ZINC000631083920 1128983957 /nfs/dbraw/zinc/98/39/57/1128983957.db2.gz VDBSEMODJUUPNF-UHFFFAOYSA-N 0 1 285.416 3.839 20 0 CHADMN Cc1[nH]nc2ccc(Nc3c(C)ccnc3Cl)cc12 ZINC001175695695 1121416433 /nfs/dbraw/zinc/41/64/33/1121416433.db2.gz MIBXCLMGXTZQDT-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1[nH]nc2ccc(Nc3c(Cl)ncc(C)c3N)cc12 ZINC001175699209 1121416666 /nfs/dbraw/zinc/41/66/66/1121416666.db2.gz MJTZNVSUTGSNID-UHFFFAOYSA-N 0 1 287.754 3.554 20 0 CHADMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccc2ccccc2c1 ZINC000662228342 1121416728 /nfs/dbraw/zinc/41/67/28/1121416728.db2.gz YFFHPKCLLHRPNV-UHFFFAOYSA-N 0 1 285.387 3.773 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(C4CCC4)nn3C)cc12 ZINC001175699246 1121416716 /nfs/dbraw/zinc/41/67/16/1121416716.db2.gz OFSCHJLJUXXLRC-UHFFFAOYSA-N 0 1 281.363 3.616 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(OCC4CC4)nc3)cc21 ZINC001175698629 1121416752 /nfs/dbraw/zinc/41/67/52/1121416752.db2.gz CITWSXQCNVBKSW-UHFFFAOYSA-N 0 1 294.358 3.799 20 0 CHADMN Cc1cnn(CC2CCC2)c1Nc1ccc2n[nH]c(C)c2c1 ZINC001175698651 1121416852 /nfs/dbraw/zinc/41/68/52/1121416852.db2.gz DIXHNSJHEPMEOI-UHFFFAOYSA-N 0 1 295.390 3.920 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(Cl)nc3)cc12 ZINC001175696130 1121417009 /nfs/dbraw/zinc/41/70/09/1121417009.db2.gz TZRCPFKNUQYKOI-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@H]1C(=O)[O-] ZINC000314160015 1121417555 /nfs/dbraw/zinc/41/75/55/1121417555.db2.gz OTSTUQDQHZONOO-XJKSGUPXSA-N 0 1 289.419 3.527 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4cnn(C)c43)cc12 ZINC001175699702 1121417680 /nfs/dbraw/zinc/41/76/80/1121417680.db2.gz BTBQIOLNIWTZDR-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(C)cc(C)c3N)cc12 ZINC001175699823 1121417905 /nfs/dbraw/zinc/41/79/05/1121417905.db2.gz SMEFZYWHQCHDEN-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN COc1cccc(Nc2ccc3n[nH]c(C)c3c2)c1F ZINC001175700842 1121418991 /nfs/dbraw/zinc/41/89/91/1121418991.db2.gz ZWNADLFBCPXJTN-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4ncncc4c3)cc21 ZINC001175701745 1121419939 /nfs/dbraw/zinc/41/99/39/1121419939.db2.gz GIFAVWFRXDGVGN-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(N)cc(Cl)c3)cc12 ZINC001175702453 1121420713 /nfs/dbraw/zinc/42/07/13/1121420713.db2.gz PQBBBBXTBBJAFG-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc4snnc4c(C)c3)cc21 ZINC001175702648 1121421104 /nfs/dbraw/zinc/42/11/04/1121421104.db2.gz RXXGOMFDCKOLJX-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4c3C(=O)CC4)cc12 ZINC001175702657 1121421130 /nfs/dbraw/zinc/42/11/30/1121421130.db2.gz SKESRDDCADKXHD-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(C(C)(C)C)no3)ccc12 ZINC001175658924 1121423579 /nfs/dbraw/zinc/42/35/79/1121423579.db2.gz AYGQFDITHMIVQR-UHFFFAOYSA-N 0 1 270.336 3.900 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(Cl)nc3)ccc12 ZINC001175659270 1121423650 /nfs/dbraw/zinc/42/36/50/1121423650.db2.gz JOCBTVKYYMXUSO-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1[nH]nc2cc(Nc3cnc(C4CC4)s3)ccc12 ZINC001175660162 1121424196 /nfs/dbraw/zinc/42/41/96/1121424196.db2.gz LGOWRUPKKSZZMQ-UHFFFAOYSA-N 0 1 270.361 3.949 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccccc3-n3cccn3)ccc12 ZINC001175661222 1121424500 /nfs/dbraw/zinc/42/45/00/1121424500.db2.gz FSGQNXFDFQDHBN-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN CC(=O)Nc1ccccc1Nc1ccc2c(C)[nH]nc2c1 ZINC001175662505 1121426314 /nfs/dbraw/zinc/42/63/14/1121426314.db2.gz PNMZQUQXOVDHGH-UHFFFAOYSA-N 0 1 280.331 3.573 20 0 CHADMN COc1cc(C)cc(Nc2ccc3c(c2)n[nH]c3C)c1 ZINC001175662487 1121426508 /nfs/dbraw/zinc/42/65/08/1121426508.db2.gz OMFWVSATUBJJJQ-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(F)cc(C)c3O)ccc12 ZINC001175663280 1121427247 /nfs/dbraw/zinc/42/72/47/1121427247.db2.gz WZUOEKXFMLUJIT-UHFFFAOYSA-N 0 1 271.295 3.768 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4cnoc43)ccc12 ZINC001175665773 1121427350 /nfs/dbraw/zinc/42/73/50/1121427350.db2.gz QRBVQATWRUTDLO-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN C=CC(=O)Nc1cccc(Nc2ccc3c(C)[nH]nc3c2)c1 ZINC001175663618 1121427356 /nfs/dbraw/zinc/42/73/56/1121427356.db2.gz KBLYUYKWPXZMGS-UHFFFAOYSA-N 0 1 292.342 3.739 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4oc(=O)ccc4c3)ccc12 ZINC001175666560 1121428721 /nfs/dbraw/zinc/42/87/21/1121428721.db2.gz ZKBRERPYXRFSON-UHFFFAOYSA-N 0 1 291.310 3.721 20 0 CHADMN CCc1ccc(C)nc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175692736 1121435093 /nfs/dbraw/zinc/43/50/93/1121435093.db2.gz HZJNRBGJYNHPBI-UHFFFAOYSA-N 0 1 266.348 3.881 20 0 CHADMN CCCCn1cc(CNCc2csc(C)c2C)c(C)n1 ZINC000631107117 1128985121 /nfs/dbraw/zinc/98/51/21/1128985121.db2.gz ZPTCLDZPYVWVOE-UHFFFAOYSA-N 0 1 291.464 3.960 20 0 CHADMN Cc1nc([C@@H](C)NCCN(C)c2ccccc2)c(C)s1 ZINC000676488158 1121437908 /nfs/dbraw/zinc/43/79/08/1121437908.db2.gz DHPCFVSYJONXLO-GFCCVEGCSA-N 0 1 289.448 3.547 20 0 CHADMN Cc1noc2ncc(CN3CCC[C@H]3c3cccs3)cc12 ZINC000893905307 1121438159 /nfs/dbraw/zinc/43/81/59/1121438159.db2.gz KVGXKNNMEAFYCV-AWEZNQCLSA-N 0 1 299.399 3.930 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1nc(C)sc1C)c1ccccc1 ZINC000676488826 1121439693 /nfs/dbraw/zinc/43/96/93/1121439693.db2.gz HDVJXQCIOCGLNT-NHYWBVRUSA-N 0 1 290.432 3.798 20 0 CHADMN Cc1cc(F)cc([C@@]2(F)CCN([C@@H]3CCO[C@H](C)C3)C2)c1 ZINC000420967108 1121440615 /nfs/dbraw/zinc/44/06/15/1121440615.db2.gz SOGNKZUSQWEZOO-KBRIMQKVSA-N 0 1 295.373 3.572 20 0 CHADMN COc1cccc([C@H](C)N(C)Cc2ccc(C)cn2)c1 ZINC000676557338 1121443952 /nfs/dbraw/zinc/44/39/52/1121443952.db2.gz SDBSBGLSWFVDLS-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C)cn1 ZINC000676591286 1121447124 /nfs/dbraw/zinc/44/71/24/1121447124.db2.gz QFWIVESFDSCEGL-GOSISDBHSA-N 0 1 266.388 3.899 20 0 CHADMN COc1cc(Nc2ccc3ccncc3c2)ncc1C ZINC001175705061 1121449076 /nfs/dbraw/zinc/44/90/76/1121449076.db2.gz OUBARUUBRHEFCT-UHFFFAOYSA-N 0 1 265.316 3.690 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2cccc3c2NCCC3)on1 ZINC000893994877 1121449141 /nfs/dbraw/zinc/44/91/41/1121449141.db2.gz LJILOVXCQJIXGD-INIZCTEOSA-N 0 1 297.402 3.678 20 0 CHADMN FC(F)(F)c1cc2ncc(N=C3CCCCC3)cn2n1 ZINC001175752020 1121449778 /nfs/dbraw/zinc/44/97/78/1121449778.db2.gz IEYABBWDHXAXAW-UHFFFAOYSA-N 0 1 282.269 3.618 20 0 CHADMN Fc1ccc(/C=C\CNCc2ccc(Cl)o2)cc1 ZINC000676642176 1121452091 /nfs/dbraw/zinc/45/20/91/1121452091.db2.gz PFEJVURFGUNVBB-UPHRSURJSA-N 0 1 265.715 3.875 20 0 CHADMN COc1cccc(CN2CCOc3ccccc3[C@H]2C)c1 ZINC000676675164 1121455451 /nfs/dbraw/zinc/45/54/51/1121455451.db2.gz AESBMUWOHLONEH-CQSZACIVSA-N 0 1 283.371 3.651 20 0 CHADMN Cc1cscc1Nc1ccccc1N1CCN(C)CC1 ZINC001175766073 1121458570 /nfs/dbraw/zinc/45/85/70/1121458570.db2.gz WDGCYLKKWPPOBC-UHFFFAOYSA-N 0 1 287.432 3.552 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cnn(C)c2C2CC2)c1 ZINC000894030370 1121458924 /nfs/dbraw/zinc/45/89/24/1121458924.db2.gz SAJNOULNJVVRLZ-UHFFFAOYSA-N 0 1 283.419 3.546 20 0 CHADMN CSc1ccc(CN2CCC(C3CCOCC3)CC2)o1 ZINC000894064318 1121463228 /nfs/dbraw/zinc/46/32/28/1121463228.db2.gz IPNVWJKLYJCNCU-UHFFFAOYSA-N 0 1 295.448 3.640 20 0 CHADMN O=C([O-])c1csc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1 ZINC000708863477 1121466357 /nfs/dbraw/zinc/46/63/57/1121466357.db2.gz WHLXNYJLCZCCMM-CYBMUJFWSA-N 0 1 293.432 3.849 20 0 CHADMN C[C@H](C[N@@H+](CC(=O)[O-])Cc1ccccc1)CC(C)(C)C ZINC000709130740 1121468522 /nfs/dbraw/zinc/46/85/22/1121468522.db2.gz WFKSCVPZCZCRHX-AWEZNQCLSA-N 0 1 277.408 3.646 20 0 CHADMN CC(C)C[C@H](N[C@H](C)c1cn(C)cn1)c1ccccc1 ZINC000709921114 1121472265 /nfs/dbraw/zinc/47/22/65/1121472265.db2.gz SWVLFQMRGUPRPK-ZBFHGGJFSA-N 0 1 271.408 3.858 20 0 CHADMN C[C@@H](NCc1ccc(C(C)(C)C)cc1)c1cn(C)cn1 ZINC000710145109 1121473327 /nfs/dbraw/zinc/47/33/27/1121473327.db2.gz FLALFAVRMYGITA-CYBMUJFWSA-N 0 1 271.408 3.568 20 0 CHADMN C[C@H]1c2ccc(F)cc2CCN1C[C@H]1CC2(CCC2)CO1 ZINC001175883167 1121476558 /nfs/dbraw/zinc/47/65/58/1121476558.db2.gz RBHZSYJUKYXGNW-XJKSGUPXSA-N 0 1 289.394 3.704 20 0 CHADMN COc1cc(CN2CCC[C@@H](C)[C@H]2C)cc(Cl)c1OC ZINC000512583541 1121482478 /nfs/dbraw/zinc/48/24/78/1121482478.db2.gz SWULXMOWGSXJBM-VXGBXAGGSA-N 0 1 297.826 3.978 20 0 CHADMN CC(C)c1ccc(C[C@H]2CCN(Cc3cocn3)C2)cc1 ZINC000432924781 1121482756 /nfs/dbraw/zinc/48/27/56/1121482756.db2.gz NSENVRHGRRFQCP-MRXNPFEDSA-N 0 1 284.403 3.863 20 0 CHADMN COC(=O)c1cc([C@@H](C)N(C)Cc2ccccc2)oc1C ZINC000432937652 1121488728 /nfs/dbraw/zinc/48/87/28/1121488728.db2.gz LLKYNNXKXQCVGV-GFCCVEGCSA-N 0 1 287.359 3.568 20 0 CHADMN CC(C)(C)c1csc(CN2CC[C@H]3CC[C@@H](C2)S3)n1 ZINC000625775083 1121493909 /nfs/dbraw/zinc/49/39/09/1121493909.db2.gz WRDBMIJVMLNJEO-NEPJUHHUSA-N 0 1 296.505 3.911 20 0 CHADMN Cc1ccc([C@@H](NCc2scnc2C)C2CCC2)o1 ZINC000543592432 1121494747 /nfs/dbraw/zinc/49/47/47/1121494747.db2.gz DAQIASGNXWWOGY-HNNXBMFYSA-N 0 1 276.405 3.984 20 0 CHADMN CC(C)Cc1ccc(CNCc2cc(C3CC3)nn2C)cc1 ZINC000922947362 1121496257 /nfs/dbraw/zinc/49/62/57/1121496257.db2.gz HUMZTIZRBSZODI-UHFFFAOYSA-N 0 1 297.446 3.786 20 0 CHADMN CCOC(=O)C(CC)(CC)NC[C@H]1CCCC(F)(F)C1 ZINC000429274836 1121499829 /nfs/dbraw/zinc/49/98/29/1121499829.db2.gz ALBWBJOYFLAWPZ-LBPRGKRZSA-N 0 1 291.382 3.523 20 0 CHADMN CSC[C@H]1CCCN(Cc2nc(C3CC3)cs2)C1 ZINC000429275308 1121500697 /nfs/dbraw/zinc/50/06/97/1121500697.db2.gz BSCWSYOTDLOPIP-NSHDSACASA-N 0 1 282.478 3.596 20 0 CHADMN CCc1onc(C)c1CNCc1cc(F)cc2cccnc21 ZINC000922983776 1121503765 /nfs/dbraw/zinc/50/37/65/1121503765.db2.gz QIOBNDNICGOYFP-UHFFFAOYSA-N 0 1 299.349 3.523 20 0 CHADMN C[C@@H](NCc1cccnc1)c1cc(Cl)cc2c1OCC2 ZINC000922986725 1121504537 /nfs/dbraw/zinc/50/45/37/1121504537.db2.gz KMUAUYFMRHBNKY-LLVKDONJSA-N 0 1 288.778 3.521 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cncc(C)c2)c1 ZINC000429287242 1121509471 /nfs/dbraw/zinc/50/94/71/1121509471.db2.gz LXAIAHYOLZBCON-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccccc1C1CC1 ZINC000316688910 1121511239 /nfs/dbraw/zinc/51/12/39/1121511239.db2.gz GGBXDUSJGUVXBR-OLMNPRSZSA-N 0 1 299.414 3.782 20 0 CHADMN C[C@@]1(NCc2ccsc2)CCOc2ccccc21 ZINC000923025707 1121513545 /nfs/dbraw/zinc/51/35/45/1121513545.db2.gz NSFGVFJHXAYJDW-OAHLLOKOSA-N 0 1 259.374 3.536 20 0 CHADMN CCCc1cc(=O)n(-c2nc(-c3ccccc3)cs2)[nH]1 ZINC000614185334 1121515560 /nfs/dbraw/zinc/51/55/60/1121515560.db2.gz KIKDQZNIHSFKOV-UHFFFAOYSA-N 0 1 285.372 3.703 20 0 CHADMN c1c(Nc2ccc3nn[nH]c3c2)onc1C1CCCCC1 ZINC001175995650 1121515975 /nfs/dbraw/zinc/51/59/75/1121515975.db2.gz GKPWSCIDYCOHDA-UHFFFAOYSA-N 0 1 283.335 3.737 20 0 CHADMN c1c(Nc2ccc3n[nH]nc3c2)onc1C1CCCCC1 ZINC001175995650 1121515978 /nfs/dbraw/zinc/51/59/78/1121515978.db2.gz GKPWSCIDYCOHDA-UHFFFAOYSA-N 0 1 283.335 3.737 20 0 CHADMN COc1cc(C)nc(CN(C)Cc2cc(C)ccc2C)c1 ZINC000429294777 1121516169 /nfs/dbraw/zinc/51/61/69/1121516169.db2.gz OWXZVOGFKISDSO-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN O=C1[C@@H]2CCCCCC2=NN1c1cccc2ncccc21 ZINC000614186794 1121516298 /nfs/dbraw/zinc/51/62/98/1121516298.db2.gz JBSYXRJLKVYDOE-CYBMUJFWSA-N 0 1 279.343 3.518 20 0 CHADMN O=c1c2c([nH]n1-c1cccc3ncccc31)CCCCC2 ZINC000614186794 1121516304 /nfs/dbraw/zinc/51/63/04/1121516304.db2.gz JBSYXRJLKVYDOE-CYBMUJFWSA-N 0 1 279.343 3.518 20 0 CHADMN CCC(CC)n1ccc(CN2CCC[C@H](CSC)C2)n1 ZINC000429295808 1121517031 /nfs/dbraw/zinc/51/70/31/1121517031.db2.gz QOHNDFXUVIBXLV-AWEZNQCLSA-N 0 1 295.496 3.819 20 0 CHADMN Nc1nc2ccccc2n1-c1ccc(F)c2ccccc21 ZINC001175954314 1121517455 /nfs/dbraw/zinc/51/74/55/1121517455.db2.gz KDKBSLVSWBCZCG-UHFFFAOYSA-N 0 1 277.302 3.900 20 0 CHADMN c1cncc(-c2ccc(Nc3ccc4nn[nH]c4c3)cc2)c1 ZINC001176002293 1121519014 /nfs/dbraw/zinc/51/90/14/1121519014.db2.gz KDKMFQUIXHCIOI-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1cncc(-c2ccc(Nc3ccc4n[nH]nc4c3)cc2)c1 ZINC001176002293 1121519021 /nfs/dbraw/zinc/51/90/21/1121519021.db2.gz KDKMFQUIXHCIOI-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1ccc(-c2ccc(Nc3ccc4nn[nH]c4c3)cn2)cc1 ZINC001175996757 1121519095 /nfs/dbraw/zinc/51/90/95/1121519095.db2.gz URUSVYRAWKIXRG-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1ccc(-c2ccc(Nc3ccc4n[nH]nc4c3)cn2)cc1 ZINC001175996757 1121519100 /nfs/dbraw/zinc/51/91/00/1121519100.db2.gz URUSVYRAWKIXRG-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN Clc1ccc2cc(Nc3ccc4nn[nH]c4c3)ccc2n1 ZINC001176001960 1121519224 /nfs/dbraw/zinc/51/92/24/1121519224.db2.gz DTXODWAZAUMODP-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1ccc2cc(Nc3ccc4n[nH]nc4c3)ccc2n1 ZINC001176001960 1121519229 /nfs/dbraw/zinc/51/92/29/1121519229.db2.gz DTXODWAZAUMODP-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Fc1c(Nc2ccc3nn[nH]c3c2)cccc1C(F)(F)F ZINC001176005515 1121521354 /nfs/dbraw/zinc/52/13/54/1121521354.db2.gz GLWXEKWCOCUNDU-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Fc1c(Nc2ccc3n[nH]nc3c2)cccc1C(F)(F)F ZINC001176005515 1121521358 /nfs/dbraw/zinc/52/13/58/1121521358.db2.gz GLWXEKWCOCUNDU-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN O=C1CCCCc2cc(Nc3ccc4nn[nH]c4c3)ccc21 ZINC001176005390 1121522181 /nfs/dbraw/zinc/52/21/81/1121522181.db2.gz YCYBMIYPCDVQOA-UHFFFAOYSA-N 0 1 292.342 3.611 20 0 CHADMN O=C1CCCCc2cc(Nc3ccc4n[nH]nc4c3)ccc21 ZINC001176005390 1121522184 /nfs/dbraw/zinc/52/21/84/1121522184.db2.gz YCYBMIYPCDVQOA-UHFFFAOYSA-N 0 1 292.342 3.611 20 0 CHADMN Fc1ccc(Nc2ccc3nn[nH]c3c2)cc1C(F)(F)F ZINC001176005535 1121522313 /nfs/dbraw/zinc/52/23/13/1121522313.db2.gz HLJVJOFKVQJQOU-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Fc1ccc(Nc2ccc3n[nH]nc3c2)cc1C(F)(F)F ZINC001176005535 1121522320 /nfs/dbraw/zinc/52/23/20/1121522320.db2.gz HLJVJOFKVQJQOU-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN CCCCc1noc([C@H](C)N(CCC)CCC)n1 ZINC000411160510 1121525210 /nfs/dbraw/zinc/52/52/10/1121525210.db2.gz ADQSLUBXQAAFSG-LBPRGKRZSA-N 0 1 253.390 3.595 20 0 CHADMN Cc1ccc(N(Cc2n[nH]c(C(C)(C)C)n2)C2CCC2)cc1 ZINC001176087552 1121535503 /nfs/dbraw/zinc/53/55/03/1121535503.db2.gz QVYMDQVAJWGKJL-UHFFFAOYSA-N 0 1 298.434 3.970 20 0 CHADMN C[C@H](NC[C@H]1CCC2(CCC2)O1)c1c(F)cccc1F ZINC000711470605 1121535642 /nfs/dbraw/zinc/53/56/42/1121535642.db2.gz BHCPVSKLZAPTKI-NWDGAFQWSA-N 0 1 281.346 3.717 20 0 CHADMN Cc1nn(C(C)C)cc1CNCc1csc(C)c1C ZINC000631205581 1128992351 /nfs/dbraw/zinc/99/23/51/1128992351.db2.gz CMCMPNKXJIIIOW-UHFFFAOYSA-N 0 1 277.437 3.741 20 0 CHADMN Cc1ccc(CN2Cc3ccccc3OC3(CCC3)C2)nc1 ZINC001176051895 1121540771 /nfs/dbraw/zinc/54/07/71/1121540771.db2.gz IWIFDXMGXVMXIX-UHFFFAOYSA-N 0 1 294.398 3.707 20 0 CHADMN c1cc2c(cccc2C[N@H+]2CCO[C@@H](C3CCCCC3)C2)[nH]1 ZINC000543638180 1121544236 /nfs/dbraw/zinc/54/42/36/1121544236.db2.gz SPWJEPPHWRJFDA-LJQANCHMSA-N 0 1 298.430 3.949 20 0 CHADMN CC(C)Cc1noc(CN2CCC[C@@H](c3ccccc3)C2)n1 ZINC000433067828 1121547968 /nfs/dbraw/zinc/54/79/68/1121547968.db2.gz MKAHWFLFSMIAIT-MRXNPFEDSA-N 0 1 299.418 3.648 20 0 CHADMN CC(C)CCc1noc(CN2CC[C@@H](CC(C)C)C2)n1 ZINC000466704179 1121555632 /nfs/dbraw/zinc/55/56/32/1121555632.db2.gz BWLYOUWTRONDQX-AWEZNQCLSA-N 0 1 279.428 3.526 20 0 CHADMN CO[C@@H](CNC1(c2nccs2)CCCC1)CC(C)C ZINC000419233853 1121557242 /nfs/dbraw/zinc/55/72/42/1121557242.db2.gz HLMBVEPRDMFOCB-CYBMUJFWSA-N 0 1 282.453 3.563 20 0 CHADMN C[C@@H](F)CCN1CCn2cccc2[C@H]1c1ccccc1 ZINC000509380511 1121561359 /nfs/dbraw/zinc/56/13/59/1121561359.db2.gz UAMDLRPDWLIWMZ-RHSMWYFYSA-N 0 1 272.367 3.641 20 0 CHADMN C[C@H]1CCCC[C@@H]1COc1ccccc1-c1nnc[nH]1 ZINC000663988397 1121563373 /nfs/dbraw/zinc/56/33/73/1121563373.db2.gz GGAFZQPWZOQPGJ-QWHCGFSZSA-N 0 1 271.364 3.677 20 0 CHADMN Cc1ccc(OCC[NH2+]Cc2cccc([O-])c2Cl)cc1 ZINC000645143870 1121566075 /nfs/dbraw/zinc/56/60/75/1121566075.db2.gz NICFUWQGIVAIMF-UHFFFAOYSA-N 0 1 291.778 3.523 20 0 CHADMN Cc1ccc(OCCNCc2cccc(O)c2Cl)cc1 ZINC000645143870 1121566082 /nfs/dbraw/zinc/56/60/82/1121566082.db2.gz NICFUWQGIVAIMF-UHFFFAOYSA-N 0 1 291.778 3.523 20 0 CHADMN CCc1nnc([C@@H](C)N[C@@H](c2cccc(C)c2)C(C)C)[nH]1 ZINC000625984711 1121568777 /nfs/dbraw/zinc/56/87/77/1121568777.db2.gz IYYUZTOXKIKADH-CZUORRHYSA-N 0 1 286.423 3.723 20 0 CHADMN C[C@@H](c1ccco1)N(CCOCC1CCC1)C1CC1 ZINC000419238282 1121570143 /nfs/dbraw/zinc/57/01/43/1121570143.db2.gz MQZWBLAXCYRLMA-ZDUSSCGKSA-N 0 1 263.381 3.622 20 0 CHADMN FC(F)(F)c1ccnnc1N=CCCc1ccccc1 ZINC001176218007 1121576610 /nfs/dbraw/zinc/57/66/10/1121576610.db2.gz RCTOHELXGGTHOO-RUDMXATFSA-N 0 1 279.265 3.664 20 0 CHADMN CC[C@@H](NCc1nccn1C1CC1)c1ccc(C)cc1 ZINC000711798885 1121577521 /nfs/dbraw/zinc/57/75/21/1121577521.db2.gz HRUFDTZMWDEBOT-MRXNPFEDSA-N 0 1 269.392 3.767 20 0 CHADMN CC[C@H]1c2ccsc2CCN1Cc1cccc(O)c1 ZINC000509408649 1121578871 /nfs/dbraw/zinc/57/88/71/1121578871.db2.gz SQNHIQHIRIHTQJ-HNNXBMFYSA-N 0 1 273.401 3.963 20 0 CHADMN Clc1cccc(Nc2ccnn2-c2ccncc2)c1 ZINC001176221785 1121579080 /nfs/dbraw/zinc/57/90/80/1121579080.db2.gz QUVVWHXBUFTJFV-UHFFFAOYSA-N 0 1 270.723 3.664 20 0 CHADMN COc1cccc2c1CN(C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000626023518 1121581328 /nfs/dbraw/zinc/58/13/28/1121581328.db2.gz JQHYFIMGGTVNED-IRXDYDNUSA-N 0 1 279.383 3.815 20 0 CHADMN CC1=CCN(Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411406824 1121581380 /nfs/dbraw/zinc/58/13/80/1121581380.db2.gz JZLSHBLEURBGTM-UHFFFAOYSA-N 0 1 272.323 3.633 20 0 CHADMN CS[C@H]1CCCCN(Cc2ncoc2C(C)C)C1 ZINC000092806231 1121583480 /nfs/dbraw/zinc/58/34/80/1121583480.db2.gz ZMCOFTKQIRXZGN-LBPRGKRZSA-N 0 1 268.426 3.516 20 0 CHADMN CC(C)[C@@H](NC(=O)C=CC(C)(C)C)c1nc2ccccc2[nH]1 ZINC000074218530 1121585131 /nfs/dbraw/zinc/58/51/31/1121585131.db2.gz OKYMOIBFOZKWRZ-SIFUEBAJSA-N 0 1 299.418 3.979 20 0 CHADMN Cc1ccc(OC(F)F)c(CN[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000631260335 1128996092 /nfs/dbraw/zinc/99/60/92/1128996092.db2.gz MSGYHSYKRUDUKC-NXEZZACHSA-N 0 1 295.251 3.637 20 0 CHADMN CC[C@@H](N[C@H]1C[C@H]1c1cccc(F)c1)c1nccs1 ZINC000411518458 1121600973 /nfs/dbraw/zinc/60/09/73/1121600973.db2.gz PJFTVSXUFHTIJU-MJBXVCDLSA-N 0 1 276.380 3.879 20 0 CHADMN CCCCc1nc(CN(C)[C@@H](C)C2CC2)cs1 ZINC000073872658 1121602956 /nfs/dbraw/zinc/60/29/56/1121602956.db2.gz BXDFEHFOENTFLM-NSHDSACASA-N 0 1 252.427 3.716 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512801421 1121603126 /nfs/dbraw/zinc/60/31/26/1121603126.db2.gz LGOIJZRRRFPRCG-ZJUUUORDSA-N 0 1 291.288 3.587 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CC[C@H](COC(F)F)C1 ZINC000512801421 1121603129 /nfs/dbraw/zinc/60/31/29/1121603129.db2.gz LGOIJZRRRFPRCG-ZJUUUORDSA-N 0 1 291.288 3.587 20 0 CHADMN CCN(c1ccc(N[C@H](C)c2nccn2C)cc1)C(C)C ZINC000182772895 1128996941 /nfs/dbraw/zinc/99/69/41/1128996941.db2.gz DQRYAHGSQOUWRN-CQSZACIVSA-N 0 1 286.423 3.828 20 0 CHADMN Fc1cc(CN[C@@H]2C[C@H]2C(F)(F)F)ccc1Cl ZINC000631264084 1128997043 /nfs/dbraw/zinc/99/70/43/1128997043.db2.gz YQDXGYBEKZHLAJ-GMSGAONNSA-N 0 1 267.653 3.520 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccoc2)cc1F ZINC000094868436 1128997206 /nfs/dbraw/zinc/99/72/06/1128997206.db2.gz SQBBXAJIYOMLJE-QWRGUYRKSA-N 0 1 263.312 3.839 20 0 CHADMN COc1cc(F)c(Nc2ccc3nccn3c2)cc1Cl ZINC001214060609 1121614231 /nfs/dbraw/zinc/61/42/31/1121614231.db2.gz ZRVHLWKRYBVOHY-UHFFFAOYSA-N 0 1 291.713 3.879 20 0 CHADMN CCc1ccc(CNCc2cccc(OC)c2F)s1 ZINC000193858187 1121614296 /nfs/dbraw/zinc/61/42/96/1121614296.db2.gz WVZVSZYVWOTBFA-UHFFFAOYSA-N 0 1 279.380 3.748 20 0 CHADMN CCCOC(=O)[C@@H](C)NC(C1CCCC1)C1CCCC1 ZINC001176365774 1121615444 /nfs/dbraw/zinc/61/54/44/1121615444.db2.gz VGHGTSYNNZEHQO-CYBMUJFWSA-N 0 1 281.440 3.667 20 0 CHADMN Clc1ccccc1CNCc1scnc1C1CC1 ZINC000486936507 1121616212 /nfs/dbraw/zinc/61/62/12/1121616212.db2.gz KCSAFBPJJNLBBI-UHFFFAOYSA-N 0 1 278.808 3.964 20 0 CHADMN Cc1[nH+]ccn1-c1ccc(Nc2csc(C(=O)[O-])c2)cc1 ZINC001176439609 1121622221 /nfs/dbraw/zinc/62/22/21/1121622221.db2.gz VBAMKVRYIZGIEC-UHFFFAOYSA-N 0 1 299.355 3.684 20 0 CHADMN O=C([O-])c1cc(Nc2cccc3cc[nH+]cc32)cs1 ZINC001176439711 1121622541 /nfs/dbraw/zinc/62/25/41/1121622541.db2.gz ZBPXWHQTXKAYEO-UHFFFAOYSA-N 0 1 270.313 3.738 20 0 CHADMN COc1cccc(CN2CCC[C@@H](F)CC2)c1Cl ZINC001237185322 1128998142 /nfs/dbraw/zinc/99/81/42/1128998142.db2.gz MQSHOWRRXQCADA-GFCCVEGCSA-N 0 1 271.763 3.673 20 0 CHADMN CCc1nnc(CN(C)[C@H]2CCCC[C@H]2c2ccccc2)[nH]1 ZINC000412015678 1121637538 /nfs/dbraw/zinc/63/75/38/1121637538.db2.gz UEEPKQRADGUIFB-HOTGVXAUSA-N 0 1 298.434 3.525 20 0 CHADMN Cc1ccc2nc(N)n(-c3cccc(OCC4CC4)c3)c2c1 ZINC001176491902 1121638954 /nfs/dbraw/zinc/63/89/54/1121638954.db2.gz KNGORXCSAFCNJB-UHFFFAOYSA-N 0 1 293.370 3.705 20 0 CHADMN C[C@H](N[C@@H]1CCCOc2ccccc21)c1ccns1 ZINC000924880864 1121640182 /nfs/dbraw/zinc/64/01/82/1121640182.db2.gz DFFOLGLYGUSLLL-WCQYABFASA-N 0 1 274.389 3.708 20 0 CHADMN Cc1cc(-n2c(N)nc3ccccc32)c(F)cc1Cl ZINC001176522373 1121642823 /nfs/dbraw/zinc/64/28/23/1121642823.db2.gz OKQCADBQSFNCDK-UHFFFAOYSA-N 0 1 275.714 3.709 20 0 CHADMN CCS[C@H]1CC[C@H](N(C)Cc2nc3c(s2)CCC3)C1 ZINC000611416652 1121646422 /nfs/dbraw/zinc/64/64/22/1121646422.db2.gz PECYXNDBQSPUHV-RYUDHWBXSA-N 0 1 296.505 3.738 20 0 CHADMN CC(C)(C)CCNCc1ncc(C(F)(F)F)s1 ZINC000433324900 1121648005 /nfs/dbraw/zinc/64/80/05/1121648005.db2.gz GJVJXBSUNRNXBH-UHFFFAOYSA-N 0 1 266.332 3.688 20 0 CHADMN FCCN[C@@H]1CCCSc2ccc(Cl)cc21 ZINC000336683261 1121651266 /nfs/dbraw/zinc/65/12/66/1121651266.db2.gz QBRGPZNWVCMFQS-LLVKDONJSA-N 0 1 259.777 3.826 20 0 CHADMN CCc1cccc(NC(=O)CN2[C@H](C)CC[C@H]2C)c1CC ZINC000490158308 1121655101 /nfs/dbraw/zinc/65/51/01/1121655101.db2.gz LNUFUTMXZYBJSZ-ZIAGYGMSSA-N 0 1 288.435 3.623 20 0 CHADMN CCCc1nc(C)c(CN2CC[C@@H](OCCC(C)C)C2)o1 ZINC000428246624 1121655917 /nfs/dbraw/zinc/65/59/17/1121655917.db2.gz RPHMXHFFVWKWML-OAHLLOKOSA-N 0 1 294.439 3.573 20 0 CHADMN CCC(CC)n1ccc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)n1 ZINC000428750262 1121657481 /nfs/dbraw/zinc/65/74/81/1121657481.db2.gz RSQRKYZPEGUMMY-LSDHHAIUSA-N 0 1 297.393 3.721 20 0 CHADMN CCOc1ccc2nc(SCc3cnccc3C)[nH]c2c1 ZINC000433376138 1121659425 /nfs/dbraw/zinc/65/94/25/1121659425.db2.gz RCTQFOLXKGFDMZ-UHFFFAOYSA-N 0 1 299.399 3.957 20 0 CHADMN CSCCCNc1ccc(C2C=NC(=S)N2)cc1 ZINC001163874694 1121660098 /nfs/dbraw/zinc/66/00/98/1121660098.db2.gz JWBRYGDWBMDAQG-UHFFFAOYSA-N 0 1 279.434 3.530 20 0 CHADMN CN(Cc1ncnn1C(C)(C)C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419332697 1121662917 /nfs/dbraw/zinc/66/29/17/1121662917.db2.gz LCCHGJYRCBNIRQ-KGLIPLIRSA-N 0 1 292.471 3.680 20 0 CHADMN c1coc(C[N@H+](CC[C@@H]2CCCO2)Cc2ccccc2)c1 ZINC000188684630 1121671511 /nfs/dbraw/zinc/67/15/11/1121671511.db2.gz GPSWIKQRGGCMKN-KRWDZBQOSA-N 0 1 285.387 3.851 20 0 CHADMN COc1cc2ccnc(N3C[C@@H]4CCCC[C@@H]43)c2cc1OC ZINC000664080251 1121672888 /nfs/dbraw/zinc/67/28/88/1121672888.db2.gz PBJFMGDVSJFKBT-ZFWWWQNUSA-N 0 1 298.386 3.631 20 0 CHADMN Cc1ncoc1CNCCSc1ccc(Cl)cc1 ZINC000894148773 1121673070 /nfs/dbraw/zinc/67/30/70/1121673070.db2.gz DZGNZCNTKIWOOL-UHFFFAOYSA-N 0 1 282.796 3.518 20 0 CHADMN Cc1ncc(CN(C)CCOc2c(C)cccc2C)s1 ZINC000052101111 1121674019 /nfs/dbraw/zinc/67/40/19/1121674019.db2.gz QVYTXWPSHPWCHP-UHFFFAOYSA-N 0 1 290.432 3.579 20 0 CHADMN Clc1nc(CN2C[C@@H](C3CC3)C[C@H]2C2CC2)cs1 ZINC001176658996 1121677587 /nfs/dbraw/zinc/67/75/87/1121677587.db2.gz XSVVCYKBOXUGEK-AAEUAGOBSA-N 0 1 282.840 3.807 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@@H](C)c1coc2ccccc12 ZINC000924887541 1121682829 /nfs/dbraw/zinc/68/28/29/1121682829.db2.gz BQRGRFWRMSFAKZ-NSHDSACASA-N 0 1 283.375 3.634 20 0 CHADMN CCC1CCN(Cc2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000052280057 1121682851 /nfs/dbraw/zinc/68/28/51/1121682851.db2.gz FNSFXVXECJFZPB-UHFFFAOYSA-N 0 1 285.391 3.667 20 0 CHADMN Cc1cc([C@H](C)NCc2ocnc2C)c(C)s1 ZINC000894164135 1121685125 /nfs/dbraw/zinc/68/51/25/1121685125.db2.gz DJOCANGAALCESM-VIFPVBQESA-N 0 1 250.367 3.512 20 0 CHADMN Cc1c2ccccc2oc1[C@H](C)Nc1ncnc2[nH]cnc21 ZINC000052432467 1121686259 /nfs/dbraw/zinc/68/62/59/1121686259.db2.gz UQVTZXYJHPQZDM-JTQLQIEISA-N 0 1 293.330 3.581 20 0 CHADMN C[N@@H+](C/C=C\c1ccccc1)Cc1ccc(Cl)nc1 ZINC000096833105 1121686741 /nfs/dbraw/zinc/68/67/41/1121686741.db2.gz ZSEFIRPMBQXKCA-YVMONPNESA-N 0 1 272.779 3.880 20 0 CHADMN CN(C/C=C\c1ccccc1)Cc1ccc(Cl)nc1 ZINC000096833105 1121686745 /nfs/dbraw/zinc/68/67/45/1121686745.db2.gz ZSEFIRPMBQXKCA-YVMONPNESA-N 0 1 272.779 3.880 20 0 CHADMN Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)co2)cc1 ZINC000152767048 1129002639 /nfs/dbraw/zinc/00/26/39/1129002639.db2.gz MZSIGIKSCNHKQB-IYBDPMFKSA-N 0 1 282.387 3.882 20 0 CHADMN COc1cccc2cc([C@H](C)NCc3cccn3C)oc21 ZINC000265629002 1121689585 /nfs/dbraw/zinc/68/95/85/1121689585.db2.gz CNRODNTZDSCXGW-LBPRGKRZSA-N 0 1 284.359 3.631 20 0 CHADMN CCCCN(C)Cc1cc(-c2cccs2)on1 ZINC000052869562 1121690694 /nfs/dbraw/zinc/69/06/94/1121690694.db2.gz QQELBQSUMYMMLI-UHFFFAOYSA-N 0 1 250.367 3.635 20 0 CHADMN C[C@@H]1CSCCCN1Cc1ccc(Cl)s1 ZINC001176828887 1121697849 /nfs/dbraw/zinc/69/78/49/1121697849.db2.gz YVIBAPLMTXFRKQ-SECBINFHSA-N 0 1 261.843 3.729 20 0 CHADMN Cc1nn(C)c(Cl)c1CN(CC1CCCCC1)C1CC1 ZINC000727221800 1121707847 /nfs/dbraw/zinc/70/78/47/1121707847.db2.gz KNIPRCXZLBXZKJ-UHFFFAOYSA-N 0 1 295.858 3.927 20 0 CHADMN c1cc(NCc2[nH]nc3ccccc32)n(C2CCCCC2)n1 ZINC000727242897 1121710103 /nfs/dbraw/zinc/71/01/03/1121710103.db2.gz QCHQEINHYYTXGU-UHFFFAOYSA-N 0 1 295.390 3.877 20 0 CHADMN COCCCCN(C)Cc1nc(-c2ccsc2)oc1C ZINC000419376946 1121712810 /nfs/dbraw/zinc/71/28/10/1121712810.db2.gz AESRDJPPIDFOJO-UHFFFAOYSA-N 0 1 294.420 3.570 20 0 CHADMN CCCC(C)=CC(=O)N[C@H](CC)c1nc2ccccc2[nH]1 ZINC000727342238 1121715937 /nfs/dbraw/zinc/71/59/37/1121715937.db2.gz XYYWQKQTFNXOGT-YLGBQOPLSA-N 0 1 285.391 3.877 20 0 CHADMN COc1ccc(CNc2ccc(CN(C)C)c(Cl)c2)o1 ZINC000894174519 1121721455 /nfs/dbraw/zinc/72/14/55/1121721455.db2.gz KKJSVDBPCKCGHB-UHFFFAOYSA-N 0 1 294.782 3.615 20 0 CHADMN Fc1cccc(Br)c1CN[C@@H]1CC[C@@H](F)C1 ZINC000336698709 1121721500 /nfs/dbraw/zinc/72/15/00/1121721500.db2.gz MVUUNSRZSHNWHB-RKDXNWHRSA-N 0 1 290.151 3.568 20 0 CHADMN CC[C@@H](C)C(=O)Nc1cccc(CNCc2ccoc2)c1 ZINC000727468442 1121722869 /nfs/dbraw/zinc/72/28/69/1121722869.db2.gz JPLIVEHRTLXJPX-CYBMUJFWSA-N 0 1 286.375 3.554 20 0 CHADMN CC(C)CCc1ccc(NC(=O)CCc2cnc[nH]2)cc1 ZINC000527239196 1121728699 /nfs/dbraw/zinc/72/86/99/1121728699.db2.gz DMZRKQDITAIUJB-UHFFFAOYSA-N 0 1 285.391 3.570 20 0 CHADMN Cc1ccncc1CN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773669615 1121733963 /nfs/dbraw/zinc/73/39/63/1121733963.db2.gz QASNSPZJRYLPLY-UHFFFAOYSA-N 0 1 299.805 3.728 20 0 CHADMN CC(C)COCCNC1(c2ccc(F)cc2F)CCC1 ZINC000500979646 1121741069 /nfs/dbraw/zinc/74/10/69/1121741069.db2.gz QZGNKNDZNFDLPO-UHFFFAOYSA-N 0 1 283.362 3.606 20 0 CHADMN Cc1cnc(NC/C=C/c2ccccc2)c2[nH]ccc21 ZINC001166064956 1121741969 /nfs/dbraw/zinc/74/19/69/1121741969.db2.gz DPMCHBZMPYQMIS-VMPITWQZSA-N 0 1 263.344 3.997 20 0 CHADMN FC(F)(F)C1=CCN(CCOC2CCCCCC2)CC1 ZINC000536038126 1121744656 /nfs/dbraw/zinc/74/46/56/1121744656.db2.gz DMRBJADPQMAVLG-UHFFFAOYSA-N 0 1 291.357 3.920 20 0 CHADMN Cc1noc(C)c1CNCc1cc2c(s1)CCCC2 ZINC001177729612 1121745659 /nfs/dbraw/zinc/74/56/59/1121745659.db2.gz RATJPYKPRMINKP-UHFFFAOYSA-N 0 1 276.405 3.522 20 0 CHADMN CCC[C@@H](NCc1ccc(F)c(OC)c1)c1ccccn1 ZINC001177688040 1121746513 /nfs/dbraw/zinc/74/65/13/1121746513.db2.gz OOQNTTVSILRKSB-OAHLLOKOSA-N 0 1 288.366 3.860 20 0 CHADMN CCc1ccc(CNCc2cn3ccc(C)cc3n2)s1 ZINC001177733239 1121747637 /nfs/dbraw/zinc/74/76/37/1121747637.db2.gz ITGSJOQCFHHFKZ-UHFFFAOYSA-N 0 1 285.416 3.556 20 0 CHADMN CCCN(CC)Cn1ccn(Cc2ccccc2)c1=S ZINC000727821266 1121750246 /nfs/dbraw/zinc/75/02/46/1121750246.db2.gz XKYNPQXTGKWYLE-UHFFFAOYSA-N 0 1 289.448 3.757 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2cnn(C(C)C)c2)c1 ZINC001177799731 1121750477 /nfs/dbraw/zinc/75/04/77/1121750477.db2.gz GDZKNROGYZFRMQ-CQSZACIVSA-N 0 1 287.407 3.714 20 0 CHADMN CC[C@@H]1CCCN1CN1c2cccc3cccc(c23)C1=O ZINC000727824801 1121750752 /nfs/dbraw/zinc/75/07/52/1121750752.db2.gz SFBLYXSLBMFRLL-CQSZACIVSA-N 0 1 280.371 3.632 20 0 CHADMN C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1ncc[nH]1 ZINC000285503969 1121761068 /nfs/dbraw/zinc/76/10/68/1121761068.db2.gz AHRNDUCLXSJIJW-IAQYHMDHSA-N 0 1 273.355 3.741 20 0 CHADMN C[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1ncc[nH]1 ZINC000285503974 1121761410 /nfs/dbraw/zinc/76/14/10/1121761410.db2.gz AHRNDUCLXSJIJW-XHDPSFHLSA-N 0 1 273.355 3.741 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)N(Cc2cscn2)C1 ZINC000285612762 1121763012 /nfs/dbraw/zinc/76/30/12/1121763012.db2.gz JXLYTUQTFFKXMH-WFASDCNBSA-N 0 1 258.390 3.726 20 0 CHADMN CN1Cc2ccc(NC/C=C/c3cccc(F)c3)cc2C1 ZINC001178094936 1121767297 /nfs/dbraw/zinc/76/72/97/1121767297.db2.gz WFYDCCNMGSVDJV-HWKANZROSA-N 0 1 282.362 3.896 20 0 CHADMN Cc1ccc(CN[C@H]2COc3ccc(Cl)cc32)cc1 ZINC001178148845 1121768157 /nfs/dbraw/zinc/76/81/57/1121768157.db2.gz VJHUCPJONNFSIP-HNNXBMFYSA-N 0 1 273.763 3.872 20 0 CHADMN COc1ccncc1CN[C@@H](c1ccccc1C)C1CC1 ZINC000287547584 1121769773 /nfs/dbraw/zinc/76/97/73/1121769773.db2.gz AKZFEMNBJHSAKF-GOSISDBHSA-N 0 1 282.387 3.640 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@H](C)c1c(C)noc1C)CCC2 ZINC000168224960 1121770125 /nfs/dbraw/zinc/77/01/25/1121770125.db2.gz FXOZEWMAKNBAOL-PRHODGIISA-N 0 1 291.420 3.785 20 0 CHADMN Cc1cccc2c1CC[C@H]2NCc1cc(C(C)C)no1 ZINC000169216898 1121773882 /nfs/dbraw/zinc/77/38/82/1121773882.db2.gz ZCSCJRPGCNCXAI-MRXNPFEDSA-N 0 1 270.376 3.884 20 0 CHADMN Cc1noc(C)c1[C@@H](C)CNCc1ncc(C(C)C)s1 ZINC001178268209 1121775282 /nfs/dbraw/zinc/77/52/82/1121775282.db2.gz ZBEWXCNAMTXPMR-JTQLQIEISA-N 0 1 293.436 3.765 20 0 CHADMN COc1cc(C)cc(CNCc2ccc(C)cc2F)c1 ZINC001178276621 1121776730 /nfs/dbraw/zinc/77/67/30/1121776730.db2.gz ZPBQKZISLOERLK-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN CC(C)N(CC(=O)N(C(C)C)C(C)C)Cc1ccccc1 ZINC000052877109 1121778695 /nfs/dbraw/zinc/77/86/95/1121778695.db2.gz KUDVTOFOHQULNZ-UHFFFAOYSA-N 0 1 290.451 3.542 20 0 CHADMN CC1(C)C[C@@H](n2[nH]c(C3CCCCC3)cc2=O)C(C)(C)O1 ZINC001119378202 1121779975 /nfs/dbraw/zinc/77/99/75/1121779975.db2.gz CVDLRSULHIQDHG-CQSZACIVSA-N 0 1 292.423 3.501 20 0 CHADMN Cc1ncc(CN[C@H]2CCCOc3c(F)cccc32)s1 ZINC001178346053 1121781099 /nfs/dbraw/zinc/78/10/99/1121781099.db2.gz FCIGYJYYJCRZID-AWEZNQCLSA-N 0 1 292.379 3.594 20 0 CHADMN CCC[C@@H](N[C@@H]1CCCc2ncccc21)c1ccccn1 ZINC000631574918 1129008832 /nfs/dbraw/zinc/00/88/32/1129008832.db2.gz GSRMETQNKPMSSQ-SJLPKXTDSA-N 0 1 281.403 3.985 20 0 CHADMN Cc1nc2ccc(CSc3cc(C)ccn3)cc2[nH]1 ZINC001166805855 1121783321 /nfs/dbraw/zinc/78/33/21/1121783321.db2.gz UVKBNUIZCFHVSF-UHFFFAOYSA-N 0 1 269.373 3.867 20 0 CHADMN Cc1cnc([C@@H](C)CNCc2csc(C3CC3)n2)s1 ZINC001178449490 1121785225 /nfs/dbraw/zinc/78/52/25/1121785225.db2.gz QIYXWTIJNDHJKE-VIFPVBQESA-N 0 1 293.461 3.679 20 0 CHADMN COc1cccc2c1OCCC[C@@H]2NCc1ccoc1C ZINC000631577309 1129009101 /nfs/dbraw/zinc/00/91/01/1129009101.db2.gz QKUDAUDTZDVSCJ-HNNXBMFYSA-N 0 1 287.359 3.600 20 0 CHADMN COc1ccc(C)cc1CN[C@@H]1CCCc2ncccc21 ZINC000631590141 1129010406 /nfs/dbraw/zinc/01/04/06/1129010406.db2.gz HGCMCBHIXDRSSG-QGZVFWFLSA-N 0 1 282.387 3.566 20 0 CHADMN Cc1nc(C)c([C@H](C)N(C)C[C@H]2CC2(Cl)Cl)s1 ZINC000730378394 1121807038 /nfs/dbraw/zinc/80/70/38/1121807038.db2.gz NUYWNXZNLXTLLX-WCBMZHEXSA-N 0 1 293.263 3.947 20 0 CHADMN Fc1ccccc1[C@H]1CCN(Cc2cccnc2Cl)C1 ZINC000730432236 1121809353 /nfs/dbraw/zinc/80/93/53/1121809353.db2.gz APTVYSAFFGENGB-LBPRGKRZSA-N 0 1 290.769 3.864 20 0 CHADMN CN(Cc1cc(F)cc(F)c1)Cc1cccc2c1NCC2 ZINC000261775971 1121809389 /nfs/dbraw/zinc/80/93/89/1121809389.db2.gz FASOUQAPHCROCX-UHFFFAOYSA-N 0 1 288.341 3.565 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1CNc1ccc2c(n1)CCC2 ZINC001178743057 1121810707 /nfs/dbraw/zinc/81/07/07/1121810707.db2.gz ZTTSUKPKGVRUNZ-ZFWWWQNUSA-N 0 1 256.393 3.975 20 0 CHADMN c1cc2c(cccc2CNc2ccc3c(n2)CCC3)[nH]1 ZINC001178741331 1121810737 /nfs/dbraw/zinc/81/07/37/1121810737.db2.gz CGHMQNANRSWHDY-UHFFFAOYSA-N 0 1 263.344 3.664 20 0 CHADMN c1cnc2cccc(CNc3ccc4c(n3)CCC4)c2c1 ZINC001178742335 1121811760 /nfs/dbraw/zinc/81/17/60/1121811760.db2.gz RIARDMNRSMMHNB-UHFFFAOYSA-N 0 1 275.355 3.731 20 0 CHADMN Fc1cccc2c1CCC[C@H]2NCc1cccc2c1OCC2 ZINC001178831019 1121820941 /nfs/dbraw/zinc/82/09/41/1121820941.db2.gz FARIYKMADNRMQQ-GOSISDBHSA-N 0 1 297.373 3.928 20 0 CHADMN COc1ccc2c(c1)CC[C@@H]2NCc1ccc(Cl)cn1 ZINC000631606381 1129012440 /nfs/dbraw/zinc/01/24/40/1129012440.db2.gz IODFOISCSUMLFW-INIZCTEOSA-N 0 1 288.778 3.521 20 0 CHADMN CC[C@H](N[C@H]1CCCc2ncccc21)c1c(C)noc1C ZINC000631603895 1129012895 /nfs/dbraw/zinc/01/28/95/1129012895.db2.gz WOBKDLQNSRDRTI-HOCLYGCPSA-N 0 1 285.391 3.805 20 0 CHADMN CC(C)c1ncc(CNC(=O)CC[C@@H](C)c2ccccc2)[nH]1 ZINC001179092725 1121849965 /nfs/dbraw/zinc/84/99/65/1121849965.db2.gz YAUZBPLSLWNJPD-CQSZACIVSA-N 0 1 299.418 3.733 20 0 CHADMN CC(C)(C)C(=O)Cc1cccc(CN2CCCCC2)c1F ZINC001249920658 1121853072 /nfs/dbraw/zinc/85/30/72/1121853072.db2.gz MYXZNDLTTYIEIC-UHFFFAOYSA-N 0 1 291.410 3.969 20 0 CHADMN Cc1c([C@H](C)NCc2ccc3c(c2)COC3)cnn1C(C)C ZINC000345286877 1121866516 /nfs/dbraw/zinc/86/65/16/1121866516.db2.gz DSPMGSKPURDABR-ZDUSSCGKSA-N 0 1 299.418 3.653 20 0 CHADMN C[C@@H](CCC(=O)Nc1ccc2cncn2c1)c1ccccc1 ZINC001179304735 1121867724 /nfs/dbraw/zinc/86/77/24/1121867724.db2.gz XMMLYTCLPQPWQT-AWEZNQCLSA-N 0 1 293.370 3.857 20 0 CHADMN Fc1c(CN[C@@H]2CCCC[C@@H]2F)cccc1OC1CC1 ZINC001179303816 1121868862 /nfs/dbraw/zinc/86/88/62/1121868862.db2.gz ADSDDOJHAHOMSW-UONOGXRCSA-N 0 1 281.346 3.737 20 0 CHADMN Cc1ncsc1CN[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000345317376 1121869912 /nfs/dbraw/zinc/86/99/12/1121869912.db2.gz JFNZPXZIKWCZMN-JTQLQIEISA-N 0 1 292.452 3.562 20 0 CHADMN C[C@@H](C(=O)Nc1ccc2cncn2c1)[C@H](C)C(C)(C)C ZINC001179310552 1121871004 /nfs/dbraw/zinc/87/10/04/1121871004.db2.gz XFZQYIAUUXESCY-NEPJUHHUSA-N 0 1 273.380 3.591 20 0 CHADMN CCc1ncc(CN2CCC[C@@H]2c2ccc(C)s2)cn1 ZINC000414379530 1121880869 /nfs/dbraw/zinc/88/08/69/1121880869.db2.gz GZZSSIKXLUGUBS-CQSZACIVSA-N 0 1 287.432 3.746 20 0 CHADMN C[C@H]1C[C@H](N[C@@H]2c3ccccc3OC[C@@H]2F)C[C@@H](C)C1 ZINC001179579479 1121889003 /nfs/dbraw/zinc/88/90/03/1121889003.db2.gz QPAIUDBYOJYCOV-JARXUMMXSA-N 0 1 277.383 3.873 20 0 CHADMN Cc1nn(-c2ccccc2C)c(C)c1CNC/C=C\Cl ZINC001179746621 1121908273 /nfs/dbraw/zinc/90/82/73/1121908273.db2.gz CDBVGUIAKVKINC-TWGQIWQCSA-N 0 1 289.810 3.640 20 0 CHADMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1[C@H]1C=CCCC1 ZINC000732208745 1121910816 /nfs/dbraw/zinc/91/08/16/1121910816.db2.gz DVJARXFRCBFHRB-LMSBXDPUSA-N 0 1 271.404 3.946 20 0 CHADMN CC[C@@H](C)CN(C)Cn1c2ccccc2oc1=S ZINC000732182473 1121910839 /nfs/dbraw/zinc/91/08/39/1121910839.db2.gz CLYZWXFIONSWCY-LLVKDONJSA-N 0 1 264.394 3.899 20 0 CHADMN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1[C@@H]1C=CCCC1 ZINC000732208743 1121910940 /nfs/dbraw/zinc/91/09/40/1121910940.db2.gz DVJARXFRCBFHRB-ATLSCFEFSA-N 0 1 271.404 3.946 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1cc(F)ncc1F ZINC001179850130 1121916414 /nfs/dbraw/zinc/91/64/14/1121916414.db2.gz QZUACYRQNCGSMN-SMDDNHRTSA-N 0 1 268.351 3.760 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1Cc1cc(F)ncc1F ZINC001179850127 1121916775 /nfs/dbraw/zinc/91/67/75/1121916775.db2.gz QZUACYRQNCGSMN-BXUZGUMPSA-N 0 1 268.351 3.760 20 0 CHADMN c1ccc([C@@H](N[C@H]2CCCc3ncccc32)C2CCC2)nc1 ZINC000631652985 1129018493 /nfs/dbraw/zinc/01/84/93/1129018493.db2.gz VTAFJYSGOXBANN-HKUYNNGSSA-N 0 1 293.414 3.985 20 0 CHADMN CCN(Cc1c(F)cccc1F)CC1CCSCC1 ZINC001179868918 1121920699 /nfs/dbraw/zinc/92/06/99/1121920699.db2.gz KJSTWFNAJYQKEF-UHFFFAOYSA-N 0 1 285.403 3.930 20 0 CHADMN CCC[C@@H](C)N(C)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000345823959 1121921557 /nfs/dbraw/zinc/92/15/57/1121921557.db2.gz YYOOZYVHEHWURM-CQSZACIVSA-N 0 1 297.402 3.508 20 0 CHADMN CCC[C@H](C)C[N@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000901579356 1129018701 /nfs/dbraw/zinc/01/87/01/1129018701.db2.gz IIGWWWLTGFUNES-GJZGRUSLSA-N 0 1 277.408 3.646 20 0 CHADMN CC(C)C1CCN(Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC001179879253 1121924193 /nfs/dbraw/zinc/92/41/93/1121924193.db2.gz ZEWRVIQNNFKHCB-UHFFFAOYSA-N 0 1 283.419 3.945 20 0 CHADMN CC[C@@H]1CCCN(Cc2snc(OC)c2Cl)CC1 ZINC001179938494 1121927624 /nfs/dbraw/zinc/92/76/24/1121927624.db2.gz VJBOBXOMLICYHN-SNVBAGLBSA-N 0 1 288.844 3.817 20 0 CHADMN CC(C)(F)CN[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000631665061 1129018999 /nfs/dbraw/zinc/01/89/99/1129018999.db2.gz VMGLNSCVNVHULL-LBPRGKRZSA-N 0 1 290.304 3.816 20 0 CHADMN C[C@H]1CCN(Cc2cccc(F)c2OC(F)(F)F)[C@H]1C ZINC001179980952 1121932128 /nfs/dbraw/zinc/93/21/28/1121932128.db2.gz UYGNEZIITDZFPU-UWVGGRQHSA-N 0 1 291.288 3.955 20 0 CHADMN CC(C)CCN(Cc1c(Cl)n[nH]c1C1CC1)C1CC1 ZINC001179985167 1121934797 /nfs/dbraw/zinc/93/47/97/1121934797.db2.gz YKJWYXFRVHBIFY-UHFFFAOYSA-N 0 1 281.831 3.951 20 0 CHADMN C[C@H]1CCc2nc(CN3CCC(C)(C)CC3)sc2C1 ZINC001180048659 1121936516 /nfs/dbraw/zinc/93/65/16/1121936516.db2.gz XFFHHNBVDSCCHC-LBPRGKRZSA-N 0 1 278.465 3.890 20 0 CHADMN CC[C@]1(C)CCCN(Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC001179957715 1121936738 /nfs/dbraw/zinc/93/67/38/1121936738.db2.gz QDCMODPPCIYRPT-OAHLLOKOSA-N 0 1 281.831 3.953 20 0 CHADMN CC1(C)CCN(Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC001180048633 1121937768 /nfs/dbraw/zinc/93/77/68/1121937768.db2.gz WLRATNJAVGZOEE-UHFFFAOYSA-N 0 1 269.392 3.699 20 0 CHADMN CCCn1cncc1CN1CCC[C@@H]1c1ccccc1OC ZINC001180052684 1121944003 /nfs/dbraw/zinc/94/40/03/1121944003.db2.gz SRSYAPWKBJOHAV-QGZVFWFLSA-N 0 1 299.418 3.639 20 0 CHADMN CCC[C@@H](Oc1nc(Cl)nc2[nH]ncc21)[C@@H](C)CC ZINC001231046777 1121950560 /nfs/dbraw/zinc/95/05/60/1121950560.db2.gz DLNHZKJIRBLOGO-WCBMZHEXSA-N 0 1 282.775 3.600 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1cnn(CC2CCC2)c1 ZINC001180097989 1121953151 /nfs/dbraw/zinc/95/31/51/1121953151.db2.gz ISWLFNRXVWHKLK-OAHLLOKOSA-N 0 1 295.430 3.630 20 0 CHADMN Cc1scc(CN[C@@H](C)c2cnc(C)nc2C)c1C ZINC000631681723 1129020780 /nfs/dbraw/zinc/02/07/80/1129020780.db2.gz GMOSPHJTIKMFJL-JTQLQIEISA-N 0 1 275.421 3.623 20 0 CHADMN CC[C@@H](C)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000501140779 1121958675 /nfs/dbraw/zinc/95/86/75/1121958675.db2.gz LJOWBTPNMYMURU-SECBINFHSA-N 0 1 289.206 3.662 20 0 CHADMN FC1(F)CCC(CSCc2n[nH]c(C3CC3)n2)CC1 ZINC000419600636 1121959012 /nfs/dbraw/zinc/95/90/12/1121959012.db2.gz HPJVHIUZNIVBID-UHFFFAOYSA-N 0 1 287.379 3.741 20 0 CHADMN COc1cccc(-c2csc(C[N@@H+](C)CC(C)C)n2)c1 ZINC001180169401 1121960267 /nfs/dbraw/zinc/96/02/67/1121960267.db2.gz HVYVUUYZEYAOQQ-UHFFFAOYSA-N 0 1 290.432 3.907 20 0 CHADMN COc1cccc(-c2csc(CN(C)CC(C)C)n2)c1 ZINC001180169401 1121960273 /nfs/dbraw/zinc/96/02/73/1121960273.db2.gz HVYVUUYZEYAOQQ-UHFFFAOYSA-N 0 1 290.432 3.907 20 0 CHADMN CC(C)[C@H](C)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000733109405 1121961513 /nfs/dbraw/zinc/96/15/13/1121961513.db2.gz WCQBLHUZQRWUKC-VHSXEESVSA-N 0 1 293.798 3.686 20 0 CHADMN CC(C)(C)CCCCC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000501229445 1121964507 /nfs/dbraw/zinc/96/45/07/1121964507.db2.gz GXWPNBZYTLBGKW-UHFFFAOYSA-N 0 1 291.317 3.974 20 0 CHADMN Cn1ccc(CNc2ccc3c(c2)nc2n3CCCCC2)c1 ZINC000419743763 1121964952 /nfs/dbraw/zinc/96/49/52/1121964952.db2.gz QMRGUFDHWXNGEU-UHFFFAOYSA-N 0 1 294.402 3.713 20 0 CHADMN Cc1ccc2ncc(CN3CCC(F)(F)CC3)cc2c1 ZINC000664240944 1121970852 /nfs/dbraw/zinc/97/08/52/1121970852.db2.gz NAVXGZOGWLASHJ-UHFFFAOYSA-N 0 1 276.330 3.774 20 0 CHADMN Oc1ccc(CNCc2cc(F)cc(F)c2)cc1Cl ZINC000733322324 1121976252 /nfs/dbraw/zinc/97/62/52/1121976252.db2.gz HAQCGDHJRRGVGE-UHFFFAOYSA-N 0 1 283.705 3.614 20 0 CHADMN CCOc1ccccc1CNCc1ccc(O)c(Cl)c1 ZINC000733325224 1121976738 /nfs/dbraw/zinc/97/67/38/1121976738.db2.gz FKFFSOASVPDSNS-UHFFFAOYSA-N 0 1 291.778 3.734 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2cccc(O)c2)cc(C)n1 ZINC001180288834 1121977463 /nfs/dbraw/zinc/97/74/63/1121977463.db2.gz MKXJYWKAJWOCGF-CQSZACIVSA-N 0 1 270.376 3.597 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(F)c(F)c2)c(C)c1 ZINC001180392737 1121983082 /nfs/dbraw/zinc/98/30/82/1121983082.db2.gz HIZQSXUAZGODBL-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN Cc1occc1CNCc1ccccc1N(C)C(C)C ZINC000414442318 1121985452 /nfs/dbraw/zinc/98/54/52/1121985452.db2.gz XUZSBPREZQONDT-UHFFFAOYSA-N 0 1 272.392 3.722 20 0 CHADMN CCn1ccc(CN(Cc2ccccc2)[C@H](C)C2CC2)n1 ZINC001180404761 1121986554 /nfs/dbraw/zinc/98/65/54/1121986554.db2.gz YSNUZNXWGQQUDZ-OAHLLOKOSA-N 0 1 283.419 3.704 20 0 CHADMN CCN(Cc1ccccc1)Cc1cnc(F)c(C)c1 ZINC001180430591 1121987184 /nfs/dbraw/zinc/98/71/84/1121987184.db2.gz OMSUDWCTBXPICJ-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN COc1cncc(CN(C)[C@H](C)c2ccc(F)cc2)c1C ZINC001180463113 1121993306 /nfs/dbraw/zinc/99/33/06/1121993306.db2.gz ZBPDILAKFRCXEN-CYBMUJFWSA-N 0 1 288.366 3.731 20 0 CHADMN Cc1ncc([C@H](C)N[C@H]2CCCc3ncccc32)s1 ZINC000631711042 1129023619 /nfs/dbraw/zinc/02/36/19/1129023619.db2.gz ZHYWMUYIIOJFCL-HZMBPMFUSA-N 0 1 273.405 3.575 20 0 CHADMN CC(C)CCCCN1CCO[C@H](c2ccccc2)C1 ZINC001180540049 1121998086 /nfs/dbraw/zinc/99/80/86/1121998086.db2.gz GEUXFMUHNLCXSO-KRWDZBQOSA-N 0 1 261.409 3.886 20 0 CHADMN CC[C@H](NCc1ccc(C)o1)c1cccc(OC)c1 ZINC000631727493 1129024422 /nfs/dbraw/zinc/02/44/22/1129024422.db2.gz BZFGFUSAURUMEA-INIZCTEOSA-N 0 1 259.349 3.838 20 0 CHADMN C[C@H]1CCN(Cc2cc(-c3cccs3)on2)C[C@H]1C ZINC000501789522 1122007812 /nfs/dbraw/zinc/00/78/12/1122007812.db2.gz LUUUNVYLZOYSIK-NWDGAFQWSA-N 0 1 276.405 3.881 20 0 CHADMN Cc1nc(C)c(CN[C@H]2CCCc3c(C)cccc32)o1 ZINC000628352433 1122007826 /nfs/dbraw/zinc/00/78/26/1122007826.db2.gz ISQOYBZUPFWECM-INIZCTEOSA-N 0 1 270.376 3.767 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@H](C)[C@H](C)C1 ZINC000501807409 1122009463 /nfs/dbraw/zinc/00/94/63/1122009463.db2.gz XBEXPMDCBVJILI-DGCLKSJQSA-N 0 1 294.826 3.565 20 0 CHADMN C[C@@H]1CCN(Cc2coc(-c3cccc(F)c3)n2)C[C@@H]1C ZINC000501797838 1122009817 /nfs/dbraw/zinc/00/98/17/1122009817.db2.gz WRZJYIRVEXQSFD-OLZOCXBDSA-N 0 1 288.366 3.959 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CC[C@H](C)[C@H](C)C1 ZINC000501806639 1122010719 /nfs/dbraw/zinc/01/07/19/1122010719.db2.gz SZEXYWOPRDKEIA-QWHCGFSZSA-N 0 1 289.398 3.673 20 0 CHADMN Fc1ccc(CN2CC[C@@]3(C2)CCCCO3)cc1Cl ZINC001204280345 1122013493 /nfs/dbraw/zinc/01/34/93/1122013493.db2.gz LDOHSVPGXWHFNO-OAHLLOKOSA-N 0 1 283.774 3.624 20 0 CHADMN Cc1cccc2c1CN(Cc1cc(F)ccc1N(C)C)CC2 ZINC001180859499 1122019049 /nfs/dbraw/zinc/01/90/49/1122019049.db2.gz XXHFBEBZLLBYSF-UHFFFAOYSA-N 0 1 298.405 3.758 20 0 CHADMN CCC[C@H](C)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000501902317 1122023255 /nfs/dbraw/zinc/02/32/55/1122023255.db2.gz XCSHDGXPEOZHLA-JOYOIKCWSA-N 0 1 276.207 3.805 20 0 CHADMN CC[C@@H]1C[C@@H](Nc2ccnc3cc(F)ccc32)CCO1 ZINC000420625256 1122025114 /nfs/dbraw/zinc/02/51/14/1122025114.db2.gz XGMQMFWKIYJULQ-QWHCGFSZSA-N 0 1 274.339 3.743 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cccc(C3CC3)c2)nn1 ZINC000414464243 1122028464 /nfs/dbraw/zinc/02/84/64/1122028464.db2.gz YDKCBDHZIWGLBA-ZDUSSCGKSA-N 0 1 267.376 3.513 20 0 CHADMN C[C@@H](CC1CCC1)N[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000631738049 1129026348 /nfs/dbraw/zinc/02/63/48/1129026348.db2.gz DJSNDLPRNQZFEJ-UGSOOPFHSA-N 0 1 299.393 3.873 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@H](CC(F)(F)F)C2)o1 ZINC000420944241 1122045855 /nfs/dbraw/zinc/04/58/55/1122045855.db2.gz JDSAXODGTGZJHT-LLVKDONJSA-N 0 1 290.329 3.710 20 0 CHADMN Cc1cnc([C@H](C)N2CCC[C@@H](CC(F)(F)F)C2)cn1 ZINC000420937824 1122046032 /nfs/dbraw/zinc/04/60/32/1122046032.db2.gz ADWLKWJATFFIQJ-RYUDHWBXSA-N 0 1 287.329 3.510 20 0 CHADMN CCc1noc(C)c1CN1CCC[C@H](CC(F)(F)F)C1 ZINC000420951848 1122048517 /nfs/dbraw/zinc/04/85/17/1122048517.db2.gz RFSRFRJLEYJFRB-LLVKDONJSA-N 0 1 290.329 3.710 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CC[C@H](C2CCCC2)C1 ZINC000420962744 1122050786 /nfs/dbraw/zinc/05/07/86/1122050786.db2.gz LEZJETKYFYUQBM-OCCSQVGLSA-N 0 1 291.439 3.940 20 0 CHADMN CC[C@@H]1CN(CCCCC(F)(F)F)C[C@H](CC)O1 ZINC000420960129 1122050968 /nfs/dbraw/zinc/05/09/68/1122050968.db2.gz REGDSGWUJQWIGZ-TXEJJXNPSA-N 0 1 267.335 3.608 20 0 CHADMN CC[C@@H]1CN(Cc2cnc3ccccc3c2)C[C@H](CC)O1 ZINC000420964974 1122051089 /nfs/dbraw/zinc/05/10/89/1122051089.db2.gz XQRZBCHNBGEXSI-CALCHBBNSA-N 0 1 284.403 3.624 20 0 CHADMN CCc1nc(CN2CC[C@@H](C3CCCC3)C2)cs1 ZINC000420966500 1122052392 /nfs/dbraw/zinc/05/23/92/1122052392.db2.gz VJUGGIBOKWTYRX-CYBMUJFWSA-N 0 1 264.438 3.718 20 0 CHADMN C[C@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C[C@H](C)C1 ZINC000502207740 1122052861 /nfs/dbraw/zinc/05/28/61/1122052861.db2.gz ZUNVOCSRATYWSJ-UONOGXRCSA-N 0 1 297.402 3.585 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@H](CCO)CC1 ZINC000421009184 1122054779 /nfs/dbraw/zinc/05/47/79/1122054779.db2.gz FAFGGZCVYMVYRX-ZIAGYGMSSA-N 0 1 294.439 3.518 20 0 CHADMN CCN(CCOc1ccccc1C)[C@H](C)c1cnc(C)cn1 ZINC000420978507 1122055289 /nfs/dbraw/zinc/05/52/89/1122055289.db2.gz XICDIXYSSOPGAJ-MRXNPFEDSA-N 0 1 299.418 3.555 20 0 CHADMN CCN(CCOc1ccccc1C)Cc1cnc(C)s1 ZINC000420976764 1122055316 /nfs/dbraw/zinc/05/53/16/1122055316.db2.gz UAUCHKYTYFDYEX-UHFFFAOYSA-N 0 1 290.432 3.661 20 0 CHADMN CC(C)c1nnc(CN2CC[C@H](c3ccccc3)C2(C)C)o1 ZINC000421027085 1122061537 /nfs/dbraw/zinc/06/15/37/1122061537.db2.gz UIZJOJUJTKXWTM-OAHLLOKOSA-N 0 1 299.418 3.961 20 0 CHADMN CC(C)c1nnc(CN2CC[C@H](c3ccccc3)C2(C)C)[nH]1 ZINC000421025467 1122066630 /nfs/dbraw/zinc/06/66/30/1122066630.db2.gz YTQIPCAQQQUQES-OAHLLOKOSA-N 0 1 298.434 3.696 20 0 CHADMN CCN(CCOC)Cc1ccc(Cl)c(C)c1Cl ZINC001181656358 1122068411 /nfs/dbraw/zinc/06/84/11/1122068411.db2.gz QIRNVFVQEONJBB-UHFFFAOYSA-N 0 1 276.207 3.770 20 0 CHADMN C[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C[C@@H](C)C1 ZINC000502388840 1122078337 /nfs/dbraw/zinc/07/83/37/1122078337.db2.gz MAMPNYANCXOFEI-KGLIPLIRSA-N 0 1 297.402 3.585 20 0 CHADMN C[C@H](NCc1cccc2[nH]ccc21)c1cc2n(n1)CCCC2 ZINC000631806942 1129030434 /nfs/dbraw/zinc/03/04/34/1129030434.db2.gz FLFPPPPTVOFTFL-ZDUSSCGKSA-N 0 1 294.402 3.552 20 0 CHADMN CCC1(CC)C[C@@H]1C(=O)Nc1cc2n[nH]c(C)c2c(F)c1 ZINC001181886136 1122090801 /nfs/dbraw/zinc/09/08/01/1122090801.db2.gz JIVWGDASHXTCGB-LLVKDONJSA-N 0 1 289.354 3.775 20 0 CHADMN CCC1(CC)C[C@H]1C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC001181888973 1122092254 /nfs/dbraw/zinc/09/22/54/1122092254.db2.gz ZXPQDIUUTSDTBC-ZDUSSCGKSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1cccc2nc(NC(=O)[C@@H]3CC34CCCCC4)[nH]c21 ZINC001181901249 1122093831 /nfs/dbraw/zinc/09/38/31/1122093831.db2.gz AQNBTLPXOMNHHA-LBPRGKRZSA-N 0 1 283.375 3.780 20 0 CHADMN COCCN(Cc1cccc(C2CC2)c1)Cc1ccccn1 ZINC000421351190 1122097584 /nfs/dbraw/zinc/09/75/84/1122097584.db2.gz BTLDLQOBEDQIKA-UHFFFAOYSA-N 0 1 296.414 3.608 20 0 CHADMN Cn1ccnc1[C@H](NCc1cccc(C2CC2)c1)C1CC1 ZINC000421360369 1122100437 /nfs/dbraw/zinc/10/04/37/1122100437.db2.gz ZGJRUHXJKHGEMI-QGZVFWFLSA-N 0 1 281.403 3.538 20 0 CHADMN C[C@H](N[C@H]1CCCn2nccc21)c1csc(Cl)c1 ZINC000631810543 1129031208 /nfs/dbraw/zinc/03/12/08/1129031208.db2.gz VGPGSHOZAYDVAG-ONGXEEELSA-N 0 1 281.812 3.784 20 0 CHADMN Cc1cc(CNCc2cccc(Cl)c2F)cc(C)n1 ZINC000421380147 1122105575 /nfs/dbraw/zinc/10/55/75/1122105575.db2.gz LSGLTCGIXYFDBA-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN C[C@H](Cc1ccsc1)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000689974680 1122106241 /nfs/dbraw/zinc/10/62/41/1122106241.db2.gz JPOVSDJCWJTBMF-OCCSQVGLSA-N 0 1 295.448 3.502 20 0 CHADMN Cc1nn(-c2ccccc2Cl)cc1CN1C[C@@H](C)[C@H]1C ZINC001182061088 1122107912 /nfs/dbraw/zinc/10/79/12/1122107912.db2.gz CIYYTWHNLDJTQC-DGCLKSJQSA-N 0 1 289.810 3.674 20 0 CHADMN FC(F)(F)C[C@H]1CCCN(C/C=C/c2ccncc2)C1 ZINC000421385517 1122108399 /nfs/dbraw/zinc/10/83/99/1122108399.db2.gz GQILVEUKWBCZOG-XYHHVPKHSA-N 0 1 284.325 3.759 20 0 CHADMN COCc1ccc(CN2CCC[C@H](CC(F)(F)F)C2)o1 ZINC000421390671 1122109203 /nfs/dbraw/zinc/10/92/03/1122109203.db2.gz OQFRJXGRXLMMBF-LLVKDONJSA-N 0 1 291.313 3.590 20 0 CHADMN Oc1cccc(CN2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000421391769 1122109819 /nfs/dbraw/zinc/10/98/19/1122109819.db2.gz POBPWYFZVSJWPP-GFCCVEGCSA-N 0 1 273.298 3.557 20 0 CHADMN CCc1ncc(CN2CCC[C@@H](CC(F)(F)F)C2)s1 ZINC000421397890 1122110859 /nfs/dbraw/zinc/11/08/59/1122110859.db2.gz YGSRKUJZRRLTKZ-JTQLQIEISA-N 0 1 292.370 3.870 20 0 CHADMN CCOc1cccc(CN2Cc3ccccc3O[C@@H](C)C2)c1 ZINC001182125729 1122112056 /nfs/dbraw/zinc/11/20/56/1122112056.db2.gz CRSMKMDNWZNZFJ-HNNXBMFYSA-N 0 1 297.398 3.868 20 0 CHADMN COc1ccc(CN2CC(Cc3ccc(Cl)cc3)C2)o1 ZINC001182216437 1122121825 /nfs/dbraw/zinc/12/18/25/1122121825.db2.gz PYVBGBFWQGPYRG-UHFFFAOYSA-N 0 1 291.778 3.616 20 0 CHADMN CC(C)[C@H]1N(Cc2ccc(F)c(F)c2)CC12CCOCC2 ZINC000414527199 1122131870 /nfs/dbraw/zinc/13/18/70/1122131870.db2.gz MKOJYAPBIRXWEJ-MRXNPFEDSA-N 0 1 295.373 3.602 20 0 CHADMN Cc1cccc(F)c1CN[C@H]1CCCc2occc21 ZINC000774213698 1122138182 /nfs/dbraw/zinc/13/81/82/1122138182.db2.gz QZWINGQPIWDEEW-HNNXBMFYSA-N 0 1 259.324 3.894 20 0 CHADMN CC(C)(C)Oc1ccc(CNCc2ccccn2)cc1 ZINC000620124932 1129034681 /nfs/dbraw/zinc/03/46/81/1129034681.db2.gz FYIKGPUQTHXFTR-UHFFFAOYSA-N 0 1 270.376 3.549 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(Cl)c(F)c1)c1ccnn1C ZINC000774265372 1122150310 /nfs/dbraw/zinc/15/03/10/1122150310.db2.gz DNNXEUBDVICEKY-UWVGGRQHSA-N 0 1 281.762 3.624 20 0 CHADMN C[C@H](NC[C@H]1C[C@H]1c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000503001702 1122161867 /nfs/dbraw/zinc/16/18/67/1122161867.db2.gz AMLFLDGIUSWLPF-CFVMTHIKSA-N 0 1 299.418 3.821 20 0 CHADMN c1ccc(-c2nnc([C@@H]3CCC[N@H+]3[C@H]3C=CCCC3)[n-]2)cc1 ZINC000503159752 1122169527 /nfs/dbraw/zinc/16/95/27/1122169527.db2.gz LDLYULPPGFTSFE-HOTGVXAUSA-N 0 1 294.402 3.717 20 0 CHADMN CC1(C)CCC[C@@H](C(=O)Nc2ccccc2-c2nnc[nH]2)C1 ZINC000271701367 1122171538 /nfs/dbraw/zinc/17/15/38/1122171538.db2.gz USIPRWMIXVDJBP-GFCCVEGCSA-N 0 1 298.390 3.627 20 0 CHADMN CC1(C)CN(Cc2cccc(F)c2N)Cc2ccccc21 ZINC001204346598 1122176199 /nfs/dbraw/zinc/17/61/99/1122176199.db2.gz BDNXJCDVZKOVBD-UHFFFAOYSA-N 0 1 284.378 3.701 20 0 CHADMN CCCCC[C@@H](CC)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000271794733 1122176785 /nfs/dbraw/zinc/17/67/85/1122176785.db2.gz HFTONSOMTLRUEA-OCCSQVGLSA-N 0 1 277.412 3.510 20 0 CHADMN Cc1ccsc1[C@H](C)NCc1ccc(Cl)cn1 ZINC000271827353 1122177945 /nfs/dbraw/zinc/17/79/45/1122177945.db2.gz DJCOCTSWQSTJGF-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN COc1cc([C@H](C)N[C@H](c2ccccc2)C2CCC2)on1 ZINC000924944153 1122179568 /nfs/dbraw/zinc/17/95/68/1122179568.db2.gz UXRDXRXUCJNHRD-YVEFUNNKSA-N 0 1 286.375 3.875 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2ccccc2C)nc1 ZINC000271892276 1122181384 /nfs/dbraw/zinc/18/13/84/1122181384.db2.gz FBFCTCNZPGWIRS-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C)nc1Cl ZINC000688554962 1129036694 /nfs/dbraw/zinc/03/66/94/1129036694.db2.gz FLBDPWBDMOMZJY-DGCLKSJQSA-N 0 1 252.789 3.806 20 0 CHADMN C[C@@H](COCC(F)(F)F)N[C@@H](C)c1cccc(F)c1F ZINC000271968355 1122185112 /nfs/dbraw/zinc/18/51/12/1122185112.db2.gz MVIMJEWCJQQLAR-IUCAKERBSA-N 0 1 297.267 3.583 20 0 CHADMN CCOc1ccc(CN2C[C@H](CC)OC[C@H]2CC)c(C)c1 ZINC001182756132 1122185218 /nfs/dbraw/zinc/18/52/18/1122185218.db2.gz WSDRWQIZOMUZPO-SJORKVTESA-N 0 1 291.435 3.783 20 0 CHADMN COc1cc(C)nc(CNC2(c3ccccc3)CCC2)c1 ZINC000272180691 1122193822 /nfs/dbraw/zinc/19/38/22/1122193822.db2.gz ZBXMDXLJFDPMBZ-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN CCc1ccc(C)nc1N[C@H]1C[C@H](OC)C1(CC)CC ZINC001182875134 1122193954 /nfs/dbraw/zinc/19/39/54/1122193954.db2.gz XNCOXAAXSMULSR-GJZGRUSLSA-N 0 1 276.424 3.958 20 0 CHADMN COCC[C@H](NCc1sccc1C)c1ccc(C)o1 ZINC000272227556 1122194790 /nfs/dbraw/zinc/19/47/90/1122194790.db2.gz FNFJOWKUZQWEEO-ZDUSSCGKSA-N 0 1 279.405 3.825 20 0 CHADMN CC(C)Oc1ccc([C@@H](C)NCc2ccns2)cc1 ZINC000404453645 1122194804 /nfs/dbraw/zinc/19/48/04/1122194804.db2.gz TTZLWFVIVHCJAG-GFCCVEGCSA-N 0 1 276.405 3.781 20 0 CHADMN C[C@H](CO)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000272320850 1122197903 /nfs/dbraw/zinc/19/79/03/1122197903.db2.gz UHPWXKOFWUUISW-BDJLRTHQSA-N 0 1 293.769 3.539 20 0 CHADMN COc1c(O)cccc1CN1CCC[C@@H]1c1cccs1 ZINC000272316366 1122197916 /nfs/dbraw/zinc/19/79/16/1122197916.db2.gz SQNLXFVPZFJSPS-CYBMUJFWSA-N 0 1 289.400 3.799 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cn3ccsc3n1)[C@@H](C)C2 ZINC000272390321 1122199687 /nfs/dbraw/zinc/19/96/87/1122199687.db2.gz IVPMAJWCZVMSCA-BLLLJJGKSA-N 0 1 297.427 3.727 20 0 CHADMN CC1(C)C[C@H](N[C@@H](CCc2ccccc2)C(F)F)CCO1 ZINC000272490362 1122204127 /nfs/dbraw/zinc/20/41/27/1122204127.db2.gz KEBYLWCOORNRMD-CABCVRRESA-N 0 1 297.389 3.800 20 0 CHADMN COc1cc(C)ccc1CN1CC(Cc2cccs2)C1 ZINC001183196771 1122210626 /nfs/dbraw/zinc/21/06/26/1122210626.db2.gz IYLSYBPSGLMRGF-UHFFFAOYSA-N 0 1 287.428 3.740 20 0 CHADMN CCC[C@@H](NCc1cc(OC)ccn1)c1ccccc1 ZINC000273116772 1122220095 /nfs/dbraw/zinc/22/00/95/1122220095.db2.gz GZROJDCKYUBDRU-QGZVFWFLSA-N 0 1 270.376 3.721 20 0 CHADMN Cc1cccc([C@H]2CCN(Cc3ncc(C4CC4)o3)C2)c1 ZINC000273138441 1122221893 /nfs/dbraw/zinc/22/18/93/1122221893.db2.gz VDWBHZKWUVIOQH-INIZCTEOSA-N 0 1 282.387 3.850 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1CN1CCO[C@@](C)(C(F)(F)F)C1 ZINC001183419052 1122222909 /nfs/dbraw/zinc/22/29/09/1122222909.db2.gz HEMRDNJGIPIJOR-MELADBBJSA-N 0 1 291.357 3.632 20 0 CHADMN Cc1c(Cl)cccc1CN1CCS[C@H](C)C1 ZINC001183463699 1122224909 /nfs/dbraw/zinc/22/49/09/1122224909.db2.gz ILSIIRWQAGLZPB-SNVBAGLBSA-N 0 1 255.814 3.586 20 0 CHADMN FC[C@@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)C1 ZINC001183521211 1122225944 /nfs/dbraw/zinc/22/59/44/1122225944.db2.gz WQZIMZMJOMKCIO-VIFPVBQESA-N 0 1 279.252 3.636 20 0 CHADMN CC(C)c1ccc([C@H](C)NCc2n[nH]c(C3CC3)n2)cc1 ZINC000273289654 1122226409 /nfs/dbraw/zinc/22/64/09/1122226409.db2.gz KDBHTOKPRONGBQ-LBPRGKRZSA-N 0 1 284.407 3.656 20 0 CHADMN CCc1cccc(Cl)c1CN1CCC(F)CC1 ZINC001183520426 1122226572 /nfs/dbraw/zinc/22/65/72/1122226572.db2.gz LWUNAYAZLOISGN-UHFFFAOYSA-N 0 1 255.764 3.836 20 0 CHADMN COc1ccnc(CN[C@H](c2ccccc2)C(C)(C)C)c1 ZINC000273316742 1122228094 /nfs/dbraw/zinc/22/80/94/1122228094.db2.gz JKIMSNGTFSRWLG-QGZVFWFLSA-N 0 1 284.403 3.967 20 0 CHADMN c1nc(CN[C@H](Cc2ccccc2)C2CC2)oc1C1CC1 ZINC000273411892 1122231436 /nfs/dbraw/zinc/23/14/36/1122231436.db2.gz QQWQVPJFFLEKAW-MRXNPFEDSA-N 0 1 282.387 3.663 20 0 CHADMN CC1(C)CC(NCc2cc(-c3ccc(F)cc3F)on2)C1 ZINC001183643317 1122232092 /nfs/dbraw/zinc/23/20/92/1122232092.db2.gz PNQPMQCJAMLEAI-UHFFFAOYSA-N 0 1 292.329 3.898 20 0 CHADMN COc1cccc(F)c1[C@H](C)N[C@H](C)[C@H]1CC1(F)F ZINC000666227928 1122232152 /nfs/dbraw/zinc/23/21/52/1122232152.db2.gz LGQUDYOTPJNBLU-KXUCPTDWSA-N 0 1 273.298 3.529 20 0 CHADMN CC(C)C[C@H](NCc1n[nH]c(C2CC2)n1)c1cccs1 ZINC000273488363 1122234956 /nfs/dbraw/zinc/23/49/56/1122234956.db2.gz JYWHPFILZSCTOB-LBPRGKRZSA-N 0 1 290.436 3.621 20 0 CHADMN Cc1nnc([C@@H](C)NCCc2c(F)cccc2Cl)s1 ZINC000273594818 1122240084 /nfs/dbraw/zinc/24/00/84/1122240084.db2.gz JWNPEJJQCPUBPU-MRVPVSSYSA-N 0 1 299.802 3.532 20 0 CHADMN C[C@@H]1CC[C@@H]([NH2+]CCc2c(F)cc([O-])cc2F)[C@@H](C)C1 ZINC001183972615 1122249382 /nfs/dbraw/zinc/24/93/82/1122249382.db2.gz VWRVHJINURBFDH-OHUAYANFSA-N 0 1 283.362 3.627 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1CN(C)Cc1csnc1OC ZINC001183991913 1122251975 /nfs/dbraw/zinc/25/19/75/1122251975.db2.gz OSUZHHSVSXGDNJ-CHWSQXEVSA-N 0 1 282.453 3.800 20 0 CHADMN Cc1cccc(C)c1CN(C)Cc1ccc2c(n1)CCC2 ZINC001184035873 1122252456 /nfs/dbraw/zinc/25/24/56/1122252456.db2.gz RIGROXCWDZPXRF-UHFFFAOYSA-N 0 1 280.415 3.819 20 0 CHADMN C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCC(C)(C)C ZINC000503248433 1122253587 /nfs/dbraw/zinc/25/35/87/1122253587.db2.gz ZXBBMXDBBHGPCM-OAHLLOKOSA-N 0 1 290.451 3.574 20 0 CHADMN Cc1ccc([C@@H](C)CN2CCn3nc(C4CC4)cc3C2)cc1 ZINC001184106312 1122255175 /nfs/dbraw/zinc/25/51/75/1122255175.db2.gz NATNMYWTVZAYAC-HNNXBMFYSA-N 0 1 295.430 3.688 20 0 CHADMN CC[C@H]1CN([C@@H](C)c2ccc(C(F)(F)F)cc2)CCO1 ZINC000503576894 1122268954 /nfs/dbraw/zinc/26/89/54/1122268954.db2.gz IICPQQBAIBLVRX-FZMZJTMJSA-N 0 1 287.325 3.877 20 0 CHADMN c1ccc2c(c1)SC[C@H]2NCc1cccc2c1NCCC2 ZINC000894280843 1122284866 /nfs/dbraw/zinc/28/48/66/1122284866.db2.gz PGOVQXKNKRPBFF-MRXNPFEDSA-N 0 1 296.439 3.981 20 0 CHADMN Cc1cccc(CNCc2ccc3c(c2)C[C@H](C)O3)c1F ZINC001203598485 1122297025 /nfs/dbraw/zinc/29/70/25/1122297025.db2.gz SMJPZGRUZFRJBK-ZDUSSCGKSA-N 0 1 285.362 3.747 20 0 CHADMN Cc1nc2c(s1)[C@@H](NCc1ccccc1F)CCC2 ZINC000153944701 1122310657 /nfs/dbraw/zinc/31/06/57/1122310657.db2.gz TVDHGQLZZZMFGU-ZDUSSCGKSA-N 0 1 276.380 3.758 20 0 CHADMN CO[C@@]1(C)C[C@H](NCc2csc(C(C)C)n2)C1(C)C ZINC000072926413 1122314263 /nfs/dbraw/zinc/31/42/63/1122314263.db2.gz RBCVYKRBXUKAEQ-WFASDCNBSA-N 0 1 282.453 3.560 20 0 CHADMN CCN(CC)Cc1nc2ccc(Br)cc2s1 ZINC000774821186 1122317473 /nfs/dbraw/zinc/31/74/73/1122317473.db2.gz LOCKLSHLDIAXIY-UHFFFAOYSA-N 0 1 299.237 3.901 20 0 CHADMN Cc1cc([C@H](C)Nc2ccncc2C(F)(F)F)c(C)o1 ZINC001185106102 1122320737 /nfs/dbraw/zinc/32/07/37/1122320737.db2.gz IHGCQJCWQRKABA-VIFPVBQESA-N 0 1 284.281 3.905 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@H]1CCC[C@@H](F)C1 ZINC000424747142 1122338883 /nfs/dbraw/zinc/33/88/83/1122338883.db2.gz FSBKNNMJHMFMNY-DTWKUNHWSA-N 0 1 271.719 3.512 20 0 CHADMN Cc1ccc(CN2CCSC(C)(C)CC2)c(Cl)n1 ZINC000688579886 1129048129 /nfs/dbraw/zinc/04/81/29/1129048129.db2.gz UWBHBYHGMODGCS-UHFFFAOYSA-N 0 1 284.856 3.761 20 0 CHADMN C[C@H]1CC(C)(C)CC[C@@H]1Nc1nc(Cl)nc2[nH]cnc21 ZINC001185620539 1122353414 /nfs/dbraw/zinc/35/34/14/1122353414.db2.gz KTTQBGVBCWCBII-IUCAKERBSA-N 0 1 293.802 3.633 20 0 CHADMN COc1ccc(OC(F)F)c(CN2CCC[C@@H](C)C2)c1 ZINC000505318987 1122357720 /nfs/dbraw/zinc/35/77/20/1122357720.db2.gz FCRNLGVVXRUYPZ-LLVKDONJSA-N 0 1 285.334 3.529 20 0 CHADMN COc1cccc(Cl)c1CN1CCC[C@H](C)C1 ZINC000505350217 1122359160 /nfs/dbraw/zinc/35/91/60/1122359160.db2.gz OEKVVHGQZZIYBP-NSHDSACASA-N 0 1 253.773 3.581 20 0 CHADMN CC(C)c1ncc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)[nH]1 ZINC000074216267 1122361746 /nfs/dbraw/zinc/36/17/46/1122361746.db2.gz LROBNGHTWSJNQK-GUTXKFCHSA-N 0 1 289.423 3.574 20 0 CHADMN Cc1ccc(CN2CCC(F)(c3ccccc3)CC2)nc1 ZINC000434499456 1122373744 /nfs/dbraw/zinc/37/37/44/1122373744.db2.gz MDJQZMUQDOHDAT-UHFFFAOYSA-N 0 1 284.378 3.851 20 0 CHADMN c1[nH]nc2c1CN(C(c1ccccc1)c1ccccc1)CC2 ZINC000514101361 1122376542 /nfs/dbraw/zinc/37/65/42/1122376542.db2.gz DYXCEHXGEXKAHI-UHFFFAOYSA-N 0 1 289.382 3.557 20 0 CHADMN CC[C@H](CSC)N(C)Cc1c(Cl)cccc1OC ZINC000514134024 1122380864 /nfs/dbraw/zinc/38/08/64/1122380864.db2.gz GWUUBCGPPWLPTR-LLVKDONJSA-N 0 1 287.856 3.922 20 0 CHADMN CCc1ccccc1NC(=O)CN(C)CCC(C)(C)CC ZINC000434655545 1122390790 /nfs/dbraw/zinc/39/07/90/1122390790.db2.gz UTGWEBIPCBEJOU-UHFFFAOYSA-N 0 1 290.451 3.946 20 0 CHADMN Cc1ccc([C@@H](O)CNCc2ccsc2Cl)cc1 ZINC000775022397 1122394014 /nfs/dbraw/zinc/39/40/14/1122394014.db2.gz YXJUQMGDFNKFSE-ZDUSSCGKSA-N 0 1 281.808 3.533 20 0 CHADMN CCN(Cc1ccc(-c2ccccc2)cc1F)[C@H](C)CO ZINC000430091108 1122399310 /nfs/dbraw/zinc/39/93/10/1122399310.db2.gz QOPPTOZMJFCKBW-CQSZACIVSA-N 0 1 287.378 3.695 20 0 CHADMN Cc1ccc(CN2CC(C)(C)[C@@H]2c2cccnc2)cc1 ZINC000430082438 1122400511 /nfs/dbraw/zinc/40/05/11/1122400511.db2.gz DZJPWBLBOTXZFA-KRWDZBQOSA-N 0 1 266.388 3.973 20 0 CHADMN Cc1cccc(CN(C)Cc2cnn3ccccc23)c1C ZINC000430104837 1122401985 /nfs/dbraw/zinc/40/19/85/1122401985.db2.gz NZMIMFFKSNGHSD-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN Cc1ccoc1CN(C)Cc1c[nH]nc1-c1cccs1 ZINC000430120028 1122405544 /nfs/dbraw/zinc/40/55/44/1122405544.db2.gz FAEPBLDGXWIUGY-UHFFFAOYSA-N 0 1 287.388 3.672 20 0 CHADMN CCc1noc([C@@H](C)N2CC[C@@](C)(c3ccc(C)cc3)C2)n1 ZINC000434740038 1122408032 /nfs/dbraw/zinc/40/80/32/1122408032.db2.gz YJNCNCFFVVEMRZ-RDTXWAMCSA-N 0 1 299.418 3.665 20 0 CHADMN CC[C@H](C)N(CC)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000824640860 1122408688 /nfs/dbraw/zinc/40/86/88/1122408688.db2.gz CEKFTWPBNMBTHH-AWEZNQCLSA-N 0 1 292.423 3.526 20 0 CHADMN Cc1nc2ccccn2c1CN(C)Cc1ccc(C)cc1 ZINC000505560218 1122419664 /nfs/dbraw/zinc/41/96/64/1122419664.db2.gz QNZKNFUNYNDAEJ-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN Cc1cc(C(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c(C)[nH]1 ZINC000434904539 1122420990 /nfs/dbraw/zinc/42/09/90/1122420990.db2.gz ONEJFNPYPQURNZ-DOTOQJQBSA-N 0 1 296.414 3.692 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@H](C)c1cnn(C)c1 ZINC000282196655 1122423083 /nfs/dbraw/zinc/42/30/83/1122423083.db2.gz GPDRIGLGMAWHGO-NEPJUHHUSA-N 0 1 275.421 3.554 20 0 CHADMN O[C@H]1CCCN(Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000435058829 1122430893 /nfs/dbraw/zinc/43/08/93/1122430893.db2.gz VKINBFKBFOYQMA-ZDUSSCGKSA-N 0 1 291.391 3.511 20 0 CHADMN CCc1ccc(CN(C)Cc2cnc3ccccn23)cc1 ZINC000505602592 1122433618 /nfs/dbraw/zinc/43/36/18/1122433618.db2.gz AMHGBMLVDMMEAU-UHFFFAOYSA-N 0 1 279.387 3.529 20 0 CHADMN CC(C)(C)C[C@H]1CCC[N@H+]1CCCCCC(=O)[O-] ZINC000514945848 1122464745 /nfs/dbraw/zinc/46/47/45/1122464745.db2.gz YGENFUCCQRWNES-CYBMUJFWSA-N 0 1 255.402 3.532 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1Cc1cccc(-c2cccnc2)c1 ZINC000505608904 1122436130 /nfs/dbraw/zinc/43/61/30/1122436130.db2.gz MKMVRVSTULNGEE-HNAYVOBHSA-N 0 1 296.414 3.748 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1cncn1C(C)C ZINC000425330304 1122455066 /nfs/dbraw/zinc/45/50/66/1122455066.db2.gz AMIYVDPNAUBRCU-YBEGLDIGSA-N 0 1 283.419 3.999 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCC[C@H](C)F)n2)o1 ZINC000505657799 1122455199 /nfs/dbraw/zinc/45/51/99/1122455199.db2.gz HCZORIOPUQLEGF-CYNONHLPSA-N 0 1 281.356 3.717 20 0 CHADMN C[C@H](N[C@H]1c2ccc(F)cc2O[C@@H]1C)c1ccccc1 ZINC000514959112 1122467309 /nfs/dbraw/zinc/46/73/09/1122467309.db2.gz FTQJCFBHUHVYBK-XWCIJXRUSA-N 0 1 271.335 3.999 20 0 CHADMN C[C@@H](SCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC001188692504 1122473076 /nfs/dbraw/zinc/47/30/76/1122473076.db2.gz XHLAMGHDROKGRW-HZSPNIEDSA-N 0 1 297.439 3.729 20 0 CHADMN C[C@@H](SCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC001188692504 1122473078 /nfs/dbraw/zinc/47/30/78/1122473078.db2.gz XHLAMGHDROKGRW-HZSPNIEDSA-N 0 1 297.439 3.729 20 0 CHADMN CC[C@H](SCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001188940068 1122480986 /nfs/dbraw/zinc/48/09/86/1122480986.db2.gz GQPQIIINDVYJEH-UXLLHSPISA-N 0 1 293.476 3.980 20 0 CHADMN Clc1cccc(Cl)c1-c1noc(CNCC2CC2)n1 ZINC000435727185 1122485559 /nfs/dbraw/zinc/48/55/59/1122485559.db2.gz UYXXHMZNNRSTAF-UHFFFAOYSA-N 0 1 298.173 3.543 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000515306034 1122489969 /nfs/dbraw/zinc/48/99/69/1122489969.db2.gz RFWIGDPGYFSTRW-NSHDSACASA-N 0 1 281.783 3.660 20 0 CHADMN C1=C[C@@H]2C[C@H]1C[C@@H]2CSc1nc(Cc2ccccc2)n[nH]1 ZINC001189182668 1122491374 /nfs/dbraw/zinc/49/13/74/1122491374.db2.gz IZIJTAZHUBNHGQ-RRFJBIMHSA-N 0 1 297.427 3.700 20 0 CHADMN C1=C[C@@H]2C[C@H]1C[C@@H]2CSc1n[nH]c(Cc2ccccc2)n1 ZINC001189182668 1122491377 /nfs/dbraw/zinc/49/13/77/1122491377.db2.gz IZIJTAZHUBNHGQ-RRFJBIMHSA-N 0 1 297.427 3.700 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@H]2c2ccc(F)cc2)[nH]1 ZINC001203234289 1122497940 /nfs/dbraw/zinc/49/79/40/1122497940.db2.gz LHXJZIFXCNNIME-INIZCTEOSA-N 0 1 287.382 3.757 20 0 CHADMN Cc1c2cc(F)ccc2oc1CN[C@@H](C)c1cncnc1C ZINC000515432990 1122499589 /nfs/dbraw/zinc/49/95/89/1122499589.db2.gz NCGLLPAFKHWXSO-NSHDSACASA-N 0 1 299.349 3.830 20 0 CHADMN CCC(C)(C)[C@H]1CCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000515492131 1122504788 /nfs/dbraw/zinc/50/47/88/1122504788.db2.gz VXBZMQMPUVBYEB-OAHLLOKOSA-N 0 1 275.392 3.785 20 0 CHADMN COc1ccccc1[C@H]1CC[C@H](C)CN1Cc1ccno1 ZINC000285493686 1122512778 /nfs/dbraw/zinc/51/27/78/1122512778.db2.gz POZUOCGTVJFSTA-XJKSGUPXSA-N 0 1 286.375 3.656 20 0 CHADMN COc1ncc(CNC2(c3ccccc3)CC2)cc1Cl ZINC000775332090 1122517868 /nfs/dbraw/zinc/51/78/68/1122517868.db2.gz CQYRAJMNYNQFAI-UHFFFAOYSA-N 0 1 288.778 3.523 20 0 CHADMN COc1cc(C)c(NCc2[nH]nc3ccccc32)cc1F ZINC000775323242 1122518060 /nfs/dbraw/zinc/51/80/60/1122518060.db2.gz CRMNSYSIONPHRC-UHFFFAOYSA-N 0 1 285.322 3.631 20 0 CHADMN Cc1cnc(CN([C@@H](C)c2ccccc2)C2CC2)cn1 ZINC000505775943 1122524725 /nfs/dbraw/zinc/52/47/25/1122524725.db2.gz GUVUOFWWXWEXJE-AWEZNQCLSA-N 0 1 267.376 3.511 20 0 CHADMN COc1ccc(CN2CC3(C2)CC(F)(F)C3)c(C)c1C ZINC001203713961 1122526936 /nfs/dbraw/zinc/52/69/36/1122526936.db2.gz ZOVDQIIVOAIMQH-UHFFFAOYSA-N 0 1 281.346 3.543 20 0 CHADMN Fc1cccc2[nH]c(CNCc3ccccc3F)cc21 ZINC000436270668 1122531721 /nfs/dbraw/zinc/53/17/21/1122531721.db2.gz ORHJWXCBJTZQNO-UHFFFAOYSA-N 0 1 272.298 3.736 20 0 CHADMN CC1=CCCN(CCOc2ccc(F)cc2Cl)C1 ZINC000436269056 1122532123 /nfs/dbraw/zinc/53/21/23/1122532123.db2.gz WKIHXWPIOBMZED-UHFFFAOYSA-N 0 1 269.747 3.510 20 0 CHADMN CCOC(=O)[C@H](CCc1ccccc1)N(C)CCC(C)C ZINC001190426448 1122537048 /nfs/dbraw/zinc/53/70/48/1122537048.db2.gz GVBUGIILLACDBU-KRWDZBQOSA-N 0 1 291.435 3.529 20 0 CHADMN C[C@@H]1CCCN(Cc2ccn(-c3ccccc3F)n2)[C@H]1C ZINC000515764872 1122538935 /nfs/dbraw/zinc/53/89/35/1122538935.db2.gz WJNAIDAERBXXQS-KGLIPLIRSA-N 0 1 287.382 3.632 20 0 CHADMN CC[C@@](C)(NCc1nccn1C(C)C)c1ccccc1 ZINC000775390187 1122539867 /nfs/dbraw/zinc/53/98/67/1122539867.db2.gz JLNBJOAUZSNIQF-QGZVFWFLSA-N 0 1 271.408 3.879 20 0 CHADMN OCCC[C@@H](NCc1ccc(F)cc1F)c1ccccc1 ZINC000077467064 1122541392 /nfs/dbraw/zinc/54/13/92/1122541392.db2.gz JDVDSAOMNPLVSL-QGZVFWFLSA-N 0 1 291.341 3.568 20 0 CHADMN COc1c(F)cc(F)cc1CN1CC[C@H](C)C[C@@H]1C ZINC001143561195 1122542090 /nfs/dbraw/zinc/54/20/90/1122542090.db2.gz MSVNBAXJGBTRQO-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN CCC1CCC(N(CC(=O)c2cccn2C)C2CC2)CC1 ZINC000505808951 1122543947 /nfs/dbraw/zinc/54/39/47/1122543947.db2.gz KMHGIQVAEYCELP-UHFFFAOYSA-N 0 1 288.435 3.641 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)C1(C(F)F)CCC1 ZINC000633063544 1129061675 /nfs/dbraw/zinc/06/16/75/1129061675.db2.gz WQEBJNFJFMDXMG-UHFFFAOYSA-N 0 1 293.672 3.559 20 0 CHADMN CCOc1nccc(CN2CCC[C@H](CC)C2)c1Cl ZINC001250384811 1122548313 /nfs/dbraw/zinc/54/83/13/1122548313.db2.gz BWVMGIWRYOMUQY-LBPRGKRZSA-N 0 1 282.815 3.756 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2cc(O)c(Cl)c(F)c2F)C1 ZINC001250387096 1122549507 /nfs/dbraw/zinc/54/95/07/1122549507.db2.gz GJYFMRBWJMWJOL-CBAPKCEASA-N 0 1 293.716 3.504 20 0 CHADMN Cc1cc([C@H]2CCC[N@H+]2Cc2cccc3cnccc32)no1 ZINC000783410138 1122550206 /nfs/dbraw/zinc/55/02/06/1122550206.db2.gz YJYLLCPWWVIYPA-GOSISDBHSA-N 0 1 293.370 3.868 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2cccc3cnccc32)no1 ZINC000783410138 1122550212 /nfs/dbraw/zinc/55/02/12/1122550212.db2.gz YJYLLCPWWVIYPA-GOSISDBHSA-N 0 1 293.370 3.868 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2cccc3cnccc32)no1 ZINC000783410140 1122550301 /nfs/dbraw/zinc/55/03/01/1122550301.db2.gz YJYLLCPWWVIYPA-SFHVURJKSA-N 0 1 293.370 3.868 20 0 CHADMN CCC1(C)CCN(Cc2scnc2Cl)CC1 ZINC001190692323 1122552839 /nfs/dbraw/zinc/55/28/39/1122552839.db2.gz VQURUFCLGJPEAJ-UHFFFAOYSA-N 0 1 258.818 3.809 20 0 CHADMN CC[C@H](C)[C@@H](C)N1CCO[C@H](c2cccc(F)c2)C1 ZINC001190790825 1122555016 /nfs/dbraw/zinc/55/50/16/1122555016.db2.gz FFRQPPNLWIIQGF-ZENOOKHLSA-N 0 1 265.372 3.634 20 0 CHADMN Cl/C=C(\Cl)CN[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000775422759 1122561368 /nfs/dbraw/zinc/56/13/68/1122561368.db2.gz ZCBYQIWIGRKOLU-DOOVCASASA-N 0 1 286.202 3.673 20 0 CHADMN CCC[C@]1(C)CCCN(C(=O)c2ccc(F)cc2O)C1 ZINC000436577939 1122561593 /nfs/dbraw/zinc/56/15/93/1122561593.db2.gz WEOGWWDCNLZZDE-MRXNPFEDSA-N 0 1 279.355 3.574 20 0 CHADMN CCCOC(=O)[C@H](C)N(C)[C@H](c1ccccc1)C(C)C ZINC001190954687 1122563948 /nfs/dbraw/zinc/56/39/48/1122563948.db2.gz MCRFGAYSHINVOS-HOCLYGCPSA-N 0 1 277.408 3.657 20 0 CHADMN CC1(C)CO[C@@H](CN2CCC[C@H]2c2ccc(F)c(F)c2)C1 ZINC001191039528 1122566295 /nfs/dbraw/zinc/56/62/95/1122566295.db2.gz QPTNKMYZLHNRCU-CJNGLKHVSA-N 0 1 295.373 3.917 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)c2sccc2C)c1 ZINC000436650709 1122568368 /nfs/dbraw/zinc/56/83/68/1122568368.db2.gz BFXUGDLELRUXMP-UHFFFAOYSA-N 0 1 289.356 3.607 20 0 CHADMN C[C@@H](C1CCCCC1)N(C)C(=O)c1c(O)cccc1F ZINC000436640127 1122568894 /nfs/dbraw/zinc/56/88/94/1122568894.db2.gz UJBMAPYKSWLHJV-NSHDSACASA-N 0 1 279.355 3.572 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H]2C[C@@]2(C)C(C)C)c1 ZINC000436648443 1122569171 /nfs/dbraw/zinc/56/91/71/1122569171.db2.gz UHHRDAVJKVMVHA-PXAZEXFGSA-N 0 1 289.375 3.606 20 0 CHADMN C/C=C\c1ccc(NC(=O)c2c(O)cccc2F)cc1 ZINC000436744490 1122577403 /nfs/dbraw/zinc/57/74/03/1122577403.db2.gz MTAUHTAXPBEFTG-RQOWECAXSA-N 0 1 271.291 3.817 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2ccncc2Br)C1 ZINC001191213743 1122582934 /nfs/dbraw/zinc/58/29/34/1122582934.db2.gz KEFQFKYSMZXMIJ-AWEZNQCLSA-N 0 1 297.240 3.856 20 0 CHADMN CC(C)C[C@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000436831574 1122586068 /nfs/dbraw/zinc/58/60/68/1122586068.db2.gz QNCJJSYLMVDUGV-GFCCVEGCSA-N 0 1 295.810 3.944 20 0 CHADMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000516300422 1122587314 /nfs/dbraw/zinc/58/73/14/1122587314.db2.gz AGSVWTSYDFYVJF-ZYHUDNBSSA-N 0 1 281.783 3.659 20 0 CHADMN CCCCCNC(=O)CN(Cc1ccc(C)s1)C(C)C ZINC000516310739 1122588259 /nfs/dbraw/zinc/58/82/59/1122588259.db2.gz FDWQIOVTXOTPOE-UHFFFAOYSA-N 0 1 296.480 3.573 20 0 CHADMN CC[C@H]1CCN1C(=O)c1cc(Cl)c2ccccc2c1O ZINC000436858478 1122589063 /nfs/dbraw/zinc/58/90/63/1122589063.db2.gz FRAGJQITSJYAGV-JTQLQIEISA-N 0 1 289.762 3.823 20 0 CHADMN CCc1cnc(CN(C)C[C@@H]2CCCC[C@@H]2C)s1 ZINC001191358549 1122592862 /nfs/dbraw/zinc/59/28/62/1122592862.db2.gz MQSYVFRZJXOTNA-STQMWFEESA-N 0 1 266.454 3.964 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C3(C4CCC4)CCC3)ccc12 ZINC000516403698 1122596537 /nfs/dbraw/zinc/59/65/37/1122596537.db2.gz QCVQULFHWLOIMA-UHFFFAOYSA-N 0 1 283.375 3.780 20 0 CHADMN CC[C@H](CC(F)(F)F)NC(=O)c1ccc(O)c(Cl)c1 ZINC000436978366 1122600041 /nfs/dbraw/zinc/60/00/41/1122600041.db2.gz HCSMWKOOYMLWKC-MRVPVSSYSA-N 0 1 295.688 3.506 20 0 CHADMN CC[C@@H](CC(F)(F)F)NC(=O)c1ccc(O)c(Cl)c1 ZINC000436978368 1122600496 /nfs/dbraw/zinc/60/04/96/1122600496.db2.gz HCSMWKOOYMLWKC-QMMMGPOBSA-N 0 1 295.688 3.506 20 0 CHADMN Cc1cc(CN2CCSC3(CCCCC3)C2)sn1 ZINC001191465044 1122603459 /nfs/dbraw/zinc/60/34/59/1122603459.db2.gz WEWXGRSREUZKPE-UHFFFAOYSA-N 0 1 282.478 3.703 20 0 CHADMN Fc1cccc(CCN2CCOC3(C2)CCCCCC3)c1 ZINC001191553131 1122605559 /nfs/dbraw/zinc/60/55/59/1122605559.db2.gz ZYLVJVJJRWOEGU-UHFFFAOYSA-N 0 1 291.410 3.793 20 0 CHADMN Cc1ccc(CN2CCC(Oc3ccccc3C)CC2)o1 ZINC001203289575 1122606650 /nfs/dbraw/zinc/60/66/50/1122606650.db2.gz HXLDQYYPGYJYFA-UHFFFAOYSA-N 0 1 285.387 3.940 20 0 CHADMN CC(C)C[C@@H](C[N@H+]1CCn2cncc2C1)c1ccccc1 ZINC000516609577 1122616837 /nfs/dbraw/zinc/61/68/37/1122616837.db2.gz ULEFLVZFYOKJCM-KRWDZBQOSA-N 0 1 283.419 3.529 20 0 CHADMN CC[C@@H](C)N(C)Cc1cccc(F)c1Br ZINC000158016287 1122616858 /nfs/dbraw/zinc/61/68/58/1122616858.db2.gz ZTGDDIVZZHGYEO-SECBINFHSA-N 0 1 274.177 3.819 20 0 CHADMN CC(C)C[C@@H](CN1CCn2cncc2C1)c1ccccc1 ZINC000516609577 1122616841 /nfs/dbraw/zinc/61/68/41/1122616841.db2.gz ULEFLVZFYOKJCM-KRWDZBQOSA-N 0 1 283.419 3.529 20 0 CHADMN CC(C)c1cc(C(=O)N2CCCC[C@H]2CC2CCC2)n[nH]1 ZINC000620573372 1129066930 /nfs/dbraw/zinc/06/69/30/1129066930.db2.gz JXGMBPKPBAASHR-AWEZNQCLSA-N 0 1 289.423 3.718 20 0 CHADMN CCCCC[C@@H]1CCCN1CC(=O)OCc1ccccc1 ZINC001192202262 1122633590 /nfs/dbraw/zinc/63/35/90/1122633590.db2.gz YOTJPIUYZFFYHT-QGZVFWFLSA-N 0 1 289.419 3.775 20 0 CHADMN CC(C)=CCC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC001192252463 1122634431 /nfs/dbraw/zinc/63/44/31/1122634431.db2.gz IRKFGHFOOCTONG-GOSISDBHSA-N 0 1 271.404 3.517 20 0 CHADMN COC/C(C)=C\CN(Cc1ccccc1F)C1CCC1 ZINC001192224957 1122635869 /nfs/dbraw/zinc/63/58/69/1122635869.db2.gz UNGNOWSXZHQZHB-UVTDQMKNSA-N 0 1 277.383 3.773 20 0 CHADMN CCCCCN(Cc1ccnn1C)Cc1ccc(F)cc1 ZINC000506055038 1122636009 /nfs/dbraw/zinc/63/60/09/1122636009.db2.gz HEEYIVXHXCBBAA-UHFFFAOYSA-N 0 1 289.398 3.752 20 0 CHADMN Fc1ccc2c(c1F)CN(CC[C@@H]1C[C@H]1C1CC1)CC2 ZINC001192234899 1122636641 /nfs/dbraw/zinc/63/66/41/1122636641.db2.gz WCNZQSOVQJFADJ-KGLIPLIRSA-N 0 1 277.358 3.759 20 0 CHADMN COc1cc(C)cc(CN[C@H](C)c2cn3ccccc3n2)c1 ZINC000517040535 1122643429 /nfs/dbraw/zinc/64/34/29/1122643429.db2.gz UMTGAIDANOHICR-CQSZACIVSA-N 0 1 295.386 3.502 20 0 CHADMN Fc1ccc(CN2CCC(Cc3ccccc3)CC2)cn1 ZINC000189279936 1129068476 /nfs/dbraw/zinc/06/84/76/1129068476.db2.gz NFFYAQBVDCTNDV-UHFFFAOYSA-N 0 1 284.378 3.675 20 0 CHADMN CC(C)[C@H]1CN(Cc2cccc(C(C)(C)C)c2)CCO1 ZINC001192546613 1122651141 /nfs/dbraw/zinc/65/11/41/1122651141.db2.gz NCNMNFGPKOQNJS-QGZVFWFLSA-N 0 1 275.436 3.841 20 0 CHADMN CC[C@H]1CO[C@H](C)CN1CCCOc1ccc(C)c(C)c1 ZINC000506119814 1122653189 /nfs/dbraw/zinc/65/31/89/1122653189.db2.gz ASXSBHVDHBOBEZ-SJORKVTESA-N 0 1 291.435 3.572 20 0 CHADMN C=C/C=C\CCN1CCn2c(Cl)ccc2[C@@H]1C ZINC001192947322 1122663698 /nfs/dbraw/zinc/66/36/98/1122663698.db2.gz NWVDMYWYMSNVMN-RXNFCKPNSA-N 0 1 250.773 3.650 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2cccc(F)c2Cl)C[C@H]1O ZINC001192946816 1122663943 /nfs/dbraw/zinc/66/39/43/1122663943.db2.gz LQEJIWHCAJRYSO-TZMCWYRMSA-N 0 1 299.817 3.708 20 0 CHADMN CCCN(CCc1cccs1)Cc1c(Cl)cnn1C ZINC000437967733 1122666844 /nfs/dbraw/zinc/66/68/44/1122666844.db2.gz DCPSHRBTRQAKLD-UHFFFAOYSA-N 0 1 297.855 3.590 20 0 CHADMN Cc1ccc2cc(CN(C)Cc3ccccn3)ccc2n1 ZINC000437983013 1122669967 /nfs/dbraw/zinc/66/99/67/1122669967.db2.gz GQNKJNLDRSVDFL-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN C[C@@H]1SCCN(Cc2cc3c(cccc3F)[nH]2)[C@H]1C ZINC000438092445 1122675110 /nfs/dbraw/zinc/67/51/10/1122675110.db2.gz GNBOIZYOXGDBCB-QWRGUYRKSA-N 0 1 278.396 3.633 20 0 CHADMN C[C@@]1(c2ccccc2)CC[C@H](N2CCOC3(CCC3)C2)C1 ZINC000438128717 1122681405 /nfs/dbraw/zinc/68/14/05/1122681405.db2.gz PLHGAMVSNJEHBK-ZWKOTPCHSA-N 0 1 285.431 3.752 20 0 CHADMN C[C@@H](NCc1nc(C2CCC2)no1)C1CCCCCC1 ZINC001193260939 1122682155 /nfs/dbraw/zinc/68/21/55/1122682155.db2.gz LUVAYEQWKQGBNB-GFCCVEGCSA-N 0 1 277.412 3.786 20 0 CHADMN O[C@H](CC1CCCC1)CN1CCc2cc(Cl)ccc2C1 ZINC001193345767 1122684868 /nfs/dbraw/zinc/68/48/68/1122684868.db2.gz FJSJBLKDAGJBAF-QGZVFWFLSA-N 0 1 293.838 3.639 20 0 CHADMN Cc1cccc([C@H](C)NC(=O)c2ccc(O)c(Cl)c2)c1 ZINC001152114422 1122686690 /nfs/dbraw/zinc/68/66/90/1122686690.db2.gz YIERBUYTLQECPW-NSHDSACASA-N 0 1 289.762 3.845 20 0 CHADMN CC(C)N(C)c1ccccc1CNCc1ccccc1F ZINC000438343132 1122693517 /nfs/dbraw/zinc/69/35/17/1122693517.db2.gz BBCZSSRFMYHMCB-UHFFFAOYSA-N 0 1 286.394 3.960 20 0 CHADMN CN(CCC1CCCCC1)C(=O)c1[nH]nc2ccccc21 ZINC000506217939 1122695852 /nfs/dbraw/zinc/69/58/52/1122695852.db2.gz YAHJYGNGRFKWLL-UHFFFAOYSA-N 0 1 285.391 3.605 20 0 CHADMN Cc1ccccc1OCCCN1CCOC[C@@H]1CC(C)C ZINC000506266962 1122707930 /nfs/dbraw/zinc/70/79/30/1122707930.db2.gz GJJVXJRTGHXFKB-KRWDZBQOSA-N 0 1 291.435 3.511 20 0 CHADMN Cc1ccc2cc([C@H](C)N[C@@H](C)c3cnn(C)c3)oc2c1 ZINC000426053982 1122708860 /nfs/dbraw/zinc/70/88/60/1122708860.db2.gz ZMSLDVMVFFXSDW-STQMWFEESA-N 0 1 283.375 3.887 20 0 CHADMN Cc1nocc1CN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000293668476 1122716926 /nfs/dbraw/zinc/71/69/26/1122716926.db2.gz URBNWQILBVVPSY-HNNXBMFYSA-N 0 1 276.355 3.999 20 0 CHADMN Cc1ncoc1CN[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000894362621 1122719081 /nfs/dbraw/zinc/71/90/81/1122719081.db2.gz WPZJONJFHFOWSI-INIZCTEOSA-N 0 1 274.339 3.671 20 0 CHADMN Fc1ccccc1CCN1CC[C@](F)(c2ccccc2)C1 ZINC001193828551 1122722586 /nfs/dbraw/zinc/72/25/86/1122722586.db2.gz RCDGJQNOFUBCLV-GOSISDBHSA-N 0 1 287.353 3.939 20 0 CHADMN Cc1cc(C)cc(CN2CCO[C@H](c3ccccc3)C2)c1 ZINC000506358360 1122723782 /nfs/dbraw/zinc/72/37/82/1122723782.db2.gz YDBYVOLTNHPPPP-IBGZPJMESA-N 0 1 281.399 3.877 20 0 CHADMN COc1cc(C)ccc1CN[C@H]1CCCc2ccc(O)cc21 ZINC000438822723 1122729213 /nfs/dbraw/zinc/72/92/13/1122729213.db2.gz ACDFMEQEFOXPCJ-SFHVURJKSA-N 0 1 297.398 3.876 20 0 CHADMN C[C@H]1COC(C)(C)CN1CCSC1CCCCC1 ZINC001194083196 1122746171 /nfs/dbraw/zinc/74/61/71/1122746171.db2.gz QUIFTIQYZRMOLB-ZDUSSCGKSA-N 0 1 271.470 3.552 20 0 CHADMN CCCc1csc(CN2CC[C@](C)(CC)C2)n1 ZINC000426417466 1122788764 /nfs/dbraw/zinc/78/87/64/1122788764.db2.gz RPUZTBFCSPXYKD-AWEZNQCLSA-N 0 1 252.427 3.718 20 0 CHADMN CCOc1cc(F)c(CN2C[C@@H]3CCCC[C@@H]3C2)c(F)c1 ZINC001143565581 1122760435 /nfs/dbraw/zinc/76/04/35/1122760435.db2.gz ZMJGJLKWKWXJGX-BETUJISGSA-N 0 1 295.373 3.986 20 0 CHADMN Cc1ccoc1CN[C@H]1CCCOc2ccc(C)cc21 ZINC000426333103 1122765723 /nfs/dbraw/zinc/76/57/23/1122765723.db2.gz GJLQFGXDSWEMAX-HNNXBMFYSA-N 0 1 271.360 3.900 20 0 CHADMN CN(Cc1csc(C2CCCC2)n1)[C@H]1CC[C@H](O)CC1 ZINC000439299354 1122769811 /nfs/dbraw/zinc/76/98/11/1122769811.db2.gz WWGSPYXJHDTGRY-SHTZXODSSA-N 0 1 294.464 3.536 20 0 CHADMN COc1ccc2c(c1)CN([C@H](C)c1ccccc1)CCO2 ZINC001194417981 1122774451 /nfs/dbraw/zinc/77/44/51/1122774451.db2.gz MFRXJLVXCJJWCL-CQSZACIVSA-N 0 1 283.371 3.651 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)CCS1 ZINC000426377397 1122776710 /nfs/dbraw/zinc/77/67/10/1122776710.db2.gz NFLATWPYJGVILQ-LLVKDONJSA-N 0 1 278.396 3.634 20 0 CHADMN C[C@H]1CCN(Cc2cc3c(cccc3F)[nH]2)CCS1 ZINC000426376437 1122777421 /nfs/dbraw/zinc/77/74/21/1122777421.db2.gz DVNXVKYUROMXRS-NSHDSACASA-N 0 1 278.396 3.634 20 0 CHADMN Fc1cccc2c3c([nH]c21)CN(CCC1CC1)CCC3 ZINC000439466253 1122780856 /nfs/dbraw/zinc/78/08/56/1122780856.db2.gz GWYOJTFKPAQGDU-UHFFFAOYSA-N 0 1 272.367 3.855 20 0 CHADMN Cc1cc(CNCc2ccc3ccccc3n2)ccc1F ZINC000073516175 1122784323 /nfs/dbraw/zinc/78/43/23/1122784323.db2.gz UGLZPIUQVXOEIT-UHFFFAOYSA-N 0 1 280.346 3.972 20 0 CHADMN C[C@H](c1ccccc1)N(Cc1nnc[nH]1)Cc1ccccc1 ZINC001194626706 1122786793 /nfs/dbraw/zinc/78/67/93/1122786793.db2.gz RYEHMOYEIUHNIQ-OAHLLOKOSA-N 0 1 292.386 3.568 20 0 CHADMN C[N@@H+](Cc1cccnc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000183659935 1129078692 /nfs/dbraw/zinc/07/86/92/1129078692.db2.gz SKRNNIBCYDSHDE-UHFFFAOYSA-N 0 1 297.185 3.726 20 0 CHADMN CCOc1ccc(CN2CCC=C(c3ccco3)C2)o1 ZINC000894391311 1122812512 /nfs/dbraw/zinc/81/25/12/1122812512.db2.gz OSPNLARBHZFBJH-UHFFFAOYSA-N 0 1 273.332 3.561 20 0 CHADMN C[N@@H+](Cc1cc(O)ccc1Br)C1(C)CCCC1 ZINC000426532249 1122813830 /nfs/dbraw/zinc/81/38/30/1122813830.db2.gz KRAYPMDKGWXFOO-UHFFFAOYSA-N 0 1 298.224 3.919 20 0 CHADMN CN(Cc1cc(O)ccc1Br)C1(C)CCCC1 ZINC000426532249 1122813843 /nfs/dbraw/zinc/81/38/43/1122813843.db2.gz KRAYPMDKGWXFOO-UHFFFAOYSA-N 0 1 298.224 3.919 20 0 CHADMN CCOc1cccc(CN(C)[C@H]2CC2(C)C)c1OC(F)F ZINC000426564812 1122821770 /nfs/dbraw/zinc/82/17/70/1122821770.db2.gz IQTJLRXTWFRQNF-ZDUSSCGKSA-N 0 1 299.361 3.917 20 0 CHADMN CC[C@H](N[C@H](C)c1ccnnc1)c1ccc(Cl)s1 ZINC000925067941 1122832102 /nfs/dbraw/zinc/83/21/02/1122832102.db2.gz RAWSPBXYDSXTKV-KOLCDFICSA-N 0 1 281.812 3.993 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)Oc1ccc(F)cc1 ZINC001195036311 1122834120 /nfs/dbraw/zinc/83/41/20/1122834120.db2.gz YQMYGCGOEPRAEG-UHFFFAOYSA-N 0 1 281.670 3.796 20 0 CHADMN c1ncc(CNc2ccc3nc(C4CC4)sc3c2)[nH]1 ZINC000894404575 1122843123 /nfs/dbraw/zinc/84/31/23/1122843123.db2.gz XHWYIOUNUMWTKZ-UHFFFAOYSA-N 0 1 270.361 3.509 20 0 CHADMN CCOc1ccc(C2=CCN(Cc3ocnc3C)CC2)cc1 ZINC000894424718 1122850017 /nfs/dbraw/zinc/85/00/17/1122850017.db2.gz LQNRRUFGULOWRW-UHFFFAOYSA-N 0 1 298.386 3.671 20 0 CHADMN C[C@H]1CN(Cc2cn(C)nc2C(C)(C)C)Cc2ccccc21 ZINC000775645719 1122852949 /nfs/dbraw/zinc/85/29/49/1122852949.db2.gz GFFZEZGYBSLBCE-AWEZNQCLSA-N 0 1 297.446 3.837 20 0 CHADMN CCC[C@H](C)N(C)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000473637408 1122854973 /nfs/dbraw/zinc/85/49/73/1122854973.db2.gz JXKFNLGWRKEQEG-AWEZNQCLSA-N 0 1 299.418 3.954 20 0 CHADMN C[C@@H](c1cccnc1)N(C)Cc1cccc2c1NCCC2 ZINC000894449190 1122855372 /nfs/dbraw/zinc/85/53/72/1122855372.db2.gz OYRLYGNWYMOLDH-AWEZNQCLSA-N 0 1 281.403 3.633 20 0 CHADMN Cc1ccc([C@H](C)NC(=O)c2ccc(O)c(Cl)c2)s1 ZINC000048743240 1122863158 /nfs/dbraw/zinc/86/31/58/1122863158.db2.gz KNVCQBPUIFBNGB-VIFPVBQESA-N 0 1 295.791 3.907 20 0 CHADMN COc1ccc(CN(Cc2ccccn2)C2CC2)c(C)c1 ZINC000894489964 1122863349 /nfs/dbraw/zinc/86/33/49/1122863349.db2.gz IVSCRDVRXWWGKX-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN CC[C@H](NCc1ccc(C)nc1C)c1ccccc1OC ZINC000775651584 1122868473 /nfs/dbraw/zinc/86/84/73/1122868473.db2.gz YCAZMBFVXGZBNF-KRWDZBQOSA-N 0 1 284.403 3.948 20 0 CHADMN COc1cccc([C@@H](C)N(C)Cc2cnc(C(C)C)nc2)c1 ZINC000440456147 1122868484 /nfs/dbraw/zinc/86/84/84/1122868484.db2.gz LAESSJRTGNUSDX-CQSZACIVSA-N 0 1 299.418 3.802 20 0 CHADMN Cc1cnc(CCN2CC(C)(C)[C@@H]2c2ccncc2)c(C)c1 ZINC000664830519 1122872381 /nfs/dbraw/zinc/87/23/81/1122872381.db2.gz VTMHOTLXUBKJTF-SFHVURJKSA-N 0 1 295.430 3.719 20 0 CHADMN Cc1cc[nH]c1C(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001195495846 1122873073 /nfs/dbraw/zinc/87/30/73/1122873073.db2.gz OLKYRNGBDOCVIM-UHFFFAOYSA-N 0 1 285.130 3.588 20 0 CHADMN Cc1noc2ncc(CN(C)Cc3ccc(F)cc3C)cc12 ZINC000894556406 1122873153 /nfs/dbraw/zinc/87/31/53/1122873153.db2.gz YRICFVCXENBLAG-UHFFFAOYSA-N 0 1 299.349 3.611 20 0 CHADMN C=C/C=C/CCN[C@@H](Cc1ccccc1)c1ncco1 ZINC001195557744 1122873551 /nfs/dbraw/zinc/87/35/51/1122873551.db2.gz KLNHHOHSDIADCX-CWDCEQMOSA-N 0 1 268.360 3.680 20 0 CHADMN Fc1cc(CN2CC(C3CC3)C2)ccc1C(F)F ZINC000894567203 1122875148 /nfs/dbraw/zinc/87/51/48/1122875148.db2.gz UFEKMROCLCIZNT-UHFFFAOYSA-N 0 1 255.283 3.605 20 0 CHADMN c1cn(C2CC2)c(CN2CCC[C@H](c3ccccc3)C2)n1 ZINC000894600201 1122877508 /nfs/dbraw/zinc/87/75/08/1122877508.db2.gz BJOLUSYVWJURPG-INIZCTEOSA-N 0 1 281.403 3.598 20 0 CHADMN Cc1cc(CNCc2ccc(C(C)(F)F)cc2)cnc1F ZINC000894611647 1122881055 /nfs/dbraw/zinc/88/10/55/1122881055.db2.gz WEPYTHHGCSMZFZ-UHFFFAOYSA-N 0 1 294.320 3.931 20 0 CHADMN C[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CC2(CCCC2)O1 ZINC001195799027 1122888941 /nfs/dbraw/zinc/88/89/41/1122888941.db2.gz SCWCROVQTSEPIF-CXAGYDPISA-N 0 1 289.394 3.847 20 0 CHADMN C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)CC2(CCCC2)O1 ZINC001195799027 1122888946 /nfs/dbraw/zinc/88/89/46/1122888946.db2.gz SCWCROVQTSEPIF-CXAGYDPISA-N 0 1 289.394 3.847 20 0 CHADMN C[C@H]1CCCC[C@H]1OCCN(C)Cc1ccsc1 ZINC000058563232 1122892360 /nfs/dbraw/zinc/89/23/60/1122892360.db2.gz XMZHOPDFWZPPMN-DZGCQCFKSA-N 0 1 267.438 3.775 20 0 CHADMN CC[C@H]1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)C1 ZINC000440468635 1122893177 /nfs/dbraw/zinc/89/31/77/1122893177.db2.gz JBRGFQZLHFGDSU-AWEZNQCLSA-N 0 1 297.402 3.566 20 0 CHADMN CSc1ccc2nc(-c3c[nH]nc3C(F)(F)F)[nH]c2c1 ZINC001250923993 1122895837 /nfs/dbraw/zinc/89/58/37/1122895837.db2.gz HZULMGFFJGVYBM-UHFFFAOYSA-N 0 1 298.293 3.694 20 0 CHADMN Cc1ccncc1CNCc1ccc(C(F)F)c(F)c1 ZINC000894730547 1122898039 /nfs/dbraw/zinc/89/80/39/1122898039.db2.gz JCCCFPPCAQXRNU-UHFFFAOYSA-N 0 1 280.293 3.757 20 0 CHADMN C[C@@H]1CCC[C@@H](CN2Cc3ccccc3NC(=O)[C@H]2C)C1 ZINC001196014751 1122901905 /nfs/dbraw/zinc/90/19/05/1122901905.db2.gz XQYGEMFAEUBREG-RBSFLKMASA-N 0 1 286.419 3.656 20 0 CHADMN CCc1ccc(CN2CCc3cc(OC)ccc3C2)cc1 ZINC001196168245 1122909744 /nfs/dbraw/zinc/90/97/44/1122909744.db2.gz VHXNVYNITIZDCH-UHFFFAOYSA-N 0 1 281.399 3.816 20 0 CHADMN Cc1sccc1CN1CCN(c2ccccc2C)CC1 ZINC000506996035 1122917727 /nfs/dbraw/zinc/91/77/27/1122917727.db2.gz ZCIAIPRRMQQLAO-UHFFFAOYSA-N 0 1 286.444 3.687 20 0 CHADMN C[C@H]1c2ccccc2C[N@@H+]1C[C@H]1COC2(CCCCC2)O1 ZINC001196497769 1122924675 /nfs/dbraw/zinc/92/46/75/1122924675.db2.gz HLXBMJFMAIEHFY-HOCLYGCPSA-N 0 1 287.403 3.639 20 0 CHADMN C[C@H]1c2ccccc2CN1C[C@H]1COC2(CCCCC2)O1 ZINC001196497769 1122924679 /nfs/dbraw/zinc/92/46/79/1122924679.db2.gz HLXBMJFMAIEHFY-HOCLYGCPSA-N 0 1 287.403 3.639 20 0 CHADMN CCCC(C)(C)CC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000426939121 1122924935 /nfs/dbraw/zinc/92/49/35/1122924935.db2.gz DJBNCSSSWHHWAI-UHFFFAOYSA-N 0 1 273.327 3.811 20 0 CHADMN Cc1ccccc1CCCN1CCOc2cc(F)ccc2C1 ZINC001196605528 1122927042 /nfs/dbraw/zinc/92/70/42/1122927042.db2.gz NETXEBCVOZIGCL-UHFFFAOYSA-N 0 1 299.389 3.961 20 0 CHADMN COc1ccc(CN2CCC(CCF)CC2)cc1Cl ZINC001196758637 1122931308 /nfs/dbraw/zinc/93/13/08/1122931308.db2.gz HFGNVUFPCIWCFY-UHFFFAOYSA-N 0 1 285.790 3.920 20 0 CHADMN CCc1ccc(CN(Cc2ccnc(C)n2)C2CC2)cc1 ZINC000507170425 1122934729 /nfs/dbraw/zinc/93/47/29/1122934729.db2.gz NPFYLJRCEVIDIY-UHFFFAOYSA-N 0 1 281.403 3.512 20 0 CHADMN Cc1c(C)c(C)c(CN2CCO[C@H](CCF)C2)c(C)c1C ZINC001196888033 1122936237 /nfs/dbraw/zinc/93/62/37/1122936237.db2.gz LFPPHNPHYSSZSY-QGZVFWFLSA-N 0 1 293.426 3.789 20 0 CHADMN CCCn1cc(CN(Cc2ccc(F)cc2)C(C)C)cn1 ZINC000507174934 1122936840 /nfs/dbraw/zinc/93/68/40/1122936840.db2.gz TZHZRZHRGMMZAO-UHFFFAOYSA-N 0 1 289.398 3.843 20 0 CHADMN CSCc1cnc(C[N@H+]2CCC[C@@H]2C(C)C)s1 ZINC000507221601 1122939757 /nfs/dbraw/zinc/93/97/57/1122939757.db2.gz MBNFODSCGLPHGP-GFCCVEGCSA-N 0 1 270.467 3.627 20 0 CHADMN CSCc1cnc(CN2CCC[C@@H]2C(C)C)s1 ZINC000507221601 1122939761 /nfs/dbraw/zinc/93/97/61/1122939761.db2.gz MBNFODSCGLPHGP-GFCCVEGCSA-N 0 1 270.467 3.627 20 0 CHADMN Cc1noc(CN[C@H]2CCC(C)(C)C[C@@H]2c2ccccc2)n1 ZINC001197204192 1122948047 /nfs/dbraw/zinc/94/80/47/1122948047.db2.gz XLBHYEPQJVLOTP-CVEARBPZSA-N 0 1 299.418 3.830 20 0 CHADMN Cc1cc(CN(C)Cc2ccc3cc[nH]c3c2)ccn1 ZINC001197212623 1122948648 /nfs/dbraw/zinc/94/86/48/1122948648.db2.gz UQEDEYUKQSGBHX-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN C[C@H](C1CC1)[N@H+](Cc1cccc([O-])c1Cl)C1CC1 ZINC000507353948 1122949136 /nfs/dbraw/zinc/94/91/36/1122949136.db2.gz CCVKOWLYAHNHGE-SNVBAGLBSA-N 0 1 265.784 3.809 20 0 CHADMN C[C@H](C1CC1)[N@@H+](Cc1cccc([O-])c1Cl)C1CC1 ZINC000507353948 1122949140 /nfs/dbraw/zinc/94/91/40/1122949140.db2.gz CCVKOWLYAHNHGE-SNVBAGLBSA-N 0 1 265.784 3.809 20 0 CHADMN Cc1nc(CCN[C@@H](C)c2csc(C(C)C)n2)c(C)o1 ZINC000519606060 1122955675 /nfs/dbraw/zinc/95/56/75/1122955675.db2.gz NGOAVVZIBOFXRP-JTQLQIEISA-N 0 1 293.436 3.765 20 0 CHADMN C[C@H]1c2ccc(F)cc2CCN1CCOCC1CCCC1 ZINC001197498169 1122959259 /nfs/dbraw/zinc/95/92/59/1122959259.db2.gz XYKQDVMKIKGXCE-AWEZNQCLSA-N 0 1 291.410 3.952 20 0 CHADMN Cc1ccsc1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000334224380 1122967455 /nfs/dbraw/zinc/96/74/55/1122967455.db2.gz AJOAZSYPZUKECE-UHFFFAOYSA-N 0 1 285.727 3.807 20 0 CHADMN COc1cc(CNCc2ccc(C(C)C)cc2)sn1 ZINC000399027842 1129089692 /nfs/dbraw/zinc/08/96/92/1129089692.db2.gz IKEIULNOUYFRBX-UHFFFAOYSA-N 0 1 276.405 3.565 20 0 CHADMN Cc1ccccc1NC(=O)CN(C)CCC1CCCCC1 ZINC000507619125 1122977219 /nfs/dbraw/zinc/97/72/19/1122977219.db2.gz XOIWSTXBUBBUBA-UHFFFAOYSA-N 0 1 288.435 3.836 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3C[C@H](C)C[C@@H]3C)n[nH]2)c(C)c1 ZINC000427459489 1122978578 /nfs/dbraw/zinc/97/85/78/1122978578.db2.gz NDYJUGHIRYHDHR-OCCSQVGLSA-N 0 1 297.402 3.564 20 0 CHADMN CC(C)c1ccc(C(=O)N2CCC(c3cnc[nH]3)CC2)cc1 ZINC000334265901 1122979427 /nfs/dbraw/zinc/97/94/27/1122979427.db2.gz MXKJUOMYPMYZSF-UHFFFAOYSA-N 0 1 297.402 3.553 20 0 CHADMN CCCCC[N@@H+](Cc1ccc(C(=O)[O-])cn1)[C@@H](C)CCC ZINC000578995289 1122980670 /nfs/dbraw/zinc/98/06/70/1122980670.db2.gz HJPBKLJULPZZQD-AWEZNQCLSA-N 0 1 292.423 3.961 20 0 CHADMN COc1cc(CN(C)CCCc2ccc(C)cc2)sn1 ZINC001198122602 1122981451 /nfs/dbraw/zinc/98/14/51/1122981451.db2.gz PTOYHELGAHSXIM-UHFFFAOYSA-N 0 1 290.432 3.525 20 0 CHADMN c1cc(C2CCC2)ccc1CN1CCO[C@@H]2CCC[C@H]21 ZINC000507660624 1122983909 /nfs/dbraw/zinc/98/39/09/1122983909.db2.gz OOTTYZDMUMPFEA-QZTJIDSGSA-N 0 1 271.404 3.707 20 0 CHADMN c1ccc2cc(CN3CCO[C@H]4CCC[C@@H]43)ccc2c1 ZINC000507698810 1122988039 /nfs/dbraw/zinc/98/80/39/1122988039.db2.gz AKGMEOKQXHNOPO-ROUUACIJSA-N 0 1 267.372 3.593 20 0 CHADMN CC(C)(C)c1cc2n(n1)CCN(CCCc1ccccc1)C2 ZINC001198363341 1122988824 /nfs/dbraw/zinc/98/88/24/1122988824.db2.gz NQGLNDVSZCOUJF-UHFFFAOYSA-N 0 1 297.446 3.629 20 0 CHADMN Cc1ccccc1NC(=S)Nc1ccc(F)c(F)c1O ZINC001198431476 1122991547 /nfs/dbraw/zinc/99/15/47/1122991547.db2.gz OWUJEEDXYSGLAE-UHFFFAOYSA-N 0 1 294.326 3.788 20 0 CHADMN CCCc1ccc([C@H](C)NCc2cccnc2N(C)C)cc1 ZINC000154756890 1129091863 /nfs/dbraw/zinc/09/18/63/1129091863.db2.gz XZWNYBWVHRMEEK-HNNXBMFYSA-N 0 1 297.446 3.951 20 0 CHADMN CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000775869468 1122997064 /nfs/dbraw/zinc/99/70/64/1122997064.db2.gz VYVIZWAPEDYHHW-PBHICJAKSA-N 0 1 292.398 3.508 20 0 CHADMN CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000775869477 1122997094 /nfs/dbraw/zinc/99/70/94/1122997094.db2.gz VYVIZWAPEDYHHW-YOEHRIQHSA-N 0 1 292.398 3.508 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H]1CSc2ccccc21 ZINC000334372892 1122998809 /nfs/dbraw/zinc/99/88/09/1122998809.db2.gz SEUVJERPZFKIDT-SWLSCSKDSA-N 0 1 270.401 3.888 20 0 CHADMN ClC1(Cl)C[C@@H]1CN1Cc2ccccc2C2(CC2)C1 ZINC000775871508 1122999114 /nfs/dbraw/zinc/99/91/14/1122999114.db2.gz KFXJMZHHKMKHPS-GFCCVEGCSA-N 0 1 282.214 3.728 20 0 CHADMN Cc1ncoc1CN[C@@H](C)c1cccc(C2CC2)c1 ZINC000894868243 1123001719 /nfs/dbraw/zinc/00/17/19/1123001719.db2.gz XIEHKLZQRKSLEV-NSHDSACASA-N 0 1 256.349 3.711 20 0 CHADMN COc1ccc(OC)c(CN2[C@H](C)CCC[C@H]2C)c1F ZINC001237567954 1129092573 /nfs/dbraw/zinc/09/25/73/1129092573.db2.gz IOXCQLVOCXLZSC-VXGBXAGGSA-N 0 1 281.371 3.606 20 0 CHADMN Cc1cn(C)nc1CN1CCCCC12CCCCCC2 ZINC001198743707 1123007761 /nfs/dbraw/zinc/00/77/61/1123007761.db2.gz WRRFJGYSKDJTQZ-UHFFFAOYSA-N 0 1 275.440 3.807 20 0 CHADMN CC[C@H](NCc1cccnc1N(C)C)c1ccc(F)cc1 ZINC000154795571 1129092969 /nfs/dbraw/zinc/09/29/69/1129092969.db2.gz XTMRNUGUMBNZFB-INIZCTEOSA-N 0 1 287.382 3.528 20 0 CHADMN CC[C@H](F)CN1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000440526016 1123010536 /nfs/dbraw/zinc/01/05/36/1123010536.db2.gz WMIYQJLHGXOFAP-OBJOEFQTSA-N 0 1 265.372 3.751 20 0 CHADMN CCCOc1cccc(CN2CCc3cc(O)ccc3C2)c1 ZINC001198829066 1123010923 /nfs/dbraw/zinc/01/09/23/1123010923.db2.gz NPDOTPIJCZYDDF-UHFFFAOYSA-N 0 1 297.398 3.739 20 0 CHADMN Clc1cccnc1CN1CC=CC12CCCCC2 ZINC001198799922 1123011523 /nfs/dbraw/zinc/01/15/23/1123011523.db2.gz FQLPHBFDHBAGCH-UHFFFAOYSA-N 0 1 262.784 3.810 20 0 CHADMN CC[C@H](F)CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000440573879 1123017172 /nfs/dbraw/zinc/01/71/72/1123017172.db2.gz IYJCQIXKIFMRBS-LAUAKBEESA-N 0 1 277.368 3.815 20 0 CHADMN CC[C@@H](F)CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000440573878 1123017528 /nfs/dbraw/zinc/01/75/28/1123017528.db2.gz IYJCQIXKIFMRBS-JLVNDZCYSA-N 0 1 277.368 3.815 20 0 CHADMN Cc1n[nH]cc1CNCc1ccc(-c2cccs2)cc1 ZINC001199197025 1123023126 /nfs/dbraw/zinc/02/31/26/1123023126.db2.gz DLCMUDVUZSBNPL-UHFFFAOYSA-N 0 1 283.400 3.736 20 0 CHADMN CCC(CC)n1ccc(CN(C)[C@H](C)CCSC)n1 ZINC000440621111 1123023973 /nfs/dbraw/zinc/02/39/73/1123023973.db2.gz XVSCIVFOGFDTPC-CYBMUJFWSA-N 0 1 283.485 3.818 20 0 CHADMN c1nc(C2CC2)sc1CNCc1ccc2c(c1)CCC2 ZINC001199309389 1123026710 /nfs/dbraw/zinc/02/67/10/1123026710.db2.gz HDISGGOXUOZGTD-UHFFFAOYSA-N 0 1 284.428 3.799 20 0 CHADMN CC[C@H](F)CN1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000440688905 1123027900 /nfs/dbraw/zinc/02/79/00/1123027900.db2.gz AIRRZMVWUSWCKK-UONOGXRCSA-N 0 1 281.371 3.589 20 0 CHADMN c1cc2c(c(CNCc3ccc4c(c3)CCC4)n1)CCCC2 ZINC001199321096 1123028318 /nfs/dbraw/zinc/02/83/18/1123028318.db2.gz VGZKMKCJXPLNSR-UHFFFAOYSA-N 0 1 292.426 3.739 20 0 CHADMN CC[C@H](F)CN1CC=C(c2ccc(F)cc2)CC1 ZINC000440694362 1123030390 /nfs/dbraw/zinc/03/03/90/1123030390.db2.gz CIJHCZXHQSEETF-AWEZNQCLSA-N 0 1 251.320 3.663 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2scnc2C2CCCC2)n1 ZINC000843154788 1123030461 /nfs/dbraw/zinc/03/04/61/1123030461.db2.gz ZWQJHJZLKWIVDJ-JTQLQIEISA-N 0 1 292.408 3.507 20 0 CHADMN COc1ccc(NCc2cnc(-c3ccccc3)[nH]2)cc1 ZINC001199491603 1123031287 /nfs/dbraw/zinc/03/12/87/1123031287.db2.gz TUBFKZZZQWSFMF-UHFFFAOYSA-N 0 1 279.343 3.697 20 0 CHADMN CCC(CC)(CC)NCc1nc([C@@H](C)OCC(C)C)no1 ZINC000440731385 1123032231 /nfs/dbraw/zinc/03/22/31/1123032231.db2.gz YWRFCEADUANUOY-CYBMUJFWSA-N 0 1 297.443 3.862 20 0 CHADMN Cc1ccc(-c2ncc(CN3C[C@H]4CCC[C@H]43)s2)o1 ZINC000353898760 1123032594 /nfs/dbraw/zinc/03/25/94/1123032594.db2.gz LGBCKINRXDAPGI-DGCLKSJQSA-N 0 1 274.389 3.696 20 0 CHADMN CC[C@H](O)CN(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000440719493 1123033453 /nfs/dbraw/zinc/03/34/53/1123033453.db2.gz XZTKHYCXUUGGIU-ONGXEEELSA-N 0 1 276.207 3.757 20 0 CHADMN CCOc1ccc([C@H](C)NC[C@H](F)CC)cc1OCC ZINC000440771138 1123035939 /nfs/dbraw/zinc/03/59/39/1123035939.db2.gz MOLSYSIRTRAMSZ-GXTWGEPZSA-N 0 1 283.387 3.883 20 0 CHADMN CC[C@@H](F)C[N@@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000440760269 1123037623 /nfs/dbraw/zinc/03/76/23/1123037623.db2.gz DEDAWVCXXSBAPK-ZYHUDNBSSA-N 0 1 256.390 3.509 20 0 CHADMN CC[C@@H](F)CN(C)[C@@H]1CCCc2nc(C)sc21 ZINC000440760269 1123037628 /nfs/dbraw/zinc/03/76/28/1123037628.db2.gz DEDAWVCXXSBAPK-ZYHUDNBSSA-N 0 1 256.390 3.509 20 0 CHADMN CCOc1ccc(CNCc2c(C)cc(C)cc2C)o1 ZINC001199831079 1123042501 /nfs/dbraw/zinc/04/25/01/1123042501.db2.gz YGVHWVPTXUPSEG-UHFFFAOYSA-N 0 1 273.376 3.893 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2nccnc2C)cc1F ZINC000188136440 1123048229 /nfs/dbraw/zinc/04/82/29/1123048229.db2.gz LZEIVEWAMRDKBM-AAEUAGOBSA-N 0 1 273.355 3.644 20 0 CHADMN CCCc1ccccc1NC(=O)c1cc(F)cc2[nH]cnc21 ZINC000129446669 1123052472 /nfs/dbraw/zinc/05/24/72/1123052472.db2.gz QHIBLJMJRNQOAD-UHFFFAOYSA-N 0 1 297.333 3.907 20 0 CHADMN COc1cccc([C@@H](C)N2CCc3ccc(F)cc3C2)c1 ZINC000441029897 1123053264 /nfs/dbraw/zinc/05/32/64/1123053264.db2.gz NFAKZPYJIYYOLF-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN CC(C)Cn1ccnc1CN[C@@H]1CCCc2ccccc21 ZINC000164839239 1123055448 /nfs/dbraw/zinc/05/54/48/1123055448.db2.gz OJTDUVCFXQJKOA-QGZVFWFLSA-N 0 1 283.419 3.706 20 0 CHADMN CSC[C@@H](C)N[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000925096488 1123055698 /nfs/dbraw/zinc/05/56/98/1123055698.db2.gz OBAZXUDENHURRU-PBHICJAKSA-N 0 1 286.444 3.821 20 0 CHADMN Cc1cccc2c1N(C(=O)c1cccc(F)c1O)CC[C@H]2C ZINC001273867346 1123065026 /nfs/dbraw/zinc/06/50/26/1123065026.db2.gz NQBUHYIURHLTOR-LLVKDONJSA-N 0 1 299.345 3.994 20 0 CHADMN COc1ccc(C2(NCc3cc(C)ccc3OC)CC2)cc1 ZINC000520247496 1123067880 /nfs/dbraw/zinc/06/78/80/1123067880.db2.gz LNJLYHBDHLGUMO-UHFFFAOYSA-N 0 1 297.398 3.791 20 0 CHADMN Cc1ccc(-c2nc(CN(C)CCC3CC3)cs2)o1 ZINC000441252883 1123071428 /nfs/dbraw/zinc/07/14/28/1123071428.db2.gz GWKKGWBQDKKKBC-UHFFFAOYSA-N 0 1 276.405 3.943 20 0 CHADMN c1sc2ccccc2c1CNc1ccc2nn[nH]c2c1 ZINC001201151510 1123076205 /nfs/dbraw/zinc/07/62/05/1123076205.db2.gz XTQSUOKLPYGWPG-UHFFFAOYSA-N 0 1 280.356 3.785 20 0 CHADMN c1sc2ccccc2c1CNc1ccc2n[nH]nc2c1 ZINC001201151510 1123076209 /nfs/dbraw/zinc/07/62/09/1123076209.db2.gz XTQSUOKLPYGWPG-UHFFFAOYSA-N 0 1 280.356 3.785 20 0 CHADMN CC(C)c1nc(CNCc2ccccc2)c2ccccn21 ZINC000520332167 1123076324 /nfs/dbraw/zinc/07/63/24/1123076324.db2.gz BFVKDAYBGBZIKA-UHFFFAOYSA-N 0 1 279.387 3.748 20 0 CHADMN Clc1ccnc(Cl)c1NC1=CCSCC1 ZINC001201331271 1123084766 /nfs/dbraw/zinc/08/47/66/1123084766.db2.gz BGNLKRGPAYAJMA-UHFFFAOYSA-N 0 1 261.177 3.821 20 0 CHADMN Cc1ccc(F)cc1CNc1ccc2c[nH]nc2c1 ZINC000083409860 1123086175 /nfs/dbraw/zinc/08/61/75/1123086175.db2.gz SDSQOIIRHFGRND-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN Cc1cnc(NC2=CCSCC2)c(Br)c1 ZINC001201327318 1123087434 /nfs/dbraw/zinc/08/74/34/1123087434.db2.gz SGSNZRARBINPAZ-UHFFFAOYSA-N 0 1 285.210 3.585 20 0 CHADMN CCN(c1ccc(NCc2nc(C)ccc2O)cc1)C(C)C ZINC001201339016 1123088681 /nfs/dbraw/zinc/08/86/81/1123088681.db2.gz UFNSQJMCSCGFFC-UHFFFAOYSA-N 0 1 299.418 3.942 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(Cl)c(OC(C)C)c1 ZINC001201382260 1123094373 /nfs/dbraw/zinc/09/43/73/1123094373.db2.gz HAPAXECPOLBVJY-UHFFFAOYSA-N 0 1 279.771 3.913 20 0 CHADMN CC(C)Oc1cc(Nc2ccnc(CO)c2)ccc1Cl ZINC001201382367 1123095597 /nfs/dbraw/zinc/09/55/97/1123095597.db2.gz JWVAJYCWWBGIRJ-UHFFFAOYSA-N 0 1 292.766 3.758 20 0 CHADMN N=C(N)N(c1ccc(F)cc1)c1cc(F)cc2cccnc21 ZINC001167992685 1123096718 /nfs/dbraw/zinc/09/67/18/1123096718.db2.gz SPPPZQODHFUDNO-UHFFFAOYSA-N 0 1 298.296 3.545 20 0 CHADMN CC1(CC(F)(F)F)CN(Cc2cccc3c2NCCC3)C1 ZINC000894980466 1123096994 /nfs/dbraw/zinc/09/69/94/1123096994.db2.gz PZQKGHVSDFEKFU-UHFFFAOYSA-N 0 1 298.352 3.819 20 0 CHADMN Cc1ncc(CNCc2ccccc2COC(C)C)s1 ZINC001648956744 1123099318 /nfs/dbraw/zinc/09/93/18/1123099318.db2.gz SLWWFYZDRKKNQR-UHFFFAOYSA-N 0 1 290.432 3.666 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1ccc2c(c1)COC2 ZINC000537963479 1123102004 /nfs/dbraw/zinc/10/20/04/1123102004.db2.gz MPXYEYSAWLCNTI-AWEZNQCLSA-N 0 1 297.398 3.885 20 0 CHADMN C[C@H]1CCCN1C/C(Br)=C/c1ccccc1 ZINC001201447127 1123106831 /nfs/dbraw/zinc/10/68/31/1123106831.db2.gz NBKVBRSMLSQDIT-GVIGZQTCSA-N 0 1 280.209 3.907 20 0 CHADMN CCCCOc1ccc(Nc2cncn2C)cc1Cl ZINC001201481812 1123114663 /nfs/dbraw/zinc/11/46/63/1123114663.db2.gz WPYRELPPLUSSKY-UHFFFAOYSA-N 0 1 279.771 3.996 20 0 CHADMN CC[C@@H](CNCc1csc(Cl)c1Cl)OC ZINC000336761952 1123121805 /nfs/dbraw/zinc/12/18/05/1123121805.db2.gz NDEGHGZYGOXFJD-QMMMGPOBSA-N 0 1 268.209 3.570 20 0 CHADMN CCCC[C@@H](CC)CN1CCC(F)(F)[C@H](F)C1 ZINC001201562819 1123124302 /nfs/dbraw/zinc/12/43/02/1123124302.db2.gz GWVIJUGZIPQXRL-VXGBXAGGSA-N 0 1 251.336 3.882 20 0 CHADMN CCCC[C@@H](CC)CN1CCO[C@H](c2ccncc2)C1 ZINC001201568656 1123126010 /nfs/dbraw/zinc/12/60/10/1123126010.db2.gz VPVYCBYEOQWQNT-WBVHZDCISA-N 0 1 276.424 3.671 20 0 CHADMN CC(=O)c1ccc2c(c1)CN(CCCc1ccccc1)CC2 ZINC001201671690 1123133394 /nfs/dbraw/zinc/13/33/94/1123133394.db2.gz JVFLWZQZZRLMTH-UHFFFAOYSA-N 0 1 293.410 3.880 20 0 CHADMN Cc1nc(CN[C@H]2c3ccccc3CC[C@H]2C)cs1 ZINC001201674961 1123133494 /nfs/dbraw/zinc/13/34/94/1123133494.db2.gz FWTVYDGKEXOOEP-BDJLRTHQSA-N 0 1 272.417 3.865 20 0 CHADMN C[C@H](c1cccnc1)N(C)Cc1cc2ccccc2n1C ZINC000639041603 1123143200 /nfs/dbraw/zinc/14/32/00/1123143200.db2.gz XIUAMZYQNFLVEE-CQSZACIVSA-N 0 1 279.387 3.766 20 0 CHADMN Cc1ncc([C@H](C)N2C[C@H](C)C[C@H]2c2cccnc2)c(C)n1 ZINC000639045612 1123144955 /nfs/dbraw/zinc/14/49/55/1123144955.db2.gz LFILMYYWXHIEJT-IAISJRAMSA-N 0 1 296.418 3.633 20 0 CHADMN c1nc2c([nH]1)C1(CCC1)[N@@H+](Cc1cccc(C3CC3)c1)CC2 ZINC000895068773 1123146456 /nfs/dbraw/zinc/14/64/56/1123146456.db2.gz LGMQSZWWAIWZOL-UHFFFAOYSA-N 0 1 293.414 3.725 20 0 CHADMN c1nc2c([nH]1)C1(CCC1)N(Cc1cccc(C3CC3)c1)CC2 ZINC000895068773 1123146457 /nfs/dbraw/zinc/14/64/57/1123146457.db2.gz LGMQSZWWAIWZOL-UHFFFAOYSA-N 0 1 293.414 3.725 20 0 CHADMN CC[C@H](C)Nc1nccc(NC(=O)C(C)(C)C)c1C ZINC001168000235 1123147686 /nfs/dbraw/zinc/14/76/86/1123147686.db2.gz RXLCRUAPRPXTPL-JTQLQIEISA-N 0 1 263.385 3.585 20 0 CHADMN Fc1ccc(C2(CNCc3nccs3)CC2)c(Cl)c1 ZINC001201881828 1123156325 /nfs/dbraw/zinc/15/63/25/1123156325.db2.gz NRWMXLWIYKFIEY-UHFFFAOYSA-N 0 1 296.798 3.757 20 0 CHADMN C[C@@H]([N@@H+](Cc1cncn1C)Cc1ccccc1)C(C)(C)C ZINC000346026278 1123159511 /nfs/dbraw/zinc/15/95/11/1123159511.db2.gz DGJXGGNNWFGDCI-OAHLLOKOSA-N 0 1 285.435 3.857 20 0 CHADMN CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)N1CC1CC1 ZINC001201951727 1123162344 /nfs/dbraw/zinc/16/23/44/1123162344.db2.gz YJOMAEWVCJDXHR-DLBZAZTESA-N 0 1 287.403 3.555 20 0 CHADMN O=C(Nc1ccc(F)cc1F)Nc1cccc(Cl)c1O ZINC001202020772 1123166495 /nfs/dbraw/zinc/16/64/95/1123166495.db2.gz ZIQMAZSTQDDJHW-UHFFFAOYSA-N 0 1 298.676 3.968 20 0 CHADMN CC[C@@H]1C[C@@H](C[N@H+]2CCc3c(F)ccc(F)c3C2)CCO1 ZINC000507776682 1123170695 /nfs/dbraw/zinc/17/06/95/1123170695.db2.gz NXTQYNDFYAGUFR-QWHCGFSZSA-N 0 1 295.373 3.528 20 0 CHADMN CC[C@@H]1C[C@@H](CN2CCc3c(F)ccc(F)c3C2)CCO1 ZINC000507776682 1123170697 /nfs/dbraw/zinc/17/06/97/1123170697.db2.gz NXTQYNDFYAGUFR-QWHCGFSZSA-N 0 1 295.373 3.528 20 0 CHADMN C[N@@H+](CCCC(F)(F)F)Cc1cccc(F)c1F ZINC001202441299 1123208103 /nfs/dbraw/zinc/20/81/03/1123208103.db2.gz BISFMYNAQATTLT-UHFFFAOYSA-N 0 1 267.241 3.739 20 0 CHADMN CN(CCCC(F)(F)F)Cc1cccc(F)c1F ZINC001202441299 1123208105 /nfs/dbraw/zinc/20/81/05/1123208105.db2.gz BISFMYNAQATTLT-UHFFFAOYSA-N 0 1 267.241 3.739 20 0 CHADMN Cc1cc(Cl)ccc1CNc1cccc2[nH]nnc21 ZINC001202465174 1123210083 /nfs/dbraw/zinc/21/00/83/1123210083.db2.gz AACAPRHLMYLNFT-UHFFFAOYSA-N 0 1 272.739 3.532 20 0 CHADMN Fc1cccc2c1CCN(CCCC(F)(F)F)C2 ZINC001202433900 1123211498 /nfs/dbraw/zinc/21/14/98/1123211498.db2.gz WBYBPTPICFKYIB-UHFFFAOYSA-N 0 1 261.262 3.526 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000155860955 1129106697 /nfs/dbraw/zinc/10/66/97/1129106697.db2.gz KQPCMSYXHWXTGC-DOMZBBRYSA-N 0 1 277.412 3.574 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN(C)CC1CC1 ZINC000338916427 1123217860 /nfs/dbraw/zinc/21/78/60/1123217860.db2.gz KILVJFMIJKCRSW-UHFFFAOYSA-N 0 1 262.378 3.553 20 0 CHADMN CCOc1cc(CN2CCC[C@@H]2c2ccccn2)ccc1O ZINC000520750519 1123224202 /nfs/dbraw/zinc/22/42/02/1123224202.db2.gz QOYGIBFVHCZATD-MRXNPFEDSA-N 0 1 298.386 3.523 20 0 CHADMN C[C@H](CO)c1ccc(-c2ccc(F)c(CN(C)C)c2)cc1 ZINC000665199590 1123227426 /nfs/dbraw/zinc/22/74/26/1123227426.db2.gz ONCDCMKYJIEWKM-CYBMUJFWSA-N 0 1 287.378 3.650 20 0 CHADMN CN(C)Cc1cc(-c2cc(Cl)cc(CO)c2)ccc1F ZINC000665199638 1123227786 /nfs/dbraw/zinc/22/77/86/1123227786.db2.gz QRCBIGFOCJKWMZ-UHFFFAOYSA-N 0 1 293.769 3.700 20 0 CHADMN CCOc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000070262542 1123231468 /nfs/dbraw/zinc/23/14/68/1123231468.db2.gz XGGZSVHTYWJWPE-UHFFFAOYSA-N 0 1 256.280 3.768 20 0 CHADMN Clc1ccc2nc(-c3ccc4c(c3)CCO4)[nH]c2c1 ZINC000070262994 1123235068 /nfs/dbraw/zinc/23/50/68/1123235068.db2.gz SFXSHJWZAWSVPY-UHFFFAOYSA-N 0 1 270.719 3.818 20 0 CHADMN CCCCCCNCc1c(F)cncc1Br ZINC000850007158 1123236860 /nfs/dbraw/zinc/23/68/60/1123236860.db2.gz GYBVXLIPGOASJV-UHFFFAOYSA-N 0 1 289.192 3.653 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H]1CCCc2c(F)cccc21 ZINC000334521929 1123240760 /nfs/dbraw/zinc/24/07/60/1123240760.db2.gz HQUZMWWDLVPEOX-MLGOLLRUSA-N 0 1 285.366 3.652 20 0 CHADMN Cc1cc(Br)c(CNC2CC(F)(F)C2)s1 ZINC000334528397 1123243809 /nfs/dbraw/zinc/24/38/09/1123243809.db2.gz RDEHIRRZCGBZRD-UHFFFAOYSA-N 0 1 296.180 3.706 20 0 CHADMN Cc1n[nH]c(CN(C)[C@H](C)CSc2ccccc2)c1C ZINC000895133511 1123246479 /nfs/dbraw/zinc/24/64/79/1123246479.db2.gz KSYFYCMHFONNLG-GFCCVEGCSA-N 0 1 289.448 3.639 20 0 CHADMN C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccc3c(n2)CCC3)C1 ZINC000334548136 1123250968 /nfs/dbraw/zinc/25/09/68/1123250968.db2.gz ODGOFBXTDGWLJN-LIRRHRJNSA-N 0 1 293.414 3.548 20 0 CHADMN Cc1ccc(-c2nc(CN[C@@H]3C=CCC3)cs2)cc1 ZINC000850358300 1123255829 /nfs/dbraw/zinc/25/58/29/1123255829.db2.gz AVORXLQJGQMIFI-CQSZACIVSA-N 0 1 270.401 3.927 20 0 CHADMN CC(C)N(Cc1ccccc1Br)C1CC1 ZINC000508030307 1123255885 /nfs/dbraw/zinc/25/58/85/1123255885.db2.gz XJXFJLOETJILBP-UHFFFAOYSA-N 0 1 268.198 3.822 20 0 CHADMN CC(C)[C@@H](NCc1cnn2ccccc12)c1ccccc1F ZINC000850362406 1123257629 /nfs/dbraw/zinc/25/76/29/1123257629.db2.gz NGZXWQIRCLZXGU-GOSISDBHSA-N 0 1 297.377 3.960 20 0 CHADMN CC(C)Oc1cccc(CN[C@H]2C[C@@H](O)c3ccccc32)c1 ZINC000850371474 1123258315 /nfs/dbraw/zinc/25/83/15/1123258315.db2.gz KCMCMINISWCKQP-RBUKOAKNSA-N 0 1 297.398 3.742 20 0 CHADMN CC(C)Oc1ccccc1CN[C@@H]1C[C@H](O)c2ccccc21 ZINC000850368885 1123258443 /nfs/dbraw/zinc/25/84/43/1123258443.db2.gz GIRVUYRDUBPLNA-MSOLQXFVSA-N 0 1 297.398 3.742 20 0 CHADMN Clc1scc(CN[C@@H]2COC3(CCC3)C2)c1Cl ZINC000850370586 1123258669 /nfs/dbraw/zinc/25/86/69/1123258669.db2.gz RVHHZZIEEQIOJJ-VIFPVBQESA-N 0 1 292.231 3.856 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cn(C)nc2C(C)(C)C)c1 ZINC000520790318 1123260686 /nfs/dbraw/zinc/26/06/86/1123260686.db2.gz VCWSNGRFVHMHJO-UHFFFAOYSA-N 0 1 299.462 3.966 20 0 CHADMN Oc1ccc([C@@H]2CCCN2Cc2ccccc2F)cc1 ZINC000620934166 1129109642 /nfs/dbraw/zinc/10/96/42/1129109642.db2.gz KUMXWTHWZSMHPN-KRWDZBQOSA-N 0 1 271.335 3.868 20 0 CHADMN C[C@H](O)[C@H](NCc1cc(Cl)cs1)c1ccccc1 ZINC000850420900 1123264261 /nfs/dbraw/zinc/26/42/61/1123264261.db2.gz SXDOPFVOXCIPID-HZMBPMFUSA-N 0 1 281.808 3.613 20 0 CHADMN C[C@@H](NCc1ccc(Cl)nc1)c1ccc(C(F)F)nc1 ZINC000850424863 1123265371 /nfs/dbraw/zinc/26/53/71/1123265371.db2.gz NMCVHAOQLQGRTF-SECBINFHSA-N 0 1 297.736 3.918 20 0 CHADMN C[C@H](NC1(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000427978901 1123266239 /nfs/dbraw/zinc/26/62/39/1123266239.db2.gz FNUJFMDBWJQVKD-AWEZNQCLSA-N 0 1 280.371 3.509 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccoc1)c1cc2cnccc2o1 ZINC000850445603 1123267897 /nfs/dbraw/zinc/26/78/97/1123267897.db2.gz FYXVFBYFVPJRCM-WDEREUQCSA-N 0 1 256.305 3.833 20 0 CHADMN Clc1cc(Cl)cc(CN[C@H]2CCCc3n[nH]cc32)c1 ZINC000850482236 1123273351 /nfs/dbraw/zinc/27/33/51/1123273351.db2.gz QSWZRHFXJKQSKU-ZDUSSCGKSA-N 0 1 296.201 3.884 20 0 CHADMN Cc1cc([C@H](C)NCc2cc(Cl)cc(Cl)c2)n(C)n1 ZINC000850483079 1123274299 /nfs/dbraw/zinc/27/42/99/1123274299.db2.gz WOLWXDOYLNRCCP-JTQLQIEISA-N 0 1 298.217 3.886 20 0 CHADMN Cc1cc([C@H](C)N[C@H](c2ccccc2F)C(C)C)n(C)n1 ZINC000850516327 1123279051 /nfs/dbraw/zinc/27/90/51/1123279051.db2.gz AOTIMPNWTLGKQB-GUYCJALGSA-N 0 1 289.398 3.916 20 0 CHADMN O[C@@H]1C[C@H](N[C@@H]2CCSc3ccccc32)c2ccccc21 ZINC000850527559 1123283300 /nfs/dbraw/zinc/28/33/00/1123283300.db2.gz ASKKLDJIAIMEOO-IXDOHACOSA-N 0 1 297.423 3.992 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1ccsc1 ZINC000850528894 1123283423 /nfs/dbraw/zinc/28/34/23/1123283423.db2.gz MGMWVNAOKYFNSZ-VQISRLSMSA-N 0 1 259.374 3.577 20 0 CHADMN CCC[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1ccccn1 ZINC000850529474 1123283900 /nfs/dbraw/zinc/28/39/00/1123283900.db2.gz RRRMZBYVIVZFGP-OKZBNKHCSA-N 0 1 282.387 3.691 20 0 CHADMN Cc1cc([C@@H](C)NCc2cc3cc(C)ccc3o2)n(C)n1 ZINC000850531301 1123285271 /nfs/dbraw/zinc/28/52/71/1123285271.db2.gz IXTALCWGZUHRDB-CYBMUJFWSA-N 0 1 283.375 3.634 20 0 CHADMN CC[C@@H](OCCNCc1ccc(OC)o1)c1ccccc1 ZINC000895146005 1123288657 /nfs/dbraw/zinc/28/86/57/1123288657.db2.gz VUTOTNIPRPMKLT-MRXNPFEDSA-N 0 1 289.375 3.546 20 0 CHADMN C[C@H](O)[C@H](N[C@@H](C)c1ccnc(Cl)c1)c1ccccc1 ZINC000850583969 1123295934 /nfs/dbraw/zinc/29/59/34/1123295934.db2.gz PAGOWHUZCGRCBZ-MKBNYLNASA-N 0 1 290.794 3.508 20 0 CHADMN CCCN[C@@H](C)c1nc(Cc2c(F)cccc2Cl)no1 ZINC000109515329 1123298619 /nfs/dbraw/zinc/29/86/19/1123298619.db2.gz PMFHNFGTPGPAJB-VIFPVBQESA-N 0 1 297.761 3.514 20 0 CHADMN CC(C)Cn1nccc1CN(C)[C@H]1CCc2ccccc21 ZINC000648000427 1123299041 /nfs/dbraw/zinc/29/90/41/1123299041.db2.gz JCQFCNLANSWKCF-SFHVURJKSA-N 0 1 283.419 3.658 20 0 CHADMN CCCCN(CC)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000487414131 1123299158 /nfs/dbraw/zinc/29/91/58/1123299158.db2.gz MLKGEVKICAJOAB-UHFFFAOYSA-N 0 1 295.333 3.637 20 0 CHADMN C[C@@H](OC(=O)CCCF)c1nc2ccc(Cl)cc2[nH]1 ZINC000850834753 1123305239 /nfs/dbraw/zinc/30/52/39/1123305239.db2.gz MLBXBVHDSVTCBS-MRVPVSSYSA-N 0 1 284.718 3.570 20 0 CHADMN O=C(Nc1ccc(C(F)F)cc1)[C@H]1CCN1C1CCCC1 ZINC000885583950 1123314444 /nfs/dbraw/zinc/31/44/44/1123314444.db2.gz FODJFKLOZDNKIS-CQSZACIVSA-N 0 1 294.345 3.580 20 0 CHADMN C[C@@]1(O)CCCN(Cc2cscc2C(F)(F)F)CC1 ZINC000335168213 1123315342 /nfs/dbraw/zinc/31/53/42/1123315342.db2.gz UGBJXMOGLVSQLU-GFCCVEGCSA-N 0 1 293.354 3.504 20 0 CHADMN c1cn(Cc2ccccc2)c(CN2CC[C@@H](C3CCC3)C2)n1 ZINC000665286541 1123320535 /nfs/dbraw/zinc/32/05/35/1123320535.db2.gz OCULJVFXEPZIOW-GOSISDBHSA-N 0 1 295.430 3.553 20 0 CHADMN CC1(C)C[C@@H](Sc2nc(-c3ccccc3)n[nH]2)CCO1 ZINC000335194511 1123320885 /nfs/dbraw/zinc/32/08/85/1123320885.db2.gz SLPHCTYOJPSKSG-LBPRGKRZSA-N 0 1 289.404 3.521 20 0 CHADMN O=C(OCc1cc(C2CC2)[nH]n1)C1[C@@H]2CCCCCC[C@@H]12 ZINC000851118569 1123325442 /nfs/dbraw/zinc/32/54/42/1123325442.db2.gz CKLPRHMOGYIYJY-ZIAGYGMSSA-N 0 1 288.391 3.547 20 0 CHADMN COCc1nc(CN(C)C2CCC(C)(C)CC2)cs1 ZINC000353898349 1123331533 /nfs/dbraw/zinc/33/15/33/1123331533.db2.gz JZTWQTMGHUMROU-UHFFFAOYSA-N 0 1 282.453 3.690 20 0 CHADMN Nc1c(F)cccc1CN1CC(c2ccc(Cl)cc2)C1 ZINC000639233444 1123334264 /nfs/dbraw/zinc/33/42/64/1123334264.db2.gz GMYCFUZOKHQRNN-UHFFFAOYSA-N 0 1 290.769 3.661 20 0 CHADMN CCc1nc([C@H](C)N[C@H](C)c2ccccc2SC)n[nH]1 ZINC000442865895 1123343841 /nfs/dbraw/zinc/34/38/41/1123343841.db2.gz JBOFPJWIAQGXQA-MNOVXSKESA-N 0 1 290.436 3.501 20 0 CHADMN CC1(C)CN([C@H]2CCc3ccc(F)cc32)CC(C)(C)O1 ZINC000442872699 1123344866 /nfs/dbraw/zinc/34/48/66/1123344866.db2.gz ITFGJASSRQNWJZ-HNNXBMFYSA-N 0 1 277.383 3.702 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442884730 1123346325 /nfs/dbraw/zinc/34/63/25/1123346325.db2.gz ZEUJABOBWOKDAR-PWSUYJOCSA-N 0 1 289.345 3.829 20 0 CHADMN Cc1cncc(CN2CCc3c(C)cc(C)cc3C2)c1 ZINC000442888775 1123347468 /nfs/dbraw/zinc/34/74/68/1123347468.db2.gz CUVLDSVZTPZGTH-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)N1CCO[C@](C)(CC)C1 ZINC000442888627 1123347982 /nfs/dbraw/zinc/34/79/82/1123347982.db2.gz GTKBBRBKPUBUJN-JKSUJKDBSA-N 0 1 265.372 3.778 20 0 CHADMN CC[N@@H+](Cc1ccncc1)[C@@H]1CCc2ccc(F)cc21 ZINC000348075128 1123357097 /nfs/dbraw/zinc/35/70/97/1123357097.db2.gz NBYPIIBTKLARGP-QGZVFWFLSA-N 0 1 270.351 3.730 20 0 CHADMN CCCN1CCC[C@H]1c1nc(-c2ccc(C)cc2)no1 ZINC000443098548 1123357912 /nfs/dbraw/zinc/35/79/12/1123357912.db2.gz YLDCRQRGNNEEQK-AWEZNQCLSA-N 0 1 271.364 3.592 20 0 CHADMN CC1=CCC[C@@H](C)[C@H]1C[N@@H+](C)Cc1cscn1 ZINC000191057919 1123362177 /nfs/dbraw/zinc/36/21/77/1123362177.db2.gz GPKYRZVQQTWMRD-OCCSQVGLSA-N 0 1 250.411 3.567 20 0 CHADMN CC1=CCC[C@@H](C)[C@H]1CN(C)Cc1cscn1 ZINC000191057919 1123362180 /nfs/dbraw/zinc/36/21/80/1123362180.db2.gz GPKYRZVQQTWMRD-OCCSQVGLSA-N 0 1 250.411 3.567 20 0 CHADMN CCN[C@H](C)c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000634554095 1129116962 /nfs/dbraw/zinc/11/69/62/1129116962.db2.gz PKUIFBWOOFKQJS-SSDOTTSWSA-N 0 1 286.162 3.714 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2ccccc2CC(=O)[O-])cc1C ZINC000851709456 1123372596 /nfs/dbraw/zinc/37/25/96/1123372596.db2.gz YUKWLCLLQXKKKL-UHFFFAOYSA-N 0 1 297.398 3.563 20 0 CHADMN CCCCCC[N@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000851707688 1123373132 /nfs/dbraw/zinc/37/31/32/1123373132.db2.gz IJHCNMGUEMOORF-JKSUJKDBSA-N 0 1 281.440 3.922 20 0 CHADMN C(c1nnc(C2CC2)s1)N1CCCC12CCCCC2 ZINC000335578505 1123382598 /nfs/dbraw/zinc/38/25/98/1123382598.db2.gz VZXKAJIFWJXYAF-UHFFFAOYSA-N 0 1 277.437 3.714 20 0 CHADMN Fc1ccc(C2(NCc3cccc(F)n3)CCCC2)cc1 ZINC000851838609 1123384197 /nfs/dbraw/zinc/38/41/97/1123384197.db2.gz LMZSVVUTAWLPBE-UHFFFAOYSA-N 0 1 288.341 3.919 20 0 CHADMN COc1cc(C[N@H+]2CCCC[C@@H]2c2ccccc2)sn1 ZINC000851938088 1123389543 /nfs/dbraw/zinc/38/95/43/1123389543.db2.gz JANRMHGVIWZEJE-OAHLLOKOSA-N 0 1 288.416 3.879 20 0 CHADMN COc1cc(CN2CCCC[C@@H]2c2ccccc2)sn1 ZINC000851938088 1123389549 /nfs/dbraw/zinc/38/95/49/1123389549.db2.gz JANRMHGVIWZEJE-OAHLLOKOSA-N 0 1 288.416 3.879 20 0 CHADMN COc1cc(CN[C@@H](C)c2csc(Cl)c2)ccn1 ZINC000191156658 1123390125 /nfs/dbraw/zinc/39/01/25/1123390125.db2.gz VFVZYPLNLVSGAH-VIFPVBQESA-N 0 1 282.796 3.656 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1C[C@@H](C)OC[C@H]1C ZINC000443417767 1123395884 /nfs/dbraw/zinc/39/58/84/1123395884.db2.gz QVWOLPIPCXKISC-VXGBXAGGSA-N 0 1 287.325 3.623 20 0 CHADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C/C=C/Cl ZINC000852128291 1123398120 /nfs/dbraw/zinc/39/81/20/1123398120.db2.gz KLBKHPJXSWYJGJ-BSPAPZMXSA-N 0 1 284.190 3.962 20 0 CHADMN FC(F)OCC[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000852207726 1123399454 /nfs/dbraw/zinc/39/94/54/1123399454.db2.gz NNQLEOYGGFYJRN-CQSZACIVSA-N 0 1 279.330 3.619 20 0 CHADMN FC(F)OCCN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000852207726 1123399455 /nfs/dbraw/zinc/39/94/55/1123399455.db2.gz NNQLEOYGGFYJRN-CQSZACIVSA-N 0 1 279.330 3.619 20 0 CHADMN ClC(Cl)=CC[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000852193181 1123399777 /nfs/dbraw/zinc/39/97/77/1123399777.db2.gz YHUCZQVKRKHPCM-CYBMUJFWSA-N 0 1 290.234 3.587 20 0 CHADMN ClC(Cl)=CCN1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000852193181 1123399780 /nfs/dbraw/zinc/39/97/80/1123399780.db2.gz YHUCZQVKRKHPCM-CYBMUJFWSA-N 0 1 290.234 3.587 20 0 CHADMN C[C@H](CSc1ccccc1)N(C)Cc1cccc(F)n1 ZINC000852208316 1123400396 /nfs/dbraw/zinc/40/03/96/1123400396.db2.gz DRDMRSYWLKONKS-CYBMUJFWSA-N 0 1 290.407 3.833 20 0 CHADMN Cc1ccnc(CN2CCC[C@H]2c2c(C)cccc2C)n1 ZINC000852312283 1123402486 /nfs/dbraw/zinc/40/24/86/1123402486.db2.gz HGCQXJDKTCPDKL-INIZCTEOSA-N 0 1 281.403 3.739 20 0 CHADMN C[C@@H](C(=O)Nc1ccccc1Cl)N1CCCCCCC1 ZINC000008338817 1123405761 /nfs/dbraw/zinc/40/57/61/1123405761.db2.gz USSQUBWEOOEWGX-ZDUSSCGKSA-N 0 1 294.826 3.933 20 0 CHADMN Clc1ccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)cn1 ZINC000852595182 1123409616 /nfs/dbraw/zinc/40/96/16/1123409616.db2.gz GQZRGCWKRJSILT-HUUCEWRRSA-N 0 1 294.826 3.516 20 0 CHADMN Clc1cccc(CN2CCC([C@@H]3CCCCO3)CC2)n1 ZINC000852593136 1123410312 /nfs/dbraw/zinc/41/03/12/1123410312.db2.gz DDDPTSVEAHJUNN-HNNXBMFYSA-N 0 1 294.826 3.516 20 0 CHADMN O=C1[C@@H]2CCCCCCC2=NN1c1nccc2sccc21 ZINC000634596988 1129119849 /nfs/dbraw/zinc/11/98/49/1129119849.db2.gz YKEHWDHQNDPWSG-LLVKDONJSA-N 0 1 299.399 3.969 20 0 CHADMN Cc1noc2ncc(CN3CCC(c4ccco4)CC3)cc12 ZINC000895230568 1123411738 /nfs/dbraw/zinc/41/17/38/1123411738.db2.gz MLLSZBODZXBWEC-UHFFFAOYSA-N 0 1 297.358 3.504 20 0 CHADMN CC[C@H](C)N(C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000110796307 1123413126 /nfs/dbraw/zinc/41/31/26/1123413126.db2.gz XLMPLEFHMDJXJC-ZDUSSCGKSA-N 0 1 276.424 3.653 20 0 CHADMN Cc1cc(CNCc2cnccc2C(F)(F)F)c(C)o1 ZINC000853094918 1123423759 /nfs/dbraw/zinc/42/37/59/1123423759.db2.gz CIQOAZQMVCCGBM-UHFFFAOYSA-N 0 1 284.281 3.600 20 0 CHADMN CC(C)(C)c1n[nH]cc1C(=O)Nc1ccc2ccccc2n1 ZINC000338955244 1123427167 /nfs/dbraw/zinc/42/71/67/1123427167.db2.gz SCPNXGLFTYDPBE-UHFFFAOYSA-N 0 1 294.358 3.508 20 0 CHADMN Cc1noc2ncc(CNc3nccc(C)c3C3CC3)cc12 ZINC000895251956 1123428669 /nfs/dbraw/zinc/42/86/69/1123428669.db2.gz QSMAXZVXBBNNTG-UHFFFAOYSA-N 0 1 294.358 3.724 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H](C)c1ccc2c(c1)CCCO2 ZINC000853240087 1123429357 /nfs/dbraw/zinc/42/93/57/1123429357.db2.gz FVVWSJAVDDDHOW-TZMCWYRMSA-N 0 1 297.402 3.522 20 0 CHADMN C[C@H](C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1cccc(Cl)c1 ZINC000665351022 1123433645 /nfs/dbraw/zinc/43/36/45/1123433645.db2.gz NLLIUGOFCZISPT-GFCCVEGCSA-N 0 1 297.826 3.876 20 0 CHADMN O=C1[C@H]2CCCCCC2=NN1c1cccc2cnccc21 ZINC000634622515 1129121410 /nfs/dbraw/zinc/12/14/10/1129121410.db2.gz HIVGKHMQBGHXQM-AWEZNQCLSA-N 0 1 279.343 3.518 20 0 CHADMN O=c1c2c([nH]n1-c1cccc3cnccc31)CCCCC2 ZINC000634622515 1129121412 /nfs/dbraw/zinc/12/14/12/1129121412.db2.gz HIVGKHMQBGHXQM-AWEZNQCLSA-N 0 1 279.343 3.518 20 0 CHADMN CC(C)(C)C[N@H+](CC(=O)[O-])C[C@@H]1CCCC(C)(C)C1 ZINC000665350580 1123435365 /nfs/dbraw/zinc/43/53/65/1123435365.db2.gz ZPSKQWGHIMAEER-CYBMUJFWSA-N 0 1 269.429 3.636 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442882147 1123440290 /nfs/dbraw/zinc/44/02/90/1123440290.db2.gz CIZZSWRYEALBCF-SCVCMEIPSA-N 0 1 287.329 3.582 20 0 CHADMN Cc1cnc(=S)n(CN(C)C[C@H]2CCc3ccccc32)c1 ZINC000853608967 1123443654 /nfs/dbraw/zinc/44/36/54/1123443654.db2.gz CDLJDVIUQXSTRK-OAHLLOKOSA-N 0 1 299.443 3.540 20 0 CHADMN S=c1ncccn1CN1CCCC[C@H]1CC1CCC1 ZINC000853605965 1123443714 /nfs/dbraw/zinc/44/37/14/1123443714.db2.gz OKPNZJBBCFNZOY-AWEZNQCLSA-N 0 1 277.437 3.615 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000443614566 1123444757 /nfs/dbraw/zinc/44/47/57/1123444757.db2.gz DYKAKCJDQXJVMJ-MNOVXSKESA-N 0 1 292.329 3.850 20 0 CHADMN COc1ccc2ccccc2c1Cn1[nH]c(C(C)C)cc1=O ZINC000634631623 1129122442 /nfs/dbraw/zinc/12/24/42/1129122442.db2.gz YWQMHYQDWLICOX-UHFFFAOYSA-N 0 1 296.370 3.593 20 0 CHADMN CC1=NO[C@@H](CN[C@@H](C)c2ccc(-c3ccccc3)cn2)C1 ZINC000895301113 1123447581 /nfs/dbraw/zinc/44/75/81/1123447581.db2.gz ZIAFAUYBKAPNBN-WMLDXEAASA-N 0 1 295.386 3.564 20 0 CHADMN CC(C)[C@@H](C)[N@@H+](C)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000443619295 1123448848 /nfs/dbraw/zinc/44/88/48/1123448848.db2.gz BEVUBUYPXUVCIN-GFCCVEGCSA-N 0 1 293.361 3.627 20 0 CHADMN CO[C@H]1CCN([C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000443629206 1123450411 /nfs/dbraw/zinc/45/04/11/1123450411.db2.gz NUUQZMZZSRUGCR-HZMBPMFUSA-N 0 1 286.202 3.701 20 0 CHADMN Clc1cccnc1C1CCN(Cc2ccncc2)CC1 ZINC000335890206 1123459013 /nfs/dbraw/zinc/45/90/13/1123459013.db2.gz YKRBXBYKMYLVLY-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1cnc([C@H](C)N2CCC[C@@H]2c2ccsc2)cn1 ZINC000335891874 1123460015 /nfs/dbraw/zinc/46/00/15/1123460015.db2.gz COESTUSECMOJMM-SWLSCSKDSA-N 0 1 273.405 3.745 20 0 CHADMN Fc1cccc(/C=C/CN2CCC(c3ccon3)CC2)c1 ZINC000895336943 1123460417 /nfs/dbraw/zinc/46/04/17/1123460417.db2.gz ZAWGPLZPQHSATQ-DUXPYHPUSA-N 0 1 286.350 3.707 20 0 CHADMN Clc1ccccc1O[C@@H]1CCN([C@@H]2C=CCCC2)C1 ZINC000443654692 1123462239 /nfs/dbraw/zinc/46/22/39/1123462239.db2.gz XURDMGSHUKIPPS-ZIAGYGMSSA-N 0 1 277.795 3.902 20 0 CHADMN Cc1ccnc(NCc2cn3ccnc3s2)c1C1CC1 ZINC000895348009 1123463051 /nfs/dbraw/zinc/46/30/51/1123463051.db2.gz YSLVQVFATRCZRA-UHFFFAOYSA-N 0 1 284.388 3.589 20 0 CHADMN CC[C@H]1CC[C@H](C(=O)Nc2cccc(-c3cn[nH]n3)c2)CC1 ZINC000443672890 1123467332 /nfs/dbraw/zinc/46/73/32/1123467332.db2.gz GFSPBENFNMNTIO-JOCQHMNTSA-N 0 1 298.390 3.627 20 0 CHADMN CC(C)c1cccc(-c2nc([C@H](N)C(C)C)no2)c1 ZINC000854133118 1123470094 /nfs/dbraw/zinc/47/00/94/1123470094.db2.gz STYQXAKFIIAQSK-CYBMUJFWSA-N 0 1 259.353 3.516 20 0 CHADMN O=C(CC1CCCCCC1)Nc1cccc(-c2cn[nH]n2)c1 ZINC000443678422 1123470149 /nfs/dbraw/zinc/47/01/49/1123470149.db2.gz WUOHPLLRZCGMDD-UHFFFAOYSA-N 0 1 298.390 3.771 20 0 CHADMN CCSc1cccc(-c2noc([C@H](CC)NC)n2)c1 ZINC000854157979 1123472101 /nfs/dbraw/zinc/47/21/01/1123472101.db2.gz KXLBOPPUQXXSMO-LBPRGKRZSA-N 0 1 277.393 3.519 20 0 CHADMN CCCC(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000111990118 1123472825 /nfs/dbraw/zinc/47/28/25/1123472825.db2.gz DHPWZPYLWBXDJV-MRVPVSSYSA-N 0 1 266.728 3.621 20 0 CHADMN COc1ccc(CN[C@H]2CCCc3c(C)cccc32)o1 ZINC000895463212 1123483104 /nfs/dbraw/zinc/48/31/04/1123483104.db2.gz MEKIPBNQBYLDFV-INIZCTEOSA-N 0 1 271.360 3.764 20 0 CHADMN C[C@@H]1CCCN(Cc2cccnc2C(F)(F)F)[C@@H]1C ZINC000528387333 1123483283 /nfs/dbraw/zinc/48/32/83/1123483283.db2.gz GEMZABTWVDRVMQ-GHMZBOCLSA-N 0 1 272.314 3.721 20 0 CHADMN Cc1cccc(C2=CCN(Cc3n[nH]c(C(C)C)n3)CC2)c1 ZINC000428291014 1123487485 /nfs/dbraw/zinc/48/74/85/1123487485.db2.gz PDVFVOJXHWVEPY-UHFFFAOYSA-N 0 1 296.418 3.526 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1ccc(CCC(C)C)cc1 ZINC000621049181 1129125058 /nfs/dbraw/zinc/12/50/58/1129125058.db2.gz FBBALAGADOUMGA-UHFFFAOYSA-N 0 1 285.391 3.813 20 0 CHADMN Cc1nnc(CNCCCCCCc2ccccc2)s1 ZINC000895565249 1123492925 /nfs/dbraw/zinc/49/29/25/1123492925.db2.gz QEACDJHXDLFOJB-UHFFFAOYSA-N 0 1 289.448 3.739 20 0 CHADMN CC(C)=CC(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000854817881 1123496210 /nfs/dbraw/zinc/49/62/10/1123496210.db2.gz HQTPJZMCMNNBDX-JTQLQIEISA-N 0 1 291.782 3.702 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@H](C3CCC3)CC2)c1 ZINC000634697335 1129125810 /nfs/dbraw/zinc/12/58/10/1129125810.db2.gz HAGPNIHMKACKGM-INIZCTEOSA-N 0 1 287.403 3.787 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CN1CC(c2ccccc2)C1 ZINC000895694101 1123505224 /nfs/dbraw/zinc/50/52/24/1123505224.db2.gz REYXZTPIXAZGIX-UHFFFAOYSA-N 0 1 283.419 3.680 20 0 CHADMN CC(C)C[C@H]1CCC[C@H](NCc2nc(C(F)F)no2)C1 ZINC000895724531 1123508803 /nfs/dbraw/zinc/50/88/03/1123508803.db2.gz HJAXQFWKUJVMKO-MNOVXSKESA-N 0 1 287.354 3.702 20 0 CHADMN Cc1cnc(CCN(C)Cc2ccc(F)cc2Cl)s1 ZINC000157328178 1129126617 /nfs/dbraw/zinc/12/66/17/1129126617.db2.gz SSGDCIXVESAPJY-UHFFFAOYSA-N 0 1 298.814 3.919 20 0 CHADMN CCN(CC)[C@@H](CNC(=O)CCC(C)(C)C)c1ccco1 ZINC000157372256 1129126694 /nfs/dbraw/zinc/12/66/94/1129126694.db2.gz GHCXVFZPEGBVBN-AWEZNQCLSA-N 0 1 294.439 3.605 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)N1CCO[C@@H](C(F)F)CC1 ZINC000634754334 1129127085 /nfs/dbraw/zinc/12/70/85/1129127085.db2.gz ZLHJWYHEQDVPQD-UONOGXRCSA-N 0 1 287.325 3.633 20 0 CHADMN Fc1ccc2occ(CN3CCC(F)(F)CC3)c2c1 ZINC001141846924 1123523351 /nfs/dbraw/zinc/52/33/51/1123523351.db2.gz PYTXNJDKJUKFPB-UHFFFAOYSA-N 0 1 269.266 3.803 20 0 CHADMN CCOc1ccc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)o1 ZINC000895860235 1123523733 /nfs/dbraw/zinc/52/37/33/1123523733.db2.gz RDNZPJIGLRPZSM-VXGBXAGGSA-N 0 1 289.297 3.665 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc3cnccc3o2)cnc1F ZINC000895868324 1123525505 /nfs/dbraw/zinc/52/55/05/1123525505.db2.gz BOWZONMBFCFFLX-LLVKDONJSA-N 0 1 285.322 3.521 20 0 CHADMN CSCC1CCN(c2ccnc(C)c2Cl)CC1 ZINC000896211399 1123561367 /nfs/dbraw/zinc/56/13/67/1123561367.db2.gz SUMKUJOVJLWHAS-UHFFFAOYSA-N 0 1 270.829 3.623 20 0 CHADMN Cc1cccnc1[C@H](NCc1ccccc1N(C)C)C(C)C ZINC000115622725 1123526996 /nfs/dbraw/zinc/52/69/96/1123526996.db2.gz FSNOHQQPCGCGRD-GOSISDBHSA-N 0 1 297.446 3.943 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@H]1CC12CCCC2 ZINC000474432627 1123529404 /nfs/dbraw/zinc/52/94/04/1123529404.db2.gz MLPUMDAJEBAEEE-SECBINFHSA-N 0 1 283.730 3.704 20 0 CHADMN Cc1cc(F)ccc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474438814 1123530167 /nfs/dbraw/zinc/53/01/67/1123530167.db2.gz ROHSQSKUWORRCU-UHFFFAOYSA-N 0 1 297.688 3.885 20 0 CHADMN CC1(C)CC[C@@H](C(=O)Nc2cc(F)cc(Cl)c2O)C1 ZINC000474436631 1123530354 /nfs/dbraw/zinc/53/03/54/1123530354.db2.gz FNWZUXHMXSAPNK-MRVPVSSYSA-N 0 1 285.746 3.950 20 0 CHADMN Cc1nocc1CN[C@@H]1CCc2cccc3cccc1c32 ZINC000895934164 1123531492 /nfs/dbraw/zinc/53/14/92/1123531492.db2.gz IKOHJSISEKZJMS-QGZVFWFLSA-N 0 1 278.355 3.913 20 0 CHADMN O=C(CCc1ccsc1)Nc1cc(F)cc(Cl)c1O ZINC000474452350 1123533357 /nfs/dbraw/zinc/53/33/57/1123533357.db2.gz ZHDUNNFWJCKQGZ-UHFFFAOYSA-N 0 1 299.754 3.818 20 0 CHADMN Cc1ccc(C(=O)CCN(C)Cc2ccc(F)cc2)cc1 ZINC000053936708 1123539288 /nfs/dbraw/zinc/53/92/88/1123539288.db2.gz PGEHGVKTHKWVDT-UHFFFAOYSA-N 0 1 285.362 3.839 20 0 CHADMN C[C@@H](N[C@@H](C)c1coc2ccccc21)c1cnn(C)c1 ZINC000925130361 1123549870 /nfs/dbraw/zinc/54/98/70/1123549870.db2.gz NQVBNHXGVLJREH-NEPJUHHUSA-N 0 1 269.348 3.578 20 0 CHADMN Cn1ccnc1[C@H](NCCC1CC1)c1ccc(Cl)cc1 ZINC000453149668 1123554611 /nfs/dbraw/zinc/55/46/11/1123554611.db2.gz KZYDBWCGMQMZJT-OAHLLOKOSA-N 0 1 289.810 3.553 20 0 CHADMN CN(Cc1noc2c1CCCC2)[C@H]1CCc2ccccc2C1 ZINC000114489819 1123564383 /nfs/dbraw/zinc/56/43/83/1123564383.db2.gz KJAUURMHOLKJRB-INIZCTEOSA-N 0 1 296.414 3.543 20 0 CHADMN CN(CCCCc1ccccc1)Cc1cn2c(n1)CCCC2 ZINC000429539230 1123575453 /nfs/dbraw/zinc/57/54/53/1123575453.db2.gz JYTXTIVQTFEJMG-UHFFFAOYSA-N 0 1 297.446 3.674 20 0 CHADMN Cc1nccnc1CN1CCCC[C@H]1c1ccccc1 ZINC000857038950 1123580509 /nfs/dbraw/zinc/58/05/09/1123580509.db2.gz JFDREXFKKZBSCE-KRWDZBQOSA-N 0 1 267.376 3.512 20 0 CHADMN c1cc(CC2CN(Cc3cnc4ccccc4c3)C2)cs1 ZINC000857068394 1123584241 /nfs/dbraw/zinc/58/42/41/1123584241.db2.gz SDJDVAXBHFMKRQ-UHFFFAOYSA-N 0 1 294.423 3.971 20 0 CHADMN CC(C)CN(Cc1cccc(Cl)c1)Cc1cnccn1 ZINC000857068567 1123584322 /nfs/dbraw/zinc/58/43/22/1123584322.db2.gz ZXMRNEZMUJBYDO-UHFFFAOYSA-N 0 1 289.810 3.788 20 0 CHADMN FC(F)SCc1ccc(CN2CC(CC3CC3)C2)o1 ZINC000857066677 1123584376 /nfs/dbraw/zinc/58/43/76/1123584376.db2.gz RIDKYSNTLONSCX-UHFFFAOYSA-N 0 1 287.375 3.967 20 0 CHADMN CCC[C@](C)(CC)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000474771151 1123584577 /nfs/dbraw/zinc/58/45/77/1123584577.db2.gz AXMAJIQBSANREP-ZBFHGGJFSA-N 0 1 296.480 3.683 20 0 CHADMN O=C(Nc1ccccc1Cl)c1cc(-c2ccccc2)n[nH]1 ZINC000017024420 1123585886 /nfs/dbraw/zinc/58/58/86/1123585886.db2.gz ZQOHIDZWBIBTFB-UHFFFAOYSA-N 0 1 297.745 3.982 20 0 CHADMN CC[C@@]1(C)COCCN1C[C@@H](OC(C)C)c1ccccc1 ZINC000428301628 1123586421 /nfs/dbraw/zinc/58/64/21/1123586421.db2.gz KSAWZHQPCVBZEO-MSOLQXFVSA-N 0 1 291.435 3.654 20 0 CHADMN CCc1cccc(F)c1CNCc1ccc2c(c1)COC2 ZINC000474797202 1123588225 /nfs/dbraw/zinc/58/82/25/1123588225.db2.gz RFXZVTJPXQPKHY-UHFFFAOYSA-N 0 1 285.362 3.708 20 0 CHADMN COCc1cccc(C[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000179185856 1123600359 /nfs/dbraw/zinc/60/03/59/1123600359.db2.gz HERUNCKXYWEJAQ-UHFFFAOYSA-N 0 1 273.351 3.604 20 0 CHADMN CCON(CC1CCCCC1)C(=O)c1cc(C(C)C)n[nH]1 ZINC000857532190 1123605657 /nfs/dbraw/zinc/60/56/57/1123605657.db2.gz SJFVOZHKERPIOT-UHFFFAOYSA-N 0 1 293.411 3.507 20 0 CHADMN CCc1ccc(CN2Cc3ccccc3C[C@@H]2C)nc1 ZINC000339005772 1123615741 /nfs/dbraw/zinc/61/57/41/1123615741.db2.gz XZXCVUJQBJERAZ-AWEZNQCLSA-N 0 1 266.388 3.591 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1c[nH]nc1C(C)(C)C ZINC000157840576 1129134446 /nfs/dbraw/zinc/13/44/46/1129134446.db2.gz HVLXSVPFFYNOJK-NSHDSACASA-N 0 1 277.437 3.962 20 0 CHADMN Cc1ccc(CN2CC[C@H](Oc3ccc(C4CC4)cn3)C2)o1 ZINC000858015231 1123628833 /nfs/dbraw/zinc/62/88/33/1123628833.db2.gz TVZVUCBOCBJNJO-KRWDZBQOSA-N 0 1 298.386 3.514 20 0 CHADMN Fc1cc(CN[C@@H]2CCSc3c(F)cccc32)ccn1 ZINC000858090398 1123630394 /nfs/dbraw/zinc/63/03/94/1123630394.db2.gz FPOSFUGTCVTREM-CYBMUJFWSA-N 0 1 292.354 3.687 20 0 CHADMN CC(C)O[C@@H](CN1CCC[C@@H]1c1ncc[nH]1)c1ccccc1 ZINC000428306167 1123631840 /nfs/dbraw/zinc/63/18/40/1123631840.db2.gz OAIXTLTWDRZNEI-SJORKVTESA-N 0 1 299.418 3.713 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccnc(F)c1)CCC2 ZINC000858155542 1123635375 /nfs/dbraw/zinc/63/53/75/1123635375.db2.gz DJLJTTOYFCXTSD-OAHLLOKOSA-N 0 1 274.314 3.527 20 0 CHADMN COCc1ccc(CN2Cc3ccccc3[C@@H]2C)cc1 ZINC000339011209 1123641503 /nfs/dbraw/zinc/64/15/03/1123641503.db2.gz QVYZGZJTUMSMNY-AWEZNQCLSA-N 0 1 267.372 3.910 20 0 CHADMN Cc1nc2ccccn2c1CN(C)Cc1ccc(Cl)cc1 ZINC000157957411 1129135326 /nfs/dbraw/zinc/13/53/26/1129135326.db2.gz OYHVWUVEIVPVIK-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1cn3ccccc3n1)CC2 ZINC000671117681 1129135361 /nfs/dbraw/zinc/13/53/61/1129135361.db2.gz KXSIAVQKGWCBEQ-WMLDXEAASA-N 0 1 291.398 3.981 20 0 CHADMN CC(C)c1nc(CN[C@@H](C)c2ccc3ccccc3c2)n[nH]1 ZINC000428308846 1123643930 /nfs/dbraw/zinc/64/39/30/1123643930.db2.gz IXZHYEBFAWXYJI-ZDUSSCGKSA-N 0 1 294.402 3.932 20 0 CHADMN CC[C@@]1(C)CN(Cc2cccc(-c3ccccn3)c2)CCO1 ZINC000443863280 1123644223 /nfs/dbraw/zinc/64/42/23/1123644223.db2.gz QPGPBKQCEOIPKA-IBGZPJMESA-N 0 1 296.414 3.750 20 0 CHADMN Clc1csc(NC[C@@H](c2ccco2)N2CCCC2)n1 ZINC000858315566 1123644450 /nfs/dbraw/zinc/64/44/50/1123644450.db2.gz SCLGGBMXDQHFPI-JTQLQIEISA-N 0 1 297.811 3.639 20 0 CHADMN C[C@H](NCc1ccc(OCC2CC2)cc1)c1ccns1 ZINC000858317393 1123644493 /nfs/dbraw/zinc/64/44/93/1123644493.db2.gz YQLYWPFZTMKXMZ-LBPRGKRZSA-N 0 1 288.416 3.783 20 0 CHADMN CC(C)n1cncc1CN[C@@H]1CCc2ccc(Cl)cc21 ZINC000858321048 1123645216 /nfs/dbraw/zinc/64/52/16/1123645216.db2.gz QNMFYCWLEDSYHM-MRXNPFEDSA-N 0 1 289.810 3.895 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2ncccc2C(F)(F)F)C1 ZINC000157992180 1129135870 /nfs/dbraw/zinc/13/58/70/1129135870.db2.gz DAOBRAHIQYPUJN-GHMZBOCLSA-N 0 1 272.314 3.578 20 0 CHADMN Cc1ccc(CNCc2cnc(C(F)(F)F)s2)s1 ZINC000443955612 1123651606 /nfs/dbraw/zinc/65/16/06/1123651606.db2.gz DWTILSDQEBPXRV-UHFFFAOYSA-N 0 1 292.351 3.822 20 0 CHADMN Cc1csc([C@H](C)N[C@H](C)[C@@H](O)c2ccc(C)cc2)n1 ZINC000858416172 1123651870 /nfs/dbraw/zinc/65/18/70/1123651870.db2.gz KCSZYCKRGSPEGZ-VNHYZAJKSA-N 0 1 290.432 3.533 20 0 CHADMN c1nc2c(s1)CCC[C@H]2Nc1cc2c(cn1)CCCC2 ZINC000858419795 1123651946 /nfs/dbraw/zinc/65/19/46/1123651946.db2.gz DPHZUNWNKZGCJJ-CYBMUJFWSA-N 0 1 285.416 3.906 20 0 CHADMN CCc1nc(CN2CC3(CC=CC3)[C@@H]2C(C)C)cs1 ZINC000648072586 1123652654 /nfs/dbraw/zinc/65/26/54/1123652654.db2.gz JULFACBSHNCUOE-HNNXBMFYSA-N 0 1 276.449 3.882 20 0 CHADMN c1n[nH]c2c1[C@@H](Nc1cccc(C3CCOCC3)c1)CCC2 ZINC000858524037 1123659864 /nfs/dbraw/zinc/65/98/64/1123659864.db2.gz CFFQUODTMWEVJR-KRWDZBQOSA-N 0 1 297.402 3.793 20 0 CHADMN CCCOc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1F ZINC000858570687 1123663032 /nfs/dbraw/zinc/66/30/32/1123663032.db2.gz NWDRFZIQBOOKGN-AWEZNQCLSA-N 0 1 289.354 3.827 20 0 CHADMN Cc1cccc(CN2CC[C@H](c3c(F)cccc3F)C2)n1 ZINC000346091755 1123663330 /nfs/dbraw/zinc/66/33/30/1123663330.db2.gz LQDRDKFCOMHLTD-ZDUSSCGKSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1cccc(CN2CC[C@@H](c3c(F)cccc3F)C2)n1 ZINC000346091753 1123663453 /nfs/dbraw/zinc/66/34/53/1123663453.db2.gz LQDRDKFCOMHLTD-CYBMUJFWSA-N 0 1 288.341 3.658 20 0 CHADMN COc1cccc2c1CCC[C@@H]2N[C@@H](C)c1ccns1 ZINC000858576116 1123663898 /nfs/dbraw/zinc/66/38/98/1123663898.db2.gz ILBIRYHEIOJPOT-FZMZJTMJSA-N 0 1 288.416 3.880 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c(O)cccc21)c1ccns1 ZINC000858578439 1123665664 /nfs/dbraw/zinc/66/56/64/1123665664.db2.gz ZVQQIAUBWDQHGU-MFKMUULPSA-N 0 1 274.389 3.577 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@@H]1CCc2ccc(Cl)cc21 ZINC000858582641 1123665703 /nfs/dbraw/zinc/66/57/03/1123665703.db2.gz RWPLFWQPRNRPME-MEDUHNTESA-N 0 1 287.794 3.777 20 0 CHADMN C[C@@H](c1ccco1)N(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000346194297 1123671349 /nfs/dbraw/zinc/67/13/49/1123671349.db2.gz YHCAXFRVXDLETB-LBPRGKRZSA-N 0 1 295.342 3.503 20 0 CHADMN Fc1cccc(CN2CCC(c3ncc[nH]3)CC2)c1Cl ZINC000339014966 1123673431 /nfs/dbraw/zinc/67/34/31/1123673431.db2.gz VCUBFQKAHJKBQQ-UHFFFAOYSA-N 0 1 293.773 3.582 20 0 CHADMN CSCCCCCCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000858841237 1123673760 /nfs/dbraw/zinc/67/37/60/1123673760.db2.gz PXVHSSDTMNOYHP-UHFFFAOYSA-N 0 1 291.420 3.815 20 0 CHADMN CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000281151079 1123685443 /nfs/dbraw/zinc/68/54/43/1123685443.db2.gz JZHBDTQIDVOLPE-CHWSQXEVSA-N 0 1 298.390 3.627 20 0 CHADMN C[C@@H](N[C@H](c1cccnc1)c1ccc(F)cc1F)C1CC1 ZINC000346469412 1123687898 /nfs/dbraw/zinc/68/78/98/1123687898.db2.gz BLSOQNGWGYFYJX-PIGZYNQJSA-N 0 1 288.341 3.837 20 0 CHADMN Fc1cncc([C@H](NCc2ccsc2)C2CC2)c1 ZINC000281235301 1123690128 /nfs/dbraw/zinc/69/01/28/1123690128.db2.gz MRONRZUZTDPPMW-CQSZACIVSA-N 0 1 262.353 3.523 20 0 CHADMN C[C@H](N[C@@H](C)[C@H]1CCCO1)c1nc(C(C)(C)C)cs1 ZINC000346570404 1123693983 /nfs/dbraw/zinc/69/39/83/1123693983.db2.gz XNSDCJSQAMZXNH-SDDRHHMPSA-N 0 1 282.453 3.659 20 0 CHADMN C[C@H](N[C@@H](C)[C@@H]1CCCO1)c1nc(C(C)(C)C)cs1 ZINC000346570406 1123694028 /nfs/dbraw/zinc/69/40/28/1123694028.db2.gz XNSDCJSQAMZXNH-SRVKXCTJSA-N 0 1 282.453 3.659 20 0 CHADMN CS[C@@H]1CC[C@H]1N[C@H](c1ccco1)c1ccccc1 ZINC000346595682 1123695880 /nfs/dbraw/zinc/69/58/80/1123695880.db2.gz FTEQDVNMQAAVBV-BMFZPTHFSA-N 0 1 273.401 3.853 20 0 CHADMN CCCN(Cc1cc(C)on1)[C@@H]1CCc2ccccc21 ZINC000346589929 1123696170 /nfs/dbraw/zinc/69/61/70/1123696170.db2.gz ZQZNOQBDLLHIQR-QGZVFWFLSA-N 0 1 270.376 3.883 20 0 CHADMN C[C@@H](c1nc(-c2ccc3[nH]cnc3c2)no1)c1ccccc1 ZINC000346597523 1123697053 /nfs/dbraw/zinc/69/70/53/1123697053.db2.gz IDHCHNUVQXSNKZ-LLVKDONJSA-N 0 1 290.326 3.765 20 0 CHADMN CCn1ccnc1CN1CCCC2(CCCCC2)CC1 ZINC000346687149 1123707029 /nfs/dbraw/zinc/70/70/29/1123707029.db2.gz VRQFWMFXXINALC-UHFFFAOYSA-N 0 1 275.440 3.839 20 0 CHADMN C[N@@H+](CCC(C)(C)C(=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000859803488 1123710367 /nfs/dbraw/zinc/71/03/67/1123710367.db2.gz BWFAJJSLEVVHPR-PHIMTYICSA-N 0 1 295.345 3.540 20 0 CHADMN CCCCN(C)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000158156842 1129140494 /nfs/dbraw/zinc/14/04/94/1129140494.db2.gz JSVCRNIIDGCGEC-UHFFFAOYSA-N 0 1 299.340 3.824 20 0 CHADMN C/C=C/c1ccc(NC(=O)Nc2c(C)n[nH]c2C)cc1 ZINC000335967685 1123720695 /nfs/dbraw/zinc/72/06/95/1123720695.db2.gz XAGUDTWBKOSYBJ-SNAWJCMRSA-N 0 1 270.336 3.704 20 0 CHADMN Cc1nn(C(C)C)cc1CNC1(c2ccccc2)CC1 ZINC000281549866 1123725636 /nfs/dbraw/zinc/72/56/36/1123725636.db2.gz ZUVDQGLNTQHUOJ-UHFFFAOYSA-N 0 1 269.392 3.551 20 0 CHADMN Cc1cc(F)ccc1CN1CCC[C@H]1c1cccnc1 ZINC000346991250 1123739512 /nfs/dbraw/zinc/73/95/12/1123739512.db2.gz UCMUHVPSOLCBHS-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CN(C)c1ccccc1CN[C@@H](c1cncc(F)c1)C1CC1 ZINC000281696377 1123740049 /nfs/dbraw/zinc/74/00/49/1123740049.db2.gz SKRIOZKYFGQHFE-GOSISDBHSA-N 0 1 299.393 3.528 20 0 CHADMN Cc1n[nH]cc1CN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000648074286 1123744537 /nfs/dbraw/zinc/74/45/37/1123744537.db2.gz LHHATDAMEQIICK-QGZVFWFLSA-N 0 1 279.387 3.611 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc2ccccc2o1 ZINC000262385681 1123746580 /nfs/dbraw/zinc/74/65/80/1123746580.db2.gz ZFIHEZBHUNUVGR-MAZHCROVSA-N 0 1 299.370 3.651 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC(c3ccsc3)CC2)cn1 ZINC000336274166 1123754514 /nfs/dbraw/zinc/75/45/14/1123754514.db2.gz WGWIOTIQQNCFAG-CYBMUJFWSA-N 0 1 287.432 3.787 20 0 CHADMN CC[C@@H](N[C@H](C)c1cc(C)n(C)n1)c1ccc(OC)cc1 ZINC000281942302 1123754934 /nfs/dbraw/zinc/75/49/34/1123754934.db2.gz ADGCQSUXPMDXHL-CZUORRHYSA-N 0 1 287.407 3.539 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](O)CC(C)(C)C1 ZINC000336302750 1123758499 /nfs/dbraw/zinc/75/84/99/1123758499.db2.gz DDYUQFQHWHALLA-CHWSQXEVSA-N 0 1 294.439 3.516 20 0 CHADMN CCOC(=O)[C@H](CC)N1CCC[C@@H]1c1ccc(C)s1 ZINC000444161583 1123763317 /nfs/dbraw/zinc/76/33/17/1123763317.db2.gz RNJRXDFSHLSJDZ-QWHCGFSZSA-N 0 1 281.421 3.535 20 0 CHADMN CCN(CC(=O)c1cc(C)n(C2CC2)c1C)CC(C)C ZINC000444263065 1123776123 /nfs/dbraw/zinc/77/61/23/1123776123.db2.gz FJWHAHKFCUTLHG-UHFFFAOYSA-N 0 1 276.424 3.600 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccncn1)c1cccc(Cl)c1 ZINC000395829664 1123778791 /nfs/dbraw/zinc/77/87/91/1123778791.db2.gz UJKIRMMJMBPSGV-MNOVXSKESA-N 0 1 261.756 3.542 20 0 CHADMN CCc1ccc(CN(C)Cc2ccnc(F)c2C)cc1 ZINC000862212019 1123792138 /nfs/dbraw/zinc/79/21/38/1123792138.db2.gz FBURYPXODTVQJZ-UHFFFAOYSA-N 0 1 272.367 3.724 20 0 CHADMN Cc1cccnc1[C@H](NCc1ccc(Cl)nc1)C(C)C ZINC000118839206 1123794002 /nfs/dbraw/zinc/79/40/02/1123794002.db2.gz MDEKHUCTNWRALY-OAHLLOKOSA-N 0 1 289.810 3.925 20 0 CHADMN Cc1nc(CN2CCC[C@H](c3ccccc3)CC2)[nH]c1C ZINC000862238580 1123794124 /nfs/dbraw/zinc/79/41/24/1123794124.db2.gz AZLGDZIPILKNIO-KRWDZBQOSA-N 0 1 283.419 3.796 20 0 CHADMN Cc1c(CN[C@@H]2CSCc3ccccc32)ccnc1F ZINC000862275032 1123797269 /nfs/dbraw/zinc/79/72/69/1123797269.db2.gz JKYZCSKPVHGFOC-OAHLLOKOSA-N 0 1 288.391 3.607 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1ccncn1)c1ccccc1 ZINC000395922047 1123797263 /nfs/dbraw/zinc/79/72/63/1123797263.db2.gz UINXLBQCRPUBFC-CZUORRHYSA-N 0 1 255.365 3.525 20 0 CHADMN Cc1c(CN[C@H]2CSCc3ccccc32)ccnc1F ZINC000862275030 1123797493 /nfs/dbraw/zinc/79/74/93/1123797493.db2.gz JKYZCSKPVHGFOC-HNNXBMFYSA-N 0 1 288.391 3.607 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)C(C)(C)C)c1ccncn1 ZINC000395936765 1123798471 /nfs/dbraw/zinc/79/84/71/1123798471.db2.gz ZMJYRYSELGRQBI-BBRMVZONSA-N 0 1 269.392 3.915 20 0 CHADMN Cc1c(F)nccc1CNC(C)(C)c1ccc(F)c(F)c1 ZINC000862283158 1123798460 /nfs/dbraw/zinc/79/84/60/1123798460.db2.gz BVDMWHGSQCAEIN-UHFFFAOYSA-N 0 1 294.320 3.832 20 0 CHADMN CN(C)Cc1ccc(NCc2ccnc(F)c2)cc1Cl ZINC000862351170 1123801627 /nfs/dbraw/zinc/80/16/27/1123801627.db2.gz LFGKPILUFDJVDH-UHFFFAOYSA-N 0 1 293.773 3.548 20 0 CHADMN Cc1nc(CN2C[C@H](C)C[C@@H]2c2ccccc2)[nH]c1C ZINC000862365544 1123803310 /nfs/dbraw/zinc/80/33/10/1123803310.db2.gz BHFMBVBMNXBJQL-MLGOLLRUSA-N 0 1 269.392 3.610 20 0 CHADMN C[C@@]1(CN2Cc3cccc(Cl)c3C2)CCCS1 ZINC000862368931 1123804615 /nfs/dbraw/zinc/80/46/15/1123804615.db2.gz NLJYIZNJUXACMI-AWEZNQCLSA-N 0 1 267.825 3.941 20 0 CHADMN C/C=C/C[C@H]1CCCN(Cc2coc(C3CC3)n2)C1 ZINC000862551049 1123819284 /nfs/dbraw/zinc/81/92/84/1123819284.db2.gz QHGCYBJAOYIQPS-IBUXWKBASA-N 0 1 260.381 3.730 20 0 CHADMN CC1(C)C[C@@H](NCc2ccncc2F)c2ccccc21 ZINC000335167228 1123843026 /nfs/dbraw/zinc/84/30/26/1123843026.db2.gz BXXHALUICOGNDI-MRXNPFEDSA-N 0 1 270.351 3.733 20 0 CHADMN CCN(Cc1cnoc1C)[C@@H](C)c1cccc(OC)c1 ZINC000158637349 1129149182 /nfs/dbraw/zinc/14/91/82/1129149182.db2.gz NDNMDOYSEDOQSX-LBPRGKRZSA-N 0 1 274.364 3.575 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2cncs2)c(C)o1 ZINC000119384867 1123858073 /nfs/dbraw/zinc/85/80/73/1123858073.db2.gz KXKFCISWKPBBRC-ZJUUUORDSA-N 0 1 250.367 3.765 20 0 CHADMN COc1ccccc1CN(C)[C@@H](C)c1cccs1 ZINC000158656029 1129150089 /nfs/dbraw/zinc/15/00/89/1129150089.db2.gz VJBBGNYNWFZUKR-LBPRGKRZSA-N 0 1 261.390 3.950 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnc(C)cn1)c1cccs1 ZINC000428342307 1123873500 /nfs/dbraw/zinc/87/35/00/1123873500.db2.gz ADKSAIMKVFQYGM-NWDGAFQWSA-N 0 1 261.394 3.648 20 0 CHADMN CC[C@H](C)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000248373672 1123881422 /nfs/dbraw/zinc/88/14/22/1123881422.db2.gz KNUCRNYEAOKBEJ-SMDDNHRTSA-N 0 1 287.325 3.877 20 0 CHADMN CCN[C@@H](C)c1nc(-c2ccc3cc(OC)ccc3c2)no1 ZINC000863659790 1123884955 /nfs/dbraw/zinc/88/49/55/1123884955.db2.gz IJAWWQLMHXAGPY-NSHDSACASA-N 0 1 297.358 3.569 20 0 CHADMN CCCC[C@H](NC(=O)Cc1[nH]nc2ccccc21)C1CCC1 ZINC000158773972 1129151669 /nfs/dbraw/zinc/15/16/69/1129151669.db2.gz RMSXKFWPUNFAFV-HNNXBMFYSA-N 0 1 299.418 3.581 20 0 CHADMN CCCC[C@@H](NC(=O)Cc1[nH]nc2ccccc21)C1CCC1 ZINC000158774101 1129151977 /nfs/dbraw/zinc/15/19/77/1129151977.db2.gz RMSXKFWPUNFAFV-OAHLLOKOSA-N 0 1 299.418 3.581 20 0 CHADMN CC(C)C[C@@H](CCO)CNc1ccnc2cc(F)ccc21 ZINC000301422374 1123899824 /nfs/dbraw/zinc/89/98/24/1123899824.db2.gz JBWZRQZUPBXCPD-CYBMUJFWSA-N 0 1 290.382 3.831 20 0 CHADMN C[C@H](C[N@H+]1CCC[C@@H]1c1ncc[nH]1)C1CCCCC1 ZINC000339064898 1123900985 /nfs/dbraw/zinc/90/09/85/1123900985.db2.gz WVRXAEMFBSYUDM-UKRRQHHQSA-N 0 1 261.413 3.763 20 0 CHADMN Fc1ccc2c(c1)nccc2N1C[C@H]2CCC[C@@H]2C1 ZINC000301589217 1123915019 /nfs/dbraw/zinc/91/50/19/1123915019.db2.gz CHZGNJUNFGWSMR-VXGBXAGGSA-N 0 1 256.324 3.610 20 0 CHADMN Clc1cnccc1NC[C@H](c1ccco1)N1CCCC1 ZINC000301591208 1123915436 /nfs/dbraw/zinc/91/54/36/1123915436.db2.gz QRGTWYSDCTYXPW-CQSZACIVSA-N 0 1 291.782 3.577 20 0 CHADMN FC(F)(F)c1cnccc1NCC[C@H]1CC1(Cl)Cl ZINC000864093010 1123916798 /nfs/dbraw/zinc/91/67/98/1123916798.db2.gz CRJKJQVHWKRGHU-ZETCQYMHSA-N 0 1 299.123 3.518 20 0 CHADMN CC[C@@H](CNc1cc(C)ccn1)Oc1ccccc1F ZINC000301652178 1123921376 /nfs/dbraw/zinc/92/13/76/1123921376.db2.gz QOESAOQZMXMVAL-ZDUSSCGKSA-N 0 1 274.339 3.799 20 0 CHADMN Fc1ccc2c(c1)nccc2N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000301678158 1123923711 /nfs/dbraw/zinc/92/37/11/1123923711.db2.gz UAIGIEGURAVAFZ-VBQJREDUSA-N 0 1 286.350 3.743 20 0 CHADMN O=c1nc(CC2(c3ccccc3)CC2)[nH]c2ccsc21 ZINC000864354832 1123924717 /nfs/dbraw/zinc/92/47/17/1123924717.db2.gz CCPKWPGBLYLNKW-UHFFFAOYSA-N 0 1 282.368 3.671 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000864361027 1123924920 /nfs/dbraw/zinc/92/49/20/1123924920.db2.gz RQWWEHBQSLXYFY-ZMSDIMECSA-N 0 1 281.440 3.802 20 0 CHADMN O[C@@H](c1ccccc1)[C@H](NC/C=C\Cl)c1ccccc1 ZINC000794671650 1123925689 /nfs/dbraw/zinc/92/56/89/1123925689.db2.gz WEMVRQDQDLMJDO-FFYLZMLBSA-N 0 1 287.790 3.803 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2ccc(C(C)(C)C)cc2)[nH]1 ZINC000621257987 1129153922 /nfs/dbraw/zinc/15/39/22/1129153922.db2.gz SZYZBTDYQCQHDI-UHFFFAOYSA-N 0 1 271.364 3.576 20 0 CHADMN CC(C)[C@H](O)C(C)(C)CNc1ccnc2cc(F)ccc21 ZINC000301832814 1123936571 /nfs/dbraw/zinc/93/65/71/1123936571.db2.gz UKYJMKTWBIBPFM-INIZCTEOSA-N 0 1 290.382 3.829 20 0 CHADMN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccn[nH]1 ZINC000339070425 1123937985 /nfs/dbraw/zinc/93/79/85/1123937985.db2.gz NKMFKVULUOCQNV-QMMMGPOBSA-N 0 1 298.173 3.550 20 0 CHADMN c1cn2c(n1)[C@@H](NCc1ccccc1-c1ccccc1)CC2 ZINC001202514133 1123940591 /nfs/dbraw/zinc/94/05/91/1123940591.db2.gz UATLJISHXDRALT-SFHVURJKSA-N 0 1 289.382 3.785 20 0 CHADMN C[C@@]1(c2ccccc2)CCN(Cc2cncc(Cl)c2)C1 ZINC000621262326 1129154698 /nfs/dbraw/zinc/15/46/98/1129154698.db2.gz WXLINHQJKRMWPU-QGZVFWFLSA-N 0 1 286.806 3.899 20 0 CHADMN CCC=C(F)C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000864761360 1123945204 /nfs/dbraw/zinc/94/52/04/1123945204.db2.gz HXCATZLNRAFFNB-DPQIITEBSA-N 0 1 289.354 3.640 20 0 CHADMN Cc1nccc(N2CC[C@H](Cc3nccs3)C2)c1Cl ZINC000897282839 1123954417 /nfs/dbraw/zinc/95/44/17/1123954417.db2.gz WDWYECDADUUXFE-LLVKDONJSA-N 0 1 293.823 3.569 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2cncc(Cl)c2)CC1 ZINC000621257472 1129156230 /nfs/dbraw/zinc/15/62/30/1129156230.db2.gz YUGVHNIMBIZPGQ-OAHLLOKOSA-N 0 1 282.815 3.516 20 0 CHADMN C[C@H]1CC[C@H](NCc2cccnc2F)c2ccccc21 ZINC000794832688 1123968998 /nfs/dbraw/zinc/96/89/98/1123968998.db2.gz DAMXKKZPUAZNJX-LRDDRELGSA-N 0 1 270.351 3.949 20 0 CHADMN FC(F)c1ccc(CNc2cc3c(cn2)CCCC3)cn1 ZINC000865292759 1123970881 /nfs/dbraw/zinc/97/08/81/1123970881.db2.gz SBWKYDBCIDICQT-UHFFFAOYSA-N 0 1 289.329 3.905 20 0 CHADMN Cc1cccc2c1[C@@H](C)C[C@H]2NCc1cccnc1F ZINC000794836536 1123971827 /nfs/dbraw/zinc/97/18/27/1123971827.db2.gz QQTXWVVACMPLJG-SWLSCSKDSA-N 0 1 270.351 3.867 20 0 CHADMN Fc1ccc2c(c1)CCC[C@H]2NCc1cccnc1F ZINC000794836117 1123972247 /nfs/dbraw/zinc/97/22/47/1123972247.db2.gz RYNHWPIXMOYWRV-OAHLLOKOSA-N 0 1 274.314 3.527 20 0 CHADMN Fc1ccc([C@@H](NCc2cccnc2F)C2CC2)cc1 ZINC000794836252 1123972344 /nfs/dbraw/zinc/97/23/44/1123972344.db2.gz OQSSTUWAAVKBCY-HNNXBMFYSA-N 0 1 274.314 3.601 20 0 CHADMN CC1(C)CN(c2ccnc3cc(F)ccc32)CC(C)(C)O1 ZINC000302611704 1123974872 /nfs/dbraw/zinc/97/48/72/1123974872.db2.gz BOLCXCLAFNKRAE-UHFFFAOYSA-N 0 1 288.366 3.768 20 0 CHADMN Cc1cc(C)c(Cn2cnc(C(C)(C)C)c2)c(C)n1 ZINC000865376313 1123976571 /nfs/dbraw/zinc/97/65/71/1123976571.db2.gz ITXRMUIZXHHGKA-UHFFFAOYSA-N 0 1 257.381 3.549 20 0 CHADMN CN(C)[C@@H](CNc1ccnc2c(F)cccc12)c1ccco1 ZINC000302680728 1123977066 /nfs/dbraw/zinc/97/70/66/1123977066.db2.gz OWDRRXAYSBSFCV-HNNXBMFYSA-N 0 1 299.349 3.682 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccnc(C(C)C)n1 ZINC000302710692 1123979352 /nfs/dbraw/zinc/97/93/52/1123979352.db2.gz KNXFPVDVYUWSIE-UHFFFAOYSA-N 0 1 267.336 3.528 20 0 CHADMN CC(C)[C@@H](NCc1cn(C2CC2)cn1)c1ccccc1 ZINC000865405814 1123981279 /nfs/dbraw/zinc/98/12/79/1123981279.db2.gz XAPBQIXDXWSHKI-QGZVFWFLSA-N 0 1 269.392 3.705 20 0 CHADMN FC(F)(F)c1cnccc1N1CCC[C@@H](C(F)(F)F)C1 ZINC000865406214 1123981356 /nfs/dbraw/zinc/98/13/56/1123981356.db2.gz MKFDHKOMVHJIGD-MRVPVSSYSA-N 0 1 298.230 3.879 20 0 CHADMN FC(F)(F)c1cnccc1N1CCC[C@@H]1c1cccnc1 ZINC000865418268 1123982041 /nfs/dbraw/zinc/98/20/41/1123982041.db2.gz DJEIASSXWPXZDC-CYBMUJFWSA-N 0 1 293.292 3.837 20 0 CHADMN CCCn1cc(CN[C@H](c2ccccc2)C2CCCC2)nn1 ZINC000865435581 1123984152 /nfs/dbraw/zinc/98/41/52/1123984152.db2.gz PRJYHEFSSRRBIJ-GOSISDBHSA-N 0 1 298.434 3.709 20 0 CHADMN Cc1noc(C)c1CNCc1cccc(CC2CCC2)c1 ZINC000865430977 1123984275 /nfs/dbraw/zinc/98/42/75/1123984275.db2.gz XEYCXUVESYGYTK-UHFFFAOYSA-N 0 1 284.403 3.924 20 0 CHADMN CC[C@@H](NCc1ccsc1)c1c(C)noc1C ZINC000121304863 1123984715 /nfs/dbraw/zinc/98/47/15/1123984715.db2.gz IZNAEHPFOLYTBD-GFCCVEGCSA-N 0 1 250.367 3.594 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cc3c(cc[nH]c3=O)o1)CC2 ZINC000865454680 1123986614 /nfs/dbraw/zinc/98/66/14/1123986614.db2.gz HEWQHNYWHLCJEP-MRXNPFEDSA-N 0 1 294.354 3.619 20 0 CHADMN CO[C@H](CNCc1nc(C(C)(C)C)cs1)C(C)(C)C ZINC000865480279 1123988434 /nfs/dbraw/zinc/98/84/34/1123988434.db2.gz YRSNKRUHHDIFHV-GFCCVEGCSA-N 0 1 284.469 3.591 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccnc2F)cc1C ZINC000794838702 1123988626 /nfs/dbraw/zinc/98/86/26/1123988626.db2.gz ZVHVLRZENLRDNH-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN C[N@@H+](CCCC(=O)[O-])Cc1cccc(-c2ccccc2)c1 ZINC000337273675 1123989477 /nfs/dbraw/zinc/98/94/77/1123989477.db2.gz CWPNCNBWKQAYSC-UHFFFAOYSA-N 0 1 283.371 3.650 20 0 CHADMN CCc1nc([C@@H](C)NCc2cccc(CC3CCC3)c2)n[nH]1 ZINC000865512371 1123991236 /nfs/dbraw/zinc/99/12/36/1123991236.db2.gz BHKXOBLLGINZGI-CYBMUJFWSA-N 0 1 298.434 3.561 20 0 CHADMN COc1ccc([C@H](C)NCc2cncc(Cl)c2)cc1F ZINC000621272906 1129159381 /nfs/dbraw/zinc/15/93/81/1129159381.db2.gz GDSISZHKUZCEPC-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN FC1(F)CCC[C@H]1CNCc1c(Cl)cncc1Cl ZINC000865589226 1123996933 /nfs/dbraw/zinc/99/69/33/1123996933.db2.gz DFGYMZRQLCQZJN-QMMMGPOBSA-N 0 1 295.160 3.913 20 0 CHADMN COc1cc(CNc2nccn2C2CC2)ccc1SC ZINC000840887676 1123999151 /nfs/dbraw/zinc/99/91/51/1123999151.db2.gz SWRUQBDZFWWPAS-UHFFFAOYSA-N 0 1 289.404 3.561 20 0 CHADMN Clc1cncc(Cl)c1CNCC1=CCCC1 ZINC000865632047 1124000733 /nfs/dbraw/zinc/00/07/33/1124000733.db2.gz KJYZGTRDIWQHRT-UHFFFAOYSA-N 0 1 257.164 3.588 20 0 CHADMN c1snnc1CN[C@H]1CCC[C@H](c2ccccc2)CC1 ZINC000865678032 1124003963 /nfs/dbraw/zinc/00/39/63/1124003963.db2.gz SUXMTHQVTSPUMV-GJZGRUSLSA-N 0 1 287.432 3.744 20 0 CHADMN COc1cccc(C2(NCc3cncc(Cl)c3)CC2)c1 ZINC000621274795 1129160359 /nfs/dbraw/zinc/16/03/59/1129160359.db2.gz ZZXJMYBHZBATIO-UHFFFAOYSA-N 0 1 288.778 3.523 20 0 CHADMN CC(C)(C)c1csc(CNC(C)(C)[C@@H]2CCCCO2)n1 ZINC000865744230 1124009591 /nfs/dbraw/zinc/00/95/91/1124009591.db2.gz POPXBIJDNZISCW-ZDUSSCGKSA-N 0 1 296.480 3.878 20 0 CHADMN CCC(CC)(CNCc1nccs1)C(F)(F)F ZINC000865756840 1124011838 /nfs/dbraw/zinc/01/18/38/1124011838.db2.gz FDHZKNWUXYVXHZ-UHFFFAOYSA-N 0 1 266.332 3.601 20 0 CHADMN FC(F)(F)c1cnc(CNCCCCC2CC2)s1 ZINC000865786197 1124013952 /nfs/dbraw/zinc/01/39/52/1124013952.db2.gz FEHUGCQFMOMZHX-UHFFFAOYSA-N 0 1 278.343 3.832 20 0 CHADMN CO[C@@]1(C)CCC[N@@H+](Cc2cccc(Cl)c2F)CC1 ZINC000475566166 1124014441 /nfs/dbraw/zinc/01/44/41/1124014441.db2.gz RUIMLTIDFPGLLM-HNNXBMFYSA-N 0 1 285.790 3.870 20 0 CHADMN CO[C@@]1(C)CCCN(Cc2cccc(Cl)c2F)CC1 ZINC000475566166 1124014446 /nfs/dbraw/zinc/01/44/46/1124014446.db2.gz RUIMLTIDFPGLLM-HNNXBMFYSA-N 0 1 285.790 3.870 20 0 CHADMN CCCc1cccc(C[N@@H+](C)Cc2cnccc2C)c1 ZINC000475573926 1124015380 /nfs/dbraw/zinc/01/53/80/1124015380.db2.gz URRWRHNSOQGFLE-UHFFFAOYSA-N 0 1 268.404 3.975 20 0 CHADMN CCCc1cccc(CN(C)Cc2cnccc2C)c1 ZINC000475573926 1124015383 /nfs/dbraw/zinc/01/53/83/1124015383.db2.gz URRWRHNSOQGFLE-UHFFFAOYSA-N 0 1 268.404 3.975 20 0 CHADMN CCc1nc(C)c(CNC2(c3ccccc3)CCC2)o1 ZINC000428362161 1124016176 /nfs/dbraw/zinc/01/61/76/1124016176.db2.gz HRPZWWFKLYZVAF-UHFFFAOYSA-N 0 1 270.376 3.714 20 0 CHADMN Cn1cnc2cc(CNCc3ccc(C(C)(C)C)o3)ccc21 ZINC000865815323 1124016649 /nfs/dbraw/zinc/01/66/49/1124016649.db2.gz YTCWKYQSVZDCHK-UHFFFAOYSA-N 0 1 297.402 3.754 20 0 CHADMN CCC[C@@H](NCc1c(C)noc1C)c1ccccc1 ZINC000035013193 1124024304 /nfs/dbraw/zinc/02/43/04/1124024304.db2.gz MLDNNKXRCDAFTO-MRXNPFEDSA-N 0 1 258.365 3.922 20 0 CHADMN CCc1nc(CNC/C(C)=C/c2ccccc2)cs1 ZINC000107715708 1124024901 /nfs/dbraw/zinc/02/49/01/1124024901.db2.gz VIXHOLQSEGRIEA-UKTHLTGXSA-N 0 1 272.417 3.899 20 0 CHADMN CC[C@H](C)CONC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000794877014 1124025824 /nfs/dbraw/zinc/02/58/24/1124025824.db2.gz YVAAQLAJMLBRLO-DTWKUNHWSA-N 0 1 275.801 3.599 20 0 CHADMN FCC[C@H]1CCCN(c2ccncc2C(F)(F)F)C1 ZINC000865943151 1124026257 /nfs/dbraw/zinc/02/62/57/1124026257.db2.gz HJIZNPVHUKEOPD-SNVBAGLBSA-N 0 1 276.277 3.676 20 0 CHADMN CC[C@@H](C)CONC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000794877017 1124026500 /nfs/dbraw/zinc/02/65/00/1124026500.db2.gz YVAAQLAJMLBRLO-RKDXNWHRSA-N 0 1 275.801 3.599 20 0 CHADMN CCC1(CC)[C@H](NCc2ncc(C(C)C)o2)[C@H](C)[C@@H]1OC ZINC000759612109 1124029100 /nfs/dbraw/zinc/02/91/00/1124029100.db2.gz LMTSESBGHXLTHU-MAZHCROVSA-N 0 1 294.439 3.727 20 0 CHADMN C[C@@H]1CCc2ccc(F)cc2[C@@H]1NCc1ccoc1 ZINC000866240337 1124040601 /nfs/dbraw/zinc/04/06/01/1124040601.db2.gz BTULYZMBYQIENQ-BDJLRTHQSA-N 0 1 259.324 3.832 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1c2cc(F)ccc2CC[C@@H]1C ZINC000866243147 1124040828 /nfs/dbraw/zinc/04/08/28/1124040828.db2.gz STPYOZQPOIQYDQ-BTDLBPIBSA-N 0 1 288.366 3.844 20 0 CHADMN Cc1cc(CN[C@H]2CCc3cccc4cccc2c43)on1 ZINC000866260527 1124042336 /nfs/dbraw/zinc/04/23/36/1124042336.db2.gz LLRXGGHTTWOJQF-KRWDZBQOSA-N 0 1 278.355 3.913 20 0 CHADMN C[C@H]1CCc2ccc(F)cc2[C@@H]1NCc1ccc(F)cn1 ZINC000866286904 1124047068 /nfs/dbraw/zinc/04/70/68/1124047068.db2.gz GAHCOXJXNHFBKS-APPDUMDISA-N 0 1 288.341 3.773 20 0 CHADMN C[C@@H]1CCc2ccc(F)cc2[C@H]1NCc1ccc(F)cn1 ZINC000866286905 1124047181 /nfs/dbraw/zinc/04/71/81/1124047181.db2.gz GAHCOXJXNHFBKS-DIFFPNOSSA-N 0 1 288.341 3.773 20 0 CHADMN CSc1cc(CN[C@H](c2ccccn2)C(C)C)ccn1 ZINC000866288766 1124048601 /nfs/dbraw/zinc/04/86/01/1124048601.db2.gz MZONAVFNCBYREJ-INIZCTEOSA-N 0 1 287.432 3.685 20 0 CHADMN C[C@@H]1CCCC[C@H]1N(C)Cc1ncc(Cl)s1 ZINC000444661878 1124049246 /nfs/dbraw/zinc/04/92/46/1124049246.db2.gz BFIDMGKYIMNURU-NXEZZACHSA-N 0 1 258.818 3.807 20 0 CHADMN CSc1ccccc1[C@H](N[C@H]1CCOC1)c1ccccc1 ZINC000866311398 1124049860 /nfs/dbraw/zinc/04/98/60/1124049860.db2.gz ZVQYCCDTFMESHH-MAUKXSAKSA-N 0 1 299.439 3.876 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1nncn1-c1ccccc1 ZINC000444668983 1124052183 /nfs/dbraw/zinc/05/21/83/1124052183.db2.gz VFYPDKNXNBIRIE-DOTOQJQBSA-N 0 1 298.434 3.668 20 0 CHADMN Cc1nc(C(C)C)ccc1CN1CCC[C@@H]1c1cn[nH]c1 ZINC000639776527 1124056463 /nfs/dbraw/zinc/05/64/63/1124056463.db2.gz BLAPLSNYPLBDTR-QGZVFWFLSA-N 0 1 284.407 3.574 20 0 CHADMN C[C@H](N[C@H]1CCc2cccc3cccc1c32)c1nccn1C ZINC000866391676 1124060741 /nfs/dbraw/zinc/06/07/41/1124060741.db2.gz NFOMSLRQEIBDFQ-GUYCJALGSA-N 0 1 291.398 3.911 20 0 CHADMN CCC[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1cc(C)ccn1 ZINC000866388938 1124061197 /nfs/dbraw/zinc/06/11/97/1124061197.db2.gz GZMHNNRDWYJCAL-LNLFQRSKSA-N 0 1 296.414 3.999 20 0 CHADMN CCC[C@@]1(CO)CCCN1Cc1csc(C(C)(C)C)n1 ZINC000444779042 1124063900 /nfs/dbraw/zinc/06/39/00/1124063900.db2.gz XMRXFJOFBLOVAT-INIZCTEOSA-N 0 1 296.480 3.568 20 0 CHADMN CC(C)c1nc(CN[C@H](c2ccc(F)cc2)C(C)C)n[nH]1 ZINC000428378468 1124067314 /nfs/dbraw/zinc/06/73/14/1124067314.db2.gz AADMFHIAMXOGMX-HNNXBMFYSA-N 0 1 290.386 3.554 20 0 CHADMN CC[C@@H](NCc1ccnc(F)c1)c1cc(C)ccc1OC ZINC000866474679 1124070438 /nfs/dbraw/zinc/07/04/38/1124070438.db2.gz ZCFLKZRTTQFTHC-OAHLLOKOSA-N 0 1 288.366 3.779 20 0 CHADMN Cc1noc(C)c1[C@@H](C)CN[C@@H]1CCCc2scnc21 ZINC000623923722 1124083630 /nfs/dbraw/zinc/08/36/30/1124083630.db2.gz JMJMPTILPGHYDD-JOYOIKCWSA-N 0 1 291.420 3.519 20 0 CHADMN Cc1csc([C@H](C)NC2([C@@H]3CCCCO3)CCC2)n1 ZINC000866622750 1124091385 /nfs/dbraw/zinc/09/13/85/1124091385.db2.gz ICZOMIBPZIKFLD-STQMWFEESA-N 0 1 280.437 3.594 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1nc(-c2coc3ccccc23)no1 ZINC000445571121 1124091365 /nfs/dbraw/zinc/09/13/65/1124091365.db2.gz LGXMMLKRDXSSIY-RYUDHWBXSA-N 0 1 297.358 3.856 20 0 CHADMN C[C@H](NCc1cc2c([nH]c1=O)CCCC2)c1ccsc1 ZINC000866640328 1124093020 /nfs/dbraw/zinc/09/30/20/1124093020.db2.gz GIKKFBISPHXLHU-NSHDSACASA-N 0 1 288.416 3.578 20 0 CHADMN CC(C)CCN(C)CC(=O)Nc1ccccc1C(C)C ZINC000121589712 1124094581 /nfs/dbraw/zinc/09/45/81/1124094581.db2.gz BLARFVULMALGDE-UHFFFAOYSA-N 0 1 276.424 3.726 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccc(C)cc2)on1 ZINC000339075849 1124096707 /nfs/dbraw/zinc/09/67/07/1124096707.db2.gz RDAMSXBHUFVYII-INIZCTEOSA-N 0 1 256.349 3.629 20 0 CHADMN CC(=CC(=O)NCc1ccccc1-c1ncc[nH]1)C(C)(C)C ZINC000909629825 1124105453 /nfs/dbraw/zinc/10/54/53/1124105453.db2.gz WNKMVMDAZCPZMI-QBFSEMIESA-N 0 1 297.402 3.685 20 0 CHADMN COC1(C[C@@H](C)N[C@@H](CF)c2ccc(F)cc2)CCC1 ZINC000631798421 1124106941 /nfs/dbraw/zinc/10/69/41/1124106941.db2.gz SJKUOYUHBNWZJA-DOMZBBRYSA-N 0 1 283.362 3.774 20 0 CHADMN COCc1nc(CN(C)[C@H]2CCC[C@@H]2C(C)(C)C)cs1 ZINC000418109203 1124107314 /nfs/dbraw/zinc/10/73/14/1124107314.db2.gz HXGQTCKCQBOZRL-KBPBESRZSA-N 0 1 296.480 3.936 20 0 CHADMN O=C([O-])[C@H]1CCCCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000086814464 1129166656 /nfs/dbraw/zinc/16/66/56/1129166656.db2.gz YBKBCVBIMCBEGH-QGZVFWFLSA-N 0 1 283.371 3.669 20 0 CHADMN CC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000428435995 1124112149 /nfs/dbraw/zinc/11/21/49/1124112149.db2.gz BTLRWYROJSRQDG-LJQANCHMSA-N 0 1 299.389 3.840 20 0 CHADMN CCCN(Cc1n[nH]c(C)n1)[C@H](C)c1cc2ccccc2o1 ZINC000428447651 1124116159 /nfs/dbraw/zinc/11/61/59/1124116159.db2.gz PECLRAPHNBMAEM-GFCCVEGCSA-N 0 1 298.390 3.833 20 0 CHADMN COc1ccnc(CN2CCC[C@@H]2c2ccc(C)s2)c1 ZINC000114732810 1124116615 /nfs/dbraw/zinc/11/66/15/1124116615.db2.gz JRDPOZBALIOVLE-OAHLLOKOSA-N 0 1 288.416 3.797 20 0 CHADMN CCc1cnc(CN(CC2CCCCC2)C2CC2)o1 ZINC000525270456 1124119069 /nfs/dbraw/zinc/11/90/69/1124119069.db2.gz NTSGRBWDALKANN-UHFFFAOYSA-N 0 1 262.397 3.782 20 0 CHADMN CC(C)[C@@H]1CCN([C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000446718632 1124120545 /nfs/dbraw/zinc/12/05/45/1124120545.db2.gz ZNHPZRZRWJAGEM-GDBMZVCRSA-N 0 1 299.418 3.699 20 0 CHADMN CCC1(CC)CCN([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000446735443 1124121376 /nfs/dbraw/zinc/12/13/76/1124121376.db2.gz ONKKROXIZCMUTG-LBPRGKRZSA-N 0 1 265.401 3.766 20 0 CHADMN Cc1ccccc1[C@H](N[C@H](C)c1nccnc1C)C1CC1 ZINC000446832573 1124124659 /nfs/dbraw/zinc/12/46/59/1124124659.db2.gz PCIFJUVNOQHOIP-RDTXWAMCSA-N 0 1 281.403 3.895 20 0 CHADMN Oc1ccc(Br)c(CN2CCCC23CCC3)c1 ZINC000446853657 1124126474 /nfs/dbraw/zinc/12/64/74/1124126474.db2.gz RPUCEYXURQOQOT-UHFFFAOYSA-N 0 1 296.208 3.673 20 0 CHADMN c1cc(CNCC2(Sc3ccccc3)CCCC2)no1 ZINC000634961551 1129167667 /nfs/dbraw/zinc/16/76/67/1129167667.db2.gz XXHAYRVXNWCPAX-UHFFFAOYSA-N 0 1 288.416 3.869 20 0 CHADMN Clc1cncc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000621321855 1129167735 /nfs/dbraw/zinc/16/77/35/1129167735.db2.gz AWEFDCDMCJIYAU-ZBFHGGJFSA-N 0 1 294.826 3.516 20 0 CHADMN Cc1nc(CN(C)C[C@@H]2CC(C)=C[C@H](C)C2)cs1 ZINC000428462474 1124129704 /nfs/dbraw/zinc/12/97/04/1124129704.db2.gz UHGGZJLLYXROCF-FZMZJTMJSA-N 0 1 264.438 3.876 20 0 CHADMN Cc1nc(CN(C)C[C@H]2CC(C)=C[C@H](C)C2)cs1 ZINC000428462476 1124129970 /nfs/dbraw/zinc/12/99/70/1124129970.db2.gz UHGGZJLLYXROCF-SMDDNHRTSA-N 0 1 264.438 3.876 20 0 CHADMN Cc1cc(CN(Cc2ccccc2F)CC2CC2)ccn1 ZINC000621321594 1129167872 /nfs/dbraw/zinc/16/78/72/1129167872.db2.gz OZOROBRHXKZVNR-UHFFFAOYSA-N 0 1 284.378 3.941 20 0 CHADMN Cc1coc(C)c1C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000367366583 1124130692 /nfs/dbraw/zinc/13/06/92/1124130692.db2.gz BEDWQIQHVPSCTB-UHFFFAOYSA-N 0 1 296.370 3.627 20 0 CHADMN CC(C)c1nc(CN(C)[C@H](C)c2cccc(Cl)c2)n[nH]1 ZINC000428464233 1124130915 /nfs/dbraw/zinc/13/09/15/1124130915.db2.gz UVZLEAGLDIZRSM-LLVKDONJSA-N 0 1 292.814 3.775 20 0 CHADMN CCCc1nc(C)c(CN(C)Cc2ccc(C)cc2)o1 ZINC000428466155 1124131214 /nfs/dbraw/zinc/13/12/14/1124131214.db2.gz WEWIVFXFIYWNEE-UHFFFAOYSA-N 0 1 272.392 3.876 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1C[C@H](OC(C)C)c1ccccc1 ZINC000428467534 1124131748 /nfs/dbraw/zinc/13/17/48/1124131748.db2.gz ZWHADLBRAWQJAM-NXHRZFHOSA-N 0 1 291.435 3.652 20 0 CHADMN FC(F)[C@H](NCCC[C@H]1CCOC1)C1CCCCC1 ZINC000621401012 1129172766 /nfs/dbraw/zinc/17/27/66/1129172766.db2.gz ZEMUUQGYYMHMEA-GXTWGEPZSA-N 0 1 275.383 3.607 20 0 CHADMN CCC1(CC)CCN(Cc2cnc(Cl)s2)C1 ZINC000087252593 1129178345 /nfs/dbraw/zinc/17/83/45/1129178345.db2.gz CSEVYMOXPILYST-UHFFFAOYSA-N 0 1 258.818 3.809 20 0 CHADMN CCCN(C)Cc1cccnc1OCc1ccccc1 ZINC001238773413 1131244814 /nfs/dbraw/zinc/24/48/14/1131244814.db2.gz YIMSKXDGKHCJLS-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001238780849 1131246110 /nfs/dbraw/zinc/24/61/10/1131246110.db2.gz NBJRQRMYSCWQRL-WBMJQRKESA-N 0 1 297.801 3.788 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@@H+]1CC[C@H](C)[C@](C)(O)CC1 ZINC001238780793 1131246203 /nfs/dbraw/zinc/24/62/03/1131246203.db2.gz MAYYLOVGCMCTAG-BLLLJJGKSA-N 0 1 299.817 3.770 20 0 CHADMN CCN(CCn1ccnc1)Cc1cc(F)cc(C)c1Cl ZINC001238785526 1131247437 /nfs/dbraw/zinc/24/74/37/1131247437.db2.gz YLTKUJWKJQRCLK-UHFFFAOYSA-N 0 1 295.789 3.506 20 0 CHADMN Cc1cccnc1CN1CCc2ccsc2[C@@H]1C ZINC001119325170 1131251669 /nfs/dbraw/zinc/25/16/69/1131251669.db2.gz HCTNTQGHULKQFW-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN O=c1cc(C2CCCC2)[nH]n1-c1ccc(C(F)(F)F)nc1 ZINC001245928568 1131255437 /nfs/dbraw/zinc/25/54/37/1131255437.db2.gz MDSWGWUQMFHGNM-UHFFFAOYSA-N 0 1 297.280 3.649 20 0 CHADMN C[C@@H](c1nc(Cc2ccccc2)no1)N1C[C@H](C)C[C@@H](C)C1 ZINC000525634287 1124451284 /nfs/dbraw/zinc/45/12/84/1124451284.db2.gz MNJNVWWVXIUARF-KFWWJZLASA-N 0 1 299.418 3.699 20 0 CHADMN Cc1cccc(-c2noc(CN3CCC[C@@H](C)[C@@H]3C)n2)c1 ZINC000525634664 1124451952 /nfs/dbraw/zinc/45/19/52/1124451952.db2.gz JJZRNPDQCQDEQU-KGLIPLIRSA-N 0 1 285.391 3.665 20 0 CHADMN CC(C)C1=NCCc2ccc(-c3cnn(C(F)F)c3)cc21 ZINC001238868857 1131261520 /nfs/dbraw/zinc/26/15/20/1131261520.db2.gz KCZKXCCLOAYXJJ-UHFFFAOYSA-N 0 1 289.329 3.946 20 0 CHADMN CO[C@@H]1CCC[N@@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447305305 1124464782 /nfs/dbraw/zinc/46/47/82/1124464782.db2.gz YVRUZPQMTHUXLL-CQSZACIVSA-N 0 1 288.218 3.647 20 0 CHADMN CO[C@@H]1CCCN(CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447305305 1124464784 /nfs/dbraw/zinc/46/47/84/1124464784.db2.gz YVRUZPQMTHUXLL-CQSZACIVSA-N 0 1 288.218 3.647 20 0 CHADMN CC[N@H+](Cc1nc(C(C)(C)C)cs1)CC(C)C ZINC000447369383 1124467601 /nfs/dbraw/zinc/46/76/01/1124467601.db2.gz UJHSAXKMTJVEOG-UHFFFAOYSA-N 0 1 254.443 3.919 20 0 CHADMN CCN(Cc1nc(C(C)(C)C)cs1)CC(C)C ZINC000447369383 1124467605 /nfs/dbraw/zinc/46/76/05/1124467605.db2.gz UJHSAXKMTJVEOG-UHFFFAOYSA-N 0 1 254.443 3.919 20 0 CHADMN CCCN(Cc1ccn(C)n1)[C@@H](CC)c1ccccc1 ZINC000508597357 1124469389 /nfs/dbraw/zinc/46/93/89/1124469389.db2.gz BLJRHQAETKBRCY-KRWDZBQOSA-N 0 1 271.408 3.783 20 0 CHADMN CC(C)c1nsc(CN[C@@H](C)[C@@H](C)c2ccccc2)n1 ZINC001119698099 1131262008 /nfs/dbraw/zinc/26/20/08/1131262008.db2.gz JHSHIAKHBNVZHE-OLZOCXBDSA-N 0 1 289.448 3.943 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CCC(Nc2ccccc2)CC1 ZINC001119687091 1131262182 /nfs/dbraw/zinc/26/21/82/1131262182.db2.gz YQOIJZDMDBPNNW-CQSZACIVSA-N 0 1 299.393 3.858 20 0 CHADMN FC1(CN2CCC(Oc3ccccc3Cl)CC2)CC1 ZINC000525977349 1124482534 /nfs/dbraw/zinc/48/25/34/1124482534.db2.gz JPXBALLZFKCZBT-UHFFFAOYSA-N 0 1 283.774 3.685 20 0 CHADMN FC(F)c1ccc(CNc2ccc3nn[nH]c3c2)cc1 ZINC000525996242 1124488982 /nfs/dbraw/zinc/48/89/82/1124488982.db2.gz URKRLZZZFNWOCM-UHFFFAOYSA-N 0 1 274.274 3.508 20 0 CHADMN FC(F)c1ccc(CNc2ccc3n[nH]nc3c2)cc1 ZINC000525996242 1124488984 /nfs/dbraw/zinc/48/89/84/1124488984.db2.gz URKRLZZZFNWOCM-UHFFFAOYSA-N 0 1 274.274 3.508 20 0 CHADMN CSc1cc(CN[C@H](C)c2cc(C)oc2C)ccn1 ZINC000447583812 1124492575 /nfs/dbraw/zinc/49/25/75/1124492575.db2.gz COAOMYCQJQIARA-LLVKDONJSA-N 0 1 276.405 3.864 20 0 CHADMN COC[C@H](N[C@H]1CCCc2occc21)c1ccc(F)cc1 ZINC000447584011 1124492953 /nfs/dbraw/zinc/49/29/53/1124492953.db2.gz DICBJRGEPGXKJW-HOTGVXAUSA-N 0 1 289.350 3.773 20 0 CHADMN COc1ccc(C2(N[C@@H]3CCCc4occc43)CC2)cc1 ZINC000447587298 1124494686 /nfs/dbraw/zinc/49/46/86/1124494686.db2.gz QUYYUSOMPUBPFA-MRXNPFEDSA-N 0 1 283.371 3.945 20 0 CHADMN COC(=O)c1coc([C@@H](C)NCc2ccc(C3CC3)cc2)c1 ZINC000447596445 1124495561 /nfs/dbraw/zinc/49/55/61/1124495561.db2.gz CKPNHOLFTODSOP-GFCCVEGCSA-N 0 1 299.370 3.794 20 0 CHADMN O=C(Nc1ccc2cc[nH]c2c1)c1ccc(Cl)cc1O ZINC000447642030 1124502715 /nfs/dbraw/zinc/50/27/15/1124502715.db2.gz AUMWKGZXAJWNBW-UHFFFAOYSA-N 0 1 286.718 3.779 20 0 CHADMN O=C(Nc1ccc2cc[nH]c2c1)c1cc(Cl)ccc1O ZINC000447646069 1124505358 /nfs/dbraw/zinc/50/53/58/1124505358.db2.gz GQDWLTUBLTZHQY-UHFFFAOYSA-N 0 1 286.718 3.779 20 0 CHADMN Cc1ccsc1CCN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000526116878 1124511021 /nfs/dbraw/zinc/51/10/21/1124511021.db2.gz PBYXWNRHKKHTSA-MRXNPFEDSA-N 0 1 297.427 3.701 20 0 CHADMN Cc1ccc(CN2CCSC[C@@H]2C)cc1Cl ZINC000447740459 1124520686 /nfs/dbraw/zinc/52/06/86/1124520686.db2.gz JNYQQIAAHDDPAM-NSHDSACASA-N 0 1 255.814 3.586 20 0 CHADMN C=Cn1cc(CN(Cc2ccc(OCC)cc2)C(C)C)cn1 ZINC000447743624 1124521739 /nfs/dbraw/zinc/52/17/39/1124521739.db2.gz VEYGSFFSADHLJO-UHFFFAOYSA-N 0 1 299.418 3.793 20 0 CHADMN C=Cn1cc(CN(Cc2ccc(CC)cc2)C2CC2)cn1 ZINC000447795761 1124525298 /nfs/dbraw/zinc/52/52/98/1124525298.db2.gz QCZVONIQAYEBNK-UHFFFAOYSA-N 0 1 281.403 3.711 20 0 CHADMN CC(C)(C)[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC000447841894 1124534594 /nfs/dbraw/zinc/53/45/94/1124534594.db2.gz FTHROYXOOALUTB-CVEARBPZSA-N 0 1 277.383 3.560 20 0 CHADMN COc1ccc([C@@H](C)[C@@H](C)Nc2ccc3nn[nH]c3c2)cc1 ZINC000526988835 1124537925 /nfs/dbraw/zinc/53/79/25/1124537925.db2.gz LESJTAFTSZKFPJ-NWDGAFQWSA-N 0 1 296.374 3.571 20 0 CHADMN COc1ccc([C@@H](C)[C@@H](C)Nc2ccc3n[nH]nc3c2)cc1 ZINC000526988835 1124537932 /nfs/dbraw/zinc/53/79/32/1124537932.db2.gz LESJTAFTSZKFPJ-NWDGAFQWSA-N 0 1 296.374 3.571 20 0 CHADMN Cc1ccc(CNCC2(F)CC2)c(OC(C)(C)C)c1 ZINC000526982121 1124538863 /nfs/dbraw/zinc/53/88/63/1124538863.db2.gz BOVDTQPNINDLBG-UHFFFAOYSA-N 0 1 265.372 3.764 20 0 CHADMN CCCC[C@@H](COC)NCc1ncc(C(C)(C)C)s1 ZINC000447931823 1124547173 /nfs/dbraw/zinc/54/71/73/1124547173.db2.gz QCPQOUPWMRPWED-LBPRGKRZSA-N 0 1 284.469 3.735 20 0 CHADMN CS[C@@H]1CC[C@@H](Nc2cc[nH+]c3c([O-])cccc23)C1 ZINC000795102705 1124548787 /nfs/dbraw/zinc/54/87/87/1124548787.db2.gz RLPRDKIQTNUFJC-GHMZBOCLSA-N 0 1 274.389 3.636 20 0 CHADMN CC(=O)[C@H]1CCCCN1[C@H]1CCc2cccc(Cl)c2C1 ZINC001170940989 1131268973 /nfs/dbraw/zinc/26/89/73/1131268973.db2.gz BUGMVCAYCHQBKQ-WMLDXEAASA-N 0 1 291.822 3.641 20 0 CHADMN C[N@H+](C/C=C/c1ccc(Cl)cc1)CCOCC1CC1 ZINC000527297845 1124568212 /nfs/dbraw/zinc/56/82/12/1124568212.db2.gz RTMQCLUBMGZAHJ-NSCUHMNNSA-N 0 1 279.811 3.712 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1ncc(C(C)(C)C)s1 ZINC000448218540 1124569613 /nfs/dbraw/zinc/56/96/13/1124569613.db2.gz VCGXMYTUIYBKJO-SNVBAGLBSA-N 0 1 252.427 3.671 20 0 CHADMN CCSc1ccccc1C[C@H](C)NCc1ccon1 ZINC000925213338 1124584460 /nfs/dbraw/zinc/58/44/60/1124584460.db2.gz YSCRVGDJMRVBPU-LBPRGKRZSA-N 0 1 276.405 3.507 20 0 CHADMN Cc1nc(CN2CC[C@@H](CC(C)(C)C)C2)cs1 ZINC000448554330 1124585391 /nfs/dbraw/zinc/58/53/91/1124585391.db2.gz IUCLVKVDRSYGJD-LBPRGKRZSA-N 0 1 252.427 3.710 20 0 CHADMN Cc1cc(-c2cccn3cncc23)cnc1OCC(C)C ZINC001238923962 1131271288 /nfs/dbraw/zinc/27/12/88/1131271288.db2.gz SIZGLQFGGBVBEZ-UHFFFAOYSA-N 0 1 281.359 3.740 20 0 CHADMN Cc1oc(C(C)(C)C)cc1CNCc1cccnc1 ZINC001120248910 1131272469 /nfs/dbraw/zinc/27/24/69/1131272469.db2.gz BIDDRTDMWGDEJX-UHFFFAOYSA-N 0 1 258.365 3.570 20 0 CHADMN Cc1ccoc1CN(C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000795182803 1124623048 /nfs/dbraw/zinc/62/30/48/1124623048.db2.gz YQWXGGBEAOPNFW-AWEZNQCLSA-N 0 1 297.757 3.546 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1Cc1ccncc1F ZINC000449010122 1124632730 /nfs/dbraw/zinc/63/27/30/1124632730.db2.gz KISOESKSDLAYIH-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cccc(CN2CCC(C(F)(F)F)CC2)c1F ZINC000449010608 1124633303 /nfs/dbraw/zinc/63/33/03/1124633303.db2.gz TZCCMXZSGMHCRL-UHFFFAOYSA-N 0 1 275.289 3.908 20 0 CHADMN Cc1cc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)cs1 ZINC000449034932 1124635838 /nfs/dbraw/zinc/63/58/38/1124635838.db2.gz LKNZEIJFKFVKTG-KRWDZBQOSA-N 0 1 287.428 3.538 20 0 CHADMN C[C@]1(c2ccccc2)CCC[N@@H+](Cc2ccncc2F)C1 ZINC000449034036 1124636079 /nfs/dbraw/zinc/63/60/79/1124636079.db2.gz HPYFCRBCVIZHGO-SFHVURJKSA-N 0 1 284.378 3.774 20 0 CHADMN C[C@]1(c2ccccc2)CCCN(Cc2ccncc2F)C1 ZINC000449034036 1124636082 /nfs/dbraw/zinc/63/60/82/1124636082.db2.gz HPYFCRBCVIZHGO-SFHVURJKSA-N 0 1 284.378 3.774 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1ccncc1F ZINC000449031753 1124636220 /nfs/dbraw/zinc/63/62/20/1124636220.db2.gz WBMBEJFNQDQGCY-AWEZNQCLSA-N 0 1 250.361 3.621 20 0 CHADMN CC[C@H](Cc1cccc(C)c1)c1nc([C@H]2CCCN2)no1 ZINC000871788295 1124636982 /nfs/dbraw/zinc/63/69/82/1124636982.db2.gz LGDUEKKMBFXVCZ-HUUCEWRRSA-N 0 1 285.391 3.539 20 0 CHADMN COc1cc(C)ccc1CN(C)[C@@H](CCO)c1ccccc1 ZINC000449037588 1124638269 /nfs/dbraw/zinc/63/82/69/1124638269.db2.gz ZXXXSWJXLFBMQX-SFHVURJKSA-N 0 1 299.414 3.559 20 0 CHADMN Cc1ccc(C[C@H](C)N(C)Cc2ccncc2F)cc1 ZINC000449025288 1124639730 /nfs/dbraw/zinc/63/97/30/1124639730.db2.gz AYIPWSIYXXSHKD-AWEZNQCLSA-N 0 1 272.367 3.592 20 0 CHADMN C[C@H](NCc1ccncc1F)c1ccc(OC(F)F)cc1 ZINC000449077227 1124645437 /nfs/dbraw/zinc/64/54/37/1124645437.db2.gz YGZPHJSCAJPNNZ-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN CC[C@@H](CC(C)C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000449075786 1124645510 /nfs/dbraw/zinc/64/55/10/1124645510.db2.gz SASQASTVUCGQDI-KBPBESRZSA-N 0 1 296.480 3.539 20 0 CHADMN COc1cccc2c(CNCc3c(C)noc3C)cccc12 ZINC000449097593 1124646485 /nfs/dbraw/zinc/64/64/85/1124646485.db2.gz MIQRTHYOJDEGKI-UHFFFAOYSA-N 0 1 296.370 3.743 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2ncccc2Cl)CC1 ZINC000528381824 1124648817 /nfs/dbraw/zinc/64/88/17/1124648817.db2.gz OOXLYVHLPSVDTA-CYBMUJFWSA-N 0 1 282.815 3.516 20 0 CHADMN C[C@@H]1CCCN(Cc2cccnc2C(F)(F)F)[C@H]1C ZINC000528387335 1124650438 /nfs/dbraw/zinc/65/04/38/1124650438.db2.gz GEMZABTWVDRVMQ-MNOVXSKESA-N 0 1 272.314 3.721 20 0 CHADMN Cc1cc(Cl)ccc1-n1[nH]c(C2CCC2)cc1=O ZINC000871943731 1124653260 /nfs/dbraw/zinc/65/32/60/1124653260.db2.gz APSGIZNYPMSPLO-UHFFFAOYSA-N 0 1 262.740 3.541 20 0 CHADMN O=c1cc(C2CCC2)[nH]n1-c1cccc2ccccc21 ZINC000871947424 1124654277 /nfs/dbraw/zinc/65/42/77/1124654277.db2.gz ZEMZVEQZCPFWIY-UHFFFAOYSA-N 0 1 264.328 3.733 20 0 CHADMN Fc1ccc(C2(NCc3ccncc3F)CCCC2)cc1 ZINC000449112848 1124654547 /nfs/dbraw/zinc/65/45/47/1124654547.db2.gz TXDDYRDLCNGEEK-UHFFFAOYSA-N 0 1 288.341 3.919 20 0 CHADMN C[C@@H](c1ccccc1)n1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC000871948748 1124654739 /nfs/dbraw/zinc/65/47/39/1124654739.db2.gz BFAJDAMBJPVZLY-GXTWGEPZSA-N 0 1 270.376 3.772 20 0 CHADMN O=c1cc(C2CCCC2)[nH]n1[C@H]1CCc2c1cccc2F ZINC000871960808 1124655526 /nfs/dbraw/zinc/65/55/26/1124655526.db2.gz AIKJTNXPFKYORM-INIZCTEOSA-N 0 1 286.350 3.592 20 0 CHADMN CC[C@@]1(C)CCN(Cc2cccnc2C(F)(F)F)C1 ZINC000528407114 1124655509 /nfs/dbraw/zinc/65/55/09/1124655509.db2.gz VXKRBQPLMHHYJF-ZDUSSCGKSA-N 0 1 272.314 3.722 20 0 CHADMN CC1(C)CC[C@H]2C(=O)N(c3cccc4cnccc43)N=C2C1 ZINC000871960469 1124655719 /nfs/dbraw/zinc/65/57/19/1124655719.db2.gz ZNSWBIBUIAGMHN-CQSZACIVSA-N 0 1 293.370 3.764 20 0 CHADMN CC1(C)CCc2c([nH]n(-c3cccc4cnccc43)c2=O)C1 ZINC000871960469 1124655720 /nfs/dbraw/zinc/65/57/20/1124655720.db2.gz ZNSWBIBUIAGMHN-CQSZACIVSA-N 0 1 293.370 3.764 20 0 CHADMN C/C(Cl)=C\CN1CCC(Nc2ccc(F)cc2)CC1 ZINC000528415238 1124656611 /nfs/dbraw/zinc/65/66/11/1124656611.db2.gz RQTPBODAJBEZKR-WUXMJOGZSA-N 0 1 282.790 3.845 20 0 CHADMN Cc1cccc(CN[C@H](C)c2cccc(O)c2F)c1 ZINC000872018121 1124656857 /nfs/dbraw/zinc/65/68/57/1124656857.db2.gz ISAFDOIANDJDLH-GFCCVEGCSA-N 0 1 259.324 3.691 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccc1)c1cccc(O)c1F ZINC000872017313 1124657260 /nfs/dbraw/zinc/65/72/60/1124657260.db2.gz ZEBGQGATFPVGAT-NWDGAFQWSA-N 0 1 259.324 3.943 20 0 CHADMN COc1cc(C)ccc1CNC1(c2cccc(F)c2)CC1 ZINC000449155139 1124658257 /nfs/dbraw/zinc/65/82/57/1124658257.db2.gz KHJQVFMXHALOQP-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN C[C@H]1CCN(Cc2ncccc2Cl)CC12CCC2 ZINC000528430632 1124660332 /nfs/dbraw/zinc/66/03/32/1124660332.db2.gz KLIZGGQLIGHKTN-LBPRGKRZSA-N 0 1 264.800 3.747 20 0 CHADMN Clc1cccnc1CN1C[C@H]2CCCCCC[C@H]21 ZINC000528421654 1124661206 /nfs/dbraw/zinc/66/12/06/1124661206.db2.gz ACJAJTSAFOZAFR-IUODEOHRSA-N 0 1 264.800 3.890 20 0 CHADMN CC(C)(NCc1ccncc1F)c1cccc(Cl)c1 ZINC000449163039 1124663102 /nfs/dbraw/zinc/66/31/02/1124663102.db2.gz LDBUNKIKZLWWSK-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN C[C@@H](CC(C)(C)C)NCc1nnc(C(C)(C)C)s1 ZINC000449195446 1124665551 /nfs/dbraw/zinc/66/55/51/1124665551.db2.gz WJKFEWVEOUBWKP-JTQLQIEISA-N 0 1 269.458 3.750 20 0 CHADMN CC[C@H](CCC(F)(F)F)Nc1cnn(-c2ccncc2)c1 ZINC000872057139 1124668006 /nfs/dbraw/zinc/66/80/06/1124668006.db2.gz CQTNVSHXSRPAAW-LLVKDONJSA-N 0 1 298.312 3.800 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@@H](C)c1cccc(O)c1F ZINC000872060908 1124670441 /nfs/dbraw/zinc/67/04/41/1124670441.db2.gz BFRULFNCEKWJQU-DTWKUNHWSA-N 0 1 279.277 3.913 20 0 CHADMN Cc1cc(CNCc2ccnc(OC3CCC3)c2)cs1 ZINC000449214379 1124670603 /nfs/dbraw/zinc/67/06/03/1124670603.db2.gz YQIDWSQFBFLSBK-UHFFFAOYSA-N 0 1 288.416 3.673 20 0 CHADMN CC[C@H](N[C@@H](C)c1nc(Cc2ccccc2)no1)C1CCC1 ZINC000449278682 1124681690 /nfs/dbraw/zinc/68/16/90/1124681690.db2.gz LIBMULDBTWCWMZ-BBRMVZONSA-N 0 1 299.418 3.890 20 0 CHADMN CCN(Cc1ncccc1Cl)C1CC(C)(C)C1 ZINC000528521816 1124683363 /nfs/dbraw/zinc/68/33/63/1124683363.db2.gz FWMWUMRXFOICAM-UHFFFAOYSA-N 0 1 252.789 3.746 20 0 CHADMN CC[C@H]1C[C@]1(NCc1ccncc1F)c1cccc(C)c1 ZINC000449308596 1124686743 /nfs/dbraw/zinc/68/67/43/1124686743.db2.gz YJLGVCHZIJPTKR-MAUKXSAKSA-N 0 1 284.378 3.944 20 0 CHADMN Cc1ncncc1[C@@H](C)NCc1cccc(OC(C)(C)C)c1 ZINC000872113749 1124687020 /nfs/dbraw/zinc/68/70/20/1124687020.db2.gz SGHUQLMFIRPKBR-CYBMUJFWSA-N 0 1 299.418 3.813 20 0 CHADMN CC[C@@H]1C[C@@]1(NCc1ccncc1F)c1cccc(C)c1 ZINC000449308597 1124688461 /nfs/dbraw/zinc/68/84/61/1124688461.db2.gz YJLGVCHZIJPTKR-QAPCUYQASA-N 0 1 284.378 3.944 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@H](C)c1nccnc1C ZINC000872132092 1124691982 /nfs/dbraw/zinc/69/19/82/1124691982.db2.gz BXWKFZGPJZITOY-XPKDYRNWSA-N 0 1 281.403 3.993 20 0 CHADMN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)[O-])cs2)C1 ZINC000872158562 1124696741 /nfs/dbraw/zinc/69/67/41/1124696741.db2.gz FZNKIYCBTWBNEK-RYUDHWBXSA-N 0 1 299.461 3.552 20 0 CHADMN O=C(Nc1n[nH]c2cc(O)ccc21)C1CCCCCCC1 ZINC000820213464 1131277736 /nfs/dbraw/zinc/27/77/36/1131277736.db2.gz MNSIPCIVUGORJD-UHFFFAOYSA-N 0 1 287.363 3.568 20 0 CHADMN Fc1cc(F)c2c(c1)[C@@H](NCc1ccco1)CCC2 ZINC000449350175 1124697328 /nfs/dbraw/zinc/69/73/28/1124697328.db2.gz LGTCURHBEHMOCL-HNNXBMFYSA-N 0 1 263.287 3.725 20 0 CHADMN CC[C@@H](Cc1cccc(C)c1)c1nc([C@@H](N)C(C)C)no1 ZINC000872170220 1124697885 /nfs/dbraw/zinc/69/78/85/1124697885.db2.gz FPFRZPQMCCFWGW-GJZGRUSLSA-N 0 1 287.407 3.770 20 0 CHADMN Cc1cc(CN)oc1-c1nc([C@@H](C)c2ccccc2C)no1 ZINC000872175576 1124698376 /nfs/dbraw/zinc/69/83/76/1124698376.db2.gz NQSRXNOBRSFMPL-LBPRGKRZSA-N 0 1 297.358 3.557 20 0 CHADMN Clc1ccc(CN2CCC[C@H](OC3CCC3)CC2)o1 ZINC000872260706 1124699675 /nfs/dbraw/zinc/69/96/75/1124699675.db2.gz TYRVGOHRKFOOIM-ZDUSSCGKSA-N 0 1 283.799 3.857 20 0 CHADMN COCCC1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000528572932 1124699788 /nfs/dbraw/zinc/69/97/88/1124699788.db2.gz KNUOYGSWBBZRQY-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN Cc1nnsc1CN(Cc1ccc(C)cc1)C(C)(C)C ZINC000528594578 1124701688 /nfs/dbraw/zinc/70/16/88/1124701688.db2.gz SKTWZLVZECCUFC-UHFFFAOYSA-N 0 1 289.448 3.956 20 0 CHADMN Fc1cc(F)cc(CN2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872262022 1124702057 /nfs/dbraw/zinc/70/20/57/1124702057.db2.gz MWMSECDGKLUSEM-KRWDZBQOSA-N 0 1 295.373 3.888 20 0 CHADMN CC1(F)CC(NCc2csc(-c3ccccc3)n2)C1 ZINC000449369124 1124702693 /nfs/dbraw/zinc/70/26/93/1124702693.db2.gz AYFSZPMQWSTJPQ-UHFFFAOYSA-N 0 1 276.380 3.790 20 0 CHADMN CC[C@H](N[C@@H]1CC[C@H](c2ccccc2)C1)C(F)F ZINC000449359022 1124709576 /nfs/dbraw/zinc/70/95/76/1124709576.db2.gz HEWJRYYKDOSGJH-MJBXVCDLSA-N 0 1 253.336 3.956 20 0 CHADMN CC[C@H](NC[C@@H](C)Cc1ccc(OC)c(F)c1)C(F)F ZINC000449363253 1124711299 /nfs/dbraw/zinc/71/12/99/1124711299.db2.gz OXYMZGGCFARNAD-GWCFXTLKSA-N 0 1 289.341 3.646 20 0 CHADMN COC[C@@]1(C)CCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000449398593 1124723969 /nfs/dbraw/zinc/72/39/69/1124723969.db2.gz YFYQXYNGLLPSDV-AWEZNQCLSA-N 0 1 288.218 3.852 20 0 CHADMN CC(C)n1ncc2cc(CN3CCC[C@@H]3C)c(Cl)nc21 ZINC000124301502 1124732567 /nfs/dbraw/zinc/73/25/67/1124732567.db2.gz QBGWXDUTHVJLRI-NSHDSACASA-N 0 1 292.814 3.650 20 0 CHADMN c1cc(N2CCCC2)oc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC001137067960 1124739810 /nfs/dbraw/zinc/73/98/10/1124739810.db2.gz PKLXUNQETOXVQF-KRWDZBQOSA-N 0 1 297.402 3.612 20 0 CHADMN c1cc(N2CCCC2)oc1CN1CCC[C@H]1c1ccncc1 ZINC001137067960 1124739814 /nfs/dbraw/zinc/73/98/14/1124739814.db2.gz PKLXUNQETOXVQF-KRWDZBQOSA-N 0 1 297.402 3.612 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN(C)[C@@H](CO)c2ccccc2)o1 ZINC000449454640 1124745185 /nfs/dbraw/zinc/74/51/85/1124745185.db2.gz PGTMJDHPXWFQFW-XYPHTWIQSA-N 0 1 285.387 3.568 20 0 CHADMN CC/C=C/CNCc1ncc(-c2ccccc2)s1 ZINC000449459630 1124747380 /nfs/dbraw/zinc/74/73/80/1124747380.db2.gz QQVYUQYNOFBTET-XVNBXDOJSA-N 0 1 258.390 3.866 20 0 CHADMN Cc1nc2ccc(CN[C@@H](C)c3nccnc3C)cc2s1 ZINC000873187495 1124747427 /nfs/dbraw/zinc/74/74/27/1124747427.db2.gz UJBKFQLCMGOBHZ-NSHDSACASA-N 0 1 298.415 3.554 20 0 CHADMN Cc1ncccc1CN[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000873184859 1124747692 /nfs/dbraw/zinc/74/76/92/1124747692.db2.gz JOUVVPFXZKVCHB-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN COc1ccccc1CN1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000449460517 1124748157 /nfs/dbraw/zinc/74/81/57/1124748157.db2.gz NNTUINDPLYIGNF-WCQYABFASA-N 0 1 287.325 3.858 20 0 CHADMN C[C@@H](N[C@@H](CCc1ccccc1)C(F)F)C1CC1 ZINC000449442454 1124748847 /nfs/dbraw/zinc/74/88/47/1124748847.db2.gz ZACJSWLQHKSNBB-RISCZKNCSA-N 0 1 253.336 3.641 20 0 CHADMN CN(Cc1ccnc(Cl)c1F)CC1CCCCC1 ZINC001139665547 1131281284 /nfs/dbraw/zinc/28/12/84/1131281284.db2.gz UJGHMWRNWYAHQK-UHFFFAOYSA-N 0 1 270.779 3.886 20 0 CHADMN CCO[C@H]1CCN(Cc2c(Cl)cccc2OC)C[C@H]1C ZINC000449492899 1124760448 /nfs/dbraw/zinc/76/04/48/1124760448.db2.gz KJERZRHFHOHPKN-DOMZBBRYSA-N 0 1 297.826 3.596 20 0 CHADMN CCC[C@@H](CNCc1nn(C)cc1Cl)c1ccccc1 ZINC000449482521 1124763103 /nfs/dbraw/zinc/76/31/03/1124763103.db2.gz YQALVFOPOJCKMF-AWEZNQCLSA-N 0 1 291.826 3.747 20 0 CHADMN FC[C@H]1CCCN1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170946723 1131285079 /nfs/dbraw/zinc/28/50/79/1131285079.db2.gz ORIIEINILKDCFS-CHWSQXEVSA-N 0 1 267.775 3.631 20 0 CHADMN CC(C)=C(C)CC(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000820594784 1131296209 /nfs/dbraw/zinc/29/62/09/1131296209.db2.gz DICMSISLXUTRAP-UHFFFAOYSA-N 0 1 278.371 3.572 20 0 CHADMN C[C@@H](NC(=O)c1ccc(Cl)c(O)c1)c1ccsc1 ZINC001626164441 1131300880 /nfs/dbraw/zinc/30/08/80/1131300880.db2.gz QDEGPOPNVUEEAI-MRVPVSSYSA-N 0 1 281.764 3.598 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2ccnc(Cl)c2F)CC1 ZINC001139667491 1131302565 /nfs/dbraw/zinc/30/25/65/1131302565.db2.gz ZHQYFLCKHSMHPJ-UMSPYCQHSA-N 0 1 270.779 3.885 20 0 CHADMN CCc1cccc(NC(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC001239199719 1131305431 /nfs/dbraw/zinc/30/54/31/1131305431.db2.gz ZZIRPUYQFSMKAL-UHFFFAOYSA-N 0 1 280.331 3.769 20 0 CHADMN FC(F)(F)c1cccc2c1CN(C[C@H]1CCCCO1)CC2 ZINC000528791536 1124807891 /nfs/dbraw/zinc/80/78/91/1124807891.db2.gz DJAAUJYEWPMTJN-CYBMUJFWSA-N 0 1 299.336 3.633 20 0 CHADMN C[C@@H]1CC[C@H](CN2CCc3cccc(C(F)(F)F)c3C2)O1 ZINC000528795496 1124809598 /nfs/dbraw/zinc/80/95/98/1124809598.db2.gz VIKPLQCFFNYNMU-DGCLKSJQSA-N 0 1 299.336 3.631 20 0 CHADMN CCSCc1ccc(NCc2[nH]ncc2C)cc1 ZINC000449603232 1124821054 /nfs/dbraw/zinc/82/10/54/1124821054.db2.gz VNFJYLBAWGIITM-UHFFFAOYSA-N 0 1 261.394 3.583 20 0 CHADMN CC(C)n1cc(CN2CCC(c3cccs3)CC2)cn1 ZINC001137079333 1124832483 /nfs/dbraw/zinc/83/24/83/1124832483.db2.gz BIOCBINJNZROTG-UHFFFAOYSA-N 0 1 289.448 3.905 20 0 CHADMN CCCC[C@@H](CC)COCCCNc1cc(N)c(F)cn1 ZINC001168111945 1124844661 /nfs/dbraw/zinc/84/46/61/1124844661.db2.gz JERUHDVDHUSKOR-CYBMUJFWSA-N 0 1 297.418 3.838 20 0 CHADMN CCCC1(CCC)CCCN1C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000874627790 1124845661 /nfs/dbraw/zinc/84/56/61/1124845661.db2.gz KHBBHHITZRHQIX-CQSZACIVSA-N 0 1 291.439 3.550 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cnc(C3CC3)o1)[C@H](C)C2 ZINC000449708722 1124846292 /nfs/dbraw/zinc/84/62/92/1124846292.db2.gz WESZYTHUVHUXDI-SJKOYZFVSA-N 0 1 282.387 3.884 20 0 CHADMN COc1cc(F)cc(C[N@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000449732956 1124851316 /nfs/dbraw/zinc/85/13/16/1124851316.db2.gz MZKCQDUMLMBYEE-INIZCTEOSA-N 0 1 295.423 3.553 20 0 CHADMN COC[C@H]1CCCN(Cc2c(F)cccc2Cl)CC1 ZINC000449769726 1124865065 /nfs/dbraw/zinc/86/50/65/1124865065.db2.gz CCVOJIXGHIHXJH-LBPRGKRZSA-N 0 1 285.790 3.728 20 0 CHADMN COC[C@@H]1CCCN(Cc2ncc(C(C)(C)C)s2)CC1 ZINC000449769729 1124865182 /nfs/dbraw/zinc/86/51/82/1124865182.db2.gz CDXQZIPKZSPUDJ-CYBMUJFWSA-N 0 1 296.480 3.689 20 0 CHADMN OCCC[C@@H]1CCN(Cc2c(Cl)cccc2Cl)C1 ZINC000449787927 1124872440 /nfs/dbraw/zinc/87/24/40/1124872440.db2.gz CNRQFJBMLGUJCT-LLVKDONJSA-N 0 1 288.218 3.588 20 0 CHADMN Cc1ccc(CCCN2CCC[C@@H]2c2ncccn2)cc1 ZINC000639871770 1124895533 /nfs/dbraw/zinc/89/55/33/1124895533.db2.gz QHUCQOCPEBDSOJ-QGZVFWFLSA-N 0 1 281.403 3.555 20 0 CHADMN CCC[C@H](CC(C)C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000450064224 1124923640 /nfs/dbraw/zinc/92/36/40/1124923640.db2.gz XKXGISAUSKGHRI-OAHLLOKOSA-N 0 1 291.439 3.578 20 0 CHADMN CC[C@@H]1CCCCN1CC(=O)Nc1cccc(SC)c1 ZINC000016334093 1124925274 /nfs/dbraw/zinc/92/52/74/1124925274.db2.gz GOXLRYGBNJAGNR-CQSZACIVSA-N 0 1 292.448 3.612 20 0 CHADMN CCC[C@H]1CCC[C@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000450136746 1124932628 /nfs/dbraw/zinc/93/26/28/1124932628.db2.gz YEWXHHUKDKHFMI-DTWKUNHWSA-N 0 1 289.301 3.583 20 0 CHADMN C[C@H]1CN(Cc2cc3c(cc[nH]c3=O)o2)Cc2ccccc21 ZINC000876544052 1124959239 /nfs/dbraw/zinc/95/92/39/1124959239.db2.gz PLZWYJPCUZDZQX-LBPRGKRZSA-N 0 1 294.354 3.653 20 0 CHADMN CCN(Cc1nnc(C(C)C)s1)C1CCCCC1 ZINC000450260191 1124962559 /nfs/dbraw/zinc/96/25/59/1124962559.db2.gz IWLZNHDMDHHING-UHFFFAOYSA-N 0 1 267.442 3.816 20 0 CHADMN Cc1cccc2c1CCN(Cc1ccc(C(F)F)nc1)C2 ZINC000876694060 1124970664 /nfs/dbraw/zinc/97/06/64/1124970664.db2.gz DDJGRPDGHUEAHE-UHFFFAOYSA-N 0 1 288.341 3.886 20 0 CHADMN Brc1ncccc1C[N@H+]1CCC2(CCCC2)C1 ZINC000876725594 1124973792 /nfs/dbraw/zinc/97/37/92/1124973792.db2.gz UERCWHLUMOXUFZ-UHFFFAOYSA-N 0 1 295.224 3.610 20 0 CHADMN Brc1ncccc1CN1CCC2(CCCC2)C1 ZINC000876725594 1124973793 /nfs/dbraw/zinc/97/37/93/1124973793.db2.gz UERCWHLUMOXUFZ-UHFFFAOYSA-N 0 1 295.224 3.610 20 0 CHADMN Clc1csc(CNCCc2cccc(Cl)c2)n1 ZINC000876882998 1124986333 /nfs/dbraw/zinc/98/63/33/1124986333.db2.gz XIRUGFORPUGBTH-UHFFFAOYSA-N 0 1 287.215 3.782 20 0 CHADMN CC[C@H](NCc1cccc(F)c1N)c1ccccc1OC ZINC000876928214 1124991293 /nfs/dbraw/zinc/99/12/93/1124991293.db2.gz WYZVXRPFTYWKBR-HNNXBMFYSA-N 0 1 288.366 3.657 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3CCCCC3(F)F)ccc12 ZINC000450362593 1124993794 /nfs/dbraw/zinc/99/37/94/1124993794.db2.gz HZOBVHCIQWFMHC-LBPRGKRZSA-N 0 1 293.317 3.635 20 0 CHADMN Cc1cc(NCCc2cccnc2)c2cc(F)ccc2n1 ZINC000120869485 1124997099 /nfs/dbraw/zinc/99/70/99/1124997099.db2.gz AAAOWEXASGTGSC-UHFFFAOYSA-N 0 1 281.334 3.732 20 0 CHADMN Cc1cccc([C@H](C)NCc2ccc(Cl)nn2)c1C ZINC000877032208 1125000509 /nfs/dbraw/zinc/00/05/09/1125000509.db2.gz HJZRJMVLDLEQGB-LBPRGKRZSA-N 0 1 275.783 3.598 20 0 CHADMN Clc1csc(CN[C@H]2C[C@H]2Cc2ccccc2)n1 ZINC000877044560 1125001995 /nfs/dbraw/zinc/00/19/95/1125001995.db2.gz CSMPKGKBRYYRMB-NEPJUHHUSA-N 0 1 278.808 3.517 20 0 CHADMN CN(Cc1ccc(F)cc1Cl)CC1CCC(=O)CC1 ZINC000450392992 1125005924 /nfs/dbraw/zinc/00/59/24/1125005924.db2.gz PLWBEVJTEFNTIX-UHFFFAOYSA-N 0 1 283.774 3.670 20 0 CHADMN Clc1ccc(CN2CCC[C@H](c3ccccn3)C2)cn1 ZINC000821331820 1131324832 /nfs/dbraw/zinc/32/48/32/1131324832.db2.gz FBTFEMWOJSBWLP-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN CC[C@@H]1CCCCCN1Cc1nnc(C2CC2)s1 ZINC000450430486 1125022743 /nfs/dbraw/zinc/02/27/43/1125022743.db2.gz SCLBGYJHXSMVBT-GFCCVEGCSA-N 0 1 265.426 3.570 20 0 CHADMN CCC[C@@H](NC(=O)CN1CCCC[C@@H]1C)c1ccccc1 ZINC000302742815 1125026651 /nfs/dbraw/zinc/02/66/51/1125026651.db2.gz MTMOVZVRPDCODU-DOTOQJQBSA-N 0 1 288.435 3.518 20 0 CHADMN Clc1csc(CN(CC2CC2)C2CCC2)n1 ZINC000877494454 1125034594 /nfs/dbraw/zinc/03/45/94/1125034594.db2.gz WSHWMGKLDWEGAR-UHFFFAOYSA-N 0 1 256.802 3.561 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C[C@H]1CCC(=O)O1)C1CC1 ZINC000821368062 1131327218 /nfs/dbraw/zinc/32/72/18/1131327218.db2.gz JRRIOLFULIATLB-WCQYABFASA-N 0 1 293.794 3.571 20 0 CHADMN CCN(C[C@H]1CC1(Cl)Cl)[C@@H](C)c1cccnc1 ZINC000877531737 1125041109 /nfs/dbraw/zinc/04/11/09/1125041109.db2.gz QXXQHSRVEFBXDK-CMPLNLGQSA-N 0 1 273.207 3.658 20 0 CHADMN C[C@H]1c2cc(F)cc(F)c2CCN1CC1CCC(=O)CC1 ZINC000450485077 1125044911 /nfs/dbraw/zinc/04/49/11/1125044911.db2.gz NZLXYPLNGSVHAV-NSHDSACASA-N 0 1 293.357 3.643 20 0 CHADMN Fc1ccc2c(c1F)CN(C[C@@H]1CCC(F)(F)C1)CC2 ZINC000450499379 1125049446 /nfs/dbraw/zinc/04/94/46/1125049446.db2.gz KHXIIQBRTDWJLV-SNVBAGLBSA-N 0 1 287.300 3.758 20 0 CHADMN c1cc(CN2CCC(CCCc3ccccc3)CC2)n[nH]1 ZINC001137124040 1125052120 /nfs/dbraw/zinc/05/21/20/1125052120.db2.gz NLLABKWKCBQXFS-UHFFFAOYSA-N 0 1 283.419 3.645 20 0 CHADMN CSC(C)(C)CCN1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000877640312 1125058221 /nfs/dbraw/zinc/05/82/21/1125058221.db2.gz XKEICKIPRNVPDU-WDEREUQCSA-N 0 1 299.402 3.560 20 0 CHADMN Cc1nccc(N2CCC3(CCC(O)CC3)CC2)c1Cl ZINC000450574613 1125060158 /nfs/dbraw/zinc/06/01/58/1125060158.db2.gz ADCOXVKPHSQBMZ-UHFFFAOYSA-N 0 1 294.826 3.565 20 0 CHADMN COc1ccc2nc(SCC3CC(F)(F)C3)[nH]c2c1 ZINC000450581147 1125062131 /nfs/dbraw/zinc/06/21/31/1125062131.db2.gz NREVTKLWEZFOGB-UHFFFAOYSA-N 0 1 284.331 3.709 20 0 CHADMN COCC1(C2CC2)CN(Cc2cccc(Cl)c2C)C1 ZINC000877685679 1125064895 /nfs/dbraw/zinc/06/48/95/1125064895.db2.gz FBMGSUGQJCHMDB-UHFFFAOYSA-N 0 1 279.811 3.507 20 0 CHADMN CC[C@@H](NCc1ccc(COC)cc1)c1c(C)noc1C ZINC000121229481 1125068891 /nfs/dbraw/zinc/06/88/91/1125068891.db2.gz DKPKAXAWJINUKI-MRXNPFEDSA-N 0 1 288.391 3.679 20 0 CHADMN CC(F)(F)C(C)(C)CNCc1nc(Cl)cs1 ZINC000877730845 1125069470 /nfs/dbraw/zinc/06/94/70/1125069470.db2.gz GVWWZPRCBZEQBX-UHFFFAOYSA-N 0 1 268.760 3.568 20 0 CHADMN COc1cc(CN(C)[C@@H](C)c2cccnc2)ccc1Cl ZINC000450631544 1125075649 /nfs/dbraw/zinc/07/56/49/1125075649.db2.gz YKNCGEANFDFTRT-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN C[C@@H]1COC[C@@H](c2ccccc2)N1C[C@@H]1CCC(F)(F)C1 ZINC000450639360 1125077625 /nfs/dbraw/zinc/07/76/25/1125077625.db2.gz KOWVJQCVGPLKHB-FMKPAKJESA-N 0 1 295.373 3.884 20 0 CHADMN CN(Cc1cnn(C(C)(C)C)c1)Cc1ccc2cc[nH]c2c1 ZINC000877769355 1125077847 /nfs/dbraw/zinc/07/78/47/1125077847.db2.gz GTRIDPPSLPHCDG-UHFFFAOYSA-N 0 1 296.418 3.751 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc3cc[nH]c3c2)nc1 ZINC000877769279 1125078159 /nfs/dbraw/zinc/07/81/59/1125078159.db2.gz DHAHLRVWUHBYGF-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN Cc1nc(C)c(CN(C)Cc2ccc3cc[nH]c3c2)s1 ZINC000877769945 1125078782 /nfs/dbraw/zinc/07/87/82/1125078782.db2.gz QRPVRDPDEZKFLT-UHFFFAOYSA-N 0 1 285.416 3.873 20 0 CHADMN CCC(=O)CCCN1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000450656630 1125080821 /nfs/dbraw/zinc/08/08/21/1125080821.db2.gz VVYGKQDFCMAXBZ-QWHCGFSZSA-N 0 1 277.383 3.893 20 0 CHADMN C[C@]1(C(F)(F)F)CCN(Cc2ccc(C(F)F)nc2)C1 ZINC000877811077 1125082392 /nfs/dbraw/zinc/08/23/92/1125082392.db2.gz UNPLTLCFYDEJEE-LBPRGKRZSA-N 0 1 294.267 3.794 20 0 CHADMN COc1ccc(CN2CC[C@@](C)(C(F)(F)F)C2)cc1F ZINC000877813246 1125084482 /nfs/dbraw/zinc/08/44/82/1125084482.db2.gz FVTMTERSYBAMJC-CYBMUJFWSA-N 0 1 291.288 3.609 20 0 CHADMN Cc1sccc1CN1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000877819480 1125085163 /nfs/dbraw/zinc/08/51/63/1125085163.db2.gz CBLXDYSDCUYYGL-CABZTGNLSA-N 0 1 293.354 3.598 20 0 CHADMN Cc1cccc(CNC(C)(C)c2ccc(F)c(F)c2)n1 ZINC000450682761 1125086102 /nfs/dbraw/zinc/08/61/02/1125086102.db2.gz QJFIPTCMDUTBQZ-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN Cc1csc([C@H]2CCN(Cc3nc4ccccc4o3)C2)n1 ZINC000877812757 1125086284 /nfs/dbraw/zinc/08/62/84/1125086284.db2.gz AGMLNGOAXRQSIL-LBPRGKRZSA-N 0 1 299.399 3.582 20 0 CHADMN COc1nc2ccccc2cc1CNC1(C)CC(F)(F)C1 ZINC000877834802 1125088731 /nfs/dbraw/zinc/08/87/31/1125088731.db2.gz ZQMXHWWRGVESAB-UHFFFAOYSA-N 0 1 292.329 3.521 20 0 CHADMN CCCC[N@@H+](CC)Cc1coc(-c2ccccc2OC)n1 ZINC000877907782 1125099865 /nfs/dbraw/zinc/09/98/65/1125099865.db2.gz JCBJNTQIPVPJTL-UHFFFAOYSA-N 0 1 288.391 3.972 20 0 CHADMN CCCCN(CC)Cc1coc(-c2ccccc2OC)n1 ZINC000877907782 1125099874 /nfs/dbraw/zinc/09/98/74/1125099874.db2.gz JCBJNTQIPVPJTL-UHFFFAOYSA-N 0 1 288.391 3.972 20 0 CHADMN C[C@H]1SCCN(Cc2cccc(Cl)c2)[C@@H]1C ZINC000303720044 1125141075 /nfs/dbraw/zinc/14/10/75/1125141075.db2.gz RNJSCMMENGJRBY-GHMZBOCLSA-N 0 1 255.814 3.666 20 0 CHADMN COC(=O)c1ccc(CN2CCCC3(CC3)C2)cc1Cl ZINC000450759898 1125104060 /nfs/dbraw/zinc/10/40/60/1125104060.db2.gz PYASMHPEKRAPKH-UHFFFAOYSA-N 0 1 293.794 3.503 20 0 CHADMN CC(C)c1ccc(NC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)cc1 ZINC000877956118 1125105244 /nfs/dbraw/zinc/10/52/44/1125105244.db2.gz VAFYVSHUZVAFRR-SJKOYZFVSA-N 0 1 297.402 3.838 20 0 CHADMN CC[N@@H+](Cc1coc(-c2ccccc2OC)n1)C(C)C ZINC000877983691 1125111330 /nfs/dbraw/zinc/11/13/30/1125111330.db2.gz QEFDKAMOCQVGKG-UHFFFAOYSA-N 0 1 274.364 3.581 20 0 CHADMN CCN(Cc1coc(-c2ccccc2OC)n1)C(C)C ZINC000877983691 1125111333 /nfs/dbraw/zinc/11/13/33/1125111333.db2.gz QEFDKAMOCQVGKG-UHFFFAOYSA-N 0 1 274.364 3.581 20 0 CHADMN CCCN(Cc1nocc1C)[C@H]1CCc2ccccc21 ZINC000878007189 1125112759 /nfs/dbraw/zinc/11/27/59/1125112759.db2.gz NXBMLWPUYRKTEP-KRWDZBQOSA-N 0 1 270.376 3.883 20 0 CHADMN C[C@H](C1CC1)N(Cc1ccn(-c2ccccc2)n1)C1CC1 ZINC000129991838 1125119575 /nfs/dbraw/zinc/11/95/75/1125119575.db2.gz XTPGKUUEBXCCPJ-CQSZACIVSA-N 0 1 281.403 3.635 20 0 CHADMN CN(Cc1nc2c(o1)CCCC2)[C@@H]1CCc2ccccc2C1 ZINC000878106700 1125120090 /nfs/dbraw/zinc/12/00/90/1125120090.db2.gz PSOIMWOESGFWIF-MRXNPFEDSA-N 0 1 296.414 3.543 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccoc1C(=O)[O-])C1CCCCC1 ZINC000530173534 1125130264 /nfs/dbraw/zinc/13/02/64/1125130264.db2.gz QJVHYXPUUWKKDG-LBPRGKRZSA-N 0 1 279.380 3.626 20 0 CHADMN Cc1conc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000878209209 1125130224 /nfs/dbraw/zinc/13/02/24/1125130224.db2.gz DBZSGPPOJQAZJH-ZDUSSCGKSA-N 0 1 297.358 3.504 20 0 CHADMN Cc1conc1CN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000878209209 1125130228 /nfs/dbraw/zinc/13/02/28/1125130228.db2.gz DBZSGPPOJQAZJH-ZDUSSCGKSA-N 0 1 297.358 3.504 20 0 CHADMN CC1(C)CC[C@H](CNC2(c3nccs3)CCCC2)OC1 ZINC000878261638 1125135934 /nfs/dbraw/zinc/13/59/34/1125135934.db2.gz KHSPUPXEOKOBEE-CYBMUJFWSA-N 0 1 294.464 3.707 20 0 CHADMN COc1ccc([C@H]2CCCCCN2Cc2cc[nH]n2)cc1 ZINC000121692451 1125141798 /nfs/dbraw/zinc/14/17/98/1125141798.db2.gz WWLYZPZJIMLOJY-QGZVFWFLSA-N 0 1 285.391 3.536 20 0 CHADMN Cn1ccc2cccc(NCc3ccc4nc[nH]c4c3)c21 ZINC000530352231 1125144401 /nfs/dbraw/zinc/14/44/01/1125144401.db2.gz VYQHBNLHEGNGHI-UHFFFAOYSA-N 0 1 276.343 3.667 20 0 CHADMN C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCCOC(F)(F)F ZINC000878392695 1125147967 /nfs/dbraw/zinc/14/79/67/1125147967.db2.gz PXZTVNHHIBAGGR-IUCAKERBSA-N 0 1 293.251 3.576 20 0 CHADMN C[C@H]1CC[C@H](C(F)(F)F)CN1CCCOC(F)(F)F ZINC000878392695 1125147972 /nfs/dbraw/zinc/14/79/72/1125147972.db2.gz PXZTVNHHIBAGGR-IUCAKERBSA-N 0 1 293.251 3.576 20 0 CHADMN CC[C@@H](NC[C@@H]1CCC2(CCC2)O1)c1nc(C)cs1 ZINC000878408667 1125150246 /nfs/dbraw/zinc/15/02/46/1125150246.db2.gz VRTQIJGFFQANBB-QWHCGFSZSA-N 0 1 280.437 3.594 20 0 CHADMN CCc1nc([C@H](C)NC[C@@H]2CCC(C)(C)CO2)cs1 ZINC000878419488 1125151490 /nfs/dbraw/zinc/15/14/90/1125151490.db2.gz WWHLUBUJPPAOPQ-RYUDHWBXSA-N 0 1 282.453 3.561 20 0 CHADMN Cc1csc(C2(NC[C@H]3CCC(C)(C)CO3)CCC2)n1 ZINC000878417348 1125152114 /nfs/dbraw/zinc/15/21/14/1125152114.db2.gz KRKGOHLOWIZWRO-CYBMUJFWSA-N 0 1 294.464 3.626 20 0 CHADMN CC(C)N(Cc1scnc1Cl)CC1CCC1 ZINC000878516448 1125157845 /nfs/dbraw/zinc/15/78/45/1125157845.db2.gz RFEYGCPXXUAQRY-UHFFFAOYSA-N 0 1 258.818 3.807 20 0 CHADMN CO[C@@]1(C)CCCN(Cc2cc(C(F)(F)F)co2)CC1 ZINC000878540613 1125159858 /nfs/dbraw/zinc/15/98/58/1125159858.db2.gz VRMKXJMNAOKDTN-ZDUSSCGKSA-N 0 1 291.313 3.689 20 0 CHADMN Cc1nc(-c2ccccc2)oc1CN1CCC(F)(F)CC1 ZINC000878542523 1125161370 /nfs/dbraw/zinc/16/13/70/1125161370.db2.gz MGDXHMNIMYVBFS-UHFFFAOYSA-N 0 1 292.329 3.881 20 0 CHADMN FC(F)(F)CC1CCN(CCCOC(F)(F)F)CC1 ZINC000878573650 1125162580 /nfs/dbraw/zinc/16/25/80/1125162580.db2.gz LDVGMRVVOWZZCY-UHFFFAOYSA-N 0 1 293.251 3.577 20 0 CHADMN Cc1noc([C@H]2CCC[N@@H+]2C[C@H](C)CC(C)(C)C)n1 ZINC000878613963 1125165680 /nfs/dbraw/zinc/16/56/80/1125165680.db2.gz APCCZNAPNZRGAN-DGCLKSJQSA-N 0 1 265.401 3.587 20 0 CHADMN FC(F)Oc1ccccc1CN1CCSC[C@@H]1C1CC1 ZINC000451646333 1125170730 /nfs/dbraw/zinc/17/07/30/1125170730.db2.gz IKDUMPPANTZNBO-CYBMUJFWSA-N 0 1 299.386 3.615 20 0 CHADMN CC1(C)CO[C@H](CCC(=O)Nc2cccc(Cl)c2O)C1 ZINC000878822857 1125181395 /nfs/dbraw/zinc/18/13/95/1125181395.db2.gz XHYMWBMMAHNFGD-SNVBAGLBSA-N 0 1 297.782 3.579 20 0 CHADMN CC(C)C[C@H](C)N(C)C(=O)CN(C)[C@H](C)c1ccccc1 ZINC000530905282 1125185447 /nfs/dbraw/zinc/18/54/47/1125185447.db2.gz HLLWEHHWLMXXKN-JKSUJKDBSA-N 0 1 290.451 3.572 20 0 CHADMN CC(C)C[C@H](C)N(C)C(=O)CN(C)[C@@H](C)c1ccccc1 ZINC000530905280 1125185819 /nfs/dbraw/zinc/18/58/19/1125185819.db2.gz HLLWEHHWLMXXKN-HOTGVXAUSA-N 0 1 290.451 3.572 20 0 CHADMN CC(C)Oc1ccccc1C[N@H+]1CCC[C@H](CF)C1 ZINC001137139357 1125187402 /nfs/dbraw/zinc/18/74/02/1125187402.db2.gz RUFAACVZNIVBPZ-CQSZACIVSA-N 0 1 265.372 3.655 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@H](CCF)C2)nc1Cl ZINC000878949315 1125187578 /nfs/dbraw/zinc/18/75/78/1125187578.db2.gz LEJJEFMHHJLMAY-GFCCVEGCSA-N 0 1 270.779 3.615 20 0 CHADMN Cc1ccc(CN2CCC[C@H](CCF)C2)nc1Cl ZINC000878949315 1125187579 /nfs/dbraw/zinc/18/75/79/1125187579.db2.gz LEJJEFMHHJLMAY-GFCCVEGCSA-N 0 1 270.779 3.615 20 0 CHADMN OCC[C@@H](NCc1ccc(F)cc1Cl)c1ccccc1 ZINC000305146677 1125195596 /nfs/dbraw/zinc/19/55/96/1125195596.db2.gz NQAPORVZOBXCAO-MRXNPFEDSA-N 0 1 293.769 3.692 20 0 CHADMN Clc1cccc(CN2CCC3(CCSCC3)CC2)n1 ZINC000879198598 1125201416 /nfs/dbraw/zinc/20/14/16/1125201416.db2.gz HDINVTMPFAYSIG-UHFFFAOYSA-N 0 1 296.867 3.844 20 0 CHADMN Cc1cccc2c(CN3CCC[C@H]3c3cccnc3)[nH]nc21 ZINC001137142130 1125204235 /nfs/dbraw/zinc/20/42/35/1125204235.db2.gz TZLZIBIXIISNSM-KRWDZBQOSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1cccc2c(CN3CCC(C(F)(F)F)CC3)[nH]nc21 ZINC001137142266 1125204649 /nfs/dbraw/zinc/20/46/49/1125204649.db2.gz WTAXUYJIOALATM-UHFFFAOYSA-N 0 1 297.324 3.646 20 0 CHADMN Fc1ccc(F)c(CN2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000531231639 1125205145 /nfs/dbraw/zinc/20/51/45/1125205145.db2.gz KGASNFWOWAILPA-LSDHHAIUSA-N 0 1 283.387 3.825 20 0 CHADMN C[C@H](NCc1csc(Cl)n1)[C@@]12C[C@@H]1CCCC2 ZINC000879266022 1125205455 /nfs/dbraw/zinc/20/54/55/1125205455.db2.gz PYJSZCDOPJONGG-OUJBWJOFSA-N 0 1 270.829 3.855 20 0 CHADMN C[C@H](NCc1ncc(C2CC2)o1)[C@]12C[C@H]1CCCC2 ZINC000879265759 1125205501 /nfs/dbraw/zinc/20/55/01/1125205501.db2.gz NBBXHTTYDMBKRD-GHJWDPDVSA-N 0 1 260.381 3.610 20 0 CHADMN CCCc1nc(CNC(C)(C)[C@H]2CCCCO2)cs1 ZINC000879409760 1125212942 /nfs/dbraw/zinc/21/29/42/1125212942.db2.gz YUWYXGTXQLNUMN-CYBMUJFWSA-N 0 1 282.453 3.533 20 0 CHADMN F[C@]1(c2ccccc2)CCCN(CCc2cscn2)C1 ZINC000879480251 1125216646 /nfs/dbraw/zinc/21/66/46/1125216646.db2.gz TZSNIYFDSVYLHR-MRXNPFEDSA-N 0 1 290.407 3.646 20 0 CHADMN CCC1(CO)CCN([C@H](C)c2c(F)cccc2F)CC1 ZINC000305743089 1125221911 /nfs/dbraw/zinc/22/19/11/1125221911.db2.gz OGBHKYGHPCICHZ-GFCCVEGCSA-N 0 1 283.362 3.510 20 0 CHADMN CC[C@@H](N[C@H](C)c1cccc(CO)c1)c1c(C)noc1C ZINC000305783505 1125225346 /nfs/dbraw/zinc/22/53/46/1125225346.db2.gz QJGIWHRCRIUCMJ-BDJLRTHQSA-N 0 1 288.391 3.586 20 0 CHADMN CC(C)c1ccc(-c2noc([C@@H]3C[C@H](C)CCN3)n2)cc1 ZINC000127937820 1125225559 /nfs/dbraw/zinc/22/55/59/1125225559.db2.gz XJKVVQPRHABIGN-DOMZBBRYSA-N 0 1 285.391 3.921 20 0 CHADMN CCC1CCC(NCc2nnc(C(C)(C)C)s2)CC1 ZINC000531566479 1125225876 /nfs/dbraw/zinc/22/58/76/1125225876.db2.gz RMLDTRGAEUNDDA-UHFFFAOYSA-N 0 1 281.469 3.894 20 0 CHADMN C[C@@H](NCc1ccc(C2CCC2)cc1)c1ccncn1 ZINC000453220508 1125230433 /nfs/dbraw/zinc/23/04/33/1125230433.db2.gz UJPKMIBSWLAGQG-CYBMUJFWSA-N 0 1 267.376 3.595 20 0 CHADMN Cc1nsc(C)c1CN1CCC[C@H]1c1cncc(C)c1 ZINC000879751629 1125230903 /nfs/dbraw/zinc/23/09/03/1125230903.db2.gz KOYWKQNIBDTHBJ-INIZCTEOSA-N 0 1 287.432 3.800 20 0 CHADMN CCCC1(CCC)CCCN1Cc1nc(C(F)F)no1 ZINC000880093578 1125249796 /nfs/dbraw/zinc/24/97/96/1125249796.db2.gz BJBZAQOPGICVIH-UHFFFAOYSA-N 0 1 287.354 3.942 20 0 CHADMN C[C@H]1CN(CCC(C)(C)C)C[C@@H](c2ccsc2)O1 ZINC000532351689 1125250662 /nfs/dbraw/zinc/25/06/62/1125250662.db2.gz MCQMJKMROAUZKT-JSGCOSHPSA-N 0 1 267.438 3.946 20 0 CHADMN COC(C)(C)[C@H]1CCCN1Cc1ccc(Cl)cc1F ZINC001137660298 1131342758 /nfs/dbraw/zinc/34/27/58/1131342758.db2.gz CDJSEVUZQSSVSS-CQSZACIVSA-N 0 1 285.790 3.869 20 0 CHADMN FC[C@@H]1CCN(Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000880300587 1125262939 /nfs/dbraw/zinc/26/29/39/1125262939.db2.gz UFXICXVEFHJHJW-NSHDSACASA-N 0 1 294.757 3.786 20 0 CHADMN CCOC(=O)c1nc2ccc(-c3cccc(C)c3)cc2[nH]1 ZINC001239489091 1131343045 /nfs/dbraw/zinc/34/30/45/1131343045.db2.gz KSGAFJQNHGDEIO-UHFFFAOYSA-N 0 1 280.327 3.715 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CC[C@H](c2nccs2)C1 ZINC000880317040 1125264738 /nfs/dbraw/zinc/26/47/38/1125264738.db2.gz OPYUQTQRDHEXRN-MNOVXSKESA-N 0 1 294.370 3.972 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CC[C@@H](c2nccs2)C1 ZINC000880316582 1125264820 /nfs/dbraw/zinc/26/48/20/1125264820.db2.gz HXXILTUIVLJWGU-GHMZBOCLSA-N 0 1 294.370 3.972 20 0 CHADMN CC[C@@H](NCc1ccoc1C)c1ccccc1OC ZINC000321010057 1125265417 /nfs/dbraw/zinc/26/54/17/1125265417.db2.gz UGXOXPIADHWNDZ-OAHLLOKOSA-N 0 1 259.349 3.838 20 0 CHADMN Fc1cc(CN2CC[C@@H](c3nccs3)C2)ccc1Cl ZINC000880320085 1125265426 /nfs/dbraw/zinc/26/54/26/1125265426.db2.gz NWTYAVCARFDIMI-LLVKDONJSA-N 0 1 296.798 3.925 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1[nH]nc3c1cccc3C)C2 ZINC001137150625 1125266071 /nfs/dbraw/zinc/26/60/71/1125266071.db2.gz PPFMPLFDDUJJHJ-UHFFFAOYSA-N 0 1 291.398 3.738 20 0 CHADMN Cc1nocc1CN1CCCSC[C@@H]1c1ccccc1 ZINC000880388033 1125271525 /nfs/dbraw/zinc/27/15/25/1125271525.db2.gz HQOWLGIWGIGFIX-MRXNPFEDSA-N 0 1 288.416 3.663 20 0 CHADMN Cc1cncc(CN2C[C@@H]3CC[C@H]2c2ccccc23)c1 ZINC000880537753 1125278711 /nfs/dbraw/zinc/27/87/11/1125278711.db2.gz XVONOZJNMPGFSZ-YJBOKZPZSA-N 0 1 264.372 3.824 20 0 CHADMN Cc1cc(C)c([C@@H](C)N2CCc3ncncc3C2)c(C)c1 ZINC000880596131 1125281859 /nfs/dbraw/zinc/28/18/59/1125281859.db2.gz CFRRYKYNZPCBMF-OAHLLOKOSA-N 0 1 281.403 3.521 20 0 CHADMN CCc1cnc(CN(C)CCc2ccc(CC)cc2)s1 ZINC000475741561 1125285598 /nfs/dbraw/zinc/28/55/98/1125285598.db2.gz YKYKNJGZOOAKJZ-UHFFFAOYSA-N 0 1 288.460 3.942 20 0 CHADMN CN(Cc1ccc(C(C)(C)C)s1)Cc1cccc(=O)[nH]1 ZINC000897392198 1125288339 /nfs/dbraw/zinc/28/83/39/1125288339.db2.gz RGFZUNYQQZLXHT-UHFFFAOYSA-N 0 1 290.432 3.778 20 0 CHADMN c1ccc(Oc2ccc(-c3ncnc4c3CNC4)cc2)cc1 ZINC001239493074 1131345906 /nfs/dbraw/zinc/34/59/06/1131345906.db2.gz MUHKSKJACMJEDC-UHFFFAOYSA-N 0 1 289.338 3.539 20 0 CHADMN CCCC1(CCC)CCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000881461349 1125310887 /nfs/dbraw/zinc/31/08/87/1125310887.db2.gz CAMLLTILTCGJRW-UHFFFAOYSA-N 0 1 299.365 3.922 20 0 CHADMN Cc1cc(CNCc2cccnc2OC(C)C)ccc1F ZINC000050545654 1125315290 /nfs/dbraw/zinc/31/52/90/1125315290.db2.gz VCXPPVTYOUCATM-UHFFFAOYSA-N 0 1 288.366 3.606 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccc3c2OCC3)cc1C ZINC000897414466 1125316053 /nfs/dbraw/zinc/31/60/53/1125316053.db2.gz CLULYYBEHOYYED-CQSZACIVSA-N 0 1 297.398 3.789 20 0 CHADMN CCCCCC[C@H](C)NC(=O)Cc1[nH]nc2ccccc21 ZINC000050558141 1125317784 /nfs/dbraw/zinc/31/77/84/1125317784.db2.gz LBIHFGIYCSIFCP-ZDUSSCGKSA-N 0 1 287.407 3.581 20 0 CHADMN CCOc1ccc(CN[C@H]2CCCc3occc32)cc1F ZINC000190937906 1125320319 /nfs/dbraw/zinc/32/03/19/1125320319.db2.gz IKOKRMYJXFONIQ-HNNXBMFYSA-N 0 1 289.350 3.985 20 0 CHADMN CC(C)N(C)c1ccc(CN(C)Cc2ccccc2)cn1 ZINC000191146305 1125323635 /nfs/dbraw/zinc/32/36/35/1125323635.db2.gz AWAZNJOLMASRQK-UHFFFAOYSA-N 0 1 283.419 3.558 20 0 CHADMN Oc1cccc2c1CCC[C@@H]2NCc1cccc(F)c1F ZINC000191655023 1125326101 /nfs/dbraw/zinc/32/61/01/1125326101.db2.gz GXHPIDRSVCKKGK-HNNXBMFYSA-N 0 1 289.325 3.838 20 0 CHADMN CC(C)(C)n1cc(CNCc2ccc(C3CC3)cc2)cn1 ZINC000191683320 1125327619 /nfs/dbraw/zinc/32/76/19/1125327619.db2.gz AIGBCSHHVSACDF-UHFFFAOYSA-N 0 1 283.419 3.805 20 0 CHADMN COC[C@H](NCc1cccnc1C)c1ccc(Cl)cc1 ZINC000193278728 1125337950 /nfs/dbraw/zinc/33/79/50/1125337950.db2.gz SGVPIBXACVEKIM-INIZCTEOSA-N 0 1 290.794 3.521 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@H](F)C1 ZINC001168181434 1125349157 /nfs/dbraw/zinc/34/91/57/1125349157.db2.gz ZFEHCVQIDZZZPK-RISCZKNCSA-N 0 1 255.764 3.705 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)C[C@@H]1C ZINC001168202385 1125397389 /nfs/dbraw/zinc/39/73/89/1125397389.db2.gz UDRFPMDOGPFQKZ-MNOVXSKESA-N 0 1 255.764 3.957 20 0 CHADMN Cc1occc1CN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000666356076 1125357905 /nfs/dbraw/zinc/35/79/05/1125357905.db2.gz DVHSGDSLZSSCQI-SKDRFNHKSA-N 0 1 261.287 3.751 20 0 CHADMN CO[C@H]1c2ccccc2C[C@H]1NCc1cscc1Cl ZINC000666411736 1125364407 /nfs/dbraw/zinc/36/44/07/1125364407.db2.gz KKMIGVHGYVBOFD-CABCVRRESA-N 0 1 293.819 3.804 20 0 CHADMN Cc1ccc(-c2nc(CN[C@@H]3CS[C@H](C)C3)co2)cc1 ZINC000666418264 1125365276 /nfs/dbraw/zinc/36/52/76/1125365276.db2.gz VLZCEJAJSTZHQH-OCCSQVGLSA-N 0 1 288.416 3.634 20 0 CHADMN CC(C)c1c[nH]c(CN[C@]2(C)CCCc3ccccc32)n1 ZINC000883003602 1125367348 /nfs/dbraw/zinc/36/73/48/1125367348.db2.gz XBMPQEPLEKKXRC-GOSISDBHSA-N 0 1 283.419 3.874 20 0 CHADMN CC[C@H](NCc1cccc(Cl)c1N)c1c(C)noc1C ZINC000883076676 1125370500 /nfs/dbraw/zinc/37/05/00/1125370500.db2.gz JXZCJKWTWIHAQG-ZDUSSCGKSA-N 0 1 293.798 3.768 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)N3[C@H](C)CC[C@@H]3C)n2)o1 ZINC000350805238 1125372747 /nfs/dbraw/zinc/37/27/47/1125372747.db2.gz NFNTYMXCGYNFTE-UMNHJUIQSA-N 0 1 275.352 3.572 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1nc(C(C)C)c[nH]1 ZINC000883130866 1125373065 /nfs/dbraw/zinc/37/30/65/1125373065.db2.gz VVJJVTHHFYPITI-UHFFFAOYSA-N 0 1 271.408 3.866 20 0 CHADMN CC(C)c1c[nH]c(CNCC2(C(F)(F)F)CCCC2)n1 ZINC000883190491 1125375939 /nfs/dbraw/zinc/37/59/39/1125375939.db2.gz FCPZHJJPGRQWGC-UHFFFAOYSA-N 0 1 289.345 3.745 20 0 CHADMN C/C=C\C[C@@H]1CCCN([C@H](C)c2nc(C(C)C)no2)C1 ZINC000626161830 1125377408 /nfs/dbraw/zinc/37/74/08/1125377408.db2.gz JYXVURPUMLZCGX-HLMASZERSA-N 0 1 277.412 3.932 20 0 CHADMN CC(C)c1cnc(CNC[C@H]2CCC(C)(C)CO2)s1 ZINC000883243795 1125382605 /nfs/dbraw/zinc/38/26/05/1125382605.db2.gz XYGJZTZGCJSZDV-GFCCVEGCSA-N 0 1 282.453 3.561 20 0 CHADMN CC(C)(O)[C@H]1CCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000721871501 1125384207 /nfs/dbraw/zinc/38/42/07/1125384207.db2.gz ORRSSVGVUNIMPX-NSHDSACASA-N 0 1 288.218 3.586 20 0 CHADMN CC(C)Oc1cc(Cl)ccc1CNCc1ccncc1 ZINC000883259448 1125387185 /nfs/dbraw/zinc/38/71/85/1125387185.db2.gz MXFJUOBMMRZMDM-UHFFFAOYSA-N 0 1 290.794 3.812 20 0 CHADMN CC1(C)C[C@]1(C)CN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000883261254 1125387836 /nfs/dbraw/zinc/38/78/36/1125387836.db2.gz WEBHVMCCNGUBRP-RHSMWYFYSA-N 0 1 269.392 3.525 20 0 CHADMN CC1(C)C[C@@]1(C)CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000883261256 1125387907 /nfs/dbraw/zinc/38/79/07/1125387907.db2.gz WEBHVMCCNGUBRP-YOEHRIQHSA-N 0 1 269.392 3.525 20 0 CHADMN Cc1ccc(CNCc2ccc(C)nc2Cl)c(C)c1 ZINC000883291327 1125391425 /nfs/dbraw/zinc/39/14/25/1125391425.db2.gz ACKKBTZIUVUJJP-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN CCCCC[N@@H+](CCOc1cccc(C(=O)[O-])c1)C(C)C ZINC000042557905 1125391975 /nfs/dbraw/zinc/39/19/75/1125391975.db2.gz XWPUKAYBQXTFNI-UHFFFAOYSA-N 0 1 293.407 3.664 20 0 CHADMN CC(C)Cc1ccc(CN2CCOC3(CCC3)C2)cc1 ZINC001168200214 1125392121 /nfs/dbraw/zinc/39/21/21/1125392121.db2.gz GNLGHUCSPROLEF-UHFFFAOYSA-N 0 1 273.420 3.640 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3cc(F)ccc32)c(Cl)n1 ZINC000883301388 1125392326 /nfs/dbraw/zinc/39/23/26/1125392326.db2.gz YSCKZYZPICBTAX-HNNXBMFYSA-N 0 1 290.769 3.960 20 0 CHADMN C[C@@H](CCC1CCCC1)NC1(c2ncccn2)CCC1 ZINC000883312588 1125393478 /nfs/dbraw/zinc/39/34/78/1125393478.db2.gz IERHVFXCLGZJGU-AWEZNQCLSA-N 0 1 273.424 3.804 20 0 CHADMN Cc1cccc(CC[C@@H](C)NC2(c3ncccn3)CCC2)c1 ZINC000883314083 1125394364 /nfs/dbraw/zinc/39/43/64/1125394364.db2.gz VFOBOTFIMFNPLQ-MRXNPFEDSA-N 0 1 295.430 3.775 20 0 CHADMN C[C@H](CCc1ccc(F)cc1)NC1(c2ncccn2)CCC1 ZINC000883313995 1125394684 /nfs/dbraw/zinc/39/46/84/1125394684.db2.gz SCMCRZPWNLJGIV-CQSZACIVSA-N 0 1 299.393 3.606 20 0 CHADMN COc1cccc2c1OCCC[C@@H]2N[C@H](C)c1cccnc1 ZINC000883330400 1125396871 /nfs/dbraw/zinc/39/68/71/1125396871.db2.gz DTFZTGDTNVMRNN-CJNGLKHVSA-N 0 1 298.386 3.655 20 0 CHADMN C[C@@H](N(C)Cc1nc(-c2ccccc2)no1)C(C)(C)C ZINC000532490700 1125407480 /nfs/dbraw/zinc/40/74/80/1125407480.db2.gz HOSSBYWAZISEHE-GFCCVEGCSA-N 0 1 273.380 3.603 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@H](C)c2cnn(C(C)C)c2)s1 ZINC000532511560 1125409041 /nfs/dbraw/zinc/40/90/41/1125409041.db2.gz MBMGUPPPOQWEGT-GHMZBOCLSA-N 0 1 292.452 3.949 20 0 CHADMN Cc1ccccc1[C@@H](CO)N[C@H](C)c1cc(F)cc(F)c1 ZINC000532550970 1125410516 /nfs/dbraw/zinc/41/05/16/1125410516.db2.gz HFKFHIXFSDXDNU-SJKOYZFVSA-N 0 1 291.341 3.657 20 0 CHADMN c1[nH]c2ccccc2c1C1=CCN(Cc2ccccn2)CC1 ZINC000108640513 1125414328 /nfs/dbraw/zinc/41/43/28/1125414328.db2.gz MJPPTSVCNMRELL-UHFFFAOYSA-N 0 1 289.382 3.852 20 0 CHADMN CC1CCC(N2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001168221840 1125419614 /nfs/dbraw/zinc/41/96/14/1125419614.db2.gz REBZHZVICAVFAP-SRHKJQAYSA-N 0 1 287.329 3.922 20 0 CHADMN F[C@H]1C[C@H](CNc2ccnc(C3(C(F)(F)F)CC3)c2)C1 ZINC001168238514 1125422873 /nfs/dbraw/zinc/42/28/73/1125422873.db2.gz HOVMLSVUUAXRBG-MGCOHNPYSA-N 0 1 288.288 3.836 20 0 CHADMN Cc1cc(C)c([C@H](C)N(C)Cc2cnccn2)c(C)c1 ZINC000532633211 1125429466 /nfs/dbraw/zinc/42/94/66/1125429466.db2.gz XXVZRGIZENXZLV-HNNXBMFYSA-N 0 1 269.392 3.595 20 0 CHADMN CCN(Cc1c(F)cccc1Cl)CC1CCOCC1 ZINC001202598359 1125440009 /nfs/dbraw/zinc/44/00/09/1125440009.db2.gz LMWPCMORYAHAPL-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN CCCC[N@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC001168252637 1125440199 /nfs/dbraw/zinc/44/01/99/1125440199.db2.gz PYHURQIBRPGTER-NSHDSACASA-N 0 1 282.225 3.996 20 0 CHADMN CCCCN1Cc2cc(Br)ccc2C[C@@H]1C ZINC001168252637 1125440202 /nfs/dbraw/zinc/44/02/02/1125440202.db2.gz PYHURQIBRPGTER-NSHDSACASA-N 0 1 282.225 3.996 20 0 CHADMN CCN(Cc1ccc2ncccc2c1)Cc1ccccn1 ZINC000124802504 1125443145 /nfs/dbraw/zinc/44/31/45/1125443145.db2.gz SEIHWYVYGCBRAW-UHFFFAOYSA-N 0 1 277.371 3.652 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(C(C)(C)O)cc2)oc1C ZINC000282853682 1125444992 /nfs/dbraw/zinc/44/49/92/1125444992.db2.gz UGAFMGBRHXHVSE-CYBMUJFWSA-N 0 1 287.403 3.975 20 0 CHADMN CN(CCc1ccncc1)Cc1ccc(F)cc1Cl ZINC000107062847 1125446119 /nfs/dbraw/zinc/44/61/19/1125446119.db2.gz CYAWPHRRZALQHY-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@H](C)c1ccc(F)nc1 ZINC000930179355 1125450398 /nfs/dbraw/zinc/45/03/98/1125450398.db2.gz CYSATTCGPRIIQZ-VXGBXAGGSA-N 0 1 274.339 3.641 20 0 CHADMN C[C@@H]1CCCCN1Cc1csc(-c2ccoc2)n1 ZINC000108355975 1125452576 /nfs/dbraw/zinc/45/25/76/1125452576.db2.gz QRSNKNVTPPJCDF-LLVKDONJSA-N 0 1 262.378 3.778 20 0 CHADMN c1cc(-c2nc(CN3CCCCCC3)cs2)co1 ZINC000108355442 1125452881 /nfs/dbraw/zinc/45/28/81/1125452881.db2.gz ZTNZJUYSLWNSTF-UHFFFAOYSA-N 0 1 262.378 3.779 20 0 CHADMN CSc1ccc(CN2CC(CC3CC3)C2)s1 ZINC000621740551 1129189652 /nfs/dbraw/zinc/18/96/52/1129189652.db2.gz WJJXYGKGGDTQJC-UHFFFAOYSA-N 0 1 253.436 3.702 20 0 CHADMN CC(C)C1(N[C@@H](C)c2ncc(Br)s2)CC1 ZINC000293693475 1129195419 /nfs/dbraw/zinc/19/54/19/1129195419.db2.gz LJOTXFDGMYENEX-QMMMGPOBSA-N 0 1 289.242 3.745 20 0 CHADMN CCCC[C@H](C)N(CCCC)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635967885 1129195541 /nfs/dbraw/zinc/19/55/41/1129195541.db2.gz LZKJNLLISLGYCX-RRFJBIMHSA-N 0 1 291.439 3.721 20 0 CHADMN CSC(C)(C)C[C@@H](C)NC1(c2ccccc2C)COC1 ZINC001258325711 1129202305 /nfs/dbraw/zinc/20/23/05/1129202305.db2.gz CIILHKHHKULOPN-CQSZACIVSA-N 0 1 293.476 3.730 20 0 CHADMN COC1(CN[C@@H](c2ccccc2)c2ccccn2)CCCC1 ZINC000296238526 1129220967 /nfs/dbraw/zinc/22/09/67/1129220967.db2.gz ARNGEUDPSKUDBU-SFHVURJKSA-N 0 1 296.414 3.720 20 0 CHADMN CN([C@@H](c1nccn1C)C1CC1)[C@H]1CCCc2ccccc21 ZINC000637869400 1129233318 /nfs/dbraw/zinc/23/33/18/1129233318.db2.gz VEMMFKORJOZETB-ZWKOTPCHSA-N 0 1 295.430 3.881 20 0 CHADMN Cc1ccc([C@H](C)N(C)[C@@H](c2nccn2C)C2CC2)cc1 ZINC000637901962 1129236096 /nfs/dbraw/zinc/23/60/96/1129236096.db2.gz ONGLHYXGEUYTQA-WMLDXEAASA-N 0 1 283.419 3.873 20 0 CHADMN Cc1ncc([C@@H](C)N2CCCC[C@H]2c2ccco2)c(C)n1 ZINC000638073482 1129242847 /nfs/dbraw/zinc/24/28/47/1129242847.db2.gz DKMIKYXHPDWYAN-CJNGLKHVSA-N 0 1 285.391 3.975 20 0 CHADMN Cc1ncc([C@H](C)N2CCS[C@@H]3CCCC[C@H]32)c(C)n1 ZINC000638120423 1129245172 /nfs/dbraw/zinc/24/51/72/1129245172.db2.gz GDMONLNCOFTDSZ-APHBMKBZSA-N 0 1 291.464 3.514 20 0 CHADMN CN(Cc1ccc[nH]1)Cc1ccccc1CC(F)(F)F ZINC000638150351 1129246277 /nfs/dbraw/zinc/24/62/77/1129246277.db2.gz MAHHCWPEQLUPBU-UHFFFAOYSA-N 0 1 282.309 3.752 20 0 CHADMN Fc1ccc(C2CCN(Cc3cccnc3F)CC2)cc1 ZINC001138788572 1129252374 /nfs/dbraw/zinc/25/23/74/1129252374.db2.gz FGDAFYZEIXAZAR-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1cnc(Cl)s1 ZINC000718187908 1129257824 /nfs/dbraw/zinc/25/78/24/1129257824.db2.gz SGYYNLWEEKRWMT-GFCCVEGCSA-N 0 1 282.771 3.713 20 0 CHADMN Cc1cnc(CNCCCc2cccc(C(F)(F)F)c2)o1 ZINC000638443751 1129258878 /nfs/dbraw/zinc/25/88/78/1129258878.db2.gz RZNKRBUZZCJFHV-UHFFFAOYSA-N 0 1 298.308 3.724 20 0 CHADMN Cn1ccnc1[C@H](N[C@H]1CCCCc2ccccc21)C1CC1 ZINC000638475185 1129260109 /nfs/dbraw/zinc/26/01/09/1129260109.db2.gz VQCNTWHLNAXGDB-ZWKOTPCHSA-N 0 1 295.430 3.929 20 0 CHADMN CN(Cc1cn2ccsc2n1)[C@@H]1CCCc2ccccc21 ZINC000622500364 1129261481 /nfs/dbraw/zinc/26/14/81/1129261481.db2.gz MSNVNARVDHIJMJ-MRXNPFEDSA-N 0 1 297.427 3.905 20 0 CHADMN Cc1cnc(CNCC(C)(C)c2ccc(F)cc2Cl)o1 ZINC000638614043 1129263623 /nfs/dbraw/zinc/26/36/23/1129263623.db2.gz ONOGJHNEXSSQOU-UHFFFAOYSA-N 0 1 296.773 3.843 20 0 CHADMN COc1ncc(CN[C@@H](CC2CC2)c2ccccc2)s1 ZINC000638630417 1129264256 /nfs/dbraw/zinc/26/42/56/1129264256.db2.gz MENFYUJTDDDYIQ-HNNXBMFYSA-N 0 1 288.416 3.783 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc(F)c2N)cc1F ZINC000638763330 1129270006 /nfs/dbraw/zinc/27/00/06/1129270006.db2.gz YYFRGOXRTWXORG-LLVKDONJSA-N 0 1 276.330 3.706 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1ccc2cccnc2c1 ZINC000733798550 1129271126 /nfs/dbraw/zinc/27/11/26/1129271126.db2.gz VLPBGHHKEHEIPU-NSHDSACASA-N 0 1 281.359 3.690 20 0 CHADMN CC[C@H](CC1CCCC1)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795411092 1129272432 /nfs/dbraw/zinc/27/24/32/1129272432.db2.gz CRWXKJIBKVLLLT-CYBMUJFWSA-N 0 1 293.411 3.578 20 0 CHADMN CC[C@H](CC1CCCC1)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795411092 1129272437 /nfs/dbraw/zinc/27/24/37/1129272437.db2.gz CRWXKJIBKVLLLT-CYBMUJFWSA-N 0 1 293.411 3.578 20 0 CHADMN c1cnn(C2CC(N[C@@H](c3ccco3)c3ccccc3)C2)c1 ZINC000638850884 1129272808 /nfs/dbraw/zinc/27/28/08/1129272808.db2.gz IBZDAJIPGGGAMV-LEOMRAHMSA-N 0 1 293.370 3.559 20 0 CHADMN OC[C@H](NCc1cccc(C(F)F)c1)c1cccc(F)c1 ZINC000348036710 1129276085 /nfs/dbraw/zinc/27/60/85/1129276085.db2.gz QFZHZRWIQGGVJV-HNNXBMFYSA-N 0 1 295.304 3.587 20 0 CHADMN Cc1noc([C@@H](C)N[C@@H](C)[C@@H]2CCC(C)=C(C)C2)n1 ZINC000639098566 1129280544 /nfs/dbraw/zinc/28/05/44/1129280544.db2.gz QIYPKHVSAVQSRX-OUCADQQQSA-N 0 1 263.385 3.554 20 0 CHADMN Cc1nnsc1CN[C@H]1CCc2ccc(C(C)C)cc21 ZINC000639094218 1129280821 /nfs/dbraw/zinc/28/08/21/1129280821.db2.gz QAKXHZQREPRHSS-HNNXBMFYSA-N 0 1 287.432 3.747 20 0 CHADMN C[C@]12CCCC[C@H]1CN2Cc1cc(-c2ccco2)on1 ZINC000626105541 1129281465 /nfs/dbraw/zinc/28/14/65/1129281465.db2.gz JJRZCEAWBLMLPE-LRDDRELGSA-N 0 1 272.348 3.699 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1noc2c1CCCC2 ZINC000177542151 1129284261 /nfs/dbraw/zinc/28/42/61/1129284261.db2.gz YGEXMBMTTUVKJK-GOEBONIOSA-N 0 1 296.414 3.931 20 0 CHADMN C[C@H](C(=O)O[C@@H](C)c1ccccc1)N1CCCCCC1 ZINC000733912726 1129285448 /nfs/dbraw/zinc/28/54/48/1129285448.db2.gz ZAQWQCGTIAADEX-CABCVRRESA-N 0 1 275.392 3.555 20 0 CHADMN Cc1scc(CNCc2cnc(Cl)s2)c1C ZINC000718831156 1129289164 /nfs/dbraw/zinc/28/91/64/1129289164.db2.gz UEQNUUKJWSUCMV-UHFFFAOYSA-N 0 1 272.826 3.765 20 0 CHADMN CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccns1 ZINC000639188095 1129290139 /nfs/dbraw/zinc/29/01/39/1129290139.db2.gz QBFCNIFSVDHKSF-OAHLLOKOSA-N 0 1 276.405 3.735 20 0 CHADMN CC[C@H](c1cccc(OC)c1)N(C)Cc1ccns1 ZINC000639188095 1129290143 /nfs/dbraw/zinc/29/01/43/1129290143.db2.gz QBFCNIFSVDHKSF-OAHLLOKOSA-N 0 1 276.405 3.735 20 0 CHADMN FC(F)C1(N[C@H](c2nnc[nH]2)C2CCCCC2)CCCC1 ZINC000639186395 1129290316 /nfs/dbraw/zinc/29/03/16/1129290316.db2.gz MGOCHYVIYYDAHI-LBPRGKRZSA-N 0 1 298.381 3.594 20 0 CHADMN C[C@H](CNCc1nccc(C(F)F)n1)C1CCCCC1 ZINC000639184462 1129290576 /nfs/dbraw/zinc/29/05/76/1129290576.db2.gz QALTYTCDUJKMDB-LLVKDONJSA-N 0 1 283.366 3.720 20 0 CHADMN CC(C)[C@@H]1N(Cc2cc(C3CC3)no2)CC12CCC2 ZINC000639198487 1129291767 /nfs/dbraw/zinc/29/17/67/1129291767.db2.gz CPRXZMGTXHJPDB-HNNXBMFYSA-N 0 1 260.381 3.563 20 0 CHADMN CCSc1cccc(CNCc2cccc(F)c2N)c1 ZINC000639201705 1129292442 /nfs/dbraw/zinc/29/24/42/1129292442.db2.gz ZFWQFJOCQJUXLG-UHFFFAOYSA-N 0 1 290.407 3.810 20 0 CHADMN CCCN(Cc1nonc1C)[C@H](CC)c1ccccc1 ZINC000734147189 1129297376 /nfs/dbraw/zinc/29/73/76/1129297376.db2.gz MRILMMRWIUEXBY-MRXNPFEDSA-N 0 1 273.380 3.741 20 0 CHADMN Cc1ccccc1C1(N[C@H](c2nccn2C)C2CC2)CCC1 ZINC000639290954 1129300096 /nfs/dbraw/zinc/30/00/96/1129300096.db2.gz YFEPKMIKQLRGKO-KRWDZBQOSA-N 0 1 295.430 3.849 20 0 CHADMN CCCCCC(C)(C)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795453640 1129301409 /nfs/dbraw/zinc/30/14/09/1129301409.db2.gz OJVOGLBRTIWEGX-UHFFFAOYSA-N 0 1 281.400 3.578 20 0 CHADMN CCCCCC(C)(C)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795453640 1129301411 /nfs/dbraw/zinc/30/14/11/1129301411.db2.gz OJVOGLBRTIWEGX-UHFFFAOYSA-N 0 1 281.400 3.578 20 0 CHADMN FC(F)c1ccc(CN2CC(c3ccccc3)C2)cn1 ZINC000639361531 1129306526 /nfs/dbraw/zinc/30/65/26/1129306526.db2.gz GOGRRGLTHVDHFT-UHFFFAOYSA-N 0 1 274.314 3.619 20 0 CHADMN FC(F)(F)c1ccc2c(c1)CN(CCC[C@@H]1CCO1)CC2 ZINC000639358605 1129306840 /nfs/dbraw/zinc/30/68/40/1129306840.db2.gz NIFFVHOHIOQRGP-OAHLLOKOSA-N 0 1 299.336 3.633 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1ccc2c(n1)CCC2 ZINC000639390028 1129309957 /nfs/dbraw/zinc/30/99/57/1129309957.db2.gz VWIOIRQUHBKHLY-CQSZACIVSA-N 0 1 266.388 3.730 20 0 CHADMN CC(C)c1cccc(NC(=O)c2cc(C(F)F)n[nH]2)c1 ZINC000639466354 1129317621 /nfs/dbraw/zinc/31/76/21/1129317621.db2.gz SQMLGYDIDGMKAO-UHFFFAOYSA-N 0 1 279.290 3.723 20 0 CHADMN COc1cccc(C2(NCc3c(C)cc(C)nc3C)CC2)c1 ZINC000639567979 1129324319 /nfs/dbraw/zinc/32/43/19/1129324319.db2.gz XEQUQAHWHWXXFS-UHFFFAOYSA-N 0 1 296.414 3.794 20 0 CHADMN CC1=CCCN(CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000639624347 1129326869 /nfs/dbraw/zinc/32/68/69/1129326869.db2.gz PONFTXUSVRZRTH-BETUJISGSA-N 0 1 289.341 3.576 20 0 CHADMN Clc1cnccc1C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639697124 1129329761 /nfs/dbraw/zinc/32/97/61/1129329761.db2.gz XBZBDMXDOIFWRB-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN Clc1cnccc1CN1CCC[C@@H](c2cccnc2)C1 ZINC000639697124 1129329766 /nfs/dbraw/zinc/32/97/66/1129329766.db2.gz XBZBDMXDOIFWRB-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN CC(C)n1ccc(CN(CCc2ccccc2)C2CC2)n1 ZINC000735078332 1129330928 /nfs/dbraw/zinc/33/09/28/1129330928.db2.gz IZYRHOXIJDHRAT-UHFFFAOYSA-N 0 1 283.419 3.671 20 0 CHADMN COc1ccc(C[C@H](C)NCc2ncc(Cl)s2)cc1 ZINC000719428188 1129332468 /nfs/dbraw/zinc/33/24/68/1129332468.db2.gz BLFCZUDQRMTMGV-JTQLQIEISA-N 0 1 296.823 3.526 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)c2ccccc2n1 ZINC000639780727 1129333608 /nfs/dbraw/zinc/33/36/08/1129333608.db2.gz GORAMNXZOYHWGE-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN CN(Cc1cc(Cl)cc(Cl)c1F)CC1(C)COC1 ZINC000639889971 1129339004 /nfs/dbraw/zinc/33/90/04/1129339004.db2.gz MIPAXDCNJWLXCB-UHFFFAOYSA-N 0 1 292.181 3.601 20 0 CHADMN Cc1n[nH]cc1CN(C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000639969289 1129342830 /nfs/dbraw/zinc/34/28/30/1129342830.db2.gz YYOBURINXAUPQH-SNVBAGLBSA-N 0 1 281.762 3.704 20 0 CHADMN CC(C)(C)C1CCN(Cn2cnc(-c3ccccc3)n2)CC1 ZINC000735486358 1129347054 /nfs/dbraw/zinc/34/70/54/1129347054.db2.gz VDCAJZDTJQWHEM-UHFFFAOYSA-N 0 1 298.434 3.661 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC[C@@H](C3CCC3)CC2)o1 ZINC000640105717 1129348350 /nfs/dbraw/zinc/34/83/50/1129348350.db2.gz IHBTWGUEZNDBDM-TZMCWYRMSA-N 0 1 277.412 3.595 20 0 CHADMN Cc1cc(-c2cncc(C(F)(F)F)c2)cc2nc[nH]c21 ZINC001240791203 1129356517 /nfs/dbraw/zinc/35/65/17/1129356517.db2.gz OHYSFDWVSFFWHX-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN CC(C)c1cnc(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)o1 ZINC000735872015 1129359747 /nfs/dbraw/zinc/35/97/47/1129359747.db2.gz TWUADXDDIAYVSF-RDBSUJKOSA-N 0 1 262.397 3.951 20 0 CHADMN Cc1ccc(C)c(COC(=O)c2c(F)cc(O)cc2F)c1 ZINC000735949377 1129361168 /nfs/dbraw/zinc/36/11/68/1129361168.db2.gz DTZIFXAEXUAREK-UHFFFAOYSA-N 0 1 292.281 3.644 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@@H]2CCCc3cccnc32)s1 ZINC000091661260 1129367440 /nfs/dbraw/zinc/36/74/40/1129367440.db2.gz XPAFVHKJAUCADV-BXUZGUMPSA-N 0 1 287.432 3.883 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@H]2CCCc3cccnc32)s1 ZINC000091661262 1129367762 /nfs/dbraw/zinc/36/77/62/1129367762.db2.gz XPAFVHKJAUCADV-RISCZKNCSA-N 0 1 287.432 3.883 20 0 CHADMN Cc1ccc(C)c(CNCc2nc3cc(F)ccc3n2C)c1 ZINC000736355192 1129373094 /nfs/dbraw/zinc/37/30/94/1129373094.db2.gz HFCCFAOMRJIAAA-UHFFFAOYSA-N 0 1 297.377 3.619 20 0 CHADMN C[C@H](Cn1cc([C@@H](N)c2ccccc2)nn1)C1CCCCC1 ZINC000641121146 1129374446 /nfs/dbraw/zinc/37/44/46/1129374446.db2.gz FGTKSKJGQZHPDT-KDOFPFPSSA-N 0 1 298.434 3.543 20 0 CHADMN O[C@@H](C[C@H]1CCCN1Cc1ccc(Cl)o1)c1ccco1 ZINC000091957529 1129376076 /nfs/dbraw/zinc/37/60/76/1129376076.db2.gz PCEKOULADHXRFI-YPMHNXCESA-N 0 1 295.766 3.614 20 0 CHADMN c1cc(CSc2n[nH]c(CCC3CCCC3)n2)sn1 ZINC000641440373 1129381447 /nfs/dbraw/zinc/38/14/47/1129381447.db2.gz VDLLIMLCOHEERU-UHFFFAOYSA-N 0 1 294.449 3.676 20 0 CHADMN c1cc(CSc2nc(CCC3CCCC3)n[nH]2)sn1 ZINC000641440373 1129381452 /nfs/dbraw/zinc/38/14/52/1129381452.db2.gz VDLLIMLCOHEERU-UHFFFAOYSA-N 0 1 294.449 3.676 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@H](C)c1ccc2c(c1)CCO2 ZINC000092327222 1129386624 /nfs/dbraw/zinc/38/66/24/1129386624.db2.gz HVSXSNRTUIXBRC-MNOVXSKESA-N 0 1 286.375 3.638 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H](C)N(Cn2cc(Cl)cn2)C1 ZINC000738054971 1129390210 /nfs/dbraw/zinc/39/02/10/1129390210.db2.gz ROYYTVDVZNAOMH-UONOGXRCSA-N 0 1 289.810 3.680 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(F)c(F)c2F)cc1F ZINC001240993055 1129394005 /nfs/dbraw/zinc/39/40/05/1129394005.db2.gz ADMBTZDMEPJVAH-UHFFFAOYSA-N 0 1 283.268 3.972 20 0 CHADMN CCCC[C@@H](C)N(C)C(=O)c1ccc(CN(CC)CC)o1 ZINC000641852010 1129394970 /nfs/dbraw/zinc/39/49/70/1129394970.db2.gz NAOVMGNQZHSDET-CQSZACIVSA-N 0 1 294.439 3.772 20 0 CHADMN CCCc1cc(C(=O)N(C)[C@@H](C)c2cc(C)ccc2C)n[nH]1 ZINC000642046838 1129402640 /nfs/dbraw/zinc/40/26/40/1129402640.db2.gz MDKWFVZKEOUPBL-AWEZNQCLSA-N 0 1 299.418 3.812 20 0 CHADMN CC(C)N(Cc1nc(-c2cccc(Cl)c2)no1)C1CC1 ZINC000642094041 1129405510 /nfs/dbraw/zinc/40/55/10/1129405510.db2.gz YJOXXDXFICBJTI-UHFFFAOYSA-N 0 1 291.782 3.763 20 0 CHADMN CCC[C@H](C(=O)NOCc1ccccc1)c1ccccc1 ZINC000248232644 1129410943 /nfs/dbraw/zinc/41/09/43/1129410943.db2.gz LGYVFAFMFXIIHZ-KRWDZBQOSA-N 0 1 283.371 3.818 20 0 CHADMN CC[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(C)cc2F)C1 ZINC000642330310 1129414522 /nfs/dbraw/zinc/41/45/22/1129414522.db2.gz WNKRBKCLRZHNLW-KGLIPLIRSA-N 0 1 292.398 3.583 20 0 CHADMN C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000248487446 1129419643 /nfs/dbraw/zinc/41/96/43/1129419643.db2.gz GCHSUZTZVOOXII-NOHGZBONSA-N 0 1 283.799 3.652 20 0 CHADMN CC[C@@H](NCc1noc(-c2cccs2)n1)[C@H]1CC1(C)C ZINC000642718178 1129424697 /nfs/dbraw/zinc/42/46/97/1129424697.db2.gz OSPRXWGXFBPCFZ-GHMZBOCLSA-N 0 1 291.420 3.712 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H]2C[C@@H](OC(C)C)C2(C)C)s1 ZINC000248704501 1129426189 /nfs/dbraw/zinc/42/61/89/1129426189.db2.gz AQHRLERGANXLEA-YNEHKIRRSA-N 0 1 282.453 3.694 20 0 CHADMN Cc1cc(COC(=O)[C@H](C(C)C)N2CCCC2)c(C)s1 ZINC000741016411 1129426374 /nfs/dbraw/zinc/42/63/74/1129426374.db2.gz ILKWYQAKMNEXET-HNNXBMFYSA-N 0 1 295.448 3.529 20 0 CHADMN Cc1cc(COC(=O)[C@@H](C)N2CCCCCC2)c(C)s1 ZINC000741031793 1129426388 /nfs/dbraw/zinc/42/63/88/1129426388.db2.gz XXNKOPQXPVDRGS-CYBMUJFWSA-N 0 1 295.448 3.673 20 0 CHADMN C[C@H](C(=O)O[C@@H](C)c1cccc(F)c1)N1[C@H](C)CC[C@@H]1C ZINC000741020657 1129426523 /nfs/dbraw/zinc/42/65/23/1129426523.db2.gz LKPUMRXCWIHGTM-RQJABVFESA-N 0 1 293.382 3.691 20 0 CHADMN C[C@H](C(=O)OCc1ccc(Cl)cc1)N1[C@H](C)CC[C@@H]1C ZINC000741024229 1129426616 /nfs/dbraw/zinc/42/66/16/1129426616.db2.gz RZJWWPYEFVCHIZ-FRRDWIJNSA-N 0 1 295.810 3.645 20 0 CHADMN Cc1cc(C)cc(COC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)c1 ZINC000741017694 1129426680 /nfs/dbraw/zinc/42/66/80/1129426680.db2.gz QIQSVYUSUXOWMH-OAGGEKHMSA-N 0 1 289.419 3.608 20 0 CHADMN CC[C@H](C(=O)OCc1ccc(SC)cc1)N(CC)CC ZINC000741032972 1129426765 /nfs/dbraw/zinc/42/67/65/1129426765.db2.gz OGZJPRFOZDYRJB-OAHLLOKOSA-N 0 1 295.448 3.572 20 0 CHADMN Cc1cccc(C)c1COC(=O)[C@@H](C)N1CCCCCC1 ZINC000741025764 1129426798 /nfs/dbraw/zinc/42/67/98/1129426798.db2.gz IRDIYQNDSVPVTM-MRXNPFEDSA-N 0 1 289.419 3.611 20 0 CHADMN C[C@@H](OC(=O)[C@H](C)N1CCCCCC1)c1ccccc1F ZINC000741028283 1129427694 /nfs/dbraw/zinc/42/76/94/1129427694.db2.gz DZKMWSHPGMFUOX-UONOGXRCSA-N 0 1 293.382 3.694 20 0 CHADMN O[C@H](CN(Cc1ccoc1)Cc1ccccc1)c1ccco1 ZINC000093866866 1129428734 /nfs/dbraw/zinc/42/87/34/1129428734.db2.gz QIHXXUNFIDOYNV-QGZVFWFLSA-N 0 1 297.354 3.608 20 0 CHADMN C[C@H]1CC[C@@H](c2ccccc2)N(Cn2cc[nH]c2=S)C1 ZINC000795704223 1129432245 /nfs/dbraw/zinc/43/22/45/1129432245.db2.gz OKKJOUWFXFYAJB-ZFWWWQNUSA-N 0 1 287.432 3.603 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@@H](C)c1ccccc1Cl ZINC000179951896 1129438405 /nfs/dbraw/zinc/43/84/05/1129438405.db2.gz JLXUDPIZYDMCHM-UWVGGRQHSA-N 0 1 263.772 3.783 20 0 CHADMN Cc1cnc(=S)n(C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2)c1 ZINC000795748884 1129446238 /nfs/dbraw/zinc/44/62/38/1129446238.db2.gz ZPCWDGXYGIYUBU-CZUORRHYSA-N 0 1 299.443 3.962 20 0 CHADMN Clc1ccc(-c2cnc([C@@H]3CCCCN3)nc2)cc1 ZINC000094576876 1129447639 /nfs/dbraw/zinc/44/76/39/1129447639.db2.gz MIIQKRSDOKUIJR-AWEZNQCLSA-N 0 1 273.767 3.612 20 0 CHADMN Cc1cc(CNc2nccn2Cc2ccccc2)c(C)o1 ZINC000795804274 1129448906 /nfs/dbraw/zinc/44/89/06/1129448906.db2.gz VDFUBOPUXNZFRX-UHFFFAOYSA-N 0 1 281.359 3.753 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@H]1CCSc2c(F)cccc21 ZINC000180101258 1129450073 /nfs/dbraw/zinc/45/00/73/1129450073.db2.gz NZFRWBJHTISSDX-XPTSAGLGSA-N 0 1 291.395 3.745 20 0 CHADMN CCSc1cccc(F)c1NC(=O)c1nccs1 ZINC000643855390 1129451651 /nfs/dbraw/zinc/45/16/51/1129451651.db2.gz FDQOTYOAONISCJ-UHFFFAOYSA-N 0 1 282.365 3.647 20 0 CHADMN Cc1ccccc1[C@@H](O)CN(C)Cc1ccccc1Cl ZINC000741775580 1129451773 /nfs/dbraw/zinc/45/17/73/1129451773.db2.gz USYPMQXBHWWKLP-KRWDZBQOSA-N 0 1 289.806 3.814 20 0 CHADMN CN(CCC1CCCC1)Cc1ccn(-c2ccccc2)n1 ZINC000741777289 1129452243 /nfs/dbraw/zinc/45/22/43/1129452243.db2.gz LQPINOAAJMZZNB-UHFFFAOYSA-N 0 1 283.419 3.884 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1ccc2[nH]ccc2c1 ZINC000643889352 1129453151 /nfs/dbraw/zinc/45/31/51/1129453151.db2.gz XMBNYJDVEBHFOO-ZDUSSCGKSA-N 0 1 265.360 3.756 20 0 CHADMN CN(C)Cc1ccc(-c2cc(F)c(F)cc2F)cc1F ZINC001241112621 1129453171 /nfs/dbraw/zinc/45/31/71/1129453171.db2.gz VNMNIHDRBMGIBV-UHFFFAOYSA-N 0 1 283.268 3.972 20 0 CHADMN [O-]c1cccc2c(N3CCC(C4CC4)CC3)cc[nH+]c12 ZINC000644136507 1129459284 /nfs/dbraw/zinc/45/92/84/1129459284.db2.gz MLDILDBPCYFDBU-UHFFFAOYSA-N 0 1 268.360 3.567 20 0 CHADMN Cc1occc1CNCc1ccc2c(c1)CCCC2 ZINC000644378143 1129465024 /nfs/dbraw/zinc/46/50/24/1129465024.db2.gz UXJVQDZEHIKDCL-UHFFFAOYSA-N 0 1 255.361 3.757 20 0 CHADMN Fc1cc(C2CC2)ccc1CNCc1[nH]nc2ccccc21 ZINC000644406673 1129465817 /nfs/dbraw/zinc/46/58/17/1129465817.db2.gz VLKVUBMSXLFGDE-UHFFFAOYSA-N 0 1 295.361 3.869 20 0 CHADMN CN(C/C=C/Cl)Cc1ccc(OCC(F)(F)F)cc1 ZINC000796105946 1129466604 /nfs/dbraw/zinc/46/66/04/1129466604.db2.gz FJKXABZVXWNSFW-FARCUNLSSA-N 0 1 293.716 3.812 20 0 CHADMN ClC1(Cl)C[C@@H]1CN1CCC=C(c2ccco2)C1 ZINC000796121475 1129467967 /nfs/dbraw/zinc/46/79/67/1129467967.db2.gz AHOHSLYDWSCMFV-LLVKDONJSA-N 0 1 272.175 3.563 20 0 CHADMN CCOc1ccccc1[C@@H](CC)N[C@@H](C)c1c[nH]nc1C ZINC000180386210 1129471767 /nfs/dbraw/zinc/47/17/67/1129471767.db2.gz BVBUPYBNYWYGJF-BLLLJJGKSA-N 0 1 287.407 3.919 20 0 CHADMN FC(F)(F)c1ccccc1-c1nccc2c1CCN2 ZINC001239542787 1131376777 /nfs/dbraw/zinc/37/67/77/1131376777.db2.gz CSGPHEKKULCNAV-UHFFFAOYSA-N 0 1 264.250 3.735 20 0 CHADMN Cc1sccc1CN[C@@H]1COc2c1cccc2Cl ZINC000645161826 1129489185 /nfs/dbraw/zinc/48/91/85/1129489185.db2.gz WGWPQBMCSBIPGG-CYBMUJFWSA-N 0 1 279.792 3.933 20 0 CHADMN COc1cccc2c1OCC[C@H]2NCc1ccsc1C ZINC000645155829 1129489429 /nfs/dbraw/zinc/48/94/29/1129489429.db2.gz SYAOZIHQDHIKLB-CQSZACIVSA-N 0 1 289.400 3.679 20 0 CHADMN CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc([O-])c2Cl)C1(C)C ZINC000645171840 1129490209 /nfs/dbraw/zinc/49/02/09/1129490209.db2.gz RZWGPWIXPVTKOW-ZIAGYGMSSA-N 0 1 297.826 3.727 20 0 CHADMN CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000645172267 1129490497 /nfs/dbraw/zinc/49/04/97/1129490497.db2.gz FQCHAMRXOVYEQK-UKRRQHHQSA-N 0 1 297.826 3.729 20 0 CHADMN CCCCCC[C@](C)(CC)C(=O)N[C@H]1CCCN(C)C1 ZINC000742641063 1129492727 /nfs/dbraw/zinc/49/27/27/1129492727.db2.gz ZICBXPPIKDOVGF-RDJZCZTQSA-N 0 1 282.472 3.584 20 0 CHADMN CC[C@H](N[C@H](C)c1c[nH]nc1C)c1ccc(F)cc1F ZINC000180581428 1129494670 /nfs/dbraw/zinc/49/46/70/1129494670.db2.gz UVZXVLQHNUMNTG-PSLIRLAXSA-N 0 1 279.334 3.798 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@@H]1CCS[C@@H]1C ZINC000645399816 1129496764 /nfs/dbraw/zinc/49/67/64/1129496764.db2.gz VLJUQQGGQRKFPW-BXKDBHETSA-N 0 1 292.379 3.688 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@H]1CCS[C@H]1C ZINC000645399817 1129496847 /nfs/dbraw/zinc/49/68/47/1129496847.db2.gz VLJUQQGGQRKFPW-CABZTGNLSA-N 0 1 292.379 3.688 20 0 CHADMN c1nn(-c2ccncc2)cc1N[C@@H]1CCCC12CCCC2 ZINC000645450537 1129497994 /nfs/dbraw/zinc/49/79/94/1129497994.db2.gz RLUMYVFGOQCNFQ-MRXNPFEDSA-N 0 1 282.391 3.792 20 0 CHADMN Cc1cc2[nH]cnc2cc1-c1c(F)ccc(O)c1F ZINC001241293395 1129508399 /nfs/dbraw/zinc/50/83/99/1129508399.db2.gz VKKOSKCNGJDDLO-UHFFFAOYSA-N 0 1 260.243 3.522 20 0 CHADMN Cc1cccc(NC(=O)CNC2(c3ccccc3C)CC2)c1 ZINC000645979392 1129515558 /nfs/dbraw/zinc/51/55/58/1129515558.db2.gz CGWDIOWOYRCUSH-UHFFFAOYSA-N 0 1 294.398 3.521 20 0 CHADMN CCc1noc(C)c1CNC1(c2cccc(F)c2)CCC1 ZINC000646002997 1129517270 /nfs/dbraw/zinc/51/72/70/1129517270.db2.gz MVHWJDCNLGJEFJ-UHFFFAOYSA-N 0 1 288.366 3.854 20 0 CHADMN Cc1cc(CN2CCC[C@@]2(C)Cc2ccccc2F)no1 ZINC000646013674 1129517570 /nfs/dbraw/zinc/51/75/70/1129517570.db2.gz NUCQANTVEYHSQI-KRWDZBQOSA-N 0 1 288.366 3.719 20 0 CHADMN C[C@@H](C(=O)Nc1ccc(F)cc1F)N(C)CCC(C)(C)C ZINC000646027549 1129517782 /nfs/dbraw/zinc/51/77/82/1129517782.db2.gz OOAVEBDGKQROHU-NSHDSACASA-N 0 1 298.377 3.660 20 0 CHADMN CCOc1ccc(CNC2(c3cccc(C)c3)CCC2)nc1 ZINC000646021636 1129518014 /nfs/dbraw/zinc/51/80/14/1129518014.db2.gz QQCCGBICKALRPX-UHFFFAOYSA-N 0 1 296.414 3.958 20 0 CHADMN Fc1ccccc1C1(NCCC(F)(F)F)CCC1 ZINC000646024769 1129518527 /nfs/dbraw/zinc/51/85/27/1129518527.db2.gz MKYVJEALDTWPTI-UHFFFAOYSA-N 0 1 261.262 3.747 20 0 CHADMN Cc1ccc(-c2nnc(CN(C)CCC(C)(C)C)o2)cc1 ZINC000646027369 1129518917 /nfs/dbraw/zinc/51/89/17/1129518917.db2.gz GPTMCVPDOOHEFE-UHFFFAOYSA-N 0 1 287.407 3.913 20 0 CHADMN CCC[C@@H]1CC(=O)N(CN2CCC3(CCCCC3)CC2)C1 ZINC000743359527 1129520549 /nfs/dbraw/zinc/52/05/49/1129520549.db2.gz HTOIEBLKOKRMBE-MRXNPFEDSA-N 0 1 292.467 3.639 20 0 CHADMN CC[C@H](C)CN(C)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743363047 1129520674 /nfs/dbraw/zinc/52/06/74/1129520674.db2.gz GIOUHWRDXKQJSC-SWLSCSKDSA-N 0 1 294.826 3.549 20 0 CHADMN CCN(CC(C)C)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743353041 1129520763 /nfs/dbraw/zinc/52/07/63/1129520763.db2.gz SITVFJNRPXRHFN-HNNXBMFYSA-N 0 1 294.826 3.549 20 0 CHADMN Cc1c(CN2CC3(CC=CC3)[C@H]2c2ccccc2)cnn1C ZINC000646117669 1129524009 /nfs/dbraw/zinc/52/40/09/1129524009.db2.gz LVWKKDLTGDGWMS-GOSISDBHSA-N 0 1 293.414 3.622 20 0 CHADMN C(c1nc(C2CCCC2)no1)N1CCCC[C@@H]1C1CCC1 ZINC000646139308 1129526076 /nfs/dbraw/zinc/52/60/76/1129526076.db2.gz NCWCKKUOLKUQNU-OAHLLOKOSA-N 0 1 289.423 3.882 20 0 CHADMN COCc1ccccc1/C=C(/C)CN1CC[C@H](C)[C@@H](F)C1 ZINC000646153390 1129526899 /nfs/dbraw/zinc/52/68/99/1129526899.db2.gz WVJWSNPNZWRRBH-IWJGPTOESA-N 0 1 291.410 3.916 20 0 CHADMN C1CCC(c2noc([C@@H]3CC[C@H]4CCCC[C@H]4N3)n2)C1 ZINC000251386450 1129528017 /nfs/dbraw/zinc/52/80/17/1129528017.db2.gz QQAJMKXDEODAFA-BNOWGMLFSA-N 0 1 275.396 3.711 20 0 CHADMN CC(C)[C@H]1N(Cc2c[nH]c(-c3ccccc3)n2)CC1(C)C ZINC000646221088 1129529721 /nfs/dbraw/zinc/52/97/21/1129529721.db2.gz KZIVRGOFMGBQIW-MRXNPFEDSA-N 0 1 283.419 3.943 20 0 CHADMN C[C@@H](Cc1cccs1)Nc1cc2c(cn1)CCC2 ZINC000646282190 1129530711 /nfs/dbraw/zinc/53/07/11/1129530711.db2.gz ILKFMOLPRLROFP-NSHDSACASA-N 0 1 258.390 3.675 20 0 CHADMN c1ccc2cc(CN3C[C@]4(CCCO4)[C@H]3C3CC3)ccc2c1 ZINC000646295321 1129531663 /nfs/dbraw/zinc/53/16/63/1129531663.db2.gz MSYSQEXCKOXYBS-WOJBJXKFSA-N 0 1 293.410 3.983 20 0 CHADMN O=C(Nc1c(=O)[nH][nH]c1-c1ccccc1)C1CCCCCC1 ZINC000646463059 1129537915 /nfs/dbraw/zinc/53/79/15/1129537915.db2.gz SMRKMSRPDBQKKB-UHFFFAOYSA-N 0 1 299.374 3.691 20 0 CHADMN CC[C@]1(C)CCCN(Cc2cccnc2Cl)C1 ZINC000743860309 1129541417 /nfs/dbraw/zinc/54/14/17/1129541417.db2.gz AQCZUTFWJYSWSE-CQSZACIVSA-N 0 1 252.789 3.747 20 0 CHADMN CC(=CC(=O)Nc1ccc2nc[nH]c2c1)c1ccc(F)cc1 ZINC000743937900 1129544352 /nfs/dbraw/zinc/54/43/52/1129544352.db2.gz YJHKKKHAYCLFLJ-DHZHZOJOSA-N 0 1 295.317 3.744 20 0 CHADMN C1=C(c2ccc(-c3nc([C@H]4CCCN4)no3)cc2)CCC1 ZINC000647145553 1129551865 /nfs/dbraw/zinc/55/18/65/1129551865.db2.gz ZGEXEEMCWLBOBM-OAHLLOKOSA-N 0 1 281.359 3.728 20 0 CHADMN C/C(=C/c1cccc(Cl)c1)c1nc([C@@H]2CCCN2)no1 ZINC000647147639 1129551904 /nfs/dbraw/zinc/55/19/04/1129551904.db2.gz WQKLLLNROJNTIX-KJJQSCHISA-N 0 1 289.766 3.708 20 0 CHADMN C(=C/c1ccc(C2CC2)cc1)\c1nc([C@@H]2CCCN2)no1 ZINC000647144287 1129552241 /nfs/dbraw/zinc/55/22/41/1129552241.db2.gz SVSBABFQXXCTTJ-RNOHYWCBSA-N 0 1 281.359 3.542 20 0 CHADMN CC(C)c1ccc(-c2nc([C@@H]3CCCN3)no2)cc1Cl ZINC000647146357 1129552418 /nfs/dbraw/zinc/55/24/18/1129552418.db2.gz TUHBGKDRTGCFDT-ZDUSSCGKSA-N 0 1 291.782 3.938 20 0 CHADMN COc1ccccc1C1(NCc2ccc(C)c(OC)c2)CC1 ZINC000647233170 1129558800 /nfs/dbraw/zinc/55/88/00/1129558800.db2.gz YDIDDRNLVVJJMN-UHFFFAOYSA-N 0 1 297.398 3.791 20 0 CHADMN CC(C)n1cc(CNC2(c3cccc(F)c3)CCC2)cn1 ZINC000647233455 1129558899 /nfs/dbraw/zinc/55/88/99/1129558899.db2.gz UYXOQPPVPOCTFB-UHFFFAOYSA-N 0 1 287.382 3.772 20 0 CHADMN Oc1cccc(CNC2(c3cccc(F)c3)CCC2)c1 ZINC000647233443 1129559108 /nfs/dbraw/zinc/55/91/08/1129559108.db2.gz UFMWODSELSDEAI-UHFFFAOYSA-N 0 1 271.335 3.700 20 0 CHADMN OCC[C@@H](NCc1ccccc1C1CC1)c1ccccc1F ZINC000647249899 1129560380 /nfs/dbraw/zinc/56/03/80/1129560380.db2.gz UHZCKMKJZCOPOI-LJQANCHMSA-N 0 1 299.389 3.916 20 0 CHADMN Cc1cccc2c1CC[C@@H]2N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647293074 1129564772 /nfs/dbraw/zinc/56/47/72/1129564772.db2.gz RYASNOLWVJKDQQ-KDOFPFPSSA-N 0 1 295.430 3.866 20 0 CHADMN Cc1csc(C(C)(C)NC[C@@]2(C)CC2(Cl)Cl)n1 ZINC000828310278 1131382458 /nfs/dbraw/zinc/38/24/58/1131382458.db2.gz BKGGOXHWXJNPAU-LLVKDONJSA-N 0 1 293.263 3.860 20 0 CHADMN CSc1ccc2c(c1)[C@H](NCc1cc(C)ncn1)CCC2 ZINC000647295294 1129565600 /nfs/dbraw/zinc/56/56/00/1129565600.db2.gz GODVXCTVZKIAHM-QGZVFWFLSA-N 0 1 299.443 3.674 20 0 CHADMN CSc1ccc2c(c1)[C@@H](NCc1cnc(C)o1)CCC2 ZINC000647306548 1129566780 /nfs/dbraw/zinc/56/67/80/1129566780.db2.gz AHBKNEISIALHDJ-INIZCTEOSA-N 0 1 288.416 3.872 20 0 CHADMN C[C@H](CN[C@H](c1ncc[nH]1)c1ccc(F)cc1)CC(F)F ZINC000647319134 1129567461 /nfs/dbraw/zinc/56/74/61/1129567461.db2.gz NCAWTAZPODHBCP-HZMBPMFUSA-N 0 1 297.324 3.519 20 0 CHADMN COc1ccccc1C1(N[C@@H](C)c2cncc(C)c2)CC1 ZINC000647329396 1129568825 /nfs/dbraw/zinc/56/88/25/1129568825.db2.gz NZRPRLVCYHAUAA-AWEZNQCLSA-N 0 1 282.387 3.739 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccccc1F)c1cccc(F)c1 ZINC000647346246 1129571907 /nfs/dbraw/zinc/57/19/07/1129571907.db2.gz SVHCHYMOAVRMSN-YVEFUNNKSA-N 0 1 291.341 3.739 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccccc1F)c1ccccc1 ZINC000647344867 1129572209 /nfs/dbraw/zinc/57/22/09/1129572209.db2.gz AMEOIGJQGMHFMA-CXAGYDPISA-N 0 1 273.351 3.600 20 0 CHADMN C[C@H](NC1(c2cccc(Cl)c2)CCC1)c1ccnn1C ZINC000647348917 1129573533 /nfs/dbraw/zinc/57/35/33/1129573533.db2.gz HKGQGYRVOJQMNG-LBPRGKRZSA-N 0 1 289.810 3.804 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1Cn1ccn(C(C)C)c1=S ZINC000744442092 1129578131 /nfs/dbraw/zinc/57/81/31/1129578131.db2.gz WYKZVOHPWLOXNT-OLZOCXBDSA-N 0 1 267.442 3.678 20 0 CHADMN c1nc(CN2CCC[C@@H](CCc3ccccc3)C2)cs1 ZINC001137599175 1131383427 /nfs/dbraw/zinc/38/34/27/1131383427.db2.gz FPVFRBCFTAFCAD-INIZCTEOSA-N 0 1 286.444 3.988 20 0 CHADMN CCC1CCC(N(Cc2coc(C)n2)C2CC2)CC1 ZINC000647959893 1129589403 /nfs/dbraw/zinc/58/94/03/1129589403.db2.gz TUKFUSMOQDSOEK-UHFFFAOYSA-N 0 1 262.397 3.916 20 0 CHADMN COc1ncncc1CN1CCCCC[C@H]1c1ccccc1 ZINC000648003080 1129591960 /nfs/dbraw/zinc/59/19/60/1129591960.db2.gz GNXLFTCCKJZRSK-KRWDZBQOSA-N 0 1 297.402 3.603 20 0 CHADMN CC[C@H](C(=O)O[C@H](C)c1cc(F)ccc1F)N(CC)CC ZINC000745091180 1129594521 /nfs/dbraw/zinc/59/45/21/1129594521.db2.gz LFNSZLBLRAATCR-IAQYHMDHSA-N 0 1 299.361 3.689 20 0 CHADMN CC1(CC(F)F)CN(Cc2ccc(OC(F)F)cc2)C1 ZINC000648058472 1129595271 /nfs/dbraw/zinc/59/52/71/1129595271.db2.gz MHSSKJRFNDYMAU-UHFFFAOYSA-N 0 1 291.288 3.765 20 0 CHADMN CC(C)[C@@H]1N(Cc2cn(C)nc2C(F)F)CC12CC=CC2 ZINC000648073028 1129596945 /nfs/dbraw/zinc/59/69/45/1129596945.db2.gz ZPFCNXHHWBURFB-AWEZNQCLSA-N 0 1 295.377 3.534 20 0 CHADMN C[C@H](NCc1ccc(Cl)cn1)c1cccc(F)c1 ZINC000182129876 1129597138 /nfs/dbraw/zinc/59/71/38/1129597138.db2.gz UCHWJGADFQMOBB-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN C[C@H](C[N@H+]1CCCOC(C)(C)C1)c1cc(F)cc(F)c1 ZINC000648375853 1129604344 /nfs/dbraw/zinc/60/43/44/1129604344.db2.gz YNKIWUMCRROOFO-GFCCVEGCSA-N 0 1 283.362 3.569 20 0 CHADMN CO[C@@]1(C(F)(F)F)CCCN(Cc2csc(C)c2)C1 ZINC000648535662 1129612335 /nfs/dbraw/zinc/61/23/35/1129612335.db2.gz ICHUKJHLRGPBGD-LBPRGKRZSA-N 0 1 293.354 3.600 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N(C)CCC(C)(C)C)o1 ZINC000648543468 1129612748 /nfs/dbraw/zinc/61/27/48/1129612748.db2.gz NWMIPCGNELTSNG-UHFFFAOYSA-N 0 1 294.439 3.630 20 0 CHADMN CCC[C@H](OC)c1noc([C@@H]2CC[C@H]3CCCC[C@@H]3N2)n1 ZINC000253170531 1129616971 /nfs/dbraw/zinc/61/69/71/1129616971.db2.gz GUWMDGVKVAZJMT-RFGFWPKPSA-N 0 1 293.411 3.541 20 0 CHADMN CC[C@@](C)(CNCc1coc(-c2ccc(C)cc2)n1)OC ZINC000648726713 1129623845 /nfs/dbraw/zinc/62/38/45/1129623845.db2.gz UUZUVAOXEQYQJL-KRWDZBQOSA-N 0 1 288.391 3.555 20 0 CHADMN Cc1cccc([C@@H](C)NCc2nc3c(s2)CCC3)c1 ZINC000648867053 1129628659 /nfs/dbraw/zinc/62/86/59/1129628659.db2.gz SEAVGEIZAWABTK-GFCCVEGCSA-N 0 1 272.417 3.791 20 0 CHADMN COC1(CN[C@H](c2ccco2)c2ccccc2)CCC1 ZINC000184066704 1129630550 /nfs/dbraw/zinc/63/05/50/1129630550.db2.gz NVHWHGROOMJMNK-INIZCTEOSA-N 0 1 271.360 3.528 20 0 CHADMN Fc1cc(Br)cc(CN2CC[C@H]3CCC[C@H]32)c1 ZINC000378718797 1129634683 /nfs/dbraw/zinc/63/46/83/1129634683.db2.gz BAQKLEJTUCIONE-BXUZGUMPSA-N 0 1 298.199 3.963 20 0 CHADMN CCSc1cc(CN[C@H](C)c2cnc(C)s2)ccn1 ZINC000187798300 1129636967 /nfs/dbraw/zinc/63/69/67/1129636967.db2.gz HFAVPQGAPZBXQB-SNVBAGLBSA-N 0 1 293.461 3.809 20 0 CHADMN CC(C)[C@@H](N[C@@H]1CCC12CCCC2)c1nc(C2CC2)no1 ZINC000189165821 1129637917 /nfs/dbraw/zinc/63/79/17/1129637917.db2.gz VGMZISANBVKLQS-ZIAGYGMSSA-N 0 1 289.423 3.957 20 0 CHADMN C[C@@H](c1nc(CCc2ccccc2)no1)N1[C@H](C)CC[C@@H]1C ZINC000191172860 1129640609 /nfs/dbraw/zinc/64/06/09/1129640609.db2.gz KBUARMJOZWUVJX-ZNMIVQPWSA-N 0 1 299.418 3.789 20 0 CHADMN CCC(=O)CCCN1CCc2cc(F)ccc2[C@H]1C ZINC000649319432 1129640823 /nfs/dbraw/zinc/64/08/23/1129640823.db2.gz AFNAYRAMBRLRRD-GFCCVEGCSA-N 0 1 263.356 3.504 20 0 CHADMN CC(C)(C)[C@@H](NCN1CCSC1=O)c1ccc(F)cc1 ZINC000098051594 1129642511 /nfs/dbraw/zinc/64/25/11/1129642511.db2.gz OVYADPALJIDGPF-ZDUSSCGKSA-N 0 1 296.411 3.629 20 0 CHADMN Cc1nc(CNCc2cccc3ncccc23)sc1C ZINC000720508074 1129642919 /nfs/dbraw/zinc/64/29/19/1129642919.db2.gz OSIUCABAWVYQSW-UHFFFAOYSA-N 0 1 283.400 3.598 20 0 CHADMN Cc1cccc(CNCc2ccc(C)c(Cl)c2)n1 ZINC000193735398 1129645747 /nfs/dbraw/zinc/64/57/47/1129645747.db2.gz NMLBSMHRAHOUTK-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN COCc1ccc(-c2ccc(CN(C)C)c(F)c2)cc1F ZINC000649437821 1129648421 /nfs/dbraw/zinc/64/84/21/1129648421.db2.gz GCEUWYIZFZOMGV-UHFFFAOYSA-N 0 1 291.341 3.840 20 0 CHADMN Cc1ccccc1CN(C)Cc1cc(OC(C)C)ccn1 ZINC000649474044 1129651839 /nfs/dbraw/zinc/65/18/39/1129651839.db2.gz NXJWCUNBQNIWEP-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN Cc1ccc(N2N=C3CCCCC[C@@H]3C2=O)c(C)c1 ZINC000100214336 1129653400 /nfs/dbraw/zinc/65/34/00/1129653400.db2.gz FNBKPTMOOVSQOW-ZDUSSCGKSA-N 0 1 256.349 3.586 20 0 CHADMN Cc1ccc(-n2[nH]c3c(c2=O)CCCCC3)c(C)c1 ZINC000100214336 1129653405 /nfs/dbraw/zinc/65/34/05/1129653405.db2.gz FNBKPTMOOVSQOW-ZDUSSCGKSA-N 0 1 256.349 3.586 20 0 CHADMN Cc1nc([C@H](C)NCCOC2CCCCC2)c(C)s1 ZINC000104442617 1129655592 /nfs/dbraw/zinc/65/55/92/1129655592.db2.gz GMBRIHOHFAGNHF-NSHDSACASA-N 0 1 282.453 3.760 20 0 CHADMN Cc1nc2cc(Nc3ccc4cnn(C)c4c3)ccc2[nH]1 ZINC001213073258 1129663667 /nfs/dbraw/zinc/66/36/67/1129663667.db2.gz LIVQRTFGHQFXIO-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1ccccc1CN(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000649621029 1129664017 /nfs/dbraw/zinc/66/40/17/1129664017.db2.gz AMKZGZJEOQHAFE-IBGZPJMESA-N 0 1 296.414 3.571 20 0 CHADMN CC1(C)C[C@@H](c2ccccc2)N(Cc2cc3n(n2)CCC3)C1 ZINC000649632412 1129664071 /nfs/dbraw/zinc/66/40/71/1129664071.db2.gz IYJPSTNIRSVNEG-SFHVURJKSA-N 0 1 295.430 3.803 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cnc(C(F)(F)F)nc2)c1 ZINC000649624130 1129664330 /nfs/dbraw/zinc/66/43/30/1129664330.db2.gz RKKIBYFRIZCPNL-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN Fc1cccc(-n2ccc(CN3CCC34CCCC4)n2)c1 ZINC000649656138 1129666280 /nfs/dbraw/zinc/66/62/80/1129666280.db2.gz APKWHPDYWVAXEP-UHFFFAOYSA-N 0 1 285.366 3.530 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCC12CCCC2 ZINC000649655768 1129666527 /nfs/dbraw/zinc/66/65/27/1129666527.db2.gz OIICPQGWWMNQRI-UHFFFAOYSA-N 0 1 287.403 3.806 20 0 CHADMN Cc1cnc([C@H](C)N2CC[C@@](C)(c3cccc(F)c3)C2)cn1 ZINC000649661618 1129667274 /nfs/dbraw/zinc/66/72/74/1129667274.db2.gz GXSMNAUWAWPYRD-KBXCAEBGSA-N 0 1 299.393 3.649 20 0 CHADMN C[C@]1(c2cccc(F)c2)CCN(Cc2ccncc2F)C1 ZINC000649662075 1129667930 /nfs/dbraw/zinc/66/79/30/1129667930.db2.gz UXKCDHYMYMDXRR-KRWDZBQOSA-N 0 1 288.341 3.523 20 0 CHADMN C[C@@H](c1ccncc1)[N@@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000828524529 1131389669 /nfs/dbraw/zinc/38/96/69/1131389669.db2.gz MFNDPPJFXOEGIN-JQWIXIFHSA-N 0 1 273.207 3.658 20 0 CHADMN C[C@@H](c1ccncc1)N(C)C[C@]1(C)CC1(Cl)Cl ZINC000828524529 1131389674 /nfs/dbraw/zinc/38/96/74/1131389674.db2.gz MFNDPPJFXOEGIN-JQWIXIFHSA-N 0 1 273.207 3.658 20 0 CHADMN CC(C)O[C@@H]1CCCN([C@@H](C)c2cc(F)ccc2F)C1 ZINC000649698960 1129672069 /nfs/dbraw/zinc/67/20/69/1129672069.db2.gz FPXSOIAVIALOSX-GXTWGEPZSA-N 0 1 283.362 3.915 20 0 CHADMN CC(C)O[C@H]1CCCN([C@H](C)c2cc(F)ccc2F)C1 ZINC000649698962 1129672227 /nfs/dbraw/zinc/67/22/27/1129672227.db2.gz FPXSOIAVIALOSX-OCCSQVGLSA-N 0 1 283.362 3.915 20 0 CHADMN Fc1cc2[nH]cnc2cc1NCCCCc1ccccn1 ZINC001168803544 1129673222 /nfs/dbraw/zinc/67/32/22/1129673222.db2.gz RWKGGNBKCRREOA-UHFFFAOYSA-N 0 1 284.338 3.532 20 0 CHADMN c1csc(CN2CCOC[C@H]2C2CCCCC2)c1 ZINC001204016726 1129675851 /nfs/dbraw/zinc/67/58/51/1129675851.db2.gz HSGUFFNRLZXWCN-HNNXBMFYSA-N 0 1 265.422 3.529 20 0 CHADMN Cc1ccc([C@H](C)Nc2ccc3[nH]cnc3c2C)nc1 ZINC001168855438 1129677279 /nfs/dbraw/zinc/67/72/79/1129677279.db2.gz VPFRFGGNNNHJST-LBPRGKRZSA-N 0 1 266.348 3.748 20 0 CHADMN CCO[C@@H](C)c1nc(CNC2(C3CCC3)CC2)cs1 ZINC000649808907 1129679108 /nfs/dbraw/zinc/67/91/08/1129679108.db2.gz VGYQLXXDTRDOML-NSHDSACASA-N 0 1 280.437 3.663 20 0 CHADMN Cc1cc(CN2C[C@H](C)OCC23CCC3)c2ccccc2n1 ZINC000649824172 1129679710 /nfs/dbraw/zinc/67/97/10/1129679710.db2.gz YBMIKSBWDLKTMQ-HNNXBMFYSA-N 0 1 296.414 3.687 20 0 CHADMN Cc1nc2sccc2c(-c2ccc(F)cc2O)n1 ZINC001242216881 1129683399 /nfs/dbraw/zinc/68/33/99/1129683399.db2.gz OGRXLNOQGOMTOZ-UHFFFAOYSA-N 0 1 260.293 3.511 20 0 CHADMN FC(F)(F)c1ccc(C2(NCc3cccnc3)CC2)cc1 ZINC000649886094 1129683687 /nfs/dbraw/zinc/68/36/87/1129683687.db2.gz MLOHQUKHAKPDAR-UHFFFAOYSA-N 0 1 292.304 3.879 20 0 CHADMN FC1(F)C[C@]12CCN(Cc1ccccc1Cl)C2 ZINC000649900138 1129684271 /nfs/dbraw/zinc/68/42/71/1129684271.db2.gz UIDIIPORJQOMMS-LBPRGKRZSA-N 0 1 257.711 3.571 20 0 CHADMN Cc1nc(CN2CCc3ccc(F)cc3[C@H](C)C2)oc1C ZINC000649894764 1129684797 /nfs/dbraw/zinc/68/47/97/1129684797.db2.gz UKFYQQALXUZZKS-LLVKDONJSA-N 0 1 288.366 3.592 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CC[C@]2(CC2(F)F)C1 ZINC000649903726 1129685091 /nfs/dbraw/zinc/68/50/91/1129685091.db2.gz VBZMJYJCSRDHMH-RNCFNFMXSA-N 0 1 273.273 3.757 20 0 CHADMN CN(Cc1nc(C(F)F)no1)C1CCCCCCC1 ZINC000822592724 1131390514 /nfs/dbraw/zinc/39/05/14/1131390514.db2.gz IKQKJLCSZSXDDU-UHFFFAOYSA-N 0 1 273.327 3.552 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N1CC[C@]2(CC2(F)F)C1 ZINC000649907552 1129686670 /nfs/dbraw/zinc/68/66/70/1129686670.db2.gz UTHAVMVIRAHOET-YGRLFVJLSA-N 0 1 278.302 3.620 20 0 CHADMN CC1(C)CN(Cc2cccc(Cl)n2)CC(C)(C)C1 ZINC001169002553 1129689456 /nfs/dbraw/zinc/68/94/56/1129689456.db2.gz AGEWSCYSIWBGRD-UHFFFAOYSA-N 0 1 266.816 3.993 20 0 CHADMN Cc1noc(C2(N[C@H](Cc3ccccc3)CC(C)C)CC2)n1 ZINC001169068838 1129695128 /nfs/dbraw/zinc/69/51/28/1129695128.db2.gz XDDGJJAPAUQXII-INIZCTEOSA-N 0 1 299.418 3.614 20 0 CHADMN Cc1ccc(NC(=O)CN2CC[C@@H](C)C(C)(C)C2)cc1C ZINC001169091336 1129699942 /nfs/dbraw/zinc/69/99/42/1129699942.db2.gz NLOTWAZDWZQKEW-OAHLLOKOSA-N 0 1 288.435 3.610 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H](C)c2ccc(Cl)cc2)n1 ZINC000650228044 1129701571 /nfs/dbraw/zinc/70/15/71/1129701571.db2.gz RVALWDXAAWASEE-GXFFZTMASA-N 0 1 293.798 3.921 20 0 CHADMN Cc1cc(Cl)cc(-c2cncc3nc[nH]c32)c1F ZINC001242225642 1129703408 /nfs/dbraw/zinc/70/34/08/1129703408.db2.gz CRJNQBHAMWXTHO-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN Cc1cc(Cl)cc(-c2cncc3[nH]cnc32)c1F ZINC001242225642 1129703411 /nfs/dbraw/zinc/70/34/11/1129703411.db2.gz CRJNQBHAMWXTHO-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN CN(Cc1ccc(Cl)c(F)c1)C1CC(F)(F)C1 ZINC001137649947 1131392207 /nfs/dbraw/zinc/39/22/07/1131392207.db2.gz VCKIJXFBYUXZEA-UHFFFAOYSA-N 0 1 263.690 3.709 20 0 CHADMN Cc1cc2nccn2cc1N[C@H]1CCCC(F)(F)C1 ZINC001169216742 1129709326 /nfs/dbraw/zinc/70/93/26/1129709326.db2.gz AIDNZMGKORBQCM-NSHDSACASA-N 0 1 265.307 3.633 20 0 CHADMN CC(C)(C)CCCN1CCO[C@@H](COc2ccccc2)C1 ZINC001169232148 1129711149 /nfs/dbraw/zinc/71/11/49/1129711149.db2.gz CFNQHXIXRRFFOW-QGZVFWFLSA-N 0 1 291.435 3.593 20 0 CHADMN CN(C)/C=C/c1ccncc1N[C@H](C1CCC1)C(F)(F)F ZINC001169286829 1129715608 /nfs/dbraw/zinc/71/56/08/1129715608.db2.gz BGYVCWHQFZVIJT-RCQQVGEISA-N 0 1 299.340 3.757 20 0 CHADMN CCCC1CCC(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])CC1 ZINC000650794599 1129722551 /nfs/dbraw/zinc/72/25/51/1129722551.db2.gz BPHKALUETQERTR-PPWQZUPISA-N 0 1 267.413 3.530 20 0 CHADMN Fc1cccc(F)c1-c1ncccc1CN1CCCC1 ZINC001239574385 1131393326 /nfs/dbraw/zinc/39/33/26/1131393326.db2.gz QJUGZUPXIDXHSE-UHFFFAOYSA-N 0 1 274.314 3.623 20 0 CHADMN Cc1ccc(CNc2cc(N)c(F)cn2)c2ccccc12 ZINC001169414357 1129724911 /nfs/dbraw/zinc/72/49/11/1129724911.db2.gz VQQFTNSGVUQPAG-UHFFFAOYSA-N 0 1 281.334 3.877 20 0 CHADMN CCCCC[C@H](C(=O)N[C@@H]1CCCc2cn[nH]c21)C(C)C ZINC000766693422 1129726088 /nfs/dbraw/zinc/72/60/88/1129726088.db2.gz UWKNYJIAONPFEH-LSDHHAIUSA-N 0 1 291.439 3.756 20 0 CHADMN CC(C)C[C@@H](CO)N(C)Cc1cccc(Cl)c1Cl ZINC001169484048 1129728591 /nfs/dbraw/zinc/72/85/91/1129728591.db2.gz YKMCEWXDPSFUGH-LBPRGKRZSA-N 0 1 290.234 3.832 20 0 CHADMN Clc1cccc(Cl)c1C1(NCc2cnc[nH]2)CCC1 ZINC000796455391 1129730175 /nfs/dbraw/zinc/73/01/75/1129730175.db2.gz HDLKHVKDOWOHQI-UHFFFAOYSA-N 0 1 296.201 3.886 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCC[C@H](F)CC1 ZINC001137656549 1131394067 /nfs/dbraw/zinc/39/40/67/1131394067.db2.gz KVVLCMKXTKTCKB-LBPRGKRZSA-N 0 1 259.727 3.803 20 0 CHADMN Cc1cc2nccn2cc1NC[C@@H](C)c1ccc(O)cc1 ZINC001169538404 1129734220 /nfs/dbraw/zinc/73/42/20/1129734220.db2.gz IQDSCOTZOFFCEB-CYBMUJFWSA-N 0 1 281.359 3.564 20 0 CHADMN C[C@H]1CN(Cc2cc(Br)cs2)C2(CC2)C1 ZINC001204027776 1129738975 /nfs/dbraw/zinc/73/89/75/1129738975.db2.gz LUOXXUYUJFYEGN-SECBINFHSA-N 0 1 286.238 3.885 20 0 CHADMN CCCOc1ccccc1CN(C)CCOc1ccccc1 ZINC001139001830 1129749705 /nfs/dbraw/zinc/74/97/05/1129749705.db2.gz LRKRPQFKORJUJY-UHFFFAOYSA-N 0 1 299.414 3.986 20 0 CHADMN Clc1ccccc1C1(NCc2cc[nH]c2)CCC1 ZINC000651861069 1129750525 /nfs/dbraw/zinc/75/05/25/1129750525.db2.gz GACYTUHBNGKNNK-UHFFFAOYSA-N 0 1 260.768 3.837 20 0 CHADMN CC(C)CCOCCN1CC[C@@](F)(c2ccccc2)C1 ZINC001169745613 1129751978 /nfs/dbraw/zinc/75/19/78/1129751978.db2.gz RTYNXVOXMQWFFY-KRWDZBQOSA-N 0 1 279.399 3.620 20 0 CHADMN CC[C@H]1CN(Cc2ccc3nc(C)ccc3c2)[C@H](C)CO1 ZINC000651932040 1129752105 /nfs/dbraw/zinc/75/21/05/1129752105.db2.gz JWTFLBHAXCBCCS-PBHICJAKSA-N 0 1 284.403 3.543 20 0 CHADMN BrC1=CCCN(CCCC2CCCC2)C1 ZINC001169731191 1129753213 /nfs/dbraw/zinc/75/32/13/1129753213.db2.gz DCVJEGQAYGIRLW-UHFFFAOYSA-N 0 1 272.230 3.941 20 0 CHADMN CO[C@@H](C)CNc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC001169777949 1129754368 /nfs/dbraw/zinc/75/43/68/1129754368.db2.gz JNPZSFDXNIGJQV-LBPRGKRZSA-N 0 1 281.359 3.677 20 0 CHADMN COc1cccc(OC)c1CN[C@H]1CCc2ccc(C)cc21 ZINC000651984401 1129755216 /nfs/dbraw/zinc/75/52/16/1129755216.db2.gz CSJNOTSSXWQORD-KRWDZBQOSA-N 0 1 297.398 3.789 20 0 CHADMN FC1(F)C[C@]12CC[N@@H+](CCc1cccc(Cl)c1)C2 ZINC000652064698 1129757481 /nfs/dbraw/zinc/75/74/81/1129757481.db2.gz XWJUCBAJQSTXCU-ZDUSSCGKSA-N 0 1 271.738 3.614 20 0 CHADMN C[C@@H](C[N@H+]1CC[C@]2(CC2(F)F)C1)c1cc(F)cc(F)c1 ZINC000652064566 1129757612 /nfs/dbraw/zinc/75/76/12/1129757612.db2.gz SSITVXLDYVLISK-HZMBPMFUSA-N 0 1 287.300 3.799 20 0 CHADMN c1ccc([C@@H]2C[C@H]2Nc2cc(OCC3CC3)ccn2)cc1 ZINC001169813237 1129758787 /nfs/dbraw/zinc/75/87/87/1129758787.db2.gz YOBIRGSKBVJROB-DLBZAZTESA-N 0 1 280.371 3.838 20 0 CHADMN CCC[N@H+](Cc1occc1C(=O)[O-])CC1CCCCC1 ZINC000652400289 1129765223 /nfs/dbraw/zinc/76/52/23/1129765223.db2.gz JUNZXJJNPDETEI-UHFFFAOYSA-N 0 1 279.380 3.770 20 0 CHADMN CC(C)(C)[C@@H]1CN(CCSCc2ccccc2)CCO1 ZINC001169929244 1129765490 /nfs/dbraw/zinc/76/54/90/1129765490.db2.gz VTTNEWRGUNAQQE-INIZCTEOSA-N 0 1 293.476 3.667 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)C/C=C/c1ccc(Cl)cc1 ZINC000652485058 1129765562 /nfs/dbraw/zinc/76/55/62/1129765562.db2.gz PODGEISWINMRIZ-MBVDDHJVSA-N 0 1 295.810 3.784 20 0 CHADMN CCCC1CCC(N(C)Cc2nccn2CC(F)F)CC1 ZINC001169952419 1129767103 /nfs/dbraw/zinc/76/71/03/1129767103.db2.gz IEPPNTVOFMAHKN-UHFFFAOYSA-N 0 1 299.409 3.939 20 0 CHADMN CC(C)(C(=O)Nc1ccc2c(c1)CCCCC2)c1cnc[nH]1 ZINC000652873398 1129770757 /nfs/dbraw/zinc/77/07/57/1129770757.db2.gz SLQJLNNDCNVYFN-UHFFFAOYSA-N 0 1 297.402 3.595 20 0 CHADMN Cc1nsc(C)c1C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000653574284 1129785609 /nfs/dbraw/zinc/78/56/09/1129785609.db2.gz OXYJFBWJJMOLBM-INIZCTEOSA-N 0 1 288.416 3.803 20 0 CHADMN FC(F)(F)C1=CCN(CCc2noc3ccccc32)CC1 ZINC000653592035 1129787402 /nfs/dbraw/zinc/78/74/02/1129787402.db2.gz FCJHLONQHMSSKQ-UHFFFAOYSA-N 0 1 296.292 3.565 20 0 CHADMN COc1cccc2ccc(-c3cccc(F)c3O)nc21 ZINC001242348375 1129789902 /nfs/dbraw/zinc/78/99/02/1129789902.db2.gz SEGDFDYANNGIJL-UHFFFAOYSA-N 0 1 269.275 3.755 20 0 CHADMN [O-]c1c(F)cccc1-c1ccccc1C[NH+]1CCCC1 ZINC001242350966 1129791528 /nfs/dbraw/zinc/79/15/28/1129791528.db2.gz BGVHIUFJPZODQH-UHFFFAOYSA-N 0 1 271.335 3.794 20 0 CHADMN CCC[C@H](C)NC(=O)[C@H](C)N[C@H](CC)c1ccccc1F ZINC000653792642 1129795764 /nfs/dbraw/zinc/79/57/64/1129795764.db2.gz PVCILCDLFVOPDB-HEHGZKQESA-N 0 1 294.414 3.560 20 0 CHADMN COc1cccc(OC)c1-c1cccc(Cl)c1O ZINC001242366793 1129797977 /nfs/dbraw/zinc/79/79/77/1129797977.db2.gz FHFYBGQDIABIKJ-UHFFFAOYSA-N 0 1 264.708 3.730 20 0 CHADMN Cc1cc(C)cc([C@H](O)CN2CCc3cccc(F)c3C2)c1 ZINC000767784007 1129814008 /nfs/dbraw/zinc/81/40/08/1129814008.db2.gz DKOUVPIBUCDTDU-LJQANCHMSA-N 0 1 299.389 3.534 20 0 CHADMN CC(C)CCN(C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000654470971 1129826809 /nfs/dbraw/zinc/82/68/09/1129826809.db2.gz XWJKQOWAYQJKCG-UHFFFAOYSA-N 0 1 289.297 3.529 20 0 CHADMN C[C@H](NC[C@@H](O)c1ccc2ccccc2c1)c1cscn1 ZINC000768105244 1129832086 /nfs/dbraw/zinc/83/20/86/1129832086.db2.gz KQVJCLGIWOKLMZ-YVEFUNNKSA-N 0 1 298.411 3.681 20 0 CHADMN c1csc([C@@H](N[C@@H]2CCn3ccnc32)C2CCCC2)c1 ZINC000380861259 1129833369 /nfs/dbraw/zinc/83/33/69/1129833369.db2.gz FAYHVFKJAQAEFV-HIFRSBDPSA-N 0 1 287.432 3.911 20 0 CHADMN c1csc([C@H](N[C@H]2CCn3ccnc32)C2CCCC2)c1 ZINC000380861256 1129833630 /nfs/dbraw/zinc/83/36/30/1129833630.db2.gz FAYHVFKJAQAEFV-DZGCQCFKSA-N 0 1 287.432 3.911 20 0 CHADMN Cc1ccc(C2=CCN(Cc3ccco3)CC2)cc1 ZINC000768214039 1129844366 /nfs/dbraw/zinc/84/43/66/1129844366.db2.gz GAIZZCAHBYXYAY-UHFFFAOYSA-N 0 1 253.345 3.877 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@H](C)c1cccnc1Cl ZINC000768271148 1129848434 /nfs/dbraw/zinc/84/84/34/1129848434.db2.gz JPMGXIMVZPCEEV-HTQZYQBOSA-N 0 1 266.694 3.727 20 0 CHADMN C[C@@H](CCC1CC1)NCc1nc(C(C)(C)C)co1 ZINC000724412081 1129853018 /nfs/dbraw/zinc/85/30/18/1129853018.db2.gz CDGKTZXBRPFWLM-NSHDSACASA-N 0 1 250.386 3.640 20 0 CHADMN Cc1nc([C@H](C)NC[C@@]2(C)CC2(Cl)Cl)cs1 ZINC000828816476 1131402007 /nfs/dbraw/zinc/40/20/07/1131402007.db2.gz WXFDNHBRCMWHKT-OIBJUYFYSA-N 0 1 279.236 3.686 20 0 CHADMN CC(C)(C)c1coc(CN2CC[C@H](C3CCCC3)C2)n1 ZINC001460265101 1129855364 /nfs/dbraw/zinc/85/53/64/1129855364.db2.gz LSOMZFSRBQFNSG-AWEZNQCLSA-N 0 1 276.424 3.984 20 0 CHADMN Cc1cc(Cl)nc(CNCc2ccc(Cl)cc2)c1 ZINC000800282861 1129864480 /nfs/dbraw/zinc/86/44/80/1129864480.db2.gz KJWHCLRQVICNKM-UHFFFAOYSA-N 0 1 281.186 3.987 20 0 CHADMN CCc1ccc(N(CC)C(=O)c2cc(C(F)F)n[nH]2)cc1 ZINC000900154900 1129867176 /nfs/dbraw/zinc/86/71/76/1129867176.db2.gz FAJNIIYFUYUCOT-UHFFFAOYSA-N 0 1 293.317 3.576 20 0 CHADMN CCCCN(Cc1cncnc1)[C@@H](C)c1ccc(C)o1 ZINC000768727277 1129871214 /nfs/dbraw/zinc/87/12/14/1129871214.db2.gz AWTKQQSVPYCVOV-AWEZNQCLSA-N 0 1 273.380 3.741 20 0 CHADMN Clc1cc(CN2CCC(c3cccnc3)CC2)ccn1 ZINC000768754814 1129872144 /nfs/dbraw/zinc/87/21/44/1129872144.db2.gz RRCSJKWIDFBAQC-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN CC(C)CN(Cc1c(Cl)nc(Cl)n1C)C(C)C ZINC000768779671 1129873844 /nfs/dbraw/zinc/87/38/44/1129873844.db2.gz HMTIZAIKLUDBKT-UHFFFAOYSA-N 0 1 278.227 3.593 20 0 CHADMN Cc1cc(C)c(NC(=O)[C@H]2C[C@H](C)Cc3cn[nH]c32)c(C)c1 ZINC000900304382 1129876829 /nfs/dbraw/zinc/87/68/29/1129876829.db2.gz APDLKFKJNVZZSJ-ABAIWWIYSA-N 0 1 297.402 3.640 20 0 CHADMN Cc1cc([C@@H](C)NC[C@H](O)c2c(F)cccc2F)oc1C ZINC000800482133 1129877310 /nfs/dbraw/zinc/87/73/10/1129877310.db2.gz OSNIYNVJDOEJFY-YGRLFVJLSA-N 0 1 295.329 3.559 20 0 CHADMN C[C@@H](c1ccncc1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769227918 1129896369 /nfs/dbraw/zinc/89/63/69/1129896369.db2.gz KCSHGJYNRDBAHF-GXTWGEPZSA-N 0 1 288.341 3.910 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccsc2)cnc1Cl ZINC000800888995 1129897190 /nfs/dbraw/zinc/89/71/90/1129897190.db2.gz ISDMUWSZONRGOS-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c(C)o1 ZINC000769316548 1129901754 /nfs/dbraw/zinc/90/17/54/1129901754.db2.gz HWPPFMXGBICRGM-INIZCTEOSA-N 0 1 299.370 3.962 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1occc1Br ZINC000769445187 1129906160 /nfs/dbraw/zinc/90/61/60/1129906160.db2.gz FVQOGFMVPHLWNL-VHSXEESVSA-N 0 1 272.186 3.663 20 0 CHADMN Cc1ccc(C[C@H](C)N(C)Cc2coc(C3CC3)n2)cc1 ZINC000769462675 1129911837 /nfs/dbraw/zinc/91/18/37/1129911837.db2.gz JZWCSUITLYITEX-AWEZNQCLSA-N 0 1 284.403 3.923 20 0 CHADMN C[C@@H]1CCC[C@H]1CC(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000769584606 1129918386 /nfs/dbraw/zinc/91/83/86/1129918386.db2.gz HFLPOMMTYHWHGU-OLZOCXBDSA-N 0 1 292.398 3.652 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H](F)c3ccccc3)ccc12 ZINC000769617907 1129919597 /nfs/dbraw/zinc/91/95/97/1129919597.db2.gz VWZHMANDBDNTHA-HNNXBMFYSA-N 0 1 283.306 3.521 20 0 CHADMN Cc1ccc([C@@H](O)CN2CC[C@](F)(c3ccccc3)C2)cc1 ZINC000801588506 1129930069 /nfs/dbraw/zinc/93/00/69/1129930069.db2.gz QQKALQCQKVKQOY-RBUKOAKNSA-N 0 1 299.389 3.599 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCCOC1CCCCCC1 ZINC000769871019 1129930196 /nfs/dbraw/zinc/93/01/96/1129930196.db2.gz CDODBNFOIVZQAG-CYBMUJFWSA-N 0 1 294.439 3.935 20 0 CHADMN CCCC1CCC(C[N@H+]2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC1 ZINC000901515341 1129933009 /nfs/dbraw/zinc/93/30/09/1129933009.db2.gz AWAACBVHKZODCK-OBQMCRIKSA-N 0 1 293.451 3.780 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1C[C@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000901526596 1129933847 /nfs/dbraw/zinc/93/38/47/1129933847.db2.gz WYNSNPKRKHWIEQ-ZMSDIMECSA-N 0 1 281.440 3.780 20 0 CHADMN O=C([O-])C[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CC=CCC1 ZINC000901590317 1129938028 /nfs/dbraw/zinc/93/80/28/1129938028.db2.gz HULREDSUTCQMOA-CYBMUJFWSA-N 0 1 293.794 3.583 20 0 CHADMN CCCCn1nc(C)c(CN2CC[C@@H](C)[C@H]2C)c1Cl ZINC000770283755 1129942978 /nfs/dbraw/zinc/94/29/78/1129942978.db2.gz LAPWPWNZJHTHCN-DGCLKSJQSA-N 0 1 283.847 3.875 20 0 CHADMN OCCCCCCCN1CCc2sc(Cl)cc2C1 ZINC000828998397 1131409456 /nfs/dbraw/zinc/40/94/56/1131409456.db2.gz STPQCGQDKZYWGP-UHFFFAOYSA-N 0 1 287.856 3.702 20 0 CHADMN CCC[C@@H](C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000901697458 1129945505 /nfs/dbraw/zinc/94/55/05/1129945505.db2.gz FIKYZZSDALYROD-FUHWJXTLSA-N 0 1 289.419 3.757 20 0 CHADMN CS[C@@H]1CCCCN(Cc2cnc(Cl)c(C)c2)C1 ZINC000770351016 1129945955 /nfs/dbraw/zinc/94/59/55/1129945955.db2.gz SXBMLZQCOGHXIX-CYBMUJFWSA-N 0 1 284.856 3.761 20 0 CHADMN CC1=C[C@H](C)C[C@@H](C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000901745235 1129949267 /nfs/dbraw/zinc/94/92/67/1129949267.db2.gz SOHNBXRZGAWXIL-DZGCQCFKSA-N 0 1 299.414 3.735 20 0 CHADMN CC1=C[C@@H](C)C[C@H](C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000901745236 1129949499 /nfs/dbraw/zinc/94/94/99/1129949499.db2.gz SOHNBXRZGAWXIL-HIFRSBDPSA-N 0 1 299.414 3.735 20 0 CHADMN Cc1ccc(C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-])cc1F ZINC000901840479 1129959373 /nfs/dbraw/zinc/95/93/73/1129959373.db2.gz KEDNKMGHXPFSRX-UHFFFAOYSA-N 0 1 295.398 3.703 20 0 CHADMN C[C@H]1CN(CCSC(C)(C)C)[C@H](c2ccccc2)CO1 ZINC000801925881 1129960130 /nfs/dbraw/zinc/96/01/30/1129960130.db2.gz SOSKAOCSGZHLLP-HOCLYGCPSA-N 0 1 293.476 3.980 20 0 CHADMN CO[C@H](CNC1(c2ccccc2F)CC1)c1ccccc1 ZINC000801938292 1129961926 /nfs/dbraw/zinc/96/19/26/1129961926.db2.gz DBJBZCVGBGCMNH-QGZVFWFLSA-N 0 1 285.362 3.792 20 0 CHADMN CCc1ccc([C@H](COC)NCCSC(C)(C)C)o1 ZINC000801940286 1129962150 /nfs/dbraw/zinc/96/21/50/1129962150.db2.gz ZILXNWOJPIATBS-ZDUSSCGKSA-N 0 1 285.453 3.651 20 0 CHADMN O=C([O-])[C@]1(F)C[N@@H+](CCC2CCCCCC2)CC12CCC2 ZINC000901914993 1129965372 /nfs/dbraw/zinc/96/53/72/1129965372.db2.gz LAEKJXAPKLFJGB-QGZVFWFLSA-N 0 1 297.414 3.626 20 0 CHADMN Cc1cc(C)c(/C=C\C[N@H+]2CCCC[C@H]2C(=O)[O-])c(C)c1 ZINC000901967420 1129968677 /nfs/dbraw/zinc/96/86/77/1129968677.db2.gz JSCJDQSBUMXJBA-TUYSUELWSA-N 0 1 287.403 3.564 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](C)CC1CCC2(CCCCC2)CC1 ZINC000901980986 1129969853 /nfs/dbraw/zinc/96/98/53/1129969853.db2.gz UNTMUAFVLQYZJF-ZDUSSCGKSA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000901997011 1129970798 /nfs/dbraw/zinc/97/07/98/1129970798.db2.gz KSPOVNOTQAPPEY-QGZUEGPWSA-N 0 1 291.366 3.558 20 0 CHADMN CCC[C@H](C[N@H+]1CCC[C@H]1CC(=O)[O-])c1ccccc1 ZINC000902007700 1129971438 /nfs/dbraw/zinc/97/14/38/1129971438.db2.gz OSRGZEPKFUYUET-CVEARBPZSA-N 0 1 275.392 3.509 20 0 CHADMN Cc1cc(C)cc([C@@H](O)CN2CCc3ccc(F)cc3C2)c1 ZINC000771119416 1129971580 /nfs/dbraw/zinc/97/15/80/1129971580.db2.gz FATRUSQUVXIKMZ-IBGZPJMESA-N 0 1 299.389 3.534 20 0 CHADMN Cc1nc2cc(NCCC(=O)c3ccccc3)ccc2[nH]1 ZINC001170021016 1129971600 /nfs/dbraw/zinc/97/16/00/1129971600.db2.gz XVSOHNPMYYOFBM-UHFFFAOYSA-N 0 1 279.343 3.556 20 0 CHADMN C[C@H](C[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000902018449 1129971639 /nfs/dbraw/zinc/97/16/39/1129971639.db2.gz USGVRMSQYXFLGG-LALPHHSUSA-N 0 1 295.810 3.629 20 0 CHADMN CC(C)c1ccc(CC[N@H+]2CCCCC[C@H]2C(=O)[O-])cc1 ZINC000902039234 1129973072 /nfs/dbraw/zinc/97/30/72/1129973072.db2.gz PETYHVHMFJZKGH-KRWDZBQOSA-N 0 1 289.419 3.682 20 0 CHADMN C[C@@H](C[N@H+]1CCCCC[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000902039503 1129973162 /nfs/dbraw/zinc/97/31/62/1129973162.db2.gz WTLQCIZBTYEGGL-SWLSCSKDSA-N 0 1 295.810 3.773 20 0 CHADMN CC[C@H](NCc1ccccc1NC)c1ccccc1OC ZINC000902056703 1129975884 /nfs/dbraw/zinc/97/58/84/1129975884.db2.gz ZSSFNUNFDGTCHS-INIZCTEOSA-N 0 1 284.403 3.978 20 0 CHADMN FC(F)(F)OCCCNc1ccc2cnccc2c1 ZINC000902068477 1129977825 /nfs/dbraw/zinc/97/78/25/1129977825.db2.gz ASYCJFQUABAWMM-UHFFFAOYSA-N 0 1 270.254 3.573 20 0 CHADMN CCCCSCC(=O)Nc1cc(F)cc(Cl)c1O ZINC000771507294 1129983061 /nfs/dbraw/zinc/98/30/61/1129983061.db2.gz AMIDMNROLMRJNU-UHFFFAOYSA-N 0 1 291.775 3.657 20 0 CHADMN CCC[N@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)CC(C)C ZINC000902132801 1129983444 /nfs/dbraw/zinc/98/34/44/1129983444.db2.gz QXSWKPCTDDSGED-UHFFFAOYSA-N 0 1 283.799 3.906 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C=C3CC[C@@H](C)C3)c2C)o1 ZINC000771670260 1129986797 /nfs/dbraw/zinc/98/67/97/1129986797.db2.gz WGSPOZQVTGCXOV-QQMDNXKGSA-N 0 1 299.374 3.971 20 0 CHADMN CCn1cnc(CN[C@H](c2ccccc2)C2CCC2)c1 ZINC000902193815 1129987033 /nfs/dbraw/zinc/98/70/33/1129987033.db2.gz DPQDCGNWLVXRQB-QGZVFWFLSA-N 0 1 269.392 3.534 20 0 CHADMN CCn1cnc(CN[C@@H](C)c2cc3ccccc3s2)c1 ZINC000902217995 1129990483 /nfs/dbraw/zinc/99/04/83/1129990483.db2.gz XGVFHGHEAKCKCC-LBPRGKRZSA-N 0 1 285.416 3.969 20 0 CHADMN CCCN(Cc1c(Cl)nc2ccccn21)CC1CC1 ZINC000771924513 1129994901 /nfs/dbraw/zinc/99/49/01/1129994901.db2.gz KWTLYZNGERLUNS-UHFFFAOYSA-N 0 1 277.799 3.610 20 0 CHADMN C/C(=C\C(C)(C)C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000771970636 1129999489 /nfs/dbraw/zinc/99/94/89/1129999489.db2.gz ZGJZEBMZANNVKD-MDZDMXLPSA-N 0 1 271.364 3.802 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)cc1Cl ZINC000902325549 1129999729 /nfs/dbraw/zinc/99/97/29/1129999729.db2.gz LIQUGPYEXXLYHV-ZDUSSCGKSA-N 0 1 293.794 3.660 20 0 CHADMN CCN(CCc1ccccn1)Cc1cccc(F)c1Cl ZINC000772202168 1130012377 /nfs/dbraw/zinc/01/23/77/1130012377.db2.gz QMUVWIFZBLYSRD-UHFFFAOYSA-N 0 1 292.785 3.939 20 0 CHADMN COc1ccc(-c2ccc3nc[nH]c3c2C)c(OC)c1 ZINC001239621388 1130015866 /nfs/dbraw/zinc/01/58/66/1130015866.db2.gz NYILIGUFWIIASO-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN CCn1cnc(CN[C@@H]2c3ccccc3CC[C@H]2C(C)C)c1 ZINC000902490707 1130016522 /nfs/dbraw/zinc/01/65/22/1130016522.db2.gz URWGSOHGTPRUBJ-HKUYNNGSSA-N 0 1 297.446 3.952 20 0 CHADMN CCN(Cc1ccc(Br)nc1Cl)C(C)C ZINC001139108650 1130017951 /nfs/dbraw/zinc/01/79/51/1130017951.db2.gz XGMQUUPIHAZDCV-UHFFFAOYSA-N 0 1 291.620 3.728 20 0 CHADMN Cc1ccc([C@@H](NCc2csc(N)n2)C2CCC2)cc1 ZINC000902497838 1130018170 /nfs/dbraw/zinc/01/81/70/1130018170.db2.gz ABWSAVOIOSLQIL-HNNXBMFYSA-N 0 1 287.432 3.665 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2CCC(C)(C)C(=O)[O-])c1 ZINC000902509853 1130018542 /nfs/dbraw/zinc/01/85/42/1130018542.db2.gz KDKPTUOTCVKHFH-HNNXBMFYSA-N 0 1 275.392 3.633 20 0 CHADMN C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000902530464 1130020775 /nfs/dbraw/zinc/02/07/75/1130020775.db2.gz RWDSNEMLQUARBD-STQMWFEESA-N 0 1 299.370 3.875 20 0 CHADMN C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC000902531131 1130021053 /nfs/dbraw/zinc/02/10/53/1130021053.db2.gz XFILXVSPHAMEFF-STQMWFEESA-N 0 1 299.370 3.875 20 0 CHADMN CC(=O)c1ccc(-c2cc3nc[nH]c3cc2F)cc1 ZINC001239631501 1130024046 /nfs/dbraw/zinc/02/40/46/1130024046.db2.gz FCXOCZKHIKPHQW-UHFFFAOYSA-N 0 1 254.264 3.572 20 0 CHADMN CCCC[C@@H](CC)CC[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000902560398 1130024701 /nfs/dbraw/zinc/02/47/01/1130024701.db2.gz SNNGALHVQRGRLH-RBSFLKMASA-N 0 1 269.429 3.636 20 0 CHADMN c1cnn(-c2ccc(CN(Cc3ccoc3)C3CC3)cc2)c1 ZINC000802658773 1130028174 /nfs/dbraw/zinc/02/81/74/1130028174.db2.gz HFMPJLHJQLROOO-UHFFFAOYSA-N 0 1 293.370 3.630 20 0 CHADMN COc1cc(-c2ccc3nc(C)[nH]c3c2)cc(OC)c1OC ZINC001239641681 1130029807 /nfs/dbraw/zinc/02/98/07/1130029807.db2.gz RWNIAVFOQHFNLU-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN Cc1nc(CNc2nc3cc(C)ccc3[nH]2)sc1C ZINC000902645095 1130034575 /nfs/dbraw/zinc/03/45/75/1130034575.db2.gz SCADEIJFHCMLAE-UHFFFAOYSA-N 0 1 272.377 3.557 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCC(C)(C)C ZINC000772656663 1130035758 /nfs/dbraw/zinc/03/57/58/1130035758.db2.gz AWYBNJDYHSVEOM-UHFFFAOYSA-N 0 1 286.375 3.896 20 0 CHADMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)[C@H]1CC1(C)C ZINC000785497364 1130036918 /nfs/dbraw/zinc/03/69/18/1130036918.db2.gz SGCUSARIACPFIZ-SMDDNHRTSA-N 0 1 264.388 3.734 20 0 CHADMN COc1ccc(OC)c(-c2cc3[nH]ccc3c(C)n2)c1 ZINC001239662259 1130039833 /nfs/dbraw/zinc/03/98/33/1130039833.db2.gz LLVSZWHBQVIDOJ-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN CCC[C@H](C)c1noc([C@@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000785585647 1130040734 /nfs/dbraw/zinc/04/07/34/1130040734.db2.gz MBOVPKAVKFPAPJ-WUHRBBMRSA-N 0 1 265.401 3.907 20 0 CHADMN CCC[C@H](NCc1cccc(F)n1)c1ccsc1 ZINC000785567739 1130042677 /nfs/dbraw/zinc/04/26/77/1130042677.db2.gz PCYDKTVQRJUOQJ-ZDUSSCGKSA-N 0 1 264.369 3.913 20 0 CHADMN c1cc(-c2nccc3c2CCN(Cc2ccccc2)C3)co1 ZINC001239686259 1130054652 /nfs/dbraw/zinc/05/46/52/1130054652.db2.gz PBGISCARBWHCAQ-UHFFFAOYSA-N 0 1 290.366 3.900 20 0 CHADMN CCCn1cc([C@@H](C)N[C@H](c2ccccc2)C(C)C)nn1 ZINC000902730394 1130046454 /nfs/dbraw/zinc/04/64/54/1130046454.db2.gz QNQHDFFYNXERBK-PBHICJAKSA-N 0 1 286.423 3.736 20 0 CHADMN C[NH+](C)Cc1cccc(-c2cccc([O-])c2Cl)c1F ZINC001242803874 1130060141 /nfs/dbraw/zinc/06/01/41/1130060141.db2.gz YVVQVOQALOUNBO-UHFFFAOYSA-N 0 1 279.742 3.913 20 0 CHADMN Cc1ccccc1[C@@H](CC(C)C)N[C@@H](C)c1cn(C)nn1 ZINC000902803404 1130060550 /nfs/dbraw/zinc/06/05/50/1130060550.db2.gz VEJJYZZNAOJZGK-GOEBONIOSA-N 0 1 286.423 3.562 20 0 CHADMN Cc1ccccc1[C@H](N[C@H](C)c1cn(C)nn1)C(C)(C)C ZINC000902836194 1130067399 /nfs/dbraw/zinc/06/73/99/1130067399.db2.gz VDVISVXLXPSOMP-CJNGLKHVSA-N 0 1 286.423 3.562 20 0 CHADMN COC(=O)c1nc2ccc(-c3cccc(C)c3C)cc2[nH]1 ZINC001239716330 1130070598 /nfs/dbraw/zinc/07/05/98/1130070598.db2.gz MEHDVBKQWJUBBD-UHFFFAOYSA-N 0 1 280.327 3.633 20 0 CHADMN Cc1cc(F)ccc1-c1nc(C(C)(C)C)nc2nc[nH]c21 ZINC001239736658 1130080388 /nfs/dbraw/zinc/08/03/88/1130080388.db2.gz KVPQCJQYBZNVLY-UHFFFAOYSA-N 0 1 284.338 3.765 20 0 CHADMN Cc1cc(F)ccc1-c1cc(F)c2c(c1)CN(C)CC2 ZINC001239740434 1130082859 /nfs/dbraw/zinc/08/28/59/1130082859.db2.gz AAYGWMAPEWGQBA-UHFFFAOYSA-N 0 1 273.326 3.928 20 0 CHADMN C[C@H](NC1CC(F)(F)C1)c1ccc(C(F)(F)F)cn1 ZINC000902973921 1130093359 /nfs/dbraw/zinc/09/33/59/1130093359.db2.gz YOUNDDCNAFOSSM-ZETCQYMHSA-N 0 1 280.240 3.549 20 0 CHADMN COC(=O)c1ccc([C@H](C)NCc2ccc(C)o2)c(C)c1 ZINC000903078395 1130109268 /nfs/dbraw/zinc/10/92/68/1130109268.db2.gz WRKVEDVYUGEXCI-ZDUSSCGKSA-N 0 1 287.359 3.534 20 0 CHADMN Cc1cccc(F)c1CN[C@H](c1ccccn1)C1CC1 ZINC000903102645 1130112445 /nfs/dbraw/zinc/11/24/45/1130112445.db2.gz ABFSNZHHYJTSQN-KRWDZBQOSA-N 0 1 270.351 3.770 20 0 CHADMN Cc1ccc(-c2cc(N3CCCC3)ccn2)c(C)c1 ZINC001239811816 1130119552 /nfs/dbraw/zinc/11/95/52/1130119552.db2.gz VHOKICQECIFEHF-UHFFFAOYSA-N 0 1 252.361 3.966 20 0 CHADMN COC[C@H](N[C@H](C)c1ccc[nH]1)c1ccc(Cl)cc1 ZINC000786867441 1130119770 /nfs/dbraw/zinc/11/97/70/1130119770.db2.gz AEZQPYXXCDZFCY-ABAIWWIYSA-N 0 1 278.783 3.706 20 0 CHADMN FC(F)(F)c1nc2cc(-c3nccs3)ccc2[nH]1 ZINC001242897000 1130120527 /nfs/dbraw/zinc/12/05/27/1130120527.db2.gz FMZFNFWGBAJMFI-UHFFFAOYSA-N 0 1 269.251 3.705 20 0 CHADMN CO[C@H](CN[C@@H](C)c1csc(Cl)c1)C(F)(F)F ZINC000786926716 1130122677 /nfs/dbraw/zinc/12/26/77/1130122677.db2.gz QYPZBEMKBGNTCN-POYBYMJQSA-N 0 1 287.734 3.629 20 0 CHADMN CO[C@H](CN[C@H](C)c1csc(Cl)c1)C(F)(F)F ZINC000786926711 1130122881 /nfs/dbraw/zinc/12/28/81/1130122881.db2.gz QYPZBEMKBGNTCN-HTRCEHHLSA-N 0 1 287.734 3.629 20 0 CHADMN C[C@@H](NCc1nccc2c1CCCC2)c1cccs1 ZINC000903185194 1130125729 /nfs/dbraw/zinc/12/57/29/1130125729.db2.gz QRPZMBXWQUXYPZ-GFCCVEGCSA-N 0 1 272.417 3.873 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1nccc2c1CCCC2 ZINC000903185238 1130125840 /nfs/dbraw/zinc/12/58/40/1130125840.db2.gz RWNLGISPAUPRAR-AWEZNQCLSA-N 0 1 281.403 3.515 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cnn(CC3CCC3)c2)cc(C)n1 ZINC000903190538 1130127358 /nfs/dbraw/zinc/12/73/58/1130127358.db2.gz XBADLAUBZAIOPC-HNNXBMFYSA-N 0 1 298.434 3.546 20 0 CHADMN C[C@@H](CSC(C)(C)C)NCc1nc2c(s1)CCC2 ZINC000903194014 1130127669 /nfs/dbraw/zinc/12/76/69/1130127669.db2.gz XVMDWTOKFKKUAX-JTQLQIEISA-N 0 1 284.494 3.642 20 0 CHADMN C[C@H](NCc1cc(N(C)C)ccn1)c1ccc(Cl)s1 ZINC000903202751 1130129522 /nfs/dbraw/zinc/12/95/22/1130129522.db2.gz IIXXMRWUEPYCKM-JTQLQIEISA-N 0 1 295.839 3.713 20 0 CHADMN COc1ccc2cc(-c3cccc4[nH]nnc43)ccc2c1 ZINC001239840797 1130131855 /nfs/dbraw/zinc/13/18/55/1130131855.db2.gz QVYWPOUGIBBFLE-UHFFFAOYSA-N 0 1 275.311 3.787 20 0 CHADMN CCc1ccc([C@H](C)NCc2c[nH]c(=O)c3ccccc23)o1 ZINC000903232080 1130132721 /nfs/dbraw/zinc/13/27/21/1130132721.db2.gz SCMWRNYJCHRANX-LBPRGKRZSA-N 0 1 296.370 3.947 20 0 CHADMN Cc1nc(F)ccc1CN1CCc2ccccc2[C@H]1C ZINC000787156641 1130133489 /nfs/dbraw/zinc/13/34/89/1130133489.db2.gz GEWKVDOQKJLRFD-CYBMUJFWSA-N 0 1 270.351 3.648 20 0 CHADMN CN(C)c1ccnc(-c2cccnc2-c2ccccc2)c1 ZINC001239867970 1130142279 /nfs/dbraw/zinc/14/22/79/1130142279.db2.gz CIGFESGXKOORIT-UHFFFAOYSA-N 0 1 275.355 3.877 20 0 CHADMN CC(C)CC[C@H](NCc1cnn(CCF)c1)c1ccoc1 ZINC000903274001 1130142635 /nfs/dbraw/zinc/14/26/35/1130142635.db2.gz HQALLSRSOHMXFL-INIZCTEOSA-N 0 1 293.386 3.713 20 0 CHADMN CN(C)Cc1ccc(-c2cccnc2-c2ccccc2)nc1 ZINC001239871565 1130143322 /nfs/dbraw/zinc/14/33/22/1130143322.db2.gz ILFJTGYKAZEVCT-UHFFFAOYSA-N 0 1 289.382 3.872 20 0 CHADMN c1c[nH]c([C@@H](N[C@@H]2CCCC3(CC3)C2)c2ccccc2)n1 ZINC000903278427 1130144114 /nfs/dbraw/zinc/14/41/14/1130144114.db2.gz DNUWGYXLUBAWBP-CVEARBPZSA-N 0 1 281.403 3.812 20 0 CHADMN CC1(C)C[C@H](N[C@@H]2c3ccccc3OC[C@H]2F)CCS1 ZINC000903282525 1130145151 /nfs/dbraw/zinc/14/51/51/1130145151.db2.gz LSRHFHWZKXOLOS-UXIGCNINSA-N 0 1 295.423 3.722 20 0 CHADMN CN(Cc1occc1Br)C1(C)CCCC1 ZINC000787336285 1130147891 /nfs/dbraw/zinc/14/78/91/1130147891.db2.gz DLXFEDFNKCCICG-UHFFFAOYSA-N 0 1 272.186 3.807 20 0 CHADMN Cc1c([C@@H](C)N[C@H](C)c2cncs2)cnn1C(C)C ZINC000903309630 1130150751 /nfs/dbraw/zinc/15/07/51/1130150751.db2.gz FVPUUHPREVXUEZ-GHMZBOCLSA-N 0 1 278.425 3.641 20 0 CHADMN C[C@@H](N[C@H](C)c1cc(F)cc(F)c1)c1cncs1 ZINC000903312148 1130152155 /nfs/dbraw/zinc/15/21/55/1130152155.db2.gz SWSQNXMKXXGQKA-RKDXNWHRSA-N 0 1 268.332 3.833 20 0 CHADMN COc1cncc(-c2ccc3nc(C(F)(F)F)[nH]c3c2)c1 ZINC001239930638 1130156696 /nfs/dbraw/zinc/15/66/96/1130156696.db2.gz QKHCHNFYQBBJQK-UHFFFAOYSA-N 0 1 293.248 3.652 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@H](c1ncccc1C)C(C)(C)C ZINC000903328805 1130156779 /nfs/dbraw/zinc/15/67/79/1130156779.db2.gz OMRMXSUJKYFLRK-BLLLJJGKSA-N 0 1 286.423 3.860 20 0 CHADMN Cc1cccnc1[C@@H](N[C@@H](C)c1cncnc1C)C(C)(C)C ZINC000903330568 1130157774 /nfs/dbraw/zinc/15/77/74/1130157774.db2.gz WPXQDKBYIPXIBZ-WMLDXEAASA-N 0 1 298.434 3.926 20 0 CHADMN C[C@H](N[C@H](c1ccccn1)C1CC1)c1ccc2c(c1)OCO2 ZINC000903337785 1130161636 /nfs/dbraw/zinc/16/16/36/1130161636.db2.gz FJUUCVYMGQEKMQ-SGTLLEGYSA-N 0 1 296.370 3.612 20 0 CHADMN C[C@@H](N[C@H](c1ccccn1)C1CC1)c1ccc(Cl)nc1 ZINC000903340064 1130162643 /nfs/dbraw/zinc/16/26/43/1130162643.db2.gz PEVYFFOZEDAHRK-BZNIZROVSA-N 0 1 287.794 3.932 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](c2ccccn2)C2CC2)s1 ZINC000903339495 1130162666 /nfs/dbraw/zinc/16/26/66/1130162666.db2.gz MAPUSGLZWWKIQM-ZUZCIYMTSA-N 0 1 273.405 3.648 20 0 CHADMN CC(C)[C@H](NCc1cn(C)cn1)c1ccc2c(c1)CCCC2 ZINC000903351204 1130164713 /nfs/dbraw/zinc/16/47/13/1130164713.db2.gz IYGRAJJUQPQKCO-IBGZPJMESA-N 0 1 297.446 3.786 20 0 CHADMN C[C@H](NC[C@@H]1CCCC(C)(C)O1)c1cccnc1Cl ZINC000903352984 1130165914 /nfs/dbraw/zinc/16/59/14/1130165914.db2.gz XZOMMGSNRBELNB-RYUDHWBXSA-N 0 1 282.815 3.733 20 0 CHADMN Cn1cnc(CN[C@@H]2CCCCc3ccc(Cl)cc32)c1 ZINC000903352824 1130165923 /nfs/dbraw/zinc/16/59/23/1130165923.db2.gz XRVVYDDEQYICRP-MRXNPFEDSA-N 0 1 289.810 3.631 20 0 CHADMN COc1cc(C)ccc1-c1cccc2nc(C)[nH]c21 ZINC001242980180 1130167942 /nfs/dbraw/zinc/16/79/42/1130167942.db2.gz YPWAAGIVHNRZNP-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN C[C@H](NCc1ccc(CCO)cc1)c1ccccc1Cl ZINC000903395202 1130169383 /nfs/dbraw/zinc/16/93/83/1130169383.db2.gz BSAUHYVBVGFXNO-ZDUSSCGKSA-N 0 1 289.806 3.726 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000903407332 1130171456 /nfs/dbraw/zinc/17/14/56/1130171456.db2.gz GHMFMGPOMFILMY-WMLDXEAASA-N 0 1 289.419 3.570 20 0 CHADMN CC(C)Oc1ccc(-c2cccn3cncc23)cc1 ZINC001239960296 1130172797 /nfs/dbraw/zinc/17/27/97/1130172797.db2.gz VAQIZUJKZJXBEF-UHFFFAOYSA-N 0 1 252.317 3.789 20 0 CHADMN CCCOc1ccc(-c2nccc(N)c2C)c(F)c1F ZINC001239962764 1130173613 /nfs/dbraw/zinc/17/36/13/1130173613.db2.gz JRIUYKWKZCAWPI-UHFFFAOYSA-N 0 1 278.302 3.706 20 0 CHADMN CCCOc1ccc(-c2cc(N)c(C)cn2)c(F)c1F ZINC001239962798 1130174144 /nfs/dbraw/zinc/17/41/44/1130174144.db2.gz DJAQZEDOPLFDAI-UHFFFAOYSA-N 0 1 278.302 3.706 20 0 CHADMN C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000903421945 1130174233 /nfs/dbraw/zinc/17/42/33/1130174233.db2.gz XZJNIKLOMOBQAS-ZBFHGGJFSA-N 0 1 275.392 3.509 20 0 CHADMN C[C@H](N[C@H](c1ccncc1)C1CC1)c1cn2ccccc2n1 ZINC000903428585 1130176047 /nfs/dbraw/zinc/17/60/47/1130176047.db2.gz PEDMJTYYUAVFNF-UGSOOPFHSA-N 0 1 292.386 3.531 20 0 CHADMN C[C@H](N[C@H](c1ccncc1)C1CC1)c1cc(O)ccc1F ZINC000903428455 1130176158 /nfs/dbraw/zinc/17/61/58/1130176158.db2.gz HJQQYPBJPJMLCE-GTNSWQLSSA-N 0 1 286.350 3.728 20 0 CHADMN Clc1ccnc2c1CC[C@@H]2N[C@@H](c1ccncc1)C1CC1 ZINC000903430600 1130176816 /nfs/dbraw/zinc/17/68/16/1130176816.db2.gz YPHMDMFCQDYFCF-JKSUJKDBSA-N 0 1 299.805 3.858 20 0 CHADMN CCC[C@H](N[C@H]1COC[C@H]1C1CC1)c1ncccc1Cl ZINC000903441131 1130177938 /nfs/dbraw/zinc/17/79/38/1130177938.db2.gz XVHHQUALNGEQBW-QEJZJMRPSA-N 0 1 294.826 3.591 20 0 CHADMN C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903473946 1130180163 /nfs/dbraw/zinc/18/01/63/1130180163.db2.gz CNAGUMILWFWGBB-LLVKDONJSA-N 0 1 264.319 3.788 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1CCCC2(CCCCC2)C1 ZINC000903598661 1130183854 /nfs/dbraw/zinc/18/38/54/1130183854.db2.gz WYKDIGABWOIFEU-ZIAGYGMSSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000903594430 1130183919 /nfs/dbraw/zinc/18/39/19/1130183919.db2.gz CDWWMHQIENMZTR-UAGQMJEPSA-N 0 1 289.419 3.755 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000903591858 1130183949 /nfs/dbraw/zinc/18/39/49/1130183949.db2.gz UPSDYFPTNKAEKG-BBRMVZONSA-N 0 1 291.435 3.915 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000903591859 1130183981 /nfs/dbraw/zinc/18/39/81/1130183981.db2.gz UPSDYFPTNKAEKG-CJNGLKHVSA-N 0 1 291.435 3.915 20 0 CHADMN O=C([O-])c1ccc2c(c1)CC[N@@H+]([C@@H]1C=CCCCCC1)C2 ZINC000903619400 1130184402 /nfs/dbraw/zinc/18/44/02/1130184402.db2.gz ZZAYHERTTDLLPT-QGZVFWFLSA-N 0 1 285.387 3.632 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000903608250 1130184857 /nfs/dbraw/zinc/18/48/57/1130184857.db2.gz XOAUMSCETQSUOJ-IMJJTQAJSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000903600021 1130185042 /nfs/dbraw/zinc/18/50/42/1130185042.db2.gz BQJYQWHFYXBVDI-RHSMWYFYSA-N 0 1 289.419 3.570 20 0 CHADMN CCCC[N@@H+](Cc1c(C)oc(C)c1C)CC1(C(=O)[O-])CC1 ZINC000903635435 1130185424 /nfs/dbraw/zinc/18/54/24/1130185424.db2.gz HJCHJWDUODKNEE-UHFFFAOYSA-N 0 1 293.407 3.672 20 0 CHADMN C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000903631599 1130185551 /nfs/dbraw/zinc/18/55/51/1130185551.db2.gz OZCURKVUMXXLJS-GOEBONIOSA-N 0 1 287.403 3.509 20 0 CHADMN O=C([O-])CCCCC[N@@H+](Cc1cccc(F)c1)C1CCC1 ZINC000903635102 1130185633 /nfs/dbraw/zinc/18/56/33/1130185633.db2.gz CUAYAYNQGNFKRU-UHFFFAOYSA-N 0 1 293.382 3.825 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@H]2c2ccc(F)cc2)CCC1 ZINC000903697007 1130190617 /nfs/dbraw/zinc/19/06/17/1130190617.db2.gz PDCYCAALFWFJLX-HNNXBMFYSA-N 0 1 291.366 3.608 20 0 CHADMN Cc1cc(-c2ccc(N3CCCCC3)cc2)nc2nc[nH]c21 ZINC001240006678 1130190606 /nfs/dbraw/zinc/19/06/06/1130190606.db2.gz SJOZJXXABKYNNS-UHFFFAOYSA-N 0 1 292.386 3.924 20 0 CHADMN CSCCCCc1noc(-c2cc(Cl)ccc2O)n1 ZINC000903784802 1130197736 /nfs/dbraw/zinc/19/77/36/1130197736.db2.gz NDNDPQYHSAYTMO-UHFFFAOYSA-N 0 1 298.795 3.781 20 0 CHADMN CSCCCCCCN[C@H](C)c1cc(C)on1 ZINC000788739030 1130207872 /nfs/dbraw/zinc/20/78/72/1130207872.db2.gz MLRZNVVYVBRZTL-GFCCVEGCSA-N 0 1 256.415 3.557 20 0 CHADMN CCCC[N@@H+](Cc1ccc(C(=O)[O-])c2cccnc12)C1CC1 ZINC000903888203 1130208654 /nfs/dbraw/zinc/20/86/54/1130208654.db2.gz UGORNYOCKZIXER-UHFFFAOYSA-N 0 1 298.386 3.698 20 0 CHADMN Cc1cccc(C[N@H+](C)[C@@H](CCc2ccccc2)C(=O)[O-])c1 ZINC000903886171 1130209126 /nfs/dbraw/zinc/20/91/26/1130209126.db2.gz BCGKMDYXUINBML-SFHVURJKSA-N 0 1 297.398 3.513 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)[C@H]1C ZINC000903889933 1130209133 /nfs/dbraw/zinc/20/91/33/1130209133.db2.gz SWMHNLBCXTUDRB-OLZOCXBDSA-N 0 1 298.386 3.553 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@@H+](C[C@@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC000903888006 1130209277 /nfs/dbraw/zinc/20/92/77/1130209277.db2.gz MKLUKZOYFMDCGI-ITDIGPHOSA-N 0 1 293.794 3.586 20 0 CHADMN CC(C)C[N@@H+](C[C@@H]1CC2CCC1CC2)CC(C)(C)C(=O)[O-] ZINC000903913295 1130209987 /nfs/dbraw/zinc/20/99/87/1130209987.db2.gz NONMLLUPOUNFGB-GPANFISMSA-N 0 1 295.467 3.882 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000903938643 1130210975 /nfs/dbraw/zinc/21/09/75/1130210975.db2.gz AETFHAMXDIFOBK-HOCLYGCPSA-N 0 1 289.419 3.570 20 0 CHADMN Cc1ccc(C[N@@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)c(C)c1 ZINC000903950600 1130211072 /nfs/dbraw/zinc/21/10/72/1130211072.db2.gz RCDFLLBOPQQBAK-KLZNWCGWSA-N 0 1 289.419 3.623 20 0 CHADMN CC1(C)C[C@H](c2ccccc2)C[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000903935357 1130211504 /nfs/dbraw/zinc/21/15/04/1130211504.db2.gz XMUIFEYGWPWPMT-AWEZNQCLSA-N 0 1 299.370 3.746 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCCc2ccsc2)[C@H](C)[C@H]1C(=O)[O-] ZINC000903954726 1130212449 /nfs/dbraw/zinc/21/24/49/1130212449.db2.gz ZKGYENBOTVVNJU-COMQUAJESA-N 0 1 295.448 3.500 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCC(C)(C)C2CC2)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903952702 1130212895 /nfs/dbraw/zinc/21/28/95/1130212895.db2.gz LMYGPJBCCCMQKK-QVHKTLOISA-N 0 1 281.440 3.632 20 0 CHADMN COc1ccc(F)c(-c2ccc3[nH]c(C)nc3c2)c1 ZINC001240117689 1130215072 /nfs/dbraw/zinc/21/50/72/1130215072.db2.gz HNKMOUWVIKXTCB-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CCN(CCC(F)(F)F)Cn1cnc2cc(C)c(C)cc21 ZINC000748296158 1130227996 /nfs/dbraw/zinc/22/79/96/1130227996.db2.gz KCOVNMLJHNZUQE-UHFFFAOYSA-N 0 1 299.340 3.885 20 0 CHADMN Fc1ccc2[nH]ccc2c1-c1cc2nc[nH]c2cc1F ZINC001240219253 1130237143 /nfs/dbraw/zinc/23/71/43/1130237143.db2.gz CTWJUFZVHUSFNI-UHFFFAOYSA-N 0 1 269.254 3.989 20 0 CHADMN Cc1nc2cccc(-c3cccc(-n4cccn4)c3)c2[nH]1 ZINC001240248726 1130246614 /nfs/dbraw/zinc/24/66/14/1130246614.db2.gz UYKAFKZGDHMYLQ-UHFFFAOYSA-N 0 1 274.327 3.724 20 0 CHADMN CCN(C)C(=O)c1ccc(-c2cccc3nc(C)[nH]c32)cc1 ZINC001240284996 1130255672 /nfs/dbraw/zinc/25/56/72/1130255672.db2.gz DYKPUNCLVMQWLL-UHFFFAOYSA-N 0 1 293.370 3.630 20 0 CHADMN C[C@H](NCc1ccnc(N(C)C)c1)c1ccccc1Cl ZINC000749125955 1130266189 /nfs/dbraw/zinc/26/61/89/1130266189.db2.gz KBABJAXNUUWXHR-LBPRGKRZSA-N 0 1 289.810 3.652 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccnc(C(F)(F)F)c1 ZINC001240339901 1130269362 /nfs/dbraw/zinc/26/93/62/1130269362.db2.gz JUZRZCDORRNTGD-UHFFFAOYSA-N 0 1 293.248 3.652 20 0 CHADMN CN(C)Cc1ccc(-c2ccnc(C(F)(F)F)c2)cc1F ZINC001240341166 1130270468 /nfs/dbraw/zinc/27/04/68/1130270468.db2.gz NHHRKUCWJWPOEV-UHFFFAOYSA-N 0 1 298.283 3.968 20 0 CHADMN Cc1nc([C@@H](C)NCCOc2ccccc2F)c(C)s1 ZINC000676840039 1130272911 /nfs/dbraw/zinc/27/29/11/1130272911.db2.gz WHMUVTHFBBHCBF-SNVBAGLBSA-N 0 1 294.395 3.629 20 0 CHADMN Cc1cccc2c1CCN(Cc1ccc(-c3cc[nH]n3)o1)C2 ZINC000789731257 1130273250 /nfs/dbraw/zinc/27/32/50/1130273250.db2.gz CRLPQTGEZWABOO-UHFFFAOYSA-N 0 1 293.370 3.536 20 0 CHADMN CCCCO[C@@H]1C[C@@H](NC/C(Cl)=C/Cl)C1(C)C ZINC001170120264 1130277414 /nfs/dbraw/zinc/27/74/14/1130277414.db2.gz ZXYNAZIIJLHIBA-NRCZCXPTSA-N 0 1 280.239 3.879 20 0 CHADMN Cn1cc(-c2ccc(-c3cccc4nc[nH]c43)cc2)cn1 ZINC001240363822 1130279155 /nfs/dbraw/zinc/27/91/55/1130279155.db2.gz SJLZCAYXQQMXER-UHFFFAOYSA-N 0 1 274.327 3.630 20 0 CHADMN COc1cc(C2=CCCN(Cc3ccccc3)C2)ncc1F ZINC001240385954 1130284473 /nfs/dbraw/zinc/28/44/73/1130284473.db2.gz SLBBMCIGJFZOIG-UHFFFAOYSA-N 0 1 298.361 3.519 20 0 CHADMN CC(C)CCCC(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000826847690 1130289136 /nfs/dbraw/zinc/28/91/36/1130289136.db2.gz GPUINNPFKHVTHI-UHFFFAOYSA-N 0 1 280.387 3.652 20 0 CHADMN C[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000826848569 1130289582 /nfs/dbraw/zinc/28/95/82/1130289582.db2.gz VWPPQKZGQUVDMO-SJKOYZFVSA-N 0 1 292.398 3.652 20 0 CHADMN Cc1csc(CN(C)CCc2cccnc2)c1Cl ZINC001137291341 1130305616 /nfs/dbraw/zinc/30/56/16/1130305616.db2.gz OZZDCOCLMNQFHZ-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN COc1ccc(F)c(F)c1-c1ccc2[nH]c(C)nc2c1 ZINC001240433048 1130310127 /nfs/dbraw/zinc/31/01/27/1130310127.db2.gz JBXJDNNFTIJXCA-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN Cc1cc(CNCc2ccc(-c3ccccc3)cc2)ncn1 ZINC000677426120 1130311882 /nfs/dbraw/zinc/31/18/82/1130311882.db2.gz ZYBOQXZNGGPDCV-UHFFFAOYSA-N 0 1 289.382 3.742 20 0 CHADMN COc1ccc(F)c(F)c1-c1ccc(CN(C)C)c(F)c1 ZINC001240437499 1130313182 /nfs/dbraw/zinc/31/31/82/1130313182.db2.gz BPYNZZVVRLPQMG-UHFFFAOYSA-N 0 1 295.304 3.841 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1CC[C@H](C(F)(F)F)C1 ZINC000677714407 1130321633 /nfs/dbraw/zinc/32/16/33/1130321633.db2.gz ZVJHLRRZUXERKU-ONGXEEELSA-N 0 1 261.262 3.771 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1CC[C@@H](C(F)(F)F)C1 ZINC000677714404 1130322170 /nfs/dbraw/zinc/32/21/70/1130322170.db2.gz ZVJHLRRZUXERKU-GXSJLCMTSA-N 0 1 261.262 3.771 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](C)c2cnn(C(C)C)c2)s1 ZINC000677756341 1130329967 /nfs/dbraw/zinc/32/99/67/1130329967.db2.gz UOXDZYKCHPLEDJ-QWRGUYRKSA-N 0 1 278.425 3.641 20 0 CHADMN CCOC(=O)c1cc2ccc(-c3ccsc3C)[nH]c-2n1 ZINC001240499807 1130330876 /nfs/dbraw/zinc/33/08/76/1130330876.db2.gz UHLCDVJEVWHFEK-UHFFFAOYSA-N 0 1 286.356 3.777 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1ccnc(OC)c1 ZINC000677816786 1130333381 /nfs/dbraw/zinc/33/33/81/1130333381.db2.gz ANHKFVHMBBOWED-QGZVFWFLSA-N 0 1 282.387 3.600 20 0 CHADMN c1cc2cnc(-c3cccc(N4CCCC4)c3)cc2[nH]1 ZINC001240533353 1130347084 /nfs/dbraw/zinc/34/70/84/1130347084.db2.gz KPWYYSUSQRJWDL-UHFFFAOYSA-N 0 1 263.344 3.830 20 0 CHADMN c1c2ccccc2[nH]c1CN1CCOC[C@@H]1C1CCCCC1 ZINC001137320725 1130347988 /nfs/dbraw/zinc/34/79/88/1130347988.db2.gz HOCBBNFRBVNXGM-LJQANCHMSA-N 0 1 298.430 3.949 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C=Cc1cccs1 ZINC000791052616 1130348275 /nfs/dbraw/zinc/34/82/75/1130348275.db2.gz ZYAZKCPWHFFFSU-SNAWJCMRSA-N 0 1 283.356 3.585 20 0 CHADMN COc1ccc(CN(C)CCC(C)C)c(Cl)c1OC ZINC000678138043 1130357079 /nfs/dbraw/zinc/35/70/79/1130357079.db2.gz ZVLJOQCIXQUCHL-UHFFFAOYSA-N 0 1 285.815 3.835 20 0 CHADMN C[C@H](OC(=O)c1c(F)cc(O)cc1F)c1ccc(F)cc1 ZINC000746988622 1130357785 /nfs/dbraw/zinc/35/77/85/1130357785.db2.gz YVXORFSIENYPTB-QMMMGPOBSA-N 0 1 296.244 3.728 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1cccc(-c2cc[nH]n2)c1 ZINC001240562280 1130359951 /nfs/dbraw/zinc/35/99/51/1130359951.db2.gz XFBBJCMXHMHQOA-UHFFFAOYSA-N 0 1 274.327 3.928 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cccc(-c2cc[nH]n2)c1 ZINC001240562888 1130361168 /nfs/dbraw/zinc/36/11/68/1130361168.db2.gz VIFMSPDZQYSKQJ-UHFFFAOYSA-N 0 1 290.326 3.629 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000203517390 1130361274 /nfs/dbraw/zinc/36/12/74/1130361274.db2.gz BVCNZVGXNVBZBX-YOEHRIQHSA-N 0 1 275.392 3.633 20 0 CHADMN CCn1cc(CN(Cc2ccc(F)c(F)c2)C(C)C)cn1 ZINC000678154208 1130362231 /nfs/dbraw/zinc/36/22/31/1130362231.db2.gz IQERIVUTZQYCGU-UHFFFAOYSA-N 0 1 293.361 3.592 20 0 CHADMN CN(C(=O)C(C)(C)c1cnc[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000791332772 1130362836 /nfs/dbraw/zinc/36/28/36/1130362836.db2.gz RAEODXBJEYGUQR-UHFFFAOYSA-N 0 1 299.418 3.648 20 0 CHADMN C[C@H]1c2ccccc2OCCN1Cc1ccsc1 ZINC000678196802 1130368736 /nfs/dbraw/zinc/36/87/36/1130368736.db2.gz HVYAPPWGRSXEAS-LBPRGKRZSA-N 0 1 259.374 3.704 20 0 CHADMN C[C@@H](c1ccco1)N(Cc1[nH]nc2ccccc21)C1CC1 ZINC000678213418 1130371975 /nfs/dbraw/zinc/37/19/75/1130371975.db2.gz UPVBEPANCJENKW-LBPRGKRZSA-N 0 1 281.359 3.882 20 0 CHADMN c1c[nH]c([C@@H]2CCCCN2C[C@H]2CCOc3ccccc32)n1 ZINC000678225149 1130373950 /nfs/dbraw/zinc/37/39/50/1130373950.db2.gz YZRCCUNESOQELE-ZBFHGGJFSA-N 0 1 297.402 3.503 20 0 CHADMN CCN(Cc1ccoc1)Cc1ccc(OC)c(C)c1 ZINC000678233392 1130374280 /nfs/dbraw/zinc/37/42/80/1130374280.db2.gz BWLKQIFMHFLGET-UHFFFAOYSA-N 0 1 259.349 3.619 20 0 CHADMN Cc1cc(-c2ccc(N3CCCC3)cc2)nc2nc[nH]c21 ZINC001240589299 1130374582 /nfs/dbraw/zinc/37/45/82/1130374582.db2.gz NPRXDUKKXSUKHC-UHFFFAOYSA-N 0 1 278.359 3.534 20 0 CHADMN CC(C)(C)CN(CCCO)Cc1cscc1Cl ZINC000678242156 1130378689 /nfs/dbraw/zinc/37/86/89/1130378689.db2.gz YTOATUKTRVRAQZ-UHFFFAOYSA-N 0 1 275.845 3.632 20 0 CHADMN Cc1cc(C)c(CN(C)Cc2ccc(Cl)cc2)[nH]1 ZINC001137328190 1130380106 /nfs/dbraw/zinc/38/01/06/1130380106.db2.gz WIMUBAAVBUPVPS-UHFFFAOYSA-N 0 1 262.784 3.917 20 0 CHADMN C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1[C@H](C)C[C@H]1C ZINC000791575605 1130383936 /nfs/dbraw/zinc/38/39/36/1130383936.db2.gz XIPYFOKLAJRTNY-MGPQQGTHSA-N 0 1 288.435 3.794 20 0 CHADMN c1n[nH]cc1CN1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000678277277 1130389094 /nfs/dbraw/zinc/38/90/94/1130389094.db2.gz WZJXQYJJLTYISZ-LJQANCHMSA-N 0 1 289.382 3.709 20 0 CHADMN Fc1ccc2[nH]cc(C[N@H+]3CCc4ccccc4C3)c2c1 ZINC001137333512 1130400339 /nfs/dbraw/zinc/40/03/39/1130400339.db2.gz JQOKOFWBJKNCCS-UHFFFAOYSA-N 0 1 280.346 3.865 20 0 CHADMN Fc1ccc2[nH]cc(CN3CCc4ccccc4C3)c2c1 ZINC001137333512 1130400343 /nfs/dbraw/zinc/40/03/43/1130400343.db2.gz JQOKOFWBJKNCCS-UHFFFAOYSA-N 0 1 280.346 3.865 20 0 CHADMN Fc1ccc2[nH]cc(CN3CCC(F)(F)CC3)c2c1 ZINC001137333408 1130400402 /nfs/dbraw/zinc/40/04/02/1130400402.db2.gz FOWGPJNBITUDIN-UHFFFAOYSA-N 0 1 268.282 3.538 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2NCC(C)(C)C)C[C@@H](C)O1 ZINC000678344615 1130406878 /nfs/dbraw/zinc/40/68/78/1130406878.db2.gz QQJJUDIZDBVWOH-HUUCEWRRSA-N 0 1 290.451 3.754 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1cc(F)c(F)c(F)c1 ZINC000678362617 1130409274 /nfs/dbraw/zinc/40/92/74/1130409274.db2.gz IXULROYNFQFITM-SNVBAGLBSA-N 0 1 280.293 3.658 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H](C)c1ccccc1F ZINC000678427817 1130416414 /nfs/dbraw/zinc/41/64/14/1130416414.db2.gz PFTSRSAXVOZUQR-STQMWFEESA-N 0 1 258.340 3.941 20 0 CHADMN CCC1(O)CCC(NCc2csc(C(C)(C)C)n2)CC1 ZINC000678498464 1130424001 /nfs/dbraw/zinc/42/40/01/1130424001.db2.gz WUIQRLPLHQPOLO-UHFFFAOYSA-N 0 1 296.480 3.614 20 0 CHADMN Cc1cccnc1CNC1(c2ccc(F)cc2)CCC1 ZINC000678522916 1130425567 /nfs/dbraw/zinc/42/55/67/1130425567.db2.gz GMDDLEBKJZBNIY-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN CCC[C@@H](N[C@H](C)c1cnccc1C)c1ccccn1 ZINC000678544157 1130426250 /nfs/dbraw/zinc/42/62/50/1130426250.db2.gz MEJSLCHFGSSIHS-RHSMWYFYSA-N 0 1 269.392 3.977 20 0 CHADMN COc1ccc(C)cc1CN[C@H](C)c1ccc(C)nc1C ZINC000678582011 1130430887 /nfs/dbraw/zinc/43/08/87/1130430887.db2.gz KHQWUVUCYSSXMB-CQSZACIVSA-N 0 1 284.403 3.866 20 0 CHADMN Cc1cc(-c2ccc3nc(C(F)(F)F)[nH]c3c2)ccn1 ZINC001240717014 1130436139 /nfs/dbraw/zinc/43/61/39/1130436139.db2.gz NKXZPBPWRKXIEL-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H]1C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000792178808 1130436318 /nfs/dbraw/zinc/43/63/18/1130436318.db2.gz FWJZAAUYRBPKEG-KWBADKCTSA-N 0 1 291.782 3.839 20 0 CHADMN Cc1cc(-c2cc(F)c(CN3CCCC3)c(F)c2)ccn1 ZINC001240721236 1130438389 /nfs/dbraw/zinc/43/83/89/1130438389.db2.gz JFANVVRKDFIZMI-UHFFFAOYSA-N 0 1 288.341 3.931 20 0 CHADMN Cc1ccc([C@@H](NCc2ccc(F)cn2)C2CC2)cc1 ZINC000678688669 1130446022 /nfs/dbraw/zinc/44/60/22/1130446022.db2.gz PWXIZIMBECENCF-QGZVFWFLSA-N 0 1 270.351 3.770 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc3ccccc32)nn1C ZINC000678728478 1130447839 /nfs/dbraw/zinc/44/78/39/1130447839.db2.gz HPPMKSIAJQDABQ-AWEZNQCLSA-N 0 1 279.387 3.733 20 0 CHADMN C[C@H]1CCc2ccccc2[C@@H]1NCc1ccc(F)cn1 ZINC000678770892 1130452096 /nfs/dbraw/zinc/45/20/96/1130452096.db2.gz WCSGZQAWLADLQZ-YVEFUNNKSA-N 0 1 270.351 3.634 20 0 CHADMN O=C(OCCCCc1ccccc1)c1ccc2cncn2c1 ZINC000792552714 1130453860 /nfs/dbraw/zinc/45/38/60/1130453860.db2.gz WJMWEKLCJNACQB-UHFFFAOYSA-N 0 1 294.354 3.514 20 0 CHADMN CCCCCc1cc(C(=O)N2CCC[C@@H](CCC)C2)n[nH]1 ZINC001137350225 1130455422 /nfs/dbraw/zinc/45/54/22/1130455422.db2.gz GCYOQIDXKQNZGS-CQSZACIVSA-N 0 1 291.439 3.795 20 0 CHADMN Cc1cccc2nc(CNC(C)(C)c3ccc(F)cc3)cn21 ZINC000103482792 1130460099 /nfs/dbraw/zinc/46/00/99/1130460099.db2.gz MVFYJPBKCYSYDQ-UHFFFAOYSA-N 0 1 297.377 3.807 20 0 CHADMN Nc1cc(-c2ccc3c(c2)CCCO3)ncc1C(F)(F)F ZINC001240771962 1130464684 /nfs/dbraw/zinc/46/46/84/1130464684.db2.gz KNBNLZAPNSOQSQ-UHFFFAOYSA-N 0 1 294.276 3.675 20 0 CHADMN Cc1nc2cccc(-c3ccc4c(c3)CCCO4)c2[nH]1 ZINC001240773802 1130466398 /nfs/dbraw/zinc/46/63/98/1130466398.db2.gz XAFCJOZDPJINQA-UHFFFAOYSA-N 0 1 264.328 3.863 20 0 CHADMN Cc1ccc(-c2cc(N)c(C)cn2)c(OC(C)C)c1 ZINC001243420991 1130466557 /nfs/dbraw/zinc/46/65/57/1130466557.db2.gz OBWRACYSUZCJHF-UHFFFAOYSA-N 0 1 256.349 3.735 20 0 CHADMN CCO[C@@H](C)c1noc(CN[C@@H](CC)C2CCCCC2)n1 ZINC000678895729 1130467651 /nfs/dbraw/zinc/46/76/51/1130467651.db2.gz UAGKSSGJVIBBMW-JSGCOSHPSA-N 0 1 295.427 3.616 20 0 CHADMN CC(C)C(NCc1noc(-c2ccsc2)n1)C(C)C ZINC000678899943 1130469556 /nfs/dbraw/zinc/46/95/56/1130469556.db2.gz WNQJCJJIRUPMBP-UHFFFAOYSA-N 0 1 279.409 3.568 20 0 CHADMN C[C@H](Cc1ccccc1Cl)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001170276005 1130473183 /nfs/dbraw/zinc/47/31/83/1130473183.db2.gz LIKAWOTUSUJDIH-HTUGSXCWSA-N 0 1 267.775 3.561 20 0 CHADMN C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccsc1 ZINC000679583387 1130544170 /nfs/dbraw/zinc/54/41/70/1130544170.db2.gz FPRNKHKMBVLVKM-KOLCDFICSA-N 0 1 263.328 3.911 20 0 CHADMN C[C@@H](Nc1ccnc2cc(F)ccc21)[C@H]1CCCCO1 ZINC000679004035 1130482659 /nfs/dbraw/zinc/48/26/59/1130482659.db2.gz FYISIAMPHKWQBA-BDJLRTHQSA-N 0 1 274.339 3.743 20 0 CHADMN C[C@H](Nc1ccnc2cc(F)ccc21)[C@@H]1CCCCO1 ZINC000679004043 1130482907 /nfs/dbraw/zinc/48/29/07/1130482907.db2.gz FYISIAMPHKWQBA-ZBEGNZNMSA-N 0 1 274.339 3.743 20 0 CHADMN FC(F)(F)c1ccc(-c2cc(-n3ccnc3)ccn2)cc1 ZINC001240819188 1130484619 /nfs/dbraw/zinc/48/46/19/1130484619.db2.gz BSDNKVMGXFDNAR-UHFFFAOYSA-N 0 1 289.260 3.953 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1ccc(C(F)(F)F)cc1 ZINC001240820909 1130485565 /nfs/dbraw/zinc/48/55/65/1130485565.db2.gz NGLSCBFXZPQGIA-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN Cn1ccc2c1nccc2NC1CC(C)(C)OC(C)(C)C1 ZINC001170362798 1130485581 /nfs/dbraw/zinc/48/55/81/1130485581.db2.gz KOOPGFRZFSROCC-UHFFFAOYSA-N 0 1 287.407 3.721 20 0 CHADMN C=Cc1cc(C)c2c(n1)CCN(Cc1ccccc1)C2 ZINC001240827245 1130487673 /nfs/dbraw/zinc/48/76/73/1130487673.db2.gz UPTPIECCWTXLHL-UHFFFAOYSA-N 0 1 264.372 3.591 20 0 CHADMN COc1cccc(C2(N[C@@H](C)c3cnc(C)s3)CC2)c1 ZINC000679062462 1130488364 /nfs/dbraw/zinc/48/83/64/1130488364.db2.gz GZIDGMCKQDEPOJ-NSHDSACASA-N 0 1 288.416 3.800 20 0 CHADMN COCC1(N[C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000679074502 1130491581 /nfs/dbraw/zinc/49/15/81/1130491581.db2.gz SJKKJAVPRXZSLN-LBPRGKRZSA-N 0 1 286.202 3.749 20 0 CHADMN C[N@H+]1CC[C@H](c2ccc(-c3ccc(C(=O)[O-])s3)cc2)C1 ZINC001240849960 1130493080 /nfs/dbraw/zinc/49/30/80/1130493080.db2.gz ZNTYNEJZNVAUOL-ZDUSSCGKSA-N 0 1 287.384 3.532 20 0 CHADMN CSc1cccc(-c2ccc(N3CCN(C)CC3)cc2)c1 ZINC001240851851 1130493489 /nfs/dbraw/zinc/49/34/89/1130493489.db2.gz ALUGNALNKIXQNJ-UHFFFAOYSA-N 0 1 298.455 3.827 20 0 CHADMN Fc1ccc2c(c1)[C@H](Nc1cnn(-c3ccncc3)c1)CC2 ZINC000679128103 1130495035 /nfs/dbraw/zinc/49/50/35/1130495035.db2.gz RZMRXJVZHZHQCN-QGZVFWFLSA-N 0 1 294.333 3.506 20 0 CHADMN COc1ccc(-c2cc3[nH]cnc3cc2C)cc1C ZINC001240863952 1130495865 /nfs/dbraw/zinc/49/58/65/1130495865.db2.gz CFLDEEOQMCJARB-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN CC[C@H](Nc1ccccc1CN1CCSCC1)C1CC1 ZINC000679143095 1130498154 /nfs/dbraw/zinc/49/81/54/1130498154.db2.gz QAAVKSSDOPAGGK-INIZCTEOSA-N 0 1 290.476 3.836 20 0 CHADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1CCCCCF ZINC000792866923 1130501994 /nfs/dbraw/zinc/50/19/94/1130501994.db2.gz LXXIHPBOEYZHAA-HLLBOEOZSA-N 0 1 279.399 3.977 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@@H](C)c1ccccc1OC(C)C ZINC000679334056 1130516031 /nfs/dbraw/zinc/51/60/31/1130516031.db2.gz GDYLKCNHQFTRGG-STQMWFEESA-N 0 1 287.407 3.917 20 0 CHADMN C[C@H]1CCN(Cc2ccc(OCC(F)F)cc2)C[C@H]1F ZINC000679358883 1130519664 /nfs/dbraw/zinc/51/96/64/1130519664.db2.gz NNZLWFSLTFTNAW-SMDDNHRTSA-N 0 1 287.325 3.510 20 0 CHADMN CC[C@@H](C)n1ncc(N[C@H](C)c2cn[nH]c2C)c1C1CC1 ZINC000679364403 1130522787 /nfs/dbraw/zinc/52/27/87/1130522787.db2.gz CYOAMWUIFBDWIH-GHMZBOCLSA-N 0 1 287.411 3.936 20 0 CHADMN Oc1ccc(CN[C@H](c2ccccc2)c2cccnc2)cc1 ZINC000679384020 1130524729 /nfs/dbraw/zinc/52/47/29/1130524729.db2.gz CJQWBEJQNNVLHP-LJQANCHMSA-N 0 1 290.366 3.666 20 0 CHADMN CC(C)OC(=O)c1cccc(-c2ccc3nc[nH]c3c2)c1 ZINC001240946327 1130528870 /nfs/dbraw/zinc/52/88/70/1130528870.db2.gz OWJZJGNASZEVOA-UHFFFAOYSA-N 0 1 280.327 3.795 20 0 CHADMN Cc1c[nH]c2ncc(-c3cc(N4CCCCC4)ccn3)cc12 ZINC001240949166 1130530817 /nfs/dbraw/zinc/53/08/17/1130530817.db2.gz JJDAAXYFSYZJJR-UHFFFAOYSA-N 0 1 292.386 3.924 20 0 CHADMN CC(C)(N[C@H]1CCC[C@@H](C(F)(F)F)C1)C(F)F ZINC000793255951 1130536438 /nfs/dbraw/zinc/53/64/38/1130536438.db2.gz WSMHNNAKKLASRP-SFYZADRCSA-N 0 1 259.262 3.741 20 0 CHADMN CCc1noc(C)c1CN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679542795 1130537208 /nfs/dbraw/zinc/53/72/08/1130537208.db2.gz RYMNYXYRLILIFX-KOLCDFICSA-N 0 1 290.329 3.708 20 0 CHADMN Fc1ncccc1CNCc1ccc2ccccc2c1 ZINC000793283453 1130537505 /nfs/dbraw/zinc/53/75/05/1130537505.db2.gz GKEIETCQIAHVMT-UHFFFAOYSA-N 0 1 266.319 3.664 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@H](C)c1cnccc1C ZINC000679575768 1130540932 /nfs/dbraw/zinc/54/09/32/1130540932.db2.gz SZRAOCWUSMXLIT-ZIAGYGMSSA-N 0 1 269.392 3.759 20 0 CHADMN C=Cc1ccc(CNc2ccc3c(n2)CCC3)cc1 ZINC001157771571 1130541591 /nfs/dbraw/zinc/54/15/91/1130541591.db2.gz UJBLWYSVCONYRQ-UHFFFAOYSA-N 0 1 250.345 3.825 20 0 CHADMN CN(Cc1cccnc1Cl)[C@H]1CCC(C)(C)C1 ZINC000793353309 1130543637 /nfs/dbraw/zinc/54/36/37/1130543637.db2.gz RQOLNVLEOOBYFV-LBPRGKRZSA-N 0 1 252.789 3.746 20 0 CHADMN CCN(Cc1cc(C)ccc1Br)C(C)C ZINC001137380216 1130545644 /nfs/dbraw/zinc/54/56/44/1130545644.db2.gz CWFJZSMGXRBLFP-UHFFFAOYSA-N 0 1 270.214 3.988 20 0 CHADMN CCCN(C)Cc1cc(C)ccc1Br ZINC001137380401 1130546768 /nfs/dbraw/zinc/54/67/68/1130546768.db2.gz KIEISBBUNJRMDV-UHFFFAOYSA-N 0 1 256.187 3.599 20 0 CHADMN CN(Cc1c(Cl)nc2ccccn21)[C@H]1CCC(C)(C)C1 ZINC000793352061 1130549605 /nfs/dbraw/zinc/54/96/05/1130549605.db2.gz MWEPHKOBMSMIBC-LBPRGKRZSA-N 0 1 291.826 3.998 20 0 CHADMN CC1(C(=O)Nc2ccn(-c3ccncc3)n2)CCCCCC1 ZINC000679656641 1130550003 /nfs/dbraw/zinc/55/00/03/1130550003.db2.gz DLUZVWBADXBBLT-UHFFFAOYSA-N 0 1 298.390 3.566 20 0 CHADMN CSc1ccccc1CN1CCC[C@@H](OC(F)F)C1 ZINC000679683043 1130552103 /nfs/dbraw/zinc/55/21/03/1130552103.db2.gz WFQXQNFPLVFGSR-GFCCVEGCSA-N 0 1 287.375 3.612 20 0 CHADMN Clc1nc2ccccn2c1CN(CC1CC1)C1CCC1 ZINC000793393116 1130552117 /nfs/dbraw/zinc/55/21/17/1130552117.db2.gz CKZVTWJPGYKWHM-UHFFFAOYSA-N 0 1 289.810 3.752 20 0 CHADMN Cc1cc([C@H]2CCCN2C[C@H]2CCC(F)(F)C2)no1 ZINC000827331523 1130559167 /nfs/dbraw/zinc/55/91/67/1130559167.db2.gz ACLXCBCGWVIDKT-WCQYABFASA-N 0 1 270.323 3.555 20 0 CHADMN C[C@@]1(CN2CCc3sccc3C2)CC1(Cl)Cl ZINC000827342016 1130561053 /nfs/dbraw/zinc/56/10/53/1130561053.db2.gz CFWLPFPWUSDDTI-NSHDSACASA-N 0 1 276.232 3.690 20 0 CHADMN CSc1ccccc1CN[C@H](C)c1cnccc1C ZINC000679944216 1130563795 /nfs/dbraw/zinc/56/37/95/1130563795.db2.gz LGXIUCCQJDMOET-CYBMUJFWSA-N 0 1 272.417 3.963 20 0 CHADMN COc1cccc(F)c1-c1cc2nc[nH]c2c(C)c1 ZINC001241011188 1130564913 /nfs/dbraw/zinc/56/49/13/1130564913.db2.gz ARAVCKSMZADUJX-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@@H](C)c2cc(C)nn2C)c1 ZINC000793529793 1130571633 /nfs/dbraw/zinc/57/16/33/1130571633.db2.gz VGCBZDIDSBPEFG-KGLIPLIRSA-N 0 1 287.407 3.539 20 0 CHADMN CN(Cc1ccsc1)Cc1c[nH]c(=O)c2ccccc12 ZINC001233999859 1130596775 /nfs/dbraw/zinc/59/67/75/1130596775.db2.gz STHNXXXYBPKHBE-UHFFFAOYSA-N 0 1 284.384 3.634 20 0 CHADMN Cc1cc(O[C@H]2CN3CCC2CC3)c(Cl)cc1Cl ZINC001234059985 1130604597 /nfs/dbraw/zinc/60/45/97/1130604597.db2.gz WGAMWXQKQMDJNH-AWEZNQCLSA-N 0 1 286.202 3.775 20 0 CHADMN CCCN(Cc1c(Cl)nccc1N(C)C)[C@@H](C)CC ZINC001234095743 1130608206 /nfs/dbraw/zinc/60/82/06/1130608206.db2.gz LQUDOYOWXRVJQM-LBPRGKRZSA-N 0 1 283.847 3.812 20 0 CHADMN C[C@H](NCc1cscc1C(F)(F)F)c1ccc[nH]1 ZINC000811485535 1130611583 /nfs/dbraw/zinc/61/15/83/1130611583.db2.gz OYPRRILZABCVFI-QMMMGPOBSA-N 0 1 274.311 3.946 20 0 CHADMN Cc1cc(CN2CC(C)(C)[C@H]2C2CC2)cc(Cl)n1 ZINC000811513429 1130618426 /nfs/dbraw/zinc/61/84/26/1130618426.db2.gz HWXMQKPPCPNLTD-CQSZACIVSA-N 0 1 264.800 3.664 20 0 CHADMN CCCCn1nc(C)c(CNC2CC(F)(F)C2)c1Cl ZINC000758595576 1130618612 /nfs/dbraw/zinc/61/86/12/1130618612.db2.gz ABTJBWLXGGOEDF-UHFFFAOYSA-N 0 1 291.773 3.532 20 0 CHADMN COc1cccc2cc(CN3CCC(F)(F)[C@@H](C)C3)oc21 ZINC000811513030 1130618849 /nfs/dbraw/zinc/61/88/49/1130618849.db2.gz VFMVZEGYUXGAIK-NSHDSACASA-N 0 1 295.329 3.919 20 0 CHADMN CSc1cccc(F)c1O[C@H]1CCCN(C(C)C)C1 ZINC001234251497 1130623723 /nfs/dbraw/zinc/62/37/23/1130623723.db2.gz ZHSQJNZLBSFWPH-LBPRGKRZSA-N 0 1 283.412 3.799 20 0 CHADMN CC(C)[C@@H]1CCN1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000759068585 1130635034 /nfs/dbraw/zinc/63/50/34/1130635034.db2.gz FQKVASOGXWYSKC-UONOGXRCSA-N 0 1 288.218 3.757 20 0 CHADMN C[C@H](CN(C)Cc1ccc(Cl)cc1)C(F)(F)F ZINC000441179196 1130638473 /nfs/dbraw/zinc/63/84/73/1130638473.db2.gz UWWMNHDVFZDXQE-SECBINFHSA-N 0 1 265.706 3.970 20 0 CHADMN Cc1cc(C(F)(F)F)nn1CN1C[C@@H](C)CCC[C@H]1C ZINC000811753821 1130643154 /nfs/dbraw/zinc/64/31/54/1130643154.db2.gz YKZHRRTYSBTNGM-WDEREUQCSA-N 0 1 289.345 3.678 20 0 CHADMN C[C@H](NCc1cccc(F)n1)c1ccc(OC(F)F)cc1 ZINC000747744378 1130648294 /nfs/dbraw/zinc/64/82/94/1130648294.db2.gz MQCPWRGTWBYXHN-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN C[C@H](NCc1cccc(F)n1)c1cccc(Cl)c1 ZINC000747744216 1130648384 /nfs/dbraw/zinc/64/83/84/1130648384.db2.gz KVRWSGIEAHULMG-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN O[C@@H](CN1CC2(CCC2)[C@@H]1C1CC1)c1cccc(Cl)c1 ZINC000811821415 1130650678 /nfs/dbraw/zinc/65/06/78/1130650678.db2.gz DYQVJKSODGROGA-HOTGVXAUSA-N 0 1 291.822 3.638 20 0 CHADMN COCCN(CCF)[C@H](C)c1ccc(C(C)C)cc1 ZINC000759330560 1130651491 /nfs/dbraw/zinc/65/14/91/1130651491.db2.gz NNQMNSIDRMMXRM-CQSZACIVSA-N 0 1 267.388 3.789 20 0 CHADMN CC(C)C[C@@H]1CCCN(Cc2ccc(Cl)nc2)C1 ZINC000759390410 1130654517 /nfs/dbraw/zinc/65/45/17/1130654517.db2.gz CZYQDJNCDPQIFR-ZDUSSCGKSA-N 0 1 266.816 3.993 20 0 CHADMN CCOc1ccc(C)c(-c2cc(N(C)C)ccn2)c1 ZINC001244866837 1130667901 /nfs/dbraw/zinc/66/79/01/1130667901.db2.gz ABHIWBGIQOGUOY-UHFFFAOYSA-N 0 1 256.349 3.522 20 0 CHADMN COc1ccc(CN2CCC(C)(F)CC2)c(OC(C)C)c1 ZINC001234689886 1130673688 /nfs/dbraw/zinc/67/36/88/1130673688.db2.gz ZUUBPIZNMUVYOS-UHFFFAOYSA-N 0 1 295.398 3.806 20 0 CHADMN CCCCc1ccc(N(C)Cc2cn[nH]c2C)cc1 ZINC000780779999 1130691728 /nfs/dbraw/zinc/69/17/28/1130691728.db2.gz GMHKLSKKWYNDQN-UHFFFAOYSA-N 0 1 257.381 3.697 20 0 CHADMN CC(C)[N@H+]1CC[C@H](Oc2cc(Cl)cc(Cl)c2F)C1 ZINC001234932017 1130693456 /nfs/dbraw/zinc/69/34/56/1130693456.db2.gz ZRVGLIMLDJSBOV-JTQLQIEISA-N 0 1 292.181 3.994 20 0 CHADMN Cc1nc(CN2CCC(C(C)C)CC2)c(C)s1 ZINC000336698326 1130694769 /nfs/dbraw/zinc/69/47/69/1130694769.db2.gz VZGQNJICSLUSLV-UHFFFAOYSA-N 0 1 252.427 3.628 20 0 CHADMN CC/C(C)=C(\C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000780961552 1130696739 /nfs/dbraw/zinc/69/67/39/1130696739.db2.gz XXHFQRHLXCOCPE-VAWYXSNFSA-N 0 1 278.371 3.572 20 0 CHADMN CC/C(C)=C(\C)C(=O)Nc1cccc(Cl)c1O ZINC000780995050 1130698979 /nfs/dbraw/zinc/69/89/79/1130698979.db2.gz ZTQZLUSNZIYNGD-CMDGGOBGSA-N 0 1 253.729 3.731 20 0 CHADMN Cc1cc(Cl)ncc1-c1ccc2nc[nH]c2c1C ZINC001244917339 1130708140 /nfs/dbraw/zinc/70/81/40/1130708140.db2.gz QMYYGIYQXHDIMY-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN FC1(F)CC2(CN(Cc3cccc(N4CCCC4)c3)C2)C1 ZINC001235084625 1130709340 /nfs/dbraw/zinc/70/93/40/1130709340.db2.gz AHYCEMUXTILJAA-UHFFFAOYSA-N 0 1 292.373 3.518 20 0 CHADMN F[C@@H]1CCCC[N@@H+](Cc2cccc(N3CCCC3)c2)C1 ZINC001235083384 1130709704 /nfs/dbraw/zinc/70/97/04/1130709704.db2.gz CDADREIKDZBRMM-MRXNPFEDSA-N 0 1 276.399 3.611 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@H](C)[C@@H]2C)c(F)c1 ZINC001235200386 1130722181 /nfs/dbraw/zinc/72/21/81/1130722181.db2.gz FFYMLPVXCIZKIX-RYUDHWBXSA-N 0 1 253.336 3.894 20 0 CHADMN CCN(Cc1cc2cccc(F)c2[nH]1)Cc1ccncc1 ZINC001235234944 1130725787 /nfs/dbraw/zinc/72/57/87/1130725787.db2.gz QXZQGTFQJJDHIS-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN CC(C)N(Cc1cc(F)c(F)c(F)c1F)CC1CC1 ZINC001235355101 1130735295 /nfs/dbraw/zinc/73/52/95/1130735295.db2.gz QSJKZGQISZADRM-UHFFFAOYSA-N 0 1 275.289 3.863 20 0 CHADMN CCOc1cc(O)cc(CN2CCc3ccccc3[C@H]2C)c1 ZINC001235388018 1130736970 /nfs/dbraw/zinc/73/69/70/1130736970.db2.gz XPQQJHNPSVKGLI-CQSZACIVSA-N 0 1 297.398 3.910 20 0 CHADMN CCC1CCN(Cc2c(C)cncc2Br)CC1 ZINC001235646378 1130762362 /nfs/dbraw/zinc/76/23/62/1130762362.db2.gz XYXGKTKZCHLWGZ-UHFFFAOYSA-N 0 1 297.240 3.775 20 0 CHADMN COc1cncc(CN2CC=C(c3ccccc3)CC2)c1C ZINC001235471027 1130747621 /nfs/dbraw/zinc/74/76/21/1130747621.db2.gz OSCQGFAXMXWHOC-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN Cc1cc(Cl)cc(CN(C)Cc2cccnc2C)c1 ZINC001235536531 1130753592 /nfs/dbraw/zinc/75/35/92/1130753592.db2.gz FNJYCMQAFKCJCQ-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN OC[C@H](NCc1ccc(CF)cc1)c1ccc(Cl)cc1 ZINC000782087563 1130754586 /nfs/dbraw/zinc/75/45/86/1130754586.db2.gz HBSWOYYYUKIXJC-INIZCTEOSA-N 0 1 293.769 3.633 20 0 CHADMN Cc1ccnc(CN2CCC3(CCC3)CC2)c1Cl ZINC001235578066 1130756540 /nfs/dbraw/zinc/75/65/40/1130756540.db2.gz ZOFUWGZNJZACSG-UHFFFAOYSA-N 0 1 264.800 3.810 20 0 CHADMN C[C@H]1CN(Cc2ccccc2-c2ccncc2)CCCC1=O ZINC001235613182 1130758367 /nfs/dbraw/zinc/75/83/67/1130758367.db2.gz SOVRNKZCBGYOTJ-HNNXBMFYSA-N 0 1 294.398 3.550 20 0 CHADMN CCn1cc(CN(C)[C@@H]2CCc3cc(Cl)ccc32)cn1 ZINC000782181396 1130758763 /nfs/dbraw/zinc/75/87/63/1130758763.db2.gz GPHIVKBASJHFTA-MRXNPFEDSA-N 0 1 289.810 3.676 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1ccccc1-c1ccncc1 ZINC001235621847 1130759313 /nfs/dbraw/zinc/75/93/13/1130759313.db2.gz VZEWULUYWMPHFK-LJQANCHMSA-N 0 1 294.398 3.692 20 0 CHADMN Cc1cncc(Br)c1CN1CC[C@H](C)C[C@H]1C ZINC001235647828 1130761151 /nfs/dbraw/zinc/76/11/51/1130761151.db2.gz SOXAOBYKPLHQPI-CMPLNLGQSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1cc2nc(C)nc(-c3cc(Cl)ccc3O)c2[nH]1 ZINC001245049559 1130774168 /nfs/dbraw/zinc/77/41/68/1130774168.db2.gz YGXPUHRPPAISLU-UHFFFAOYSA-N 0 1 273.723 3.601 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@H]2C)c1Br ZINC001235762216 1130776821 /nfs/dbraw/zinc/77/68/21/1130776821.db2.gz NUMRFNNNNWFRRQ-SNVBAGLBSA-N 0 1 286.188 3.881 20 0 CHADMN Cc1ccc(F)cc1CN1CC[C@H](C(F)(F)F)C1 ZINC000782523437 1130781423 /nfs/dbraw/zinc/78/14/23/1130781423.db2.gz WBCFNFXCSGFELN-NSHDSACASA-N 0 1 261.262 3.518 20 0 CHADMN CCOc1cc(C[N@H+]2CCC[C@H](CC)C2)ccc1F ZINC001235803723 1130781825 /nfs/dbraw/zinc/78/18/25/1130781825.db2.gz SUFQUECTOGQRMJ-ZDUSSCGKSA-N 0 1 265.372 3.846 20 0 CHADMN Cc1nc(F)ccc1CN(C)C/C=C/c1ccccc1 ZINC001235817891 1130781927 /nfs/dbraw/zinc/78/19/27/1130781927.db2.gz TUEMNOWEIXDTOO-RMKNXTFCSA-N 0 1 270.351 3.674 20 0 CHADMN CCCCN(CCCC)Cc1c(N)ccnc1Cl ZINC001235834063 1130784520 /nfs/dbraw/zinc/78/45/20/1130784520.db2.gz JVPDLTKEGWBDMR-UHFFFAOYSA-N 0 1 269.820 3.719 20 0 CHADMN Cc1nc2cc(CN(C)Cc3cccnc3C)ccc2s1 ZINC001235857737 1130789439 /nfs/dbraw/zinc/78/94/39/1130789439.db2.gz JSFCKNCSRIZGAR-UHFFFAOYSA-N 0 1 297.427 3.940 20 0 CHADMN Fc1cc(CN2C[C@H]3[C@H](CCC3(F)F)C2)ccc1Cl ZINC001137650005 1130791233 /nfs/dbraw/zinc/79/12/33/1130791233.db2.gz ZELZICOFJLMXBZ-MNOVXSKESA-N 0 1 289.728 3.956 20 0 CHADMN CN(C)c1ccc(N[C@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000813864833 1130791328 /nfs/dbraw/zinc/79/13/28/1130791328.db2.gz FDOINNHKIFIQDE-INIZCTEOSA-N 0 1 299.422 3.604 20 0 CHADMN C[C@H](NCc1ccc(CF)cc1)c1cncc(F)c1 ZINC000783004600 1130793289 /nfs/dbraw/zinc/79/32/89/1130793289.db2.gz AQSABUWEOBWFSJ-NSHDSACASA-N 0 1 262.303 3.541 20 0 CHADMN c1nnc([C@@H](Nc2cc(C3CC3)ccn2)C2CCCCC2)[nH]1 ZINC000813873394 1130793505 /nfs/dbraw/zinc/79/35/05/1130793505.db2.gz XXVHAGSYFVJJDY-INIZCTEOSA-N 0 1 297.406 3.811 20 0 CHADMN Fc1ccc2c(c1)CN(Cc1ccc3c(c1)NCCC3)CC2 ZINC001235905930 1130802509 /nfs/dbraw/zinc/80/25/09/1130802509.db2.gz HHOSMRRSLVMNBY-UHFFFAOYSA-N 0 1 296.389 3.742 20 0 CHADMN CC[C@@H](C(=O)O[C@@H](c1ccccc1)C(F)F)N(CC)CC ZINC000813974018 1130808116 /nfs/dbraw/zinc/80/81/16/1130808116.db2.gz MVHDRLVULIRGQC-KBPBESRZSA-N 0 1 299.361 3.656 20 0 CHADMN COc1ccc([C@H](NC[C@H]2CCC=CO2)c2ccco2)cc1 ZINC000783309338 1130815449 /nfs/dbraw/zinc/81/54/49/1130815449.db2.gz HXSAWGYWHMSNCJ-AEFFLSMTSA-N 0 1 299.370 3.660 20 0 CHADMN CCOCOc1ccc(CN(C)Cc2ccsc2)cc1 ZINC000783395176 1130820324 /nfs/dbraw/zinc/82/03/24/1130820324.db2.gz XVRHCXFCDNBGLR-UHFFFAOYSA-N 0 1 291.416 3.753 20 0 CHADMN Cc1nc2ccsc2c(-c2c(F)cc(F)c(O)c2F)n1 ZINC001235986017 1130823459 /nfs/dbraw/zinc/82/34/59/1130823459.db2.gz PEBBCECWKRXVGW-UHFFFAOYSA-N 0 1 296.273 3.790 20 0 CHADMN Cc1ccc([C@H](C)Nc2cccc(CN(C)C)n2)c(C)c1 ZINC001170725700 1130823942 /nfs/dbraw/zinc/82/39/42/1130823942.db2.gz FHWJVUAVENRNGY-HNNXBMFYSA-N 0 1 283.419 3.933 20 0 CHADMN CCSc1ccnc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235994971 1130825491 /nfs/dbraw/zinc/82/54/91/1130825491.db2.gz VBDLHGWMGQOQDU-UHFFFAOYSA-N 0 1 285.290 3.984 20 0 CHADMN Cc1cnc(-c2c(F)cc(F)c(O)c2F)c2[nH]ccc21 ZINC001235990996 1130825640 /nfs/dbraw/zinc/82/56/40/1130825640.db2.gz SSTOEQXWMLLMOA-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccnc(C(F)(F)F)c2)c1F ZINC001235999092 1130827212 /nfs/dbraw/zinc/82/72/12/1130827212.db2.gz XPYQKNQAFMKGLP-UHFFFAOYSA-N 0 1 293.166 3.890 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc(-c3nnco3)cc2)c1F ZINC001235998828 1130827553 /nfs/dbraw/zinc/82/75/53/1130827553.db2.gz PYEGIUMKPVODBP-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN CNc1cccc(-c2c(F)cc(F)c(O)c2F)c1C ZINC001236001082 1130828814 /nfs/dbraw/zinc/82/88/14/1130828814.db2.gz SRLCMLOHGURMMC-UHFFFAOYSA-N 0 1 267.250 3.827 20 0 CHADMN Cc1nc(F)ccc1CN1CC2(CCC2)[C@@H]1C(C)C ZINC000814171856 1130833460 /nfs/dbraw/zinc/83/34/60/1130833460.db2.gz WVWOBLWAKYLYRU-HNNXBMFYSA-N 0 1 262.372 3.540 20 0 CHADMN CC(C)=CCC[C@H](C)CCN(C)[C@H]1CC(C)(C)OC1=O ZINC000814179777 1130836759 /nfs/dbraw/zinc/83/67/59/1130836759.db2.gz HJDINDBCONKMSM-GJZGRUSLSA-N 0 1 281.440 3.785 20 0 CHADMN C[C@@H](CF)NCc1ccc(OCc2ccccc2F)cc1 ZINC000814299568 1130862396 /nfs/dbraw/zinc/86/23/96/1130862396.db2.gz VOVKQGBDVRPGPL-ZDUSSCGKSA-N 0 1 291.341 3.852 20 0 CHADMN Cc1cccc(Cl)c1CN1CCc2cc(N)ccc2C1 ZINC001236104624 1130864565 /nfs/dbraw/zinc/86/45/65/1130864565.db2.gz CZXCYOGNHKAIQD-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN Cc1cc(Cl)ccc1CN1CCc2cc(N)ccc2C1 ZINC001236106750 1130866289 /nfs/dbraw/zinc/86/62/89/1130866289.db2.gz XXBAYBCPAXOHCO-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN C[C@H](CC(=O)OCc1nnc(C(C)(C)C)[nH]1)CC(C)(C)C ZINC000814444734 1130875665 /nfs/dbraw/zinc/87/56/65/1130875665.db2.gz GVBUMTHBMDDXFH-LLVKDONJSA-N 0 1 295.427 3.608 20 0 CHADMN C[C@H](CC(=O)OCc1n[nH]c(C(C)(C)C)n1)CC(C)(C)C ZINC000814444734 1130875671 /nfs/dbraw/zinc/87/56/71/1130875671.db2.gz GVBUMTHBMDDXFH-LLVKDONJSA-N 0 1 295.427 3.608 20 0 CHADMN COc1cc(-c2ccc3nc[nH]c3c2C)cc(C)c1F ZINC001236190634 1130883154 /nfs/dbraw/zinc/88/31/54/1130883154.db2.gz NMYXHCRIHXUIPQ-UHFFFAOYSA-N 0 1 270.307 3.994 20 0 CHADMN CC[C@](C)(NCc1n[nH]c(C(C)(C)C)n1)c1ccccc1 ZINC000814629147 1130889030 /nfs/dbraw/zinc/88/90/30/1130889030.db2.gz IHEMMKCGBLSUSX-KRWDZBQOSA-N 0 1 286.423 3.517 20 0 CHADMN c1ccc2c(c1)cncc2C[N@H+](Cc1cccnc1)C1CC1 ZINC000784207879 1130890529 /nfs/dbraw/zinc/89/05/29/1130890529.db2.gz IMELOHVVFOHDAX-UHFFFAOYSA-N 0 1 289.382 3.794 20 0 CHADMN c1ccc2c(c1)cncc2CN(Cc1cccnc1)C1CC1 ZINC000784207879 1130890537 /nfs/dbraw/zinc/89/05/37/1130890537.db2.gz IMELOHVVFOHDAX-UHFFFAOYSA-N 0 1 289.382 3.794 20 0 CHADMN COc1cc(C)cc(F)c1-c1cc2nc[nH]c2c(C)c1 ZINC001236223474 1130896685 /nfs/dbraw/zinc/89/66/85/1130896685.db2.gz UVBBAISVLCGVEV-UHFFFAOYSA-N 0 1 270.307 3.994 20 0 CHADMN Cc1csc(CN2CCc3ccc(N)cc3C2)c1Cl ZINC001236230925 1130898728 /nfs/dbraw/zinc/89/87/28/1130898728.db2.gz DWGVULKHWYWOHF-UHFFFAOYSA-N 0 1 292.835 3.850 20 0 CHADMN CCOCSc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000814743626 1130906330 /nfs/dbraw/zinc/90/63/30/1130906330.db2.gz KNSHDSLHHJDUHT-UHFFFAOYSA-N 0 1 276.283 3.668 20 0 CHADMN CC1(C)[C@@H]2C[C@H](N3Cc4cnn(-c5ccccc5)c4C3)C[C@@H]21 ZINC001170763732 1130906741 /nfs/dbraw/zinc/90/67/41/1130906741.db2.gz CGWBEZDBORGHGH-BJWYYQGGSA-N 0 1 293.414 3.623 20 0 CHADMN CC(C)C(=O)Nc1ccc(-c2nccc3[nH]ccc32)cc1 ZINC001236257163 1130907050 /nfs/dbraw/zinc/90/70/50/1130907050.db2.gz FLRSMRKMYLLGKZ-UHFFFAOYSA-N 0 1 279.343 3.824 20 0 CHADMN FC(F)(F)[C@@H]1CC=C(c2cccc3[nH]nnc32)CC1 ZINC001236256376 1130907516 /nfs/dbraw/zinc/90/75/16/1130907516.db2.gz SUWDGOUHVFOWQS-SECBINFHSA-N 0 1 267.254 3.704 20 0 CHADMN CC1(C)[C@@H]2C[C@@H](N3CCc4ncc(Cl)cc4C3)C[C@@H]21 ZINC001170765930 1130914793 /nfs/dbraw/zinc/91/47/93/1130914793.db2.gz YUBDTMJNORXGAH-ZSOGYDGISA-N 0 1 276.811 3.528 20 0 CHADMN CCC[C@H](C(=O)c1ccccc1)N(C)Cc1cccc(N)c1 ZINC001236422292 1130937540 /nfs/dbraw/zinc/93/75/40/1130937540.db2.gz FFYITEYRTJGLOL-GOSISDBHSA-N 0 1 296.414 3.752 20 0 CHADMN CSCc1cccc(N[C@@H]2CCCc3[nH]ncc32)c1 ZINC000796918585 1130945748 /nfs/dbraw/zinc/94/57/48/1130945748.db2.gz MGOQFXBSLRLFOH-CQSZACIVSA-N 0 1 273.405 3.762 20 0 CHADMN CC[N@H+](Cc1ccoc1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815034005 1130953763 /nfs/dbraw/zinc/95/37/63/1130953763.db2.gz AJXAFPCZWDIJQD-OAHLLOKOSA-N 0 1 285.343 3.581 20 0 CHADMN CCN(Cc1ccoc1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815034005 1130953766 /nfs/dbraw/zinc/95/37/66/1130953766.db2.gz AJXAFPCZWDIJQD-OAHLLOKOSA-N 0 1 285.343 3.581 20 0 CHADMN CCOc1ncc(Cl)cc1-c1ccc2[nH]c(C)nc2c1 ZINC001236495755 1130957055 /nfs/dbraw/zinc/95/70/55/1130957055.db2.gz JXSUHFGNQHRWFD-UHFFFAOYSA-N 0 1 287.750 3.985 20 0 CHADMN Cc1ccc(-c2ccc(CN(C)C)c(F)c2)c2c[nH]nc21 ZINC001236506001 1130959047 /nfs/dbraw/zinc/95/90/47/1130959047.db2.gz KBEWFBJXPBDDQF-UHFFFAOYSA-N 0 1 283.350 3.739 20 0 CHADMN FC[C@@H]1CCCN(Cc2ccc(Cl)c(F)c2)C1 ZINC001137653330 1130991944 /nfs/dbraw/zinc/99/19/44/1130991944.db2.gz JPDJSAFTYGUMNY-NSHDSACASA-N 0 1 259.727 3.661 20 0 CHADMN Cc1cc(C)c(Cl)c(-c2ccc3[nH]nnc3c2)c1 ZINC001236547940 1130972540 /nfs/dbraw/zinc/97/25/40/1130972540.db2.gz FFFFVGOQGYGWEY-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN Cc1cc(C)c(Cl)c(-c2cncc3nc[nH]c32)c1 ZINC001236549710 1130973011 /nfs/dbraw/zinc/97/30/11/1130973011.db2.gz XXHUTKACBGURSS-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN Cc1cc(OC(C)C)ncc1-c1cncc2cc[nH]c21 ZINC001236579711 1130979343 /nfs/dbraw/zinc/97/93/43/1130979343.db2.gz FAEPVBGUCHSJHU-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1oc(C)nc1C ZINC001236593654 1130982656 /nfs/dbraw/zinc/98/26/56/1130982656.db2.gz HTGNOOQKHKNGQF-HNNXBMFYSA-N 0 1 258.365 3.875 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(Cl)cc(C)n2)C1 ZINC001236644792 1130989077 /nfs/dbraw/zinc/98/90/77/1130989077.db2.gz XLRAHCBESQCTPO-GFCCVEGCSA-N 0 1 252.789 3.665 20 0 CHADMN C[N@@H+](Cc1ccc(F)c([O-])c1)CC1CCCCC1 ZINC001236707046 1130995281 /nfs/dbraw/zinc/99/52/81/1130995281.db2.gz CKLNUHOCCBLHMN-UHFFFAOYSA-N 0 1 251.345 3.543 20 0 CHADMN C[N@H+](Cc1ccc(F)c([O-])c1)CC1CCCCC1 ZINC001236707046 1130995285 /nfs/dbraw/zinc/99/52/85/1130995285.db2.gz CKLNUHOCCBLHMN-UHFFFAOYSA-N 0 1 251.345 3.543 20 0 CHADMN CCOc1ncc(CN2CCC23CCCCC3)cc1F ZINC001236692719 1130995448 /nfs/dbraw/zinc/99/54/48/1130995448.db2.gz PUEIIORPJQWJFW-UHFFFAOYSA-N 0 1 278.371 3.528 20 0 CHADMN CCCO[C@H]1CCCN(Cc2cc(C)nc(Cl)c2)CC1 ZINC000797590637 1130996212 /nfs/dbraw/zinc/99/62/12/1130996212.db2.gz GKGHYMXLXDCTNA-HNNXBMFYSA-N 0 1 296.842 3.825 20 0 CHADMN CN(C)c1ccc(Br)cc1CN1CCCCC1 ZINC001236696150 1130996312 /nfs/dbraw/zinc/99/63/12/1130996312.db2.gz MZXXFNNJZBCYGA-UHFFFAOYSA-N 0 1 297.240 3.501 20 0 CHADMN Cc1cc(CN[C@H]2CCc3ccc(F)cc32)cc(Cl)n1 ZINC000797599966 1130997317 /nfs/dbraw/zinc/99/73/17/1130997317.db2.gz ABLWZBPEHHESAP-HNNXBMFYSA-N 0 1 290.769 3.960 20 0 CHADMN Cc1c(F)ccc(CN2CC[C@H]3OCCC[C@H]3C2)c1Cl ZINC001236708896 1130997772 /nfs/dbraw/zinc/99/77/72/1130997772.db2.gz RYDBCJARWVACLY-SWLSCSKDSA-N 0 1 297.801 3.788 20 0 CHADMN CC[N@H+](Cc1ccc(C)cc1)Cc1ccc(F)c([O-])c1 ZINC001236707876 1130998009 /nfs/dbraw/zinc/99/80/09/1130998009.db2.gz LSKSKOZPEBMEFF-UHFFFAOYSA-N 0 1 273.351 3.862 20 0 CHADMN Cc1cc(CN[C@H](C)c2cnccc2C)cc(Cl)n1 ZINC000797600732 1130997993 /nfs/dbraw/zinc/99/79/93/1130997993.db2.gz DIDWTAURWORVKT-GFCCVEGCSA-N 0 1 275.783 3.598 20 0 CHADMN CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(F)c([O-])c1 ZINC001236707876 1130998013 /nfs/dbraw/zinc/99/80/13/1130998013.db2.gz LSKSKOZPEBMEFF-UHFFFAOYSA-N 0 1 273.351 3.862 20 0 CHADMN Cc1c(F)ccc(CN2CC[C@H](OC(C)C)C2)c1Cl ZINC001236717426 1130999209 /nfs/dbraw/zinc/99/92/09/1130999209.db2.gz FGAAOTOKRSCXLH-ZDUSSCGKSA-N 0 1 285.790 3.787 20 0 CHADMN CO[C@@H]1CCN(Cc2ccc(F)c(C)c2Cl)[C@@H](C)C1 ZINC001236716225 1130999224 /nfs/dbraw/zinc/99/92/24/1130999224.db2.gz UPZZXAJSLWIODN-GXFFZTMASA-N 0 1 285.790 3.787 20 0 CHADMN CC[N@@H+](Cc1ccccn1)Cc1cccc2occc21 ZINC001236736847 1131003214 /nfs/dbraw/zinc/00/32/14/1131003214.db2.gz HZXINZOLJNCRFO-UHFFFAOYSA-N 0 1 266.344 3.850 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)N[C@H](CO)c1ccc(F)cc1 ZINC000815593661 1131006547 /nfs/dbraw/zinc/00/65/47/1131006547.db2.gz SWILSXFHZPXSCB-YVEFUNNKSA-N 0 1 291.341 3.657 20 0 CHADMN CCCCCN(C)Cc1cc(OC)c(F)cc1F ZINC001236816353 1131013310 /nfs/dbraw/zinc/01/33/10/1131013310.db2.gz YKUPEUKRROHVHM-UHFFFAOYSA-N 0 1 257.324 3.595 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC000798000160 1131020312 /nfs/dbraw/zinc/02/03/12/1131020312.db2.gz LOZSZWFMFKRSND-JTQLQIEISA-N 0 1 293.317 3.635 20 0 CHADMN CCCCCCOc1cccc(CNCCF)c1 ZINC000798087095 1131024013 /nfs/dbraw/zinc/02/40/13/1131024013.db2.gz HFIMGIPSNUUGEL-UHFFFAOYSA-N 0 1 253.361 3.705 20 0 CHADMN Cc1cccc(-c2ccc(CN(C)[C@H]3CCOC3)cn2)c1C ZINC001236984574 1131033045 /nfs/dbraw/zinc/03/30/45/1131033045.db2.gz FYJIBOPNCYODDA-KRWDZBQOSA-N 0 1 296.414 3.586 20 0 CHADMN Nc1cccc(CN2CCC[C@@H]2c2cc(F)cc(F)c2)c1 ZINC001237058229 1131042586 /nfs/dbraw/zinc/04/25/86/1131042586.db2.gz YBSDRGBIAHQBTM-QGZVFWFLSA-N 0 1 288.341 3.884 20 0 CHADMN C[C@]1(F)CCCN(Cc2cc(O)cc3ccccc32)C1 ZINC001237066547 1131045804 /nfs/dbraw/zinc/04/58/04/1131045804.db2.gz UTYUYQAEQXVBBS-KRWDZBQOSA-N 0 1 273.351 3.869 20 0 CHADMN Clc1ccc(CN2CC[C@@H]2Cc2ccccc2)cn1 ZINC000748040076 1131046669 /nfs/dbraw/zinc/04/66/69/1131046669.db2.gz YITGZNGRHNNOLV-OAHLLOKOSA-N 0 1 272.779 3.552 20 0 CHADMN CN(Cc1ccc(F)c(N2CCCC2)c1)C1CC(F)(F)C1 ZINC001237085581 1131047046 /nfs/dbraw/zinc/04/70/46/1131047046.db2.gz DCHOPLUAOYHCAM-UHFFFAOYSA-N 0 1 298.352 3.655 20 0 CHADMN CC(C)[C@@H]1CN(Cc2ccc(C3CCC3)cc2)CCO1 ZINC001237106756 1131050536 /nfs/dbraw/zinc/05/05/36/1131050536.db2.gz IXNQMZRWDKKNFF-SFHVURJKSA-N 0 1 273.420 3.811 20 0 CHADMN Cc1c(CN2CCCC(F)(F)CC2)ccc(F)c1F ZINC001237156154 1131059347 /nfs/dbraw/zinc/05/93/47/1131059347.db2.gz VFBFBAFCQXSVPS-UHFFFAOYSA-N 0 1 275.289 3.894 20 0 CHADMN Cc1c(CN(C)C2CC(F)(F)C2)ccc(F)c1F ZINC001237154418 1131059654 /nfs/dbraw/zinc/05/96/54/1131059654.db2.gz NVFIFXVECKDTCY-UHFFFAOYSA-N 0 1 261.262 3.503 20 0 CHADMN CC(C)C[NH+](Cc1sc(=O)[n-]c1Cl)CC(C)C ZINC001237160654 1131061852 /nfs/dbraw/zinc/06/18/52/1131061852.db2.gz IUPXIFJKFQOTDR-UHFFFAOYSA-N 0 1 276.833 3.616 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@H]1CCCc3cccnc31)CCC2 ZINC000798932328 1131061813 /nfs/dbraw/zinc/06/18/13/1131061813.db2.gz KPNHPKZOWYVITB-ZFWWWQNUSA-N 0 1 299.443 3.891 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(F)c(F)c2C)cc1 ZINC001237158781 1131062957 /nfs/dbraw/zinc/06/29/57/1131062957.db2.gz NGXXEBVTEGSSBB-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H](C)[C@@H]2C[C@H]2c2ccccc2)o1 ZINC000638925289 1131064528 /nfs/dbraw/zinc/06/45/28/1131064528.db2.gz MIOJBKAQQUIDDU-SDADXPQNSA-N 0 1 270.376 3.826 20 0 CHADMN Cc1ncc(CN(C)Cc2ccc3cccccc2-3)cn1 ZINC001237189220 1131065754 /nfs/dbraw/zinc/06/57/54/1131065754.db2.gz AQDBYMMPVZVKED-UHFFFAOYSA-N 0 1 277.371 3.522 20 0 CHADMN Fc1cc(Cl)ccc1CN1CC[C@@H](c2ccccn2)C1 ZINC000798964732 1131065875 /nfs/dbraw/zinc/06/58/75/1131065875.db2.gz UFIWEZRTHSCIHT-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN c1cc(CN2CCc3ccncc3C2)c2cccccc1-2 ZINC001237192527 1131067807 /nfs/dbraw/zinc/06/78/07/1131067807.db2.gz FBUJJEUMRRZSAK-UHFFFAOYSA-N 0 1 274.367 3.745 20 0 CHADMN COc1cccc(CN2CC3CCC2CC3)c1Cl ZINC001237194277 1131070212 /nfs/dbraw/zinc/07/02/12/1131070212.db2.gz UWUALVKWWRSHAM-UHFFFAOYSA-N 0 1 265.784 3.723 20 0 CHADMN C[C@@H]1CCN(Cc2cnc(Cl)cn2)[C@H]2CCCC[C@@H]12 ZINC000799111937 1131070371 /nfs/dbraw/zinc/07/03/71/1131070371.db2.gz NIVPYSQFJOOHPY-XBFCOCLRSA-N 0 1 279.815 3.531 20 0 CHADMN CN(CCC1CCCCC1)Cc1cnc(Cl)cn1 ZINC000799121482 1131071350 /nfs/dbraw/zinc/07/13/50/1131071350.db2.gz YDTWEYRAFMLUMH-UHFFFAOYSA-N 0 1 267.804 3.532 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1cnc(Cl)cn1 ZINC000799128702 1131072539 /nfs/dbraw/zinc/07/25/39/1131072539.db2.gz SBSLLUNSFXTJDH-WFASDCNBSA-N 0 1 287.794 3.508 20 0 CHADMN Clc1cnc(CN[C@H](c2ccccc2)C2CCC2)cn1 ZINC000799135321 1131073334 /nfs/dbraw/zinc/07/33/34/1131073334.db2.gz MWMZLNHKRYXSDA-MRXNPFEDSA-N 0 1 287.794 3.761 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](c2ccccn2)C1 ZINC000799191265 1131073784 /nfs/dbraw/zinc/07/37/84/1131073784.db2.gz KVAMSTXMGSSQLC-ZIAGYGMSSA-N 0 1 299.418 3.918 20 0 CHADMN CN(Cc1ccc2nccc(Cl)c2c1)Cc1ccccn1 ZINC001237268576 1131074510 /nfs/dbraw/zinc/07/45/10/1131074510.db2.gz SCCJOWQJLVSMER-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN COc1nc(Cl)ccc1CN1CCC2(CCCC2)C1 ZINC001237244441 1131075157 /nfs/dbraw/zinc/07/51/57/1131075157.db2.gz NZFLUYFPUWNCOV-UHFFFAOYSA-N 0 1 280.799 3.510 20 0 CHADMN Fc1ccc(Cl)c(CN2CC[C@@H](c3ccccn3)C2)c1 ZINC000799192608 1131076697 /nfs/dbraw/zinc/07/66/97/1131076697.db2.gz BUKQOKKQSGRAME-GFCCVEGCSA-N 0 1 290.769 3.864 20 0 CHADMN COc1cc(CN2C[C@@H](C)C[C@H]2CF)ccc1C(F)F ZINC001237277486 1131077004 /nfs/dbraw/zinc/07/70/04/1131077004.db2.gz PJIAHXHITDKBDM-JQWIXIFHSA-N 0 1 287.325 3.813 20 0 CHADMN C[C@@H]1CCN(Cc2ccncc2C(F)(F)F)[C@@H](C)C1 ZINC001237292680 1131079435 /nfs/dbraw/zinc/07/94/35/1131079435.db2.gz QJUWWORXYMOANE-MNOVXSKESA-N 0 1 272.314 3.721 20 0 CHADMN C[C@@H]1CC[N@H+]1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001237337693 1131086898 /nfs/dbraw/zinc/08/68/98/1131086898.db2.gz FGGGPTQJHDEYBI-GFCCVEGCSA-N 0 1 276.380 3.628 20 0 CHADMN C[C@@H]1CCN1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001237337693 1131086904 /nfs/dbraw/zinc/08/69/04/1131086904.db2.gz FGGGPTQJHDEYBI-GFCCVEGCSA-N 0 1 276.380 3.628 20 0 CHADMN CCc1cccc(C)c1C[N@H+]1CCC[C@@H]1c1ncccn1 ZINC001237334451 1131086993 /nfs/dbraw/zinc/08/69/93/1131086993.db2.gz SDXZVXCXJIUJID-QGZVFWFLSA-N 0 1 281.403 3.685 20 0 CHADMN CCc1cccc(C)c1CN1CCC[C@@H]1c1ncccn1 ZINC001237334451 1131086998 /nfs/dbraw/zinc/08/69/98/1131086998.db2.gz SDXZVXCXJIUJID-QGZVFWFLSA-N 0 1 281.403 3.685 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN1CC2(C1)C[C@H](F)CS2 ZINC001237350249 1131089134 /nfs/dbraw/zinc/08/91/34/1131089134.db2.gz KXSFXGOTPPKMEK-ZDUSSCGKSA-N 0 1 299.842 3.986 20 0 CHADMN C[C@@]1(CF)CCN(Cc2ccc(OC(F)F)c(F)c2)C1 ZINC001237352904 1131089231 /nfs/dbraw/zinc/08/92/31/1131089231.db2.gz PENNQKFPZKVVOL-AWEZNQCLSA-N 0 1 291.288 3.609 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN1C[C@@H](C)[C@@H](F)C1 ZINC001237355608 1131091071 /nfs/dbraw/zinc/09/10/71/1131091071.db2.gz QWRJLKDBOHUQMT-RISCZKNCSA-N 0 1 255.764 3.747 20 0 CHADMN C[C@H]1CCCN(Cc2cnccc2Br)C[C@H]1C ZINC001237383760 1131091830 /nfs/dbraw/zinc/09/18/30/1131091830.db2.gz FCXMXZITHJPEKA-NWDGAFQWSA-N 0 1 297.240 3.712 20 0 CHADMN CN(Cc1cnc(-c2ccccc2)o1)Cc1ccccc1 ZINC001237375305 1131092231 /nfs/dbraw/zinc/09/22/31/1131092231.db2.gz PZORFCHCRBRBAD-UHFFFAOYSA-N 0 1 278.355 3.974 20 0 CHADMN FC(F)[C@H]1CCCN(Cc2cnc(-c3ccccc3)o2)C1 ZINC001237374968 1131093091 /nfs/dbraw/zinc/09/30/91/1131093091.db2.gz VZECHWODWJRXHG-ZDUSSCGKSA-N 0 1 292.329 3.819 20 0 CHADMN Oc1cccc(F)c1-c1ccc2ccc(F)cc2n1 ZINC001245654961 1131104347 /nfs/dbraw/zinc/10/43/47/1131104347.db2.gz WIIASCGYRIJYPO-UHFFFAOYSA-N 0 1 257.239 3.886 20 0 CHADMN C[C@H](C[NH2+]Cc1c(F)ccc([O-])c1F)c1cccc(F)c1 ZINC000816543573 1131106893 /nfs/dbraw/zinc/10/68/93/1131106893.db2.gz GNMYFEDKFDHQDH-SNVBAGLBSA-N 0 1 295.304 3.703 20 0 CHADMN COc1c(C)cccc1CN(C)Cc1ccc(C)cc1 ZINC001237510364 1131108060 /nfs/dbraw/zinc/10/80/60/1131108060.db2.gz HVIHIMLTAKWXIE-UHFFFAOYSA-N 0 1 269.388 3.944 20 0 CHADMN COc1c(C)cccc1CN(C)CCC(=O)c1ccccc1 ZINC001237515203 1131108391 /nfs/dbraw/zinc/10/83/91/1131108391.db2.gz XJXDMCYTIQJUIN-UHFFFAOYSA-N 0 1 297.398 3.708 20 0 CHADMN Fc1cccc2c(CN3CCc4cnccc4C3)cccc12 ZINC001237521650 1131109676 /nfs/dbraw/zinc/10/96/76/1131109676.db2.gz LFGAJOXKPRGSJY-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN Cc1ncc(CN2CCCC2(C)C)cc1Br ZINC001237555524 1131114039 /nfs/dbraw/zinc/11/40/39/1131114039.db2.gz NAEISAKEQJAZQT-UHFFFAOYSA-N 0 1 283.213 3.527 20 0 CHADMN Cc1ncc(CN2CCCC[C@@H](C)C2)cc1Br ZINC001237556806 1131115012 /nfs/dbraw/zinc/11/50/12/1131115012.db2.gz WSNFJXMGMJVVTA-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN COc1ccc(OC)c(CN2CCC[C@](C)(F)CC2)c1F ZINC001237573287 1131115187 /nfs/dbraw/zinc/11/51/87/1131115187.db2.gz USPMMNOMVDMEEV-INIZCTEOSA-N 0 1 299.361 3.557 20 0 CHADMN Cc1c(CN2C[C@@H](F)C[C@H]2CO)cccc1-c1ccccc1 ZINC001237580842 1131115427 /nfs/dbraw/zinc/11/54/27/1131115427.db2.gz KKTILAYRVXZMKB-ROUUACIJSA-N 0 1 299.389 3.567 20 0 CHADMN C[C@H]1CN(Cc2c(Cl)cccc2N2CCCC2)[C@H]1C ZINC000816646437 1131117384 /nfs/dbraw/zinc/11/73/84/1131117384.db2.gz DEMNQUUAGOPDNP-STQMWFEESA-N 0 1 278.827 3.780 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1cnc(C2CCCC2)s1 ZINC000816648460 1131119001 /nfs/dbraw/zinc/11/90/01/1131119001.db2.gz KZFXHSBPESSNAS-WDEREUQCSA-N 0 1 250.411 3.641 20 0 CHADMN Cc1ccccc1CN(C)Cc1ccnc(OC(F)F)c1 ZINC001237615266 1131119267 /nfs/dbraw/zinc/11/92/67/1131119267.db2.gz QOMNCABIKBRJEF-UHFFFAOYSA-N 0 1 292.329 3.623 20 0 CHADMN C[C@@H]1CN(Cc2ccc(CSC(F)F)o2)[C@@H]1C ZINC000816647292 1131119339 /nfs/dbraw/zinc/11/93/39/1131119339.db2.gz QJWGJYHXPWKCJP-RKDXNWHRSA-N 0 1 261.337 3.576 20 0 CHADMN CC(C)[C@H]1C[C@H](NCc2c(F)cc(F)cc2F)CS1 ZINC000816651011 1131120056 /nfs/dbraw/zinc/12/00/56/1131120056.db2.gz ONQZCSJJDTXVOJ-IINYFYTJSA-N 0 1 289.366 3.724 20 0 CHADMN C[C@@H]1CN(Cc2ccc(OCC(F)(F)F)c(F)c2)[C@H]1C ZINC000816648103 1131120501 /nfs/dbraw/zinc/12/05/01/1131120501.db2.gz DSPRXUFUPVCCRE-ZJUUUORDSA-N 0 1 291.288 3.607 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC001115857869 1131120832 /nfs/dbraw/zinc/12/08/32/1131120832.db2.gz AIZIKRJVYOUGPW-KKUMJFAQSA-N 0 1 291.439 3.985 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H](C(F)F)C2)c(F)c1 ZINC001237635883 1131121690 /nfs/dbraw/zinc/12/16/90/1131121690.db2.gz WUYLXVNWZPSCPR-GFCCVEGCSA-N 0 1 287.325 3.702 20 0 CHADMN CCc1n[nH]cc1CN1CCCC[C@@H]1c1cccc(OC)c1 ZINC001237650503 1131123673 /nfs/dbraw/zinc/12/36/73/1131123673.db2.gz IEXISFDCNLMCOO-GOSISDBHSA-N 0 1 299.418 3.708 20 0 CHADMN CCN(CCOc1ccccc1F)Cc1ccccc1F ZINC001115918091 1131123826 /nfs/dbraw/zinc/12/38/26/1131123826.db2.gz WVCZRSXWSWKLEN-UHFFFAOYSA-N 0 1 291.341 3.866 20 0 CHADMN CCc1[nH]ncc1C[N@@H+](C)[C@H](CC)c1ccccc1 ZINC001237659426 1131124824 /nfs/dbraw/zinc/12/48/24/1131124824.db2.gz OMXYZSDCTPHQFJ-MRXNPFEDSA-N 0 1 257.381 3.555 20 0 CHADMN Cc1nc2ccc(-c3ccccc3)cn2c1CN1CCC1 ZINC001237655122 1131125257 /nfs/dbraw/zinc/12/52/57/1131125257.db2.gz PSKRKWGEFDIDMB-UHFFFAOYSA-N 0 1 277.371 3.515 20 0 CHADMN CCCCCC[C@@H](CC)C(=O)Nc1nc(C(C)C)n[nH]1 ZINC001116083808 1131127657 /nfs/dbraw/zinc/12/76/57/1131127657.db2.gz GIQNNMWYWKAYAG-GFCCVEGCSA-N 0 1 280.416 3.863 20 0 CHADMN CCCCCC[C@@H](CC)C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001116083808 1131127659 /nfs/dbraw/zinc/12/76/59/1131127659.db2.gz GIQNNMWYWKAYAG-GFCCVEGCSA-N 0 1 280.416 3.863 20 0 CHADMN Cc1cc(C)c(Cl)c(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c1 ZINC001237704072 1131131490 /nfs/dbraw/zinc/13/14/90/1131131490.db2.gz FELGNJAMAHSRLQ-DZGCQCFKSA-N 0 1 291.822 3.758 20 0 CHADMN Cc1cc(CN(C)Cc2ccncc2)ccc1OC(C)C ZINC001237712675 1131131763 /nfs/dbraw/zinc/13/17/63/1131131763.db2.gz DUTZCHGISADTCP-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN CS[C@@H]1CC[C@H](N(C)Cc2ncc(C(C)C)o2)C1 ZINC001116160798 1131132404 /nfs/dbraw/zinc/13/24/04/1131132404.db2.gz AVQLGIPLWBMZEL-NWDGAFQWSA-N 0 1 268.426 3.514 20 0 CHADMN Cc1cc(CN2C[C@@H](C)[C@@H](F)C2)ccc1OC(C)C ZINC001237717194 1131132880 /nfs/dbraw/zinc/13/28/80/1131132880.db2.gz MNNVIFKXWLZFAE-HIFRSBDPSA-N 0 1 265.372 3.572 20 0 CHADMN Cn1ccc2ccc(Nc3cccc4[nH]ncc43)cc21 ZINC001159574760 1131133144 /nfs/dbraw/zinc/13/31/44/1131133144.db2.gz WJINQVCBRIQQBT-UHFFFAOYSA-N 0 1 262.316 3.798 20 0 CHADMN Cc1ccc2nc(NC(=O)C=Cc3ccsc3)[nH]c2c1 ZINC000817017400 1131136921 /nfs/dbraw/zinc/13/69/21/1131136921.db2.gz MKQNGAMTARAWQW-HYXAFXHYSA-N 0 1 283.356 3.585 20 0 CHADMN Cc1ccc2nc(NC(=O)CCCc3ccsc3)[nH]c2c1 ZINC000817017770 1131137017 /nfs/dbraw/zinc/13/70/17/1131137017.db2.gz BBFPGOHNRNQCBB-UHFFFAOYSA-N 0 1 299.399 3.894 20 0 CHADMN CCc1ncc(C[N@@H+](C)CC/C=C/c2cccnc2)s1 ZINC001237825651 1131144248 /nfs/dbraw/zinc/14/42/48/1131144248.db2.gz BMXRJIHXGTXGBH-QPJJXVBHSA-N 0 1 287.432 3.636 20 0 CHADMN Cc1nc(C[N@H+]2CCCC3(CC(F)C3)CC2)ccc1F ZINC001237820315 1131144672 /nfs/dbraw/zinc/14/46/72/1131144672.db2.gz OAHXNWLKSHIGKU-UHFFFAOYSA-N 0 1 280.362 3.633 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccc(C)cc2C)[nH]n1 ZINC001116437067 1131144982 /nfs/dbraw/zinc/14/49/82/1131144982.db2.gz FQFPEFKIMBZSPM-CQSZACIVSA-N 0 1 257.381 3.528 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccc(C)cc2C)n[nH]1 ZINC001116437067 1131144988 /nfs/dbraw/zinc/14/49/88/1131144988.db2.gz FQFPEFKIMBZSPM-CQSZACIVSA-N 0 1 257.381 3.528 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC(C)(C)C1(C)C ZINC001116445358 1131146282 /nfs/dbraw/zinc/14/62/82/1131146282.db2.gz RGOSBWJFDMMLJM-UHFFFAOYSA-N 0 1 277.456 3.875 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN1CC(C)(C)C1(C)C ZINC001116445358 1131146284 /nfs/dbraw/zinc/14/62/84/1131146284.db2.gz RGOSBWJFDMMLJM-UHFFFAOYSA-N 0 1 277.456 3.875 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001237876085 1131147031 /nfs/dbraw/zinc/14/70/31/1131147031.db2.gz CQRVRZBFLGURBF-KBPBESRZSA-N 0 1 299.418 3.640 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC001237874806 1131147188 /nfs/dbraw/zinc/14/71/88/1131147188.db2.gz ZXXHMVJRKAUTEF-BETUJISGSA-N 0 1 287.407 3.781 20 0 CHADMN COC(=O)c1oc([C@H](C)N2CC(C)(C)C2(C)C)cc1C ZINC001116466176 1131148675 /nfs/dbraw/zinc/14/86/75/1131148675.db2.gz VFYQPJYHAVXNHF-NSHDSACASA-N 0 1 279.380 3.556 20 0 CHADMN CCCOc1cc(F)ccc1CN1CCC(SC)CC1 ZINC001237904521 1131150447 /nfs/dbraw/zinc/15/04/47/1131150447.db2.gz JDCRMNUSPQDHMH-UHFFFAOYSA-N 0 1 297.439 3.942 20 0 CHADMN CCOc1cc(F)cc(CN2CCC[C@H](C(F)F)C2)c1 ZINC001237916882 1131151561 /nfs/dbraw/zinc/15/15/61/1131151561.db2.gz KHQFCGVDDVCCMB-LBPRGKRZSA-N 0 1 287.325 3.702 20 0 CHADMN Cc1ccc(NC(=O)c2ccc3cncn3c2C)cc1Cl ZINC001116509749 1131152151 /nfs/dbraw/zinc/15/21/51/1131152151.db2.gz AUUALDLTOIAJQQ-UHFFFAOYSA-N 0 1 299.761 3.857 20 0 CHADMN CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc2cncn2c1C ZINC001116547993 1131154910 /nfs/dbraw/zinc/15/49/10/1131154910.db2.gz PXUNWOXWAGFXOH-YOEHRIQHSA-N 0 1 299.418 3.731 20 0 CHADMN CCCC(CCC)c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001116590652 1131155418 /nfs/dbraw/zinc/15/54/18/1131155418.db2.gz CEYUBSLMINQYSW-CQSZACIVSA-N 0 1 277.412 3.563 20 0 CHADMN CC1CC(N(C)Cc2csc(-c3ccc(O)cc3)n2)C1 ZINC001237978692 1131156258 /nfs/dbraw/zinc/15/62/58/1131156258.db2.gz YAPUPXBJZKKPJC-UHFFFAOYSA-N 0 1 288.416 3.746 20 0 CHADMN CC[C@H](C)[N@@H+](C)Cc1cc(F)cc(Br)c1F ZINC001238072008 1131168383 /nfs/dbraw/zinc/16/83/83/1131168383.db2.gz VZUVAGZXEQXTIA-QMMMGPOBSA-N 0 1 292.167 3.958 20 0 CHADMN CC[C@H](C)N(C)Cc1cc(F)cc(Br)c1F ZINC001238072008 1131168385 /nfs/dbraw/zinc/16/83/85/1131168385.db2.gz VZUVAGZXEQXTIA-QMMMGPOBSA-N 0 1 292.167 3.958 20 0 CHADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(F)c([O-])c(Cl)c1 ZINC001237990848 1131158160 /nfs/dbraw/zinc/15/81/60/1131158160.db2.gz ZKVBAUBUJMRKJI-VHSXEESVSA-N 0 1 271.763 3.805 20 0 CHADMN CC1(C)CN(C[C@H](O)c2ccc(F)cc2Cl)C1(C)C ZINC001116650978 1131158669 /nfs/dbraw/zinc/15/86/69/1131158669.db2.gz JOHOZBWWCMDRED-ZDUSSCGKSA-N 0 1 285.790 3.633 20 0 CHADMN Clc1ccc2c(c1)n[nH]c2CN1CC2(C1)CCCC2 ZINC001237995839 1131160607 /nfs/dbraw/zinc/16/06/07/1131160607.db2.gz IJSOSQVHMNGSIB-UHFFFAOYSA-N 0 1 275.783 3.592 20 0 CHADMN c1oc(C2CC2)nc1CN1CC[C@@H](C2CCCC2)C1 ZINC000817415401 1131160673 /nfs/dbraw/zinc/16/06/73/1131160673.db2.gz SDCXVCBYWGYHFH-CQSZACIVSA-N 0 1 260.381 3.564 20 0 CHADMN CN(Cc1cncc(Cl)c1Cl)C1CCCC1 ZINC001238007591 1131161086 /nfs/dbraw/zinc/16/10/86/1131161086.db2.gz ASUAOODGQXLCDE-UHFFFAOYSA-N 0 1 259.180 3.763 20 0 CHADMN Cc1ccc(Cl)c(CN2CC[C@H](C)[C@@](C)(O)CC2)c1F ZINC001138030533 1131166815 /nfs/dbraw/zinc/16/68/15/1131166815.db2.gz JHFKPSNAPRHGMJ-LRDDRELGSA-N 0 1 299.817 3.770 20 0 CHADMN Cc1c(C(=O)NCC2(C)CCC(C)CC2)ccc2cncn21 ZINC001116882286 1131168822 /nfs/dbraw/zinc/16/88/22/1131168822.db2.gz BCMQPYNLEWJOGS-UHFFFAOYSA-N 0 1 299.418 3.589 20 0 CHADMN Cc1cc(CN2CC3(C2)CCCOC3)cc(C)c1Cl ZINC001238091510 1131169662 /nfs/dbraw/zinc/16/96/62/1131169662.db2.gz YRYZPUIOVZYOLC-UHFFFAOYSA-N 0 1 279.811 3.569 20 0 CHADMN Fc1cc2[nH]ccc2c(Nc2ccc3c[nH]nc3c2)c1 ZINC001159663321 1131170811 /nfs/dbraw/zinc/17/08/11/1131170811.db2.gz VWIBYNWDYAETAB-UHFFFAOYSA-N 0 1 266.279 3.927 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(O)ccc2C)cn1 ZINC001238102269 1131170859 /nfs/dbraw/zinc/17/08/59/1131170859.db2.gz GKFZIDYVONWXNZ-SFHVURJKSA-N 0 1 282.387 3.741 20 0 CHADMN Cc1ccc(O)cc1C[N@H+]1CC[C@H](Oc2ccccc2C)C1 ZINC001238099575 1131170926 /nfs/dbraw/zinc/17/09/26/1131170926.db2.gz RROOAJSNZNIEMO-SFHVURJKSA-N 0 1 297.398 3.662 20 0 CHADMN CCN(Cc1cc(Cl)c(O)cc1F)CC(F)(F)F ZINC001238149207 1131173856 /nfs/dbraw/zinc/17/38/56/1131173856.db2.gz HQJIVFHPJCDLLF-UHFFFAOYSA-N 0 1 285.668 3.569 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@H+](C)[C@H]1CCc2ccccc21 ZINC001238144623 1131174586 /nfs/dbraw/zinc/17/45/86/1131174586.db2.gz XLSGMGVZXBXJBI-SFHVURJKSA-N 0 1 295.382 3.813 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2cc(Cl)c(O)cc2F)C1 ZINC001238145771 1131174642 /nfs/dbraw/zinc/17/46/42/1131174642.db2.gz FRYVFQOLIMHJNL-CQSZACIVSA-N 0 1 289.753 3.899 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@H+]1CCC(F)(F)C(C)(C)C1 ZINC001238139772 1131175148 /nfs/dbraw/zinc/17/51/48/1131175148.db2.gz JGKZHVQIYOJZJA-UHFFFAOYSA-N 0 1 297.345 3.560 20 0 CHADMN Oc1cc(F)c(CN2CC[C@@H](C(F)(F)F)C2)cc1Cl ZINC001238152391 1131175588 /nfs/dbraw/zinc/17/55/88/1131175588.db2.gz OTGQTVUXFRPFDY-MRVPVSSYSA-N 0 1 297.679 3.569 20 0 CHADMN CN(Cc1ccccc1F)Cc1cc(Cl)c(O)cc1F ZINC001238152071 1131176490 /nfs/dbraw/zinc/17/64/90/1131176490.db2.gz LKWOSXUQYYXUPR-UHFFFAOYSA-N 0 1 297.732 3.956 20 0 CHADMN CN(Cc1ccccc1)Cc1cncc(C2CC2)c1 ZINC001238188325 1131177932 /nfs/dbraw/zinc/17/79/32/1131177932.db2.gz VBXCYJBHOXLAAZ-UHFFFAOYSA-N 0 1 252.361 3.591 20 0 CHADMN c1ccc([C@H]2CCN2Cc2cncc(C3CC3)c2)cc1 ZINC001238195403 1131179048 /nfs/dbraw/zinc/17/90/48/1131179048.db2.gz ZKLIDICVUFOUJI-GOSISDBHSA-N 0 1 264.372 3.906 20 0 CHADMN Cc1c(Cl)ccc(CN2CCSCC2)c1C ZINC001238210832 1131180481 /nfs/dbraw/zinc/18/04/81/1131180481.db2.gz ASVHDMWNMOBIPD-UHFFFAOYSA-N 0 1 255.814 3.506 20 0 CHADMN CC(C)c1cc(CN2CC[C@H](O)[C@@H](F)CC2)ccc1Cl ZINC001238220373 1131183507 /nfs/dbraw/zinc/18/35/07/1131183507.db2.gz UDTXJPMINIFUGQ-HOTGVXAUSA-N 0 1 299.817 3.758 20 0 CHADMN CC(C)c1cc(CN2CC[C@@](C)(CO)C2)ccc1Cl ZINC001238220351 1131183855 /nfs/dbraw/zinc/18/38/55/1131183855.db2.gz TUQPCIIVWRKHJU-MRXNPFEDSA-N 0 1 281.827 3.668 20 0 CHADMN CCOc1cc(Br)cc(CN2CCC[C@H]2C)c1 ZINC001238245660 1131186398 /nfs/dbraw/zinc/18/63/98/1131186398.db2.gz OKLXQNCYXSVOGW-LLVKDONJSA-N 0 1 298.224 3.832 20 0 CHADMN Fc1cccc2c1CC[C@H]2N1CCCc2occc2C1 ZINC001117508398 1131189089 /nfs/dbraw/zinc/18/90/89/1131189089.db2.gz HXNSOXUROZXLCK-MRXNPFEDSA-N 0 1 271.335 3.854 20 0 CHADMN CCc1ccc([C@H]2CCC[N@H+](Cc3cc(C)[nH]n3)C2)cc1 ZINC001117637083 1131189877 /nfs/dbraw/zinc/18/98/77/1131189877.db2.gz UWKYPXVCVLNQFY-KRWDZBQOSA-N 0 1 283.419 3.660 20 0 CHADMN CCOC1CCN(Cc2cccc(F)c2OC(C)C)CC1 ZINC001238320776 1131191409 /nfs/dbraw/zinc/19/14/09/1131191409.db2.gz XIWYEKCYWKXKBZ-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN CC(C)[C@]1(CO)CCN([C@@H](C)c2cccc(Cl)c2F)C1 ZINC001117673479 1131191920 /nfs/dbraw/zinc/19/19/20/1131191920.db2.gz QNICZGBBROQHQN-BLLLJJGKSA-N 0 1 299.817 3.881 20 0 CHADMN CCCCC1CCN(Cc2ccc(OC)c(O)c2F)CC1 ZINC001238361048 1131192120 /nfs/dbraw/zinc/19/21/20/1131192120.db2.gz LYPOLCGXPRLQBC-UHFFFAOYSA-N 0 1 295.398 3.942 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1cc(OC)ncc1Cl ZINC001238357226 1131192251 /nfs/dbraw/zinc/19/22/51/1131192251.db2.gz GAXDLFVQFHMMSS-CYBMUJFWSA-N 0 1 282.815 3.898 20 0 CHADMN CCCC1CCN(Cc2ccc(OC)c(O)c2F)CC1 ZINC001238358371 1131192961 /nfs/dbraw/zinc/19/29/61/1131192961.db2.gz FUMHBYQZKHEGGT-UHFFFAOYSA-N 0 1 281.371 3.552 20 0 CHADMN Oc1ccc(F)c(CN2CC[C@@H]3CCCC[C@@H]3C2)c1F ZINC001117721010 1131193934 /nfs/dbraw/zinc/19/39/34/1131193934.db2.gz JJYJBDBSVAWNAW-NWDGAFQWSA-N 0 1 281.346 3.683 20 0 CHADMN C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1cccn1C1CC1 ZINC001117744342 1131195028 /nfs/dbraw/zinc/19/50/28/1131195028.db2.gz FPVMJFZKUQTWLV-NWDGAFQWSA-N 0 1 286.341 3.986 20 0 CHADMN CC(C)Oc1ccccc1CNCc1cccn1C1CC1 ZINC001117743567 1131195355 /nfs/dbraw/zinc/19/53/55/1131195355.db2.gz IJDXVMYMPBCPLV-UHFFFAOYSA-N 0 1 284.403 3.900 20 0 CHADMN CCOc1ccc(CN2CC3CC(C3)C2)c(Cl)c1 ZINC001238405049 1131195702 /nfs/dbraw/zinc/19/57/02/1131195702.db2.gz LCTDRCLNSPGQJP-UHFFFAOYSA-N 0 1 265.784 3.581 20 0 CHADMN CCN(Cc1c(Cl)ccc(C)c1F)C1CCOCC1 ZINC001138034355 1131197368 /nfs/dbraw/zinc/19/73/68/1131197368.db2.gz APHQBVZKMXNLSF-UHFFFAOYSA-N 0 1 285.790 3.788 20 0 CHADMN CO[C@H]1CCCN(Cc2c(Cl)ccc(C)c2F)CC1 ZINC001138034623 1131199364 /nfs/dbraw/zinc/19/93/64/1131199364.db2.gz NCJFLIPTZDFJHD-LBPRGKRZSA-N 0 1 285.790 3.788 20 0 CHADMN CC(C)Oc1ccc(CN2CC[C@@]3(CC3(F)F)C2)c(F)c1 ZINC001238451759 1131201506 /nfs/dbraw/zinc/20/15/06/1131201506.db2.gz OLOVGZPWNXLKMA-OAHLLOKOSA-N 0 1 299.336 3.844 20 0 CHADMN COc1cc(CN2CCC[C@H]2c2ccccc2)cnc1F ZINC001238453151 1131202916 /nfs/dbraw/zinc/20/29/16/1131202916.db2.gz FGUKEEMLYVPIOA-HNNXBMFYSA-N 0 1 286.350 3.566 20 0 CHADMN CCO[C@H]1CCCN(Cc2ccc(F)c(OC(C)C)c2)C1 ZINC001238460554 1131204192 /nfs/dbraw/zinc/20/41/92/1131204192.db2.gz NTBIKYXXEOZBKE-HNNXBMFYSA-N 0 1 295.398 3.614 20 0 CHADMN CCN(Cc1cccs1)Cc1cncc(OC(C)C)c1 ZINC001238472495 1131205022 /nfs/dbraw/zinc/20/50/22/1131205022.db2.gz YPBSAFHHUGHFAB-UHFFFAOYSA-N 0 1 290.432 3.952 20 0 CHADMN COc1c(CN2CCC[C@H]3CCC[C@H]32)ccc(F)c1F ZINC001238473563 1131205866 /nfs/dbraw/zinc/20/58/66/1131205866.db2.gz RPIYEKAFIUBWEZ-BXUZGUMPSA-N 0 1 281.346 3.738 20 0 CHADMN COc1c(CN2CCC(C)(C)CC2)ccc(F)c1F ZINC001238477503 1131205955 /nfs/dbraw/zinc/20/59/55/1131205955.db2.gz ORCLKTHGLABDOP-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN Cc1ccc(OC(C)C)cc1CN1CCCC(=O)[C@@H](C)C1 ZINC001238476047 1131206014 /nfs/dbraw/zinc/20/60/14/1131206014.db2.gz KQDXKIMRQZEITJ-HNNXBMFYSA-N 0 1 289.419 3.583 20 0 CHADMN CCN(Cc1ccccc1)Cc1ccc(F)c(F)c1OC ZINC001238476302 1131206030 /nfs/dbraw/zinc/20/60/30/1131206030.db2.gz SXCVTLNCNUYQKZ-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN Cc1nc(CN[C@H]2CCc3cccc(Cl)c3C2)c(C)o1 ZINC001170892941 1131207045 /nfs/dbraw/zinc/20/70/45/1131207045.db2.gz KPVHITIXPYPSDZ-ZDUSSCGKSA-N 0 1 290.794 3.592 20 0 CHADMN Cc1ccc(OC(C)C)cc1CN1CCOC[C@H]1C(C)C ZINC001238479438 1131207325 /nfs/dbraw/zinc/20/73/25/1131207325.db2.gz GADMAUQLIDSZOI-SFHVURJKSA-N 0 1 291.435 3.639 20 0 CHADMN COc1cnc(CN2CCCC3(CCCC3)C2)c(Cl)c1 ZINC001238483328 1131207336 /nfs/dbraw/zinc/20/73/36/1131207336.db2.gz JPXNYGVQUXKWGJ-UHFFFAOYSA-N 0 1 294.826 3.900 20 0 CHADMN COc1cnc(CN2CCCCC[C@@H]2C)c(Cl)c1 ZINC001238486232 1131207845 /nfs/dbraw/zinc/20/78/45/1131207845.db2.gz BCNIQFJITGSCKQ-NSHDSACASA-N 0 1 268.788 3.508 20 0 CHADMN Fc1ccc(CN2CC[C@@H]3CCCO[C@@H]3C2)cc1C1CC1 ZINC001238497475 1131209377 /nfs/dbraw/zinc/20/93/77/1131209377.db2.gz DPZFMJOPOVJFLF-MAUKXSAKSA-N 0 1 289.394 3.704 20 0 CHADMN Cc1c(Cl)ccc(CN2CCC[C@@](C)(O)[C@@H](C)C2)c1F ZINC001238511928 1131211286 /nfs/dbraw/zinc/21/12/86/1131211286.db2.gz JKPPSOBDDPZMSP-MEDUHNTESA-N 0 1 299.817 3.770 20 0 CHADMN Cc1cc(CN2CC(C)(CO)C2)ccc1Oc1ccccc1 ZINC001238527977 1131213082 /nfs/dbraw/zinc/21/30/82/1131213082.db2.gz YRCBCNNSRHLXMZ-UHFFFAOYSA-N 0 1 297.398 3.602 20 0 CHADMN CC(C)Oc1c(F)ccc(CN(C)C2CC(C)C2)c1F ZINC001238527805 1131213637 /nfs/dbraw/zinc/21/36/37/1131213637.db2.gz OAKFYLZJKNFAKI-UHFFFAOYSA-N 0 1 283.362 3.982 20 0 CHADMN CCCCN(CC)Cc1c(F)cc(C)cc1OC ZINC001238586710 1131218071 /nfs/dbraw/zinc/21/80/71/1131218071.db2.gz ZKNZZPWZLYUSSF-UHFFFAOYSA-N 0 1 253.361 3.765 20 0 CHADMN Cc1cc(F)cc(Br)c1CN(C)C(C)C ZINC001238566634 1131218476 /nfs/dbraw/zinc/21/84/76/1131218476.db2.gz MTAUPAGOZOLNAN-UHFFFAOYSA-N 0 1 274.177 3.737 20 0 CHADMN Cc1cnc(-c2ccccc2)c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001238614500 1131220746 /nfs/dbraw/zinc/22/07/46/1131220746.db2.gz WHRNYCBYPBKVBV-SZMVWBNQSA-N 0 1 296.389 3.847 20 0 CHADMN CC(C)CN(C)Cc1cc(-c2ccccc2)cnc1F ZINC001238657626 1131226117 /nfs/dbraw/zinc/22/61/17/1131226117.db2.gz HUYVHUDHOGUXIA-UHFFFAOYSA-N 0 1 272.367 3.976 20 0 CHADMN Cc1cc(OC(C)C)cc(C)c1CN1C[C@@H](C)O[C@@H](C)C1 ZINC001238666109 1131227945 /nfs/dbraw/zinc/22/79/45/1131227945.db2.gz GZYRGYXDDJIJQC-IYBDPMFKSA-N 0 1 291.435 3.700 20 0 CHADMN CO[C@@H]1CCCN(Cc2cc(Cl)ccc2SC)C1 ZINC001238670499 1131228320 /nfs/dbraw/zinc/22/83/20/1131228320.db2.gz GTRFSQAPFNSWHJ-CYBMUJFWSA-N 0 1 285.840 3.673 20 0 CHADMN CN(Cc1cc(Cl)ccc1NC(=O)C(C)(C)C)C1CC1 ZINC001238666754 1131228525 /nfs/dbraw/zinc/22/85/25/1131228525.db2.gz LZKBWCQPTAJPKJ-UHFFFAOYSA-N 0 1 294.826 3.919 20 0 CHADMN Clc1ccc([C@H]2CCCCCN2Cc2nnc[nH]2)cc1 ZINC001118494171 1131229551 /nfs/dbraw/zinc/22/95/51/1131229551.db2.gz BKVZKJANDGKRTO-CQSZACIVSA-N 0 1 290.798 3.575 20 0 CHADMN CCCN(CCC)Cc1nc(Br)cs1 ZINC001137773971 1131416038 /nfs/dbraw/zinc/41/60/38/1131416038.db2.gz LNJBCLKECMVWQM-UHFFFAOYSA-N 0 1 277.231 3.528 20 0 CHADMN CCCN(Cc1cccnc1Br)[C@@H](C)CC ZINC001137793015 1131417167 /nfs/dbraw/zinc/41/71/67/1131417167.db2.gz XKBFANWGKYXKMW-NSHDSACASA-N 0 1 285.229 3.855 20 0 CHADMN CCC(CC)N(CC)Cc1cccnc1Br ZINC001137800651 1131417506 /nfs/dbraw/zinc/41/75/06/1131417506.db2.gz UMUUPJJKNAAEAK-UHFFFAOYSA-N 0 1 285.229 3.855 20 0 CHADMN Clc1ncsc1CN1CC[C@H]2CCCC[C@H]2C1 ZINC001137822546 1131419308 /nfs/dbraw/zinc/41/93/08/1131419308.db2.gz DHRYAIHTZOMZAX-MNOVXSKESA-N 0 1 270.829 3.809 20 0 CHADMN Cc1cccc(C)c1CN(C)Cc1cnc2ccccn12 ZINC001137847928 1131423291 /nfs/dbraw/zinc/42/32/91/1131423291.db2.gz LUPLFJYCFXFAOZ-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(F)c(N)c1 ZINC001160241130 1131424140 /nfs/dbraw/zinc/42/41/40/1131424140.db2.gz JXCHNMQFURLLFN-UHFFFAOYSA-N 0 1 283.306 3.708 20 0 CHADMN Cc1cccc(C)c1CN(C)Cc1cccc2c1OCO2 ZINC001137854446 1131424161 /nfs/dbraw/zinc/42/41/61/1131424161.db2.gz XCEGZDSIEWKOEE-UHFFFAOYSA-N 0 1 283.371 3.664 20 0 CHADMN Cc1cccc(C)c1CN1CCc2cnc(C3CC3)nc2C1 ZINC001137854183 1131424263 /nfs/dbraw/zinc/42/42/63/1131424263.db2.gz LLZCMJPPJWCKFD-UHFFFAOYSA-N 0 1 293.414 3.529 20 0 CHADMN C[C@@H]1CCC[C@@H](N(C)Cc2ccnc(Cl)c2F)C1 ZINC000823399383 1131424804 /nfs/dbraw/zinc/42/48/04/1131424804.db2.gz BPZONRQGAVIBKC-ZYHUDNBSSA-N 0 1 270.779 3.885 20 0 CHADMN Fc1ccc(C2CCN(Cc3ccncc3F)CC2)cc1 ZINC000823447393 1131426688 /nfs/dbraw/zinc/42/66/88/1131426688.db2.gz HKDLZSDKHAZLLS-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1cc(F)ncc1F ZINC000823459392 1131427886 /nfs/dbraw/zinc/42/78/86/1131427886.db2.gz STNSLLATURQSNK-TZMCWYRMSA-N 0 1 288.341 3.738 20 0 CHADMN Fc1c(CN2CCC[C@@H]3CCC[C@@H]32)ccnc1Cl ZINC000823419307 1131428019 /nfs/dbraw/zinc/42/80/19/1131428019.db2.gz XYKSTQQIFKRYRB-JQWIXIFHSA-N 0 1 268.763 3.639 20 0 CHADMN Fc1cc(F)c(F)c(CN2CCC[C@@H]3CCC[C@@H]32)c1 ZINC001137873899 1131428259 /nfs/dbraw/zinc/42/82/59/1131428259.db2.gz YEVXIUMNLLPJPP-HZMBPMFUSA-N 0 1 269.310 3.868 20 0 CHADMN C[C@H]1CCCCCN1Cc1cc(F)c(F)cc1F ZINC001137889979 1131429601 /nfs/dbraw/zinc/42/96/01/1131429601.db2.gz WLOZZYLYOUZKEL-JTQLQIEISA-N 0 1 257.299 3.868 20 0 CHADMN Nc1cc(Cl)ccc1Nc1cncn1Cc1ccccc1 ZINC001160265767 1131431065 /nfs/dbraw/zinc/43/10/65/1131431065.db2.gz BIQMBJLYUUHIEJ-UHFFFAOYSA-N 0 1 298.777 3.911 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC001137894377 1131431195 /nfs/dbraw/zinc/43/11/95/1131431195.db2.gz SGZCFFIPILKEOM-JYJNAYRXSA-N 0 1 282.472 3.534 20 0 CHADMN Fc1ccc(CN2CC[C@H]3CCC[C@@H]3C2)c(F)c1F ZINC001137935895 1131439128 /nfs/dbraw/zinc/43/91/28/1131439128.db2.gz OUKFOVOXINZOPW-GHMZBOCLSA-N 0 1 269.310 3.726 20 0 CHADMN CCOc1cccc([C@H](C)NCc2cc(C3CC3)nn2C)c1 ZINC000823741795 1131439209 /nfs/dbraw/zinc/43/92/09/1131439209.db2.gz BPTRLMPWELMHHB-ZDUSSCGKSA-N 0 1 299.418 3.547 20 0 CHADMN Cn1nc(C2CC2)cc1CNCc1ccc2ccccc2c1 ZINC000823723691 1131439891 /nfs/dbraw/zinc/43/98/91/1131439891.db2.gz ONNARJDXJACGCM-UHFFFAOYSA-N 0 1 291.398 3.741 20 0 CHADMN CCN(Cc1csc(Cl)n1)[C@H]1CCOC(C)(C)C1 ZINC000829942632 1131440061 /nfs/dbraw/zinc/44/00/61/1131440061.db2.gz OQLPKBLEHPQEMJ-NSHDSACASA-N 0 1 288.844 3.576 20 0 CHADMN Cc1ccc(CN2CC[C@H](c3ccncc3)C2)c(F)c1F ZINC001137968536 1131444170 /nfs/dbraw/zinc/44/41/70/1131444170.db2.gz JJGGULUURJJXSJ-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN CC[C@@](C)(NCc1cc(F)ncc1F)c1ccccc1 ZINC000823887142 1131447005 /nfs/dbraw/zinc/44/70/05/1131447005.db2.gz CHBDNRPCMTVTGV-MRXNPFEDSA-N 0 1 276.330 3.775 20 0 CHADMN C[C@@H]1CCN([C@@H]2CCc3c(Cl)cccc3C2)C[C@H]1F ZINC001171037147 1131448395 /nfs/dbraw/zinc/44/83/95/1131448395.db2.gz JWOGSTAFWKPANZ-AXAPSJFSSA-N 0 1 281.802 3.877 20 0 CHADMN Cc1ccc(CN2CCC(=O)[C@H](C)CC2)c2ccccc12 ZINC001138014089 1131450807 /nfs/dbraw/zinc/45/08/07/1131450807.db2.gz CIFNKGZGDBJTHX-OAHLLOKOSA-N 0 1 281.399 3.949 20 0 CHADMN Cc1ccc(CN2CCOCC23CCC3)c2ccccc12 ZINC001138016354 1131451658 /nfs/dbraw/zinc/45/16/58/1131451658.db2.gz FUAKNNVOEYHLCB-UHFFFAOYSA-N 0 1 281.399 3.903 20 0 CHADMN F[C@H]1CCCN([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171042968 1131452223 /nfs/dbraw/zinc/45/22/23/1131452223.db2.gz BYXWWYHPBWNFSV-QWHCGFSZSA-N 0 1 267.775 3.631 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H](C)[C@](C)(O)CC2)c1Cl ZINC001138022982 1131453124 /nfs/dbraw/zinc/45/31/24/1131453124.db2.gz UPFAFIYRIHLOSW-MLGOLLRUSA-N 0 1 299.817 3.770 20 0 CHADMN Cc1ccc(F)c(CN2C[C@H]3CC[C@@H]2C3)c1Cl ZINC001138027765 1131454717 /nfs/dbraw/zinc/45/47/17/1131454717.db2.gz ICUVIGNGMIGMEK-WDEREUQCSA-N 0 1 253.748 3.772 20 0 CHADMN CO[C@H]1CCN(Cc2c(Cl)ccc(C)c2F)[C@H](C)C1 ZINC001138036938 1131457384 /nfs/dbraw/zinc/45/73/84/1131457384.db2.gz CJJWQPKBXVWVIY-NEPJUHHUSA-N 0 1 285.790 3.787 20 0 CHADMN C[C@H]1c2cccn2CCN1Cc1ccc(O)c2ccccc12 ZINC001138061975 1131460349 /nfs/dbraw/zinc/46/03/49/1131460349.db2.gz ZONDYJGVZPDRSS-AWEZNQCLSA-N 0 1 292.382 3.924 20 0 CHADMN C[C@@]1(O)CCCN(Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001136856431 1131463026 /nfs/dbraw/zinc/46/30/26/1131463026.db2.gz IYQSBZJMNJXPFN-MRXNPFEDSA-N 0 1 292.810 3.558 20 0 CHADMN CO[C@H]1CCN(Cc2cc3c(cccc3Cl)[nH]2)[C@@H](C)C1 ZINC001136864867 1131465682 /nfs/dbraw/zinc/46/56/82/1131465682.db2.gz LCGUNCBIKDZTJM-AAEUAGOBSA-N 0 1 292.810 3.821 20 0 CHADMN Cc1ccc(F)c(CN2CCC3(CC(F)C3)CC2)c1F ZINC001138115934 1131468180 /nfs/dbraw/zinc/46/81/80/1131468180.db2.gz USOMCEAWVPGEOL-UHFFFAOYSA-N 0 1 283.337 3.987 20 0 CHADMN Cc1ccn2c(CN(C)C/C=C/c3ccccc3)cnc2c1 ZINC001136891619 1131472228 /nfs/dbraw/zinc/47/22/28/1131472228.db2.gz VEZSEOHYPGWCKD-RMKNXTFCSA-N 0 1 291.398 3.788 20 0 CHADMN C/C(=C\c1ccc(Cl)cc1)CN[C@H]1CCn2ccnc21 ZINC000824525966 1131472402 /nfs/dbraw/zinc/47/24/02/1131472402.db2.gz GCBULKVGYZGOBT-PABFRNLHSA-N 0 1 287.794 3.674 20 0 CHADMN CN(Cc1cc(O)ccc1Br)C[C@@H]1CC1(C)C ZINC001138147090 1131473110 /nfs/dbraw/zinc/47/31/10/1131473110.db2.gz HIHXPLRGHLHDJU-NSHDSACASA-N 0 1 298.224 3.633 20 0 CHADMN C[C@]1(F)CCCCN(Cc2ccc(N3CCCCC3)o2)C1 ZINC001138172741 1131474623 /nfs/dbraw/zinc/47/46/23/1131474623.db2.gz WZENNOAZEPUNCW-KRWDZBQOSA-N 0 1 294.414 3.984 20 0 CHADMN C[C@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)[C@H]1C ZINC001138244140 1131481304 /nfs/dbraw/zinc/48/13/04/1131481304.db2.gz XZNVMUABACCSBM-QWRGUYRKSA-N 0 1 281.783 3.689 20 0 CHADMN C[C@]1(F)CCCN(Cc2ccc(OCC(F)F)cc2)C1 ZINC001136935617 1131484011 /nfs/dbraw/zinc/48/40/11/1131484011.db2.gz LNPKLOMUNMEQNY-HNNXBMFYSA-N 0 1 287.325 3.655 20 0 CHADMN CC(C)(C)Oc1cccc(C[N@@H+](CC2CC2)C2CC2)n1 ZINC001138285145 1131485869 /nfs/dbraw/zinc/48/58/69/1131485869.db2.gz VCGFFWBJFMFDIL-UHFFFAOYSA-N 0 1 274.408 3.633 20 0 CHADMN Cc1ccc2c(CN3CC[C@](C)(F)[C@@H](F)C3)c[nH]c2c1 ZINC001136969216 1131488626 /nfs/dbraw/zinc/48/86/26/1131488626.db2.gz IJRDEEYENJINMR-HOTGVXAUSA-N 0 1 278.346 3.748 20 0 CHADMN Cc1ccc2c(CN3CC[C@](C)(F)[C@H](F)C3)c[nH]c2c1 ZINC001136969215 1131488750 /nfs/dbraw/zinc/48/87/50/1131488750.db2.gz IJRDEEYENJINMR-CVEARBPZSA-N 0 1 278.346 3.748 20 0 CHADMN CCN(Cc1cnc2c(C)cccn12)Cc1ccc(C)cc1 ZINC001136966144 1131490216 /nfs/dbraw/zinc/49/02/16/1131490216.db2.gz QAKZQZMIGCWUAG-UHFFFAOYSA-N 0 1 293.414 3.973 20 0 CHADMN CCN(Cc1cccc(Cl)c1)Cc1cc(O)cc(O)c1 ZINC001138332658 1131492490 /nfs/dbraw/zinc/49/24/90/1131492490.db2.gz FOOASWZGKGMQLN-UHFFFAOYSA-N 0 1 291.778 3.773 20 0 CHADMN CN(Cc1c[nH]c2cccc(F)c12)C1CC(F)(F)C1 ZINC001136976678 1131493471 /nfs/dbraw/zinc/49/34/71/1131493471.db2.gz KRKDZUTVVBAGHA-UHFFFAOYSA-N 0 1 268.282 3.537 20 0 CHADMN Fc1cccc2[nH]cc(CN3CCc4ccccc4C3)c21 ZINC001136977268 1131494664 /nfs/dbraw/zinc/49/46/64/1131494664.db2.gz VUVSPELTTBBVJH-UHFFFAOYSA-N 0 1 280.346 3.865 20 0 CHADMN Fc1cccc2[nH]cc(CN3CCCC[C@H](F)C3)c21 ZINC001136978940 1131494924 /nfs/dbraw/zinc/49/49/24/1131494924.db2.gz AEIFOGOQODSATE-LBPRGKRZSA-N 0 1 264.319 3.631 20 0 CHADMN CCc1cccc2c(CN3CCOC[C@H]3C(C)C)c[nH]c21 ZINC001138366356 1131495191 /nfs/dbraw/zinc/49/51/91/1131495191.db2.gz VOHRFMQQZSCKSB-KRWDZBQOSA-N 0 1 286.419 3.587 20 0 CHADMN CCc1nc(CNC2CC(c3ccc(C)cc3)C2)co1 ZINC000825058122 1131497246 /nfs/dbraw/zinc/49/72/46/1131497246.db2.gz SKTOZIFOOKUWTH-UHFFFAOYSA-N 0 1 270.376 3.581 20 0 CHADMN CCN(Cc1[nH]c2ccccc2c1C)Cc1ccncc1 ZINC001138396502 1131498403 /nfs/dbraw/zinc/49/84/03/1131498403.db2.gz BHOGUFZZHMZELI-UHFFFAOYSA-N 0 1 279.387 3.893 20 0 CHADMN Clc1cncc(C[N@H+]2CCC23CCCCC3)c1 ZINC001136989849 1131498775 /nfs/dbraw/zinc/49/87/75/1131498775.db2.gz VLLBJWPHKNHCPC-UHFFFAOYSA-N 0 1 250.773 3.644 20 0 CHADMN Clc1cncc(CN2CCC23CCCCC3)c1 ZINC001136989849 1131498777 /nfs/dbraw/zinc/49/87/77/1131498777.db2.gz VLLBJWPHKNHCPC-UHFFFAOYSA-N 0 1 250.773 3.644 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C[N@@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000825152613 1131498849 /nfs/dbraw/zinc/49/88/49/1131498849.db2.gz ADAUCCGNOILCMJ-CHWSQXEVSA-N 0 1 296.480 3.629 20 0 CHADMN C[C@@H]1CCCC[C@@H]1CN(C)Cc1csc(C(C)(C)O)n1 ZINC000825152613 1131498853 /nfs/dbraw/zinc/49/88/53/1131498853.db2.gz ADAUCCGNOILCMJ-CHWSQXEVSA-N 0 1 296.480 3.629 20 0 CHADMN Cc1ncccc1CN(C)Cc1c[nH]c2cccc(F)c12 ZINC001136987147 1131499083 /nfs/dbraw/zinc/49/90/83/1131499083.db2.gz LBVGMBKPZDCSAJ-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN Cc1ccc2[nH]c(CN3CCc4cc(O)ccc4C3)cc2c1 ZINC001138416106 1131501801 /nfs/dbraw/zinc/50/18/01/1131501801.db2.gz QEUWQXNUBQWABS-UHFFFAOYSA-N 0 1 292.382 3.740 20 0 CHADMN Fc1ccc([C@@H]2CCCN2C[C@@H]2CCC=CO2)c(F)c1 ZINC000825214920 1131502028 /nfs/dbraw/zinc/50/20/28/1131502028.db2.gz BDSLATPKGBIYQO-BBRMVZONSA-N 0 1 279.330 3.794 20 0 CHADMN COc1c(F)cc(CN(C)Cc2ccc(F)cc2)cc1F ZINC001138421069 1131502694 /nfs/dbraw/zinc/50/26/94/1131502694.db2.gz YEAAAZQIGZSOOV-UHFFFAOYSA-N 0 1 295.304 3.745 20 0 CHADMN Cc1ccc2[nH]c(CN3CCC(F)(F)CC3)cc2c1 ZINC001138419336 1131502835 /nfs/dbraw/zinc/50/28/35/1131502835.db2.gz QTWRDIPQKIHIKK-UHFFFAOYSA-N 0 1 264.319 3.707 20 0 CHADMN COc1c(F)cc(CN2CCC(C)(C)CC2)cc1F ZINC001138424015 1131503640 /nfs/dbraw/zinc/50/36/40/1131503640.db2.gz JKKRGWLIVGWFDK-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN COc1c(C)cc(CN2CCc3ncc(C)cc3C2)cc1C ZINC001138429768 1131505195 /nfs/dbraw/zinc/50/51/95/1131505195.db2.gz MEMSHYYUYMVWKB-UHFFFAOYSA-N 0 1 296.414 3.574 20 0 CHADMN CC(C)[C@@H]1N(Cc2ccc(F)nc2)CC12CCCC2 ZINC000825337687 1131507139 /nfs/dbraw/zinc/50/71/39/1131507139.db2.gz IASSRHXANURBOS-HNNXBMFYSA-N 0 1 262.372 3.621 20 0 CHADMN CN(Cc1ncc(C(F)(F)F)[nH]1)[C@H]1CCc2ccccc21 ZINC001137022149 1131507550 /nfs/dbraw/zinc/50/75/50/1131507550.db2.gz SMTGMTLQJCYFCI-LBPRGKRZSA-N 0 1 295.308 3.548 20 0 CHADMN Cc1cccc2c1CN(Cc1ccc(N(C)C)s1)C2 ZINC001138489212 1131512337 /nfs/dbraw/zinc/51/23/37/1131512337.db2.gz GOYQWVKVHYSDNG-UHFFFAOYSA-N 0 1 272.417 3.638 20 0 CHADMN CC[C@@H](C)CC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831892978 1131518197 /nfs/dbraw/zinc/51/81/97/1131518197.db2.gz SVLOBYIDJVRTPJ-ZIAGYGMSSA-N 0 1 291.439 3.675 20 0 CHADMN CN(CCC1CC1)Cc1ccc(F)c(Cl)c1F ZINC001143627264 1131519506 /nfs/dbraw/zinc/51/95/06/1131519506.db2.gz HMQVZFLRISAARZ-UHFFFAOYSA-N 0 1 259.727 3.850 20 0 CHADMN COc1ccc(CN2CCCCC2)cc1C(F)(F)F ZINC001143629173 1131519710 /nfs/dbraw/zinc/51/97/10/1131519710.db2.gz VODOFOJZEOZRMR-UHFFFAOYSA-N 0 1 273.298 3.700 20 0 CHADMN CC(C)CCC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831917852 1131519913 /nfs/dbraw/zinc/51/99/13/1131519913.db2.gz FUDXFMCOOMTAEU-AWEZNQCLSA-N 0 1 291.439 3.675 20 0 CHADMN CCC(CC)C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831919789 1131521106 /nfs/dbraw/zinc/52/11/06/1131521106.db2.gz PVQBNIFMMOTJCA-AWEZNQCLSA-N 0 1 291.439 3.675 20 0 CHADMN Cc1cnc(CN2CCCCCCC2)cc1Br ZINC001143661505 1131522470 /nfs/dbraw/zinc/52/24/70/1131522470.db2.gz BXEHDLXOKXHCIG-UHFFFAOYSA-N 0 1 297.240 3.919 20 0 CHADMN F[C@H]1CCN(Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001138582561 1131523911 /nfs/dbraw/zinc/52/39/11/1131523911.db2.gz ZTGAJZXLIALBBN-HNNXBMFYSA-N 0 1 295.361 3.569 20 0 CHADMN C[C@@]1(F)CCCN(Cc2ccccc2N2CCCC2)C1 ZINC001138609842 1131526032 /nfs/dbraw/zinc/52/60/32/1131526032.db2.gz GSVPBJGLWUHGNL-QGZVFWFLSA-N 0 1 276.399 3.611 20 0 CHADMN CC1(F)CCN(Cc2cccn2-c2ccccc2F)CC1 ZINC001138631812 1131529874 /nfs/dbraw/zinc/52/98/74/1131529874.db2.gz CUYPSUCBRDNJST-UHFFFAOYSA-N 0 1 290.357 3.940 20 0 CHADMN CCCn1ncc(CN(CC)Cc2ccc(F)cc2)c1C ZINC001138640224 1131530867 /nfs/dbraw/zinc/53/08/67/1131530867.db2.gz JXLDZHYAZSGWFO-UHFFFAOYSA-N 0 1 289.398 3.763 20 0 CHADMN CCCn1ncc(CN2CC[C@H]2c2ccccc2)c1C ZINC001138640413 1131532271 /nfs/dbraw/zinc/53/22/71/1131532271.db2.gz PWQJHUSSKYWUHJ-KRWDZBQOSA-N 0 1 269.392 3.549 20 0 CHADMN CCCn1ncc(CN(CC)Cc2cccc(F)c2)c1C ZINC001138640560 1131532372 /nfs/dbraw/zinc/53/23/72/1131532372.db2.gz WQDASEAHVIVKMR-UHFFFAOYSA-N 0 1 289.398 3.763 20 0 CHADMN Fc1ccc(Cl)c(CN2CCCCC23CC3)c1 ZINC001138675474 1131534795 /nfs/dbraw/zinc/53/47/95/1131534795.db2.gz XOCWXQSXAYWITO-UHFFFAOYSA-N 0 1 253.748 3.998 20 0 CHADMN COc1c(F)cc(CN2CCC(C)(C)C2)cc1Cl ZINC001143847426 1131536822 /nfs/dbraw/zinc/53/68/22/1131536822.db2.gz MUOLXEJJULLACD-UHFFFAOYSA-N 0 1 271.763 3.720 20 0 CHADMN CSc1ncc(CN2CCC[C@H]2c2ccccc2C)cn1 ZINC001138704525 1131539350 /nfs/dbraw/zinc/53/93/50/1131539350.db2.gz JLBJDDPZDREZPM-INIZCTEOSA-N 0 1 299.443 3.844 20 0 CHADMN FC(F)(F)[C@H]1CCCN(Cc2ccc3c(c2)CCCO3)C1 ZINC001138716043 1131540088 /nfs/dbraw/zinc/54/00/88/1131540088.db2.gz YDCTWXNIGRADBU-AWEZNQCLSA-N 0 1 299.336 3.786 20 0 CHADMN O[C@H](c1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1)C1CC1 ZINC000844234925 1131541704 /nfs/dbraw/zinc/54/17/04/1131541704.db2.gz QRRZRYQNMZSBQJ-CYBMUJFWSA-N 0 1 282.265 3.539 20 0 CHADMN COc1ccc(Cl)c(CN2C[C@@H]3CCC[C@@H]3C2)c1F ZINC001143886260 1131548820 /nfs/dbraw/zinc/54/88/20/1131548820.db2.gz KWIKHYFKXNISFL-PHIMTYICSA-N 0 1 283.774 3.720 20 0 CHADMN CC(C)Oc1ccnc(CN2CC[C@H]2Cc2ccccc2)c1 ZINC000844307036 1131548839 /nfs/dbraw/zinc/54/88/39/1131548839.db2.gz NFAKPPASAAZTFZ-SFHVURJKSA-N 0 1 296.414 3.686 20 0 CHADMN O[C@H](CCN1CC2(CCC2)[C@H]1c1ccco1)c1ccccc1 ZINC000832237677 1131549360 /nfs/dbraw/zinc/54/93/60/1131549360.db2.gz VQLTWYWAFSIYBT-SJLPKXTDSA-N 0 1 297.398 3.930 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cccnc2F)cc1 ZINC001138788409 1131549420 /nfs/dbraw/zinc/54/94/20/1131549420.db2.gz CKOYCNIRPNEVEH-INIZCTEOSA-N 0 1 270.351 3.866 20 0 CHADMN COc1ccc(CN2CCC23CCCCC3)c(F)c1F ZINC001143905492 1131550825 /nfs/dbraw/zinc/55/08/25/1131550825.db2.gz VSVQPEVVTGAACT-UHFFFAOYSA-N 0 1 281.346 3.882 20 0 CHADMN COc1ccc(CN(C)CCc2cccs2)c(F)c1F ZINC001143910785 1131552267 /nfs/dbraw/zinc/55/22/67/1131552267.db2.gz MHQGYHDMNKTJFP-UHFFFAOYSA-N 0 1 297.370 3.709 20 0 CHADMN COc1ccc(CN2CCC[C@@H]3CCC[C@H]32)c(F)c1F ZINC001143915116 1131553571 /nfs/dbraw/zinc/55/35/71/1131553571.db2.gz VBJXAMCWZQXTLK-WCQYABFASA-N 0 1 281.346 3.738 20 0 CHADMN CCC[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)cc(F)c1O ZINC001143917609 1131554027 /nfs/dbraw/zinc/55/40/27/1131554027.db2.gz JGWBAYQFUSXUPI-QMTHXVAHSA-N 0 1 297.345 3.759 20 0 CHADMN Clc1cccc2c(CN3CCC[C@@]4(CCO4)C3)c[nH]c21 ZINC001138834256 1131554984 /nfs/dbraw/zinc/55/49/84/1131554984.db2.gz ZDOQHIKIJCAMTA-MRXNPFEDSA-N 0 1 290.794 3.576 20 0 CHADMN O=C(CCN1CCc2oc(-c3ccccc3)cc2C1)C1CC1 ZINC000844363970 1131555381 /nfs/dbraw/zinc/55/53/81/1131555381.db2.gz MBMWZISPGHRMSL-UHFFFAOYSA-N 0 1 295.382 3.674 20 0 CHADMN CCc1cccc(NC(=O)Nc2ncc(Cl)cc2O)c1 ZINC001202874338 1131557874 /nfs/dbraw/zinc/55/78/74/1131557874.db2.gz OPLMWKIDDCRTBS-UHFFFAOYSA-N 0 1 291.738 3.647 20 0 CHADMN CCOc1ccc(F)c(CN2C[C@@H]3CCC[C@@H]3C2)c1F ZINC001143930261 1131558157 /nfs/dbraw/zinc/55/81/57/1131558157.db2.gz DKMOTMIUDCOEQU-TXEJJXNPSA-N 0 1 281.346 3.595 20 0 CHADMN COCC[C@@H]1CCCCN1Cc1csc(C(C)C)n1 ZINC001138886856 1131558272 /nfs/dbraw/zinc/55/82/72/1131558272.db2.gz HZRXLXACASARFK-AWEZNQCLSA-N 0 1 282.453 3.658 20 0 CHADMN Cc1cnc(CN2CCCC[C@H]2Cc2ccccc2F)cn1 ZINC000844413411 1131559871 /nfs/dbraw/zinc/55/98/71/1131559871.db2.gz HZQVOHJJEHZPAP-KRWDZBQOSA-N 0 1 299.393 3.521 20 0 CHADMN CCC(=O)Oc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC001138965556 1131566111 /nfs/dbraw/zinc/56/61/11/1131566111.db2.gz VVBKVZYBGJHVLO-GOSISDBHSA-N 0 1 295.382 3.949 20 0 CHADMN CCC(=O)Oc1ccc(CN2CC[C@@H]2c2ccccc2)cc1 ZINC001138965556 1131566117 /nfs/dbraw/zinc/56/61/17/1131566117.db2.gz VVBKVZYBGJHVLO-GOSISDBHSA-N 0 1 295.382 3.949 20 0 CHADMN CC[C@H]1CCCCN1Cc1c(F)ccc(OC)c1F ZINC001143980563 1131566390 /nfs/dbraw/zinc/56/63/90/1131566390.db2.gz OWGPLKOCYATZMS-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN CCN(Cc1cccnc1)Cc1cccc(OC(C)C)c1 ZINC001138986322 1131568343 /nfs/dbraw/zinc/56/83/43/1131568343.db2.gz JCAXEPCBVDZUTK-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN CC(C)Oc1cccc(CN2CCc3cc(O)ccc3C2)c1 ZINC001138983415 1131568912 /nfs/dbraw/zinc/56/89/12/1131568912.db2.gz SEKIETPNGNNLSO-UHFFFAOYSA-N 0 1 297.398 3.738 20 0 CHADMN CCOc1ccc(Br)cc1CN1CC[C@H](C)C1 ZINC001138991445 1131570469 /nfs/dbraw/zinc/57/04/69/1131570469.db2.gz VCFAFVIUCAQEIJ-NSHDSACASA-N 0 1 298.224 3.690 20 0 CHADMN CCOc1c(F)cc(CN2CCC[C@H](CC)C2)cc1F ZINC001144030711 1131571058 /nfs/dbraw/zinc/57/10/58/1131571058.db2.gz KQPKRMGTUDHYTF-LBPRGKRZSA-N 0 1 283.362 3.986 20 0 CHADMN CCOc1c(F)cc(CN2CC[C@H]3CCC[C@@H]3C2)cc1F ZINC001144018797 1131571815 /nfs/dbraw/zinc/57/18/15/1131571815.db2.gz SYFRCLNCLAHHHM-ZIAGYGMSSA-N 0 1 295.373 3.986 20 0 CHADMN C[N@H+]1CCN(C(=O)CCC2CCCCC2)C[C@H]1C(C)(C)C ZINC001144024122 1131573022 /nfs/dbraw/zinc/57/30/22/1131573022.db2.gz HPJXNPIAMXHMQL-INIZCTEOSA-N 0 1 294.483 3.536 20 0 CHADMN CN1CCN(C(=O)CCC2CCCCC2)C[C@H]1C(C)(C)C ZINC001144024122 1131573028 /nfs/dbraw/zinc/57/30/28/1131573028.db2.gz HPJXNPIAMXHMQL-INIZCTEOSA-N 0 1 294.483 3.536 20 0 CHADMN CCc1cccc(NC(=O)Nc2cc(O)c(F)c(F)c2)c1 ZINC001202887553 1131573382 /nfs/dbraw/zinc/57/33/82/1131573382.db2.gz WUQWOKYKSOODBP-UHFFFAOYSA-N 0 1 292.285 3.877 20 0 CHADMN CCOc1c(F)cc(CN2CCCCCC2)cc1F ZINC001144023451 1131573638 /nfs/dbraw/zinc/57/36/38/1131573638.db2.gz VXSFFAWNWJELDM-UHFFFAOYSA-N 0 1 269.335 3.740 20 0 CHADMN CCOc1c(F)cc(CN2CCC[C@H](C)[C@H]2C)cc1F ZINC001144026845 1131574146 /nfs/dbraw/zinc/57/41/46/1131574146.db2.gz QWVDXEXYLIYQAY-NWDGAFQWSA-N 0 1 283.362 3.984 20 0 CHADMN CCCn1cc(CN2CCC(c3cccs3)CC2)cn1 ZINC001139040427 1131575961 /nfs/dbraw/zinc/57/59/61/1131575961.db2.gz COSCQBUAZXBGBJ-UHFFFAOYSA-N 0 1 289.448 3.734 20 0 CHADMN C[C@@]1(CO)CC[N@@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC001139052969 1131576641 /nfs/dbraw/zinc/57/66/41/1131576641.db2.gz GVMPLVNHKBDJCE-LJQANCHMSA-N 0 1 297.398 3.683 20 0 CHADMN CCN(Cc1cccc(-c2ccc(F)cc2)c1)C1COC1 ZINC001139066412 1131579440 /nfs/dbraw/zinc/57/94/40/1131579440.db2.gz GKMYDTLPADRTPQ-UHFFFAOYSA-N 0 1 285.362 3.713 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1cc2c(c(Cl)c1)OCO2 ZINC001139075815 1131580701 /nfs/dbraw/zinc/58/07/01/1131580701.db2.gz SAPGHZJOYNVMES-WDEREUQCSA-N 0 1 281.783 3.689 20 0 CHADMN Cc1n[nH]c(C)c1CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001139099837 1131582060 /nfs/dbraw/zinc/58/20/60/1131582060.db2.gz AIMVADFIXKTTHA-LBPRGKRZSA-N 0 1 277.799 3.873 20 0 CHADMN Cc1n[nH]c(C)c1CN1CCCC[C@@H]1c1ccccc1F ZINC001139099383 1131582710 /nfs/dbraw/zinc/58/27/10/1131582710.db2.gz YNKVERWWNOUMJQ-QGZVFWFLSA-N 0 1 287.382 3.893 20 0 CHADMN CCn1ccc2ccc(C[N@@H+](C)Cc3ccc(C)nc3)cc21 ZINC001139120492 1131583195 /nfs/dbraw/zinc/58/31/95/1131583195.db2.gz SYYWNPYBZOJAPR-UHFFFAOYSA-N 0 1 293.414 3.997 20 0 CHADMN CCn1ccc2ccc(CN(C)Cc3ccc(C)nc3)cc21 ZINC001139120492 1131583198 /nfs/dbraw/zinc/58/31/98/1131583198.db2.gz SYYWNPYBZOJAPR-UHFFFAOYSA-N 0 1 293.414 3.997 20 0 CHADMN CCn1ccc2ccc(CN3CC4(C3)CC(F)(F)C4)cc21 ZINC001139119297 1131583361 /nfs/dbraw/zinc/58/33/61/1131583361.db2.gz KGOKWKOWCZTMJV-UHFFFAOYSA-N 0 1 290.357 3.892 20 0 CHADMN CCn1ccc2ccc(CN(C)Cc3cccnc3)cc21 ZINC001139119331 1131583668 /nfs/dbraw/zinc/58/36/68/1131583668.db2.gz LOKZXVVQYFURNZ-UHFFFAOYSA-N 0 1 279.387 3.688 20 0 CHADMN CCn1ccc2ccc(CN3CCO[C@@H](C(C)C)C3)cc21 ZINC001139124962 1131584176 /nfs/dbraw/zinc/58/41/76/1131584176.db2.gz XSQPPYHREZSJIO-GOSISDBHSA-N 0 1 286.419 3.518 20 0 CHADMN COc1cc(O)ccc1CN1CCc2ccccc2[C@@H]1C ZINC001139138206 1131584232 /nfs/dbraw/zinc/58/42/32/1131584232.db2.gz MVEWNKMYVUJCJF-ZDUSSCGKSA-N 0 1 283.371 3.520 20 0 CHADMN CCn1ccc2c1cccc2CN(C)Cc1cncs1 ZINC001139155392 1131587601 /nfs/dbraw/zinc/58/76/01/1131587601.db2.gz OTHWFBHDZYTFAJ-UHFFFAOYSA-N 0 1 285.416 3.750 20 0 CHADMN O=C1CCN(Cc2ccc3cccnc3c2)[C@@H]2CCCC[C@@H]12 ZINC001139164829 1131590138 /nfs/dbraw/zinc/59/01/38/1131590138.db2.gz SRWZFJIRWWDILS-SJLPKXTDSA-N 0 1 294.398 3.568 20 0 CHADMN Cc1ccc([C@@H]2CCCN2CN2C(=O)CC23CCCC3)cc1 ZINC000844683499 1131593465 /nfs/dbraw/zinc/59/34/65/1131593465.db2.gz VMIKGEZKXQPFEQ-KRWDZBQOSA-N 0 1 298.430 3.635 20 0 CHADMN Cc1cccc2[nH]cc(CN3CCOc4ccccc4C3)c21 ZINC001139197376 1131595141 /nfs/dbraw/zinc/59/51/41/1131595141.db2.gz MJBWOWDCZFMSGJ-UHFFFAOYSA-N 0 1 292.382 3.871 20 0 CHADMN Cn1ccc2ccc(CN3CCC(=O)[C@H]4CCCC[C@@H]43)cc21 ZINC001139204237 1131596275 /nfs/dbraw/zinc/59/62/75/1131596275.db2.gz LKEMEHRTDGNGPB-IRXDYDNUSA-N 0 1 296.414 3.512 20 0 CHADMN Cn1ccc2ccc(CN3CCC(=O)[C@@H]4CCCC[C@@H]43)cc21 ZINC001139204238 1131596848 /nfs/dbraw/zinc/59/68/48/1131596848.db2.gz LKEMEHRTDGNGPB-SJORKVTESA-N 0 1 296.414 3.512 20 0 CHADMN Cc1ccc(C[N@@H+](C)Cc2ccc3nsnc3c2)cc1C ZINC001139216241 1131597218 /nfs/dbraw/zinc/59/72/18/1131597218.db2.gz VOKILWMGHDIMQJ-UHFFFAOYSA-N 0 1 297.427 3.940 20 0 CHADMN Cn1ccc2ccc(C[N@H+]3CCc4cc(F)ccc4C3)cc21 ZINC001139207572 1131598036 /nfs/dbraw/zinc/59/80/36/1131598036.db2.gz GSSJXMCGDXBZQY-UHFFFAOYSA-N 0 1 294.373 3.876 20 0 CHADMN Cn1ccc2ccc(CN3CCc4cc(F)ccc4C3)cc21 ZINC001139207572 1131598040 /nfs/dbraw/zinc/59/80/40/1131598040.db2.gz GSSJXMCGDXBZQY-UHFFFAOYSA-N 0 1 294.373 3.876 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1[nH]nc2ccc(F)cc21 ZINC001144202540 1131599017 /nfs/dbraw/zinc/59/90/17/1131599017.db2.gz UFTVJJIAPGAQFH-LBPRGKRZSA-N 0 1 295.361 3.649 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@@H](C)c2ccc(Cl)cc2)n1 ZINC000844906475 1131607453 /nfs/dbraw/zinc/60/74/53/1131607453.db2.gz OTXHPSJVHOWEFH-JOYOIKCWSA-N 0 1 279.771 3.531 20 0 CHADMN FC[C@H]1CCCN1Cc1ccc(-c2ccccc2)nc1 ZINC001139526485 1131613844 /nfs/dbraw/zinc/61/38/44/1131613844.db2.gz XMCFZRSIVVQEKL-MRXNPFEDSA-N 0 1 270.351 3.683 20 0 CHADMN Cc1cc(CN2CCC[C@](C)(F)CC2)cnc1Cl ZINC001139540910 1131614749 /nfs/dbraw/zinc/61/47/49/1131614749.db2.gz JQPGVCQLRVVBIK-AWEZNQCLSA-N 0 1 270.779 3.758 20 0 CHADMN COc1ccc(CN2CC[C@H]2C)c(OCc2ccccc2)c1 ZINC001139558846 1131616443 /nfs/dbraw/zinc/61/64/43/1131616443.db2.gz YMVMGZHKMHQFDG-OAHLLOKOSA-N 0 1 297.398 3.868 20 0 CHADMN O[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2Cl)C1 ZINC001139572318 1131617637 /nfs/dbraw/zinc/61/76/37/1131617637.db2.gz NEKHEVRMTCPTRB-CQSZACIVSA-N 0 1 287.790 3.574 20 0 CHADMN Cc1cnc(Cl)c(CN(C)CCc2cccs2)c1 ZINC001139591219 1131618464 /nfs/dbraw/zinc/61/84/64/1131618464.db2.gz PIXJFVMMYOZGFQ-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN Cc1cnc(Cl)c(CN2CC[C@H](C)C[C@@H]2C)c1 ZINC001139591221 1131618571 /nfs/dbraw/zinc/61/85/71/1131618571.db2.gz PJIYUUCYFZLFEX-JQWIXIFHSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1cnc(Cl)c(CN2[C@H](C)CCC[C@H]2C)c1 ZINC001139587637 1131618692 /nfs/dbraw/zinc/61/86/92/1131618692.db2.gz BCQRBJAEAVOXQS-VXGBXAGGSA-N 0 1 252.789 3.806 20 0 CHADMN Cc1cnc(Cl)c(CN2CC[C@@H](C)C(F)(F)CC2)c1 ZINC001139589328 1131618721 /nfs/dbraw/zinc/61/87/21/1131618721.db2.gz JLUYARQFEVHISY-LLVKDONJSA-N 0 1 288.769 3.911 20 0 CHADMN CCc1cccc(C[N@H+]2CC[C@H](C(=O)c3ccccc3)C2)c1 ZINC001144326665 1131618897 /nfs/dbraw/zinc/61/88/97/1131618897.db2.gz LSUAZYNIVLDVNN-IBGZPJMESA-N 0 1 293.410 3.954 20 0 CHADMN CCOc1ccc(CN2CCCC[C@H]2COC)cc1Cl ZINC001139594423 1131619580 /nfs/dbraw/zinc/61/95/80/1131619580.db2.gz FHUZTPRQKQPPSX-AWEZNQCLSA-N 0 1 297.826 3.740 20 0 CHADMN Cc1cnc(Cl)c(CN(C)CC2CCCC2)c1 ZINC001139596281 1131619675 /nfs/dbraw/zinc/61/96/75/1131619675.db2.gz VKURRXBVTTXPHD-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN Cc1cnc(Cl)c(CN2CCCCC23CC3)c1 ZINC001139596122 1131619914 /nfs/dbraw/zinc/61/99/14/1131619914.db2.gz SIYPOOFFDWYOSJ-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN COc1cc(CN2CCC(C)(C)C2)ccc1Cl ZINC001139621531 1131623545 /nfs/dbraw/zinc/62/35/45/1131623545.db2.gz KASATIWIAXSGJM-UHFFFAOYSA-N 0 1 253.773 3.581 20 0 CHADMN COc1cc(CN2CCC[C@@H](C(F)F)C2)ccc1Cl ZINC001139621573 1131623800 /nfs/dbraw/zinc/62/38/00/1131623800.db2.gz LYIBFFKYLSRMPT-LLVKDONJSA-N 0 1 289.753 3.826 20 0 CHADMN CC(C)[C@H]1CN(Cc2ccc(-c3cccnc3)cc2)CCO1 ZINC001139644898 1131625646 /nfs/dbraw/zinc/62/56/46/1131625646.db2.gz UOXQXHZJDTZTCS-LJQANCHMSA-N 0 1 296.414 3.605 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc(-c2cccnc2)cc1 ZINC001139639816 1131626106 /nfs/dbraw/zinc/62/61/06/1131626106.db2.gz KYFJFMAYYRYZNS-UHFFFAOYSA-N 0 1 289.382 3.776 20 0 CHADMN Cc1nc2cc(C)ccn2c1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001139677589 1131627520 /nfs/dbraw/zinc/62/75/20/1131627520.db2.gz OWKYJCZQNYZSFO-HOTGVXAUSA-N 0 1 283.419 3.716 20 0 CHADMN Cc1nc2cc(C)ccn2c1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001139677589 1131627522 /nfs/dbraw/zinc/62/75/22/1131627522.db2.gz OWKYJCZQNYZSFO-HOTGVXAUSA-N 0 1 283.419 3.716 20 0 CHADMN CC(C)N(Cc1cn2ccncc2n1)[C@@H](C)c1ccccc1 ZINC001139700880 1131629931 /nfs/dbraw/zinc/62/99/31/1131629931.db2.gz ZNERDRRQMBBEHK-HNNXBMFYSA-N 0 1 294.402 3.701 20 0 CHADMN Cc1ccccc1CN(C)Cc1cnc2cccnc2c1 ZINC001139741884 1131633817 /nfs/dbraw/zinc/63/38/17/1131633817.db2.gz OMPNLHMNKWRCGH-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1cc(Cl)cnc1OC ZINC001139749518 1131634481 /nfs/dbraw/zinc/63/44/81/1131634481.db2.gz CUDFJLJJWZCWEF-CQSZACIVSA-N 0 1 282.815 3.898 20 0 CHADMN COc1ncc(Cl)cc1CN1CCC2(CCCC2)C1 ZINC001139749650 1131634718 /nfs/dbraw/zinc/63/47/18/1131634718.db2.gz GUFRSFWALAPDTR-UHFFFAOYSA-N 0 1 280.799 3.510 20 0 CHADMN COCc1ccc(CN2CCC[C@@H]2c2ccccn2)s1 ZINC001139827061 1131639631 /nfs/dbraw/zinc/63/96/31/1131639631.db2.gz MLJADDDEFOWKON-MRXNPFEDSA-N 0 1 288.416 3.627 20 0 CHADMN CCN(Cc1ccnc(F)c1)Cc1ccc(C)c(C)c1 ZINC001139835900 1131639899 /nfs/dbraw/zinc/63/98/99/1131639899.db2.gz SAOMODOHRQRMBX-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN c1ccc2cc(C[N@H+]3CCc4ccccc4C3)ncc2c1 ZINC001139993967 1131654911 /nfs/dbraw/zinc/65/49/11/1131654911.db2.gz HBBORKJVIRMOMT-UHFFFAOYSA-N 0 1 274.367 3.793 20 0 CHADMN c1ccc2cc(CN3CCc4ccccc4C3)ncc2c1 ZINC001139993967 1131654914 /nfs/dbraw/zinc/65/49/14/1131654914.db2.gz HBBORKJVIRMOMT-UHFFFAOYSA-N 0 1 274.367 3.793 20 0 CHADMN CCC[N@@H+](Cc1ccccc1)Cc1ccnc(SC)n1 ZINC001140037896 1131659107 /nfs/dbraw/zinc/65/91/07/1131659107.db2.gz HFFZGFUDZKNMNI-UHFFFAOYSA-N 0 1 287.432 3.611 20 0 CHADMN CCCN(Cc1ccccc1)Cc1ccnc(SC)n1 ZINC001140037896 1131659111 /nfs/dbraw/zinc/65/91/11/1131659111.db2.gz HFFZGFUDZKNMNI-UHFFFAOYSA-N 0 1 287.432 3.611 20 0 CHADMN COc1ccc2n[nH]c(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)c2c1 ZINC001140069053 1131661751 /nfs/dbraw/zinc/66/17/51/1131661751.db2.gz HTLDQQBWQVOZMN-SCLBCKFNSA-N 0 1 299.418 3.726 20 0 CHADMN COc1ccc2n[nH]c(CN3CCC[C@@H]4CCCC[C@H]43)c2c1 ZINC001140069053 1131661760 /nfs/dbraw/zinc/66/17/60/1131661760.db2.gz HTLDQQBWQVOZMN-SCLBCKFNSA-N 0 1 299.418 3.726 20 0 CHADMN COc1ccc2[nH]nc(CN3CCC[C@@H]4CCCC[C@H]43)c2c1 ZINC001140069053 1131661763 /nfs/dbraw/zinc/66/17/63/1131661763.db2.gz HTLDQQBWQVOZMN-SCLBCKFNSA-N 0 1 299.418 3.726 20 0 CHADMN Oc1ccc(CN2CCCCC23CC3)c(Cl)c1 ZINC001140082912 1131662926 /nfs/dbraw/zinc/66/29/26/1131662926.db2.gz DDYOQDQIMBWUBT-UHFFFAOYSA-N 0 1 251.757 3.564 20 0 CHADMN FC(F)(F)c1ccnc(CN2CCC[C@@H]3CCC[C@@H]32)c1 ZINC001140107681 1131664721 /nfs/dbraw/zinc/66/47/21/1131664721.db2.gz BFJQALPLYCZEQA-FZMZJTMJSA-N 0 1 284.325 3.865 20 0 CHADMN Oc1ccc(CN2CCC[C@H]2c2cccs2)c(F)c1 ZINC001140127434 1131665838 /nfs/dbraw/zinc/66/58/38/1131665838.db2.gz UEWIEEVYWSDQAE-AWEZNQCLSA-N 0 1 277.364 3.930 20 0 CHADMN CCn1c2ccccc2c2cc(-n3cnc(C)c3N)ccc21 ZINC001203006948 1131668632 /nfs/dbraw/zinc/66/86/32/1131668632.db2.gz PUEJQXJLVFGROJ-UHFFFAOYSA-N 0 1 290.370 3.891 20 0 CHADMN Cc1cccc2c1CCN(Cc1cc3cnccc3o1)C2 ZINC000845911600 1131669402 /nfs/dbraw/zinc/66/94/02/1131669402.db2.gz KMTPJJPQVZFBLX-UHFFFAOYSA-N 0 1 278.355 3.695 20 0 CHADMN c1cc(-c2ccc(CN3CCOCC34CCC4)cc2)ccn1 ZINC001140171026 1131671331 /nfs/dbraw/zinc/67/13/31/1131671331.db2.gz DZKKKWSNVQMBTL-UHFFFAOYSA-N 0 1 294.398 3.504 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1F ZINC001144646773 1131673886 /nfs/dbraw/zinc/67/38/86/1131673886.db2.gz JRSCYOSIYCKXII-CYBMUJFWSA-N 0 1 289.325 3.660 20 0 CHADMN CCC[N@@H+](Cc1cc(F)c([O-])cc1F)[C@H](C)CC ZINC001144646724 1131673945 /nfs/dbraw/zinc/67/39/45/1131673945.db2.gz IIPISWLLISWQBD-SNVBAGLBSA-N 0 1 257.324 3.681 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc1F ZINC001144657663 1131675527 /nfs/dbraw/zinc/67/55/27/1131675527.db2.gz CKAZZFZWQNBEGX-ABAIWWIYSA-N 0 1 281.346 3.825 20 0 CHADMN CN(C)Cc1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001140213656 1131678161 /nfs/dbraw/zinc/67/81/61/1131678161.db2.gz MSLUZZPWBFVTIA-UHFFFAOYSA-N 0 1 286.322 3.891 20 0 CHADMN CCCN(CCC)c1ccc(NCc2n[nH]cc2C)cc1 ZINC000846056478 1131679013 /nfs/dbraw/zinc/67/90/13/1131679013.db2.gz GSPFBFJTWXFBJK-UHFFFAOYSA-N 0 1 286.423 3.957 20 0 CHADMN Oc1cccc2[nH]cc(CN3CC[C@H]3c3ccccc3)c21 ZINC001140235907 1131679746 /nfs/dbraw/zinc/67/97/46/1131679746.db2.gz SMZAPGXHNRXSQG-INIZCTEOSA-N 0 1 278.355 3.821 20 0 CHADMN C[C@H]1CC(C)(C)CN1Cc1ccn(CCc2ccccc2)n1 ZINC001171208169 1131682009 /nfs/dbraw/zinc/68/20/09/1131682009.db2.gz MIOQWCXKAQGEJT-INIZCTEOSA-N 0 1 297.446 3.746 20 0 CHADMN CCOc1ccc2[nH]cc(CN3CCCC[C@H](F)C3)c2c1 ZINC001140267664 1131685531 /nfs/dbraw/zinc/68/55/31/1131685531.db2.gz KFBNSJDFHDMYSY-AWEZNQCLSA-N 0 1 290.382 3.891 20 0 CHADMN CC(C)c1ncc(CN2CCC[C@@]3(CC3(F)F)C2)s1 ZINC000846107734 1131686910 /nfs/dbraw/zinc/68/69/10/1131686910.db2.gz JPVRRFFMVSTNJN-CYBMUJFWSA-N 0 1 286.391 3.888 20 0 CHADMN Fc1ccccc1-c1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)o1 ZINC000846111377 1131687311 /nfs/dbraw/zinc/68/73/11/1131687311.db2.gz OTTFTNHYZSZTKE-BETUJISGSA-N 0 1 293.288 3.783 20 0 CHADMN COc1cccc2c1CN(Cc1ccc3c(c1)CCC3)CC2 ZINC001203019474 1131687278 /nfs/dbraw/zinc/68/72/78/1131687278.db2.gz VMZZXNUNNJAXMP-UHFFFAOYSA-N 0 1 293.410 3.742 20 0 CHADMN Clc1cnc(CNCCC[C@H]2CC2(Cl)Cl)s1 ZINC000846104043 1131690688 /nfs/dbraw/zinc/69/06/88/1131690688.db2.gz CEVCBDAQNGPSDW-ZETCQYMHSA-N 0 1 299.654 3.860 20 0 CHADMN Fc1cc(Cl)c(CN2C[C@@H]3CCC[C@@H]3C2)cc1F ZINC001144722376 1131695141 /nfs/dbraw/zinc/69/51/41/1131695141.db2.gz WNAJOSAPLGUTOY-AOOOYVTPSA-N 0 1 271.738 3.850 20 0 CHADMN COc1ccc(CN(C)Cc2n[nH]c3ccc(C)cc32)cc1 ZINC001140327044 1131697674 /nfs/dbraw/zinc/69/76/74/1131697674.db2.gz LDXKEMQOFUOGGD-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN COc1ccc(CN(C)Cc2[nH]nc3ccc(C)cc32)cc1 ZINC001140327044 1131697677 /nfs/dbraw/zinc/69/76/77/1131697677.db2.gz LDXKEMQOFUOGGD-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN CN(Cc1ccncc1)Cc1cccc(-c2nccs2)c1 ZINC001140335664 1131701271 /nfs/dbraw/zinc/70/12/71/1131701271.db2.gz JQCBUWZQIDHFJM-UHFFFAOYSA-N 0 1 295.411 3.837 20 0 CHADMN Cc1ccc2n[nH]c(CN(Cc3ccco3)C3CC3)c2c1 ZINC001140334016 1131701713 /nfs/dbraw/zinc/70/17/13/1131701713.db2.gz ZQPVCHCXJDUURQ-UHFFFAOYSA-N 0 1 281.359 3.629 20 0 CHADMN COc1c(F)ccc(F)c1CN(CC1CC1)C(C)C ZINC001144754320 1131701931 /nfs/dbraw/zinc/70/19/31/1131701931.db2.gz FCOAAELBFGROCC-UHFFFAOYSA-N 0 1 269.335 3.594 20 0 CHADMN BrC1(CN(Cc2ccccc2)C2CC2)CC1 ZINC000846763960 1131724745 /nfs/dbraw/zinc/72/47/45/1131724745.db2.gz CDPBXWJLVFRCBR-UHFFFAOYSA-N 0 1 280.209 3.579 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCC2(CCCC2)C1 ZINC001144755096 1131703043 /nfs/dbraw/zinc/70/30/43/1131703043.db2.gz RXVKVVGEOVBPDY-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001144755736 1131703049 /nfs/dbraw/zinc/70/30/49/1131703049.db2.gz UXJKQYPASQUNFX-NHYWBVRUSA-N 0 1 281.346 3.738 20 0 CHADMN C[N@@H+](Cc1ccccc1C(=O)[O-])C1CCCCCCC1 ZINC000846243213 1131703344 /nfs/dbraw/zinc/70/33/44/1131703344.db2.gz DLNAKSIEVCOOKD-UHFFFAOYSA-N 0 1 275.392 3.930 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCC[C@H]2CCC[C@H]21 ZINC001144755735 1131703398 /nfs/dbraw/zinc/70/33/98/1131703398.db2.gz UXJKQYPASQUNFX-IAQYHMDHSA-N 0 1 281.346 3.738 20 0 CHADMN CC(C)Cc1ccc(C[N@H+](CCC(=O)[O-])CC(C)C)cc1 ZINC000846265685 1131703876 /nfs/dbraw/zinc/70/38/76/1131703876.db2.gz NSRUOWVKVAGUEI-UHFFFAOYSA-N 0 1 291.435 3.818 20 0 CHADMN CCCC[C@@H](N[C@@H]1CCn2ccnc21)c1ccccc1 ZINC000834835667 1131709929 /nfs/dbraw/zinc/70/99/29/1131709929.db2.gz IIJAOBGXOOWJTQ-HZPDHXFCSA-N 0 1 269.392 3.849 20 0 CHADMN CCc1ccc([C@@H](CC)N[C@@H]2CCn3ccnc32)cc1 ZINC000834836842 1131710284 /nfs/dbraw/zinc/71/02/84/1131710284.db2.gz PMWMIJDETWYFFG-HZPDHXFCSA-N 0 1 269.392 3.631 20 0 CHADMN Fc1ccccc1-c1ncc(C[N@H+]2CCC3(CCC3)C2)cn1 ZINC001140405365 1131713905 /nfs/dbraw/zinc/71/39/05/1131713905.db2.gz RHJWRIRBEXNRPT-UHFFFAOYSA-N 0 1 297.377 3.659 20 0 CHADMN C[N@H+](Cc1cnc(-c2ccccc2F)nc1)C[C@H]1CC1(C)C ZINC001140405311 1131714558 /nfs/dbraw/zinc/71/45/58/1131714558.db2.gz PXUVGFGRZOIKBQ-CQSZACIVSA-N 0 1 299.393 3.761 20 0 CHADMN CSc1cc(NC(=O)c2cn[nH]c2C2CC2)ccc1C ZINC000846620004 1131717451 /nfs/dbraw/zinc/71/74/51/1131717451.db2.gz DULPBWPFIOCESS-UHFFFAOYSA-N 0 1 287.388 3.570 20 0 CHADMN Cc1cccc(OCCCN[C@H](C)c2nccs2)c1 ZINC000772949510 1131720129 /nfs/dbraw/zinc/72/01/29/1131720129.db2.gz CAKWQXOYJWDEPF-CYBMUJFWSA-N 0 1 276.405 3.571 20 0 CHADMN C[C@@H]1CCN1Cc1cnc(-c2cccc(F)c2)s1 ZINC001140416494 1131720812 /nfs/dbraw/zinc/72/08/12/1131720812.db2.gz GTHTWQWWNIWCQV-SNVBAGLBSA-N 0 1 262.353 3.543 20 0 CHADMN CCc1ncc(CN[C@H](c2ccccc2C)C2CC2)o1 ZINC000834898295 1131724168 /nfs/dbraw/zinc/72/41/68/1131724168.db2.gz BLVCUKFBCBHQPH-KRWDZBQOSA-N 0 1 270.376 3.786 20 0 CHADMN c1cc(CN2CCOC3(CCCCC3)C2)cc2c1CCC2 ZINC001203035359 1131729413 /nfs/dbraw/zinc/72/94/13/1131729413.db2.gz YWPXTNLEDJMDQB-UHFFFAOYSA-N 0 1 285.431 3.710 20 0 CHADMN Cc1nc2cc(N[C@H]3CCOC4(CCCC4)C3)ccc2n1C ZINC000846752663 1131729666 /nfs/dbraw/zinc/72/96/66/1131729666.db2.gz DTMKYDISODTQCN-HNNXBMFYSA-N 0 1 299.418 3.785 20 0 CHADMN Fc1ccccc1[C@H]1CCN(CC2(Br)CC2)C1 ZINC000846802597 1131741708 /nfs/dbraw/zinc/74/17/08/1131741708.db2.gz IYNWCYRIDGIXFQ-NSHDSACASA-N 0 1 298.199 3.543 20 0 CHADMN CN(CCc1ccccc1F)Cc1cnc(Cl)c(F)c1 ZINC000846804014 1131742739 /nfs/dbraw/zinc/74/27/39/1131742739.db2.gz WMDMDTGFBOMACQ-UHFFFAOYSA-N 0 1 296.748 3.688 20 0 CHADMN CCOc1ccc(O[C@@H]2CCC[N@H+](C(C)C)C2)c(F)c1F ZINC001227879523 1131758415 /nfs/dbraw/zinc/75/84/15/1131758415.db2.gz MGYQGXXEIOTEEV-GFCCVEGCSA-N 0 1 299.361 3.615 20 0 CHADMN Cc1cccc(-c2nnc([C@@H](C)N[C@@H]3CCC3(C)C)o2)c1 ZINC000846958126 1131764390 /nfs/dbraw/zinc/76/43/90/1131764390.db2.gz CAGQCOLFBINJMZ-TZMCWYRMSA-N 0 1 285.391 3.884 20 0 CHADMN CC1(C)CC[C@H]1NCc1nc(Cl)ccc1Cl ZINC000846963519 1131765212 /nfs/dbraw/zinc/76/52/12/1131765212.db2.gz YVUOEYNSATUNMD-SNVBAGLBSA-N 0 1 259.180 3.667 20 0 CHADMN Fc1cc(Cl)cc(CN2CCC[C@@H](F)CC2)c1 ZINC001140536565 1131783904 /nfs/dbraw/zinc/78/39/04/1131783904.db2.gz FLVPAGRQTSQVGM-GFCCVEGCSA-N 0 1 259.727 3.803 20 0 CHADMN Fc1cc(Cl)cc(CN2CC3CCC2CC3)c1 ZINC001140539041 1131785423 /nfs/dbraw/zinc/78/54/23/1131785423.db2.gz SVLMJIMMPUEJDJ-UHFFFAOYSA-N 0 1 253.748 3.854 20 0 CHADMN CC(C)N1CCN(Cc2cc(Cl)sc2Cl)CC1 ZINC001140584678 1131808949 /nfs/dbraw/zinc/80/89/49/1131808949.db2.gz BAJRYMNWZPVZPP-UHFFFAOYSA-N 0 1 293.263 3.581 20 0 CHADMN CCN1CCN(Cc2cc(Cl)sc2Cl)[C@H](C)C1 ZINC001140588215 1131811719 /nfs/dbraw/zinc/81/17/19/1131811719.db2.gz HMXCNAIEOCBSCA-SECBINFHSA-N 0 1 293.263 3.581 20 0 CHADMN c1sc2ccccc2c1CN1CCCCC12COC2 ZINC001140637954 1131837964 /nfs/dbraw/zinc/83/79/64/1131837964.db2.gz BGGSTDZMJKDCOL-UHFFFAOYSA-N 0 1 273.401 3.656 20 0 CHADMN CC(=O)c1c(O[C@H]2CN3CCC2CC3)ccc2ccccc21 ZINC001228248208 1131838177 /nfs/dbraw/zinc/83/81/77/1131838177.db2.gz RKCMHRXARZXXPD-SFHVURJKSA-N 0 1 295.382 3.515 20 0 CHADMN C[C@@]1(F)CCN(Cc2cccc3ccncc32)C[C@H]1F ZINC001140640347 1131841283 /nfs/dbraw/zinc/84/12/83/1131841283.db2.gz MCAQPQSBBLBMIL-HZPDHXFCSA-N 0 1 276.330 3.507 20 0 CHADMN Cc1nc2c(s1)C[N@@H+](Cc1cccc3ccncc31)CC2 ZINC001140643675 1131843461 /nfs/dbraw/zinc/84/34/61/1131843461.db2.gz HRIWOWJENCBNCN-UHFFFAOYSA-N 0 1 295.411 3.558 20 0 CHADMN Cc1nc2c(s1)CN(Cc1cccc3ccncc31)CC2 ZINC001140643675 1131843465 /nfs/dbraw/zinc/84/34/65/1131843465.db2.gz HRIWOWJENCBNCN-UHFFFAOYSA-N 0 1 295.411 3.558 20 0 CHADMN COc1ccc(CN2CCc3cc(OC)ccc3C2)c(C)c1 ZINC001140675153 1131858112 /nfs/dbraw/zinc/85/81/12/1131858112.db2.gz GRZAYKWMHMWGJP-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN CCOc1cc(C)c(O[C@H]2CCCN(CC)C2)c(F)c1F ZINC001228358741 1131868861 /nfs/dbraw/zinc/86/88/61/1131868861.db2.gz KLWXAMULGQVLET-LBPRGKRZSA-N 0 1 299.361 3.535 20 0 CHADMN COC[C@@H](NCCc1ccco1)c1cccc(Cl)c1F ZINC000348103895 1131880566 /nfs/dbraw/zinc/88/05/66/1131880566.db2.gz MTGCKHICZHQDSS-CQSZACIVSA-N 0 1 297.757 3.592 20 0 CHADMN CN(C)Cc1c(O[C@H]2CCCCC2=O)ccc2ccccc21 ZINC001228441541 1131885270 /nfs/dbraw/zinc/88/52/70/1131885270.db2.gz MBFRSCDBTJKZCB-IBGZPJMESA-N 0 1 297.398 3.792 20 0 CHADMN c1cnn(-c2ccncc2NCc2coc3ccccc23)c1 ZINC000348134511 1131886809 /nfs/dbraw/zinc/88/68/09/1131886809.db2.gz JGOSFPBDJOQJPF-UHFFFAOYSA-N 0 1 290.326 3.626 20 0 CHADMN FC(F)(F)c1ccc2c(c1)CCN(Cc1cc[nH]c1)C2 ZINC001140708197 1131887313 /nfs/dbraw/zinc/88/73/13/1131887313.db2.gz SUQVPKGODFHHSK-UHFFFAOYSA-N 0 1 280.293 3.592 20 0 CHADMN C[C@@H](Oc1[nH]c(=O)ncc1Cl)c1csc(Cl)c1 ZINC001228479246 1131891865 /nfs/dbraw/zinc/89/18/65/1131891865.db2.gz CAUSUQAXIUHYQD-RXMQYKEDSA-N 0 1 291.159 3.691 20 0 CHADMN CC[C@H](NCc1cc(C)c(O)c(C)c1)c1c(C)noc1C ZINC000348143595 1131892751 /nfs/dbraw/zinc/89/27/51/1131892751.db2.gz POQKBIYNOPWFJR-HNNXBMFYSA-N 0 1 288.391 3.855 20 0 CHADMN CCC[C@@H](Oc1[nH]c(=O)ncc1Cl)c1ccccc1 ZINC001228483498 1131893504 /nfs/dbraw/zinc/89/35/04/1131893504.db2.gz ULDOCGYJNZUAIO-GFCCVEGCSA-N 0 1 278.739 3.756 20 0 CHADMN Cc1nc(CN2CCCC3(CCC3)C2)c(C)s1 ZINC000348172896 1131899189 /nfs/dbraw/zinc/89/91/89/1131899189.db2.gz ZXJKIOXVLBZKDS-UHFFFAOYSA-N 0 1 250.411 3.526 20 0 CHADMN CC[C@@]1(C)CCCN([C@@H](C)C(=O)c2c[nH]c3ncccc23)C1 ZINC000348181052 1131900646 /nfs/dbraw/zinc/90/06/46/1131900646.db2.gz IIBBACDNBNNFFX-UGSOOPFHSA-N 0 1 299.418 3.646 20 0 CHADMN CCN(Cc1coc2ccccc12)Cc1cccnc1 ZINC001140785780 1131918064 /nfs/dbraw/zinc/91/80/64/1131918064.db2.gz UGXWNCVPHLSMCH-UHFFFAOYSA-N 0 1 266.344 3.850 20 0 CHADMN CC1(C)CCN(Cc2cc(O)cc(Cl)c2)CC1 ZINC001140794653 1131921575 /nfs/dbraw/zinc/92/15/75/1131921575.db2.gz UEUOCHVGITVURC-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN Oc1cc(Cl)cc(CN2CCCCC23CC3)c1 ZINC001140797622 1131923047 /nfs/dbraw/zinc/92/30/47/1131923047.db2.gz IXZXWGCOPKCXHF-UHFFFAOYSA-N 0 1 251.757 3.564 20 0 CHADMN c1cc2c(cccc2CNc2ccc3nc[nH]c3n2)s1 ZINC001171376424 1131932231 /nfs/dbraw/zinc/93/22/31/1131932231.db2.gz WMCAUFIECYUVIE-UHFFFAOYSA-N 0 1 280.356 3.785 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@@H](C)c1ccoc1)CCC2 ZINC000773065289 1131933225 /nfs/dbraw/zinc/93/32/25/1131933225.db2.gz OOEUMMCEKIREBG-CABZTGNLSA-N 0 1 262.378 3.773 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc(F)n2)cc1C ZINC000773084532 1131938834 /nfs/dbraw/zinc/93/88/34/1131938834.db2.gz CGRLZNBKSVKASN-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1cc(C)c([C@H](C)NCc2cccc(F)n2)cc1C ZINC000773087373 1131941450 /nfs/dbraw/zinc/94/14/50/1131941450.db2.gz KYKSQLSVDHSOFQ-AWEZNQCLSA-N 0 1 272.367 3.997 20 0 CHADMN COc1cc(C)ccc1[C@H](C)N[C@H](C)c1ccc[nH]1 ZINC000773117294 1131948937 /nfs/dbraw/zinc/94/89/37/1131948937.db2.gz ICJMRMCNSIEDTP-QWHCGFSZSA-N 0 1 258.365 3.744 20 0 CHADMN CC(C)C[C@H](NCc1cnn(C)c1Cl)c1ccccc1 ZINC000712485984 1131957273 /nfs/dbraw/zinc/95/72/73/1131957273.db2.gz BRZOADWHGHXHNB-HNNXBMFYSA-N 0 1 291.826 3.951 20 0 CHADMN Cn1ncc(CN[C@H](c2ccccc2)C(C)(C)C)c1Cl ZINC000712489926 1131957344 /nfs/dbraw/zinc/95/73/44/1131957344.db2.gz WEUGEUPUAVLLDV-CQSZACIVSA-N 0 1 291.826 3.951 20 0 CHADMN [O-]c1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c(F)c1F ZINC001140889622 1131958551 /nfs/dbraw/zinc/95/85/51/1131958551.db2.gz IRSFIPZDPKCBES-CYBMUJFWSA-N 0 1 289.325 3.660 20 0 CHADMN [O-]c1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c(F)c1F ZINC001140889622 1131958558 /nfs/dbraw/zinc/95/85/58/1131958558.db2.gz IRSFIPZDPKCBES-CYBMUJFWSA-N 0 1 289.325 3.660 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccc(Cl)cc2)n[nH]1 ZINC001203075376 1131960171 /nfs/dbraw/zinc/96/01/71/1131960171.db2.gz GSOLGVIWYAGTOO-OAHLLOKOSA-N 0 1 275.783 3.709 20 0 CHADMN CCC[C@H](NC)c1nc(-c2ccc(Cl)c(C)c2)no1 ZINC001247625249 1131963244 /nfs/dbraw/zinc/96/32/44/1131963244.db2.gz MDGGSFJGTPCKBY-LBPRGKRZSA-N 0 1 279.771 3.759 20 0 CHADMN C=C/C=C\CCNCc1csc(C(C)(C)C)n1 ZINC000713505889 1131964603 /nfs/dbraw/zinc/96/46/03/1131964603.db2.gz ZVTRNAIUOMOXHB-SREVYHEPSA-N 0 1 250.411 3.663 20 0 CHADMN Clc1ccc(C2CCN(Cc3cnco3)CC2)cc1 ZINC001140928519 1131965279 /nfs/dbraw/zinc/96/52/79/1131965279.db2.gz OOFBRZCLWQRJLV-UHFFFAOYSA-N 0 1 276.767 3.708 20 0 CHADMN CSc1ccccc1[C@H]1CCCN1Cc1nccnc1C ZINC001140938331 1131967353 /nfs/dbraw/zinc/96/73/53/1131967353.db2.gz LCSMMAOSVACULT-MRXNPFEDSA-N 0 1 299.443 3.844 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cc(F)c([O-])c(F)c2)CCC1(F)F ZINC001140988376 1131979541 /nfs/dbraw/zinc/97/95/41/1131979541.db2.gz YKXSORCMLGMBMW-SECBINFHSA-N 0 1 291.288 3.538 20 0 CHADMN C[N@@H+](CCCc1ccccc1)Cc1cc(F)c([O-])c(F)c1 ZINC001140990139 1131980428 /nfs/dbraw/zinc/98/04/28/1131980428.db2.gz NAXBDZYZUHVKLM-UHFFFAOYSA-N 0 1 291.341 3.735 20 0 CHADMN Cc1ccncc1CN1CCC[C@H]1c1ccccc1F ZINC001141035228 1131990212 /nfs/dbraw/zinc/99/02/12/1131990212.db2.gz PXCOSAJDYHCLAR-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@H](Oc1nnc2c[nH]ccc1-2)c1csc(Cl)c1 ZINC001228989853 1131993297 /nfs/dbraw/zinc/99/32/97/1131993297.db2.gz LBRBZRHJKWQAAK-ZETCQYMHSA-N 0 1 279.752 3.813 20 0 CHADMN C[C@@H](Oc1nnc2c[nH]ccc1-2)c1cccc(Cl)c1 ZINC001228989324 1131993761 /nfs/dbraw/zinc/99/37/61/1131993761.db2.gz GLNIZBABANUZLH-SECBINFHSA-N 0 1 273.723 3.751 20 0 CHADMN c1cc2c3c(cccc3c1)[C@H](Oc1nnc3c[nH]ccc1-3)C2 ZINC001228995850 1131995482 /nfs/dbraw/zinc/99/54/82/1131995482.db2.gz GQMKMLUKGFODPO-MRXNPFEDSA-N 0 1 287.322 3.787 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccns1)c1ccc(F)cc1 ZINC000715968832 1131999817 /nfs/dbraw/zinc/99/98/17/1131999817.db2.gz WGCMBJHQDQHSBS-ZJUUUORDSA-N 0 1 250.342 3.694 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccns1)c1ccc2c(c1)CCO2 ZINC000716047955 1132002923 /nfs/dbraw/zinc/00/29/23/1132002923.db2.gz NVGNLEFKVANBKE-FZMZJTMJSA-N 0 1 288.416 3.880 20 0 CHADMN CCCCc1nc(CN2CCCc3ccccc3C2)c[nH]1 ZINC001141071725 1132003016 /nfs/dbraw/zinc/00/30/16/1132003016.db2.gz BKURQFRKFXIPGM-UHFFFAOYSA-N 0 1 283.419 3.701 20 0 CHADMN CCCCc1ncc(CN2CCC[C@H](C(F)(F)F)C2)[nH]1 ZINC001141070014 1132003716 /nfs/dbraw/zinc/00/37/16/1132003716.db2.gz LOUNLTUDDPRIMY-NSHDSACASA-N 0 1 289.345 3.527 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccns2)cc1OC ZINC000716055161 1132004012 /nfs/dbraw/zinc/00/40/12/1132004012.db2.gz OCUDDTWMBMOKGM-QWRGUYRKSA-N 0 1 292.404 3.572 20 0 CHADMN CCCCc1ncc(CN2Cc3ccc(Cl)cc3C2)[nH]1 ZINC001141071608 1132004251 /nfs/dbraw/zinc/00/42/51/1132004251.db2.gz WOJVHWJMYDIXAX-UHFFFAOYSA-N 0 1 289.810 3.922 20 0 CHADMN CC(C)CN(Cc1ncc(Cl)nc1Cl)CC(C)C ZINC001141131929 1132024559 /nfs/dbraw/zinc/02/45/59/1132024559.db2.gz PMQANKIHPZDKDL-UHFFFAOYSA-N 0 1 290.238 3.897 20 0 CHADMN CC[C@H](CSC)N(C)Cn1ccc(-c2cccs2)n1 ZINC000773257047 1132013613 /nfs/dbraw/zinc/01/36/13/1132013613.db2.gz WQCZJBGPKUKEKU-GFCCVEGCSA-N 0 1 295.477 3.643 20 0 CHADMN CN(Cc1cnn(C)c1)Cc1ccccc1-c1cccs1 ZINC001141093742 1132013896 /nfs/dbraw/zinc/01/38/96/1132013896.db2.gz LYGCGIQRHOVILJ-UHFFFAOYSA-N 0 1 297.427 3.781 20 0 CHADMN Cc1cc([C@H](C)NCc2[nH]nc(C)c2C)c(C)s1 ZINC000716470365 1132024928 /nfs/dbraw/zinc/02/49/28/1132024928.db2.gz XNPOGRRZVDSLEY-NSHDSACASA-N 0 1 263.410 3.556 20 0 CHADMN Cc1ccc(-c2ccccc2)c(Nc2nccnc2CN)c1 ZINC001171448238 1132026997 /nfs/dbraw/zinc/02/69/97/1132026997.db2.gz VZHRUQMEXMYAJO-UHFFFAOYSA-N 0 1 290.370 3.654 20 0 CHADMN COc1ccc2nccc(CN3CCC[C@](C)(F)C3)c2c1 ZINC001141146920 1132028445 /nfs/dbraw/zinc/02/84/45/1132028445.db2.gz LPWREHXRPLHXIC-KRWDZBQOSA-N 0 1 288.366 3.567 20 0 CHADMN CCN(CC)Cc1cc2ccc(OC)cc2nc1Cl ZINC000037495067 1132030917 /nfs/dbraw/zinc/03/09/17/1132030917.db2.gz XQPUJBPUSATBAP-UHFFFAOYSA-N 0 1 278.783 3.739 20 0 CHADMN FC(F)Oc1ccnc(NCC2(c3ccccc3)CC2)c1 ZINC001171464989 1132037119 /nfs/dbraw/zinc/03/71/19/1132037119.db2.gz GRQRWEOQRJDLLN-UHFFFAOYSA-N 0 1 290.313 3.827 20 0 CHADMN c1cnc(-c2ccc(CN3Cc4ccccc4C3)cc2)nc1 ZINC001141185589 1132037364 /nfs/dbraw/zinc/03/73/64/1132037364.db2.gz SWRYGOHQJGXOFN-UHFFFAOYSA-N 0 1 287.366 3.659 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2c2ccncc2)c(F)c1 ZINC001141195077 1132040425 /nfs/dbraw/zinc/04/04/25/1132040425.db2.gz ZNEUPXXBCASYOV-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CC(C)c1cccc(CN2CCOC[C@@H]2C2CCC2)c1 ZINC001171472045 1132041435 /nfs/dbraw/zinc/04/14/35/1132041435.db2.gz WSLFSCUVDQTRCY-GOSISDBHSA-N 0 1 273.420 3.811 20 0 CHADMN Cc1nc2cc(NCCOC3CCCCC3)ccc2[nH]1 ZINC001171477478 1132042670 /nfs/dbraw/zinc/04/26/70/1132042670.db2.gz LYAYCXVOPDJJND-UHFFFAOYSA-N 0 1 273.380 3.633 20 0 CHADMN COc1c(CN2CCC[C@@H]3C[C@@H]32)ccc(Cl)c1Cl ZINC001248646026 1132045631 /nfs/dbraw/zinc/04/56/31/1132045631.db2.gz KMSOOLMWSSVASA-SKDRFNHKSA-N 0 1 286.202 3.986 20 0 CHADMN CCc1ccccc1CN1CCc2cc3c(cc2C1)OCO3 ZINC001141224952 1132049033 /nfs/dbraw/zinc/04/90/33/1132049033.db2.gz SPVGHUQBDDMSDS-UHFFFAOYSA-N 0 1 295.382 3.536 20 0 CHADMN CCc1ccc(C)nc1NCc1cc(O)cc(Cl)c1 ZINC001203106113 1132049070 /nfs/dbraw/zinc/04/90/70/1132049070.db2.gz UXMAFJJQUILXCS-UHFFFAOYSA-N 0 1 276.767 3.924 20 0 CHADMN Cc1cccc2c1CC[C@@H](n1c3ccccc3nc1CN)C2 ZINC001171549059 1132052053 /nfs/dbraw/zinc/05/20/53/1132052053.db2.gz IVNISGALYDSUJR-OAHLLOKOSA-N 0 1 291.398 3.533 20 0 CHADMN Cc1cccc2c1CC[C@H](N[C@@H]1CCCC1(F)F)C2 ZINC001171556988 1132054067 /nfs/dbraw/zinc/05/40/67/1132054067.db2.gz PCOUPJUNDUTYFS-DZGCQCFKSA-N 0 1 265.347 3.630 20 0 CHADMN Cc1cccc2c1CN(Cc1cccc(-n3ccnc3)c1)C2 ZINC001141238795 1132057010 /nfs/dbraw/zinc/05/70/10/1132057010.db2.gz UTIVJCAHNQVKIY-UHFFFAOYSA-N 0 1 289.382 3.697 20 0 CHADMN CCCOc1ccc(-c2cncc3nc[nH]c32)c(F)c1 ZINC001206142442 1132065996 /nfs/dbraw/zinc/06/59/96/1132065996.db2.gz GIYSMFHLFADHQB-UHFFFAOYSA-N 0 1 271.295 3.553 20 0 CHADMN COc1cc(F)c(CN2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC001141272460 1132066343 /nfs/dbraw/zinc/06/63/43/1132066343.db2.gz OQXOOJFPDFVANQ-RYUDHWBXSA-N 0 1 281.371 3.606 20 0 CHADMN O=C(OC[C@H]1CCC(F)(F)C1)c1ccc(O)c(Cl)c1 ZINC000837333831 1132066680 /nfs/dbraw/zinc/06/66/80/1132066680.db2.gz YJAJTKGDQJETPC-QMMMGPOBSA-N 0 1 290.693 3.638 20 0 CHADMN Cc1ccc(CC[C@H](C)NCc2nccnc2Cl)cc1 ZINC001171655893 1132069539 /nfs/dbraw/zinc/06/95/39/1132069539.db2.gz PYEMNZFSBKSZFO-ZDUSSCGKSA-N 0 1 289.810 3.549 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(OC)c(OC)cc1F ZINC001141283674 1132071324 /nfs/dbraw/zinc/07/13/24/1132071324.db2.gz VNIQGZCIGSPHBH-ZDUSSCGKSA-N 0 1 281.371 3.607 20 0 CHADMN CC[C@H]1CN(CCOc2cccc3ccccc32)[C@H](C)CO1 ZINC001171705693 1132083955 /nfs/dbraw/zinc/08/39/55/1132083955.db2.gz DPYGLCRBKBTYEK-WBVHZDCISA-N 0 1 299.414 3.718 20 0 CHADMN Fc1cccc2c1C[C@@H](NCc1c(F)cccc1Cl)C2 ZINC001171772502 1132093450 /nfs/dbraw/zinc/09/34/50/1132093450.db2.gz CWILMOZXSSOAGV-NSHDSACASA-N 0 1 293.744 3.875 20 0 CHADMN CC[C@H]1COC(C)(C)CN1Cc1ccc(F)cc1C ZINC001171778912 1132097275 /nfs/dbraw/zinc/09/72/75/1132097275.db2.gz RLAKDMFAJXUCQJ-HNNXBMFYSA-N 0 1 265.372 3.524 20 0 CHADMN CN(Cc1cnc(Cl)s1)[C@H]1Cc2cccc(F)c2C1 ZINC001171795618 1132102557 /nfs/dbraw/zinc/10/25/57/1132102557.db2.gz ZWFXJXNHCURTNV-JTQLQIEISA-N 0 1 296.798 3.535 20 0 CHADMN CN(Cc1nc2ccccc2o1)[C@H]1Cc2cccc(F)c2C1 ZINC001171807003 1132103915 /nfs/dbraw/zinc/10/39/15/1132103915.db2.gz NEIMIKPOIVYBLC-ZDUSSCGKSA-N 0 1 296.345 3.566 20 0 CHADMN Fc1ccc([C@@H]2CCN2CCOCC2CCCC2)cc1 ZINC001171846825 1132107169 /nfs/dbraw/zinc/10/71/69/1132107169.db2.gz FRDCUEUWXQGIGW-KRWDZBQOSA-N 0 1 277.383 3.779 20 0 CHADMN CC1(C)CCN(Cc2nccn2CC(F)F)CC(C)(C)C1 ZINC001171881923 1132108153 /nfs/dbraw/zinc/10/81/53/1132108153.db2.gz ASYXWQNKNMUWBX-UHFFFAOYSA-N 0 1 299.409 3.796 20 0 CHADMN COc1ccc2nc(O[C@H](C)c3ccccc3F)[nH]c2c1 ZINC001229729509 1132111167 /nfs/dbraw/zinc/11/11/67/1132111167.db2.gz KNFBGUZRJCQCIB-SNVBAGLBSA-N 0 1 286.306 3.851 20 0 CHADMN COc1ccc2nc(O[C@@H]3CCc4ccc(C)cc43)[nH]c2c1 ZINC001229726139 1132111548 /nfs/dbraw/zinc/11/15/48/1132111548.db2.gz AVBVXVSTAGULGA-QGZVFWFLSA-N 0 1 294.354 3.946 20 0 CHADMN CC(C)C[C@@H](C)Oc1ccc(F)cc1CN(C)C ZINC001229853171 1132124445 /nfs/dbraw/zinc/12/44/45/1132124445.db2.gz DIJFXTWPADBCSS-GFCCVEGCSA-N 0 1 253.361 3.701 20 0 CHADMN C[C@H]1CCCC[C@@H]1Oc1ccc(F)cc1CN(C)C ZINC001229854319 1132125086 /nfs/dbraw/zinc/12/50/86/1132125086.db2.gz LMFNQTLYHCLTDZ-WFASDCNBSA-N 0 1 265.372 3.845 20 0 CHADMN CN(CC1CCCCC1)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC001141467758 1132136561 /nfs/dbraw/zinc/13/65/61/1132136561.db2.gz GRWIMTJRGBBMHK-UHFFFAOYSA-N 0 1 295.814 3.593 20 0 CHADMN Clc1cnc(CN[C@H]2CSc3ccccc3C2)s1 ZINC001172204828 1132141194 /nfs/dbraw/zinc/14/11/94/1132141194.db2.gz RVIJUTKTOIIKIN-SNVBAGLBSA-N 0 1 296.848 3.603 20 0 CHADMN C[C@H](c1cccs1)N(C)C[C@H]1CC1(Cl)Cl ZINC000838561993 1132141811 /nfs/dbraw/zinc/14/18/11/1132141811.db2.gz RKNDTYKKZUDEQM-RKDXNWHRSA-N 0 1 264.221 3.935 20 0 CHADMN C[C@H](Oc1nc[nH]c(=O)c1Cl)c1cccc(Cl)c1 ZINC001230018027 1132145667 /nfs/dbraw/zinc/14/56/67/1132145667.db2.gz LUUHBYQGEAKIFZ-ZETCQYMHSA-N 0 1 285.130 3.629 20 0 CHADMN Cc1ccc(CN2CC[C@H]2Cc2ccccc2)c(Cl)n1 ZINC000838868296 1132152334 /nfs/dbraw/zinc/15/23/34/1132152334.db2.gz KQZWADHRMAQRQQ-INIZCTEOSA-N 0 1 286.806 3.860 20 0 CHADMN Oc1ccc(C2=CCN(C[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000838927321 1132159768 /nfs/dbraw/zinc/15/97/68/1132159768.db2.gz YLGBDWMFAYTNIN-CYBMUJFWSA-N 0 1 298.213 3.675 20 0 CHADMN CC[C@H](C)OCC[C@H](C)N[C@H]1CCCCC1(F)F ZINC001172325826 1132160582 /nfs/dbraw/zinc/16/05/82/1132160582.db2.gz XRYILTLVBSJJKH-AVGNSLFASA-N 0 1 263.372 3.748 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@@H](c1cccnc1)C1CC1 ZINC001230224923 1132162140 /nfs/dbraw/zinc/16/21/40/1132162140.db2.gz CLCORCGZERSEIO-QGZVFWFLSA-N 0 1 279.343 3.796 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@H]1COCc2ccccc21 ZINC001230225387 1132162897 /nfs/dbraw/zinc/16/28/97/1132162897.db2.gz RWDYUWWCZPXKPD-KRWDZBQOSA-N 0 1 280.327 3.522 20 0 CHADMN CC(=O)c1ccc(Cl)cc1OC1CCN(C2CC2)CC1 ZINC001230296533 1132171147 /nfs/dbraw/zinc/17/11/47/1132171147.db2.gz UIQCGXZFOCFHIK-UHFFFAOYSA-N 0 1 293.794 3.548 20 0 CHADMN FC1(F)CCN(CCc2cccc(Cl)c2)CC1 ZINC000839067512 1132177701 /nfs/dbraw/zinc/17/77/01/1132177701.db2.gz VZZJORRQFJSJCM-UHFFFAOYSA-N 0 1 259.727 3.614 20 0 CHADMN CC[C@@H](C)OCC[C@@H](C)N(C)Cc1cccc(F)c1F ZINC001172348196 1132181676 /nfs/dbraw/zinc/18/16/76/1132181676.db2.gz PBGAVOFPTADANM-CHWSQXEVSA-N 0 1 285.378 3.990 20 0 CHADMN CC[C@H](CC(C)C)N1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001172404407 1132197020 /nfs/dbraw/zinc/19/70/20/1132197020.db2.gz WUIVCSASPMWSME-KGLIPLIRSA-N 0 1 284.444 3.710 20 0 CHADMN CC[C@@H](CC(C)C)N1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001172404408 1132197185 /nfs/dbraw/zinc/19/71/85/1132197185.db2.gz WUIVCSASPMWSME-UONOGXRCSA-N 0 1 284.444 3.710 20 0 CHADMN CCOc1ncc(Nc2ccc3[nH]c(C)nc3c2)cc1F ZINC001213071459 1132205483 /nfs/dbraw/zinc/20/54/83/1132205483.db2.gz SZHWDNQISNKQKF-UHFFFAOYSA-N 0 1 286.310 3.548 20 0 CHADMN CCCCCC[C@H](CCC)N1CCc2c(ncn2C)C1 ZINC001172383218 1132209796 /nfs/dbraw/zinc/20/97/96/1132209796.db2.gz LIRARUSIEAMPNM-HNNXBMFYSA-N 0 1 277.456 3.917 20 0 CHADMN CC1=C[C@@H](C)C[N@@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000839593838 1132225040 /nfs/dbraw/zinc/22/50/40/1132225040.db2.gz UJFMINFIOXJYGS-LLVKDONJSA-N 0 1 297.320 3.830 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000839593838 1132225044 /nfs/dbraw/zinc/22/50/44/1132225044.db2.gz UJFMINFIOXJYGS-LLVKDONJSA-N 0 1 297.320 3.830 20 0 CHADMN CC1(C)[C@@H]2C[C@@H](Oc3cc4[nH]ncc4c(F)c3)C[C@@H]21 ZINC001230930817 1132231275 /nfs/dbraw/zinc/23/12/75/1132231275.db2.gz HULCYWBKGKPQNR-VTYGSRLXSA-N 0 1 260.312 3.515 20 0 CHADMN CN(CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1)C1CCCC1 ZINC000839954370 1132241846 /nfs/dbraw/zinc/24/18/46/1132241846.db2.gz IBGZGUNOTRQLSS-KRWDZBQOSA-N 0 1 298.430 3.572 20 0 CHADMN CC(C)N(CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000839960532 1132242859 /nfs/dbraw/zinc/24/28/59/1132242859.db2.gz SVYRHFHLMNKZEN-KRWDZBQOSA-N 0 1 298.430 3.571 20 0 CHADMN Cc1nc([C@@H](C)Sc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000839973975 1132244109 /nfs/dbraw/zinc/24/41/09/1132244109.db2.gz MZGDAIANYRSOCL-SSDOTTSWSA-N 0 1 287.310 3.985 20 0 CHADMN Cc1ncccc1CN(C)Cc1coc2ccc(F)cc12 ZINC001141856678 1132257847 /nfs/dbraw/zinc/25/78/47/1132257847.db2.gz LOWRJOUZZWNYOV-UHFFFAOYSA-N 0 1 284.334 3.907 20 0 CHADMN CC(C)(CNC(=O)c1cc(F)cc(F)c1O)C1=CCCC1 ZINC001141877620 1132260494 /nfs/dbraw/zinc/26/04/94/1132260494.db2.gz XYWAFMAQQGMGQW-UHFFFAOYSA-N 0 1 295.329 3.537 20 0 CHADMN CN(Cc1ccon1)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172551946 1132263077 /nfs/dbraw/zinc/26/30/77/1132263077.db2.gz JPBOAHZPNLACMQ-WBVHZDCISA-N 0 1 270.376 3.833 20 0 CHADMN c1ccc([C@@H]2CCC[C@H](N3CCc4ncncc4C3)C2)cc1 ZINC001172550786 1132263867 /nfs/dbraw/zinc/26/38/67/1132263867.db2.gz BHIQLIVCWZONDT-AEFFLSMTSA-N 0 1 293.414 3.561 20 0 CHADMN Cc1nc[nH]c1-c1nc(-c2ccc(C(C)C)cc2)no1 ZINC001212668769 1132264978 /nfs/dbraw/zinc/26/49/78/1132264978.db2.gz OZLGYEJGKYDJDM-UHFFFAOYSA-N 0 1 268.320 3.559 20 0 CHADMN CC(C)CN(C)Cc1cc(F)c(Br)cc1F ZINC001141910302 1132267747 /nfs/dbraw/zinc/26/77/47/1132267747.db2.gz OKNGZIGIUJYGHB-UHFFFAOYSA-N 0 1 292.167 3.815 20 0 CHADMN CN(Cc1ncccn1)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172543253 1132277195 /nfs/dbraw/zinc/27/71/95/1132277195.db2.gz FPMKZSMZMQYJQA-SJORKVTESA-N 0 1 281.403 3.635 20 0 CHADMN CO[C@H]1CCN(Cc2sccc2Oc2ccccc2)C1 ZINC001141994538 1132289040 /nfs/dbraw/zinc/28/90/40/1132289040.db2.gz OTFAIIMWHZTRMH-AWEZNQCLSA-N 0 1 289.400 3.761 20 0 CHADMN Cc1n[nH]cc1-c1nc(-c2cccc(Cl)c2Cl)no1 ZINC001212677825 1132292025 /nfs/dbraw/zinc/29/20/25/1132292025.db2.gz RVPFJPKXDDOSFT-UHFFFAOYSA-N 0 1 295.129 3.742 20 0 CHADMN C[C@@H]1CN(Cc2ccc3cc(N(C)C)ccc3c2)C[C@H](C)O1 ZINC001231436443 1132294162 /nfs/dbraw/zinc/29/41/62/1132294162.db2.gz JSGHJSZCRWJLIL-GASCZTMLSA-N 0 1 298.430 3.515 20 0 CHADMN Cc1c(F)ccc(CN2CCC3(CC(F)C3)CC2)c1F ZINC001231474591 1132295841 /nfs/dbraw/zinc/29/58/41/1132295841.db2.gz DOWVASBCEZRUBM-UHFFFAOYSA-N 0 1 283.337 3.987 20 0 CHADMN Fc1cccc2c1CN([C@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172721808 1132295916 /nfs/dbraw/zinc/29/59/16/1132295916.db2.gz JLTBEFGSXSPQRT-HNNXBMFYSA-N 0 1 287.765 3.962 20 0 CHADMN C[N@H+](C/C=C/c1ccccc1)Cc1cc(C(=O)[O-])ccc1F ZINC001231461433 1132296194 /nfs/dbraw/zinc/29/61/94/1132296194.db2.gz VKWBFKSNCPYAPE-VMPITWQZSA-N 0 1 299.345 3.669 20 0 CHADMN C[N@@H+](C/C=C/c1ccccc1)Cc1cc(C(=O)[O-])ccc1F ZINC001231461433 1132296200 /nfs/dbraw/zinc/29/62/00/1132296200.db2.gz VKWBFKSNCPYAPE-VMPITWQZSA-N 0 1 299.345 3.669 20 0 CHADMN FC1(F)CC2(CN([C@@H]3Cc4ccc(Cl)cc4C3)C2)C1 ZINC001172719564 1132296202 /nfs/dbraw/zinc/29/62/02/1132296202.db2.gz QZLZRUJEQKRNGF-CYBMUJFWSA-N 0 1 283.749 3.538 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001231461804 1132297277 /nfs/dbraw/zinc/29/72/77/1132297277.db2.gz VDLUKNAJWALVHO-YEORSEQZSA-N 0 1 279.355 3.534 20 0 CHADMN CC1(C)CN([C@@H]2Cc3ccc(Cl)cc3C2)CC(C)(C)O1 ZINC001172724858 1132298763 /nfs/dbraw/zinc/29/87/63/1132298763.db2.gz PSRQYQKFQFLLRG-OAHLLOKOSA-N 0 1 293.838 3.697 20 0 CHADMN CCn1ccnc1NCc1ccc(SC(F)F)cc1 ZINC000840887917 1132303988 /nfs/dbraw/zinc/30/39/88/1132303988.db2.gz QOKXAZYUAYCKDI-UHFFFAOYSA-N 0 1 283.347 3.830 20 0 CHADMN Fc1ccc(Cl)cc1CNc1nccn1C1CC1 ZINC000840887097 1132304172 /nfs/dbraw/zinc/30/41/72/1132304172.db2.gz IDOIROBJSZKVAJ-UHFFFAOYSA-N 0 1 265.719 3.623 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3ccccc3)c2)[C@H](C)CO1 ZINC001231511733 1132310901 /nfs/dbraw/zinc/31/09/01/1132310901.db2.gz VRWHUVDYJRWIKC-HZPDHXFCSA-N 0 1 281.399 3.963 20 0 CHADMN C[C@H]1CN(Cc2ccc(O)c(C(F)(F)F)c2)C2(CC2)C1 ZINC001231527153 1132311924 /nfs/dbraw/zinc/31/19/24/1132311924.db2.gz YLMRSBVUFDBSIN-SNVBAGLBSA-N 0 1 285.309 3.785 20 0 CHADMN CC(C)Oc1ccc(CN2Cc3ccccc3C[C@@H]2C)cn1 ZINC001231538353 1132315891 /nfs/dbraw/zinc/31/58/91/1132315891.db2.gz ICVKGPXQBYPPTC-HNNXBMFYSA-N 0 1 296.414 3.816 20 0 CHADMN O=C([O-])[C@H]1CCC[N@H+]1[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000840996239 1132316666 /nfs/dbraw/zinc/31/66/66/1132316666.db2.gz HBLYSJHVDQNPPU-VHDGCEQUSA-N 0 1 293.794 3.525 20 0 CHADMN Cc1ccnc(CNC2CCC(Cc3ccccc3)CC2)n1 ZINC001172817201 1132316691 /nfs/dbraw/zinc/31/66/91/1132316691.db2.gz SLMNAHZUJMJRJS-UHFFFAOYSA-N 0 1 295.430 3.676 20 0 CHADMN O=C([O-])[C@H]1CCC[N@H+]1[C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000840995982 1132318366 /nfs/dbraw/zinc/31/83/66/1132318366.db2.gz BESBNVHJRSWWGS-YESZJQIVSA-N 0 1 287.403 3.652 20 0 CHADMN COc1cc(F)ccc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001231605223 1132325746 /nfs/dbraw/zinc/32/57/46/1132325746.db2.gz JKJXYGNKTPEQDK-SWLSCSKDSA-N 0 1 263.356 3.599 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)NCc1ncccc1F ZINC001172836408 1132328354 /nfs/dbraw/zinc/32/83/54/1132328354.db2.gz CTKAGKXILYBDOR-SNVBAGLBSA-N 0 1 296.748 3.734 20 0 CHADMN C[C@@H](Cc1c(F)cccc1Cl)NCc1ncccc1F ZINC001172836403 1132329072 /nfs/dbraw/zinc/32/90/72/1132329072.db2.gz CTKAGKXILYBDOR-JTQLQIEISA-N 0 1 296.748 3.734 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c(Cl)n1 ZINC001142125323 1132329556 /nfs/dbraw/zinc/32/95/56/1132329556.db2.gz PLBFARJYMZPKPI-OLZOCXBDSA-N 0 1 264.800 3.665 20 0 CHADMN Cc1sc2ccccc2c1CN1CC(C(F)F)C1 ZINC001231647924 1132333471 /nfs/dbraw/zinc/33/34/71/1132333471.db2.gz VYIUPWJABVWGOV-UHFFFAOYSA-N 0 1 267.344 3.907 20 0 CHADMN Cc1sc2ccccc2c1CN(C)Cc1cncnc1 ZINC001231647678 1132333652 /nfs/dbraw/zinc/33/36/52/1132333652.db2.gz OSSYHDUJMKEHJV-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN Cc1sc2ccccc2c1CN1CCOCC12CCC2 ZINC001231650221 1132336143 /nfs/dbraw/zinc/33/61/43/1132336143.db2.gz ZMDZUXZSPYYDGM-UHFFFAOYSA-N 0 1 287.428 3.965 20 0 CHADMN Cc1ccc2c(c1)C[C@H](N[C@@H]1CCCC1(F)F)CC2 ZINC001172844664 1132336337 /nfs/dbraw/zinc/33/63/37/1132336337.db2.gz YAKCSZIOTOAXQD-HUUCEWRRSA-N 0 1 265.347 3.630 20 0 CHADMN CC[C@H]1COCCN1Cc1c(C)sc2ccccc21 ZINC001231649505 1132336941 /nfs/dbraw/zinc/33/69/41/1132336941.db2.gz OYGPRQKJEKXUNY-ZDUSSCGKSA-N 0 1 275.417 3.821 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1[nH]cnc1C(C)(C)C ZINC001142209278 1132341958 /nfs/dbraw/zinc/34/19/58/1132341958.db2.gz LILDYEJOQWMUJH-CYBMUJFWSA-N 0 1 283.419 3.827 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1[nH]cnc1C(C)(C)C ZINC001142209280 1132342174 /nfs/dbraw/zinc/34/21/74/1132342174.db2.gz LILDYEJOQWMUJH-ZDUSSCGKSA-N 0 1 283.419 3.827 20 0 CHADMN C[C@@H](Cc1ccc(F)cc1Cl)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001172863237 1132347980 /nfs/dbraw/zinc/34/79/80/1132347980.db2.gz HJZXEQNKEKZLKT-LEWSCRJBSA-N 0 1 295.785 3.606 20 0 CHADMN COc1cc(Cl)c(CN2C[C@H](C)C[C@@H](C)C2)c(OC)c1 ZINC001231699587 1132348159 /nfs/dbraw/zinc/34/81/59/1132348159.db2.gz PFMXHCRTALRCMZ-VXGBXAGGSA-N 0 1 297.826 3.835 20 0 CHADMN C[C@@H](Cc1c(F)cccc1Cl)N(C)Cc1cncs1 ZINC001172863578 1132348786 /nfs/dbraw/zinc/34/87/86/1132348786.db2.gz XMZGIMLBLZRYOD-JTQLQIEISA-N 0 1 298.814 3.999 20 0 CHADMN C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(Cl)c([O-])c1 ZINC001231733094 1132351259 /nfs/dbraw/zinc/35/12/59/1132351259.db2.gz MLEFKKKDPGRRQM-GHMZBOCLSA-N 0 1 253.773 3.809 20 0 CHADMN C[N@@H+](CCc1cccc(F)c1)Cc1ccc(Cl)c(O)c1 ZINC001231735095 1132351506 /nfs/dbraw/zinc/35/15/06/1132351506.db2.gz JGGLZMILBANRIU-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN C[N@H+](CCc1cccc(F)c1)Cc1ccc(Cl)c([O-])c1 ZINC001231735095 1132351514 /nfs/dbraw/zinc/35/15/14/1132351514.db2.gz JGGLZMILBANRIU-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN C[N@@H+](CCc1cccc(F)c1)Cc1ccc(Cl)c([O-])c1 ZINC001231735095 1132351523 /nfs/dbraw/zinc/35/15/23/1132351523.db2.gz JGGLZMILBANRIU-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN CC(C)O[C@@H]1CC[N@H+]([C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172871340 1132352403 /nfs/dbraw/zinc/35/24/03/1132352403.db2.gz NYWVUNWEBKORLV-IUODEOHRSA-N 0 1 299.817 3.909 20 0 CHADMN CCOc1ncccc1CN1CCC(c2ccccc2)CC1 ZINC001231761707 1132353090 /nfs/dbraw/zinc/35/30/90/1132353090.db2.gz DHLCDLUVPSXUHX-UHFFFAOYSA-N 0 1 296.414 3.860 20 0 CHADMN CC(C)Oc1ncccc1CN(C)CCc1ccccc1 ZINC001231755140 1132353614 /nfs/dbraw/zinc/35/36/14/1132353614.db2.gz QAHILBZDTAYKNQ-UHFFFAOYSA-N 0 1 284.403 3.543 20 0 CHADMN CC(C)Oc1ncccc1CN1CC[C@H](C)C(F)(F)CC1 ZINC001231754710 1132354390 /nfs/dbraw/zinc/35/43/90/1132354390.db2.gz IAUPTNCNNMHXKD-ZDUSSCGKSA-N 0 1 298.377 3.736 20 0 CHADMN Cc1nn(-c2ccc(C)cc2)c(Cl)c1CN1CCCC1 ZINC001231772447 1132356310 /nfs/dbraw/zinc/35/63/10/1132356310.db2.gz MSTPDGQADQWHDI-UHFFFAOYSA-N 0 1 289.810 3.738 20 0 CHADMN C[C@@H](CSc1ccc(Cl)cc1)N1C[C@H](C)O[C@@H](C)C1 ZINC001172881675 1132359383 /nfs/dbraw/zinc/35/93/83/1132359383.db2.gz KIZSUYSLEYMTEO-AVGNSLFASA-N 0 1 299.867 3.930 20 0 CHADMN CC(C)Cc1ccc(CN2CCC(=O)[C@H](C)CC2)cc1 ZINC001231787397 1132362185 /nfs/dbraw/zinc/36/21/85/1132362185.db2.gz YZUXLTSVUJMBKQ-OAHLLOKOSA-N 0 1 273.420 3.686 20 0 CHADMN CC(C)Cc1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1 ZINC001231786426 1132364239 /nfs/dbraw/zinc/36/42/39/1132364239.db2.gz BIPDOUBFDDTWKB-ULQDDVLXSA-N 0 1 261.384 3.675 20 0 CHADMN C[C@@]1(Cc2nc(=O)c3sccc3[nH]2)CC1(Cl)Cl ZINC000841497509 1132368971 /nfs/dbraw/zinc/36/89/71/1132368971.db2.gz ICOHQQXTIQPRBU-SNVBAGLBSA-N 0 1 289.187 3.523 20 0 CHADMN Cc1ccc2ccccc2c1CN1CCC(=O)C[C@H]1C ZINC001142372286 1132377993 /nfs/dbraw/zinc/37/79/93/1132377993.db2.gz YKTYPVXZOZUCDO-CQSZACIVSA-N 0 1 267.372 3.702 20 0 CHADMN CCCOc1ncccc1CN1CC[C@H](C)C(F)(F)CC1 ZINC001231858863 1132381945 /nfs/dbraw/zinc/38/19/45/1132381945.db2.gz PDSWLBMIDQGSNZ-ZDUSSCGKSA-N 0 1 298.377 3.738 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1ccccc1C(C)C ZINC001231877524 1132388469 /nfs/dbraw/zinc/38/84/69/1132388469.db2.gz IOWVVEBALRKQQY-KRWDZBQOSA-N 0 1 259.393 3.754 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1ccnc(C(F)F)c1 ZINC001231890353 1132393473 /nfs/dbraw/zinc/39/34/73/1132393473.db2.gz YYAKJGBVZGFGAD-WDEREUQCSA-N 0 1 254.324 3.640 20 0 CHADMN CSc1ncc(CN(C)[C@H]2CC[C@H](C)CC2)c(Cl)n1 ZINC001142441077 1132394625 /nfs/dbraw/zinc/39/46/25/1132394625.db2.gz RGQCOJOGRBRERH-UMSPYCQHSA-N 0 1 299.871 3.862 20 0 CHADMN C[C@@H](N[C@@H]1COCc2ccccc21)c1ccc2c(c1)CCO2 ZINC000841762630 1132396213 /nfs/dbraw/zinc/39/62/13/1132396213.db2.gz ZBRGHGYCNQXCFM-FZKQIMNGSA-N 0 1 295.382 3.544 20 0 CHADMN COc1cccc2c(CN3CCCC[C@H](F)C3)c[nH]c21 ZINC001231895490 1132397254 /nfs/dbraw/zinc/39/72/54/1132397254.db2.gz OZPIHDWXAPKKDD-ZDUSSCGKSA-N 0 1 276.355 3.501 20 0 CHADMN CCn1cncc1CN1CC=C(c2ccc(C)cc2)CC1 ZINC000841828803 1132397863 /nfs/dbraw/zinc/39/78/63/1132397863.db2.gz LUBZWDCJUAPNOQ-UHFFFAOYSA-N 0 1 281.403 3.501 20 0 CHADMN FC(F)(F)c1cnc(Cl)cc1CN1CCC[C@@H]2C[C@@H]21 ZINC001231933385 1132401090 /nfs/dbraw/zinc/40/10/90/1132401090.db2.gz QXQWTQXBJQOPMY-KCJUWKMLSA-N 0 1 290.716 3.738 20 0 CHADMN CCC(CC)N(C)Cc1nc(Br)ccc1F ZINC001231944097 1132401058 /nfs/dbraw/zinc/40/10/58/1132401058.db2.gz HUXSAIHIXHQCBT-UHFFFAOYSA-N 0 1 289.192 3.604 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cnc(F)c(C)c1 ZINC001231926329 1132401168 /nfs/dbraw/zinc/40/11/68/1132401168.db2.gz TWMAWPWDNHOUDQ-UHFFFAOYSA-N 0 1 276.330 3.690 20 0 CHADMN Clc1cccnc1CN1CCC2(CCCC2)C1 ZINC001231958964 1132404209 /nfs/dbraw/zinc/40/42/09/1132404209.db2.gz GTYKBPXDJGFHLR-UHFFFAOYSA-N 0 1 250.773 3.501 20 0 CHADMN Cc1cc(CN2CCSc3ccccc3C2)cc(C)n1 ZINC001232003287 1132408887 /nfs/dbraw/zinc/40/88/87/1132408887.db2.gz MOOYEEPNRMCMAT-UHFFFAOYSA-N 0 1 284.428 3.806 20 0 CHADMN CCCCN(CC)Cc1ccnc(Br)c1F ZINC001232029690 1132412196 /nfs/dbraw/zinc/41/21/96/1132412196.db2.gz VFDRVDSCOQZAAH-UHFFFAOYSA-N 0 1 289.192 3.605 20 0 CHADMN O=C([O-])c1cc(Cl)ccc1C[N@H+]1CCC12CCCCC2 ZINC001142646912 1132416534 /nfs/dbraw/zinc/41/65/34/1132416534.db2.gz IXUBRVRYWSOMRH-UHFFFAOYSA-N 0 1 293.794 3.947 20 0 CHADMN CCCN(Cc1c(Cl)n(C)nc1C(F)F)CC(C)C ZINC001232057785 1132417122 /nfs/dbraw/zinc/41/71/22/1132417122.db2.gz RLAWHCIAMKWLLR-UHFFFAOYSA-N 0 1 293.789 3.879 20 0 CHADMN C[N@@H+](Cc1cccs1)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142656829 1132418056 /nfs/dbraw/zinc/41/80/56/1132418056.db2.gz KFSPIJRHHRHCNT-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN C[C@H]1CCCCN(Cc2cccc(C(F)(F)F)n2)C1 ZINC001232070142 1132419195 /nfs/dbraw/zinc/41/91/95/1132419195.db2.gz XZMBQZYKKLEWIZ-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1ccc(C)nc1C ZINC001232085100 1132420459 /nfs/dbraw/zinc/42/04/59/1132420459.db2.gz GAOMGGWFZSWNKO-OAHLLOKOSA-N 0 1 284.403 3.900 20 0 CHADMN CCCN(Cc1c(Cl)nccc1OC)[C@H](C)CC ZINC001232150749 1132427328 /nfs/dbraw/zinc/42/73/28/1132427328.db2.gz BNIFYXGHLGPVOJ-LLVKDONJSA-N 0 1 270.804 3.754 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ncccc2Br)C[C@@H]1C ZINC001232161961 1132429915 /nfs/dbraw/zinc/42/99/15/1132429915.db2.gz PIIVMCGLTYFBSZ-NEPJUHHUSA-N 0 1 297.240 3.712 20 0 CHADMN C[C@@H]1CCCN(Cc2ncccc2Br)C[C@@H]1C ZINC001232161961 1132429918 /nfs/dbraw/zinc/42/99/18/1132429918.db2.gz PIIVMCGLTYFBSZ-NEPJUHHUSA-N 0 1 297.240 3.712 20 0 CHADMN COc1ccnc(Cl)c1CN1CC[C@H]2CCCC[C@@H]2C1 ZINC001232159192 1132430072 /nfs/dbraw/zinc/43/00/72/1132430072.db2.gz FYIYTLOJXHWGCP-CHWSQXEVSA-N 0 1 294.826 3.756 20 0 CHADMN C[C@@H]1CCCN(Cc2nc(Cl)ccc2F)C[C@H]1C ZINC001232156181 1132430385 /nfs/dbraw/zinc/43/03/85/1132430385.db2.gz YAJBWINPTLDPPS-GHMZBOCLSA-N 0 1 270.779 3.742 20 0 CHADMN Fc1ccccc1CC1CCN(Cc2ccns2)CC1 ZINC001232191713 1132433863 /nfs/dbraw/zinc/43/38/63/1132433863.db2.gz AGFHRNXMMDGADK-UHFFFAOYSA-N 0 1 290.407 3.737 20 0 CHADMN Clc1ccc([C@H]2CC[N@@H+](Cc3ccns3)C2)cc1 ZINC001232191902 1132434458 /nfs/dbraw/zinc/43/44/58/1132434458.db2.gz MYXPNMHCUGBGRN-LBPRGKRZSA-N 0 1 278.808 3.786 20 0 CHADMN Fc1cccc2c(CN3CCCC[C@H](F)C3)ccnc12 ZINC001232210560 1132434724 /nfs/dbraw/zinc/43/47/24/1132434724.db2.gz PXWHTCWKEOAZQF-ZDUSSCGKSA-N 0 1 276.330 3.698 20 0 CHADMN Cc1scnc1CN1CCC2(CC[C@H](F)C2)CC1 ZINC001232211639 1132436939 /nfs/dbraw/zinc/43/69/39/1132436939.db2.gz ILTIPCLRAWNMRK-LBPRGKRZSA-N 0 1 268.401 3.556 20 0 CHADMN Cc1ccc(CN(C)Cc2ccnc3c(F)cccc23)cn1 ZINC001232214609 1132437033 /nfs/dbraw/zinc/43/70/33/1132437033.db2.gz VUMNGCKINHEKMZ-UHFFFAOYSA-N 0 1 295.361 3.709 20 0 CHADMN c1nscc1CN1CCC(CCc2ccccc2)CC1 ZINC001232226220 1132438962 /nfs/dbraw/zinc/43/89/62/1132438962.db2.gz AZPUCZJWJRFRMD-UHFFFAOYSA-N 0 1 286.444 3.988 20 0 CHADMN CCOc1ncc(CN2CC[C@@H](C)C(F)(F)CC2)cc1C ZINC001232302849 1132450911 /nfs/dbraw/zinc/45/09/11/1132450911.db2.gz NCCNEDZKHLWVHA-CYBMUJFWSA-N 0 1 298.377 3.656 20 0 CHADMN CCOc1ncc(CN2C3CCCC2CCC3)cc1C ZINC001232306513 1132451160 /nfs/dbraw/zinc/45/11/60/1132451160.db2.gz AFLWBLBFTHVTCJ-UHFFFAOYSA-N 0 1 274.408 3.696 20 0 CHADMN Cc1cc(Br)ncc1CN1CCCC1(C)C ZINC001232315850 1132452484 /nfs/dbraw/zinc/45/24/84/1132452484.db2.gz MWKKTVIXLVBNJR-UHFFFAOYSA-N 0 1 283.213 3.527 20 0 CHADMN CC[C@@H]1CC[C@H](N2CCc3c([nH]nc3C(F)(F)F)C2)C1 ZINC001173283497 1132455348 /nfs/dbraw/zinc/45/53/48/1132455348.db2.gz MBISTCQNKSOBIZ-NRUUGDAUSA-N 0 1 287.329 3.922 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1ccc(SC)nc1 ZINC001232333719 1132455869 /nfs/dbraw/zinc/45/58/69/1132455869.db2.gz ZFDHKGAHJGIHGH-UHFFFAOYSA-N 0 1 290.407 3.965 20 0 CHADMN Cc1nc(F)ccc1CNC1(c2cccc(F)c2)CCC1 ZINC000842744476 1132456909 /nfs/dbraw/zinc/45/69/09/1132456909.db2.gz WXJRXPGYEYBADX-UHFFFAOYSA-N 0 1 288.341 3.837 20 0 CHADMN COc1cc(C)c(CN2CCc3ccccc3[C@@H]2C)cn1 ZINC001232348203 1132457892 /nfs/dbraw/zinc/45/78/92/1132457892.db2.gz BGOJDUCBEZGGPY-AWEZNQCLSA-N 0 1 282.387 3.518 20 0 CHADMN COc1cc(C)c(CN2CCc3ccccc3[C@H]2C)cn1 ZINC001232348204 1132457994 /nfs/dbraw/zinc/45/79/94/1132457994.db2.gz BGOJDUCBEZGGPY-CQSZACIVSA-N 0 1 282.387 3.518 20 0 CHADMN COc1cc(CN2CCC[C@H](C)CC2)c(OC)cc1Cl ZINC001232369965 1132459940 /nfs/dbraw/zinc/45/99/40/1132459940.db2.gz HTXFSLHMHCYYPA-LBPRGKRZSA-N 0 1 297.826 3.979 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cnc(OC)cc1C ZINC001232353182 1132459969 /nfs/dbraw/zinc/45/99/69/1132459969.db2.gz IPBXMHNRENOAEF-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN Cc1cccc(C[N@H+]2C[C@@H](C)C[C@H]2CF)c1OC(C)C ZINC001232390292 1132463976 /nfs/dbraw/zinc/46/39/76/1132463976.db2.gz RBHKCPBCPJHVGB-BBRMVZONSA-N 0 1 279.399 3.962 20 0 CHADMN Cc1cccc(CN2C[C@@H](C)C[C@H]2CF)c1OC(C)C ZINC001232390292 1132463979 /nfs/dbraw/zinc/46/39/79/1132463979.db2.gz RBHKCPBCPJHVGB-BBRMVZONSA-N 0 1 279.399 3.962 20 0 CHADMN COCCN(C)Cc1cccc(C)c1OCc1ccccc1 ZINC001232398988 1132465647 /nfs/dbraw/zinc/46/56/47/1132465647.db2.gz HQJIWAGLNIVQBH-UHFFFAOYSA-N 0 1 299.414 3.652 20 0 CHADMN Cc1coc(CN[C@@H]2CCCC3(CCCCC3)C2)n1 ZINC001173337708 1132465797 /nfs/dbraw/zinc/46/57/97/1132465797.db2.gz ACMPDWYWQYWVGZ-CQSZACIVSA-N 0 1 262.397 3.966 20 0 CHADMN Cc1c(F)cc(C[N@@H+](C)Cc2ccccc2)cc1F ZINC001232421210 1132467100 /nfs/dbraw/zinc/46/71/00/1132467100.db2.gz ZYZSTPMFPQLWOA-UHFFFAOYSA-N 0 1 261.315 3.905 20 0 CHADMN Cc1c(F)cc(CN(C)Cc2ccccc2)cc1F ZINC001232421210 1132467104 /nfs/dbraw/zinc/46/71/04/1132467104.db2.gz ZYZSTPMFPQLWOA-UHFFFAOYSA-N 0 1 261.315 3.905 20 0 CHADMN Cc1c(F)cc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)cc1F ZINC001232421477 1132467249 /nfs/dbraw/zinc/46/72/49/1132467249.db2.gz JIFJIWUFDBIIHP-NEPJUHHUSA-N 0 1 287.300 3.750 20 0 CHADMN Cc1c(F)cc(CN2C[C@H]3[C@H](CCC3(F)F)C2)cc1F ZINC001232421477 1132467252 /nfs/dbraw/zinc/46/72/52/1132467252.db2.gz JIFJIWUFDBIIHP-NEPJUHHUSA-N 0 1 287.300 3.750 20 0 CHADMN Cc1c(F)cc(C[N@H+]2CCC[C@@](C)(F)CC2)cc1F ZINC001232419912 1132468080 /nfs/dbraw/zinc/46/80/80/1132468080.db2.gz LQWKAAALNSPQLM-OAHLLOKOSA-N 0 1 271.326 3.987 20 0 CHADMN NCc1ncccc1N[C@@H]1CCCC2(CCCCC2)C1 ZINC001173342139 1132468638 /nfs/dbraw/zinc/46/86/38/1132468638.db2.gz VLJYWTXKEZBQPW-CQSZACIVSA-N 0 1 273.424 3.845 20 0 CHADMN CSC1CCN(Cc2cc(F)c(C)c(F)c2)CC1 ZINC001232422821 1132469724 /nfs/dbraw/zinc/46/97/24/1132469724.db2.gz IRICRZUXTHQGPK-UHFFFAOYSA-N 0 1 271.376 3.601 20 0 CHADMN Cc1c(F)cc(CN(C)CCOc2ccccc2)cc1F ZINC001232423341 1132470065 /nfs/dbraw/zinc/47/00/65/1132470065.db2.gz MTNOHPNTMYEMPP-UHFFFAOYSA-N 0 1 291.341 3.784 20 0 CHADMN C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c([O-])c1Cl ZINC001232624449 1132496817 /nfs/dbraw/zinc/49/68/17/1132496817.db2.gz PMUIEJYILOFXJP-QMMMGPOBSA-N 0 1 260.164 3.683 20 0 CHADMN C[C@H]1CCC[N@H+]1Cc1ccc(Cl)c([O-])c1Cl ZINC001232624449 1132496822 /nfs/dbraw/zinc/49/68/22/1132496822.db2.gz PMUIEJYILOFXJP-QMMMGPOBSA-N 0 1 260.164 3.683 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2ccc(C(F)(F)F)o2)C1 ZINC001232445608 1132471613 /nfs/dbraw/zinc/47/16/13/1132471613.db2.gz SLCDPHMHCXPYGL-NXEZZACHSA-N 0 1 261.287 3.776 20 0 CHADMN Cc1cnc(CN)n1[C@@H]1CCCC2(CCCCC2)C1 ZINC001173348333 1132472982 /nfs/dbraw/zinc/47/29/82/1132472982.db2.gz JRYQFISYSFNWJS-CQSZACIVSA-N 0 1 261.413 3.716 20 0 CHADMN Cc1ccc(F)cc1CNCc1cccc(F)c1F ZINC000083481100 1132473223 /nfs/dbraw/zinc/47/32/23/1132473223.db2.gz NMSPUGJCCDNNKR-UHFFFAOYSA-N 0 1 265.278 3.702 20 0 CHADMN Fc1ccnc(CN2CCC[C@H]2c2ccccc2)c1 ZINC001232493899 1132480065 /nfs/dbraw/zinc/48/00/65/1132480065.db2.gz HBZDUZDZEMWFIQ-INIZCTEOSA-N 0 1 256.324 3.558 20 0 CHADMN CCN(Cc1ccc(C)c(C)c1)Cc1cc(F)ccn1 ZINC001232497369 1132481569 /nfs/dbraw/zinc/48/15/69/1132481569.db2.gz DSFIYVDKVAWJPP-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN C[C@H]1CN(Cc2cc(F)ccc2N)Cc2ccccc21 ZINC001232506305 1132482427 /nfs/dbraw/zinc/48/24/27/1132482427.db2.gz DTVLYZDDNLKNCG-LBPRGKRZSA-N 0 1 270.351 3.527 20 0 CHADMN COc1cc(C)c(CN2CCOc3ccccc3C2)c(C)c1 ZINC001142935405 1132484232 /nfs/dbraw/zinc/48/42/32/1132484232.db2.gz ZORKVAQLSWYBPC-UHFFFAOYSA-N 0 1 297.398 3.707 20 0 CHADMN COc1cc(C)c(CN(C)Cc2ccccc2OC)c(C)c1 ZINC001142935243 1132484508 /nfs/dbraw/zinc/48/45/08/1132484508.db2.gz VJSHIRPHZKOALJ-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN FCc1cccc(CN(Cc2ccccc2)C2CC2)n1 ZINC001232539332 1132485619 /nfs/dbraw/zinc/48/56/19/1132485619.db2.gz MCAIBVGNICIVON-UHFFFAOYSA-N 0 1 270.351 3.716 20 0 CHADMN c1cc2cc(CN3CCC(c4cccnc4)CC3)ncc2o1 ZINC001232557374 1132487902 /nfs/dbraw/zinc/48/79/02/1132487902.db2.gz UYCKYBCGRUDQHC-UHFFFAOYSA-N 0 1 293.370 3.602 20 0 CHADMN Clc1ccc(-c2nccnc2CN2CC3(CCC3)C2)cc1 ZINC001142967259 1132487970 /nfs/dbraw/zinc/48/79/70/1132487970.db2.gz RHFNITWKMULEAE-UHFFFAOYSA-N 0 1 299.805 3.783 20 0 CHADMN CC1(C)CN(Cc2ccccc2F)CCC1(F)F ZINC001203346810 1132488293 /nfs/dbraw/zinc/48/82/93/1132488293.db2.gz VYYWANJEUIUVNG-UHFFFAOYSA-N 0 1 257.299 3.693 20 0 CHADMN CCCN(CC)Cc1ccc(C(F)(F)F)nc1Cl ZINC001232790564 1132521767 /nfs/dbraw/zinc/52/17/67/1132521767.db2.gz SZVFMYRQTYOVCJ-UHFFFAOYSA-N 0 1 280.721 3.986 20 0 CHADMN CC[C@H](CC1CCCC1)c1nc([C@H](N)C(C)C)no1 ZINC000843150359 1132497710 /nfs/dbraw/zinc/49/77/10/1132497710.db2.gz AFKOPLWIARHMMP-CHWSQXEVSA-N 0 1 265.401 3.799 20 0 CHADMN CCc1ccc2occ(-c3nc([C@@H](N)C(C)C)no3)c2c1 ZINC000843155662 1132497862 /nfs/dbraw/zinc/49/78/62/1132497862.db2.gz WYSRAHJOWYOUIO-AWEZNQCLSA-N 0 1 285.347 3.701 20 0 CHADMN C/C(=C\c1nc([C@H](N)C(C)C)no1)c1ccccc1Cl ZINC000843149040 1132498284 /nfs/dbraw/zinc/49/82/84/1132498284.db2.gz IEZKFHHOFAOVSS-QSYFUGGGSA-N 0 1 291.782 3.939 20 0 CHADMN Cc1cc(C)c(/C=C/c2nc([C@@H](N)C(C)C)no2)cc1C ZINC000843147896 1132498481 /nfs/dbraw/zinc/49/84/81/1132498481.db2.gz ISYPECGBRSZDJV-MOEXGYKKSA-N 0 1 285.391 3.821 20 0 CHADMN Cc1ccc(C2(c3nc([C@@H](N)C(C)C)no3)CCC2)cc1 ZINC000843150949 1132498496 /nfs/dbraw/zinc/49/84/96/1132498496.db2.gz CNCFRMQVXAAONO-AWEZNQCLSA-N 0 1 285.391 3.504 20 0 CHADMN Cc1ccc(C)c(SCc2nc([C@@H](N)C(C)C)no2)c1 ZINC000843146314 1132498666 /nfs/dbraw/zinc/49/86/66/1132498666.db2.gz GCPLFFMTYRIJSP-AWEZNQCLSA-N 0 1 291.420 3.635 20 0 CHADMN C[C@]1(F)CCN(Cc2cccc3c2CCCC3)C[C@@H]1F ZINC001232634797 1132499257 /nfs/dbraw/zinc/49/92/57/1132499257.db2.gz WKVVYEYVPZZDQL-IRXDYDNUSA-N 0 1 279.374 3.837 20 0 CHADMN CCCN[C@H](C)c1nc(-c2ccccc2C(F)(F)F)no1 ZINC000843175242 1132500145 /nfs/dbraw/zinc/50/01/45/1132500145.db2.gz SVZJZGCJHGMTMM-SECBINFHSA-N 0 1 299.296 3.816 20 0 CHADMN CCS[C@@H](C)c1noc([C@@H](CC(C)(C)C)NC)n1 ZINC000843191027 1132502310 /nfs/dbraw/zinc/50/23/10/1132502310.db2.gz AIPPLUZYEOBDTF-VHSXEESVSA-N 0 1 271.430 3.580 20 0 CHADMN c1cc2c(cn1)cncc2CN1C2CCCC1CCC2 ZINC001232654550 1132503268 /nfs/dbraw/zinc/50/32/68/1132503268.db2.gz SXRNFHVMNQHFJA-UHFFFAOYSA-N 0 1 267.376 3.537 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2cccc(Cl)c2F)no1 ZINC000843208866 1132504024 /nfs/dbraw/zinc/50/40/24/1132504024.db2.gz HEHORHMZBKQXGR-QMMMGPOBSA-N 0 1 283.734 3.590 20 0 CHADMN CCN(Cc1ccc(Br)[nH]1)Cc1ccccc1 ZINC001232687385 1132506324 /nfs/dbraw/zinc/50/63/24/1132506324.db2.gz FNMSQRDOAHXUPF-UHFFFAOYSA-N 0 1 293.208 3.799 20 0 CHADMN CC(C)N(CCCO)Cc1cc(F)c(Cl)cc1Cl ZINC001232701367 1132507661 /nfs/dbraw/zinc/50/76/61/1132507661.db2.gz XAKBIKFXKQBWOE-UHFFFAOYSA-N 0 1 294.197 3.725 20 0 CHADMN CC(=O)[C@@H]1CCCN(Cc2cc3ccc(Cl)cc3[nH]2)C1 ZINC001232732374 1132509804 /nfs/dbraw/zinc/50/98/04/1132509804.db2.gz QWEOOGMISVDCAQ-CYBMUJFWSA-N 0 1 290.794 3.622 20 0 CHADMN Cc1cc(CN2CC[C@H](C)C[C@H]2C)c(F)cc1F ZINC001232782672 1132519834 /nfs/dbraw/zinc/51/98/34/1132519834.db2.gz OCPFWHWNQUJXOC-CMPLNLGQSA-N 0 1 253.336 3.894 20 0 CHADMN CCCn1cnc(CN(C)CCc2ccc(Cl)cc2)c1 ZINC001232804282 1132522807 /nfs/dbraw/zinc/52/28/07/1132522807.db2.gz WRDPROXIKXNNIO-UHFFFAOYSA-N 0 1 291.826 3.621 20 0 CHADMN CCc1ccc(CN(C)Cc2cc(O)cc(OC)c2)cc1 ZINC001232805255 1132523225 /nfs/dbraw/zinc/52/32/25/1132523225.db2.gz ZBVYRUMRLUIDRW-UHFFFAOYSA-N 0 1 285.387 3.595 20 0 CHADMN CC[C@@H]1CCC[C@H](CN2CCc3cc(Cl)nnc3C2)C1 ZINC000843417867 1132530864 /nfs/dbraw/zinc/53/08/64/1132530864.db2.gz DNOUTMUDOZWFDK-OLZOCXBDSA-N 0 1 293.842 3.705 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Br)co2)[C@@H]1C ZINC001232854944 1132531205 /nfs/dbraw/zinc/53/12/05/1132531205.db2.gz SABPSBLVSLHPDD-NXEZZACHSA-N 0 1 272.186 3.663 20 0 CHADMN Cc1cc(O)cc(CN(C)Cc2ccc(Cl)cc2)c1 ZINC001232884733 1132534950 /nfs/dbraw/zinc/53/49/50/1132534950.db2.gz STZBQOZWLCVPPT-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN COc1c(F)ccc(CN2CCC23CCCCC3)c1F ZINC001143320095 1132536057 /nfs/dbraw/zinc/53/60/57/1132536057.db2.gz CZLOMPZEKJPNFM-UHFFFAOYSA-N 0 1 281.346 3.882 20 0 CHADMN COc1c(F)ccc(CN2CCCC[C@@H](C)C2)c1F ZINC001143320226 1132536551 /nfs/dbraw/zinc/53/65/51/1132536551.db2.gz GXTVXWCZXORBDC-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1cc(C)cc(O)c1 ZINC001232885406 1132537057 /nfs/dbraw/zinc/53/70/57/1132537057.db2.gz HMOBWEAUAGGIOQ-CQSZACIVSA-N 0 1 285.387 3.902 20 0 CHADMN C[C@@H]1CCN1Cc1cccc(SC(F)(F)F)c1 ZINC001232944644 1132548133 /nfs/dbraw/zinc/54/81/33/1132548133.db2.gz RKAFQRNDHDBNIV-SECBINFHSA-N 0 1 261.312 3.893 20 0 CHADMN Oc1c(Cl)ccc(Nc2cn3ccccc3n2)c1F ZINC001214797734 1132551179 /nfs/dbraw/zinc/55/11/79/1132551179.db2.gz FKZBYHLAACTZRX-UHFFFAOYSA-N 0 1 277.686 3.576 20 0 CHADMN Cc1nc2ccc(NC(=O)Cc3cc(C)cc(C)c3)cc2[nH]1 ZINC001150106921 1132551701 /nfs/dbraw/zinc/55/17/01/1132551701.db2.gz UGWYSQUGFAQTFX-UHFFFAOYSA-N 0 1 293.370 3.669 20 0 CHADMN Cc1ncc(F)cc1CN1CC[C@@H](c2cccc(F)c2)C1 ZINC001232990767 1132557553 /nfs/dbraw/zinc/55/75/53/1132557553.db2.gz QDZOVYBLCSDEKF-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN COc1cc(Cl)cc(F)c1CN(C)CCC1CC1 ZINC001233003938 1132559615 /nfs/dbraw/zinc/55/96/15/1132559615.db2.gz ZXOWMEQRDXQMTN-UHFFFAOYSA-N 0 1 271.763 3.720 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2cc(O)cc(Br)c2)C1 ZINC001232998706 1132560729 /nfs/dbraw/zinc/56/07/29/1132560729.db2.gz FEGIRMPVTPPSJQ-GHMZBOCLSA-N 0 1 298.224 3.633 20 0 CHADMN CCOC(=O)c1ccsc1CN1CC[C@@H]2CCC[C@@H]2C1 ZINC001233018655 1132563363 /nfs/dbraw/zinc/56/33/63/1132563363.db2.gz CRQZMDSDHUXIMN-QWHCGFSZSA-N 0 1 293.432 3.547 20 0 CHADMN Oc1cnc(Cl)cc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC001233035291 1132565399 /nfs/dbraw/zinc/56/53/99/1132565399.db2.gz CWWQSTOHOSNJHX-CQSZACIVSA-N 0 1 288.778 3.778 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(F)c(F)c1 ZINC001173866656 1132568182 /nfs/dbraw/zinc/56/81/82/1132568182.db2.gz OKZNFXXWOGLFFY-UHFFFAOYSA-N 0 1 277.249 3.804 20 0 CHADMN CCc1ccc(Nc2cccc(N3CCN(C)CC3)c2)cc1 ZINC001173868663 1132570540 /nfs/dbraw/zinc/57/05/40/1132570540.db2.gz PFMVCAMCCQWEIB-UHFFFAOYSA-N 0 1 295.430 3.744 20 0 CHADMN Fc1ccc2c(c1)n[nH]c2CN1CCC[C@H]2CCCC[C@H]21 ZINC001233122597 1132573036 /nfs/dbraw/zinc/57/30/36/1132573036.db2.gz BXYCFQKPCPERNC-SJKOYZFVSA-N 0 1 287.382 3.857 20 0 CHADMN C[N@@H+](Cc1cc(F)c([O-])c(F)c1)[C@H]1CCc2ccccc21 ZINC000131991327 1132576435 /nfs/dbraw/zinc/57/64/35/1132576435.db2.gz MIKUZKGUPAAFNI-INIZCTEOSA-N 0 1 289.325 3.790 20 0 CHADMN CCCC1CCN(C(=O)c2nc3cccc(C)c3[nH]2)CC1 ZINC001151988146 1132577064 /nfs/dbraw/zinc/57/70/64/1132577064.db2.gz KACYQWHITXJIOF-UHFFFAOYSA-N 0 1 285.391 3.524 20 0 CHADMN Cc1cc(CN(C)Cc2cccc(Cl)c2)cnc1C ZINC001233164423 1132577767 /nfs/dbraw/zinc/57/77/67/1132577767.db2.gz UOXMSKYIYCOOMS-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1cccc(-c2ccc(CN3C[C@H](F)C[C@H]3CO)cc2)c1 ZINC001233223576 1132582167 /nfs/dbraw/zinc/58/21/67/1132582167.db2.gz OHNGPQCRURFLKC-MOPGFXCFSA-N 0 1 299.389 3.567 20 0 CHADMN Cc1ccc(Cl)cc1CN(C)C1CC(F)(F)C1 ZINC001233248002 1132585959 /nfs/dbraw/zinc/58/59/59/1132585959.db2.gz TWVAHFJTGUBAST-UHFFFAOYSA-N 0 1 259.727 3.878 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC001152804827 1132586447 /nfs/dbraw/zinc/58/64/47/1132586447.db2.gz GNNUWSKGBGJXNK-VYDXJSESSA-N 0 1 282.472 3.534 20 0 CHADMN C[C@@H]1C(=O)CC[N@@H+](Cc2ccc([S-])cc2)C12CCCC2 ZINC001233263241 1132593532 /nfs/dbraw/zinc/59/35/32/1132593532.db2.gz MLXFOYINHXUNJE-CYBMUJFWSA-N 0 1 289.444 3.699 20 0 CHADMN COCOc1cccc(CN2CC[C@H]2c2ccccc2)c1 ZINC001233282183 1132594399 /nfs/dbraw/zinc/59/43/99/1132594399.db2.gz GJDLWOYVPQGVTO-SFHVURJKSA-N 0 1 283.371 3.616 20 0 CHADMN C=Cc1ccc(NC(=O)c2cccc3nc(C)[nH]c32)cc1 ZINC001153608963 1132597480 /nfs/dbraw/zinc/59/74/80/1132597480.db2.gz QZYUJDSDCYOWGI-UHFFFAOYSA-N 0 1 277.327 3.767 20 0 CHADMN CC(=O)c1ccc(Nc2ccccc2CN(C)C)cc1 ZINC001173897287 1132601015 /nfs/dbraw/zinc/60/10/15/1132601015.db2.gz PXWSWUQUQMULHH-UHFFFAOYSA-N 0 1 268.360 3.694 20 0 CHADMN Cc1cnsc1CN(C)[C@@H]1CCc2ccccc21 ZINC001233323327 1132601707 /nfs/dbraw/zinc/60/17/07/1132601707.db2.gz QFXFDNKRNZLRRM-CQSZACIVSA-N 0 1 258.390 3.571 20 0 CHADMN C[C@H]1COCCN1Cc1cccc(-c2ccccc2)c1 ZINC000509403703 1132602155 /nfs/dbraw/zinc/60/21/55/1132602155.db2.gz PYDNADZEYUDBDT-HNNXBMFYSA-N 0 1 267.372 3.574 20 0 CHADMN C[C@@H]1CCN(Cc2cc(O)ccc2Br)[C@H](C)C1 ZINC000133743472 1132604413 /nfs/dbraw/zinc/60/44/13/1132604413.db2.gz OMSNZRGWLRABFV-GHMZBOCLSA-N 0 1 298.224 3.775 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(F)c(OC)cc2F)C1 ZINC001233344217 1132605564 /nfs/dbraw/zinc/60/55/64/1132605564.db2.gz TZKDABHWOIFTKH-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN COc1cc(F)c(CN2CC[C@H]3CCCC[C@H]3C2)cc1F ZINC001233343397 1132606795 /nfs/dbraw/zinc/60/67/95/1132606795.db2.gz LNGNOSQUKGGGGQ-OLZOCXBDSA-N 0 1 295.373 3.986 20 0 CHADMN Nc1ccc(CN2CCC[C@@H]2c2ccccn2)c(Cl)c1 ZINC001233376093 1132611470 /nfs/dbraw/zinc/61/14/70/1132611470.db2.gz QCNNQMDEJREWCN-MRXNPFEDSA-N 0 1 287.794 3.654 20 0 CHADMN Fc1ccccc1[C@@H]1CCCN1Cc1cccc2nccn21 ZINC001233363284 1132611621 /nfs/dbraw/zinc/61/16/21/1132611621.db2.gz TYTCTUZOESPSMO-KRWDZBQOSA-N 0 1 295.361 3.811 20 0 CHADMN Cc1ncc(CN(Cc2cccc(C)c2C)C2CC2)o1 ZINC001233368461 1132612394 /nfs/dbraw/zinc/61/23/94/1132612394.db2.gz QYVLJFWSBVOKQB-UHFFFAOYSA-N 0 1 270.376 3.764 20 0 CHADMN COc1ccc(C(C)C)cc1Nc1c(C)ncn1C ZINC001173916856 1132612598 /nfs/dbraw/zinc/61/25/98/1132612598.db2.gz NCAYQECKXYWZIM-UHFFFAOYSA-N 0 1 259.353 3.604 20 0 CHADMN Clc1ccn2cc(CN3CC[C@H]4CCC[C@@H]4C3)nc2c1 ZINC001233389689 1132614716 /nfs/dbraw/zinc/61/47/16/1132614716.db2.gz UVPBNRLYPWLPIB-CHWSQXEVSA-N 0 1 289.810 3.610 20 0 CHADMN Clc1ncnc(Cl)c1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001233410229 1132618363 /nfs/dbraw/zinc/61/83/63/1132618363.db2.gz DWMMELBXQZOINK-ONGXEEELSA-N 0 1 286.206 3.548 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1cn2cccc(Cl)c2n1 ZINC001233423669 1132620953 /nfs/dbraw/zinc/62/09/53/1132620953.db2.gz HCFTUSXQBLNDDK-AWEZNQCLSA-N 0 1 277.799 3.608 20 0 CHADMN C[C@H]1CCCCN1Cc1ccn(C(=O)OC(C)(C)C)c1 ZINC001233429536 1132621589 /nfs/dbraw/zinc/62/15/89/1132621589.db2.gz FBTCOXQUJUCKPT-ZDUSSCGKSA-N 0 1 278.396 3.646 20 0 CHADMN Brc1cc(CN2CCCC3(CCCC3)C2)c[nH]1 ZINC001233434979 1132622341 /nfs/dbraw/zinc/62/23/41/1132622341.db2.gz KGFACQOFLQGMPF-UHFFFAOYSA-N 0 1 297.240 3.933 20 0 CHADMN Cc1cnc(NCc2cccc(OC(F)F)c2)c(C)c1 ZINC001154670318 1132622926 /nfs/dbraw/zinc/62/29/26/1132622926.db2.gz YLAUSUHXYGNYTJ-UHFFFAOYSA-N 0 1 278.302 3.912 20 0 CHADMN Clc1ccccc1-c1cc(Nc2ccncc2)on1 ZINC001173882483 1132623291 /nfs/dbraw/zinc/62/32/91/1132623291.db2.gz WJYNFRKSUIULAZ-UHFFFAOYSA-N 0 1 271.707 3.556 20 0 CHADMN Clc1ccc(Br)cc1Nc1ccncc1 ZINC001173883250 1132623412 /nfs/dbraw/zinc/62/34/12/1132623412.db2.gz DARXASVVOKXZJS-UHFFFAOYSA-N 0 1 283.556 3.663 20 0 CHADMN COc1ccc(-c2ccccc2Nc2ccncc2)cc1 ZINC001173883136 1132623840 /nfs/dbraw/zinc/62/38/40/1132623840.db2.gz ISMKQJMOCQRJLE-UHFFFAOYSA-N 0 1 276.339 3.923 20 0 CHADMN Clc1ccc(Nc2ccncc2)c(Br)c1 ZINC001173883056 1132624167 /nfs/dbraw/zinc/62/41/67/1132624167.db2.gz DTXGZRASKDZGFH-UHFFFAOYSA-N 0 1 283.556 3.663 20 0 CHADMN FC(F)(F)c1ccc2ncc(Nc3ccncc3)cc2c1 ZINC001173881179 1132624172 /nfs/dbraw/zinc/62/41/72/1132624172.db2.gz FEWNSVPEFWJMSP-UHFFFAOYSA-N 0 1 289.260 3.814 20 0 CHADMN COc1c(Cl)cc(Cl)cc1Nc1ccncc1 ZINC001173884384 1132625085 /nfs/dbraw/zinc/62/50/85/1132625085.db2.gz GRTZOUVMQHHIDU-UHFFFAOYSA-N 0 1 269.131 3.563 20 0 CHADMN Fc1c(Cl)c(Cl)ccc1Nc1ccncc1 ZINC001173883580 1132625703 /nfs/dbraw/zinc/62/57/03/1132625703.db2.gz TYGJBOIYXOPFOM-UHFFFAOYSA-N 0 1 257.095 3.693 20 0 CHADMN Cc1cccc2ccnc(N[C@H]3CC[C@](C)(O)CC3)c12 ZINC001154955192 1132632478 /nfs/dbraw/zinc/63/24/78/1132632478.db2.gz BOUHOHOVLYVVRB-CZIWCDLHSA-N 0 1 270.376 3.649 20 0 CHADMN COc1ccc2c(ccnc2N[C@@H]2CCCC[C@H]2F)c1 ZINC001155059986 1132638131 /nfs/dbraw/zinc/63/81/31/1132638131.db2.gz VIJHOXGUVQMPRM-HUUCEWRRSA-N 0 1 274.339 3.936 20 0 CHADMN Cc1cc(Nc2cccc(F)c2F)n(-c2ccncc2)n1 ZINC001173946029 1132654160 /nfs/dbraw/zinc/65/41/60/1132654160.db2.gz PHDQPGNNRMABRR-UHFFFAOYSA-N 0 1 286.285 3.598 20 0 CHADMN Cc1cc(Br)cnc1NC1=CCCC1 ZINC001173997859 1132669912 /nfs/dbraw/zinc/66/99/12/1132669912.db2.gz YLAIFEFTHGXLJI-UHFFFAOYSA-N 0 1 253.143 3.632 20 0 CHADMN Cc1ccc(Br)nc1NC1=CCCC1 ZINC001173998254 1132670229 /nfs/dbraw/zinc/67/02/29/1132670229.db2.gz AUVONQBAPITDPZ-UHFFFAOYSA-N 0 1 253.143 3.632 20 0 CHADMN COC(=O)c1cc(Cl)c(N=C2CCCC2)cc1OC ZINC001173999330 1132671238 /nfs/dbraw/zinc/67/12/38/1132671238.db2.gz CPXDVJYOBHMDGH-UHFFFAOYSA-N 0 1 281.739 3.615 20 0 CHADMN CCc1ccc(Cl)c(O[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC001233762663 1132676650 /nfs/dbraw/zinc/67/66/50/1132676650.db2.gz UKIFLFQIEYXJLG-CYBMUJFWSA-N 0 1 267.800 3.764 20 0 CHADMN CCc1nc[nH]c1C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 ZINC001156191441 1132687954 /nfs/dbraw/zinc/68/79/54/1132687954.db2.gz RHVAXXOLVCCCJO-ZDUSSCGKSA-N 0 1 297.402 3.762 20 0 CHADMN Nc1ccc2c(ccn2-c2ccnc3ccccc32)c1 ZINC001174038464 1132702735 /nfs/dbraw/zinc/70/27/35/1132702735.db2.gz MDOINLJECFKQIU-UHFFFAOYSA-N 0 1 259.312 3.761 20 0 CHADMN Cc1cc2ccccc2c(NC2(C3CCOCC3)CC2)n1 ZINC001156919914 1132714786 /nfs/dbraw/zinc/71/47/86/1132714786.db2.gz XXBKYMQCUSTOFG-UHFFFAOYSA-N 0 1 282.387 3.914 20 0 CHADMN COC(=O)[C@H]1CC[C@H](Nc2nc(C)cc3ccccc32)CC1 ZINC001157038424 1132719128 /nfs/dbraw/zinc/71/91/28/1132719128.db2.gz JGOVLVNOKBZVHY-CTYIDZIISA-N 0 1 298.386 3.687 20 0 CHADMN CC[C@H](CC1CCCC1)C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001157120271 1132722094 /nfs/dbraw/zinc/72/20/94/1132722094.db2.gz TUMISJMPMZFIFK-CQSZACIVSA-N 0 1 291.439 3.756 20 0 CHADMN CC[C@@H](C)Nc1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001157230060 1132725106 /nfs/dbraw/zinc/72/51/06/1132725106.db2.gz IOTFBLSAMOILMH-OAHLLOKOSA-N 0 1 295.430 3.850 20 0 CHADMN Cc1ccc2nc(N(C(=N)N)c3ccc(F)cc3)ccc2c1 ZINC001157224923 1132725163 /nfs/dbraw/zinc/72/51/63/1132725163.db2.gz NREFYPDTFZWKSB-UHFFFAOYSA-N 0 1 294.333 3.714 20 0 CHADMN CCOc1ccnc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC001157298177 1132726586 /nfs/dbraw/zinc/72/65/86/1132726586.db2.gz CUFZVQKHQXWCTM-SWLSCSKDSA-N 0 1 290.313 3.727 20 0 CHADMN Cc1ccc(F)c(Nc2ccccc2N2CCN(C)CC2)c1 ZINC001174111713 1132726861 /nfs/dbraw/zinc/72/68/61/1132726861.db2.gz BVBHCNIZZLJLGQ-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN Cc1cnc(N[C@H]2CCNc3ccccc32)cc1C ZINC001157837161 1132747554 /nfs/dbraw/zinc/74/75/54/1132747554.db2.gz PILIGRWMPSFYKJ-HNNXBMFYSA-N 0 1 253.349 3.667 20 0 CHADMN Cc1ccc(N[C@@H]2CCNc3ccccc32)nc1C ZINC001157836914 1132748057 /nfs/dbraw/zinc/74/80/57/1132748057.db2.gz YTSKFVYOZUZNSN-OAHLLOKOSA-N 0 1 253.349 3.667 20 0 CHADMN Cc1cnc(NCCCCc2ccccn2)c(C)c1 ZINC001157973020 1132757533 /nfs/dbraw/zinc/75/75/33/1132757533.db2.gz UEAQHZZRSNNIMO-UHFFFAOYSA-N 0 1 255.365 3.528 20 0 CHADMN CCCCCC(C)(C)C(=O)N1CCN([C@H](C)CC)CC1 ZINC001158144339 1132764914 /nfs/dbraw/zinc/76/49/14/1132764914.db2.gz GJZNIAVJLKCOSA-OAHLLOKOSA-N 0 1 282.472 3.536 20 0 CHADMN CCCOC(=O)c1ccc(Nc2ccc3nccn3c2)cc1 ZINC001174279684 1132769747 /nfs/dbraw/zinc/76/97/47/1132769747.db2.gz GQHSIZNDFRBKNK-UHFFFAOYSA-N 0 1 295.342 3.645 20 0 CHADMN CO[C@@H]1CCOc2c(Nc3ccc4nccn4c3)cccc21 ZINC001174279461 1132770476 /nfs/dbraw/zinc/77/04/76/1132770476.db2.gz AKQPSJORQLJSDP-OAHLLOKOSA-N 0 1 295.342 3.548 20 0 CHADMN CCN(C)c1cc(C)nc(N[C@H]2C[C@H](C)c3ccccc32)n1 ZINC001158466102 1132776284 /nfs/dbraw/zinc/77/62/84/1132776284.db2.gz CVQCFZMVMSORRN-LRDDRELGSA-N 0 1 296.418 3.902 20 0 CHADMN c1cn2cc(Nc3cncc(-c4ccccn4)c3)ccc2n1 ZINC001174278606 1132785174 /nfs/dbraw/zinc/78/51/74/1132785174.db2.gz NDAQQOGUGITPAV-UHFFFAOYSA-N 0 1 287.326 3.535 20 0 CHADMN Clc1ccc2nccc(Nc3ccc4nccn4c3)c2c1 ZINC001174276999 1132785759 /nfs/dbraw/zinc/78/57/59/1132785759.db2.gz BYVAUWOMRXOUSV-UHFFFAOYSA-N 0 1 294.745 3.701 20 0 CHADMN c1cn2cc(Nc3cccc4ncccc43)ccc2n1 ZINC001174276847 1132786554 /nfs/dbraw/zinc/78/65/54/1132786554.db2.gz SJMBIEQRHJQIOM-UHFFFAOYSA-N 0 1 260.300 3.626 20 0 CHADMN Fc1ccc(Nc2ccc3nccn3c2)c2ncccc12 ZINC001174278550 1132786734 /nfs/dbraw/zinc/78/67/34/1132786734.db2.gz YUWYKMCSBUFUBG-UHFFFAOYSA-N 0 1 278.290 3.765 20 0 CHADMN c1cn2cc(Nc3cncc(C4CCC4)c3)ccc2n1 ZINC001174278655 1132786773 /nfs/dbraw/zinc/78/67/73/1132786773.db2.gz OPPRSDUJPJEJGW-UHFFFAOYSA-N 0 1 264.332 3.740 20 0 CHADMN CN(c1nc2[nH]cnc2cc1Cl)[C@@H]1CCc2ccccc21 ZINC001158920573 1132799184 /nfs/dbraw/zinc/79/91/84/1132799184.db2.gz CTXANEIXACWRAD-CQSZACIVSA-N 0 1 298.777 3.735 20 0 CHADMN c1cn(Cc2ccc(Nc3cccc4[nH]ncc43)cc2)cn1 ZINC001174344331 1132800995 /nfs/dbraw/zinc/80/09/95/1132800995.db2.gz VIDKWXJUUTWQGL-UHFFFAOYSA-N 0 1 289.342 3.551 20 0 CHADMN Cc1cc(C)c(O)c(Nc2cccc3[nH]ncc32)c1 ZINC001174343715 1132801333 /nfs/dbraw/zinc/80/13/33/1132801333.db2.gz FRUXCJZVHHYHQM-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Oc1c(Cl)cccc1Nc1cccc2[nH]ncc21 ZINC001174344067 1132801480 /nfs/dbraw/zinc/80/14/80/1132801480.db2.gz MDSWCYCGEIKEFR-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN Oc1cc(Nc2cccc3[nH]ncc32)c(F)cc1Cl ZINC001174344345 1132801632 /nfs/dbraw/zinc/80/16/32/1132801632.db2.gz VSSUAYRYFJJQAE-UHFFFAOYSA-N 0 1 277.686 3.805 20 0 CHADMN CCC(=O)Nc1cccc(Nc2cccc3[nH]ncc32)c1 ZINC001174343563 1132801842 /nfs/dbraw/zinc/80/18/42/1132801842.db2.gz BXIIQWYOIUVYJE-UHFFFAOYSA-N 0 1 280.331 3.655 20 0 CHADMN CC(=O)Nc1cc(Nc2cccc3[nH]ncc32)ccc1C ZINC001174344353 1132802558 /nfs/dbraw/zinc/80/25/58/1132802558.db2.gz WBATXPDLUXCLAV-UHFFFAOYSA-N 0 1 280.331 3.573 20 0 CHADMN O=c1ccc2cc(Nc3cccc4[nH]ncc43)c[nH]c-2c1 ZINC001174343414 1132802666 /nfs/dbraw/zinc/80/26/66/1132802666.db2.gz RPYPEJCHAKUNHL-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN COc1ccc(Nc2cccc3[nH]ncc32)c(Cl)c1 ZINC001174345860 1132803211 /nfs/dbraw/zinc/80/32/11/1132803211.db2.gz XZEFBZKNVAICPW-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN c1n[nH]c2cccc(Nc3cccnc3-c3ccccn3)c12 ZINC001174344661 1132803270 /nfs/dbraw/zinc/80/32/70/1132803270.db2.gz LYMQEEOOOXYTFY-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN Nc1ccc(Nc2cccc3[nH]ncc32)c(Cl)c1 ZINC001174345647 1132803283 /nfs/dbraw/zinc/80/32/83/1132803283.db2.gz KYIRXTWUXCTFOO-UHFFFAOYSA-N 0 1 258.712 3.542 20 0 CHADMN O=c1[nH]ccc2c(Nc3cccc4[nH]ncc43)cccc12 ZINC001174345852 1132803526 /nfs/dbraw/zinc/80/35/26/1132803526.db2.gz XKBIPIXQXPDDPI-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN CC(=O)c1ccc(F)cc1Nc1cccc2[nH]ncc21 ZINC001174344783 1132803559 /nfs/dbraw/zinc/80/35/59/1132803559.db2.gz CXTUBIQYTQZNIF-UHFFFAOYSA-N 0 1 269.279 3.648 20 0 CHADMN COc1c(Cl)cccc1Nc1cccc2[nH]ncc21 ZINC001174344664 1132803855 /nfs/dbraw/zinc/80/38/55/1132803855.db2.gz MGUCUZLCGSJFBF-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN FC(F)Oc1ccc(Nc2cccc3[nH]ncc32)cc1 ZINC001174345029 1132804895 /nfs/dbraw/zinc/80/48/95/1132804895.db2.gz UVFIZWZRPFOTHG-UHFFFAOYSA-N 0 1 275.258 3.908 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccc2cc(N)ccc2c1 ZINC001159113391 1132808907 /nfs/dbraw/zinc/80/89/07/1132808907.db2.gz PGPHOWZWNRHUQM-UHFFFAOYSA-N 0 1 288.354 3.652 20 0 CHADMN Cc1cnc(NCc2nc(-c3ccccc3)cs2)c(N)c1 ZINC001159214411 1132816812 /nfs/dbraw/zinc/81/68/12/1132816812.db2.gz PNLFBOFVOUZVTL-UHFFFAOYSA-N 0 1 296.399 3.708 20 0 CHADMN c1cc(Nc2ccc3ncsc3c2)n(-c2ccncc2)n1 ZINC001174364361 1132821166 /nfs/dbraw/zinc/82/11/66/1132821166.db2.gz DFPKSYCSSXQWAT-UHFFFAOYSA-N 0 1 293.355 3.621 20 0 CHADMN Cc1ccc(Nc2cc([C@@H]3CCCCN3)no2)cc1C ZINC001159309582 1132827443 /nfs/dbraw/zinc/82/74/43/1132827443.db2.gz VTXYKLQGKBCGDI-AWEZNQCLSA-N 0 1 271.364 3.850 20 0 CHADMN Cc1cc(Nc2cc([C@H]3CCCCN3)no2)c(C)s1 ZINC001159309628 1132828273 /nfs/dbraw/zinc/82/82/73/1132828273.db2.gz WYAXWVDTOJZCEE-LLVKDONJSA-N 0 1 277.393 3.911 20 0 CHADMN Cc1ccc(F)cc1Nc1cc([C@H]2CCCCN2)no1 ZINC001159309896 1132829581 /nfs/dbraw/zinc/82/95/81/1132829581.db2.gz ZBXYXFLXPNGEGO-GFCCVEGCSA-N 0 1 275.327 3.680 20 0 CHADMN c1c(Nc2ccc3c(c2)CCCO3)onc1[C@H]1CCCCN1 ZINC001159309652 1132829678 /nfs/dbraw/zinc/82/96/78/1132829678.db2.gz XKIOBMSZUGPKFT-CQSZACIVSA-N 0 1 299.374 3.558 20 0 CHADMN Nc1cccc(Nc2ccc(Cl)c(O)c2F)c1 ZINC001159464625 1132849731 /nfs/dbraw/zinc/84/97/31/1132849731.db2.gz KKXJQBXRBQQLQU-UHFFFAOYSA-N 0 1 252.676 3.511 20 0 CHADMN Fc1cc(Nc2ccc3c[nH]nc3c2)c(F)c(F)c1F ZINC001174500235 1132861310 /nfs/dbraw/zinc/86/13/10/1132861310.db2.gz LWSWOTHPHYNVEY-UHFFFAOYSA-N 0 1 281.212 3.863 20 0 CHADMN c1[nH]nc2cc(Nc3cccnc3C3CCC3)ccc12 ZINC001174498717 1132863666 /nfs/dbraw/zinc/86/36/66/1132863666.db2.gz LCPNUQUPTQFRMW-UHFFFAOYSA-N 0 1 264.332 3.969 20 0 CHADMN Fc1ccc2cc(Nc3ccc4c[nH]nc4c3)cnc2c1 ZINC001174498354 1132863709 /nfs/dbraw/zinc/86/37/09/1132863709.db2.gz KGQAZCZIJNXSTQ-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN c1[nH]nc2cc(Nc3cccnc3N3CCCCC3)ccc12 ZINC001174498114 1132864133 /nfs/dbraw/zinc/86/41/33/1132864133.db2.gz VOBZFEVIYBLFSL-UHFFFAOYSA-N 0 1 293.374 3.692 20 0 CHADMN CCc1cc(OC)ccc1Nc1cccc2[nH]ncc21 ZINC001159574891 1132864268 /nfs/dbraw/zinc/86/42/68/1132864268.db2.gz PLQHSWUZTOHWLX-UHFFFAOYSA-N 0 1 267.332 3.878 20 0 CHADMN Cc1c(F)c(F)ccc1Nc1cccc2[nH]ncc21 ZINC001159574381 1132864307 /nfs/dbraw/zinc/86/43/07/1132864307.db2.gz FHLJGJPKVDEPTJ-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1ccnc(Cl)c1Nc1ccc2c[nH]nc2c1 ZINC001174498480 1132864252 /nfs/dbraw/zinc/86/42/52/1132864252.db2.gz GCPKVYRKAODYNC-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN c1[nH]nc2cc(Nc3cc(-c4ccncn4)cs3)ccc12 ZINC001174497919 1132864263 /nfs/dbraw/zinc/86/42/63/1132864263.db2.gz BKDMZQVHFBDNMT-UHFFFAOYSA-N 0 1 293.355 3.825 20 0 CHADMN Fc1ccc2nc(Nc3ccc4cn[nH]c4c3)oc2c1 ZINC001174498841 1132864686 /nfs/dbraw/zinc/86/46/86/1132864686.db2.gz KALWCLZFGOPARE-UHFFFAOYSA-N 0 1 268.251 3.587 20 0 CHADMN COc1cc(C)cc(F)c1Nc1cccc2[nH]ncc21 ZINC001159574815 1132864757 /nfs/dbraw/zinc/86/47/57/1132864757.db2.gz MXYDCSXGBFMTSZ-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1c(F)ccc(F)c1Nc1cccc2[nH]ncc21 ZINC001159574789 1132864989 /nfs/dbraw/zinc/86/49/89/1132864989.db2.gz MILRUYGBRFBZHP-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN COc1ccc(F)c(F)c1Nc1cccc2[nH]ncc21 ZINC001159574273 1132865020 /nfs/dbraw/zinc/86/50/20/1132865020.db2.gz PHCJFFNDCYVALP-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN CCOc1cc(Nc2cccc3[nH]ncc32)c(Cl)cn1 ZINC001159575370 1132866419 /nfs/dbraw/zinc/86/64/19/1132866419.db2.gz ZEQVPWGBZBEPOB-UHFFFAOYSA-N 0 1 288.738 3.754 20 0 CHADMN FC(F)(F)c1csc(Nc2ccc3cn[nH]c3c2)n1 ZINC001174499763 1132872114 /nfs/dbraw/zinc/87/21/14/1132872114.db2.gz WHKKEFBKUSMLCF-UHFFFAOYSA-N 0 1 284.266 3.782 20 0 CHADMN Cc1cc(OC(C)C)ncc1Nc1ccc2c[nH]nc2c1 ZINC001159662841 1132886641 /nfs/dbraw/zinc/88/66/41/1132886641.db2.gz HNRJIMSCFKCUST-UHFFFAOYSA-N 0 1 282.347 3.797 20 0 CHADMN COc1c(C)ccc(F)c1Nc1ccc2c[nH]nc2c1 ZINC001159663132 1132888292 /nfs/dbraw/zinc/88/82/92/1132888292.db2.gz QPBSCURSVWFUET-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1c(F)ccc(Nc2ccc3c[nH]nc3c2)c1F ZINC001159663387 1132888437 /nfs/dbraw/zinc/88/84/37/1132888437.db2.gz ZAVXPEVETFXQMC-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1cc(F)cc(Nc2cccc(N3CCN(C)CC3)c2)c1 ZINC001174528951 1132891320 /nfs/dbraw/zinc/89/13/20/1132891320.db2.gz QDBCTTBEUUFGMQ-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN COc1cc(Nc2ccc3c[nH]nc3c2)ccc1C(C)=O ZINC001174501208 1132902448 /nfs/dbraw/zinc/90/24/48/1132902448.db2.gz HKAHKAJLDDFOFW-UHFFFAOYSA-N 0 1 281.315 3.518 20 0 CHADMN CC(=O)c1c(F)cccc1Nc1ccc2c[nH]nc2c1 ZINC001174500938 1132902886 /nfs/dbraw/zinc/90/28/86/1132902886.db2.gz BXOMIYFVNJLHLO-UHFFFAOYSA-N 0 1 269.279 3.648 20 0 CHADMN Cc1nc2ccc(Nc3ccc4c[nH]nc4c3)cc2o1 ZINC001174501622 1132902773 /nfs/dbraw/zinc/90/27/73/1132902773.db2.gz BQYOBKVXNPWQPK-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN CCC(=O)c1ccc(Nc2ccc3c[nH]nc3c2)cc1 ZINC001174501480 1132903387 /nfs/dbraw/zinc/90/33/87/1132903387.db2.gz VJHNOUWDZYMQGR-UHFFFAOYSA-N 0 1 265.316 3.899 20 0 CHADMN CN(c1ccc2c[nH]nc2c1)c1cc(Cl)ccc1N ZINC001174501779 1132903524 /nfs/dbraw/zinc/90/35/24/1132903524.db2.gz FKXRKMFACCBIFX-UHFFFAOYSA-N 0 1 272.739 3.566 20 0 CHADMN c1[nH]nc2cc(Nc3cccc4c3CCCO4)ccc12 ZINC001174502277 1132904089 /nfs/dbraw/zinc/90/40/89/1132904089.db2.gz KANSWVDJMBJAEN-UHFFFAOYSA-N 0 1 265.316 3.632 20 0 CHADMN CC(C)(C)N1CC[C@H]1C(=O)Nc1cccc(C2CCC2)c1 ZINC001159936093 1132926373 /nfs/dbraw/zinc/92/63/73/1132926373.db2.gz NYMJLRVJJNLIAT-INIZCTEOSA-N 0 1 286.419 3.765 20 0 CHADMN CC[C@@H](C)C[C@@H](C)NC(=O)c1cc2c(Cl)[nH]ccc-2n1 ZINC001174600195 1132938929 /nfs/dbraw/zinc/93/89/29/1132938929.db2.gz HNLRSEKPYYHEPA-NXEZZACHSA-N 0 1 293.798 3.771 20 0 CHADMN COc1cc(Nc2cccc3[nH]ccc32)ncc1C ZINC001174648086 1132948355 /nfs/dbraw/zinc/94/83/55/1132948355.db2.gz PDLSXBPURCDDDY-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cccc(F)c1C ZINC001174667178 1132956072 /nfs/dbraw/zinc/95/60/72/1132956072.db2.gz OLBRLDSJZOBOAX-UHFFFAOYSA-N 0 1 273.286 3.973 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(C)c(N)c1 ZINC001160328945 1132962799 /nfs/dbraw/zinc/96/27/99/1132962799.db2.gz BLNBCMLQKDMUOF-UHFFFAOYSA-N 0 1 279.343 3.878 20 0 CHADMN Cc1ccc(NCc2ccn(Cc3ccccc3)n2)nc1C ZINC001160385361 1132968278 /nfs/dbraw/zinc/96/82/78/1132968278.db2.gz UUUODFZWVDGZLT-UHFFFAOYSA-N 0 1 292.386 3.555 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCCC[C@H]3C)n2)cc1 ZINC001160501431 1132973213 /nfs/dbraw/zinc/97/32/13/1132973213.db2.gz LBCIZQXCORTAJD-TZMCWYRMSA-N 0 1 298.390 3.545 20 0 CHADMN CCc1ccc(CN2CC[C@](CF)(C(F)(F)F)C2)o1 ZINC001204389719 1132974618 /nfs/dbraw/zinc/97/46/18/1132974618.db2.gz SRYFNPQATZWHDN-GFCCVEGCSA-N 0 1 279.277 3.566 20 0 CHADMN CC1(C)CC[C@@H](Nc2nc3[nH]cnc3cc2Cl)C1 ZINC001161033258 1132991169 /nfs/dbraw/zinc/99/11/69/1132991169.db2.gz HKAHBSYRWWTFRN-MRVPVSSYSA-N 0 1 264.760 3.602 20 0 CHADMN O=C(c1ccc(F)cc1O)N1CCC[C@H](C2CCC2)CC1 ZINC001161747665 1133022414 /nfs/dbraw/zinc/02/24/14/1133022414.db2.gz KYOCZKMPCUQFHY-ZDUSSCGKSA-N 0 1 291.366 3.574 20 0 CHADMN CC(C)(C)Oc1ccnc(NC2Cc3ccccc3C2)c1 ZINC001161760167 1133025427 /nfs/dbraw/zinc/02/54/27/1133025427.db2.gz CYTYAYLRZXFNQC-UHFFFAOYSA-N 0 1 282.387 3.838 20 0 CHADMN Cc1ccc(N[C@@H](c2cncc(F)c2)C2CC2)nc1C ZINC001161812718 1133030718 /nfs/dbraw/zinc/03/07/18/1133030718.db2.gz YHJHGIRIHCGLNY-MRXNPFEDSA-N 0 1 271.339 3.796 20 0 CHADMN FC(F)CNc1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC001161815379 1133031390 /nfs/dbraw/zinc/03/13/90/1133031390.db2.gz CQEIJJSAHNBMCU-UHFFFAOYSA-N 0 1 288.341 3.879 20 0 CHADMN Cc1cccnc1CNc1cc(OC(C)(C)C)ccn1 ZINC001161888744 1133038581 /nfs/dbraw/zinc/03/85/81/1133038581.db2.gz YEXMBNBRQNOJSQ-UHFFFAOYSA-N 0 1 271.364 3.574 20 0 CHADMN Cc1cccnc1CNc1ccc(C2C=NC(=S)N2)cc1 ZINC001161883655 1133038838 /nfs/dbraw/zinc/03/88/38/1133038838.db2.gz RNEVRTKXMULBHW-UHFFFAOYSA-N 0 1 296.399 3.681 20 0 CHADMN Cc1nc2cc(NCc3ccc4c(ccn4C)c3)ccc2[nH]1 ZINC001162168644 1133056474 /nfs/dbraw/zinc/05/64/74/1133056474.db2.gz BANBSJCNHZUIOM-UHFFFAOYSA-N 0 1 290.370 3.975 20 0 CHADMN CC(C)c1ccc2ncnc(NC3CN(C(C)(C)C)C3)c2c1 ZINC001162226380 1133061315 /nfs/dbraw/zinc/06/13/15/1133061315.db2.gz QQQCBSSFIAYXDF-UHFFFAOYSA-N 0 1 298.434 3.648 20 0 CHADMN c1cc2nc3cc(NCCC4CCOCC4)ccc3c-2c[nH]1 ZINC001162222888 1133061369 /nfs/dbraw/zinc/06/13/69/1133061369.db2.gz TYKRDBCRPAGGFD-UHFFFAOYSA-N 0 1 295.386 3.945 20 0 CHADMN Cc1cnc(N[C@H]2CCOc3c(F)cc(F)cc32)c(C)c1 ZINC001162405149 1133075217 /nfs/dbraw/zinc/07/52/17/1133075217.db2.gz CDIPKDWBGWSXHV-AWEZNQCLSA-N 0 1 290.313 3.912 20 0 CHADMN Cc1ccnc(NCc2cn(C)c3ccccc23)c1C ZINC001162827490 1133115361 /nfs/dbraw/zinc/11/53/61/1133115361.db2.gz LBMADLKNXKKRJM-UHFFFAOYSA-N 0 1 265.360 3.802 20 0 CHADMN Cc1cnc(N[C@H](C)c2cccc(F)c2Cl)c(N)c1 ZINC001162891860 1133118950 /nfs/dbraw/zinc/11/89/50/1133118950.db2.gz YPYRYOIICFBHES-SECBINFHSA-N 0 1 279.746 3.938 20 0 CHADMN Cc1ccc(N[C@H]2CCc3c2cccc3O)nc1C ZINC001163193828 1133134858 /nfs/dbraw/zinc/13/48/58/1133134858.db2.gz IAIKEOAPWKWFQZ-AWEZNQCLSA-N 0 1 254.333 3.503 20 0 CHADMN COc1ccccc1[C@@H]1CCN(c2cc(C)c(C)cn2)C1 ZINC001163809052 1133176508 /nfs/dbraw/zinc/17/65/08/1133176508.db2.gz MPUMUOGWYITIPN-OAHLLOKOSA-N 0 1 282.387 3.701 20 0 CHADMN COC(=O)Cc1cc(NCc2ccc(C(C)C)cc2)ccn1 ZINC001163822472 1133177033 /nfs/dbraw/zinc/17/70/33/1133177033.db2.gz HEUVQAIHPPPBEU-UHFFFAOYSA-N 0 1 298.386 3.533 20 0 CHADMN Nc1ccccc1CNc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001163890709 1133183008 /nfs/dbraw/zinc/18/30/08/1133183008.db2.gz JUYCGDVKWLVFOD-UHFFFAOYSA-N 0 1 288.354 3.910 20 0 CHADMN CN1CCN(C(=O)C(C)(C)CC(C)(C)C)C[C@H]1C(C)(C)C ZINC001163930245 1133184994 /nfs/dbraw/zinc/18/49/94/1133184994.db2.gz PTOVWZZTODAQLC-AWEZNQCLSA-N 0 1 296.499 3.638 20 0 CHADMN CCOc1ccnc(N2CCc3ccccc3[C@@H]2C)c1 ZINC001163955132 1133187358 /nfs/dbraw/zinc/18/73/58/1133187358.db2.gz MHEGBEFLEZUFFM-ZDUSSCGKSA-N 0 1 268.360 3.604 20 0 CHADMN FC(F)(F)c1cnccc1NCCC[C@H]1C=CCC1 ZINC001164056083 1133195343 /nfs/dbraw/zinc/19/53/43/1133195343.db2.gz ZEVHRRDDZBCPDT-NSHDSACASA-N 0 1 270.298 3.681 20 0 CHADMN FC(F)(F)[C@H](Nc1cncc2cc[nH]c21)c1cccnc1 ZINC001164183782 1133204510 /nfs/dbraw/zinc/20/45/10/1133204510.db2.gz KGKZCIOJAJFXMC-CYBMUJFWSA-N 0 1 292.264 3.673 20 0 CHADMN Cc1ccc(C)c(NCCSCc2ccco2)n1 ZINC001164215606 1133207773 /nfs/dbraw/zinc/20/77/73/1133207773.db2.gz HHPUXRQAWAYQRC-UHFFFAOYSA-N 0 1 262.378 3.637 20 0 CHADMN COc1ccc2c(ccnc2N2CC[C@@](C)(F)[C@@H](F)C2)c1 ZINC001164325087 1133212328 /nfs/dbraw/zinc/21/23/28/1133212328.db2.gz AGEVRFXFHMOIAB-GOEBONIOSA-N 0 1 292.329 3.520 20 0 CHADMN Cc1cc2ccccc2c(N2CC[C@@](C)(F)[C@H](F)C2)n1 ZINC001164336254 1133214956 /nfs/dbraw/zinc/21/49/56/1133214956.db2.gz CHBGHWOALYJNKA-GDBMZVCRSA-N 0 1 276.330 3.820 20 0 CHADMN FC(F)(F)c1cnccc1NC[C@H]1C[C@@H]1C1CCCC1 ZINC001164380008 1133216817 /nfs/dbraw/zinc/21/68/17/1133216817.db2.gz QQDTYUPBVWEXIM-VXGBXAGGSA-N 0 1 284.325 3.761 20 0 CHADMN Cc1nccnc1CSc1nc2ccc(Cl)cc2[nH]1 ZINC001164447324 1133218890 /nfs/dbraw/zinc/21/88/90/1133218890.db2.gz GGGCNFQRUIFLEV-UHFFFAOYSA-N 0 1 290.779 3.607 20 0 CHADMN C[C@@H](CSc1nc(-c2ccccn2)n[nH]1)C(C)(C)C ZINC001164515349 1133221300 /nfs/dbraw/zinc/22/13/00/1133221300.db2.gz OIFZYVLOEWJUJY-JTQLQIEISA-N 0 1 276.409 3.641 20 0 CHADMN CCc1ccc(CN2CC[C@@H](Oc3ccc(F)cc3)C2)o1 ZINC001204393800 1133227919 /nfs/dbraw/zinc/22/79/19/1133227919.db2.gz TYLTXONTDDVBFX-QGZVFWFLSA-N 0 1 289.350 3.634 20 0 CHADMN COc1ccc([C@@H](C)SCc2[nH]ncc2C)cc1 ZINC001165584186 1133246308 /nfs/dbraw/zinc/24/63/08/1133246308.db2.gz IEZZHEWTYBMAEE-LLVKDONJSA-N 0 1 262.378 3.721 20 0 CHADMN Cc1cn[nH]c1CSc1nnc(-c2ccccc2)s1 ZINC001165650514 1133247560 /nfs/dbraw/zinc/24/75/60/1133247560.db2.gz XNVBXWZBJUYGJT-UHFFFAOYSA-N 0 1 288.401 3.529 20 0 CHADMN Cc1cc(C)nc(N(C)Cc2cccc3cccnc32)c1 ZINC001166689611 1133282966 /nfs/dbraw/zinc/28/29/66/1133282966.db2.gz TVUMJYFGOZSFDH-UHFFFAOYSA-N 0 1 277.371 3.883 20 0 CHADMN CCC(CC)CN(CC)Cc1ncccc1Cl ZINC001166997444 1133297822 /nfs/dbraw/zinc/29/78/22/1133297822.db2.gz SGTVCMGEAVQXNK-UHFFFAOYSA-N 0 1 254.805 3.993 20 0 CHADMN CC(C)Oc1ccnc(N2CCC[C@H]2c2nccs2)c1 ZINC001167042497 1133302348 /nfs/dbraw/zinc/30/23/48/1133302348.db2.gz UHZHMACATIDWFT-ZDUSSCGKSA-N 0 1 289.404 3.667 20 0 CHADMN C[C@@H](c1ccccc1)N(Cc1c[nH]nn1)Cc1ccccc1 ZINC001203200352 1133305414 /nfs/dbraw/zinc/30/54/14/1133305414.db2.gz QHBYBGAPAWVYAJ-HNNXBMFYSA-N 0 1 292.386 3.568 20 0 CHADMN CN(Cc1ccccc1Cl)C[C@H]1Cc2ccccc2O1 ZINC001203388219 1133321822 /nfs/dbraw/zinc/32/18/22/1133321822.db2.gz OFRJGCDZYKSIPR-OAHLLOKOSA-N 0 1 287.790 3.776 20 0 CHADMN O[C@H](CCNCc1c(F)cccc1Cl)C1CCCC1 ZINC001203426871 1133327294 /nfs/dbraw/zinc/32/72/94/1133327294.db2.gz ARDSORBQHIUYCZ-OAHLLOKOSA-N 0 1 285.790 3.510 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cnc(OC)cc1C ZINC001203521603 1133335354 /nfs/dbraw/zinc/33/53/54/1133335354.db2.gz DLZSFPCEQXXPNL-UHFFFAOYSA-N 0 1 295.342 3.699 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccc2c1OCO2 ZINC001203525036 1133336327 /nfs/dbraw/zinc/33/63/27/1133336327.db2.gz NGDVRJZJCQYZBG-UHFFFAOYSA-N 0 1 294.310 3.716 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(F)c(O)c1 ZINC001203525895 1133337226 /nfs/dbraw/zinc/33/72/26/1133337226.db2.gz HJKHTHVERFGEON-UHFFFAOYSA-N 0 1 284.290 3.832 20 0 CHADMN CCOc1ccccc1CN1CC[C@H](F)C(F)(F)CC1 ZINC001203535343 1133337265 /nfs/dbraw/zinc/33/72/65/1133337265.db2.gz QMASNFUYXONTEO-AWEZNQCLSA-N 0 1 287.325 3.655 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(F)cc1CO ZINC001203528545 1133337460 /nfs/dbraw/zinc/33/74/60/1133337460.db2.gz RERWTOCIBJWTEK-UHFFFAOYSA-N 0 1 298.317 3.618 20 0 CHADMN Cc1cc(C)cc(CNCc2noc3ccccc23)c1 ZINC001203645681 1133346681 /nfs/dbraw/zinc/34/66/81/1133346681.db2.gz VHDZBRPLNGBAQF-UHFFFAOYSA-N 0 1 266.344 3.734 20 0 CHADMN Cc1ccccc1CN1CCCC(F)(F)[C@H](F)C1 ZINC001203700124 1133355183 /nfs/dbraw/zinc/35/51/83/1133355183.db2.gz HOUTXEAGRMIFJT-CYBMUJFWSA-N 0 1 257.299 3.564 20 0 CHADMN COc1ccc(CN2Cc3ccccc3C2)c(C)c1C ZINC001203712014 1133356951 /nfs/dbraw/zinc/35/69/51/1133356951.db2.gz BXJZMBCDXYDMKS-UHFFFAOYSA-N 0 1 267.372 3.828 20 0 CHADMN COc1ccc(CN2CCOc3ccccc3C2)c(C)c1C ZINC001203725576 1133359836 /nfs/dbraw/zinc/35/98/36/1133359836.db2.gz TVVAZPQCVBPFEA-UHFFFAOYSA-N 0 1 297.398 3.707 20 0 CHADMN CC(C)c1nnc(Nc2cc(F)cc3[nH]ccc32)o1 ZINC001203726142 1133359927 /nfs/dbraw/zinc/35/99/27/1133359927.db2.gz TZLUTYPAFUMTMP-UHFFFAOYSA-N 0 1 260.272 3.557 20 0 CHADMN COc1cc(C)c(CN2CCc3c(O)cccc3C2)cc1C ZINC001203755052 1133364809 /nfs/dbraw/zinc/36/48/09/1133364809.db2.gz JBBVBRQZWMJBGO-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN Fc1cccc(C[N@H+]2CCSc3ccccc3C2)c1 ZINC001203788500 1133368970 /nfs/dbraw/zinc/36/89/70/1133368970.db2.gz MFCUNEOTWBCBRC-UHFFFAOYSA-N 0 1 273.376 3.934 20 0 CHADMN Fc1cccc(CN2CCSc3ccccc3C2)c1 ZINC001203788500 1133368976 /nfs/dbraw/zinc/36/89/76/1133368976.db2.gz MFCUNEOTWBCBRC-UHFFFAOYSA-N 0 1 273.376 3.934 20 0 CHADMN CCCCOC(=O)[C@@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC001203801376 1133371651 /nfs/dbraw/zinc/37/16/51/1133371651.db2.gz AMTYBGSZMUYDEU-CQSZACIVSA-N 0 1 295.810 3.505 20 0 CHADMN COc1ccc(Oc2cccc(CN3CCC3)c2)cc1 ZINC001203814070 1133374020 /nfs/dbraw/zinc/37/40/20/1133374020.db2.gz PYOIZSJUTGJQMQ-UHFFFAOYSA-N 0 1 269.344 3.693 20 0 CHADMN COc1ccc(C2=CCN(Cc3cccc(O)c3)CC2)cc1 ZINC001203866893 1133377046 /nfs/dbraw/zinc/37/70/46/1133377046.db2.gz FKVZLERKMHDNJX-UHFFFAOYSA-N 0 1 295.382 3.690 20 0 CHADMN Brc1ccc(CN2CCCC23CC3)cc1 ZINC001203906825 1133382609 /nfs/dbraw/zinc/38/26/09/1133382609.db2.gz CSDSPVIJDNDISC-UHFFFAOYSA-N 0 1 266.182 3.578 20 0 CHADMN Cc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)cc1C ZINC001203912280 1133382816 /nfs/dbraw/zinc/38/28/16/1133382816.db2.gz PPFDYSHVXVQOSF-UHFFFAOYSA-N 0 1 298.405 3.765 20 0 CHADMN COc1ccc(CN(Cc2ccco2)C2CC2)cc1C ZINC001203898731 1133382962 /nfs/dbraw/zinc/38/29/62/1133382962.db2.gz KBOFCFADCMFUGL-UHFFFAOYSA-N 0 1 271.360 3.761 20 0 CHADMN c1cc2c(o1)CCN(Cc1cccc3ccccc31)C2 ZINC001203983600 1133393051 /nfs/dbraw/zinc/39/30/51/1133393051.db2.gz XYVIMTIAUKYRSE-UHFFFAOYSA-N 0 1 263.340 3.991 20 0 CHADMN COc1ccc(CN2CCCCC23COC3)c2ccccc12 ZINC001203994042 1133395851 /nfs/dbraw/zinc/39/58/51/1133395851.db2.gz RTNUMSLDWQTHPS-UHFFFAOYSA-N 0 1 297.398 3.603 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1ccc2ccccc2c1 ZINC001203999904 1133397356 /nfs/dbraw/zinc/39/73/56/1133397356.db2.gz SAJZSZSUXURYDG-GOSISDBHSA-N 0 1 267.372 3.783 20 0 CHADMN Clc1cccc(OC2CCN(Cc3ccc[nH]3)CC2)c1 ZINC001204009774 1133399313 /nfs/dbraw/zinc/39/93/13/1133399313.db2.gz GNIXCXQMYMEYIA-UHFFFAOYSA-N 0 1 290.794 3.712 20 0 CHADMN Cc1ccc(CN2CC[C@@H](OC(=O)OC(C)(C)C)C2)s1 ZINC001204029714 1133401030 /nfs/dbraw/zinc/40/10/30/1133401030.db2.gz CNMZMZCQDQGJRS-GFCCVEGCSA-N 0 1 297.420 3.583 20 0 CHADMN CSc1ccc(CN2CC(C)(C)OC(C)(C)C2)cc1 ZINC001204141364 1133410797 /nfs/dbraw/zinc/41/07/97/1133410797.db2.gz QYZCTWLBRYUUIG-UHFFFAOYSA-N 0 1 279.449 3.798 20 0 CHADMN CN(Cc1ccc(C(F)(F)F)cc1)C1CC(F)(F)C1 ZINC001204158662 1133411563 /nfs/dbraw/zinc/41/15/63/1133411563.db2.gz GBDHRUCKNRDSAV-UHFFFAOYSA-N 0 1 279.252 3.935 20 0 CHADMN Fc1cccc(CN2CCC3(CC(F)C3)CC2)c1F ZINC001204192847 1133416531 /nfs/dbraw/zinc/41/65/31/1133416531.db2.gz CEJWVDRNLXLVOU-UHFFFAOYSA-N 0 1 269.310 3.679 20 0 CHADMN CN(CCc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC001204211152 1133419262 /nfs/dbraw/zinc/41/92/62/1133419262.db2.gz SFKKPVPXGNQJEN-UHFFFAOYSA-N 0 1 279.305 3.778 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2cn(C)c3ccccc23)no1 ZINC001204315957 1133435847 /nfs/dbraw/zinc/43/58/47/1133435847.db2.gz XBFDFYFGPNUQOD-SFHVURJKSA-N 0 1 295.386 3.812 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1ccc(OC(F)(F)F)cc1 ZINC001204413493 1133444769 /nfs/dbraw/zinc/44/47/69/1133444769.db2.gz LHGRLZTVAWVRMU-MWLCHTKSSA-N 0 1 277.261 3.518 20 0 CHADMN COCCN(Cc1ccoc1C)Cc1ccc(C)cc1C ZINC001204472796 1133451030 /nfs/dbraw/zinc/45/10/30/1133451030.db2.gz ZLRICDMCPWNYRC-UHFFFAOYSA-N 0 1 287.403 3.853 20 0 CHADMN Fc1cc(C(F)(F)F)ccc1CN1CCC[C@H]2C[C@H]21 ZINC001204471472 1133451055 /nfs/dbraw/zinc/45/10/55/1133451055.db2.gz PSCMKCZSCNJMKN-TVQRCGJNSA-N 0 1 273.273 3.829 20 0 CHADMN Cc1c(F)cccc1CN1CCC(F)(F)[C@@H](C)C1 ZINC001204506553 1133454674 /nfs/dbraw/zinc/45/46/74/1133454674.db2.gz BACQMPYHTUHVDJ-JTQLQIEISA-N 0 1 257.299 3.611 20 0 CHADMN Cc1cc(C)cc(CN2CCc3cc4c(cc3C2)OCO4)c1 ZINC001204519866 1133456423 /nfs/dbraw/zinc/45/64/23/1133456423.db2.gz PHNQMZRMUBGBPZ-UHFFFAOYSA-N 0 1 295.382 3.590 20 0 CHADMN Cc1cc(CN2CCN(Cc3ccccc3)C[C@@H]2C)oc1C ZINC001204532836 1133459183 /nfs/dbraw/zinc/45/91/83/1133459183.db2.gz GTIZKTUCZPGVNB-INIZCTEOSA-N 0 1 298.430 3.603 20 0 CHADMN CCN(Cc1[nH]cnc1C)Cc1cccc(C(F)(F)F)c1 ZINC001204595150 1133465197 /nfs/dbraw/zinc/46/51/97/1133465197.db2.gz YJZJYIWGQKLULO-UHFFFAOYSA-N 0 1 297.324 3.759 20 0 CHADMN CC[C@@H]1C[N@@H+](Cc2ccc(Cl)c(C)c2Cl)C[C@@H]1O ZINC001204640968 1133470271 /nfs/dbraw/zinc/47/02/71/1133470271.db2.gz YTFJNAWTNVIBAW-MFKMUULPSA-N 0 1 288.218 3.505 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(Cl)c(C)c2Cl)C[C@@H]1O ZINC001204640968 1133470273 /nfs/dbraw/zinc/47/02/73/1133470273.db2.gz YTFJNAWTNVIBAW-MFKMUULPSA-N 0 1 288.218 3.505 20 0 CHADMN COC(=O)CN(CC(C)C)C[C@H](c1ccccc1)C(C)C ZINC001204664452 1133473404 /nfs/dbraw/zinc/47/34/04/1133473404.db2.gz JCNWAPFOSYQCQS-KRWDZBQOSA-N 0 1 291.435 3.557 20 0 CHADMN COC[C@@H]1CCN1Cc1ccc(-c2cccc(Cl)c2)o1 ZINC001204718197 1133478706 /nfs/dbraw/zinc/47/87/06/1133478706.db2.gz YBZBDPOLCPUNCR-AWEZNQCLSA-N 0 1 291.778 3.821 20 0 CHADMN Cc1cccc2c1CCN(Cc1cnn(CC3CCC3)c1)C2 ZINC001204755382 1133481986 /nfs/dbraw/zinc/48/19/86/1133481986.db2.gz BPELIYSUIAOUCJ-UHFFFAOYSA-N 0 1 295.430 3.550 20 0 CHADMN C[C@@H]1CCc2nc(CN3CC[C@H](C)[C@H](C)C3)sc2C1 ZINC001204767994 1133483246 /nfs/dbraw/zinc/48/32/46/1133483246.db2.gz FNFWYBOHRRKXBC-FRRDWIJNSA-N 0 1 278.465 3.746 20 0 CHADMN FC(F)(F)Cc1ccc(CN2CCOCC23CCC3)cc1 ZINC001204775861 1133484005 /nfs/dbraw/zinc/48/40/05/1133484005.db2.gz IGJXCOFDTFGSTP-UHFFFAOYSA-N 0 1 299.336 3.546 20 0 CHADMN CC1(C)CN(Cc2cccc(C3CCCC3)c2)CCO1 ZINC001204880856 1133495025 /nfs/dbraw/zinc/49/50/25/1133495025.db2.gz IYBLMGYHLGXSCE-UHFFFAOYSA-N 0 1 273.420 3.955 20 0 CHADMN CN[C@H](c1nc(-c2ccc(F)c(C)c2F)no1)C(C)(C)C ZINC001204895549 1133497294 /nfs/dbraw/zinc/49/72/94/1133497294.db2.gz ULQZZPKUJKIWRA-GFCCVEGCSA-N 0 1 295.333 3.630 20 0 CHADMN CCNc1ccccc1CN1CCc2ccc(F)cc2C1 ZINC001204931506 1133502295 /nfs/dbraw/zinc/50/22/95/1133502295.db2.gz YHOHAUVTWTWJFT-UHFFFAOYSA-N 0 1 284.378 3.816 20 0 CHADMN Cc1cc(-c2ccc3[nH]nnc3c2)cc(C)c1Cl ZINC001205051983 1133519949 /nfs/dbraw/zinc/51/99/49/1133519949.db2.gz DAGWSORXSYRVDU-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN Cc1cc(-c2ccc3nn[nH]c3c2)cc(C)c1Cl ZINC001205051983 1133519955 /nfs/dbraw/zinc/51/99/55/1133519955.db2.gz DAGWSORXSYRVDU-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN COc1ccc(C[N@@H+](C)Cc2cccc(C)c2C)c(OC)c1 ZINC001205088276 1133526457 /nfs/dbraw/zinc/52/64/57/1133526457.db2.gz DZBLNQJMGUJXHL-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN COc1ccc(CN(C)Cc2cccc(C)c2C)c(OC)c1 ZINC001205088276 1133526462 /nfs/dbraw/zinc/52/64/62/1133526462.db2.gz DZBLNQJMGUJXHL-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN CCOC(=O)CN(Cc1cccc(C)c1C)C1CCCC1 ZINC001205095945 1133528455 /nfs/dbraw/zinc/52/84/55/1133528455.db2.gz PXXWZZVWZJOEHK-UHFFFAOYSA-N 0 1 289.419 3.611 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(F)c2)cc1F ZINC001205205796 1133546832 /nfs/dbraw/zinc/54/68/32/1133546832.db2.gz IKXFTBRYYACWRA-UHFFFAOYSA-N 0 1 261.315 3.905 20 0 CHADMN OCc1cc(-c2ccc3nc(C(F)(F)F)[nH]c3c2)cs1 ZINC001205290311 1133555969 /nfs/dbraw/zinc/55/59/69/1133555969.db2.gz JVCOYJZLUHPHCG-UHFFFAOYSA-N 0 1 298.289 3.803 20 0 CHADMN C[C@@H]1CCN(Cc2cc(O)cc(Cl)c2)CC1(C)C ZINC001205298417 1133557245 /nfs/dbraw/zinc/55/72/45/1133557245.db2.gz CATQFYQLBCGKKS-LLVKDONJSA-N 0 1 267.800 3.914 20 0 CHADMN CCCCCN1CCN(Cc2sccc2Cl)CC1 ZINC001205339465 1133564441 /nfs/dbraw/zinc/56/44/41/1133564441.db2.gz JPQXJUNGUMUELI-UHFFFAOYSA-N 0 1 286.872 3.709 20 0 CHADMN CCCn1cncc1CN1CC=C(c2cccc(C)c2)CC1 ZINC001205359801 1133570403 /nfs/dbraw/zinc/57/04/03/1133570403.db2.gz HDSMCKVKBHYSOY-UHFFFAOYSA-N 0 1 295.430 3.891 20 0 CHADMN FC(F)[C@H]1CCCN(Cc2ccc(C(F)(F)F)nc2)C1 ZINC001205431161 1133577215 /nfs/dbraw/zinc/57/72/15/1133577215.db2.gz WMTGCQLLKICAKG-JTQLQIEISA-N 0 1 294.267 3.578 20 0 CHADMN C[C@H]1CCCN(Cc2csc(C(F)(F)F)c2)C1 ZINC001205550867 1133587453 /nfs/dbraw/zinc/58/74/53/1133587453.db2.gz DMSOTVFVAPBLMG-VIFPVBQESA-N 0 1 263.328 3.999 20 0 CHADMN O=C1CCN(Cc2ccc3[nH]ccc3c2)[C@@H]2CCCC[C@H]12 ZINC001205563196 1133588349 /nfs/dbraw/zinc/58/83/49/1133588349.db2.gz LBMNEKSDFCEMJD-DOTOQJQBSA-N 0 1 282.387 3.502 20 0 CHADMN c1coc(CN(Cc2ccc3[nH]ccc3c2)C2CC2)c1 ZINC001205605770 1133594362 /nfs/dbraw/zinc/59/43/62/1133594362.db2.gz HIQDRRIXYCXMLJ-UHFFFAOYSA-N 0 1 266.344 3.926 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)N[C@H]3CC[C@@H]3C)n2)cc1F ZINC001205656974 1133599511 /nfs/dbraw/zinc/59/95/11/1133599511.db2.gz WCPYPHKMAOCBMR-MJVIPROJSA-N 0 1 289.354 3.633 20 0 CHADMN CC[C@H]1CCCC[C@@H]1N(C)Cc1c(Cl)c(C)nn1C ZINC001205702940 1133603334 /nfs/dbraw/zinc/60/33/34/1133603334.db2.gz RRHJFHIADXPPTH-STQMWFEESA-N 0 1 283.847 3.783 20 0 CHADMN FCCN1CCC(OCc2ccc3ccccc3c2)CC1 ZINC001205768011 1133611029 /nfs/dbraw/zinc/61/10/29/1133611029.db2.gz NNTVBQSKIRFINJ-UHFFFAOYSA-N 0 1 287.378 3.790 20 0 CHADMN CCOc1c(F)c(F)ccc1-c1cccn2cncc12 ZINC001205817654 1133617842 /nfs/dbraw/zinc/61/78/42/1133617842.db2.gz PDYVDCKNKMFYBJ-UHFFFAOYSA-N 0 1 274.270 3.678 20 0 CHADMN CSc1ccc(F)cc1-c1ccc2cncn2c1 ZINC001205968590 1133636111 /nfs/dbraw/zinc/63/61/11/1133636111.db2.gz CRZOKBWJXFNPPI-UHFFFAOYSA-N 0 1 258.321 3.862 20 0 CHADMN CNC(C)(C)c1nc(-c2cc(C(F)(F)F)ccc2C)no1 ZINC001206011008 1133641404 /nfs/dbraw/zinc/64/14/04/1133641404.db2.gz XTKBYXRPXVWNSA-UHFFFAOYSA-N 0 1 299.296 3.518 20 0 CHADMN Cc1c[nH]c2ncc(Nc3cc(C)nc4ccccc43)cc12 ZINC001206017343 1133642240 /nfs/dbraw/zinc/64/22/40/1133642240.db2.gz ZHUSAAZPAOVTEI-UHFFFAOYSA-N 0 1 288.354 3.893 20 0 CHADMN Fc1cc(-c2cccn3cncc23)cc(N2CCCC2)c1 ZINC001206131371 1133662340 /nfs/dbraw/zinc/66/23/40/1133662340.db2.gz YHICFTKOWMRWGW-UHFFFAOYSA-N 0 1 281.334 3.741 20 0 CHADMN CCCOc1ccc(-c2cccc3cncn32)c(F)c1 ZINC001206142436 1133662896 /nfs/dbraw/zinc/66/28/96/1133662896.db2.gz FZEODQJIYHCJGE-UHFFFAOYSA-N 0 1 270.307 3.929 20 0 CHADMN COc1ccc(CN2CC(Cc3ccccc3)C2)c(F)c1 ZINC001206173825 1133667024 /nfs/dbraw/zinc/66/70/24/1133667024.db2.gz BXDBGTYAYKTNJX-UHFFFAOYSA-N 0 1 285.362 3.509 20 0 CHADMN Cn1cnc(CN2CCC(CCCc3ccccc3)CC2)c1 ZINC001206199096 1133670144 /nfs/dbraw/zinc/67/01/44/1133670144.db2.gz OXNIDCRXKNJEIX-UHFFFAOYSA-N 0 1 297.446 3.655 20 0 CHADMN Cc1cc(O)cc(-c2ccc(CN(C)C)c(F)c2)c1 ZINC001206262305 1133678595 /nfs/dbraw/zinc/67/85/95/1133678595.db2.gz RMTZBLFLNMQXDR-UHFFFAOYSA-N 0 1 259.324 3.568 20 0 CHADMN COc1cnccc1CN1CCCC[C@@H]1c1ccccc1 ZINC001206437876 1133702057 /nfs/dbraw/zinc/70/20/57/1133702057.db2.gz DOBHSSULHYPCBN-QGZVFWFLSA-N 0 1 282.387 3.817 20 0 CHADMN Cc1ccnc(N[C@@H](C)[C@@H]2CCCCO2)c1C1CC1 ZINC001206590185 1133723446 /nfs/dbraw/zinc/72/34/46/1133723446.db2.gz JUMKVNOBVGBMOF-JSGCOSHPSA-N 0 1 260.381 3.637 20 0 CHADMN Cc1nsc2nc(-c3cc(F)c(O)cc3F)ccc12 ZINC001206762594 1133744746 /nfs/dbraw/zinc/74/47/46/1133744746.db2.gz ZZRAIRPMIYJBFD-UHFFFAOYSA-N 0 1 278.283 3.651 20 0 CHADMN CCc1cc2c(ncnc2-c2cc(F)c(O)cc2F)s1 ZINC001206762501 1133745080 /nfs/dbraw/zinc/74/50/80/1133745080.db2.gz ZCSCFHSZPRAHAI-UHFFFAOYSA-N 0 1 292.310 3.905 20 0 CHADMN COc1cc(C)ccc1CN(C)CCC(=O)c1ccccc1 ZINC001206770727 1133746006 /nfs/dbraw/zinc/74/60/06/1133746006.db2.gz VZODIYWQVRUKTL-UHFFFAOYSA-N 0 1 297.398 3.708 20 0 CHADMN COc1ccc(-c2cc(CN3CCCC[C@H]3C)no2)cc1 ZINC001206823742 1133752619 /nfs/dbraw/zinc/75/26/19/1133752619.db2.gz QMZRYZPAXZZULO-CYBMUJFWSA-N 0 1 286.375 3.725 20 0 CHADMN Fc1ccc(-c2cc(CN(CC3CC3)C3CC3)no2)cc1 ZINC001206838498 1133753551 /nfs/dbraw/zinc/75/35/51/1133753551.db2.gz NLOVGBSZZRGVHR-UHFFFAOYSA-N 0 1 286.350 3.855 20 0 CHADMN Cc1ccnc(CN2CCC[C@@H]2c2ccccc2F)c1 ZINC001206853772 1133756547 /nfs/dbraw/zinc/75/65/47/1133756547.db2.gz AWYNCDLTBCEHNY-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Fc1ccc(C[C@H]2CCC[N@H+]2Cc2ncccc2F)cc1 ZINC001207037304 1133760998 /nfs/dbraw/zinc/76/09/98/1133760998.db2.gz VPMSMLUVWWWWOF-OAHLLOKOSA-N 0 1 288.341 3.567 20 0 CHADMN Fc1ccc(C2CCN(Cc3ncccc3F)CC2)cc1 ZINC001207032209 1133762247 /nfs/dbraw/zinc/76/22/47/1133762247.db2.gz IGDNLQZXSQIBPA-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN CN(Cc1ncc(F)cc1F)C(C)(C)Cc1ccccc1 ZINC001207103402 1133766952 /nfs/dbraw/zinc/76/69/52/1133766952.db2.gz SJFLSLQACBNFBZ-UHFFFAOYSA-N 0 1 290.357 3.813 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2c(F)cccc2OC(F)F)C1 ZINC001207116353 1133768789 /nfs/dbraw/zinc/76/87/89/1133768789.db2.gz BNRCDTRJMIFLMK-PHIMTYICSA-N 0 1 287.325 3.905 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cccnc1C ZINC001207155406 1133772508 /nfs/dbraw/zinc/77/25/08/1133772508.db2.gz PRGLKOUSVYSADG-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN Cc1nccc(CN2CCC(Sc3ccccc3)CC2)n1 ZINC001207168259 1133773610 /nfs/dbraw/zinc/77/36/10/1133773610.db2.gz GENYOWGVUSEUEM-UHFFFAOYSA-N 0 1 299.443 3.542 20 0 CHADMN Clc1ncnc(Cl)c1CCN1CCCCCCC1 ZINC001207331711 1133791633 /nfs/dbraw/zinc/79/16/33/1133791633.db2.gz RAVKTDWZTCNZOS-UHFFFAOYSA-N 0 1 288.222 3.592 20 0 CHADMN CC[C@@H](CN1CC(O)(c2ccc(F)cc2)C1)c1ccccc1 ZINC001207432563 1133801102 /nfs/dbraw/zinc/80/11/02/1133801102.db2.gz AOHOJUCQDYSYMU-HNNXBMFYSA-N 0 1 299.389 3.523 20 0 CHADMN C[C@H]1c2cccn2CCN1CCCc1ccccc1F ZINC001207494312 1133808560 /nfs/dbraw/zinc/80/85/60/1133808560.db2.gz BURANTCDXFMJKD-AWEZNQCLSA-N 0 1 272.367 3.637 20 0 CHADMN O=C1CCN(CCCc2ccccc2F)[C@H]2CCCC[C@H]12 ZINC001207490617 1133808741 /nfs/dbraw/zinc/80/87/41/1133808741.db2.gz VCHOUJZYIFVDMD-RDJZCZTQSA-N 0 1 289.394 3.592 20 0 CHADMN O=C1CCN(CCCc2cccc(F)c2)[C@H]2CCCC[C@H]12 ZINC001207599270 1133825886 /nfs/dbraw/zinc/82/58/86/1133825886.db2.gz DVQMETQQTYTSRQ-IRXDYDNUSA-N 0 1 289.394 3.592 20 0 CHADMN O=C1CCN(CC2(c3ccccc3)CC2)[C@@H]2CCCC[C@H]12 ZINC001207831172 1133850552 /nfs/dbraw/zinc/85/05/52/1133850552.db2.gz OWCZUDASIVZALK-DLBZAZTESA-N 0 1 283.415 3.552 20 0 CHADMN O=C1CCN(CC2(c3ccccc3)CC2)[C@H]2CCCC[C@@H]12 ZINC001207831179 1133850729 /nfs/dbraw/zinc/85/07/29/1133850729.db2.gz OWCZUDASIVZALK-SJORKVTESA-N 0 1 283.415 3.552 20 0 CHADMN Cc1ccc(Oc2nc(Cl)nc3nc[nH]c32)c(Cl)c1 ZINC000165419760 1133855362 /nfs/dbraw/zinc/85/53/62/1133855362.db2.gz SRVBIGKEXWUKPK-UHFFFAOYSA-N 0 1 295.129 3.760 20 0 CHADMN C[C@H](CN1CC(Oc2ccccc2)C1)c1ccccc1 ZINC001207910573 1133862435 /nfs/dbraw/zinc/86/24/35/1133862435.db2.gz UXEQRJUJDWHOCV-OAHLLOKOSA-N 0 1 267.372 3.553 20 0 CHADMN C[C@H](Cc1ccc(C(C)(C)C)cc1)CN1CC2(CCO2)C1 ZINC001207918672 1133863156 /nfs/dbraw/zinc/86/31/56/1133863156.db2.gz WQDZETGDWAVFSL-OAHLLOKOSA-N 0 1 287.447 3.637 20 0 CHADMN COC(=O)c1ccc2c(c1)CN(CCCC1CCCC1)C2 ZINC001208094664 1133876871 /nfs/dbraw/zinc/87/68/71/1133876871.db2.gz OQIPSAQGZMZSJM-UHFFFAOYSA-N 0 1 287.403 3.759 20 0 CHADMN CN(CCc1c(F)cccc1F)Cc1ccc(F)cc1F ZINC001208116401 1133878259 /nfs/dbraw/zinc/87/82/59/1133878259.db2.gz BBRNTQHIRLFDLX-UHFFFAOYSA-N 0 1 297.295 3.918 20 0 CHADMN Cc1ccc([C@H](C)CCN2CCC(=O)[C@H]3CCCC[C@@H]32)o1 ZINC001208150211 1133885937 /nfs/dbraw/zinc/88/59/37/1133885937.db2.gz DPOAUGVHIGPHTM-KBMXLJTQSA-N 0 1 289.419 3.915 20 0 CHADMN CS[C@H](C)CCN(CC(=O)c1ccccc1)C(C)C ZINC001208155554 1133889090 /nfs/dbraw/zinc/88/90/90/1133889090.db2.gz ROQJEMZSMMZXJC-CQSZACIVSA-N 0 1 279.449 3.721 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)OC)N(C)CC[C@@H](C)c1ccc(C)o1 ZINC001208164657 1133890253 /nfs/dbraw/zinc/89/02/53/1133890253.db2.gz ALBAFOIFYWKOQN-ZENOOKHLSA-N 0 1 295.423 3.601 20 0 CHADMN Fc1cccc(CCN2CCOC[C@@H]2C2CCCCC2)c1 ZINC001208202735 1133907846 /nfs/dbraw/zinc/90/78/46/1133907846.db2.gz ZPHGNYCRBVQYQA-GOSISDBHSA-N 0 1 291.410 3.649 20 0 CHADMN CC(C)(CCN1CC2(C1)CCCCO2)c1ccccc1 ZINC001208665701 1133923474 /nfs/dbraw/zinc/92/34/74/1133923474.db2.gz HTMUFEJPOJMFNN-UHFFFAOYSA-N 0 1 273.420 3.609 20 0 CHADMN CC(C)(C)c1cccc(Nc2ccnc(CO)c2)c1 ZINC001208684187 1133927619 /nfs/dbraw/zinc/92/76/19/1133927619.db2.gz JOZILQWNFLXWPY-UHFFFAOYSA-N 0 1 256.349 3.615 20 0 CHADMN C[C@@H](CN1CCc2ccc(F)cc2C1)OCc1ccccc1 ZINC001208702383 1133931669 /nfs/dbraw/zinc/93/16/69/1133931669.db2.gz LPEBUTZCLUOYDY-HNNXBMFYSA-N 0 1 299.389 3.789 20 0 CHADMN C[C@H](CN1CC2(C1)CCCO2)c1cccc2ccccc21 ZINC001208707831 1133932504 /nfs/dbraw/zinc/93/25/04/1133932504.db2.gz UJJNSVIORCVCDH-OAHLLOKOSA-N 0 1 281.399 3.808 20 0 CHADMN C[C@H](CN1CCC(=O)C[C@H]1C)c1cccc2ccccc21 ZINC001208705682 1133933658 /nfs/dbraw/zinc/93/36/58/1133933658.db2.gz JYQYTRHAPNQPRM-HUUCEWRRSA-N 0 1 281.399 3.997 20 0 CHADMN C[C@H](CN1CCOCC12CC2)c1cccc2ccccc21 ZINC001208709768 1133934360 /nfs/dbraw/zinc/93/43/60/1133934360.db2.gz OADZYNGEOBCPOL-OAHLLOKOSA-N 0 1 281.399 3.808 20 0 CHADMN C[C@@]1(F)CCN(CCCc2ccc(F)cc2)C[C@H]1F ZINC001208769371 1133940806 /nfs/dbraw/zinc/94/08/06/1133940806.db2.gz WGXHQTVVHNBGHR-HUUCEWRRSA-N 0 1 271.326 3.530 20 0 CHADMN F[C@H]1CSC2(CN(CCCc3ccccc3Cl)C2)C1 ZINC001208875544 1133957164 /nfs/dbraw/zinc/95/71/64/1133957164.db2.gz YGZCSQNKHKFXLC-CYBMUJFWSA-N 0 1 299.842 3.802 20 0 CHADMN C[C@@H](CN(C)C/C=C/c1ccccc1)C(F)(F)F ZINC001208905404 1133959628 /nfs/dbraw/zinc/95/96/28/1133959628.db2.gz NXGXQNKGAJNJAE-LZGFCCKTSA-N 0 1 257.299 3.830 20 0 CHADMN Clc1cccnc1NC1=CCN(c2ccccc2)CC1 ZINC001209009209 1133968631 /nfs/dbraw/zinc/96/86/31/1133968631.db2.gz JEQCYSPLPDPXMB-UHFFFAOYSA-N 0 1 285.778 3.941 20 0 CHADMN Clc1cccc(Cl)c1CCN1CC2CC(C2)C1 ZINC001209108377 1133975194 /nfs/dbraw/zinc/97/51/94/1133975194.db2.gz HCDVLLXUYPLLFT-UHFFFAOYSA-N 0 1 270.203 3.878 20 0 CHADMN CO[C@H](C)C1CN(CCc2c(Cl)cccc2Cl)C1 ZINC001209108912 1133976132 /nfs/dbraw/zinc/97/61/32/1133976132.db2.gz XOEVRIFQCZFEJA-SNVBAGLBSA-N 0 1 288.218 3.503 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(CCc1cccc(C(F)(F)F)c1)C2 ZINC001209117618 1133976874 /nfs/dbraw/zinc/97/68/74/1133976874.db2.gz AGMDOHWOXUEQKL-GJZGRUSLSA-N 0 1 299.336 3.501 20 0 CHADMN F[C@@H]1CN(CCc2ccc(C(F)(F)F)cc2)C[C@@H]2C[C@@H]21 ZINC001209121752 1133977350 /nfs/dbraw/zinc/97/73/50/1133977350.db2.gz CCXFKRXYVKLDOB-FPMFFAJLSA-N 0 1 287.300 3.538 20 0 CHADMN C[C@H]1CN(CCc2ccc(C(F)(F)F)cc2)CCCC1=O ZINC001209123854 1133979385 /nfs/dbraw/zinc/97/93/85/1133979385.db2.gz KKPLPXRURVRXLC-LBPRGKRZSA-N 0 1 299.336 3.549 20 0 CHADMN CCc1cncc(Nc2cc(C)nc3ccccc32)c1 ZINC001209165485 1133984134 /nfs/dbraw/zinc/98/41/34/1133984134.db2.gz OJVKDSCTXMALAB-UHFFFAOYSA-N 0 1 263.344 3.666 20 0 CHADMN Cc1cccc2c1CN(CCc1ccc(F)c(F)c1)C2 ZINC001209239025 1133993916 /nfs/dbraw/zinc/99/39/16/1133993916.db2.gz CZBCJYZFQVRMFG-UHFFFAOYSA-N 0 1 273.326 3.832 20 0 CHADMN C[C@]1(F)CC[N@@H+](CCCCOCc2ccccc2)C[C@@H]1F ZINC001209253453 1133996476 /nfs/dbraw/zinc/99/64/76/1133996476.db2.gz KNDNRIRNNNHWPZ-IRXDYDNUSA-N 0 1 297.389 3.755 20 0 CHADMN C[C@]1(F)CCN(CCCCOCc2ccccc2)C[C@@H]1F ZINC001209253453 1133996482 /nfs/dbraw/zinc/99/64/82/1133996482.db2.gz KNDNRIRNNNHWPZ-IRXDYDNUSA-N 0 1 297.389 3.755 20 0 CHADMN Fc1ccc2c(c1)CN(CCc1ccc(F)c(F)c1)CC2 ZINC001209244422 1133997007 /nfs/dbraw/zinc/99/70/07/1133997007.db2.gz UXTVIIAODHJXJT-UHFFFAOYSA-N 0 1 291.316 3.705 20 0 CHADMN CN(CCc1cc(F)c(F)cc1F)Cc1ccccc1F ZINC001209255630 1133998014 /nfs/dbraw/zinc/99/80/14/1133998014.db2.gz RRPUWZXKQIQHFS-UHFFFAOYSA-N 0 1 297.295 3.918 20 0 CHADMN C[C@@H]1C[C@@H]1CN1Cc2ccc(Br)cc2C[C@@H]1C ZINC001209428846 1134017355 /nfs/dbraw/zinc/01/73/55/1134017355.db2.gz TZXJEXOBHZUKKR-UHIISALHSA-N 0 1 294.236 3.852 20 0 CHADMN Cc1nc2c(s1)CN(Cc1c[nH]c3c1cccc3C)CC2 ZINC001209488568 1134027868 /nfs/dbraw/zinc/02/78/68/1134027868.db2.gz XTMCSLCXNLGINN-UHFFFAOYSA-N 0 1 297.427 3.800 20 0 CHADMN C[C@@H]1CN(Cc2cc3c(cn2)OCCC3)Cc2ccccc21 ZINC001209500372 1134029184 /nfs/dbraw/zinc/02/91/84/1134029184.db2.gz UGFFYKHSVBRYOC-CQSZACIVSA-N 0 1 294.398 3.526 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc2[nH]cc(Cl)c21 ZINC001209655968 1134046313 /nfs/dbraw/zinc/04/63/13/1134046313.db2.gz LPBNGCJNHJMFDZ-TXEJJXNPSA-N 0 1 288.778 3.517 20 0 CHADMN Cc1nc2ccccn2c1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC001209651455 1134047532 /nfs/dbraw/zinc/04/75/32/1134047532.db2.gz VYVBYYZGJHAQEZ-HOTGVXAUSA-N 0 1 283.419 3.797 20 0 CHADMN CC(C)[C@H]1COCCN1Cc1cccc2[nH]cc(Cl)c21 ZINC001209659573 1134049676 /nfs/dbraw/zinc/04/96/76/1134049676.db2.gz PCNDFTSRUMXEDW-OAHLLOKOSA-N 0 1 292.810 3.678 20 0 CHADMN Cc1cccn2cc(CN3CCC34CCCCC4)nc12 ZINC001209736981 1134055359 /nfs/dbraw/zinc/05/53/59/1134055359.db2.gz ZGHREMWWCNNPGT-UHFFFAOYSA-N 0 1 269.392 3.551 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1n[nH]c2ccc(Cl)cc21 ZINC001209750579 1134056724 /nfs/dbraw/zinc/05/67/24/1134056724.db2.gz JIVYBEXQICKNKM-QWRGUYRKSA-N 0 1 277.799 3.979 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1[nH]nc2ccc(Cl)cc21 ZINC001209750579 1134056732 /nfs/dbraw/zinc/05/67/32/1134056732.db2.gz JIVYBEXQICKNKM-QWRGUYRKSA-N 0 1 277.799 3.979 20 0 CHADMN c1nc2ccc(Nc3cnc4ccccc4c3)cc2[nH]1 ZINC001209841172 1134078345 /nfs/dbraw/zinc/07/83/45/1134078345.db2.gz FMXVQXQTFNAAJT-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN FC(F)c1ccc(Nc2ccc3nc[nH]c3c2)cn1 ZINC001209844389 1134079614 /nfs/dbraw/zinc/07/96/14/1134079614.db2.gz MIGAMPGIMDTWSE-UHFFFAOYSA-N 0 1 260.247 3.639 20 0 CHADMN C[C@H]1CCc2cc(N)ccc2N1c1ccc2nc[nH]c2c1 ZINC001209847869 1134079979 /nfs/dbraw/zinc/07/99/79/1134079979.db2.gz GBPYFBUBHWVOIS-NSHDSACASA-N 0 1 278.359 3.618 20 0 CHADMN Cc1cc(=O)[nH]c2cc(Nc3ccc4nc[nH]c4c3)ccc12 ZINC001209847665 1134080134 /nfs/dbraw/zinc/08/01/34/1134080134.db2.gz DHNOQCMHCZJKNB-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN CCOC(=O)c1ccc(F)c(Nc2ccc3nc[nH]c3c2)c1 ZINC001209847555 1134080533 /nfs/dbraw/zinc/08/05/33/1134080533.db2.gz SBSTZIIYBIWUOJ-UHFFFAOYSA-N 0 1 299.305 3.622 20 0 CHADMN COc1cc2cccnc2c(Nc2ccc3nc[nH]c3c2)c1 ZINC001209847485 1134080545 /nfs/dbraw/zinc/08/05/45/1134080545.db2.gz QXVYPXQWGZMKBT-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN CC(=O)Nc1cc(Nc2ccc3nc[nH]c3c2)ccc1C ZINC001209846606 1134082168 /nfs/dbraw/zinc/08/21/68/1134082168.db2.gz HMBBXGJELQYAJV-UHFFFAOYSA-N 0 1 280.331 3.573 20 0 CHADMN Oc1cc(Cl)cc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209849285 1134083118 /nfs/dbraw/zinc/08/31/18/1134083118.db2.gz WBAVYUQHTHAIDH-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN CC(=O)c1ccc(F)c(Nc2ccc3nc[nH]c3c2)c1 ZINC001209849415 1134083343 /nfs/dbraw/zinc/08/33/43/1134083343.db2.gz ZHKQFXZUIXWRFE-UHFFFAOYSA-N 0 1 269.279 3.648 20 0 CHADMN c1nc2ccc(Nc3ncccc3N3CCCCC3)cc2[nH]1 ZINC001209849347 1134084469 /nfs/dbraw/zinc/08/44/69/1134084469.db2.gz XKXACRRNSMXYAX-UHFFFAOYSA-N 0 1 293.374 3.692 20 0 CHADMN Cc1cccc(-n2nccc2Nc2ccc3nc[nH]c3c2)c1 ZINC001209849428 1134085154 /nfs/dbraw/zinc/08/51/54/1134085154.db2.gz YYBBCZOYBAZSQL-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1noc(-c2ccc(Nc3ccc4nc[nH]c4c3)cc2)n1 ZINC001209848946 1134085308 /nfs/dbraw/zinc/08/53/08/1134085308.db2.gz QEVBUTHPQXUHHE-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Cc1c(O)ccc(Nc2ccc3nc[nH]c3c2)c1C ZINC001209849322 1134085348 /nfs/dbraw/zinc/08/53/48/1134085348.db2.gz XAMJNQHZFSCNIP-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1cc(O)cc(C)c1Nc1ccc2nc[nH]c2c1 ZINC001209848587 1134085555 /nfs/dbraw/zinc/08/55/55/1134085555.db2.gz LNLBUHLRLOOLNS-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Nc1cc(F)cc(Cl)c1Nc1ccc2nc[nH]c2c1 ZINC001209851645 1134087209 /nfs/dbraw/zinc/08/72/09/1134087209.db2.gz LSOMKOWENZVNSJ-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN COc1ccc(F)c(Nc2cnc(N)cc2C)c1Cl ZINC001209970528 1134112417 /nfs/dbraw/zinc/11/24/17/1134112417.db2.gz WMRJPSPSBISRDN-UHFFFAOYSA-N 0 1 281.718 3.517 20 0 CHADMN Cc1ccc(Nc2cnc(N)cc2C)c(Br)c1 ZINC001209966885 1134111032 /nfs/dbraw/zinc/11/10/32/1134111032.db2.gz IBFAOWJBAZVHPU-UHFFFAOYSA-N 0 1 292.180 3.787 20 0 CHADMN Cc1cc(N)ncc1Nc1cc2cccc(F)c2nc1C ZINC001209968418 1134111389 /nfs/dbraw/zinc/11/13/89/1134111389.db2.gz ZHHHCFMAGBKICJ-UHFFFAOYSA-N 0 1 282.322 3.712 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(-n2cccc2)cc1 ZINC001209965981 1134111462 /nfs/dbraw/zinc/11/14/62/1134111462.db2.gz LPURSBBRWLZHPX-UHFFFAOYSA-N 0 1 264.332 3.507 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(F)c(Br)c1 ZINC001209967723 1134111473 /nfs/dbraw/zinc/11/14/73/1134111473.db2.gz RCHBCLTXDCQLGF-UHFFFAOYSA-N 0 1 296.143 3.617 20 0 CHADMN COc1ccc(C(F)(F)F)cc1Nc1cnc(N)cc1C ZINC001209965740 1134111798 /nfs/dbraw/zinc/11/17/98/1134111798.db2.gz GZZFANKXGPFNTJ-UHFFFAOYSA-N 0 1 297.280 3.743 20 0 CHADMN Cc1ccc2c(cccc2Nc2cnc(N)cc2C)n1 ZINC001209969057 1134112269 /nfs/dbraw/zinc/11/22/69/1134112269.db2.gz JMYLQNOTNGYFAW-UHFFFAOYSA-N 0 1 264.332 3.572 20 0 CHADMN Cc1cccc(Nc2cnc(N)cc2C)c1Br ZINC001209969259 1134112341 /nfs/dbraw/zinc/11/23/41/1134112341.db2.gz JUGCNJXRFXPMBS-UHFFFAOYSA-N 0 1 292.180 3.787 20 0 CHADMN COc1c(Nc2cnc(N)cc2C)cccc1C(F)(F)F ZINC001209970044 1134112815 /nfs/dbraw/zinc/11/28/15/1134112815.db2.gz RHFHZXXKMWTTTI-UHFFFAOYSA-N 0 1 297.280 3.743 20 0 CHADMN CCN(CC)c1ccc(Nc2cnc(N)cc2C)c(C)c1 ZINC001209969121 1134112980 /nfs/dbraw/zinc/11/29/80/1134112980.db2.gz FXWXLWDJWQIBAY-UHFFFAOYSA-N 0 1 284.407 3.870 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cnc2c(ccn2C)c1 ZINC001210100687 1134145640 /nfs/dbraw/zinc/14/56/40/1134145640.db2.gz YURIHYRMRNIJLV-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(Cl)nc1 ZINC001210100439 1134145847 /nfs/dbraw/zinc/14/58/47/1134145847.db2.gz NYGHSXFXRHSURV-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1nccnc1C(C)C ZINC001210102273 1134147249 /nfs/dbraw/zinc/14/72/49/1134147249.db2.gz OOPVCNFESHGPKB-UHFFFAOYSA-N 0 1 267.336 3.528 20 0 CHADMN Cc1cc2[nH]ncc2cc1N1c2ccc(N)cc2CC[C@@H]1C ZINC001210101519 1134147256 /nfs/dbraw/zinc/14/72/56/1134147256.db2.gz HADRVCUEEOTRLT-LBPRGKRZSA-N 0 1 292.386 3.926 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(Cl)cc(CO)c1 ZINC001210104988 1134147608 /nfs/dbraw/zinc/14/76/08/1134147608.db2.gz HDHIRNMAQFTHCH-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN COc1c(F)cc(Nc2cc3cn[nH]c3cc2C)cc1F ZINC001210105194 1134147910 /nfs/dbraw/zinc/14/79/10/1134147910.db2.gz PSTVBWWNKHOMIM-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN CC(=O)Nc1ccccc1Nc1cc2cn[nH]c2cc1C ZINC001210103537 1134148022 /nfs/dbraw/zinc/14/80/22/1134148022.db2.gz WOSNYRYRKUIIKK-UHFFFAOYSA-N 0 1 280.331 3.573 20 0 CHADMN COc1cccc(F)c1Nc1cc2cn[nH]c2cc1C ZINC001210105116 1134148121 /nfs/dbraw/zinc/14/81/21/1134148121.db2.gz LPHLFHWUHUXBRH-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1cc2[nH]ncc2cc1N1CCCc2cccc(N)c21 ZINC001210106111 1134148992 /nfs/dbraw/zinc/14/89/92/1134148992.db2.gz OQDCJLJUEITHOV-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN Nc1nc2ccccc2n1-c1cc(Cl)c(F)cc1F ZINC001210110335 1134150649 /nfs/dbraw/zinc/15/06/49/1134150649.db2.gz YKEBQBDIAPWYCT-UHFFFAOYSA-N 0 1 279.677 3.539 20 0 CHADMN O=C([O-])c1cccc(Nc2ccc3c[nH+]ccc3c2)c1F ZINC001210241120 1134176389 /nfs/dbraw/zinc/17/63/89/1134176389.db2.gz RJMMKFLSTATYTP-UHFFFAOYSA-N 0 1 282.274 3.816 20 0 CHADMN Cc1cnc(NCc2ccc(C(C)C)cc2)c(N)c1 ZINC000090691133 1134210412 /nfs/dbraw/zinc/21/04/12/1134210412.db2.gz BVTWAXGIXODHDL-UHFFFAOYSA-N 0 1 255.365 3.708 20 0 CHADMN Cc1ncn(-c2cc(Cl)c(Cl)cc2Cl)c1N ZINC001210829162 1134306136 /nfs/dbraw/zinc/30/61/36/1134306136.db2.gz NWGWFNHQQZUCSQ-UHFFFAOYSA-N 0 1 276.554 3.723 20 0 CHADMN CCc1nnc(Nc2cc(Cl)c(O)c(Cl)c2)s1 ZINC001210923217 1134328334 /nfs/dbraw/zinc/32/83/34/1134328334.db2.gz NKQJOQMWZAJFJP-UHFFFAOYSA-N 0 1 290.175 3.857 20 0 CHADMN Cc1nccnc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210924941 1134329225 /nfs/dbraw/zinc/32/92/25/1134329225.db2.gz YOPIWFBCHSIAKT-UHFFFAOYSA-N 0 1 270.119 3.541 20 0 CHADMN Nc1nc2ccccc2n1-c1ccccc1N1CCCCC1 ZINC001210960562 1134340599 /nfs/dbraw/zinc/34/05/99/1134340599.db2.gz DUUIUQCXVQDOHX-UHFFFAOYSA-N 0 1 292.386 3.598 20 0 CHADMN COC(=O)c1nc2cc(N=C(C)c3ccccc3)ccc2o1 ZINC001210987300 1134342693 /nfs/dbraw/zinc/34/26/93/1134342693.db2.gz LYXBWHSAQNMCDQ-UHFFFAOYSA-N 0 1 294.310 3.697 20 0 CHADMN CC(=O)Nc1ccccc1N=C(C)c1ccccc1 ZINC001210987241 1134342788 /nfs/dbraw/zinc/34/27/88/1134342788.db2.gz JPEDZNBXBYKYKV-UHFFFAOYSA-N 0 1 252.317 3.728 20 0 CHADMN CC(=Nc1ccc2nc(C3CC3)nn2c1)c1ccccc1 ZINC001210985200 1134342855 /nfs/dbraw/zinc/34/28/55/1134342855.db2.gz KNPWJDUSLAKCGB-UHFFFAOYSA-N 0 1 276.343 3.690 20 0 CHADMN Cn1cncc1Nc1cc2ccccc2nc1C(F)(F)F ZINC001211247423 1134398264 /nfs/dbraw/zinc/39/82/64/1134398264.db2.gz ZSSMTZYOIVYMJP-UHFFFAOYSA-N 0 1 292.264 3.731 20 0 CHADMN Cn1cncc1Nc1cc(-c2ccc(Cl)s2)on1 ZINC001211248966 1134398798 /nfs/dbraw/zinc/39/87/98/1134398798.db2.gz UYQDQTQAOWIGHI-UHFFFAOYSA-N 0 1 280.740 3.534 20 0 CHADMN Cc1cc(Nc2cncn2C)cc(C)c1Br ZINC001211249086 1134399143 /nfs/dbraw/zinc/39/91/43/1134399143.db2.gz ITDAWDGHVSRTNO-UHFFFAOYSA-N 0 1 280.169 3.543 20 0 CHADMN Cn1cncc1Nc1ccc(-c2ccsc2)cc1 ZINC001211252452 1134400100 /nfs/dbraw/zinc/40/01/00/1134400100.db2.gz NNJYDDWOKGJQMW-UHFFFAOYSA-N 0 1 255.346 3.892 20 0 CHADMN C[C@H]1CC(C)(C)c2cccc(Nc3cncn3C)c21 ZINC001211252069 1134400180 /nfs/dbraw/zinc/40/01/80/1134400180.db2.gz XYDMVYRZQOLTBR-NSHDSACASA-N 0 1 255.365 3.949 20 0 CHADMN Oc1cc(F)c(-c2ccc(F)c(F)c2F)cc1F ZINC001211349812 1134411807 /nfs/dbraw/zinc/41/18/07/1134411807.db2.gz HEOYCDINNVZXIO-UHFFFAOYSA-N 0 1 260.161 3.755 20 0 CHADMN Cc1nc2cc(Nc3cc(F)ccc3F)ccc2[nH]1 ZINC001213073587 1134420336 /nfs/dbraw/zinc/42/03/36/1134420336.db2.gz RWOIOYRGSSTXDE-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1nc2ccc(Nc3cc(F)ccc3F)cc2[nH]1 ZINC001213073587 1134420343 /nfs/dbraw/zinc/42/03/43/1134420343.db2.gz RWOIOYRGSSTXDE-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1nc2cc(Nc3ccc4c(cnn4C)c3)ccc2[nH]1 ZINC001213073162 1134420354 /nfs/dbraw/zinc/42/03/54/1134420354.db2.gz HFOUFLBNEKXPLH-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1nc2ccc(Nc3cnc4ccccc4n3)cc2[nH]1 ZINC001213072228 1134420455 /nfs/dbraw/zinc/42/04/55/1134420455.db2.gz JCNFSZBBWDARHB-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1nc2cc(Nc3ccc(F)cc3F)ccc2[nH]1 ZINC001213073108 1134420509 /nfs/dbraw/zinc/42/05/09/1134420509.db2.gz DXDQUKYEXQBXRU-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1nc2ccc(Nc3ccc(F)cc3F)cc2[nH]1 ZINC001213073108 1134420514 /nfs/dbraw/zinc/42/05/14/1134420514.db2.gz DXDQUKYEXQBXRU-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1nc2ccc(Nc3ccnn3CC3CCC3)cc2[nH]1 ZINC001213073198 1134420598 /nfs/dbraw/zinc/42/05/98/1134420598.db2.gz IVCYMSUCJAHFSR-UHFFFAOYSA-N 0 1 281.363 3.612 20 0 CHADMN Cc1nc2cc(Nc3ccccc3[C@@H](C)O)ccc2[nH]1 ZINC001213076057 1134422765 /nfs/dbraw/zinc/42/27/65/1134422765.db2.gz CKSNCTGSJTWNJX-SNVBAGLBSA-N 0 1 267.332 3.668 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1c(F)cccc1C1CC1 ZINC001213445896 1134448804 /nfs/dbraw/zinc/44/88/04/1134448804.db2.gz UHVMKKUUGJPHAG-UHFFFAOYSA-N 0 1 281.334 3.933 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)CN2CCC[C@@H](C)C2)cc1 ZINC000301493182 1134478074 /nfs/dbraw/zinc/47/80/74/1134478074.db2.gz XOFZLWWCUBTXQJ-CABCVRRESA-N 0 1 288.435 3.871 20 0 CHADMN OCc1cc(Nc2c(F)cc(Cl)cc2Cl)ccn1 ZINC001214549797 1134549768 /nfs/dbraw/zinc/54/97/68/1134549768.db2.gz QEXFWYOMZHTRGX-UHFFFAOYSA-N 0 1 287.121 3.763 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccn3nccc3c2)c1F ZINC001214795867 1134573950 /nfs/dbraw/zinc/57/39/50/1134573950.db2.gz ALNBWAZJDSEHJF-UHFFFAOYSA-N 0 1 277.686 3.576 20 0 CHADMN Oc1ccc(Nc2ccc(Cl)c(O)c2F)c(F)c1F ZINC001214798926 1134573962 /nfs/dbraw/zinc/57/39/62/1134573962.db2.gz BTEVJPCGGDIXRG-UHFFFAOYSA-N 0 1 289.640 3.912 20 0 CHADMN Oc1c(Cl)ccc(Nc2cccc3cnncc32)c1F ZINC001214801154 1134574732 /nfs/dbraw/zinc/57/47/32/1134574732.db2.gz AXMCIWTWKUUKDI-UHFFFAOYSA-N 0 1 289.697 3.872 20 0 CHADMN CCc1ncsc1Nc1ccc(Cl)c(O)c1F ZINC001214798618 1134574759 /nfs/dbraw/zinc/57/47/59/1134574759.db2.gz XVUJNBYOAZGYPF-UHFFFAOYSA-N 0 1 272.732 3.947 20 0 CHADMN CC(=O)Nc1ccccc1Nc1ccc(Cl)c(O)c1F ZINC001214801506 1134574977 /nfs/dbraw/zinc/57/49/77/1134574977.db2.gz NATZRSDKWOOSPE-UHFFFAOYSA-N 0 1 294.713 3.887 20 0 CHADMN Nc1ccc2c(c1)N(c1ccc(Cl)c(O)c1F)CCC2 ZINC001214803919 1134575700 /nfs/dbraw/zinc/57/57/00/1134575700.db2.gz KMQCNRBBXPQBQI-UHFFFAOYSA-N 0 1 292.741 3.851 20 0 CHADMN Cc1c(F)ccc(N)c1Nc1ccc(Cl)c(O)c1F ZINC001214807293 1134576414 /nfs/dbraw/zinc/57/64/14/1134576414.db2.gz XZEOHZRMEGJOQP-UHFFFAOYSA-N 0 1 284.693 3.958 20 0 CHADMN CN1CCc2cc(Nc3ccc(Cl)c(O)c3F)ccc21 ZINC001214806914 1134576694 /nfs/dbraw/zinc/57/66/94/1134576694.db2.gz OSUNBOXAKYDKPB-UHFFFAOYSA-N 0 1 292.741 3.921 20 0 CHADMN CCc1ccc(-c2noc(-c3[nH]nc(C4CC4)c3F)n2)cc1 ZINC001214932642 1134581825 /nfs/dbraw/zinc/58/18/25/1134581825.db2.gz MMCNYRABWAJPHA-UHFFFAOYSA-N 0 1 298.321 3.706 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(CO)c(C)c1C ZINC001215240644 1134609377 /nfs/dbraw/zinc/60/93/77/1134609377.db2.gz IPCNXGSAECPJFD-UHFFFAOYSA-N 0 1 299.349 3.635 20 0 CHADMN CSc1cccc(N[C@H]2CCCc3[nH]ncc32)c1 ZINC000401601358 1134617806 /nfs/dbraw/zinc/61/78/06/1134617806.db2.gz FAIPBGPTUFVWEQ-ZDUSSCGKSA-N 0 1 259.378 3.621 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cc(C)nc(Cl)c1 ZINC000401908128 1134625876 /nfs/dbraw/zinc/62/58/76/1134625876.db2.gz VBGARPHDDHIOJB-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CC(C)Oc1cc(-n2c(N)nc3ccccc32)ccc1F ZINC001215495704 1134633841 /nfs/dbraw/zinc/63/38/41/1134633841.db2.gz DDVSLBOJGMYUTF-UHFFFAOYSA-N 0 1 285.322 3.534 20 0 CHADMN Fc1cc(Nc2cc3[nH]ncc3c(F)c2)c(Cl)c(F)n1 ZINC001215553700 1134639915 /nfs/dbraw/zinc/63/99/15/1134639915.db2.gz CLSQRLCWGONHIT-UHFFFAOYSA-N 0 1 298.655 3.772 20 0 CHADMN Fc1cc(Nc2c(Cl)cncc2Cl)cc2[nH]ncc21 ZINC001215551959 1134640071 /nfs/dbraw/zinc/64/00/71/1134640071.db2.gz CUDBCANBJOGLQC-UHFFFAOYSA-N 0 1 297.120 3.569 20 0 CHADMN CCn1cc2cc(Nc3cc4[nH]ncc4c(F)c3)ccc2n1 ZINC001215555078 1134640355 /nfs/dbraw/zinc/64/03/55/1134640355.db2.gz AZWOQQCJSOSJOR-UHFFFAOYSA-N 0 1 295.321 3.815 20 0 CHADMN Nc1cc(F)c(Cl)cc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555222 1134640412 /nfs/dbraw/zinc/64/04/12/1134640412.db2.gz QSXDNNKKRMPCKD-UHFFFAOYSA-N 0 1 294.692 3.820 20 0 CHADMN Cc1cc(C)c(N)c(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215555776 1134641372 /nfs/dbraw/zinc/64/13/72/1134641372.db2.gz PBBJWRVOXXWQKJ-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN OCc1cc(Nc2cc3[nH]ncc3c(F)c2)ccc1Cl ZINC001215556620 1134642106 /nfs/dbraw/zinc/64/21/06/1134642106.db2.gz JUQLKHDNZZISFF-UHFFFAOYSA-N 0 1 291.713 3.591 20 0 CHADMN COCc1ccc(Nc2cc3[nH]ncc3c(F)c2)cc1F ZINC001215556409 1134642543 /nfs/dbraw/zinc/64/25/43/1134642543.db2.gz DZUQTLPUVGUCFC-UHFFFAOYSA-N 0 1 289.285 3.731 20 0 CHADMN COc1c(F)c(C)ccc1Nc1nnc(-c2ccco2)o1 ZINC001215600286 1134651232 /nfs/dbraw/zinc/65/12/32/1134651232.db2.gz WNSPCSSCPOLDTO-UHFFFAOYSA-N 0 1 289.266 3.529 20 0 CHADMN Cc1cc(Nc2cccc(CN3CCCCC3)c2F)on1 ZINC001215676376 1134659264 /nfs/dbraw/zinc/65/92/64/1134659264.db2.gz WCDNQUVKCYLVQB-UHFFFAOYSA-N 0 1 289.354 3.852 20 0 CHADMN Cc1ccc(Nc2ncc3ccccc3n2)c2cn[nH]c21 ZINC001215754603 1134673370 /nfs/dbraw/zinc/67/33/70/1134673370.db2.gz YKRYLYXMBFQSRI-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1cc(Nc2ccc(C)c3[nH]ncc32)n(C(C)(C)C)n1 ZINC001215754615 1134673705 /nfs/dbraw/zinc/67/37/05/1134673705.db2.gz ZESRILHMXRSTBB-UHFFFAOYSA-N 0 1 283.379 3.875 20 0 CHADMN Cc1ccc(Nc2c(Cl)cncc2Cl)c2cn[nH]c21 ZINC001215754623 1134673777 /nfs/dbraw/zinc/67/37/77/1134673777.db2.gz ZRZMAMVDQYAJRE-UHFFFAOYSA-N 0 1 293.157 3.739 20 0 CHADMN Cc1cc(Nc2ccc(C)c3[nH]ncc32)n(C(C)C)n1 ZINC001215754301 1134673812 /nfs/dbraw/zinc/67/38/12/1134673812.db2.gz SJTWYBOUFOYQOP-UHFFFAOYSA-N 0 1 269.352 3.701 20 0 CHADMN Cc1ccc(Nc2cccnc2N2CCCC2)c2cn[nH]c21 ZINC001215754015 1134673909 /nfs/dbraw/zinc/67/39/09/1134673909.db2.gz LCLMQPMWSHVFFF-UHFFFAOYSA-N 0 1 293.374 3.610 20 0 CHADMN Cc1ccc(Nc2cnc3ccccc3n2)c2cn[nH]c21 ZINC001215756517 1134674909 /nfs/dbraw/zinc/67/49/09/1134674909.db2.gz SKXACUHKRXQUNH-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN CC(=O)c1ccsc1Nc1ccc(C)c2[nH]ncc21 ZINC001215756004 1134674921 /nfs/dbraw/zinc/67/49/21/1134674921.db2.gz IBMRMLSHKNCECN-UHFFFAOYSA-N 0 1 271.345 3.879 20 0 CHADMN Cc1ccc(Nc2ccc3c(c2)COC3)c2cn[nH]c21 ZINC001215756569 1134675207 /nfs/dbraw/zinc/67/52/07/1134675207.db2.gz BCTQMAPYBIYFGT-UHFFFAOYSA-N 0 1 265.316 3.645 20 0 CHADMN Cc1ccc(Nc2c[nH]c3cc(=O)ccc-3c2)c2cn[nH]c21 ZINC001215756462 1134675262 /nfs/dbraw/zinc/67/52/62/1134675262.db2.gz QXWZRLKHIWBTPW-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1ccc(Nc2ccc3ncoc3c2)c2cn[nH]c21 ZINC001215756572 1134675360 /nfs/dbraw/zinc/67/53/60/1134675360.db2.gz BEDIHCJLPLRCBZ-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1ccc(Nc2ccc3c(c2)[C@@H](O)CCC3)c2cn[nH]c21 ZINC001215758702 1134675986 /nfs/dbraw/zinc/67/59/86/1134675986.db2.gz CUQUZRMICVFJIP-KRWDZBQOSA-N 0 1 293.370 3.985 20 0 CHADMN COc1cccc(Nc2ccc(C)c3[nH]ncc32)c1F ZINC001215758311 1134676265 /nfs/dbraw/zinc/67/62/65/1134676265.db2.gz PDDGGXSTWBJKSA-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1ccc(Nc2ccc3ncn(C)c3c2)c2cn[nH]c21 ZINC001215758226 1134676511 /nfs/dbraw/zinc/67/65/11/1134676511.db2.gz LISNSPFXEIUNOH-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN CCc1ccc(O)c(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215757994 1134676531 /nfs/dbraw/zinc/67/65/31/1134676531.db2.gz CRXFJUVRMYJODE-UHFFFAOYSA-N 0 1 267.332 3.883 20 0 CHADMN COc1ccc(Nc2ccc(C)c3[nH]ncc32)c(C)c1 ZINC001215757718 1134676624 /nfs/dbraw/zinc/67/66/24/1134676624.db2.gz YBELKWRHCFJRNL-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN COc1c(F)cc(F)cc1Nc1ccc(C)c2[nH]ncc21 ZINC001215758641 1134676661 /nfs/dbraw/zinc/67/66/61/1134676661.db2.gz AJXXEXDSWFTKRR-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN CC(=O)c1cc(F)ccc1Nc1ccc(C)c2[nH]ncc21 ZINC001215759132 1134677204 /nfs/dbraw/zinc/67/72/04/1134677204.db2.gz FVUULQHUIRDAGY-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN Cc1ccc(Nc2cccc3cnn(C)c32)c2cn[nH]c21 ZINC001215758779 1134677599 /nfs/dbraw/zinc/67/75/99/1134677599.db2.gz XOLOTYATUIQTJM-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1ccc(Nc2cccc(C3OCCO3)c2)c2cn[nH]c21 ZINC001215758817 1134677761 /nfs/dbraw/zinc/67/77/61/1134677761.db2.gz YYNKSRGTKRRQSQ-UHFFFAOYSA-N 0 1 295.342 3.660 20 0 CHADMN COc1cc(Nc2ccc(C)c3[nH]ncc32)cc(F)c1F ZINC001215760626 1134678869 /nfs/dbraw/zinc/67/88/69/1134678869.db2.gz SBFSVCQKWPYOPP-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Oc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cc1F ZINC001215791572 1134687446 /nfs/dbraw/zinc/68/74/46/1134687446.db2.gz BWAVPNQGJMHUON-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN Oc1ccc(-c2nc(-c3cccc4occc43)no2)cc1F ZINC001215792561 1134688210 /nfs/dbraw/zinc/68/82/10/1134688210.db2.gz WAKZUFDPWWYVGX-UHFFFAOYSA-N 0 1 296.257 3.995 20 0 CHADMN Oc1cc(-c2nc(-c3ccccc3F)no2)ccc1Cl ZINC001215804048 1134691839 /nfs/dbraw/zinc/69/18/39/1134691839.db2.gz CXRUNVGINAUWMC-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN CC(C)(C)c1nc(Nc2cc(Cl)cc3n[nH]cc32)no1 ZINC001215857133 1134704424 /nfs/dbraw/zinc/70/44/24/1134704424.db2.gz AKTAUIODIQVZKR-UHFFFAOYSA-N 0 1 291.742 3.640 20 0 CHADMN Oc1c(F)cccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC001215862922 1134706574 /nfs/dbraw/zinc/70/65/74/1134706574.db2.gz KPONLSTZSQLGLV-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN Cc1ccc(F)cc1-c1noc(-c2cccc(F)c2O)n1 ZINC001215863346 1134706595 /nfs/dbraw/zinc/70/65/95/1134706595.db2.gz WWIWQWXXNMJLEV-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Cc1ccc(-c2noc(-c3cccc(F)c3O)n2)c(C)c1 ZINC001215862715 1134707310 /nfs/dbraw/zinc/70/73/10/1134707310.db2.gz AHCLYMZFEGFVSX-UHFFFAOYSA-N 0 1 284.290 3.865 20 0 CHADMN CSc1ccc(Nc2ccc3nccn3c2)c(C)n1 ZINC001215908630 1134715770 /nfs/dbraw/zinc/71/57/70/1134715770.db2.gz WVQJUEWIQNCTMP-UHFFFAOYSA-N 0 1 270.361 3.503 20 0 CHADMN CSc1ccc(Cl)cc1-n1c(N)nc2ccccc21 ZINC001215910858 1134717124 /nfs/dbraw/zinc/71/71/24/1134717124.db2.gz RKWVLJNODQRQDF-UHFFFAOYSA-N 0 1 289.791 3.983 20 0 CHADMN COc1ccc(-n2c(N)nc3ccc(C)cc32)c(C)c1C ZINC001215972617 1134736913 /nfs/dbraw/zinc/73/69/13/1134736913.db2.gz UPKNDCSIDSNBHL-UHFFFAOYSA-N 0 1 281.359 3.542 20 0 CHADMN COc1ccc(Nc2ccnn2-c2ccncc2)c(C)c1C ZINC001215973665 1134737690 /nfs/dbraw/zinc/73/76/90/1134737690.db2.gz VUGJSGKIPJTVBF-UHFFFAOYSA-N 0 1 294.358 3.636 20 0 CHADMN COc1ccnc(Nc2cc(C(C)C)ccc2N)c1 ZINC001216019031 1134751396 /nfs/dbraw/zinc/75/13/96/1134751396.db2.gz DPOVIFYUIQGXPX-UHFFFAOYSA-N 0 1 257.337 3.539 20 0 CHADMN CN(C)Cc1cccc(Nc2cc(O)c(F)cc2F)c1F ZINC001216231062 1134814884 /nfs/dbraw/zinc/81/48/84/1134814884.db2.gz QAKOTZHYKMGGII-UHFFFAOYSA-N 0 1 296.292 3.615 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc3nccnc3c2)c1F ZINC001216231463 1134814917 /nfs/dbraw/zinc/81/49/17/1134814917.db2.gz ZTSBZSOKSARRGF-UHFFFAOYSA-N 0 1 296.349 3.574 20 0 CHADMN CN(C)Cc1cccc(Nc2cccc3c2CCO3)c1F ZINC001216231413 1134815479 /nfs/dbraw/zinc/81/54/79/1134815479.db2.gz IVZGQEMALFLHTE-UHFFFAOYSA-N 0 1 286.350 3.566 20 0 CHADMN COc1ccc(F)c(Nc2cccc(CN(C)C)c2F)c1 ZINC001216231503 1134815663 /nfs/dbraw/zinc/81/56/63/1134815663.db2.gz BNUOOUVKUVVPAI-UHFFFAOYSA-N 0 1 292.329 3.779 20 0 CHADMN Fc1ccc(Nc2ccnn2-c2ccncc2)c2occc21 ZINC001216296450 1134840151 /nfs/dbraw/zinc/84/01/51/1134840151.db2.gz HKFRKLRBNWEZMF-UHFFFAOYSA-N 0 1 294.289 3.896 20 0 CHADMN CNc1cc(Nc2ccc(Cl)c(Cl)c2[O-])cc[nH+]1 ZINC001216337765 1134858376 /nfs/dbraw/zinc/85/83/76/1134858376.db2.gz IIKHKWSMQOUYLR-UHFFFAOYSA-N 0 1 284.146 3.879 20 0 CHADMN Cc1ncn(C)c1Nc1cccc(Cl)c1Cl ZINC001216442760 1134898619 /nfs/dbraw/zinc/89/86/19/1134898619.db2.gz RSTVJWDOQVYEST-UHFFFAOYSA-N 0 1 256.136 3.779 20 0 CHADMN CN(Cc1ccc(O)cc1F)[C@@H]1CCc2ccccc21 ZINC000403971978 1134901935 /nfs/dbraw/zinc/90/19/35/1134901935.db2.gz BYFNOGLUWKZIOG-QGZVFWFLSA-N 0 1 271.335 3.651 20 0 CHADMN Fc1cccc(F)c1Nc1cncn1Cc1ccccc1 ZINC001216551919 1134917991 /nfs/dbraw/zinc/91/79/91/1134917991.db2.gz CIOWBLNUKPLDHL-UHFFFAOYSA-N 0 1 285.297 3.953 20 0 CHADMN Cc1ccc(Nc2cncn2Cc2ccccc2)c(C)n1 ZINC001216549650 1134918618 /nfs/dbraw/zinc/91/86/18/1134918618.db2.gz YPYSXFJLRFPXTR-UHFFFAOYSA-N 0 1 278.359 3.687 20 0 CHADMN Cc1cc(Nc2cncn2Cc2ccccc2)n(C(C)C)n1 ZINC001216550154 1134918839 /nfs/dbraw/zinc/91/88/39/1134918839.db2.gz NMJBAFZTJIFTOK-UHFFFAOYSA-N 0 1 295.390 3.761 20 0 CHADMN CC(=O)c1ccsc1Nc1cncn1Cc1ccccc1 ZINC001216549878 1134919055 /nfs/dbraw/zinc/91/90/55/1134919055.db2.gz YPPPUTCTXAYVOY-UHFFFAOYSA-N 0 1 297.383 3.939 20 0 CHADMN Cc1c(Nc2cccc3cc[nH+]cc32)cccc1C(=O)[O-] ZINC001216661206 1134941669 /nfs/dbraw/zinc/94/16/69/1134941669.db2.gz BHNPDLQZQQZHHS-UHFFFAOYSA-N 0 1 278.311 3.985 20 0 CHADMN Oc1cc(-c2nc(-c3ccccc3F)no2)cc(F)c1F ZINC001216973246 1134956282 /nfs/dbraw/zinc/95/62/82/1134956282.db2.gz KTGLADCRNKKYRR-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN Fc1cc(F)cc(-c2noc(-c3ccc4[nH]cnc4c3)n2)c1 ZINC001217130960 1134964141 /nfs/dbraw/zinc/96/41/41/1134964141.db2.gz FQNPURZWCUGMEI-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN Cc1ccc(-c2noc(-c3cnc4[nH]cccc3-4)n2)c(F)c1 ZINC001217145884 1134965265 /nfs/dbraw/zinc/96/52/65/1134965265.db2.gz OOJRZTIOCUFOCZ-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Fc1cc(F)cc(-c2noc(-c3cnc4[nH]cccc3-4)n2)c1 ZINC001217145890 1134965804 /nfs/dbraw/zinc/96/58/04/1134965804.db2.gz OVXKLNWNPYEKJN-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN Cc1nc2cc(-c3nc(-c4ccccc4C)no3)ccc2[nH]1 ZINC001217244833 1134968810 /nfs/dbraw/zinc/96/88/10/1134968810.db2.gz SDOXQCVIKFIRII-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Fc1ccc(F)c(-c2noc(-c3cnc4ccc[nH]c3-4)n2)c1 ZINC001217398883 1134975301 /nfs/dbraw/zinc/97/53/01/1134975301.db2.gz LZRMRRNAGYCODB-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN Cc1cccc(-c2noc(-c3cc4ccc(C)nc4[nH]3)n2)c1 ZINC001217618599 1134985394 /nfs/dbraw/zinc/98/53/94/1134985394.db2.gz JKWPKYDDBFXVQR-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN CN[C@H](CC(C)C)c1nnc(Cc2ccccc2Cl)o1 ZINC001217714379 1134990705 /nfs/dbraw/zinc/99/07/05/1134990705.db2.gz GWMBWRMTGYFHSF-CYBMUJFWSA-N 0 1 293.798 3.620 20 0 CHADMN CC(C)[C@@](C)(N)c1nnc(-c2ccc3ccccc3c2)o1 ZINC001217733621 1134994044 /nfs/dbraw/zinc/99/40/44/1134994044.db2.gz QFDQPCLTKYYQTD-QGZVFWFLSA-N 0 1 281.359 3.720 20 0 CHADMN CCCC(N)(CCC)c1nnc(-c2ccc3c(c2)CCC3)o1 ZINC001217734368 1134994193 /nfs/dbraw/zinc/99/41/93/1134994193.db2.gz PNZVNWGIYLFADF-UHFFFAOYSA-N 0 1 299.418 3.980 20 0 CHADMN c1nc2cccc(CO[C@H]3CC4CCC3CC4)c2[nH]1 ZINC001217864318 1135010945 /nfs/dbraw/zinc/01/09/45/1135010945.db2.gz DNQUWAVHOSEOEV-QOZQQMKHSA-N 0 1 256.349 3.658 20 0 CHADMN CCCCC[C@@H](Oc1cnc(CN)nc1)c1ccccc1 ZINC001218358314 1135094518 /nfs/dbraw/zinc/09/45/18/1135094518.db2.gz VYUVIPQRIFNKKO-MRXNPFEDSA-N 0 1 285.391 3.636 20 0 CHADMN CC(C)(C)c1cccc(NC(=O)[C@H](N)c2ccccc2)c1 ZINC001218900123 1135122489 /nfs/dbraw/zinc/12/24/89/1135122489.db2.gz BOCNBXWPWJOSPF-MRXNPFEDSA-N 0 1 282.387 3.623 20 0 CHADMN C[C@H]1CC[C@H]([NH2+]Cc2cccc([O-])c2Br)CC1 ZINC000315001959 1135149849 /nfs/dbraw/zinc/14/98/49/1135149849.db2.gz IAKZNWTUFHNXDL-UMSPYCQHSA-N 0 1 298.224 3.823 20 0 CHADMN Cc1nnc(SCCc2cc(Cl)cc(Cl)c2)[nH]1 ZINC000194590814 1135163937 /nfs/dbraw/zinc/16/39/37/1135163937.db2.gz KXRKPDHRMDPJMZ-UHFFFAOYSA-N 0 1 288.203 3.755 20 0 CHADMN C[C@@H](N[C@H](C)c1cccnc1)c1cnn(-c2ccccc2)c1 ZINC000316864852 1135169543 /nfs/dbraw/zinc/16/95/43/1135169543.db2.gz PKDHCGDREFQTOE-HUUCEWRRSA-N 0 1 292.386 3.679 20 0 CHADMN Cc1cc(-c2nccc3[nH]cnc32)c(F)cc1Cl ZINC001222215684 1135209028 /nfs/dbraw/zinc/20/90/28/1135209028.db2.gz VVEQSYKYCUSRFF-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1cn(C)nc1-c1ccccc1 ZINC001222535995 1135249085 /nfs/dbraw/zinc/24/90/85/1135249085.db2.gz FGBWCVWWMGUGKO-UHFFFAOYSA-N 0 1 288.354 3.939 20 0 CHADMN Clc1cc(Cl)cc(-c2cc3[nH]cnc3cn2)c1 ZINC001222582122 1135252734 /nfs/dbraw/zinc/25/27/34/1135252734.db2.gz IBZOTHYHIDFLHF-UHFFFAOYSA-N 0 1 264.115 3.932 20 0 CHADMN FCCN1CCC(OCc2cccc3ccccc32)CC1 ZINC001222770239 1135271735 /nfs/dbraw/zinc/27/17/35/1135271735.db2.gz RIXXGZOZOPQANK-UHFFFAOYSA-N 0 1 287.378 3.790 20 0 CHADMN Cc1ccc(COC2CN(C(C)C)C2)c2ccccc12 ZINC001222796220 1135274224 /nfs/dbraw/zinc/27/42/24/1135274224.db2.gz SYPURMNMQLQPDF-UHFFFAOYSA-N 0 1 269.388 3.757 20 0 CHADMN COc1ccc([C@H](OCc2cnc[nH]2)c2ccccc2)cc1 ZINC001223006537 1135293848 /nfs/dbraw/zinc/29/38/48/1135293848.db2.gz ALWAFLLCSSKSNY-GOSISDBHSA-N 0 1 294.354 3.725 20 0 CHADMN COc1ccc([C@@H](OCc2cnc[nH]2)c2ccccc2)cc1 ZINC001223006539 1135293961 /nfs/dbraw/zinc/29/39/61/1135293961.db2.gz ALWAFLLCSSKSNY-SFHVURJKSA-N 0 1 294.354 3.725 20 0 CHADMN Clc1cc2c(cc1Cl)[C@@H](OCc1cnc[nH]1)CC2 ZINC001223001091 1135294007 /nfs/dbraw/zinc/29/40/07/1135294007.db2.gz SZRBGLFIUHBWJF-ZDUSSCGKSA-N 0 1 283.158 3.921 20 0 CHADMN C[C@H](OCc1cnc[nH]1)c1cccc(OC(F)(F)F)c1 ZINC001223007704 1135294409 /nfs/dbraw/zinc/29/44/09/1135294409.db2.gz OOTBYMZDGLVSOX-VIFPVBQESA-N 0 1 286.253 3.586 20 0 CHADMN CC[C@@H](C)CO[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001224667463 1135467669 /nfs/dbraw/zinc/46/76/69/1135467669.db2.gz GYYZDRQVYOTDAO-ZBFHGGJFSA-N 0 1 279.399 3.853 20 0 CHADMN Clc1ccccc1CN1CC[C@@H](OCCC2CC2)C1 ZINC001224760672 1135479796 /nfs/dbraw/zinc/47/97/96/1135479796.db2.gz BFDKGPCFOSGPLQ-OAHLLOKOSA-N 0 1 279.811 3.731 20 0 CHADMN CN1CCC[C@@H](Oc2cc(C(F)(F)F)ccc2Cl)C1 ZINC001225324749 1135543467 /nfs/dbraw/zinc/54/34/67/1135543467.db2.gz QMZNBPSZXGRHPA-SNVBAGLBSA-N 0 1 293.716 3.832 20 0 CHADMN CC(C)N1CCC[C@@H](Oc2c(F)cccc2Cl)C1 ZINC001225865443 1135630671 /nfs/dbraw/zinc/63/06/71/1135630671.db2.gz ZYYMFJSGEJOWKP-LLVKDONJSA-N 0 1 271.763 3.731 20 0 CHADMN CC(=O)c1ccc2ccccc2c1OC1CCN(C)CC1 ZINC001226033302 1135655410 /nfs/dbraw/zinc/65/54/10/1135655410.db2.gz LDUGBANMFBCGKP-UHFFFAOYSA-N 0 1 283.371 3.515 20 0 CHADMN C/C=C/[C@H](Oc1n[nH]c2ncccc12)C1CCCCC1 ZINC001226302507 1135682396 /nfs/dbraw/zinc/68/23/96/1135682396.db2.gz LLEKBRDENGAYMJ-NOYTZHBZSA-N 0 1 271.364 3.862 20 0 CHADMN CCC[C@@H](C)[C@@H](Oc1n[nH]c2ncccc12)C(C)C ZINC001226306353 1135682802 /nfs/dbraw/zinc/68/28/02/1135682802.db2.gz SRAZWGPTHRYYCG-YPMHNXCESA-N 0 1 261.369 3.798 20 0 CHADMN CC(C)CC(CC(C)C)Oc1n[nH]c2ncccc12 ZINC001226302488 1135682887 /nfs/dbraw/zinc/68/28/87/1135682887.db2.gz LBQJJLDJGMDTEU-UHFFFAOYSA-N 0 1 261.369 3.798 20 0 CHADMN C[C@H](Oc1nccc(=O)[nH]1)c1ccc(-c2ccccc2)cc1 ZINC001226324831 1135685256 /nfs/dbraw/zinc/68/52/56/1135685256.db2.gz VHPSPMYLWIEVCD-ZDUSSCGKSA-N 0 1 292.338 3.989 20 0 CHADMN C[C@H](COc1ccccc1)Oc1cc(N)nc2ccccc21 ZINC001226420248 1135694570 /nfs/dbraw/zinc/69/45/70/1135694570.db2.gz ZARPFCGTPMIEHF-CYBMUJFWSA-N 0 1 294.354 3.663 20 0 CHADMN C[C@H]1CC[C@@H](Oc2cc(N)nc3ccccc32)CC1 ZINC001226422955 1135694592 /nfs/dbraw/zinc/69/45/92/1135694592.db2.gz OYMJDDNWQFFTHT-TXEJJXNPSA-N 0 1 256.349 3.775 20 0 CHADMN Nc1cc(O[C@@H]2CC3CCC2CC3)c2ccccc2n1 ZINC001226422492 1135694749 /nfs/dbraw/zinc/69/47/49/1135694749.db2.gz NCCFEYICEWDFSL-KOHJWAIASA-N 0 1 268.360 3.775 20 0 CHADMN CC1CCC(Oc2cc(N)nc3ccccc32)CC1 ZINC001226418540 1135694821 /nfs/dbraw/zinc/69/48/21/1135694821.db2.gz OYMJDDNWQFFTHT-UHFFFAOYSA-N 0 1 256.349 3.775 20 0 CHADMN Cc1ccc2nc(OC[C@@H](C)Oc3ccccc3)[nH]c2c1 ZINC001226508642 1135705652 /nfs/dbraw/zinc/70/56/52/1135705652.db2.gz MBZFQLKXOZWOMT-CYBMUJFWSA-N 0 1 282.343 3.718 20 0 CHADMN Cc1ccc2nc(O[C@@H]3COCc4ccccc43)[nH]c2c1 ZINC001226510672 1135705993 /nfs/dbraw/zinc/70/59/93/1135705993.db2.gz ZNBJFHNRPLLHKS-MRXNPFEDSA-N 0 1 280.327 3.522 20 0 CHADMN C[C@H](Cc1ccccc1)Oc1nc2ccc(F)cc2[nH]1 ZINC001226701386 1135730467 /nfs/dbraw/zinc/73/04/67/1135730467.db2.gz PEFNNXAWMBYGMP-LLVKDONJSA-N 0 1 270.307 3.712 20 0 CHADMN O=C1CC[C@H](Oc2nc3ccc(F)cc3[nH]2)c2ccccc21 ZINC001226701086 1135730492 /nfs/dbraw/zinc/73/04/92/1135730492.db2.gz LABOTYZDYOKLKK-INIZCTEOSA-N 0 1 296.301 3.799 20 0 CHADMN C[C@@H](Oc1ccc2nc[nH]c2c1)c1cccc(F)c1F ZINC001226928531 1135761530 /nfs/dbraw/zinc/76/15/30/1135761530.db2.gz NFVDMUFLRQJGSO-SECBINFHSA-N 0 1 274.270 3.981 20 0 CHADMN c1nc2ccc(O[C@H]3CCCN(c4ccccc4)C3)cc2[nH]1 ZINC001226928854 1135761903 /nfs/dbraw/zinc/76/19/03/1135761903.db2.gz TXZMVJDKCIZJTC-INIZCTEOSA-N 0 1 293.370 3.611 20 0 CHADMN CC(C)[C@@H](Oc1ccc2nc[nH]c2c1)C(F)(F)F ZINC001226928848 1135761911 /nfs/dbraw/zinc/76/19/11/1135761911.db2.gz TWYNFACSELMPDZ-LLVKDONJSA-N 0 1 258.243 3.529 20 0 CHADMN C[C@H](Oc1ccc2nc[nH]c2c1)c1cccc(F)c1F ZINC001226928532 1135762239 /nfs/dbraw/zinc/76/22/39/1135762239.db2.gz NFVDMUFLRQJGSO-VIFPVBQESA-N 0 1 274.270 3.981 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2Oc1ccc2nc[nH]c2c1 ZINC001226929317 1135762769 /nfs/dbraw/zinc/76/27/69/1135762769.db2.gz DNWBXERNMKJZRU-MRXNPFEDSA-N 0 1 268.291 3.768 20 0 CHADMN Cc1ccc2nc(=O)[nH]c(OC3CCC(F)(F)CC3)c2c1 ZINC001227348737 1135823867 /nfs/dbraw/zinc/82/38/67/1135823867.db2.gz DZFMKAUWRWVPFH-UHFFFAOYSA-N 0 1 294.301 3.601 20 0 CHADMN CC[C@@H]1CN(Cc2c(C)oc3ccccc32)C[C@@H](C)O1 ZINC000352721170 529396237 /nfs/dbraw/zinc/39/62/37/529396237.db2.gz ZSRMELJFTXIYMH-TZMCWYRMSA-N 0 1 273.376 3.741 20 0 CHADMN CO[C@H](CNCc1cc(Cl)sc1Cl)C1CC1 ZINC000312600414 260172803 /nfs/dbraw/zinc/17/28/03/260172803.db2.gz KTIFJRMTJSKFFM-SECBINFHSA-N 0 1 280.220 3.570 20 0 CHADMN CCc1cc(C(=O)Nc2c(C)n[nH]c2C(F)F)sc1C ZINC000353546543 529520081 /nfs/dbraw/zinc/52/00/81/529520081.db2.gz PBSFCRZITNXABI-UHFFFAOYSA-N 0 1 299.346 3.840 20 0 CHADMN CCc1ccc(CNCc2ccccc2Cl)cn1 ZINC000352246144 529653680 /nfs/dbraw/zinc/65/36/80/529653680.db2.gz MSFMXSONMMJWBB-UHFFFAOYSA-N 0 1 260.768 3.587 20 0 CHADMN CC[C@H](N[C@@H](CCO)c1ccccc1)c1ccccc1F ZINC000352791176 529654636 /nfs/dbraw/zinc/65/46/36/529654636.db2.gz XZZDUOIVKHFDFU-ROUUACIJSA-N 0 1 287.378 3.990 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@@H](C)c1cc(C)ccn1 ZINC000353631766 529678268 /nfs/dbraw/zinc/67/82/68/529678268.db2.gz MTQLZQMEXNGORE-KGLIPLIRSA-N 0 1 269.392 3.759 20 0 CHADMN CCc1nc(CN(C)C2CCC(F)(F)CC2)cs1 ZINC000347577333 529735260 /nfs/dbraw/zinc/73/52/60/529735260.db2.gz HRUYIQBYRDIGBB-UHFFFAOYSA-N 0 1 274.380 3.715 20 0 CHADMN CN(Cc1nc(C2CCCC2)no1)C1CCC(F)(F)CC1 ZINC000347622182 530022268 /nfs/dbraw/zinc/02/22/68/530022268.db2.gz VWYAWQLBRHEHRJ-UHFFFAOYSA-N 0 1 299.365 3.737 20 0 CHADMN O[C@H](CNCc1c(Cl)ccc(Cl)c1Cl)C1CC1 ZINC000109383619 186250676 /nfs/dbraw/zinc/25/06/76/186250676.db2.gz ZPKZTJSJMIJTBQ-LLVKDONJSA-N 0 1 294.609 3.507 20 0 CHADMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cnc(C2CC2)s1 ZINC000574240823 335003460 /nfs/dbraw/zinc/00/34/60/335003460.db2.gz QENBEAVONNUANS-PWSUYJOCSA-N 0 1 250.411 3.783 20 0 CHADMN Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2ncccc2[O-])cc1 ZINC000574239739 335003498 /nfs/dbraw/zinc/00/34/98/335003498.db2.gz HSRBOMUWCMPJNZ-KRWDZBQOSA-N 0 1 282.387 3.823 20 0 CHADMN Cc1ccc([C@@H]2CCCC[N@H+]2Cc2ncccc2[O-])cc1 ZINC000574239739 335003499 /nfs/dbraw/zinc/00/34/99/335003499.db2.gz HSRBOMUWCMPJNZ-KRWDZBQOSA-N 0 1 282.387 3.823 20 0 CHADMN Cc1noc([C@H](C)N[C@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000574252934 335003992 /nfs/dbraw/zinc/00/39/92/335003992.db2.gz ODRFCEUJCDTKFB-MAZHCROVSA-N 0 1 285.391 3.755 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@@H](C)C1CCCCC1 ZINC000574525557 335026888 /nfs/dbraw/zinc/02/68/88/335026888.db2.gz QYHXALOQLVIYER-CQSZACIVSA-N 0 1 269.429 3.636 20 0 CHADMN CC(C)C[C@@H](CN1CCOCC12CC2)c1ccccc1 ZINC000574587732 335032291 /nfs/dbraw/zinc/03/22/91/335032291.db2.gz XBFCMRJAKCBHSX-KRWDZBQOSA-N 0 1 273.420 3.681 20 0 CHADMN CC(C)(C)CC[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000574652059 335037704 /nfs/dbraw/zinc/03/77/04/335037704.db2.gz LHHUURLTZSYUAX-GJZGRUSLSA-N 0 1 275.392 3.713 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](CCC)CC1CCCCC1 ZINC000574696878 335040676 /nfs/dbraw/zinc/04/06/76/335040676.db2.gz BWPLBHHXYBVNIZ-OAHLLOKOSA-N 0 1 269.429 3.922 20 0 CHADMN CSc1ccc(CN[C@H]2COCc3ccccc32)s1 ZINC000418100893 532961561 /nfs/dbraw/zinc/96/15/61/532961561.db2.gz FKJQMZXHNVIPKW-AWEZNQCLSA-N 0 1 291.441 3.831 20 0 CHADMN CC[C@H](C[N@H+](CC)Cc1ncccc1[O-])c1ccccc1 ZINC000574796043 335047829 /nfs/dbraw/zinc/04/78/29/335047829.db2.gz PTGPBXILTXVHOY-OAHLLOKOSA-N 0 1 284.403 3.803 20 0 CHADMN CC[C@H](C[N@@H+](CC)Cc1ncccc1[O-])c1ccccc1 ZINC000574796043 335047831 /nfs/dbraw/zinc/04/78/31/335047831.db2.gz PTGPBXILTXVHOY-OAHLLOKOSA-N 0 1 284.403 3.803 20 0 CHADMN COc1cc([C@H](C)NCc2sccc2Cl)ccn1 ZINC000347647732 533129704 /nfs/dbraw/zinc/12/97/04/533129704.db2.gz PDCPMTYBDLQSKX-VIFPVBQESA-N 0 1 282.796 3.656 20 0 CHADMN CC[C@H](C)[N@H+](Cc1ccccc1)Cc1ncccc1[O-] ZINC000575026369 335056924 /nfs/dbraw/zinc/05/69/24/335056924.db2.gz RJNGNIAOWCHGIA-AWEZNQCLSA-N 0 1 270.376 3.588 20 0 CHADMN CC[C@H](C)[N@@H+](Cc1ccccc1)Cc1ncccc1[O-] ZINC000575026369 335056926 /nfs/dbraw/zinc/05/69/26/335056926.db2.gz RJNGNIAOWCHGIA-AWEZNQCLSA-N 0 1 270.376 3.588 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CC[C@@H](O)C(C)(C)C1 ZINC000446064148 262270037 /nfs/dbraw/zinc/27/00/37/262270037.db2.gz USKWOKPZUGKQDV-HUUCEWRRSA-N 0 1 283.362 3.509 20 0 CHADMN CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000036102529 260035518 /nfs/dbraw/zinc/03/55/18/260035518.db2.gz LYBYFCUYYKIFQS-SFHVURJKSA-N 0 1 287.378 3.599 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2OC2CCCC2)CCCO1 ZINC000179394468 260045467 /nfs/dbraw/zinc/04/54/67/260045467.db2.gz UCLVNZJKHFFWFN-OAHLLOKOSA-N 0 1 289.419 3.619 20 0 CHADMN COc1ccc2c(c1)CN(Cc1ccc(C)s1)CC2 ZINC000352755629 533261627 /nfs/dbraw/zinc/26/16/27/533261627.db2.gz MVQNGSNQVNEDMA-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN COc1ccc(C)cc1CN[C@@H]1CCOc2c(C)cccc21 ZINC000353226707 533387922 /nfs/dbraw/zinc/38/79/22/533387922.db2.gz QWKLDTUXSHGNLY-QGZVFWFLSA-N 0 1 297.398 3.925 20 0 CHADMN COc1ccc2nc(CN[C@H]3C=CCCC3)sc2c1 ZINC000353733660 533347883 /nfs/dbraw/zinc/34/78/83/533347883.db2.gz AWNSKJZVPDLJHS-NSHDSACASA-N 0 1 274.389 3.503 20 0 CHADMN CO[C@@H](C)c1nc(CN[C@H](C)CCC(C)C)cs1 ZINC000344781156 533358863 /nfs/dbraw/zinc/35/88/63/533358863.db2.gz ZYDBQIUANMDART-NEPJUHHUSA-N 0 1 270.442 3.765 20 0 CHADMN COc1cccc(CN(Cc2ccc(C)s2)C(C)C)n1 ZINC000353298636 533474764 /nfs/dbraw/zinc/47/47/64/533474764.db2.gz XAMZFSDNZSCVAB-UHFFFAOYSA-N 0 1 290.432 3.871 20 0 CHADMN CSC1(CN2CCc3c4ccccc4[nH]c3C2)CCC1 ZINC000356137236 533483740 /nfs/dbraw/zinc/48/37/40/533483740.db2.gz PIAGXSZQZCBPDN-UHFFFAOYSA-N 0 1 286.444 3.812 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2n[nH]cc2c1)c1ccco1 ZINC000353996344 533504905 /nfs/dbraw/zinc/50/49/05/533504905.db2.gz OLQJKDNOZUYVHY-WDEREUQCSA-N 0 1 255.321 3.568 20 0 CHADMN C[C@H](C1CCC1)[N@H+](C)Cc1cccc([O-])c1Cl ZINC000353520937 533585839 /nfs/dbraw/zinc/58/58/39/533585839.db2.gz QASLHQGKVDGKLV-SNVBAGLBSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@H](C1CCC1)[N@@H+](C)Cc1cccc([O-])c1Cl ZINC000353520937 533585848 /nfs/dbraw/zinc/58/58/48/533585848.db2.gz QASLHQGKVDGKLV-SNVBAGLBSA-N 0 1 253.773 3.666 20 0 CHADMN CC(C)n1nccc1CN1CCC=C(c2ccccc2)C1 ZINC000341987759 130210436 /nfs/dbraw/zinc/21/04/36/130210436.db2.gz IFEOTMRWYZUUQG-UHFFFAOYSA-N 0 1 281.403 3.753 20 0 CHADMN Fc1cccc(Cl)c1CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000342056040 130225862 /nfs/dbraw/zinc/22/58/62/130225862.db2.gz GQGAZWIQYYTDOL-HUUCEWRRSA-N 0 1 283.774 3.623 20 0 CHADMN CCOc1cc(CN[C@H](C)CF)ccc1OCC(C)C ZINC000342196477 130330078 /nfs/dbraw/zinc/33/00/78/130330078.db2.gz GBIHELQOOCORLV-CYBMUJFWSA-N 0 1 283.387 3.568 20 0 CHADMN FC(F)[C@@H]1C[C@@H]1NCc1ncc(-c2ccccc2)s1 ZINC000342205847 130383889 /nfs/dbraw/zinc/38/38/89/130383889.db2.gz POJGLAQDLYVDRB-MNOVXSKESA-N 0 1 280.343 3.553 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3CCC[C@H](C)C3)ccc12 ZINC000354989918 533673061 /nfs/dbraw/zinc/67/30/61/533673061.db2.gz LAQLJMJBSZRKEZ-CMPLNLGQSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1cccc(NS(=O)(=O)c2ccccc2Cl)c1C ZINC000006315770 170190538 /nfs/dbraw/zinc/19/05/38/170190538.db2.gz XATLUPMMYVWZEB-UHFFFAOYSA-N 0 1 295.791 3.758 20 0 CHADMN CN[C@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000007386596 170282038 /nfs/dbraw/zinc/28/20/38/170282038.db2.gz OBBPSEJRYUIVKK-HNNXBMFYSA-N 0 1 288.778 3.548 20 0 CHADMN Cc1cccc(NC(=O)CN2[C@@H](C)CCC[C@@H]2C)c1C ZINC000009997767 170394402 /nfs/dbraw/zinc/39/44/02/170394402.db2.gz PUZIMFPWKOKUBM-KBPBESRZSA-N 0 1 274.408 3.505 20 0 CHADMN COc1ccc(OC)c([C@H](C)N[C@H](C)c2ccncc2)c1 ZINC000020121329 171000124 /nfs/dbraw/zinc/00/01/24/171000124.db2.gz JVVURNXHPWKGRC-OLZOCXBDSA-N 0 1 286.375 3.511 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@H](C)c1ccccc1Cl ZINC000020124128 171005396 /nfs/dbraw/zinc/00/53/96/171005396.db2.gz YSJVZOALKDMILE-SNVBAGLBSA-N 0 1 277.799 3.541 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)N[C@H](C)c1cccnc1 ZINC000020127801 171013814 /nfs/dbraw/zinc/01/38/14/171013814.db2.gz FNWQUIINKLGAMF-ZIAGYGMSSA-N 0 1 270.376 3.810 20 0 CHADMN Clc1ccc(CN[C@H]2CCOc3ccccc32)cc1 ZINC000020209888 171073847 /nfs/dbraw/zinc/07/38/47/171073847.db2.gz IGGNBWGDTAEKIG-HNNXBMFYSA-N 0 1 273.763 3.953 20 0 CHADMN Cn1cccc1CNC(c1ccccc1)c1ccccc1 ZINC000020359826 171158904 /nfs/dbraw/zinc/15/89/04/171158904.db2.gz STGBTFAGTZWKCV-UHFFFAOYSA-N 0 1 276.383 3.904 20 0 CHADMN Cc1ccc(F)c(NC(=O)c2cc(Cl)ccc2O)c1 ZINC000020363082 171162462 /nfs/dbraw/zinc/16/24/62/171162462.db2.gz KJYMURCMFPWNJS-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc3c(c2)OCCO3)c(C)o1 ZINC000020438586 171203140 /nfs/dbraw/zinc/20/31/40/171203140.db2.gz BRQHMNVDDDGECB-GFCCVEGCSA-N 0 1 287.359 3.518 20 0 CHADMN COc1ccc([C@H](C)NCc2ccsc2)cc1F ZINC000035016768 171933149 /nfs/dbraw/zinc/93/31/49/171933149.db2.gz RIEWLHZFOBTPFF-JTQLQIEISA-N 0 1 265.353 3.747 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000035219424 172060488 /nfs/dbraw/zinc/06/04/88/172060488.db2.gz VJAZJVWZECJGSD-SMDDNHRTSA-N 0 1 293.794 3.840 20 0 CHADMN COc1ccc(C)cc1CN[C@H]1CCCc2occc21 ZINC000035250276 172080578 /nfs/dbraw/zinc/08/05/78/172080578.db2.gz UXZHEEJENHRXTO-HNNXBMFYSA-N 0 1 271.360 3.764 20 0 CHADMN Brc1cc(CNCc2cccs2)cs1 ZINC000035251331 172081245 /nfs/dbraw/zinc/08/12/45/172081245.db2.gz DDWYWMYVBQJAHV-UHFFFAOYSA-N 0 1 288.235 3.862 20 0 CHADMN CCN[C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000035539683 172245257 /nfs/dbraw/zinc/24/52/57/172245257.db2.gz PIMHLYMXDQZPQL-CYBMUJFWSA-N 0 1 298.155 3.880 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccccc2)c(F)c1 ZINC000037187705 173018285 /nfs/dbraw/zinc/01/82/85/173018285.db2.gz WFNBYQQBVYQLQJ-GFCCVEGCSA-N 0 1 259.324 3.685 20 0 CHADMN Fc1ccccc1CN[C@@H]1CSCc2ccccc21 ZINC000037212048 173033626 /nfs/dbraw/zinc/03/36/26/173033626.db2.gz ZXXHAQVDJPGSEQ-MRXNPFEDSA-N 0 1 273.376 3.903 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccco1)c1ccc2c(c1)CCO2 ZINC000037260482 173071010 /nfs/dbraw/zinc/07/10/10/173071010.db2.gz HGTRWRADPVVZCX-NEPJUHHUSA-N 0 1 257.333 3.626 20 0 CHADMN Cc1ccc(CNc2ccc3c[nH]nc3c2)cc1C ZINC000037317246 173117469 /nfs/dbraw/zinc/11/74/69/173117469.db2.gz AHOKZULHOLYHBS-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN Cc1nccc(CN[C@@H](C)c2ccc3ccccc3c2)n1 ZINC000038037396 174037873 /nfs/dbraw/zinc/03/78/73/174037873.db2.gz GXCAVUABXDNYFF-ZDUSSCGKSA-N 0 1 277.371 3.789 20 0 CHADMN CC[C@H](NCc1ccnc(C)n1)c1cccc(Cl)c1 ZINC000038037409 174037893 /nfs/dbraw/zinc/03/78/93/174037893.db2.gz VETAGYIUAXCZLM-HNNXBMFYSA-N 0 1 275.783 3.679 20 0 CHADMN Cc1csc(CN[C@@H](C)c2ccc(C)cc2C)n1 ZINC000038090684 174103644 /nfs/dbraw/zinc/10/36/44/174103644.db2.gz GTKJYKKPVJHBCI-ZDUSSCGKSA-N 0 1 260.406 3.919 20 0 CHADMN Brc1ccsc1CNCc1ccccc1 ZINC000043674550 175087752 /nfs/dbraw/zinc/08/77/52/175087752.db2.gz ILSVJTHSOOLQBT-UHFFFAOYSA-N 0 1 282.206 3.800 20 0 CHADMN CC[C@H]1CCCN1Cc1cc(Br)cs1 ZINC000043686908 175094446 /nfs/dbraw/zinc/09/44/46/175094446.db2.gz UVAYJRFCSPUQEZ-JTQLQIEISA-N 0 1 274.227 3.885 20 0 CHADMN CCc1ccc([C@H](C)NCc2ncccc2C)cc1 ZINC000071338914 176129396 /nfs/dbraw/zinc/12/93/96/176129396.db2.gz IZQCWDSBWRUWAO-AWEZNQCLSA-N 0 1 254.377 3.803 20 0 CHADMN Fc1cc2cccnc2c(CN2CCCc3occc3C2)c1 ZINC000344237829 225001377 /nfs/dbraw/zinc/00/13/77/225001377.db2.gz OTFNQTDWCAXQNH-UHFFFAOYSA-N 0 1 296.345 3.915 20 0 CHADMN CO[C@@H](C)c1nc(CN(C)[C@H]2CCC(C)(C)C2)cs1 ZINC000344470901 225068707 /nfs/dbraw/zinc/06/87/07/225068707.db2.gz XGBBSXRXWLBVSS-AAEUAGOBSA-N 0 1 282.453 3.861 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cccc(C(C)C)n3)[nH]c2c1 ZINC000344485127 225072772 /nfs/dbraw/zinc/07/27/72/225072772.db2.gz PLQVSRUAVRYEPX-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN Cc1ccc2nc(NC(=O)C[C@H]3C=CCCC3)[nH]c2c1 ZINC000344522947 225077920 /nfs/dbraw/zinc/07/79/20/225077920.db2.gz LJQHPBVLCITNHM-LBPRGKRZSA-N 0 1 269.348 3.556 20 0 CHADMN Cc1nc(C)c(C[N@H+]2CCSC3(CCC3)CC2)s1 ZINC000334635192 225182663 /nfs/dbraw/zinc/18/26/63/225182663.db2.gz DYOHTDLDCOEVAL-UHFFFAOYSA-N 0 1 282.478 3.622 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC(C)(C)CC(C)(C)C1 ZINC000344948258 225213359 /nfs/dbraw/zinc/21/33/59/225213359.db2.gz YUDQLNKGFUMFPR-UHFFFAOYSA-N 0 1 291.439 3.740 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3ccn(C(C)C)c3C)ccc12 ZINC000344955567 225215792 /nfs/dbraw/zinc/21/57/92/225215792.db2.gz WVJCQNXXMPSCIG-UHFFFAOYSA-N 0 1 296.374 3.814 20 0 CHADMN c1ccc(-c2nnc(CN3CC[C@@H]4CCC[C@@H]43)s2)cc1 ZINC000334659221 225261695 /nfs/dbraw/zinc/26/16/95/225261695.db2.gz CYRZSTVAURAYEF-JSGCOSHPSA-N 0 1 285.416 3.580 20 0 CHADMN Cc1ccc(CN[C@@H]2CCOc3c(F)cccc32)s1 ZINC000334788615 225322053 /nfs/dbraw/zinc/32/20/53/225322053.db2.gz RXBMKULZTLENOV-CQSZACIVSA-N 0 1 277.364 3.809 20 0 CHADMN Cc1cc(C)c(CN[C@@H]2CCCOc3ccccc32)cn1 ZINC000334668441 225240459 /nfs/dbraw/zinc/24/04/59/225240459.db2.gz GXHUZSDBUCBJRD-QGZVFWFLSA-N 0 1 282.387 3.702 20 0 CHADMN C[C@]1(C(=O)Nc2cc(Cl)c(O)cc2F)CC=CCC1 ZINC000334654280 225258680 /nfs/dbraw/zinc/25/86/80/225258680.db2.gz MNTZXZPEFZFJQU-AWEZNQCLSA-N 0 1 283.730 3.870 20 0 CHADMN Nc1ccc2c(c1)CCC[C@@H]2NCc1c(F)cccc1F ZINC000334856819 225338191 /nfs/dbraw/zinc/33/81/91/225338191.db2.gz SWFUVUONYYVNDX-KRWDZBQOSA-N 0 1 288.341 3.714 20 0 CHADMN COc1ccncc1CN[C@H](C)c1c(C)cccc1C ZINC000347244118 226078142 /nfs/dbraw/zinc/07/81/42/226078142.db2.gz ZDGQVBBUIYAKHS-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN c1cc([C@H]2CCCN2CCSC2CCCCC2)n[nH]1 ZINC000367013553 226384280 /nfs/dbraw/zinc/38/42/80/226384280.db2.gz AKKFJPHZQKIVOT-OAHLLOKOSA-N 0 1 279.453 3.613 20 0 CHADMN Cc1cc(C(=O)CN2CCC[C@H]2c2ccccc2C)c(C)[nH]1 ZINC000347994553 226399424 /nfs/dbraw/zinc/39/94/24/226399424.db2.gz OKDKAJBXTOVKFR-SFHVURJKSA-N 0 1 296.414 3.960 20 0 CHADMN Clc1ccc(O[C@@H]2CCN(Cc3ccco3)C2)cc1 ZINC000354469847 227005926 /nfs/dbraw/zinc/00/59/26/227005926.db2.gz AGILXCHRNCBPLN-OAHLLOKOSA-N 0 1 277.751 3.586 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@H](Cc3ccccc3)[C@@H]2C)o1 ZINC000350480233 227021585 /nfs/dbraw/zinc/02/15/85/227021585.db2.gz PYKWLVBPPAESFZ-OFQRWUPVSA-N 0 1 299.418 3.646 20 0 CHADMN Cc1oc2ccccc2c1CN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000354716681 227080801 /nfs/dbraw/zinc/08/08/01/227080801.db2.gz LWNZAIIMSGOPEQ-MOPGFXCFSA-N 0 1 297.398 3.885 20 0 CHADMN Cc1oc2ccccc2c1CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000354716691 227081058 /nfs/dbraw/zinc/08/10/58/227081058.db2.gz LWNZAIIMSGOPEQ-RBUKOAKNSA-N 0 1 297.398 3.885 20 0 CHADMN C[C@@H](c1nnc(-c2ccccc2F)s1)N1CCC[C@@H]1C ZINC000336584587 227138278 /nfs/dbraw/zinc/13/82/78/227138278.db2.gz UDDOBBBZRSSRMF-QWRGUYRKSA-N 0 1 291.395 3.890 20 0 CHADMN Cc1cccc(NC[C@@H](c2ccccc2Cl)N(C)C)n1 ZINC000354870732 227187985 /nfs/dbraw/zinc/18/79/85/227187985.db2.gz KOGQBBVPWAVKFW-HNNXBMFYSA-N 0 1 289.810 3.758 20 0 CHADMN Cc1cc(Cl)cc(CN(C)[C@@H](C)c2cnn(C)c2)c1 ZINC000352766128 227199559 /nfs/dbraw/zinc/19/95/59/227199559.db2.gz LDZSMUCJSMPDJT-LBPRGKRZSA-N 0 1 277.799 3.575 20 0 CHADMN C[C@@H](O)CCCN(Cc1ccco1)Cc1cccs1 ZINC000354895184 227213093 /nfs/dbraw/zinc/21/30/93/227213093.db2.gz PKLCSUBZBKQEGS-CYBMUJFWSA-N 0 1 279.405 3.504 20 0 CHADMN Cc1sccc1CN1Cc2ccccc2OC[C@@H]1C ZINC000352851448 227328705 /nfs/dbraw/zinc/32/87/05/227328705.db2.gz BJENULIWWMTCQF-LBPRGKRZSA-N 0 1 273.401 3.840 20 0 CHADMN Cc1noc([C@H](C)N[C@@H]2CCCCC23CCCC3)n1 ZINC000329164496 227335609 /nfs/dbraw/zinc/33/56/09/227335609.db2.gz GZMUXGDRSFZYSO-WCQYABFASA-N 0 1 263.385 3.532 20 0 CHADMN Cc1ncsc1CNCc1cscc1C(F)(F)F ZINC000352856536 227341232 /nfs/dbraw/zinc/34/12/32/227341232.db2.gz XJEIDVMJSSYCEY-UHFFFAOYSA-N 0 1 292.351 3.822 20 0 CHADMN Oc1ccccc1-c1n[nH]c(SCCc2ccccc2)n1 ZINC000192945615 227399042 /nfs/dbraw/zinc/39/90/42/227399042.db2.gz ASSZAJIDMADJFW-UHFFFAOYSA-N 0 1 297.383 3.512 20 0 CHADMN Cc1cccc(NCCc2c[nH]c3c2cccc3C)n1 ZINC000302228449 227826143 /nfs/dbraw/zinc/82/61/43/227826143.db2.gz AAPNJGWSCOJZKN-UHFFFAOYSA-N 0 1 265.360 3.834 20 0 CHADMN Cc1cc(C)c(CN[C@H](c2nccn2C)C2CC2)cc1C ZINC000353053923 227942873 /nfs/dbraw/zinc/94/28/73/227942873.db2.gz OQTNNMAUBVQQHC-KRWDZBQOSA-N 0 1 283.419 3.586 20 0 CHADMN Fc1cccc(F)c1CNCC1(C(F)(F)F)CCC1 ZINC000353111931 228059956 /nfs/dbraw/zinc/05/99/56/228059956.db2.gz PBGRRNOLWGSRQX-UHFFFAOYSA-N 0 1 279.252 3.787 20 0 CHADMN CCn1cc(CN[C@H](C)c2cc3cccc(F)c3o2)cn1 ZINC000353206924 228068738 /nfs/dbraw/zinc/06/87/38/228068738.db2.gz HKBVNDXXERVLFX-LLVKDONJSA-N 0 1 287.338 3.639 20 0 CHADMN c1ccc(C[C@H]2CCC[N@@H+](Cc3ccncc3)C2)cc1 ZINC000353388632 228094058 /nfs/dbraw/zinc/09/40/58/228094058.db2.gz NGJODFSWFPSDEL-GOSISDBHSA-N 0 1 266.388 3.536 20 0 CHADMN c1c2cccnc2[nH]c1-c1nc([C@H]2CCCCS2)no1 ZINC000333643710 228207927 /nfs/dbraw/zinc/20/79/27/228207927.db2.gz ISMQNKJONYVLDZ-LLVKDONJSA-N 0 1 286.360 3.571 20 0 CHADMN c1cc2ccc(CN[C@H]3CCSc4ccccc43)nc2[nH]1 ZINC000353616498 228132273 /nfs/dbraw/zinc/13/22/73/228132273.db2.gz CLDBAVMZQOEDKX-HNNXBMFYSA-N 0 1 295.411 3.890 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H]2CCC(C)(C)C2)no1 ZINC000332143168 228149768 /nfs/dbraw/zinc/14/97/68/228149768.db2.gz NUHWBGVGTQLLFF-ZDUSSCGKSA-N 0 1 285.391 3.713 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@H](c2nccn2C)C2CC2)c1 ZINC000353883453 228162301 /nfs/dbraw/zinc/16/23/01/228162301.db2.gz UESGGKRNFCLEOA-PBHICJAKSA-N 0 1 283.419 3.839 20 0 CHADMN C[C@H]1CCC[C@H](N(C)Cc2ncc(Cl)s2)C1 ZINC000351995915 228173405 /nfs/dbraw/zinc/17/34/05/228173405.db2.gz MKTAYEKTCIYYIG-UWVGGRQHSA-N 0 1 258.818 3.807 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2ccc(F)c(C)c2)on1 ZINC000352096172 228181951 /nfs/dbraw/zinc/18/19/51/228181951.db2.gz CWQOXZLATHVADO-HNNXBMFYSA-N 0 1 274.339 3.768 20 0 CHADMN Cc1cc([C@H]2CCC[N@H+]2Cc2ccc3ccccc3n2)on1 ZINC000352097279 228182383 /nfs/dbraw/zinc/18/23/83/228182383.db2.gz QKJAUESLAUXHKF-QGZVFWFLSA-N 0 1 293.370 3.868 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2ccc3ccccc3n2)on1 ZINC000352097279 228182384 /nfs/dbraw/zinc/18/23/84/228182384.db2.gz QKJAUESLAUXHKF-QGZVFWFLSA-N 0 1 293.370 3.868 20 0 CHADMN C[C@H](N[C@H]1COc2ccc(F)cc21)c1cccs1 ZINC000336049038 228182407 /nfs/dbraw/zinc/18/24/07/228182407.db2.gz FKWQFGQBWDLCBI-CABZTGNLSA-N 0 1 263.337 3.672 20 0 CHADMN Cn1ccc(CN2CCCCC[C@H]2c2ccccc2)n1 ZINC000352310304 228218541 /nfs/dbraw/zinc/21/85/41/228218541.db2.gz IPDAFWSQAGXUSZ-KRWDZBQOSA-N 0 1 269.392 3.537 20 0 CHADMN C[C@H]1CCc2ccccc2[C@@H]1NCc1cn2ccccc2n1 ZINC000179395107 260046138 /nfs/dbraw/zinc/04/61/38/260046138.db2.gz UEGCHFSOQWABBZ-IFXJQAMLSA-N 0 1 291.398 3.748 20 0 CHADMN CN(Cc1cccc2[nH]ccc21)Cc1ccccc1F ZINC000179607816 260058526 /nfs/dbraw/zinc/05/85/26/260058526.db2.gz AFKCWJCMIWALGS-UHFFFAOYSA-N 0 1 268.335 3.939 20 0 CHADMN Cc1cccn2c(CN(C)[C@@H](C)c3ccccc3)cnc12 ZINC000179701710 260065432 /nfs/dbraw/zinc/06/54/32/260065432.db2.gz WUDRMGDUUKBIGT-HNNXBMFYSA-N 0 1 279.387 3.836 20 0 CHADMN Cc1c([C@@H](C)N[C@@H](C)c2cc3ccccc3o2)cnn1C ZINC000037167575 260072842 /nfs/dbraw/zinc/07/28/42/260072842.db2.gz RACPCUWKLLXDNV-NEPJUHHUSA-N 0 1 283.375 3.887 20 0 CHADMN CCCC[N@@H+](Cc1ccnn1C)[C@@H](C)c1ccccc1 ZINC000179804575 260073566 /nfs/dbraw/zinc/07/35/66/260073566.db2.gz GSDHOJYIZQMVKI-HNNXBMFYSA-N 0 1 271.408 3.783 20 0 CHADMN COc1ccccc1-c1ccc(CN2CCO[C@@H](C)C2)cc1 ZINC000179865114 260078617 /nfs/dbraw/zinc/07/86/17/260078617.db2.gz OFKUPQPJOLDEBZ-HNNXBMFYSA-N 0 1 297.398 3.583 20 0 CHADMN Cc1ncc(CN[C@@H]2CCSc3ccc(F)cc32)s1 ZINC000037505484 260113670 /nfs/dbraw/zinc/11/36/70/260113670.db2.gz MOEKVDBKHXBWHV-CYBMUJFWSA-N 0 1 294.420 3.917 20 0 CHADMN COc1ncccc1CN[C@H]1CCCCc2ccccc21 ZINC000037650445 260115080 /nfs/dbraw/zinc/11/50/80/260115080.db2.gz UMNATXIYMGBMOO-KRWDZBQOSA-N 0 1 282.387 3.648 20 0 CHADMN CC(C)[C@@H]1CCN(Cc2ccc(Br)o2)C1 ZINC000306518143 260124066 /nfs/dbraw/zinc/12/40/66/260124066.db2.gz BPGNOEVYZVJIIW-SNVBAGLBSA-N 0 1 272.186 3.520 20 0 CHADMN CCCn1ncnc1C[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000447856084 260145875 /nfs/dbraw/zinc/14/58/75/260145875.db2.gz XQNSAFKHMJQKOP-INIZCTEOSA-N 0 1 290.455 3.623 20 0 CHADMN CCCn1ncnc1CN1CCC[C@H]1CCC1CCCC1 ZINC000447856084 260145876 /nfs/dbraw/zinc/14/58/76/260145876.db2.gz XQNSAFKHMJQKOP-INIZCTEOSA-N 0 1 290.455 3.623 20 0 CHADMN CC(C)[C@H](O)C(C)(C)CNCc1ncc(C(C)(C)C)s1 ZINC000447895531 260156084 /nfs/dbraw/zinc/15/60/84/260156084.db2.gz CKZCPPYSDXFYKY-AWEZNQCLSA-N 0 1 298.496 3.573 20 0 CHADMN CC[C@@H](NCc1cccc2cccnc21)c1nccs1 ZINC000078004115 260167694 /nfs/dbraw/zinc/16/76/94/260167694.db2.gz AGCQRIXDLPTMLV-CQSZACIVSA-N 0 1 283.400 3.932 20 0 CHADMN Cc1occc1CN(C)CCSc1ccccc1 ZINC000079618592 260176418 /nfs/dbraw/zinc/17/64/18/260176418.db2.gz ARFCVFSOWVKTTF-UHFFFAOYSA-N 0 1 261.390 3.812 20 0 CHADMN COC[C@H](N[C@@H](C)c1ccccc1OC)c1ccccc1 ZINC000089667770 260192537 /nfs/dbraw/zinc/19/25/37/260192537.db2.gz DWUCELSKLFQVAZ-YOEHRIQHSA-N 0 1 285.387 3.734 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCOC[C@H]1CCCO1 ZINC000525488358 260200946 /nfs/dbraw/zinc/20/09/46/260200946.db2.gz NDRVLLSUDBZQCZ-CZUORRHYSA-N 0 1 297.826 3.528 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809637 260210087 /nfs/dbraw/zinc/21/00/87/260210087.db2.gz IJIZDLQOQSPPFW-NWDGAFQWSA-N 0 1 297.345 3.603 20 0 CHADMN COc1ccc(Br)c(CN(C)CC(C)C)c1 ZINC000087797932 260227723 /nfs/dbraw/zinc/22/77/23/260227723.db2.gz CYIWHKWJKKORIF-UHFFFAOYSA-N 0 1 286.213 3.546 20 0 CHADMN COc1ccc(Br)c(CN(C)C2CCCC2)c1 ZINC000087797915 260227746 /nfs/dbraw/zinc/22/77/46/260227746.db2.gz YNBVCROYDBTBCQ-UHFFFAOYSA-N 0 1 298.224 3.832 20 0 CHADMN COC[C@H](N[C@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000089668369 260237152 /nfs/dbraw/zinc/23/71/52/260237152.db2.gz ZOHMWORGIHKCFB-DYVFJYSZSA-N 0 1 273.351 3.864 20 0 CHADMN COC[C@@H](N[C@@H](C)c1ccc(OC)cc1)c1ccccc1 ZINC000089668802 260237742 /nfs/dbraw/zinc/23/77/42/260237742.db2.gz GHPMALAPZPOJQH-KBXCAEBGSA-N 0 1 285.387 3.734 20 0 CHADMN COc1cccc2cc([C@H](C)NCc3cnccc3C)oc21 ZINC000317525356 260249074 /nfs/dbraw/zinc/24/90/74/260249074.db2.gz GGXAMGNNVSCGOY-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN C[C@@H](Cc1coc2ccccc12)N[C@@H](C)c1ccon1 ZINC000449240330 260304241 /nfs/dbraw/zinc/30/42/41/260304241.db2.gz YLMKKJBUCVWTKZ-RYUDHWBXSA-N 0 1 270.332 3.703 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCCC2(CCCCC2)CC1 ZINC000517949389 260325015 /nfs/dbraw/zinc/32/50/15/260325015.db2.gz UQEOGNCMZMMYRI-HNNXBMFYSA-N 0 1 281.440 3.922 20 0 CHADMN CC[N@@H+](C[C@@H](C)c1ccccc1)C1CCC(C(=O)[O-])CC1 ZINC000517965906 260328449 /nfs/dbraw/zinc/32/84/49/260328449.db2.gz RKSOKYGUGZNTEB-ODIFPOPNSA-N 0 1 289.419 3.755 20 0 CHADMN Clc1ccccc1CCN1Cc2ccccc2C1 ZINC000518003127 260333538 /nfs/dbraw/zinc/33/35/38/260333538.db2.gz GRJZYAVCAVNRAC-UHFFFAOYSA-N 0 1 257.764 3.898 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2NCc1ccccc1F ZINC000126903208 260360452 /nfs/dbraw/zinc/36/04/52/260360452.db2.gz XLSFPUVAKQGHMX-INIZCTEOSA-N 0 1 259.299 3.742 20 0 CHADMN COC(=O)c1coc(CN[C@H](C)c2cc(C)sc2C)c1 ZINC000130429931 260396552 /nfs/dbraw/zinc/39/65/52/260396552.db2.gz OFOKQDKBJBCZNG-SNVBAGLBSA-N 0 1 293.388 3.595 20 0 CHADMN COc1ccc(Br)c(CN(C)C[C@@H]2C[C@@H]2C)c1 ZINC000087798526 260416653 /nfs/dbraw/zinc/41/66/53/260416653.db2.gz JSAMZUFARKUCAV-QWRGUYRKSA-N 0 1 298.224 3.546 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cccc(N(C)C)n2)cc1 ZINC000090852104 260467806 /nfs/dbraw/zinc/46/78/06/260467806.db2.gz OZJIMHZNSZIHLV-CQSZACIVSA-N 0 1 283.419 3.561 20 0 CHADMN Fc1cc([C@@H]2OCC[C@@H]2NCc2ccco2)ccc1Cl ZINC000091068971 260472149 /nfs/dbraw/zinc/47/21/49/260472149.db2.gz VNFCGSLHNVTFGS-GJZGRUSLSA-N 0 1 295.741 3.692 20 0 CHADMN C[C@@H](NC[C@H](C)Sc1ccccc1)c1nccs1 ZINC000091730294 260483628 /nfs/dbraw/zinc/48/36/28/260483628.db2.gz VUHWNNABQKAKKI-NWDGAFQWSA-N 0 1 278.446 3.975 20 0 CHADMN COc1ccc([C@@H](N[C@@H](C)c2cnc(C)cn2)C2CC2)cc1 ZINC000427452417 260741121 /nfs/dbraw/zinc/74/11/21/260741121.db2.gz JEBNFPXMCYMTIH-UGSOOPFHSA-N 0 1 297.402 3.596 20 0 CHADMN CC[C@H](NCc1cccc(C)n1)c1ccc(OC)cc1 ZINC000051573822 260951710 /nfs/dbraw/zinc/95/17/10/260951710.db2.gz XMPTVXJIOVADKW-KRWDZBQOSA-N 0 1 270.376 3.640 20 0 CHADMN CCCCc1noc(CN(CC)[C@H]2CCCC[C@@H]2C)n1 ZINC000444673200 261062343 /nfs/dbraw/zinc/06/23/43/261062343.db2.gz IJXZANCBCPOIOI-KBPBESRZSA-N 0 1 279.428 3.813 20 0 CHADMN C[C@@H](NC[C@H]1CCCO1)c1nc(-c2ccccc2)cs1 ZINC000153143360 261073996 /nfs/dbraw/zinc/07/39/96/261073996.db2.gz SMNRIPBFZWQFSO-TZMCWYRMSA-N 0 1 288.416 3.640 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2ccncc2F)cc1 ZINC000449008581 261082673 /nfs/dbraw/zinc/08/26/73/261082673.db2.gz KADRVUHIKGCGHT-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN CCc1nc2c(s1)[C@@H](NCc1cccc(O)c1)CCC2 ZINC000154423150 261091811 /nfs/dbraw/zinc/09/18/11/261091811.db2.gz PWBGYQBDDHHXED-ZDUSSCGKSA-N 0 1 288.416 3.578 20 0 CHADMN C[C@H]1CCCN1Cc1coc(-c2c(F)cccc2F)n1 ZINC000154727837 261094790 /nfs/dbraw/zinc/09/47/90/261094790.db2.gz UBRQPZZEFYDFJR-JTQLQIEISA-N 0 1 278.302 3.604 20 0 CHADMN Cc1cscc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000161622024 261100112 /nfs/dbraw/zinc/10/01/12/261100112.db2.gz OTDPXHCNHOCTAU-UHFFFAOYSA-N 0 1 287.793 3.511 20 0 CHADMN CC(C)(C)c1cnc(CN2CCC3(CCC3)C2)s1 ZINC000448336071 261117293 /nfs/dbraw/zinc/11/72/93/261117293.db2.gz ZDVGPWMKHKVCOE-UHFFFAOYSA-N 0 1 264.438 3.817 20 0 CHADMN c1cc(CN2CCC[C@H]3CCC[C@H]32)n(-c2ccccc2)n1 ZINC000448336121 261117565 /nfs/dbraw/zinc/11/75/65/261117565.db2.gz ZPQPDVCGISRSKF-CRAIPNDOSA-N 0 1 281.403 3.637 20 0 CHADMN COC[C@H](N[C@H](C)c1sccc1C)c1ccc(C)o1 ZINC000156435050 261123139 /nfs/dbraw/zinc/12/31/39/261123139.db2.gz ZCDNKCNUNRYCHW-OLZOCXBDSA-N 0 1 279.405 3.996 20 0 CHADMN Cc1ccccc1CN[C@H](C)c1cccnc1Cl ZINC000157128896 261140522 /nfs/dbraw/zinc/14/05/22/261140522.db2.gz WLERXVPGEBNLEO-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN CN(Cc1ccco1)Cc1ccccc1N1CCCC1 ZINC000157388329 261145432 /nfs/dbraw/zinc/14/54/32/261145432.db2.gz POXDUVYOZIWFGI-UHFFFAOYSA-N 0 1 270.376 3.512 20 0 CHADMN C[C@@H](N[C@H](C)C1CCCC1)c1nc(C(C)(C)C)no1 ZINC000172168327 261152577 /nfs/dbraw/zinc/15/25/77/261152577.db2.gz AULBEBZLHSKNQA-GHMZBOCLSA-N 0 1 265.401 3.596 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccc(-n3cncn3)cc2)o1 ZINC000158189080 261160994 /nfs/dbraw/zinc/16/09/94/261160994.db2.gz LZCIYLWEBQMNQR-KGLIPLIRSA-N 0 1 296.374 3.581 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2ccccc21)c1ccccn1 ZINC000158913883 261173593 /nfs/dbraw/zinc/17/35/93/261173593.db2.gz IZQXUDKGPKVULX-CZUORRHYSA-N 0 1 268.360 3.646 20 0 CHADMN CC(C)Oc1ccccc1CN1CCC[C@H](n2cccn2)C1 ZINC000102409454 261235337 /nfs/dbraw/zinc/23/53/37/261235337.db2.gz QCARZYXZXHHDJT-KRWDZBQOSA-N 0 1 299.418 3.507 20 0 CHADMN Oc1ccc(Cl)cc1-c1nc([C@H]2CCCS2)no1 ZINC000161650758 261255168 /nfs/dbraw/zinc/25/51/68/261255168.db2.gz PXCLUTNQRQICIT-SNVBAGLBSA-N 0 1 282.752 3.664 20 0 CHADMN Cc1nc(CN2CCS[C@@H]3CCCC[C@@H]32)sc1C ZINC000176391665 261282056 /nfs/dbraw/zinc/28/20/56/261282056.db2.gz MXEHKTYCELXUTB-QWHCGFSZSA-N 0 1 282.478 3.620 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccnc(N3CCCCC3)c2)o1 ZINC000162478459 261282724 /nfs/dbraw/zinc/28/27/24/261282724.db2.gz ZNNDCAFQKHCHQT-HNNXBMFYSA-N 0 1 299.418 3.824 20 0 CHADMN CC[C@H](N[C@H]1CCCc2n[nH]cc21)c1ccc(F)cc1F ZINC000367602996 261301776 /nfs/dbraw/zinc/30/17/76/261301776.db2.gz XNLPLGPDGQGHTD-GJZGRUSLSA-N 0 1 291.345 3.806 20 0 CHADMN CCN(Cc1ccccn1)[C@H](C)c1ccc(F)cc1 ZINC000104948541 261305857 /nfs/dbraw/zinc/30/58/57/261305857.db2.gz CSAHQQDTUXGOPG-CYBMUJFWSA-N 0 1 258.340 3.804 20 0 CHADMN C[C@@H](NCc1ccccc1OC1CCCC1)c1cnn(C)c1 ZINC000164808193 261359426 /nfs/dbraw/zinc/35/94/26/261359426.db2.gz NBNHANQIVFCVCI-CQSZACIVSA-N 0 1 299.418 3.592 20 0 CHADMN CCCCc1noc(CN2CC[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000177550237 261360691 /nfs/dbraw/zinc/36/06/91/261360691.db2.gz JJSGJFSGSNMFRE-HOCLYGCPSA-N 0 1 299.418 3.790 20 0 CHADMN CC[C@@H](NCCC(F)(F)F)c1cc(F)ccc1F ZINC000165475011 261371261 /nfs/dbraw/zinc/37/12/61/261371261.db2.gz VJFWDQWYUZGDDW-LLVKDONJSA-N 0 1 267.241 3.958 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cn3ccccc3n1)CCC2 ZINC000166006109 261382018 /nfs/dbraw/zinc/38/20/18/261382018.db2.gz IIMVNDLHSRXEEG-GOSISDBHSA-N 0 1 291.398 3.810 20 0 CHADMN C[C@H](NCc1ccc(OC(F)F)cc1)c1cncc(F)c1 ZINC000178282439 261384960 /nfs/dbraw/zinc/38/49/60/261384960.db2.gz PXWDBDJORRRZLC-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN C[C@@H](NCc1cccs1)c1cccnc1Cl ZINC000166386844 261388307 /nfs/dbraw/zinc/38/83/07/261388307.db2.gz XDTYXBNDOAFYJK-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN CCc1noc(CC)c1CN[C@@H]1CCc2ccc(C)cc21 ZINC000166981216 261395507 /nfs/dbraw/zinc/39/55/07/261395507.db2.gz RJHXONJQBAJBEP-QGZVFWFLSA-N 0 1 284.403 3.885 20 0 CHADMN Cc1cc(CN(C)Cc2scnc2C)c(C)s1 ZINC000171751812 261480361 /nfs/dbraw/zinc/48/03/61/261480361.db2.gz FKKGGCYVRYSJGO-UHFFFAOYSA-N 0 1 266.435 3.762 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccccc2C)nc1C ZINC000313899315 261540602 /nfs/dbraw/zinc/54/06/02/261540602.db2.gz GKAKYHKWJWPPEO-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN CC1(C)CC[C@H](NCc2ccc(CO)o2)c2ccccc21 ZINC000174352679 261567707 /nfs/dbraw/zinc/56/77/07/261567707.db2.gz MXBIMQHUUYTCMZ-KRWDZBQOSA-N 0 1 285.387 3.674 20 0 CHADMN COc1cccc(CN[C@@H]2CC[C@@H](C)c3ccccc32)n1 ZINC000178755256 261758671 /nfs/dbraw/zinc/75/86/71/261758671.db2.gz UJQNGXQUQAGOKM-CXAGYDPISA-N 0 1 282.387 3.818 20 0 CHADMN CC[C@H](N[C@H](C)c1cn(C)nc1C)c1ccccc1F ZINC000180444292 261860086 /nfs/dbraw/zinc/86/00/86/261860086.db2.gz LOUNQHUCXZMELQ-BZNIZROVSA-N 0 1 275.371 3.670 20 0 CHADMN COC[C@H](N[C@H](C)c1ccc(Cl)nc1)c1ccccc1 ZINC000180844210 261876092 /nfs/dbraw/zinc/87/60/92/261876092.db2.gz JBZZOXXOPYLJEV-DOMZBBRYSA-N 0 1 290.794 3.773 20 0 CHADMN CS[C@H](C)CN[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183807821 261989438 /nfs/dbraw/zinc/98/94/38/261989438.db2.gz CVMQKXYHRSXEGL-MLGOLLRUSA-N 0 1 290.407 3.651 20 0 CHADMN C[C@H](NCc1cccs1)c1ccc(Cl)cn1 ZINC000309739731 262009936 /nfs/dbraw/zinc/00/99/36/262009936.db2.gz DAKVXRSTZKGZSE-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN CC/C=C/CCN[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000184736755 262027988 /nfs/dbraw/zinc/02/79/88/262027988.db2.gz XWJITJMNUPYDBM-URWSZGRFSA-N 0 1 263.385 3.590 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H](C)c3ccccc3)ccc12 ZINC000183875766 262046232 /nfs/dbraw/zinc/04/62/32/262046232.db2.gz ONBVWSBGJBUPNQ-NSHDSACASA-N 0 1 279.343 3.614 20 0 CHADMN C[C@@H](NCc1ncc(-c2ccccc2)cn1)C(C)(C)C ZINC000186052660 262077085 /nfs/dbraw/zinc/07/70/85/262077085.db2.gz ZXYAGLZBVOLUIV-CYBMUJFWSA-N 0 1 269.392 3.668 20 0 CHADMN CC[C@@H](C)[C@H](C)NCc1ncc(-c2ccccc2)cn1 ZINC000186049870 262077264 /nfs/dbraw/zinc/07/72/64/262077264.db2.gz QHVUAFNUVZXVCS-KGLIPLIRSA-N 0 1 269.392 3.668 20 0 CHADMN COc1ccsc1[C@H](C)NCc1cccc(F)c1 ZINC000186096973 262079411 /nfs/dbraw/zinc/07/94/11/262079411.db2.gz MOPQHDHOQIHABM-JTQLQIEISA-N 0 1 265.353 3.747 20 0 CHADMN CCC[C@H](NCc1cc(F)cc(OC)c1)c1cccnc1 ZINC000186216419 262084488 /nfs/dbraw/zinc/08/44/88/262084488.db2.gz FGLBQCDUQCJKGX-KRWDZBQOSA-N 0 1 288.366 3.860 20 0 CHADMN CC(C)c1nc([C@@H](C)NCCc2cccnc2)cs1 ZINC000186235263 262085260 /nfs/dbraw/zinc/08/52/60/262085260.db2.gz GHGOYIMOOZTIRK-GFCCVEGCSA-N 0 1 275.421 3.555 20 0 CHADMN CCC[C@H](N[C@H](CCO)c1ccco1)c1ccccc1 ZINC000186522976 262097320 /nfs/dbraw/zinc/09/73/20/262097320.db2.gz UWMTVILEDUEXFK-JKSUJKDBSA-N 0 1 273.376 3.834 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](CCO)c2ccco2)cc1 ZINC000186532022 262097419 /nfs/dbraw/zinc/09/74/19/262097419.db2.gz CEFDWRUSMXTITK-BBRMVZONSA-N 0 1 273.376 3.616 20 0 CHADMN OCC[C@H](N[C@@H]1CCCCc2ccccc21)c1ccco1 ZINC000186530923 262097489 /nfs/dbraw/zinc/09/74/89/262097489.db2.gz LIUQBVVPOIFMBZ-SJORKVTESA-N 0 1 285.387 3.760 20 0 CHADMN CC[C@H](N[C@@H](CCO)c1ccco1)c1ccc(F)cc1 ZINC000186547242 262098172 /nfs/dbraw/zinc/09/81/72/262098172.db2.gz UHLCTZMNNFVDHM-GJZGRUSLSA-N 0 1 277.339 3.583 20 0 CHADMN CCC(CC)CN1CCc2c(ncn2-c2ccccc2)C1 ZINC000497200043 262103374 /nfs/dbraw/zinc/10/33/74/262103374.db2.gz QWSHNXDGXAHTPU-UHFFFAOYSA-N 0 1 283.419 3.667 20 0 CHADMN CO[C@@H]1C[C@@H](N[C@@H](c2ccccc2)c2ccccn2)C1(C)C ZINC000318920255 262118346 /nfs/dbraw/zinc/11/83/46/262118346.db2.gz XGVPVQNCYWZISF-KURKYZTESA-N 0 1 296.414 3.574 20 0 CHADMN Cc1ccc(C(=O)CCN2CCc3sccc3C2)cc1 ZINC000053934878 262147704 /nfs/dbraw/zinc/14/77/04/262147704.db2.gz FHFYNFWRCMBZDI-UHFFFAOYSA-N 0 1 285.412 3.688 20 0 CHADMN CC[C@H](N[C@H](CCO)c1ccco1)c1cccc(F)c1 ZINC000188479227 262157425 /nfs/dbraw/zinc/15/74/25/262157425.db2.gz GAVLJRWYNMIDGP-LSDHHAIUSA-N 0 1 277.339 3.583 20 0 CHADMN CC(C)[C@H](NCc1cccc(F)c1)c1ccc(F)cn1 ZINC000497526630 262172951 /nfs/dbraw/zinc/17/29/51/262172951.db2.gz TWGKFWJOHGQZBS-INIZCTEOSA-N 0 1 276.330 3.847 20 0 CHADMN Fc1cccc(CNCc2sccc2Cl)c1 ZINC000192994729 262213848 /nfs/dbraw/zinc/21/38/48/262213848.db2.gz DMXJIUXRCLKGGJ-UHFFFAOYSA-N 0 1 255.745 3.830 20 0 CHADMN CC[C@H]1C[C@@]1(NCc1cc(OC)ccn1)c1cccc(C)c1 ZINC000502566875 262222435 /nfs/dbraw/zinc/22/24/35/262222435.db2.gz SUGNZMDLAXYBOT-KXBFYZLASA-N 0 1 296.414 3.814 20 0 CHADMN C[C@H](NCc1ccccn1)c1ccc(OC(F)F)cc1 ZINC000020091656 262228464 /nfs/dbraw/zinc/22/84/64/262228464.db2.gz HPAHAZAEMHHUAH-NSHDSACASA-N 0 1 278.302 3.534 20 0 CHADMN CCc1cnc(CN2CCC[C@H]2Cc2ccc(F)cc2)o1 ZINC000525783350 262232060 /nfs/dbraw/zinc/23/20/60/262232060.db2.gz NKUAPDGMEUCIEA-HNNXBMFYSA-N 0 1 288.366 3.583 20 0 CHADMN CC(C)(C)c1cnc(CN2CCC[C@@H]2C(C)(C)C)o1 ZINC000525783932 262233270 /nfs/dbraw/zinc/23/32/70/262233270.db2.gz WHAHFJJVNHRKDT-GFCCVEGCSA-N 0 1 264.413 3.983 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1cncc(C)c1 ZINC000194939273 262243663 /nfs/dbraw/zinc/24/36/63/262243663.db2.gz BLKBSWYTUSEXET-ZDUSSCGKSA-N 0 1 272.417 3.963 20 0 CHADMN Cc1cscc1NC(=O)c1ccc(O)c(Cl)c1 ZINC000120914226 262245444 /nfs/dbraw/zinc/24/54/44/262245444.db2.gz IJKLRGKXROKGCH-UHFFFAOYSA-N 0 1 267.737 3.668 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CC[C@@H](O)C(C)(C)C1 ZINC000446064149 262270169 /nfs/dbraw/zinc/27/01/69/262270169.db2.gz USKWOKPZUGKQDV-LSDHHAIUSA-N 0 1 283.362 3.509 20 0 CHADMN Oc1cc(F)cc(CNCc2ccc(F)c(Cl)c2)c1 ZINC000184142204 262271400 /nfs/dbraw/zinc/27/14/00/262271400.db2.gz MSPMOINEXOXRTK-UHFFFAOYSA-N 0 1 283.705 3.614 20 0 CHADMN C[C@@H](N[C@H](C)c1cncc(F)c1)c1ccc(F)cc1 ZINC000221766506 262295667 /nfs/dbraw/zinc/29/56/67/262295667.db2.gz HUFJLBQRQHVQMS-GHMZBOCLSA-N 0 1 262.303 3.772 20 0 CHADMN OCc1cccc(CNCc2ccc(Cl)cc2Cl)c1 ZINC000222116471 262306885 /nfs/dbraw/zinc/30/68/85/262306885.db2.gz PYMVEBPDWFBZMR-UHFFFAOYSA-N 0 1 296.197 3.776 20 0 CHADMN CCc1ccc([C@H](COC)N[C@@H]2CS[C@H](C(C)C)C2)o1 ZINC000488436127 262321414 /nfs/dbraw/zinc/32/14/14/262321414.db2.gz XEDMTODYZGKEIY-NOLJZWGESA-N 0 1 297.464 3.649 20 0 CHADMN CCc1ccc([C@H](COC)N[C@H]2CS[C@@H](C(C)C)C2)o1 ZINC000488436126 262321496 /nfs/dbraw/zinc/32/14/96/262321496.db2.gz XEDMTODYZGKEIY-IVMMDQJWSA-N 0 1 297.464 3.649 20 0 CHADMN COc1ccc2c(c1)CN([C@@H](C)c1ccc(F)cc1)CC2 ZINC000521423376 262326170 /nfs/dbraw/zinc/32/61/70/262326170.db2.gz QVAUGLLNQFGRKO-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN C[C@@H]1C[C@H]1CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000488529572 262332171 /nfs/dbraw/zinc/33/21/71/262332171.db2.gz IZHNVMSCIQXEHA-ZLDLUXBVSA-N 0 1 299.336 3.735 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H]1CCCc2ccccc21 ZINC000187100539 262380067 /nfs/dbraw/zinc/38/00/67/262380067.db2.gz KXAQLDVQNZDHLR-SUMWQHHRSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1cc(CNCc2cc(Br)cs2)ccn1 ZINC000391202220 262388604 /nfs/dbraw/zinc/38/86/04/262388604.db2.gz QBJSWKZNOKEWDT-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN CCN1CCCC[C@H]1C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187347592 262399779 /nfs/dbraw/zinc/39/97/79/262399779.db2.gz PYMLRYHOIBRWDY-AWEZNQCLSA-N 0 1 296.361 3.611 20 0 CHADMN Fc1ccc([C@@H]2CCCN2CCc2cncs2)c(F)c1 ZINC000411806910 262707071 /nfs/dbraw/zinc/70/70/71/262707071.db2.gz JVYCKSZGMUDFFQ-HNNXBMFYSA-N 0 1 294.370 3.801 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccn(C)n1)c1ccc2c(c1)CCCC2 ZINC000414077885 262801479 /nfs/dbraw/zinc/80/14/79/262801479.db2.gz ZQIMDLYJZWEVBW-KGLIPLIRSA-N 0 1 283.419 3.711 20 0 CHADMN COc1ccc([C@@H](C)NCc2occc2C)c(C)c1 ZINC000414139483 262809195 /nfs/dbraw/zinc/80/91/95/262809195.db2.gz KTFRWXLRHNTISV-CYBMUJFWSA-N 0 1 259.349 3.756 20 0 CHADMN CC[C@H](CN[C@@H](C)c1csc(-c2ccccc2)n1)OC ZINC000414119679 262812689 /nfs/dbraw/zinc/81/26/89/262812689.db2.gz DONOBAZBMHCJJD-GXTWGEPZSA-N 0 1 290.432 3.886 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccccc2N(C)C)nc1C ZINC000414167170 262820233 /nfs/dbraw/zinc/82/02/33/262820233.db2.gz OTTRPMQCRJIMAE-OAHLLOKOSA-N 0 1 283.419 3.615 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@@H]1CCCC[C@H]1F)CCCO2 ZINC000414281566 262835256 /nfs/dbraw/zinc/83/52/56/262835256.db2.gz GGLHEIUDHONVOF-BZUAXINKSA-N 0 1 293.382 3.779 20 0 CHADMN Cc1ccc(CC[C@H](C)N[C@@H](C)c2csnn2)cc1 ZINC000414297386 262838814 /nfs/dbraw/zinc/83/88/14/262838814.db2.gz HKPAHNDDEWXQLZ-STQMWFEESA-N 0 1 275.421 3.518 20 0 CHADMN C[C@H](CCc1ccccc1)NCc1nnc(C2CC2)s1 ZINC000414334620 262845973 /nfs/dbraw/zinc/84/59/73/262845973.db2.gz XOCJGPIEFWHWFR-GFCCVEGCSA-N 0 1 287.432 3.526 20 0 CHADMN Cc1occc1CN1CCCC[C@@H]1c1cccn1C ZINC000414419067 262912054 /nfs/dbraw/zinc/91/20/54/262912054.db2.gz ZMBQWJQDHRFRJA-MRXNPFEDSA-N 0 1 258.365 3.654 20 0 CHADMN Clc1ccc([C@@H]2CC[C@@H](NCc3csnn3)C2)cc1 ZINC000414499139 262965742 /nfs/dbraw/zinc/96/57/42/262965742.db2.gz JOLQJMUSROLPFM-DGCLKSJQSA-N 0 1 293.823 3.617 20 0 CHADMN Fc1ccc2nc(CN[C@@H]3C[C@H]3c3ccco3)sc2c1 ZINC000414584547 263000346 /nfs/dbraw/zinc/00/03/46/263000346.db2.gz NBSPHJLYXUCYDT-ZYHUDNBSSA-N 0 1 288.347 3.674 20 0 CHADMN Cc1ccc2cc(-c3nc([C@H](N)CC(C)C)no3)ccc2n1 ZINC000414612367 263009723 /nfs/dbraw/zinc/00/97/23/263009723.db2.gz DQEJIJDAWKJPDG-CQSZACIVSA-N 0 1 296.374 3.639 20 0 CHADMN Cc1ccc2[nH]c(-c3nc([C@@H](N)CC(C)C)no3)cc2c1C ZINC000414617291 263010781 /nfs/dbraw/zinc/01/07/81/263010781.db2.gz LBNATPSPEQSEEU-ZDUSSCGKSA-N 0 1 298.390 3.881 20 0 CHADMN CCC[C@H](c1nc([C@@H](N)CC(C)C)no1)C(C)C ZINC000414618551 263012003 /nfs/dbraw/zinc/01/20/03/263012003.db2.gz JVVIZEYLYXAKKE-RYUDHWBXSA-N 0 1 253.390 3.655 20 0 CHADMN NC1(c2noc(-c3cscc3-c3ccccc3)n2)CCC1 ZINC000414622906 263014918 /nfs/dbraw/zinc/01/49/18/263014918.db2.gz CRKATIZYUZJBEZ-UHFFFAOYSA-N 0 1 297.383 3.803 20 0 CHADMN CC(C)C[C@@H](N)c1noc(CC[C@H](C)c2ccccc2)n1 ZINC000414624940 263015088 /nfs/dbraw/zinc/01/50/88/263015088.db2.gz WKHHRPMTMKADMW-DZGCQCFKSA-N 0 1 287.407 3.852 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H]2CCCC(C)(C)C2)n1 ZINC000414627634 263016755 /nfs/dbraw/zinc/01/67/55/263016755.db2.gz ZLBSQROSQWNADH-NWDGAFQWSA-N 0 1 265.401 3.799 20 0 CHADMN NC1(c2noc([C@@H]3CCCC[C@@H]3c3ccccc3)n2)CCC1 ZINC000414628187 263016802 /nfs/dbraw/zinc/01/68/02/263016802.db2.gz NQPONMWYABZACC-HUUCEWRRSA-N 0 1 297.402 3.849 20 0 CHADMN CCc1c2ccccc2oc1-c1nc(C2(N)CCCC2)no1 ZINC000414631821 263017664 /nfs/dbraw/zinc/01/76/64/263017664.db2.gz YEHJOBPJVXNHCX-UHFFFAOYSA-N 0 1 297.358 3.773 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cc2ccccc2s1 ZINC000414670937 263029330 /nfs/dbraw/zinc/02/93/30/263029330.db2.gz AGTRCRPXIXHYBW-NSHDSACASA-N 0 1 277.389 3.586 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(C2CCC2)cc1 ZINC000414687678 263032634 /nfs/dbraw/zinc/03/26/34/263032634.db2.gz XGJAAECRPMRVFW-ZDUSSCGKSA-N 0 1 275.392 3.639 20 0 CHADMN Cc1oc(-c2ccccc2)nc1CN1CCC=C(C)C1 ZINC000280953484 263065499 /nfs/dbraw/zinc/06/54/99/263065499.db2.gz XUYCMPDCZYDFLR-UHFFFAOYSA-N 0 1 268.360 3.802 20 0 CHADMN Cc1cc([C@@H](C)NCC2(c3ccccc3C)CC2)no1 ZINC000283833020 263084615 /nfs/dbraw/zinc/08/46/15/263084615.db2.gz AQVXDAMVPCZQOS-CQSZACIVSA-N 0 1 270.376 3.674 20 0 CHADMN CC[C@@H](CN[C@H](C)c1cc(C)on1)Oc1cccc(F)c1 ZINC000284055409 263085602 /nfs/dbraw/zinc/08/56/02/263085602.db2.gz KMLVPESKSRJDEL-OCCSQVGLSA-N 0 1 292.354 3.630 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnc([C@H](C)O)s2)c(C)s1 ZINC000289308451 263108831 /nfs/dbraw/zinc/10/88/31/263108831.db2.gz RTRWCNXKSQTWIB-ZJUUUORDSA-N 0 1 296.461 3.726 20 0 CHADMN Cc1cc([C@H](C)NC[C@H](C)Sc2ccccc2)no1 ZINC000290614555 263117785 /nfs/dbraw/zinc/11/77/85/263117785.db2.gz IDMQIRPWJHXKSY-STQMWFEESA-N 0 1 276.405 3.814 20 0 CHADMN Clc1ccccc1[C@H]1C[C@H](NCc2cscn2)C1 ZINC000293466217 263140833 /nfs/dbraw/zinc/14/08/33/263140833.db2.gz QOUQLXQXMUAVAG-XYPYZODXSA-N 0 1 278.808 3.832 20 0 CHADMN CCn1cc([C@H](C)N[C@H](C)c2ccc3ccccc3n2)cn1 ZINC000296107833 263185594 /nfs/dbraw/zinc/18/55/94/263185594.db2.gz ZHHMGSFRRVEAAI-UONOGXRCSA-N 0 1 294.402 3.863 20 0 CHADMN CCCN(CCc1cccs1)[C@H](C)c1nc(CC)no1 ZINC000299250283 263236281 /nfs/dbraw/zinc/23/62/81/263236281.db2.gz JRKHUYYIKSVDAG-GFCCVEGCSA-N 0 1 293.436 3.709 20 0 CHADMN CC[C@@]1(CO)CCC[N@H+]([C@@H](C)c2cccc(Cl)c2)C1 ZINC000187560588 263262186 /nfs/dbraw/zinc/26/21/86/263262186.db2.gz LVIBMXDAOFFOSL-XJKSGUPXSA-N 0 1 281.827 3.886 20 0 CHADMN C[C@@H](NC[C@H]1CCC(C)(C)O1)c1nc2c(s1)CCCC2 ZINC000187869731 263282876 /nfs/dbraw/zinc/28/28/76/263282876.db2.gz XTJLERCAUBBDAT-VXGBXAGGSA-N 0 1 294.464 3.630 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@H]1NCc1ccc2ncccc2c1 ZINC000342419858 263425697 /nfs/dbraw/zinc/42/56/97/263425697.db2.gz NMYWUPRIQHOLAA-DJJJIMSYSA-N 0 1 290.366 3.847 20 0 CHADMN Cc1cc(F)c(CN2CCCC3(CCOCC3)C2)c(F)c1 ZINC000425341088 264009152 /nfs/dbraw/zinc/00/91/52/264009152.db2.gz WVIWBRDQZOLFGI-UHFFFAOYSA-N 0 1 295.373 3.666 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H]2CCC[C@@H](C)C2)c1 ZINC000331241210 264177161 /nfs/dbraw/zinc/17/71/61/264177161.db2.gz QCZTXABAHNAELG-YPMHNXCESA-N 0 1 289.375 3.750 20 0 CHADMN Cc1cnc(CN2CC(C)(C)C[C@H]2c2ccccc2)cn1 ZINC000425373702 264202978 /nfs/dbraw/zinc/20/29/78/264202978.db2.gz QMQJCPVFJLHJPU-KRWDZBQOSA-N 0 1 281.403 3.758 20 0 CHADMN CCSc1cccc(CN2CC(CC(F)F)C2)c1 ZINC000425366439 264212229 /nfs/dbraw/zinc/21/22/29/264212229.db2.gz PVPYSDBFYPQFKS-UHFFFAOYSA-N 0 1 271.376 3.886 20 0 CHADMN CC(C)COc1cccc(CN2CC(CC(F)F)C2)c1 ZINC000425367483 264212319 /nfs/dbraw/zinc/21/23/19/264212319.db2.gz SWFCXBBCNGMLCW-UHFFFAOYSA-N 0 1 283.362 3.808 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H](C)c1sc(C)nc1C ZINC000188786795 264242108 /nfs/dbraw/zinc/24/21/08/264242108.db2.gz OKKBSLJUOVYDKG-ZJUUUORDSA-N 0 1 291.420 3.575 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H](C)c1ccc(C)s1 ZINC000188777882 264242466 /nfs/dbraw/zinc/24/24/66/264242466.db2.gz SORGWUHZBZJQDY-NEPJUHHUSA-N 0 1 276.405 3.872 20 0 CHADMN Fc1ccc(CN[C@H]2COCc3ccccc32)cc1Cl ZINC000225998033 264261875 /nfs/dbraw/zinc/26/18/75/264261875.db2.gz PMSCNWCHGUNWHA-INIZCTEOSA-N 0 1 291.753 3.840 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1nc(-c2ccccc2F)no1 ZINC000189019635 264268794 /nfs/dbraw/zinc/26/87/94/264268794.db2.gz JVAXQPMEJKAIKS-VXGBXAGGSA-N 0 1 289.354 3.639 20 0 CHADMN C[C@H]1SCC[N@@H+](Cc2cc(F)cc3cccnc32)[C@H]1C ZINC000118412013 264273633 /nfs/dbraw/zinc/27/36/33/264273633.db2.gz ZVCKRXOMXVCKRU-NWDGAFQWSA-N 0 1 290.407 3.700 20 0 CHADMN COc1ccccc1/C=C\CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000475285319 264294531 /nfs/dbraw/zinc/29/45/31/264294531.db2.gz GKYDOLNSIBQZLC-QZWGFMDZSA-N 0 1 299.336 3.981 20 0 CHADMN CC[C@]1(C)CC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425418579 264296489 /nfs/dbraw/zinc/29/64/89/264296489.db2.gz JBAUNGKNLCBNJQ-GOSISDBHSA-N 0 1 281.403 3.766 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(Cl)cs1 ZINC000252602074 264305098 /nfs/dbraw/zinc/30/50/98/264305098.db2.gz MVEHDDYMNPYOLI-WQAKAFBOSA-N 0 1 299.823 3.619 20 0 CHADMN CC(C)CC[C@@H](NCc1nc(C(F)F)no1)C(C)(C)C ZINC000425431781 264321643 /nfs/dbraw/zinc/32/16/43/264321643.db2.gz AALCCTGUHVSYDN-SNVBAGLBSA-N 0 1 289.370 3.948 20 0 CHADMN CC[N@@H+](Cc1cncc(C)c1)Cc1ccccc1C ZINC000189766225 264333260 /nfs/dbraw/zinc/33/32/60/264333260.db2.gz VUHUQEWNVMRSFC-UHFFFAOYSA-N 0 1 254.377 3.721 20 0 CHADMN COc1c(C)cc(CN(C)Cc2cncc(C)c2)cc1C ZINC000189859367 264335626 /nfs/dbraw/zinc/33/56/26/264335626.db2.gz KOFHRKMZYWMKPV-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN Cc1cccc(C2=CCN(Cc3cncc(C)c3)CC2)c1 ZINC000189986061 264344620 /nfs/dbraw/zinc/34/46/20/264344620.db2.gz SWOBXMVQFIAIBN-UHFFFAOYSA-N 0 1 278.399 3.988 20 0 CHADMN Cc1csc([C@H](C)N[C@@H]2CCc3ccccc32)n1 ZINC000080270668 264392078 /nfs/dbraw/zinc/39/20/78/264392078.db2.gz ALVYGGRYYWKTDY-SMDDNHRTSA-N 0 1 258.390 3.790 20 0 CHADMN COc1ccc([C@H](C)NCc2occc2C)cc1F ZINC000135134062 264555363 /nfs/dbraw/zinc/55/53/63/264555363.db2.gz UKQMJBXMZAJDEK-NSHDSACASA-N 0 1 263.312 3.587 20 0 CHADMN FC1(F)CCC[C@@H](NCc2csc(C3CC3)n2)C1 ZINC000344793238 265066350 /nfs/dbraw/zinc/06/63/50/265066350.db2.gz KXUDCLKFKMHGFH-SNVBAGLBSA-N 0 1 272.364 3.688 20 0 CHADMN CCCC1(CN[C@H](C)c2ncc(C(=O)OC)s2)CCC1 ZINC000314641767 265173745 /nfs/dbraw/zinc/17/37/45/265173745.db2.gz KWTPZXKUWGDJBO-LLVKDONJSA-N 0 1 296.436 3.551 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000514541582 265178243 /nfs/dbraw/zinc/17/82/43/265178243.db2.gz ZFBGLIRYOKFADG-LLVKDONJSA-N 0 1 281.783 3.691 20 0 CHADMN CC[C@H](C)C(=O)Nc1nc(-c2cccc3ccccc32)n[nH]1 ZINC000518857676 265186566 /nfs/dbraw/zinc/18/65/66/265186566.db2.gz RCTDGPMSRLOVBK-NSHDSACASA-N 0 1 294.358 3.610 20 0 CHADMN O=C(c1cnc[nH]1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000335803565 265210758 /nfs/dbraw/zinc/21/07/58/265210758.db2.gz AYPPQMCTHMCXGX-SIFUEBAJSA-N 0 1 295.386 3.508 20 0 CHADMN C[C@H]1C[C@H](C)N1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000335822481 265217219 /nfs/dbraw/zinc/21/72/19/265217219.db2.gz KCSXWQNCFNPDDH-YUMQZZPRSA-N 0 1 294.305 3.515 20 0 CHADMN C[C@H]1CCC[C@H]1Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000519030915 265300340 /nfs/dbraw/zinc/30/03/40/265300340.db2.gz VYJLPPMTFJMXAF-QWRGUYRKSA-N 0 1 282.347 3.592 20 0 CHADMN CC[N@@H+](Cc1ccccc1)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000011829262 265306626 /nfs/dbraw/zinc/30/66/26/265306626.db2.gz MDDALCLQGYKPKR-GFCCVEGCSA-N 0 1 273.332 3.561 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCCC[C@@H]2C(F)(F)F)nn1C ZINC000519600615 265497348 /nfs/dbraw/zinc/49/73/48/265497348.db2.gz NZDSUDDGXRSISG-GRYCIOLGSA-N 0 1 289.345 3.500 20 0 CHADMN CCN(CC(=O)Nc1cccc(C)c1)Cc1ccc(C)cc1 ZINC000520183844 265671307 /nfs/dbraw/zinc/67/13/07/265671307.db2.gz RAEJUINMTMEIAI-UHFFFAOYSA-N 0 1 296.414 3.764 20 0 CHADMN Cc1nnc([C@H](C)NCCc2ccc(F)cc2Cl)s1 ZINC000356440209 266114693 /nfs/dbraw/zinc/11/46/93/266114693.db2.gz PNOXMOAWEOTOIP-QMMMGPOBSA-N 0 1 299.802 3.532 20 0 CHADMN c1cncc(-c2n[nH]c(SCCC3CCCC3)n2)c1 ZINC000356585306 266142785 /nfs/dbraw/zinc/14/27/85/266142785.db2.gz WPQGZKXRTLOQDI-UHFFFAOYSA-N 0 1 274.393 3.539 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CC[C@H](C)C3(CCC3)C2)c1 ZINC000356878551 266202209 /nfs/dbraw/zinc/20/22/09/266202209.db2.gz PVGDXPCXFZSZLB-ZDUSSCGKSA-N 0 1 297.402 3.524 20 0 CHADMN CC=CC=Cc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000356922478 266211217 /nfs/dbraw/zinc/21/12/17/266211217.db2.gz ATEVXNGVYRJYEZ-ICWBMWKASA-N 0 1 266.304 3.511 20 0 CHADMN Fc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)c(F)c1 ZINC000356957650 266218149 /nfs/dbraw/zinc/21/81/49/266218149.db2.gz AZUJFLYKMJPDCX-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN Cc1cnc([C@H](C)N2CCC[C@H]2c2cccc(N(C)C)c2)o1 ZINC000356988510 266225460 /nfs/dbraw/zinc/22/54/60/266225460.db2.gz QZMMFWKEBZATFX-YOEHRIQHSA-N 0 1 299.418 3.947 20 0 CHADMN CC[C@]1(C)C[C@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000356996533 266227539 /nfs/dbraw/zinc/22/75/39/266227539.db2.gz UEKXQXLODZNMGH-ZUZCIYMTSA-N 0 1 268.320 3.517 20 0 CHADMN Cc1cc(C(=O)CN(C)[C@@H](C)C2CCC2)c(C)n1C1CC1 ZINC000357020349 266232785 /nfs/dbraw/zinc/23/27/85/266232785.db2.gz FNLYVOOUBUNIGY-ZDUSSCGKSA-N 0 1 288.435 3.743 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H]3CCC[C@@H](C)C3)cc2[nH]1 ZINC000357024471 266234931 /nfs/dbraw/zinc/23/49/31/266234931.db2.gz DUMPORWUVYKXLW-ZYHUDNBSSA-N 0 1 271.364 3.636 20 0 CHADMN CN(C)Cc1cc(-c2noc(C3CCCC3)n2)ccc1F ZINC000357031604 266236799 /nfs/dbraw/zinc/23/67/99/266236799.db2.gz QLJSGLTXERBNCY-UHFFFAOYSA-N 0 1 289.354 3.595 20 0 CHADMN CCOCc1ccc(CNc2ccnc(C)c2Cl)cc1 ZINC000357321688 266274654 /nfs/dbraw/zinc/27/46/54/266274654.db2.gz GJGBSLWZOSXYPL-UHFFFAOYSA-N 0 1 290.794 3.614 20 0 CHADMN C[C@@]1(NCc2csc(-c3ccsc3)n2)CCCOC1 ZINC000357345771 266280454 /nfs/dbraw/zinc/28/04/54/266280454.db2.gz OOAVBUCZNJDGQL-CQSZACIVSA-N 0 1 294.445 3.530 20 0 CHADMN C[C@H]1C[C@H](C(=O)Nc2ccc3nc[nH]c3c2)C[C@@H](C)C1 ZINC000357348761 266281892 /nfs/dbraw/zinc/28/18/92/266281892.db2.gz SBTLZYYJUNJLSI-GDNZZTSVSA-N 0 1 271.364 3.574 20 0 CHADMN CSc1cc(CNCc2cnc(C(C)C)s2)ccn1 ZINC000357366456 266284179 /nfs/dbraw/zinc/28/41/79/266284179.db2.gz MBAMJUNWOHAUFP-UHFFFAOYSA-N 0 1 293.461 3.673 20 0 CHADMN CSc1cc(CNCc2cc(C)ccc2F)ccn1 ZINC000357370194 266285497 /nfs/dbraw/zinc/28/54/97/266285497.db2.gz PZCVUHQQWFGNAS-UHFFFAOYSA-N 0 1 276.380 3.541 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)N1CCC[C@H](C)CC1 ZINC000357388699 266288350 /nfs/dbraw/zinc/28/83/50/266288350.db2.gz KPIAEEAVAWDMOR-NWDGAFQWSA-N 0 1 291.420 3.981 20 0 CHADMN CCc1nnc([C@H](C)N2CCC[C@@]3(CC=CCC3)C2)o1 ZINC000114495217 266308936 /nfs/dbraw/zinc/30/89/36/266308936.db2.gz NDHJFSDAPMRPIU-BBRMVZONSA-N 0 1 275.396 3.515 20 0 CHADMN COC(=O)c1cc(F)ccc1CN1CCCC(C)(C)CC1 ZINC000357803918 266368249 /nfs/dbraw/zinc/36/82/49/266368249.db2.gz KNCCZGNVDIQCSF-UHFFFAOYSA-N 0 1 293.382 3.624 20 0 CHADMN CSc1cc(CN[C@@H](C)c2ccc(F)c(F)c2)ccn1 ZINC000357845810 266376763 /nfs/dbraw/zinc/37/67/63/266376763.db2.gz BLTOFXZWOBLZNI-JTQLQIEISA-N 0 1 294.370 3.933 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](CCO)c2ccccc2)o1 ZINC000361891167 266900318 /nfs/dbraw/zinc/90/03/18/266900318.db2.gz VJFBOWFGDILYFE-CJNGLKHVSA-N 0 1 273.376 3.616 20 0 CHADMN CC(C)(C)OCc1cc(CN[C@H]2CCC(C)(C)C2)no1 ZINC000362523021 267000040 /nfs/dbraw/zinc/00/00/40/267000040.db2.gz CXXCAWFTWRBZNU-LBPRGKRZSA-N 0 1 280.412 3.658 20 0 CHADMN CCc1oc2ccccc2c1CN1CCO[C@H](C2CC2)C1 ZINC000362527885 267000927 /nfs/dbraw/zinc/00/09/27/267000927.db2.gz GVCNKHCZSMDORV-SFHVURJKSA-N 0 1 285.387 3.606 20 0 CHADMN CCn1nc(C)c(CN2CCc3c(C)cc(C)cc3C2)c1C ZINC000362529250 267002023 /nfs/dbraw/zinc/00/20/23/267002023.db2.gz QQDWXWHGRFBVHV-UHFFFAOYSA-N 0 1 297.446 3.695 20 0 CHADMN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1nc(C)c(C)s1 ZINC000362547901 267006538 /nfs/dbraw/zinc/00/65/38/267006538.db2.gz NRUIHFVYFKKPEK-KBPBESRZSA-N 0 1 296.480 3.785 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2coc3ccccc23)n[nH]1 ZINC000362987885 267070469 /nfs/dbraw/zinc/07/04/69/267070469.db2.gz VZXQZSUNUXSCNQ-RYUDHWBXSA-N 0 1 298.390 3.915 20 0 CHADMN CC1(C)CN(Cc2cc3ccccc3[nH]2)[C@H]1[C@H]1CCCO1 ZINC000367945340 267129579 /nfs/dbraw/zinc/12/95/79/267129579.db2.gz VZODFKQHMQUWID-SJORKVTESA-N 0 1 284.403 3.557 20 0 CHADMN CC(C)n1ncc2c1[C@H](N[C@@H](C)c1cccnc1)CCC2 ZINC000368133881 267147355 /nfs/dbraw/zinc/14/73/55/267147355.db2.gz HVQCKSGUKSRART-XJKSGUPXSA-N 0 1 284.407 3.587 20 0 CHADMN CC(C)n1ncc2c1[C@@H](N[C@H](C)c1cccnc1)CCC2 ZINC000368133879 267147874 /nfs/dbraw/zinc/14/78/74/267147874.db2.gz HVQCKSGUKSRART-CJNGLKHVSA-N 0 1 284.407 3.587 20 0 CHADMN c1csc(-c2nc(CN3CCCC34CCC4)co2)c1 ZINC000368439885 267173106 /nfs/dbraw/zinc/17/31/06/267173106.db2.gz YVPUXHSDMKXLBR-UHFFFAOYSA-N 0 1 274.389 3.922 20 0 CHADMN CCc1nc(CN2CCCC[C@H]2C(C)C)cs1 ZINC000117347971 267211839 /nfs/dbraw/zinc/21/18/39/267211839.db2.gz ZYJCBZRYMIYJDA-ZDUSSCGKSA-N 0 1 252.427 3.716 20 0 CHADMN COc1ccc2c(c1)OCC[C@@H]2N[C@@H](C)c1cccc(O)c1 ZINC000369106554 267221319 /nfs/dbraw/zinc/22/13/19/267221319.db2.gz JPBFVRLQULXIPP-SJCJKPOMSA-N 0 1 299.370 3.575 20 0 CHADMN Cc1nn(C(C)C)cc1CN1C[C@H](C)C[C@H]1c1cccnc1 ZINC000369206420 267225945 /nfs/dbraw/zinc/22/59/45/267225945.db2.gz VMQPTTPLVGXXTO-KDOFPFPSSA-N 0 1 298.434 3.751 20 0 CHADMN c1cc(Oc2ccccc2)oc1CN1CCC12CCOCC2 ZINC000370083063 267289624 /nfs/dbraw/zinc/28/96/24/267289624.db2.gz PAYJIRDDXGZSOJ-UHFFFAOYSA-N 0 1 299.370 3.827 20 0 CHADMN Fc1ccc(Cl)cc1CNCCC(F)(F)F ZINC000119421634 267333976 /nfs/dbraw/zinc/33/39/76/267333976.db2.gz MEWALJDUSGTBPL-UHFFFAOYSA-N 0 1 255.642 3.521 20 0 CHADMN CC(C)c1nc(CN2CC[C@H](C3CCOCC3)C2)cs1 ZINC000371067498 267349567 /nfs/dbraw/zinc/34/95/67/267349567.db2.gz XBWGCROKPQPEMQ-AWEZNQCLSA-N 0 1 294.464 3.515 20 0 CHADMN COCCCCN(C)Cc1ccc(F)c(Cl)c1Cl ZINC000418142140 267363909 /nfs/dbraw/zinc/36/39/09/267363909.db2.gz HBFHGVYGIWFJNT-UHFFFAOYSA-N 0 1 294.197 3.991 20 0 CHADMN Fc1ccc(CN2CCC(c3cccc(F)c3)CC2)nc1 ZINC000373741341 267706644 /nfs/dbraw/zinc/70/66/44/267706644.db2.gz LMHBPRQGEQHZIW-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1cccc([C@H](N[C@H](C)COC(C)C)c2ccccn2)c1 ZINC000375596055 267876039 /nfs/dbraw/zinc/87/60/39/267876039.db2.gz HBUYKFAILKQWDF-APWZRJJASA-N 0 1 298.430 3.883 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(Cl)nc1)c1cccnc1 ZINC000179096403 327799238 /nfs/dbraw/zinc/79/92/38/327799238.db2.gz PWQOHEHVHIOLDX-QWRGUYRKSA-N 0 1 261.756 3.542 20 0 CHADMN CC[C@@H](NC[C@@H](O)c1ccc(C)cc1)c1nc(C)cs1 ZINC000184380002 327827484 /nfs/dbraw/zinc/82/74/84/327827484.db2.gz WJHOUEOUTSOGNB-HUUCEWRRSA-N 0 1 290.432 3.534 20 0 CHADMN CC[C@H](N[C@H](c1ccc(F)cc1)C(C)C)c1ccn(C)n1 ZINC000503887642 327869851 /nfs/dbraw/zinc/86/98/51/327869851.db2.gz RNQBZXFFWZNEPZ-RDJZCZTQSA-N 0 1 289.398 3.997 20 0 CHADMN CCOc1cc2c(cc1CNCc1ccccc1)O[C@H](C)C2 ZINC000020542540 327910750 /nfs/dbraw/zinc/91/07/50/327910750.db2.gz VUKNOFHSJMKVDF-CQSZACIVSA-N 0 1 297.398 3.699 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H](C)c1ccccc1C ZINC000187073856 327942526 /nfs/dbraw/zinc/94/25/26/327942526.db2.gz FHGIGAPLBMTCNN-KBPBESRZSA-N 0 1 270.376 3.810 20 0 CHADMN CC[C@H](C)C[N@@H+](C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000563278671 328006860 /nfs/dbraw/zinc/00/68/60/328006860.db2.gz LYZWBYWVCCKLQV-JTQLQIEISA-N 0 1 269.772 3.516 20 0 CHADMN C[N@@H+](CCC1CCCCC1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000563278768 328006955 /nfs/dbraw/zinc/00/69/55/328006955.db2.gz MJRPUYWYPXITED-MRXNPFEDSA-N 0 1 293.382 3.854 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H]2C2CCCCC2)oc1C(=O)[O-] ZINC000563279357 328007024 /nfs/dbraw/zinc/00/70/24/328007024.db2.gz ZYYITJVRDGBYAS-OAHLLOKOSA-N 0 1 291.391 3.831 20 0 CHADMN CC(C)[C@@H]1CCCC[N@H+]1CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000563280645 328007425 /nfs/dbraw/zinc/00/74/25/328007425.db2.gz ZBNABYUCEPECHM-SJORKVTESA-N 0 1 289.419 3.755 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@@H](C)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000563282080 328007514 /nfs/dbraw/zinc/00/75/14/328007514.db2.gz MPCLPMWURMFPPL-AAEUAGOBSA-N 0 1 279.380 3.859 20 0 CHADMN c1c(CN[C@@H](CC2CC2)c2ccccc2)nc2ccccn12 ZINC000531677193 328023024 /nfs/dbraw/zinc/02/30/24/328023024.db2.gz HKISHACCQAGJJW-SFHVURJKSA-N 0 1 291.398 3.965 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1ccsc1 ZINC000063152466 328037712 /nfs/dbraw/zinc/03/77/12/328037712.db2.gz NPGIMARVDLUIML-LBPRGKRZSA-N 0 1 261.390 3.916 20 0 CHADMN C[C@@H](NCc1ccc2[nH]cnc2c1)c1cccc(F)c1F ZINC000534299119 328044083 /nfs/dbraw/zinc/04/40/83/328044083.db2.gz KDILDBMFUPGIHZ-SNVBAGLBSA-N 0 1 287.313 3.692 20 0 CHADMN C[C@@H](NCc1ccc2nc[nH]c2c1)c1cccc(F)c1F ZINC000534299119 328044084 /nfs/dbraw/zinc/04/40/84/328044084.db2.gz KDILDBMFUPGIHZ-SNVBAGLBSA-N 0 1 287.313 3.692 20 0 CHADMN CCC[N@@H+](Cc1ccnn1CC)Cc1ccc(C)cc1 ZINC000534332951 328045316 /nfs/dbraw/zinc/04/53/16/328045316.db2.gz VIOYCKOIOGNTOG-UHFFFAOYSA-N 0 1 271.408 3.624 20 0 CHADMN CCCN(Cc1ccnn1CC)Cc1ccc(C)cc1 ZINC000534332951 328045317 /nfs/dbraw/zinc/04/53/17/328045317.db2.gz VIOYCKOIOGNTOG-UHFFFAOYSA-N 0 1 271.408 3.624 20 0 CHADMN Cc1ccsc1CN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000534342256 328049969 /nfs/dbraw/zinc/04/99/69/328049969.db2.gz CXBVRWPJAIHSJW-LLVKDONJSA-N 0 1 293.354 3.600 20 0 CHADMN COc1ccc([C@H](C)NCc2noc3ccccc23)c(C)c1 ZINC000563419336 328063586 /nfs/dbraw/zinc/06/35/86/328063586.db2.gz USZATGNPVBGSNG-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN CCCCC[N@@H+](CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC000563454574 328067618 /nfs/dbraw/zinc/06/76/18/328067618.db2.gz FYNSNXKYZJQWJJ-OAHLLOKOSA-N 0 1 263.381 3.715 20 0 CHADMN CC(C)O[C@@H]1CCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000563532639 328072229 /nfs/dbraw/zinc/07/22/29/328072229.db2.gz KQEJTAGVVPOLPP-WCQYABFASA-N 0 1 269.335 3.525 20 0 CHADMN CC(C)CC[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000571172184 328090425 /nfs/dbraw/zinc/09/04/25/328090425.db2.gz PQZCXWZXWUYNEX-OAHLLOKOSA-N 0 1 293.382 3.925 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000571171900 328090438 /nfs/dbraw/zinc/09/04/38/328090438.db2.gz CNRUDIIWUNFRCY-DLBZAZTESA-N 0 1 289.419 3.900 20 0 CHADMN Cc1sc(NC(=O)CN2CC(C)(C)C[C@@H]2C)c(C)c1C ZINC000412033735 328101842 /nfs/dbraw/zinc/10/18/42/328101842.db2.gz DMDKLSYDKNAVKP-JTQLQIEISA-N 0 1 294.464 3.732 20 0 CHADMN CCN(Cc1nc2ccccc2n1C)C1CC(C)(C)C1 ZINC000412042946 328102444 /nfs/dbraw/zinc/10/24/44/328102444.db2.gz VTIMTPQENUATAI-UHFFFAOYSA-N 0 1 271.408 3.584 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1CC(C)(C)C[C@H]1C ZINC000412043937 328102615 /nfs/dbraw/zinc/10/26/15/328102615.db2.gz OGHDLANIUMILIA-MNOVXSKESA-N 0 1 291.420 3.980 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1CC(C)(C)C[C@@H]1C ZINC000412043940 328102715 /nfs/dbraw/zinc/10/27/15/328102715.db2.gz OGHDLANIUMILIA-QWRGUYRKSA-N 0 1 291.420 3.980 20 0 CHADMN Cc1nc(CN[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)cs1 ZINC000412066185 328103701 /nfs/dbraw/zinc/10/37/01/328103701.db2.gz GDGQIVRQRRDWCJ-OLZOCXBDSA-N 0 1 282.453 3.523 20 0 CHADMN CC[C@H]1CC[C@@H]1Nc1ccccc1CN1CCSCC1 ZINC000571311531 328104422 /nfs/dbraw/zinc/10/44/22/328104422.db2.gz LGRFCDHSRKDLKB-YOEHRIQHSA-N 0 1 290.476 3.836 20 0 CHADMN COc1ccc(CNCc2ccc(C)c(C)c2)c(OC)c1 ZINC000069782676 328116486 /nfs/dbraw/zinc/11/64/86/328116486.db2.gz HCUNBEQXZKVZMJ-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000571410349 328120054 /nfs/dbraw/zinc/12/00/54/328120054.db2.gz RXJMMGXIXUEJCU-IEBWSBKVSA-N 0 1 299.414 3.943 20 0 CHADMN CCc1nc(C)c(CN[C@H](C)c2ccc(C)s2)o1 ZINC000291831978 328122406 /nfs/dbraw/zinc/12/24/06/328122406.db2.gz FHNVMWDMBFTYJR-LLVKDONJSA-N 0 1 264.394 3.766 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC1(C)CCC1 ZINC000571464260 328123705 /nfs/dbraw/zinc/12/37/05/328123705.db2.gz UAZFRXIXXCYKQO-OAHLLOKOSA-N 0 1 275.392 3.715 20 0 CHADMN C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000571529529 328132132 /nfs/dbraw/zinc/13/21/32/328132132.db2.gz MGPGWBYZSXSDLL-GFCCVEGCSA-N 0 1 287.359 3.681 20 0 CHADMN Fc1cc(Cl)cc(CN2CCOC[C@H](C3CCC3)C2)c1 ZINC000430123235 328136171 /nfs/dbraw/zinc/13/61/71/328136171.db2.gz PSKGMVMLCGKXMV-CQSZACIVSA-N 0 1 297.801 3.728 20 0 CHADMN CCN(Cc1cc(F)ccc1Br)CC1CC1 ZINC000261467160 328138234 /nfs/dbraw/zinc/13/82/34/328138234.db2.gz ODACSVZQCYPZLG-UHFFFAOYSA-N 0 1 286.188 3.820 20 0 CHADMN C[C@@H]1C[C@@H](CNc2ccnc3cc(F)ccc32)[C@H](C)O1 ZINC000413529956 328148672 /nfs/dbraw/zinc/14/86/72/328148672.db2.gz JFZNRSRCGVWEIA-WOPDTQHZSA-N 0 1 274.339 3.599 20 0 CHADMN Cc1ccccc1[C@H](N[C@H](C)c1cc2n(n1)CCC2)C1CC1 ZINC000414112692 328152879 /nfs/dbraw/zinc/15/28/79/328152879.db2.gz KABJBGZSYZEZOR-AUUYWEPGSA-N 0 1 295.430 3.940 20 0 CHADMN CC(C)CC[C@@H]1CC[C@@H](N[C@H](C)c2csnn2)C1 ZINC000414303269 328153957 /nfs/dbraw/zinc/15/39/57/328153957.db2.gz NHJXCIHZDNGJSU-JHJVBQTASA-N 0 1 267.442 3.794 20 0 CHADMN CCc1ncc(CN[C@H](CC)c2ccc(Cl)s2)cn1 ZINC000414393537 328162333 /nfs/dbraw/zinc/16/23/33/328162333.db2.gz OBTNWCZVRDOSTH-LLVKDONJSA-N 0 1 295.839 3.995 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2ccccc2SC)cn1 ZINC000414447890 328175901 /nfs/dbraw/zinc/17/59/01/328175901.db2.gz LWZAGBHGTPXJFI-LBPRGKRZSA-N 0 1 287.432 3.612 20 0 CHADMN C[C@@H](N[C@@H]1CCc2c1cccc2F)c1cncs1 ZINC000269015049 328188660 /nfs/dbraw/zinc/18/86/60/328188660.db2.gz OIKXMJRUJJZRAC-NOZJJQNGSA-N 0 1 262.353 3.620 20 0 CHADMN CC[C@H](NCc1cc2c(cc1OC)OCO2)c1ccccc1 ZINC000414497611 328189533 /nfs/dbraw/zinc/18/95/33/328189533.db2.gz UHPACSFAMWSTQH-HNNXBMFYSA-N 0 1 299.370 3.665 20 0 CHADMN CC[C@H](NCc1ccn(C(F)F)n1)c1ccccc1 ZINC000414497565 328189554 /nfs/dbraw/zinc/18/95/54/328189554.db2.gz TZGAVLBWJZVSGF-ZDUSSCGKSA-N 0 1 265.307 3.519 20 0 CHADMN Cc1ccncc1CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000269451466 328190497 /nfs/dbraw/zinc/19/04/97/328190497.db2.gz VWIXOVBCCXIETD-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN C[C@@H](NCCCO[C@H](C)c1ccccc1)c1cscn1 ZINC000271136675 328194955 /nfs/dbraw/zinc/19/49/55/328194955.db2.gz NGSAAOJKHFAPQW-ZIAGYGMSSA-N 0 1 290.432 3.962 20 0 CHADMN CCSc1cccc(-c2nc([C@H](N)CC(C)C)no2)c1 ZINC000414620564 328204462 /nfs/dbraw/zinc/20/44/62/328204462.db2.gz QBWCWAYOYDFWOJ-CYBMUJFWSA-N 0 1 291.420 3.895 20 0 CHADMN Cc1cc([C@@H](C)NCc2c(C)cc(C)cc2C)nn1C ZINC000282225388 328241685 /nfs/dbraw/zinc/24/16/85/328241685.db2.gz PCMAQEHIRDRZQI-OAHLLOKOSA-N 0 1 271.408 3.505 20 0 CHADMN CC(C)c1cnc(NC(=O)c2c[nH]nc2C(C)(C)C)s1 ZINC000293420565 328275839 /nfs/dbraw/zinc/27/58/39/328275839.db2.gz UVEFBWYNOFHHRS-UHFFFAOYSA-N 0 1 292.408 3.539 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H]1CN(C)Cc2ccccc21 ZINC000366701264 328282639 /nfs/dbraw/zinc/28/26/39/328282639.db2.gz YONDLPXIXAHWHG-KSSFIOAISA-N 0 1 296.414 3.533 20 0 CHADMN CCCc1ncc(CN[C@H](CC)c2ccccc2)o1 ZINC000453399288 328300764 /nfs/dbraw/zinc/30/07/64/328300764.db2.gz XJWJORMCSUXXFZ-OAHLLOKOSA-N 0 1 258.365 3.868 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1nccnc1C)c1ccccc1 ZINC000187699042 328300841 /nfs/dbraw/zinc/30/08/41/328300841.db2.gz HEXUQELPLDZRKV-GOEBONIOSA-N 0 1 269.392 3.977 20 0 CHADMN Cc1ccccc1-c1cnc(CN(C)CCC2CC2)o1 ZINC000534530218 328305031 /nfs/dbraw/zinc/30/50/31/328305031.db2.gz VPUXNWKUKKMLJJ-UHFFFAOYSA-N 0 1 270.376 3.882 20 0 CHADMN CC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1cccs1 ZINC000048481987 328308828 /nfs/dbraw/zinc/30/88/28/328308828.db2.gz YLZZNFFVBVUACG-LLVKDONJSA-N 0 1 295.791 3.988 20 0 CHADMN CC[C@H](C)N(C)CC(=O)N(CC)c1cccc2ccccc21 ZINC000110796918 328319493 /nfs/dbraw/zinc/31/94/93/328319493.db2.gz OFQVZASIDGYJOG-HNNXBMFYSA-N 0 1 298.430 3.923 20 0 CHADMN CCC[C@H](CC1CCCCC1)C(=O)N1CCCN(C)CC1 ZINC000534601401 328320360 /nfs/dbraw/zinc/32/03/60/328320360.db2.gz UEUBIUOSAVAJFS-QGZVFWFLSA-N 0 1 294.483 3.537 20 0 CHADMN C[C@@H]1CC[C@H](CC(=O)Nc2cccc(Cl)c2O)C1 ZINC000534701852 328357461 /nfs/dbraw/zinc/35/74/61/328357461.db2.gz ZBKVXPNOBZWPCJ-ZJUUUORDSA-N 0 1 267.756 3.810 20 0 CHADMN CCCCc1nc2ccc(NC(=O)[C@@H](C)SC)cc2[nH]1 ZINC000049486869 328363842 /nfs/dbraw/zinc/36/38/42/328363842.db2.gz RLZGXBYACFSEMW-SNVBAGLBSA-N 0 1 291.420 3.596 20 0 CHADMN CCCN(C)[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000049480375 328364597 /nfs/dbraw/zinc/36/45/97/328364597.db2.gz BQRLGFAQJRATPP-VIFPVBQESA-N 0 1 289.206 3.662 20 0 CHADMN CC(C)CCc1noc(-c2cc(Cl)ccc2O)n1 ZINC000111689278 328374991 /nfs/dbraw/zinc/37/49/91/328374991.db2.gz WVJRCAVICROOLD-UHFFFAOYSA-N 0 1 266.728 3.684 20 0 CHADMN FC(F)Oc1ccccc1CN1CCC(C(F)F)CC1 ZINC000531982009 328375899 /nfs/dbraw/zinc/37/58/99/328375899.db2.gz FITGQGFBHHKNIP-UHFFFAOYSA-N 0 1 291.288 3.765 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1nc(C(C)(C)C)no1 ZINC000532013713 328391775 /nfs/dbraw/zinc/39/17/75/328391775.db2.gz PTAQLLQZBGMOFN-CYBMUJFWSA-N 0 1 279.428 3.912 20 0 CHADMN CC(C)(C)C1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000050348899 328398084 /nfs/dbraw/zinc/39/80/84/328398084.db2.gz JWAAGWSZXZKWBJ-UHFFFAOYSA-N 0 1 295.810 3.944 20 0 CHADMN C[C@H](O)[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000305159749 328394598 /nfs/dbraw/zinc/39/45/98/328394598.db2.gz DWVXKIMEYNKADS-JQWIXIFHSA-N 0 1 288.218 3.586 20 0 CHADMN Cc1cncc([C@@H](C)N[C@@H](C)c2cnn(C(C)C)c2)c1 ZINC000546645940 328395725 /nfs/dbraw/zinc/39/57/25/328395725.db2.gz UYRVSUXPRWBHLF-KGLIPLIRSA-N 0 1 272.396 3.579 20 0 CHADMN Cc1ccc([C@@H]2CCC[C@H]2N(C)Cc2nccc(C)n2)cc1 ZINC000535207864 328395728 /nfs/dbraw/zinc/39/57/28/328395728.db2.gz SSFQZMCMYGNCNP-ZWKOTPCHSA-N 0 1 295.430 3.862 20 0 CHADMN CC1=CCN(CCSc2ccccc2F)CC1 ZINC000535206304 328395780 /nfs/dbraw/zinc/39/57/80/328395780.db2.gz MQUMVYODLVWELX-UHFFFAOYSA-N 0 1 251.370 3.570 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1ccc(F)c(C)c1 ZINC000050544663 328442598 /nfs/dbraw/zinc/44/25/98/328442598.db2.gz CPCJANAXFYVFJY-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN Cc1nsc(C)c1CN1CCC(C(F)(F)F)CC1 ZINC000563852947 328525819 /nfs/dbraw/zinc/52/58/19/328525819.db2.gz VSWRBOZWEDQYRO-UHFFFAOYSA-N 0 1 278.343 3.534 20 0 CHADMN Cn1ccnc1[C@@H](N[C@H]1CCC12CCCC2)c1ccccc1 ZINC000530439865 326805982 /nfs/dbraw/zinc/80/59/82/326805982.db2.gz WAMZEXWLSBOFBO-IRXDYDNUSA-N 0 1 295.430 3.822 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(Cl)c(F)c1)c1cn[nH]c1 ZINC000222521165 326836493 /nfs/dbraw/zinc/83/64/93/326836493.db2.gz SBHQLEQTGYXJLC-IUCAKERBSA-N 0 1 267.735 3.614 20 0 CHADMN CCOC(=O)C1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000060460347 326868484 /nfs/dbraw/zinc/86/84/84/326868484.db2.gz JIGHAAOPOGEQIE-GFCCVEGCSA-N 0 1 295.810 3.676 20 0 CHADMN CC(C)OC1CCN(Cc2ccccc2OC(F)F)CC1 ZINC000530925183 326897206 /nfs/dbraw/zinc/89/72/06/326897206.db2.gz IBNJFJXHKVARAC-UHFFFAOYSA-N 0 1 299.361 3.677 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnccn1)c1ccc(Cl)cc1 ZINC000070478330 326916966 /nfs/dbraw/zinc/91/69/66/326916966.db2.gz RMTDIWDDLYYWSD-BXUZGUMPSA-N 0 1 275.783 3.932 20 0 CHADMN C[C@H](N[C@@H](C)c1cnccn1)c1ccc(C(F)(F)F)cc1 ZINC000070478732 326917255 /nfs/dbraw/zinc/91/72/55/326917255.db2.gz AAVCFKKEONODOX-QWRGUYRKSA-N 0 1 295.308 3.907 20 0 CHADMN COc1ncccc1CN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000124530020 326935285 /nfs/dbraw/zinc/93/52/85/326935285.db2.gz XZQUXGFXTSJGQS-AWEZNQCLSA-N 0 1 296.414 3.820 20 0 CHADMN CCc1ccc(CN[C@@H](COC)c2ccc(F)cc2)s1 ZINC000530967884 326945542 /nfs/dbraw/zinc/94/55/42/326945542.db2.gz BFXCPOUOMCJVBI-INIZCTEOSA-N 0 1 293.407 3.927 20 0 CHADMN CC(C)C(CN[C@H](C)c1nc(C(C)(C)C)no1)C(C)C ZINC000556596307 326952731 /nfs/dbraw/zinc/95/27/31/326952731.db2.gz MXBKOPUGIVSQIQ-GFCCVEGCSA-N 0 1 281.444 3.946 20 0 CHADMN C[C@@H](N[C@@H]1CSC1(C)C)c1cccc(F)c1F ZINC000338772886 327006062 /nfs/dbraw/zinc/00/60/62/327006062.db2.gz CPLWUWPWIJFSIE-LDYMZIIASA-N 0 1 257.349 3.509 20 0 CHADMN Cc1cc(Cl)cc(CN[C@H](C)c2ccccn2)c1 ZINC000339168750 327008875 /nfs/dbraw/zinc/00/88/75/327008875.db2.gz FQGVFRSQNQSCBV-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN CO[C@H](CNCc1csc(Cl)c1Cl)C1CC1 ZINC000339527437 327012970 /nfs/dbraw/zinc/01/29/70/327012970.db2.gz JNEPIUMJXLUPDI-SECBINFHSA-N 0 1 280.220 3.570 20 0 CHADMN C[C@@H](NCCCC1CCCCC1)c1csnn1 ZINC000398315406 327016623 /nfs/dbraw/zinc/01/66/23/327016623.db2.gz SRZYYQHNSCOZLB-LLVKDONJSA-N 0 1 253.415 3.549 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263340487 327019301 /nfs/dbraw/zinc/01/93/01/327019301.db2.gz NGRPNGBAHRWBBE-NJZAAPMLSA-N 0 1 295.810 3.834 20 0 CHADMN CC[C@@H](CN(Cc1ccccn1)Cc1ccccc1C)OC ZINC000568888927 327023622 /nfs/dbraw/zinc/02/36/22/327023622.db2.gz JCHSXLLRHYZTHO-IBGZPJMESA-N 0 1 298.430 3.817 20 0 CHADMN Cc1cc(C)c(C(=O)Nc2cccc(Cl)c2O)o1 ZINC000175273153 327026436 /nfs/dbraw/zinc/02/64/36/327026436.db2.gz JFMHCACEKNOCKJ-UHFFFAOYSA-N 0 1 265.696 3.508 20 0 CHADMN CCn1cncc1CN[C@H](C)c1cccc(OC(C)C)c1 ZINC000090170843 327031573 /nfs/dbraw/zinc/03/15/73/327031573.db2.gz WBUWXWAUWXFPKR-CQSZACIVSA-N 0 1 287.407 3.541 20 0 CHADMN CCc1ccc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)s1 ZINC000569073720 327032197 /nfs/dbraw/zinc/03/21/97/327032197.db2.gz AFEWLJCIBSEHEC-CQSZACIVSA-N 0 1 267.438 3.557 20 0 CHADMN CCc1ccc(CN2CCO[C@@H](C(C)(C)C)C2)s1 ZINC000569073720 327032199 /nfs/dbraw/zinc/03/21/99/327032199.db2.gz AFEWLJCIBSEHEC-CQSZACIVSA-N 0 1 267.438 3.557 20 0 CHADMN CC1(C)CC[C@@H](C(=O)Nc2cc(Cl)c(O)cc2F)C1 ZINC000557938947 327036428 /nfs/dbraw/zinc/03/64/28/327036428.db2.gz VKNPWBSUHJUYKE-MRVPVSSYSA-N 0 1 285.746 3.950 20 0 CHADMN Cc1ccoc1C[N@@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000313048593 327039582 /nfs/dbraw/zinc/03/95/82/327039582.db2.gz SFWIEGYDRLXZSS-UHFFFAOYSA-N 0 1 271.360 3.601 20 0 CHADMN Cc1ccoc1CN(C)CCC(=O)c1ccc(C)cc1 ZINC000313048593 327039584 /nfs/dbraw/zinc/03/95/84/327039584.db2.gz SFWIEGYDRLXZSS-UHFFFAOYSA-N 0 1 271.360 3.601 20 0 CHADMN CC(C)[C@H](NCc1cncc(F)c1)c1ccc(F)cc1F ZINC000558091278 327066018 /nfs/dbraw/zinc/06/60/18/327066018.db2.gz AKCSFVRXAFKALK-INIZCTEOSA-N 0 1 294.320 3.986 20 0 CHADMN CC(C)COCCN1CC(C)(C)[C@@H]1c1cccs1 ZINC000558177498 327077924 /nfs/dbraw/zinc/07/79/24/327077924.db2.gz LGOMQFKIGFUMJI-AWEZNQCLSA-N 0 1 267.438 3.804 20 0 CHADMN CC[C@H]1CC[C@H]1NCc1c(F)cc(F)c(F)c1F ZINC000558255323 327081806 /nfs/dbraw/zinc/08/18/06/327081806.db2.gz OCFGUTCVCITXQX-WRWORJQWSA-N 0 1 261.262 3.521 20 0 CHADMN CCC[C@H](C)[C@@H](CO)NCc1csc(C2CCCC2)n1 ZINC000577180423 327089507 /nfs/dbraw/zinc/08/95/07/327089507.db2.gz FYYMWNBVPWSGIK-SWLSCSKDSA-N 0 1 296.480 3.687 20 0 CHADMN Clc1ccc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)nc1 ZINC000558410147 327092040 /nfs/dbraw/zinc/09/20/40/327092040.db2.gz BYRCEWVSDCDSQB-MRXNPFEDSA-N 0 1 294.826 3.659 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(Cl)cs1 ZINC000558410783 327092213 /nfs/dbraw/zinc/09/22/13/327092213.db2.gz CCSLWVWYHKLKEF-YPMHNXCESA-N 0 1 287.856 3.917 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(Cl)cn1 ZINC000558410619 327092218 /nfs/dbraw/zinc/09/22/18/327092218.db2.gz ZZTSMCXHLBZPEV-TYNCELHUSA-N 0 1 264.800 3.888 20 0 CHADMN CC[C@@H]1CCC[C@H](CN2CCOC[C@H]2CC(F)F)C1 ZINC000558414508 327092616 /nfs/dbraw/zinc/09/26/16/327092616.db2.gz PGLPYYIXOVWGJU-HZSPNIEDSA-N 0 1 275.383 3.559 20 0 CHADMN COc1ccc(CN2CCC[C@@H]2/C=C/c2ccccc2)nc1 ZINC000558721931 327116907 /nfs/dbraw/zinc/11/69/07/327116907.db2.gz OMCTXJSMKHEFLB-SXAWMYDMSA-N 0 1 294.398 3.768 20 0 CHADMN CC[C@@H](F)CN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000558740438 327118881 /nfs/dbraw/zinc/11/88/81/327118881.db2.gz JOZAJKLSAWWJBB-MNOVXSKESA-N 0 1 267.310 3.789 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000569347678 327120953 /nfs/dbraw/zinc/12/09/53/327120953.db2.gz MFIQPPIXSMOJOB-FVQBIDKESA-N 0 1 275.392 3.508 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000262068260 327133997 /nfs/dbraw/zinc/13/39/97/327133997.db2.gz FUEAQLVHGUIEJP-CQSZACIVSA-N 0 1 299.370 3.631 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1scnc1C1CC1)CC2 ZINC000558970651 327135816 /nfs/dbraw/zinc/13/58/16/327135816.db2.gz RRSXISGEYKPSNW-CQSZACIVSA-N 0 1 288.391 3.937 20 0 CHADMN Cc1nc(CN2CCC(C(C)C)CC2)sc1C ZINC000088602029 327164784 /nfs/dbraw/zinc/16/47/84/327164784.db2.gz ZQOROWOZTQVCFK-UHFFFAOYSA-N 0 1 252.427 3.628 20 0 CHADMN CC[N@@H+](Cc1occc1C(=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000569370438 327167634 /nfs/dbraw/zinc/16/76/34/327167634.db2.gz ANYINKCQKTZNKM-LLVKDONJSA-N 0 1 291.322 3.700 20 0 CHADMN Cc1ccc(CN[C@@H]2c3ccc(F)cc3O[C@@H]2C)cc1F ZINC000569405471 327172685 /nfs/dbraw/zinc/17/26/85/327172685.db2.gz FNCOBCUBHWZIBC-DIFFPNOSSA-N 0 1 289.325 3.885 20 0 CHADMN C[C@H]1CN(Cc2ccccc2Cl)CCC1(F)F ZINC000573488466 327185185 /nfs/dbraw/zinc/18/51/85/327185185.db2.gz JIEJJUDRATWTIZ-JTQLQIEISA-N 0 1 259.727 3.817 20 0 CHADMN CCc1nc(C)c(CN[C@H]2CCc3c2cccc3Cl)o1 ZINC000569564177 327198144 /nfs/dbraw/zinc/19/81/44/327198144.db2.gz YBTCPQNTMZFJMJ-AWEZNQCLSA-N 0 1 290.794 3.976 20 0 CHADMN COc1cc(F)cc(CN[C@@H](C)c2cc(C)oc2C)c1 ZINC000278858196 327198709 /nfs/dbraw/zinc/19/87/09/327198709.db2.gz WDNDNBWBEKSNOS-NSHDSACASA-N 0 1 277.339 3.895 20 0 CHADMN CCc1ccc(CN(C)Cc2cc(OC)cc(C)n2)cc1 ZINC000533844488 327222481 /nfs/dbraw/zinc/22/24/81/327222481.db2.gz VIHDIASFWNRYLB-UHFFFAOYSA-N 0 1 284.403 3.593 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])o2)CC12CCCCC2 ZINC000584296745 327227966 /nfs/dbraw/zinc/22/79/66/327227966.db2.gz HAJDUHDQULSLFQ-CYBMUJFWSA-N 0 1 291.391 3.770 20 0 CHADMN CCCCc1noc([C@@H](C)N2CC[C@H](CC3CC3)C2)n1 ZINC000559411722 327244168 /nfs/dbraw/zinc/24/41/68/327244168.db2.gz VZSCBQXVTBHONQ-TZMCWYRMSA-N 0 1 277.412 3.595 20 0 CHADMN FC[C@H]1CCCN1[C@@H]1CCc2ccc(Cl)cc21 ZINC000559411655 327244249 /nfs/dbraw/zinc/24/42/49/327244249.db2.gz UDJJCLMSMZUDFB-TZMCWYRMSA-N 0 1 253.748 3.761 20 0 CHADMN CCCCN(CC)CC(=O)Nc1ccc(Cl)cc1C ZINC000531103766 327247578 /nfs/dbraw/zinc/24/75/78/327247578.db2.gz AJOJDTYZZCYFIT-UHFFFAOYSA-N 0 1 282.815 3.709 20 0 CHADMN COc1c(C)cnc(CN(C)Cc2ccc(C)cc2C)c1C ZINC000559819708 327263133 /nfs/dbraw/zinc/26/31/33/327263133.db2.gz YFRZELBRTWXOQD-UHFFFAOYSA-N 0 1 298.430 3.956 20 0 CHADMN CCn1cc([C@@H](C)N[C@H](C)c2cc(C)ccc2OC)cn1 ZINC000044496646 327267245 /nfs/dbraw/zinc/26/72/45/327267245.db2.gz PPXVVMZPMRTISR-ZIAGYGMSSA-N 0 1 287.407 3.632 20 0 CHADMN CC(C)Oc1cccc([C@H](C)N[C@@H](C)c2cnn(C)c2)c1 ZINC000044497046 327267689 /nfs/dbraw/zinc/26/76/89/327267689.db2.gz XZASUYBBULIVHG-KBPBESRZSA-N 0 1 287.407 3.619 20 0 CHADMN CCO[C@H]1CCN(Cc2ccc(Cl)s2)C[C@@H]1C ZINC000449493425 327280331 /nfs/dbraw/zinc/28/03/31/327280331.db2.gz LFUJYGGSEBKKJK-JQWIXIFHSA-N 0 1 273.829 3.648 20 0 CHADMN C[C@@H]1CC[C@H](C)[C@@H](NCc2noc(-c3cccs3)n2)C1 ZINC000560134207 327285659 /nfs/dbraw/zinc/28/56/59/327285659.db2.gz OCOQNLVOXKFDPU-WOPDTQHZSA-N 0 1 291.420 3.712 20 0 CHADMN Cc1ccoc1CN1CCC(CC(F)(F)F)CC1 ZINC000560277082 327295718 /nfs/dbraw/zinc/29/57/18/327295718.db2.gz OBUZUHOFZHWPBR-UHFFFAOYSA-N 0 1 261.287 3.752 20 0 CHADMN CC(C)[C@H]1C[C@@H](N[C@@H](C)c2nccn2C)c2ccccc21 ZINC000448035760 327298103 /nfs/dbraw/zinc/29/81/03/327298103.db2.gz SCFBVKOBUYVORJ-IAOVAPTHSA-N 0 1 283.419 3.955 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000262134072 327317568 /nfs/dbraw/zinc/31/75/68/327317568.db2.gz LVMRLDCMZURBNM-KURKYZTESA-N 0 1 299.414 3.782 20 0 CHADMN CCc1ccccc1CCN1CCCC[C@H]1c1nc(C)no1 ZINC000560533391 327320571 /nfs/dbraw/zinc/32/05/71/327320571.db2.gz GNXPWNJAEBVONN-KRWDZBQOSA-N 0 1 299.418 3.710 20 0 CHADMN Cc1cc2cc(CN3CCC[C@@H]3CF)oc2cc1C ZINC000560611964 327330492 /nfs/dbraw/zinc/33/04/92/327330492.db2.gz VPTDYEDQUMJZFJ-CQSZACIVSA-N 0 1 261.340 3.984 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc3cnn(C)c3c2)oc1C ZINC000562280743 327463065 /nfs/dbraw/zinc/46/30/65/327463065.db2.gz SPXDVIYXXDEWBO-LBPRGKRZSA-N 0 1 283.375 3.634 20 0 CHADMN Cc1nnsc1CN[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000562442545 327481582 /nfs/dbraw/zinc/48/15/82/327481582.db2.gz UAHIZTDXEYCJMV-AWEZNQCLSA-N 0 1 293.411 3.863 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2C[C@H]1C)c1cn2ccccc2n1 ZINC000562492610 327485283 /nfs/dbraw/zinc/48/52/83/327485283.db2.gz GFYHECVLTHIMHX-TYILLQQXSA-N 0 1 291.398 3.918 20 0 CHADMN Cc1ccc2oc(CNCc3cnn(CC(C)C)c3)cc2c1 ZINC000565247764 327574376 /nfs/dbraw/zinc/57/43/76/327574376.db2.gz VOJGHRRASDTFBS-UHFFFAOYSA-N 0 1 297.402 3.884 20 0 CHADMN Nc1ccc2c(c1)CC[C@@H]2NCc1ccc(F)cc1Cl ZINC000570529814 327598444 /nfs/dbraw/zinc/59/84/44/327598444.db2.gz XEDWUFJFXBSMFW-INIZCTEOSA-N 0 1 290.769 3.838 20 0 CHADMN CCO[C@@H](C)c1nc(CN[C@@H]2CCC2(C)C)cs1 ZINC000570694230 327611709 /nfs/dbraw/zinc/61/17/09/327611709.db2.gz KNAQZWHEXLZRFQ-CMPLNLGQSA-N 0 1 268.426 3.519 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2NCc1cccc(C)n1 ZINC000051573677 328623395 /nfs/dbraw/zinc/62/33/95/328623395.db2.gz RVAOLKBWQUSSCB-SFHVURJKSA-N 0 1 282.387 3.566 20 0 CHADMN Cc1cccc(CN[C@H]2CCSc3c(F)cccc32)n1 ZINC000051575404 328623560 /nfs/dbraw/zinc/62/35/60/328623560.db2.gz LNJFKWBBKSYFNB-HNNXBMFYSA-N 0 1 288.391 3.856 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)C(C)(C)C)c1nccn1C ZINC000070444224 328649353 /nfs/dbraw/zinc/64/93/53/328649353.db2.gz ISHTVEMHBWRRGZ-DZGCQCFKSA-N 0 1 271.408 3.858 20 0 CHADMN C[C@H](N[C@H]1C[C@H](O)C1(C)C)c1cc(Cl)sc1Cl ZINC000300420209 332815663 /nfs/dbraw/zinc/81/56/63/332815663.db2.gz YZQZCYZFVBKIGA-XVYDVKMFSA-N 0 1 294.247 3.865 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(Cc2ccccc2C)no1 ZINC000395320448 328735958 /nfs/dbraw/zinc/73/59/58/328735958.db2.gz LKFFREFPWMIMAN-AWEZNQCLSA-N 0 1 287.407 3.666 20 0 CHADMN CCc1cc(CN[C@@H](C)c2cc(C)ccc2C)on1 ZINC000532516835 328785799 /nfs/dbraw/zinc/78/57/99/328785799.db2.gz ASBREIREBNCIRS-ZDUSSCGKSA-N 0 1 258.365 3.705 20 0 CHADMN CCc1cc(CN[C@H](C)c2cccc(C)c2C)on1 ZINC000532516966 328786196 /nfs/dbraw/zinc/78/61/96/328786196.db2.gz YHKJNHOXNUDADK-CYBMUJFWSA-N 0 1 258.365 3.705 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@H](CO)c1ccccc1C ZINC000532550987 328790651 /nfs/dbraw/zinc/79/06/51/328790651.db2.gz LDBMZMCCPZQTQD-MAUKXSAKSA-N 0 1 299.414 3.778 20 0 CHADMN CC(C)(C)[C@H](NCc1ccno1)c1ccc(F)cc1 ZINC000532657303 328803326 /nfs/dbraw/zinc/80/33/26/328803326.db2.gz RJAVIYCDTMBODF-CQSZACIVSA-N 0 1 262.328 3.691 20 0 CHADMN COc1cc(CN[C@H](CCC(C)C)c2ccoc2)ccn1 ZINC000353397991 328854503 /nfs/dbraw/zinc/85/45/03/328854503.db2.gz YTNSWVSRVIMQJN-MRXNPFEDSA-N 0 1 288.391 3.950 20 0 CHADMN FC1(F)CCC[C@@H](NCc2nccn2-c2ccccc2)C1 ZINC000359709394 328899155 /nfs/dbraw/zinc/89/91/55/328899155.db2.gz XLBMHFRVRLEURG-CYBMUJFWSA-N 0 1 291.345 3.540 20 0 CHADMN c1c2ccccc2[nH]c1CN1CCC[C@@H]1c1ccncc1 ZINC000377701317 329025741 /nfs/dbraw/zinc/02/57/41/329025741.db2.gz SQFPOAPNCLHVBD-GOSISDBHSA-N 0 1 277.371 3.900 20 0 CHADMN Fc1ccc2c(c1)[C@H](SCc1n[nH]c(C3CC3)n1)CC2 ZINC000193676764 329061014 /nfs/dbraw/zinc/06/10/14/329061014.db2.gz GLVBATUPYNZKKB-CYBMUJFWSA-N 0 1 289.379 3.742 20 0 CHADMN Cc1ccccc1CNc1nccn1Cc1ccccc1 ZINC000508468797 332839206 /nfs/dbraw/zinc/83/92/06/332839206.db2.gz VMXIZWQYKWOUOX-UHFFFAOYSA-N 0 1 277.371 3.852 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1cc(C)c(C(=O)[O-])o1 ZINC000583699030 329069520 /nfs/dbraw/zinc/06/95/20/329069520.db2.gz YUEYVUQTLQXRIL-BXUZGUMPSA-N 0 1 279.380 3.687 20 0 CHADMN C=Cn1cc(CN[C@@H](C)c2oc3ccccc3c2C)cn1 ZINC000194230942 329072909 /nfs/dbraw/zinc/07/29/09/329072909.db2.gz WWYFDDVKWADOLJ-ZDUSSCGKSA-N 0 1 281.359 3.889 20 0 CHADMN CC(C)COc1ccccc1CN[C@H](C)c1cccnc1 ZINC000171979503 329082798 /nfs/dbraw/zinc/08/27/98/329082798.db2.gz FLHNRTOPUBPXJK-OAHLLOKOSA-N 0 1 284.403 3.967 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@@H]2c2ccsc2)cc1C(=O)[O-] ZINC000582729886 329132054 /nfs/dbraw/zinc/13/20/54/329132054.db2.gz IREIEOHDMTXNIM-CQSZACIVSA-N 0 1 291.372 3.685 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CCC3(CCCC3)C2)n1 ZINC000174275183 329156245 /nfs/dbraw/zinc/15/62/45/329156245.db2.gz RXHCKACLPUOQAE-GFCCVEGCSA-N 0 1 263.385 3.520 20 0 CHADMN C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccncc1Cl ZINC000174816861 329161700 /nfs/dbraw/zinc/16/17/00/329161700.db2.gz DKDAHQLYQWKROD-RISCZKNCSA-N 0 1 252.789 3.746 20 0 CHADMN Cc1occc1CN(C)[C@H]1CCc2ccc(F)cc21 ZINC000177024542 329178161 /nfs/dbraw/zinc/17/81/61/329178161.db2.gz BXDGDXIXXKWHBG-INIZCTEOSA-N 0 1 259.324 3.846 20 0 CHADMN CCO[C@H](C)c1nc(CN2C[C@H]3CCCC[C@@H]3C2)cs1 ZINC000177530625 329185489 /nfs/dbraw/zinc/18/54/89/329185489.db2.gz CEXWUSQJLFHIHT-MGPQQGTHSA-N 0 1 294.464 3.863 20 0 CHADMN C[C@@H](NCc1ccc(N2CCCCCC2)nc1)c1ccoc1 ZINC000178137447 329196600 /nfs/dbraw/zinc/19/66/00/329196600.db2.gz SOEAUKHBGYERLF-OAHLLOKOSA-N 0 1 299.418 3.906 20 0 CHADMN Cc1occc1CN(C)Cc1cc2ccccc2o1 ZINC000178518667 329198067 /nfs/dbraw/zinc/19/80/67/329198067.db2.gz DZZAHGPYMNQRHR-UHFFFAOYSA-N 0 1 255.317 3.966 20 0 CHADMN COc1ccccc1[C@@H]1CCCN1Cc1cnn(C(C)C)c1 ZINC000179390496 329204936 /nfs/dbraw/zinc/20/49/36/329204936.db2.gz IBTHINHRFZCZFG-KRWDZBQOSA-N 0 1 299.418 3.810 20 0 CHADMN COC(=O)c1ccc([C@H](C)N[C@H](C)c2cccs2)o1 ZINC000221211591 329210108 /nfs/dbraw/zinc/21/01/08/329210108.db2.gz WORKNJRZIUXMOG-VHSXEESVSA-N 0 1 279.361 3.540 20 0 CHADMN CCN(C/C=C\c1ccccc1OC)Cc1ccccn1 ZINC000179606383 329210331 /nfs/dbraw/zinc/21/03/31/329210331.db2.gz IQVPIVMQPDWURF-NTMALXAHSA-N 0 1 282.387 3.626 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cn(C)nc2-c2ccccc2)o1 ZINC000180422877 329216571 /nfs/dbraw/zinc/21/65/71/329216571.db2.gz VCLDYLIXFSLFFA-CQSZACIVSA-N 0 1 295.386 3.839 20 0 CHADMN CCS[C@H]1CC[C@H](N(C)Cc2ncc(C)s2)C1 ZINC000180523526 329220271 /nfs/dbraw/zinc/22/02/71/329220271.db2.gz IJLLSQVJLUVHAE-RYUDHWBXSA-N 0 1 270.467 3.558 20 0 CHADMN C(=C/[C@@H]1CCCCCN1Cc1c[nH]cn1)\c1cccs1 ZINC000180843263 329223471 /nfs/dbraw/zinc/22/34/71/329223471.db2.gz BJZZDCZVVBZWRZ-KIUWMYQTSA-N 0 1 287.432 3.929 20 0 CHADMN COC1(CNCc2csc(-c3ccsc3)n2)CCC1 ZINC000181078133 329225894 /nfs/dbraw/zinc/22/58/94/329225894.db2.gz GBZQJYYYNYDBSL-UHFFFAOYSA-N 0 1 294.445 3.530 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN(CC(F)(F)F)C3)[nH]c2c1 ZINC000181149802 329232950 /nfs/dbraw/zinc/23/29/50/329232950.db2.gz AHPBZLRJPOURJD-LLVKDONJSA-N 0 1 297.324 3.613 20 0 CHADMN Cc1cncc(CN[C@@H](C)c2ccc3ccccc3n2)c1 ZINC000181834582 329237686 /nfs/dbraw/zinc/23/76/86/329237686.db2.gz XISOBCVYNFVBLM-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN COc1ccc(Cl)cc1[C@H](C)NCc1cncc(C)c1 ZINC000181833433 329237797 /nfs/dbraw/zinc/23/77/97/329237797.db2.gz SSUOOPLAMLISDA-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1cnc([C@H](NCCOCC2CCCC2)C2CC2)s1 ZINC000459402519 329239242 /nfs/dbraw/zinc/23/92/42/329239242.db2.gz JWFSYGHPMAUMRN-OAHLLOKOSA-N 0 1 294.464 3.699 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)[C@H](c2ccco2)C1 ZINC000182818795 329242022 /nfs/dbraw/zinc/24/20/22/329242022.db2.gz YSOJWMUDZROJLM-PBHICJAKSA-N 0 1 285.387 3.745 20 0 CHADMN CCC1(c2noc(-c3cc(-c4ccoc4)n[nH]3)n2)CCCC1 ZINC000582824656 329272328 /nfs/dbraw/zinc/27/23/28/329272328.db2.gz LKXONCIKDIXWNQ-UHFFFAOYSA-N 0 1 298.346 3.942 20 0 CHADMN C[C@@H](c1ccsc1)N1CCN([C@@H]2C=CCCC2)CC1 ZINC000185447544 329273796 /nfs/dbraw/zinc/27/37/96/329273796.db2.gz DMVJCKKWFYBHOA-GOEBONIOSA-N 0 1 276.449 3.535 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H](C)CC(C)C)c2C)o1 ZINC000185468925 329274029 /nfs/dbraw/zinc/27/40/29/329274029.db2.gz DXBQKMWMLDJTPU-SNVBAGLBSA-N 0 1 289.379 3.907 20 0 CHADMN CC[C@@H](C)CN(CC)C(=O)c1[nH]nc2ccc(Cl)cc21 ZINC000582979862 329293816 /nfs/dbraw/zinc/29/38/16/329293816.db2.gz JLZDXCHOTPELHA-SNVBAGLBSA-N 0 1 293.798 3.725 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000582971170 329296184 /nfs/dbraw/zinc/29/61/84/329296184.db2.gz UMNVXPICLZLQRI-WHLNPGIBSA-N 0 1 297.354 3.656 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1C(C)C ZINC000395880853 329301693 /nfs/dbraw/zinc/30/16/93/329301693.db2.gz IJCNLSSSFQRVEQ-CYBMUJFWSA-N 0 1 281.421 3.765 20 0 CHADMN CC[C@H]1[C@@H](C)CCN1Cc1nnc(Cc2ccccc2C)o1 ZINC000185676720 329328839 /nfs/dbraw/zinc/32/88/39/329328839.db2.gz NSEZZJYDPBSSMR-HOCLYGCPSA-N 0 1 299.418 3.589 20 0 CHADMN C[C@@H](N[C@H](C)c1cncc(F)c1)c1ccsc1 ZINC000227834657 329329255 /nfs/dbraw/zinc/32/92/55/329329255.db2.gz OXGVJKBHSKVWPQ-NXEZZACHSA-N 0 1 250.342 3.694 20 0 CHADMN c1csc([C@@H]2CSCCN2CC2CCCCC2)n1 ZINC000186645992 329347076 /nfs/dbraw/zinc/34/70/76/329347076.db2.gz ZDWGQDSGSVKCCN-ZDUSSCGKSA-N 0 1 282.478 3.813 20 0 CHADMN COC1(CNCc2ncc(C(C)C)s2)CCCCC1 ZINC000187455054 329358069 /nfs/dbraw/zinc/35/80/69/329358069.db2.gz WSPHMYHBBQTLDR-UHFFFAOYSA-N 0 1 282.453 3.705 20 0 CHADMN CC/C=C/CC[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000583209647 329367530 /nfs/dbraw/zinc/36/75/30/329367530.db2.gz SGDCWFARAMYEBV-ONEGZZNKSA-N 0 1 281.783 3.583 20 0 CHADMN C[C@H](NCc1cncc(F)c1)c1ccc(Cl)cc1 ZINC000231896457 329381668 /nfs/dbraw/zinc/38/16/68/329381668.db2.gz AHFWUFBZVNIHJW-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN COc1ccccc1[C@@H]1CCCN1Cc1cncc(C)c1 ZINC000189866532 329389767 /nfs/dbraw/zinc/38/97/67/329389767.db2.gz BYLDKFNXPZBEOR-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN Cc1nccc(N2C[C@H]3CCCC[C@@H]3C2)c1Cl ZINC000509050506 332857516 /nfs/dbraw/zinc/85/75/16/332857516.db2.gz DQOWOUJSDLBEHA-VXGBXAGGSA-N 0 1 250.773 3.670 20 0 CHADMN COc1ccc(F)c(CNCc2ccc(C)cc2C)c1 ZINC000584424007 329466918 /nfs/dbraw/zinc/46/69/18/329466918.db2.gz HLCOTZUYTSOQLS-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN Cc1nc(C)c(CN[C@H]2CCOc3c(F)cccc32)s1 ZINC000191120066 329571871 /nfs/dbraw/zinc/57/18/71/329571871.db2.gz BWGMZOIVXOVSRW-ZDUSSCGKSA-N 0 1 292.379 3.512 20 0 CHADMN Cc1ccn(-c2ccccc2CN[C@@H](C)c2ccco2)n1 ZINC000127653404 329601291 /nfs/dbraw/zinc/60/12/91/329601291.db2.gz FAMZWJJMMWVNEG-AWEZNQCLSA-N 0 1 281.359 3.625 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccccc1)CO2 ZINC000130728533 329627687 /nfs/dbraw/zinc/62/76/87/329627687.db2.gz JKFQZGZEPRZDRA-CJNGLKHVSA-N 0 1 253.345 3.779 20 0 CHADMN CC1(C)Cc2occc2[C@@H](NCc2cccc3c2OCO3)C1 ZINC000130854194 329628952 /nfs/dbraw/zinc/62/89/52/329628952.db2.gz WBYTYTAXHYCBNL-AWEZNQCLSA-N 0 1 299.370 3.812 20 0 CHADMN Cc1cnc([C@H](C)NCc2ccc(C)cc2C)s1 ZINC000134906981 329661479 /nfs/dbraw/zinc/66/14/79/329661479.db2.gz IFUQEQQVWVOGND-ZDUSSCGKSA-N 0 1 260.406 3.919 20 0 CHADMN CC(C)[C@H](CC(F)(F)F)N[C@H](C)c1cscn1 ZINC000527100127 329694350 /nfs/dbraw/zinc/69/43/50/329694350.db2.gz VHGAUUTWBWCHLH-BDAKNGLRSA-N 0 1 266.332 3.771 20 0 CHADMN CC[C@H](CN[C@@H](C)c1nc(C(C)(C)C)cs1)OC ZINC000419252540 329714487 /nfs/dbraw/zinc/71/44/87/329714487.db2.gz VPGFSCXDQSDUHC-WDEREUQCSA-N 0 1 270.442 3.516 20 0 CHADMN C[C@@H](NCc1ccc(F)cn1)c1ccc(C2CC2)cc1 ZINC000419339412 329717952 /nfs/dbraw/zinc/71/79/52/329717952.db2.gz MEINOKHHEZRXEP-GFCCVEGCSA-N 0 1 270.351 3.949 20 0 CHADMN Cc1nc2cc(NCc3ccccc3)ccc2n1[C@H](C)CO ZINC000419768278 329745019 /nfs/dbraw/zinc/74/50/19/329745019.db2.gz UFPIFWNAGXIETM-CYBMUJFWSA-N 0 1 295.386 3.510 20 0 CHADMN FC(F)C[C@@H](NCc1ccncc1)c1ccccc1 ZINC000421001451 329797518 /nfs/dbraw/zinc/79/75/18/329797518.db2.gz WXCZCRAHDVKECW-CQSZACIVSA-N 0 1 262.303 3.568 20 0 CHADMN Cc1cc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)cc(C)n1 ZINC000421375400 329816510 /nfs/dbraw/zinc/81/65/10/329816510.db2.gz IQOHIRSOTLBGSO-MEDUHNTESA-N 0 1 270.376 3.705 20 0 CHADMN COc1ccc2oc(CNCc3cc(C)nc(C)c3)cc2c1 ZINC000421379522 329817508 /nfs/dbraw/zinc/81/75/08/329817508.db2.gz LJIHQDVIAAHCJZ-UHFFFAOYSA-N 0 1 296.370 3.743 20 0 CHADMN CCOc1ccc(CNCc2cc(C)nc(C)c2)cc1F ZINC000421390484 329820033 /nfs/dbraw/zinc/82/00/33/329820033.db2.gz UZTSJUXDRDYVCG-UHFFFAOYSA-N 0 1 288.366 3.526 20 0 CHADMN Cc1c(Cl)c(CNC[C@H](C)c2ccc(C)cc2)nn1C ZINC000421372130 329824730 /nfs/dbraw/zinc/82/47/30/329824730.db2.gz YJHLVXSABAGBTQ-LBPRGKRZSA-N 0 1 291.826 3.584 20 0 CHADMN C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCCC1 ZINC000066697069 329849652 /nfs/dbraw/zinc/84/96/52/329849652.db2.gz YSKMYXSXRGTWBH-SNVBAGLBSA-N 0 1 277.755 3.547 20 0 CHADMN Clc1ccc(C2(NCc3cccnc3)CC2)cc1 ZINC000069878779 329854668 /nfs/dbraw/zinc/85/46/68/329854668.db2.gz FBKUPSLITMWUKG-UHFFFAOYSA-N 0 1 258.752 3.514 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(Cl)c1 ZINC000246872867 329871873 /nfs/dbraw/zinc/87/18/73/329871873.db2.gz DBDRSUAOPNOTEO-YMRXKLBXSA-N 0 1 287.790 3.649 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1csc(Cl)c1 ZINC000248695346 329897350 /nfs/dbraw/zinc/89/73/50/329897350.db2.gz KVIZCZLYHAPTQT-JBCWJZNQSA-N 0 1 293.819 3.710 20 0 CHADMN C[C@@H](NC[C@@H]1CC[C@@H](C)O1)c1nc(C(C)(C)C)cs1 ZINC000249119442 329904837 /nfs/dbraw/zinc/90/48/37/329904837.db2.gz SNSVPBGMTMWDER-UTUOFQBUSA-N 0 1 282.453 3.659 20 0 CHADMN Fc1ccc(CNCc2ccc3c(c2)CCCN3)c(F)c1 ZINC000571770175 329918804 /nfs/dbraw/zinc/91/88/04/329918804.db2.gz RLKFIVVEOAIFKJ-UHFFFAOYSA-N 0 1 288.341 3.613 20 0 CHADMN COc1ccccc1CNCc1cccn1CCC(C)C ZINC000161528048 329945801 /nfs/dbraw/zinc/94/58/01/329945801.db2.gz NUYNMTRJNYYIAO-UHFFFAOYSA-N 0 1 286.419 3.833 20 0 CHADMN CC[C@@H](Sc1ccccc1)c1nc(C2(N)CCC2)no1 ZINC000261724952 329979821 /nfs/dbraw/zinc/97/98/21/329979821.db2.gz JUOYSRXBXPKNER-GFCCVEGCSA-N 0 1 289.404 3.651 20 0 CHADMN CCc1ccc([C@@H](C)c2nc(C3(N)CCCC3)no2)cc1 ZINC000261878276 329987810 /nfs/dbraw/zinc/98/78/10/329987810.db2.gz WBGCWPQLHOXUKK-GFCCVEGCSA-N 0 1 285.391 3.512 20 0 CHADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC000263061121 330041423 /nfs/dbraw/zinc/04/14/23/330041423.db2.gz MVHDEJAYADNXHW-GUYCJALGSA-N 0 1 287.403 3.639 20 0 CHADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC000263061119 330041525 /nfs/dbraw/zinc/04/15/25/330041525.db2.gz MVHDEJAYADNXHW-CXAGYDPISA-N 0 1 287.403 3.639 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC000263195950 330048554 /nfs/dbraw/zinc/04/85/54/330048554.db2.gz WMRBUOGABGTQDR-OAHLLOKOSA-N 0 1 267.413 3.534 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263300017 330051916 /nfs/dbraw/zinc/05/19/16/330051916.db2.gz GKWREIHENNELAB-IIAWOOMASA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)C[C@@]1(C)CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263401502 330054447 /nfs/dbraw/zinc/05/44/47/330054447.db2.gz IGZSAUVNJJOFHM-QGZVFWFLSA-N 0 1 275.392 3.785 20 0 CHADMN Cc1cccc([C@H]2CC[N@@H+](Cc3cccc(C(=O)[O-])c3)C2)c1 ZINC000263416177 330054882 /nfs/dbraw/zinc/05/48/82/330054882.db2.gz NGFWRBSLAXJPGE-SFHVURJKSA-N 0 1 295.382 3.683 20 0 CHADMN CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000263431061 330055556 /nfs/dbraw/zinc/05/55/56/330055556.db2.gz SCQVIHCQNUPRMH-HOCLYGCPSA-N 0 1 275.392 3.785 20 0 CHADMN C[N@@H+](CCC1CCCCC1)Cc1cccc(C(=O)[O-])c1 ZINC000263476400 330057137 /nfs/dbraw/zinc/05/71/37/330057137.db2.gz MTAQICHTVOTPFS-UHFFFAOYSA-N 0 1 275.392 3.787 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H]1C[C@@H]1c1ccccc1 ZINC000263490629 330057668 /nfs/dbraw/zinc/05/76/68/330057668.db2.gz ILBXARWLMOXZGW-PNKHAZJDSA-N 0 1 299.414 3.508 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2Cc2cccc(C(=O)[O-])c2)o1 ZINC000263511414 330058359 /nfs/dbraw/zinc/05/83/59/330058359.db2.gz YXPQDOIZYQYJOE-OAHLLOKOSA-N 0 1 285.343 3.623 20 0 CHADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1ccccc1Oc1ccccc1 ZINC000263571040 330059745 /nfs/dbraw/zinc/05/97/45/330059745.db2.gz IWTMESQNMIQUGU-MRXNPFEDSA-N 0 1 297.354 3.528 20 0 CHADMN CCCn1ccc(CNCc2cc3ccccc3o2)c1 ZINC000572429109 330071688 /nfs/dbraw/zinc/07/16/88/330071688.db2.gz OFXOOHYXZIQMAR-UHFFFAOYSA-N 0 1 268.360 3.934 20 0 CHADMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)[C@H]1CC12CC2 ZINC000421753014 330076016 /nfs/dbraw/zinc/07/60/16/330076016.db2.gz XDAYLWBDLYSYJG-LLVKDONJSA-N 0 1 293.326 3.562 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1ccncc1Cl)c1ccccc1 ZINC000421820479 330086656 /nfs/dbraw/zinc/08/66/56/330086656.db2.gz MMUFDDCSAHWCSS-LRDDRELGSA-N 0 1 290.794 3.773 20 0 CHADMN COc1cc(Cl)ccc1[C@H](C)NCc1ccnc(C)c1 ZINC000421854866 330088914 /nfs/dbraw/zinc/08/89/14/330088914.db2.gz LIIJTYJUPMXROT-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(F)c2F)cc(C)n1 ZINC000421856919 330089408 /nfs/dbraw/zinc/08/94/08/330089408.db2.gz ORZGQRNCRVBRIC-GFCCVEGCSA-N 0 1 276.330 3.827 20 0 CHADMN C[C@@H](NCC1(C(F)(F)F)CC1)c1ccncc1Cl ZINC000421857977 330089790 /nfs/dbraw/zinc/08/97/90/330089790.db2.gz QQKRCEXZFOQHFT-MRVPVSSYSA-N 0 1 278.705 3.728 20 0 CHADMN COc1cc(C)cc(CN[C@@H](C)c2ccncc2Cl)c1 ZINC000421834765 330091764 /nfs/dbraw/zinc/09/17/64/330091764.db2.gz LHMAFERPTOOWJZ-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1nc([C@@H](C)Sc2ccc3c(c2)CCCC3)n[nH]1 ZINC000421844768 330094867 /nfs/dbraw/zinc/09/48/67/330094867.db2.gz UQPUZUHGCNODRQ-SNVBAGLBSA-N 0 1 273.405 3.845 20 0 CHADMN C[C@@H](Cc1ccc(F)cc1Cl)N[C@@H](C)c1csnn1 ZINC000421849658 330096113 /nfs/dbraw/zinc/09/61/13/330096113.db2.gz CHIXSQYXYLVFBZ-IUCAKERBSA-N 0 1 299.802 3.612 20 0 CHADMN Cc1cc(CN[C@H](CC(C)C)c2ccccn2)cc(C)n1 ZINC000421892747 330104349 /nfs/dbraw/zinc/10/43/49/330104349.db2.gz WQNSPGSOSHFLQP-GOSISDBHSA-N 0 1 283.419 3.970 20 0 CHADMN COc1ccccc1[C@H](C)NCc1cc(C)nc(C)c1 ZINC000421892801 330104659 /nfs/dbraw/zinc/10/46/59/330104659.db2.gz WRDWBBUKDBRRMU-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN FC(F)C1(NCCCC2CCOCC2)CCCCC1 ZINC000510155116 332895057 /nfs/dbraw/zinc/89/50/57/332895057.db2.gz VVGRUEXEFOUFMF-UHFFFAOYSA-N 0 1 275.383 3.751 20 0 CHADMN O=C([O-])[C@H]1CC[C@@H](c2ccccc2)[N@H+]1CCC1CCCC1 ZINC000580452401 330138842 /nfs/dbraw/zinc/13/88/42/330138842.db2.gz SYLPSDUFAGCXRX-DLBZAZTESA-N 0 1 287.403 3.857 20 0 CHADMN Cc1cc([C@H](C)NCc2cc(C)cc(N)c2)oc1C ZINC000423480288 330201269 /nfs/dbraw/zinc/20/12/69/330201269.db2.gz PDHMMTQXCSEPJQ-LBPRGKRZSA-N 0 1 258.365 3.638 20 0 CHADMN CC[C@H](NCc1ccc2c(c1)CCCN2)c1ccc(F)cn1 ZINC000423451470 330202991 /nfs/dbraw/zinc/20/29/91/330202991.db2.gz VEHZHVRFLKQNDP-INIZCTEOSA-N 0 1 299.393 3.820 20 0 CHADMN Cc1ccc(C)c([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000536830825 330229038 /nfs/dbraw/zinc/22/90/38/330229038.db2.gz FBGYXQNASUKCSI-UONOGXRCSA-N 0 1 286.423 3.957 20 0 CHADMN CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccc([O-])c1Cl ZINC000399626379 330245323 /nfs/dbraw/zinc/24/53/23/330245323.db2.gz SYYSIICMQXMZFQ-CMPLNLGQSA-N 0 1 253.773 3.666 20 0 CHADMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cccc([O-])c1Cl ZINC000399626379 330245325 /nfs/dbraw/zinc/24/53/25/330245325.db2.gz SYYSIICMQXMZFQ-CMPLNLGQSA-N 0 1 253.773 3.666 20 0 CHADMN C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)CC1(F)CC1 ZINC000527509105 330254560 /nfs/dbraw/zinc/25/45/60/330254560.db2.gz DRBSIPCCOVRVKP-UHFFFAOYSA-N 0 1 277.261 3.519 20 0 CHADMN CN(Cc1ccc(OC(F)(F)F)cc1)CC1(F)CC1 ZINC000527509105 330254562 /nfs/dbraw/zinc/25/45/62/330254562.db2.gz DRBSIPCCOVRVKP-UHFFFAOYSA-N 0 1 277.261 3.519 20 0 CHADMN Fc1ccc2c(C3=CCN(CC4(F)CC4)CC3)c[nH]c2c1 ZINC000527509592 330254640 /nfs/dbraw/zinc/25/46/40/330254640.db2.gz BVWJXWZYMOQFLL-UHFFFAOYSA-N 0 1 288.341 3.898 20 0 CHADMN Fc1ccc([C@H]2CCN(Cc3ncccc3Cl)C2)cc1 ZINC000528400126 330256563 /nfs/dbraw/zinc/25/65/63/330256563.db2.gz KLPANJGMILYBQT-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1ccc(OC2CCN(Cc3ccnc(C)c3)CC2)cc1 ZINC000527534203 330262819 /nfs/dbraw/zinc/26/28/19/330262819.db2.gz MRQSSPDJBOYXQJ-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccnc(C)c1 ZINC000527534724 330263134 /nfs/dbraw/zinc/26/31/34/330263134.db2.gz PRCUXYHALVCSFY-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2cccc(F)c2)ccn1 ZINC000527534972 330263383 /nfs/dbraw/zinc/26/33/83/330263383.db2.gz STGSCWWBHQTMRT-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccc(F)c(F)c2)ccn1 ZINC000527535768 330263566 /nfs/dbraw/zinc/26/35/66/330263566.db2.gz VRNCLWPZEZGDHY-GFCCVEGCSA-N 0 1 276.330 3.861 20 0 CHADMN C/C(Cl)=C/CN1CCCC[C@@H]1c1cccn1C ZINC000528401411 330264277 /nfs/dbraw/zinc/26/42/77/330264277.db2.gz WJMLLQPCGUTCSU-ICDLMJIXSA-N 0 1 252.789 3.695 20 0 CHADMN Cc1ccc(CN2CCC(F)(F)C[C@@H]2C)cc1F ZINC000528767254 330264638 /nfs/dbraw/zinc/26/46/38/330264638.db2.gz FZSAEQGYNMILIR-NSHDSACASA-N 0 1 257.299 3.754 20 0 CHADMN C[C@H](N[C@@H](C)[C@@H]1C[C@H]1C1CC1)c1noc(-c2ccccc2)n1 ZINC000527678152 330270500 /nfs/dbraw/zinc/27/05/00/330270500.db2.gz UCPOXJRTDZSOEP-APYUEPQZSA-N 0 1 297.402 3.822 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccc3cc[nH]c3c2)n[nH]1 ZINC000527700653 330274742 /nfs/dbraw/zinc/27/47/42/330274742.db2.gz NXTZOAOOTYAQCI-VXGBXAGGSA-N 0 1 297.406 3.650 20 0 CHADMN Cc1cc(CNCc2ccc(C3CC3)cc2F)ccn1 ZINC000527710113 330275792 /nfs/dbraw/zinc/27/57/92/330275792.db2.gz ISLMOWVGVURJEC-UHFFFAOYSA-N 0 1 270.351 3.696 20 0 CHADMN Cc1cc(CN[C@@H]2CCCOc3c(F)cccc32)ccn1 ZINC000527692537 330279515 /nfs/dbraw/zinc/27/95/15/330279515.db2.gz SUDRVANTMBVIOT-MRXNPFEDSA-N 0 1 286.350 3.533 20 0 CHADMN Cc1cc(F)c(CN[C@@H]2CCCC(F)(F)C2)c(F)c1 ZINC000424139670 330279962 /nfs/dbraw/zinc/27/99/62/330279962.db2.gz DRKNKJJATBUOAB-SNVBAGLBSA-N 0 1 275.289 3.941 20 0 CHADMN CCc1ccc(CN[C@H](c2ccccn2)C2CCC2)cn1 ZINC000527772940 330282163 /nfs/dbraw/zinc/28/21/63/330282163.db2.gz QNLRKGRJUNMVBK-SFHVURJKSA-N 0 1 281.403 3.670 20 0 CHADMN CC(C)n1cc(CN[C@@H]2CCc3cc(Cl)ccc32)cn1 ZINC000527796339 330283942 /nfs/dbraw/zinc/28/39/42/330283942.db2.gz YDTFSAZADQXSJC-MRXNPFEDSA-N 0 1 289.810 3.895 20 0 CHADMN CCCn1cc(CN[C@H]2CCc3cc(Cl)ccc32)cn1 ZINC000527795438 330283958 /nfs/dbraw/zinc/28/39/58/330283958.db2.gz OCZPIWDEQMZNNO-INIZCTEOSA-N 0 1 289.810 3.724 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccn(C)n1)c1cc(C)ccc1C ZINC000527910907 330290664 /nfs/dbraw/zinc/29/06/64/330290664.db2.gz WGCNYSMVRQGOBO-GOEBONIOSA-N 0 1 271.408 3.839 20 0 CHADMN CC[C@@H](NCc1cc(C)ncn1)c1cc(C)ccc1C ZINC000527876283 330291309 /nfs/dbraw/zinc/29/13/09/330291309.db2.gz QOOOADRELOQXKR-QGZVFWFLSA-N 0 1 269.392 3.643 20 0 CHADMN Cc1cccc([C@@H](N[C@@H](C)c2nccn2C)C(C)C)c1 ZINC000527914986 330295007 /nfs/dbraw/zinc/29/50/07/330295007.db2.gz UOGVUWNXDHZGOF-HOCLYGCPSA-N 0 1 271.408 3.776 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2cccc(C(C)C)c2)o1 ZINC000527918341 330295402 /nfs/dbraw/zinc/29/54/02/330295402.db2.gz WCWHVKBSMBJXNS-LBPRGKRZSA-N 0 1 258.365 3.957 20 0 CHADMN C[C@@H](NCC12CC(C1)CO2)c1cc(Cl)sc1Cl ZINC000527984246 330298513 /nfs/dbraw/zinc/29/85/13/330298513.db2.gz YYQLNFHQEDPXNN-OQNPIJIBSA-N 0 1 292.231 3.885 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@H]2NCc1cccnc1C ZINC000527989397 330299200 /nfs/dbraw/zinc/29/92/00/330299200.db2.gz ZSPDIXXQLTVMCN-QGZVFWFLSA-N 0 1 282.387 3.702 20 0 CHADMN Cc1[nH]ncc1[C@H](C)Nc1cccc(C2CCOCC2)c1 ZINC000527997558 330299583 /nfs/dbraw/zinc/29/95/83/330299583.db2.gz YFHUJHDQMCAYHZ-LBPRGKRZSA-N 0 1 285.391 3.785 20 0 CHADMN c1ccc([C@@H](N[C@@H]2CCCc3cccnc32)C2CCC2)nc1 ZINC000527967793 330301291 /nfs/dbraw/zinc/30/12/91/330301291.db2.gz RDFCCTBMIWPBFZ-MJGOQNOKSA-N 0 1 293.414 3.985 20 0 CHADMN c1ccc([C@H](N[C@H]2CCCc3cccnc32)C2CCC2)nc1 ZINC000527967798 330301346 /nfs/dbraw/zinc/30/13/46/330301346.db2.gz RDFCCTBMIWPBFZ-PKOBYXMFSA-N 0 1 293.414 3.985 20 0 CHADMN COc1ccc([C@@H](N[C@H](C)c2ccc(C)o2)C2CC2)cn1 ZINC000528042686 330305957 /nfs/dbraw/zinc/30/59/57/330305957.db2.gz HATAVWXOVPSQRB-PXAZEXFGSA-N 0 1 286.375 3.794 20 0 CHADMN Cc1cccc(CC[NH2+]Cc2cccc([O-])c2Cl)c1 ZINC000328078463 330311757 /nfs/dbraw/zinc/31/17/57/330311757.db2.gz BDIKMRIGKXLXMK-UHFFFAOYSA-N 0 1 275.779 3.686 20 0 CHADMN Cc1cc2cc(CNCc3cncn3C(C)C)ccc2[nH]1 ZINC000424172784 330312890 /nfs/dbraw/zinc/31/28/90/330312890.db2.gz KRRCNOCQUPYISZ-UHFFFAOYSA-N 0 1 282.391 3.544 20 0 CHADMN c1cc(Oc2ccccc2)oc1CN[C@@H]1CC12CC2 ZINC000424183464 330319964 /nfs/dbraw/zinc/31/99/64/330319964.db2.gz IZAZGYYXOAYRCP-CQSZACIVSA-N 0 1 255.317 3.714 20 0 CHADMN Clc1ccc(Br)c(CN[C@H]2CC23CC3)c1 ZINC000424183589 330320232 /nfs/dbraw/zinc/32/02/32/330320232.db2.gz JVLTWOOUBYORGR-NSHDSACASA-N 0 1 286.600 3.745 20 0 CHADMN C[C@@H]1CCC[C@H](N(C)Cc2cc(C(C)(C)C)on2)C1 ZINC000580485171 330325536 /nfs/dbraw/zinc/32/55/36/330325536.db2.gz RWUIFWCOOMXLPV-OCCSQVGLSA-N 0 1 264.413 3.983 20 0 CHADMN COc1ccc(Cl)cc1C(C)(C)NCc1cccnc1 ZINC000424197523 330325734 /nfs/dbraw/zinc/32/57/34/330325734.db2.gz HYOSZLFEIGAXDM-UHFFFAOYSA-N 0 1 290.794 3.769 20 0 CHADMN Cc1ccc(OCCCN2CCn3cccc3[C@@H]2C)cc1C ZINC000106042820 330331405 /nfs/dbraw/zinc/33/14/05/330331405.db2.gz CWBKZLJLDFVWPM-KRWDZBQOSA-N 0 1 298.430 3.951 20 0 CHADMN Cc1ccccc1CCC[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000424263231 330332625 /nfs/dbraw/zinc/33/26/25/330332625.db2.gz RJJYQESHFSSQJY-KRWDZBQOSA-N 0 1 289.419 3.647 20 0 CHADMN COc1ncc(CN2CCCC[C@@H]2C(C)C)cc1Cl ZINC000533099784 330335375 /nfs/dbraw/zinc/33/53/75/330335375.db2.gz KNVNKIMAJZEIIU-CQSZACIVSA-N 0 1 282.815 3.754 20 0 CHADMN Cc1ccc(CNC(=O)c2ccc(O)c(Cl)c2)c(C)c1 ZINC000045200446 330340797 /nfs/dbraw/zinc/34/07/97/330340797.db2.gz HASMNQYZJHNGLT-UHFFFAOYSA-N 0 1 289.762 3.592 20 0 CHADMN Cc1ccc([C@H]2C[C@@H]2c2nc(C3(N)CCCCC3)no2)cc1 ZINC000424348482 330345021 /nfs/dbraw/zinc/34/50/21/330345021.db2.gz OJEWOLOKACARKN-CABCVRRESA-N 0 1 297.402 3.767 20 0 CHADMN FC(F)[C@H](CCc1ccccc1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000424342944 330346149 /nfs/dbraw/zinc/34/61/49/330346149.db2.gz GLZLHHTWRISYLD-XGUBFFRZSA-N 0 1 265.347 3.641 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000424423756 330351533 /nfs/dbraw/zinc/35/15/33/330351533.db2.gz VPWUCRMIUDDOQU-ILXRZTDVSA-N 0 1 269.429 3.778 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)[C@H]1C(=O)[O-] ZINC000424425867 330351624 /nfs/dbraw/zinc/35/16/24/330351624.db2.gz ZYNDUVZOXTZFPG-SUMWQHHRSA-N 0 1 299.370 3.632 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@@H+](C)C[C@@H](C)C(=O)[O-])cc1 ZINC000082250260 330353912 /nfs/dbraw/zinc/35/39/12/330353912.db2.gz YIQCYLAGMFDZKN-OLZOCXBDSA-N 0 1 263.381 3.524 20 0 CHADMN COC(=O)c1oc(CN(C)[C@H](C)c2ccccc2)cc1C ZINC000046503060 330354011 /nfs/dbraw/zinc/35/40/11/330354011.db2.gz TYLGQWGRYJFONU-CYBMUJFWSA-N 0 1 287.359 3.568 20 0 CHADMN CSc1ccc(CN(C)Cc2cccc(O)c2)cc1 ZINC000533255570 330354943 /nfs/dbraw/zinc/35/49/43/330354943.db2.gz XSBHXIQOLVSEOZ-UHFFFAOYSA-N 0 1 273.401 3.746 20 0 CHADMN CC(C)[C@@H](C)[N@@H+](C)Cc1cnc(-c2ccccc2)nc1 ZINC000533246704 330355242 /nfs/dbraw/zinc/35/52/42/330355242.db2.gz AJMXNNYLNSBWJI-CQSZACIVSA-N 0 1 269.392 3.620 20 0 CHADMN CCCN(C)Cc1c2ccccc2sc1C(=O)OC ZINC000533296828 330356267 /nfs/dbraw/zinc/35/62/67/330356267.db2.gz GYLYTGNKQMNAML-UHFFFAOYSA-N 0 1 277.389 3.530 20 0 CHADMN Cc1c([C@H](C)N[C@@H](C)c2ccc(Cl)c(F)c2)cnn1C ZINC000212728844 330367161 /nfs/dbraw/zinc/36/71/61/330367161.db2.gz UMKQOMSGINOENJ-UWVGGRQHSA-N 0 1 295.789 3.933 20 0 CHADMN Cc1csc(C(C)(C)NCCO[C@@H]2CCCC[C@H]2C)n1 ZINC000118849492 330368136 /nfs/dbraw/zinc/36/81/36/330368136.db2.gz LOZLEXWPZZYWRO-TZMCWYRMSA-N 0 1 296.480 3.872 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc(C(C)(C)C)no1 ZINC000118850251 330368161 /nfs/dbraw/zinc/36/81/61/330368161.db2.gz PYAXCGBUFPQHCN-AGIUHOORSA-N 0 1 277.412 3.520 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1 ZINC000086752217 330370803 /nfs/dbraw/zinc/37/08/03/330370803.db2.gz CGPAJCYXXRTWOJ-SECBINFHSA-N 0 1 290.190 3.679 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000086728074 330370827 /nfs/dbraw/zinc/37/08/27/330370827.db2.gz NXJIPAKUIDOUTK-JSGCOSHPSA-N 0 1 281.783 3.588 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1 ZINC000086752218 330370873 /nfs/dbraw/zinc/37/08/73/330370873.db2.gz CGPAJCYXXRTWOJ-VIFPVBQESA-N 0 1 290.190 3.679 20 0 CHADMN C[C@H]1CCN(C(=O)c2ccc(O)c(Cl)c2)C[C@@H](C)C1 ZINC000119354435 330372629 /nfs/dbraw/zinc/37/26/29/330372629.db2.gz DFIBTEPLEFVOJT-QWRGUYRKSA-N 0 1 281.783 3.554 20 0 CHADMN Cc1ccc(C)c(N2CCN([C@@H](C)c3ccccn3)CC2)c1 ZINC000119505202 330375225 /nfs/dbraw/zinc/37/52/25/330375225.db2.gz IZSDRDPNFDXUDE-KRWDZBQOSA-N 0 1 295.430 3.582 20 0 CHADMN CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)CC1 ZINC000119705784 330378917 /nfs/dbraw/zinc/37/89/17/330378917.db2.gz PILFVGYZKRVIAT-OAHLLOKOSA-N 0 1 288.435 3.871 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CCC[C@@H](C)CC1 ZINC000119705784 330378918 /nfs/dbraw/zinc/37/89/18/330378918.db2.gz PILFVGYZKRVIAT-OAHLLOKOSA-N 0 1 288.435 3.871 20 0 CHADMN Cc1ccc2nc(C[N@H+]3CC[C@@H](c4ccccc4)C3)cn2c1 ZINC000120139659 330385719 /nfs/dbraw/zinc/38/57/19/330385719.db2.gz UIKRPAKEXIBXQJ-QGZVFWFLSA-N 0 1 291.398 3.632 20 0 CHADMN CC[N@@H+](Cc1cccc(O)c1)[C@H](C)c1cccc(OC)c1 ZINC000120160521 330385914 /nfs/dbraw/zinc/38/59/14/330385914.db2.gz UNEMQCFGUQSNEJ-CQSZACIVSA-N 0 1 285.387 3.984 20 0 CHADMN CC(C)CO[C@H]1CCN([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000120198243 330386195 /nfs/dbraw/zinc/38/61/95/330386195.db2.gz WPNLRKWFYKSXLA-JSGCOSHPSA-N 0 1 283.362 3.773 20 0 CHADMN C[C@]1(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)C[C@H]1F ZINC000424587625 330391359 /nfs/dbraw/zinc/39/13/59/330391359.db2.gz AJTOFQFPWXMKMV-CJNGLKHVSA-N 0 1 299.305 3.510 20 0 CHADMN C[C@@H]1CN(CCc2ccccc2)C[C@H](c2ccsc2)O1 ZINC000120989979 330394132 /nfs/dbraw/zinc/39/41/32/330394132.db2.gz CUMVMOFWACJGFI-RHSMWYFYSA-N 0 1 287.428 3.753 20 0 CHADMN Clc1sc(Cl)c2c1CCC[C@H]2N[C@@H]1CCOC1 ZINC000090774029 330395913 /nfs/dbraw/zinc/39/59/13/330395913.db2.gz KXZUFIYKMYWJOE-VXNVDRBHSA-N 0 1 292.231 3.811 20 0 CHADMN CCOc1ncccc1CN[C@@H](c1ccccc1)C1CC1 ZINC000091283865 330399730 /nfs/dbraw/zinc/39/97/30/330399730.db2.gz IPYRNTRUIZJERS-KRWDZBQOSA-N 0 1 282.387 3.721 20 0 CHADMN C[S@@](=O)c1ccc(CN2CCC3(CCCC3)CC2)cc1 ZINC000093085430 330416091 /nfs/dbraw/zinc/41/60/91/330416091.db2.gz LOCNIIGNJYJDLP-FQEVSTJZSA-N 0 1 291.460 3.580 20 0 CHADMN Fc1ccc(CN[C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000098173042 330456682 /nfs/dbraw/zinc/45/66/82/330456682.db2.gz DHBPWCWXIPTXRY-MRXNPFEDSA-N 0 1 289.325 3.968 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000537881272 330459333 /nfs/dbraw/zinc/45/93/33/330459333.db2.gz JOHDVLWAWUJIKT-UONOGXRCSA-N 0 1 272.396 3.579 20 0 CHADMN CCC(CC)(CC)CN[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000314980258 330469542 /nfs/dbraw/zinc/46/95/42/330469542.db2.gz OVNZHTCXTLBNAV-NSHDSACASA-N 0 1 298.452 3.797 20 0 CHADMN Cc1cc(C)c(NC(=O)[C@@H](C)N2C3CCC2CC3)c(C)c1 ZINC000516156802 330488516 /nfs/dbraw/zinc/48/85/16/330488516.db2.gz JWUYLMSKZSKOIO-QQFBHYJXSA-N 0 1 286.419 3.566 20 0 CHADMN Cc1ccoc1CN[C@H]1CCCOc2cc(C)ccc21 ZINC000426295487 330503103 /nfs/dbraw/zinc/50/31/03/330503103.db2.gz YVIMUPWEMZUNAU-HNNXBMFYSA-N 0 1 271.360 3.900 20 0 CHADMN Cc1nnsc1CN[C@H](C)c1ccccc1C(C)(C)C ZINC000426314963 330503820 /nfs/dbraw/zinc/50/38/20/330503820.db2.gz SOXAFMDBLOOICQ-LLVKDONJSA-N 0 1 289.448 3.995 20 0 CHADMN CCc1nc(C)c(CN2CCC(c3ccsc3)CC2)o1 ZINC000428418188 330522745 /nfs/dbraw/zinc/52/27/45/330522745.db2.gz FFPSRXQYKUNIPV-UHFFFAOYSA-N 0 1 290.432 3.987 20 0 CHADMN CSCCCCCNCc1ncc(C(F)(F)F)s1 ZINC000433335541 330626455 /nfs/dbraw/zinc/62/64/55/330626455.db2.gz QGKSIBMMTWFSPX-UHFFFAOYSA-N 0 1 298.399 3.785 20 0 CHADMN Cc1cc(NCCCc2ccccn2)c2cc(F)ccc2n1 ZINC000434958283 330646963 /nfs/dbraw/zinc/64/69/63/330646963.db2.gz LMAMTIPMXCAEOA-UHFFFAOYSA-N 0 1 295.361 3.544 20 0 CHADMN Fc1ccc(CNCc2cc3c(cccc3F)[nH]2)c(F)c1 ZINC000436284068 330673297 /nfs/dbraw/zinc/67/32/97/330673297.db2.gz YPVDYZGSGYMUNM-UHFFFAOYSA-N 0 1 290.288 3.875 20 0 CHADMN Fc1cccc2[nH]c(CNCc3ccc(Cl)cn3)cc21 ZINC000436417523 330677328 /nfs/dbraw/zinc/67/73/28/330677328.db2.gz WEBBRZBEUXZYGL-UHFFFAOYSA-N 0 1 289.741 3.645 20 0 CHADMN Cc1cc(C)c2c(c1)N(C(=O)c1c(O)cccc1F)CCC2 ZINC000436980312 330690204 /nfs/dbraw/zinc/69/02/04/330690204.db2.gz PFCZZRMGJPEVEQ-UHFFFAOYSA-N 0 1 299.345 3.741 20 0 CHADMN CC[C@H](F)CN[C@@H](C)c1ccccc1OC(F)F ZINC000440786142 330756404 /nfs/dbraw/zinc/75/64/04/330756404.db2.gz YCIVNTXEJMZMKW-UWVGGRQHSA-N 0 1 261.287 3.687 20 0 CHADMN CC(C)C1CCN(Cc2cccc(F)c2F)CC1 ZINC000441468729 330769798 /nfs/dbraw/zinc/76/97/98/330769798.db2.gz UNCSPIQXHUUHEQ-UHFFFAOYSA-N 0 1 253.336 3.833 20 0 CHADMN CC(C)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000441479286 330769946 /nfs/dbraw/zinc/76/99/46/330769946.db2.gz VFLUPDFYAQPRDE-UHFFFAOYSA-N 0 1 285.391 3.605 20 0 CHADMN CC1(C)CN(c2ccnc3ccccc32)CC(C)(C)O1 ZINC000443500420 330800328 /nfs/dbraw/zinc/80/03/28/330800328.db2.gz QDEJFMZKWAEDIX-UHFFFAOYSA-N 0 1 270.376 3.629 20 0 CHADMN C[C@H]1CC[C@@H](NC(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000444462874 330813319 /nfs/dbraw/zinc/81/33/19/330813319.db2.gz FKQUIKYMNOYGGP-IONNQARKSA-N 0 1 288.174 3.617 20 0 CHADMN COC[C@H](NCc1nc(C2CCCCC2)cs1)C1CC1 ZINC000444687572 330819399 /nfs/dbraw/zinc/81/93/99/330819399.db2.gz GYEBUWABFYQAEC-AWEZNQCLSA-N 0 1 294.464 3.705 20 0 CHADMN C[C@@H]1OCC[C@@]1(C)NCc1nc(C2CCCCC2)cs1 ZINC000444710052 330821147 /nfs/dbraw/zinc/82/11/47/330821147.db2.gz UFRLWYKXWTXZAE-BLLLJJGKSA-N 0 1 294.464 3.848 20 0 CHADMN COC(=O)c1coc([C@H](C)N[C@@H](C)c2ccc(C)cc2)c1 ZINC000447532115 330868309 /nfs/dbraw/zinc/86/83/09/330868309.db2.gz SCFJIEANUPJFHS-STQMWFEESA-N 0 1 287.359 3.786 20 0 CHADMN COC(=O)c1coc([C@@H](C)N[C@@H](C)c2ccc(C)cc2)c1 ZINC000447532114 330868350 /nfs/dbraw/zinc/86/83/50/330868350.db2.gz SCFJIEANUPJFHS-QWHCGFSZSA-N 0 1 287.359 3.786 20 0 CHADMN CCc1ccc([C@H](CO)N[C@@H]2CCCc3occc32)cc1 ZINC000447575469 330870760 /nfs/dbraw/zinc/87/07/60/330870760.db2.gz SWAAQXYNYGHIMR-SJORKVTESA-N 0 1 285.387 3.543 20 0 CHADMN C[C@@H]1CC(c2nc(-c3ccn4cncc4c3)no2)C[C@@H](C)C1 ZINC000447948270 330880919 /nfs/dbraw/zinc/88/09/19/330880919.db2.gz MOYOXNPMXZNTBU-RYUDHWBXSA-N 0 1 296.374 3.924 20 0 CHADMN Cc1ccccc1CNCc1ccnn1C1CCCC1 ZINC000449063050 330896441 /nfs/dbraw/zinc/89/64/41/330896441.db2.gz ZZAYGNQIVUUYPI-UHFFFAOYSA-N 0 1 269.392 3.596 20 0 CHADMN CCOc1ccc(CNCc2ccnn2C2CCCC2)cc1 ZINC000449098689 330898742 /nfs/dbraw/zinc/89/87/42/330898742.db2.gz QNOWPBXSUJAYPI-UHFFFAOYSA-N 0 1 299.418 3.687 20 0 CHADMN C[C@@H](Cc1ccoc1)NCc1coc(-c2cccs2)n1 ZINC000449098581 330898857 /nfs/dbraw/zinc/89/88/57/330898857.db2.gz JXYPBSUQXKFWDV-NSHDSACASA-N 0 1 288.372 3.717 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cncc(F)c2)cc1F ZINC000162301463 330899815 /nfs/dbraw/zinc/89/98/15/330899815.db2.gz SLTKYVCEGFITRT-QWRGUYRKSA-N 0 1 292.329 3.780 20 0 CHADMN COc1cc(F)cc(CNC2(c3ccc(F)cc3)CC2)c1 ZINC000449137182 330901250 /nfs/dbraw/zinc/90/12/50/330901250.db2.gz XHAQIKDZPNIDBS-UHFFFAOYSA-N 0 1 289.325 3.752 20 0 CHADMN CN(C)Cc1ccc(NCc2ccncc2F)cc1Cl ZINC000449300251 330913025 /nfs/dbraw/zinc/91/30/25/330913025.db2.gz OUXBTFACDGHCPX-UHFFFAOYSA-N 0 1 293.773 3.548 20 0 CHADMN CC[C@H](N[C@H]1CC[C@H](c2ccccc2)C1)C(F)F ZINC000449359018 330918566 /nfs/dbraw/zinc/91/85/66/330918566.db2.gz HEWJRYYKDOSGJH-IHRRRGAJSA-N 0 1 253.336 3.956 20 0 CHADMN FCC(CF)NC1CCC(c2ccccc2)CC1 ZINC000449380671 330921014 /nfs/dbraw/zinc/92/10/14/330921014.db2.gz OCWZNMTUGDPXJD-UHFFFAOYSA-N 0 1 253.336 3.610 20 0 CHADMN CCn1cc([C@@H](C)NCc2cc3cc(F)ccc3o2)cn1 ZINC000449664227 330942834 /nfs/dbraw/zinc/94/28/34/330942834.db2.gz BRGVHVSDMVSSCE-LLVKDONJSA-N 0 1 287.338 3.639 20 0 CHADMN c1snnc1CNC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000449688862 330943620 /nfs/dbraw/zinc/94/36/20/330943620.db2.gz IJOPUHMAXSFASA-GDBMZVCRSA-N 0 1 287.432 3.602 20 0 CHADMN c1nc(C2CC2)oc1CNCc1cccc2ccccc21 ZINC000449701774 330944962 /nfs/dbraw/zinc/94/49/62/330944962.db2.gz XKAPBSGOKFSEIW-UHFFFAOYSA-N 0 1 278.355 3.995 20 0 CHADMN CCO[C@@H]1CCCC[C@H]1NCc1ncc(C(C)C)s1 ZINC000449759856 330948259 /nfs/dbraw/zinc/94/82/59/330948259.db2.gz KZGKFBUJWULXIR-CHWSQXEVSA-N 0 1 282.453 3.704 20 0 CHADMN Cc1cccc([C@H](C)NCc2cc(C(F)(F)F)n[nH]2)c1 ZINC000449771586 330949015 /nfs/dbraw/zinc/94/90/15/330949015.db2.gz FPYLZACXCKQDGM-JTQLQIEISA-N 0 1 283.297 3.588 20 0 CHADMN COc1ccc(F)c(CN[C@H](C)c2cccc(C)c2)c1 ZINC000449772140 330949126 /nfs/dbraw/zinc/94/91/26/330949126.db2.gz GRUPVORPRJKJAA-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN Clc1cccc([C@@H]2CC[C@@H](NCc3cocn3)C2)c1 ZINC000449773686 330949253 /nfs/dbraw/zinc/94/92/53/330949253.db2.gz NJUGSLRESRIAHM-TZMCWYRMSA-N 0 1 276.767 3.754 20 0 CHADMN Oc1ccc(CNCc2ccc(F)c(Cl)c2)cc1F ZINC000162827299 330960516 /nfs/dbraw/zinc/96/05/16/330960516.db2.gz PWKOEVTWEMIXQO-UHFFFAOYSA-N 0 1 283.705 3.614 20 0 CHADMN CO[C@@H]1CCN(c2ccnc3cc(F)ccc32)CC1(C)C ZINC000450754068 330997979 /nfs/dbraw/zinc/99/79/79/330997979.db2.gz HKVXZVGYLNNNKE-MRXNPFEDSA-N 0 1 288.366 3.625 20 0 CHADMN C[C@H](N[C@H]1CCC[C@H]1Cc1ccccc1)c1csnn1 ZINC000450821109 331001138 /nfs/dbraw/zinc/00/11/38/331001138.db2.gz PVBWNRAPLPVSBR-QEJZJMRPSA-N 0 1 287.432 3.600 20 0 CHADMN CCn1ccnc1[C@H]1CCCCN1CC1=CCCCC1 ZINC000450911700 331006724 /nfs/dbraw/zinc/00/67/24/331006724.db2.gz KRLQNWGFPJQALV-MRXNPFEDSA-N 0 1 273.424 3.930 20 0 CHADMN FC1(F)CCCC[C@H]1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000450975705 331009486 /nfs/dbraw/zinc/00/94/86/331009486.db2.gz BANFWKADSCECEW-JSGCOSHPSA-N 0 1 283.366 3.762 20 0 CHADMN Cc1ccc2[nH]c([C@@H]3CCCN3CC[C@@H](C)F)nc2c1 ZINC000451015446 331011794 /nfs/dbraw/zinc/01/17/94/331011794.db2.gz KXSYUONADHDFOS-DOMZBBRYSA-N 0 1 275.371 3.756 20 0 CHADMN CC[C@H](F)CN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451020452 331012198 /nfs/dbraw/zinc/01/21/98/331012198.db2.gz ZXAZSNWKMYOZIE-SWLSCSKDSA-N 0 1 275.371 3.756 20 0 CHADMN CCCc1nc(C)c(C[N@@H+](C)CCc2ccccc2C)o1 ZINC000451163468 331018301 /nfs/dbraw/zinc/01/83/01/331018301.db2.gz DOGMHBNEDDRBGV-UHFFFAOYSA-N 0 1 286.419 3.918 20 0 CHADMN CS[C@@H]1CCN([C@H](C)c2cccc(Cl)c2F)C1 ZINC000451321320 331024384 /nfs/dbraw/zinc/02/43/84/331024384.db2.gz CMYKHXDZCSTIBX-NXEZZACHSA-N 0 1 273.804 3.977 20 0 CHADMN CS[C@@H]1CCN([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000451321322 331024390 /nfs/dbraw/zinc/02/43/90/331024390.db2.gz CMYKHXDZCSTIBX-VHSXEESVSA-N 0 1 273.804 3.977 20 0 CHADMN Cc1ccc(SCCN(C)Cc2ccccn2)cc1C ZINC000451380224 331026422 /nfs/dbraw/zinc/02/64/22/331026422.db2.gz VGOVSFQKCCUQNE-UHFFFAOYSA-N 0 1 286.444 3.923 20 0 CHADMN CCO[C@@H]1CCN([C@@H](C)c2cc(F)ccc2F)C[C@@H]1C ZINC000451542242 331033314 /nfs/dbraw/zinc/03/33/14/331033314.db2.gz NBRZRXQQZMRTMU-MQIPJXDCSA-N 0 1 283.362 3.773 20 0 CHADMN CO[C@@H]1CCC[C@H]1NCc1csc(C2CCCCC2)n1 ZINC000451622942 331037287 /nfs/dbraw/zinc/03/72/87/331037287.db2.gz IIZGTSHCJSIOAP-HUUCEWRRSA-N 0 1 294.464 3.848 20 0 CHADMN CCCCOCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451830195 331043990 /nfs/dbraw/zinc/04/39/90/331043990.db2.gz DBCGLSKIHZKXAU-HNNXBMFYSA-N 0 1 263.381 3.623 20 0 CHADMN COCCCCN1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451877075 331045667 /nfs/dbraw/zinc/04/56/67/331045667.db2.gz HIMISDXZOPKBLV-INIZCTEOSA-N 0 1 287.407 3.517 20 0 CHADMN CCOCCCN1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451877569 331045831 /nfs/dbraw/zinc/04/58/31/331045831.db2.gz JLTCYSSZRDJWHC-MRXNPFEDSA-N 0 1 287.407 3.517 20 0 CHADMN CCO[C@@H]1CCC[C@H]1NCc1c(F)cccc1Cl ZINC000452010260 331050271 /nfs/dbraw/zinc/05/02/71/331050271.db2.gz CBKCZHMCDNIMGW-ZIAGYGMSSA-N 0 1 271.763 3.526 20 0 CHADMN C[C@H]1CCC(C)(C)N1Cc1ncccc1C(F)(F)F ZINC000452006985 331050369 /nfs/dbraw/zinc/05/03/69/331050369.db2.gz MRRFCGKNMKSFRL-JTQLQIEISA-N 0 1 272.314 3.863 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@@H](CC(C)(C)C)C2)s1 ZINC000452080336 331053245 /nfs/dbraw/zinc/05/32/45/331053245.db2.gz OPZFGYFRXXHRAP-PWSUYJOCSA-N 0 1 267.442 3.666 20 0 CHADMN CC(C)(C)C[C@H]1CCN(Cc2nncn2-c2ccccc2)C1 ZINC000452082099 331053373 /nfs/dbraw/zinc/05/33/73/331053373.db2.gz REFGYUXOQLOWKW-OAHLLOKOSA-N 0 1 298.434 3.525 20 0 CHADMN Cc1cccc2c(=O)c(C(=O)N3CCCC(C)(C)C3)c[nH]c12 ZINC000163549299 331055087 /nfs/dbraw/zinc/05/50/87/331055087.db2.gz ZXSGCPJCQJDEKQ-UHFFFAOYSA-N 0 1 298.386 3.511 20 0 CHADMN C[C@H](N[C@H]1CC(C)(C)C[C@@H]1C)c1nc(C(C)(C)C)no1 ZINC000194859131 331066251 /nfs/dbraw/zinc/06/62/51/331066251.db2.gz VNMBGJQEFVQFLD-SRVKXCTJSA-N 0 1 279.428 3.842 20 0 CHADMN CC(C)=CCC[C@@H](C)NC(=O)c1ccc(O)c(Cl)c1 ZINC000452548597 331068268 /nfs/dbraw/zinc/06/82/68/331068268.db2.gz LFHFZQAUBUFMOH-LLVKDONJSA-N 0 1 281.783 3.910 20 0 CHADMN CC(C)C[C@]1(C)CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000452989914 331082866 /nfs/dbraw/zinc/08/28/66/331082866.db2.gz QLXDHSYTUXEKOT-KRWDZBQOSA-N 0 1 285.391 3.604 20 0 CHADMN CC[C@@H](N[C@H](COC)c1ccccc1)c1ccncc1 ZINC000453138197 331093200 /nfs/dbraw/zinc/09/32/00/331093200.db2.gz IWXYHVDXTQZETN-IAGOWNOFSA-N 0 1 270.376 3.510 20 0 CHADMN CC(C)CN(C(=O)CNc1ccc2cnccc2c1)C(C)C ZINC000453164232 331096091 /nfs/dbraw/zinc/09/60/91/331096091.db2.gz RFNKQGLZNAALBA-UHFFFAOYSA-N 0 1 299.418 3.540 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H](C)c1c(C)cccc1C ZINC000453206816 331101279 /nfs/dbraw/zinc/10/12/79/331101279.db2.gz YVJXYWOQIDBDND-HUUCEWRRSA-N 0 1 271.408 3.932 20 0 CHADMN CC[C@@H](N[C@H](c1nccn1C)C1CC1)c1ccsc1 ZINC000453208650 331101559 /nfs/dbraw/zinc/10/15/59/331101559.db2.gz JLCCXQCJQQOYSG-KGLIPLIRSA-N 0 1 275.421 3.674 20 0 CHADMN Cc1cc([C@H](C)NCc2ccnc(OC(F)F)c2)cs1 ZINC000453215816 331102371 /nfs/dbraw/zinc/10/23/71/331102371.db2.gz SHYXIPYULBGEOR-JTQLQIEISA-N 0 1 298.358 3.904 20 0 CHADMN COc1nccc(CN[C@H](C)c2ccccc2C(C)(C)C)n1 ZINC000453261163 331108640 /nfs/dbraw/zinc/10/86/40/331108640.db2.gz YQZBIRHEHFFORO-CYBMUJFWSA-N 0 1 299.418 3.634 20 0 CHADMN Cc1c([C@@H](C)NCC2=CCCCC2)nnn1-c1ccccc1 ZINC000453261166 331108680 /nfs/dbraw/zinc/10/86/80/331108680.db2.gz YQZNLHAMZANCGW-CQSZACIVSA-N 0 1 296.418 3.727 20 0 CHADMN CC[C@H](C)[C@@H](CN[C@@H](C)c1nc2c(s1)CCCC2)OC ZINC000453266193 331109112 /nfs/dbraw/zinc/10/91/12/331109112.db2.gz KXNDRWVWGGMMQP-SGMGOOAPSA-N 0 1 296.480 3.734 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc(F)c(F)c(F)c2)ccn1 ZINC000453293104 331112147 /nfs/dbraw/zinc/11/21/47/331112147.db2.gz PMLCDIBRXLXDMM-SNVBAGLBSA-N 0 1 280.293 3.658 20 0 CHADMN CC/C=C/CN[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000453310862 331114750 /nfs/dbraw/zinc/11/47/50/331114750.db2.gz GGRPXXYKJVDTQR-QRGHLMKCSA-N 0 1 277.799 3.844 20 0 CHADMN CO[C@@](C)(CN[C@@H](C)c1csc(C)n1)c1ccccc1 ZINC000453317067 331115658 /nfs/dbraw/zinc/11/56/58/331115658.db2.gz ILBKSNQEMUAWNB-LRDDRELGSA-N 0 1 290.432 3.664 20 0 CHADMN CCn1ccnc1CN[C@@H]1CCCc2c(C)ccc(C)c21 ZINC000453320096 331116209 /nfs/dbraw/zinc/11/62/09/331116209.db2.gz NBVPZDBFXTZPCM-MRXNPFEDSA-N 0 1 283.419 3.687 20 0 CHADMN COc1cccnc1CN[C@@H]1CC(C)(C)c2ccccc21 ZINC000453346222 331120096 /nfs/dbraw/zinc/12/00/96/331120096.db2.gz AXLCQVZMFFQXDG-OAHLLOKOSA-N 0 1 282.387 3.602 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H](C)c1cc2c(s1)CCC2 ZINC000453347563 331120240 /nfs/dbraw/zinc/12/02/40/331120240.db2.gz KRKUCANSEIFVTM-NWDGAFQWSA-N 0 1 289.448 3.865 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2ccc3c(c2)CCC3)o1 ZINC000453352930 331121033 /nfs/dbraw/zinc/12/10/33/331121033.db2.gz GXUCBQPEXFUDHK-LBPRGKRZSA-N 0 1 270.376 3.577 20 0 CHADMN CCc1ncc(CN[C@H](C)c2cc(C)ccc2C)o1 ZINC000453354543 331121320 /nfs/dbraw/zinc/12/13/20/331121320.db2.gz HPRGHCKRQXTKNB-CYBMUJFWSA-N 0 1 258.365 3.705 20 0 CHADMN CCC[C@@H](NCc1cnc(CC)o1)c1ccsc1 ZINC000453355475 331121523 /nfs/dbraw/zinc/12/15/23/331121523.db2.gz DCIBRFXRKRINOQ-CYBMUJFWSA-N 0 1 264.394 3.930 20 0 CHADMN COc1cccnc1CN[C@H]1CCCCc2ccccc21 ZINC000453356278 331121660 /nfs/dbraw/zinc/12/16/60/331121660.db2.gz IBIAZSUKUGBIKV-INIZCTEOSA-N 0 1 282.387 3.648 20 0 CHADMN CCc1nc(C)c([C@H](C)NCc2cnc(C)cc2C)s1 ZINC000453371061 331124091 /nfs/dbraw/zinc/12/40/91/331124091.db2.gz RSGCTVYJMIJDKR-LBPRGKRZSA-N 0 1 289.448 3.877 20 0 CHADMN COc1cccnc1CN[C@@H]1CCCc2ccc(C)cc21 ZINC000453382818 331126135 /nfs/dbraw/zinc/12/61/35/331126135.db2.gz ZPUJZEHLQLBCPM-MRXNPFEDSA-N 0 1 282.387 3.566 20 0 CHADMN C[C@@H](c1cccc(F)c1F)N1CCC[C@]2(CCOC2)C1 ZINC000453384770 331126426 /nfs/dbraw/zinc/12/64/26/331126426.db2.gz UEDYXOGLVSTUMN-LRDDRELGSA-N 0 1 281.346 3.528 20 0 CHADMN CCc1ncc(CN[C@@H](CC)c2ccc(F)cc2)o1 ZINC000453387958 331126796 /nfs/dbraw/zinc/12/67/96/331126796.db2.gz WIMZDSDUKMPHDQ-AWEZNQCLSA-N 0 1 262.328 3.617 20 0 CHADMN CCc1ncc(CN[C@H](CC)c2ccc(F)cc2)o1 ZINC000453387959 331126867 /nfs/dbraw/zinc/12/68/67/331126867.db2.gz WIMZDSDUKMPHDQ-CQSZACIVSA-N 0 1 262.328 3.617 20 0 CHADMN CCCc1ncc(CN[C@H](C)c2ccccc2C)o1 ZINC000453391840 331127587 /nfs/dbraw/zinc/12/75/87/331127587.db2.gz QRQHPSOMBFFRIJ-CYBMUJFWSA-N 0 1 258.365 3.786 20 0 CHADMN CCCc1ncc(CN[C@H]2CCc3ccc(C)cc32)o1 ZINC000453394053 331127715 /nfs/dbraw/zinc/12/77/15/331127715.db2.gz RWWOYIFBOCWCSZ-INIZCTEOSA-N 0 1 270.376 3.713 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCO[C@@H](c3cccs3)C2)no1 ZINC000453398096 331128320 /nfs/dbraw/zinc/12/83/20/331128320.db2.gz WMYSDNOCPNQZJA-OUCADQQQSA-N 0 1 292.404 3.615 20 0 CHADMN CCc1ncc(CN[C@H]2CCCCc3ccccc32)o1 ZINC000453399477 331128431 /nfs/dbraw/zinc/12/84/31/331128431.db2.gz XRKKZYNWKVBJLX-INIZCTEOSA-N 0 1 270.376 3.794 20 0 CHADMN CCC(C)(C)OCCN[C@H](C)c1nc2c(s1)CCCC2 ZINC000453404111 331129041 /nfs/dbraw/zinc/12/90/41/331129041.db2.gz HSQLMMZRZCIKLF-GFCCVEGCSA-N 0 1 296.480 3.878 20 0 CHADMN CC1(C)C[C@@H](CN[C@H](Cc2ccccc2)C(F)F)CCO1 ZINC000453429912 331131270 /nfs/dbraw/zinc/13/12/70/331131270.db2.gz QPKYAJLMQDBUOB-LSDHHAIUSA-N 0 1 297.389 3.658 20 0 CHADMN CCC1CN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000453611209 331136298 /nfs/dbraw/zinc/13/62/98/331136298.db2.gz ZWLSIDVOFLBJCM-UHFFFAOYSA-N 0 1 258.390 3.652 20 0 CHADMN Cc1nc2ccc(NC(=O)C3=CC[C@@H](C)CC3)cc2[nH]1 ZINC000454441519 331146196 /nfs/dbraw/zinc/14/61/96/331146196.db2.gz SZCSPLDIHPKTSV-SNVBAGLBSA-N 0 1 269.348 3.556 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CC[C@H](CC(C)(C)C)C2)[nH]1 ZINC000457077919 331211697 /nfs/dbraw/zinc/21/16/97/331211697.db2.gz KZCPNZMDZJUMJO-CYBMUJFWSA-N 0 1 299.418 3.770 20 0 CHADMN CC(C)[C@H]1N(C(=O)c2cccc3[nH]cnc32)CC12CCCC2 ZINC000457178607 331213903 /nfs/dbraw/zinc/21/39/03/331213903.db2.gz VHMHULZYGBYMQB-MRXNPFEDSA-N 0 1 297.402 3.604 20 0 CHADMN Cc1ccccc1[C@@H](C)[N@@H+](C)CCn1cc(Cl)cn1 ZINC000459311159 331275781 /nfs/dbraw/zinc/27/57/81/331275781.db2.gz VJCDCXNAWLXLJL-CYBMUJFWSA-N 0 1 277.799 3.538 20 0 CHADMN COCc1cc(CN2CCC[C@@H]2CC2CCCCC2)no1 ZINC000459320966 331276142 /nfs/dbraw/zinc/27/61/42/331276142.db2.gz FXYRXKSTXRLWLF-MRXNPFEDSA-N 0 1 292.423 3.756 20 0 CHADMN CCn1nncc1CN1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC000459345904 331277352 /nfs/dbraw/zinc/27/73/52/331277352.db2.gz SXGYQKCFWAQJQZ-YJBOKZPZSA-N 0 1 298.434 3.580 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1cccc(O)c1Br ZINC000459359459 331278047 /nfs/dbraw/zinc/27/80/47/331278047.db2.gz QQRUIBOAOGZJLO-NXEZZACHSA-N 0 1 284.197 3.528 20 0 CHADMN CC[C@@](C)(NCCOCC1CCCC1)c1nc(C)cs1 ZINC000459384446 331279484 /nfs/dbraw/zinc/27/94/84/331279484.db2.gz HFGRFYWGICGSKU-MRXNPFEDSA-N 0 1 296.480 3.873 20 0 CHADMN CCn1nncc1CN1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000459400168 331279989 /nfs/dbraw/zinc/27/99/89/331279989.db2.gz ZPDHBFKLCGZMHX-GOSISDBHSA-N 0 1 298.434 3.759 20 0 CHADMN Cc1cc(CNCCCCCOC2CCCCC2)no1 ZINC000459404433 331280107 /nfs/dbraw/zinc/28/01/07/331280107.db2.gz MBHAIGBDOMNMDF-UHFFFAOYSA-N 0 1 280.412 3.592 20 0 CHADMN c1cc([C@H]2CCCC[N@@H+]2C[C@@H]2C[C@H]2c2ccccc2)n[nH]1 ZINC000459545389 331286897 /nfs/dbraw/zinc/28/68/97/331286897.db2.gz PTSWSHYUQJMYGE-XYJFISCASA-N 0 1 281.403 3.740 20 0 CHADMN Cc1nc2scc(C3CC3)n2c1CN1CC[C@@H]1C1CC1 ZINC000459577087 331289084 /nfs/dbraw/zinc/28/90/84/331289084.db2.gz LTSROEGBYKUFQN-CYBMUJFWSA-N 0 1 287.432 3.566 20 0 CHADMN CO[C@H]1CCN(Cc2c(F)cc(C)cc2Cl)C[C@H]1C ZINC000459587642 331289504 /nfs/dbraw/zinc/28/95/04/331289504.db2.gz WTLXVRVSNVWHIH-ABAIWWIYSA-N 0 1 285.790 3.644 20 0 CHADMN CCN1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459589419 331289741 /nfs/dbraw/zinc/28/97/41/331289741.db2.gz IPCIIXSDEPCBJO-CYBMUJFWSA-N 0 1 263.772 3.763 20 0 CHADMN C[C@H]1CCCC[C@]1(C)NCc1nc(C2CCCC2)no1 ZINC000459605967 331290270 /nfs/dbraw/zinc/29/02/70/331290270.db2.gz DSYSKZBMJLYMBF-LRDDRELGSA-N 0 1 277.412 3.786 20 0 CHADMN CC(C)(O)C1CN(Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000459608649 331290538 /nfs/dbraw/zinc/29/05/38/331290538.db2.gz IXSKTIQPCLHLFK-UHFFFAOYSA-N 0 1 299.389 3.695 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@]2(C)CCCC[C@@H]2C)n1 ZINC000459621299 331290869 /nfs/dbraw/zinc/29/08/69/331290869.db2.gz WNFHTLSAGKWRAO-YWPYICTPSA-N 0 1 297.468 3.942 20 0 CHADMN COCC1(C)CN(Cc2cc(-c3ccccc3)cs2)C1 ZINC000459621920 331290894 /nfs/dbraw/zinc/29/08/94/331290894.db2.gz MNERLIBPQFKMTP-UHFFFAOYSA-N 0 1 287.428 3.883 20 0 CHADMN c1c2ccccc2oc1CN1CC(COc2ccccc2)C1 ZINC000459628145 331291067 /nfs/dbraw/zinc/29/10/67/331291067.db2.gz CYCHZQAYYQKPHP-UHFFFAOYSA-N 0 1 293.366 3.944 20 0 CHADMN COCCC1(C)CN(Cc2cc3c(cc(C)cc3C)[nH]2)C1 ZINC000459633718 331291281 /nfs/dbraw/zinc/29/12/81/331291281.db2.gz LLLWAIXWMAZOJP-UHFFFAOYSA-N 0 1 286.419 3.643 20 0 CHADMN COCCC1(C)CN(Cc2ccc(Cl)cc2C)C1 ZINC000459634867 331291322 /nfs/dbraw/zinc/29/13/22/331291322.db2.gz NLUJAXDRNKSZPD-UHFFFAOYSA-N 0 1 267.800 3.507 20 0 CHADMN CCC1(C)CN(Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000459637387 331291577 /nfs/dbraw/zinc/29/15/77/331291577.db2.gz RPVBTEDXXKNWBZ-UHFFFAOYSA-N 0 1 285.334 3.529 20 0 CHADMN CC(C)(C)C1CN(Cc2cnc(-c3ccco3)s2)C1 ZINC000459645303 331291844 /nfs/dbraw/zinc/29/18/44/331291844.db2.gz QMIJAUZEWFPUCL-UHFFFAOYSA-N 0 1 276.405 3.881 20 0 CHADMN Cc1csc(CN[C@@H]2C[C@H]2c2c(F)cccc2Cl)n1 ZINC000459666396 331293121 /nfs/dbraw/zinc/29/31/21/331293121.db2.gz MONMRIXWHYYLPI-BXKDBHETSA-N 0 1 296.798 3.890 20 0 CHADMN CCOC[C@H]1CCCCN1Cc1cnc(C(C)C)s1 ZINC000459673100 331293526 /nfs/dbraw/zinc/29/35/26/331293526.db2.gz IQAYQAQHINTMAD-CYBMUJFWSA-N 0 1 282.453 3.658 20 0 CHADMN Cc1csc(CN[C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)n1 ZINC000459755119 331298665 /nfs/dbraw/zinc/29/86/65/331298665.db2.gz NPFXODQUFFHRLK-VXGBXAGGSA-N 0 1 282.453 3.523 20 0 CHADMN CC[C@@H]1OCC[C@H]1NCc1c(Cl)cccc1Cl ZINC000459780033 331300676 /nfs/dbraw/zinc/30/06/76/331300676.db2.gz QSOVWSUDJAAVST-OLZOCXBDSA-N 0 1 274.191 3.651 20 0 CHADMN C[C@@H](O)C[C@H]1CCCCN1Cc1ccc(Cl)cc1F ZINC000165126116 331305952 /nfs/dbraw/zinc/30/59/52/331305952.db2.gz PWVROYWDLDOTHO-BXUZGUMPSA-N 0 1 285.790 3.605 20 0 CHADMN CC[C@@H]1CN(c2ccccc2)CCN1CCC(F)(F)F ZINC000461375846 331312591 /nfs/dbraw/zinc/31/25/91/331312591.db2.gz LDXOMSVEFUMWPR-CYBMUJFWSA-N 0 1 286.341 3.540 20 0 CHADMN CCc1noc([C@@H](C)N2CC[C@H](C)C3(CCCCC3)C2)n1 ZINC000462446464 331322283 /nfs/dbraw/zinc/32/22/83/331322283.db2.gz JYOCQROUZZSBFB-UONOGXRCSA-N 0 1 291.439 3.985 20 0 CHADMN CC(C)c1noc(CN2CC[C@H](C)C3(CCCCC3)C2)n1 ZINC000462474287 331322498 /nfs/dbraw/zinc/32/24/98/331322498.db2.gz MFFGNDUZIAJHPO-AWEZNQCLSA-N 0 1 291.439 3.985 20 0 CHADMN COc1ccc(F)cc1CNC/C=C\c1ccccc1 ZINC000462785624 331328910 /nfs/dbraw/zinc/32/89/10/331328910.db2.gz PZWMFPMTWULMFI-YVMONPNESA-N 0 1 271.335 3.637 20 0 CHADMN COc1ccc(F)cc1CN[C@@H]1CCc2cc(C)ccc21 ZINC000462787806 331329062 /nfs/dbraw/zinc/32/90/62/331329062.db2.gz DKXUEOTVCOJVSI-QGZVFWFLSA-N 0 1 285.362 3.920 20 0 CHADMN CC(C)n1ccc(C[C@H](C)Nc2cc3c(cn2)CCCC3)n1 ZINC000462959160 331335883 /nfs/dbraw/zinc/33/58/83/331335883.db2.gz YLBHQWXSLAQFQH-AWEZNQCLSA-N 0 1 298.434 3.781 20 0 CHADMN FCC[C@H]1CCC[C@@H]1Nc1cc2c(cn1)CCCC2 ZINC000462961585 331336132 /nfs/dbraw/zinc/33/61/32/331336132.db2.gz FVDUBIPCSYNTGV-DOMZBBRYSA-N 0 1 262.372 3.901 20 0 CHADMN Cc1cc(NC[C@H](C)CCO)c2cc(Cl)cc(C)c2n1 ZINC000463012969 331336966 /nfs/dbraw/zinc/33/69/66/331336966.db2.gz RNASQWDWZCPVHY-SNVBAGLBSA-N 0 1 292.810 3.935 20 0 CHADMN CC[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@@H]1CCOC1 ZINC000463042841 331338434 /nfs/dbraw/zinc/33/84/34/331338434.db2.gz LVKZBSXTEOGMQV-MRXNPFEDSA-N 0 1 261.409 3.595 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1CC(=O)Nc1ccccc1F ZINC000464739102 331365842 /nfs/dbraw/zinc/36/58/42/331365842.db2.gz OIMDEHXJIHYHIC-BBRMVZONSA-N 0 1 292.398 3.665 20 0 CHADMN CC(C)[C@@H]1CN(CCOc2ccccc2Cl)CCS1 ZINC000464769359 331366980 /nfs/dbraw/zinc/36/69/80/331366980.db2.gz HJFBUIMZXQWIGT-HNNXBMFYSA-N 0 1 299.867 3.792 20 0 CHADMN CC[C@@]1(C)CCCN(CC(=O)Nc2cccc(Cl)c2)C1 ZINC000464774864 331367490 /nfs/dbraw/zinc/36/74/90/331367490.db2.gz LBHZMVPHGUIVBX-INIZCTEOSA-N 0 1 294.826 3.791 20 0 CHADMN CCC[C@@]1(C)CCCN([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000464838056 331370364 /nfs/dbraw/zinc/37/03/64/331370364.db2.gz MSHFWZFEFYFIRP-QAPCUYQASA-N 0 1 288.435 3.916 20 0 CHADMN CCC(C)(C)CC(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000465125574 331379201 /nfs/dbraw/zinc/37/92/01/331379201.db2.gz AUVQOMZRUHNAGD-UHFFFAOYSA-N 0 1 286.379 3.545 20 0 CHADMN Cc1ccc2nc(CNC(=O)C[C@H]3CCC[C@H](C)C3)[nH]c2c1 ZINC000465201644 331380377 /nfs/dbraw/zinc/38/03/77/331380377.db2.gz YNEMXJZKGDLQNJ-JSGCOSHPSA-N 0 1 299.418 3.704 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000465299035 331381868 /nfs/dbraw/zinc/38/18/68/331381868.db2.gz RQLFUPOYYZLJHW-UKRRQHHQSA-N 0 1 297.402 3.646 20 0 CHADMN CC(C)C[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000465316982 331382273 /nfs/dbraw/zinc/38/22/73/331382273.db2.gz KHGSZEKUEKFNTL-AWEZNQCLSA-N 0 1 297.402 3.585 20 0 CHADMN CCC[C@@H]1CCCN(Cc2ncc(C(C)(C)C)o2)C1 ZINC000466484283 331398268 /nfs/dbraw/zinc/39/82/68/331398268.db2.gz ZNGQHXOUEGBZNL-CYBMUJFWSA-N 0 1 264.413 3.984 20 0 CHADMN CC[C@H](N[C@H](C)c1ccc(SC)cc1)c1ccn(C)n1 ZINC000467445957 331419659 /nfs/dbraw/zinc/41/96/59/331419659.db2.gz UMSWUQTZMDWNPD-DOMZBBRYSA-N 0 1 289.448 3.944 20 0 CHADMN C[C@@H]1CCC[C@@H]1CN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000467448844 331419979 /nfs/dbraw/zinc/41/99/79/331419979.db2.gz YTIIHACPVRDKPQ-XPKDYRNWSA-N 0 1 287.382 3.664 20 0 CHADMN CCC[C@](C)(CC)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000474196984 331574927 /nfs/dbraw/zinc/57/49/27/331574927.db2.gz JXUFIJZSWRPENU-CJNGLKHVSA-N 0 1 296.480 3.683 20 0 CHADMN CCc1cccc(Cl)c1CNCc1cccc(O)c1 ZINC000474354091 331581467 /nfs/dbraw/zinc/58/14/67/331581467.db2.gz NPHXNVJUIMXVKV-UHFFFAOYSA-N 0 1 275.779 3.898 20 0 CHADMN CCc1cccc(Cl)c1CNCc1ccc(O)cc1 ZINC000474359143 331581753 /nfs/dbraw/zinc/58/17/53/331581753.db2.gz VMMMYBQDTHFHBM-UHFFFAOYSA-N 0 1 275.779 3.898 20 0 CHADMN C[C@H]1CCC[C@H]1CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000474427303 331586410 /nfs/dbraw/zinc/58/64/10/331586410.db2.gz PCPMFPJESHDTMN-IUCAKERBSA-N 0 1 285.746 3.950 20 0 CHADMN CC1(c2ccc(Cl)cc2)CCN(Cc2cc[nH]n2)CC1 ZINC000475292394 331622779 /nfs/dbraw/zinc/62/27/79/331622779.db2.gz FODFTDBDZWDHMJ-UHFFFAOYSA-N 0 1 289.810 3.617 20 0 CHADMN Cc1ccn2cc(CN[C@H]3CCc4c3cccc4C)nc2c1 ZINC000482496211 331835254 /nfs/dbraw/zinc/83/52/54/331835254.db2.gz NWHOGBCWKKJXJI-SFHVURJKSA-N 0 1 291.398 3.728 20 0 CHADMN CC(C)CC[C@H](O)CN[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000482814923 331847273 /nfs/dbraw/zinc/84/72/73/331847273.db2.gz LYXCTAOTBYIJRG-STQMWFEESA-N 0 1 298.496 3.888 20 0 CHADMN Fc1ccc2c(c1)[C@H](N1CCN(c3ccccc3)CC1)CC2 ZINC000482832178 331847568 /nfs/dbraw/zinc/84/75/68/331847568.db2.gz OZUSCHTZKUSXNF-LJQANCHMSA-N 0 1 296.389 3.635 20 0 CHADMN CCCC(C)(C)CC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000486378474 331936180 /nfs/dbraw/zinc/93/61/80/331936180.db2.gz LENZGZJVKFRQJO-ZDUSSCGKSA-N 0 1 296.480 3.683 20 0 CHADMN C[C@H](NC/C=C\c1ccncc1)c1c(F)cccc1F ZINC000486943894 331950952 /nfs/dbraw/zinc/95/09/52/331950952.db2.gz YGGUHTBQOOEMSA-MVZIDQBPSA-N 0 1 274.314 3.724 20 0 CHADMN COc1ccc(OC)c(CNCc2cc(Cl)cs2)c1 ZINC000486975016 331953343 /nfs/dbraw/zinc/95/33/43/331953343.db2.gz XQRLEWNRILZVFW-UHFFFAOYSA-N 0 1 297.807 3.709 20 0 CHADMN Cc1csc([C@@H](NC/C=C\c2ccncc2)C2CC2)n1 ZINC000487301186 331964380 /nfs/dbraw/zinc/96/43/80/331964380.db2.gz XLZUYIMNYPBICI-GWQWAINWSA-N 0 1 285.416 3.601 20 0 CHADMN COc1ccc(CN(C)Cc2cc3ccc(F)cc3[nH]2)cc1 ZINC000488362185 332001961 /nfs/dbraw/zinc/00/19/61/332001961.db2.gz XNPDFENLNJVPFC-UHFFFAOYSA-N 0 1 298.361 3.948 20 0 CHADMN CC(C)c1csc(CN[C@H]2CS[C@@H](C(C)C)C2)n1 ZINC000488427186 332007182 /nfs/dbraw/zinc/00/71/82/332007182.db2.gz FTCSEBYQQYINEL-DGCLKSJQSA-N 0 1 284.494 3.886 20 0 CHADMN COc1cccc(Cl)c1CN[C@H]1CS[C@@H](C(C)C)C1 ZINC000488545651 332016647 /nfs/dbraw/zinc/01/66/47/332016647.db2.gz PPPCMEHIZSBUII-IAQYHMDHSA-N 0 1 299.867 3.968 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488594068 332019769 /nfs/dbraw/zinc/01/97/69/332019769.db2.gz UYBCRZOAZIAPEA-GFCCVEGCSA-N 0 1 283.350 3.895 20 0 CHADMN CCCCS[C@@H](C)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488897562 332032583 /nfs/dbraw/zinc/03/25/83/332032583.db2.gz BRNGTCXPPAJZJZ-VIFPVBQESA-N 0 1 295.383 3.562 20 0 CHADMN O=C(CC1=CCCCC1)Nc1nc2ccc(F)cc2[nH]1 ZINC000488899758 332032826 /nfs/dbraw/zinc/03/28/26/332032826.db2.gz LYVLPVUHZBKTBM-UHFFFAOYSA-N 0 1 273.311 3.531 20 0 CHADMN CCC(CC)[C@H](C)C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000489197637 332043248 /nfs/dbraw/zinc/04/32/48/332043248.db2.gz XDFFSQKASWTECE-SDDRHHMPSA-N 0 1 294.443 3.568 20 0 CHADMN CC[C@H](CC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1)C(C)C ZINC000489293778 332045709 /nfs/dbraw/zinc/04/57/09/332045709.db2.gz ZACIKIVCOWIHSV-YNEHKIRRSA-N 0 1 294.443 3.568 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)N(Cc3nc(C(C)C)no3)C2)cc1 ZINC000490091689 332081232 /nfs/dbraw/zinc/08/12/32/332081232.db2.gz MTIYMTJZWFNBOO-GOEBONIOSA-N 0 1 299.418 3.879 20 0 CHADMN CCS[C@@H](C)c1noc(CN(C)C2(C)CCCC2)n1 ZINC000490213865 332084613 /nfs/dbraw/zinc/08/46/13/332084613.db2.gz ARJAUXNNPWGDJG-NSHDSACASA-N 0 1 283.441 3.648 20 0 CHADMN Cc1nc2c(s1)[C@@H](N(C)Cc1ccoc1C)CCC2 ZINC000490425418 332089176 /nfs/dbraw/zinc/08/91/76/332089176.db2.gz XXJMJOCXIIGKTN-AWEZNQCLSA-N 0 1 276.405 3.862 20 0 CHADMN Cc1cc([C@@H]2C[N@@H+](CC3CCCC3)CCO2)ccc1F ZINC000491216798 332167471 /nfs/dbraw/zinc/16/74/71/332167471.db2.gz BUFJMJRRNOYSGG-KRWDZBQOSA-N 0 1 277.383 3.698 20 0 CHADMN Cc1cc([C@@H]2CN(CC3CCCC3)CCO2)ccc1F ZINC000491216798 332167473 /nfs/dbraw/zinc/16/74/73/332167473.db2.gz BUFJMJRRNOYSGG-KRWDZBQOSA-N 0 1 277.383 3.698 20 0 CHADMN COCCN[C@@H](c1ccc(C)cc1)c1ccccc1Cl ZINC000491304964 332186243 /nfs/dbraw/zinc/18/62/43/332186243.db2.gz LPUIHBOYXKDANT-KRWDZBQOSA-N 0 1 289.806 3.974 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1ccc(Cl)cc1 ZINC000172109116 335095309 /nfs/dbraw/zinc/09/53/09/335095309.db2.gz SWBDCITVNFCURG-UHFFFAOYSA-N 0 1 282.126 3.951 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1ccc(F)cc1F ZINC000172111826 335095372 /nfs/dbraw/zinc/09/53/72/335095372.db2.gz RVLWMYLURUJATF-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C=Cc1ccc(C)cc1 ZINC000492339415 332393225 /nfs/dbraw/zinc/39/32/25/332393225.db2.gz HVUOTSBXWGYIAM-BQYQJAHWSA-N 0 1 291.301 3.616 20 0 CHADMN C[C@H](N[C@]1(C)CCO[C@@H]1C)c1ncc(-c2ccccc2)o1 ZINC000494251822 332468218 /nfs/dbraw/zinc/46/82/18/332468218.db2.gz SZNRDYYGAXJDON-OGHNNQOOSA-N 0 1 286.375 3.560 20 0 CHADMN CCOc1c(Cl)cccc1CN1CCCCC1 ZINC000494989041 332498155 /nfs/dbraw/zinc/49/81/55/332498155.db2.gz ZWNXSFHVAUYIKI-UHFFFAOYSA-N 0 1 253.773 3.725 20 0 CHADMN C[C@@H]1C[C@@H](Nc2ccccc2CN2CCSCC2)[C@@H]1C ZINC000494998400 332498933 /nfs/dbraw/zinc/49/89/33/332498933.db2.gz PENKQOWMAIXNGM-CKEIUWERSA-N 0 1 290.476 3.692 20 0 CHADMN CC(C)OC[C@H](C)N[C@H](C)c1c(F)cccc1Cl ZINC000501446058 332632310 /nfs/dbraw/zinc/63/23/10/332632310.db2.gz AJFJPBNBPCSOIV-WDEREUQCSA-N 0 1 273.779 3.943 20 0 CHADMN C[C@H](NCc1ccc2c(c1)CCC2)c1nc2c(s1)CCC2 ZINC000502014421 332645315 /nfs/dbraw/zinc/64/53/15/332645315.db2.gz FGLYNMOICWCZDK-LBPRGKRZSA-N 0 1 298.455 3.971 20 0 CHADMN FC(F)n1ccnc1CNC1(c2ccccc2)CCCC1 ZINC000172630523 335113541 /nfs/dbraw/zinc/11/35/41/335113541.db2.gz AYOVSAZTPSUSKH-UHFFFAOYSA-N 0 1 291.345 3.837 20 0 CHADMN COc1cc(-c2ccccc2)ccc1CN1CCSCC1 ZINC000512768998 332984759 /nfs/dbraw/zinc/98/47/59/332984759.db2.gz MSEVEZGUYLMKJB-UHFFFAOYSA-N 0 1 299.439 3.911 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1N[C@@H]1CCOC1 ZINC000512865925 332990705 /nfs/dbraw/zinc/99/07/05/332990705.db2.gz WNVCIRLFDBOHSZ-OAHLLOKOSA-N 0 1 274.408 3.576 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000336716403 335115116 /nfs/dbraw/zinc/11/51/16/335115116.db2.gz PGAZVQFZZCSKGI-HFTRVMKXSA-N 0 1 298.430 3.902 20 0 CHADMN Clc1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)cc1Cl ZINC000575800628 335116245 /nfs/dbraw/zinc/11/62/45/335116245.db2.gz VOJUOOXSUUERKX-RISCZKNCSA-N 0 1 286.202 3.604 20 0 CHADMN CCc1ccc([C@H]2CCC[N@@H+](Cc3cc(C)no3)C2)cc1 ZINC000513418314 333018375 /nfs/dbraw/zinc/01/83/75/333018375.db2.gz AYZRXUIBZRUYKA-KRWDZBQOSA-N 0 1 284.403 3.925 20 0 CHADMN CCC(C)(C)OCCN[C@H](c1ccccc1)c1ccccn1 ZINC000308551184 333035078 /nfs/dbraw/zinc/03/50/78/333035078.db2.gz XLGDOVRZQGRVNW-GOSISDBHSA-N 0 1 298.430 3.966 20 0 CHADMN COc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1C ZINC000513867532 333044558 /nfs/dbraw/zinc/04/45/58/333044558.db2.gz HVPYFLRKGGMGQM-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN Clc1c2ccccc2sc1CSc1cn[nH]n1 ZINC000177375469 333058243 /nfs/dbraw/zinc/05/82/43/333058243.db2.gz KRYMBWUDRARTIQ-UHFFFAOYSA-N 0 1 281.793 3.965 20 0 CHADMN CC[C@@H](CN[C@@H](C)c1c(F)cccc1Cl)OC ZINC000310466389 333058702 /nfs/dbraw/zinc/05/87/02/333058702.db2.gz GXRCOIAYZQDCPG-UWVGGRQHSA-N 0 1 259.752 3.555 20 0 CHADMN C[C@@H](NCCOCC(F)F)c1cc(Cl)ccc1Cl ZINC000310599127 333060199 /nfs/dbraw/zinc/06/01/99/333060199.db2.gz QWLJJNOPIVVADG-MRVPVSSYSA-N 0 1 298.160 3.926 20 0 CHADMN COc1cccc(Cl)c1CN(C)CCC1CC1 ZINC000514076500 333064859 /nfs/dbraw/zinc/06/48/59/333064859.db2.gz ZHNIIQYPYULUIP-UHFFFAOYSA-N 0 1 253.773 3.581 20 0 CHADMN C[C@H]1CCCC[C@@H]1OCC[N@H+]1CCc2ccccc2C1 ZINC000514070122 333063915 /nfs/dbraw/zinc/06/39/15/333063915.db2.gz PBEAPCWHVWCWOF-YJBOKZPZSA-N 0 1 273.420 3.640 20 0 CHADMN C[C@@H](c1cccc(Br)c1)N1CCCO[C@H](C)C1 ZINC000177959862 333065988 /nfs/dbraw/zinc/06/59/88/333065988.db2.gz IEUPCCAHTWKCIG-NEPJUHHUSA-N 0 1 298.224 3.621 20 0 CHADMN Fc1ccc(CCN2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000177946964 333066088 /nfs/dbraw/zinc/06/60/88/333066088.db2.gz MXRQNVQBVNAUKM-LLVKDONJSA-N 0 1 293.279 3.782 20 0 CHADMN C[C@@H]1CSC[C@H]1N[C@@H](c1ccco1)c1ccccc1 ZINC000311572723 333069959 /nfs/dbraw/zinc/06/99/59/333069959.db2.gz RGFCMSYBTXBGLS-XNRPHZJLSA-N 0 1 273.401 3.710 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H]1C)c1nc(C(C)(C)C)no1 ZINC000178637572 333076269 /nfs/dbraw/zinc/07/62/69/333076269.db2.gz PFKSICYQKDTCPZ-GRYCIOLGSA-N 0 1 265.401 3.596 20 0 CHADMN O=C([O-])CCCCC[N@@H+](CC1CC1)C1CCCCC1 ZINC000516776661 333082335 /nfs/dbraw/zinc/08/23/35/333082335.db2.gz CBSKUDGVPHJWKA-UHFFFAOYSA-N 0 1 267.413 3.676 20 0 CHADMN CC(C)[C@H]1CN([C@H](C)c2c(F)cccc2F)CCCO1 ZINC000516788910 333082658 /nfs/dbraw/zinc/08/26/58/333082658.db2.gz BKUXXZDBOUZNRF-IUODEOHRSA-N 0 1 283.362 3.773 20 0 CHADMN CC(C)[C@@H]1CN([C@H](C)c2c(F)cccc2F)CCCO1 ZINC000516788909 333082670 /nfs/dbraw/zinc/08/26/70/333082670.db2.gz BKUXXZDBOUZNRF-DOMZBBRYSA-N 0 1 283.362 3.773 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000516872832 333084801 /nfs/dbraw/zinc/08/48/01/333084801.db2.gz QSNJBRAPTKFPAV-CMPLNLGQSA-N 0 1 291.372 3.937 20 0 CHADMN CCC[C@@H](CC)S(=O)(=O)Nc1ncsc1C(C)C ZINC000517154609 333093528 /nfs/dbraw/zinc/09/35/28/333093528.db2.gz QBJKRHABFVYCMV-SNVBAGLBSA-N 0 1 290.454 3.587 20 0 CHADMN CCC[C@H](CC)S(=O)(=O)Nc1ncsc1C(C)C ZINC000517154599 333093569 /nfs/dbraw/zinc/09/35/69/333093569.db2.gz QBJKRHABFVYCMV-JTQLQIEISA-N 0 1 290.454 3.587 20 0 CHADMN CSc1ccc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000517628990 333104252 /nfs/dbraw/zinc/10/42/52/333104252.db2.gz PDGJTPFHQPKYAH-JKSUJKDBSA-N 0 1 291.460 3.798 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1CCCOc1cccc(Cl)c1 ZINC000520845079 333105368 /nfs/dbraw/zinc/10/53/68/333105368.db2.gz BBKQVVYXTZPXSK-UKRRQHHQSA-N 0 1 297.826 3.608 20 0 CHADMN c1csc(-c2n[nH]cc2CNc2cc3c(cn2)CCC3)c1 ZINC000520847766 333106985 /nfs/dbraw/zinc/10/69/85/333106985.db2.gz REONEVZBUVHETL-UHFFFAOYSA-N 0 1 296.399 3.634 20 0 CHADMN CCc1cc(CN[C@@H]2CCCc3c4ccccc4[nH]c32)on1 ZINC000564147254 333113191 /nfs/dbraw/zinc/11/31/91/333113191.db2.gz GZSVSAJNKBDWJL-QGZVFWFLSA-N 0 1 295.386 3.886 20 0 CHADMN C[C@@H](N[C@@H](C)CCC1CC1)c1nc(C(C)(C)C)no1 ZINC000184066011 333124802 /nfs/dbraw/zinc/12/48/02/333124802.db2.gz ANQJUSFRMGSTOP-WDEREUQCSA-N 0 1 265.401 3.596 20 0 CHADMN CCc1oc2ccccc2c1CN(C)[C@H](C)c1cnccn1 ZINC000184390080 333128077 /nfs/dbraw/zinc/12/80/77/333128077.db2.gz QNFSAMRBYOMGFL-CYBMUJFWSA-N 0 1 295.386 3.978 20 0 CHADMN CCc1nc([C@H](C)N[C@@H]2C[C@H](OC(C)C)C2(C)C)cs1 ZINC000185223942 333137031 /nfs/dbraw/zinc/13/70/31/333137031.db2.gz MYVGPBKQAZPHER-YUTCNCBUSA-N 0 1 296.480 3.948 20 0 CHADMN CCC1(CC)CN([C@@H](C)c2ccccc2C)CC[S@@]1=O ZINC000185251285 333137521 /nfs/dbraw/zinc/13/75/21/333137521.db2.gz TZKXOHNKSWQGTO-YWZLYKJASA-N 0 1 293.476 3.679 20 0 CHADMN COc1ccsc1[C@@H](C)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000186136482 333155550 /nfs/dbraw/zinc/15/55/50/333155550.db2.gz NKSUDBKZIOQRHZ-ZIAGYGMSSA-N 0 1 296.480 3.528 20 0 CHADMN CCC(CC)[C@@H](O)CN[C@H](C)c1csc(C(C)C)n1 ZINC000186333435 333158764 /nfs/dbraw/zinc/15/87/64/333158764.db2.gz STSHOVUOSGMCIU-RISCZKNCSA-N 0 1 284.469 3.714 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@]2(C)CCCC[C@@H]2O)cs1 ZINC000186373403 333159748 /nfs/dbraw/zinc/15/97/48/333159748.db2.gz WTWSORCCWNLMTA-NOLJZWGESA-N 0 1 296.480 3.858 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@@H]2CCCS2)cs1 ZINC000186382529 333159786 /nfs/dbraw/zinc/15/97/86/333159786.db2.gz OJWQUNMDDQWZQL-QWRGUYRKSA-N 0 1 270.467 3.813 20 0 CHADMN Cc1ccc(SC[C@@H](C)N[C@H](C)c2nccn2C)cc1 ZINC000186469376 333161554 /nfs/dbraw/zinc/16/15/54/333161554.db2.gz GCKHFIQZVJCVRR-ZIAGYGMSSA-N 0 1 289.448 3.560 20 0 CHADMN Cc1ccc(NS(=O)(=O)c2c(C)cccc2F)c(C)c1 ZINC000186901580 333166361 /nfs/dbraw/zinc/16/63/61/333166361.db2.gz LEUPITZPSCEIBO-UHFFFAOYSA-N 0 1 293.363 3.552 20 0 CHADMN CCC(CC)NC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000187334698 333169629 /nfs/dbraw/zinc/16/96/29/333169629.db2.gz XDXKHMQKQBKDLD-UHFFFAOYSA-N 0 1 297.811 3.710 20 0 CHADMN Cc1cc(CC(=O)NC(C)(C)CC2CCCCCC2)[nH]n1 ZINC000188900823 333175666 /nfs/dbraw/zinc/17/56/66/333175666.db2.gz SPTRCRSCMJRAGQ-UHFFFAOYSA-N 0 1 291.439 3.516 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)Nc1cccc(C(C)C)c1 ZINC000188929403 333176385 /nfs/dbraw/zinc/17/63/85/333176385.db2.gz IVSGUHIEUGVIAZ-UHFFFAOYSA-N 0 1 271.364 3.909 20 0 CHADMN COc1ccc(CN[C@@H]2CCc3ccccc32)c(F)c1 ZINC000222279119 333179583 /nfs/dbraw/zinc/17/95/83/333179583.db2.gz KENUUNZOQODIKY-QGZVFWFLSA-N 0 1 271.335 3.611 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(OC)cc2F)cc1 ZINC000222284031 333179628 /nfs/dbraw/zinc/17/96/28/333179628.db2.gz AQHZNMXJOKOBIX-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN CC[C@@H]1CCN(C(=O)c2cc(-c3ccc(C)cc3C)[nH]n2)C1 ZINC000189208203 333184998 /nfs/dbraw/zinc/18/49/98/333184998.db2.gz NZJKGYPXMHWYGQ-CQSZACIVSA-N 0 1 297.402 3.566 20 0 CHADMN O=C([O-])CCC[N@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000521762138 333187154 /nfs/dbraw/zinc/18/71/54/333187154.db2.gz YETMIIACGWMTTO-UJGDBWEASA-N 0 1 287.403 3.809 20 0 CHADMN O=C([O-])CCC[N@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000521762136 333187232 /nfs/dbraw/zinc/18/72/32/333187232.db2.gz YETMIIACGWMTTO-MUSGIIIZSA-N 0 1 287.403 3.809 20 0 CHADMN CCC(CC)[N@@H+](Cc1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000521886809 333195914 /nfs/dbraw/zinc/19/59/14/333195914.db2.gz MOJFDZXTZYHQAB-UHFFFAOYSA-N 0 1 279.355 3.677 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCSC[C@H](C)C1 ZINC000190424416 333206768 /nfs/dbraw/zinc/20/67/68/333206768.db2.gz QAWHENNYJMVNPS-MNOVXSKESA-N 0 1 271.376 3.711 20 0 CHADMN CC[C@@H]1CCC[C@H](N[C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000191569759 333221605 /nfs/dbraw/zinc/22/16/05/333221605.db2.gz GBTKQNHQTAKCEI-XQQFMLRXSA-N 0 1 279.428 3.987 20 0 CHADMN C[C@@H](N[C@@H](C)CC1CC1)c1nc(C2CCCCC2)no1 ZINC000191578189 333221744 /nfs/dbraw/zinc/22/17/44/333221744.db2.gz YMYLSKQJRVKAQS-NWDGAFQWSA-N 0 1 277.412 3.957 20 0 CHADMN CCCC[C@H](C)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000191575517 333221876 /nfs/dbraw/zinc/22/18/76/333221876.db2.gz ZXKRXXIZFXEQKK-WDEREUQCSA-N 0 1 253.390 3.596 20 0 CHADMN CCC(CC)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000191580948 333221927 /nfs/dbraw/zinc/22/19/27/333221927.db2.gz ICPZLSTWNUWKOK-NSHDSACASA-N 0 1 265.401 3.957 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)o1 ZINC000191661508 333223160 /nfs/dbraw/zinc/22/31/60/333223160.db2.gz OTMUNPZXZUBTRP-LBPRGKRZSA-N 0 1 275.314 3.998 20 0 CHADMN CCc1ccc(CNCc2nn(CC)c3ccccc23)s1 ZINC000225313847 333234967 /nfs/dbraw/zinc/23/49/67/333234967.db2.gz OGANGXRITXLXCC-UHFFFAOYSA-N 0 1 299.443 3.970 20 0 CHADMN CC[C@@H]1CN(CCCOc2cc(C)cc(C)c2)C[C@@H](C)O1 ZINC000522083328 333239336 /nfs/dbraw/zinc/23/93/36/333239336.db2.gz OEPMNRQXXDSDNP-IAGOWNOFSA-N 0 1 291.435 3.572 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@H]1COCc2ccccc21 ZINC000225979656 333244076 /nfs/dbraw/zinc/24/40/76/333244076.db2.gz VNUXXQHUFJDZBQ-KSSFIOAISA-N 0 1 267.372 3.917 20 0 CHADMN Cc1cccc([C@H](C)N[C@H]2COCc3ccccc32)c1 ZINC000226005653 333245152 /nfs/dbraw/zinc/24/51/52/333245152.db2.gz HJKYMKWIDGCSLV-KSSFIOAISA-N 0 1 267.372 3.917 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N(Cc1cnn(C)c1)C1CC1 ZINC000195099726 333245379 /nfs/dbraw/zinc/24/53/79/333245379.db2.gz ABZLKXQEEADCNB-LBPRGKRZSA-N 0 1 289.810 3.799 20 0 CHADMN CCn1ncnc1CN1CCC[C@H]1CCC1CCCCC1 ZINC000193406074 333249598 /nfs/dbraw/zinc/24/95/98/333249598.db2.gz ZLXGVHUXCCLYDJ-INIZCTEOSA-N 0 1 290.455 3.623 20 0 CHADMN COc1cc(CN2CCC[C@@H](C(F)(F)F)C2)ccc1C ZINC000193613317 333254250 /nfs/dbraw/zinc/25/42/50/333254250.db2.gz NUNGWFKPBKVAJN-CYBMUJFWSA-N 0 1 287.325 3.778 20 0 CHADMN CC(C)(C)CCN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000522209020 333264290 /nfs/dbraw/zinc/26/42/90/333264290.db2.gz POBJMORGEWQSHP-HNNXBMFYSA-N 0 1 265.372 3.635 20 0 CHADMN CC[N@@H+](CC(=O)Nc1c(C)cccc1C(C)C)C(C)C ZINC000194090582 333265027 /nfs/dbraw/zinc/26/50/27/333265027.db2.gz DJJXWSBWXLNBCA-UHFFFAOYSA-N 0 1 276.424 3.787 20 0 CHADMN C[C@@H](Sc1nc(C2CC2)n[nH]1)c1cccc(F)c1 ZINC000194197110 333267395 /nfs/dbraw/zinc/26/73/95/333267395.db2.gz BJAMORULNKQPSS-MRVPVSSYSA-N 0 1 263.341 3.675 20 0 CHADMN C[C@@H](Sc1n[nH]c(C2CC2)n1)c1cccc(F)c1 ZINC000194197110 333267396 /nfs/dbraw/zinc/26/73/96/333267396.db2.gz BJAMORULNKQPSS-MRVPVSSYSA-N 0 1 263.341 3.675 20 0 CHADMN Cc1ccc(F)c(CNCc2cccc3cccnc32)c1 ZINC000227285985 333279669 /nfs/dbraw/zinc/27/96/69/333279669.db2.gz PRGOCIHXNIEMAB-UHFFFAOYSA-N 0 1 280.346 3.972 20 0 CHADMN CCN(Cc1ccco1)[C@H](C)c1cccc(OC)c1 ZINC000194986554 333281102 /nfs/dbraw/zinc/28/11/02/333281102.db2.gz IXPSVBCBGVWFKY-CYBMUJFWSA-N 0 1 259.349 3.871 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N(C)CCc1ccccn1 ZINC000194985973 333281134 /nfs/dbraw/zinc/28/11/34/333281134.db2.gz NNXMOZCUJGVNIO-LBPRGKRZSA-N 0 1 276.330 3.595 20 0 CHADMN Cc1c2ccccc2n(C)c1CN[C@H](C)c1ccccn1 ZINC000227517696 333284329 /nfs/dbraw/zinc/28/43/29/333284329.db2.gz LVMZZNYNGWRKTH-CQSZACIVSA-N 0 1 279.387 3.733 20 0 CHADMN C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227815762 333288632 /nfs/dbraw/zinc/28/86/32/333288632.db2.gz BEJZXOPWQKAIMI-DVOMOZLQSA-N 0 1 289.419 3.698 20 0 CHADMN CC(C)N(C)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000198663581 333289374 /nfs/dbraw/zinc/28/93/74/333289374.db2.gz AOXSDKLVABRPAL-UHFFFAOYSA-N 0 1 298.386 3.758 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000522599895 333292125 /nfs/dbraw/zinc/29/21/25/333292125.db2.gz UYLPJMMCUQYGQO-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN c1ccc([C@@H]2CCCN2Cc2cnc3ccccc3c2)nc1 ZINC000522648836 333294770 /nfs/dbraw/zinc/29/47/70/333294770.db2.gz FXWFPWDFMYMDIF-IBGZPJMESA-N 0 1 289.382 3.967 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c1C ZINC000522853581 333296983 /nfs/dbraw/zinc/29/69/83/333296983.db2.gz RRTQHHMMVHSNJM-LBPRGKRZSA-N 0 1 299.418 3.513 20 0 CHADMN CCCCN(C(=O)c1c(O)cccc1F)c1ccccc1 ZINC000229000152 333299917 /nfs/dbraw/zinc/29/99/17/333299917.db2.gz GNQLDLCZTMUVIL-UHFFFAOYSA-N 0 1 287.334 3.978 20 0 CHADMN CC1CC(NCc2c(F)ccc(Br)c2F)C1 ZINC000230310621 333316324 /nfs/dbraw/zinc/31/63/24/333316324.db2.gz PGCQXUFUHAEUOP-UHFFFAOYSA-N 0 1 290.151 3.615 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCCN1Cc1ccc(F)c(Cl)c1 ZINC000231084794 333323939 /nfs/dbraw/zinc/32/39/39/333323939.db2.gz CYHSFLNTXDKOKK-YPMHNXCESA-N 0 1 285.790 3.605 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000300282458 333324385 /nfs/dbraw/zinc/32/43/85/333324385.db2.gz CVJLNIDNHAVCGE-DOTOQJQBSA-N 0 1 293.382 3.710 20 0 CHADMN CCCCc1nc(CN(C)C[C@H](C)CC)cs1 ZINC000523607734 333334004 /nfs/dbraw/zinc/33/40/04/333334004.db2.gz TUUINHSDZFXJQA-GFCCVEGCSA-N 0 1 254.443 3.964 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1cc(Cl)ccc1F ZINC000231750554 333329026 /nfs/dbraw/zinc/32/90/26/333329026.db2.gz JKOXRURZAVZOIU-SSDOTTSWSA-N 0 1 269.669 3.910 20 0 CHADMN CCCN1C(=O)N=NC1SCc1ccc2ccccc2c1 ZINC000523497289 333330093 /nfs/dbraw/zinc/33/00/93/333330093.db2.gz YSYKCTLKVWZNON-UHFFFAOYSA-N 0 1 299.399 3.839 20 0 CHADMN CC[C@H]1CN(CCOc2ccc3ccccc3c2)C[C@@H](C)O1 ZINC000523582644 333333510 /nfs/dbraw/zinc/33/35/10/333333510.db2.gz ARYIEWRNPVXTFD-QAPCUYQASA-N 0 1 299.414 3.718 20 0 CHADMN CC[C@@H](C)CN(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000523609408 333334033 /nfs/dbraw/zinc/33/40/33/333334033.db2.gz NQJVUDUYXDBOLG-GFCCVEGCSA-N 0 1 273.380 3.523 20 0 CHADMN CC[C@H](C)CN(C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000523607762 333334210 /nfs/dbraw/zinc/33/42/10/333334210.db2.gz VMSHTXHPYXGIGQ-AWEZNQCLSA-N 0 1 290.451 3.901 20 0 CHADMN CC[C@H]1COCCN1CCCSc1ccccc1Cl ZINC000523760132 333344307 /nfs/dbraw/zinc/34/43/07/333344307.db2.gz DBTQPTJMMWTUDF-ZDUSSCGKSA-N 0 1 299.867 3.933 20 0 CHADMN CC(C)Cc1noc(CN2CCC[C@H](C(C)(C)C)CC2)n1 ZINC000303622113 333344511 /nfs/dbraw/zinc/34/45/11/333344511.db2.gz DHMUYUPKPAAWDN-AWEZNQCLSA-N 0 1 293.455 3.916 20 0 CHADMN CSC1(CN2CC=C(c3c(F)cccc3F)CC2)CC1 ZINC000575955350 335134975 /nfs/dbraw/zinc/13/49/75/335134975.db2.gz FIHNGYSGJXVGPI-UHFFFAOYSA-N 0 1 295.398 3.950 20 0 CHADMN C[C@H](CSc1nc(C(C)(C)C)n[nH]1)c1ccccc1 ZINC000523932407 333349588 /nfs/dbraw/zinc/34/95/88/333349588.db2.gz NPFROHMOEMRYCA-LLVKDONJSA-N 0 1 275.421 3.998 20 0 CHADMN C[C@H](CSc1n[nH]c(C(C)(C)C)n1)c1ccccc1 ZINC000523932407 333349590 /nfs/dbraw/zinc/34/95/90/333349590.db2.gz NPFROHMOEMRYCA-LLVKDONJSA-N 0 1 275.421 3.998 20 0 CHADMN Fc1ccccc1CNc1nccn1-c1ccccc1 ZINC000236164225 333373291 /nfs/dbraw/zinc/37/32/91/333373291.db2.gz QGVQWKCFLNJOFO-UHFFFAOYSA-N 0 1 267.307 3.624 20 0 CHADMN CC[C@@H](O)[C@H]1CCCCN1Cc1ccc(F)cc1Cl ZINC000524856551 333390950 /nfs/dbraw/zinc/39/09/50/333390950.db2.gz RHGGBVDFBZDPLD-HUUCEWRRSA-N 0 1 285.790 3.605 20 0 CHADMN CC(C)c1cccc(NC(=O)CN2CCC[C@@H](C)[C@@H]2C)c1 ZINC000525122183 333399740 /nfs/dbraw/zinc/39/97/40/333399740.db2.gz ZFLCZSOYJSDZRD-CABCVRRESA-N 0 1 288.435 3.869 20 0 CHADMN COc1ccccc1C(C)(C)NC/C=C(\C)Cl ZINC000528412854 333435144 /nfs/dbraw/zinc/43/51/44/333435144.db2.gz GCVIMCLOQLEVST-PKNBQFBNSA-N 0 1 253.773 3.663 20 0 CHADMN Cc1cccc([C@H](C)NCc2cc(CO)ccc2F)c1C ZINC000528438511 333437607 /nfs/dbraw/zinc/43/76/07/333437607.db2.gz SPEXAYBSWZOZCV-AWEZNQCLSA-N 0 1 287.378 3.786 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cc(CO)ccc2F)c1C ZINC000528438512 333437716 /nfs/dbraw/zinc/43/77/16/333437716.db2.gz SPEXAYBSWZOZCV-CQSZACIVSA-N 0 1 287.378 3.786 20 0 CHADMN C[C@H](NCc1ccsc1)c1cncc(Br)c1 ZINC000576004385 335140896 /nfs/dbraw/zinc/14/08/96/335140896.db2.gz VUZHVGLUZDVLAW-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN CC[C@H](NCc1cc(OC)ccn1)c1cc(C)ccc1C ZINC000528801457 333459006 /nfs/dbraw/zinc/45/90/06/333459006.db2.gz NXPGEYIRIOIJRW-SFHVURJKSA-N 0 1 284.403 3.948 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cccc(O)c2)cc1F ZINC000037074649 333473928 /nfs/dbraw/zinc/47/39/28/333473928.db2.gz DXSSJKQOHYDEDT-RYUDHWBXSA-N 0 1 289.350 3.952 20 0 CHADMN CCCC(=O)Nc1cccc(CN[C@@H](C)c2ccncc2)c1 ZINC000173929349 335143761 /nfs/dbraw/zinc/14/37/61/335143761.db2.gz YABRYJDFJCUYFE-AWEZNQCLSA-N 0 1 297.402 3.671 20 0 CHADMN c1coc(CC2CN(Cc3nccc4ccccc43)C2)c1 ZINC000529648708 333503654 /nfs/dbraw/zinc/50/36/54/333503654.db2.gz HRYSNLQXHAGQPD-UHFFFAOYSA-N 0 1 278.355 3.502 20 0 CHADMN CO[C@@H](COc1cc(C)nc(C)c1)c1ccc(F)cc1 ZINC000530161857 333526062 /nfs/dbraw/zinc/52/60/62/333526062.db2.gz SEVOZSZJOBODHR-INIZCTEOSA-N 0 1 275.323 3.604 20 0 CHADMN COc1ncccc1CNCc1ccc2ccccc2c1 ZINC000037408093 333532897 /nfs/dbraw/zinc/53/28/97/333532897.db2.gz VSLLWSATCSMOMR-UHFFFAOYSA-N 0 1 278.355 3.533 20 0 CHADMN COc1cccc([C@H](C)NCc2ccc(Cl)o2)c1 ZINC000037771601 333538496 /nfs/dbraw/zinc/53/84/96/333538496.db2.gz IDUVAOTYCRCVLP-JTQLQIEISA-N 0 1 265.740 3.792 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1ccccc1N(C)C ZINC000537972541 333552430 /nfs/dbraw/zinc/55/24/30/333552430.db2.gz OPSOGLLWWIXRIR-HNNXBMFYSA-N 0 1 298.430 3.920 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](C)c1cccc(F)c1 ZINC000124555614 333559739 /nfs/dbraw/zinc/55/97/39/333559739.db2.gz ZQTMFMRSVFSKQX-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN CC(C)(C)c1nc(CNC[C@@]2(C)CCCS2)cs1 ZINC000124696404 333561004 /nfs/dbraw/zinc/56/10/04/333561004.db2.gz HWSVFVRCOUODNK-CQSZACIVSA-N 0 1 284.494 3.816 20 0 CHADMN Clc1ccc(CNCc2ccoc2)c2ncccc12 ZINC000125403733 333566543 /nfs/dbraw/zinc/56/65/43/333566543.db2.gz QPOJVNVNPFNZEH-UHFFFAOYSA-N 0 1 272.735 3.771 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cccc(-n3cccn3)c2)o1 ZINC000174131422 335148619 /nfs/dbraw/zinc/14/86/19/335148619.db2.gz MMEOVYPLKMSKTK-AWEZNQCLSA-N 0 1 281.359 3.625 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2c[nH]nc2C(C)(C)C)c1 ZINC000576069071 335148679 /nfs/dbraw/zinc/14/86/79/335148679.db2.gz SOQLAOTXNKFQDA-UHFFFAOYSA-N 0 1 285.435 3.956 20 0 CHADMN C[C@H](N[C@H]1CSc2ccccc21)c1ccc2c(c1)OCO2 ZINC000126512971 333598761 /nfs/dbraw/zinc/59/87/61/333598761.db2.gz UESATWSVJZQRTE-FZMZJTMJSA-N 0 1 299.395 3.913 20 0 CHADMN Cc1cccc([C@@H](C)N[C@@H](CO)c2cccc(F)c2)c1C ZINC000539084003 333656384 /nfs/dbraw/zinc/65/63/84/333656384.db2.gz CKTVNZAFXDITRP-KDOFPFPSSA-N 0 1 287.378 3.827 20 0 CHADMN C/C(=C\c1ccccc1)CNCc1nccn1CC(C)C ZINC000174455792 335155947 /nfs/dbraw/zinc/15/59/47/335155947.db2.gz OIADQJVCQHDDJU-LFIBNONCSA-N 0 1 283.419 3.732 20 0 CHADMN CC[C@H](C)[C@@H](NCc1ccn(C)n1)c1ccc(Cl)cc1 ZINC000540629415 333739141 /nfs/dbraw/zinc/73/91/41/333739141.db2.gz FNBBBUFKAMFILT-BLLLJJGKSA-N 0 1 291.826 3.951 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@H](C)c1cnn(C(C)C)c1 ZINC000540954004 333755292 /nfs/dbraw/zinc/75/52/92/333755292.db2.gz UAZMFQWIIJEIOY-ZIAGYGMSSA-N 0 1 286.423 3.833 20 0 CHADMN CCC(CC)CN[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000541544107 333779114 /nfs/dbraw/zinc/77/91/14/333779114.db2.gz PITONDPQNHLINQ-KRWDZBQOSA-N 0 1 287.382 3.731 20 0 CHADMN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1nnsc1Cl ZINC000542776270 333840034 /nfs/dbraw/zinc/84/00/34/333840034.db2.gz NDKOBJSQYYAKKJ-MXWKQRLJSA-N 0 1 287.860 3.742 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H](C)[C@@H](C)c2ccccc2)o1 ZINC000543468354 333876880 /nfs/dbraw/zinc/87/68/80/333876880.db2.gz ARFOQGUUOIAPRJ-RDBSUJKOSA-N 0 1 258.365 3.826 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(F)cc1)CO2 ZINC000130816712 333877719 /nfs/dbraw/zinc/87/77/19/333877719.db2.gz LPANUDZLNWWJNA-LRDDRELGSA-N 0 1 271.335 3.918 20 0 CHADMN CC[C@H](NCc1ccc(C)cc1)c1ccc(F)cn1 ZINC000131227743 333910980 /nfs/dbraw/zinc/91/09/80/333910980.db2.gz MZBJBUOGBJFFSD-HNNXBMFYSA-N 0 1 258.340 3.770 20 0 CHADMN CC[C@@H](NCc1ccccc1C)c1ccc(F)cn1 ZINC000131280836 333919842 /nfs/dbraw/zinc/91/98/42/333919842.db2.gz KQUGVOVMTAICRE-OAHLLOKOSA-N 0 1 258.340 3.770 20 0 CHADMN C[C@@H](NC1(C2CC2)CC1)c1ncc(-c2ccccc2)o1 ZINC000544416724 333930580 /nfs/dbraw/zinc/93/05/80/333930580.db2.gz FEIRCJJSPXBYOR-GFCCVEGCSA-N 0 1 268.360 3.935 20 0 CHADMN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCc1nc(C(C)(C)C)no1 ZINC000544433004 333931179 /nfs/dbraw/zinc/93/11/79/333931179.db2.gz MZXXVECYDRJACO-RDBSUJKOSA-N 0 1 293.455 3.918 20 0 CHADMN C[C@@H](NC1CC(c2ccc(Cl)cc2)C1)c1ccon1 ZINC000544622033 333941403 /nfs/dbraw/zinc/94/14/03/333941403.db2.gz OPMVULVJQIGZMZ-PWQPVHBWSA-N 0 1 276.767 3.925 20 0 CHADMN Cc1nc2cc(N[C@@H](C)CCC3CC3)ccc2n1C ZINC000545302852 333976761 /nfs/dbraw/zinc/97/67/61/333976761.db2.gz SSRBRJRCIQBZNZ-NSHDSACASA-N 0 1 257.381 3.872 20 0 CHADMN Cc1ncsc1CN[C@H]1CCCOc2ccc(C)cc21 ZINC000132430456 333980200 /nfs/dbraw/zinc/98/02/00/333980200.db2.gz XSGQXRXWAZLNFL-AWEZNQCLSA-N 0 1 288.416 3.763 20 0 CHADMN C[C@@]1(CCc2ccccc2)CC[N@H+](Cc2ncccc2[O-])C1 ZINC000564298438 334012305 /nfs/dbraw/zinc/01/23/05/334012305.db2.gz KMYPFPPPPVQPKH-LJQANCHMSA-N 0 1 296.414 3.632 20 0 CHADMN C[C@@]1(CCc2ccccc2)CC[N@@H+](Cc2ncccc2[O-])C1 ZINC000564298438 334012306 /nfs/dbraw/zinc/01/23/06/334012306.db2.gz KMYPFPPPPVQPKH-LJQANCHMSA-N 0 1 296.414 3.632 20 0 CHADMN C[C@H]1CCCC[C@H]1Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000546457332 334033591 /nfs/dbraw/zinc/03/35/91/334033591.db2.gz OTUWSWPZAVCACD-RYUDHWBXSA-N 0 1 296.374 3.982 20 0 CHADMN CCC(CC)N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000546606395 334040000 /nfs/dbraw/zinc/04/00/00/334040000.db2.gz AJXBKPPCIAZMOS-INIZCTEOSA-N 0 1 291.826 3.941 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN2CC[C@@H](C)C(C)(C)C2)c1 ZINC000546833632 334051461 /nfs/dbraw/zinc/05/14/61/334051461.db2.gz ZCWRSNNMYJMHQY-OAHLLOKOSA-N 0 1 288.435 3.610 20 0 CHADMN Cc1ccc(CNC(C)(C)c2cccc(F)c2)nc1 ZINC000134346025 334088672 /nfs/dbraw/zinc/08/86/72/334088672.db2.gz YAXOISAMTPSYDI-UHFFFAOYSA-N 0 1 258.340 3.554 20 0 CHADMN CCCc1nc(CN2CCCC[C@H](SC)C2)cs1 ZINC000134586262 334095987 /nfs/dbraw/zinc/09/59/87/334095987.db2.gz ICBZILXQGREYPD-ZDUSSCGKSA-N 0 1 284.494 3.813 20 0 CHADMN CCC[C@@H]1CCCC[C@H]1NCc1nc([C@@H](C)OCC)no1 ZINC000547508967 334096204 /nfs/dbraw/zinc/09/62/04/334096204.db2.gz WHCSUHPNXXWTDE-MGPQQGTHSA-N 0 1 295.427 3.616 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cncc(Br)c1 ZINC000134650232 334099208 /nfs/dbraw/zinc/09/92/08/334099208.db2.gz OPGRUAHNXUDOFA-LLVKDONJSA-N 0 1 283.213 3.609 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000134971555 334110123 /nfs/dbraw/zinc/11/01/23/334110123.db2.gz XWDAPIFWBWKCOB-VHSXEESVSA-N 0 1 286.188 3.819 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1ccc(F)c(Br)c1 ZINC000134971555 334110125 /nfs/dbraw/zinc/11/01/25/334110125.db2.gz XWDAPIFWBWKCOB-VHSXEESVSA-N 0 1 286.188 3.819 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000134969938 334110208 /nfs/dbraw/zinc/11/02/08/334110208.db2.gz BLDOKJCJROTQCM-MNOVXSKESA-N 0 1 268.198 3.679 20 0 CHADMN C[C@@H](c1ccc(Br)cc1)N1[C@H](C)C[C@H]1C ZINC000547769922 334116337 /nfs/dbraw/zinc/11/63/37/334116337.db2.gz CFMWEUWGAFQXND-MXWKQRLJSA-N 0 1 268.198 3.993 20 0 CHADMN COc1cccc(F)c1[C@H](C)NCCOCCC(C)C ZINC000135142503 334117566 /nfs/dbraw/zinc/11/75/66/334117566.db2.gz DOKUDQZUAXXAHF-ZDUSSCGKSA-N 0 1 283.387 3.548 20 0 CHADMN Cc1ccoc1CNCc1ccccc1C(F)(F)F ZINC000135167111 334118499 /nfs/dbraw/zinc/11/84/99/334118499.db2.gz AQDQAROAINHSLW-UHFFFAOYSA-N 0 1 269.266 3.897 20 0 CHADMN Cc1cccc([C@@H]2CCN(Cc3nc4ccccc4[nH]3)C2)c1 ZINC000547830943 334124449 /nfs/dbraw/zinc/12/44/49/334124449.db2.gz IKWDQSATRJGZRO-MRXNPFEDSA-N 0 1 291.398 3.861 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2CCCc2ccccc2)no1 ZINC000135366264 334127983 /nfs/dbraw/zinc/12/79/83/334127983.db2.gz KAIDFHYWIOICCU-SFHVURJKSA-N 0 1 284.403 3.970 20 0 CHADMN CCC(CC)N(CCOC)Cc1csc(C2CC2)n1 ZINC000135368884 334128032 /nfs/dbraw/zinc/12/80/32/334128032.db2.gz YGEBPNNBSXZCGE-UHFFFAOYSA-N 0 1 282.453 3.658 20 0 CHADMN C[C@@H]1C[C@H](c2cccnc2)N(Cc2cnc(C3CC3)s2)C1 ZINC000547997486 334134511 /nfs/dbraw/zinc/13/45/11/334134511.db2.gz XCMYAASUFPXOBI-MLGOLLRUSA-N 0 1 299.443 3.999 20 0 CHADMN Fc1cc(F)cc(CNCc2ccccc2OC(F)F)c1 ZINC000078542511 334135629 /nfs/dbraw/zinc/13/56/29/334135629.db2.gz UXPIVFQAMHPLAU-UHFFFAOYSA-N 0 1 299.267 3.856 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)Cc2nc(Cc3ccccc3)no2)C1 ZINC000078539785 334135676 /nfs/dbraw/zinc/13/56/76/334135676.db2.gz XJFFGLVHIAYXAB-GOEBONIOSA-N 0 1 299.418 3.671 20 0 CHADMN Fc1cc(F)c(CN[C@@H]2CCc3ccccc32)cc1F ZINC000135835003 334139330 /nfs/dbraw/zinc/13/93/30/334139330.db2.gz NZILDKYAOVKAFX-MRXNPFEDSA-N 0 1 277.289 3.881 20 0 CHADMN C[C@H](c1ncc(-c2ccccc2)o1)N1[C@H](C)C[C@@H]1C ZINC000548097423 334139713 /nfs/dbraw/zinc/13/97/13/334139713.db2.gz AWGDRNBABUIMKY-FRRDWIJNSA-N 0 1 256.349 3.885 20 0 CHADMN Cc1oc(-c2ccccc2)nc1CN1[C@H](C)C[C@@H]1C ZINC000548426025 334155699 /nfs/dbraw/zinc/15/56/99/334155699.db2.gz FWCLJYJDMBOEOH-TXEJJXNPSA-N 0 1 256.349 3.633 20 0 CHADMN C[C@@H]1C[C@H](C)N1Cc1c(Cl)ccc2cccnc21 ZINC000548425815 334155740 /nfs/dbraw/zinc/15/57/40/334155740.db2.gz COTQKZSULPUHPI-PHIMTYICSA-N 0 1 260.768 3.871 20 0 CHADMN C[C@H](CN[C@H](C)c1cc(F)ccc1F)C(F)(F)F ZINC000548485360 334159662 /nfs/dbraw/zinc/15/96/62/334159662.db2.gz KIOPCOCXFAFUMV-HTQZYQBOSA-N 0 1 267.241 3.814 20 0 CHADMN CCOC(=O)c1oc2ccccc2c1CN1[C@H](C)C[C@H]1C ZINC000548753223 334169836 /nfs/dbraw/zinc/16/98/36/334169836.db2.gz PATMXXZETVBVRU-VXGBXAGGSA-N 0 1 287.359 3.592 20 0 CHADMN COC(=O)c1sc2ccccc2c1CN1[C@H](C)C[C@H]1C ZINC000548754130 334170104 /nfs/dbraw/zinc/17/01/04/334170104.db2.gz TZROMONDXXIQFM-GHMZBOCLSA-N 0 1 289.400 3.671 20 0 CHADMN CCCC[C@H](CC)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000080871696 334174810 /nfs/dbraw/zinc/17/48/10/334174810.db2.gz PJNNWZXHDCIQFV-NSHDSACASA-N 0 1 291.370 3.535 20 0 CHADMN CCn1c(CNCC(C)(C)C(F)(F)F)nc2ccccc21 ZINC000548859699 334176952 /nfs/dbraw/zinc/17/69/52/334176952.db2.gz VVWYBDWAYDSAMP-UHFFFAOYSA-N 0 1 299.340 3.734 20 0 CHADMN CO[C@H](CN(C)Cc1ccc(F)cc1F)c1ccccc1 ZINC000549040450 334183566 /nfs/dbraw/zinc/18/35/66/334183566.db2.gz AQHWMHHMHIVYMQ-QGZVFWFLSA-N 0 1 291.341 3.784 20 0 CHADMN COC(C)(C)CCN1CC[C@@](F)(c2ccccc2F)C1 ZINC000549079671 334184840 /nfs/dbraw/zinc/18/48/40/334184840.db2.gz HRRGMILDEUQPNC-INIZCTEOSA-N 0 1 283.362 3.511 20 0 CHADMN CC[C@@H](NC[C@H]1CCC2(CCCC2)O1)c1nc(C)cs1 ZINC000549131414 334185802 /nfs/dbraw/zinc/18/58/02/334185802.db2.gz DHVFATAFSINWIL-ZIAGYGMSSA-N 0 1 294.464 3.984 20 0 CHADMN CC[C@H]1CN(Cc2cc(C)on2)CC[C@H]1c1ccccc1 ZINC000245409553 334190505 /nfs/dbraw/zinc/19/05/05/334190505.db2.gz MXEFZUHGQCMNKC-MAUKXSAKSA-N 0 1 284.403 3.999 20 0 CHADMN FC(F)O[C@H]1CC[N@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000549409080 334192892 /nfs/dbraw/zinc/19/28/92/334192892.db2.gz KPOKPVZQCMYHTP-AAEUAGOBSA-N 0 1 287.737 3.641 20 0 CHADMN FC(F)O[C@H]1CCN([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000549409080 334192893 /nfs/dbraw/zinc/19/28/93/334192893.db2.gz KPOKPVZQCMYHTP-AAEUAGOBSA-N 0 1 287.737 3.641 20 0 CHADMN Clc1cnn([C@H]2CC[N@H+]([C@H]3C=CCCCCC3)C2)c1 ZINC000549717986 334202754 /nfs/dbraw/zinc/20/27/54/334202754.db2.gz OFPVFBLJFPEIQN-GJZGRUSLSA-N 0 1 279.815 3.672 20 0 CHADMN CCc1ccc(CN2CCC[C@@H]2c2ccc(OC)cc2)nc1 ZINC000549742464 334203315 /nfs/dbraw/zinc/20/33/15/334203315.db2.gz ZTIOEUVCBYYKGZ-LJQANCHMSA-N 0 1 296.414 3.990 20 0 CHADMN CCc1noc(C)c1CNCc1ccc(C(F)F)cc1 ZINC000549842959 334206617 /nfs/dbraw/zinc/20/66/17/334206617.db2.gz DXUUXMLFXRKBLG-UHFFFAOYSA-N 0 1 280.318 3.773 20 0 CHADMN C[C@@H](NCc1cccc(Cl)c1Cl)c1cc[nH]c(=O)c1 ZINC000549859293 334206964 /nfs/dbraw/zinc/20/69/64/334206964.db2.gz PMJXGVSHSPQVMU-SECBINFHSA-N 0 1 297.185 3.945 20 0 CHADMN Cc1cc(Br)ccc1CN1C[C@@H](C)[C@@H]1C ZINC000549924305 334209162 /nfs/dbraw/zinc/20/91/62/334209162.db2.gz VZOPLDLQZWLCFN-MNOVXSKESA-N 0 1 268.198 3.598 20 0 CHADMN COc1ccc(F)c(CNCCO[C@H]2CCCC[C@H]2C)c1 ZINC000550099628 334212952 /nfs/dbraw/zinc/21/29/52/334212952.db2.gz DJCWHRAGIUKHEV-DYVFJYSZSA-N 0 1 295.398 3.519 20 0 CHADMN Fc1cccc([C@H]2CN(C[C@@H]3CC=CCC3)CCO2)c1 ZINC000245693412 334212972 /nfs/dbraw/zinc/21/29/72/334212972.db2.gz BUVIALZKVTVCFZ-RHSMWYFYSA-N 0 1 275.367 3.555 20 0 CHADMN Cc1ccc(CNCc2conc2Cc2ccccc2)s1 ZINC000550100113 334213127 /nfs/dbraw/zinc/21/31/27/334213127.db2.gz ZMZHVJVQCCKRGB-UHFFFAOYSA-N 0 1 298.411 3.925 20 0 CHADMN CCc1noc(C)c1CN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000550864180 334231013 /nfs/dbraw/zinc/23/10/13/334231013.db2.gz XKBRTTIITPIQND-QGZVFWFLSA-N 0 1 288.366 3.925 20 0 CHADMN C[C@@H]1CO[C@H](c2ccccc2)CN1C[C@H]1CCC(F)(F)C1 ZINC000551094553 334238497 /nfs/dbraw/zinc/23/84/97/334238497.db2.gz AJJZHQVORVKEFU-YCPHGPKFSA-N 0 1 295.373 3.884 20 0 CHADMN Cc1ccc2nc(CNCCSc3ccccc3)cn2c1 ZINC000551207166 334240771 /nfs/dbraw/zinc/24/07/71/334240771.db2.gz MTYZBVUYDOINNP-UHFFFAOYSA-N 0 1 297.427 3.525 20 0 CHADMN COc1ccc(F)cc1CN(C)Cc1cccc(C)c1 ZINC000551228753 334241790 /nfs/dbraw/zinc/24/17/90/334241790.db2.gz AWQIHYLCOWTQEW-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN C[C@@H]1CN([C@@H]2C=CCCC2)C[C@@H](c2ccccc2)O1 ZINC000246306123 334249985 /nfs/dbraw/zinc/24/99/85/334249985.db2.gz XNIPEUWRZPCFQA-OIISXLGYSA-N 0 1 257.377 3.557 20 0 CHADMN CC(C)CCN1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246378010 334254396 /nfs/dbraw/zinc/25/43/96/334254396.db2.gz HFVHLHSKRPICEI-OCCSQVGLSA-N 0 1 253.411 3.556 20 0 CHADMN Cc1sccc1CN1CCO[C@@](C)(c2ccccc2)C1 ZINC000551961083 334268043 /nfs/dbraw/zinc/26/80/43/334268043.db2.gz DVAKLINORFNGGO-QGZVFWFLSA-N 0 1 287.428 3.804 20 0 CHADMN CCn1cc(CN(C)Cc2ccc(C3CCC3)cc2)cn1 ZINC000551960882 334268089 /nfs/dbraw/zinc/26/80/89/334268089.db2.gz KOZILLHNUFFKLB-UHFFFAOYSA-N 0 1 283.419 3.803 20 0 CHADMN CC1=CC[C@H](N[C@H](c2nccn2C)c2ccccc2)CC1 ZINC000551983369 334269086 /nfs/dbraw/zinc/26/90/86/334269086.db2.gz IDAJKSJZQFRDSL-IRXDYDNUSA-N 0 1 281.403 3.598 20 0 CHADMN C[C@@H]1CCN(Cc2coc(-c3c(F)cccc3F)n2)[C@H]1C ZINC000246837854 334270433 /nfs/dbraw/zinc/27/04/33/334270433.db2.gz VBVWBKCGDPFCMA-MNOVXSKESA-N 0 1 292.329 3.850 20 0 CHADMN Cc1cccc([C@@H](C)N2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000246846569 334270615 /nfs/dbraw/zinc/27/06/15/334270615.db2.gz BWEUVTDLBBSPRQ-DNVCBOLYSA-N 0 1 297.398 3.835 20 0 CHADMN C=Cc1ccc(CCNCc2c(F)ccc(O)c2F)cc1 ZINC000552052086 334281968 /nfs/dbraw/zinc/28/19/68/334281968.db2.gz QXTDKJACMQHATA-UHFFFAOYSA-N 0 1 289.325 3.646 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](c2nccn2C)C2CC2)cc1 ZINC000552090420 334288074 /nfs/dbraw/zinc/28/80/74/334288074.db2.gz JLTVBDHHKWNBIC-CXAGYDPISA-N 0 1 283.419 3.784 20 0 CHADMN CO[C@@H]1CCCN([C@H](C)c2cccc(Br)c2)C1 ZINC000247930227 334291865 /nfs/dbraw/zinc/29/18/65/334291865.db2.gz BXUKJRGHXDAONI-BXUZGUMPSA-N 0 1 298.224 3.621 20 0 CHADMN CC[C@@H]1CN(C)CCN1Cc1csc(Cl)c1Cl ZINC000552133026 334293258 /nfs/dbraw/zinc/29/32/58/334293258.db2.gz UOSJQDRVNDYWJS-SNVBAGLBSA-N 0 1 293.263 3.581 20 0 CHADMN CCCC[C@@H]1CCC[C@H]1N[C@H](C)c1nc(CC)no1 ZINC000248397445 334300128 /nfs/dbraw/zinc/30/01/28/334300128.db2.gz LSERXBALEHBVKK-JHJVBQTASA-N 0 1 265.401 3.642 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)N1CCCSCC1 ZINC000089986061 334354837 /nfs/dbraw/zinc/35/48/37/334354837.db2.gz SMJUCZGRIQCZSH-JTQLQIEISA-N 0 1 273.804 3.979 20 0 CHADMN CCCCc1noc([C@H](C)N2CCCC[C@@H](C)C2)n1 ZINC000248539370 334305561 /nfs/dbraw/zinc/30/55/61/334305561.db2.gz AQWRMOLNSTWXIF-OLZOCXBDSA-N 0 1 265.401 3.595 20 0 CHADMN CC[C@H](N[C@H](C)c1ncc(C(C)(C)C)o1)[C@H]1CCCO1 ZINC000248609975 334308636 /nfs/dbraw/zinc/30/86/36/334308636.db2.gz QCOQWIRIGXOOFS-FRRDWIJNSA-N 0 1 280.412 3.580 20 0 CHADMN C[C@@H]1CCN(Cc2nnc(-c3ccccc3)s2)C[C@H]1C ZINC000248614769 334309131 /nfs/dbraw/zinc/30/91/31/334309131.db2.gz IBXDAHJRDOXPBA-CHWSQXEVSA-N 0 1 287.432 3.683 20 0 CHADMN COc1ccc(CNCc2ccc(F)cc2F)cc1Cl ZINC000086585911 334313188 /nfs/dbraw/zinc/31/31/88/334313188.db2.gz JSKMSAWAUKEUJF-UHFFFAOYSA-N 0 1 297.732 3.917 20 0 CHADMN CCc1ccc(CN(C)Cc2cccc(C)n2)s1 ZINC000552290924 334313993 /nfs/dbraw/zinc/31/39/93/334313993.db2.gz ZWUYVGGVYSZGBE-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN C[C@H](c1nc(Cc2ccccc2)no1)N1[C@H](C)CC[C@@H]1C ZINC000248885088 334320655 /nfs/dbraw/zinc/32/06/55/334320655.db2.gz DWBILEQFSXZZNV-HZSPNIEDSA-N 0 1 285.391 3.594 20 0 CHADMN Cc1cc(CN(C)[C@@H]2CC[C@](C)(c3ccccc3)C2)no1 ZINC000249206431 334330148 /nfs/dbraw/zinc/33/01/48/334330148.db2.gz WAQKSEPLHJJDGH-MSOLQXFVSA-N 0 1 284.403 3.925 20 0 CHADMN COCC1(C)CCN([C@@H](C)c2c(F)cccc2F)CC1 ZINC000552647777 334340890 /nfs/dbraw/zinc/34/08/90/334340890.db2.gz CFINWJGGSQQMFH-LBPRGKRZSA-N 0 1 283.362 3.774 20 0 CHADMN Clc1cnccc1CN[C@@H]1CCc2ccccc21 ZINC000088781186 334341430 /nfs/dbraw/zinc/34/14/30/334341430.db2.gz RVRRSCJOQBBFTF-OAHLLOKOSA-N 0 1 258.752 3.512 20 0 CHADMN Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(C(C)C)cc2)n[nH]1 ZINC000089356572 334344295 /nfs/dbraw/zinc/34/42/95/334344295.db2.gz YRZBDOSBUXJNIK-QGZVFWFLSA-N 0 1 297.402 3.819 20 0 CHADMN CC[C@H](COC)N[C@@H](c1ccccc1)c1ccccc1OC ZINC000089554934 334346614 /nfs/dbraw/zinc/34/66/14/334346614.db2.gz HBSVOOPVLCTKTE-APWZRJJASA-N 0 1 299.414 3.799 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCC1CCCCC1 ZINC000251329473 334359977 /nfs/dbraw/zinc/35/99/77/334359977.db2.gz OYCBOHIFNVSADI-XHSDSOJGSA-N 0 1 279.424 3.675 20 0 CHADMN CCCCc1nc(CN(CCCO)CC(C)(C)C)cs1 ZINC000553109104 334361958 /nfs/dbraw/zinc/36/19/58/334361958.db2.gz KANMCZJVAHAYNR-UHFFFAOYSA-N 0 1 298.496 3.716 20 0 CHADMN CO[C@@H]1CCCC[C@@H]1N[C@H](C)c1c(F)cccc1F ZINC000251799965 334369734 /nfs/dbraw/zinc/36/97/34/334369734.db2.gz YBBDLSQCCXAWKO-DDTOSNHZSA-N 0 1 269.335 3.573 20 0 CHADMN CC(C)c1cc(C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2)n[nH]1 ZINC000553337382 334378703 /nfs/dbraw/zinc/37/87/03/334378703.db2.gz HRFXOWDMOWRKRB-CXAGYDPISA-N 0 1 297.402 3.756 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3ccc(C)cc3C)ccc12 ZINC000091827075 334384146 /nfs/dbraw/zinc/38/41/46/334384146.db2.gz YEWNWXSZDPMHQT-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3cc4c(s3)CCC4)ccc12 ZINC000091836483 334384285 /nfs/dbraw/zinc/38/42/85/334384285.db2.gz LOPRJTLVJXFDKM-UHFFFAOYSA-N 0 1 297.383 3.674 20 0 CHADMN CCN(CC(C)C)C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000553771686 334398307 /nfs/dbraw/zinc/39/83/07/334398307.db2.gz FPGFOHYTELKKSH-QGZVFWFLSA-N 0 1 290.451 3.574 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@@H]3CC34CCCCC4)[nH]c2c1 ZINC000553812237 334399668 /nfs/dbraw/zinc/39/96/68/334399668.db2.gz RLSJRHLZADYAOT-LBPRGKRZSA-N 0 1 283.375 3.780 20 0 CHADMN CC(C)COC1CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000092223370 334401570 /nfs/dbraw/zinc/40/15/70/334401570.db2.gz JOSDNLXDUXWQAB-UHFFFAOYSA-N 0 1 294.464 3.658 20 0 CHADMN CO[C@]1(C)C[C@@H](N[C@H](C)c2nc3ccccc3o2)C1(C)C ZINC000554433264 334430208 /nfs/dbraw/zinc/43/02/08/334430208.db2.gz YTOZWVQUHNIDQL-JDSLSITLSA-N 0 1 288.391 3.682 20 0 CHADMN CCC(CC)n1ccc(COc2cc(C)nc(C)c2)n1 ZINC000555374033 334476169 /nfs/dbraw/zinc/47/61/69/334476169.db2.gz ZZCJDZUJDZEYKQ-UHFFFAOYSA-N 0 1 273.380 3.835 20 0 CHADMN Nc1ccc2c(c1)CC[C@@H]2NCc1sccc1Cl ZINC000565233020 334546767 /nfs/dbraw/zinc/54/67/67/334546767.db2.gz HDBWGSHJAIYQMQ-ZDUSSCGKSA-N 0 1 278.808 3.761 20 0 CHADMN c1ccc2c(c1)[nH]c1c2C[C@H](Nc2cc3c(cn2)CCC3)C1 ZINC000567069123 334678102 /nfs/dbraw/zinc/67/81/02/334678102.db2.gz VMNHYGXNUFPJEY-AWEZNQCLSA-N 0 1 289.382 3.631 20 0 CHADMN C[C@H](N[C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccoc1 ZINC000567654288 334746684 /nfs/dbraw/zinc/74/66/84/334746684.db2.gz TXSFNUJLCCREQJ-NHYWBVRUSA-N 0 1 286.375 3.815 20 0 CHADMN C[C@@H](Cc1ccc(O)cc1)Nc1cc2c(cn1)CCCC2 ZINC000572588711 334777255 /nfs/dbraw/zinc/77/72/55/334777255.db2.gz HFQVAGYZYNKNPA-ZDUSSCGKSA-N 0 1 282.387 3.709 20 0 CHADMN CCCCc1nc(CN[C@@H]2CCC2(C)C)cs1 ZINC000568182540 334801575 /nfs/dbraw/zinc/80/15/75/334801575.db2.gz SHDJLLIRYDCKMC-GFCCVEGCSA-N 0 1 252.427 3.764 20 0 CHADMN CC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1ccc(OC)cc1 ZINC000294299429 334894603 /nfs/dbraw/zinc/89/46/03/334894603.db2.gz ZRDYDJPIXDJUAM-KCXAZCMYSA-N 0 1 285.391 3.638 20 0 CHADMN Cc1nc(C2(NC[C@@H]3CC(C)=C[C@H](C)C3)CCCC2)no1 ZINC000573169330 334914311 /nfs/dbraw/zinc/91/43/11/334914311.db2.gz APZNPNYDDICJFI-WFASDCNBSA-N 0 1 289.423 3.729 20 0 CHADMN O=C([O-])C[N@@H+](Cc1ccccc1Oc1ccccc1)C1CC1 ZINC000576710689 335238501 /nfs/dbraw/zinc/23/85/01/335238501.db2.gz QMIZJLANZLGCDR-UHFFFAOYSA-N 0 1 297.354 3.528 20 0 CHADMN CC(C)[C@@H](C(=O)Nc1cccc(-c2ccccc2)c1)N(C)C ZINC000576726799 335240744 /nfs/dbraw/zinc/24/07/44/335240744.db2.gz RQKYHLGZUUPZHR-SFHVURJKSA-N 0 1 296.414 3.878 20 0 CHADMN CC[C@@H](NCc1cc(C)cs1)c1ccc(F)cn1 ZINC000344604672 335259213 /nfs/dbraw/zinc/25/92/13/335259213.db2.gz BFXZGPKOFAJFKN-CYBMUJFWSA-N 0 1 264.369 3.832 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000580561385 335281598 /nfs/dbraw/zinc/28/15/98/335281598.db2.gz XILXVBICJWZLPT-MLGOLLRUSA-N 0 1 293.382 3.925 20 0 CHADMN CC[C@@H](NCc1ccncc1C)c1nc2ccccc2[nH]1 ZINC000577078117 335296443 /nfs/dbraw/zinc/29/64/43/335296443.db2.gz YLQAMFCCFPOAFL-CQSZACIVSA-N 0 1 280.375 3.507 20 0 CHADMN CC(C)(C)C1CC(c2nc(-c3ccn4cncc4c3)no2)C1 ZINC000580633487 335307200 /nfs/dbraw/zinc/30/72/00/335307200.db2.gz MLFFFJBNDIIVSU-UHFFFAOYSA-N 0 1 296.374 3.924 20 0 CHADMN Cc1nnsc1CN(Cc1ccccc1)[C@H](C)C1CC1 ZINC000577173349 335315504 /nfs/dbraw/zinc/31/55/04/335315504.db2.gz QKYNVUABEMTMEJ-CYBMUJFWSA-N 0 1 287.432 3.647 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(C(C)(C)CC)cc1 ZINC000577380639 335345385 /nfs/dbraw/zinc/34/53/85/335345385.db2.gz FYDBZCZUNPTBJA-UHFFFAOYSA-N 0 1 277.408 3.671 20 0 CHADMN CCn1nc(C)c(CN[C@@H](C)c2csc(C)c2)c1C ZINC000577469399 335355532 /nfs/dbraw/zinc/35/55/32/335355532.db2.gz CQCLVSIUUKCKJQ-NSHDSACASA-N 0 1 277.437 3.741 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000577760500 335398507 /nfs/dbraw/zinc/39/85/07/335398507.db2.gz FOOMDRGSWTYQFT-NTZNESFSSA-N 0 1 279.405 3.599 20 0 CHADMN CCCC(=O)Nc1cccc(CN[C@@H](C)c2ccoc2)c1 ZINC000178127064 335418430 /nfs/dbraw/zinc/41/84/30/335418430.db2.gz ZAKGAOBQHLHRMP-ZDUSSCGKSA-N 0 1 286.375 3.869 20 0 CHADMN c1ncn2cc(-c3nc(CC4CCCCC4)no3)ccc12 ZINC000350023458 335490145 /nfs/dbraw/zinc/49/01/45/335490145.db2.gz LTJVHCFZJNKOTD-UHFFFAOYSA-N 0 1 282.347 3.507 20 0 CHADMN COc1ccc(CN[C@H](C)c2cn3ccccc3n2)c(C)c1 ZINC000578205286 335557712 /nfs/dbraw/zinc/55/77/12/335557712.db2.gz LMBJGFMSNYACEJ-CQSZACIVSA-N 0 1 295.386 3.502 20 0 CHADMN C[C@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1nccn1C ZINC000182224945 335805077 /nfs/dbraw/zinc/80/50/77/335805077.db2.gz YCALGYDCWMQPQZ-NHYWBVRUSA-N 0 1 289.810 3.875 20 0 CHADMN Cc1ccc([C@H](C)NCc2cnn(C)c2C(F)(F)F)cc1 ZINC000182349392 335812334 /nfs/dbraw/zinc/81/23/34/335812334.db2.gz OLONKMIXAALDNY-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN Cc1cnc([C@H](NCCOCCC(C)C)C2CC2)s1 ZINC000185274820 335950044 /nfs/dbraw/zinc/95/00/44/335950044.db2.gz UONUUXSANJKLPJ-CQSZACIVSA-N 0 1 282.453 3.555 20 0 CHADMN CCOc1cccc2cc([C@H](C)N[C@H]3C[C@@H]3OCC)oc21 ZINC000580033238 335957936 /nfs/dbraw/zinc/95/79/36/335957936.db2.gz FMTUBASZAHKONL-RBOXIYTFSA-N 0 1 289.375 3.660 20 0 CHADMN O=C([O-])CCCCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000581137622 336014078 /nfs/dbraw/zinc/01/40/78/336014078.db2.gz XIGJCADDYJLKJI-UHFFFAOYSA-N 0 1 279.380 3.669 20 0 CHADMN O=C([O-])c1ccccc1CC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000581136976 336014139 /nfs/dbraw/zinc/01/41/39/336014139.db2.gz JFFWFUMOYKYLOT-LJQANCHMSA-N 0 1 299.414 3.750 20 0 CHADMN CCn1c2ccccc2nc1CN1CC(C(C)(C)C)C1 ZINC000581296107 336040299 /nfs/dbraw/zinc/04/02/99/336040299.db2.gz FDSQCHDCUUVCAQ-UHFFFAOYSA-N 0 1 271.408 3.534 20 0 CHADMN CC(C)(CN[C@H](c1ncc[nH]1)c1cccnc1)C1CCCC1 ZINC000195082496 336044581 /nfs/dbraw/zinc/04/45/81/336044581.db2.gz PDHDBUOONOZPLJ-INIZCTEOSA-N 0 1 298.434 3.700 20 0 CHADMN CS[C@@H](CN[C@@H](C)c1cscn1)C(C)(C)C ZINC000381397903 336061440 /nfs/dbraw/zinc/06/14/40/336061440.db2.gz QBONHXFMTBPLIY-ONGXEEELSA-N 0 1 258.456 3.571 20 0 CHADMN Clc1cnc(CNCCCc2cccs2)s1 ZINC000381479253 336066315 /nfs/dbraw/zinc/06/63/15/336066315.db2.gz CAACHORNTXXPKO-UHFFFAOYSA-N 0 1 272.826 3.580 20 0 CHADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)C[C@@H]1CCCCC1(F)F ZINC000381493635 336066632 /nfs/dbraw/zinc/06/66/32/336066632.db2.gz IFWCHBAZVUTUTC-AWEZNQCLSA-N 0 1 297.345 3.642 20 0 CHADMN COC(=O)c1cccc(CN2[C@H](C)CCC[C@@H]2C)c1Cl ZINC000381602333 336069288 /nfs/dbraw/zinc/06/92/88/336069288.db2.gz GOPBOECOXMFGTI-TXEJJXNPSA-N 0 1 295.810 3.890 20 0 CHADMN COC(=O)c1cccc(CN2CCC[C@H](C)[C@H]2C)c1Cl ZINC000381748857 336072392 /nfs/dbraw/zinc/07/23/92/336072392.db2.gz VPOBXSORFRXYGP-NWDGAFQWSA-N 0 1 295.810 3.747 20 0 CHADMN C[C@H](C[N@H+](Cc1ccccc1)CC1CCCCC1)C(=O)[O-] ZINC000581435034 336077039 /nfs/dbraw/zinc/07/70/39/336077039.db2.gz XULKZLSZDCAKOT-OAHLLOKOSA-N 0 1 289.419 3.790 20 0 CHADMN CC[C@H](C)[N@H+](CC(=O)[O-])CC1CCC(C(F)(F)F)CC1 ZINC000581494724 336089718 /nfs/dbraw/zinc/08/97/18/336089718.db2.gz ZCUHFHXXZNZTMW-UNXYVOJBSA-N 0 1 295.345 3.540 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)[O-] ZINC000581547950 336100106 /nfs/dbraw/zinc/10/01/06/336100106.db2.gz HVVCSCPRXDGWBC-XJKSGUPXSA-N 0 1 289.419 3.527 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(Br)o2)c1 ZINC000383139603 336104939 /nfs/dbraw/zinc/10/49/39/336104939.db2.gz XDIQCUIBIYARDA-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN COc1ccc([C@H](C)NCc2cccc(C)c2F)cc1 ZINC000384661781 336128589 /nfs/dbraw/zinc/12/85/89/336128589.db2.gz APKHYSQMZJDUTE-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1c(F)cccc1Cl ZINC000384880595 336133606 /nfs/dbraw/zinc/13/36/06/336133606.db2.gz JURANAMNWCQCGX-COMAGPEQSA-N 0 1 271.763 3.696 20 0 CHADMN C[C@H](c1ccccc1)[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000581829949 336148959 /nfs/dbraw/zinc/14/89/59/336148959.db2.gz QNXXPRXQLYPCKW-ZTFGCOKTSA-N 0 1 295.382 3.548 20 0 CHADMN O=C([O-])C[N@H+](Cc1ccc(Cl)cc1)CC1CCCCC1 ZINC000581890065 336160809 /nfs/dbraw/zinc/16/08/09/336160809.db2.gz YUVPIMZXVONUMN-UHFFFAOYSA-N 0 1 295.810 3.807 20 0 CHADMN CCCCn1cc(CNCc2ccsc2C)c(C)n1 ZINC000339337015 521390775 /nfs/dbraw/zinc/39/07/75/521390775.db2.gz UCTMIKLTPDYXNQ-UHFFFAOYSA-N 0 1 277.437 3.651 20 0 CHADMN CCS[C@@H](c1nc([C@H](N)CC(C)C)no1)C(C)C ZINC000339390016 521722652 /nfs/dbraw/zinc/72/26/52/521722652.db2.gz GICQSAANCBZVOB-GHMZBOCLSA-N 0 1 271.430 3.566 20 0 CHADMN C[C@H]1CCc2nc(CN3CCCC4(CC4)C3)sc2C1 ZINC000351947676 533784314 /nfs/dbraw/zinc/78/43/14/533784314.db2.gz URQWJYQTXOFREJ-LBPRGKRZSA-N 0 1 276.449 3.644 20 0 CHADMN CS[C@@H](CNCc1csc(C2CC2)n1)C(C)(C)C ZINC000344324717 533927788 /nfs/dbraw/zinc/92/77/88/533927788.db2.gz HEGKVTWQBGKMOG-LBPRGKRZSA-N 0 1 284.494 3.888 20 0 CHADMN Cc1ccc(CN2CCc3ccccc3[C@H]2C)nc1 ZINC000353402052 533955236 /nfs/dbraw/zinc/95/52/36/533955236.db2.gz JMGSPNUQWYYGKJ-CQSZACIVSA-N 0 1 252.361 3.509 20 0 CHADMN Cc1ccc(CN2C[C@@H](C)C[C@@H]2c2cccc(F)c2)nn1 ZINC000334878637 533959299 /nfs/dbraw/zinc/95/92/99/533959299.db2.gz GLYPJJPHIQWLNC-YVEFUNNKSA-N 0 1 285.366 3.507 20 0 CHADMN C[C@@H]1C[C@H](N[C@H](CO)c2cccc(F)c2)c2ccccc21 ZINC000343660942 533966037 /nfs/dbraw/zinc/96/60/37/533966037.db2.gz AKLIZYUYMCUDIZ-OCBCSQNSSA-N 0 1 285.362 3.697 20 0 CHADMN Cc1cn[nH]c1CN1CCCC[C@H]1c1ccc(F)cc1F ZINC000356121798 533988887 /nfs/dbraw/zinc/98/88/87/533988887.db2.gz KOXFEXJGWNZTER-INIZCTEOSA-N 0 1 291.345 3.724 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1CCCc2occc2C1 ZINC000344309175 534062054 /nfs/dbraw/zinc/06/20/54/534062054.db2.gz YAWSMXLTVOXLDI-LBPRGKRZSA-N 0 1 259.324 3.928 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1CCCC1(C)C ZINC000332189692 534128217 /nfs/dbraw/zinc/12/82/17/534128217.db2.gz AQBHWSWSUVDCAE-GFCCVEGCSA-N 0 1 271.364 3.636 20 0 CHADMN CSc1ccc(CN(C)Cc2cccc(C)n2)cc1 ZINC000353748347 534201978 /nfs/dbraw/zinc/20/19/78/534201978.db2.gz ICFFNKDQGQZJSP-UHFFFAOYSA-N 0 1 272.417 3.744 20 0 CHADMN C[C@H](N1CCN(CCC2CCCCC2)CC1)C(F)(F)F ZINC000483266898 518182636 /nfs/dbraw/zinc/18/26/36/518182636.db2.gz ILULSNNUCPZGIG-ZDUSSCGKSA-N 0 1 292.389 3.525 20 0 CHADMN C[C@H](N[C@H]1CC(C)(C)OC1(C)C)c1nc2ccccc2o1 ZINC000132568144 518183536 /nfs/dbraw/zinc/18/35/36/518183536.db2.gz GDFIXPCFGQLTQY-FZMZJTMJSA-N 0 1 288.391 3.825 20 0 CHADMN Cc1cc([C@H](C)NCCCSc2ccc(F)cc2)no1 ZINC000284882745 518187904 /nfs/dbraw/zinc/18/79/04/518187904.db2.gz BLRWAPOKPAXVHD-LBPRGKRZSA-N 0 1 294.395 3.955 20 0 CHADMN Brc1ccc(CN2CCC3(CCC3)C2)s1 ZINC000307536105 518210435 /nfs/dbraw/zinc/21/04/35/518210435.db2.gz PIJJCDFRQPYKSQ-UHFFFAOYSA-N 0 1 286.238 3.887 20 0 CHADMN C/C(=C/c1nc([C@H](N)CC(C)C)no1)C(C)(C)C ZINC000339394659 518416790 /nfs/dbraw/zinc/41/67/90/518416790.db2.gz JGSTZMHRWSMEMH-HIJJYWJESA-N 0 1 251.374 3.565 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2ccccc2OC(C)C)n1 ZINC000339386656 519228432 /nfs/dbraw/zinc/22/84/32/519228432.db2.gz XHODAPBFNALVEX-CYBMUJFWSA-N 0 1 289.379 3.570 20 0 CHADMN CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc2cncn2c1 ZINC000339956888 519258874 /nfs/dbraw/zinc/25/88/74/519258874.db2.gz OODBXPWUBPSIDU-INIZCTEOSA-N 0 1 299.418 3.765 20 0 CHADMN CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cccc([O-])c2Cl)CCO1 ZINC000293139969 519277465 /nfs/dbraw/zinc/27/74/65/519277465.db2.gz CUXCCHOTWDMTGG-UONOGXRCSA-N 0 1 297.826 3.729 20 0 CHADMN CC(C)C[C@H](N)c1noc(CCc2ccc(Cl)s2)n1 ZINC000339383989 519375630 /nfs/dbraw/zinc/37/56/30/519375630.db2.gz DCZQMKBSLHAWAV-JTQLQIEISA-N 0 1 299.827 3.616 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@@H]2NCc1cnccc1C ZINC000334669870 534428093 /nfs/dbraw/zinc/42/80/93/534428093.db2.gz WVBMTTXDDDGPCW-KRWDZBQOSA-N 0 1 282.387 3.702 20 0 CHADMN CC(C)N(C)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000198663946 519613989 /nfs/dbraw/zinc/61/39/89/519613989.db2.gz CLQRXTAQBMRTNT-UHFFFAOYSA-N 0 1 296.414 3.556 20 0 CHADMN CC(C)N(Cc1ccnn1C(C)C)Cc1ccccc1 ZINC000337140953 519662283 /nfs/dbraw/zinc/66/22/83/519662283.db2.gz VBPJBWJAVOOPDZ-UHFFFAOYSA-N 0 1 271.408 3.875 20 0 CHADMN CC(C)[C@H](CC1CCCC1)c1nc(C2(N)CCC2)no1 ZINC000339393335 519813658 /nfs/dbraw/zinc/81/36/58/519813658.db2.gz OHZCQLHVKDFRCE-ZDUSSCGKSA-N 0 1 277.412 3.727 20 0 CHADMN CC(C)[C@]1(CO)CCCN(Cc2ccsc2Cl)C1 ZINC000354575482 519830300 /nfs/dbraw/zinc/83/03/00/519830300.db2.gz XATBCYZTOCIOEI-CQSZACIVSA-N 0 1 287.856 3.632 20 0 CHADMN CC(C)c1ccc(CNCc2ccnn2C(C)C)cc1 ZINC000279787484 519836239 /nfs/dbraw/zinc/83/62/39/519836239.db2.gz CMRDHZZBWRUOHM-UHFFFAOYSA-N 0 1 271.408 3.877 20 0 CHADMN CCC1(CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)CCC1 ZINC000275875140 519843018 /nfs/dbraw/zinc/84/30/18/519843018.db2.gz ONTHSMDQESEFBQ-OAHLLOKOSA-N 0 1 287.382 3.808 20 0 CHADMN Cc1noc([C@@H]2CCCN2CC[C@H]2C[C@H](C)C[C@H](C)C2)n1 ZINC000353569867 534451866 /nfs/dbraw/zinc/45/18/66/534451866.db2.gz GZOWCZNMEIGTPV-XNISGKROSA-N 0 1 291.439 3.977 20 0 CHADMN CC(C)c1nc([C@H](C)NCc2ccc3c(c2)CCCC3)n[nH]1 ZINC000291646729 519867592 /nfs/dbraw/zinc/86/75/92/519867592.db2.gz CFMADWKKNOUBMW-ZDUSSCGKSA-N 0 1 298.434 3.658 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@H]2CC(C)(C)C)o1 ZINC000339293732 519886719 /nfs/dbraw/zinc/88/67/19/519886719.db2.gz NZTDNYGGPSWRIZ-LBPRGKRZSA-N 0 1 265.401 3.594 20 0 CHADMN CC(C)n1nccc1CN(C)[C@H](C)c1ccccc1 ZINC000279678391 520098934 /nfs/dbraw/zinc/09/89/34/520098934.db2.gz PPQVDHPCFOYEES-CQSZACIVSA-N 0 1 257.381 3.657 20 0 CHADMN CCOC[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000072976417 520117903 /nfs/dbraw/zinc/11/79/03/520117903.db2.gz HSXXBXKVEDJOTQ-QWHCGFSZSA-N 0 1 283.362 3.774 20 0 CHADMN CC(F)(F)c1ccc(CNCc2ccco2)cc1 ZINC000293048966 520169534 /nfs/dbraw/zinc/16/95/34/520169534.db2.gz SYGTYYIWCJCWPK-UHFFFAOYSA-N 0 1 251.276 3.681 20 0 CHADMN CCCOCc1ccccc1CNCc1occc1C ZINC000266242054 520258403 /nfs/dbraw/zinc/25/84/03/520258403.db2.gz XPCHUWQEUXKFBY-UHFFFAOYSA-N 0 1 273.376 3.804 20 0 CHADMN CCCOc1ccc(CN[C@H](C)c2nccnc2C)c(C)c1 ZINC000276522487 520375047 /nfs/dbraw/zinc/37/50/47/520375047.db2.gz BXFPHPXICHGFQZ-OAHLLOKOSA-N 0 1 299.418 3.733 20 0 CHADMN CCCOc1ccc([C@@H](C)NCc2cnn(CC)c2)cc1 ZINC000264822647 520413758 /nfs/dbraw/zinc/41/37/58/520413758.db2.gz GLIZETQFFVHLFO-CQSZACIVSA-N 0 1 287.407 3.543 20 0 CHADMN CCCCN(C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000062649493 520421827 /nfs/dbraw/zinc/42/18/27/520421827.db2.gz BWZQUVMPCDNMKZ-UHFFFAOYSA-N 0 1 279.771 3.622 20 0 CHADMN CCCOc1cccc(CN[C@H](C)c2ccccn2)c1 ZINC000037996733 520456703 /nfs/dbraw/zinc/45/67/03/520456703.db2.gz XPWQIMQXKZOIEJ-CQSZACIVSA-N 0 1 270.376 3.721 20 0 CHADMN Cc1nocc1CN1CCC[C@H]1/C=C/c1ccccc1 ZINC000352869649 534494986 /nfs/dbraw/zinc/49/49/86/534494986.db2.gz XNDGAWIOBHGFPQ-FVNWOWOISA-N 0 1 268.360 3.661 20 0 CHADMN CCN(CC)C(=O)[C@@H](C)N(C)Cc1cccc2ccccc21 ZINC000340826753 520517350 /nfs/dbraw/zinc/51/73/50/520517350.db2.gz QPMUWRZRWJZSKO-OAHLLOKOSA-N 0 1 298.430 3.529 20 0 CHADMN CCO[C@H](CN[C@@H](C)c1csc(C)n1)c1ccccc1 ZINC000278188412 520521203 /nfs/dbraw/zinc/52/12/03/520521203.db2.gz BWLYXDYSFHMIQM-BLLLJJGKSA-N 0 1 290.432 3.880 20 0 CHADMN CCOc1cc(C)ccc1CN[C@H](C)c1ccncc1 ZINC000151719309 520681268 /nfs/dbraw/zinc/68/12/68/520681268.db2.gz OUQXEMVROGNURB-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN CCN(CC)Cc1csc(-c2ccsc2)n1 ZINC000066861736 520760143 /nfs/dbraw/zinc/76/01/43/520760143.db2.gz LALKQTNFGQIBAH-UHFFFAOYSA-N 0 1 252.408 3.713 20 0 CHADMN c1csc(CN2CCC[C@@H](c3ccccc3)C2)n1 ZINC000353642830 534519118 /nfs/dbraw/zinc/51/91/18/534519118.db2.gz IXIFMVIHDPLGTL-CQSZACIVSA-N 0 1 258.390 3.523 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1Cc1ncnn1-c1ccccc1 ZINC000337129385 521069014 /nfs/dbraw/zinc/06/90/14/521069014.db2.gz BETLPEMTTBWBDE-DOTOQJQBSA-N 0 1 298.434 3.668 20 0 CHADMN CCOc1ccc(NC(=O)c2cc(C)cc3cn[nH]c32)cc1 ZINC000338640799 521113206 /nfs/dbraw/zinc/11/32/06/521113206.db2.gz GFASAKZIYYIAMS-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN CCCC[C@H](C)N(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000291259850 521141862 /nfs/dbraw/zinc/14/18/62/521141862.db2.gz NEZXMHPUQRJFEN-ZDUSSCGKSA-N 0 1 285.391 3.727 20 0 CHADMN CCOc1cccc(CN[C@H]2CCOc3ccccc32)c1 ZINC000037678809 521376683 /nfs/dbraw/zinc/37/66/83/521376683.db2.gz IPYQIMNXYCHKSR-KRWDZBQOSA-N 0 1 283.371 3.699 20 0 CHADMN CCN(Cc1cccs1)Cc1cnc(C)s1 ZINC000299130024 521410389 /nfs/dbraw/zinc/41/03/89/521410389.db2.gz LDUYIIRAYZLOMR-UHFFFAOYSA-N 0 1 252.408 3.535 20 0 CHADMN CCN(Cc1ccncc1)Cc1ccc(F)c(C)c1 ZINC000289745692 521422866 /nfs/dbraw/zinc/42/28/66/521422866.db2.gz IVPDLVJKWDOICS-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN CCCc1csc(CNc2cc3c(cn2)CCC3)n1 ZINC000339556717 521456891 /nfs/dbraw/zinc/45/68/91/521456891.db2.gz UIEKZGJTZDZREA-UHFFFAOYSA-N 0 1 273.405 3.591 20 0 CHADMN CCCc1nc(C)c(CNCc2ccc(C)cc2)o1 ZINC000291789359 521497636 /nfs/dbraw/zinc/49/76/36/521497636.db2.gz VZGHQARISAGOIQ-UHFFFAOYSA-N 0 1 258.365 3.534 20 0 CHADMN CCCc1nc(C)c(CNCc2ccc(C)cc2C)o1 ZINC000291769577 521497981 /nfs/dbraw/zinc/49/79/81/521497981.db2.gz SRLHKRYIMSFCEA-UHFFFAOYSA-N 0 1 272.392 3.842 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])[C@@H](C)c1ccc(C(C)C)cc1 ZINC000086776164 521560809 /nfs/dbraw/zinc/56/08/09/521560809.db2.gz IEMLEHZNSTYAPC-ZDUSSCGKSA-N 0 1 263.381 3.668 20 0 CHADMN CCS[C@@H](C(=O)Nc1cc2cn[nH]c2cc1C)C(C)C ZINC000276842143 521720626 /nfs/dbraw/zinc/72/06/26/521720626.db2.gz XKZMJNIRTKZCNW-CQSZACIVSA-N 0 1 291.420 3.588 20 0 CHADMN CCSc1cc(CNCc2ccc(C)c(F)c2)ccn1 ZINC000275041723 521733990 /nfs/dbraw/zinc/73/39/90/521733990.db2.gz HEOLGAHKEQBLSN-UHFFFAOYSA-N 0 1 290.407 3.931 20 0 CHADMN CN(C)Cc1ccc(NC[C@@H]2CCC=CO2)cc1Cl ZINC000280173453 521910882 /nfs/dbraw/zinc/91/08/82/521910882.db2.gz GESWIZORZVLFLV-AWEZNQCLSA-N 0 1 280.799 3.506 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@@H](C)c1ccncc1F ZINC000340317580 522084374 /nfs/dbraw/zinc/08/43/74/522084374.db2.gz QMIDDZPVLKWORL-NEPJUHHUSA-N 0 1 273.355 3.590 20 0 CHADMN CC[C@@H](C)N(Cc1n[nH]cc1C)Cc1ccccc1 ZINC000290351238 522104603 /nfs/dbraw/zinc/10/46/03/522104603.db2.gz FPGVEXHEZVXRRX-CQSZACIVSA-N 0 1 257.381 3.519 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2C[C@@H](C)c3ccccc32)o1 ZINC000291931911 522207437 /nfs/dbraw/zinc/20/74/37/522207437.db2.gz OXPDBANNPYKWEH-IAQYHMDHSA-N 0 1 270.376 3.884 20 0 CHADMN CCc1nc(C)c(CN[C@@H](CC)c2ccc(F)cc2)o1 ZINC000291941903 522208041 /nfs/dbraw/zinc/20/80/41/522208041.db2.gz PXVAEFZUKLBAJY-AWEZNQCLSA-N 0 1 276.355 3.925 20 0 CHADMN CCc1nc(C)c(CN[C@H]2C[C@H](C)c3ccccc32)o1 ZINC000291931916 522210925 /nfs/dbraw/zinc/21/09/25/522210925.db2.gz OXPDBANNPYKWEH-NHYWBVRUSA-N 0 1 270.376 3.884 20 0 CHADMN CC[C@H](Cc1ccccc1)N(C)Cc1nc(C)c(C)o1 ZINC000128665933 522309954 /nfs/dbraw/zinc/30/99/54/522309954.db2.gz NOZSZLPXGQNCRV-MRXNPFEDSA-N 0 1 272.392 3.745 20 0 CHADMN CC[C@H](Cc1nc([C@@H](N)CC(C)C)no1)c1ccccc1 ZINC000339393900 522317675 /nfs/dbraw/zinc/31/76/75/522317675.db2.gz MMWPATUUQNAYIM-HIFRSBDPSA-N 0 1 287.407 3.852 20 0 CHADMN COc1cc(CN(C)Cc2csc3ccccc23)ccn1 ZINC000339868331 522356417 /nfs/dbraw/zinc/35/64/17/522356417.db2.gz WHCCAEBBWNGUDI-UHFFFAOYSA-N 0 1 298.411 3.937 20 0 CHADMN COC[C@@H](NCc1cnc2ccccc2c1)c1ccccc1 ZINC000337188464 522369256 /nfs/dbraw/zinc/36/92/56/522369256.db2.gz QTWFOKJADCSPQP-LJQANCHMSA-N 0 1 292.382 3.712 20 0 CHADMN COC(=O)c1coc([C@@H](C)N[C@H](c2ccccc2)C2CC2)c1 ZINC000278336831 522376734 /nfs/dbraw/zinc/37/67/34/522376734.db2.gz XCNHYLQTXYYCMC-SJKOYZFVSA-N 0 1 299.370 3.868 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2cc(C)ccc2F)n[nH]1 ZINC000277392981 522437938 /nfs/dbraw/zinc/43/79/38/522437938.db2.gz JSZWICLOULLDNZ-VXGBXAGGSA-N 0 1 290.386 3.617 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)Nc2nc3ccccc3o2)n[nH]1 ZINC000277532200 522438366 /nfs/dbraw/zinc/43/83/66/522438366.db2.gz YLTDUGPYRMBIGB-NXEZZACHSA-N 0 1 285.351 3.633 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2ccsc2C)n[nH]1 ZINC000339373259 522440690 /nfs/dbraw/zinc/44/06/90/522440690.db2.gz LHWUSTDSXDMLJP-ZJUUUORDSA-N 0 1 278.425 3.539 20 0 CHADMN CCc1nc([C@H](C)N[C@@H]2C[C@@H](C(C)C)c3ccccc32)n[nH]1 ZINC000278858224 522452952 /nfs/dbraw/zinc/45/29/52/522452952.db2.gz WEBITNNJFJXMPM-VBNZEHGJSA-N 0 1 298.434 3.902 20 0 CHADMN CCc1nc([C@H](C)N[C@H]2C[C@@H](C(C)C)c3ccccc32)n[nH]1 ZINC000278858222 522456780 /nfs/dbraw/zinc/45/67/80/522456780.db2.gz WEBITNNJFJXMPM-RCBQFDQVSA-N 0 1 298.434 3.902 20 0 CHADMN CC[C@H](NC(=O)c1cccc2nc(C)[nH]c21)c1ccccc1 ZINC000338505860 522544749 /nfs/dbraw/zinc/54/47/49/522544749.db2.gz RIGIOCNLMWSFJG-HNNXBMFYSA-N 0 1 293.370 3.752 20 0 CHADMN CCc1ncc(CNC(C)(C)c2ccccc2F)s1 ZINC000291756807 522553205 /nfs/dbraw/zinc/55/32/05/522553205.db2.gz QYTXGADBMWWIIW-UHFFFAOYSA-N 0 1 278.396 3.870 20 0 CHADMN Cc1cnc([C@H](C)N2CCC(C)=C(c3ccco3)C2)cn1 ZINC000336516035 534642923 /nfs/dbraw/zinc/64/29/23/534642923.db2.gz DXFSOOGGFFZTIS-AWEZNQCLSA-N 0 1 283.375 3.618 20 0 CHADMN CC[C@@H](Cc1nc([C@@H](N)CC(C)C)no1)c1ccccc1 ZINC000339393908 522637242 /nfs/dbraw/zinc/63/72/42/522637242.db2.gz MMWPATUUQNAYIM-ZFWWWQNUSA-N 0 1 287.407 3.852 20 0 CHADMN COC1CCN(CCc2c(Cl)cccc2Cl)CC1 ZINC000296661352 522703725 /nfs/dbraw/zinc/70/37/25/522703725.db2.gz YJDKYKHTOJJPGW-UHFFFAOYSA-N 0 1 288.218 3.647 20 0 CHADMN COC[C@H](N[C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000291133364 522767212 /nfs/dbraw/zinc/76/72/12/522767212.db2.gz GZEBWNUGBBLQDV-OALUTQOASA-N 0 1 297.398 3.747 20 0 CHADMN CCc1nnc(SCc2ccc(C(C)C)nc2CC)[nH]1 ZINC000292774343 522783140 /nfs/dbraw/zinc/78/31/40/522783140.db2.gz XUNVPKWEKBMSGR-UHFFFAOYSA-N 0 1 290.436 3.740 20 0 CHADMN CCc1n[nH]c(SCc2ccc(C(C)C)nc2CC)n1 ZINC000292774343 522783148 /nfs/dbraw/zinc/78/31/48/522783148.db2.gz XUNVPKWEKBMSGR-UHFFFAOYSA-N 0 1 290.436 3.740 20 0 CHADMN CCc1noc(C)c1CNCc1cc(Cl)cs1 ZINC000292891779 522842642 /nfs/dbraw/zinc/84/26/42/522842642.db2.gz FWLPMEUOUCVYPW-UHFFFAOYSA-N 0 1 270.785 3.550 20 0 CHADMN CCc1noc(C)c1CNCc1ccc(C(C)C)cc1 ZINC000293001128 522845420 /nfs/dbraw/zinc/84/54/20/522845420.db2.gz OVQMNTVRWGNMNM-UHFFFAOYSA-N 0 1 272.392 3.959 20 0 CHADMN CC[C@@H](NCc1c[nH]nc1C)c1ccc(Cl)s1 ZINC000265191889 522868055 /nfs/dbraw/zinc/86/80/55/522868055.db2.gz YMEZQKRVDAWRLU-SNVBAGLBSA-N 0 1 269.801 3.674 20 0 CHADMN CC[C@@H](NCc1n[nH]c(C(C)C)n1)c1cccc(Cl)c1 ZINC000293131609 522891423 /nfs/dbraw/zinc/89/14/23/522891423.db2.gz LGSMVKCHCXJMCE-CYBMUJFWSA-N 0 1 292.814 3.822 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N(C)Cc1ccccn1 ZINC000264307852 522930166 /nfs/dbraw/zinc/93/01/66/522930166.db2.gz XODUFWGNIOVQHZ-MRXNPFEDSA-N 0 1 258.340 3.804 20 0 CHADMN CCc1nocc1CN(C)[C@@H](CC)c1ccccc1 ZINC000293479010 522934914 /nfs/dbraw/zinc/93/49/14/522934914.db2.gz RRNOCPINAMHIAF-INIZCTEOSA-N 0 1 258.365 3.820 20 0 CHADMN COCc1ccc(CN[C@H](C)c2ccc(Cl)cn2)cc1 ZINC000274907563 522994996 /nfs/dbraw/zinc/99/49/96/522994996.db2.gz MKGFYYOXSRDXRY-GFCCVEGCSA-N 0 1 290.794 3.732 20 0 CHADMN CC[C@H]1CCCCCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000338571752 522995678 /nfs/dbraw/zinc/99/56/78/522995678.db2.gz GHDWCXPIDAIDLT-ZDUSSCGKSA-N 0 1 285.391 3.666 20 0 CHADMN COCc1cccc(CNCc2ccc(F)cc2Cl)c1 ZINC000037999871 523054399 /nfs/dbraw/zinc/05/43/99/523054399.db2.gz QLVKQTXDMKVZJL-UHFFFAOYSA-N 0 1 293.769 3.915 20 0 CHADMN CCc1sc(C(=O)Nc2c(C)n[nH]c2C(F)F)cc1C ZINC000271267780 523076528 /nfs/dbraw/zinc/07/65/28/523076528.db2.gz LCNNAPFDPWXKQK-UHFFFAOYSA-N 0 1 299.346 3.840 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226455283 523099026 /nfs/dbraw/zinc/09/90/26/523099026.db2.gz AJZGHCICGGYNIZ-HOCLYGCPSA-N 0 1 275.392 3.715 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1ccccc1OC ZINC000290525416 523120009 /nfs/dbraw/zinc/12/00/09/523120009.db2.gz QGVHWYAAWFVFAI-INIZCTEOSA-N 0 1 270.376 3.673 20 0 CHADMN COCCCC[C@H](NCc1conc1C)c1ccccc1 ZINC000339376451 523187778 /nfs/dbraw/zinc/18/77/78/523187778.db2.gz IPQMOTISSCGNAO-KRWDZBQOSA-N 0 1 288.391 3.631 20 0 CHADMN CC[C@H]1CN(Cc2cnns2)CC[C@@H]1c1ccccc1 ZINC000290085811 523293347 /nfs/dbraw/zinc/29/33/47/523293347.db2.gz QZUQEDKGQSYQDI-BBRMVZONSA-N 0 1 287.432 3.554 20 0 CHADMN CN(Cc1cccnc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291209590 523416653 /nfs/dbraw/zinc/41/66/53/523416653.db2.gz IIORDEBWEONXDI-OLZOCXBDSA-N 0 1 272.314 3.635 20 0 CHADMN CO[C@@H](C)CN[C@@H](C)c1cc(Cl)sc1Cl ZINC000188136099 523420029 /nfs/dbraw/zinc/42/00/29/523420029.db2.gz KJUYQEOWGVRYEX-BQBZGAKWSA-N 0 1 268.209 3.740 20 0 CHADMN CO[C@@H](C)[C@H](C)NCc1cc(Cl)sc1Cl ZINC000308921085 523442995 /nfs/dbraw/zinc/44/29/95/523442995.db2.gz HBFHEFBQUMSLMT-BQBZGAKWSA-N 0 1 268.209 3.568 20 0 CHADMN COC(=O)Nc1cccc(CN[C@H](C)c2ccc(C)o2)c1 ZINC000286378329 523472491 /nfs/dbraw/zinc/47/24/91/523472491.db2.gz AMWYGKBUGODXIT-GFCCVEGCSA-N 0 1 288.347 3.617 20 0 CHADMN CO[C@@H](C)c1noc(CN2CCCCC[C@H]2CC(C)C)n1 ZINC000245460005 523485662 /nfs/dbraw/zinc/48/56/62/523485662.db2.gz DYFXHPXKIQAZLT-KBPBESRZSA-N 0 1 295.427 3.568 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000297523985 523557485 /nfs/dbraw/zinc/55/74/85/523557485.db2.gz DDQVJHQUBKNBKY-GJZGRUSLSA-N 0 1 271.408 3.932 20 0 CHADMN COc1ccc(C)cc1CN[C@@H](C)c1ccsc1 ZINC000061361279 523811747 /nfs/dbraw/zinc/81/17/47/523811747.db2.gz ZNBGRARYDVCHHF-LBPRGKRZSA-N 0 1 261.390 3.916 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1ccc(F)nc1C ZINC000278345507 523853209 /nfs/dbraw/zinc/85/32/09/523853209.db2.gz HTPLMOUOKIMPIG-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN CO[C@H](C)CN[C@@H](C)c1cc(Cl)sc1Cl ZINC000188136120 523885454 /nfs/dbraw/zinc/88/54/54/523885454.db2.gz KJUYQEOWGVRYEX-RQJHMYQMSA-N 0 1 268.209 3.740 20 0 CHADMN CO[C@H](C)[C@H](C)NCc1csc(Cl)c1Cl ZINC000308899754 523899335 /nfs/dbraw/zinc/89/93/35/523899335.db2.gz BBAVTKUUAIMDKW-NKWVEPMBSA-N 0 1 268.209 3.568 20 0 CHADMN Cc1ncc(CN[C@H]2c3cccc(F)c3CC[C@@H]2C)o1 ZINC000335277413 534746310 /nfs/dbraw/zinc/74/63/10/534746310.db2.gz KMVVOQIEDMBLSY-MGPLVRAMSA-N 0 1 274.339 3.535 20 0 CHADMN CN1Cc2ccc(NCc3cccc(O)c3Cl)cc2C1 ZINC000293314069 524028863 /nfs/dbraw/zinc/02/88/63/524028863.db2.gz QNSNOFYAFQZHRL-UHFFFAOYSA-N 0 1 288.778 3.603 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)o1 ZINC000277188917 524047718 /nfs/dbraw/zinc/04/77/18/524047718.db2.gz IMJTXZDWISKFOC-GRYCIOLGSA-N 0 1 290.411 3.885 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(F)c(F)c2)cc1O ZINC000034992867 524089384 /nfs/dbraw/zinc/08/93/84/524089384.db2.gz HJYDDAMAXCJPGX-SNVBAGLBSA-N 0 1 293.313 3.530 20 0 CHADMN C[C@H]1CCC[C@H](C)N1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000110713074 524186102 /nfs/dbraw/zinc/18/61/02/524186102.db2.gz XIPFQYQXMKMHJD-QWRGUYRKSA-N 0 1 289.404 3.541 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1CCCC1(C)C ZINC000077382654 524232056 /nfs/dbraw/zinc/23/20/56/524232056.db2.gz JLJZDVWRVNFEAO-UHFFFAOYSA-N 0 1 288.435 3.931 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000110713077 524274980 /nfs/dbraw/zinc/27/49/80/524274980.db2.gz XIPFQYQXMKMHJD-GHMZBOCLSA-N 0 1 289.404 3.541 20 0 CHADMN COc1ccccc1-c1nc(CN2CCC[C@@H]2C)cs1 ZINC000072874511 524279536 /nfs/dbraw/zinc/27/95/36/524279536.db2.gz JRYZVVZAGSFKOH-LBPRGKRZSA-N 0 1 288.416 3.803 20 0 CHADMN COc1ccccc1-c1nc(CN2CC[C@@H](C)C2)cs1 ZINC000263713112 524280521 /nfs/dbraw/zinc/28/05/21/524280521.db2.gz NMTPZULCTRZHOJ-GFCCVEGCSA-N 0 1 288.416 3.661 20 0 CHADMN C[C@H]1CCN(Cc2csc(-c3ccco3)n2)[C@H]1C ZINC000248333318 524298942 /nfs/dbraw/zinc/29/89/42/524298942.db2.gz FSLAAMSMHGGXNK-QWRGUYRKSA-N 0 1 262.378 3.633 20 0 CHADMN Cc1ccc(CN(C)CCO[C@@H]2CCCC[C@H]2C)o1 ZINC000338404467 524390297 /nfs/dbraw/zinc/39/02/97/524390297.db2.gz BZOZSRXBBZQOBW-CZUORRHYSA-N 0 1 265.397 3.615 20 0 CHADMN C[C@H]1CC[C@H](N[C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000275891595 524423159 /nfs/dbraw/zinc/42/31/59/524423159.db2.gz QUIGMTZSYLJIHR-RCBQFDQVSA-N 0 1 287.382 3.807 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2n[nH]c(C(C)(C)C)n2)c1 ZINC000292974042 524461580 /nfs/dbraw/zinc/46/15/80/524461580.db2.gz QHZGCYDINWHDCA-CYBMUJFWSA-N 0 1 286.423 3.570 20 0 CHADMN C[C@@H]1CC[C@@H](c2ccccc2)N(Cc2ccon2)C1 ZINC000285645796 524620451 /nfs/dbraw/zinc/62/04/51/524620451.db2.gz SALFOTRHECWMSI-CJNGLKHVSA-N 0 1 256.349 3.648 20 0 CHADMN Cc1cccc(NCCCCCC(=O)OC(C)(C)C)n1 ZINC000157770467 524674092 /nfs/dbraw/zinc/67/40/92/524674092.db2.gz KUTGUJNFBKPFOI-UHFFFAOYSA-N 0 1 278.396 3.704 20 0 CHADMN Cc1cccc(NCCc2nc(C(F)(F)F)cs2)n1 ZINC000128024472 524675511 /nfs/dbraw/zinc/67/55/11/524675511.db2.gz KIKSPHUNFSSIOE-UHFFFAOYSA-N 0 1 287.310 3.520 20 0 CHADMN Cc1cc(CN[C@@H](CC(C)C)c2ccccc2)on1 ZINC000044299632 524765938 /nfs/dbraw/zinc/76/59/38/524765938.db2.gz LRMPDJHKVFYDAC-INIZCTEOSA-N 0 1 258.365 3.860 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc3ccccc3s2)ncn1 ZINC000275877252 524767597 /nfs/dbraw/zinc/76/75/97/524767597.db2.gz OSPDXUOAKITKBT-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN COc1ccnc(CN(C)[C@H](C)c2ccccc2C)c1 ZINC000264427607 524829097 /nfs/dbraw/zinc/82/90/97/524829097.db2.gz NGWWBTTVCNLXRD-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN COc1ccncc1CN[C@@H]1CCCCc2ccccc21 ZINC000292323467 524858199 /nfs/dbraw/zinc/85/81/99/524858199.db2.gz CAUYWMJVSFQNND-QGZVFWFLSA-N 0 1 282.387 3.648 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@H]1CCC(F)(F)C1 ZINC000336077343 534820760 /nfs/dbraw/zinc/82/07/60/534820760.db2.gz QUEPDCGLZHMBAL-LURJTMIESA-N 0 1 293.672 3.559 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@@H](C)c1cccs1 ZINC000268856468 524962765 /nfs/dbraw/zinc/96/27/65/524962765.db2.gz QKNWEPRZZPBHMP-LBPRGKRZSA-N 0 1 276.405 3.619 20 0 CHADMN C[C@@H](N(C)C(=O)c1ccc(O)c(Cl)c1)C(C)(C)C ZINC000055391330 524983053 /nfs/dbraw/zinc/98/30/53/524983053.db2.gz ODNDHFVZXHKGSJ-SECBINFHSA-N 0 1 269.772 3.552 20 0 CHADMN COc1ncccc1CN[C@H](C)c1ccccc1SC ZINC000194845487 525063627 /nfs/dbraw/zinc/06/36/27/525063627.db2.gz KCXLMXUAYSMXNC-GFCCVEGCSA-N 0 1 288.416 3.663 20 0 CHADMN Cc1ccccc1C1(C(=O)Nc2ccc3nc[nH]c3c2)CC1 ZINC000339282919 525078281 /nfs/dbraw/zinc/07/82/81/525078281.db2.gz NKZSESXQLCYWJV-UHFFFAOYSA-N 0 1 291.354 3.542 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(F)c(F)c2)c(F)c1 ZINC000049577494 525154358 /nfs/dbraw/zinc/15/43/58/525154358.db2.gz YTAFDQGGTRNGNO-SNVBAGLBSA-N 0 1 295.304 3.963 20 0 CHADMN Cc1ccc(NC(=O)c2cc(C)cc3cn[nH]c32)c(F)c1 ZINC000338639477 525230388 /nfs/dbraw/zinc/23/03/88/525230388.db2.gz CAHQNICDBUOILQ-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1ccc(NC(=O)c2cc3[nH]cnc3cc2F)cc1C ZINC000340787816 525235605 /nfs/dbraw/zinc/23/56/05/525235605.db2.gz DKIUQGSTJUNTEP-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN COc1ccc([C@H](C)N[C@@H]2CCCc3occc32)cc1O ZINC000289617700 525332585 /nfs/dbraw/zinc/33/25/85/525332585.db2.gz GQEUGUWTLBJTNV-SMDDNHRTSA-N 0 1 287.359 3.722 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(F)cc2)o1 ZINC000019943502 525340729 /nfs/dbraw/zinc/34/07/29/525340729.db2.gz DPILMCNBWPUGPU-ABAIWWIYSA-N 0 1 259.324 3.832 20 0 CHADMN C[C@H](NCc1cc2ccc(F)cc2[nH]1)c1ccncc1F ZINC000337950298 525432658 /nfs/dbraw/zinc/43/26/58/525432658.db2.gz CFQQWJVYFKLXIY-JTQLQIEISA-N 0 1 287.313 3.692 20 0 CHADMN C[C@H](NCc1cc(O)cc(C(F)(F)F)c1)c1cccnc1 ZINC000289975526 525434597 /nfs/dbraw/zinc/43/45/97/525434597.db2.gz RJPLYUIJBTWQKB-JTQLQIEISA-N 0 1 296.292 3.657 20 0 CHADMN CSCCCN(C)Cc1ccccc1Br ZINC000308783717 525445128 /nfs/dbraw/zinc/44/51/28/525445128.db2.gz WJDHKKKXVYJYLW-UHFFFAOYSA-N 0 1 288.254 3.634 20 0 CHADMN C[C@H](NCc1cccc2c1OCCCO2)c1ccccc1 ZINC000036167428 525458757 /nfs/dbraw/zinc/45/87/57/525458757.db2.gz YKZPVYLWVVWJBE-AWEZNQCLSA-N 0 1 283.371 3.699 20 0 CHADMN Cc1cc([C@@H](C)NCC(C)(C)c2ccccc2F)no1 ZINC000284162520 525458931 /nfs/dbraw/zinc/45/89/31/525458931.db2.gz PWIBVOTZOOEGCC-GFCCVEGCSA-N 0 1 276.355 3.751 20 0 CHADMN C[C@H](NCc1ccccc1OC(F)F)c1cccc(O)c1 ZINC000020131689 525462065 /nfs/dbraw/zinc/46/20/65/525462065.db2.gz IVZQBQUFRXVFBY-NSHDSACASA-N 0 1 293.313 3.844 20 0 CHADMN C[C@H](NCc1ccco1)c1cccc(OC(F)F)c1 ZINC000020084010 525469210 /nfs/dbraw/zinc/46/92/10/525469210.db2.gz BPNAASQPEXEHOT-JTQLQIEISA-N 0 1 267.275 3.732 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c(C)o1 ZINC000278668068 525472486 /nfs/dbraw/zinc/47/24/86/525472486.db2.gz JBRSNVJNFAKSLQ-MNOVXSKESA-N 0 1 276.384 3.550 20 0 CHADMN C[C@H](NCc1ccncc1)c1ccccc1OC(F)F ZINC000020140004 525472387 /nfs/dbraw/zinc/47/23/87/525472387.db2.gz AJFIQYTZPSJWPD-NSHDSACASA-N 0 1 278.302 3.534 20 0 CHADMN C[C@H](NCc1coc2ccccc12)c1cncc(F)c1 ZINC000339408211 525482958 /nfs/dbraw/zinc/48/29/58/525482958.db2.gz RNMNWCVPHUVYLJ-NSHDSACASA-N 0 1 270.307 3.818 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)C1CC1)c1nccs1 ZINC000080265198 525545462 /nfs/dbraw/zinc/54/54/62/525545462.db2.gz GDSGRGCTSCAWFH-FZMZJTMJSA-N 0 1 258.390 3.945 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cccc2O)c1ccc(Cl)cn1 ZINC000274871346 525581278 /nfs/dbraw/zinc/58/12/78/525581278.db2.gz FRQBECXRKRTTHA-ZUZCIYMTSA-N 0 1 288.778 3.779 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(O)c1)c1ccccc1F ZINC000037151470 525610805 /nfs/dbraw/zinc/61/08/05/525610805.db2.gz SDWKUKYAIOFPBX-NWDGAFQWSA-N 0 1 259.324 3.943 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2n[nH]cc2c1)c1cncc(F)c1 ZINC000353096337 525611673 /nfs/dbraw/zinc/61/16/73/525611673.db2.gz DPRYHWVQDLWMCZ-WDEREUQCSA-N 0 1 284.338 3.509 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000338638706 525629937 /nfs/dbraw/zinc/62/99/37/525629937.db2.gz GRTCFMYKVLWVKZ-BBRMVZONSA-N 0 1 297.402 3.666 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C)C2CCCCCC2)c1 ZINC000338641029 525630308 /nfs/dbraw/zinc/63/03/08/525630308.db2.gz LKYOMZZLQDCESA-UHFFFAOYSA-N 0 1 285.391 3.666 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)c1 ZINC000338676818 525630989 /nfs/dbraw/zinc/63/09/89/525630989.db2.gz KREAPZKHISWFEI-RISCZKNCSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@H]3CCCC[C@H]32)c1 ZINC000338638708 525631736 /nfs/dbraw/zinc/63/17/36/525631736.db2.gz GRTCFMYKVLWVKZ-CZUORRHYSA-N 0 1 297.402 3.666 20 0 CHADMN C[C@@H](N[C@H]1CCCc2nn(C)cc21)c1ccccc1Cl ZINC000280072035 525682048 /nfs/dbraw/zinc/68/20/48/525682048.db2.gz LBZXSGXFWZGVBW-ABAIWWIYSA-N 0 1 289.810 3.802 20 0 CHADMN Cc1ccnc([C@H](C)NCc2ccc(Cl)cc2)c1 ZINC000285482147 525713002 /nfs/dbraw/zinc/71/30/02/525713002.db2.gz BNYCXJAIRRNJJU-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1ccncc1CN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000353653081 525742037 /nfs/dbraw/zinc/74/20/37/525742037.db2.gz SETZGWBYTUXPBM-CJNGLKHVSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H]1CCOc2c(F)cccc21 ZINC000276925776 525764414 /nfs/dbraw/zinc/76/44/14/525764414.db2.gz NDWQCZJOBMXJCF-WBMJQRKESA-N 0 1 286.350 3.704 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1ccc2c(n1)CCCC2 ZINC000278335789 525764926 /nfs/dbraw/zinc/76/49/26/525764926.db2.gz CDRVJMTZUZIKFW-CQSZACIVSA-N 0 1 281.403 3.515 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2c[nH]c3nccnc23)o1 ZINC000290528063 525802082 /nfs/dbraw/zinc/80/20/82/525802082.db2.gz VAQCWCKLHLDBRD-AWEZNQCLSA-N 0 1 296.374 3.587 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)N(Cc3nc(C4CC4)no3)C2)cc1 ZINC000278390394 525853596 /nfs/dbraw/zinc/85/35/96/525853596.db2.gz DTHLHBMZFXGKDZ-XJKSGUPXSA-N 0 1 297.402 3.633 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2cc(C)ncn2)o1 ZINC000292326135 525853773 /nfs/dbraw/zinc/85/37/73/525853773.db2.gz BTQVHCOKWFEKFT-WBMJQRKESA-N 0 1 285.391 3.660 20 0 CHADMN Cc1c([C@H](C)NCc2ccc(F)c(F)c2)cnn1C(C)C ZINC000276292903 525920950 /nfs/dbraw/zinc/92/09/50/525920950.db2.gz BQRMAFMPNSCXEX-NSHDSACASA-N 0 1 293.361 3.901 20 0 CHADMN Cc1ccc([C@H](NC[C@H]2CC[C@H](C)O2)c2ccccn2)cc1 ZINC000279984087 525969065 /nfs/dbraw/zinc/96/90/65/525969065.db2.gz IHQPAMBBEKZAPC-WDYCEAGBSA-N 0 1 296.414 3.637 20 0 CHADMN Cc1ccc([C@H](O)CN2CC(C)(C)[C@H]2c2ccncc2)cc1 ZINC000292491249 525972250 /nfs/dbraw/zinc/97/22/50/525972250.db2.gz RRGMKBPJRBWUTH-QZTJIDSGSA-N 0 1 296.414 3.507 20 0 CHADMN Cc1ccc([C@H](O)CN[C@H](C)c2ccc(F)cc2Cl)o1 ZINC000269072975 525976419 /nfs/dbraw/zinc/97/64/19/525976419.db2.gz XQSDCFRHAKUKSN-QMTHXVAHSA-N 0 1 297.757 3.765 20 0 CHADMN Cc1cnc(C2CCN(Cc3cnc(C)s3)CC2)s1 ZINC000277440698 525987487 /nfs/dbraw/zinc/98/74/87/525987487.db2.gz KDDYOZIVABZBQB-UHFFFAOYSA-N 0 1 293.461 3.596 20 0 CHADMN Cc1c[nH]cc1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000340905309 526012576 /nfs/dbraw/zinc/01/25/76/526012576.db2.gz ICIVVYMPVANADD-UHFFFAOYSA-N 0 1 294.358 3.719 20 0 CHADMN Cc1cn[nH]c1CN(C)Cc1cccc(Cl)c1Cl ZINC000290402964 526019386 /nfs/dbraw/zinc/01/93/86/526019386.db2.gz KOHHIPIGGYCBHD-UHFFFAOYSA-N 0 1 284.190 3.657 20 0 CHADMN Cc1cnc(CN2CC[C@H](c3ccccc3F)C2)s1 ZINC000339380250 526025892 /nfs/dbraw/zinc/02/58/92/526025892.db2.gz WFLGKPUUSQBFOY-LBPRGKRZSA-N 0 1 276.380 3.580 20 0 CHADMN Cc1cnc(CNC(C)(C)c2ccccc2C)s1 ZINC000292995112 526037610 /nfs/dbraw/zinc/03/76/10/526037610.db2.gz MOMAGXIGAOGMSH-UHFFFAOYSA-N 0 1 260.406 3.785 20 0 CHADMN Cc1cn[nH]c1CNc1cccc(C2SCCS2)c1 ZINC000289463996 526037648 /nfs/dbraw/zinc/03/76/48/526037648.db2.gz IIZBDTWMTGQUMY-UHFFFAOYSA-N 0 1 291.445 3.809 20 0 CHADMN C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226454502 526038765 /nfs/dbraw/zinc/03/87/65/526038765.db2.gz SZWBWQVTGDJRBT-NEPJUHHUSA-N 0 1 297.345 3.603 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H](C)C(C)C)[nH]c2c1 ZINC000265052249 526105702 /nfs/dbraw/zinc/10/57/02/526105702.db2.gz QBMZKKODXXRZHX-BBRMVZONSA-N 0 1 299.418 3.827 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3Cc3ccncc3)[nH]c2c1 ZINC000289427736 526108675 /nfs/dbraw/zinc/10/86/75/526108675.db2.gz VIHFJTBJEJJSCD-QGZVFWFLSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1cc(N[C@H](C)c2cncs2)c2cc(F)ccc2n1 ZINC000340859286 526114442 /nfs/dbraw/zinc/11/44/42/526114442.db2.gz QMYLEZIFLQRMPM-SNVBAGLBSA-N 0 1 287.363 3.734 20 0 CHADMN C[C@@H](c1cccnc1)N(C)Cc1cccc(OC(F)F)c1 ZINC000066472530 526120889 /nfs/dbraw/zinc/12/08/89/526120889.db2.gz OZXRVMROICGRSC-LBPRGKRZSA-N 0 1 292.329 3.876 20 0 CHADMN C[C@@H](c1nc(-c2ccn3cncc3c2)no1)C(C)(C)C ZINC000279604363 526163117 /nfs/dbraw/zinc/16/31/17/526163117.db2.gz RGRNJSOANLNOQQ-JTQLQIEISA-N 0 1 270.336 3.534 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N1C[C@H]2CCCC[C@H]21 ZINC000368012948 526180827 /nfs/dbraw/zinc/18/08/27/526180827.db2.gz ZRSKIJWCUIHTIC-YRGRVCCFSA-N 0 1 256.349 3.763 20 0 CHADMN Cc1ccc2cc(CN(C)Cc3cnccc3C)ccc2n1 ZINC000355598304 526228725 /nfs/dbraw/zinc/22/87/25/526228725.db2.gz GJUAYQKZSYYRLO-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN Cc1ccc(C(C)(C)c2nc([C@H](N)CC(C)C)no2)cc1 ZINC000339397117 526246974 /nfs/dbraw/zinc/24/69/74/526246974.db2.gz WKOYRRPDRDZCJG-CQSZACIVSA-N 0 1 287.407 3.750 20 0 CHADMN Cc1cnn(C)c1CN[C@H]1CCCc2sc(Cl)cc21 ZINC000291828607 526253127 /nfs/dbraw/zinc/25/31/27/526253127.db2.gz ZYRWEQBPNUTDJY-NSHDSACASA-N 0 1 295.839 3.611 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCC1CCCC1 ZINC000248515457 526291452 /nfs/dbraw/zinc/29/14/52/526291452.db2.gz GBEJZUBMTLDYOG-PMPSAXMXSA-N 0 1 279.424 3.675 20 0 CHADMN O=C([O-])[C@H]1CCC[N@H+]1CC1CCC(c2ccccc2)CC1 ZINC000263579964 526324900 /nfs/dbraw/zinc/32/49/00/526324900.db2.gz VKDXCURTNVEWDN-BDVYOWHSSA-N 0 1 287.403 3.509 20 0 CHADMN Fc1ccc(C2=CC[C@@H](NCC(F)F)CC2)cc1 ZINC000291465514 526325682 /nfs/dbraw/zinc/32/56/82/526325682.db2.gz OGOLUBLSTZNSPW-CYBMUJFWSA-N 0 1 255.283 3.616 20 0 CHADMN Oc1ccc(-c2nc(C3CC(F)(F)C3)no2)cc1Cl ZINC000296407098 526337547 /nfs/dbraw/zinc/33/75/47/526337547.db2.gz KRUALEVRYCHSSS-UHFFFAOYSA-N 0 1 286.665 3.608 20 0 CHADMN Fc1ccc(F)c(CN[C@@H](c2cccnc2)C2CCC2)c1 ZINC000280178974 526349189 /nfs/dbraw/zinc/34/91/89/526349189.db2.gz ABBATDYCKYZZFW-QGZVFWFLSA-N 0 1 288.341 3.991 20 0 CHADMN Fc1ccc(N[C@@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000292203882 526356009 /nfs/dbraw/zinc/35/60/09/526356009.db2.gz PQSURLFPWCRYPZ-CQSZACIVSA-N 0 1 274.343 3.677 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000045083893 526364368 /nfs/dbraw/zinc/36/43/68/526364368.db2.gz GMBVLQATMMQDTN-INIZCTEOSA-N 0 1 273.376 3.539 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2C2CCCCC2)cc1 ZINC000263570346 526364696 /nfs/dbraw/zinc/36/46/96/526364696.db2.gz ICNGOGSRPNOILR-KRWDZBQOSA-N 0 1 287.403 3.930 20 0 CHADMN Fc1ccc([C@H](N[C@H]2CCn3ccnc32)C2CCCC2)cc1 ZINC000297688986 526366752 /nfs/dbraw/zinc/36/67/52/526366752.db2.gz LUFGRQBHSQGKMQ-DLBZAZTESA-N 0 1 299.393 3.988 20 0 CHADMN Oc1cccc2c1CCC[C@H]2NCc1ccc(Cl)cn1 ZINC000276841608 526366959 /nfs/dbraw/zinc/36/69/59/526366959.db2.gz SDKHUSOJUANXTH-OAHLLOKOSA-N 0 1 288.778 3.608 20 0 CHADMN c1c[nH]c([C@H]2CCCN2Cc2cccc3c2OCCCO3)c1 ZINC000127439004 526410802 /nfs/dbraw/zinc/41/08/02/526410802.db2.gz JIBSEYMSBFDZHY-MRXNPFEDSA-N 0 1 298.386 3.513 20 0 CHADMN Cc1csc([C@@H](C)NCc2ccc(C)cc2C)n1 ZINC000069168664 526413224 /nfs/dbraw/zinc/41/32/24/526413224.db2.gz UZQWCVTWHYCOSI-CYBMUJFWSA-N 0 1 260.406 3.919 20 0 CHADMN c1cc(-c2noc(CN(C3CCC3)C3CCC3)n2)cs1 ZINC000292504729 526415725 /nfs/dbraw/zinc/41/57/25/526415725.db2.gz UXUHHTODZRUYFA-UHFFFAOYSA-N 0 1 289.404 3.705 20 0 CHADMN Fc1ccccc1[C@]1(F)CCN(CC[C@H]2CCCCO2)C1 ZINC000338592511 526418298 /nfs/dbraw/zinc/41/82/98/526418298.db2.gz GSMYJKFLCDVJHH-PBHICJAKSA-N 0 1 295.373 3.655 20 0 CHADMN c1cc2c(cccc2CNCc2nc(C3CC3)cs2)[nH]1 ZINC000131060796 526441547 /nfs/dbraw/zinc/44/15/47/526441547.db2.gz YJOVNLVSGAVXPD-UHFFFAOYSA-N 0 1 283.400 3.792 20 0 CHADMN Cc1noc(C)c1CNCc1ccc(C(C)(C)C)cc1 ZINC000063550308 526514846 /nfs/dbraw/zinc/51/48/46/526514846.db2.gz ZTTCBVLUOIECJN-UHFFFAOYSA-N 0 1 272.392 3.879 20 0 CHADMN Cc1n[nH]cc1CNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000263862693 526552531 /nfs/dbraw/zinc/55/25/31/526552531.db2.gz WSOXIZHOLZUKGZ-UHFFFAOYSA-N 0 1 296.201 3.804 20 0 CHADMN Cc1n[nH]cc1CN[C@H](c1ccccc1F)C1CCCC1 ZINC000088765422 526556105 /nfs/dbraw/zinc/55/61/05/526556105.db2.gz WLNRVIKDLFLZCI-KRWDZBQOSA-N 0 1 287.382 3.878 20 0 CHADMN O=C(c1cc(-c2ccccc2)[nH]n1)N(C1CCC1)C1CCC1 ZINC000292217291 526590298 /nfs/dbraw/zinc/59/02/98/526590298.db2.gz ABAUEQFAPVWMHU-UHFFFAOYSA-N 0 1 295.386 3.624 20 0 CHADMN c1nc(CN[C@H]2CCC[C@H]2c2ccccc2)oc1C1CC1 ZINC000275553774 526600923 /nfs/dbraw/zinc/60/09/23/526600923.db2.gz CQUVQMLRRYEYOO-HOTGVXAUSA-N 0 1 282.387 3.978 20 0 CHADMN O=C(c1cc(C2CC2)[nH]n1)N1CCCCC[C@H]1c1ccco1 ZINC000076651772 526601486 /nfs/dbraw/zinc/60/14/86/526601486.db2.gz PZNOKCKAQWJXLF-HNNXBMFYSA-N 0 1 299.374 3.638 20 0 CHADMN c1snnc1CN1C[C@@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000275350784 526636043 /nfs/dbraw/zinc/63/60/43/526636043.db2.gz ZBMDJPWUGXCEGP-IKGGRYGDSA-N 0 1 299.443 3.696 20 0 CHADMN Clc1ccc2c(c1)CC[C@H]2NCc1ccccn1 ZINC000067501629 526966268 /nfs/dbraw/zinc/96/62/68/526966268.db2.gz JLRDYMOEVQGCGM-OAHLLOKOSA-N 0 1 258.752 3.512 20 0 CHADMN Clc1ccc2c(c1)[C@@H](NCc1cccnc1)CCCO2 ZINC000151077695 526966336 /nfs/dbraw/zinc/96/63/36/526966336.db2.gz PQJYOPCWWCLRLG-HNNXBMFYSA-N 0 1 288.778 3.739 20 0 CHADMN Clc1cccc(C2CCN(Cc3cncnc3)CC2)c1 ZINC000280284610 526974728 /nfs/dbraw/zinc/97/47/28/526974728.db2.gz NSQOKFAGBOEGNQ-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1nc([C@@H](C)NC2(Cc3ccccc3)CC2)cs1 ZINC000274742822 527031119 /nfs/dbraw/zinc/03/11/19/527031119.db2.gz FNIOUYHYOWHFKS-GFCCVEGCSA-N 0 1 272.417 3.877 20 0 CHADMN Cn1c(CNC(C)(C)c2ccccc2)nc2ccccc21 ZINC000299591009 527060420 /nfs/dbraw/zinc/06/04/20/527060420.db2.gz JPGAJNQGXWUULP-UHFFFAOYSA-N 0 1 279.387 3.598 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)[C@H]2CCC[C@@H](C)C2)[nH]1 ZINC000283600784 527096809 /nfs/dbraw/zinc/09/68/09/527096809.db2.gz YHCYRTBNDIPLAY-YPMHNXCESA-N 0 1 285.391 3.522 20 0 CHADMN Cc1nc2ccc(NC(=O)c3ccn(C(C)C)c3C)cc2[nH]1 ZINC000338668457 527147218 /nfs/dbraw/zinc/14/72/18/527147218.db2.gz HYIUUNUBEMMFHC-UHFFFAOYSA-N 0 1 296.374 3.814 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)[C@H](C)c2ccccc2)[nH]1 ZINC000338501097 527150105 /nfs/dbraw/zinc/15/01/05/527150105.db2.gz KASVBGOSDAZWAT-GFCCVEGCSA-N 0 1 293.370 3.705 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2Cc3ccccc3[C@H]2C)[nH]1 ZINC000338542370 527152537 /nfs/dbraw/zinc/15/25/37/527152537.db2.gz NZMWGQJWDOOUMI-LLVKDONJSA-N 0 1 291.354 3.588 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@H]3CCCCC3(C)C)c2[nH]1 ZINC000338576525 527155002 /nfs/dbraw/zinc/15/50/02/527155002.db2.gz ZVXKKWINZHDZRE-AWEZNQCLSA-N 0 1 285.391 3.570 20 0 CHADMN Cc1ncc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)[nH]1 ZINC000339224860 527227512 /nfs/dbraw/zinc/22/75/12/527227512.db2.gz DVANNURYDPNACI-OAHLLOKOSA-N 0 1 289.423 3.683 20 0 CHADMN Cc1ncc(C(=O)N2CCC[C@H](C)[C@H]2c2ccc(C)cc2)[nH]1 ZINC000339225736 527227962 /nfs/dbraw/zinc/22/79/62/527227962.db2.gz ZYACLKVSXLKBPB-GUYCJALGSA-N 0 1 297.402 3.640 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cncc2ccccc21 ZINC000340316103 527347689 /nfs/dbraw/zinc/34/76/89/527347689.db2.gz MKKBJSRRTLWOHI-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN Cn1ccnc1CN1CCC[C@@H]1CCC1CCCCC1 ZINC000354087430 527431585 /nfs/dbraw/zinc/43/15/85/527431585.db2.gz AISOLCICUOGZER-MRXNPFEDSA-N 0 1 275.440 3.745 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H]1CCCc2ccc(F)cc21 ZINC000280894843 527457894 /nfs/dbraw/zinc/45/78/94/527457894.db2.gz FJJAFTCDIWADLK-LRDDRELGSA-N 0 1 285.366 3.652 20 0 CHADMN C(c1nnc(C2CC2)[nH]1)N1CCC[C@@H]1CC1CCCCC1 ZINC000355030719 527496285 /nfs/dbraw/zinc/49/62/85/527496285.db2.gz LPZLNZLWHSDKMI-OAHLLOKOSA-N 0 1 288.439 3.617 20 0 CHADMN Cc1ncsc1CN(C)[C@H](C)c1ccc(F)cc1 ZINC000066563981 527499732 /nfs/dbraw/zinc/49/97/32/527499732.db2.gz ZQYFAQMOYYZAGH-LLVKDONJSA-N 0 1 264.369 3.784 20 0 CHADMN O=C(Nc1nc(C2CCC2)cs1)c1cccc2nc[nH]c21 ZINC000277886456 527505985 /nfs/dbraw/zinc/50/59/85/527505985.db2.gz FIZRXOBSYINQPC-UHFFFAOYSA-N 0 1 298.371 3.539 20 0 CHADMN Cc1ncsc1CNC(C)(C)c1ccccc1F ZINC000291801656 527510944 /nfs/dbraw/zinc/51/09/44/527510944.db2.gz XFVSCXUPUPCUJF-UHFFFAOYSA-N 0 1 264.369 3.616 20 0 CHADMN Cc1ncsc1CNCc1ccccc1OC(C)C ZINC000071212790 527511142 /nfs/dbraw/zinc/51/11/42/527511142.db2.gz QHPCIQMHXSDMHS-UHFFFAOYSA-N 0 1 276.405 3.529 20 0 CHADMN OCC1([C@H](NCc2ccccc2F)c2ccccc2)CCC1 ZINC000292813718 527528223 /nfs/dbraw/zinc/52/82/23/527528223.db2.gz SFIJFVDVKMYQMF-GOSISDBHSA-N 0 1 299.389 3.819 20 0 CHADMN CC(C)Oc1ccc(CNCc2ccc3cc[nH]c3n2)cc1 ZINC000353243800 528160767 /nfs/dbraw/zinc/16/07/67/528160767.db2.gz SLLMGBIBVIJSPN-UHFFFAOYSA-N 0 1 295.386 3.640 20 0 CHADMN CC(C)CSCCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000352202194 528210959 /nfs/dbraw/zinc/21/09/59/528210959.db2.gz IUCFUUNHIYCRKD-OAHLLOKOSA-N 0 1 281.469 3.716 20 0 CHADMN CCN(CC)[C@H](C(=O)N(C)[C@H](C)C(C)C)c1ccccc1 ZINC000345250568 528261545 /nfs/dbraw/zinc/26/15/45/528261545.db2.gz DGHBRMVLKMVJGN-WBVHZDCISA-N 0 1 290.451 3.572 20 0 CHADMN CCOc1cc(CN(CC)Cc2occc2C)ccc1O ZINC000351965124 528262432 /nfs/dbraw/zinc/26/24/32/528262432.db2.gz QUTSZTUNHRIMQI-UHFFFAOYSA-N 0 1 289.375 3.714 20 0 CHADMN CCOC(=O)c1coc(CN(C)[C@H]2CCc3ccccc32)c1 ZINC000353361976 528323738 /nfs/dbraw/zinc/32/37/38/528323738.db2.gz DQVLNGDIVNWREJ-KRWDZBQOSA-N 0 1 299.370 3.576 20 0 CHADMN CC(C)c1ncc(CNCc2ccc3c(c2)COC3)s1 ZINC000344964218 528350991 /nfs/dbraw/zinc/35/09/91/528350991.db2.gz KNKWNDGTPFNWBY-UHFFFAOYSA-N 0 1 288.416 3.587 20 0 CHADMN CCN(CCC1CC1)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000355036335 528427588 /nfs/dbraw/zinc/42/75/88/528427588.db2.gz OHHNNIXAOJMVKB-UHFFFAOYSA-N 0 1 285.391 3.667 20 0 CHADMN CCOc1ccc(CN2CCC(C(F)F)CC2)cc1OC ZINC000353677361 528431709 /nfs/dbraw/zinc/43/17/09/528431709.db2.gz YHZZXBBAOMCFBF-UHFFFAOYSA-N 0 1 299.361 3.571 20 0 CHADMN CCCCOCCN1CCC[C@H]1CC(=O)c1cccs1 ZINC000344360747 528590246 /nfs/dbraw/zinc/59/02/46/528590246.db2.gz AFZCIEZSCCIKMQ-AWEZNQCLSA-N 0 1 295.448 3.602 20 0 CHADMN CCC(C)(C)c1ccc(CNCc2cnc(C)nc2)cc1 ZINC000345031820 528603512 /nfs/dbraw/zinc/60/35/12/528603512.db2.gz VBUHFXLLHJTNBC-UHFFFAOYSA-N 0 1 283.419 3.762 20 0 CHADMN CCN(Cc1nc2ccc(Cl)cc2n1C)C1CCC1 ZINC000353864936 528888354 /nfs/dbraw/zinc/88/83/54/528888354.db2.gz HERCOZCZZFOSKL-UHFFFAOYSA-N 0 1 277.799 3.601 20 0 CHADMN CC1(C)CCC(SCc2n[nH]c(C3CC3)n2)CC1 ZINC000344521664 528908823 /nfs/dbraw/zinc/90/88/23/528908823.db2.gz PVLGNAUQSCRPBC-UHFFFAOYSA-N 0 1 265.426 3.884 20 0 CHADMN CC[C@@H](NCc1nc2cccnc2s1)c1cccs1 ZINC000347648851 529190312 /nfs/dbraw/zinc/19/03/12/529190312.db2.gz MKAZSBIBSRFYFS-SNVBAGLBSA-N 0 1 289.429 3.994 20 0 CHADMN CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCC(=O)[O-] ZINC000116387992 529257523 /nfs/dbraw/zinc/25/75/23/529257523.db2.gz IOPBLMYLGAKICJ-JKSUJKDBSA-N 0 1 275.392 3.509 20 0 CHADMN CC[C@@H]1CCC[C@H]1NCc1noc(-c2ccccc2C)n1 ZINC000332149628 529322257 /nfs/dbraw/zinc/32/22/57/529322257.db2.gz GXHXOJJNLQTEHB-UKRRQHHQSA-N 0 1 285.391 3.713 20 0 CHADMN Cc1cccc(CN(Cc2ccco2)C[C@@H](O)C(C)C)c1 ZINC000036098648 566995034 /nfs/dbraw/zinc/99/50/34/566995034.db2.gz KAAPBYORLGYFON-GOSISDBHSA-N 0 1 287.403 3.607 20 0 CHADMN Cc1ccc(CNCc2cc(Br)cs2)o1 ZINC000048326914 567892851 /nfs/dbraw/zinc/89/28/51/567892851.db2.gz YMOVTCSXGPRQBE-UHFFFAOYSA-N 0 1 286.194 3.702 20 0 CHADMN COc1ccc(OC)c(CN[C@@H](C)c2ccccc2)c1 ZINC000019878704 567945003 /nfs/dbraw/zinc/94/50/03/567945003.db2.gz ATWCAADIFLERKE-ZDUSSCGKSA-N 0 1 271.360 3.555 20 0 CHADMN CCS[C@@H]1CCCC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000568772542 601954723 /nfs/dbraw/zinc/95/47/23/601954723.db2.gz VZHAUVCTNLMHLD-LLVKDONJSA-N 0 1 299.461 3.554 20 0 CHADMN Cc1oc(C[N@H+](C(C)C)C2CCCCC2)cc1C(=O)[O-] ZINC000738968833 599810852 /nfs/dbraw/zinc/81/08/52/599810852.db2.gz COTBXBSMTGKUFO-UHFFFAOYSA-N 0 1 279.380 3.829 20 0 CHADMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1cc(C)c(C(=O)[O-])o1)C1CC1 ZINC000652410144 599814567 /nfs/dbraw/zinc/81/45/67/599814567.db2.gz FFSDZBCOQNRSKB-CMPLNLGQSA-N 0 1 279.380 3.685 20 0 CHADMN CC(C)c1ccc(C[N@@H+](C)Cc2cc(C(=O)[O-])co2)cc1 ZINC000736513494 599845248 /nfs/dbraw/zinc/84/52/48/599845248.db2.gz FBROBRQFZHBGCM-UHFFFAOYSA-N 0 1 287.359 3.733 20 0 CHADMN CC[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccc(Cl)cc1 ZINC000737106142 599849402 /nfs/dbraw/zinc/84/94/02/599849402.db2.gz NLOFTFNZSSUQTN-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])co2)cc1C ZINC000738583678 599849481 /nfs/dbraw/zinc/84/94/81/599849481.db2.gz PZTUWANVPSRFIX-KRWDZBQOSA-N 0 1 299.370 3.932 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(F)cc1C(=O)[O-] ZINC000383605556 600082483 /nfs/dbraw/zinc/08/24/83/600082483.db2.gz CMHRVHHTUZWPSJ-LBPRGKRZSA-N 0 1 287.334 3.717 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000003750394 600128062 /nfs/dbraw/zinc/12/80/62/600128062.db2.gz NXJIPAKUIDOUTK-OCCSQVGLSA-N 0 1 281.783 3.588 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCCc2sccc2C1 ZINC000652410916 600137630 /nfs/dbraw/zinc/13/76/30/600137630.db2.gz JAWOQDNNMNVBFA-JTQLQIEISA-N 0 1 291.372 3.549 20 0 CHADMN CC(C)(C)c1ccc([C@H]2CCC[N@H+]2CCCC(=O)[O-])cc1 ZINC000116358828 600224897 /nfs/dbraw/zinc/22/48/97/600224897.db2.gz ICVBMQAHHNMZOE-MRXNPFEDSA-N 0 1 289.419 3.986 20 0 CHADMN CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])oc1C ZINC000736879695 600432482 /nfs/dbraw/zinc/43/24/82/600432482.db2.gz GPEPJAFRFFODFG-BXUZGUMPSA-N 0 1 279.380 3.687 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000566359194 600449107 /nfs/dbraw/zinc/44/91/07/600449107.db2.gz RBOOULWNTJMKPO-CXAGYDPISA-N 0 1 289.375 3.861 20 0 CHADMN C[N@@H+](C/C=C/c1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC000037918809 600504210 /nfs/dbraw/zinc/50/42/10/600504210.db2.gz FDESMKXXDDPITC-VMPITWQZSA-N 0 1 281.355 3.530 20 0 CHADMN C[C@]1(c2ccccc2)CCC[N@@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000573498739 600643378 /nfs/dbraw/zinc/64/33/78/600643378.db2.gz MAGOSZLGSXHHNB-SFHVURJKSA-N 0 1 299.370 3.532 20 0 CHADMN O=C([O-])CCC[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000608502497 600840182 /nfs/dbraw/zinc/84/01/82/600840182.db2.gz SGFYDZNBPUQKTJ-SFHVURJKSA-N 0 1 295.382 3.651 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])[C@H](c2ccco2)C1 ZINC000569111475 600861869 /nfs/dbraw/zinc/86/18/69/600861869.db2.gz UCUGCMMIPGMREH-YPMHNXCESA-N 0 1 289.331 3.544 20 0 CHADMN Cc1cccc([C@H]2CCC[N@H+]2Cc2ccoc2C(=O)[O-])c1C ZINC000514943739 600965487 /nfs/dbraw/zinc/96/54/87/600965487.db2.gz KZTJKXPYARAHCD-MRXNPFEDSA-N 0 1 299.370 3.932 20 0 CHADMN Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cc(C(=O)[O-])co2)o1 ZINC000738582998 600969024 /nfs/dbraw/zinc/96/90/24/600969024.db2.gz MLXZKZVCDORNJA-CQSZACIVSA-N 0 1 289.331 3.606 20 0 CHADMN Cc1ccc([C@H]2CCCC[N@H+]2Cc2cc(C(=O)[O-])co2)o1 ZINC000738582998 600969026 /nfs/dbraw/zinc/96/90/26/600969026.db2.gz MLXZKZVCDORNJA-CQSZACIVSA-N 0 1 289.331 3.606 20 0 CHADMN CC[C@]1(C)CCC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000578660749 601036445 /nfs/dbraw/zinc/03/64/45/601036445.db2.gz TVRBFJYNFWJPMQ-IAQYHMDHSA-N 0 1 265.353 3.551 20 0 CHADMN C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccccc2)[C@H]1c1ccccc1 ZINC000828410722 601045178 /nfs/dbraw/zinc/04/51/78/601045178.db2.gz CAPPDWIWKJUMTP-KBRIMQKVSA-N 0 1 281.355 3.505 20 0 CHADMN C/C(=C/C[N@H+]1CCCC[C@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000825741151 601171983 /nfs/dbraw/zinc/17/19/83/601171983.db2.gz IXWYBOXVNFBWME-DNXIFWLFSA-N 0 1 273.376 3.553 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000568060447 601413084 /nfs/dbraw/zinc/41/30/84/601413084.db2.gz DCFYWZVIPFXFPB-JTQLQIEISA-N 0 1 293.388 3.795 20 0 CHADMN C[C@H]1CCC[C@H]([N@@H+](C)Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000235671705 601618605 /nfs/dbraw/zinc/61/86/05/601618605.db2.gz KCYRWXPDIOAHHD-AAEUAGOBSA-N 0 1 279.355 3.534 20 0 CHADMN C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000300187871 601618797 /nfs/dbraw/zinc/61/87/97/601618797.db2.gz KCYRWXPDIOAHHD-YPMHNXCESA-N 0 1 279.355 3.534 20 0 CHADMN Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccsc2C(=O)[O-])cc1 ZINC000579603293 601807791 /nfs/dbraw/zinc/80/77/91/601807791.db2.gz OXEFLNJMEIPUDG-GFCCVEGCSA-N 0 1 289.400 3.948 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](C2CC2)C2CCCCC2)s1 ZINC000652401237 601940429 /nfs/dbraw/zinc/94/04/29/601940429.db2.gz SYWVQCSNPZKGQZ-UHFFFAOYSA-N 0 1 279.405 3.743 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2CCCC2)s1 ZINC000109602128 601943763 /nfs/dbraw/zinc/94/37/63/601943763.db2.gz SOVSBBJLNBVVGV-CYBMUJFWSA-N 0 1 279.405 3.601 20 0 CHADMN Cc1ccccc1[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC000832976851 601945837 /nfs/dbraw/zinc/94/58/37/601945837.db2.gz GUNQHFLFTMNCHT-LBPRGKRZSA-N 0 1 289.400 3.948 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)s1 ZINC000833312565 601963025 /nfs/dbraw/zinc/96/30/25/601963025.db2.gz FFLPOXSXVPAWBU-CYBMUJFWSA-N 0 1 291.347 3.532 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)s1 ZINC000833312565 601963029 /nfs/dbraw/zinc/96/30/29/601963029.db2.gz FFLPOXSXVPAWBU-CYBMUJFWSA-N 0 1 291.347 3.532 20 0 CHADMN C[N@@H+](Cc1cc(-c2ccccc2)cs1)C(C)(C)C(=O)[O-] ZINC000833694389 604627903 /nfs/dbraw/zinc/62/79/03/604627903.db2.gz JBHUGBCDGOZMFC-UHFFFAOYSA-N 0 1 289.400 3.710 20 0 CHADMN O=C([O-])C[N@H+](Cc1cc2ccccc2o1)Cc1ccccc1 ZINC000692408777 604669635 /nfs/dbraw/zinc/66/96/35/604669635.db2.gz FRWGZUYPJKMBJT-UHFFFAOYSA-N 0 1 295.338 3.520 20 0 CHADMN O=C([O-])C[N@@H+](Cc1cc2ccccc2o1)Cc1ccccc1 ZINC000692408777 604669637 /nfs/dbraw/zinc/66/96/37/604669637.db2.gz FRWGZUYPJKMBJT-UHFFFAOYSA-N 0 1 295.338 3.520 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000833630668 604762465 /nfs/dbraw/zinc/76/24/65/604762465.db2.gz WIJITLQWUMJSBE-SJKOYZFVSA-N 0 1 299.345 3.717 20 0 CHADMN O=C([O-])[C@H](CNc1cc[nH+]c2ccsc21)c1ccccc1 ZINC000833162942 604803597 /nfs/dbraw/zinc/80/35/97/604803597.db2.gz AXCPUUWITSBJFW-GFCCVEGCSA-N 0 1 298.367 3.577 20 0 CHADMN C[C@H]1CC[C@@]2(CC[N@@H+](Cc3ccc(C(=O)[O-])c(F)c3)C2)C1 ZINC000570827275 605139879 /nfs/dbraw/zinc/13/98/79/605139879.db2.gz OMTPXDINFBRUBG-YVEFUNNKSA-N 0 1 291.366 3.536 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])s2)CC1 ZINC000079349283 949001863 /nfs/dbraw/zinc/00/18/63/949001863.db2.gz PEQKUAUATKSDSJ-GFCCVEGCSA-N 0 1 281.421 3.704 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CCCC(=O)[O-])C(C)C ZINC000086748643 949062101 /nfs/dbraw/zinc/06/21/01/949062101.db2.gz GDSRLJPRISDPAO-HNNXBMFYSA-N 0 1 263.381 3.713 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000086783904 949065026 /nfs/dbraw/zinc/06/50/26/949065026.db2.gz KHVNPKWQOJXPRD-YJBOKZPZSA-N 0 1 289.419 3.585 20 0 CHADMN C[C@H](Cc1cccs1)[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC000093268801 949168600 /nfs/dbraw/zinc/16/86/00/949168600.db2.gz DVRFZZAKXOKTMS-SNVBAGLBSA-N 0 1 295.429 3.571 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CCCc2ccc(C)cc2)C1 ZINC001589605811 949259293 /nfs/dbraw/zinc/25/92/93/949259293.db2.gz WPFYHCXTOIOHHX-SFHVURJKSA-N 0 1 289.419 3.504 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000164691513 949416525 /nfs/dbraw/zinc/41/65/25/949416525.db2.gz HXPPUAVUJRYMMC-HNNXBMFYSA-N 0 1 299.773 3.556 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000165675331 949436578 /nfs/dbraw/zinc/43/65/78/949436578.db2.gz JYXUSPBMJCNTAO-OAHLLOKOSA-N 0 1 299.773 3.556 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001589634881 949601664 /nfs/dbraw/zinc/60/16/64/949601664.db2.gz UZTQVVHRMGJNKX-MGPQQGTHSA-N 0 1 255.402 3.530 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001589634880 949601925 /nfs/dbraw/zinc/60/19/25/949601925.db2.gz UZTQVVHRMGJNKX-BFHYXJOUSA-N 0 1 255.402 3.530 20 0 CHADMN CCC[C@H](Cc1ccccc1)[N@@H+](CCC)CCC(=O)[O-] ZINC000237029387 949948463 /nfs/dbraw/zinc/94/84/63/949948463.db2.gz XYESQSOVDPVPCA-MRXNPFEDSA-N 0 1 277.408 3.585 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000251222157 950012715 /nfs/dbraw/zinc/01/27/15/950012715.db2.gz JGJKGCXMTLIFIW-FUHWJXTLSA-N 0 1 287.403 3.641 20 0 CHADMN CCn1cc(CN(CC2CCC2)[C@H](C)c2ccccc2)nn1 ZINC000884002824 1125457378 /nfs/dbraw/zinc/45/73/78/1125457378.db2.gz DTEMZXJCYRVVQU-OAHLLOKOSA-N 0 1 298.434 3.661 20 0 CHADMN CC[N@@H+](C[C@H](C)CSc1ccccc1C)[C@H](C)C(=O)[O-] ZINC001589719370 950402407 /nfs/dbraw/zinc/40/24/07/950402407.db2.gz FFMQSZLEGVFDFX-GXTWGEPZSA-N 0 1 295.448 3.518 20 0 CHADMN O=C([O-])[C@H]1C[N@H+]([C@@H]2C=CCCCCC2)Cc2ccccc21 ZINC000314082086 950808940 /nfs/dbraw/zinc/80/89/40/950808940.db2.gz XRBUQXMRJHPLAW-WBVHZDCISA-N 0 1 285.387 3.559 20 0 CHADMN C[C@H](C[N@@H+](C)C1(C(=O)[O-])CCCCC1)C1CCCCC1 ZINC000380760670 971715645 /nfs/dbraw/zinc/71/56/45/971715645.db2.gz ODVKVJHSCQBYIA-CQSZACIVSA-N 0 1 281.440 3.922 20 0 CHADMN C/C=C/C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000629376620 953821819 /nfs/dbraw/zinc/82/18/19/953821819.db2.gz YMNFDBWRIOOYMO-JDGPPOGSSA-N 0 1 279.405 3.625 20 0 CHADMN Cc1cccc(CCC[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000652495409 954089430 /nfs/dbraw/zinc/08/94/30/954089430.db2.gz VROQCTBNUDYCQX-KRWDZBQOSA-N 0 1 289.419 3.504 20 0 CHADMN CC(C)[N@@H+](CC(=O)[O-])Cc1cccc(C2CCCC2)c1 ZINC000665331342 954544212 /nfs/dbraw/zinc/54/42/12/954544212.db2.gz QYWGOBVWTHYGAP-UHFFFAOYSA-N 0 1 275.392 3.639 20 0 CHADMN C[C@@]1(C(=O)[O-])CC[N@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000388224552 972161442 /nfs/dbraw/zinc/16/14/42/972161442.db2.gz IJDVRJGEXDLQMC-LJQANCHMSA-N 0 1 295.382 3.573 20 0 CHADMN Cc1ccc([C@@H](C)C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000901552260 956338511 /nfs/dbraw/zinc/33/85/11/956338511.db2.gz MUFBVIJGJQULQK-HOTGVXAUSA-N 0 1 289.419 3.675 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC000037596046 957312368 /nfs/dbraw/zinc/31/23/68/957312368.db2.gz ZRJQYJDNGNWKJQ-UHFFFAOYSA-N 0 1 290.190 3.679 20 0 CHADMN Cc1cc(C[N@@H+](C)Cc2ccc(Cl)s2)oc1C(=O)[O-] ZINC000048985034 957471497 /nfs/dbraw/zinc/47/14/97/957471497.db2.gz YCKRRFZKQTUFGS-UHFFFAOYSA-N 0 1 299.779 3.633 20 0 CHADMN Cc1cc(C[N@H+](C)Cc2ccc(Cl)s2)oc1C(=O)[O-] ZINC000048985034 957471501 /nfs/dbraw/zinc/47/15/01/957471501.db2.gz YCKRRFZKQTUFGS-UHFFFAOYSA-N 0 1 299.779 3.633 20 0 CHADMN Cc1cc(C)c(/C=C\C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c(C)c1 ZINC001594292481 957835957 /nfs/dbraw/zinc/83/59/57/957835957.db2.gz MBFQMOYXHUWLBQ-BZOVTKSESA-N 0 1 287.403 3.563 20 0 CHADMN O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000086775344 957986820 /nfs/dbraw/zinc/98/68/20/957986820.db2.gz NAJJDAAYMLFHKJ-KRWDZBQOSA-N 0 1 283.371 3.669 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000122753807 958485682 /nfs/dbraw/zinc/48/56/82/958485682.db2.gz ULGVMWSSEBVBGD-AWEZNQCLSA-N 0 1 293.432 3.909 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001594382835 958647817 /nfs/dbraw/zinc/64/78/17/958647817.db2.gz JPUPTJLPGVTQFH-CJNGLKHVSA-N 0 1 297.398 3.691 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000131703494 958754719 /nfs/dbraw/zinc/75/47/19/958754719.db2.gz GUGPVZHQUVXQHC-LBPRGKRZSA-N 0 1 297.345 3.701 20 0 CHADMN CC[C@H](C)C[N@@H+](CC)Cc1cc(C(=O)[O-])sc1C ZINC000155991322 959045413 /nfs/dbraw/zinc/04/54/13/959045413.db2.gz OKTUHENBBPXXEW-JTQLQIEISA-N 0 1 269.410 3.623 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000181545007 959438390 /nfs/dbraw/zinc/43/83/90/959438390.db2.gz LEJKHRMSXDMION-AWEZNQCLSA-N 0 1 281.783 3.732 20 0 CHADMN Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C(=O)[O-])o2)c(C)o1 ZINC000235200861 960397349 /nfs/dbraw/zinc/39/73/49/960397349.db2.gz COASHDALMSCAOR-VHSXEESVSA-N 0 1 277.320 3.599 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC001603286824 972526218 /nfs/dbraw/zinc/52/62/18/972526218.db2.gz MCUDFFGUHLCNFB-QWRGUYRKSA-N 0 1 299.773 3.727 20 0 CHADMN COC(C)(C)[C@H]1CCCN1Cc1cccc(Cl)c1F ZINC001137961567 1131442318 /nfs/dbraw/zinc/44/23/18/1131442318.db2.gz RVNYMNHPUCLIEQ-CYBMUJFWSA-N 0 1 285.790 3.869 20 0 CHADMN Cc1ccc(CCC[N@H+](C)Cc2ccc(Cl)nc2)o1 ZINC001207952212 1117768432 /nfs/dbraw/zinc/76/84/32/1117768432.db2.gz NJXVMZVCMATYDB-UHFFFAOYSA-N 0 1 278.783 3.701 20 0 CHADMN OCC[C@H]1CCCCCN1Cc1cccc(Cl)c1F ZINC000671247156 1117785541 /nfs/dbraw/zinc/78/55/41/1117785541.db2.gz XJIIEKVZUOFGBY-CYBMUJFWSA-N 0 1 285.790 3.606 20 0 CHADMN CC[C@@H]1CCN1Cc1cc(C)c(C)cc1OC(F)F ZINC000430200235 1117855202 /nfs/dbraw/zinc/85/52/02/1117855202.db2.gz UCOCSHOMMHXRSS-CYBMUJFWSA-N 0 1 269.335 3.889 20 0 CHADMN CN(CCC(C)(C)c1ccccc1)Cc1nccs1 ZINC001208669254 1117905018 /nfs/dbraw/zinc/90/50/18/1117905018.db2.gz KENYQPOUBIVXLQ-UHFFFAOYSA-N 0 1 274.433 3.943 20 0 CHADMN CO[C@H](C)c1noc(CN[C@@H](CCC(C)C)C(C)(C)C)n1 ZINC000179909633 1117916163 /nfs/dbraw/zinc/91/61/63/1117916163.db2.gz XWTBUMBQFMOXPN-OLZOCXBDSA-N 0 1 297.443 3.718 20 0 CHADMN C[C@@H](c1ccncc1)N(C)Cc1ccc(Cl)cc1 ZINC000111193053 1125481240 /nfs/dbraw/zinc/48/12/40/1125481240.db2.gz YCGYBPHVKWSMFX-LBPRGKRZSA-N 0 1 260.768 3.928 20 0 CHADMN C[C@@H]([NH2+][C@H]1CC=CCC1)c1cc(Br)ccc1[O-] ZINC000186056705 1117979234 /nfs/dbraw/zinc/97/92/34/1117979234.db2.gz UQHUNWQPNNHGAC-PWSUYJOCSA-N 0 1 296.208 3.914 20 0 CHADMN C[C@@H](NCc1ccns1)c1cccc(C2CC2)c1 ZINC000624046669 1117975763 /nfs/dbraw/zinc/97/57/63/1117975763.db2.gz GUOYQHLFKAYBTG-LLVKDONJSA-N 0 1 258.390 3.871 20 0 CHADMN CC(C)c1ccccc1C[N@H+]1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001588972905 962670248 /nfs/dbraw/zinc/67/02/48/962670248.db2.gz CVUWMXRYNXOZNM-CZUORRHYSA-N 0 1 275.392 3.638 20 0 CHADMN C[C@@H]([NH2+][C@@H]1CC=CCC1)c1cc(Cl)ccc1[O-] ZINC000186056960 1117979389 /nfs/dbraw/zinc/97/93/89/1117979389.db2.gz JHXIDECXTCITMV-ZYHUDNBSSA-N 0 1 251.757 3.805 20 0 CHADMN CCc1cccc(CN[C@@H]2c3ccccc3O[C@H]2C)c1 ZINC001202647885 1125484507 /nfs/dbraw/zinc/48/45/07/1125484507.db2.gz YGVQOQJRQVAQHT-UGSOOPFHSA-N 0 1 267.372 3.861 20 0 CHADMN CC(C)(C)CCC[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000312162983 963539739 /nfs/dbraw/zinc/53/97/39/963539739.db2.gz UIKBZZULKISZGE-UHFFFAOYSA-N 0 1 275.392 3.569 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@@H+]([C@@H]1C=CCCCCC1)C2 ZINC000312240875 963546521 /nfs/dbraw/zinc/54/65/21/963546521.db2.gz PVRLZONCUWBQSX-MRXNPFEDSA-N 0 1 271.360 3.589 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC3(C2)CCCCC3)c(F)c1 ZINC000314138013 963716063 /nfs/dbraw/zinc/71/60/63/963716063.db2.gz MMTIZVDAASBZRK-UHFFFAOYSA-N 0 1 291.366 3.680 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000315873603 963944692 /nfs/dbraw/zinc/94/46/92/963944692.db2.gz AOXDTZASGBKNLK-WBMJQRKESA-N 0 1 299.370 3.733 20 0 CHADMN C[C@@H](c1ccccc1F)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000315954746 963958084 /nfs/dbraw/zinc/95/80/84/963958084.db2.gz IRVBPAJBZPEXKH-LRDDRELGSA-N 0 1 299.345 3.571 20 0 CHADMN Cc1ccc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])cc1C ZINC000050925833 967534441 /nfs/dbraw/zinc/53/44/41/967534441.db2.gz JTKKUWYMWHOIHN-INIZCTEOSA-N 0 1 275.392 3.523 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000086784443 967575423 /nfs/dbraw/zinc/57/54/23/967575423.db2.gz ZMCWJQDQIKSMBD-MEDUHNTESA-N 0 1 297.345 3.603 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@H](C)c2ccc(F)cc2F)C1 ZINC000251340567 967794198 /nfs/dbraw/zinc/79/41/98/967794198.db2.gz ZMCWJQDQIKSMBD-BDJLRTHQSA-N 0 1 297.345 3.603 20 0 CHADMN CCc1cccc(Cl)c1C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000568052488 968435692 /nfs/dbraw/zinc/43/56/92/968435692.db2.gz QUBGGMWVXXROHL-LBPRGKRZSA-N 0 1 295.810 3.589 20 0 CHADMN CC(C)(C)C[N@H+](CC(=O)[O-])C[C@@H]1CCCCC1(C)C ZINC000662223299 968756368 /nfs/dbraw/zinc/75/63/68/968756368.db2.gz KEBGEWPJTVJPES-ZDUSSCGKSA-N 0 1 269.429 3.636 20 0 CHADMN C[C@H]1CCCC[C@H]1C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000394816195 972760924 /nfs/dbraw/zinc/76/09/24/972760924.db2.gz ASGJGHMCWCDPNA-KBPBESRZSA-N 0 1 287.403 3.569 20 0 CHADMN C[N@@H+](C[C@H]1CC2CCC1CC2)[C@@H](C(=O)[O-])c1ccccc1 ZINC000399972884 973244964 /nfs/dbraw/zinc/24/49/64/973244964.db2.gz FSLFJINSWBDSGB-GMGZGELVSA-N 0 1 287.403 3.570 20 0 CHADMN C[N@@H+](C[C@@H]1CC2CCC1CC2)[C@@H](C(=O)[O-])c1ccccc1 ZINC000399972887 973245734 /nfs/dbraw/zinc/24/57/34/973245734.db2.gz FSLFJINSWBDSGB-YQEWQEHLSA-N 0 1 287.403 3.570 20 0 CHADMN CC[C@@H]1CCCC[C@H]1C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000401431945 973365003 /nfs/dbraw/zinc/36/50/03/973365003.db2.gz IJWVCQOURRUXIX-ILXRZTDVSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)(CC[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000405962019 973913590 /nfs/dbraw/zinc/91/35/90/973913590.db2.gz PCFZGMZISPSUDK-QEJZJMRPSA-N 0 1 279.424 3.530 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])CC12CCCCC2 ZINC000515489390 974299472 /nfs/dbraw/zinc/29/94/72/974299472.db2.gz DRIOVYVNRVSZRQ-ZDUSSCGKSA-N 0 1 291.391 3.770 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCC[C@H]2C2CCCCC2)cs1 ZINC000516656304 974308672 /nfs/dbraw/zinc/30/86/72/974308672.db2.gz BNJUGYFYAZHZCO-AWEZNQCLSA-N 0 1 293.432 3.991 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000519600041 974330308 /nfs/dbraw/zinc/33/03/08/974330308.db2.gz FCWGIEQAHZPEGG-GJZGRUSLSA-N 0 1 281.440 3.778 20 0 CHADMN O=C([O-])C[N@@H+](CCC1CCCC1)Cc1ccc(Cl)cc1 ZINC000519762175 974335337 /nfs/dbraw/zinc/33/53/37/974335337.db2.gz UVRLBZPNLPNFIG-UHFFFAOYSA-N 0 1 295.810 3.807 20 0 CHADMN CCC[N@@H+](CC)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000565103717 974569565 /nfs/dbraw/zinc/56/95/65/974569565.db2.gz OUEOSUKRCWHZOL-GFCCVEGCSA-N 0 1 290.190 3.851 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+]([C@@H](CC(C)C)C(=O)[O-])C1 ZINC000566364102 974610377 /nfs/dbraw/zinc/61/03/77/974610377.db2.gz YNLWYQPFWWFEOB-INMHGKMJSA-N 0 1 289.419 3.672 20 0 CHADMN C[C@@H]1CC(C)(C)C[N@H+]1[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000566744188 974621180 /nfs/dbraw/zinc/62/11/80/974621180.db2.gz ZPBGJAJYCSXTIV-ZWNOBZJWSA-N 0 1 281.783 3.586 20 0 CHADMN Cc1cc([C@H](C)[N@@H+](C)Cc2cccc(F)c2)oc1C(=O)[O-] ZINC000567117133 974627484 /nfs/dbraw/zinc/62/74/84/974627484.db2.gz YMFCDTVAOJOPRP-NSHDSACASA-N 0 1 291.322 3.618 20 0 CHADMN CC[N@@H+](Cc1ccccc1C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000568060634 974655578 /nfs/dbraw/zinc/65/55/78/974655578.db2.gz IXKUAVYZQAIMIJ-ZDUSSCGKSA-N 0 1 287.359 3.869 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000568281624 974663625 /nfs/dbraw/zinc/66/36/25/974663625.db2.gz UPJIVFGGTNIGAO-QWHCGFSZSA-N 0 1 291.391 3.551 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)[C@@H]2CCCC[C@@H]12 ZINC000568478757 974671187 /nfs/dbraw/zinc/67/11/87/974671187.db2.gz JGPKDPFWCDKJFB-XOKHGSTOSA-N 0 1 287.403 3.785 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000570050429 974704059 /nfs/dbraw/zinc/70/40/59/974704059.db2.gz DIWQJJLDICJQKE-HNNXBMFYSA-N 0 1 281.421 3.849 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+]1CCC[C@H](CC)CC1 ZINC000570051143 974704295 /nfs/dbraw/zinc/70/42/95/974704295.db2.gz KWCBMRLXHMEFFH-LBPRGKRZSA-N 0 1 279.380 3.552 20 0 CHADMN Cc1ccc([C@@H]2CCCC[N@H+]2CC2(CC(=O)[O-])CC2)cc1 ZINC000570100645 974705108 /nfs/dbraw/zinc/70/51/08/974705108.db2.gz UKJSKEDMGJKFRS-INIZCTEOSA-N 0 1 287.403 3.777 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000570219879 974707001 /nfs/dbraw/zinc/70/70/01/974707001.db2.gz PTTXVWCKLLDDIN-DYEKYZERSA-N 0 1 291.391 3.693 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)CC1(C(=O)[O-])CC1 ZINC000571691991 974734247 /nfs/dbraw/zinc/73/42/47/974734247.db2.gz WGTILWGDJMVDIY-NWDGAFQWSA-N 0 1 295.810 3.629 20 0 CHADMN CC(C)C[C@@H]1CCCCC[N@H+]1Cc1nc(C(=O)[O-])cs1 ZINC000572047943 974740726 /nfs/dbraw/zinc/74/07/26/974740726.db2.gz DRBNWJZBRGUYME-LBPRGKRZSA-N 0 1 296.436 3.632 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@@H](C)c2ccc(C(=O)[O-])o2)cc1C ZINC000573507231 974767138 /nfs/dbraw/zinc/76/71/38/974767138.db2.gz UBKBVZWGDDYYKR-ZDUSSCGKSA-N 0 1 287.359 3.788 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000573864505 974772243 /nfs/dbraw/zinc/77/22/43/974772243.db2.gz MTHUOVDORHTWSB-VGPLMAKISA-N 0 1 293.794 3.801 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000574165206 974777984 /nfs/dbraw/zinc/77/79/84/974777984.db2.gz XLVQFMSJOQUZJH-LLVKDONJSA-N 0 1 281.783 3.660 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000579720370 974881176 /nfs/dbraw/zinc/88/11/76/974881176.db2.gz ODQRBIXRMHGUBZ-GFCCVEGCSA-N 0 1 291.372 3.685 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)o1 ZINC000583757895 974945512 /nfs/dbraw/zinc/94/55/12/974945512.db2.gz LHBUYNRRLUOCRX-INIZCTEOSA-N 0 1 297.354 3.630 20 0 CHADMN CCC[C@@H](C)CCC[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000629364007 975084014 /nfs/dbraw/zinc/08/40/14/975084014.db2.gz JRYXMGFHJMJHAM-CQSZACIVSA-N 0 1 269.429 3.922 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000629376696 975090782 /nfs/dbraw/zinc/09/07/82/975090782.db2.gz ZTQMIEFMWWQUQB-UGQNZJGRSA-N 0 1 291.366 3.630 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000629484710 975094000 /nfs/dbraw/zinc/09/40/00/975094000.db2.gz MHJNCRZPQZKPNB-UKRRQHHQSA-N 0 1 295.810 3.629 20 0 CHADMN COc1cc(Cl)c(CN(C)C(C)C)cc1Cl ZINC000259950531 1118138769 /nfs/dbraw/zinc/13/87/69/1118138769.db2.gz GQWRKDOTXDLYKB-UHFFFAOYSA-N 0 1 262.180 3.842 20 0 CHADMN C[C@@H]1CCC[C@@H](CC[N@H+]2CCCC[C@@H]2CC(=O)[O-])C1 ZINC000650506609 975448929 /nfs/dbraw/zinc/44/89/29/975448929.db2.gz SBYPSDHZBJXWQH-QLFBSQMISA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000652415478 975526280 /nfs/dbraw/zinc/52/62/80/975526280.db2.gz WKARAHJOFFMOAO-ZDUSSCGKSA-N 0 1 279.405 3.601 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000652451503 975536342 /nfs/dbraw/zinc/53/63/42/975536342.db2.gz YYZSYHWOZLUVEF-RBSFLKMASA-N 0 1 281.440 3.778 20 0 CHADMN O=C([O-])C[N@H+](Cc1sccc1Cl)C1CCCCC1 ZINC000652481820 975549840 /nfs/dbraw/zinc/54/98/40/975549840.db2.gz BREYHZDYRXFPNT-UHFFFAOYSA-N 0 1 287.812 3.621 20 0 CHADMN O=C([O-])C[N@@H+](Cc1sccc1Cl)C1CCCCC1 ZINC000652481820 975549852 /nfs/dbraw/zinc/54/98/52/975549852.db2.gz BREYHZDYRXFPNT-UHFFFAOYSA-N 0 1 287.812 3.621 20 0 CHADMN CCC(C)(C)CC[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000656766071 975699658 /nfs/dbraw/zinc/69/96/58/975699658.db2.gz PXGFVUWILCMPHE-SOUVJXGZSA-N 0 1 281.440 3.778 20 0 CHADMN C[C@H]1CCC[C@@H](CC[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000659790674 975877643 /nfs/dbraw/zinc/87/76/43/975877643.db2.gz KFMKQGPZOJUGQT-KBPBESRZSA-N 0 1 287.403 3.917 20 0 CHADMN CC(C)C[C@@H](C)C[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000659790598 975878433 /nfs/dbraw/zinc/87/84/33/975878433.db2.gz UYPXOBNULNFMFP-OAHLLOKOSA-N 0 1 277.408 3.646 20 0 CHADMN Cc1cc([C@@H](C)[N@H+]2CCC[C@@H](C3CCC3)C2)oc1C(=O)[O-] ZINC000659802282 975891926 /nfs/dbraw/zinc/89/19/26/975891926.db2.gz QFYVCTJPNATORL-TZMCWYRMSA-N 0 1 291.391 3.859 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1cccc(C(C)C)c1 ZINC000663315087 975942612 /nfs/dbraw/zinc/94/26/12/975942612.db2.gz QKSUEBVUIWVVRU-UHFFFAOYSA-N 0 1 277.408 3.743 20 0 CHADMN C[N@@H+](C[C@@H]1CC1(C)C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000663318638 975943755 /nfs/dbraw/zinc/94/37/55/975943755.db2.gz WZVNOAUDBVSVCE-TVQRCGJNSA-N 0 1 299.773 3.583 20 0 CHADMN CC(C)c1ccc([C@@H]2CCC[N@H+]2CC2(C(=O)[O-])CC2)cc1 ZINC001591949095 976505802 /nfs/dbraw/zinc/50/58/02/976505802.db2.gz RDVJOFPCSLOECQ-INIZCTEOSA-N 0 1 287.403 3.812 20 0 CHADMN CCCCC[N@@H+](Cc1cc(C(=O)[O-])cs1)C(C)C ZINC000711385742 977539286 /nfs/dbraw/zinc/53/92/86/977539286.db2.gz QXUNAPHRWFXMKQ-UHFFFAOYSA-N 0 1 269.410 3.847 20 0 CHADMN Cc1cc([C@H](C)NCC2(C(F)(F)F)CCCC2)no1 ZINC000624272671 1118186589 /nfs/dbraw/zinc/18/65/89/1118186589.db2.gz OBYYAOAQXZDEBT-JTQLQIEISA-N 0 1 276.302 3.756 20 0 CHADMN Cc1ccsc1CNCc1c(Cl)n[nH]c1C1CC1 ZINC000921598803 1118204750 /nfs/dbraw/zinc/20/47/50/1118204750.db2.gz OVOWZFLADICKAU-UHFFFAOYSA-N 0 1 281.812 3.600 20 0 CHADMN Clc1ccc([C@@H]2CN(CCC3CC3)CCO2)cc1 ZINC000409445547 1118243374 /nfs/dbraw/zinc/24/33/74/1118243374.db2.gz PDYPLGDVCYZBTD-HNNXBMFYSA-N 0 1 265.784 3.513 20 0 CHADMN C[C@H](C[N@@H+](C)C[C@@H]1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC001592583125 978495571 /nfs/dbraw/zinc/49/55/71/978495571.db2.gz LOOFBFMUIQSRJD-HYVNUMGLSA-N 0 1 289.419 3.613 20 0 CHADMN C[C@H](C[N@@H+](C)C[C@H]1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC001592583123 978495867 /nfs/dbraw/zinc/49/58/67/978495867.db2.gz LOOFBFMUIQSRJD-DJIMGWMZSA-N 0 1 289.419 3.613 20 0 CHADMN C[C@H](C[N@@H+](C)C[C@@H]1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC001592583130 978496084 /nfs/dbraw/zinc/49/60/84/978496084.db2.gz LOOFBFMUIQSRJD-PVAVHDDUSA-N 0 1 289.419 3.613 20 0 CHADMN CCc1n[nH]c(SCc2csc(C3CCCC3)n2)n1 ZINC000064032297 1118323156 /nfs/dbraw/zinc/32/31/56/1118323156.db2.gz LWUZVWUAHPZCLM-UHFFFAOYSA-N 0 1 294.449 3.774 20 0 CHADMN C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833546006 979202635 /nfs/dbraw/zinc/20/26/35/979202635.db2.gz CRXVCXJILFXIOY-NSHDSACASA-N 0 1 298.342 3.652 20 0 CHADMN C[N@@H+](CCC1CCCCC1)Cc1ccccc1CC(=O)[O-] ZINC000846243511 979419901 /nfs/dbraw/zinc/41/99/01/979419901.db2.gz KKOFQIBAYIEICC-UHFFFAOYSA-N 0 1 289.419 3.716 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000859810451 979640086 /nfs/dbraw/zinc/64/00/86/979640086.db2.gz OJVNONDDESPMTN-HOCLYGCPSA-N 0 1 267.413 3.556 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000859815613 979646246 /nfs/dbraw/zinc/64/62/46/979646246.db2.gz QXXLHEQWTRZZES-BQFCYCMXSA-N 0 1 293.451 3.946 20 0 CHADMN C[C@H]([N@@H+](C)Cc1c2ccccc2[nH]c1C(=O)[O-])C(C)(C)C ZINC001592950631 980029746 /nfs/dbraw/zinc/02/97/46/980029746.db2.gz KWNBLEGQKOFBBR-NSHDSACASA-N 0 1 288.391 3.733 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCCC2)cc1C(=O)[O-] ZINC000872157810 980040360 /nfs/dbraw/zinc/04/03/60/980040360.db2.gz URQUCKQYFVFRDY-QGZVFWFLSA-N 0 1 287.403 3.848 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC000872159746 980045690 /nfs/dbraw/zinc/04/56/90/980045690.db2.gz ZEAQHLMPGUJGSR-HNNXBMFYSA-N 0 1 281.421 3.849 20 0 CHADMN C[C@H](C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21)C(C)(C)C ZINC000872162376 980052800 /nfs/dbraw/zinc/05/28/00/980052800.db2.gz PDYUJYYSZMWCEH-APIJFGDWSA-N 0 1 281.440 3.634 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000901433033 980281284 /nfs/dbraw/zinc/28/12/84/980281284.db2.gz FWLQAILBVAKARM-ASCRHOAZSA-N 0 1 277.364 3.532 20 0 CHADMN O=C([O-])[C@H]1CC[N@@H+](CC2CCC3(CCCCC3)CC2)C1 ZINC000901492154 980315569 /nfs/dbraw/zinc/31/55/69/980315569.db2.gz VUDIYBWYTZQHBB-HNNXBMFYSA-N 0 1 279.424 3.534 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000901702007 980457068 /nfs/dbraw/zinc/45/70/68/980457068.db2.gz ZLXKDPAHSWXTNL-MRXNPFEDSA-N 0 1 295.810 3.644 20 0 CHADMN C[C@@H]1CCCC[C@H]1C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000901744840 980474329 /nfs/dbraw/zinc/47/43/29/980474329.db2.gz LLWZSNBPNRTAQE-CJNGLKHVSA-N 0 1 287.403 3.569 20 0 CHADMN CC(C)C[N@@H+](CC(C)(C)C(=O)[O-])CC1(C)CCCC1 ZINC000901839316 980557976 /nfs/dbraw/zinc/55/79/76/980557976.db2.gz OFVXKHXBEYCOFV-UHFFFAOYSA-N 0 1 269.429 3.636 20 0 CHADMN Cc1cc(C)c(/C=C/C[N@H+](CCC(=O)[O-])C(C)C)c(C)c1 ZINC000901980234 980659628 /nfs/dbraw/zinc/65/96/28/980659628.db2.gz JYKUGVREJRQDOJ-VOTSOKGWSA-N 0 1 289.419 3.810 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000901984599 980665690 /nfs/dbraw/zinc/66/56/90/980665690.db2.gz NLXKXEKMYLUGRC-HUUCEWRRSA-N 0 1 299.480 3.651 20 0 CHADMN CC(C)c1ccc(CC[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000901992551 980672326 /nfs/dbraw/zinc/67/23/26/980672326.db2.gz DEYFLQOKUHEPMI-AWEZNQCLSA-N 0 1 289.419 3.538 20 0 CHADMN O=C([O-])[C@@H]1CCCCC[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC000902039211 980709343 /nfs/dbraw/zinc/70/93/43/980709343.db2.gz NZQQNIKKGZEWCU-KRWDZBQOSA-N 0 1 287.403 3.783 20 0 CHADMN CCc1oc(C[N@H+](CC)Cc2ccccc2)cc1C(=O)[O-] ZINC000902056846 980714899 /nfs/dbraw/zinc/71/48/99/980714899.db2.gz PORYSDAFNOVGKH-UHFFFAOYSA-N 0 1 287.359 3.562 20 0 CHADMN CCC[N@H+](Cc1cccc(C(=O)[O-])n1)CC1CCCCC1 ZINC000902169268 980765962 /nfs/dbraw/zinc/76/59/62/980765962.db2.gz XSPKNWYKOZDTMY-UHFFFAOYSA-N 0 1 290.407 3.572 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1cc(C)co1 ZINC001595362328 980770339 /nfs/dbraw/zinc/77/03/39/980770339.db2.gz BAEMYQCLYXIXNA-INIZCTEOSA-N 0 1 287.359 3.626 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cc(C)co1 ZINC001595362328 980770347 /nfs/dbraw/zinc/77/03/47/980770347.db2.gz BAEMYQCLYXIXNA-INIZCTEOSA-N 0 1 287.359 3.626 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1ccc(C(=O)[O-])o1 ZINC001595363316 980780965 /nfs/dbraw/zinc/78/09/65/980780965.db2.gz DXPCSOSJFKWYNS-HNNXBMFYSA-N 0 1 287.359 3.951 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2ncc(C(=O)[O-])s2)CC1 ZINC001595374721 980887339 /nfs/dbraw/zinc/88/73/39/980887339.db2.gz ROTQMLOKGBSOHO-UHFFFAOYSA-N 0 1 296.436 3.634 20 0 CHADMN CC[N@@H+](Cc1ccnc2c(C(=O)[O-])cccc12)C1CCCC1 ZINC000902510092 980914820 /nfs/dbraw/zinc/91/48/20/980914820.db2.gz OGQRHCFENFCPCF-UHFFFAOYSA-N 0 1 298.386 3.698 20 0 CHADMN CCC(CC)[N@@H+](Cc1ccc(/C=C\C(=O)[O-])o1)C1CC1 ZINC000902524807 980920867 /nfs/dbraw/zinc/92/08/67/980920867.db2.gz PQBLLDKWSARCNJ-KTKRTIGZSA-N 0 1 277.364 3.530 20 0 CHADMN CCc1oc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1C(=O)[O-] ZINC000902540349 980926650 /nfs/dbraw/zinc/92/66/50/980926650.db2.gz FEAXEVMPIAVFNX-CORIIIEPSA-N 0 1 291.391 3.551 20 0 CHADMN Cc1ccc([C@H](C)[N@@H+](C)CCC(C)(C)C(=O)[O-])c(C)c1 ZINC000902547129 980929109 /nfs/dbraw/zinc/92/91/09/980929109.db2.gz LRYCMKVDYXWMKB-AWEZNQCLSA-N 0 1 277.408 3.797 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000903593995 980977966 /nfs/dbraw/zinc/97/79/66/980977966.db2.gz AXZZRPBIIXCPAO-GOEBONIOSA-N 0 1 291.435 3.704 20 0 CHADMN CC(C)(C)CCC[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000903618930 980996148 /nfs/dbraw/zinc/99/61/48/980996148.db2.gz OZHUXZNSPFJQPK-UHFFFAOYSA-N 0 1 275.392 3.569 20 0 CHADMN CC(C)[N@H+](Cc1ccc(C(=O)[O-])c2cccnc12)CC1CC1 ZINC000903887917 981021903 /nfs/dbraw/zinc/02/19/03/981021903.db2.gz IZYHVAWJUZOQJS-UHFFFAOYSA-N 0 1 298.386 3.553 20 0 CHADMN CC[C@@H](C)[N@@H+](CC)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903904856 981030203 /nfs/dbraw/zinc/03/02/03/981030203.db2.gz OKXSGIBGPJWACA-GFCCVEGCSA-N 0 1 286.375 3.553 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2)C1 ZINC000905372221 981095947 /nfs/dbraw/zinc/09/59/47/981095947.db2.gz IMEMOWDEBWMRLM-INMHGKMJSA-N 0 1 289.419 3.961 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1Cc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001595453368 981117801 /nfs/dbraw/zinc/11/78/01/981117801.db2.gz OUAGLKUVFCIIDU-MRXNPFEDSA-N 0 1 287.403 3.567 20 0 CHADMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(C)c(C(=O)[O-])[nH]1 ZINC001595505151 981281318 /nfs/dbraw/zinc/28/13/18/981281318.db2.gz YSDWCNZGAHGCIB-INIZCTEOSA-N 0 1 298.386 3.531 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])c(CC)[nH]1 ZINC001595571126 981478089 /nfs/dbraw/zinc/47/80/89/981478089.db2.gz NCPPEDCPSTZXCJ-BLLLJJGKSA-N 0 1 292.423 3.676 20 0 CHADMN CCCC1CCC([N@@H+](C)Cc2cc(C(=O)[O-])c(C)[nH]2)CC1 ZINC001595620815 981693748 /nfs/dbraw/zinc/69/37/48/981693748.db2.gz UXXILGZSLIUQPU-UHFFFAOYSA-N 0 1 292.423 3.812 20 0 CHADMN CC[C@@](C)(C(=O)[O-])[N@H+](Cc1cccc(C)c1F)CC1CC1 ZINC001594787405 981818898 /nfs/dbraw/zinc/81/88/98/981818898.db2.gz CQKWVSZLHPNMIK-KRWDZBQOSA-N 0 1 293.382 3.599 20 0 CHADMN CC[C@@](C)(C(=O)[O-])[N@@H+](CC1CC1)CC1CCCCC1 ZINC001594787994 981832359 /nfs/dbraw/zinc/83/23/59/981832359.db2.gz RETWIHRSYNQMBD-INIZCTEOSA-N 0 1 267.413 3.532 20 0 CHADMN Oc1ccc(CN2C3CCC2CC3)cc1C(F)(F)F ZINC000398908117 1118695362 /nfs/dbraw/zinc/69/53/62/1118695362.db2.gz NEXVLJWKTZRCES-UHFFFAOYSA-N 0 1 271.282 3.538 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])c(C)o1 ZINC001595690476 982196860 /nfs/dbraw/zinc/19/68/60/982196860.db2.gz PEJOOSQFKPROTF-CYBMUJFWSA-N 0 1 279.380 3.831 20 0 CHADMN CCC(CC)CC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000535820671 1118899129 /nfs/dbraw/zinc/89/91/29/1118899129.db2.gz JHJBZJMECVWYEZ-UHFFFAOYSA-N 0 1 259.353 3.636 20 0 CHADMN CCC[N@@H+](Cc1ccc(F)cc1)[C@H](C(=O)[O-])[C@H](C)CC ZINC001595887714 982915108 /nfs/dbraw/zinc/91/51/08/982915108.db2.gz CEMGWXJLCFTZDA-DOMZBBRYSA-N 0 1 281.371 3.537 20 0 CHADMN C[C@@H]1CCCC[C@H]1CSc1n[nH]c(C2CC2)n1 ZINC000657241217 1118931511 /nfs/dbraw/zinc/93/15/11/1118931511.db2.gz PGWXKDVVPJMLNF-KOLCDFICSA-N 0 1 251.399 3.601 20 0 CHADMN CC[N@H+](Cc1ccccc1F)C[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001596371832 983873941 /nfs/dbraw/zinc/87/39/41/983873941.db2.gz OOVXDCUVMFUAGR-ZFWWWQNUSA-N 0 1 293.382 3.539 20 0 CHADMN CC[N@@H+](Cc1ccsc1C(=O)[O-])Cc1ccccc1F ZINC001596371943 983874587 /nfs/dbraw/zinc/87/45/87/983874587.db2.gz VTEICIUAQTUWMI-UHFFFAOYSA-N 0 1 293.363 3.608 20 0 CHADMN CC[N@@H+](Cc1ccccc1C(=O)[O-])[C@H](C)c1cccc(O)c1 ZINC001596371974 983875914 /nfs/dbraw/zinc/87/59/14/983875914.db2.gz YUTUWBJIFKNUDV-CYBMUJFWSA-N 0 1 299.370 3.674 20 0 CHADMN CCCCCN(C(=O)c1cccc2n[nH]cc21)C(C)C ZINC000048967694 1125489392 /nfs/dbraw/zinc/48/93/92/1125489392.db2.gz RPICNSSUEHBAND-UHFFFAOYSA-N 0 1 273.380 3.604 20 0 CHADMN Cc1ncc(CN(Cc2cccc(O)c2)CC2CC2)s1 ZINC000112978739 1125493283 /nfs/dbraw/zinc/49/32/83/1125493283.db2.gz CPEODXDIRLZBJD-UHFFFAOYSA-N 0 1 288.416 3.569 20 0 CHADMN C[C@H](O)[C@@H](NCc1sccc1Cl)c1ccccc1 ZINC000657816675 1119452766 /nfs/dbraw/zinc/45/27/66/1119452766.db2.gz KKQXSDIJQQQODL-IINYFYTJSA-N 0 1 281.808 3.613 20 0 CHADMN CC(C)c1ncc(CN2CCS[C@H](C(C)C)C2)s1 ZINC000093869107 1119573065 /nfs/dbraw/zinc/57/30/65/1119573065.db2.gz PHVRLQSUKXFULV-ZDUSSCGKSA-N 0 1 284.494 3.840 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@H+]([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001594686098 987061621 /nfs/dbraw/zinc/06/16/21/987061621.db2.gz MYBZRATTZBMNII-OPVGQWETSA-N 0 1 294.420 3.581 20 0 CHADMN C/C=C/C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(C)c2)C1 ZINC001594686517 987067541 /nfs/dbraw/zinc/06/75/41/987067541.db2.gz XKGUVTJCXGLXMM-BWPKMQGJSA-N 0 1 287.403 3.871 20 0 CHADMN CC[C@@H]([NH2+][C@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC001597291654 987380456 /nfs/dbraw/zinc/38/04/56/987380456.db2.gz QNXUIGXEPLVIOU-KGLIPLIRSA-N 0 1 275.373 3.615 20 0 CHADMN Cc1nc(CN(C)C[C@H](C)Cc2ccccc2)cs1 ZINC000132154944 1125500062 /nfs/dbraw/zinc/50/00/62/1125500062.db2.gz QVDVEXYGTDRXAZ-CYBMUJFWSA-N 0 1 274.433 3.762 20 0 CHADMN CCc1[nH]c(C[N@H+]([C@H](C)[C@H](C)CC)C2CC2)cc1C(=O)[O-] ZINC001597380775 987578981 /nfs/dbraw/zinc/57/89/81/987578981.db2.gz XZPXILWGIYKVPU-VXGBXAGGSA-N 0 1 292.423 3.674 20 0 CHADMN Cc1cc([C@H](C)NCc2c(C3CC3)cnn2C)cs1 ZINC000658211324 1119700242 /nfs/dbraw/zinc/70/02/42/1119700242.db2.gz DPDOBVLNFZOUOZ-NSHDSACASA-N 0 1 275.421 3.518 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@@H+](Cc2ccccc2CC(=O)[O-])C1 ZINC001589732199 987956172 /nfs/dbraw/zinc/95/61/72/987956172.db2.gz GYORSMMVRAOSDD-INIZCTEOSA-N 0 1 289.419 3.572 20 0 CHADMN CC(C)(C)C[C@@H]1CC[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001589764555 988103989 /nfs/dbraw/zinc/10/39/89/988103989.db2.gz NGXNERQMVFPLFP-YBJDMEARSA-N 0 1 291.391 3.636 20 0 CHADMN Cn1cc(Cl)c(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000393331750 1119944777 /nfs/dbraw/zinc/94/47/77/1119944777.db2.gz LKEXLBSIOGHJFO-YNEHKIRRSA-N 0 1 281.831 3.522 20 0 CHADMN CCc1oc(C[N@@H+]2Cc3ccccc3[C@H](C)C2)cc1C(=O)[O-] ZINC001597798270 989363338 /nfs/dbraw/zinc/36/33/38/989363338.db2.gz CILMNTAUAOHNGJ-GFCCVEGCSA-N 0 1 299.370 3.660 20 0 CHADMN CCCC1CCC(NCc2nnc(C3CC3)s2)CC1 ZINC000414325439 1119984191 /nfs/dbraw/zinc/98/41/91/1119984191.db2.gz MDSTXGCHGCTQHZ-UHFFFAOYSA-N 0 1 279.453 3.864 20 0 CHADMN CC(C)[C@@H]1CCCCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC001591088374 991621983 /nfs/dbraw/zinc/62/19/83/991621983.db2.gz HKGNXPSYYDMJGO-INIZCTEOSA-N 0 1 275.392 3.785 20 0 CHADMN CC(C)[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001591092427 991640799 /nfs/dbraw/zinc/64/07/99/991640799.db2.gz JROVDQGTTHABON-GFCCVEGCSA-N 0 1 281.783 3.516 20 0 CHADMN CC(C)[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])cs2)[C@H]1C(C)C ZINC001591096463 991686849 /nfs/dbraw/zinc/68/68/49/991686849.db2.gz FKPOCQDQISYZPT-KBPBESRZSA-N 0 1 281.421 3.559 20 0 CHADMN CC(C)[C@@H]1[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)CC12CCCCC2 ZINC001591099221 991708499 /nfs/dbraw/zinc/70/84/99/991708499.db2.gz IOVLJLROJMOCEE-HNNXBMFYSA-N 0 1 290.407 3.504 20 0 CHADMN CC(C)[C@H]1[N@@H+](Cc2csc(C(=O)[O-])c2)CC12CCCC2 ZINC001591100332 991723264 /nfs/dbraw/zinc/72/32/64/991723264.db2.gz VYSYAXTWMMGNBY-CQSZACIVSA-N 0 1 293.432 3.847 20 0 CHADMN C[N@@H+](C[C@@H]1CCCCC1(C)C)[C@H](C(=O)[O-])c1ccccc1 ZINC001598455576 991932114 /nfs/dbraw/zinc/93/21/14/991932114.db2.gz RIHKCSIXGOSFMU-HOTGVXAUSA-N 0 1 289.419 3.961 20 0 CHADMN C[N@@H+](C[C@H]1CCCC[C@H]1C(=O)[O-])C1CCC(C)(C)CC1 ZINC001598455925 991935988 /nfs/dbraw/zinc/93/59/88/991935988.db2.gz QJTCOVNPGFZNAM-UKRRQHHQSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)CC[C@H]1CCCC[N@H+]1Cc1occc1C(=O)[O-] ZINC001591228612 992105109 /nfs/dbraw/zinc/10/51/09/992105109.db2.gz SDJQYSDAMKBLLL-CYBMUJFWSA-N 0 1 279.380 3.769 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])o1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001598516159 992619018 /nfs/dbraw/zinc/61/90/18/992619018.db2.gz DZGKVRGPRPINBB-STQMWFEESA-N 0 1 279.380 3.624 20 0 CHADMN C[N@@H+](Cc1cccc2ccoc21)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598526918 992731701 /nfs/dbraw/zinc/73/17/01/992731701.db2.gz CSZLOSQCMYCREJ-MRXNPFEDSA-N 0 1 295.338 3.691 20 0 CHADMN C[C@@H](NCCCC(C)(C)C)c1nc(C(C)(C)C)no1 ZINC000499626697 1120368699 /nfs/dbraw/zinc/36/86/99/1120368699.db2.gz RAERKGPLULZKAU-LLVKDONJSA-N 0 1 267.417 3.844 20 0 CHADMN CN(CCC(C)(C)C)C(=O)c1ccc(O)c(Cl)c1 ZINC000399803517 1120540457 /nfs/dbraw/zinc/54/04/57/1120540457.db2.gz CXPJWOUBOQYCAZ-UHFFFAOYSA-N 0 1 269.772 3.554 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001593689239 996131054 /nfs/dbraw/zinc/13/10/54/996131054.db2.gz DEWVIYPDPFKFNV-HIFRSBDPSA-N 0 1 299.370 3.918 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001593711101 996211642 /nfs/dbraw/zinc/21/16/42/996211642.db2.gz PRSYJHDUQMOOBK-BSYHEUMXSA-N 0 1 285.343 3.570 20 0 CHADMN C[C@H](c1ccccc1F)[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001593716988 996233837 /nfs/dbraw/zinc/23/38/37/996233837.db2.gz GHTYCQVHKLHIJQ-GFCCVEGCSA-N 0 1 299.345 3.643 20 0 CHADMN Cc1nc(CN2CC[C@H](C(C)(C)C)C[C@@H]2C)co1 ZINC000660556016 1120658251 /nfs/dbraw/zinc/65/82/51/1120658251.db2.gz CIKQORQALLGLLP-AAEUAGOBSA-N 0 1 250.386 3.630 20 0 CHADMN CC1(C)CCCC[C@H]1C[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC001593904591 996782510 /nfs/dbraw/zinc/78/25/10/996782510.db2.gz HWBYWSWYLPKEDL-AWEZNQCLSA-N 0 1 281.440 3.922 20 0 CHADMN CCCN(C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660710390 1120680802 /nfs/dbraw/zinc/68/08/02/1120680802.db2.gz RWRSUVBKBSNKPM-SECBINFHSA-N 0 1 251.761 3.619 20 0 CHADMN C[C@H](NCc1ncc(C(C)(C)C)o1)C1CCC(F)CC1 ZINC000661999795 1120855283 /nfs/dbraw/zinc/85/52/83/1120855283.db2.gz HXSLJHIINKBKIY-HIFPTAJRSA-N 0 1 282.403 3.979 20 0 CHADMN CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])[C@@H]1CCCO1 ZINC000248530442 1120877676 /nfs/dbraw/zinc/87/76/76/1120877676.db2.gz XHNYFLGYFGKIQL-DGFSRKRXSA-N 0 1 283.799 3.654 20 0 CHADMN CCOC(=O)CC(C)(C)[N@@H+](C)Cc1ccccc1Cl ZINC000343895650 1120918476 /nfs/dbraw/zinc/91/84/76/1120918476.db2.gz HVMZOKDUBXIGIF-UHFFFAOYSA-N 0 1 283.799 3.504 20 0 CHADMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000162119093 1120935501 /nfs/dbraw/zinc/93/55/01/1120935501.db2.gz UALOFSFQZNQVNM-MNOVXSKESA-N 0 1 250.411 3.641 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2csc(C3CC3)n2)C1 ZINC000162119093 1120935504 /nfs/dbraw/zinc/93/55/04/1120935504.db2.gz UALOFSFQZNQVNM-MNOVXSKESA-N 0 1 250.411 3.641 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1c2ccccc2sc1C(=O)[O-] ZINC001594231491 998879832 /nfs/dbraw/zinc/87/98/32/998879832.db2.gz BVIIXCKEQOGWAK-AOOOYVTPSA-N 0 1 275.373 3.582 20 0 CHADMN COc1ccc(CN[C@@H]2CCCc3sccc32)o1 ZINC000893640961 1121116269 /nfs/dbraw/zinc/11/62/69/1121116269.db2.gz PUWBCNPUPZPZIH-GFCCVEGCSA-N 0 1 263.362 3.517 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC001594269668 999042192 /nfs/dbraw/zinc/04/21/92/999042192.db2.gz MCSYVXCXNIAUES-IUODEOHRSA-N 0 1 285.343 3.561 20 0 CHADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC001594293168 999131188 /nfs/dbraw/zinc/13/11/88/999131188.db2.gz QGVAFWYYLILKST-NOOOWODRSA-N 0 1 294.420 3.555 20 0 CHADMN CC(C)(C)C(=O)CCN(Cc1cccc(F)c1)C1CC1 ZINC000753705664 1121152448 /nfs/dbraw/zinc/15/24/48/1121152448.db2.gz SSZQCIMKBJTULN-UHFFFAOYSA-N 0 1 277.383 3.795 20 0 CHADMN Cc1ccc2c(c1)CN(CCCCC(F)(F)F)CCO2 ZINC000512183683 1121149019 /nfs/dbraw/zinc/14/90/19/1121149019.db2.gz VNINIVHQFCRIAG-UHFFFAOYSA-N 0 1 287.325 3.922 20 0 CHADMN CC(C)(C)c1csc(CNC[C@@]2(C)CC2(F)F)n1 ZINC000701651438 1121162774 /nfs/dbraw/zinc/16/27/74/1121162774.db2.gz DOGQJEWRHZFZIW-GFCCVEGCSA-N 0 1 274.380 3.576 20 0 CHADMN C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)C1 ZINC001594345371 999306706 /nfs/dbraw/zinc/30/67/06/999306706.db2.gz BAKABRXUAOLQDI-ALYAQQCSSA-N 0 1 293.451 3.778 20 0 CHADMN C[C@@H](F)CCN[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000351730474 1121233409 /nfs/dbraw/zinc/23/34/09/1121233409.db2.gz OTBZDXSIHZQJBQ-NEPJUHHUSA-N 0 1 262.328 3.740 20 0 CHADMN C[C@@H](NCC1=CCCC1)c1nc2c(s1)CCCC2 ZINC000645861722 1121267577 /nfs/dbraw/zinc/26/75/77/1121267577.db2.gz GNMMIKSKHKCILA-LLVKDONJSA-N 0 1 262.422 3.783 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1nc2ccc(F)cc2s1 ZINC000432732751 1121301077 /nfs/dbraw/zinc/30/10/77/1121301077.db2.gz XJYXWHZKBSBVKE-UWVGGRQHSA-N 0 1 264.369 3.808 20 0 CHADMN CC[C@H]1CO[C@H](C)CN1CCSc1ccc(Cl)cc1 ZINC000675722263 1121348780 /nfs/dbraw/zinc/34/87/80/1121348780.db2.gz IOLIPTUTYCAIHM-OCCSQVGLSA-N 0 1 299.867 3.931 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC000711395908 1121526515 /nfs/dbraw/zinc/52/65/15/1121526515.db2.gz YRSJRKQRNQXCCG-UHFFFAOYSA-N 0 1 281.421 3.849 20 0 CHADMN Fc1cccc(C(F)(F)F)c1N=C1CCOCC1 ZINC001176144400 1121549500 /nfs/dbraw/zinc/54/95/00/1121549500.db2.gz QGSPIVKPROARCO-UHFFFAOYSA-N 0 1 261.218 3.561 20 0 CHADMN CCN(Cc1c(Cl)cccc1Cl)C[C@@H]1CCOC1 ZINC000052071780 1121645767 /nfs/dbraw/zinc/64/57/67/1121645767.db2.gz VOWLTIOCBGBWGF-NSHDSACASA-N 0 1 288.218 3.852 20 0 CHADMN CC(C)Oc1ccc(Cl)cc1Nc1cncn1C ZINC001176642784 1121667340 /nfs/dbraw/zinc/66/73/40/1121667340.db2.gz LMSWMTGUXZBUBJ-UHFFFAOYSA-N 0 1 265.744 3.604 20 0 CHADMN CC(C)(N[C@H]1CCC[C@H](C2CCOCC2)C1)C(F)F ZINC000894146915 1121671159 /nfs/dbraw/zinc/67/11/59/1121671159.db2.gz BMLIVCORXAJHDJ-STQMWFEESA-N 0 1 275.383 3.605 20 0 CHADMN CCC[C@H](CNCc1c(F)cc(C)cc1F)OCC ZINC001179247651 1121864739 /nfs/dbraw/zinc/86/47/39/1121864739.db2.gz ITSBWQJGSCAUFS-GFCCVEGCSA-N 0 1 271.351 3.568 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1Cc1cccc(F)c1OC(F)(F)F ZINC001179980953 1121933031 /nfs/dbraw/zinc/93/30/31/1121933031.db2.gz UYGNEZIITDZFPU-VHSXEESVSA-N 0 1 291.288 3.955 20 0 CHADMN Oc1ccc2c(c1)CN(C[C@@H]1CCCCC1(F)F)C2 ZINC000625728190 1121967983 /nfs/dbraw/zinc/96/79/83/1121967983.db2.gz YUHHXRDRDPWCRC-ZDUSSCGKSA-N 0 1 267.319 3.533 20 0 CHADMN CCCC[N@@H+](C)Cc1cc(OC)c(OC)cc1Cl ZINC001180375030 1121981526 /nfs/dbraw/zinc/98/15/26/1121981526.db2.gz BSJIXQXDKAIWKJ-UHFFFAOYSA-N 0 1 271.788 3.589 20 0 CHADMN CCCCN(C)Cc1cc(OC)c(OC)cc1Cl ZINC001180375030 1121981530 /nfs/dbraw/zinc/98/15/30/1121981530.db2.gz BSJIXQXDKAIWKJ-UHFFFAOYSA-N 0 1 271.788 3.589 20 0 CHADMN CCn1cc(CN(C(C)C)[C@H](C)c2ccsc2)cn1 ZINC000421365494 1122102649 /nfs/dbraw/zinc/10/26/49/1122102649.db2.gz ASNLZVFDRTXYSE-CYBMUJFWSA-N 0 1 277.437 3.936 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2cc(F)c(F)c(F)c2)C1 ZINC000505344171 1122359309 /nfs/dbraw/zinc/35/93/09/1122359309.db2.gz NWNZCDRSMDWYHV-NXEZZACHSA-N 0 1 257.299 3.582 20 0 CHADMN Cc1nc(C[N@H+](C)[C@H](C)Cc2cccs2)c(C)s1 ZINC001191463536 1122602892 /nfs/dbraw/zinc/60/28/92/1122602892.db2.gz DQVKWQARBKHRMI-SNVBAGLBSA-N 0 1 280.462 3.884 20 0 CHADMN Cc1nc(CN(C)[C@H](C)Cc2cccs2)c(C)s1 ZINC001191463536 1122602894 /nfs/dbraw/zinc/60/28/94/1122602894.db2.gz DQVKWQARBKHRMI-SNVBAGLBSA-N 0 1 280.462 3.884 20 0 CHADMN Cn1ncc(Cl)c1CN1CCC[C@H](C(C)(C)C)CC1 ZINC000438110777 1122679545 /nfs/dbraw/zinc/67/95/45/1122679545.db2.gz VRBZBOHGFIJLAG-LBPRGKRZSA-N 0 1 283.847 3.722 20 0 CHADMN Cc1ccc(F)c(CN2CCC(C(F)(F)F)CC2)c1 ZINC000506370557 1122726043 /nfs/dbraw/zinc/72/60/43/1122726043.db2.gz RCSJTOJWWIHMQX-UHFFFAOYSA-N 0 1 275.289 3.908 20 0 CHADMN COc1ccc(CN2CCC[C@@H](C(F)(F)F)C2)cc1C ZINC000506788191 1122830559 /nfs/dbraw/zinc/83/05/59/1122830559.db2.gz MMVPOJAVMFPPNG-CYBMUJFWSA-N 0 1 287.325 3.778 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCC[C@@H]1O ZINC001203804001 1122848477 /nfs/dbraw/zinc/84/84/77/1122848477.db2.gz JSDXBIPGDGCSEB-YGRLFVJLSA-N 0 1 288.218 3.586 20 0 CHADMN CCCN(Cc1nc2c(s1)C[C@@H](C)CC2)C1CC1 ZINC000507225615 1122939876 /nfs/dbraw/zinc/93/98/76/1122939876.db2.gz AJXYNMNFFDUJON-NSHDSACASA-N 0 1 264.438 3.642 20 0 CHADMN CCO[C@H]1CCN(CCc2c(Cl)cccc2Cl)C1 ZINC001198354446 1122989430 /nfs/dbraw/zinc/98/94/30/1122989430.db2.gz GBHCZEHCJYXNRN-NSHDSACASA-N 0 1 288.218 3.647 20 0 CHADMN CC[C@H](F)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000440579228 1123015613 /nfs/dbraw/zinc/01/56/13/1123015613.db2.gz RHVOVLLKNRGZFV-NSHDSACASA-N 0 1 265.357 3.620 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](C)CCO[C@@H]1CCCC[C@H]1C ZINC000519903610 1123038100 /nfs/dbraw/zinc/03/81/00/1123038100.db2.gz OUOYWZKRVIKFST-QLFBSQMISA-N 0 1 265.397 3.868 20 0 CHADMN C[C@@H](c1ccco1)N(C)CCO[C@@H]1CCCC[C@H]1C ZINC000519903610 1123038104 /nfs/dbraw/zinc/03/81/04/1123038104.db2.gz OUOYWZKRVIKFST-QLFBSQMISA-N 0 1 265.397 3.868 20 0 CHADMN Cc1sc(NC(=O)CN2CCC[C@H](C)[C@H]2C)c(C)c1C ZINC000441453771 1123129594 /nfs/dbraw/zinc/12/95/94/1123129594.db2.gz ZOIVVMHUHIXZGM-GXFFZTMASA-N 0 1 294.464 3.732 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc[nH]2)c(Br)c1 ZINC001201842663 1123154998 /nfs/dbraw/zinc/15/49/98/1123154998.db2.gz OATWWARPVQSGTQ-NSHDSACASA-N 0 1 293.208 3.936 20 0 CHADMN Clc1ccc(N2CCN(CC3CC3)CC2)c(Cl)c1 ZINC001201942339 1123160767 /nfs/dbraw/zinc/16/07/67/1123160767.db2.gz AXJPKQDQEQQLHC-UHFFFAOYSA-N 0 1 285.218 3.525 20 0 CHADMN CCC(C)(C)[C@@H]1CCCN1Cc1nc(CC(C)C)no1 ZINC000441644902 1123191993 /nfs/dbraw/zinc/19/19/93/1123191993.db2.gz NJIKFYIZTYTQFY-ZDUSSCGKSA-N 0 1 279.428 3.669 20 0 CHADMN COc1ccc2c(c1)C[N@H+](CCCC(F)(F)F)CCC2 ZINC001202441276 1123208490 /nfs/dbraw/zinc/20/84/90/1123208490.db2.gz ARDPNFVZLVSWBY-UHFFFAOYSA-N 0 1 287.325 3.786 20 0 CHADMN CC[C@H]1C[C@@H](CN(CC(F)F)CC2CCC2)CCO1 ZINC000507809956 1123217993 /nfs/dbraw/zinc/21/79/93/1123217993.db2.gz GDJDRUSPIGYIOR-KBPBESRZSA-N 0 1 275.383 3.559 20 0 CHADMN C[C@H](C(=O)Nc1cccc(Cl)c1O)c1ccsc1 ZINC000335183150 1123323856 /nfs/dbraw/zinc/32/38/56/1123323856.db2.gz KAFHNSWZJJXRGD-QMMMGPOBSA-N 0 1 281.764 3.849 20 0 CHADMN FC(F)OCCN1CCC[C@@H]1c1ccccc1Cl ZINC000851731439 1123375556 /nfs/dbraw/zinc/37/55/56/1123375556.db2.gz QDYLJYSVNPUZNV-GFCCVEGCSA-N 0 1 275.726 3.716 20 0 CHADMN COc1ccc2nc(SC[C@H](F)C(F)(F)F)[nH]c2c1 ZINC000443478062 1123415523 /nfs/dbraw/zinc/41/55/23/1123415523.db2.gz SLWBTASTJQQGFF-VIFPVBQESA-N 0 1 294.273 3.564 20 0 CHADMN CC(C)n1ccn(CN2[C@@H]3CC[C@H]2CC(C)C3)c1=S ZINC000853606645 1123443842 /nfs/dbraw/zinc/44/38/42/1123443842.db2.gz UOWCBNQAWBBTHC-AGUYFDCRSA-N 0 1 279.453 3.820 20 0 CHADMN COc1c(C)cc(CNCc2ccc(C)o2)cc1C ZINC000865724466 1124007304 /nfs/dbraw/zinc/00/73/04/1124007304.db2.gz VLOQJJMDZRQJRE-UHFFFAOYSA-N 0 1 259.349 3.503 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccc(C(F)F)nc1 ZINC000866451503 1124066765 /nfs/dbraw/zinc/06/67/65/1124066765.db2.gz LQCZEANMVMZXAH-ZMLRMANQSA-N 0 1 272.314 3.951 20 0 CHADMN COC[C@@]1(C)CCN(Cc2c(Cl)cccc2Cl)C1 ZINC000449389396 1124718745 /nfs/dbraw/zinc/71/87/45/1124718745.db2.gz CMPDZNPNKKCRCT-AWEZNQCLSA-N 0 1 288.218 3.852 20 0 CHADMN Fc1ccc(F)c(CN2CCC[C@@]3(CCSC3)C2)c1 ZINC000449734597 1124853429 /nfs/dbraw/zinc/85/34/29/1124853429.db2.gz SCPXWVWXOWXYMY-OAHLLOKOSA-N 0 1 283.387 3.684 20 0 CHADMN C=C/C=C/CCN1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001168113207 1124875666 /nfs/dbraw/zinc/87/56/66/1124875666.db2.gz LESDZAXBWIMCOA-GMOCUTOCSA-N 0 1 263.406 3.642 20 0 CHADMN CN(Cc1c(F)cccc1Cl)CC1CC(F)(F)C1 ZINC000450220890 1124949936 /nfs/dbraw/zinc/94/99/36/1124949936.db2.gz MICMRKBMKBRSTL-UHFFFAOYSA-N 0 1 277.717 3.956 20 0 CHADMN COc1cccc(CN2CC[C@@](C)(C(F)(F)F)C2)c1F ZINC000877812024 1125084134 /nfs/dbraw/zinc/08/41/34/1125084134.db2.gz FKVATVYGHHEDJY-CYBMUJFWSA-N 0 1 291.288 3.609 20 0 CHADMN Cc1ccc(CNCc2ccnc(C)c2)c(Cl)c1 ZINC000391136129 1125120228 /nfs/dbraw/zinc/12/02/28/1125120228.db2.gz IPBKYAZWCFLHOK-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN CCCC1CCC(N(C)Cc2nnc(C(C)C)o2)CC1 ZINC000191425524 1125325164 /nfs/dbraw/zinc/32/51/64/1125325164.db2.gz YDNUNGPPCBEUHX-UHFFFAOYSA-N 0 1 279.428 3.984 20 0 CHADMN CC(C)(C)c1n[nH]c(SC[C@@H]2CCCC(C)(C)O2)n1 ZINC000882090576 1125335210 /nfs/dbraw/zinc/33/52/10/1125335210.db2.gz ZRWTXBVNGUWOQG-JTQLQIEISA-N 0 1 283.441 3.542 20 0 CHADMN CC(C)(C)c1nc(SC[C@@H]2CCCC(C)(C)O2)n[nH]1 ZINC000882090576 1125335215 /nfs/dbraw/zinc/33/52/15/1125335215.db2.gz ZRWTXBVNGUWOQG-JTQLQIEISA-N 0 1 283.441 3.542 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC[C@@H](F)CC2)c1 ZINC001138672265 1131535269 /nfs/dbraw/zinc/53/52/69/1131535269.db2.gz WIHFHFNQLCBGBL-LLVKDONJSA-N 0 1 259.727 3.803 20 0 CHADMN CCOc1c(Cl)ccc(CN(CC)C2CC2)c1F ZINC001143824636 1131535795 /nfs/dbraw/zinc/53/57/95/1131535795.db2.gz LIEIOVPOUAKBCM-UHFFFAOYSA-N 0 1 271.763 3.862 20 0 CHADMN Cc1c(F)cc(F)cc1CN1CC[C@@H](F)C(F)(F)CC1 ZINC001143757911 1131531816 /nfs/dbraw/zinc/53/18/16/1131531816.db2.gz PZWGSMOOSCRQGJ-CYBMUJFWSA-N 0 1 293.279 3.842 20 0 CHADMN COc1ccc(F)c(CN2CCCCC[C@H]2C)c1F ZINC001143976727 1131564037 /nfs/dbraw/zinc/56/40/37/1131564037.db2.gz LHBRNSFSJDVWTQ-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN Cc1cc(CN2CC[C@H](C)C[C@@H]2C)cnc1Cl ZINC001139545080 1131615342 /nfs/dbraw/zinc/61/53/42/1131615342.db2.gz QJIDVIRTUZNSKN-JQWIXIFHSA-N 0 1 252.789 3.664 20 0 CHADMN CCOc1ccc(CN2CCC[C@H](CF)C2)cc1Cl ZINC001139595827 1131619896 /nfs/dbraw/zinc/61/98/96/1131619896.db2.gz AFFKAWGGOZAUNI-CYBMUJFWSA-N 0 1 285.790 3.920 20 0 CHADMN C[C@]1(CF)CCN(Cc2ccc(O)cc2C(F)(F)F)C1 ZINC001144381275 1131623178 /nfs/dbraw/zinc/62/31/78/1131623178.db2.gz NNARPFINATWPLD-CYBMUJFWSA-N 0 1 291.288 3.593 20 0 CHADMN Cc1nc([C@@H](C)Sc2nc(C(C)C)cs2)n[nH]1 ZINC000845331187 1131627125 /nfs/dbraw/zinc/62/71/25/1131627125.db2.gz SDDNAPJVRUGYRO-SSDOTTSWSA-N 0 1 268.411 3.546 20 0 CHADMN COc1c(Cl)cccc1CN1CC[C@]2(CC2(F)F)C1 ZINC001140067449 1131661820 /nfs/dbraw/zinc/66/18/20/1131661820.db2.gz JFMSARUDAXQICZ-ZDUSSCGKSA-N 0 1 287.737 3.580 20 0 CHADMN C[C@@H](NCc1cccc(C2CC2)c1)c1ccns1 ZINC000715953951 1131997921 /nfs/dbraw/zinc/99/79/21/1131997921.db2.gz LWWQVEYOMAYTJY-LLVKDONJSA-N 0 1 258.390 3.871 20 0 CHADMN C[C@@H](N[C@H]1CCCc2sccc21)c1ccns1 ZINC000716030628 1132001048 /nfs/dbraw/zinc/00/10/48/1132001048.db2.gz NAUVVFCFTNSTRP-KOLCDFICSA-N 0 1 264.419 3.933 20 0 CHADMN Cc1cccc(CN(C)CCC2CC2)c1Br ZINC001141092218 1132011646 /nfs/dbraw/zinc/01/16/46/1132011646.db2.gz MCOFDMMTMQXBRI-UHFFFAOYSA-N 0 1 282.225 3.989 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@@]3(C2)CCCCO3)ccc1Cl ZINC001141232428 1132053830 /nfs/dbraw/zinc/05/38/30/1132053830.db2.gz DZCWDTPRETZDGA-MRXNPFEDSA-N 0 1 279.811 3.793 20 0 CHADMN Cn1c(Br)ccc1CN1CCC[C@@H]2CCC[C@H]21 ZINC001248776197 1132088368 /nfs/dbraw/zinc/08/83/68/1132088368.db2.gz KVJCTMYZNVRPFR-WCQYABFASA-N 0 1 297.240 3.552 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1nc2c(s1)CCCC2 ZINC001231582432 1132318996 /nfs/dbraw/zinc/31/89/96/1132318996.db2.gz MGMQKLZWAMIBKC-NWDGAFQWSA-N 0 1 264.438 3.642 20 0 CHADMN CCO[C@H]1CCCN([C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172852594 1132340538 /nfs/dbraw/zinc/34/05/38/1132340538.db2.gz HBWQIGDLJFBTRB-STQMWFEESA-N 0 1 299.817 3.911 20 0 CHADMN C[C@@H](CSc1ccc(Cl)cc1)N1CC[C@H](F)C1 ZINC001172876830 1132356218 /nfs/dbraw/zinc/35/62/18/1132356218.db2.gz OEYQDSBVIWXBBO-JQWIXIFHSA-N 0 1 273.804 3.864 20 0 CHADMN Cc1cc(F)ncc1CN(C)Cc1cccc(Cl)c1 ZINC001231985174 1132405811 /nfs/dbraw/zinc/40/58/11/1132405811.db2.gz VWOMOHJZNWQDJH-UHFFFAOYSA-N 0 1 278.758 3.815 20 0 CHADMN C[C@@H]1CCCN(Cc2cccc(C(F)(F)F)n2)[C@H]1C ZINC001232072323 1132418458 /nfs/dbraw/zinc/41/84/58/1132418458.db2.gz LFZACUBETILJEU-MNOVXSKESA-N 0 1 272.314 3.721 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ncccc2Br)C[C@H]1C ZINC001232161964 1132430122 /nfs/dbraw/zinc/43/01/22/1132430122.db2.gz PIIVMCGLTYFBSZ-VXGBXAGGSA-N 0 1 297.240 3.712 20 0 CHADMN C[C@@H]1CCCN(Cc2ncccc2Br)C[C@H]1C ZINC001232161964 1132430128 /nfs/dbraw/zinc/43/01/28/1132430128.db2.gz PIIVMCGLTYFBSZ-VXGBXAGGSA-N 0 1 297.240 3.712 20 0 CHADMN CCSC[C@H](C)NCc1c(F)ccc(C)c1F ZINC001173288413 1132457376 /nfs/dbraw/zinc/45/73/76/1132457376.db2.gz VNKQWIJGWWEWON-JTQLQIEISA-N 0 1 259.365 3.504 20 0 CHADMN CCOCC1CCN(Cc2cc(C)c(F)cc2F)CC1 ZINC001232787363 1132520714 /nfs/dbraw/zinc/52/07/14/1132520714.db2.gz YYKZRTCFKAHKNW-UHFFFAOYSA-N 0 1 283.362 3.522 20 0 CHADMN CCCCCC(C)(C)CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC001149594378 1132545552 /nfs/dbraw/zinc/54/55/52/1132545552.db2.gz NGSNEDOHQWVCJR-CQSZACIVSA-N 0 1 282.472 3.582 20 0 CHADMN CCCCCC(C)(C)CNC(=O)[C@H]1CCN1C(C)(C)C ZINC001149594378 1132545557 /nfs/dbraw/zinc/54/55/57/1132545557.db2.gz NGSNEDOHQWVCJR-CQSZACIVSA-N 0 1 282.472 3.582 20 0 CHADMN CC[C@@H]1CCCN1Cc1cc(O)cc(Br)c1 ZINC001232998393 1132560991 /nfs/dbraw/zinc/56/09/91/1132560991.db2.gz QXKCAFSIAWHMFC-GFCCVEGCSA-N 0 1 284.197 3.529 20 0 CHADMN [O-]c1cnc(Cl)cc1C[N@H+]1CCC2(C1)CCCCC2 ZINC001233040141 1132564572 /nfs/dbraw/zinc/56/45/72/1132564572.db2.gz KYNSJVNJTFSVBM-UHFFFAOYSA-N 0 1 280.799 3.597 20 0 CHADMN CCC1(O)CCN(Cc2c(Cl)cccc2SC)CC1 ZINC001233352895 1132609146 /nfs/dbraw/zinc/60/91/46/1132609146.db2.gz YDKRRERXOBCSQD-UHFFFAOYSA-N 0 1 299.867 3.799 20 0 CHADMN CCC(CC)N(CC)Cc1c(F)ccc(O)c1F ZINC001233396267 1132615536 /nfs/dbraw/zinc/61/55/36/1132615536.db2.gz SKLQCGUBSMNBMJ-UHFFFAOYSA-N 0 1 257.324 3.681 20 0 CHADMN CC(C)(C)C(=N)Nc1nc(Cl)nc2[nH]cc(Cl)c21 ZINC001155175360 1132644826 /nfs/dbraw/zinc/64/48/26/1132644826.db2.gz CQLHHKKOBUTBNZ-UHFFFAOYSA-N 0 1 286.166 3.700 20 0 CHADMN Fc1ccc(Br)c(CN(CC2CC2)C2CC2)c1 ZINC001204542545 1133460952 /nfs/dbraw/zinc/46/09/52/1133460952.db2.gz KFSILWMQIVLRPG-UHFFFAOYSA-N 0 1 298.199 3.963 20 0 CHADMN CN(Cc1cccc(OC(F)F)c1)C1CC(F)(F)C1 ZINC001204808662 1133488404 /nfs/dbraw/zinc/48/84/04/1133488404.db2.gz OCTHUPYIXLFCKK-UHFFFAOYSA-N 0 1 277.261 3.518 20 0 CHADMN Cc1cc(CN2CCCC[C@@H](C)C2)ncc1Br ZINC001205437776 1133576779 /nfs/dbraw/zinc/57/67/79/1133576779.db2.gz KBHRUAKWOLIJRA-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN C[C@@H]1C[C@H](C)CCN(Cc2cccnc2Br)C1 ZINC001207590194 1133823609 /nfs/dbraw/zinc/82/36/09/1133823609.db2.gz XVXNYFHHMVXJFK-VXGBXAGGSA-N 0 1 297.240 3.712 20 0 CHADMN Fc1cc(F)cc(CCN2CCCC(F)(F)CC2)c1 ZINC001209129084 1133978475 /nfs/dbraw/zinc/97/84/75/1133978475.db2.gz UNNPOMVIQJLDPA-UHFFFAOYSA-N 0 1 275.289 3.629 20 0 CHADMN CC/C=C\CCCCCCN(C)Cc1cnccn1 ZINC001209285247 1134000832 /nfs/dbraw/zinc/00/08/32/1134000832.db2.gz HDNMBNCPGUQTSF-PLNGDYQASA-N 0 1 261.413 3.825 20 0 CHADMN c1cc(CNCc2csc3ccccc23)sn1 ZINC000404277001 1134944452 /nfs/dbraw/zinc/94/44/52/1134944452.db2.gz NUFLMEOPZLRFGI-UHFFFAOYSA-N 0 1 260.387 3.648 20 0 CHADMN COCCCCCSc1nc(-c2ccccc2F)n[nH]1 ZINC000116609897 1125510056 /nfs/dbraw/zinc/51/00/56/1125510056.db2.gz ZAUMPBQONCJSJG-UHFFFAOYSA-N 0 1 295.383 3.520 20 0 CHADMN CC(C)N(CC(=O)Nc1ccc(F)cc1)[C@H]1C=CCCC1 ZINC000532688583 1125513829 /nfs/dbraw/zinc/51/38/29/1125513829.db2.gz RZKJYIUKAZZKLH-INIZCTEOSA-N 0 1 290.382 3.583 20 0 CHADMN CSc1cc(C)cc(CN2CCC[C@@H]2c2cnccn2)c1 ZINC001238680697 1131230670 /nfs/dbraw/zinc/23/06/70/1131230670.db2.gz BBAKVNWNYVXXIA-QGZVFWFLSA-N 0 1 299.443 3.844 20 0 CHADMN CC[C@H](N[C@@H]1C[C@@H]1C(F)F)c1ccc(F)cc1F ZINC000348312041 1125525133 /nfs/dbraw/zinc/52/51/33/1125525133.db2.gz UKKCDBQYQJYOQB-ZMLRMANQSA-N 0 1 261.262 3.659 20 0 CHADMN C[C@H](c1ccccc1)N1CCN([C@@H](C)c2cccnc2)CC1 ZINC000118835616 1125526221 /nfs/dbraw/zinc/52/62/21/1125526221.db2.gz RYLFAQWVOCUBEM-SJORKVTESA-N 0 1 295.430 3.521 20 0 CHADMN C[C@H](c1nc2ccccc2s1)N(C)CCCF ZINC000136280814 1125529312 /nfs/dbraw/zinc/52/93/12/1125529312.db2.gz PTFAKCPOVMPFJY-SNVBAGLBSA-N 0 1 252.358 3.649 20 0 CHADMN Cc1occc1CN(C)Cc1ccc(OC(F)F)cc1 ZINC000055055259 1125530364 /nfs/dbraw/zinc/53/03/64/1125530364.db2.gz ZVOIVCKKABKPFW-UHFFFAOYSA-N 0 1 281.302 3.821 20 0 CHADMN CC[C@H](C)CN[C@@H](c1nccs1)c1ccccc1 ZINC000119410013 1125534387 /nfs/dbraw/zinc/53/43/87/1125534387.db2.gz UTYJRXUGXSIEDA-GXTWGEPZSA-N 0 1 260.406 3.868 20 0 CHADMN O=C(c1ccn[nH]1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000056363789 1125537345 /nfs/dbraw/zinc/53/73/45/1125537345.db2.gz UFIKBQZMHNUQCS-KRWDZBQOSA-N 0 1 291.354 3.540 20 0 CHADMN CCN(Cc1cncs1)[C@@H](C)c1cccc(OC)c1 ZINC000120153542 1125542503 /nfs/dbraw/zinc/54/25/03/1125542503.db2.gz IBNKXHCOCHQHBD-LBPRGKRZSA-N 0 1 276.405 3.735 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN(C(=O)CC(C)C)C3)[nH]c2c1 ZINC000120203211 1125543172 /nfs/dbraw/zinc/54/31/72/1125543172.db2.gz BLBVZASYMLZXPK-AWEZNQCLSA-N 0 1 299.418 3.623 20 0 CHADMN CCCCN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000031573497 1125547902 /nfs/dbraw/zinc/54/79/02/1125547902.db2.gz NMFRWKCWTNBHHH-CQSZACIVSA-N 0 1 287.325 3.879 20 0 CHADMN COCCCCN(Cc1ccns1)Cc1ccccc1 ZINC000637975107 1129238807 /nfs/dbraw/zinc/23/88/07/1129238807.db2.gz ZZRABHDXEFNKAP-UHFFFAOYSA-N 0 1 290.432 3.572 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000194003239 1125551823 /nfs/dbraw/zinc/55/18/23/1125551823.db2.gz QXVJJRWLVJANII-NEPJUHHUSA-N 0 1 291.345 3.629 20 0 CHADMN CCC[C@@H](C)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000195374577 1125561102 /nfs/dbraw/zinc/56/11/02/1125561102.db2.gz BQIXSKGSOCDPQX-CJNGLKHVSA-N 0 1 299.418 3.971 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)N(CC)CC ZINC000532745609 1125575562 /nfs/dbraw/zinc/57/55/62/1125575562.db2.gz CTCCUQQUZGEKRV-HNNXBMFYSA-N 0 1 296.842 3.591 20 0 CHADMN Fc1cccc(Cl)c1CN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000532747795 1125577800 /nfs/dbraw/zinc/57/78/00/1125577800.db2.gz ITMQOHZWOWIJRN-QWHCGFSZSA-N 0 1 297.801 3.728 20 0 CHADMN c1coc(-c2cccc(NCc3ccc4nc[nH]c4c3)c2)n1 ZINC000532809658 1125583041 /nfs/dbraw/zinc/58/30/41/1125583041.db2.gz NHVUIBVACKORQQ-UHFFFAOYSA-N 0 1 290.326 3.830 20 0 CHADMN CCn1cc(CN2CC[C@H](C)C[C@H]2c2ccc(C)o2)cn1 ZINC000245686962 1125587507 /nfs/dbraw/zinc/58/75/07/1125587507.db2.gz ASTDPWGJFBZNNX-BBRMVZONSA-N 0 1 287.407 3.778 20 0 CHADMN Cc1ccnc(NC[C@]2(C)CCOC3(CCC3)C2)c1 ZINC000884703218 1125589241 /nfs/dbraw/zinc/58/92/41/1125589241.db2.gz UWBMUHAORWKWCM-OAHLLOKOSA-N 0 1 260.381 3.541 20 0 CHADMN Cc1ccc([C@H]2CCCN2CC(=O)c2cccn2C)cc1C ZINC000532926429 1125589261 /nfs/dbraw/zinc/58/92/61/1125589261.db2.gz AYBSQEJZZGVEAQ-QGZVFWFLSA-N 0 1 296.414 3.662 20 0 CHADMN CCCn1cc(CN2CC[C@H](C)C[C@H]2c2ccco2)cn1 ZINC000245713058 1125590641 /nfs/dbraw/zinc/59/06/41/1125590641.db2.gz GIPHHIIKUVLKRJ-HOCLYGCPSA-N 0 1 287.407 3.859 20 0 CHADMN CCn1cc(CN2CC[C@@H](C)[C@H]2c2cccc(F)c2)cn1 ZINC000245705251 1125590884 /nfs/dbraw/zinc/59/08/84/1125590884.db2.gz DZEWCDWLIJWAHV-DYVFJYSZSA-N 0 1 287.382 3.625 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cncc2ccccc21 ZINC000135781083 1125597824 /nfs/dbraw/zinc/59/78/24/1125597824.db2.gz OACYJKXEMMNJDS-NSHDSACASA-N 0 1 281.359 3.690 20 0 CHADMN CCC(CC)n1ccc(CN(C)C2Cc3ccccc3C2)n1 ZINC000533460284 1125607647 /nfs/dbraw/zinc/60/76/47/1125607647.db2.gz YKENWWXKMNHJDK-UHFFFAOYSA-N 0 1 297.446 3.843 20 0 CHADMN CCC[C@@H]1CCCN(Cc2nc3ccccc3n2C)C1 ZINC000533482298 1125610148 /nfs/dbraw/zinc/61/01/48/1125610148.db2.gz LEYXEAUXZXMNJY-CQSZACIVSA-N 0 1 271.408 3.585 20 0 CHADMN C[C@H](c1ccco1)N(C(=O)c1[nH]nc2ccccc21)C1CC1 ZINC000068210496 1125627414 /nfs/dbraw/zinc/62/74/14/1125627414.db2.gz VCQILWJXRBAJCL-LLVKDONJSA-N 0 1 295.342 3.522 20 0 CHADMN COCc1cccc(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213075387 1125622585 /nfs/dbraw/zinc/62/25/85/1125622585.db2.gz RCSIZENDCGQHTP-UHFFFAOYSA-N 0 1 267.332 3.761 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@H](c3ccccc3)CC2)o1 ZINC000066897677 1125624402 /nfs/dbraw/zinc/62/44/02/1125624402.db2.gz WNDVVJVHGGNMQS-BBRMVZONSA-N 0 1 285.391 3.709 20 0 CHADMN Cc1ncsc1CN(C)Cc1cc(C)cc(C)c1 ZINC000066562554 1125624726 /nfs/dbraw/zinc/62/47/26/1125624726.db2.gz DHEBDYZQUPJCSH-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN CCc1ccc(C[N@@H+](C)[C@H](C)c2ccncc2)cc1 ZINC000067715551 1125625597 /nfs/dbraw/zinc/62/55/97/1125625597.db2.gz SGULQMSTWYILSW-CQSZACIVSA-N 0 1 254.377 3.837 20 0 CHADMN Cc1nc(C)c([C@H](C)N(C)Cc2cccc(F)c2N)s1 ZINC000638059325 1129240942 /nfs/dbraw/zinc/24/09/42/1129240942.db2.gz ZHJBKUKQPVRDRP-JTQLQIEISA-N 0 1 293.411 3.674 20 0 CHADMN CCc1ccc(C[N@@H+](C)[C@@H](C)c2ccncc2)cc1 ZINC000067715550 1125625992 /nfs/dbraw/zinc/62/59/92/1125625992.db2.gz SGULQMSTWYILSW-AWEZNQCLSA-N 0 1 254.377 3.837 20 0 CHADMN Cc1coc(CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000885913962 1125626216 /nfs/dbraw/zinc/62/62/16/1125626216.db2.gz LRDACZGTICGSGZ-CYBMUJFWSA-N 0 1 298.386 3.787 20 0 CHADMN Cc1[nH]nc(CNc2ccc(OCC(F)(F)F)cc2)c1C ZINC000885930946 1125626846 /nfs/dbraw/zinc/62/68/46/1125626846.db2.gz MJONWJJXWIDIOV-UHFFFAOYSA-N 0 1 299.296 3.580 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCC[C@H](C)CC2)n1 ZINC000068838132 1125626897 /nfs/dbraw/zinc/62/68/97/1125626897.db2.gz PRMXCHGTQUHRDT-QWHCGFSZSA-N 0 1 265.401 3.595 20 0 CHADMN CC[C@H](C)Oc1ccc(NCc2n[nH]c(C)c2C)cc1 ZINC000885940074 1125628801 /nfs/dbraw/zinc/62/88/01/1125628801.db2.gz AFVYVYIQMDGTDN-NSHDSACASA-N 0 1 273.380 3.816 20 0 CHADMN CCSc1ccc([C@@H](C)NCc2[nH]nc(C)c2C)cc1 ZINC000885967391 1125631592 /nfs/dbraw/zinc/63/15/92/1125631592.db2.gz NQULWKTYKAFYOQ-CYBMUJFWSA-N 0 1 289.448 3.989 20 0 CHADMN CC[C@H](NCc1n[nH]c(C)c1C)c1ccc(F)cc1F ZINC000885994535 1125633833 /nfs/dbraw/zinc/63/38/33/1125633833.db2.gz OFYJTLHWYGMRIQ-AWEZNQCLSA-N 0 1 279.334 3.546 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1Cc1nccn1C(F)F ZINC000072775910 1125634769 /nfs/dbraw/zinc/63/47/69/1125634769.db2.gz NKFLZRDRIKAISD-NEPJUHHUSA-N 0 1 271.355 3.679 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(F)cc3cccnc32)o1 ZINC000073603180 1125637968 /nfs/dbraw/zinc/63/79/68/1125637968.db2.gz WPQVVWRNLUIKDZ-UHFFFAOYSA-N 0 1 284.334 3.907 20 0 CHADMN Cc1[nH]nc(CNc2ccccc2OC2CCCC2)c1C ZINC000886030868 1125638933 /nfs/dbraw/zinc/63/89/33/1125638933.db2.gz WPBMDSJNKNYOLQ-UHFFFAOYSA-N 0 1 285.391 3.960 20 0 CHADMN Cc1[nH]nc(CNc2cccc(OCC(F)(F)F)c2)c1C ZINC000886030472 1125639278 /nfs/dbraw/zinc/63/92/78/1125639278.db2.gz LJATZTHYXWOXNL-UHFFFAOYSA-N 0 1 299.296 3.580 20 0 CHADMN Cc1[nH]nc(CNc2cccc(Br)c2C)c1C ZINC000886027631 1125640006 /nfs/dbraw/zinc/64/00/06/1125640006.db2.gz HPGWDWIDKXUXSM-UHFFFAOYSA-N 0 1 294.196 3.710 20 0 CHADMN Cc1coc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000886046680 1125640856 /nfs/dbraw/zinc/64/08/56/1125640856.db2.gz LXUKCIMGRKZXGR-CRAIPNDOSA-N 0 1 285.387 3.846 20 0 CHADMN CCS[C@H]1CCCCN([C@H](C)c2nc(C(C)C)no2)C1 ZINC000246542941 1125645232 /nfs/dbraw/zinc/64/52/32/1125645232.db2.gz BURTXPXHEDGLLA-OLZOCXBDSA-N 0 1 297.468 3.862 20 0 CHADMN COc1cc(C)cc(CNCc2cscc2C)c1OC ZINC000886094833 1125645788 /nfs/dbraw/zinc/64/57/88/1125645788.db2.gz ZZCIEYZLDJABED-UHFFFAOYSA-N 0 1 291.416 3.672 20 0 CHADMN Cc1ncc([C@@H](C)N(C)[C@H](C)c2cccc(O)c2)c(C)n1 ZINC000638064623 1129241208 /nfs/dbraw/zinc/24/12/08/1129241208.db2.gz MHEQRBPHXZRLMJ-CHWSQXEVSA-N 0 1 285.391 3.553 20 0 CHADMN CCn1ccnc1CN1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000246719415 1125647208 /nfs/dbraw/zinc/64/72/08/1125647208.db2.gz LQDSDCSCMUIFNW-DOTOQJQBSA-N 0 1 283.419 3.529 20 0 CHADMN CCCc1nc(C)c(CNC/C=C/c2cccc(F)c2)o1 ZINC000886125647 1125652312 /nfs/dbraw/zinc/65/23/12/1125652312.db2.gz XZKNVYHDBPUZET-VMPITWQZSA-N 0 1 288.366 3.878 20 0 CHADMN Cc1cnc(C(C)(C)NC[C@@H]2CCC3(CCC3)CO2)s1 ZINC000886129766 1125653986 /nfs/dbraw/zinc/65/39/86/1125653986.db2.gz NKPLICVEWJQKDG-ZDUSSCGKSA-N 0 1 294.464 3.626 20 0 CHADMN Cc1coc(CN[C@H]2CCCN(C)c3ccccc32)c1 ZINC000886136126 1125655510 /nfs/dbraw/zinc/65/55/10/1125655510.db2.gz GPIAOQGFZUSTBA-INIZCTEOSA-N 0 1 270.376 3.649 20 0 CHADMN CCSCc1ccc(NCc2n[nH]c(C)c2C)cc1 ZINC000886136432 1125655686 /nfs/dbraw/zinc/65/56/86/1125655686.db2.gz NTZOQEVYEUQTOV-UHFFFAOYSA-N 0 1 275.421 3.892 20 0 CHADMN CSCCCN1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000075784831 1125656442 /nfs/dbraw/zinc/65/64/42/1125656442.db2.gz ZRJQJCQGTMNZST-GDBMZVCRSA-N 0 1 279.449 3.510 20 0 CHADMN CCCSc1cccc(NCc2n[nH]c(C)c2C)n1 ZINC000886173476 1125658924 /nfs/dbraw/zinc/65/89/24/1125658924.db2.gz QGRVAADDHYAHLI-UHFFFAOYSA-N 0 1 276.409 3.536 20 0 CHADMN CCSc1ccc(CNCc2cc(C)co2)cc1 ZINC000886185625 1125660047 /nfs/dbraw/zinc/66/00/47/1125660047.db2.gz BCXZMTUCOWEDRZ-UHFFFAOYSA-N 0 1 261.390 3.990 20 0 CHADMN Cc1cccc([C@H]2CCCC[N@@H+]2Cc2nccn2C)c1C ZINC000075999493 1125664173 /nfs/dbraw/zinc/66/41/73/1125664173.db2.gz RRUBSOCXXHGVBG-QGZVFWFLSA-N 0 1 283.419 3.764 20 0 CHADMN Cc1cccc([C@H]2CCCCN2Cc2nccn2C)c1C ZINC000075999493 1125664176 /nfs/dbraw/zinc/66/41/76/1125664176.db2.gz RRUBSOCXXHGVBG-QGZVFWFLSA-N 0 1 283.419 3.764 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2ccncc2)o1 ZINC000076120899 1125669452 /nfs/dbraw/zinc/66/94/52/1125669452.db2.gz RHUNWTVRBZLIQP-CZUORRHYSA-N 0 1 270.376 3.956 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1nccn1Cc1ccccc1 ZINC000076182774 1125670861 /nfs/dbraw/zinc/67/08/61/1125670861.db2.gz SHFMZJLQDIEJOL-JKSUJKDBSA-N 0 1 283.419 3.552 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N1CCS[C@H](C)CC1 ZINC000249037700 1125676979 /nfs/dbraw/zinc/67/69/79/1125676979.db2.gz MWLSKGMLCODFSW-VXGBXAGGSA-N 0 1 276.405 3.716 20 0 CHADMN c1cc2n(c1)CCN(C[C@H]1CCC=CO1)[C@@H]2c1ccccc1 ZINC000249056901 1125677589 /nfs/dbraw/zinc/67/75/89/1125677589.db2.gz YYIPXCXPUMXWFF-IEBWSBKVSA-N 0 1 294.398 3.586 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249727652 1125681837 /nfs/dbraw/zinc/68/18/37/1125681837.db2.gz QXVJJRWLVJANII-NWDGAFQWSA-N 0 1 291.345 3.629 20 0 CHADMN Clc1cccc2c1CC[C@@H]2N[C@H]1CCc2cccnc21 ZINC000886516666 1125682760 /nfs/dbraw/zinc/68/27/60/1125682760.db2.gz SNQMSWVVKLOTPI-HOTGVXAUSA-N 0 1 284.790 3.999 20 0 CHADMN Cc1cccnc1[C@@H](N[C@@H]1CCc2cccnc21)C(C)C ZINC000886528541 1125684511 /nfs/dbraw/zinc/68/45/11/1125684511.db2.gz NVFVKPFMOLVOAH-CVEARBPZSA-N 0 1 281.403 3.759 20 0 CHADMN C/C=C\C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000629376701 1125689769 /nfs/dbraw/zinc/68/97/69/1125689769.db2.gz ZWHLMYXMVFZJLQ-ZRMMWKCHSA-N 0 1 291.366 3.702 20 0 CHADMN C[C@H](C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21)C1CCCCC1 ZINC000629376657 1125689851 /nfs/dbraw/zinc/68/98/51/1125689851.db2.gz JKFPFYBGKFSXOF-SIXLDLHFSA-N 0 1 293.451 3.778 20 0 CHADMN Cc1ccc(-c2noc([C@@H](C)N(C)CC3CC3)n2)cc1F ZINC000077194550 1125690448 /nfs/dbraw/zinc/69/04/48/1125690448.db2.gz JPGXYGKSDWXEHC-LLVKDONJSA-N 0 1 289.354 3.587 20 0 CHADMN Fc1ccc2c(c1)OCCC[C@@H]2N[C@@H]1CCc2cccnc21 ZINC000886580680 1125692491 /nfs/dbraw/zinc/69/24/91/1125692491.db2.gz USIHRISRWZOSRQ-JKSUJKDBSA-N 0 1 298.361 3.712 20 0 CHADMN Cc1cccc2nc(CN3CCC[C@H]4CCCC[C@H]43)cn21 ZINC000251185510 1125694486 /nfs/dbraw/zinc/69/44/86/1125694486.db2.gz XORJBAFAJPGSNG-NVXWUHKLSA-N 0 1 283.419 3.797 20 0 CHADMN FC(F)c1ccc(CN[C@@H]2CCc3cccnc32)cc1 ZINC000886591835 1125695421 /nfs/dbraw/zinc/69/54/21/1125695421.db2.gz CLVQKWNNTBHNOL-CQSZACIVSA-N 0 1 274.314 3.796 20 0 CHADMN CC(C)[C@@H](NCc1ccc(Cl)cc1F)c1cnn(C)c1 ZINC000886594325 1125695566 /nfs/dbraw/zinc/69/55/66/1125695566.db2.gz JZKLOLRNECWERD-OAHLLOKOSA-N 0 1 295.789 3.700 20 0 CHADMN c1ccc([C@@H](N[C@H]2CCc3cccnc32)C2CCC2)nc1 ZINC000886641452 1125700226 /nfs/dbraw/zinc/70/02/26/1125700226.db2.gz JYIOEFOWNDKEOP-WMZOPIPTSA-N 0 1 279.387 3.595 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cccnc21)c1ccc2c(c1)CCCO2 ZINC000886640176 1125701339 /nfs/dbraw/zinc/70/13/39/1125701339.db2.gz TXXMJGSNUROBGR-CXAGYDPISA-N 0 1 294.398 3.745 20 0 CHADMN C[C@@H](CN[C@H](C)c1nc(C(C)(C)C)no1)c1ccccc1 ZINC000237444055 1125715127 /nfs/dbraw/zinc/71/51/27/1125715127.db2.gz GYPZOLDHPVGWON-QWHCGFSZSA-N 0 1 287.407 3.821 20 0 CHADMN Cc1cnn(C)c1CN[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000285343929 1125710213 /nfs/dbraw/zinc/71/02/13/1125710213.db2.gz DCNMUVITBNGVIE-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN CN(C/C=C\c1ccccc1)Cc1ccc([S@](C)=O)cc1 ZINC000254944445 1125718934 /nfs/dbraw/zinc/71/89/34/1125718934.db2.gz NPACZSAYGKBFGD-AVKJRPAMSA-N 0 1 299.439 3.569 20 0 CHADMN COc1ccccc1/C=C\C[N@@H+](C)Cc1ccoc1C ZINC000255285613 1125720508 /nfs/dbraw/zinc/72/05/08/1125720508.db2.gz GPZMGHXLBJTUPB-VURMDHGXSA-N 0 1 271.360 3.742 20 0 CHADMN COc1ccccc1/C=C\CN(C)Cc1ccoc1C ZINC000255285613 1125720515 /nfs/dbraw/zinc/72/05/15/1125720515.db2.gz GPZMGHXLBJTUPB-VURMDHGXSA-N 0 1 271.360 3.742 20 0 CHADMN Cc1ccc2ccccc2c1CN(C)Cc1ccnn1C ZINC000348396889 1125723280 /nfs/dbraw/zinc/72/32/80/1125723280.db2.gz GDFBRRCTIFQFOK-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN CCn1ccnc1CN1CCC[C@H](C(C)(C)C)CC1 ZINC000078759365 1125733143 /nfs/dbraw/zinc/73/31/43/1125733143.db2.gz RIQJVBINQBJNMS-AWEZNQCLSA-N 0 1 263.429 3.551 20 0 CHADMN Cc1nn(C)c(Cl)c1CN(C)C1CCCCCC1 ZINC000037515289 1125724594 /nfs/dbraw/zinc/72/45/94/1125724594.db2.gz BZVXRPMGTMSFRG-UHFFFAOYSA-N 0 1 269.820 3.537 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1cccc(Cl)n1 ZINC000886922092 1125724763 /nfs/dbraw/zinc/72/47/63/1125724763.db2.gz RLPLVNFCYYMRED-AWEZNQCLSA-N 0 1 276.742 3.651 20 0 CHADMN Cc1ccc2nc(N)n(-c3cc(Cl)nc(Cl)c3)c2c1 ZINC001212087922 1125727114 /nfs/dbraw/zinc/72/71/14/1125727114.db2.gz ZGFMFZQNQKHRAB-UHFFFAOYSA-N 0 1 293.157 3.618 20 0 CHADMN Fc1ccccc1[C@@H]1CCN(Cc2cnccc2Cl)C1 ZINC001137237014 1125729439 /nfs/dbraw/zinc/72/94/39/1125729439.db2.gz VBONTCLRYBYPLC-GFCCVEGCSA-N 0 1 290.769 3.864 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@H]2CCc3ccccc32)n[nH]1 ZINC000348401284 1125730146 /nfs/dbraw/zinc/73/01/46/1125730146.db2.gz AZDDTKRPJUJCSG-HUBLWGQQSA-N 0 1 284.407 3.656 20 0 CHADMN C[C@H](N[C@H]1CCO[C@@H]1C)c1nc(-c2ccccc2)cs1 ZINC000089553681 1125735274 /nfs/dbraw/zinc/73/52/74/1125735274.db2.gz PVKYHUSWHRWPKV-SCRDCRAPSA-N 0 1 288.416 3.638 20 0 CHADMN C[C@H](CC1CCCCC1)c1nc(C2(N)CCCC2)no1 ZINC000261662210 1125736613 /nfs/dbraw/zinc/73/66/13/1125736613.db2.gz FRUDHGWUUXDFSS-GFCCVEGCSA-N 0 1 277.412 3.872 20 0 CHADMN CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC3(C)C)c2C1 ZINC000162219222 1125744211 /nfs/dbraw/zinc/74/42/11/1125744211.db2.gz QFJJSXIJWVREFW-HNNXBMFYSA-N 0 1 286.419 3.643 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)[C@@H]3CC3(C)C)c2C1 ZINC000162219222 1125744216 /nfs/dbraw/zinc/74/42/16/1125744216.db2.gz QFJJSXIJWVREFW-HNNXBMFYSA-N 0 1 286.419 3.643 20 0 CHADMN CC[C@H](N[C@H](C)c1nc2ccccc2n1C)c1ccncc1 ZINC000091346559 1125749386 /nfs/dbraw/zinc/74/93/86/1125749386.db2.gz HLIKXUXDHHLWBG-HIFRSBDPSA-N 0 1 294.402 3.770 20 0 CHADMN Cc1noc(C)c1CN1Cc2ccccc2OC2(CCC2)C1 ZINC000887149926 1125755008 /nfs/dbraw/zinc/75/50/08/1125755008.db2.gz PTBOLHLZOMXYJN-UHFFFAOYSA-N 0 1 298.386 3.609 20 0 CHADMN C[C@@H](c1ccncc1)N1Cc2ccccc2OC2(CCC2)C1 ZINC000887151063 1125756189 /nfs/dbraw/zinc/75/61/89/1125756189.db2.gz IEVPZXOYCVCMPS-HNNXBMFYSA-N 0 1 294.398 3.960 20 0 CHADMN CC(C)c1ncc(CN2C[C@@H]3CCCC[C@@H]32)s1 ZINC000826538432 1125756892 /nfs/dbraw/zinc/75/68/92/1125756892.db2.gz FFOCGRDKWQRZDW-AAEUAGOBSA-N 0 1 250.411 3.641 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)C=C3CCC3)c2C1 ZINC000092407724 1125756912 /nfs/dbraw/zinc/75/69/12/1125756912.db2.gz QJXIEQXORXQXKH-UHFFFAOYSA-N 0 1 284.403 3.707 20 0 CHADMN COc1cc(C[N@@H+](C)Cc2occc2C)ccc1SC ZINC000092674450 1125760428 /nfs/dbraw/zinc/76/04/28/1125760428.db2.gz FNCKVQNNHLTWRV-UHFFFAOYSA-N 0 1 291.416 3.951 20 0 CHADMN COc1cc(CN(C)Cc2occc2C)ccc1SC ZINC000092674450 1125760430 /nfs/dbraw/zinc/76/04/30/1125760430.db2.gz FNCKVQNNHLTWRV-UHFFFAOYSA-N 0 1 291.416 3.951 20 0 CHADMN Cc1ccc(CN(Cc2cncs2)C(C)C)s1 ZINC000092485245 1125758909 /nfs/dbraw/zinc/75/89/09/1125758909.db2.gz ZFAWAFITZUOXCK-UHFFFAOYSA-N 0 1 266.435 3.924 20 0 CHADMN C[C@H](N[C@H]1CCCOc2ccccc21)c1cccnc1 ZINC000092743700 1125761706 /nfs/dbraw/zinc/76/17/06/1125761706.db2.gz ZHWHAAVJJHCHQH-BBRMVZONSA-N 0 1 268.360 3.646 20 0 CHADMN Cc1cccnc1CN(C)Cc1cccc(Cl)c1 ZINC000093158547 1125763922 /nfs/dbraw/zinc/76/39/22/1125763922.db2.gz ZCVBPJHUEPNQSU-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN CC[C@@H](C)CN[C@H](c1ccccn1)c1ccccc1OC ZINC000093111438 1125765452 /nfs/dbraw/zinc/76/54/52/1125765452.db2.gz TURUWXZVOZDRCK-KDOFPFPSSA-N 0 1 284.403 3.815 20 0 CHADMN Cc1ccc(CN2CCC[C@H](OCC(F)(F)F)C2)s1 ZINC000536645323 1125768504 /nfs/dbraw/zinc/76/85/04/1125768504.db2.gz JNDSHVJYPJCZCW-NSHDSACASA-N 0 1 293.354 3.600 20 0 CHADMN CCOc1cccc(CN(CC)Cc2ccccn2)c1 ZINC000093338619 1125765625 /nfs/dbraw/zinc/76/56/25/1125765625.db2.gz PIXAUXKBRUJSJM-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN C[C@@H](COc1ccc(F)cc1F)N[C@@H](C)c1nccs1 ZINC000093400713 1125767952 /nfs/dbraw/zinc/76/79/52/1125767952.db2.gz JVWOKVWOUCBCDS-UWVGGRQHSA-N 0 1 298.358 3.539 20 0 CHADMN C[C@H](NCCSCc1ccccc1F)c1nccs1 ZINC000093369912 1125767975 /nfs/dbraw/zinc/76/79/75/1125767975.db2.gz MQCQGAJYKVSNDA-NSHDSACASA-N 0 1 296.436 3.866 20 0 CHADMN CCN(Cc1ccc(C)c(F)c1)Cc1ccccn1 ZINC000093338946 1125768879 /nfs/dbraw/zinc/76/88/79/1125768879.db2.gz LCHIKGVARYYXMU-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN C[C@H](N[C@H]1CCC1(C)C)c1ncc(Br)s1 ZINC000287136795 1125770342 /nfs/dbraw/zinc/77/03/42/1125770342.db2.gz RZLPFWAISAZVJR-YUMQZZPRSA-N 0 1 289.242 3.745 20 0 CHADMN Clc1ccncc1CN1CCC2(C1)CCCCC2 ZINC001137240919 1125773252 /nfs/dbraw/zinc/77/32/52/1125773252.db2.gz ZENSUWKNQLXSQK-UHFFFAOYSA-N 0 1 264.800 3.891 20 0 CHADMN C[C@@H](CC(c1ccccc1)c1ccccc1)N1CCOCC1 ZINC000139982046 1125782454 /nfs/dbraw/zinc/78/24/54/1125782454.db2.gz VWWFWWPIVDCWBX-KRWDZBQOSA-N 0 1 295.426 3.929 20 0 CHADMN Fc1cc(-c2ccncc2)ccc1CNC1CC(F)(F)C1 ZINC000428649228 1125785027 /nfs/dbraw/zinc/78/50/27/1125785027.db2.gz KGEJTJILSOBLRS-UHFFFAOYSA-N 0 1 292.304 3.775 20 0 CHADMN CN(C(=O)c1cc(C2CCCCC2)[nH]n1)C1(C)CCCC1 ZINC000428660492 1125785614 /nfs/dbraw/zinc/78/56/14/1125785614.db2.gz NFMIKAWIIOHBPS-UHFFFAOYSA-N 0 1 289.423 3.862 20 0 CHADMN COC1(C)CCN(Cc2ccc(F)cc2OC(C)C)CC1 ZINC001238694646 1131232106 /nfs/dbraw/zinc/23/21/06/1131232106.db2.gz JIYVBRQNTZGPBF-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN Cc1cccc(CNCc2cnc(Cl)s2)c1C ZINC000718188157 1129257604 /nfs/dbraw/zinc/25/76/04/1129257604.db2.gz WFBXNVLQBZWGIR-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN CCCCC[C@H](C)CC(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795437847 1129280078 /nfs/dbraw/zinc/28/00/78/1129280078.db2.gz SVOFQCJILTZBGN-LBPRGKRZSA-N 0 1 281.400 3.578 20 0 CHADMN CCCCC[C@H](C)CC(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795437847 1129280082 /nfs/dbraw/zinc/28/00/82/1129280082.db2.gz SVOFQCJILTZBGN-LBPRGKRZSA-N 0 1 281.400 3.578 20 0 CHADMN CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccns1 ZINC000639188094 1129290661 /nfs/dbraw/zinc/29/06/61/1129290661.db2.gz QBFCNIFSVDHKSF-HNNXBMFYSA-N 0 1 276.405 3.735 20 0 CHADMN CC[C@@H](c1cccc(OC)c1)N(C)Cc1ccns1 ZINC000639188094 1129290663 /nfs/dbraw/zinc/29/06/63/1129290663.db2.gz QBFCNIFSVDHKSF-HNNXBMFYSA-N 0 1 276.405 3.735 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CCCOC(C)(C)C1 ZINC001238700619 1131234475 /nfs/dbraw/zinc/23/44/75/1131234475.db2.gz DFPGXNDHDCWADA-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN C[C@@H]1CSCCN1Cc1ccc(SC(F)F)cc1 ZINC000738340709 1129391956 /nfs/dbraw/zinc/39/19/56/1129391956.db2.gz OMSLDJISTJSAJP-SNVBAGLBSA-N 0 1 289.416 3.939 20 0 CHADMN C[C@@H](NC1CCC(OC2CCCC2)CC1)C(F)F ZINC000641791771 1129393445 /nfs/dbraw/zinc/39/34/45/1129393445.db2.gz MZUQWFMIINRXIP-XSRFYTQQSA-N 0 1 261.356 3.500 20 0 CHADMN COCc1csc(CN2CC(C)(c3ccccc3)C2)c1 ZINC000621736116 1129188379 /nfs/dbraw/zinc/18/83/79/1129188379.db2.gz ZGDOWBWUPGQMLT-UHFFFAOYSA-N 0 1 287.428 3.668 20 0 CHADMN CC(C)COC[C@@H](NCC1=CCCC1)c1ccco1 ZINC000645853367 1129510046 /nfs/dbraw/zinc/51/00/46/1129510046.db2.gz DYECRJFJFOGWRU-OAHLLOKOSA-N 0 1 263.381 3.693 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CC(C)(c2ccccc2)C1 ZINC000621735300 1129188924 /nfs/dbraw/zinc/18/89/24/1129188924.db2.gz GMEPZDMLFAPZAT-UHFFFAOYSA-N 0 1 283.419 3.546 20 0 CHADMN c1coc(-c2ncc(CN3CC(CC4CC4)C3)s2)c1 ZINC000621740252 1129189296 /nfs/dbraw/zinc/18/92/96/1129189296.db2.gz GKKDZLLWRLUICU-UHFFFAOYSA-N 0 1 274.389 3.635 20 0 CHADMN CSc1ncc(C)cc1CN1CCc2ccc(C)cc2C1 ZINC001238713390 1131235098 /nfs/dbraw/zinc/23/50/98/1131235098.db2.gz NVFLEMDUWASKAC-UHFFFAOYSA-N 0 1 298.455 3.979 20 0 CHADMN CC(C)CSCCCN1CCc2cccc(F)c2C1 ZINC001168893850 1129680771 /nfs/dbraw/zinc/68/07/71/1129680771.db2.gz MPECKVIGWLFXTG-UHFFFAOYSA-N 0 1 281.440 3.963 20 0 CHADMN CCOC(=O)[C@H](C)[N@@H+](CCC1CCCCCC1)C1CC1 ZINC001169341982 1129719079 /nfs/dbraw/zinc/71/90/79/1129719079.db2.gz ILLJBPNMFGWCHU-AWEZNQCLSA-N 0 1 281.440 3.763 20 0 CHADMN CCOC(=O)[C@H](C)N(CCC1CCCCCC1)C1CC1 ZINC001169341982 1129719082 /nfs/dbraw/zinc/71/90/82/1129719082.db2.gz ILLJBPNMFGWCHU-AWEZNQCLSA-N 0 1 281.440 3.763 20 0 CHADMN C[C@H](CSc1ccccc1)N(C)Cc1cncs1 ZINC000651875524 1129751653 /nfs/dbraw/zinc/75/16/53/1129751653.db2.gz LVOFLFMGPGCWNW-GFCCVEGCSA-N 0 1 278.446 3.756 20 0 CHADMN C[C@@H](c1ccco1)c1noc([C@H](C)N2[C@H](C)CC[C@H]2C)n1 ZINC000621795203 1129195909 /nfs/dbraw/zinc/19/59/09/1129195909.db2.gz DESPBEOTMLLNTF-NDBYEHHHSA-N 0 1 289.379 3.748 20 0 CHADMN CC(C)(C)c1ncc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)s1 ZINC000652063066 1129757712 /nfs/dbraw/zinc/75/77/12/1129757712.db2.gz CWGYNVTZTPXJSQ-CYBMUJFWSA-N 0 1 286.391 3.672 20 0 CHADMN CC(C)(C)c1ncc(CN2CC[C@@]3(CC3(F)F)C2)s1 ZINC000652063066 1129757714 /nfs/dbraw/zinc/75/77/14/1129757714.db2.gz CWGYNVTZTPXJSQ-CYBMUJFWSA-N 0 1 286.391 3.672 20 0 CHADMN CC[C@H](C)[C@@H](CN[C@H](C)c1c(F)cccc1F)OC ZINC000381261587 1129836750 /nfs/dbraw/zinc/83/67/50/1129836750.db2.gz FAPGHVJFJJBRIW-MISXGVKJSA-N 0 1 271.351 3.677 20 0 CHADMN C[C@H](CNCc1ncc(Cl)s1)c1cccc(F)c1 ZINC000769910068 1129929409 /nfs/dbraw/zinc/92/94/09/1129929409.db2.gz RNOOOQNUAOLMAM-SECBINFHSA-N 0 1 284.787 3.829 20 0 CHADMN CCc1oc(C[N@@H+]([C@@H](C)C(C)C)C2CC2)cc1C(=O)[O-] ZINC000901417861 1129922824 /nfs/dbraw/zinc/92/28/24/1129922824.db2.gz VWRCZQFAFCETRW-NSHDSACASA-N 0 1 279.380 3.549 20 0 CHADMN CCSc1cccc(C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000902022857 1129972055 /nfs/dbraw/zinc/97/20/55/1129972055.db2.gz SRNSBSYVGBXJCA-HNNXBMFYSA-N 0 1 295.448 3.730 20 0 CHADMN CSc1ncc(C)cc1CN1CCC(C(F)F)CC1 ZINC001238717265 1131236711 /nfs/dbraw/zinc/23/67/11/1131236711.db2.gz BBMFVDDJUQOUDY-UHFFFAOYSA-N 0 1 286.391 3.589 20 0 CHADMN Cc1cc(F)ccc1-c1nc[nH]c2nc(=S)sc1-2 ZINC001239738495 1130081754 /nfs/dbraw/zinc/08/17/54/1130081754.db2.gz ZMUHWBMPBIALLM-UHFFFAOYSA-N 0 1 277.349 3.815 20 0 CHADMN Cc1cccc(NC(=O)CN[C@H](C)c2cccs2)c1C ZINC000192868023 1126706087 /nfs/dbraw/zinc/70/60/87/1126706087.db2.gz MDDGEJUUFHQZHN-CYBMUJFWSA-N 0 1 288.416 3.654 20 0 CHADMN COc1cccc([C@H](C)N[C@H](C)c2ccncc2F)c1 ZINC000338006413 1126708590 /nfs/dbraw/zinc/70/85/90/1126708590.db2.gz BOLDERLKXCOBNG-NWDGAFQWSA-N 0 1 274.339 3.641 20 0 CHADMN CC(C)(C)c1nnc(CN[C@@H]2CC[C@@H]2C2CCC2)s1 ZINC000338003878 1126708894 /nfs/dbraw/zinc/70/88/94/1126708894.db2.gz WRIKZDXJKSWJRR-VXGBXAGGSA-N 0 1 279.453 3.504 20 0 CHADMN CC(C)CC[C@@H](O)CN(C)[C@@H](C)c1cc(F)ccc1F ZINC000481723360 1126709131 /nfs/dbraw/zinc/70/91/31/1126709131.db2.gz APTBFOWADMATCW-GXTWGEPZSA-N 0 1 285.378 3.755 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(F)c1)c1ccncc1F ZINC000338007762 1126709184 /nfs/dbraw/zinc/70/91/84/1126709184.db2.gz BUUAYFFHFLBURR-WDEREUQCSA-N 0 1 262.303 3.772 20 0 CHADMN COc1cccc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000481727709 1126709680 /nfs/dbraw/zinc/70/96/80/1126709680.db2.gz JFEFUWKYNGKELW-SMDDNHRTSA-N 0 1 287.325 3.858 20 0 CHADMN COc1cccc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000481727708 1126709723 /nfs/dbraw/zinc/70/97/23/1126709723.db2.gz JFEFUWKYNGKELW-RISCZKNCSA-N 0 1 287.325 3.858 20 0 CHADMN Cc1cccc([C@H](C)N[C@H](C)c2ccncc2F)c1 ZINC000338013661 1126710354 /nfs/dbraw/zinc/71/03/54/1126710354.db2.gz FMTFZTHOUOGHJJ-QWHCGFSZSA-N 0 1 258.340 3.941 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@H](C)c1ccncc1F ZINC000338015416 1126710530 /nfs/dbraw/zinc/71/05/30/1126710530.db2.gz SLKVMXRZDPDFKK-CHWSQXEVSA-N 0 1 258.340 3.941 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccncc2F)cc1 ZINC000338012903 1126710563 /nfs/dbraw/zinc/71/05/63/1126710563.db2.gz BSFGGGSSZATWGA-CHWSQXEVSA-N 0 1 258.340 3.941 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(F)cc1 ZINC000481742832 1126711770 /nfs/dbraw/zinc/71/17/70/1126711770.db2.gz WVNMNNXEJTWYGN-GWCFXTLKSA-N 0 1 275.289 3.989 20 0 CHADMN CCOc1ccc(CN(C)[C@H](C)c2ccccn2)c(C)c1 ZINC000667948526 1126715246 /nfs/dbraw/zinc/71/52/46/1126715246.db2.gz CEWMWOZTPBYEKA-OAHLLOKOSA-N 0 1 284.403 3.982 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@@H](C)c1ccncc1F)CC2 ZINC000338026921 1126712823 /nfs/dbraw/zinc/71/28/23/1126712823.db2.gz LEWXCJQZDSOHSF-APPDUMDISA-N 0 1 286.350 3.567 20 0 CHADMN c1cc(-c2noc([C@@H]3NCC[C@@H]4CCCC[C@H]34)n2)cs1 ZINC000899993691 1126720666 /nfs/dbraw/zinc/72/06/66/1126720666.db2.gz LPQIQVMNRQDARQ-WCFLWFBJSA-N 0 1 289.404 3.639 20 0 CHADMN CCc1nc([C@H](C)SCc2cccc3cccnc32)n[nH]1 ZINC000600588951 1126721564 /nfs/dbraw/zinc/72/15/64/1126721564.db2.gz CGVBMMCSDMKGBI-NSHDSACASA-N 0 1 298.415 3.910 20 0 CHADMN CC[N@@H+](Cc1cccs1)Cc1cccc2c1OCCO2 ZINC000338203203 1126723692 /nfs/dbraw/zinc/72/36/92/1126723692.db2.gz FMUBZOORFILDPT-UHFFFAOYSA-N 0 1 289.400 3.541 20 0 CHADMN CCc1nc([C@@H](C)S[C@@H](C)c2ccccc2)n[nH]1 ZINC000600603559 1126722213 /nfs/dbraw/zinc/72/22/13/1126722213.db2.gz MLZJAUHPZDENLT-WDEREUQCSA-N 0 1 261.394 3.923 20 0 CHADMN c1cc(CN[C@H](Cc2ccccn2)c2cccnc2)cs1 ZINC000338185679 1126722501 /nfs/dbraw/zinc/72/25/01/1126722501.db2.gz DMULDQVJXGMTIY-QGZVFWFLSA-N 0 1 295.411 3.612 20 0 CHADMN c1ccc(Cc2noc([C@@H]3NCC[C@@H]4CCCC[C@@H]34)n2)cc1 ZINC000899995256 1126722705 /nfs/dbraw/zinc/72/27/05/1126722705.db2.gz XNZCWEMHYWLCBE-ZMSDIMECSA-N 0 1 297.402 3.501 20 0 CHADMN Cn1ccc(CNCc2cc(Cl)ccc2Cl)c1 ZINC000338198539 1126722845 /nfs/dbraw/zinc/72/28/45/1126722845.db2.gz YNCMAWZIHOLYBJ-UHFFFAOYSA-N 0 1 269.175 3.622 20 0 CHADMN CCN(Cc1cccs1)Cc1cccc2c1OCCO2 ZINC000338203203 1126723694 /nfs/dbraw/zinc/72/36/94/1126723694.db2.gz FMUBZOORFILDPT-UHFFFAOYSA-N 0 1 289.400 3.541 20 0 CHADMN COc1ccc(CN([C@@H](C)c2ccccc2)C2CC2)nc1 ZINC000338278756 1126730251 /nfs/dbraw/zinc/73/02/51/1126730251.db2.gz OMROQYCWMHGFNT-AWEZNQCLSA-N 0 1 282.387 3.816 20 0 CHADMN CC(C)(C)n1ncnc1CN(CC1CC1)C1CCCCC1 ZINC000338309114 1126732776 /nfs/dbraw/zinc/73/27/76/1126732776.db2.gz VPQCEVYPVHCIKV-UHFFFAOYSA-N 0 1 290.455 3.578 20 0 CHADMN COCc1ccc([C@@H]2CCCN2Cc2ccsc2)o1 ZINC000137080028 1126733932 /nfs/dbraw/zinc/73/39/32/1126733932.db2.gz DRMSWYGUMVOLEL-AWEZNQCLSA-N 0 1 277.389 3.825 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@H](C(C)C)CC2)s1 ZINC000338309994 1126734097 /nfs/dbraw/zinc/73/40/97/1126734097.db2.gz WPNBEHLMBHCTLP-YPMHNXCESA-N 0 1 267.442 3.666 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@@H](C(C)(C)C)C2)s1 ZINC000338342041 1126735782 /nfs/dbraw/zinc/73/57/82/1126735782.db2.gz FFJMXCYHAWOOLS-CMPLNLGQSA-N 0 1 267.442 3.666 20 0 CHADMN COCc1nc(CN(C)[C@H](C)C2CCCCC2)cs1 ZINC000338341579 1126736155 /nfs/dbraw/zinc/73/61/55/1126736155.db2.gz DUYAXYLESDAZQL-GFCCVEGCSA-N 0 1 282.453 3.690 20 0 CHADMN Cc1csc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c1Cl ZINC001137291506 1130307239 /nfs/dbraw/zinc/30/72/39/1130307239.db2.gz VOCKHVZFEGJSDM-LPEHRKFASA-N 0 1 259.777 3.642 20 0 CHADMN CCO[C@@H](C)c1noc(CN(C)[C@H](C)C2CCCCC2)n1 ZINC000338361537 1126738213 /nfs/dbraw/zinc/73/82/13/1126738213.db2.gz UVQYJBXNPCHNAK-OLZOCXBDSA-N 0 1 295.427 3.568 20 0 CHADMN CC[C@H]1CC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000158006778 1126743882 /nfs/dbraw/zinc/74/38/82/1126743882.db2.gz OAFHXVVLQNRKPA-VIFPVBQESA-N 0 1 274.227 3.743 20 0 CHADMN CC[C@H]1CCN(Cc2ccc(Br)s2)C1 ZINC000158006778 1126743886 /nfs/dbraw/zinc/74/38/86/1126743886.db2.gz OAFHXVVLQNRKPA-VIFPVBQESA-N 0 1 274.227 3.743 20 0 CHADMN Cc1cc2[nH]c(CN3CCSC[C@@H]3C)cc2c(C)c1 ZINC000482022643 1126739902 /nfs/dbraw/zinc/73/99/02/1126739902.db2.gz SJSYADKLOXBJDC-ZDUSSCGKSA-N 0 1 274.433 3.722 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000348483899 1126740232 /nfs/dbraw/zinc/74/02/32/1126740232.db2.gz PSTXEHKXJQAJHL-CJNGLKHVSA-N 0 1 299.418 3.912 20 0 CHADMN CCS[C@@H]1CCC[C@@H]1NCc1nc2ccccc2o1 ZINC000348483787 1126740311 /nfs/dbraw/zinc/74/03/11/1126740311.db2.gz ZZSGNCGUFWLOGK-GXTWGEPZSA-N 0 1 276.405 3.592 20 0 CHADMN CCCCC[C@H](OCCN1CCN(C)CC1)[C@H](C)CCC ZINC001224548587 1126744965 /nfs/dbraw/zinc/74/49/65/1126744965.db2.gz DDEMBTKVADAZPA-MSOLQXFVSA-N 0 1 298.515 3.636 20 0 CHADMN Cc1cc2cc([C@@H](C)NCc3cnn(C)c3)oc2cc1C ZINC000151147059 1126750423 /nfs/dbraw/zinc/75/04/23/1126750423.db2.gz RGFHBEGVUZAMPX-CYBMUJFWSA-N 0 1 283.375 3.634 20 0 CHADMN Cc1c(Br)cncc1CN1CC[C@H]2CCC[C@@H]21 ZINC000668013334 1126753448 /nfs/dbraw/zinc/75/34/48/1126753448.db2.gz VOXKEURYBMZFQX-RISCZKNCSA-N 0 1 295.224 3.527 20 0 CHADMN COC(=O)c1ccc(Cl)c(CN2CCCC23CCC3)c1 ZINC000482456911 1126756676 /nfs/dbraw/zinc/75/66/76/1126756676.db2.gz UBFYKPXNWBOXIM-UHFFFAOYSA-N 0 1 293.794 3.645 20 0 CHADMN CC1=C(C)CN(Cc2cnc(CC(C)C)s2)CC1 ZINC000482457099 1126756757 /nfs/dbraw/zinc/75/67/57/1126756757.db2.gz JGMNLNLGYUIDJW-UHFFFAOYSA-N 0 1 264.438 3.884 20 0 CHADMN CCCc1cc(C(=O)N(C)[C@H]2CCC[C@@H]2C(C)(C)C)n[nH]1 ZINC000668039378 1126755398 /nfs/dbraw/zinc/75/53/98/1126755398.db2.gz KEWZSHQTKBFXCW-ZFWWWQNUSA-N 0 1 291.439 3.649 20 0 CHADMN C[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000429565275 1126761262 /nfs/dbraw/zinc/76/12/62/1126761262.db2.gz RINBJGLTXILMCG-ZYHUDNBSSA-N 0 1 298.789 3.538 20 0 CHADMN CC[C@H](NC(=O)c1cccc2nc[nH]c21)c1cccs1 ZINC000159090608 1126761282 /nfs/dbraw/zinc/76/12/82/1126761282.db2.gz KEVBZKJZJQEQSZ-NSHDSACASA-N 0 1 285.372 3.506 20 0 CHADMN COCc1cccc(CNC2(c3ccccc3F)CC2)c1 ZINC000174410003 1126769838 /nfs/dbraw/zinc/76/98/38/1126769838.db2.gz NHYGTXTVRZPDPB-UHFFFAOYSA-N 0 1 285.362 3.751 20 0 CHADMN CC[C@](C)(NCc1ccc(OC)cc1)c1nc(C)cs1 ZINC000174501684 1126771134 /nfs/dbraw/zinc/77/11/34/1126771134.db2.gz GGZUMHMSCHCOBC-INIZCTEOSA-N 0 1 290.432 3.875 20 0 CHADMN CCCCCc1cc(C(=O)N(C2CC2)C2CCCC2)n[nH]1 ZINC000668221726 1126773797 /nfs/dbraw/zinc/77/37/97/1126773797.db2.gz IOZGGUQKZIHKDM-UHFFFAOYSA-N 0 1 289.423 3.690 20 0 CHADMN CCOCCCNC1(c2c(Cl)cccc2Cl)CC1 ZINC000678798676 1130456952 /nfs/dbraw/zinc/45/69/52/1130456952.db2.gz JMHKJEHAHJHPGZ-UHFFFAOYSA-N 0 1 288.218 3.999 20 0 CHADMN CCC1(C)CCN(Cc2nc3c(s2)CCC3)CC1 ZINC000678822050 1130460633 /nfs/dbraw/zinc/46/06/33/1130460633.db2.gz QKNLVBUORUTBDN-UHFFFAOYSA-N 0 1 264.438 3.644 20 0 CHADMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@@H](C)C2CC2)[nH]1 ZINC000175266465 1126780139 /nfs/dbraw/zinc/78/01/39/1126780139.db2.gz YGURIHOAHAKEIR-NSHDSACASA-N 0 1 298.390 3.580 20 0 CHADMN Cc1cccc(NC(=O)[C@@H](C)N2CCC(C)=C(C)C2)c1C ZINC000483366936 1126783423 /nfs/dbraw/zinc/78/34/23/1126783423.db2.gz ORIBSGVWQUDFJJ-MRXNPFEDSA-N 0 1 286.419 3.673 20 0 CHADMN C[N@@H+](Cc1cn(C2CCC2)nn1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000668241743 1126785352 /nfs/dbraw/zinc/78/53/52/1126785352.db2.gz NRIBHXQKTTYOMU-HZPDHXFCSA-N 0 1 290.455 3.650 20 0 CHADMN Clc1ncc(CN2CCC[C@H]2C2CCC2)s1 ZINC000175426492 1126782559 /nfs/dbraw/zinc/78/25/59/1126782559.db2.gz HXLOSZOCPUVVGH-NSHDSACASA-N 0 1 256.802 3.561 20 0 CHADMN Cc1cnc(C(C)(C)NCc2sccc2C)s1 ZINC000175982513 1126787598 /nfs/dbraw/zinc/78/75/98/1126787598.db2.gz DPEHIDVRVQTJCU-UHFFFAOYSA-N 0 1 266.435 3.846 20 0 CHADMN CN(Cc1nnc(-c2ccco2)o1)C1CCC(C)(C)CC1 ZINC000176293060 1126789598 /nfs/dbraw/zinc/78/95/98/1126789598.db2.gz XOQFVERMSXKBPP-UHFFFAOYSA-N 0 1 289.379 3.730 20 0 CHADMN COc1ccc(OC)c(CNC2(c3ccccc3)CCC2)c1 ZINC000065275674 1126793476 /nfs/dbraw/zinc/79/34/76/1126793476.db2.gz IAMAPQFXZGJAPL-UHFFFAOYSA-N 0 1 297.398 3.873 20 0 CHADMN C[C@H](CCC(F)(F)F)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000483653998 1126796069 /nfs/dbraw/zinc/79/60/69/1126796069.db2.gz BQWJYZUECNWUHX-BDAKNGLRSA-N 0 1 293.333 3.749 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000177560230 1126802188 /nfs/dbraw/zinc/80/21/88/1126802188.db2.gz SINPKHQUOVSFFG-HEHGZKQESA-N 0 1 297.402 3.886 20 0 CHADMN Cc1ccc2[nH]c(CN[C@@H]3c4ccccc4C[C@H]3C)nc2c1 ZINC000483851920 1126804238 /nfs/dbraw/zinc/80/42/38/1126804238.db2.gz LUCHPYLZLMMCES-YJYMSZOUSA-N 0 1 291.398 3.894 20 0 CHADMN Cc1ccc2nc(CN[C@@H]3c4ccccc4C[C@H]3C)[nH]c2c1 ZINC000483851920 1126804239 /nfs/dbraw/zinc/80/42/39/1126804239.db2.gz LUCHPYLZLMMCES-YJYMSZOUSA-N 0 1 291.398 3.894 20 0 CHADMN Clc1ccc([C@@H](N[C@@H]2CCOC2)c2ccsc2)cc1 ZINC000177917499 1126807309 /nfs/dbraw/zinc/80/73/09/1126807309.db2.gz KWJCYWSCMGDSPF-HUUCEWRRSA-N 0 1 293.819 3.869 20 0 CHADMN c1c(CN2CCC[C@@H]2CC2CCCC2)nnn1C1CCC1 ZINC000668299210 1126807706 /nfs/dbraw/zinc/80/77/06/1126807706.db2.gz XTKNHUYBYUUCSD-QGZVFWFLSA-N 0 1 288.439 3.548 20 0 CHADMN COc1ccc(CN2C[C@@H]3CCCC[C@@H]32)c(Cl)c1OC ZINC000668299746 1126808560 /nfs/dbraw/zinc/80/85/60/1126808560.db2.gz RDIRRLXQGKSTGM-AAEUAGOBSA-N 0 1 295.810 3.732 20 0 CHADMN Fc1cc(CN2C[C@@H]3CCCC[C@@H]32)ccc1OC(F)F ZINC000668299414 1126809052 /nfs/dbraw/zinc/80/90/52/1126809052.db2.gz DFYCSTRSMAIITE-AAEUAGOBSA-N 0 1 285.309 3.802 20 0 CHADMN COCc1ccc(CN2C[C@@H](C(F)(F)F)CC[C@H]2C)o1 ZINC000679584660 1130544192 /nfs/dbraw/zinc/54/41/92/1130544192.db2.gz XRWRYRKGINGWHY-MNOVXSKESA-N 0 1 291.313 3.589 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(Cl)c1 ZINC000161384964 1126812612 /nfs/dbraw/zinc/81/26/12/1126812612.db2.gz ADQLQQZWLQHDFV-CQSZACIVSA-N 0 1 299.773 3.698 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@H]1CCc3ccccc31)CCO2 ZINC000178464672 1126814615 /nfs/dbraw/zinc/81/46/15/1126814615.db2.gz KVZKGEAKQMKSPK-DLBZAZTESA-N 0 1 283.346 3.926 20 0 CHADMN C[C@@H](c1ccccc1F)N1CCC[C@@H](OC(F)F)C1 ZINC000679681696 1130551255 /nfs/dbraw/zinc/55/12/55/1130551255.db2.gz JRWSHCYAVHRQQP-WDEREUQCSA-N 0 1 273.298 3.590 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000178718495 1126819416 /nfs/dbraw/zinc/81/94/16/1126819416.db2.gz PBKGLDAWFQSYNZ-DTWKUNHWSA-N 0 1 297.324 3.558 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(Cl)nc1)c1cccnc1 ZINC000179096413 1126823441 /nfs/dbraw/zinc/82/34/41/1126823441.db2.gz PWQOHEHVHIOLDX-MNOVXSKESA-N 0 1 261.756 3.542 20 0 CHADMN COCc1cccc(CN(C)[C@@H](C)c2ccco2)c1 ZINC000179203979 1126825090 /nfs/dbraw/zinc/82/50/90/1126825090.db2.gz HHQPUTPYBFQYRZ-ZDUSSCGKSA-N 0 1 259.349 3.619 20 0 CHADMN Cc1cccc(Cl)c1NC(=O)CN(CC(C)C)C1CC1 ZINC000179410575 1126827139 /nfs/dbraw/zinc/82/71/39/1126827139.db2.gz YCCBODVVFGLEIM-UHFFFAOYSA-N 0 1 294.826 3.707 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(-c2ccc3ncccc3c2)no1 ZINC000904088590 1126827909 /nfs/dbraw/zinc/82/79/09/1126827909.db2.gz GHBKTCKNUNNRTN-HNNXBMFYSA-N 0 1 296.374 3.591 20 0 CHADMN Cc1ccc(-c2noc([C@@H]3CC[C@@H]4CCCC[C@@H]4N3)n2)o1 ZINC000904108487 1126829362 /nfs/dbraw/zinc/82/93/62/1126829362.db2.gz VYFYGZNEZPDGIX-AVGNSLFASA-N 0 1 287.363 3.621 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1cnccn1)CCC2 ZINC000179526065 1126829522 /nfs/dbraw/zinc/82/95/22/1126829522.db2.gz DQVRXDMJWLSPFZ-BBRMVZONSA-N 0 1 267.376 3.513 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2ccncc2)cc1Cl ZINC000179657842 1126831479 /nfs/dbraw/zinc/83/14/79/1126831479.db2.gz YNEUGVPLTNEWBF-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN CC(C)n1cc(CN2CCC[C@@H]2c2cccs2)cn1 ZINC000179692144 1126832699 /nfs/dbraw/zinc/83/26/99/1126832699.db2.gz RFPWBSSVHGRTOF-CQSZACIVSA-N 0 1 275.421 3.863 20 0 CHADMN COc1cc(CN(Cc2ccsc2)C2CC2)ccc1O ZINC000180069667 1126839863 /nfs/dbraw/zinc/83/98/63/1126839863.db2.gz LEUNMMHIWJJDHZ-UHFFFAOYSA-N 0 1 289.400 3.627 20 0 CHADMN CCN(CCc1ccccc1)Cc1ncc(C)s1 ZINC000180437425 1126843349 /nfs/dbraw/zinc/84/33/49/1126843349.db2.gz SBYXBBQAIPKTSA-UHFFFAOYSA-N 0 1 260.406 3.516 20 0 CHADMN CCCOc1ccc([C@@H](C)NCc2ccc(F)cn2)cc1 ZINC000484808881 1126848193 /nfs/dbraw/zinc/84/81/93/1126848193.db2.gz MIZARMGANFHBLU-CYBMUJFWSA-N 0 1 288.366 3.860 20 0 CHADMN COC[C@H](N[C@H](C)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000180841910 1126848870 /nfs/dbraw/zinc/84/88/70/1126848870.db2.gz FXWYWUQAJZDERP-KDOFPFPSSA-N 0 1 297.398 3.660 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1cnc(Cl)s1 ZINC000181563803 1126858134 /nfs/dbraw/zinc/85/81/34/1126858134.db2.gz FQAIQTJYDJIRSV-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1cccc([C@H](C)NCc2ccc(Cl)cn2)c1 ZINC000182117797 1126866090 /nfs/dbraw/zinc/86/60/90/1126866090.db2.gz VJXULWZZQFUTNO-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN C[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccc(C(C)(C)C)cc1 ZINC000182736946 1126876971 /nfs/dbraw/zinc/87/69/71/1126876971.db2.gz XRBTXFIUHRDLON-GFCCVEGCSA-N 0 1 298.434 3.830 20 0 CHADMN CN(C)Cc1cc(-c2ccc([C@H]3C[C@@H](O)C3)cc2)ccc1F ZINC000904807386 1126877312 /nfs/dbraw/zinc/87/73/12/1126877312.db2.gz YNXRKOMWKJAYGB-MAEOIBBWSA-N 0 1 299.389 3.793 20 0 CHADMN CCN(c1ccc(N[C@H](C)[C@@H]2CCOC2)cc1)C(C)C ZINC000182773619 1126877512 /nfs/dbraw/zinc/87/75/12/1126877512.db2.gz IFTKZZCCHDGPBZ-HUUCEWRRSA-N 0 1 276.424 3.758 20 0 CHADMN Cn1ccnc1[C@H](NCc1ccc(C(C)(C)C)cc1)C1CC1 ZINC000183261226 1126884122 /nfs/dbraw/zinc/88/41/22/1126884122.db2.gz XJUPYCJRBQQDGR-QGZVFWFLSA-N 0 1 297.446 3.959 20 0 CHADMN CCC(CC)C(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000485129818 1126887722 /nfs/dbraw/zinc/88/77/22/1126887722.db2.gz JBVCKDDVPROKIM-UHFFFAOYSA-N 0 1 298.346 3.593 20 0 CHADMN C[C@@H](N[C@@H](C)CC1CC1)c1nc(-c2cccc(F)c2)no1 ZINC000184657418 1126896141 /nfs/dbraw/zinc/89/61/41/1126896141.db2.gz AJHOPCOSPSCHCX-WDEREUQCSA-N 0 1 289.354 3.715 20 0 CHADMN CCC(CC)CN(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000485296438 1126902113 /nfs/dbraw/zinc/90/21/13/1126902113.db2.gz XOYVHQHTVFQBJD-UHFFFAOYSA-N 0 1 271.408 3.945 20 0 CHADMN CCCOCc1ccccc1CN[C@H](C)c1nccnc1C ZINC000187792998 1126915100 /nfs/dbraw/zinc/91/51/00/1126915100.db2.gz IPJGVJJPGXUNHZ-OAHLLOKOSA-N 0 1 299.418 3.562 20 0 CHADMN CCC[C@H](N[C@H](CCO)c1ccco1)c1ccsc1 ZINC000187923536 1126916732 /nfs/dbraw/zinc/91/67/32/1126916732.db2.gz XKHPCQNXAOUXRR-UONOGXRCSA-N 0 1 279.405 3.896 20 0 CHADMN CN(Cc1cncc(F)c1Cl)CC1CCCCC1 ZINC001235496921 1130749474 /nfs/dbraw/zinc/74/94/74/1130749474.db2.gz BDEOMUGHTRWHIR-UHFFFAOYSA-N 0 1 270.779 3.886 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H]1c2ccccc2CC[C@@H]1C ZINC000188285607 1126922253 /nfs/dbraw/zinc/92/22/53/1126922253.db2.gz IOCLDFXJKDVAOY-JDFRZJQESA-N 0 1 281.403 3.759 20 0 CHADMN Cc1cccc([C@@H](O)CN2CC[C@@H]2c2cccc(F)c2)c1 ZINC000905950455 1126923263 /nfs/dbraw/zinc/92/32/63/1126923263.db2.gz OHIBIAIAUBVMGE-MSOLQXFVSA-N 0 1 285.362 3.615 20 0 CHADMN COCC1CCC(Nc2nccc(C)c2C2CC2)CC1 ZINC000668512598 1126924052 /nfs/dbraw/zinc/92/40/52/1126924052.db2.gz SUBVZJGOCAITIC-UHFFFAOYSA-N 0 1 274.408 3.885 20 0 CHADMN Cc1cncc([C@H](C)N[C@H]2CCOc3c(F)cccc32)c1 ZINC000188051679 1126919426 /nfs/dbraw/zinc/91/94/26/1126919426.db2.gz HFMIUTZQDLBBRU-LRDDRELGSA-N 0 1 286.350 3.704 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000188116834 1126920181 /nfs/dbraw/zinc/92/01/81/1126920181.db2.gz XPSMOQUIESMJHR-PPHDSNJXSA-N 0 1 299.393 3.898 20 0 CHADMN CC[C@@H](NCc1cccc(CSC)c1)c1nccn1C ZINC000188720128 1126925358 /nfs/dbraw/zinc/92/53/58/1126925358.db2.gz QTFJDTHUYVPANI-OAHLLOKOSA-N 0 1 289.448 3.524 20 0 CHADMN CSCc1cccc(CN[C@@H](C)c2ccco2)c1 ZINC000188718134 1126925475 /nfs/dbraw/zinc/92/54/75/1126925475.db2.gz DBFBXQVGVCXHMU-LBPRGKRZSA-N 0 1 261.390 3.993 20 0 CHADMN COCC1(C2CCC2)CN(Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000668513635 1126926492 /nfs/dbraw/zinc/92/64/92/1126926492.db2.gz MAIMEAVXYFUNNI-CJNGLKHVSA-N 0 1 289.419 3.652 20 0 CHADMN COCC1(C2CCC2)CN(Cc2cc3c(cccc3C)[nH]2)C1 ZINC000668514878 1126926611 /nfs/dbraw/zinc/92/66/11/1126926611.db2.gz OEJGVVAAVKYGRX-UHFFFAOYSA-N 0 1 298.430 3.725 20 0 CHADMN COc1ccc(F)cc1CNCc1ccc(SC)cc1 ZINC000189199339 1126928996 /nfs/dbraw/zinc/92/89/96/1126928996.db2.gz DKZKGSOIOWCYHV-UHFFFAOYSA-N 0 1 291.391 3.846 20 0 CHADMN CCN(Cc1cncc(C)c1)[C@@H](C)c1cccc(O)c1 ZINC000189916620 1126936064 /nfs/dbraw/zinc/93/60/64/1126936064.db2.gz SXHPSHIFOMXDCX-AWEZNQCLSA-N 0 1 270.376 3.679 20 0 CHADMN C[C@H](NCC[C@@H]1CCCO1)c1ncc(-c2ccccc2)o1 ZINC000189964355 1126936908 /nfs/dbraw/zinc/93/69/08/1126936908.db2.gz HVPHWKIUCDXKDB-ZFWWWQNUSA-N 0 1 286.375 3.561 20 0 CHADMN CCSc1cc(CNCc2ccccc2F)ccn1 ZINC000189582136 1126932678 /nfs/dbraw/zinc/93/26/78/1126932678.db2.gz FENBTPFCOCIIIV-UHFFFAOYSA-N 0 1 276.380 3.623 20 0 CHADMN c1cc2ccc(-c3cnc([C@H]4CCCCN4)nc3)cc2o1 ZINC000906178564 1126934267 /nfs/dbraw/zinc/93/42/67/1126934267.db2.gz PQUQZUOTZVFAOY-OAHLLOKOSA-N 0 1 279.343 3.704 20 0 CHADMN Cc1c(Cl)cccc1-c1cnc([C@@H]2CCCCN2)nc1 ZINC000906183288 1126935215 /nfs/dbraw/zinc/93/52/15/1126935215.db2.gz ZJVCCSOEZDDRPW-HNNXBMFYSA-N 0 1 287.794 3.920 20 0 CHADMN CC[C@@H](C)n1cc(-c2ccc3n[nH]c(C)c3c2)cn1 ZINC000906204053 1126937627 /nfs/dbraw/zinc/93/76/27/1126937627.db2.gz DWUQONDBMXBHQA-SNVBAGLBSA-N 0 1 254.337 3.706 20 0 CHADMN Cc1[nH]nc2ccc(-c3ccc([C@H](O)C4CC4)cc3)cc12 ZINC000906203837 1126937688 /nfs/dbraw/zinc/93/76/88/1126937688.db2.gz DIPAXAXZHZRPRW-SFHVURJKSA-N 0 1 278.355 3.982 20 0 CHADMN C[C@@H]1CSCCN(Cc2csc(-c3ccoc3)n2)C1 ZINC000190392556 1126941670 /nfs/dbraw/zinc/94/16/70/1126941670.db2.gz DKISGHMDMIBBAT-NSHDSACASA-N 0 1 294.445 3.588 20 0 CHADMN c1c2ccccc2sc1CN1CCO[C@H](C2CC2)C1 ZINC000485730819 1126947781 /nfs/dbraw/zinc/94/77/81/1126947781.db2.gz HNKLEMJZYPDWBZ-HNNXBMFYSA-N 0 1 273.401 3.512 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1csc(Cl)c1 ZINC000191204714 1126948842 /nfs/dbraw/zinc/94/88/42/1126948842.db2.gz KVIZCZLYHAPTQT-DYQSUWPFSA-N 0 1 293.819 3.710 20 0 CHADMN CCC[C@@H](NCc1c(C)noc1C)c1ccsc1 ZINC000191220097 1126949626 /nfs/dbraw/zinc/94/96/26/1126949626.db2.gz YSUYQLKAVJVCOD-CQSZACIVSA-N 0 1 264.394 3.984 20 0 CHADMN CC[C@@H](C)CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000190795138 1126944490 /nfs/dbraw/zinc/94/44/90/1126944490.db2.gz JRZKPBSYTINXHE-SECBINFHSA-N 0 1 275.352 3.661 20 0 CHADMN COc1nccc(CN2CCC3(CCCC3)C2)c1Cl ZINC001235842453 1130787251 /nfs/dbraw/zinc/78/72/51/1130787251.db2.gz PVXSLNZVKQPHTN-UHFFFAOYSA-N 0 1 280.799 3.510 20 0 CHADMN C[C@H](CCNCc1cocn1)c1cccc(C(F)(F)F)c1 ZINC000192321576 1126960843 /nfs/dbraw/zinc/96/08/43/1126960843.db2.gz LZOCMUWSGBZROC-LLVKDONJSA-N 0 1 298.308 3.977 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c(O)cccc21)c1ccccn1 ZINC000192354641 1126961186 /nfs/dbraw/zinc/96/11/86/1126961186.db2.gz HPSIWIUJCPNWFM-MLGOLLRUSA-N 0 1 268.360 3.515 20 0 CHADMN CCc1nn(C)c(CC)c1CNCc1cc(Cl)cs1 ZINC000193182567 1126967632 /nfs/dbraw/zinc/96/76/32/1126967632.db2.gz LYNAGXABCGNCPS-UHFFFAOYSA-N 0 1 297.855 3.550 20 0 CHADMN C[C@@H]1[C@H](C)SCCN1Cc1cnc(-c2ccco2)s1 ZINC000194404221 1126974275 /nfs/dbraw/zinc/97/42/75/1126974275.db2.gz QASVUPZLGXWMIH-MNOVXSKESA-N 0 1 294.445 3.729 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(C)c(Cl)c1 ZINC000195441422 1126979262 /nfs/dbraw/zinc/97/92/62/1126979262.db2.gz ALXNRICHJBYTME-LLVKDONJSA-N 0 1 277.799 3.541 20 0 CHADMN Cc1cc2cc[nH]c2cc1NC(=O)C(C)(C)N1CCCCC1 ZINC000907590732 1126980495 /nfs/dbraw/zinc/98/04/95/1126980495.db2.gz PPGVJIXIQCZIOA-UHFFFAOYSA-N 0 1 299.418 3.679 20 0 CHADMN Cc1cnccc1CN(Cc1ccccc1F)CC1CC1 ZINC000668613386 1126981156 /nfs/dbraw/zinc/98/11/56/1126981156.db2.gz QJWIESXQQVCIFM-UHFFFAOYSA-N 0 1 284.378 3.941 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@H](C)c1ccccc1 ZINC000266899093 1126989897 /nfs/dbraw/zinc/98/98/97/1126989897.db2.gz SYQPNSHGUHTTCZ-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN O[C@@H](CN1CCC[C@H]1c1ccc[nH]1)c1cccc(Cl)c1 ZINC000266655371 1126986775 /nfs/dbraw/zinc/98/67/75/1126986775.db2.gz KHRVUBFQJTXFEE-HOTGVXAUSA-N 0 1 290.794 3.539 20 0 CHADMN C/C(=C(/F)C(=O)Nc1cc(Cl)c(O)cc1F)C1CC1 ZINC000908187845 1126995248 /nfs/dbraw/zinc/99/52/48/1126995248.db2.gz LAQWSSIJRYJQKR-SDQBBNPISA-N 0 1 287.693 3.777 20 0 CHADMN CCCCc1noc(C[N@H+]2CCC[C@H]2[C@H](C)CCC)n1 ZINC000486776726 1127001997 /nfs/dbraw/zinc/00/19/97/1127001997.db2.gz CVOZDLQZSDSJLT-KGLIPLIRSA-N 0 1 279.428 3.813 20 0 CHADMN CCCCc1noc(CN2CCC[C@H]2[C@H](C)CCC)n1 ZINC000486776726 1127001999 /nfs/dbraw/zinc/00/19/99/1127001999.db2.gz CVOZDLQZSDSJLT-KGLIPLIRSA-N 0 1 279.428 3.813 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@@](C)(CCc3ccccc3)C2)o1 ZINC000267660594 1127003691 /nfs/dbraw/zinc/00/36/91/1127003691.db2.gz ZHOCAYIIMOHHJK-RDTXWAMCSA-N 0 1 299.418 3.784 20 0 CHADMN CC1=CC[C@@](C)(C(=O)Nc2cccc(-c3nnc[nH]3)c2)CC1 ZINC000668714870 1127013815 /nfs/dbraw/zinc/01/38/15/1127013815.db2.gz DNINEAGZSYVUCJ-QGZVFWFLSA-N 0 1 296.374 3.547 20 0 CHADMN Cc1cscc1CNCc1cnc(C(F)(F)F)s1 ZINC000487200882 1127023584 /nfs/dbraw/zinc/02/35/84/1127023584.db2.gz PTTUJONXHHIQJG-UHFFFAOYSA-N 0 1 292.351 3.822 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)o1 ZINC000268720460 1127021382 /nfs/dbraw/zinc/02/13/82/1127021382.db2.gz KPXSEKQIGGVWJO-CHWSQXEVSA-N 0 1 298.386 3.519 20 0 CHADMN COc1ccsc1CNC1(c2cccc(F)c2)CC1 ZINC000268802373 1127024898 /nfs/dbraw/zinc/02/48/98/1127024898.db2.gz QQBUIRKXKZCUTA-UHFFFAOYSA-N 0 1 277.364 3.675 20 0 CHADMN CC(C)(C)c1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000268827698 1127025833 /nfs/dbraw/zinc/02/58/33/1127025833.db2.gz JUNMLABLGLEWEI-INIZCTEOSA-N 0 1 283.419 3.874 20 0 CHADMN COCCOc1ccccc1CN[C@@H](C)c1ccsc1 ZINC000268828740 1127025905 /nfs/dbraw/zinc/02/59/05/1127025905.db2.gz JWIVXAZORXDVTQ-ZDUSSCGKSA-N 0 1 291.416 3.624 20 0 CHADMN C[C@@H](NCc1cnn(C)c1)c1cc(Cl)cc(Cl)c1 ZINC000268838959 1127025962 /nfs/dbraw/zinc/02/59/62/1127025962.db2.gz MRSXYLMBXISLBR-SECBINFHSA-N 0 1 284.190 3.578 20 0 CHADMN Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000268839881 1127026140 /nfs/dbraw/zinc/02/61/40/1127026140.db2.gz VIFUBIYOXWXHHB-AWEZNQCLSA-N 0 1 295.386 3.802 20 0 CHADMN C[C@H](NCc1cc(F)ccc1F)c1ccc2c(c1)COC2 ZINC000268901281 1127027696 /nfs/dbraw/zinc/02/76/96/1127027696.db2.gz RCMUARBFUBPICN-NSHDSACASA-N 0 1 289.325 3.846 20 0 CHADMN CN(Cc1cnc(C2CCC2)s1)CC1=CCSC1 ZINC000668774966 1127029349 /nfs/dbraw/zinc/02/93/49/1127029349.db2.gz MVGFBEKOSFKQFR-UHFFFAOYSA-N 0 1 280.462 3.516 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc(F)cn2)c(C)c1 ZINC000269035688 1127033450 /nfs/dbraw/zinc/03/34/50/1127033450.db2.gz VOBMZOAEODUCOB-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccccc1)c1ccc(F)cc1F ZINC000268984239 1127030572 /nfs/dbraw/zinc/03/05/72/1127030572.db2.gz LCUFSSSWFJUMIQ-YVEFUNNKSA-N 0 1 291.341 3.739 20 0 CHADMN CCCCC[C@H](C)CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268976779 1127031049 /nfs/dbraw/zinc/03/10/49/1127031049.db2.gz MPRNWNJSLKDJTM-GXTWGEPZSA-N 0 1 277.412 3.510 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(F)cn2)ccc1F ZINC000269000233 1127031389 /nfs/dbraw/zinc/03/13/89/1127031389.db2.gz JDPORUMYBKEJCX-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN CN(Cc1nc2cc(C(F)(F)F)ccc2o1)C1CCC1 ZINC000269012359 1127032778 /nfs/dbraw/zinc/03/27/78/1127032778.db2.gz NBYCCQMIJOGLSR-UHFFFAOYSA-N 0 1 284.281 3.831 20 0 CHADMN C[C@@H](N[C@@H]1CCc2c1cccc2F)c1cncc(F)c1 ZINC000269011393 1127032889 /nfs/dbraw/zinc/03/28/89/1127032889.db2.gz NOWCXUWETKNLEQ-QLJPJBMISA-N 0 1 274.314 3.698 20 0 CHADMN C[C@H](N[C@@H](C)[C@@H]1CC1(C)C)c1noc(-c2ccccc2)n1 ZINC000487316123 1127033044 /nfs/dbraw/zinc/03/30/44/1127033044.db2.gz BVRVDRJCZBBRQY-OBJOEFQTSA-N 0 1 285.391 3.822 20 0 CHADMN Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000269615742 1127043842 /nfs/dbraw/zinc/04/38/42/1127043842.db2.gz LPMGWRCFDFCKHR-VXGBXAGGSA-N 0 1 297.383 3.675 20 0 CHADMN Cc1ccncc1CN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000269589978 1127042466 /nfs/dbraw/zinc/04/24/66/1127042466.db2.gz HWJBXYCVBRJCGD-WMLDXEAASA-N 0 1 252.361 3.583 20 0 CHADMN CCOc1ccc(-c2nc(CN3CC[C@@H](C)C3)co2)cc1 ZINC000269605301 1127042547 /nfs/dbraw/zinc/04/25/47/1127042547.db2.gz WZINZZCHBZOEBS-CYBMUJFWSA-N 0 1 286.375 3.582 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2CCc3c2c(F)ccc3F)s1 ZINC000269894732 1127047370 /nfs/dbraw/zinc/04/73/70/1127047370.db2.gz DXYLEONXXSLSEM-CYBMUJFWSA-N 0 1 294.370 3.815 20 0 CHADMN CC1(C)CCCN1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000487913745 1127048415 /nfs/dbraw/zinc/04/84/15/1127048415.db2.gz NHKKFGGTHCUVAG-UHFFFAOYSA-N 0 1 291.345 3.525 20 0 CHADMN Cc1cc(Cl)nc(Cl)c1C[N@@H+](C)CCC1CC1 ZINC001236611012 1130981742 /nfs/dbraw/zinc/98/17/42/1130981742.db2.gz KLLPOMSFSNBEJU-UHFFFAOYSA-N 0 1 273.207 3.929 20 0 CHADMN Cc1cc(Cl)nc(Cl)c1CN(C)CCC1CC1 ZINC001236611012 1130981746 /nfs/dbraw/zinc/98/17/46/1130981746.db2.gz KLLPOMSFSNBEJU-UHFFFAOYSA-N 0 1 273.207 3.929 20 0 CHADMN CCCc1nc(CN(CCOC)[C@H]2CCC[C@H]2C)cs1 ZINC000487951960 1127050250 /nfs/dbraw/zinc/05/02/50/1127050250.db2.gz IEKPDTWECVDVPU-HIFRSBDPSA-N 0 1 296.480 3.733 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@@H](C)c1cncnc1C ZINC000569940588 1127050518 /nfs/dbraw/zinc/05/05/18/1127050518.db2.gz GRDAKKIUAAYTOC-OLZOCXBDSA-N 0 1 287.432 3.919 20 0 CHADMN COc1cc(CN[C@H](C)c2cc(O)cc(F)c2)ccc1C ZINC000924829881 1127054544 /nfs/dbraw/zinc/05/45/44/1127054544.db2.gz UISIJFPFKVNVMW-GFCCVEGCSA-N 0 1 289.350 3.699 20 0 CHADMN CCC(C)(C)N(C)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000270546093 1127057473 /nfs/dbraw/zinc/05/74/73/1127057473.db2.gz SMBMPMHZEVZJFW-UHFFFAOYSA-N 0 1 293.436 3.634 20 0 CHADMN C[C@H]1CSCCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000488198795 1127061763 /nfs/dbraw/zinc/06/17/63/1127061763.db2.gz KAFCFVYDSOEOSV-SNVBAGLBSA-N 0 1 273.804 3.664 20 0 CHADMN C[C@@H](CN[C@@H](C)c1cscn1)Sc1ccccc1 ZINC000271022449 1127065153 /nfs/dbraw/zinc/06/51/53/1127065153.db2.gz AOUUVMVRIIGQDN-RYUDHWBXSA-N 0 1 278.446 3.975 20 0 CHADMN C[C@H]1COC(C)(C)CN1Cc1csc2ccccc12 ZINC000488252362 1127065302 /nfs/dbraw/zinc/06/53/02/1127065302.db2.gz NQUPRCQESAGGPT-LBPRGKRZSA-N 0 1 275.417 3.901 20 0 CHADMN COCCN(Cc1scnc1C)[C@H](C)c1ccccc1 ZINC000271067443 1127067042 /nfs/dbraw/zinc/06/70/42/1127067042.db2.gz KLWHZEBBCIEYGP-CQSZACIVSA-N 0 1 290.432 3.661 20 0 CHADMN Cc1n[nH]cc1CN(C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000271068762 1127067138 /nfs/dbraw/zinc/06/71/38/1127067138.db2.gz DHYLZPPQKRXLQI-LLVKDONJSA-N 0 1 297.324 3.930 20 0 CHADMN C[C@@H](NCCc1cccc(Cl)c1)c1cscn1 ZINC000271109561 1127068319 /nfs/dbraw/zinc/06/83/19/1127068319.db2.gz HAUIIEVMEQOCNZ-SNVBAGLBSA-N 0 1 266.797 3.690 20 0 CHADMN CC[C@@H](CN[C@H](C)c1cscn1)Oc1cccc(F)c1 ZINC000271106311 1127068752 /nfs/dbraw/zinc/06/87/52/1127068752.db2.gz GFEYBDQQCOTZHP-YPMHNXCESA-N 0 1 294.395 3.790 20 0 CHADMN CC(C)N(Cc1cccs1)Cc1cnc(N(C)C)s1 ZINC000271073878 1127068770 /nfs/dbraw/zinc/06/87/70/1127068770.db2.gz NEYNQFAOIYPEPK-UHFFFAOYSA-N 0 1 295.477 3.681 20 0 CHADMN Cc1cccc(O[C@H](C)CN[C@@H](C)c2cscn2)c1 ZINC000271147295 1127070114 /nfs/dbraw/zinc/07/01/14/1127070114.db2.gz PQCORIVYIFVOQK-OLZOCXBDSA-N 0 1 276.405 3.570 20 0 CHADMN COCC[C@@H](C)Sc1nc(C)c(-c2ccccc2)[nH]1 ZINC000488298804 1127070278 /nfs/dbraw/zinc/07/02/78/1127070278.db2.gz NEMYAFAFROPJMF-LLVKDONJSA-N 0 1 276.405 3.902 20 0 CHADMN Cc1cccc(C)c1OC[C@@H](C)N[C@@H](C)c1cscn1 ZINC000271162162 1127070915 /nfs/dbraw/zinc/07/09/15/1127070915.db2.gz SDAIOGLGRCZVPH-KGLIPLIRSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1ncsc1CN(C)Cc1cccc2cc[nH]c21 ZINC000271159737 1127071275 /nfs/dbraw/zinc/07/12/75/1127071275.db2.gz PNHUQJWYDUEOBG-UHFFFAOYSA-N 0 1 271.389 3.565 20 0 CHADMN Fc1ccc(CN2CCC(c3ncc[nH]3)CC2)cc1Cl ZINC000271202262 1127072404 /nfs/dbraw/zinc/07/24/04/1127072404.db2.gz QPEZAWCAWBPXOT-UHFFFAOYSA-N 0 1 293.773 3.582 20 0 CHADMN CCn1nc(C)c(CN2C[C@@H](C)[C@H]2c2ccccc2)c1C ZINC000271208975 1127073572 /nfs/dbraw/zinc/07/35/72/1127073572.db2.gz LBJIVWYMGNHWNK-ACJLOTCBSA-N 0 1 283.419 3.713 20 0 CHADMN CCc1ncc(CN(C)Cc2ccc(C)cc2)s1 ZINC000067402000 1127074555 /nfs/dbraw/zinc/07/45/55/1127074555.db2.gz CFHDMDBMNIPEET-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN C[C@H]1CCN(Cc2nnc(-c3ccccc3)o2)CC12CCC2 ZINC000271314671 1127075001 /nfs/dbraw/zinc/07/50/01/1127075001.db2.gz IUZFGFJIJVIFOV-AWEZNQCLSA-N 0 1 297.402 3.749 20 0 CHADMN COc1ccccc1C[C@H](C)N(C)Cc1ncc(C)s1 ZINC000271422562 1127079727 /nfs/dbraw/zinc/07/97/27/1127079727.db2.gz YUSDDMMVOBMYMM-LBPRGKRZSA-N 0 1 290.432 3.523 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H](C)c2ccc(F)cc2F)n[nH]1 ZINC000271433183 1127080485 /nfs/dbraw/zinc/08/04/85/1127080485.db2.gz DKWAUNXVDWLKRJ-ZJUUUORDSA-N 0 1 294.349 3.618 20 0 CHADMN Clc1ccnc2c1CC[C@H]2NCCOC1CCCCC1 ZINC000924840672 1127082913 /nfs/dbraw/zinc/08/29/13/1127082913.db2.gz BIFPIYPXZSLOAY-OAHLLOKOSA-N 0 1 294.826 3.661 20 0 CHADMN C[C@H](N[C@H]1CC2(CCC2)Oc2ccccc21)c1cn[nH]c1 ZINC000271457805 1127083428 /nfs/dbraw/zinc/08/34/28/1127083428.db2.gz GYRKEJZMCPNQHR-WFASDCNBSA-N 0 1 283.375 3.507 20 0 CHADMN C[C@H](NCc1ccc(Cl)o1)c1ccc2c(c1)CCO2 ZINC000698118075 1127085339 /nfs/dbraw/zinc/08/53/39/1127085339.db2.gz ZTJCNLPLJYAHEQ-JTQLQIEISA-N 0 1 277.751 3.719 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1noc(-c2ccsc2)n1 ZINC000271500355 1127086716 /nfs/dbraw/zinc/08/67/16/1127086716.db2.gz IZYKICBMWYMOBE-CMPLNLGQSA-N 0 1 277.393 3.561 20 0 CHADMN Cc1oc(-c2ccccc2)cc1-c1nc(C2(N)CCC2)no1 ZINC000634556384 1127087072 /nfs/dbraw/zinc/08/70/72/1127087072.db2.gz QRRCBNCROXJPQL-UHFFFAOYSA-N 0 1 295.342 3.643 20 0 CHADMN Cc1ccccc1C[C@@H](C)c1nc([C@@H](N)CC(C)C)no1 ZINC000634555864 1127087103 /nfs/dbraw/zinc/08/71/03/1127087103.db2.gz XJLDVYYOBTZXAC-HIFRSBDPSA-N 0 1 287.407 3.770 20 0 CHADMN Cc1ccc(OC(F)F)c([C@H](C)N[C@@H](C)c2cn[nH]c2)c1 ZINC000271549225 1127090606 /nfs/dbraw/zinc/09/06/06/1127090606.db2.gz RWVPFNAMOIZTJM-QWRGUYRKSA-N 0 1 295.333 3.731 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@H](C)c2cc(F)cc(F)c2)n[nH]1 ZINC000271553269 1127090736 /nfs/dbraw/zinc/09/07/36/1127090736.db2.gz SIDQUZCNTKPGCV-NXEZZACHSA-N 0 1 294.349 3.618 20 0 CHADMN COc1ccc(Cl)cc1CN[C@@H](C)c1cnccc1C ZINC000271543217 1127091209 /nfs/dbraw/zinc/09/12/09/1127091209.db2.gz STLBZSQZNLOOIW-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@H]2CCCc3ccccc32)n[nH]1 ZINC000271549275 1127091215 /nfs/dbraw/zinc/09/12/15/1127091215.db2.gz RYBJHDGXWWAZSC-DOMZBBRYSA-N 0 1 284.407 3.656 20 0 CHADMN Cc1cnc(CN(C)C[C@H](C)c2ccccc2)s1 ZINC000271540861 1127091300 /nfs/dbraw/zinc/09/13/00/1127091300.db2.gz PIMUDWMCQXEYHM-LBPRGKRZSA-N 0 1 260.406 3.687 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H](C)c2cc(F)cc(F)c2)n[nH]1 ZINC000271553275 1127091542 /nfs/dbraw/zinc/09/15/42/1127091542.db2.gz SIDQUZCNTKPGCV-ZJUUUORDSA-N 0 1 294.349 3.618 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](CC)c2ccc(CC)cc2)n[nH]1 ZINC000271560928 1127091622 /nfs/dbraw/zinc/09/16/22/1127091622.db2.gz UIJUTDNFPXSVJJ-DOMZBBRYSA-N 0 1 286.423 3.731 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H]1CCCOc2ccccc21 ZINC000271553554 1127091912 /nfs/dbraw/zinc/09/19/12/1127091912.db2.gz MUPKKTXMAQKZPT-RHSMWYFYSA-N 0 1 282.387 3.955 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H]1CCCOc2ccccc21 ZINC000271553561 1127091940 /nfs/dbraw/zinc/09/19/40/1127091940.db2.gz MUPKKTXMAQKZPT-YOEHRIQHSA-N 0 1 282.387 3.955 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccco1)[C@H](O)c1c(F)cccc1F ZINC000271569267 1127093319 /nfs/dbraw/zinc/09/33/19/1127093319.db2.gz YWCXPCUIEIJJMG-NKFCBESUSA-N 0 1 295.329 3.721 20 0 CHADMN Cc1ccccc1[C@@H](NCc1ncc(Cl)n1C)C1CC1 ZINC000271606889 1127094815 /nfs/dbraw/zinc/09/48/15/1127094815.db2.gz AEYKIWXVZSYAAE-INIZCTEOSA-N 0 1 289.810 3.623 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1cn2c(n1)CCCC2 ZINC000924844615 1127095194 /nfs/dbraw/zinc/09/51/94/1127095194.db2.gz VZPKHYXTKDKTQY-PBHICJAKSA-N 0 1 295.430 3.866 20 0 CHADMN Cc1ccncc1CNC1(c2cccc(Cl)c2)CC1 ZINC000271649280 1127096227 /nfs/dbraw/zinc/09/62/27/1127096227.db2.gz ARNRAYBTCBXPMT-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN COc1ccc([C@H](NCc2ccc(F)cn2)C(C)C)cc1 ZINC000271679596 1127096475 /nfs/dbraw/zinc/09/64/75/1127096475.db2.gz JFUCJFSZTLICEG-QGZVFWFLSA-N 0 1 288.366 3.716 20 0 CHADMN Cc1ccccc1[C@H](NCc1ccc(F)cn1)C1CC1 ZINC000271671891 1127096969 /nfs/dbraw/zinc/09/69/69/1127096969.db2.gz ILBMIPRSLCJJPX-QGZVFWFLSA-N 0 1 270.351 3.770 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CC=CC12CCCCC2 ZINC000912477270 1127101191 /nfs/dbraw/zinc/10/11/91/1127101191.db2.gz DZVWGIJHFQSEPH-UHFFFAOYSA-N 0 1 291.778 3.761 20 0 CHADMN CCC(CC)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000273943529 1127103042 /nfs/dbraw/zinc/10/30/42/1127103042.db2.gz OYAUVBRCNABQQN-UHFFFAOYSA-N 0 1 256.309 3.517 20 0 CHADMN CCC(CC)[C@@H](N[C@@H](C)c1cnn(C)n1)c1cccs1 ZINC000924847340 1127105569 /nfs/dbraw/zinc/10/55/69/1127105569.db2.gz CKAZKFOWEXXJNX-XHDPSFHLSA-N 0 1 292.452 3.705 20 0 CHADMN CC(C)=CCC[C@H](C)N[C@@H](C)c1nnc(C)s1 ZINC000274138914 1127108984 /nfs/dbraw/zinc/10/89/84/1127108984.db2.gz CUVTZBWOJRXFOJ-QWRGUYRKSA-N 0 1 253.415 3.632 20 0 CHADMN c1ccc2c(c1)[nH]c1c2CN(CCCC2CCOCC2)CC1 ZINC000274213920 1127110594 /nfs/dbraw/zinc/11/05/94/1127110594.db2.gz OGZWTEGMHBPFFQ-UHFFFAOYSA-N 0 1 298.430 3.733 20 0 CHADMN C[C@H](c1cnccn1)N1CCC(Cc2ccccc2F)CC1 ZINC000274306201 1127112129 /nfs/dbraw/zinc/11/21/29/1127112129.db2.gz DMTFEBJFGORPQP-CQSZACIVSA-N 0 1 299.393 3.631 20 0 CHADMN CCCCCNC(=O)[C@H](C)N1CCC[C@H]1c1ccsc1 ZINC000339144594 1127116214 /nfs/dbraw/zinc/11/62/14/1127116214.db2.gz ZKVUPYZTTIDUFE-ZFWWWQNUSA-N 0 1 294.464 3.580 20 0 CHADMN COCC[C@@H](N[C@@H](C)c1cncc(C)c1)c1ccc(C)o1 ZINC000274390729 1127116561 /nfs/dbraw/zinc/11/65/61/1127116561.db2.gz OGTZBGZRCLGQFB-GOEBONIOSA-N 0 1 288.391 3.720 20 0 CHADMN CC(C)[C@@H](C(=O)O[C@H](C)c1ccc(Cl)cc1)N(C)C ZINC000798818594 1131051959 /nfs/dbraw/zinc/05/19/59/1131051959.db2.gz YYPXGHREFHTIAW-RISCZKNCSA-N 0 1 283.799 3.530 20 0 CHADMN CSc1cc(C)ccc1CNCc1cc(O)cc(F)c1 ZINC000274413998 1127118301 /nfs/dbraw/zinc/11/83/01/1127118301.db2.gz IXGZLJVEIXGVQR-UHFFFAOYSA-N 0 1 291.391 3.851 20 0 CHADMN Cc1ccc(C)c(C[N@@H+](C)Cc2cccc(O)c2)c1 ZINC000348527002 1127121262 /nfs/dbraw/zinc/12/12/62/1127121262.db2.gz PTRAXBIHFGAADU-UHFFFAOYSA-N 0 1 255.361 3.641 20 0 CHADMN CCC[C@@H]1CCCCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000283068410 1127121348 /nfs/dbraw/zinc/12/13/48/1127121348.db2.gz KIEVNRUUDFMAFO-CYBMUJFWSA-N 0 1 285.391 3.666 20 0 CHADMN C[C@@H](NCCC1CC1)c1nc(C2CCCCC2)no1 ZINC000348531117 1127121503 /nfs/dbraw/zinc/12/15/03/1127121503.db2.gz BRDCYXLWUWRUMY-LLVKDONJSA-N 0 1 263.385 3.568 20 0 CHADMN CCCCc1nc2ccc(NC(=O)C3=CCCC3)cc2[nH]1 ZINC000348838433 1127131158 /nfs/dbraw/zinc/13/11/58/1127131158.db2.gz CCODJFVSRHAFSF-UHFFFAOYSA-N 0 1 283.375 3.954 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cc(O)cc(F)c2)cc1 ZINC000924857307 1127131715 /nfs/dbraw/zinc/13/17/15/1127131715.db2.gz GURFIQMOTFXCEC-VXGBXAGGSA-N 0 1 289.350 3.952 20 0 CHADMN CCCc1cccc(CN(CCOC)Cc2ccccn2)c1 ZINC000349035463 1127137438 /nfs/dbraw/zinc/13/74/38/1127137438.db2.gz JTNOYPOJTUPLAE-UHFFFAOYSA-N 0 1 298.430 3.683 20 0 CHADMN C[C@H](CN(C)Cc1ccon1)c1ccc(C(F)(F)F)cc1 ZINC000283461391 1127138496 /nfs/dbraw/zinc/13/84/96/1127138496.db2.gz YWQUZWOCLIMARK-LLVKDONJSA-N 0 1 298.308 3.929 20 0 CHADMN COc1ccccc1/C=C/CN1CCC[C@@H]1c1cccnc1 ZINC000348924252 1127134492 /nfs/dbraw/zinc/13/44/92/1127134492.db2.gz VXVGTZGJPOAGTO-QKYXPGDISA-N 0 1 294.398 3.941 20 0 CHADMN CCCc1cccc(CN(CCOC)Cc2cccnc2)c1 ZINC000349006733 1127137046 /nfs/dbraw/zinc/13/70/46/1127137046.db2.gz MISQMOYTPNFAPO-UHFFFAOYSA-N 0 1 298.430 3.683 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccsc1)c1ccc(F)c(Cl)c1 ZINC000349359500 1127148804 /nfs/dbraw/zinc/14/88/04/1127148804.db2.gz YPUPOLDORCTRLJ-YMTOWFKASA-N 0 1 299.798 3.925 20 0 CHADMN Cc1nc(CN(C)C[C@H](C)c2ccccc2)c(C)o1 ZINC000659873394 1127152453 /nfs/dbraw/zinc/15/24/53/1127152453.db2.gz HUWSXGLOPPJWNC-LBPRGKRZSA-N 0 1 258.365 3.527 20 0 CHADMN C[N@@H+](CCCCCF)Cc1nc(-c2ccccc2)c[nH]1 ZINC000283911823 1127164147 /nfs/dbraw/zinc/16/41/47/1127164147.db2.gz BUDYHXGKTRTKQA-UHFFFAOYSA-N 0 1 275.371 3.648 20 0 CHADMN CN(CCCCCF)Cc1nc(-c2ccccc2)c[nH]1 ZINC000283911823 1127164150 /nfs/dbraw/zinc/16/41/50/1127164150.db2.gz BUDYHXGKTRTKQA-UHFFFAOYSA-N 0 1 275.371 3.648 20 0 CHADMN CN(C(=O)c1ccc2cncn2c1)C1CCCCCCC1 ZINC000283951977 1127165513 /nfs/dbraw/zinc/16/55/13/1127165513.db2.gz NIJOTQQHASWZIE-UHFFFAOYSA-N 0 1 285.391 3.519 20 0 CHADMN C[C@@H]1CCC[C@H](CCN[C@H](CO)c2c(F)cccc2F)C1 ZINC001168381163 1127168270 /nfs/dbraw/zinc/16/82/70/1127168270.db2.gz BEUVEWGNEVDUEM-XJKCOSOUSA-N 0 1 297.389 3.804 20 0 CHADMN Cc1c(Cl)cccc1NS(=O)(=O)c1ccsc1 ZINC000349944477 1127168618 /nfs/dbraw/zinc/16/86/18/1127168618.db2.gz HBCKRTBKCZDVMV-UHFFFAOYSA-N 0 1 287.793 3.511 20 0 CHADMN Fc1ccc([C@@H]2CCCN2Cc2cnn3ccccc23)cc1 ZINC000349970879 1127168915 /nfs/dbraw/zinc/16/89/15/1127168915.db2.gz JJEHEXPODZRFQJ-KRWDZBQOSA-N 0 1 295.361 3.811 20 0 CHADMN CC[C@H]1CCN([C@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000283999329 1127169229 /nfs/dbraw/zinc/16/92/29/1127169229.db2.gz GPTDNKNOUVGXNZ-OLZOCXBDSA-N 0 1 271.364 3.530 20 0 CHADMN Cc1nc(CN(C)CC2CCCCCC2)cs1 ZINC000349992910 1127170426 /nfs/dbraw/zinc/17/04/26/1127170426.db2.gz VLTUUNJQRSJZMK-UHFFFAOYSA-N 0 1 252.427 3.854 20 0 CHADMN CC(C)C[C@]1(C)CCCN1Cc1nc(C2CCC2)no1 ZINC001307786752 1127171352 /nfs/dbraw/zinc/17/13/52/1127171352.db2.gz HZRKMYHCBQNDNY-INIZCTEOSA-N 0 1 277.412 3.738 20 0 CHADMN Cc1cc(CN[C@H]2CSc3ccccc32)cnc1Cl ZINC000760677698 1127174048 /nfs/dbraw/zinc/17/40/48/1127174048.db2.gz SRXDYFHECDEQER-ZDUSSCGKSA-N 0 1 290.819 3.980 20 0 CHADMN Cc1cc([C@H](C)NCCc2cccc(Cl)c2)no1 ZINC000284151205 1127176396 /nfs/dbraw/zinc/17/63/96/1127176396.db2.gz PGMNRBDTFUXKCQ-NSHDSACASA-N 0 1 264.756 3.530 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@H]2C(C)(C)C)[nH]1 ZINC000284142384 1127176160 /nfs/dbraw/zinc/17/61/60/1127176160.db2.gz WAUIDFCNLVJQKE-AWEZNQCLSA-N 0 1 285.391 3.522 20 0 CHADMN CCc1nocc1CN1CCC[C@@H]1c1cccs1 ZINC000350280202 1127176254 /nfs/dbraw/zinc/17/62/54/1127176254.db2.gz SWVDJPFJUFCULI-CYBMUJFWSA-N 0 1 262.378 3.636 20 0 CHADMN CCCc1ccc(CN(C)Cc2ccccn2)cc1 ZINC000350351447 1127176921 /nfs/dbraw/zinc/17/69/21/1127176921.db2.gz IAVOWHZYGCDPOL-UHFFFAOYSA-N 0 1 254.377 3.666 20 0 CHADMN Cc1ccc(CN(Cc2cccs2)C(C)C)nc1 ZINC000350313685 1127177632 /nfs/dbraw/zinc/17/76/32/1127177632.db2.gz BOZYDVTWTLSJDN-UHFFFAOYSA-N 0 1 260.406 3.862 20 0 CHADMN CC(C)(C)c1ncc(CN[C@@H]2CCc3c2cccc3F)cn1 ZINC000284209030 1127178292 /nfs/dbraw/zinc/17/82/92/1127178292.db2.gz CCWKUIHMMVTFMI-MRXNPFEDSA-N 0 1 299.393 3.690 20 0 CHADMN Cc1cc([C@H](C)NCC2(c3cccc(F)c3)CC2)no1 ZINC000284188799 1127178424 /nfs/dbraw/zinc/17/84/24/1127178424.db2.gz RKHIVEOWYGBEGS-LBPRGKRZSA-N 0 1 274.339 3.505 20 0 CHADMN CC[C@@H](CN[C@@H](C)c1cc(C)on1)Oc1ccccc1F ZINC000284208190 1127178440 /nfs/dbraw/zinc/17/84/40/1127178440.db2.gz SMHHWLZSZWGUBI-STQMWFEESA-N 0 1 292.354 3.630 20 0 CHADMN CCN(Cc1occc1C)Cc1cc(OC)cc(OC)c1 ZINC000350998182 1127184115 /nfs/dbraw/zinc/18/41/15/1127184115.db2.gz ALHPEZAZOIJZJO-UHFFFAOYSA-N 0 1 289.375 3.627 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3c(Cl)cccc32)n(C)n1 ZINC000284511122 1127187369 /nfs/dbraw/zinc/18/73/69/1127187369.db2.gz WCHAAMLFAQDDGN-INIZCTEOSA-N 0 1 289.810 3.549 20 0 CHADMN Cc1nn2c(CN(C(C)C)C3CC3)c(C(C)C)nc2s1 ZINC000351054810 1127184610 /nfs/dbraw/zinc/18/46/10/1127184610.db2.gz XOHDBXYCBREIIB-UHFFFAOYSA-N 0 1 292.452 3.595 20 0 CHADMN CC[C@H](NC[C@H](OC)c1ccccc1)c1nc(C)cs1 ZINC000284461116 1127185467 /nfs/dbraw/zinc/18/54/67/1127185467.db2.gz RXFKYZHLWCMSAL-GJZGRUSLSA-N 0 1 290.432 3.880 20 0 CHADMN CCc1nc([C@@H](C)NC[C@@H](OC)c2ccccc2)cs1 ZINC000284482509 1127186267 /nfs/dbraw/zinc/18/62/67/1127186267.db2.gz TYHBGLWGQRUOEN-IUODEOHRSA-N 0 1 290.432 3.744 20 0 CHADMN Cc1ccccc1Cc1nnc(CN2C[C@H](C)CC2(C)C)o1 ZINC000351328194 1127187988 /nfs/dbraw/zinc/18/79/88/1127187988.db2.gz MYNWEKMDDPHPBZ-CYBMUJFWSA-N 0 1 299.418 3.589 20 0 CHADMN CCC(C)(C)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000588370877 1127188682 /nfs/dbraw/zinc/18/86/82/1127188682.db2.gz VCUCPZXXSPLZRJ-OAHLLOKOSA-N 0 1 299.418 3.971 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2conc2C)s1 ZINC000351453967 1127189102 /nfs/dbraw/zinc/18/91/02/1127189102.db2.gz QSUJFDWJWDVLEL-CYBMUJFWSA-N 0 1 262.378 3.690 20 0 CHADMN CC(C)Cn1ccnc1NCc1ccccc1OC(C)C ZINC000351550295 1127193081 /nfs/dbraw/zinc/19/30/81/1127193081.db2.gz JKUYSMGZLKYHNW-UHFFFAOYSA-N 0 1 287.407 3.938 20 0 CHADMN Clc1ccccc1Cn1ccnc1NCc1ccco1 ZINC000351568145 1127193999 /nfs/dbraw/zinc/19/39/99/1127193999.db2.gz LVPCDEIGHFEFCR-UHFFFAOYSA-N 0 1 287.750 3.790 20 0 CHADMN Cc1cc(C[N@H+](CC(C)C)[C@H]2CCCc3cccnc32)on1 ZINC000351592616 1127196317 /nfs/dbraw/zinc/19/63/17/1127196317.db2.gz KVPVVROXUQRGKJ-KRWDZBQOSA-N 0 1 299.418 3.914 20 0 CHADMN Cc1cc(CN(CC(C)C)[C@H]2CCCc3cccnc32)on1 ZINC000351592616 1127196319 /nfs/dbraw/zinc/19/63/19/1127196319.db2.gz KVPVVROXUQRGKJ-KRWDZBQOSA-N 0 1 299.418 3.914 20 0 CHADMN Cc1cc(C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)on1 ZINC000351592617 1127196341 /nfs/dbraw/zinc/19/63/41/1127196341.db2.gz KVPVVROXUQRGKJ-QGZVFWFLSA-N 0 1 299.418 3.914 20 0 CHADMN Cc1cc(CN(CC(C)C)[C@@H]2CCCc3cccnc32)on1 ZINC000351592617 1127196343 /nfs/dbraw/zinc/19/63/43/1127196343.db2.gz KVPVVROXUQRGKJ-QGZVFWFLSA-N 0 1 299.418 3.914 20 0 CHADMN CCC[C@H]1CCCCN1Cc1c(C)nc2sc(C)nn12 ZINC000351599387 1127197196 /nfs/dbraw/zinc/19/71/96/1127197196.db2.gz XRYTXFFXVRJRMR-ZDUSSCGKSA-N 0 1 292.452 3.562 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CC2(C)CCC2)CCO1 ZINC000572318160 1127197508 /nfs/dbraw/zinc/19/75/08/1127197508.db2.gz HBONBJNTUAILTO-INIZCTEOSA-N 0 1 259.393 3.559 20 0 CHADMN C[C@]1(C2CCCCC2)CCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000641238178 1127202618 /nfs/dbraw/zinc/20/26/18/1127202618.db2.gz RBWVRFAOEKVRFZ-OAHLLOKOSA-N 0 1 297.349 3.532 20 0 CHADMN CCC(C)(C)c1ccc(CN(C)[C@H](C)C[S@](C)=O)cc1 ZINC000351719478 1127206020 /nfs/dbraw/zinc/20/60/20/1127206020.db2.gz MGRCLWBCJSBLBP-VLIAUNLRSA-N 0 1 295.492 3.573 20 0 CHADMN CSCc1cnc(CN2CC[C@@H](C)C[C@H](C)C2)s1 ZINC000351759322 1127208247 /nfs/dbraw/zinc/20/82/47/1127208247.db2.gz SDVYYEOUQLXUGS-NEPJUHHUSA-N 0 1 284.494 3.874 20 0 CHADMN CSCc1cnc(CN2CC[C@H](C)C[C@H](C)C2)s1 ZINC000351759692 1127208269 /nfs/dbraw/zinc/20/82/69/1127208269.db2.gz SDVYYEOUQLXUGS-RYUDHWBXSA-N 0 1 284.494 3.874 20 0 CHADMN COc1ccccc1CNCc1ccc2occc2c1 ZINC000352242992 1127222353 /nfs/dbraw/zinc/22/23/53/1127222353.db2.gz VFHHCXNEMDPUGU-UHFFFAOYSA-N 0 1 267.328 3.731 20 0 CHADMN C/C(=C/c1ccccc1)CN1CC2(CCC2(F)F)C1 ZINC000572774524 1127227862 /nfs/dbraw/zinc/22/78/62/1127227862.db2.gz OFSQGRMYRPUPDA-LCYFTJDESA-N 0 1 263.331 3.821 20 0 CHADMN C/C(=C\c1ccccc1)CN1CC2(CCC2(F)F)C1 ZINC000572774525 1127227905 /nfs/dbraw/zinc/22/79/05/1127227905.db2.gz OFSQGRMYRPUPDA-UKTHLTGXSA-N 0 1 263.331 3.821 20 0 CHADMN CCOC1CC2(C1)CCN(Cc1cc(Cl)ccc1F)C2 ZINC000285445887 1127228189 /nfs/dbraw/zinc/22/81/89/1127228189.db2.gz ILOQFROZXKPFIH-UHFFFAOYSA-N 0 1 297.801 3.870 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(C(F)(F)F)c2)[nH]n1 ZINC000589633269 1127230702 /nfs/dbraw/zinc/23/07/02/1127230702.db2.gz GIFQMQVRXBJPMY-SNVBAGLBSA-N 0 1 283.297 3.588 20 0 CHADMN C[C@@H](NCc1[nH]nc2ccccc21)c1ccc(F)cc1F ZINC000589636700 1127230878 /nfs/dbraw/zinc/23/08/78/1127230878.db2.gz XZCQATMQJOXYMK-SNVBAGLBSA-N 0 1 287.313 3.692 20 0 CHADMN Cc1cc(F)ccc1CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000352424035 1127230991 /nfs/dbraw/zinc/23/09/91/1127230991.db2.gz QJWUPUVZICGCGC-IAGOWNOFSA-N 0 1 289.394 3.668 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc3cccnc3c2)o1 ZINC000589635507 1127230978 /nfs/dbraw/zinc/23/09/78/1127230978.db2.gz SGKBFNWDCDEKPZ-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(CC(C)C)cc2)[nH]n1 ZINC000589635893 1127231524 /nfs/dbraw/zinc/23/15/24/1127231524.db2.gz UFJRUUSSEBZFOA-CQSZACIVSA-N 0 1 271.408 3.767 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)[nH]n1 ZINC000589633268 1127231570 /nfs/dbraw/zinc/23/15/70/1127231570.db2.gz GIFQMQVRXBJPMY-JTQLQIEISA-N 0 1 283.297 3.588 20 0 CHADMN Cn1nc(CN[C@H](c2ccccc2)C2CC2)c2ccccc21 ZINC000589638947 1127231899 /nfs/dbraw/zinc/23/18/99/1127231899.db2.gz IMTQMXDNZOMAMX-LJQANCHMSA-N 0 1 291.398 3.814 20 0 CHADMN Clc1ccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000352448524 1127233758 /nfs/dbraw/zinc/23/37/58/1127233758.db2.gz TUZNKOIMCZRTOR-HZPDHXFCSA-N 0 1 291.822 3.874 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249751092 1127235611 /nfs/dbraw/zinc/23/56/11/1127235611.db2.gz HQQRKYMTKCRACC-VXGBXAGGSA-N 0 1 291.345 3.629 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)c2cc(C)ccn2)c1 ZINC000285578607 1127238233 /nfs/dbraw/zinc/23/82/33/1127238233.db2.gz IKCHSBQGMKSATK-KGLIPLIRSA-N 0 1 297.402 3.760 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)N[C@H](C)c2cc(C)ccn2)c1 ZINC000285578609 1127238459 /nfs/dbraw/zinc/23/84/59/1127238459.db2.gz IKCHSBQGMKSATK-UONOGXRCSA-N 0 1 297.402 3.760 20 0 CHADMN C[C@H](Cc1ccccc1F)N[C@@H](C)c1c(F)cncc1F ZINC000285696263 1127240923 /nfs/dbraw/zinc/24/09/23/1127240923.db2.gz OMTCOXWHWBYCJJ-MNOVXSKESA-N 0 1 294.320 3.781 20 0 CHADMN C[C@H](N[C@@H]1CCC12CCCC2)c1c(F)cncc1F ZINC000285722403 1127241944 /nfs/dbraw/zinc/24/19/44/1127241944.db2.gz QGNBYCZCTZODJY-GXFFZTMASA-N 0 1 266.335 3.733 20 0 CHADMN COCC[C@@H](NCc1ccc2occc2c1)c1ccco1 ZINC000285825286 1127243803 /nfs/dbraw/zinc/24/38/03/1127243803.db2.gz GXCOFNQMRUQBNW-OAHLLOKOSA-N 0 1 285.343 3.893 20 0 CHADMN COc1cccc([C@H](C)N[C@H](C)c2cc(C)ccn2)c1 ZINC000285893317 1127246514 /nfs/dbraw/zinc/24/65/14/1127246514.db2.gz CKCMIGAKHOQHRK-UONOGXRCSA-N 0 1 270.376 3.810 20 0 CHADMN CC[C@H]1CCCN1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000590062061 1127247645 /nfs/dbraw/zinc/24/76/45/1127247645.db2.gz QCIYVXVVCFFKJV-ZDUSSCGKSA-N 0 1 291.782 3.764 20 0 CHADMN C[C@@H](NC1CC(c2ccccc2Cl)C1)c1ccon1 ZINC000352897396 1127249096 /nfs/dbraw/zinc/24/90/96/1127249096.db2.gz MAJRPPIQQKGFFT-VOMCLLRMSA-N 0 1 276.767 3.925 20 0 CHADMN COCc1cc(CN[C@@H](C)c2cc(C)ccn2)ccc1F ZINC000286017701 1127253927 /nfs/dbraw/zinc/25/39/27/1127253927.db2.gz JNPBZZXAMYRBAL-ZDUSSCGKSA-N 0 1 288.366 3.526 20 0 CHADMN CCC[C@H]1CCCC[C@@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC000590592203 1127264501 /nfs/dbraw/zinc/26/45/01/1127264501.db2.gz QKAYXCKDWSLBJM-ZFWWWQNUSA-N 0 1 299.418 3.581 20 0 CHADMN Cc1ccnc([C@H](C)N[C@@H](CCCO)c2ccccc2)c1 ZINC000286234835 1127263502 /nfs/dbraw/zinc/26/35/02/1127263502.db2.gz SYRFODQEXLVQAD-RDJZCZTQSA-N 0 1 284.403 3.554 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1occc1C(C)C ZINC000286441144 1127267876 /nfs/dbraw/zinc/26/78/76/1127267876.db2.gz IATSYKCCKMDCOE-UHFFFAOYSA-N 0 1 283.331 3.840 20 0 CHADMN CCc1nn(C)c(CC)c1CNCc1ccc2occc2c1 ZINC000286512756 1127268660 /nfs/dbraw/zinc/26/86/60/1127268660.db2.gz MVYMPKHQQYXQIA-UHFFFAOYSA-N 0 1 297.402 3.581 20 0 CHADMN CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000286698121 1127272057 /nfs/dbraw/zinc/27/20/57/1127272057.db2.gz IWQLHBAJPOCSIS-RMLUDKJBSA-N 0 1 285.746 3.805 20 0 CHADMN Brc1cc(CN2CCC[C@H]2C2CC2)cs1 ZINC000590787599 1127273316 /nfs/dbraw/zinc/27/33/16/1127273316.db2.gz BYBFZSBUKNLKAV-NSHDSACASA-N 0 1 286.238 3.885 20 0 CHADMN OC[C@]1(F)CCCN(C2c3ccccc3-c3ccccc32)C1 ZINC000286819932 1127274515 /nfs/dbraw/zinc/27/45/15/1127274515.db2.gz KGYHEJKMWFPFIV-IBGZPJMESA-N 0 1 297.373 3.553 20 0 CHADMN CC(C)c1cc(CN2CCOC[C@@H](C)C2)ccc1Cl ZINC001238216586 1131182211 /nfs/dbraw/zinc/18/22/11/1131182211.db2.gz CHHMMXLEUKCSPE-ZDUSSCGKSA-N 0 1 281.827 3.932 20 0 CHADMN Cc1cc([C@H](C)N[C@H](c2nccn2C)C2CC2)c(C)s1 ZINC000353924289 1127278474 /nfs/dbraw/zinc/27/84/74/1127278474.db2.gz PXCIENPHTRIKLJ-NHYWBVRUSA-N 0 1 289.448 3.900 20 0 CHADMN CCSCC[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1F ZINC000353946747 1127279475 /nfs/dbraw/zinc/27/94/75/1127279475.db2.gz JKEPVIPWYSQLFB-LLVKDONJSA-N 0 1 273.392 3.928 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1cc(F)ccc1F ZINC000353946747 1127279477 /nfs/dbraw/zinc/27/94/77/1127279477.db2.gz JKEPVIPWYSQLFB-LLVKDONJSA-N 0 1 273.392 3.928 20 0 CHADMN CCCCOc1cc(C[N@@H+](C)CCSC)ccc1OC ZINC000353930786 1127279520 /nfs/dbraw/zinc/27/95/20/1127279520.db2.gz SMJISLRNYHALQM-UHFFFAOYSA-N 0 1 297.464 3.669 20 0 CHADMN CCOC(=O)c1coc(CN[C@@H](C)c2ccccc2C)c1 ZINC000353942482 1127281218 /nfs/dbraw/zinc/28/12/18/1127281218.db2.gz GBJKGNKKWZOESD-ZDUSSCGKSA-N 0 1 287.359 3.616 20 0 CHADMN CCSc1ccccc1[C@@H](C)NCc1cnn(CC)c1 ZINC000353950530 1127281617 /nfs/dbraw/zinc/28/16/17/1127281617.db2.gz CMJXZSNEQBSDSU-CYBMUJFWSA-N 0 1 289.448 3.866 20 0 CHADMN CCn1cc(CN[C@H]2CCCOc3cc(C)c(C)cc32)cn1 ZINC000353961359 1127281709 /nfs/dbraw/zinc/28/17/09/1127281709.db2.gz VYQIIVJRPFBVMM-KRWDZBQOSA-N 0 1 299.418 3.523 20 0 CHADMN CC[C@H](C)[C@@H](C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000287051346 1127284897 /nfs/dbraw/zinc/28/48/97/1127284897.db2.gz UDMZQEKTBQRKHK-JGVFFNPUSA-N 0 1 273.735 3.805 20 0 CHADMN CC[C@@H](C)[C@H](C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000287051350 1127284940 /nfs/dbraw/zinc/28/49/40/1127284940.db2.gz UDMZQEKTBQRKHK-SFYZADRCSA-N 0 1 273.735 3.805 20 0 CHADMN CC[C@@H](C)n1cc(-c2ccc(F)c(CN(C)C)c2)cn1 ZINC000629737894 1127289033 /nfs/dbraw/zinc/28/90/33/1127289033.db2.gz BWFKOJIURGYKMJ-GFCCVEGCSA-N 0 1 275.371 3.722 20 0 CHADMN CC(C)C(C)(C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000287098948 1127289070 /nfs/dbraw/zinc/28/90/70/1127289070.db2.gz XFEPYFDRPMLBBC-UHFFFAOYSA-N 0 1 273.735 3.805 20 0 CHADMN CSC[C@H]1CCCN1Cc1c(F)cccc1Cl ZINC000354107310 1127293104 /nfs/dbraw/zinc/29/31/04/1127293104.db2.gz PDEGDXFCGVHVLX-SNVBAGLBSA-N 0 1 273.804 3.807 20 0 CHADMN CCn1ccnc1CN1CC[C@](C)(CCc2ccccc2)C1 ZINC000354097451 1127292364 /nfs/dbraw/zinc/29/23/64/1127292364.db2.gz PVNAFCIBYCQYMO-IBGZPJMESA-N 0 1 297.446 3.748 20 0 CHADMN Cc1nccc(N2CCO[C@H](c3cccs3)C2)c1Cl ZINC000354155179 1127296591 /nfs/dbraw/zinc/29/65/91/1127296591.db2.gz IZTFGZPYGUFIDJ-LBPRGKRZSA-N 0 1 294.807 3.683 20 0 CHADMN Cc1nc(C2(NC[C@H]3CC(C)=C[C@@H](C)C3)CCCC2)no1 ZINC000573169328 1127298160 /nfs/dbraw/zinc/29/81/60/1127298160.db2.gz APZNPNYDDICJFI-IUODEOHRSA-N 0 1 289.423 3.729 20 0 CHADMN CC(C)[C@@H]1CC[C@H]1N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000573167625 1127298374 /nfs/dbraw/zinc/29/83/74/1127298374.db2.gz RHCJCFSAFILGIL-CWRNSKLLSA-N 0 1 299.418 3.746 20 0 CHADMN CC(C)(C)[C@H]1CCCN1Cc1nc(-c2cccs2)no1 ZINC000591378043 1127300491 /nfs/dbraw/zinc/30/04/91/1127300491.db2.gz AUAUHUASSJKODU-GFCCVEGCSA-N 0 1 291.420 3.809 20 0 CHADMN FCCCCN1CCCn2c(cc3ccccc32)C1 ZINC000287393409 1127303103 /nfs/dbraw/zinc/30/31/03/1127303103.db2.gz PFIIIGBCBKNSKB-UHFFFAOYSA-N 0 1 260.356 3.597 20 0 CHADMN CC(C)CC1(C(=O)Nc2nc(C3CCC3)n[nH]2)CCCC1 ZINC000354338907 1127303810 /nfs/dbraw/zinc/30/38/10/1127303810.db2.gz BENVILIBSZDYHQ-UHFFFAOYSA-N 0 1 290.411 3.617 20 0 CHADMN CC(C)CC1(C(=O)Nc2n[nH]c(C3CCC3)n2)CCCC1 ZINC000354338907 1127303813 /nfs/dbraw/zinc/30/38/13/1127303813.db2.gz BENVILIBSZDYHQ-UHFFFAOYSA-N 0 1 290.411 3.617 20 0 CHADMN CC[N@@H+](Cc1cc(C(F)(F)F)ccc1Cl)[C@H](C)CO ZINC000354411685 1127307048 /nfs/dbraw/zinc/30/70/48/1127307048.db2.gz AMBCJPWHLCZPPB-SECBINFHSA-N 0 1 295.732 3.562 20 0 CHADMN CCN(Cc1cc(C(F)(F)F)ccc1Cl)[C@H](C)CO ZINC000354411685 1127307052 /nfs/dbraw/zinc/30/70/52/1127307052.db2.gz AMBCJPWHLCZPPB-SECBINFHSA-N 0 1 295.732 3.562 20 0 CHADMN COCCCOc1ccc(CN[C@@H](C)c2ccco2)cc1 ZINC000287479556 1127307959 /nfs/dbraw/zinc/30/79/59/1127307959.db2.gz MTTZVTXSTMTCDL-AWEZNQCLSA-N 0 1 289.375 3.546 20 0 CHADMN COC[C@H](NC[C@H](C)SC)c1cccc(Cl)c1F ZINC000287673398 1127311961 /nfs/dbraw/zinc/31/19/61/1127311961.db2.gz MGEJJDIOPXUEEE-CABZTGNLSA-N 0 1 291.819 3.508 20 0 CHADMN CC(C)(C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C1CC1 ZINC000287830025 1127314315 /nfs/dbraw/zinc/31/43/15/1127314315.db2.gz WOGHUKRFAGTUAF-UHFFFAOYSA-N 0 1 293.317 3.875 20 0 CHADMN COC[C@H](N[C@H](C)CSC)c1cccc(Cl)c1F ZINC000287889658 1127314472 /nfs/dbraw/zinc/31/44/72/1127314472.db2.gz YYGMUEWTIQVSSJ-SKDRFNHKSA-N 0 1 291.819 3.508 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000573499415 1127316726 /nfs/dbraw/zinc/31/67/26/1127316726.db2.gz JORHDTBKJJIDHQ-OAHLLOKOSA-N 0 1 293.382 3.925 20 0 CHADMN CCCCCN(C)Cc1cnc(Br)s1 ZINC000718856688 1127317276 /nfs/dbraw/zinc/31/72/76/1127317276.db2.gz GSJCUIFMCDFXPO-UHFFFAOYSA-N 0 1 277.231 3.528 20 0 CHADMN Cc1cc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)cc2cccnc12 ZINC000355212813 1127324653 /nfs/dbraw/zinc/32/46/53/1127324653.db2.gz DVHCBVBRRAQMKY-RDTXWAMCSA-N 0 1 296.414 3.543 20 0 CHADMN CS[C@@H]1CCCCN(Cc2cc(F)ccc2F)C1 ZINC000355221436 1127326512 /nfs/dbraw/zinc/32/65/12/1127326512.db2.gz LRJHQFIFECNYOD-CYBMUJFWSA-N 0 1 271.376 3.682 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2COCc3ccccc32)c(C)n1 ZINC000669426470 1127326621 /nfs/dbraw/zinc/32/66/21/1127326621.db2.gz JQZFALVQLXQJAB-KBXCAEBGSA-N 0 1 282.387 3.621 20 0 CHADMN CS[C@H]1CCCCN(Cc2ccc(F)cc2F)C1 ZINC000355231436 1127327978 /nfs/dbraw/zinc/32/79/78/1127327978.db2.gz BICFGIHCDNEUBW-ZDUSSCGKSA-N 0 1 271.376 3.682 20 0 CHADMN CC(C)CC[C@@H](O)CN[C@@H](c1ccco1)c1ccccc1 ZINC000573795709 1127328815 /nfs/dbraw/zinc/32/88/15/1127328815.db2.gz MOXWYDWHQPFZKY-SJLPKXTDSA-N 0 1 287.403 3.756 20 0 CHADMN Cc1nc([C@H]2CCCN2C[C@H](O)C2CCCCC2)cs1 ZINC000355271294 1127329879 /nfs/dbraw/zinc/32/98/79/1127329879.db2.gz FZWLPTAOCAQNAJ-CVEARBPZSA-N 0 1 294.464 3.530 20 0 CHADMN COCCCC[C@@H](NCc1ccco1)c1ccccc1 ZINC000355277947 1127330740 /nfs/dbraw/zinc/33/07/40/1127330740.db2.gz JMCITWIDZVYQPX-QGZVFWFLSA-N 0 1 273.376 3.927 20 0 CHADMN C[C@@]1(F)CCN(Cc2cccc(-c3ccccn3)c2)C1 ZINC000355369980 1127336739 /nfs/dbraw/zinc/33/67/39/1127336739.db2.gz UJASXCAESBRXFK-QGZVFWFLSA-N 0 1 270.351 3.683 20 0 CHADMN c1ccc2c(c1)CC[C@H]2CSc1nc(C2CC2)n[nH]1 ZINC000355422357 1127341072 /nfs/dbraw/zinc/34/10/72/1127341072.db2.gz AJNYHTPWQKXSIE-LBPRGKRZSA-N 0 1 271.389 3.504 20 0 CHADMN c1ccc2c(c1)CC[C@H]2CSc1n[nH]c(C2CC2)n1 ZINC000355422357 1127341075 /nfs/dbraw/zinc/34/10/75/1127341075.db2.gz AJNYHTPWQKXSIE-LBPRGKRZSA-N 0 1 271.389 3.504 20 0 CHADMN COCc1ccc(CN[C@H]2CCCc3ccc(C)cc32)o1 ZINC000288479064 1127342148 /nfs/dbraw/zinc/34/21/48/1127342148.db2.gz POGIDAIFMFYTJH-SFHVURJKSA-N 0 1 285.387 3.902 20 0 CHADMN CCN(CCC1CC1)Cc1ncc(C(C)C)s1 ZINC000355509839 1127346748 /nfs/dbraw/zinc/34/67/48/1127346748.db2.gz MDWRQPLRMLDECQ-UHFFFAOYSA-N 0 1 252.427 3.889 20 0 CHADMN CO[C@@H](C)c1nc(CN2CCC[C@H]2CC(C)C)cs1 ZINC000355551517 1127348705 /nfs/dbraw/zinc/34/87/05/1127348705.db2.gz IQYAMYATPNWVDV-JSGCOSHPSA-N 0 1 282.453 3.861 20 0 CHADMN Cc1noc(C)c1CNc1ccc(CN(C)C)c(Cl)c1 ZINC000355584053 1127351745 /nfs/dbraw/zinc/35/17/45/1127351745.db2.gz ONJSYXKJVYNHLJ-UHFFFAOYSA-N 0 1 293.798 3.619 20 0 CHADMN Cc1nccc(N2CC[C@@H](C)C(F)(F)C2)c1Cl ZINC000355679496 1127358665 /nfs/dbraw/zinc/35/86/65/1127358665.db2.gz GZENKAQOGKNJRT-MRVPVSSYSA-N 0 1 260.715 3.525 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC[C@]2(CCCOC2)C1 ZINC000355785768 1127364456 /nfs/dbraw/zinc/36/44/56/1127364456.db2.gz LFMCSRBBPKDCJH-GUYCJALGSA-N 0 1 295.373 3.918 20 0 CHADMN CSCCCCCN=c1nc(-c2ccccc2)[nH]s1 ZINC000480310550 1127365139 /nfs/dbraw/zinc/36/51/39/1127365139.db2.gz OMSSHBKKMFSOHW-UHFFFAOYSA-N 0 1 293.461 3.572 20 0 CHADMN CN(Cc1nnc(-c2cccc(Cl)c2)o1)CC(C)(C)C ZINC000592806777 1127362204 /nfs/dbraw/zinc/36/22/04/1127362204.db2.gz LEQDDEKTGRFAMP-UHFFFAOYSA-N 0 1 293.798 3.868 20 0 CHADMN CCN(Cc1cnc([C@@H](C)O)s1)Cc1ccccc1C ZINC000289064527 1127372223 /nfs/dbraw/zinc/37/22/23/1127372223.db2.gz JHHJKOGURGORGQ-CYBMUJFWSA-N 0 1 290.432 3.527 20 0 CHADMN CSC1(CN[C@H](c2nccs2)c2ccccc2)CC1 ZINC000289175599 1127375495 /nfs/dbraw/zinc/37/54/95/1127375495.db2.gz FNMVHAPKYGNTDY-ZDUSSCGKSA-N 0 1 290.457 3.718 20 0 CHADMN CC[C@H](NCc1cnn(C(C)C)c1)c1ccccc1OC ZINC000226240856 1127384403 /nfs/dbraw/zinc/38/44/03/1127384403.db2.gz YEZVJVDDMBYZQE-INIZCTEOSA-N 0 1 287.407 3.714 20 0 CHADMN Cc1cccc2nc(CNC(=O)CCC3CCCCC3)[nH]c21 ZINC000498422290 1127385338 /nfs/dbraw/zinc/38/53/38/1127385338.db2.gz XSIBYMGKINAUJH-UHFFFAOYSA-N 0 1 299.418 3.848 20 0 CHADMN C[C@@H](NC/C=C/c1ccc(F)cc1F)c1ccns1 ZINC001308483232 1127385713 /nfs/dbraw/zinc/38/57/13/1127385713.db2.gz LKZCODSTAOFJRO-VMZHVLLKSA-N 0 1 280.343 3.785 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1nc(CCc2ccccc2)no1 ZINC000357529339 1127391145 /nfs/dbraw/zinc/39/11/45/1127391145.db2.gz NPDIZRKIJBPRSO-HOCLYGCPSA-N 0 1 299.418 3.618 20 0 CHADMN CC/C=C\CCN1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000466829991 1127391853 /nfs/dbraw/zinc/39/18/53/1127391853.db2.gz BDWFHKOFYQCNEY-PFOQBSPMSA-N 0 1 259.393 3.805 20 0 CHADMN CSc1cc(CN[C@@H](C)c2cccc(F)c2)ccn1 ZINC000357858147 1127394746 /nfs/dbraw/zinc/39/47/46/1127394746.db2.gz XKNPMFJSYCFXOL-NSHDSACASA-N 0 1 276.380 3.793 20 0 CHADMN CSc1cc(CN[C@H](C)c2cccc(F)c2)ccn1 ZINC000357858146 1127395248 /nfs/dbraw/zinc/39/52/48/1127395248.db2.gz XKNPMFJSYCFXOL-LLVKDONJSA-N 0 1 276.380 3.793 20 0 CHADMN C[C@H](NCc1cccc(OC(F)F)c1)c1cncs1 ZINC000358141634 1127403690 /nfs/dbraw/zinc/40/36/90/1127403690.db2.gz ZQTTXMZFUXPZKO-VIFPVBQESA-N 0 1 284.331 3.595 20 0 CHADMN CC[C@H](N[C@@H](CO)c1cccc(F)c1)c1ccc(F)cc1 ZINC000358176277 1127406202 /nfs/dbraw/zinc/40/62/02/1127406202.db2.gz NLGIYXMDUSCYHP-IRXDYDNUSA-N 0 1 291.341 3.739 20 0 CHADMN COC[C@H](N[C@@H](C)c1cnccc1C)c1ccc(F)cc1 ZINC000358174154 1127406303 /nfs/dbraw/zinc/40/63/03/1127406303.db2.gz KQPQDIPFCCTOKE-GUYCJALGSA-N 0 1 288.366 3.567 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](NCc1ccn(C)n1)CCC2 ZINC000358234507 1127409642 /nfs/dbraw/zinc/40/96/42/1127409642.db2.gz GKRLSZRWWSLQOZ-SFHVURJKSA-N 0 1 283.419 3.711 20 0 CHADMN CC[C@@H](NC(=O)C(F)(F)C(F)F)c1cccc(Cl)c1 ZINC000226603751 1127411851 /nfs/dbraw/zinc/41/18/51/1127411851.db2.gz OYUQPEXXXASLMQ-SECBINFHSA-N 0 1 297.679 3.808 20 0 CHADMN CC(C)CCC[C@@H](C)NCc1nnc(C(C)C)s1 ZINC000358306458 1127414684 /nfs/dbraw/zinc/41/46/84/1127414684.db2.gz VYQZCRGGIYLJNR-GFCCVEGCSA-N 0 1 269.458 3.966 20 0 CHADMN Cc1nc2ccc(NC(=O)c3csc(C)c3C)cc2[nH]1 ZINC000358480240 1127423068 /nfs/dbraw/zinc/42/30/68/1127423068.db2.gz WFQZGBFYWCANFH-UHFFFAOYSA-N 0 1 285.372 3.802 20 0 CHADMN CCSc1ccccc1[C@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000358364609 1127417892 /nfs/dbraw/zinc/41/78/92/1127417892.db2.gz GIRYTIZVAZPQGM-RYUDHWBXSA-N 0 1 275.421 3.934 20 0 CHADMN CC(C)C[C@@H](C)CSCc1n[nH]c(C2CC2)n1 ZINC000358481432 1127423237 /nfs/dbraw/zinc/42/32/37/1127423237.db2.gz IXDBCCRWVUACHU-SNVBAGLBSA-N 0 1 253.415 3.598 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cc(C)ccc1OC ZINC000358507449 1127424562 /nfs/dbraw/zinc/42/45/62/1127424562.db2.gz KJZVXMYXXZRHIW-AWEZNQCLSA-N 0 1 284.403 3.812 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cc(F)cc(F)c1 ZINC000358501935 1127424632 /nfs/dbraw/zinc/42/46/32/1127424632.db2.gz BKWCSSFHDGBJRF-NSHDSACASA-N 0 1 276.330 3.773 20 0 CHADMN CCOc1ccc([C@H](C)N[C@H]2CCc3cccnc32)cc1 ZINC000226811221 1127426373 /nfs/dbraw/zinc/42/63/73/1127426373.db2.gz YVSCIXBDCRBLLM-GUYCJALGSA-N 0 1 282.387 3.818 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@H]2CCc3cccnc32)cc1 ZINC000226811214 1127426389 /nfs/dbraw/zinc/42/63/89/1127426389.db2.gz YVSCIXBDCRBLLM-DYVFJYSZSA-N 0 1 282.387 3.818 20 0 CHADMN c1cc2c(s1)CCC[C@@H]2N[C@@H]1CCc2cccnc21 ZINC000226819388 1127427042 /nfs/dbraw/zinc/42/70/42/1127427042.db2.gz ADZCWSKEMOLCHH-UONOGXRCSA-N 0 1 270.401 3.798 20 0 CHADMN CCc1nc([C@@H](C)SCc2c(F)cccc2F)n[nH]1 ZINC000594897830 1127433248 /nfs/dbraw/zinc/43/32/48/1127433248.db2.gz SYBOAYAFWAFRJX-MRVPVSSYSA-N 0 1 283.347 3.640 20 0 CHADMN CS[C@H](C)CCC(=O)Nc1cccc(Cl)c1O ZINC000358706389 1127431669 /nfs/dbraw/zinc/43/16/69/1127431669.db2.gz TUPUIFNYIPRATG-MRVPVSSYSA-N 0 1 273.785 3.516 20 0 CHADMN Cc1oc2ccc(NC(=O)[C@@H](C(C)C)N(C)C)cc2c1C ZINC000358709074 1127432312 /nfs/dbraw/zinc/43/23/12/1127432312.db2.gz DMDHKLJCCDBQBF-MRXNPFEDSA-N 0 1 288.391 3.574 20 0 CHADMN O=c1nc(-c2cnc3c(F)cccc3c2)[nH]c2ccsc21 ZINC000358823873 1127434997 /nfs/dbraw/zinc/43/49/97/1127434997.db2.gz BOZOIUFFXNVUHR-UHFFFAOYSA-N 0 1 297.314 3.751 20 0 CHADMN Cc1ccncc1CN1CC(c2nc3ccccc3s2)C1 ZINC000358815331 1127435118 /nfs/dbraw/zinc/43/51/18/1127435118.db2.gz QFGRWDHJXSKLFB-UHFFFAOYSA-N 0 1 295.411 3.599 20 0 CHADMN Cc1nc2ccc(CSc3ccc(O)cc3)cc2[nH]1 ZINC000358858589 1127436396 /nfs/dbraw/zinc/43/63/96/1127436396.db2.gz HKRLBVHXKLGZNT-UHFFFAOYSA-N 0 1 270.357 3.869 20 0 CHADMN Cc1cc(CN[C@H](C)c2cncc(F)c2)c(C)s1 ZINC000358984660 1127442109 /nfs/dbraw/zinc/44/21/09/1127442109.db2.gz DCEVBWJYGSJCFZ-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN COCCCC[C@H](N[C@@H](C)c1cnccn1)c1ccccc1 ZINC000359036297 1127446071 /nfs/dbraw/zinc/44/60/71/1127446071.db2.gz OGUHVIOZYBSKEF-RDJZCZTQSA-N 0 1 299.418 3.685 20 0 CHADMN CCCc1cccc(CN[C@H](CO)c2ccsc2)c1 ZINC000359016372 1127444945 /nfs/dbraw/zinc/44/49/45/1127444945.db2.gz GAURQRPETCBXAR-MRXNPFEDSA-N 0 1 275.417 3.524 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2ccc(F)cc21)c1ccn(C)n1 ZINC000359018356 1127445010 /nfs/dbraw/zinc/44/50/10/1127445010.db2.gz MOGXCVNOYGBUCG-CVEARBPZSA-N 0 1 287.382 3.678 20 0 CHADMN C[C@H](N[C@@H](C)c1cc(F)cc(F)c1)c1cncc(F)c1 ZINC000359229030 1127454386 /nfs/dbraw/zinc/45/43/86/1127454386.db2.gz HOMHFLUCXYVCCV-UWVGGRQHSA-N 0 1 280.293 3.911 20 0 CHADMN COc1cc(C)c(CN(C)Cc2ccc(C)s2)c(C)n1 ZINC000359219145 1127454836 /nfs/dbraw/zinc/45/48/36/1127454836.db2.gz DXLHVEUFAJYEIO-UHFFFAOYSA-N 0 1 290.432 3.709 20 0 CHADMN CCc1nc(C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)cs1 ZINC000359299383 1127457556 /nfs/dbraw/zinc/45/75/56/1127457556.db2.gz LOIMHZOSFHIAQO-DOMZBBRYSA-N 0 1 264.438 3.718 20 0 CHADMN CCc1nc(CN2CC[C@]3(CC[C@@H](C)C3)C2)cs1 ZINC000359299383 1127457558 /nfs/dbraw/zinc/45/75/58/1127457558.db2.gz LOIMHZOSFHIAQO-DOMZBBRYSA-N 0 1 264.438 3.718 20 0 CHADMN CC(C)(C)C(F)(F)CNC[C@H]1CCN(c2ccccc2)C1 ZINC000630074541 1127458774 /nfs/dbraw/zinc/45/87/74/1127458774.db2.gz QJVLLBDDBREVHW-CQSZACIVSA-N 0 1 296.405 3.784 20 0 CHADMN CCC[C@H](CC)[S@](=O)C=C(O)c1cc(C)n(CC)c1C ZINC000359384904 1127461154 /nfs/dbraw/zinc/46/11/54/1127461154.db2.gz GJKXDBUOYSBCTO-VBKZILBWSA-N 0 1 297.464 3.635 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1ccn(-c2cccc(F)c2)n1 ZINC000595571808 1127466144 /nfs/dbraw/zinc/46/61/44/1127466144.db2.gz JMMIMEAZYGTHSP-KBPBESRZSA-N 0 1 287.382 3.774 20 0 CHADMN CCN(CCSC)Cc1cccc(OC)c1Cl ZINC000595568360 1127466433 /nfs/dbraw/zinc/46/64/33/1127466433.db2.gz NUECQKOSKIHYIJ-UHFFFAOYSA-N 0 1 273.829 3.534 20 0 CHADMN C[C@H](CC(=O)OC(C)(C)C)NCc1ccsc1Cl ZINC000359731233 1127475609 /nfs/dbraw/zinc/47/56/09/1127475609.db2.gz AJALNQGKXQRZGS-SECBINFHSA-N 0 1 289.828 3.611 20 0 CHADMN C[C@H](N)c1nc(-c2nc([C@H]3CCC[C@@H](C)C3)no2)cs1 ZINC000227422815 1127475778 /nfs/dbraw/zinc/47/57/78/1127475778.db2.gz YGLKEVHTFFOHLY-UTLUCORTSA-N 0 1 292.408 3.507 20 0 CHADMN Clc1ccc(CNCc2ccnc3ccccc23)o1 ZINC000596245077 1127486251 /nfs/dbraw/zinc/48/62/51/1127486251.db2.gz OTKXARAELDCBMN-UHFFFAOYSA-N 0 1 272.735 3.771 20 0 CHADMN CCCN(CC)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000466838694 1127489328 /nfs/dbraw/zinc/48/93/28/1127489328.db2.gz SJLUPTWWTXIKBJ-UHFFFAOYSA-N 0 1 277.799 3.758 20 0 CHADMN CC(C)Sc1ccc(C[N@H+]2CCOCC3(CC3)C2)cc1 ZINC000360098736 1127490144 /nfs/dbraw/zinc/49/01/44/1127490144.db2.gz PKIMYTYCKKFLFI-UHFFFAOYSA-N 0 1 291.460 3.800 20 0 CHADMN CC(C)Sc1ccc(CN2CCOCC3(CC3)C2)cc1 ZINC000360098736 1127490146 /nfs/dbraw/zinc/49/01/46/1127490146.db2.gz PKIMYTYCKKFLFI-UHFFFAOYSA-N 0 1 291.460 3.800 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)c1 ZINC000360224767 1127492653 /nfs/dbraw/zinc/49/26/53/1127492653.db2.gz GLUHOMCKCQHOJK-LSDHHAIUSA-N 0 1 297.402 3.522 20 0 CHADMN Oc1cccc(C[N@H+]2CC[C@@H](C3CCC3)C2)c1Cl ZINC001308817933 1127493491 /nfs/dbraw/zinc/49/34/91/1127493491.db2.gz NBYAQYIUWMNJST-GFCCVEGCSA-N 0 1 265.784 3.668 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c1Cl ZINC001308817933 1127493492 /nfs/dbraw/zinc/49/34/92/1127493492.db2.gz NBYAQYIUWMNJST-GFCCVEGCSA-N 0 1 265.784 3.668 20 0 CHADMN [O-]c1cccc(C[N@H+]2CC[C@@H](C3CCC3)C2)c1Cl ZINC001308817933 1127493497 /nfs/dbraw/zinc/49/34/97/1127493497.db2.gz NBYAQYIUWMNJST-GFCCVEGCSA-N 0 1 265.784 3.668 20 0 CHADMN C[C@@H](N[C@H](c1cnn(C)c1)c1ccccc1)c1ccccc1 ZINC000360365076 1127497366 /nfs/dbraw/zinc/49/73/66/1127497366.db2.gz GBQGULRAGVIQQC-BEFAXECRSA-N 0 1 291.398 3.860 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1csc(Cl)c1 ZINC000360415554 1127498996 /nfs/dbraw/zinc/49/89/96/1127498996.db2.gz ATSGPLOMMHQRNA-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN Cc1nc([C@H]2CCC[N@H+]2CC[C@@H]2CCCCO2)cs1 ZINC000360614309 1127502938 /nfs/dbraw/zinc/50/29/38/1127502938.db2.gz RVEVOKYPJIPVFE-DZGCQCFKSA-N 0 1 280.437 3.548 20 0 CHADMN Cc1nc([C@H]2CCCN2CC[C@@H]2CCCCO2)cs1 ZINC000360614309 1127502941 /nfs/dbraw/zinc/50/29/41/1127502941.db2.gz RVEVOKYPJIPVFE-DZGCQCFKSA-N 0 1 280.437 3.548 20 0 CHADMN C[C@H](OC(=O)C1=CCCC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000761173263 1127504812 /nfs/dbraw/zinc/50/48/12/1127504812.db2.gz FDDLYJBIOQGQHE-VIFPVBQESA-N 0 1 290.750 3.931 20 0 CHADMN CC(C)SCCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000596592628 1127509966 /nfs/dbraw/zinc/50/99/66/1127509966.db2.gz ZCXMZMLRWWZUMY-CQSZACIVSA-N 0 1 264.438 3.606 20 0 CHADMN CC[C@@H](NCc1conc1C)c1ccc(Cl)s1 ZINC000293645045 1127510422 /nfs/dbraw/zinc/51/04/22/1127510422.db2.gz RXTQOVJHSSFEMW-SNVBAGLBSA-N 0 1 270.785 3.939 20 0 CHADMN CO[C@@H](C[NH2+]Cc1cccc([O-])c1Cl)c1ccccc1 ZINC000293679807 1127512351 /nfs/dbraw/zinc/51/23/51/1127512351.db2.gz VJTPUIWMSQETBS-HNNXBMFYSA-N 0 1 291.778 3.523 20 0 CHADMN CO[C@@H](CNCc1cccc(O)c1Cl)c1ccccc1 ZINC000293679807 1127512353 /nfs/dbraw/zinc/51/23/53/1127512353.db2.gz VJTPUIWMSQETBS-HNNXBMFYSA-N 0 1 291.778 3.523 20 0 CHADMN COC[C@@H](NCc1ccc(C(C)C)nc1C)c1ccccc1 ZINC000293766941 1127518803 /nfs/dbraw/zinc/51/88/03/1127518803.db2.gz KPAGQRLNMJGWNY-LJQANCHMSA-N 0 1 298.430 3.991 20 0 CHADMN COC[C@H](NCc1ccc(C(C)C)nc1C)c1ccccc1 ZINC000293766938 1127518933 /nfs/dbraw/zinc/51/89/33/1127518933.db2.gz KPAGQRLNMJGWNY-IBGZPJMESA-N 0 1 298.430 3.991 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1CCCc2sccc21 ZINC000293852018 1127525987 /nfs/dbraw/zinc/52/59/87/1127525987.db2.gz YLROHMGIXJXHRF-CQSZACIVSA-N 0 1 276.405 3.774 20 0 CHADMN Cc1nc([C@H](C)N[C@H]2CCCO[C@@H]2CC(C)C)cs1 ZINC000360984606 1127526172 /nfs/dbraw/zinc/52/61/72/1127526172.db2.gz FHTCPIBZTKPNGK-CORIIIEPSA-N 0 1 282.453 3.696 20 0 CHADMN CCc1nc(CCN[C@@H](C)c2csc(C)n2)sc1C ZINC000361003716 1127528145 /nfs/dbraw/zinc/52/81/45/1127528145.db2.gz PKBVTFNSVNYUBJ-VIFPVBQESA-N 0 1 295.477 3.672 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN[C@H]1CCCc2c[nH]nc21 ZINC000361027627 1127531678 /nfs/dbraw/zinc/53/16/78/1127531678.db2.gz GDAYHVIGIWSBHE-HNNXBMFYSA-N 0 1 289.810 3.847 20 0 CHADMN C[C@H]1c2ccccc2CN1CCC(=O)Nc1ccccc1F ZINC000361054369 1127534163 /nfs/dbraw/zinc/53/41/63/1127534163.db2.gz BERCHQPTBMRDQV-ZDUSSCGKSA-N 0 1 298.361 3.731 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](C(F)(F)F)[C@@H]2C)o1 ZINC000361139904 1127542083 /nfs/dbraw/zinc/54/20/83/1127542083.db2.gz INTOCMDIJAFNNO-CMPLNLGQSA-N 0 1 261.287 3.751 20 0 CHADMN COCc1ccc(CN2CCC[C@@H](C(F)(F)F)[C@@H]2C)o1 ZINC000361154370 1127542467 /nfs/dbraw/zinc/54/24/67/1127542467.db2.gz PDUSQTLIEJZUAT-GXFFZTMASA-N 0 1 291.313 3.589 20 0 CHADMN CSc1ccccc1CN[C@H](C)c1cccnc1 ZINC000361087899 1127537143 /nfs/dbraw/zinc/53/71/43/1127537143.db2.gz NVZKTBATPDALBF-GFCCVEGCSA-N 0 1 258.390 3.654 20 0 CHADMN COCC[C@H](N[C@H](C)c1ccccn1)c1ccccc1 ZINC000361147080 1127542856 /nfs/dbraw/zinc/54/28/56/1127542856.db2.gz RBXWPIKMVRRDCE-PBHICJAKSA-N 0 1 270.376 3.510 20 0 CHADMN O=C(N[C@@H]1CCCCC12CCCC2)c1ccc2cncn2c1 ZINC000361205585 1127546885 /nfs/dbraw/zinc/54/68/85/1127546885.db2.gz ZULIYOKBFOOTCX-MRXNPFEDSA-N 0 1 297.402 3.567 20 0 CHADMN Cc1nocc1CN[C@H](c1ccccc1)C(C)(C)C ZINC000294144413 1127552433 /nfs/dbraw/zinc/55/24/33/1127552433.db2.gz ONKRMOAPLRWNOC-OAHLLOKOSA-N 0 1 258.365 3.860 20 0 CHADMN CN(Cc1nc2ccccc2o1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000361325300 1127557224 /nfs/dbraw/zinc/55/72/24/1127557224.db2.gz RQLFCOUTCMXSIL-GDBMZVCRSA-N 0 1 278.355 3.816 20 0 CHADMN FC(F)(F)c1cncc(CNC2(c3ccccc3)CC2)c1 ZINC000361348310 1127558662 /nfs/dbraw/zinc/55/86/62/1127558662.db2.gz JJFNHHJXTDFXCO-UHFFFAOYSA-N 0 1 292.304 3.879 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1cncc(C(F)(F)F)c1 ZINC000361357224 1127559147 /nfs/dbraw/zinc/55/91/47/1127559147.db2.gz WNGHNRGDVNACHK-GWCFXTLKSA-N 0 1 272.314 3.863 20 0 CHADMN Fc1ccc2c(c1)CN([C@H]1C[C@H]1c1ccccc1)CCO2 ZINC000361392938 1127561031 /nfs/dbraw/zinc/56/10/31/1127561031.db2.gz VFKCEQASYACLFB-IRXDYDNUSA-N 0 1 283.346 3.576 20 0 CHADMN Oc1ccc2c(c1)CN([C@H]1CCc3ccc(F)cc31)CC2 ZINC000361399334 1127561239 /nfs/dbraw/zinc/56/12/39/1127561239.db2.gz DJDYCEMAXKKEQM-SFHVURJKSA-N 0 1 283.346 3.577 20 0 CHADMN CN(C)[C@@H](CNc1nccc2sccc21)c1ccco1 ZINC000597895768 1127567601 /nfs/dbraw/zinc/56/76/01/1127567601.db2.gz IPNLEOVYLCJSEI-LBPRGKRZSA-N 0 1 287.388 3.604 20 0 CHADMN CCN(Cc1nc(C2CC2)cs1)CC(C)(C)C ZINC000361527001 1127569913 /nfs/dbraw/zinc/56/99/13/1127569913.db2.gz FCRDCKJLIFIFTK-UHFFFAOYSA-N 0 1 252.427 3.889 20 0 CHADMN CC(C)C[C@@H](N)c1noc(Cc2ccc3ccccc3c2)n1 ZINC000361602410 1127576135 /nfs/dbraw/zinc/57/61/35/1127576135.db2.gz QTJSTYYBSGCZCG-MRXNPFEDSA-N 0 1 295.386 3.860 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2coc3ccccc23)n1 ZINC000361603309 1127576350 /nfs/dbraw/zinc/57/63/50/1127576350.db2.gz VWBZSFBYFJYRKO-LBPRGKRZSA-N 0 1 271.320 3.529 20 0 CHADMN Cn1nccc1[C@H]1CCCN(Cc2ccsc2Cl)C1 ZINC000361550875 1127571930 /nfs/dbraw/zinc/57/19/30/1127571930.db2.gz TZMXKUHRQKOTIY-NSHDSACASA-N 0 1 295.839 3.515 20 0 CHADMN CC[C@@H](C)CN(CC)Cc1nccn1-c1ccccc1 ZINC000361578278 1127573825 /nfs/dbraw/zinc/57/38/25/1127573825.db2.gz OLFDRBOWQNRYQK-OAHLLOKOSA-N 0 1 271.408 3.740 20 0 CHADMN FC(F)(F)c1csc(CN(CC2CC2)C2CCC2)n1 ZINC000361583650 1127574296 /nfs/dbraw/zinc/57/42/96/1127574296.db2.gz LUJXEJJGFOHIML-UHFFFAOYSA-N 0 1 290.354 3.926 20 0 CHADMN Cc1cc(CN(C)[C@@H]2CCCC[C@H]2C(F)(F)F)on1 ZINC000361589957 1127574370 /nfs/dbraw/zinc/57/43/70/1127574370.db2.gz IOCANFJLJSNEQC-VXGBXAGGSA-N 0 1 276.302 3.536 20 0 CHADMN COCCN(Cc1csc(C2CC2)n1)[C@@H]1CC[C@H](C)C1 ZINC000361640750 1127578240 /nfs/dbraw/zinc/57/82/40/1127578240.db2.gz VNWBSYXFTDRJAS-SWLSCSKDSA-N 0 1 294.464 3.658 20 0 CHADMN C[C@H]1CCSCCN1Cc1cc(Cl)ccc1F ZINC000361647482 1127578973 /nfs/dbraw/zinc/57/89/73/1127578973.db2.gz YMEQCANQIMJLTH-JTQLQIEISA-N 0 1 273.804 3.807 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1nc2c(s1)C[C@@H](C)CC2 ZINC000361747099 1127586151 /nfs/dbraw/zinc/58/61/51/1127586151.db2.gz YJDKMIXRZQAMIM-DTWKUNHWSA-N 0 1 292.370 3.698 20 0 CHADMN CCc1nc(C)c([C@H](C)N(C)Cc2ccncc2C)s1 ZINC000294685173 1127591162 /nfs/dbraw/zinc/59/11/62/1127591162.db2.gz DJSNNMHVODYRGD-ZDUSSCGKSA-N 0 1 289.448 3.910 20 0 CHADMN Cc1ccc2c(c1)CCN([C@@H](C)c1cccnc1)C2 ZINC000361847209 1127594000 /nfs/dbraw/zinc/59/40/00/1127594000.db2.gz BHQCVIGDWXPPPB-AWEZNQCLSA-N 0 1 252.361 3.509 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)c1ccc(F)cc1 ZINC000170184849 1127594964 /nfs/dbraw/zinc/59/49/64/1127594964.db2.gz CCCUCSNRRVJXTH-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccccc1)c1ccc(F)cc1F ZINC000361888664 1127597387 /nfs/dbraw/zinc/59/73/87/1127597387.db2.gz LCUFSSSWFJUMIQ-PXAZEXFGSA-N 0 1 291.341 3.739 20 0 CHADMN COCc1ccc(CNCc2cccc(C)c2F)cc1 ZINC000294763279 1127597813 /nfs/dbraw/zinc/59/78/13/1127597813.db2.gz LYOFUSJJAHYXFT-UHFFFAOYSA-N 0 1 273.351 3.570 20 0 CHADMN CCc1nocc1CN(C)C/C(C)=C/c1ccccc1 ZINC000294768953 1127598132 /nfs/dbraw/zinc/59/81/32/1127598132.db2.gz SSUIUFOFIRICAH-GXDHUFHOSA-N 0 1 270.376 3.772 20 0 CHADMN CSC1CCN(Cc2cnc(C(C)(C)C)s2)CC1 ZINC000602724162 1127609224 /nfs/dbraw/zinc/60/92/24/1127609224.db2.gz AJHCQWUFMFAYGH-UHFFFAOYSA-N 0 1 284.494 3.768 20 0 CHADMN COc1cc(CN2CCC(SC)CC2)ccc1Cl ZINC000602725628 1127609319 /nfs/dbraw/zinc/60/93/19/1127609319.db2.gz IDCGEJBVVCRPST-UHFFFAOYSA-N 0 1 285.840 3.676 20 0 CHADMN Cc1cnc(CNC[C@H](C)Oc2cccc(Cl)c2)s1 ZINC000294936032 1127609444 /nfs/dbraw/zinc/60/94/44/1127609444.db2.gz BNIOIJPESMLASW-JTQLQIEISA-N 0 1 296.823 3.662 20 0 CHADMN CC(C)(C)c1[nH]ncc1C(=O)Nc1ccsc1Cl ZINC000295035060 1127616125 /nfs/dbraw/zinc/61/61/25/1127616125.db2.gz XVSLELVUBGMZNE-UHFFFAOYSA-N 0 1 283.784 3.674 20 0 CHADMN CN(CCC(C)(C)C)Cc1cc(-c2ccco2)on1 ZINC000602877482 1127619384 /nfs/dbraw/zinc/61/93/84/1127619384.db2.gz XXXDVXMBYJWZBL-UHFFFAOYSA-N 0 1 262.353 3.803 20 0 CHADMN CC1(C)C[C@@H]1NCc1c(Cl)cccc1OC(F)F ZINC000602910974 1127620067 /nfs/dbraw/zinc/62/00/67/1127620067.db2.gz QIQSNIYOMBXTSO-NSHDSACASA-N 0 1 275.726 3.830 20 0 CHADMN Cc1cc(Cl)ccc1CN[C@@H](CO)c1ccc(F)cc1 ZINC000295120704 1127621795 /nfs/dbraw/zinc/62/17/95/1127621795.db2.gz NDZSCJVAJJQHQC-INIZCTEOSA-N 0 1 293.769 3.611 20 0 CHADMN CSC1CCN(Cc2nc3cc(C)ccc3s2)CC1 ZINC000602918583 1127621794 /nfs/dbraw/zinc/62/17/94/1127621794.db2.gz BRKWHSRTDBVALY-UHFFFAOYSA-N 0 1 292.473 3.932 20 0 CHADMN CC1=C[C@@H](C)C[C@@H](CNCc2ncc(C(F)(F)F)cn2)C1 ZINC000295131251 1127621992 /nfs/dbraw/zinc/62/19/92/1127621992.db2.gz YLGBXOZAMWIBGN-ZYHUDNBSSA-N 0 1 299.340 3.577 20 0 CHADMN CN(CCSC1CCCCC1)Cc1ccccn1 ZINC000295206952 1127627550 /nfs/dbraw/zinc/62/75/50/1127627550.db2.gz UBGVJKSSGVOWJA-UHFFFAOYSA-N 0 1 264.438 3.579 20 0 CHADMN Cc1nn(-c2ccccc2)cc1CN1CC2(C1)CCCC2 ZINC000362326299 1127628384 /nfs/dbraw/zinc/62/83/84/1127628384.db2.gz WWEOJESLNIGUMW-UHFFFAOYSA-N 0 1 281.403 3.557 20 0 CHADMN Cc1nocc1CN1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000295292029 1127633409 /nfs/dbraw/zinc/63/34/09/1127633409.db2.gz JHAAGFDYJATOFN-BZNIZROVSA-N 0 1 274.339 3.705 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cnn(CC(F)F)c2)cc1 ZINC000295370636 1127638355 /nfs/dbraw/zinc/63/83/55/1127638355.db2.gz OJZWQYHFJHZWKX-CYBMUJFWSA-N 0 1 293.361 3.650 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cnsc2)cc1 ZINC001232227318 1127640145 /nfs/dbraw/zinc/64/01/45/1127640145.db2.gz KPZCAVBHPIQZGU-OAHLLOKOSA-N 0 1 258.390 3.789 20 0 CHADMN Cc1nocc1CN1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000295396441 1127640637 /nfs/dbraw/zinc/64/06/37/1127640637.db2.gz QIMBBKIEPMGHII-MEDUHNTESA-N 0 1 274.339 3.705 20 0 CHADMN Cn1ccc(CN2CCC(c3c(F)cccc3F)CC2)c1 ZINC000362506946 1127641140 /nfs/dbraw/zinc/64/11/40/1127641140.db2.gz CKBCTRGGWRKMGY-UHFFFAOYSA-N 0 1 290.357 3.683 20 0 CHADMN C[C@H](N[C@@H](C)c1cnccn1)c1cccc(C2CC2)c1 ZINC000295417342 1127642625 /nfs/dbraw/zinc/64/26/25/1127642625.db2.gz NEVUZYLSDGTJBV-STQMWFEESA-N 0 1 267.376 3.766 20 0 CHADMN Clc1cccc([C@@H]2CCN(Cc3cnsc3)C2)c1 ZINC001232230125 1127642942 /nfs/dbraw/zinc/64/29/42/1127642942.db2.gz DZJZOHPZERREFM-CYBMUJFWSA-N 0 1 278.808 3.786 20 0 CHADMN c1nnsc1CN1CCCCC[C@H]1c1ccccc1 ZINC000295453822 1127643205 /nfs/dbraw/zinc/64/32/05/1127643205.db2.gz HJNSPVXPWJQTRB-HNNXBMFYSA-N 0 1 273.405 3.655 20 0 CHADMN C[C@@H](N[C@@H](C)C1(C)CC1)c1ncc(Br)s1 ZINC000380140476 1127646825 /nfs/dbraw/zinc/64/68/25/1127646825.db2.gz VLCBVVXOGQNXAI-SFYZADRCSA-N 0 1 289.242 3.745 20 0 CHADMN Cc1cnc(CNC[C@H](C)Oc2ccc(Cl)cc2)s1 ZINC000295659854 1127649621 /nfs/dbraw/zinc/64/96/21/1127649621.db2.gz JIGOLEBHIZPUIB-JTQLQIEISA-N 0 1 296.823 3.662 20 0 CHADMN COc1cccc(CN[C@H]2CCc3ccc(F)cc32)c1F ZINC000669681743 1127650679 /nfs/dbraw/zinc/65/06/79/1127650679.db2.gz KVTXXVONNYQQFK-HNNXBMFYSA-N 0 1 289.325 3.751 20 0 CHADMN CCC(F)(F)CN[C@@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000598996414 1127650911 /nfs/dbraw/zinc/65/09/11/1127650911.db2.gz IYOXCDWPEURHCN-QWHCGFSZSA-N 0 1 291.382 3.523 20 0 CHADMN CCn1nc(C)c(CNc2ccnc3cc(F)ccc32)c1C ZINC000603494241 1127654359 /nfs/dbraw/zinc/65/43/59/1127654359.db2.gz JKAAVZVPYXYGQG-UHFFFAOYSA-N 0 1 298.365 3.819 20 0 CHADMN CCn1cc([C@H](C)N[C@H](C)c2nccc3ccccc32)cn1 ZINC000296056709 1127662252 /nfs/dbraw/zinc/66/22/52/1127662252.db2.gz VMXRETHJUMLAFH-UONOGXRCSA-N 0 1 294.402 3.863 20 0 CHADMN C[C@@H](NCc1nccc(C(F)F)n1)[C@@H]1CCCC[C@H]1C ZINC000296140337 1127663585 /nfs/dbraw/zinc/66/35/85/1127663585.db2.gz VBYMJUAEESLEJV-IJLUTSLNSA-N 0 1 283.366 3.719 20 0 CHADMN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ncccc2Cl)C1 ZINC000599304124 1127666877 /nfs/dbraw/zinc/66/68/77/1127666877.db2.gz WZRAEUJXRKQHJV-NEPJUHHUSA-N 0 1 284.856 3.841 20 0 CHADMN CCS[C@H]1CC[C@@H](N(C)Cc2ncccc2Cl)C1 ZINC000599304124 1127666879 /nfs/dbraw/zinc/66/68/79/1127666879.db2.gz WZRAEUJXRKQHJV-NEPJUHHUSA-N 0 1 284.856 3.841 20 0 CHADMN CCCCCc1ccc(NC(=O)[C@H]2CCCCN2C)cc1 ZINC000599303278 1127667474 /nfs/dbraw/zinc/66/74/74/1127667474.db2.gz MQZXIWRVUAVIEZ-QGZVFWFLSA-N 0 1 288.435 3.842 20 0 CHADMN Cc1cccc(Cl)c1CN[C@H](C)c1cccnc1 ZINC000296317269 1127668669 /nfs/dbraw/zinc/66/86/69/1127668669.db2.gz OABJHKUNXSPLCK-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN CC(C)c1nc(CN[C@@H]2C[C@H](C(C)C)c3ccccc32)n[nH]1 ZINC000296393632 1127670778 /nfs/dbraw/zinc/67/07/78/1127670778.db2.gz KFCUQPOPMCYVGF-HZPDHXFCSA-N 0 1 298.434 3.902 20 0 CHADMN CC[C@H](N[C@@H](CCO)c1ccco1)c1ccsc1 ZINC000296545481 1127675397 /nfs/dbraw/zinc/67/53/97/1127675397.db2.gz SOFJLHOPOZUQFT-STQMWFEESA-N 0 1 265.378 3.506 20 0 CHADMN CCn1ccnc1[C@@H](C)NCCc1cc2ccccc2o1 ZINC000296753893 1127682519 /nfs/dbraw/zinc/68/25/19/1127682519.db2.gz JWXRCTIPYHAKGW-CYBMUJFWSA-N 0 1 283.375 3.543 20 0 CHADMN Cc1nnc(CN2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)s1 ZINC000296728503 1127682790 /nfs/dbraw/zinc/68/27/90/1127682790.db2.gz NXEZCRXVHHFWGO-XUJVJEKNSA-N 0 1 287.432 3.613 20 0 CHADMN CC(C)CC[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccoc1 ZINC000296655965 1127680738 /nfs/dbraw/zinc/68/07/38/1127680738.db2.gz ZIAZQQPSMBCYIZ-CQSZACIVSA-N 0 1 288.395 3.542 20 0 CHADMN C[C@@H](NCc1cc(C2CC2)ccc1F)c1ccncc1 ZINC000297181563 1127690143 /nfs/dbraw/zinc/69/01/43/1127690143.db2.gz DYLWSBCDYYDJLV-GFCCVEGCSA-N 0 1 270.351 3.949 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000604053790 1127691541 /nfs/dbraw/zinc/69/15/41/1127691541.db2.gz GDHBCGXISJUGDN-CQSZACIVSA-N 0 1 292.398 3.522 20 0 CHADMN CC(C)[C@@H]1CCCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000604053790 1127691542 /nfs/dbraw/zinc/69/15/42/1127691542.db2.gz GDHBCGXISJUGDN-CQSZACIVSA-N 0 1 292.398 3.522 20 0 CHADMN CC(C)CCc1noc(C[N@H+]2CCC[C@@H](C(C)C)CC2)n1 ZINC000604055258 1127691900 /nfs/dbraw/zinc/69/19/00/1127691900.db2.gz XKSHISUBJYMSID-OAHLLOKOSA-N 0 1 293.455 3.916 20 0 CHADMN CC(C)CCc1noc(CN2CCC[C@@H](C(C)C)CC2)n1 ZINC000604055258 1127691903 /nfs/dbraw/zinc/69/19/03/1127691903.db2.gz XKSHISUBJYMSID-OAHLLOKOSA-N 0 1 293.455 3.916 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2F)CC1 ZINC000604053791 1127691943 /nfs/dbraw/zinc/69/19/43/1127691943.db2.gz GFOANZQLNNLRMK-AWEZNQCLSA-N 0 1 292.398 3.522 20 0 CHADMN CC(C)[C@H]1CCCN(CC(=O)Nc2ccccc2F)CC1 ZINC000604053791 1127691945 /nfs/dbraw/zinc/69/19/45/1127691945.db2.gz GFOANZQLNNLRMK-AWEZNQCLSA-N 0 1 292.398 3.522 20 0 CHADMN CN(Cc1nc(C2CC2)no1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297414675 1127696291 /nfs/dbraw/zinc/69/62/91/1127696291.db2.gz DGCRBSCBLUIDLX-HZPDHXFCSA-N 0 1 297.402 3.715 20 0 CHADMN CSc1ccc(CN2CC(C)(C)OCC2(C)C)cc1 ZINC000604386853 1127704159 /nfs/dbraw/zinc/70/41/59/1127704159.db2.gz UNWVQCMNBSGZEF-UHFFFAOYSA-N 0 1 279.449 3.798 20 0 CHADMN CC[C@H]1COCCN1CCCOc1ccc2ccccc2c1 ZINC000604396867 1127705011 /nfs/dbraw/zinc/70/50/11/1127705011.db2.gz YICUIJKIQYGNIX-SFHVURJKSA-N 0 1 299.414 3.720 20 0 CHADMN CC[C@H](C)CN(C)Cc1nc(Cl)ccc1Cl ZINC000061630402 1127707134 /nfs/dbraw/zinc/70/71/34/1127707134.db2.gz FMUYMWKURJEWGY-VIFPVBQESA-N 0 1 261.196 3.866 20 0 CHADMN Cc1cncc(CN2CCC[C@H]2c2ccsc2)c1 ZINC000364783384 1127712311 /nfs/dbraw/zinc/71/23/11/1127712311.db2.gz FCBKLUXKNQLZBT-HNNXBMFYSA-N 0 1 258.390 3.789 20 0 CHADMN Cc1cc(F)ccc1C1CCN([C@@H](C)c2cnccn2)CC1 ZINC000298231441 1127716938 /nfs/dbraw/zinc/71/69/38/1127716938.db2.gz HLWQUDJNYHXYLS-AWEZNQCLSA-N 0 1 299.393 3.865 20 0 CHADMN CC[C@H]1CCCN(Cc2nccn2Cc2ccccc2)CC1 ZINC000604998844 1127724613 /nfs/dbraw/zinc/72/46/13/1127724613.db2.gz HDLPYAAQFKUOQQ-KRWDZBQOSA-N 0 1 297.446 3.944 20 0 CHADMN CC(C)OCCN[C@H](C)c1nc2ccccc2n1C(F)F ZINC000298510388 1127724983 /nfs/dbraw/zinc/72/49/83/1127724983.db2.gz QCJOFIAQQLOQNC-LLVKDONJSA-N 0 1 297.349 3.507 20 0 CHADMN CC[C@H]1CCCN(CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000604999011 1127725183 /nfs/dbraw/zinc/72/51/83/1127725183.db2.gz BXNFCTAUKZKQOM-ZDUSSCGKSA-N 0 1 294.826 3.791 20 0 CHADMN CC(C)[C@@H](CN1CCC[C@H]1c1ncon1)c1ccccc1 ZINC000365427068 1127728860 /nfs/dbraw/zinc/72/88/60/1127728860.db2.gz ZFGXQBIEDJADLY-CVEARBPZSA-N 0 1 285.391 3.646 20 0 CHADMN CC(C)[C@@H](CN1CCC[C@@H]1c1ncon1)c1ccccc1 ZINC000365427070 1127728894 /nfs/dbraw/zinc/72/88/94/1127728894.db2.gz ZFGXQBIEDJADLY-HZPDHXFCSA-N 0 1 285.391 3.646 20 0 CHADMN CC(C)C[C@@H]1COCCN1CCSc1ccccc1 ZINC000605151007 1127730156 /nfs/dbraw/zinc/73/01/56/1127730156.db2.gz UHICPPKXJOBBDD-OAHLLOKOSA-N 0 1 279.449 3.526 20 0 CHADMN C[C@@H]1SCCN(CCSc2ccccc2F)[C@H]1C ZINC000605317139 1127734454 /nfs/dbraw/zinc/73/44/54/1127734454.db2.gz WBZSAHHZPNXMIR-RYUDHWBXSA-N 0 1 285.453 3.744 20 0 CHADMN Cc1ncc(CN2CCS[C@H](c3ccccc3)C2)s1 ZINC000605155214 1127731207 /nfs/dbraw/zinc/73/12/07/1127731207.db2.gz LKNFPTWFNSRFHL-HNNXBMFYSA-N 0 1 290.457 3.742 20 0 CHADMN Cc1cc(-c2noc([C@H](C)NCC3CCC3)n2)ccc1F ZINC000298882062 1127736774 /nfs/dbraw/zinc/73/67/74/1127736774.db2.gz OVWLFNGLYQDAHN-NSHDSACASA-N 0 1 289.354 3.635 20 0 CHADMN CCN(Cc1nccn1Cc1ccccc1)C(C)(C)C ZINC001326473781 1127744738 /nfs/dbraw/zinc/74/47/38/1127744738.db2.gz ZTXZYDJKBHQJEN-UHFFFAOYSA-N 0 1 271.408 3.552 20 0 CHADMN CO[C@@]1(C)CCC[N@@H+](Cc2ncc(C(C)C)s2)CC1 ZINC000366274479 1127745079 /nfs/dbraw/zinc/74/50/79/1127745079.db2.gz UUVBUMHBYDXOKG-HNNXBMFYSA-N 0 1 282.453 3.658 20 0 CHADMN CO[C@@]1(C)CCCN(Cc2ncc(C(C)C)s2)CC1 ZINC000366274479 1127745081 /nfs/dbraw/zinc/74/50/81/1127745081.db2.gz UUVBUMHBYDXOKG-HNNXBMFYSA-N 0 1 282.453 3.658 20 0 CHADMN Fc1ccc(CN2CC[C@@H](C3CC3)C2)cc1Br ZINC000400044670 1127761145 /nfs/dbraw/zinc/76/11/45/1127761145.db2.gz RHOMJDQUYPGMHX-GFCCVEGCSA-N 0 1 298.199 3.820 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1nc2ccccc2c(=O)[nH]1 ZINC000606433982 1127761661 /nfs/dbraw/zinc/76/16/61/1127761661.db2.gz FPFUEUWUTDHAOY-CJNGLKHVSA-N 0 1 299.418 3.736 20 0 CHADMN C[C@H]1c2ccc(F)cc2CCN1Cc1ccccc1 ZINC000606448700 1127762939 /nfs/dbraw/zinc/76/29/39/1127762939.db2.gz FCQHSVJYHVEVQD-ZDUSSCGKSA-N 0 1 255.336 3.945 20 0 CHADMN C([C@@H]1CCC2(CCCCC2)O1)N1CCOC2(CCCC2)C1 ZINC000409446816 1127768767 /nfs/dbraw/zinc/76/87/67/1127768767.db2.gz IDOYGUDREOMMDD-INIZCTEOSA-N 0 1 293.451 3.513 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1Cc1csc(C2CC2)n1 ZINC000409444835 1127769351 /nfs/dbraw/zinc/76/93/51/1127769351.db2.gz ODXPPKAKUHTNRQ-ZWNOBZJWSA-N 0 1 250.411 3.641 20 0 CHADMN C[C@H](NCc1ccc(CO)cc1)c1nc2ccccc2s1 ZINC000230637463 1127769559 /nfs/dbraw/zinc/76/95/59/1127769559.db2.gz IQCMTGKAIJVINR-LBPRGKRZSA-N 0 1 298.411 3.639 20 0 CHADMN COC(C)(C)CCN1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000409446410 1127770010 /nfs/dbraw/zinc/77/00/10/1127770010.db2.gz NOTPEHPVVZFHCG-OAHLLOKOSA-N 0 1 297.826 3.528 20 0 CHADMN CC(C)CN(Cc1ncc(C(C)(C)C)o1)C1CC1 ZINC000409445137 1127770870 /nfs/dbraw/zinc/77/08/70/1127770870.db2.gz JFNJWSBXBWDLDR-UHFFFAOYSA-N 0 1 250.386 3.593 20 0 CHADMN CN(CCOC1CCCCCC1)Cc1ccccc1F ZINC000607150325 1127793489 /nfs/dbraw/zinc/79/34/89/1127793489.db2.gz RNSYPRHBAMYODU-UHFFFAOYSA-N 0 1 279.399 3.997 20 0 CHADMN C[C@H](NCCC(F)(F)F)c1nc2ccccc2s1 ZINC000063098742 1127795682 /nfs/dbraw/zinc/79/56/82/1127795682.db2.gz AFUAFHCRWSRRQL-QMMMGPOBSA-N 0 1 274.311 3.899 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1csc(Br)c1 ZINC000607155410 1127796222 /nfs/dbraw/zinc/79/62/22/1127796222.db2.gz UIHSTCZDBXBYIS-DTWKUNHWSA-N 0 1 274.227 3.741 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1C[C@H](C)C[C@H]1C ZINC000607155497 1127796675 /nfs/dbraw/zinc/79/66/75/1127796675.db2.gz IBCCKNXGZDMNSP-GHMZBOCLSA-N 0 1 276.405 3.942 20 0 CHADMN Fc1cccc(CN[C@H](Cn2cccn2)c2ccccc2)c1 ZINC000607365965 1127801752 /nfs/dbraw/zinc/80/17/52/1127801752.db2.gz HGPDNYZKNCWRIU-GOSISDBHSA-N 0 1 295.361 3.553 20 0 CHADMN CC(C)n1nccc1CN(C)CCCCc1ccccc1 ZINC000410325186 1127805104 /nfs/dbraw/zinc/80/51/04/1127805104.db2.gz HIUWEGLLBKCAPF-UHFFFAOYSA-N 0 1 285.435 3.919 20 0 CHADMN CC1CCC(N(Cn2cc[nH]c2=S)C2CC2)CC1 ZINC000173306727 1127819150 /nfs/dbraw/zinc/81/91/50/1127819150.db2.gz HLZZSSMBQOAQFU-UHFFFAOYSA-N 0 1 265.426 3.546 20 0 CHADMN C[C@@H](c1cn(-c2ccccc2)nn1)N1C[C@@H](C)CC(C)(C)C1 ZINC001168423442 1127815778 /nfs/dbraw/zinc/81/57/78/1127815778.db2.gz KJEYVMSOKXTOHA-GJZGRUSLSA-N 0 1 298.434 3.696 20 0 CHADMN Fc1ccc(CN(CC2CC2)Cn2cc[nH]c2=S)cc1 ZINC000173349582 1127820331 /nfs/dbraw/zinc/82/03/31/1127820331.db2.gz ZQPXMDACPHDLIU-UHFFFAOYSA-N 0 1 291.395 3.554 20 0 CHADMN CCc1ccc(-c2noc(CN3CCC[C@@H](C)[C@H]3C)n2)cc1 ZINC000607740746 1127822527 /nfs/dbraw/zinc/82/25/27/1127822527.db2.gz RHASNRVOJYUFSJ-ZIAGYGMSSA-N 0 1 299.418 3.919 20 0 CHADMN Cc1ccc(-c2noc(CN3CCC[C@@H](C)[C@H]3C)n2)cc1 ZINC000607740503 1127822767 /nfs/dbraw/zinc/82/27/67/1127822767.db2.gz YWCWVMUZZFQOTN-ZIAGYGMSSA-N 0 1 285.391 3.665 20 0 CHADMN CCOCCCN(C)Cc1ccc(Cl)cc1Cl ZINC000607725246 1127824916 /nfs/dbraw/zinc/82/49/16/1127824916.db2.gz FVORQENYFXFYEM-UHFFFAOYSA-N 0 1 276.207 3.852 20 0 CHADMN Cc1noc([C@H](C)N2CC[C@H](c3ccccc3)[C@@H](C)C2)n1 ZINC000607752138 1127825882 /nfs/dbraw/zinc/82/58/82/1127825882.db2.gz JOGJOSQXZKSXGA-XEZPLFJOSA-N 0 1 285.391 3.565 20 0 CHADMN Cc1nc(C)c(CN2CCOc3ccccc3[C@H]2C)s1 ZINC000607728627 1127826432 /nfs/dbraw/zinc/82/64/32/1127826432.db2.gz BWMPPRCHVBYNGV-GFCCVEGCSA-N 0 1 288.416 3.716 20 0 CHADMN CCCN(Cc1csc(CCC(C)C)n1)CC(C)(C)O ZINC000607753760 1127827301 /nfs/dbraw/zinc/82/73/01/1127827301.db2.gz WDLCPDPEEFFARU-UHFFFAOYSA-N 0 1 298.496 3.715 20 0 CHADMN CC[C@@H](c1ccccc1)[C@H]1CCCN1Cc1nncs1 ZINC000929413346 1127833004 /nfs/dbraw/zinc/83/30/04/1127833004.db2.gz XVNAHCYPTQSNBO-LSDHHAIUSA-N 0 1 287.432 3.696 20 0 CHADMN COCc1ccc([C@H]2CCCN2CCC(F)(F)F)o1 ZINC000373354199 1127835945 /nfs/dbraw/zinc/83/59/45/1127835945.db2.gz NJMVOIFFWJEVKR-LLVKDONJSA-N 0 1 277.286 3.515 20 0 CHADMN CC(C)N(Cc1ccc(-c2ncco2)cc1F)C1CC1 ZINC000411171463 1127844798 /nfs/dbraw/zinc/84/47/98/1127844798.db2.gz DXLMUAKQRGDHQK-UHFFFAOYSA-N 0 1 274.339 3.854 20 0 CHADMN COC(=O)c1sc2ccccc2c1CN(C)C1CCC1 ZINC000411296880 1127851295 /nfs/dbraw/zinc/85/12/95/1127851295.db2.gz QTLZHRAYSAZYCJ-UHFFFAOYSA-N 0 1 289.400 3.672 20 0 CHADMN CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000608145003 1127852269 /nfs/dbraw/zinc/85/22/69/1127852269.db2.gz GKFQNMUJGNRNTN-UONOGXRCSA-N 0 1 294.439 3.676 20 0 CHADMN CCCN(CC1CCCCC1)[C@@H](C)c1csnn1 ZINC000411197500 1127848579 /nfs/dbraw/zinc/84/85/79/1127848579.db2.gz YDASGZNGIATPND-LBPRGKRZSA-N 0 1 267.442 3.891 20 0 CHADMN CC[C@@H](N[C@@H](C)c1n[nH]c(C)n1)c1ccc(Cl)s1 ZINC000411510258 1127862488 /nfs/dbraw/zinc/86/24/88/1127862488.db2.gz FTUIIUCQJHNRDY-IONNQARKSA-N 0 1 284.816 3.630 20 0 CHADMN C[C@@H](NCCc1cncs1)c1nc(C(C)(C)C)cs1 ZINC000411526760 1127863479 /nfs/dbraw/zinc/86/34/79/1127863479.db2.gz DWBSUJQGBCJNMZ-SNVBAGLBSA-N 0 1 295.477 3.790 20 0 CHADMN CCc1ccc(CN2C[C@@H](C)C[C@@H]2c2cccnc2)nc1 ZINC000411523571 1127864174 /nfs/dbraw/zinc/86/41/74/1127864174.db2.gz IOBALWSBKCMGJA-KBXCAEBGSA-N 0 1 281.403 3.622 20 0 CHADMN Cc1nccc(CN[C@@H]2CC(C)(C)CCc3ccccc32)n1 ZINC000373867455 1127865020 /nfs/dbraw/zinc/86/50/20/1127865020.db2.gz PUTICAYSUOYBRK-GOSISDBHSA-N 0 1 295.430 3.978 20 0 CHADMN CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)c1ccncc1 ZINC000608493412 1127869956 /nfs/dbraw/zinc/86/99/56/1127869956.db2.gz BKZYSIVGXMGSDF-CQSZACIVSA-N 0 1 270.376 3.673 20 0 CHADMN Cc1cccc([C@H](C)[N@H+]2CCOc3ccccc3C2)c1 ZINC000608493041 1127870461 /nfs/dbraw/zinc/87/04/61/1127870461.db2.gz BIXSXLAZMAWNJL-HNNXBMFYSA-N 0 1 267.372 3.951 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000063804543 1127870710 /nfs/dbraw/zinc/87/07/10/1127870710.db2.gz VAQMZBZFQCXMBS-UHFFFAOYSA-N 0 1 291.310 3.870 20 0 CHADMN CC(C)c1cc(=O)n([C@H](C)c2ccc(Cl)cc2)[nH]1 ZINC001245917229 1131241466 /nfs/dbraw/zinc/24/14/66/1131241466.db2.gz HTZUJXJUWBHRKS-SNVBAGLBSA-N 0 1 264.756 3.975 20 0 CHADMN O=C(CN1CCC(C2CCCC2)CC1)Nc1ccccc1 ZINC000608501889 1127873619 /nfs/dbraw/zinc/87/36/19/1127873619.db2.gz CLOCCWLRXNKTCU-UHFFFAOYSA-N 0 1 286.419 3.527 20 0 CHADMN C[C@H](NCCSc1ccc(F)cc1)c1nccs1 ZINC000411877337 1127876509 /nfs/dbraw/zinc/87/65/09/1127876509.db2.gz RYYWJQOXBKMQLN-JTQLQIEISA-N 0 1 282.409 3.725 20 0 CHADMN O[C@H]1C[C@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1 ZINC000411956637 1127881342 /nfs/dbraw/zinc/88/13/42/1127881342.db2.gz WJAFUGKMWJZYOL-DLBZAZTESA-N 0 1 287.790 3.648 20 0 CHADMN CC(=O)c1ccc2c(c1)CN(CC13CCC(CC1)C3)C2 ZINC000411952674 1127881616 /nfs/dbraw/zinc/88/16/16/1127881616.db2.gz OAYJNYYMXRHLSF-UHFFFAOYSA-N 0 1 269.388 3.785 20 0 CHADMN CCC(CC)n1ccc(CN[C@@H](C)[C@](C)(OC)C2CC2)n1 ZINC000411968510 1127883516 /nfs/dbraw/zinc/88/35/16/1127883516.db2.gz JWNSJVQLCPJEME-GUYCJALGSA-N 0 1 293.455 3.537 20 0 CHADMN Cc1noc(CN(C)[C@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000411999247 1127886494 /nfs/dbraw/zinc/88/64/94/1127886494.db2.gz QKPUIMUAINRZQO-CVEARBPZSA-N 0 1 285.391 3.536 20 0 CHADMN Cc1nnc(CN(C)[C@@H]2CCCC[C@@H]2c2ccccc2)o1 ZINC000411998603 1127886694 /nfs/dbraw/zinc/88/66/94/1127886694.db2.gz NVVDWCWDPOQHSX-HZPDHXFCSA-N 0 1 285.391 3.536 20 0 CHADMN CC[C@H](F)CN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412011850 1127887846 /nfs/dbraw/zinc/88/78/46/1127887846.db2.gz LCVXIXVXTRRJAA-HOTGVXAUSA-N 0 1 277.383 3.588 20 0 CHADMN CC[C@H](F)CN(C)Cc1ccc(OC)c(Cl)c1 ZINC000412024103 1127889208 /nfs/dbraw/zinc/88/92/08/1127889208.db2.gz BHRGAEKGPOARHR-NSHDSACASA-N 0 1 259.752 3.529 20 0 CHADMN CN(Cc1cnns1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000412017677 1127890725 /nfs/dbraw/zinc/89/07/25/1127890725.db2.gz ZXBIOYHXBRIGBO-CVEARBPZSA-N 0 1 287.432 3.696 20 0 CHADMN CCN(Cc1ncc(C(C)(C)C)o1)C1CC(C)(C)C1 ZINC000412038467 1127893024 /nfs/dbraw/zinc/89/30/24/1127893024.db2.gz OVOUJVNWMJGECE-UHFFFAOYSA-N 0 1 264.413 3.983 20 0 CHADMN CCCCc1noc([C@@H](C)N2CC(C)(C)C[C@@H]2C)n1 ZINC000412048963 1127893141 /nfs/dbraw/zinc/89/31/41/1127893141.db2.gz VRIDILDVWJIIHN-NWDGAFQWSA-N 0 1 265.401 3.594 20 0 CHADMN C[C@@H](c1nc(Cc2ccccc2)no1)N1CC(C)(C)C[C@@H]1C ZINC000412039975 1127893642 /nfs/dbraw/zinc/89/36/42/1127893642.db2.gz JXXOSJAIRKFGRZ-KBPBESRZSA-N 0 1 299.418 3.842 20 0 CHADMN C[C@H]1CC(C)(C)CN1Cc1nccn1Cc1ccccc1 ZINC000412050334 1127893680 /nfs/dbraw/zinc/89/36/80/1127893680.db2.gz YBIGZSOQOWXJID-HNNXBMFYSA-N 0 1 283.419 3.552 20 0 CHADMN Cn1ccc([C@H](NC[C@H]2CC=CCC2)c2ccc(F)cc2)n1 ZINC000374519860 1127901909 /nfs/dbraw/zinc/90/19/09/1127901909.db2.gz HBQASOBIDYAMJF-KBXCAEBGSA-N 0 1 299.393 3.595 20 0 CHADMN Cc1oc([C@@H](C)[N@H+](C)Cc2ccccc2F)cc1C(=O)[O-] ZINC000516932616 1127899154 /nfs/dbraw/zinc/89/91/54/1127899154.db2.gz WMYATHBETNDAKD-SNVBAGLBSA-N 0 1 291.322 3.618 20 0 CHADMN Cc1oc([C@@H](C)[N@@H+](C)Cc2ccccc2F)cc1C(=O)[O-] ZINC000516932616 1127899160 /nfs/dbraw/zinc/89/91/60/1127899160.db2.gz WMYATHBETNDAKD-SNVBAGLBSA-N 0 1 291.322 3.618 20 0 CHADMN COc1cccc(C2=CCN(Cc3ncccc3C)CC2)c1 ZINC000374471944 1127900017 /nfs/dbraw/zinc/90/00/17/1127900017.db2.gz ODBOGYUHTFFPEB-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2cc([O-])c(F)c(F)c2)cc1C ZINC001232974470 1127906403 /nfs/dbraw/zinc/90/64/03/1127906403.db2.gz TZNPAKMFQKYHSH-UHFFFAOYSA-N 0 1 291.341 3.919 20 0 CHADMN C[C@@H](c1ccccc1)N1CC=C(C(F)(F)F)CC1 ZINC000535282028 1127911521 /nfs/dbraw/zinc/91/15/21/1127911521.db2.gz WJYYFGHNXIBRKR-NSHDSACASA-N 0 1 255.283 3.942 20 0 CHADMN CC(C)N(Cc1csc(C2CC2)n1)CC1CC1 ZINC000535385259 1127915240 /nfs/dbraw/zinc/91/52/40/1127915240.db2.gz YMRZRGOETNAPSQ-UHFFFAOYSA-N 0 1 250.411 3.641 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CCC[C@H]1C(C)(C)C ZINC000412831645 1127929700 /nfs/dbraw/zinc/92/97/00/1127929700.db2.gz WMWKYRRGPKUCSM-CHWSQXEVSA-N 0 1 291.439 3.786 20 0 CHADMN Cc1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccsc2)c1 ZINC000669828910 1127928136 /nfs/dbraw/zinc/92/81/36/1127928136.db2.gz UOXMYNJDFXDBGH-QWHCGFSZSA-N 0 1 288.416 3.734 20 0 CHADMN C[N@H+](Cc1ccccc1F)C[C@@H](O)c1cccc(Cl)c1 ZINC000174655857 1127928419 /nfs/dbraw/zinc/92/84/19/1127928419.db2.gz SFNIPQIOLQSYCK-MRXNPFEDSA-N 0 1 293.769 3.645 20 0 CHADMN CN(Cc1ccccc1F)C[C@@H](O)c1cccc(Cl)c1 ZINC000174655857 1127928422 /nfs/dbraw/zinc/92/84/22/1127928422.db2.gz SFNIPQIOLQSYCK-MRXNPFEDSA-N 0 1 293.769 3.645 20 0 CHADMN CCCN1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428788073 1127928491 /nfs/dbraw/zinc/92/84/91/1127928491.db2.gz VSEUWVPNMLHYEK-SMDDNHRTSA-N 0 1 287.325 3.877 20 0 CHADMN CC(C)OC1CC(N[C@H](c2ccccc2)c2ccccn2)C1 ZINC000375087452 1127930835 /nfs/dbraw/zinc/93/08/35/1127930835.db2.gz IQHWVPHQQMCKAD-FAFZWHIHSA-N 0 1 296.414 3.717 20 0 CHADMN COc1ccc(CN2CC[C@H](C(F)(F)F)[C@H]2C)cc1F ZINC000470944431 1127933323 /nfs/dbraw/zinc/93/33/23/1127933323.db2.gz IVAZPOJMWWSWII-KOLCDFICSA-N 0 1 291.288 3.607 20 0 CHADMN CCC(=CC(=O)Nc1cccc2c1CN(C1CC1)C2)CC ZINC000375241276 1127936712 /nfs/dbraw/zinc/93/67/12/1127936712.db2.gz KHWGSBUXCWSMOM-UHFFFAOYSA-N 0 1 284.403 3.850 20 0 CHADMN Cc1nc([C@H](C)SCc2ccc(C)c(C)c2)n[nH]1 ZINC000413003777 1127938982 /nfs/dbraw/zinc/93/89/82/1127938982.db2.gz XWIGADPVYKKGAR-NSHDSACASA-N 0 1 261.394 3.724 20 0 CHADMN c1nc2ccc(CNc3ccc4ncsc4c3)cc2[nH]1 ZINC000539771256 1127939215 /nfs/dbraw/zinc/93/92/15/1127939215.db2.gz CDBSTEYAAUGLNW-UHFFFAOYSA-N 0 1 280.356 3.785 20 0 CHADMN Cc1nc([C@@H](C)SC[C@@H](C)c2ccccc2)n[nH]1 ZINC000413008089 1127939298 /nfs/dbraw/zinc/93/92/98/1127939298.db2.gz WKSZAVXYSSNYFE-GHMZBOCLSA-N 0 1 261.394 3.711 20 0 CHADMN Cc1ccc([C@@H]2[C@H](C)CCCN2Cc2ccn(C)n2)cc1 ZINC000539822941 1127942919 /nfs/dbraw/zinc/94/29/19/1127942919.db2.gz XGGUTXQHICLIHD-QAPCUYQASA-N 0 1 283.419 3.702 20 0 CHADMN C[C@@H]1CN(Cc2cccc3c2OCCO3)[C@H]1c1ccccc1 ZINC000539820636 1127943429 /nfs/dbraw/zinc/94/34/29/1127943429.db2.gz OKVYFFVKXDHRFB-RDTXWAMCSA-N 0 1 295.382 3.651 20 0 CHADMN Cc1ccccc1[C@H](C(C)C)N(C)Cc1ccn(C)n1 ZINC000539830859 1127945038 /nfs/dbraw/zinc/94/50/38/1127945038.db2.gz ZEPSSMCBOHNXBP-KRWDZBQOSA-N 0 1 271.408 3.558 20 0 CHADMN CC[C@@H](C(=O)N(Cc1ccccc1)c1ccccc1)N(C)C ZINC000413193799 1127945532 /nfs/dbraw/zinc/94/55/32/1127945532.db2.gz AGBBRVZBMAIEHN-SFHVURJKSA-N 0 1 296.414 3.560 20 0 CHADMN Fc1cccc(F)c1CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000539837560 1127945980 /nfs/dbraw/zinc/94/59/80/1127945980.db2.gz LGURCONUIVMSQR-AWEZNQCLSA-N 0 1 295.373 3.888 20 0 CHADMN Fc1cc(F)c(F)c(CN[C@@H]2CC[C@H]2C2CCC2)c1F ZINC000669848220 1127950467 /nfs/dbraw/zinc/95/04/67/1127950467.db2.gz IDAKGUNJLSZVPL-TVQRCGJNSA-N 0 1 287.300 3.911 20 0 CHADMN COc1cc(F)c(CN2CC[C@H](C)C[C@H]2C)cc1F ZINC001233343673 1127951813 /nfs/dbraw/zinc/95/18/13/1127951813.db2.gz VZGRPOFSKRPRRW-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1ccc(Cl)o1 ZINC000539897591 1127952658 /nfs/dbraw/zinc/95/26/58/1127952658.db2.gz CXFFXWUDBRJHIG-XHDPSFHLSA-N 0 1 291.778 3.757 20 0 CHADMN Cc1ccc2nc(CN=c3[nH]c4ccccc4s3)[nH]c2c1 ZINC000467012447 1127953366 /nfs/dbraw/zinc/95/33/66/1127953366.db2.gz HYQDOROLAQEDGF-UHFFFAOYSA-N 0 1 294.383 3.515 20 0 CHADMN FC(F)(F)C1(CNCc2cn3ccccc3n2)CCCC1 ZINC000623787381 1127957441 /nfs/dbraw/zinc/95/74/41/1127957441.db2.gz KTTOXUUVSTXUKL-UHFFFAOYSA-N 0 1 297.324 3.547 20 0 CHADMN CCOc1ccc2nc(SCc3ncccc3C)[nH]c2c1 ZINC000540051380 1127959237 /nfs/dbraw/zinc/95/92/37/1127959237.db2.gz JVFQOEHRMGZDAB-UHFFFAOYSA-N 0 1 299.399 3.957 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1Cc1nc2c(cccc2F)n1CC ZINC000467203969 1127959371 /nfs/dbraw/zinc/95/93/71/1127959371.db2.gz BJLUEURRTZHPFG-QWHCGFSZSA-N 0 1 289.398 3.816 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](CO)c2cccc(F)c2)cc1 ZINC000540189743 1127967531 /nfs/dbraw/zinc/96/75/31/1127967531.db2.gz QZMPXWCIYWYXDF-DYVFJYSZSA-N 0 1 273.351 3.518 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CC[C@H](C)[C@H](OC)C1 ZINC000467284217 1127962849 /nfs/dbraw/zinc/96/28/49/1127962849.db2.gz PARCIQALEBPUNH-IUIKQTSFSA-N 0 1 283.362 3.773 20 0 CHADMN Cc1ccc2nc(SCCCc3ccncc3)[nH]c2c1 ZINC000544208659 1127963591 /nfs/dbraw/zinc/96/35/91/1127963591.db2.gz ZFQQBZDEFOQPKT-UHFFFAOYSA-N 0 1 283.400 3.991 20 0 CHADMN CC(C)c1ccc(OCCN[C@@H](C)c2cscn2)cc1 ZINC000540192477 1127968739 /nfs/dbraw/zinc/96/87/39/1127968739.db2.gz HUGNMFSHCHGGSU-ZDUSSCGKSA-N 0 1 290.432 3.996 20 0 CHADMN Cn1nccc1[C@H]1CCCCN1C/C=C/c1ccc(F)cc1 ZINC000467538646 1127973010 /nfs/dbraw/zinc/97/30/10/1127973010.db2.gz XOHXONBCLDWHQT-SHCNBLLESA-N 0 1 299.393 3.800 20 0 CHADMN CCCN(C)Cc1cc(Cl)c(OC)cc1Cl ZINC000506458611 1127978899 /nfs/dbraw/zinc/97/88/99/1127978899.db2.gz FCUQFYMMSDPTRL-UHFFFAOYSA-N 0 1 262.180 3.844 20 0 CHADMN CCC[C@H](C)CN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000540506352 1127982086 /nfs/dbraw/zinc/98/20/86/1127982086.db2.gz DTDRKUDWMPZCIH-BBRMVZONSA-N 0 1 265.372 3.635 20 0 CHADMN COc1ccc(CN2CC[C@H]2C(C)C)c(OC(F)F)c1 ZINC000540502257 1127982973 /nfs/dbraw/zinc/98/29/73/1127982973.db2.gz GRUPKPQZDBIUTO-ZDUSSCGKSA-N 0 1 285.334 3.527 20 0 CHADMN CC(C)c1nn(-c2ccccc2)cc1CN(C)C1CC1 ZINC000507132635 1127991139 /nfs/dbraw/zinc/99/11/39/1127991139.db2.gz OCGAGRPCDDLMFO-UHFFFAOYSA-N 0 1 269.392 3.590 20 0 CHADMN CC[C@@]1(C)CCN([C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000468122209 1127992520 /nfs/dbraw/zinc/99/25/20/1127992520.db2.gz WZEYZNNQTPJXMM-KDOFPFPSSA-N 0 1 299.418 3.843 20 0 CHADMN Cc1cc(-c2noc(-c3cccc(F)c3)n2)cc2nc[nH]c21 ZINC000544980857 1127993845 /nfs/dbraw/zinc/99/38/45/1127993845.db2.gz BMYYIZZWVFDADP-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN COCCCCCN1CCc2c(F)cc(F)cc2[C@H]1C ZINC000468128874 1127993892 /nfs/dbraw/zinc/99/38/92/1127993892.db2.gz IWHXDHZMXVOMDH-GFCCVEGCSA-N 0 1 283.362 3.701 20 0 CHADMN CC[C@]1(C)CC[N@@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC000468138252 1127995259 /nfs/dbraw/zinc/99/52/59/1127995259.db2.gz LRKYDUWOHSTURM-OAHLLOKOSA-N 0 1 262.328 3.589 20 0 CHADMN CC[C@]1(C)CCN(Cc2nc3ccc(F)cc3o2)C1 ZINC000468138252 1127995261 /nfs/dbraw/zinc/99/52/61/1127995261.db2.gz LRKYDUWOHSTURM-OAHLLOKOSA-N 0 1 262.328 3.589 20 0 CHADMN CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ccccc2)n[nH]1 ZINC000545286197 1128009670 /nfs/dbraw/zinc/00/96/70/1128009670.db2.gz ZNNIFWNIAFNVHZ-QGZVFWFLSA-N 0 1 297.402 3.901 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1Cc1cnn(C(C)(C)C)c1 ZINC000468684566 1128015622 /nfs/dbraw/zinc/01/56/22/1128015622.db2.gz LHECSCDLTWFSLM-GOSISDBHSA-N 0 1 297.446 3.975 20 0 CHADMN C[C@H]1CN(Cc2ncc(C(C)(C)C)o2)CC(C)(C)C1 ZINC000541323620 1128017670 /nfs/dbraw/zinc/01/76/70/1128017670.db2.gz FCGOADJQHUUQHN-GFCCVEGCSA-N 0 1 264.413 3.840 20 0 CHADMN C[N@H+](CCc1cccs1)Cc1cccc([O-])c1Cl ZINC000508775173 1128022396 /nfs/dbraw/zinc/02/23/96/1128022396.db2.gz UFTKLYUCTQURAZ-UHFFFAOYSA-N 0 1 281.808 3.782 20 0 CHADMN C[N@@H+](CCc1cccs1)Cc1cccc([O-])c1Cl ZINC000508775173 1128022401 /nfs/dbraw/zinc/02/24/01/1128022401.db2.gz UFTKLYUCTQURAZ-UHFFFAOYSA-N 0 1 281.808 3.782 20 0 CHADMN CN(CCc1cccs1)Cc1cccc(O)c1Cl ZINC000508775173 1128022406 /nfs/dbraw/zinc/02/24/06/1128022406.db2.gz UFTKLYUCTQURAZ-UHFFFAOYSA-N 0 1 281.808 3.782 20 0 CHADMN Cc1ccccc1-c1cnc(CNC2(C3CC3)CC2)o1 ZINC000541595865 1128030185 /nfs/dbraw/zinc/03/01/85/1128030185.db2.gz UGEAXHWDRWZOCF-UHFFFAOYSA-N 0 1 268.360 3.682 20 0 CHADMN C[C@H](CCC(C)(C)C)C(=O)N1CCN(C2CCCC2)CC1 ZINC000541680687 1128033754 /nfs/dbraw/zinc/03/37/54/1128033754.db2.gz GWSDVOXVOFWAIK-OAHLLOKOSA-N 0 1 294.483 3.536 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(CC)CC(=O)c1cccn1C ZINC000469121493 1128036079 /nfs/dbraw/zinc/03/60/79/1128036079.db2.gz WPCMDPFRYHJHMO-KRWDZBQOSA-N 0 1 298.430 3.551 20 0 CHADMN C[C@@H]1CN(CCc2ccccc2F)C[C@@H](c2ccccc2)O1 ZINC000469184830 1128037230 /nfs/dbraw/zinc/03/72/30/1128037230.db2.gz XQDDRUHIMPDHGF-BEFAXECRSA-N 0 1 299.389 3.830 20 0 CHADMN C[C@H](CNCc1ccsc1Cl)C(F)(F)F ZINC000308972087 1128040231 /nfs/dbraw/zinc/04/02/31/1128040231.db2.gz FNYIFFHQERFYGT-ZCFIWIBFSA-N 0 1 257.708 3.690 20 0 CHADMN CSc1ccccc1CN[C@H](CO)c1ccccc1C ZINC000541982167 1128046900 /nfs/dbraw/zinc/04/69/00/1128046900.db2.gz GDQTZHDFDLEUIN-MRXNPFEDSA-N 0 1 287.428 3.540 20 0 CHADMN C[N@@H+](CCCCC(=O)[O-])Cc1ccc(C(C)(C)C)cc1 ZINC000542196268 1128055099 /nfs/dbraw/zinc/05/50/99/1128055099.db2.gz FJZWTVLFRPETDN-UHFFFAOYSA-N 0 1 277.408 3.671 20 0 CHADMN CN(Cc1csc(N(C)C2CC2)n1)C1CCCCCC1 ZINC000469743699 1128052041 /nfs/dbraw/zinc/05/20/41/1128052041.db2.gz VNNAEXJNNCJLDO-UHFFFAOYSA-N 0 1 293.480 3.896 20 0 CHADMN Fc1ccccc1CCN1CC=C(C(F)(F)F)CC1 ZINC000469962643 1128059595 /nfs/dbraw/zinc/05/95/95/1128059595.db2.gz MEEAKIBNGFKXGZ-UHFFFAOYSA-N 0 1 273.273 3.563 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cc3cn4ccsc4n3)C2)cc1 ZINC000542318841 1128062503 /nfs/dbraw/zinc/06/25/03/1128062503.db2.gz HIGMYHMTAIQHLA-OAHLLOKOSA-N 0 1 297.427 3.694 20 0 CHADMN CC[C@@H](N[C@H](C)C(=O)NC(C)(C)CC)c1ccccc1F ZINC000653792618 1128064663 /nfs/dbraw/zinc/06/46/63/1128064663.db2.gz OOEBNPCQIJOKJT-IUODEOHRSA-N 0 1 294.414 3.560 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H]2CCC3(CCCC3)O2)cs1 ZINC000669933156 1128067874 /nfs/dbraw/zinc/06/78/74/1128067874.db2.gz JVCFYPVNPXGQTQ-AAEUAGOBSA-N 0 1 280.437 3.594 20 0 CHADMN CO[C@H](CN1CC[C@H](C)[C@@H](F)C1)c1ccc(Cl)cc1 ZINC000669932899 1128068044 /nfs/dbraw/zinc/06/80/44/1128068044.db2.gz VNZUIJLFLNTDKH-TUKIKUTGSA-N 0 1 285.790 3.707 20 0 CHADMN Cc1nc([C@H](C)NC[C@H]2CCC3(CCCC3)O2)cs1 ZINC000669933158 1128068198 /nfs/dbraw/zinc/06/81/98/1128068198.db2.gz JVCFYPVNPXGQTQ-WCQYABFASA-N 0 1 280.437 3.594 20 0 CHADMN CCCC(CCC)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000470311984 1128068716 /nfs/dbraw/zinc/06/87/16/1128068716.db2.gz BJHHBIZTTFJYGM-UHFFFAOYSA-N 0 1 293.455 3.882 20 0 CHADMN Fc1ccc2c(c1)CCN(CCc1ccccc1F)C2 ZINC000470321653 1128068832 /nfs/dbraw/zinc/06/88/32/1128068832.db2.gz BSUFDJMYZMDIMU-UHFFFAOYSA-N 0 1 273.326 3.566 20 0 CHADMN Cc1ccoc1CNCc1c[nH]nc1-c1ccc(C)cc1 ZINC000491411698 1128069407 /nfs/dbraw/zinc/06/94/07/1128069407.db2.gz AAAFIBDVANIIJC-UHFFFAOYSA-N 0 1 281.359 3.576 20 0 CHADMN CC[C@H](CC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1)C(C)C ZINC000470331178 1128069479 /nfs/dbraw/zinc/06/94/79/1128069479.db2.gz VOFZXTAYIHRXTF-CYBMUJFWSA-N 0 1 293.455 3.738 20 0 CHADMN CCC(CC)[C@H](C)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000470339791 1128069704 /nfs/dbraw/zinc/06/97/04/1128069704.db2.gz DBTLMZAJJHPPDK-LBPRGKRZSA-N 0 1 293.455 3.738 20 0 CHADMN CC(C)CN(CC(C)C)C(=O)CN[C@@H](C)c1ccsc1 ZINC000669938390 1128076479 /nfs/dbraw/zinc/07/64/79/1128076479.db2.gz MUEBOHJKBFMLNX-AWEZNQCLSA-N 0 1 296.480 3.539 20 0 CHADMN Cc1cc(C)cc(NC(=O)CN[C@H](C)c2ccsc2)c1 ZINC000669938380 1128076819 /nfs/dbraw/zinc/07/68/19/1128076819.db2.gz MOVZYONMOWBFCY-CYBMUJFWSA-N 0 1 288.416 3.654 20 0 CHADMN CCc1ccc(CC)c(NC(=O)CN2[C@H](C)CC[C@H]2C)c1 ZINC000470547038 1128073383 /nfs/dbraw/zinc/07/33/83/1128073383.db2.gz BPJLGLAAKHOZRW-ZIAGYGMSSA-N 0 1 288.435 3.623 20 0 CHADMN Cc1nc2ccccc2nc1CN[C@H](C)c1ccsc1 ZINC000669937652 1128075382 /nfs/dbraw/zinc/07/53/82/1128075382.db2.gz NVUDLWSLBWFNPG-LLVKDONJSA-N 0 1 283.400 3.851 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccsc1)C(=O)N(C)C1CCCCC1 ZINC000669938831 1128075589 /nfs/dbraw/zinc/07/55/89/1128075589.db2.gz ATVDSCXILNAXFB-QWHCGFSZSA-N 0 1 294.464 3.578 20 0 CHADMN C[C@H](Cc1cnc[nH]1)C(=O)Nc1ccccc1C(C)(C)C ZINC000913741386 1128078301 /nfs/dbraw/zinc/07/83/01/1128078301.db2.gz LUCMNRRAJZBGLN-GFCCVEGCSA-N 0 1 285.391 3.525 20 0 CHADMN C[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccccc1C(C)(C)C ZINC000913741387 1128078501 /nfs/dbraw/zinc/07/85/01/1128078501.db2.gz LUCMNRRAJZBGLN-LBPRGKRZSA-N 0 1 285.391 3.525 20 0 CHADMN C[C@H]1CN(Cc2cc3ccccc3s2)C[C@H](C2CC2)O1 ZINC000470926309 1128081439 /nfs/dbraw/zinc/08/14/39/1128081439.db2.gz PLCDORUHNCOIQM-BLLLJJGKSA-N 0 1 287.428 3.901 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCc1cccc(F)c1F ZINC000470943587 1128082004 /nfs/dbraw/zinc/08/20/04/1128082004.db2.gz DGPHZKRGRMVEOZ-KOLCDFICSA-N 0 1 293.279 3.780 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(F)cc1 ZINC000470941458 1128082389 /nfs/dbraw/zinc/08/23/89/1128082389.db2.gz WDXLVBFBXQEYQC-BXKDBHETSA-N 0 1 261.262 3.598 20 0 CHADMN CCc1noc([C@@H](C)N2CC[C@@H](c3ccc(C)cc3C)C2)n1 ZINC000470999822 1128085211 /nfs/dbraw/zinc/08/52/11/1128085211.db2.gz CIZQXAXUGWYUID-HUUCEWRRSA-N 0 1 299.418 3.799 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@@H](c3ccc(C)cc3C)C2)n1 ZINC000470999823 1128085594 /nfs/dbraw/zinc/08/55/94/1128085594.db2.gz CIZQXAXUGWYUID-LSDHHAIUSA-N 0 1 299.418 3.799 20 0 CHADMN FC(F)(F)C1CCN(C/C=C/c2ccccc2)CC1 ZINC000174190216 1128098677 /nfs/dbraw/zinc/09/86/77/1128098677.db2.gz XISOOGJHVMLQDY-QPJJXVBHSA-N 0 1 269.310 3.974 20 0 CHADMN C[C@@H](NCc1ccc(F)cc1)c1ccnn1CC1CCC1 ZINC000924524133 1128101272 /nfs/dbraw/zinc/10/12/72/1128101272.db2.gz FASFLPRJPAEPHR-CYBMUJFWSA-N 0 1 287.382 3.673 20 0 CHADMN CSCCN[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000924550510 1128104418 /nfs/dbraw/zinc/10/44/18/1128104418.db2.gz GFHGTLNQOSXLMB-HNNXBMFYSA-N 0 1 292.835 3.777 20 0 CHADMN COc1ccnc([C@@H](C)N[C@@H](C)c2cccs2)c1 ZINC000924549081 1128104686 /nfs/dbraw/zinc/10/46/86/1128104686.db2.gz QASSVSSGDFPNFX-MNOVXSKESA-N 0 1 262.378 3.564 20 0 CHADMN CC[C@H](NCc1ccccc1C)c1cccc(OC)n1 ZINC000924562333 1128104737 /nfs/dbraw/zinc/10/47/37/1128104737.db2.gz YHAMDXUYDSJQFC-HNNXBMFYSA-N 0 1 270.376 3.640 20 0 CHADMN CC[C@H](N[C@H]1CCOc2ccccc21)c1cccc(OC)n1 ZINC000924562379 1128105557 /nfs/dbraw/zinc/10/55/57/1128105557.db2.gz CRBZFAQYTCRCRG-GJZGRUSLSA-N 0 1 298.386 3.655 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H](c2cccs2)C2CC2)c1 ZINC000924593708 1128106594 /nfs/dbraw/zinc/10/65/94/1128106594.db2.gz XYKBGHGXNXQXDD-MEDUHNTESA-N 0 1 288.416 3.954 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc(O)cc(F)c2)cc1F ZINC000924605099 1128106992 /nfs/dbraw/zinc/10/69/92/1128106992.db2.gz AOPAJHBTEGCUAH-JTQLQIEISA-N 0 1 293.313 3.530 20 0 CHADMN CC[C@H](CC(=O)NCc1nc2ccc(C)cc2[nH]1)C(C)C ZINC000174895461 1128108893 /nfs/dbraw/zinc/10/88/93/1128108893.db2.gz UJCJPTOCYAUONM-CYBMUJFWSA-N 0 1 287.407 3.560 20 0 CHADMN Cc1ccc2nc(CNC(=O)C[C@@H](C)CC(C)C)[nH]c2c1 ZINC000174895057 1128109141 /nfs/dbraw/zinc/10/91/41/1128109141.db2.gz RDYYOSXDVWBRIA-ZDUSSCGKSA-N 0 1 287.407 3.560 20 0 CHADMN COCc1cccc(CN[C@H](C)c2cc(O)cc(F)c2)c1 ZINC000924685040 1128109638 /nfs/dbraw/zinc/10/96/38/1128109638.db2.gz NQOCODROKZWCOO-GFCCVEGCSA-N 0 1 289.350 3.529 20 0 CHADMN C[C@H](NCc1ccc(Cl)nc1)c1cnn(C2CCC2)c1 ZINC000924713456 1128110588 /nfs/dbraw/zinc/11/05/88/1128110588.db2.gz QCVFRLXDYDJPTF-NSHDSACASA-N 0 1 290.798 3.507 20 0 CHADMN Cc1nc2c(s1)CN(Cc1cccc(C)c1C)CC2 ZINC001205089759 1128110589 /nfs/dbraw/zinc/11/05/89/1128110589.db2.gz YVCCPERQYZEPOD-UHFFFAOYSA-N 0 1 272.417 3.627 20 0 CHADMN C[C@@H](NCC(C)(C)c1ccc(Cl)cc1)c1ncco1 ZINC000924730253 1128111297 /nfs/dbraw/zinc/11/12/97/1128111297.db2.gz MTXCYROLELGFBH-LLVKDONJSA-N 0 1 278.783 3.956 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H](C)c2ccc(C)s2)c1 ZINC000924768333 1128112618 /nfs/dbraw/zinc/11/26/18/1128112618.db2.gz XZDMUUZVUSDDHR-RYUDHWBXSA-N 0 1 276.405 3.872 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccns1 ZINC000924844979 1128114301 /nfs/dbraw/zinc/11/43/01/1128114301.db2.gz CQUVCAUBEPEYLV-BJJXKVORSA-N 0 1 288.416 3.714 20 0 CHADMN CSC1CC(NCc2csc(-c3ccccc3)n2)C1 ZINC000924828825 1128114835 /nfs/dbraw/zinc/11/48/35/1128114835.db2.gz RFDQVLJJNKKQTN-UHFFFAOYSA-N 0 1 290.457 3.794 20 0 CHADMN CCC[C@H](NC[C@H](O)CC(C)C)c1ncccc1Cl ZINC000924871447 1128115489 /nfs/dbraw/zinc/11/54/89/1128115489.db2.gz NFRSLTJYZGEVDZ-OCCSQVGLSA-N 0 1 284.831 3.573 20 0 CHADMN CCOc1ccccc1[C@H](CC)N[C@H](C)c1ccnnc1 ZINC000924897296 1128116164 /nfs/dbraw/zinc/11/61/64/1128116164.db2.gz OVBSBGHPRFZLSI-CJNGLKHVSA-N 0 1 285.391 3.677 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C=CC(C)(C)C)c2C)o1 ZINC000492987227 1128119074 /nfs/dbraw/zinc/11/90/74/1128119074.db2.gz CNAPBAHTKCFDTM-CMDGGOBGSA-N 0 1 287.363 3.827 20 0 CHADMN C[C@H](N[C@H]1C[C@@H]1C)c1ncc(C(F)(F)F)cc1Cl ZINC000924952985 1128117577 /nfs/dbraw/zinc/11/75/77/1128117577.db2.gz YPNNEDBKKLYUNI-BYULHYEWSA-N 0 1 278.705 3.813 20 0 CHADMN C[C@@H](N[C@@H]1CCc2c1cccc2O)c1ccnn1C1CCC1 ZINC000924966766 1128118197 /nfs/dbraw/zinc/11/81/97/1128118197.db2.gz GNQXGBFRLOMHKX-MLGOLLRUSA-N 0 1 297.402 3.652 20 0 CHADMN C[C@@H](NC/C=C/c1ccccc1)c1cn2c(n1)CCCC2 ZINC000925050883 1128119995 /nfs/dbraw/zinc/11/99/95/1128119995.db2.gz JNKWHFPZTFNNJF-JOZWUWCOSA-N 0 1 281.403 3.583 20 0 CHADMN CCC[C@@H](NCc1cc(CC)[nH]n1)c1ncccc1Cl ZINC000925061349 1128120001 /nfs/dbraw/zinc/12/00/01/1128120001.db2.gz IUJOTHOWAGGQIA-CQSZACIVSA-N 0 1 292.814 3.652 20 0 CHADMN CC[C@H](N[C@H](C)c1ccnn1C1CCC1)c1ccncc1 ZINC000925131174 1128122771 /nfs/dbraw/zinc/12/27/71/1128122771.db2.gz RPVHQUJVCVGFEB-CJNGLKHVSA-N 0 1 284.407 3.805 20 0 CHADMN Cc1ccc([C@H](NC[C@]2(C)CCCO2)c2ccccn2)cc1 ZINC000925249027 1128126871 /nfs/dbraw/zinc/12/68/71/1128126871.db2.gz JVOIHOIGPBLUJY-OALUTQOASA-N 0 1 296.414 3.638 20 0 CHADMN Cc1cccc([C@H](NC[C@]2(C)CCCO2)c2ccccn2)c1 ZINC000925250168 1128126907 /nfs/dbraw/zinc/12/69/07/1128126907.db2.gz SHOMSYKYRYRXNN-OALUTQOASA-N 0 1 296.414 3.638 20 0 CHADMN C[C@H](N[C@H]1CCC(C)(C)c2ccccc21)c1cn(C)cn1 ZINC000925352942 1128128090 /nfs/dbraw/zinc/12/80/90/1128128090.db2.gz RYDZBYLXZQVFRV-BBRMVZONSA-N 0 1 283.419 3.883 20 0 CHADMN CC[C@H](O)CCCN[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000925459782 1128129869 /nfs/dbraw/zinc/12/98/69/1128129869.db2.gz OQAWNZMLBGFOGU-HKUYNNGSSA-N 0 1 298.430 3.620 20 0 CHADMN Cc1n[nH]cc1CN[C@@H](C)c1csc(C(F)(F)F)c1 ZINC000925463054 1128129958 /nfs/dbraw/zinc/12/99/58/1128129958.db2.gz PGIJQUJOQGHJRG-ZETCQYMHSA-N 0 1 289.326 3.649 20 0 CHADMN C[C@@H](N[C@H](C)c1csc(C(F)(F)F)c1)c1cn[nH]c1 ZINC000925635285 1128134725 /nfs/dbraw/zinc/13/47/25/1128134725.db2.gz PRBMHJRXACAZGV-HTQZYQBOSA-N 0 1 289.326 3.902 20 0 CHADMN CCN(c1ccc(N[C@H]2C[C@H](C)n3ncnc32)cc1)C(C)C ZINC000925734396 1128138779 /nfs/dbraw/zinc/13/87/79/1128138779.db2.gz OSLMGUBUGQJQPM-BBRMVZONSA-N 0 1 299.422 3.631 20 0 CHADMN CCc1cc(=O)n(-c2ccc(C(F)(F)F)cc2Cl)[nH]1 ZINC001245917828 1131241998 /nfs/dbraw/zinc/24/19/98/1131241998.db2.gz ODOBQYZYJBBXGK-UHFFFAOYSA-N 0 1 290.672 3.813 20 0 CHADMN Cc1cccc(C2(N[C@H](C)c3cnccn3)CCCC2)c1 ZINC000777570650 1128137507 /nfs/dbraw/zinc/13/75/07/1128137507.db2.gz PCDNLBVFAJOKFU-OAHLLOKOSA-N 0 1 281.403 3.905 20 0 CHADMN Cc1ccc([C@@H](NCc2cc(N)cc[nH+]2)C2CCCC2)cc1 ZINC000925766121 1128140830 /nfs/dbraw/zinc/14/08/30/1128140830.db2.gz HRXYKDGDUNCUGY-IBGZPJMESA-N 0 1 295.430 3.993 20 0 CHADMN Fc1cccc2c1CCN(CCCCC(F)(F)F)C2 ZINC000152874342 1128155387 /nfs/dbraw/zinc/15/53/87/1128155387.db2.gz VLQKUTLFQWTHCU-UHFFFAOYSA-N 0 1 275.289 3.916 20 0 CHADMN CCCc1csc(CNC/C=C/c2ccccc2)n1 ZINC000494056882 1128155515 /nfs/dbraw/zinc/15/55/15/1128155515.db2.gz BHNIPOPJWOXILU-UXBLZVDNSA-N 0 1 272.417 3.899 20 0 CHADMN COc1ccnc([C@H](C)N[C@H]2CCCc3sccc32)c1 ZINC000926189503 1128158675 /nfs/dbraw/zinc/15/86/75/1128158675.db2.gz LQRVMPJSYSMCPH-FZMZJTMJSA-N 0 1 288.416 3.880 20 0 CHADMN CC1(C)C[C@H](CNc2ccc3c(c2)nc2cc[nH]cc3-2)O1 ZINC001168461385 1128161181 /nfs/dbraw/zinc/16/11/81/1128161181.db2.gz VDEXVSQIESPZSS-GFCCVEGCSA-N 0 1 281.359 3.696 20 0 CHADMN CC(C)CC1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000761602865 1128164291 /nfs/dbraw/zinc/16/42/91/1128164291.db2.gz NCQJAWAKYCXADO-UHFFFAOYSA-N 0 1 295.810 3.944 20 0 CHADMN CCC[C@@H](NC1CC(F)(F)C1)c1ncccc1Cl ZINC000926283911 1128165265 /nfs/dbraw/zinc/16/52/65/1128165265.db2.gz CABLVIDAOLCTEA-LLVKDONJSA-N 0 1 274.742 3.964 20 0 CHADMN Cc1cscc1CN[C@@H](C)c1cc(O)cc(F)c1 ZINC000926303871 1128165545 /nfs/dbraw/zinc/16/55/45/1128165545.db2.gz PSMJIQUFHORYTK-JTQLQIEISA-N 0 1 265.353 3.752 20 0 CHADMN C/C(=C/c1ccccc1)C[N@@H+](C)CCc1c(C)noc1C ZINC000494269433 1128168889 /nfs/dbraw/zinc/16/88/89/1128168889.db2.gz YDGIFUQMESRFRP-OWBHPGMISA-N 0 1 284.403 3.869 20 0 CHADMN C/C(=C/c1ccccc1)C[N@H+](C)Cc1cnc2ccccn12 ZINC000494292068 1128169160 /nfs/dbraw/zinc/16/91/60/1128169160.db2.gz BZFRDVVILMKMLF-VBKFSLOCSA-N 0 1 291.398 3.870 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1cnc2ccccn12 ZINC000494292068 1128169161 /nfs/dbraw/zinc/16/91/61/1128169161.db2.gz BZFRDVVILMKMLF-VBKFSLOCSA-N 0 1 291.398 3.870 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccc(Cl)cc1)c1ccns1 ZINC000926429434 1128171953 /nfs/dbraw/zinc/17/19/53/1128171953.db2.gz ZRFBQNZNVNRZSL-GXFFZTMASA-N 0 1 296.823 3.571 20 0 CHADMN COc1cc([C@H](C)N[C@H]2CCCc3ccc(C)cc32)on1 ZINC000926436217 1128172920 /nfs/dbraw/zinc/17/29/20/1128172920.db2.gz QGECOKYCXYEBOD-WFASDCNBSA-N 0 1 286.375 3.720 20 0 CHADMN C[C@H](NC[C@H]1CCCCC(F)(F)C1)c1ncco1 ZINC000926469475 1128173569 /nfs/dbraw/zinc/17/35/69/1128173569.db2.gz MJVVMXDRIPVHLL-QWRGUYRKSA-N 0 1 258.312 3.541 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc(C2CC2)c1)c1ccnnc1 ZINC000926493628 1128175692 /nfs/dbraw/zinc/17/56/92/1128175692.db2.gz WWRGVIKGLULRHK-CHWSQXEVSA-N 0 1 267.376 3.766 20 0 CHADMN COc1ccc(-c2n[nH]c(SCCC(C)C)n2)cc1 ZINC000494518654 1128176379 /nfs/dbraw/zinc/17/63/79/1128176379.db2.gz GPDLNBSLDHZEEB-UHFFFAOYSA-N 0 1 277.393 3.619 20 0 CHADMN CCCCCCNC(=O)CN[C@@H](C)c1cc(C)sc1C ZINC000754124175 1128198241 /nfs/dbraw/zinc/19/82/41/1128198241.db2.gz BMDYWKREWVJLJF-ZDUSSCGKSA-N 0 1 296.480 3.712 20 0 CHADMN CCc1ccc([C@H](N[C@H]2CO[C@H](C)C2)c2cccnc2)cc1 ZINC000926639056 1128185333 /nfs/dbraw/zinc/18/53/33/1128185333.db2.gz NOZQRDHZKGLEOR-ZMYBRWDISA-N 0 1 296.414 3.500 20 0 CHADMN Cc1cccc([C@H](N[C@@H]2C=CCC2)c2ccccn2)c1 ZINC000926689852 1128187872 /nfs/dbraw/zinc/18/78/72/1128187872.db2.gz MAXPBYQLCCJJBK-AEFFLSMTSA-N 0 1 264.372 3.788 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000926698985 1128188464 /nfs/dbraw/zinc/18/84/64/1128188464.db2.gz JVRZLGSUHQVESJ-FVQBIDKESA-N 0 1 298.386 3.560 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1ccnn1C1CCC1 ZINC000926708227 1128189205 /nfs/dbraw/zinc/18/92/05/1128189205.db2.gz ARRQJXJQJIDMDR-SJKOYZFVSA-N 0 1 297.402 3.652 20 0 CHADMN C[C@H](N[C@H]1CCc2ccc(O)cc21)c1cnn(C2CCC2)c1 ZINC000926708425 1128189269 /nfs/dbraw/zinc/18/92/69/1128189269.db2.gz GUQSZRQCVZFCSF-SGTLLEGYSA-N 0 1 297.402 3.652 20 0 CHADMN COc1cc([C@H](C)N[C@@H]2CCCc3c(C)cccc32)on1 ZINC000926729519 1128190566 /nfs/dbraw/zinc/19/05/66/1128190566.db2.gz NRJGMEKUPJGIRL-SWLSCSKDSA-N 0 1 286.375 3.720 20 0 CHADMN CCn1nccc1CN[C@@H](C)c1coc2ccccc12 ZINC000926737262 1128191303 /nfs/dbraw/zinc/19/13/03/1128191303.db2.gz DTWUXSAJVWEUCD-LBPRGKRZSA-N 0 1 269.348 3.500 20 0 CHADMN COc1ccccc1[C@H](NCC1CC(C)C1)c1ccccn1 ZINC000926736160 1128191311 /nfs/dbraw/zinc/19/13/11/1128191311.db2.gz DDQPGQVAZYWMRQ-ZOJXTTQQSA-N 0 1 296.414 3.815 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cnn(C(C)C)c1 ZINC000226239441 1128192252 /nfs/dbraw/zinc/19/22/52/1128192252.db2.gz YIGJHUDXUMIAQF-AWEZNQCLSA-N 0 1 287.407 3.632 20 0 CHADMN C[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1cc(-c2ccccc2)no1 ZINC000926767325 1128192968 /nfs/dbraw/zinc/19/29/68/1128192968.db2.gz JPXGWXIPVGEAQL-WBHUJUFNSA-N 0 1 298.386 3.560 20 0 CHADMN CCC[C@H](N[C@@H]1C[C@H](C)O[C@H]1C)c1ncccc1Cl ZINC000926782542 1128194116 /nfs/dbraw/zinc/19/41/16/1128194116.db2.gz DNZPIANEBKPVMO-AUZPSNTRSA-N 0 1 282.815 3.732 20 0 CHADMN COc1ccnc([C@@H](C)NCc2csc(C)c2C)c1 ZINC000926780918 1128194324 /nfs/dbraw/zinc/19/43/24/1128194324.db2.gz CBLVMQKTBPEBAU-LLVKDONJSA-N 0 1 276.405 3.619 20 0 CHADMN C[C@@H](N[C@@H]1CCCn2nccc21)c1coc2ccccc12 ZINC000926815152 1128196408 /nfs/dbraw/zinc/19/64/08/1128196408.db2.gz BCVBBMNRAVMMCD-IUODEOHRSA-N 0 1 281.359 3.815 20 0 CHADMN CCCC(CCC)[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC001257341066 1128253197 /nfs/dbraw/zinc/25/31/97/1128253197.db2.gz RHFYYUIRILUPCK-LBPRGKRZSA-N 0 1 257.418 3.617 20 0 CHADMN CCc1cc(CN(C)CCc2cccc(Cl)c2)on1 ZINC001203225249 1128253297 /nfs/dbraw/zinc/25/32/97/1128253297.db2.gz LZGZVFGJBJZNIT-UHFFFAOYSA-N 0 1 278.783 3.565 20 0 CHADMN CC(C)C1(CN2CCc3c(ncn3-c3ccccc3)C2)CC1 ZINC000929066037 1128256120 /nfs/dbraw/zinc/25/61/20/1128256120.db2.gz ZNUAJPUTOIFENN-UHFFFAOYSA-N 0 1 295.430 3.667 20 0 CHADMN CCc1ncc(CN2CCC[C@H]2c2ccc(C)cc2)o1 ZINC000929088522 1128257397 /nfs/dbraw/zinc/25/73/97/1128257397.db2.gz MSXOKWONPMEDSJ-INIZCTEOSA-N 0 1 270.376 3.883 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1nc(COC(C)C)no1 ZINC000929855907 1128263475 /nfs/dbraw/zinc/26/34/75/1128263475.db2.gz UCWUHKBOKUJJAW-AWEZNQCLSA-N 0 1 295.427 3.539 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1C[C@H](C)C[C@H](C)C1 ZINC000252265530 1128199938 /nfs/dbraw/zinc/19/99/38/1128199938.db2.gz NOIUSTISXIXGAA-GRYCIOLGSA-N 0 1 291.420 3.837 20 0 CHADMN Cc1cccc2c1[C@H](NCc1nc3c(s1)CCC3)CC2 ZINC000926882178 1128199924 /nfs/dbraw/zinc/19/99/24/1128199924.db2.gz MWJUESXUBYNKFQ-CQSZACIVSA-N 0 1 284.428 3.717 20 0 CHADMN C[C@H](N[C@@H](c1ccccn1)C1CC1)c1cnn(C2CCC2)c1 ZINC000926895078 1128200489 /nfs/dbraw/zinc/20/04/89/1128200489.db2.gz CULGXOOUTCHVTP-SCLBCKFNSA-N 0 1 296.418 3.805 20 0 CHADMN C[C@H](N[C@@H](c1ccccn1)C1CC1)c1ccnn1C1CCC1 ZINC000926895100 1128200716 /nfs/dbraw/zinc/20/07/16/1128200716.db2.gz DBVVUBLWENSHJS-SCLBCKFNSA-N 0 1 296.418 3.805 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)N[C@H](C)c1cncnc1C ZINC000926900434 1128201405 /nfs/dbraw/zinc/20/14/05/1128201405.db2.gz ZIHSARLTZODUJM-CHWSQXEVSA-N 0 1 273.355 3.644 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccc2c(c1)C[C@@H](C)O2 ZINC000926917479 1128202389 /nfs/dbraw/zinc/20/23/89/1128202389.db2.gz BFGLTVMSPJCHOI-KGLIPLIRSA-N 0 1 296.414 3.818 20 0 CHADMN CCC(CC)N(CC)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000494833163 1128204181 /nfs/dbraw/zinc/20/41/81/1128204181.db2.gz DDXMRQLNJLUCHA-UHFFFAOYSA-N 0 1 285.391 3.727 20 0 CHADMN Cc1cc([C@@H]2CCCN2[C@H](C)Cc2cccc(F)c2)no1 ZINC001168473037 1128207612 /nfs/dbraw/zinc/20/76/12/1128207612.db2.gz BXDHTBHAQJLDCO-PXAZEXFGSA-N 0 1 288.366 3.890 20 0 CHADMN Cc1cc([C@@H]2CCCN2[C@@H](C)Cc2cccc(F)c2)no1 ZINC001168473040 1128207781 /nfs/dbraw/zinc/20/77/81/1128207781.db2.gz BXDHTBHAQJLDCO-SJCJKPOMSA-N 0 1 288.366 3.890 20 0 CHADMN Cc1csc([C@@H](C)NC[C@H]2CCCC3(CCC3)O2)n1 ZINC000927012382 1128207918 /nfs/dbraw/zinc/20/79/18/1128207918.db2.gz TXQPQVLCJXWCSM-CHWSQXEVSA-N 0 1 280.437 3.594 20 0 CHADMN C[C@H](N[C@H]1CCCc2cccnc21)c1ccc2c(c1)COC2 ZINC000927060852 1128212314 /nfs/dbraw/zinc/21/23/14/1128212314.db2.gz CZRKLBIUEMVPRS-UGSOOPFHSA-N 0 1 294.398 3.840 20 0 CHADMN CCOc1c(Cl)cccc1CN1CCC[C@H](COC)C1 ZINC000494927663 1128214388 /nfs/dbraw/zinc/21/43/88/1128214388.db2.gz CIJNQLQLVKDJLT-ZDUSSCGKSA-N 0 1 297.826 3.597 20 0 CHADMN Cc1cc([C@H](C)N[C@H](c2cnn(C)c2)C(C)C)c(C)o1 ZINC000927066236 1128214483 /nfs/dbraw/zinc/21/44/83/1128214483.db2.gz AKACGPXMNDOYHJ-LRDDRELGSA-N 0 1 275.396 3.678 20 0 CHADMN C[C@@H](NCc1cccc2c1OCC2)c1ccccc1N(C)C ZINC000927089532 1128216229 /nfs/dbraw/zinc/21/62/29/1128216229.db2.gz CRZQERDFYNLHJZ-CQSZACIVSA-N 0 1 296.414 3.538 20 0 CHADMN CN(C)c1ccc(CN2CCC[C@@H]2c2cccc(F)c2)cn1 ZINC000153513551 1128217404 /nfs/dbraw/zinc/21/74/04/1128217404.db2.gz ATGBMNTZTHDCSO-QGZVFWFLSA-N 0 1 299.393 3.624 20 0 CHADMN Cc1cc2c(c(C)c1)[C@H](NCc1cc(C3CC3)n(C)n1)CC2 ZINC000927109359 1128218121 /nfs/dbraw/zinc/21/81/21/1128218121.db2.gz XDIZEKTXSLXSRN-QGZVFWFLSA-N 0 1 295.430 3.691 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cc(C3CC3)n(C)n1)[C@H](C)C2 ZINC000927109823 1128218320 /nfs/dbraw/zinc/21/83/20/1128218320.db2.gz YTPIPGAKVBZEBH-BFUOFWGJSA-N 0 1 295.430 3.629 20 0 CHADMN C(=C\c1ccncc1)\CN1CCCC[C@H]1c1ccco1 ZINC000494964050 1128218337 /nfs/dbraw/zinc/21/83/37/1128218337.db2.gz LWSLPUURPPLZTJ-IMMZDGJCSA-N 0 1 268.360 3.915 20 0 CHADMN Cc1ccsc1[C@H](C)NCc1cc(C2CC2)n(C)n1 ZINC000927112036 1128218576 /nfs/dbraw/zinc/21/85/76/1128218576.db2.gz DKGJRABFHSTLTP-NSHDSACASA-N 0 1 275.421 3.518 20 0 CHADMN Cn1nc(CN[C@H](c2ccccc2)C2CCC2)cc1C1CC1 ZINC000927106137 1128218671 /nfs/dbraw/zinc/21/86/71/1128218671.db2.gz ACTHZIRJZXOTKF-LJQANCHMSA-N 0 1 295.430 3.929 20 0 CHADMN C(=C/c1ccncc1)\CN1CCC[C@@H]1c1ccco1 ZINC000494981900 1128219436 /nfs/dbraw/zinc/21/94/36/1128219436.db2.gz UOKUACLGIFVRJB-NTHKTCTLSA-N 0 1 254.333 3.525 20 0 CHADMN CCc1onc(C)c1CN[C@H]1CCCc2cc(F)ccc21 ZINC000927138500 1128221705 /nfs/dbraw/zinc/22/17/05/1128221705.db2.gz FJNDYEPDBWAUCN-INIZCTEOSA-N 0 1 288.366 3.852 20 0 CHADMN CCN(Cc1cnn(CCF)c1)Cc1cccc(Cl)c1 ZINC000929276624 1128266951 /nfs/dbraw/zinc/26/69/51/1128266951.db2.gz BPQUDFZWJXZWKD-UHFFFAOYSA-N 0 1 295.789 3.528 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cc(C)nnc2C)cc1 ZINC000929278687 1128266962 /nfs/dbraw/zinc/26/69/62/1128266962.db2.gz ZYPYRHVETHXYIT-OAHLLOKOSA-N 0 1 269.392 3.595 20 0 CHADMN Cc1cn(C)nc1CN(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000929271572 1128267027 /nfs/dbraw/zinc/26/70/27/1128267027.db2.gz UCJRWDVNQZIBDN-HNNXBMFYSA-N 0 1 283.419 3.529 20 0 CHADMN CC[N@@H+](C/C=C/c1ccncc1)Cc1cccc(F)c1 ZINC000495058970 1128226616 /nfs/dbraw/zinc/22/66/16/1128226616.db2.gz LJAGUISVPIFASL-GQCTYLIASA-N 0 1 270.351 3.756 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)C/C=C/c1ccncc1 ZINC000495078975 1128228865 /nfs/dbraw/zinc/22/88/65/1128228865.db2.gz LUMSFUGZBGNZLR-GJBLVYBDSA-N 0 1 270.351 3.927 20 0 CHADMN CCN(Cc1coc(C(C)(C)C)n1)C1CCCC1 ZINC000929274891 1128267270 /nfs/dbraw/zinc/26/72/70/1128267270.db2.gz CMLQNELVMIQVTF-UHFFFAOYSA-N 0 1 250.386 3.737 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)CCOC1CCSCC1 ZINC000929285005 1128267412 /nfs/dbraw/zinc/26/74/12/1128267412.db2.gz IWWZKMWICXUHNZ-ZDUSSCGKSA-N 0 1 297.439 3.731 20 0 CHADMN CCOc1c(Cl)cccc1CN(CC)C[C@@H]1CCCO1 ZINC000495152596 1128237817 /nfs/dbraw/zinc/23/78/17/1128237817.db2.gz UFZFUPVOLXUGTG-AWEZNQCLSA-N 0 1 297.826 3.740 20 0 CHADMN Cc1ccc(C)c(CNC2(C(=O)Nc3ccccc3)CC2)c1 ZINC000495173169 1128240553 /nfs/dbraw/zinc/24/05/53/1128240553.db2.gz JKMNSUAXGOPNAF-UHFFFAOYSA-N 0 1 294.398 3.564 20 0 CHADMN C[C@H](OC(=O)[C@@H](C)C1CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000176579443 1128242964 /nfs/dbraw/zinc/24/29/64/1128242964.db2.gz UWMPPFBFXFFOAY-IUCAKERBSA-N 0 1 292.766 3.867 20 0 CHADMN Fc1ccc(CN[C@H]2CCc3c2cc(F)cc3F)cc1 ZINC000154506015 1128243490 /nfs/dbraw/zinc/24/34/90/1128243490.db2.gz QFVFAZRABOCOSE-INIZCTEOSA-N 0 1 277.289 3.881 20 0 CHADMN CCN(Cc1cc(C)nnc1C)[C@@H](C)c1cccc(OC)c1 ZINC000929331575 1128270345 /nfs/dbraw/zinc/27/03/45/1128270345.db2.gz VLAZIEIRKRQBPY-HNNXBMFYSA-N 0 1 299.418 3.685 20 0 CHADMN Cc1nc(C)c(CN(C)[C@H](C)c2ccccc2C)[nH]1 ZINC000929325279 1128270566 /nfs/dbraw/zinc/27/05/66/1128270566.db2.gz IFWOOMZJQGIGRI-CYBMUJFWSA-N 0 1 257.381 3.528 20 0 CHADMN C[C@H]1CN(CCCC(C)(F)F)C[C@@H](c2ccccc2)O1 ZINC000929345776 1128271158 /nfs/dbraw/zinc/27/11/58/1128271158.db2.gz UHYJIQMQQNOQLA-ZFWWWQNUSA-N 0 1 283.362 3.884 20 0 CHADMN CC(C)Oc1ncccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000387020617 1128271440 /nfs/dbraw/zinc/27/14/40/1128271440.db2.gz CUJAYEKRHDDCHK-AWEZNQCLSA-N 0 1 295.386 3.591 20 0 CHADMN Cc1cc(CN(Cc2ccc(F)cc2)C(C)C)c(C)nn1 ZINC000929378149 1128271972 /nfs/dbraw/zinc/27/19/72/1128271972.db2.gz CCMCJBZKXBCOAQ-UHFFFAOYSA-N 0 1 287.382 3.643 20 0 CHADMN CCCN(Cc1cnc(CC)o1)Cc1ccc(OC)cc1 ZINC000929381566 1128272022 /nfs/dbraw/zinc/27/20/22/1128272022.db2.gz OKWIRMSOMIWPNR-UHFFFAOYSA-N 0 1 288.391 3.658 20 0 CHADMN CC(C)(C)c1nc(CN2CCC[C@H]2C2CCC2)co1 ZINC000929504166 1128275984 /nfs/dbraw/zinc/27/59/84/1128275984.db2.gz ODJPBAMDCORVPB-AWEZNQCLSA-N 0 1 262.397 3.737 20 0 CHADMN CC(C)(C)c1nc(CN2CCC[C@@H]2C2CCC2)co1 ZINC000929504167 1128276194 /nfs/dbraw/zinc/27/61/94/1128276194.db2.gz ODJPBAMDCORVPB-CQSZACIVSA-N 0 1 262.397 3.737 20 0 CHADMN COC[C@H]1CCCN(Cc2nc(C)c(C(C)(C)C)s2)C1 ZINC000929635097 1128280821 /nfs/dbraw/zinc/28/08/21/1128280821.db2.gz KBNFPJOZVQQGIH-ZDUSSCGKSA-N 0 1 296.480 3.607 20 0 CHADMN Cc1nc(C)c(CN2C[C@H](C)C[C@@H]2c2ccccc2F)[nH]1 ZINC000929724613 1128283914 /nfs/dbraw/zinc/28/39/14/1128283914.db2.gz CIIADEHXDKHDPS-PIGZYNQJSA-N 0 1 287.382 3.749 20 0 CHADMN CCc1onc(C)c1CN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000929787528 1128287783 /nfs/dbraw/zinc/28/77/83/1128287783.db2.gz MORIDXYZWDEESU-SJKOYZFVSA-N 0 1 270.376 3.738 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)C[C@@H]2c2ccco2)c(C)nn1 ZINC000929758995 1128285421 /nfs/dbraw/zinc/28/54/21/1128285421.db2.gz VIECOFCJKVFQSY-MLGOLLRUSA-N 0 1 285.391 3.660 20 0 CHADMN C[C@@H]1CC/C(=C\C(=O)Nc2cccc(-c3cn[nH]c3)c2)C1 ZINC000762316636 1128291066 /nfs/dbraw/zinc/29/10/66/1128291066.db2.gz NEFRMGVFCIDSHM-FMNNIJNLSA-N 0 1 281.359 3.762 20 0 CHADMN CCc1onc(C)c1CNC(C)(C)c1ccc(F)cc1 ZINC000929960781 1128295484 /nfs/dbraw/zinc/29/54/84/1128295484.db2.gz AXFAJRIHCDCMMO-UHFFFAOYSA-N 0 1 276.355 3.709 20 0 CHADMN CC(F)(F)CCCN1CCc2c(F)cccc2C1 ZINC000930099870 1128300517 /nfs/dbraw/zinc/30/05/17/1128300517.db2.gz OWUKCAQDXFESMW-UHFFFAOYSA-N 0 1 257.299 3.619 20 0 CHADMN Cc1cn(C)nc1CNC(C)(C)c1ccc(C(C)C)cc1 ZINC000929968328 1128296243 /nfs/dbraw/zinc/29/62/43/1128296243.db2.gz AQQSFLFTIUICSI-UHFFFAOYSA-N 0 1 285.435 3.877 20 0 CHADMN CC[C@@](C)(NCCSc1ccncc1)c1nccs1 ZINC000929991182 1128297339 /nfs/dbraw/zinc/29/73/39/1128297339.db2.gz IVBHUEKIJHQQDF-CQSZACIVSA-N 0 1 293.461 3.545 20 0 CHADMN CN(CCCC(C)(F)F)Cc1nc(-c2ccccc2)c[nH]1 ZINC000930043165 1128298878 /nfs/dbraw/zinc/29/88/78/1128298878.db2.gz NMONZZZNOAEDET-UHFFFAOYSA-N 0 1 293.361 3.944 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H](C)c1ccc(F)nc1 ZINC000930179352 1128304004 /nfs/dbraw/zinc/30/40/04/1128304004.db2.gz CYSATTCGPRIIQZ-NEPJUHHUSA-N 0 1 274.339 3.641 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)NCc2cc(C)cc(C)n2)c1 ZINC000930191474 1128305319 /nfs/dbraw/zinc/30/53/19/1128305319.db2.gz BJWXDKZJIWKHRJ-AWEZNQCLSA-N 0 1 297.402 3.508 20 0 CHADMN Cc1nnsc1[C@H](C)N[C@H](C)c1ccc(C)cc1 ZINC000930187990 1128305919 /nfs/dbraw/zinc/30/59/19/1128305919.db2.gz JVIWTAKKIJJILM-MNOVXSKESA-N 0 1 261.394 3.567 20 0 CHADMN O=C1[C@@H]2CCCCC[C@@H]2N1CN1CCC[C@@H]1c1ccccc1 ZINC000749936769 1128306085 /nfs/dbraw/zinc/30/60/85/1128306085.db2.gz HRZQYDGWGATGCS-KURKYZTESA-N 0 1 298.430 3.572 20 0 CHADMN COC1(C)CCN(Cc2nc(C)c(C(C)(C)C)s2)CC1 ZINC000930234355 1128310223 /nfs/dbraw/zinc/31/02/23/1128310223.db2.gz NFIVRXUQRFVGES-UHFFFAOYSA-N 0 1 296.480 3.750 20 0 CHADMN COC/C(C)=C\CN1CC(C)(C)[C@H]1c1cccs1 ZINC000930492476 1128321658 /nfs/dbraw/zinc/32/16/58/1128321658.db2.gz GPONYHAFYLGHGE-YRBHFNIASA-N 0 1 265.422 3.724 20 0 CHADMN c1c(CN2CCC[C@@H](Nc3ccccc3)C2)onc1C1CC1 ZINC000660101995 1128317633 /nfs/dbraw/zinc/31/76/33/1128317633.db2.gz RYDYZXFQPATOTE-MRXNPFEDSA-N 0 1 297.402 3.629 20 0 CHADMN COC/C(C)=C/CN1CC(C)(C)[C@H]1c1cccs1 ZINC000930492475 1128321988 /nfs/dbraw/zinc/32/19/88/1128321988.db2.gz GPONYHAFYLGHGE-WEKMIXOTSA-N 0 1 265.422 3.724 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2cccc(O)c2)c1 ZINC000237364977 1128322246 /nfs/dbraw/zinc/32/22/46/1128322246.db2.gz VMWUSECJBYMNOD-CHWSQXEVSA-N 0 1 298.386 3.762 20 0 CHADMN CC(C)c1ccccc1CN[C@@](C)(CO)c1cccc(O)c1 ZINC000930497992 1128322981 /nfs/dbraw/zinc/32/29/81/1128322981.db2.gz BFXPRBYXEXXDRC-IBGZPJMESA-N 0 1 299.414 3.513 20 0 CHADMN CC(C)Oc1ccc(NC(=O)c2cccc3cn[nH]c32)cc1 ZINC000053819973 1128325657 /nfs/dbraw/zinc/32/56/57/1128325657.db2.gz JJSLQVMUPSZUCG-UHFFFAOYSA-N 0 1 295.342 3.602 20 0 CHADMN Cc1ccc2nc(NC(=O)CCCc3ccccc3)[nH]c2c1 ZINC000561508327 1128333902 /nfs/dbraw/zinc/33/39/02/1128333902.db2.gz MZYBGHQYBGWSNF-UHFFFAOYSA-N 0 1 293.370 3.833 20 0 CHADMN CC(C)N(Cc1cccs1)C(=O)c1cccc(F)c1O ZINC000930621656 1128328409 /nfs/dbraw/zinc/32/84/09/1128328409.db2.gz PGWNQYHVDWISGF-UHFFFAOYSA-N 0 1 293.363 3.644 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccc(F)cc2C)c(C)nn1 ZINC000930665034 1128330281 /nfs/dbraw/zinc/33/02/81/1128330281.db2.gz WZECGOOMSHADRD-GOSISDBHSA-N 0 1 299.393 3.878 20 0 CHADMN CC(C)c1ccccc1CN1CCC[C@H]1c1ncccn1 ZINC000931055222 1128345822 /nfs/dbraw/zinc/34/58/22/1128345822.db2.gz UVEXBRJQJYMJOW-KRWDZBQOSA-N 0 1 281.403 3.937 20 0 CHADMN Cc1cncc(Br)c1CN(C)CC1CCCC1 ZINC001235643650 1128345849 /nfs/dbraw/zinc/34/58/49/1128345849.db2.gz VTELZZOSSQRRIT-UHFFFAOYSA-N 0 1 297.240 3.775 20 0 CHADMN CC(C)Oc1ccc(CN2CC[C@@H]3C[C@@H]32)cc1Cl ZINC000778096606 1128413388 /nfs/dbraw/zinc/41/33/88/1128413388.db2.gz XEDFYZADLQJFHD-OCCSQVGLSA-N 0 1 265.784 3.721 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(C)ccn1 ZINC001203519487 1128348852 /nfs/dbraw/zinc/34/88/52/1128348852.db2.gz IDFQVHDKGNUPHW-UHFFFAOYSA-N 0 1 265.316 3.690 20 0 CHADMN O=C(NOC1CCCCC1)[C@@H]1CCc2c1cccc2Cl ZINC000777961228 1128349236 /nfs/dbraw/zinc/34/92/36/1128349236.db2.gz LVYFGBFCEPIEMG-CQSZACIVSA-N 0 1 293.794 3.750 20 0 CHADMN CCCC[C@H](CC)[N@@H+](CC)CC(=O)OC(C)(C)C ZINC001257424158 1128355702 /nfs/dbraw/zinc/35/57/02/1128355702.db2.gz BWBZGJRTGXQLLF-ZDUSSCGKSA-N 0 1 257.418 3.619 20 0 CHADMN CCCC[C@H](CC)N(CC)CC(=O)OC(C)(C)C ZINC001257424158 1128355705 /nfs/dbraw/zinc/35/57/05/1128355705.db2.gz BWBZGJRTGXQLLF-ZDUSSCGKSA-N 0 1 257.418 3.619 20 0 CHADMN CCc1ccc(C2CCN([C@H](C)c3ncccn3)CC2)cc1 ZINC000931329523 1128356711 /nfs/dbraw/zinc/35/67/11/1128356711.db2.gz ATHJIZWAYULZJK-OAHLLOKOSA-N 0 1 295.430 3.980 20 0 CHADMN CC(C)CCN(C)Cc1coc(-c2ccccc2)n1 ZINC000193985057 1128360308 /nfs/dbraw/zinc/36/03/08/1128360308.db2.gz IWPGWTPZUMEHNE-UHFFFAOYSA-N 0 1 258.365 3.820 20 0 CHADMN Clc1cccc([C@@H](NC2CC2)c2ccccn2)c1 ZINC000763162032 1128361865 /nfs/dbraw/zinc/36/18/65/1128361865.db2.gz HZBYXWVHKKPQCX-OAHLLOKOSA-N 0 1 258.752 3.576 20 0 CHADMN C[C@H](c1ccccc1F)N1CCC(c2ncco2)CC1 ZINC000931452675 1128363436 /nfs/dbraw/zinc/36/34/36/1128363436.db2.gz UGYKMGKRSGUTQS-GFCCVEGCSA-N 0 1 274.339 3.754 20 0 CHADMN Cc1cc(C)nc(CN(C)Cc2ccc3cc[nH]c3c2)c1 ZINC000931562694 1128369666 /nfs/dbraw/zinc/36/96/66/1128369666.db2.gz DABDRBMFZRGAIV-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN CCCCCC[C@@H](C)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000763190444 1128370260 /nfs/dbraw/zinc/37/02/60/1128370260.db2.gz YLKJVMAKDSRAAC-OLZOCXBDSA-N 0 1 294.443 3.712 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2csc(-c3ccco3)n2)C1 ZINC000055472398 1128370885 /nfs/dbraw/zinc/37/08/85/1128370885.db2.gz ASIMWDVZQRAOFK-RYUDHWBXSA-N 0 1 276.405 3.881 20 0 CHADMN CCCCC[C@@H](C)CC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000763198469 1128372950 /nfs/dbraw/zinc/37/29/50/1128372950.db2.gz QSSQREYPDSWNTG-OLZOCXBDSA-N 0 1 294.443 3.712 20 0 CHADMN C[C@@H]1Oc2cc(F)ccc2[C@@H]1N[C@@H]1CCc2ccccc21 ZINC000562060304 1128375234 /nfs/dbraw/zinc/37/52/34/1128375234.db2.gz WRPPQOHDJPTEOX-LIXBPZJASA-N 0 1 283.346 3.925 20 0 CHADMN Fc1cc(F)c(CN[C@H]2CC[C@@H]2C2CC2)c(F)c1F ZINC000562066082 1128375442 /nfs/dbraw/zinc/37/54/42/1128375442.db2.gz YPBGRVDTVJLYMP-PELKAZGASA-N 0 1 273.273 3.521 20 0 CHADMN Fc1cc(F)c(CN[C@@H]2CC[C@@H]2C2CC2)c(F)c1F ZINC000562066089 1128376023 /nfs/dbraw/zinc/37/60/23/1128376023.db2.gz YPBGRVDTVJLYMP-PRHODGIISA-N 0 1 273.273 3.521 20 0 CHADMN Fc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1F ZINC000562206413 1128386259 /nfs/dbraw/zinc/38/62/59/1128386259.db2.gz CFFOOMRQTRIBFR-HNNXBMFYSA-N 0 1 263.331 3.729 20 0 CHADMN Fc1cccc(CN2CC3(CCC3)[C@@H]2C2CC2)c1F ZINC000562206413 1128386261 /nfs/dbraw/zinc/38/62/61/1128386261.db2.gz CFFOOMRQTRIBFR-HNNXBMFYSA-N 0 1 263.331 3.729 20 0 CHADMN C[C@H]1CC[N@@H+](CCc2ccc(F)cc2Cl)CCS1 ZINC000562212876 1128386965 /nfs/dbraw/zinc/38/69/65/1128386965.db2.gz ROHHUJVGEYPSIC-NSHDSACASA-N 0 1 287.831 3.849 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1cc(O)cc(Cl)c1 ZINC001235904752 1128387557 /nfs/dbraw/zinc/38/75/57/1128387557.db2.gz RPFMAJPKVMURGZ-UHFFFAOYSA-N 0 1 258.708 3.897 20 0 CHADMN CSCC1CCN([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000932588070 1128416728 /nfs/dbraw/zinc/41/67/28/1128416728.db2.gz ZQDXJUYMYSHKFR-LBPRGKRZSA-N 0 1 290.432 3.964 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@H]2CCCc3ccc(O)cc32)cn1 ZINC000562280643 1128392700 /nfs/dbraw/zinc/39/27/00/1128392700.db2.gz JIQPQHHFAJBCLL-ACJLOTCBSA-N 0 1 299.418 3.898 20 0 CHADMN CC[C@@H](C)N1CCN(c2ccc(F)c(Cl)c2F)CC1 ZINC001257437486 1128395446 /nfs/dbraw/zinc/39/54/46/1128395446.db2.gz JGVHAGFOLHHYOP-SNVBAGLBSA-N 0 1 288.769 3.539 20 0 CHADMN Cn1ccc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)n1 ZINC000932134425 1128395793 /nfs/dbraw/zinc/39/57/93/1128395793.db2.gz ZZVRUPGNKXKLCB-LLVKDONJSA-N 0 1 295.839 3.515 20 0 CHADMN Cn1ccc([C@@H]2CCCN(Cc3ccc(Cl)s3)C2)n1 ZINC000932134425 1128395798 /nfs/dbraw/zinc/39/57/98/1128395798.db2.gz ZZVRUPGNKXKLCB-LLVKDONJSA-N 0 1 295.839 3.515 20 0 CHADMN CC(C)(C)OC[C@@H]1CCCN1Cc1nc2ccccc2o1 ZINC000932171823 1128397540 /nfs/dbraw/zinc/39/75/40/1128397540.db2.gz IRJAZGXUBGUYKU-ZDUSSCGKSA-N 0 1 288.391 3.607 20 0 CHADMN CCc1cnc(CN2CC[C@@](C)(c3ccc(C)cc3)C2)o1 ZINC000562425967 1128402107 /nfs/dbraw/zinc/40/21/07/1128402107.db2.gz JZDVWFPVAJVEQP-GOSISDBHSA-N 0 1 284.403 3.709 20 0 CHADMN C[C@H](c1cccc(Cl)c1)N1CCO[C@H](C)CC1 ZINC000932344770 1128405553 /nfs/dbraw/zinc/40/55/53/1128405553.db2.gz CWXROCRHQKUOED-VXGBXAGGSA-N 0 1 253.773 3.512 20 0 CHADMN C[C@H](c1ccccc1Cl)N1CCO[C@H](C)CC1 ZINC000932351332 1128405830 /nfs/dbraw/zinc/40/58/30/1128405830.db2.gz UZOISTQGSPNXKC-VXGBXAGGSA-N 0 1 253.773 3.512 20 0 CHADMN c1ccc([C@@H](NCc2ccccc2OC2CC2)C2CC2)nc1 ZINC000932387595 1128406992 /nfs/dbraw/zinc/40/69/92/1128406992.db2.gz YONCCRYSBSGYLS-IBGZPJMESA-N 0 1 294.398 3.864 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1Cl ZINC000328190082 1128408335 /nfs/dbraw/zinc/40/83/35/1128408335.db2.gz CTOLHKOIMUUZIX-YPMHNXCESA-N 0 1 265.784 3.810 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1Cl ZINC000328190082 1128408337 /nfs/dbraw/zinc/40/83/37/1128408337.db2.gz CTOLHKOIMUUZIX-YPMHNXCESA-N 0 1 265.784 3.810 20 0 CHADMN Fc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)c(F)c1 ZINC000562807383 1128420576 /nfs/dbraw/zinc/42/05/76/1128420576.db2.gz BSLMXOCEESJTIE-HNNXBMFYSA-N 0 1 263.331 3.729 20 0 CHADMN FC(F)(F)CC1C[C@H]2CC[C@@H](C1)N2Cc1cncs1 ZINC000932802289 1128421470 /nfs/dbraw/zinc/42/14/70/1128421470.db2.gz KVGYQXGLPBZONM-FGWVZKOKSA-N 0 1 290.354 3.839 20 0 CHADMN CCc1nc(SCc2nc(C)c(C(C)(C)C)s2)n[nH]1 ZINC000916515318 1128422630 /nfs/dbraw/zinc/42/26/30/1128422630.db2.gz KASGJBRHIVPNGL-UHFFFAOYSA-N 0 1 296.465 3.722 20 0 CHADMN CCc1n[nH]c(SCc2nc(C)c(C(C)(C)C)s2)n1 ZINC000916515318 1128422632 /nfs/dbraw/zinc/42/26/32/1128422632.db2.gz KASGJBRHIVPNGL-UHFFFAOYSA-N 0 1 296.465 3.722 20 0 CHADMN Cc1ncc(CSc2n[nH]c(CCC3CCCC3)n2)o1 ZINC000916544925 1128424047 /nfs/dbraw/zinc/42/40/47/1128424047.db2.gz NQMPYCNOOTUGRP-UHFFFAOYSA-N 0 1 292.408 3.516 20 0 CHADMN Cc1ncc(CSc2nc(CCC3CCCC3)n[nH]2)o1 ZINC000916544925 1128424049 /nfs/dbraw/zinc/42/40/49/1128424049.db2.gz NQMPYCNOOTUGRP-UHFFFAOYSA-N 0 1 292.408 3.516 20 0 CHADMN CC[C@@H](C)N1Cc2ccc(Br)cc2C[C@H]1C ZINC001257447440 1128425272 /nfs/dbraw/zinc/42/52/72/1128425272.db2.gz GEARTQYCLDKUKP-GHMZBOCLSA-N 0 1 282.225 3.994 20 0 CHADMN c1cn(C2CCCC2)nc1CN1CCCCCCC1 ZINC000763399350 1128431341 /nfs/dbraw/zinc/43/13/41/1128431341.db2.gz WAPADCGTQOIHOY-UHFFFAOYSA-N 0 1 261.413 3.764 20 0 CHADMN CCC[C@@H](C)N(C)Cc1cc(C(C)=O)ccc1OCC ZINC000037404893 1128431745 /nfs/dbraw/zinc/43/17/45/1128431745.db2.gz UYXLYAAQXNXSSE-CYBMUJFWSA-N 0 1 277.408 3.908 20 0 CHADMN Cc1cccc(OCC[NH2+]Cc2cccc([O-])c2Cl)c1 ZINC000328454891 1128432134 /nfs/dbraw/zinc/43/21/34/1128432134.db2.gz HSYDSKJCLZFLBJ-UHFFFAOYSA-N 0 1 291.778 3.523 20 0 CHADMN Cc1cccc(OCCNCc2cccc(O)c2Cl)c1 ZINC000328454891 1128432135 /nfs/dbraw/zinc/43/21/35/1128432135.db2.gz HSYDSKJCLZFLBJ-UHFFFAOYSA-N 0 1 291.778 3.523 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN(C)C[C@H](C)CC ZINC000037641756 1128433472 /nfs/dbraw/zinc/43/34/72/1128433472.db2.gz BGTPBGGPWIPGOT-CYBMUJFWSA-N 0 1 277.408 3.766 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(C)cc(F)n1 ZINC001203524882 1128434877 /nfs/dbraw/zinc/43/48/77/1128434877.db2.gz FWERSHJEJGCNTM-UHFFFAOYSA-N 0 1 283.306 3.830 20 0 CHADMN CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(O)c(Cl)c1 ZINC000088302015 1128436316 /nfs/dbraw/zinc/43/63/16/1128436316.db2.gz PNVKVYUOADXFOH-ZJUUUORDSA-N 0 1 269.772 3.600 20 0 CHADMN C[C@@H](NCc1ccc(F)nc1)c1ccc2ncsc2c1 ZINC000778181200 1128438882 /nfs/dbraw/zinc/43/88/82/1128438882.db2.gz ZOFLIOMOKIWQRN-SNVBAGLBSA-N 0 1 287.363 3.681 20 0 CHADMN COCc1ccc(CN(Cc2ccoc2)C2CC2)cc1 ZINC000934006185 1128449578 /nfs/dbraw/zinc/44/95/78/1128449578.db2.gz XILQSJRVAPSBRH-UHFFFAOYSA-N 0 1 271.360 3.591 20 0 CHADMN CC[C@H]1CCN(Cc2ncc(-c3cccs3)o2)C1 ZINC000125475364 1128449702 /nfs/dbraw/zinc/44/97/02/1128449702.db2.gz NBYBKVLTTAFBLU-NSHDSACASA-N 0 1 262.378 3.635 20 0 CHADMN CC[C@@H]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000125326366 1128449259 /nfs/dbraw/zinc/44/92/59/1128449259.db2.gz BWTQHRFPZMIKBN-LLVKDONJSA-N 0 1 291.782 3.622 20 0 CHADMN CCCCC1(N[C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000934206805 1128454713 /nfs/dbraw/zinc/45/47/13/1128454713.db2.gz DTIOODGUJMZURU-LBPRGKRZSA-N 0 1 285.391 3.709 20 0 CHADMN CCC[C@@H](C)CC[C@@H](C)NCc1ncc(Cl)cn1 ZINC001257465794 1128450364 /nfs/dbraw/zinc/45/03/64/1128450364.db2.gz BRTVGTRVXUIQSB-VXGBXAGGSA-N 0 1 269.820 3.825 20 0 CHADMN CSCC[C@@H](C)[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000126508887 1128463770 /nfs/dbraw/zinc/46/37/70/1128463770.db2.gz WEHUOYMWLLJZMS-LLVKDONJSA-N 0 1 296.461 3.977 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1ncc(-c2cccs2)o1 ZINC000126508887 1128463772 /nfs/dbraw/zinc/46/37/72/1128463772.db2.gz WEHUOYMWLLJZMS-LLVKDONJSA-N 0 1 296.461 3.977 20 0 CHADMN c1cc([C@@H]2C[N@@H+](CCC3CCCC3)CCO2)cs1 ZINC000126592257 1128464569 /nfs/dbraw/zinc/46/45/69/1128464569.db2.gz MRAABNUMMUWCHL-HNNXBMFYSA-N 0 1 265.422 3.702 20 0 CHADMN c1cc([C@@H]2CN(CCC3CCCC3)CCO2)cs1 ZINC000126592257 1128464570 /nfs/dbraw/zinc/46/45/70/1128464570.db2.gz MRAABNUMMUWCHL-HNNXBMFYSA-N 0 1 265.422 3.702 20 0 CHADMN c1ccc2sc(CN[C@@H](c3ccncc3)C3CC3)nc2c1 ZINC000934687664 1128466362 /nfs/dbraw/zinc/46/63/62/1128466362.db2.gz PIAREIKFQCBIKJ-QGZVFWFLSA-N 0 1 295.411 3.932 20 0 CHADMN CC(C)Oc1ccnc(CN[C@@H](c2ccncc2)C2CC2)c1 ZINC000934703030 1128467023 /nfs/dbraw/zinc/46/70/23/1128467023.db2.gz ZSPDDVSXQVTFRP-GOSISDBHSA-N 0 1 297.402 3.505 20 0 CHADMN FC(F)(F)c1coc(CN[C@H](c2ccncc2)C2CC2)c1 ZINC000934702334 1128467138 /nfs/dbraw/zinc/46/71/38/1128467138.db2.gz WDAKDWJOJYFBSE-AWEZNQCLSA-N 0 1 296.292 3.934 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccncc2)C2CC2)nc1Cl ZINC000934701515 1128467387 /nfs/dbraw/zinc/46/73/87/1128467387.db2.gz RFUOWPXLBDLRGJ-OAHLLOKOSA-N 0 1 287.794 3.679 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cccc(C)n1)CCCO2 ZINC000127267771 1128474935 /nfs/dbraw/zinc/47/49/35/1128474935.db2.gz KALDYFSCCSVSLX-KRWDZBQOSA-N 0 1 282.387 3.702 20 0 CHADMN CC(C)C[N@H+]1Cc2cccc(NC(=O)C3(C)CC=CC3)c2C1 ZINC000934999017 1128475973 /nfs/dbraw/zinc/47/59/73/1128475973.db2.gz BFZMOFXQNWSRGQ-UHFFFAOYSA-N 0 1 298.430 3.953 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)C3(C)CC=CC3)c2C1 ZINC000934999017 1128475975 /nfs/dbraw/zinc/47/59/75/1128475975.db2.gz BFZMOFXQNWSRGQ-UHFFFAOYSA-N 0 1 298.430 3.953 20 0 CHADMN Cc1nc2c(n1CCOc1cccc(Cl)c1)CCCC2 ZINC000563853906 1128482250 /nfs/dbraw/zinc/48/22/50/1128482250.db2.gz VSJOZJRCWYZJEP-UHFFFAOYSA-N 0 1 290.794 3.803 20 0 CHADMN CCCC[C@@H](CC)C[N@@H+](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000563893221 1128483430 /nfs/dbraw/zinc/48/34/30/1128483430.db2.gz YADFBJVEHZZUIA-NVXWUHKLSA-N 0 1 291.435 3.831 20 0 CHADMN CCOc1ccc(CN2CCC(OC(C)C)CC2)cc1F ZINC000563929569 1128485627 /nfs/dbraw/zinc/48/56/27/1128485627.db2.gz ZOAXDTDCBAFURK-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN C/C=C\c1ccc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000497408155 1128490089 /nfs/dbraw/zinc/49/00/89/1128490089.db2.gz WPFFKYZHCCCSSL-QMAVJUDZSA-N 0 1 298.390 3.504 20 0 CHADMN CCCn1cc(CNCc2cc3cc(C)ccc3o2)cn1 ZINC000564100642 1128493437 /nfs/dbraw/zinc/49/34/37/1128493437.db2.gz DHLPLEXZQBZTMP-UHFFFAOYSA-N 0 1 283.375 3.638 20 0 CHADMN F[C@@]1(c2ccccc2)CCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000564106137 1128493667 /nfs/dbraw/zinc/49/36/67/1128493667.db2.gz SAUJBKPHVGCBCA-SFHVURJKSA-N 0 1 295.361 3.634 20 0 CHADMN CC(C)CCc1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000564550233 1128511829 /nfs/dbraw/zinc/51/18/29/1128511829.db2.gz KLDZSVDALGMJDX-UHFFFAOYSA-N 0 1 291.370 3.526 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000567116507 1128558334 /nfs/dbraw/zinc/55/83/34/1128558334.db2.gz ACMYAONBRCAMBP-RYUDHWBXSA-N 0 1 279.380 3.551 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1ccc(F)cn1 ZINC000564717049 1128513887 /nfs/dbraw/zinc/51/38/87/1128513887.db2.gz HIKPXGOHAUKGDK-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN CC(C)[C@H]1CN([C@@H](C)c2cc(F)ccc2F)CCCO1 ZINC000564785887 1128515369 /nfs/dbraw/zinc/51/53/69/1128515369.db2.gz COHLSLIBPXMRAC-BLLLJJGKSA-N 0 1 283.362 3.773 20 0 CHADMN Cc1cnccc1CCN1CCc2sc(Cl)cc2C1 ZINC000564916188 1128516743 /nfs/dbraw/zinc/51/67/43/1128516743.db2.gz SNHYYBXTEMKSFV-UHFFFAOYSA-N 0 1 292.835 3.706 20 0 CHADMN Fc1cc(CN2CC[C@H](c3cccnc3)C2)ccc1Cl ZINC000564918681 1128517215 /nfs/dbraw/zinc/51/72/15/1128517215.db2.gz DVZYUGPKJDTZHH-AWEZNQCLSA-N 0 1 290.769 3.864 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](CC[C@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000565103014 1128519705 /nfs/dbraw/zinc/51/97/05/1128519705.db2.gz HNUGMLMJOIDBOA-GUYCJALGSA-N 0 1 287.403 3.508 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000565108318 1128520178 /nfs/dbraw/zinc/52/01/78/1128520178.db2.gz XENIEQSXILEGAY-SJKOYZFVSA-N 0 1 291.391 3.552 20 0 CHADMN CC(C)CCc1ccc(NC(=O)[C@@H](C)Cc2cnc[nH]2)cc1 ZINC000565176604 1128521764 /nfs/dbraw/zinc/52/17/64/1128521764.db2.gz GXIDYOWDGIYXCH-AWEZNQCLSA-N 0 1 299.418 3.816 20 0 CHADMN COc1ccc(CN2CCCc3occc3C2)cc1C ZINC000567148069 1128559050 /nfs/dbraw/zinc/55/90/50/1128559050.db2.gz BKVHPDAQQBMXQH-UHFFFAOYSA-N 0 1 271.360 3.545 20 0 CHADMN Cc1ccc([C@@H](C)[N@@H+](C)Cc2ncccc2O)c(C)c1 ZINC000565272640 1128523409 /nfs/dbraw/zinc/52/34/09/1128523409.db2.gz WMGGDDLHLDCTSY-CQSZACIVSA-N 0 1 270.376 3.597 20 0 CHADMN O=C([O-])CCC[N@H+]1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000565443098 1128526895 /nfs/dbraw/zinc/52/68/95/1128526895.db2.gz HXMMMACRSCBGDG-CFYYFVFUSA-N 0 1 293.432 3.871 20 0 CHADMN CC(=CC(=O)Nc1ccc2nc(C)[nH]c2c1)c1ccccc1 ZINC000917989516 1128527658 /nfs/dbraw/zinc/52/76/58/1128527658.db2.gz JDCPGOMEACQMID-BENRWUELSA-N 0 1 291.354 3.913 20 0 CHADMN CC(C)(C)C[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000565662776 1128530845 /nfs/dbraw/zinc/53/08/45/1128530845.db2.gz LLKODNFPLBDTFI-LLVKDONJSA-N 0 1 281.421 3.847 20 0 CHADMN CC1(C)CCN(Cc2cnc3ccc(Cl)cn23)CC1 ZINC000565723130 1128531524 /nfs/dbraw/zinc/53/15/24/1128531524.db2.gz IPEQRLRJVWOUIP-UHFFFAOYSA-N 0 1 277.799 3.610 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000565780200 1128532565 /nfs/dbraw/zinc/53/25/65/1128532565.db2.gz QBGQZXUJWHYSPB-PHIMTYICSA-N 0 1 281.783 3.516 20 0 CHADMN c1ccc2c(C[N@H+]3CCC[C@@H]3c3ccncc3)ccnc2c1 ZINC000567200420 1128559847 /nfs/dbraw/zinc/55/98/47/1128559847.db2.gz GFLYBCKVMBCCJW-LJQANCHMSA-N 0 1 289.382 3.967 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000041123580 1128536951 /nfs/dbraw/zinc/53/69/51/1128536951.db2.gz GHRYTCYISJQLEZ-SNVBAGLBSA-N 0 1 286.162 3.699 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@H]1c1cccs1 ZINC000566359092 1128542460 /nfs/dbraw/zinc/54/24/60/1128542460.db2.gz PNQDHRIWOYBQKN-LBPRGKRZSA-N 0 1 267.394 3.530 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CCCc1ccccc1Cl ZINC000566360655 1128542710 /nfs/dbraw/zinc/54/27/10/1128542710.db2.gz YEPZSZCUBXEBKC-OAHLLOKOSA-N 0 1 297.826 3.704 20 0 CHADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC000566368811 1128543791 /nfs/dbraw/zinc/54/37/91/1128543791.db2.gz RZIPDVZVQVEDTL-KURKYZTESA-N 0 1 299.414 3.639 20 0 CHADMN CC[C@@H](c1ccccc1)N(CC)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000566436459 1128544492 /nfs/dbraw/zinc/54/44/92/1128544492.db2.gz KMMDQAYCHNXDFY-YOEHRIQHSA-N 0 1 299.418 3.588 20 0 CHADMN COc1cc([C@@H](C)N[C@@H]2CSc3ccccc32)ccn1 ZINC000567224743 1128560677 /nfs/dbraw/zinc/56/06/77/1128560677.db2.gz WKZFOJXTDWFEGL-BXUZGUMPSA-N 0 1 286.400 3.588 20 0 CHADMN O=C(OCc1cccc(Cl)c1)c1cccc2[nH]ncc21 ZINC000918500904 1128547837 /nfs/dbraw/zinc/54/78/37/1128547837.db2.gz QBPCYQZBEFPPTI-UHFFFAOYSA-N 0 1 286.718 3.573 20 0 CHADMN C[C@H]1CN(Cc2ccc3nc[nH]c3c2)c2ccccc21 ZINC000566697659 1128549812 /nfs/dbraw/zinc/54/98/12/1128549812.db2.gz HOKMCMFBFBNOBS-LBPRGKRZSA-N 0 1 263.344 3.687 20 0 CHADMN C[C@H](c1ccccc1F)N1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000566766655 1128550997 /nfs/dbraw/zinc/55/09/97/1128550997.db2.gz YZIVDIWKEBEDNC-DAXOMENPSA-N 0 1 277.383 3.776 20 0 CHADMN CC(C)COc1ccc(C(C)(C)NCc2cnccn2)cc1 ZINC000566900483 1128553844 /nfs/dbraw/zinc/55/38/44/1128553844.db2.gz OVJBCAPODIMOMF-UHFFFAOYSA-N 0 1 299.418 3.536 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1cnc2c(C)cccn12 ZINC000566942397 1128554442 /nfs/dbraw/zinc/55/44/42/1128554442.db2.gz GCKWNMPPJOYNMT-KRWDZBQOSA-N 0 1 294.402 3.621 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1occc1C(=O)[O-] ZINC000566979307 1128555784 /nfs/dbraw/zinc/55/57/84/1128555784.db2.gz SIRDOPRDYXOVNT-ZFWWWQNUSA-N 0 1 299.370 3.746 20 0 CHADMN CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ncccc1[O-] ZINC000567026162 1128556707 /nfs/dbraw/zinc/55/67/07/1128556707.db2.gz VGOSFHGJTWIUBI-AEFFLSMTSA-N 0 1 296.414 3.945 20 0 CHADMN Cc1ncncc1[C@@H](C)NCc1cccc(C(C)C)c1 ZINC000567290959 1128562057 /nfs/dbraw/zinc/56/20/57/1128562057.db2.gz QKWNFYHIQHOQKH-CYBMUJFWSA-N 0 1 269.392 3.759 20 0 CHADMN CCC(C)=Cc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000567324610 1128562134 /nfs/dbraw/zinc/56/21/34/1128562134.db2.gz IVTOJVHGUSABFO-UITAMQMPSA-N 0 1 268.320 3.735 20 0 CHADMN CC[N@@H+](Cc1ccc(Cl)s1)[C@H](CC(C)C)C(=O)[O-] ZINC000567742746 1128570907 /nfs/dbraw/zinc/57/09/07/1128570907.db2.gz SYZSNUBTTHEUQT-LLVKDONJSA-N 0 1 289.828 3.723 20 0 CHADMN Cc1ncccc1CN(Cc1cccs1)C1CC1 ZINC000130261438 1128575529 /nfs/dbraw/zinc/57/55/29/1128575529.db2.gz XVBHKLOTMUVTGI-UHFFFAOYSA-N 0 1 258.390 3.616 20 0 CHADMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC000568065810 1128576817 /nfs/dbraw/zinc/57/68/17/1128576817.db2.gz HJGMWKSAKLJAPV-DLBZAZTESA-N 0 1 289.419 3.585 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000568058143 1128577142 /nfs/dbraw/zinc/57/71/42/1128577142.db2.gz CINXZGFDUYFSQS-GDBMZVCRSA-N 0 1 297.345 3.603 20 0 CHADMN Cc1ccccc1C[N@@H+](C)CC[C@H](C(=O)[O-])c1ccccc1 ZINC000568060949 1128577431 /nfs/dbraw/zinc/57/74/31/1128577431.db2.gz UVLOBKYDHSISJU-SFHVURJKSA-N 0 1 297.398 3.685 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@](C)(CCC)C1 ZINC000568521353 1128587161 /nfs/dbraw/zinc/58/71/61/1128587161.db2.gz WNIMCUIRVJJQBI-HIFRSBDPSA-N 0 1 255.402 3.532 20 0 CHADMN Cc1ncc([C@H](C)N2CC[C@@H]2c2ccccc2)c(C)n1 ZINC000637813944 1129231436 /nfs/dbraw/zinc/23/14/36/1129231436.db2.gz UFGXZDQTNABDGM-SUMWQHHRSA-N 0 1 267.376 3.601 20 0 CHADMN Cc1ccc(CC2CCN(Cc3ccno3)CC2)cc1C ZINC000568583462 1128588166 /nfs/dbraw/zinc/58/81/66/1128588166.db2.gz ZSCFTQLMCNOTAR-UHFFFAOYSA-N 0 1 284.403 3.746 20 0 CHADMN Cc1nc2cc(NCCCc3cnccc3C)ccc2n1C ZINC000568613672 1128588626 /nfs/dbraw/zinc/58/86/26/1128588626.db2.gz HIFDJWXLJJDAMH-UHFFFAOYSA-N 0 1 294.402 3.630 20 0 CHADMN CSc1ccc(CN2CCC[C@@H](OCC3CC3)C2)s1 ZINC000568820782 1128592117 /nfs/dbraw/zinc/59/21/17/1128592117.db2.gz RDDDGDAEOWPXGK-CYBMUJFWSA-N 0 1 297.489 3.861 20 0 CHADMN Cc1ccc2cc([C@@H](C)NCc3n[nH]c(C4CC4)n3)oc2c1 ZINC000568840850 1128593235 /nfs/dbraw/zinc/59/32/35/1128593235.db2.gz AZYVJKQCAJUBGK-LLVKDONJSA-N 0 1 296.374 3.588 20 0 CHADMN C[C@@H]1CC[N@H+](Cc2ncccc2[O-])CC12CCCCC2 ZINC000569052226 1128597444 /nfs/dbraw/zinc/59/74/44/1128597444.db2.gz HVGNBROLAJMEFQ-CQSZACIVSA-N 0 1 274.408 3.580 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ncccc2[O-])CC12CCCCC2 ZINC000569052226 1128597447 /nfs/dbraw/zinc/59/74/47/1128597447.db2.gz HVGNBROLAJMEFQ-CQSZACIVSA-N 0 1 274.408 3.580 20 0 CHADMN CCOC(=O)[C@H]1CCCN([C@@H](C)c2ccccc2Cl)C1 ZINC000071793796 1128598258 /nfs/dbraw/zinc/59/82/58/1128598258.db2.gz MKRBHLOIIRUZHP-STQMWFEESA-N 0 1 295.810 3.676 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(-c2ccc(F)cc2)no1 ZINC000386701514 1129231503 /nfs/dbraw/zinc/23/15/03/1129231503.db2.gz UZQRJXPOSULGHG-GFCCVEGCSA-N 0 1 277.343 3.572 20 0 CHADMN CCC1CC(NCc2cc(-c3ccccc3)on2)C1 ZINC000556584801 1128606633 /nfs/dbraw/zinc/60/66/33/1128606633.db2.gz ZCMVMRKFWRYXNK-UHFFFAOYSA-N 0 1 256.349 3.620 20 0 CHADMN Cc1cc(-c2noc([C@H](C)C3CCC3)n2)cc2nc[nH]c21 ZINC000569678763 1128606654 /nfs/dbraw/zinc/60/66/54/1128606654.db2.gz YPXUUZQCMKKKAZ-SNVBAGLBSA-N 0 1 282.347 3.825 20 0 CHADMN CCn1nccc1CN(C)[C@H](C)c1cc(C)ccc1C ZINC000131370362 1128616324 /nfs/dbraw/zinc/61/63/24/1128616324.db2.gz IULJUQIIPLMYIW-OAHLLOKOSA-N 0 1 271.408 3.713 20 0 CHADMN Cc1oc([C@H](C)[N@@H+](C)CCc2ccccc2)cc1C(=O)[O-] ZINC000569732530 1128608255 /nfs/dbraw/zinc/60/82/55/1128608255.db2.gz MSSBJRHENYRLOT-LBPRGKRZSA-N 0 1 287.359 3.522 20 0 CHADMN CCC[C@H](CC1CCCC1)C(=O)NCc1n[nH]c(C)c1C ZINC001123902481 1128611315 /nfs/dbraw/zinc/61/13/15/1128611315.db2.gz XLGASLAUUCBNFP-OAHLLOKOSA-N 0 1 291.439 3.639 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000570581711 1128626552 /nfs/dbraw/zinc/62/65/52/1128626552.db2.gz TUVRGPGKUJUWTC-STQMWFEESA-N 0 1 281.359 3.943 20 0 CHADMN CC[C@@](C)(NCCOc1cccc(F)c1)c1nccs1 ZINC000072684870 1128628346 /nfs/dbraw/zinc/62/83/46/1128628346.db2.gz OGIKIIDTKNWQRA-OAHLLOKOSA-N 0 1 294.395 3.576 20 0 CHADMN Fc1cccc(Cl)c1CCC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000570633289 1128628448 /nfs/dbraw/zinc/62/84/48/1128628448.db2.gz JURKGZGWLZOAIN-WBMJQRKESA-N 0 1 297.801 3.523 20 0 CHADMN Cc1nc(CN2[C@H](C)CCC[C@@H]2C)nc2ccccc12 ZINC000072697407 1128629303 /nfs/dbraw/zinc/62/93/03/1128629303.db2.gz KHMXNQLMJSFGGZ-BETUJISGSA-N 0 1 269.392 3.701 20 0 CHADMN Cc1noc([C@H](C)N(C)[C@H]2CC[C@](C)(c3ccccc3)C2)n1 ZINC000570696616 1128629973 /nfs/dbraw/zinc/62/99/73/1128629973.db2.gz PRSBCOXYIVYVOM-OWQGQXMQSA-N 0 1 299.418 3.881 20 0 CHADMN Cc1ccnc([C@H](C)N[C@@H]2CCc3ccc(F)cc32)c1 ZINC000556859353 1128631413 /nfs/dbraw/zinc/63/14/13/1128631413.db2.gz YRBXPZKHNLVPMQ-BLLLJJGKSA-N 0 1 270.351 3.867 20 0 CHADMN Cc1cnc(CN2CCC[C@]2(C)Cc2cccc(F)c2)o1 ZINC000570797710 1128632995 /nfs/dbraw/zinc/63/29/95/1128632995.db2.gz DLQNKAPJGFCRFX-QGZVFWFLSA-N 0 1 288.366 3.719 20 0 CHADMN Brc1cccc2c1CN([C@H]1CCCSC1)C2 ZINC001257676447 1128633836 /nfs/dbraw/zinc/63/38/36/1128633836.db2.gz KPYSUZDMVUTTMT-NSHDSACASA-N 0 1 298.249 3.660 20 0 CHADMN CC(C)c1ncc(CN[C@@H](C)c2cccc(O)c2)s1 ZINC000132120989 1128643807 /nfs/dbraw/zinc/64/38/07/1128643807.db2.gz GBLXSQMYBNGJHX-NSHDSACASA-N 0 1 276.405 3.823 20 0 CHADMN C[C@H](CCc1ccccc1)CN1CCOC[C@H]1CC(F)F ZINC000573045356 1128650744 /nfs/dbraw/zinc/65/07/44/1128650744.db2.gz LJESUUNORLIADF-GDBMZVCRSA-N 0 1 297.389 3.611 20 0 CHADMN ClC1(Cl)C[C@H]1C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000763444355 1128648903 /nfs/dbraw/zinc/64/89/03/1128648903.db2.gz JLORLPTXIXLDSG-LBPRGKRZSA-N 0 1 292.250 3.605 20 0 CHADMN ClC1(Cl)C[C@H]1CN1CCOC2(C1)CCCCCC2 ZINC000763444355 1128648904 /nfs/dbraw/zinc/64/89/04/1128648904.db2.gz JLORLPTXIXLDSG-LBPRGKRZSA-N 0 1 292.250 3.605 20 0 CHADMN COc1ccc(CNc2ccnc(C)c2Cl)cc1Cl ZINC000499140134 1128653548 /nfs/dbraw/zinc/65/35/48/1128653548.db2.gz USGHZTRDZFHJNA-UHFFFAOYSA-N 0 1 297.185 3.739 20 0 CHADMN C/C(=C\c1ccccc1)CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000556967762 1128653660 /nfs/dbraw/zinc/65/36/60/1128653660.db2.gz QJQXQZDHQXEHED-MVVBNGQASA-N 0 1 283.415 3.733 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](CCC(C)C)C1CC1 ZINC000573379426 1128653867 /nfs/dbraw/zinc/65/38/67/1128653867.db2.gz HAKUBQMBKQUYDZ-UHFFFAOYSA-N 0 1 279.380 3.551 20 0 CHADMN Cc1oc(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)cc1C(=O)[O-] ZINC000573452501 1128654211 /nfs/dbraw/zinc/65/42/11/1128654211.db2.gz SFOXUORQMNCVLA-LRDDRELGSA-N 0 1 299.370 3.664 20 0 CHADMN CCN(Cc1cccs1)Cc1c(C)nsc1C ZINC000573400662 1128654772 /nfs/dbraw/zinc/65/47/72/1128654772.db2.gz HVPAKFZHHTVPRR-UHFFFAOYSA-N 0 1 266.435 3.844 20 0 CHADMN CC1(C)CN(Cc2c[nH]c(-c3ccccc3)n2)[C@@H]1C1CC1 ZINC000573616448 1128655831 /nfs/dbraw/zinc/65/58/31/1128655831.db2.gz ORPCKNQMJHQOTG-MRXNPFEDSA-N 0 1 281.403 3.697 20 0 CHADMN Cc1ccccc1C[C@H](C)N(C)Cc1ccn(C(C)C)n1 ZINC000573669181 1128656639 /nfs/dbraw/zinc/65/66/39/1128656639.db2.gz IACUIOKTIOGUPB-INIZCTEOSA-N 0 1 285.435 3.835 20 0 CHADMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1ccsc1C(=O)[O-])C1CC1 ZINC000573975155 1128660545 /nfs/dbraw/zinc/66/05/45/1128660545.db2.gz KQVUJRATEKBRPH-GHMZBOCLSA-N 0 1 281.421 3.845 20 0 CHADMN CCC[C@@H](N[C@@H]1CCSC1)c1ncccc1Cl ZINC000925477687 1128664112 /nfs/dbraw/zinc/66/41/12/1128664112.db2.gz GDILMHPQAPRWJN-ZYHUDNBSSA-N 0 1 270.829 3.671 20 0 CHADMN CCCCCC[C@H](CC)c1nc(C2(N)CCC2)no1 ZINC000842615930 1128672376 /nfs/dbraw/zinc/67/23/76/1128672376.db2.gz BEMGTRGYJDYYJJ-LBPRGKRZSA-N 0 1 265.401 3.872 20 0 CHADMN CC[C@H](N[C@@H](C)c1c[nH]nc1C)c1ccccc1OC ZINC000779014316 1128678363 /nfs/dbraw/zinc/67/83/63/1128678363.db2.gz ODOINXBMVLPBEW-NHYWBVRUSA-N 0 1 273.380 3.529 20 0 CHADMN CC[C@H](C)CN(C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000600685289 1128678018 /nfs/dbraw/zinc/67/80/18/1128678018.db2.gz XLJQNPHKMLVDED-NSHDSACASA-N 0 1 293.798 3.868 20 0 CHADMN CC[C@H]1CN(CCSc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000600701000 1128678962 /nfs/dbraw/zinc/67/89/62/1128678962.db2.gz QIYQNMHSVCBANB-JSGCOSHPSA-N 0 1 299.867 3.931 20 0 CHADMN FC1(F)[C@@H](CN2CC3(C2)CC(F)(F)C3)[C@@H]1c1ccccc1 ZINC000930127714 1128681176 /nfs/dbraw/zinc/68/11/76/1128681176.db2.gz IZKMSLFLIIDPOL-STQMWFEESA-N 0 1 299.311 3.766 20 0 CHADMN C[C@H](NCC1CCCCC1)c1nc(C(C)(C)C)no1 ZINC000237540024 1128686032 /nfs/dbraw/zinc/68/60/32/1128686032.db2.gz BLJXNWICJBSQEQ-NSHDSACASA-N 0 1 265.401 3.598 20 0 CHADMN c1ccc(-c2ncc(CN3CC4(C3)CCCCC4)cn2)cc1 ZINC000577938645 1128699384 /nfs/dbraw/zinc/69/93/84/1128699384.db2.gz HQMBCJSCRCPNLV-UHFFFAOYSA-N 0 1 293.414 3.910 20 0 CHADMN Cc1c(C)c(C)c(C[N@H+](C)[C@@H](C)CC(=O)[O-])c(C)c1C ZINC000578027801 1128703644 /nfs/dbraw/zinc/70/36/44/1128703644.db2.gz LTIVLMKKDBNHHR-JTQLQIEISA-N 0 1 277.408 3.524 20 0 CHADMN COC(=O)c1ccc2c(c1)[C@H](NCc1ccc(C)o1)CCC2 ZINC000601303132 1128708864 /nfs/dbraw/zinc/70/88/64/1128708864.db2.gz CSHLLNOWTFUUBF-QGZVFWFLSA-N 0 1 299.370 3.542 20 0 CHADMN c1cc(CN[C@@H]2CCSc3ccccc32)n(C2CCC2)n1 ZINC000921488627 1128710901 /nfs/dbraw/zinc/71/09/01/1128710901.db2.gz BYZSVIHVFRXWLM-MRXNPFEDSA-N 0 1 299.443 3.935 20 0 CHADMN Cc1cc(C[N@@H+](C)Cc2ccc(C(=O)[O-])s2)ccc1F ZINC000578199742 1128711416 /nfs/dbraw/zinc/71/14/16/1128711416.db2.gz UTFUWNTUQULRSF-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN CC(C)CCc1ccccc1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000578203338 1128711578 /nfs/dbraw/zinc/71/15/78/1128711578.db2.gz OPYAJRNWEGYDOS-CQSZACIVSA-N 0 1 299.418 3.816 20 0 CHADMN CCOc1ccc(CN2CCCC[C@@H](F)C2)c(C)c1 ZINC001138430804 1128712278 /nfs/dbraw/zinc/71/22/78/1128712278.db2.gz JOHLBLAGYMUDLY-OAHLLOKOSA-N 0 1 265.372 3.718 20 0 CHADMN Cc1cccc(CN[C@@H]2c3ccc(F)cc3O[C@H]2C)c1 ZINC000578277365 1128713292 /nfs/dbraw/zinc/71/32/92/1128713292.db2.gz ZXUKKMMXXVEMBE-SJCJKPOMSA-N 0 1 271.335 3.746 20 0 CHADMN CCCCN[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000542620737 1128717350 /nfs/dbraw/zinc/71/73/50/1128717350.db2.gz TUBKAUUBAGPUGO-NSHDSACASA-N 0 1 277.343 3.635 20 0 CHADMN CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CC(=O)c1ccc([O-])cc1 ZINC001258060791 1128720202 /nfs/dbraw/zinc/72/02/02/1128720202.db2.gz LELUXRXVIBELEH-ZIAGYGMSSA-N 0 1 277.408 3.625 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2cscc2Cl)n[nH]1 ZINC000683078202 1117751506 /nfs/dbraw/zinc/75/15/06/1117751506.db2.gz CEYPLCXWBSDURG-BDAKNGLRSA-N 0 1 298.843 3.884 20 0 CHADMN c1nc(C2CC2)sc1CN1CCC(OC2CCC2)CC1 ZINC000579690190 1117752744 /nfs/dbraw/zinc/75/27/44/1117752744.db2.gz DQJQKKPJOSRKIO-UHFFFAOYSA-N 0 1 292.448 3.554 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cccnc1)CCS2 ZINC000035043424 1117762675 /nfs/dbraw/zinc/76/26/75/1117762675.db2.gz CSBUGXRACYQPCK-CQSZACIVSA-N 0 1 274.364 3.547 20 0 CHADMN CCc1nocc1CN[C@H]1CCCc2ccc(F)cc21 ZINC000339378084 1117765372 /nfs/dbraw/zinc/76/53/72/1117765372.db2.gz KSIUAGAODPDYSQ-INIZCTEOSA-N 0 1 274.339 3.543 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc3cccnc32)o1 ZINC000035054976 1117765472 /nfs/dbraw/zinc/76/54/72/1117765472.db2.gz OLWPZOWDXHEKAQ-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN Cc1ccc(CCC[N@H+](C)Cc2nc3ccccc3o2)o1 ZINC001207948897 1117767418 /nfs/dbraw/zinc/76/74/18/1117767418.db2.gz BFUICPQLLTWXDM-UHFFFAOYSA-N 0 1 284.359 3.794 20 0 CHADMN Cc1ccc(CCCN(C)Cc2nc3ccccc3o2)o1 ZINC001207948897 1117767422 /nfs/dbraw/zinc/76/74/22/1117767422.db2.gz BFUICPQLLTWXDM-UHFFFAOYSA-N 0 1 284.359 3.794 20 0 CHADMN CCc1cccc2c1OCC[C@H]2N[C@H](C)c1cncnc1C ZINC000579731979 1117768178 /nfs/dbraw/zinc/76/81/78/1117768178.db2.gz QNOIWJZROZFOFG-CXAGYDPISA-N 0 1 297.402 3.522 20 0 CHADMN Cc1cnc(CN[C@@H]2CCC[C@H](c3ccccc3)C2)o1 ZINC000683109413 1117770445 /nfs/dbraw/zinc/77/04/45/1117770445.db2.gz DTIIOEYNPMVCFZ-JKSUJKDBSA-N 0 1 270.376 3.799 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)Cc1cn(C)nc1C(F)F ZINC000274635240 1117776080 /nfs/dbraw/zinc/77/60/80/1117776080.db2.gz ZZURXIQUVRZYQC-SNVBAGLBSA-N 0 1 297.324 3.690 20 0 CHADMN CCc1noc(C)c1CNCc1cccc2ccccc21 ZINC000339437725 1117788623 /nfs/dbraw/zinc/78/86/23/1117788623.db2.gz LGICEZLJHNZONZ-UHFFFAOYSA-N 0 1 280.371 3.988 20 0 CHADMN Cc1ccoc1C[N@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000430158557 1117790259 /nfs/dbraw/zinc/79/02/59/1117790259.db2.gz WHWDWHWYGQBLQX-UHFFFAOYSA-N 0 1 295.329 3.864 20 0 CHADMN Cc1ccoc1CN(C)Cc1ccc(OCC(F)F)cc1 ZINC000430158557 1117790262 /nfs/dbraw/zinc/79/02/62/1117790262.db2.gz WHWDWHWYGQBLQX-UHFFFAOYSA-N 0 1 295.329 3.864 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1ccc(O)cc1 ZINC000035015111 1117790523 /nfs/dbraw/zinc/79/05/23/1117790523.db2.gz IONABORRQUCENE-CYBMUJFWSA-N 0 1 271.360 3.560 20 0 CHADMN C(=C\c1ccccc1)\CN1CCN(c2ccccc2)CC1 ZINC000035104317 1117791415 /nfs/dbraw/zinc/79/14/15/1117791415.db2.gz CWRHKUXOSFZMTH-YFHOEESVSA-N 0 1 278.399 3.522 20 0 CHADMN CSc1ccc(Cl)cc1NC(=S)NC(C)C ZINC000064371877 1117834107 /nfs/dbraw/zinc/83/41/07/1117834107.db2.gz CZNUMTQZZKUDSD-UHFFFAOYSA-N 0 1 274.842 3.757 20 0 CHADMN CCC[C@@H](C(=O)Nc1nc(-c2cccs2)n[nH]1)C(C)C ZINC000763806374 1117809008 /nfs/dbraw/zinc/80/90/08/1117809008.db2.gz OGEYBLKKIGBCPA-SNVBAGLBSA-N 0 1 292.408 3.544 20 0 CHADMN CCCc1ccccc1NC(=O)[C@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC000623181922 1117819639 /nfs/dbraw/zinc/81/96/39/1117819639.db2.gz VSMAXIWTTROROL-WFASDCNBSA-N 0 1 297.402 3.667 20 0 CHADMN CCCCN(CCCC)C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623182462 1117819743 /nfs/dbraw/zinc/81/97/43/1117819743.db2.gz QXEBSAPKXSHCPD-DZGCQCFKSA-N 0 1 291.439 3.504 20 0 CHADMN CCc1ccc(NC(=O)[C@H]2C[C@H](C)Cc3cn[nH]c32)cc1C ZINC000623207618 1117824013 /nfs/dbraw/zinc/82/40/13/1117824013.db2.gz YJOMYUONHJFPDV-BZNIZROVSA-N 0 1 297.402 3.585 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cnc(C(C)(C)C)nc1)CC2 ZINC000671307228 1117825276 /nfs/dbraw/zinc/82/52/76/1117825276.db2.gz JVIXUONGHRLKKK-KRWDZBQOSA-N 0 1 295.430 3.860 20 0 CHADMN CC(C)(C)c1ncc(CN[C@@H]2CCc3ccc(F)cc32)cn1 ZINC000671307251 1117826393 /nfs/dbraw/zinc/82/63/93/1117826393.db2.gz VWUBRVSGENJWEI-MRXNPFEDSA-N 0 1 299.393 3.690 20 0 CHADMN CC[C@H](NCc1cc(C(=O)OC)oc1C)c1ccccc1 ZINC000579084730 1128737466 /nfs/dbraw/zinc/73/74/66/1128737466.db2.gz BXAQQSOHLHGCOE-HNNXBMFYSA-N 0 1 287.359 3.616 20 0 CHADMN Cc1cc(CN2CCCC[C@@H](F)C2)cc(C)c1F ZINC001143373988 1117839482 /nfs/dbraw/zinc/83/94/82/1117839482.db2.gz HPVVRODBSOYQDZ-CQSZACIVSA-N 0 1 253.336 3.767 20 0 CHADMN CC[C@H]1C[C@H](C)C[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000072918628 1117843180 /nfs/dbraw/zinc/84/31/80/1117843180.db2.gz QGYCMAQXBCWGGD-JSGCOSHPSA-N 0 1 270.376 3.561 20 0 CHADMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000072918628 1117843183 /nfs/dbraw/zinc/84/31/83/1117843183.db2.gz QGYCMAQXBCWGGD-JSGCOSHPSA-N 0 1 270.376 3.561 20 0 CHADMN Cc1ccoc1CN[C@@H](C)[C@H](O)c1c(F)cccc1Cl ZINC000072923450 1117844648 /nfs/dbraw/zinc/84/46/48/1117844648.db2.gz OAPCZPQSGQZMQD-BONVTDFDSA-N 0 1 297.757 3.592 20 0 CHADMN FC(F)(F)c1ncc(CNc2cc3c(cn2)CCC3)s1 ZINC000339551126 1117847411 /nfs/dbraw/zinc/84/74/11/1117847411.db2.gz BCCCGKNHZDRUPW-UHFFFAOYSA-N 0 1 299.321 3.658 20 0 CHADMN COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185564222 1117848932 /nfs/dbraw/zinc/84/89/32/1117848932.db2.gz XUTSSSVEDTXXTQ-MNOVXSKESA-N 0 1 285.815 3.900 20 0 CHADMN Fc1ccc2cc(CNc3cc4c(cn3)CCC4)[nH]c2c1 ZINC000339553828 1117850314 /nfs/dbraw/zinc/85/03/14/1117850314.db2.gz JNUSYVQCMOHFKH-UHFFFAOYSA-N 0 1 281.334 3.803 20 0 CHADMN CC[C@@H](NCc1cccc2n[nH]cc21)c1nc(C)cs1 ZINC000623406121 1117852946 /nfs/dbraw/zinc/85/29/46/1117852946.db2.gz LBGFTDMZJMDJGX-CYBMUJFWSA-N 0 1 286.404 3.569 20 0 CHADMN CCCC[N@@H+](CC[C@@H](C)c1ccc(C)o1)CC(=O)OCC ZINC001208167785 1117853168 /nfs/dbraw/zinc/85/31/68/1117853168.db2.gz KHOCGHDPCUEGOI-CQSZACIVSA-N 0 1 295.423 3.747 20 0 CHADMN CCCCN(CC[C@@H](C)c1ccc(C)o1)CC(=O)OCC ZINC001208167785 1117853174 /nfs/dbraw/zinc/85/31/74/1117853174.db2.gz KHOCGHDPCUEGOI-CQSZACIVSA-N 0 1 295.423 3.747 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000233984412 1117853635 /nfs/dbraw/zinc/85/36/35/1117853635.db2.gz ACWGXZKEWKYHSL-GOSISDBHSA-N 0 1 289.419 3.689 20 0 CHADMN CC[C@@H](NC)c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000233888733 1128738759 /nfs/dbraw/zinc/73/87/59/1128738759.db2.gz QFQKXMVZNCNEBJ-SNVBAGLBSA-N 0 1 286.162 3.714 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNc2cc3c(cn2)CCC3)o1 ZINC000339556817 1117853825 /nfs/dbraw/zinc/85/38/25/1117853825.db2.gz PDOZDAQSTLJTSP-ABAIWWIYSA-N 0 1 268.360 3.899 20 0 CHADMN CC(=O)[C@H]1CCCCN1CC[C@H](C)c1ccc(C)o1 ZINC001208171036 1117854694 /nfs/dbraw/zinc/85/46/94/1117854694.db2.gz YKDSQSCVEWBSOH-SWLSCSKDSA-N 0 1 263.381 3.525 20 0 CHADMN CC(C)C[C@@H]1CCC[N@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000623436014 1117856112 /nfs/dbraw/zinc/85/61/12/1117856112.db2.gz LEHUALYRYLWNRN-SFHVURJKSA-N 0 1 283.419 3.883 20 0 CHADMN Cc1cscc1CNCc1ccc(F)c(F)c1N(C)C ZINC000623509111 1117862723 /nfs/dbraw/zinc/86/27/23/1117862723.db2.gz TTWSLPBDFUXXOD-UHFFFAOYSA-N 0 1 296.386 3.691 20 0 CHADMN C[C@@H](Cc1ccsc1)N1CCOc2cccc(F)c2C1 ZINC000670271713 1117862778 /nfs/dbraw/zinc/86/27/78/1117862778.db2.gz GAKVTUDQFXRACE-LBPRGKRZSA-N 0 1 291.391 3.713 20 0 CHADMN C[C@H]1C[C@H](NCc2c(F)ccc(F)c2Cl)CS1 ZINC000623549533 1117869703 /nfs/dbraw/zinc/86/97/03/1117869703.db2.gz FEOQOMYEPGQDMS-YUMQZZPRSA-N 0 1 277.767 3.602 20 0 CHADMN C[C@@H]1SCC[C@@H]1NCc1c(F)ccc(F)c1Cl ZINC000623558720 1117871710 /nfs/dbraw/zinc/87/17/10/1117871710.db2.gz GVKIKXPBPTXOLU-CPCISQLKSA-N 0 1 277.767 3.602 20 0 CHADMN Cc1ccncc1CCNCc1c(F)ccc(F)c1Cl ZINC000623563738 1117872462 /nfs/dbraw/zinc/87/24/62/1117872462.db2.gz IVDFWBVPWDFFJS-UHFFFAOYSA-N 0 1 296.748 3.654 20 0 CHADMN COCc1cnc(CN(C)[C@@H]2CCC[C@@H]2C(C)(C)C)s1 ZINC000579215919 1128741500 /nfs/dbraw/zinc/74/15/00/1128741500.db2.gz OXAKFBIJVAAXHC-UONOGXRCSA-N 0 1 296.480 3.936 20 0 CHADMN F[C@H]1CCC[C@H]1NCc1cnc(-c2ccsc2)s1 ZINC000339586893 1117891218 /nfs/dbraw/zinc/89/12/18/1117891218.db2.gz NGSKNRSQOVKLPS-NWDGAFQWSA-N 0 1 282.409 3.852 20 0 CHADMN Clc1cccc(Cl)c1CSCCc1c[nH]nn1 ZINC000579252815 1128742567 /nfs/dbraw/zinc/74/25/67/1128742567.db2.gz FCPKOEPOTVXUGW-UHFFFAOYSA-N 0 1 288.203 3.587 20 0 CHADMN Cc1ccc2nc(CNC(=O)[C@H]3CCCC(C)(C)C3)[nH]c2c1 ZINC000178980882 1117900117 /nfs/dbraw/zinc/90/01/17/1117900117.db2.gz YQAGEDUUNMAKDV-ZDUSSCGKSA-N 0 1 299.418 3.704 20 0 CHADMN Clc1ccc(CNCc2ccc3c(c2)CCC3)o1 ZINC000066879070 1117900580 /nfs/dbraw/zinc/90/05/80/1117900580.db2.gz PPMVSGUQZLAZTB-UHFFFAOYSA-N 0 1 261.752 3.712 20 0 CHADMN CCC(C)(C)CC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000615280584 1128742774 /nfs/dbraw/zinc/74/27/74/1128742774.db2.gz GAXAUGYIRSRAKG-UHFFFAOYSA-N 0 1 287.363 3.547 20 0 CHADMN CC[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1 ZINC000023991276 1117908161 /nfs/dbraw/zinc/90/81/61/1117908161.db2.gz GFJMENQEJUJQKZ-CQSZACIVSA-N 0 1 280.799 3.543 20 0 CHADMN C/C=C\CNCc1csc(-c2ccc(C)cc2)n1 ZINC000623739327 1117909023 /nfs/dbraw/zinc/90/90/23/1117909023.db2.gz RKGNNCXMTLFHDQ-ARJAWSKDSA-N 0 1 258.390 3.784 20 0 CHADMN CCCCC/C(=C\c1ccccc1)CN(C)Cc1nnc[nH]1 ZINC000179798301 1117914398 /nfs/dbraw/zinc/91/43/98/1117914398.db2.gz CIKPGAMGWGSTDH-SFQUDFHCSA-N 0 1 298.434 3.900 20 0 CHADMN CO[C@H](C)c1noc(CN[C@H](CCC(C)C)C(C)(C)C)n1 ZINC000179909650 1117915704 /nfs/dbraw/zinc/91/57/04/1117915704.db2.gz XWTBUMBQFMOXPN-CHWSQXEVSA-N 0 1 297.443 3.718 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1ccnn1C1CCC1 ZINC000921505434 1117920330 /nfs/dbraw/zinc/92/03/30/1117920330.db2.gz DMWHBZQSRLMRNF-AWEZNQCLSA-N 0 1 299.418 3.776 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)C[C@H]2C)ncc1Cl ZINC001238418060 1117921843 /nfs/dbraw/zinc/92/18/43/1117921843.db2.gz JDIRXJHEOOHYHB-ZYHUDNBSSA-N 0 1 252.789 3.664 20 0 CHADMN C[C@@H](c1nc(-c2ccc(Cl)o2)no1)N1[C@H](C)CC[C@H]1C ZINC000350911448 1117921936 /nfs/dbraw/zinc/92/19/36/1117921936.db2.gz RFRRLIYRZHZDLN-BBBLOLIVSA-N 0 1 295.770 3.917 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cn3ccsc3n2)cc1 ZINC000180104966 1117922892 /nfs/dbraw/zinc/92/28/92/1117922892.db2.gz SYIBUCNOFVIXER-UHFFFAOYSA-N 0 1 299.443 3.983 20 0 CHADMN CC(C)c1ccc(C(=O)Nc2ccc3nc[nH]c3c2)c(O)c1 ZINC001625807124 1117928879 /nfs/dbraw/zinc/92/88/79/1117928879.db2.gz OREOSXBALHPCFO-UHFFFAOYSA-N 0 1 295.342 3.644 20 0 CHADMN Fc1ccccc1OCCN1CC[C@H]1c1ccccc1 ZINC000471178623 1117929100 /nfs/dbraw/zinc/92/91/00/1117929100.db2.gz PDUYLRDRSDMNNX-INIZCTEOSA-N 0 1 271.335 3.652 20 0 CHADMN F[C@@H]1CCC[C@@H](c2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000351340241 1117936652 /nfs/dbraw/zinc/93/66/52/1117936652.db2.gz IWJGZWZBBFYMLS-GHMZBOCLSA-N 0 1 286.310 3.609 20 0 CHADMN CS[C@@H]1CC[C@H]1N[C@@H](C)c1c(F)cccc1F ZINC000361943939 1117944271 /nfs/dbraw/zinc/94/42/71/1117944271.db2.gz FANRZVIYBUEYLQ-XXILOJSOSA-N 0 1 257.349 3.509 20 0 CHADMN Fc1cccc(F)c1CCN[C@@H]1CCCc2scnc21 ZINC000623866694 1117945681 /nfs/dbraw/zinc/94/56/81/1117945681.db2.gz CIVQIMXKROXIJO-CYBMUJFWSA-N 0 1 294.370 3.631 20 0 CHADMN CCC1CCC(N(Cc2nccc(C)n2)C2CC2)CC1 ZINC000339647983 1117946641 /nfs/dbraw/zinc/94/66/41/1117946641.db2.gz PNRHTGDAIFIEKK-UHFFFAOYSA-N 0 1 273.424 3.718 20 0 CHADMN Cc1ccnc(CN2CCC[C@@H]2CCCc2ccccc2)n1 ZINC000339664327 1117949945 /nfs/dbraw/zinc/94/99/45/1117949945.db2.gz ZNJKFHQFCJWBOF-SFHVURJKSA-N 0 1 295.430 3.772 20 0 CHADMN Cc1ccnc(CN(C)[C@H](C)Cc2ccc(Cl)cc2)n1 ZINC000339662795 1117950268 /nfs/dbraw/zinc/95/02/68/1117950268.db2.gz OIFGOINXFMCTLJ-CYBMUJFWSA-N 0 1 289.810 3.501 20 0 CHADMN Cc1noc(C)c1CCN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000339663499 1117950479 /nfs/dbraw/zinc/95/04/79/1117950479.db2.gz RGZRXZPOCIOJIU-MRXNPFEDSA-N 0 1 290.794 3.934 20 0 CHADMN Cc1csc([C@@H](C)NC[C@H](C)Oc2ccc(F)cc2)n1 ZINC000623899991 1117951016 /nfs/dbraw/zinc/95/10/16/1117951016.db2.gz ZTBRQYZOCXYAPX-NWDGAFQWSA-N 0 1 294.395 3.709 20 0 CHADMN Cc1csc([C@@H](C)NC[C@@H](C)Oc2ccc(C)cc2)n1 ZINC000623899520 1117951218 /nfs/dbraw/zinc/95/12/18/1117951218.db2.gz KMGWQQRHCAFSPB-ZIAGYGMSSA-N 0 1 290.432 3.878 20 0 CHADMN c1nc2c(s1)CCC[C@H]2N[C@H]1C[C@H]1Cc1ccccc1 ZINC000623916979 1117953377 /nfs/dbraw/zinc/95/33/77/1117953377.db2.gz DNMRHXJDAHVQPK-KFWWJZLASA-N 0 1 284.428 3.741 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@@H](C)N2CC(C)=C[C@H](C)C2)c1 ZINC000430261963 1117953611 /nfs/dbraw/zinc/95/36/11/1117953611.db2.gz KSGLITHPBFGQPZ-XJKSGUPXSA-N 0 1 286.419 3.528 20 0 CHADMN COc1ccc(OC)c(CN[C@H](C)c2ccc(C)s2)c1 ZINC000049158628 1128746369 /nfs/dbraw/zinc/74/63/69/1128746369.db2.gz VGOKFFDXSMWWFM-GFCCVEGCSA-N 0 1 291.416 3.925 20 0 CHADMN CC(C)[C@]1(CO)CCCN(Cc2cccc(Cl)c2F)C1 ZINC000339702791 1117960865 /nfs/dbraw/zinc/96/08/65/1117960865.db2.gz VYXLWHRGVULQOR-MRXNPFEDSA-N 0 1 299.817 3.710 20 0 CHADMN CC(C)[C@]1(CO)CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000339706455 1117960869 /nfs/dbraw/zinc/96/08/69/1117960869.db2.gz NJAVFAPTHUEHOL-MRXNPFEDSA-N 0 1 299.817 3.710 20 0 CHADMN CC(C)[C@]1(CO)CCCN(Cc2cc(F)ccc2Cl)C1 ZINC000339706455 1117960872 /nfs/dbraw/zinc/96/08/72/1117960872.db2.gz NJAVFAPTHUEHOL-MRXNPFEDSA-N 0 1 299.817 3.710 20 0 CHADMN CC1=C[C@H](C)C[N@@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000430266782 1117962721 /nfs/dbraw/zinc/96/27/21/1117962721.db2.gz HTLOOUIFLMRQMA-AWEZNQCLSA-N 0 1 294.398 3.676 20 0 CHADMN CC1=C[C@H](C)CN(CC(=O)Nc2cccc3ccccc32)C1 ZINC000430266782 1117962723 /nfs/dbraw/zinc/96/27/23/1117962723.db2.gz HTLOOUIFLMRQMA-AWEZNQCLSA-N 0 1 294.398 3.676 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N(C)Cc1cnc(N)s1 ZINC000094193113 1128746824 /nfs/dbraw/zinc/74/68/24/1128746824.db2.gz RBVNZQOMNFNBJR-SECBINFHSA-N 0 1 281.812 3.572 20 0 CHADMN CC[C@H](NCc1ccn(CC)n1)c1cc(C)ccc1C ZINC000624000254 1117967679 /nfs/dbraw/zinc/96/76/79/1117967679.db2.gz UNQUHGMMXTWZIH-KRWDZBQOSA-N 0 1 271.408 3.761 20 0 CHADMN Cc1ccccc1OCCCN1CCn2cccc2[C@H]1C ZINC000109316723 1117968077 /nfs/dbraw/zinc/96/80/77/1117968077.db2.gz BVPLRSSQSMEXJU-MRXNPFEDSA-N 0 1 284.403 3.642 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@H]1CC[C@H](F)C1 ZINC000579396486 1128747144 /nfs/dbraw/zinc/74/71/44/1128747144.db2.gz YWQWZHWYFZBZPS-UWVGGRQHSA-N 0 1 278.302 3.685 20 0 CHADMN CCC(CC)[C@@H](NCc1ncc[nH]1)c1ccccc1 ZINC000049715311 1117969012 /nfs/dbraw/zinc/96/90/12/1117969012.db2.gz QOBWYGKGNMJPRM-MRXNPFEDSA-N 0 1 257.381 3.677 20 0 CHADMN C[C@H](NCc1ccc(-c2ccccc2)o1)c1cn[nH]c1 ZINC000339796175 1117976529 /nfs/dbraw/zinc/97/65/29/1117976529.db2.gz XKEZZMHQNNOGTH-LBPRGKRZSA-N 0 1 267.332 3.521 20 0 CHADMN CCN(C(=O)c1ccc2cncn2c1)c1cc(C)cc(C)c1 ZINC000339814833 1117978461 /nfs/dbraw/zinc/97/84/61/1117978461.db2.gz QFXSTNVGNVNUER-UHFFFAOYSA-N 0 1 293.370 3.618 20 0 CHADMN CC[C@@H](NC(=O)c1ccc2cncn2c1)c1ccc(C)cc1 ZINC000339821465 1117979710 /nfs/dbraw/zinc/97/97/10/1117979710.db2.gz DJQDFGSZCRZWTI-QGZVFWFLSA-N 0 1 293.370 3.524 20 0 CHADMN CC[C@H](NC(=O)c1ccc2cncn2c1)c1ccc(C)cc1 ZINC000339821464 1117979970 /nfs/dbraw/zinc/97/99/70/1117979970.db2.gz DJQDFGSZCRZWTI-KRWDZBQOSA-N 0 1 293.370 3.524 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N2CC(C)=C[C@@H](C)C2)cc1C ZINC000430276923 1117982934 /nfs/dbraw/zinc/98/29/34/1117982934.db2.gz DQSDWWYGFDRSDH-MLGOLLRUSA-N 0 1 286.419 3.528 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000232784142 1117988500 /nfs/dbraw/zinc/98/85/00/1117988500.db2.gz SZKSWYJQGKSULQ-MRXNPFEDSA-N 0 1 297.345 3.557 20 0 CHADMN CO[C@H]1CCCN(Cc2ccc(Cl)c(C)c2F)CC1 ZINC001238518508 1117997274 /nfs/dbraw/zinc/99/72/74/1117997274.db2.gz RPBJDMNOASAOSB-ZDUSSCGKSA-N 0 1 285.790 3.788 20 0 CHADMN CC(C)CN(Cc1ccccn1)[C@@H](C)c1ccc(F)nc1 ZINC000932446697 1117998612 /nfs/dbraw/zinc/99/86/12/1117998612.db2.gz AITIIQRUCRFRCU-AWEZNQCLSA-N 0 1 287.382 3.835 20 0 CHADMN CC(C)CN(Cc1ccccn1)[C@H](C)c1ccc(F)nc1 ZINC000932446705 1117998959 /nfs/dbraw/zinc/99/89/59/1117998959.db2.gz AITIIQRUCRFRCU-CQSZACIVSA-N 0 1 287.382 3.835 20 0 CHADMN Cc1ccccc1OCCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000510157675 1118004545 /nfs/dbraw/zinc/00/45/45/1118004545.db2.gz AFWYBSRWQZSIIY-KRWDZBQOSA-N 0 1 299.418 3.714 20 0 CHADMN CCCCO[C@H]1C[C@@H](NCc2ncc(C)s2)C1(C)C ZINC000181825638 1118007585 /nfs/dbraw/zinc/00/75/85/1118007585.db2.gz LJDXXDGXSDBLMV-OLZOCXBDSA-N 0 1 282.453 3.525 20 0 CHADMN Cc1cncc(CN[C@@H]2CC(C)(C)Cc3occc32)c1 ZINC000181841533 1118008312 /nfs/dbraw/zinc/00/83/12/1118008312.db2.gz OVYHEFJYYLSNCD-OAHLLOKOSA-N 0 1 270.376 3.786 20 0 CHADMN Cc1cnn(-c2ccncc2NCc2cc(F)ccc2C)c1 ZINC000180348383 1118010218 /nfs/dbraw/zinc/01/02/18/1118010218.db2.gz NCJQKDHWSINRFM-UHFFFAOYSA-N 0 1 296.349 3.635 20 0 CHADMN CCCCc1nc(CN[C@H](CC)[C@@H]2CCCO2)cs1 ZINC000182272655 1118018452 /nfs/dbraw/zinc/01/84/52/1118018452.db2.gz FKVNDWOIGSIZFG-KGLIPLIRSA-N 0 1 282.453 3.533 20 0 CHADMN Oc1ccc2c(c1)C[N@@H+]([C@H]1C=CCCCCC1)CC2 ZINC000579499356 1128750167 /nfs/dbraw/zinc/75/01/67/1128750167.db2.gz MSVIAIHZOZTNJR-INIZCTEOSA-N 0 1 257.377 3.639 20 0 CHADMN CCN(Cc1noc(-c2ccccc2)n1)C1CCCC1 ZINC000047966808 1118022364 /nfs/dbraw/zinc/02/23/64/1118022364.db2.gz BXUWVFGZJQZCJL-UHFFFAOYSA-N 0 1 271.364 3.501 20 0 CHADMN C[C@H](NCc1ccc(F)c(F)c1)c1ccccc1F ZINC000037493841 1118023098 /nfs/dbraw/zinc/02/30/98/1118023098.db2.gz VSWQKXVMHIOAIY-JTQLQIEISA-N 0 1 265.278 3.955 20 0 CHADMN Cc1ccnc(CN[C@@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000328110847 1118024757 /nfs/dbraw/zinc/02/47/57/1118024757.db2.gz NZNSCEDCAHJUDR-LBPRGKRZSA-N 0 1 292.329 3.842 20 0 CHADMN Cc1ccc([C@H]2COCCN2C[C@@H](C)c2ccccc2)o1 ZINC000116895051 1118027009 /nfs/dbraw/zinc/02/70/09/1118027009.db2.gz QNUKDMNEIVERMV-RHSMWYFYSA-N 0 1 285.387 3.765 20 0 CHADMN CC(C)OCCN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000533536698 1118029096 /nfs/dbraw/zinc/02/90/96/1118029096.db2.gz ZYMUNLCFNGGOPJ-MRXNPFEDSA-N 0 1 283.362 3.917 20 0 CHADMN CC(C)CC[C@@H](NCc1ccc[nH]c1=O)c1ccoc1 ZINC000624259280 1118032074 /nfs/dbraw/zinc/03/20/74/1118032074.db2.gz HNYDBFJQCDMSDM-OAHLLOKOSA-N 0 1 274.364 3.647 20 0 CHADMN CC[C@H]1CCC[C@H](CN(C)Cc2cc(C)on2)C1 ZINC000182999690 1118034657 /nfs/dbraw/zinc/03/46/57/1118034657.db2.gz VLVHUTHXGAOFFO-KBPBESRZSA-N 0 1 250.386 3.631 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C[N@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000183028778 1118036201 /nfs/dbraw/zinc/03/62/01/1118036201.db2.gz ZLVGOILJKOHHEY-RBSFLKMASA-N 0 1 261.413 3.763 20 0 CHADMN CC[C@@](C)(NC[C@H]1CCCCN1C(C)C)C(F)(F)F ZINC000579555089 1128751459 /nfs/dbraw/zinc/75/14/59/1128751459.db2.gz WESOZMYHBBZKKE-CHWSQXEVSA-N 0 1 280.378 3.570 20 0 CHADMN C[C@@H](CC(=O)OC(C)(C)C)N[C@@H](C)c1cccc(F)c1F ZINC000183294688 1118041082 /nfs/dbraw/zinc/04/10/82/1118041082.db2.gz NBEXBWUKBGXJEN-QWRGUYRKSA-N 0 1 299.361 3.736 20 0 CHADMN Cc1cccc(CNCc2cccc(C(F)(F)F)c2)n1 ZINC000048329626 1118041396 /nfs/dbraw/zinc/04/13/96/1118041396.db2.gz GORQQUIRLHOVDO-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN C(Sc1nc(C2CC2)n[nH]1)C1CCCCCC1 ZINC000183654983 1118046737 /nfs/dbraw/zinc/04/67/37/1118046737.db2.gz ZHRQQSQJGCKMTB-UHFFFAOYSA-N 0 1 251.399 3.745 20 0 CHADMN C(Sc1n[nH]c(C2CC2)n1)C1CCCCCC1 ZINC000183654983 1118046741 /nfs/dbraw/zinc/04/67/41/1118046741.db2.gz ZHRQQSQJGCKMTB-UHFFFAOYSA-N 0 1 251.399 3.745 20 0 CHADMN CCCC[C@@H](CC)CN(C)Cc1nccn1C(F)F ZINC000183596602 1118046891 /nfs/dbraw/zinc/04/68/91/1118046891.db2.gz QQKRPWVTKOQQPJ-GFCCVEGCSA-N 0 1 273.371 3.926 20 0 CHADMN Cc1oc2ccccc2c1CN(C)Cc1cccnc1 ZINC000183658472 1118047381 /nfs/dbraw/zinc/04/73/81/1118047381.db2.gz UPSTUHDWROZWMQ-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN CC(C)CCc1nc(CN[C@H](CCO)C(C)(C)C)cs1 ZINC000183656505 1118047725 /nfs/dbraw/zinc/04/77/25/1118047725.db2.gz ADVLXONKAFJAJU-CQSZACIVSA-N 0 1 298.496 3.618 20 0 CHADMN CC[C@@H](NCCOc1cccc(F)c1)c1nc(C)cs1 ZINC000184415672 1118054825 /nfs/dbraw/zinc/05/48/25/1118054825.db2.gz JBGZSQRWPIVZNB-CQSZACIVSA-N 0 1 294.395 3.710 20 0 CHADMN CCCC[C@@H](NCc1nc([C@@H](C)OCC)no1)C1CCC1 ZINC000184869235 1118057701 /nfs/dbraw/zinc/05/77/01/1118057701.db2.gz UCLBVOLOLSVFDU-TZMCWYRMSA-N 0 1 295.427 3.616 20 0 CHADMN CCCC[C@H](NCc1ncn(-c2ccccc2)n1)C1CCC1 ZINC000184887742 1118058334 /nfs/dbraw/zinc/05/83/34/1118058334.db2.gz OWBPOQPUPXVMRB-KRWDZBQOSA-N 0 1 298.434 3.716 20 0 CHADMN CCCC[C@H](N[C@H](C)c1nc(C2CC2)no1)C1CCC1 ZINC000184868573 1118058415 /nfs/dbraw/zinc/05/84/15/1118058415.db2.gz PGKRNEVUXQJNCL-RISCZKNCSA-N 0 1 277.412 3.957 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)CCO[C@@H]1CCCCO1 ZINC000185192491 1118061124 /nfs/dbraw/zinc/06/11/24/1118061124.db2.gz WOYFFKXXJADKLX-CZUORRHYSA-N 0 1 297.826 3.876 20 0 CHADMN CCC(CC)Sc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000185450396 1118061574 /nfs/dbraw/zinc/06/15/74/1118061574.db2.gz HXJUSDVSSFLJCF-UHFFFAOYSA-N 0 1 277.393 3.761 20 0 CHADMN Fc1cccc(CN[C@H](c2cccnc2)C2CC2)c1F ZINC000340109010 1118068245 /nfs/dbraw/zinc/06/82/45/1118068245.db2.gz NEORSOLIMPRCAZ-INIZCTEOSA-N 0 1 274.314 3.601 20 0 CHADMN CC[C@@H](C(=O)O[C@@H](C)c1ccc(F)c(F)c1)N(CC)CC ZINC000764344134 1118085701 /nfs/dbraw/zinc/08/57/01/1118085701.db2.gz DUAUQMCGIQYJOJ-NHYWBVRUSA-N 0 1 299.361 3.689 20 0 CHADMN CC=C(C=CC(=O)Nc1ccc2nc(C)[nH]c2c1)CC ZINC000764413802 1118090993 /nfs/dbraw/zinc/09/09/93/1118090993.db2.gz LMHYYUJHFPELJB-IXOOULEFSA-N 0 1 269.348 3.722 20 0 CHADMN CCCN(CCCc1ccccc1Cl)CC(=O)OCC ZINC001167192651 1118091739 /nfs/dbraw/zinc/09/17/39/1118091739.db2.gz NHYMCNNERJTMIP-UHFFFAOYSA-N 0 1 297.826 3.548 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cccnc1Br ZINC001137799113 1118097098 /nfs/dbraw/zinc/09/70/98/1118097098.db2.gz HMDCDVHHPRKMNZ-GFCCVEGCSA-N 0 1 283.213 3.609 20 0 CHADMN CC[C@@H](C(=O)OCc1ccc(C(F)F)cc1)N(CC)CC ZINC000764551903 1118098337 /nfs/dbraw/zinc/09/83/37/1118098337.db2.gz RLJFJDNTRJBXAG-AWEZNQCLSA-N 0 1 299.361 3.788 20 0 CHADMN CN(C)c1ccccc1CNCc1ccc2ccccc2n1 ZINC000340176288 1118098724 /nfs/dbraw/zinc/09/87/24/1118098724.db2.gz LYQLAPYEEIFXTE-UHFFFAOYSA-N 0 1 291.398 3.591 20 0 CHADMN Fc1cc(F)c(Nc2ccc3nc[nH]c3c2)c(F)c1 ZINC001209847245 1118099404 /nfs/dbraw/zinc/09/94/04/1118099404.db2.gz ADMTWBQIKBASSH-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@@H](C)c1ccco1)CCC2 ZINC000764630154 1118103209 /nfs/dbraw/zinc/10/32/09/1118103209.db2.gz XNYQOFWQYLKXBE-GXSJLCMTSA-N 0 1 262.378 3.773 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cc(F)cc2F)c1cccnc1 ZINC000120956542 1118108754 /nfs/dbraw/zinc/10/87/54/1118108754.db2.gz TZYUOKIBNGUEQU-MGPLVRAMSA-N 0 1 274.314 3.698 20 0 CHADMN C[C@]1([NH2+]Cc2cccc([O-])c2Br)CC=CCC1 ZINC000398287856 1118116182 /nfs/dbraw/zinc/11/61/82/1118116182.db2.gz ZUQOQGJVKUGVSR-AWEZNQCLSA-N 0 1 296.208 3.743 20 0 CHADMN Cc1cc(N)ncc1Nc1c(F)cccc1C(F)(F)F ZINC001209965957 1118121576 /nfs/dbraw/zinc/12/15/76/1118121576.db2.gz KJQQWAAKJFIQDZ-UHFFFAOYSA-N 0 1 285.244 3.874 20 0 CHADMN Cc1nc2cc(C)c(Nc3cnc(N)cc3C)cc2s1 ZINC001209968860 1118122721 /nfs/dbraw/zinc/12/27/21/1118122721.db2.gz FXLKQRCMNIBBID-UHFFFAOYSA-N 0 1 284.388 3.942 20 0 CHADMN CCCN(CC(C)C)[C@@H](C(=O)OC)c1ccccc1C ZINC001167255678 1118122945 /nfs/dbraw/zinc/12/29/45/1118122945.db2.gz LEHPQPSUTIEJDF-MRXNPFEDSA-N 0 1 277.408 3.577 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1ccc(Cl)nc1 ZINC000765124928 1118136614 /nfs/dbraw/zinc/13/66/14/1118136614.db2.gz BWGDMGLAXKQVQY-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@H](NCCO[C@H]1CCCC[C@@H]1C)c1cccnc1Cl ZINC000765240698 1118140173 /nfs/dbraw/zinc/14/01/73/1118140173.db2.gz XOWAKOKUFXXSRM-YDHLFZDLSA-N 0 1 296.842 3.981 20 0 CHADMN C[C@H](NCCO[C@@H]1CCCC[C@@H]1C)c1cccnc1Cl ZINC000765240696 1118140293 /nfs/dbraw/zinc/14/02/93/1118140293.db2.gz XOWAKOKUFXXSRM-KCQAQPDRSA-N 0 1 296.842 3.981 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000144535913 1118142509 /nfs/dbraw/zinc/14/25/09/1118142509.db2.gz OOQBYPQAMKHKCP-KRWDZBQOSA-N 0 1 285.387 3.771 20 0 CHADMN C[C@H](NCc1ccc(F)c(F)c1)c1ccnc(Cl)c1 ZINC000765332507 1118145269 /nfs/dbraw/zinc/14/52/69/1118145269.db2.gz QCULMPLOURXWLM-VIFPVBQESA-N 0 1 282.721 3.864 20 0 CHADMN CC[C@@H](C(=O)Nc1ccc(SC(C)(C)C)cc1)N(C)C ZINC000765386628 1118148258 /nfs/dbraw/zinc/14/82/58/1118148258.db2.gz UDWQHEUXXKSNFD-AWEZNQCLSA-N 0 1 294.464 3.856 20 0 CHADMN C[C@@H](NCCCOC1CCCCC1)c1cscn1 ZINC000162332272 1118160421 /nfs/dbraw/zinc/16/04/21/1118160421.db2.gz GEZDHYWNOVJGGG-GFCCVEGCSA-N 0 1 268.426 3.533 20 0 CHADMN O=C(Nc1ccccc1)c1cn[nH]c1-c1ccc(Cl)cc1 ZINC000014205888 1118164444 /nfs/dbraw/zinc/16/44/44/1118164444.db2.gz NUOWLJORMPAVGE-UHFFFAOYSA-N 0 1 297.745 3.982 20 0 CHADMN Cc1c(NCc2[nH]nc3ccccc32)cnn1C1CCCC1 ZINC000683473019 1118164704 /nfs/dbraw/zinc/16/47/04/1118164704.db2.gz HTKAQQZDIROYLN-UHFFFAOYSA-N 0 1 295.390 3.795 20 0 CHADMN FC(F)[C@@H]1CCCCN1[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000639138130 1118174050 /nfs/dbraw/zinc/17/40/50/1118174050.db2.gz PKLMJTZNPDJGBT-STQMWFEESA-N 0 1 298.381 3.546 20 0 CHADMN CCc1ccc(CNCc2c(Cl)n[nH]c2C2CC2)s1 ZINC000921534743 1118174594 /nfs/dbraw/zinc/17/45/94/1118174594.db2.gz OVIUTYDEMTZQEN-UHFFFAOYSA-N 0 1 295.839 3.854 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2CCc3c2cc(F)cc3F)s1 ZINC000121453928 1118180792 /nfs/dbraw/zinc/18/07/92/1118180792.db2.gz NJXNDDAJLZVZCT-CQSZACIVSA-N 0 1 294.370 3.815 20 0 CHADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC(C)(C)CC1 ZINC001167291633 1118181075 /nfs/dbraw/zinc/18/10/75/1118181075.db2.gz SNORQQGEZPBDFS-LBPRGKRZSA-N 0 1 294.826 3.789 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)Cc2c(C)noc2C)c(C)s1 ZINC000676491740 1118182017 /nfs/dbraw/zinc/18/20/17/1118182017.db2.gz KHJHOKKAUYDASC-WPRPVWTQSA-N 0 1 293.436 3.647 20 0 CHADMN c1cn2c(n1)[C@H](NCc1csc3ccccc13)CCC2 ZINC000655696989 1118187521 /nfs/dbraw/zinc/18/75/21/1118187521.db2.gz GPWNAIGVBSAVJF-CQSZACIVSA-N 0 1 283.400 3.723 20 0 CHADMN c1cn2c(n1)[C@@H](NCc1cccc3ccccc31)CCC2 ZINC000655703872 1118188397 /nfs/dbraw/zinc/18/83/97/1118188397.db2.gz MHIDHJQTXVAJRS-KRWDZBQOSA-N 0 1 277.371 3.661 20 0 CHADMN c1cn2c(n1)[C@H](N[C@@H](CC1CC1)c1ccccc1)CCC2 ZINC000655744103 1118200018 /nfs/dbraw/zinc/20/00/18/1118200018.db2.gz WQFPEZMFGKXYNN-SJORKVTESA-N 0 1 281.403 3.849 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1NCc1cc2n(n1)CCCC2 ZINC000655753799 1118203655 /nfs/dbraw/zinc/20/36/55/1118203655.db2.gz FNEOKIXDVLZPPZ-AUUYWEPGSA-N 0 1 295.430 3.633 20 0 CHADMN C[C@@H]1CC[C@H](NCc2c(F)cc(F)c(F)c2F)CS1 ZINC000655761914 1118205427 /nfs/dbraw/zinc/20/54/27/1118205427.db2.gz QOMDTQJPMQQKMP-SFYZADRCSA-N 0 1 293.329 3.617 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2NCc1cnn(CC2CCC2)c1 ZINC000921613606 1118205609 /nfs/dbraw/zinc/20/56/09/1118205609.db2.gz KNUFUBJQJFYRPL-SFHVURJKSA-N 0 1 299.393 3.599 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCn3ccnc32)c2ccccc12 ZINC000655776632 1118207326 /nfs/dbraw/zinc/20/73/26/1118207326.db2.gz JTRUSTITKRKANR-GOSISDBHSA-N 0 1 291.398 3.969 20 0 CHADMN C[C@H]1CC[C@@](C)(C(=O)NCc2ccc3nc[nH]c3c2)C1(C)C ZINC000615794683 1128762794 /nfs/dbraw/zinc/76/27/94/1128762794.db2.gz PZFNVKSQQRBPBZ-SGTLLEGYSA-N 0 1 299.418 3.642 20 0 CHADMN COCC(C)(C)NCc1cc(-c2ccc(Cl)cc2)no1 ZINC000076494331 1118211041 /nfs/dbraw/zinc/21/10/41/1118211041.db2.gz VSNSDFMCVZEFSB-UHFFFAOYSA-N 0 1 294.782 3.510 20 0 CHADMN c1cc([C@H]2CCCCN2CCCOCc2ccccc2)n[nH]1 ZINC000375616746 1118212233 /nfs/dbraw/zinc/21/22/33/1118212233.db2.gz JEPXNBOJSDEEMI-GOSISDBHSA-N 0 1 299.418 3.544 20 0 CHADMN O=C(Nc1cc(F)cc(F)c1)c1cn[nH]c1-c1ccccc1 ZINC000071008250 1118215278 /nfs/dbraw/zinc/21/52/78/1118215278.db2.gz WQAGYTHSQUCNAW-UHFFFAOYSA-N 0 1 299.280 3.607 20 0 CHADMN COc1cccc([C@@H](C)NCc2cccc(C)c2OC)c1 ZINC000655810894 1118220166 /nfs/dbraw/zinc/22/01/66/1118220166.db2.gz ONWHGVPCHVXDGS-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN Clc1cccc(CN(Cc2ccccc2)C2CC2)n1 ZINC000075596583 1128763547 /nfs/dbraw/zinc/76/35/47/1128763547.db2.gz NATBVGYKRMSFJS-UHFFFAOYSA-N 0 1 272.779 3.900 20 0 CHADMN c1cn(-c2ccccc2)c(NCc2cc3ccccc3[nH]2)n1 ZINC000671673452 1118223877 /nfs/dbraw/zinc/22/38/77/1118223877.db2.gz CLDSPIHSYHQCDG-UHFFFAOYSA-N 0 1 288.354 3.966 20 0 CHADMN COc1c(C)cccc1CNCc1cc(F)cc(F)c1 ZINC000655833112 1118227568 /nfs/dbraw/zinc/22/75/68/1118227568.db2.gz JTHXWMIWSODDBM-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN COc1c(C)cccc1CNCc1csc(C)c1 ZINC000655833101 1118227882 /nfs/dbraw/zinc/22/78/82/1118227882.db2.gz JCVFMEDXWXNGPS-UHFFFAOYSA-N 0 1 261.390 3.663 20 0 CHADMN CCOCCN1Cc2ccccc2-c2ccccc2C1 ZINC000039616372 1118229191 /nfs/dbraw/zinc/22/91/91/1118229191.db2.gz OEEKEQRLDJERQA-UHFFFAOYSA-N 0 1 267.372 3.706 20 0 CHADMN C(=C/c1ccccc1)\CN1CCC(Oc2ccccn2)CC1 ZINC000039307693 1118229471 /nfs/dbraw/zinc/22/94/71/1118229471.db2.gz ANTBYQJCXVDCCK-RMKNXTFCSA-N 0 1 294.398 3.638 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1cnn(C2CCC2)c1 ZINC000921622163 1118231433 /nfs/dbraw/zinc/23/14/33/1118231433.db2.gz RHGFJIUHYAKHCF-AWEZNQCLSA-N 0 1 299.418 3.858 20 0 CHADMN CC[C@H](C)N(C)Cc1csc(Cc2ccccc2)n1 ZINC000104686038 1118236488 /nfs/dbraw/zinc/23/64/88/1118236488.db2.gz LRZZGMJGLFGTJU-ZDUSSCGKSA-N 0 1 274.433 3.964 20 0 CHADMN CCCc1nc(CN2C[C@H](C)C[C@H](C)C2)cs1 ZINC000042651829 1118237691 /nfs/dbraw/zinc/23/76/91/1118237691.db2.gz FSQLUSCAFZLSIW-TXEJJXNPSA-N 0 1 252.427 3.574 20 0 CHADMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cscn1 ZINC000172329382 1118239112 /nfs/dbraw/zinc/23/91/12/1118239112.db2.gz MXOMOONCPOHQFU-WCQYABFASA-N 0 1 276.380 3.660 20 0 CHADMN Cc1ncc(CNC2(c3ccc(Cl)cc3)CCC2)cn1 ZINC000340430327 1118239552 /nfs/dbraw/zinc/23/95/52/1118239552.db2.gz FSBBJFVFTXYJNK-UHFFFAOYSA-N 0 1 287.794 3.607 20 0 CHADMN CCCCC[C@@H](C)NCc1csc(N(CC)C(C)=O)n1 ZINC000035040293 1118242461 /nfs/dbraw/zinc/24/24/61/1118242461.db2.gz XQVRBGWCRKQGJK-GFCCVEGCSA-N 0 1 297.468 3.574 20 0 CHADMN CCn1c(C)cc(C(=O)Nc2cccc(Cl)c2O)c1C ZINC000172357870 1118243790 /nfs/dbraw/zinc/24/37/90/1118243790.db2.gz GPWSVDHNGYJVEW-UHFFFAOYSA-N 0 1 292.766 3.736 20 0 CHADMN C[C@H](NCc1ccccn1)c1cccc(N2CCCC2)c1 ZINC000088764279 1118246656 /nfs/dbraw/zinc/24/66/56/1118246656.db2.gz MJBOSLJEDBVBMX-HNNXBMFYSA-N 0 1 281.403 3.533 20 0 CHADMN Cc1ncc(C(=O)N2CCC[C@H]2c2ccc(C(C)C)cc2)[nH]1 ZINC000340438170 1118246827 /nfs/dbraw/zinc/24/68/27/1118246827.db2.gz AEEIDVKJPNGEHY-KRWDZBQOSA-N 0 1 297.402 3.819 20 0 CHADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C1CCC1 ZINC000615812158 1128765050 /nfs/dbraw/zinc/76/50/50/1128765050.db2.gz GAOPQTCPXVQCNN-VIFPVBQESA-N 0 1 291.782 3.536 20 0 CHADMN CCCCN(C)Cc1coc(-c2ccc(C)cc2)n1 ZINC000043562959 1118247082 /nfs/dbraw/zinc/24/70/82/1118247082.db2.gz YQBGIRIKGVRKNR-UHFFFAOYSA-N 0 1 258.365 3.882 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000340441655 1118251715 /nfs/dbraw/zinc/25/17/15/1118251715.db2.gz HBJGRPMLWHCKRY-BTDLBPIBSA-N 0 1 288.366 3.708 20 0 CHADMN CCC[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1CCCCN1CC ZINC001648847332 1118252816 /nfs/dbraw/zinc/25/28/16/1118252816.db2.gz PEVWLDHYJRJQQB-BRWVUGGUSA-N 0 1 294.483 3.584 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](C)c2sc(C)nc2C)ccn1 ZINC000348638091 1118273602 /nfs/dbraw/zinc/27/36/02/1118273602.db2.gz DGCYEIAXIKRUIL-ZJUUUORDSA-N 0 1 291.420 3.575 20 0 CHADMN Cn1nc(CN[C@H]2CCCc3sccc32)c2ccccc21 ZINC000089174379 1118274907 /nfs/dbraw/zinc/27/49/07/1118274907.db2.gz KAPCPABFGYNPPA-AWEZNQCLSA-N 0 1 297.427 3.802 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)NCc2ccc(F)nc2)c1 ZINC000188992110 1128767028 /nfs/dbraw/zinc/76/70/28/1128767028.db2.gz IFTAIZAQNRZEHH-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN CC(C)(C)c1nc(CNCCc2ccccc2F)cs1 ZINC000077169532 1118283636 /nfs/dbraw/zinc/28/36/36/1118283636.db2.gz RIZYNZMQMKQBKY-UHFFFAOYSA-N 0 1 292.423 3.912 20 0 CHADMN Cc1occc1CN[C@@H]1CCCNc2ccccc21 ZINC000683690150 1118284473 /nfs/dbraw/zinc/28/44/73/1118284473.db2.gz DUBFDERWNAFUCZ-MRXNPFEDSA-N 0 1 256.349 3.625 20 0 CHADMN Cc1cc([C@H](C)Nc2cnn(-c3ccncc3)c2)c(C)o1 ZINC000683692653 1118288313 /nfs/dbraw/zinc/28/83/13/1118288313.db2.gz KDVZUBRKNPSVKL-LBPRGKRZSA-N 0 1 282.347 3.650 20 0 CHADMN C[C@@H]1COCCCN1CCCc1c(F)cccc1Cl ZINC000683699785 1118293849 /nfs/dbraw/zinc/29/38/49/1118293849.db2.gz QNTWMNOBYBENFY-GFCCVEGCSA-N 0 1 285.790 3.523 20 0 CHADMN CC[C@H]1CCCCN1Cc1nc(C)c2ccccc2n1 ZINC000107895822 1118294280 /nfs/dbraw/zinc/29/42/80/1118294280.db2.gz MGDJGQHBCDNPQX-AWEZNQCLSA-N 0 1 269.392 3.703 20 0 CHADMN C[C@H]1CCCC[C@H]1OCCN1CCc2sccc2C1 ZINC000058933295 1118295049 /nfs/dbraw/zinc/29/50/49/1118295049.db2.gz HWBGGBQOZABVQV-DZGCQCFKSA-N 0 1 279.449 3.702 20 0 CHADMN Cn1nc(CNCc2ccc3occc3c2)c2ccccc21 ZINC000671718403 1118295722 /nfs/dbraw/zinc/29/57/22/1118295722.db2.gz RPKRRSQZLPEBIU-UHFFFAOYSA-N 0 1 291.354 3.609 20 0 CHADMN CC1(CNc2ccccc2CN2CCSCC2)CCC1 ZINC000683701314 1118295974 /nfs/dbraw/zinc/29/59/74/1118295974.db2.gz NPUXTDMDQKRASR-UHFFFAOYSA-N 0 1 290.476 3.838 20 0 CHADMN CCCCc1nc2ccc(NC(=O)c3ccccn3)cc2[nH]1 ZINC000060059371 1118296425 /nfs/dbraw/zinc/29/64/25/1118296425.db2.gz DUDFMCYDAWSWLK-UHFFFAOYSA-N 0 1 294.358 3.553 20 0 CHADMN CSc1ccc(CN[C@@H]2COCc3ccccc32)cc1 ZINC000340500392 1118307971 /nfs/dbraw/zinc/30/79/71/1118307971.db2.gz GKJWAZNENQPTBH-QGZVFWFLSA-N 0 1 285.412 3.770 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2c(F)cc(F)cc2F)C12CCC2 ZINC000340499765 1118308109 /nfs/dbraw/zinc/30/81/09/1118308109.db2.gz REKTUWPZXGOWMW-CABCVRRESA-N 0 1 299.336 3.541 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nc(-c2cccs2)no1 ZINC000061757128 1118308055 /nfs/dbraw/zinc/30/80/55/1118308055.db2.gz ATPAZUIDFPRYQJ-LLVKDONJSA-N 0 1 277.393 3.563 20 0 CHADMN COc1ccccc1CN(C)Cc1cc(C)cc(C)c1 ZINC000061760709 1118308785 /nfs/dbraw/zinc/30/87/85/1118308785.db2.gz YNPSRKOSUWXGQJ-UHFFFAOYSA-N 0 1 269.388 3.944 20 0 CHADMN Fc1cccc(C2CCN(CC3(F)CC3)CC2)c1F ZINC000580024308 1118309144 /nfs/dbraw/zinc/30/91/44/1118309144.db2.gz YEOIGLYZDAJOOB-UHFFFAOYSA-N 0 1 269.310 3.646 20 0 CHADMN c1nn(-c2ccncc2)cc1NCc1cc2ccccc2o1 ZINC001649070661 1118312109 /nfs/dbraw/zinc/31/21/09/1118312109.db2.gz HMYQNLOWKUBUGK-UHFFFAOYSA-N 0 1 290.326 3.626 20 0 CHADMN CN(Cc1ccccc1O)Cc1cc(F)ccc1Cl ZINC000189187762 1128769197 /nfs/dbraw/zinc/76/91/97/1128769197.db2.gz MLEHQKCMYXPWKY-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN Cc1noc([C@H](C)N2CC[C@](C)(CCc3ccccc3)C2)n1 ZINC000674376042 1118314440 /nfs/dbraw/zinc/31/44/40/1118314440.db2.gz WBHJAIZSPLNOJU-KSSFIOAISA-N 0 1 299.418 3.784 20 0 CHADMN Cc1cccc(NC(=O)[C@H](C)N2CCC3(CCC3)CC2)c1 ZINC000671728151 1118315572 /nfs/dbraw/zinc/31/55/72/1118315572.db2.gz NOWYJAZNDSFDKF-HNNXBMFYSA-N 0 1 286.419 3.588 20 0 CHADMN CC[C@H](N[C@@H]1CCC[C@H]1F)c1cc(C)ccc1OC ZINC000340528840 1118318512 /nfs/dbraw/zinc/31/85/12/1118318512.db2.gz ZNWNPZQJKLTKHS-QLFBSQMISA-N 0 1 265.372 3.935 20 0 CHADMN Fc1ccc2nc(-c3csc(C4CC4)n3)[nH]c2c1 ZINC000063640463 1118319404 /nfs/dbraw/zinc/31/94/04/1118319404.db2.gz WFURXXIFBDHEAE-UHFFFAOYSA-N 0 1 259.309 3.703 20 0 CHADMN CCc1ccc([C@@H]2CCCN([C@@H](C)c3nc(C)no3)C2)cc1 ZINC000671732818 1118321634 /nfs/dbraw/zinc/32/16/34/1118321634.db2.gz LANMDBCMAQGNHF-SUMWQHHRSA-N 0 1 299.418 3.881 20 0 CHADMN CCc1nc(SCc2csc(C3CCCC3)n2)n[nH]1 ZINC000064032297 1118323151 /nfs/dbraw/zinc/32/31/51/1118323151.db2.gz LWUZVWUAHPZCLM-UHFFFAOYSA-N 0 1 294.449 3.774 20 0 CHADMN CC(C)[C@@H](NCc1cn2ccsc2n1)c1ccccc1 ZINC000064344825 1118325539 /nfs/dbraw/zinc/32/55/39/1118325539.db2.gz FUCBZOYZQJPZPZ-OAHLLOKOSA-N 0 1 285.416 3.883 20 0 CHADMN CC1(C)C[C@H](NCCF)c2cc(Br)ccc21 ZINC000309754899 1118371535 /nfs/dbraw/zinc/37/15/35/1118371535.db2.gz HJHITSBGAGVJBS-LBPRGKRZSA-N 0 1 286.188 3.731 20 0 CHADMN CCN(Cc1ccc(F)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000189299736 1128770678 /nfs/dbraw/zinc/77/06/78/1128770678.db2.gz FDPJVQLTYXDSPG-ZDUSSCGKSA-N 0 1 283.350 3.675 20 0 CHADMN CCCCC(=O)Nc1nc(-c2cccc3ccccc32)n[nH]1 ZINC000065514966 1118334798 /nfs/dbraw/zinc/33/47/98/1118334798.db2.gz PVLHBDWPDZIIAO-UHFFFAOYSA-N 0 1 294.358 3.754 20 0 CHADMN Cc1occc1CN(C)CCO[C@@H]1CCCC[C@@H]1C ZINC000065603228 1118335160 /nfs/dbraw/zinc/33/51/60/1118335160.db2.gz CMZZRYRQEGFXBU-XJKSGUPXSA-N 0 1 265.397 3.615 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000340540369 1118338152 /nfs/dbraw/zinc/33/81/52/1118338152.db2.gz WKVOXNGOBRGXTQ-QWRGUYRKSA-N 0 1 261.394 3.543 20 0 CHADMN CCCC[C@H](C)[C@H](C)NCc1ncn(-c2ccccc2)n1 ZINC000340540570 1118338261 /nfs/dbraw/zinc/33/82/61/1118338261.db2.gz GYGDVBMIDVJGSK-GJZGRUSLSA-N 0 1 286.423 3.572 20 0 CHADMN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1c1noc([C@H]2CC[N@@H+](C)C2)n1 ZINC000656056120 1118344337 /nfs/dbraw/zinc/34/43/37/1118344337.db2.gz ZYKBOMLVPRYZNY-BARDWOONSA-N 0 1 291.439 3.665 20 0 CHADMN Fc1ccccc1CNCc1coc2ccccc12 ZINC000083601955 1118357234 /nfs/dbraw/zinc/35/72/34/1118357234.db2.gz FOEHIXBMKQJKDT-UHFFFAOYSA-N 0 1 255.292 3.862 20 0 CHADMN Cc1cc(C)cc(CN2CCC(=O)[C@@H]3CCCC[C@H]32)c1 ZINC001204517942 1118360349 /nfs/dbraw/zinc/36/03/49/1118360349.db2.gz HCMIGJZBSPQVLG-IAGOWNOFSA-N 0 1 271.404 3.637 20 0 CHADMN CC1CCC(N(C(=O)c2cccc3c[nH]nc32)C2CC2)CC1 ZINC000068258759 1118360905 /nfs/dbraw/zinc/36/09/05/1118360905.db2.gz RYPZXRHNGKSDIK-UHFFFAOYSA-N 0 1 297.402 3.746 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)N(C)CC(C)C)n2)cc1F ZINC000068335013 1118361058 /nfs/dbraw/zinc/36/10/58/1118361058.db2.gz NQCXIRUNXGTLOV-LBPRGKRZSA-N 0 1 291.370 3.833 20 0 CHADMN CCC1(c2noc(-c3cc4cccnc4[nH]3)n2)CCCC1 ZINC000580056283 1118370156 /nfs/dbraw/zinc/37/01/56/1118370156.db2.gz KQPSKRVHMHRJMY-UHFFFAOYSA-N 0 1 282.347 3.835 20 0 CHADMN Clc1ccc(CN(Cc2cccnc2)C2CC2)cc1 ZINC000071121714 1118372764 /nfs/dbraw/zinc/37/27/64/1118372764.db2.gz UISZYZADRGBJPO-UHFFFAOYSA-N 0 1 272.779 3.900 20 0 CHADMN Cc1ccc(CN(Cc2ccccn2)C2CC2)cc1 ZINC000071114400 1118373029 /nfs/dbraw/zinc/37/30/29/1118373029.db2.gz DEKLZVPOCMUNSL-UHFFFAOYSA-N 0 1 252.361 3.555 20 0 CHADMN Cc1cccc2nc(-c3ccc4c(c3)COC4)[nH]c21 ZINC000084436653 1118378514 /nfs/dbraw/zinc/37/85/14/1118378514.db2.gz AZSIOYKTHWBZGK-UHFFFAOYSA-N 0 1 250.301 3.569 20 0 CHADMN C[N@@H+](Cc1ccn(-c2cccc(F)c2)n1)C1(C)CCCC1 ZINC000683804682 1118379245 /nfs/dbraw/zinc/37/92/45/1118379245.db2.gz BWMPISCDOUHHEO-UHFFFAOYSA-N 0 1 287.382 3.776 20 0 CHADMN CC=C(C)Nc1c(OC)cccc1C(=O)C(F)(F)F ZINC001210797348 1118393001 /nfs/dbraw/zinc/39/30/01/1118393001.db2.gz HWACPHVDEAANKE-XBXARRHUSA-N 0 1 273.254 3.776 20 0 CHADMN CCCOc1ccc(CN[C@@H](COC)c2ccccc2)cc1 ZINC000113355466 1118402757 /nfs/dbraw/zinc/40/27/57/1118402757.db2.gz ZRQIEGLHAXTKTL-IBGZPJMESA-N 0 1 299.414 3.953 20 0 CHADMN CCCn1nccc1Nc1ccnc(C(C)(C)C)c1 ZINC001210914394 1118420266 /nfs/dbraw/zinc/42/02/66/1118420266.db2.gz BKKVTSHPGCNTQQ-UHFFFAOYSA-N 0 1 258.369 3.729 20 0 CHADMN CCCCC[C@H](NC)c1nc(-c2ccccc2)no1 ZINC001212278864 1128776710 /nfs/dbraw/zinc/77/67/10/1128776710.db2.gz AVDXZGWJMRJKCB-ZDUSSCGKSA-N 0 1 259.353 3.577 20 0 CHADMN CCCc1ccc(C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000580336463 1118425822 /nfs/dbraw/zinc/42/58/22/1118425822.db2.gz OFNIFYKKBIPWLW-INIZCTEOSA-N 0 1 277.408 3.570 20 0 CHADMN Cc1cc(CN(C)CCC(=O)c2ccccc2)oc1C ZINC001204533913 1118426120 /nfs/dbraw/zinc/42/61/20/1118426120.db2.gz UGOMUBMVQCVADG-UHFFFAOYSA-N 0 1 271.360 3.601 20 0 CHADMN COc1cccc(CN(C)Cc2cc(C)c(C)o2)c1 ZINC001204534630 1118431569 /nfs/dbraw/zinc/43/15/69/1118431569.db2.gz KHXCJHCKAYFXMG-UHFFFAOYSA-N 0 1 259.349 3.537 20 0 CHADMN CC[C@@H](C)c1cccc(NC(=O)NCc2cn[nH]c2C)c1 ZINC000626649966 1128778278 /nfs/dbraw/zinc/77/82/78/1128778278.db2.gz QZUPDRKBKIDAPZ-LLVKDONJSA-N 0 1 286.379 3.553 20 0 CHADMN CCCOc1ccc(C[N@@H+](C)Cc2ccc(O)cc2)cc1 ZINC000580417024 1118450825 /nfs/dbraw/zinc/45/08/25/1118450825.db2.gz OXBCSFRAHXNKIF-UHFFFAOYSA-N 0 1 285.387 3.813 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(Cl)cc2)nc1 ZINC000126935569 1118458621 /nfs/dbraw/zinc/45/86/21/1118458621.db2.gz HTMHUIVRDLDGSG-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN CC[C@@](C)(NCc1ncccc1C)c1ccc(F)cc1 ZINC000639359943 1118460026 /nfs/dbraw/zinc/46/00/26/1118460026.db2.gz RFNTZAGRZUVUSR-QGZVFWFLSA-N 0 1 272.367 3.944 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CCC[C@](C)(OC)C1 ZINC001657972151 1118461398 /nfs/dbraw/zinc/46/13/98/1118461398.db2.gz JHIYEXKDNPRNSC-INIZCTEOSA-N 0 1 297.826 3.740 20 0 CHADMN CC[C@H](C)[C@H](N[C@@H](C)C1CCCCCC1)C(=O)OC ZINC001658195343 1118462998 /nfs/dbraw/zinc/46/29/98/1118462998.db2.gz ZNLIADGXPKQXNT-YDHLFZDLSA-N 0 1 269.429 3.523 20 0 CHADMN CSc1ccc(-n2c(N)nc3ccc(C)cc32)cc1F ZINC001211108990 1118465202 /nfs/dbraw/zinc/46/52/02/1118465202.db2.gz SNDXNQXQPTWEFO-UHFFFAOYSA-N 0 1 287.363 3.777 20 0 CHADMN CCc1cc(CNCc2ccc(Cl)c(Cl)c2)[nH]n1 ZINC000074373259 1118470493 /nfs/dbraw/zinc/47/04/93/1118470493.db2.gz FJTDVEODLFRVEF-UHFFFAOYSA-N 0 1 284.190 3.569 20 0 CHADMN CCc1cc(CNCc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000074373259 1118470495 /nfs/dbraw/zinc/47/04/95/1118470495.db2.gz FJTDVEODLFRVEF-UHFFFAOYSA-N 0 1 284.190 3.569 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Br)cc2)C[C@H]1C ZINC000253069485 1118471143 /nfs/dbraw/zinc/47/11/43/1118471143.db2.gz LQOVUYYBAPECSG-VXGBXAGGSA-N 0 1 282.225 3.927 20 0 CHADMN CC[C@H]1COCCN1Cc1ccc(C(C)(C)CC)cc1 ZINC001167421390 1118483290 /nfs/dbraw/zinc/48/32/90/1118483290.db2.gz SCILCIKOOJMRLR-KRWDZBQOSA-N 0 1 275.436 3.985 20 0 CHADMN Cn1cncc1Nc1ccc(Sc2ccc(N)cc2)cc1 ZINC001211250211 1118487404 /nfs/dbraw/zinc/48/74/04/1118487404.db2.gz IWXCHDQWGVTCOD-UHFFFAOYSA-N 0 1 296.399 3.897 20 0 CHADMN Cn1cncc1Nc1ccc(C(F)(F)F)cc1Cl ZINC001211249616 1118487721 /nfs/dbraw/zinc/48/77/21/1118487721.db2.gz WEKMHCABIFMXBS-UHFFFAOYSA-N 0 1 275.661 3.836 20 0 CHADMN CC[C@H](C)[C@@H](CNCc1c(Cl)ccnc1Cl)OC ZINC001659834689 1118489135 /nfs/dbraw/zinc/48/91/35/1118489135.db2.gz FVGAFIACLRFBBI-JOYOIKCWSA-N 0 1 291.222 3.539 20 0 CHADMN c1c[nH]c([C@@H]2CCCN2Cc2cc3ccccc3[nH]2)c1 ZINC000684019176 1118489214 /nfs/dbraw/zinc/48/92/14/1118489214.db2.gz NCOMJBCVLMYTKB-KRWDZBQOSA-N 0 1 265.360 3.833 20 0 CHADMN CCC1CCN(Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000352384431 1118498306 /nfs/dbraw/zinc/49/83/06/1118498306.db2.gz VGTYDYUKCKATCF-CQSZACIVSA-N 0 1 280.437 3.617 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2c(C)cc(C)nc2C)on1 ZINC000639453484 1118507925 /nfs/dbraw/zinc/50/79/25/1118507925.db2.gz ICFPZEQXGGLQES-MRXNPFEDSA-N 0 1 285.391 3.640 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](C)c2ccc3c(c2)OCO3)o1 ZINC000127339830 1118519096 /nfs/dbraw/zinc/51/90/96/1118519096.db2.gz FGCISQIBNYIYNE-NEPJUHHUSA-N 0 1 287.359 3.983 20 0 CHADMN CC1(C)CCc2onc(CN3CCC[C@@H]4CCC[C@H]43)c2C1 ZINC001167438961 1118522157 /nfs/dbraw/zinc/52/21/57/1118522157.db2.gz RPJLCOOUZXPJMV-XJKSGUPXSA-N 0 1 288.435 3.954 20 0 CHADMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000238068826 1128783195 /nfs/dbraw/zinc/78/31/95/1128783195.db2.gz CTBMPDXKTSEEIM-CJNGLKHVSA-N 0 1 287.790 3.939 20 0 CHADMN C[C@@H]1C[C@H]1CC(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000580923998 1118523087 /nfs/dbraw/zinc/52/30/87/1118523087.db2.gz QAKKDTZFGZYEOM-SFYZADRCSA-N 0 1 297.280 3.566 20 0 CHADMN CCCC[C@@H](C)[N@@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000352413900 1118538619 /nfs/dbraw/zinc/53/86/19/1118538619.db2.gz CQWFKKKVXJRRBE-GFCCVEGCSA-N 0 1 290.436 3.611 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1csc(-c2ncccn2)n1 ZINC000352413900 1118538622 /nfs/dbraw/zinc/53/86/22/1118538622.db2.gz CQWFKKKVXJRRBE-GFCCVEGCSA-N 0 1 290.436 3.611 20 0 CHADMN Cl/C=C\CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000255276136 1118542830 /nfs/dbraw/zinc/54/28/30/1118542830.db2.gz BVIMBOCVEHBRHQ-HXUAIIEXSA-N 0 1 276.767 3.760 20 0 CHADMN Cc1ccc(-c2nc([C@@H]3CCCN3)no2)c2ccccc12 ZINC000647143977 1118545761 /nfs/dbraw/zinc/54/57/61/1118545761.db2.gz HYPJPIXKPNYIAJ-HNNXBMFYSA-N 0 1 279.343 3.623 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cncn1C(C)C ZINC000644901231 1118552438 /nfs/dbraw/zinc/55/24/38/1118552438.db2.gz OXBBWNRHRBPVTG-SFHVURJKSA-N 0 1 283.419 3.973 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1ccsc1)c1cccc(OC)c1 ZINC000349378634 1118555505 /nfs/dbraw/zinc/55/55/05/1118555505.db2.gz LPNJHJCHBYVUMF-CVEARBPZSA-N 0 1 291.416 3.531 20 0 CHADMN CCn1c(CNCc2cc(C)cc(C)c2)nc2ccccc21 ZINC000071114230 1118558025 /nfs/dbraw/zinc/55/80/25/1118558025.db2.gz FDDPQXUIDMFJIG-UHFFFAOYSA-N 0 1 293.414 3.963 20 0 CHADMN C[C@H](c1ccc2c(c1)CCC2)N1CC2(C1)CC(F)(F)C2 ZINC000656482785 1118563298 /nfs/dbraw/zinc/56/32/98/1118563298.db2.gz HBQONDSQQXOGJN-GFCCVEGCSA-N 0 1 277.358 3.967 20 0 CHADMN Cc1cc2[nH]c([C@@H]3CCC(F)(F)C3)nc(=O)c2s1 ZINC000656492042 1118565249 /nfs/dbraw/zinc/56/52/49/1118565249.db2.gz ULHFEBWYNQWOMF-SSDOTTSWSA-N 0 1 270.304 3.608 20 0 CHADMN CCn1nncc1CN[C@@H](c1cc2ccccc2o1)C(C)C ZINC000656492959 1118565502 /nfs/dbraw/zinc/56/55/02/1118565502.db2.gz UDKCGOLKUHZHPA-QGZVFWFLSA-N 0 1 298.390 3.531 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)Cc2ccc(O)cc2)o1 ZINC000349404111 1118574157 /nfs/dbraw/zinc/57/41/57/1118574157.db2.gz DYEKCQAGCFMHCF-BLLLJJGKSA-N 0 1 271.360 3.741 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN(C)Cc2ccc(O)cc2)o1 ZINC000349404111 1118574160 /nfs/dbraw/zinc/57/41/60/1118574160.db2.gz DYEKCQAGCFMHCF-BLLLJJGKSA-N 0 1 271.360 3.741 20 0 CHADMN c1c[nH]c(CN(Cc2ccccc2)C2CCCCC2)n1 ZINC000109831824 1118583965 /nfs/dbraw/zinc/58/39/65/1118583965.db2.gz IHVRRQPTHAAOAI-UHFFFAOYSA-N 0 1 269.392 3.745 20 0 CHADMN Cl/C=C\CNC1(c2ccc(Br)cc2)CC1 ZINC000255388256 1118584885 /nfs/dbraw/zinc/58/48/85/1118584885.db2.gz CNBVMFQUCKQSID-QPIMQUGISA-N 0 1 286.600 3.780 20 0 CHADMN Cc1cnc(CN[C@@H](CC(C)C)c2cccs2)n1C ZINC000341013839 1118584901 /nfs/dbraw/zinc/58/49/01/1118584901.db2.gz QBKIKIXSZJYQNT-ZDUSSCGKSA-N 0 1 277.437 3.667 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(Cl)cn2)cc1 ZINC000182113660 1118587154 /nfs/dbraw/zinc/58/71/54/1118587154.db2.gz IZVMZILALQOKQD-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN Cc1ccnc(CN2CCCC[C@H]2CCc2ccccc2)n1 ZINC000341054334 1118599210 /nfs/dbraw/zinc/59/92/10/1118599210.db2.gz VPFHUBAXJGWYDO-SFHVURJKSA-N 0 1 295.430 3.772 20 0 CHADMN COc1ccc(CNC2(c3ccccc3F)CC2)cc1C ZINC000076767002 1128788491 /nfs/dbraw/zinc/78/84/91/1128788491.db2.gz GWMKPJSKYNRMBQ-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2ccnc(Cl)c2)cn1 ZINC000834901698 1118618620 /nfs/dbraw/zinc/61/86/20/1118618620.db2.gz AYRRKYHVAJZYFX-LBPRGKRZSA-N 0 1 275.783 3.598 20 0 CHADMN CCN1C[C@H](C)N(C(=O)C(C)(C)C2CCCCC2)C[C@@H]1C ZINC001127595756 1128789389 /nfs/dbraw/zinc/78/93/89/1128789389.db2.gz VZCBNIFDNOXGCW-GJZGRUSLSA-N 0 1 294.483 3.534 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CC(Cc2cccc(C)c2)C1 ZINC000656648250 1118618956 /nfs/dbraw/zinc/61/89/56/1118618956.db2.gz STKAQBHSYHNLLG-UHFFFAOYSA-N 0 1 297.446 3.755 20 0 CHADMN CCc1ncc(CN2CC(Cc3ccccc3C)C2)s1 ZINC000656648912 1118619471 /nfs/dbraw/zinc/61/94/71/1118619471.db2.gz RRMCLQILYWWNRT-UHFFFAOYSA-N 0 1 286.444 3.688 20 0 CHADMN COC[C@H](N[C@H](C)c1c(F)cccc1Cl)C1CC1 ZINC000090180259 1118623265 /nfs/dbraw/zinc/62/32/65/1118623265.db2.gz CKAHXIJFVYIBLY-RNCFNFMXSA-N 0 1 271.763 3.555 20 0 CHADMN CC[C@H](NCc1c(OC)cccc1OC)c1ccccc1 ZINC000656679836 1118633579 /nfs/dbraw/zinc/63/35/79/1118633579.db2.gz LFWPQJQFINWNCJ-INIZCTEOSA-N 0 1 285.387 3.945 20 0 CHADMN O[C@@H](CCc1ccccc1)CN1CC[C@H]1c1ccc(F)cc1 ZINC000656707587 1118641469 /nfs/dbraw/zinc/64/14/69/1118641469.db2.gz DWEAQFQOIDFHHB-OALUTQOASA-N 0 1 299.389 3.566 20 0 CHADMN O[C@@H](CC1CCCC1)CN1CC[C@@H]1c1ccc(F)cc1 ZINC000656708978 1118641554 /nfs/dbraw/zinc/64/15/54/1118641554.db2.gz SGUUXCHBVGSWFF-DLBZAZTESA-N 0 1 277.383 3.514 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccc(F)c(C)c2)s1 ZINC000090401020 1118646025 /nfs/dbraw/zinc/64/60/25/1118646025.db2.gz MCMLMWMHHAMSRI-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656761328 1118650872 /nfs/dbraw/zinc/65/08/72/1118650872.db2.gz OQUFURKIVLQDQB-HNNXBMFYSA-N 0 1 267.413 3.534 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656760915 1118650966 /nfs/dbraw/zinc/65/09/66/1118650966.db2.gz KAAYSIOUMVPHRE-CABCVRRESA-N 0 1 267.413 3.532 20 0 CHADMN CCC1(CC)CCC[N@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000656763625 1118651512 /nfs/dbraw/zinc/65/15/12/1118651512.db2.gz POPYDTWECVCPJK-HNNXBMFYSA-N 0 1 293.382 3.854 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000656762949 1118651905 /nfs/dbraw/zinc/65/19/05/1118651905.db2.gz IPTYAUWEKZGAFU-UHFFFAOYSA-N 0 1 275.392 3.787 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)[C@@H]2CCCC[C@H]12 ZINC000656764959 1118652620 /nfs/dbraw/zinc/65/26/20/1118652620.db2.gz LWGXUNDHXRIRQC-WXUYGCDASA-N 0 1 299.414 3.665 20 0 CHADMN COc1cccc(CNc2nccc(C)c2C2CC2)c1 ZINC000656779376 1118655905 /nfs/dbraw/zinc/65/59/05/1118655905.db2.gz NITAVWRFHBKDPD-UHFFFAOYSA-N 0 1 268.360 3.888 20 0 CHADMN CCc1ccc(C)nc1NCc1cc2cnccc2o1 ZINC000656778674 1118656251 /nfs/dbraw/zinc/65/62/51/1118656251.db2.gz GQIPQBZINUOCFR-UHFFFAOYSA-N 0 1 267.332 3.706 20 0 CHADMN Cc1c(Cl)c(CNc2nccc(C)c2C2CC2)nn1C ZINC000656778804 1118656257 /nfs/dbraw/zinc/65/62/57/1118656257.db2.gz BIUMTFNFUNBJGO-UHFFFAOYSA-N 0 1 290.798 3.575 20 0 CHADMN CCOCc1ccc(CN[C@H](C)c2cnc(C)s2)cc1 ZINC000090402368 1118662199 /nfs/dbraw/zinc/66/21/99/1118662199.db2.gz FXZJTCFNIXBBEV-GFCCVEGCSA-N 0 1 290.432 3.839 20 0 CHADMN FC(F)(F)c1cccc(CCCCNCc2cocn2)c1 ZINC000684379844 1118668935 /nfs/dbraw/zinc/66/89/35/1118668935.db2.gz NVPSLLCVXYBMIV-UHFFFAOYSA-N 0 1 298.308 3.806 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2cccnc2Cl)CC1 ZINC000079054317 1118683027 /nfs/dbraw/zinc/68/30/27/1118683027.db2.gz SYIQDZRNFFUNLA-GFCCVEGCSA-N 0 1 252.789 3.747 20 0 CHADMN CC(C)(N[C@@H]1CC[C@@H](c2ccccc2)C1)C(F)F ZINC000684413485 1118687782 /nfs/dbraw/zinc/68/77/82/1118687782.db2.gz LPLMITQDBGJLHD-CHWSQXEVSA-N 0 1 253.336 3.956 20 0 CHADMN CN(Cc1cnn(C)c1C1CC1)Cc1ccc(Cl)cc1 ZINC000891477556 1118691184 /nfs/dbraw/zinc/69/11/84/1118691184.db2.gz MFFWPUQWFALUQG-UHFFFAOYSA-N 0 1 289.810 3.583 20 0 CHADMN CC[C@H]1CN(c2cc(C)nc3ccc(F)cc32)CCCO1 ZINC000341412260 1118697160 /nfs/dbraw/zinc/69/71/60/1118697160.db2.gz SAYOVPXSQWYQFQ-AWEZNQCLSA-N 0 1 288.366 3.688 20 0 CHADMN COc1ccccc1[C@H](N[C@@H]1CO[C@@H](C)C1)c1ccccc1 ZINC000647181581 1118701095 /nfs/dbraw/zinc/70/10/95/1118701095.db2.gz IUACMRLJSJXSFH-URLQWDBASA-N 0 1 297.398 3.552 20 0 CHADMN CN(Cc1ccnn1C1CCC1)[C@@H]1CCc2ccccc21 ZINC000891558435 1118710020 /nfs/dbraw/zinc/71/00/20/1118710020.db2.gz JKOWAAJUEQPAIM-GOSISDBHSA-N 0 1 281.403 3.727 20 0 CHADMN FC(F)(F)C1CCN(Cc2nccc3c2CCCC3)CC1 ZINC000891573311 1118712351 /nfs/dbraw/zinc/71/23/51/1118712351.db2.gz BFJTZTYKCTXSDS-UHFFFAOYSA-N 0 1 298.352 3.735 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(F)c(F)cc2OC)C1 ZINC001143400618 1118714324 /nfs/dbraw/zinc/71/43/24/1118714324.db2.gz YIZJPPMGPGYRLJ-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN COc1ccc(CN(Cc2cccs2)C(C)C)o1 ZINC000891627445 1118725743 /nfs/dbraw/zinc/72/57/43/1118725743.db2.gz XFLWJTUULFXZTR-UHFFFAOYSA-N 0 1 265.378 3.760 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1cnn(CC2CCC2)c1 ZINC000891639943 1118728239 /nfs/dbraw/zinc/72/82/39/1118728239.db2.gz KZLMMZBCQGYQBH-CYBMUJFWSA-N 0 1 289.448 3.938 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1cn2ccnc2s1 ZINC000891639996 1118728271 /nfs/dbraw/zinc/72/82/71/1118728271.db2.gz LOUTYLRQFAQZOR-JTQLQIEISA-N 0 1 277.418 3.650 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1cnn(C)c1C1CC1 ZINC000891640747 1118728514 /nfs/dbraw/zinc/72/85/14/1118728514.db2.gz RKFYBNUNUWVHBF-LLVKDONJSA-N 0 1 275.421 3.552 20 0 CHADMN Cc1ccoc1CNCc1ccc(Br)s1 ZINC000126646549 1118732577 /nfs/dbraw/zinc/73/25/77/1118732577.db2.gz NUZYUCCGVJXXNO-UHFFFAOYSA-N 0 1 286.194 3.702 20 0 CHADMN C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000471801093 1118735247 /nfs/dbraw/zinc/73/52/47/1118735247.db2.gz YNUAQSNZZZWRMZ-WCQYABFASA-N 0 1 291.391 3.509 20 0 CHADMN c1cnc([C@H]2CCCN2CCC2=CCCCC2)nc1 ZINC000639865217 1118739933 /nfs/dbraw/zinc/73/99/33/1118739933.db2.gz FUNCGHWEXVBKRV-OAHLLOKOSA-N 0 1 257.381 3.504 20 0 CHADMN CCC[C@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000341580850 1118746565 /nfs/dbraw/zinc/74/65/65/1118746565.db2.gz GIEJQMWPWZKHNR-LBPRGKRZSA-N 0 1 252.789 3.747 20 0 CHADMN CCC[C@H]1CCCN(Cc2ccncc2Cl)C1 ZINC000341580850 1118746566 /nfs/dbraw/zinc/74/65/66/1118746566.db2.gz GIEJQMWPWZKHNR-LBPRGKRZSA-N 0 1 252.789 3.747 20 0 CHADMN CCN(Cc1cnc(F)cc1C)[C@@H](C)c1cccc(O)c1 ZINC000891714301 1118749607 /nfs/dbraw/zinc/74/96/07/1118749607.db2.gz VMLNTERTCCYXBR-ZDUSSCGKSA-N 0 1 288.366 3.818 20 0 CHADMN Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[C@@H](C)O3)on1 ZINC000891720173 1118750496 /nfs/dbraw/zinc/75/04/96/1118750496.db2.gz XBCBKARZXHNTRN-CZUORRHYSA-N 0 1 298.386 3.644 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2ccc3c(c2)C[C@@H](C)O3)on1 ZINC000891720173 1118750499 /nfs/dbraw/zinc/75/04/99/1118750499.db2.gz XBCBKARZXHNTRN-CZUORRHYSA-N 0 1 298.386 3.644 20 0 CHADMN CC(C)CC[N@@H+](Cc1cncc(Br)c1)C1CC1 ZINC000131659312 1118763076 /nfs/dbraw/zinc/76/30/76/1118763076.db2.gz VFYGUGSQZKXLFS-UHFFFAOYSA-N 0 1 297.240 3.855 20 0 CHADMN c1ccc(CSCCN2Cc3ccccc3C2)cc1 ZINC000430739458 1118765775 /nfs/dbraw/zinc/76/57/75/1118765775.db2.gz HJEVJPGUCHQKFH-UHFFFAOYSA-N 0 1 269.413 3.936 20 0 CHADMN COc1ccc(Br)c(C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000087797763 1118767637 /nfs/dbraw/zinc/76/76/37/1118767637.db2.gz QRXHIVNSWNBXQG-LLVKDONJSA-N 0 1 298.224 3.690 20 0 CHADMN COc1ccc(Br)c(CN2CCC[C@@H](C)C2)c1 ZINC000087797763 1118767640 /nfs/dbraw/zinc/76/76/40/1118767640.db2.gz QRXHIVNSWNBXQG-LLVKDONJSA-N 0 1 298.224 3.690 20 0 CHADMN C[C@@H]1CN(Cc2ccc(-c3cccs3)cc2)CCO1 ZINC000510568748 1118769929 /nfs/dbraw/zinc/76/99/29/1118769929.db2.gz GXQLWXGKULHIBL-CYBMUJFWSA-N 0 1 273.401 3.636 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000213398823 1118772908 /nfs/dbraw/zinc/77/29/08/1118772908.db2.gz FLOODZWJDSAQMR-HNNXBMFYSA-N 0 1 261.365 3.539 20 0 CHADMN C[C@H]1CCc2nc(CN(C)CC(C)(C)C)sc2C1 ZINC000510624191 1118778344 /nfs/dbraw/zinc/77/83/44/1118778344.db2.gz GPKJQGFMYYZODU-NSHDSACASA-N 0 1 266.454 3.746 20 0 CHADMN Fc1cccc(Cl)c1CCC[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000430877223 1118779417 /nfs/dbraw/zinc/77/94/17/1118779417.db2.gz VTRVNCKPPVSYJH-CVEARBPZSA-N 0 1 297.801 3.665 20 0 CHADMN Fc1cccc(Cl)c1CCCN1CCO[C@H]2CCC[C@H]21 ZINC000430877223 1118779420 /nfs/dbraw/zinc/77/94/20/1118779420.db2.gz VTRVNCKPPVSYJH-CVEARBPZSA-N 0 1 297.801 3.665 20 0 CHADMN CCn1ccnc1[C@@H]1CCCC[N@H+]1CCc1ccccc1 ZINC000430864252 1118779872 /nfs/dbraw/zinc/77/98/72/1118779872.db2.gz JQRANCVAGCSFHA-KRWDZBQOSA-N 0 1 283.419 3.673 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2c(C3CC3)nc3sccn23)C1 ZINC000430875730 1118781856 /nfs/dbraw/zinc/78/18/56/1118781856.db2.gz OXSCTWFLHKYLSC-LLVKDONJSA-N 0 1 287.432 3.671 20 0 CHADMN COc1ccc(CN2CC(C)=C[C@H](C)C2)c(OC(F)F)c1 ZINC000430875682 1118782001 /nfs/dbraw/zinc/78/20/01/1118782001.db2.gz ONICZKGAYKDWER-NSHDSACASA-N 0 1 297.345 3.695 20 0 CHADMN Cc1ccc(CN2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000510662973 1118785122 /nfs/dbraw/zinc/78/51/22/1118785122.db2.gz IYWYVRRZIXFTKD-FQEVSTJZSA-N 0 1 293.410 3.669 20 0 CHADMN CCc1oc2ccccc2c1CN1CCO[C@@H]2CCC[C@H]21 ZINC000510675687 1118786885 /nfs/dbraw/zinc/78/68/85/1118786885.db2.gz RYWVQCWVRMEBPA-CRAIPNDOSA-N 0 1 285.387 3.749 20 0 CHADMN CC[C@@H](N[C@H](C)C1CCC(F)(F)CC1)C(F)F ZINC000449358105 1118791746 /nfs/dbraw/zinc/79/17/46/1118791746.db2.gz DVCNNHDVPWVGFA-PSASIEDQSA-N 0 1 255.299 3.834 20 0 CHADMN CC[C@H](N[C@@H](C)CCc1ccc(F)cc1)C(F)F ZINC000449361120 1118795039 /nfs/dbraw/zinc/79/50/39/1118795039.db2.gz KOFJAOHLVVVCSJ-GWCFXTLKSA-N 0 1 259.315 3.780 20 0 CHADMN CC[C@H](NC1CCC(OC2CCCC2)CC1)C(F)F ZINC000449363245 1118796048 /nfs/dbraw/zinc/79/60/48/1118796048.db2.gz OWVWBOZZQXZAPG-UBHUBRDASA-N 0 1 275.383 3.890 20 0 CHADMN Cc1nnsc1CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000293890929 1118801916 /nfs/dbraw/zinc/80/19/16/1118801916.db2.gz ZECOURYNVWQCBF-AWEZNQCLSA-N 0 1 295.839 3.987 20 0 CHADMN COc1c(O)cccc1CN[C@H](C)c1ccc(C)c(F)c1 ZINC000449373858 1118807613 /nfs/dbraw/zinc/80/76/13/1118807613.db2.gz VBAMKKNLPUPFSX-GFCCVEGCSA-N 0 1 289.350 3.699 20 0 CHADMN COc1ccc(F)c(F)c1CN1CCC[C@H](C)[C@@H]1C ZINC001143411970 1118821792 /nfs/dbraw/zinc/82/17/92/1118821792.db2.gz BOPAZJCLDLLUPR-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN COc1ccc(F)c(F)c1CN(CC1CC1)C(C)C ZINC001143412419 1118822381 /nfs/dbraw/zinc/82/23/81/1118822381.db2.gz VRMOVFKRVMKMRE-UHFFFAOYSA-N 0 1 269.335 3.594 20 0 CHADMN COc1ccc(F)c(F)c1C[N@@H+](C)CC1CCCCC1 ZINC001143412587 1118824596 /nfs/dbraw/zinc/82/45/96/1118824596.db2.gz AWAQHPVEGUUUIO-UHFFFAOYSA-N 0 1 283.362 3.986 20 0 CHADMN COc1ccc(F)c(F)c1CN(C)CC1CCCCC1 ZINC001143412587 1118824603 /nfs/dbraw/zinc/82/46/03/1118824603.db2.gz AWAQHPVEGUUUIO-UHFFFAOYSA-N 0 1 283.362 3.986 20 0 CHADMN [O-]c1cccc2c(NCCOc3ccccc3F)cc[nH+]c12 ZINC000684565105 1118846319 /nfs/dbraw/zinc/84/63/19/1118846319.db2.gz JKUWIJPDPMOMJW-UHFFFAOYSA-N 0 1 298.317 3.570 20 0 CHADMN Cc1n[nH]cc1C[N@H+](C)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000639968516 1118846640 /nfs/dbraw/zinc/84/66/40/1118846640.db2.gz UDAZJERUAKSYKF-LLVKDONJSA-N 0 1 295.333 3.513 20 0 CHADMN Cc1n[nH]cc1CN(C)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000639968516 1118846646 /nfs/dbraw/zinc/84/66/46/1118846646.db2.gz UDAZJERUAKSYKF-LLVKDONJSA-N 0 1 295.333 3.513 20 0 CHADMN CCOCC[N@@H+](CC)Cc1ccc(CSC(F)F)o1 ZINC000092537898 1118847146 /nfs/dbraw/zinc/84/71/46/1118847146.db2.gz JLHWMLVDWAHEFT-UHFFFAOYSA-N 0 1 293.379 3.594 20 0 CHADMN CCOCCN(CC)Cc1ccc(CSC(F)F)o1 ZINC000092537898 1118847149 /nfs/dbraw/zinc/84/71/49/1118847149.db2.gz JLHWMLVDWAHEFT-UHFFFAOYSA-N 0 1 293.379 3.594 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(O)c(F)c2)s1 ZINC000891923518 1118849381 /nfs/dbraw/zinc/84/93/81/1118849381.db2.gz OCOKKDFBIORNGL-UHFFFAOYSA-N 0 1 265.353 3.533 20 0 CHADMN COc1ccc(C)cc1CNc1cc[nH+]c2c([O-])cccc12 ZINC000684569402 1118851692 /nfs/dbraw/zinc/85/16/92/1118851692.db2.gz XPCWMTUFICTVED-UHFFFAOYSA-N 0 1 294.354 3.870 20 0 CHADMN c1nc(C2CC2)c(C[N@H+]2CCC[C@@H]2c2cccnc2)s1 ZINC000348894763 1118859889 /nfs/dbraw/zinc/85/98/89/1118859889.db2.gz PQAXMBVFCBOADA-CQSZACIVSA-N 0 1 285.416 3.753 20 0 CHADMN c1nc(C2CC2)c(CN2CCC[C@@H]2c2cccnc2)s1 ZINC000348894763 1118859894 /nfs/dbraw/zinc/85/98/94/1118859894.db2.gz PQAXMBVFCBOADA-CQSZACIVSA-N 0 1 285.416 3.753 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1nccn1C1CC1)C1CC1 ZINC000891943669 1118861790 /nfs/dbraw/zinc/86/17/90/1118861790.db2.gz TUCBZMMFDZUMNT-STQMWFEESA-N 0 1 261.413 3.617 20 0 CHADMN COc1cc2c(cc1F)nccc2NC1CC=CC1 ZINC000684576971 1118863546 /nfs/dbraw/zinc/86/35/46/1118863546.db2.gz UNJZTPPNYZZRTR-UHFFFAOYSA-N 0 1 258.296 3.513 20 0 CHADMN COc1ccccc1CN[C@@H]1CCc2cc(F)ccc21 ZINC000133388571 1118863645 /nfs/dbraw/zinc/86/36/45/1118863645.db2.gz RBBURFKGXSEIMK-MRXNPFEDSA-N 0 1 271.335 3.611 20 0 CHADMN O[C@@H](CN(Cc1ccoc1)Cc1ccccc1)c1ccco1 ZINC000093866865 1118868129 /nfs/dbraw/zinc/86/81/29/1118868129.db2.gz QIHXXUNFIDOYNV-KRWDZBQOSA-N 0 1 297.354 3.608 20 0 CHADMN Cc1csc([C@@H](C)CNc2cc[nH+]c3c([O-])cccc23)n1 ZINC000684581275 1118869056 /nfs/dbraw/zinc/86/90/56/1118869056.db2.gz MDTXQMSIRZVAKC-JTQLQIEISA-N 0 1 299.399 3.921 20 0 CHADMN c1cc2ccc(CN(Cc3ccoc3)C3CC3)cc2[nH]1 ZINC000934003435 1118886116 /nfs/dbraw/zinc/88/61/16/1118886116.db2.gz HZHTZXFCDBARKS-UHFFFAOYSA-N 0 1 266.344 3.926 20 0 CHADMN Fc1cccc2c1CN(C[C@H]1CCOc3ccccc31)C2 ZINC000657140305 1118887991 /nfs/dbraw/zinc/88/79/91/1118887991.db2.gz ZGPOEPZDQLGTFH-CQSZACIVSA-N 0 1 283.346 3.708 20 0 CHADMN c1csc(-c2ncc(CN3CC[C@H]3C3CC3)s2)c1 ZINC000449426297 1118889626 /nfs/dbraw/zinc/88/96/26/1118889626.db2.gz KSIUTJBKKAIUSD-LBPRGKRZSA-N 0 1 276.430 3.856 20 0 CHADMN CO[C@@H]1CCCN(Cc2cnc(C3CCCCC3)s2)C1 ZINC000535837154 1118904923 /nfs/dbraw/zinc/90/49/23/1118904923.db2.gz QRQNMYNEMLYPAO-CQSZACIVSA-N 0 1 294.464 3.802 20 0 CHADMN CN(C)Cc1cccc(Nc2cccnc2Cl)c1F ZINC001216227166 1118911511 /nfs/dbraw/zinc/91/15/11/1118911511.db2.gz SSBRMFWPBYWNRA-UHFFFAOYSA-N 0 1 279.746 3.679 20 0 CHADMN CCc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)on1 ZINC000148038118 1118919803 /nfs/dbraw/zinc/91/98/03/1118919803.db2.gz GHBJPYBOMRJVLK-UHFFFAOYSA-N 0 1 281.237 3.799 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c1Cl ZINC000647230207 1118924153 /nfs/dbraw/zinc/92/41/53/1118924153.db2.gz HLPPWQCXKODEOD-HUUCEWRRSA-N 0 1 287.790 3.939 20 0 CHADMN Cc1nc2ccc(Nc3cc(C(C)C)no3)cc2[nH]1 ZINC001213070245 1128810359 /nfs/dbraw/zinc/81/03/59/1128810359.db2.gz GSCSIOUWLPBAGR-UHFFFAOYSA-N 0 1 256.309 3.726 20 0 CHADMN C[C@@H]1CCCC[C@H]1CSc1nc(C2CC2)n[nH]1 ZINC000657241217 1118931509 /nfs/dbraw/zinc/93/15/09/1118931509.db2.gz PGWXKDVVPJMLNF-KOLCDFICSA-N 0 1 251.399 3.601 20 0 CHADMN CC[C@H](CSc1nc(-c2cccnc2)n[nH]1)CC(F)F ZINC000657245143 1118932245 /nfs/dbraw/zinc/93/22/45/1118932245.db2.gz VTHBRWHIRVOHNL-VIFPVBQESA-N 0 1 298.362 3.640 20 0 CHADMN CC/C=C\CNCc1ncc(-c2ccccc2)s1 ZINC000449459629 1118937875 /nfs/dbraw/zinc/93/78/75/1118937875.db2.gz QQVYUQYNOFBTET-CLTKARDFSA-N 0 1 258.390 3.866 20 0 CHADMN Cc1nc2c(n1Cc1ccsc1Cl)CCCC2 ZINC000657261578 1118942025 /nfs/dbraw/zinc/94/20/25/1118942025.db2.gz IDFIVKZHCXWTNM-UHFFFAOYSA-N 0 1 266.797 3.834 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000684669354 1118946056 /nfs/dbraw/zinc/94/60/56/1118946056.db2.gz CVVIGJFAFHDWFH-GFCCVEGCSA-N 0 1 286.350 3.879 20 0 CHADMN C[N@@H+](Cc1ccnc(Cl)c1)[C@H]1CCc2ccccc21 ZINC000068960227 1128811673 /nfs/dbraw/zinc/81/16/73/1128811673.db2.gz BUHOOLQGOASJGN-HNNXBMFYSA-N 0 1 272.779 3.854 20 0 CHADMN c1cn(C2CC2)c(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000892050669 1118950507 /nfs/dbraw/zinc/95/05/07/1118950507.db2.gz XDVUGLMWTKISHZ-KRWDZBQOSA-N 0 1 271.408 3.540 20 0 CHADMN c1cn(C2CC2)c(CN2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000892050669 1118950511 /nfs/dbraw/zinc/95/05/11/1118950511.db2.gz XDVUGLMWTKISHZ-KRWDZBQOSA-N 0 1 271.408 3.540 20 0 CHADMN CC(C)n1ccnc1CN[C@H]1CCCc2ccccc21 ZINC000657286624 1118957976 /nfs/dbraw/zinc/95/79/76/1118957976.db2.gz QQFLZIJETBSIGR-INIZCTEOSA-N 0 1 269.392 3.631 20 0 CHADMN CCCC[C@H](CCC)Nc1nc(Cl)nc2[nH]cnc21 ZINC000226137019 1118968496 /nfs/dbraw/zinc/96/84/96/1118968496.db2.gz JMMIDKBEAQFFSF-VIFPVBQESA-N 0 1 281.791 3.777 20 0 CHADMN Fc1cc(CNCc2cccc3cc[nH]c32)cc(F)c1F ZINC000342312402 1118974052 /nfs/dbraw/zinc/97/40/52/1118974052.db2.gz PODWLMLHFSYIIY-UHFFFAOYSA-N 0 1 290.288 3.875 20 0 CHADMN Cc1ccoc1CN[C@H]1CSCc2ccccc21 ZINC000380969462 1118975584 /nfs/dbraw/zinc/97/55/84/1118975584.db2.gz VZYJIVQWBAUSAB-AWEZNQCLSA-N 0 1 259.374 3.666 20 0 CHADMN CCCC(O)(CCC)CNCc1csc(C(C)(C)C)n1 ZINC000119705257 1118982147 /nfs/dbraw/zinc/98/21/47/1118982147.db2.gz FRRSQZAJZKWIIH-UHFFFAOYSA-N 0 1 298.496 3.862 20 0 CHADMN Cn1ncc(C2CCC2)c1CNCc1cc2ccccc2o1 ZINC000657313874 1118989655 /nfs/dbraw/zinc/98/96/55/1118989655.db2.gz WOSXZHIMNNYNHK-UHFFFAOYSA-N 0 1 295.386 3.724 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1nc2ccc(F)cc2o1 ZINC000342365925 1118992681 /nfs/dbraw/zinc/99/26/81/1118992681.db2.gz WVIQCTZVPUOXCW-WDEREUQCSA-N 0 1 262.328 3.587 20 0 CHADMN CCCOc1ccc(CNCc2cccc(C)n2)c(C)c1 ZINC000657318643 1118997066 /nfs/dbraw/zinc/99/70/66/1118997066.db2.gz RYCIMFFVQYLDBC-UHFFFAOYSA-N 0 1 284.403 3.777 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)C[C@H](O)c1ccccc1 ZINC000051407483 1118998613 /nfs/dbraw/zinc/99/86/13/1118998613.db2.gz IZVARILKWHHJAU-SJCJKPOMSA-N 0 1 291.341 3.691 20 0 CHADMN C[C@@H]1CCC[C@H](NCc2nc(C(C)(C)C)co2)C1 ZINC000724427887 1118999344 /nfs/dbraw/zinc/99/93/44/1118999344.db2.gz CFRGNCHIOVJJSV-NEPJUHHUSA-N 0 1 250.386 3.640 20 0 CHADMN CCc1cccc2cc(CNCc3ccccc3CO)oc21 ZINC000657328355 1119002733 /nfs/dbraw/zinc/00/27/33/1119002733.db2.gz SQXCENVPABWBAB-UHFFFAOYSA-N 0 1 295.382 3.777 20 0 CHADMN CC(C)(C)c1coc(CNC[C@@]23C[C@@H]2CCCC3)n1 ZINC000724437157 1119006258 /nfs/dbraw/zinc/00/62/58/1119006258.db2.gz GDTJLYHBQRWRKC-BLLLJJGKSA-N 0 1 262.397 3.642 20 0 CHADMN Cc1cccnc1[C@H](NCc1cccnc1C)C(C)(C)C ZINC000934285955 1119008379 /nfs/dbraw/zinc/00/83/79/1119008379.db2.gz BFSLVNRWNXFXEQ-KRWDZBQOSA-N 0 1 283.419 3.970 20 0 CHADMN Cc1cc(CN[C@@H](c2ncccc2C)C(C)(C)C)c(C)nn1 ZINC000934288749 1119008805 /nfs/dbraw/zinc/00/88/05/1119008805.db2.gz XWDIVFWIKASXCR-KRWDZBQOSA-N 0 1 298.434 3.674 20 0 CHADMN Cc1ncc(CNCc2cc3c(cccc3C)[nH]2)s1 ZINC000657348161 1119016968 /nfs/dbraw/zinc/01/69/68/1119016968.db2.gz MOYFGFXSANYIID-UHFFFAOYSA-N 0 1 271.389 3.531 20 0 CHADMN CCN(Cc1cnc(C)o1)[C@@H](C)c1cccc(OC)c1 ZINC000628139648 1128816042 /nfs/dbraw/zinc/81/60/42/1128816042.db2.gz MBEKONTWBDBHJQ-LBPRGKRZSA-N 0 1 274.364 3.575 20 0 CHADMN CC[C@@H](NCc1cnn2c1CCC2)c1ccc(Cl)s1 ZINC000657361290 1119026621 /nfs/dbraw/zinc/02/66/21/1119026621.db2.gz KMARXXMANQBREY-LLVKDONJSA-N 0 1 295.839 3.785 20 0 CHADMN Clc1sccc1CN1CC[C@H](Cc2nccs2)C1 ZINC000934332787 1119028141 /nfs/dbraw/zinc/02/81/41/1119028141.db2.gz SYRHAQRDSUARAX-SNVBAGLBSA-N 0 1 298.864 3.923 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1CN(C)Cc1nccn1C(F)F ZINC000628136907 1128816847 /nfs/dbraw/zinc/81/68/47/1128816847.db2.gz QOOYHZANGXHEJQ-CHWSQXEVSA-N 0 1 285.382 3.926 20 0 CHADMN C[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ncccc2[O-])C1 ZINC000582208182 1119033752 /nfs/dbraw/zinc/03/37/52/1119033752.db2.gz KUIXJIUWNXVYLI-WMLDXEAASA-N 0 1 282.387 3.760 20 0 CHADMN C[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ncccc2[O-])C1 ZINC000582208182 1119033757 /nfs/dbraw/zinc/03/37/57/1119033757.db2.gz KUIXJIUWNXVYLI-WMLDXEAASA-N 0 1 282.387 3.760 20 0 CHADMN Cc1cc(CNCc2cccc(C3CCCC3)c2)[nH]n1 ZINC000657367955 1119033989 /nfs/dbraw/zinc/03/39/89/1119033989.db2.gz LMGLZVXNZWFLSI-UHFFFAOYSA-N 0 1 269.392 3.666 20 0 CHADMN Cc1ccccc1[C@H](NCc1cn(C2CCC2)nn1)C(C)C ZINC000657369561 1119036654 /nfs/dbraw/zinc/03/66/54/1119036654.db2.gz JZRZVKVYVBUILC-GOSISDBHSA-N 0 1 298.434 3.798 20 0 CHADMN CCCOc1ccc(CN[C@H]2CCCc3c[nH]nc32)c(C)c1 ZINC000657400284 1119057342 /nfs/dbraw/zinc/05/73/42/1119057342.db2.gz QQYFGRPRVALWHX-KRWDZBQOSA-N 0 1 299.418 3.674 20 0 CHADMN Cc1ccc2cc(CN[C@@H](C)c3n[nH]c(C(C)C)n3)[nH]c2c1 ZINC000657419299 1119071313 /nfs/dbraw/zinc/07/13/13/1119071313.db2.gz AJGFCXJZQOZYDG-LBPRGKRZSA-N 0 1 297.406 3.569 20 0 CHADMN C[C@@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000158270643 1119074937 /nfs/dbraw/zinc/07/49/37/1119074937.db2.gz HMGILKKDYOGOIN-GFCCVEGCSA-N 0 1 274.339 3.855 20 0 CHADMN C[C@@H]1CCCCN1Cc1ncc(-c2ccccc2F)o1 ZINC000158270643 1119074941 /nfs/dbraw/zinc/07/49/41/1119074941.db2.gz HMGILKKDYOGOIN-GFCCVEGCSA-N 0 1 274.339 3.855 20 0 CHADMN Cc1nc(CN(C)[C@H](c2ccccc2)C(C)C)[nH]c1C ZINC000628173078 1128820325 /nfs/dbraw/zinc/82/03/25/1128820325.db2.gz HLZWELJGGQUKIN-KRWDZBQOSA-N 0 1 271.408 3.856 20 0 CHADMN C[C@@H]1CCCc2ccccc2[C@@H]1NCc1cc2n(n1)CCC2 ZINC000657434342 1119086174 /nfs/dbraw/zinc/08/61/74/1119086174.db2.gz GFVYKOXXFSXSET-AUUYWEPGSA-N 0 1 295.430 3.633 20 0 CHADMN CCCn1nccc1CNCc1ccc(C(F)F)cc1 ZINC000657437306 1119088968 /nfs/dbraw/zinc/08/89/68/1119088968.db2.gz QJXDZQAOTPMUGZ-UHFFFAOYSA-N 0 1 279.334 3.521 20 0 CHADMN C[C@@H](CC(F)(F)F)NCc1cccc(OC2CC2)c1F ZINC000657435727 1119089189 /nfs/dbraw/zinc/08/91/89/1119089189.db2.gz IRFMAMLINHVREH-VIFPVBQESA-N 0 1 291.288 3.797 20 0 CHADMN C[C@H]1CN(CCCOC(F)(F)F)[C@@H]1c1ccccc1 ZINC001167576837 1119090638 /nfs/dbraw/zinc/09/06/38/1119090638.db2.gz OUJSRNMDVOFABK-AAEUAGOBSA-N 0 1 273.298 3.606 20 0 CHADMN COC(=O)c1ccc(Cl)c(CN2CCCC[C@@H]2C)c1 ZINC000511132066 1119090795 /nfs/dbraw/zinc/09/07/95/1119090795.db2.gz UOERBFIBHAQEAT-NSHDSACASA-N 0 1 281.783 3.501 20 0 CHADMN C[C@H](CN(C)Cc1ccncc1Cl)c1ccccc1 ZINC000472229051 1119103582 /nfs/dbraw/zinc/10/35/82/1119103582.db2.gz IDMZEUGDEFORLE-CYBMUJFWSA-N 0 1 274.795 3.971 20 0 CHADMN COCc1cnc(CN(CC2CCCCC2)C2CC2)s1 ZINC000342632414 1119106840 /nfs/dbraw/zinc/10/68/40/1119106840.db2.gz HHJKXLJCJXMUPK-UHFFFAOYSA-N 0 1 294.464 3.834 20 0 CHADMN Cc1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)c(C)c1 ZINC000073142288 1119109821 /nfs/dbraw/zinc/10/98/21/1119109821.db2.gz OXPDFPLZUNDWHC-UHFFFAOYSA-N 0 1 291.354 3.946 20 0 CHADMN Cn1ncc(C2CC2)c1CNCc1ccc2sccc2c1 ZINC000657468339 1119114984 /nfs/dbraw/zinc/11/49/84/1119114984.db2.gz NAPFIGCOEIUDDS-UHFFFAOYSA-N 0 1 297.427 3.802 20 0 CHADMN CCCCN(CCCC)Cc1ncc(COC)s1 ZINC000342688867 1119127594 /nfs/dbraw/zinc/12/75/94/1119127594.db2.gz HKPWGGHCESGUTG-UHFFFAOYSA-N 0 1 270.442 3.692 20 0 CHADMN C[C@@]1(CN2CCc3c4ccccc4[nH]c3C2)CCCS1 ZINC000628185907 1128823675 /nfs/dbraw/zinc/82/36/75/1128823675.db2.gz QFORRPOFIXXMNQ-KRWDZBQOSA-N 0 1 286.444 3.812 20 0 CHADMN COCC[C@H]1CCCCN(Cc2csc(C3CC3)n2)C1 ZINC000342707086 1119133962 /nfs/dbraw/zinc/13/39/62/1119133962.db2.gz WFZFAWIINBRUME-CYBMUJFWSA-N 0 1 294.464 3.659 20 0 CHADMN CCc1cccc(CNCc2ccc(F)c(F)c2F)c1 ZINC000657503289 1119135065 /nfs/dbraw/zinc/13/50/65/1119135065.db2.gz ZBJVYVRKZRLOQK-UHFFFAOYSA-N 0 1 279.305 3.956 20 0 CHADMN CCC1CCC(N(C)Cc2ncc(COC)s2)CC1 ZINC000342709813 1119135809 /nfs/dbraw/zinc/13/58/09/1119135809.db2.gz GEKFSJGHTFNVLE-UHFFFAOYSA-N 0 1 282.453 3.690 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2cccnc21)c1ccncc1 ZINC000684956371 1119141455 /nfs/dbraw/zinc/14/14/55/1119141455.db2.gz BYLADXWKVAOSOZ-HZPDHXFCSA-N 0 1 267.376 3.595 20 0 CHADMN CCOCc1ccc(CN[C@H]2CCCc3cccnc32)cc1 ZINC000684954502 1119141501 /nfs/dbraw/zinc/14/15/01/1119141501.db2.gz VIEHXGUVODUENA-SFHVURJKSA-N 0 1 296.414 3.785 20 0 CHADMN CN(Cc1cc(Cl)cn1C)Cc1ccc2[nH]ccc2c1 ZINC000628189507 1128824357 /nfs/dbraw/zinc/82/43/57/1128824357.db2.gz CMCOWLNPDILUGK-UHFFFAOYSA-N 0 1 287.794 3.792 20 0 CHADMN c1oc2ccccc2c1CN[C@@H]1CCCc2cccnc21 ZINC000684958679 1119142758 /nfs/dbraw/zinc/14/27/58/1119142758.db2.gz SPNYLTKLEXRBKB-MRXNPFEDSA-N 0 1 278.355 3.995 20 0 CHADMN CCSc1cc(CN[C@H]2CCCc3cccnc32)ccn1 ZINC000684962302 1119143521 /nfs/dbraw/zinc/14/35/21/1119143521.db2.gz RKJWBJICFDOLLK-HNNXBMFYSA-N 0 1 299.443 3.756 20 0 CHADMN CCCCn1cc(CN[C@@H]2CCCc3cccnc32)c(C)n1 ZINC000684959554 1119143670 /nfs/dbraw/zinc/14/36/70/1119143670.db2.gz CVGYSGOWOIOAAH-QGZVFWFLSA-N 0 1 298.434 3.554 20 0 CHADMN O=C(Nc1cccc(C(F)F)c1)c1cccc(F)c1O ZINC001125612782 1119144453 /nfs/dbraw/zinc/14/44/53/1119144453.db2.gz QHKXMTIKTFZNHQ-UHFFFAOYSA-N 0 1 281.233 3.721 20 0 CHADMN C[C@@]1(CN2CCc3ccc(F)c(F)c3C2)CCCS1 ZINC000628190607 1128825030 /nfs/dbraw/zinc/82/50/30/1128825030.db2.gz KTHOODOLYXUZPR-HNNXBMFYSA-N 0 1 283.387 3.609 20 0 CHADMN CC(C)[C@@H]1CCCC[C@@H]1NCc1noc(C(C)(C)C)n1 ZINC000153035820 1119154711 /nfs/dbraw/zinc/15/47/11/1119154711.db2.gz YXHJLNCLXIQSTE-STQMWFEESA-N 0 1 279.428 3.672 20 0 CHADMN Cc1cncc(CN[C@@H](C)c2cc3ccccc3o2)c1 ZINC000342763613 1119158118 /nfs/dbraw/zinc/15/81/18/1119158118.db2.gz XUEWWEXMUFVZFG-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN CC1(C)C[C@H](NCc2ccc(F)c(Cl)c2Cl)CO1 ZINC000657530873 1119158878 /nfs/dbraw/zinc/15/88/78/1119158878.db2.gz OALPJQJBHRKZEK-VIFPVBQESA-N 0 1 292.181 3.790 20 0 CHADMN Cc1cnc(CN2CCC[C@H]2c2ccc(C)c(C)c2)n1C ZINC000342771988 1119160177 /nfs/dbraw/zinc/16/01/77/1119160177.db2.gz AJZLJOAMIZFAHX-KRWDZBQOSA-N 0 1 283.419 3.682 20 0 CHADMN CC[C@@H]1CCCN(Cc2noc3c2CCCC3)CC1 ZINC000117343921 1119162668 /nfs/dbraw/zinc/16/26/68/1119162668.db2.gz HKQWWBCUNCBLFW-CYBMUJFWSA-N 0 1 262.397 3.566 20 0 CHADMN Cc1cnc(CN2CCC[C@@H]2c2cc(C)ccc2C)n1C ZINC000342785711 1119166474 /nfs/dbraw/zinc/16/64/74/1119166474.db2.gz SCGCLUOXSIELID-QGZVFWFLSA-N 0 1 283.419 3.682 20 0 CHADMN CCCN(Cc1ncc(C)n1C)[C@H]1CCc2ccccc21 ZINC000342790749 1119168995 /nfs/dbraw/zinc/16/89/95/1119168995.db2.gz BCKXFODRIZXLGY-KRWDZBQOSA-N 0 1 283.419 3.628 20 0 CHADMN C[C@@H](NCc1ccc(F)cc1F)c1ccc2c(c1)CCO2 ZINC000050309575 1119169286 /nfs/dbraw/zinc/16/92/86/1119169286.db2.gz HAADQTDPNANXNJ-LLVKDONJSA-N 0 1 289.325 3.751 20 0 CHADMN CCn1ccnc1C[N@@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000075886486 1119179373 /nfs/dbraw/zinc/17/93/73/1119179373.db2.gz YALBBUYOZKMDIP-MSOLQXFVSA-N 0 1 297.446 3.980 20 0 CHADMN Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)Cc2ccon2)cc1 ZINC000075886560 1119179999 /nfs/dbraw/zinc/17/99/99/1119179999.db2.gz JQASQZIMEKTAGX-SJORKVTESA-N 0 1 270.376 3.751 20 0 CHADMN CSc1cc(Cl)ccc1NCc1[nH]ncc1C ZINC000657556231 1119181326 /nfs/dbraw/zinc/18/13/26/1119181326.db2.gz SQMSMFBQRJAYPY-UHFFFAOYSA-N 0 1 267.785 3.706 20 0 CHADMN CCCN(CCC)C(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000076199858 1119183766 /nfs/dbraw/zinc/18/37/66/1119183766.db2.gz BVXYZQYUVBTZSM-OAHLLOKOSA-N 0 1 294.464 3.534 20 0 CHADMN CCCN(CCC)C(=O)CN1CCC[C@@H]1c1ccsc1 ZINC000076199858 1119183767 /nfs/dbraw/zinc/18/37/67/1119183767.db2.gz BVXYZQYUVBTZSM-OAHLLOKOSA-N 0 1 294.464 3.534 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccc(Cl)c1O ZINC000077010685 1119190625 /nfs/dbraw/zinc/19/06/25/1119190625.db2.gz VHNYFIPJTRNSQY-ZWNOBZJWSA-N 0 1 297.782 3.579 20 0 CHADMN FC(F)(F)[C@H](CNCc1ccccc1)OC1CCCC1 ZINC000657586819 1119200967 /nfs/dbraw/zinc/20/09/67/1119200967.db2.gz MJIGISOBORLBPE-AWEZNQCLSA-N 0 1 287.325 3.666 20 0 CHADMN C[C@H](c1ccco1)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000078275618 1119205485 /nfs/dbraw/zinc/20/54/85/1119205485.db2.gz JNEUVZOKSAENON-GFCCVEGCSA-N 0 1 295.342 3.503 20 0 CHADMN COC[C@@H](NCc1csc(C)c1)c1cccc(OC)c1 ZINC000657613078 1119206387 /nfs/dbraw/zinc/20/63/87/1119206387.db2.gz QQZOFAJKUXECLA-MRXNPFEDSA-N 0 1 291.416 3.542 20 0 CHADMN COC[C@H](NCc1ccc(C)c(C)c1)c1cccc(OC)c1 ZINC000657611811 1119206500 /nfs/dbraw/zinc/20/65/00/1119206500.db2.gz QMDVKBAXIKVYCC-IBGZPJMESA-N 0 1 299.414 3.789 20 0 CHADMN COC[C@H](NCc1cccc(C)c1C)c1cccc(OC)c1 ZINC000657610992 1119206892 /nfs/dbraw/zinc/20/68/92/1119206892.db2.gz HSIHCUOFYNCYGG-IBGZPJMESA-N 0 1 299.414 3.789 20 0 CHADMN CCCn1nccc1CN[C@H](c1ccccc1F)C(C)C ZINC000657614413 1119208818 /nfs/dbraw/zinc/20/88/18/1119208818.db2.gz LKVGIJNZVNXUGC-KRWDZBQOSA-N 0 1 289.398 3.919 20 0 CHADMN CCc1nn(C)cc1CN[C@@H](c1ccccc1F)C(C)C ZINC000657614373 1119208969 /nfs/dbraw/zinc/20/89/69/1119208969.db2.gz BVRXKDQVOCVXHN-QGZVFWFLSA-N 0 1 289.398 3.609 20 0 CHADMN COc1cc(CN(Cc2cccc(F)c2)C(C)C)ccn1 ZINC000342858200 1119211079 /nfs/dbraw/zinc/21/10/79/1119211079.db2.gz BMDMXYUEHHBZHX-UHFFFAOYSA-N 0 1 288.366 3.640 20 0 CHADMN COc1cc(CN2CC=C(c3ccc(F)cc3)CC2)ccn1 ZINC000342858736 1119213708 /nfs/dbraw/zinc/21/37/08/1119213708.db2.gz BQCAEFPXNPHIFG-UHFFFAOYSA-N 0 1 298.361 3.519 20 0 CHADMN COCc1csc(CNCc2scnc2C2CC2)c1 ZINC000657659112 1119228177 /nfs/dbraw/zinc/22/81/77/1119228177.db2.gz CYPLEXQVDYUERQ-UHFFFAOYSA-N 0 1 294.445 3.518 20 0 CHADMN COCc1csc(CNCc2cc(C)ccc2F)c1 ZINC000657659160 1119228516 /nfs/dbraw/zinc/22/85/16/1119228516.db2.gz DNUJGSOVMUHBRG-UHFFFAOYSA-N 0 1 279.380 3.632 20 0 CHADMN Cc1cc(Cl)ccc1CNCc1c(C2CC2)cnn1C ZINC000657665673 1119233442 /nfs/dbraw/zinc/23/34/42/1119233442.db2.gz UPIPBIUMCZPJBA-UHFFFAOYSA-N 0 1 289.810 3.549 20 0 CHADMN FC(F)(F)c1cnc(CNCCCC2CCC2)s1 ZINC000657666917 1119233932 /nfs/dbraw/zinc/23/39/32/1119233932.db2.gz NYDPVHDNOCYBDL-UHFFFAOYSA-N 0 1 278.343 3.832 20 0 CHADMN CC1(C)CC([NH3+])CC(C)(C)N1c1cc([S-])cc(S)c1 ZINC001167626604 1119236149 /nfs/dbraw/zinc/23/61/49/1119236149.db2.gz OXOHCKKCSSMPKO-UHFFFAOYSA-N 0 1 296.505 3.749 20 0 CHADMN Fc1ccc2c(c1)nccc2NCCC(F)(F)F ZINC000078591771 1119237931 /nfs/dbraw/zinc/23/79/31/1119237931.db2.gz CDEXUQBKHLEZKT-UHFFFAOYSA-N 0 1 258.218 3.738 20 0 CHADMN Cc1ccc([C@@H](C)C[NH2+]Cc2c(F)ccc([O-])c2F)cc1 ZINC000511208562 1119240276 /nfs/dbraw/zinc/24/02/76/1119240276.db2.gz YHIMRWFHLLOLGG-LBPRGKRZSA-N 0 1 291.341 3.872 20 0 CHADMN Cc1ncc([C@H](C)NCc2cnc(CC(C)C)s2)s1 ZINC000090668647 1119247835 /nfs/dbraw/zinc/24/78/35/1119247835.db2.gz VRCLYVUIEJDWRG-JTQLQIEISA-N 0 1 295.477 3.957 20 0 CHADMN CCOc1cccc2cc([C@@H](C)NCc3c[nH]nc3C)oc21 ZINC000120862121 1119251980 /nfs/dbraw/zinc/25/19/80/1119251980.db2.gz IAPVOEHHCVSOOS-GFCCVEGCSA-N 0 1 299.374 3.714 20 0 CHADMN C[C@@H]1CCC[C@@H](CCN2CCO[C@H](c3ccco3)C2)C1 ZINC001167635925 1119252488 /nfs/dbraw/zinc/25/24/88/1119252488.db2.gz OTCYCQVKUWJGHP-VYDXJSESSA-N 0 1 277.408 3.869 20 0 CHADMN CCOCCN(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000120958379 1119253535 /nfs/dbraw/zinc/25/35/35/1119253535.db2.gz SIJYBMRUJYGVIH-GFCCVEGCSA-N 0 1 270.442 3.604 20 0 CHADMN Cc1cnc(CN[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)s1 ZINC000657703283 1119258686 /nfs/dbraw/zinc/25/86/86/1119258686.db2.gz WAZUGGACWQIZHG-OLZOCXBDSA-N 0 1 294.464 3.667 20 0 CHADMN Cc1ncc(CN2CCC(c3ccccc3F)CC2)o1 ZINC000628181277 1119259791 /nfs/dbraw/zinc/25/97/91/1119259791.db2.gz WXHRATGHHIWDKF-UHFFFAOYSA-N 0 1 274.339 3.502 20 0 CHADMN Cc1ccc(CN2CCSC(C)(C)C2)c(Cl)c1 ZINC001167642097 1119263163 /nfs/dbraw/zinc/26/31/63/1119263163.db2.gz SKDJRHKIVAXNOX-UHFFFAOYSA-N 0 1 269.841 3.976 20 0 CHADMN CC(C)[C@@H](NCc1csc(N(C)C)n1)c1ccccc1 ZINC000091366543 1119263837 /nfs/dbraw/zinc/26/38/37/1119263837.db2.gz XWPNIOHPVKQTSI-OAHLLOKOSA-N 0 1 289.448 3.696 20 0 CHADMN COc1cccc([C@H](C)N[C@@H]2CCCc3cccnc32)c1 ZINC000091661121 1119278110 /nfs/dbraw/zinc/27/81/10/1119278110.db2.gz IYRLQVDPWMKGOV-SUMWQHHRSA-N 0 1 282.387 3.818 20 0 CHADMN COc1cccc([C@@H]2C[C@@H](C)CN2Cc2cnc(C)o2)c1 ZINC000628237093 1128834442 /nfs/dbraw/zinc/83/44/42/1128834442.db2.gz ASLDDZFNIJMZGT-PXAZEXFGSA-N 0 1 286.375 3.575 20 0 CHADMN Cn1ccc(CNCc2ccc(-c3ccc(F)cc3)o2)c1 ZINC000343043147 1119288235 /nfs/dbraw/zinc/28/82/35/1119288235.db2.gz JPJMWSUPWGTPGW-UHFFFAOYSA-N 0 1 284.334 3.714 20 0 CHADMN Cc1ccc(CN2CCc3ccccc3[C@H]2C)cn1 ZINC000153862263 1119292348 /nfs/dbraw/zinc/29/23/48/1119292348.db2.gz BJRCKKDIXDTQSQ-CQSZACIVSA-N 0 1 252.361 3.509 20 0 CHADMN CCc1nc(C)c([C@@H](C)NCc2cnc(C)s2)s1 ZINC000123640078 1119299504 /nfs/dbraw/zinc/29/95/04/1119299504.db2.gz ZRQOVGFDJUQPAP-MRVPVSSYSA-N 0 1 281.450 3.630 20 0 CHADMN Cc1ncc(CN[C@H](C)c2ccc(F)cc2N(C)C)s1 ZINC000123738955 1119301887 /nfs/dbraw/zinc/30/18/87/1119301887.db2.gz OBQQVJKSAVTBRY-SNVBAGLBSA-N 0 1 293.411 3.507 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1cccc(F)c1 ZINC000124292397 1119312546 /nfs/dbraw/zinc/31/25/46/1119312546.db2.gz SNKHTSRYNULZQC-LBPRGKRZSA-N 0 1 289.398 3.936 20 0 CHADMN Cc1nc2ccc(Nc3nc4c(s3)C(=O)CCC4)cc2[nH]1 ZINC001213070605 1128837640 /nfs/dbraw/zinc/83/76/40/1128837640.db2.gz YLALHICOPVUVTG-UHFFFAOYSA-N 0 1 298.371 3.590 20 0 CHADMN C[C@H]1CCCC[C@H]1N(C)Cc1csc(Cl)n1 ZINC000309452449 1119320478 /nfs/dbraw/zinc/32/04/78/1119320478.db2.gz RFVDVYIHHVZLGB-GXSJLCMTSA-N 0 1 258.818 3.807 20 0 CHADMN COc1ccccc1CN[C@@H](c1ccccc1)[C@@H](O)C(C)C ZINC000657742973 1119320622 /nfs/dbraw/zinc/32/06/22/1119320622.db2.gz XRMSRLLECBLHTD-OALUTQOASA-N 0 1 299.414 3.543 20 0 CHADMN CCN(CC)[C@H](CNC(=O)CCCC(C)C)c1ccco1 ZINC000448807533 1119323068 /nfs/dbraw/zinc/32/30/68/1119323068.db2.gz ATRUTXRRSSTNGL-OAHLLOKOSA-N 0 1 294.439 3.605 20 0 CHADMN CCOc1c(Cl)cc(CNC(C)(C)CF)cc1OC ZINC000349857151 1119324391 /nfs/dbraw/zinc/32/43/91/1119324391.db2.gz TZJBKPYBMTVLHX-UHFFFAOYSA-N 0 1 289.778 3.585 20 0 CHADMN C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc(Cl)cn1 ZINC000583254640 1119327153 /nfs/dbraw/zinc/32/71/53/1119327153.db2.gz YFJROVDLTRFOIY-JTQLQIEISA-N 0 1 266.797 3.990 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1ccc(Cl)cn1 ZINC000583254640 1119327156 /nfs/dbraw/zinc/32/71/56/1119327156.db2.gz YFJROVDLTRFOIY-JTQLQIEISA-N 0 1 266.797 3.990 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@H]1CCc2ccccc21 ZINC000092327257 1119328551 /nfs/dbraw/zinc/32/85/51/1119328551.db2.gz PAKVAEWIMAPTGW-BMIGLBTASA-N 0 1 256.349 3.630 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000583267565 1119329639 /nfs/dbraw/zinc/32/96/39/1119329639.db2.gz AAZVINPJSYXJLN-OAHLLOKOSA-N 0 1 279.355 3.608 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2cc3n(n2)CCCC3)cc1 ZINC000647283551 1119332685 /nfs/dbraw/zinc/33/26/85/1119332685.db2.gz DTNUEGGBHLEKOX-GJZGRUSLSA-N 0 1 283.419 3.940 20 0 CHADMN CCCCc1noc(CNC(C)(C)CC(C)(C)C)n1 ZINC000125726667 1119337583 /nfs/dbraw/zinc/33/75/83/1119337583.db2.gz DOTXXYIOOMBQDJ-UHFFFAOYSA-N 0 1 267.417 3.717 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCc3cccnc32)c(C)o1 ZINC000226817948 1119340667 /nfs/dbraw/zinc/34/06/67/1119340667.db2.gz KLEWDMPRVLLGNY-ABAIWWIYSA-N 0 1 256.349 3.630 20 0 CHADMN CCN(CCC(F)(F)F)Cc1ccc(F)c(C)c1 ZINC000092753759 1119347690 /nfs/dbraw/zinc/34/76/90/1119347690.db2.gz TUJWODPDJITYOQ-UHFFFAOYSA-N 0 1 263.278 3.908 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1c(C)noc1C)CC2 ZINC000092837948 1119351026 /nfs/dbraw/zinc/35/10/26/1119351026.db2.gz KWJLZPPZVHUFOZ-QFYYESIMSA-N 0 1 286.375 3.638 20 0 CHADMN CC[N@@H+](Cc1ccoc1)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000092935792 1119351603 /nfs/dbraw/zinc/35/16/03/1119351603.db2.gz NYRWCVAZFUYEPD-UHFFFAOYSA-N 0 1 285.347 3.593 20 0 CHADMN CCN(Cc1ccoc1)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000092935792 1119351605 /nfs/dbraw/zinc/35/16/05/1119351605.db2.gz NYRWCVAZFUYEPD-UHFFFAOYSA-N 0 1 285.347 3.593 20 0 CHADMN C[C@H]1CCC[C@H](C)N(Cc2noc(-c3ccccc3)n2)C1 ZINC000525640923 1119354039 /nfs/dbraw/zinc/35/40/39/1119354039.db2.gz JSRJYNOHPCEDPW-KBPBESRZSA-N 0 1 285.391 3.747 20 0 CHADMN Cc1cccc2c1CC[C@H]2N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647293076 1119359788 /nfs/dbraw/zinc/35/97/88/1119359788.db2.gz RYASNOLWVJKDQQ-RDTXWAMCSA-N 0 1 295.430 3.866 20 0 CHADMN Fc1ccc2oc(CNC[C@H]3CCCCC3(F)F)nc2c1 ZINC000634982428 1119359934 /nfs/dbraw/zinc/35/99/34/1119359934.db2.gz LKBQIBXXGFUSOQ-SNVBAGLBSA-N 0 1 298.308 3.882 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H]1C1CC1)c1nc(C2CCCCC2)no1 ZINC000583526691 1119371981 /nfs/dbraw/zinc/37/19/81/1119371981.db2.gz XBYLEEGIYCYWCT-NILFDRSVSA-N 0 1 289.423 3.957 20 0 CHADMN CC1(C)CN(Cc2cccc3n[nH]cc32)[C@@H]1c1cccnc1 ZINC000628291144 1128842670 /nfs/dbraw/zinc/84/26/70/1128842670.db2.gz PWDYTOPNKMUESX-QGZVFWFLSA-N 0 1 292.386 3.541 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2CCCc3ccc(C)cc32)o1 ZINC000628292236 1128843612 /nfs/dbraw/zinc/84/36/12/1128843612.db2.gz SPIIHGDAHMXLIP-MRXNPFEDSA-N 0 1 270.376 3.767 20 0 CHADMN COCc1cnc(CN2CC[C@@H](CC(C)(C)C)C2)s1 ZINC000449770722 1119403915 /nfs/dbraw/zinc/40/39/15/1119403915.db2.gz DRRCVSPIJQWHHD-LBPRGKRZSA-N 0 1 282.453 3.548 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2cncc(Br)c2)C1 ZINC000168124412 1119405025 /nfs/dbraw/zinc/40/50/25/1119405025.db2.gz SSHKZRYJOSNPDT-LBPRGKRZSA-N 0 1 297.240 3.712 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000583764552 1119408501 /nfs/dbraw/zinc/40/85/01/1119408501.db2.gz LYRMTNOZYRYDHW-CQSZACIVSA-N 0 1 297.398 3.976 20 0 CHADMN c1nc(C2CC2)oc1CN1CCC[C@@H]1c1ccccc1 ZINC000628126675 1119410664 /nfs/dbraw/zinc/41/06/64/1119410664.db2.gz BQYYCDLQDQOFFV-MRXNPFEDSA-N 0 1 268.360 3.889 20 0 CHADMN Cc1nc(CN(C)[C@@H](c2ccccc2Cl)C(C)C)n[nH]1 ZINC000428211913 1119412850 /nfs/dbraw/zinc/41/28/50/1119412850.db2.gz MCYXALPLFOWBII-OAHLLOKOSA-N 0 1 292.814 3.596 20 0 CHADMN Cc1nocc1CN[C@H](c1ccc(C)cc1)C1CC1 ZINC000294156613 1119413317 /nfs/dbraw/zinc/41/33/17/1119413317.db2.gz PCIFJNBXGHLBCD-MRXNPFEDSA-N 0 1 256.349 3.532 20 0 CHADMN C[C@H](NCC[C@@H]1CCc2ccccc2N1)c1cscn1 ZINC000650759539 1119419449 /nfs/dbraw/zinc/41/94/49/1119419449.db2.gz LPZDMTXPRRARDB-JSGCOSHPSA-N 0 1 287.432 3.611 20 0 CHADMN CCCCCCC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000130795707 1119420180 /nfs/dbraw/zinc/42/01/80/1119420180.db2.gz MOICTUIVULLSQD-INIZCTEOSA-N 0 1 294.414 3.515 20 0 CHADMN Cn1cccc1CN[C@H](CC(F)(F)F)c1ccccc1 ZINC000343440103 1119421630 /nfs/dbraw/zinc/42/16/30/1119421630.db2.gz FYIJEMWSVUSXAQ-CQSZACIVSA-N 0 1 282.309 3.808 20 0 CHADMN COc1ccccc1OC[C@@H](C)CNc1cc(C)ccn1 ZINC000343440296 1119421860 /nfs/dbraw/zinc/42/18/60/1119421860.db2.gz NHCLWFYVZCOXKX-AWEZNQCLSA-N 0 1 286.375 3.526 20 0 CHADMN Cc1ccc(-c2cc(-c3nc([C@H]4C[C@H]4C)no3)[nH]n2)cc1C ZINC000583898001 1119431217 /nfs/dbraw/zinc/43/12/17/1119431217.db2.gz WTTNFFVXGLWJIV-YPMHNXCESA-N 0 1 294.358 3.867 20 0 CHADMN Cc1cc(N2CC[C@@H](C3CC3)C2)c2cc(F)ccc2n1 ZINC000343484438 1119431518 /nfs/dbraw/zinc/43/15/18/1119431518.db2.gz PZUWKOJXJMJLQZ-CYBMUJFWSA-N 0 1 270.351 3.919 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CCCC3(CC3)CC2)n1 ZINC000626113686 1119434931 /nfs/dbraw/zinc/43/49/31/1119434931.db2.gz BNKYXUYYQINEGQ-GFCCVEGCSA-N 0 1 263.385 3.520 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccc(C)o1)c1c(C)nn(C)c1C ZINC000158198480 1119436053 /nfs/dbraw/zinc/43/60/53/1119436053.db2.gz YWNDBUZLNDIATI-FZMZJTMJSA-N 0 1 275.396 3.740 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)c3ccccc3)c2C1 ZINC000158273014 1119439086 /nfs/dbraw/zinc/43/90/86/1119439086.db2.gz XVEHZKGZSFCDLI-UHFFFAOYSA-N 0 1 294.398 3.911 20 0 CHADMN CC(C)(C)C1CCN(Cc2ccnc(Cl)c2)CC1 ZINC000052717470 1119445172 /nfs/dbraw/zinc/44/51/72/1119445172.db2.gz QHJMKECXIPQCMI-UHFFFAOYSA-N 0 1 266.816 3.993 20 0 CHADMN CC[C@H](NCc1ccn(C)c1)c1cc(Cl)ccc1OC ZINC000158472750 1119453842 /nfs/dbraw/zinc/45/38/42/1119453842.db2.gz UEKRQPCHKUSOPU-HNNXBMFYSA-N 0 1 292.810 3.928 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN2CCC(c3ccon3)CC2)o1 ZINC000668713989 1119454284 /nfs/dbraw/zinc/45/42/84/1119454284.db2.gz GTYZGNMLYPXGIO-WFASDCNBSA-N 0 1 286.375 3.771 20 0 CHADMN Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000343559615 1119454779 /nfs/dbraw/zinc/45/47/79/1119454779.db2.gz XVWGVCUFEXSJQP-GOSISDBHSA-N 0 1 283.419 3.589 20 0 CHADMN c1ccc([C@@H](NCc2nc3cccnc3s2)C2CC2)cc1 ZINC000343567672 1119457813 /nfs/dbraw/zinc/45/78/13/1119457813.db2.gz WHRCJGXFEUKIOE-MRXNPFEDSA-N 0 1 295.411 3.932 20 0 CHADMN CN(C/C=C/c1ccc(F)cc1F)Cc1ccoc1 ZINC000349977609 1119462835 /nfs/dbraw/zinc/46/28/35/1119462835.db2.gz RLPGJXMNIFRKLZ-NSCUHMNNSA-N 0 1 263.287 3.703 20 0 CHADMN CCC1CCC(N(Cc2cc(C(C)=O)no2)C2CC2)CC1 ZINC000584031874 1119462935 /nfs/dbraw/zinc/46/29/35/1119462935.db2.gz VNNQNICDZNJUQI-UHFFFAOYSA-N 0 1 290.407 3.810 20 0 CHADMN CC[C@@H]1CCCC[C@H]1C[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000692427848 1119467756 /nfs/dbraw/zinc/46/77/56/1119467756.db2.gz TZAUSTBFARATQW-SJORKVTESA-N 0 1 289.419 3.790 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](CC[C@@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000565103020 1119472153 /nfs/dbraw/zinc/47/21/53/1119472153.db2.gz HNUGMLMJOIDBOA-SUMWQHHRSA-N 0 1 287.403 3.508 20 0 CHADMN CCC[C@H]1CCCCN1Cc1ccc(Br)cn1 ZINC000168708176 1119472963 /nfs/dbraw/zinc/47/29/63/1119472963.db2.gz YHGYFYFTNOHZJE-AWEZNQCLSA-N 0 1 297.240 3.999 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@@H](c3ccc(F)cc3)C2)s1 ZINC000283256849 1119473679 /nfs/dbraw/zinc/47/36/79/1119473679.db2.gz VTEQSDMSIYUEEF-GXFFZTMASA-N 0 1 291.395 3.536 20 0 CHADMN CC1(C)C[C@H]1NCc1csc(-c2cccs2)n1 ZINC000343622529 1119473774 /nfs/dbraw/zinc/47/37/74/1119473774.db2.gz LOEVIOZKHVYOOF-LLVKDONJSA-N 0 1 264.419 3.760 20 0 CHADMN CCC(C)(C)[C@H](C)NC(=O)c1ccc(O)c(Cl)c1 ZINC000617572318 1128848771 /nfs/dbraw/zinc/84/87/71/1128848771.db2.gz GCPHMJVGUWVHJG-VIFPVBQESA-N 0 1 269.772 3.600 20 0 CHADMN CC(C)Oc1ccc(CN[C@@H](C)c2cncc(F)c2)cc1 ZINC000134038003 1119479554 /nfs/dbraw/zinc/47/95/54/1119479554.db2.gz KQCJJMOAWXYFQB-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)n1 ZINC000248556092 1119486637 /nfs/dbraw/zinc/48/66/37/1119486637.db2.gz KSGPFAFLKLHYSY-FDYHWXHSSA-N 0 1 297.468 3.798 20 0 CHADMN CCCCOc1ccc(Nc2ccnc(CO)c2)cc1F ZINC001211612718 1119490799 /nfs/dbraw/zinc/49/07/99/1119490799.db2.gz BYOYXIITXHGPDS-UHFFFAOYSA-N 0 1 290.338 3.636 20 0 CHADMN Cc1ncc(CN2C[C@H](C)C[C@H]2c2ccccc2F)o1 ZINC000628180171 1119490928 /nfs/dbraw/zinc/49/09/28/1119490928.db2.gz DWVPHRLMUTUZOJ-BZNIZROVSA-N 0 1 274.339 3.705 20 0 CHADMN CCOc1ccc([C@H](C)N[C@H](C)c2nccnc2C)cc1 ZINC000219088588 1119500051 /nfs/dbraw/zinc/50/00/51/1119500051.db2.gz ZRLYYNCDPZUVQA-GXTWGEPZSA-N 0 1 285.391 3.596 20 0 CHADMN CN(Cc1cccc(O)c1)Cc1cccc(OC(F)F)c1 ZINC000080917528 1119505850 /nfs/dbraw/zinc/50/58/50/1119505850.db2.gz ADEYJQJIZLTMKS-UHFFFAOYSA-N 0 1 293.313 3.626 20 0 CHADMN Cc1[nH]ncc1C(=O)N(C)c1ccc(-c2ccccc2)cc1 ZINC000081121002 1119512138 /nfs/dbraw/zinc/51/21/38/1119512138.db2.gz APQNWRDRFNDLJG-UHFFFAOYSA-N 0 1 291.354 3.662 20 0 CHADMN CC(C)(C)C(F)(F)CNC[C@@]1(C)CCCS1 ZINC000628352938 1128851101 /nfs/dbraw/zinc/85/11/01/1128851101.db2.gz ZZOLJIVHAGRZCE-LLVKDONJSA-N 0 1 251.386 3.543 20 0 CHADMN CCc1noc([C@H](C)[N@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)n1 ZINC000472318878 1119514807 /nfs/dbraw/zinc/51/48/07/1119514807.db2.gz ZFUZBDJSYGPHNY-IJEWVQPXSA-N 0 1 299.418 3.646 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@H](Cc3ccccc3)[C@H]2C)n1 ZINC000472318878 1119514810 /nfs/dbraw/zinc/51/48/10/1119514810.db2.gz ZFUZBDJSYGPHNY-IJEWVQPXSA-N 0 1 299.418 3.646 20 0 CHADMN c1cc(CNCc2ccc(-c3ccccc3)o2)c[nH]1 ZINC000086251345 1119534127 /nfs/dbraw/zinc/53/41/27/1119534127.db2.gz GHUQXQIACJONIF-UHFFFAOYSA-N 0 1 252.317 3.565 20 0 CHADMN COc1cc(F)cc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000628392533 1128852959 /nfs/dbraw/zinc/85/29/59/1128852959.db2.gz RQYSGEKHLLQXMC-PHIMTYICSA-N 0 1 287.325 3.557 20 0 CHADMN C[C@H](N[C@H]1CCc2ccc(F)cc21)c1ccc(F)cn1 ZINC000089552563 1119541903 /nfs/dbraw/zinc/54/19/03/1119541903.db2.gz DVNSQZGLBUCKTE-QFYYESIMSA-N 0 1 274.314 3.698 20 0 CHADMN COc1ccc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)c(F)c1 ZINC000628391914 1128853453 /nfs/dbraw/zinc/85/34/53/1128853453.db2.gz HWOYZEGOUXQJGJ-GHMZBOCLSA-N 0 1 287.325 3.557 20 0 CHADMN Cc1ccc([C@H](NCc2cn3ccsc3n2)C2CC2)cc1 ZINC000091309021 1119554666 /nfs/dbraw/zinc/55/46/66/1119554666.db2.gz YPCPVUZIEPLVHR-INIZCTEOSA-N 0 1 297.427 3.945 20 0 CHADMN CCOc1ccccc1[C@@H](CC)N[C@H]1CCCn2nccc21 ZINC000657865587 1119558633 /nfs/dbraw/zinc/55/86/33/1119558633.db2.gz UVTQOHOETDJUKK-CVEARBPZSA-N 0 1 299.418 3.858 20 0 CHADMN Oc1cccc2c1CC[C@@H]2NCc1cnc(C2CC2)s1 ZINC000134290014 1119559655 /nfs/dbraw/zinc/55/96/55/1119559655.db2.gz AFSDLDLKVFZBQW-AWEZNQCLSA-N 0 1 286.400 3.503 20 0 CHADMN CCc1ncc(CN(CCC(F)(F)F)CC2CC2)s1 ZINC000091901392 1119559878 /nfs/dbraw/zinc/55/98/78/1119559878.db2.gz HWKAFYHKRAJHHK-UHFFFAOYSA-N 0 1 292.370 3.870 20 0 CHADMN Cc1ccc(CNC2(c3ccc(Cl)cc3)CC2)nc1 ZINC000134312724 1119562347 /nfs/dbraw/zinc/56/23/47/1119562347.db2.gz PBLONVVNYDDGDM-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cccc2F)c1ccc(F)cn1 ZINC000092742119 1119565093 /nfs/dbraw/zinc/56/50/93/1119565093.db2.gz ISFYSJGVWBBEDJ-MGPLVRAMSA-N 0 1 274.314 3.698 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@H](C)c1ccc(F)cn1 ZINC000092767737 1119567007 /nfs/dbraw/zinc/56/70/07/1119567007.db2.gz LPZZDOLQVATYBX-BZNIZROVSA-N 0 1 286.350 3.567 20 0 CHADMN Cc1ncsc1CN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000093867589 1119573081 /nfs/dbraw/zinc/57/30/81/1119573081.db2.gz WHOMEICPCNFRBV-IAQYHMDHSA-N 0 1 258.390 3.645 20 0 CHADMN CCOc1cccc(CNCc2cc(F)cc(OC)c2)c1 ZINC000093970648 1119573552 /nfs/dbraw/zinc/57/35/52/1119573552.db2.gz YJPBAQCJLCBTFL-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN CCc1ncc(CN2CCC[C@H]2c2cccc(C)n2)s1 ZINC000093444939 1119574476 /nfs/dbraw/zinc/57/44/76/1119574476.db2.gz QABYPOQNXBIYPJ-HNNXBMFYSA-N 0 1 287.432 3.746 20 0 CHADMN CC(C)CCc1noc(CN(C)C2CCCCCC2)n1 ZINC000142760600 1119581041 /nfs/dbraw/zinc/58/10/41/1119581041.db2.gz UEPOFWVMIXWPRO-UHFFFAOYSA-N 0 1 279.428 3.813 20 0 CHADMN COc1ccnc(CN(C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000157824129 1119591284 /nfs/dbraw/zinc/59/12/84/1119591284.db2.gz CZWXACJBSPTYKW-LJQANCHMSA-N 0 1 294.398 3.742 20 0 CHADMN Cc1ccc([C@H]2[C@@H](C)CCC[N@H+]2Cc2cncnc2)cc1 ZINC000129083191 1119600275 /nfs/dbraw/zinc/60/02/75/1119600275.db2.gz RDYIACFISKBIRQ-MAUKXSAKSA-N 0 1 281.403 3.758 20 0 CHADMN Cc1cc(N2CCC[C@@H]2CF)c2cc(F)ccc2n1 ZINC000338804530 1119601883 /nfs/dbraw/zinc/60/18/83/1119601883.db2.gz AFEOUGQWXGHZSW-GFCCVEGCSA-N 0 1 262.303 3.621 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccccc1)c1cc2cnccc2o1 ZINC000657888897 1119604081 /nfs/dbraw/zinc/60/40/81/1119604081.db2.gz ROESYYRDOPKSLI-CZUORRHYSA-N 0 1 296.370 3.602 20 0 CHADMN C[C@H](CN(C)Cc1nc(-c2cccs2)no1)C(C)(C)C ZINC000685436280 1119607139 /nfs/dbraw/zinc/60/71/39/1119607139.db2.gz KCJMBQCXKWUNIC-LLVKDONJSA-N 0 1 293.436 3.912 20 0 CHADMN c1cncc(CN(Cc2ccc3cnccc3c2)C2CC2)c1 ZINC000685466699 1119611663 /nfs/dbraw/zinc/61/16/63/1119611663.db2.gz AXGAEQHZRIEYRH-UHFFFAOYSA-N 0 1 289.382 3.794 20 0 CHADMN C[C@H](CCc1cccc(F)c1)N1Cc2ccc(O)cc2C1 ZINC000628419259 1128857962 /nfs/dbraw/zinc/85/79/62/1128857962.db2.gz RXWDKYUHOTZYMR-CYBMUJFWSA-N 0 1 285.362 3.868 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(-c2ccccc2C)c1 ZINC000650807186 1119617610 /nfs/dbraw/zinc/61/76/10/1119617610.db2.gz RWHLTFXVSRZYOM-SFHVURJKSA-N 0 1 297.398 3.957 20 0 CHADMN CC[C@H](C(=O)Nc1ccc2nc[nH]c2c1)c1ccc(F)cc1 ZINC000511294614 1119618167 /nfs/dbraw/zinc/61/81/67/1119618167.db2.gz GLEADXKDHJHXLD-AWEZNQCLSA-N 0 1 297.333 3.834 20 0 CHADMN CCOC[C@H]1CCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000093174138 1119619045 /nfs/dbraw/zinc/61/90/45/1119619045.db2.gz MMBJKTHTALMSQZ-LBPRGKRZSA-N 0 1 285.790 3.728 20 0 CHADMN CCOC[C@H]1CCCN(Cc2cccc(F)c2Cl)C1 ZINC000093174138 1119619048 /nfs/dbraw/zinc/61/90/48/1119619048.db2.gz MMBJKTHTALMSQZ-LBPRGKRZSA-N 0 1 285.790 3.728 20 0 CHADMN Cc1nc(C)c(CN[C@H]2c3cccc(F)c3CC[C@@H]2C)o1 ZINC000628226371 1119622081 /nfs/dbraw/zinc/62/20/81/1119622081.db2.gz LBMCMEJGHSSMCD-DYZYQPBXSA-N 0 1 288.366 3.844 20 0 CHADMN COc1ccccc1[C@@H]1CCCN1Cc1oc(C)nc1C ZINC000685562541 1119630489 /nfs/dbraw/zinc/63/04/89/1119630489.db2.gz PQABKRUWSNJVDT-HNNXBMFYSA-N 0 1 286.375 3.637 20 0 CHADMN Cc1nc(C)c(CN2Cc3ccccc3C(C)(C)C2)o1 ZINC000685569338 1119633202 /nfs/dbraw/zinc/63/32/02/1119633202.db2.gz REKBCIRNLIQAHT-UHFFFAOYSA-N 0 1 270.376 3.585 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc2ccccc12 ZINC000685574139 1119633865 /nfs/dbraw/zinc/63/38/65/1119633865.db2.gz VSUDBADISPPHEE-BETUJISGSA-N 0 1 271.385 3.597 20 0 CHADMN CC1(C)CN(Cc2cccc(Cl)c2)[C@H]1[C@H]1CCCO1 ZINC000685587831 1119635324 /nfs/dbraw/zinc/63/53/24/1119635324.db2.gz WQBGMWFGQKHCHN-CABCVRRESA-N 0 1 279.811 3.729 20 0 CHADMN Cc1c[nH]nc1CN[C@H](Cc1ccccc1)c1ccccc1 ZINC000685612217 1119637912 /nfs/dbraw/zinc/63/79/12/1119637912.db2.gz VXZXFHNQBCRXJX-GOSISDBHSA-N 0 1 291.398 3.792 20 0 CHADMN COC[C@H](N[C@@H](C)c1cc2cnccc2o1)c1ccccc1 ZINC000657916586 1119638680 /nfs/dbraw/zinc/63/86/80/1119638680.db2.gz HOHYSAPTFXMVKP-BBRMVZONSA-N 0 1 296.370 3.866 20 0 CHADMN Cc1cn[nH]c1CNc1cc(Br)c(C)cc1C ZINC000685620664 1119639832 /nfs/dbraw/zinc/63/98/32/1119639832.db2.gz HMIYJZASIXLSEK-UHFFFAOYSA-N 0 1 294.196 3.710 20 0 CHADMN CC[C@H](C)c1cccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)c1 ZINC000628431043 1128859773 /nfs/dbraw/zinc/85/97/73/1128859773.db2.gz MXKCYTPXEJJVPZ-GXTWGEPZSA-N 0 1 297.402 3.667 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cnccc2C)cc1O ZINC000685649720 1119644372 /nfs/dbraw/zinc/64/43/72/1119644372.db2.gz UALFIIKWFIIIKS-OLZOCXBDSA-N 0 1 286.375 3.516 20 0 CHADMN FC(F)(F)Cc1ncc(CNCc2cccs2)s1 ZINC000892412982 1119649056 /nfs/dbraw/zinc/64/90/56/1119649056.db2.gz AGRPPJBWCFKWNF-UHFFFAOYSA-N 0 1 292.351 3.599 20 0 CHADMN CC[C@@H](C)c1cccc(NC(=O)C(C)(C)c2cnc[nH]2)c1 ZINC000628431963 1128860146 /nfs/dbraw/zinc/86/01/46/1128860146.db2.gz LSGOQJAWTSSRES-GFCCVEGCSA-N 0 1 285.391 3.840 20 0 CHADMN c1cc(CN2CCN(c3cccc4sccc43)CC2)c[nH]1 ZINC001140707909 1119652567 /nfs/dbraw/zinc/65/25/67/1119652567.db2.gz HYFLETGMFWBIKS-UHFFFAOYSA-N 0 1 297.427 3.552 20 0 CHADMN C[C@@H](NCc1ccccn1)c1ccc(-c2ccncc2)cc1 ZINC000081196549 1119653246 /nfs/dbraw/zinc/65/32/46/1119653246.db2.gz QFXBOUUTNSWISO-OAHLLOKOSA-N 0 1 289.382 3.994 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1cc2cnccc2o1 ZINC000658037606 1119670493 /nfs/dbraw/zinc/67/04/93/1119670493.db2.gz YAHNVFQIGPAXHM-RAIGVLPGSA-N 0 1 262.328 3.759 20 0 CHADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000235359871 1119687830 /nfs/dbraw/zinc/68/78/30/1119687830.db2.gz CCGLGRHACCAQAN-UKRRQHHQSA-N 0 1 289.419 3.669 20 0 CHADMN COc1cccc(OC)c1CN[C@H]1c2ccccc2C[C@@H]1C ZINC000658118458 1119687905 /nfs/dbraw/zinc/68/79/05/1119687905.db2.gz FZGSPFVXEZZLLI-ORAYPTAESA-N 0 1 297.398 3.727 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccccc1)c1ccsc1 ZINC000294420495 1119689949 /nfs/dbraw/zinc/68/99/49/1119689949.db2.gz OFFVGSWWBKNXFG-HUUCEWRRSA-N 0 1 261.390 3.522 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@H+]([C@H](C)c2cccc(Cl)c2)C1 ZINC000300288484 1119691023 /nfs/dbraw/zinc/69/10/23/1119691023.db2.gz SWZSSZGSXIFCAA-MLGOLLRUSA-N 0 1 295.810 3.834 20 0 CHADMN C[C@@H](CN(C)Cc1cn(C2CCC2)nn1)C1CCCCC1 ZINC000628455033 1128862786 /nfs/dbraw/zinc/86/27/86/1128862786.db2.gz GEBQPWFODNGGMK-AWEZNQCLSA-N 0 1 290.455 3.651 20 0 CHADMN C[C@@H](N[C@@H](C)COc1c(F)cccc1F)c1nccs1 ZINC000658177848 1119697142 /nfs/dbraw/zinc/69/71/42/1119697142.db2.gz CSBVBHOMUQYMAW-VHSXEESVSA-N 0 1 298.358 3.539 20 0 CHADMN CCN(Cc1csc(-c2ccc(O)cc2)n1)C(C)C ZINC001237976858 1129234206 /nfs/dbraw/zinc/23/42/06/1129234206.db2.gz AAUDGLKGVNYLTL-UHFFFAOYSA-N 0 1 276.405 3.746 20 0 CHADMN C[C@]1(CN[C@H](c2ccccc2)c2ccccn2)CC1(F)F ZINC000658221174 1119703881 /nfs/dbraw/zinc/70/38/81/1119703881.db2.gz SBTGULHWRFKKMS-HZPDHXFCSA-N 0 1 288.341 3.806 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCc3ccc(O)cc32)c(C)o1 ZINC000658236286 1119709412 /nfs/dbraw/zinc/70/94/12/1119709412.db2.gz ICHFKEQCGPRUSY-GTNSWQLSSA-N 0 1 271.360 3.940 20 0 CHADMN C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1cc2cnccc2o1 ZINC000658239593 1119709982 /nfs/dbraw/zinc/70/99/82/1119709982.db2.gz WMPLOJAQYMLBSA-BZNIZROVSA-N 0 1 294.354 3.872 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](OC(C)(C)C)C12CCC2)c1cscn1 ZINC000658254364 1119714118 /nfs/dbraw/zinc/71/41/18/1119714118.db2.gz PRQDTCSEDSDGHK-YUTCNCBUSA-N 0 1 294.464 3.920 20 0 CHADMN CCC[C@H](NCc1c(C2CCC2)cnn1C)c1cccnc1 ZINC000658268773 1119714309 /nfs/dbraw/zinc/71/43/09/1119714309.db2.gz RCASCUOLHGZRRE-KRWDZBQOSA-N 0 1 298.434 3.714 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C12CCC2)c1nccs1 ZINC000658255544 1119714316 /nfs/dbraw/zinc/71/43/16/1119714316.db2.gz VJBWGWWUGLQVRA-RWMBFGLXSA-N 0 1 294.464 3.920 20 0 CHADMN C[C@H](N[C@H]1C[C@H](OC(C)(C)C)C12CCC2)c1nccs1 ZINC000658255542 1119714337 /nfs/dbraw/zinc/71/43/37/1119714337.db2.gz VJBWGWWUGLQVRA-AVGNSLFASA-N 0 1 294.464 3.920 20 0 CHADMN COc1ccccc1[C@H](C)NCc1c(C2CCC2)cnn1C ZINC000658268526 1119715848 /nfs/dbraw/zinc/71/58/48/1119715848.db2.gz ITCQVXILALZOQO-ZDUSSCGKSA-N 0 1 299.418 3.547 20 0 CHADMN CCn1cc(CN[C@@H](C)c2ccc(Cl)cc2)c(C)n1 ZINC000892430824 1119719311 /nfs/dbraw/zinc/71/93/11/1119719311.db2.gz KYIYCOXEGFBQQI-NSHDSACASA-N 0 1 277.799 3.716 20 0 CHADMN C[C@@H](NCC1=CCCC1)c1ncc(-c2ccccc2)n1C ZINC000658290565 1119719033 /nfs/dbraw/zinc/71/90/33/1119719033.db2.gz BZLGUHOTJDAXMD-CQSZACIVSA-N 0 1 281.403 3.848 20 0 CHADMN CCc1ccc([C@@H](CC)N[C@H](C)c2nccn2C)cc1 ZINC000658335149 1119725924 /nfs/dbraw/zinc/72/59/24/1119725924.db2.gz KMUQVUONEIBALN-CZUORRHYSA-N 0 1 271.408 3.784 20 0 CHADMN Cc1cccc2c1CCC[C@H]2N[C@H]1CCCn2ccnc21 ZINC000658340281 1119728488 /nfs/dbraw/zinc/72/84/88/1119728488.db2.gz NHQSGSNJMGJJTR-SJORKVTESA-N 0 1 281.403 3.694 20 0 CHADMN C[C@@H](O)[C@@H](N[C@@H](C)c1ccc(Cl)cn1)c1ccccc1 ZINC000658363444 1119732168 /nfs/dbraw/zinc/73/21/68/1119732168.db2.gz VQYPTQUOZVKJIS-HWWQOWPSSA-N 0 1 290.794 3.508 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](c2ccccc2)[C@H](C)O)o1 ZINC000658363494 1119732499 /nfs/dbraw/zinc/73/24/99/1119732499.db2.gz WARAQYNEVHHEMH-GDZNZVCISA-N 0 1 273.376 3.615 20 0 CHADMN Cc1cccc([C@H](N[C@@H]2CC23CC3)c2ccccn2)c1 ZINC000926616861 1119734078 /nfs/dbraw/zinc/73/40/78/1119734078.db2.gz VFOICFUCDLGXPJ-SJORKVTESA-N 0 1 264.372 3.622 20 0 CHADMN CC[C@H]1CCCCCN1Cc1cccc(Br)n1 ZINC000310191896 1119734843 /nfs/dbraw/zinc/73/48/43/1119734843.db2.gz YXXFDRLENWFBLV-ZDUSSCGKSA-N 0 1 297.240 3.999 20 0 CHADMN CCC[C@H](NCc1ccc([C@H](C)O)cc1)c1ccccn1 ZINC000179463928 1119738182 /nfs/dbraw/zinc/73/81/82/1119738182.db2.gz RNGFSACHQMKMHG-YOEHRIQHSA-N 0 1 284.403 3.766 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1)c1ccnnc1 ZINC000924530555 1119740281 /nfs/dbraw/zinc/74/02/81/1119740281.db2.gz ICJIBKAKGSQGEE-GHMZBOCLSA-N 0 1 295.308 3.907 20 0 CHADMN CC(C)[C@H](NCc1nccn1C1CC1)c1ccc(F)cc1 ZINC000892469919 1119747039 /nfs/dbraw/zinc/74/70/39/1119747039.db2.gz YPRUJOMXTOOOJU-KRWDZBQOSA-N 0 1 287.382 3.844 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2cc(C)ns2)cc1 ZINC000404474204 1119754625 /nfs/dbraw/zinc/75/46/25/1119754625.db2.gz OUIUPULLYKTGDC-GFCCVEGCSA-N 0 1 276.405 3.701 20 0 CHADMN O=C(/C=C/c1cccs1)Nc1cccc(Cl)c1O ZINC000179724011 1119758563 /nfs/dbraw/zinc/75/85/63/1119758563.db2.gz XUFVQZYGVYPQEP-VOTSOKGWSA-N 0 1 279.748 3.759 20 0 CHADMN CCOc1ccccc1[C@H](CC)NC/C=C/Cl ZINC000179752799 1119758828 /nfs/dbraw/zinc/75/88/28/1119758828.db2.gz YJZMBAWJOITULI-RSPDNQDQSA-N 0 1 253.773 3.879 20 0 CHADMN CC(C)c1nnc(CNCCC2=CCCCC2)s1 ZINC000892478997 1119761506 /nfs/dbraw/zinc/76/15/06/1119761506.db2.gz UVICHFDZHRBLIF-UHFFFAOYSA-N 0 1 265.426 3.642 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1cnc(C)o1 ZINC000628252179 1119761930 /nfs/dbraw/zinc/76/19/30/1119761930.db2.gz KKXACHPFCRLCRO-UKTHLTGXSA-N 0 1 256.349 3.518 20 0 CHADMN CCc1ccc([C@H](NCc2nccn2CC)C(C)C)cc1 ZINC000051921247 1119764078 /nfs/dbraw/zinc/76/40/78/1119764078.db2.gz MWSHLTPGVTUUHV-GOSISDBHSA-N 0 1 285.435 3.952 20 0 CHADMN CCn1ccnc1CN[C@@H](C)c1cccc2ccccc21 ZINC000051921149 1119764626 /nfs/dbraw/zinc/76/46/26/1119764626.db2.gz NSEDAEJQVMJLCU-AWEZNQCLSA-N 0 1 279.387 3.907 20 0 CHADMN Clc1ccnc2c1CC[C@H]2NCc1ccccc1 ZINC000924542479 1119784271 /nfs/dbraw/zinc/78/42/71/1119784271.db2.gz MCUFGZSOFNQMSQ-CQSZACIVSA-N 0 1 258.752 3.512 20 0 CHADMN C[C@@H](c1cccc(Br)c1)N1C[C@@H](C)[C@@H]1C ZINC000584483484 1119792263 /nfs/dbraw/zinc/79/22/63/1119792263.db2.gz PBTPCWQRTVWKMH-VWYCJHECSA-N 0 1 268.198 3.850 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)N1CC2(CCC2)c2ccccc21 ZINC000375956469 1119793394 /nfs/dbraw/zinc/79/33/94/1119793394.db2.gz XIOBLUCMQMYKIH-UHFFFAOYSA-N 0 1 295.386 3.615 20 0 CHADMN C/C=C\C[C@@H]1CCCN(Cc2nc(C)cs2)C1 ZINC000626162466 1119794196 /nfs/dbraw/zinc/79/41/96/1119794196.db2.gz UXPTXQWRWWOZQL-DHCBQETCSA-N 0 1 250.411 3.630 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnnn1-c1ccccc1)c1cccs1 ZINC000924549222 1119798713 /nfs/dbraw/zinc/79/87/13/1119798713.db2.gz SKIKVNHUROFGOV-QWHCGFSZSA-N 0 1 298.415 3.741 20 0 CHADMN Cc1ccccc1C(C)(C)C(=O)NOC1CCCCC1 ZINC000779318157 1128870559 /nfs/dbraw/zinc/87/05/59/1128870559.db2.gz WYQQRUPLXAAQKS-UHFFFAOYSA-N 0 1 275.392 3.653 20 0 CHADMN CCC(O)(CC)C(C)(C)CN[C@@H]1CCCc2oc(C)nc21 ZINC000926687389 1119810034 /nfs/dbraw/zinc/81/00/34/1119810034.db2.gz VKMJSDKHJBRYCY-CYBMUJFWSA-N 0 1 294.439 3.527 20 0 CHADMN C[C@@H](NCc1ccccc1F)c1ccnc(Cl)c1 ZINC000153938916 1119814788 /nfs/dbraw/zinc/81/47/88/1119814788.db2.gz GHVZJZHLANHALT-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN COc1nccc(CN[C@@H](C)c2cc(C)sc2C)c1F ZINC000892510409 1119816257 /nfs/dbraw/zinc/81/62/57/1119816257.db2.gz XIUGUTDYLYSDGH-JTQLQIEISA-N 0 1 294.395 3.758 20 0 CHADMN CC(C)Oc1ccccc1CN[C@@H](c1ccccc1)[C@@H](C)O ZINC000668786393 1119825806 /nfs/dbraw/zinc/82/58/06/1119825806.db2.gz AJUKGGCLIIWCRR-DNVCBOLYSA-N 0 1 299.414 3.686 20 0 CHADMN Cc1c[nH]c(CN2CC(C)(C)C[C@@H]2c2ccccc2)n1 ZINC000628319565 1119829130 /nfs/dbraw/zinc/82/91/30/1119829130.db2.gz VBRNTOVUNXKFSG-OAHLLOKOSA-N 0 1 269.392 3.691 20 0 CHADMN CC[C@]1(NCc2csc(Cl)c2Cl)CCOC1 ZINC000309590944 1119829718 /nfs/dbraw/zinc/82/97/18/1119829718.db2.gz UTKJCCKKSFQEEA-NSHDSACASA-N 0 1 280.220 3.714 20 0 CHADMN COCc1csc(CN[C@H](C)c2cc(O)cc(F)c2)c1 ZINC000926705276 1119832932 /nfs/dbraw/zinc/83/29/32/1119832932.db2.gz RWSMVKFOJREXMB-SNVBAGLBSA-N 0 1 295.379 3.590 20 0 CHADMN CC[C@@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)[C@H](CC)CO1 ZINC000628324494 1119834037 /nfs/dbraw/zinc/83/40/37/1119834037.db2.gz WHOUMESQWOXBSM-HZPDHXFCSA-N 0 1 272.392 3.557 20 0 CHADMN Clc1ccnc2c1CC[C@H]2NCc1cccs1 ZINC000924560007 1119835513 /nfs/dbraw/zinc/83/55/13/1119835513.db2.gz NVHKZLWWGHGFHC-GFCCVEGCSA-N 0 1 264.781 3.574 20 0 CHADMN COc1ccc([C@H](NCc2ccc(C)cn2)C2CC2)cc1 ZINC000133693974 1119845360 /nfs/dbraw/zinc/84/53/60/1119845360.db2.gz TVNZVCVVEZMFOV-GOSISDBHSA-N 0 1 282.387 3.640 20 0 CHADMN CC(C)(CC(F)(F)F)C(=O)Nc1cccc(Cl)c1O ZINC000613036495 1119852869 /nfs/dbraw/zinc/85/28/69/1119852869.db2.gz YBYMVUYJMQFTQP-UHFFFAOYSA-N 0 1 295.688 3.963 20 0 CHADMN CC(C)(C)[C@H]1C[C@@H](Nc2ccc3c[nH]nc3c2)CCO1 ZINC000721613391 1119853729 /nfs/dbraw/zinc/85/37/29/1119853729.db2.gz LTDLAYAUJHTPLE-DZGCQCFKSA-N 0 1 273.380 3.569 20 0 CHADMN CO[C@@H]1CCCN(Cc2cscc2C(F)(F)F)CC1 ZINC000685843650 1119862410 /nfs/dbraw/zinc/86/24/10/1119862410.db2.gz OLILXWKUIFBVSL-LLVKDONJSA-N 0 1 293.354 3.768 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccn(C)n1)c1ccc(C)cc1 ZINC000414047093 1119865229 /nfs/dbraw/zinc/86/52/29/1119865229.db2.gz BKMQOVWHBPAYPG-DZGCQCFKSA-N 0 1 257.381 3.530 20 0 CHADMN CC[C@@H](N[C@H](C)c1cc2n(n1)CCC2)c1ccc(C)cc1 ZINC000414050307 1119866830 /nfs/dbraw/zinc/86/68/30/1119866830.db2.gz HJAKRWCUDGIREE-RHSMWYFYSA-N 0 1 283.419 3.940 20 0 CHADMN CC1(C)C[N@@H+](Cc2nccc3ccccc32)[C@H]1[C@@H]1CCCO1 ZINC000685849609 1119869279 /nfs/dbraw/zinc/86/92/79/1119869279.db2.gz QOKFHBWDTISHAQ-ROUUACIJSA-N 0 1 296.414 3.624 20 0 CHADMN CC(C)c1nc(CSc2nc(-c3ccccc3)c[nH]2)n[nH]1 ZINC000644101591 1119874440 /nfs/dbraw/zinc/87/44/40/1119874440.db2.gz MONRDKRSXLGPLY-UHFFFAOYSA-N 0 1 299.403 3.611 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)C1CCC1)c1ccn(C)n1 ZINC000414087090 1119890582 /nfs/dbraw/zinc/89/05/82/1119890582.db2.gz ZZCLBQAKXXJLSF-GUYCJALGSA-N 0 1 269.392 3.612 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cccc3c2OCO3)c1C ZINC000926734767 1119894898 /nfs/dbraw/zinc/89/48/98/1119894898.db2.gz SXECXRYNPAYXSV-ZDUSSCGKSA-N 0 1 299.370 3.583 20 0 CHADMN Cc1cccc2nc(-c3cnc(-c4ccccc4)nc3)[nH]c21 ZINC000613291549 1119898244 /nfs/dbraw/zinc/89/82/44/1119898244.db2.gz HPDITGPOOZXXTO-UHFFFAOYSA-N 0 1 286.338 3.995 20 0 CHADMN C[C@@H](N[C@H]1CCSC1)c1csc(-c2ccccc2)n1 ZINC000414101731 1119898564 /nfs/dbraw/zinc/89/85/64/1119898564.db2.gz WPQMQODCYWWVLA-YPMHNXCESA-N 0 1 290.457 3.966 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2CC[C@@H]1C)c1cc2n(n1)CCC2 ZINC000414112853 1119903098 /nfs/dbraw/zinc/90/30/98/1119903098.db2.gz YGEVGRUWJZGOMA-NJSLBKSFSA-N 0 1 295.430 3.804 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2cc3n(n2)CCC3)c1 ZINC000414129832 1119909570 /nfs/dbraw/zinc/90/95/70/1119909570.db2.gz VMKRCXZVSINGFP-CABCVRRESA-N 0 1 283.419 3.858 20 0 CHADMN Cc1ccc(SC[C@@H](C)N[C@H](C)c2ccn(C)n2)cc1 ZINC000414131751 1119911602 /nfs/dbraw/zinc/91/16/02/1119911602.db2.gz LENGKEVNKMLLFK-ZIAGYGMSSA-N 0 1 289.448 3.560 20 0 CHADMN CC(C)C[N@@H+](Cc1cccc(C(=O)[O-])c1Cl)C(C)C ZINC000381596724 1119915518 /nfs/dbraw/zinc/91/55/18/1119915518.db2.gz FOGZZSLHKRICKP-UHFFFAOYSA-N 0 1 283.799 3.905 20 0 CHADMN CCCCc1noc(CN2CC[C@H](C)[C@H]3CCCC[C@H]32)n1 ZINC000613415292 1119918852 /nfs/dbraw/zinc/91/88/52/1119918852.db2.gz CWSCSMUVEOVEQS-RRFJBIMHSA-N 0 1 291.439 3.813 20 0 CHADMN C[C@@H]1CCN(Cc2nc(C(C)(C)C)no2)[C@@H]2CCCC[C@H]12 ZINC000613416033 1119919096 /nfs/dbraw/zinc/91/90/96/1119919096.db2.gz PNKCZNJMTPWYOV-MGPQQGTHSA-N 0 1 291.439 3.768 20 0 CHADMN COc1ccccc1CN(CC=C(C)C)C[C@@H]1CCCO1 ZINC000613421409 1119919627 /nfs/dbraw/zinc/91/96/27/1119919627.db2.gz IRQPFZKBWZSVDX-KRWDZBQOSA-N 0 1 289.419 3.642 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc3c(c2)COC3)nc1C ZINC000414171343 1119925884 /nfs/dbraw/zinc/92/58/84/1119925884.db2.gz UQCJTIYIWRKTMD-CQSZACIVSA-N 0 1 282.387 3.579 20 0 CHADMN COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1cnc(C)o1 ZINC000414187364 1119931761 /nfs/dbraw/zinc/93/17/61/1119931761.db2.gz QKTOBNBGLNSHKH-MRXNPFEDSA-N 0 1 286.375 3.504 20 0 CHADMN CCCC[C@@H](NCc1ccn(CC)n1)c1ccccc1 ZINC000414212920 1119941801 /nfs/dbraw/zinc/94/18/01/1119941801.db2.gz TULALJYAPSMKAQ-QGZVFWFLSA-N 0 1 271.408 3.924 20 0 CHADMN CCn1ccc(CN[C@H](CC2CCC2)c2ccccc2)n1 ZINC000414213983 1119942125 /nfs/dbraw/zinc/94/21/25/1119942125.db2.gz VFWDXKSMIHZCMA-GOSISDBHSA-N 0 1 283.419 3.924 20 0 CHADMN CCC1CCN(CC(=O)Nc2cccc(C(C)C)c2)CC1 ZINC000613503128 1119945183 /nfs/dbraw/zinc/94/51/83/1119945183.db2.gz VOIZZEKGBSAXPH-UHFFFAOYSA-N 0 1 288.435 3.871 20 0 CHADMN C[C@H](NCc1cnccc1C(C)(C)C)c1cncc(F)c1 ZINC000414223101 1119945656 /nfs/dbraw/zinc/94/56/56/1119945656.db2.gz FZCIXLKCLRQXNW-LBPRGKRZSA-N 0 1 287.382 3.764 20 0 CHADMN Cc1cncc([C@H](C)NCc2cnc3ccccc3c2)c1 ZINC000343829867 1119954163 /nfs/dbraw/zinc/95/41/63/1119954163.db2.gz DEKKVYPLELCBLH-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN Cc1cccc(CNCc2ccc(C(F)F)c(F)c2)n1 ZINC000892594563 1119964831 /nfs/dbraw/zinc/96/48/31/1119964831.db2.gz BOTAVQZFJULLTF-UHFFFAOYSA-N 0 1 280.293 3.757 20 0 CHADMN Cc1ccc(CN[C@H](c2ccc(Cl)cc2)C(C)C)nn1 ZINC000414279345 1119964975 /nfs/dbraw/zinc/96/49/75/1119964975.db2.gz JCOJMUBUDCCUQZ-INIZCTEOSA-N 0 1 289.810 3.925 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCCC[C@H]2F)c1 ZINC000414287016 1119967202 /nfs/dbraw/zinc/96/72/02/1119967202.db2.gz NWVVQVFSHJOUAU-IUIKQTSFSA-N 0 1 278.371 3.576 20 0 CHADMN CSc1ccccc1C[C@H](C)N[C@H](C)c1csnn1 ZINC000414293453 1119969497 /nfs/dbraw/zinc/96/94/97/1119969497.db2.gz CTEFGUYGKHKMKB-WDEREUQCSA-N 0 1 293.461 3.542 20 0 CHADMN Cc1ccc(CN[C@H](c2ccc(F)cc2)C(C)(C)C)nn1 ZINC000414296852 1119971416 /nfs/dbraw/zinc/97/14/16/1119971416.db2.gz HHWNYCDKLVNQCU-MRXNPFEDSA-N 0 1 287.382 3.801 20 0 CHADMN C[C@H](N[C@@H]1CC[C@H](c2ccccc2)C1)c1csnn1 ZINC000414296816 1119971444 /nfs/dbraw/zinc/97/14/44/1119971444.db2.gz GXDQPQTUQQEIFV-FPMFFAJLSA-N 0 1 273.405 3.525 20 0 CHADMN CCc1ncc(CNCc2ccc(C(C)(C)C)cc2)cn1 ZINC000414301584 1119971650 /nfs/dbraw/zinc/97/16/50/1119971650.db2.gz NHMGWNWEQXIYNZ-UHFFFAOYSA-N 0 1 283.419 3.626 20 0 CHADMN Cc1cccc([C@@H](N[C@H](C)c2cn(C)cn2)C(C)C)c1 ZINC000926763105 1119972126 /nfs/dbraw/zinc/97/21/26/1119972126.db2.gz SGINBCWFKMSYTC-PBHICJAKSA-N 0 1 271.408 3.776 20 0 CHADMN CCSc1cccc(CNc2nccn2CC)c1 ZINC000414304855 1119974916 /nfs/dbraw/zinc/97/49/16/1119974916.db2.gz RGPUSINAOIXMHB-UHFFFAOYSA-N 0 1 261.394 3.627 20 0 CHADMN CCn1ccnc1NCc1ccc(C(F)(F)F)cc1C ZINC000414309599 1119975375 /nfs/dbraw/zinc/97/53/75/1119975375.db2.gz YEHLWFLMTOQLEF-UHFFFAOYSA-N 0 1 283.297 3.842 20 0 CHADMN Cc1nc2c(Cl)cccc2c(NC[C@H](C)CO)c1C ZINC000685905038 1119975635 /nfs/dbraw/zinc/97/56/35/1119975635.db2.gz STGBTTYSYZUBHX-VIFPVBQESA-N 0 1 278.783 3.545 20 0 CHADMN CCCOc1ccc(CNCc2cnc(F)cc2C)cc1 ZINC000892608316 1119976631 /nfs/dbraw/zinc/97/66/31/1119976631.db2.gz PUMNFTZOTTWYOX-UHFFFAOYSA-N 0 1 288.366 3.608 20 0 CHADMN CC(C)CCC[C@@H](C)NCc1nnc(C2CC2)s1 ZINC000414326948 1119985792 /nfs/dbraw/zinc/98/57/92/1119985792.db2.gz OFZXEEZBQGRPTG-LLVKDONJSA-N 0 1 267.442 3.720 20 0 CHADMN Cc1cccc(C2(NCc3ccc(C)nn3)CCCC2)c1 ZINC000414334948 1119988283 /nfs/dbraw/zinc/98/82/83/1119988283.db2.gz GSJOUNPPTUTWAF-UHFFFAOYSA-N 0 1 281.403 3.653 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccc(F)cc2)C2CCC2)nn1 ZINC000414335681 1119988863 /nfs/dbraw/zinc/98/88/63/1119988863.db2.gz YGGDPMCHZNIRIR-QGZVFWFLSA-N 0 1 285.366 3.555 20 0 CHADMN c1coc([C@@H]2C[C@H]2N[C@H](c2ncc[nH]2)C2CCCCC2)c1 ZINC000414340302 1119990097 /nfs/dbraw/zinc/99/00/97/1119990097.db2.gz GULLDQMJLHNNGB-FMKPAKJESA-N 0 1 285.391 3.770 20 0 CHADMN Cc1c(F)ccc(CN(C)CCc2cccnc2)c1Cl ZINC001236717259 1128882300 /nfs/dbraw/zinc/88/23/00/1128882300.db2.gz CUHYQXPKAOOJLZ-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN COc1ccc(CN2CCCC23CC3)c(C(F)(F)F)c1 ZINC001143472296 1119994900 /nfs/dbraw/zinc/99/49/00/1119994900.db2.gz CMCIUWJLSMMNQP-UHFFFAOYSA-N 0 1 285.309 3.842 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@@H](CO)c1cccc(F)c1 ZINC000537981423 1119996623 /nfs/dbraw/zinc/99/66/23/1119996623.db2.gz KWZNDCIWDAWHDU-DYVFJYSZSA-N 0 1 273.351 3.518 20 0 CHADMN CCc1ncc(CN(CC)Cc2ccc(Cl)cc2)cn1 ZINC000414370943 1120002964 /nfs/dbraw/zinc/00/29/64/1120002964.db2.gz MJOKEGRZEPUNID-UHFFFAOYSA-N 0 1 289.810 3.715 20 0 CHADMN Cc1ccc(CN([C@H](C)c2ccccc2)C2CC2)nn1 ZINC000414371265 1120003141 /nfs/dbraw/zinc/00/31/41/1120003141.db2.gz MSXNVPGQIZWWHQ-CQSZACIVSA-N 0 1 267.376 3.511 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1c(C)cc(C(F)(F)F)cc1C ZINC000636436044 1120003971 /nfs/dbraw/zinc/00/39/71/1120003971.db2.gz LPBIDIFQDSKUME-UHFFFAOYSA-N 0 1 297.280 3.606 20 0 CHADMN CC(C)(C)c1n[nH]cc1C(=O)Nc1cscc1Cl ZINC000636438427 1120008332 /nfs/dbraw/zinc/00/83/32/1120008332.db2.gz XZVGOZVADIPORS-UHFFFAOYSA-N 0 1 283.784 3.674 20 0 CHADMN CCOC(=O)/C=C/CN1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001167704987 1120014502 /nfs/dbraw/zinc/01/45/02/1120014502.db2.gz FWVRERWKQJSQAO-CJEONANGSA-N 0 1 299.414 3.507 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1cccc(C)c1 ZINC000642603621 1120021479 /nfs/dbraw/zinc/02/14/79/1120021479.db2.gz KMNPLCKXAISXKL-UHFFFAOYSA-N 0 1 291.354 3.946 20 0 CHADMN C[C@H](Sc1n[nH]c(CCC2CCCC2)n1)C(F)(F)F ZINC000134589489 1120022959 /nfs/dbraw/zinc/02/29/59/1120022959.db2.gz YLVWPXRTFIRGAK-QMMMGPOBSA-N 0 1 293.358 3.970 20 0 CHADMN C[C@H](Sc1nc(CCC2CCCC2)n[nH]1)C(F)(F)F ZINC000134589489 1120022963 /nfs/dbraw/zinc/02/29/63/1120022963.db2.gz YLVWPXRTFIRGAK-QMMMGPOBSA-N 0 1 293.358 3.970 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cccc(O)c2)cc1F ZINC000106410111 1120052823 /nfs/dbraw/zinc/05/28/23/1120052823.db2.gz GDMNGOBOWHRQAV-LBPRGKRZSA-N 0 1 259.324 3.691 20 0 CHADMN Cc1cc(CNCc2nccc3c2CCCC3)cc(C)c1O ZINC000921653197 1120054562 /nfs/dbraw/zinc/05/45/62/1120054562.db2.gz JEMPMHOWSPRZKY-UHFFFAOYSA-N 0 1 296.414 3.573 20 0 CHADMN CCc1ccc(-c2noc(CN[C@H]3CCC3(C)C)n2)cc1 ZINC000580208799 1120066743 /nfs/dbraw/zinc/06/67/43/1120066743.db2.gz NSFRJVJWTXWWJK-AWEZNQCLSA-N 0 1 285.391 3.577 20 0 CHADMN CC1(C)CN(Cc2c(N)cccc2F)Cc2ccccc21 ZINC001140876519 1120067153 /nfs/dbraw/zinc/06/71/53/1120067153.db2.gz BIJQTQMBHXKAOW-UHFFFAOYSA-N 0 1 284.378 3.701 20 0 CHADMN CN(Cc1cc(F)c(C(F)(F)F)c(F)c1)C1CC1 ZINC001140878402 1120069120 /nfs/dbraw/zinc/06/91/20/1120069120.db2.gz WSLUKYPNPTZZMH-UHFFFAOYSA-N 0 1 265.225 3.578 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)CC1CCCCC1 ZINC000091781218 1120076542 /nfs/dbraw/zinc/07/65/42/1120076542.db2.gz LNIZBFPILNKQQN-LLVKDONJSA-N 0 1 265.353 3.551 20 0 CHADMN CC[C@@H](N[C@@H](c1ccccc1)C1CC1)c1ccn(C)n1 ZINC000542671890 1120082709 /nfs/dbraw/zinc/08/27/09/1120082709.db2.gz YLEQERSAPOSQNJ-WBVHZDCISA-N 0 1 269.392 3.612 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc3ccccc3c2)[nH]n1 ZINC000589636429 1120086014 /nfs/dbraw/zinc/08/60/14/1120086014.db2.gz PRXFGBBLOAJNER-CYBMUJFWSA-N 0 1 265.360 3.722 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC2(C1)CCCCC2 ZINC000312901448 1120097166 /nfs/dbraw/zinc/09/71/66/1120097166.db2.gz SHWPIXKRHJHEQA-UHFFFAOYSA-N 0 1 273.376 3.541 20 0 CHADMN C[C@@H]1CN(C(=O)c2ccc(O)c(Cl)c2)[C@@H]2CCCC[C@@H]21 ZINC000180530269 1120099618 /nfs/dbraw/zinc/09/96/18/1120099618.db2.gz KJJYAIAEKQNNKB-MPKXVKKWSA-N 0 1 293.794 3.696 20 0 CHADMN COC[C@H](CC(C)(C)C)[NH2+]Cc1cccc([O-])c1Cl ZINC000655843095 1120101155 /nfs/dbraw/zinc/10/11/55/1120101155.db2.gz PUKIRWBLWDQJHB-LBPRGKRZSA-N 0 1 285.815 3.586 20 0 CHADMN CCC(CC)(CO)CN[C@H](c1ccccc1)c1ccccn1 ZINC000181010904 1120101548 /nfs/dbraw/zinc/10/15/48/1120101548.db2.gz NPYRZGVTIGILKO-GOSISDBHSA-N 0 1 298.430 3.559 20 0 CHADMN CN(CCCOc1ccc(F)cc1)Cc1ccccc1F ZINC000058016154 1120106265 /nfs/dbraw/zinc/10/62/65/1120106265.db2.gz DLIMSERIGFYGRF-UHFFFAOYSA-N 0 1 291.341 3.866 20 0 CHADMN C[C@H](NCCOCC1CC1)c1c(F)cccc1Cl ZINC000181740329 1120107267 /nfs/dbraw/zinc/10/72/67/1120107267.db2.gz QRGGMHSHGSFDMR-JTQLQIEISA-N 0 1 271.763 3.556 20 0 CHADMN COc1ccc([C@H](N[C@@H](C)c2cc(C)n(C)n2)C2CC2)cc1 ZINC000282299313 1120110161 /nfs/dbraw/zinc/11/01/61/1120110161.db2.gz SNQOBYSXXNBMRT-SCLBCKFNSA-N 0 1 299.418 3.539 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC1=CCCC1 ZINC000659793435 1120110462 /nfs/dbraw/zinc/11/04/62/1120110462.db2.gz YGVVDZHZXDHACZ-INIZCTEOSA-N 0 1 273.376 3.635 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000659802939 1120113081 /nfs/dbraw/zinc/11/30/81/1120113081.db2.gz AIJYWQWUCZDHBZ-TZMCWYRMSA-N 0 1 299.370 3.701 20 0 CHADMN C[N@H+](Cc1ccccc1C(=O)[O-])C[C@@H]1CCc2ccccc21 ZINC000659803187 1120113576 /nfs/dbraw/zinc/11/35/76/1120113576.db2.gz FSQRSFLEFZNHNA-INIZCTEOSA-N 0 1 295.382 3.547 20 0 CHADMN COc1cc(C[N@@H+](C)Cc2csc(C)c2C)ccc1O ZINC000637890785 1129234687 /nfs/dbraw/zinc/23/46/87/1129234687.db2.gz WXKAHQWXGGKUMB-UHFFFAOYSA-N 0 1 291.416 3.711 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1ccncc1F ZINC000449180223 1128891251 /nfs/dbraw/zinc/89/12/51/1128891251.db2.gz YXSPXNJIMCEQFA-PIGZYNQJSA-N 0 1 288.341 3.773 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(C(=O)[O-])cc2F)[C@H]2CCC[C@@H]21 ZINC000393458798 1120115272 /nfs/dbraw/zinc/11/52/72/1120115272.db2.gz ITFDXZMYHXAXEG-ZFWWWQNUSA-N 0 1 291.366 3.534 20 0 CHADMN c1coc(CN(Cc2ccco2)C[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000659810777 1120115308 /nfs/dbraw/zinc/11/53/08/1120115308.db2.gz OHJWQROWBHWNHM-QDMKHBRRSA-N 0 1 271.360 3.921 20 0 CHADMN Cc1nc(CN2CCC(Cc3ccccc3)CC2)c(C)o1 ZINC000659814823 1120116190 /nfs/dbraw/zinc/11/61/90/1120116190.db2.gz WQLWLKCFHPDETB-UHFFFAOYSA-N 0 1 284.403 3.746 20 0 CHADMN COc1ccc(F)cc1CN[C@@H](C)c1ccc(C)cc1 ZINC000182332521 1120117295 /nfs/dbraw/zinc/11/72/95/1120117295.db2.gz OBKBPLATHTYFHQ-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN C[C@H]1CCc2c(F)cccc2[C@H]1NCc1ccncc1F ZINC000449180222 1128891545 /nfs/dbraw/zinc/89/15/45/1128891545.db2.gz YXSPXNJIMCEQFA-GTNSWQLSSA-N 0 1 288.341 3.773 20 0 CHADMN COc1ccc([C@H]2CCCN2Cc2cc(C3CC3)no2)cc1 ZINC000659828227 1120120749 /nfs/dbraw/zinc/12/07/49/1120120749.db2.gz AUXQSEVYOXIZJD-GOSISDBHSA-N 0 1 298.386 3.898 20 0 CHADMN CCC[N@@H+](CC1CCCCC1)[C@H](C(=O)[O-])[C@@H](C)CC ZINC000903595031 1120121988 /nfs/dbraw/zinc/12/19/88/1120121988.db2.gz IPZLMSNAODBJPT-ZFWWWQNUSA-N 0 1 269.429 3.778 20 0 CHADMN CC1(C)[C@@H]2C[N@H+](C/C=C/c3ccc(F)cc3F)C[C@@H]21 ZINC000542702099 1120122830 /nfs/dbraw/zinc/12/28/30/1120122830.db2.gz CBTJIFCQDIQCOK-ISANGGDFSA-N 0 1 263.331 3.566 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2ccc(Cl)s2)C[C@@H]1O ZINC000542705782 1120123306 /nfs/dbraw/zinc/12/33/06/1120123306.db2.gz GHZJDVVIEBBJKY-RYUDHWBXSA-N 0 1 287.856 3.630 20 0 CHADMN Fc1cnccc1CN1CCCC[C@H]1c1ccccc1 ZINC000449244264 1128892681 /nfs/dbraw/zinc/89/26/81/1128892681.db2.gz RDPYTKYACAEQSK-KRWDZBQOSA-N 0 1 270.351 3.948 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(Br)o2)cc1 ZINC000378915541 1120140963 /nfs/dbraw/zinc/14/09/63/1120140963.db2.gz MLAFZBPBJZRAKZ-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN CCn1cc(CNC2(c3ccc(F)cc3)CCC2)c(C)n1 ZINC000892786937 1120142242 /nfs/dbraw/zinc/14/22/42/1120142242.db2.gz XSJCFTRTIZMXON-UHFFFAOYSA-N 0 1 287.382 3.520 20 0 CHADMN CSCCCN(C)[C@@H](C)c1c(F)cccc1F ZINC000362462863 1120143240 /nfs/dbraw/zinc/14/32/40/1120143240.db2.gz CDIIRUJVYOWORS-JTQLQIEISA-N 0 1 259.365 3.711 20 0 CHADMN CC[C@H](CN[C@H](C)c1ncc[nH]1)Oc1cccc(Cl)c1 ZINC000353629412 1120148885 /nfs/dbraw/zinc/14/88/85/1120148885.db2.gz FSBFLDUNAXLYCC-DGCLKSJQSA-N 0 1 293.798 3.571 20 0 CHADMN Cc1ccc2nc(SCc3ccc(N(C)C)nc3)[nH]c2c1 ZINC000629088941 1128894419 /nfs/dbraw/zinc/89/44/19/1128894419.db2.gz KVYNJQVJDPEHIT-UHFFFAOYSA-N 0 1 298.415 3.625 20 0 CHADMN N#C[C@@H](C(=O)CC1CCCCC1)c1cnc2ccccc2n1 ZINC000190968999 1128894472 /nfs/dbraw/zinc/89/44/72/1128894472.db2.gz MXDSWBMYWIXCJI-CQSZACIVSA-N 0 1 293.370 3.776 20 0 CHADMN C[C@H](NC[C@H]1CCCS1)c1nc(C(F)(F)F)cs1 ZINC000343842839 1120160491 /nfs/dbraw/zinc/16/04/91/1120160491.db2.gz RWTDSXNATVIXDP-JGVFFNPUSA-N 0 1 296.383 3.708 20 0 CHADMN Cc1ccc(CNCc2ccc(F)c(Cl)c2)nc1C ZINC000313947202 1120160869 /nfs/dbraw/zinc/16/08/69/1120160869.db2.gz PIENOUWGBLGUPL-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN CCn1cc(CN[C@@H](C)c2ccc(OC(C)C)cc2)cn1 ZINC000112096720 1120168450 /nfs/dbraw/zinc/16/84/50/1120168450.db2.gz VBNCODHLVHQJJB-AWEZNQCLSA-N 0 1 287.407 3.541 20 0 CHADMN CCCC[C@@H](C(=O)OC)N1CCC(c2ccccc2)CC1 ZINC000303155430 1120171379 /nfs/dbraw/zinc/17/13/79/1120171379.db2.gz GRQUDSFAEJMBOZ-KRWDZBQOSA-N 0 1 289.419 3.598 20 0 CHADMN Cc1noc([C@H]2CCCCN2[C@H](C)Cc2ccsc2)n1 ZINC000685448042 1120174262 /nfs/dbraw/zinc/17/42/62/1120174262.db2.gz HTQQXFYWLYEXGS-BXUZGUMPSA-N 0 1 291.420 3.598 20 0 CHADMN C[C@@H]1CCCC[C@H]1CCNCc1nnc(C2CC2)s1 ZINC000892950811 1120178236 /nfs/dbraw/zinc/17/82/36/1120178236.db2.gz JLJWYQHXCSCOSH-NEPJUHHUSA-N 0 1 279.453 3.722 20 0 CHADMN CC[C@](C)(NCc1ccc(OC)o1)c1ccccc1 ZINC000892973743 1120185393 /nfs/dbraw/zinc/18/53/93/1120185393.db2.gz WQFRKLGGJOYTGZ-INIZCTEOSA-N 0 1 259.349 3.703 20 0 CHADMN CC1(C)CC(CSc2nc(-c3ccccc3O)n[nH]2)C1 ZINC000629111634 1128897159 /nfs/dbraw/zinc/89/71/59/1128897159.db2.gz KUNYJURKSGFXFZ-UHFFFAOYSA-N 0 1 289.404 3.706 20 0 CHADMN COc1cccc(SCCN(C)Cc2ccoc2)c1 ZINC000659850814 1120191044 /nfs/dbraw/zinc/19/10/44/1120191044.db2.gz BOZREWBYZXDYKK-UHFFFAOYSA-N 0 1 277.389 3.512 20 0 CHADMN CCN(Cc1ccc2ccccc2c1)C[C@@H](O)C(F)(F)F ZINC000460591218 1120194968 /nfs/dbraw/zinc/19/49/68/1120194968.db2.gz MQKFBCNWZJSDOH-OAHLLOKOSA-N 0 1 297.320 3.585 20 0 CHADMN Cc1cccnc1[C@@H](NCc1cccc2c1OCC2)C(C)C ZINC000921746040 1120195179 /nfs/dbraw/zinc/19/51/79/1120195179.db2.gz UTZOYMWBODODCR-KRWDZBQOSA-N 0 1 296.414 3.812 20 0 CHADMN Cc1ccc(CN[C@H](c2ccccc2F)[C@@H](C)O)cc1C ZINC000584534646 1120198041 /nfs/dbraw/zinc/19/80/41/1120198041.db2.gz ZBEZZBHPEXNMBZ-KDOFPFPSSA-N 0 1 287.378 3.654 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@H]2c2ccc(O)cc2)o1 ZINC000644673702 1120199940 /nfs/dbraw/zinc/19/99/40/1120199940.db2.gz NTZNYZFISIULIO-HNNXBMFYSA-N 0 1 286.375 3.588 20 0 CHADMN CC(C)[C@H](NCc1cccc2c1OCC2)c1ccccn1 ZINC000921761333 1120201426 /nfs/dbraw/zinc/20/14/26/1120201426.db2.gz OVJHGNNOBNTXQB-KRWDZBQOSA-N 0 1 282.387 3.503 20 0 CHADMN Cc1noc(C)c1CN(C)[C@@H]1CCCc2ccccc21 ZINC000072801640 1120202394 /nfs/dbraw/zinc/20/23/94/1120202394.db2.gz VHOUIAHPOBPTND-QGZVFWFLSA-N 0 1 270.376 3.801 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccc(C)cc2)c1F ZINC000165828694 1120204582 /nfs/dbraw/zinc/20/45/82/1120204582.db2.gz ISKVYILNEGEGKP-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN CCc1ccccc1CNCc1cc(C)cnc1Cl ZINC000921768821 1120206652 /nfs/dbraw/zinc/20/66/52/1120206652.db2.gz CEIFQFWKUBLYQY-UHFFFAOYSA-N 0 1 274.795 3.896 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1c(F)cccc1Cl ZINC000565252310 1120210216 /nfs/dbraw/zinc/21/02/16/1120210216.db2.gz BXDLGJDRYJJGFG-VWYCJHECSA-N 0 1 299.773 3.553 20 0 CHADMN CCNc1nc(CN2CCC(C)(CC)CC2)cs1 ZINC000310846586 1120212796 /nfs/dbraw/zinc/21/27/96/1120212796.db2.gz CIQXLQOJFKKWSK-UHFFFAOYSA-N 0 1 267.442 3.587 20 0 CHADMN CC/C=C\CNCc1cscc1Br ZINC000395057905 1120225763 /nfs/dbraw/zinc/22/57/63/1120225763.db2.gz YIJVJIZYOHRTQL-ARJAWSKDSA-N 0 1 260.200 3.566 20 0 CHADMN CC(C)[C@H]1OCCC[C@H]1CNCc1nc(C(C)(C)C)co1 ZINC000921816606 1120226256 /nfs/dbraw/zinc/22/62/56/1120226256.db2.gz GOABZSJQPBDIFL-XJKSGUPXSA-N 0 1 294.439 3.513 20 0 CHADMN Cc1ccc(NC(=O)c2cccc3cn[nH]c32)c(Cl)c1 ZINC000039555672 1120226688 /nfs/dbraw/zinc/22/66/88/1120226688.db2.gz ZFBBQYMMXIVMNG-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccnn2C2CCC2)cc1F ZINC000921832115 1120232982 /nfs/dbraw/zinc/23/29/82/1120232982.db2.gz FWXMELUBKZKFLJ-CYBMUJFWSA-N 0 1 287.382 3.906 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@@H](C)CCCc2ccccc2)n1 ZINC000843149047 1120245565 /nfs/dbraw/zinc/24/55/65/1120245565.db2.gz INOFYODQGGLLHR-DZGCQCFKSA-N 0 1 287.407 3.852 20 0 CHADMN CCCc1cc(-c2nc([C@H](N)C(C)C)no2)sc1C ZINC000843148832 1120248862 /nfs/dbraw/zinc/24/88/62/1120248862.db2.gz XUPLGZHZSATQCC-GFCCVEGCSA-N 0 1 279.409 3.715 20 0 CHADMN CC(C)[C@@H](N)c1noc(CCC(C)(C)c2ccccc2)n1 ZINC000843148461 1120250396 /nfs/dbraw/zinc/25/03/96/1120250396.db2.gz ASWKAEJZDOWITE-OAHLLOKOSA-N 0 1 287.407 3.636 20 0 CHADMN CCc1nn(C)cc1C[N@@H+](Cc1ccccc1)[C@H](C)CC ZINC000179593436 1120250496 /nfs/dbraw/zinc/25/04/96/1120250496.db2.gz FOCHZABGPVGMRD-OAHLLOKOSA-N 0 1 285.435 3.783 20 0 CHADMN CC(C)[C@H](N)c1noc(/C=C\c2ccc(Cl)s2)n1 ZINC000843148258 1120250930 /nfs/dbraw/zinc/25/09/30/1120250930.db2.gz OHOOMXBGYIDHGL-QZPNVGJNSA-N 0 1 283.784 3.611 20 0 CHADMN CC(C)[C@H](N)c1noc(C(C)(C)C2CCCCC2)n1 ZINC000843149776 1120252950 /nfs/dbraw/zinc/25/29/50/1120252950.db2.gz QAIRDSCOZAKZGS-LBPRGKRZSA-N 0 1 265.401 3.583 20 0 CHADMN COc1ccc(CNCc2cc(C)cnc2Cl)c(C)c1 ZINC000921854358 1120253678 /nfs/dbraw/zinc/25/36/78/1120253678.db2.gz ADBDDXJHZRFHCY-UHFFFAOYSA-N 0 1 290.794 3.650 20 0 CHADMN CC(C)C[C@@H](NCc1cccc2c1OCC2)c1ccccn1 ZINC000921855681 1120253754 /nfs/dbraw/zinc/25/37/54/1120253754.db2.gz HZOQPBYXXMSDFH-GOSISDBHSA-N 0 1 296.414 3.894 20 0 CHADMN CC[C@H](C)C[C@@H](C)Nc1ncnc2[nH]c(C(C)C)nc21 ZINC001168689009 1120254678 /nfs/dbraw/zinc/25/46/78/1120254678.db2.gz FGJVZWBBVHUERF-WDEREUQCSA-N 0 1 275.400 3.713 20 0 CHADMN Cc1ccc2c(c1C)OC[C@@H]2N[C@@H](C)c1cnccc1C ZINC000271492449 1120255396 /nfs/dbraw/zinc/25/53/96/1120255396.db2.gz PBWYXKZKQFDMNX-YOEHRIQHSA-N 0 1 282.387 3.791 20 0 CHADMN C[C@H](N[C@@H](CC1CC1)c1ccccc1)c1ccncn1 ZINC000651298213 1120257978 /nfs/dbraw/zinc/25/79/78/1120257978.db2.gz LWWJFQNDZLZIDM-GUYCJALGSA-N 0 1 267.376 3.669 20 0 CHADMN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cn[nH]c1 ZINC000085825893 1120259158 /nfs/dbraw/zinc/25/91/58/1120259158.db2.gz URENBTJRDFXDGO-VIFPVBQESA-N 0 1 284.190 3.910 20 0 CHADMN Cc1cccc(C2(c3nc([C@H](N)C(C)C)no3)CCCC2)c1 ZINC000843156005 1120265179 /nfs/dbraw/zinc/26/51/79/1120265179.db2.gz UPCMTYCGJSVMOD-OAHLLOKOSA-N 0 1 299.418 3.894 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2csc(Cl)c2)cn1 ZINC000230408132 1120272789 /nfs/dbraw/zinc/27/27/89/1120272789.db2.gz PQTMLDKYOJOKDG-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCCCCC1 ZINC000008119177 1120276321 /nfs/dbraw/zinc/27/63/21/1120276321.db2.gz GXKCYWFMXPPYEA-CYBMUJFWSA-N 0 1 294.826 3.851 20 0 CHADMN CCN(Cc1cccc(Cl)c1)Cc1cc(OC)ccn1 ZINC000106933563 1120282289 /nfs/dbraw/zinc/28/22/89/1120282289.db2.gz FRYCNWWRWRMOGG-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN CC(C)C[C@H]1CCCCCN1C(=O)c1cccc2c[nH]nc21 ZINC000499518379 1120283324 /nfs/dbraw/zinc/28/33/24/1120283324.db2.gz IJJBVZKSCZPXGI-OAHLLOKOSA-N 0 1 299.418 3.994 20 0 CHADMN Cn1ccnc1[C@@H](N[C@H]1CCC12CCC2)c1ccc(F)cc1 ZINC000282318425 1120284741 /nfs/dbraw/zinc/28/47/41/1120284741.db2.gz UEVSFOWYROBANA-HOTGVXAUSA-N 0 1 299.393 3.571 20 0 CHADMN COC1(c2noc(-c3ccc(Cl)cc3O)n2)CCCC1 ZINC000228233072 1120286779 /nfs/dbraw/zinc/28/67/79/1120286779.db2.gz FRMVHRFJXMHUMN-UHFFFAOYSA-N 0 1 294.738 3.511 20 0 CHADMN CCC(CC)[C@@H](NCc1cc(OC)no1)c1ccccc1 ZINC000660183032 1128905021 /nfs/dbraw/zinc/90/50/21/1128905021.db2.gz AQHPWZUJSJESRQ-QGZVFWFLSA-N 0 1 288.391 3.950 20 0 CHADMN CN(Cc1nnc(C2CCC2)n1C)C1CCCCCCC1 ZINC000181191784 1120291518 /nfs/dbraw/zinc/29/15/18/1120291518.db2.gz PXGKRRDJRMCBCH-UHFFFAOYSA-N 0 1 290.455 3.627 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)nc(C)n1 ZINC000659929914 1120291730 /nfs/dbraw/zinc/29/17/30/1120291730.db2.gz WHJRYHLBQKCNJD-IBGZPJMESA-N 0 1 295.430 3.647 20 0 CHADMN CN(Cc1csc(C2CCCC2)n1)C[C@H]1CCCOC1 ZINC000107686760 1120295469 /nfs/dbraw/zinc/29/54/69/1120295469.db2.gz PCMYOMCFKIRHFV-CYBMUJFWSA-N 0 1 294.464 3.659 20 0 CHADMN Cc1nc(CN2C[C@H](c3ccc(F)cc3)C[C@H]2C)co1 ZINC000659939754 1120296856 /nfs/dbraw/zinc/29/68/56/1120296856.db2.gz JGBJZJXYPUHOBG-BXUZGUMPSA-N 0 1 274.339 3.500 20 0 CHADMN CCC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@H]1c1ccsc1 ZINC000339140252 1120298234 /nfs/dbraw/zinc/29/82/34/1120298234.db2.gz HQIDZESLEUXMGP-GUTXKFCHSA-N 0 1 294.464 3.578 20 0 CHADMN CN(Cc1csc(Cl)n1)C1CCCCCC1 ZINC000309445928 1120300438 /nfs/dbraw/zinc/30/04/38/1120300438.db2.gz PNHZGTSDCQUMDX-UHFFFAOYSA-N 0 1 258.818 3.951 20 0 CHADMN O=C1[C@H]2CCCCC2=NN1c1ccc(Cl)cc1Cl ZINC000104708891 1120305058 /nfs/dbraw/zinc/30/50/58/1120305058.db2.gz WVLXYHKZTUPYRD-VIFPVBQESA-N 0 1 283.158 3.886 20 0 CHADMN O=c1c2c([nH]n1-c1ccc(Cl)cc1Cl)CCCC2 ZINC000104708891 1120305064 /nfs/dbraw/zinc/30/50/64/1120305064.db2.gz WVLXYHKZTUPYRD-VIFPVBQESA-N 0 1 283.158 3.886 20 0 CHADMN C[C@@H](C(=O)Nc1cccc(Cl)c1O)c1ccccc1F ZINC000077011481 1120305808 /nfs/dbraw/zinc/30/58/08/1120305808.db2.gz SKGMQDGCXISTJA-SECBINFHSA-N 0 1 293.725 3.927 20 0 CHADMN CCS[C@H](C(=O)Nc1cccc(Cl)c1O)C(C)C ZINC000077012483 1120305968 /nfs/dbraw/zinc/30/59/68/1120305968.db2.gz VZJBTVHIEIPMCA-LBPRGKRZSA-N 0 1 287.812 3.762 20 0 CHADMN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000416315804 1120311702 /nfs/dbraw/zinc/31/17/02/1120311702.db2.gz FPNLPCBJVYTZJB-FRRDWIJNSA-N 0 1 289.423 3.574 20 0 CHADMN Brc1ccc([C@H]2CCCN2CC2CCC2)nc1 ZINC000339167108 1120312835 /nfs/dbraw/zinc/31/28/35/1120312835.db2.gz TXBQIMDIFLZXSV-CQSZACIVSA-N 0 1 295.224 3.781 20 0 CHADMN CN(Cc1ccccn1)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000930616243 1120315931 /nfs/dbraw/zinc/31/59/31/1120315931.db2.gz XJUQHEJCSLJNJB-HZPDHXFCSA-N 0 1 288.341 3.562 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)CCc1ccccn1 ZINC000077184023 1120317817 /nfs/dbraw/zinc/31/78/17/1120317817.db2.gz MMSPDJIVTZVRDI-GFCCVEGCSA-N 0 1 276.330 3.595 20 0 CHADMN Cc1cc(CN2CC[C@H](C)[C@H]2c2cccc(F)c2)nc(C)n1 ZINC000659978464 1120321129 /nfs/dbraw/zinc/32/11/29/1120321129.db2.gz GDFLMVZXLJNDDO-SGTLLEGYSA-N 0 1 299.393 3.816 20 0 CHADMN Cc1cc(CNCc2ccnn2C2CCC2)ccc1Cl ZINC000921994599 1120322361 /nfs/dbraw/zinc/32/23/61/1120322361.db2.gz FAWYNBKBILMHIJ-UHFFFAOYSA-N 0 1 289.810 3.860 20 0 CHADMN COc1nc(C)cc(C)c1CN(C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000672551730 1120324881 /nfs/dbraw/zinc/32/48/81/1120324881.db2.gz IRZMMXDAYMESGS-SJLPKXTDSA-N 0 1 296.414 3.695 20 0 CHADMN CCC[C@H](C)CCC[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000629364010 1128908224 /nfs/dbraw/zinc/90/82/24/1128908224.db2.gz JZNLKRVVGRZYFQ-KBPBESRZSA-N 0 1 257.418 3.634 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cccc3c2OCO3)c(C)c1 ZINC000925541256 1120326854 /nfs/dbraw/zinc/32/68/54/1120326854.db2.gz BENRRUVFMBVKHN-ZDUSSCGKSA-N 0 1 299.370 3.583 20 0 CHADMN FC(F)(F)C1(CNCc2ccsc2Cl)CC1 ZINC000309568876 1120328295 /nfs/dbraw/zinc/32/82/95/1120328295.db2.gz MAEPMGLRXLDZCO-UHFFFAOYSA-N 0 1 269.719 3.834 20 0 CHADMN FC1(F)CCC[C@@H]1N[C@H]1CCC[C@H](c2cccnc2)C1 ZINC000672621963 1120335824 /nfs/dbraw/zinc/33/58/24/1120335824.db2.gz PLKSTRCQMXGBMJ-QEJZJMRPSA-N 0 1 280.362 3.885 20 0 CHADMN CCC[C@@H](C)CCC[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000629375332 1128909033 /nfs/dbraw/zinc/90/90/33/1128909033.db2.gz DCSAKMBVESZSPX-APIJFGDWSA-N 0 1 269.429 3.776 20 0 CHADMN c1nc2cc(-c3nc([C@@H]4CCC[C@@H]5C[C@@H]54)no3)ccc2[nH]1 ZINC000924113858 1120336100 /nfs/dbraw/zinc/33/61/00/1120336100.db2.gz IUKYDRLZAPGWDC-JLLWLGSASA-N 0 1 280.331 3.517 20 0 CHADMN FC1(F)CCC[C@H]1N[C@@H](Cc1ccccc1)C1CC1 ZINC000672621905 1120336149 /nfs/dbraw/zinc/33/61/49/1120336149.db2.gz NOIMQFSKQARASE-LSDHHAIUSA-N 0 1 265.347 3.785 20 0 CHADMN C[C@@H]1CN(CCC2CCC2)C[C@H](c2ccsc2)O1 ZINC000660004206 1120336339 /nfs/dbraw/zinc/33/63/39/1120336339.db2.gz YHFAIIDRQJQUJO-IUODEOHRSA-N 0 1 265.422 3.700 20 0 CHADMN COc1ccc([C@H]2C[C@@H]2[C@@H](C)N[C@H]2CCCC2(F)F)cc1 ZINC000672621899 1120336740 /nfs/dbraw/zinc/33/67/40/1120336740.db2.gz NEBSALBLTDYCPB-MPESAESLSA-N 0 1 295.373 3.965 20 0 CHADMN Cc1nc2c(n1C/C=C\c1ccccc1)CCCC2 ZINC000311259494 1120339864 /nfs/dbraw/zinc/33/98/64/1120339864.db2.gz GJATWUHWMPBGRL-YFHOEESVSA-N 0 1 252.361 3.784 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000629375017 1128909481 /nfs/dbraw/zinc/90/94/81/1128909481.db2.gz AGCNYFGAZNHBIS-LLEDDSNTSA-N 0 1 291.366 3.630 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2CCCc2ccccc2)co1 ZINC000660013367 1120341714 /nfs/dbraw/zinc/34/17/14/1120341714.db2.gz POQPEVDFSWWDIO-SFHVURJKSA-N 0 1 284.403 3.970 20 0 CHADMN CCCn1cc(CN[C@@H](C)c2cccc(Cl)c2)cn1 ZINC000116912087 1120348837 /nfs/dbraw/zinc/34/88/37/1120348837.db2.gz YOORWLVCCINZCR-LBPRGKRZSA-N 0 1 277.799 3.797 20 0 CHADMN CC(C)=CCCN(Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000660037771 1120349796 /nfs/dbraw/zinc/34/97/96/1120349796.db2.gz IZPNIBFUDVLESQ-UHFFFAOYSA-N 0 1 299.418 3.902 20 0 CHADMN COc1cc(CN(C2CC2)[C@@H]2CCCc3ccccc32)on1 ZINC000660035785 1120350155 /nfs/dbraw/zinc/35/01/55/1120350155.db2.gz BYFFHLUGBTUOCW-QGZVFWFLSA-N 0 1 298.386 3.725 20 0 CHADMN CC1(C)CN(Cc2cccc3n[nH]cc32)[C@@H]1c1ccncc1 ZINC000628293773 1120358024 /nfs/dbraw/zinc/35/80/24/1120358024.db2.gz RXDQWQXCDCZQGR-QGZVFWFLSA-N 0 1 292.386 3.541 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2)C2CCC2)nc(C)n1 ZINC000660066094 1120360329 /nfs/dbraw/zinc/36/03/29/1120360329.db2.gz RISKMQFZZTWTCN-GOSISDBHSA-N 0 1 281.403 3.724 20 0 CHADMN C[C@]1(NCc2cc(C3CC3)no2)CCCc2ccccc21 ZINC000660068250 1120361626 /nfs/dbraw/zinc/36/16/26/1120361626.db2.gz BFDGUZWDDDFAQL-SFHVURJKSA-N 0 1 282.387 3.893 20 0 CHADMN COc1ccc(CN[C@@H]2c3ccccc3CC[C@@H]2C)o1 ZINC000893269262 1120362930 /nfs/dbraw/zinc/36/29/30/1120362930.db2.gz MVTNZTJDLUDGBJ-SJCJKPOMSA-N 0 1 271.360 3.701 20 0 CHADMN Cc1ncc(CN2CC[C@@H](c3cccc(Cl)c3)C2)o1 ZINC000628294226 1120363375 /nfs/dbraw/zinc/36/33/75/1120363375.db2.gz JSCCGUXLJQXGGT-CYBMUJFWSA-N 0 1 276.767 3.626 20 0 CHADMN CC(C)C[C@@H](C)CN[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000499624311 1120367306 /nfs/dbraw/zinc/36/73/06/1120367306.db2.gz HAKMTPCKHVVFQW-NEPJUHHUSA-N 0 1 267.417 3.700 20 0 CHADMN Cc1csc(C(C)(C)NC/C=C\c2ccccc2)n1 ZINC000255501338 1120373329 /nfs/dbraw/zinc/37/33/29/1120373329.db2.gz PZOCHOHEDXYNBT-YFHOEESVSA-N 0 1 272.417 3.990 20 0 CHADMN O=[N+]([O-])c1ccc(CNCc2ccccc2)cc1Cl ZINC000185266606 1120373834 /nfs/dbraw/zinc/37/38/34/1120373834.db2.gz BMVYHTZYPRXSNJ-UHFFFAOYSA-N 0 1 276.723 3.538 20 0 CHADMN COc1ccc(CN[C@H]2c3ccccc3O[C@@H]2C)c(C)c1 ZINC000922134685 1120380002 /nfs/dbraw/zinc/38/00/02/1120380002.db2.gz QWTYYYNRMIPIHR-FZKQIMNGSA-N 0 1 283.371 3.615 20 0 CHADMN CC[C@H](CSc1nc(Cc2ccccc2)c(C)[nH]1)OC ZINC000416893454 1120381606 /nfs/dbraw/zinc/38/16/06/1120381606.db2.gz LNCWRMDLKVSLKQ-CQSZACIVSA-N 0 1 290.432 3.826 20 0 CHADMN CC(C)(NCc1cnn(C2CCC2)c1)c1ccccc1F ZINC000922144005 1120383943 /nfs/dbraw/zinc/38/39/43/1120383943.db2.gz RKMLRRNGHMKRPG-UHFFFAOYSA-N 0 1 287.382 3.772 20 0 CHADMN Fc1cccc2c1CCC[C@@H]2NCc1cnn(C2CCC2)c1 ZINC000922150252 1120389695 /nfs/dbraw/zinc/38/96/95/1120389695.db2.gz OXBOINHZAIJYKQ-SFHVURJKSA-N 0 1 299.393 3.914 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c(F)c1 ZINC000388179360 1120391908 /nfs/dbraw/zinc/39/19/08/1120391908.db2.gz LKAORHIPCCWWII-OAHLLOKOSA-N 0 1 299.345 3.513 20 0 CHADMN Fc1ccc(CN2C[C@@H]3CCC[C@H]3C2)c(F)c1Cl ZINC001143615515 1120392695 /nfs/dbraw/zinc/39/26/95/1120392695.db2.gz DQDWKEWNFMEYTO-UWVGGRQHSA-N 0 1 271.738 3.850 20 0 CHADMN COc1ccc([C@@H](NCc2cc[nH]c2)c2ccccc2)cc1 ZINC000086249580 1120394466 /nfs/dbraw/zinc/39/44/66/1120394466.db2.gz MNMJUEXDDDENQO-IBGZPJMESA-N 0 1 292.382 3.903 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cnc2ccccc2c1 ZINC000313436302 1120397151 /nfs/dbraw/zinc/39/71/51/1120397151.db2.gz LKJFMFWPPIIZMH-LLVKDONJSA-N 0 1 281.359 3.690 20 0 CHADMN C[C@@H]1CCCCC[C@H]1NCc1noc(-c2cccs2)n1 ZINC000681411575 1120401457 /nfs/dbraw/zinc/40/14/57/1120401457.db2.gz GRSZZOLIQNBYOF-VXGBXAGGSA-N 0 1 291.420 3.857 20 0 CHADMN CC(C)CN(C(=O)c1cc(-c2cccs2)[nH]n1)C(C)C ZINC000066645797 1120403635 /nfs/dbraw/zinc/40/36/35/1120403635.db2.gz BFOYZDYUTOXRSD-UHFFFAOYSA-N 0 1 291.420 3.645 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cc(O)cc(Cl)c1 ZINC000893293467 1120405545 /nfs/dbraw/zinc/40/55/45/1120405545.db2.gz VLPSZWXBRDUYQW-NSHDSACASA-N 0 1 290.794 3.854 20 0 CHADMN COc1ccc(C[N@@H+](C)[C@H](C)c2cnc(C)nc2C)cc1C ZINC000682074337 1120406914 /nfs/dbraw/zinc/40/69/14/1120406914.db2.gz PNSSZZRABDJFAP-CQSZACIVSA-N 0 1 299.418 3.603 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2cnc(C)nc2C)cc1C ZINC000682074337 1120406916 /nfs/dbraw/zinc/40/69/16/1120406916.db2.gz PNSSZZRABDJFAP-CQSZACIVSA-N 0 1 299.418 3.603 20 0 CHADMN Cc1ncc([C@H](C)N2Cc3ccccc3C3(CC3)C2)c(C)n1 ZINC000682075896 1120408333 /nfs/dbraw/zinc/40/83/33/1120408333.db2.gz ZGFUWYBNTWGCMX-AWEZNQCLSA-N 0 1 293.414 3.702 20 0 CHADMN Cc1cc(C2CC[NH+](Cc3ccsc3Cl)CC2)[nH]n1 ZINC000660166623 1120411155 /nfs/dbraw/zinc/41/11/55/1120411155.db2.gz AQJZODHUTIWUKH-UHFFFAOYSA-N 0 1 295.839 3.813 20 0 CHADMN Cc1cc(C2CCN(Cc3ccsc3Cl)CC2)[nH]n1 ZINC000660166623 1120411160 /nfs/dbraw/zinc/41/11/60/1120411160.db2.gz AQJZODHUTIWUKH-UHFFFAOYSA-N 0 1 295.839 3.813 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1cccc(C)n1)CCC2 ZINC000092383938 1128915026 /nfs/dbraw/zinc/91/50/26/1128915026.db2.gz FVRGFTKLXZLYOX-GOSISDBHSA-N 0 1 282.387 3.566 20 0 CHADMN CC[C@]1(NCc2csc(-c3ccsc3)n2)CCOC1 ZINC000682951876 1120432557 /nfs/dbraw/zinc/43/25/57/1120432557.db2.gz MJKYPTICCKYUPJ-AWEZNQCLSA-N 0 1 294.445 3.530 20 0 CHADMN CN(Cc1cc(C(C)(C)C)on1)[C@H]1CCC(C)(C)C1 ZINC000584747710 1120433535 /nfs/dbraw/zinc/43/35/35/1120433535.db2.gz BIANXCZVSLUYRC-ZDUSSCGKSA-N 0 1 264.413 3.983 20 0 CHADMN c1ccc2c(c1)[nH]c1c2CCN(CC2CCCC2)C1 ZINC000533935184 1120435700 /nfs/dbraw/zinc/43/57/00/1120435700.db2.gz IWMYZMWMQVZICX-UHFFFAOYSA-N 0 1 254.377 3.716 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1nc(C(C)(C)C)no1 ZINC000115555209 1120440654 /nfs/dbraw/zinc/44/06/54/1120440654.db2.gz QVEAGTAUGICJDF-UKRRQHHQSA-N 0 1 299.418 3.745 20 0 CHADMN CCN1C(=O)N=NC1S[C@H](C)c1ccc(C(C)C)cc1 ZINC000543142199 1120442518 /nfs/dbraw/zinc/44/25/18/1120442518.db2.gz DQPVHPDXIOSACG-LLVKDONJSA-N 0 1 291.420 3.980 20 0 CHADMN CS[C@@H]1CCCC[N@H+]([C@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000584785557 1120447607 /nfs/dbraw/zinc/44/76/07/1120447607.db2.gz LUQWVMULUUUNRX-ZYHUDNBSSA-N 0 1 297.420 3.565 20 0 CHADMN CCCN(Cc1occc1Br)CC(C)C ZINC001143134948 1120449530 /nfs/dbraw/zinc/44/95/30/1120449530.db2.gz BLFPJQIDCVJVTI-UHFFFAOYSA-N 0 1 274.202 3.910 20 0 CHADMN COC[C@H]1CCCCN([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000364145575 1120456207 /nfs/dbraw/zinc/45/62/07/1120456207.db2.gz DQCACJRTXLSBEX-KGLIPLIRSA-N 0 1 294.439 3.782 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2/C=C/c2ccccc2)nc(C)n1 ZINC000660235885 1120457251 /nfs/dbraw/zinc/45/72/51/1120457251.db2.gz SHYFCHMLSWSYRZ-GNISGLHKSA-N 0 1 293.414 3.771 20 0 CHADMN Cc1cc(C[NH2+][C@H](C(=O)[O-])c2cccc(C)c2C)cs1 ZINC000417571652 1120458114 /nfs/dbraw/zinc/45/81/14/1120458114.db2.gz XLWVHSQLXXTHKL-HNNXBMFYSA-N 0 1 289.400 3.589 20 0 CHADMN CC1CC(N(C)Cc2ccc(F)c(Cl)c2F)C1 ZINC001143616176 1120460309 /nfs/dbraw/zinc/46/03/09/1120460309.db2.gz PABKEDQMVOJKAO-UHFFFAOYSA-N 0 1 259.727 3.849 20 0 CHADMN CCCC[N@@H+](CC)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000584844584 1120464887 /nfs/dbraw/zinc/46/48/87/1120464887.db2.gz FFIIYGBBUYUIFV-CYBMUJFWSA-N 0 1 269.772 3.588 20 0 CHADMN CCc1nnc([C@H](C)[N@H+]2CC[C@@H](c3cc(C)cc(C)c3)C2)[nH]1 ZINC000660249237 1120464986 /nfs/dbraw/zinc/46/49/86/1120464986.db2.gz OABYAGFBNNSBJX-LSDHHAIUSA-N 0 1 298.434 3.534 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@@H](c3cc(C)cc(C)c3)C2)[nH]1 ZINC000660249237 1120464988 /nfs/dbraw/zinc/46/49/88/1120464988.db2.gz OABYAGFBNNSBJX-LSDHHAIUSA-N 0 1 298.434 3.534 20 0 CHADMN Fc1ccc2c(c1)C[C@H](NCc1ccsc1Cl)CO2 ZINC000584861472 1120469614 /nfs/dbraw/zinc/46/96/14/1120469614.db2.gz GUGREXUXXXZYFS-LBPRGKRZSA-N 0 1 297.782 3.634 20 0 CHADMN Cc1c2nc[nH]c2ccc1N[C@@H](C)CCCC(C)(C)O ZINC001168712699 1120469713 /nfs/dbraw/zinc/46/97/13/1120469713.db2.gz SLKRJEHBKPLATE-NSHDSACASA-N 0 1 275.396 3.613 20 0 CHADMN CCCCc1noc(CN2CC[C@@H](c3cccc(C)c3)C2)n1 ZINC000543247407 1120474668 /nfs/dbraw/zinc/47/46/68/1120474668.db2.gz QDCQSRAQYUEIQP-MRXNPFEDSA-N 0 1 299.418 3.710 20 0 CHADMN Cc1ccc2nc(CN[C@H]3CCc4ccc(F)cc43)[nH]c2c1 ZINC000479402095 1120475859 /nfs/dbraw/zinc/47/58/59/1120475859.db2.gz KHHPWMZVYUCROJ-HNNXBMFYSA-N 0 1 295.361 3.788 20 0 CHADMN CCn1cncc1CN1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000417776701 1120479578 /nfs/dbraw/zinc/47/95/78/1120479578.db2.gz BFMIPDSFUDRWLR-CZUORRHYSA-N 0 1 287.407 3.778 20 0 CHADMN Cc1nnc([C@H](C)NCC[C@H]2CCc3ccccc32)s1 ZINC000660280116 1120480898 /nfs/dbraw/zinc/48/08/98/1120480898.db2.gz MTGKHBAVRRSVCG-SMDDNHRTSA-N 0 1 287.432 3.617 20 0 CHADMN Cc1cc(NC(=O)c2cn[nH]c2-c2ccccc2)cs1 ZINC001168716281 1120482057 /nfs/dbraw/zinc/48/20/57/1120482057.db2.gz JOXQGNIUTGAKOO-UHFFFAOYSA-N 0 1 283.356 3.699 20 0 CHADMN CCn1cncc1CNC1(c2ccc(Cl)cc2)CCC1 ZINC000417883570 1120488565 /nfs/dbraw/zinc/48/85/65/1120488565.db2.gz FLLPGCVTNVYXFE-UHFFFAOYSA-N 0 1 289.810 3.725 20 0 CHADMN CO[C@H](c1ccccc1)[C@@H](C)N[C@H](C)c1cscn1 ZINC000572543524 1128919842 /nfs/dbraw/zinc/91/98/42/1128919842.db2.gz MARPFEKEOSFVBG-JMSVASOKSA-N 0 1 276.405 3.570 20 0 CHADMN CCCCN(CCCC)Cc1cn(-c2ccccc2)nn1 ZINC000081481297 1120493123 /nfs/dbraw/zinc/49/31/23/1120493123.db2.gz PPFJKAXKRLDGOT-UHFFFAOYSA-N 0 1 286.423 3.670 20 0 CHADMN Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)Cc1ccn[nH]1 ZINC000673460372 1120496945 /nfs/dbraw/zinc/49/69/45/1120496945.db2.gz GMMVFVUHLHMVJR-OAHLLOKOSA-N 0 1 299.418 3.506 20 0 CHADMN C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(CN(C)C)c(F)c2)C1 ZINC000086233781 1120503764 /nfs/dbraw/zinc/50/37/64/1120503764.db2.gz SXLQUPJAGVDTPG-CHWSQXEVSA-N 0 1 292.398 3.652 20 0 CHADMN Clc1ccnc2c1CC[C@@H]2N[C@@H](c1cccnc1)C1CC1 ZINC000925642364 1120506664 /nfs/dbraw/zinc/50/66/64/1120506664.db2.gz GINLJZZICFOOGS-JKSUJKDBSA-N 0 1 299.805 3.858 20 0 CHADMN Cc1ccc([C@H](N[C@@H]2COC(C)(C)C2)c2ccccn2)cc1 ZINC000418028811 1120507496 /nfs/dbraw/zinc/50/74/96/1120507496.db2.gz KWQNNZJKVIPCPE-WMZOPIPTSA-N 0 1 296.414 3.637 20 0 CHADMN [O-]c1cccc2c(N3CCC[C@@H](C4CC4)C3)cc[nH+]c12 ZINC000673494156 1120508445 /nfs/dbraw/zinc/50/84/45/1120508445.db2.gz CHOBIICEYPJWNU-CYBMUJFWSA-N 0 1 268.360 3.567 20 0 CHADMN Cc1cc(C[N@H+](C)[C@@H](c2ccc(F)cc2)C(C)C)n(C)n1 ZINC000418038520 1120508775 /nfs/dbraw/zinc/50/87/75/1120508775.db2.gz YRODTOSLNNGVNU-QGZVFWFLSA-N 0 1 289.398 3.697 20 0 CHADMN Cc1cc(CN(C)[C@@H](c2ccc(F)cc2)C(C)C)n(C)n1 ZINC000418038520 1120508779 /nfs/dbraw/zinc/50/87/79/1120508779.db2.gz YRODTOSLNNGVNU-QGZVFWFLSA-N 0 1 289.398 3.697 20 0 CHADMN CC(C)[C@H](C)CN[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000543402271 1120509572 /nfs/dbraw/zinc/50/95/72/1120509572.db2.gz HEVMWAVIOSKMAF-CXAGYDPISA-N 0 1 287.382 3.587 20 0 CHADMN C[C@@H](NCc1ccnn1C1CCC1)c1cc2cnccc2o1 ZINC000922319782 1120511595 /nfs/dbraw/zinc/51/15/95/1120511595.db2.gz BWHUZQHNASYZDK-GFCCVEGCSA-N 0 1 296.374 3.600 20 0 CHADMN CCC[C@H]1CCCN(CC(=O)Nc2cc(C)ccc2C)C1 ZINC000466461784 1120513255 /nfs/dbraw/zinc/51/32/55/1120513255.db2.gz DRAFMQIREVTFKQ-INIZCTEOSA-N 0 1 288.435 3.754 20 0 CHADMN CCN(CC(=O)Nc1c(C)cccc1C)[C@@H]1C=CCCC1 ZINC000172975901 1120524216 /nfs/dbraw/zinc/52/42/16/1120524216.db2.gz GGTRGYQRLINIKX-MRXNPFEDSA-N 0 1 286.419 3.673 20 0 CHADMN Cc1ccc(NC(=O)c2ccc(O)c(Cl)c2)cc1C ZINC000019839415 1120529338 /nfs/dbraw/zinc/52/93/38/1120529338.db2.gz QYZLIMAMFCJBKR-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN Fc1ccccc1CN1CCC[C@@H](Oc2ccccc2)C1 ZINC000500213936 1120533373 /nfs/dbraw/zinc/53/33/73/1120533373.db2.gz PIOGPPIUFUQMNP-QGZVFWFLSA-N 0 1 285.362 3.869 20 0 CHADMN C[C@H](NCc1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000019906715 1120544803 /nfs/dbraw/zinc/54/48/03/1120544803.db2.gz BXKQCSNPUUKFIB-NSHDSACASA-N 0 1 280.293 3.951 20 0 CHADMN CC(C)c1nc(CN(C(C)C)[C@H](C)c2ccccc2)n[nH]1 ZINC000428871903 1120545621 /nfs/dbraw/zinc/54/56/21/1120545621.db2.gz KQNWRIXQELAYHT-CQSZACIVSA-N 0 1 286.423 3.900 20 0 CHADMN COc1ccccc1CN[C@H](C)c1ccccc1OC ZINC000019903170 1120546586 /nfs/dbraw/zinc/54/65/86/1120546586.db2.gz ZZKRSFMTQJQIRL-CYBMUJFWSA-N 0 1 271.360 3.555 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CC[C@@]2(CC2(F)F)C1 ZINC000651488178 1120546694 /nfs/dbraw/zinc/54/66/94/1120546694.db2.gz QTDWOMOPYFLKDT-CQSZACIVSA-N 0 1 278.277 3.609 20 0 CHADMN Cc1cc(CO)cc(C)c1CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000922561826 1120551451 /nfs/dbraw/zinc/55/14/51/1120551451.db2.gz WKTUOZUSEWBLBG-PBHICJAKSA-N 0 1 299.414 3.802 20 0 CHADMN c1nc(CNCCc2cccc(-c3ccccc3)c2)co1 ZINC000428889298 1120554163 /nfs/dbraw/zinc/55/41/63/1120554163.db2.gz QSMNGOOGJTVPBJ-UHFFFAOYSA-N 0 1 278.355 3.674 20 0 CHADMN C[C@@H](CCN[C@H]1CCCC1(F)F)c1ccccc1 ZINC000398040712 1120559062 /nfs/dbraw/zinc/55/90/62/1120559062.db2.gz PBZJUULDFOLBPM-JSGCOSHPSA-N 0 1 253.336 3.958 20 0 CHADMN N#Cc1ccc(CNCc2cc(Cl)cs2)c(F)c1 ZINC000193091208 1120563413 /nfs/dbraw/zinc/56/34/13/1120563413.db2.gz OJAPSUVAHDBIDJ-UHFFFAOYSA-N 0 1 280.755 3.702 20 0 CHADMN COc1ccc(OC)c(C[N@@H+](C)[C@@H](C)c2ccccc2)c1 ZINC000500319686 1120570609 /nfs/dbraw/zinc/57/06/09/1120570609.db2.gz DYNCTPBCYIOFTK-AWEZNQCLSA-N 0 1 285.387 3.897 20 0 CHADMN COc1ccc(OC)c(CN(C)[C@@H](C)c2ccccc2)c1 ZINC000500319686 1120570611 /nfs/dbraw/zinc/57/06/11/1120570611.db2.gz DYNCTPBCYIOFTK-AWEZNQCLSA-N 0 1 285.387 3.897 20 0 CHADMN CSC[C@@H](C)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343866028 1120572381 /nfs/dbraw/zinc/57/23/81/1120572381.db2.gz SHTZWBCAGBWPMI-RQJHMYQMSA-N 0 1 284.372 3.564 20 0 CHADMN CC(C)N1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000428930284 1120573960 /nfs/dbraw/zinc/57/39/60/1120573960.db2.gz WTHRZODCCWWAHT-FZMZJTMJSA-N 0 1 287.325 3.876 20 0 CHADMN COc1cc(C)nc(CN[C@@H](C)c2ccc(F)cc2C)c1 ZINC000922666863 1120574904 /nfs/dbraw/zinc/57/49/04/1120574904.db2.gz GJARPTVKEGIJCD-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN COc1ccc([C@H](C)NCc2cncn2C(C)C)cc1C ZINC000922675808 1120579132 /nfs/dbraw/zinc/57/91/32/1120579132.db2.gz XZMJFSZAUKMUBC-AWEZNQCLSA-N 0 1 287.407 3.632 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccccn2)cc1Cl ZINC000193730638 1120580024 /nfs/dbraw/zinc/58/00/24/1120580024.db2.gz NGHCVSPIIOOOLS-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN CSc1ccc(CNCc2ccc3c(c2)C[C@@H](C)O3)o1 ZINC000922702369 1120584682 /nfs/dbraw/zinc/58/46/82/1120584682.db2.gz ZSQXCBDDBQAHIJ-LLVKDONJSA-N 0 1 289.400 3.615 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@@H](C)c1ccnn1C1CCC1 ZINC000925684965 1120585459 /nfs/dbraw/zinc/58/54/59/1120585459.db2.gz JRUJNOXSBFXSKY-KBPBESRZSA-N 0 1 298.434 3.977 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@@H](C)c1cnn(C2CCC2)c1 ZINC000925686118 1120588042 /nfs/dbraw/zinc/58/80/42/1120588042.db2.gz RUVWHYZONCYEQC-UONOGXRCSA-N 0 1 298.434 3.977 20 0 CHADMN CCO[C@H]1C[C@H](NCc2nc(C)oc2C)C12CCCCC2 ZINC000660413527 1120588838 /nfs/dbraw/zinc/58/88/38/1120588838.db2.gz RJHDWPJQGDBCKJ-HOTGVXAUSA-N 0 1 292.423 3.509 20 0 CHADMN Cc1cnc(CNCc2ccc(OC(C)C)cc2)c(C)c1 ZINC000922743137 1120591724 /nfs/dbraw/zinc/59/17/24/1120591724.db2.gz IDSNNBUARHOXAA-UHFFFAOYSA-N 0 1 284.403 3.775 20 0 CHADMN CC(C)c1nc(CN2C[C@H](C)CC[C@H]2c2ccccc2)n[nH]1 ZINC000428977188 1120594874 /nfs/dbraw/zinc/59/48/74/1120594874.db2.gz MSQDPWNRKNLDOJ-ZBFHGGJFSA-N 0 1 298.434 3.901 20 0 CHADMN CCc1cc(CN[C@@H](CC)c2ccc(Cl)s2)[nH]n1 ZINC000766000397 1120597491 /nfs/dbraw/zinc/59/74/91/1120597491.db2.gz DPVCMQMKZXTCOP-NSHDSACASA-N 0 1 283.828 3.928 20 0 CHADMN CC(C)c1nc(CN2CC[C@H](c3ccccc3)C[C@H]2C)n[nH]1 ZINC000428984951 1120599220 /nfs/dbraw/zinc/59/92/20/1120599220.db2.gz JBHRPQOQAPLXJA-ZBFHGGJFSA-N 0 1 298.434 3.696 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)N1CCC[C@@](O)(C2CC2)C1 ZINC000661632196 1120600458 /nfs/dbraw/zinc/60/04/58/1120600458.db2.gz KZPLYLWDYFUUHD-ZBEGNZNMSA-N 0 1 297.801 3.777 20 0 CHADMN CCc1nc(C)c(CN(C)Cc2cc(C)cc(C)c2)o1 ZINC000428987545 1120601292 /nfs/dbraw/zinc/60/12/92/1120601292.db2.gz WTYKXKSNXFSSDG-UHFFFAOYSA-N 0 1 272.392 3.794 20 0 CHADMN c1sc(C2CC2)nc1CNC[C@@H]1CCCC2(CCC2)O1 ZINC000922813692 1120603711 /nfs/dbraw/zinc/60/37/11/1120603711.db2.gz QQDFRHYUVQHTPG-AWEZNQCLSA-N 0 1 292.448 3.602 20 0 CHADMN CC(C)c1cnc(CNC[C@H]2CCCC3(CCC3)O2)s1 ZINC000922807705 1120604772 /nfs/dbraw/zinc/60/47/72/1120604772.db2.gz UCBRNFMUUFLMPJ-CYBMUJFWSA-N 0 1 294.464 3.848 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@@H](C)c1cn(C)nc1C ZINC000194883333 1120609071 /nfs/dbraw/zinc/60/90/71/1120609071.db2.gz SWEOZTOSVOHSEV-NEPJUHHUSA-N 0 1 289.448 3.862 20 0 CHADMN C[C@@H]1C[C@@]1(NCc1cccnc1)c1ccc(Cl)cc1 ZINC000500400771 1120609940 /nfs/dbraw/zinc/60/99/40/1120609940.db2.gz IATXLQDJDCKAQH-WBMJQRKESA-N 0 1 272.779 3.760 20 0 CHADMN CCC[C@H](C)N(C)Cc1nc(-c2ccc(CC)cc2)no1 ZINC000642253387 1120612950 /nfs/dbraw/zinc/61/29/50/1120612950.db2.gz HEUHZTDSMMLEAW-ZDUSSCGKSA-N 0 1 287.407 3.919 20 0 CHADMN CCc1ccc(CN2CCCC[C@@H]2c2ccnn2C)cc1 ZINC000500405243 1120614066 /nfs/dbraw/zinc/61/40/66/1120614066.db2.gz SLWISESQPHWXSM-GOSISDBHSA-N 0 1 283.419 3.710 20 0 CHADMN CCc1cc(CN[C@H]2CCCOc3c(C)cc(C)cc32)[nH]n1 ZINC000766004737 1120617188 /nfs/dbraw/zinc/61/71/88/1120617188.db2.gz SHFPZQVPLFCVRH-KRWDZBQOSA-N 0 1 299.418 3.592 20 0 CHADMN CCc1cc(CN[C@H]2CCCOc3c(C)cc(C)cc32)n[nH]1 ZINC000766004737 1120617191 /nfs/dbraw/zinc/61/71/91/1120617191.db2.gz SHFPZQVPLFCVRH-KRWDZBQOSA-N 0 1 299.418 3.592 20 0 CHADMN CC1CCC([N@@H+](C)Cc2ccncc2Br)CC1 ZINC000625056341 1120627047 /nfs/dbraw/zinc/62/70/47/1120627047.db2.gz CJNJEXIQWYBANS-UHFFFAOYSA-N 0 1 297.240 3.855 20 0 CHADMN CC1CCC(N(C)Cc2ccncc2Br)CC1 ZINC000625056341 1120627050 /nfs/dbraw/zinc/62/70/50/1120627050.db2.gz CJNJEXIQWYBANS-UHFFFAOYSA-N 0 1 297.240 3.855 20 0 CHADMN CCO[C@@H](CN(C)Cc1nc2ccccc2s1)C1CC1 ZINC000625064386 1120628165 /nfs/dbraw/zinc/62/81/65/1120628165.db2.gz DEOCQHBKQCMHSR-AWEZNQCLSA-N 0 1 290.432 3.543 20 0 CHADMN CCO[C@@H](C[N@@H+](C)[C@H](C)c1cc(F)ccc1F)C1CC1 ZINC000625087991 1120631908 /nfs/dbraw/zinc/63/19/08/1120631908.db2.gz HYYUHMPHTJMGNY-BZNIZROVSA-N 0 1 283.362 3.773 20 0 CHADMN CCO[C@@H](CN(C)[C@H](C)c1cc(F)ccc1F)C1CC1 ZINC000625087991 1120631910 /nfs/dbraw/zinc/63/19/10/1120631910.db2.gz HYYUHMPHTJMGNY-BZNIZROVSA-N 0 1 283.362 3.773 20 0 CHADMN CS[C@@H]1CCCC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC000509085720 1120634440 /nfs/dbraw/zinc/63/44/40/1120634440.db2.gz RVJHMNOMQLNUNM-GFCCVEGCSA-N 0 1 285.840 3.763 20 0 CHADMN CS[C@@H]1CCCC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000509085720 1120634448 /nfs/dbraw/zinc/63/44/48/1120634448.db2.gz RVJHMNOMQLNUNM-GFCCVEGCSA-N 0 1 285.840 3.763 20 0 CHADMN CS[C@@H]1CCCC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000509085720 1120634452 /nfs/dbraw/zinc/63/44/52/1120634452.db2.gz RVJHMNOMQLNUNM-GFCCVEGCSA-N 0 1 285.840 3.763 20 0 CHADMN CCn1ccnc1CN[C@H](c1ccc(OC)cc1)C1CCC1 ZINC000922889693 1120638762 /nfs/dbraw/zinc/63/87/62/1120638762.db2.gz BRLZOGSBYOXUGV-SFHVURJKSA-N 0 1 299.418 3.543 20 0 CHADMN Brc1cnccc1CN(C1CC1)C1CCCC1 ZINC000625158075 1120641328 /nfs/dbraw/zinc/64/13/28/1120641328.db2.gz YYEASRKOBAOSRO-UHFFFAOYSA-N 0 1 295.224 3.751 20 0 CHADMN CCC[C@@H](NC(=O)c1cccc2nc[nH]c21)C1CCCC1 ZINC001626267472 1120642182 /nfs/dbraw/zinc/64/21/82/1120642182.db2.gz PWLLABVUZCZIGX-CQSZACIVSA-N 0 1 285.391 3.652 20 0 CHADMN COc1ccc(/C=C/c2ccc([C@@H]3COCCN3)cc2)cc1 ZINC000629730597 1128930528 /nfs/dbraw/zinc/93/05/28/1128930528.db2.gz NKEJQNRGSAVGMC-PHXNAMCJSA-N 0 1 295.382 3.527 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Cl)nc2)CC1(C)C ZINC000759920467 1120652142 /nfs/dbraw/zinc/65/21/42/1120652142.db2.gz DSLHQLHJSOKGBF-NSHDSACASA-N 0 1 252.789 3.603 20 0 CHADMN Cc1nocc1CN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000660550483 1120655405 /nfs/dbraw/zinc/65/54/05/1120655405.db2.gz HEEYYNGHKFFOFR-INIZCTEOSA-N 0 1 296.374 3.505 20 0 CHADMN Fc1ccc(/C=C\CN2CCCC3(CC3)C2)c(F)c1 ZINC000473077006 1120656531 /nfs/dbraw/zinc/65/65/31/1120656531.db2.gz LCDFIFPXRSRUOQ-IWQZZHSRSA-N 0 1 263.331 3.854 20 0 CHADMN CC[C@@H](C)N(C)Cc1coc(-c2ccccc2F)n1 ZINC000625254459 1120657075 /nfs/dbraw/zinc/65/70/75/1120657075.db2.gz ZDPGIKNGLDEZSC-LLVKDONJSA-N 0 1 262.328 3.711 20 0 CHADMN c1c(CN2CCC[C@@H]3CCC[C@H]32)[nH]nc1-c1ccccc1 ZINC000511837641 1120659726 /nfs/dbraw/zinc/65/97/26/1120659726.db2.gz ICOBHZGPKFTXJV-MAUKXSAKSA-N 0 1 281.403 3.841 20 0 CHADMN Cc1nc(-c2ccc(F)c(CN(C)C)c2)sc1C ZINC000629738125 1128931942 /nfs/dbraw/zinc/93/19/42/1128931942.db2.gz HPOXOVHULLCFCJ-UHFFFAOYSA-N 0 1 264.369 3.628 20 0 CHADMN CC(C)[C@H]1CCCC[C@H]1NCc1noc(C2CCC2)n1 ZINC000625320631 1120667832 /nfs/dbraw/zinc/66/78/32/1120667832.db2.gz CIMDTEGKVWHRPK-ZIAGYGMSSA-N 0 1 277.412 3.642 20 0 CHADMN COCC[C@@H]1CCCC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC000625328324 1120668057 /nfs/dbraw/zinc/66/80/57/1120668057.db2.gz RWTNQKIMIHXQOU-ZDUSSCGKSA-N 0 1 297.826 3.684 20 0 CHADMN CCc1noc(CN2CC[C@H](c3ccccc3)[C@H](CC)C2)n1 ZINC000673755121 1120668479 /nfs/dbraw/zinc/66/84/79/1120668479.db2.gz SPVUEGGWTMPPGN-ZBFHGGJFSA-N 0 1 299.418 3.648 20 0 CHADMN CCN(Cc1cn2cc(Cl)cc(Cl)c2n1)C1CC1 ZINC000195430766 1120671539 /nfs/dbraw/zinc/67/15/39/1120671539.db2.gz TZGGGNCTRGZEEL-UHFFFAOYSA-N 0 1 284.190 3.625 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1cc(C2CC2)no1 ZINC000660639807 1120672683 /nfs/dbraw/zinc/67/26/83/1120672683.db2.gz MBZHPKPAEXRZER-UHFFFAOYSA-N 0 1 270.376 3.885 20 0 CHADMN Cc1ccccc1CCN(C)Cc1cc(C2CC2)no1 ZINC000660648189 1120673653 /nfs/dbraw/zinc/67/36/53/1120673653.db2.gz OEBULQRQSVNHTK-UHFFFAOYSA-N 0 1 270.376 3.535 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@H](C)c1ccccc1N(C)C ZINC000093945241 1120676764 /nfs/dbraw/zinc/67/67/64/1120676764.db2.gz WWEZVXBABOBZEB-VXGBXAGGSA-N 0 1 287.407 3.769 20 0 CHADMN CSc1cccc(CN(C)Cc2ccc(C)cn2)c1 ZINC000660683485 1120678195 /nfs/dbraw/zinc/67/81/95/1120678195.db2.gz HGDICNBTVYQHEO-UHFFFAOYSA-N 0 1 272.417 3.744 20 0 CHADMN CCO[C@H](CN1CCCn2c(cc3ccccc32)C1)C1CC1 ZINC000625430388 1120678767 /nfs/dbraw/zinc/67/87/67/1120678767.db2.gz OAICYMSSNRWPTC-LJQANCHMSA-N 0 1 298.430 3.662 20 0 CHADMN CCC[C@H](C)CCCN1CCOC[C@@H]1CC(F)F ZINC000625426983 1120679649 /nfs/dbraw/zinc/67/96/49/1120679649.db2.gz GRDAIVSYDVLBRB-STQMWFEESA-N 0 1 263.372 3.559 20 0 CHADMN C[C@@H]1CCC(C)(C)N1Cc1ccncc1Br ZINC000625463187 1120686332 /nfs/dbraw/zinc/68/63/32/1120686332.db2.gz DVJYVMCPBULZBF-SNVBAGLBSA-N 0 1 283.213 3.607 20 0 CHADMN CCCC(C)(C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000651637269 1120688557 /nfs/dbraw/zinc/68/85/57/1120688557.db2.gz IGBAHEGVOAJEIW-UHFFFAOYSA-N 0 1 259.353 3.636 20 0 CHADMN Cc1[nH]c2ccc(CNCc3cnn(C(C)C)c3)cc2c1C ZINC000343873294 1120688950 /nfs/dbraw/zinc/68/89/50/1120688950.db2.gz UPIVQLNGQLBXQH-UHFFFAOYSA-N 0 1 296.418 3.852 20 0 CHADMN Cc1ccc([C@H](C)NCc2nc3c(s2)CCC3)cc1 ZINC000093063193 1120690774 /nfs/dbraw/zinc/69/07/74/1120690774.db2.gz HMEPGKREHXHREE-LBPRGKRZSA-N 0 1 272.417 3.791 20 0 CHADMN CC(C)(C)c1cnc(CN2CC(C)(C)[C@H]3CCC[C@H]32)o1 ZINC000572546032 1128933837 /nfs/dbraw/zinc/93/38/37/1128933837.db2.gz IXRCSWXGEUCRII-QWHCGFSZSA-N 0 1 276.424 3.983 20 0 CHADMN COc1cc(CN2CC(C)(C)C[C@H]2c2ccccc2)on1 ZINC000660863311 1120694807 /nfs/dbraw/zinc/69/48/07/1120694807.db2.gz IDFPDJRPHWEPBH-HNNXBMFYSA-N 0 1 286.375 3.656 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000629772635 1128934099 /nfs/dbraw/zinc/93/40/99/1128934099.db2.gz UGWQANMJPTWNEG-QLFBSQMISA-N 0 1 269.429 3.636 20 0 CHADMN C[C@H](C1CCCCC1)N(C)C(=O)c1cccc2[nH]cnc21 ZINC000282472148 1120698323 /nfs/dbraw/zinc/69/83/23/1120698323.db2.gz KWEFHRNCGIOOGD-GFCCVEGCSA-N 0 1 285.391 3.604 20 0 CHADMN c1ccc2c(CN3CC[C@@H](c4cccnc4)C3)nsc2c1 ZINC000660898286 1120698334 /nfs/dbraw/zinc/69/83/34/1120698334.db2.gz CCQTZXRBKQRVRM-CQSZACIVSA-N 0 1 295.411 3.681 20 0 CHADMN FC1(F)C[C@]12CCN(Cc1nsc3ccccc31)C2 ZINC000660922666 1120701513 /nfs/dbraw/zinc/70/15/13/1120701513.db2.gz KCHXKFMIDRQTBK-ZDUSSCGKSA-N 0 1 280.343 3.527 20 0 CHADMN CCC[C@H](C[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1ccccc1 ZINC000629770612 1128934408 /nfs/dbraw/zinc/93/44/08/1128934408.db2.gz AATYHHIJMCJQBQ-DJIMGWMZSA-N 0 1 289.419 3.613 20 0 CHADMN Cc1nn(-c2cccc(C)c2)cc1CNCc1ccoc1C ZINC000651685215 1120709895 /nfs/dbraw/zinc/70/98/95/1120709895.db2.gz NWEQBQZJMVGTOJ-UHFFFAOYSA-N 0 1 295.386 3.680 20 0 CHADMN CCO[C@H](C)Sc1nc(C)c(-c2ccccc2)[nH]1 ZINC000901539203 1128935055 /nfs/dbraw/zinc/93/50/55/1128935055.db2.gz WQUBCNVENKMYIO-NSHDSACASA-N 0 1 262.378 3.860 20 0 CHADMN CC[C@H](C)N(CC)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000661108823 1120716908 /nfs/dbraw/zinc/71/69/08/1120716908.db2.gz VUSVRCGKZOMFKZ-VIFPVBQESA-N 0 1 293.436 3.634 20 0 CHADMN CCc1nc([C@H](C)N[C@H](COC)CC(C)(C)C)cs1 ZINC000651717056 1120721770 /nfs/dbraw/zinc/72/17/70/1120721770.db2.gz QVAWQRKAUHJGGS-RYUDHWBXSA-N 0 1 284.469 3.807 20 0 CHADMN CC(C)c1nnc(CN[C@H]2CCCC23CCCCC3)o1 ZINC000661127356 1120723977 /nfs/dbraw/zinc/72/39/77/1120723977.db2.gz FJPLRCNBSMCZJW-ZDUSSCGKSA-N 0 1 277.412 3.786 20 0 CHADMN CC(C)c1noc(CN[C@H]2CCCC23CCCCC3)n1 ZINC000661131032 1120726099 /nfs/dbraw/zinc/72/60/99/1120726099.db2.gz YMLPNLGRARWPOG-ZDUSSCGKSA-N 0 1 277.412 3.786 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2c2c(C)cccc2C)co1 ZINC000661137978 1120727202 /nfs/dbraw/zinc/72/72/02/1120727202.db2.gz VHLHLRIEFJARDW-MRXNPFEDSA-N 0 1 270.376 3.937 20 0 CHADMN Cc1cc(CN2CCO[C@@](C)(C3CC3)C2)c2ccccc2n1 ZINC000661169253 1120731534 /nfs/dbraw/zinc/73/15/34/1120731534.db2.gz DKWIAFRFPFQJKT-LJQANCHMSA-N 0 1 296.414 3.544 20 0 CHADMN CCc1nnc(CN2CCCC3(CCCC3)CC2)s1 ZINC000661231837 1120740569 /nfs/dbraw/zinc/74/05/69/1120740569.db2.gz UGGMYEHOQMKIEL-UHFFFAOYSA-N 0 1 279.453 3.647 20 0 CHADMN Cc1occc1CN1CC[C@H](c2c(F)cccc2F)C1 ZINC001207527721 1120744840 /nfs/dbraw/zinc/74/48/40/1120744840.db2.gz UBEJMLAAEOUHLH-ZDUSSCGKSA-N 0 1 277.314 3.856 20 0 CHADMN Fc1cccc(-c2nc(CN3C4CCC3CC4)co2)c1 ZINC000642525667 1120748637 /nfs/dbraw/zinc/74/86/37/1120748637.db2.gz ZPJHQFGQSATGDB-UHFFFAOYSA-N 0 1 272.323 3.608 20 0 CHADMN OCc1ccc(CN2CC3(CCCC3)[C@H]2c2ccco2)cc1 ZINC000661435459 1120766113 /nfs/dbraw/zinc/76/61/13/1120766113.db2.gz HLKCOIMDRHOLSQ-GOSISDBHSA-N 0 1 297.398 3.889 20 0 CHADMN Cc1nc(CNCC2(c3ccccc3F)CCC2)cs1 ZINC000651864908 1120766925 /nfs/dbraw/zinc/76/69/25/1120766925.db2.gz IJKIKJJBNVKRPO-UHFFFAOYSA-N 0 1 290.407 3.802 20 0 CHADMN CCn1cncc1CN(C)[C@@H](C)CSc1ccccc1 ZINC000651876002 1120769362 /nfs/dbraw/zinc/76/93/62/1120769362.db2.gz ZIRFEPKHRUEDAC-AWEZNQCLSA-N 0 1 289.448 3.516 20 0 CHADMN CC1(C)CC[C@@H](CN2CC[C@@H]2c2ccc(F)cc2)O1 ZINC000661513259 1120773025 /nfs/dbraw/zinc/77/30/25/1120773025.db2.gz NHHJKXAUIDGCKE-LSDHHAIUSA-N 0 1 263.356 3.530 20 0 CHADMN CSc1ccc(CN2CCC[C@H](OC(C)C)C2)s1 ZINC000651898020 1120771771 /nfs/dbraw/zinc/77/17/71/1120771771.db2.gz RAGXGKZVYHLEGG-LBPRGKRZSA-N 0 1 285.478 3.859 20 0 CHADMN CCc1cccc(CN[C@H](c2ccccc2F)[C@@H](C)O)c1 ZINC000651891688 1120771898 /nfs/dbraw/zinc/77/18/98/1120771898.db2.gz ILIZLISGTZVZSR-ACJLOTCBSA-N 0 1 287.378 3.600 20 0 CHADMN FC1(F)C(F)(F)C12CCN(Cc1ccsc1)CC2 ZINC000651902347 1120772364 /nfs/dbraw/zinc/77/23/64/1120772364.db2.gz IBLBUVVHDXYQAY-UHFFFAOYSA-N 0 1 279.302 3.615 20 0 CHADMN CC[C@H]1CN(Cc2ccc3nc(C)ccc3c2)[C@@H](C)CO1 ZINC000651932043 1120783905 /nfs/dbraw/zinc/78/39/05/1120783905.db2.gz JWTFLBHAXCBCCS-YOEHRIQHSA-N 0 1 284.403 3.543 20 0 CHADMN CCC(=O)CCCN1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000661658955 1120791595 /nfs/dbraw/zinc/79/15/95/1120791595.db2.gz HNXUPMNXEYTXCX-MRXNPFEDSA-N 0 1 293.382 3.731 20 0 CHADMN COc1ccc([C@H]2CCCN2CCC(F)(F)F)cc1F ZINC000661658934 1120791610 /nfs/dbraw/zinc/79/16/10/1120791610.db2.gz HJOUSHPBROUTOR-GFCCVEGCSA-N 0 1 291.288 3.924 20 0 CHADMN Cc1cc(CN[C@H](CC(C)C)c2ccc(F)cc2)on1 ZINC000652149978 1120792160 /nfs/dbraw/zinc/79/21/60/1120792160.db2.gz HPDRRYAMZOSLLR-MRXNPFEDSA-N 0 1 276.355 3.999 20 0 CHADMN FCC[C@@H]1CCCN(Cc2cn3cc(Cl)ccc3n2)C1 ZINC000661693941 1120795500 /nfs/dbraw/zinc/79/55/00/1120795500.db2.gz COCBFGSISJFYOV-LBPRGKRZSA-N 0 1 295.789 3.559 20 0 CHADMN FCC[C@@H]1CCCN(Cc2ncc(-c3cccs3)o2)C1 ZINC000661693697 1120797265 /nfs/dbraw/zinc/79/72/65/1120797265.db2.gz RZVFNULUVJFSEQ-LBPRGKRZSA-N 0 1 294.395 3.975 20 0 CHADMN FCC[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000661697878 1120797523 /nfs/dbraw/zinc/79/75/23/1120797523.db2.gz SQHTURJXSRBPDZ-AWEZNQCLSA-N 0 1 288.366 3.913 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000661703813 1120797707 /nfs/dbraw/zinc/79/77/07/1120797707.db2.gz MITOGQZRZMUZPL-UEKVPHQBSA-N 0 1 283.774 3.508 20 0 CHADMN Cc1ccc([C@H](C)N(C)CC(=O)Nc2ccccc2)cc1 ZINC000047960323 1120798822 /nfs/dbraw/zinc/79/88/22/1120798822.db2.gz BDIZWHMCCPDVTQ-HNNXBMFYSA-N 0 1 282.387 3.627 20 0 CHADMN Cc1ccccc1C1(N[C@@H](C)c2ccncn2)CCC1 ZINC000652217382 1120799627 /nfs/dbraw/zinc/79/96/27/1120799627.db2.gz VYLZVPVXSHWNQC-AWEZNQCLSA-N 0 1 267.376 3.515 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(O)cc(F)c1 ZINC000473144408 1120812397 /nfs/dbraw/zinc/81/23/97/1120812397.db2.gz OFXWUJHOMVNRNW-ACJLOTCBSA-N 0 1 285.362 3.909 20 0 CHADMN CSc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000335944549 1120816049 /nfs/dbraw/zinc/81/60/49/1120816049.db2.gz QIELTHPRIJTVEQ-CYBMUJFWSA-N 0 1 259.378 3.621 20 0 CHADMN Fc1ccc(CN2CCC([C@H]3CCCCO3)CC2)c(F)c1 ZINC000661864298 1120827447 /nfs/dbraw/zinc/82/74/47/1120827447.db2.gz AUAJFRKOKNOVRB-QGZVFWFLSA-N 0 1 295.373 3.746 20 0 CHADMN Fc1cc(F)cc(CN2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000661868375 1120829610 /nfs/dbraw/zinc/82/96/10/1120829610.db2.gz RCWQLZSCVLZBMV-KRWDZBQOSA-N 0 1 295.373 3.746 20 0 CHADMN Fc1ccc(F)c(CN2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000661868116 1120829636 /nfs/dbraw/zinc/82/96/36/1120829636.db2.gz WXFRDAQZVNPCKH-KRWDZBQOSA-N 0 1 295.373 3.746 20 0 CHADMN Cc1[nH]ncc1[C@@H](C)Nc1cnn(-c2ccc(C)cc2)c1C ZINC000652331481 1120830605 /nfs/dbraw/zinc/83/06/05/1120830605.db2.gz IOSSPJGLWJJDLA-GFCCVEGCSA-N 0 1 295.390 3.694 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(C(=O)[O-])ccc1Cl ZINC000652367042 1120842331 /nfs/dbraw/zinc/84/23/31/1120842331.db2.gz HCICHMHDTORQMU-PHIMTYICSA-N 0 1 281.783 3.801 20 0 CHADMN C[C@@H](NCc1ccc(Cl)c(Cl)c1)c1cnn(C)c1 ZINC000301479694 1120843955 /nfs/dbraw/zinc/84/39/55/1120843955.db2.gz AGHOXXHFVKACBW-SECBINFHSA-N 0 1 284.190 3.578 20 0 CHADMN CC(C)(C)[C@@H]1CCCN1Cc1cccc(Br)n1 ZINC000779438529 1128944325 /nfs/dbraw/zinc/94/43/25/1128944325.db2.gz ZKPAHIIPYGMLCQ-LBPRGKRZSA-N 0 1 297.240 3.855 20 0 CHADMN CC(C)(C)[C@H]1CCCN1Cc1cccc(Br)n1 ZINC000779438528 1128944413 /nfs/dbraw/zinc/94/44/13/1128944413.db2.gz ZKPAHIIPYGMLCQ-GFCCVEGCSA-N 0 1 297.240 3.855 20 0 CHADMN Cc1ccc(-c2nnc([C@H](C)N3CC[C@H]4C[C@H]4C3)o2)cc1C ZINC000661973789 1120850131 /nfs/dbraw/zinc/85/01/31/1120850131.db2.gz MEZYDRKRKOPREL-DZKIICNBSA-N 0 1 297.402 3.756 20 0 CHADMN Cc1ccc(-c2nnc([C@H](C)N3CC[C@@H]4C[C@@H]4C3)o2)cc1C ZINC000661973817 1120850286 /nfs/dbraw/zinc/85/02/86/1120850286.db2.gz MEZYDRKRKOPREL-SQWLQELKSA-N 0 1 297.402 3.756 20 0 CHADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@@H+](C)CCCc1ccccc1 ZINC000652390656 1120852217 /nfs/dbraw/zinc/85/22/17/1120852217.db2.gz ZBGJFCFPMZSDKV-SFHVURJKSA-N 0 1 297.398 3.685 20 0 CHADMN Fc1ccc(/C=C/CNCc2ccc(Cl)cn2)cc1F ZINC000511926659 1120852793 /nfs/dbraw/zinc/85/27/93/1120852793.db2.gz MQUGAWXVISKMBP-OWOJBTEDSA-N 0 1 294.732 3.816 20 0 CHADMN C[C@H](NCc1nc(C2CCCC2)no1)C1CCC(F)CC1 ZINC000662000453 1120855426 /nfs/dbraw/zinc/85/54/26/1120855426.db2.gz GERQRGZTSIKFNS-DCBWTQNWSA-N 0 1 295.402 3.734 20 0 CHADMN CC[N@@H+](Cc1ccoc1)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000652408108 1120856239 /nfs/dbraw/zinc/85/62/39/1120856239.db2.gz AAHNFXZGKYJIDW-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000652429937 1120861229 /nfs/dbraw/zinc/86/12/29/1120861229.db2.gz BZTTZHJRRVDUBV-DGCLKSJQSA-N 0 1 281.421 3.847 20 0 CHADMN Cc1ccc(C)c(-c2ccc([C@H]3COCCN3)cc2)c1 ZINC000630050620 1128945352 /nfs/dbraw/zinc/94/53/52/1128945352.db2.gz DEVINEXIIJGPTN-GOSISDBHSA-N 0 1 267.372 3.631 20 0 CHADMN CC(C)(C)c1cnc(CN2CCC[C@H](C3CCC3)C2)o1 ZINC000662040631 1120863162 /nfs/dbraw/zinc/86/31/62/1120863162.db2.gz VHDKPRHKFVFZCE-AWEZNQCLSA-N 0 1 276.424 3.984 20 0 CHADMN CSc1ccc(CN2CCC(c3ccon3)CC2)cc1 ZINC000662044368 1120864136 /nfs/dbraw/zinc/86/41/36/1120864136.db2.gz RBOONROJJRXZIU-UHFFFAOYSA-N 0 1 288.416 3.776 20 0 CHADMN c1cc(C2CCN(Cc3ccccc3OC3CC3)CC2)no1 ZINC000662047935 1120864370 /nfs/dbraw/zinc/86/43/70/1120864370.db2.gz MBUQPMPRJMPNTJ-UHFFFAOYSA-N 0 1 298.386 3.595 20 0 CHADMN O=C(CCCN1CCC(c2ccon2)CC1)c1ccccc1 ZINC000662048672 1120864482 /nfs/dbraw/zinc/86/44/82/1120864482.db2.gz IZTREYSEAGIDIA-UHFFFAOYSA-N 0 1 298.386 3.517 20 0 CHADMN O=C([O-])C[N@@H+](CCC1CCCCC1)Cc1ccccc1 ZINC000652455638 1120866724 /nfs/dbraw/zinc/86/67/24/1120866724.db2.gz UWKRCLOZMUMFGW-UHFFFAOYSA-N 0 1 275.392 3.544 20 0 CHADMN Cc1c(C)c(C)c(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c(C)c1C ZINC000652451770 1120867045 /nfs/dbraw/zinc/86/70/45/1120867045.db2.gz AJUQUXGXQPHKPV-INIZCTEOSA-N 0 1 289.419 3.525 20 0 CHADMN Cc1cccc(C)c1C[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000652481986 1120870585 /nfs/dbraw/zinc/87/05/85/1120870585.db2.gz HRRXTXXFYDAQAP-UHFFFAOYSA-N 0 1 275.392 3.523 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000652484981 1120872415 /nfs/dbraw/zinc/87/24/15/1120872415.db2.gz IBYZLXUHPNABAJ-KRWDZBQOSA-N 0 1 289.419 3.885 20 0 CHADMN CC[C@H](c1ccccc1)N(Cc1nccn1C)C(C)C ZINC000662105256 1120877150 /nfs/dbraw/zinc/87/71/50/1120877150.db2.gz NRIOTDHTEBOJCQ-MRXNPFEDSA-N 0 1 271.408 3.782 20 0 CHADMN Cc1cc(C)c([C@@H](C)N2CCc3nccnc3C2)c(C)c1 ZINC000662123201 1120880820 /nfs/dbraw/zinc/88/08/20/1120880820.db2.gz ZXXPNEAHBKCGDC-OAHLLOKOSA-N 0 1 281.403 3.521 20 0 CHADMN CC[C@@H]1CCC[C@H](C)N1Cc1nnc(-c2ccccc2)n1C ZINC000662161489 1120890052 /nfs/dbraw/zinc/89/00/52/1120890052.db2.gz TYQWMTACIAEFCI-GOEBONIOSA-N 0 1 298.434 3.635 20 0 CHADMN CCc1cccc(CNc2ccc(F)c(-c3nc[nH]n3)c2)c1 ZINC000630059452 1128947298 /nfs/dbraw/zinc/94/72/98/1128947298.db2.gz NDOCXPBLWQOQIK-UHFFFAOYSA-N 0 1 296.349 3.785 20 0 CHADMN Cc1cnc(CN(C)C[C@@H]2CCc3ccccc32)s1 ZINC000662196739 1120894768 /nfs/dbraw/zinc/89/47/68/1120894768.db2.gz FUZFLHYZQSPRFH-AWEZNQCLSA-N 0 1 272.417 3.613 20 0 CHADMN Cc1cnc(CN(C)C[C@H]2CCc3ccccc32)s1 ZINC000662196741 1120895738 /nfs/dbraw/zinc/89/57/38/1120895738.db2.gz FUZFLHYZQSPRFH-CQSZACIVSA-N 0 1 272.417 3.613 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@H](C3CCCCC3)C2)o1 ZINC000662200920 1120897154 /nfs/dbraw/zinc/89/71/54/1120897154.db2.gz IXYQANDRNODDNP-HNNXBMFYSA-N 0 1 291.439 3.985 20 0 CHADMN COc1cc(CNc2ccc3c[nH]nc3c2)ccc1Cl ZINC000630066827 1128947695 /nfs/dbraw/zinc/94/76/95/1128947695.db2.gz DYTKGKYOCOSKEB-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN CC(C)c1cccc(C[NH2+][C@H](C(=O)[O-])c2cccs2)c1 ZINC000663260759 1120904022 /nfs/dbraw/zinc/90/40/22/1120904022.db2.gz WFXVTEPZNOSEIG-HNNXBMFYSA-N 0 1 289.400 3.787 20 0 CHADMN c1ccc(CN2CCC3(C=Cc4ccccc4O3)CC2)nc1 ZINC000662214012 1120904316 /nfs/dbraw/zinc/90/43/16/1120904316.db2.gz IVKGJSUGLOVTIG-UHFFFAOYSA-N 0 1 292.382 3.522 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000662217232 1120904324 /nfs/dbraw/zinc/90/43/24/1120904324.db2.gz WXRHNDPMEZPGPJ-UKRRQHHQSA-N 0 1 289.419 3.527 20 0 CHADMN Fc1c(CNc2ccc3c[nH]nc3c2)cccc1OC1CC1 ZINC000630069373 1128948684 /nfs/dbraw/zinc/94/86/84/1128948684.db2.gz DZNXDYVVTJSQDF-UHFFFAOYSA-N 0 1 297.333 3.855 20 0 CHADMN COc1c(C)cc(CNc2ccc3c[nH]nc3c2)cc1C ZINC000630069570 1128948873 /nfs/dbraw/zinc/94/88/73/1128948873.db2.gz NPAKNFHMOUUQKG-UHFFFAOYSA-N 0 1 281.359 3.800 20 0 CHADMN C[C@@H](NCc1cnccc1C(F)(F)F)c1ccccc1 ZINC000663312468 1120921950 /nfs/dbraw/zinc/92/19/50/1120921950.db2.gz XFRMYFKYFVNRPC-LLVKDONJSA-N 0 1 280.293 3.951 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(C(C)C)c1 ZINC000663316466 1120924157 /nfs/dbraw/zinc/92/41/57/1120924157.db2.gz DXVZYRDMQIBKTE-INIZCTEOSA-N 0 1 277.408 3.741 20 0 CHADMN Cc1cccc(Cl)c1NC(=O)CN(C)C[C@H]1CC1(C)C ZINC000662343600 1120928580 /nfs/dbraw/zinc/92/85/80/1120928580.db2.gz AKLKRYVWMDTUGN-GFCCVEGCSA-N 0 1 294.826 3.565 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N(C)C[C@H]1CC1(C)C ZINC000662348216 1120929619 /nfs/dbraw/zinc/92/96/19/1120929619.db2.gz RYPMOYUJWNUUIH-GHMZBOCLSA-N 0 1 291.420 3.837 20 0 CHADMN Cc1cc(CNCc2cnn(C)c2C2CC2)ccc1Cl ZINC000893570230 1120931359 /nfs/dbraw/zinc/93/13/59/1120931359.db2.gz XDTLLTINWUCGSV-UHFFFAOYSA-N 0 1 289.810 3.549 20 0 CHADMN CC12CC(C1)CN2Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000662381079 1120933179 /nfs/dbraw/zinc/93/31/79/1120933179.db2.gz UAVJKHCSWUBCQN-UHFFFAOYSA-N 0 1 288.778 3.979 20 0 CHADMN CCOc1ccc(CN2C[C@@H](C)C[C@@H]2c2cccnc2)o1 ZINC000893570817 1120933706 /nfs/dbraw/zinc/93/37/06/1120933706.db2.gz JBJRRFUIJDUSNV-XJKSGUPXSA-N 0 1 286.375 3.656 20 0 CHADMN Cc1cc(-c2nnc(C[N@H+]3C[C@@H](C)CC[C@@H]3C)o2)c(C)o1 ZINC000162118758 1120936021 /nfs/dbraw/zinc/93/60/21/1120936021.db2.gz LOCLTLSGRYXVJU-QWRGUYRKSA-N 0 1 289.379 3.567 20 0 CHADMN Cc1cc(-c2nnc(CN3C[C@@H](C)CC[C@@H]3C)o2)c(C)o1 ZINC000162118758 1120936025 /nfs/dbraw/zinc/93/60/25/1120936025.db2.gz LOCLTLSGRYXVJU-QWRGUYRKSA-N 0 1 289.379 3.567 20 0 CHADMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1csc(C2CC2)n1 ZINC000162119513 1120936103 /nfs/dbraw/zinc/93/61/03/1120936103.db2.gz UALOFSFQZNQVNM-WDEREUQCSA-N 0 1 250.411 3.641 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1csc(C2CC2)n1 ZINC000162119513 1120936107 /nfs/dbraw/zinc/93/61/07/1120936107.db2.gz UALOFSFQZNQVNM-WDEREUQCSA-N 0 1 250.411 3.641 20 0 CHADMN CC(C)n1cncc1CN[C@@]1(c2ccccc2)CC1(C)C ZINC000663341175 1120939350 /nfs/dbraw/zinc/93/93/50/1120939350.db2.gz IVLLXZRMMJXGAX-GOSISDBHSA-N 0 1 283.419 3.879 20 0 CHADMN CCn1nccc1CNCc1cccc(C2CCCC2)c1 ZINC000663349028 1120943159 /nfs/dbraw/zinc/94/31/59/1120943159.db2.gz BLHXWCVIWVDJBP-UHFFFAOYSA-N 0 1 283.419 3.850 20 0 CHADMN CCn1nccc1CNCc1ccc(C(C)(C)C)s1 ZINC000663349495 1120943197 /nfs/dbraw/zinc/94/31/97/1120943197.db2.gz XDXJNQHPLBOGSO-UHFFFAOYSA-N 0 1 277.437 3.552 20 0 CHADMN CCCOc1c(Cl)cc(CN2CC[C@@H](C)C2)cc1OC ZINC000511973433 1120950951 /nfs/dbraw/zinc/95/09/51/1120950951.db2.gz QLHXIDOPAGMDQS-GFCCVEGCSA-N 0 1 297.826 3.979 20 0 CHADMN CC(C)c1cnc(CN2CCC(C3CC3)CC2)s1 ZINC000644837439 1120954497 /nfs/dbraw/zinc/95/44/97/1120954497.db2.gz JRQCRAQIBFHMGV-UHFFFAOYSA-N 0 1 264.438 3.889 20 0 CHADMN CN(CC[C@@H](O)c1ccccc1)Cc1ccccc1Cl ZINC000053933634 1120955288 /nfs/dbraw/zinc/95/52/88/1120955288.db2.gz YSKAOMDYQWDZNA-QGZVFWFLSA-N 0 1 289.806 3.896 20 0 CHADMN CCc1noc(CN(C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)n1 ZINC000075886645 1120956910 /nfs/dbraw/zinc/95/69/10/1120956910.db2.gz NNNORHJQCGDAQM-HZPDHXFCSA-N 0 1 299.418 3.709 20 0 CHADMN CC[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)cc(C)c1 ZINC000069130950 1120957844 /nfs/dbraw/zinc/95/78/44/1120957844.db2.gz YXXDJTSCWTVRSC-INIZCTEOSA-N 0 1 274.408 3.506 20 0 CHADMN CC[C@H]1CCCCN1CC(=O)Nc1cc(C)cc(C)c1 ZINC000069130950 1120957848 /nfs/dbraw/zinc/95/78/48/1120957848.db2.gz YXXDJTSCWTVRSC-INIZCTEOSA-N 0 1 274.408 3.506 20 0 CHADMN CC[C@H](CC(F)(F)F)NCc1nc(C)c(C)s1 ZINC000893592344 1120958000 /nfs/dbraw/zinc/95/80/00/1120958000.db2.gz LKLQLJXDFCSHOC-SECBINFHSA-N 0 1 266.332 3.581 20 0 CHADMN CCc1nc(C)c(CN[C@@H](C)c2sccc2C)o1 ZINC000311695986 1120960506 /nfs/dbraw/zinc/96/05/06/1120960506.db2.gz QIWJZFAYYJPNAN-NSHDSACASA-N 0 1 264.394 3.766 20 0 CHADMN C/C(=C\c1ccccc1)CN1C[C@@H](C)OC(C)(C)C1 ZINC000511979608 1120963705 /nfs/dbraw/zinc/96/37/05/1120963705.db2.gz XJCGFKHRCHHYAX-YVGNARHYSA-N 0 1 259.393 3.589 20 0 CHADMN Cc1ccc([C@@H]2CC[N@@H+](Cc3nncs3)C2(C)C)cc1 ZINC000931688071 1120967351 /nfs/dbraw/zinc/96/73/51/1120967351.db2.gz CKYKCQKWUQHOHV-AWEZNQCLSA-N 0 1 287.432 3.615 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cc3nncs3)C2(C)C)cc1 ZINC000931688071 1120967354 /nfs/dbraw/zinc/96/73/54/1120967354.db2.gz CKYKCQKWUQHOHV-AWEZNQCLSA-N 0 1 287.432 3.615 20 0 CHADMN C[C@@H](NCCOCCF)c1cccc(Cl)c1Cl ZINC000663465008 1120979863 /nfs/dbraw/zinc/97/98/63/1120979863.db2.gz UCLUCAJSSAXXCK-SECBINFHSA-N 0 1 280.170 3.630 20 0 CHADMN Cc1cncc([C@@H](C)NCc2cnccc2C(F)(F)F)c1 ZINC000663470094 1120984761 /nfs/dbraw/zinc/98/47/61/1120984761.db2.gz IPTAWTKQCINCPW-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCCCCC1 ZINC000026462884 1120984845 /nfs/dbraw/zinc/98/48/45/1120984845.db2.gz NCDQVLQRVUQIAK-LLVKDONJSA-N 0 1 298.789 3.682 20 0 CHADMN C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCCCCC1 ZINC000026462891 1120985046 /nfs/dbraw/zinc/98/50/46/1120985046.db2.gz NCDQVLQRVUQIAK-NSHDSACASA-N 0 1 298.789 3.682 20 0 CHADMN C[C@H](NCCOC(C)(C)C)c1cc(-c2ccccc2)no1 ZINC000925777238 1120985702 /nfs/dbraw/zinc/98/57/02/1120985702.db2.gz CRJBYIYQRFLDQM-ZDUSSCGKSA-N 0 1 288.391 3.807 20 0 CHADMN c1sc([C@@H]2CCCCN2)nc1COc1ccccc1 ZINC000630380303 1128954660 /nfs/dbraw/zinc/95/46/60/1128954660.db2.gz APBRPODYMWANBH-AWEZNQCLSA-N 0 1 274.389 3.537 20 0 CHADMN CC[C@H](CC(F)F)CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000660536036 1120990720 /nfs/dbraw/zinc/99/07/20/1120990720.db2.gz NJPWYCJWGFNOKW-DGCLKSJQSA-N 0 1 271.355 3.618 20 0 CHADMN C[C@@H](NC1(c2ccc(F)cc2)CCCC1)c1cn(C)cn1 ZINC000925780863 1120993911 /nfs/dbraw/zinc/99/39/11/1120993911.db2.gz UESSBDAIOKRTRU-CYBMUJFWSA-N 0 1 287.382 3.679 20 0 CHADMN Cc1cccc([C@H](C)NC(=O)c2n[nH]c3ccccc32)c1C ZINC000303605961 1120995660 /nfs/dbraw/zinc/99/56/60/1120995660.db2.gz BBXWVQFVRDLUHO-ZDUSSCGKSA-N 0 1 293.370 3.671 20 0 CHADMN FC(F)(F)C[C@H]1CN(CC2CCCCCC2)CCO1 ZINC001174770841 1121025613 /nfs/dbraw/zinc/02/56/13/1121025613.db2.gz IOTXSJYGTSQMBJ-ZDUSSCGKSA-N 0 1 279.346 3.610 20 0 CHADMN COC(=O)c1ccccc1CN(C)C(C)(C)c1ccccc1 ZINC000585754280 1121027490 /nfs/dbraw/zinc/02/74/90/1121027490.db2.gz DYTRVIJYMGEJOD-UHFFFAOYSA-N 0 1 297.398 3.840 20 0 CHADMN CC=Nc1cc(-c2ccc(C(F)(F)F)cc2)no1 ZINC001174783178 1121031331 /nfs/dbraw/zinc/03/13/31/1121031331.db2.gz FJTASMFWJGXXMM-UHFFFAOYSA-N 0 1 254.211 3.916 20 0 CHADMN CCN1CCCC[C@H]1C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000343981126 1121038042 /nfs/dbraw/zinc/03/80/42/1121038042.db2.gz VVDHVNQOFMHOJS-INIZCTEOSA-N 0 1 290.382 3.516 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCCOC(C)(C)C1 ZINC000604999382 1121040664 /nfs/dbraw/zinc/04/06/64/1121040664.db2.gz LEOQQNREIVVAQO-NSHDSACASA-N 0 1 269.335 3.527 20 0 CHADMN C[C@@H](N[C@H]1C[C@H](C)Sc2sccc21)c1cn[nH]c1 ZINC000222509511 1121044222 /nfs/dbraw/zinc/04/42/22/1121044222.db2.gz YACYZHGXLVRCCV-SBMIAAHKSA-N 0 1 279.434 3.747 20 0 CHADMN COc1cncc(CN(C)[C@H](C)c2cccc(Cl)c2)c1 ZINC000343993395 1121045387 /nfs/dbraw/zinc/04/53/87/1121045387.db2.gz VMWLNPPSSDBGHZ-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN Cc1nocc1CN1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625656425 1121047988 /nfs/dbraw/zinc/04/79/88/1121047988.db2.gz XSJJBTUCIPOKDV-CYBMUJFWSA-N 0 1 292.329 3.641 20 0 CHADMN CC(C)Oc1ccnc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)c1 ZINC000625654501 1121048264 /nfs/dbraw/zinc/04/82/64/1121048264.db2.gz UMZAENVGVHKPKW-CHWSQXEVSA-N 0 1 298.377 3.592 20 0 CHADMN CCS[C@H](C)c1noc(CN(CC)C(CC)CC)n1 ZINC000344008266 1121051701 /nfs/dbraw/zinc/05/17/01/1121051701.db2.gz ALWAAALGHFFOPK-LLVKDONJSA-N 0 1 285.457 3.894 20 0 CHADMN COc1ccc(N2N=C3CCCCC[C@H]3C2=O)cc1Cl ZINC000634614842 1128959435 /nfs/dbraw/zinc/95/94/35/1128959435.db2.gz PSPOAGQDQDGJEK-LLVKDONJSA-N 0 1 292.766 3.632 20 0 CHADMN COc1ccc(-n2[nH]c3c(c2=O)CCCCC3)cc1Cl ZINC000634614842 1128959438 /nfs/dbraw/zinc/95/94/38/1128959438.db2.gz PSPOAGQDQDGJEK-LLVKDONJSA-N 0 1 292.766 3.632 20 0 CHADMN Cc1cc(Nc2cc(F)ccc2C)n(-c2ccncc2)n1 ZINC001174886490 1121060379 /nfs/dbraw/zinc/06/03/79/1121060379.db2.gz ZTRREBWKDHMZRQ-UHFFFAOYSA-N 0 1 282.322 3.767 20 0 CHADMN Cc1ccc(F)cc1Nc1cccc(N2CCN(C)CC2)c1 ZINC001174884975 1121060501 /nfs/dbraw/zinc/06/05/01/1121060501.db2.gz WLWYMYFWARTIQK-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN Cc1ccc(NC(=O)[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000050024159 1121077978 /nfs/dbraw/zinc/07/79/78/1121077978.db2.gz ZTXRMKNKRKWIAL-GOSISDBHSA-N 0 1 294.398 3.598 20 0 CHADMN Cc1cc(Nc2ccc(C)c(N)c2)c2ccccc2n1 ZINC001174929131 1121079168 /nfs/dbraw/zinc/07/91/68/1121079168.db2.gz FBKARYZZFKJMON-UHFFFAOYSA-N 0 1 263.344 3.599 20 0 CHADMN CCC(C)(C)NC(=O)[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000037980673 1121090253 /nfs/dbraw/zinc/09/02/53/1121090253.db2.gz INVBTRUUQYOLCN-NEPJUHHUSA-N 0 1 296.842 3.684 20 0 CHADMN COCc1ccc(Nc2cc(C)nc3ccccc32)cc1 ZINC001174917041 1121092184 /nfs/dbraw/zinc/09/21/84/1121092184.db2.gz NZPZRRJFVXZNAW-UHFFFAOYSA-N 0 1 278.355 3.855 20 0 CHADMN Cc1ncsc1CN1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000335165217 1121095830 /nfs/dbraw/zinc/09/58/30/1121095830.db2.gz QJFBPGOOVQPZFV-VHSXEESVSA-N 0 1 278.343 3.614 20 0 CHADMN Fc1cccc(CCCN2CCCC(F)(F)[C@H](F)C2)c1 ZINC001207599794 1121101586 /nfs/dbraw/zinc/10/15/86/1121101586.db2.gz YDQHHNIZLYQYJR-CQSZACIVSA-N 0 1 289.316 3.828 20 0 CHADMN CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000512127650 1121106632 /nfs/dbraw/zinc/10/66/32/1121106632.db2.gz BLSDSVYRWHBXFP-ZIAGYGMSSA-N 0 1 295.496 3.509 20 0 CHADMN CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000512127647 1121107207 /nfs/dbraw/zinc/10/72/07/1121107207.db2.gz BLSDSVYRWHBXFP-KGLIPLIRSA-N 0 1 295.496 3.509 20 0 CHADMN CSCC[C@@H](C)[N@@H+](C)Cc1cnc(C2CC2)s1 ZINC000093558954 1128963144 /nfs/dbraw/zinc/96/31/44/1128963144.db2.gz HGNLDLPNMUUTCU-SNVBAGLBSA-N 0 1 270.467 3.594 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2cc3cnccc3o2)cn1 ZINC000658032118 1121122866 /nfs/dbraw/zinc/12/28/66/1121122866.db2.gz NHOSLUXJIZOIAN-CYBMUJFWSA-N 0 1 281.359 3.690 20 0 CHADMN CCOc1cc(F)cc(Nc2nnc(-c3ccco3)o2)c1 ZINC001175002397 1121127824 /nfs/dbraw/zinc/12/78/24/1121127824.db2.gz WVYNWTCJMAXUNO-UHFFFAOYSA-N 0 1 289.266 3.611 20 0 CHADMN Cc1ccc(-c2cc(-c3nc(C4CCCC4)no3)[nH]n2)o1 ZINC000171794565 1121130032 /nfs/dbraw/zinc/13/00/32/1121130032.db2.gz OEXAUWNRVBYZJR-UHFFFAOYSA-N 0 1 284.319 3.686 20 0 CHADMN C[C@H](c1ccncc1)N(C)Cc1cc2ccccc2[nH]1 ZINC000674505418 1121139313 /nfs/dbraw/zinc/13/93/13/1121139313.db2.gz GONRPJBMEFCUDN-CYBMUJFWSA-N 0 1 265.360 3.756 20 0 CHADMN CSc1ccc2nc(-c3ccc(-c4cc[nH]n4)o3)[nH]c2c1 ZINC000432507143 1121139545 /nfs/dbraw/zinc/13/95/45/1121139545.db2.gz QATYGCZTVDXQRC-UHFFFAOYSA-N 0 1 296.355 3.935 20 0 CHADMN CSCC[C@H](C)NCc1nccc(Cl)c1Cl ZINC001258206459 1128965544 /nfs/dbraw/zinc/96/55/44/1128965544.db2.gz HZJQEQLYJKUHHL-QMMMGPOBSA-N 0 1 279.236 3.620 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1CCCCC[C@@H]1C ZINC000512182102 1121144867 /nfs/dbraw/zinc/14/48/67/1121144867.db2.gz IRWJJQOYQZMGEZ-ZDUSSCGKSA-N 0 1 294.826 3.851 20 0 CHADMN CC(C)(C)OCCNCc1csc(Cl)c1Cl ZINC000309416458 1121146335 /nfs/dbraw/zinc/14/63/35/1121146335.db2.gz YTXXSRZOKCBXNO-UHFFFAOYSA-N 0 1 282.236 3.960 20 0 CHADMN C[C@H](NC1(c2ccccc2)CC1)c1ccnn1C1CCC1 ZINC000925825654 1121151000 /nfs/dbraw/zinc/15/10/00/1121151000.db2.gz HKAINDVRWGFCOZ-AWEZNQCLSA-N 0 1 281.403 3.948 20 0 CHADMN COc1cc2ccnc(N3[C@H](C)CC[C@H]3C)c2cc1OC ZINC000663711585 1121152652 /nfs/dbraw/zinc/15/26/52/1121152652.db2.gz BYLBJVZTXZJXHC-VXGBXAGGSA-N 0 1 286.375 3.629 20 0 CHADMN O=C([O-])[C@]12CCC[C@@H]1C[N@@H+](CCCC1CCCCC1)C2 ZINC000701568168 1121158702 /nfs/dbraw/zinc/15/87/02/1121158702.db2.gz SFIOTEXIGYTNMD-WBVHZDCISA-N 0 1 279.424 3.534 20 0 CHADMN CCOc1cc(Nc2ccnn2-c2ccncc2)ccc1F ZINC001175049844 1121159987 /nfs/dbraw/zinc/15/99/87/1121159987.db2.gz LAEPHQWGMNVEFZ-UHFFFAOYSA-N 0 1 298.321 3.549 20 0 CHADMN Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(C)C)cc1C(=O)[O-] ZINC000701821702 1121170435 /nfs/dbraw/zinc/17/04/35/1121170435.db2.gz APFNSIURMDTIQK-MRXNPFEDSA-N 0 1 275.392 3.704 20 0 CHADMN Cc1nc([C@H](C)NCCc2cc(F)cc(F)c2)cs1 ZINC000060717896 1121173625 /nfs/dbraw/zinc/17/36/25/1121173625.db2.gz PYRFMSCIDZKAAI-VIFPVBQESA-N 0 1 282.359 3.623 20 0 CHADMN C[C@@H](NC1(c2ccccc2)CC1)c1cc(O)cc(F)c1 ZINC000925827522 1121173847 /nfs/dbraw/zinc/17/38/47/1121173847.db2.gz VKTUPPCBBWXLGX-GFCCVEGCSA-N 0 1 271.335 3.871 20 0 CHADMN CN(CC(=O)Nc1ccccc1Cl)CC1CCCCC1 ZINC000007727789 1121175128 /nfs/dbraw/zinc/17/51/28/1121175128.db2.gz WPOGEPNWKXPVDW-UHFFFAOYSA-N 0 1 294.826 3.791 20 0 CHADMN CCOc1ccc(F)cc1Nc1ccnn1-c1ccncc1 ZINC001175081070 1121175576 /nfs/dbraw/zinc/17/55/76/1121175576.db2.gz ALZYFYZLWYATPO-UHFFFAOYSA-N 0 1 298.321 3.549 20 0 CHADMN C[C@H]1OCCN(Cc2ccc(C3CCC3)cc2)[C@@H]1C ZINC000351599083 1121184727 /nfs/dbraw/zinc/18/47/27/1121184727.db2.gz AVWRUWGBMGVBQB-ZIAGYGMSSA-N 0 1 259.393 3.563 20 0 CHADMN C[C@@]1(c2ccccc2)CCN(Cc2noc3c2CCCC3)C1 ZINC000674870356 1121189744 /nfs/dbraw/zinc/18/97/44/1121189744.db2.gz SYWSBZIJLRCVQU-LJQANCHMSA-N 0 1 296.414 3.717 20 0 CHADMN C[C@@H]1c2c(F)cccc2CCN1CCCOC(C)(C)C ZINC000674909747 1121196972 /nfs/dbraw/zinc/19/69/72/1121196972.db2.gz TWLJZTFKXJHDQZ-CYBMUJFWSA-N 0 1 279.399 3.950 20 0 CHADMN Fc1ccc2oc(CN3CC[C@H](c4ccco4)C3)nc2c1 ZINC000674908756 1121197166 /nfs/dbraw/zinc/19/71/66/1121197166.db2.gz TWSVBFPKLPQKCO-NSHDSACASA-N 0 1 286.306 3.549 20 0 CHADMN CC(C)Oc1cc(F)cc(-n2c(N)nc3ccccc32)c1 ZINC001175139336 1121197687 /nfs/dbraw/zinc/19/76/87/1121197687.db2.gz GKHOQMYTKRPAJN-UHFFFAOYSA-N 0 1 285.322 3.534 20 0 CHADMN FC(F)(F)CCNCc1nc(-c2ccccc2)cs1 ZINC000063099680 1121198399 /nfs/dbraw/zinc/19/83/99/1121198399.db2.gz PWAUTOYUKJRNOB-UHFFFAOYSA-N 0 1 286.322 3.852 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1ccnn1C)c1ccccc1F ZINC000658169103 1121201195 /nfs/dbraw/zinc/20/11/95/1121201195.db2.gz ZCURAVNJURAAOZ-MLGOLLRUSA-N 0 1 275.371 3.607 20 0 CHADMN CC(C)Oc1cccc(CNc2ccc3c[nH]nc3c2)c1 ZINC000040640481 1121207380 /nfs/dbraw/zinc/20/73/80/1121207380.db2.gz DSDQHGXHCIJRSM-UHFFFAOYSA-N 0 1 281.359 3.962 20 0 CHADMN c1csc([C@@H]2CN(CC3CCCCC3)CCO2)c1 ZINC000512229952 1121213872 /nfs/dbraw/zinc/21/38/72/1121213872.db2.gz UCLLVJLUXVECEY-AWEZNQCLSA-N 0 1 265.422 3.702 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1cnn(CC(F)(F)F)c1 ZINC000349524109 1121217868 /nfs/dbraw/zinc/21/78/68/1121217868.db2.gz RNPGKTKIQOJLQF-LBPRGKRZSA-N 0 1 297.324 3.638 20 0 CHADMN CCC[C@@](C)(CC)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000337622199 1121220432 /nfs/dbraw/zinc/22/04/32/1121220432.db2.gz BDHZDHLJNPYKCL-LLVKDONJSA-N 0 1 277.290 3.583 20 0 CHADMN Cc1cc(CN2CCC[C@H](Cc3ccc(C)cc3)C2)no1 ZINC000051064039 1121222144 /nfs/dbraw/zinc/22/21/44/1121222144.db2.gz UXGRAAIQAJUOPV-QGZVFWFLSA-N 0 1 284.403 3.746 20 0 CHADMN CC[C@H]1C[C@@H](CN2Cc3cccc(Cl)c3C2)CCO1 ZINC000809772431 1121225324 /nfs/dbraw/zinc/22/53/24/1121225324.db2.gz XRHZPTIKEXINKP-JSGCOSHPSA-N 0 1 279.811 3.861 20 0 CHADMN COc1ccc(CNCc2ccc3cccnc3c2)c(F)c1 ZINC000675155209 1121226718 /nfs/dbraw/zinc/22/67/18/1121226718.db2.gz DNMWPEJJLXMCQN-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN O=C([O-])c1cc(Nc2ccc3c[nH+]ccc3c2)ccc1F ZINC001175218594 1121228441 /nfs/dbraw/zinc/22/84/41/1121228441.db2.gz HDRMFFUUYDRLDY-UHFFFAOYSA-N 0 1 282.274 3.816 20 0 CHADMN Cc1cccc2nc(C[N@H+]3CCC[C@@H]3c3ccccc3)cn21 ZINC000051180492 1121232781 /nfs/dbraw/zinc/23/27/81/1121232781.db2.gz CRGQBLNJHCJZFQ-GOSISDBHSA-N 0 1 291.398 3.980 20 0 CHADMN Cc1cccc2nc(CN3CCC[C@@H]3c3ccccc3)cn21 ZINC000051180492 1121232788 /nfs/dbraw/zinc/23/27/88/1121232788.db2.gz CRGQBLNJHCJZFQ-GOSISDBHSA-N 0 1 291.398 3.980 20 0 CHADMN C[C@H](F)CCN[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000351730476 1121233318 /nfs/dbraw/zinc/23/33/18/1121233318.db2.gz OTBZDXSIHZQJBQ-RYUDHWBXSA-N 0 1 262.328 3.740 20 0 CHADMN Cc1cncc(CNCc2ccccc2C(F)(F)F)c1 ZINC000123037758 1121261145 /nfs/dbraw/zinc/26/11/45/1121261145.db2.gz OOVFKOMXFUPUPH-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN C[C@@H](c1nnc(-c2ccccc2)o1)N1CCCC(C)(C)C1 ZINC000112701654 1121261320 /nfs/dbraw/zinc/26/13/20/1121261320.db2.gz OWFXBBODSPMHFF-ZDUSSCGKSA-N 0 1 285.391 3.920 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCCC(C)(C)C1 ZINC000112703093 1121261716 /nfs/dbraw/zinc/26/17/16/1121261716.db2.gz YDDFGKMOZJLSOP-OAHLLOKOSA-N 0 1 288.435 3.752 20 0 CHADMN Cc1cnc(CNCC2(c3ccc(F)cc3Cl)CC2)o1 ZINC000638832663 1121274229 /nfs/dbraw/zinc/27/42/29/1121274229.db2.gz RDHDAJAUSXFUCH-UHFFFAOYSA-N 0 1 294.757 3.597 20 0 CHADMN CC(C)SCCN(C)Cc1cc(F)c(F)c(F)c1 ZINC000338298676 1121280968 /nfs/dbraw/zinc/28/09/68/1121280968.db2.gz TVNLENRYAJSOAC-UHFFFAOYSA-N 0 1 277.355 3.677 20 0 CHADMN C[C@@H]1C[C@H](C)CN(c2ccnc3cc(F)ccc32)C1 ZINC000500478799 1121283929 /nfs/dbraw/zinc/28/39/29/1121283929.db2.gz LHFCHYPDMNYARX-TXEJJXNPSA-N 0 1 258.340 3.856 20 0 CHADMN CN(Cc1csc(Cl)c1Cl)CC1CCOCC1 ZINC000432739158 1121304055 /nfs/dbraw/zinc/30/40/55/1121304055.db2.gz WPTGVQFIQOEXMQ-UHFFFAOYSA-N 0 1 294.247 3.913 20 0 CHADMN COc1cccc(CN2C[C@@H](C)[C@H]2c2ccccc2)c1OC ZINC000093867502 1128975968 /nfs/dbraw/zinc/97/59/68/1128975968.db2.gz NDXHKWDPGUSXFO-KDOFPFPSSA-N 0 1 297.398 3.897 20 0 CHADMN Cc1cc(C)nc(Nc2ccc(-n3cccn3)cc2)c1 ZINC001175365285 1121299520 /nfs/dbraw/zinc/29/95/20/1121299520.db2.gz HOXQNMOJVZLDDI-UHFFFAOYSA-N 0 1 264.332 3.628 20 0 CHADMN C[C@@H](NCc1cccc(F)c1F)c1cccc(F)c1 ZINC000042336731 1121301977 /nfs/dbraw/zinc/30/19/77/1121301977.db2.gz GIHCXOLKGFTWOO-SNVBAGLBSA-N 0 1 265.278 3.955 20 0 CHADMN CCn1ccnc1NCc1csc(C(F)(F)F)c1 ZINC000630954303 1128976604 /nfs/dbraw/zinc/97/66/04/1128976604.db2.gz IHBOZUZLNHZHIG-UHFFFAOYSA-N 0 1 275.299 3.595 20 0 CHADMN C[C@H](N[C@@H](CCO)c1cccs1)c1ccc(F)cc1F ZINC000766138273 1121310669 /nfs/dbraw/zinc/31/06/69/1121310669.db2.gz VYMODMWVBJBSHP-HZMBPMFUSA-N 0 1 297.370 3.801 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3ccc(C(F)(F)F)s3)C[C@@H]21 ZINC000432747738 1121314338 /nfs/dbraw/zinc/31/43/38/1121314338.db2.gz LPIMKGHJQRDPKZ-AOOOYVTPSA-N 0 1 275.339 3.855 20 0 CHADMN CCc1ccc(CN[C@@H]2CCc3ccc(C)cc32)o1 ZINC000675471517 1121314874 /nfs/dbraw/zinc/31/48/74/1121314874.db2.gz PEWRBUDFJNQEHD-QGZVFWFLSA-N 0 1 255.361 3.928 20 0 CHADMN CCCC[C@H](CC)CCN1CCC[C@H]1c1nncn1C ZINC000438096785 1121326385 /nfs/dbraw/zinc/32/63/85/1121326385.db2.gz KMZZLMNYTCBKNW-GJZGRUSLSA-N 0 1 278.444 3.559 20 0 CHADMN CCCCC[C@@H]1CCCCN1Cc1nnc2n1CCCC2 ZINC000662156109 1121330367 /nfs/dbraw/zinc/33/03/67/1121330367.db2.gz PDTBMILNARXHDX-OAHLLOKOSA-N 0 1 290.455 3.549 20 0 CHADMN Cc1cc([C@@H]2CN(CC3(C)CCC3)CCO2)ccc1F ZINC000432775518 1121334859 /nfs/dbraw/zinc/33/48/59/1121334859.db2.gz VBLDYNDJSRKBQV-INIZCTEOSA-N 0 1 277.383 3.698 20 0 CHADMN Cc1nc2cc(Nc3cccc4c3CCCO4)ccc2[nH]1 ZINC001213077402 1121334960 /nfs/dbraw/zinc/33/49/60/1121334960.db2.gz VWMCYEPBBZERHL-UHFFFAOYSA-N 0 1 279.343 3.940 20 0 CHADMN Cn1ccc([C@H]2CCCN(Cc3ccsc3Cl)C2)n1 ZINC000932129474 1121336724 /nfs/dbraw/zinc/33/67/24/1121336724.db2.gz BUOOBYHTTPSHOI-NSHDSACASA-N 0 1 295.839 3.515 20 0 CHADMN Cc1ncc(CN2CCc3ccccc3[C@H]2C(C)C)cn1 ZINC000675663888 1121338761 /nfs/dbraw/zinc/33/87/61/1121338761.db2.gz RSROGSMYFLTSQO-GOSISDBHSA-N 0 1 281.403 3.540 20 0 CHADMN CCCCOCCN1CCC[C@](F)(c2ccccc2)C1 ZINC001175490560 1121341176 /nfs/dbraw/zinc/34/11/76/1121341176.db2.gz FPVKRUILCHAJRT-QGZVFWFLSA-N 0 1 279.399 3.764 20 0 CHADMN CCC(C)(C)[C@@H]1CCCN1Cc1nnc(C(C)(C)C)[nH]1 ZINC000432781339 1121346518 /nfs/dbraw/zinc/34/65/18/1121346518.db2.gz NRTGNTSERPRCMV-LBPRGKRZSA-N 0 1 278.444 3.503 20 0 CHADMN Cc1nc(N=C2CCN(Cc3ccccc3)CC2)sc1C ZINC001175504658 1121350562 /nfs/dbraw/zinc/35/05/62/1121350562.db2.gz AMEFRYDQQRAWQV-UHFFFAOYSA-N 0 1 299.443 3.962 20 0 CHADMN Cc1nc2c(s1)[C@@H](NCc1ccoc1C)CCC2 ZINC000675779091 1121355550 /nfs/dbraw/zinc/35/55/50/1121355550.db2.gz DMKBQNGNMLXDRU-LBPRGKRZSA-N 0 1 262.378 3.520 20 0 CHADMN Cc1occc1CN[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000675779869 1121357396 /nfs/dbraw/zinc/35/73/96/1121357396.db2.gz QQONXRILBQAHEL-LBPRGKRZSA-N 0 1 287.359 3.600 20 0 CHADMN Cc1cc(-n2ccc3c2cc(N)cc3F)cc2cn[nH]c21 ZINC001175520041 1121361252 /nfs/dbraw/zinc/36/12/52/1121361252.db2.gz UKZLSJHHWOCFTQ-UHFFFAOYSA-N 0 1 280.306 3.537 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1n[nH]c(C(C)(C)C)n1 ZINC000432800167 1121361896 /nfs/dbraw/zinc/36/18/96/1121361896.db2.gz LAFNAHSEDMRZQS-KAMYIIQDSA-N 0 1 298.434 3.638 20 0 CHADMN Cc1cc(N2CCCOC(C)(C)C2)c2cc(F)ccc2n1 ZINC000675792381 1121362485 /nfs/dbraw/zinc/36/24/85/1121362485.db2.gz GQRZMSRTTHUEKS-UHFFFAOYSA-N 0 1 288.366 3.688 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(=O)[nH]n1C1CCCC1 ZINC001175524292 1121363114 /nfs/dbraw/zinc/36/31/14/1121363114.db2.gz AYHQEHZTDCIFTJ-UHFFFAOYSA-N 0 1 297.362 3.632 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(F)ccc1F ZINC001175525937 1121364975 /nfs/dbraw/zinc/36/49/75/1121364975.db2.gz KYOQXLRSXIJBOQ-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN COC(=O)c1ccc(F)c(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175525803 1121365931 /nfs/dbraw/zinc/36/59/31/1121365931.db2.gz GCCPFOQTMOXVJV-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(C)c(O)cc1C ZINC001175525748 1121365951 /nfs/dbraw/zinc/36/59/51/1121365951.db2.gz IBYWAEQYDTXQBA-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2nsnc2c1 ZINC001175525666 1121366312 /nfs/dbraw/zinc/36/63/12/1121366312.db2.gz FNZLAURQGNAQMQ-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN CCC[C@H](N[C@H](C)c1cncs1)c1ccccn1 ZINC000675815936 1121367159 /nfs/dbraw/zinc/36/71/59/1121367159.db2.gz HJZVRBJLVGTUGA-YPMHNXCESA-N 0 1 261.394 3.730 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccnc1Cl ZINC001175526559 1121367191 /nfs/dbraw/zinc/36/71/91/1121367191.db2.gz ZKLSFEXTKKODPF-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1c(Cl)cccc1CO ZINC001175526764 1121367854 /nfs/dbraw/zinc/36/78/54/1121367854.db2.gz SIHFCSMMBXTKFR-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN CCOc1ccccc1CNCc1ccc(C(F)F)nc1 ZINC000631050328 1128980861 /nfs/dbraw/zinc/98/08/61/1128980861.db2.gz YETKULTVTNYCHK-UHFFFAOYSA-N 0 1 292.329 3.708 20 0 CHADMN COc1c(F)c(F)ccc1Nc1c2cn[nH]c2ccc1C ZINC001175527017 1121368267 /nfs/dbraw/zinc/36/82/67/1121368267.db2.gz AYVPVXWQNASTGZ-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1ccc2[nH]ncc2c1N1CCCc2c(N)cccc21 ZINC001175527841 1121370251 /nfs/dbraw/zinc/37/02/51/1121370251.db2.gz YIBSMZKKGFENLD-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2c(c1)[C@@H](O)CC2 ZINC001175527687 1121371190 /nfs/dbraw/zinc/37/11/90/1121371190.db2.gz QDSSWCBIWVXEPN-INIZCTEOSA-N 0 1 279.343 3.595 20 0 CHADMN CCc1cccc(N[C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000675859139 1121374731 /nfs/dbraw/zinc/37/47/31/1121374731.db2.gz IOCSWBQNOOWVSZ-MRXNPFEDSA-N 0 1 278.359 3.569 20 0 CHADMN Cc1ccc(CNCc2ccncc2Br)s1 ZINC000631046412 1128981315 /nfs/dbraw/zinc/98/13/15/1128981315.db2.gz HGOKHEWBKBEVKI-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN CC[C@H](NCc1cc(C)n[nH]1)c1ccc(OC(F)F)cc1 ZINC000675893529 1121375781 /nfs/dbraw/zinc/37/57/81/1121375781.db2.gz NZHPSCPREOADJA-AWEZNQCLSA-N 0 1 295.333 3.560 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc3cc(C)c(C)cc3o2)n[nH]1 ZINC000675892157 1121376728 /nfs/dbraw/zinc/37/67/28/1121376728.db2.gz KIBQGKLZJXVUHI-ZDUSSCGKSA-N 0 1 283.375 3.932 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc3cc(C)c(C)cc3o2)[nH]n1 ZINC000675892157 1121376736 /nfs/dbraw/zinc/37/67/36/1121376736.db2.gz KIBQGKLZJXVUHI-ZDUSSCGKSA-N 0 1 283.375 3.932 20 0 CHADMN CCOC(=O)c1cc(NC=Cc2ccc(Cl)cc2)on1 ZINC001175596873 1121378329 /nfs/dbraw/zinc/37/83/29/1121378329.db2.gz JDNSJLIQMZWZNJ-BQYQJAHWSA-N 0 1 292.722 3.588 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@@H](C)C(C)C ZINC000763544613 1128981515 /nfs/dbraw/zinc/98/15/15/1128981515.db2.gz RXFNIKBIMRCQAD-LBPRGKRZSA-N 0 1 272.348 3.586 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)o1 ZINC000675881697 1121379788 /nfs/dbraw/zinc/37/97/88/1121379788.db2.gz MRBCKUDUQFLOFM-MNOVXSKESA-N 0 1 299.374 3.836 20 0 CHADMN Clc1cccc(N[C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000675877068 1121380470 /nfs/dbraw/zinc/38/04/70/1121380470.db2.gz BEUKUQLTJLCPKC-CQSZACIVSA-N 0 1 284.750 3.660 20 0 CHADMN CCCCN(Cc1cnn(C)c1C)[C@H](C)c1ccc(C)o1 ZINC000675887823 1121381542 /nfs/dbraw/zinc/38/15/42/1121381542.db2.gz QWFRPIHYAICDRD-OAHLLOKOSA-N 0 1 289.423 3.993 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000509536270 1121388406 /nfs/dbraw/zinc/38/84/06/1121388406.db2.gz BAPDITAEEIDBAX-GFCCVEGCSA-N 0 1 297.826 3.979 20 0 CHADMN CCCCc1ccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000675940903 1121390376 /nfs/dbraw/zinc/39/03/76/1121390376.db2.gz GSGNQQNUHSZYCT-MRXNPFEDSA-N 0 1 297.402 3.560 20 0 CHADMN CC(C)(C)C=CNc1c2ccccc2oc1C(N)=O ZINC001175569807 1121391417 /nfs/dbraw/zinc/39/14/17/1121391417.db2.gz ZEUJDJJSQOWRTA-CMDGGOBGSA-N 0 1 258.321 3.503 20 0 CHADMN CC(C)c1nnc(-c2ccccc2NC(=O)CC2(C)CC2)[nH]1 ZINC000429587448 1121391297 /nfs/dbraw/zinc/39/12/97/1121391297.db2.gz ARVFEYIGWUMAKH-UHFFFAOYSA-N 0 1 298.390 3.724 20 0 CHADMN C[C@H]1CC[C@@H]([N@@H+](C)Cc2csc(C3CC3)n2)C1 ZINC000429587942 1121391391 /nfs/dbraw/zinc/39/13/91/1121391391.db2.gz FWJWUQFONUBRGM-GXFFZTMASA-N 0 1 250.411 3.641 20 0 CHADMN C[C@H]1CC[C@@H](N(C)Cc2csc(C3CC3)n2)C1 ZINC000429587942 1121391401 /nfs/dbraw/zinc/39/14/01/1121391401.db2.gz FWJWUQFONUBRGM-GXFFZTMASA-N 0 1 250.411 3.641 20 0 CHADMN Cn1ccnc1[C@@H](NC[C@@H]1CC=CCC1)c1cccc(F)c1 ZINC000237898871 1121392275 /nfs/dbraw/zinc/39/22/75/1121392275.db2.gz XFDBIILXXMQCQJ-PBHICJAKSA-N 0 1 299.393 3.595 20 0 CHADMN CO[C@H](C)c1nc(CN[C@H](C)Cc2cccs2)cs1 ZINC000675930229 1121392438 /nfs/dbraw/zinc/39/24/38/1121392438.db2.gz PQXWANYDMGHMFE-GHMZBOCLSA-N 0 1 296.461 3.633 20 0 CHADMN CC[N@@H+](Cc1c(C)cc(C(C)(C)C)cc1C)[C@H](C)C(=O)[O-] ZINC000662215785 1121393374 /nfs/dbraw/zinc/39/33/74/1121393374.db2.gz IEPXUXJNOAHHNJ-CQSZACIVSA-N 0 1 291.435 3.896 20 0 CHADMN CN1CCC=C(Nc2cnc3ccc(Cl)cc3c2)C1 ZINC001175577788 1121395539 /nfs/dbraw/zinc/39/55/39/1121395539.db2.gz ZLNKORBVSCSXPM-UHFFFAOYSA-N 0 1 273.767 3.520 20 0 CHADMN CC(C)CC[C@H]1CCCN1Cc1nc2ccccc2c(=O)[nH]1 ZINC000676041404 1121400047 /nfs/dbraw/zinc/40/00/47/1121400047.db2.gz DYZLROQPIXHFCG-CQSZACIVSA-N 0 1 299.418 3.736 20 0 CHADMN CN(Cc1ccc(F)cc1F)[C@H]1C[C@H]1c1ccccc1 ZINC000676043644 1121401015 /nfs/dbraw/zinc/40/10/15/1121401015.db2.gz KFDGXBBLIQBRDY-RDJZCZTQSA-N 0 1 273.326 3.953 20 0 CHADMN c1cc(CNCc2coc3ccccc23)n(CC2CCC2)n1 ZINC000631071917 1128983129 /nfs/dbraw/zinc/98/31/29/1128983129.db2.gz OOMCYWPYKLMLLM-UHFFFAOYSA-N 0 1 295.386 3.719 20 0 CHADMN CC[C@@H](CN(Cc1ccco1)Cc1ccccc1)OC ZINC000419181643 1121409080 /nfs/dbraw/zinc/40/90/80/1121409080.db2.gz GIKVGKJNPFRGJC-INIZCTEOSA-N 0 1 273.376 3.707 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccnn3-c3ccccc3)cc12 ZINC001175694979 1121414873 /nfs/dbraw/zinc/41/48/73/1121414873.db2.gz VDPRCJPAYURVDG-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN COc1ncc(Nc2ccc3n[nH]c(C)c3c2)cc1Cl ZINC001175695148 1121414928 /nfs/dbraw/zinc/41/49/28/1121414928.db2.gz XCZMUZAUBIHCLG-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1cc(Nc2ccc3n[nH]c(C)c3c2)n(CC2CC2)n1 ZINC001175699169 1121416659 /nfs/dbraw/zinc/41/66/59/1121416659.db2.gz LCPFXIBHQNTJES-UHFFFAOYSA-N 0 1 281.363 3.530 20 0 CHADMN COc1cccc(Nc2ccc3n[nH]c(C)c3c2)c1OC ZINC001175699320 1121416798 /nfs/dbraw/zinc/41/67/98/1121416798.db2.gz MWXAGVITVWWZAD-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cnc4c(ccn4C)c3)cc12 ZINC001175695688 1121416846 /nfs/dbraw/zinc/41/68/46/1121416846.db2.gz MAPTUERQYYTDHN-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN CSc1cc(Nc2ccc3n[nH]c(C)c3c2)ccn1 ZINC001175699470 1121418372 /nfs/dbraw/zinc/41/83/72/1121418372.db2.gz PMWBPUCYMXTZMX-UHFFFAOYSA-N 0 1 270.361 3.732 20 0 CHADMN CC1(C)c2ccccc2-c2ccc(-n3cncc3N)cc21 ZINC001175701185 1121419544 /nfs/dbraw/zinc/41/95/44/1121419544.db2.gz ALMGFQJKVOIZKS-UHFFFAOYSA-N 0 1 275.355 3.761 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(O)c(Cl)c3)cc12 ZINC001175700687 1121419672 /nfs/dbraw/zinc/41/96/72/1121419672.db2.gz RRXHAKWIIQDRNN-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4c(c3)N(C)CCC4)cc21 ZINC001175700802 1121419890 /nfs/dbraw/zinc/41/98/90/1121419890.db2.gz YJJZXSRMGLITPT-UHFFFAOYSA-N 0 1 292.386 3.997 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4cncnc4c3)cc21 ZINC001175702639 1121420596 /nfs/dbraw/zinc/42/05/96/1121420596.db2.gz RODGRIQBJIXTJN-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(O)c(C)cc3F)cc12 ZINC001175702239 1121420997 /nfs/dbraw/zinc/42/09/97/1121420997.db2.gz PWEAQMRFECZFNV-UHFFFAOYSA-N 0 1 271.295 3.768 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(C)cc(C)n3)ccc21 ZINC001175656399 1121421604 /nfs/dbraw/zinc/42/16/04/1121421604.db2.gz AISWQXYGEVHTLJ-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN CCn1ncc2ccc(NCc3[nH]nc4ccccc43)cc21 ZINC000676320904 1121422643 /nfs/dbraw/zinc/42/26/43/1121422643.db2.gz LQXFPHAOEHPACL-UHFFFAOYSA-N 0 1 291.358 3.545 20 0 CHADMN Cc1[nH]nc2cc(Nc3cnccc3OC(F)F)ccc12 ZINC001175659458 1121423596 /nfs/dbraw/zinc/42/35/96/1121423596.db2.gz BRRCFSIUYHPCED-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(C4CCC4)no3)ccc12 ZINC001175659928 1121424266 /nfs/dbraw/zinc/42/42/66/1121424266.db2.gz RDDMATSYGSMKGL-UHFFFAOYSA-N 0 1 268.320 3.870 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(C(F)F)cn3)ccc12 ZINC001175661432 1121424537 /nfs/dbraw/zinc/42/45/37/1121424537.db2.gz LQLXZFCYRLJGTO-UHFFFAOYSA-N 0 1 274.274 3.948 20 0 CHADMN CCC[C@H](NCc1ccc(=O)[nH]c1)c1ccc(F)cc1F ZINC000631091852 1128984475 /nfs/dbraw/zinc/98/44/75/1128984475.db2.gz VCYILMGJNOPFFZ-HNNXBMFYSA-N 0 1 292.329 3.696 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc([C@H](C)O)c3)ccc12 ZINC001175661606 1121425044 /nfs/dbraw/zinc/42/50/44/1121425044.db2.gz ONOQXYMHRQQNHP-NSHDSACASA-N 0 1 267.332 3.668 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc(C4CC4)n3)ccc21 ZINC001175660643 1121425141 /nfs/dbraw/zinc/42/51/41/1121425141.db2.gz TYKAMPPYCQTEBR-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN COc1cccc(Nc2ccc3c(c2)n[nH]c3C)c1C ZINC001175662477 1121425677 /nfs/dbraw/zinc/42/56/77/1121425677.db2.gz NYKMOTFNOHDKIL-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN COc1c(F)cccc1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001143537502 1121426027 /nfs/dbraw/zinc/42/60/27/1121426027.db2.gz ZAXOTZABDMGUBL-UHFFFAOYSA-N 0 1 295.373 3.939 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(N)cc3Cl)ccc12 ZINC001175662575 1121426217 /nfs/dbraw/zinc/42/62/17/1121426217.db2.gz SFPZXUVNNFJBKD-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4c(c3)ncn4C)ccc12 ZINC001175662378 1121426387 /nfs/dbraw/zinc/42/63/87/1121426387.db2.gz JLSODKBENCZIMA-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Fc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC2(CC2)C1 ZINC001143538205 1121427483 /nfs/dbraw/zinc/42/74/83/1121427483.db2.gz KIQHJANKFJGXQG-UHFFFAOYSA-N 0 1 289.272 3.710 20 0 CHADMN Fc1ccc(OC(F)(F)F)cc1CN1CCC2(CC2)C1 ZINC001143538205 1121427489 /nfs/dbraw/zinc/42/74/89/1121427489.db2.gz KIQHJANKFJGXQG-UHFFFAOYSA-N 0 1 289.272 3.710 20 0 CHADMN Fc1ccc(OC(F)(F)F)cc1C[N@H+]1CCCC12CC2 ZINC001143537869 1121427723 /nfs/dbraw/zinc/42/77/23/1121427723.db2.gz DSHMAAIMLBZLBY-UHFFFAOYSA-N 0 1 289.272 3.853 20 0 CHADMN Fc1ccc(OC(F)(F)F)cc1CN1CCCC12CC2 ZINC001143537869 1121427726 /nfs/dbraw/zinc/42/77/26/1121427726.db2.gz DSHMAAIMLBZLBY-UHFFFAOYSA-N 0 1 289.272 3.853 20 0 CHADMN Cc1nn(C)c2cc(Nc3ccc4c(c3)n[nH]c4C)ccc12 ZINC001175662890 1121427737 /nfs/dbraw/zinc/42/77/37/1121427737.db2.gz IQGUMSZUGPCTCN-UHFFFAOYSA-N 0 1 291.358 3.810 20 0 CHADMN Cc1[nH]nc2cc(-n3ccc4c3cc(N)cc4C)ccc12 ZINC001175663034 1121428054 /nfs/dbraw/zinc/42/80/54/1121428054.db2.gz PKGAACWQDUSAGE-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN CCCN(CC(=O)Nc1ccc2ccccc2c1)C1CC1 ZINC000728931096 1121432691 /nfs/dbraw/zinc/43/26/91/1121432691.db2.gz NZYSKXVZKQFXPU-UHFFFAOYSA-N 0 1 282.387 3.653 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2ocnc2C)cc1 ZINC000893911118 1121439617 /nfs/dbraw/zinc/43/96/17/1121439617.db2.gz QJSAMSKHGBBFAX-MRXNPFEDSA-N 0 1 286.375 3.719 20 0 CHADMN CC(C)COc1ccc(NCc2[nH]nc3ccccc32)cn1 ZINC000676496265 1121439929 /nfs/dbraw/zinc/43/99/29/1121439929.db2.gz VPCXPTMXANXTAC-UHFFFAOYSA-N 0 1 296.374 3.605 20 0 CHADMN Cc1cc(F)cc([C@]2(F)CCN([C@@H]3CCO[C@H](C)C3)C2)c1 ZINC000420967110 1121440773 /nfs/dbraw/zinc/44/07/73/1121440773.db2.gz SOGNKZUSQWEZOO-XYPHTWIQSA-N 0 1 295.373 3.572 20 0 CHADMN CCC[N@@H+](Cc1[nH]nc(C)c1C)Cc1ccc(F)cc1 ZINC000893948666 1121446369 /nfs/dbraw/zinc/44/63/69/1121446369.db2.gz CWDPJJDXWRNJFY-UHFFFAOYSA-N 0 1 275.371 3.578 20 0 CHADMN CCCN(Cc1[nH]nc(C)c1C)Cc1ccc(F)cc1 ZINC000893948666 1121446375 /nfs/dbraw/zinc/44/63/75/1121446375.db2.gz CWDPJJDXWRNJFY-UHFFFAOYSA-N 0 1 275.371 3.578 20 0 CHADMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C)cn1 ZINC000676591290 1121447987 /nfs/dbraw/zinc/44/79/87/1121447987.db2.gz QFWIVESFDSCEGL-SFHVURJKSA-N 0 1 266.388 3.899 20 0 CHADMN Brc1cccnc1CN1C2CCCC1CCC2 ZINC000707183344 1121451923 /nfs/dbraw/zinc/45/19/23/1121451923.db2.gz NFEJRDGXUNHPOB-UHFFFAOYSA-N 0 1 295.224 3.751 20 0 CHADMN C[C@H](c1ccco1)N(C[C@@H]1COc2ccccc2O1)C1CC1 ZINC000676705368 1121457283 /nfs/dbraw/zinc/45/72/83/1121457283.db2.gz OSJGEASKQKXPQQ-UKRRQHHQSA-N 0 1 299.370 3.645 20 0 CHADMN COc1ccc(CNCc2ccc(C3CCC3)cc2)nc1 ZINC000894023254 1121457605 /nfs/dbraw/zinc/45/76/05/1121457605.db2.gz GGKKGGWUWHGRAG-UHFFFAOYSA-N 0 1 282.387 3.648 20 0 CHADMN Cc1cscc1Nc1c(C)nc2ccc(F)cn21 ZINC001175765540 1121458458 /nfs/dbraw/zinc/45/84/58/1121458458.db2.gz OZLHQBFVTXXONQ-UHFFFAOYSA-N 0 1 261.325 3.895 20 0 CHADMN Cc1ccccc1C[C@@H](C)N(C)Cc1nccn1C1CC1 ZINC000894072463 1121466308 /nfs/dbraw/zinc/46/63/08/1121466308.db2.gz VUFFMFWBTJVAOT-OAHLLOKOSA-N 0 1 283.419 3.589 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2ccc(C)cc2F)n[nH]1 ZINC000631119835 1128986250 /nfs/dbraw/zinc/98/62/50/1128986250.db2.gz DNTZWYZTCYSRGN-NEPJUHHUSA-N 0 1 290.386 3.617 20 0 CHADMN Cc1coc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000894087942 1121467484 /nfs/dbraw/zinc/46/74/84/1121467484.db2.gz IAUNSHCRSGKPSQ-DZGCQCFKSA-N 0 1 291.416 3.738 20 0 CHADMN CCC[C@H](C(=O)Nc1cc(C(C)=O)ccc1O)C(C)C ZINC000512554137 1121470900 /nfs/dbraw/zinc/47/09/00/1121470900.db2.gz LFIGJJRRKCVNKN-ZDUSSCGKSA-N 0 1 277.364 3.606 20 0 CHADMN CCn1nc(C)c(CN(C)Cc2cc(C)ccc2C)c1C ZINC000432894980 1121471558 /nfs/dbraw/zinc/47/15/58/1121471558.db2.gz YVPWZZRDNLFNKL-UHFFFAOYSA-N 0 1 285.435 3.769 20 0 CHADMN CCc1nc(C)c(CN(C)Cc2cccc(C)c2C)o1 ZINC000428724439 1121472922 /nfs/dbraw/zinc/47/29/22/1121472922.db2.gz WFWJDYAABCNHSM-UHFFFAOYSA-N 0 1 272.392 3.794 20 0 CHADMN Fc1ccc(CN2CC[C@H]3CC[C@@H](C2)S3)cc1Cl ZINC000625779185 1121494948 /nfs/dbraw/zinc/49/49/48/1121494948.db2.gz SDVJKVSWSYOLCE-NEPJUHHUSA-N 0 1 285.815 3.949 20 0 CHADMN CCc1nocc1CN1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000508810700 1121495624 /nfs/dbraw/zinc/49/56/24/1121495624.db2.gz IUUKSLAFOBLCJB-PXAZEXFGSA-N 0 1 288.366 3.959 20 0 CHADMN CCOC[C@H]1CCCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000246329856 1121497364 /nfs/dbraw/zinc/49/73/64/1121497364.db2.gz HSXXBXKVEDJOTQ-OLZOCXBDSA-N 0 1 283.362 3.774 20 0 CHADMN COc1cccc(CN(Cc2ccc(F)cc2)C(C)C)n1 ZINC000353304437 1121497519 /nfs/dbraw/zinc/49/75/19/1121497519.db2.gz OYRSAOIOHYFCNJ-UHFFFAOYSA-N 0 1 288.366 3.640 20 0 CHADMN CCOC[C@@H]1CCCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000246329850 1121497686 /nfs/dbraw/zinc/49/76/86/1121497686.db2.gz HSXXBXKVEDJOTQ-CHWSQXEVSA-N 0 1 283.362 3.774 20 0 CHADMN COC(=O)C1(c2ccc(Nc3cc(C)cc(C)n3)cc2)CC1 ZINC001175914986 1121497781 /nfs/dbraw/zinc/49/77/81/1121497781.db2.gz WBMWRTVAYCNWKR-UHFFFAOYSA-N 0 1 296.370 3.647 20 0 CHADMN Cn1ccc([C@H](NCC(C)(C)C)c2ccc(Cl)cc2)n1 ZINC000543596423 1121498759 /nfs/dbraw/zinc/49/87/59/1121498759.db2.gz UYRIVYFZSNUWGX-OAHLLOKOSA-N 0 1 291.826 3.799 20 0 CHADMN CC(C)(C)c1nc(CN2CCCCc3sccc32)n[nH]1 ZINC000645003819 1121502319 /nfs/dbraw/zinc/50/23/19/1121502319.db2.gz XFTUCCJSKLMKRH-UHFFFAOYSA-N 0 1 290.436 3.507 20 0 CHADMN C[C@H]1CCCN1Cc1cc(-c2ccccc2Cl)on1 ZINC000419224132 1121503844 /nfs/dbraw/zinc/50/38/44/1121503844.db2.gz ZDGVTRZPTSQZGR-NSHDSACASA-N 0 1 276.767 3.979 20 0 CHADMN C[C@H](NCc1ccncc1)c1cc(Cl)cc2c1OCC2 ZINC000922987589 1121504664 /nfs/dbraw/zinc/50/46/64/1121504664.db2.gz VQWWZIKEWHQEOG-NSHDSACASA-N 0 1 288.778 3.521 20 0 CHADMN C[C@@]1(NCc2ccc(Cl)nc2)CCOc2ccccc21 ZINC000923024153 1121513974 /nfs/dbraw/zinc/51/39/74/1121513974.db2.gz GNRMIVOOQBBGLA-MRXNPFEDSA-N 0 1 288.778 3.523 20 0 CHADMN CC(C)(F)CNCc1ccsc1C(F)(F)F ZINC000631188647 1128990524 /nfs/dbraw/zinc/99/05/24/1128990524.db2.gz HSTUFTRZNPASCN-UHFFFAOYSA-N 0 1 255.280 3.605 20 0 CHADMN CCC[C@H]1C(=O)N(c2nc(-c3ccccc3)cs2)N=C1C ZINC000614186280 1121515851 /nfs/dbraw/zinc/51/58/51/1121515851.db2.gz XVQPRABCSHABGT-CYBMUJFWSA-N 0 1 299.399 3.949 20 0 CHADMN FC(F)(F)c1cnc(CN[C@H]2CCCC23CC3)s1 ZINC000631191285 1128990630 /nfs/dbraw/zinc/99/06/30/1128990630.db2.gz FTOFZUBKUGAEFT-QMMMGPOBSA-N 0 1 276.327 3.584 20 0 CHADMN Cc1ncsc1CCN(C)[C@@H](C)c1c(F)cccc1F ZINC000509296218 1121518426 /nfs/dbraw/zinc/51/84/26/1121518426.db2.gz YBYTXAAPVJZHPW-NSHDSACASA-N 0 1 296.386 3.965 20 0 CHADMN CC[C@H](N[C@@H](c1ccccc1C)C1CC1)c1ccn(C)n1 ZINC000544567622 1121520596 /nfs/dbraw/zinc/52/05/96/1121520596.db2.gz DRNYOIDNELOTOF-FUHWJXTLSA-N 0 1 283.419 3.921 20 0 CHADMN c1cc(Nc2ccc3nn[nH]c3c2)cc(-c2ccncc2)c1 ZINC001176002693 1121521195 /nfs/dbraw/zinc/52/11/95/1121521195.db2.gz RLVXVJMNRCPLCM-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1cc(Nc2ccc3n[nH]nc3c2)cc(-c2ccncc2)c1 ZINC001176002693 1121521199 /nfs/dbraw/zinc/52/11/99/1121521199.db2.gz RLVXVJMNRCPLCM-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1ccc2cc(Nc3ccc4nn[nH]c4c3)ccc2c1 ZINC001176002669 1121522006 /nfs/dbraw/zinc/52/20/06/1121522006.db2.gz QJRUCRUUWJCQEK-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN c1ccc2cc(Nc3ccc4n[nH]nc4c3)ccc2c1 ZINC001176002669 1121522012 /nfs/dbraw/zinc/52/20/12/1121522012.db2.gz QJRUCRUUWJCQEK-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN Fc1cc(F)c(Cl)c(Nc2ccc3nn[nH]c3c2)c1 ZINC001176003386 1121522250 /nfs/dbraw/zinc/52/22/50/1121522250.db2.gz CJCMVJAGQJAWBZ-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN Fc1cc(F)c(Cl)c(Nc2ccc3n[nH]nc3c2)c1 ZINC001176003386 1121522252 /nfs/dbraw/zinc/52/22/52/1121522252.db2.gz CJCMVJAGQJAWBZ-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN CC(C)N1CC[C@H](Oc2c(Cl)cccc2Cl)C1 ZINC001225205860 1121526103 /nfs/dbraw/zinc/52/61/03/1121526103.db2.gz HYKAVQCNYYZPTP-JTQLQIEISA-N 0 1 274.191 3.855 20 0 CHADMN Cc1nc([C@H](C)NC[C@H]2CCC3(CCC3)O2)c(C)s1 ZINC000711428257 1121530711 /nfs/dbraw/zinc/53/07/11/1121530711.db2.gz VWWXUDPSMBBJTO-GXFFZTMASA-N 0 1 280.437 3.512 20 0 CHADMN CC[C@H](CN(C)CC(=O)Nc1ccccc1)c1ccccc1 ZINC000509332365 1121531583 /nfs/dbraw/zinc/53/15/83/1121531583.db2.gz SPUMCEZXJSUEFR-MRXNPFEDSA-N 0 1 296.414 3.751 20 0 CHADMN Cc1scc(CNCc2ccnn2CC2CCC2)c1C ZINC000631208096 1128992247 /nfs/dbraw/zinc/99/22/47/1128992247.db2.gz ZZXRKGOJCZHLLZ-UHFFFAOYSA-N 0 1 289.448 3.651 20 0 CHADMN Cc1scc(CNCc2c[nH]nc2C(C)(C)C)c1C ZINC000631206810 1128992297 /nfs/dbraw/zinc/99/22/97/1128992297.db2.gz NQLBOVZGEATFDL-UHFFFAOYSA-N 0 1 277.437 3.675 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000711487099 1121541174 /nfs/dbraw/zinc/54/11/74/1121541174.db2.gz OIAVGGGCPOVQEM-LBPRGKRZSA-N 0 1 267.394 3.601 20 0 CHADMN Cc1ccoc1CN(C)Cc1ccc(F)c2cccnc12 ZINC000429361751 1121541655 /nfs/dbraw/zinc/54/16/55/1121541655.db2.gz FRHPZLFQTFUQCD-UHFFFAOYSA-N 0 1 284.334 3.907 20 0 CHADMN CCc1noc([C@@H](C)N2CCC[C@@H](c3ccccc3)C2)n1 ZINC000433066233 1121547218 /nfs/dbraw/zinc/54/72/18/1121547218.db2.gz IOFZGDCWQICFAN-UKRRQHHQSA-N 0 1 285.391 3.573 20 0 CHADMN Fc1cccc(OC2CCCC2)c1N=C1CCOCC1 ZINC001176145471 1121549990 /nfs/dbraw/zinc/54/99/90/1121549990.db2.gz IAZINVVHSFSEQF-UHFFFAOYSA-N 0 1 277.339 3.863 20 0 CHADMN CC(=O)c1ccc(OC[C@@H]2CCCCN2C(C)C)c(F)c1 ZINC000663968542 1121552844 /nfs/dbraw/zinc/55/28/44/1121552844.db2.gz GBUSVGBWDKYAOH-HNNXBMFYSA-N 0 1 293.382 3.670 20 0 CHADMN FC(F)(F)CCc1cccc(NCc2cnc[nH]2)c1 ZINC000894111943 1121554349 /nfs/dbraw/zinc/55/43/49/1121554349.db2.gz MITVDNMAAVCXDU-UHFFFAOYSA-N 0 1 269.270 3.517 20 0 CHADMN CCOCCN(Cc1ccccn1)[C@H]1CCc2ccccc21 ZINC000625976897 1121564610 /nfs/dbraw/zinc/56/46/10/1121564610.db2.gz RXCYSTDUEMCJDS-IBGZPJMESA-N 0 1 296.414 3.608 20 0 CHADMN C[C@@H]1CC(F)(F)CCN1CCc1cccc(F)c1F ZINC000625980775 1121566320 /nfs/dbraw/zinc/56/63/20/1121566320.db2.gz POVWIPMOEVKZNF-SNVBAGLBSA-N 0 1 275.289 3.627 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCCNCc1cccc(O)c1Cl ZINC000645145929 1121566956 /nfs/dbraw/zinc/56/69/56/1121566956.db2.gz IHYDFJYDOASSGR-IUODEOHRSA-N 0 1 297.826 3.731 20 0 CHADMN CCCN(Cc1c(C)noc1C)Cc1ccc(OC)cc1 ZINC000614223654 1121568737 /nfs/dbraw/zinc/56/87/37/1121568737.db2.gz KXCNEMWCVHWNDI-UHFFFAOYSA-N 0 1 288.391 3.712 20 0 CHADMN C[C@H](c1cccc2ccccc21)N1CCO[C@@H](CCF)C1 ZINC000626002050 1121572619 /nfs/dbraw/zinc/57/26/19/1121572619.db2.gz FJVILVQDEVLJLE-ZBFHGGJFSA-N 0 1 287.378 3.961 20 0 CHADMN C[C@@H](NCc1cccc2c1CCOC2)c1ccccc1F ZINC000631243330 1128994436 /nfs/dbraw/zinc/99/44/36/1128994436.db2.gz CDWCINSAXUCVPE-CYBMUJFWSA-N 0 1 285.362 3.749 20 0 CHADMN CC(C)c1ocnc1CN(C)[C@H]1CCc2ccccc2C1 ZINC000092796992 1121574608 /nfs/dbraw/zinc/57/46/08/1121574608.db2.gz YGFLZSABOGWIPP-INIZCTEOSA-N 0 1 284.403 3.787 20 0 CHADMN Cc1cc(Nc2cccc(Cl)c2)n(-c2ccncc2)n1 ZINC001176221379 1121579226 /nfs/dbraw/zinc/57/92/26/1121579226.db2.gz HJAARXIKTRPVFW-UHFFFAOYSA-N 0 1 284.750 3.973 20 0 CHADMN CCCc1nc(CN2CC[C@H](CC(C)C)C2)cs1 ZINC000466730426 1121581053 /nfs/dbraw/zinc/58/10/53/1121581053.db2.gz FICXXCAOABTBHI-CYBMUJFWSA-N 0 1 266.454 3.964 20 0 CHADMN CCN(Cc1ccncc1)Cc1cnc2ccc(C)cc2c1 ZINC000411434379 1121584043 /nfs/dbraw/zinc/58/40/43/1121584043.db2.gz ZSFDCEXNOKEZAN-UHFFFAOYSA-N 0 1 291.398 3.960 20 0 CHADMN CCc1ccc(C2=CCN([C@H](C)c3n[nH]c(C)n3)CC2)cc1 ZINC000411449307 1121589091 /nfs/dbraw/zinc/58/90/91/1121589091.db2.gz SPJZVWTYIFOKQN-CYBMUJFWSA-N 0 1 296.418 3.526 20 0 CHADMN CCc1ccc(CN[C@H]2CCc3cc(F)c(OC)cc32)o1 ZINC000509428864 1121589931 /nfs/dbraw/zinc/58/99/31/1121589931.db2.gz FZNMQGTZAOLSST-INIZCTEOSA-N 0 1 289.350 3.767 20 0 CHADMN CCC(=O)CCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000248993065 1121590262 /nfs/dbraw/zinc/59/02/62/1121590262.db2.gz HMUYBFKHCVKAKU-MLGOLLRUSA-N 0 1 275.392 3.737 20 0 CHADMN CC(C)CC[C@@H]1CCCCN1Cc1ncnn1C(C)C ZINC000434476667 1121594324 /nfs/dbraw/zinc/59/43/24/1121594324.db2.gz KTZZMXPBXHTDRZ-HNNXBMFYSA-N 0 1 278.444 3.650 20 0 CHADMN COc1c(C)cc(CN[C@@H](C)c2ccccn2)cc1C ZINC000067183033 1121596854 /nfs/dbraw/zinc/59/68/54/1121596854.db2.gz NFYWALKPUGXHCU-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CC[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)c1cccs1 ZINC000074510229 1121600945 /nfs/dbraw/zinc/60/09/45/1121600945.db2.gz UXVFCGOKQVEJSF-ZIAGYGMSSA-N 0 1 294.464 3.580 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CC[C@H](COC(F)F)C1 ZINC000512797932 1121603495 /nfs/dbraw/zinc/60/34/95/1121603495.db2.gz RRJPAYVQEGLSBZ-ZJUUUORDSA-N 0 1 291.288 3.587 20 0 CHADMN Cc1cccc(C)c1C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000135036117 1121604634 /nfs/dbraw/zinc/60/46/34/1121604634.db2.gz RRVIWWYVZYKZNZ-OAHLLOKOSA-N 0 1 289.419 3.626 20 0 CHADMN Cc1cnc([C@@H](C)NCCOc2c(C)cccc2C)s1 ZINC000411544996 1121605576 /nfs/dbraw/zinc/60/55/76/1121605576.db2.gz WHMCOMBCLGDOPO-CQSZACIVSA-N 0 1 290.432 3.798 20 0 CHADMN CCCCCc1cc(C(=O)N(CC2CC2)C2CCC2)n[nH]1 ZINC000614311324 1121610348 /nfs/dbraw/zinc/61/03/48/1121610348.db2.gz NJJFFYXELJINGS-UHFFFAOYSA-N 0 1 289.423 3.547 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000078723263 1121613766 /nfs/dbraw/zinc/61/37/66/1121613766.db2.gz JSZGZODWMSHZJW-JTQLQIEISA-N 0 1 291.782 3.620 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000078723263 1121613770 /nfs/dbraw/zinc/61/37/70/1121613770.db2.gz JSZGZODWMSHZJW-JTQLQIEISA-N 0 1 291.782 3.620 20 0 CHADMN CC(C)OCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000036807259 1121615804 /nfs/dbraw/zinc/61/58/04/1121615804.db2.gz LADBQAUQBIOOON-UHFFFAOYSA-N 0 1 297.811 3.642 20 0 CHADMN Cc1ccc(C2(CNCc3cocn3)CCC2)cc1C ZINC000433204987 1121617023 /nfs/dbraw/zinc/61/70/23/1121617023.db2.gz JBKQBBKLVQDTDB-UHFFFAOYSA-N 0 1 270.376 3.503 20 0 CHADMN Cc1cc([C@@H]2CCCCN2Cc2cc(F)ccc2F)n[nH]1 ZINC001176473949 1121634512 /nfs/dbraw/zinc/63/45/12/1121634512.db2.gz DUFAZUZAQGRCDB-INIZCTEOSA-N 0 1 291.345 3.724 20 0 CHADMN CC(C)(C[NH2+]Cc1c(F)ccc([O-])c1F)c1ccccc1 ZINC000509847628 1121637028 /nfs/dbraw/zinc/63/70/28/1121637028.db2.gz GLMJZFBEJAXNAS-UHFFFAOYSA-N 0 1 291.341 3.738 20 0 CHADMN CCSc1ccc(Cl)cc1NCc1cnc[nH]1 ZINC000894138672 1121637800 /nfs/dbraw/zinc/63/78/00/1121637800.db2.gz OYUYAMAHHDRSDO-UHFFFAOYSA-N 0 1 267.785 3.787 20 0 CHADMN CCc1ccc(CN2CCC(=O)[C@H]3CCCC[C@@H]32)cc1 ZINC001204173850 1121641047 /nfs/dbraw/zinc/64/10/47/1121641047.db2.gz KPTOHASPQSBJOJ-IRXDYDNUSA-N 0 1 271.404 3.583 20 0 CHADMN CCS[C@H]1CC[C@@H](N(C)Cc2nc3c(s2)CCC3)C1 ZINC000611416648 1121646043 /nfs/dbraw/zinc/64/60/43/1121646043.db2.gz PECYXNDBQSPUHV-NEPJUHHUSA-N 0 1 296.505 3.738 20 0 CHADMN Cc1cc(CN2CC[C@@H](c3cccc(Cl)c3)C2)on1 ZINC000433311504 1121646121 /nfs/dbraw/zinc/64/61/21/1121646121.db2.gz HNROFGNBXTUTHQ-CYBMUJFWSA-N 0 1 276.767 3.626 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2ccc(C)cn2)cc1 ZINC000161729109 1121652899 /nfs/dbraw/zinc/65/28/99/1121652899.db2.gz BJNAKRJBMVPQGC-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN Cc1cc(Nc2ccccc2Cl)n(-c2ccncc2)n1 ZINC001176552638 1121653803 /nfs/dbraw/zinc/65/38/03/1121653803.db2.gz HBOJHQVFCRFEKS-UHFFFAOYSA-N 0 1 284.750 3.973 20 0 CHADMN CN(Cc1ncnn1C(C)(C)C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419332699 1121662179 /nfs/dbraw/zinc/66/21/79/1121662179.db2.gz LCCHGJYRCBNIRQ-ZIAGYGMSSA-N 0 1 292.471 3.680 20 0 CHADMN Cc1nnc(CN(C)[C@H]2CCC[C@H]2C(C)(C)C)n1C1CC1 ZINC000419331089 1121662479 /nfs/dbraw/zinc/66/24/79/1121662479.db2.gz IXSVTZNQFIELSD-CABCVRRESA-N 0 1 290.455 3.568 20 0 CHADMN Cc1ccc(CC(C)(C)NCc2nnc(C(C)C)o2)cc1 ZINC000419338293 1121667875 /nfs/dbraw/zinc/66/78/75/1121667875.db2.gz SAVXYUDMLFQFKP-UHFFFAOYSA-N 0 1 287.407 3.612 20 0 CHADMN CC(C)Cn1ncnc1C[N@@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419338766 1121667978 /nfs/dbraw/zinc/66/79/78/1121667978.db2.gz SWEIGGWMPVRWGS-CABCVRRESA-N 0 1 292.471 3.581 20 0 CHADMN CC(C)Cn1ncnc1CN(C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419338766 1121667981 /nfs/dbraw/zinc/66/79/81/1121667981.db2.gz SWEIGGWMPVRWGS-CABCVRRESA-N 0 1 292.471 3.581 20 0 CHADMN CN(Cc1scnc1C1CC1)Cc1ccccc1 ZINC000494341307 1121672081 /nfs/dbraw/zinc/67/20/81/1121672081.db2.gz YBKYCGDCCHQDOG-UHFFFAOYSA-N 0 1 258.390 3.653 20 0 CHADMN c1c[nH]c([C@@H]2CCCN2Cc2scnc2C2CC2)c1 ZINC000494427166 1121673441 /nfs/dbraw/zinc/67/34/41/1121673441.db2.gz DZAPAFFUOSOJNR-ZDUSSCGKSA-N 0 1 273.405 3.686 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)N(CC(=O)Nc2ccccc2)C1 ZINC000513230894 1121674612 /nfs/dbraw/zinc/67/46/12/1121674612.db2.gz FTYZOEOJGOHCOP-QAPCUYQASA-N 0 1 294.398 3.708 20 0 CHADMN Cc1ccc(CN(C)Cc2scnc2C2CC2)cc1 ZINC000494955268 1121675260 /nfs/dbraw/zinc/67/52/60/1121675260.db2.gz SCBOJDRSQRNTFO-UHFFFAOYSA-N 0 1 272.417 3.961 20 0 CHADMN C[C@H](N[C@@H]1CCCC(C)(C)CC1)c1csnn1 ZINC000398336006 1121719640 /nfs/dbraw/zinc/71/96/40/1121719640.db2.gz PDEYBGFRXDOXRU-WDEREUQCSA-N 0 1 253.415 3.548 20 0 CHADMN O=C(Nc1ncsc1C1CC1)c1ccc(O)c(Cl)c1 ZINC001176737333 1121685468 /nfs/dbraw/zinc/68/54/68/1121685468.db2.gz GPQLRCVFYHFCHE-UHFFFAOYSA-N 0 1 294.763 3.632 20 0 CHADMN O=C([O-])c1ccc(Nc2ccc3c[nH+]ccc3c2)cc1 ZINC001176712182 1121689079 /nfs/dbraw/zinc/68/90/79/1121689079.db2.gz FKXYEGRLJRVSDZ-UHFFFAOYSA-N 0 1 264.284 3.677 20 0 CHADMN Cc1nn(C)c(Cl)c1CN(C)C[C@H](C)c1ccccc1 ZINC000067229127 1121692118 /nfs/dbraw/zinc/69/21/18/1121692118.db2.gz QKFXXZAXYAOAFR-LBPRGKRZSA-N 0 1 291.826 3.617 20 0 CHADMN CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000054298507 1121702439 /nfs/dbraw/zinc/70/24/39/1121702439.db2.gz BFYHUTGKLURISY-OAHLLOKOSA-N 0 1 289.419 3.671 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccc3c(n1)CCCC3)CC2 ZINC000277555115 1121702507 /nfs/dbraw/zinc/70/25/07/1121702507.db2.gz HYODZZSNGDDLQV-IBGZPJMESA-N 0 1 296.389 3.877 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)C1CCC1)c1ncc[nH]1 ZINC000278961331 1121704260 /nfs/dbraw/zinc/70/42/60/1121704260.db2.gz NSLZLAHAENBXAT-SWLSCSKDSA-N 0 1 255.365 3.602 20 0 CHADMN Cc1cccn2cc(CN3CCC[C@@H]3c3ccccc3)nc12 ZINC000054993316 1121704682 /nfs/dbraw/zinc/70/46/82/1121704682.db2.gz OCJGXCBYEVXDIA-GOSISDBHSA-N 0 1 291.398 3.980 20 0 CHADMN CC(C)C(C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])C(C)C ZINC000261714955 1129003607 /nfs/dbraw/zinc/00/36/07/1129003607.db2.gz JTPLPYHWKCLDJO-BMFZPTHFSA-N 0 1 281.440 3.632 20 0 CHADMN Clc1ccc(OCCNCc2ccncc2Cl)cc1 ZINC001177117337 1121711123 /nfs/dbraw/zinc/71/11/23/1121711123.db2.gz RHMYEBQGNARVAJ-UHFFFAOYSA-N 0 1 297.185 3.557 20 0 CHADMN CC(C)(C)Oc1ccc(CNCc2ccoc2)cc1 ZINC000727468989 1121721009 /nfs/dbraw/zinc/72/10/09/1121721009.db2.gz RBBYOLPHRVCNHH-UHFFFAOYSA-N 0 1 259.349 3.747 20 0 CHADMN CCOc1ccccc1[C@@H](CC)NCc1ccoc1 ZINC000727470440 1121721831 /nfs/dbraw/zinc/72/18/31/1121721831.db2.gz CZNDDQGEEIWIKC-OAHLLOKOSA-N 0 1 259.349 3.919 20 0 CHADMN CC(C)(C)OCc1cccc(CNCc2ccoc2)c1 ZINC000727470891 1121722657 /nfs/dbraw/zinc/72/26/57/1121722657.db2.gz QTMSGJHVRMWUGS-UHFFFAOYSA-N 0 1 273.376 3.885 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2CCCc3sccc32)o1 ZINC000291881713 1121722844 /nfs/dbraw/zinc/72/28/44/1121722844.db2.gz JNQZESDEQJEXDG-GFCCVEGCSA-N 0 1 276.405 3.774 20 0 CHADMN COc1cccnc1CNC/C=C\c1c(C)cc(C)cc1C ZINC001206302061 1121727156 /nfs/dbraw/zinc/72/71/56/1121727156.db2.gz ZMMRCZKEXWEWNT-ALCCZGGFSA-N 0 1 296.414 3.818 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227830102 1121730853 /nfs/dbraw/zinc/73/08/53/1121730853.db2.gz PBAAYJAVAGCYOS-ABAIWWIYSA-N 0 1 281.783 3.588 20 0 CHADMN C[C@]1(c2ccc(F)cc2)CCN(Cc2nccn2C2CC2)C1 ZINC000894198103 1121732488 /nfs/dbraw/zinc/73/24/88/1121732488.db2.gz UQZHQXFPTWFENE-SFHVURJKSA-N 0 1 299.393 3.521 20 0 CHADMN CC(C)n1cc(CN[C@H]2CCc3c2cccc3Cl)cn1 ZINC001177645934 1121744113 /nfs/dbraw/zinc/74/41/13/1121744113.db2.gz BOQWXSFWHQBRQJ-INIZCTEOSA-N 0 1 289.810 3.895 20 0 CHADMN Clc1cscc1CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000877740978 1121747617 /nfs/dbraw/zinc/74/76/17/1121747617.db2.gz XNKOYZBNBFYMEF-ZJUUUORDSA-N 0 1 273.854 3.586 20 0 CHADMN COc1cc2ccccc2cc1CNCc1scnc1C ZINC001177769493 1121749279 /nfs/dbraw/zinc/74/92/79/1121749279.db2.gz KWYNTHKWJCIUOH-UHFFFAOYSA-N 0 1 298.411 3.903 20 0 CHADMN Clc1ccccc1CN[C@H]1CCCc2ncccc21 ZINC000631561431 1129007046 /nfs/dbraw/zinc/00/70/46/1129007046.db2.gz FAAVRGHKNNUOPF-INIZCTEOSA-N 0 1 272.779 3.902 20 0 CHADMN CC(C)[C@H]1C[C@@H](N[C@@H](C)c2ncc[nH]2)c2ccccc21 ZINC000287631685 1121770196 /nfs/dbraw/zinc/77/01/96/1121770196.db2.gz UEWTZSIRCCQMEZ-APHBMKBZSA-N 0 1 269.392 3.945 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCCc3ncccc32)o1 ZINC000631570364 1129008230 /nfs/dbraw/zinc/00/82/30/1129008230.db2.gz SFRHZXLRPCJLKE-PVUWLOKVSA-N 0 1 282.387 3.965 20 0 CHADMN O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCCCC1 ZINC000027269017 1121775837 /nfs/dbraw/zinc/77/58/37/1121775837.db2.gz RSLWHRAVWSGMQB-SFHVURJKSA-N 0 1 294.398 3.852 20 0 CHADMN Cc1[nH]nc(CNc2cccc3ccsc32)c1C ZINC001178276281 1121776891 /nfs/dbraw/zinc/77/68/91/1121776891.db2.gz JVHWEAJVKNUWGV-UHFFFAOYSA-N 0 1 257.362 3.853 20 0 CHADMN Clc1ccc(CNc2cnccc2-n2cccn2)s1 ZINC001178310725 1121780662 /nfs/dbraw/zinc/78/06/62/1121780662.db2.gz FCRIVCYPGPOHIC-UHFFFAOYSA-N 0 1 290.779 3.594 20 0 CHADMN COc1ccnc(NCc2ccccc2C(C)C)c1 ZINC001178383272 1121781944 /nfs/dbraw/zinc/78/19/44/1121781944.db2.gz ZNDOQIBXLXEWGT-UHFFFAOYSA-N 0 1 256.349 3.826 20 0 CHADMN COc1cc([C@H](C)N[C@H]2CCCCc3ccccc32)on1 ZINC000924897359 1121786815 /nfs/dbraw/zinc/78/68/15/1121786815.db2.gz VNEUBYTUKGQZAF-WFASDCNBSA-N 0 1 286.375 3.802 20 0 CHADMN Cc1cc(CN[C@H](C)c2csc3ccccc23)[nH]n1 ZINC000730020176 1121789769 /nfs/dbraw/zinc/78/97/69/1121789769.db2.gz ZQIPPEZYMOCQTH-LLVKDONJSA-N 0 1 271.389 3.784 20 0 CHADMN CC(C)=CCNCc1cccc(F)c1OCC(F)(F)F ZINC001178488325 1121790349 /nfs/dbraw/zinc/79/03/49/1121790349.db2.gz UUQNZKPYMHISEZ-UHFFFAOYSA-N 0 1 291.288 3.823 20 0 CHADMN CC(C)[C@@H](C(=O)Nc1ccc(-c2ccccc2)cc1)N(C)C ZINC000730088292 1121791539 /nfs/dbraw/zinc/79/15/39/1121791539.db2.gz BACRAHXHKBXYFX-SFHVURJKSA-N 0 1 296.414 3.878 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cccnc1Cl)CC2 ZINC000730108410 1121792207 /nfs/dbraw/zinc/79/22/07/1121792207.db2.gz ACMHAAWYJHKMNA-OAHLLOKOSA-N 0 1 272.779 3.821 20 0 CHADMN COc1cc2c(cc1CN[C@H](C)c1ccccc1)O[C@@H](C)C2 ZINC000070982144 1121806534 /nfs/dbraw/zinc/80/65/34/1121806534.db2.gz SPFWCAOYUMLVIG-UONOGXRCSA-N 0 1 297.398 3.869 20 0 CHADMN Fc1ccccc1[C@H]1CCN(Cc2ccnc(Cl)c2)C1 ZINC000730432799 1121810410 /nfs/dbraw/zinc/81/04/10/1121810410.db2.gz SHWWBEOHSQXKBT-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ncnc2c(F)cccc12 ZINC000433790591 1121810316 /nfs/dbraw/zinc/81/03/16/1121810316.db2.gz YSJWCURAJMTNGD-UHFFFAOYSA-N 0 1 293.305 3.697 20 0 CHADMN CCCOc1cccc(CNCc2ccoc2C)c1 ZINC000619766437 1129011292 /nfs/dbraw/zinc/01/12/92/1129011292.db2.gz FSDVIYJHVIQYOW-UHFFFAOYSA-N 0 1 259.349 3.667 20 0 CHADMN CC[C@@H]([NH2+]Cc1cccc([O-])c1Cl)[C@H]1CC1(C)C ZINC001178978176 1121831305 /nfs/dbraw/zinc/83/13/05/1121831305.db2.gz USAVGCYLEXZAHX-VXGBXAGGSA-N 0 1 267.800 3.960 20 0 CHADMN F[C@]1(c2ccccc2)C[C@@H]1NCc1cccc2cnccc21 ZINC001178998919 1121838223 /nfs/dbraw/zinc/83/82/23/1121838223.db2.gz UCXNSFBUTPZVCO-OALUTQOASA-N 0 1 292.357 3.962 20 0 CHADMN CCc1ncc(CN(Cc2ccco2)C2CCCC2)cn1 ZINC000414365991 1121842717 /nfs/dbraw/zinc/84/27/17/1121842717.db2.gz AFLBOCKCNRFYQT-UHFFFAOYSA-N 0 1 285.391 3.577 20 0 CHADMN Clc1ccc(CNCc2cccc3cc[nH]c32)nc1 ZINC000345125734 1121848731 /nfs/dbraw/zinc/84/87/31/1121848731.db2.gz GANJWRRFRDMNSW-UHFFFAOYSA-N 0 1 271.751 3.506 20 0 CHADMN CC[C@H](CC(=O)NCc1cnc(C(C)C)[nH]1)C(C)(C)C ZINC001179092649 1121850498 /nfs/dbraw/zinc/85/04/98/1121850498.db2.gz UOUHNKYCXUQXFG-GFCCVEGCSA-N 0 1 279.428 3.612 20 0 CHADMN Cc1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c(C)o1 ZINC000345181266 1121853785 /nfs/dbraw/zinc/85/37/85/1121853785.db2.gz ATCATQMIKNIBBT-UHFFFAOYSA-N 0 1 299.779 3.659 20 0 CHADMN C[C@@H](NC/C=C\c1cccc(F)c1)c1ccns1 ZINC001179299706 1121867345 /nfs/dbraw/zinc/86/73/45/1121867345.db2.gz WLZGOXGAAXCXNY-USEMIUTHSA-N 0 1 262.353 3.646 20 0 CHADMN Cc1c([C@H](C)N[C@@H](C)c2cncc(F)c2)cnn1C(C)C ZINC000345316150 1121867435 /nfs/dbraw/zinc/86/74/35/1121867435.db2.gz HPWJRPXRKNTARC-RYUDHWBXSA-N 0 1 290.386 3.718 20 0 CHADMN C[C@H]1C[C@@H](NCc2cccc3c2OCCO3)c2ccccc21 ZINC000731451160 1121868977 /nfs/dbraw/zinc/86/89/77/1121868977.db2.gz ZQSZOAPLZTWEHS-SUMWQHHRSA-N 0 1 295.382 3.796 20 0 CHADMN CC(C)(F)CNCc1cc(F)cc(C(F)(F)F)c1 ZINC001179316325 1121872260 /nfs/dbraw/zinc/87/22/60/1121872260.db2.gz TWRXWHSEHATGSJ-UHFFFAOYSA-N 0 1 267.241 3.682 20 0 CHADMN Cc1cc(CNc2ccc3c[nH]nc3c2)cnc1Cl ZINC001179442952 1121877466 /nfs/dbraw/zinc/87/74/66/1121877466.db2.gz IZZOWYJDSXFCFQ-UHFFFAOYSA-N 0 1 272.739 3.532 20 0 CHADMN CC[C@@H](N[C@H](C)c1snnc1C)c1ccc(OC)cc1 ZINC001119767929 1121880905 /nfs/dbraw/zinc/88/09/05/1121880905.db2.gz BVGFJYURKWOLSQ-QMTHXVAHSA-N 0 1 291.420 3.657 20 0 CHADMN CC(C)CCc1noc(-c2cc(-c3ccccc3)n[nH]2)n1 ZINC000345453158 1121884446 /nfs/dbraw/zinc/88/44/46/1121884446.db2.gz AWGWEHJOIUJHOG-UHFFFAOYSA-N 0 1 282.347 3.715 20 0 CHADMN Cc1cc(CNC(C)(C)c2cccc(Cl)c2)nc(C)n1 ZINC000660195688 1129015856 /nfs/dbraw/zinc/01/58/56/1129015856.db2.gz AAIZQYRKPDYTEN-UHFFFAOYSA-N 0 1 289.810 3.772 20 0 CHADMN [O-]c1ccc(C[NH2+]Cc2cccc3cnccc32)cc1Cl ZINC001179507078 1121886607 /nfs/dbraw/zinc/88/66/07/1121886607.db2.gz OFHRPLGJMRDMFY-UHFFFAOYSA-N 0 1 298.773 3.884 20 0 CHADMN [O-]c1ccc(C[NH2+]C/C=C/c2cccc(F)c2)cc1Cl ZINC001179507159 1121887035 /nfs/dbraw/zinc/88/70/35/1121887035.db2.gz QZHSQPRSEPHRFB-DUXPYHPUSA-N 0 1 291.753 3.988 20 0 CHADMN c1cc2c(c(CNCc3nc4c(s3)CCCC4)c1)CCC2 ZINC001179537661 1121888891 /nfs/dbraw/zinc/88/88/91/1121888891.db2.gz OTQVIFPTASTTFO-UHFFFAOYSA-N 0 1 298.455 3.800 20 0 CHADMN C[C@H]1C[C@H](N[C@H]2c3ccccc3OC[C@@H]2F)C[C@@H](C)C1 ZINC001179579480 1121890007 /nfs/dbraw/zinc/89/00/07/1121890007.db2.gz QPAIUDBYOJYCOV-KAHWEZKRSA-N 0 1 277.383 3.873 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1ccc2ncccc2c1 ZINC000731894692 1121892017 /nfs/dbraw/zinc/89/20/17/1121892017.db2.gz CASJXPVQLAGRDL-UHFFFAOYSA-N 0 1 299.418 3.685 20 0 CHADMN CCCC1(C(=O)Nc2ccc3nc(C)[nH]c3c2)CCC1 ZINC000345552991 1121893242 /nfs/dbraw/zinc/89/32/42/1121893242.db2.gz VXAYJGRBQJIEOA-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN COc1cc2c(cc1CNC(C)(C)/C=C/Cl)O[C@H](C)C2 ZINC001179627133 1121896986 /nfs/dbraw/zinc/89/69/86/1121896986.db2.gz UROCJJNRESBCOD-MVIFTORASA-N 0 1 295.810 3.639 20 0 CHADMN COc1c(Cl)cccc1CNCc1ccc(F)c(F)c1 ZINC001179685908 1121898855 /nfs/dbraw/zinc/89/88/55/1121898855.db2.gz SWVLKKVKODNGMY-UHFFFAOYSA-N 0 1 297.732 3.917 20 0 CHADMN c1cc(CNCc2ccc3occc3c2)n(CC2CCC2)n1 ZINC000631174679 1121899255 /nfs/dbraw/zinc/89/92/55/1121899255.db2.gz ZGPZEULMTUMNIZ-UHFFFAOYSA-N 0 1 295.386 3.719 20 0 CHADMN CN(C)Cc1cccc(CCc2ccccc2)c1F ZINC001249946159 1121904355 /nfs/dbraw/zinc/90/43/55/1121904355.db2.gz LIXZGGBBAJKAJQ-UHFFFAOYSA-N 0 1 257.352 3.673 20 0 CHADMN CC(C)=CCN1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000732210350 1121910748 /nfs/dbraw/zinc/91/07/48/1121910748.db2.gz RWXWWQCCOPVJST-VYDXJSESSA-N 0 1 259.393 3.803 20 0 CHADMN CS[C@@H]1CC[C@@H](NCc2csc(C(F)(F)F)n2)C1 ZINC001119949186 1121918375 /nfs/dbraw/zinc/91/83/75/1121918375.db2.gz UJTYAJBSDHLXCX-VXNVDRBHSA-N 0 1 296.383 3.536 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2ccc(F)cn2)c1 ZINC000345817695 1121918893 /nfs/dbraw/zinc/91/88/93/1121918893.db2.gz YYXLSBBXJGPDLX-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN CCN(Cc1cccc(Cl)c1)Cc1ccc(F)cn1 ZINC000345850797 1121921823 /nfs/dbraw/zinc/92/18/23/1121921823.db2.gz JRIOJIBVQFEDCH-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN COC(C)(C)CCN(Cc1ccc(F)cc1F)C1CC1 ZINC000345863678 1121923599 /nfs/dbraw/zinc/92/35/99/1121923599.db2.gz SGBHPEXNNROPFO-UHFFFAOYSA-N 0 1 283.362 3.744 20 0 CHADMN CC(C)[C@H]1CCCCN1Cc1cnc(Cl)s1 ZINC000079323723 1129022052 /nfs/dbraw/zinc/02/20/52/1129022052.db2.gz VXDXNXREWOBAOX-LLVKDONJSA-N 0 1 258.818 3.807 20 0 CHADMN Cc1ccc([C@H]2COCCN2C[C@@H]2C(C)=CCC[C@@H]2C)o1 ZINC001179956186 1121934138 /nfs/dbraw/zinc/93/41/38/1121934138.db2.gz CVVHRCGFYBUPOI-USXIJHARSA-N 0 1 289.419 3.954 20 0 CHADMN C[C@@H]1CCc2nc(CN3CCC(C)(C)CC3)sc2C1 ZINC001180048658 1121937683 /nfs/dbraw/zinc/93/76/83/1121937683.db2.gz XFFHHNBVDSCCHC-GFCCVEGCSA-N 0 1 278.465 3.890 20 0 CHADMN Cc1ccnc(C[N@@H+]2CCC[C@H](C)CC2)c1Br ZINC001180031400 1121939190 /nfs/dbraw/zinc/93/91/90/1121939190.db2.gz ZHZYFYJCFURUTI-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN Cc1ccnc(CN2CCC[C@H](C)CC2)c1Br ZINC001180031400 1121939197 /nfs/dbraw/zinc/93/91/97/1121939197.db2.gz ZHZYFYJCFURUTI-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN COc1cc(CN2C[C@@H](C)OC(C)(C)C2)cc2ccccc21 ZINC001180039486 1121942539 /nfs/dbraw/zinc/94/25/39/1121942539.db2.gz ZBLRJSRQQQCMBW-CQSZACIVSA-N 0 1 299.414 3.848 20 0 CHADMN CCN(CCC(F)(F)F)Cc1cc2ccccc2n1C ZINC001180064378 1121946244 /nfs/dbraw/zinc/94/62/44/1121946244.db2.gz GTOUYQBIBOHBSB-UHFFFAOYSA-N 0 1 284.325 3.953 20 0 CHADMN C[C@@H]1COC[C@H](c2ccccc2)N1[C@@H]1C=CCCC1 ZINC000501067425 1121949744 /nfs/dbraw/zinc/94/97/44/1121949744.db2.gz IVLGUXPWRLTKPL-DJIMGWMZSA-N 0 1 257.377 3.557 20 0 CHADMN COc1ccc(C)cc1CNCc1ccc(O)c(Cl)c1 ZINC000733322181 1121975797 /nfs/dbraw/zinc/97/57/97/1121975797.db2.gz BMFGPYRFACARQU-UHFFFAOYSA-N 0 1 291.778 3.652 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1ccc(Cl)cc1)C(F)(F)F ZINC000733323118 1121976531 /nfs/dbraw/zinc/97/65/31/1121976531.db2.gz FNFGDRGXTLBSBY-KWQFWETISA-N 0 1 281.705 3.568 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2cccc(O)c2)cc(C)n1 ZINC001180288833 1121976715 /nfs/dbraw/zinc/97/67/15/1121976715.db2.gz MKXJYWKAJWOCGF-AWEZNQCLSA-N 0 1 270.376 3.597 20 0 CHADMN c1nc2ccc(CNc3ccc(OCC4CC4)cc3)cc2[nH]1 ZINC000733327609 1121978019 /nfs/dbraw/zinc/97/80/19/1121978019.db2.gz IBSBITKFSWCIEY-UHFFFAOYSA-N 0 1 293.370 3.964 20 0 CHADMN C[C@]1(F)CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000501427234 1121978124 /nfs/dbraw/zinc/97/81/24/1121978124.db2.gz OZVSQKNVYOHUQR-GJZGRUSLSA-N 0 1 251.320 3.637 20 0 CHADMN C[C@]1(F)CCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC000501427234 1121978126 /nfs/dbraw/zinc/97/81/26/1121978126.db2.gz OZVSQKNVYOHUQR-GJZGRUSLSA-N 0 1 251.320 3.637 20 0 CHADMN Cc1occc1CN1CCC(CC(F)(F)F)CC1 ZINC000414436884 1121979381 /nfs/dbraw/zinc/97/93/81/1121979381.db2.gz CFCZLCXMWROSTG-UHFFFAOYSA-N 0 1 261.287 3.752 20 0 CHADMN C[C@@H]1Cc2cc(C[N@H+]3CCc4sccc4C3)ccc2O1 ZINC001180513444 1121993118 /nfs/dbraw/zinc/99/31/18/1121993118.db2.gz HQKNNEYLRACHGR-GFCCVEGCSA-N 0 1 285.412 3.630 20 0 CHADMN C[C@@H]1Cc2cc(CN3CCc4sccc4C3)ccc2O1 ZINC001180513444 1121993126 /nfs/dbraw/zinc/99/31/26/1121993126.db2.gz HQKNNEYLRACHGR-GFCCVEGCSA-N 0 1 285.412 3.630 20 0 CHADMN CCc1ncc(CN[C@@]2(c3cccc(C)c3)C[C@@H]2CC)cn1 ZINC000414451905 1122000346 /nfs/dbraw/zinc/00/03/46/1122000346.db2.gz OJYRLOZEODGAFS-LPHOPBHVSA-N 0 1 295.430 3.762 20 0 CHADMN Cc1noc(C)c1C[N@H+](C)[C@H](C)CCc1cccc(F)c1 ZINC000183118669 1129024164 /nfs/dbraw/zinc/02/41/64/1129024164.db2.gz YNRZYBVEXGWEOR-GFCCVEGCSA-N 0 1 290.382 3.884 20 0 CHADMN CC(C)[C@@H](NCc1cccc(F)c1F)c1cccnc1 ZINC000631725466 1129024569 /nfs/dbraw/zinc/02/45/69/1129024569.db2.gz HCNGHBPEXUXLBM-MRXNPFEDSA-N 0 1 276.330 3.847 20 0 CHADMN CCCn1cc(CN2C[C@H](C)C[C@H]2c2cccnc2)c(C)n1 ZINC001180666122 1122007101 /nfs/dbraw/zinc/00/71/01/1122007101.db2.gz QXKIHYXQHYJXKT-KDOFPFPSSA-N 0 1 298.434 3.580 20 0 CHADMN C[C@H](NCC(F)(F)C(C)(C)C)C1CC(F)(F)C1 ZINC000628352430 1122007880 /nfs/dbraw/zinc/00/78/80/1122007880.db2.gz ISCBAEPOARYHQU-QMMMGPOBSA-N 0 1 255.299 3.691 20 0 CHADMN CN(Cc1csc(C(F)(F)F)c1)CC1=CCSC1 ZINC000628352312 1122008229 /nfs/dbraw/zinc/00/82/29/1122008229.db2.gz DNWFLBBZDPFTIT-UHFFFAOYSA-N 0 1 293.379 3.872 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C[C@H]1C ZINC000501777326 1122008419 /nfs/dbraw/zinc/00/84/19/1122008419.db2.gz QAGDTKBQTSHYQI-CHWSQXEVSA-N 0 1 288.366 3.959 20 0 CHADMN C[C@@H]1CCN(Cc2ncc(-c3ccccc3F)o2)C[C@H]1C ZINC000501777326 1122008425 /nfs/dbraw/zinc/00/84/25/1122008425.db2.gz QAGDTKBQTSHYQI-CHWSQXEVSA-N 0 1 288.366 3.959 20 0 CHADMN C[C@H]1CCN(Cc2csc(-c3ccco3)n2)C[C@H]1C ZINC000501820370 1122012015 /nfs/dbraw/zinc/01/20/15/1122012015.db2.gz UYHWPMZEPDXLCM-NWDGAFQWSA-N 0 1 276.405 3.881 20 0 CHADMN C[C@H]1CN(Cc2csc(-c3ccco3)n2)CC[C@@H]1C ZINC000501820372 1122012465 /nfs/dbraw/zinc/01/24/65/1122012465.db2.gz UYHWPMZEPDXLCM-RYUDHWBXSA-N 0 1 276.405 3.881 20 0 CHADMN Fc1ccc(CN2CC[C@]3(C2)CCCCO3)cc1Cl ZINC001204280337 1122013970 /nfs/dbraw/zinc/01/39/70/1122013970.db2.gz LDOHSVPGXWHFNO-HNNXBMFYSA-N 0 1 283.774 3.624 20 0 CHADMN CCCC[C@H](C(=O)Nc1c2nn[nH]c2ccc1C)C(C)C ZINC001180765591 1122014703 /nfs/dbraw/zinc/01/47/03/1122014703.db2.gz VROCVQPOUPQQPX-LBPRGKRZSA-N 0 1 288.395 3.667 20 0 CHADMN CN(C)Cc1cccc(Cc2c(F)cccc2F)c1F ZINC001249988389 1122020154 /nfs/dbraw/zinc/02/01/54/1122020154.db2.gz UGRNGNRKOSEYMQ-UHFFFAOYSA-N 0 1 279.305 3.756 20 0 CHADMN Cc1occc1CN[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000414463367 1122026678 /nfs/dbraw/zinc/02/66/78/1122026678.db2.gz RKOVWPDFCMHLHZ-SFHVURJKSA-N 0 1 299.414 3.972 20 0 CHADMN Cc1ccnc(CN2CCCCC[C@@H]2C)c1Br ZINC001181009102 1122028414 /nfs/dbraw/zinc/02/84/14/1122028414.db2.gz ZDGRIIPFUPFYBG-LBPRGKRZSA-N 0 1 297.240 3.917 20 0 CHADMN C[C@@H](CC1CCC1)N[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000631738578 1129026226 /nfs/dbraw/zinc/02/62/26/1129026226.db2.gz PSCWTQPEUMKRCM-XJKSGUPXSA-N 0 1 269.392 3.667 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccccc21)c1nc2c(s1)CCC2 ZINC000502018300 1122031448 /nfs/dbraw/zinc/03/14/48/1122031448.db2.gz OXOGUGRMZZBSEM-SMDDNHRTSA-N 0 1 284.428 3.970 20 0 CHADMN Cc1ncc(CN2CCC[C@H](CC(F)(F)F)C2)s1 ZINC000420940080 1122045907 /nfs/dbraw/zinc/04/59/07/1122045907.db2.gz CUVPOLUYLLYSPG-SNVBAGLBSA-N 0 1 278.343 3.616 20 0 CHADMN Cc1cncc(CN2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000420944723 1122047067 /nfs/dbraw/zinc/04/70/67/1122047067.db2.gz JVOFPDQMHXCGQG-GFCCVEGCSA-N 0 1 272.314 3.554 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(C(F)F)nc1 ZINC000631753238 1129027524 /nfs/dbraw/zinc/02/75/24/1129027524.db2.gz HWDKTZSLGIBKMN-SKWCMTHISA-N 0 1 280.240 3.621 20 0 CHADMN CCCc1ccc(CN2C[C@@H](C)O[C@H](C3CC3)C2)s1 ZINC001181374522 1122051058 /nfs/dbraw/zinc/05/10/58/1122051058.db2.gz ZDDKUFGRFLUZHV-WBMJQRKESA-N 0 1 279.449 3.700 20 0 CHADMN CCc1ccc(CN2CCC[C@@H](CC(F)(F)F)C2)nc1 ZINC000420957084 1122051482 /nfs/dbraw/zinc/05/14/82/1122051482.db2.gz ZCNKJPMFULSTIQ-ZDUSSCGKSA-N 0 1 286.341 3.808 20 0 CHADMN CC(C)N(CC(=O)N1CCCCC1)[C@@H](C)c1ccsc1 ZINC000421010356 1122054728 /nfs/dbraw/zinc/05/47/28/1122054728.db2.gz OARYVNXFQNFWGY-AWEZNQCLSA-N 0 1 294.464 3.532 20 0 CHADMN CCN(CCOc1ccccc1C)[C@@H](C)c1cnc(C)cn1 ZINC000420978503 1122054982 /nfs/dbraw/zinc/05/49/82/1122054982.db2.gz XICDIXYSSOPGAJ-INIZCTEOSA-N 0 1 299.418 3.555 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cnc(F)c(C)c2)c1 ZINC001181445966 1122055738 /nfs/dbraw/zinc/05/57/38/1122055738.db2.gz UZHGRBBVDPPTSY-UHFFFAOYSA-N 0 1 272.367 3.778 20 0 CHADMN CCOc1cncc(CN(C)Cc2cc(C)cc(C)c2)c1 ZINC001181445034 1122055986 /nfs/dbraw/zinc/05/59/86/1122055986.db2.gz JGCYTHKJVKPIBX-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN CC(C)[C@H](C)C(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001181494240 1122058633 /nfs/dbraw/zinc/05/86/33/1122058633.db2.gz QRLISEDMBRESHS-ZETCQYMHSA-N 0 1 276.163 3.930 20 0 CHADMN CCn1ccc(CNC/C(C)=C\c2ccc(Cl)cc2)n1 ZINC000414489752 1122060468 /nfs/dbraw/zinc/06/04/68/1122060468.db2.gz YZTFGJSEVPKVQE-RAXLEYEMSA-N 0 1 289.810 3.750 20 0 CHADMN C[C@H]1CN(Cc2ccc(-c3ccccc3)cc2)[C@@H](C)CO1 ZINC000502242510 1122062512 /nfs/dbraw/zinc/06/25/12/1122062512.db2.gz LPYSPHQJGVSXKA-HOTGVXAUSA-N 0 1 281.399 3.963 20 0 CHADMN CC[C@H](NCc1occc1C)c1ccc2c(c1)CCO2 ZINC000293621917 1129029994 /nfs/dbraw/zinc/02/99/94/1129029994.db2.gz JSLSQWCNWIOXGB-HNNXBMFYSA-N 0 1 271.360 3.764 20 0 CHADMN CC[C@@H](CNCc1nn(C)c(C)c1Cl)c1ccccc1 ZINC000421324463 1122092273 /nfs/dbraw/zinc/09/22/73/1122092273.db2.gz HYOUZUKZVRFNGM-ZDUSSCGKSA-N 0 1 291.826 3.665 20 0 CHADMN CCN1CCCC[C@H]1C(=O)Nc1cccc2c(C)c(C)[nH]c21 ZINC001181996880 1122102067 /nfs/dbraw/zinc/10/20/67/1122102067.db2.gz OIEZGEJJAVWJGM-INIZCTEOSA-N 0 1 299.418 3.598 20 0 CHADMN CCn1cc(CN(C(C)C)[C@@H](C)c2ccsc2)cn1 ZINC000421365495 1122102734 /nfs/dbraw/zinc/10/27/34/1122102734.db2.gz ASNLZVFDRTXYSE-ZDUSSCGKSA-N 0 1 277.437 3.936 20 0 CHADMN FCCNCc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421374650 1122103664 /nfs/dbraw/zinc/10/36/64/1122103664.db2.gz CTYAKFKFSICDGM-UHFFFAOYSA-N 0 1 287.382 3.724 20 0 CHADMN Cc1ccoc1CN(C)C/C=C\c1cccc(F)c1 ZINC001182043610 1122106615 /nfs/dbraw/zinc/10/66/15/1122106615.db2.gz MTXTVRBIGBDXHA-XQRVVYSFSA-N 0 1 259.324 3.872 20 0 CHADMN Cc1nn(-c2ccccc2Cl)cc1CN1C[C@H](C)[C@@H]1C ZINC001182061087 1122107491 /nfs/dbraw/zinc/10/74/91/1122107491.db2.gz CIYYTWHNLDJTQC-AAEUAGOBSA-N 0 1 289.810 3.674 20 0 CHADMN FC(F)(F)C[C@@H]1CCCN(C/C=C/c2ccncc2)C1 ZINC000421385518 1122107920 /nfs/dbraw/zinc/10/79/20/1122107920.db2.gz GQILVEUKWBCZOG-YOUVMVQBSA-N 0 1 284.325 3.759 20 0 CHADMN Cc1cc([C@@H](C)NCCCOc2c(C)cccc2C)no1 ZINC000502576772 1122114396 /nfs/dbraw/zinc/11/43/96/1122114396.db2.gz XSLRFQPRPMOKFM-OAHLLOKOSA-N 0 1 288.391 3.720 20 0 CHADMN CCn1cnc(Cl)c1C[N@@H+](C)C1CCC(F)(F)CC1 ZINC001182138618 1122115121 /nfs/dbraw/zinc/11/51/21/1122115121.db2.gz JCUMGHYDGDTEOT-UHFFFAOYSA-N 0 1 291.773 3.566 20 0 CHADMN CCn1cnc(Cl)c1CN(C)C1CCC(F)(F)CC1 ZINC001182138618 1122115125 /nfs/dbraw/zinc/11/51/25/1122115125.db2.gz JCUMGHYDGDTEOT-UHFFFAOYSA-N 0 1 291.773 3.566 20 0 CHADMN Cc1cc(C)c(/C=C\CN2CCC[C@@H]3COC[C@@H]32)cc1C ZINC001182271566 1122126555 /nfs/dbraw/zinc/12/65/55/1122126555.db2.gz IIQRYXXBLFVRIM-FHLMBLHRSA-N 0 1 285.431 3.736 20 0 CHADMN CC(C)c1cnc(CN2CC(C)(C)C[C@H]2C)s1 ZINC000414524265 1122127193 /nfs/dbraw/zinc/12/71/93/1122127193.db2.gz KCZMCBJJKBNIHZ-LLVKDONJSA-N 0 1 252.427 3.887 20 0 CHADMN CCC[C@@H](C(=O)OCC)N1CCC[C@H]1c1cccs1 ZINC000502721273 1122141911 /nfs/dbraw/zinc/14/19/11/1122141911.db2.gz IEFAYYUORALHCA-STQMWFEESA-N 0 1 281.421 3.617 20 0 CHADMN CC(C)[C@@H]1N(Cc2cc(F)cc(F)c2)CC12CCOCC2 ZINC000414538396 1122147083 /nfs/dbraw/zinc/14/70/83/1122147083.db2.gz MDWPPRBOMMUHPV-INIZCTEOSA-N 0 1 295.373 3.602 20 0 CHADMN Cc1ccoc1CN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000414547019 1122149009 /nfs/dbraw/zinc/14/90/09/1122149009.db2.gz GTEVRAFXLZCFRH-GOSISDBHSA-N 0 1 297.398 3.942 20 0 CHADMN CC[C@@H](CNCc1nnc(C2CC2)s1)c1ccccc1 ZINC000414551206 1122151180 /nfs/dbraw/zinc/15/11/80/1122151180.db2.gz DXHFCAQEWKCKFW-LBPRGKRZSA-N 0 1 287.432 3.699 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN1CCC(C(C)C)CC1 ZINC000072717920 1122154163 /nfs/dbraw/zinc/15/41/63/1122154163.db2.gz VVYZIMPYGYGOKZ-UHFFFAOYSA-N 0 1 288.435 3.610 20 0 CHADMN CCCc1ccc(CNCc2c(C)noc2C)cc1 ZINC000620120031 1129035274 /nfs/dbraw/zinc/03/52/74/1129035274.db2.gz XLEMHZHGCCGIOD-UHFFFAOYSA-N 0 1 258.365 3.534 20 0 CHADMN c1coc([C@@H]2C[C@H]2NCc2conc2Cc2ccccc2)c1 ZINC000414564184 1122164886 /nfs/dbraw/zinc/16/48/86/1122164886.db2.gz CMUFJHXWDVJPCA-NVXWUHKLSA-N 0 1 294.354 3.504 20 0 CHADMN O=C(Nc1ccccc1-c1nnc[nH]1)C1CCCCCCC1 ZINC000271720146 1122172979 /nfs/dbraw/zinc/17/29/79/1122172979.db2.gz XPYWUONFPOXHLG-UHFFFAOYSA-N 0 1 298.390 3.771 20 0 CHADMN COC1(C)CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000271786151 1122175161 /nfs/dbraw/zinc/17/51/61/1122175161.db2.gz TWKXYZIAOAGOJH-LLVKDONJSA-N 0 1 269.335 3.527 20 0 CHADMN CCc1noc(C)c1CNC(C)(C)c1cccc(F)c1 ZINC000271787536 1122175716 /nfs/dbraw/zinc/17/57/16/1122175716.db2.gz MRENOBIXHVHWLT-UHFFFAOYSA-N 0 1 276.355 3.709 20 0 CHADMN Cc1ccc(C[N@@H+]2CC[C@H](C(C)C)C2)c(Cl)n1 ZINC000688554859 1129036349 /nfs/dbraw/zinc/03/63/49/1129036349.db2.gz DKDFVJXADUGUPU-LBPRGKRZSA-N 0 1 252.789 3.521 20 0 CHADMN CC[C@@H](NCc1ccc(OC)cn1)c1ccc(Cl)cc1 ZINC000272016990 1122186683 /nfs/dbraw/zinc/18/66/83/1122186683.db2.gz KPSLGLFYSOFEEW-MRXNPFEDSA-N 0 1 290.794 3.985 20 0 CHADMN C[C@H](COCC1CC1)NCc1c(Cl)oc2ccccc21 ZINC001182743127 1122186832 /nfs/dbraw/zinc/18/68/32/1122186832.db2.gz MJRHSOPUURIRMV-LLVKDONJSA-N 0 1 293.794 3.991 20 0 CHADMN C[C@@H](N[C@H]1CCCOc2cc(F)ccc21)c1cncs1 ZINC000272012733 1122187022 /nfs/dbraw/zinc/18/70/22/1122187022.db2.gz MFCBFSLZACSSBR-MFKMUULPSA-N 0 1 292.379 3.847 20 0 CHADMN CC(C)Oc1ccc([C@H](C)NCc2ccns2)cc1 ZINC000404453646 1122195029 /nfs/dbraw/zinc/19/50/29/1122195029.db2.gz TTZLWFVIVHCJAG-LBPRGKRZSA-N 0 1 276.405 3.781 20 0 CHADMN C[C@@H](NCc1ccns1)c1cccc(OC(F)F)c1 ZINC000404464624 1122196053 /nfs/dbraw/zinc/19/60/53/1122196053.db2.gz RMQOSOVUPQAELB-SECBINFHSA-N 0 1 284.331 3.595 20 0 CHADMN CC[C@H](CN1C[C@H](C)O[C@@](C)(C(F)F)C1)c1ccccc1 ZINC001182970692 1122198821 /nfs/dbraw/zinc/19/88/21/1122198821.db2.gz PNTVEODQSFKRET-JJRVBVJISA-N 0 1 297.389 3.925 20 0 CHADMN COCC[C@@H](NCc1cccc2cccnc21)c1ccco1 ZINC000272418647 1122200611 /nfs/dbraw/zinc/20/06/11/1122200611.db2.gz DAIABXVICCCDDU-MRXNPFEDSA-N 0 1 296.370 3.695 20 0 CHADMN COCC[C@@H](N[C@H]1CCc2c1cccc2F)c1ccco1 ZINC000272418260 1122201080 /nfs/dbraw/zinc/20/10/80/1122201080.db2.gz HNOBWWDNWFNBNG-JKSUJKDBSA-N 0 1 289.350 3.773 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C[C@H](C)CC(C)C ZINC000272410580 1122201284 /nfs/dbraw/zinc/20/12/84/1122201284.db2.gz FKWILVOMNNOHEK-MRVPVSSYSA-N 0 1 273.327 3.667 20 0 CHADMN COCC[C@H](N[C@@H](C)c1ccc(F)cc1)c1ccco1 ZINC000272408580 1122201480 /nfs/dbraw/zinc/20/14/80/1122201480.db2.gz GFKRXOJBTNEFMD-WFASDCNBSA-N 0 1 277.339 3.847 20 0 CHADMN COCC[C@H](N[C@H](C)c1cccc(F)c1)c1ccco1 ZINC000272427056 1122202617 /nfs/dbraw/zinc/20/26/17/1122202617.db2.gz IXZOKLMHCMUHMS-DOMZBBRYSA-N 0 1 277.339 3.847 20 0 CHADMN CC[C@H](N[C@H](CCO)c1ccccc1)c1ccccc1F ZINC000272519132 1122204720 /nfs/dbraw/zinc/20/47/20/1122204720.db2.gz XZZDUOIVKHFDFU-ZWKOTPCHSA-N 0 1 287.378 3.990 20 0 CHADMN Cc1ccoc1CN[C@H]1CCCc2nc(C)sc21 ZINC000272517640 1122205049 /nfs/dbraw/zinc/20/50/49/1122205049.db2.gz IOIHIHDPHVGYGN-NSHDSACASA-N 0 1 262.378 3.520 20 0 CHADMN COCC[C@@H](N[C@H]1CCc2cc(F)ccc21)c1ccco1 ZINC000272617321 1122207874 /nfs/dbraw/zinc/20/78/74/1122207874.db2.gz XLOTUWQPXYOIME-JKSUJKDBSA-N 0 1 289.350 3.773 20 0 CHADMN C[C@@H]1C[C@@H]1N[C@H](c1cc2ccccc2o1)c1ccccn1 ZINC000924952572 1122253883 /nfs/dbraw/zinc/25/38/83/1122253883.db2.gz XGRWRHCFPRMUJH-MRAWALMUSA-N 0 1 278.355 3.915 20 0 CHADMN CC[C@@H]1CCC[C@@H](CN2CCn3nc(C4CC4)cc3C2)C1 ZINC001184105652 1122255081 /nfs/dbraw/zinc/25/50/81/1122255081.db2.gz BACKAVMQZKYIMC-HUUCEWRRSA-N 0 1 287.451 3.793 20 0 CHADMN CC(C)(C)c1coc(CN[C@H]2CC[C@@H]3CCC[C@@H]32)n1 ZINC001184253720 1122265464 /nfs/dbraw/zinc/26/54/64/1122265464.db2.gz XSYMMZFHBQZTBJ-AVGNSLFASA-N 0 1 262.397 3.640 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2ccc(C(F)(F)F)cc2)CCO1 ZINC000503576896 1122268551 /nfs/dbraw/zinc/26/85/51/1122268551.db2.gz IICPQQBAIBLVRX-SMDDNHRTSA-N 0 1 287.325 3.877 20 0 CHADMN CC[C@H](CC(F)(F)F)Nc1ccnc(C)c1Cl ZINC000503575219 1122268738 /nfs/dbraw/zinc/26/87/38/1122268738.db2.gz ASEAMXBXLVLKGG-MRVPVSSYSA-N 0 1 266.694 3.608 20 0 CHADMN CCCC[C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000503631441 1122271035 /nfs/dbraw/zinc/27/10/35/1122271035.db2.gz HFMZVABWHWCPIV-LBPRGKRZSA-N 0 1 286.379 3.545 20 0 CHADMN Cc1nccc(N2CC3(CCCC3)OC(C)(C)C2)c1Cl ZINC000503601335 1122271088 /nfs/dbraw/zinc/27/10/88/1122271088.db2.gz DSGLNTKFJMCCSP-UHFFFAOYSA-N 0 1 294.826 3.971 20 0 CHADMN Cc1nccc(N2CCO[C@H](C3CCCCC3)C2)c1Cl ZINC000503602024 1122271651 /nfs/dbraw/zinc/27/16/51/1122271651.db2.gz JTUZYPSPDUHYDL-HNNXBMFYSA-N 0 1 294.826 3.829 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3CCC[C@@H](C)C3)cc(F)c12 ZINC001184507043 1122281583 /nfs/dbraw/zinc/28/15/83/1122281583.db2.gz CTEGIGLNFGQUPH-MWLCHTKSSA-N 0 1 289.354 3.775 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1ccccc1OC ZINC000503975774 1122282053 /nfs/dbraw/zinc/28/20/53/1122282053.db2.gz GKJDZRJVROEYQX-UHFFFAOYSA-N 0 1 273.351 3.856 20 0 CHADMN C[C@@]1(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)C[C@H]1F ZINC000424629869 1122321374 /nfs/dbraw/zinc/32/13/74/1122321374.db2.gz OZDJBYPAKILILG-CZUORRHYSA-N 0 1 287.338 3.517 20 0 CHADMN CCCN(C)Cc1nc2ccc(Br)cc2s1 ZINC000774838391 1122324728 /nfs/dbraw/zinc/32/47/28/1122324728.db2.gz UNGSQXRQMPLUNJ-UHFFFAOYSA-N 0 1 299.237 3.901 20 0 CHADMN Cc1ccc(CN(C)CCc2cccs2)c(Cl)n1 ZINC000688578560 1129047172 /nfs/dbraw/zinc/04/71/72/1129047172.db2.gz IXIDABZCZUYRHJ-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN Cc1ccc(F)c(NC(=O)Nc2c(O)cc(F)cc2F)c1 ZINC001185255872 1122329029 /nfs/dbraw/zinc/32/90/29/1122329029.db2.gz TUQZZYPFSSYCFR-UHFFFAOYSA-N 0 1 296.248 3.762 20 0 CHADMN CCC[C@H](C(=O)NOC1CCCC1)c1ccccc1 ZINC000774875457 1122339805 /nfs/dbraw/zinc/33/98/05/1122339805.db2.gz SAYCBSXGLBGEKC-HNNXBMFYSA-N 0 1 261.365 3.561 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@@H]1CCC[C@H](F)C1 ZINC000424777455 1122344947 /nfs/dbraw/zinc/34/49/47/1122344947.db2.gz JYJTWZBVUISJEC-SFYZADRCSA-N 0 1 289.709 3.652 20 0 CHADMN Fc1ccc([C@H]2CCCN2C[C@H]2CCC=CO2)cc1F ZINC000774887325 1122345909 /nfs/dbraw/zinc/34/59/09/1122345909.db2.gz KWECTBWTFDDCDI-CZUORRHYSA-N 0 1 279.330 3.794 20 0 CHADMN CC[C@@H](C)CCC(=O)Nc1nc2cccc(C)c2[nH]1 ZINC001185558979 1122347331 /nfs/dbraw/zinc/34/73/31/1122347331.db2.gz ULXKUPBADVIUKV-SNVBAGLBSA-N 0 1 259.353 3.636 20 0 CHADMN FC(F)(F)c1cnccc1NCCCc1cccs1 ZINC001185811618 1122362935 /nfs/dbraw/zinc/36/29/35/1122362935.db2.gz ZGMVARMATIBXIQ-UHFFFAOYSA-N 0 1 286.322 3.629 20 0 CHADMN CCCN(Cc1ncnn1C(C)(C)C)CC1CCCCC1 ZINC000513880379 1122366119 /nfs/dbraw/zinc/36/61/19/1122366119.db2.gz WGSYGNQPHKHGDR-UHFFFAOYSA-N 0 1 292.471 3.825 20 0 CHADMN CO[C@H]1CCCN(CCc2cccc(Cl)c2Cl)C1 ZINC000434478914 1122371481 /nfs/dbraw/zinc/37/14/81/1122371481.db2.gz IDZACXCAIFJQRN-LBPRGKRZSA-N 0 1 288.218 3.647 20 0 CHADMN CCC1CCC(N(C)Cc2nc(CC(C)C)no2)CC1 ZINC000514103593 1122376470 /nfs/dbraw/zinc/37/64/70/1122376470.db2.gz CSIIFDFEMCSZFZ-UHFFFAOYSA-N 0 1 279.428 3.669 20 0 CHADMN CC1(C)CCC[C@@H](Nc2ccncc2C(F)(F)F)C1 ZINC001186144719 1122376768 /nfs/dbraw/zinc/37/67/68/1122376768.db2.gz QZGKWLRCROAACF-SNVBAGLBSA-N 0 1 272.314 3.903 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)NC/C=C/Cl ZINC000774980816 1122378451 /nfs/dbraw/zinc/37/84/51/1122378451.db2.gz KKGCGZZUVDKBHR-UVMWJGKXSA-N 0 1 253.773 3.877 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cc(C)ccn2)cc1F ZINC000514098287 1122379258 /nfs/dbraw/zinc/37/92/58/1122379258.db2.gz FSXHCIDZNFFFBU-STQMWFEESA-N 0 1 288.366 3.950 20 0 CHADMN C=Cn1cc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)cn1 ZINC000775005772 1122384003 /nfs/dbraw/zinc/38/40/03/1122384003.db2.gz VIKZBWVDHFXMEU-MRXNPFEDSA-N 0 1 295.386 3.520 20 0 CHADMN CCC[C@H](Nc1nc(Cl)nc2[nH]cnc21)C(C)(C)C ZINC001186478750 1122393376 /nfs/dbraw/zinc/39/33/76/1122393376.db2.gz DYJXWNVSMFYOPH-QMMMGPOBSA-N 0 1 281.791 3.633 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)N[C@@H]3C[C@H](C)[C@@H]3C)n2)cc1 ZINC000430087879 1122397911 /nfs/dbraw/zinc/39/79/11/1122397911.db2.gz VIINELTVISDFPN-WFGGJUAMSA-N 0 1 299.418 3.994 20 0 CHADMN CC(C)[C@H]1N(Cc2nc3ccccc3n2C)CC12CCC2 ZINC000430088550 1122398017 /nfs/dbraw/zinc/39/80/17/1122398017.db2.gz KIWCNDNMBKBNAN-QGZVFWFLSA-N 0 1 283.419 3.584 20 0 CHADMN CCOc1ccc2nc(SCCCCF)[nH]c2c1 ZINC000505487243 1122398365 /nfs/dbraw/zinc/39/83/65/1122398365.db2.gz NSIKXPYOQAGSND-UHFFFAOYSA-N 0 1 268.357 3.803 20 0 CHADMN Cc1cccc(CN(C)Cc2cnn(C(C)C)c2)c1C ZINC000430104015 1122401305 /nfs/dbraw/zinc/40/13/05/1122401305.db2.gz TUWWDWMBAHHYQY-UHFFFAOYSA-N 0 1 271.408 3.713 20 0 CHADMN CC1(C)CN(Cc2cccc3c[nH]nc32)[C@H]1c1cccnc1 ZINC000430095061 1122403015 /nfs/dbraw/zinc/40/30/15/1122403015.db2.gz AFVXAZQUWPVHPU-KRWDZBQOSA-N 0 1 292.386 3.541 20 0 CHADMN CCOC1(C)CCN(C/C=C\c2ccc(F)cc2F)CC1 ZINC000430101364 1122404321 /nfs/dbraw/zinc/40/43/21/1122404321.db2.gz WSFDWGWNLAIRTE-PLNGDYQASA-N 0 1 295.373 3.869 20 0 CHADMN C[C@]12CCN(C/C=C/c3ccc(F)cc3F)C[C@H]1C2(F)F ZINC000430102146 1122404643 /nfs/dbraw/zinc/40/46/43/1122404643.db2.gz XPNMCJLZMQNLDZ-ZHAXYTGKSA-N 0 1 299.311 3.955 20 0 CHADMN CCOC1(C)CCN(Cc2ccsc2Cl)CC1 ZINC000430106594 1122405132 /nfs/dbraw/zinc/40/51/32/1122405132.db2.gz RPKSFZPKTNCLJL-UHFFFAOYSA-N 0 1 273.829 3.793 20 0 CHADMN CCOC1CC(Sc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000430119043 1122405455 /nfs/dbraw/zinc/40/54/55/1122405455.db2.gz FAZUFDPIRKCHBL-UHFFFAOYSA-N 0 1 282.796 3.876 20 0 CHADMN Cc1nc(CN2CC[C@@](C)(c3ccc(C)cc3)C2)cs1 ZINC000434744684 1122408743 /nfs/dbraw/zinc/40/87/43/1122408743.db2.gz IOHKJWHPQQZOQH-QGZVFWFLSA-N 0 1 286.444 3.924 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@@H](C)c1cnn(C)c1 ZINC000282196663 1122422895 /nfs/dbraw/zinc/42/28/95/1122422895.db2.gz GPDRIGLGMAWHGO-RYUDHWBXSA-N 0 1 275.421 3.554 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN2CC[C@H]2c2ccccc2)o1 ZINC000434990108 1122426557 /nfs/dbraw/zinc/42/65/57/1122426557.db2.gz FNUXOFVTWMGQCV-INIZCTEOSA-N 0 1 293.370 3.925 20 0 CHADMN Cc1ccc([C@@H](C)N(C)[C@H](c2nccn2C)C2CC2)cc1 ZINC000637901960 1129235497 /nfs/dbraw/zinc/23/54/97/1129235497.db2.gz ONGLHYXGEUYTQA-PBHICJAKSA-N 0 1 283.419 3.873 20 0 CHADMN Cc1ccc([C@@]2(C)CC[N@@H+](Cc3nc(C)ccc3O)C2)cc1 ZINC000435040248 1122428763 /nfs/dbraw/zinc/42/87/63/1122428763.db2.gz DUDCJQIAXDPXEK-IBGZPJMESA-N 0 1 296.414 3.568 20 0 CHADMN CC(C)c1cnc(CN2CCSC(C)(C)CC2)s1 ZINC000435053110 1122431129 /nfs/dbraw/zinc/43/11/29/1122431129.db2.gz ZWQKSRSRJWYHOT-UHFFFAOYSA-N 0 1 284.494 3.984 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2cccc3c2OCCCO3)cc1 ZINC000505595704 1122432154 /nfs/dbraw/zinc/43/21/54/1122432154.db2.gz FJTZJMFZBDZVEO-UHFFFAOYSA-N 0 1 297.398 3.788 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc3c2OCCCO3)cc1 ZINC000505595704 1122432157 /nfs/dbraw/zinc/43/21/57/1122432157.db2.gz FJTZJMFZBDZVEO-UHFFFAOYSA-N 0 1 297.398 3.788 20 0 CHADMN CCc1ccc(CN(C)Cc2c[nH]nc2C(C)(C)C)cc1 ZINC000505604189 1122433345 /nfs/dbraw/zinc/43/33/45/1122433345.db2.gz DMQNQVWGVUOTJU-UHFFFAOYSA-N 0 1 285.435 3.902 20 0 CHADMN COc1ccsc1CN(C)Cc1ccc(C)cc1 ZINC000505609228 1122434465 /nfs/dbraw/zinc/43/44/65/1122434465.db2.gz MBLDTMNCUKCJGC-UHFFFAOYSA-N 0 1 261.390 3.697 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1Cc1cc2ccccc2s1 ZINC000505608017 1122434859 /nfs/dbraw/zinc/43/48/59/1122434859.db2.gz GVYMJCXSDCLMNX-TZMCWYRMSA-N 0 1 275.417 3.901 20 0 CHADMN CCc1ccc(CN(C)Cc2c(C)nn(CC)c2C)cc1 ZINC000505601770 1122435087 /nfs/dbraw/zinc/43/50/87/1122435087.db2.gz IUNOXFSGPCGTAD-UHFFFAOYSA-N 0 1 285.435 3.714 20 0 CHADMN CCCN(Cc1nc2ccccc2n1C)Cc1ccccc1 ZINC000505617019 1122439450 /nfs/dbraw/zinc/43/94/50/1122439450.db2.gz YEORXNPANXYMCV-UHFFFAOYSA-N 0 1 293.414 3.986 20 0 CHADMN CCN(Cc1ccccc1)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000514710642 1122442591 /nfs/dbraw/zinc/44/25/91/1122442591.db2.gz FIEOBYYVDZYZMN-MRXNPFEDSA-N 0 1 296.414 3.844 20 0 CHADMN Cc1c[nH]cc1C(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001187800831 1122443055 /nfs/dbraw/zinc/44/30/55/1122443055.db2.gz PBSWSCYKCSTKQQ-UHFFFAOYSA-N 0 1 285.130 3.588 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1Cc1cccc(-c2ccccn2)c1 ZINC000505628618 1122443918 /nfs/dbraw/zinc/44/39/18/1122443918.db2.gz AKPJJFHDAGXDEF-MAUKXSAKSA-N 0 1 296.414 3.748 20 0 CHADMN CC(C)C[C@@H](NC(=O)c1n[nH]cc1Cl)c1ccccc1 ZINC001187845508 1122444026 /nfs/dbraw/zinc/44/40/26/1122444026.db2.gz HVMWZPMVYOUBCR-CYBMUJFWSA-N 0 1 291.782 3.580 20 0 CHADMN O=C(NCCCCC1CCCCC1)c1n[nH]cc1Cl ZINC001187852231 1122444314 /nfs/dbraw/zinc/44/43/14/1122444314.db2.gz TWOVHZAPLZFNSU-UHFFFAOYSA-N 0 1 283.803 3.544 20 0 CHADMN C[C@@H]1CC[C@H](CO)CN1Cc1cc(Cl)ccc1Cl ZINC000135728585 1122444534 /nfs/dbraw/zinc/44/45/34/1122444534.db2.gz FLZFJIJNLUOOJE-MNOVXSKESA-N 0 1 288.218 3.586 20 0 CHADMN c1ccc2c(c1)C=C(C[N@H+]1CCc3ccccc3C1)CO2 ZINC000435235482 1122446302 /nfs/dbraw/zinc/44/63/02/1122446302.db2.gz DYIAPUJJEORQMM-UHFFFAOYSA-N 0 1 277.367 3.521 20 0 CHADMN c1ccc2c(c1)C=C(CN1CCc3ccccc3C1)CO2 ZINC000435235482 1122446303 /nfs/dbraw/zinc/44/63/03/1122446303.db2.gz DYIAPUJJEORQMM-UHFFFAOYSA-N 0 1 277.367 3.521 20 0 CHADMN CN(Cc1cccc2cc[nH]c21)Cc1ccccc1F ZINC000505640826 1122447468 /nfs/dbraw/zinc/44/74/68/1122447468.db2.gz SUPRDKGPQXYKDS-UHFFFAOYSA-N 0 1 268.335 3.939 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc(CC)o2)cc1 ZINC000505641711 1122448000 /nfs/dbraw/zinc/44/80/00/1122448000.db2.gz ZNIAORDRHSHZNE-UHFFFAOYSA-N 0 1 273.376 3.873 20 0 CHADMN O=C(Nc1ccsc1)c1cc(-c2ccccc2F)n[nH]1 ZINC001188013604 1122452121 /nfs/dbraw/zinc/45/21/21/1122452121.db2.gz XEXUKMQYLIJIPN-UHFFFAOYSA-N 0 1 287.319 3.530 20 0 CHADMN COc1cccc([C@H]2CCCN2Cc2cncn2C(C)C)c1 ZINC000425327995 1122455933 /nfs/dbraw/zinc/45/59/33/1122455933.db2.gz QKNSLTCZGCGSCA-GOSISDBHSA-N 0 1 299.418 3.810 20 0 CHADMN C[C@H](F)CCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000505665062 1122458637 /nfs/dbraw/zinc/45/86/37/1122458637.db2.gz TUMIRXVXRPQHTE-AEZGRPFRSA-N 0 1 277.368 3.815 20 0 CHADMN CCc1ccc(-c2n[nH]c(SCCC3CC3)n2)cc1 ZINC001188253265 1122461252 /nfs/dbraw/zinc/46/12/52/1122461252.db2.gz XFEPTSDXSXCEIW-UHFFFAOYSA-N 0 1 273.405 3.926 20 0 CHADMN Cc1cn[nH]c1CSc1nccn1-c1ccc(C)cc1C ZINC001188356770 1122463628 /nfs/dbraw/zinc/46/36/28/1122463628.db2.gz LAJMAOJGNXTSFF-UHFFFAOYSA-N 0 1 298.415 3.813 20 0 CHADMN Cc1nccc(N2CCC[C@H]([C@@H]3CCCCO3)C2)c1Cl ZINC000664489985 1122470096 /nfs/dbraw/zinc/47/00/96/1122470096.db2.gz VAHFTZOJYBKMLO-ZFWWWQNUSA-N 0 1 294.826 3.829 20 0 CHADMN Cc1ccc2ccccc2c1NC(=O)c1ccncc1O ZINC001188622237 1122471597 /nfs/dbraw/zinc/47/15/97/1122471597.db2.gz NVQJZEWOMJZHKD-UHFFFAOYSA-N 0 1 278.311 3.501 20 0 CHADMN C[C@H](N[C@@H]1CCCN(C)c2ccccc21)c1ccoc1 ZINC000515038838 1122472295 /nfs/dbraw/zinc/47/22/95/1122472295.db2.gz IFLPGLQPOAYHRY-XJKSGUPXSA-N 0 1 270.376 3.902 20 0 CHADMN CC[C@H](c1ccccc1OC)N(C)Cc1cccn1C ZINC000515050881 1122472665 /nfs/dbraw/zinc/47/26/65/1122472665.db2.gz ODIZGRQSPWDQAX-MRXNPFEDSA-N 0 1 272.392 3.617 20 0 CHADMN Cc1nc([C@@H](C)Sc2ncc(C(C)C)n2C2CC2)n[nH]1 ZINC001188814230 1122478581 /nfs/dbraw/zinc/47/85/81/1122478581.db2.gz JLMVQROVICVIHI-SECBINFHSA-N 0 1 291.424 3.621 20 0 CHADMN O=C(Nc1cccc2ccccc21)Nc1ncc(F)cc1O ZINC001188912632 1122480095 /nfs/dbraw/zinc/48/00/95/1122480095.db2.gz KNBDRYIRRDRZRB-UHFFFAOYSA-N 0 1 297.289 3.724 20 0 CHADMN Cc1cncc(CN(C)Cc2cccc3ccccc32)n1 ZINC001203169742 1122480955 /nfs/dbraw/zinc/48/09/55/1122480955.db2.gz BBZFYCLMWCDDOG-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN COC(=O)c1ccc(-c2nc3ccc(SC)cc3[nH]2)cc1 ZINC000435683316 1122481576 /nfs/dbraw/zinc/48/15/76/1122481576.db2.gz QCNJXNCEPCNVAC-UHFFFAOYSA-N 0 1 298.367 3.738 20 0 CHADMN COc1cccc([C@H](C)SCc2n[nH]c(C(C)C)n2)c1 ZINC001188951881 1122481800 /nfs/dbraw/zinc/48/18/00/1122481800.db2.gz HGLVBDBQUXULPV-NSHDSACASA-N 0 1 291.420 3.931 20 0 CHADMN CCC[C@@H](C)N(C)Cc1csc(Nc2ccccc2)n1 ZINC000515194434 1122482462 /nfs/dbraw/zinc/48/24/62/1122482462.db2.gz MHAFMFYSTCNPHH-CYBMUJFWSA-N 0 1 289.448 3.929 20 0 CHADMN Clc1ccc(OCCN2C3CCC2CC3)c(Cl)c1 ZINC000515238620 1122486216 /nfs/dbraw/zinc/48/62/16/1122486216.db2.gz KHMNQJYYJYPRIN-UHFFFAOYSA-N 0 1 286.202 3.999 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCCCCC3)n[nH]2)cc1C ZINC000435813665 1122491340 /nfs/dbraw/zinc/49/13/40/1122491340.db2.gz LHFDBZJFNASMIZ-UHFFFAOYSA-N 0 1 297.402 3.710 20 0 CHADMN Cc1ccccc1CCC[N@H+]1[C@H](C)CC[C@H](C(=O)[O-])[C@@H]1C ZINC000515356778 1122494316 /nfs/dbraw/zinc/49/43/16/1122494316.db2.gz HUHNWWOVBCODEI-VYDXJSESSA-N 0 1 289.419 3.501 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)C(C)C)n[nH]2)cc1C ZINC000435928397 1122498482 /nfs/dbraw/zinc/49/84/82/1122498482.db2.gz VGNNALFBZMOHAX-CQSZACIVSA-N 0 1 299.418 3.810 20 0 CHADMN COc1cccc([C@@H](C)N[C@@H](C)c2cn3ccccc3n2)c1 ZINC000515525306 1122506271 /nfs/dbraw/zinc/50/62/71/1122506271.db2.gz CQVIGROLKLHQNM-KGLIPLIRSA-N 0 1 295.386 3.755 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1cccc(C2CCCC2)c1 ZINC000901602770 1129059460 /nfs/dbraw/zinc/05/94/60/1129059460.db2.gz VRURADMBCPMBDF-UHFFFAOYSA-N 0 1 275.392 3.641 20 0 CHADMN COC(=O)c1csc([C@H](C)NCc2cccc(F)c2)c1 ZINC000285470615 1122511637 /nfs/dbraw/zinc/51/16/37/1122511637.db2.gz AUNYTHNGUXXPGQ-JTQLQIEISA-N 0 1 293.363 3.525 20 0 CHADMN c1cc(-c2ccc(CSc3cn[nH]n3)cc2)cs1 ZINC000436205468 1122522850 /nfs/dbraw/zinc/52/28/50/1122522850.db2.gz DCGXLTARTDRMNC-UHFFFAOYSA-N 0 1 273.386 3.826 20 0 CHADMN OCC[C@@H](NCc1ccc(Cl)c(F)c1)c1cccs1 ZINC000077459926 1122538331 /nfs/dbraw/zinc/53/83/31/1122538331.db2.gz HJPSLDZBUXQTAW-CYBMUJFWSA-N 0 1 299.798 3.754 20 0 CHADMN C[C@H]1CCCN(Cc2ccn(-c3ccccc3F)n2)[C@H]1C ZINC000515764871 1122538836 /nfs/dbraw/zinc/53/88/36/1122538836.db2.gz WJNAIDAERBXXQS-KBPBESRZSA-N 0 1 287.382 3.632 20 0 CHADMN CCCNC(=O)CN(CCC)Cc1cccc(C(C)C)c1 ZINC001190436415 1122538833 /nfs/dbraw/zinc/53/88/33/1122538833.db2.gz DZXIWVDFSNZHCB-UHFFFAOYSA-N 0 1 290.451 3.548 20 0 CHADMN CCOc1cccc(Cl)c1CN(CC)C(C)C ZINC001190448322 1122539966 /nfs/dbraw/zinc/53/99/66/1122539966.db2.gz YZBWCQQWROPWJH-UHFFFAOYSA-N 0 1 255.789 3.969 20 0 CHADMN CCCCCN1CCN(C(=O)CCC2CCCCC2)CC1 ZINC001190457412 1122540130 /nfs/dbraw/zinc/54/01/30/1122540130.db2.gz LLSLRGFAYHVFKK-UHFFFAOYSA-N 0 1 294.483 3.681 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CCN(c2ccccc2)CC1 ZINC000515782086 1122540256 /nfs/dbraw/zinc/54/02/56/1122540256.db2.gz SOPBDLBXBCFQTP-OAHLLOKOSA-N 0 1 284.378 3.709 20 0 CHADMN CCN(Cc1cnc(C)cn1)[C@H](C)c1ccc(F)cc1 ZINC000505803972 1122543157 /nfs/dbraw/zinc/54/31/57/1122543157.db2.gz XAQUQNYTPIEKMY-CYBMUJFWSA-N 0 1 273.355 3.507 20 0 CHADMN COc1ccc2c(c1)CN(Cc1ccc(C)c(OC)c1)CC2 ZINC000436486302 1122556085 /nfs/dbraw/zinc/55/60/85/1122556085.db2.gz MXAGCGCOXZLNRD-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](CN(C)C)c2ccc(F)cc2)o1 ZINC000286912798 1122559602 /nfs/dbraw/zinc/55/96/02/1122559602.db2.gz FCLXCLJWQJRRMZ-XJKSGUPXSA-N 0 1 290.382 3.681 20 0 CHADMN Cl/C=C(/Cl)CN[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000775422763 1122560693 /nfs/dbraw/zinc/56/06/93/1122560693.db2.gz ZCBYQIWIGRKOLU-FWRQMEPDSA-N 0 1 286.202 3.673 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)c2cc(C)cc(C)c2)c1 ZINC000436652543 1122567836 /nfs/dbraw/zinc/56/78/36/1122567836.db2.gz OGAKVFJNEFIUPE-UHFFFAOYSA-N 0 1 297.354 3.854 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)CC2=CCCCC2)c1 ZINC000436649096 1122569428 /nfs/dbraw/zinc/56/94/28/1122569428.db2.gz VRPKDEJYEICMIM-UHFFFAOYSA-N 0 1 287.359 3.814 20 0 CHADMN CCCN(C(=O)c1ccc(Nc2ccncc2)cc1)C(C)C ZINC000516088132 1122569644 /nfs/dbraw/zinc/56/96/44/1122569644.db2.gz IOKKOOJBOXIJNT-UHFFFAOYSA-N 0 1 297.402 3.508 20 0 CHADMN CC[C@@H]1CN(Cc2cccc(C(C)(C)C)c2)C[C@@H](C)O1 ZINC001191048848 1122571411 /nfs/dbraw/zinc/57/14/11/1122571411.db2.gz UKPSMRSFHVJAOS-RHSMWYFYSA-N 0 1 275.436 3.983 20 0 CHADMN CC[C@H]1CN(Cc2cccc(C(C)C)c2)C[C@@H](C)O1 ZINC001191047765 1122571593 /nfs/dbraw/zinc/57/15/93/1122571593.db2.gz IHOFOEWOTGLQCU-PBHICJAKSA-N 0 1 261.409 3.809 20 0 CHADMN CC[C@@H]1CN(Cc2cccc(C(C)C)c2)C[C@@H](C)O1 ZINC001191047766 1122571768 /nfs/dbraw/zinc/57/17/68/1122571768.db2.gz IHOFOEWOTGLQCU-RHSMWYFYSA-N 0 1 261.409 3.809 20 0 CHADMN CCCc1nc(C)c(NC(=O)c2ccc(F)cc2O)s1 ZINC000436679782 1122571916 /nfs/dbraw/zinc/57/19/16/1122571916.db2.gz LXXTWNDNKCRGCC-UHFFFAOYSA-N 0 1 294.351 3.501 20 0 CHADMN CC[C@@H](NC(=O)c1[nH]nc(C)c1C)c1ccc(C)cc1C ZINC001191130483 1122579513 /nfs/dbraw/zinc/57/95/13/1122579513.db2.gz KOYAADLAAZOHFS-OAHLLOKOSA-N 0 1 285.391 3.524 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)CC(C)(C)C2CC2)c1 ZINC000436765548 1122582262 /nfs/dbraw/zinc/58/22/62/1122582262.db2.gz PWPXGUSXXXZMCZ-UHFFFAOYSA-N 0 1 289.375 3.750 20 0 CHADMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000516300421 1122587332 /nfs/dbraw/zinc/58/73/32/1122587332.db2.gz AGSVWTSYDFYVJF-PWSUYJOCSA-N 0 1 281.783 3.659 20 0 CHADMN c1c(CN2CCCC3(C2)CCCCCC3)nn2c1CCC2 ZINC001191351241 1122591973 /nfs/dbraw/zinc/59/19/73/1122591973.db2.gz ZBNHHPVYMRTUPF-UHFFFAOYSA-N 0 1 287.451 3.766 20 0 CHADMN Cc1ccc(OCCNC2(c3ccccc3F)CC2)cc1 ZINC000775450194 1122592917 /nfs/dbraw/zinc/59/29/17/1122592917.db2.gz NCCLBDKRLZWKTR-UHFFFAOYSA-N 0 1 285.362 3.792 20 0 CHADMN Fc1cccc([C@H]2CCN2CCN2CCc3ccccc32)c1 ZINC001191401294 1122594997 /nfs/dbraw/zinc/59/49/97/1122594997.db2.gz XDGSEWZJRNBTFD-LJQANCHMSA-N 0 1 296.389 3.635 20 0 CHADMN CC[C@H](C)C[N@@H+](CC)CC(=O)Nc1cccc(Cl)c1 ZINC001191373428 1122596002 /nfs/dbraw/zinc/59/60/02/1122596002.db2.gz BPFJBBAMKVFRAC-LBPRGKRZSA-N 0 1 282.815 3.647 20 0 CHADMN CC(C)CCCN1CCc2c(F)ccc(F)c2C1 ZINC001191415810 1122599021 /nfs/dbraw/zinc/59/90/21/1122599021.db2.gz AOVHHIAQEAXZKM-UHFFFAOYSA-N 0 1 253.336 3.759 20 0 CHADMN O=C(Nc1cccc(C2CC2)n1)c1cc(Cl)ccc1O ZINC000436998460 1122601728 /nfs/dbraw/zinc/60/17/28/1122601728.db2.gz HHWSPWRCZNRSES-UHFFFAOYSA-N 0 1 288.734 3.570 20 0 CHADMN CC1(CCNC(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000436985214 1122602667 /nfs/dbraw/zinc/60/26/67/1122602667.db2.gz DLNRETAFWUYXPQ-UHFFFAOYSA-N 0 1 288.174 3.619 20 0 CHADMN CCCCC[C@@H]1CCCCN1C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000620566622 1129065488 /nfs/dbraw/zinc/06/54/88/1129065488.db2.gz LZVZWYDDYLTHRK-GDBMZVCRSA-N 0 1 291.439 3.550 20 0 CHADMN CC(C)[C@H]1CCN(Cc2cc(C(F)(F)F)co2)C1 ZINC001191541006 1122604621 /nfs/dbraw/zinc/60/46/21/1122604621.db2.gz LJVQUHISLLALKR-JTQLQIEISA-N 0 1 261.287 3.776 20 0 CHADMN CN(Cc1cnn(-c2ccccc2)n1)C1CCC(C)(C)CC1 ZINC001191551284 1122605367 /nfs/dbraw/zinc/60/53/67/1122605367.db2.gz PZISBWFBMLQHPS-UHFFFAOYSA-N 0 1 298.434 3.668 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H]1CCc2c1cccc2F ZINC000437075617 1122609158 /nfs/dbraw/zinc/60/91/58/1122609158.db2.gz JLHRKZXVQYZVJS-MEDUHNTESA-N 0 1 286.350 3.567 20 0 CHADMN CC[C@H]1CCCN1Cc1cccc(F)c1Br ZINC000158005664 1122611397 /nfs/dbraw/zinc/61/13/97/1122611397.db2.gz BELZFSUIWPHMHI-NSHDSACASA-N 0 1 286.188 3.963 20 0 CHADMN O[C@@H](CN[C@H](c1ccco1)c1ccccc1)c1ccccc1 ZINC000193310386 1129066458 /nfs/dbraw/zinc/06/64/58/1129066458.db2.gz URLGOUSZYYDMNK-HKUYNNGSSA-N 0 1 293.366 3.692 20 0 CHADMN Cc1ccc(C)c(CN[C@H](c2ccccc2F)[C@H](C)O)c1 ZINC000516655775 1122618966 /nfs/dbraw/zinc/61/89/66/1122618966.db2.gz LMCNVDLFJVQGIE-KSSFIOAISA-N 0 1 287.378 3.654 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1ccc(OC)c(F)c1 ZINC000506005445 1122623040 /nfs/dbraw/zinc/62/30/40/1122623040.db2.gz WQDHFYRXWQLTSN-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN COc1ccsc1CN(C)[C@@H](C)c1ccccc1 ZINC000506011754 1122624948 /nfs/dbraw/zinc/62/49/48/1122624948.db2.gz GORANOJBLSNDTP-LBPRGKRZSA-N 0 1 261.390 3.950 20 0 CHADMN CC1=CCCN(Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000437344188 1122629359 /nfs/dbraw/zinc/62/93/59/1122629359.db2.gz MKUADHVSGHHGCA-UHFFFAOYSA-N 0 1 287.794 3.678 20 0 CHADMN CC(C)c1ccccc1NC([O-])=[NH+]c1ccnc2c1CCC2 ZINC001192225966 1122636589 /nfs/dbraw/zinc/63/65/89/1122636589.db2.gz OMGFCDQXXJZJRB-UHFFFAOYSA-N 0 1 295.386 3.760 20 0 CHADMN C[C@@H](N(C)CC(=O)Nc1cccc2ccccc21)C1(C)CC1 ZINC000437523787 1122638155 /nfs/dbraw/zinc/63/81/55/1122638155.db2.gz LKCDOHRSBGFPSB-CQSZACIVSA-N 0 1 296.414 3.899 20 0 CHADMN C[C@@H](Cc1ccsc1)NCc1nc2ccccc2o1 ZINC000638404713 1122640009 /nfs/dbraw/zinc/64/00/09/1122640009.db2.gz LCPCWKKZLJSLMW-NSHDSACASA-N 0 1 272.373 3.610 20 0 CHADMN C[C@H](CN1CCn2cccc2[C@H]1C)c1ccc(F)cc1 ZINC000437582056 1122643628 /nfs/dbraw/zinc/64/36/28/1122643628.db2.gz QMTOOKRIOJTSFX-ZIAGYGMSSA-N 0 1 272.367 3.808 20 0 CHADMN CCN(Cc1ccc(OC)nc1)Cc1cccc(Cl)c1 ZINC000437587658 1122644839 /nfs/dbraw/zinc/64/48/39/1122644839.db2.gz GEFNEWWDIVWTDK-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN Cc1ccc2cc(CN(C)Cc3ccoc3)ccc2n1 ZINC000437685041 1122650281 /nfs/dbraw/zinc/65/02/81/1122650281.db2.gz HZYDFBPDXARBGL-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN CCC[C@@H](NC/C=C(/C)C(=O)OC)c1ccc(F)cc1F ZINC000775543701 1122658069 /nfs/dbraw/zinc/65/80/69/1122658069.db2.gz WZTZOKYKQVKICU-MEODZPNASA-N 0 1 297.345 3.515 20 0 CHADMN Cc1ccccc1[C@H](C)N1CCO[C@@H](Cc2ccccc2)C1 ZINC001192847701 1122659900 /nfs/dbraw/zinc/65/99/00/1122659900.db2.gz KVRANMIQAVVATF-HKUYNNGSSA-N 0 1 295.426 4.000 20 0 CHADMN CC1(C)CC(NCc2cc(-c3ccccc3)on2)C1 ZINC000425931823 1122664012 /nfs/dbraw/zinc/66/40/12/1122664012.db2.gz NFSSRJVAHKQIDX-UHFFFAOYSA-N 0 1 256.349 3.620 20 0 CHADMN CSC[C@@H]1CCCN1Cc1ccc(Cl)cc1F ZINC000438090160 1122674443 /nfs/dbraw/zinc/67/44/43/1122674443.db2.gz ARQUOVUQAZMBGX-LBPRGKRZSA-N 0 1 273.804 3.807 20 0 CHADMN CC[C@H]1CN(Cc2cc3c(cccc3F)[nH]2)CCS1 ZINC000438105125 1122678249 /nfs/dbraw/zinc/67/82/49/1122678249.db2.gz ZHXXOQCVRZMXQJ-LBPRGKRZSA-N 0 1 278.396 3.634 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000438120068 1122682889 /nfs/dbraw/zinc/68/28/89/1122682889.db2.gz KQGAUABGKADTBT-TZMCWYRMSA-N 0 1 297.801 3.728 20 0 CHADMN Cc1cccc(C[N@H+](C)Cc2cccc3c2OCCCO3)c1 ZINC000506186378 1122686274 /nfs/dbraw/zinc/68/62/74/1122686274.db2.gz BDNNZMUBWUDBDF-UHFFFAOYSA-N 0 1 297.398 3.788 20 0 CHADMN Cc1cccc(CN(C)Cc2cccc3c2OCCCO3)c1 ZINC000506186378 1122686275 /nfs/dbraw/zinc/68/62/75/1122686275.db2.gz BDNNZMUBWUDBDF-UHFFFAOYSA-N 0 1 297.398 3.788 20 0 CHADMN CCCn1cc(CN2CCC[C@@H]2c2ccsc2)cn1 ZINC000153547227 1129071512 /nfs/dbraw/zinc/07/15/12/1129071512.db2.gz AJGUOOXNXHLDDT-OAHLLOKOSA-N 0 1 275.421 3.692 20 0 CHADMN Cc1cnc(C2CCN(C/C=C/c3ccncc3)CC2)s1 ZINC000425979766 1122691401 /nfs/dbraw/zinc/69/14/01/1122691401.db2.gz LSEDEPWZTYEPTJ-NSCUHMNNSA-N 0 1 299.443 3.739 20 0 CHADMN Cc1ccoc1CNCc1ccccc1N(C)C(C)C ZINC000438336403 1122692033 /nfs/dbraw/zinc/69/20/33/1122692033.db2.gz UQXYBBDPGWQUAQ-UHFFFAOYSA-N 0 1 272.392 3.722 20 0 CHADMN CC1(C)CN(Cc2c(Cl)oc3ccccc32)CC[C@H]1O ZINC000438336194 1122692409 /nfs/dbraw/zinc/69/24/09/1122692409.db2.gz JZFOHYDNMFVENY-CQSZACIVSA-N 0 1 293.794 3.679 20 0 CHADMN CCCn1cc(CN2CCC[C@H]2c2ccsc2)cn1 ZINC000153547352 1129071751 /nfs/dbraw/zinc/07/17/51/1129071751.db2.gz AJGUOOXNXHLDDT-HNNXBMFYSA-N 0 1 275.421 3.692 20 0 CHADMN Cc1nc([C@H]2CCCN2CCc2cccc(F)c2)cs1 ZINC001193583964 1122699667 /nfs/dbraw/zinc/69/96/67/1122699667.db2.gz SMZOSRAJFKZZHM-MRXNPFEDSA-N 0 1 290.407 3.970 20 0 CHADMN Cc1c(CN[C@@H](C)c2cc3ccc(C)cc3o2)cnn1C ZINC000426064472 1122709798 /nfs/dbraw/zinc/70/97/98/1122709798.db2.gz YHZMBFWJWTVUKB-LBPRGKRZSA-N 0 1 283.375 3.634 20 0 CHADMN Nc1cncn1-c1cccc2c3ccccc3sc21 ZINC001193733611 1122710794 /nfs/dbraw/zinc/71/07/94/1122710794.db2.gz OUIGXTRNAAKUFS-UHFFFAOYSA-N 0 1 265.341 3.822 20 0 CHADMN Cc1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1C ZINC000506340954 1122720657 /nfs/dbraw/zinc/72/06/57/1122720657.db2.gz OFVLHFBIYNUTRB-LJQANCHMSA-N 0 1 281.399 3.877 20 0 CHADMN Cc1ccccc1CCC[N@H+](C)CCC(F)(F)F ZINC000438785649 1122724343 /nfs/dbraw/zinc/72/43/43/1122724343.db2.gz OQLDKYRTSREHOB-UHFFFAOYSA-N 0 1 259.315 3.812 20 0 CHADMN CC(C)c1nc(CN(C)[C@@H]2CC[C@H](C)C2)cs1 ZINC000429602613 1122728376 /nfs/dbraw/zinc/72/83/76/1122728376.db2.gz YUZUKUDDMNRGSS-WCQYABFASA-N 0 1 252.427 3.887 20 0 CHADMN Cc1cnccc1CN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000294633503 1122733830 /nfs/dbraw/zinc/73/38/30/1122733830.db2.gz ANWSJTGIFTWESM-LJQANCHMSA-N 0 1 296.414 3.571 20 0 CHADMN CN(Cc1nc(C2CC2)cs1)CC1(O)CCCCCC1 ZINC000426201622 1122734835 /nfs/dbraw/zinc/73/48/35/1122734835.db2.gz PQVGHAYNXYSBIJ-UHFFFAOYSA-N 0 1 294.464 3.538 20 0 CHADMN CCCC[C@H](CC)COC(=O)Nc1ncc(F)cc1O ZINC001193950782 1122737119 /nfs/dbraw/zinc/73/71/19/1122737119.db2.gz GIZCILJAGDFNKI-JTQLQIEISA-N 0 1 284.331 3.691 20 0 CHADMN CCc1ccc([C@@H]2CCCN(Cc3nocc3C)C2)cc1 ZINC001194115713 1122747563 /nfs/dbraw/zinc/74/75/63/1122747563.db2.gz FQDNAURVVSWMOT-QGZVFWFLSA-N 0 1 284.403 3.925 20 0 CHADMN CC(=O)c1cccc(CSc2nc(C(C)(C)C)n[nH]2)c1 ZINC000295799405 1122756746 /nfs/dbraw/zinc/75/67/46/1122756746.db2.gz SJBLVAUHAHTHDV-UHFFFAOYSA-N 0 1 289.404 3.597 20 0 CHADMN CC(=O)c1cccc(CSc2n[nH]c(C(C)(C)C)n2)c1 ZINC000295799405 1122756747 /nfs/dbraw/zinc/75/67/47/1122756747.db2.gz SJBLVAUHAHTHDV-UHFFFAOYSA-N 0 1 289.404 3.597 20 0 CHADMN Cc1nnsc1CN[C@@H](C)c1ccccc1C(C)(C)C ZINC000426314964 1122762576 /nfs/dbraw/zinc/76/25/76/1122762576.db2.gz SOXAFMDBLOOICQ-NSHDSACASA-N 0 1 289.448 3.995 20 0 CHADMN Cc1nc2ccc(CN(C)Cc3ccccn3)cc2s1 ZINC000426353519 1122771933 /nfs/dbraw/zinc/77/19/33/1122771933.db2.gz VBCUMQYGPQQBRY-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN Cc1cncc(CN2CCC(Sc3ccccc3)CC2)n1 ZINC001203174534 1122780837 /nfs/dbraw/zinc/78/08/37/1122780837.db2.gz FCECCQFAFFWMCD-UHFFFAOYSA-N 0 1 299.443 3.542 20 0 CHADMN COc1c(O)cccc1CN(C)Cc1cccc2[nH]ccc21 ZINC000426394331 1122781909 /nfs/dbraw/zinc/78/19/09/1122781909.db2.gz IURWNHCFIUELLB-UHFFFAOYSA-N 0 1 296.370 3.514 20 0 CHADMN CN(Cc1c(F)cccc1F)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001194561868 1122783968 /nfs/dbraw/zinc/78/39/68/1122783968.db2.gz GPPYOSBLKCFXJI-UPJWGTAASA-N 0 1 265.347 3.833 20 0 CHADMN CSC[C@@H]1CCC[N@@H+](Cc2c(F)ccc(C)c2F)C1 ZINC001194650155 1122788726 /nfs/dbraw/zinc/78/87/26/1122788726.db2.gz WKDLVCWXUNHNOE-GFCCVEGCSA-N 0 1 285.403 3.848 20 0 CHADMN CSC[C@@H]1CCCN(Cc2c(F)ccc(C)c2F)C1 ZINC001194650155 1122788731 /nfs/dbraw/zinc/78/87/31/1122788731.db2.gz WKDLVCWXUNHNOE-GFCCVEGCSA-N 0 1 285.403 3.848 20 0 CHADMN CCOc1cccc(Cl)c1CN1CC[C@H](SC)C1 ZINC001194703902 1122789912 /nfs/dbraw/zinc/78/99/12/1122789912.db2.gz SMZQUXWEXWZYIE-NSHDSACASA-N 0 1 285.840 3.676 20 0 CHADMN CCCN(CC)C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000426443992 1122795193 /nfs/dbraw/zinc/79/51/93/1122795193.db2.gz GQIALMHPMBKPHB-UHFFFAOYSA-N 0 1 297.811 3.664 20 0 CHADMN c1sc(Nc2ccccc2)nc1CN1CC[C@@H]2CCC[C@H]21 ZINC000426467319 1122799548 /nfs/dbraw/zinc/79/95/48/1122799548.db2.gz ISXZEPQAUZHYBG-XJKSGUPXSA-N 0 1 299.443 3.683 20 0 CHADMN c1sc(Nc2ccccc2)nc1CN1CC[C@H]2CCC[C@@H]21 ZINC000426467317 1122799629 /nfs/dbraw/zinc/79/96/29/1122799629.db2.gz ISXZEPQAUZHYBG-CJNGLKHVSA-N 0 1 299.443 3.683 20 0 CHADMN Cc1ccccc1[C@H](N[C@H]1C[C@H](C)n2ccnc21)C1CC1 ZINC000297682998 1122800440 /nfs/dbraw/zinc/80/04/40/1122800440.db2.gz LQHABHIBQQEQHS-RRQGHBQHSA-N 0 1 281.403 3.938 20 0 CHADMN CC[C@@H](C)COC(=O)Nc1cnccc1N1CCCCC1 ZINC001194771764 1122803272 /nfs/dbraw/zinc/80/32/72/1122803272.db2.gz IHTNCCKQVWNQJF-CYBMUJFWSA-N 0 1 291.395 3.667 20 0 CHADMN CN(Cc1ncc(Br)s1)C1(C)CCCC1 ZINC000426530654 1122813729 /nfs/dbraw/zinc/81/37/29/1122813729.db2.gz FLTAWZRINPVPDB-UHFFFAOYSA-N 0 1 289.242 3.670 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000153912449 1129079686 /nfs/dbraw/zinc/07/96/86/1129079686.db2.gz NXCKQNWSRFZGHI-QGHHPUGFSA-N 0 1 288.366 3.844 20 0 CHADMN CC[C@H](C)N(C)Cc1csc(CCC(C)C)n1 ZINC000439963404 1122816890 /nfs/dbraw/zinc/81/68/90/1122816890.db2.gz MQEHNJHTYKMOQA-LBPRGKRZSA-N 0 1 254.443 3.962 20 0 CHADMN COc1cccc(CN(C)[C@@H]2CC2(C)C)c1OC(C)C ZINC000426557107 1122821804 /nfs/dbraw/zinc/82/18/04/1122821804.db2.gz DLKVIKQEXOHFQX-OAHLLOKOSA-N 0 1 277.408 3.713 20 0 CHADMN CCCc1noc(CN[C@H]2CCCC[C@H]2C(C)(C)C)n1 ZINC000440049328 1122821947 /nfs/dbraw/zinc/82/19/47/1122821947.db2.gz FYMUOCZYIJTNPT-OLZOCXBDSA-N 0 1 279.428 3.717 20 0 CHADMN CCCc1noc(CN[C@@H]2CCCC[C@H]2C(C)(C)C)n1 ZINC000440049327 1122821985 /nfs/dbraw/zinc/82/19/85/1122821985.db2.gz FYMUOCZYIJTNPT-CHWSQXEVSA-N 0 1 279.428 3.717 20 0 CHADMN CCN(CC1CC1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000073596983 1122826302 /nfs/dbraw/zinc/82/63/02/1122826302.db2.gz RYANVQUCQWALHV-UHFFFAOYSA-N 0 1 295.386 3.697 20 0 CHADMN C[C@@H]1[C@H](CO)CCCN1Cc1cccc(Cl)c1Cl ZINC001195047838 1122835270 /nfs/dbraw/zinc/83/52/70/1122835270.db2.gz WBFMYLKYOQRXFE-PWSUYJOCSA-N 0 1 288.218 3.586 20 0 CHADMN CCC(CC)(CNCc1ncc(C)o1)c1ccccc1 ZINC000638705594 1122839231 /nfs/dbraw/zinc/83/92/31/1122839231.db2.gz DJIVLPYYYOVGMF-UHFFFAOYSA-N 0 1 272.392 3.831 20 0 CHADMN CC[C@H](COC)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000154034726 1129081808 /nfs/dbraw/zinc/08/18/08/1129081808.db2.gz HZYDGQOYMQNTBY-WDEREUQCSA-N 0 1 270.442 3.516 20 0 CHADMN C[C@H]1Cc2cc(CN3CCC[C@H]3c3cccnc3)ccc2O1 ZINC000894448974 1122854778 /nfs/dbraw/zinc/85/47/78/1122854778.db2.gz IBSYOSGJDLTHLZ-KSSFIOAISA-N 0 1 294.398 3.742 20 0 CHADMN C[C@@H](c1ccncc1)N(C)Cc1cccc2c1NCCC2 ZINC000894448064 1122854826 /nfs/dbraw/zinc/85/48/26/1122854826.db2.gz AKNDUODDKRHGKE-AWEZNQCLSA-N 0 1 281.403 3.633 20 0 CHADMN COc1c(F)cc(F)cc1CN1C2CCCC1CCC2 ZINC001143568323 1122856228 /nfs/dbraw/zinc/85/62/28/1122856228.db2.gz SWPINBCZEDZEIM-UHFFFAOYSA-N 0 1 281.346 3.880 20 0 CHADMN Cc1cccc2c1CC[C@@H]2N[C@@H](C)c1cn2ccccc2n1 ZINC000519548238 1122857532 /nfs/dbraw/zinc/85/75/32/1122857532.db2.gz JDJRPZUIOQGDRF-YOEHRIQHSA-N 0 1 291.398 3.981 20 0 CHADMN Cc1cccc(Cl)c1S(=O)(=O)Nc1ccsc1 ZINC001195271939 1122858945 /nfs/dbraw/zinc/85/89/45/1122858945.db2.gz SVCFZBRDCRSZJA-UHFFFAOYSA-N 0 1 287.793 3.511 20 0 CHADMN CC1(C)CN(C[C@H]2CCC(F)(F)C2)[C@H]1c1cccnc1 ZINC000664824692 1122865723 /nfs/dbraw/zinc/86/57/23/1122865723.db2.gz XGWRFUORQDOQHT-JSGCOSHPSA-N 0 1 280.362 3.900 20 0 CHADMN CC(C)c1ncc(CN(C)[C@H](C)c2ccccc2)cn1 ZINC000440458729 1122873796 /nfs/dbraw/zinc/87/37/96/1122873796.db2.gz HHRSBAMJQQGNRI-CQSZACIVSA-N 0 1 269.392 3.793 20 0 CHADMN Cc1cc2nc(-c3ncc(Cl)s3)[nH]c2cc1F ZINC001250642925 1122874469 /nfs/dbraw/zinc/87/44/69/1122874469.db2.gz GBHLYAALKABXND-UHFFFAOYSA-N 0 1 267.716 3.787 20 0 CHADMN C[C@@H]1CN(CCc2cccc(F)c2)CC2(CCCCC2)O1 ZINC001195651154 1122881677 /nfs/dbraw/zinc/88/16/77/1122881677.db2.gz VAXJUAVZWCGUFN-OAHLLOKOSA-N 0 1 291.410 3.792 20 0 CHADMN CCOCCN(C)[C@@H]1CCCc2c(OC)ccc(Cl)c21 ZINC001195730278 1122882241 /nfs/dbraw/zinc/88/22/41/1122882241.db2.gz XHLKFKGUYXZXER-CQSZACIVSA-N 0 1 297.826 3.694 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2c2ccc(C)nc2)o1 ZINC001203302266 1122886332 /nfs/dbraw/zinc/88/63/32/1122886332.db2.gz XYFPHPGMFAKBIF-INIZCTEOSA-N 0 1 256.349 3.629 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(F)c(C)c2)o1 ZINC000894665970 1122887610 /nfs/dbraw/zinc/88/76/10/1122887610.db2.gz CWIYQXAUCZBKFC-LLVKDONJSA-N 0 1 263.312 3.587 20 0 CHADMN Cc1cc(CN[C@@H]2C[C@@H](C)Oc3ccccc32)cnc1F ZINC000894687316 1122893319 /nfs/dbraw/zinc/89/33/19/1122893319.db2.gz BUHPTGYHLZSPHX-IUODEOHRSA-N 0 1 286.350 3.531 20 0 CHADMN C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1ccc(O)c(F)c1 ZINC000894706031 1122895698 /nfs/dbraw/zinc/89/56/98/1122895698.db2.gz CNLMMJZFLSIBAC-MWLCHTKSSA-N 0 1 291.288 3.694 20 0 CHADMN CCc1nc(CNC2CC(c3ccc(F)cc3F)C2)co1 ZINC000894745783 1122900427 /nfs/dbraw/zinc/90/04/27/1122900427.db2.gz QQYSFGOGHLOVRS-UHFFFAOYSA-N 0 1 292.329 3.551 20 0 CHADMN Cc1ccoc1CN[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000266231002 1129085501 /nfs/dbraw/zinc/08/55/01/1129085501.db2.gz UPDZGCAVOGSTLQ-ZDUSSCGKSA-N 0 1 287.359 3.600 20 0 CHADMN C[C@@H]1CCC[C@H](CN2Cc3ccccc3NC(=O)[C@@H]2C)C1 ZINC001196014748 1122902316 /nfs/dbraw/zinc/90/23/16/1122902316.db2.gz XQYGEMFAEUBREG-ILXRZTDVSA-N 0 1 286.419 3.656 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN1CCC[C@@H](C)C1 ZINC000338907296 1122904174 /nfs/dbraw/zinc/90/41/74/1122904174.db2.gz JHPXYVJHNSVWKO-LLVKDONJSA-N 0 1 276.405 3.943 20 0 CHADMN CC[C@H](c1ccccc1OC)N(C)Cc1n[nH]c(C)c1C ZINC000894785679 1122905722 /nfs/dbraw/zinc/90/57/22/1122905722.db2.gz ZAQGKPZXMRIWFH-MRXNPFEDSA-N 0 1 287.407 3.618 20 0 CHADMN CC1(C)CC2(CC(Nc3ccc4cnccc4c3)C2)CO1 ZINC000894808324 1122907099 /nfs/dbraw/zinc/90/70/99/1122907099.db2.gz MBJNIJHCOFYHMA-UHFFFAOYSA-N 0 1 282.387 3.994 20 0 CHADMN CC(C)=CCC[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC001196127741 1122907218 /nfs/dbraw/zinc/90/72/18/1122907218.db2.gz AAZFNQWRKIDXCB-LJQANCHMSA-N 0 1 299.414 3.843 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc(C(C)C)nc2)cc1 ZINC000440479722 1122907628 /nfs/dbraw/zinc/90/76/28/1122907628.db2.gz SSLCZNGRJBSRPV-UHFFFAOYSA-N 0 1 269.392 3.540 20 0 CHADMN C[C@@H](N[C@H]1CCC(C)(C)C1)c1nc(Cc2ccccc2)no1 ZINC000506925154 1122913013 /nfs/dbraw/zinc/91/30/13/1122913013.db2.gz GMVIOFCWUDSMTE-HIFRSBDPSA-N 0 1 299.418 3.890 20 0 CHADMN Cc1ccc(CCCN2C[C@H](C)O[C@](C)(C(F)F)C2)cc1 ZINC001196274289 1122914821 /nfs/dbraw/zinc/91/48/21/1122914821.db2.gz FBPAXLOQZZGJAS-YOEHRIQHSA-N 0 1 297.389 3.672 20 0 CHADMN Cc1ccc([C@H](CC(=O)[O-])[NH2+]Cc2cc3ccccc3o2)o1 ZINC000426780861 1122914920 /nfs/dbraw/zinc/91/49/20/1122914920.db2.gz AVIVFXPIRFLHJP-AWEZNQCLSA-N 0 1 299.326 3.640 20 0 CHADMN C/C=C\C[C@@H]1CCCN(Cc2cccc(Cl)n2)C1 ZINC001196615534 1122928159 /nfs/dbraw/zinc/92/81/59/1122928159.db2.gz XAEPTLSGKCNTLR-XQJDBVBESA-N 0 1 264.800 3.913 20 0 CHADMN COc1cc(CN2Cc3ccccc3C[C@H]2C)cc(OC)c1 ZINC001203857701 1122930802 /nfs/dbraw/zinc/93/08/02/1122930802.db2.gz JQYLHVJVARNIOO-CQSZACIVSA-N 0 1 297.398 3.651 20 0 CHADMN CCN1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000427014173 1122932686 /nfs/dbraw/zinc/93/26/86/1122932686.db2.gz YXFHCMOIXQGUTP-CQSZACIVSA-N 0 1 275.783 3.887 20 0 CHADMN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CC[C@@H](C)C1 ZINC000507162780 1122932899 /nfs/dbraw/zinc/93/28/99/1122932899.db2.gz DUJOXVNJZPKDPO-ILXRZTDVSA-N 0 1 288.435 3.869 20 0 CHADMN Cc1ccc(O)c(CN(Cc2ccccc2F)C(C)C)n1 ZINC000507156708 1122933778 /nfs/dbraw/zinc/93/37/78/1122933778.db2.gz UUDMRQPJYLQGQH-UHFFFAOYSA-N 0 1 288.366 3.645 20 0 CHADMN CC(C)N(C)c1ccccc1CN[C@@H](C)c1ccccn1 ZINC000427000742 1122933820 /nfs/dbraw/zinc/93/38/20/1122933820.db2.gz PWQWQKPWONLURP-HNNXBMFYSA-N 0 1 283.419 3.777 20 0 CHADMN COc1cccc([C@H](C)[N@@H+](C)Cc2occc2C)c1 ZINC000507225438 1122939692 /nfs/dbraw/zinc/93/96/92/1122939692.db2.gz DBHMLGMSYUQTPC-ZDUSSCGKSA-N 0 1 259.349 3.790 20 0 CHADMN COc1cccc([C@H](C)N(C)Cc2occc2C)c1 ZINC000507225438 1122939696 /nfs/dbraw/zinc/93/96/96/1122939696.db2.gz DBHMLGMSYUQTPC-ZDUSSCGKSA-N 0 1 259.349 3.790 20 0 CHADMN Cc1cccc(OC2CCN(Cc3cccc(O)c3)CC2)c1 ZINC001203863679 1122939815 /nfs/dbraw/zinc/93/98/15/1122939815.db2.gz JUKMTOWKBNYIAM-UHFFFAOYSA-N 0 1 297.398 3.744 20 0 CHADMN CCC[N@@H+](Cc1nc2c(s1)C[C@@H](C)CC2)C1CC1 ZINC000507225615 1122939873 /nfs/dbraw/zinc/93/98/73/1122939873.db2.gz AJXYNMNFFDUJON-NSHDSACASA-N 0 1 264.438 3.642 20 0 CHADMN c1ncn2ccc(-c3noc([C@H]4CCCC5(CC5)C4)n3)cc12 ZINC000664862788 1122940257 /nfs/dbraw/zinc/94/02/57/1122940257.db2.gz OOLAQBUMQLRQLG-ZDUSSCGKSA-N 0 1 294.358 3.822 20 0 CHADMN C[C@H](c1ccccc1Br)[N@@H+](C)CC1CC1 ZINC000507226147 1122940620 /nfs/dbraw/zinc/94/06/20/1122940620.db2.gz BPSATPQYNUKIKP-SNVBAGLBSA-N 0 1 268.198 3.852 20 0 CHADMN Oc1c(F)c(F)ccc1NC(=S)Nc1ccc(F)cc1 ZINC001196948657 1122941322 /nfs/dbraw/zinc/94/13/22/1122941322.db2.gz XGJZBURXRPKBBS-UHFFFAOYSA-N 0 1 298.289 3.618 20 0 CHADMN CCCN(Cc1ncc(CSC)s1)CC(C)C ZINC000507314214 1122946145 /nfs/dbraw/zinc/94/61/45/1122946145.db2.gz ZYFHXFWVUPJKAA-UHFFFAOYSA-N 0 1 272.483 3.874 20 0 CHADMN CC1(C)Cc2n[nH]cc2CN(C/C=C/c2ccccc2)C1 ZINC000664866606 1122948076 /nfs/dbraw/zinc/94/80/76/1122948076.db2.gz ALNOOMMMHVWALP-RMKNXTFCSA-N 0 1 281.403 3.507 20 0 CHADMN Clc1ccc(CN2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1 ZINC001197314907 1122951353 /nfs/dbraw/zinc/95/13/53/1122951353.db2.gz GJRNWOWAPMMNIH-ROUUACIJSA-N 0 1 298.817 3.803 20 0 CHADMN CCc1ncc(C[N@@H+](C)[C@H](C)c2cccs2)s1 ZINC000507443943 1122955082 /nfs/dbraw/zinc/95/50/82/1122955082.db2.gz ZDMBURIRXZCDRH-SNVBAGLBSA-N 0 1 266.435 3.960 20 0 CHADMN CCc1ncc(CN(C)[C@H](C)c2cccs2)s1 ZINC000507443943 1122955086 /nfs/dbraw/zinc/95/50/86/1122955086.db2.gz ZDMBURIRXZCDRH-SNVBAGLBSA-N 0 1 266.435 3.960 20 0 CHADMN CCCCC[C@H](CC)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000775770489 1122955009 /nfs/dbraw/zinc/95/50/09/1122955009.db2.gz DLYKBZHTHHUCRO-NSHDSACASA-N 0 1 274.368 3.503 20 0 CHADMN CC(C)n1cc(CN2Cc3ccccc3C(C)(C)C2)cn1 ZINC000353681969 1122955710 /nfs/dbraw/zinc/95/57/10/1122955710.db2.gz NENSTVLXLLBOQQ-UHFFFAOYSA-N 0 1 283.419 3.757 20 0 CHADMN CSc1ccccc1[C@H]1CCCN1Cc1cncc(C)n1 ZINC001203176395 1122956191 /nfs/dbraw/zinc/95/61/91/1122956191.db2.gz YTMMFDINTHJXCB-MRXNPFEDSA-N 0 1 299.443 3.844 20 0 CHADMN CC[C@H](C)N(C)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000154562149 1129088997 /nfs/dbraw/zinc/08/89/97/1129088997.db2.gz CJLSKRBZYXIZGO-JTQLQIEISA-N 0 1 299.340 3.822 20 0 CHADMN CC1(C)[C@@H](c2cccc(Cl)c2)CCN1Cc1cc[nH]n1 ZINC001197480940 1122956915 /nfs/dbraw/zinc/95/69/15/1122956915.db2.gz GQNVQZIQJOPXLY-OAHLLOKOSA-N 0 1 289.810 3.831 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccc(OC)c(F)c1 ZINC000507515813 1122960329 /nfs/dbraw/zinc/96/03/29/1122960329.db2.gz VEPZEWHRZVZOGQ-LBPRGKRZSA-N 0 1 288.366 3.643 20 0 CHADMN Cc1cccc2c1CC[C@@H]2N[C@H](C)c1ccncc1F ZINC000334188292 1122968939 /nfs/dbraw/zinc/96/89/39/1122968939.db2.gz HEGJFWUJGKRMOY-PXAZEXFGSA-N 0 1 270.351 3.867 20 0 CHADMN Cc1ccc(NC(=S)Nc2c(O)cc(F)cc2F)cc1 ZINC001197923354 1122973933 /nfs/dbraw/zinc/97/39/33/1122973933.db2.gz QIKYTMCTRRAJFT-UHFFFAOYSA-N 0 1 294.326 3.788 20 0 CHADMN Fc1ccc2nc(-c3cnc(C4CC4)s3)[nH]c2c1 ZINC001251655644 1122975868 /nfs/dbraw/zinc/97/58/68/1122975868.db2.gz ULQWGJOOEZOAPI-UHFFFAOYSA-N 0 1 259.309 3.703 20 0 CHADMN CO[C@]1(C)CCC[N@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000348223392 1122976031 /nfs/dbraw/zinc/97/60/31/1122976031.db2.gz GSDXSPKXXPLKGE-IAQYHMDHSA-N 0 1 269.335 3.527 20 0 CHADMN CO[C@]1(C)CCCN([C@H](C)c2c(F)cccc2F)C1 ZINC000348223392 1122976035 /nfs/dbraw/zinc/97/60/35/1122976035.db2.gz GSDXSPKXXPLKGE-IAQYHMDHSA-N 0 1 269.335 3.527 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccc(F)cn1)CCC2 ZINC000334260030 1122978216 /nfs/dbraw/zinc/97/82/16/1122978216.db2.gz VOQNHUKTZICDHN-KRWDZBQOSA-N 0 1 270.351 3.696 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2)C(C)(C)C)nn1C ZINC000487383748 1122981719 /nfs/dbraw/zinc/98/17/19/1122981719.db2.gz ZUEVJERFAQPJDY-INIZCTEOSA-N 0 1 271.408 3.606 20 0 CHADMN Cc1ccsc1CN1CCOC[C@@H]1Cc1ccccc1 ZINC000507667372 1122982729 /nfs/dbraw/zinc/98/27/29/1122982729.db2.gz VAAQODSUFRVOBI-INIZCTEOSA-N 0 1 287.428 3.500 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)c1ccoc1Cl ZINC000334329414 1122987361 /nfs/dbraw/zinc/98/73/61/1122987361.db2.gz NYFVWXOGLKAVNQ-UHFFFAOYSA-N 0 1 290.077 3.683 20 0 CHADMN Cc1ccccc1NC(=S)Nc1c(O)cc(F)cc1F ZINC001198421152 1122990756 /nfs/dbraw/zinc/99/07/56/1122990756.db2.gz YDLOECFIXCPYAX-UHFFFAOYSA-N 0 1 294.326 3.788 20 0 CHADMN Cc1cccc(NC(=S)Nc2cc(O)c(F)c(F)c2)c1 ZINC001198690875 1123004437 /nfs/dbraw/zinc/00/44/37/1123004437.db2.gz XQMONDFIRSRMAN-UHFFFAOYSA-N 0 1 294.326 3.788 20 0 CHADMN CC(C)c1nc(CNCc2cccs2)c2ccccn21 ZINC000519623089 1123009538 /nfs/dbraw/zinc/00/95/38/1123009538.db2.gz BJNYEOZKDLXBLR-UHFFFAOYSA-N 0 1 285.416 3.809 20 0 CHADMN C[C@@H]1c2ccc(Cl)n2CCN1CCCCCF ZINC000794433611 1123010754 /nfs/dbraw/zinc/01/07/54/1123010754.db2.gz CENBUIWSJGOHPB-LLVKDONJSA-N 0 1 258.768 3.658 20 0 CHADMN CC1(C)CN(CCC(F)(F)F)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440544151 1123011767 /nfs/dbraw/zinc/01/17/67/1123011767.db2.gz QJTVJKAFRMKLSL-DYEKYZERSA-N 0 1 291.357 3.608 20 0 CHADMN CC[C@@H](F)CN[C@H](C)c1cc2cccc(F)c2o1 ZINC000440530556 1123012178 /nfs/dbraw/zinc/01/21/78/1123012178.db2.gz HUINBLFSDMBUMT-MWLCHTKSSA-N 0 1 253.292 3.971 20 0 CHADMN CCc1ccc2c(c1)CCN(Cc1cccc(C)n1)C2 ZINC001198820413 1123013179 /nfs/dbraw/zinc/01/31/79/1123013179.db2.gz JMYXNSBPWULHTA-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN O=C([O-])[C@@H]1C[N@H+]([C@H]2C=CCCCCC2)C[C@@H]1c1ccccc1 ZINC000519713039 1123020090 /nfs/dbraw/zinc/02/00/90/1123020090.db2.gz VTUWWRWPUWSBLI-RCCFBDPRSA-N 0 1 299.414 3.676 20 0 CHADMN Fc1ccc2ccc(CNCc3ccsc3)nc2c1F ZINC001199285851 1123025201 /nfs/dbraw/zinc/02/52/01/1123025201.db2.gz HMIOEYDKSDXJHT-UHFFFAOYSA-N 0 1 290.338 3.864 20 0 CHADMN Cc1cccc(C[N@@H+](CCCC(=O)[O-])Cc2ccccc2)c1 ZINC000519781647 1123025977 /nfs/dbraw/zinc/02/59/77/1123025977.db2.gz HCHNRWLNXGHJHB-UHFFFAOYSA-N 0 1 297.398 3.862 20 0 CHADMN CCc1nc(C)c(CN(CC)Cc2ccc(Cl)cc2)[nH]1 ZINC001203246303 1123039641 /nfs/dbraw/zinc/03/96/41/1123039641.db2.gz FGSRMGAPYQPKFA-UHFFFAOYSA-N 0 1 291.826 3.956 20 0 CHADMN C(=C\c1ccccc1)\CNCc1ccn(-c2ccccc2)n1 ZINC001199812528 1123042025 /nfs/dbraw/zinc/04/20/25/1123042025.db2.gz LKVDRKDEXGVAAZ-YFHOEESVSA-N 0 1 289.382 3.675 20 0 CHADMN CSC[C@@H](C)N[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000925100019 1123073227 /nfs/dbraw/zinc/07/32/27/1123073227.db2.gz ZURJSIALOJZYBP-PBHICJAKSA-N 0 1 286.444 3.821 20 0 CHADMN CCCN(CC)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000441274336 1123074084 /nfs/dbraw/zinc/07/40/84/1123074084.db2.gz FZCUXFMWJOBWAO-UHFFFAOYSA-N 0 1 258.365 3.882 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cc2cccnc2o1 ZINC000520334999 1123077484 /nfs/dbraw/zinc/07/74/84/1123077484.db2.gz YOKGBVMHAIXHGV-LBPRGKRZSA-N 0 1 281.359 3.636 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cc2cccnc2o1 ZINC000520334998 1123077532 /nfs/dbraw/zinc/07/75/32/1123077532.db2.gz YOKGBVMHAIXHGV-GFCCVEGCSA-N 0 1 281.359 3.636 20 0 CHADMN Cc1cc(F)cc(CN2CCC[C@H]2c2cccnc2)c1 ZINC001143580812 1123079725 /nfs/dbraw/zinc/07/97/25/1123079725.db2.gz XJUUMTZATQXDKB-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cc(F)cc(CN2CCC[C@@H]2c2cccnc2)c1 ZINC001143580813 1123081356 /nfs/dbraw/zinc/08/13/56/1123081356.db2.gz XJUUMTZATQXDKB-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN COc1ccccc1[C@H](C)NCc1ccc(F)c(C)c1 ZINC000050544662 1123091399 /nfs/dbraw/zinc/09/13/99/1123091399.db2.gz CPCJANAXFYVFJY-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN CC(C)Cc1ccc(CN[C@H]2COCc3ccccc32)cn1 ZINC000894951728 1123092765 /nfs/dbraw/zinc/09/27/65/1123092765.db2.gz USOXCKFGONNRBI-IBGZPJMESA-N 0 1 296.414 3.641 20 0 CHADMN CCCc1ccccc1NC(=O)Cc1n[nH]c2ccccc12 ZINC000050574285 1123093437 /nfs/dbraw/zinc/09/34/37/1123093437.db2.gz WNMKIMNDNGICMP-UHFFFAOYSA-N 0 1 293.370 3.697 20 0 CHADMN CCSCCN1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000441449414 1123106751 /nfs/dbraw/zinc/10/67/51/1123106751.db2.gz QQJFXAMAPULXMQ-RDJZCZTQSA-N 0 1 293.476 3.818 20 0 CHADMN CC(C)=CCC[C@H](C)CN1CCO[C@H](c2ccccn2)C1 ZINC001201497978 1123111746 /nfs/dbraw/zinc/11/17/46/1123111746.db2.gz ZXHOJJOQLYHFMC-WMZOPIPTSA-N 0 1 288.435 3.837 20 0 CHADMN CC[C@@H](C)CN1CCc2ccc(Br)cc2C1 ZINC001201510938 1123114064 /nfs/dbraw/zinc/11/40/64/1123114064.db2.gz AOJUHXWFOAUNPB-LLVKDONJSA-N 0 1 282.225 3.853 20 0 CHADMN CC(C)Oc1ncccc1CN[C@@H](C)c1ccsc1 ZINC000050344536 1123130353 /nfs/dbraw/zinc/13/03/53/1123130353.db2.gz VUOQAAQNZNRLMF-LBPRGKRZSA-N 0 1 276.405 3.781 20 0 CHADMN CCC[C@H]1C[N@@H+](CCC(C)C)CCN1C(=O)OC(C)(C)C ZINC001201627384 1123132814 /nfs/dbraw/zinc/13/28/14/1123132814.db2.gz YMMWJUXXKJBUHZ-HNNXBMFYSA-N 0 1 298.471 3.754 20 0 CHADMN CCCN1Cc2c(Br)cccc2C[C@@H]1C ZINC001201652851 1123135893 /nfs/dbraw/zinc/13/58/93/1123135893.db2.gz VZMJKMJRECLUFG-JTQLQIEISA-N 0 1 268.198 3.606 20 0 CHADMN CSCCCN1CCC[C@H]1c1c(F)cccc1F ZINC001201696225 1123137744 /nfs/dbraw/zinc/13/77/44/1123137744.db2.gz IQYZKJWZUIHSCP-ZDUSSCGKSA-N 0 1 271.376 3.855 20 0 CHADMN Clc1ncccc1CNC/C=C/c1ccccc1 ZINC001201692603 1123143716 /nfs/dbraw/zinc/14/37/16/1123143716.db2.gz DFFXMDRTPJDBJU-XBXARRHUSA-N 0 1 258.752 3.538 20 0 CHADMN CCc1ncc(CN[C@@H](CC)c2ccc(C)c(F)c2)cn1 ZINC001201761706 1123148348 /nfs/dbraw/zinc/14/83/48/1123148348.db2.gz UFBVDOMUHBFJEH-INIZCTEOSA-N 0 1 287.382 3.727 20 0 CHADMN CC[C@H](CN1CCSC[C@@H]1c1ccc(Cl)cc1)OC ZINC001307465915 1123154675 /nfs/dbraw/zinc/15/46/75/1123154675.db2.gz HWYAKRCMJLTHQF-HUUCEWRRSA-N 0 1 299.867 3.855 20 0 CHADMN CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1CC1CC1 ZINC001201951730 1123162327 /nfs/dbraw/zinc/16/23/27/1123162327.db2.gz YJOMAEWVCJDXHR-SJORKVTESA-N 0 1 287.403 3.555 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CCC(=O)C[C@H]1C ZINC001201970945 1123165166 /nfs/dbraw/zinc/16/51/66/1123165166.db2.gz BMQLUNCYNXNSKY-LSDHHAIUSA-N 0 1 251.414 3.812 20 0 CHADMN CCc1ccc(CC)c(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001126510921 1123169664 /nfs/dbraw/zinc/16/96/64/1123169664.db2.gz XLSIRDLXFIAGML-KRWDZBQOSA-N 0 1 288.435 3.623 20 0 CHADMN CCc1ccc(CC)c(NC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC001126510921 1123169667 /nfs/dbraw/zinc/16/96/67/1123169667.db2.gz XLSIRDLXFIAGML-KRWDZBQOSA-N 0 1 288.435 3.623 20 0 CHADMN CC[C@@H](C)N(C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000093351499 1123174245 /nfs/dbraw/zinc/17/42/45/1123174245.db2.gz AHEDKYDATAWIKC-MRVPVSSYSA-N 0 1 296.321 3.763 20 0 CHADMN COc1ccccc1CN(C)Cc1cc(C)cc(F)c1 ZINC001143586455 1123176203 /nfs/dbraw/zinc/17/62/03/1123176203.db2.gz NMNYHZWSFWLBHH-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN COc1ccccc1NC(=O)Nc1cccc(Cl)c1O ZINC001202125114 1123176986 /nfs/dbraw/zinc/17/69/86/1123176986.db2.gz SHBVXJGHDFTEDN-UHFFFAOYSA-N 0 1 292.722 3.698 20 0 CHADMN Cc1cc(C)c(/C=C/CN[C@@H](CCO)c2ccco2)c(C)c1 ZINC001202111307 1123178754 /nfs/dbraw/zinc/17/87/54/1123178754.db2.gz QHLMFBPGKLJOBT-JXTAAOLFSA-N 0 1 299.414 3.931 20 0 CHADMN Clc1ccc(CNC/C=C\c2ccccc2)nc1 ZINC000776254354 1123180709 /nfs/dbraw/zinc/18/07/09/1123180709.db2.gz CEAXFGCNXVCTSB-DAXSKMNVSA-N 0 1 258.752 3.538 20 0 CHADMN c1ccc2c(c1)oc1c2CCN(CC2CCCC2)C1 ZINC001202178230 1123182047 /nfs/dbraw/zinc/18/20/47/1123182047.db2.gz OUPWNBNVOSSAIV-UHFFFAOYSA-N 0 1 255.361 3.981 20 0 CHADMN COc1ccc(CNCc2c(C)cccc2C)c(F)c1 ZINC000776249755 1123182730 /nfs/dbraw/zinc/18/27/30/1123182730.db2.gz XFBMKGXUWYELDB-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(SC(F)F)cc2)[nH]n1 ZINC000749287735 1123188665 /nfs/dbraw/zinc/18/86/65/1123188665.db2.gz NWTWULWZBLGSAA-SNVBAGLBSA-N 0 1 297.374 3.884 20 0 CHADMN CC(C)Oc1cccc(CNCc2ccc(Cl)cn2)c1 ZINC000776255334 1123188810 /nfs/dbraw/zinc/18/88/10/1123188810.db2.gz UKZHDCKJBUFJAY-UHFFFAOYSA-N 0 1 290.794 3.812 20 0 CHADMN Cc1ccccc1C1(NCc2cnc(F)c(C)c2)CC1 ZINC000895092139 1123190814 /nfs/dbraw/zinc/19/08/14/1123190814.db2.gz NTKRKTUMYZGENX-UHFFFAOYSA-N 0 1 270.351 3.616 20 0 CHADMN CCOc1ccc(CNc2ccc3nc[nH]c3c2)cc1F ZINC001202350294 1123197792 /nfs/dbraw/zinc/19/77/92/1123197792.db2.gz ZDGNKNSIOOAGST-UHFFFAOYSA-N 0 1 285.322 3.713 20 0 CHADMN Cc1cccc(NC(=O)Nc2cccc(Cl)c2O)c1 ZINC001202315995 1123198240 /nfs/dbraw/zinc/19/82/40/1123198240.db2.gz VCVNDPZWDKKRMX-UHFFFAOYSA-N 0 1 276.723 3.998 20 0 CHADMN Cc1cccc(OC2CCN(CCC(F)(F)F)CC2)c1 ZINC001202352588 1123201397 /nfs/dbraw/zinc/20/13/97/1123201397.db2.gz MERYYWIJIMNRAD-UHFFFAOYSA-N 0 1 287.325 3.791 20 0 CHADMN CC[N@@H+](CCCO)Cc1ccc(-c2ccccc2)cc1F ZINC000507796430 1123203629 /nfs/dbraw/zinc/20/36/29/1123203629.db2.gz NDSNUEHQVULMHC-UHFFFAOYSA-N 0 1 287.378 3.697 20 0 CHADMN CCN(CCCO)Cc1ccc(-c2ccccc2)cc1F ZINC000507796430 1123203631 /nfs/dbraw/zinc/20/36/31/1123203631.db2.gz NDSNUEHQVULMHC-UHFFFAOYSA-N 0 1 287.378 3.697 20 0 CHADMN c1n[nH]nc1SCCCOc1cccc2ccccc21 ZINC000155811148 1129106003 /nfs/dbraw/zinc/10/60/03/1129106003.db2.gz MKSZOCQUUXWFNF-UHFFFAOYSA-N 0 1 285.372 3.519 20 0 CHADMN CC(C)Cc1ncc(CNCc2ccc(F)cc2)s1 ZINC000161940217 1123210705 /nfs/dbraw/zinc/21/07/05/1123210705.db2.gz HZZSEQWYVBMSSI-UHFFFAOYSA-N 0 1 278.396 3.771 20 0 CHADMN CC[C@@H]1C[C@@H](CN(CC(F)F)CC2CCC2)CCO1 ZINC000507809961 1123217676 /nfs/dbraw/zinc/21/76/76/1123217676.db2.gz GDJDRUSPIGYIOR-UONOGXRCSA-N 0 1 275.383 3.559 20 0 CHADMN COc1ccc2ccccc2c1CN1CCCC[C@@H]1C(C)=O ZINC001203991622 1123218019 /nfs/dbraw/zinc/21/80/19/1123218019.db2.gz RTHYCCWGXYYILV-GOSISDBHSA-N 0 1 297.398 3.792 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@H](C)c2cnccn2)c1 ZINC000155890908 1129107190 /nfs/dbraw/zinc/10/71/90/1129107190.db2.gz OZBMHMDJXIMJLD-ZIAGYGMSSA-N 0 1 255.365 3.505 20 0 CHADMN Cc1cnc(-c2ccc(F)c(CN(C)C)c2)c(C)c1 ZINC000665199626 1123227421 /nfs/dbraw/zinc/22/74/21/1123227421.db2.gz PZYZJYPMWYUHGD-UHFFFAOYSA-N 0 1 258.340 3.566 20 0 CHADMN CN(C)Cc1cc(-c2ccc(OC(F)F)cn2)ccc1F ZINC000665199285 1123227842 /nfs/dbraw/zinc/22/78/42/1123227842.db2.gz AXDSPQZZFJPWDB-UHFFFAOYSA-N 0 1 296.292 3.551 20 0 CHADMN CCN(Cc1ccnn1CC(C)C)Cc1ccccc1 ZINC000647999056 1123237801 /nfs/dbraw/zinc/23/78/01/1123237801.db2.gz XRTHOYHVYILCKP-UHFFFAOYSA-N 0 1 271.408 3.561 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H]2CCCc3c(F)cccc32)c(C)n1 ZINC000334521406 1123240945 /nfs/dbraw/zinc/24/09/45/1123240945.db2.gz CXWFLADSPPAAOJ-XIKOKIGWSA-N 0 1 299.393 3.961 20 0 CHADMN COc1cncc(CN[C@H]2CCc3c2cccc3Cl)c1 ZINC000850093878 1123242410 /nfs/dbraw/zinc/24/24/10/1123242410.db2.gz KYAZGVMPLOXBDT-INIZCTEOSA-N 0 1 288.778 3.521 20 0 CHADMN COc1cncc(CN[C@@H]2CCc3c2cccc3Cl)c1 ZINC000850093879 1123242588 /nfs/dbraw/zinc/24/25/88/1123242588.db2.gz KYAZGVMPLOXBDT-MRXNPFEDSA-N 0 1 288.778 3.521 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H](C)c2cccc(C)c2C)cn1 ZINC000427857520 1123255636 /nfs/dbraw/zinc/25/56/36/1123255636.db2.gz ITEGJGKJKDBCJP-HUUCEWRRSA-N 0 1 269.392 3.814 20 0 CHADMN Cn1nc(-c2ccccc2)c(CN[C@@H]2C=CCC2)c1Cl ZINC000850358606 1123256447 /nfs/dbraw/zinc/25/64/47/1123256447.db2.gz HJOYROFKNNOMQF-CYBMUJFWSA-N 0 1 287.794 3.549 20 0 CHADMN CSc1ccc(CN2CCC3(CC3(F)F)CC2)o1 ZINC000895135563 1123257217 /nfs/dbraw/zinc/25/72/17/1123257217.db2.gz BWULJGCBFYMVKD-UHFFFAOYSA-N 0 1 273.348 3.623 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H](C)c2c(C)cccc2C)cn1 ZINC000427858946 1123257314 /nfs/dbraw/zinc/25/73/14/1123257314.db2.gz UYVCJUYZFSVGGF-HUUCEWRRSA-N 0 1 269.392 3.814 20 0 CHADMN O[C@@H]1C[C@@H](NCc2ccc(Cl)cc2)c2ccccc21 ZINC000850371178 1123258384 /nfs/dbraw/zinc/25/83/84/1123258384.db2.gz VIZAPEPPQKQGNE-HZPDHXFCSA-N 0 1 273.763 3.608 20 0 CHADMN Cc1cc(Cl)cc(CN[C@H]2C[C@H](O)c3ccccc32)c1 ZINC000850373616 1123259218 /nfs/dbraw/zinc/25/92/18/1123259218.db2.gz ICUNHEWVHXVCHY-IRXDYDNUSA-N 0 1 287.790 3.916 20 0 CHADMN CC(C)CCn1cccc1CN[C@H]1C[C@@H](O)c2ccccc21 ZINC000850372745 1123259486 /nfs/dbraw/zinc/25/94/86/1123259486.db2.gz YICOSDCWISKWIB-RBUKOAKNSA-N 0 1 298.430 3.802 20 0 CHADMN CSc1ccc(CN[C@H]2C[C@H](O)c3ccccc32)s1 ZINC000850374162 1123259765 /nfs/dbraw/zinc/25/97/65/1123259765.db2.gz KOVXIEXAHSJRLH-KBPBESRZSA-N 0 1 291.441 3.738 20 0 CHADMN C[C@H](N[C@H]1CCCN(C)c2ccccc21)c1ccccn1 ZINC000334579866 1123262753 /nfs/dbraw/zinc/26/27/53/1123262753.db2.gz OIUZBGUERJKGBD-YOEHRIQHSA-N 0 1 281.403 3.704 20 0 CHADMN Cc1ncc(CN[C@H](C)c2ccc3c(c2)CCCO3)s1 ZINC000850431449 1123266527 /nfs/dbraw/zinc/26/65/27/1123266527.db2.gz DPDLRVUDGIFKBV-LLVKDONJSA-N 0 1 288.416 3.627 20 0 CHADMN COc1cccc(OC)c1CN[C@@H]1CCc2cc(C)ccc21 ZINC000850504741 1123275981 /nfs/dbraw/zinc/27/59/81/1123275981.db2.gz DNAARDHWQBOCPP-QGZVFWFLSA-N 0 1 297.398 3.789 20 0 CHADMN C[C@H](N[C@H]1C=CCC1)c1nc2ccc(Cl)cc2n1C ZINC000850508053 1123276973 /nfs/dbraw/zinc/27/69/73/1123276973.db2.gz HTQXMMABDZFZQD-JQWIXIFHSA-N 0 1 275.783 3.596 20 0 CHADMN Cc1ccc(CN(Cc2n[nH]c(C(C)C)n2)C2CC2)cc1C ZINC000428215492 1123281524 /nfs/dbraw/zinc/28/15/24/1123281524.db2.gz BPJPNMKTQNHMEH-UHFFFAOYSA-N 0 1 298.434 3.710 20 0 CHADMN CCC[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1cccnc1 ZINC000850526421 1123282167 /nfs/dbraw/zinc/28/21/67/1123282167.db2.gz BZVUZWRYHCEBOZ-BZSNNMDCSA-N 0 1 282.387 3.691 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1cccc(F)c1 ZINC000850528048 1123283036 /nfs/dbraw/zinc/28/30/36/1123283036.db2.gz DMZYOJSIISZFPE-YMRXKLBXSA-N 0 1 271.335 3.655 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1cc(F)cc(F)c1 ZINC000850529185 1123283961 /nfs/dbraw/zinc/28/39/61/1123283961.db2.gz OBZGJBNPYYOHPS-HKJPBSJPSA-N 0 1 289.325 3.794 20 0 CHADMN Cc1ccc2cc(CN3CCOC[C@@H]3C3CCC3)ccc2n1 ZINC000520815673 1123284259 /nfs/dbraw/zinc/28/42/59/1123284259.db2.gz VKWXZTSHZQRNPT-LJQANCHMSA-N 0 1 296.414 3.544 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2C[C@@H](O)c3ccccc32)c(C)n1 ZINC000850530249 1123284900 /nfs/dbraw/zinc/28/49/00/1123284900.db2.gz XVJGWYFZHXCURJ-DOPJRALCSA-N 0 1 282.387 3.527 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1ccc(F)c(F)c1 ZINC000850530369 1123284939 /nfs/dbraw/zinc/28/49/39/1123284939.db2.gz XYIYPSYQSKMVKS-LZVXQISVSA-N 0 1 289.325 3.794 20 0 CHADMN C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1ccnc(Cl)c1 ZINC000850543535 1123288631 /nfs/dbraw/zinc/28/86/31/1123288631.db2.gz LTMPTOQJJNUHLG-BMIGLBTASA-N 0 1 288.778 3.779 20 0 CHADMN COc1ccc(Cl)c(CN(C)Cc2ccccc2O)c1 ZINC000192102765 1123289624 /nfs/dbraw/zinc/28/96/24/1123289624.db2.gz CIEDIDDJIFQPBZ-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN FC(F)(F)[C@H]1CCN(Cc2ccccn2)CC12CCC2 ZINC000335068536 1123292128 /nfs/dbraw/zinc/29/21/28/1123292128.db2.gz QPNKLWGKNPZJJT-ZDUSSCGKSA-N 0 1 284.325 3.636 20 0 CHADMN C[C@H](O)[C@@H](N[C@@H](C)c1ccnc(Cl)c1)c1ccccc1 ZINC000850583970 1123296398 /nfs/dbraw/zinc/29/63/98/1123296398.db2.gz PAGOWHUZCGRCBZ-MQIPJXDCSA-N 0 1 290.794 3.508 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCNc3ccccc32)nc1C ZINC000335150791 1123310351 /nfs/dbraw/zinc/31/03/51/1123310351.db2.gz RPRKMANDOWXFHF-GOSISDBHSA-N 0 1 281.403 3.735 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)N1CC(C)(C)C[C@@H]1C ZINC000335188478 1123320731 /nfs/dbraw/zinc/32/07/31/1123320731.db2.gz IUGUGBSSHGOLJO-QWRGUYRKSA-N 0 1 291.420 3.980 20 0 CHADMN O=C(OCc1cc(C2CC2)[nH]n1)C1[C@H]2CCCCCC[C@H]12 ZINC000851118568 1123325561 /nfs/dbraw/zinc/32/55/61/1123325561.db2.gz CKLPRHMOGYIYJY-KBPBESRZSA-N 0 1 288.391 3.547 20 0 CHADMN C[C@H](Nc1ccc(Cl)c(CN(C)C)c1)[C@@H]1CCCOC1 ZINC000467444267 1123329149 /nfs/dbraw/zinc/32/91/49/1123329149.db2.gz GQTDHPBVCSOEBR-QWHCGFSZSA-N 0 1 296.842 3.629 20 0 CHADMN c1ccc(-c2nnc(CN3CC[C@@H](C4CCC4)C3)s2)cc1 ZINC000665290385 1123333576 /nfs/dbraw/zinc/33/35/76/1123333576.db2.gz WKMHHTZZKLBYAX-OAHLLOKOSA-N 0 1 299.443 3.827 20 0 CHADMN Cc1cncc(CN2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000442686489 1123333998 /nfs/dbraw/zinc/33/39/98/1123333998.db2.gz YYWJQEVFZMBZGY-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CC(C)(C)C[C@@H]1CCCN1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442886904 1123346636 /nfs/dbraw/zinc/34/66/36/1123346636.db2.gz VMCPCCLBRGVXNG-NSHDSACASA-N 0 1 289.345 3.829 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442884726 1123347174 /nfs/dbraw/zinc/34/71/74/1123347174.db2.gz ZEUJABOBWOKDAR-CMPLNLGQSA-N 0 1 289.345 3.829 20 0 CHADMN CC1(C)C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@@H]2CCC[C@H]2O1 ZINC000442958270 1123349740 /nfs/dbraw/zinc/34/97/40/1123349740.db2.gz BKNWYWVEKVIWGO-WNRNVDISSA-N 0 1 285.431 3.822 20 0 CHADMN CC1(C)CN(C[C@@H]2C[C@H]2c2ccccc2)[C@@H]2CCC[C@H]2O1 ZINC000442958270 1123349743 /nfs/dbraw/zinc/34/97/43/1123349743.db2.gz BKNWYWVEKVIWGO-WNRNVDISSA-N 0 1 285.431 3.822 20 0 CHADMN CC1(C)C[N@@H+](C[C@H]2C[C@H]2c2ccccc2)[C@@H]2CCC[C@H]2O1 ZINC000442958272 1123350203 /nfs/dbraw/zinc/35/02/03/1123350203.db2.gz BKNWYWVEKVIWGO-XMTFNYHQSA-N 0 1 285.431 3.822 20 0 CHADMN CC1(C)CN(C[C@H]2C[C@H]2c2ccccc2)[C@@H]2CCC[C@H]2O1 ZINC000442958272 1123350207 /nfs/dbraw/zinc/35/02/07/1123350207.db2.gz BKNWYWVEKVIWGO-XMTFNYHQSA-N 0 1 285.431 3.822 20 0 CHADMN Cc1sc([C@@H](C)N)nc1-c1c(F)cc(F)cc1F ZINC000335333502 1123359418 /nfs/dbraw/zinc/35/94/18/1123359418.db2.gz JBOLNZSRFBMTPQ-RXMQYKEDSA-N 0 1 272.295 3.556 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](C2CC2)C1 ZINC000367026764 1123361035 /nfs/dbraw/zinc/36/10/35/1123361035.db2.gz CLKZRSGPXJLCBI-DGCLKSJQSA-N 0 1 262.397 3.765 20 0 CHADMN Clc1cccc(Cl)c1-c1noc([C@H]2CCCCN2)n1 ZINC000335348137 1123361738 /nfs/dbraw/zinc/36/17/38/1123361738.db2.gz XBVRAQHZHVNYDS-SNVBAGLBSA-N 0 1 298.173 3.858 20 0 CHADMN CCO[C@@H]1C[C@H](NCc2nccn2C(C)C)C1(CC)CC ZINC000191065708 1123363133 /nfs/dbraw/zinc/36/31/33/1123363133.db2.gz YUPYJANVXUIUAZ-LSDHHAIUSA-N 0 1 293.455 3.537 20 0 CHADMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(-c2ccc3[nH]ccc3c2)no1 ZINC000443220670 1123365594 /nfs/dbraw/zinc/36/55/94/1123365594.db2.gz WXKDXJWSZKKTFS-TXEJJXNPSA-N 0 1 296.374 3.591 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1nc(-c2ccc3[nH]ccc3c2)no1 ZINC000443220670 1123365597 /nfs/dbraw/zinc/36/55/97/1123365597.db2.gz WXKDXJWSZKKTFS-TXEJJXNPSA-N 0 1 296.374 3.591 20 0 CHADMN CCCCCC[N@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000851707687 1123372539 /nfs/dbraw/zinc/37/25/39/1123372539.db2.gz IJHCNMGUEMOORF-HZPDHXFCSA-N 0 1 281.440 3.922 20 0 CHADMN CO[C@@H](CN1CCC[C@@H]1c1cc(C)on1)C1CCCCC1 ZINC000851717294 1123374500 /nfs/dbraw/zinc/37/45/00/1123374500.db2.gz VWUKKMPQMFSEDO-SJORKVTESA-N 0 1 292.423 3.715 20 0 CHADMN CCCCN(Cc1ccccc1Cl)C[C@H]1CCC(=O)O1 ZINC000851747741 1123377747 /nfs/dbraw/zinc/37/77/47/1123377747.db2.gz WHOWHRCWFFRJNS-CQSZACIVSA-N 0 1 295.810 3.648 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2cccc(F)n2)C1 ZINC000851794612 1123380886 /nfs/dbraw/zinc/38/08/86/1123380886.db2.gz URBDHEAMUCRGQC-HNNXBMFYSA-N 0 1 250.361 3.623 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](Cc1cccc(F)n1)C1CC1 ZINC000851829596 1123382841 /nfs/dbraw/zinc/38/28/41/1123382841.db2.gz YMJRIQCQAZLOJW-CYBMUJFWSA-N 0 1 270.351 3.946 20 0 CHADMN C[C@H](c1ccccc1)N(Cc1cccc(F)n1)C1CC1 ZINC000851829596 1123382846 /nfs/dbraw/zinc/38/28/46/1123382846.db2.gz YMJRIQCQAZLOJW-CYBMUJFWSA-N 0 1 270.351 3.946 20 0 CHADMN Clc1cnn(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000110268459 1123385719 /nfs/dbraw/zinc/38/57/19/1123385719.db2.gz BTEMPVPZFHTXRC-MRXNPFEDSA-N 0 1 289.810 3.591 20 0 CHADMN Clc1cnn(CN2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000110268459 1123385724 /nfs/dbraw/zinc/38/57/24/1123385724.db2.gz BTEMPVPZFHTXRC-MRXNPFEDSA-N 0 1 289.810 3.591 20 0 CHADMN CC[C@@](C)(NCc1cc(C)nc(C)n1)c1ccccc1 ZINC000851902641 1123387696 /nfs/dbraw/zinc/38/76/96/1123387696.db2.gz RGJZXUVGWIIFGP-QGZVFWFLSA-N 0 1 269.392 3.508 20 0 CHADMN CC[C@](C)(NCc1cc(OC)ns1)c1ccccc1 ZINC000851900874 1123387809 /nfs/dbraw/zinc/38/78/09/1123387809.db2.gz IFRFLRUFIGUBKI-HNNXBMFYSA-N 0 1 276.405 3.567 20 0 CHADMN CC[C@@](C)(NCc1cccc(F)n1)c1ccccc1 ZINC000851902400 1123388165 /nfs/dbraw/zinc/38/81/65/1123388165.db2.gz QDPVQFIDCFEBGS-MRXNPFEDSA-N 0 1 258.340 3.636 20 0 CHADMN COc1ccc(CN[C@H](C)c2csc(Cl)c2)cn1 ZINC000191150016 1123390014 /nfs/dbraw/zinc/39/00/14/1123390014.db2.gz AMQBWHFUAMKBQB-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN COc1cc(C[N@H+]2CCCC[C@H]2c2ccccc2)sn1 ZINC000851938087 1123390009 /nfs/dbraw/zinc/39/00/09/1123390009.db2.gz JANRMHGVIWZEJE-HNNXBMFYSA-N 0 1 288.416 3.879 20 0 CHADMN COc1cc(CN2CCCC[C@H]2c2ccccc2)sn1 ZINC000851938087 1123390012 /nfs/dbraw/zinc/39/00/12/1123390012.db2.gz JANRMHGVIWZEJE-HNNXBMFYSA-N 0 1 288.416 3.879 20 0 CHADMN CC[C@H](c1cccc(OC)c1)N(C)Cc1cccc(F)n1 ZINC000852052897 1123394408 /nfs/dbraw/zinc/39/44/08/1123394408.db2.gz VKJOZYVDKPPKDH-MRXNPFEDSA-N 0 1 288.366 3.812 20 0 CHADMN COc1cc(CN2C[C@H](C)C[C@H]2c2ccccc2)sn1 ZINC000852046129 1123394528 /nfs/dbraw/zinc/39/45/28/1123394528.db2.gz QPXUFXGGLKXFAY-DOMZBBRYSA-N 0 1 288.416 3.735 20 0 CHADMN Cc1nc(CN(C)C[C@H]2C(C)=CCC[C@H]2C)cs1 ZINC000443406424 1123394684 /nfs/dbraw/zinc/39/46/84/1123394684.db2.gz MDYFFAYNRVXKDA-DOMZBBRYSA-N 0 1 264.438 3.876 20 0 CHADMN CN(Cc1cccc(F)n1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000852071448 1123395384 /nfs/dbraw/zinc/39/53/84/1123395384.db2.gz LURFQRWJTVSTLR-NEPJUHHUSA-N 0 1 290.304 3.774 20 0 CHADMN Fc1cccc(CN2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000852089910 1123397314 /nfs/dbraw/zinc/39/73/14/1123397314.db2.gz XSDBHAACQIIFOB-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN CCc1c(=O)n(-c2cccc3ncccc32)[nH]c1C(C)C ZINC000634591238 1129119096 /nfs/dbraw/zinc/11/90/96/1129119096.db2.gz WSZCFFMSLJKYQL-GFCCVEGCSA-N 0 1 281.359 3.620 20 0 CHADMN ClC(Cl)=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000852193182 1123398939 /nfs/dbraw/zinc/39/89/39/1123398939.db2.gz YHUCZQVKRKHPCM-ZDUSSCGKSA-N 0 1 290.234 3.587 20 0 CHADMN ClC(Cl)=CCN1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000852193182 1123398943 /nfs/dbraw/zinc/39/89/43/1123398943.db2.gz YHUCZQVKRKHPCM-ZDUSSCGKSA-N 0 1 290.234 3.587 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N(CC)C2CCCC2)o1 ZINC000053153238 1123401010 /nfs/dbraw/zinc/40/10/10/1123401010.db2.gz ULJSWGKSOIKCKX-UHFFFAOYSA-N 0 1 292.423 3.526 20 0 CHADMN CCn1nc(C)c(CN2CCC[C@H]2c2c(C)cccc2C)n1 ZINC000852312728 1123402394 /nfs/dbraw/zinc/40/23/94/1123402394.db2.gz RKSIIJRLSNELMO-KRWDZBQOSA-N 0 1 298.434 3.560 20 0 CHADMN CC(C)CCOc1ccc(NCc2cnc[nH]2)c(F)c1 ZINC000895190399 1123402628 /nfs/dbraw/zinc/40/26/28/1123402628.db2.gz NYDKFHXGDZQJIE-UHFFFAOYSA-N 0 1 277.343 3.586 20 0 CHADMN CC[C@@H](C)c1cc(=O)n(Cc2ccc(C(F)(F)F)cc2)[nH]1 ZINC000634591087 1129119455 /nfs/dbraw/zinc/11/94/55/1129119455.db2.gz SKPVLIKWEMDZAB-SNVBAGLBSA-N 0 1 298.308 3.840 20 0 CHADMN C[C@H]1c2ccccc2C[C@H]1NC/C(Cl)=C/Cl ZINC000852467962 1123405360 /nfs/dbraw/zinc/40/53/60/1123405360.db2.gz JBOURLWULBNIRU-ACADZZMGSA-N 0 1 256.176 3.623 20 0 CHADMN C[C@H](CC(C)(C)c1ccccc1)N[C@H](C)c1csnn1 ZINC000398432748 1123405838 /nfs/dbraw/zinc/40/58/38/1123405838.db2.gz ULWUUUFQMKEQIA-CHWSQXEVSA-N 0 1 289.448 3.945 20 0 CHADMN Clc1cccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)n1 ZINC000852598236 1123410781 /nfs/dbraw/zinc/41/07/81/1123410781.db2.gz VJJWTTYLJGWJTM-ZFWWWQNUSA-N 0 1 294.826 3.516 20 0 CHADMN CCC1=NN([C@H](C)c2ccc(Cl)cc2)C(=O)[C@@H]1C ZINC000634601560 1129119854 /nfs/dbraw/zinc/11/98/54/1129119854.db2.gz QBHNTFWRGMJLQZ-NXEZZACHSA-N 0 1 264.756 3.645 20 0 CHADMN CCc1[nH]n([C@H](C)c2ccc(Cl)cc2)c(=O)c1C ZINC000634601560 1129119855 /nfs/dbraw/zinc/11/98/55/1129119855.db2.gz QBHNTFWRGMJLQZ-NXEZZACHSA-N 0 1 264.756 3.645 20 0 CHADMN CC(C)n1nccc1CN[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000852781841 1123414751 /nfs/dbraw/zinc/41/47/51/1123414751.db2.gz ROBCBIPLZLHJSI-AWEZNQCLSA-N 0 1 299.418 3.640 20 0 CHADMN Cc1ccc(N2CCN([C@@H](C)c3ccncc3)CC2)c(C)c1 ZINC000852743031 1123415237 /nfs/dbraw/zinc/41/52/37/1123415237.db2.gz RFHGQRAAHIODKP-KRWDZBQOSA-N 0 1 295.430 3.582 20 0 CHADMN CC[C@@H](NCc1cc(C)nc(Cl)c1)c1c(C)noc1C ZINC000797602182 1123427966 /nfs/dbraw/zinc/42/79/66/1123427966.db2.gz NGHSCJIGTCVODH-CYBMUJFWSA-N 0 1 293.798 3.889 20 0 CHADMN COc1cc(C)cc(CNCc2cc(C)nc(Cl)c2)c1 ZINC000797602285 1123428011 /nfs/dbraw/zinc/42/80/11/1123428011.db2.gz PKPDZFUWSCICLM-UHFFFAOYSA-N 0 1 290.794 3.650 20 0 CHADMN CCN(C)[C@H](C(=O)N(C)c1ccc(C)cc1)c1ccccc1 ZINC000111223990 1123432360 /nfs/dbraw/zinc/43/23/60/1123432360.db2.gz KTMPYICOTSXBBP-SFHVURJKSA-N 0 1 296.414 3.651 20 0 CHADMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cc2cc(F)ccc2o1 ZINC000665350417 1123435245 /nfs/dbraw/zinc/43/52/45/1123435245.db2.gz RCIAIKVZPGOAOY-UHFFFAOYSA-N 0 1 293.338 3.505 20 0 CHADMN Oc1ccc2c(c1)[C@H](NCc1cccc3c1NCCC3)CC2 ZINC000895279525 1123438538 /nfs/dbraw/zinc/43/85/38/1123438538.db2.gz VGSDHBQLYQRBGG-GOSISDBHSA-N 0 1 294.398 3.527 20 0 CHADMN C[C@H](N(C)Cc1cc(C(C)(C)C)on1)C1(C)CC1 ZINC000429680481 1123439503 /nfs/dbraw/zinc/43/95/03/1123439503.db2.gz DXYHVSGEMBJXEF-NSHDSACASA-N 0 1 250.386 3.593 20 0 CHADMN Cc1cccc(C)c1[C@H]1CCCN1CN1CCSC1=O ZINC000853524006 1123443235 /nfs/dbraw/zinc/44/32/35/1123443235.db2.gz VDPUNKLOPBXPDL-CQSZACIVSA-N 0 1 290.432 3.567 20 0 CHADMN CCCCc1cc(=O)n([C@H]2CCc3c2cccc3F)[nH]1 ZINC000634632618 1129122301 /nfs/dbraw/zinc/12/23/01/1129122301.db2.gz VMAFILMXAGLMKY-HNNXBMFYSA-N 0 1 274.339 3.592 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cn1ncc(Cl)c1C1CC1 ZINC000853606823 1123444173 /nfs/dbraw/zinc/44/41/73/1123444173.db2.gz UAYOHDQMKPYLMW-VGPLMAKISA-N 0 1 279.815 3.634 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2ccc(F)cc21)c1ccncc1 ZINC000335843761 1123446030 /nfs/dbraw/zinc/44/60/30/1123446030.db2.gz HRTFREXVXVTMBB-MLGOLLRUSA-N 0 1 286.350 3.785 20 0 CHADMN CC1(c2cc(=O)n(Cc3cc(Cl)ccc3Cl)[nH]2)CC1 ZINC000634627159 1129122483 /nfs/dbraw/zinc/12/24/83/1129122483.db2.gz WPGJUXWCVYJCTM-UHFFFAOYSA-N 0 1 297.185 3.882 20 0 CHADMN CCCN(CC)Cc1coc(-c2c(F)cccc2F)n1 ZINC000443620356 1123448704 /nfs/dbraw/zinc/44/87/04/1123448704.db2.gz FRYADDWWJACJSS-UHFFFAOYSA-N 0 1 280.318 3.852 20 0 CHADMN Cc1nc(CN([C@H](C)C2CC2)C2CC2)c(C)s1 ZINC000443627830 1123449654 /nfs/dbraw/zinc/44/96/54/1123449654.db2.gz LCNDSTUPPBDVFL-SECBINFHSA-N 0 1 250.411 3.523 20 0 CHADMN C[C@H]1CCN(Cc2ncc(C(C)(C)C)o2)C[C@H](C)C1 ZINC000443640954 1123454923 /nfs/dbraw/zinc/45/49/23/1123454923.db2.gz KSPWBQFTORARGM-QWHCGFSZSA-N 0 1 264.413 3.840 20 0 CHADMN CC(C)c1cccc(COC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000853904790 1123461994 /nfs/dbraw/zinc/46/19/94/1123461994.db2.gz XZCLAIGCZKNWHV-HNNXBMFYSA-N 0 1 298.386 3.696 20 0 CHADMN C[C@H]1CCN(CC(=O)Nc2ccccc2Cl)C[C@H](C)C1 ZINC000443656222 1123463685 /nfs/dbraw/zinc/46/36/85/1123463685.db2.gz RIMPCKOUUJEIBD-QWHCGFSZSA-N 0 1 294.826 3.647 20 0 CHADMN CSCCN(C)Cc1ccc(Sc2ccccn2)o1 ZINC000428288686 1123466410 /nfs/dbraw/zinc/46/64/10/1123466410.db2.gz YNUWFWGKKMMROQ-UHFFFAOYSA-N 0 1 294.445 3.621 20 0 CHADMN CC(C)[C@H](N)c1noc([C@H]2CC[C@H](C3CCC3)CC2)n1 ZINC000854133365 1123470320 /nfs/dbraw/zinc/47/03/20/1123470320.db2.gz ZOIXUZJIRCROTR-IHRRRGAJSA-N 0 1 277.412 3.799 20 0 CHADMN CC1(CC(=O)Nc2cccc(-c3cn[nH]n3)c2)CCCCC1 ZINC000443677777 1123470710 /nfs/dbraw/zinc/47/07/10/1123470710.db2.gz UJWAPMNNYYSQPN-UHFFFAOYSA-N 0 1 298.390 3.771 20 0 CHADMN CC[C@H](C)Oc1ccc(-c2noc([C@H](CC)NC)n2)cc1 ZINC000854141610 1123471343 /nfs/dbraw/zinc/47/13/43/1123471343.db2.gz IDCDNGPYRRRVJO-FZMZJTMJSA-N 0 1 289.379 3.584 20 0 CHADMN CC[C@@H](NC)c1nc(-c2cccc(C(C)(F)F)c2)no1 ZINC000854160004 1123471869 /nfs/dbraw/zinc/47/18/69/1123471869.db2.gz DYDSZZYYHFKQKF-LLVKDONJSA-N 0 1 281.306 3.519 20 0 CHADMN CC[C@H](C)C(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000111988949 1123472829 /nfs/dbraw/zinc/47/28/29/1123472829.db2.gz METGLFZIXQYMQD-DTWKUNHWSA-N 0 1 280.755 3.867 20 0 CHADMN CN(C)Cc1cc(-c2ccc(C(C)(C)O)cc2)ccc1F ZINC000854197558 1123475525 /nfs/dbraw/zinc/47/55/25/1123475525.db2.gz NSMWHYITJJTIND-UHFFFAOYSA-N 0 1 287.378 3.782 20 0 CHADMN CN(C)Cc1cc(-c2ccc3c(c2)CC[C@H]3O)ccc1F ZINC000854197641 1123475658 /nfs/dbraw/zinc/47/56/58/1123475658.db2.gz QHXSDFRNNGFJRP-GOSISDBHSA-N 0 1 285.362 3.534 20 0 CHADMN FC[C@H]1CCN(Cc2ccc(CSC(F)F)o2)C1 ZINC000895574969 1123493305 /nfs/dbraw/zinc/49/33/05/1123493305.db2.gz QZKRKBILONWAHK-SECBINFHSA-N 0 1 279.327 3.527 20 0 CHADMN C/C=C(\C)C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000854819470 1123495621 /nfs/dbraw/zinc/49/56/21/1123495621.db2.gz XJTLVKNFQUTSHQ-NAZIUFLLSA-N 0 1 291.782 3.702 20 0 CHADMN Cn1c(CN2CCC3(CCCCO3)CC2)cc2ccccc21 ZINC000895656787 1123501137 /nfs/dbraw/zinc/50/11/37/1123501137.db2.gz UYALHWZHUAHXJF-UHFFFAOYSA-N 0 1 298.430 3.713 20 0 CHADMN F[C@@H](c1ccc(NCc2cnc[nH]2)cc1)C(F)(F)F ZINC000895680371 1123505152 /nfs/dbraw/zinc/50/51/52/1123505152.db2.gz KXQDVFDRQQPQHK-NSHDSACASA-N 0 1 273.233 3.595 20 0 CHADMN CCCCCC[C@](C)(CC)C(=O)N(C)Cc1cnc[nH]1 ZINC000855134452 1123507042 /nfs/dbraw/zinc/50/70/42/1123507042.db2.gz OTTGHBNOOPAQRM-INIZCTEOSA-N 0 1 279.428 3.755 20 0 CHADMN COc1ccc(C)cc1-c1nc2ccc(C)cc2[nH]1 ZINC000052943778 1123509022 /nfs/dbraw/zinc/50/90/22/1123509022.db2.gz GWPUNTZZZQOZPB-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN C[C@H](Cc1ccccc1Cl)N[C@@H](C)c1ncco1 ZINC000895763279 1123511675 /nfs/dbraw/zinc/51/16/75/1123511675.db2.gz BWXBJXBYAKNEHD-MNOVXSKESA-N 0 1 264.756 3.610 20 0 CHADMN CCC[C@H](Cc1ccccc1)N[C@@H](C)c1ncco1 ZINC000895764037 1123512735 /nfs/dbraw/zinc/51/27/35/1123512735.db2.gz DVSDLIAQYFRPLW-DZGCQCFKSA-N 0 1 258.365 3.737 20 0 CHADMN CC[C@H](C)N(CC)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000050813070 1123513601 /nfs/dbraw/zinc/51/36/01/1123513601.db2.gz SINSKBDSMMCQJA-VIFPVBQESA-N 0 1 292.452 3.511 20 0 CHADMN CCOc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1OC ZINC000261367053 1123515186 /nfs/dbraw/zinc/51/51/86/1123515186.db2.gz FEVXFHXCOMWTAD-UHFFFAOYSA-N 0 1 286.306 3.776 20 0 CHADMN Cc1nc(C(C)C)oc1CN[C@H](C)c1ccccc1 ZINC000428294774 1123519733 /nfs/dbraw/zinc/51/97/33/1123519733.db2.gz HOMATTASCMECMT-GFCCVEGCSA-N 0 1 258.365 3.957 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc3cc[nH]c3c2)o1 ZINC000895870353 1123523236 /nfs/dbraw/zinc/52/32/36/1123523236.db2.gz WYQPSLSRUDEBNB-UHFFFAOYSA-N 0 1 284.359 3.792 20 0 CHADMN C[C@@H]1CC[C@H](CC(=O)Nc2cc(F)cc(Cl)c2O)C1 ZINC000474444870 1123530689 /nfs/dbraw/zinc/53/06/89/1123530689.db2.gz IYPSMGBIUBZHOL-BDAKNGLRSA-N 0 1 285.746 3.950 20 0 CHADMN CC(C)[C@H](C)CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000474444687 1123530695 /nfs/dbraw/zinc/53/06/95/1123530695.db2.gz HWHRLVAWWRBDHU-MRVPVSSYSA-N 0 1 273.735 3.805 20 0 CHADMN Cc1c[nH]nc1CN[C@@H]1CCc2cccc3cccc1c32 ZINC000895936724 1123532945 /nfs/dbraw/zinc/53/29/45/1123532945.db2.gz VKMQAOKANLDFGI-MRXNPFEDSA-N 0 1 277.371 3.648 20 0 CHADMN CCC[C@H](C)CCNCc1nnc(C(C)C)s1 ZINC000895998160 1123539206 /nfs/dbraw/zinc/53/92/06/1123539206.db2.gz UOJNATJHUCQSRF-NSHDSACASA-N 0 1 255.431 3.577 20 0 CHADMN COc1ccccc1C(C)(C)NCc1ccc(Cl)nc1 ZINC000173323531 1123546431 /nfs/dbraw/zinc/54/64/31/1123546431.db2.gz KUMGTZMWDZACRW-UHFFFAOYSA-N 0 1 290.794 3.769 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)CCc1nccs1 ZINC000157497879 1129129021 /nfs/dbraw/zinc/12/90/21/1129129021.db2.gz WZNQKMRQLAZBGF-SNVBAGLBSA-N 0 1 282.359 3.657 20 0 CHADMN COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2ccc(C)cn2)c1 ZINC000544367012 1123553447 /nfs/dbraw/zinc/55/34/47/1123553447.db2.gz HLYXKVIKCYDIJM-DNVCBOLYSA-N 0 1 296.414 3.982 20 0 CHADMN CC(C)(NCc1cncc(Cl)c1)c1ccc(F)cc1 ZINC000856729653 1123565739 /nfs/dbraw/zinc/56/57/39/1123565739.db2.gz OXWVXTLACDELOZ-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2cn(C)nc2Cl)C1 ZINC000857045939 1123581824 /nfs/dbraw/zinc/58/18/24/1123581824.db2.gz AZEMHGYNJUHGOT-DOMZBBRYSA-N 0 1 289.810 3.657 20 0 CHADMN CC(C)CN(Cc1cccc(Cl)c1)Cc1cncnc1 ZINC000857068486 1123584096 /nfs/dbraw/zinc/58/40/96/1123584096.db2.gz WHYQWNWFPBWQGF-UHFFFAOYSA-N 0 1 289.810 3.788 20 0 CHADMN Cn1ccc([C@H]2CCCN(Cc3cc(Cl)cs3)C2)n1 ZINC000896488696 1123588125 /nfs/dbraw/zinc/58/81/25/1123588125.db2.gz JZXNNHKZUAEHBY-NSHDSACASA-N 0 1 295.839 3.515 20 0 CHADMN CC(C)(C)c1ccc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])cc1 ZINC000080991985 1129131465 /nfs/dbraw/zinc/13/14/65/1129131465.db2.gz WQTKUPPRAXYEKZ-INIZCTEOSA-N 0 1 289.419 3.813 20 0 CHADMN Cn1ccc([C@@H]2CCCN(Cc3cscc3Cl)C2)n1 ZINC000896493092 1123589693 /nfs/dbraw/zinc/58/96/93/1123589693.db2.gz LNIAVWACCAQMIY-LLVKDONJSA-N 0 1 295.839 3.515 20 0 CHADMN C[C@H](NCC1CC(C)C1)c1nc(-c2cccc(F)c2)no1 ZINC000857247668 1123593501 /nfs/dbraw/zinc/59/35/01/1123593501.db2.gz ZRVMNIGDAJQJPB-CXQJBGSLSA-N 0 1 289.354 3.572 20 0 CHADMN Cc1cnc(CN2CCC3(CCSCC3)CC2)s1 ZINC000639375205 1123596367 /nfs/dbraw/zinc/59/63/67/1123596367.db2.gz RIFWANINEFBIEI-UHFFFAOYSA-N 0 1 282.478 3.561 20 0 CHADMN Oc1cc(Cl)cc(CN[C@@H](c2ccccn2)C2CC2)c1 ZINC000896608684 1123605380 /nfs/dbraw/zinc/60/53/80/1123605380.db2.gz IGTSJJSXMWKWDD-MRXNPFEDSA-N 0 1 288.778 3.682 20 0 CHADMN CCn1nc(C)c(CN(C)[C@@H](C)c2cccs2)c1C ZINC000157821234 1129133311 /nfs/dbraw/zinc/13/33/11/1129133311.db2.gz CRCDFCYDXIBCMX-ZDUSSCGKSA-N 0 1 277.437 3.774 20 0 CHADMN CCOc1cccc(CN(C)[C@@H](C)c2cccs2)n1 ZINC000157830105 1129133532 /nfs/dbraw/zinc/13/35/32/1129133532.db2.gz WEGXCOAMTSTMNP-LBPRGKRZSA-N 0 1 276.405 3.735 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1nnc(C(C)(C)C)o1 ZINC000115551798 1123618214 /nfs/dbraw/zinc/61/82/14/1123618214.db2.gz WQBRURADIPRJCC-UKRRQHHQSA-N 0 1 299.418 3.745 20 0 CHADMN Cc1ncc(CN[C@H](c2ncccc2C)C(C)C)s1 ZINC000115622659 1123620333 /nfs/dbraw/zinc/62/03/33/1123620333.db2.gz KYZXSJIPZDOKMD-AWEZNQCLSA-N 0 1 275.421 3.642 20 0 CHADMN CO[C@H](C)c1cccc(N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000857862543 1123623127 /nfs/dbraw/zinc/62/31/27/1123623127.db2.gz GBRQLSRQDBLRFY-IAQYHMDHSA-N 0 1 271.364 3.607 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCO[C@@H]2CCCC[C@H]2C)on1 ZINC000339008695 1123624260 /nfs/dbraw/zinc/62/42/60/1123624260.db2.gz LPUOEUVXKFFHIE-VNQPRFMTSA-N 0 1 292.423 3.715 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1cnn(C)c1C1CC1 ZINC000896803507 1123626135 /nfs/dbraw/zinc/62/61/35/1123626135.db2.gz IWPQBVNQQNQVOG-LBPRGKRZSA-N 0 1 287.382 3.596 20 0 CHADMN CCc1ncc(CN2CC3(CCCC3)OC(C)(C)C2)s1 ZINC000443786751 1123628615 /nfs/dbraw/zinc/62/86/15/1123628615.db2.gz INXDVLIJBCXIFB-UHFFFAOYSA-N 0 1 294.464 3.629 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)NCc1ccnc(F)c1 ZINC000858099110 1123631136 /nfs/dbraw/zinc/63/11/36/1123631136.db2.gz JAWDDQQNBUSKGV-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN CO[C@H](CN[C@H](C)c1cc(C)c(F)c(C)c1)C(F)(F)F ZINC000777013809 1123640702 /nfs/dbraw/zinc/64/07/02/1123640702.db2.gz XLXOSFMUTUNREE-ZYHUDNBSSA-N 0 1 293.304 3.670 20 0 CHADMN CO[C@@H](CN[C@H](C)c1cc(C)c(F)c(C)c1)C(F)(F)F ZINC000777013808 1123641084 /nfs/dbraw/zinc/64/10/84/1123641084.db2.gz XLXOSFMUTUNREE-PWSUYJOCSA-N 0 1 293.304 3.670 20 0 CHADMN Cc1cccc([C@H](NCc2ncc(Cl)n2C)C(C)C)c1 ZINC000858286384 1123641776 /nfs/dbraw/zinc/64/17/76/1123641776.db2.gz AHISCQIRZCGXGD-MRXNPFEDSA-N 0 1 291.826 3.869 20 0 CHADMN CC[C@]1(C)CN(C/C(C)=C\c2ccccc2)CCO1 ZINC000443848931 1123643719 /nfs/dbraw/zinc/64/37/19/1123643719.db2.gz BNOGRTPSNZXVCA-MLRPBERTSA-N 0 1 259.393 3.591 20 0 CHADMN COc1ccccc1/C=C\CN[C@H](C)c1ccns1 ZINC000858317041 1123643878 /nfs/dbraw/zinc/64/38/78/1123643878.db2.gz FJKYGRIKTFTLLJ-SMYYYNMVSA-N 0 1 274.389 3.516 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccns2)cc2cccnc12 ZINC000858316722 1123644160 /nfs/dbraw/zinc/64/41/60/1123644160.db2.gz JJAWNMYHOOMTER-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN CC[C@@]1(C)CN(Cc2ccc3nc(C)ccc3c2)CCO1 ZINC000443865063 1123645298 /nfs/dbraw/zinc/64/52/98/1123645298.db2.gz WBQZHTWWMVBOQW-SFHVURJKSA-N 0 1 284.403 3.544 20 0 CHADMN CCC[C@@H](NCc1ccn(C)n1)c1cc(C)sc1C ZINC000858384005 1123649197 /nfs/dbraw/zinc/64/91/97/1123649197.db2.gz AZTZNTDSSMZODK-OAHLLOKOSA-N 0 1 277.437 3.729 20 0 CHADMN CCc1ccc(CN2CC[C@@H]2c2ccccc2)nc1 ZINC000339011668 1123657003 /nfs/dbraw/zinc/65/70/03/1123657003.db2.gz QZUSCPVGUHJMSF-QGZVFWFLSA-N 0 1 252.361 3.591 20 0 CHADMN CCCOc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1C ZINC000858567342 1123662119 /nfs/dbraw/zinc/66/21/19/1123662119.db2.gz BNOMUDGZBABMLU-HNNXBMFYSA-N 0 1 285.391 3.996 20 0 CHADMN COc1ccc2c(c1F)CC[C@H]2N[C@H](C)c1ccns1 ZINC000858575440 1123663647 /nfs/dbraw/zinc/66/36/47/1123663647.db2.gz AKZLWIPKOBRQCN-BXKDBHETSA-N 0 1 292.379 3.629 20 0 CHADMN CCC[C@@H](C)CC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000346155967 1123667910 /nfs/dbraw/zinc/66/79/10/1123667910.db2.gz CREUBKFZIBYSIV-CABCVRRESA-N 0 1 294.439 3.605 20 0 CHADMN CCc1cnc(C[N@H+]2CCC[C@H]2CC(C)C)s1 ZINC000346185763 1123668057 /nfs/dbraw/zinc/66/80/57/1123668057.db2.gz VTJQZFYWBBXOFS-LBPRGKRZSA-N 0 1 252.427 3.716 20 0 CHADMN CC[C@H]1CCC[C@H](CN(C)Cc2nccs2)C1 ZINC000346188135 1123668992 /nfs/dbraw/zinc/66/89/92/1123668992.db2.gz UUVIONQXKUUMHQ-STQMWFEESA-N 0 1 252.427 3.791 20 0 CHADMN CCS[C@H]1CC[C@H](N(C)Cc2ncc(CC)s2)C1 ZINC000346174108 1123670045 /nfs/dbraw/zinc/67/00/45/1123670045.db2.gz NMFMLWUDCLHZJY-AAEUAGOBSA-N 0 1 284.494 3.812 20 0 CHADMN Cc1ccccc1C1CCN(Cc2ccc(F)cn2)CC1 ZINC000346256668 1123676430 /nfs/dbraw/zinc/67/64/30/1123676430.db2.gz YMEJUKSTXADVAL-UHFFFAOYSA-N 0 1 284.378 3.909 20 0 CHADMN C(=C/c1ccccc1)\COc1ccccc1-c1nnc[nH]1 ZINC000158091249 1129138327 /nfs/dbraw/zinc/13/83/27/1129138327.db2.gz SWGKMPMZQAXXAS-RMKNXTFCSA-N 0 1 277.327 3.564 20 0 CHADMN CC(C)[C@@H](NCc1cc(Cl)n(C)n1)c1ccccc1 ZINC000859060981 1123681839 /nfs/dbraw/zinc/68/18/39/1123681839.db2.gz FTIUWBGXEJLJGJ-OAHLLOKOSA-N 0 1 277.799 3.560 20 0 CHADMN Fc1ccc(CN(C2CC2)[C@H]2CCc3ccccc32)nc1 ZINC000346381278 1123682561 /nfs/dbraw/zinc/68/25/61/1123682561.db2.gz IBKXMFHCUBPLOO-SFHVURJKSA-N 0 1 282.362 3.873 20 0 CHADMN CCN(Cc1ccc(Cl)cc1)Cc1ccnc(F)c1 ZINC000859096389 1123684265 /nfs/dbraw/zinc/68/42/65/1123684265.db2.gz CQNYXZZVQJWJPO-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN Cc1cnccc1CN1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000859135685 1123685851 /nfs/dbraw/zinc/68/58/51/1123685851.db2.gz NQOPFDGKCWNPSL-GJYPPUQNSA-N 0 1 296.414 3.741 20 0 CHADMN Fc1cccc(C2CCN(Cc3ccnc(F)c3)CC2)c1 ZINC000859155402 1123686711 /nfs/dbraw/zinc/68/67/11/1123686711.db2.gz FKOWXNWKTPCZIE-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN C[C@@H](c1ccccc1)N(Cc1ccnc(F)c1)C1CC1 ZINC000859176329 1123688738 /nfs/dbraw/zinc/68/87/38/1123688738.db2.gz STVPGLXYZUAJRD-ZDUSSCGKSA-N 0 1 270.351 3.946 20 0 CHADMN CO[C@@H](CN[C@H](C)c1csc(C(C)C)n1)C(C)C ZINC000346518658 1123691615 /nfs/dbraw/zinc/69/16/15/1123691615.db2.gz FZFCSZMDSKYOTL-YPMHNXCESA-N 0 1 270.442 3.588 20 0 CHADMN CCCN(Cc1ccnc(F)c1)[C@H]1CCCc2cccnc21 ZINC000859258139 1123693081 /nfs/dbraw/zinc/69/30/81/1123693081.db2.gz KNIHPJWCKISCBL-INIZCTEOSA-N 0 1 299.393 3.905 20 0 CHADMN CO[C@@H]1C[C@@H](N[C@@H](C)c2csc(C(C)C)n2)C1(C)C ZINC000346555147 1123695183 /nfs/dbraw/zinc/69/51/83/1123695183.db2.gz BXQLGMWCIVXEIJ-CYZMBNFOSA-N 0 1 282.453 3.731 20 0 CHADMN C[C@H]1CC=CC[C@@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000346581863 1123697887 /nfs/dbraw/zinc/69/78/87/1123697887.db2.gz KLKSVPIPHNDFCH-JQWIXIFHSA-N 0 1 280.331 3.683 20 0 CHADMN FC(F)(F)c1nc(Cl)ccc1CN(C1CC1)C1CC1 ZINC000859626335 1123704255 /nfs/dbraw/zinc/70/42/55/1123704255.db2.gz BVDCYSNOTOJODM-UHFFFAOYSA-N 0 1 290.716 3.881 20 0 CHADMN Fc1cccc(Cl)c1CNc1ccc2nc[nH]c2c1 ZINC000346684065 1123709216 /nfs/dbraw/zinc/70/92/16/1123709216.db2.gz OLMLUAUDNBZMKT-UHFFFAOYSA-N 0 1 275.714 3.968 20 0 CHADMN CC[N@@H+](CCC(C)(C)C(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000859784641 1123709645 /nfs/dbraw/zinc/70/96/45/1123709645.db2.gz KJXWQPBRURTLEI-LBPRGKRZSA-N 0 1 281.371 3.710 20 0 CHADMN COc1cccc(C2(NCc3cn(C(C)C)nc3C)CC2)c1 ZINC000281473020 1123710805 /nfs/dbraw/zinc/71/08/05/1123710805.db2.gz UYFSPGVLMXQLCM-UHFFFAOYSA-N 0 1 299.418 3.560 20 0 CHADMN Cc1nnc([C@@H](C)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)s1 ZINC000859929132 1123715483 /nfs/dbraw/zinc/71/54/83/1123715483.db2.gz VVMZNAWRJKWCTR-IPOQPSJVSA-N 0 1 299.443 3.643 20 0 CHADMN Cc1nccc(N2CCC(C(F)F)CC2)c1Cl ZINC000335968002 1123720322 /nfs/dbraw/zinc/72/03/22/1123720322.db2.gz BKHKGLQSXJDPJE-UHFFFAOYSA-N 0 1 260.715 3.525 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@H]1CCCc2occc21 ZINC000281544228 1123723699 /nfs/dbraw/zinc/72/36/99/1123723699.db2.gz ZMYHQVJSAUEYPA-HNNXBMFYSA-N 0 1 273.380 3.533 20 0 CHADMN Fc1cccc(C[C@@H]2CCCN2Cc2cncc(F)c2)c1 ZINC000346836543 1123725563 /nfs/dbraw/zinc/72/55/63/1123725563.db2.gz OCBNSAQLPMUCOT-KRWDZBQOSA-N 0 1 288.341 3.567 20 0 CHADMN CCC[N@@H+](Cc1ccccc1)Cc1cnccc1OC ZINC000346896374 1123730255 /nfs/dbraw/zinc/73/02/55/1123730255.db2.gz XDQXSNPOYIJIHG-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN CCCN(Cc1ccccc1)Cc1cnccc1OC ZINC000346896374 1123730258 /nfs/dbraw/zinc/73/02/58/1123730258.db2.gz XDQXSNPOYIJIHG-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN CCc1nc(C)c(CNC(C)(C)c2cccs2)o1 ZINC000428325708 1123730363 /nfs/dbraw/zinc/73/03/63/1123730363.db2.gz NRCHKKXJMVCLSQ-UHFFFAOYSA-N 0 1 264.394 3.632 20 0 CHADMN Cc1cc([C@@H](C)NCc2cncc(F)c2)ccc1F ZINC000346963560 1123735215 /nfs/dbraw/zinc/73/52/15/1123735215.db2.gz MZGXYBPQJARMBI-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN Fc1cncc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000346970531 1123738020 /nfs/dbraw/zinc/73/80/20/1123738020.db2.gz AAGDKCLYRJPOQK-GOSISDBHSA-N 0 1 282.362 3.873 20 0 CHADMN Fc1cncc(CN(C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000346970531 1123738022 /nfs/dbraw/zinc/73/80/22/1123738022.db2.gz AAGDKCLYRJPOQK-GOSISDBHSA-N 0 1 282.362 3.873 20 0 CHADMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2cncc(F)c2)C1(CC)CC ZINC000346982725 1123738593 /nfs/dbraw/zinc/73/85/93/1123738593.db2.gz NYQBZRUEDZDCMS-HOTGVXAUSA-N 0 1 294.414 3.636 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CC[C@@](C)(C(N)=O)C1 ZINC000336310938 1123759803 /nfs/dbraw/zinc/75/98/03/1123759803.db2.gz JIIDDQAZLCOSDZ-YMTOWFKASA-N 0 1 284.762 3.787 20 0 CHADMN CN(CCCCO)Cc1sc2ccccc2c1Cl ZINC000276369183 1129143620 /nfs/dbraw/zinc/14/36/20/1129143620.db2.gz ARRJCSAXEMMLEE-UHFFFAOYSA-N 0 1 283.824 3.759 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1nnc(-c2ccccc2Cl)o1 ZINC000336363650 1123765708 /nfs/dbraw/zinc/76/57/08/1123765708.db2.gz ZATQLRBCXZYHFA-WDEREUQCSA-N 0 1 291.782 3.620 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1nnc(-c2ccccc2Cl)o1 ZINC000336363650 1123765715 /nfs/dbraw/zinc/76/57/15/1123765715.db2.gz ZATQLRBCXZYHFA-WDEREUQCSA-N 0 1 291.782 3.620 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@@H](C)c1ccncc1F)CCC2 ZINC000336381637 1123767681 /nfs/dbraw/zinc/76/76/81/1123767681.db2.gz QJXWVSDUZJPPOX-TVQRCGJNSA-N 0 1 291.395 3.714 20 0 CHADMN Cc1cc(C(=O)CN2CCC[C@@H]2C(C)C)c(C)n1C1CC1 ZINC000444249331 1123774302 /nfs/dbraw/zinc/77/43/02/1123774302.db2.gz PVVJTZQQFDGLFA-QGZVFWFLSA-N 0 1 288.435 3.743 20 0 CHADMN CCCn1c(C)cc(C(=O)CN(CC)C2CCC2)c1C ZINC000444252522 1123775629 /nfs/dbraw/zinc/77/56/29/1123775629.db2.gz WYOCXFRJJUFUBT-UHFFFAOYSA-N 0 1 276.424 3.572 20 0 CHADMN Cc1nocc1CN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000648074772 1123777283 /nfs/dbraw/zinc/77/72/83/1123777283.db2.gz LASDTYBZKBKWTH-KRWDZBQOSA-N 0 1 280.371 3.876 20 0 CHADMN CC(C)c1csc(NC(=O)c2cc(Cl)ccc2O)n1 ZINC000042306619 1123782776 /nfs/dbraw/zinc/78/27/76/1123782776.db2.gz JJEAQSZYQJEENW-UHFFFAOYSA-N 0 1 296.779 3.878 20 0 CHADMN CSCC1CCN(Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000896934584 1123788301 /nfs/dbraw/zinc/78/83/01/1123788301.db2.gz QLSABLACUHWPOW-UHFFFAOYSA-N 0 1 299.871 3.516 20 0 CHADMN Cc1c(CN2CCC[C@@H]2c2ccc(O)cc2)ccnc1F ZINC000862232531 1123793817 /nfs/dbraw/zinc/79/38/17/1123793817.db2.gz BAGDUYGGEYRUDN-MRXNPFEDSA-N 0 1 286.350 3.572 20 0 CHADMN Cc1c(CN2CCC[C@H](Nc3ccccc3)C2)ccnc1F ZINC000862249354 1123795560 /nfs/dbraw/zinc/79/55/60/1123795560.db2.gz LYGHXGXCUUGPKO-KRWDZBQOSA-N 0 1 299.393 3.606 20 0 CHADMN CC[C@H](NCc1ccnc(F)c1C)c1ccccc1OC ZINC000862268956 1123796594 /nfs/dbraw/zinc/79/65/94/1123796594.db2.gz KOHHVJVWUPLDTL-HNNXBMFYSA-N 0 1 288.366 3.779 20 0 CHADMN C[C@H](NCc1ccsc1C(F)(F)F)c1ccc[nH]1 ZINC000862291821 1123798891 /nfs/dbraw/zinc/79/88/91/1123798891.db2.gz UAQKASGYOCQFHJ-QMMMGPOBSA-N 0 1 274.311 3.946 20 0 CHADMN CCc1ccc(CN(C)[C@@H](C)c2cccc(O)c2)nc1 ZINC000339035623 1123799212 /nfs/dbraw/zinc/79/92/12/1123799212.db2.gz KCYJEFOERBEVGG-ZDUSSCGKSA-N 0 1 270.376 3.543 20 0 CHADMN c1cn2c(n1)[C@H](N[C@H](c1ccccc1)C1CCC1)CCC2 ZINC000655708352 1123802559 /nfs/dbraw/zinc/80/25/59/1123802559.db2.gz HUSOFBZSVHEKPI-IAGOWNOFSA-N 0 1 281.403 3.849 20 0 CHADMN Cc1cccc(CC2CN(Cc3ccnc(F)c3C)C2)c1 ZINC000862389369 1123805850 /nfs/dbraw/zinc/80/58/50/1123805850.db2.gz RMLFFCRXCKZONW-UHFFFAOYSA-N 0 1 284.378 3.512 20 0 CHADMN Cc1c(F)nccc1CNCc1cnccc1C(C)(C)C ZINC000862395235 1123806368 /nfs/dbraw/zinc/80/63/68/1123806368.db2.gz QIDHUVGYKFUCSQ-UHFFFAOYSA-N 0 1 287.382 3.511 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(F)cc2)cc(Cl)n1 ZINC000320529938 1123814964 /nfs/dbraw/zinc/81/49/64/1123814964.db2.gz YTLTZJMVJCPOPH-UHFFFAOYSA-N 0 1 278.758 3.815 20 0 CHADMN C[C@H]1c2ccc(Cl)n2CCN1CCCC1CCOCC1 ZINC000794445072 1123828308 /nfs/dbraw/zinc/82/83/08/1123828308.db2.gz PEYLYTWBGQYWOU-ZDUSSCGKSA-N 0 1 296.842 3.725 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)cc1F ZINC000475274208 1123830003 /nfs/dbraw/zinc/83/00/03/1123830003.db2.gz BBLNXDOCDHJURY-JQWIXIFHSA-N 0 1 275.289 3.907 20 0 CHADMN Cc1cc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)ccc1F ZINC000475279996 1123833012 /nfs/dbraw/zinc/83/30/12/1123833012.db2.gz LXSDJOSBCPVBNZ-JQWIXIFHSA-N 0 1 275.289 3.907 20 0 CHADMN C/C(=C/c1ccccc1)CN1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000475287164 1123835436 /nfs/dbraw/zinc/83/54/36/1123835436.db2.gz UCXAEYOWWZXVFE-ZLTRSOCKSA-N 0 1 271.404 3.589 20 0 CHADMN CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000475313475 1123838702 /nfs/dbraw/zinc/83/87/02/1123838702.db2.gz OEGGAKUPDOVHDV-AAEUAGOBSA-N 0 1 271.364 3.718 20 0 CHADMN C[C@@H](N(C)CN1C[C@@H](c2ccccc2)OC1=O)C(C)(C)C ZINC000863256340 1123856549 /nfs/dbraw/zinc/85/65/49/1123856549.db2.gz PNJLXXQFUORDBE-HIFRSBDPSA-N 0 1 290.407 3.504 20 0 CHADMN Fc1ccc2c(c1)nccc2NC[C@]12C[C@H]1COC21CCC1 ZINC000897266039 1123863173 /nfs/dbraw/zinc/86/31/73/1123863173.db2.gz YQMQBDLFNIJDDH-YVEFUNNKSA-N 0 1 298.361 3.745 20 0 CHADMN Cc1ncc(CN(C)[C@@H](C)c2ccc(Cl)cc2)cn1 ZINC000339056817 1123871997 /nfs/dbraw/zinc/87/19/97/1123871997.db2.gz VOGGKATXPKPPJF-NSHDSACASA-N 0 1 275.783 3.631 20 0 CHADMN CCc1nc(C)c(CN[C@@]2(C)CCCc3ccccc32)o1 ZINC000428343715 1123889941 /nfs/dbraw/zinc/88/99/41/1123889941.db2.gz HNOWOUDBQOKCOE-SFHVURJKSA-N 0 1 284.403 3.887 20 0 CHADMN CO[C@H](CNc1ccnc2cc(F)ccc21)C(C)(C)C ZINC000301441922 1123900891 /nfs/dbraw/zinc/90/08/91/1123900891.db2.gz WHXYERPXAGWIGV-OAHLLOKOSA-N 0 1 276.355 3.847 20 0 CHADMN Fc1ccc(F)c2c1CCN(CCc1cccs1)C2 ZINC000084136377 1129152697 /nfs/dbraw/zinc/15/26/97/1129152697.db2.gz BWRQYOZPGJFZLN-UHFFFAOYSA-N 0 1 279.355 3.627 20 0 CHADMN CN(Cc1cncc(Cl)c1)[C@@H]1CCc2ccccc21 ZINC000621246914 1129152829 /nfs/dbraw/zinc/15/28/29/1129152829.db2.gz ZMTMIPZWVGKLSY-MRXNPFEDSA-N 0 1 272.779 3.854 20 0 CHADMN COc1cncc(CN2CC([C@H]3CCC[C@H](C)C3)C2)c1C ZINC000864055047 1123914864 /nfs/dbraw/zinc/91/48/64/1123914864.db2.gz HAIRPEPZUKDNFB-ZFWWWQNUSA-N 0 1 288.435 3.657 20 0 CHADMN CC(C)[C@H](NC/C(Cl)=C/Cl)[C@H](O)c1ccccc1 ZINC000794601768 1123921318 /nfs/dbraw/zinc/92/13/18/1123921318.db2.gz FEJLIIUQRFPPML-MIWOTCCTSA-N 0 1 288.218 3.653 20 0 CHADMN Cc1cc(NCCCOCC2CC2)c2cc(F)ccc2n1 ZINC000301653415 1123921607 /nfs/dbraw/zinc/92/16/07/1123921607.db2.gz HDGOONOLEDBXLC-UHFFFAOYSA-N 0 1 288.366 3.911 20 0 CHADMN COc1cccc(CN2CCC(C)CC2)c1OC(F)F ZINC000158858184 1129153786 /nfs/dbraw/zinc/15/37/86/1129153786.db2.gz QWXBNZDHOYMEAQ-UHFFFAOYSA-N 0 1 285.334 3.529 20 0 CHADMN CCC[C@H](O)CNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000301789280 1123933019 /nfs/dbraw/zinc/93/30/19/1123933019.db2.gz MLCFXPHBDUOFFD-NSHDSACASA-N 0 1 298.308 3.827 20 0 CHADMN CCc1cccc(NC(=O)c2c(C)n[nH]c2C(C)C)c1 ZINC000158900904 1129155106 /nfs/dbraw/zinc/15/51/06/1129155106.db2.gz TVEJVVXINISMHS-UHFFFAOYSA-N 0 1 271.364 3.656 20 0 CHADMN Cc1cc2ccccc2c(NC[C@@H]2CCCCO2)n1 ZINC000302079413 1123953765 /nfs/dbraw/zinc/95/37/65/1123953765.db2.gz XJJZCOATRWIDNI-AWEZNQCLSA-N 0 1 256.349 3.524 20 0 CHADMN COc1ccc(CN2CCCC[C@@H]2C)c(Cl)c1OC ZINC000158952204 1129156073 /nfs/dbraw/zinc/15/60/73/1129156073.db2.gz PISGTSSVFPJLRB-NSHDSACASA-N 0 1 283.799 3.732 20 0 CHADMN C[C@H]1CCc2ccccc2[C@H]1NCc1cccnc1F ZINC000794826727 1123962285 /nfs/dbraw/zinc/96/22/85/1123962285.db2.gz DVAYCOAULLKKCN-LRDDRELGSA-N 0 1 270.351 3.634 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](Nc1ncnc3[nH]cnc31)CC2 ZINC000302453577 1123968584 /nfs/dbraw/zinc/96/85/84/1123968584.db2.gz SNUIOPPGQYECDZ-CQSZACIVSA-N 0 1 293.374 3.576 20 0 CHADMN C[C@H](NCc1cccnc1F)c1cc2c(s1)CCC2 ZINC000794834521 1123969666 /nfs/dbraw/zinc/96/96/66/1123969666.db2.gz JIRNRYKTJDIGRJ-JTQLQIEISA-N 0 1 276.380 3.622 20 0 CHADMN CC1(C)CC[C@@H](CNc2ccnc3cc(F)ccc32)O1 ZINC000302483975 1123970010 /nfs/dbraw/zinc/97/00/10/1123970010.db2.gz YDPXSZWHTHJYDE-LBPRGKRZSA-N 0 1 274.339 3.743 20 0 CHADMN Cc1ccc([C@@H](NCc2cccnc2F)C2CC2)cc1 ZINC000794835664 1123970914 /nfs/dbraw/zinc/97/09/14/1123970914.db2.gz MSVUNMWRPMRKTP-MRXNPFEDSA-N 0 1 270.351 3.770 20 0 CHADMN CC[C@@]1(C)CN(c2cc(C)nc3ccc(F)cc32)CCO1 ZINC000302519136 1123971435 /nfs/dbraw/zinc/97/14/35/1123971435.db2.gz APHXZTHAGRRHPH-KRWDZBQOSA-N 0 1 288.366 3.688 20 0 CHADMN CC(C)O[C@@H](CN1CCO[C@@H](C(C)C)C1)c1ccccc1 ZINC000428347987 1123975049 /nfs/dbraw/zinc/97/50/49/1123975049.db2.gz OHKFHOBCRZNROY-MSOLQXFVSA-N 0 1 291.435 3.510 20 0 CHADMN CO[C@@H](C)CNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000302688460 1123978177 /nfs/dbraw/zinc/97/81/77/1123978177.db2.gz URIQKHXJKJOBDM-VIFPVBQESA-N 0 1 284.281 3.700 20 0 CHADMN CCN(Cc1ccccn1)c1ccnc2cc(F)ccc21 ZINC000302690124 1123978277 /nfs/dbraw/zinc/97/82/77/1123978277.db2.gz VABRONJIZGCRDY-UHFFFAOYSA-N 0 1 281.334 3.795 20 0 CHADMN Clc1cncc(Cl)c1CNCCc1ccsc1 ZINC000865408258 1123981257 /nfs/dbraw/zinc/98/12/57/1123981257.db2.gz UKXNQIDVEBDHEC-UHFFFAOYSA-N 0 1 287.215 3.782 20 0 CHADMN CCOc1cccc(CNCc2cnc(Cl)c(F)c2)c1 ZINC000865416066 1123981852 /nfs/dbraw/zinc/98/18/52/1123981852.db2.gz VQUWDHLSHMFHLR-UHFFFAOYSA-N 0 1 294.757 3.563 20 0 CHADMN Cc1nccnc1CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000621326288 1129163476 /nfs/dbraw/zinc/16/34/76/1129163476.db2.gz DHPPLRFUCRFIBH-INIZCTEOSA-N 0 1 287.794 3.679 20 0 CHADMN CC[C@H](NCc1ccsc1)c1c(C)noc1C ZINC000121304717 1123983665 /nfs/dbraw/zinc/98/36/65/1123983665.db2.gz IZNAEHPFOLYTBD-LBPRGKRZSA-N 0 1 250.367 3.594 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1cccnc1F ZINC000794836937 1123984429 /nfs/dbraw/zinc/98/44/29/1123984429.db2.gz SKPXXTZAKVIILA-BDJLRTHQSA-N 0 1 288.341 3.773 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cnc2c(F)cccc2c1 ZINC000865462398 1123986494 /nfs/dbraw/zinc/98/64/94/1123986494.db2.gz NLSKQDVPCQKSJG-JTQLQIEISA-N 0 1 299.349 3.830 20 0 CHADMN CSC1(CNc2ccnc3cc(F)ccc32)CC1 ZINC000302868403 1123987903 /nfs/dbraw/zinc/98/79/03/1123987903.db2.gz WXYKPUAZLGPGGD-UHFFFAOYSA-N 0 1 262.353 3.681 20 0 CHADMN Cc1cccc(F)c1CNCc1ccc(C(F)F)nc1 ZINC000865477956 1123988182 /nfs/dbraw/zinc/98/81/82/1123988182.db2.gz OCJRVKJFJNSUOE-UHFFFAOYSA-N 0 1 280.293 3.757 20 0 CHADMN Cc1cc(CNc2nccn2Cc2ccccc2)ccc1F ZINC000508484872 1123990096 /nfs/dbraw/zinc/99/00/96/1123990096.db2.gz VEGUYEKAZAZZOM-UHFFFAOYSA-N 0 1 295.361 3.991 20 0 CHADMN CCOc1ccc([C@H](C)NCc2cncc(Cl)c2)cc1 ZINC000621273055 1129159386 /nfs/dbraw/zinc/15/93/86/1129159386.db2.gz LOHHSWKMUWSLHP-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN CC(C)c1cccc(CNCc2cc3c(cc[nH]c3=O)o2)c1 ZINC000865531747 1123992331 /nfs/dbraw/zinc/99/23/31/1123992331.db2.gz NJQSQSTXTRGPQA-UHFFFAOYSA-N 0 1 296.370 3.947 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(C(C)(C)O)cc2)c(C)o1 ZINC000278156339 1129159436 /nfs/dbraw/zinc/15/94/36/1129159436.db2.gz AMABIDCRUUQDKF-ZDUSSCGKSA-N 0 1 287.403 3.975 20 0 CHADMN CC(C)(C)c1csc(CNc2ccc3nc[nH]c3c2)n1 ZINC000865558835 1123995337 /nfs/dbraw/zinc/99/53/37/1123995337.db2.gz RKBFESUWKUGQDD-UHFFFAOYSA-N 0 1 286.404 3.929 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1cc2c(cc[nH]c2=O)o1 ZINC000865580259 1123997143 /nfs/dbraw/zinc/99/71/43/1123997143.db2.gz YKILDBQPXXBSKU-UHFFFAOYSA-N 0 1 296.370 3.867 20 0 CHADMN COc1ccc([C@@H](C)NCc2cncc(Cl)c2)cc1 ZINC000621272789 1129159823 /nfs/dbraw/zinc/15/98/23/1129159823.db2.gz CDGMPCWZKWMNMT-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN Cc1ccc(CNCc2cn(C3CC3)cn2)c2ccccc12 ZINC000865602278 1123997969 /nfs/dbraw/zinc/99/79/69/1123997969.db2.gz UBMVEWCMOCLQPB-UHFFFAOYSA-N 0 1 291.398 3.969 20 0 CHADMN FC(F)C1CCN(c2ccncc2C(F)(F)F)CC1 ZINC000865620747 1123999796 /nfs/dbraw/zinc/99/97/96/1123999796.db2.gz BTOGYMBRUYGETA-UHFFFAOYSA-N 0 1 280.240 3.582 20 0 CHADMN Cc1scc(CNCc2cccnc2Cl)c1C ZINC000865624734 1124000166 /nfs/dbraw/zinc/00/01/66/1124000166.db2.gz XFZQSZKODBKHPX-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2NCc1cn(C2CC2)cn1 ZINC000865633410 1124000775 /nfs/dbraw/zinc/00/07/75/1124000775.db2.gz CZDJFSWIFNGBOF-SFHVURJKSA-N 0 1 281.403 3.694 20 0 CHADMN C[C@]1(CNCc2c(Cl)cncc2Cl)CC1(F)F ZINC000865627403 1124001145 /nfs/dbraw/zinc/00/11/45/1124001145.db2.gz JOPCLBPFXCWUOM-SNVBAGLBSA-N 0 1 281.133 3.523 20 0 CHADMN CCC[C@@H](NCc1ccc2c(c1)OCO2)c1cc(C)ccn1 ZINC000631561977 1124001907 /nfs/dbraw/zinc/00/19/07/1124001907.db2.gz UTMKLAXYBWBLQX-OAHLLOKOSA-N 0 1 298.386 3.750 20 0 CHADMN CCC[C@@H](NCc1ccccc1CO)c1cc(C)ccn1 ZINC000631571362 1124003704 /nfs/dbraw/zinc/00/37/04/1124003704.db2.gz BNADEBPDDCLIDK-QGZVFWFLSA-N 0 1 284.403 3.513 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)c1cccc2cn[nH]c21 ZINC000039555681 1124005152 /nfs/dbraw/zinc/00/51/52/1124005152.db2.gz SQCZGWBAOUJPSJ-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN Cc1ncc([C@H](C)NCc2cnc(C(C)C)s2)s1 ZINC000865701747 1124006580 /nfs/dbraw/zinc/00/65/80/1124006580.db2.gz IDABXTZSPDLLID-VIFPVBQESA-N 0 1 281.450 3.882 20 0 CHADMN Cc1cn[nH]c1CNc1cccc2c1OC(C)(C)C=C2 ZINC000865735685 1124009429 /nfs/dbraw/zinc/00/94/29/1124009429.db2.gz UCSCTARMENEQMP-UHFFFAOYSA-N 0 1 269.348 3.514 20 0 CHADMN Fc1cccc(F)c1CNCCSCCC(F)(F)F ZINC000865789199 1124014347 /nfs/dbraw/zinc/01/43/47/1124014347.db2.gz SCVCOTYULBQXPJ-UHFFFAOYSA-N 0 1 299.308 3.740 20 0 CHADMN Cc1ccccc1C1(NCc2cncc(Cl)c2)CC1 ZINC000621311443 1129160773 /nfs/dbraw/zinc/16/07/73/1129160773.db2.gz JTRNGOIXPLBDJI-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN C/C(=C\c1ccccc1)CNCc1nn(C)cc1C(F)F ZINC000865809313 1124016601 /nfs/dbraw/zinc/01/66/01/1124016601.db2.gz NQOLKNMMWQVSEP-XYOKQWHBSA-N 0 1 291.345 3.551 20 0 CHADMN C[C@H]1CC2(CCC2)CN1Cc1c(Cl)nc2ccccn21 ZINC000763650823 1129161073 /nfs/dbraw/zinc/16/10/73/1129161073.db2.gz ZUJJEKKHJSZEQA-LBPRGKRZSA-N 0 1 289.810 3.752 20 0 CHADMN CC(C)c1cnc(CNC2([C@H]3CCCCO3)CCC2)s1 ZINC000865855796 1124021357 /nfs/dbraw/zinc/02/13/57/1124021357.db2.gz BGIZGRBZUHKEQT-CQSZACIVSA-N 0 1 294.464 3.848 20 0 CHADMN C[C@@H](C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1)C1CC1 ZINC000475588678 1124022467 /nfs/dbraw/zinc/02/24/67/1124022467.db2.gz IYDPQDRYLXXDKM-SNVBAGLBSA-N 0 1 285.391 3.845 20 0 CHADMN Clc1cncc(CN2CCC[C@@H](c3ccccn3)C2)c1 ZINC000621297386 1129161956 /nfs/dbraw/zinc/16/19/56/1129161956.db2.gz MJQVCHPTCHZTRP-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1cccc(CN[C@H]2c3cc(F)ccc3CC[C@@H]2C)n1 ZINC000866237574 1124039821 /nfs/dbraw/zinc/03/98/21/1124039821.db2.gz FCOKNOOLYCDNSF-KPZWWZAWSA-N 0 1 284.378 3.942 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1nncn1-c1ccccc1 ZINC000444648835 1124048079 /nfs/dbraw/zinc/04/80/79/1124048079.db2.gz OETIZUGKHXSPRM-WBVHZDCISA-N 0 1 298.434 3.668 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1nncn1-c1ccccc1 ZINC000444649653 1124048618 /nfs/dbraw/zinc/04/86/18/1124048618.db2.gz AOAYOCRLSOOEJR-INIZCTEOSA-N 0 1 298.434 3.812 20 0 CHADMN C[C@H](NCc1ccc(-c2ccsc2)cc1)c1cnn(C)c1 ZINC000444686290 1124050885 /nfs/dbraw/zinc/05/08/85/1124050885.db2.gz VDXXRIVBCRCZPG-ZDUSSCGKSA-N 0 1 297.427 3.999 20 0 CHADMN OCC[C@@H](N[C@@H]1CCCc2c(F)cccc21)c1ccco1 ZINC000866342586 1124054543 /nfs/dbraw/zinc/05/45/43/1124054543.db2.gz WWQHNXUMKAOZTJ-HZPDHXFCSA-N 0 1 289.350 3.509 20 0 CHADMN OC[C@H](N[C@@H]1CCCc2c(F)cccc21)c1ccsc1 ZINC000866342521 1124054902 /nfs/dbraw/zinc/05/49/02/1124054902.db2.gz WPCHAXVAVGKCKA-CVEARBPZSA-N 0 1 291.391 3.588 20 0 CHADMN Cc1nc(CCN(C)Cc2cc(Cl)ccc2F)cs1 ZINC000444700052 1124054976 /nfs/dbraw/zinc/05/49/76/1124054976.db2.gz FTWDTEMEEHEDNQ-UHFFFAOYSA-N 0 1 298.814 3.919 20 0 CHADMN Fc1cccc(CCN2CC[C@@H](CC(F)(F)F)C2)c1F ZINC000444706704 1124055937 /nfs/dbraw/zinc/05/59/37/1124055937.db2.gz MKNJADRDYIOXNH-JTQLQIEISA-N 0 1 293.279 3.782 20 0 CHADMN CC(C)c1nc(CN(Cc2ccccc2)C(C)(C)C)n[nH]1 ZINC000428375297 1124056508 /nfs/dbraw/zinc/05/65/08/1124056508.db2.gz SIPCUFFFACCARQ-UHFFFAOYSA-N 0 1 286.423 3.729 20 0 CHADMN C[C@H](CN[C@@H]1c2ccccc2OC[C@H]1F)CC(F)(F)F ZINC000866374671 1124059405 /nfs/dbraw/zinc/05/94/05/1124059405.db2.gz FTYPETBHQAXUNL-UFGOTCBOSA-N 0 1 291.288 3.636 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2csc(N(C)C3CC3)n2)C1 ZINC000444750368 1124060220 /nfs/dbraw/zinc/06/02/20/1124060220.db2.gz BSURLILWHCASAZ-CYBMUJFWSA-N 0 1 293.480 3.610 20 0 CHADMN Cc1nccnc1CN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000621331727 1129163879 /nfs/dbraw/zinc/16/38/79/1129163879.db2.gz LQRPGXHLYGWVFB-SFHVURJKSA-N 0 1 299.393 3.945 20 0 CHADMN CCCc1ccc(CNCc2cn3c(cccc3C)n2)s1 ZINC000621335273 1129163940 /nfs/dbraw/zinc/16/39/40/1129163940.db2.gz HSILYEOEGGKDEG-UHFFFAOYSA-N 0 1 299.443 3.947 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccc(C(F)F)nc1 ZINC000866451500 1124067093 /nfs/dbraw/zinc/06/70/93/1124067093.db2.gz LQCZEANMVMZXAH-ADEWGFFLSA-N 0 1 272.314 3.951 20 0 CHADMN CC(C)[C@@H](NCc1ccnc(F)c1)c1cc(F)ccc1F ZINC000866475437 1124070336 /nfs/dbraw/zinc/07/03/36/1124070336.db2.gz YXJQMGXBPBOJLZ-MRXNPFEDSA-N 0 1 294.320 3.986 20 0 CHADMN Cc1nc(CN(C)c2ccccc2Oc2ccccc2)n[nH]1 ZINC000428388857 1124073245 /nfs/dbraw/zinc/07/32/45/1124073245.db2.gz JTONSJCIVYYFCH-UHFFFAOYSA-N 0 1 294.358 3.542 20 0 CHADMN Cc1ccc(F)c(-c2noc(C[N@@H+]3[C@H](C)CC[C@@H]3C)n2)c1 ZINC000445458863 1124085748 /nfs/dbraw/zinc/08/57/48/1124085748.db2.gz WLNAVEYNUKRWNG-TXEJJXNPSA-N 0 1 289.354 3.557 20 0 CHADMN Cc1ccc(F)c(-c2noc(CN3[C@H](C)CC[C@@H]3C)n2)c1 ZINC000445458863 1124085752 /nfs/dbraw/zinc/08/57/52/1124085752.db2.gz WLNAVEYNUKRWNG-TXEJJXNPSA-N 0 1 289.354 3.557 20 0 CHADMN Cc1cncc([C@H](C)N[C@@H](C)c2cc3cnccc3o2)c1 ZINC000866621503 1124090180 /nfs/dbraw/zinc/09/01/80/1124090180.db2.gz SDRPCALEVFVCCW-STQMWFEESA-N 0 1 281.359 3.943 20 0 CHADMN COc1cccc(CNCc2ccc3ncccc3c2)c1F ZINC000192714270 1124097984 /nfs/dbraw/zinc/09/79/84/1124097984.db2.gz HYWKQGGHKVFWLU-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN CCN(CCC1CC1)Cc1ccn(-c2ccccc2F)n1 ZINC000445787385 1124100441 /nfs/dbraw/zinc/10/04/41/1124100441.db2.gz ONELPXYMNVRZDQ-UHFFFAOYSA-N 0 1 287.382 3.633 20 0 CHADMN CCCN(Cc1cnoc1C)[C@H](C)c1ccccc1OC ZINC000445801772 1124101104 /nfs/dbraw/zinc/10/11/04/1124101104.db2.gz IIFVPRIWADMUHU-CYBMUJFWSA-N 0 1 288.391 3.965 20 0 CHADMN CO[C@H](C)CN(Cc1cc(F)ccc1Cl)C(C)C ZINC000445818525 1124103503 /nfs/dbraw/zinc/10/35/03/1124103503.db2.gz LQBSMUZWFUSTCN-LLVKDONJSA-N 0 1 273.779 3.724 20 0 CHADMN Cc1ccccc1NC(=O)CN1CCCC2(CCCC2)C1 ZINC000445866099 1124105567 /nfs/dbraw/zinc/10/55/67/1124105567.db2.gz KANDVQOWFMUUPE-UHFFFAOYSA-N 0 1 286.419 3.590 20 0 CHADMN C[C@@H](Cc1ccoc1)N[C@H](CF)c1ccc(F)cc1 ZINC000631798318 1124107299 /nfs/dbraw/zinc/10/72/99/1124107299.db2.gz QQYZHHLHUCMAND-XHDPSFHLSA-N 0 1 265.303 3.650 20 0 CHADMN COCc1nc(CN(C)[C@H]2CCC[C@H]2C(C)(C)C)cs1 ZINC000418109204 1124107361 /nfs/dbraw/zinc/10/73/61/1124107361.db2.gz HXGQTCKCQBOZRL-KGLIPLIRSA-N 0 1 296.480 3.936 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCCCC(C)(C)C1 ZINC000446064186 1124108354 /nfs/dbraw/zinc/10/83/54/1124108354.db2.gz XAGNXAYCYAMJOK-CYBMUJFWSA-N 0 1 299.418 3.909 20 0 CHADMN CC(C)(C)c1cnc(CN2CCCCC(C)(C)C2)o1 ZINC000446068610 1124108947 /nfs/dbraw/zinc/10/89/47/1124108947.db2.gz RUMNIOJOQNWETG-UHFFFAOYSA-N 0 1 264.413 3.984 20 0 CHADMN Cc1cc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c2ccccc2n1 ZINC000446071158 1124109467 /nfs/dbraw/zinc/10/94/67/1124109467.db2.gz PAUYAZAXFAYRQR-SOUVJXGZSA-N 0 1 284.403 3.541 20 0 CHADMN Fc1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000446145581 1124110124 /nfs/dbraw/zinc/11/01/24/1124110124.db2.gz MLZQZECNHVMIPM-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN CCOc1cncc(CNCc2ccc(C3CC3)cc2)c1 ZINC000621349109 1129166964 /nfs/dbraw/zinc/16/69/64/1129166964.db2.gz JLBDUJBBCLVPNB-UHFFFAOYSA-N 0 1 282.387 3.648 20 0 CHADMN CCCCc1nc(CN2CC[C@@H](C(C)C)C2)cs1 ZINC000446711293 1124118755 /nfs/dbraw/zinc/11/87/55/1124118755.db2.gz LIFMKHPROFXEGT-CYBMUJFWSA-N 0 1 266.454 3.964 20 0 CHADMN CC[C@H]1CCN(Cc2csc(Cc3ccccc3)n2)C1 ZINC000446714111 1124118780 /nfs/dbraw/zinc/11/87/80/1124118780.db2.gz FBJHJOCAXKWTPW-AWEZNQCLSA-N 0 1 286.444 3.966 20 0 CHADMN COC(=O)c1cc(F)ccc1CN1CCC[C@@H]1C(C)(C)C ZINC000525273372 1124119715 /nfs/dbraw/zinc/11/97/15/1124119715.db2.gz OWZXSIQTWTWECK-OAHLLOKOSA-N 0 1 293.382 3.623 20 0 CHADMN CC(C)[C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000446726453 1124120247 /nfs/dbraw/zinc/12/02/47/1124120247.db2.gz OTTPVPRDKWWFOV-CHWSQXEVSA-N 0 1 294.826 3.645 20 0 CHADMN CC(C)COc1ccccc1CN(C)CCOCC1CC1 ZINC000446724439 1124120441 /nfs/dbraw/zinc/12/04/41/1124120441.db2.gz DCBWLJUSDYMJNI-UHFFFAOYSA-N 0 1 291.435 3.580 20 0 CHADMN COCCN(C)Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000446763342 1124121343 /nfs/dbraw/zinc/12/13/43/1124121343.db2.gz VGNXQQLGRUINHH-UHFFFAOYSA-N 0 1 289.350 3.696 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2coc(-c3cccs3)n2)C1 ZINC000525408232 1124126800 /nfs/dbraw/zinc/12/68/00/1124126800.db2.gz QIIHNSLLKPGCMY-GHMZBOCLSA-N 0 1 262.378 3.633 20 0 CHADMN CCc1ccc(CN(C)[C@@H](C)c2cnc(C)cn2)cc1 ZINC000428457587 1124126879 /nfs/dbraw/zinc/12/68/79/1124126879.db2.gz ACQAVQMGVLARKQ-AWEZNQCLSA-N 0 1 269.392 3.540 20 0 CHADMN Cc1cc([C@H]2CCCN2CCOC2CCCCCC2)on1 ZINC000525422921 1124127870 /nfs/dbraw/zinc/12/78/70/1124127870.db2.gz GJGRRQIIPMDYIJ-MRXNPFEDSA-N 0 1 292.423 3.859 20 0 CHADMN CCc1nc(C)c(CN(C)[C@@H](C)c2ccccc2)o1 ZINC000428462401 1124129625 /nfs/dbraw/zinc/12/96/25/1124129625.db2.gz SYZSEDCYCLFCIS-ZDUSSCGKSA-N 0 1 258.365 3.738 20 0 CHADMN Cc1cccc(CCCSCc2n[nH]c(C3CC3)n2)c1 ZINC000447055035 1124131458 /nfs/dbraw/zinc/13/14/58/1124131458.db2.gz RBQMXCDGLCTNOO-UHFFFAOYSA-N 0 1 287.432 3.857 20 0 CHADMN Fc1ccc(C2(CNCc3ccon3)CCCC2)c(F)c1 ZINC000634977050 1129168519 /nfs/dbraw/zinc/16/85/19/1129168519.db2.gz PERAFSZQKMKOAA-UHFFFAOYSA-N 0 1 292.329 3.554 20 0 CHADMN c1cc([C@@H]2CCCN2Cc2cccc3ccccc32)n[nH]1 ZINC000429710337 1124134360 /nfs/dbraw/zinc/13/43/60/1124134360.db2.gz VUPMRNVPKGGPJJ-SFHVURJKSA-N 0 1 277.371 3.900 20 0 CHADMN CCOc1cncc(CNC2(c3ccccc3C)CC2)c1 ZINC000621366053 1129171981 /nfs/dbraw/zinc/17/19/81/1129171981.db2.gz FDAGCYXMPOVCIS-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN CCCC[C@@H](CC)CC[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000414686138 1129176337 /nfs/dbraw/zinc/17/63/37/1129176337.db2.gz UTKPDBHPFQKSTQ-KGLIPLIRSA-N 0 1 255.402 3.532 20 0 CHADMN CCc1cc(CNCc2ccc(Oc3ccccc3)o2)n[nH]1 ZINC000779975390 1129177817 /nfs/dbraw/zinc/17/78/17/1129177817.db2.gz FQAJLLOQHOIGFA-UHFFFAOYSA-N 0 1 297.358 3.647 20 0 CHADMN CC[C@@H](C(=O)NOCc1ccc(F)cc1)c1ccccc1 ZINC000184215052 1129178386 /nfs/dbraw/zinc/17/83/86/1129178386.db2.gz DXPDNHFOUHZAIG-MRXNPFEDSA-N 0 1 287.334 3.567 20 0 CHADMN Cc1cc(F)cc(CN2CCC[C@@]3(CCOC3)C2)c1Cl ZINC001238776071 1131244227 /nfs/dbraw/zinc/24/42/27/1131244227.db2.gz FKPVCELRWJAKTM-MRXNPFEDSA-N 0 1 297.801 3.790 20 0 CHADMN Cc1cc(F)cc(CN2CCC[C@](C)(O)CC2)c1Cl ZINC001238776050 1131244547 /nfs/dbraw/zinc/24/45/47/1131244547.db2.gz DTPGZWVIEBVSSN-HNNXBMFYSA-N 0 1 285.790 3.524 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001238786588 1131247824 /nfs/dbraw/zinc/24/78/24/1131247824.db2.gz HHPPKGZVPDVZBP-RISCZKNCSA-N 0 1 295.785 3.589 20 0 CHADMN Cc1cccc(C)c1-n1[nH]c(C2CCCC2)cc1=O ZINC001245928380 1131250369 /nfs/dbraw/zinc/25/03/69/1131250369.db2.gz GUYVLICZPQBERP-UHFFFAOYSA-N 0 1 256.349 3.852 20 0 CHADMN O=c1cc(C2CCCC2)[nH]n1-c1c(F)cc(F)cc1F ZINC001245928194 1131250940 /nfs/dbraw/zinc/25/09/40/1131250940.db2.gz AVMZAPWWPGJEDL-UHFFFAOYSA-N 0 1 282.265 3.653 20 0 CHADMN O=c1cc(C2CCCC2)[nH]n1-c1cccc(F)c1F ZINC001245928385 1131251175 /nfs/dbraw/zinc/25/11/75/1131251175.db2.gz GXNDLCMITPIUEB-UHFFFAOYSA-N 0 1 264.275 3.514 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(C3CC3)nc2)cc1F ZINC001238854877 1131258197 /nfs/dbraw/zinc/25/81/97/1131258197.db2.gz NGUWDTKPLLPRHJ-UHFFFAOYSA-N 0 1 270.351 3.827 20 0 CHADMN Cc1oc(C[N@@H+](C)C[C@@H]2CCCC(C)(C)C2)cc1C(=O)[O-] ZINC001119597118 1131259036 /nfs/dbraw/zinc/25/90/36/1131259036.db2.gz HTFBGLVQGILWAT-CYBMUJFWSA-N 0 1 293.407 3.934 20 0 CHADMN Clc1cccc2c1C[C@@H](N1Cc3ccncc3C1)CC2 ZINC001170935689 1131259359 /nfs/dbraw/zinc/25/93/59/1131259359.db2.gz ULPKSYTVHOAISV-HNNXBMFYSA-N 0 1 284.790 3.608 20 0 CHADMN C[C@H]1CCCN(Cc2cccc(Cl)c2Cl)[C@H]1CO ZINC000447311253 1124461021 /nfs/dbraw/zinc/46/10/21/1124461021.db2.gz GIRBJWDNYMCELA-GWCFXTLKSA-N 0 1 288.218 3.586 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2nc(C(C)(C)C)cs2)C1 ZINC000447293310 1124461809 /nfs/dbraw/zinc/46/18/09/1124461809.db2.gz VHKIPIUADORZSA-VXGBXAGGSA-N 0 1 266.454 3.919 20 0 CHADMN COc1cc(OC)cc([C@H](C)Nc2cccn3cncc23)c1 ZINC001170936075 1131260943 /nfs/dbraw/zinc/26/09/43/1131260943.db2.gz MFRSDFXKRGRCRA-LBPRGKRZSA-N 0 1 297.358 3.525 20 0 CHADMN C[C@H](N[C@@H]1CO[C@H](C)[C@H]1C)c1nc(C(C)(C)C)cs1 ZINC001119690052 1131261483 /nfs/dbraw/zinc/26/14/83/1131261483.db2.gz WKGNUWDUDJZRSJ-WRWGMCAJSA-N 0 1 282.453 3.515 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CCC(Nc2ccccc2)CC1 ZINC001119687090 1131262019 /nfs/dbraw/zinc/26/20/19/1131262019.db2.gz YQOIJZDMDBPNNW-AWEZNQCLSA-N 0 1 299.393 3.858 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@]23C[C@H]2CCCC3)c1 ZINC000868488643 1124472216 /nfs/dbraw/zinc/47/22/16/1124472216.db2.gz ZDDFHXZGTPHERZ-SJKOYZFVSA-N 0 1 287.359 3.504 20 0 CHADMN CCc1ccc(CN(Cc2n[nH]c(C(C)C)n2)C2CC2)cc1 ZINC000428488364 1124483287 /nfs/dbraw/zinc/48/32/87/1124483287.db2.gz SPRCHPVEAOCZEK-UHFFFAOYSA-N 0 1 298.434 3.655 20 0 CHADMN CCN(Cc1c[nH]c2ccccc12)[C@@H](C)c1cnc(C)cn1 ZINC000428490806 1124490360 /nfs/dbraw/zinc/49/03/60/1124490360.db2.gz PETNROOILFRKEB-AWEZNQCLSA-N 0 1 294.402 3.849 20 0 CHADMN CCc1nc(C)c(CN(CC)Cc2ccccc2)o1 ZINC000428489354 1124490729 /nfs/dbraw/zinc/49/07/29/1124490729.db2.gz VAWPCVBJTZRTKS-UHFFFAOYSA-N 0 1 258.365 3.568 20 0 CHADMN COC[C@@H](N[C@H]1CCCc2occc21)c1ccc(F)cc1 ZINC000447584013 1124492449 /nfs/dbraw/zinc/49/24/49/1124492449.db2.gz DICBJRGEPGXKJW-JKSUJKDBSA-N 0 1 289.350 3.773 20 0 CHADMN COc1ccccc1[C@H](C)NCc1ccc(NC(C)=O)cc1 ZINC000017314197 1124493845 /nfs/dbraw/zinc/49/38/45/1124493845.db2.gz ACIXKEHCJPLKNG-ZDUSSCGKSA-N 0 1 298.386 3.504 20 0 CHADMN Cc1cc(-c2cc3ccccc3[nH]c2=O)cc2[nH]cnc21 ZINC001238881904 1131263873 /nfs/dbraw/zinc/26/38/73/1131263873.db2.gz XDOHTPOBLLNBGZ-UHFFFAOYSA-N 0 1 275.311 3.792 20 0 CHADMN CCc1ccc(CN2Cc3ccccc3C3(CC3)C2)nc1 ZINC000339090388 1124502196 /nfs/dbraw/zinc/50/21/96/1124502196.db2.gz FQKBDVWERRZJQB-UHFFFAOYSA-N 0 1 278.399 3.691 20 0 CHADMN CN(C)Cc1cc(-c2cc3ccccc3[nH]c2=O)ccc1F ZINC001238884112 1131264849 /nfs/dbraw/zinc/26/48/49/1131264849.db2.gz MKYOXZHCDNQEAG-UHFFFAOYSA-N 0 1 296.345 3.808 20 0 CHADMN C=Cn1cc(CN(C)[C@@H](C)c2cc(C)ccc2C)cn1 ZINC000447727339 1124512332 /nfs/dbraw/zinc/51/23/32/1124512332.db2.gz IWPVQWRMFQEMFF-HNNXBMFYSA-N 0 1 269.392 3.793 20 0 CHADMN Cc1ccc(CN(C)Cc2cccn2C)cc1Cl ZINC000447733798 1124516180 /nfs/dbraw/zinc/51/61/80/1124516180.db2.gz QZWRTWQSQQEPIG-UHFFFAOYSA-N 0 1 262.784 3.619 20 0 CHADMN CN(Cc1cnc(C(F)(F)F)s1)CC1CCCC1 ZINC000447739340 1124520525 /nfs/dbraw/zinc/52/05/25/1124520525.db2.gz HHNMPSMNPYMDDE-UHFFFAOYSA-N 0 1 278.343 3.784 20 0 CHADMN CN(Cc1ccc(Cl)c(Cl)c1)CC1(F)CC1 ZINC000526969592 1124533483 /nfs/dbraw/zinc/53/34/83/1124533483.db2.gz CNLYABKUXPLJBT-UHFFFAOYSA-N 0 1 262.155 3.927 20 0 CHADMN CCc1ccc(-c2nc(-c3ccn4cncc4c3)no2)cc1 ZINC000447958507 1124550223 /nfs/dbraw/zinc/55/02/23/1124550223.db2.gz HXOPVAQQXFLGAP-UHFFFAOYSA-N 0 1 290.326 3.614 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1ncc(C(C)(C)C)s1 ZINC000448218538 1124568862 /nfs/dbraw/zinc/56/88/62/1124568862.db2.gz VCGXMYTUIYBKJO-JTQLQIEISA-N 0 1 252.427 3.671 20 0 CHADMN COc1ccccc1[C@H](CC(C)C)N[C@H](C)c1ccnnc1 ZINC000925209894 1124577997 /nfs/dbraw/zinc/57/79/97/1124577997.db2.gz UOVYNZMHNKYIFG-PBHICJAKSA-N 0 1 299.418 3.923 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CC[C@@H](CC(C)(C)C)C1 ZINC000448555017 1124585324 /nfs/dbraw/zinc/58/53/24/1124585324.db2.gz PFTDUSHNRLKAGU-RYUDHWBXSA-N 0 1 277.412 3.766 20 0 CHADMN COc1ccc(CN[C@@]2(C)CCCc3ccccc32)o1 ZINC001120024083 1131270815 /nfs/dbraw/zinc/27/08/15/1131270815.db2.gz BIVUKDUSUMPXMQ-KRWDZBQOSA-N 0 1 271.360 3.630 20 0 CHADMN Cc1ccc2c(c1)CN(CCCC(F)(F)F)CCO2 ZINC001120044109 1131271529 /nfs/dbraw/zinc/27/15/29/1131271529.db2.gz ZUKOPBGASOQHBH-UHFFFAOYSA-N 0 1 273.298 3.532 20 0 CHADMN C[C@@H](c1ccco1)N(C)Cc1cc2cccnc2o1 ZINC000449010992 1124632509 /nfs/dbraw/zinc/63/25/09/1124632509.db2.gz NTKLGJCGBJWIFI-NSHDSACASA-N 0 1 256.305 3.614 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@H](c3ccccc3)[C@H](C)C2)n1 ZINC000129843966 1124632829 /nfs/dbraw/zinc/63/28/29/1124632829.db2.gz HAUJKZURWIHXRA-YCPHGPKFSA-N 0 1 299.418 3.819 20 0 CHADMN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1ccncc1F ZINC000449029418 1124634608 /nfs/dbraw/zinc/63/46/08/1124634608.db2.gz OPKUECVSGXFSMU-GDBMZVCRSA-N 0 1 284.378 3.674 20 0 CHADMN CC[C@H](NCc1c(C)nnn1CC)c1cccc(Cl)c1 ZINC000449076393 1124645182 /nfs/dbraw/zinc/64/51/82/1124645182.db2.gz HAKWSAMZXROWTD-AWEZNQCLSA-N 0 1 292.814 3.501 20 0 CHADMN COc1ccc([C@H]2CC[N@@H+](C/C=C(\C)Cl)C2)cc1 ZINC000528369223 1124648547 /nfs/dbraw/zinc/64/85/47/1124648547.db2.gz ZHMNFHRSNVXESG-GMMCIKNFSA-N 0 1 265.784 3.627 20 0 CHADMN CCN(C/C=C(/C)Cl)[C@@H](C)c1cccc(O)c1 ZINC000528397398 1124653041 /nfs/dbraw/zinc/65/30/41/1124653041.db2.gz KPDANUUSUJTUES-KGTBHZDVSA-N 0 1 253.773 3.918 20 0 CHADMN O=c1cc(C2CCCC2)[nH]n1-c1cccc2cnccc21 ZINC000871958894 1124654496 /nfs/dbraw/zinc/65/44/96/1124654496.db2.gz HCTWVEHTFSOFHH-UHFFFAOYSA-N 0 1 279.343 3.518 20 0 CHADMN C[C@@H]1CCc2[nH]n(-c3cccc4ccccc43)c(=O)c21 ZINC000871946759 1124654915 /nfs/dbraw/zinc/65/49/15/1124654915.db2.gz IBCRXQDWGYRZLM-BDJLRTHQSA-N 0 1 264.328 3.589 20 0 CHADMN CC1(C)CC[C@@H]2C(=O)N(c3cccc4cnccc43)N=C2C1 ZINC000871960468 1124656095 /nfs/dbraw/zinc/65/60/95/1124656095.db2.gz ZNSWBIBUIAGMHN-AWEZNQCLSA-N 0 1 293.370 3.764 20 0 CHADMN CC1(C)CCc2c([nH]n(-c3cccc4cnccc43)c2=O)C1 ZINC000871960468 1124656098 /nfs/dbraw/zinc/65/60/98/1124656098.db2.gz ZNSWBIBUIAGMHN-AWEZNQCLSA-N 0 1 293.370 3.764 20 0 CHADMN COc1cc(F)cc(CNC2(c3cccc(F)c3)CC2)c1 ZINC000449153522 1124657184 /nfs/dbraw/zinc/65/71/84/1124657184.db2.gz DVZNKHZCJWHPOA-UHFFFAOYSA-N 0 1 289.325 3.752 20 0 CHADMN COCc1ccccc1CN[C@@H](C)c1cc(O)ccc1F ZINC000872018306 1124657877 /nfs/dbraw/zinc/65/78/77/1124657877.db2.gz KEZXSOMCTDAXSZ-LBPRGKRZSA-N 0 1 289.350 3.529 20 0 CHADMN CC[C@@H](NCc1ccc(C)cc1OC)c1ccncc1 ZINC000449162234 1124661563 /nfs/dbraw/zinc/66/15/63/1124661563.db2.gz IQKUSPZFOUKQOP-MRXNPFEDSA-N 0 1 270.376 3.640 20 0 CHADMN C/C(Cl)=C/CN1C[C@@H](C)[N@@H+](C/C=C(/C)Cl)C[C@@H]1C ZINC000528421698 1124661679 /nfs/dbraw/zinc/66/16/79/1124661679.db2.gz PFHUJGRVZJGXEC-RHJFQAKUSA-N 0 1 291.266 3.666 20 0 CHADMN C/C(Cl)=C/CN1C[C@H](C)N(C/C=C(/C)Cl)C[C@H]1C ZINC000528421698 1124661683 /nfs/dbraw/zinc/66/16/83/1124661683.db2.gz PFHUJGRVZJGXEC-RHJFQAKUSA-N 0 1 291.266 3.666 20 0 CHADMN Cc1ccc2sc(C[N@@H+](C)CCC3CC3)nc2c1 ZINC000528423671 1124662698 /nfs/dbraw/zinc/66/26/98/1124662698.db2.gz JHOBTQTWEPPSPM-UHFFFAOYSA-N 0 1 260.406 3.837 20 0 CHADMN Cc1ccc2sc(CN(C)CCC3CC3)nc2c1 ZINC000528423671 1124662701 /nfs/dbraw/zinc/66/27/01/1124662701.db2.gz JHOBTQTWEPPSPM-UHFFFAOYSA-N 0 1 260.406 3.837 20 0 CHADMN FC(F)(F)c1ncccc1CNC1(c2ccccc2)CC1 ZINC000528435757 1124666277 /nfs/dbraw/zinc/66/62/77/1124666277.db2.gz DUVRBJSDRHAGJG-UHFFFAOYSA-N 0 1 292.304 3.879 20 0 CHADMN COCCN(Cc1ncccc1Cl)C[C@H]1CC=CCC1 ZINC000528470241 1124673761 /nfs/dbraw/zinc/67/37/61/1124673761.db2.gz SDAQRBHHOWKYBV-AWEZNQCLSA-N 0 1 294.826 3.540 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cc(CO)ccc2F)c1 ZINC000528476023 1124675601 /nfs/dbraw/zinc/67/56/01/1124675601.db2.gz MCGDUADWSWKLJX-UHFFFAOYSA-N 0 1 287.378 3.567 20 0 CHADMN Cn1cncc1CN[C@H]1CC(C)(C)Sc2ccccc21 ZINC000872073222 1124675765 /nfs/dbraw/zinc/67/57/65/1124675765.db2.gz OTVPOYJJWCXFIK-AWEZNQCLSA-N 0 1 287.432 3.525 20 0 CHADMN C[C@@H](NC[C@@]1(C)CC1(Cl)Cl)c1cc(O)ccc1F ZINC000872076913 1124676520 /nfs/dbraw/zinc/67/65/20/1124676520.db2.gz VKDLWHBREAEPST-PRHODGIISA-N 0 1 292.181 3.766 20 0 CHADMN COc1cc(C)ccc1CN(C)[C@H](C)c1ccncc1 ZINC000449237323 1124677352 /nfs/dbraw/zinc/67/73/52/1124677352.db2.gz BKCWTQIOFNUAOY-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN C[C@H](CN[C@@H]1CCc2cc(F)c(F)c(F)c21)C(F)(F)F ZINC000449259556 1124677680 /nfs/dbraw/zinc/67/76/80/1124677680.db2.gz ULSFJRMOGIAHFN-HZGVNTEJSA-N 0 1 297.242 3.879 20 0 CHADMN C/C(Cl)=C\CN1C[C@@H](C)N(C/C=C(\C)Cl)[C@@H](C)C1 ZINC000528486239 1124679246 /nfs/dbraw/zinc/67/92/46/1124679246.db2.gz OJENQRQGAREMFO-HZERFEBFSA-N 0 1 291.266 3.666 20 0 CHADMN FC(F)(F)c1ncccc1CN1CC[C@@H](CC2CC2)C1 ZINC000528513206 1124680684 /nfs/dbraw/zinc/68/06/84/1124680684.db2.gz QOYMWOHBKWVPSB-LBPRGKRZSA-N 0 1 284.325 3.722 20 0 CHADMN CC[C@H](N[C@H](C)c1nc(C(C)(C)C)no1)C1CCC1 ZINC000449275929 1124681699 /nfs/dbraw/zinc/68/16/99/1124681699.db2.gz AEGCNCWCALJDDI-PWSUYJOCSA-N 0 1 265.401 3.596 20 0 CHADMN CCN(Cc1cc2cccnc2o1)[C@H](C)c1cccnc1 ZINC000449328883 1124690884 /nfs/dbraw/zinc/69/08/84/1124690884.db2.gz GXAMILONNIQZOH-CYBMUJFWSA-N 0 1 281.359 3.806 20 0 CHADMN Cc1nc([C@@H](C)NC2CC(Nc3ccccc3)C2)cs1 ZINC000872133664 1124692717 /nfs/dbraw/zinc/69/27/17/1124692717.db2.gz OFYXDLCVNQSIIX-VCANKDNSSA-N 0 1 287.432 3.745 20 0 CHADMN COc1cc(C)c([C@@H](C)N[C@H](C)c2nccnc2C)cc1C ZINC000872133494 1124692843 /nfs/dbraw/zinc/69/28/43/1124692843.db2.gz NDYJPBICLLZNNR-UKRRQHHQSA-N 0 1 299.418 3.822 20 0 CHADMN c1c2cccnc2oc1CN1CCC[C@@H]1c1ccncc1 ZINC000449321226 1124693187 /nfs/dbraw/zinc/69/31/87/1124693187.db2.gz ROAZYSHWTKDSOD-MRXNPFEDSA-N 0 1 279.343 3.560 20 0 CHADMN Clc1cccnc1CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000528558271 1124693429 /nfs/dbraw/zinc/69/34/29/1124693429.db2.gz RGGNGGCOSRIJFQ-BBRMVZONSA-N 0 1 294.826 3.516 20 0 CHADMN CC[C@@H]1CCN1Cc1cnc(CCc2ccccc2)s1 ZINC000449341985 1124694950 /nfs/dbraw/zinc/69/49/50/1124694950.db2.gz YCPOHHALTFGJEC-OAHLLOKOSA-N 0 1 286.444 3.913 20 0 CHADMN CC[N@@H+](CCc1ccccc1)Cc1cc(C(=O)[O-])cs1 ZINC000872157156 1124695657 /nfs/dbraw/zinc/69/56/57/1124695657.db2.gz MKPLOUBRASUZKT-UHFFFAOYSA-N 0 1 289.400 3.511 20 0 CHADMN Cc1cccc(-c2n[nH]cc2CN2CCC[C@](C)(F)C2)c1 ZINC000449347066 1124695884 /nfs/dbraw/zinc/69/58/84/1124695884.db2.gz BDTSKVMGRXMYRP-KRWDZBQOSA-N 0 1 287.382 3.709 20 0 CHADMN c1cc2cccc(CN3C[C@@]4(CCCO4)[C@H]3C3CC3)c2o1 ZINC000449344949 1124696089 /nfs/dbraw/zinc/69/60/89/1124696089.db2.gz SSMIEDPMLHNRNO-MSOLQXFVSA-N 0 1 283.371 3.576 20 0 CHADMN Cc1ccc(C[N@@H+](C)CCCc2ccccc2)cc1C(=O)[O-] ZINC000872156873 1124696112 /nfs/dbraw/zinc/69/61/12/1124696112.db2.gz IMVYTGXNOSHKLX-UHFFFAOYSA-N 0 1 297.398 3.758 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872168190 1124696423 /nfs/dbraw/zinc/69/64/23/1124696423.db2.gz RACUHUZTCLWIGP-OFQRWUPVSA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])c1csc(C[N@@H+](CC2CC2)C2CCCCC2)c1 ZINC000872158087 1124696803 /nfs/dbraw/zinc/69/68/03/1124696803.db2.gz ZTQRPZSWYBQYOU-UHFFFAOYSA-N 0 1 293.432 3.991 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000872158624 1124696870 /nfs/dbraw/zinc/69/68/70/1124696870.db2.gz HGLYGVAOQCVORN-GYSYKLTISA-N 0 1 279.405 3.599 20 0 CHADMN Cc1ccc(C[N@H+](C)C[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000872157229 1124697158 /nfs/dbraw/zinc/69/71/58/1124697158.db2.gz NYMYLKHPZVWFDE-OAHLLOKOSA-N 0 1 297.398 3.929 20 0 CHADMN Fc1cccc2c(CN3CCc4ccsc4C3)c[nH]c21 ZINC001137057744 1124698014 /nfs/dbraw/zinc/69/80/14/1124698014.db2.gz OCHYWTGUIBTPRU-UHFFFAOYSA-N 0 1 286.375 3.927 20 0 CHADMN Cc1cccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1F ZINC000449335549 1124698574 /nfs/dbraw/zinc/69/85/74/1124698574.db2.gz LCVADOYRFDDOEO-WBVHZDCISA-N 0 1 289.394 3.668 20 0 CHADMN Clc1cccc(CN2CCC[C@H](OC3CCC3)CC2)n1 ZINC000872278386 1124700953 /nfs/dbraw/zinc/70/09/53/1124700953.db2.gz OZCRDUAURIMXOW-HNNXBMFYSA-N 0 1 294.826 3.659 20 0 CHADMN Cc1cc(CN2CCC[C@@](C)(F)C2)c2ccccc2n1 ZINC000449353314 1124708288 /nfs/dbraw/zinc/70/82/88/1124708288.db2.gz ZXVPYUIKCLUDDV-QGZVFWFLSA-N 0 1 272.367 3.867 20 0 CHADMN CC[C@@H](NC1CCC(C(=O)OC(C)(C)C)CC1)C(F)F ZINC000449359890 1124712386 /nfs/dbraw/zinc/71/23/86/1124712386.db2.gz IKMQDPSFHHPTFC-HTAVTVPLSA-N 0 1 291.382 3.520 20 0 CHADMN COC[C@@]1(C)CCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000449395064 1124714057 /nfs/dbraw/zinc/71/40/57/1124714057.db2.gz PGZUIIVYXZYVQU-LBPRGKRZSA-N 0 1 293.354 3.625 20 0 CHADMN FCC(CF)N[C@H]1CCC[C@H]1c1ccccc1Cl ZINC000449381019 1124716955 /nfs/dbraw/zinc/71/69/55/1124716955.db2.gz QCZAPPVYRISXAE-JSGCOSHPSA-N 0 1 273.754 3.873 20 0 CHADMN CC(C)C[C@@H](CNC(CF)CF)c1ccccc1 ZINC000449382712 1124717041 /nfs/dbraw/zinc/71/70/41/1124717041.db2.gz YBOFWLMZYNMEGG-AWEZNQCLSA-N 0 1 255.352 3.714 20 0 CHADMN CC1(C)OCC[C@@H]1NCc1csc(Cl)c1Cl ZINC000449415817 1124721817 /nfs/dbraw/zinc/72/18/17/1124721817.db2.gz QCAUNROINWANBX-QMMMGPOBSA-N 0 1 280.220 3.712 20 0 CHADMN c1sc(CN2CC[C@@H]2C2CC2)nc1-c1ccccc1 ZINC000449423271 1124730141 /nfs/dbraw/zinc/73/01/41/1124730141.db2.gz AHBGDOVIQZGPQF-OAHLLOKOSA-N 0 1 270.401 3.794 20 0 CHADMN CCOc1cc(C[N@H+]2CC[C@H]2C2CC2)ccc1OC(F)F ZINC000449426828 1124733582 /nfs/dbraw/zinc/73/35/82/1124733582.db2.gz QJLTULZOFXLGEX-ZDUSSCGKSA-N 0 1 297.345 3.671 20 0 CHADMN Cc1cc2c(cn1)CN([C@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170944937 1131280362 /nfs/dbraw/zinc/28/03/62/1131280362.db2.gz UCOFVKAAHVIXJI-INIZCTEOSA-N 0 1 298.817 3.917 20 0 CHADMN CN(C)c1ccccc1CN[C@@H](c1ccccn1)C1CCC1 ZINC000528660346 1124735328 /nfs/dbraw/zinc/73/53/28/1124735328.db2.gz RYHSJCRYLRMVOQ-LJQANCHMSA-N 0 1 295.430 3.779 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN(C)[C@@H](CO)c2ccccc2)o1 ZINC000449454637 1124744842 /nfs/dbraw/zinc/74/48/42/1124744842.db2.gz PGTMJDHPXWFQFW-COXVUDFISA-N 0 1 285.387 3.568 20 0 CHADMN FCC1CCN(Cc2ncc(-c3ccccc3)s2)CC1 ZINC000449453178 1124745928 /nfs/dbraw/zinc/74/59/28/1124745928.db2.gz HLUNAHFVEOLKLH-UHFFFAOYSA-N 0 1 290.407 3.992 20 0 CHADMN C[C@@H](NCc1cccc(O)c1)c1ccc(C(F)(F)F)nc1 ZINC000873185215 1124746376 /nfs/dbraw/zinc/74/63/76/1124746376.db2.gz FBOJGAWBQCBKCW-SNVBAGLBSA-N 0 1 296.292 3.657 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(C(F)(F)F)nc2)cn1 ZINC000873184450 1124746835 /nfs/dbraw/zinc/74/68/35/1124746835.db2.gz BHQKYDIMRPHYLD-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN Oc1ccc(CNCc2scnc2C2CC2)cc1Cl ZINC000873179030 1124747327 /nfs/dbraw/zinc/74/73/27/1124747327.db2.gz JVKPRUUVCUQDHW-UHFFFAOYSA-N 0 1 294.807 3.669 20 0 CHADMN CC1(NCc2ccc(OC(F)F)cc2F)CC(F)(F)C1 ZINC000873197713 1124751591 /nfs/dbraw/zinc/75/15/91/1124751591.db2.gz PMBWVILGQNHVES-UHFFFAOYSA-N 0 1 295.251 3.705 20 0 CHADMN CC(C)c1ccc(CCNCc2nn(C)cc2Cl)cc1 ZINC000449475079 1124754685 /nfs/dbraw/zinc/75/46/85/1124754685.db2.gz DYPMPTHNHHNFMO-UHFFFAOYSA-N 0 1 291.826 3.529 20 0 CHADMN CSc1cc(-c2cc3[nH]nnc3cc2F)ccc1F ZINC001238966674 1131281665 /nfs/dbraw/zinc/28/16/65/1131281665.db2.gz VTKKGFXBBBPWIX-UHFFFAOYSA-N 0 1 277.299 3.625 20 0 CHADMN C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1cccc(F)c1 ZINC000449463587 1124758283 /nfs/dbraw/zinc/75/82/83/1124758283.db2.gz WJUHWFBNTXLCQR-CMPLNLGQSA-N 0 1 275.289 3.989 20 0 CHADMN c1cc(N2CCCC2)oc1CN1CC2(C1)CCCCC2 ZINC001137069983 1124758692 /nfs/dbraw/zinc/75/86/92/1124758692.db2.gz VOWFLHDQAIOVGU-UHFFFAOYSA-N 0 1 274.408 3.646 20 0 CHADMN CO[C@@H]1CCN(Cc2cccc(Cl)c2Cl)C[C@H]1C ZINC000449494823 1124759876 /nfs/dbraw/zinc/75/98/76/1124759876.db2.gz HBCXAHAGLHYNHV-ZWNOBZJWSA-N 0 1 288.218 3.850 20 0 CHADMN CCO[C@H]1CCN(Cc2ccsc2Cl)C[C@@H]1C ZINC000449493132 1124760633 /nfs/dbraw/zinc/76/06/33/1124760633.db2.gz DEGNSKGMRWVWCJ-JQWIXIFHSA-N 0 1 273.829 3.648 20 0 CHADMN CCO[C@H]1CCN(Cc2ccsc2Cl)C[C@H]1C ZINC000449493133 1124760716 /nfs/dbraw/zinc/76/07/16/1124760716.db2.gz DEGNSKGMRWVWCJ-PWSUYJOCSA-N 0 1 273.829 3.648 20 0 CHADMN CO[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000449492539 1124761198 /nfs/dbraw/zinc/76/11/98/1124761198.db2.gz CCEYSLUDPRAIDK-SMDDNHRTSA-N 0 1 287.325 3.562 20 0 CHADMN Cc1ccc([C@@H](NCc2cc(N)cc(F)c2)C2CCC2)o1 ZINC000873288392 1124761438 /nfs/dbraw/zinc/76/14/38/1124761438.db2.gz DORFCWHWBINVJM-KRWDZBQOSA-N 0 1 288.366 3.940 20 0 CHADMN CCOC[C@@H]1CN([C@@H](C)c2ccc3ccccc3c2)CCO1 ZINC000528717814 1124769846 /nfs/dbraw/zinc/76/98/46/1124769846.db2.gz GUSKRDYUIFJYRO-KXBFYZLASA-N 0 1 299.414 3.638 20 0 CHADMN CCO[C@@H]1CCN(Cc2cc3c(cccc3F)[nH]2)C[C@H]1C ZINC000449498828 1124772035 /nfs/dbraw/zinc/77/20/35/1124772035.db2.gz LTFBQHRNQNQNQE-SJKOYZFVSA-N 0 1 290.382 3.554 20 0 CHADMN CCOc1cc(C)c(-c2cccc3nc(C)[nH]c32)cn1 ZINC001238977680 1131283454 /nfs/dbraw/zinc/28/34/54/1131283454.db2.gz GGOSGJZFAGTQIN-UHFFFAOYSA-N 0 1 267.332 3.640 20 0 CHADMN COC(=O)c1cc2ccc(-c3coc4ccccc43)[nH]c-2n1 ZINC001239053334 1131295929 /nfs/dbraw/zinc/29/59/29/1131295929.db2.gz RSTUDJBVVAXOHC-UHFFFAOYSA-N 0 1 292.294 3.763 20 0 CHADMN CC(C)(O)/C=C/c1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC001239159955 1131304263 /nfs/dbraw/zinc/30/42/63/1131304263.db2.gz OYZFUPROSOCZAE-ZHACJKMWSA-N 0 1 293.410 3.987 20 0 CHADMN CC(C)n1cc(CN(C)Cc2cccc3cccnc32)cn1 ZINC001137079483 1124832096 /nfs/dbraw/zinc/83/20/96/1124832096.db2.gz MMWIBXXJGARKRZ-UHFFFAOYSA-N 0 1 294.402 3.644 20 0 CHADMN CCN(Cc1ccccc1)Cc1ccc(Cl)nc1 ZINC000020486411 1124842129 /nfs/dbraw/zinc/84/21/29/1124842129.db2.gz MSLMBYFEZSIARL-UHFFFAOYSA-N 0 1 260.768 3.757 20 0 CHADMN C/C(=C\c1ccccc1)CNCc1cnc(C2CC2)o1 ZINC000449696658 1124843007 /nfs/dbraw/zinc/84/30/07/1124843007.db2.gz ISQRGARDGNEUJQ-UKTHLTGXSA-N 0 1 268.360 3.745 20 0 CHADMN Cc1cnn(C)c1CN1CCC[C@@H]1c1ccc(F)cc1C ZINC000449731116 1124849061 /nfs/dbraw/zinc/84/90/61/1124849061.db2.gz HBXAOHRSXJDAEO-MRXNPFEDSA-N 0 1 287.382 3.513 20 0 CHADMN Cc1cccc2[nH]c(CN3CCC(F)(F)CC3)cc21 ZINC000825748518 1124852299 /nfs/dbraw/zinc/85/22/99/1124852299.db2.gz DHOABSQCVPFBKT-UHFFFAOYSA-N 0 1 264.319 3.707 20 0 CHADMN FC1(F)CCN(Cc2cc3ccncc3s2)CC1 ZINC000825749244 1124855506 /nfs/dbraw/zinc/85/55/06/1124855506.db2.gz PLVUPQYUXSQHJE-UHFFFAOYSA-N 0 1 268.332 3.527 20 0 CHADMN COC[C@H]1CCCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000449768683 1124865439 /nfs/dbraw/zinc/86/54/39/1124865439.db2.gz ASAULUVZDYADIQ-ZDUSSCGKSA-N 0 1 296.480 3.689 20 0 CHADMN C=C/C=C\CCN1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001168113200 1124874620 /nfs/dbraw/zinc/87/46/20/1124874620.db2.gz LESDZAXBWIMCOA-CWHGNCJQSA-N 0 1 263.406 3.642 20 0 CHADMN C[C@@H](NC/C=C\c1ccncc1)c1cccc(F)c1F ZINC000487532663 1124877232 /nfs/dbraw/zinc/87/72/32/1124877232.db2.gz CONVXWFFCBASFO-VSQXVHSFSA-N 0 1 274.314 3.724 20 0 CHADMN Cc1ccc2nc(CNC(=O)[C@@H]3CC[C@H](C)[C@H](C)C3)[nH]c2c1 ZINC000450011049 1124914431 /nfs/dbraw/zinc/91/44/31/1124914431.db2.gz UICVHPSXMHJYSL-BFHYXJOUSA-N 0 1 299.418 3.560 20 0 CHADMN Cc1cc2[nH]ccc2c(-c2cc(F)c(C(=O)[O-])c(F)c2)[nH+]1 ZINC001239336887 1131319163 /nfs/dbraw/zinc/31/91/63/1131319163.db2.gz LTQAZTLSXWFEPO-UHFFFAOYSA-N 0 1 288.253 3.515 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1ccncc1C ZINC000228662399 1124929491 /nfs/dbraw/zinc/92/94/91/1124929491.db2.gz XJBUSKGIFGHQLP-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN CCS[C@H](C)c1noc(CN(CC(C)C)CC(C)C)n1 ZINC000120410394 1124935698 /nfs/dbraw/zinc/93/56/98/1124935698.db2.gz BXMCSNHXXVCAFG-CYBMUJFWSA-N 0 1 299.484 3.998 20 0 CHADMN CCN(Cc1nc2ccccc2c(=O)[nH]1)CC1(C)CCCC1 ZINC000876532170 1124959455 /nfs/dbraw/zinc/95/94/55/1124959455.db2.gz YUVNFWBWSZQHES-UHFFFAOYSA-N 0 1 299.418 3.738 20 0 CHADMN Cc1ncc(CN(C)C[C@H]2CCCCC2(F)F)s1 ZINC000450272664 1124960970 /nfs/dbraw/zinc/96/09/70/1124960970.db2.gz YLJGMFGNRTYFNP-LLVKDONJSA-N 0 1 274.380 3.709 20 0 CHADMN CCCN(Cc1nnc(C(C)C)s1)CC(C)C ZINC000450299629 1124971030 /nfs/dbraw/zinc/97/10/30/1124971030.db2.gz BSBSBSVLZQSCPW-UHFFFAOYSA-N 0 1 255.431 3.530 20 0 CHADMN CCC1(CC)CC[N@@H+](Cc2cc3c(cc[nH]c3=O)o2)C1 ZINC000876725970 1124972630 /nfs/dbraw/zinc/97/26/30/1124972630.db2.gz RTMLUCAZBBHHCB-UHFFFAOYSA-N 0 1 274.364 3.546 20 0 CHADMN CSC(C)(C)CC[N@@H+](C)Cc1nc2ccccc2n1C ZINC000876730676 1124973177 /nfs/dbraw/zinc/97/31/77/1124973177.db2.gz JUVGTFHCDUHJEN-UHFFFAOYSA-N 0 1 291.464 3.537 20 0 CHADMN CSC(C)(C)CCN(C)Cc1nc2ccccc2n1C ZINC000876730676 1124973185 /nfs/dbraw/zinc/97/31/85/1124973185.db2.gz JUVGTFHCDUHJEN-UHFFFAOYSA-N 0 1 291.464 3.537 20 0 CHADMN Cc1ccc([C@H](NCc2ccc(Cl)nn2)C2CC2)cc1 ZINC000876920872 1124990044 /nfs/dbraw/zinc/99/00/44/1124990044.db2.gz DVGVHEGIPLXUSE-INIZCTEOSA-N 0 1 287.794 3.679 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H]3CCCCC3(F)F)ccc12 ZINC000450362592 1124993494 /nfs/dbraw/zinc/99/34/94/1124993494.db2.gz HZOBVHCIQWFMHC-GFCCVEGCSA-N 0 1 293.317 3.635 20 0 CHADMN Cc1ccc(OC[C@@H](C)NCc2nc(Cl)cs2)cc1 ZINC000876986924 1124995295 /nfs/dbraw/zinc/99/52/95/1124995295.db2.gz OVYYMGUDGPDUCD-LLVKDONJSA-N 0 1 296.823 3.662 20 0 CHADMN C[C@H](Nc1cc2c(cn1)CCCC2)C1CC(F)(F)C1 ZINC000529573648 1124999292 /nfs/dbraw/zinc/99/92/92/1124999292.db2.gz MWBCKWJRGHNHQG-JTQLQIEISA-N 0 1 266.335 3.806 20 0 CHADMN Cc1cccc(O[C@H](C)CNCc2nc(Cl)cs2)c1 ZINC000877042931 1125002011 /nfs/dbraw/zinc/00/20/11/1125002011.db2.gz CGTIRIGQMYNAFW-LLVKDONJSA-N 0 1 296.823 3.662 20 0 CHADMN CC(C)c1csc(CNC[C@@H]2CC2(Cl)Cl)n1 ZINC000877108291 1125009950 /nfs/dbraw/zinc/00/99/50/1125009950.db2.gz PYCXVFGLFLHDFX-QMMMGPOBSA-N 0 1 279.236 3.550 20 0 CHADMN Cc1cccc(C)c1CNCc1nc2ccccc2nc1C ZINC000877112795 1125010480 /nfs/dbraw/zinc/01/04/80/1125010480.db2.gz ZTGLBPCLZBBOKR-UHFFFAOYSA-N 0 1 291.398 3.845 20 0 CHADMN Cc1cccc([C@@H](C)N2CCO[C@H](c3ccco3)C2)c1 ZINC000120970485 1125014337 /nfs/dbraw/zinc/01/43/37/1125014337.db2.gz HVJNUGOVATWTBP-PBHICJAKSA-N 0 1 271.360 3.723 20 0 CHADMN CN(CCC1CC1)Cc1ccccc1Br ZINC000389940085 1125021167 /nfs/dbraw/zinc/02/11/67/1125021167.db2.gz OIQHALMFSUVGAJ-UHFFFAOYSA-N 0 1 268.198 3.681 20 0 CHADMN COc1ccc([C@@H]2CCCN2Cc2ccco2)c(OC)c1 ZINC000121010219 1125029077 /nfs/dbraw/zinc/02/90/77/1125029077.db2.gz BIFNVGJRAXVRTL-INIZCTEOSA-N 0 1 287.359 3.634 20 0 CHADMN c1ccc2oc(CNc3cc4c(cn3)CCCC4)nc2c1 ZINC000877544227 1125043326 /nfs/dbraw/zinc/04/33/26/1125043326.db2.gz NEOIECWNCHVYKN-UHFFFAOYSA-N 0 1 279.343 3.714 20 0 CHADMN Clc1nccc2oc(CNc3ccc4c(n3)CCC4)cc21 ZINC000877572728 1125046866 /nfs/dbraw/zinc/04/68/66/1125046866.db2.gz SCUSHFMEXVSYSM-UHFFFAOYSA-N 0 1 299.761 3.977 20 0 CHADMN CCC[C@H](O)CN(Cc1cccc(C)c1)Cc1ccccn1 ZINC000450561925 1125057081 /nfs/dbraw/zinc/05/70/81/1125057081.db2.gz GKKPYZFYGKMVNH-IBGZPJMESA-N 0 1 298.430 3.553 20 0 CHADMN CC[C@](C)(NCc1ccc(F)cn1)c1ccc(F)cc1 ZINC000877665669 1125061473 /nfs/dbraw/zinc/06/14/73/1125061473.db2.gz DMABTSQAVZGKTE-INIZCTEOSA-N 0 1 276.330 3.775 20 0 CHADMN Clc1ccc2nc(SCC[C@@H]3CCOC3)[nH]c2c1 ZINC000450580442 1125062092 /nfs/dbraw/zinc/06/20/92/1125062092.db2.gz FXTMEWXCILWZQK-VIFPVBQESA-N 0 1 282.796 3.735 20 0 CHADMN c1ccc(OC2CC2)c(CN2CCC[C@@H]2c2cccnc2)c1 ZINC000450624498 1125068306 /nfs/dbraw/zinc/06/83/06/1125068306.db2.gz AWVWEEFWCDODQW-GOSISDBHSA-N 0 1 294.398 3.960 20 0 CHADMN CC(C)c1nnc(CN2CC[C@@H](C)C[C@@H](C)C2)s1 ZINC000450607412 1125069900 /nfs/dbraw/zinc/06/99/00/1125069900.db2.gz HHGVMZLSAYHOCL-VXGBXAGGSA-N 0 1 267.442 3.530 20 0 CHADMN CC(C)(C)c1csc(CN2CC[C@H]3CSC[C@@H]3C2)n1 ZINC000877736277 1125070016 /nfs/dbraw/zinc/07/00/16/1125070016.db2.gz SOBYFOTWUJLTSI-RYUDHWBXSA-N 0 1 296.505 3.626 20 0 CHADMN Cc1cccc(Cl)c1CN(C)CCc1nccs1 ZINC000450614220 1125072857 /nfs/dbraw/zinc/07/28/57/1125072857.db2.gz ODLAPIWBPZORQR-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN C[C@@H]1COC[C@@H](c2ccccc2)N1C[C@H]1CCC(F)(F)C1 ZINC000450639363 1125076871 /nfs/dbraw/zinc/07/68/71/1125076871.db2.gz KOWVJQCVGPLKHB-YCPHGPKFSA-N 0 1 295.373 3.884 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN[C@H](C)c1ccnn1C ZINC000877763364 1125077024 /nfs/dbraw/zinc/07/70/24/1125077024.db2.gz WDPMBUOFRVZAKO-GFCCVEGCSA-N 0 1 277.799 3.541 20 0 CHADMN COc1cncc(CN(C)Cc2ccc3cc[nH]c3c2)c1C ZINC000877769765 1125077599 /nfs/dbraw/zinc/07/75/99/1125077599.db2.gz OHXJHCZAQYAMRV-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN COc1cc(CN[C@H](C)c2cccc(O)c2)ccc1Cl ZINC000450668378 1125082622 /nfs/dbraw/zinc/08/26/22/1125082622.db2.gz OJMVXVIOHSDZDX-LLVKDONJSA-N 0 1 291.778 3.905 20 0 CHADMN C[C@@H](N[C@@H](C)C(C)(C)c1ccccc1)c1csnn1 ZINC000450668434 1125082821 /nfs/dbraw/zinc/08/28/21/1125082821.db2.gz ORTGPATZACOOAI-NEPJUHHUSA-N 0 1 275.421 3.555 20 0 CHADMN Cc1cc(CNCc2ccc(C(F)(F)F)s2)sn1 ZINC000877806611 1125083864 /nfs/dbraw/zinc/08/38/64/1125083864.db2.gz QOJBVJDRHCTAIY-UHFFFAOYSA-N 0 1 292.351 3.822 20 0 CHADMN CC1(C)CCc2onc(CN[C@H]3CCC34CCC4)c2C1 ZINC000877810226 1125084087 /nfs/dbraw/zinc/08/40/87/1125084087.db2.gz RHVYCIQKLHZCIK-HNNXBMFYSA-N 0 1 274.408 3.612 20 0 CHADMN Cc1csc([C@@H]2CCN(Cc3cc(F)cc(F)c3)C2)n1 ZINC000877813648 1125085305 /nfs/dbraw/zinc/08/53/05/1125085305.db2.gz NKIHPJPFJXOLFC-GFCCVEGCSA-N 0 1 294.370 3.719 20 0 CHADMN Cc1conc1C[N@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000877891578 1125096248 /nfs/dbraw/zinc/09/62/48/1125096248.db2.gz AYRKTKMXYNRAHQ-MRXNPFEDSA-N 0 1 256.349 3.629 20 0 CHADMN Cc1conc1CN1CCC[C@@H]1c1ccc(C)cc1 ZINC000877891578 1125096257 /nfs/dbraw/zinc/09/62/57/1125096257.db2.gz AYRKTKMXYNRAHQ-MRXNPFEDSA-N 0 1 256.349 3.629 20 0 CHADMN COc1ccccc1-c1nc(CN2CCC(C)CC2)co1 ZINC000877934932 1125104228 /nfs/dbraw/zinc/10/42/28/1125104228.db2.gz IIMNWMSWTKQVHJ-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN COc1ccccc1-c1nc(C[N@H+]2CCCC[C@H]2C)co1 ZINC000877936542 1125104567 /nfs/dbraw/zinc/10/45/67/1125104567.db2.gz XPDGXQVTUJURAJ-CYBMUJFWSA-N 0 1 286.375 3.725 20 0 CHADMN COc1ccccc1-c1nc(CN2CCCC[C@H]2C)co1 ZINC000877936542 1125104569 /nfs/dbraw/zinc/10/45/69/1125104569.db2.gz XPDGXQVTUJURAJ-CYBMUJFWSA-N 0 1 286.375 3.725 20 0 CHADMN CS[C@H]1CCN([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000451324673 1125154088 /nfs/dbraw/zinc/15/40/88/1125154088.db2.gz ZFZAYMVFUODTMP-KOLCDFICSA-N 0 1 273.804 3.977 20 0 CHADMN C=C/C=C\CCN(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000878118683 1125121957 /nfs/dbraw/zinc/12/19/57/1125121957.db2.gz DJIOVEZMIJHLKF-XFHJGTJQSA-N 0 1 299.393 3.713 20 0 CHADMN Cc1cccc(Cl)c1C[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000530173061 1125129714 /nfs/dbraw/zinc/12/97/14/1125129714.db2.gz BPMYPCIZKPSVLP-CLLJXQQHSA-N 0 1 295.810 3.722 20 0 CHADMN Cc1ccc(C[N@@H+]2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)c(Cl)c1 ZINC000530173210 1125130112 /nfs/dbraw/zinc/13/01/12/1125130112.db2.gz NRBJZUUKFBMRHL-DABQJJPHSA-N 0 1 295.810 3.722 20 0 CHADMN Cc1cc(C)c(C[N@@H+]2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)c(C)c1 ZINC000530174569 1125130415 /nfs/dbraw/zinc/13/04/15/1125130415.db2.gz LUJQVZUDHBVZBC-MUJYYYPQSA-N 0 1 289.419 3.685 20 0 CHADMN CC(C)[C@H](O)CC[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000878204713 1125130597 /nfs/dbraw/zinc/13/05/97/1125130597.db2.gz WUXAFBLDPVYCKY-TZMCWYRMSA-N 0 1 292.448 3.696 20 0 CHADMN CC(C)[C@H](O)CCN(C)[C@H](C)c1nc2ccccc2s1 ZINC000878204713 1125130599 /nfs/dbraw/zinc/13/05/99/1125130599.db2.gz WUXAFBLDPVYCKY-TZMCWYRMSA-N 0 1 292.448 3.696 20 0 CHADMN CC[C@](C)(NC[C@H]1CCC(C)(C)CO1)c1nccs1 ZINC000878254467 1125135188 /nfs/dbraw/zinc/13/51/88/1125135188.db2.gz XHVDCDBNYDZQEV-DOMZBBRYSA-N 0 1 282.453 3.563 20 0 CHADMN CC1(C)CCC[C@@H](CNC2(c3nccs3)CCCC2)O1 ZINC000878261653 1125135610 /nfs/dbraw/zinc/13/56/10/1125135610.db2.gz KUXVBFPISKZJRR-ZDUSSCGKSA-N 0 1 294.464 3.850 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC[C@H](C)C1 ZINC000026463947 1125136145 /nfs/dbraw/zinc/13/61/45/1125136145.db2.gz NWPANRZVAFOCJS-GJZGRUSLSA-N 0 1 288.435 3.869 20 0 CHADMN Cc1conc1CN1CCC(C)(c2ccccc2)CC1 ZINC000878295780 1125138538 /nfs/dbraw/zinc/13/85/38/1125138538.db2.gz VWABUOFTLWFZQN-UHFFFAOYSA-N 0 1 270.376 3.537 20 0 CHADMN COC[C@@]1(C)CC[N@H+]([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000451203346 1125144351 /nfs/dbraw/zinc/14/43/51/1125144351.db2.gz PUJDIIOBDXDDHN-NHYWBVRUSA-N 0 1 285.790 3.899 20 0 CHADMN COC[C@@]1(C)CCN([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000451203346 1125144353 /nfs/dbraw/zinc/14/43/53/1125144353.db2.gz PUJDIIOBDXDDHN-NHYWBVRUSA-N 0 1 285.790 3.899 20 0 CHADMN C=C/C=C\CCN[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000878425636 1125153387 /nfs/dbraw/zinc/15/33/87/1125153387.db2.gz OVDFEWFIRDLHES-CFHLNLSMSA-N 0 1 299.374 3.528 20 0 CHADMN C=C/C=C\CCN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000878527225 1125159479 /nfs/dbraw/zinc/15/94/79/1125159479.db2.gz ZXIKIZPLXWLDLE-WBSSQXGSSA-N 0 1 276.327 3.945 20 0 CHADMN CC(=O)CCCCSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000121983687 1125164051 /nfs/dbraw/zinc/16/40/51/1125164051.db2.gz GQGBBHTWZGCRSI-UHFFFAOYSA-N 0 1 289.404 3.632 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@@H](C)c1cncc(F)c1 ZINC000121947071 1125164075 /nfs/dbraw/zinc/16/40/75/1125164075.db2.gz WPTQLZWJZWHNJL-ZBEGNZNMSA-N 0 1 286.350 3.567 20 0 CHADMN Cc1noc([C@@H]2CCC[N@@H+]2C[C@H](C)CC(C)(C)C)n1 ZINC000878613965 1125165567 /nfs/dbraw/zinc/16/55/67/1125165567.db2.gz APCCZNAPNZRGAN-YPMHNXCESA-N 0 1 265.401 3.587 20 0 CHADMN Cc1ccc(CN(C)C[C@H]2CC[C@H](c3ccccc3)O2)nc1 ZINC000878669266 1125171758 /nfs/dbraw/zinc/17/17/58/1125171758.db2.gz XDOINPVWQMJRLP-RTBURBONSA-N 0 1 296.414 3.742 20 0 CHADMN Cc1cc(N(C)Cc2cscn2)c2cc(F)ccc2n1 ZINC000122184333 1125177740 /nfs/dbraw/zinc/17/77/40/1125177740.db2.gz XCFASRMOMVACCP-UHFFFAOYSA-N 0 1 287.363 3.775 20 0 CHADMN CN(Cc1nc2ccccc2s1)[C@@H](CO)CC(C)(C)C ZINC000451785385 1125178906 /nfs/dbraw/zinc/17/89/06/1125178906.db2.gz VLAUTYREFAQYNF-GFCCVEGCSA-N 0 1 292.448 3.525 20 0 CHADMN CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000530925423 1125187279 /nfs/dbraw/zinc/18/72/79/1125187279.db2.gz VMSRRINVEIHPRX-CYBMUJFWSA-N 0 1 295.810 3.504 20 0 CHADMN CC(C)(C)OC(=O)[C@@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC000530925423 1125187284 /nfs/dbraw/zinc/18/72/84/1125187284.db2.gz VMSRRINVEIHPRX-CYBMUJFWSA-N 0 1 295.810 3.504 20 0 CHADMN CC(C)OC1CCN([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000531163485 1125198241 /nfs/dbraw/zinc/19/82/41/1125198241.db2.gz ARUVSDTYFKJPOL-LBPRGKRZSA-N 0 1 283.362 3.915 20 0 CHADMN CC[C@H](CNC(C)(C)c1nc2cc(Cl)ccc2o1)OC ZINC000879160121 1125200266 /nfs/dbraw/zinc/20/02/66/1125200266.db2.gz QTIPVQLGVLOCOE-LLVKDONJSA-N 0 1 296.798 3.731 20 0 CHADMN C[C@H]1CN(Cc2csc(C(C)(C)C)n2)C[C@H]1C ZINC000531210039 1125202437 /nfs/dbraw/zinc/20/24/37/1125202437.db2.gz DESZRTQLSRQHCL-PHIMTYICSA-N 0 1 252.427 3.528 20 0 CHADMN Fc1ccc(F)c(CN2CC[C@@H]2Cc2ccccc2)c1 ZINC000531233392 1125203800 /nfs/dbraw/zinc/20/38/00/1125203800.db2.gz OODWSCUZGRZRES-MRXNPFEDSA-N 0 1 273.326 3.782 20 0 CHADMN C[C@H](NCC=C(Cl)Cl)c1ccc2[nH]c(=O)oc2c1 ZINC000879377892 1125211738 /nfs/dbraw/zinc/21/17/38/1125211738.db2.gz XFWOUZPHHWUYFJ-ZETCQYMHSA-N 0 1 287.146 3.503 20 0 CHADMN O=C1CCC(CN2CCC[C@](F)(c3ccccc3)C2)CC1 ZINC000879477446 1125215660 /nfs/dbraw/zinc/21/56/60/1125215660.db2.gz HFHBHCKLMGNTKI-GOSISDBHSA-N 0 1 289.394 3.707 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]2c2ccccn2)cc1 ZINC000531440284 1125219354 /nfs/dbraw/zinc/21/93/54/1125219354.db2.gz CNGGBFVITFYXSP-MRXNPFEDSA-N 0 1 256.324 3.558 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@H]2CSC[C@H]2C1 ZINC000879559134 1125220042 /nfs/dbraw/zinc/22/00/42/1125220042.db2.gz NFRBTWYMXMFBCO-FRRDWIJNSA-N 0 1 294.464 3.718 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1nnc(-c2ccccc2Cl)o1 ZINC000123074149 1125222553 /nfs/dbraw/zinc/22/25/53/1125222553.db2.gz VIFNSZHFTMXGEY-GHMZBOCLSA-N 0 1 291.782 3.763 20 0 CHADMN FC[C@H](NC[C@@H]1CCC2(CCC2)O1)c1ccc(F)cc1 ZINC000879662056 1125224133 /nfs/dbraw/zinc/22/41/33/1125224133.db2.gz PKPSAAIOTSLRGE-GJZGRUSLSA-N 0 1 281.346 3.528 20 0 CHADMN FC(F)(F)[C@@H]1CC=CC[C@H]1NC/C(Cl)=C\Cl ZINC000879670987 1125224454 /nfs/dbraw/zinc/22/44/54/1125224454.db2.gz HGLBJLGXIBYJOY-LKJMDQPVSA-N 0 1 274.113 3.792 20 0 CHADMN CCc1noc(CC)c1CN[C@@H]1CCc2cccc(C)c21 ZINC000925247036 1125226343 /nfs/dbraw/zinc/22/63/43/1125226343.db2.gz PNULELOTUHGJRN-MRXNPFEDSA-N 0 1 284.403 3.885 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cc3cnccc3o2)c(C)n1 ZINC000879715091 1125227211 /nfs/dbraw/zinc/22/72/11/1125227211.db2.gz OYVNUBVXDRVBSO-CYBMUJFWSA-N 0 1 281.359 3.690 20 0 CHADMN Cc1cncc([C@@H]2CCC[N@H+]2C[C@H]2CC2(Cl)Cl)c1 ZINC000879748349 1125230436 /nfs/dbraw/zinc/23/04/36/1125230436.db2.gz HJZBQYHSZBZXRD-OLZOCXBDSA-N 0 1 285.218 3.721 20 0 CHADMN C[C@@H]1N(Cc2ccc(C(F)(F)F)cc2)CCOC1(C)C ZINC000532166504 1125236947 /nfs/dbraw/zinc/23/69/47/1125236947.db2.gz BROGUNUIVZTSPX-NSHDSACASA-N 0 1 287.325 3.705 20 0 CHADMN Cc1cc(C)c(C)c(OC(=O)c2cc3[nH]cnc3cc2F)c1 ZINC000821619762 1131341348 /nfs/dbraw/zinc/34/13/48/1131341348.db2.gz LTTJAMVRQIXQBD-UHFFFAOYSA-N 0 1 298.317 3.846 20 0 CHADMN Cc1cccc2c(C[N@@H+]3Cc4ccccc4C[C@@H]3C)[nH]nc21 ZINC001137149088 1125242132 /nfs/dbraw/zinc/24/21/32/1125242132.db2.gz DEZUWHUFAVFALC-AWEZNQCLSA-N 0 1 291.398 3.818 20 0 CHADMN Cc1cccc2c(CN3Cc4ccccc4C[C@@H]3C)[nH]nc21 ZINC001137149088 1125242136 /nfs/dbraw/zinc/24/21/36/1125242136.db2.gz DEZUWHUFAVFALC-AWEZNQCLSA-N 0 1 291.398 3.818 20 0 CHADMN CC(C)c1nc(CN2CC[C@H](C(C)C)C2)cs1 ZINC000532293495 1125247542 /nfs/dbraw/zinc/24/75/42/1125247542.db2.gz QJCSNRAROIMOPA-LBPRGKRZSA-N 0 1 252.427 3.744 20 0 CHADMN Cc1cccc([C@H](C)N2CCO[C@@H](C(F)(F)F)CC2)c1 ZINC000880047671 1125248138 /nfs/dbraw/zinc/24/81/38/1125248138.db2.gz WIJMCDUQLUVQPP-GXTWGEPZSA-N 0 1 287.325 3.709 20 0 CHADMN CC(C)(C)SCCCN1CCO[C@H](C(F)(F)F)CC1 ZINC000880052844 1125248209 /nfs/dbraw/zinc/24/82/09/1125248209.db2.gz YQCIFIKPAUQUPQ-NSHDSACASA-N 0 1 299.402 3.561 20 0 CHADMN c1cc2c(o1)CCC[C@H]2NCc1ccc2c(c1)OCCCO2 ZINC000193702589 1125252095 /nfs/dbraw/zinc/25/20/95/1125252095.db2.gz RINITIJAFLDAEP-OAHLLOKOSA-N 0 1 299.370 3.608 20 0 CHADMN Oc1c(Cl)cc(Cl)cc1/C=N/CCc1ccco1 ZINC000005292145 1125258119 /nfs/dbraw/zinc/25/81/19/1125258119.db2.gz UVDCFGMQDNEOKO-LZYBPNLTSA-N 0 1 284.142 3.954 20 0 CHADMN FC[C@H]1CCC[N@@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000880237905 1125258659 /nfs/dbraw/zinc/25/86/59/1125258659.db2.gz KNKZJDTZSDPICD-GFCCVEGCSA-N 0 1 292.329 3.662 20 0 CHADMN CCOC(=O)c1cc2ccc(-c3cccc(C)c3)[nH]c-2n1 ZINC001239487799 1131342991 /nfs/dbraw/zinc/34/29/91/1131342991.db2.gz QTHFZFVUBMJWSI-UHFFFAOYSA-N 0 1 280.327 3.715 20 0 CHADMN Cc1ccncc1CN1CCc2ccsc2[C@@H]1C ZINC000880376289 1125269342 /nfs/dbraw/zinc/26/93/42/1125269342.db2.gz FKRCBCYFEWYIIF-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN c1cc(CN2CCCSC[C@@H]2c2ccccc2)sn1 ZINC000880388144 1125271868 /nfs/dbraw/zinc/27/18/68/1125271868.db2.gz IOBIJRFEZOKLLM-OAHLLOKOSA-N 0 1 290.457 3.823 20 0 CHADMN CCN(Cc1ccoc1)Cc1cccc(OC(F)F)c1 ZINC000102407244 1125277572 /nfs/dbraw/zinc/27/75/72/1125277572.db2.gz UCVRTWNOKJBTSU-UHFFFAOYSA-N 0 1 281.302 3.903 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@]12CCCO2)c1ncc(C(C)(C)C)o1 ZINC000880514983 1125278175 /nfs/dbraw/zinc/27/81/75/1125278175.db2.gz GOYRZOBBPUMHRG-XNJGSVPQSA-N 0 1 292.423 3.724 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@@H](C)c1nccnc1C ZINC000872131853 1125286537 /nfs/dbraw/zinc/28/65/37/1125286537.db2.gz AKMXIDYWWVMQIX-RYUDHWBXSA-N 0 1 261.394 3.567 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN(C)Cc1cccc(=O)[nH]1 ZINC000897392129 1125288906 /nfs/dbraw/zinc/28/89/06/1125288906.db2.gz OAOKDYMLQZTVMN-UHFFFAOYSA-N 0 1 290.794 3.689 20 0 CHADMN CC(C)c1cnc(CN[C@@H]2CC23CCCC3)s1 ZINC000428536324 1125294875 /nfs/dbraw/zinc/29/48/75/1125294875.db2.gz LDYHOBKQLGVFRA-GFCCVEGCSA-N 0 1 250.411 3.689 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3c2cc(F)cc3F)nc1C ZINC000666157768 1125302626 /nfs/dbraw/zinc/30/26/26/1125302626.db2.gz FKNKYLXUZBQXJS-KRWDZBQOSA-N 0 1 288.341 3.754 20 0 CHADMN CO[C@@H](CN[C@H](c1ccc(C)cc1)c1ccccn1)C(C)C ZINC000828450485 1125306527 /nfs/dbraw/zinc/30/65/27/1125306527.db2.gz KPDXKEVLWSAWBF-RBUKOAKNSA-N 0 1 298.430 3.740 20 0 CHADMN CCCC1CCC(N(C)Cc2nc(C3CC3)no2)CC1 ZINC000191422300 1125325383 /nfs/dbraw/zinc/32/53/83/1125325383.db2.gz HINKNYZYGBTIGF-UHFFFAOYSA-N 0 1 277.412 3.738 20 0 CHADMN COc1cccc(F)c1[C@H](C)N[C@@H](C)[C@H]1CC1(F)F ZINC000666227929 1125334916 /nfs/dbraw/zinc/33/49/16/1125334916.db2.gz LGQUDYOTPJNBLU-LPEHRKFASA-N 0 1 273.298 3.529 20 0 CHADMN CC1(C2(NCc3ccsc3Br)CC2)CC1 ZINC000398180631 1125336768 /nfs/dbraw/zinc/33/67/68/1125336768.db2.gz MDIYBWNXGUNOSS-UHFFFAOYSA-N 0 1 286.238 3.933 20 0 CHADMN CSC[C@@H]1CCCN(Cc2cc(C)nc(Cl)c2)C1 ZINC000321327929 1125337935 /nfs/dbraw/zinc/33/79/35/1125337935.db2.gz OYMRQTOMOGBXGB-GFCCVEGCSA-N 0 1 284.856 3.618 20 0 CHADMN COc1ccc(Br)c(CN2C3CCC2CC3)c1 ZINC000398874229 1125338987 /nfs/dbraw/zinc/33/89/87/1125338987.db2.gz QRWXUBHRPOILSR-UHFFFAOYSA-N 0 1 296.208 3.585 20 0 CHADMN CC(C)(C)C(C)(C)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000508650056 1125347113 /nfs/dbraw/zinc/34/71/13/1125347113.db2.gz ILNSALNHFSTVIH-UHFFFAOYSA-N 0 1 277.343 3.713 20 0 CHADMN Cc1cc2c(cn1)C[N@H+]([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168187703 1125361157 /nfs/dbraw/zinc/36/11/57/1125361157.db2.gz HPWKWSRJBBYOKP-ZDUSSCGKSA-N 0 1 286.806 3.990 20 0 CHADMN Cc1cc2c(cn1)CN([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168187703 1125361158 /nfs/dbraw/zinc/36/11/58/1125361158.db2.gz HPWKWSRJBBYOKP-ZDUSSCGKSA-N 0 1 286.806 3.990 20 0 CHADMN CC[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1C ZINC000036834391 1125362913 /nfs/dbraw/zinc/36/29/13/1125362913.db2.gz BAODGJHXPDSMPU-CQSZACIVSA-N 0 1 294.826 3.851 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCOc2cc(F)ccc2C1 ZINC000626153402 1125364369 /nfs/dbraw/zinc/36/43/69/1125364369.db2.gz HSLUZNLPOUMABV-NSHDSACASA-N 0 1 287.325 3.702 20 0 CHADMN CC(C)c1c[nH]c(CN[C@@]2(C)CCCc3ccccc32)n1 ZINC000883003603 1125367592 /nfs/dbraw/zinc/36/75/92/1125367592.db2.gz XBMPQEPLEKKXRC-SFHVURJKSA-N 0 1 283.419 3.874 20 0 CHADMN C/C=C\C[C@@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000626160201 1125375774 /nfs/dbraw/zinc/37/57/74/1125375774.db2.gz CTUSPVHCCYYCGM-MPNWYJEXSA-N 0 1 297.402 3.915 20 0 CHADMN CC1=C(C)C[C@@H](c2nc(-c3ccn4cncc4c3)no2)CC1 ZINC000351357251 1125379740 /nfs/dbraw/zinc/37/97/40/1125379740.db2.gz BOJTVDZCALGJIB-AWEZNQCLSA-N 0 1 294.358 3.988 20 0 CHADMN c1nc(CCc2ccccc2)sc1CN1CC=CCC1 ZINC000648505042 1125382602 /nfs/dbraw/zinc/38/26/02/1125382602.db2.gz YKROLNVPOWFNRG-UHFFFAOYSA-N 0 1 284.428 3.690 20 0 CHADMN CC(C)c1nc([C@@H](C)NCCc2ccns2)cs1 ZINC000883247873 1125384259 /nfs/dbraw/zinc/38/42/59/1125384259.db2.gz ZUUYSURFSDVAHJ-SNVBAGLBSA-N 0 1 281.450 3.616 20 0 CHADMN Clc1ccc2nc(-c3cccc4nccnc43)[nH]c2c1 ZINC000228293883 1125385502 /nfs/dbraw/zinc/38/55/02/1125385502.db2.gz XKPCIBPEXADSFW-UHFFFAOYSA-N 0 1 280.718 3.827 20 0 CHADMN C=C/C=C\CCN[C@H](C)c1ncc(Br)s1 ZINC000883267666 1125389075 /nfs/dbraw/zinc/38/90/75/1125389075.db2.gz MUCPQSCVBYUUPM-XRVBUDJMSA-N 0 1 287.226 3.689 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@H+]1CCC12CC3CC(CC(C3)C1)C2 ZINC000042162461 1125391921 /nfs/dbraw/zinc/39/19/21/1125391921.db2.gz YEQWAASDSADIBN-KUNBBXKYSA-N 0 1 291.435 3.532 20 0 CHADMN c1cnc(C2(NC3CCC(C4CCC4)CC3)CCC2)nc1 ZINC000883311148 1125392999 /nfs/dbraw/zinc/39/29/99/1125392999.db2.gz PWMXKDPXYCEJIJ-UHFFFAOYSA-N 0 1 285.435 3.804 20 0 CHADMN CC(C)(NCc1cnccn1)c1ccc(C(F)(F)F)cc1 ZINC000883324300 1125396392 /nfs/dbraw/zinc/39/63/92/1125396392.db2.gz OVQNBPHFTAEENH-UHFFFAOYSA-N 0 1 295.308 3.520 20 0 CHADMN C[C@@H]1CCCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000475845095 1125396620 /nfs/dbraw/zinc/39/66/20/1125396620.db2.gz FMGVCVNEWJTHDG-CYBMUJFWSA-N 0 1 289.423 3.720 20 0 CHADMN COc1cccc2c1OCCC[C@@H]2N[C@@H](C)c1ccccn1 ZINC000883330879 1125397455 /nfs/dbraw/zinc/39/74/55/1125397455.db2.gz NZNVGUWJJIQVMT-BBRMVZONSA-N 0 1 298.386 3.655 20 0 CHADMN CCCO[C@@H]1CCC[N@@H+](Cc2cccnc2Cl)CC1 ZINC000170989319 1125397963 /nfs/dbraw/zinc/39/79/63/1125397963.db2.gz JKCCORAHDYUWPT-CQSZACIVSA-N 0 1 282.815 3.516 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2cccnc2Cl)CC1 ZINC000170989319 1125397965 /nfs/dbraw/zinc/39/79/65/1125397965.db2.gz JKCCORAHDYUWPT-CQSZACIVSA-N 0 1 282.815 3.516 20 0 CHADMN Cn1ccnc1CN1CCCCC[C@@H]1c1ccccc1 ZINC000171109629 1125403431 /nfs/dbraw/zinc/40/34/31/1125403431.db2.gz IHQMPBQYJGKQCY-MRXNPFEDSA-N 0 1 269.392 3.537 20 0 CHADMN COc1cc([C@@H](C)NCc2ccoc2)ccc1OC(F)F ZINC000171128929 1125403794 /nfs/dbraw/zinc/40/37/94/1125403794.db2.gz DWTCBFMRGKOXFS-SNVBAGLBSA-N 0 1 297.301 3.740 20 0 CHADMN Cc1cc(C)cc([C@H](O)C[N@@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000757116031 1125405959 /nfs/dbraw/zinc/40/59/59/1125405959.db2.gz BRULKOMIVWYOQS-OAHLLOKOSA-N 0 1 299.336 3.531 20 0 CHADMN Cc1cc(C)cc([C@H](O)CN2CC=C(C(F)(F)F)CC2)c1 ZINC000757116031 1125405962 /nfs/dbraw/zinc/40/59/62/1125405962.db2.gz BRULKOMIVWYOQS-OAHLLOKOSA-N 0 1 299.336 3.531 20 0 CHADMN CCCOc1ccc(CN(C)Cc2cccc(O)c2)cc1 ZINC000532501486 1125408056 /nfs/dbraw/zinc/40/80/56/1125408056.db2.gz IQSMPDCBORWVKL-UHFFFAOYSA-N 0 1 285.387 3.813 20 0 CHADMN C[C@H](C(=O)Nc1ccccc1)N(C)C[C@@H](C)c1ccccc1 ZINC000532518489 1125409361 /nfs/dbraw/zinc/40/93/61/1125409361.db2.gz DWSZSLRGNWJVMW-HZPDHXFCSA-N 0 1 296.414 3.749 20 0 CHADMN CC(C)(C)c1cnc(CN2CCCCC[C@@H]2CCO)s1 ZINC000342822205 1125409392 /nfs/dbraw/zinc/40/93/92/1125409392.db2.gz KBZLGNNCPKXWOS-CYBMUJFWSA-N 0 1 296.480 3.568 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000883407846 1125409419 /nfs/dbraw/zinc/40/94/19/1125409419.db2.gz GSHKWSUOZWRIGV-STQMWFEESA-N 0 1 289.366 3.531 20 0 CHADMN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C ZINC000532549392 1125409786 /nfs/dbraw/zinc/40/97/86/1125409786.db2.gz AWSCYKXUKYVQPE-GJZGRUSLSA-N 0 1 290.451 3.539 20 0 CHADMN CCc1cc(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)n[nH]1 ZINC000032354028 1125420906 /nfs/dbraw/zinc/42/09/06/1125420906.db2.gz PWYQLNYXDULBGA-LLVKDONJSA-N 0 1 297.358 3.552 20 0 CHADMN Cc1ccc(F)c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1F ZINC001168235724 1125421789 /nfs/dbraw/zinc/42/17/89/1125421789.db2.gz XKCIJDUOOFZKCW-CQSZACIVSA-N 0 1 295.373 3.522 20 0 CHADMN CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cccc2nc[nH]c21 ZINC000532606479 1125425180 /nfs/dbraw/zinc/42/51/80/1125425180.db2.gz LJRRIHUEWHNTCI-OCCSQVGLSA-N 0 1 285.391 3.652 20 0 CHADMN c1c(CNC2(c3ccccc3)CC2)[nH]nc1-c1ccccc1 ZINC000532615521 1125428356 /nfs/dbraw/zinc/42/83/56/1125428356.db2.gz YUPDWNYJHTWESU-UHFFFAOYSA-N 0 1 289.382 3.856 20 0 CHADMN CCN(Cc1ccccn1)[C@H](C)c1cccc(F)c1 ZINC000104949225 1125434081 /nfs/dbraw/zinc/43/40/81/1125434081.db2.gz DNQGXDLFCJBFCK-CYBMUJFWSA-N 0 1 258.340 3.804 20 0 CHADMN CCOc1cc(CN2CCC[C@H]2C)cc(Cl)c1OC ZINC000124284090 1125436352 /nfs/dbraw/zinc/43/63/52/1125436352.db2.gz JZFGXJXCYLVZIO-LLVKDONJSA-N 0 1 283.799 3.732 20 0 CHADMN CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000042356114 1125440910 /nfs/dbraw/zinc/44/09/10/1125440910.db2.gz XQIULYIVUBFLIW-CHWSQXEVSA-N 0 1 294.464 3.578 20 0 CHADMN CCC(C)(C)NC(=O)[C@@H](C)N1CCC[C@@H]1c1cccs1 ZINC000042356114 1125440913 /nfs/dbraw/zinc/44/09/13/1125440913.db2.gz XQIULYIVUBFLIW-CHWSQXEVSA-N 0 1 294.464 3.578 20 0 CHADMN CSCc1cc(F)ccc1CN[C@H](C)c1cccnc1 ZINC000124888670 1125442562 /nfs/dbraw/zinc/44/25/62/1125442562.db2.gz JSLMINHGVSGIKA-GFCCVEGCSA-N 0 1 290.407 3.935 20 0 CHADMN FC(F)Oc1ccc(CSc2nc(C3CC3)n[nH]2)cc1 ZINC000124967379 1125443744 /nfs/dbraw/zinc/44/37/44/1125443744.db2.gz DRQRLBLOZRZUQY-UHFFFAOYSA-N 0 1 297.330 3.576 20 0 CHADMN FC(F)Oc1ccc(CSc2n[nH]c(C3CC3)n2)cc1 ZINC000124967379 1125443745 /nfs/dbraw/zinc/44/37/45/1125443745.db2.gz DRQRLBLOZRZUQY-UHFFFAOYSA-N 0 1 297.330 3.576 20 0 CHADMN Clc1cccc(Cl)c1CNC[C@H]1CCC=CO1 ZINC000379970849 1125444653 /nfs/dbraw/zinc/44/46/53/1125444653.db2.gz MGAFUSYAELQNFK-SNVBAGLBSA-N 0 1 272.175 3.776 20 0 CHADMN Cc1ccccc1[C@@H](C(C)C)N(C)Cc1cc[nH]n1 ZINC000125124029 1125445421 /nfs/dbraw/zinc/44/54/21/1125445421.db2.gz JOQKDUOFCIZTCQ-MRXNPFEDSA-N 0 1 257.381 3.547 20 0 CHADMN CN(Cc1cccn1C)Cc1cccc(C(F)(F)F)c1 ZINC000125649620 1125450770 /nfs/dbraw/zinc/45/07/70/1125450770.db2.gz WJZXNESAUGPEBJ-UHFFFAOYSA-N 0 1 282.309 3.676 20 0 CHADMN CCn1nccc1CN(C1CC1)[C@H]1CCc2ccccc21 ZINC000126273408 1125453828 /nfs/dbraw/zinc/45/38/28/1125453828.db2.gz NJFSTSDBHNYTNC-SFHVURJKSA-N 0 1 281.403 3.555 20 0 CHADMN CC(C)N(Cc1ccccc1)Cc1cnc(C2CC2)nc1 ZINC000459274124 1125455265 /nfs/dbraw/zinc/45/52/65/1125455265.db2.gz AFKDDYZAVAUOSC-UHFFFAOYSA-N 0 1 281.403 3.765 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](NCc1cnn(C)c1)CCCO2 ZINC000126586966 1125456109 /nfs/dbraw/zinc/45/61/09/1125456109.db2.gz BVCRBTUZQWGCKM-KRWDZBQOSA-N 0 1 299.418 3.547 20 0 CHADMN Cc1ccc(CN(Cc2ccc3c(c2)OCCO3)C2CC2)o1 ZINC000621624884 1129180907 /nfs/dbraw/zinc/18/09/07/1129180907.db2.gz VMTZGRLAPFDBMM-UHFFFAOYSA-N 0 1 299.370 3.524 20 0 CHADMN Cc1nccnc1CN1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000621718726 1129185676 /nfs/dbraw/zinc/18/56/76/1129185676.db2.gz RHZDRWKTPIULDP-SJKOYZFVSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1nccnc1CN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000621730810 1129187523 /nfs/dbraw/zinc/18/75/23/1129187523.db2.gz VRORXBCMGFWLJG-SFHVURJKSA-N 0 1 293.414 3.902 20 0 CHADMN CCN(Cc1cn2cccc(C)c2n1)Cc1ccc(C)cc1 ZINC000621731787 1129187974 /nfs/dbraw/zinc/18/79/74/1129187974.db2.gz QHQNJPVMEYBOLG-UHFFFAOYSA-N 0 1 293.414 3.973 20 0 CHADMN Cc1[nH]ncc1CN(C)C(=O)[C@@H](CC(C)C)c1ccccc1 ZINC000636067519 1129197771 /nfs/dbraw/zinc/19/77/71/1129197771.db2.gz UQSPTHGRUROUHU-KRWDZBQOSA-N 0 1 299.418 3.506 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)N(C)Cc1cn[nH]c1C)c1ccccc1 ZINC000636067783 1129198158 /nfs/dbraw/zinc/19/81/58/1129198158.db2.gz XKQZBAIIGPSECS-CXAGYDPISA-N 0 1 299.418 3.506 20 0 CHADMN C[C@@]1(C2CCCCC2)CCN1C(=O)c1ccc2cncn2c1 ZINC000636384374 1129201729 /nfs/dbraw/zinc/20/17/29/1129201729.db2.gz KOZGCZYPNULWLR-SFHVURJKSA-N 0 1 297.402 3.519 20 0 CHADMN CCCC[C@H](C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1)C(C)C ZINC000621935797 1129206836 /nfs/dbraw/zinc/20/68/36/1129206836.db2.gz JHDHLLPLNFQSLU-OLZOCXBDSA-N 0 1 294.443 3.568 20 0 CHADMN CCc1ccc([C@@H](CC(C)C)NCc2ccn(C)n2)cc1 ZINC000795302796 1129214497 /nfs/dbraw/zinc/21/44/97/1129214497.db2.gz OILOIMVPKWNBCS-GOSISDBHSA-N 0 1 285.435 3.860 20 0 CHADMN O=C([O-])C[N@@H+](CCCCc1cccc(Cl)c1)C1CCC1 ZINC000622002054 1129217433 /nfs/dbraw/zinc/21/74/33/1129217433.db2.gz TUHCZFAPEGZDCZ-UHFFFAOYSA-N 0 1 295.810 3.602 20 0 CHADMN COC1CCC(=Nc2ncc(C)cc2Br)CC1 ZINC001212872261 1129219586 /nfs/dbraw/zinc/21/95/86/1129219586.db2.gz RABFMUSLSHJFOC-LLVKDONJSA-N 0 1 297.196 3.647 20 0 CHADMN C[C@H](NC[C@H]1CCC=CO1)c1c(F)cccc1Cl ZINC000194498627 1129221870 /nfs/dbraw/zinc/22/18/70/1129221870.db2.gz FAVJXSMXEMFYSG-WDEREUQCSA-N 0 1 269.747 3.822 20 0 CHADMN C[C@H]1CCN(Cc2sc3ccccc3c2Cl)C[C@H]1O ZINC000299901668 1129231295 /nfs/dbraw/zinc/23/12/95/1129231295.db2.gz CXMUHVYNQFDVNX-CMPLNLGQSA-N 0 1 295.835 3.757 20 0 CHADMN CN(Cc1ccccc1)Cc1ccc(C(F)F)nc1 ZINC000637810500 1129231331 /nfs/dbraw/zinc/23/13/31/1129231331.db2.gz HNFXONMGQPNJPI-UHFFFAOYSA-N 0 1 262.303 3.651 20 0 CHADMN CCSCC[C@@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000336897522 1129234085 /nfs/dbraw/zinc/23/40/85/1129234085.db2.gz PIMMUVAAFAIBOV-SNVBAGLBSA-N 0 1 273.829 3.667 20 0 CHADMN COc1cc(Cl)cc(C[N@H+](C)C(C2CC2)C2CC2)c1[O-] ZINC000184685067 1129234127 /nfs/dbraw/zinc/23/41/27/1129234127.db2.gz DNNKYNPZGQQPKF-UHFFFAOYSA-N 0 1 295.810 3.675 20 0 CHADMN COc1cc(Cl)cc(C[N@@H+](C)C(C2CC2)C2CC2)c1[O-] ZINC000184685067 1129234130 /nfs/dbraw/zinc/23/41/30/1129234130.db2.gz DNNKYNPZGQQPKF-UHFFFAOYSA-N 0 1 295.810 3.675 20 0 CHADMN Cn1c(CN2CCC[C@@H]2c2ccccn2)cc2ccccc21 ZINC000637913527 1129236654 /nfs/dbraw/zinc/23/66/54/1129236654.db2.gz QFGFBKUNDZTBJE-LJQANCHMSA-N 0 1 291.398 3.910 20 0 CHADMN COc1c(Cl)cccc1CN[C@@H](C)c1ccncc1 ZINC000901652479 1129237269 /nfs/dbraw/zinc/23/72/69/1129237269.db2.gz JBFPPPHJGNMTKW-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN CC(C)CCc1nnc(-c2ccc(Cl)cc2O)o1 ZINC001258350354 1129239711 /nfs/dbraw/zinc/23/97/11/1129239711.db2.gz DMRNDPFJUQTTKY-UHFFFAOYSA-N 0 1 266.728 3.684 20 0 CHADMN Cc1ncc([C@H](C)N2CCc3ccccc3[C@@H]2C)c(C)n1 ZINC000638039423 1129241044 /nfs/dbraw/zinc/24/10/44/1129241044.db2.gz WDEWYSQDPVTZTO-KBPBESRZSA-N 0 1 281.403 3.774 20 0 CHADMN Cc1ncc([C@H](C)N2C[C@@H](C)[C@H]2c2ccccc2)c(C)n1 ZINC000638153190 1129245604 /nfs/dbraw/zinc/24/56/04/1129245604.db2.gz HXTKHTGMRSGSMV-IAISJRAMSA-N 0 1 281.403 3.847 20 0 CHADMN Cc1ccc(SCCNCc2cc(C3CC3)no2)cc1 ZINC000638304445 1129253764 /nfs/dbraw/zinc/25/37/64/1129253764.db2.gz GRELTZSGOAMKMW-UHFFFAOYSA-N 0 1 288.416 3.742 20 0 CHADMN CCCCOc1cccc(CNCc2cc(C)ns2)c1 ZINC000638374813 1129256089 /nfs/dbraw/zinc/25/60/89/1129256089.db2.gz AOSUDDJHSPLMGX-UHFFFAOYSA-N 0 1 290.432 3.920 20 0 CHADMN Cc1ccc(F)cc1CNCc1cnc(Cl)s1 ZINC000718201338 1129258971 /nfs/dbraw/zinc/25/89/71/1129258971.db2.gz RWZIEKFFPFWVPD-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN Cn1ccnc1[C@H](NC1(c2ccccc2)CCC1)C1CC1 ZINC000638456780 1129259483 /nfs/dbraw/zinc/25/94/83/1129259483.db2.gz OHAACIMTDZARMH-MRXNPFEDSA-N 0 1 281.403 3.540 20 0 CHADMN CC[C@@H](NCc1nc2ccccc2nc1C)c1ccncc1 ZINC000638678951 1129265558 /nfs/dbraw/zinc/26/55/58/1129265558.db2.gz WDNYIYVGSCEYID-OAHLLOKOSA-N 0 1 292.386 3.574 20 0 CHADMN Cc1cccc(C(C)(C)N[C@@H](c2nccn2C)C2CC2)c1 ZINC000638667893 1129265715 /nfs/dbraw/zinc/26/57/15/1129265715.db2.gz NUAKTCYRNFNZQY-MRXNPFEDSA-N 0 1 283.419 3.705 20 0 CHADMN CCC(CC)c1cc(CN[C@@H]2CS[C@@H](C)C2)on1 ZINC000638689591 1129266187 /nfs/dbraw/zinc/26/61/87/1129266187.db2.gz MHBMKWJYSJLGJG-JQWIXIFHSA-N 0 1 268.426 3.562 20 0 CHADMN C[C@@H](C1CC1)N(Cc1ccn(-c2cccc(F)c2)n1)C1CC1 ZINC000622586171 1129267233 /nfs/dbraw/zinc/26/72/33/1129267233.db2.gz BIAGKFLUOMCBAK-ZDUSSCGKSA-N 0 1 299.393 3.774 20 0 CHADMN C[C@@H](NCc1nc2ccccc2n1C1CC1)[C@@H]1CC1(F)F ZINC000639048657 1129277853 /nfs/dbraw/zinc/27/78/53/1129277853.db2.gz WRNDENGMCUZOQS-PWSUYJOCSA-N 0 1 291.345 3.505 20 0 CHADMN C[C@H](NCc1nc2ccccc2n1C1CC1)[C@@H]1CC1(F)F ZINC000639048656 1129277949 /nfs/dbraw/zinc/27/79/49/1129277949.db2.gz WRNDENGMCUZOQS-JQWIXIFHSA-N 0 1 291.345 3.505 20 0 CHADMN CC[C@](C)(CN[C@@H](c1ccc(C)cc1)c1ccccn1)OC ZINC000639121045 1129283894 /nfs/dbraw/zinc/28/38/94/1129283894.db2.gz XJJIFIUEBMDHCR-RBUKOAKNSA-N 0 1 298.430 3.884 20 0 CHADMN Cc1cnc(CN[C@H]2CC[C@H](c3cccc(F)c3)C2)o1 ZINC000639126504 1129284888 /nfs/dbraw/zinc/28/48/88/1129284888.db2.gz FMDFAVJIAQUIDY-ZFWWWQNUSA-N 0 1 274.339 3.548 20 0 CHADMN C[C@@H](C(=O)OCc1ccccc1Cl)N1CCCCCC1 ZINC000733908405 1129284974 /nfs/dbraw/zinc/28/49/74/1129284974.db2.gz CBQZZAOIHFIBPV-ZDUSSCGKSA-N 0 1 295.810 3.648 20 0 CHADMN Cn1ccnc1[C@H](C1CC1)[N@@H+](C)C(C)(C)c1ccccc1 ZINC000639147689 1129286356 /nfs/dbraw/zinc/28/63/56/1129286356.db2.gz VEXDDHSRKSQEFW-INIZCTEOSA-N 0 1 283.419 3.738 20 0 CHADMN CN([C@H](c1nccn1C)C1CC1)C(C)(C)c1ccccc1 ZINC000639147689 1129286359 /nfs/dbraw/zinc/28/63/59/1129286359.db2.gz VEXDDHSRKSQEFW-INIZCTEOSA-N 0 1 283.419 3.738 20 0 CHADMN c1ccc([C@H]2C[C@H](NCc3nc4ccccc4o3)C2)cc1 ZINC000639142890 1129286983 /nfs/dbraw/zinc/28/69/83/1129286983.db2.gz FBPSIYFGRWEKJP-SHTZXODSSA-N 0 1 278.355 3.864 20 0 CHADMN FC(F)c1ccnc(CNC2CCC(=C3CCC3)CC2)n1 ZINC000639184708 1129290598 /nfs/dbraw/zinc/29/05/98/1129290598.db2.gz XMFBDBMRVSTFSA-UHFFFAOYSA-N 0 1 293.361 3.927 20 0 CHADMN CC(C)c1cnc(CN(C)[C@@H]2CCc3ccccc3C2)o1 ZINC000734003199 1129291198 /nfs/dbraw/zinc/29/11/98/1129291198.db2.gz YRWFEICBWOJDCL-MRXNPFEDSA-N 0 1 284.403 3.787 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](c2nccn2C)C2CC2)ccc1F ZINC000639218325 1129294137 /nfs/dbraw/zinc/29/41/37/1129294137.db2.gz YSCMYNOOBZDGSE-WBMJQRKESA-N 0 1 287.382 3.670 20 0 CHADMN Nc1c(F)cccc1CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000639272222 1129298912 /nfs/dbraw/zinc/29/89/12/1129298912.db2.gz HAGJTPFKPDGSCY-JTQLQIEISA-N 0 1 290.304 3.572 20 0 CHADMN COc1cccc(C)c1CNCc1cccc(C)c1OC ZINC000639311937 1129301206 /nfs/dbraw/zinc/30/12/06/1129301206.db2.gz ICRDBTOSGNHOFV-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)NC[C@@H](C)C(C)(C)C)o1 ZINC000734335740 1129302505 /nfs/dbraw/zinc/30/25/05/1129302505.db2.gz GSOSNFQIOCPFAY-CYBMUJFWSA-N 0 1 294.439 3.533 20 0 CHADMN CCn1nc(C)c(CN(C)C/C=C\c2ccccc2)c1C ZINC000639360441 1129305942 /nfs/dbraw/zinc/30/59/42/1129305942.db2.gz KJVGRKVWUDJDBY-XFXZXTDPSA-N 0 1 283.419 3.665 20 0 CHADMN CCc1ccc(CN2CC[C@H](O)C[C@H]2c2ccccc2)o1 ZINC000639366364 1129308176 /nfs/dbraw/zinc/30/81/76/1129308176.db2.gz KCRUGYPNVMVXEG-YJBOKZPZSA-N 0 1 285.387 3.540 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H](C)c2csc3ccccc32)c1C ZINC000734435701 1129308832 /nfs/dbraw/zinc/30/88/32/1129308832.db2.gz RJIXWWAYEZLDCO-LLVKDONJSA-N 0 1 299.399 3.732 20 0 CHADMN COc1ccc(-c2ccncc2)cc1CN1CC(C)(C)C1 ZINC000639393350 1129310828 /nfs/dbraw/zinc/31/08/28/1129310828.db2.gz KCRHWNNVRZJISU-UHFFFAOYSA-N 0 1 282.387 3.599 20 0 CHADMN CC(C)n1ccnc1CN(C)C[C@@H](C)C(C)(C)C ZINC000639399686 1129310925 /nfs/dbraw/zinc/31/09/25/1129310925.db2.gz SFFOHEQKMINLQD-CYBMUJFWSA-N 0 1 251.418 3.578 20 0 CHADMN C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000639510668 1129320667 /nfs/dbraw/zinc/32/06/67/1129320667.db2.gz HGSDJKKEWNMRMR-LNSITVRQSA-N 0 1 265.784 3.512 20 0 CHADMN CCCCCN(CN1C(=O)C[C@@H]1c1ccccc1)C(C)C ZINC000734829026 1129323458 /nfs/dbraw/zinc/32/34/58/1129323458.db2.gz FKMZGJMSVOHJHB-QGZVFWFLSA-N 0 1 288.435 3.818 20 0 CHADMN O=C(CN[C@@H](c1ccccc1)C1CC1)c1ccccc1F ZINC000639567563 1129323701 /nfs/dbraw/zinc/32/37/01/1129323701.db2.gz AGKFITBVPMPVPL-SFHVURJKSA-N 0 1 283.346 3.749 20 0 CHADMN FC(F)c1ccc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000639778752 1129332634 /nfs/dbraw/zinc/33/26/34/1129332634.db2.gz SSZRHLVHCJSWRF-CQSZACIVSA-N 0 1 277.318 3.684 20 0 CHADMN CC(C)Oc1cccc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000639782299 1129332738 /nfs/dbraw/zinc/33/27/38/1129332738.db2.gz TXJPZIJWMKZFBF-KRWDZBQOSA-N 0 1 285.391 3.534 20 0 CHADMN CC(C)Oc1cccc(CN2CCC[C@H]2c2cn[nH]c2)c1 ZINC000639782299 1129332742 /nfs/dbraw/zinc/33/27/42/1129332742.db2.gz TXJPZIJWMKZFBF-KRWDZBQOSA-N 0 1 285.391 3.534 20 0 CHADMN FC(F)c1ccc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000639778750 1129333588 /nfs/dbraw/zinc/33/35/88/1129333588.db2.gz SSZRHLVHCJSWRF-AWEZNQCLSA-N 0 1 277.318 3.684 20 0 CHADMN COc1ccccc1[C@H](N[C@@H]1CC[C@@H](C)C1)c1ccccn1 ZINC000090913340 1129334732 /nfs/dbraw/zinc/33/47/32/1129334732.db2.gz HTBWJJGFQMDFIZ-CLCXKQKWSA-N 0 1 296.414 3.958 20 0 CHADMN C[C@@H](N)c1nc(-c2nc([C@@H]3CCC[C@@H](C)C3)no2)cs1 ZINC000090938868 1129335986 /nfs/dbraw/zinc/33/59/86/1129335986.db2.gz YGLKEVHTFFOHLY-OPRDCNLKSA-N 0 1 292.408 3.507 20 0 CHADMN c1ccc(CCCCN2CCC[C@@H]2c2ncccn2)cc1 ZINC000639874440 1129338063 /nfs/dbraw/zinc/33/80/63/1129338063.db2.gz YPSAVRZACDIQMB-QGZVFWFLSA-N 0 1 281.403 3.636 20 0 CHADMN CCC(N)=NOCC/C=C\c1ccc(Br)cc1 ZINC000735303313 1129338838 /nfs/dbraw/zinc/33/88/38/1129338838.db2.gz PFXUPUBEEOPLMJ-HYXAFXHYSA-N 0 1 297.196 3.761 20 0 CHADMN FCCC1CCN(Cc2nc3ccccc3s2)CC1 ZINC000639988261 1129343122 /nfs/dbraw/zinc/34/31/22/1129343122.db2.gz ZHKCMKBOYQSTNR-UHFFFAOYSA-N 0 1 278.396 3.868 20 0 CHADMN c1ccc2c(c1)CCC[C@H]2NCc1nc2c(s1)CCC2 ZINC000719563733 1129344950 /nfs/dbraw/zinc/34/49/50/1129344950.db2.gz YCIBHHPPIMOIHF-CQSZACIVSA-N 0 1 284.428 3.799 20 0 CHADMN Cc1nsc(C)c1CN[C@H](C)c1ccccc1C ZINC000640059772 1129346741 /nfs/dbraw/zinc/34/67/41/1129346741.db2.gz GMWOFBCZNBPELY-LLVKDONJSA-N 0 1 260.406 3.919 20 0 CHADMN Cc1cnc(CCN[C@H](CF)c2ccc(F)cc2)c(C)c1 ZINC000640155325 1129350789 /nfs/dbraw/zinc/35/07/89/1129350789.db2.gz UDZDBBCHDFEPEA-QGZVFWFLSA-N 0 1 290.357 3.680 20 0 CHADMN CCc1n[nH]cc1-c1nc(-c2cc(C)cc(Cl)c2)no1 ZINC001212885519 1129357786 /nfs/dbraw/zinc/35/77/86/1129357786.db2.gz LLIPWLNTPGZOIR-UHFFFAOYSA-N 0 1 288.738 3.651 20 0 CHADMN C[C@@H]1CN(Cn2cccnc2=S)CC[C@H]1c1ccccc1 ZINC000247234186 1129361810 /nfs/dbraw/zinc/36/18/10/1129361810.db2.gz XFKOUXSXDHLBNV-GDBMZVCRSA-N 0 1 299.443 3.696 20 0 CHADMN CC(C)(C)[C@H](NCc1ccc(CO)o1)c1cccc(F)c1 ZINC000178614574 1129370937 /nfs/dbraw/zinc/37/09/37/1129370937.db2.gz OYXYYZPRYBAOCQ-MRXNPFEDSA-N 0 1 291.366 3.788 20 0 CHADMN CCOC(=O)c1cc2ccc(-c3cccc(F)c3)[nH]c-2n1 ZINC001239533779 1131369820 /nfs/dbraw/zinc/36/98/20/1131369820.db2.gz UWIDOURGFCPYMY-UHFFFAOYSA-N 0 1 284.290 3.546 20 0 CHADMN FC(F)C(F)(F)CN1CCC2(CCCCC2)CC1 ZINC000736620297 1129377482 /nfs/dbraw/zinc/37/74/82/1129377482.db2.gz ROZPEFACWKGOAX-UHFFFAOYSA-N 0 1 267.310 3.933 20 0 CHADMN COc1cccc([C@@H](C)NCc2ccc(SC)o2)c1 ZINC000641708105 1129387463 /nfs/dbraw/zinc/38/74/63/1129387463.db2.gz NWQYFNNDMAMPEJ-LLVKDONJSA-N 0 1 277.389 3.861 20 0 CHADMN CSc1ccc(CN[C@@H]2CCc3cc(F)ccc32)o1 ZINC000641712034 1129388574 /nfs/dbraw/zinc/38/85/74/1129388574.db2.gz HWSJDQLYRKGWHJ-CQSZACIVSA-N 0 1 277.364 3.918 20 0 CHADMN CCO[C@@H](CNCc1ccc(SC)o1)c1ccccc1 ZINC000641750119 1129390171 /nfs/dbraw/zinc/39/01/71/1129390171.db2.gz HYDPIOWNNBAOOB-HNNXBMFYSA-N 0 1 291.416 3.869 20 0 CHADMN Clc1cnc(CNC23CC(c4ccccc4)(C2)C3)s1 ZINC000641789888 1129392712 /nfs/dbraw/zinc/39/27/12/1129392712.db2.gz DEROLOGDZDXDLR-UHFFFAOYSA-N 0 1 290.819 3.760 20 0 CHADMN OCC[C@H](N[C@@H](c1ccccc1)C1CCC1)c1ccco1 ZINC000641781559 1129392767 /nfs/dbraw/zinc/39/27/67/1129392767.db2.gz VINQVXCFTUVIGA-WMZOPIPTSA-N 0 1 285.387 3.834 20 0 CHADMN OCC[C@H](N[C@H](c1ccccc1)C1CCC1)c1ccco1 ZINC000641781557 1129392836 /nfs/dbraw/zinc/39/28/36/1129392836.db2.gz VINQVXCFTUVIGA-FUHWJXTLSA-N 0 1 285.387 3.834 20 0 CHADMN COc1ccc(OC)c(CN(C)Cc2c(C)cccc2C)c1 ZINC000738309342 1129393077 /nfs/dbraw/zinc/39/30/77/1129393077.db2.gz NTPSCYHLENDKDW-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN Fc1ccc(-c2nc(CN3C4CCC3CC4)co2)cc1 ZINC000641854338 1129394767 /nfs/dbraw/zinc/39/47/67/1129394767.db2.gz NBLHYDJHBVSIMO-UHFFFAOYSA-N 0 1 272.323 3.608 20 0 CHADMN Cc1ccc(NC(=O)CN(CCC(C)C)C2CC2)c(F)c1 ZINC000642094079 1129405622 /nfs/dbraw/zinc/40/56/22/1129405622.db2.gz HVAOTVKZNYAFNW-UHFFFAOYSA-N 0 1 292.398 3.583 20 0 CHADMN CCC[C@@H](NC(=O)c1[nH]nc2c1CCCC2)c1ccccc1 ZINC000642115296 1129406180 /nfs/dbraw/zinc/40/61/80/1129406180.db2.gz WAKCFTNGMQJIQZ-OAHLLOKOSA-N 0 1 297.402 3.560 20 0 CHADMN COCCN(Cc1c(F)cccc1Cl)C1CCCC1 ZINC000642189268 1129409280 /nfs/dbraw/zinc/40/92/80/1129409280.db2.gz WERRIDKXKODPQB-UHFFFAOYSA-N 0 1 285.790 3.870 20 0 CHADMN Cc1nc2c(nc(Cl)nc2NC[C@H]2CCCC[C@@H]2C)[nH]1 ZINC001155072118 1129415500 /nfs/dbraw/zinc/41/55/00/1129415500.db2.gz HMEAUSJMRRJHHI-WCBMZHEXSA-N 0 1 293.802 3.505 20 0 CHADMN C[C@@H](N[C@@H](C)Cc1cccs1)c1nc(C(C)(C)C)no1 ZINC000642516143 1129418777 /nfs/dbraw/zinc/41/87/77/1129418777.db2.gz ONRUDCQRESFVQO-WDEREUQCSA-N 0 1 293.436 3.710 20 0 CHADMN C[C@H](OC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)c1ccccc1F ZINC000741016106 1129426332 /nfs/dbraw/zinc/42/63/32/1129426332.db2.gz FXBGOOIXWPUDMM-MQYQWHSLSA-N 0 1 293.382 3.691 20 0 CHADMN C[C@@H](C(=O)OCc1ccccc1Cl)N1[C@H](C)CC[C@H]1C ZINC000741021525 1129426560 /nfs/dbraw/zinc/42/65/60/1129426560.db2.gz ORDUTVBRASMIOO-UPJWGTAASA-N 0 1 295.810 3.645 20 0 CHADMN CC[C@@H](CO)NCc1c(Cl)ccc(Cl)c1Cl ZINC000035054874 1129427499 /nfs/dbraw/zinc/42/74/99/1129427499.db2.gz GPCRNURMRSXWRK-ZETCQYMHSA-N 0 1 282.598 3.507 20 0 CHADMN C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CN2CCSC2=O)C1 ZINC000795700260 1129431511 /nfs/dbraw/zinc/43/15/11/1129431511.db2.gz IJTILKOYOOPINA-DZGCQCFKSA-N 0 1 290.432 3.586 20 0 CHADMN C[C@H]1CC[C@H](c2ccccc2)N(CN2CCSC2=O)C1 ZINC000795700260 1129431513 /nfs/dbraw/zinc/43/15/13/1129431513.db2.gz IJTILKOYOOPINA-DZGCQCFKSA-N 0 1 290.432 3.586 20 0 CHADMN C[C@@H]1CC[C@H](c2ccccc2)N(Cn2cc[nH]c2=S)C1 ZINC000795704221 1129431994 /nfs/dbraw/zinc/43/19/94/1129431994.db2.gz OKKJOUWFXFYAJB-UKRRQHHQSA-N 0 1 287.432 3.603 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)CCCC2CC2)c1 ZINC000643303696 1129437519 /nfs/dbraw/zinc/43/75/19/1129437519.db2.gz PTGBZEAXSYULSO-UHFFFAOYSA-N 0 1 275.348 3.504 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)[C@@H]3CC34CC4)cc2[nH]1 ZINC000643331081 1129438866 /nfs/dbraw/zinc/43/88/66/1129438866.db2.gz ZBJFJWSLEFRAEV-NSHDSACASA-N 0 1 283.375 3.599 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](C)c2ccnc(Cl)c2)s1 ZINC000795840820 1129451043 /nfs/dbraw/zinc/45/10/43/1129451043.db2.gz PMHWVXMRFWTPFV-IUCAKERBSA-N 0 1 281.812 3.912 20 0 CHADMN CCSCCN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000741783458 1129452872 /nfs/dbraw/zinc/45/28/72/1129452872.db2.gz AKODXHWNKVUZNR-IIAWOOMASA-N 0 1 279.449 3.590 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H](C)c1c[nH]nc1C ZINC000180179722 1129456811 /nfs/dbraw/zinc/45/68/11/1129456811.db2.gz WJROXCBVUIDZDR-NHYWBVRUSA-N 0 1 287.407 3.984 20 0 CHADMN [O-]c1cc(F)c(-c2ccc(C[NH+]3CCC3)cc2)c(F)c1 ZINC001241122639 1129459828 /nfs/dbraw/zinc/45/98/28/1129459828.db2.gz JCIKBRQZYQSZIQ-UHFFFAOYSA-N 0 1 275.298 3.543 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@H]1CCOc2c(Cl)cccc21 ZINC000180295649 1129467498 /nfs/dbraw/zinc/46/74/98/1129467498.db2.gz KZCSFDWSTRDEEG-OTYXRUKQSA-N 0 1 291.782 3.546 20 0 CHADMN CC(=O)Nc1ccc(-c2ccc(CN(C)C)c(F)c2)cc1 ZINC000644614048 1129471678 /nfs/dbraw/zinc/47/16/78/1129471678.db2.gz WFURSQFUUMUTRP-UHFFFAOYSA-N 0 1 286.350 3.513 20 0 CHADMN Cc1cnc([C@H](C)N2CCS[C@@H](c3ccccc3)C2)cn1 ZINC000644668663 1129473711 /nfs/dbraw/zinc/47/37/11/1129473711.db2.gz GNGSAXFDTHGXSE-WMLDXEAASA-N 0 1 299.443 3.636 20 0 CHADMN Cc1cc(CN[C@@H](c2cccnc2)C2CCCCC2)ncn1 ZINC000644668128 1129473853 /nfs/dbraw/zinc/47/38/53/1129473853.db2.gz BNKAUFFUDFECOT-GOSISDBHSA-N 0 1 296.418 3.591 20 0 CHADMN C[C@@H](CN1CCO[C@@H](c2ccco2)C1)C1CCCCC1 ZINC000645090906 1129486986 /nfs/dbraw/zinc/48/69/86/1129486986.db2.gz DGLOKRAXQQAVKJ-WMLDXEAASA-N 0 1 277.408 3.869 20 0 CHADMN CCn1ccnc1[C@@H]1CCCCN1CCCOC(C)(C)C ZINC000645137336 1129488260 /nfs/dbraw/zinc/48/82/60/1129488260.db2.gz NBPYNGMHGQZNLJ-HNNXBMFYSA-N 0 1 293.455 3.635 20 0 CHADMN CCC(N)=NOCCCOc1cccc2ccccc21 ZINC000742580687 1129488563 /nfs/dbraw/zinc/48/85/63/1129488563.db2.gz ROQZKQQBKRTUTJ-UHFFFAOYSA-N 0 1 272.348 3.517 20 0 CHADMN COc1ccc2c(c1)OCC[C@@H]2NCc1ccsc1C ZINC000645157048 1129489049 /nfs/dbraw/zinc/48/90/49/1129489049.db2.gz GBLOQURQBNTHOT-HNNXBMFYSA-N 0 1 289.400 3.679 20 0 CHADMN Cc1ccccc1OCC[NH2+]Cc1cccc([O-])c1Cl ZINC000645150340 1129489361 /nfs/dbraw/zinc/48/93/61/1129489361.db2.gz AGRBRZDXNRLUPS-UHFFFAOYSA-N 0 1 291.778 3.523 20 0 CHADMN Cc1ccccc1OCCNCc1cccc(O)c1Cl ZINC000645150340 1129489363 /nfs/dbraw/zinc/48/93/63/1129489363.db2.gz AGRBRZDXNRLUPS-UHFFFAOYSA-N 0 1 291.778 3.523 20 0 CHADMN CCC[NH+](CCC)CCCNCc1cccc([O-])c1Cl ZINC000645151967 1129489441 /nfs/dbraw/zinc/48/94/41/1129489441.db2.gz WKHMELXRZNKTMV-UHFFFAOYSA-N 0 1 298.858 3.647 20 0 CHADMN COc1ccc(F)c(CNCc2cc(C)sc2C)c1 ZINC000645157411 1129489519 /nfs/dbraw/zinc/48/95/19/1129489519.db2.gz CYEGLLSQZVBCOR-UHFFFAOYSA-N 0 1 279.380 3.802 20 0 CHADMN CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000645172265 1129490180 /nfs/dbraw/zinc/49/01/80/1129490180.db2.gz FQCHAMRXOVYEQK-DZGCQCFKSA-N 0 1 297.826 3.729 20 0 CHADMN CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc([O-])c2Cl)C1(C)C ZINC000645171839 1129490228 /nfs/dbraw/zinc/49/02/28/1129490228.db2.gz RZWGPWIXPVTKOW-UONOGXRCSA-N 0 1 297.826 3.727 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1nc2c(s1)CCC2 ZINC000645199651 1129491525 /nfs/dbraw/zinc/49/15/25/1129491525.db2.gz TXDGBIKVHHFOKB-UHFFFAOYSA-N 0 1 286.444 3.965 20 0 CHADMN COCC1(CCNc2ccnc3cc(F)ccc32)CC1 ZINC000645306577 1129494805 /nfs/dbraw/zinc/49/48/05/1129494805.db2.gz APNJYJJJORVFKE-UHFFFAOYSA-N 0 1 274.339 3.603 20 0 CHADMN O=C([O-])CC[N@H+](Cc1csc2ccccc12)CC1CC1 ZINC000717208871 1129497495 /nfs/dbraw/zinc/49/74/95/1129497495.db2.gz ZPSGWYVQKWCPEG-UHFFFAOYSA-N 0 1 289.400 3.588 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1ccc(C(C)(F)F)cc1 ZINC000645479218 1129499091 /nfs/dbraw/zinc/49/90/91/1129499091.db2.gz ZUZZQMOKLOOTRA-SNVBAGLBSA-N 0 1 279.334 3.681 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1ccccc1C(F)(F)F ZINC001239547306 1131378796 /nfs/dbraw/zinc/37/87/96/1131378796.db2.gz CGNNJVUACQVCMR-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN C[C@@H](NCCc1c(F)cccc1F)c1c(F)cncc1F ZINC000645912947 1129512729 /nfs/dbraw/zinc/51/27/29/1129512729.db2.gz ZYCGVAGFPVOYLO-SECBINFHSA-N 0 1 298.283 3.531 20 0 CHADMN c1c2ccccc2n2c1CN(CCC[C@H]1CCOC1)CCC2 ZINC000645916502 1129513160 /nfs/dbraw/zinc/51/31/60/1129513160.db2.gz WFEPNSOWHAINEZ-INIZCTEOSA-N 0 1 298.430 3.664 20 0 CHADMN COc1ccc(F)cc1CNC1(c2ccccc2C)CC1 ZINC000645978887 1129514910 /nfs/dbraw/zinc/51/49/10/1129514910.db2.gz DHOOYHAVIRZLBT-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN Cc1ccncc1CNC1(c2cccc(F)c2)CCC1 ZINC000646002095 1129516737 /nfs/dbraw/zinc/51/67/37/1129516737.db2.gz MIBJRRXPFNSRBX-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN COc1ccnc(CNC2(c3cccc(C)c3)CCC2)c1 ZINC000646021478 1129518360 /nfs/dbraw/zinc/51/83/60/1129518360.db2.gz DEYXFHACKGKRPT-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN CCO[C@H]1CCCN(Cc2cc(C)cc(Cl)c2)C1 ZINC000646046192 1129519429 /nfs/dbraw/zinc/51/94/29/1129519429.db2.gz GDUYNKIFFMBEFC-HNNXBMFYSA-N 0 1 267.800 3.649 20 0 CHADMN CC1(C)CCC[C@H]1[C@@H]1CCN(Cc2nnc(C3CC3)o2)C1 ZINC000646049737 1129519504 /nfs/dbraw/zinc/51/95/04/1129519504.db2.gz UJSSAQILRUIVJG-KGLIPLIRSA-N 0 1 289.423 3.595 20 0 CHADMN CN(CCC(C)(C)C)Cc1nnc(-c2ccccc2)o1 ZINC000646027284 1129519652 /nfs/dbraw/zinc/51/96/52/1129519652.db2.gz CLNIIFBWOHMBHT-UHFFFAOYSA-N 0 1 273.380 3.605 20 0 CHADMN CCCN(CCC)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743352566 1129520750 /nfs/dbraw/zinc/52/07/50/1129520750.db2.gz PNIRFNMCUZQXMA-HNNXBMFYSA-N 0 1 294.826 3.693 20 0 CHADMN CCc1sc(-c2nnc(CN(C)C(C)(C)C)o2)cc1C ZINC000646087337 1129520890 /nfs/dbraw/zinc/52/08/90/1129520890.db2.gz VXQFSTSIAZGYPT-UHFFFAOYSA-N 0 1 293.436 3.899 20 0 CHADMN COc1cccc(CNc2nc3ccc(Cl)cc3[nH]2)c1 ZINC000743359014 1129520982 /nfs/dbraw/zinc/52/09/82/1129520982.db2.gz QDGMZFCDHPODHT-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN CC(C)CCN(C)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743359630 1129521062 /nfs/dbraw/zinc/52/10/62/1129521062.db2.gz ZNWYMALIPJMSEN-HNNXBMFYSA-N 0 1 294.826 3.549 20 0 CHADMN CC[C@@H](C)CN(C)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743363046 1129521156 /nfs/dbraw/zinc/52/11/56/1129521156.db2.gz GIOUHWRDXKQJSC-IUODEOHRSA-N 0 1 294.826 3.549 20 0 CHADMN C[C@H](N(C)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1)C(C)(C)C ZINC000743347644 1129521892 /nfs/dbraw/zinc/52/18/92/1129521892.db2.gz DXHXQKRDFJJCIJ-OFQRWUPVSA-N 0 1 288.435 3.530 20 0 CHADMN Cc1ccc([C@H]2CCCCN2Cn2cc[nH]c2=S)cc1 ZINC000743369456 1129522318 /nfs/dbraw/zinc/52/23/18/1129522318.db2.gz CIBJOHONYWMCQJ-OAHLLOKOSA-N 0 1 287.432 3.665 20 0 CHADMN COCc1ccccc1/C=C(\C)CN1CC[C@H](C)[C@@H](F)C1 ZINC000646153392 1129527175 /nfs/dbraw/zinc/52/71/75/1129527175.db2.gz WVJWSNPNZWRRBH-WLIXIEMPSA-N 0 1 291.410 3.916 20 0 CHADMN CC1(C)CN(Cc2cccc(O)c2Cl)[C@H]1C1CC1 ZINC000646205509 1129528509 /nfs/dbraw/zinc/52/85/09/1129528509.db2.gz DXYHKTWLSZVKAO-AWEZNQCLSA-N 0 1 265.784 3.666 20 0 CHADMN c1ccc(C2CC2)c(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000646295987 1129531765 /nfs/dbraw/zinc/53/17/65/1129531765.db2.gz HJEDEVDOPFJPAI-MOPGFXCFSA-N 0 1 283.415 3.707 20 0 CHADMN C[C@H]1CCC[C@H](C(=O)Nc2c(=O)[nH][nH]c2-c2ccccc2)C1 ZINC000646465016 1129537836 /nfs/dbraw/zinc/53/78/36/1129537836.db2.gz GBMRYROSBXYNFM-AAEUAGOBSA-N 0 1 299.374 3.547 20 0 CHADMN Cl/C=C/CN1CCC(OCC2CCCCC2)CC1 ZINC000743854317 1129539675 /nfs/dbraw/zinc/53/96/75/1129539675.db2.gz TVTJMHBSRWWBMA-RUDMXATFSA-N 0 1 271.832 3.800 20 0 CHADMN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C/C=C\Cl)C1 ZINC000743854673 1129540232 /nfs/dbraw/zinc/54/02/32/1129540232.db2.gz HQXRBWMPFITNTJ-FGACUSOESA-N 0 1 253.748 3.961 20 0 CHADMN C[C@@H]1C[C@H](c2cccc(F)c2)N(C/C=C/Cl)C1 ZINC000743854675 1129540270 /nfs/dbraw/zinc/54/02/70/1129540270.db2.gz HQXRBWMPFITNTJ-ZCGNALJPSA-N 0 1 253.748 3.961 20 0 CHADMN CCC(C)(C)c1ccc(-c2nc([C@@H]3CCCN3)no2)cc1 ZINC000647147075 1129551634 /nfs/dbraw/zinc/55/16/34/1129551634.db2.gz JQUDEAGUYUCQDX-AWEZNQCLSA-N 0 1 285.391 3.849 20 0 CHADMN CCCc1ccc(CCCc2nc([C@H]3CCCN3)no2)cc1 ZINC000647144362 1129552101 /nfs/dbraw/zinc/55/21/01/1129552101.db2.gz VIXDEJVWNSPNOE-MRXNPFEDSA-N 0 1 299.418 3.622 20 0 CHADMN CC(C)[C@@H](CCc1ccccc1)c1nc([C@H]2CCCN2)no1 ZINC000647145566 1129552201 /nfs/dbraw/zinc/55/22/01/1129552201.db2.gz ZMPSOSNZUBJORG-HZPDHXFCSA-N 0 1 299.418 3.867 20 0 CHADMN CC(C)c1ccc([C@@H](C)Cc2nc([C@H]3CCCN3)no2)cc1 ZINC000647148999 1129552323 /nfs/dbraw/zinc/55/23/23/1129552323.db2.gz BBISBMGKTAMGEB-XJKSGUPXSA-N 0 1 299.418 3.964 20 0 CHADMN CSc1ccc(Cl)c(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000647155965 1129552702 /nfs/dbraw/zinc/55/27/02/1129552702.db2.gz MVDPCSLIVJXFJZ-NSHDSACASA-N 0 1 295.795 3.536 20 0 CHADMN CCC1CCC(N(C)Cn2ccc(C(F)(F)F)n2)CC1 ZINC000744146662 1129555483 /nfs/dbraw/zinc/55/54/83/1129555483.db2.gz JMDZLRAWZMDADC-UHFFFAOYSA-N 0 1 289.345 3.760 20 0 CHADMN c1cc(O[C@@H]2CCOC2)cc(NCCC2=CCCCC2)n1 ZINC001168773851 1129555583 /nfs/dbraw/zinc/55/55/83/1129555583.db2.gz AVGYOTVOZARXMY-MRXNPFEDSA-N 0 1 288.391 3.552 20 0 CHADMN CC(C)(C)O[C@H]1C[C@@H](NCc2ncc(C(C)(C)C)s2)C1 ZINC000647248000 1129560703 /nfs/dbraw/zinc/56/07/03/1129560703.db2.gz SQHVEOMUFNBHRE-TXEJJXNPSA-N 0 1 296.480 3.876 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647286317 1129564240 /nfs/dbraw/zinc/56/42/40/1129564240.db2.gz KOUHLCRLHVRIBI-RDTXWAMCSA-N 0 1 295.430 3.866 20 0 CHADMN COc1ccc([C@@H](CC(C)C)NCc2cnc(C)o2)cc1 ZINC000647307217 1129566906 /nfs/dbraw/zinc/56/69/06/1129566906.db2.gz VLGWIEHWNHKSMO-QGZVFWFLSA-N 0 1 288.391 3.869 20 0 CHADMN Cc1cccc2c1CC[C@@H]2N[C@H](CCO)c1ccccc1F ZINC000647345121 1129571920 /nfs/dbraw/zinc/57/19/20/1129571920.db2.gz DXKHMXOVGVTDDU-RBUKOAKNSA-N 0 1 299.389 3.835 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccccc1F)c1ccc(F)cc1 ZINC000647346398 1129572505 /nfs/dbraw/zinc/57/25/05/1129572505.db2.gz VPMSFRLMSYKLBA-SJCJKPOMSA-N 0 1 291.341 3.739 20 0 CHADMN Cc1ccsc1[C@@H](C)N[C@@H](CCO)c1ccccc1F ZINC000647345483 1129572998 /nfs/dbraw/zinc/57/29/98/1129572998.db2.gz KBHBBTKDBHYJTA-DOMZBBRYSA-N 0 1 293.407 3.970 20 0 CHADMN C[C@@H](NC1(c2cccc(Cl)c2)CCC1)c1ccnn1C ZINC000647348916 1129573630 /nfs/dbraw/zinc/57/36/30/1129573630.db2.gz HKGQGYRVOJQMNG-GFCCVEGCSA-N 0 1 289.810 3.804 20 0 CHADMN CC[C@@H](NC1(c2ccc(C)cc2)CCC1)c1ccn(C)n1 ZINC000647352755 1129574276 /nfs/dbraw/zinc/57/42/76/1129574276.db2.gz NQCAZHUYIAJBHX-MRXNPFEDSA-N 0 1 283.419 3.849 20 0 CHADMN CC[C@@H](C)CC(=O)Nc1ccccc1Nc1ccncc1 ZINC000647642275 1129583415 /nfs/dbraw/zinc/58/34/15/1129583415.db2.gz GEPZUKRDVYQZKH-CYBMUJFWSA-N 0 1 283.375 3.622 20 0 CHADMN Cc1ccc(CNCc2ccc3ccc(F)c(F)c3n2)cn1 ZINC000647925069 1129588127 /nfs/dbraw/zinc/58/81/27/1129588127.db2.gz JKAGAEDGTOZNJV-UHFFFAOYSA-N 0 1 299.324 3.506 20 0 CHADMN Cc1nc(CN2CCC(c3c[nH]c4ccccc43)CC2)co1 ZINC000647955832 1129589336 /nfs/dbraw/zinc/58/93/36/1129589336.db2.gz IPYBXYKRDBXKHU-UHFFFAOYSA-N 0 1 295.386 3.844 20 0 CHADMN COc1ccc(C(C)(C)C)cc1NCc1cn[nH]c1C ZINC000036953843 1129591140 /nfs/dbraw/zinc/59/11/40/1129591140.db2.gz SUEUESMVIILOFK-UHFFFAOYSA-N 0 1 273.380 3.636 20 0 CHADMN CC1(CC(F)F)CN(Cc2cccc(OC(F)F)c2)C1 ZINC000648058564 1129593883 /nfs/dbraw/zinc/59/38/83/1129593883.db2.gz QRRKMBRKGZEKDQ-UHFFFAOYSA-N 0 1 291.288 3.765 20 0 CHADMN Cc1ccc(CN(Cc2cnn(C(C)C)c2)CC2CC2)cn1 ZINC000648057645 1129594127 /nfs/dbraw/zinc/59/41/27/1129594127.db2.gz DZTMRKQVQJFXGE-UHFFFAOYSA-N 0 1 298.434 3.580 20 0 CHADMN CC1(CC(F)F)CN(C/C=C/c2ccccc2)C1 ZINC000648058609 1129594405 /nfs/dbraw/zinc/59/44/05/1129594405.db2.gz UHKNLMJTSZJASA-VMPITWQZSA-N 0 1 251.320 3.677 20 0 CHADMN CCn1cncc1CN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000648075162 1129597446 /nfs/dbraw/zinc/59/74/46/1129597446.db2.gz WXROVJIZHWZUHF-SFHVURJKSA-N 0 1 293.414 3.796 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc2ccccc2c1)c1nccn1C ZINC000182196244 1129600504 /nfs/dbraw/zinc/60/05/04/1129600504.db2.gz SLEHNJWOOCXRME-ZIAGYGMSSA-N 0 1 279.387 3.985 20 0 CHADMN Cc1cnccc1C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000648379975 1129604490 /nfs/dbraw/zinc/60/44/90/1129604490.db2.gz WTRYIDXCUQWCGQ-CZUORRHYSA-N 0 1 270.376 3.956 20 0 CHADMN C[C@H](NC[C@H](O)c1cc2ccccc2s1)c1ccco1 ZINC000305192074 1129631121 /nfs/dbraw/zinc/63/11/21/1129631121.db2.gz YKHCFGLEIBUAOF-AAEUAGOBSA-N 0 1 287.384 3.879 20 0 CHADMN CCC(C)(CC)C(=O)Nc1cccc(Cl)c1O ZINC000184840462 1129632059 /nfs/dbraw/zinc/63/20/59/1129632059.db2.gz NDCWOKWHTKHVGZ-UHFFFAOYSA-N 0 1 255.745 3.810 20 0 CHADMN CC1(C)CC[C@H](CN[C@H](c2ccco2)c2ccccc2)O1 ZINC000187841694 1129636696 /nfs/dbraw/zinc/63/66/96/1129636696.db2.gz BMIRDHJHBRMJMV-WBVHZDCISA-N 0 1 285.387 3.916 20 0 CHADMN C[C@]1(F)CCN(Cc2cccc3ncccc23)C[C@@H]1F ZINC001137624651 1131387547 /nfs/dbraw/zinc/38/75/47/1131387547.db2.gz UFKHYBPNNPIRFY-HOTGVXAUSA-N 0 1 276.330 3.507 20 0 CHADMN CN(Cc1cc(O)ccc1Cl)C1CC(C)(C)C1 ZINC001170991119 1131387793 /nfs/dbraw/zinc/38/77/93/1131387793.db2.gz SNELMINPBWLDBS-UHFFFAOYSA-N 0 1 253.773 3.666 20 0 CHADMN OCc1nc2ccc(-c3ccc(C4CCC4)cc3)cc2[nH]1 ZINC000649431601 1129647133 /nfs/dbraw/zinc/64/71/33/1129647133.db2.gz BLMJWHSXARSCFQ-UHFFFAOYSA-N 0 1 278.355 3.990 20 0 CHADMN CN(C)Cc1ccc(-c2cc(Cl)cc(CO)c2)cc1F ZINC000649437952 1129648475 /nfs/dbraw/zinc/64/84/75/1129648475.db2.gz MQXRLCOXDMPTTN-UHFFFAOYSA-N 0 1 293.769 3.700 20 0 CHADMN Cc1cnc(-c2ccc(CN(C)C)c(F)c2)c(C)c1 ZINC000649437805 1129648615 /nfs/dbraw/zinc/64/86/15/1129648615.db2.gz FLFCMLIATOQVJX-UHFFFAOYSA-N 0 1 258.340 3.566 20 0 CHADMN Fc1ccc(CN2CC[C@@H]3CCC[C@H]32)cc1Br ZINC000383136944 1129650704 /nfs/dbraw/zinc/65/07/04/1129650704.db2.gz WMLVOVSISUHADD-SMDDNHRTSA-N 0 1 298.199 3.963 20 0 CHADMN Cc1cccc(C2(NCc3cc4n(n3)CCC4)CCCC2)c1 ZINC000649559082 1129657804 /nfs/dbraw/zinc/65/78/04/1129657804.db2.gz OVCMFSAPMVLBBS-UHFFFAOYSA-N 0 1 295.430 3.697 20 0 CHADMN Fc1ccc([C@H](NCc2cc3n(n2)CCC3)C2CCC2)cc1 ZINC000649558899 1129657838 /nfs/dbraw/zinc/65/78/38/1129657838.db2.gz GRGNVDGLDLAXIN-GOSISDBHSA-N 0 1 299.393 3.599 20 0 CHADMN CC[C@H](OCCN(C)Cc1cccc(C)n1)c1ccccc1 ZINC000649561693 1129658261 /nfs/dbraw/zinc/65/82/61/1129658261.db2.gz GLSVHSFILGYUMS-IBGZPJMESA-N 0 1 298.430 3.990 20 0 CHADMN CC[C@@H](OCCN(C)Cc1cccnc1)c1ccccc1 ZINC000649567419 1129658429 /nfs/dbraw/zinc/65/84/29/1129658429.db2.gz QENIBBGPQHTGFQ-GOSISDBHSA-N 0 1 284.403 3.681 20 0 CHADMN CC[C@H](NCc1cc2n(n1)CCCC2)c1ccc(C)cc1 ZINC000649573851 1129659328 /nfs/dbraw/zinc/65/93/28/1129659328.db2.gz RQBKULRDUOPWPD-SFHVURJKSA-N 0 1 283.419 3.769 20 0 CHADMN Cc1cccc([C@H]2CCN(Cc3cc4n(n3)CCCC4)C2)c1 ZINC000649582538 1129660603 /nfs/dbraw/zinc/66/06/03/1129660603.db2.gz IRRCEMDQUQNEBY-KRWDZBQOSA-N 0 1 295.430 3.517 20 0 CHADMN CC1(C)C[C@H](c2ccccc2)N(Cc2cc3n(n2)CCC3)C1 ZINC000649632411 1129664149 /nfs/dbraw/zinc/66/41/49/1129664149.db2.gz IYJPSTNIRSVNEG-GOSISDBHSA-N 0 1 295.430 3.803 20 0 CHADMN Clc1ccc2nc(CN3CCC34CCCC4)cn2c1 ZINC000649655903 1129666258 /nfs/dbraw/zinc/66/62/58/1129666258.db2.gz VLWQGBKZGOCSRM-UHFFFAOYSA-N 0 1 275.783 3.506 20 0 CHADMN C[C@@H](c1ccncc1)[N@@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000828524528 1131389577 /nfs/dbraw/zinc/38/95/77/1131389577.db2.gz MFNDPPJFXOEGIN-CMPLNLGQSA-N 0 1 273.207 3.658 20 0 CHADMN C[C@@H](c1ccncc1)N(C)C[C@@]1(C)CC1(Cl)Cl ZINC000828524528 1131389581 /nfs/dbraw/zinc/38/95/81/1131389581.db2.gz MFNDPPJFXOEGIN-CMPLNLGQSA-N 0 1 273.207 3.658 20 0 CHADMN Fc1cccc(CCN2CCC3(CC3(F)F)CC2)c1F ZINC000649773987 1129676650 /nfs/dbraw/zinc/67/66/50/1129676650.db2.gz NSKRZUFBSVQWFH-UHFFFAOYSA-N 0 1 287.300 3.629 20 0 CHADMN c1nc(CNC2(C3CCC3)CC2)oc1-c1ccccc1 ZINC000649807120 1129678548 /nfs/dbraw/zinc/67/85/48/1129678548.db2.gz LSHSZINMWQBTLT-UHFFFAOYSA-N 0 1 268.360 3.764 20 0 CHADMN CCn1cc(CN(Cc2ccc(F)cc2C)C(C)C)cn1 ZINC000649814517 1129678901 /nfs/dbraw/zinc/67/89/01/1129678901.db2.gz SKQFBVDPOQSJJS-UHFFFAOYSA-N 0 1 289.398 3.761 20 0 CHADMN CCn1cc(CN(Cc2cc(F)ccc2C)C(C)C)cn1 ZINC000649814640 1129679092 /nfs/dbraw/zinc/67/90/92/1129679092.db2.gz XUEQZLFKQFDWJQ-UHFFFAOYSA-N 0 1 289.398 3.761 20 0 CHADMN C[C@H](NC1(C2CCC2)CC1)c1ncc(C(C)(C)C)o1 ZINC000649808964 1129679316 /nfs/dbraw/zinc/67/93/16/1129679316.db2.gz XMZCHNCEEPCZCZ-NSHDSACASA-N 0 1 262.397 3.955 20 0 CHADMN C[C@@H](c1cccnc1)[N@@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000828525149 1131390141 /nfs/dbraw/zinc/39/01/41/1131390141.db2.gz YKWUSIMJXZZDSV-JQWIXIFHSA-N 0 1 273.207 3.658 20 0 CHADMN C[C@@H](c1cccnc1)N(C)C[C@]1(C)CC1(Cl)Cl ZINC000828525149 1131390142 /nfs/dbraw/zinc/39/01/42/1131390142.db2.gz YKWUSIMJXZZDSV-JQWIXIFHSA-N 0 1 273.207 3.658 20 0 CHADMN CCCCc1noc(CN2CCc3ccccc3[C@H](C)C2)n1 ZINC000649832961 1129680745 /nfs/dbraw/zinc/68/07/45/1129680745.db2.gz AKOVIAAMUZFTKN-CQSZACIVSA-N 0 1 299.418 3.574 20 0 CHADMN C[C@H]1CN(Cc2ncc(C3CC3)o2)CCc2ccccc21 ZINC000649835234 1129681379 /nfs/dbraw/zinc/68/13/79/1129681379.db2.gz CSMSHYPOVKCATB-ZDUSSCGKSA-N 0 1 282.387 3.714 20 0 CHADMN Cc1ccccc1-c1noc(CN[C@H](C)C(C)(C)C)n1 ZINC000649860355 1129682985 /nfs/dbraw/zinc/68/29/85/1129682985.db2.gz ZXPIHQQPLCMXMJ-GFCCVEGCSA-N 0 1 273.380 3.569 20 0 CHADMN COc1c(Cl)ccc(Nc2ccc3nccn3c2)c1F ZINC001212582700 1129684132 /nfs/dbraw/zinc/68/41/32/1129684132.db2.gz VPIJDYBBIBOOOD-UHFFFAOYSA-N 0 1 291.713 3.879 20 0 CHADMN FC1(F)C[C@@]12CCN(Cc1ccccc1Cl)C2 ZINC000649900137 1129684481 /nfs/dbraw/zinc/68/44/81/1129684481.db2.gz UIDIIPORJQOMMS-GFCCVEGCSA-N 0 1 257.711 3.571 20 0 CHADMN Cc1ccc(CN2CC[C@@]3(CC3(F)F)C2)c(Cl)c1 ZINC000649908689 1129686149 /nfs/dbraw/zinc/68/61/49/1129686149.db2.gz UPPBTTIVFJPQQV-CYBMUJFWSA-N 0 1 271.738 3.880 20 0 CHADMN CCOC(=O)/C=C\CN[C@@H](C)c1oc2ccccc2c1C ZINC001168984050 1129686836 /nfs/dbraw/zinc/68/68/36/1129686836.db2.gz ZJUGGLVASJBRNY-SZNGSJQDSA-N 0 1 287.359 3.511 20 0 CHADMN CCOC(=O)/C=C/CN[C@@H](C)c1oc2ccccc2c1C ZINC001168984049 1129686849 /nfs/dbraw/zinc/68/68/49/1129686849.db2.gz ZJUGGLVASJBRNY-RSPDNQDQSA-N 0 1 287.359 3.511 20 0 CHADMN C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001169013554 1129690165 /nfs/dbraw/zinc/69/01/65/1129690165.db2.gz IEXZTCSVFYLWBF-CZUORRHYSA-N 0 1 297.402 3.518 20 0 CHADMN CC(C)C[C@@H](Cc1ccccc1)Nc1cccnc1CN ZINC001169060821 1129694497 /nfs/dbraw/zinc/69/44/97/1129694497.db2.gz DPMYEKRKGQDNCM-INIZCTEOSA-N 0 1 283.419 3.610 20 0 CHADMN Cc1nc2ccc(Nc3snc4cccnc43)cc2[nH]1 ZINC001213073341 1129695119 /nfs/dbraw/zinc/69/51/19/1129695119.db2.gz NGEHQEIISSZWRU-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN CCN([C@@H](Cc1ccccc1)CC(C)C)[C@@H](C)C(=O)OC ZINC001169083769 1129698661 /nfs/dbraw/zinc/69/86/61/1129698661.db2.gz FSGVIZSVSVQHTM-DOTOQJQBSA-N 0 1 291.435 3.527 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H](C)c2ccc(Cl)cc2)n1 ZINC000650228046 1129701682 /nfs/dbraw/zinc/70/16/82/1129701682.db2.gz RVALWDXAAWASEE-ZWNOBZJWSA-N 0 1 293.798 3.921 20 0 CHADMN Cc1[nH]c2ccccc2c1CN=Nc1ccc([N+](=O)[O-])cc1 ZINC000254578477 1129702277 /nfs/dbraw/zinc/70/22/77/1129702277.db2.gz RBKVBYNUCKZGOJ-UHFFFAOYSA-N 0 1 294.314 3.831 20 0 CHADMN Cc1cc(C)c(CN2Cc3ccccc3OC[C@H]2C)c(C)n1 ZINC001169188030 1129706866 /nfs/dbraw/zinc/70/68/66/1129706866.db2.gz OBWKIQNSAIKUON-OAHLLOKOSA-N 0 1 296.414 3.790 20 0 CHADMN FC1(F)CCC[C@@H](Nc2cc(OCC3CC3)ccn2)C1 ZINC001169213891 1129708359 /nfs/dbraw/zinc/70/83/59/1129708359.db2.gz QYRUMFZZGKGAMT-GFCCVEGCSA-N 0 1 282.334 3.860 20 0 CHADMN FC(F)(F)c1cnccc1N[C@@H]1CCCC(F)(F)C1 ZINC001169219593 1129710077 /nfs/dbraw/zinc/71/00/77/1129710077.db2.gz VMEJPOZTVRKVNU-MRVPVSSYSA-N 0 1 280.240 3.512 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000650500090 1129711892 /nfs/dbraw/zinc/71/18/92/1129711892.db2.gz NXANXMDGWUABFW-UHFFFAOYSA-N 0 1 299.370 3.560 20 0 CHADMN FC(F)(F)c1cnccc1N[C@@H](C1CCC1)C(F)(F)F ZINC001169284926 1129715148 /nfs/dbraw/zinc/71/51/48/1129715148.db2.gz MXWZITYEJRFWCE-JTQLQIEISA-N 0 1 298.230 3.665 20 0 CHADMN CC[C@]1(C)C[N@H+]([C@H](C)c2ccc3c(c2)CCC3)CCO1 ZINC001169342390 1129718728 /nfs/dbraw/zinc/71/87/28/1129718728.db2.gz LVYJAHFAMZTBLN-RDTXWAMCSA-N 0 1 273.420 3.737 20 0 CHADMN CC[C@]1(C)CN([C@H](C)c2ccc3c(c2)CCC3)CCO1 ZINC001169342390 1129718730 /nfs/dbraw/zinc/71/87/30/1129718730.db2.gz LVYJAHFAMZTBLN-RDTXWAMCSA-N 0 1 273.420 3.737 20 0 CHADMN Cc1nc2cncc(N[C@@H]3C[C@@H](C)c4ccccc43)c2[nH]1 ZINC001169382670 1129720718 /nfs/dbraw/zinc/72/07/18/1129720718.db2.gz XFTGUKXRUUPGSH-QMTHXVAHSA-N 0 1 278.359 3.927 20 0 CHADMN C[C@@H]1C[C@H](Nc2ccc3c(n2)NCCO3)c2ccccc21 ZINC001169378252 1129722557 /nfs/dbraw/zinc/72/25/57/1129722557.db2.gz KTKVSDYVWGSVRN-RISCZKNCSA-N 0 1 281.359 3.546 20 0 CHADMN CCCCCC[C@@H](CC)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000766694502 1129725890 /nfs/dbraw/zinc/72/58/90/1129725890.db2.gz YCHOOMJJHGSPJA-UKRRQHHQSA-N 0 1 291.439 3.900 20 0 CHADMN CC[C@@H](C)c1ccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000766693003 1129726099 /nfs/dbraw/zinc/72/60/99/1129726099.db2.gz RJWRASXWRCHGTQ-MLGOLLRUSA-N 0 1 297.402 3.731 20 0 CHADMN CCc1ccc([C@@H](O)CNCc2ccsc2Cl)cc1 ZINC000796451135 1129728024 /nfs/dbraw/zinc/72/80/24/1129728024.db2.gz STURVFNMGYKOSU-AWEZNQCLSA-N 0 1 295.835 3.787 20 0 CHADMN CC[C@H]1CCN(Cc2csc(C3CC3)n2)[C@@H]1C ZINC001169494140 1129730846 /nfs/dbraw/zinc/73/08/46/1129730846.db2.gz DMVYJHALNBIUIJ-MNOVXSKESA-N 0 1 250.411 3.641 20 0 CHADMN Cc1cccc2ncc(Nc3ccc(Cl)c(O)c3)n21 ZINC001212590652 1129732294 /nfs/dbraw/zinc/73/22/94/1129732294.db2.gz XDCZZPSEPWVULL-UHFFFAOYSA-N 0 1 273.723 3.745 20 0 CHADMN Cc1cc2cc[nH]c2c(NC[C@@H](C)c2ccc(O)cc2)n1 ZINC001169533211 1129733188 /nfs/dbraw/zinc/73/31/88/1129733188.db2.gz MAZZIZIQPJMSLF-LLVKDONJSA-N 0 1 281.359 3.793 20 0 CHADMN CC[C@H](N[C@@H]1CCOc2cc(OC)ccc21)c1ccncc1 ZINC000651237080 1129734015 /nfs/dbraw/zinc/73/40/15/1129734015.db2.gz MSVPINUSSSPCIG-DLBZAZTESA-N 0 1 298.386 3.655 20 0 CHADMN Cc1csc([C@H](C)NCc2cccc3c2CCC3)n1 ZINC000651698982 1129744375 /nfs/dbraw/zinc/74/43/75/1129744375.db2.gz CFHVYSGFRPRBLK-LBPRGKRZSA-N 0 1 272.417 3.791 20 0 CHADMN CCOc1cc(C)ccc1CNCc1cc2cnccc2o1 ZINC000651732680 1129745888 /nfs/dbraw/zinc/74/58/88/1129745888.db2.gz DKFRHWFTLAZSPY-UHFFFAOYSA-N 0 1 296.370 3.825 20 0 CHADMN CC[C@@]1(C)CCC[C@H]1NCc1noc(-c2cccs2)n1 ZINC000651822972 1129750425 /nfs/dbraw/zinc/75/04/25/1129750425.db2.gz QVRSIBXGHXNLNQ-DOMZBBRYSA-N 0 1 291.420 3.857 20 0 CHADMN CC[C@@]1(C)CCC[C@@H]1NCc1nccc(C(F)(F)F)n1 ZINC000651830881 1129750567 /nfs/dbraw/zinc/75/05/67/1129750567.db2.gz TUCIOYLQFZDXOT-GWCFXTLKSA-N 0 1 287.329 3.554 20 0 CHADMN CC1(C)CCC[C@@H](CN2CC[C@@](F)(c3ccccc3)C2)O1 ZINC001169746349 1129751917 /nfs/dbraw/zinc/75/19/17/1129751917.db2.gz YGTWBPOHKIMBLX-WMZOPIPTSA-N 0 1 291.410 3.905 20 0 CHADMN CC[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)[C@@H](C)CO1 ZINC000651930930 1129752438 /nfs/dbraw/zinc/75/24/38/1129752438.db2.gz GUCJEURKIGLWHR-HNAYVOBHSA-N 0 1 296.414 3.748 20 0 CHADMN C[C@@H]1CN(Cc2cccc3nsnc32)Cc2ccccc21 ZINC000766828811 1129756145 /nfs/dbraw/zinc/75/61/45/1129756145.db2.gz JLWIRNFXPJOMPY-GFCCVEGCSA-N 0 1 295.411 3.811 20 0 CHADMN CC(C)c1cc(N[C@@H]2C[C@H]2c2ccccc2)nc(N(C)C)n1 ZINC001169811970 1129758403 /nfs/dbraw/zinc/75/84/03/1129758403.db2.gz HQWNGRUVVCHZFW-GOEBONIOSA-N 0 1 296.418 3.634 20 0 CHADMN COc1ccc([C@H](NCC[C@H](C)F)c2ccccn2)cc1 ZINC000652202125 1129759406 /nfs/dbraw/zinc/75/94/06/1129759406.db2.gz ATHYUENPFJPIMG-GUYCJALGSA-N 0 1 288.366 3.517 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N1CCC(F)(F)CC1)CC2 ZINC000796542793 1129776939 /nfs/dbraw/zinc/77/69/39/1129776939.db2.gz JOXWQKZUMBLINP-ZDUSSCGKSA-N 0 1 255.283 3.544 20 0 CHADMN Cc1nsc(C)c1C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000653574285 1129785764 /nfs/dbraw/zinc/78/57/64/1129785764.db2.gz OXYJFBWJJMOLBM-MRXNPFEDSA-N 0 1 288.416 3.803 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN(CCC(=O)C2CC2)C2CC2)o1 ZINC000767347007 1129787604 /nfs/dbraw/zinc/78/76/04/1129787604.db2.gz MWXWVLVFBQSTTP-LRDDRELGSA-N 0 1 287.403 3.737 20 0 CHADMN CCC(=O)Nc1cccc(CNCc2cc(C)oc2C)c1 ZINC000767361180 1129787912 /nfs/dbraw/zinc/78/79/12/1129787912.db2.gz KLLYUZVYAUNPCE-UHFFFAOYSA-N 0 1 286.375 3.535 20 0 CHADMN Oc1c(F)cccc1-c1ncncc1-c1ccccc1 ZINC001242349308 1129788247 /nfs/dbraw/zinc/78/82/47/1129788247.db2.gz ODFKRQFOUQIFTL-UHFFFAOYSA-N 0 1 266.275 3.655 20 0 CHADMN CC[C@@H]1C[N@@H+](Cc2cc(C(C)C)ccc2OC)CCCO1 ZINC000653660680 1129790591 /nfs/dbraw/zinc/79/05/91/1129790591.db2.gz MJWQHNXYBAZDPG-QGZVFWFLSA-N 0 1 291.435 3.820 20 0 CHADMN CCC(CC)n1ccc(CN2CC[C@@H](c3ccncc3)C2)n1 ZINC000653681571 1129791489 /nfs/dbraw/zinc/79/14/89/1129791489.db2.gz WSEILMAWTURMFJ-MRXNPFEDSA-N 0 1 298.434 3.629 20 0 CHADMN CC(C)(C)Oc1ccc(-c2cccc(F)c2O)nc1 ZINC001242352289 1129793761 /nfs/dbraw/zinc/79/37/61/1129793761.db2.gz FVPJEFLBCRMXEM-UHFFFAOYSA-N 0 1 261.296 3.771 20 0 CHADMN CC1=C(C)CN(C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000796590002 1129795123 /nfs/dbraw/zinc/79/51/23/1129795123.db2.gz QDYCSUSBUZBKDF-HNNXBMFYSA-N 0 1 283.774 3.555 20 0 CHADMN CC(=O)c1cc(CN2CC[C@@H]([C@H]3CCCC3(C)C)C2)on1 ZINC000653777722 1129795803 /nfs/dbraw/zinc/79/58/03/1129795803.db2.gz TWUFBKZARIXVJR-UKRRQHHQSA-N 0 1 290.407 3.525 20 0 CHADMN CC[C@H](NCc1csc(C(C)C)n1)[C@@H]1CCCCO1 ZINC000653879919 1129800058 /nfs/dbraw/zinc/80/00/58/1129800058.db2.gz ZYCXXJHZBASVHH-KBPBESRZSA-N 0 1 282.453 3.704 20 0 CHADMN Cc1nc(C)c(CN2C[C@@H](C)OC3(CCCCC3)C2)s1 ZINC000653905675 1129800929 /nfs/dbraw/zinc/80/09/29/1129800929.db2.gz HTTDGWRMCBJSGX-GFCCVEGCSA-N 0 1 294.464 3.684 20 0 CHADMN C[C@H](c1ccncc1)N1C[C@H](C)OC2(CCCCC2)C1 ZINC000653906263 1129801285 /nfs/dbraw/zinc/80/12/85/1129801285.db2.gz RDJVFNASLZVYEC-LSDHHAIUSA-N 0 1 274.408 3.566 20 0 CHADMN Cc1cccc(CN2CC[C@@H](C(F)(F)F)C2)c1F ZINC001137677319 1131398539 /nfs/dbraw/zinc/39/85/39/1131398539.db2.gz LUUXASARWZBCHY-LLVKDONJSA-N 0 1 261.262 3.518 20 0 CHADMN C[C@H]1Cc2ccccc2N1C1CCN(C/C=C\Cl)CC1 ZINC000767889964 1129818459 /nfs/dbraw/zinc/81/84/59/1129818459.db2.gz NYGJLFWQXKUSRS-DFGFTWQDSA-N 0 1 290.838 3.655 20 0 CHADMN CCCCN(CC)Cc1c(Cl)nc2ccccn21 ZINC000768143721 1129833048 /nfs/dbraw/zinc/83/30/48/1129833048.db2.gz MZGYKXOXXFLZLP-UHFFFAOYSA-N 0 1 265.788 3.610 20 0 CHADMN CN(Cc1cccs1)Cc1cncc2ccccc21 ZINC000768160756 1129838130 /nfs/dbraw/zinc/83/81/30/1129838130.db2.gz OHXVFHJFEDJLMF-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN C[C@@H](NCc1c(Cl)ccc(Cl)c1Cl)[C@H](C)O ZINC000381509449 1129840164 /nfs/dbraw/zinc/84/01/64/1129840164.db2.gz NRDYVPZNVHTLIA-RQJHMYQMSA-N 0 1 282.598 3.506 20 0 CHADMN CCOc1cccc(CN2Cc3ccccc3[C@@H](C)C2)n1 ZINC000768197870 1129844124 /nfs/dbraw/zinc/84/41/24/1129844124.db2.gz YHTWURNFSIKQHY-AWEZNQCLSA-N 0 1 282.387 3.600 20 0 CHADMN Cc1cncc([C@H](C)NCc2c(C)cccc2F)c1 ZINC000768222366 1129844404 /nfs/dbraw/zinc/84/44/04/1129844404.db2.gz VCYOKMAPTNDDNR-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN C[C@@H](N[C@@H](C)c1c(F)cccc1F)[C@H]1CCCCO1 ZINC000381803096 1129850988 /nfs/dbraw/zinc/85/09/88/1129850988.db2.gz QJVRKGSJTJXNDM-UHIISALHSA-N 0 1 269.335 3.573 20 0 CHADMN Cc1cnc(C(C)(C)NC[C@]2(C)CC2(Cl)Cl)s1 ZINC000828816520 1131401978 /nfs/dbraw/zinc/40/19/78/1131401978.db2.gz YSSIXQPEMAIHKJ-NSHDSACASA-N 0 1 293.263 3.860 20 0 CHADMN Cc1ccc2c(ccc(C)c2-c2nc([C@@H]3CCCN3)no2)c1 ZINC000900010616 1129856819 /nfs/dbraw/zinc/85/68/19/1129856819.db2.gz UWIHAFBDUABZCC-HNNXBMFYSA-N 0 1 293.370 3.931 20 0 CHADMN CC(C)c1ccc([C@@H](NC(=O)Cc2cnc[nH]2)C(C)C)cc1 ZINC000900056235 1129859589 /nfs/dbraw/zinc/85/95/89/1129859589.db2.gz PJTHGGZJPBHFPC-SFHVURJKSA-N 0 1 299.418 3.589 20 0 CHADMN CCc1nn(C)c(Cl)c1CN(CC)C[C@H](C)CC ZINC000769537179 1129916052 /nfs/dbraw/zinc/91/60/52/1129916052.db2.gz IKQOTKOUSGHUMK-LLVKDONJSA-N 0 1 271.836 3.504 20 0 CHADMN CSc1ccccc1[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C ZINC000800440056 1129874397 /nfs/dbraw/zinc/87/43/97/1129874397.db2.gz RYWZQMNWPSHHSN-DOMZBBRYSA-N 0 1 295.448 3.599 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)Cc2ccccc2Cl)no1 ZINC000800502355 1129881774 /nfs/dbraw/zinc/88/17/74/1129881774.db2.gz AOJGWELTNOEULR-ZYHUDNBSSA-N 0 1 278.783 3.918 20 0 CHADMN CC(C)N(Cc1cn([C@H]2CCC(C)(C)C2)nn1)C(C)C ZINC000900488754 1129884921 /nfs/dbraw/zinc/88/49/21/1129884921.db2.gz XKJLAMXYZUBDRQ-HNNXBMFYSA-N 0 1 278.444 3.648 20 0 CHADMN CCCCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C)[C@H](C)CC ZINC000900631767 1129888434 /nfs/dbraw/zinc/88/84/34/1129888434.db2.gz QIHSDKBWUJGROQ-IOASZLSFSA-N 0 1 291.439 3.503 20 0 CHADMN Clc1cscc1CN1CCC(c2cn[nH]c2)CC1 ZINC000769003744 1129888764 /nfs/dbraw/zinc/88/87/64/1129888764.db2.gz IDENLOMNVOTIGF-UHFFFAOYSA-N 0 1 281.812 3.504 20 0 CHADMN CC1(C)CN(Cc2cnn3ccccc23)[C@@H]1c1ccccc1 ZINC000769086569 1129890781 /nfs/dbraw/zinc/89/07/81/1129890781.db2.gz NHVUZZMDFGGYJL-GOSISDBHSA-N 0 1 291.398 3.917 20 0 CHADMN Cc1cc(CN2CCC[C@H](C)[C@H]2C)cnc1Cl ZINC000769221601 1129896701 /nfs/dbraw/zinc/89/67/01/1129896701.db2.gz BASDXYRBJQAJEC-CMPLNLGQSA-N 0 1 252.789 3.664 20 0 CHADMN F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1c[nH]c2ccc(Cl)cc12 ZINC001137714246 1131406123 /nfs/dbraw/zinc/40/61/23/1131406123.db2.gz JNNDEAVDWAKCDM-WFBYXXMGSA-N 0 1 278.758 3.754 20 0 CHADMN CN(Cc1cc(F)cc(F)c1)C[C@H]1CCCC(C)(C)O1 ZINC001170004940 1129902233 /nfs/dbraw/zinc/90/22/33/1129902233.db2.gz VGXYAIHTVYHFAO-OAHLLOKOSA-N 0 1 283.362 3.744 20 0 CHADMN COc1cccc(CN2CCc3c(C)cccc3C2)c1OC ZINC000769336982 1129903006 /nfs/dbraw/zinc/90/30/06/1129903006.db2.gz ARQXMKBPTYQPMX-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN Fc1cc(F)c(CN2CCC3(CCCC3)C2)cc1F ZINC000769402211 1129905886 /nfs/dbraw/zinc/90/58/86/1129905886.db2.gz DSLZTICBHSRDQX-UHFFFAOYSA-N 0 1 269.310 3.870 20 0 CHADMN C/C(Cl)=C\C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000901150671 1129910618 /nfs/dbraw/zinc/91/06/18/1129910618.db2.gz AZYSQGVHGPDSDL-KPKJPENVSA-N 0 1 292.810 3.739 20 0 CHADMN CCC[C@@H]1CCCN(Cc2c(CC)nn(C)c2Cl)C1 ZINC000769504688 1129914209 /nfs/dbraw/zinc/91/42/09/1129914209.db2.gz XVVFAJAYXNLFHA-GFCCVEGCSA-N 0 1 283.847 3.648 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CCN1Cc1coc(C2CC2)n1 ZINC000769498787 1129914215 /nfs/dbraw/zinc/91/42/15/1129914215.db2.gz PXPMTWAVBYYZSU-SUMWQHHRSA-N 0 1 282.387 3.930 20 0 CHADMN CC[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc(C)cc2)s1 ZINC000901426534 1129924434 /nfs/dbraw/zinc/92/44/34/1129924434.db2.gz KAQGSIMTOCFWES-UHFFFAOYSA-N 0 1 289.400 3.630 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1cccc(COC)c1 ZINC000769871744 1129930399 /nfs/dbraw/zinc/93/03/99/1129930399.db2.gz CKNJSQLLMIGVPV-GFCCVEGCSA-N 0 1 288.391 3.543 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NC/C=C/c1ccccc1 ZINC000769876650 1129930452 /nfs/dbraw/zinc/93/04/52/1129930452.db2.gz RXRLRWJIKHLCNY-RUNBWSAHSA-N 0 1 270.376 3.909 20 0 CHADMN CCOc1cccc(CN[C@@H](C)c2c(C)onc2CC)c1 ZINC000769875324 1129930583 /nfs/dbraw/zinc/93/05/83/1129930583.db2.gz OIITXZJEJWSFMB-LBPRGKRZSA-N 0 1 288.391 3.795 20 0 CHADMN COc1cccc(NCc2cnc(-c3ccccc3)[nH]2)c1F ZINC000769929708 1129932435 /nfs/dbraw/zinc/93/24/35/1129932435.db2.gz LWLCGZKKNXRLQF-UHFFFAOYSA-N 0 1 297.333 3.837 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCCC23CCC3)n1 ZINC000769982615 1129933918 /nfs/dbraw/zinc/93/39/18/1129933918.db2.gz AXRORGAVBBGTNM-UHFFFAOYSA-N 0 1 283.375 3.564 20 0 CHADMN O=C(Nc1cccc2ccncc21)c1c(O)cccc1Cl ZINC000769983231 1129934894 /nfs/dbraw/zinc/93/48/94/1129934894.db2.gz UNGMCTJTOICXLX-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1cccc(CC2CCC2)c1 ZINC000901585875 1129938205 /nfs/dbraw/zinc/93/82/05/1129938205.db2.gz CBKFYAZQKIVEMP-UHFFFAOYSA-N 0 1 289.419 3.572 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])CC1CCC2(CCCCC2)CC1 ZINC000901601864 1129938541 /nfs/dbraw/zinc/93/85/41/1129938541.db2.gz MMKSBXHPQVHZFN-UHFFFAOYSA-N 0 1 281.440 3.924 20 0 CHADMN C[C@H]1C[C@H](C)N1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000822985686 1131409098 /nfs/dbraw/zinc/40/90/98/1131409098.db2.gz OUZZMJLNTBTHCJ-MWODSPESSA-N 0 1 274.191 3.510 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1 ZINC000901626646 1129939731 /nfs/dbraw/zinc/93/97/31/1129939731.db2.gz BVNIVVHZABCMAS-UKRRQHHQSA-N 0 1 293.382 3.539 20 0 CHADMN C[C@H]1CCCC[C@H]1C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000901645880 1129940959 /nfs/dbraw/zinc/94/09/59/1129940959.db2.gz GFQYKQRBPRPJQJ-JSGCOSHPSA-N 0 1 273.376 3.527 20 0 CHADMN C[C@H]1CCCC[C@@H]1C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000901645879 1129940976 /nfs/dbraw/zinc/94/09/76/1129940976.db2.gz GFQYKQRBPRPJQJ-GXTWGEPZSA-N 0 1 273.376 3.527 20 0 CHADMN CCCCn1nc(C)c(CN(C)CCC2CC2)c1Cl ZINC000770372768 1129945039 /nfs/dbraw/zinc/94/50/39/1129945039.db2.gz GFWSALWHNMKVHO-UHFFFAOYSA-N 0 1 283.847 3.877 20 0 CHADMN Fc1ccc2c(c1)C[N@@H+]([C@H]1CCc3cccc(F)c3C1)C2 ZINC001170999208 1131409531 /nfs/dbraw/zinc/40/95/31/1131409531.db2.gz CITWCDCLPODHLV-INIZCTEOSA-N 0 1 285.337 3.838 20 0 CHADMN CC(C)CC1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000770354077 1129945873 /nfs/dbraw/zinc/94/58/73/1129945873.db2.gz PPEZBOBAJYOOAG-UHFFFAOYSA-N 0 1 277.456 3.896 20 0 CHADMN CC(C)CC1CCN(Cc2cn(C)nc2C(F)F)CC1 ZINC000770656269 1129955764 /nfs/dbraw/zinc/95/57/64/1129955764.db2.gz LKORYVGVBNXUNR-UHFFFAOYSA-N 0 1 285.382 3.616 20 0 CHADMN Cc1sccc1C[NH2+][C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000901851917 1129960886 /nfs/dbraw/zinc/96/08/86/1129960886.db2.gz VOGWHJMJKZSOCC-HNNXBMFYSA-N 0 1 289.400 3.589 20 0 CHADMN CC(C)c1ncc(CN(C)CCSC(C)(C)C)cn1 ZINC000801953045 1129963605 /nfs/dbraw/zinc/96/36/05/1129963605.db2.gz HSVHZYPVSDMPMB-UHFFFAOYSA-N 0 1 281.469 3.564 20 0 CHADMN CCCC[C@H](CC)CC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000901901873 1129964571 /nfs/dbraw/zinc/96/45/71/1129964571.db2.gz WPAJELSTDVBKIX-CWRNSKLLSA-N 0 1 281.440 3.636 20 0 CHADMN CCCC[C@@H](CC)CC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000901901874 1129964658 /nfs/dbraw/zinc/96/46/58/1129964658.db2.gz WPAJELSTDVBKIX-VNQPRFMTSA-N 0 1 281.440 3.636 20 0 CHADMN O=C([O-])[C@@]1(F)C[N@@H+](CCC2CCCCCC2)CC12CCC2 ZINC000901914992 1129965381 /nfs/dbraw/zinc/96/53/81/1129965381.db2.gz LAEKJXAPKLFJGB-KRWDZBQOSA-N 0 1 297.414 3.626 20 0 CHADMN Cc1ccc(-c2cccc(C[N@@H+](CC(=O)[O-])C3CC3)c2)cc1 ZINC000901972058 1129969247 /nfs/dbraw/zinc/96/92/47/1129969247.db2.gz QRAVAHGMEPEFFZ-UHFFFAOYSA-N 0 1 295.382 3.711 20 0 CHADMN CC[C@H](C[N@H+]1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1 ZINC000901997037 1129970338 /nfs/dbraw/zinc/97/03/38/1129970338.db2.gz KXXHTJAMPAIMNN-NVXWUHKLSA-N 0 1 289.419 3.900 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000902011088 1129971350 /nfs/dbraw/zinc/97/13/50/1129971350.db2.gz KIKKYFPCBTURQF-IWCQGFGOSA-N 0 1 293.451 3.778 20 0 CHADMN CC(C)CCCCCC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000771047413 1129971732 /nfs/dbraw/zinc/97/17/32/1129971732.db2.gz XBQPCVJCHHRPMA-UHFFFAOYSA-N 0 1 291.317 3.974 20 0 CHADMN C[C@@H]1CC[N@@H+](CCCC2CCCCC2)[C@H](C(=O)[O-])C1 ZINC000902017235 1129971791 /nfs/dbraw/zinc/97/17/91/1129971791.db2.gz ORMWOOSTMRLIOG-HIFRSBDPSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@@H](C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-])c1ccccc1 ZINC000902022776 1129971869 /nfs/dbraw/zinc/97/18/69/1129971869.db2.gz PUZKXWLRABEBIA-HOCLYGCPSA-N 0 1 277.408 3.611 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](C)c1cccc(Cl)c1 ZINC000902023458 1129972017 /nfs/dbraw/zinc/97/20/17/1129972017.db2.gz XAXCVQBRSYVGBF-WFASDCNBSA-N 0 1 297.826 3.875 20 0 CHADMN CC[C@H](C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-])c1ccccc1 ZINC000902022777 1129972021 /nfs/dbraw/zinc/97/20/21/1129972021.db2.gz PUZKXWLRABEBIA-ZBFHGGJFSA-N 0 1 277.408 3.611 20 0 CHADMN CNc1ccccc1CN[C@@H](C)c1ccc(F)cc1F ZINC000902026904 1129972762 /nfs/dbraw/zinc/97/27/62/1129972762.db2.gz BOEHSQPPGMLPRI-NSHDSACASA-N 0 1 276.330 3.857 20 0 CHADMN CC(C)c1ccc(CC[N@H+]2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC000902039235 1129973473 /nfs/dbraw/zinc/97/34/73/1129973473.db2.gz PETYHVHMFJZKGH-QGZVFWFLSA-N 0 1 289.419 3.682 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1C[C@H]1CC=CCC1 ZINC000902045701 1129973689 /nfs/dbraw/zinc/97/36/89/1129973689.db2.gz INFUVLPGQKQFAF-UAGQMJEPSA-N 0 1 291.435 3.698 20 0 CHADMN CNc1ccccc1CN[C@H](C)c1cc(C)ccc1OC ZINC000902042155 1129973898 /nfs/dbraw/zinc/97/38/98/1129973898.db2.gz KYVQFXDUIXJBCK-CQSZACIVSA-N 0 1 284.403 3.896 20 0 CHADMN FC1(F)[C@@H]2C[C@@H](CNc3ccc4cnccc4c3)C[C@@H]21 ZINC000902070588 1129977779 /nfs/dbraw/zinc/97/77/79/1129977779.db2.gz RGPLOCNWVSGNER-LYILDCAHSA-N 0 1 274.314 3.938 20 0 CHADMN CNc1ccccc1CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000902078668 1129978358 /nfs/dbraw/zinc/97/83/58/1129978358.db2.gz QCQGXBURNPTKBZ-DOMZBBRYSA-N 0 1 270.376 3.735 20 0 CHADMN C[N@@H+](CCC(C)(C)C(=O)[O-])CC12CC3CC(CC(C3)C1)C2 ZINC000902086325 1129978962 /nfs/dbraw/zinc/97/89/62/1129978962.db2.gz LLPDVALVOXZCNK-UHFFFAOYSA-N 0 1 293.451 3.636 20 0 CHADMN CNc1ccccc1CNCc1cc(Cl)ccc1OC ZINC000902122921 1129982486 /nfs/dbraw/zinc/98/24/86/1129982486.db2.gz ZMEZPDIGBXOAQO-UHFFFAOYSA-N 0 1 290.794 3.680 20 0 CHADMN CC(C)(C)/C=C/C(=O)Nc1cc(F)cc(Cl)c1O ZINC000771504097 1129982689 /nfs/dbraw/zinc/98/26/89/1129982689.db2.gz JJXUTEURLOJGII-SNAWJCMRSA-N 0 1 271.719 3.726 20 0 CHADMN CCn1cnc(CN[C@@H](c2ccccc2)C2CCC2)c1 ZINC000902193814 1129987057 /nfs/dbraw/zinc/98/70/57/1129987057.db2.gz DPQDCGNWLVXRQB-KRWDZBQOSA-N 0 1 269.392 3.534 20 0 CHADMN CCn1cnc(CN[C@@H](c2ccccc2C)C(C)C)c1 ZINC000902236125 1129992704 /nfs/dbraw/zinc/99/27/04/1129992704.db2.gz UIXOFJPZWUPHLJ-QGZVFWFLSA-N 0 1 271.408 3.698 20 0 CHADMN CC(C)(CC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)C(=O)[O-] ZINC000902252169 1129993268 /nfs/dbraw/zinc/99/32/68/1129993268.db2.gz FPMVQTRILCZQTN-CYBMUJFWSA-N 0 1 295.810 3.630 20 0 CHADMN CNc1ccc(C)cc1CNCc1c(C)cccc1F ZINC000902278032 1129996067 /nfs/dbraw/zinc/99/60/67/1129996067.db2.gz BOTOPVSDJUUZEG-UHFFFAOYSA-N 0 1 272.367 3.774 20 0 CHADMN Cc1cn[nH]c1CS[C@H](C)c1ccc(F)cc1 ZINC000902306519 1129998609 /nfs/dbraw/zinc/99/86/09/1129998609.db2.gz NWFKKEMQUMTUAH-SNVBAGLBSA-N 0 1 250.342 3.852 20 0 CHADMN CCNc1ccccc1CNCc1ccc(C)cc1OC ZINC000902312997 1129999360 /nfs/dbraw/zinc/99/93/60/1129999360.db2.gz VRKFQGQOZWELOS-UHFFFAOYSA-N 0 1 284.403 3.725 20 0 CHADMN CCc1oc(C[N@H+]2CCCC(C)(C)CC2)cc1C(=O)[O-] ZINC000902313600 1129999509 /nfs/dbraw/zinc/99/95/09/1129999509.db2.gz SJILWTUHKFLIHU-UHFFFAOYSA-N 0 1 279.380 3.552 20 0 CHADMN C[N@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)C[C@@H]1CC=CCC1 ZINC000902342075 1130001195 /nfs/dbraw/zinc/00/11/95/1130001195.db2.gz JGSQSCOGQRCBQQ-GFCCVEGCSA-N 0 1 293.794 3.826 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)O[C@@H]1C=CCCC1 ZINC000772109013 1130004677 /nfs/dbraw/zinc/00/46/77/1130004677.db2.gz VOHOAZZHSZPJJA-OAHLLOKOSA-N 0 1 296.370 3.959 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)C[C@H]2NCc1cccc(C)n1 ZINC000902756266 1130052495 /nfs/dbraw/zinc/05/24/95/1130052495.db2.gz DPVOJDLIGCHCST-BFUOFWGJSA-N 0 1 296.414 3.812 20 0 CHADMN CC[N@@H+](Cc1ccc(-c2ccccc2C(=O)[O-])o1)C1CC1 ZINC000902513264 1130019042 /nfs/dbraw/zinc/01/90/42/1130019042.db2.gz UDQODXYOJDOLOP-UHFFFAOYSA-N 0 1 285.343 3.629 20 0 CHADMN CCCCC[N@@H+](Cc1ccc(/C=C\C(=O)[O-])o1)C(C)C ZINC000902511615 1130019077 /nfs/dbraw/zinc/01/90/77/1130019077.db2.gz MWQOJEXGWNUJNQ-KTKRTIGZSA-N 0 1 279.380 3.778 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902521928 1130019712 /nfs/dbraw/zinc/01/97/12/1130019712.db2.gz VNGXCKJQMXCPQY-DEHGMPOZSA-N 0 1 291.391 3.778 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000902540873 1130022514 /nfs/dbraw/zinc/02/25/14/1130022514.db2.gz GUTVQUJQMFAWAE-IJEWVQPXSA-N 0 1 289.419 3.754 20 0 CHADMN CC(=O)c1ccc(-c2cncc(CN3CCCC3)c2)cc1 ZINC001239632877 1130024797 /nfs/dbraw/zinc/02/47/97/1130024797.db2.gz XXNCAEHBFSBBQK-UHFFFAOYSA-N 0 1 280.371 3.547 20 0 CHADMN CNc1ccccc1CNCc1ccc(C(C)(C)C)o1 ZINC000902634324 1130033518 /nfs/dbraw/zinc/03/35/18/1130033518.db2.gz FZEBPPBTKGRBPZ-UHFFFAOYSA-N 0 1 272.392 3.909 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OC[C@@H]1C[C@@H]1C ZINC000772646985 1130034422 /nfs/dbraw/zinc/03/44/22/1130034422.db2.gz VXFAKGHZCKLBCO-FZMZJTMJSA-N 0 1 284.359 3.506 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cncc(F)c2)cc1C ZINC000902666235 1130036744 /nfs/dbraw/zinc/03/67/44/1130036744.db2.gz NHVHYMBEZBFVPJ-CHWSQXEVSA-N 0 1 288.366 3.950 20 0 CHADMN COc1ccc(C(C)C)cc1-c1ccc2nn[nH]c2c1 ZINC001239659358 1130038078 /nfs/dbraw/zinc/03/80/78/1130038078.db2.gz BTJRDXFTQKPQNE-UHFFFAOYSA-N 0 1 267.332 3.757 20 0 CHADMN COc1ccc(C(C)C)cc1-c1ccc2[nH]nnc2c1 ZINC001239659358 1130038072 /nfs/dbraw/zinc/03/80/72/1130038072.db2.gz BTJRDXFTQKPQNE-UHFFFAOYSA-N 0 1 267.332 3.757 20 0 CHADMN FC(F)COc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1 ZINC000796888787 1130038209 /nfs/dbraw/zinc/03/82/09/1130038209.db2.gz LWJONKIDNRQSJF-ZDUSSCGKSA-N 0 1 293.317 3.543 20 0 CHADMN CCC[C@H](C)c1noc([C@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000785585646 1130040687 /nfs/dbraw/zinc/04/06/87/1130040687.db2.gz MBOVPKAVKFPAPJ-RVMXOQNASA-N 0 1 265.401 3.907 20 0 CHADMN CNc1ccccc1CN[C@H](C)c1cnn(CC2CCC2)c1 ZINC000902703846 1130041330 /nfs/dbraw/zinc/04/13/30/1130041330.db2.gz CHGQKTDENIZYNA-CQSZACIVSA-N 0 1 298.434 3.576 20 0 CHADMN c1ncn2cccc(-c3ccccc3OC3CC3)c12 ZINC001242795332 1130045663 /nfs/dbraw/zinc/04/56/63/1130045663.db2.gz UWDNRMHURNNLSY-UHFFFAOYSA-N 0 1 250.301 3.543 20 0 CHADMN CCN(C(=O)c1ccc2cncn2c1)c1ccc(Cl)cc1 ZINC000785820786 1130057220 /nfs/dbraw/zinc/05/72/20/1130057220.db2.gz GRXGRNPTUCEURF-UHFFFAOYSA-N 0 1 299.761 3.654 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cccc(C)c1C ZINC001239716617 1130070002 /nfs/dbraw/zinc/07/00/02/1130070002.db2.gz WEDHNHRNWOITOG-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN Cc1nc2ccc(NC(=O)C=Cc3ccccc3)cc2[nH]1 ZINC000051224538 1130081759 /nfs/dbraw/zinc/08/17/59/1130081759.db2.gz ZGHCAMSFUHJSFU-YFHOEESVSA-N 0 1 277.327 3.523 20 0 CHADMN CCc1cc(CNC(=O)Nc2ccc(C3CCC3)cc2)n[nH]1 ZINC000786236026 1130084765 /nfs/dbraw/zinc/08/47/65/1130084765.db2.gz NQCYFEMGCREESL-UHFFFAOYSA-N 0 1 298.390 3.561 20 0 CHADMN c1nc2c(ccnc2-c2cncc(Oc3ccccc3)c2)[nH]1 ZINC001239745555 1130086855 /nfs/dbraw/zinc/08/68/55/1130086855.db2.gz NXYRXYPNWOXYIR-UHFFFAOYSA-N 0 1 288.310 3.812 20 0 CHADMN COc1ccc(C)cc1-c1cccc2nc(C)[nH]c21 ZINC001239769718 1130100889 /nfs/dbraw/zinc/10/08/89/1130100889.db2.gz RRSQMEAGEMRTCA-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN CC(=O)OCc1cccc([C@H](C)NCc2ccoc2C)c1 ZINC000903082392 1130109834 /nfs/dbraw/zinc/10/98/34/1130109834.db2.gz RFNGUKYKBPPTOO-LBPRGKRZSA-N 0 1 287.359 3.502 20 0 CHADMN CC(C)[C@@H](Nc1ccc2nc[nH]c2n1)c1ccc(F)cc1 ZINC001170060384 1130109863 /nfs/dbraw/zinc/10/98/63/1130109863.db2.gz OGJIAQJQPNGTOW-OAHLLOKOSA-N 0 1 284.338 3.906 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnn(CC2CCC2)c1)c1ccncc1 ZINC000903100448 1130112613 /nfs/dbraw/zinc/11/26/13/1130112613.db2.gz SMHBIESFNINRJB-RDTXWAMCSA-N 0 1 298.434 3.880 20 0 CHADMN O=C(O[C@@H]1CCc2ccccc21)[C@@H]1CCCN1C1CCCC1 ZINC000786880898 1130121375 /nfs/dbraw/zinc/12/13/75/1130121375.db2.gz IDAZLNXZRQRDEE-ZWKOTPCHSA-N 0 1 299.414 3.624 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2NCc1nccc2c1CCCC2 ZINC000903183353 1130125510 /nfs/dbraw/zinc/12/55/10/1130125510.db2.gz BWQPKNXJRBJRNZ-SFHVURJKSA-N 0 1 296.389 3.877 20 0 CHADMN c1ccc2c(c1)CC[C@H]2NCc1nccc2c1CCCC2 ZINC000903185818 1130125658 /nfs/dbraw/zinc/12/56/58/1130125658.db2.gz XYCKZPKLBCJSKL-GOSISDBHSA-N 0 1 278.399 3.738 20 0 CHADMN C[C@@H](NCCc1ccc2ncccc2c1)c1cscn1 ZINC000903192493 1130127163 /nfs/dbraw/zinc/12/71/63/1130127163.db2.gz JWCOIUAVFPLIKE-GFCCVEGCSA-N 0 1 283.400 3.585 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc(F)nc2C)cc1 ZINC000787047727 1130128211 /nfs/dbraw/zinc/12/82/11/1130128211.db2.gz DCHOLPWAXQIBRH-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN Cc1nc(F)ccc1CN(C)Cc1cccc(Cl)c1 ZINC000787056996 1130130927 /nfs/dbraw/zinc/13/09/27/1130130927.db2.gz MHQGLISAWPQKQB-UHFFFAOYSA-N 0 1 278.758 3.815 20 0 CHADMN Cc1nccc(N[C@@H](c2ccc(F)cc2)C(C)C)c1F ZINC001170068680 1130132798 /nfs/dbraw/zinc/13/27/98/1130132798.db2.gz WSPBYWIGASPAMH-MRXNPFEDSA-N 0 1 276.330 3.899 20 0 CHADMN Cc1nccc(N[C@H](c2ccc(F)cc2)C(C)C)c1F ZINC001170068679 1130133496 /nfs/dbraw/zinc/13/34/96/1130133496.db2.gz WSPBYWIGASPAMH-INIZCTEOSA-N 0 1 276.330 3.899 20 0 CHADMN CCCN(C/C=C/Cl)Cc1ccc(OC)cc1 ZINC000746652761 1130134743 /nfs/dbraw/zinc/13/47/43/1130134743.db2.gz QQETUUNVABMTKB-RUDMXATFSA-N 0 1 253.773 3.660 20 0 CHADMN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1N[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000903253617 1130137763 /nfs/dbraw/zinc/13/77/63/1130137763.db2.gz KYSUFQHGJFUSMH-CCVIWZPMSA-N 0 1 296.389 3.944 20 0 CHADMN Cc1cccc2c1CCN(Cc1scnc1C1CC1)C2 ZINC000787156291 1130138587 /nfs/dbraw/zinc/13/85/87/1130138587.db2.gz CXLLWTBUJZXOHG-UHFFFAOYSA-N 0 1 284.428 3.887 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H]2CCOC23CCCCC3)cs1 ZINC000903267470 1130140348 /nfs/dbraw/zinc/14/03/48/1130140348.db2.gz DESMJTOTHSJQOB-BXUZGUMPSA-N 0 1 280.437 3.594 20 0 CHADMN CC(C)c1ccccc1-c1cc(N2CCOCC2)ccn1 ZINC001239866335 1130141512 /nfs/dbraw/zinc/14/15/12/1130141512.db2.gz GFFVEPPPZJGPRA-UHFFFAOYSA-N 0 1 282.387 3.709 20 0 CHADMN CCS[C@H]1CCCC[C@H]1NCc1ncc(C(C)C)o1 ZINC000787306202 1130145540 /nfs/dbraw/zinc/14/55/40/1130145540.db2.gz KUBBUVLBACEONW-OCCSQVGLSA-N 0 1 282.453 3.952 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncs1)c1cnn(CC2CCC2)c1 ZINC000903304682 1130149580 /nfs/dbraw/zinc/14/95/80/1130149580.db2.gz BXQXLUVBNSPLIM-NEPJUHHUSA-N 0 1 290.436 3.552 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(C(F)F)nc1)c1cncs1 ZINC000903312540 1130151573 /nfs/dbraw/zinc/15/15/73/1130151573.db2.gz WOBHUPIVCVYWDY-RKDXNWHRSA-N 0 1 283.347 3.888 20 0 CHADMN C[C@H](N[C@@H]1CCCc2ccc(O)cc21)c1cncs1 ZINC000903312529 1130151961 /nfs/dbraw/zinc/15/19/61/1130151961.db2.gz WMNWKUDNRIBNAW-IINYFYTJSA-N 0 1 274.389 3.577 20 0 CHADMN Cc1ccccc1C1CC(N[C@@H](c2ncccn2)C2CC2)C1 ZINC000903327798 1130156448 /nfs/dbraw/zinc/15/64/48/1130156448.db2.gz ZEENBPZHGNKLOF-LEOMRAHMSA-N 0 1 293.414 3.772 20 0 CHADMN Cc1c([C@H](C)N[C@@H](c2ccccn2)C2CC2)cnn1C(C)C ZINC000903334448 1130159715 /nfs/dbraw/zinc/15/97/15/1130159715.db2.gz AAOMXERCNPGKQU-SCLBCKFNSA-N 0 1 298.434 3.969 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@H](c1ccccn1)C1CC1 ZINC000903335248 1130160806 /nfs/dbraw/zinc/16/08/06/1130160806.db2.gz MZNPJDSGPWWMSV-ACJLOTCBSA-N 0 1 281.403 3.841 20 0 CHADMN C[C@@H](N[C@@H](c1ccccn1)C1CC1)c1ccc2c(c1)OCO2 ZINC000903337784 1130161793 /nfs/dbraw/zinc/16/17/93/1130161793.db2.gz FJUUCVYMGQEKMQ-KZULUSFZSA-N 0 1 296.370 3.612 20 0 CHADMN S=c1nc2[nH]cnc(-c3cncc4ccccc43)c-2s1 ZINC001239945498 1130164995 /nfs/dbraw/zinc/16/49/95/1130164995.db2.gz UEPXGCJPWXOOOR-UHFFFAOYSA-N 0 1 296.380 3.590 20 0 CHADMN CC[C@H](N[C@H](C)c1c[nH]nc1C)c1cc(F)ccc1OC ZINC000903371621 1130167971 /nfs/dbraw/zinc/16/79/71/1130167971.db2.gz TWQRGLWBLAVGHD-BMIGLBTASA-N 0 1 291.370 3.668 20 0 CHADMN Cc1nc(C)c(CSc2nc3ccc(C)cc3[nH]2)o1 ZINC000788097326 1130173729 /nfs/dbraw/zinc/17/37/29/1130173729.db2.gz UISMLOQQQVXHLZ-UHFFFAOYSA-N 0 1 273.361 3.768 20 0 CHADMN COC1(CN[C@@H]2CCCc3oc(C)nc32)CCCCCC1 ZINC000903419036 1130173917 /nfs/dbraw/zinc/17/39/17/1130173917.db2.gz RCXJOORZDWYOLH-CQSZACIVSA-N 0 1 292.423 3.689 20 0 CHADMN COC1(CN[C@H](C)c2cscn2)CCCCCC1 ZINC000903417959 1130174464 /nfs/dbraw/zinc/17/44/64/1130174464.db2.gz HYLSEPJZPZWVAD-GFCCVEGCSA-N 0 1 268.426 3.533 20 0 CHADMN C[C@@H](N[C@H](c1ccncc1)C1CC1)c1cc(O)cc(F)c1 ZINC000903427886 1130175460 /nfs/dbraw/zinc/17/54/60/1130175460.db2.gz AWDYUWDVUZNGAJ-DIFFPNOSSA-N 0 1 286.350 3.728 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@@H](c1ccncc1)C1CC1 ZINC000903429508 1130177016 /nfs/dbraw/zinc/17/70/16/1130177016.db2.gz VDDQCEOPTKLAJG-FZKQIMNGSA-N 0 1 281.403 3.841 20 0 CHADMN Cl/C=C/CN[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000903445810 1130177400 /nfs/dbraw/zinc/17/74/00/1130177400.db2.gz WAKQQSKCMGBWKP-RNOHYWCBSA-N 0 1 287.794 3.592 20 0 CHADMN Fc1cccc2c1SCC[C@H]2NC/C=C/Cl ZINC000903442351 1130177758 /nfs/dbraw/zinc/17/77/58/1130177758.db2.gz NLYXEFHNRXGJAO-SZHMKSFOSA-N 0 1 257.761 3.705 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+]1CCCC2(CCCCC2)CC1 ZINC000903594359 1130183466 /nfs/dbraw/zinc/18/34/66/1130183466.db2.gz FWZZUFZEJNXBPC-CABCVRRESA-N 0 1 281.440 3.922 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000903597532 1130183621 /nfs/dbraw/zinc/18/36/21/1130183621.db2.gz NVULCETVTGRVJK-PBHICJAKSA-N 0 1 287.403 3.583 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000903594044 1130183721 /nfs/dbraw/zinc/18/37/21/1130183721.db2.gz BOWUAZKOKFSYHN-XJNFMUPTSA-N 0 1 289.419 3.611 20 0 CHADMN C[C@H](C[N@@H+](CCCC(C)(F)F)Cc1ccccc1)C(=O)[O-] ZINC000903596116 1130183813 /nfs/dbraw/zinc/18/38/13/1130183813.db2.gz MCQVULJAYGLNNC-CYBMUJFWSA-N 0 1 299.361 3.645 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000903600024 1130184862 /nfs/dbraw/zinc/18/48/62/1130184862.db2.gz BQJYQWHFYXBVDI-WMLDXEAASA-N 0 1 289.419 3.570 20 0 CHADMN O=C([O-])c1ccc2c(c1)CC[N@H+](CCCC1CCCC1)C2 ZINC000903618529 1130184934 /nfs/dbraw/zinc/18/49/34/1130184934.db2.gz ICLKBLUYWHXRRC-UHFFFAOYSA-N 0 1 287.403 3.713 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC000903608335 1130184942 /nfs/dbraw/zinc/18/49/42/1130184942.db2.gz VHUWINQIBMQOMH-BONVTDFDSA-N 0 1 295.810 3.506 20 0 CHADMN CCCCCC[N@@H+](Cc1ccc(C)o1)CC1(C(=O)[O-])CC1 ZINC000903632575 1130185824 /nfs/dbraw/zinc/18/58/24/1130185824.db2.gz ZZRSOTNRIATUOH-UHFFFAOYSA-N 0 1 293.407 3.835 20 0 CHADMN Cc1nc(-c2cnn(Cc3ccccc3)c2)cc2[nH]ccc21 ZINC001240002869 1130188667 /nfs/dbraw/zinc/18/86/67/1130188667.db2.gz PBMCZYJAKHIABK-UHFFFAOYSA-N 0 1 288.354 3.783 20 0 CHADMN C[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1cccc2ccccc21 ZINC000903696536 1130189955 /nfs/dbraw/zinc/18/99/55/1130189955.db2.gz IUKKSLODVSZCAI-UHFFFAOYSA-N 0 1 297.398 3.917 20 0 CHADMN C[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1ccc(F)cc1Cl ZINC000903696022 1130190559 /nfs/dbraw/zinc/19/05/59/1130190559.db2.gz PQZCLSNCADUAFD-UHFFFAOYSA-N 0 1 299.773 3.556 20 0 CHADMN O=C([O-])C1(CC[N@@H+](C2CC2)[C@H]2CCc3ccccc32)CCC1 ZINC000903697752 1130191511 /nfs/dbraw/zinc/19/15/11/1130191511.db2.gz ZIEMPVVEPDZYQN-KRWDZBQOSA-N 0 1 299.414 3.783 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC000903697659 1130191536 /nfs/dbraw/zinc/19/15/36/1130191536.db2.gz WDDHUSOMFRMEOL-LLVKDONJSA-N 0 1 297.345 3.603 20 0 CHADMN CC1(C)CCC(C)(C)[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC000903706521 1130191916 /nfs/dbraw/zinc/19/19/16/1130191916.db2.gz ITCMLHHOTNAABV-UHFFFAOYSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@H](C[N@@H+](C)CCC1(C(=O)[O-])CCC1)C1CCCCC1 ZINC000903706109 1130192384 /nfs/dbraw/zinc/19/23/84/1130192384.db2.gz DFEZBRJIWDJCOM-CQSZACIVSA-N 0 1 281.440 3.780 20 0 CHADMN CC[C@@H](N[C@@H]1CCc2ccc(Cl)nc21)c1ccncc1 ZINC000788608482 1130195571 /nfs/dbraw/zinc/19/55/71/1130195571.db2.gz GDCDADMUFIYZFW-ZIAGYGMSSA-N 0 1 287.794 3.858 20 0 CHADMN CCC(CC)c1cc(CN[C@H](C)c2cc[nH]c(=O)c2)on1 ZINC000788615622 1130198321 /nfs/dbraw/zinc/19/83/21/1130198321.db2.gz VWIXCVDRFZZCQA-LLVKDONJSA-N 0 1 289.379 3.530 20 0 CHADMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903894293 1130209342 /nfs/dbraw/zinc/20/93/42/1130209342.db2.gz SKNCUHFAHLETNU-GXTWGEPZSA-N 0 1 298.386 3.553 20 0 CHADMN CC[C@]1(C)CCC[N@H+]([C@H](CCc2ccccc2)C(=O)[O-])C1 ZINC000903891863 1130209369 /nfs/dbraw/zinc/20/93/69/1130209369.db2.gz TVUQIGNEYAUVRI-SJLPKXTDSA-N 0 1 289.419 3.585 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@@H](CCc1ccccc1)C(=O)[O-])C(C)(C)C ZINC000903913706 1130209973 /nfs/dbraw/zinc/20/99/73/1130209973.db2.gz SQKGTZRFRRYRED-HOCLYGCPSA-N 0 1 291.435 3.686 20 0 CHADMN COc1ccccc1CN[C@@H]1c2ccccc2NC1(C)C ZINC000903948024 1130211992 /nfs/dbraw/zinc/21/19/92/1130211992.db2.gz LCJDBCVCQUABTP-QGZVFWFLSA-N 0 1 282.387 3.730 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC3CCC2CC3)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903951893 1130213026 /nfs/dbraw/zinc/21/30/26/1130213026.db2.gz IOPPDNNHDBGIIL-KTRWSUIESA-N 0 1 293.451 3.632 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC3CCC2CC3)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903951891 1130213337 /nfs/dbraw/zinc/21/33/37/1130213337.db2.gz IOPPDNNHDBGIIL-AUDLMIEQSA-N 0 1 293.451 3.632 20 0 CHADMN Cc1ccc(C)c(C[N@@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]2C)c1 ZINC000903951689 1130213595 /nfs/dbraw/zinc/21/35/95/1130213595.db2.gz UXKLLRMKDBFHQU-HWMZRRJGSA-N 0 1 289.419 3.623 20 0 CHADMN CN(Cc1nc(-c2ccc3[nH]ccc3c2)no1)CC(C)(C)C ZINC000903979293 1130214074 /nfs/dbraw/zinc/21/40/74/1130214074.db2.gz BNRZTORKVGGXFO-UHFFFAOYSA-N 0 1 298.390 3.696 20 0 CHADMN COc1ccc(F)c(-c2ccc3nc[nH]c3c2C)c1 ZINC001240117309 1130214424 /nfs/dbraw/zinc/21/44/24/1130214424.db2.gz SFFBOCQXAZDAFP-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CCCCN(C)Cn1cc(-c2ccc(C)cc2)cn1 ZINC000748293293 1130227703 /nfs/dbraw/zinc/22/77/03/1130227703.db2.gz HGFYNFGZCAOXME-UHFFFAOYSA-N 0 1 257.381 3.548 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1c2cc[nH]c2ccc1F ZINC001240214537 1130233496 /nfs/dbraw/zinc/23/34/96/1130233496.db2.gz UIVFAAHEJQMSRV-UHFFFAOYSA-N 0 1 281.290 3.859 20 0 CHADMN Cc1nc2cncc(-c3c4cc[nH]c4ccc3F)c2[nH]1 ZINC001240219247 1130236602 /nfs/dbraw/zinc/23/66/02/1130236602.db2.gz CIWKZPLJWDKUFJ-UHFFFAOYSA-N 0 1 266.279 3.554 20 0 CHADMN Cc1nc2c[nH]cc(-c3c4cc[nH]c4ccc3F)c-2n1 ZINC001240219247 1130236608 /nfs/dbraw/zinc/23/66/08/1130236608.db2.gz CIWKZPLJWDKUFJ-UHFFFAOYSA-N 0 1 266.279 3.554 20 0 CHADMN Clc1cccc(CCN2CC[C@@H]3C[C@@H]32)c1Cl ZINC000789300521 1130241502 /nfs/dbraw/zinc/24/15/02/1130241502.db2.gz OOSSXQSZNBUXLD-PWSUYJOCSA-N 0 1 256.176 3.630 20 0 CHADMN C[C@@H]1CC[C@H](NC2(c3ccc(C(F)(F)F)cc3)COC2)C1 ZINC001170104885 1130247366 /nfs/dbraw/zinc/24/73/66/1130247366.db2.gz NUAONPOIWSQROT-RISCZKNCSA-N 0 1 299.336 3.709 20 0 CHADMN CCCC[C@](CC)(N[C@@H]1CC[C@@H](C)C1)C(=O)OCC ZINC001170109332 1130255541 /nfs/dbraw/zinc/25/55/41/1130255541.db2.gz NWFFOAGMYMROPZ-FMKPAKJESA-N 0 1 269.429 3.667 20 0 CHADMN Cn1cnc2ccc(-c3cc(N4CCCCC4)ccn3)cc21 ZINC001240319055 1130265334 /nfs/dbraw/zinc/26/53/34/1130265334.db2.gz YKUGYQNGIANZTE-UHFFFAOYSA-N 0 1 292.386 3.626 20 0 CHADMN ClC1(Cl)C[C@H]1CN1CC[C@@H]1c1ccccc1 ZINC000749115949 1130265586 /nfs/dbraw/zinc/26/55/86/1130265586.db2.gz UUGOSROLJMKNEJ-NWDGAFQWSA-N 0 1 256.176 3.627 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCCN(C)Cc1ccc(Cl)nc1 ZINC000749155475 1130269733 /nfs/dbraw/zinc/26/97/33/1130269733.db2.gz HLXMRTVRAWGNBF-HIFRSBDPSA-N 0 1 296.842 3.762 20 0 CHADMN Cc1nc([C@H](C)NCCOc2ccccc2C)c(C)s1 ZINC000676839025 1130273346 /nfs/dbraw/zinc/27/33/46/1130273346.db2.gz JINKZHCFMLEUFB-LBPRGKRZSA-N 0 1 290.432 3.798 20 0 CHADMN FC(F)(F)CCCCN1CCOc2ccccc2C1 ZINC000676884200 1130273811 /nfs/dbraw/zinc/27/38/11/1130273811.db2.gz SOTGBOHOKZJMQX-UHFFFAOYSA-N 0 1 273.298 3.614 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CCC[C@@H](C2CC2)C1 ZINC000677040310 1130283419 /nfs/dbraw/zinc/28/34/19/1130283419.db2.gz KMZSJFYBANJHLN-WCQYABFASA-N 0 1 277.412 3.550 20 0 CHADMN Fc1cccnc1C1=CCCN(Cc2ccccc2)C1 ZINC001240385019 1130285382 /nfs/dbraw/zinc/28/53/82/1130285382.db2.gz KKBYFZUPGAQTQO-UHFFFAOYSA-N 0 1 268.335 3.510 20 0 CHADMN Fc1cc(C(F)(F)F)ccc1-c1cccc2[nH]nnc21 ZINC001240397441 1130291344 /nfs/dbraw/zinc/29/13/44/1130291344.db2.gz DFCWUKFRCTWVRB-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN Cc1cc(-c2cccc(C(C)(C)O)c2)cc2nc[nH]c21 ZINC001240407081 1130293898 /nfs/dbraw/zinc/29/38/98/1130293898.db2.gz VWSOADUYTOYIKQ-UHFFFAOYSA-N 0 1 266.344 3.766 20 0 CHADMN c1coc(-c2cccc(NCc3[nH]nc4ccccc43)c2)n1 ZINC000677151935 1130294173 /nfs/dbraw/zinc/29/41/73/1130294173.db2.gz FEDATXRNIKDKHO-UHFFFAOYSA-N 0 1 290.326 3.830 20 0 CHADMN CCCN(CCOC)Cc1scc(C)c1Cl ZINC001137285904 1130294228 /nfs/dbraw/zinc/29/42/28/1130294228.db2.gz NQCGNWOLGIFXKK-UHFFFAOYSA-N 0 1 261.818 3.568 20 0 CHADMN Cc1nc2cc(-c3cnn(CCC(C)C)c3)ccc2[nH]1 ZINC001240417736 1130300920 /nfs/dbraw/zinc/30/09/20/1130300920.db2.gz ILIDWTUHACGHMN-UHFFFAOYSA-N 0 1 268.364 3.781 20 0 CHADMN COc1ccc(F)c(F)c1-c1cccc2nc(C)[nH]c21 ZINC001240436207 1130311963 /nfs/dbraw/zinc/31/19/63/1130311963.db2.gz YLKXPDCZZHNFOJ-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN CC(C)N1CC(Nc2cc(Cl)nc3ccc(F)cc32)C1 ZINC001157526256 1130315875 /nfs/dbraw/zinc/31/58/75/1130315875.db2.gz NUENKUXKIBJNHA-UHFFFAOYSA-N 0 1 293.773 3.532 20 0 CHADMN Cc1ccc2ncc(CN3CCC(F)(F)C(C)(C)C3)n2c1 ZINC001137305114 1130318759 /nfs/dbraw/zinc/31/87/59/1130318759.db2.gz ZVHZTZDRTXVHBX-UHFFFAOYSA-N 0 1 293.361 3.510 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CC[C@@H](C(F)(F)F)C1 ZINC000677714406 1130321652 /nfs/dbraw/zinc/32/16/52/1130321652.db2.gz ZVJHLRRZUXERKU-MWLCHTKSSA-N 0 1 261.262 3.771 20 0 CHADMN Cc1cc2cc(-c3cccc(CN(C)C)c3F)cnc2[nH]1 ZINC001240490478 1130324897 /nfs/dbraw/zinc/32/48/97/1130324897.db2.gz XMBSTYCONHJRBI-UHFFFAOYSA-N 0 1 283.350 3.739 20 0 CHADMN CC(C)c1cc(N[C@@H]2CCCc3cn[nH]c32)nc(C(C)C)n1 ZINC000677745304 1130328706 /nfs/dbraw/zinc/32/87/06/1130328706.db2.gz JCMUXLRWFQCTPW-CYBMUJFWSA-N 0 1 299.422 3.936 20 0 CHADMN Cc1sccc1-c1nc(C(C)(C)C)nc2nc[nH]c21 ZINC001240498882 1130331157 /nfs/dbraw/zinc/33/11/57/1130331157.db2.gz ICNWFYLUCCYSIN-UHFFFAOYSA-N 0 1 272.377 3.639 20 0 CHADMN Cc1ccccc1[C@H](C)OC(=O)c1ccc2cncn2c1 ZINC000790850361 1130333660 /nfs/dbraw/zinc/33/36/60/1130333660.db2.gz MYJCMKXFAKPEQX-ZDUSSCGKSA-N 0 1 280.327 3.561 20 0 CHADMN CC(=CC(=O)Nc1cc2cn[nH]c2cc1C)c1ccccc1 ZINC000791051504 1130348228 /nfs/dbraw/zinc/34/82/28/1130348228.db2.gz JILPTNMXXAWFCE-FMIVXFBMSA-N 0 1 291.354 3.913 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H](F)c1ccccc1 ZINC000791052561 1130348312 /nfs/dbraw/zinc/34/83/12/1130348312.db2.gz XZUAFPPFXWIPQQ-OAHLLOKOSA-N 0 1 283.306 3.521 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C=Cc1cccc(F)c1 ZINC000791057153 1130348666 /nfs/dbraw/zinc/34/86/66/1130348666.db2.gz MGUSVYYONRJXDZ-AATRIKPKSA-N 0 1 295.317 3.662 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C(F)=C1CCCC1 ZINC000791057463 1130349115 /nfs/dbraw/zinc/34/91/15/1130349115.db2.gz VLMHQEJHMYXGKN-UHFFFAOYSA-N 0 1 273.311 3.607 20 0 CHADMN Cc1cc(C)c(CN2CCN(c3ccc(C)c(C)c3)CC2)[nH]1 ZINC001137321404 1130349696 /nfs/dbraw/zinc/34/96/96/1130349696.db2.gz KFORSUKZQACKIM-UHFFFAOYSA-N 0 1 297.446 3.571 20 0 CHADMN Cc1cc(C)c(CN2CCN(c3cc(C)ccc3C)CC2)[nH]1 ZINC001137321541 1130350383 /nfs/dbraw/zinc/35/03/83/1130350383.db2.gz PYLPZHWXJFPESD-UHFFFAOYSA-N 0 1 297.446 3.571 20 0 CHADMN CCc1cc(CN[C@@H]2C[C@H](C)c3c2cccc3C)on1 ZINC000678115723 1130350614 /nfs/dbraw/zinc/35/06/14/1130350614.db2.gz YUEDFYLLPIATFP-BLLLJJGKSA-N 0 1 270.376 3.884 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)Cc1n[nH]c2ccccc21 ZINC000678128081 1130354956 /nfs/dbraw/zinc/35/49/56/1130354956.db2.gz LEMVNUFIVYNBFA-GFCCVEGCSA-N 0 1 283.350 3.895 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)Cc1[nH]nc2ccccc21 ZINC000678128081 1130354961 /nfs/dbraw/zinc/35/49/61/1130354961.db2.gz LEMVNUFIVYNBFA-GFCCVEGCSA-N 0 1 283.350 3.895 20 0 CHADMN CN(Cc1cncs1)[C@H]1CCCc2ccccc21 ZINC000678125247 1130355976 /nfs/dbraw/zinc/35/59/76/1130355976.db2.gz RULBHQWPAVBCDP-HNNXBMFYSA-N 0 1 258.390 3.653 20 0 CHADMN CCN(Cc1cn2cccc(F)c2n1)Cc1ccc(C)cc1 ZINC000678140145 1130358968 /nfs/dbraw/zinc/35/89/68/1130358968.db2.gz KFGZSRZTQLMBPF-UHFFFAOYSA-N 0 1 297.377 3.804 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc2ccn(C)c2c1 ZINC001240574509 1130368000 /nfs/dbraw/zinc/36/80/00/1130368000.db2.gz OLQKMUIYGPQVFR-UHFFFAOYSA-N 0 1 277.327 3.730 20 0 CHADMN Cc1nc2cccc(-c3ccc(N4CCCCC4)nc3)c2[nH]1 ZINC001240584175 1130372248 /nfs/dbraw/zinc/37/22/48/1130372248.db2.gz CPHVDMAHLFVQTD-UHFFFAOYSA-N 0 1 292.386 3.924 20 0 CHADMN c1cn(-c2ccnc(-c3ccc(N4CCCC4)cc3)c2)cn1 ZINC001240587877 1130374722 /nfs/dbraw/zinc/37/47/22/1130374722.db2.gz DGIVAZKHUGPSNA-UHFFFAOYSA-N 0 1 290.370 3.535 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1nn(C)c2ccccc12 ZINC000678241825 1130378192 /nfs/dbraw/zinc/37/81/92/1130378192.db2.gz PAVNBVHJFQMVHG-AWEZNQCLSA-N 0 1 291.398 3.693 20 0 CHADMN Clc1cscc1CN1CCCC2(CCOCC2)C1 ZINC000678269423 1130385402 /nfs/dbraw/zinc/38/54/02/1130385402.db2.gz VDNRMOUERPMLMX-UHFFFAOYSA-N 0 1 285.840 3.794 20 0 CHADMN COCCOc1ccccc1CN1C2CCCC1CCC2 ZINC000678279323 1130389692 /nfs/dbraw/zinc/38/96/92/1130389692.db2.gz OKQBAULCTSHBLT-UHFFFAOYSA-N 0 1 289.419 3.619 20 0 CHADMN CCN(CCc1nccs1)Cc1cscc1Cl ZINC000678283662 1130391095 /nfs/dbraw/zinc/39/10/95/1130391095.db2.gz HFNPFYLIKBBAMI-UHFFFAOYSA-N 0 1 286.853 3.923 20 0 CHADMN Cc1cc(C)c(C[N@H+]2CCC[C@@H](OCc3ccccc3)C2)[nH]1 ZINC001137330776 1130392917 /nfs/dbraw/zinc/39/29/17/1130392917.db2.gz BAUQZRNFOFTVHS-GOSISDBHSA-N 0 1 298.430 3.813 20 0 CHADMN CC[C@H](C[N@H+]1CCO[C@H](c2ccco2)C1)c1ccccc1 ZINC000678294503 1130394102 /nfs/dbraw/zinc/39/41/02/1130394102.db2.gz JYBBGWRWBOXWID-QAPCUYQASA-N 0 1 285.387 3.847 20 0 CHADMN CC[C@H](CN1CCO[C@H](c2ccco2)C1)c1ccccc1 ZINC000678294503 1130394109 /nfs/dbraw/zinc/39/41/09/1130394109.db2.gz JYBBGWRWBOXWID-QAPCUYQASA-N 0 1 285.387 3.847 20 0 CHADMN COC[C@@H]1CCC[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC000678333855 1130400537 /nfs/dbraw/zinc/40/05/37/1130400537.db2.gz NCPDPTAFCGKOAQ-NSHDSACASA-N 0 1 279.767 3.697 20 0 CHADMN COc1cc(-c2nc(C)cc3[nH]ccc32)cc(F)c1F ZINC001240659955 1130405911 /nfs/dbraw/zinc/40/59/11/1130405911.db2.gz ATYQHLMHODWJGP-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN COc1cc(-c2cccc(CN(C)C)c2F)cc(F)c1F ZINC001240663187 1130408842 /nfs/dbraw/zinc/40/88/42/1130408842.db2.gz IKBMBMJTJXCKIH-UHFFFAOYSA-N 0 1 295.304 3.841 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1cnc(CC(C)C)s1 ZINC000678362894 1130409505 /nfs/dbraw/zinc/40/95/05/1130409505.db2.gz SHVNTKWVXFHQDW-CYBMUJFWSA-N 0 1 289.448 3.896 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccccn2)c(C)n1 ZINC000678411540 1130412412 /nfs/dbraw/zinc/41/24/12/1130412412.db2.gz FGDYTQOKGBAQRJ-KGLIPLIRSA-N 0 1 255.365 3.505 20 0 CHADMN COc1cccc2c1OCC[C@H]2N[C@@H](C)c1cnccc1C ZINC000678425857 1130415325 /nfs/dbraw/zinc/41/53/25/1130415325.db2.gz CWTXUCDDYNABQV-XJKSGUPXSA-N 0 1 298.386 3.573 20 0 CHADMN C[C@@H]1CCN(Cc2noc3c2CCCC3)CC12CCC2 ZINC000678469360 1130419191 /nfs/dbraw/zinc/41/91/91/1130419191.db2.gz RIDMFGPGTYFGHT-CYBMUJFWSA-N 0 1 274.408 3.566 20 0 CHADMN c1csc([C@@H](NCc2nc3c(s2)CCC3)C2CC2)c1 ZINC000678494691 1130422207 /nfs/dbraw/zinc/42/22/07/1130422207.db2.gz ANVNWFVEBPJUHT-HNNXBMFYSA-N 0 1 290.457 3.934 20 0 CHADMN COC[C@@H](N[C@H](C)c1ccc(C)nc1C)c1ccccc1 ZINC000678589389 1130433095 /nfs/dbraw/zinc/43/30/95/1130433095.db2.gz XACHSTHIKXMJGQ-CRAIPNDOSA-N 0 1 284.403 3.737 20 0 CHADMN Cc1ccnc(CN2Cc3ccccc3[C@H](C)C2)c1 ZINC000792205656 1130439954 /nfs/dbraw/zinc/43/99/54/1130439954.db2.gz XZIBMXLRIZPQLV-CQSZACIVSA-N 0 1 252.361 3.509 20 0 CHADMN CC(C)Cn1ccnc1CN[C@@H]1c2ccccc2CC[C@@H]1C ZINC000678771645 1130452473 /nfs/dbraw/zinc/45/24/73/1130452473.db2.gz WQMNJNTWFNOAOU-KXBFYZLASA-N 0 1 297.446 3.952 20 0 CHADMN COCOc1cc(C)ccc1-c1ccc2nc[nH]c2c1 ZINC001240747871 1130452935 /nfs/dbraw/zinc/45/29/35/1130452935.db2.gz SJFRJNYMSTWMBT-UHFFFAOYSA-N 0 1 268.316 3.521 20 0 CHADMN CC1(C)CN(Cc2n[nH]c3ccccc32)Cc2ccccc21 ZINC001137351049 1130457117 /nfs/dbraw/zinc/45/71/17/1130457117.db2.gz MXZHYABDIIEOQY-UHFFFAOYSA-N 0 1 291.398 3.856 20 0 CHADMN CC1(C)CN(Cc2[nH]nc3ccccc32)Cc2ccccc21 ZINC001137351049 1130457123 /nfs/dbraw/zinc/45/71/23/1130457123.db2.gz MXZHYABDIIEOQY-UHFFFAOYSA-N 0 1 291.398 3.856 20 0 CHADMN c1ccc([C@H]2CCCN2Cc2nc3c(s2)CCC3)cc1 ZINC000678812551 1130458032 /nfs/dbraw/zinc/45/80/32/1130458032.db2.gz ABNVIDBKXLOCBA-OAHLLOKOSA-N 0 1 284.428 3.969 20 0 CHADMN COCc1cnc(CN(C2CC2)C2CCCCC2)s1 ZINC000678815181 1130459196 /nfs/dbraw/zinc/45/91/96/1130459196.db2.gz SRWCFLGSGUHUNR-UHFFFAOYSA-N 0 1 280.437 3.587 20 0 CHADMN CCc1nn(C)cc1CN(CC)[C@@H](C)c1ccc(F)cc1 ZINC000678817399 1130459256 /nfs/dbraw/zinc/45/92/56/1130459256.db2.gz BERRBFNDZKNHRY-ZDUSSCGKSA-N 0 1 289.398 3.705 20 0 CHADMN Cn1cc(CN2C3CCCC2CCC3)c(-c2ccccc2)n1 ZINC000678838782 1130463951 /nfs/dbraw/zinc/46/39/51/1130463951.db2.gz YZKIFVHGLGSHBP-UHFFFAOYSA-N 0 1 295.430 3.994 20 0 CHADMN C[C@H](Cc1ccccc1Cl)N[C@H](C)c1ncc(F)cn1 ZINC001170256526 1130468358 /nfs/dbraw/zinc/46/83/58/1130468358.db2.gz LEWNJFPNABEWEE-GHMZBOCLSA-N 0 1 293.773 3.551 20 0 CHADMN CCC(CC)CNC1(c2noc(C)n2)CCCCCC1 ZINC000678923063 1130470778 /nfs/dbraw/zinc/47/07/78/1130470778.db2.gz YBQXOYFRJQXLNQ-UHFFFAOYSA-N 0 1 279.428 3.953 20 0 CHADMN Cc1ccc2nc(CNCc3ccccc3C3CC3)cn2c1 ZINC000678931865 1130474183 /nfs/dbraw/zinc/47/41/83/1130474183.db2.gz QIBDIYJWBKMKOG-UHFFFAOYSA-N 0 1 291.398 3.810 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)NCc1ncc(F)cc1F ZINC001170255827 1130475355 /nfs/dbraw/zinc/47/53/55/1130475355.db2.gz ZTTADISDRYIELC-JTQLQIEISA-N 0 1 296.748 3.734 20 0 CHADMN CCCCN(CC)Cc1nc2c(s1)CCCC2 ZINC000678942906 1130476138 /nfs/dbraw/zinc/47/61/38/1130476138.db2.gz WZIBBTGDERYQLR-UHFFFAOYSA-N 0 1 252.427 3.644 20 0 CHADMN C[C@H](CNc1cnn(-c2ccncc2)c1)c1ccc(F)cc1 ZINC000678954724 1130478795 /nfs/dbraw/zinc/47/87/95/1130478795.db2.gz OOLARLJQPJVWPL-CYBMUJFWSA-N 0 1 296.349 3.622 20 0 CHADMN C[C@H](Cc1ccccc1Cl)N1CCc2cccnc2C1 ZINC001170283921 1130478852 /nfs/dbraw/zinc/47/88/52/1130478852.db2.gz BYBPPOBGFSDEAW-CYBMUJFWSA-N 0 1 286.806 3.724 20 0 CHADMN C[C@@H](N(C)Cc1nc2c(s1)CCCC2)C1(C)CC1 ZINC000678993784 1130480165 /nfs/dbraw/zinc/48/01/65/1130480165.db2.gz XWEHWWJAXJGXHS-LLVKDONJSA-N 0 1 264.438 3.642 20 0 CHADMN CC[C@@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000678972172 1130480329 /nfs/dbraw/zinc/48/03/29/1130480329.db2.gz WHMDDZVKVHSXCW-GFCCVEGCSA-N 0 1 264.438 3.644 20 0 CHADMN COc1cccc(C2(N[C@H](C)c3cnc(C)s3)CC2)c1 ZINC000679062461 1130488915 /nfs/dbraw/zinc/48/89/15/1130488915.db2.gz GZIDGMCKQDEPOJ-LLVKDONJSA-N 0 1 288.416 3.800 20 0 CHADMN CN1CCN(c2ccc(-c3ccc4c(c3)C=CC4)cc2)CC1 ZINC001240854540 1130493005 /nfs/dbraw/zinc/49/30/05/1130493005.db2.gz CKUIHZUTMYIGPA-UHFFFAOYSA-N 0 1 290.410 3.675 20 0 CHADMN COc1ccc2c(c1)C[C@H](Nc1nc(C)ccc1C)CC2 ZINC001170410947 1130493259 /nfs/dbraw/zinc/49/32/59/1130493259.db2.gz QIYHKGWOQUBNLS-MRXNPFEDSA-N 0 1 282.387 3.676 20 0 CHADMN CC[C@H](Cc1ccc2c(c1)OCO2)N[C@@H]1CCCC1(F)F ZINC001170418836 1130494612 /nfs/dbraw/zinc/49/46/12/1130494612.db2.gz BQFGBCUPDDKENP-IUODEOHRSA-N 0 1 297.345 3.514 20 0 CHADMN C[C@@H]1CCC[C@H](C)[C@H]1Nc1cnn(-c2ccncc2)c1 ZINC000679128075 1130495756 /nfs/dbraw/zinc/49/57/56/1130495756.db2.gz RPMJVGRUQGCMNR-VIKVFOODSA-N 0 1 270.380 3.504 20 0 CHADMN C[C@@]12CCN(Cc3cccc(F)c3)C[C@@H]1C2(Cl)Cl ZINC000792905893 1130505229 /nfs/dbraw/zinc/50/52/29/1130505229.db2.gz NCUDLQKYVVHMPC-QWHCGFSZSA-N 0 1 288.193 3.841 20 0 CHADMN Cc1cc(CN2CC=CCC2)nc(-c2ccc(Cl)cc2)n1 ZINC000679324000 1130514613 /nfs/dbraw/zinc/51/46/13/1130514613.db2.gz YPAQTNMKUMBORK-UHFFFAOYSA-N 0 1 299.805 3.867 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](NCc1ccnn1C)C(C)C ZINC000747100338 1130517201 /nfs/dbraw/zinc/51/72/01/1130517201.db2.gz XSAVQZFQDUUAEM-KRWDZBQOSA-N 0 1 297.402 3.962 20 0 CHADMN CC(C)(C)c1nn(-c2ccccc2)cc1CN1CC=CCC1 ZINC000679358517 1130519772 /nfs/dbraw/zinc/51/97/72/1130519772.db2.gz HTOUZBNROLFOBG-UHFFFAOYSA-N 0 1 295.430 3.932 20 0 CHADMN CC[C@H](C)n1ncc(N[C@H](C)c2cn[nH]c2C)c1C1CC1 ZINC000679364406 1130521686 /nfs/dbraw/zinc/52/16/86/1130521686.db2.gz CYOAMWUIFBDWIH-WDEREUQCSA-N 0 1 287.411 3.936 20 0 CHADMN CC(C)[C@@H](C)N[C@H](CCc1ccccc1)C(F)F ZINC000679373862 1130523635 /nfs/dbraw/zinc/52/36/35/1130523635.db2.gz UETATNVPHKCEHD-TZMCWYRMSA-N 0 1 255.352 3.887 20 0 CHADMN CCCOc1ccc2c(c1)CCN(Cc1ccc(O)cc1)C2 ZINC000679392754 1130526454 /nfs/dbraw/zinc/52/64/54/1130526454.db2.gz PNRXFCCFARNTNV-UHFFFAOYSA-N 0 1 297.398 3.739 20 0 CHADMN CCOc1cc(Cl)ccc1CNCc1ccc(O)cc1 ZINC000679400957 1130527145 /nfs/dbraw/zinc/52/71/45/1130527145.db2.gz SOAWVGJQOBGEAE-UHFFFAOYSA-N 0 1 291.778 3.734 20 0 CHADMN FC(F)[C@H](CCc1ccccc1)NCC1CCSCC1 ZINC000679394782 1130527234 /nfs/dbraw/zinc/52/72/34/1130527234.db2.gz QEGJOTHKLNZFHD-HNNXBMFYSA-N 0 1 299.430 3.986 20 0 CHADMN Cc1cccc(-c2ccc(CNCc3cn[nH]c3)cc2)c1 ZINC000679422894 1130528365 /nfs/dbraw/zinc/52/83/65/1130528365.db2.gz GPHUXJYRNHOBCI-UHFFFAOYSA-N 0 1 277.371 3.675 20 0 CHADMN COCc1ccc(-c2nc[nH]c3nc(=S)sc2-3)cc1 ZINC001240951571 1130531094 /nfs/dbraw/zinc/53/10/94/1130531094.db2.gz LJQMROGOWAEGIU-UHFFFAOYSA-N 0 1 289.385 3.514 20 0 CHADMN Cc1c[nH]c2ncc(-c3ccc4nc(C)[nH]c4c3)cc12 ZINC001240956655 1130534971 /nfs/dbraw/zinc/53/49/71/1130534971.db2.gz GZXMILPHSZRUEY-UHFFFAOYSA-N 0 1 262.316 3.723 20 0 CHADMN CC(C)(N[C@H]1CCC[C@H](C(F)(F)F)C1)C(F)F ZINC000793255952 1130536047 /nfs/dbraw/zinc/53/60/47/1130536047.db2.gz WSMHNNAKKLASRP-YUMQZZPRSA-N 0 1 259.262 3.741 20 0 CHADMN Cc1nc(CCN2C[C@H](C(F)(F)F)CC[C@@H]2C)cs1 ZINC000679540698 1130537540 /nfs/dbraw/zinc/53/75/40/1130537540.db2.gz ODWYPZQWDUFYHH-GXSJLCMTSA-N 0 1 292.370 3.657 20 0 CHADMN Cc1cccnc1CN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679543562 1130537771 /nfs/dbraw/zinc/53/77/71/1130537771.db2.gz VKLCYEMMAOHKKX-NWDGAFQWSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1cccnc1CN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679543566 1130538012 /nfs/dbraw/zinc/53/80/12/1130538012.db2.gz VKLCYEMMAOHKKX-VXGBXAGGSA-N 0 1 272.314 3.553 20 0 CHADMN CC(C)(C)c1ccc(CNCc2cccnc2F)cc1 ZINC000793288128 1130539057 /nfs/dbraw/zinc/53/90/57/1130539057.db2.gz DUDNRNKBDCYCKO-UHFFFAOYSA-N 0 1 272.367 3.808 20 0 CHADMN C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1cccc(F)c1 ZINC000679545145 1130539474 /nfs/dbraw/zinc/53/94/74/1130539474.db2.gz JLLFGQVUHLPQSK-PWSUYJOCSA-N 0 1 275.289 3.989 20 0 CHADMN Cc1c[nH]c2ncc(-c3cc4nc[nH]c4cc3F)cc12 ZINC001240969509 1130543987 /nfs/dbraw/zinc/54/39/87/1130543987.db2.gz UMPRMQWNORYSDE-UHFFFAOYSA-N 0 1 266.279 3.554 20 0 CHADMN CC(C)(C)[C@@H](NC1CSC1)c1ccc(F)cc1F ZINC000679627386 1130547057 /nfs/dbraw/zinc/54/70/57/1130547057.db2.gz MJFHWRXFKFEJHA-ZDUSSCGKSA-N 0 1 271.376 3.757 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1cc(F)c(F)c(F)c1 ZINC001240979921 1130547901 /nfs/dbraw/zinc/54/79/01/1130547901.db2.gz KUPGKABMTBNVGX-UHFFFAOYSA-N 0 1 262.234 3.956 20 0 CHADMN CC(C)Oc1ccc(CN2CCC[C@@H](OC(F)F)C2)cc1 ZINC000679679784 1130550452 /nfs/dbraw/zinc/55/04/52/1130550452.db2.gz VHPPLEWOXYAAFJ-OAHLLOKOSA-N 0 1 299.361 3.677 20 0 CHADMN Fc1ccc(/C=C\CN2CCC[C@@H](OC(F)F)C2)cc1 ZINC000679741195 1130555006 /nfs/dbraw/zinc/55/50/06/1130555006.db2.gz WUUZVSHTYMDUAV-NPPUXFBVSA-N 0 1 285.309 3.543 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(-c3ccncc3)c2)CCC1=O ZINC001137388455 1130555757 /nfs/dbraw/zinc/55/57/57/1130555757.db2.gz DHSBQFKZBVGMIQ-OAHLLOKOSA-N 0 1 294.398 3.550 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3ccncc3)c2)CCCC1=O ZINC001137387470 1130556527 /nfs/dbraw/zinc/55/65/27/1130556527.db2.gz NMCUBRBAVRQEHT-OAHLLOKOSA-N 0 1 294.398 3.550 20 0 CHADMN Fc1ccc(-c2cc3nc[nH]c3cc2F)c(F)c1F ZINC001240992747 1130556706 /nfs/dbraw/zinc/55/67/06/1130556706.db2.gz OXCUSFOPRSLLBD-UHFFFAOYSA-N 0 1 266.197 3.786 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(C(F)(F)F)cc2)n(C)n1 ZINC000793513442 1130560876 /nfs/dbraw/zinc/56/08/76/1130560876.db2.gz BPQWUJRZSVTDLQ-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN Fc1ccc2nc(-c3cccc4cnccc43)[nH]c2c1 ZINC000679923800 1130562046 /nfs/dbraw/zinc/56/20/46/1130562046.db2.gz KRCHKDICYPVVBN-UHFFFAOYSA-N 0 1 263.275 3.917 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCc3c2cccc3Cl)n(C)n1 ZINC000793526184 1130562984 /nfs/dbraw/zinc/56/29/84/1130562984.db2.gz KOTFKULYMIAFRQ-XHDPSFHLSA-N 0 1 289.810 3.720 20 0 CHADMN COc1ccc(-c2ccnc(-c3ccccc3O)n2)cc1 ZINC001241008387 1130563676 /nfs/dbraw/zinc/56/36/76/1130563676.db2.gz PEFHVVROQRBFNC-UHFFFAOYSA-N 0 1 278.311 3.525 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCc3cc(Cl)ccc32)n(C)n1 ZINC000793527583 1130564556 /nfs/dbraw/zinc/56/45/56/1130564556.db2.gz OADRMQFTJSYMAI-NHYWBVRUSA-N 0 1 289.810 3.720 20 0 CHADMN Cc1cc([C@@H](C)NCc2oc3ccccc3c2C)n(C)n1 ZINC000793542014 1130566636 /nfs/dbraw/zinc/56/66/36/1130566636.db2.gz OLVXOGWYYIBSFM-CYBMUJFWSA-N 0 1 283.375 3.634 20 0 CHADMN COc1cccc(F)c1-c1cccc(CN(C)C)c1F ZINC001241013842 1130566761 /nfs/dbraw/zinc/56/67/61/1130566761.db2.gz LOOJNENHUVHJRK-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN COc1c(C)cc(-c2cc(N)c(C(F)(F)F)cn2)cc1C ZINC001241015916 1130568560 /nfs/dbraw/zinc/56/85/60/1130568560.db2.gz OYFANZXREHQFOD-UHFFFAOYSA-N 0 1 296.292 3.975 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)C1(F)CCCCC1 ZINC000811119995 1130590663 /nfs/dbraw/zinc/59/06/63/1130590663.db2.gz FZOBTQSSEOQIEK-UHFFFAOYSA-N 0 1 289.709 3.796 20 0 CHADMN Cc1c[nH]nc1CN1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000811457363 1130610694 /nfs/dbraw/zinc/61/06/94/1130610694.db2.gz AWKGNFFFYPOHAF-UHFFFAOYSA-N 0 1 294.402 3.579 20 0 CHADMN CCC(CC)N(CC)Cc1c(Cl)nccc1N(C)C ZINC001234143874 1130610826 /nfs/dbraw/zinc/61/08/26/1130610826.db2.gz ZDSNJHCXZUIZMZ-UHFFFAOYSA-N 0 1 283.847 3.812 20 0 CHADMN CCCCc1ccc(N(C)Cc2[nH]ncc2C)cc1 ZINC000811488406 1130613089 /nfs/dbraw/zinc/61/30/89/1130613089.db2.gz WBOGIEXRHUABTP-UHFFFAOYSA-N 0 1 257.381 3.697 20 0 CHADMN CCc1nn(C)c(Cl)c1CN1CCC(C)(C2CC2)CC1 ZINC000811514034 1130619883 /nfs/dbraw/zinc/61/98/83/1130619883.db2.gz AJVFIGIDJGSLSX-UHFFFAOYSA-N 0 1 295.858 3.648 20 0 CHADMN CCN(CC)CC(=O)N(CC)c1ccc2ccccc2c1 ZINC000747733691 1130634718 /nfs/dbraw/zinc/63/47/18/1130634718.db2.gz WHSVSWUBXVCRLJ-UHFFFAOYSA-N 0 1 284.403 3.535 20 0 CHADMN C[C@@H](CN1CCSC[C@H]1c1ccccc1)C(F)(F)F ZINC000441170898 1130637132 /nfs/dbraw/zinc/63/71/32/1130637132.db2.gz NWFXNXNZBZMBCG-AAEUAGOBSA-N 0 1 289.366 3.975 20 0 CHADMN Cc1cc(C(F)(F)F)nn1CN(C1CC1)C1CCCC1 ZINC000811732374 1130642328 /nfs/dbraw/zinc/64/23/28/1130642328.db2.gz QPDWNZATOARCIG-UHFFFAOYSA-N 0 1 287.329 3.575 20 0 CHADMN CC[N@@H+](Cn1nc(C(F)(F)F)cc1C)[C@H](C)C(C)C ZINC000811737545 1130642507 /nfs/dbraw/zinc/64/25/07/1130642507.db2.gz NEECGEADHNZHIC-LLVKDONJSA-N 0 1 277.334 3.534 20 0 CHADMN CC(C)C[C@H]1CCCN(Cc2cccnc2Cl)C1 ZINC000759391146 1130653878 /nfs/dbraw/zinc/65/38/78/1130653878.db2.gz JPSHLBLTSLCKQP-CYBMUJFWSA-N 0 1 266.816 3.993 20 0 CHADMN CN(C)Cc1cccc(-c2cccc(C3CC3)n2)c1F ZINC001244864864 1130666396 /nfs/dbraw/zinc/66/63/96/1130666396.db2.gz SBPPKBMPBNKSGB-UHFFFAOYSA-N 0 1 270.351 3.827 20 0 CHADMN CN(C)Cc1cccc(-c2cccc(OC(F)F)n2)c1F ZINC001244865121 1130667608 /nfs/dbraw/zinc/66/76/08/1130667608.db2.gz USMZIULRDSBGHE-UHFFFAOYSA-N 0 1 296.292 3.551 20 0 CHADMN O=C(Nc1nc2ccc(Cl)cc2[nH]1)[C@H]1CCC[C@@H](F)C1 ZINC001133191211 1130673380 /nfs/dbraw/zinc/67/33/80/1130673380.db2.gz YLJXFGUUQDWOGM-WCBMZHEXSA-N 0 1 295.745 3.683 20 0 CHADMN C[C@@H](Cc1ccccn1)NCc1c(F)cc(Cl)cc1F ZINC001256398611 1130674523 /nfs/dbraw/zinc/67/45/23/1130674523.db2.gz DKYXKUCAAZEGFD-JTQLQIEISA-N 0 1 296.748 3.734 20 0 CHADMN CCCCCN(CCCOC)C/C(Cl)=C\Cl ZINC000780378821 1130679790 /nfs/dbraw/zinc/67/97/90/1130679790.db2.gz HPDCQRWYSNYRQA-ZRDIBKRKSA-N 0 1 268.228 3.834 20 0 CHADMN CCCNC(=S)Nc1ccccc1SC(C)C ZINC001244890205 1130682283 /nfs/dbraw/zinc/68/22/83/1130682283.db2.gz QQUSTWPMBDBRFU-UHFFFAOYSA-N 0 1 268.451 3.884 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@H](C)c1ccc(F)cn1)CCC2 ZINC000780745505 1130689750 /nfs/dbraw/zinc/68/97/50/1130689750.db2.gz JPIPCHWRSWFEDW-RNCFNFMXSA-N 0 1 291.395 3.714 20 0 CHADMN COCC[C@@H](NCc1cncc2ccccc21)c1ccco1 ZINC000780790413 1130693247 /nfs/dbraw/zinc/69/32/47/1130693247.db2.gz WBVDKWAXCPTZOI-QGZVFWFLSA-N 0 1 296.370 3.695 20 0 CHADMN c1cncc(Oc2ccc(CN3CC4(CCC4)C3)cc2)c1 ZINC001235111804 1130711320 /nfs/dbraw/zinc/71/13/20/1130711320.db2.gz ZHKDAXNTODIAAF-UHFFFAOYSA-N 0 1 280.371 3.860 20 0 CHADMN Cc1ncc2c(n1)CCC[C@@H]2N[C@H]1CCc2c1cccc2F ZINC000747815068 1130714355 /nfs/dbraw/zinc/71/43/55/1130714355.db2.gz ARJNERQYNKNJEZ-ROUUACIJSA-N 0 1 297.377 3.579 20 0 CHADMN COC[C@@H]1CCN(Cc2c(Cl)cc(C)cc2Cl)C1 ZINC001235177720 1130719232 /nfs/dbraw/zinc/71/92/32/1130719232.db2.gz TVUXKTSSVQHCHZ-LLVKDONJSA-N 0 1 288.218 3.770 20 0 CHADMN Cc1cc(F)c(CN2CC[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC001235190848 1130721505 /nfs/dbraw/zinc/72/15/05/1130721505.db2.gz SQVIDRSCUMECHY-QWHCGFSZSA-N 0 1 265.347 3.895 20 0 CHADMN Fc1cc(F)c2c(c1)CC[C@H](N1CCCC[C@H](F)C1)C2 ZINC001170690149 1130723831 /nfs/dbraw/zinc/72/38/31/1130723831.db2.gz PELMIXCHMBNAKD-JSGCOSHPSA-N 0 1 283.337 3.646 20 0 CHADMN CN(Cc1cc2cccc(F)c2[nH]1)Cc1cccc(O)c1 ZINC001235235849 1130725503 /nfs/dbraw/zinc/72/55/03/1130725503.db2.gz YGYLZRCMGSALBI-UHFFFAOYSA-N 0 1 284.334 3.645 20 0 CHADMN CCc1cccc(CN2CCc3c(C)cccc3C2)n1 ZINC001235252294 1130728332 /nfs/dbraw/zinc/72/83/32/1130728332.db2.gz ZINXVJXQEFZMQV-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN CCc1cccc(CN2CCC[C@@H](Oc3ccccc3)C2)n1 ZINC001235258676 1130728681 /nfs/dbraw/zinc/72/86/81/1130728681.db2.gz RDAGHYPTVGMJQW-LJQANCHMSA-N 0 1 296.414 3.687 20 0 CHADMN CCOC(=O)C[C@H]1CC[C@H](Nc2nccc(C)c2C)CC1 ZINC001170695044 1130729331 /nfs/dbraw/zinc/72/93/31/1130729331.db2.gz JWKBUXILGMGWTL-SHTZXODSSA-N 0 1 290.407 3.622 20 0 CHADMN CCc1cccc(CN2CCC3(CC(F)(F)C3)CC2)n1 ZINC001235255357 1130729756 /nfs/dbraw/zinc/72/97/56/1130729756.db2.gz RJKWGLVDDAKTME-UHFFFAOYSA-N 0 1 280.362 3.655 20 0 CHADMN CCc1cccc(CN2CC=C(c3ccccc3)CC2)n1 ZINC001235265632 1130731468 /nfs/dbraw/zinc/73/14/68/1130731468.db2.gz YRALDGGERXOUPM-UHFFFAOYSA-N 0 1 278.399 3.933 20 0 CHADMN Cc1ccc(-c2cccc(CN3CCOC[C@H]3C)c2)cc1 ZINC001235309137 1130732252 /nfs/dbraw/zinc/73/22/52/1130732252.db2.gz UNRTUCILGTWJSH-MRXNPFEDSA-N 0 1 281.399 3.883 20 0 CHADMN CCCCC1CCN(Cc2cc(C)cnc2F)CC1 ZINC001235330390 1130734082 /nfs/dbraw/zinc/73/40/82/1130734082.db2.gz XXSGIFRGRJGGSI-UHFFFAOYSA-N 0 1 264.388 3.931 20 0 CHADMN Clc1cnc(CN2CCC[C@@H]2C2CCCCC2)nc1 ZINC001235413122 1130740996 /nfs/dbraw/zinc/74/09/96/1130740996.db2.gz BFRNCCVRSYJAIJ-CQSZACIVSA-N 0 1 279.815 3.675 20 0 CHADMN Cc1cncc(Br)c1CN(C)C[C@H]1CC1(C)C ZINC001235642543 1130760030 /nfs/dbraw/zinc/76/00/30/1130760030.db2.gz OCODOBXASYAXTE-LLVKDONJSA-N 0 1 297.240 3.630 20 0 CHADMN Cc1ccc(Br)c(CN2CC[C@@H](C)C2)c1F ZINC001235743184 1130775118 /nfs/dbraw/zinc/77/51/18/1130775118.db2.gz RPCCCFJMDXRQDG-SECBINFHSA-N 0 1 286.188 3.738 20 0 CHADMN COc1cc(C[N@H+]2CCC3(CCCC3)C2)cc(F)c1F ZINC001235439560 1130744578 /nfs/dbraw/zinc/74/45/78/1130744578.db2.gz BIOXIPHOTXBZGE-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN COc1cc(CN2CCC3(CCCC3)C2)cc(F)c1F ZINC001235439560 1130744582 /nfs/dbraw/zinc/74/45/82/1130744582.db2.gz BIOXIPHOTXBZGE-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN COc1cc(CN2CCCC3(CCC3)C2)cc(F)c1F ZINC001235443194 1130746308 /nfs/dbraw/zinc/74/63/08/1130746308.db2.gz XBXZTLLMJWRIGU-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN Fc1cncc(CN2CCC[C@@H]3CCC[C@@H]32)c1Cl ZINC001235493326 1130749613 /nfs/dbraw/zinc/74/96/13/1130749613.db2.gz AIOLMWQMMAWFAK-GWCFXTLKSA-N 0 1 268.763 3.639 20 0 CHADMN Clc1cc2c(CN3CCCCC34CC4)c[nH]c2cn1 ZINC001235510665 1130750599 /nfs/dbraw/zinc/75/05/99/1130750599.db2.gz AFCJWOUYEZAVPT-UHFFFAOYSA-N 0 1 275.783 3.735 20 0 CHADMN C[C@@H]1CCN(Cc2ccccc2-c2ccncc2)CCC1=O ZINC001235612066 1130756799 /nfs/dbraw/zinc/75/67/99/1130756799.db2.gz KWZAEHLMAVWWFD-OAHLLOKOSA-N 0 1 294.398 3.550 20 0 CHADMN C[C@H]1CCN(Cc2ccnc(N(C)C)c2)[C@H](c2ccco2)C1 ZINC000782174098 1130758724 /nfs/dbraw/zinc/75/87/24/1130758724.db2.gz CUCAWBBHMZTZNN-HOCLYGCPSA-N 0 1 299.418 3.714 20 0 CHADMN CC(C)[C@@H]1CN(Cc2ccccc2-c2ccncc2)CCO1 ZINC001235620430 1130758788 /nfs/dbraw/zinc/75/87/88/1130758788.db2.gz JCMLDWPXDJYXKM-IBGZPJMESA-N 0 1 296.414 3.605 20 0 CHADMN Cc1cncc(Br)c1CN1CCC[C@H](C)[C@H]1C ZINC001235647647 1130762536 /nfs/dbraw/zinc/76/25/36/1130762536.db2.gz RJKAFCHNIREXFE-CMPLNLGQSA-N 0 1 297.240 3.773 20 0 CHADMN COc1cc(C)c(C)cc1-c1cccc2cncn21 ZINC001245023334 1130766606 /nfs/dbraw/zinc/76/66/06/1130766606.db2.gz MWBOJSZDOUYFTK-UHFFFAOYSA-N 0 1 252.317 3.627 20 0 CHADMN CCc1ccccc1COC(=O)c1c(F)cc(O)cc1F ZINC000782272156 1130768110 /nfs/dbraw/zinc/76/81/10/1130768110.db2.gz CFFSRUPBPZLQTD-UHFFFAOYSA-N 0 1 292.281 3.590 20 0 CHADMN CCC[C@H]1CCCCN1Cc1nc2cc(F)ccc2[nH]1 ZINC001235698774 1130770274 /nfs/dbraw/zinc/77/02/74/1130770274.db2.gz YBPBVOUFSIOTFG-ZDUSSCGKSA-N 0 1 275.371 3.857 20 0 CHADMN Oc1ccc(Cl)cc1-c1cnc(-c2ccco2)cn1 ZINC001245048489 1130772536 /nfs/dbraw/zinc/77/25/36/1130772536.db2.gz BUYHUYYDYMDCKP-UHFFFAOYSA-N 0 1 272.691 3.763 20 0 CHADMN CCOC(=O)c1cc(C)cnc1-c1cc(Cl)ccc1O ZINC001245049597 1130773380 /nfs/dbraw/zinc/77/33/80/1130773380.db2.gz RLTHXKCOOKWLHJ-UHFFFAOYSA-N 0 1 291.734 3.593 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H](C)C2)c1Br ZINC001235759963 1130777146 /nfs/dbraw/zinc/77/71/46/1130777146.db2.gz NVXNAGZRMKHOHL-VIFPVBQESA-N 0 1 286.188 3.738 20 0 CHADMN OCCCC[N@H+]1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC001235884722 1130793189 /nfs/dbraw/zinc/79/31/89/1130793189.db2.gz MLHXDMJMZCTZAQ-LLVKDONJSA-N 0 1 288.218 3.555 20 0 CHADMN CC[C@H](N[C@H](C)c1nccnc1C)c1ccc(F)cc1 ZINC000783228612 1130804449 /nfs/dbraw/zinc/80/44/49/1130804449.db2.gz AQIRMVIWLXISEJ-DOMZBBRYSA-N 0 1 273.355 3.726 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2nccnc2C)cc(C)c1F ZINC000783243957 1130806996 /nfs/dbraw/zinc/80/69/96/1130806996.db2.gz QBDWLZCZYMABTL-GXTWGEPZSA-N 0 1 287.382 3.953 20 0 CHADMN Cc1cc2cnc(-c3c(F)cc(F)c(O)c3F)nc2s1 ZINC001235989888 1130824672 /nfs/dbraw/zinc/82/46/72/1130824672.db2.gz LLIDHWQASQXSEB-UHFFFAOYSA-N 0 1 296.273 3.790 20 0 CHADMN CCCCc1cc(-c2c(F)cc(F)c(O)c2F)ncn1 ZINC001235992266 1130824951 /nfs/dbraw/zinc/82/49/51/1130824951.db2.gz FXXFSWAUFSVPPE-UHFFFAOYSA-N 0 1 282.265 3.609 20 0 CHADMN Oc1c(F)cc(F)c(-c2cc(C3CCC3)ncn2)c1F ZINC001235994508 1130825665 /nfs/dbraw/zinc/82/56/65/1130825665.db2.gz SBXLHVRLTCKMNS-UHFFFAOYSA-N 0 1 280.249 3.534 20 0 CHADMN CCc1c(F)cncc1-c1c(F)cc(F)c(O)c1F ZINC001235998030 1130826729 /nfs/dbraw/zinc/82/67/29/1130826729.db2.gz KEOUZEJCJLVQOR-UHFFFAOYSA-N 0 1 271.213 3.573 20 0 CHADMN COc1cc(F)c(-c2c(F)cc(F)c(O)c2F)c(F)c1 ZINC001235998510 1130827016 /nfs/dbraw/zinc/82/70/16/1130827016.db2.gz OIRDFJRUDRPQNL-UHFFFAOYSA-N 0 1 290.187 3.763 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc(-c3ncc[nH]3)cc2)c1F ZINC001235997921 1130827703 /nfs/dbraw/zinc/82/77/03/1130827703.db2.gz UKDPIFYACMQSOZ-UHFFFAOYSA-N 0 1 290.244 3.867 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1c(F)cc(F)c(O)c1F ZINC001235996612 1130827726 /nfs/dbraw/zinc/82/77/26/1130827726.db2.gz WQRCFAKYWZXBPX-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN CC(C)Oc1ncccc1-c1c(F)cc(F)c(O)c1F ZINC001235997701 1130828135 /nfs/dbraw/zinc/82/81/35/1130828135.db2.gz RSNVXHQOGGAPME-UHFFFAOYSA-N 0 1 283.249 3.659 20 0 CHADMN COc1c(F)ccc(F)c1-c1c(F)cc(F)c(O)c1F ZINC001236002728 1130829882 /nfs/dbraw/zinc/82/98/82/1130829882.db2.gz TTZMSZGPZDYUPO-UHFFFAOYSA-N 0 1 290.187 3.763 20 0 CHADMN COc1c(F)c(C)ccc1-c1c(F)cc(F)c(O)c1F ZINC001236000417 1130830111 /nfs/dbraw/zinc/83/01/11/1130830111.db2.gz RKPPIEBKMQUREZ-UHFFFAOYSA-N 0 1 286.224 3.933 20 0 CHADMN CCCOc1ccc2cc(-c3cnc(CN)nc3)ccc2c1 ZINC001236035806 1130834304 /nfs/dbraw/zinc/83/43/04/1130834304.db2.gz WCPUATXZXJQYJT-UHFFFAOYSA-N 0 1 293.370 3.544 20 0 CHADMN Cc1nc2c[nH]cc(-c3ccc(-c4ccncc4)cc3)c-2n1 ZINC001236040883 1130835589 /nfs/dbraw/zinc/83/55/89/1130835589.db2.gz DVMQOCJLTIBGCE-UHFFFAOYSA-N 0 1 286.338 3.995 20 0 CHADMN Cc1nc2c(cncc2-c2ccc(-c3ccncc3)cc2)[nH]1 ZINC001236040883 1130835594 /nfs/dbraw/zinc/83/55/94/1130835594.db2.gz DVMQOCJLTIBGCE-UHFFFAOYSA-N 0 1 286.338 3.995 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(F)nc2C)c1C ZINC000814169019 1130837741 /nfs/dbraw/zinc/83/77/41/1130837741.db2.gz BFYKWIBZOTYPSC-UHFFFAOYSA-N 0 1 272.367 3.778 20 0 CHADMN Cc1ccc2[nH]c(CN3CCc4cc(N)ccc4C3)cc2c1 ZINC001236105417 1130864295 /nfs/dbraw/zinc/86/42/95/1130864295.db2.gz MTXBDKUMBHRWOY-UHFFFAOYSA-N 0 1 291.398 3.617 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1cccnc1N1CCCC1 ZINC001236126016 1130871389 /nfs/dbraw/zinc/87/13/89/1130871389.db2.gz VLVGUGZKUGAWAB-UHFFFAOYSA-N 0 1 278.359 3.534 20 0 CHADMN CC(C)(C)c1nnc(COC(=O)CC2(C)CCCCC2)[nH]1 ZINC000814461919 1130876522 /nfs/dbraw/zinc/87/65/22/1130876522.db2.gz HMNLMSHJMSYBDN-UHFFFAOYSA-N 0 1 293.411 3.506 20 0 CHADMN CC(C)(C)c1nc(COC(=O)CC2(C)CCCCC2)n[nH]1 ZINC000814461919 1130876533 /nfs/dbraw/zinc/87/65/33/1130876533.db2.gz HMNLMSHJMSYBDN-UHFFFAOYSA-N 0 1 293.411 3.506 20 0 CHADMN O=C([O-])c1c(Cl)ccc(-c2c[nH+]cc3cc[nH]c32)c1F ZINC001236158298 1130877128 /nfs/dbraw/zinc/87/71/28/1130877128.db2.gz MGIHKIYFTNGDOJ-UHFFFAOYSA-N 0 1 290.681 3.721 20 0 CHADMN COc1cc(-c2nccc3[nH]ccc32)cc(C)c1F ZINC001236177610 1130877665 /nfs/dbraw/zinc/87/76/65/1130877665.db2.gz HZLUCMGBRWLWKV-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN Cc1nc2ccc(-c3cccc(Cl)c3N)cc2[nH]1 ZINC001245180186 1130880674 /nfs/dbraw/zinc/88/06/74/1130880674.db2.gz WBQTVQDKUYECCA-UHFFFAOYSA-N 0 1 257.724 3.774 20 0 CHADMN CC(C)[C@H](F)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000784378049 1130902238 /nfs/dbraw/zinc/90/22/38/1130902238.db2.gz IWLHQDIGVWKOHY-AWEZNQCLSA-N 0 1 289.354 3.763 20 0 CHADMN CC(C)C(=O)Nc1ccc(-c2cccc3cncn32)cc1 ZINC001236264140 1130909142 /nfs/dbraw/zinc/90/91/42/1130909142.db2.gz CMHHNBKUUWHRKE-UHFFFAOYSA-N 0 1 279.343 3.596 20 0 CHADMN Cc1nc2c[nH]cc(-c3ccc(NC(=O)C(C)C)cc3)c-2n1 ZINC001236270152 1130909896 /nfs/dbraw/zinc/90/98/96/1130909896.db2.gz YVNYELXOXGPQHU-UHFFFAOYSA-N 0 1 294.358 3.528 20 0 CHADMN Cc1nc2c(cncc2-c2ccc(NC(=O)C(C)C)cc2)[nH]1 ZINC001236270152 1130909902 /nfs/dbraw/zinc/90/99/02/1130909902.db2.gz YVNYELXOXGPQHU-UHFFFAOYSA-N 0 1 294.358 3.528 20 0 CHADMN Nc1ccc(-c2ccc3nc(-c4ccccc4)[nH]c3c2)cn1 ZINC001236317252 1130912992 /nfs/dbraw/zinc/91/29/92/1130912992.db2.gz RJVWTTGXFAECBJ-UHFFFAOYSA-N 0 1 286.338 3.874 20 0 CHADMN Nc1cccc2c1CCN(Cc1ccc(F)c(C3CC3)c1)C2 ZINC001236366339 1130919955 /nfs/dbraw/zinc/91/99/55/1130919955.db2.gz AARLPDUSWXEWOF-UHFFFAOYSA-N 0 1 296.389 3.844 20 0 CHADMN Cc1ccc(F)c(-c2nc(C3CC3)nc(C)c2F)c1O ZINC001236393030 1130926520 /nfs/dbraw/zinc/92/65/20/1130926520.db2.gz SMUWZSRDBUAQBI-UHFFFAOYSA-N 0 1 276.286 3.622 20 0 CHADMN CC[C@H](C)n1ncc(N[C@@H]2CCCc3[nH]ncc32)c1C1CC1 ZINC000796898830 1130944219 /nfs/dbraw/zinc/94/42/19/1130944219.db2.gz PATLZUQOUYCEOQ-SMDDNHRTSA-N 0 1 299.422 3.944 20 0 CHADMN CCCOc1ccc(N[C@@H]2CCCc3[nH]ncc32)c(C)c1 ZINC000796910085 1130945241 /nfs/dbraw/zinc/94/52/41/1130945241.db2.gz ANPUVKMPWJSCQW-MRXNPFEDSA-N 0 1 285.391 3.996 20 0 CHADMN Cc1cc(N[C@@H]2CCCc3[nH]ncc32)ccc1OC(C)C ZINC000796925484 1130946492 /nfs/dbraw/zinc/94/64/92/1130946492.db2.gz WUINKWFTRWPHBM-OAHLLOKOSA-N 0 1 285.391 3.995 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ccnc(Br)c1 ZINC000815011821 1130949761 /nfs/dbraw/zinc/94/97/61/1130949761.db2.gz BEVKPEGABPIGNY-GFCCVEGCSA-N 0 1 283.213 3.609 20 0 CHADMN COc1cc(C)cc(N[C@@H]2CCCc3[nH]ncc32)c1C ZINC000796972247 1130950011 /nfs/dbraw/zinc/95/00/11/1130950011.db2.gz ISNWBNXSUXXDTR-CYBMUJFWSA-N 0 1 271.364 3.525 20 0 CHADMN CCC[C@H]1CCCCN1Cc1ccnc(Br)c1 ZINC000815093037 1130955102 /nfs/dbraw/zinc/95/51/02/1130955102.db2.gz ZUJYEKREQCEVSO-ZDUSSCGKSA-N 0 1 297.240 3.999 20 0 CHADMN CC(C)Nc1ccc(-c2cccn3cncc23)cc1 ZINC001236489675 1130955261 /nfs/dbraw/zinc/95/52/61/1130955261.db2.gz XERNCWLPOLQNAK-UHFFFAOYSA-N 0 1 251.333 3.822 20 0 CHADMN CC[C@@H](C(=O)OCc1cccc(SC)c1)N(CC)CC ZINC000797045013 1130956102 /nfs/dbraw/zinc/95/61/02/1130956102.db2.gz ZOBBSXWWLGPCGK-HNNXBMFYSA-N 0 1 295.448 3.572 20 0 CHADMN CCOc1ncc(Cl)cc1-c1ccc2nc[nH]c2c1C ZINC001236497360 1130958229 /nfs/dbraw/zinc/95/82/29/1130958229.db2.gz GJBWKHWRQJTSAG-UHFFFAOYSA-N 0 1 287.750 3.985 20 0 CHADMN CCOc1ncc(Cl)cc1-c1cc2nc[nH]c2cc1F ZINC001236498410 1130958376 /nfs/dbraw/zinc/95/83/76/1130958376.db2.gz NQLBSNLOYRBQKU-UHFFFAOYSA-N 0 1 291.713 3.816 20 0 CHADMN CCCC[C@H](C)N(CCCC)Cc1nonc1C ZINC000815199670 1130969544 /nfs/dbraw/zinc/96/95/44/1130969544.db2.gz DCLBKGIZYZICSM-LBPRGKRZSA-N 0 1 253.390 3.559 20 0 CHADMN Fc1cc(CN2CCCC(F)(F)CC2)c2c(c1)CCCO2 ZINC001236617738 1130984565 /nfs/dbraw/zinc/98/45/65/1130984565.db2.gz RAZAZDSABCEASO-UHFFFAOYSA-N 0 1 299.336 3.772 20 0 CHADMN Fc1cc(CN2CCC[C@@H]3CCC[C@@H]32)c2c(c1)CCCO2 ZINC001236631094 1130985881 /nfs/dbraw/zinc/98/58/81/1130985881.db2.gz YCQISTQJGTZCFI-GUYCJALGSA-N 0 1 289.394 3.915 20 0 CHADMN CCCCCN(Cc1nccn1C(C)C)C(C)C ZINC000337344998 1130989164 /nfs/dbraw/zinc/98/91/64/1130989164.db2.gz KRZXUVYZFJEBCO-UHFFFAOYSA-N 0 1 251.418 3.865 20 0 CHADMN COc1ccc2sc(CN3CCC[C@H](F)C3)cc2c1 ZINC001236660472 1130990103 /nfs/dbraw/zinc/99/01/03/1130990103.db2.gz DVCARNJEOIUCGD-LBPRGKRZSA-N 0 1 279.380 3.844 20 0 CHADMN COc1ccc2sc(CN3C[C@@H](F)C[C@H]3C)cc2c1 ZINC001236655726 1130990297 /nfs/dbraw/zinc/99/02/97/1130990297.db2.gz GVGYXDRMMIJXJF-PWSUYJOCSA-N 0 1 279.380 3.842 20 0 CHADMN COc1cccc(Br)c1CN1CCC(C)(C)C1 ZINC001236674626 1130991027 /nfs/dbraw/zinc/99/10/27/1130991027.db2.gz WHGFTMRFVXVSSP-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN COc1cc2ccccc2cc1CN1C[C@H](F)C[C@H]1C ZINC001236676620 1130991370 /nfs/dbraw/zinc/99/13/70/1130991370.db2.gz CADYYYCJLDOVPJ-MLGOLLRUSA-N 0 1 273.351 3.781 20 0 CHADMN [O-]c1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)ccc1F ZINC001236705345 1130995369 /nfs/dbraw/zinc/99/53/69/1130995369.db2.gz LDNKWHPYIHLDDR-DZGCQCFKSA-N 0 1 263.356 3.686 20 0 CHADMN [O-]c1cc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)ccc1F ZINC001236705345 1130995371 /nfs/dbraw/zinc/99/53/71/1130995371.db2.gz LDNKWHPYIHLDDR-DZGCQCFKSA-N 0 1 263.356 3.686 20 0 CHADMN [O-]c1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)ccc1F ZINC001236704171 1130995778 /nfs/dbraw/zinc/99/57/78/1130995778.db2.gz SSJUOYGCHBZTMQ-HNNXBMFYSA-N 0 1 271.335 3.521 20 0 CHADMN [O-]c1cc(C[N@H+]2CC[C@H](c3ccccc3)C2)ccc1F ZINC001236704171 1130995784 /nfs/dbraw/zinc/99/57/84/1130995784.db2.gz SSJUOYGCHBZTMQ-HNNXBMFYSA-N 0 1 271.335 3.521 20 0 CHADMN [O-]c1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)ccc1F ZINC001236705346 1130995881 /nfs/dbraw/zinc/99/58/81/1130995881.db2.gz LDNKWHPYIHLDDR-HIFRSBDPSA-N 0 1 263.356 3.686 20 0 CHADMN [O-]c1cc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)ccc1F ZINC001236705346 1130995885 /nfs/dbraw/zinc/99/58/85/1130995885.db2.gz LDNKWHPYIHLDDR-HIFRSBDPSA-N 0 1 263.356 3.686 20 0 CHADMN [O-]c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)ccc1F ZINC001236703422 1130995962 /nfs/dbraw/zinc/99/59/62/1130995962.db2.gz NQLNYWXMPDTTRX-UHFFFAOYSA-N 0 1 299.389 3.986 20 0 CHADMN Cc1cccc(CC[N@@H+](C)Cc2ccc(F)c([O-])c2)c1 ZINC001236706483 1130996098 /nfs/dbraw/zinc/99/60/98/1130996098.db2.gz YBPPRZMFURLHIN-UHFFFAOYSA-N 0 1 273.351 3.514 20 0 CHADMN Cc1cccc(CC[N@H+](C)Cc2ccc(F)c([O-])c2)c1 ZINC001236706483 1130996102 /nfs/dbraw/zinc/99/61/02/1130996102.db2.gz YBPPRZMFURLHIN-UHFFFAOYSA-N 0 1 273.351 3.514 20 0 CHADMN Cc1cc(CN2CCS[C@@H]3CCCC[C@@H]32)cc(Cl)n1 ZINC000797592362 1130996189 /nfs/dbraw/zinc/99/61/89/1130996189.db2.gz VUZIFGKDWYDVLO-UONOGXRCSA-N 0 1 296.867 3.903 20 0 CHADMN [O-]c1cc(C[NH+]2CCC3(CCCC3)CC2)ccc1F ZINC001236698808 1130996885 /nfs/dbraw/zinc/99/68/85/1130996885.db2.gz LEBVJOIZMRVEAA-UHFFFAOYSA-N 0 1 263.356 3.688 20 0 CHADMN Cc1c(F)ccc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c1Cl ZINC001236712165 1130997523 /nfs/dbraw/zinc/99/75/23/1130997523.db2.gz QVRUCVISFCGRLJ-GMXVVIOVSA-N 0 1 271.738 3.720 20 0 CHADMN Oc1cc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)ccc1F ZINC001236709248 1130998321 /nfs/dbraw/zinc/99/83/21/1130998321.db2.gz WFICLDKACBLKBX-OKILXGFUSA-N 0 1 283.346 3.618 20 0 CHADMN [O-]c1cc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)ccc1F ZINC001236709248 1130998325 /nfs/dbraw/zinc/99/83/25/1130998325.db2.gz WFICLDKACBLKBX-OKILXGFUSA-N 0 1 283.346 3.618 20 0 CHADMN [O-]c1cc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)ccc1F ZINC001236709248 1130998327 /nfs/dbraw/zinc/99/83/27/1130998327.db2.gz WFICLDKACBLKBX-OKILXGFUSA-N 0 1 283.346 3.618 20 0 CHADMN O=C1CCN(Cc2cccc3occc32)[C@@H]2CCCC[C@H]12 ZINC001236733575 1131001819 /nfs/dbraw/zinc/00/18/19/1131001819.db2.gz ARWAHFYINHQARR-JKSUJKDBSA-N 0 1 283.371 3.766 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1cccc3occc31)C2 ZINC001236734025 1131001840 /nfs/dbraw/zinc/00/18/40/1131001840.db2.gz FAVPUJGKPUAIDR-UHFFFAOYSA-N 0 1 293.366 4.000 20 0 CHADMN CN(Cc1cccc2occc21)Cc1cccc2c1OCO2 ZINC001236745404 1131004415 /nfs/dbraw/zinc/00/44/15/1131004415.db2.gz JNBQIZDHXZTSBX-UHFFFAOYSA-N 0 1 295.338 3.794 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2CCC[C@@H](C)[C@@H]2C)c1 ZINC001236771811 1131004503 /nfs/dbraw/zinc/00/45/03/1131004503.db2.gz LPMQRDBVBMTYJM-NEPJUHHUSA-N 0 1 295.810 3.747 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2CC[C@@H](C)C[C@@H]2C)c1 ZINC001236776118 1131005256 /nfs/dbraw/zinc/00/52/56/1131005256.db2.gz QDRNFEXFMVYOKH-NEPJUHHUSA-N 0 1 295.810 3.747 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)N[C@H](CCO)c1ccco1 ZINC000815617398 1131010104 /nfs/dbraw/zinc/01/01/04/1131010104.db2.gz MMTUIHPFPQWAEP-SWLSCSKDSA-N 0 1 277.339 3.501 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1cnc2n1CCCC2 ZINC000815623707 1131010866 /nfs/dbraw/zinc/01/08/66/1131010866.db2.gz FHYDLNCWPCGPMW-ZDUSSCGKSA-N 0 1 287.382 3.518 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1cccc(C2CC2)c1)C(F)(F)F ZINC000815605297 1131011881 /nfs/dbraw/zinc/01/18/81/1131011881.db2.gz QGFVKKYYYGTZHZ-HZMBPMFUSA-N 0 1 287.325 3.792 20 0 CHADMN COc1cc(CN(C)CCc2cccs2)c(F)cc1F ZINC001236836081 1131019694 /nfs/dbraw/zinc/01/96/94/1131019694.db2.gz WQZGJVKEWIPZFI-UHFFFAOYSA-N 0 1 297.370 3.709 20 0 CHADMN CCOc1cncc(CN(C)C/C=C/c2ccccc2)c1 ZINC001236845834 1131022204 /nfs/dbraw/zinc/02/22/04/1131022204.db2.gz NMXIBOALSYRSSD-JXMROGBWSA-N 0 1 282.387 3.626 20 0 CHADMN CCOc1cncc(CN(C)Cc2ccc(C)c(C)c2)c1 ZINC001236841483 1131022308 /nfs/dbraw/zinc/02/23/08/1131022308.db2.gz ORXSRRMRRVBPEG-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN Cc1cccc(CN2CC[C@@H]3CCCO[C@@H]3C2)c1Cl ZINC001236855927 1131023471 /nfs/dbraw/zinc/02/34/71/1131023471.db2.gz JUOGJLYRQWOAAY-DZGCQCFKSA-N 0 1 279.811 3.649 20 0 CHADMN C[C@H]1CCN(Cc2cc3sccc3nc2Cl)C1 ZINC001236865873 1131024556 /nfs/dbraw/zinc/02/45/56/1131024556.db2.gz ADQMKKHYBAIXQD-VIFPVBQESA-N 0 1 266.797 3.792 20 0 CHADMN CCC=C(C)C(=O)Nc1ccccc1Nc1ccncc1 ZINC000798253830 1131032463 /nfs/dbraw/zinc/03/24/63/1131032463.db2.gz OGIHDJFRHIXKHC-MLPAPPSSSA-N 0 1 281.359 3.542 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CCN[C@H](C(F)(F)F)C1 ZINC001236981050 1131033595 /nfs/dbraw/zinc/03/35/95/1131033595.db2.gz KSRRGADWNVNGII-KBPBESRZSA-N 0 1 292.389 3.595 20 0 CHADMN FC[C@H]1CCCN1Cc1ccc(-c2ccccc2F)nc1 ZINC001236992915 1131033892 /nfs/dbraw/zinc/03/38/92/1131033892.db2.gz GQTDBBNQIZMGHN-CQSZACIVSA-N 0 1 288.341 3.822 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(O)cc3ccccc32)cn1 ZINC001237077179 1131044660 /nfs/dbraw/zinc/04/46/60/1131044660.db2.gz QLRXCYRLBZOREH-UHFFFAOYSA-N 0 1 292.382 3.881 20 0 CHADMN Cc1ncccc1CN(C)Cc1cc(O)cc2ccccc21 ZINC001237077590 1131048109 /nfs/dbraw/zinc/04/81/09/1131048109.db2.gz VSIIUUYAALCUPD-UHFFFAOYSA-N 0 1 292.382 3.881 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@@H]1CCCc3cccnc31)CCC2 ZINC000798932323 1131061393 /nfs/dbraw/zinc/06/13/93/1131061393.db2.gz KPNHPKZOWYVITB-HIFRSBDPSA-N 0 1 299.443 3.891 20 0 CHADMN CSC1CCN(Cc2ccc(F)c(F)c2C)CC1 ZINC001237163988 1131061576 /nfs/dbraw/zinc/06/15/76/1131061576.db2.gz UZQZGGXSZLGPKM-UHFFFAOYSA-N 0 1 271.376 3.601 20 0 CHADMN Cc1cccc(F)c1CN[C@@H](c1cncc(F)c1)C1CC1 ZINC000798928735 1131061733 /nfs/dbraw/zinc/06/17/33/1131061733.db2.gz DCIGFYXIQVGRMT-QGZVFWFLSA-N 0 1 288.341 3.909 20 0 CHADMN CCC(CC)[N@@H+](CC)Cc1sc(=O)[n-]c1Cl ZINC001237163524 1131063180 /nfs/dbraw/zinc/06/31/80/1131063180.db2.gz CGVMDADCIBTTPA-UHFFFAOYSA-N 0 1 262.806 3.513 20 0 CHADMN O=c1[n-]c(Cl)c(C[N@@H+]2CCCC3(CCCC3)C2)s1 ZINC001237157356 1131063072 /nfs/dbraw/zinc/06/30/72/1131063072.db2.gz FLOJJCKPBMZFFC-UHFFFAOYSA-N 0 1 286.828 3.658 20 0 CHADMN O=c1[n-]c(Cl)c(C[N@H+]2CCCC3(CCCC3)C2)s1 ZINC001237157356 1131063078 /nfs/dbraw/zinc/06/30/78/1131063078.db2.gz FLOJJCKPBMZFFC-UHFFFAOYSA-N 0 1 286.828 3.658 20 0 CHADMN O=c1[nH]c(Cl)c(CN2CCCC3(CCCC3)C2)s1 ZINC001237157356 1131063085 /nfs/dbraw/zinc/06/30/85/1131063085.db2.gz FLOJJCKPBMZFFC-UHFFFAOYSA-N 0 1 286.828 3.658 20 0 CHADMN CCC(CC)[N@H+](CC)Cc1sc(=O)[n-]c1Cl ZINC001237163524 1131063174 /nfs/dbraw/zinc/06/31/74/1131063174.db2.gz CGVMDADCIBTTPA-UHFFFAOYSA-N 0 1 262.806 3.513 20 0 CHADMN Cc1nn(C(C)C)cc1CN1Cc2ccccc2[C@@H](C)C1 ZINC000798942178 1131063169 /nfs/dbraw/zinc/06/31/69/1131063169.db2.gz FRFVHHNGRFEBFS-AWEZNQCLSA-N 0 1 283.419 3.892 20 0 CHADMN C[C@H](c1ccccc1)N(Cc1cnc(Cl)cn1)C1CC1 ZINC000799129939 1131073564 /nfs/dbraw/zinc/07/35/64/1131073564.db2.gz ZQXWUHKNHXLOBC-GFCCVEGCSA-N 0 1 287.794 3.856 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CC[C@H](c2ccccn2)C1 ZINC000799195133 1131075338 /nfs/dbraw/zinc/07/53/38/1131075338.db2.gz WGGFKFOVDDLEIX-OLZOCXBDSA-N 0 1 288.341 3.910 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CC[C@@H](c2ccccn2)C1 ZINC000799193678 1131076951 /nfs/dbraw/zinc/07/69/51/1131076951.db2.gz QERNRFLCXYTFLG-CHWSQXEVSA-N 0 1 288.341 3.910 20 0 CHADMN CC(C)C1CCN(Cc2ccncc2C(F)(F)F)CC1 ZINC001237295459 1131078482 /nfs/dbraw/zinc/07/84/82/1131078482.db2.gz ROCXWLQDNWBVEE-UHFFFAOYSA-N 0 1 286.341 3.968 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1ccncc1C(F)(F)F ZINC001237292682 1131079034 /nfs/dbraw/zinc/07/90/34/1131079034.db2.gz QJUWWORXYMOANE-WDEREUQCSA-N 0 1 272.314 3.721 20 0 CHADMN CCN(Cc1cc(OC)ccc1-c1ccccc1)C1COC1 ZINC001237306276 1131080173 /nfs/dbraw/zinc/08/01/73/1131080173.db2.gz FKWFUCAWJMKOAI-UHFFFAOYSA-N 0 1 297.398 3.583 20 0 CHADMN FC(F)(F)c1cnccc1CN1CCCC2(CCC2)C1 ZINC001237302313 1131080936 /nfs/dbraw/zinc/08/09/36/1131080936.db2.gz LSRHTUNYGJSWOX-UHFFFAOYSA-N 0 1 284.325 3.867 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN1CC(c2cccnc2)C1 ZINC001237349988 1131088019 /nfs/dbraw/zinc/08/80/19/1131088019.db2.gz FFHXYHDWZMUJCX-UHFFFAOYSA-N 0 1 286.806 3.951 20 0 CHADMN C[C@H]1CN(Cc2cnccc2Br)CCC[C@@H]1C ZINC001237383761 1131092115 /nfs/dbraw/zinc/09/21/15/1131092115.db2.gz FCXMXZITHJPEKA-RYUDHWBXSA-N 0 1 297.240 3.712 20 0 CHADMN CCc1c(F)cncc1-c1cc(O)c(F)c(F)c1F ZINC001245637160 1131095721 /nfs/dbraw/zinc/09/57/21/1131095721.db2.gz LRIWJXFEOCFXMN-UHFFFAOYSA-N 0 1 271.213 3.573 20 0 CHADMN Cc1c[nH]c2ncc(-c3cc(O)c(F)c(F)c3F)cc12 ZINC001245636852 1131095992 /nfs/dbraw/zinc/09/59/92/1131095992.db2.gz BDPWCXOXIBYJOI-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN Fc1ccc(CN2CCCC[C@H](F)C2)c2ncccc12 ZINC001237424893 1131097768 /nfs/dbraw/zinc/09/77/68/1131097768.db2.gz JRUGXLZMIVEBEA-ZDUSSCGKSA-N 0 1 276.330 3.698 20 0 CHADMN COCc1ccccc1-c1cc(O)c(F)c(F)c1F ZINC001245639012 1131098156 /nfs/dbraw/zinc/09/81/56/1131098156.db2.gz MYKGYDLXUZYLJS-UHFFFAOYSA-N 0 1 268.234 3.623 20 0 CHADMN FC(F)[C@H]1CCCN(Cc2c(Cl)[nH]c3cnccc32)C1 ZINC001237460211 1131101016 /nfs/dbraw/zinc/10/10/16/1131101016.db2.gz DEUNTDCBTOIMCZ-VIFPVBQESA-N 0 1 299.752 3.693 20 0 CHADMN Clc1[nH]c2cnccc2c1CN1CC(c2ccccc2)C1 ZINC001237457327 1131101155 /nfs/dbraw/zinc/10/11/55/1131101155.db2.gz ATKZCBSUQSWJCD-UHFFFAOYSA-N 0 1 297.789 3.816 20 0 CHADMN CSCCN(C)Cc1cc(Cl)nc(C(F)(F)F)c1 ZINC001237495504 1131106497 /nfs/dbraw/zinc/10/64/97/1131106497.db2.gz ZIPWORIPYSGGRS-UHFFFAOYSA-N 0 1 298.761 3.549 20 0 CHADMN Cc1cc(CN2C[C@H]3CC[C@@H]2C3)c(Br)cc1F ZINC001237511223 1131107721 /nfs/dbraw/zinc/10/77/21/1131107721.db2.gz RPMINJFKBXDOSZ-CMPLNLGQSA-N 0 1 298.199 3.881 20 0 CHADMN CC[C@@H]1CCCN1Cc1cnc(C)c(Br)c1 ZINC001237557379 1131114175 /nfs/dbraw/zinc/11/41/75/1131114175.db2.gz OTSSXDRDOFEYFV-GFCCVEGCSA-N 0 1 283.213 3.527 20 0 CHADMN c1ccc(-c2cccc(CN3CC4(CCC4)C3)n2)cc1 ZINC001237543385 1131112882 /nfs/dbraw/zinc/11/28/82/1131112882.db2.gz FOAIMXGTWXMHBZ-UHFFFAOYSA-N 0 1 264.372 3.735 20 0 CHADMN Fc1ccc([C@@H]2CCCN2Cc2ccn3nccc3c2)cc1 ZINC001237550440 1131114303 /nfs/dbraw/zinc/11/43/03/1131114303.db2.gz PITSIMHJLRHGJI-SFHVURJKSA-N 0 1 295.361 3.811 20 0 CHADMN COC1(C)CN(Cc2cccc(-c3ccccc3)c2C)C1 ZINC001237581544 1131116438 /nfs/dbraw/zinc/11/64/38/1131116438.db2.gz PNLKECBAAZVWDU-UHFFFAOYSA-N 0 1 281.399 3.883 20 0 CHADMN c1oc(C2CC2)nc1CN1CCC[C@@H](c2ccccc2)C1 ZINC000816619661 1131117599 /nfs/dbraw/zinc/11/75/99/1131117599.db2.gz PLXRFSSNMJPNQS-MRXNPFEDSA-N 0 1 282.387 3.932 20 0 CHADMN COC[C@H]1CCN1Cc1ccc(SC(F)(F)F)cc1 ZINC000816637053 1131118109 /nfs/dbraw/zinc/11/81/09/1131118109.db2.gz PPVPAXUXPZRGIF-LLVKDONJSA-N 0 1 291.338 3.519 20 0 CHADMN CCCOc1c(CN2C[C@H](C)[C@@H]2C)cccc1OCC ZINC000816646206 1131118179 /nfs/dbraw/zinc/11/81/79/1131118179.db2.gz ACXPHBWJQNZXKX-KBPBESRZSA-N 0 1 277.408 3.714 20 0 CHADMN C[C@H]1CN(Cc2cnc(C3CCCC3)s2)[C@H]1C ZINC000816648459 1131118374 /nfs/dbraw/zinc/11/83/74/1131118374.db2.gz KZFXHSBPESSNAS-QWRGUYRKSA-N 0 1 250.411 3.641 20 0 CHADMN COc1ccc(CN2C[C@@H](C)[C@H]2C)cc1OCC(C)C ZINC000816648372 1131118972 /nfs/dbraw/zinc/11/89/72/1131118972.db2.gz JNOKNXQMUWJURL-ZIAGYGMSSA-N 0 1 277.408 3.570 20 0 CHADMN Cc1cc(Br)cc(CN2C[C@@H](C)[C@@H]2C)c1 ZINC000816648086 1131119631 /nfs/dbraw/zinc/11/96/31/1131119631.db2.gz DLBKGZLTZAQZAL-MNOVXSKESA-N 0 1 268.198 3.598 20 0 CHADMN CCN(Cc1cccs1)Cc1ccnc(OC(F)F)c1 ZINC001237616607 1131119858 /nfs/dbraw/zinc/11/98/58/1131119858.db2.gz CQHTZNMVXPCVGX-UHFFFAOYSA-N 0 1 298.358 3.767 20 0 CHADMN COC(=O)c1ccc(F)c(-c2cc(Cl)c(O)cc2F)c1 ZINC001245670276 1131121830 /nfs/dbraw/zinc/12/18/30/1131121830.db2.gz VEWRWGWOIQFHPH-UHFFFAOYSA-N 0 1 298.672 3.777 20 0 CHADMN Clc1nccc(CNc2cc3c(cn2)CCC3)c1Cl ZINC000816660728 1131122192 /nfs/dbraw/zinc/12/21/92/1131122192.db2.gz NGHHYLVZCWSNRE-UHFFFAOYSA-N 0 1 294.185 3.884 20 0 CHADMN Clc1ccc(O[C@@H]2CCN(Cc3ccoc3)C2)cc1 ZINC000816659409 1131122544 /nfs/dbraw/zinc/12/25/44/1131122544.db2.gz MOHKETNALWMDGE-OAHLLOKOSA-N 0 1 277.751 3.586 20 0 CHADMN CCc1n[nH]cc1CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC001237650421 1131123215 /nfs/dbraw/zinc/12/32/15/1131123215.db2.gz GOSWLMVWQIJATF-INIZCTEOSA-N 0 1 289.810 3.963 20 0 CHADMN Cc1c(F)nccc1-c1cc(Cl)c(O)cc1F ZINC001245671641 1131123612 /nfs/dbraw/zinc/12/36/12/1131123612.db2.gz KHLRKCMFMAAEHE-UHFFFAOYSA-N 0 1 255.651 3.694 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001116080242 1131127938 /nfs/dbraw/zinc/12/79/38/1131127938.db2.gz WQZDMFYQTBTXGY-INIZCTEOSA-N 0 1 296.499 3.926 20 0 CHADMN Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@@]23CCOC3)c1 ZINC001237700912 1131130113 /nfs/dbraw/zinc/13/01/13/1131130113.db2.gz GLLPAIAVYNDTAE-INIZCTEOSA-N 0 1 279.811 3.712 20 0 CHADMN CO[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2Cl)[C@@H](C)C1 ZINC001237706476 1131131298 /nfs/dbraw/zinc/13/12/98/1131131298.db2.gz VPIVCOQPKLKFAU-ZFWWWQNUSA-N 0 1 281.827 3.956 20 0 CHADMN COc1ccc(C)c(C[N@@H+](C)Cc2cccc(C)c2)c1 ZINC001237710942 1131132238 /nfs/dbraw/zinc/13/22/38/1131132238.db2.gz CUABDLRGNKYQLA-UHFFFAOYSA-N 0 1 269.388 3.944 20 0 CHADMN C/C(=C/C(C)(C)C)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000817017869 1131136798 /nfs/dbraw/zinc/13/67/98/1131136798.db2.gz FRKFIWPWGBQJMG-LUAWRHEFSA-N 0 1 271.364 3.802 20 0 CHADMN COc1c(Cl)ccc(F)c1-c1cncc2nc(C)[nH]c21 ZINC001245731875 1131139130 /nfs/dbraw/zinc/13/91/30/1131139130.db2.gz MQWRUHCJFBXZMW-UHFFFAOYSA-N 0 1 291.713 3.734 20 0 CHADMN FC1CCN(Cc2cc(-c3cccc(Cl)c3)no2)CC1 ZINC001237766224 1131139179 /nfs/dbraw/zinc/13/91/79/1131139179.db2.gz LLUMDOLRDPHKCQ-UHFFFAOYSA-N 0 1 294.757 3.929 20 0 CHADMN CCN(Cc1cccs1)Cc1cccc2c1OCC2 ZINC001237753255 1131139514 /nfs/dbraw/zinc/13/95/14/1131139514.db2.gz KWJBCAJWMLGUNX-UHFFFAOYSA-N 0 1 273.401 3.705 20 0 CHADMN CCCCN(CCC)Cc1ccc(OC)nc1Cl ZINC001237804407 1131142460 /nfs/dbraw/zinc/14/24/60/1131142460.db2.gz UOFVRFOJGSPNFU-UHFFFAOYSA-N 0 1 270.804 3.756 20 0 CHADMN Cc1ccc(CC[N@H+](C)Cc2ccc(F)c(C)n2)cc1 ZINC001237819009 1131143696 /nfs/dbraw/zinc/14/36/96/1131143696.db2.gz ZIWPIWFGSMSWRW-UHFFFAOYSA-N 0 1 272.367 3.512 20 0 CHADMN CCCCC1CCN(Cc2ccc(F)c(C)n2)CC1 ZINC001237821183 1131143714 /nfs/dbraw/zinc/14/37/14/1131143714.db2.gz USRGLDPNFWOACO-UHFFFAOYSA-N 0 1 264.388 3.931 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2ccc(F)c(C)n2)cc1C ZINC001237823875 1131144014 /nfs/dbraw/zinc/14/40/14/1131144014.db2.gz KVEFRGXDGQSAEC-UHFFFAOYSA-N 0 1 272.367 3.778 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(F)c(C)n2)cc1C ZINC001237823875 1131144018 /nfs/dbraw/zinc/14/40/18/1131144018.db2.gz KVEFRGXDGQSAEC-UHFFFAOYSA-N 0 1 272.367 3.778 20 0 CHADMN COc1cccc(CN2CCCC[C@@H]2C)c1Br ZINC001237862329 1131145628 /nfs/dbraw/zinc/14/56/28/1131145628.db2.gz JCPVRDQTPOTYHR-NSHDSACASA-N 0 1 298.224 3.832 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1CN1CCCCC12CC2 ZINC001237884385 1131148680 /nfs/dbraw/zinc/14/86/80/1131148680.db2.gz ZSPYWCBHMOMWKU-UHFFFAOYSA-N 0 1 285.391 3.537 20 0 CHADMN CCOC(=O)c1ccccc1CN(C)Cc1ccc(C)cc1 ZINC001237889101 1131148972 /nfs/dbraw/zinc/14/89/72/1131148972.db2.gz YLTHEHOULIJRSE-UHFFFAOYSA-N 0 1 297.398 3.804 20 0 CHADMN CCCCCC[C@@H](C)NC(=O)c1ccc2cncn2c1C ZINC001116487549 1131149805 /nfs/dbraw/zinc/14/98/05/1131149805.db2.gz UBZYSNBRKQKZAX-CYBMUJFWSA-N 0 1 287.407 3.731 20 0 CHADMN CCOc1cc(F)cc(CN(C)Cc2cccc(O)c2)c1 ZINC001237913025 1131152028 /nfs/dbraw/zinc/15/20/28/1131152028.db2.gz KNOWQDWECAQGAM-UHFFFAOYSA-N 0 1 289.350 3.562 20 0 CHADMN CCOc1cc(F)cc(CN2CC3(C2)CCCCC3)c1 ZINC001237922474 1131153180 /nfs/dbraw/zinc/15/31/80/1131153180.db2.gz ZZAUFSCVWAZBPF-UHFFFAOYSA-N 0 1 277.383 3.991 20 0 CHADMN CCCCCN(C)Cc1cnc(C(F)(F)F)s1 ZINC001237945591 1131153303 /nfs/dbraw/zinc/15/33/03/1131153303.db2.gz BISVTODZUNTCQZ-UHFFFAOYSA-N 0 1 266.332 3.784 20 0 CHADMN CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc2cncn2c1C ZINC001116547990 1131154905 /nfs/dbraw/zinc/15/49/05/1131154905.db2.gz PXUNWOXWAGFXOH-RHSMWYFYSA-N 0 1 299.418 3.731 20 0 CHADMN CCCc1[nH]ncc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001135886889 1131155940 /nfs/dbraw/zinc/15/59/40/1131155940.db2.gz UVTHQZDDJLWDJO-UHFFFAOYSA-N 0 1 298.173 3.921 20 0 CHADMN CS[C@@H]1CC[C@H](N(C)Cc2ncc(C(C)C)s2)C1 ZINC001116576155 1131156146 /nfs/dbraw/zinc/15/61/46/1131156146.db2.gz PVGDNLKCTQMNQG-NWDGAFQWSA-N 0 1 284.494 3.982 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1ccsc1C)C2 ZINC001237964789 1131156235 /nfs/dbraw/zinc/15/62/35/1131156235.db2.gz NEUUOBNVWJKWOY-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN C[C@@H]1CCC[N@H+]1Cc1csc(-c2cccc(F)c2)n1 ZINC001237972484 1131157169 /nfs/dbraw/zinc/15/71/69/1131157169.db2.gz KXHUQZTYBDLTPD-LLVKDONJSA-N 0 1 276.380 3.934 20 0 CHADMN C[C@@H]1CCCN1Cc1csc(-c2cccc(F)c2)n1 ZINC001237972484 1131157174 /nfs/dbraw/zinc/15/71/74/1131157174.db2.gz KXHUQZTYBDLTPD-LLVKDONJSA-N 0 1 276.380 3.934 20 0 CHADMN CC(C)[C@H](C(=O)NOCCC1CC1)c1cccc(Cl)c1 ZINC000817403333 1131157546 /nfs/dbraw/zinc/15/75/46/1131157546.db2.gz DRNGVTSBRYHJPB-HNNXBMFYSA-N 0 1 295.810 3.928 20 0 CHADMN CC[N@@H+](Cc1cccnc1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237990468 1131157835 /nfs/dbraw/zinc/15/78/35/1131157835.db2.gz UHLGQRPEHFXNEG-UHFFFAOYSA-N 0 1 294.757 3.602 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)NOCCC1CC1)c1ccccc1 ZINC000817399253 1131158077 /nfs/dbraw/zinc/15/80/77/1131158077.db2.gz IIEWUUDTMVZPBX-CJNGLKHVSA-N 0 1 275.392 3.664 20 0 CHADMN C[C@H]1CCCN1Cc1csc(-c2ccc(O)cc2)n1 ZINC001237978729 1131158659 /nfs/dbraw/zinc/15/86/59/1131158659.db2.gz YWMXQXGTHSBFOC-NSHDSACASA-N 0 1 274.389 3.500 20 0 CHADMN CCOc1cc(CN2CCC[C@@](C)(F)C2)ccc1C ZINC001238066599 1131166560 /nfs/dbraw/zinc/16/65/60/1131166560.db2.gz DCNKICHVOOQXQN-MRXNPFEDSA-N 0 1 265.372 3.718 20 0 CHADMN CCOc1cc(CN2C[C@@H](C)C[C@H]2CF)ccc1C ZINC001238066579 1131166807 /nfs/dbraw/zinc/16/68/07/1131166807.db2.gz CXCNABMXOYIEJE-WFASDCNBSA-N 0 1 265.372 3.574 20 0 CHADMN CCCN(C)Cc1ccc(F)c(Br)c1F ZINC001238081067 1131168345 /nfs/dbraw/zinc/16/83/45/1131168345.db2.gz LTXVHSACYOKOTG-UHFFFAOYSA-N 0 1 278.140 3.569 20 0 CHADMN Cc1cc(CN2CCCO[C@@H](C)C2)cc(C)c1Cl ZINC001238088531 1131169034 /nfs/dbraw/zinc/16/90/34/1131169034.db2.gz GNIHAJMSJKNFRT-ZDUSSCGKSA-N 0 1 267.800 3.568 20 0 CHADMN Cc1ccc(CN(C)Cc2ccccc2N(C)C)cc1F ZINC001170872463 1131169360 /nfs/dbraw/zinc/16/93/60/1131169360.db2.gz XNZNXQJDNCQWSJ-UHFFFAOYSA-N 0 1 286.394 3.832 20 0 CHADMN Cc1cc(CN2[C@@H]3CC[C@H]2CC(=O)C3)cc(C)c1Cl ZINC001238091033 1131171363 /nfs/dbraw/zinc/17/13/63/1131171363.db2.gz VHYDWKFDLBHDFF-OKILXGFUSA-N 0 1 277.795 3.653 20 0 CHADMN Cc1ccc(O)cc1CN1CC[C@H]1c1ccccc1 ZINC001238107562 1131171796 /nfs/dbraw/zinc/17/17/96/1131171796.db2.gz SBADQICLCZCDFW-KRWDZBQOSA-N 0 1 253.345 3.648 20 0 CHADMN Clc1ccc2c(c1)CCN(Cc1cccc3cncn31)C2 ZINC001238118686 1131171855 /nfs/dbraw/zinc/17/18/55/1131171855.db2.gz KXJNCNGJWNPPIM-UHFFFAOYSA-N 0 1 297.789 3.546 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@@H+]1CCC[C@H](C)[C@H](C)C1 ZINC001238142205 1131173686 /nfs/dbraw/zinc/17/36/86/1131173686.db2.gz PSIZMOQIYVHQHX-GXTWGEPZSA-N 0 1 275.392 3.561 20 0 CHADMN Cc1cccc(CC[N@H+](C)Cc2ccc(C(=O)[O-])cc2C)c1 ZINC001238150326 1131173731 /nfs/dbraw/zinc/17/37/31/1131173731.db2.gz WMAYROGTJGDVII-UHFFFAOYSA-N 0 1 297.398 3.676 20 0 CHADMN Cc1cccc2c1C[N@@H+](Cc1ccc(C(=O)[O-])cc1C)C2 ZINC001238139636 1131174400 /nfs/dbraw/zinc/17/44/00/1131174400.db2.gz ILOAKIQORNIZDU-UHFFFAOYSA-N 0 1 281.355 3.517 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2cc(Cl)c([O-])cc2F)C1 ZINC001238150453 1131174548 /nfs/dbraw/zinc/17/45/48/1131174548.db2.gz VBWIGZYEOYPCSX-JTQLQIEISA-N 0 1 271.763 3.807 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1Cl ZINC001238150030 1131174561 /nfs/dbraw/zinc/17/45/61/1131174561.db2.gz PPYGSVYCBZBDCN-IINYFYTJSA-N 0 1 283.774 3.949 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccnc(Cl)c2)cc(C)n1 ZINC000817590167 1131175067 /nfs/dbraw/zinc/17/50/67/1131175067.db2.gz VBLWBGSQCVKZEL-LBPRGKRZSA-N 0 1 275.783 3.598 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@H+]1CCc2ccccc2[C@@H]1C ZINC001238134456 1131175100 /nfs/dbraw/zinc/17/51/00/1131175100.db2.gz FKUAGKISMFEIBW-AWEZNQCLSA-N 0 1 295.382 3.813 20 0 CHADMN Cc1cccc(CN(Cc2cncnc2C)C2CC2)c1C ZINC001238171559 1131175837 /nfs/dbraw/zinc/17/58/37/1131175837.db2.gz APHOIPRJIHELRT-UHFFFAOYSA-N 0 1 281.403 3.566 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2cncnc2C)cc1 ZINC001238167000 1131176708 /nfs/dbraw/zinc/17/67/08/1131176708.db2.gz HJXXESRHUHEYOC-SFHVURJKSA-N 0 1 297.402 3.521 20 0 CHADMN CC(C)c1cc(CN2CC[C@@H](O)[C@H](F)CC2)ccc1Cl ZINC001238220376 1131183204 /nfs/dbraw/zinc/18/32/04/1131183204.db2.gz UDTXJPMINIFUGQ-HZPDHXFCSA-N 0 1 299.817 3.758 20 0 CHADMN Fc1ccnc(Cl)c1CN1CCC[C@H]2CCC[C@@H]21 ZINC001238230226 1131186186 /nfs/dbraw/zinc/18/61/86/1131186186.db2.gz LTXCSHPUQZJJLU-MFKMUULPSA-N 0 1 268.763 3.639 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1C2CCC1CC2 ZINC001238321690 1131191092 /nfs/dbraw/zinc/19/10/92/1131191092.db2.gz BRDQURRNGICWHP-UHFFFAOYSA-N 0 1 263.356 3.740 20 0 CHADMN Oc1ccc(F)c(CN2CC[C@H]3CCCC[C@H]3C2)c1F ZINC001117721009 1131194212 /nfs/dbraw/zinc/19/42/12/1131194212.db2.gz JJYJBDBSVAWNAW-NEPJUHHUSA-N 0 1 281.346 3.683 20 0 CHADMN Cc1cc(CN2CCC(C(F)F)CC2)cnc1OC(C)C ZINC001238388444 1131194832 /nfs/dbraw/zinc/19/48/32/1131194832.db2.gz ZHFZTRIGCWWSOB-UHFFFAOYSA-N 0 1 298.377 3.654 20 0 CHADMN CC(C)Oc1cccc(CN2CCCCC2)c1F ZINC001238421925 1131196861 /nfs/dbraw/zinc/19/68/61/1131196861.db2.gz JEYXDKAYUFODMF-UHFFFAOYSA-N 0 1 251.345 3.599 20 0 CHADMN CC(C)Oc1cccc(CN2CC[C@@](C)(CF)C2)c1F ZINC001238425701 1131198997 /nfs/dbraw/zinc/19/89/97/1131198997.db2.gz ZXODMMXNVVUIGL-INIZCTEOSA-N 0 1 283.362 3.794 20 0 CHADMN Cc1cnc(CN2CCC(Oc3ccccc3)CC2)c(C)c1 ZINC001238424599 1131199015 /nfs/dbraw/zinc/19/90/15/1131199015.db2.gz DHSONZKWVCYPAV-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN CC(C)Oc1cccc(CN2CCC(CF)CC2)c1F ZINC001238428617 1131199141 /nfs/dbraw/zinc/19/91/41/1131199141.db2.gz YRCNSGRYUDBLHE-UHFFFAOYSA-N 0 1 283.362 3.794 20 0 CHADMN CC(C)Oc1ccc(CN2C3CCC2CC3)c(F)c1 ZINC001238446856 1131202377 /nfs/dbraw/zinc/20/23/77/1131202377.db2.gz ABEVLXJULZLJCK-UHFFFAOYSA-N 0 1 263.356 3.740 20 0 CHADMN CCO[C@H]1CCCN(Cc2ccc(OC(C)C)cc2F)C1 ZINC001238452483 1131202619 /nfs/dbraw/zinc/20/26/19/1131202619.db2.gz XUTBFDISTBZPFT-INIZCTEOSA-N 0 1 295.398 3.614 20 0 CHADMN COc1c(CN2CC[C@H](C)C[C@H]2C)ccc(F)c1F ZINC001238474105 1131206329 /nfs/dbraw/zinc/20/63/29/1131206329.db2.gz UOPMDSMAOPQNIE-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN CC[C@H](NCc1cnc(C2CC2)nc1)c1ccc(F)cc1 ZINC001118033287 1131208370 /nfs/dbraw/zinc/20/83/70/1131208370.db2.gz HPWPSYRBIVXKKK-INIZCTEOSA-N 0 1 285.366 3.734 20 0 CHADMN Fc1ccc(C[N@H+]2CC[C@]3(C2)CCCCO3)cc1C1CC1 ZINC001238499675 1131210276 /nfs/dbraw/zinc/21/02/76/1131210276.db2.gz VNYQZWIXXCFREI-SFHVURJKSA-N 0 1 289.394 3.848 20 0 CHADMN Cc1c(Cl)ccc(CN2CCC[C@](C)(O)[C@H](C)C2)c1F ZINC001238511927 1131210738 /nfs/dbraw/zinc/21/07/38/1131210738.db2.gz JKPPSOBDDPZMSP-BZNIZROVSA-N 0 1 299.817 3.770 20 0 CHADMN Cc1c(Cl)ccc(CN2CCC[C@@]3(CCOC3)C2)c1F ZINC001238514086 1131211625 /nfs/dbraw/zinc/21/16/25/1131211625.db2.gz XIJSNBAFQVSPFX-MRXNPFEDSA-N 0 1 297.801 3.790 20 0 CHADMN CCCN(C)Cc1ccc(F)c(OC(C)C)c1F ZINC001238528940 1131213435 /nfs/dbraw/zinc/21/34/35/1131213435.db2.gz WXDOSVFATAPEAX-UHFFFAOYSA-N 0 1 257.324 3.594 20 0 CHADMN CCCO[C@H]1CCN(Cc2cc(C)ccc2Cl)C1 ZINC001238556988 1131215049 /nfs/dbraw/zinc/21/50/49/1131215049.db2.gz NCVVRFNAROLTOG-AWEZNQCLSA-N 0 1 267.800 3.649 20 0 CHADMN CN(Cc1ccc(F)c(-c2ccccc2)c1)C1(C)COC1 ZINC001238553622 1131215091 /nfs/dbraw/zinc/21/50/91/1131215091.db2.gz ZGWAXFGCGNYAFW-UHFFFAOYSA-N 0 1 285.362 3.713 20 0 CHADMN Cc1cc(F)cc(Br)c1CN1CC[C@H](C)C1 ZINC001238562698 1131216949 /nfs/dbraw/zinc/21/69/49/1131216949.db2.gz NDBDVXJAIKTDSY-VIFPVBQESA-N 0 1 286.188 3.738 20 0 CHADMN CCCc1[nH]ncc1C(=O)Nc1ccc(C)c(SC)c1 ZINC001118271702 1131217141 /nfs/dbraw/zinc/21/71/41/1131217141.db2.gz YGMVZZJCWPRBNZ-UHFFFAOYSA-N 0 1 289.404 3.645 20 0 CHADMN CC(C)Oc1cc(CN2CCCCC[C@@H]2C)cnc1F ZINC001238593760 1131219287 /nfs/dbraw/zinc/21/92/87/1131219287.db2.gz ZGYWOWWIUHOULT-ZDUSSCGKSA-N 0 1 280.387 3.772 20 0 CHADMN CC(C)Oc1cc(CN2CCCCC[C@H]2C)cnc1F ZINC001238593758 1131219332 /nfs/dbraw/zinc/21/93/32/1131219332.db2.gz ZGYWOWWIUHOULT-CYBMUJFWSA-N 0 1 280.387 3.772 20 0 CHADMN COc1cc(C)cc(F)c1CN1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001238588902 1131219909 /nfs/dbraw/zinc/21/99/09/1131219909.db2.gz PXPHLDFYLLLHSF-TXEJJXNPSA-N 0 1 299.336 3.620 20 0 CHADMN Cc1cc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cnc1-c1ccccc1 ZINC001238610101 1131221899 /nfs/dbraw/zinc/22/18/99/1131221899.db2.gz VEYJTXXUVVYDSH-OKZBNKHCSA-N 0 1 296.389 3.847 20 0 CHADMN Cc1cc(CNc2ccc3c(c2)C=CCCC3)n[nH]1 ZINC001118424185 1131225077 /nfs/dbraw/zinc/22/50/77/1131225077.db2.gz SYJAPZZEASAHOF-UHFFFAOYSA-N 0 1 253.349 3.680 20 0 CHADMN CCOc1cc(F)c(F)cc1CN1C[C@H]2CCC[C@@H]2C1 ZINC001238652195 1131226945 /nfs/dbraw/zinc/22/69/45/1131226945.db2.gz OIVLZGNTKKXQCY-VXGBXAGGSA-N 0 1 281.346 3.595 20 0 CHADMN CSc1ccc(Cl)cc1CN1CCCO[C@H](C)C1 ZINC001238671077 1131227298 /nfs/dbraw/zinc/22/72/98/1131227298.db2.gz IWLPKVUBMZXOCL-LLVKDONJSA-N 0 1 285.840 3.673 20 0 CHADMN CCCN(C)Cc1cc(-c2ccccc2)cnc1F ZINC001238659970 1131227997 /nfs/dbraw/zinc/22/79/97/1131227997.db2.gz WYEZKXHDKVNTRV-UHFFFAOYSA-N 0 1 258.340 3.730 20 0 CHADMN Cc1cc(OC(C)C)cc(C)c1CN1CCOC(C)(C)C1 ZINC001238665483 1131228264 /nfs/dbraw/zinc/22/82/64/1131228264.db2.gz BGUSWKAEAWGNEC-UHFFFAOYSA-N 0 1 291.435 3.701 20 0 CHADMN CSc1ccc(Cl)cc1CN1CCC(F)CC1 ZINC001238671860 1131228898 /nfs/dbraw/zinc/22/88/98/1131228898.db2.gz MQAGHLOOWQNNDA-UHFFFAOYSA-N 0 1 273.804 3.996 20 0 CHADMN CN(Cc1nc(Br)cs1)CC1CCCC1 ZINC001137780814 1131415579 /nfs/dbraw/zinc/41/55/79/1131415579.db2.gz MIBPYVGGICYVPR-UHFFFAOYSA-N 0 1 289.242 3.528 20 0 CHADMN Cc1ccc2oc(-c3noc([C@@H]4C[C@H](C)CCN4)n3)cc2c1 ZINC000823135641 1131416284 /nfs/dbraw/zinc/41/62/84/1131416284.db2.gz UEQMVIXAZMTUQX-YPMHNXCESA-N 0 1 297.358 3.852 20 0 CHADMN CCC(CC)N(C)Cc1nc(Br)cs1 ZINC001137780960 1131416550 /nfs/dbraw/zinc/41/65/50/1131416550.db2.gz PKICPGSPFPJGCO-UHFFFAOYSA-N 0 1 277.231 3.526 20 0 CHADMN CCOC(=O)C(C)(C)CCC[C@H](C)NCC(F)(F)CC ZINC001474631090 1131417188 /nfs/dbraw/zinc/41/71/88/1131417188.db2.gz WWNXLNROFOBVRA-LBPRGKRZSA-N 0 1 293.398 3.769 20 0 CHADMN CCN(Cc1ccc(C)cc1Br)C(C)C ZINC001137803319 1131418064 /nfs/dbraw/zinc/41/80/64/1131418064.db2.gz YTZBFRULERYAMV-UHFFFAOYSA-N 0 1 270.214 3.988 20 0 CHADMN CCOC(=O)CN(Cc1c(C)cccc1C)C1CCCC1 ZINC001137852636 1131423987 /nfs/dbraw/zinc/42/39/87/1131423987.db2.gz LIDNSMFYYIOZOI-UHFFFAOYSA-N 0 1 289.419 3.611 20 0 CHADMN CCC(CC)N(Cc1cc(F)ncc1F)C1CC1 ZINC000823399592 1131425164 /nfs/dbraw/zinc/42/51/64/1131425164.db2.gz KODUYOULVLIPAH-UHFFFAOYSA-N 0 1 254.324 3.513 20 0 CHADMN Fc1cc(F)c(F)c(CN2CC[C@H]3CCC[C@@H]3C2)c1 ZINC001137868290 1131426497 /nfs/dbraw/zinc/42/64/97/1131426497.db2.gz HFXDWVPTNHOCCG-GHMZBOCLSA-N 0 1 269.310 3.726 20 0 CHADMN CN(Cc1cc(F)cc(F)c1F)CC1CC(F)(F)C1 ZINC001137873477 1131426828 /nfs/dbraw/zinc/42/68/28/1131426828.db2.gz GLIXQPJHGUXVQH-UHFFFAOYSA-N 0 1 279.252 3.581 20 0 CHADMN CN(Cc1cc(F)ncc1F)C1CCC(C)(C)CC1 ZINC000823459137 1131428391 /nfs/dbraw/zinc/42/83/91/1131428391.db2.gz PVVGJJYASOVUMW-UHFFFAOYSA-N 0 1 268.351 3.760 20 0 CHADMN C[C@@H](NCc1cc(C2CC2)nn1C)c1cc2ccccc2o1 ZINC000823609348 1131433272 /nfs/dbraw/zinc/43/32/72/1131433272.db2.gz UBALQZYSESGVLK-GFCCVEGCSA-N 0 1 295.386 3.895 20 0 CHADMN FC1(F)CCC[C@@H]1N[C@H]1CCc2c(Cl)cccc2C1 ZINC001171022208 1131434259 /nfs/dbraw/zinc/43/42/59/1131434259.db2.gz KHGDSKQVZHKLGL-FZMZJTMJSA-N 0 1 285.765 3.975 20 0 CHADMN FC1(F)CCC[C@H]1N[C@H]1CCc2c(Cl)cccc2C1 ZINC001171022210 1131434713 /nfs/dbraw/zinc/43/47/13/1131434713.db2.gz KHGDSKQVZHKLGL-SMDDNHRTSA-N 0 1 285.765 3.975 20 0 CHADMN Cc1ccc(F)c(CC(=O)Nc2cccc(Cl)c2O)c1 ZINC001137933056 1131438013 /nfs/dbraw/zinc/43/80/13/1131438013.db2.gz SKOOGWUHRQFUCI-UHFFFAOYSA-N 0 1 293.725 3.674 20 0 CHADMN CN(CCc1ccc(F)cc1)Cc1ccc(F)c(F)c1F ZINC001137939463 1131439045 /nfs/dbraw/zinc/43/90/45/1131439045.db2.gz ZKKCKXGZEQABID-UHFFFAOYSA-N 0 1 297.295 3.918 20 0 CHADMN Cc1cc2cc[nH]c2c(N[C@@H]2CCc3ccc(O)cc3C2)n1 ZINC001171029158 1131440944 /nfs/dbraw/zinc/44/09/44/1131440944.db2.gz QZTUOLWVVVFKSP-OAHLLOKOSA-N 0 1 293.370 3.546 20 0 CHADMN C[C@H]1Cc2ccccc2[C@H]1NCc1ccnc(Cl)c1F ZINC000823790326 1131443262 /nfs/dbraw/zinc/44/32/62/1131443262.db2.gz YDDLEJQTOJBRSE-BONVTDFDSA-N 0 1 290.769 3.897 20 0 CHADMN CCC[C@H](N[C@H](CC(C)C)C(=O)OCC)C1CCC1 ZINC001171036233 1131446108 /nfs/dbraw/zinc/44/61/08/1131446108.db2.gz NNKBTNWLAVQNDN-LSDHHAIUSA-N 0 1 269.429 3.523 20 0 CHADMN CC(C)C[C@@H](NCc1cc(C2CC2)nn1C)c1ccccn1 ZINC000824017659 1131453035 /nfs/dbraw/zinc/45/30/35/1131453035.db2.gz GTQATERVVUIRKC-GOSISDBHSA-N 0 1 298.434 3.570 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC[C@@](C)(CO)CC2)c1F ZINC001138030525 1131455071 /nfs/dbraw/zinc/45/50/71/1131455071.db2.gz JDYHLGJEIDSTST-MRXNPFEDSA-N 0 1 299.817 3.772 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC3(CCCO3)CC2)c1F ZINC001138034584 1131456130 /nfs/dbraw/zinc/45/61/30/1131456130.db2.gz LQMMCHWOFDAWGX-UHFFFAOYSA-N 0 1 297.801 3.933 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC[C@H](CF)C2)c1F ZINC001138034518 1131456153 /nfs/dbraw/zinc/45/61/53/1131456153.db2.gz IPQKZOUJERTPFQ-LLVKDONJSA-N 0 1 273.754 3.969 20 0 CHADMN Cc1ccc(Cl)c(CN2C[C@@H]3CCCC(=O)[C@@H]3C2)c1F ZINC001138037062 1131456876 /nfs/dbraw/zinc/45/68/76/1131456876.db2.gz IXFJIALLUKNPSW-NWDGAFQWSA-N 0 1 295.785 3.589 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cc3cc(F)ncc3F)C2)cc1 ZINC000824153826 1131456917 /nfs/dbraw/zinc/45/69/17/1131456917.db2.gz WOMDXJARRBJSNZ-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN CO[C@@H]1CCN(Cc2c(Cl)ccc(C)c2F)[C@@H](C)C1 ZINC001138036939 1131457356 /nfs/dbraw/zinc/45/73/56/1131457356.db2.gz CJJWQPKBXVWVIY-NWDGAFQWSA-N 0 1 285.790 3.787 20 0 CHADMN CC(C)[C@@H]1COCCN1[C@H]1CCc2c(Cl)cccc2C1 ZINC001171049872 1131459235 /nfs/dbraw/zinc/45/92/35/1131459235.db2.gz NPLSQDQQMLCXSY-YOEHRIQHSA-N 0 1 293.838 3.554 20 0 CHADMN Cc1oncc1CNC1(c2cccc(Cl)c2)CCC1 ZINC000830597568 1131462601 /nfs/dbraw/zinc/46/26/01/1131462601.db2.gz OVIXJWHTCXJDBY-UHFFFAOYSA-N 0 1 276.767 3.805 20 0 CHADMN Clc1cccc2[nH]c(CN3CCC4(CCO4)CC3)cc21 ZINC001136862698 1131465512 /nfs/dbraw/zinc/46/55/12/1131465512.db2.gz WSIWQBIRXFWBTI-UHFFFAOYSA-N 0 1 290.794 3.576 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2c[nH]cn2)cc1C ZINC001136873579 1131468470 /nfs/dbraw/zinc/46/84/70/1131468470.db2.gz SWCJKXAVKNKXKD-KRWDZBQOSA-N 0 1 269.392 3.754 20 0 CHADMN CCN(Cc1cnc2cc(C)ccn12)Cc1ccc(F)cc1 ZINC001136891076 1131472308 /nfs/dbraw/zinc/47/23/08/1131472308.db2.gz HAFWKWFBKJQMPB-UHFFFAOYSA-N 0 1 297.377 3.804 20 0 CHADMN Clc1nc2ccccn2c1CNCC1=CCCCC1 ZINC000824537443 1131473605 /nfs/dbraw/zinc/47/36/05/1131473605.db2.gz CGDWIDXVAXDQKU-UHFFFAOYSA-N 0 1 275.783 3.578 20 0 CHADMN FC(F)SCc1ccc(CN2CC[C@@H]2C2CC2)o1 ZINC000824650748 1131478129 /nfs/dbraw/zinc/47/81/29/1131478129.db2.gz PYGACLIPEIZKKN-GFCCVEGCSA-N 0 1 273.348 3.720 20 0 CHADMN OCC[C@@H](NCc1ccoc1)c1cccc(C(F)(F)F)c1 ZINC000824672742 1131478823 /nfs/dbraw/zinc/47/88/23/1131478823.db2.gz HLQNZGSRFLDNMI-CQSZACIVSA-N 0 1 299.292 3.512 20 0 CHADMN Cc1cc(CNCc2ccnc(C(F)(F)F)c2)c(C)o1 ZINC000824661095 1131478859 /nfs/dbraw/zinc/47/88/59/1131478859.db2.gz PJXNPBXJGUVYEV-UHFFFAOYSA-N 0 1 284.281 3.600 20 0 CHADMN Clc1cc2c(cc1CN1CCC13CCCCC3)OCO2 ZINC001138239894 1131481114 /nfs/dbraw/zinc/48/11/14/1131481114.db2.gz UJMZSUILFNJDFZ-UHFFFAOYSA-N 0 1 293.794 3.977 20 0 CHADMN CC1(C)CCN(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC001138243156 1131481199 /nfs/dbraw/zinc/48/11/99/1131481199.db2.gz AUTVJZRACHJEAC-UHFFFAOYSA-N 0 1 281.783 3.691 20 0 CHADMN Cc1cccc(C)c1CN1CC[C@](C)(F)[C@H](F)C1 ZINC001137847798 1131481843 /nfs/dbraw/zinc/48/18/43/1131481843.db2.gz GAOYYENNXDPKRY-CABCVRRESA-N 0 1 253.336 3.575 20 0 CHADMN C[C@]1(C[NH2+]Cc2cccc([O-])c2Cl)CC1(Cl)Cl ZINC000824780320 1131483756 /nfs/dbraw/zinc/48/37/56/1131483756.db2.gz KJKSMQYDAJGVQY-LLVKDONJSA-N 0 1 294.609 3.719 20 0 CHADMN CCN(Cc1cnc2c(C)cccn12)Cc1ccc(F)cc1 ZINC001136965461 1131489769 /nfs/dbraw/zinc/48/97/69/1131489769.db2.gz PPDUGEZWIAJFAE-UHFFFAOYSA-N 0 1 297.377 3.804 20 0 CHADMN Cc1cc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)cc(Cl)n1 ZINC000824942401 1131490261 /nfs/dbraw/zinc/49/02/61/1131490261.db2.gz ZDAXYORUBWEYIW-ZBFHGGJFSA-N 0 1 276.811 3.664 20 0 CHADMN CCc1cccc2c(CN3CCC(=O)[C@@H](C)CC3)c[nH]c21 ZINC001138359826 1131494015 /nfs/dbraw/zinc/49/40/15/1131494015.db2.gz JGNJGLDRDLIAJI-ZDUSSCGKSA-N 0 1 284.403 3.531 20 0 CHADMN CCCC1CCN(Cc2cc(F)ccc2OC)CC1 ZINC001138373522 1131496458 /nfs/dbraw/zinc/49/64/58/1131496458.db2.gz DBBQPKVFUQTVIB-UHFFFAOYSA-N 0 1 265.372 3.846 20 0 CHADMN COc1ccc(F)cc1CN1CC[C@H](C)C(F)(F)CC1 ZINC001138371537 1131496316 /nfs/dbraw/zinc/49/63/16/1131496316.db2.gz XEZDOQLGGRXVAA-NSHDSACASA-N 0 1 287.325 3.702 20 0 CHADMN CCc1nc(CN[C@@H](C)Cc2ccccc2SC)co1 ZINC000825058230 1131496681 /nfs/dbraw/zinc/49/66/81/1131496681.db2.gz VABUQZSKCNKHEE-LBPRGKRZSA-N 0 1 290.432 3.680 20 0 CHADMN CCc1nc(CNC2CC(c3ccccc3C)C2)co1 ZINC000825057916 1131497098 /nfs/dbraw/zinc/49/70/98/1131497098.db2.gz RNHBHSNFWZVTOG-UHFFFAOYSA-N 0 1 270.376 3.581 20 0 CHADMN COc1cccc(F)c1CN(C)CCc1cccc(C)c1 ZINC001138385024 1131497312 /nfs/dbraw/zinc/49/73/12/1131497312.db2.gz FJKHCQWNMLHLFR-UHFFFAOYSA-N 0 1 287.378 3.817 20 0 CHADMN COc1cccc(F)c1CN(C)CCc1cccc(F)c1 ZINC001138387105 1131497445 /nfs/dbraw/zinc/49/74/45/1131497445.db2.gz YIYMUTOMKQBRLP-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001138396033 1131498529 /nfs/dbraw/zinc/49/85/29/1131498529.db2.gz GKYWOFQYNZCWGA-QGZVFWFLSA-N 0 1 296.414 3.632 20 0 CHADMN [O-]c1cccnc1C[N@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001138396033 1131498530 /nfs/dbraw/zinc/49/85/30/1131498530.db2.gz GKYWOFQYNZCWGA-QGZVFWFLSA-N 0 1 296.414 3.632 20 0 CHADMN CC1(C)CN(Cc2c[nH]c3cccc(F)c23)CC(C)(C)O1 ZINC001136986975 1131499045 /nfs/dbraw/zinc/49/90/45/1131499045.db2.gz DEFHJNMATHZZHE-UHFFFAOYSA-N 0 1 290.382 3.696 20 0 CHADMN CCCC1CCN(Cc2cncc(Cl)c2)CC1 ZINC001136994016 1131499585 /nfs/dbraw/zinc/49/95/85/1131499585.db2.gz BHEJCACBTPANSR-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN Cc1c2cc(F)ccc2[nH]c1CN1CC2(C1)CCCC2 ZINC001138410034 1131499999 /nfs/dbraw/zinc/49/99/99/1131499999.db2.gz QDIZPBDEZBPHFE-UHFFFAOYSA-N 0 1 272.367 3.991 20 0 CHADMN COc1ncc(CN2CCc3ccccc3[C@H]2C)cc1C ZINC001137000508 1131501552 /nfs/dbraw/zinc/50/15/52/1131501552.db2.gz XQFNXPCAVHDAPR-CQSZACIVSA-N 0 1 282.387 3.518 20 0 CHADMN CCOc1ccc(CN2CC3(C2)CC(F)(F)C3)c(C)c1 ZINC001138430930 1131504733 /nfs/dbraw/zinc/50/47/33/1131504733.db2.gz NCHNSOVFXFQORX-UHFFFAOYSA-N 0 1 281.346 3.625 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1ncc(C(F)(F)F)[nH]1 ZINC001137015891 1131505320 /nfs/dbraw/zinc/50/53/20/1131505320.db2.gz AWYUACAUECDTIG-SNVBAGLBSA-N 0 1 275.318 3.583 20 0 CHADMN Cc1nn(C)c(Cl)c1CN(C(C)C)C1CC(C)(C)C1 ZINC000825332042 1131507361 /nfs/dbraw/zinc/50/73/61/1131507361.db2.gz QKTPBSPKXQQUPR-UHFFFAOYSA-N 0 1 283.847 3.781 20 0 CHADMN CC(C)[C@@H]1N(Cc2cnc([C@@H](C)O)s2)CC12CCCC2 ZINC000825339084 1131507439 /nfs/dbraw/zinc/50/74/39/1131507439.db2.gz ZYYXVKWJFHMFQE-OCCSQVGLSA-N 0 1 294.464 3.597 20 0 CHADMN Cc1c2ccccc2sc1CN1CCCC12COC2 ZINC001138460901 1131508065 /nfs/dbraw/zinc/50/80/65/1131508065.db2.gz VRKHCZBFVZKZJB-UHFFFAOYSA-N 0 1 273.401 3.575 20 0 CHADMN COc1ccc(CN2CC[C@](C)(CF)C2)cc1Cl ZINC001138469861 1131509330 /nfs/dbraw/zinc/50/93/30/1131509330.db2.gz HENKHDMMPCWZAS-CQSZACIVSA-N 0 1 271.763 3.530 20 0 CHADMN Cc1cc(CN2CCCC23CC3)ccc1Br ZINC001137613370 1131513910 /nfs/dbraw/zinc/51/39/10/1131513910.db2.gz WIWAZKRYBUWSJA-UHFFFAOYSA-N 0 1 280.209 3.886 20 0 CHADMN Cc1ccc(Nc2c3cn[nH]c3ccc2C)c(N)c1C ZINC001160377018 1131514674 /nfs/dbraw/zinc/51/46/74/1131514674.db2.gz GZGKJBKVNZSAIS-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN CCC/C=C/C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831879904 1131517674 /nfs/dbraw/zinc/51/76/74/1131517674.db2.gz PPLGRBJBRXHMGD-MRZGDXHCSA-N 0 1 289.423 3.595 20 0 CHADMN CCCCCC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831917819 1131519853 /nfs/dbraw/zinc/51/98/53/1131519853.db2.gz FAVLXKAFJUHWQN-AWEZNQCLSA-N 0 1 291.439 3.819 20 0 CHADMN CC/C=C(\C)C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831909939 1131520402 /nfs/dbraw/zinc/52/04/02/1131520402.db2.gz BZYMQRATNIIQFA-WTWVRAIASA-N 0 1 289.423 3.595 20 0 CHADMN Cc1ccc(C(F)(F)F)c(CN2CCC(F)CC2)c1 ZINC001143672279 1131523176 /nfs/dbraw/zinc/52/31/76/1131523176.db2.gz ASGURGGFBYODAL-UHFFFAOYSA-N 0 1 275.289 3.948 20 0 CHADMN Cc1ccc(C(F)(F)F)c(CN2CC3(C2)CCOCC3)c1 ZINC001143675907 1131523411 /nfs/dbraw/zinc/52/34/11/1131523411.db2.gz CBCMAWRUGOUHRC-UHFFFAOYSA-N 0 1 299.336 3.626 20 0 CHADMN Cc1ccc(C(F)(F)F)c(CN2CCCO[C@@H](C)C2)c1 ZINC001143672652 1131524008 /nfs/dbraw/zinc/52/40/08/1131524008.db2.gz OJCMUPYHLJEFQQ-LBPRGKRZSA-N 0 1 287.325 3.625 20 0 CHADMN CC[N@@H+](Cc1c[nH]c2cc(OC)ccc12)Cc1ccccn1 ZINC001138590588 1131525079 /nfs/dbraw/zinc/52/50/79/1131525079.db2.gz UAWNMSBTJZHNMO-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN CCCn1ncc(CN(C)Cc2cccc(C)c2)c1C ZINC001138636907 1131530477 /nfs/dbraw/zinc/53/04/77/1131530477.db2.gz JWENPGFVOWPUGD-UHFFFAOYSA-N 0 1 271.408 3.542 20 0 CHADMN CCn1nc(C)c(CN2CCC[C@@H]2c2ccc(C)nc2)c1C ZINC001138646068 1131531683 /nfs/dbraw/zinc/53/16/83/1131531683.db2.gz IRDLULYAEJJDTC-GOSISDBHSA-N 0 1 298.434 3.560 20 0 CHADMN CCCn1ncc(CN(C)Cc2ccc(C)c(C)c2)c1C ZINC001138642265 1131531746 /nfs/dbraw/zinc/53/17/46/1131531746.db2.gz RSXBMZDOAITFJN-UHFFFAOYSA-N 0 1 285.435 3.850 20 0 CHADMN Cc1c(F)cc(F)cc1CN1CC[C@H](F)C(F)(F)CC1 ZINC001143757912 1131531934 /nfs/dbraw/zinc/53/19/34/1131531934.db2.gz PZWGSMOOSCRQGJ-ZDUSSCGKSA-N 0 1 293.279 3.842 20 0 CHADMN CCSc1ncc(CN(CC)Cc2ccccc2)cn1 ZINC001138651179 1131532948 /nfs/dbraw/zinc/53/29/48/1131532948.db2.gz JPHAZQLUUKACRI-UHFFFAOYSA-N 0 1 287.432 3.611 20 0 CHADMN CN(Cc1c(Cl)[nH]c2ccccc21)C[C@H]1CCCCO1 ZINC001138688252 1131536882 /nfs/dbraw/zinc/53/68/82/1131536882.db2.gz WTXYKPPZJLNQMB-GFCCVEGCSA-N 0 1 292.810 3.822 20 0 CHADMN CCOc1c(Cl)ccc(CN2C[C@@H]3[C@H](C2)C3(C)C)c1F ZINC001143832940 1131537673 /nfs/dbraw/zinc/53/76/73/1131537673.db2.gz QQEJACWEAXUWMD-TXEJJXNPSA-N 0 1 297.801 3.966 20 0 CHADMN CN(C)Cc1ccc(-c2ccc([C@H](O)C3CC3)cc2)cc1F ZINC000844230037 1131539732 /nfs/dbraw/zinc/53/97/32/1131539732.db2.gz UXORWYKTUIQAHD-IBGZPJMESA-N 0 1 299.389 3.998 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cnc3[nH]ccc3c2)cn1 ZINC001138737114 1131543714 /nfs/dbraw/zinc/54/37/14/1131543714.db2.gz CNKHPDIYRMHMOG-KRWDZBQOSA-N 0 1 292.386 3.603 20 0 CHADMN COc1cc(Cl)cc(CN2CCC(C)(C)C2)c1OC ZINC001138746559 1131545022 /nfs/dbraw/zinc/54/50/22/1131545022.db2.gz HVWFTCZEPXQKDO-UHFFFAOYSA-N 0 1 283.799 3.589 20 0 CHADMN CCCCc1ccc(CN2CCCC(=O)[C@@H](C)C2)s1 ZINC001138753410 1131546310 /nfs/dbraw/zinc/54/63/10/1131546310.db2.gz QQPOBDCKWWVQBI-ZDUSSCGKSA-N 0 1 279.449 3.892 20 0 CHADMN CCC1(CC)CN(C([O-])=[NH+]c2ccncc2)c2ccccc21 ZINC001202865432 1131548934 /nfs/dbraw/zinc/54/89/34/1131548934.db2.gz XNABTYMZTOKUKZ-UHFFFAOYSA-N 0 1 295.386 3.613 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2cc3n(n2)CCCC3)C1 ZINC000844329627 1131549414 /nfs/dbraw/zinc/54/94/14/1131549414.db2.gz IXNVJOYOJMWUQE-BEFAXECRSA-N 0 1 295.430 3.803 20 0 CHADMN Fc1ncccc1CN1CCC[C@H]1c1ccccc1 ZINC001138789362 1131549546 /nfs/dbraw/zinc/54/95/46/1131549546.db2.gz XOVPFXWDYDGMOJ-HNNXBMFYSA-N 0 1 256.324 3.558 20 0 CHADMN COc1ccc2c(c1)CN(Cc1ccc3occc3c1)CC2 ZINC001138822362 1131552654 /nfs/dbraw/zinc/55/26/54/1131552654.db2.gz DBDSALHCNANQBY-UHFFFAOYSA-N 0 1 293.366 4.000 20 0 CHADMN Cc1ccccc1C1(NCc2ccc(F)cn2)CCC1 ZINC000844350996 1131554184 /nfs/dbraw/zinc/55/41/84/1131554184.db2.gz JYRVIJOXNPEASV-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN Cc1c(CN2CCC(F)CC2)cccc1C(F)(F)F ZINC001143922261 1131554620 /nfs/dbraw/zinc/55/46/20/1131554620.db2.gz ILXSFODRCPAIJD-UHFFFAOYSA-N 0 1 275.289 3.948 20 0 CHADMN O=C(CN1CCC12CCCC2)Nc1ccc2ccccc2c1 ZINC000844356349 1131555260 /nfs/dbraw/zinc/55/52/60/1131555260.db2.gz ARESAILTFNAENL-UHFFFAOYSA-N 0 1 294.398 3.797 20 0 CHADMN FC1(F)[C@H]2CN(Cc3cc(Cl)cc4cccnc43)C[C@H]21 ZINC000844452104 1131562855 /nfs/dbraw/zinc/56/28/55/1131562855.db2.gz LLPNIGKYYWRTOE-BETUJISGSA-N 0 1 294.732 3.585 20 0 CHADMN Clc1cnc2[nH]ccc2c1CN1CCc2ccccc2C1 ZINC001138947099 1131563095 /nfs/dbraw/zinc/56/30/95/1131563095.db2.gz OFVQEAUKJARMJZ-UHFFFAOYSA-N 0 1 297.789 3.726 20 0 CHADMN Clc1cnc2[nH]ccc2c1C[N@H+]1CCCCC12CC2 ZINC001138951548 1131563508 /nfs/dbraw/zinc/56/35/08/1131563508.db2.gz DQNJVKVQDJSZEX-UHFFFAOYSA-N 0 1 275.783 3.686 20 0 CHADMN Clc1cnc2[nH]ccc2c1CN1CCCCC12CC2 ZINC001138951548 1131563510 /nfs/dbraw/zinc/56/35/10/1131563510.db2.gz DQNJVKVQDJSZEX-UHFFFAOYSA-N 0 1 275.783 3.686 20 0 CHADMN CCC(=O)Oc1ccc(CN(Cc2ccco2)C2CC2)cc1 ZINC001138964657 1131565926 /nfs/dbraw/zinc/56/59/26/1131565926.db2.gz FGGJISQBDRDKAV-UHFFFAOYSA-N 0 1 299.370 3.760 20 0 CHADMN CCOc1c(F)cc(CN2CC[C@@H](C)C[C@@H]2C)cc1F ZINC001144030543 1131570246 /nfs/dbraw/zinc/57/02/46/1131570246.db2.gz CZZXPTKLWISOLF-NEPJUHHUSA-N 0 1 283.362 3.984 20 0 CHADMN CCOc1c(F)cc(CN2C[C@@H](C)C[C@H](C)C2)cc1F ZINC001144030592 1131570637 /nfs/dbraw/zinc/57/06/37/1131570637.db2.gz GACGAGYUSQPPEA-RYUDHWBXSA-N 0 1 283.362 3.841 20 0 CHADMN c1ccc(Oc2ccccc2CN2CC3(C2)CCOC3)cc1 ZINC001139053772 1131577306 /nfs/dbraw/zinc/57/73/06/1131577306.db2.gz SXXMGSDPMKRZKB-UHFFFAOYSA-N 0 1 295.382 3.701 20 0 CHADMN C[C@]1(F)CCCN(Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC001139071927 1131579515 /nfs/dbraw/zinc/57/95/15/1131579515.db2.gz GMOZXLXNJBWUSJ-HNNXBMFYSA-N 0 1 299.773 3.783 20 0 CHADMN Cc1ccc(Oc2cccc(CN3CCC3)c2)cc1 ZINC001144086111 1131579576 /nfs/dbraw/zinc/57/95/76/1131579576.db2.gz LTRBFDQISVHWAL-UHFFFAOYSA-N 0 1 253.345 3.993 20 0 CHADMN COc1ccc(-c2ccccc2)cc1CN1CC=CC1 ZINC001139068727 1131579612 /nfs/dbraw/zinc/57/96/12/1131579612.db2.gz XXUQHCIYKHFSFB-UHFFFAOYSA-N 0 1 265.356 3.734 20 0 CHADMN CCCN(CC)Cc1ccc(Br)nc1Cl ZINC001139108501 1131582428 /nfs/dbraw/zinc/58/24/28/1131582428.db2.gz UMHRWANIHWZPTK-UHFFFAOYSA-N 0 1 291.620 3.729 20 0 CHADMN COc1ccc(CN2C[C@H](C)CC23CC3)c(Cl)c1OC ZINC001139118746 1131583622 /nfs/dbraw/zinc/58/36/22/1131583622.db2.gz NFCSUMDFQYNQDN-LLVKDONJSA-N 0 1 295.810 3.732 20 0 CHADMN COc1cc(O)ccc1CN(C)Cc1cccc(Cl)c1 ZINC001139139760 1131585015 /nfs/dbraw/zinc/58/50/15/1131585015.db2.gz AINQRMPHPPOCES-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN COc1ccc2c(c1)c(CN1CCCC[C@@H](F)C1)cn2C ZINC001139149012 1131585889 /nfs/dbraw/zinc/58/58/89/1131585889.db2.gz NDLDGIOUAJRXTD-CQSZACIVSA-N 0 1 290.382 3.511 20 0 CHADMN Cn1ccc2c1cccc2CN1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001139157948 1131588413 /nfs/dbraw/zinc/58/84/13/1131588413.db2.gz UROKJCQWFVUDFP-WMZOPIPTSA-N 0 1 296.414 3.512 20 0 CHADMN CCn1ccc2c1cccc2CN1CCc2ncccc2C1 ZINC001139158217 1131588427 /nfs/dbraw/zinc/58/84/27/1131588427.db2.gz HFXCCTHHZDFYAA-UHFFFAOYSA-N 0 1 291.398 3.615 20 0 CHADMN CCn1ccc2c1cccc2CN1CCc2ccncc2C1 ZINC001139159418 1131589573 /nfs/dbraw/zinc/58/95/73/1131589573.db2.gz XXGDAPPINNONHH-UHFFFAOYSA-N 0 1 291.398 3.615 20 0 CHADMN Clc1cc2c(cc1Cl)C[C@H](NCc1cocn1)CC2 ZINC001171143868 1131589638 /nfs/dbraw/zinc/58/96/38/1131589638.db2.gz LCONIQIVYQUBFO-LLVKDONJSA-N 0 1 297.185 3.629 20 0 CHADMN CCN(Cc1ccc2cccnc2c1)Cc1ccccn1 ZINC001139168838 1131590479 /nfs/dbraw/zinc/59/04/79/1131590479.db2.gz ZNGGQPVMQWTEHF-UHFFFAOYSA-N 0 1 277.371 3.652 20 0 CHADMN Cn1ccc2cc(CN3CCC(=O)[C@@H]4CCCC[C@@H]43)ccc21 ZINC001139188960 1131592446 /nfs/dbraw/zinc/59/24/46/1131592446.db2.gz TXDHJLBDMHYVMS-AEFFLSMTSA-N 0 1 296.414 3.512 20 0 CHADMN CN(Cc1ccc2c(ccn2C)c1)Cc1ccccc1F ZINC001139193616 1131593877 /nfs/dbraw/zinc/59/38/77/1131593877.db2.gz JZPCLDKHCNJJMG-UHFFFAOYSA-N 0 1 282.362 3.949 20 0 CHADMN CCN(Cc1ccc2c(ccn2C)c1)Cc1ccccn1 ZINC001139190815 1131593970 /nfs/dbraw/zinc/59/39/70/1131593970.db2.gz YFALCXQAOUVDQS-UHFFFAOYSA-N 0 1 279.387 3.595 20 0 CHADMN Cc1ccc(CN(C)Cc2[nH]nc3ccc(F)cc32)cc1C ZINC001144201003 1131595635 /nfs/dbraw/zinc/59/56/35/1131595635.db2.gz SXCBTARKXVQICV-UHFFFAOYSA-N 0 1 297.377 3.951 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1[nH]nc2ccc(F)cc21 ZINC001144191397 1131595923 /nfs/dbraw/zinc/59/59/23/1131595923.db2.gz LKTUHCYYYMVIBU-LBPRGKRZSA-N 0 1 295.361 3.821 20 0 CHADMN Cn1ccc2ccc(C[N@H+]3CCOC4(CCCCC4)C3)cc21 ZINC001139206601 1131596544 /nfs/dbraw/zinc/59/65/44/1131596544.db2.gz FVXCGZPLFBLNBP-UHFFFAOYSA-N 0 1 298.430 3.713 20 0 CHADMN Cn1ccc2ccc(CN3CCOC4(CCCCC4)C3)cc21 ZINC001139206601 1131596547 /nfs/dbraw/zinc/59/65/47/1131596547.db2.gz FVXCGZPLFBLNBP-UHFFFAOYSA-N 0 1 298.430 3.713 20 0 CHADMN Cc1cccc(C[N@@H+](C)Cc2ccc3nsnc3c2)c1 ZINC001139208060 1131597832 /nfs/dbraw/zinc/59/78/32/1131597832.db2.gz LUJRVWHWNRXXOC-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN F[C@H]1CN(Cc2ccc(Oc3ccccc3)nc2)C[C@@H]2C[C@@H]21 ZINC001139242844 1131598601 /nfs/dbraw/zinc/59/86/01/1131598601.db2.gz OTQWHBWSSVZNBR-XIRDDKMYSA-N 0 1 298.361 3.664 20 0 CHADMN COc1ccc(-c2ccc(CN3CC[C@@H](F)C3)s2)cc1 ZINC001139286742 1131600552 /nfs/dbraw/zinc/60/05/52/1131600552.db2.gz VWSKDPQSYCUWIU-CYBMUJFWSA-N 0 1 291.391 3.968 20 0 CHADMN CC[C@@H]1CCN(Cc2[nH]c(-c3ccccc3)nc2Cl)C1 ZINC001139284405 1131600635 /nfs/dbraw/zinc/60/06/35/1131600635.db2.gz PNNQWQSSCVFRMV-GFCCVEGCSA-N 0 1 289.810 3.962 20 0 CHADMN Cc1cc(Br)cc(CN2CCC[C@H]3C[C@H]32)c1 ZINC001144222359 1131600990 /nfs/dbraw/zinc/60/09/90/1131600990.db2.gz SRIBLOHQINEOLA-GXTWGEPZSA-N 0 1 280.209 3.742 20 0 CHADMN C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc2cc(O)ccc2c1 ZINC001139339610 1131602524 /nfs/dbraw/zinc/60/25/24/1131602524.db2.gz ANPYMUABSOHTJN-CQSZACIVSA-N 0 1 292.382 3.924 20 0 CHADMN C[C@@H]1c2cccn2CCN1Cc1ccc2cc(O)ccc2c1 ZINC001139339610 1131602527 /nfs/dbraw/zinc/60/25/27/1131602527.db2.gz ANPYMUABSOHTJN-CQSZACIVSA-N 0 1 292.382 3.924 20 0 CHADMN F[C@@H]1CCCN(Cc2cscc2Br)CC1 ZINC001139348440 1131603554 /nfs/dbraw/zinc/60/35/54/1131603554.db2.gz RSHFGAPNVQDCEB-SNVBAGLBSA-N 0 1 292.217 3.835 20 0 CHADMN C[N@@H+](Cc1ccsc1)Cc1ccc(-c2cnccn2)cc1 ZINC001139393768 1131605893 /nfs/dbraw/zinc/60/58/93/1131605893.db2.gz NBDOURPAMVJOFF-UHFFFAOYSA-N 0 1 295.411 3.837 20 0 CHADMN CN(Cc1ccsc1)Cc1ccc(-c2cnccn2)cc1 ZINC001139393768 1131605895 /nfs/dbraw/zinc/60/58/95/1131605895.db2.gz NBDOURPAMVJOFF-UHFFFAOYSA-N 0 1 295.411 3.837 20 0 CHADMN Clc1ccnc(Cl)c1CN1CCCCC12CC2 ZINC001139480674 1131610609 /nfs/dbraw/zinc/61/06/09/1131610609.db2.gz KTLAQBYUBMWGNE-UHFFFAOYSA-N 0 1 271.191 3.907 20 0 CHADMN CC(=O)C1CCN(Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001139517680 1131612480 /nfs/dbraw/zinc/61/24/80/1131612480.db2.gz ATWHIYXSWVEHFG-UHFFFAOYSA-N 0 1 294.398 3.550 20 0 CHADMN CCc1ccc(NC(=O)Nc2ccc(F)c(F)c2O)cc1 ZINC001202944157 1131613610 /nfs/dbraw/zinc/61/36/10/1131613610.db2.gz HHVGNGJGIOAABS-UHFFFAOYSA-N 0 1 292.285 3.877 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)ccc12 ZINC001144304415 1131614930 /nfs/dbraw/zinc/61/49/30/1131614930.db2.gz SWBPJUXVECLZIM-FRRDWIJNSA-N 0 1 283.375 3.636 20 0 CHADMN CCc1cccc(CN2CCC(=O)[C@@H](C)C23CCCC3)c1 ZINC001144328983 1131618483 /nfs/dbraw/zinc/61/84/83/1131618483.db2.gz NLNMQCWVNFBMSE-OAHLLOKOSA-N 0 1 285.431 3.973 20 0 CHADMN COc1cc(C[N@H+]2CCC[C@H](C)C2)ccc1Cl ZINC001139610318 1131621715 /nfs/dbraw/zinc/62/17/15/1131621715.db2.gz BSXXIOVDLIXIKL-NSHDSACASA-N 0 1 253.773 3.581 20 0 CHADMN CCC1CCN(Cc2ccc(Cl)c(OC)c2)CC1 ZINC001139612322 1131621866 /nfs/dbraw/zinc/62/18/66/1131621866.db2.gz VRWTUCVXEQAFGC-UHFFFAOYSA-N 0 1 267.800 3.971 20 0 CHADMN Cc1nc(CN(C)CC/C=C/c2cccnc2)sc1C ZINC001144375376 1131622164 /nfs/dbraw/zinc/62/21/64/1131622164.db2.gz QZGOPKGJTSIVJI-QPJJXVBHSA-N 0 1 287.432 3.690 20 0 CHADMN Cc1nc(CN(C)CCc2cccc(F)c2)sc1C ZINC001144375673 1131622545 /nfs/dbraw/zinc/62/25/45/1131622545.db2.gz XBPJUMLPWGJQQI-UHFFFAOYSA-N 0 1 278.396 3.574 20 0 CHADMN F[C@H]1CCCN(Cc2ccc(-c3cccnc3)cc2)C1 ZINC001139643943 1131625725 /nfs/dbraw/zinc/62/57/25/1131625725.db2.gz QNWVHSLHKOLJAQ-KRWDZBQOSA-N 0 1 270.351 3.683 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1ccc(-c2cccnc2)cc1 ZINC001139644754 1131626223 /nfs/dbraw/zinc/62/62/23/1131626223.db2.gz QYASSODZHWMCSU-LJQANCHMSA-N 0 1 294.398 3.692 20 0 CHADMN CCC1(C[N@H+]2CCC[C@H]2c2ccc(Cl)s2)COC1 ZINC001202962860 1131630825 /nfs/dbraw/zinc/63/08/25/1131630825.db2.gz QSXJMESVDFOKTI-NSHDSACASA-N 0 1 285.840 3.965 20 0 CHADMN Cc1cc(O)cc(C)c1CN(C)Cc1ccc(Cl)nc1 ZINC001139715125 1131632768 /nfs/dbraw/zinc/63/27/68/1131632768.db2.gz UKIDZIPJOYRQCM-UHFFFAOYSA-N 0 1 290.794 3.689 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cnc2cccnc2c1 ZINC001139742684 1131633227 /nfs/dbraw/zinc/63/32/27/1131633227.db2.gz ICBJKMLHZSVWSQ-UHFFFAOYSA-N 0 1 295.361 3.791 20 0 CHADMN Cc1ccc(CN2C[C@@H]3C[C@H]2C[C@H]3F)cc1Br ZINC001139730124 1131633376 /nfs/dbraw/zinc/63/33/76/1131633376.db2.gz GMAFCINGOLRVPD-SGMGOOAPSA-N 0 1 298.199 3.690 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1cnc2cccnc2c1 ZINC001139739437 1131633568 /nfs/dbraw/zinc/63/35/68/1131633568.db2.gz DHWRRSXVWISILM-AWEZNQCLSA-N 0 1 289.382 3.749 20 0 CHADMN COc1ncc(Cl)cc1CN1CCC[C@@H]2CCC[C@H]21 ZINC001139749190 1131634293 /nfs/dbraw/zinc/63/42/93/1131634293.db2.gz OSKACIPZCQTTIX-SMDDNHRTSA-N 0 1 280.799 3.508 20 0 CHADMN Fc1cc(CN2CCC(c3cccs3)CC2)ccn1 ZINC001139833651 1131639889 /nfs/dbraw/zinc/63/98/89/1131639889.db2.gz LDLWRFVKADGZFS-UHFFFAOYSA-N 0 1 276.380 3.662 20 0 CHADMN COCc1ccc(CN(C)Cc2ccc(OC)cc2)s1 ZINC001139825336 1131640135 /nfs/dbraw/zinc/64/01/35/1131640135.db2.gz GSHJUBYLXSWWKK-UHFFFAOYSA-N 0 1 291.416 3.535 20 0 CHADMN CO[C@@H]1CN(Cc2cccc3c4ccccc4oc32)C[C@@H]1F ZINC001139857778 1131640862 /nfs/dbraw/zinc/64/08/62/1131640862.db2.gz QMZQCNFDHPMJRA-DOTOQJQBSA-N 0 1 299.345 3.755 20 0 CHADMN C[C@@H]1CN(Cc2cccc3c4ccccc4oc32)CCC1=O ZINC001139857357 1131641562 /nfs/dbraw/zinc/64/15/62/1131641562.db2.gz JDNGRBCLALQFJP-CYBMUJFWSA-N 0 1 293.366 3.997 20 0 CHADMN CCN(Cc1cccnc1)Cc1cc(Cl)cc(OC)c1 ZINC001144488601 1131644892 /nfs/dbraw/zinc/64/48/92/1131644892.db2.gz PMPQLBMDULIDFJ-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN O=C1CC[N@@H+](Cc2ccccc2C2CC2)[C@H]2CCCC[C@H]12 ZINC001139880067 1131645024 /nfs/dbraw/zinc/64/50/24/1131645024.db2.gz XFCOSIWRMADPRY-ROUUACIJSA-N 0 1 283.415 3.898 20 0 CHADMN O=C1CCN(Cc2ccccc2C2CC2)[C@H]2CCCC[C@H]12 ZINC001139880067 1131645027 /nfs/dbraw/zinc/64/50/27/1131645027.db2.gz XFCOSIWRMADPRY-ROUUACIJSA-N 0 1 283.415 3.898 20 0 CHADMN COc1cc(Cl)cc(CN2CC[C@@]3(CC3(F)F)C2)c1 ZINC001144488822 1131645124 /nfs/dbraw/zinc/64/51/24/1131645124.db2.gz VGUZNCZAZQNDNT-CYBMUJFWSA-N 0 1 287.737 3.580 20 0 CHADMN COc1ccc(CN2CC[C@H]2C)cc1OCc1ccccc1 ZINC001144493948 1131646349 /nfs/dbraw/zinc/64/63/49/1131646349.db2.gz OCPBTVLJQXHOEK-OAHLLOKOSA-N 0 1 297.398 3.868 20 0 CHADMN C[C@@H]1CCN(Cc2cccnc2C(F)(F)F)[C@@H](C)C1 ZINC001144530980 1131652555 /nfs/dbraw/zinc/65/25/55/1131652555.db2.gz DDYMUCJTMPYUDQ-MNOVXSKESA-N 0 1 272.314 3.721 20 0 CHADMN COc1c(Cl)cccc1C[N@H+]1CCC[C@@H](C)C1 ZINC001140056020 1131660535 /nfs/dbraw/zinc/66/05/35/1131660535.db2.gz DWGNKVFCCLMFPH-LLVKDONJSA-N 0 1 253.773 3.581 20 0 CHADMN COc1c(Cl)cccc1CN1CCC[C@@H](C)C1 ZINC001140056020 1131660538 /nfs/dbraw/zinc/66/05/38/1131660538.db2.gz DWGNKVFCCLMFPH-LLVKDONJSA-N 0 1 253.773 3.581 20 0 CHADMN COc1c(Cl)cccc1CN1CCC(CF)CC1 ZINC001140067038 1131661769 /nfs/dbraw/zinc/66/17/69/1131661769.db2.gz CKZRMBJNCGJJOD-UHFFFAOYSA-N 0 1 271.763 3.530 20 0 CHADMN COc1c(Cl)cccc1CN1CCCCC12CC2 ZINC001140062351 1131661870 /nfs/dbraw/zinc/66/18/70/1131661870.db2.gz UMURCBBFVTVEFU-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN CC[C@@H](Nc1nc(C)cc(N(C)C)n1)c1ccccc1C ZINC001171199901 1131662697 /nfs/dbraw/zinc/66/26/97/1131662697.db2.gz LODXDFQCXMYQQT-OAHLLOKOSA-N 0 1 284.407 3.723 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1cc(C(F)(F)F)ccn1 ZINC001140101990 1131664607 /nfs/dbraw/zinc/66/46/07/1131664607.db2.gz GOSKTIITCZHBHH-GHMZBOCLSA-N 0 1 272.314 3.863 20 0 CHADMN Cc1ccc(CN[C@H](CCO)c2cccs2)c(Cl)c1 ZINC000845939876 1131671728 /nfs/dbraw/zinc/67/17/28/1131671728.db2.gz AHBTVRLEJYIYAK-CQSZACIVSA-N 0 1 295.835 3.923 20 0 CHADMN O[C@H](CN1CC[C@@H]1C1CC1)c1ccc(Cl)cc1Cl ZINC000834382859 1131674143 /nfs/dbraw/zinc/67/41/43/1131674143.db2.gz PEKLYOAKUPLMGN-ZIAGYGMSSA-N 0 1 286.202 3.511 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(Cl)nc2)c(C)cc1O ZINC001140201979 1131676255 /nfs/dbraw/zinc/67/62/55/1131676255.db2.gz IQAVOBXJCAXAGD-UHFFFAOYSA-N 0 1 290.794 3.689 20 0 CHADMN Cc1nnc(SCc2c(Cl)ccc3cccnc32)[nH]1 ZINC000042154867 1131687319 /nfs/dbraw/zinc/68/73/19/1131687319.db2.gz ASNGTDAAQFIACZ-UHFFFAOYSA-N 0 1 290.779 3.607 20 0 CHADMN Cc1n[nH]c(SCc2c(Cl)ccc3cccnc32)n1 ZINC000042154867 1131687322 /nfs/dbraw/zinc/68/73/22/1131687322.db2.gz ASNGTDAAQFIACZ-UHFFFAOYSA-N 0 1 290.779 3.607 20 0 CHADMN C[C@@H]1CCN(Cc2sc(N3CCCCC3)nc2Cl)C1 ZINC001140289596 1131688674 /nfs/dbraw/zinc/68/86/74/1131688674.db2.gz XFKYIESLVNXHNA-LLVKDONJSA-N 0 1 299.871 3.629 20 0 CHADMN Clc1ccc(-c2ncc(CN3CC=CC3)s2)cc1 ZINC001140295872 1131689170 /nfs/dbraw/zinc/68/91/70/1131689170.db2.gz SDIYHZGFXZPPJM-UHFFFAOYSA-N 0 1 276.792 3.835 20 0 CHADMN C[C@@H]1CCN(Cc2ccccc2-c2cccnc2)CCC1=O ZINC001140314934 1131695678 /nfs/dbraw/zinc/69/56/78/1131695678.db2.gz DIHVLOIQPINUKW-OAHLLOKOSA-N 0 1 294.398 3.550 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1cccc(CC)c1 ZINC000846207935 1131695929 /nfs/dbraw/zinc/69/59/29/1131695929.db2.gz CLKPVCOFRIROCI-GFCCVEGCSA-N 0 1 272.392 3.959 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCCC[C@@H](C)C1 ZINC001144745302 1131700229 /nfs/dbraw/zinc/70/02/29/1131700229.db2.gz WFTXQXOIYWCLSY-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN FC[C@H]1CCCN1Cc1cccc(-c2nccs2)c1 ZINC001140338589 1131702116 /nfs/dbraw/zinc/70/21/16/1131702116.db2.gz BNPQOQLERRPIRW-CQSZACIVSA-N 0 1 276.380 3.744 20 0 CHADMN c1nc2cc(CN3CC(c4ccccc4)C3)ccc2s1 ZINC001144743175 1131703017 /nfs/dbraw/zinc/70/30/17/1131703017.db2.gz CIFUMCIDXJKEBI-UHFFFAOYSA-N 0 1 280.396 3.896 20 0 CHADMN C/C(=C/C[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000846252255 1131704070 /nfs/dbraw/zinc/70/40/70/1131704070.db2.gz WMKSKZALZPEDBK-ZJCQAOIJSA-N 0 1 287.403 3.594 20 0 CHADMN Clc1nc(N2CCCC2)sc1CN1CCCCCC1 ZINC001140361011 1131706541 /nfs/dbraw/zinc/70/65/41/1131706541.db2.gz VSXVUFDWQXBWIT-UHFFFAOYSA-N 0 1 299.871 3.773 20 0 CHADMN C[C@H]1CCN(Cc2ccc(-c3ccccn3)cc2)CCC1=O ZINC001140377474 1131709267 /nfs/dbraw/zinc/70/92/67/1131709267.db2.gz YCERTMYRVWUOIV-HNNXBMFYSA-N 0 1 294.398 3.550 20 0 CHADMN c1cc2c(o1)CCN(Cc1ccc(-c3ccccn3)cc1)C2 ZINC001140382323 1131710035 /nfs/dbraw/zinc/71/00/35/1131710035.db2.gz RMOPEYWOKLYOSA-UHFFFAOYSA-N 0 1 290.366 3.900 20 0 CHADMN Fc1cccc(-c2ncc(CN3CC4(CCC4)C3)s2)c1 ZINC001140414076 1131719302 /nfs/dbraw/zinc/71/93/02/1131719302.db2.gz BNFSKQPHWDVXIM-UHFFFAOYSA-N 0 1 288.391 3.935 20 0 CHADMN CC[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1ccc2c(c1)CCO2 ZINC000834895755 1131720253 /nfs/dbraw/zinc/72/02/53/1131720253.db2.gz DUXQHLTUDDWAKO-RCBQFDQVSA-N 0 1 297.402 3.565 20 0 CHADMN CCc1nc(CN[C@H]2C[C@@H](c3ccccc3)C2(C)C)co1 ZINC000834897772 1131722344 /nfs/dbraw/zinc/72/23/44/1131722344.db2.gz IFWJXMFSCLHVAE-HOTGVXAUSA-N 0 1 284.403 3.909 20 0 CHADMN C[C@H](c1ccccc1)N(C)CC1(Br)CC1 ZINC000846764126 1131724940 /nfs/dbraw/zinc/72/49/40/1131724940.db2.gz DPNZNBHELLBIGP-LLVKDONJSA-N 0 1 268.198 3.607 20 0 CHADMN BrC1(C[N@@H+](Cc2cccs2)C2CC2)CC1 ZINC000846765835 1131726876 /nfs/dbraw/zinc/72/68/76/1131726876.db2.gz YJQDGZGLSNITLS-UHFFFAOYSA-N 0 1 286.238 3.640 20 0 CHADMN BrC1(CN(Cc2cccs2)C2CC2)CC1 ZINC000846765835 1131726878 /nfs/dbraw/zinc/72/68/78/1131726878.db2.gz YJQDGZGLSNITLS-UHFFFAOYSA-N 0 1 286.238 3.640 20 0 CHADMN Cc1cc(Cl)cc(Cl)c1O[C@H]1CCCN(C)C1 ZINC001227724827 1131729178 /nfs/dbraw/zinc/72/91/78/1131729178.db2.gz NIERHNDDTWPLDL-NSHDSACASA-N 0 1 274.191 3.775 20 0 CHADMN Clc1ccc2ncc(CN3CCCCC34CC4)n2c1 ZINC001140431567 1131734580 /nfs/dbraw/zinc/73/45/80/1131734580.db2.gz ASAYQOOTNGFVAC-UHFFFAOYSA-N 0 1 275.783 3.506 20 0 CHADMN Cc1ccc(Cl)nc1CN1CCC12CCCC2 ZINC001140442974 1131738556 /nfs/dbraw/zinc/73/85/56/1131738556.db2.gz VSPNOAIGNDAMBO-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN Fc1cccc(F)c1CCCN1CCC(F)(F)CC1 ZINC000846884223 1131754699 /nfs/dbraw/zinc/75/46/99/1131754699.db2.gz ZQAAFQLJANFQME-UHFFFAOYSA-N 0 1 275.289 3.629 20 0 CHADMN Cc1ccccc1C1(NCc2cnc(Cl)c(F)c2)CC1 ZINC000847006449 1131768940 /nfs/dbraw/zinc/76/89/40/1131768940.db2.gz YNPXCRXLCBJTPA-UHFFFAOYSA-N 0 1 290.769 3.961 20 0 CHADMN CCc1csc(CC2CCN(C/C=C/Cl)CC2)n1 ZINC000847034241 1131770404 /nfs/dbraw/zinc/77/04/04/1131770404.db2.gz MVDORUVIRVLZEU-ZZXKWVIFSA-N 0 1 284.856 3.713 20 0 CHADMN COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC001140503839 1131770836 /nfs/dbraw/zinc/77/08/36/1131770836.db2.gz PMZZFRDQWGUILT-CYBMUJFWSA-N 0 1 299.370 3.586 20 0 CHADMN CC[C@H](NCc1ccc2nonc2c1)c1ccccc1F ZINC000847010940 1131770899 /nfs/dbraw/zinc/77/08/99/1131770899.db2.gz XKVLOPTWLNTRCL-AWEZNQCLSA-N 0 1 285.322 3.603 20 0 CHADMN Cc1c(F)cc(CN2CC[C@H](C)C2)cc1Br ZINC001140551671 1131789963 /nfs/dbraw/zinc/78/99/63/1131789963.db2.gz GNIXXRKNHFJDRL-VIFPVBQESA-N 0 1 286.188 3.738 20 0 CHADMN Cc1nc2cccc(C(=O)NCC[C@@H]3CCCC[C@H]3C)c2[nH]1 ZINC001146708636 1131795029 /nfs/dbraw/zinc/79/50/29/1131795029.db2.gz HIAXOTWBWCNXTQ-OCCSQVGLSA-N 0 1 299.418 3.818 20 0 CHADMN CN(Cc1cccs1)Cc1ccc(OC(F)F)c(O)c1 ZINC001140628796 1131834330 /nfs/dbraw/zinc/83/43/30/1131834330.db2.gz XVNKXRXEPHUFOA-UHFFFAOYSA-N 0 1 299.342 3.687 20 0 CHADMN Cc1nc2ccc(O[C@H](c3cccnc3)C3CC3)cc2[nH]1 ZINC001228329583 1131859511 /nfs/dbraw/zinc/85/95/11/1131859511.db2.gz OISLWCDBTDJOSV-KRWDZBQOSA-N 0 1 279.343 3.796 20 0 CHADMN Cc1nc2ccc(O[C@@H](c3cccnc3)C3CC3)cc2[nH]1 ZINC001228329584 1131860365 /nfs/dbraw/zinc/86/03/65/1131860365.db2.gz OISLWCDBTDJOSV-QGZVFWFLSA-N 0 1 279.343 3.796 20 0 CHADMN Cc1ccc([C@H](C)Oc2[nH]c(=O)ncc2Cl)c(C)c1 ZINC001228483194 1131894072 /nfs/dbraw/zinc/89/40/72/1131894072.db2.gz SGGDUWXOTXRKGN-JTQLQIEISA-N 0 1 278.739 3.592 20 0 CHADMN F[C@H]1C[C@@H]2C[C@H]1CN2Cc1c(Cl)ncc2ccccc21 ZINC001140724928 1131895887 /nfs/dbraw/zinc/89/58/87/1131895887.db2.gz UVFYBQPLYCKPOP-HUBLWGQQSA-N 0 1 290.769 3.821 20 0 CHADMN CC[C@@H](C)Sc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000348175388 1131898791 /nfs/dbraw/zinc/89/87/91/1131898791.db2.gz SQASYJFCQPPWOK-GQYWMQPJSA-N 0 1 263.366 3.767 20 0 CHADMN COc1cccc(Cl)c1CN1CCC(C)(C)CC1 ZINC001140729206 1131901211 /nfs/dbraw/zinc/90/12/11/1131901211.db2.gz FVYKVHPNHFEPNY-UHFFFAOYSA-N 0 1 267.800 3.971 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000036827330 1131904713 /nfs/dbraw/zinc/90/47/13/1131904713.db2.gz YTTLDROUPQESDP-CJNGLKHVSA-N 0 1 273.376 3.539 20 0 CHADMN COc1ccc(CN2CCC[C@H](C)C2)c(Br)c1 ZINC001140755461 1131907560 /nfs/dbraw/zinc/90/75/60/1131907560.db2.gz GPVPTTSWXHYPGY-NSHDSACASA-N 0 1 298.224 3.690 20 0 CHADMN Brc1ccnc(CN2CCC3(CCCC3)C2)c1 ZINC001140765740 1131909841 /nfs/dbraw/zinc/90/98/41/1131909841.db2.gz MTQDJDJTIXJAOS-UHFFFAOYSA-N 0 1 295.224 3.610 20 0 CHADMN Cc1nc2c(s1)CN(Cc1coc3ccccc13)CC2 ZINC001140786664 1131917906 /nfs/dbraw/zinc/91/79/06/1131917906.db2.gz KXKNGTCTAOOMDL-UHFFFAOYSA-N 0 1 284.384 3.756 20 0 CHADMN FC1(F)CN(Cc2c[nH]c3ccncc23)Cc2ccccc21 ZINC001140802548 1131927226 /nfs/dbraw/zinc/92/72/26/1131927226.db2.gz YPGCYSZEPLYJRR-UHFFFAOYSA-N 0 1 299.324 3.671 20 0 CHADMN Clc1ccc2c(c1)CN(Cc1c[nH]c3ccncc13)C2 ZINC001140804925 1131927729 /nfs/dbraw/zinc/92/77/29/1131927729.db2.gz KOEBSEFDGKZIGR-UHFFFAOYSA-N 0 1 283.762 3.732 20 0 CHADMN CN(Cc1c[nH]c2ccncc12)[C@@H](C1CCC1)C(F)(F)F ZINC001140804881 1131928988 /nfs/dbraw/zinc/92/89/88/1131928988.db2.gz JDQFAUNYHGDRPI-AWEZNQCLSA-N 0 1 297.324 3.726 20 0 CHADMN C[C@@H](Oc1ccc2[nH]nnc2c1)c1cccc(Cl)c1 ZINC001228662648 1131930029 /nfs/dbraw/zinc/93/00/29/1131930029.db2.gz JJPFBUVVWDDBFQ-SECBINFHSA-N 0 1 273.723 3.751 20 0 CHADMN COc1ccc(CN2CCCCC23CC3)c(Cl)c1 ZINC001140822472 1131935413 /nfs/dbraw/zinc/93/54/13/1131935413.db2.gz SEPIOAYQLPRASI-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN Cc1cc(CN2CCC(c3cccc(Cl)c3)CC2)[nH]n1 ZINC001203069684 1131938816 /nfs/dbraw/zinc/93/88/16/1131938816.db2.gz AUTDRGQLCGEGHO-UHFFFAOYSA-N 0 1 289.810 3.751 20 0 CHADMN CC[C@H](NCc1cccc(F)n1)c1ccc(C)cc1 ZINC000773087319 1131940770 /nfs/dbraw/zinc/94/07/70/1131940770.db2.gz KESKNHVWDLHUHD-HNNXBMFYSA-N 0 1 258.340 3.770 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1cccc(F)n1 ZINC000773086503 1131941572 /nfs/dbraw/zinc/94/15/72/1131941572.db2.gz JSFLXUXJPJHSQD-DIFFPNOSSA-N 0 1 288.341 3.773 20 0 CHADMN C[C@@H](NCc1cccc(F)n1)c1cccc(OC(F)F)c1 ZINC000773087445 1131941589 /nfs/dbraw/zinc/94/15/89/1131941589.db2.gz MHVAAFTZDCEWEX-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN CCCOc1ccc([C@H](C)NCc2cccc(F)n2)cc1 ZINC000773091293 1131942434 /nfs/dbraw/zinc/94/24/34/1131942434.db2.gz VLKJGNIECAWAML-ZDUSSCGKSA-N 0 1 288.366 3.860 20 0 CHADMN CC[C@H](C)N1CCN(C(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC001140843941 1131943423 /nfs/dbraw/zinc/94/34/23/1131943423.db2.gz BRGLGGBCAQJPBF-JKSUJKDBSA-N 0 1 294.483 3.536 20 0 CHADMN CC1(C)C[C@@H](NCc2cccc(F)n2)c2ccccc21 ZINC000773090552 1131945164 /nfs/dbraw/zinc/94/51/64/1131945164.db2.gz UXKPLFXCRKUCRR-OAHLLOKOSA-N 0 1 270.351 3.733 20 0 CHADMN Cc1c[nH]c(CN2CCN(c3cc(C)ccc3C)CC2)c1C ZINC001140856963 1131949187 /nfs/dbraw/zinc/94/91/87/1131949187.db2.gz QJOMQZRASCEBRN-UHFFFAOYSA-N 0 1 297.446 3.571 20 0 CHADMN Cc1c[nH]c(C[N@H+]2CCc3ccccc3[C@@H]2C)c1C ZINC001140858867 1131949419 /nfs/dbraw/zinc/94/94/19/1131949419.db2.gz PWMCSONVZUYUHT-AWEZNQCLSA-N 0 1 254.377 3.751 20 0 CHADMN Cc1c[nH]c(CN2CCN(c3ccc(C)c(C)c3)CC2)c1C ZINC001140855679 1131949705 /nfs/dbraw/zinc/94/97/05/1131949705.db2.gz AGJXEUFZSYKPTK-UHFFFAOYSA-N 0 1 297.446 3.571 20 0 CHADMN Cc1c[nH]c(CN(C)Cc2cccc(Cl)c2)c1C ZINC001140860354 1131950927 /nfs/dbraw/zinc/95/09/27/1131950927.db2.gz QPKAOWOHUBVQKC-UHFFFAOYSA-N 0 1 262.784 3.917 20 0 CHADMN Cc1cccc(CNc2ccc3nc[nH]c3c2)c1F ZINC000149845447 1131954579 /nfs/dbraw/zinc/95/45/79/1131954579.db2.gz PXKBIZMXVAHFEG-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2c(N)cccc2F)cc1 ZINC001140875745 1131954657 /nfs/dbraw/zinc/95/46/57/1131954657.db2.gz XJERFWISENNYME-GFCCVEGCSA-N 0 1 288.366 3.610 20 0 CHADMN C[C@@H]1CCCN1Cc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001140878153 1131955936 /nfs/dbraw/zinc/95/59/36/1131955936.db2.gz PHTPQEOCSQOUSW-MRVPVSSYSA-N 0 1 279.252 3.968 20 0 CHADMN CCC[N@@H+](Cc1ccc([O-])c(F)c1F)[C@H](C)CC ZINC001140889882 1131958603 /nfs/dbraw/zinc/95/86/03/1131958603.db2.gz OQASHOLETSHQAB-SNVBAGLBSA-N 0 1 257.324 3.681 20 0 CHADMN Fc1cc(CN2CCC[C@@H]3C[C@@H]32)ccc1OC(F)(F)F ZINC001140889003 1131960221 /nfs/dbraw/zinc/96/02/21/1131960221.db2.gz YHFKXXCYQNXSFZ-PWSUYJOCSA-N 0 1 289.272 3.709 20 0 CHADMN Cc1cc(CN(C)Cc2cccc3ccccc32)[nH]n1 ZINC001203076090 1131961036 /nfs/dbraw/zinc/96/10/36/1131961036.db2.gz WDHOOMCPYHRTQD-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN Cc1cc(CN(C)Cc2cccc3ccccc32)n[nH]1 ZINC001203076090 1131961043 /nfs/dbraw/zinc/96/10/43/1131961043.db2.gz WDHOOMCPYHRTQD-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN FC(F)(F)c1ccncc1CN1CCC2(CCCC2)C1 ZINC001140917134 1131962748 /nfs/dbraw/zinc/96/27/48/1131962748.db2.gz AUXFVOFHNQGTNX-UHFFFAOYSA-N 0 1 284.325 3.867 20 0 CHADMN FC(F)(F)c1ccncc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001140919142 1131963963 /nfs/dbraw/zinc/96/39/63/1131963963.db2.gz JXGWCZOELFVPNG-FZMZJTMJSA-N 0 1 284.325 3.865 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccc(C)c(C)c1 ZINC001140949283 1131969437 /nfs/dbraw/zinc/96/94/37/1131969437.db2.gz XACIHNGFOWHEFJ-UHFFFAOYSA-N 0 1 287.359 3.617 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccc(Cl)cc2)n[nH]1 ZINC001203081890 1131976276 /nfs/dbraw/zinc/97/62/76/1131976276.db2.gz JJOHYASIUNDHOX-LLVKDONJSA-N 0 1 263.772 3.565 20 0 CHADMN CC(C)c1ccc(-c2noc([C@H]3CCCCN3)n2)cc1 ZINC000036819511 1131978028 /nfs/dbraw/zinc/97/80/28/1131978028.db2.gz JXYGKOZSQVNHFE-CQSZACIVSA-N 0 1 271.364 3.675 20 0 CHADMN CC(C)N(Cc1c[nH]nc1C(F)(F)F)Cc1ccccc1 ZINC001141012026 1131985035 /nfs/dbraw/zinc/98/50/35/1131985035.db2.gz GPVDDBOOKQFMKP-UHFFFAOYSA-N 0 1 297.324 3.839 20 0 CHADMN CC[C@H](Oc1nnc2c[nH]ccc1-2)c1cccc(F)c1C ZINC001228990187 1131993593 /nfs/dbraw/zinc/99/35/93/1131993593.db2.gz MQQMLWQFEWZYSA-HNNXBMFYSA-N 0 1 285.322 3.936 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccns2)s1 ZINC000715911686 1131993840 /nfs/dbraw/zinc/99/38/40/1131993840.db2.gz SVODNCKUKAVTGY-SECBINFHSA-N 0 1 252.408 3.618 20 0 CHADMN CN(Cc1ccn2ccnc2c1)Cc1cccc(Cl)c1 ZINC001141044465 1131994792 /nfs/dbraw/zinc/99/47/92/1131994792.db2.gz KWPXLESWRLGKNL-UHFFFAOYSA-N 0 1 285.778 3.620 20 0 CHADMN CCC[C@H](C)[C@H](Oc1nnc2c[nH]ccc1-2)C(C)C ZINC001228995023 1131995300 /nfs/dbraw/zinc/99/53/00/1131995300.db2.gz KZMDRTDBZLYFSY-SMDDNHRTSA-N 0 1 261.369 3.798 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccns1)CC2 ZINC000715951604 1131998279 /nfs/dbraw/zinc/99/82/79/1131998279.db2.gz FCQDZFXPEKQURF-FZMZJTMJSA-N 0 1 258.390 3.790 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccns1)c1cccc(F)c1 ZINC000715969627 1132000457 /nfs/dbraw/zinc/00/04/57/1132000457.db2.gz YCLJZEPRMKBEPY-ZJUUUORDSA-N 0 1 250.342 3.694 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccns2)cc1Cl ZINC000716033283 1132001921 /nfs/dbraw/zinc/00/19/21/1132001921.db2.gz JPLFUCODTMDHEA-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN CCCCc1ncc(CN2CCCC[C@@H]2C(F)(F)F)[nH]1 ZINC001141069730 1132003620 /nfs/dbraw/zinc/00/36/20/1132003620.db2.gz BANONDQGSXHESE-GFCCVEGCSA-N 0 1 289.345 3.669 20 0 CHADMN CCCN(Cc1ncc(Cl)nc1Cl)[C@@H](C)CC ZINC001141131340 1132024548 /nfs/dbraw/zinc/02/45/48/1132024548.db2.gz DNKLHLCULWVWQF-VIFPVBQESA-N 0 1 276.211 3.794 20 0 CHADMN COc1cc(OCc2ccccc2)ccc1C[N@@H+](C)C1CC1 ZINC001141078871 1132006974 /nfs/dbraw/zinc/00/69/74/1132006974.db2.gz MELAKSTXFXVIDE-UHFFFAOYSA-N 0 1 297.398 3.868 20 0 CHADMN COc1cc(OCc2ccccc2)ccc1CN(C)C1CC1 ZINC001141078871 1132006978 /nfs/dbraw/zinc/00/69/78/1132006978.db2.gz MELAKSTXFXVIDE-UHFFFAOYSA-N 0 1 297.398 3.868 20 0 CHADMN Cc1ccc2cc(CN[C@@H](C)c3ccns3)ccc2n1 ZINC000715990178 1132007015 /nfs/dbraw/zinc/00/70/15/1132007015.db2.gz INRPJSRRXQGVGM-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN CC(C)=CCC[C@@H](C)NC(=O)c1[nH]nc2c1CCCCC2 ZINC001141085486 1132008548 /nfs/dbraw/zinc/00/85/48/1132008548.db2.gz AIJTXJXFRZIACM-CYBMUJFWSA-N 0 1 289.423 3.543 20 0 CHADMN F[C@H]1CCN(Cc2ccccc2-c2cccs2)C1 ZINC001141093779 1132014275 /nfs/dbraw/zinc/01/42/75/1132014275.db2.gz NLQKTSOQLOBKTH-ZDUSSCGKSA-N 0 1 261.365 3.959 20 0 CHADMN Cc1cnc(CNCCc2ccc(Cl)c(Cl)c2)o1 ZINC000716247566 1132021567 /nfs/dbraw/zinc/02/15/67/1132021567.db2.gz MMWIAOAYUDRLPA-UHFFFAOYSA-N 0 1 285.174 3.622 20 0 CHADMN CC1(C)CCC[C@H]1[C@H]1CCN(Cc2ccc(Cl)nn2)C1 ZINC001171459275 1132034527 /nfs/dbraw/zinc/03/45/27/1132034527.db2.gz SPLFSVVZBUEFPG-JSGCOSHPSA-N 0 1 293.842 3.778 20 0 CHADMN c1nc2ccc(NCC3(c4ccccc4)CC3)cc2[nH]1 ZINC001171464655 1132036140 /nfs/dbraw/zinc/03/61/40/1132036140.db2.gz ABBQEMFQUMMKBZ-UHFFFAOYSA-N 0 1 263.344 3.707 20 0 CHADMN COc1ccc(C[N@@H+](C)Cc2ccc(C)cc2F)cc1 ZINC001141193396 1132040515 /nfs/dbraw/zinc/04/05/15/1132040515.db2.gz XARVTPRSPXZWCZ-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C)cc2F)cc1 ZINC001141193396 1132040521 /nfs/dbraw/zinc/04/05/21/1132040521.db2.gz XARVTPRSPXZWCZ-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN C[C@@H]1CCN([C@@H]2CCc3cc(F)c(F)cc3C2)C[C@H]1F ZINC001171476684 1132041939 /nfs/dbraw/zinc/04/19/39/1132041939.db2.gz OFIURJHMCKEIFS-CKUKBARFSA-N 0 1 283.337 3.502 20 0 CHADMN Cc1cc(CN2CCC(C)(F)CC2)ccc1Cl ZINC001141234407 1132053465 /nfs/dbraw/zinc/05/34/65/1132053465.db2.gz MGRIOAMGLNNDTK-UHFFFAOYSA-N 0 1 255.764 3.972 20 0 CHADMN Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](OC(C)C)C1 ZINC001141233096 1132055189 /nfs/dbraw/zinc/05/51/89/1132055189.db2.gz LLJPDVMJTLGDPX-HNNXBMFYSA-N 0 1 267.800 3.648 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)ccc1Cl ZINC001141233338 1132055415 /nfs/dbraw/zinc/05/54/15/1132055415.db2.gz QNXALKPYDQKGAQ-GDBMZVCRSA-N 0 1 279.811 3.649 20 0 CHADMN Cc1cc(CN2CC[C@H]3CCCO[C@@H]3C2)ccc1Cl ZINC001141233338 1132055423 /nfs/dbraw/zinc/05/54/23/1132055423.db2.gz QNXALKPYDQKGAQ-GDBMZVCRSA-N 0 1 279.811 3.649 20 0 CHADMN Cc1ccc(CC[C@H](C)N2CCC(F)(F)[C@H](F)C2)cc1 ZINC001171671135 1132073900 /nfs/dbraw/zinc/07/39/00/1132073900.db2.gz OYOZFHQVQSHEEU-DZGCQCFKSA-N 0 1 285.353 3.995 20 0 CHADMN CC[N@H+]1CCC[C@@H](Oc2cc(C)cc(C)c2Cl)C1 ZINC001229523874 1132081368 /nfs/dbraw/zinc/08/13/68/1132081368.db2.gz QZLAVYVNJRKAOP-CYBMUJFWSA-N 0 1 267.800 3.820 20 0 CHADMN CCN1CCC[C@@H](Oc2cc(C)cc(C)c2Cl)C1 ZINC001229523874 1132081375 /nfs/dbraw/zinc/08/13/75/1132081375.db2.gz QZLAVYVNJRKAOP-CYBMUJFWSA-N 0 1 267.800 3.820 20 0 CHADMN CCC[C@H]1CCCCN1Cc1cnc(Cl)cc1OC ZINC001141341281 1132093244 /nfs/dbraw/zinc/09/32/44/1132093244.db2.gz VTAOPSMZVCUNMH-ZDUSSCGKSA-N 0 1 282.815 3.898 20 0 CHADMN CCCCCc1cc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)n[nH]1 ZINC001141344327 1132094877 /nfs/dbraw/zinc/09/48/77/1132094877.db2.gz VHUYVAXRVUBGGU-HIFRSBDPSA-N 0 1 291.439 3.793 20 0 CHADMN CC[C@H]1CN(Cc2ccc(F)cc2C)[C@@H](CC)CO1 ZINC001171779106 1132097999 /nfs/dbraw/zinc/09/79/99/1132097999.db2.gz SBGSAZAAGIEKJR-HOTGVXAUSA-N 0 1 265.372 3.524 20 0 CHADMN CN(Cc1cccc(F)c1F)[C@H]1Cc2cccc(F)c2C1 ZINC001171811494 1132105444 /nfs/dbraw/zinc/10/54/44/1132105444.db2.gz YQJGHKMYIBWGNF-ZDUSSCGKSA-N 0 1 291.316 3.703 20 0 CHADMN CCCCC[C@H](C)CC(=O)NCc1ccc2cncn2c1 ZINC000837859407 1132105646 /nfs/dbraw/zinc/10/56/46/1132105646.db2.gz OSSBWJSENAZVEI-AWEZNQCLSA-N 0 1 287.407 3.557 20 0 CHADMN COc1ccc2nc(O[C@H](C)c3cccc(F)c3)[nH]c2c1 ZINC001229730025 1132111135 /nfs/dbraw/zinc/11/11/35/1132111135.db2.gz OPPBWDBUDWKDIN-SNVBAGLBSA-N 0 1 286.306 3.851 20 0 CHADMN Cc1nc(C(F)(F)F)ccc1CN1CC2(C1)CCCC2 ZINC001141424132 1132121865 /nfs/dbraw/zinc/12/18/65/1132121865.db2.gz WNDRWHGWPZHECF-UHFFFAOYSA-N 0 1 284.325 3.785 20 0 CHADMN O=c1[nH]cnc(O[C@H]2Cc3cccc4cccc2c34)c1Cl ZINC001230011956 1132144337 /nfs/dbraw/zinc/14/43/37/1132144337.db2.gz BIMOLDQJNVAZHA-LBPRGKRZSA-N 0 1 298.729 3.665 20 0 CHADMN CCCC[C@H](CCC)Oc1nc[nH]c(=O)c1Cl ZINC001230018091 1132145350 /nfs/dbraw/zinc/14/53/50/1132145350.db2.gz MRLZYSMBRYSGBP-VIFPVBQESA-N 0 1 258.749 3.573 20 0 CHADMN CC1(C)C[C@@H](NCc2c(F)cccc2C(F)(F)F)CO1 ZINC001172274798 1132149581 /nfs/dbraw/zinc/14/95/81/1132149581.db2.gz BVMWJBMNLFWDJO-SECBINFHSA-N 0 1 291.288 3.502 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc3c(n2)CCC3)s1 ZINC000838912827 1132157021 /nfs/dbraw/zinc/15/70/21/1132157021.db2.gz QLPLORSQGZFLIG-GFCCVEGCSA-N 0 1 272.417 3.791 20 0 CHADMN CC1(C)C[C@@H](N2CCC[C@H]2c2cc(F)ccc2F)CO1 ZINC001172286921 1132163767 /nfs/dbraw/zinc/16/37/67/1132163767.db2.gz NWELWOSHOANGTP-DOMZBBRYSA-N 0 1 281.346 3.669 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)[C@@H]1COC(C)(C)C1 ZINC001172294154 1132166269 /nfs/dbraw/zinc/16/62/69/1132166269.db2.gz VNSREERTQGLBHF-NEPJUHHUSA-N 0 1 267.800 3.900 20 0 CHADMN C[C@@H]1CC[C@@H](N2CCc3nc(Cl)ccc3C2)C[C@@H]1C ZINC001172374421 1132168631 /nfs/dbraw/zinc/16/86/31/1132168631.db2.gz QKXKRHYCOPTWNC-MBNYWOFBSA-N 0 1 278.827 3.918 20 0 CHADMN CC[C@@H](C)OCC[C@H](C)N1CCO[C@@H](c2ccccc2)C1 ZINC001172349837 1132182116 /nfs/dbraw/zinc/18/21/16/1132182116.db2.gz WVEMYHKVLLLMKT-LZLYRXPVSA-N 0 1 291.435 3.654 20 0 CHADMN C[C@@H]1CN(Cc2c[nH]c3cc(Cl)ccc23)CCCC1=O ZINC001141577840 1132186631 /nfs/dbraw/zinc/18/66/31/1132186631.db2.gz VCKPTLREQDTTSO-LLVKDONJSA-N 0 1 290.794 3.622 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1ccc2c(c1)COC2 ZINC000839162777 1132186776 /nfs/dbraw/zinc/18/67/76/1132186776.db2.gz FVRUYGXJRRMWMB-AWEZNQCLSA-N 0 1 297.398 3.885 20 0 CHADMN CN(Cc1c[nH]c2cc(Cl)ccc12)Cc1cccnc1 ZINC001141577478 1132187362 /nfs/dbraw/zinc/18/73/62/1132187362.db2.gz GTMOFCVQSPVPHW-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CC(C)(C)N1CC(Oc2ccc3cc(Cl)cnc3c2)C1 ZINC001230580617 1132195923 /nfs/dbraw/zinc/19/59/23/1132195923.db2.gz QCDKVJYOXUFANZ-UHFFFAOYSA-N 0 1 290.794 3.750 20 0 CHADMN CCCCCC[C@H](CCC)N1CCn2cncc2C1 ZINC001172387907 1132213552 /nfs/dbraw/zinc/21/35/52/1132213552.db2.gz VMDLNSSMRAQPFZ-HNNXBMFYSA-N 0 1 263.429 3.838 20 0 CHADMN Cc1ccc2c(c1)nc(=O)[nH]c2O[C@H](C)c1cccc(F)c1 ZINC001230889228 1132223939 /nfs/dbraw/zinc/22/39/39/1132223939.db2.gz SSLSJPNZCXVQBK-LLVKDONJSA-N 0 1 298.317 3.923 20 0 CHADMN CC(C)COCC[C@@H](C)N1CCOC[C@@H]1c1ccccc1 ZINC001172475050 1132225644 /nfs/dbraw/zinc/22/56/44/1132225644.db2.gz ZUXZYUVVQRNSHA-SJLPKXTDSA-N 0 1 291.435 3.511 20 0 CHADMN COc1cccc([C@@H](C)Oc2cc3[nH]ncc3c(F)c2)c1 ZINC001230931937 1132230632 /nfs/dbraw/zinc/23/06/32/1132230632.db2.gz SPAVGOWPWVACKN-SNVBAGLBSA-N 0 1 286.306 3.851 20 0 CHADMN O=C1CC[C@@H](Oc2cc3[nH]ncc3c(F)c2)c2ccccc21 ZINC001230930247 1132230752 /nfs/dbraw/zinc/23/07/52/1132230752.db2.gz AAWMNHDEABRPAS-QGZVFWFLSA-N 0 1 296.301 3.799 20 0 CHADMN CC(C)OCC[C@H](C)N(C)Cc1nc2ccccc2s1 ZINC001172444007 1132236018 /nfs/dbraw/zinc/23/60/18/1132236018.db2.gz QXZKIGLIIZBGPQ-ZDUSSCGKSA-N 0 1 292.448 3.932 20 0 CHADMN CC(C)COCC[C@H](C)NCc1c(F)ccc(F)c1F ZINC001172458461 1132240458 /nfs/dbraw/zinc/24/04/58/1132240458.db2.gz ZATOEWYPBLGUSE-NSHDSACASA-N 0 1 289.341 3.645 20 0 CHADMN Cc1cccc(F)c1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001231034269 1132245257 /nfs/dbraw/zinc/24/52/57/1132245257.db2.gz KNAOXRKJUAQMSW-MRXNPFEDSA-N 0 1 285.362 3.787 20 0 CHADMN Cc1coc(CN[C@@H]2CCC[C@@H](c3ccccc3)C2)n1 ZINC001172530292 1132245634 /nfs/dbraw/zinc/24/56/34/1132245634.db2.gz BKDUUIFFGDRIKS-HZPDHXFCSA-N 0 1 270.376 3.799 20 0 CHADMN Cc1coc(CN[C@H]2CCC[C@@H](c3ccccc3)C2)n1 ZINC001172530291 1132246162 /nfs/dbraw/zinc/24/61/62/1132246162.db2.gz BKDUUIFFGDRIKS-CVEARBPZSA-N 0 1 270.376 3.799 20 0 CHADMN Cc1c(Cl)cnn1CN(C)[C@@H](C)Cc1cccc(F)c1 ZINC000840165108 1132246869 /nfs/dbraw/zinc/24/68/69/1132246869.db2.gz BEGOSPQILCZIHI-NSHDSACASA-N 0 1 295.789 3.505 20 0 CHADMN CCCCN(Cn1ccsc1=O)[C@H]1CCC[C@@H](C)C1 ZINC000840091459 1132247941 /nfs/dbraw/zinc/24/79/41/1132247941.db2.gz XCCMCKUKFHFDQG-KGLIPLIRSA-N 0 1 282.453 3.548 20 0 CHADMN CCCN(C)Cc1cc(Br)cc(F)c1F ZINC001141795877 1132248706 /nfs/dbraw/zinc/24/87/06/1132248706.db2.gz RJJLGCSGTZNKQU-UHFFFAOYSA-N 0 1 278.140 3.569 20 0 CHADMN Cc1nc([C@H](C)S[C@@H](C)c2cccs2)n[nH]1 ZINC000840196375 1132249769 /nfs/dbraw/zinc/24/97/69/1132249769.db2.gz KXJHXLWTTMFYCE-YUMQZZPRSA-N 0 1 253.396 3.730 20 0 CHADMN CC[C@H](C(=O)Nc1ccc(-c2ccccc2)cc1C)N(C)C ZINC000840260340 1132254814 /nfs/dbraw/zinc/25/48/14/1132254814.db2.gz GXNDIONGGOPVSU-GOSISDBHSA-N 0 1 296.414 3.941 20 0 CHADMN CCCCC[C@@](C)(CC)C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840473856 1132262624 /nfs/dbraw/zinc/26/26/24/1132262624.db2.gz BHXVHZMBLWKGKW-XHDPSFHLSA-N 0 1 281.400 3.714 20 0 CHADMN Cc1nc[nH]c1-c1nc(-c2ccc3sccc3c2)no1 ZINC001212668721 1132265359 /nfs/dbraw/zinc/26/53/59/1132265359.db2.gz MTQJZBATUZXDIQ-UHFFFAOYSA-N 0 1 282.328 3.650 20 0 CHADMN COC[C@H](N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1ccco1 ZINC000840726466 1132278514 /nfs/dbraw/zinc/27/85/14/1132278514.db2.gz YZYRYGSAXJOPNP-CFVMTHIKSA-N 0 1 295.423 3.539 20 0 CHADMN Cn1ncc2c1CN([C@H]1CCC[C@@H](c3ccccc3)C1)CC2 ZINC001172548190 1132281336 /nfs/dbraw/zinc/28/13/36/1132281336.db2.gz BCBNQGKOZYJAPA-AEFFLSMTSA-N 0 1 295.430 3.505 20 0 CHADMN CCC1(c2ccccc2)CN(C[C@@H](O)c2cccc(F)c2)C1 ZINC000840770847 1132285058 /nfs/dbraw/zinc/28/50/58/1132285058.db2.gz WWXICCZLQFOKKM-GOSISDBHSA-N 0 1 299.389 3.523 20 0 CHADMN Cc1nc(C)c(CN(C)Cc2cccc3cccnc32)s1 ZINC001206171345 1132287029 /nfs/dbraw/zinc/28/70/29/1132287029.db2.gz JDAYYCXEBQVOHI-UHFFFAOYSA-N 0 1 297.427 3.940 20 0 CHADMN Cc1ccc(CN2CCC3(C[C@@H](F)CO3)CC2)cc1Cl ZINC001231424148 1132291791 /nfs/dbraw/zinc/29/17/91/1132291791.db2.gz QGEUXXSSPNPNPL-CQSZACIVSA-N 0 1 297.801 3.741 20 0 CHADMN CC[C@H](C)[C@H](NC)c1nc(-c2ccc(F)cc2Cl)no1 ZINC001248930633 1132292225 /nfs/dbraw/zinc/29/22/25/1132292225.db2.gz QSTUJNIXNQOYMK-UFBFGSQYSA-N 0 1 297.761 3.836 20 0 CHADMN Cc1n[nH]cc1-c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC001212677505 1132292992 /nfs/dbraw/zinc/29/29/92/1132292992.db2.gz AMWFZNPKMDGWOH-UHFFFAOYSA-N 0 1 295.129 3.742 20 0 CHADMN CN(C)c1ccc2cc(CN3CCC[C@H](F)C3)ccc2c1 ZINC001231442224 1132293853 /nfs/dbraw/zinc/29/38/53/1132293853.db2.gz YEGQGCSWQMRMFM-KRWDZBQOSA-N 0 1 286.394 3.840 20 0 CHADMN F[C@@H]1CCCCN([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172718714 1132295567 /nfs/dbraw/zinc/29/55/67/1132295567.db2.gz KDCISJCNDPZYNM-HUUCEWRRSA-N 0 1 267.775 3.631 20 0 CHADMN Cc1cnc2c(c1)CN([C@@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC001172723679 1132297689 /nfs/dbraw/zinc/29/76/89/1132297689.db2.gz HZQDDHKNPJYSAE-QGZVFWFLSA-N 0 1 298.817 3.569 20 0 CHADMN CC1(C)CN([C@H]2Cc3ccc(Cl)cc3C2)CC(C)(C)O1 ZINC001172724855 1132299667 /nfs/dbraw/zinc/29/96/67/1132299667.db2.gz PSRQYQKFQFLLRG-HNNXBMFYSA-N 0 1 293.838 3.697 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1cnn(-c2ccccc2)c1 ZINC000840876167 1132300263 /nfs/dbraw/zinc/30/02/63/1132300263.db2.gz NCQYIYAYWSUCAW-IAOVAPTHSA-N 0 1 287.382 3.804 20 0 CHADMN CSc1ccc(CN2CC[C@H](C(F)(F)F)C2)s1 ZINC001142027610 1132300857 /nfs/dbraw/zinc/30/08/57/1132300857.db2.gz BYVPTXDQZPKPRB-QMMMGPOBSA-N 0 1 281.368 3.854 20 0 CHADMN c1cn(C2CC2)c(NCc2cnc(-c3ccccc3)s2)n1 ZINC000840887606 1132301614 /nfs/dbraw/zinc/30/16/14/1132301614.db2.gz POMPLCJCTIZNEK-UHFFFAOYSA-N 0 1 296.399 3.954 20 0 CHADMN Cc1c(C)c(C)c(CN(C)Cc2ccncn2)c(C)c1C ZINC001231494930 1132306118 /nfs/dbraw/zinc/30/61/18/1132306118.db2.gz UMYBKCQWJCIULF-UHFFFAOYSA-N 0 1 283.419 3.651 20 0 CHADMN Cc1ccc(CN2CCC(C3CCCCC3)CC2)nn1 ZINC000840911117 1132306932 /nfs/dbraw/zinc/30/69/32/1132306932.db2.gz PJXYJTYOADHHOT-UHFFFAOYSA-N 0 1 273.424 3.577 20 0 CHADMN CCc1ccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)s1 ZINC001231499946 1132307061 /nfs/dbraw/zinc/30/70/61/1132307061.db2.gz ORHQJIRSIYFOTG-LBPRGKRZSA-N 0 1 277.355 3.880 20 0 CHADMN OC[C@H]1C[C@@H](F)CN(Cc2cccc(-c3ccccc3)c2)C1 ZINC001231508763 1132308052 /nfs/dbraw/zinc/30/80/52/1132308052.db2.gz OTBYMUHUKXDSJK-QFBILLFUSA-N 0 1 299.389 3.506 20 0 CHADMN CC(C)OC(=O)CC[C@@H](C)N[C@@H](C)c1c(F)cccc1F ZINC001172758962 1132309860 /nfs/dbraw/zinc/30/98/60/1132309860.db2.gz IVUKEVLTTKXNDL-NEPJUHHUSA-N 0 1 299.361 3.736 20 0 CHADMN Clc1ccccc1CN1CC[C@H](OCC2CCC2)C1 ZINC001206175500 1132312162 /nfs/dbraw/zinc/31/21/62/1132312162.db2.gz CWSVOWVYXXBOCC-HNNXBMFYSA-N 0 1 279.811 3.731 20 0 CHADMN CC(C)Oc1ccc(CN2Cc3ccccc3[C@@H](C)C2)cn1 ZINC001231532525 1132313282 /nfs/dbraw/zinc/31/32/82/1132313282.db2.gz WJPYMIGYIYQMNE-HNNXBMFYSA-N 0 1 296.414 3.988 20 0 CHADMN C[N@@H+](Cc1ccc([O-])c(C(F)(F)F)c1)CC1CCC1 ZINC001231522507 1132314016 /nfs/dbraw/zinc/31/40/16/1132314016.db2.gz HIXABZDZVYAPKD-UHFFFAOYSA-N 0 1 273.298 3.643 20 0 CHADMN C[N@H+](Cc1ccc([O-])c(C(F)(F)F)c1)CC1CCC1 ZINC001231522507 1132314021 /nfs/dbraw/zinc/31/40/21/1132314021.db2.gz HIXABZDZVYAPKD-UHFFFAOYSA-N 0 1 273.298 3.643 20 0 CHADMN Cc1nc2cc(Nc3cccc(-c4nnco4)c3)ccc2[nH]1 ZINC001213074287 1132315672 /nfs/dbraw/zinc/31/56/72/1132315672.db2.gz NMCKMEBLBFAMLT-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Fc1cnc(CNC2CCC(Cc3ccccc3)CC2)nc1 ZINC001172816286 1132316560 /nfs/dbraw/zinc/31/65/60/1132316560.db2.gz GGCBAVRQNUFQKZ-UHFFFAOYSA-N 0 1 299.393 3.507 20 0 CHADMN CCN(Cc1cc(Br)c[nH]1)Cc1cccs1 ZINC001231580009 1132319241 /nfs/dbraw/zinc/31/92/41/1132319241.db2.gz OUFNKGHBMTWZLP-UHFFFAOYSA-N 0 1 299.237 3.861 20 0 CHADMN Brc1c[nH]c(CN2CCCCCCCC2)c1 ZINC001231580860 1132319756 /nfs/dbraw/zinc/31/97/56/1132319756.db2.gz UTNYJFCHOQEPSV-UHFFFAOYSA-N 0 1 285.229 3.933 20 0 CHADMN c1ncn2c1CN(C1CCC(Cc3ccccc3)CC1)CC2 ZINC001172824672 1132321311 /nfs/dbraw/zinc/32/13/11/1132321311.db2.gz FYFNRFFAYHVDLD-UHFFFAOYSA-N 0 1 295.430 3.500 20 0 CHADMN Cc1sc2ccccc2c1CN1CCOC(C)(C)C1 ZINC001231645652 1132333572 /nfs/dbraw/zinc/33/35/72/1132333572.db2.gz YHKDNWCKJXHZIK-UHFFFAOYSA-N 0 1 275.417 3.821 20 0 CHADMN Cc1sc2ccccc2c1C[N@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001231644981 1132333598 /nfs/dbraw/zinc/33/35/98/1132333598.db2.gz OVPBUPGXOWQBQN-JKSUJKDBSA-N 0 1 293.407 3.505 20 0 CHADMN Cc1sc2ccccc2c1CN1CC[C@@](C)(O)[C@@H](F)C1 ZINC001231644981 1132333604 /nfs/dbraw/zinc/33/36/04/1132333604.db2.gz OVPBUPGXOWQBQN-JKSUJKDBSA-N 0 1 293.407 3.505 20 0 CHADMN C[C@@H](Cc1c(F)cccc1Cl)N1CCCO[C@H](C)C1 ZINC001172846684 1132336368 /nfs/dbraw/zinc/33/63/68/1132336368.db2.gz HFYCSHVRWWLHTI-NWDGAFQWSA-N 0 1 285.790 3.521 20 0 CHADMN CCOc1ccc(CN2CCc3ccccc3[C@H]2CC)cn1 ZINC001231655647 1132336881 /nfs/dbraw/zinc/33/68/81/1132336881.db2.gz FTMBSRSETPLUFT-GOSISDBHSA-N 0 1 296.414 3.990 20 0 CHADMN CCOc1ccc(CN2CCc3ccccc3[C@@H]2CC)cn1 ZINC001231655648 1132337296 /nfs/dbraw/zinc/33/72/96/1132337296.db2.gz FTMBSRSETPLUFT-SFHVURJKSA-N 0 1 296.414 3.990 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)N1CC2(C1)CCOCC2 ZINC001172854752 1132342348 /nfs/dbraw/zinc/34/23/48/1132342348.db2.gz XSTQNCDSWSIQQH-GFCCVEGCSA-N 0 1 297.801 3.523 20 0 CHADMN FC[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC001231684486 1132344528 /nfs/dbraw/zinc/34/45/28/1132344528.db2.gz UDDWKSHPBJDHQV-ZDUSSCGKSA-N 0 1 290.407 3.992 20 0 CHADMN CCCN(CCC)Cc1c(Cl)cc(OC)cc1OC ZINC001231693609 1132344593 /nfs/dbraw/zinc/34/45/93/1132344593.db2.gz JWJNRDUHCPPCMR-UHFFFAOYSA-N 0 1 285.815 3.979 20 0 CHADMN c1cc2cc(CN3CC[C@@H]3c3ccccc3)ncc2[nH]1 ZINC001231669898 1132344721 /nfs/dbraw/zinc/34/47/21/1132344721.db2.gz QSGRREKJVYTDAV-QGZVFWFLSA-N 0 1 263.344 3.510 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)N1CCC[C@H]2C[C@H]21 ZINC001172862214 1132344939 /nfs/dbraw/zinc/34/49/39/1132344939.db2.gz PJJKFZWRPONPJF-JRPNMDOOSA-N 0 1 267.775 3.894 20 0 CHADMN Oc1cc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)ccc1Cl ZINC001231730844 1132345889 /nfs/dbraw/zinc/34/58/89/1132345889.db2.gz GPSXGLVDHPSVJV-PHIMTYICSA-N 0 1 287.737 3.523 20 0 CHADMN [O-]c1cc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)ccc1Cl ZINC001231730844 1132345894 /nfs/dbraw/zinc/34/58/94/1132345894.db2.gz GPSXGLVDHPSVJV-PHIMTYICSA-N 0 1 287.737 3.523 20 0 CHADMN [O-]c1cc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)ccc1Cl ZINC001231730844 1132345905 /nfs/dbraw/zinc/34/59/05/1132345905.db2.gz GPSXGLVDHPSVJV-PHIMTYICSA-N 0 1 287.737 3.523 20 0 CHADMN COc1cc(Cl)c(CN2CCC[C@H](C)[C@H]2C)c(OC)c1 ZINC001231697192 1132345956 /nfs/dbraw/zinc/34/59/56/1132345956.db2.gz QBWOQMMRICTYJI-NWDGAFQWSA-N 0 1 297.826 3.978 20 0 CHADMN COc1cc(Cl)c(CN(C)C(C)(C)C)c(OC)c1 ZINC001231697089 1132346947 /nfs/dbraw/zinc/34/69/47/1132346947.db2.gz ORLYPZOGEOYYLY-UHFFFAOYSA-N 0 1 271.788 3.588 20 0 CHADMN CCCCc1ccc(C[N@@H+]2CCC(=O)[C@H](C)CC2)cc1 ZINC001231780356 1132356375 /nfs/dbraw/zinc/35/63/75/1132356375.db2.gz OYUSJTJLKCOMAQ-OAHLLOKOSA-N 0 1 273.420 3.830 20 0 CHADMN CCCCc1ccc(CN2CCC(=O)[C@H](C)CC2)cc1 ZINC001231780356 1132356380 /nfs/dbraw/zinc/35/63/80/1132356380.db2.gz OYUSJTJLKCOMAQ-OAHLLOKOSA-N 0 1 273.420 3.830 20 0 CHADMN CCCCc1ccc(CN2CCc3ccncc3C2)cc1 ZINC001231781051 1132359588 /nfs/dbraw/zinc/35/95/88/1132359588.db2.gz BLPHGHPMHBLWEU-UHFFFAOYSA-N 0 1 280.415 3.983 20 0 CHADMN Cc1nc2cc(Nc3cncc(Cl)c3)ccc2[nH]1 ZINC001213071504 1132360453 /nfs/dbraw/zinc/36/04/53/1132360453.db2.gz VLRATYLXZWVCRZ-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1ccc(CC(C)C)cc1 ZINC001231787486 1132362369 /nfs/dbraw/zinc/36/23/69/1132362369.db2.gz CELXONWMDINXAL-SFHVURJKSA-N 0 1 273.420 3.829 20 0 CHADMN CC(C)Cc1ccc(CN2CC3(C2)C[C@@H](F)CS3)cc1 ZINC001231788125 1132364093 /nfs/dbraw/zinc/36/40/93/1132364093.db2.gz ONRBVYCNLQBRCY-MRXNPFEDSA-N 0 1 293.451 3.915 20 0 CHADMN OC[C@H]1C[C@@H](F)CN(Cc2ccccc2-c2ccccc2)C1 ZINC001142331197 1132370237 /nfs/dbraw/zinc/37/02/37/1132370237.db2.gz MMZJEVZKAZPEBQ-MAUKXSAKSA-N 0 1 299.389 3.506 20 0 CHADMN CC(=O)C1CCN(Cc2ccc(-c3ccccc3)o2)CC1 ZINC001231812638 1132370415 /nfs/dbraw/zinc/37/04/15/1132370415.db2.gz BARDBPYVQQGUSV-UHFFFAOYSA-N 0 1 283.371 3.748 20 0 CHADMN C[C@@H]1COCCN1Cc1ccccc1-c1ccc(F)cc1 ZINC001231821797 1132373165 /nfs/dbraw/zinc/37/31/65/1132373165.db2.gz DVDYTNIUUKQUFM-CQSZACIVSA-N 0 1 285.362 3.713 20 0 CHADMN Cc1ccc2ccccc2c1C[N@@H+]1CCC(=O)[C@@H](F)CC1 ZINC001142371741 1132376124 /nfs/dbraw/zinc/37/61/24/1132376124.db2.gz BZKTZWOQWZFISE-KRWDZBQOSA-N 0 1 285.362 3.651 20 0 CHADMN Cc1ccc2ccccc2c1CN1CCC(=O)[C@@H](F)CC1 ZINC001142371741 1132376131 /nfs/dbraw/zinc/37/61/31/1132376131.db2.gz BZKTZWOQWZFISE-KRWDZBQOSA-N 0 1 285.362 3.651 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@H]2c2ccc(C)nc2)s1 ZINC001206185733 1132376825 /nfs/dbraw/zinc/37/68/25/1132376825.db2.gz RGMDYYAAJAKPHI-HNNXBMFYSA-N 0 1 287.432 3.800 20 0 CHADMN Cc1ccc2ccccc2c1CN(C)Cc1cnc(C)nc1 ZINC001142383832 1132379877 /nfs/dbraw/zinc/37/98/77/1132379877.db2.gz QYPDDPVCVMFVPD-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN Cc1ccc2ccccc2c1CN(C)Cc1ccno1 ZINC001142387735 1132381174 /nfs/dbraw/zinc/38/11/74/1132381174.db2.gz DCYKMIZNXCCHMB-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN CCCOC1CCC(N[C@@H]2CCCC2(F)F)CC1 ZINC001173093055 1132383863 /nfs/dbraw/zinc/38/38/63/1132383863.db2.gz LEOQZKVIRQINIA-WXRRBKDZSA-N 0 1 261.356 3.502 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)C1[C@@H]2CCCCCC[C@@H]12 ZINC001142428266 1132385833 /nfs/dbraw/zinc/38/58/33/1132385833.db2.gz INMVTIFYPZSMLQ-CHWSQXEVSA-N 0 1 283.375 3.718 20 0 CHADMN CC(C)c1ccccc1CN1CCC(=O)C(C)(C)C1 ZINC001231877434 1132387021 /nfs/dbraw/zinc/38/70/21/1132387021.db2.gz GDLVCRMNRZZURP-UHFFFAOYSA-N 0 1 259.393 3.611 20 0 CHADMN CC(C)c1ccccc1CN1CCOCC12CCC2 ZINC001231877428 1132387176 /nfs/dbraw/zinc/38/71/76/1132387176.db2.gz FWMDHPJTXLKJJW-UHFFFAOYSA-N 0 1 259.393 3.565 20 0 CHADMN C[C@H](N[C@@H]1COCc2ccccc21)c1ccc(Cl)nc1 ZINC000841760025 1132394073 /nfs/dbraw/zinc/39/40/73/1132394073.db2.gz JHIUSXWTUQUVJS-XHDPSFHLSA-N 0 1 288.778 3.657 20 0 CHADMN C[C@@H](N[C@@H]1COCc2ccccc21)c1ccc(Cl)nc1 ZINC000841760020 1132395186 /nfs/dbraw/zinc/39/51/86/1132395186.db2.gz JHIUSXWTUQUVJS-IAQYHMDHSA-N 0 1 288.778 3.657 20 0 CHADMN CCN(Cc1cnc(C(F)(F)F)cc1Cl)C(C)C ZINC001231897415 1132396776 /nfs/dbraw/zinc/39/67/76/1132396776.db2.gz BYXVWCLSUWTGBY-UHFFFAOYSA-N 0 1 280.721 3.984 20 0 CHADMN CCC[N@@H+](CC)Cc1cnc(C(F)(F)F)cc1Cl ZINC001231898656 1132397479 /nfs/dbraw/zinc/39/74/79/1132397479.db2.gz WRXVKXKMCBSRDV-UHFFFAOYSA-N 0 1 280.721 3.986 20 0 CHADMN CCCN(CC)Cc1cnc(C(F)(F)F)cc1Cl ZINC001231898656 1132397485 /nfs/dbraw/zinc/39/74/85/1132397485.db2.gz WRXVKXKMCBSRDV-UHFFFAOYSA-N 0 1 280.721 3.986 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccccc2)cnc1F ZINC001231926197 1132400802 /nfs/dbraw/zinc/40/08/02/1132400802.db2.gz MARBVRFZJBPMSU-MRXNPFEDSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccc([C@H](C)NCc2cc3ccccc3n2C)o1 ZINC000638284403 1132401373 /nfs/dbraw/zinc/40/13/73/1132401373.db2.gz FYRHWEQPOHUVMD-ZDUSSCGKSA-N 0 1 268.360 3.931 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1cnc(F)c(C)c1 ZINC001231926516 1132401891 /nfs/dbraw/zinc/40/18/91/1132401891.db2.gz YRPIPLUKFKUQFW-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN C[C@H]1CCN(Cc2ncccc2C(F)(F)F)[C@@H](C)C1 ZINC001231963166 1132402812 /nfs/dbraw/zinc/40/28/12/1132402812.db2.gz SMTKQIZRABAZQJ-QWRGUYRKSA-N 0 1 272.314 3.721 20 0 CHADMN CCCC1CCN(Cc2ncccc2Cl)CC1 ZINC001231959014 1132403329 /nfs/dbraw/zinc/40/33/29/1132403329.db2.gz HWCOZLWLJOLMIV-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN FC[C@H]1[C@@H]2C[N@@H+](Cc3ccc4ccnc(Cl)c4c3)C[C@H]12 ZINC001231977545 1132405254 /nfs/dbraw/zinc/40/52/54/1132405254.db2.gz ARFZWFGULHTSEC-QKDCVEJESA-N 0 1 290.769 3.536 20 0 CHADMN C[N@@H+](Cc1ccc2ccnc(Cl)c2c1)Cc1ccccn1 ZINC001231976583 1132405386 /nfs/dbraw/zinc/40/53/86/1132405386.db2.gz SGWMMHQNNIAGMR-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN CN(Cc1ccc2ccnc(Cl)c2c1)Cc1ccccn1 ZINC001231976583 1132405389 /nfs/dbraw/zinc/40/53/89/1132405389.db2.gz SGWMMHQNNIAGMR-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCC(=O)[C@@H](C)CC1 ZINC001232001923 1132408813 /nfs/dbraw/zinc/40/88/13/1132408813.db2.gz KUCAQPKUPOKKJI-NSHDSACASA-N 0 1 299.336 3.815 20 0 CHADMN Cc1cc(CN2CCSC[C@H]2c2ccccc2)cc(C)n1 ZINC001232000571 1132409145 /nfs/dbraw/zinc/40/91/45/1132409145.db2.gz OXUHZNRIMDKAOF-SFHVURJKSA-N 0 1 298.455 3.989 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1cc(C)nc(C)c1 ZINC001232001191 1132409497 /nfs/dbraw/zinc/40/94/97/1132409497.db2.gz NOAAPTRDALSYTN-OAHLLOKOSA-N 0 1 284.403 3.900 20 0 CHADMN Cc1cc(Br)cnc1C[N@@H+]1CCC[C@H](C)CC1 ZINC001232047078 1132413963 /nfs/dbraw/zinc/41/39/63/1132413963.db2.gz LPZLJQPXVRMPHE-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN Cc1cc(Br)cnc1CN1CCC[C@H](C)CC1 ZINC001232047078 1132413967 /nfs/dbraw/zinc/41/39/67/1132413967.db2.gz LPZLJQPXVRMPHE-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN c1cc(CNc2ccc3c(c2)nc2n3CCCCC2)co1 ZINC000842214739 1132414919 /nfs/dbraw/zinc/41/49/19/1132414919.db2.gz RDJFKCJGJHMCRH-UHFFFAOYSA-N 0 1 281.359 3.968 20 0 CHADMN C[C@H]1CCCN(Cc2cccc(C(F)(F)F)n2)CC1 ZINC001232068899 1132416848 /nfs/dbraw/zinc/41/68/48/1132416848.db2.gz JQRGUBMHKFIKJE-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN C[C@@H]1CN(Cc2cc3ncccc3[nH]2)Cc2ccccc21 ZINC001232063559 1132416867 /nfs/dbraw/zinc/41/68/67/1132416867.db2.gz MHAUVBDDUMANMI-CYBMUJFWSA-N 0 1 277.371 3.682 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142660110 1132419646 /nfs/dbraw/zinc/41/96/46/1132419646.db2.gz FOHGSGBNVJNXCN-CYBMUJFWSA-N 0 1 281.783 3.803 20 0 CHADMN CCC(C)(C)c1ccc(CN2CCCC23COC3)cc1 ZINC001232080888 1132420831 /nfs/dbraw/zinc/42/08/31/1132420831.db2.gz LTGXWTWGDDFHPX-UHFFFAOYSA-N 0 1 273.420 3.739 20 0 CHADMN CCCC[C@@H](CC(C)C)N(C)Cc1nnc2ccccn21 ZINC001173257672 1132424760 /nfs/dbraw/zinc/42/47/60/1132424760.db2.gz KTUIEXJNMBABKE-HNNXBMFYSA-N 0 1 288.439 3.766 20 0 CHADMN Cc1cnc(CN2[C@@H](C)CCC[C@@H]2C)c(Br)c1 ZINC001232172566 1132432343 /nfs/dbraw/zinc/43/23/43/1132432343.db2.gz DWPIJZGKRMZKGP-RYUDHWBXSA-N 0 1 297.240 3.915 20 0 CHADMN Fc1cccc2c(CN3CC[C@H](C(F)(F)F)C3)ccnc12 ZINC001232210074 1132435032 /nfs/dbraw/zinc/43/50/32/1132435032.db2.gz VLTWWHQYPSCSMV-NSHDSACASA-N 0 1 298.283 3.758 20 0 CHADMN CC[C@H](F)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC001142732820 1132437399 /nfs/dbraw/zinc/43/73/99/1132437399.db2.gz MGMHQUTYHXFBRL-JTQLQIEISA-N 0 1 277.343 3.547 20 0 CHADMN CC(C)(C)c1cc(CN2CCC(C(F)F)CC2)ccn1 ZINC001232218331 1132438563 /nfs/dbraw/zinc/43/85/63/1132438563.db2.gz WPSJHKQFWRFPRC-UHFFFAOYSA-N 0 1 282.378 3.856 20 0 CHADMN Cc1sc(CN2CCC[C@H]2C)cc1Br ZINC001232290286 1132450031 /nfs/dbraw/zinc/45/00/31/1132450031.db2.gz SAGPQTRHSNCEBX-MRVPVSSYSA-N 0 1 274.227 3.803 20 0 CHADMN CCSC[C@H](C)N1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001173311825 1132450636 /nfs/dbraw/zinc/45/06/36/1132450636.db2.gz PMPXXGNXKTYRHB-BBRMVZONSA-N 0 1 297.439 3.515 20 0 CHADMN CCOc1ncc(CN(C)Cc2ccc(F)cc2)cc1C ZINC001232302827 1132451173 /nfs/dbraw/zinc/45/11/73/1132451173.db2.gz MMNYBRVFCQPHPK-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN CCOc1ncc(CN2Cc3ccccc3[C@@H](C)C2)cc1C ZINC001232302284 1132451336 /nfs/dbraw/zinc/45/13/36/1132451336.db2.gz BRJCHOMGUOMDGM-HNNXBMFYSA-N 0 1 296.414 3.908 20 0 CHADMN CCOc1ccc(CN2CCCC[C@@](C)(F)C2)c(C)n1 ZINC001232306647 1132451436 /nfs/dbraw/zinc/45/14/36/1132451436.db2.gz CIRQKDIJOSAQRF-MRXNPFEDSA-N 0 1 280.387 3.503 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H]2c2cccnc2)c(C)n1 ZINC001232308535 1132452387 /nfs/dbraw/zinc/45/23/87/1132452387.db2.gz QXNYDGXCCPBPHK-QGZVFWFLSA-N 0 1 297.402 3.521 20 0 CHADMN Cc1nc(Br)ccc1CN1CCC[C@H](C)[C@H]1C ZINC001232322509 1132454990 /nfs/dbraw/zinc/45/49/90/1132454990.db2.gz KDYGWFVISYSAPX-CMPLNLGQSA-N 0 1 297.240 3.773 20 0 CHADMN CSc1ccc(CN2CCC[C@H](c3ccccn3)C2)cn1 ZINC001232329524 1132456211 /nfs/dbraw/zinc/45/62/11/1132456211.db2.gz ZOLCLTBMGAOKAK-HNNXBMFYSA-N 0 1 299.443 3.578 20 0 CHADMN CSc1cc(C)c(CN2CCC[C@H](C(F)F)C2)cn1 ZINC001232348159 1132458917 /nfs/dbraw/zinc/45/89/17/1132458917.db2.gz OCXHNGPXTVHWDN-NSHDSACASA-N 0 1 286.391 3.589 20 0 CHADMN Cc1cc(CNC2(c3cccc(Cl)c3)CCC2)n(C)n1 ZINC000842770630 1132459716 /nfs/dbraw/zinc/45/97/16/1132459716.db2.gz ANSYLQPZDAHJQH-UHFFFAOYSA-N 0 1 289.810 3.551 20 0 CHADMN CCOc1ccc(OC)cc1CN1CCC(F)(F)[C@@H](C)C1 ZINC001232381225 1132461945 /nfs/dbraw/zinc/46/19/45/1132461945.db2.gz ULCIVAIIPPCSJW-LBPRGKRZSA-N 0 1 299.361 3.571 20 0 CHADMN Cc1ccc(OC(C)C)c(CN(C)C[C@@H]2CCCCO2)c1 ZINC001232397560 1132466274 /nfs/dbraw/zinc/46/62/74/1132466274.db2.gz QDLPTPVGYDEGDM-KRWDZBQOSA-N 0 1 291.435 3.783 20 0 CHADMN FC(F)(F)c1ccc(CN2CCc3ccccc3CC2)o1 ZINC001232444457 1132470985 /nfs/dbraw/zinc/47/09/85/1132470985.db2.gz UXZAWLNUNQCZGO-UHFFFAOYSA-N 0 1 295.304 3.899 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2ccc(C(F)(F)F)o2)C1 ZINC001232445607 1132471268 /nfs/dbraw/zinc/47/12/68/1132471268.db2.gz SLCDPHMHCXPYGL-AOOOYVTPSA-N 0 1 261.287 3.776 20 0 CHADMN FC(F)(F)c1ccc(CN2CC3CCC(CC3)C2)o1 ZINC001232444855 1132471308 /nfs/dbraw/zinc/47/13/08/1132471308.db2.gz CMRZTZSVNZGAEV-UHFFFAOYSA-N 0 1 273.298 3.920 20 0 CHADMN C[C@H]1CCCCN1Cc1cc(OCc2ccccc2)no1 ZINC001232448744 1132471449 /nfs/dbraw/zinc/47/14/49/1132471449.db2.gz OBHNGPHBXUVJIW-AWEZNQCLSA-N 0 1 286.375 3.628 20 0 CHADMN O=C1CN([C@H]2CCCC3(CCCCC3)C2)CCC[C@H]1F ZINC001173347163 1132472664 /nfs/dbraw/zinc/47/26/64/1132472664.db2.gz XMOBXWZBHNBMPM-LSDHHAIUSA-N 0 1 281.415 3.883 20 0 CHADMN Fc1ccccc1C1(N[C@@H]2CCCc3n[nH]cc32)CCC1 ZINC000842904742 1132475131 /nfs/dbraw/zinc/47/51/31/1132475131.db2.gz GNUDZBFEEFNBGJ-OAHLLOKOSA-N 0 1 285.366 3.595 20 0 CHADMN CCc1csc(CN(C)CC/C=C/c2cccnc2)n1 ZINC001232473939 1132475926 /nfs/dbraw/zinc/47/59/26/1132475926.db2.gz ILDRUUVJCTXTHI-QPJJXVBHSA-N 0 1 287.432 3.636 20 0 CHADMN Cc1cccc(F)c1CN1CCC(F)(F)[C@H](C)C1 ZINC001232481147 1132478384 /nfs/dbraw/zinc/47/83/84/1132478384.db2.gz AGYFZJGYDITJAI-LLVKDONJSA-N 0 1 257.299 3.611 20 0 CHADMN CN(Cc1cccc(CF)n1)Cc1cccc2cccnc21 ZINC001232536954 1132483415 /nfs/dbraw/zinc/48/34/15/1132483415.db2.gz VRPMEGJEYWUQGX-UHFFFAOYSA-N 0 1 295.361 3.731 20 0 CHADMN C[C@H]1CCN(Cc2cc3ccoc3cn2)CCC1(F)F ZINC001232549344 1132485085 /nfs/dbraw/zinc/48/50/85/1132485085.db2.gz GDVYBECNHAXVRY-NSHDSACASA-N 0 1 280.318 3.695 20 0 CHADMN C[C@@H]1CN(Cc2cc3ccoc3cn2)Cc2ccccc21 ZINC001232549151 1132485737 /nfs/dbraw/zinc/48/57/37/1132485737.db2.gz BZAXROJFEQBEFC-CYBMUJFWSA-N 0 1 278.355 3.947 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1cc2ccoc2cn1 ZINC001232553667 1132485965 /nfs/dbraw/zinc/48/59/65/1132485965.db2.gz BMBTXODDOMITSZ-UHFFFAOYSA-N 0 1 296.370 3.859 20 0 CHADMN C[C@H](CCc1ccc(Cl)c(Cl)c1)N1CCOCC1 ZINC001173546102 1132491062 /nfs/dbraw/zinc/49/10/62/1132491062.db2.gz GJGJKBUGPBUVLO-LLVKDONJSA-N 0 1 288.218 3.647 20 0 CHADMN C[C@H](CCc1ccc(Cl)c(Cl)c1)n1ccnc1CN ZINC001173541876 1132491269 /nfs/dbraw/zinc/49/12/69/1132491269.db2.gz DPNVKCKORXSKAQ-SNVBAGLBSA-N 0 1 298.217 3.842 20 0 CHADMN CCC[C@H]1CCCCN1Cc1cnc2ccc(Cl)nn12 ZINC001142995454 1132491649 /nfs/dbraw/zinc/49/16/49/1132491649.db2.gz MJLOGUBLOJBXMN-LBPRGKRZSA-N 0 1 292.814 3.537 20 0 CHADMN CCOC(=O)c1ccc(CN2CCCC23CC3)c(Cl)c1 ZINC001232592011 1132492095 /nfs/dbraw/zinc/49/20/95/1132492095.db2.gz FUIVEDQDOJRWQW-UHFFFAOYSA-N 0 1 293.794 3.645 20 0 CHADMN CCOC(=O)c1ccc(CN2C3CCC2CC3)c(Cl)c1 ZINC001232596252 1132492178 /nfs/dbraw/zinc/49/21/78/1132492178.db2.gz RKUBZMDJMJELAD-UHFFFAOYSA-N 0 1 293.794 3.644 20 0 CHADMN c1cc2ccc(CN3CCOC[C@H]3C3CC3)cc2s1 ZINC001232616019 1132494982 /nfs/dbraw/zinc/49/49/82/1132494982.db2.gz MDJIGDODYAPSNU-HNNXBMFYSA-N 0 1 273.401 3.512 20 0 CHADMN CCc1ccc(C(C)(C)c2nc([C@H](N)C(C)C)no2)cc1 ZINC000843152716 1132497771 /nfs/dbraw/zinc/49/77/71/1132497771.db2.gz QXYKYRDOJPYZOZ-CQSZACIVSA-N 0 1 287.407 3.614 20 0 CHADMN C/C(=C\c1nc([C@@H](N)C(C)C)no1)c1ccccc1Cl ZINC000843149038 1132498042 /nfs/dbraw/zinc/49/80/42/1132498042.db2.gz IEZKFHHOFAOVSS-PLWJUESGSA-N 0 1 291.782 3.939 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2[nH]c3ccccc3c2Cl)n1 ZINC000843148036 1132498294 /nfs/dbraw/zinc/49/82/94/1132498294.db2.gz KZAKGBKOACSRPX-LLVKDONJSA-N 0 1 290.754 3.527 20 0 CHADMN CCCN[C@H](C)c1nc(-c2ccc3[nH]c(C)c(C)c3c2)no1 ZINC000843181736 1132500477 /nfs/dbraw/zinc/50/04/77/1132500477.db2.gz NKTLFMQZNZMXTR-GFCCVEGCSA-N 0 1 298.390 3.895 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1cccc2c1CCCC2 ZINC001232638541 1132500832 /nfs/dbraw/zinc/50/08/32/1132500832.db2.gz LRRQJSOKAQXIKT-SFHVURJKSA-N 0 1 271.404 3.509 20 0 CHADMN c1ccc([C@@H]2CCN2Cc2cncc3cnccc32)cc1 ZINC001232651666 1132501236 /nfs/dbraw/zinc/50/12/36/1132501236.db2.gz CZFXMYCUZXDGIN-SFHVURJKSA-N 0 1 275.355 3.577 20 0 CHADMN CCCN[C@H](C)c1nc([C@H](C)c2ccccc2C)no1 ZINC000843192978 1132501831 /nfs/dbraw/zinc/50/18/31/1132501831.db2.gz JUIAZLMVUHGZKV-CHWSQXEVSA-N 0 1 273.380 3.590 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc([C@@H](C)C(C)(C)C)no1 ZINC000843190349 1132502125 /nfs/dbraw/zinc/50/21/25/1132502125.db2.gz YFQGMASXBPSPHD-MNOVXSKESA-N 0 1 267.417 3.916 20 0 CHADMN CC(C)(C)c1ccc(-c2noc(-c3ccc(CN)o3)n2)cc1 ZINC000843226929 1132506633 /nfs/dbraw/zinc/50/66/33/1132506633.db2.gz IIVDLIDDWFEALV-UHFFFAOYSA-N 0 1 297.358 3.753 20 0 CHADMN O=c1nc(CC[C@@H]2CC2(Cl)Cl)[nH]c2ccsc21 ZINC000843272820 1132511160 /nfs/dbraw/zinc/51/11/60/1132511160.db2.gz OCFMOILWUMJTDJ-ZCFIWIBFSA-N 0 1 289.187 3.523 20 0 CHADMN Fc1cccc2c1CCN(Cc1cccc3ncsc31)C2 ZINC001232736780 1132512618 /nfs/dbraw/zinc/51/26/18/1132512618.db2.gz QHOYVINUXMOBQO-UHFFFAOYSA-N 0 1 298.386 3.994 20 0 CHADMN Cc1c(CN2CC[C@@H](C)C(F)(F)CC2)ccnc1Cl ZINC001232750901 1132516069 /nfs/dbraw/zinc/51/60/69/1132516069.db2.gz GQKWJTMXJHAOIV-SNVBAGLBSA-N 0 1 288.769 3.911 20 0 CHADMN Cc1ncn(-c2ccc(Oc3ccccc3)cc2)c1N ZINC001173811956 1132516809 /nfs/dbraw/zinc/51/68/09/1132516809.db2.gz YLCDNEXHNLTCIZ-UHFFFAOYSA-N 0 1 265.316 3.555 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1cc2cccnc2[nH]1 ZINC001143221812 1132519311 /nfs/dbraw/zinc/51/93/11/1132519311.db2.gz MLXDVGKJWSWIJD-ZDUSSCGKSA-N 0 1 277.371 3.510 20 0 CHADMN Cc1cc(CN2CCC3(CCCOC3)CC2)c(F)cc1F ZINC001232786864 1132521719 /nfs/dbraw/zinc/52/17/19/1132521719.db2.gz UFDWJZKPCQRNEH-UHFFFAOYSA-N 0 1 295.373 3.666 20 0 CHADMN FC(F)c1ccc(CN2CCc3cnccc3C2)cc1 ZINC001143242709 1132522284 /nfs/dbraw/zinc/52/22/84/1132522284.db2.gz KSXTXNYCPBXKTO-UHFFFAOYSA-N 0 1 274.314 3.578 20 0 CHADMN Nc1cccc(CN2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000843358764 1132522682 /nfs/dbraw/zinc/52/26/82/1132522682.db2.gz ZCKAPKZGXLPIQJ-QGZVFWFLSA-N 0 1 288.341 3.884 20 0 CHADMN COc1cc(O)cc(CN2CCC[C@H]2c2cccs2)c1 ZINC001232803933 1132522747 /nfs/dbraw/zinc/52/27/47/1132522747.db2.gz RJRVMQCZLGTKFG-HNNXBMFYSA-N 0 1 289.400 3.799 20 0 CHADMN COc1cc(O)cc(CN2Cc3ccccc3[C@H](C)C2)c1 ZINC001232800336 1132523329 /nfs/dbraw/zinc/52/33/29/1132523329.db2.gz DAHBWSZVFABCBC-CYBMUJFWSA-N 0 1 283.371 3.520 20 0 CHADMN COc1cc(CN(C)Cc2ccccc2)c(OC)cc1C ZINC001232834570 1132529386 /nfs/dbraw/zinc/52/93/86/1132529386.db2.gz XZYVXPHBTOVYPM-UHFFFAOYSA-N 0 1 285.387 3.644 20 0 CHADMN Brc1coc(CN2CCC3(CCCC3)C2)c1 ZINC001232854655 1132531694 /nfs/dbraw/zinc/53/16/94/1132531694.db2.gz NTXZEVSDSRGTLG-UHFFFAOYSA-N 0 1 284.197 3.808 20 0 CHADMN CC(C)[C@@H]1N(Cc2ccc(Cl)nc2)CC12CC=CC2 ZINC000843431343 1132532121 /nfs/dbraw/zinc/53/21/21/1132532121.db2.gz CCMBPTPSZRLQMI-HNNXBMFYSA-N 0 1 276.811 3.912 20 0 CHADMN CC(C)[C@H]1N(Cc2ccc(Cl)nc2)CC12CC=CC2 ZINC000843431344 1132532538 /nfs/dbraw/zinc/53/25/38/1132532538.db2.gz CCMBPTPSZRLQMI-OAHLLOKOSA-N 0 1 276.811 3.912 20 0 CHADMN CN(CCc1cccnc1)Cc1ccc(F)c(F)c1Cl ZINC001232877942 1132535000 /nfs/dbraw/zinc/53/50/00/1132535000.db2.gz SNOGEPLSJOJBAC-UHFFFAOYSA-N 0 1 296.748 3.688 20 0 CHADMN COc1c(F)ccc(CN2C3CCCC2CCC3)c1F ZINC001143329655 1132537241 /nfs/dbraw/zinc/53/72/41/1132537241.db2.gz YJXZHWATCKWCQH-UHFFFAOYSA-N 0 1 281.346 3.880 20 0 CHADMN Oc1cc(Br)cc(CN2CCCCCC2)c1 ZINC001232996269 1132561103 /nfs/dbraw/zinc/56/11/03/1132561103.db2.gz DWMJWTQZQGHZGF-UHFFFAOYSA-N 0 1 284.197 3.531 20 0 CHADMN Fc1cc(OCc2ccccc2)ccc1CN1C[C@@H]2C[C@@H]2C1 ZINC001232916589 1132542851 /nfs/dbraw/zinc/54/28/51/1132542851.db2.gz BBBRSGWNAHPJEK-CALCHBBNSA-N 0 1 297.373 3.856 20 0 CHADMN Cc1ccc(CC[N@H+](C)Cc2ccc(F)c([O-])c2F)cc1 ZINC001232935261 1132544120 /nfs/dbraw/zinc/54/41/20/1132544120.db2.gz PJIFXRIWFAIQFT-UHFFFAOYSA-N 0 1 291.341 3.653 20 0 CHADMN [O-]c1c(F)ccc(C[N@H+]2CCCC3(CC(F)C3)CC2)c1F ZINC001232937241 1132544848 /nfs/dbraw/zinc/54/48/48/1132544848.db2.gz LNFZTBWDLHQLGJ-UHFFFAOYSA-N 0 1 299.336 3.775 20 0 CHADMN c1nc2ccc(CN3CCCC[C@H]3c3cccnc3)cc2o1 ZINC001232940563 1132545521 /nfs/dbraw/zinc/54/55/21/1132545521.db2.gz BTVMFJFCHRZDFV-KRWDZBQOSA-N 0 1 293.370 3.950 20 0 CHADMN CCC[N@@H+](Cc1ccc(F)c([O-])c1F)[C@H](C)CC ZINC001232932475 1132545837 /nfs/dbraw/zinc/54/58/37/1132545837.db2.gz ZFPNONFGKZQAIF-SNVBAGLBSA-N 0 1 257.324 3.681 20 0 CHADMN C[C@@H](O)c1ccc(Nc2ccc(Cl)c(O)c2F)cc1 ZINC001214799543 1132552783 /nfs/dbraw/zinc/55/27/83/1132552783.db2.gz XQJIACRINXXFMV-MRVPVSSYSA-N 0 1 281.714 3.982 20 0 CHADMN CCOc1ccc(Nc2c(C)nc3ccc(F)cn32)cc1 ZINC001173851343 1132554599 /nfs/dbraw/zinc/55/45/99/1132554599.db2.gz BZVDNNYZNUYZJC-UHFFFAOYSA-N 0 1 285.322 3.924 20 0 CHADMN CCC(CC)(CC)CNC(=O)c1cccc2nc(C)[nH]c21 ZINC001150610487 1132555645 /nfs/dbraw/zinc/55/56/45/1132555645.db2.gz SQTOVZKEKPZETK-UHFFFAOYSA-N 0 1 287.407 3.818 20 0 CHADMN Cc1ncc(F)cc1CN1CC[C@H](c2cccc(F)c2)C1 ZINC001232990766 1132557664 /nfs/dbraw/zinc/55/76/64/1132557664.db2.gz QDZOVYBLCSDEKF-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1cc(F)cnc1C ZINC001232990704 1132557787 /nfs/dbraw/zinc/55/77/87/1132557787.db2.gz NRXVJCKRYKVLEW-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN Cc1ncc(F)cc1CN1CCC[C@H]1c1ccccc1 ZINC001232988464 1132557829 /nfs/dbraw/zinc/55/78/29/1132557829.db2.gz BINCYROTUQWCFA-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ncc(F)cc1CN1CCC(Cc2ccccc2)CC1 ZINC001232986567 1132558466 /nfs/dbraw/zinc/55/84/66/1132558466.db2.gz KEDVNWAAWCNBCE-UHFFFAOYSA-N 0 1 298.405 3.984 20 0 CHADMN CC[C@@H](C)N(C)Cc1c(F)cc(Cl)cc1OC ZINC001232999458 1132559597 /nfs/dbraw/zinc/55/95/97/1132559597.db2.gz FGHHSHLSFNCXFB-SECBINFHSA-N 0 1 259.752 3.718 20 0 CHADMN Cc1cc(C)c(CN2CC[C@H]2c2ccccc2)cn1 ZINC001233009922 1132563464 /nfs/dbraw/zinc/56/34/64/1132563464.db2.gz PFSSBUSXGKHOSU-KRWDZBQOSA-N 0 1 252.361 3.645 20 0 CHADMN [O-]c1cccc(C[NH+]2CCCCCCCC2)c1F ZINC001233054761 1132567257 /nfs/dbraw/zinc/56/72/57/1132567257.db2.gz XMMFATUYPGJGBT-UHFFFAOYSA-N 0 1 251.345 3.688 20 0 CHADMN O=C(Nc1ccc(F)c(C2CC2)c1)c1cc2cccnc2[nH]1 ZINC001151549137 1132571817 /nfs/dbraw/zinc/57/18/17/1132571817.db2.gz BQSQPVVXRWVYFU-UHFFFAOYSA-N 0 1 295.317 3.832 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1[nH]nc3cc(F)ccc31)CC2 ZINC001233120336 1132572982 /nfs/dbraw/zinc/57/29/82/1132572982.db2.gz YQZCZOMKDSAHOH-UHFFFAOYSA-N 0 1 295.361 3.569 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1n[nH]c3cc(F)ccc31)CC2 ZINC001233120336 1132572986 /nfs/dbraw/zinc/57/29/86/1132572986.db2.gz YQZCZOMKDSAHOH-UHFFFAOYSA-N 0 1 295.361 3.569 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cnc(C)c(C)c2)cn1 ZINC001233160648 1132573860 /nfs/dbraw/zinc/57/38/60/1132573860.db2.gz DPQDLGUVUNOKBU-SFHVURJKSA-N 0 1 281.403 3.739 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cnc(C)c(C)c1 ZINC001233161268 1132573995 /nfs/dbraw/zinc/57/39/95/1132573995.db2.gz ZIKHLJBZVWUDRF-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN C(=Cc1ccccc1)Nc1cc(-c2ccccn2)no1 ZINC001173871618 1132575152 /nfs/dbraw/zinc/57/51/52/1132575152.db2.gz PRBPJUUCMMQYAH-PKNBQFBNSA-N 0 1 263.300 3.819 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1cnc(C)c(C)c1 ZINC001233161215 1132575301 /nfs/dbraw/zinc/57/53/01/1132575301.db2.gz XFRGALJOXBTSHO-HNNXBMFYSA-N 0 1 284.403 3.900 20 0 CHADMN C[N@@H+](Cc1cc(F)c([O-])c(F)c1)[C@@H]1CCc2ccccc21 ZINC000131991118 1132575410 /nfs/dbraw/zinc/57/54/10/1132575410.db2.gz MIKUZKGUPAAFNI-MRXNPFEDSA-N 0 1 289.325 3.790 20 0 CHADMN CC(C)Oc1ncc(Cl)cc1CN1C[C@H]2CCC[C@@H]2C1 ZINC001233164850 1132576173 /nfs/dbraw/zinc/57/61/73/1132576173.db2.gz KPDWFGBOVXQUPK-CHWSQXEVSA-N 0 1 294.826 3.754 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CCCCCCC1 ZINC001233172165 1132576561 /nfs/dbraw/zinc/57/65/61/1132576561.db2.gz KYXIKBBCGDIEKQ-UHFFFAOYSA-N 0 1 282.815 3.900 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001233172253 1132577663 /nfs/dbraw/zinc/57/76/63/1132577663.db2.gz NUSCEWTYBNVDFB-WFASDCNBSA-N 0 1 294.826 3.898 20 0 CHADMN Fc1ccc(Oc2cccc(CN3CCC3)c2)cc1 ZINC001233206550 1132580694 /nfs/dbraw/zinc/58/06/94/1132580694.db2.gz SBLDJGDVEROAPC-UHFFFAOYSA-N 0 1 257.308 3.824 20 0 CHADMN COc1cc(Br)cc(CN2CCC(C)(C)C2)c1 ZINC001233215450 1132581848 /nfs/dbraw/zinc/58/18/48/1132581848.db2.gz NVHJIXHYUZSCMB-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1F ZINC000132386871 1132581725 /nfs/dbraw/zinc/58/17/25/1132581725.db2.gz TWTVXLPMIYDCHG-WFASDCNBSA-N 0 1 281.346 3.825 20 0 CHADMN Cc1csc(CN2CCC3(CC[C@@H](F)C3)CC2)n1 ZINC001204378753 1132583184 /nfs/dbraw/zinc/58/31/84/1132583184.db2.gz DOWYTVIGZVAUOP-GFCCVEGCSA-N 0 1 268.401 3.556 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2ccc(C)c(O)c2)cn1 ZINC001233234190 1132586911 /nfs/dbraw/zinc/58/69/11/1132586911.db2.gz MQJONLKJQGCALG-KRWDZBQOSA-N 0 1 282.387 3.741 20 0 CHADMN Cc1ccc(CC[N@H+](C)Cc2ccc([S-])cc2)cc1 ZINC001233261442 1132590131 /nfs/dbraw/zinc/59/01/31/1132590131.db2.gz PQQXLQNBHGTTMU-UHFFFAOYSA-N 0 1 271.429 3.958 20 0 CHADMN F[C@@H]1CC[N@@H+](Cc2ccc([S-])cc2)CCC1(F)F ZINC001233258508 1132591659 /nfs/dbraw/zinc/59/16/59/1132591659.db2.gz HOXCIHDISSIWGG-GFCCVEGCSA-N 0 1 275.339 3.545 20 0 CHADMN FC[C@@H]1C[N@@H+](Cc2ccc([S-])cc2)C[C@H]1C(F)(F)F ZINC001233258477 1132591783 /nfs/dbraw/zinc/59/17/83/1132591783.db2.gz GLNILPYBNDTHPT-ZYHUDNBSSA-N 0 1 293.329 3.555 20 0 CHADMN O=C(c1ccccc1)[C@H]1CC[N@H+](Cc2ccc([S-])cc2)C1 ZINC001233262695 1132593807 /nfs/dbraw/zinc/59/38/07/1132593807.db2.gz QXJIWNJGWKEFEK-INIZCTEOSA-N 0 1 297.423 3.680 20 0 CHADMN C[C@H](CC(=O)Nc1nc(C2CCC2)n[nH]1)C1CCCCC1 ZINC001153735790 1132599705 /nfs/dbraw/zinc/59/97/05/1132599705.db2.gz WRHJFQYBXMWMTG-LLVKDONJSA-N 0 1 290.411 3.617 20 0 CHADMN C[C@H](CC(=O)Nc1n[nH]c(C2CCC2)n1)C1CCCCC1 ZINC001153735790 1132599710 /nfs/dbraw/zinc/59/97/10/1132599710.db2.gz WRHJFQYBXMWMTG-LLVKDONJSA-N 0 1 290.411 3.617 20 0 CHADMN Cc1cnsc1CN1CCC(c2ccccc2F)CC1 ZINC001233320739 1132600401 /nfs/dbraw/zinc/60/04/01/1132600401.db2.gz LIRLTGPYMMIILA-UHFFFAOYSA-N 0 1 290.407 3.970 20 0 CHADMN COc1cc(F)c(CN2[C@H](C)CCC[C@H]2C)cc1F ZINC001233340878 1132604810 /nfs/dbraw/zinc/60/48/10/1132604810.db2.gz UBPZXSMBQZWSSE-GHMZBOCLSA-N 0 1 269.335 3.736 20 0 CHADMN COc1cc(F)c(CN2CCC3(CCCC3)C2)cc1F ZINC001233343299 1132605725 /nfs/dbraw/zinc/60/57/25/1132605725.db2.gz HUTSNDGDZXBWLG-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN COc1cc(F)c(CN2CCC[C@@H]3CCC[C@@H]32)cc1F ZINC001233344113 1132606357 /nfs/dbraw/zinc/60/63/57/1132606357.db2.gz OJYAIYYJGIUNOZ-NHYWBVRUSA-N 0 1 281.346 3.738 20 0 CHADMN OCc1cc(Nc2cccc(-c3ccccc3)c2)ccn1 ZINC001173911706 1132608000 /nfs/dbraw/zinc/60/80/00/1132608000.db2.gz NMEGXTYTBBLLSK-UHFFFAOYSA-N 0 1 276.339 3.985 20 0 CHADMN Clc1cccc2ncc(C[N@H+]3CCCCC34CC4)n21 ZINC001233359000 1132609867 /nfs/dbraw/zinc/60/98/67/1132609867.db2.gz DPXAASNHZYSTSS-UHFFFAOYSA-N 0 1 275.783 3.506 20 0 CHADMN Clc1cccc2ncc(CN3CCCCC34CC4)n21 ZINC001233359000 1132609869 /nfs/dbraw/zinc/60/98/69/1132609869.db2.gz DPXAASNHZYSTSS-UHFFFAOYSA-N 0 1 275.783 3.506 20 0 CHADMN CSc1cccc(Cl)c1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001233353034 1132610032 /nfs/dbraw/zinc/61/00/32/1132610032.db2.gz DKOZFMWPTXTFEZ-SMDDNHRTSA-N 0 1 297.851 3.673 20 0 CHADMN Fc1ccccc1[C@H]1CCCN1Cc1cccc2nccn21 ZINC001233363285 1132612004 /nfs/dbraw/zinc/61/20/04/1132612004.db2.gz TYTCTUZOESPSMO-QGZVFWFLSA-N 0 1 295.361 3.811 20 0 CHADMN C[C@@H]1CCN(Cc2cn3ccc(Cl)cc3n2)[C@H](C)C1 ZINC001233391681 1132617138 /nfs/dbraw/zinc/61/71/38/1132617138.db2.gz RUKPYRUALJMCBX-VXGBXAGGSA-N 0 1 277.799 3.608 20 0 CHADMN CCN(Cc1cc(Br)ncc1Cl)C(C)C ZINC001233425033 1132620536 /nfs/dbraw/zinc/62/05/36/1132620536.db2.gz JWXJRDGMFBPOOF-UHFFFAOYSA-N 0 1 291.620 3.728 20 0 CHADMN Clc1ccc(Nc2ccncc2)cc1Br ZINC001173883321 1132623798 /nfs/dbraw/zinc/62/37/98/1132623798.db2.gz MTOBDTDFEJZCSX-UHFFFAOYSA-N 0 1 283.556 3.663 20 0 CHADMN FC(F)(F)Oc1ccc(Nc2ccncc2)cc1Cl ZINC001173882428 1132624017 /nfs/dbraw/zinc/62/40/17/1132624017.db2.gz JUARRUKDZYKQSC-UHFFFAOYSA-N 0 1 288.656 3.799 20 0 CHADMN Fc1cccc(Nc2ccncc2)c1OC1CCCC1 ZINC001173884287 1132624790 /nfs/dbraw/zinc/62/47/90/1132624790.db2.gz LNMBWPFZQNOPGL-UHFFFAOYSA-N 0 1 272.323 3.708 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1cncc(Cl)n1 ZINC001233450557 1132625195 /nfs/dbraw/zinc/62/51/95/1132625195.db2.gz ZRTAPQJJTVPYAN-CQSZACIVSA-N 0 1 275.783 3.713 20 0 CHADMN Cc1ccc(Nc2ccncc2)c(NC(=O)OC(C)(C)C)c1 ZINC001173885372 1132625371 /nfs/dbraw/zinc/62/53/71/1132625371.db2.gz WVNDMDJCIYGCGW-UHFFFAOYSA-N 0 1 299.374 3.903 20 0 CHADMN CC(C)Oc1ccnc(NCc2ccc3c(ccn3C)c2)c1 ZINC001154804344 1132625400 /nfs/dbraw/zinc/62/54/00/1132625400.db2.gz TWZVHWDYLMLYQM-UHFFFAOYSA-N 0 1 295.386 3.973 20 0 CHADMN Fc1cc(Cl)c(Nc2ccncc2)c(C2CC2)c1 ZINC001173885033 1132625645 /nfs/dbraw/zinc/62/56/45/1132625645.db2.gz FKDGEMARNYIWFW-UHFFFAOYSA-N 0 1 262.715 3.917 20 0 CHADMN CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCN2C(C)(C)C)CC1 ZINC001154886689 1132629461 /nfs/dbraw/zinc/62/94/61/1132629461.db2.gz VYHMBGSELRQNAM-OAGGEKHMSA-N 0 1 294.483 3.580 20 0 CHADMN Cc1cc(NC2=CCCC2)ncc1Br ZINC001173997233 1132669942 /nfs/dbraw/zinc/66/99/42/1132669942.db2.gz UVEJHQFAYFTVNU-UHFFFAOYSA-N 0 1 253.143 3.632 20 0 CHADMN Cc1ccc(NCc2cnccc2C(F)(F)F)nc1C ZINC001154900450 1132631119 /nfs/dbraw/zinc/63/11/19/1132631119.db2.gz NFKVEBBZPANXSH-UHFFFAOYSA-N 0 1 281.281 3.724 20 0 CHADMN C[C@H]1CCCN(Cc2cn3c(cccc3Cl)n2)C[C@H]1C ZINC001233550909 1132634856 /nfs/dbraw/zinc/63/48/56/1132634856.db2.gz MCQKJUQESJRMCA-QWHCGFSZSA-N 0 1 291.826 3.856 20 0 CHADMN Clc1cccc2nc(CN3CC[C@@H]4CCC[C@H]4C3)cn21 ZINC001233563819 1132638910 /nfs/dbraw/zinc/63/89/10/1132638910.db2.gz ROXCEGYKJYSOBH-STQMWFEESA-N 0 1 289.810 3.610 20 0 CHADMN C[C@@H](Oc1n[nH]c(=O)cc1Cl)c1ccccc1Cl ZINC001233585211 1132642016 /nfs/dbraw/zinc/64/20/16/1132642016.db2.gz AVXCGYJFOGTYRT-SSDOTTSWSA-N 0 1 285.130 3.629 20 0 CHADMN O=c1cc(Cl)c(O[C@@H]2CCc3cc(Cl)ccc32)n[nH]1 ZINC001233586862 1132642330 /nfs/dbraw/zinc/64/23/30/1132642330.db2.gz JSYLHUSBLYNPMA-LLVKDONJSA-N 0 1 297.141 3.555 20 0 CHADMN COc1ccc(C(C)=O)c(Nc2ccccc2CN(C)C)c1 ZINC001173930561 1132645038 /nfs/dbraw/zinc/64/50/38/1132645038.db2.gz IUJIZQGNYOFDDM-UHFFFAOYSA-N 0 1 298.386 3.703 20 0 CHADMN COc1cc2nc(NC(=N)C(C)(C)C)ccc2c(OC)c1 ZINC001155181371 1132646095 /nfs/dbraw/zinc/64/60/95/1132646095.db2.gz GGVBECILZRLMSH-UHFFFAOYSA-N 0 1 287.363 3.687 20 0 CHADMN C[NH+](C)Cc1ccccc1Nc1cc([O-])c(Cl)cc1F ZINC001173932331 1132646770 /nfs/dbraw/zinc/64/67/70/1132646770.db2.gz RYFJSJQVOPPOQL-UHFFFAOYSA-N 0 1 294.757 3.990 20 0 CHADMN COc1cccc2c1CN(Cc1cc(C)c(C)s1)CC2 ZINC001233655104 1132657041 /nfs/dbraw/zinc/65/70/41/1132657041.db2.gz IDOJQLZFQGVJDZ-UHFFFAOYSA-N 0 1 287.428 3.932 20 0 CHADMN Cc1cc(CN2CCOc3ccccc3C2)sc1C ZINC001233684682 1132663397 /nfs/dbraw/zinc/66/33/97/1132663397.db2.gz LCYNVCGCPDJPCF-UHFFFAOYSA-N 0 1 273.401 3.760 20 0 CHADMN O=C(c1cccc2cncn21)N1CCC[C@H]1C1CCCCC1 ZINC001155793726 1132664926 /nfs/dbraw/zinc/66/49/26/1132664926.db2.gz WYFUSQHPDWJDED-INIZCTEOSA-N 0 1 297.402 3.519 20 0 CHADMN COc1ccnc(NC(C)(C)Cc2ccc(F)cc2)c1 ZINC001155961806 1132673652 /nfs/dbraw/zinc/67/36/52/1132673652.db2.gz LANMSNQZNBEDQT-UHFFFAOYSA-N 0 1 274.339 3.663 20 0 CHADMN CNc1ccc(CNc2ccc3c(n2)CCCC3)cc1 ZINC001156139513 1132683480 /nfs/dbraw/zinc/68/34/80/1132683480.db2.gz YSBMRVUWDPVKSW-UHFFFAOYSA-N 0 1 267.376 3.614 20 0 CHADMN CC(CC(=O)OC(C)C)=Nc1nccc2ccc(F)cc21 ZINC001156513832 1132700247 /nfs/dbraw/zinc/70/02/47/1132700247.db2.gz DGCTZSROTNHHDS-FLIBITNWSA-N 0 1 288.322 3.641 20 0 CHADMN c1cn2cc(Nc3cncc4ccccc43)ccc2n1 ZINC001174098602 1132715868 /nfs/dbraw/zinc/71/58/68/1132715868.db2.gz RFVSADGGLUIYDK-UHFFFAOYSA-N 0 1 260.300 3.626 20 0 CHADMN CCCCCC[C@H](C)C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001157118604 1132722447 /nfs/dbraw/zinc/72/24/47/1132722447.db2.gz DCUHLBZSNSTWNV-ZDUSSCGKSA-N 0 1 279.428 3.756 20 0 CHADMN CCC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(C)[nH]n1)C(C)C ZINC001157198387 1132723885 /nfs/dbraw/zinc/72/38/85/1132723885.db2.gz AKHXILIWGOTKBC-GDBMZVCRSA-N 0 1 291.439 3.844 20 0 CHADMN Cc1ccc2ccnc(N(C(=N)N)c3ccc(F)cc3)c2c1 ZINC001157226917 1132725502 /nfs/dbraw/zinc/72/55/02/1132725502.db2.gz YCWWMIXSERRRGY-UHFFFAOYSA-N 0 1 294.333 3.714 20 0 CHADMN Cc1ccncc1Nc1ccncc1Oc1ccccc1 ZINC001174115255 1132730793 /nfs/dbraw/zinc/73/07/93/1132730793.db2.gz ISICKJCQSHKGTK-UHFFFAOYSA-N 0 1 277.327 3.743 20 0 CHADMN Cc1ccc2cc(Cl)nc(NC3CN(C(C)C)C3)c2c1 ZINC001157532119 1132734033 /nfs/dbraw/zinc/73/40/33/1132734033.db2.gz SOYXHVPIJFJISE-UHFFFAOYSA-N 0 1 289.810 3.701 20 0 CHADMN Cc1cnc(NCc2ccc(F)c(Cl)c2F)c(N)c1 ZINC001157709605 1132738779 /nfs/dbraw/zinc/73/87/79/1132738779.db2.gz NZUQFNKZOMACCH-UHFFFAOYSA-N 0 1 283.709 3.516 20 0 CHADMN Cn1ccnc1Nc1cc(F)ccc1OCc1ccccc1 ZINC001174119804 1132752937 /nfs/dbraw/zinc/75/29/37/1132752937.db2.gz KWVSDMMEXHKPJG-UHFFFAOYSA-N 0 1 297.333 3.882 20 0 CHADMN Cc1cccn2cc(CNc3ccc4c(n3)CCCC4)nc12 ZINC001158154282 1132765058 /nfs/dbraw/zinc/76/50/58/1132765058.db2.gz JTXPBKCMQKZING-UHFFFAOYSA-N 0 1 292.386 3.529 20 0 CHADMN c1cn2cc(Nc3cccnc3C3CCC3)ccc2n1 ZINC001174279196 1132768837 /nfs/dbraw/zinc/76/88/37/1132768837.db2.gz WVCYIPKUXSEUGV-UHFFFAOYSA-N 0 1 264.332 3.740 20 0 CHADMN CCN(C)c1cc(C)nc(N[C@H]2C[C@@H](C)c3ccccc32)n1 ZINC001158466106 1132776397 /nfs/dbraw/zinc/77/63/97/1132776397.db2.gz CVQCFZMVMSORRN-WBMJQRKESA-N 0 1 296.418 3.902 20 0 CHADMN C[C@H]1C[C@@H](Nc2nc(Cl)nc3[nH]cnc32)c2ccccc21 ZINC001158469510 1132778227 /nfs/dbraw/zinc/77/82/27/1132778227.db2.gz UARSACQBCJEBGM-GZMMTYOYSA-N 0 1 299.765 3.667 20 0 CHADMN Cc1cnc(NC[C@@H](C)c2ccc(O)cc2)cc1C ZINC001158607497 1132784985 /nfs/dbraw/zinc/78/49/85/1132784985.db2.gz NEWKPUCFSXDRFH-CYBMUJFWSA-N 0 1 256.349 3.620 20 0 CHADMN CSc1ccccc1Nc1ccc2nccn2c1 ZINC001174276827 1132785631 /nfs/dbraw/zinc/78/56/31/1132785631.db2.gz RBYVVDVDLGVTSJ-UHFFFAOYSA-N 0 1 255.346 3.800 20 0 CHADMN Cc1nc2ccc(Nc3ccc4nccn4c3)cc2o1 ZINC001174278410 1132786287 /nfs/dbraw/zinc/78/62/87/1132786287.db2.gz CRZXOBYOGBYPOL-UHFFFAOYSA-N 0 1 264.288 3.528 20 0 CHADMN COc1ccc2cc(Nc3ccc4nccn4c3)ccc2n1 ZINC001174277893 1132786470 /nfs/dbraw/zinc/78/64/70/1132786470.db2.gz MMSYUAJWBAWXRH-UHFFFAOYSA-N 0 1 290.326 3.635 20 0 CHADMN c1ccn(-c2ccccc2Nc2ccc3nccn3c2)c1 ZINC001174278808 1132787630 /nfs/dbraw/zinc/78/76/30/1132787630.db2.gz JBDYOYZILOCMCC-UHFFFAOYSA-N 0 1 274.327 3.869 20 0 CHADMN O=C(Nc1cccc2[nH]nnc21)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC001158816559 1132793795 /nfs/dbraw/zinc/79/37/95/1132793795.db2.gz FLQSILOFWBFVMI-FRRDWIJNSA-N 0 1 298.390 3.503 20 0 CHADMN CN(c1cc(Cl)nc2[nH]cnc21)[C@H]1CCc2ccccc21 ZINC001158921603 1132799363 /nfs/dbraw/zinc/79/93/63/1132799363.db2.gz MKESNRDIGFDRBI-LBPRGKRZSA-N 0 1 298.777 3.735 20 0 CHADMN Fc1ccc2nc(Nc3cccc4[nH]ncc43)oc2c1 ZINC001174341928 1132799722 /nfs/dbraw/zinc/79/97/22/1132799722.db2.gz BCZNVOLRJVOHKL-UHFFFAOYSA-N 0 1 268.251 3.587 20 0 CHADMN Cc1cnc(Cl)cc1Nc1cccc2[nH]ncc21 ZINC001174343326 1132801571 /nfs/dbraw/zinc/80/15/71/1132801571.db2.gz LIPCUJYKASLWPO-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN CC(C)c1c(Cl)ncnc1Nc1cccc2[nH]ncc21 ZINC001174344513 1132801779 /nfs/dbraw/zinc/80/17/79/1132801779.db2.gz DTCLXWQFNOOMDT-UHFFFAOYSA-N 0 1 287.754 3.873 20 0 CHADMN Cc1nc(Cl)ccc1Nc1cccc2[nH]ncc21 ZINC001174343367 1132801947 /nfs/dbraw/zinc/80/19/47/1132801947.db2.gz MTHNBFJMFDAQSD-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN COc1cccc2ncc(Nc3cccc4[nH]ncc43)cc21 ZINC001174343442 1132802680 /nfs/dbraw/zinc/80/26/80/1132802680.db2.gz SLIVIUSZIMLUQQ-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN Cc1cc(=O)c2ccc(Nc3cccc4[nH]ncc43)cc2o1 ZINC001174345011 1132803132 /nfs/dbraw/zinc/80/31/32/1132803132.db2.gz JPZCAGMRLVGBLZ-UHFFFAOYSA-N 0 1 291.310 3.721 20 0 CHADMN CCOC(=O)c1ccc(F)c(Nc2cccc3[nH]ncc32)c1 ZINC001174345700 1132803843 /nfs/dbraw/zinc/80/38/43/1132803843.db2.gz NNNHOPUPFUEUTJ-UHFFFAOYSA-N 0 1 299.305 3.622 20 0 CHADMN Nc1cccc(C(F)(F)F)c1Nc1cccc2[nH]ncc21 ZINC001174344952 1132804411 /nfs/dbraw/zinc/80/44/11/1132804411.db2.gz GQZVNRWCMPHRJS-UHFFFAOYSA-N 0 1 292.264 3.908 20 0 CHADMN COC(=O)c1ccc(C)c(Nc2cccc3[nH]ncc32)c1C ZINC001174345367 1132805007 /nfs/dbraw/zinc/80/50/07/1132805007.db2.gz WVKVPOMNVBKTQI-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1ccc(NC2=CCCN(Cc3ccccc3)C2)c(F)n1 ZINC001174392707 1132808296 /nfs/dbraw/zinc/80/82/96/1132808296.db2.gz IHTYVMMNNJQIPW-UHFFFAOYSA-N 0 1 297.377 3.731 20 0 CHADMN Cc1cccc2ncc(Nc3ccnc(C(F)(F)F)c3)n21 ZINC001174362200 1132819180 /nfs/dbraw/zinc/81/91/80/1132819180.db2.gz CSYAPDRGLJGTKV-UHFFFAOYSA-N 0 1 292.264 3.800 20 0 CHADMN CCOc1ccccc1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159309379 1132827697 /nfs/dbraw/zinc/82/76/97/1132827697.db2.gz TXAANGANNSHFCL-LBPRGKRZSA-N 0 1 287.363 3.632 20 0 CHADMN Cn1ccc2cc(Nc3cc([C@@H]4CCCCN4)no3)ccc21 ZINC001159307651 1132827707 /nfs/dbraw/zinc/82/77/07/1132827707.db2.gz CGHFXIOVJHLGMF-AWEZNQCLSA-N 0 1 296.374 3.725 20 0 CHADMN COc1ccc(Nc2cc([C@@H]3CCCCN3)no2)c(C)c1 ZINC001159309320 1132827871 /nfs/dbraw/zinc/82/78/71/1132827871.db2.gz SRYKIUOYYDBKNZ-AWEZNQCLSA-N 0 1 287.363 3.550 20 0 CHADMN Cc1ccc(Nc2cc([C@H]3CCCCN3)no2)cc1 ZINC001159309248 1132828047 /nfs/dbraw/zinc/82/80/47/1132828047.db2.gz RSAUYTNEWSFKEC-CYBMUJFWSA-N 0 1 257.337 3.541 20 0 CHADMN Cc1cc(Nc2cc([C@H]3CCCCN3)no2)ccc1F ZINC001159308886 1132828719 /nfs/dbraw/zinc/82/87/19/1132828719.db2.gz NWLZPNPFZXREID-CYBMUJFWSA-N 0 1 275.327 3.680 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc2c(c1)NCC2 ZINC001159431210 1132843331 /nfs/dbraw/zinc/84/33/31/1132843331.db2.gz XYPGZYDKSSJIIG-UHFFFAOYSA-N 0 1 291.354 3.955 20 0 CHADMN Oc1ccc2ncc(Nc3ccc4c[nH]nc4c3)cc2c1 ZINC001174499016 1132864030 /nfs/dbraw/zinc/86/40/30/1132864030.db2.gz WLKCZHWUZCIUNB-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN COc1cc(F)c(Nc2cccc3[nH]ncc32)cc1F ZINC001159574395 1132864488 /nfs/dbraw/zinc/86/44/88/1132864488.db2.gz PVMIKQIRUKVTTQ-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN COc1ccc(C)c(F)c1Nc1cccc2[nH]ncc21 ZINC001159574347 1132864785 /nfs/dbraw/zinc/86/47/85/1132864785.db2.gz CSIJMNWMIXUDAL-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1ccc(-n2nccc2Nc2ccc3c[nH]nc3c2)cc1 ZINC001174498881 1132864988 /nfs/dbraw/zinc/86/49/88/1132864988.db2.gz URDDFKCSIFDIAK-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Oc1ccc(Nc2cccc3[nH]ncc32)c(Cl)c1 ZINC001159575312 1132866368 /nfs/dbraw/zinc/86/63/68/1132866368.db2.gz WIDNRIPEJJHBPE-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN Clc1ccc(Nc2cccc3[nH]ncc32)c2c[nH]nc21 ZINC001159575321 1132867678 /nfs/dbraw/zinc/86/76/78/1132867678.db2.gz WORDVIYJSZXWBS-UHFFFAOYSA-N 0 1 283.722 3.836 20 0 CHADMN CC(C)OC(=O)c1ccc(Nc2ccc3c[nH]nc3c2)cc1 ZINC001174500002 1132883166 /nfs/dbraw/zinc/88/31/66/1132883166.db2.gz HMDVPPUQMUKTBF-UHFFFAOYSA-N 0 1 295.342 3.872 20 0 CHADMN CCOc1cccc(Nc2ccc3c[nH]nc3c2)c1F ZINC001159662002 1132885318 /nfs/dbraw/zinc/88/53/18/1132885318.db2.gz NUIQNUZLMDQPRL-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN CCOC(=O)c1ccc(Nc2ccc3c[nH]nc3c2)cc1C ZINC001159662912 1132886479 /nfs/dbraw/zinc/88/64/79/1132886479.db2.gz LCLJNCOOFGNQRD-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN COc1c(F)c(F)ccc1Nc1ccc2c[nH]nc2c1 ZINC001159662913 1132886794 /nfs/dbraw/zinc/88/67/94/1132886794.db2.gz LCSJQTNNVCZKMJ-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN Clc1ccc(Nc2ccc3c[nH]nc3c2)c2n[nH]cc21 ZINC001159663353 1132887544 /nfs/dbraw/zinc/88/75/44/1132887544.db2.gz XPKAREZQWIXHBO-UHFFFAOYSA-N 0 1 283.722 3.836 20 0 CHADMN c1[nH]nc2cc(Nc3ccccc3OC3CC3)ccc12 ZINC001159662817 1132888460 /nfs/dbraw/zinc/88/84/60/1132888460.db2.gz GBZRKPPQRSNJBB-UHFFFAOYSA-N 0 1 265.316 3.848 20 0 CHADMN Cc1cc(F)cc(Nc2ccccc2N2CCN(C)CC2)c1 ZINC001174528628 1132890436 /nfs/dbraw/zinc/89/04/36/1132890436.db2.gz IMGWBBDDHVURQI-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN COc1cccc(Cl)c1Nc1ccc2c[nH]nc2c1 ZINC001174501428 1132902205 /nfs/dbraw/zinc/90/22/05/1132902205.db2.gz RXTIXXXQZQZZLM-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN Cc1ccc(Nc2ccc3c[nH]nc3c2)c(Cl)c1O ZINC001174501205 1132902581 /nfs/dbraw/zinc/90/25/81/1132902581.db2.gz HJMJTYRXZJJDGP-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Oc1cc(Cl)ccc1Nc1ccc2c[nH]nc2c1 ZINC001174501581 1132902719 /nfs/dbraw/zinc/90/27/19/1132902719.db2.gz AABUJPHTRHSJMV-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN Cc1cc(C)c(Nc2ccc3c[nH]nc3c2)c(C)c1N ZINC001174501919 1132902785 /nfs/dbraw/zinc/90/27/85/1132902785.db2.gz NOFWPJCYSVGYDP-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN Cc1nn(C)c2ccc(Nc3ccc4c[nH]nc4c3)cc12 ZINC001174501950 1132902805 /nfs/dbraw/zinc/90/28/05/1132902805.db2.gz OZZGRKBFXRWYAW-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Oc1ccc2c(c1)C[C@H](Nc1ccc3c(n1)CCCC3)CC2 ZINC001159893335 1132919230 /nfs/dbraw/zinc/91/92/30/1132919230.db2.gz YJQOVVXRSBMEOY-MRXNPFEDSA-N 0 1 294.398 3.635 20 0 CHADMN CN(C)Cc1cccc(Nc2cc(N)ccc2Cl)c1F ZINC001159879228 1132919515 /nfs/dbraw/zinc/91/95/15/1132919515.db2.gz JOCRBBNZDREOTC-UHFFFAOYSA-N 0 1 293.773 3.867 20 0 CHADMN CC[NH2+]Cc1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001159961829 1132929300 /nfs/dbraw/zinc/92/93/00/1132929300.db2.gz AOYSJHQJZQLMJK-UHFFFAOYSA-N 0 1 278.302 3.524 20 0 CHADMN c1coc(-c2nnc(Nc3cccc4[nH]ccc43)o2)c1 ZINC001174644933 1132937815 /nfs/dbraw/zinc/93/78/15/1132937815.db2.gz SOSRCIQETHBOID-UHFFFAOYSA-N 0 1 266.260 3.555 20 0 CHADMN COc1cc(Nc2cccc3cc[nH+]cc32)ccc1C(=O)[O-] ZINC001174685670 1132947048 /nfs/dbraw/zinc/94/70/48/1132947048.db2.gz ZOAFWDBWJDTNPU-UHFFFAOYSA-N 0 1 294.310 3.685 20 0 CHADMN Fc1ccc2[nH]ccc2c1Nc1ccc2nc[nH]c2c1 ZINC001160224387 1132949724 /nfs/dbraw/zinc/94/97/24/1132949724.db2.gz QODUJMPOZQCVDB-UHFFFAOYSA-N 0 1 266.279 3.927 20 0 CHADMN CC(C)N(Cc1n[nH]c(C(C)(C)C)n1)c1cccc(F)c1 ZINC001174734054 1132968045 /nfs/dbraw/zinc/96/80/45/1132968045.db2.gz FCXTVCUAVHUCPT-UHFFFAOYSA-N 0 1 290.386 3.656 20 0 CHADMN c1[nH]c2ccccc2c1CCNc1ccc2c(n1)CCC2 ZINC001160775598 1132980618 /nfs/dbraw/zinc/98/06/18/1132980618.db2.gz LGCRZPNASRZXHG-UHFFFAOYSA-N 0 1 277.371 3.706 20 0 CHADMN CC[C@@H](Nc1nccc2cc(OC)ccc21)C(F)(F)F ZINC001161375117 1132999328 /nfs/dbraw/zinc/99/93/28/1132999328.db2.gz SYRBCHKXKGHMSM-GFCCVEGCSA-N 0 1 284.281 3.996 20 0 CHADMN Cc1cc2c(ccc(N)c2F)n1-c1cccc2nc[nH]c21 ZINC001213033343 1133004382 /nfs/dbraw/zinc/00/43/82/1133004382.db2.gz AQWKVGLALUKEKP-UHFFFAOYSA-N 0 1 280.306 3.537 20 0 CHADMN COc1ncccc1[C@@H](Nc1ccc2c(n1)CCC2)C1CC1 ZINC001161783446 1133028747 /nfs/dbraw/zinc/02/87/47/1133028747.db2.gz PCRXGMDTBRUAPY-KRWDZBQOSA-N 0 1 295.386 3.537 20 0 CHADMN Cc1nc2c(nc(Cl)nc2NC(C)(C)CC2CCC2)[nH]1 ZINC001161846413 1133035138 /nfs/dbraw/zinc/03/51/38/1133035138.db2.gz GRWPHMLZJXMJFD-UHFFFAOYSA-N 0 1 293.802 3.695 20 0 CHADMN CCC[C@@H]1CCCC[C@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC001161843405 1133035749 /nfs/dbraw/zinc/03/57/49/1133035749.db2.gz GVTLCJXNLXLCOW-KGLIPLIRSA-N 0 1 299.418 3.899 20 0 CHADMN Cc1nc2cc(NCc3nc4ccccc4o3)ccc2[nH]1 ZINC001161969325 1133045179 /nfs/dbraw/zinc/04/51/79/1133045179.db2.gz RXVAUACYECYOHV-UHFFFAOYSA-N 0 1 278.315 3.625 20 0 CHADMN CC(C)(C)N1CC(Nc2cc(-c3ccccc3)ccn2)C1 ZINC001162221380 1133060703 /nfs/dbraw/zinc/06/07/03/1133060703.db2.gz LUMLSJPOVCQUMZ-UHFFFAOYSA-N 0 1 281.403 3.643 20 0 CHADMN Cc1ccnc(NCc2cnccc2C(F)(F)F)c1C ZINC001162287902 1133067090 /nfs/dbraw/zinc/06/70/90/1133067090.db2.gz RJPWDAMLDDPCBU-UHFFFAOYSA-N 0 1 281.281 3.724 20 0 CHADMN F[C@@H]1CCCC[C@H]1Nc1cc(OCC(F)(F)F)ccn1 ZINC001162514049 1133083990 /nfs/dbraw/zinc/08/39/90/1133083990.db2.gz KTJWYECOVFCDBP-GHMZBOCLSA-N 0 1 292.276 3.715 20 0 CHADMN CC1(C)CCC(Nc2ccncc2C(F)(F)F)CC1 ZINC001162604969 1133093478 /nfs/dbraw/zinc/09/34/78/1133093478.db2.gz DSORJZUNEKYLRA-UHFFFAOYSA-N 0 1 272.314 3.903 20 0 CHADMN CC[C@@H](C)C[C@H](C)Nc1ccncc1C(F)(F)F ZINC001162605412 1133094146 /nfs/dbraw/zinc/09/41/46/1133094146.db2.gz NCLNUWMLMBJGTA-ZJUUUORDSA-N 0 1 260.303 3.759 20 0 CHADMN C[C@H]1CCCCN1c1cccc(NC(=N)C(C)(C)C)n1 ZINC001162661962 1133101558 /nfs/dbraw/zinc/10/15/58/1133101558.db2.gz JPJPNRLUHUBZLR-LBPRGKRZSA-N 0 1 274.412 3.896 20 0 CHADMN Cc1cc(NC(=N)C(C)(C)C)ncc1C(F)(F)F ZINC001162657467 1133101727 /nfs/dbraw/zinc/10/17/27/1133101727.db2.gz LLVABQKDGALJKU-UHFFFAOYSA-N 0 1 259.275 3.844 20 0 CHADMN Cn1cccc1CNc1cc(OCc2ccccc2)ccn1 ZINC001162704362 1133104960 /nfs/dbraw/zinc/10/49/60/1133104960.db2.gz PDZRTAOIRBFIQE-UHFFFAOYSA-N 0 1 293.370 3.611 20 0 CHADMN Cc1cnc(NCc2cncc3ccccc32)c(C)c1 ZINC001162747588 1133107891 /nfs/dbraw/zinc/10/78/91/1133107891.db2.gz MBLNMTURDHKCBF-UHFFFAOYSA-N 0 1 263.344 3.859 20 0 CHADMN CCN(C)c1cc(C)nc(N[C@H]2CCc3ccc(C)cc32)n1 ZINC001162823211 1133114830 /nfs/dbraw/zinc/11/48/30/1133114830.db2.gz RAVAXCPRAASLDZ-INIZCTEOSA-N 0 1 296.418 3.649 20 0 CHADMN CCOc1ccnc(N[C@@H](C)c2ccc(NC(C)=O)cc2)c1 ZINC001163149067 1133131366 /nfs/dbraw/zinc/13/13/66/1133131366.db2.gz HXFKCZYWPHSOKS-LBPRGKRZSA-N 0 1 299.374 3.612 20 0 CHADMN Cc1ccc(N[C@H]2CCCc3ccncc32)nc1C ZINC001163165483 1133132133 /nfs/dbraw/zinc/13/21/33/1133132133.db2.gz GPULGPYLCGXYCR-HNNXBMFYSA-N 0 1 253.349 3.583 20 0 CHADMN Cc1cnc(NCc2cccc(C(F)(F)F)n2)c(C)c1 ZINC001163181378 1133134277 /nfs/dbraw/zinc/13/42/77/1133134277.db2.gz ULGFRSVUVYFORA-UHFFFAOYSA-N 0 1 281.281 3.724 20 0 CHADMN Cc1cnc(N[C@H]2CCc3c2cccc3O)cc1C ZINC001163194448 1133135171 /nfs/dbraw/zinc/13/51/71/1133135171.db2.gz CNJQURRHMGFGGL-AWEZNQCLSA-N 0 1 254.333 3.503 20 0 CHADMN CCOC(=O)CC(=N)Nc1cc(C)cc(C(C)(C)C)c1 ZINC001163449427 1133149992 /nfs/dbraw/zinc/14/99/92/1133149992.db2.gz WUXLGYLQDLNUAI-UHFFFAOYSA-N 0 1 276.380 3.635 20 0 CHADMN CC(C)(CNc1ccncc1C(F)(F)F)c1ccccc1 ZINC001163686129 1133165514 /nfs/dbraw/zinc/16/55/14/1133165514.db2.gz NNYVUFMNAFUWTD-UHFFFAOYSA-N 0 1 294.320 3.912 20 0 CHADMN C[C@H]1c2ccccc2C[C@H]1Nc1ccncc1C(F)(F)F ZINC001163690217 1133165771 /nfs/dbraw/zinc/16/57/71/1133165771.db2.gz LYIHWRHVKUHLDW-ZUZCIYMTSA-N 0 1 292.304 3.663 20 0 CHADMN CCOc1cccc(CCNc2ccc3nc[nH]c3c2)c1 ZINC001163713751 1133167593 /nfs/dbraw/zinc/16/75/93/1133167593.db2.gz FWCDCRIVAPEEDH-UHFFFAOYSA-N 0 1 281.359 3.616 20 0 CHADMN CN1CCN(C(=O)C(C)(C)CC(C)(C)C)C[C@@H]1C(C)(C)C ZINC001163930246 1133184480 /nfs/dbraw/zinc/18/44/80/1133184480.db2.gz PTOVWZZTODAQLC-CQSZACIVSA-N 0 1 296.499 3.638 20 0 CHADMN C[C@H](Nc1ncc2nc[nH]c2n1)c1ccc2ccccc2c1 ZINC001164139259 1133200529 /nfs/dbraw/zinc/20/05/29/1133200529.db2.gz NPQTXDGVYSZPCI-NSHDSACASA-N 0 1 289.342 3.631 20 0 CHADMN COc1ccc(CCCNc2nccc(C)c2C)cc1 ZINC001164190347 1133204081 /nfs/dbraw/zinc/20/40/81/1133204081.db2.gz QWJWAQZCKVKQGY-UHFFFAOYSA-N 0 1 270.376 3.752 20 0 CHADMN COc1ccc(CCCNc2ccc3[nH]c(C)nc3c2)cc1 ZINC001164191746 1133204222 /nfs/dbraw/zinc/20/42/22/1133204222.db2.gz BMEGPHMDTSZYJZ-UHFFFAOYSA-N 0 1 295.386 3.925 20 0 CHADMN Cc1ccc(CNc2ccncc2C(F)(F)F)cc1F ZINC001164200527 1133206116 /nfs/dbraw/zinc/20/61/16/1133206116.db2.gz CLNYOTXXSAGBFN-UHFFFAOYSA-N 0 1 284.256 3.582 20 0 CHADMN Cc1ccnc(NCc2cnc3ccccc3c2)c1C ZINC001164196982 1133206719 /nfs/dbraw/zinc/20/67/19/1133206719.db2.gz JKKODZFBNADKGQ-UHFFFAOYSA-N 0 1 263.344 3.859 20 0 CHADMN COC(=O)C(C)(C)CSc1nc2ccc(Cl)cc2[nH]1 ZINC001164447725 1133218756 /nfs/dbraw/zinc/21/87/56/1133218756.db2.gz JGZIVOQAAZAVMH-UHFFFAOYSA-N 0 1 298.795 3.508 20 0 CHADMN Clc1ccc2nc(SC[C@H]3C[C@@]34CCOC4)[nH]c2c1 ZINC001164448536 1133218909 /nfs/dbraw/zinc/21/89/09/1133218909.db2.gz VRVNBONFXIEMMB-YMTOWFKASA-N 0 1 294.807 3.735 20 0 CHADMN Clc1ccc2nc(SC[C@@H]3C[C@@]34CCOC4)[nH]c2c1 ZINC001164448533 1133219017 /nfs/dbraw/zinc/21/90/17/1133219017.db2.gz VRVNBONFXIEMMB-LKFCYVNXSA-N 0 1 294.807 3.735 20 0 CHADMN CC(C)[C@H](O)CCSc1nc2ccc(Cl)cc2[nH]1 ZINC001164446961 1133219087 /nfs/dbraw/zinc/21/90/87/1133219087.db2.gz CAYKPHYEBMLACP-GFCCVEGCSA-N 0 1 284.812 3.715 20 0 CHADMN CCOc1ccc2nc(SCc3ccncc3C)[nH]c2c1 ZINC001164578963 1133224868 /nfs/dbraw/zinc/22/48/68/1133224868.db2.gz BOXLHVKUWCIYAQ-UHFFFAOYSA-N 0 1 299.399 3.957 20 0 CHADMN CCOC(=O)c1c(C)[nH]nc1CSCC1CCCCC1 ZINC001165570855 1133244828 /nfs/dbraw/zinc/24/48/28/1133244828.db2.gz UTWVCYKAVMUSGF-UHFFFAOYSA-N 0 1 296.436 3.708 20 0 CHADMN COCC(C)(C)Nc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001166050638 1133257948 /nfs/dbraw/zinc/25/79/48/1133257948.db2.gz WJEQMGJPNXCNKI-UHFFFAOYSA-N 0 1 269.348 3.553 20 0 CHADMN Cc1cc(C)nc(N2CCCC[C@H]2c2cccnc2)c1 ZINC001166575636 1133272340 /nfs/dbraw/zinc/27/23/40/1133272340.db2.gz AMGUYMQPCAWAPB-INIZCTEOSA-N 0 1 267.376 3.825 20 0 CHADMN Cc1cnc(N(C)Cc2ccc(Cl)cc2)cc1C ZINC001166677046 1133280647 /nfs/dbraw/zinc/28/06/47/1133280647.db2.gz GUZXGLPDXMDSIT-UHFFFAOYSA-N 0 1 260.768 3.988 20 0 CHADMN COc1ccc2c(ccnc2N(C)CCc2cccs2)c1 ZINC001166678076 1133281755 /nfs/dbraw/zinc/28/17/55/1133281755.db2.gz HJKDXHWRDTZCOL-UHFFFAOYSA-N 0 1 298.411 3.984 20 0 CHADMN CCCn1cc(CN[C@H](c2ccccn2)C2CCC2)c(C)n1 ZINC001203181556 1133305657 /nfs/dbraw/zinc/30/56/57/1133305657.db2.gz YNNPSELYQMZUEU-SFHVURJKSA-N 0 1 298.434 3.628 20 0 CHADMN COc1nsc(CN[C@@H]2CC23CCCCC3)c1Cl ZINC001203263171 1133308485 /nfs/dbraw/zinc/30/84/85/1133308485.db2.gz GDZUDLXJGXOCEF-SNVBAGLBSA-N 0 1 286.828 3.618 20 0 CHADMN F[C@H]1CCCC[C@H]1NCc1cnc(CC(F)(F)F)s1 ZINC001203314144 1133313551 /nfs/dbraw/zinc/31/35/51/1133313551.db2.gz JYOVXEGKWCDHKI-VHSXEESVSA-N 0 1 296.333 3.618 20 0 CHADMN F[C@H]1CCCC[C@H]1NCc1ccccc1OCC1CC1 ZINC001203314655 1133313763 /nfs/dbraw/zinc/31/37/63/1133313763.db2.gz VKPDWEJAJPNLGA-JKSUJKDBSA-N 0 1 277.383 3.846 20 0 CHADMN FC[C@]1(C(F)(F)F)CCN(Cc2ccccc2F)C1 ZINC001203345910 1133316533 /nfs/dbraw/zinc/31/65/33/1133316533.db2.gz BTVBETNXHFEXNF-GFCCVEGCSA-N 0 1 279.252 3.550 20 0 CHADMN Fc1cccc(Cl)c1CN1CCC2(CCCOC2)CC1 ZINC001203410755 1133323608 /nfs/dbraw/zinc/32/36/08/1133323608.db2.gz LYZHITUWNIVLTD-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN Cc1ccnc(CNCc2c(C)cc(Cl)cc2C)c1 ZINC001203517037 1133333572 /nfs/dbraw/zinc/33/35/72/1133333572.db2.gz JDNQTYOJDGUQOU-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN COc1ccc(OC)c(CN2Cc3ccccc3C[C@@H]2C)c1 ZINC001203531491 1133337336 /nfs/dbraw/zinc/33/73/36/1133337336.db2.gz AZJPDSIVKOETPY-AWEZNQCLSA-N 0 1 297.398 3.651 20 0 CHADMN CCOc1ccccc1CN1CCc2ccc(C)cc2C1 ZINC001203535424 1133338063 /nfs/dbraw/zinc/33/80/63/1133338063.db2.gz UGRTWBGRJQJNKC-UHFFFAOYSA-N 0 1 281.399 3.952 20 0 CHADMN Nc1c(Cl)cccc1CNc1ccc2c(n1)CCCC2 ZINC001203565925 1133341093 /nfs/dbraw/zinc/34/10/93/1133341093.db2.gz MIHVDYHJLPHQOJ-UHFFFAOYSA-N 0 1 287.794 3.808 20 0 CHADMN CCCOc1ccc(Nc2c(C)ncn2C)c(F)c1F ZINC001203695711 1133355470 /nfs/dbraw/zinc/35/54/70/1133355470.db2.gz PUOWCZFLOSHRQH-UHFFFAOYSA-N 0 1 281.306 3.539 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C)nc2)c(C)c1C ZINC001203724043 1133358354 /nfs/dbraw/zinc/35/83/54/1133358354.db2.gz YJHDCOGDANFKQU-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN Fc1cc2[nH]ccc2c(Nc2ccnn2-c2ccncc2)c1 ZINC001203733294 1133361490 /nfs/dbraw/zinc/36/14/90/1133361490.db2.gz DWVHXXOTDLDOSS-UHFFFAOYSA-N 0 1 293.305 3.631 20 0 CHADMN Fc1cccc(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)c1 ZINC001203787154 1133367911 /nfs/dbraw/zinc/36/79/11/1133367911.db2.gz RYMCXHGXQDINHR-GOSISDBHSA-N 0 1 285.362 3.617 20 0 CHADMN Fc1cccc(CN2CC[C@@H](OCc3ccccc3)C2)c1 ZINC001203787154 1133367914 /nfs/dbraw/zinc/36/79/14/1133367914.db2.gz RYMCXHGXQDINHR-GOSISDBHSA-N 0 1 285.362 3.617 20 0 CHADMN F[C@@H]1CCCN(Cc2cc(Br)cs2)CC1 ZINC001204024225 1133397224 /nfs/dbraw/zinc/39/72/24/1133397224.db2.gz WDCKCTGGPZBTHG-SNVBAGLBSA-N 0 1 292.217 3.835 20 0 CHADMN Clc1ccc(OC2CCN(Cc3ccc[nH]3)CC2)cc1 ZINC001204004804 1133397277 /nfs/dbraw/zinc/39/72/77/1133397277.db2.gz IPMZGRATHXYVAX-UHFFFAOYSA-N 0 1 290.794 3.712 20 0 CHADMN COc1cccc([C@H]2CCCCN2Cc2ccc[nH]2)c1 ZINC001204010675 1133399716 /nfs/dbraw/zinc/39/97/16/1133399716.db2.gz UAOKCZLTKAUEFS-QGZVFWFLSA-N 0 1 270.376 3.751 20 0 CHADMN Cc1cccc(C)c1N1CCN(Cc2ccsc2)CC1 ZINC001204043918 1133403509 /nfs/dbraw/zinc/40/35/09/1133403509.db2.gz BDOLDSLYNVSHDF-UHFFFAOYSA-N 0 1 286.444 3.687 20 0 CHADMN Fc1cccc2c1CCN(Cc1c[nH]c3ccccc13)C2 ZINC001204047894 1133403821 /nfs/dbraw/zinc/40/38/21/1133403821.db2.gz IKRDCXBUZUSODI-UHFFFAOYSA-N 0 1 280.346 3.865 20 0 CHADMN C[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccccc21 ZINC001204050921 1133404057 /nfs/dbraw/zinc/40/40/57/1133404057.db2.gz AYKQOIBVKNCCRI-ZDUSSCGKSA-N 0 1 281.355 3.535 20 0 CHADMN C[N@@H+](CCC(=O)c1cccs1)Cc1c[nH]c2ccccc12 ZINC001204045002 1133404275 /nfs/dbraw/zinc/40/42/75/1133404275.db2.gz FQEXLEKBYCPNBT-UHFFFAOYSA-N 0 1 298.411 3.934 20 0 CHADMN Cc1ncccc1CN(C)Cc1ccnc2ccccc12 ZINC001204090587 1133407790 /nfs/dbraw/zinc/40/77/90/1133407790.db2.gz OPHMZDPZKHNMTG-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN c1ccc(-c2ccc(CN3CCOC[C@@H]3C3CC3)cc2)cc1 ZINC001204138264 1133410807 /nfs/dbraw/zinc/41/08/07/1133410807.db2.gz GOLGTXOTJVVRRS-HXUWFJFHSA-N 0 1 293.410 3.964 20 0 CHADMN C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC001204150190 1133412332 /nfs/dbraw/zinc/41/23/32/1133412332.db2.gz AEENELVQLMOJEN-ZDUSSCGKSA-N 0 1 281.355 3.504 20 0 CHADMN FC(F)(F)c1ccc(CN2CC(c3cccnc3)C2)cc1 ZINC001204164377 1133412558 /nfs/dbraw/zinc/41/25/58/1133412558.db2.gz HOMIZEZJDZQDAN-UHFFFAOYSA-N 0 1 292.304 3.700 20 0 CHADMN CC(C)c1ccc(CN2CCN(c3cccnc3)CC2)cc1 ZINC001204166955 1133413101 /nfs/dbraw/zinc/41/31/01/1133413101.db2.gz CGAOSFJJYVUJST-UHFFFAOYSA-N 0 1 295.430 3.527 20 0 CHADMN CCc1ccc(CN2CCc3c(cccc3OC)C2)cc1 ZINC001204179302 1133416124 /nfs/dbraw/zinc/41/61/24/1133416124.db2.gz MLGUEQRQDHDFFW-UHFFFAOYSA-N 0 1 281.399 3.816 20 0 CHADMN CC1(C)OCCC12CCN(Cc1cccc(F)c1F)CC2 ZINC001204201231 1133418488 /nfs/dbraw/zinc/41/84/88/1133418488.db2.gz TYVQVNKQXSEFSB-UHFFFAOYSA-N 0 1 295.373 3.746 20 0 CHADMN COc1ccc(CN2CCCC[C@](C)(F)C2)c(OC)c1C ZINC001204255385 1133425698 /nfs/dbraw/zinc/42/56/98/1133425698.db2.gz JCVLNPKXOKBJMB-KRWDZBQOSA-N 0 1 295.398 3.726 20 0 CHADMN COc1ccc(CN(C)Cc2cccs2)c(OC)c1C ZINC001204261626 1133427063 /nfs/dbraw/zinc/42/70/63/1133427063.db2.gz BONQLXWRUPRISL-UHFFFAOYSA-N 0 1 291.416 3.706 20 0 CHADMN Cn1cc(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)c2ccccc21 ZINC001204316154 1133435602 /nfs/dbraw/zinc/43/56/02/1133435602.db2.gz YNURFOXOPFSMHU-AEFFLSMTSA-N 0 1 296.414 3.512 20 0 CHADMN CCc1ccc(CN2CC[C@@H](C(=O)c3ccccc3)C2)o1 ZINC001204393763 1133442796 /nfs/dbraw/zinc/44/27/96/1133442796.db2.gz FEGVEUQIVKDQOI-OAHLLOKOSA-N 0 1 283.371 3.547 20 0 CHADMN CCCN(C)Cc1c(Cl)cc(Cl)cc1N(C)C ZINC001204421394 1133444642 /nfs/dbraw/zinc/44/46/42/1133444642.db2.gz GIIRVBAHEVBVIM-UHFFFAOYSA-N 0 1 275.223 3.901 20 0 CHADMN F[C@@H]1CCCCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001204414815 1133444690 /nfs/dbraw/zinc/44/46/90/1133444690.db2.gz JBULSTUHQSMZMD-GFCCVEGCSA-N 0 1 291.288 3.909 20 0 CHADMN CCCN(CCOC)Cc1ccc(C(F)(F)F)cc1F ZINC001204463731 1133451422 /nfs/dbraw/zinc/45/14/22/1133451422.db2.gz SGPIBYZTFJYPLZ-UHFFFAOYSA-N 0 1 293.304 3.703 20 0 CHADMN Fc1ccc(CN2CCCC23CC3)c(C(F)(F)F)c1 ZINC001204475916 1133452022 /nfs/dbraw/zinc/45/20/22/1133452022.db2.gz NTSYFRGNRNNRNV-UHFFFAOYSA-N 0 1 273.273 3.973 20 0 CHADMN F[C@H]1CCN(Cc2ccc3ccccc3n2)CCC1(F)F ZINC001204499611 1133453704 /nfs/dbraw/zinc/45/37/04/1133453704.db2.gz IHOLZXUKYCLZAO-HNNXBMFYSA-N 0 1 294.320 3.804 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1cccc(F)c1C)C2 ZINC001204506056 1133455373 /nfs/dbraw/zinc/45/53/73/1133455373.db2.gz BONCIVKUQHNBKY-UHFFFAOYSA-N 0 1 285.362 3.701 20 0 CHADMN COc1ccc2cc(CN3C[C@@H](F)C[C@H]3C)ccc2c1 ZINC001204515276 1133456493 /nfs/dbraw/zinc/45/64/93/1133456493.db2.gz DLUJFADOFDJDBW-WBMJQRKESA-N 0 1 273.351 3.781 20 0 CHADMN Fc1cc(CN2CC[C@@H]3CCC[C@H]3C2)cc(F)c1F ZINC001204525130 1133457329 /nfs/dbraw/zinc/45/73/29/1133457329.db2.gz QISQMACDXOJWSB-RYUDHWBXSA-N 0 1 269.310 3.726 20 0 CHADMN CCOc1ccc(CN(CC)Cc2ccc(OC)cc2)o1 ZINC001204523946 1133458118 /nfs/dbraw/zinc/45/81/18/1133458118.db2.gz MIAKFVQQVVKURJ-UHFFFAOYSA-N 0 1 289.375 3.709 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(F)c(F)c(F)c1 ZINC001204529792 1133458908 /nfs/dbraw/zinc/45/89/08/1133458908.db2.gz OQXIDWFEGOTLTI-NSHDSACASA-N 0 1 257.299 3.868 20 0 CHADMN COc1cc(CN2Cc3ccccc3[C@@H](C)C2)ccc1F ZINC001204555750 1133461398 /nfs/dbraw/zinc/46/13/98/1133461398.db2.gz RMGGWLYKPNWUEA-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN COc1ccc(CN2CCS[C@@H]3CCCC[C@H]32)c(F)c1 ZINC001204543179 1133461431 /nfs/dbraw/zinc/46/14/31/1133461431.db2.gz MFEDOJOFCMMWPA-HZPDHXFCSA-N 0 1 295.423 3.694 20 0 CHADMN COC(=O)CN(CC(C)C)C[C@@H](c1ccccc1)C(C)C ZINC001204664453 1133473287 /nfs/dbraw/zinc/47/32/87/1133473287.db2.gz JCNWAPFOSYQCQS-QGZVFWFLSA-N 0 1 291.435 3.557 20 0 CHADMN CC[C@@](C)(C[N@@H+](C)[C@@H](C)c1cc(F)ccc1F)OC ZINC001204730756 1133479628 /nfs/dbraw/zinc/47/96/28/1133479628.db2.gz VVHVSEOPYWTDDK-NHYWBVRUSA-N 0 1 271.351 3.773 20 0 CHADMN CCNc1ccccc1CN(C)CCC(F)(F)F ZINC001204900191 1133497592 /nfs/dbraw/zinc/49/75/92/1133497592.db2.gz XZHRHNCCRGUMLL-UHFFFAOYSA-N 0 1 260.303 3.503 20 0 CHADMN Cc1c(C)c(-c2cc(N3CCCCC3)ccn2)ccc1CO ZINC001204949709 1133505770 /nfs/dbraw/zinc/50/57/70/1133505770.db2.gz LHDUXYHXYKSAJI-UHFFFAOYSA-N 0 1 296.414 3.848 20 0 CHADMN C[C@H]1CCN(Cc2cc3c(cccc3O)s2)C[C@@H]1F ZINC001204985626 1133512860 /nfs/dbraw/zinc/51/28/60/1133512860.db2.gz YHXDPPOCTLDHNG-GWCFXTLKSA-N 0 1 279.380 3.787 20 0 CHADMN Cc1cc(-c2cc3[nH]cnc3cn2)cc(C)c1Cl ZINC001205036501 1133519089 /nfs/dbraw/zinc/51/90/89/1133519089.db2.gz FDYXWYXNMQWBOF-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN Oc1ccc(-c2ccc3cncn3c2)c(C(F)(F)F)c1 ZINC001205087088 1133526132 /nfs/dbraw/zinc/52/61/32/1133526132.db2.gz MCTVFJGXPATVDG-UHFFFAOYSA-N 0 1 278.233 3.726 20 0 CHADMN CC(C)CCO[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001205085665 1133526582 /nfs/dbraw/zinc/52/65/82/1133526582.db2.gz QHDXEXNRHCKNHV-MRXNPFEDSA-N 0 1 279.399 3.853 20 0 CHADMN CC(C)CCO[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001205085665 1133526585 /nfs/dbraw/zinc/52/65/85/1133526585.db2.gz QHDXEXNRHCKNHV-MRXNPFEDSA-N 0 1 279.399 3.853 20 0 CHADMN Oc1ccc(-c2cccc3cncn32)c(C(F)(F)F)c1 ZINC001205098614 1133528601 /nfs/dbraw/zinc/52/86/01/1133528601.db2.gz RONHMQZXNXRQHI-UHFFFAOYSA-N 0 1 278.233 3.726 20 0 CHADMN CCOc1ccc(CN(C)[C@H](C)c2ccccc2)o1 ZINC001205157285 1133538156 /nfs/dbraw/zinc/53/81/56/1133538156.db2.gz ZJOWFOXMUPWRJK-CYBMUJFWSA-N 0 1 259.349 3.871 20 0 CHADMN Cc1cc(CN2CCCC[C@](C)(F)C2)ccc1F ZINC001205162862 1133540031 /nfs/dbraw/zinc/54/00/31/1133540031.db2.gz XJTAHWDNQDOIJD-HNNXBMFYSA-N 0 1 253.336 3.848 20 0 CHADMN Nc1ccc(Cl)nc1CN1CCC2(CCCCC2)CC1 ZINC001205170626 1133540342 /nfs/dbraw/zinc/54/03/42/1133540342.db2.gz AFAPPUVMQPXLTI-UHFFFAOYSA-N 0 1 293.842 3.864 20 0 CHADMN CCCn1cncc1CN1CCC[C@@H]1c1cccc(OC)c1 ZINC001205170364 1133540384 /nfs/dbraw/zinc/54/03/84/1133540384.db2.gz QAQMYYZNPMAPOK-GOSISDBHSA-N 0 1 299.418 3.639 20 0 CHADMN Nc1ccnc(-c2ccc(Oc3ccccc3)nc2)c1 ZINC001205323169 1133561079 /nfs/dbraw/zinc/56/10/79/1133561079.db2.gz KMLGXHGOMVQIPW-UHFFFAOYSA-N 0 1 263.300 3.518 20 0 CHADMN CN(Cc1cc2c(ccnc2Cl)o1)Cc1cccnc1 ZINC001205334497 1133563675 /nfs/dbraw/zinc/56/36/75/1133563675.db2.gz JDNDKGPZEHWLFW-UHFFFAOYSA-N 0 1 287.750 3.508 20 0 CHADMN Cc1cccc(C2=CCN(Cc3c(C)ccnc3N)CC2)c1 ZINC001205360279 1133569764 /nfs/dbraw/zinc/56/97/64/1133569764.db2.gz RDGRWASIXRBSAE-UHFFFAOYSA-N 0 1 293.414 3.570 20 0 CHADMN COC(=O)c1cc(CN2CCCC(C)(C)C2)[nH]c1C(C)C ZINC001205414451 1133574094 /nfs/dbraw/zinc/57/40/94/1133574094.db2.gz HACHZEASJUKGTF-UHFFFAOYSA-N 0 1 292.423 3.547 20 0 CHADMN FC(F)C1CCN(Cc2ccc(C(F)(F)F)nc2)CC1 ZINC001205442090 1133577846 /nfs/dbraw/zinc/57/78/46/1133577846.db2.gz TUMZQDBUDJCDDP-UHFFFAOYSA-N 0 1 294.267 3.578 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H]2C[C@@H]3CC[C@@H](C3)C2)no1 ZINC001205495442 1133582317 /nfs/dbraw/zinc/58/23/17/1133582317.db2.gz BISSAWCTLDYFLA-FICVDOATSA-N 0 1 297.402 3.713 20 0 CHADMN CCn1cc(CN2CC[C@@H](c3ccccc3Cl)C2)cn1 ZINC001205544606 1133587538 /nfs/dbraw/zinc/58/75/38/1133587538.db2.gz AIKZGQFFHJHLTL-CQSZACIVSA-N 0 1 289.810 3.546 20 0 CHADMN C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](OC2CCCC2)C1 ZINC001205566416 1133587982 /nfs/dbraw/zinc/58/79/82/1133587982.db2.gz CUONWBXNIHPIJR-GOEBONIOSA-N 0 1 274.408 3.566 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)[N@H+](Cc3nccn3C3CC3)C2)cc1 ZINC001205568499 1133589987 /nfs/dbraw/zinc/58/99/87/1133589987.db2.gz JOOHQYDDIALQNN-RDJZCZTQSA-N 0 1 295.430 3.904 20 0 CHADMN Cc1ccc(F)c(CN2CCC3(CC(F)(F)CO3)CC2)c1 ZINC001205616893 1133595385 /nfs/dbraw/zinc/59/53/85/1133595385.db2.gz MIMYPCXRLMELHS-UHFFFAOYSA-N 0 1 299.336 3.524 20 0 CHADMN CC1CN(C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)C1 ZINC001205619829 1133595987 /nfs/dbraw/zinc/59/59/87/1133595987.db2.gz BHFIJORRSVRGIW-CQSZACIVSA-N 0 1 298.471 3.658 20 0 CHADMN CC1CN(C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)C1 ZINC001205619828 1133596628 /nfs/dbraw/zinc/59/66/28/1133596628.db2.gz BHFIJORRSVRGIW-AWEZNQCLSA-N 0 1 298.471 3.658 20 0 CHADMN Cc1c(CN2Cc3ccccc3C3(CCC3)C2)ccnc1F ZINC001205748284 1133608723 /nfs/dbraw/zinc/60/87/23/1133608723.db2.gz XXKZICBRKQIGDU-UHFFFAOYSA-N 0 1 296.389 3.967 20 0 CHADMN C[C@@H]1CCC(C)(C)C[C@@H]1NCc1ncn(-c2ccccc2)n1 ZINC001205988073 1133639352 /nfs/dbraw/zinc/63/93/52/1133639352.db2.gz FBTVHIQFQOVSGW-ZBFHGGJFSA-N 0 1 298.434 3.572 20 0 CHADMN NCc1ncc(/C=C/c2ccc(-c3ccccc3)cc2)cn1 ZINC001206015561 1133642479 /nfs/dbraw/zinc/64/24/79/1133642479.db2.gz DCTOQWRZBQELJU-VOTSOKGWSA-N 0 1 287.366 3.773 20 0 CHADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)ccc1F ZINC001206027598 1133644511 /nfs/dbraw/zinc/64/45/11/1133644511.db2.gz CNGVURUDDOOYOF-PBWFPOADSA-N 0 1 283.774 3.621 20 0 CHADMN CC(C)[C@H]1N(Cc2nc3ccccc3o2)CC12CCC2 ZINC001206032409 1133645076 /nfs/dbraw/zinc/64/50/76/1133645076.db2.gz SPYGTYGUOSWDGE-MRXNPFEDSA-N 0 1 270.376 3.838 20 0 CHADMN CSc1ccc(-c2cccc3[nH]nnc32)c(C)c1 ZINC001206091089 1133655711 /nfs/dbraw/zinc/65/57/11/1133655711.db2.gz RLSMXZIBYJZCAM-UHFFFAOYSA-N 0 1 255.346 3.655 20 0 CHADMN CSc1ccc(-c2cc3[nH]nnc3cc2F)c(C)c1 ZINC001206091461 1133656067 /nfs/dbraw/zinc/65/60/67/1133656067.db2.gz XTVBMTKCJNKEDS-UHFFFAOYSA-N 0 1 273.336 3.794 20 0 CHADMN CCCOc1ccc(-c2nccc3[nH]cnc32)c(F)c1 ZINC001206124452 1133660908 /nfs/dbraw/zinc/66/09/08/1133660908.db2.gz JFGJRTIVXVFQAW-UHFFFAOYSA-N 0 1 271.295 3.553 20 0 CHADMN Cc1nc(C)c(CN2CCSc3ccccc3C2)s1 ZINC001206186176 1133668941 /nfs/dbraw/zinc/66/89/41/1133668941.db2.gz YYAIUYCAFNGHNX-UHFFFAOYSA-N 0 1 290.457 3.868 20 0 CHADMN CC(C)[C@H]1N(Cc2ncccc2F)CC12CCCC2 ZINC001206270357 1133680191 /nfs/dbraw/zinc/68/01/91/1133680191.db2.gz MTQYWLVLMGVLGE-OAHLLOKOSA-N 0 1 262.372 3.621 20 0 CHADMN Cc1c(Cl)ccc(-c2cccc3[nH]nnc32)c1F ZINC001206284660 1133683005 /nfs/dbraw/zinc/68/30/05/1133683005.db2.gz XZCNXCJEFOLOPZ-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN COCc1cc(C)c(-c2nccc3[nH]ccc32)c(C)c1 ZINC001206297157 1133685037 /nfs/dbraw/zinc/68/50/37/1133685037.db2.gz DOKRHNJLUUZWJM-UHFFFAOYSA-N 0 1 266.344 3.993 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2ccnn2C)cc1C ZINC001206365327 1133694693 /nfs/dbraw/zinc/69/46/93/1133694693.db2.gz QOTXNGSUDHJDRB-SFHVURJKSA-N 0 1 283.419 3.764 20 0 CHADMN COc1cnccc1CN1CCCC[C@H]1c1ccccc1 ZINC001206437875 1133702204 /nfs/dbraw/zinc/70/22/04/1133702204.db2.gz DOBHSSULHYPCBN-KRWDZBQOSA-N 0 1 282.387 3.817 20 0 CHADMN CC(C)(C)Oc1ncccc1Nc1noc(C(C)(C)C)n1 ZINC001206487534 1133709508 /nfs/dbraw/zinc/70/95/08/1133709508.db2.gz FOZOLPCVSBZEKW-UHFFFAOYSA-N 0 1 290.367 3.683 20 0 CHADMN Cc1nc(-c2cc3n[nH]cc3c(F)c2)cc2[nH]ccc21 ZINC001206557837 1133718106 /nfs/dbraw/zinc/71/81/06/1133718106.db2.gz UGIAKFQCVYRBAM-UHFFFAOYSA-N 0 1 266.279 3.554 20 0 CHADMN C[C@@H](c1nccc2ccccc21)N1CCC[C@H](F)C1 ZINC001206560920 1133718140 /nfs/dbraw/zinc/71/81/40/1133718140.db2.gz YCVQKSAZGKWTFI-JSGCOSHPSA-N 0 1 258.340 3.730 20 0 CHADMN Cc1ccnc(N[C@H](C)[C@@H]2CCCCO2)c1C1CC1 ZINC001206590187 1133723304 /nfs/dbraw/zinc/72/33/04/1133723304.db2.gz JUMKVNOBVGBMOF-OCCSQVGLSA-N 0 1 260.381 3.637 20 0 CHADMN COc1ncccc1CN(Cc1ccccc1)C1CCC1 ZINC001206602005 1133725824 /nfs/dbraw/zinc/72/58/24/1133725824.db2.gz ARMPZOHOXIRMEN-UHFFFAOYSA-N 0 1 282.387 3.645 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1cc(OC(C)C)ncc1F ZINC001206630153 1133730499 /nfs/dbraw/zinc/73/04/99/1133730499.db2.gz MWIOVLCLZRVXQD-UHFFFAOYSA-N 0 1 285.322 3.860 20 0 CHADMN COc1cc(C)ccc1CN1CCc2ccc(C)cc2C1 ZINC001206742014 1133738422 /nfs/dbraw/zinc/73/84/22/1133738422.db2.gz UXGKAUKSXDJIKU-UHFFFAOYSA-N 0 1 281.399 3.870 20 0 CHADMN COc1ccc2nc(-c3cc(F)c(O)cc3F)ccc2c1 ZINC001206756163 1133741933 /nfs/dbraw/zinc/74/19/33/1133741933.db2.gz VDUHPIMCEUZRTR-UHFFFAOYSA-N 0 1 287.265 3.894 20 0 CHADMN Oc1cc(F)c(-c2cc(-c3ccccc3)cnn2)cc1F ZINC001206761927 1133743298 /nfs/dbraw/zinc/74/32/98/1133743298.db2.gz PJFLRKACIDAMPV-UHFFFAOYSA-N 0 1 284.265 3.794 20 0 CHADMN c1ncn2cc(-c3cccc(OCC4CC4)c3)ccc12 ZINC001206764454 1133744969 /nfs/dbraw/zinc/74/49/69/1133744969.db2.gz XRVYKVVIJYDALP-UHFFFAOYSA-N 0 1 264.328 3.790 20 0 CHADMN CSCc1ccc(-c2cc(F)c(O)cc2F)nc1 ZINC001206775573 1133747004 /nfs/dbraw/zinc/74/70/04/1133747004.db2.gz CCPIWQTTYOVYEE-UHFFFAOYSA-N 0 1 267.300 3.595 20 0 CHADMN Cc1csc2nc(C)nc(-c3cc(F)c(O)cc3F)c12 ZINC001206775767 1133746653 /nfs/dbraw/zinc/74/66/53/1133746653.db2.gz KHILVRVKUJHHCG-UHFFFAOYSA-N 0 1 292.310 3.959 20 0 CHADMN COc1ccc(-c2cc(CN3CCCCCC3)no2)cc1 ZINC001206824008 1133752650 /nfs/dbraw/zinc/75/26/50/1133752650.db2.gz XQDKZFQRCKASAO-UHFFFAOYSA-N 0 1 286.375 3.726 20 0 CHADMN COc1ccc(-c2cc(CN3CCC4(CC4)CC3)no2)cc1 ZINC001206824597 1133752959 /nfs/dbraw/zinc/75/29/59/1133752959.db2.gz HRIDAHQGCSIVSD-UHFFFAOYSA-N 0 1 298.386 3.726 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2cc(C)cc(C)c2)no1 ZINC001206822559 1133753106 /nfs/dbraw/zinc/75/31/06/1133753106.db2.gz XUPLRNIIAIVRKT-KRWDZBQOSA-N 0 1 270.376 3.937 20 0 CHADMN CCCCN(C)Cc1cc(-c2ccc(F)cc2)on1 ZINC001206833277 1133753394 /nfs/dbraw/zinc/75/33/94/1133753394.db2.gz HIUXSQKYQKWKPN-UHFFFAOYSA-N 0 1 262.328 3.713 20 0 CHADMN CCCCN(CC)Cc1cc(-c2ccccc2)on1 ZINC001206839553 1133754690 /nfs/dbraw/zinc/75/46/90/1133754690.db2.gz OGRUZQJADRYBLJ-UHFFFAOYSA-N 0 1 258.365 3.964 20 0 CHADMN Fc1cccc(OC(F)F)c1CN(CC1CC1)C1CC1 ZINC001207117545 1133768449 /nfs/dbraw/zinc/76/84/49/1133768449.db2.gz VGKBQUSRMDJTDX-UHFFFAOYSA-N 0 1 285.309 3.802 20 0 CHADMN CC[C@@H]1CCCN1Cc1c(F)cccc1OC(F)F ZINC001207111905 1133769248 /nfs/dbraw/zinc/76/92/48/1133769248.db2.gz CRNDUKNKQBBECM-SNVBAGLBSA-N 0 1 273.298 3.802 20 0 CHADMN Cc1ncccc1CN1CCC[C@H]1c1ccccc1F ZINC001207150742 1133771812 /nfs/dbraw/zinc/77/18/12/1133771812.db2.gz FERYEGJCNBZWNX-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@@H]1COCCN1CC(C)(C)Sc1ccc(Cl)cc1 ZINC001207295609 1133791007 /nfs/dbraw/zinc/79/10/07/1133791007.db2.gz WHYWCJUGXFYQRW-GFCCVEGCSA-N 0 1 299.867 3.931 20 0 CHADMN C[C@H]1CCCCCN1CCc1c(Cl)ncnc1Cl ZINC001207328191 1133791806 /nfs/dbraw/zinc/79/18/06/1133791806.db2.gz DDOBWHWTMRGJKG-JTQLQIEISA-N 0 1 288.222 3.590 20 0 CHADMN F[C@@H]1CN(CC2CCC(F)(F)CC2)CCCC1(F)F ZINC001207342908 1133793440 /nfs/dbraw/zinc/79/34/40/1133793440.db2.gz QDYQMQVHQOPHLP-LLVKDONJSA-N 0 1 285.300 3.881 20 0 CHADMN Fc1nccc(Cl)c1CNCC1(CC2CC2)CC1 ZINC001207348126 1133793645 /nfs/dbraw/zinc/79/36/45/1133793645.db2.gz KKFJWEKDMIPXMV-UHFFFAOYSA-N 0 1 268.763 3.544 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN1CC(OC(C)C)C1 ZINC001207403548 1133797614 /nfs/dbraw/zinc/79/76/14/1133797614.db2.gz NSSLJJOMOHOZEI-OAHLLOKOSA-N 0 1 253.430 3.868 20 0 CHADMN Clc1cccc(CCN2CCc3occc3C2)c1 ZINC001207425792 1133800597 /nfs/dbraw/zinc/80/05/97/1133800597.db2.gz MVMVEXOCXWYDNN-UHFFFAOYSA-N 0 1 261.752 3.534 20 0 CHADMN C[C@H]1CN(CC(c2ccccc2)c2ccccc2)CCC1=O ZINC001207523104 1133816204 /nfs/dbraw/zinc/81/62/04/1133816204.db2.gz SDXPRMUWFPCETI-INIZCTEOSA-N 0 1 293.410 3.729 20 0 CHADMN F[C@@H]1COc2ccccc2[C@H]1NC[C@@H]1CCc2ccccc21 ZINC001207535784 1133817897 /nfs/dbraw/zinc/81/78/97/1133817897.db2.gz MPIFGNSZNYUULI-POZUXBRTSA-N 0 1 297.373 3.778 20 0 CHADMN COc1ccc(CCCN2CCn3cccc3[C@@H]2C)cc1 ZINC001207584839 1133823016 /nfs/dbraw/zinc/82/30/16/1133823016.db2.gz KHFBZDJKQMYAEO-HNNXBMFYSA-N 0 1 284.403 3.506 20 0 CHADMN C[C@H](CCCC(C)(C)O)CCN1CCC(F)(F)[C@H](F)C1 ZINC001207637052 1133835719 /nfs/dbraw/zinc/83/57/19/1133835719.db2.gz NVLOGPHNURBQOU-CHWSQXEVSA-N 0 1 295.389 3.633 20 0 CHADMN Cc1cc2c(cn1)CN(CC[C@H](C)CCCC(C)(C)O)C2 ZINC001207678341 1133837341 /nfs/dbraw/zinc/83/73/41/1133837341.db2.gz JYJOCHBDHXFKPS-CQSZACIVSA-N 0 1 290.451 3.673 20 0 CHADMN Cc1cc(CN2CCO[C@@H](c3ccccc3)CC2)cc(C)n1 ZINC001207806244 1133849914 /nfs/dbraw/zinc/84/99/14/1133849914.db2.gz RTERVJSWTYMYRN-LJQANCHMSA-N 0 1 296.414 3.662 20 0 CHADMN FC(F)(F)c1cccc(CCCN(C2CC2)C2COC2)c1 ZINC001207846083 1133852628 /nfs/dbraw/zinc/85/26/28/1133852628.db2.gz WXUFIMKULHGHCG-UHFFFAOYSA-N 0 1 299.336 3.501 20 0 CHADMN C[C@@H](CN1Cc2cccc(F)c2C1)c1ccccc1 ZINC001207909460 1133861110 /nfs/dbraw/zinc/86/11/10/1133861110.db2.gz ALGVFTPOJCYPBY-ZDUSSCGKSA-N 0 1 255.336 3.945 20 0 CHADMN CS[C@@H](C)CCN(C)Cc1nc2ccccc2s1 ZINC001208139712 1133885066 /nfs/dbraw/zinc/88/50/66/1133885066.db2.gz UDGNPQFMCBVUKO-NSHDSACASA-N 0 1 280.462 3.870 20 0 CHADMN Cc1ccc([C@H](C)CCN2CC[C@](C)(F)[C@H](F)C2)o1 ZINC001208162461 1133892690 /nfs/dbraw/zinc/89/26/90/1133892690.db2.gz QWAUEXAMBMFGAD-DFBGVHRSSA-N 0 1 271.351 3.854 20 0 CHADMN Cc1ccc([C@H](C)CCN2CCc3occc3C2)o1 ZINC001208171030 1133895458 /nfs/dbraw/zinc/89/54/58/1133895458.db2.gz YIGCENGDFBGWSI-GFCCVEGCSA-N 0 1 259.349 3.733 20 0 CHADMN CC1=C[C@H](C)[C@H](CN(C)Cc2cscn2)CC1 ZINC001208181551 1133901385 /nfs/dbraw/zinc/90/13/85/1133901385.db2.gz NSLIUMUDJUFGEX-STQMWFEESA-N 0 1 250.411 3.567 20 0 CHADMN CC/C=C\CCCCCN1CC2(C1)CCCCO2 ZINC001208189196 1133902220 /nfs/dbraw/zinc/90/22/20/1133902220.db2.gz BZHDJKINKJHFRU-ARJAWSKDSA-N 0 1 251.414 3.768 20 0 CHADMN FC(F)(F)c1ccc(CCCN2C[C@H]3CC[C@@H]2CO3)cc1 ZINC001208692217 1133928928 /nfs/dbraw/zinc/92/89/28/1133928928.db2.gz OBZSBJXIECPABV-HUUCEWRRSA-N 0 1 299.336 3.501 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccccc1F)OCc1ccccc1 ZINC001208700260 1133931913 /nfs/dbraw/zinc/93/19/13/1133931913.db2.gz DVIINNUHUPOFKC-HNNXBMFYSA-N 0 1 287.378 3.863 20 0 CHADMN C[C@@H](CN(C)Cc1ccccc1F)OCc1ccccc1 ZINC001208700260 1133931919 /nfs/dbraw/zinc/93/19/19/1133931919.db2.gz DVIINNUHUPOFKC-HNNXBMFYSA-N 0 1 287.378 3.863 20 0 CHADMN COC(=O)[C@@H]1CCCN1C[C@H](C)c1cccc2ccccc21 ZINC001208706155 1133933239 /nfs/dbraw/zinc/93/32/39/1133933239.db2.gz MNRIOGBYVZZTHN-KSSFIOAISA-N 0 1 297.398 3.581 20 0 CHADMN C[C@H](CN1C[C@H]2CC[C@@H]1CO2)c1cccc2ccccc21 ZINC001208709930 1133934463 /nfs/dbraw/zinc/93/44/63/1133934463.db2.gz ALKQQKYGDUNTCW-DJIMGWMZSA-N 0 1 281.399 3.807 20 0 CHADMN CC(C)CCCN(Cc1ccccn1)Cc1ccccn1 ZINC001208734443 1133937808 /nfs/dbraw/zinc/93/78/08/1133937808.db2.gz YLEPIZBHFXMCJB-UHFFFAOYSA-N 0 1 283.419 3.915 20 0 CHADMN Fc1ccc(CCCN2CCO[C@H](c3ccccc3)C2)cc1 ZINC001208768388 1133940868 /nfs/dbraw/zinc/94/08/68/1133940868.db2.gz AOKFYIQQHYIOCI-IBGZPJMESA-N 0 1 299.389 3.832 20 0 CHADMN c1ccc(C2(CN3CC4(C3)CCCCO4)CCCC2)cc1 ZINC001208775574 1133943051 /nfs/dbraw/zinc/94/30/51/1133943051.db2.gz XDHYLLYIDCQFJP-UHFFFAOYSA-N 0 1 285.431 3.753 20 0 CHADMN Cc1ncc2n1CCN(CC1(c3ccccc3)CCCC1)C2 ZINC001208775632 1133943342 /nfs/dbraw/zinc/94/33/42/1133943342.db2.gz YYZFLESWCGCZTG-UHFFFAOYSA-N 0 1 295.430 3.519 20 0 CHADMN Brc1ccccc1CCCN1CCC[C@@H]2C[C@@H]21 ZINC001208848175 1133951273 /nfs/dbraw/zinc/95/12/73/1133951273.db2.gz LGCDHBMAZXYMFH-HIFRSBDPSA-N 0 1 294.236 3.866 20 0 CHADMN CN1CC=C(Nc2ccc3c(c2)C(=O)c2ccccc2-3)CC1 ZINC001208909903 1133961203 /nfs/dbraw/zinc/96/12/03/1133961203.db2.gz IZNUAHWDLRXXCL-UHFFFAOYSA-N 0 1 290.366 3.529 20 0 CHADMN c1ccc(N2CC=C(Nc3nccnc3C3CC3)CC2)cc1 ZINC001209001273 1133969627 /nfs/dbraw/zinc/96/96/27/1133969627.db2.gz LVQZHEOWYSIRPB-UHFFFAOYSA-N 0 1 292.386 3.560 20 0 CHADMN Cc1cc(F)nc(N=C2CCN(c3ccccc3)CC2)c1 ZINC001209056363 1133971469 /nfs/dbraw/zinc/97/14/69/1133971469.db2.gz FDMSWZQHRWYTSR-UHFFFAOYSA-N 0 1 283.350 3.735 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1CCc1cccc(C(F)(F)F)c1 ZINC001209120525 1133978153 /nfs/dbraw/zinc/97/81/53/1133978153.db2.gz ARKLQDRYRRPVNG-ZWNOBZJWSA-N 0 1 275.289 3.680 20 0 CHADMN F[C@H]1CCCN(CCc2ccc(C(F)(F)F)cc2)C1 ZINC001209125960 1133979705 /nfs/dbraw/zinc/97/97/05/1133979705.db2.gz LXKITEOXMOVSJP-ZDUSSCGKSA-N 0 1 275.289 3.682 20 0 CHADMN CCc1cncc(Nc2ccncc2Oc2ccccc2)c1 ZINC001209164923 1133984017 /nfs/dbraw/zinc/98/40/17/1133984017.db2.gz KDTUTFNCLIJKQM-UHFFFAOYSA-N 0 1 291.354 3.997 20 0 CHADMN c1csc(CC[N@H+]2CCC[C@H]2c2nccs2)c1 ZINC001209227655 1133991508 /nfs/dbraw/zinc/99/15/08/1133991508.db2.gz SRDSQFLQCNWMIS-LBPRGKRZSA-N 0 1 264.419 3.584 20 0 CHADMN CN(CCc1ccc(F)c(F)c1)Cc1cccc(F)c1F ZINC001209246556 1133995998 /nfs/dbraw/zinc/99/59/98/1133995998.db2.gz SCQBNVLVOYEIJV-UHFFFAOYSA-N 0 1 297.295 3.918 20 0 CHADMN C[C@@H]1CC[N@@H+](CCc2cc(F)c(F)cc2F)[C@@H](C)C1 ZINC001209254421 1133996434 /nfs/dbraw/zinc/99/64/34/1133996434.db2.gz IZYHYQZCWMHQKI-MNOVXSKESA-N 0 1 271.326 3.767 20 0 CHADMN CCN(CCOc1ccccc1)Cc1cccc(F)c1F ZINC001209301806 1134003788 /nfs/dbraw/zinc/00/37/88/1134003788.db2.gz VHWHVGMCEXPIIB-UHFFFAOYSA-N 0 1 291.341 3.866 20 0 CHADMN FC1(F)CCCCN(CC2Cc3ccccc3C2)C1 ZINC001209320910 1134005904 /nfs/dbraw/zinc/00/59/04/1134005904.db2.gz WAVSVXJHGAZVGR-UHFFFAOYSA-N 0 1 265.347 3.523 20 0 CHADMN Cc1cccc2c(CN3CCC(=O)[C@H]4CCCC[C@H]43)c[nH]c21 ZINC001209482368 1134025602 /nfs/dbraw/zinc/02/56/02/1134025602.db2.gz LFFXOIUIWNASSD-DLBZAZTESA-N 0 1 296.414 3.810 20 0 CHADMN Cc1cccc2c(CN3CCC(=O)[C@H]4CCCC[C@@H]43)c[nH]c21 ZINC001209482371 1134026728 /nfs/dbraw/zinc/02/67/28/1134026728.db2.gz LFFXOIUIWNASSD-IRXDYDNUSA-N 0 1 296.414 3.810 20 0 CHADMN Cc1ccc2[nH]cc(CN3CCc4c(O)cccc4C3)c2c1 ZINC001209490808 1134027305 /nfs/dbraw/zinc/02/73/05/1134027305.db2.gz IEKPHAYNJKHBIP-UHFFFAOYSA-N 0 1 292.382 3.740 20 0 CHADMN C[C@@]1(F)CCCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001209509928 1134033164 /nfs/dbraw/zinc/03/31/64/1134033164.db2.gz NPHZFTKVDAHZRF-MRXNPFEDSA-N 0 1 260.356 3.882 20 0 CHADMN CCc1ccc(CN(C)Cc2cc3c(cn2)OCCC3)cc1 ZINC001209509295 1134033209 /nfs/dbraw/zinc/03/32/09/1134033209.db2.gz BIYCSHIKNVSKGB-UHFFFAOYSA-N 0 1 296.414 3.601 20 0 CHADMN CCN(Cc1c2ccccc2nn1C)Cc1cccc(F)c1 ZINC001209538775 1134034277 /nfs/dbraw/zinc/03/42/77/1134034277.db2.gz BUWOIFLDWUKYNU-UHFFFAOYSA-N 0 1 297.377 3.735 20 0 CHADMN Cc1cccc(CN(C)Cc2cnc(Cl)cc2C)c1 ZINC001209628892 1134042687 /nfs/dbraw/zinc/04/26/87/1134042687.db2.gz UBGOHFHWGWZVFV-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1cc(Cl)ncc1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001209632646 1134043910 /nfs/dbraw/zinc/04/39/10/1134043910.db2.gz ZRWSGPMIMSRXIM-TXEJJXNPSA-N 0 1 286.753 3.521 20 0 CHADMN CC(C)[C@@H]1COCCN1Cc1cccc2[nH]cc(Cl)c21 ZINC001209659572 1134049104 /nfs/dbraw/zinc/04/91/04/1134049104.db2.gz PCNDFTSRUMXEDW-HNNXBMFYSA-N 0 1 292.810 3.678 20 0 CHADMN COc1c(Cl)ccc(CN2C[C@H](C)C[C@H](C)C2)c1F ZINC001209700962 1134051455 /nfs/dbraw/zinc/05/14/55/1134051455.db2.gz OZRKEADBWZEFNJ-PHIMTYICSA-N 0 1 285.790 3.966 20 0 CHADMN CCCC1CCN(Cc2cn3cccc(C)c3n2)CC1 ZINC001209739577 1134055833 /nfs/dbraw/zinc/05/58/33/1134055833.db2.gz SANILPMGMOMRMW-UHFFFAOYSA-N 0 1 271.408 3.655 20 0 CHADMN C[C@@H]1CN(Cc2[nH]nc3ccc(Cl)cc32)CCC1(F)F ZINC001209750224 1134059300 /nfs/dbraw/zinc/05/93/00/1134059300.db2.gz GKGNJXFDBSFAPA-SECBINFHSA-N 0 1 299.752 3.693 20 0 CHADMN CN(Cc1cccs1)Cc1[nH]nc2ccc(Cl)cc21 ZINC001209756321 1134060560 /nfs/dbraw/zinc/06/05/60/1134060560.db2.gz YITNQAKOWZUAHQ-UHFFFAOYSA-N 0 1 291.807 3.910 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccc(OC(C)C)cc1F ZINC001209832763 1134074158 /nfs/dbraw/zinc/07/41/58/1134074158.db2.gz PVGVAKPAXNKJGS-UHFFFAOYSA-N 0 1 299.349 3.842 20 0 CHADMN c1nc2ccc(Nc3csc4ncccc34)cc2[nH]1 ZINC001209842617 1134078915 /nfs/dbraw/zinc/07/89/15/1134078915.db2.gz NEVVWQHWIWBKEH-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN Fc1ccc2nc(Nc3ccc4nc[nH]c4c3)oc2c1 ZINC001209841439 1134079045 /nfs/dbraw/zinc/07/90/45/1134079045.db2.gz OPJQTJGPZOJENG-UHFFFAOYSA-N 0 1 268.251 3.587 20 0 CHADMN c1nc2ccc(Nc3cnn(Cc4ccccc4)c3)cc2[nH]1 ZINC001209842668 1134079398 /nfs/dbraw/zinc/07/93/98/1134079398.db2.gz OLSJJFLAQQFVSJ-UHFFFAOYSA-N 0 1 289.342 3.551 20 0 CHADMN CCOC(=O)c1ccc(Nc2ccc3nc[nH]c3c2)c(C)c1 ZINC001209847353 1134080003 /nfs/dbraw/zinc/08/00/03/1134080003.db2.gz CPWWSQYBGUFYNP-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN c1cn(Cc2cccc(Nc3ccc4nc[nH]c4c3)c2)cn1 ZINC001209847040 1134080858 /nfs/dbraw/zinc/08/08/58/1134080858.db2.gz NHQFKCCDNNZAGH-UHFFFAOYSA-N 0 1 289.342 3.551 20 0 CHADMN CN1CCCc2ccc(Nc3ccc4nc[nH]c4c3)cc21 ZINC001209847883 1134081200 /nfs/dbraw/zinc/08/12/00/1134081200.db2.gz WUQCTFPJNPYHLS-UHFFFAOYSA-N 0 1 278.359 3.689 20 0 CHADMN c1nc2ccc(Nc3cncc(C4CCC4)c3)cc2[nH]1 ZINC001209847998 1134081290 /nfs/dbraw/zinc/08/12/90/1134081290.db2.gz JVZSZWIVAVAZRQ-UHFFFAOYSA-N 0 1 264.332 3.969 20 0 CHADMN CCOc1cc(F)ccc1Nc1ccc2nc[nH]c2c1 ZINC001209847415 1134082292 /nfs/dbraw/zinc/08/22/92/1134082292.db2.gz DHXMHQMJFSNGLN-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN Cc1cc(Nc2ccc3nc[nH]c3c2)cc(Cl)n1 ZINC001209848301 1134083857 /nfs/dbraw/zinc/08/38/57/1134083857.db2.gz LHKZAAPZSCRMGK-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN COc1cc(C)c(Nc2ccc3nc[nH]c3c2)cc1OC ZINC001209849067 1134084001 /nfs/dbraw/zinc/08/40/01/1134084001.db2.gz VAWLSMMAVDSHTL-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN Cc1cc(N)ncc1Nc1cc2c(s1)CCCC2 ZINC001209968270 1134111431 /nfs/dbraw/zinc/11/14/31/1134111431.db2.gz XRHAQBMVKOPWIK-UHFFFAOYSA-N 0 1 259.378 3.656 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(Cl)nc2ccccc21 ZINC001209965328 1134111521 /nfs/dbraw/zinc/11/15/21/1134111521.db2.gz QVOHKQZZJVXUGI-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1c(Cl)ncc2ccccc21 ZINC001209968108 1134111620 /nfs/dbraw/zinc/11/16/20/1134111620.db2.gz RPSDDNUVAGXDNK-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1ccc(Nc2cnc(N)cc2C)c2cccnc12 ZINC001209967694 1134111639 /nfs/dbraw/zinc/11/16/39/1134111639.db2.gz QQKZGXPJMPXHPI-UHFFFAOYSA-N 0 1 264.332 3.572 20 0 CHADMN Cc1cc(OC(F)(F)F)ccc1Nc1cnc(N)cc1C ZINC001209966024 1134111727 /nfs/dbraw/zinc/11/17/27/1134111727.db2.gz OGFYAGULWXYYEP-UHFFFAOYSA-N 0 1 297.280 3.923 20 0 CHADMN CC(=O)c1ccc(Cl)cc1Nc1cnc(N)cc1C ZINC001209970149 1134112962 /nfs/dbraw/zinc/11/29/62/1134112962.db2.gz VQHIQCHVJCUXGG-UHFFFAOYSA-N 0 1 275.739 3.572 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(F)nc(F)c1Cl ZINC001210100663 1134145353 /nfs/dbraw/zinc/14/53/53/1134145353.db2.gz XKIFCVCVVHDCSG-UHFFFAOYSA-N 0 1 294.692 3.942 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2nn(C)cc2c1 ZINC001210101341 1134145902 /nfs/dbraw/zinc/14/59/02/1134145902.db2.gz DROCGWYSGJPXLO-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2cn(C)nc2c1 ZINC001210101322 1134146165 /nfs/dbraw/zinc/14/61/65/1134146165.db2.gz DDTDTVOJZPOBNY-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2ocnc21 ZINC001210103064 1134146830 /nfs/dbraw/zinc/14/68/30/1134146830.db2.gz TZIZZZMCOAJBOO-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN CCc1ccc(Nc2cc3cn[nH]c3cc2C)c(O)c1 ZINC001210105324 1134147864 /nfs/dbraw/zinc/14/78/64/1134147864.db2.gz WTWCHIYIWXCTPO-UHFFFAOYSA-N 0 1 267.332 3.883 20 0 CHADMN COC(=O)c1cccc(Nc2cc3cn[nH]c3cc2C)c1F ZINC001210105404 1134148486 /nfs/dbraw/zinc/14/84/86/1134148486.db2.gz AAMWXMYYFGDOQO-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN COc1ccc(Nc2cc3cn[nH]c3cc2C)c(C(C)=O)c1 ZINC001210106034 1134149336 /nfs/dbraw/zinc/14/93/36/1134149336.db2.gz MUEUEUUUFXYKHO-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN Nc1nc2ccccc2n1-c1c(F)cccc1C(F)(F)F ZINC001210127595 1134153582 /nfs/dbraw/zinc/15/35/82/1134153582.db2.gz DJTWXVSLNNMDJJ-UHFFFAOYSA-N 0 1 295.239 3.766 20 0 CHADMN Cc1[nH+]c2c(Nc3cccc(C(=O)[O-])c3F)cccn2c1C ZINC001210240219 1134175420 /nfs/dbraw/zinc/17/54/20/1134175420.db2.gz PCFNOFPMZQDIJK-UHFFFAOYSA-N 0 1 299.305 3.532 20 0 CHADMN COc1cc(Nc2ccc(-c3nccn3C)cc2)ncc1C ZINC001210431000 1134213147 /nfs/dbraw/zinc/21/31/47/1134213147.db2.gz JDQOTFJNKKQYII-UHFFFAOYSA-N 0 1 294.358 3.543 20 0 CHADMN Cc1c(Cl)c(Cl)ccc1Nc1ccncc1 ZINC001210460021 1134220181 /nfs/dbraw/zinc/22/01/81/1134220181.db2.gz GFHCFRBEBTUKPX-UHFFFAOYSA-N 0 1 253.132 3.862 20 0 CHADMN Cc1cc(Nc2cc(CO)ccc2C)c2ccccc2n1 ZINC001210678033 1134273326 /nfs/dbraw/zinc/27/33/26/1134273326.db2.gz NLBXWHBIEWPSRS-UHFFFAOYSA-N 0 1 278.355 3.509 20 0 CHADMN Cc1ccc2nc(N)n(-c3cnc4sccc4c3)c2c1 ZINC001210687407 1134274399 /nfs/dbraw/zinc/27/43/99/1134274399.db2.gz AHXQPJLELBLEAM-UHFFFAOYSA-N 0 1 280.356 3.526 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1cnc2sccc2c1 ZINC001210687663 1134274558 /nfs/dbraw/zinc/27/45/58/1134274558.db2.gz IERMXLPFIPYVPN-UHFFFAOYSA-N 0 1 280.356 3.526 20 0 CHADMN CC(C)(C)c1nc(Nc2cnc3sccc3c2)no1 ZINC001210688418 1134275019 /nfs/dbraw/zinc/27/50/19/1134275019.db2.gz SHFZLBMFCBWXBB-UHFFFAOYSA-N 0 1 274.349 3.720 20 0 CHADMN CCC(C)=Nc1cc(C(=O)OC)c(Cl)cc1F ZINC001210795298 1134296863 /nfs/dbraw/zinc/29/68/63/1134296863.db2.gz DBOLWTZZQHPCQU-QPJJXVBHSA-N 0 1 257.692 3.601 20 0 CHADMN c1cn2cc(Nc3ccccc3OC3CC3)ccc2n1 ZINC001210835448 1134307192 /nfs/dbraw/zinc/30/71/92/1134307192.db2.gz RCTIVJIAAFSTER-UHFFFAOYSA-N 0 1 265.316 3.619 20 0 CHADMN Cc1nccc(Nc2cc(Cl)c(O)c(Cl)c2)n1 ZINC001210923016 1134327729 /nfs/dbraw/zinc/32/77/29/1134327729.db2.gz IDVUZJFYZHFSBH-UHFFFAOYSA-N 0 1 270.119 3.541 20 0 CHADMN Oc1c(Cl)cc(Nc2c(F)cncc2F)cc1Cl ZINC001210923215 1134328639 /nfs/dbraw/zinc/32/86/39/1134328639.db2.gz NIHRMMFBSIZZAK-UHFFFAOYSA-N 0 1 291.084 3.538 20 0 CHADMN Cc1nc2c(cc(Nc3ccncc3)cc2F)n1C(C)C ZINC001210924152 1134329254 /nfs/dbraw/zinc/32/92/54/1134329254.db2.gz SKSLKHDOKIKPMU-UHFFFAOYSA-N 0 1 284.338 3.625 20 0 CHADMN C=C(Nc1cnc(Cl)c(OC)c1)c1ccccc1 ZINC001210984014 1134342188 /nfs/dbraw/zinc/34/21/88/1134342188.db2.gz XXCDNKYUZCTIHJ-UHFFFAOYSA-N 0 1 260.724 3.826 20 0 CHADMN Cc1ncn(-c2ccc(-c3ccc(F)cc3)cc2)c1N ZINC001211197672 1134389916 /nfs/dbraw/zinc/38/99/16/1134389916.db2.gz XKUZMNURSNCPCN-UHFFFAOYSA-N 0 1 267.307 3.569 20 0 CHADMN Cn1cncc1Nc1c(Cl)cccc1Br ZINC001211249481 1134397938 /nfs/dbraw/zinc/39/79/38/1134397938.db2.gz STEZCRYJQRMXAN-UHFFFAOYSA-N 0 1 286.560 3.580 20 0 CHADMN Cn1cncc1Nc1cnc2c(cccc2C(F)(F)F)c1 ZINC001211247414 1134398900 /nfs/dbraw/zinc/39/89/00/1134398900.db2.gz ZJOOAHLOSVKZKH-UHFFFAOYSA-N 0 1 292.264 3.731 20 0 CHADMN COc1cnccc1Nc1ccc2cc(F)ccc2c1 ZINC001211263554 1134399572 /nfs/dbraw/zinc/39/95/72/1134399572.db2.gz BVNCZGYZURCSCB-UHFFFAOYSA-N 0 1 268.291 3.548 20 0 CHADMN Cn1cncc1-n1c(-c2ccccc2)cc2cc(N)ccc21 ZINC001211251348 1134400187 /nfs/dbraw/zinc/40/01/87/1134400187.db2.gz FYTOYMPBKCNAGN-UHFFFAOYSA-N 0 1 288.354 3.613 20 0 CHADMN COc1ccc(-c2ccccc2)c(Nc2cncn2C)c1 ZINC001211250652 1134400304 /nfs/dbraw/zinc/40/03/04/1134400304.db2.gz QFNSOTMEOLMBPK-UHFFFAOYSA-N 0 1 279.343 3.839 20 0 CHADMN Cc1cc(Cl)c(Cl)c(Nc2cncn2C)c1 ZINC001211253619 1134400544 /nfs/dbraw/zinc/40/05/44/1134400544.db2.gz LIFUSWVXDGLSGN-UHFFFAOYSA-N 0 1 256.136 3.779 20 0 CHADMN COc1cnccc1N(c1ccccc1N)C1CCCC1 ZINC001211264903 1134400579 /nfs/dbraw/zinc/40/05/79/1134400579.db2.gz OORJVQVNGGTCKJ-UHFFFAOYSA-N 0 1 283.375 3.753 20 0 CHADMN [O-]c1cc(F)c(-c2ccc([C@H]3CCC[NH2+]3)c(F)c2)cc1F ZINC001211360340 1134412227 /nfs/dbraw/zinc/41/22/27/1134412227.db2.gz RNCASRNYNUKOMT-OAHLLOKOSA-N 0 1 293.288 3.901 20 0 CHADMN Cc1cnc(OC(C)C)c(-c2cc(F)c(O)cc2F)c1 ZINC001211359167 1134412538 /nfs/dbraw/zinc/41/25/38/1134412538.db2.gz CFASOOIEOPZULN-UHFFFAOYSA-N 0 1 279.286 3.828 20 0 CHADMN Cc1nc2ccc(Nc3cccnc3OC(F)F)cc2[nH]1 ZINC001213072414 1134420832 /nfs/dbraw/zinc/42/08/32/1134420832.db2.gz RXCYJKUUANXGBM-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN COc1cc(F)ccc1Nc1ccc2[nH]c(C)nc2c1 ZINC001213074467 1134420986 /nfs/dbraw/zinc/42/09/86/1134420986.db2.gz VZBINYUAFRNAEZ-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1nc2cc(Nc3cccc4nnc(C)cc43)ccc2[nH]1 ZINC001213074474 1134421508 /nfs/dbraw/zinc/42/15/08/1134421508.db2.gz WFERRDJVQWOWTA-UHFFFAOYSA-N 0 1 289.342 3.867 20 0 CHADMN COc1ccc(Nc2ccc3[nH]c(C)nc3c2)cc1F ZINC001213073184 1134421704 /nfs/dbraw/zinc/42/17/04/1134421704.db2.gz INSDRLLTPIFRNK-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1cnn(C2CCC2)c1Nc1ccc2nc(C)[nH]c2c1 ZINC001213073211 1134421965 /nfs/dbraw/zinc/42/19/65/1134421965.db2.gz JIYCZIFUANHDBM-UHFFFAOYSA-N 0 1 281.363 3.845 20 0 CHADMN Cc1nc2cc(Nc3c(C)cc(O)cc3C)ccc2[nH]1 ZINC001213075346 1134422846 /nfs/dbraw/zinc/42/28/46/1134422846.db2.gz PJGKMGPKUAJBCU-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN Cc1nc2cc(Nc3cc(Cl)ccc3CO)ccc2[nH]1 ZINC001213076273 1134422922 /nfs/dbraw/zinc/42/29/22/1134422922.db2.gz OIVASONJPWHKQK-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1nc2cc(Nc3cccc4snnc43)ccc2[nH]1 ZINC001213076107 1134423072 /nfs/dbraw/zinc/42/30/72/1134423072.db2.gz FYWKKZMHMKVEBE-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1nc2cc(Nc3ccc4c(c3)OCC4)ccc2[nH]1 ZINC001213075273 1134423511 /nfs/dbraw/zinc/42/35/11/1134423511.db2.gz MKZVGGYNDNTXNA-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN CC(C)(C)c1cc(Nc2ncc(C(F)(F)F)cn2)ccn1 ZINC001213160724 1134432759 /nfs/dbraw/zinc/43/27/59/1134432759.db2.gz HNIJSESYXWGPDI-UHFFFAOYSA-N 0 1 296.296 3.932 20 0 CHADMN CC(C)(C)c1cc(Nc2nc3ccccc3nc2N)ccn1 ZINC001213162935 1134433007 /nfs/dbraw/zinc/43/30/07/1134433007.db2.gz NEOFJFXDGRWDPI-UHFFFAOYSA-N 0 1 293.374 3.648 20 0 CHADMN CSc1nccc(Nc2ccnc(C(C)(C)C)c2)n1 ZINC001213160731 1134433112 /nfs/dbraw/zinc/43/31/12/1134433112.db2.gz IDRIECOGHVCOEP-UHFFFAOYSA-N 0 1 274.393 3.635 20 0 CHADMN Nc1nc2ccccc2n1-c1ccc(C2CC2)cc1F ZINC001213454684 1134449578 /nfs/dbraw/zinc/44/95/78/1134449578.db2.gz KEGZONJQTYZARS-UHFFFAOYSA-N 0 1 267.307 3.624 20 0 CHADMN Clc1cc(-c2nc(-c3cccc4ccoc43)no2)n[nH]1 ZINC001213500631 1134456205 /nfs/dbraw/zinc/45/62/05/1134456205.db2.gz MDKLTRJIKPBLKZ-UHFFFAOYSA-N 0 1 286.678 3.526 20 0 CHADMN Cc1ccc(-c2noc(-c3cc(Cl)[nH]n3)n2)c(Cl)c1 ZINC001213500186 1134456539 /nfs/dbraw/zinc/45/65/39/1134456539.db2.gz AZLGORFPNYFJGO-UHFFFAOYSA-N 0 1 295.129 3.742 20 0 CHADMN Cc1cccc2ncc(Nc3cccc(Cl)c3CO)n21 ZINC001214646201 1134561749 /nfs/dbraw/zinc/56/17/49/1134561749.db2.gz ZHTQGLFAGUFRHZ-UHFFFAOYSA-N 0 1 287.750 3.532 20 0 CHADMN COc1cc(CN2CCc3ccccc3[C@H]2C)ccc1O ZINC000180089481 1134565295 /nfs/dbraw/zinc/56/52/95/1134565295.db2.gz DSDAKKYDPOYMOT-CYBMUJFWSA-N 0 1 283.371 3.520 20 0 CHADMN Oc1c(Cl)ccc(Nc2nccnc2C2CC2)c1F ZINC001214791029 1134572271 /nfs/dbraw/zinc/57/22/71/1134572271.db2.gz HRDUKPINCPDRIP-UHFFFAOYSA-N 0 1 279.702 3.596 20 0 CHADMN Cc1cncc(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214791592 1134573512 /nfs/dbraw/zinc/57/35/12/1134573512.db2.gz ZDAUPAXSYLVKID-UHFFFAOYSA-N 0 1 252.676 3.632 20 0 CHADMN Oc1c(Cl)ccc(Nc2nc(F)ccc2F)c1F ZINC001214797732 1134573816 /nfs/dbraw/zinc/57/38/16/1134573816.db2.gz FHNLBOCTUCCWFU-UHFFFAOYSA-N 0 1 274.629 3.602 20 0 CHADMN Oc1c(Cl)ccc(Nc2cccn3ccnc23)c1F ZINC001214793724 1134573878 /nfs/dbraw/zinc/57/38/78/1134573878.db2.gz JXQZUYYOEBSHOD-UHFFFAOYSA-N 0 1 277.686 3.576 20 0 CHADMN OCc1c(F)cccc1Nc1ccc(Cl)c(O)c1F ZINC001214803869 1134575440 /nfs/dbraw/zinc/57/54/40/1134575440.db2.gz JEJIYLKZSFNGAU-UHFFFAOYSA-N 0 1 285.677 3.560 20 0 CHADMN Fc1cccc(CN2CC[C@H](C3CC3)C2)c1Br ZINC000400030695 1134577857 /nfs/dbraw/zinc/57/78/57/1134577857.db2.gz IHQSNLPVDNEYIB-NSHDSACASA-N 0 1 298.199 3.820 20 0 CHADMN Cc1cccc(-c2noc(-c3[nH]nc(C4CC4)c3F)n2)c1C ZINC001214932941 1134581887 /nfs/dbraw/zinc/58/18/87/1134581887.db2.gz WZHYNZQCSYEJRH-UHFFFAOYSA-N 0 1 298.321 3.760 20 0 CHADMN COc1c(F)cc(Nc2ccc3nccn3c2)cc1Cl ZINC001214966496 1134588439 /nfs/dbraw/zinc/58/84/39/1134588439.db2.gz MUFAIYGHYNZARU-UHFFFAOYSA-N 0 1 291.713 3.879 20 0 CHADMN Cc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1Cl ZINC000401605440 1134617447 /nfs/dbraw/zinc/61/74/47/1134617447.db2.gz IFQPXFWSXWEEOJ-CYBMUJFWSA-N 0 1 261.756 3.861 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000401465581 1134613828 /nfs/dbraw/zinc/61/38/28/1134613828.db2.gz XFFIIJBKAQEQDX-ZIAGYGMSSA-N 0 1 267.413 3.532 20 0 CHADMN COC(=O)c1oc([C@@H](C)N[C@H](C)c2cccs2)cc1C ZINC000182558931 1134618855 /nfs/dbraw/zinc/61/88/55/1134618855.db2.gz NXZVJNHZARFOFP-GHMZBOCLSA-N 0 1 293.388 3.848 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc(O)c2)cc(Cl)n1 ZINC000401811250 1134621475 /nfs/dbraw/zinc/62/14/75/1134621475.db2.gz DHTVHCUAFGQQBU-NSHDSACASA-N 0 1 276.767 3.600 20 0 CHADMN CCOc1cccc(CNCc2cc(C)nc(Cl)c2)c1 ZINC000401933871 1134627196 /nfs/dbraw/zinc/62/71/96/1134627196.db2.gz YZLNGZCWVINKES-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN CC(C)Oc1cc(Nc2cc(=O)[nH]c(Cl)n2)ccc1F ZINC001215498023 1134634104 /nfs/dbraw/zinc/63/41/04/1134634104.db2.gz GDIKZYNKLGLZNT-UHFFFAOYSA-N 0 1 297.717 3.506 20 0 CHADMN COc1c(F)cccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215554995 1134640545 /nfs/dbraw/zinc/64/05/45/1134640545.db2.gz OXPSQIWOSBNIKD-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN CCOC(=O)c1ccc(Nc2cc3[nH]ncc3c(F)c2)cc1 ZINC001215556172 1134640752 /nfs/dbraw/zinc/64/07/52/1134640752.db2.gz WOWKOQHNBBHUFG-UHFFFAOYSA-N 0 1 299.305 3.622 20 0 CHADMN Cc1cnn(C2CCC2)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215556114 1134640905 /nfs/dbraw/zinc/64/09/05/1134640905.db2.gz SFLDTRKDSZXWSW-UHFFFAOYSA-N 0 1 285.326 3.676 20 0 CHADMN Fc1cc(Nc2ccc3ncoc3c2)cc2[nH]ncc21 ZINC001215554941 1134641422 /nfs/dbraw/zinc/64/14/22/1134641422.db2.gz MKOSCJQUNAAIKJ-UHFFFAOYSA-N 0 1 268.251 3.587 20 0 CHADMN Cc1cc(Nc2cc3[nH]ncc3c(F)c2)n(CC2CCC2)n1 ZINC001215555799 1134641480 /nfs/dbraw/zinc/64/14/80/1134641480.db2.gz PHBJQCZZVBPWND-UHFFFAOYSA-N 0 1 299.353 3.751 20 0 CHADMN O=C1CCc2cc(Nc3cc4[nH]ncc4c(F)c3)ccc21 ZINC001215557172 1134642577 /nfs/dbraw/zinc/64/25/77/1134642577.db2.gz UHMGFKJOWNZESZ-UHFFFAOYSA-N 0 1 281.290 3.575 20 0 CHADMN COCc1ccc(Cl)c(Nc2nnc(C(C)C)o2)c1 ZINC001215594081 1134649673 /nfs/dbraw/zinc/64/96/73/1134649673.db2.gz LKTUCDFPQFVOGD-UHFFFAOYSA-N 0 1 281.743 3.736 20 0 CHADMN Cc1ccc(Nc2cc(CC(C)C)no2)c2cn[nH]c21 ZINC001215753793 1134673932 /nfs/dbraw/zinc/67/39/32/1134673932.db2.gz FUDGZFOPNGZVLW-UHFFFAOYSA-N 0 1 270.336 3.801 20 0 CHADMN Cc1ccc(Nc2cc(=O)[nH]c3ccccc23)c2cn[nH]c21 ZINC001215754931 1134673969 /nfs/dbraw/zinc/67/39/69/1134673969.db2.gz BEVXOXRVZAFCNF-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1ccc(Nc2ncc(Cl)nc2Cl)c2cn[nH]c21 ZINC001215754222 1134674002 /nfs/dbraw/zinc/67/40/02/1134674002.db2.gz ORPZGQZUVDQZGH-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1ccc(Nc2cc(=O)[nH]n2C2CCCC2)c2cn[nH]c21 ZINC001215754004 1134674021 /nfs/dbraw/zinc/67/40/21/1134674021.db2.gz KIZROSOTWXBCNT-UHFFFAOYSA-N 0 1 297.362 3.632 20 0 CHADMN Cc1ccc(C)c(Nc2ccc(C)c3[nH]ncc32)n1 ZINC001215755732 1134674556 /nfs/dbraw/zinc/67/45/56/1134674556.db2.gz ZICYNBMZWIOSBV-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN Cc1cnn(CC2CC2)c1Nc1ccc(C)c2[nH]ncc21 ZINC001215756523 1134674640 /nfs/dbraw/zinc/67/46/40/1134674640.db2.gz SUAVOLWVVFMQIW-UHFFFAOYSA-N 0 1 281.363 3.530 20 0 CHADMN Cc1ccc(Nc2cc(Cl)cnc2C)c2cn[nH]c21 ZINC001215755442 1134674792 /nfs/dbraw/zinc/67/47/92/1134674792.db2.gz QGHWBLWQSMWGBX-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1ccc(Nc2cc(F)ccc2F)c2cn[nH]c21 ZINC001215757429 1134675888 /nfs/dbraw/zinc/67/58/88/1134675888.db2.gz SUZHYSSEZZGNEE-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1ccc(Nc2ccc(F)cc2F)c2cn[nH]c21 ZINC001215757422 1134676146 /nfs/dbraw/zinc/67/61/46/1134676146.db2.gz SPGDMBWCWYTZFR-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN COC(=O)c1ccc(C)c(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215758694 1134676242 /nfs/dbraw/zinc/67/62/42/1134676242.db2.gz VOSOVNHINNHVRS-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1ccc(Nc2cccc(-c3nnco3)c2)c2cn[nH]c21 ZINC001215758256 1134676416 /nfs/dbraw/zinc/67/64/16/1134676416.db2.gz MUVOFMIQSNLUOQ-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN CC(=O)Nc1ccccc1Nc1ccc(C)c2[nH]ncc21 ZINC001215758800 1134677196 /nfs/dbraw/zinc/67/71/96/1134677196.db2.gz YDJVONVZFPIWMR-UHFFFAOYSA-N 0 1 280.331 3.573 20 0 CHADMN Cc1ccc(Nc2cccc3ccc(=O)[nH]c32)c2cn[nH]c21 ZINC001215760389 1134678806 /nfs/dbraw/zinc/67/88/06/1134678806.db2.gz MZQKEYOPTMGOJB-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1ccc(Nc2cc(F)cc(N)c2Cl)c2cn[nH]c21 ZINC001215760449 1134678911 /nfs/dbraw/zinc/67/89/11/1134678911.db2.gz OMBNGKCSZKXLIR-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN Cc1ccc(-c2noc(-c3ccc(O)c(F)c3)n2)cc1F ZINC001215791534 1134687226 /nfs/dbraw/zinc/68/72/26/1134687226.db2.gz ANXJTGWULZZLSI-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN COc1cccc(Nc2cnc3cccc(C)n23)c1C ZINC001215799253 1134689811 /nfs/dbraw/zinc/68/98/11/1134689811.db2.gz PPKYFJZAUBOFNK-UHFFFAOYSA-N 0 1 267.332 3.703 20 0 CHADMN COc1cc(Nc2cc(Cl)cc3[nH]ncc32)ccc1O ZINC001215859155 1134703843 /nfs/dbraw/zinc/70/38/43/1134703843.db2.gz HUYSEBVHLLDZRS-UHFFFAOYSA-N 0 1 289.722 3.674 20 0 CHADMN COc1ncc(Nc2cc(Cl)cc3[nH]ncc32)cc1C ZINC001215857761 1134704524 /nfs/dbraw/zinc/70/45/24/1134704524.db2.gz WJTGSZRRJSJRMP-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1c(O)cccc1Nc1cc(Cl)cc2[nH]ncc21 ZINC001215860830 1134705282 /nfs/dbraw/zinc/70/52/82/1134705282.db2.gz LCKSECMOVCACQJ-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1cc(N)ccc1Nc1cc(Cl)cc2[nH]ncc21 ZINC001215861057 1134705482 /nfs/dbraw/zinc/70/54/82/1134705482.db2.gz SGZFVKGYNCDYNW-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Oc1c(F)cccc1-c1nc(-c2ccc(F)c(F)c2)no1 ZINC001215862788 1134706545 /nfs/dbraw/zinc/70/65/45/1134706545.db2.gz DTTZCOYBADRYQY-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN OCc1ccc(Nc2cc(Cl)cc3[nH]ncc32)cc1F ZINC001215862173 1134707198 /nfs/dbraw/zinc/70/71/98/1134707198.db2.gz RZEHCFBLJSMQIX-UHFFFAOYSA-N 0 1 291.713 3.591 20 0 CHADMN Cc1ncn(-c2ccc3cc(OC(C)C)ccc3c2)c1N ZINC001215922049 1134721975 /nfs/dbraw/zinc/72/19/75/1134721975.db2.gz LSYVSWJTUIIQLG-UHFFFAOYSA-N 0 1 281.359 3.703 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1cc(F)cc(F)c1Cl ZINC001215951722 1134729243 /nfs/dbraw/zinc/72/92/43/1134729243.db2.gz CJTWNWWVGNGFGH-UHFFFAOYSA-N 0 1 293.704 3.848 20 0 CHADMN COc1cc(Nc2ccncc2)ccc1-c1ccccc1 ZINC001216002851 1134748823 /nfs/dbraw/zinc/74/88/23/1134748823.db2.gz DJHBQSYTEXDZFV-UHFFFAOYSA-N 0 1 276.339 3.923 20 0 CHADMN Clc1ccc(Nc2ccc3nccn3c2)c2n[nH]cc21 ZINC001216055514 1134762411 /nfs/dbraw/zinc/76/24/11/1134762411.db2.gz IPFHPYRJRIEGKK-UHFFFAOYSA-N 0 1 283.722 3.608 20 0 CHADMN Cc1ncn(C)c1Nc1cc(-c2ccccc2)cnc1F ZINC001216071839 1134765835 /nfs/dbraw/zinc/76/58/35/1134765835.db2.gz PSWZVTNYJYWVLX-UHFFFAOYSA-N 0 1 282.322 3.673 20 0 CHADMN CCc1nccc(C)c1Nc1cccc(CN(C)C)c1F ZINC001216228558 1134813124 /nfs/dbraw/zinc/81/31/24/1134813124.db2.gz LPLMUOSKIRYVRT-UHFFFAOYSA-N 0 1 287.382 3.897 20 0 CHADMN Cc1cc(Nc2cccc(CN(C)C)c2F)c(C)cc1O ZINC001216231196 1134816045 /nfs/dbraw/zinc/81/60/45/1134816045.db2.gz UWJVBTQYICHNAK-UHFFFAOYSA-N 0 1 288.366 3.953 20 0 CHADMN COc1ccc(Nc2cccc(CN(C)C)c2F)cc1 ZINC001216231167 1134816159 /nfs/dbraw/zinc/81/61/59/1134816159.db2.gz TWECAMRWZUKIGF-UHFFFAOYSA-N 0 1 274.339 3.640 20 0 CHADMN Cc1c(O)cccc1Nc1cccc(CN(C)C)c1F ZINC001216232871 1134817170 /nfs/dbraw/zinc/81/71/70/1134817170.db2.gz PJYAXJCABZAVQN-UHFFFAOYSA-N 0 1 274.339 3.645 20 0 CHADMN Nc1nc2ccccc2n1-c1cc(F)c(F)cc1Cl ZINC001216368782 1134869030 /nfs/dbraw/zinc/86/90/30/1134869030.db2.gz BKMFJDLUOYHPKO-UHFFFAOYSA-N 0 1 279.677 3.539 20 0 CHADMN COc1cc(C)c(C)cc1Nc1ccnn1-c1ccncc1 ZINC001216373135 1134871758 /nfs/dbraw/zinc/87/17/58/1134871758.db2.gz GJFIQXHGETXKIH-UHFFFAOYSA-N 0 1 294.358 3.636 20 0 CHADMN Cc1cc(Nc2ccncc2)ccc1C(=O)OC(C)(C)C ZINC001216381418 1134876796 /nfs/dbraw/zinc/87/67/96/1134876796.db2.gz MKOAFOWLMGRPSK-UHFFFAOYSA-N 0 1 284.359 3.511 20 0 CHADMN COc1cc(Nc2ccc(O)cc2Cl)ncc1C ZINC001216428116 1134893773 /nfs/dbraw/zinc/89/37/73/1134893773.db2.gz KOENZSDAOKOUDB-UHFFFAOYSA-N 0 1 264.712 3.501 20 0 CHADMN Cc1cc(Nc2cc(Cl)cc(CO)c2)c2ccccc2n1 ZINC001216433139 1134896355 /nfs/dbraw/zinc/89/63/55/1134896355.db2.gz SSOJODDROWREJC-UHFFFAOYSA-N 0 1 298.773 3.854 20 0 CHADMN COc1cc(Nc2cc(F)cc(C(C)(C)O)c2)ncc1C ZINC001216491361 1134907282 /nfs/dbraw/zinc/90/72/82/1134907282.db2.gz TZSPCSBYZYVEFT-UHFFFAOYSA-N 0 1 290.338 3.509 20 0 CHADMN Cc1cc(F)nc(Nc2cncn2Cc2ccccc2)c1 ZINC001216552419 1134917819 /nfs/dbraw/zinc/91/78/19/1134917819.db2.gz PLRAANGHASPCPC-UHFFFAOYSA-N 0 1 282.322 3.518 20 0 CHADMN Fc1cccc(Nc2cncn2Cc2ccccc2)c1 ZINC001216552320 1134918147 /nfs/dbraw/zinc/91/81/47/1134918147.db2.gz NCQOXNVTJHWUPY-UHFFFAOYSA-N 0 1 267.307 3.814 20 0 CHADMN CCc1cccc(Nc2cncn2Cc2ccccc2)n1 ZINC001216550585 1134918201 /nfs/dbraw/zinc/91/82/01/1134918201.db2.gz JKVYEORTZCTALC-UHFFFAOYSA-N 0 1 278.359 3.632 20 0 CHADMN Nc1cc(Cl)cc(Nc2cncn2Cc2ccccc2)c1 ZINC001216554980 1134919971 /nfs/dbraw/zinc/91/99/71/1134919971.db2.gz RVCIXBFASFGRPQ-UHFFFAOYSA-N 0 1 298.777 3.911 20 0 CHADMN COc1cc(F)cc(Nc2cncn2Cc2ccccc2)c1 ZINC001216553153 1134920672 /nfs/dbraw/zinc/92/06/72/1134920672.db2.gz HFVAPBZVMMWZCY-UHFFFAOYSA-N 0 1 297.333 3.823 20 0 CHADMN Oc1cccc(-c2nc(-c3ccccc3)no2)c1Cl ZINC001216789152 1134947189 /nfs/dbraw/zinc/94/71/89/1134947189.db2.gz IMOVTNRCRBVLBN-UHFFFAOYSA-N 0 1 272.691 3.763 20 0 CHADMN Cc1cccc(-c2noc(-c3nc4cccc(C)c4[nH]3)n2)c1 ZINC001217335379 1134972743 /nfs/dbraw/zinc/97/27/43/1134972743.db2.gz BMPUNOKVRWMDKI-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Clc1cccc(-c2noc(-c3cnc4ccc[nH]c3-4)n2)c1 ZINC001217398644 1134974806 /nfs/dbraw/zinc/97/48/06/1134974806.db2.gz HVFDUCDQWLENNM-UHFFFAOYSA-N 0 1 296.717 3.933 20 0 CHADMN Cc1cc(-c2noc(-c3cnc4ccc[nH]c3-4)n2)ccc1F ZINC001217399439 1134976350 /nfs/dbraw/zinc/97/63/50/1134976350.db2.gz TVYRFQTYJSKGTB-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Fc1ccc(-c2noc(-c3cnc4ccc[nH]c3-4)n2)c(F)c1 ZINC001217399328 1134976393 /nfs/dbraw/zinc/97/63/93/1134976393.db2.gz QJNPMXVYURGMTB-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN Cc1ccc(-c2noc(-c3cnc4ccc[nH]c3-4)n2)cc1 ZINC001217399846 1134976748 /nfs/dbraw/zinc/97/67/48/1134976748.db2.gz WNTOINWBICUPQS-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN Oc1c2ccoc2ccc1-c1nc(-c2cccc(F)c2)no1 ZINC001217513525 1134982046 /nfs/dbraw/zinc/98/20/46/1134982046.db2.gz DXOUWPQUXJBKSZ-UHFFFAOYSA-N 0 1 296.257 3.995 20 0 CHADMN Cc1n[nH]c2ccc(-c3nc(-c4ccccc4)no3)cc12 ZINC001217574556 1134983787 /nfs/dbraw/zinc/98/37/87/1134983787.db2.gz AEPMUKZPNFUISK-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN Clc1cccc(-c2noc(-c3cccc4cncn43)n2)c1 ZINC001217589518 1134985371 /nfs/dbraw/zinc/98/53/71/1134985371.db2.gz VNHNANSSDZFLJJ-UHFFFAOYSA-N 0 1 296.717 3.705 20 0 CHADMN CN[C@H](c1nnc([C@H]2C[C@H]2c2ccc(C)cc2)o1)C(C)C ZINC001217726872 1134992662 /nfs/dbraw/zinc/99/26/62/1134992662.db2.gz KAWFBMMNHBUXJK-KKUMJFAQSA-N 0 1 285.391 3.566 20 0 CHADMN Cc1ccc(-c2nnc([C@](C)(N)CC(C)C)o2)cc1C ZINC001217733411 1134992773 /nfs/dbraw/zinc/99/27/73/1134992773.db2.gz NPIUJWFXSCFNHJ-MRXNPFEDSA-N 0 1 273.380 3.573 20 0 CHADMN C[C@H]1CCC[C@H](C)C1OCc1cccc2nc[nH]c21 ZINC001217893300 1135018203 /nfs/dbraw/zinc/01/82/03/1135018203.db2.gz MRFDFHQCVKUATM-RYUDHWBXSA-N 0 1 258.365 3.904 20 0 CHADMN CCCCC[C@H](Oc1n[nH]c2c1CNCC2)c1ccccc1 ZINC001218356609 1135093193 /nfs/dbraw/zinc/09/31/93/1135093193.db2.gz DVQLHZJQIWCHQR-KRWDZBQOSA-N 0 1 299.418 3.756 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)[C@@H]2NCc3ccccc32)cc1 ZINC001218808700 1135119963 /nfs/dbraw/zinc/11/99/63/1135119963.db2.gz JFWGPZFRTWILDB-SCLBCKFNSA-N 0 1 294.398 3.983 20 0 CHADMN Cc1cccc2nc(C(=O)Nc3ccc4cc[nH]c4c3)[nH]c21 ZINC001218944740 1135123677 /nfs/dbraw/zinc/12/36/77/1135123677.db2.gz AQUBUMRKNKXFAR-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3cnccc3N)c21 ZINC001219039923 1135126165 /nfs/dbraw/zinc/12/61/65/1135126165.db2.gz FSFKOCGNLRCFBD-LLVKDONJSA-N 0 1 295.386 3.531 20 0 CHADMN CCC1(NC(=O)c2n[nH]c3ccc(F)cc32)CCCCC1 ZINC001220338582 1135150251 /nfs/dbraw/zinc/15/02/51/1135150251.db2.gz DUQXZORXFVIYTE-UHFFFAOYSA-N 0 1 289.354 3.545 20 0 CHADMN CCCCc1nc(Cl)c(CN2C[C@@H]3CCC[C@H]3C2)[nH]1 ZINC000193967448 1135157277 /nfs/dbraw/zinc/15/72/77/1135157277.db2.gz QLXFKOQXUAJQSD-RYUDHWBXSA-N 0 1 281.831 3.638 20 0 CHADMN CCCN(CCC)Cc1cccc(O)c1Br ZINC000315694552 1135158654 /nfs/dbraw/zinc/15/86/54/1135158654.db2.gz RPYLKWGEFYAKRP-UHFFFAOYSA-N 0 1 286.213 3.777 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cccc(O)c1Br ZINC000316036324 1135164022 /nfs/dbraw/zinc/16/40/22/1135164022.db2.gz HTVBZCYUPQLYSM-GFCCVEGCSA-N 0 1 298.224 3.919 20 0 CHADMN [O-]c1cc(F)c(-c2ccccc2C2CC[NH2+]CC2)cc1F ZINC001222083074 1135190302 /nfs/dbraw/zinc/19/03/02/1135190302.db2.gz MDDOOEOWLVKJIM-UHFFFAOYSA-N 0 1 289.325 3.804 20 0 CHADMN CCOc1ccc(-c2cc3[nH]cnc3cc2C)c(C)n1 ZINC001222106532 1135193012 /nfs/dbraw/zinc/19/30/12/1135193012.db2.gz LWBPPJZFSGYQCS-UHFFFAOYSA-N 0 1 267.332 3.640 20 0 CHADMN Cc1ccc(OC(C)C)cc1-c1[nH]ccc2ncnc1-2 ZINC001222127571 1135196729 /nfs/dbraw/zinc/19/67/29/1135196729.db2.gz OIEINLNCOMDNJA-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN Cc1ccc(OC(C)C)cc1-c1nccc2[nH]cnc21 ZINC001222127571 1135196733 /nfs/dbraw/zinc/19/67/33/1135196733.db2.gz OIEINLNCOMDNJA-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN COCc1ccc(Cl)c(-c2cccc3cncn32)c1 ZINC001222273949 1135216844 /nfs/dbraw/zinc/21/68/44/1135216844.db2.gz OBZZNOYSBDXKTK-UHFFFAOYSA-N 0 1 272.735 3.801 20 0 CHADMN COc1c(F)c(C)ccc1-c1cc2[nH]cnc2cc1C ZINC001222304579 1135221933 /nfs/dbraw/zinc/22/19/33/1135221933.db2.gz DTZCGHLJANPKLR-UHFFFAOYSA-N 0 1 270.307 3.994 20 0 CHADMN COc1c(F)c(C)ccc1-c1cc2nc[nH]c2cc1F ZINC001222321765 1135225482 /nfs/dbraw/zinc/22/54/82/1135225482.db2.gz DQZHPGSLHNHSAL-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN Cc1ccc([C@@H](OCc2cnc[nH]2)C(F)(F)F)cc1 ZINC001223001558 1135293923 /nfs/dbraw/zinc/29/39/23/1135293923.db2.gz ZXBKWWLTVOUQJZ-GFCCVEGCSA-N 0 1 270.254 3.538 20 0 CHADMN O=C(c1ccccc1)[C@@H](OCc1cnc[nH]1)c1ccccc1 ZINC001223001478 1135294018 /nfs/dbraw/zinc/29/40/18/1135294018.db2.gz YOZCHXOQZMMXMC-SFHVURJKSA-N 0 1 292.338 3.551 20 0 CHADMN FCCN1CCC(OCc2cccc3c2CCCC3)CC1 ZINC001223787042 1135384227 /nfs/dbraw/zinc/38/42/27/1135384227.db2.gz LZLXWXYMUZQPSD-UHFFFAOYSA-N 0 1 291.410 3.516 20 0 CHADMN FCCN1CCC(OCc2ccc3c(c2)CCCC3)CC1 ZINC001223939606 1135400277 /nfs/dbraw/zinc/40/02/77/1135400277.db2.gz FBSQLQJXBJPDII-UHFFFAOYSA-N 0 1 291.410 3.516 20 0 CHADMN CC(C)N1CC(OCCCCCCOc2ccccc2)C1 ZINC001224937082 1135495258 /nfs/dbraw/zinc/49/52/58/1135495258.db2.gz WKRTXTSVTZWECQ-UHFFFAOYSA-N 0 1 291.435 3.735 20 0 CHADMN Cc1ccccc1O[C@@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001225216891 1135516542 /nfs/dbraw/zinc/51/65/42/1135516542.db2.gz OKZNFRSYWMLTPE-DLBZAZTESA-N 0 1 296.414 3.994 20 0 CHADMN [S-]c1ccccc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001225583310 1135590272 /nfs/dbraw/zinc/59/02/72/1135590272.db2.gz DPBMKCOJRWSPRV-HNNXBMFYSA-N 0 1 285.412 3.629 20 0 CHADMN CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccccc1[S-])C2 ZINC001225588982 1135591754 /nfs/dbraw/zinc/59/17/54/1135591754.db2.gz YYRANMRSMLWKNA-WDNDVIMCSA-N 0 1 277.433 3.758 20 0 CHADMN CCN1CC[C@H](Oc2ccc(C(F)(F)F)cc2Cl)C1 ZINC001225921491 1135638679 /nfs/dbraw/zinc/63/86/79/1135638679.db2.gz VOUNZWPNNKSLKP-JTQLQIEISA-N 0 1 293.716 3.832 20 0 CHADMN Cc1ccc(O[C@@H]2CCC[N@H+](C(C)C)C2)c(F)c1F ZINC001225944618 1135642396 /nfs/dbraw/zinc/64/23/96/1135642396.db2.gz OUJHRPWEPFJGFT-GFCCVEGCSA-N 0 1 269.335 3.525 20 0 CHADMN FC(F)(F)[C@@H](Oc1cccc2[nH]nnc21)c1ccccc1 ZINC001225991407 1135649432 /nfs/dbraw/zinc/64/94/32/1135649432.db2.gz AOOMXXXRIOAFQN-ZDUSSCGKSA-N 0 1 293.248 3.640 20 0 CHADMN CCN1CC[C@H](Oc2c(C)cc(C)cc2Br)C1 ZINC001226292793 1135681492 /nfs/dbraw/zinc/68/14/92/1135681492.db2.gz OQLBBGYBPUDSTM-LBPRGKRZSA-N 0 1 298.224 3.539 20 0 CHADMN CCC[C@@H](Oc1n[nH]c2ncccc12)c1ccc(OC)cc1 ZINC001226305113 1135682600 /nfs/dbraw/zinc/68/26/00/1135682600.db2.gz HNAAIHUISMCPOP-OAHLLOKOSA-N 0 1 297.358 3.887 20 0 CHADMN CCC[C@@H](Oc1n[nH]c2ncccc12)c1ccccc1 ZINC001226304625 1135682649 /nfs/dbraw/zinc/68/26/49/1135682649.db2.gz DKEMWOQXYSYCOL-CQSZACIVSA-N 0 1 267.332 3.878 20 0 CHADMN CCC[C@H](C)[C@H](Oc1n[nH]c2ncccc12)C(C)C ZINC001226306352 1135682795 /nfs/dbraw/zinc/68/27/95/1135682795.db2.gz SRAZWGPTHRYYCG-WCQYABFASA-N 0 1 261.369 3.798 20 0 CHADMN CCC[C@@H]1CCCC[C@@H]1Oc1n[nH]c2ncccc12 ZINC001226306540 1135683330 /nfs/dbraw/zinc/68/33/30/1135683330.db2.gz UMSWBCVPUFZJRW-YPMHNXCESA-N 0 1 259.353 3.696 20 0 CHADMN Nc1cc(O[C@@H]2CCc3ccccc32)c2ccccc2n1 ZINC001226418932 1135694381 /nfs/dbraw/zinc/69/43/81/1135694381.db2.gz SWMAXLGSVHDODK-MRXNPFEDSA-N 0 1 276.339 3.883 20 0 CHADMN Nc1cc(O[C@@H]2CCOc3ccccc32)c2ccccc2n1 ZINC001226417974 1135694746 /nfs/dbraw/zinc/69/47/46/1135694746.db2.gz FJAMMQZBDXGDSV-MRXNPFEDSA-N 0 1 292.338 3.720 20 0 CHADMN Cc1ccc2nc(OCc3cccnc3OC(C)C)[nH]c2c1 ZINC001226507975 1135705454 /nfs/dbraw/zinc/70/54/54/1135705454.db2.gz HBJQKFCXBVJUBF-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN Cc1ccc2nc(O[C@H](C)c3cc(C)cnc3F)[nH]c2c1 ZINC001226507860 1135705579 /nfs/dbraw/zinc/70/55/79/1135705579.db2.gz FFXCWABSPJHNMK-LLVKDONJSA-N 0 1 285.322 3.854 20 0 CHADMN O=C1CC[C@@H](Oc2ccc3nc[nH]c3c2)c2ccccc21 ZINC001226928638 1135761822 /nfs/dbraw/zinc/76/18/22/1135761822.db2.gz OITXRJLFUNUUNQ-QGZVFWFLSA-N 0 1 278.311 3.660 20 0 CHADMN Cc1ccccc1[C@H](C)Oc1[nH]c(=O)nc2ccccc21 ZINC001226977120 1135770077 /nfs/dbraw/zinc/77/00/77/1135770077.db2.gz MMLVHAXLPRRTGL-LBPRGKRZSA-N 0 1 280.327 3.784 20 0 CHADMN C[C@@H](Oc1nc2ccc(Cl)cc2[nH]1)c1nccs1 ZINC001227266931 1135812583 /nfs/dbraw/zinc/81/25/83/1135812583.db2.gz UUSQMAOPSRSYRX-SSDOTTSWSA-N 0 1 279.752 3.813 20 0 CHADMN C[C@H](COC(C)(C)C)Oc1nc2ccc(Cl)cc2[nH]1 ZINC001227262727 1135812742 /nfs/dbraw/zinc/81/27/42/1135812742.db2.gz VFPITHPRCTWWSJ-SECBINFHSA-N 0 1 282.771 3.799 20 0 CHADMN Cc1cccc2nc(OC[C@H](C)OCc3ccccc3)[nH]c21 ZINC001227268298 1135814589 /nfs/dbraw/zinc/81/45/89/1135814589.db2.gz NJSULXGVQDIFAP-AWEZNQCLSA-N 0 1 296.370 3.855 20 0 CHADMN C[C@@H](NCc1ccc(CO)o1)c1ccc(C2CC2)cc1 ZINC000575108995 334931803 /nfs/dbraw/zinc/93/18/03/334931803.db2.gz YNVCOXBRDGRNOI-GFCCVEGCSA-N 0 1 271.360 3.500 20 0 CHADMN CCn1cccc1CN(C)Cc1ccc(F)cc1C ZINC000353686902 529547149 /nfs/dbraw/zinc/54/71/49/529547149.db2.gz YNYBPRCOJGPDMN-UHFFFAOYSA-N 0 1 260.356 3.588 20 0 CHADMN CC[C@H](NCCO[C@@H]1CCCC[C@@H]1C)c1nccs1 ZINC000347920052 529604108 /nfs/dbraw/zinc/60/41/08/529604108.db2.gz NVKRGPBUAFJCHA-MELADBBJSA-N 0 1 282.453 3.779 20 0 CHADMN CCc1ccc(CN2CCc3ccccc3[C@H]2C)cn1 ZINC000347799734 529644282 /nfs/dbraw/zinc/64/42/82/529644282.db2.gz BHJONOAQWIPWHX-CQSZACIVSA-N 0 1 266.388 3.763 20 0 CHADMN CCc1ccc(CN2C[C@H](C)[C@H]2c2ccccc2)cn1 ZINC000347907996 529645418 /nfs/dbraw/zinc/64/54/18/529645418.db2.gz GJPDQOYNHHWLNY-KSSFIOAISA-N 0 1 266.388 3.837 20 0 CHADMN CCc1ccc(CNCc2cccc(OC(F)F)c2)cn1 ZINC000352786794 529653280 /nfs/dbraw/zinc/65/32/80/529653280.db2.gz JSNVCCVTMYWVCV-UHFFFAOYSA-N 0 1 292.329 3.535 20 0 CHADMN CCc1ccc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)cn1 ZINC000352778146 529655035 /nfs/dbraw/zinc/65/50/35/529655035.db2.gz GBKQGRPGXZYBFU-MOPGFXCFSA-N 0 1 296.414 3.654 20 0 CHADMN CC[C@H](N[C@@H](CO)c1sccc1C)c1ccccc1F ZINC000352849103 529655282 /nfs/dbraw/zinc/65/52/82/529655282.db2.gz MTFSXIFAMKWJAC-GJZGRUSLSA-N 0 1 293.407 3.970 20 0 CHADMN CCc1ccc(CN(CC)[C@@H](C)c2cccc(O)c2)cn1 ZINC000347613569 529637694 /nfs/dbraw/zinc/63/76/94/529637694.db2.gz OTCPRYGQCWPSOG-AWEZNQCLSA-N 0 1 284.403 3.933 20 0 CHADMN CCc1ccc(CN(Cc2cccc(F)c2)C2CC2)cn1 ZINC000347617441 529637880 /nfs/dbraw/zinc/63/78/80/529637880.db2.gz TXPDCKIPCSJMJL-UHFFFAOYSA-N 0 1 284.378 3.948 20 0 CHADMN CC[C@H](NCc1noc(-c2ccsc2)n1)C(C)(C)C ZINC000343587406 529639004 /nfs/dbraw/zinc/63/90/04/529639004.db2.gz GHEBVMHXSCQSAE-NSHDSACASA-N 0 1 279.409 3.712 20 0 CHADMN CC[C@H](C)CN1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000347305616 529658803 /nfs/dbraw/zinc/65/88/03/529658803.db2.gz LXTFMEDRMROZGP-GXTWGEPZSA-N 0 1 277.412 3.910 20 0 CHADMN CCc1ccc(CN[C@H]2CCCc3c(O)cccc32)cn1 ZINC000352708429 529657898 /nfs/dbraw/zinc/65/78/98/529657898.db2.gz WYCVMOXXAXLFEW-KRWDZBQOSA-N 0 1 282.387 3.517 20 0 CHADMN CN(C/C=C\c1ccc(F)cc1F)Cc1ccncc1 ZINC000350461214 529820592 /nfs/dbraw/zinc/82/05/92/529820592.db2.gz MQSUEECRUGBGRQ-IHWYPQMZSA-N 0 1 274.314 3.505 20 0 CHADMN CN(Cc1cccc(Cl)c1)Cc1cc(O)cc(F)c1 ZINC000352010993 529994264 /nfs/dbraw/zinc/99/42/64/529994264.db2.gz MUPFXTKNRFDIKH-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CCCCCF)CC(=O)[O-] ZINC000517759175 260234010 /nfs/dbraw/zinc/23/40/10/260234010.db2.gz LRELLRZVTPGSCI-HNNXBMFYSA-N 0 1 281.371 3.664 20 0 CHADMN CC[C@H](N[C@H](C)c1nc(C(C)(C)C)no1)C(C)(C)C ZINC000517964920 260327572 /nfs/dbraw/zinc/32/75/72/260327572.db2.gz BCJAWLWWGLYRGH-MNOVXSKESA-N 0 1 267.417 3.842 20 0 CHADMN Cc1ccsc1CN[C@@H](C)c1cn2ccccc2n1 ZINC000566473499 370703829 /nfs/dbraw/zinc/70/38/29/370703829.db2.gz BSOHGTFSXUQDLJ-LBPRGKRZSA-N 0 1 271.389 3.555 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1ncc(C(C)(C)C)s1 ZINC000448337644 261118524 /nfs/dbraw/zinc/11/85/24/261118524.db2.gz RRUCVZLNPKRPLU-QWRGUYRKSA-N 0 1 252.427 3.813 20 0 CHADMN C[C@@H]1CCN(Cc2ncc(C(C)(C)C)s2)C[C@H]1C ZINC000448337059 261118729 /nfs/dbraw/zinc/11/87/29/261118729.db2.gz LGWYNEPYBHIFIW-VXGBXAGGSA-N 0 1 266.454 3.919 20 0 CHADMN CC[C@H](CN(CC)Cc1nnc(C2CC2)o1)c1ccccc1 ZINC000574499347 335024009 /nfs/dbraw/zinc/02/40/09/335024009.db2.gz JVRBNIWQQVEOBP-CQSZACIVSA-N 0 1 299.418 3.963 20 0 CHADMN CC(C)[C@H](NCc1noc2ccccc12)c1cccnc1 ZINC000574650475 335037136 /nfs/dbraw/zinc/03/71/36/335037136.db2.gz ATWGFUIUQGBITM-KRWDZBQOSA-N 0 1 281.359 3.710 20 0 CHADMN CC(C)(NCc1cc[nH]c1)c1ccccc1Br ZINC000179328623 261779753 /nfs/dbraw/zinc/77/97/53/261779753.db2.gz HDKVIKJISGUTLR-UHFFFAOYSA-N 0 1 293.208 3.802 20 0 CHADMN Fc1cc(Cl)ccc1CN1CC[C@H](c2ccncc2)C1 ZINC000574711011 335042003 /nfs/dbraw/zinc/04/20/03/335042003.db2.gz BYPCRVFAWWXGII-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1cc(C(=O)[O-])ccc1Cl ZINC000574884241 335055196 /nfs/dbraw/zinc/05/51/96/335055196.db2.gz OAGRAPBVLBVQHK-GWCFXTLKSA-N 0 1 281.783 3.801 20 0 CHADMN Cc1cccc([C@H](C)N[C@H](C)c2nccnc2C)c1 ZINC000219243034 260000195 /nfs/dbraw/zinc/00/01/95/260000195.db2.gz XGFSPBQYWNYJLX-GXTWGEPZSA-N 0 1 255.365 3.505 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2ccnn2C)c(C)s1 ZINC000192249382 262200299 /nfs/dbraw/zinc/20/02/99/262200299.db2.gz ZAOYJJDQFJLAFZ-WDEREUQCSA-N 0 1 263.410 3.510 20 0 CHADMN CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103042 260035334 /nfs/dbraw/zinc/03/53/34/260035334.db2.gz YZBGMORRMMIQIQ-KRWDZBQOSA-N 0 1 287.378 3.599 20 0 CHADMN CC[C@H](O)CN(Cc1ccccc1)Cc1ccccc1F ZINC000036103042 260035337 /nfs/dbraw/zinc/03/53/37/260035337.db2.gz YZBGMORRMMIQIQ-KRWDZBQOSA-N 0 1 287.378 3.599 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2ccc(F)cc21)c1cncs1 ZINC000336464357 533521189 /nfs/dbraw/zinc/52/11/89/533521189.db2.gz KIQWSDIAUXHUSW-ZWNOBZJWSA-N 0 1 292.379 3.847 20 0 CHADMN C[C@@H](NCc1ccccn1)c1ccc(C2CC2)cc1 ZINC000418106681 533461184 /nfs/dbraw/zinc/46/11/84/533461184.db2.gz CHLCOZDMUPRALV-CYBMUJFWSA-N 0 1 252.361 3.810 20 0 CHADMN COc1ccc(CN(C)Cc2ccoc2C)cc1C ZINC000352671580 533544080 /nfs/dbraw/zinc/54/40/80/533544080.db2.gz OBINEQGWIWRGGX-UHFFFAOYSA-N 0 1 259.349 3.537 20 0 CHADMN CSCCCN1CCCn2c(cc3ccccc32)C1 ZINC000347506308 533564898 /nfs/dbraw/zinc/56/48/98/533564898.db2.gz AXFTUQLPVVKZPF-UHFFFAOYSA-N 0 1 274.433 3.600 20 0 CHADMN COc1ccc(CN2CCc3ccccc3[C@@H]2C)cc1OC ZINC000353399867 533570626 /nfs/dbraw/zinc/57/06/26/533570626.db2.gz DYXLNYRQZFKAFU-AWEZNQCLSA-N 0 1 297.398 3.823 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000344470225 533625525 /nfs/dbraw/zinc/62/55/25/533625525.db2.gz WSWQCTCBHRRPDH-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN Cc1nccc(NCc2coc3ccccc23)c1Cl ZINC000352827933 533639590 /nfs/dbraw/zinc/63/95/90/533639590.db2.gz LUMKUMXMPAQKBP-UHFFFAOYSA-N 0 1 272.735 3.824 20 0 CHADMN Clc1cccc(CN2CC[C@H]3OCC[C@H]3C2)c1Cl ZINC000366749350 130064199 /nfs/dbraw/zinc/06/41/99/130064199.db2.gz YYLHSOWPGGSKRL-GXFFZTMASA-N 0 1 286.202 3.604 20 0 CHADMN Cc1cc(C)n(CCN[C@H](C)c2ccc(F)cc2Cl)n1 ZINC000341836089 130080620 /nfs/dbraw/zinc/08/06/20/130080620.db2.gz DCDUJMHCNRPNCF-GFCCVEGCSA-N 0 1 295.789 3.643 20 0 CHADMN Fc1ccc(Cl)cc1CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000342023633 130205652 /nfs/dbraw/zinc/20/56/52/130205652.db2.gz RASCEJRMWYBZIV-GJZGRUSLSA-N 0 1 283.774 3.623 20 0 CHADMN Fc1ccc(Cl)cc1CN1CCC2(CCOCC2)CC1 ZINC000341986685 130209168 /nfs/dbraw/zinc/20/91/68/130209168.db2.gz FGCBFXCMTHKHIR-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN Fc1c(Cl)cccc1CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000342043024 130216570 /nfs/dbraw/zinc/21/65/70/130216570.db2.gz FXKOEIMETLITSF-ZIAGYGMSSA-N 0 1 283.774 3.623 20 0 CHADMN Cc1noc(CN(CC(C)C)[C@@H](C)c2ccccc2C)n1 ZINC000342055991 130225582 /nfs/dbraw/zinc/22/55/82/130225582.db2.gz ZXKYHFVDXCQCEW-AWEZNQCLSA-N 0 1 287.407 3.906 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H]3CCC[C@@H](C)C3)ccc12 ZINC000354989920 533672704 /nfs/dbraw/zinc/67/27/04/533672704.db2.gz LAQLJMJBSZRKEZ-PWSUYJOCSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1ccc(NS(=O)(=O)c2ccccc2Cl)c(C)c1 ZINC000006315783 170190748 /nfs/dbraw/zinc/19/07/48/170190748.db2.gz NNNMUYQVUXZZRN-UHFFFAOYSA-N 0 1 295.791 3.758 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1CC(=O)Nc1ccc(Cl)cc1 ZINC000009997570 170393896 /nfs/dbraw/zinc/39/38/96/170393896.db2.gz DFTFKPPZLGJRKG-TXEJJXNPSA-N 0 1 280.799 3.541 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1[C@H](C)CCC[C@@H]1C ZINC000009997638 170394150 /nfs/dbraw/zinc/39/41/50/170394150.db2.gz LRXJRTBHEZDKOT-BETUJISGSA-N 0 1 294.826 3.850 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2ccccn2)c(C)c1 ZINC000020123225 171004095 /nfs/dbraw/zinc/00/40/95/171004095.db2.gz MKNXMRDFEQFUTI-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN C[C@H](NCc1ccc(Cl)s1)c1ccccn1 ZINC000020123827 171005871 /nfs/dbraw/zinc/00/58/71/171005871.db2.gz OETIFSAIQMJQQW-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cccnc2)c(OC)c1 ZINC000020127829 171013958 /nfs/dbraw/zinc/01/39/58/171013958.db2.gz YMVBRFNUHHDODC-CHWSQXEVSA-N 0 1 286.375 3.511 20 0 CHADMN C[C@H](N[C@@H]1CCCc2occc21)c1ccc2c(c1)OCO2 ZINC000020204451 171069561 /nfs/dbraw/zinc/06/95/61/171069561.db2.gz KHCQCULLNZSAOF-SMDDNHRTSA-N 0 1 285.343 3.737 20 0 CHADMN CCc1nnc(SCc2ccc(C(F)(F)F)cc2)[nH]1 ZINC000022543381 171390517 /nfs/dbraw/zinc/39/05/17/171390517.db2.gz POPKCKFNAKJHRI-UHFFFAOYSA-N 0 1 287.310 3.678 20 0 CHADMN CCc1n[nH]c(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000022543381 171390519 /nfs/dbraw/zinc/39/05/19/171390519.db2.gz POPKCKFNAKJHRI-UHFFFAOYSA-N 0 1 287.310 3.678 20 0 CHADMN Nc1ccc(F)cc1-c1nc2ccc(Cl)cc2[nH]1 ZINC000034939071 171898411 /nfs/dbraw/zinc/89/84/11/171898411.db2.gz PMBSEUUEJAVAHD-UHFFFAOYSA-N 0 1 261.687 3.605 20 0 CHADMN CCN[C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000035539681 172245559 /nfs/dbraw/zinc/24/55/59/172245559.db2.gz PIMHLYMXDQZPQL-ZDUSSCGKSA-N 0 1 298.155 3.880 20 0 CHADMN O=C([O-])C[C@H]1CCCC[N@H+]1Cc1cccc2ccccc21 ZINC000038027756 174013432 /nfs/dbraw/zinc/01/34/32/174013432.db2.gz NHCIITBMODLJHE-MRXNPFEDSA-N 0 1 283.371 3.669 20 0 CHADMN O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1cccc2ccccc21 ZINC000038027757 174014000 /nfs/dbraw/zinc/01/40/00/174014000.db2.gz NHCIITBMODLJHE-INIZCTEOSA-N 0 1 283.371 3.669 20 0 CHADMN Cc1ncsc1CN[C@H](C)c1ccccc1Cl ZINC000071212272 176084295 /nfs/dbraw/zinc/08/42/95/176084295.db2.gz DHRFCEPSIAPCCS-SECBINFHSA-N 0 1 266.797 3.956 20 0 CHADMN FC(F)(F)c1ccc(-c2nc(CN3CCCC3)co2)cc1 ZINC000072102777 176316031 /nfs/dbraw/zinc/31/60/31/176316031.db2.gz AHCDPRYSDMPACF-UHFFFAOYSA-N 0 1 296.292 3.956 20 0 CHADMN Cc1c([C@H](C)N[C@H](C)c2ccccc2Cl)cnn1C ZINC000037167556 260072893 /nfs/dbraw/zinc/07/28/93/260072893.db2.gz XQFJNFSOXLSYQJ-MNOVXSKESA-N 0 1 277.799 3.794 20 0 CHADMN COc1ccccc1/C=C/CN1CCC(C(F)(F)F)CC1 ZINC000179964307 260083851 /nfs/dbraw/zinc/08/38/51/260083851.db2.gz XRXHSQXSHUJHGH-GQCTYLIASA-N 0 1 299.336 3.983 20 0 CHADMN Cc1ccc(C)c([C@H](C)N(C)C(=O)c2cnc(C3CC3)[nH]2)c1 ZINC000343649006 224823264 /nfs/dbraw/zinc/82/32/64/224823264.db2.gz OEXYPDZKPILIGU-ZDUSSCGKSA-N 0 1 297.402 3.737 20 0 CHADMN Cc1ccoc1CNCc1cccc(OCC(F)F)c1 ZINC000344278951 225013716 /nfs/dbraw/zinc/01/37/16/225013716.db2.gz YTMUGJQHPOSUBD-UHFFFAOYSA-N 0 1 281.302 3.522 20 0 CHADMN CSc1ccccc1CN1CCCc2occc2C1 ZINC000344294339 225019759 /nfs/dbraw/zinc/01/97/59/225019759.db2.gz ULVHSIGEOVIBFS-UHFFFAOYSA-N 0 1 273.401 3.950 20 0 CHADMN Cc1cc(C(=O)Nc2ccc3nc[nH]c3c2)c(C)n1C1CC1 ZINC000344451024 225060983 /nfs/dbraw/zinc/06/09/83/225060983.db2.gz CBGQQGBENZUPCV-UHFFFAOYSA-N 0 1 294.358 3.568 20 0 CHADMN Cc1ccc2nc(NC(=O)CCCC(F)(F)F)[nH]c2c1 ZINC000344486905 225084012 /nfs/dbraw/zinc/08/40/12/225084012.db2.gz RYHSYWCAXGVIHB-UHFFFAOYSA-N 0 1 285.269 3.542 20 0 CHADMN COC[C@@H](NCc1ccc(C)s1)c1ccc(F)cc1 ZINC000344596954 225114604 /nfs/dbraw/zinc/11/46/04/225114604.db2.gz BVJNIUGIBUYAJW-OAHLLOKOSA-N 0 1 279.380 3.673 20 0 CHADMN c1ccc(-c2nnc(CN3CC[C@H]4CCC[C@@H]43)s2)cc1 ZINC000334659223 225261107 /nfs/dbraw/zinc/26/11/07/225261107.db2.gz CYRZSTVAURAYEF-OCCSQVGLSA-N 0 1 285.416 3.580 20 0 CHADMN Cc1cnc([C@@H](C)[N@H+]2CC[C@H](c3ccccc3C)C2)cn1 ZINC000334709012 225283408 /nfs/dbraw/zinc/28/34/08/225283408.db2.gz UDEUBIIGQXDQBH-CVEARBPZSA-N 0 1 281.403 3.644 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC(c2c[nH]cn2)CC1 ZINC000334903741 225359444 /nfs/dbraw/zinc/35/94/44/225359444.db2.gz GJFVVHONBAUJHQ-LLVKDONJSA-N 0 1 291.345 3.629 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2COCc3ccccc32)cs1 ZINC000334908751 225361902 /nfs/dbraw/zinc/36/19/02/225361902.db2.gz NBZVXONDEAKGQF-LRDDRELGSA-N 0 1 273.401 3.979 20 0 CHADMN C[C@H](N(C)Cc1nc2c(s1)C[C@H](C)CC2)C1(C)CC1 ZINC000355085188 227384843 /nfs/dbraw/zinc/38/48/43/227384843.db2.gz XHQQGBHYHAJEFY-NEPJUHHUSA-N 0 1 278.465 3.888 20 0 CHADMN COc1ccncc1CN(C)[C@@H](c1ccccc1)C(C)C ZINC000347060602 226009373 /nfs/dbraw/zinc/00/93/73/226009373.db2.gz SVUARCVUKGIEIZ-GOSISDBHSA-N 0 1 284.403 3.919 20 0 CHADMN c1ccc2c(c1)N(Cc1n[nH]c(C3CC3)n1)CC21CCCC1 ZINC000347480620 226180088 /nfs/dbraw/zinc/18/00/88/226180088.db2.gz FNQIVSBVPHGYME-UHFFFAOYSA-N 0 1 294.402 3.514 20 0 CHADMN Cc1cccc(CN(Cc2ccco2)C2CCCC2)n1 ZINC000347360934 226135581 /nfs/dbraw/zinc/13/55/81/226135581.db2.gz GWAONDHRTMIRNQ-UHFFFAOYSA-N 0 1 270.376 3.928 20 0 CHADMN C[C@H](N[C@H]1CSC[C@H]1C)c1ncc(-c2ccccc2)o1 ZINC000367002345 226203433 /nfs/dbraw/zinc/20/34/33/226203433.db2.gz JJYRILFHTXVBDJ-DYEKYZERSA-N 0 1 288.416 3.744 20 0 CHADMN Cc1cc(CN2CCN(c3cccs3)CC2)c(C)s1 ZINC000354117294 226909540 /nfs/dbraw/zinc/90/95/40/226909540.db2.gz QIBMCFYLRKZADK-UHFFFAOYSA-N 0 1 292.473 3.749 20 0 CHADMN Cc1nccc(N2CCO[C@@H](c3cccs3)C2)c1Cl ZINC000354155178 226921017 /nfs/dbraw/zinc/92/10/17/226921017.db2.gz IZTFGZPYGUFIDJ-GFCCVEGCSA-N 0 1 294.807 3.683 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1coc2ccccc12 ZINC000354496066 227015832 /nfs/dbraw/zinc/01/58/32/227015832.db2.gz WNKZRRNLKSEXFQ-UHFFFAOYSA-N 0 1 277.283 3.561 20 0 CHADMN CCOc1ccc(CN(C)[C@@H](C)c2ccccn2)cc1 ZINC000194154723 227076310 /nfs/dbraw/zinc/07/63/10/227076310.db2.gz KWOJOGAZVZGNNJ-AWEZNQCLSA-N 0 1 270.376 3.673 20 0 CHADMN c1oc2ccccc2c1CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000354716654 227080464 /nfs/dbraw/zinc/08/04/64/227080464.db2.gz YEWCNGDCHDLFEL-QZTJIDSGSA-N 0 1 283.371 3.576 20 0 CHADMN Cc1ccc(-c2nc(CN[C@@H]3CSC[C@H]3C)cs2)o1 ZINC000352791973 227227883 /nfs/dbraw/zinc/22/78/83/227227883.db2.gz KFDJTHKIIXGKSH-BXKDBHETSA-N 0 1 294.445 3.553 20 0 CHADMN Cc1ccc(-c2nc(CN[C@H]3CSC[C@@H]3C)cs2)o1 ZINC000352791974 227228009 /nfs/dbraw/zinc/22/80/09/227228009.db2.gz KFDJTHKIIXGKSH-CABZTGNLSA-N 0 1 294.445 3.553 20 0 CHADMN C[C@H]1CSC[C@@H]1NCc1csc(C2CCCC2)n1 ZINC000352801206 227240087 /nfs/dbraw/zinc/24/00/87/227240087.db2.gz RYDJKKVGVOGZRP-GWCFXTLKSA-N 0 1 282.478 3.642 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1csc(Br)c1 ZINC000354993859 227293320 /nfs/dbraw/zinc/29/33/20/227293320.db2.gz PPNNSTLRBZJZQV-IUCAKERBSA-N 0 1 274.227 3.883 20 0 CHADMN Cc1nn2c(CN3[C@H](C)CC[C@@H]3C)c(C(C)C)nc2s1 ZINC000354991721 227293742 /nfs/dbraw/zinc/29/37/42/227293742.db2.gz IARVTPILNOHDLS-PHIMTYICSA-N 0 1 292.452 3.595 20 0 CHADMN CCOc1ncccc1CNCc1ccc(SC)s1 ZINC000352836884 227313037 /nfs/dbraw/zinc/31/30/37/227313037.db2.gz XRNKJKALWHYWII-UHFFFAOYSA-N 0 1 294.445 3.554 20 0 CHADMN Cc1cc(NCCOC(C)C)c2cc(F)ccc2n1 ZINC000302142374 227804492 /nfs/dbraw/zinc/80/44/92/227804492.db2.gz PNFSVEMVKYVJNW-UHFFFAOYSA-N 0 1 262.328 3.519 20 0 CHADMN CCn1cncc1CN[C@H]1CCCc2sc(Cl)cc21 ZINC000418067861 228000210 /nfs/dbraw/zinc/00/02/10/228000210.db2.gz PNURWDLKIAGIRV-LBPRGKRZSA-N 0 1 295.839 3.785 20 0 CHADMN FC(F)[C@H]1C[C@@H]1NCc1ccc(Sc2ccccn2)o1 ZINC000353489500 228110226 /nfs/dbraw/zinc/11/02/26/228110226.db2.gz CEYZDBYFWGCYDP-QWRGUYRKSA-N 0 1 296.342 3.569 20 0 CHADMN C[C@H]1CCCN(Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356091536 228116845 /nfs/dbraw/zinc/11/68/45/228116845.db2.gz SLNBJCGTIFUGSU-JTQLQIEISA-N 0 1 273.298 3.643 20 0 CHADMN Cc1cc(C)cc(CN[C@H]2COCc3ccccc32)c1 ZINC000418096396 228038493 /nfs/dbraw/zinc/03/84/93/228038493.db2.gz IMUQYYIFERGGOJ-SFHVURJKSA-N 0 1 267.372 3.665 20 0 CHADMN Cc1sc2ncnc(N[C@@H]3CCCc4cn[nH]c43)c2c1C ZINC000330127702 228045645 /nfs/dbraw/zinc/04/56/45/228045645.db2.gz DGXNFXBOTQMDGU-LLVKDONJSA-N 0 1 299.403 3.521 20 0 CHADMN CO[C@H](CNCc1ncc(C(C)(C)C)s1)CC(C)C ZINC000418099105 228047663 /nfs/dbraw/zinc/04/76/63/228047663.db2.gz PGKHTVWBMJXWEC-LBPRGKRZSA-N 0 1 284.469 3.591 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H]2CCc3ccc(C(C)C)cc32)c1C ZINC000331721351 228121064 /nfs/dbraw/zinc/12/10/64/228121064.db2.gz KPYMWXGZURNQSQ-MRXNPFEDSA-N 0 1 297.402 3.567 20 0 CHADMN COc1ccc([C@H](C)NCc2ccoc2C)c(C)c1OC ZINC000353392951 228094480 /nfs/dbraw/zinc/09/44/80/228094480.db2.gz IBOWADXBDBKADK-LBPRGKRZSA-N 0 1 289.375 3.764 20 0 CHADMN C[C@H](O)C[C@H]1CCCN1Cc1cscc1C(F)(F)F ZINC000356108889 228123778 /nfs/dbraw/zinc/12/37/78/228123778.db2.gz JUFFGSAFUYBKNX-GXSJLCMTSA-N 0 1 293.354 3.502 20 0 CHADMN c1csc(-c2cc(-c3nc(C4CCCC4)no3)[nH]n2)c1 ZINC000356116121 228127228 /nfs/dbraw/zinc/12/72/28/228127228.db2.gz SZGGZQYBLZGUTC-UHFFFAOYSA-N 0 1 286.360 3.846 20 0 CHADMN Cc1ccc(C)c([C@@H]2CN(Cc3ccn(C)c3)[C@@H](C)CO2)c1 ZINC000353667732 228142343 /nfs/dbraw/zinc/14/23/43/228142343.db2.gz VMEVSHSFRGJUIK-LPHOPBHVSA-N 0 1 298.430 3.604 20 0 CHADMN C[C@@H]1COCCN(Cc2c(Cl)oc3ccccc32)C1 ZINC000353705381 228146780 /nfs/dbraw/zinc/14/67/80/228146780.db2.gz FJTJBKRREAAVRM-NSHDSACASA-N 0 1 279.767 3.555 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(F)c3cccnc23)n1 ZINC000353747131 228150362 /nfs/dbraw/zinc/15/03/62/228150362.db2.gz OCBZCSREDPAGMK-UHFFFAOYSA-N 0 1 295.361 3.709 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](c2nccn2C)C2CC2)c(C)c1 ZINC000353864737 228160650 /nfs/dbraw/zinc/16/06/50/228160650.db2.gz JFAYCTWZMULGTP-WMLDXEAASA-N 0 1 283.419 3.839 20 0 CHADMN C[C@H](N[C@H](c1nccn1C)C1CC1)c1ccc2c(c1)CCC2 ZINC000353868585 228160893 /nfs/dbraw/zinc/16/08/93/228160893.db2.gz PVNQUSFFHBFNKG-UGSOOPFHSA-N 0 1 295.430 3.711 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@@H](c2nccn2C)C2CC2)c1 ZINC000353883454 228162348 /nfs/dbraw/zinc/16/23/48/228162348.db2.gz UESGGKRNFCLEOA-RHSMWYFYSA-N 0 1 283.419 3.839 20 0 CHADMN Cc1ncccc1CN[C@@H]1CCCOc2ccc(F)cc21 ZINC000335938329 228167317 /nfs/dbraw/zinc/16/73/17/228167317.db2.gz LAYDTRVVRPZYHN-MRXNPFEDSA-N 0 1 286.350 3.533 20 0 CHADMN C[C@@H](C(=O)Nc1cc(Cl)c(O)cc1F)c1ccccc1 ZINC000335957219 228169457 /nfs/dbraw/zinc/16/94/57/228169457.db2.gz HJBIHAWFGKDPNF-SECBINFHSA-N 0 1 293.725 3.927 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CC[C@H](C)F)[C@H](C)CO1 ZINC000352023826 228175372 /nfs/dbraw/zinc/17/53/72/228175372.db2.gz AVBQHDKPKKTVAP-LZWOXQAQSA-N 0 1 265.372 3.505 20 0 CHADMN Cc1ncc(CN2CCC[C@H](C(F)(F)F)[C@H]2C)s1 ZINC000336083312 228185337 /nfs/dbraw/zinc/18/53/37/228185337.db2.gz LHTDROZHAHORTB-KCJUWKMLSA-N 0 1 278.343 3.614 20 0 CHADMN FC(F)C1(NCC[C@@H]2CCCCO2)CCCCC1 ZINC000352218962 228200580 /nfs/dbraw/zinc/20/05/80/228200580.db2.gz AONCXYLLCJTVDU-LBPRGKRZSA-N 0 1 261.356 3.503 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1cc2cccnc2o1 ZINC000336226345 228217725 /nfs/dbraw/zinc/21/77/25/228217725.db2.gz RZWDTXXPLQRSSJ-ZWNOBZJWSA-N 0 1 298.308 3.991 20 0 CHADMN Cc1cnccc1CN1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000336225895 228217764 /nfs/dbraw/zinc/21/77/64/228217764.db2.gz BJGAJPXPDPZDIP-AAEUAGOBSA-N 0 1 272.314 3.553 20 0 CHADMN COC[C@H](C)N(C)Cc1c(Cl)oc2ccccc21 ZINC000352309835 228218395 /nfs/dbraw/zinc/21/83/95/228218395.db2.gz COABAWPTPOAFBW-JTQLQIEISA-N 0 1 267.756 3.553 20 0 CHADMN CCCn1nc(C)c(CN(C)Cc2ccc(C)cc2)c1C ZINC000179601933 260057898 /nfs/dbraw/zinc/05/78/98/260057898.db2.gz OHASEWKPOUKHHT-UHFFFAOYSA-N 0 1 285.435 3.850 20 0 CHADMN Cc1cccn2c(CN(C)[C@H](C)c3ccccc3)cnc12 ZINC000179701730 260065028 /nfs/dbraw/zinc/06/50/28/260065028.db2.gz WUDRMGDUUKBIGT-OAHLLOKOSA-N 0 1 279.387 3.836 20 0 CHADMN CCN(Cc1cccs1)Cc1cnc2c(C)cccn12 ZINC000179720598 260065275 /nfs/dbraw/zinc/06/52/75/260065275.db2.gz UCYWWVXQYYVVDC-UHFFFAOYSA-N 0 1 285.416 3.726 20 0 CHADMN Cc1ccc(CCC2CCN(Cc3c[nH]cn3)CC2)cc1 ZINC000179847409 260077163 /nfs/dbraw/zinc/07/71/63/260077163.db2.gz GAYCVEDNNDNFQE-UHFFFAOYSA-N 0 1 283.419 3.563 20 0 CHADMN Cc1ccc(NS(=O)(=O)c2cccc(C)c2F)c(C)c1 ZINC000180464557 260102993 /nfs/dbraw/zinc/10/29/93/260102993.db2.gz UDFUUKNMIUYNBG-UHFFFAOYSA-N 0 1 293.363 3.552 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccccc2F)c1 ZINC000037486733 260110678 /nfs/dbraw/zinc/11/06/78/260110678.db2.gz QUTOVICFBSGEBG-GFCCVEGCSA-N 0 1 259.324 3.685 20 0 CHADMN COc1ccc(CN[C@H]2CCCc3occc32)cc1F ZINC000037502766 260113548 /nfs/dbraw/zinc/11/35/48/260113548.db2.gz QJGFMCIRLLANAI-AWEZNQCLSA-N 0 1 275.323 3.595 20 0 CHADMN COCc1ccccc1CN[C@@H](C)c1ccccc1F ZINC000037762660 260116587 /nfs/dbraw/zinc/11/65/87/260116587.db2.gz MUMSGGFUPIEYFD-ZDUSSCGKSA-N 0 1 273.351 3.823 20 0 CHADMN CCC[C@@](C)(O)CNCc1cc(Cl)sc1Cl ZINC000312584066 260159867 /nfs/dbraw/zinc/15/98/67/260159867.db2.gz OVCXNOMWOGQENG-LLVKDONJSA-N 0 1 282.236 3.696 20 0 CHADMN CC1(C)Cc2cccc(CNCc3cccs3)c2O1 ZINC000078005683 260167958 /nfs/dbraw/zinc/16/79/58/260167958.db2.gz JBPVJNGCFYYOAR-UHFFFAOYSA-N 0 1 273.401 3.751 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2ccc(F)cc2F)cc1 ZINC000078514457 260168003 /nfs/dbraw/zinc/16/80/03/260168003.db2.gz MZRYXWITRXFHIS-LBPRGKRZSA-N 0 1 291.341 3.962 20 0 CHADMN COC[C@@H](NCc1cc(Cl)sc1Cl)C(C)C ZINC000309480771 260170693 /nfs/dbraw/zinc/17/06/93/260170693.db2.gz SZWHVELBTYWKAW-SECBINFHSA-N 0 1 282.236 3.816 20 0 CHADMN COCc1cccc(CNCc2ccccc2OC(C)C)c1 ZINC000080141749 260178331 /nfs/dbraw/zinc/17/83/31/260178331.db2.gz GMHJXJSUOKAEIX-UHFFFAOYSA-N 0 1 299.414 3.910 20 0 CHADMN C[C@H](NC1CC(c2ccccc2F)C1)c1nccs1 ZINC000080265433 260179222 /nfs/dbraw/zinc/17/92/22/260179222.db2.gz VYRGXTYDKLGOQL-UNXYVOJBSA-N 0 1 276.380 3.879 20 0 CHADMN Cc1cc(C)c(C[N@H+](Cc2ccccc2)C[C@H](C)O)c(C)c1 ZINC000525487980 260200053 /nfs/dbraw/zinc/20/00/53/260200053.db2.gz WGWBBRUKMHKDFU-SFHVURJKSA-N 0 1 297.442 3.995 20 0 CHADMN C[C@H](C1CCCCC1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000086725118 260209473 /nfs/dbraw/zinc/20/94/73/260209473.db2.gz PZCOPTUUYGZAID-CYBMUJFWSA-N 0 1 275.392 3.785 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2o1 ZINC000086755025 260209599 /nfs/dbraw/zinc/20/95/99/260209599.db2.gz YWJNKOMTHUMZQG-AWEZNQCLSA-N 0 1 287.359 3.652 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809351 260209899 /nfs/dbraw/zinc/20/98/99/260209899.db2.gz SLTCCBIBLSCRFY-QWHCGFSZSA-N 0 1 295.810 3.978 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2csc(C)n2)C12CCCCC2 ZINC000087299361 260212835 /nfs/dbraw/zinc/21/28/35/260212835.db2.gz QCGBMCNEBMWHAQ-CABCVRRESA-N 0 1 294.464 3.669 20 0 CHADMN CCO[C@@H]1C[C@H](NCc2csc(C)n2)C12CCCCC2 ZINC000087299356 260213183 /nfs/dbraw/zinc/21/31/83/260213183.db2.gz QCGBMCNEBMWHAQ-LSDHHAIUSA-N 0 1 294.464 3.669 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@@H](C)c2c(F)cccc2F)C12CCC2 ZINC000087710273 260218137 /nfs/dbraw/zinc/21/81/37/260218137.db2.gz RCXSQGXNBZBMRN-TUKIKUTGSA-N 0 1 295.373 3.963 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1cc2ccccc2o1 ZINC000222490211 260222420 /nfs/dbraw/zinc/22/24/20/260222420.db2.gz VATKGBLIKZIZKJ-WDEREUQCSA-N 0 1 255.321 3.568 20 0 CHADMN COCc1ccc(CN[C@H](C)c2cc(C)oc2C)cc1 ZINC000088568331 260233946 /nfs/dbraw/zinc/23/39/46/260233946.db2.gz SAVOLETZCXLHOK-CYBMUJFWSA-N 0 1 273.376 3.894 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cncn1C(C)C ZINC000090207933 260239131 /nfs/dbraw/zinc/23/91/31/260239131.db2.gz ZLGDJGSMGAVOBD-CQSZACIVSA-N 0 1 287.407 3.632 20 0 CHADMN C[N@@H+](CCc1ccccc1C(=O)[O-])[C@H]1CCc2ccccc21 ZINC000317505736 260240986 /nfs/dbraw/zinc/24/09/86/260240986.db2.gz PBZZGBPERQZYJX-SFHVURJKSA-N 0 1 295.382 3.547 20 0 CHADMN CCc1ccccc1CNCc1ccnn1C1CCCC1 ZINC000449162357 260263938 /nfs/dbraw/zinc/26/39/38/260263938.db2.gz IVFPNCOMUZUCIC-UHFFFAOYSA-N 0 1 283.419 3.850 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccc(F)cn2)cc1 ZINC000092196160 260267617 /nfs/dbraw/zinc/26/76/17/260267617.db2.gz JRVGZTRFQYRKGO-QWHCGFSZSA-N 0 1 258.340 3.941 20 0 CHADMN CCCOc1ccc([C@@H](C)NCc2c(C)noc2C)cc1 ZINC000092328734 260269285 /nfs/dbraw/zinc/26/92/85/260269285.db2.gz VJVYLDOYMUTMBP-GFCCVEGCSA-N 0 1 288.391 3.931 20 0 CHADMN Cc1cnc(CN2CCC[C@@H]2c2cccc(C)c2C)o1 ZINC000075766968 260292133 /nfs/dbraw/zinc/29/21/33/260292133.db2.gz WTEKFAQTIBGWFF-MRXNPFEDSA-N 0 1 270.376 3.937 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000516932288 260299136 /nfs/dbraw/zinc/29/91/36/260299136.db2.gz ILRUQBJWBHCPDS-QGZVFWFLSA-N 0 1 275.392 3.787 20 0 CHADMN Cc1nc(CN2CCC(C)(C3CC3)CC2)nc2ccccc12 ZINC000517784696 260307115 /nfs/dbraw/zinc/30/71/15/260307115.db2.gz LPWMIXACEXSASA-UHFFFAOYSA-N 0 1 295.430 3.950 20 0 CHADMN Cc1ccc(-c2n[nH]c(S[C@H]3C=CCCC3)n2)cc1 ZINC000518173345 260348515 /nfs/dbraw/zinc/34/85/15/260348515.db2.gz GZCVLSBNONUAMW-ZDUSSCGKSA-N 0 1 271.389 3.981 20 0 CHADMN CC1(C)CCN(Cc2ccc(Br)s2)C1 ZINC000085697156 260378569 /nfs/dbraw/zinc/37/85/69/260378569.db2.gz JPDHXWVQIKIJLV-UHFFFAOYSA-N 0 1 274.227 3.743 20 0 CHADMN C[C@@H](NCc1ccoc1)c1ccc(Br)s1 ZINC000129078523 260381955 /nfs/dbraw/zinc/38/19/55/260381955.db2.gz ABUIMTHBJCDZBP-MRVPVSSYSA-N 0 1 286.194 3.954 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCC[C@H](C)[C@@H]1C ZINC000050565875 260698890 /nfs/dbraw/zinc/69/88/90/260698890.db2.gz PBHJEGKDELCFHJ-KBPBESRZSA-N 0 1 289.419 3.908 20 0 CHADMN Cc1cc(F)ccc1[C@@H]1CCCN1Cc1ccnc(C)n1 ZINC000449731542 260825222 /nfs/dbraw/zinc/82/52/22/260825222.db2.gz IZDFXNCVSVFRAP-KRWDZBQOSA-N 0 1 285.366 3.570 20 0 CHADMN Cc1ccccc1CNCc1ccc2c(n1)CCCC2 ZINC000444013631 260946104 /nfs/dbraw/zinc/94/61/04/260946104.db2.gz YWPGDWRLMZKVCW-UHFFFAOYSA-N 0 1 266.388 3.559 20 0 CHADMN CCCC(CCC)c1nc(C2(N)CCCCC2)no1 ZINC000211980145 260947237 /nfs/dbraw/zinc/94/72/37/260947237.db2.gz LMPHWRFLYHGAHH-UHFFFAOYSA-N 0 1 265.401 3.872 20 0 CHADMN CO[C@@H](C)CN(Cc1csc(-c2ccoc2)n1)C(C)C ZINC000354439220 261054900 /nfs/dbraw/zinc/05/49/00/261054900.db2.gz BEJGBNWXKOVBCJ-LBPRGKRZSA-N 0 1 294.420 3.648 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnn(CC)c1)c1ccc(F)cc1F ZINC000151823448 261055852 /nfs/dbraw/zinc/05/58/52/261055852.db2.gz YEDPNAHAWNMQTB-BDJLRTHQSA-N 0 1 293.361 3.983 20 0 CHADMN Cc1noc(C)c1C[C@H](C)N[C@H](C)c1c(F)cccc1F ZINC000152151103 261060310 /nfs/dbraw/zinc/06/03/10/261060310.db2.gz VEUDDMLKLYJKDW-GXSJLCMTSA-N 0 1 294.345 3.851 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccccc2-n2ccnc2)o1 ZINC000152271070 261062117 /nfs/dbraw/zinc/06/21/17/261062117.db2.gz DURRXYVUHXGGJG-CQSZACIVSA-N 0 1 295.386 3.879 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccc(F)cc21)c1ccccn1 ZINC000152373667 261063517 /nfs/dbraw/zinc/06/35/17/261063517.db2.gz IRZLRWBMHMEDGU-MEDUHNTESA-N 0 1 256.324 3.559 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2cncs2)cc1F ZINC000152778538 261069663 /nfs/dbraw/zinc/06/96/63/261069663.db2.gz QYPBBXZULSRNNI-SNVBAGLBSA-N 0 1 280.368 3.532 20 0 CHADMN CCOc1ccccc1[C@@H](CC)N[C@H](C)c1cnn(C)c1 ZINC000153954653 261085765 /nfs/dbraw/zinc/08/57/65/261085765.db2.gz IYEIWMAEEXAIJF-CZUORRHYSA-N 0 1 287.407 3.621 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(-n2cccn2)cc1)c1cncs1 ZINC000154052324 261087134 /nfs/dbraw/zinc/08/71/34/261087134.db2.gz TZSBUYRCNIIURV-CHWSQXEVSA-N 0 1 298.415 3.741 20 0 CHADMN CCc1ccc([C@H](C)NCc2cc(OC)ccn2)cc1 ZINC000154322624 261090259 /nfs/dbraw/zinc/09/02/59/261090259.db2.gz UCZVRQYZXHUYAW-ZDUSSCGKSA-N 0 1 270.376 3.503 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2ccncc2F)C1 ZINC000449030123 261113422 /nfs/dbraw/zinc/11/34/22/261113422.db2.gz QQNINXLSFBNNKD-OAHLLOKOSA-N 0 1 250.361 3.623 20 0 CHADMN c1cc(CN2CCC[C@H]3CCC[C@@H]32)n(-c2ccccc2)n1 ZINC000448336123 261117544 /nfs/dbraw/zinc/11/75/44/261117544.db2.gz ZPQPDVCGISRSKF-QAPCUYQASA-N 0 1 281.403 3.637 20 0 CHADMN Cc1cccc(NC[C@@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC000157236539 261143206 /nfs/dbraw/zinc/14/32/06/261143206.db2.gz JXYTYFIAWXLEPN-FUHWJXTLSA-N 0 1 282.387 3.970 20 0 CHADMN Cc1ccc(CNCc2ccnn2C2CCCC2)cc1F ZINC000449066763 261145212 /nfs/dbraw/zinc/14/52/12/261145212.db2.gz FKWQFYDDEVWLRQ-UHFFFAOYSA-N 0 1 287.382 3.736 20 0 CHADMN C[C@@H](N[C@@H](C)C1CCCC1)c1nc(C(C)(C)C)no1 ZINC000172168319 261152339 /nfs/dbraw/zinc/15/23/39/261152339.db2.gz AULBEBZLHSKNQA-WDEREUQCSA-N 0 1 265.401 3.596 20 0 CHADMN CC[C@H](C)c1cc(C(=O)Nc2cccc(Cl)c2O)on1 ZINC000173474496 261163331 /nfs/dbraw/zinc/16/33/31/261163331.db2.gz MFLBWVYWULNWID-QMMMGPOBSA-N 0 1 294.738 3.799 20 0 CHADMN CCCN(C)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000158298709 261163441 /nfs/dbraw/zinc/16/34/41/261163441.db2.gz LGSLCWHZONCHMY-UHFFFAOYSA-N 0 1 291.420 3.519 20 0 CHADMN C[C@H](NCc1ccn(C)c1)c1ccccc1OC(F)(F)F ZINC000158465643 261165445 /nfs/dbraw/zinc/16/54/45/261165445.db2.gz FHANNDBTTXCBPG-NSHDSACASA-N 0 1 298.308 3.775 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc(Cc2ccccc2)no1)C1CCCC1 ZINC000173777580 261169648 /nfs/dbraw/zinc/16/96/48/261169648.db2.gz UOGXMUQRPHPDBU-KGLIPLIRSA-N 0 1 299.418 3.890 20 0 CHADMN Cc1ccc(-c2nc(CN3CC[C@H](C)[C@@H]3C)cs2)o1 ZINC000361341092 261209895 /nfs/dbraw/zinc/20/98/95/261209895.db2.gz MBNWDVXYHVHUMR-JQWIXIFHSA-N 0 1 276.405 3.942 20 0 CHADMN CC[C@@]1(C)CCCN([C@@H](C)C(=O)Nc2ccccc2C)C1 ZINC000464772560 261225366 /nfs/dbraw/zinc/22/53/66/261225366.db2.gz HLOCEZQXFGFVLH-YJBOKZPZSA-N 0 1 288.435 3.834 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)C[C@@H](O)CC(F)(F)F ZINC000249379529 261250468 /nfs/dbraw/zinc/25/04/68/261250468.db2.gz QFERPDYKAJSROC-ZJUUUORDSA-N 0 1 295.732 3.646 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@H](C)c2ncc(C)o2)C12CCCCC2 ZINC000300713524 261257395 /nfs/dbraw/zinc/25/73/95/261257395.db2.gz YLVOBGLQMJKZTH-RBSFLKMASA-N 0 1 292.423 3.762 20 0 CHADMN CCS[C@@H]1CC[C@H](N(C)Cc2nc(C)c(C)s2)C1 ZINC000176386546 261281138 /nfs/dbraw/zinc/28/11/38/261281138.db2.gz KFMMWWNRNGJGBV-QWHCGFSZSA-N 0 1 284.494 3.866 20 0 CHADMN CC[C@@H](N[C@H](C)c1cccnc1Cl)c1ccncc1 ZINC000163679503 261325292 /nfs/dbraw/zinc/32/52/92/261325292.db2.gz ZVHQUVXDODSQPV-BXUZGUMPSA-N 0 1 275.783 3.932 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN(C)[C@@H](C)C1(C)CC1 ZINC000177213763 261339756 /nfs/dbraw/zinc/33/97/56/261339756.db2.gz GRQBAFMUMWTADQ-AWEZNQCLSA-N 0 1 288.435 3.869 20 0 CHADMN CC[C@H](C)CN1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000491133989 261344315 /nfs/dbraw/zinc/34/43/15/261344315.db2.gz UXYPZXAFKILZNL-LRDDRELGSA-N 0 1 265.372 3.554 20 0 CHADMN C[C@H](NCc1cccc(Br)n1)c1cccs1 ZINC000164206253 261344360 /nfs/dbraw/zinc/34/43/60/261344360.db2.gz KHXBYSHZFBYOOG-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN CC(C)Cc1noc(CN2CC[C@@H](c3ccccc3)[C@H]2C)n1 ZINC000177539822 261361392 /nfs/dbraw/zinc/36/13/92/261361392.db2.gz XVGOBGGINOJJEO-GDBMZVCRSA-N 0 1 299.418 3.646 20 0 CHADMN C[C@@H](NCCOCC1CC1)c1ccc(F)cc1Cl ZINC000178009120 261374844 /nfs/dbraw/zinc/37/48/44/261374844.db2.gz YOFSEINPVINGQB-SNVBAGLBSA-N 0 1 271.763 3.556 20 0 CHADMN C[C@@H](NCc1cccc(F)c1F)c1ccc2c(c1)OCO2 ZINC000107038148 261375783 /nfs/dbraw/zinc/37/57/83/261375783.db2.gz ZDQHXSYJVQXJED-SNVBAGLBSA-N 0 1 291.297 3.544 20 0 CHADMN CC[C@@H]1CCCCN1C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000178845957 261406860 /nfs/dbraw/zinc/40/68/60/261406860.db2.gz YQYWUTAVKKTGHF-CQSZACIVSA-N 0 1 299.418 3.595 20 0 CHADMN COc1cccc(CN2CCCCC[C@@H]2c2ccncc2)n1 ZINC000171859460 261484608 /nfs/dbraw/zinc/48/46/08/261484608.db2.gz MJYFZURSKOHEAX-QGZVFWFLSA-N 0 1 297.402 3.603 20 0 CHADMN CC[C@H](C)CN(C)Cc1csc(-c2ccccn2)n1 ZINC000171950294 261487659 /nfs/dbraw/zinc/48/76/59/261487659.db2.gz DKQQMVWXSKGHTD-LBPRGKRZSA-N 0 1 275.421 3.683 20 0 CHADMN Cc1ccc(CNCc2ccc(OC(F)F)cc2)nc1C ZINC000313808319 261525343 /nfs/dbraw/zinc/52/53/43/261525343.db2.gz HTFCQULUAQUXGQ-UHFFFAOYSA-N 0 1 292.329 3.590 20 0 CHADMN CC(C)c1nc(CN2C[C@@H](C)CC[C@@H]2C)cs1 ZINC000174476330 261573018 /nfs/dbraw/zinc/57/30/18/261573018.db2.gz POHLKJTYRAFGLV-RYUDHWBXSA-N 0 1 252.427 3.887 20 0 CHADMN O=C(C[C@H]1C=CCC1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179841209 261819348 /nfs/dbraw/zinc/81/93/48/261819348.db2.gz JTJFLOCKELZOPE-VIFPVBQESA-N 0 1 291.301 3.795 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(Cl)nc2)cc1F ZINC000181375601 261895519 /nfs/dbraw/zinc/89/55/19/261895519.db2.gz JEXBOBLPOOMUSR-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN COc1ccc(F)cc1[C@H](C)N[C@H](C)c1cncc(C)c1 ZINC000184285064 262014767 /nfs/dbraw/zinc/01/47/67/262014767.db2.gz QNNCWEHSUWOHCJ-OLZOCXBDSA-N 0 1 288.366 3.950 20 0 CHADMN COc1ccc(Cl)cc1CN[C@H](C)c1cncc(C)c1 ZINC000184325198 262016851 /nfs/dbraw/zinc/01/68/51/262016851.db2.gz DJEUKSJMLLRNBN-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CC(C)c1ccc(CN(C)[C@H](C)c2cnccn2)cc1 ZINC000184430509 262019855 /nfs/dbraw/zinc/01/98/55/262019855.db2.gz LRIHGECXKHQXGQ-CQSZACIVSA-N 0 1 269.392 3.793 20 0 CHADMN CCN(Cc1cccc(Cl)c1)[C@@H](C)c1cnccn1 ZINC000184448121 262020707 /nfs/dbraw/zinc/02/07/07/262020707.db2.gz DXCGDDJYTTZZAE-LBPRGKRZSA-N 0 1 275.783 3.713 20 0 CHADMN CC/C=C/CCN[C@H](c1nc(C2CC2)no1)C(C)C ZINC000184736771 262027969 /nfs/dbraw/zinc/02/79/69/262027969.db2.gz XWJITJMNUPYDBM-GFUIURDCSA-N 0 1 263.385 3.590 20 0 CHADMN CCCCCN[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000185108809 262042062 /nfs/dbraw/zinc/04/20/62/262042062.db2.gz HKMIUPIVURQOEV-GFCCVEGCSA-N 0 1 289.379 3.586 20 0 CHADMN CC[C@@]1(C)CCC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000518783084 262055025 /nfs/dbraw/zinc/05/50/25/262055025.db2.gz YSINBWNQRQAQMO-INIZCTEOSA-N 0 1 279.355 3.536 20 0 CHADMN Cc1cc(CNCC(c2ccccc2)c2ccccc2)no1 ZINC000318793951 262063640 /nfs/dbraw/zinc/06/36/40/262063640.db2.gz LDFYJHGIZIALFT-UHFFFAOYSA-N 0 1 292.382 3.905 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@@H](C)c1cccnc1 ZINC000186083481 262079470 /nfs/dbraw/zinc/07/94/70/262079470.db2.gz FETUSNITHYEZLN-WDEREUQCSA-N 0 1 262.378 3.564 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1cc(O)cc(F)c1 ZINC000186184870 262083953 /nfs/dbraw/zinc/08/39/53/262083953.db2.gz RTKSXEDSEFGWEU-JTQLQIEISA-N 0 1 265.353 3.786 20 0 CHADMN CC(C)c1nc([C@H](C)NCCc2cccnc2)cs1 ZINC000186235277 262085026 /nfs/dbraw/zinc/08/50/26/262085026.db2.gz GHGOYIMOOZTIRK-LBPRGKRZSA-N 0 1 275.421 3.555 20 0 CHADMN FC(F)(F)[C@@H](CNCc1ccco1)c1ccccc1 ZINC000186440157 262093504 /nfs/dbraw/zinc/09/35/04/262093504.db2.gz HQKQPYANGRJOMO-ZDUSSCGKSA-N 0 1 269.266 3.715 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@H](CCO)c2ccco2)c1 ZINC000186525029 262097467 /nfs/dbraw/zinc/09/74/67/262097467.db2.gz HTZIENKQWPPDBC-GOEBONIOSA-N 0 1 273.376 3.671 20 0 CHADMN C[C@@H](NC1(Cc2ccccc2)CC1)c1nccs1 ZINC000186579084 262100515 /nfs/dbraw/zinc/10/05/15/262100515.db2.gz TWHKRFDYVANFCF-GFCCVEGCSA-N 0 1 258.390 3.569 20 0 CHADMN C[C@H](NC1(Cc2ccccc2)CC1)c1nccs1 ZINC000186579061 262100766 /nfs/dbraw/zinc/10/07/66/262100766.db2.gz TWHKRFDYVANFCF-LBPRGKRZSA-N 0 1 258.390 3.569 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)COC(C)(C)O2)c1ccccn1 ZINC000186999170 262120507 /nfs/dbraw/zinc/12/05/07/262120507.db2.gz CYQXRYIJJUHJJX-CYBMUJFWSA-N 0 1 298.386 3.578 20 0 CHADMN Cc1cc(CNCc2cc(F)ccc2F)cs1 ZINC000310231424 262125924 /nfs/dbraw/zinc/12/59/24/262125924.db2.gz ZFJGOJWAJNRPAP-UHFFFAOYSA-N 0 1 253.317 3.625 20 0 CHADMN C[C@H]1CCC[C@@H](C(=O)Nc2cccc(Cl)c2O)C1 ZINC000525755939 262134648 /nfs/dbraw/zinc/13/46/48/262134648.db2.gz CAAOAKBKMQVCGT-VHSXEESVSA-N 0 1 267.756 3.810 20 0 CHADMN Cc1ccnc(NC[C@@H](C)COCc2ccccc2)c1 ZINC000390137611 262137898 /nfs/dbraw/zinc/13/78/98/262137898.db2.gz MWLWPIJAQWQYPA-OAHLLOKOSA-N 0 1 270.376 3.655 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2cncc(F)c2)c(C)o1 ZINC000119419206 262162293 /nfs/dbraw/zinc/16/22/93/262162293.db2.gz FHJYLFGZRRMCKC-QWRGUYRKSA-N 0 1 262.328 3.842 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2CSc3ccccc32)s1 ZINC000310900952 262180934 /nfs/dbraw/zinc/18/09/34/262180934.db2.gz BCJPHFFXKBRZMM-GFCCVEGCSA-N 0 1 276.430 3.697 20 0 CHADMN COCC[C@@H](NC/C=C\c1ccccc1)c1ccco1 ZINC000503905157 262186517 /nfs/dbraw/zinc/18/65/17/262186517.db2.gz YGDZMUGTODBXTM-MEMKZHQFSA-N 0 1 271.360 3.660 20 0 CHADMN C[C@@H](N[C@H](C)c1ccnn1C)c1ccc(Cl)s1 ZINC000192248304 262200646 /nfs/dbraw/zinc/20/06/46/262200646.db2.gz NMTJSUIAXNZINJ-RKDXNWHRSA-N 0 1 269.801 3.547 20 0 CHADMN C[C@@H](N[C@H]1CCCc2occc21)c1ccc2c(c1)OCCO2 ZINC000120773457 262230004 /nfs/dbraw/zinc/23/00/04/262230004.db2.gz WZDPXXWBBQJSGX-DOMZBBRYSA-N 0 1 299.370 3.779 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2Cl)C[C@H](C)S1 ZINC000525786005 262235777 /nfs/dbraw/zinc/23/57/77/262235777.db2.gz BNUXSPMUBVZLEB-PHIMTYICSA-N 0 1 255.814 3.666 20 0 CHADMN O[C@H]1CCC[C@@H](CSc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000488230247 262300337 /nfs/dbraw/zinc/30/03/37/262300337.db2.gz KKLNJBXSNWNSLN-KOLCDFICSA-N 0 1 296.823 3.860 20 0 CHADMN CSC[C@H](C)N[C@@H](C)c1csc(C(C)C)n1 ZINC000186347073 262313915 /nfs/dbraw/zinc/31/39/15/262313915.db2.gz NPTJEMYOSCOFBB-UWVGGRQHSA-N 0 1 258.456 3.669 20 0 CHADMN C[C@@H](C1CC1)N(Cc1ncc(C(C)(C)C)o1)C1CC1 ZINC000521427989 262330925 /nfs/dbraw/zinc/33/09/25/262330925.db2.gz KHICCOMVQAMWMO-NSHDSACASA-N 0 1 262.397 3.735 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc3ccccc3o2)cc1O ZINC000061027696 262391601 /nfs/dbraw/zinc/39/16/01/262391601.db2.gz OJCFCTNVUHWILU-LBPRGKRZSA-N 0 1 297.354 3.998 20 0 CHADMN Cc1cnc(CN[C@H](CC(C)C)c2ccccc2)cn1 ZINC000061320079 262393426 /nfs/dbraw/zinc/39/34/26/262393426.db2.gz DHBVIYGLYRFLBG-QGZVFWFLSA-N 0 1 269.392 3.662 20 0 CHADMN CCC[C@H]1CN(Cc2ccc3nc(C)ccc3c2)CCO1 ZINC000187318496 262399422 /nfs/dbraw/zinc/39/94/22/262399422.db2.gz XTVZCAGPXKOLBT-KRWDZBQOSA-N 0 1 284.403 3.544 20 0 CHADMN CCCc1nc(CN2CCCCC[C@@H]2C[C@@H](C)O)cs1 ZINC000124255572 262537335 /nfs/dbraw/zinc/53/73/35/262537335.db2.gz RTWJULVRNREAJW-UKRRQHHQSA-N 0 1 296.480 3.611 20 0 CHADMN FCC1CCN(Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411792277 262706699 /nfs/dbraw/zinc/70/66/99/262706699.db2.gz QPSAEJBERTZVIM-UHFFFAOYSA-N 0 1 292.329 3.662 20 0 CHADMN CCCNc1ccc(CNCc2cc(OC)cc(C)n2)cc1 ZINC000434761616 262710090 /nfs/dbraw/zinc/71/00/90/262710090.db2.gz AGQZAYFWGOXIRF-UHFFFAOYSA-N 0 1 299.418 3.510 20 0 CHADMN C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccn(C)n1 ZINC000414066441 262800257 /nfs/dbraw/zinc/80/02/57/262800257.db2.gz PKUZRVQEPBEKHL-BDJLRTHQSA-N 0 1 289.810 3.875 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccc(Cl)cc2)C(C)C)nn1 ZINC000414279348 262835248 /nfs/dbraw/zinc/83/52/48/262835248.db2.gz JCOJMUBUDCCUQZ-MRXNPFEDSA-N 0 1 289.810 3.925 20 0 CHADMN CC(C)C[C@H](C)C[C@@H](C)N[C@@H](C)c1csnn1 ZINC000414290611 262837069 /nfs/dbraw/zinc/83/70/69/262837069.db2.gz AEQIVYVCBZMELY-TUAOUCFPSA-N 0 1 255.431 3.650 20 0 CHADMN CSc1ccccc1C[C@@H](C)N[C@@H](C)c1csnn1 ZINC000414293449 262837635 /nfs/dbraw/zinc/83/76/35/262837635.db2.gz CTEFGUYGKHKMKB-MNOVXSKESA-N 0 1 293.461 3.542 20 0 CHADMN C[C@@H]1[C@H](NCc2nnc(C3CC3)s2)C[C@@H]1c1ccccc1 ZINC000414321099 262843229 /nfs/dbraw/zinc/84/32/29/262843229.db2.gz DGYNQPNLUDJOEE-TUKIKUTGSA-N 0 1 299.443 3.697 20 0 CHADMN Cc1cccc(O[C@H](C)CN[C@H](C)c2cscn2)c1 ZINC000271147293 262993683 /nfs/dbraw/zinc/99/36/83/262993683.db2.gz PQCORIVYIFVOQK-CHWSQXEVSA-N 0 1 276.405 3.570 20 0 CHADMN Fc1cccc(Cl)c1CN[C@@H]1C[C@H]1c1ccco1 ZINC000414596530 263003526 /nfs/dbraw/zinc/00/35/26/263003526.db2.gz UXEOVJNTXXKISH-NOZJJQNGSA-N 0 1 265.715 3.718 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1ccccc1F ZINC000272532974 263005825 /nfs/dbraw/zinc/00/58/25/263005825.db2.gz ZUOYLMUDEUWMEE-SJORKVTESA-N 0 1 291.341 3.739 20 0 CHADMN COCC[C@@H](NCc1ccc(Cl)cc1)c1ccco1 ZINC000272578969 263007126 /nfs/dbraw/zinc/00/71/26/263007126.db2.gz PMXQZBYCQHOAKF-CQSZACIVSA-N 0 1 279.767 3.800 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(Cl)cn2)cc1C ZINC000272839487 263009132 /nfs/dbraw/zinc/00/91/32/263009132.db2.gz GISJUTIIMKZPRG-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1cc(C)cc(CCc2nc([C@H](N)CC(C)C)no2)c1 ZINC000414610498 263009231 /nfs/dbraw/zinc/00/92/31/263009231.db2.gz BHXGQWZGQNZVKT-OAHLLOKOSA-N 0 1 287.407 3.518 20 0 CHADMN Cc1c2cc(C)ccc2[nH]c1-c1nc([C@@H](N)CC(C)C)no1 ZINC000414619580 263012613 /nfs/dbraw/zinc/01/26/13/263012613.db2.gz OHHKNPWIMFWQJL-ZDUSSCGKSA-N 0 1 298.390 3.881 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H]2CC23CCCCC3)n1 ZINC000414621340 263013828 /nfs/dbraw/zinc/01/38/28/263013828.db2.gz MAXWXKZUTYNGKL-NEPJUHHUSA-N 0 1 263.385 3.553 20 0 CHADMN C[C@H]1C[C@H](c2nc(C3(N)CCCC3)no2)CC(C)(C)C1 ZINC000414624814 263014952 /nfs/dbraw/zinc/01/49/52/263014952.db2.gz HGNURIFYADHXEG-RYUDHWBXSA-N 0 1 277.412 3.727 20 0 CHADMN CCC1(c2nc([C@H](N)CC(C)C)no2)CCCCC1 ZINC000414623843 263015442 /nfs/dbraw/zinc/01/54/42/263015442.db2.gz UTXUPAPZMQEXSA-GFCCVEGCSA-N 0 1 265.401 3.727 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@H]2Cc1nc(C2(N)CCC2)no1 ZINC000414625540 263016101 /nfs/dbraw/zinc/01/61/01/263016101.db2.gz ITIRRQNXSGEFBD-OLZOCXBDSA-N 0 1 297.402 3.549 20 0 CHADMN C/C(=C\c1ccc(C)cc1)c1nc(C2(N)CCCC2)no1 ZINC000414628800 263016957 /nfs/dbraw/zinc/01/69/57/263016957.db2.gz PGYMTGNWKYROCI-ACCUITESSA-N 0 1 283.375 3.667 20 0 CHADMN Cc1nnc([C@@H](C)N[C@@H](C)Cc2cccc(Cl)c2)s1 ZINC000282691898 263078129 /nfs/dbraw/zinc/07/81/29/263078129.db2.gz PJDSLOYNBMRFMT-VHSXEESVSA-N 0 1 295.839 3.782 20 0 CHADMN CCc1cc(C)cc(CC)c1NS(=O)(=O)c1ccoc1 ZINC000285046472 263089609 /nfs/dbraw/zinc/08/96/09/263089609.db2.gz JPLBNJXIBSKKRD-UHFFFAOYSA-N 0 1 293.388 3.514 20 0 CHADMN CCCc1ccc([C@H](C)NCc2cnccc2OC)cc1 ZINC000293998895 263153862 /nfs/dbraw/zinc/15/38/62/263153862.db2.gz CNOHYGMWYGVBDV-AWEZNQCLSA-N 0 1 284.403 3.894 20 0 CHADMN C[C@@H]1C[C@@H]1[C@H](NCc1cc[nH]n1)c1ccc(Cl)cc1 ZINC000295067593 263171674 /nfs/dbraw/zinc/17/16/74/263171674.db2.gz WAHLUGDJNAKENV-WKPIXPDZSA-N 0 1 275.783 3.550 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H](C)c2ccncn2)c1C ZINC000453117052 263190983 /nfs/dbraw/zinc/19/09/83/263190983.db2.gz IVDJKDLHQYRHNA-KBPBESRZSA-N 0 1 255.365 3.505 20 0 CHADMN CC(C)N(Cc1ccco1)C[C@H](O)c1c(F)cccc1F ZINC000299330987 263239793 /nfs/dbraw/zinc/23/97/93/263239793.db2.gz CBUHCRLCTIUGFB-HNNXBMFYSA-N 0 1 295.329 3.502 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H](C)c1sccc1C ZINC000453343723 263242729 /nfs/dbraw/zinc/24/27/29/263242729.db2.gz IRRHLMHAGRTOBJ-RYUDHWBXSA-N 0 1 263.410 3.685 20 0 CHADMN Cc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccccc3)C[C@@H]2C)n1 ZINC000467552702 263266647 /nfs/dbraw/zinc/26/66/47/263266647.db2.gz GWVFQGIPLMJZJD-RDJZCZTQSA-N 0 1 296.414 3.864 20 0 CHADMN CC[C@H](F)CSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000440576587 263365966 /nfs/dbraw/zinc/36/59/66/263365966.db2.gz QYOBGQXXZXISRA-GFVADAIESA-N 0 1 281.356 3.717 20 0 CHADMN CCCC(=O)Nc1ccc(CNCc2ccc(C)o2)cc1 ZINC000047719481 263815565 /nfs/dbraw/zinc/81/55/65/263815565.db2.gz OYFRPVMLZXAGLO-UHFFFAOYSA-N 0 1 286.375 3.616 20 0 CHADMN CCOC[C@H]1CCCN(Cc2c(F)cc(C)cc2F)C1 ZINC000425334868 264012096 /nfs/dbraw/zinc/01/20/96/264012096.db2.gz HMYMWSZURVBREC-ZDUSSCGKSA-N 0 1 283.362 3.522 20 0 CHADMN CC(C)[C@@H]1CCCC[C@H]1NCc1nc(C(C)(C)C)no1 ZINC000330913739 264076483 /nfs/dbraw/zinc/07/64/83/264076483.db2.gz RYZDXKLHPMSHQM-QWHCGFSZSA-N 0 1 279.428 3.672 20 0 CHADMN CCc1cccc(Cl)c1CNCc1ccn(C)c1 ZINC000353759196 264122699 /nfs/dbraw/zinc/12/26/99/264122699.db2.gz OHLGSLUETFNZGU-UHFFFAOYSA-N 0 1 262.784 3.531 20 0 CHADMN CCO[C@@H]1CCN(Cc2c(F)cc(C)cc2F)C[C@H]1C ZINC000425375127 264204070 /nfs/dbraw/zinc/20/40/70/264204070.db2.gz YQGSOSSFXIYOBM-MLGOLLRUSA-N 0 1 283.362 3.520 20 0 CHADMN Cc1cc(Cl)ccc1CN1CC(CC(F)F)C1 ZINC000425367806 264212839 /nfs/dbraw/zinc/21/28/39/264212839.db2.gz UXENKKWXBAHYTA-UHFFFAOYSA-N 0 1 259.727 3.735 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H](C)c1ccc(C)s1 ZINC000188777860 264242028 /nfs/dbraw/zinc/24/20/28/264242028.db2.gz SORGWUHZBZJQDY-VXGBXAGGSA-N 0 1 276.405 3.872 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2ccc(Cl)cc2F)C1 ZINC000189030445 264269737 /nfs/dbraw/zinc/26/97/37/264269737.db2.gz QHVLGJGCKIZDOD-GFCCVEGCSA-N 0 1 285.790 3.728 20 0 CHADMN CC(C)(CCc1ccccc1)NCc1nc(C(F)F)no1 ZINC000425394270 264274642 /nfs/dbraw/zinc/27/46/42/264274642.db2.gz KHWVZWDAEFCOHI-UHFFFAOYSA-N 0 1 295.333 3.508 20 0 CHADMN CC[C@H](C)[C@H](C)NCc1noc(-c2ccc(F)cc2F)n1 ZINC000189165249 264281443 /nfs/dbraw/zinc/28/14/43/264281443.db2.gz CHPZPYRROTWEFY-UWVGGRQHSA-N 0 1 295.333 3.539 20 0 CHADMN Fc1ccc(CN2CCC([C@H]3CCCO3)CC2)c(Cl)c1 ZINC000189175244 264281574 /nfs/dbraw/zinc/28/15/74/264281574.db2.gz RASZGQCBJIGUOB-MRXNPFEDSA-N 0 1 297.801 3.870 20 0 CHADMN CCCN(Cc1nc(C(F)F)no1)CC1CCCCC1 ZINC000425407255 264284248 /nfs/dbraw/zinc/28/42/48/264284248.db2.gz OSEYUANZLKSFSA-UHFFFAOYSA-N 0 1 287.354 3.800 20 0 CHADMN CN(Cc1nc2ccccc2[nH]1)CC1(c2ccccc2)CC1 ZINC000189303788 264287814 /nfs/dbraw/zinc/28/78/14/264287814.db2.gz PCPWRORGJFWBKY-UHFFFAOYSA-N 0 1 291.398 3.727 20 0 CHADMN CC(C)C[C@@H]1CCCCCN1Cc1nc(C(F)F)no1 ZINC000425415680 264293084 /nfs/dbraw/zinc/29/30/84/264293084.db2.gz HAKDECIGKLUISW-NSHDSACASA-N 0 1 287.354 3.798 20 0 CHADMN CN(Cc1cn2ccsc2n1)CC1(c2ccccc2)CC1 ZINC000189317380 264294593 /nfs/dbraw/zinc/29/45/93/264294593.db2.gz KVTHIRQQKXFCSV-UHFFFAOYSA-N 0 1 297.427 3.559 20 0 CHADMN Cc1cncc(CN2CC[C@H](C)C[C@@H]2c2ccco2)c1 ZINC000189910269 264336088 /nfs/dbraw/zinc/33/60/88/264336088.db2.gz IEWBIRQIGFJDLF-XJKSGUPXSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1cncc(CN2CC[C@@H](C)C[C@@H]2c2ccco2)c1 ZINC000189910287 264336419 /nfs/dbraw/zinc/33/64/19/264336419.db2.gz IEWBIRQIGFJDLF-CZUORRHYSA-N 0 1 270.376 3.956 20 0 CHADMN CC[C@H](NCc1ccc(C)o1)c1ccc2c(c1)OCCO2 ZINC000077507146 264356940 /nfs/dbraw/zinc/35/69/40/264356940.db2.gz DPPADMISEPDQHB-HNNXBMFYSA-N 0 1 287.359 3.600 20 0 CHADMN Cc1ccnc(NCCc2nc3ccccc3s2)c1 ZINC000130967289 264364750 /nfs/dbraw/zinc/36/47/50/264364750.db2.gz CRBZMRSYGQGESI-UHFFFAOYSA-N 0 1 269.373 3.654 20 0 CHADMN CC(C)O[C@H](CN1CCOC(C)(C)[C@@H]1C)c1ccccc1 ZINC000428393440 264369342 /nfs/dbraw/zinc/36/93/42/264369342.db2.gz OACOBIWOPLPIHX-DOTOQJQBSA-N 0 1 291.435 3.652 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnn(C(C)C)c1)c1c(C)noc1C ZINC000090887556 264412927 /nfs/dbraw/zinc/41/29/27/264412927.db2.gz KECDDBWALDEVMS-XHDPSFHLSA-N 0 1 290.411 3.871 20 0 CHADMN Cc1sccc1CNCc1ccccc1OC(F)F ZINC000294318263 265011346 /nfs/dbraw/zinc/01/13/46/265011346.db2.gz XRRFGYRMTXKQCR-UHFFFAOYSA-N 0 1 283.343 3.948 20 0 CHADMN Cc1ccc2ncc(C[N@@H+]3C[C@H](C(N)=O)CC[C@@H]3C)cc2c1 ZINC000334566851 265051828 /nfs/dbraw/zinc/05/18/28/265051828.db2.gz QWZDIKKBIMWYDC-DZGCQCFKSA-N 0 1 297.402 3.679 20 0 CHADMN Fc1cncc(CN2CCC(Cc3ccccc3)CC2)c1 ZINC000314676644 265175343 /nfs/dbraw/zinc/17/53/43/265175343.db2.gz QLXPHFIYZPGLSG-UHFFFAOYSA-N 0 1 284.378 3.675 20 0 CHADMN C[C@H](O)C[C@@H]1CCCN1Cc1cccc(Cl)c1Cl ZINC000093483242 265182457 /nfs/dbraw/zinc/18/24/57/265182457.db2.gz NKAUFBBXTZTEEL-JQWIXIFHSA-N 0 1 288.218 3.729 20 0 CHADMN CC1(C)CC[N@@H+](Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000094805581 265256363 /nfs/dbraw/zinc/25/63/63/265256363.db2.gz LYUQELXZFPGDTQ-UHFFFAOYSA-N 0 1 289.400 3.831 20 0 CHADMN Cc1nc(CCN2CC[C@@](F)(c3ccccc3)C2)cs1 ZINC000519003380 265293916 /nfs/dbraw/zinc/29/39/16/265293916.db2.gz KDLSTEAIAJCIOS-INIZCTEOSA-N 0 1 290.407 3.565 20 0 CHADMN C[C@@H]1CCC[C@H]1Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000519030914 265300028 /nfs/dbraw/zinc/30/00/28/265300028.db2.gz VYJLPPMTFJMXAF-MNOVXSKESA-N 0 1 282.347 3.592 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)[C@H]1C ZINC000519700889 265553879 /nfs/dbraw/zinc/55/38/79/265553879.db2.gz FDHVAYDGLRNCTH-MNOVXSKESA-N 0 1 281.783 3.659 20 0 CHADMN CSc1ccc(CN2CCC[C@H](n3cccn3)C2)s1 ZINC000356212485 266073057 /nfs/dbraw/zinc/07/30/57/266073057.db2.gz FRVLKVDCOGYBDC-LBPRGKRZSA-N 0 1 293.461 3.504 20 0 CHADMN Cc1cnc([C@H](C)NCCc2c(F)cccc2Cl)o1 ZINC000356300812 266092034 /nfs/dbraw/zinc/09/20/34/266092034.db2.gz FXCXKIYJZDRKCK-JTQLQIEISA-N 0 1 282.746 3.669 20 0 CHADMN Cc1cn[nH]c1CNc1cccc(Oc2ccccn2)c1 ZINC000356428131 266112050 /nfs/dbraw/zinc/11/20/50/266112050.db2.gz YXDWIFAJGBQFDN-UHFFFAOYSA-N 0 1 280.331 3.518 20 0 CHADMN c1ccc(-c2n[nH]c(SCCC3CCCC3)n2)nc1 ZINC000356570711 266139992 /nfs/dbraw/zinc/13/99/92/266139992.db2.gz BTCRZOVLINQTIR-UHFFFAOYSA-N 0 1 274.393 3.539 20 0 CHADMN CCC[C@@H](NCc1ccccc1N(C)C)c1ccccn1 ZINC000356909301 266209611 /nfs/dbraw/zinc/20/96/11/266209611.db2.gz BWORHRMRSOLPBX-MRXNPFEDSA-N 0 1 283.419 3.779 20 0 CHADMN CC[C@@]1(C)C[C@H]1c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000356922434 266211210 /nfs/dbraw/zinc/21/12/10/266211210.db2.gz NFAZNOXBURVPAP-ZBEGNZNMSA-N 0 1 282.347 3.825 20 0 CHADMN Cc1ccsc1-c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000356962233 266220068 /nfs/dbraw/zinc/22/00/68/266220068.db2.gz LMLDQRGIHGZNHY-UHFFFAOYSA-N 0 1 282.328 3.650 20 0 CHADMN Cc1ccc(O)c(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)n1 ZINC000356999175 266228639 /nfs/dbraw/zinc/22/86/39/266228639.db2.gz OZSVZWJGKKADTL-MQNTZWLQSA-N 0 1 294.398 3.773 20 0 CHADMN CCS[C@H]1CCCCN([C@@H](C)c2ncc(C)o2)C1 ZINC000357005081 266230896 /nfs/dbraw/zinc/23/08/96/266230896.db2.gz QUESIGAWHZLAOI-STQMWFEESA-N 0 1 268.426 3.652 20 0 CHADMN C[C@@H](C1CCC1)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000357009498 266231831 /nfs/dbraw/zinc/23/18/31/266231831.db2.gz JWEXPIAIDKZCNR-QMMMGPOBSA-N 0 1 278.343 3.782 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN(C)[C@@H](C)C1CCC1 ZINC000357033677 266236883 /nfs/dbraw/zinc/23/68/83/266236883.db2.gz HXGGXRISSBHWCJ-ZDUSSCGKSA-N 0 1 284.403 3.779 20 0 CHADMN c1cn(C2CCCC2)nc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000357272236 266269843 /nfs/dbraw/zinc/26/98/43/266269843.db2.gz LIGZXNGXCRWHKG-YOEHRIQHSA-N 0 1 273.424 3.763 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1ccn(C2CCCC2)n1 ZINC000357303230 266273054 /nfs/dbraw/zinc/27/30/54/266273054.db2.gz MCQLGPWBBJARPO-UONOGXRCSA-N 0 1 261.413 3.619 20 0 CHADMN CSc1cc(CNCc2ccc(Cl)s2)ccn1 ZINC000357366616 266284399 /nfs/dbraw/zinc/28/43/99/266284399.db2.gz MHODPDQGCOCTPP-UHFFFAOYSA-N 0 1 284.837 3.808 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1csc([C@@H](C)OC)n1 ZINC000357550988 266321686 /nfs/dbraw/zinc/32/16/86/266321686.db2.gz JFOYMWCHAHZQMH-DMDPSCGWSA-N 0 1 268.426 3.613 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1csc(N(C)C2CC2)n1 ZINC000357557207 266322957 /nfs/dbraw/zinc/32/29/57/266322957.db2.gz WKXQKPGIWOJIQG-YPMHNXCESA-N 0 1 279.453 3.505 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1csc(N(C)C2CC2)n1 ZINC000357557205 266323279 /nfs/dbraw/zinc/32/32/79/266323279.db2.gz WKXQKPGIWOJIQG-DGCLKSJQSA-N 0 1 279.453 3.505 20 0 CHADMN CCCN(CCC)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000357651139 266340438 /nfs/dbraw/zinc/34/04/38/266340438.db2.gz QRADPMXGWIWPPL-UHFFFAOYSA-N 0 1 293.798 3.611 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ncnc2sccc21 ZINC000357749391 266355805 /nfs/dbraw/zinc/35/58/05/266355805.db2.gz QXQIDIRLEQONOC-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN CCOc1cc(C)ccc1CN[C@@H](C)c1cnccc1C ZINC000357777400 266359287 /nfs/dbraw/zinc/35/92/87/266359287.db2.gz IXSOXKLIAGINDA-HNNXBMFYSA-N 0 1 284.403 3.948 20 0 CHADMN C[C@H](NCc1ccc(C2CC2)cc1)c1cncs1 ZINC000357795747 266364766 /nfs/dbraw/zinc/36/47/66/266364766.db2.gz QRAWPPYODMUKBQ-NSHDSACASA-N 0 1 258.390 3.871 20 0 CHADMN CC[C@H](NCc1ccc(C2CC2)cc1)c1ccn(C)n1 ZINC000357804185 266367066 /nfs/dbraw/zinc/36/70/66/266367066.db2.gz XEVJKEWPZXVBPP-INIZCTEOSA-N 0 1 269.392 3.538 20 0 CHADMN C[C@H](NC[C@H]1SCCc2ccccc21)c1nccs1 ZINC000357803017 266367948 /nfs/dbraw/zinc/36/79/48/266367948.db2.gz ZOCRPCKBROVYLD-SMDDNHRTSA-N 0 1 290.457 3.824 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000357910327 266383957 /nfs/dbraw/zinc/38/39/57/266383957.db2.gz FJIGQHDUHFJGDL-ZIAGYGMSSA-N 0 1 299.418 3.593 20 0 CHADMN C[C@@H]1CCCCCN1Cc1nc(-c2cccs2)no1 ZINC000358405362 266460840 /nfs/dbraw/zinc/46/08/40/266460840.db2.gz YXPYSDHGPTUYGU-LLVKDONJSA-N 0 1 277.393 3.563 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN1CCCCC[C@H]1C ZINC000358416862 266461150 /nfs/dbraw/zinc/46/11/50/266461150.db2.gz YBCNHNGQQJBIFW-OAHLLOKOSA-N 0 1 274.408 3.506 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1sccc1OC ZINC000358504864 266471306 /nfs/dbraw/zinc/47/13/06/266471306.db2.gz JDNFUJPIYFGRTN-NSHDSACASA-N 0 1 276.405 3.565 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@@H](C)c1ccccn1 ZINC000359363186 266570912 /nfs/dbraw/zinc/57/09/12/266570912.db2.gz LLCJKNRPNJOCNJ-NSHDSACASA-N 0 1 297.333 3.951 20 0 CHADMN COc1c(O)cccc1CNCc1ccc(C2CC2)cc1 ZINC000361645812 266863653 /nfs/dbraw/zinc/86/36/53/266863653.db2.gz FMIHFEIMTOELPF-UHFFFAOYSA-N 0 1 283.371 3.568 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccccc1)c1ccc(F)cc1F ZINC000361888665 266900739 /nfs/dbraw/zinc/90/07/39/266900739.db2.gz LCUFSSSWFJUMIQ-SJCJKPOMSA-N 0 1 291.341 3.739 20 0 CHADMN Cc1c2ccccc2oc1CN[C@@H](C)c1cccnc1 ZINC000115600626 267101218 /nfs/dbraw/zinc/10/12/18/267101218.db2.gz DJXSUMPGWZBFMN-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN CC(C)n1ncc2c1[C@H](N[C@@H](C)c1ccncc1)CCC2 ZINC000368135980 267147791 /nfs/dbraw/zinc/14/77/91/267147791.db2.gz SKXUTGRJPFTBCM-XJKSGUPXSA-N 0 1 284.407 3.587 20 0 CHADMN C[C@H](CSc1nc(C2CC2)n[nH]1)c1ccccc1 ZINC000116611473 267167085 /nfs/dbraw/zinc/16/70/85/267167085.db2.gz OLDZAKSLRWKUGB-SNVBAGLBSA-N 0 1 259.378 3.578 20 0 CHADMN C[C@H](CSc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000116611473 267167088 /nfs/dbraw/zinc/16/70/88/267167088.db2.gz OLDZAKSLRWKUGB-SNVBAGLBSA-N 0 1 259.378 3.578 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2ccnc(C)n2)cc1 ZINC000368449228 267172765 /nfs/dbraw/zinc/17/27/65/267172765.db2.gz JFNZEPKFWAMRIP-SFHVURJKSA-N 0 1 297.402 3.521 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2cc[nH]n2)c2ccccc2n1 ZINC000368491678 267177676 /nfs/dbraw/zinc/17/76/76/267177676.db2.gz WNLPGSMEHLKSIR-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN O=C(/C=C/C1CCCCC1)Nc1cccc(-c2nnc[nH]2)c1 ZINC000117669755 267218300 /nfs/dbraw/zinc/21/83/00/267218300.db2.gz MWAOAZXTSNGWIV-MDZDMXLPSA-N 0 1 296.374 3.547 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CCC3(CC3)CC2)s1 ZINC000370400451 267316182 /nfs/dbraw/zinc/31/61/82/267316182.db2.gz YWVXXDNUHVPUBO-UHFFFAOYSA-N 0 1 290.354 3.846 20 0 CHADMN CC(C)OCCN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000370514811 267326465 /nfs/dbraw/zinc/32/64/65/267326465.db2.gz PATJDOHWWJZUKU-HNNXBMFYSA-N 0 1 288.391 3.780 20 0 CHADMN C[C@H]1CN(Cc2cccc(-c3cccnc3)c2)CC(C)(C)O1 ZINC000119519416 267344197 /nfs/dbraw/zinc/34/41/97/267344197.db2.gz VGXDGCSBKCCZGI-HNNXBMFYSA-N 0 1 296.414 3.748 20 0 CHADMN c1csc(CN(Cc2ccsc2)C[C@H]2CCCO2)c1 ZINC000120554128 267475458 /nfs/dbraw/zinc/47/54/58/267475458.db2.gz DQFBBIRBDRWUIH-CQSZACIVSA-N 0 1 293.457 3.991 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@](C)(O)CC1 ZINC000375928017 267923731 /nfs/dbraw/zinc/92/37/31/267923731.db2.gz PIYUELWPVVFNDE-ABAIWWIYSA-N 0 1 285.790 3.777 20 0 CHADMN c1cc(-c2nc(CN3CCC4(CCC4)C3)cs2)co1 ZINC000123183141 268006048 /nfs/dbraw/zinc/00/60/48/268006048.db2.gz MYKRJQGDSBXRSV-UHFFFAOYSA-N 0 1 274.389 3.779 20 0 CHADMN Fc1cc(CN2CCC(c3c[nH]cn3)CC2)ccc1Cl ZINC000377234124 268058063 /nfs/dbraw/zinc/05/80/63/268058063.db2.gz WEIUDTXNYAQFRI-UHFFFAOYSA-N 0 1 293.773 3.582 20 0 CHADMN CC(C)(C)c1nc(CN[C@H]2CCC2(C)C)cs1 ZINC000379790439 335089325 /nfs/dbraw/zinc/08/93/25/335089325.db2.gz JXFZXAZUGJRQDB-NSHDSACASA-N 0 1 252.427 3.719 20 0 CHADMN CCSc1cccc(CN2CCS[C@H](C)C2)c1 ZINC000351998099 529250095 /nfs/dbraw/zinc/25/00/95/529250095.db2.gz XFBCYSOVOJWFNC-GFCCVEGCSA-N 0 1 267.463 3.736 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cccc2F)c1cn2ccccc2n1 ZINC000570862662 327628445 /nfs/dbraw/zinc/62/84/45/327628445.db2.gz JERIERAJKMEADW-BLLLJJGKSA-N 0 1 295.361 3.812 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccncc2OC)s1 ZINC000526083760 328609306 /nfs/dbraw/zinc/60/93/06/328609306.db2.gz WBKWSAUJBABIHJ-LLVKDONJSA-N 0 1 276.405 3.565 20 0 CHADMN CCn1cc(CN[C@H](C)c2cccc(OC(C)C)c2)cn1 ZINC000112096597 327776654 /nfs/dbraw/zinc/77/66/54/327776654.db2.gz HDCJXAHHNJCUHN-CQSZACIVSA-N 0 1 287.407 3.541 20 0 CHADMN COC[C@H](NCc1cc(C)cc(C)c1)c1ccc(F)cc1 ZINC000531206204 327889277 /nfs/dbraw/zinc/88/92/77/327889277.db2.gz BZBCIBRXXKNQAJ-SFHVURJKSA-N 0 1 287.378 3.920 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1sc(C)nc1C ZINC000313587486 327926788 /nfs/dbraw/zinc/92/67/88/327926788.db2.gz UKCZUAMUMBAOOZ-NSHDSACASA-N 0 1 290.432 3.928 20 0 CHADMN Cc1c(C)c(C)c(C[N@H+]2CCCC[C@H]2C(=O)[O-])c(C)c1C ZINC000563274031 328006014 /nfs/dbraw/zinc/00/60/14/328006014.db2.gz FGDJGCXWUXSEAT-KRWDZBQOSA-N 0 1 289.419 3.668 20 0 CHADMN CC[N@@H+](CCCCCC(=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000563279011 328007100 /nfs/dbraw/zinc/00/71/00/328007100.db2.gz ZTXDMDKQBIJSIP-CYBMUJFWSA-N 0 1 281.371 3.854 20 0 CHADMN CC(C)CO[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC000531587306 328016597 /nfs/dbraw/zinc/01/65/97/328016597.db2.gz FQDOMQOVQNOQBO-AWEZNQCLSA-N 0 1 267.800 3.587 20 0 CHADMN CCc1ccc(CNCCO[C@@H]2CCCC[C@@H]2C)o1 ZINC000531603340 328020435 /nfs/dbraw/zinc/02/04/35/328020435.db2.gz QCTKQNRZAPIDRX-XJKSGUPXSA-N 0 1 265.397 3.527 20 0 CHADMN CCc1ccc(CNCCO[C@H]2CCCC[C@H]2C)o1 ZINC000531603338 328020540 /nfs/dbraw/zinc/02/05/40/328020540.db2.gz QCTKQNRZAPIDRX-CJNGLKHVSA-N 0 1 265.397 3.527 20 0 CHADMN CC[C@H](CC(=O)Nc1ccc2nc(C)[nH]c2c1)C(C)C ZINC000531687069 328022152 /nfs/dbraw/zinc/02/21/52/328022152.db2.gz YTJTUBUFAABZNH-GFCCVEGCSA-N 0 1 273.380 3.882 20 0 CHADMN CCc1cc(CN[C@@H](CC)c2cccs2)on1 ZINC000531723177 328023353 /nfs/dbraw/zinc/02/33/53/328023353.db2.gz CAEFIZGFJBHXRH-LBPRGKRZSA-N 0 1 250.367 3.539 20 0 CHADMN CCCC[C@@H](CC)c1nc(C2(N)CCCCC2)no1 ZINC000041153437 328024554 /nfs/dbraw/zinc/02/45/54/328024554.db2.gz KXXXTMPKMXQGFQ-GFCCVEGCSA-N 0 1 265.401 3.872 20 0 CHADMN Cc1ccc2nc(-c3cnn(-c4ccccc4)c3)[nH]c2c1 ZINC000041066139 328025695 /nfs/dbraw/zinc/02/56/95/328025695.db2.gz YDLMVFNYCXVALK-UHFFFAOYSA-N 0 1 274.327 3.724 20 0 CHADMN C[C@H](N[C@H]1C[N@H+](C)C[C@@H]1C)c1cccc(Cl)c1Cl ZINC000531712628 328027536 /nfs/dbraw/zinc/02/75/36/328027536.db2.gz RWYJFOMGQXTKBG-KWBADKCTSA-N 0 1 287.234 3.594 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@H](C)c2ccsc2)cn1 ZINC000531717397 328028193 /nfs/dbraw/zinc/02/81/93/328028193.db2.gz SQXRALGHANBVQT-NEPJUHHUSA-N 0 1 263.410 3.937 20 0 CHADMN COC(=O)c1sccc1CN1CCC[C@H]1C(C)(C)C ZINC000531779859 328033399 /nfs/dbraw/zinc/03/33/99/328033399.db2.gz AOPCRWCPIIIZEM-LBPRGKRZSA-N 0 1 281.421 3.545 20 0 CHADMN CCc1cnc(CN(C)C2CCC(C)(C)CC2)o1 ZINC000531781873 328033477 /nfs/dbraw/zinc/03/34/77/328033477.db2.gz NZNLISOTAGMMEK-UHFFFAOYSA-N 0 1 250.386 3.638 20 0 CHADMN CC[C@@H]1CN(Cc2ncc(C)cn2)CC[C@H]1c1ccccc1 ZINC000534107454 328035680 /nfs/dbraw/zinc/03/56/80/328035680.db2.gz QWCQOZJKAHEOHC-SJLPKXTDSA-N 0 1 295.430 3.801 20 0 CHADMN CC[C@H]1CN(Cc2ncc(C)cn2)CC[C@H]1c1ccccc1 ZINC000534107453 328035751 /nfs/dbraw/zinc/03/57/51/328035751.db2.gz QWCQOZJKAHEOHC-FUHWJXTLSA-N 0 1 295.430 3.801 20 0 CHADMN CC[C@@H]1CN(Cc2ncc(C)cn2)CC[C@@H]1c1ccccc1 ZINC000534107452 328035810 /nfs/dbraw/zinc/03/58/10/328035810.db2.gz QWCQOZJKAHEOHC-AEFFLSMTSA-N 0 1 295.430 3.801 20 0 CHADMN Cc1ncc2c(n1)CC[N@H+](CCC1C[C@@H](C)C[C@H](C)C1)C2 ZINC000531801760 328036984 /nfs/dbraw/zinc/03/69/84/328036984.db2.gz AHMSNAVKMKMQJD-KBPBESRZSA-N 0 1 287.451 3.606 20 0 CHADMN C[C@H](NCc1ccc2[nH]cnc2c1)c1cccc(F)c1F ZINC000534299118 328044139 /nfs/dbraw/zinc/04/41/39/328044139.db2.gz KDILDBMFUPGIHZ-JTQLQIEISA-N 0 1 287.313 3.692 20 0 CHADMN C[C@H](NCc1ccc2nc[nH]c2c1)c1cccc(F)c1F ZINC000534299118 328044140 /nfs/dbraw/zinc/04/41/40/328044140.db2.gz KDILDBMFUPGIHZ-JTQLQIEISA-N 0 1 287.313 3.692 20 0 CHADMN C[C@@H](NC[C@@H](C)c1ccc(F)cc1F)c1cscn1 ZINC000534328864 328045892 /nfs/dbraw/zinc/04/58/92/328045892.db2.gz NICZPBMXGXDLTE-NXEZZACHSA-N 0 1 282.359 3.876 20 0 CHADMN OCCC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000534333487 328046445 /nfs/dbraw/zinc/04/64/45/328046445.db2.gz UEVXCDIAVJLXOG-UHFFFAOYSA-N 0 1 288.218 3.588 20 0 CHADMN CCc1ncc(CN[C@@H]2CC(C)(C)Cc3oc(C)cc32)cn1 ZINC000563351454 328057123 /nfs/dbraw/zinc/05/71/23/328057123.db2.gz ACVZPEKBKRGZAC-OAHLLOKOSA-N 0 1 299.418 3.744 20 0 CHADMN COc1nccc(CN[C@@H](CC(C)(C)C)c2ccccc2)n1 ZINC000395116062 328605331 /nfs/dbraw/zinc/60/53/31/328605331.db2.gz GOOIMOASALQUQJ-INIZCTEOSA-N 0 1 299.418 3.752 20 0 CHADMN Fc1ccc(CCN2Cc3ccccc3C2)cc1F ZINC000152063877 328055653 /nfs/dbraw/zinc/05/56/53/328055653.db2.gz CLWBORSYTZQIDR-UHFFFAOYSA-N 0 1 259.299 3.523 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](CC[C@H]1C[C@H](C)C[C@H](C)C1)C1CCC1 ZINC000563455221 328067478 /nfs/dbraw/zinc/06/74/78/328067478.db2.gz KWZNLTJKSRVMEC-BARDWOONSA-N 0 1 281.440 3.776 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000563453835 328067545 /nfs/dbraw/zinc/06/75/45/328067545.db2.gz NUYKEGDKWHDXAC-LRDDRELGSA-N 0 1 293.382 3.925 20 0 CHADMN Fc1ccccc1CN[C@@H]1CSCCc2ccccc21 ZINC000153947259 328069978 /nfs/dbraw/zinc/06/99/78/328069978.db2.gz HIIJMWPSKPOZKV-QGZVFWFLSA-N 0 1 287.403 3.946 20 0 CHADMN COc1ccc2ccccc2c1CN[C@H]1CCC[C@H]1F ZINC000563507236 328070798 /nfs/dbraw/zinc/07/07/98/328070798.db2.gz PDMONCVNCFVPSO-CVEARBPZSA-N 0 1 273.351 3.829 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccsc2)s1 ZINC000563542203 328072539 /nfs/dbraw/zinc/07/25/39/328072539.db2.gz FYBGUHQECRADCJ-GFCCVEGCSA-N 0 1 293.413 3.845 20 0 CHADMN Cc1ccc2oc(CNCc3cccc(O)c3)cc2c1 ZINC000152139431 328073392 /nfs/dbraw/zinc/07/33/92/328073392.db2.gz FIEFZDUGWBGASE-UHFFFAOYSA-N 0 1 267.328 3.737 20 0 CHADMN CCN(Cc1nnc(C2CC2)s1)[C@H]1CCCC[C@H]1C ZINC000450809258 328080393 /nfs/dbraw/zinc/08/03/93/328080393.db2.gz KBUGKTONWSAWSB-YPMHNXCESA-N 0 1 279.453 3.816 20 0 CHADMN Fc1ccc(CC2CN(Cc3ccccc3F)C2)cc1F ZINC000563674493 328083417 /nfs/dbraw/zinc/08/34/17/328083417.db2.gz WGAZWXFZPVIGBI-UHFFFAOYSA-N 0 1 291.316 3.778 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000571171901 328090635 /nfs/dbraw/zinc/09/06/35/328090635.db2.gz CNRUDIIWUNFRCY-IAGOWNOFSA-N 0 1 289.419 3.900 20 0 CHADMN CC(C)c1nsc(NC[C@@H]2CCCCC(F)(F)C2)n1 ZINC000571232434 328094161 /nfs/dbraw/zinc/09/41/61/328094161.db2.gz VUARGDKDUINEOV-SNVBAGLBSA-N 0 1 289.395 3.711 20 0 CHADMN CC(C)(C)C[C@@H]1CCN(Cc2csnn2)C1(C)C ZINC000412040535 328102032 /nfs/dbraw/zinc/10/20/32/328102032.db2.gz RNUSZELVFZWKIN-NSHDSACASA-N 0 1 267.442 3.575 20 0 CHADMN CC(C)(C)C[C@H]1CCN(Cc2csnn2)C1(C)C ZINC000412040533 328102295 /nfs/dbraw/zinc/10/22/95/328102295.db2.gz RNUSZELVFZWKIN-LLVKDONJSA-N 0 1 267.442 3.575 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1CC(C)(C)C[C@H]1C ZINC000412043932 328102706 /nfs/dbraw/zinc/10/27/06/328102706.db2.gz OGHDLANIUMILIA-GHMZBOCLSA-N 0 1 291.420 3.980 20 0 CHADMN CSc1ccc(F)cc1CN[C@@H](C)c1ccoc1 ZINC000571350105 328115435 /nfs/dbraw/zinc/11/54/35/328115435.db2.gz HXYYBVTVDAARRV-JTQLQIEISA-N 0 1 265.353 3.991 20 0 CHADMN CCN(C/C=C/c1ccc(F)c(F)c1)Cc1ccccn1 ZINC000572849168 328124892 /nfs/dbraw/zinc/12/48/92/328124892.db2.gz JGTXDPYVDRIZME-AATRIKPKSA-N 0 1 288.341 3.895 20 0 CHADMN Cc1cnc([C@@H](C)NC/C=C\c2ccccc2)s1 ZINC000336704184 328130510 /nfs/dbraw/zinc/13/05/10/328130510.db2.gz NWYHVZFXSXHZAL-OYVUYXNMSA-N 0 1 258.390 3.816 20 0 CHADMN CCn1cc([C@@H](C)N[C@@H](C)c2ccc(C)cc2OC)cn1 ZINC000571614351 328137774 /nfs/dbraw/zinc/13/77/74/328137774.db2.gz OGDRBPMYJLWNGZ-KGLIPLIRSA-N 0 1 287.407 3.632 20 0 CHADMN Cc1ccc(F)c(CN(C)Cc2cccc3c[nH]nc32)c1 ZINC000571626271 328142905 /nfs/dbraw/zinc/14/29/05/328142905.db2.gz CJBOUFUMGXTYND-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1ccc(Cl)cn1 ZINC000414351364 328155919 /nfs/dbraw/zinc/15/59/19/328155919.db2.gz RNOOCRVDDXBURC-UFGOTCBOSA-N 0 1 262.740 3.535 20 0 CHADMN CCc1ncc(CN(C)[C@H](C)c2cc(C)ccc2C)cn1 ZINC000414368198 328156109 /nfs/dbraw/zinc/15/61/09/328156109.db2.gz GTVOYGCCVHWYFX-OAHLLOKOSA-N 0 1 283.419 3.849 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2ccc(SC)cc2)cn1 ZINC000414442731 328170775 /nfs/dbraw/zinc/17/07/75/328170775.db2.gz HLPFJMQUSLRZDF-LBPRGKRZSA-N 0 1 287.432 3.612 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cccc2F)c1cncs1 ZINC000269015052 328188654 /nfs/dbraw/zinc/18/86/54/328188654.db2.gz OIKXMJRUJJZRAC-TVQRCGJNSA-N 0 1 262.353 3.620 20 0 CHADMN Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC000571648729 328194493 /nfs/dbraw/zinc/19/44/93/328194493.db2.gz DJQQMTRLVVEATE-HNNXBMFYSA-N 0 1 297.398 3.756 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])oc1CC ZINC000571648813 328194870 /nfs/dbraw/zinc/19/48/70/328194870.db2.gz ISRDVGFBAHZAHL-JSGCOSHPSA-N 0 1 293.407 3.941 20 0 CHADMN CC(C)(C)C[C@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000414639653 328206188 /nfs/dbraw/zinc/20/61/88/328206188.db2.gz QAGBGRAUFHVBPF-OAHLLOKOSA-N 0 1 275.392 3.785 20 0 CHADMN CC1(C)C[C@@H](C(=O)Nc2cccc(Cl)c2O)C(C)(C)O1 ZINC000528909186 328234966 /nfs/dbraw/zinc/23/49/66/328234966.db2.gz XBKFIXNJLZSSLV-VIFPVBQESA-N 0 1 297.782 3.578 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(F)c(F)c2)cc1O ZINC000290011430 328257501 /nfs/dbraw/zinc/25/75/01/328257501.db2.gz ZOBQGPWESXZGGM-JTQLQIEISA-N 0 1 293.313 3.530 20 0 CHADMN C[C@H](N[C@H]1CCC[C@H]1F)c1ccc2ccccc2n1 ZINC000340533826 328289818 /nfs/dbraw/zinc/28/98/18/328289818.db2.gz YEMGGEUKWRHKSI-GHJWDPDVSA-N 0 1 258.340 3.776 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@H]1F)c1ccc2ccccc2n1 ZINC000340533827 328289872 /nfs/dbraw/zinc/28/98/72/328289872.db2.gz YEMGGEUKWRHKSI-NORZTCDRSA-N 0 1 258.340 3.776 20 0 CHADMN CC[C@H](CN[C@H]1C[C@H](C)n2ccnc21)Oc1ccccc1C ZINC000297050364 328293341 /nfs/dbraw/zinc/29/33/41/328293341.db2.gz VNUQLNZRANFSOR-XHSDSOJGSA-N 0 1 299.418 3.645 20 0 CHADMN CCc1ccc([C@H](C)NCc2cnc(C)cc2C)o1 ZINC000453382846 328299216 /nfs/dbraw/zinc/29/92/16/328299216.db2.gz YLQFBUBGIUHAHO-ZDUSSCGKSA-N 0 1 258.365 3.705 20 0 CHADMN C[C@H](NCCC1CCCCC1)c1nc(C(C)(C)C)no1 ZINC000506277623 332767976 /nfs/dbraw/zinc/76/79/76/332767976.db2.gz REJJIPXICKHINP-LBPRGKRZSA-N 0 1 279.428 3.988 20 0 CHADMN CC[C@H]1C[C@H](C)CN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000534690801 328356396 /nfs/dbraw/zinc/35/63/96/328356396.db2.gz KKECSHHJWJKTMZ-JSGCOSHPSA-N 0 1 289.423 3.718 20 0 CHADMN C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)c1cccc(CO)c1 ZINC000534798252 328362211 /nfs/dbraw/zinc/36/22/11/328362211.db2.gz IOOUCPUPBSKLPX-IIYDPXPESA-N 0 1 285.387 3.746 20 0 CHADMN COc1cc(C)ccc1[C@H](C)N[C@H](CCO)c1ccccc1 ZINC000531976604 328368765 /nfs/dbraw/zinc/36/87/65/328368765.db2.gz WFCIFBSFRPCHDU-MAUKXSAKSA-N 0 1 299.414 3.778 20 0 CHADMN C[C@H](NCCOC1CCCCC1)c1ccc(F)cc1F ZINC000111635449 328370157 /nfs/dbraw/zinc/37/01/57/328370157.db2.gz UTVGDKSIBPKQMN-LBPRGKRZSA-N 0 1 283.362 3.965 20 0 CHADMN Cc1n[nH]cc1CN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000535063191 328382133 /nfs/dbraw/zinc/38/21/33/328382133.db2.gz SKIYTDFKZDLVLZ-UHFFFAOYSA-N 0 1 271.408 3.648 20 0 CHADMN CCN(CCN[C@H](C)c1cscn1)c1ccccc1C ZINC000535063802 328382226 /nfs/dbraw/zinc/38/22/26/328382226.db2.gz DYCHTOAKCGQTIQ-CQSZACIVSA-N 0 1 289.448 3.629 20 0 CHADMN Cc1ccccc1OCCCN[C@H](C)c1cscn1 ZINC000535065331 328382621 /nfs/dbraw/zinc/38/26/21/328382621.db2.gz KVPKWMWCDVWFSK-CYBMUJFWSA-N 0 1 276.405 3.571 20 0 CHADMN CC(C)[N@H+](Cc1csc(-c2ccccn2)n1)CC1CC1 ZINC000535073436 328384465 /nfs/dbraw/zinc/38/44/65/328384465.db2.gz UCVAMTVZQBHQKY-UHFFFAOYSA-N 0 1 287.432 3.826 20 0 CHADMN Brc1cc(CN2C[C@H]3CCC[C@@H]3C2)cs1 ZINC000532058169 328441220 /nfs/dbraw/zinc/44/12/20/328441220.db2.gz HPZNZOSYQTWBFA-GHMZBOCLSA-N 0 1 286.238 3.743 20 0 CHADMN CCOc1ncccc1CN[C@H](C)c1ccc(Cl)cc1 ZINC000112522226 328441924 /nfs/dbraw/zinc/44/19/24/328441924.db2.gz BMVYBYHRQOMLAC-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN CCOc1ncccc1CN[C@H](C)c1cccc(Cl)c1 ZINC000112522231 328442062 /nfs/dbraw/zinc/44/20/62/328442062.db2.gz RWIPJJRQPVNTOC-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN C[C@H](N[C@@H](C)c1ccncn1)c1ccc(C2CC2)cc1 ZINC000417361905 328454381 /nfs/dbraw/zinc/45/43/81/328454381.db2.gz ZLOLVERYYGGUKE-STQMWFEESA-N 0 1 267.376 3.766 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@H]2CCCC2(C)C)n1 ZINC000191290271 328504273 /nfs/dbraw/zinc/50/42/73/328504273.db2.gz MSILXRIMXRWVKL-MNOVXSKESA-N 0 1 283.441 3.552 20 0 CHADMN C[C@H]1CCC[C@H](C)C1NCc1nc(Cc2ccccc2)no1 ZINC000182950910 328514581 /nfs/dbraw/zinc/51/45/81/328514581.db2.gz XNSYPPMZBXXWLT-KBPBESRZSA-N 0 1 299.418 3.575 20 0 CHADMN Cc1cscc1CNCc1cccc(F)c1F ZINC000094877776 326789361 /nfs/dbraw/zinc/78/93/61/326789361.db2.gz LJPKJJTXLRMCAC-UHFFFAOYSA-N 0 1 253.317 3.625 20 0 CHADMN c1ncc(CNCc2ccc(OC3CCCC3)cc2)s1 ZINC000556431356 326941328 /nfs/dbraw/zinc/94/13/28/326941328.db2.gz UXDHOFIGQMFTTG-UHFFFAOYSA-N 0 1 288.416 3.754 20 0 CHADMN C[C@@H](NCc1cnc(C2CC2)s1)c1ccc2n[nH]cc2c1 ZINC000556845116 326971877 /nfs/dbraw/zinc/97/18/77/326971877.db2.gz YLXONFZNODZAEL-SNVBAGLBSA-N 0 1 298.415 3.748 20 0 CHADMN Cc1ccnc([C@@H](C)NCc2ccc(C)c(F)c2)c1 ZINC000556858053 326973407 /nfs/dbraw/zinc/97/34/07/326973407.db2.gz LHAMSPZZNCFYID-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000568240153 326975903 /nfs/dbraw/zinc/97/59/03/326975903.db2.gz ZWBWIFFERKKJFW-JQWIXIFHSA-N 0 1 275.783 3.850 20 0 CHADMN Cn1ccnc1[C@@H](N[C@H]1CC(C)(C)c2ccccc21)C1CC1 ZINC000556911879 326982182 /nfs/dbraw/zinc/98/21/82/326982182.db2.gz JUGNXZUQUIBXCH-IRXDYDNUSA-N 0 1 295.430 3.883 20 0 CHADMN CCc1ccc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)o1 ZINC000557548464 327012769 /nfs/dbraw/zinc/01/27/69/327012769.db2.gz HNSOMOGQNXIDCA-LJQANCHMSA-N 0 1 297.398 3.812 20 0 CHADMN CC[C@@H]1CCC[C@H](C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1 ZINC000263306012 327013535 /nfs/dbraw/zinc/01/35/35/327013535.db2.gz FEEXTJWXKGNHNY-XAJHFOFHSA-N 0 1 293.451 3.921 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](CO)c2ccccc2C)cs1 ZINC000576109204 327017401 /nfs/dbraw/zinc/01/74/01/327017401.db2.gz CAPLIFLTNDDKQB-CZUORRHYSA-N 0 1 275.417 3.749 20 0 CHADMN CCc1nc(C)c(CNCc2cccc3ccoc32)o1 ZINC000568956234 327025796 /nfs/dbraw/zinc/02/57/96/327025796.db2.gz AILFAGMSPMQKHE-UHFFFAOYSA-N 0 1 270.332 3.581 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cc(C)ccc3F)[nH]c2c1 ZINC000557808590 327028283 /nfs/dbraw/zinc/02/82/83/327028283.db2.gz VWXSCWKRUCIAGR-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN COc1ccc(CNCc2ccc(C)c(F)c2)c(F)c1 ZINC000557830464 327030113 /nfs/dbraw/zinc/03/01/13/327030113.db2.gz FBLUGIRSSSOVKM-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN COc1ccc(F)cc1CN(C)[C@H]1CCc2ccccc21 ZINC000557923548 327035234 /nfs/dbraw/zinc/03/52/34/327035234.db2.gz QCSHQBOSINNYNK-KRWDZBQOSA-N 0 1 285.362 3.954 20 0 CHADMN CC(C)n1cc([C@H](C)NCc2scnc2C2CC2)cn1 ZINC000584148624 327049650 /nfs/dbraw/zinc/04/96/50/327049650.db2.gz HMWZLCAIUAUZNH-NSHDSACASA-N 0 1 290.436 3.649 20 0 CHADMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000262037549 327075984 /nfs/dbraw/zinc/07/59/84/327075984.db2.gz ZVNSAAUPOMXRBK-IBGZPJMESA-N 0 1 295.382 3.650 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(Cl)cn1 ZINC000558410616 327092286 /nfs/dbraw/zinc/09/22/86/327092286.db2.gz ZZTSMCXHLBZPEV-LALPHHSUSA-N 0 1 264.800 3.888 20 0 CHADMN CCN(C(=O)c1cc(-c2ccccc2)[nH]n1)[C@H](C)C(C)C ZINC000558424892 327093438 /nfs/dbraw/zinc/09/34/38/327093438.db2.gz IKVYYLWMRINFFJ-CYBMUJFWSA-N 0 1 285.391 3.583 20 0 CHADMN COc1cc([C@H](C)N[C@H](c2ncccc2C)C(C)C)ccn1 ZINC000573106129 327094892 /nfs/dbraw/zinc/09/48/92/327094892.db2.gz HVAJMRMDKQTGJG-YOEHRIQHSA-N 0 1 299.418 3.842 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000558470200 327096773 /nfs/dbraw/zinc/09/67/73/327096773.db2.gz ORUOLPZQNWUYCA-DAXOMENPSA-N 0 1 277.383 3.776 20 0 CHADMN CCc1nn(C)cc1CNCc1cc(Cl)cc(Cl)c1 ZINC000093113365 327104392 /nfs/dbraw/zinc/10/43/92/327104392.db2.gz BFLKKJYWCXRUJJ-UHFFFAOYSA-N 0 1 298.217 3.579 20 0 CHADMN CC(C)c1ccc(CNCc2cc(O)cc(F)c2)cc1 ZINC000223123529 327104743 /nfs/dbraw/zinc/10/47/43/327104743.db2.gz DHERMRAMOIECMP-UHFFFAOYSA-N 0 1 273.351 3.945 20 0 CHADMN CCOc1cccc(Cl)c1CN(C)C[C@H]1CCCOC1 ZINC000584239722 327109966 /nfs/dbraw/zinc/10/99/66/327109966.db2.gz KIVNANJQOZQXLV-CYBMUJFWSA-N 0 1 297.826 3.597 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000530992741 327121274 /nfs/dbraw/zinc/12/12/74/327121274.db2.gz ZWSAKVLRAYAQCH-NSHDSACASA-N 0 1 276.767 3.837 20 0 CHADMN C[C@H]1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000530992741 327121275 /nfs/dbraw/zinc/12/12/75/327121275.db2.gz ZWSAKVLRAYAQCH-NSHDSACASA-N 0 1 276.767 3.837 20 0 CHADMN C[C@H](C[N@@H+](CCC1CCCC1)Cc1ccccc1)C(=O)[O-] ZINC000573379773 327139421 /nfs/dbraw/zinc/13/94/21/327139421.db2.gz QEFBECGSIKMLBN-OAHLLOKOSA-N 0 1 289.419 3.790 20 0 CHADMN Cc1cc(Cl)ccc1CN(C)Cc1cccc(O)c1 ZINC000517796806 327139551 /nfs/dbraw/zinc/13/95/51/327139551.db2.gz RYDZEJUDXIVBAI-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN C[C@H]1CC[C@H](C)[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000564463197 327148067 /nfs/dbraw/zinc/14/80/67/327148067.db2.gz QSJHZXZHNHSOIO-QWRGUYRKSA-N 0 1 281.783 3.659 20 0 CHADMN C[C@H](N[C@H]1CCC(C)(C)c2ccccc21)c1cnccn1 ZINC000089516961 327170976 /nfs/dbraw/zinc/17/09/76/327170976.db2.gz XGMOSNHITDACJX-BBRMVZONSA-N 0 1 281.403 3.940 20 0 CHADMN CC(C)n1cc(C[N@H+]2CCC[C@H]2CC2CCCCC2)nn1 ZINC000569410187 327173911 /nfs/dbraw/zinc/17/39/11/327173911.db2.gz LBAQCKRTKMRQFO-KRWDZBQOSA-N 0 1 290.455 3.794 20 0 CHADMN CC(C)n1cc(CN2CCC[C@H]2CC2CCCCC2)nn1 ZINC000569410187 327173912 /nfs/dbraw/zinc/17/39/12/327173912.db2.gz LBAQCKRTKMRQFO-KRWDZBQOSA-N 0 1 290.455 3.794 20 0 CHADMN CCC[N@H+](Cc1ccc(C(=O)[O-])o1)CC1CCCCC1 ZINC000569462714 327182033 /nfs/dbraw/zinc/18/20/33/327182033.db2.gz HARNMSDCTRFZFA-UHFFFAOYSA-N 0 1 279.380 3.770 20 0 CHADMN CN(Cc1ccnn1C)Cc1ccccc1-c1ccccc1 ZINC000092035790 327184928 /nfs/dbraw/zinc/18/49/28/327184928.db2.gz FNYCTWSTLSLNPT-UHFFFAOYSA-N 0 1 291.398 3.719 20 0 CHADMN CC(C)n1nccc1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000410408487 327192047 /nfs/dbraw/zinc/19/20/47/327192047.db2.gz RAUXOZJIQNRZDK-UHFFFAOYSA-N 0 1 293.480 3.716 20 0 CHADMN CC(C)n1nccc1CN1CCSC2(CCCCC2)C1 ZINC000410408487 327192048 /nfs/dbraw/zinc/19/20/48/327192048.db2.gz RAUXOZJIQNRZDK-UHFFFAOYSA-N 0 1 293.480 3.716 20 0 CHADMN CCc1ccc([C@H](C)NCc2c(C)noc2C)s1 ZINC000092328994 327192275 /nfs/dbraw/zinc/19/22/75/327192275.db2.gz DPVCCOVANUZUCY-JTQLQIEISA-N 0 1 264.394 3.766 20 0 CHADMN Cc1nc2c(s1)[C@H](N(C)Cc1cccc(O)c1)CCC2 ZINC000093365140 327197480 /nfs/dbraw/zinc/19/74/80/327197480.db2.gz VQQBHSUZGPENFV-OAHLLOKOSA-N 0 1 288.416 3.667 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@H]1CCCc3occc31)CCO2 ZINC000278908324 327207172 /nfs/dbraw/zinc/20/71/72/327207172.db2.gz ZYSQABGVXIXPOL-HOTGVXAUSA-N 0 1 299.370 3.779 20 0 CHADMN C[C@@H]1[C@@H](C)CN1CCCc1ccccc1Br ZINC000584304891 327233434 /nfs/dbraw/zinc/23/34/34/327233434.db2.gz OYAZIXLYHIJNJM-NWDGAFQWSA-N 0 1 282.225 3.722 20 0 CHADMN c1cc(-c2ccccc2)oc1CNc1ccc2nn[nH]c2c1 ZINC000533848158 327223276 /nfs/dbraw/zinc/22/32/76/327223276.db2.gz FFQDZRKTCGIKRO-UHFFFAOYSA-N 0 1 290.326 3.830 20 0 CHADMN c1cc(-c2ccccc2)oc1CNc1ccc2n[nH]nc2c1 ZINC000533848158 327223277 /nfs/dbraw/zinc/22/32/77/327223277.db2.gz FFQDZRKTCGIKRO-UHFFFAOYSA-N 0 1 290.326 3.830 20 0 CHADMN C[C@@H](NCc1cnc(C2CCCCC2)s1)c1cn[nH]c1 ZINC000533854690 327223957 /nfs/dbraw/zinc/22/39/57/327223957.db2.gz VSJPREWJPIFEON-LLVKDONJSA-N 0 1 290.436 3.765 20 0 CHADMN CC[N@@H+](Cc1cccs1)[C@@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000584296650 327227934 /nfs/dbraw/zinc/22/79/34/327227934.db2.gz AZGMJZWZMXMDMP-JTQLQIEISA-N 0 1 293.388 3.931 20 0 CHADMN Fc1ccccc1-n1ccc(CN2CC[C@@H](CC3CC3)C2)n1 ZINC000559420591 327244703 /nfs/dbraw/zinc/24/47/03/327244703.db2.gz UFHDVBKUTCMYSJ-HNNXBMFYSA-N 0 1 299.393 3.633 20 0 CHADMN CC(C)C[C@H]1COCCN1Cc1ccc2occc2c1 ZINC000573842561 327263167 /nfs/dbraw/zinc/26/31/67/327263167.db2.gz AETUPTQRDWEVHP-INIZCTEOSA-N 0 1 273.376 3.680 20 0 CHADMN CC(C)Oc1cccc([C@H](C)N[C@H](C)c2cnn(C)c2)c1 ZINC000044497048 327267657 /nfs/dbraw/zinc/26/76/57/327267657.db2.gz XZASUYBBULIVHG-UONOGXRCSA-N 0 1 287.407 3.619 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)N[C@@H]1CCC[C@@H]1F ZINC000559916784 327270823 /nfs/dbraw/zinc/27/08/23/327270823.db2.gz MTAHTOUTTWBMSF-KWCYVHTRSA-N 0 1 251.345 3.545 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccc(F)cc21)c1cn2ccccc2n1 ZINC000559918812 327271067 /nfs/dbraw/zinc/27/10/67/327271067.db2.gz ITDLQGMPMHVRFA-BLLLJJGKSA-N 0 1 295.361 3.812 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1cn2ccccc2n1 ZINC000559920989 327271880 /nfs/dbraw/zinc/27/18/80/327271880.db2.gz DTPNDSDSDNDDAC-MLGOLLRUSA-N 0 1 295.361 3.812 20 0 CHADMN O=C([O-])[C@@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000262119380 327275585 /nfs/dbraw/zinc/27/55/85/327275585.db2.gz KNQQPFOHZLTGRY-CYBMUJFWSA-N 0 1 293.366 3.553 20 0 CHADMN CCC1(C)CCN(CC(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000507179689 332793536 /nfs/dbraw/zinc/79/35/36/332793536.db2.gz HMJKJTQQBKIRNX-UHFFFAOYSA-N 0 1 292.398 3.585 20 0 CHADMN CCC1(C)CCN(CC(=O)Nc2cc(C)ccc2C)CC1 ZINC000507177717 332793750 /nfs/dbraw/zinc/79/37/50/332793750.db2.gz CXQLCUQSVSJKGR-UHFFFAOYSA-N 0 1 288.435 3.754 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000262134067 327317495 /nfs/dbraw/zinc/31/74/95/327317495.db2.gz LVMRLDCMZURBNM-KSZLIROESA-N 0 1 299.414 3.782 20 0 CHADMN CC(C)(C)c1ccc(CN2CCC[C@@H]2CF)s1 ZINC000560612086 327330399 /nfs/dbraw/zinc/33/03/99/327330399.db2.gz XSUOTOACGVQRNG-LLVKDONJSA-N 0 1 255.402 3.980 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2CCCCC2)s1 ZINC000583386310 327337135 /nfs/dbraw/zinc/33/71/35/327337135.db2.gz QOQPVTKAEPBHDV-CQSZACIVSA-N 0 1 293.432 3.991 20 0 CHADMN CC1(C)CCC(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])CC1 ZINC000261802694 327345571 /nfs/dbraw/zinc/34/55/71/327345571.db2.gz YXUSACLOGJEGFQ-XHSDSOJGSA-N 0 1 293.451 3.921 20 0 CHADMN O=C1CCN(CC/C=C/c2ccccc2)C2(CCC2)C1 ZINC000566428876 327361121 /nfs/dbraw/zinc/36/11/21/327361121.db2.gz MLEAYDGOMMVWGE-RUDMXATFSA-N 0 1 269.388 3.678 20 0 CHADMN CC(C)CCc1noc(CN[C@@H](C)C2CCCCC2)n1 ZINC000561227917 327377655 /nfs/dbraw/zinc/37/76/55/327377655.db2.gz JJCXUCKRQBKXDP-ZDUSSCGKSA-N 0 1 279.428 3.717 20 0 CHADMN CCC1CC(NCc2coc(-c3ccc(C)cc3)n2)C1 ZINC000561298068 327383854 /nfs/dbraw/zinc/38/38/54/327383854.db2.gz YHMLIKBEZSVAKT-UHFFFAOYSA-N 0 1 270.376 3.928 20 0 CHADMN C[C@H](N[C@@H](c1nccn1C)c1ccccc1)[C@@H]1CC1(C)C ZINC000561436539 327394750 /nfs/dbraw/zinc/39/47/50/327394750.db2.gz JOHKCNJNSJFAHM-CWRNSKLLSA-N 0 1 283.419 3.534 20 0 CHADMN Cc1ccc(OC(F)F)c(CN2[C@@H](C)C[C@@H]2C)c1 ZINC000562306318 327466714 /nfs/dbraw/zinc/46/67/14/327466714.db2.gz AIRZNLZXPCTQIH-QWRGUYRKSA-N 0 1 255.308 3.579 20 0 CHADMN c1cc(CN2CCc3ccccc3CC2)n(C2CCCC2)n1 ZINC000562649433 327502468 /nfs/dbraw/zinc/50/24/68/327502468.db2.gz RUUBZFKGKVAZFT-UHFFFAOYSA-N 0 1 295.430 3.599 20 0 CHADMN Cc1nc([C@H](C)NCCSC(C)(C)C)cs1 ZINC000271455591 327526432 /nfs/dbraw/zinc/52/64/32/327526432.db2.gz JARKEPIHJISRRB-VIFPVBQESA-N 0 1 258.456 3.634 20 0 CHADMN CC(C)[C@H](C)N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000368356864 327532719 /nfs/dbraw/zinc/53/27/19/327532719.db2.gz FWTDRHXFLLUXOJ-BLLLJJGKSA-N 0 1 291.826 3.797 20 0 CHADMN Cc1nc([C@H](C)NCCc2ccc(F)cc2F)cs1 ZINC000570191815 327575270 /nfs/dbraw/zinc/57/52/70/327575270.db2.gz XSBNHNBIDJDCEX-VIFPVBQESA-N 0 1 282.359 3.623 20 0 CHADMN COc1ccc(F)c(CN[C@H]2c3ccccc3C[C@H]2C)c1 ZINC000570701301 327612295 /nfs/dbraw/zinc/61/22/95/327612295.db2.gz JHIAGCUIWCMNTO-KZULUSFZSA-N 0 1 285.362 3.857 20 0 CHADMN COCCN[C@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000037186364 328632630 /nfs/dbraw/zinc/63/26/30/328632630.db2.gz MCPZURHFWPCJGB-SSDOTTSWSA-N 0 1 282.598 3.944 20 0 CHADMN CC(C)C1CCN(Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000536678046 328680931 /nfs/dbraw/zinc/68/09/31/328680931.db2.gz TXBGKPFYQFAZPB-OAHLLOKOSA-N 0 1 294.464 3.863 20 0 CHADMN CC(C)Oc1ccc([C@H](C)N[C@@H](C)c2ccnn2C)cc1 ZINC000192247726 328726452 /nfs/dbraw/zinc/72/64/52/328726452.db2.gz PUQAZRFXAVFPQW-KBPBESRZSA-N 0 1 287.407 3.619 20 0 CHADMN CC(C)Oc1ccc([C@@H](C)N[C@@H](C)c2ccnn2C)cc1 ZINC000192247719 328726644 /nfs/dbraw/zinc/72/66/44/328726644.db2.gz PUQAZRFXAVFPQW-KGLIPLIRSA-N 0 1 287.407 3.619 20 0 CHADMN CC(C)CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000042336626 328763691 /nfs/dbraw/zinc/76/36/91/328763691.db2.gz AIYMZOZLCVNRJL-STQMWFEESA-N 0 1 296.842 3.541 20 0 CHADMN C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000042355619 328766953 /nfs/dbraw/zinc/76/69/53/328766953.db2.gz AZYOARYRQVEIMI-JQWIXIFHSA-N 0 1 281.783 3.696 20 0 CHADMN C[C@@H](NCCOc1ccccc1)c1c(F)cccc1F ZINC000042895604 328771873 /nfs/dbraw/zinc/77/18/73/328771873.db2.gz VKGLPTPXHIJERO-GFCCVEGCSA-N 0 1 277.314 3.694 20 0 CHADMN CCc1ccc(CNC2(c3ccccc3)CCOCC2)o1 ZINC000532376349 328774028 /nfs/dbraw/zinc/77/40/28/328774028.db2.gz MRYUVZXFLQCFJR-UHFFFAOYSA-N 0 1 285.387 3.638 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1ncc(C(C)(C)C)o1 ZINC000104076946 328775803 /nfs/dbraw/zinc/77/58/03/328775803.db2.gz OQAAFFHUTYEVKW-VXGBXAGGSA-N 0 1 250.386 3.735 20 0 CHADMN CCc1cc(CN[C@H]2CC[C@H](C)c3ccccc32)on1 ZINC000532517040 328786146 /nfs/dbraw/zinc/78/61/46/328786146.db2.gz PZYMOSDEVKJNMS-SJCJKPOMSA-N 0 1 270.376 3.965 20 0 CHADMN C[C@@H](CNC(=O)c1ccc(O)c(Cl)c1)c1ccccc1 ZINC000043550671 328803322 /nfs/dbraw/zinc/80/33/22/328803322.db2.gz GPJKAAMIKDYVQH-NSHDSACASA-N 0 1 289.762 3.579 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc3c(c2)CCCC3)nn1 ZINC000396608687 328833392 /nfs/dbraw/zinc/83/33/92/328833392.db2.gz DBUIUGOGESPMHF-AWEZNQCLSA-N 0 1 281.403 3.515 20 0 CHADMN Cc1cc(CNc2cc(C)nc3ccc(F)cc32)on1 ZINC000122267387 328998169 /nfs/dbraw/zinc/99/81/69/328998169.db2.gz SKWVIULETIOGBX-UHFFFAOYSA-N 0 1 271.295 3.591 20 0 CHADMN Cc1cnn([C@@H]2CCN([C@H](C)c3ccccc3Cl)C2)c1 ZINC000377723278 329027053 /nfs/dbraw/zinc/02/70/53/329027053.db2.gz MZXUIDNLHYFQPI-ZIAGYGMSSA-N 0 1 289.810 3.853 20 0 CHADMN CCC(CC)N(CC(C)C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000378100361 329040080 /nfs/dbraw/zinc/04/00/80/329040080.db2.gz LQBIEOIRFAJZHW-CQSZACIVSA-N 0 1 291.439 3.503 20 0 CHADMN C=Cn1cc(CN(C)[C@@H](C)c2cc3ccccc3o2)cn1 ZINC000193667614 329060470 /nfs/dbraw/zinc/06/04/70/329060470.db2.gz KSJRGABRKHFWSL-ZDUSSCGKSA-N 0 1 281.359 3.923 20 0 CHADMN C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000194104012 329065366 /nfs/dbraw/zinc/06/53/66/329065366.db2.gz HZPYODJWTHRTCG-NSHDSACASA-N 0 1 289.762 3.879 20 0 CHADMN Cc1ccccc1CNCc1nc(-c2ccccc2)c[nH]1 ZINC000194223076 329068412 /nfs/dbraw/zinc/06/84/12/329068412.db2.gz LCDHRDRPAKXHJB-UHFFFAOYSA-N 0 1 277.371 3.675 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](CC)Cc1cccc(Cl)c1 ZINC000583698576 329069321 /nfs/dbraw/zinc/06/93/21/329069321.db2.gz HPRMRPSPMYOSAG-AWEZNQCLSA-N 0 1 283.799 3.805 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1nc(C(C)C)no1)C1CC1 ZINC000170931120 329072332 /nfs/dbraw/zinc/07/23/32/329072332.db2.gz LJSCGHFFMSKIGS-NWDGAFQWSA-N 0 1 265.401 3.592 20 0 CHADMN C=Cn1cc(CN[C@H](C)c2oc3ccccc3c2C)cn1 ZINC000194230926 329073024 /nfs/dbraw/zinc/07/30/24/329073024.db2.gz WWYFDDVKWADOLJ-CYBMUJFWSA-N 0 1 281.359 3.889 20 0 CHADMN CC(C)C1(NCc2c(F)cccc2Br)CC1 ZINC000393472363 329092732 /nfs/dbraw/zinc/09/27/32/329092732.db2.gz GUPURMWAINLOQE-UHFFFAOYSA-N 0 1 286.188 3.866 20 0 CHADMN Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC000582551501 329106177 /nfs/dbraw/zinc/10/61/77/329106177.db2.gz ITLWRQBVYAGTCQ-GFCCVEGCSA-N 0 1 289.400 3.948 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000582670947 329122806 /nfs/dbraw/zinc/12/28/06/329122806.db2.gz CKIHWLDEUJREFM-NUEKZKHPSA-N 0 1 275.392 3.508 20 0 CHADMN CC(C)c1nc(CN2CCC[C@H](C)[C@H]2C)cs1 ZINC000172865445 329139613 /nfs/dbraw/zinc/13/96/13/329139613.db2.gz IWHZYBBUVOFTQM-NWDGAFQWSA-N 0 1 252.427 3.887 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1Cc1csc(NC(C)=O)n1 ZINC000173711108 329151047 /nfs/dbraw/zinc/15/10/47/329151047.db2.gz FCHVLGBKDMQPCI-FZMZJTMJSA-N 0 1 295.452 3.502 20 0 CHADMN c1cn(Cc2ccccc2)c(CN2CCC3(CCCC3)C2)n1 ZINC000174261312 329155990 /nfs/dbraw/zinc/15/59/90/329155990.db2.gz RICZBYCOSMISBX-UHFFFAOYSA-N 0 1 295.430 3.698 20 0 CHADMN CO[C@H](C)c1nc(CN2C[C@@H](C)CCC[C@H]2C)cs1 ZINC000175262253 329167001 /nfs/dbraw/zinc/16/70/01/329167001.db2.gz QKWRFFNTEVFJLK-YNEHKIRRSA-N 0 1 282.453 3.861 20 0 CHADMN CN(Cc1nccn1C(F)F)C1CCC(C)(C)CC1 ZINC000176294289 329174554 /nfs/dbraw/zinc/17/45/54/329174554.db2.gz FOKKYNDQZAPFPM-UHFFFAOYSA-N 0 1 271.355 3.679 20 0 CHADMN CCN(Cc1ccc(OC(C)C)cc1)Cc1ccccn1 ZINC000177001853 329180487 /nfs/dbraw/zinc/18/04/87/329180487.db2.gz JJYFIQQPVKPHTP-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177569217 329187618 /nfs/dbraw/zinc/18/76/18/329187618.db2.gz UAVZGCFSVOSGCQ-BMFZPTHFSA-N 0 1 297.402 3.920 20 0 CHADMN CC[C@H](C)CN(CC)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000177850086 329193093 /nfs/dbraw/zinc/19/30/93/329193093.db2.gz QVMTUEBWLODFMG-UONOGXRCSA-N 0 1 297.443 3.671 20 0 CHADMN C[C@@H](NCc1cc2ccccc2o1)c1cncc(F)c1 ZINC000178487116 329197538 /nfs/dbraw/zinc/19/75/38/329197538.db2.gz XXNJGHHSKYPUJC-LLVKDONJSA-N 0 1 270.307 3.818 20 0 CHADMN Cc1ccc(C)c(SCc2n[nH]c(C3CC3)n2)c1 ZINC000179649344 329210878 /nfs/dbraw/zinc/21/08/78/329210878.db2.gz HJGBSEWXTXATRW-UHFFFAOYSA-N 0 1 259.378 3.591 20 0 CHADMN Clc1cccc(SCc2n[nH]c(C3CC3)n2)c1 ZINC000179652736 329210901 /nfs/dbraw/zinc/21/09/01/329210901.db2.gz ZCWNFZFABFLKJI-UHFFFAOYSA-N 0 1 265.769 3.628 20 0 CHADMN Cc1ccc(CN2CC=C(c3ccc(O)cc3)CC2)o1 ZINC000179803472 329212426 /nfs/dbraw/zinc/21/24/26/329212426.db2.gz SQJHYVQOUNGNTC-UHFFFAOYSA-N 0 1 269.344 3.583 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1cnn(C(C)(C)C)c1 ZINC000179911513 329213539 /nfs/dbraw/zinc/21/35/39/329213539.db2.gz DXOKGCUMUYNSIF-AWEZNQCLSA-N 0 1 283.419 3.585 20 0 CHADMN CCCn1cc(CN2CC[C@H](C)C[C@@H]2c2ccco2)cn1 ZINC000180077378 329215169 /nfs/dbraw/zinc/21/51/69/329215169.db2.gz GIPHHIIKUVLKRJ-GOEBONIOSA-N 0 1 287.407 3.859 20 0 CHADMN C[C@H]1CN(Cc2ccc(Oc3ccccc3)o2)CCCO1 ZINC000180428428 329216678 /nfs/dbraw/zinc/21/66/78/329216678.db2.gz AZMYNZKBYCBOHL-AWEZNQCLSA-N 0 1 287.359 3.683 20 0 CHADMN CCO[C@H](C)c1nc(CN(C(C)C)C(C)C)cs1 ZINC000180453963 329217185 /nfs/dbraw/zinc/21/71/85/329217185.db2.gz KFWFZFXZHRXRLM-GFCCVEGCSA-N 0 1 270.442 3.859 20 0 CHADMN CCO[C@@H](C)c1nc(CN(C(C)C)C(C)C)cs1 ZINC000180453946 329217357 /nfs/dbraw/zinc/21/73/57/329217357.db2.gz KFWFZFXZHRXRLM-LBPRGKRZSA-N 0 1 270.442 3.859 20 0 CHADMN CCc1oc2ccccc2c1CN(C)Cc1ccc[nH]1 ZINC000180173836 329218151 /nfs/dbraw/zinc/21/81/51/329218151.db2.gz MTVDGPZEKFNFTN-UHFFFAOYSA-N 0 1 268.360 3.955 20 0 CHADMN c1cncc(CN(Cc2ccc3c(c2)CCC3)C2CC2)c1 ZINC000180749959 329222630 /nfs/dbraw/zinc/22/26/30/329222630.db2.gz SAKJONNOTTWFII-UHFFFAOYSA-N 0 1 278.399 3.735 20 0 CHADMN COC1(CNCc2csc(-c3cccs3)n2)CCC1 ZINC000181073613 329225694 /nfs/dbraw/zinc/22/56/94/329225694.db2.gz HXIMGGWNHBTHIC-UHFFFAOYSA-N 0 1 294.445 3.530 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000181100588 329226141 /nfs/dbraw/zinc/22/61/41/329226141.db2.gz GYNMFGWZMSIHEU-SWLSCSKDSA-N 0 1 288.439 3.501 20 0 CHADMN C[C@@H](NCc1nc(-c2ccoc2)no1)[C@H](C)c1ccccc1 ZINC000181540681 329234103 /nfs/dbraw/zinc/23/41/03/329234103.db2.gz VYPRWTWHYCBWBA-QWHCGFSZSA-N 0 1 297.358 3.611 20 0 CHADMN CO[C@H](C)c1nc(CN2C[C@H](C)[C@H]3CCCC[C@@H]32)cs1 ZINC000182503957 329242648 /nfs/dbraw/zinc/24/26/48/329242648.db2.gz NPBRFJGFRPUABN-MXYBEHONSA-N 0 1 294.464 3.861 20 0 CHADMN Cn1ccnc1[C@@H](N[C@@H]1CCCc2cc(F)ccc21)C1CC1 ZINC000183364896 329247297 /nfs/dbraw/zinc/24/72/97/329247297.db2.gz ULCJNIFRYOGVHY-SJORKVTESA-N 0 1 299.393 3.678 20 0 CHADMN Cc1cc(C)cc([C@@H]2CCN(Cc3nc(C4CC4)no3)C2)c1 ZINC000183480720 329247754 /nfs/dbraw/zinc/24/77/54/329247754.db2.gz VVFDKHVCDFWNPR-OAHLLOKOSA-N 0 1 297.402 3.553 20 0 CHADMN CCCC[C@@H]1CCC[C@H]1NCc1nnc(C(C)C)o1 ZINC000184699508 329262019 /nfs/dbraw/zinc/26/20/19/329262019.db2.gz LZJUNLQQOMOLQG-CHWSQXEVSA-N 0 1 265.401 3.642 20 0 CHADMN Cc1cccnc1CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000185305162 329272751 /nfs/dbraw/zinc/27/27/51/329272751.db2.gz QASWOLGCHBDXSU-ZDUSSCGKSA-N 0 1 288.341 3.658 20 0 CHADMN CC(C)c1nc(CNCc2ccsc2)c2ccccn21 ZINC000582909107 329287057 /nfs/dbraw/zinc/28/70/57/329287057.db2.gz OYJRKEFPPDYXIA-UHFFFAOYSA-N 0 1 285.416 3.809 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)[C@H]1C ZINC000582970296 329296180 /nfs/dbraw/zinc/29/61/80/329296180.db2.gz MLJZPOYBIHMAER-QWRGUYRKSA-N 0 1 281.783 3.659 20 0 CHADMN Cc1nc([C@@H](C)N[C@H](C)c2oc3ccccc3c2C)n[nH]1 ZINC000392359782 329326933 /nfs/dbraw/zinc/32/69/33/329326933.db2.gz WTHAVIUJKJVNID-GHMZBOCLSA-N 0 1 284.363 3.580 20 0 CHADMN CN(CCCCCO)Cc1ccc(Cl)cc1Cl ZINC000227876176 329330095 /nfs/dbraw/zinc/33/00/95/329330095.db2.gz HJEOBPJLEMFCME-UHFFFAOYSA-N 0 1 276.207 3.588 20 0 CHADMN C[C@@]1(Cc2ccccc2)CCCN1Cc1nc(C2CC2)no1 ZINC000186044482 329336529 /nfs/dbraw/zinc/33/65/29/329336529.db2.gz ZITMTWXOIJYWDU-SFHVURJKSA-N 0 1 297.402 3.544 20 0 CHADMN C[C@H](c1ccccn1)N1Cc2ccccc2C2(CC2)C1 ZINC000186195542 329339277 /nfs/dbraw/zinc/33/92/77/329339277.db2.gz WCCLWMYXNSINEG-CQSZACIVSA-N 0 1 264.372 3.690 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H](C)c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000392448695 329340804 /nfs/dbraw/zinc/34/08/04/329340804.db2.gz GFSTUHBQJXADDN-JGVFFNPUSA-N 0 1 299.205 3.832 20 0 CHADMN Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc3ccccc32)[nH]1 ZINC000392459687 329341554 /nfs/dbraw/zinc/34/15/54/329341554.db2.gz MCXQALWFFBXECQ-NWDGAFQWSA-N 0 1 280.375 3.678 20 0 CHADMN CC[C@@H](CN(CC)Cc1nnc(C2CC2)[nH]1)c1ccccc1 ZINC000186625998 329346835 /nfs/dbraw/zinc/34/68/35/329346835.db2.gz AFHJNMKFWOLPEV-AWEZNQCLSA-N 0 1 298.434 3.698 20 0 CHADMN CCCOc1ccc(NC(=O)c2cn[nH]c2C2CC2)c(C)c1 ZINC000187309049 329355121 /nfs/dbraw/zinc/35/51/21/329355121.db2.gz DGWWTCLCINFLQF-UHFFFAOYSA-N 0 1 299.374 3.637 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(C)nc2C)c1 ZINC000187412885 329357523 /nfs/dbraw/zinc/35/75/23/329357523.db2.gz VJHMJGHZSBNHBV-CYBMUJFWSA-N 0 1 297.402 3.508 20 0 CHADMN CCc1nn(C)cc1CN[C@@H](C)c1csc(Cl)c1 ZINC000230410546 329367650 /nfs/dbraw/zinc/36/76/50/329367650.db2.gz SYEVPSOYEQRZNP-VIFPVBQESA-N 0 1 283.828 3.548 20 0 CHADMN CN(C)c1cccc([C@H]2CCCN2Cc2ccc(F)nc2)c1 ZINC000189373488 329380310 /nfs/dbraw/zinc/38/03/10/329380310.db2.gz HBLUCZIWGGHSTG-QGZVFWFLSA-N 0 1 299.393 3.624 20 0 CHADMN c1cc(CN[C@H]2CCc3ccc(-c4ccccc4)cc32)n[nH]1 ZINC000189578482 329383639 /nfs/dbraw/zinc/38/36/39/329383639.db2.gz KHWSUGWGMWYADK-IBGZPJMESA-N 0 1 289.382 3.854 20 0 CHADMN CC(C)CCc1noc(CNc2ccc3cnccc3c2)n1 ZINC000583245449 329394731 /nfs/dbraw/zinc/39/47/31/329394731.db2.gz WOXNFMIRCRMBJK-UHFFFAOYSA-N 0 1 296.374 3.819 20 0 CHADMN c1ccc(OC2CCCC2)c(NCc2n[nH]c(C3CC3)n2)c1 ZINC000190347665 329395237 /nfs/dbraw/zinc/39/52/37/329395237.db2.gz QQTGMCRGQCEAAW-UHFFFAOYSA-N 0 1 298.390 3.616 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)Nc1ccnc(C)c1Cl ZINC000509071092 332858096 /nfs/dbraw/zinc/85/80/96/332858096.db2.gz VGENIXKXKJPGPL-SECBINFHSA-N 0 1 294.757 3.786 20 0 CHADMN C[C@@H](NCc1cc(F)cc2cccnc21)c1cccnc1 ZINC000193108231 329437644 /nfs/dbraw/zinc/43/76/44/329437644.db2.gz KYOAUDKDBLNWSU-GFCCVEGCSA-N 0 1 281.334 3.620 20 0 CHADMN Clc1cccc([C@H]2CC[C@@H](NCc3ncccn3)C2)c1 ZINC000584481403 329500356 /nfs/dbraw/zinc/50/03/56/329500356.db2.gz NEPPSBLASOBOTC-DZGCQCFKSA-N 0 1 287.794 3.556 20 0 CHADMN C[C@H](NCCO[C@H]1CCCC[C@H]1C)c1ccco1 ZINC000053553405 329666229 /nfs/dbraw/zinc/66/62/29/329666229.db2.gz MUBRMJVUWIZKHE-RDBSUJKOSA-N 0 1 251.370 3.526 20 0 CHADMN COC[C@H](N[C@@H]1c2ccccc2C[C@H]1C)c1ccc(C)o1 ZINC000245604655 329713217 /nfs/dbraw/zinc/71/32/17/329713217.db2.gz HJJUOQHGNAGOBD-PUECVXPYSA-N 0 1 285.387 3.799 20 0 CHADMN CC[C@H](NCc1nc(C2CCCC2)no1)[C@H]1CC1(C)C ZINC000419315030 329716163 /nfs/dbraw/zinc/71/61/63/329716163.db2.gz JBXZEEZFCCCKLT-OLZOCXBDSA-N 0 1 277.412 3.642 20 0 CHADMN Cc1ccc(-c2noc(CN3[C@@H](C)CC[C@@H]3C)n2)c(F)c1 ZINC000445382432 329788157 /nfs/dbraw/zinc/78/81/57/329788157.db2.gz FIOYDEKWQAJVGB-RYUDHWBXSA-N 0 1 289.354 3.557 20 0 CHADMN Cc1ccc(O)c(CN[C@@H](CC(F)F)c2ccccc2)n1 ZINC000421377868 329817013 /nfs/dbraw/zinc/81/70/13/329817013.db2.gz ULVOQAUNQFPZCV-ZDUSSCGKSA-N 0 1 292.329 3.582 20 0 CHADMN CCc1nc(CNCCc2cccc(Cl)c2)cs1 ZINC000067184102 329850533 /nfs/dbraw/zinc/85/05/33/329850533.db2.gz CDRGZEIYOKHOTI-UHFFFAOYSA-N 0 1 280.824 3.691 20 0 CHADMN c1c[nH]c(CN[C@H](CCc2ccccc2)c2ccccc2)n1 ZINC000067695770 329851250 /nfs/dbraw/zinc/85/12/50/329851250.db2.gz RMWVACVTRUMOLI-GOSISDBHSA-N 0 1 291.398 3.873 20 0 CHADMN Cc1cc([C@H](C)N[C@H](c2ccccc2F)[C@H](C)O)cs1 ZINC000572126784 329946891 /nfs/dbraw/zinc/94/68/91/329946891.db2.gz LZDARVJKECRTOV-MKBNYLNASA-N 0 1 293.407 3.968 20 0 CHADMN CCC[C@H](C[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000263036900 330039882 /nfs/dbraw/zinc/03/98/82/330039882.db2.gz ICXDEDKIYMVARK-DJIMGWMZSA-N 0 1 289.419 3.613 20 0 CHADMN FC(F)C1(NCCc2ccc3c(c2)CCO3)CCCCC1 ZINC000510090000 332891558 /nfs/dbraw/zinc/89/15/58/332891558.db2.gz XDTIJNIWYKJOJP-UHFFFAOYSA-N 0 1 295.373 3.722 20 0 CHADMN Cc1ccccc1-c1cccc(C[N@H+](C)[C@H](C)C(=O)[O-])c1 ZINC000263387061 330053574 /nfs/dbraw/zinc/05/35/74/330053574.db2.gz DFUYIXMNWHGYBJ-CQSZACIVSA-N 0 1 283.371 3.567 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000263399932 330054025 /nfs/dbraw/zinc/05/40/25/330054025.db2.gz HRGPMUALZANTOV-DZGCQCFKSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263575866 330059667 /nfs/dbraw/zinc/05/96/67/330059667.db2.gz PQVHZNYQFZMDOB-KBXCAEBGSA-N 0 1 295.382 3.763 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)o1 ZINC000162534141 330065775 /nfs/dbraw/zinc/06/57/75/330065775.db2.gz PYBMYLQSFBSSLR-INIZCTEOSA-N 0 1 299.370 3.696 20 0 CHADMN C[C@@H](NCCCC(=O)OC(C)(C)C)c1ccncc1Cl ZINC000421828763 330084034 /nfs/dbraw/zinc/08/40/34/330084034.db2.gz FDXCOFXCYKAWEA-LLVKDONJSA-N 0 1 298.814 3.508 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccncc2Cl)s1 ZINC000421820068 330086567 /nfs/dbraw/zinc/08/65/67/330086567.db2.gz KMYSNWZTMQXKAA-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN C[C@H](NCCO[C@@H]1CCCC[C@H]1C)c1ccncc1Cl ZINC000421821889 330086939 /nfs/dbraw/zinc/08/69/39/330086939.db2.gz UREGBJCVGQGBGT-DVOMOZLQSA-N 0 1 296.842 3.981 20 0 CHADMN COc1cc(C)cc(CN[C@H](C)c2ccncc2Cl)c1 ZINC000421834763 330091728 /nfs/dbraw/zinc/09/17/28/330091728.db2.gz LHMAFERPTOOWJZ-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CCn1cc([C@H](C)N[C@H](CC(F)F)c2ccccc2)cn1 ZINC000421887897 330096477 /nfs/dbraw/zinc/09/64/77/330096477.db2.gz WEMJMGULGHXQOV-SWLSCSKDSA-N 0 1 293.361 3.950 20 0 CHADMN C[C@H](NCCOCC1CCCC1)c1ccncc1Cl ZINC000421865709 330099093 /nfs/dbraw/zinc/09/90/93/330099093.db2.gz ZWGUJURSNFLIKM-LBPRGKRZSA-N 0 1 282.815 3.592 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1ccncc1Cl ZINC000421865694 330099101 /nfs/dbraw/zinc/09/91/01/330099101.db2.gz ZTUFOXCUNZJYSC-IRUJWGPZSA-N 0 1 262.740 3.535 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421914182 330107154 /nfs/dbraw/zinc/10/71/54/330107154.db2.gz STKRNCAUUFBFPV-YIZRAAEISA-N 0 1 283.730 3.559 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CC[C@H](C3CCCC3)C2)[nH]1 ZINC000421957464 330110356 /nfs/dbraw/zinc/11/03/56/330110356.db2.gz ZKPPRVVUCNMBJG-AWEZNQCLSA-N 0 1 297.402 3.524 20 0 CHADMN CCc1ccccc1CN[C@H](CC)c1nccs1 ZINC000080260010 330115467 /nfs/dbraw/zinc/11/54/67/330115467.db2.gz BLDRCEFERCPOEI-CQSZACIVSA-N 0 1 260.406 3.946 20 0 CHADMN CC[C@@H](C)[N@H+](CC(=O)[O-])CC1CCC(C(C)C)CC1 ZINC000336810071 330127239 /nfs/dbraw/zinc/12/72/39/330127239.db2.gz HBAUXRBSDCARIV-WLYUNCDWSA-N 0 1 269.429 3.634 20 0 CHADMN CC(C)Oc1ccc(CN(C)Cc2ccco2)cc1 ZINC000171029439 330127536 /nfs/dbraw/zinc/12/75/36/330127536.db2.gz AUHXFERVSZBIFS-UHFFFAOYSA-N 0 1 259.349 3.699 20 0 CHADMN Brc1ccc(CNCC2=CCCCC2)o1 ZINC000379573144 330135059 /nfs/dbraw/zinc/13/50/59/330135059.db2.gz UNQNVANHZBFKND-UHFFFAOYSA-N 0 1 270.170 3.632 20 0 CHADMN CC1(C)CCC[C@@H]1NCc1nc(CCc2ccccc2)no1 ZINC000191300008 330137215 /nfs/dbraw/zinc/13/72/15/330137215.db2.gz NXRMMRPRBGUKQG-HNNXBMFYSA-N 0 1 299.418 3.523 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000422637933 330150617 /nfs/dbraw/zinc/15/06/17/330150617.db2.gz SAJRDEINOCDKPZ-QLFBSQMISA-N 0 1 269.429 3.636 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc3c(c2)CCCN3)o1 ZINC000423446728 330202430 /nfs/dbraw/zinc/20/24/30/330202430.db2.gz CTHZBMNZBIACJP-ZDUSSCGKSA-N 0 1 270.376 3.797 20 0 CHADMN Cc1cc(N)cc(CN[C@H](C)c2ccccc2F)c1 ZINC000423479711 330206285 /nfs/dbraw/zinc/20/62/85/330206285.db2.gz MNNPTFNULZJDOQ-GFCCVEGCSA-N 0 1 258.340 3.567 20 0 CHADMN COC[C@H](C)CN1CCc2c(Cl)cc(Cl)cc2C1 ZINC000527116636 330223231 /nfs/dbraw/zinc/22/32/31/330223231.db2.gz OGKLBDGHTYGMAF-SNVBAGLBSA-N 0 1 288.218 3.634 20 0 CHADMN CCc1ccc([C@@H](NCc2ccnc(C)n2)C(C)C)cc1 ZINC000054790155 330230224 /nfs/dbraw/zinc/23/02/24/330230224.db2.gz SXHPBINKVUOKMJ-SFHVURJKSA-N 0 1 283.419 3.834 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1cnc(C)cc1C ZINC000397018183 330236121 /nfs/dbraw/zinc/23/61/21/330236121.db2.gz GZIHHKMBSBNAEP-HNNXBMFYSA-N 0 1 284.403 3.948 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2F)N(CC2(F)CC2)C1 ZINC000527219733 330237462 /nfs/dbraw/zinc/23/74/62/330237462.db2.gz AILQUXVQGOWXQI-FZMZJTMJSA-N 0 1 251.320 3.711 20 0 CHADMN CCc1nc(CN2CC[C@@H](c3ccc(F)cc3)C2)cs1 ZINC000527243036 330240092 /nfs/dbraw/zinc/24/00/92/330240092.db2.gz HXWZUNUWCNHLMG-CYBMUJFWSA-N 0 1 290.407 3.834 20 0 CHADMN CCc1nc(CN2CC[C@H](c3ccc(F)cc3)C2)cs1 ZINC000527243037 330240112 /nfs/dbraw/zinc/24/01/12/330240112.db2.gz HXWZUNUWCNHLMG-ZDUSSCGKSA-N 0 1 290.407 3.834 20 0 CHADMN CCCOc1c(CN2[C@H](C)C[C@H]2C)cccc1OCC ZINC000527238835 330240545 /nfs/dbraw/zinc/24/05/45/330240545.db2.gz VKSGQINIOUMEMY-ZIAGYGMSSA-N 0 1 277.408 3.857 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)C3(C)CCC3)cc2[nH]1 ZINC000527249629 330241395 /nfs/dbraw/zinc/24/13/95/330241395.db2.gz GKVZOGICAQDTHE-UHFFFAOYSA-N 0 1 285.391 3.989 20 0 CHADMN CC(C)n1nccc1CN1CC[C@@H](C)[C@@H]2CCCC[C@@H]21 ZINC000527510268 330255240 /nfs/dbraw/zinc/25/52/40/330255240.db2.gz MGRBCFUZPROFAC-PVAVHDDUSA-N 0 1 275.440 3.865 20 0 CHADMN CC(C)n1nccc1CN1CC[C@@H](C)[C@H]2CCCC[C@H]21 ZINC000527510265 330255417 /nfs/dbraw/zinc/25/54/17/330255417.db2.gz MGRBCFUZPROFAC-DJIMGWMZSA-N 0 1 275.440 3.865 20 0 CHADMN C[C@]1(c2ccccc2)CCN(Cc2ncccc2Cl)C1 ZINC000528399653 330256206 /nfs/dbraw/zinc/25/62/06/330256206.db2.gz IZKJGHGLAOJCMN-KRWDZBQOSA-N 0 1 286.806 3.899 20 0 CHADMN C[C@@H](N[C@@H](CO)c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000536866944 330258472 /nfs/dbraw/zinc/25/84/72/330258472.db2.gz BWFZTKOBPACSKK-BZNIZROVSA-N 0 1 293.769 3.863 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](CO)c2cccc(F)c2)cc1C ZINC000536867327 330258796 /nfs/dbraw/zinc/25/87/96/330258796.db2.gz CPYKXTLJDSPMKJ-RDTXWAMCSA-N 0 1 287.378 3.827 20 0 CHADMN Cc1cc(CN2CCC[C@@H](C(F)(F)F)[C@H]2C)ccn1 ZINC000527537969 330260423 /nfs/dbraw/zinc/26/04/23/330260423.db2.gz HWTVMMVIJMEZJG-DGCLKSJQSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1cc(CN2CCC[C@H](C(F)(F)F)[C@@H]2C)ccn1 ZINC000527537968 330260432 /nfs/dbraw/zinc/26/04/32/330260432.db2.gz HWTVMMVIJMEZJG-AAEUAGOBSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1cc(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)ccn1 ZINC000527537424 330260676 /nfs/dbraw/zinc/26/06/76/330260676.db2.gz BZCLDPGQYTWBBM-CYBMUJFWSA-N 0 1 286.341 3.800 20 0 CHADMN Cc1cc(CN2CCC[C@@H](CC(F)(F)F)C2)ccn1 ZINC000527540304 330260938 /nfs/dbraw/zinc/26/09/38/330260938.db2.gz QKYMAUXEDONEEX-ZDUSSCGKSA-N 0 1 272.314 3.554 20 0 CHADMN Cc1cc(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)ccn1 ZINC000527540918 330261363 /nfs/dbraw/zinc/26/13/63/330261363.db2.gz YMOUIQWPJJIARJ-DGCLKSJQSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1cc(CN(C)CCOc2ccccc2Cl)ccn1 ZINC000527534366 330262998 /nfs/dbraw/zinc/26/29/98/330262998.db2.gz NNIFSOBMAIJEMB-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN COC[C@H](N[C@@H](C)c1cccs1)c1ccc(F)cc1 ZINC000536869747 330264879 /nfs/dbraw/zinc/26/48/79/330264879.db2.gz MHVDGYRWUKFORS-FZMZJTMJSA-N 0 1 279.380 3.926 20 0 CHADMN Fc1ccc(F)c(CN[C@@H]2[C@@H]3CCC[C@@H]32)c1Cl ZINC000527727269 330277756 /nfs/dbraw/zinc/27/77/56/330277756.db2.gz NNAKXYQSTOCOIW-NVLNSXGDSA-N 0 1 257.711 3.506 20 0 CHADMN COc1ccc(C(C)(C)NCc2cnc(C)s2)cc1F ZINC000527781805 330283021 /nfs/dbraw/zinc/28/30/21/330283021.db2.gz QKNAIQCKPRTLQF-UHFFFAOYSA-N 0 1 294.395 3.624 20 0 CHADMN COc1ccc(C(C)(C)NCc2ccoc2C)cc1F ZINC000527782472 330283238 /nfs/dbraw/zinc/28/32/38/330283238.db2.gz WPQSTLMXPUGSQO-UHFFFAOYSA-N 0 1 277.339 3.761 20 0 CHADMN Clc1cnc(CNCC[C@H]2CC=CCC2)s1 ZINC000527791348 330283641 /nfs/dbraw/zinc/28/36/41/330283641.db2.gz URLDNYLGLXDBEZ-JTQLQIEISA-N 0 1 256.802 3.633 20 0 CHADMN Clc1cnc(CNCC[C@@H]2CC=CCC2)s1 ZINC000527791349 330283696 /nfs/dbraw/zinc/28/36/96/330283696.db2.gz URLDNYLGLXDBEZ-SNVBAGLBSA-N 0 1 256.802 3.633 20 0 CHADMN Cc1cc(CN[C@@H](c2cccc(C)c2)C(C)C)nn1C ZINC000527805847 330284385 /nfs/dbraw/zinc/28/43/85/330284385.db2.gz BEZDTZLORMTQFW-QGZVFWFLSA-N 0 1 271.408 3.524 20 0 CHADMN C[C@H](N[C@@H](C)[C@H]1CC12CC2)c1noc(-c2ccccc2)n1 ZINC000527865012 330285614 /nfs/dbraw/zinc/28/56/14/330285614.db2.gz FVLICBNKVQTNSC-SGMGOOAPSA-N 0 1 283.375 3.576 20 0 CHADMN CC[C@H](NCc1cc(C)n(C)n1)c1cc(C)ccc1C ZINC000527821359 330286245 /nfs/dbraw/zinc/28/62/45/330286245.db2.gz NKMKPSIUSHPJPL-KRWDZBQOSA-N 0 1 271.408 3.586 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527853767 330288631 /nfs/dbraw/zinc/28/86/31/330288631.db2.gz QWJYUQVNDHSJJG-OAHLLOKOSA-N 0 1 294.757 3.861 20 0 CHADMN Cc1cc(CN[C@@H](c2cccc(C)c2)C(C)C)on1 ZINC000527858207 330289176 /nfs/dbraw/zinc/28/91/76/330289176.db2.gz IFOIRNFFVQFNDN-MRXNPFEDSA-N 0 1 258.365 3.778 20 0 CHADMN CCn1ccc(CN[C@@H](c2cccc(C)c2)C(C)C)n1 ZINC000527907091 330290387 /nfs/dbraw/zinc/29/03/87/330290387.db2.gz FMIXJCUGKRGMTF-QGZVFWFLSA-N 0 1 271.408 3.698 20 0 CHADMN CC(C)=CCN[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527891604 330292441 /nfs/dbraw/zinc/29/24/41/330292441.db2.gz GTMYLRPZVIAOJR-CQSZACIVSA-N 0 1 269.392 3.704 20 0 CHADMN C[C@H](N[C@H]1CCC[C@H](c2ccccc2)CC1)c1ncn(C)n1 ZINC000527895945 330292769 /nfs/dbraw/zinc/29/27/69/330292769.db2.gz VLEGAVRXSSTPFC-XIRDDKMYSA-N 0 1 298.434 3.582 20 0 CHADMN Cc1cccc([C@H](NCc2ncccc2N(C)C)C(C)C)c1 ZINC000527901839 330293439 /nfs/dbraw/zinc/29/34/39/330293439.db2.gz PXCYOCLNGQVBFK-LJQANCHMSA-N 0 1 297.446 3.943 20 0 CHADMN COc1ccncc1CN[C@@H](c1cccc(C)c1)C(C)C ZINC000527902269 330293607 /nfs/dbraw/zinc/29/36/07/330293607.db2.gz NITHNPKACKQVEB-GOSISDBHSA-N 0 1 284.403 3.886 20 0 CHADMN COc1cc([C@H](C)N[C@H](c2ccccn2)C2CCC2)ccn1 ZINC000527962028 330300809 /nfs/dbraw/zinc/30/08/09/330300809.db2.gz DJEHGJMJXSYLCV-UGSOOPFHSA-N 0 1 297.402 3.677 20 0 CHADMN CO[C@H](c1ccccc1)[C@@H](C)N[C@@H](C)c1ncccc1F ZINC000528034657 330302366 /nfs/dbraw/zinc/30/23/66/330302366.db2.gz AMJOVJXAPUJPDU-AHIWAGSCSA-N 0 1 288.366 3.648 20 0 CHADMN CCCCO[C@H]1C[C@H](N[C@@H](C)c2ncccc2F)C1(C)C ZINC000528036457 330302822 /nfs/dbraw/zinc/30/28/22/330302822.db2.gz SRSUHMKWUUNSCB-QEJZJMRPSA-N 0 1 294.414 3.855 20 0 CHADMN Cc1cc(F)c(CNCCSCC(F)(F)F)c(F)c1 ZINC000424157664 330304961 /nfs/dbraw/zinc/30/49/61/330304961.db2.gz NOJFHGVHLSYSAY-UHFFFAOYSA-N 0 1 299.308 3.658 20 0 CHADMN COc1ccc(Cl)cc1[C@H](C)NCCC(F)(F)F ZINC000536878480 330312296 /nfs/dbraw/zinc/31/22/96/330312296.db2.gz POCUEJHMJYORAK-QMMMGPOBSA-N 0 1 281.705 3.952 20 0 CHADMN c1cc(-c2nc(CN[C@H]3CC34CC4)cs2)cs1 ZINC000424181264 330319177 /nfs/dbraw/zinc/31/91/77/330319177.db2.gz BPAYCDBLPGCNLN-NSHDSACASA-N 0 1 262.403 3.514 20 0 CHADMN Cc1cc(F)c(CNC[C@H]2COc3ccccc32)c(F)c1 ZINC000424181638 330319312 /nfs/dbraw/zinc/31/93/12/330319312.db2.gz RMFRJWUMDLDYGM-LBPRGKRZSA-N 0 1 289.325 3.539 20 0 CHADMN C/C(Cl)=C\CN1CCC([C@H](O)c2ccccc2)CC1 ZINC000528343262 330319726 /nfs/dbraw/zinc/31/97/26/330319726.db2.gz AOXLLRWAKXUTLK-ROCHPLJESA-N 0 1 279.811 3.575 20 0 CHADMN Clc1ccc(Br)c(CN[C@@H]2CC23CC3)c1 ZINC000424183588 330320188 /nfs/dbraw/zinc/32/01/88/330320188.db2.gz JVLTWOOUBYORGR-LLVKDONJSA-N 0 1 286.600 3.745 20 0 CHADMN Cc1ccc2sc(CN(C(C)C)C3CC3)nc2c1 ZINC000528347918 330321255 /nfs/dbraw/zinc/32/12/55/330321255.db2.gz ANXYCMFLNGBWQC-UHFFFAOYSA-N 0 1 260.406 3.978 20 0 CHADMN COc1ccc(OC2CCN(C/C=C(\C)Cl)CC2)cc1 ZINC000528354815 330321754 /nfs/dbraw/zinc/32/17/54/330321754.db2.gz HQXGODAEJICVIL-NTUHNPAUSA-N 0 1 295.810 3.681 20 0 CHADMN CCc1nc(CN(C)CC2CC(C)(C)C2)cs1 ZINC000528359580 330322175 /nfs/dbraw/zinc/32/21/75/330322175.db2.gz QINIDGJAFWNQDV-UHFFFAOYSA-N 0 1 252.427 3.574 20 0 CHADMN Cc1nc(CN2CCC(C(C)C)CC2)nc2ccccc12 ZINC000532972523 330323712 /nfs/dbraw/zinc/32/37/12/330323712.db2.gz QHEWPNCMJBWBCL-UHFFFAOYSA-N 0 1 283.419 3.806 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(C)cc2)C2CC2)on1 ZINC000044299605 330327446 /nfs/dbraw/zinc/32/74/46/330327446.db2.gz IDKBDMLSWZYPBC-MRXNPFEDSA-N 0 1 256.349 3.532 20 0 CHADMN COc1ccc([C@@H](C)NCCC(F)(F)F)c(Cl)c1 ZINC000424312837 330338941 /nfs/dbraw/zinc/33/89/41/330338941.db2.gz NCQIJPGIIVTWPR-MRVPVSSYSA-N 0 1 281.705 3.952 20 0 CHADMN COc1ncc(CN2[C@H](C)CCC[C@@H]2C)cc1Cl ZINC000533099950 330335275 /nfs/dbraw/zinc/33/52/75/330335275.db2.gz FQNOUAHWPXPICU-PHIMTYICSA-N 0 1 268.788 3.507 20 0 CHADMN COc1ccc([C@@H](C)NCc2cncc(C)c2)c(Cl)c1 ZINC000424294120 330335556 /nfs/dbraw/zinc/33/55/56/330335556.db2.gz WXTPDOMPLQKBJD-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CC(C)CCOCCN[C@H](C)c1cc(F)ccc1F ZINC000045093878 330338336 /nfs/dbraw/zinc/33/83/36/330338336.db2.gz KIHPYWAUBPUQFB-GFCCVEGCSA-N 0 1 271.351 3.678 20 0 CHADMN CC(C)CCOCCNCc1c(F)cccc1Cl ZINC000045093904 330338411 /nfs/dbraw/zinc/33/84/11/330338411.db2.gz XUZOLJWGHKBTDC-UHFFFAOYSA-N 0 1 273.779 3.631 20 0 CHADMN c1ccc([C@@H](N[C@@H]2C[C@H]2C2CCC2)c2ccccn2)cc1 ZINC000424322886 330340426 /nfs/dbraw/zinc/34/04/26/330340426.db2.gz IQWQMKYHLVSYJX-QXAKKESOSA-N 0 1 278.399 3.949 20 0 CHADMN COC(=O)c1cnc([C@@H](C)N[C@H](C)CC2CCCC2)s1 ZINC000424325510 330341119 /nfs/dbraw/zinc/34/11/19/330341119.db2.gz LGDBOGJNGQKQOO-GHMZBOCLSA-N 0 1 296.436 3.549 20 0 CHADMN C[C@@H](N[C@H]1CC12CC2)c1ccc(F)cc1Br ZINC000424334612 330343064 /nfs/dbraw/zinc/34/30/64/330343064.db2.gz YWJQLGVCLGXGDZ-PELKAZGASA-N 0 1 284.172 3.791 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H]2c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000424337988 330343716 /nfs/dbraw/zinc/34/37/16/330343716.db2.gz MHQKNIYDPQGQJR-KKUMJFAQSA-N 0 1 285.391 3.695 20 0 CHADMN CCCC(C)(C)Cc1nc(C2(N)CCCCC2)no1 ZINC000424339656 330343986 /nfs/dbraw/zinc/34/39/86/330343986.db2.gz DOIXBOMSICDFSD-UHFFFAOYSA-N 0 1 265.401 3.557 20 0 CHADMN CC(C)CC(C)(C)c1nc(C2(N)CCCCC2)no1 ZINC000424340705 330344026 /nfs/dbraw/zinc/34/40/26/330344026.db2.gz GXSZJCBBDYTRJA-UHFFFAOYSA-N 0 1 265.401 3.511 20 0 CHADMN CSc1cccc(-c2nc(C3(N)CCCCC3)no2)c1 ZINC000424348196 330345013 /nfs/dbraw/zinc/34/50/13/330345013.db2.gz NMMMJMQDXGLJBD-UHFFFAOYSA-N 0 1 289.404 3.577 20 0 CHADMN COc1ccc([C@H](C)N[C@H]2CCC[C@H]2F)c(Cl)c1 ZINC000424349902 330345201 /nfs/dbraw/zinc/34/52/01/330345201.db2.gz NRBMAQBPEUDSJO-FZZIBODNSA-N 0 1 271.763 3.890 20 0 CHADMN CCC[C@H](c1nc(C2(N)CCCCC2)no1)C(C)C ZINC000424349946 330345219 /nfs/dbraw/zinc/34/52/19/330345219.db2.gz WYVMJIISVDOWLX-LBPRGKRZSA-N 0 1 265.401 3.727 20 0 CHADMN CCC[C@@H](c1nc(C2(N)CCCCC2)no1)C(C)C ZINC000424349944 330345270 /nfs/dbraw/zinc/34/52/70/330345270.db2.gz WYVMJIISVDOWLX-GFCCVEGCSA-N 0 1 265.401 3.727 20 0 CHADMN COc1ccnc(CN(C)[C@H](C)c2ccc(Cl)cc2)c1 ZINC000106933399 330345797 /nfs/dbraw/zinc/34/57/97/330345797.db2.gz YCSOPPLSGHOUIM-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN Cc1ccc(C(C)(C)c2nc(C3(N)CCCCC3)no2)cc1 ZINC000424343088 330346086 /nfs/dbraw/zinc/34/60/86/330346086.db2.gz JGMRZWLXXHEEDL-UHFFFAOYSA-N 0 1 299.418 3.822 20 0 CHADMN CCCC1CCC(C[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])CC1 ZINC000424420437 330351092 /nfs/dbraw/zinc/35/10/92/330351092.db2.gz QNDVVKLHLYIDTM-SLTXQBBLSA-N 0 1 281.440 3.778 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)[C@H]1C(=O)[O-] ZINC000424425861 330351607 /nfs/dbraw/zinc/35/16/07/330351607.db2.gz ZYNDUVZOXTZFPG-CXAGYDPISA-N 0 1 299.370 3.632 20 0 CHADMN C[C@H]1CCC[N@@H+](CCCC2CCCCC2)[C@H]1C(=O)[O-] ZINC000424424131 330351629 /nfs/dbraw/zinc/35/16/29/330351629.db2.gz WAJIHEUIQKRRAK-DZGCQCFKSA-N 0 1 267.413 3.532 20 0 CHADMN CCOc1cccc(NCc2ccc3nc[nH]c3c2)c1 ZINC000533212151 330353055 /nfs/dbraw/zinc/35/30/55/330353055.db2.gz RITSYTIMGSELHX-UHFFFAOYSA-N 0 1 267.332 3.574 20 0 CHADMN CCC[N@@H+](CC)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000533247813 330355175 /nfs/dbraw/zinc/35/51/75/330355175.db2.gz JSAIWGBLWBAYDT-UHFFFAOYSA-N 0 1 289.206 3.664 20 0 CHADMN CCCN(CC)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000533247813 330355176 /nfs/dbraw/zinc/35/51/76/330355176.db2.gz JSAIWGBLWBAYDT-UHFFFAOYSA-N 0 1 289.206 3.664 20 0 CHADMN CC(C)[C@H](C)[N@@H+](C)Cc1cnc(-c2ccccc2)nc1 ZINC000533246703 330355202 /nfs/dbraw/zinc/35/52/02/330355202.db2.gz AJMXNNYLNSBWJI-AWEZNQCLSA-N 0 1 269.392 3.620 20 0 CHADMN C[C@H](N(C)Cc1nc(-c2ccsc2)no1)C(C)(C)C ZINC000533250115 330355363 /nfs/dbraw/zinc/35/53/63/330355363.db2.gz VJXJHUSDRCNWLG-JTQLQIEISA-N 0 1 279.409 3.665 20 0 CHADMN CN(Cc1nn(-c2ccccc2)c2c1CCC2)CC(C)(C)C ZINC000533279064 330356363 /nfs/dbraw/zinc/35/63/63/330356363.db2.gz YIPRRSGTXHAGOZ-UHFFFAOYSA-N 0 1 297.446 3.839 20 0 CHADMN Fc1ccc(CN[C@H]2CSc3ccccc32)cc1 ZINC000083748812 330359146 /nfs/dbraw/zinc/35/91/46/330359146.db2.gz MKKWHFSYWCOOFW-AWEZNQCLSA-N 0 1 259.349 3.762 20 0 CHADMN c1ccc2c(c1)-c1ccccc1C2NCc1cccnc1 ZINC000055421194 330365187 /nfs/dbraw/zinc/36/51/87/330365187.db2.gz ABORTHUZEFWMRY-UHFFFAOYSA-N 0 1 272.351 3.941 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000086728077 330370888 /nfs/dbraw/zinc/37/08/88/330370888.db2.gz NXJIPAKUIDOUTK-GXTWGEPZSA-N 0 1 281.783 3.588 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@@H](C)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000086807598 330371132 /nfs/dbraw/zinc/37/11/32/330371132.db2.gz LPUQWFXQTARWSO-IUCAKERBSA-N 0 1 290.190 3.707 20 0 CHADMN CCC[C@@H](C(=O)Nc1ccc(OC(C)(C)C)cc1)N(C)C ZINC000119416110 330374580 /nfs/dbraw/zinc/37/45/80/330374580.db2.gz XDZSQCUTCOHZKT-HNNXBMFYSA-N 0 1 292.423 3.533 20 0 CHADMN FC(F)(F)c1ccc(CNCc2ccoc2)cc1 ZINC000057998197 330381734 /nfs/dbraw/zinc/38/17/34/330381734.db2.gz UITADNGQKDUDID-UHFFFAOYSA-N 0 1 255.239 3.588 20 0 CHADMN C[C@@]1(NCc2cc(C(F)(F)F)ccc2Cl)CCOC1 ZINC000120199498 330386198 /nfs/dbraw/zinc/38/61/98/330386198.db2.gz BTUKPQYRGRXIIX-GFCCVEGCSA-N 0 1 293.716 3.627 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000120220492 330386363 /nfs/dbraw/zinc/38/63/63/330386363.db2.gz IQIWDLHQNFQUTF-OKILXGFUSA-N 0 1 274.408 3.621 20 0 CHADMN CCO[C@H](C)c1noc(CN(C)[C@@H]2CCCC[C@H]2CC)n1 ZINC000120905549 330394093 /nfs/dbraw/zinc/39/40/93/330394093.db2.gz USFYUXNPBSPQLU-MGPQQGTHSA-N 0 1 295.427 3.568 20 0 CHADMN CC[C@@]1(C)CC[N@H+]([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000537047997 330394446 /nfs/dbraw/zinc/39/44/46/330394446.db2.gz CXELITOGSWXGFQ-WBMJQRKESA-N 0 1 279.380 3.558 20 0 CHADMN CC[C@]1(C)CC[N@H+]([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000537047996 330394449 /nfs/dbraw/zinc/39/44/49/330394449.db2.gz CXELITOGSWXGFQ-MLGOLLRUSA-N 0 1 279.380 3.558 20 0 CHADMN CCC[C@@H](NCc1cc(F)cc(OC)c1)c1ccccn1 ZINC000090972181 330397370 /nfs/dbraw/zinc/39/73/70/330397370.db2.gz QRYQEAUEDNHMOI-MRXNPFEDSA-N 0 1 288.366 3.860 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1cc(F)ccc1F ZINC000091098444 330398927 /nfs/dbraw/zinc/39/89/27/330398927.db2.gz JSLMFGKCQSQSCT-LBPRGKRZSA-N 0 1 259.365 3.538 20 0 CHADMN CSCCN(C)Cc1cccc(Cl)c1Cl ZINC000215905186 330399624 /nfs/dbraw/zinc/39/96/24/330399624.db2.gz VYNLFJOVIBLJHZ-UHFFFAOYSA-N 0 1 264.221 3.788 20 0 CHADMN Cc1ccc(OC2CCN(Cc3cccnc3C)CC2)cc1 ZINC000091673623 330401921 /nfs/dbraw/zinc/40/19/21/330401921.db2.gz HTDADMHDYKLSJG-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN CCc1ccc(CN[C@@H](C)[C@@H](OC)c2ccccc2F)o1 ZINC000537384548 330435414 /nfs/dbraw/zinc/43/54/14/330435414.db2.gz SOOYVDBIMLLJHA-YVEFUNNKSA-N 0 1 291.366 3.847 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H](C)c1cnn(C(C)C)c1 ZINC000537881274 330459319 /nfs/dbraw/zinc/45/93/19/330459319.db2.gz JOHDVLWAWUJIKT-ZIAGYGMSSA-N 0 1 272.396 3.579 20 0 CHADMN CCCCN(CC)C(=O)c1cccc(C(F)(F)F)c1O ZINC000515179962 330472390 /nfs/dbraw/zinc/47/23/90/330472390.db2.gz TXNHJSOSSXELHP-UHFFFAOYSA-N 0 1 289.297 3.673 20 0 CHADMN Cc1cccnc1CNCc1ccc(C(F)(F)F)s1 ZINC000428850181 330531689 /nfs/dbraw/zinc/53/16/89/330531689.db2.gz LZCXYUSCLNJCJF-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CC1(C)CC[C@@H](NCc2noc(-c3ccccc3F)n2)C1 ZINC000435035350 330648345 /nfs/dbraw/zinc/64/83/45/330648345.db2.gz QCXLLASHTBMVLD-LLVKDONJSA-N 0 1 289.354 3.544 20 0 CHADMN CCc1occc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000435820236 330663679 /nfs/dbraw/zinc/66/36/79/330663679.db2.gz WCXFKCPSJMJYMP-UHFFFAOYSA-N 0 1 283.686 3.592 20 0 CHADMN C[C@@H](NCc1cc2c(cccc2F)[nH]1)c1cncc(F)c1 ZINC000436402952 330676704 /nfs/dbraw/zinc/67/67/04/330676704.db2.gz DDZAOPZLBLNQPP-SNVBAGLBSA-N 0 1 287.313 3.692 20 0 CHADMN C[C@@H]1CCC[C@@H]1NC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436482287 330678399 /nfs/dbraw/zinc/67/83/99/330678399.db2.gz HSANBUAECCASDD-XCBNKYQSSA-N 0 1 288.174 3.617 20 0 CHADMN C[C@@H](CC1CC1)NC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436543872 330679199 /nfs/dbraw/zinc/67/91/99/330679199.db2.gz ADMZPAHBHBIOCA-ZETCQYMHSA-N 0 1 288.174 3.617 20 0 CHADMN C[C@@H]1CCN(C(=O)c2cc(Cl)c3ccccc3c2O)C1 ZINC000436540029 330679738 /nfs/dbraw/zinc/67/97/38/330679738.db2.gz XPTBNKGWLXKOBJ-SNVBAGLBSA-N 0 1 289.762 3.681 20 0 CHADMN CC[C@H](NCc1cc(C(F)(F)F)n[nH]1)c1cccs1 ZINC000440825641 330756852 /nfs/dbraw/zinc/75/68/52/330756852.db2.gz XAEDXKLSQYXWFJ-VIFPVBQESA-N 0 1 289.326 3.731 20 0 CHADMN CCc1cccc(NC(=O)CN2CCC(C(C)C)CC2)c1 ZINC000441446688 330769060 /nfs/dbraw/zinc/76/90/60/330769060.db2.gz YJSNRIPGMCQJMG-UHFFFAOYSA-N 0 1 288.435 3.556 20 0 CHADMN CC1(C)CN(C/C=C\c2ccccc2)CC(C)(C)O1 ZINC000442885865 330790411 /nfs/dbraw/zinc/79/04/11/330790411.db2.gz MNHOGMCBHDPGBC-FLIBITNWSA-N 0 1 259.393 3.589 20 0 CHADMN C[C@H](CC[NH2+]Cc1c(F)ccc([O-])c1F)c1ccccc1 ZINC000510532542 332905981 /nfs/dbraw/zinc/90/59/81/332905981.db2.gz GLHHZFYPFFVPCO-GFCCVEGCSA-N 0 1 291.341 3.954 20 0 CHADMN C[C@@H](CC(F)(F)F)NCc1cnc(C(F)(F)F)s1 ZINC000443987222 330808625 /nfs/dbraw/zinc/80/86/25/330808625.db2.gz KLPYKOXQRQIQDH-YFKPBYRVSA-N 0 1 292.248 3.592 20 0 CHADMN CC[C@@H](C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21)N(C)C ZINC000444637544 330816111 /nfs/dbraw/zinc/81/61/11/330816111.db2.gz RJGXAADUOIPDND-CABCVRRESA-N 0 1 288.435 3.503 20 0 CHADMN Cc1cc(N2CCc3ncsc3C2)c2cc(F)ccc2n1 ZINC000445662322 330834241 /nfs/dbraw/zinc/83/42/41/330834241.db2.gz AUSWFRFMUMONSP-UHFFFAOYSA-N 0 1 299.374 3.702 20 0 CHADMN CCSCCCc1noc([C@H](C)N2[C@@H](C)CC[C@@H]2C)n1 ZINC000445748738 330835432 /nfs/dbraw/zinc/83/54/32/330835432.db2.gz LVFCZZPVISPIHE-AVGNSLFASA-N 0 1 297.468 3.689 20 0 CHADMN CCO[C@@H](CNCc1c(F)cccc1F)c1ccccc1 ZINC000446848187 330856541 /nfs/dbraw/zinc/85/65/41/330856541.db2.gz QNQHMUWQXGLJHN-KRWDZBQOSA-N 0 1 291.341 3.832 20 0 CHADMN CC1(C)CC[C@@H](N[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000446926529 330858089 /nfs/dbraw/zinc/85/80/89/330858089.db2.gz YTHVLRKIVORQAO-CABCVRRESA-N 0 1 269.392 3.667 20 0 CHADMN CCc1ccc(CN[C@H](C)c2cc(C(=O)OC)co2)s1 ZINC000447540974 330868952 /nfs/dbraw/zinc/86/89/52/330868952.db2.gz FFSDXYSNMBPKSC-SNVBAGLBSA-N 0 1 293.388 3.541 20 0 CHADMN C[C@H](NCc1cccc2cc[nH]c21)c1nc2c(s1)CCC2 ZINC000447567101 330870313 /nfs/dbraw/zinc/87/03/13/330870313.db2.gz ZDFXEZGGIOZDLL-NSHDSACASA-N 0 1 297.427 3.964 20 0 CHADMN CSc1cc(CN[C@@H]2CCCc3occc32)ccn1 ZINC000447589834 330872032 /nfs/dbraw/zinc/87/20/32/330872032.db2.gz ZEZYVPIAVGBFJQ-CYBMUJFWSA-N 0 1 274.389 3.564 20 0 CHADMN Cc1cc([C@@H](C)NC2(c3ccc4c(c3)OCO4)CC2)c(C)o1 ZINC000447607010 330873481 /nfs/dbraw/zinc/87/34/81/330873481.db2.gz OSCBBCPYQVBQAC-GFCCVEGCSA-N 0 1 299.370 3.965 20 0 CHADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@@H]2CCC[C@@H]2CCC(C)C)n1 ZINC000447877105 330879188 /nfs/dbraw/zinc/87/91/88/330879188.db2.gz CPJPTVCHPBKDLQ-RRFJBIMHSA-N 0 1 291.439 3.746 20 0 CHADMN CCC[C@H](NCc1ccncc1F)c1ccccc1 ZINC000449058392 330896055 /nfs/dbraw/zinc/89/60/55/330896055.db2.gz ITDWVTCWYCLAHW-INIZCTEOSA-N 0 1 258.340 3.852 20 0 CHADMN Cc1cnc(CNCCCOc2cccc(C)c2C)s1 ZINC000449284090 330911762 /nfs/dbraw/zinc/91/17/62/330911762.db2.gz ACEIZJGIMORXDB-UHFFFAOYSA-N 0 1 290.432 3.627 20 0 CHADMN Clc1cnc(CNC[C@H]2CSc3ccccc32)s1 ZINC000449367194 330919150 /nfs/dbraw/zinc/91/91/50/330919150.db2.gz UIAZSXMJBACWGB-VIFPVBQESA-N 0 1 296.848 3.776 20 0 CHADMN Cc1cc(F)ccc1-c1ccc(CN2CC3(CC3)C2)o1 ZINC000449371542 330919732 /nfs/dbraw/zinc/91/97/32/330919732.db2.gz WBUNGEVLESBSHZ-UHFFFAOYSA-N 0 1 271.335 3.990 20 0 CHADMN C[C@H](NCc1nn(C)cc1Cl)C1CCCCCC1 ZINC000449481149 330929318 /nfs/dbraw/zinc/92/93/18/330929318.db2.gz RCXJBUNWJJGYOX-NSHDSACASA-N 0 1 269.820 3.522 20 0 CHADMN CCc1cccc(Cl)c1CNCc1cnccc1C ZINC000449527095 330933894 /nfs/dbraw/zinc/93/38/94/330933894.db2.gz ZJYBBBKVLSIPEF-UHFFFAOYSA-N 0 1 274.795 3.896 20 0 CHADMN CCCc1ncc(CN[C@@H]2c3cc(C)ccc3C[C@@H]2C)o1 ZINC000449610512 330939617 /nfs/dbraw/zinc/93/96/17/330939617.db2.gz GZBMOWRDHCAFFG-UGSOOPFHSA-N 0 1 284.403 3.959 20 0 CHADMN CC1(C2(NCc3coc(-c4ccccc4)n3)CC2)CC1 ZINC000449664272 330942836 /nfs/dbraw/zinc/94/28/36/330942836.db2.gz BEJPVWHBXOYJGP-UHFFFAOYSA-N 0 1 268.360 3.764 20 0 CHADMN CCn1cc([C@H](C)NCc2cc3cc(F)ccc3o2)cn1 ZINC000449664229 330942901 /nfs/dbraw/zinc/94/29/01/330942901.db2.gz BRGVHVSDMVSSCE-NSHDSACASA-N 0 1 287.338 3.639 20 0 CHADMN CCCc1csc(CN[C@@H]2CCCC[C@H]2OCC)n1 ZINC000449759552 330948368 /nfs/dbraw/zinc/94/83/68/330948368.db2.gz KCDFIIVBUIXZKL-ZIAGYGMSSA-N 0 1 282.453 3.533 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@H]1CCCCC1(F)F ZINC000449854887 330952269 /nfs/dbraw/zinc/95/22/69/330952269.db2.gz HXNKRIDMOWDUOD-MRVPVSSYSA-N 0 1 289.709 3.810 20 0 CHADMN CCC(CC)[C@@H](NCc1cnns1)c1ccccc1 ZINC000450667448 330992138 /nfs/dbraw/zinc/99/21/38/330992138.db2.gz WIMCAORLHPQWRS-OAHLLOKOSA-N 0 1 275.421 3.805 20 0 CHADMN CCC(=O)CCCN1CCC(c2ncccc2Cl)CC1 ZINC000450859325 331003301 /nfs/dbraw/zinc/00/33/01/331003301.db2.gz UXBWSCIZXMHIOA-UHFFFAOYSA-N 0 1 294.826 3.674 20 0 CHADMN Cn1nccc1C1=CC[N@@H+](CC/C=C/c2ccccc2)CC1 ZINC000450969691 331009229 /nfs/dbraw/zinc/00/92/29/331009229.db2.gz CFMKFNMWDUFUFA-WEVVVXLNSA-N 0 1 293.414 3.613 20 0 CHADMN CCc1cc(CCCNC2(C(F)F)CCCCC2)on1 ZINC000450977411 331009720 /nfs/dbraw/zinc/00/97/20/331009720.db2.gz IIQXNKCYJYJCKB-UHFFFAOYSA-N 0 1 286.366 3.727 20 0 CHADMN CN(Cc1c(F)cccc1F)C[C@H]1CCC(F)(F)C1 ZINC000451070422 331014727 /nfs/dbraw/zinc/01/47/27/331014727.db2.gz IIWLFKGUPFRJAK-JTQLQIEISA-N 0 1 275.289 3.832 20 0 CHADMN CC[C@H](CC(C)C)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000451129078 331016771 /nfs/dbraw/zinc/01/67/71/331016771.db2.gz LXEFMXGWOMKSMR-GFCCVEGCSA-N 0 1 273.380 3.882 20 0 CHADMN Cc1cnc([C@H](C)N(C)CCc2ccccc2C)o1 ZINC000451165394 331018373 /nfs/dbraw/zinc/01/83/73/331018373.db2.gz KQMUAKXZWAJVSU-AWEZNQCLSA-N 0 1 258.365 3.527 20 0 CHADMN CC(C)c1noc(CN2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)n1 ZINC000451192452 331019743 /nfs/dbraw/zinc/01/97/43/331019743.db2.gz WCODJIVGNBYIBO-IJEWVQPXSA-N 0 1 299.418 3.960 20 0 CHADMN COC[C@]1(C)CC[N@@H+](Cc2c(C)cccc2Cl)C1 ZINC000451203005 331020531 /nfs/dbraw/zinc/02/05/31/331020531.db2.gz OTRRDDXTTLVNPK-OAHLLOKOSA-N 0 1 267.800 3.507 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC(CF)CC1 ZINC000451387759 331026835 /nfs/dbraw/zinc/02/68/35/331026835.db2.gz FXHMHZZHRIZWBK-SNVBAGLBSA-N 0 1 257.299 3.707 20 0 CHADMN CCO[C@@H]1CCN([C@H](C)c2ccc(F)c(F)c2)C[C@H]1C ZINC000451521852 331032361 /nfs/dbraw/zinc/03/23/61/331032361.db2.gz AHOIQBVOYMURSY-XHBSWPGZSA-N 0 1 283.362 3.773 20 0 CHADMN Fc1ccc([C@@H]2CCCN2C[C@@H]2CCCCO2)c(F)c1 ZINC000451963664 331048404 /nfs/dbraw/zinc/04/84/04/331048404.db2.gz HVGMZSNUDIIJEP-BBRMVZONSA-N 0 1 281.346 3.671 20 0 CHADMN Fc1ccc([C@H]2CCCN2C[C@@H]2CCCCO2)c(F)c1 ZINC000451963668 331048422 /nfs/dbraw/zinc/04/84/22/331048422.db2.gz HVGMZSNUDIIJEP-XJKSGUPXSA-N 0 1 281.346 3.671 20 0 CHADMN CC(C)OCCCN1CCC[C@@H]1c1ccc(F)cc1F ZINC000451964933 331048521 /nfs/dbraw/zinc/04/85/21/331048521.db2.gz CDJVESQVQMRGMH-MRXNPFEDSA-N 0 1 283.362 3.917 20 0 CHADMN C[C@H]1CCC[C@]1(C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000451983526 331049296 /nfs/dbraw/zinc/04/92/96/331049296.db2.gz UYGJAJDUCTYXAS-RTHLEPHNSA-N 0 1 285.746 3.950 20 0 CHADMN Cc1cccc([C@H](C)N[C@H](C)c2cnc(C)cn2)c1 ZINC000452074504 331053059 /nfs/dbraw/zinc/05/30/59/331053059.db2.gz AYPWXZUWQJUGPM-UONOGXRCSA-N 0 1 255.365 3.505 20 0 CHADMN CC[C@H](c1nc(-c2cccc3ccccc32)no1)N(C)C ZINC000453015750 331083625 /nfs/dbraw/zinc/08/36/25/331083625.db2.gz AGBHZTGYMBUEGO-OAHLLOKOSA-N 0 1 281.359 3.903 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H](C)c1cc(C)ccc1C ZINC000453052202 331084947 /nfs/dbraw/zinc/08/49/47/331084947.db2.gz BZRIMLFVLIDQJS-GJZGRUSLSA-N 0 1 271.408 3.932 20 0 CHADMN CCCCOc1ncccc1CN[C@@H](CC)c1ccncc1 ZINC000453072204 331086647 /nfs/dbraw/zinc/08/66/47/331086647.db2.gz PHSZRKLCXWEZQD-KRWDZBQOSA-N 0 1 299.418 3.896 20 0 CHADMN Cn1ccnc1[C@H](NCC1CCC1)c1ccc(Cl)cc1 ZINC000453075857 331086837 /nfs/dbraw/zinc/08/68/37/331086837.db2.gz LNRYWPZQARKSJO-OAHLLOKOSA-N 0 1 289.810 3.553 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H]2CCCCc3ccccc32)c2nccn21 ZINC000453083729 331087523 /nfs/dbraw/zinc/08/75/23/331087523.db2.gz FERRZEIFAGILBR-XOKHGSTOSA-N 0 1 281.403 3.946 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccncn2)cc1C ZINC000453085383 331087706 /nfs/dbraw/zinc/08/77/06/331087706.db2.gz KAYVBFVOBQZKTA-KBPBESRZSA-N 0 1 255.365 3.505 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H](C)c1ccc(C)s1 ZINC000453103121 331089374 /nfs/dbraw/zinc/08/93/74/331089374.db2.gz WKRBHJMNEBFQCJ-VXGBXAGGSA-N 0 1 263.410 3.685 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@@H](C)c2ccncn2)c1 ZINC000453103591 331089446 /nfs/dbraw/zinc/08/94/46/331089446.db2.gz BJHMPJSOWCMJSL-KBPBESRZSA-N 0 1 255.365 3.505 20 0 CHADMN CC[C@H](N[C@@H](CO)c1cccc(F)c1)c1ccsc1 ZINC000453144313 331093889 /nfs/dbraw/zinc/09/38/89/331093889.db2.gz MDDJBUUYWMHAGE-GJZGRUSLSA-N 0 1 279.380 3.662 20 0 CHADMN CC(C)COc1ccc([C@@H](C)N[C@H](C)c2ccncn2)cc1 ZINC000453151257 331094481 /nfs/dbraw/zinc/09/44/81/331094481.db2.gz XWMATWZIZIAEMO-HUUCEWRRSA-N 0 1 299.418 3.923 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H]1CCc2ccc(C)cc21 ZINC000453161012 331095722 /nfs/dbraw/zinc/09/57/22/331095722.db2.gz PUUSRVNJPXGXJP-BBRMVZONSA-N 0 1 269.392 3.550 20 0 CHADMN CC[C@H](NCc1ccc(OC(C)(C)C)nc1)c1ccncc1 ZINC000453199039 331100478 /nfs/dbraw/zinc/10/04/78/331100478.db2.gz RCYFAYGLWUOVKH-INIZCTEOSA-N 0 1 299.418 3.895 20 0 CHADMN CC[C@H](NCc1ccc2c(n1)CCCC2)c1ccncc1 ZINC000453201873 331100840 /nfs/dbraw/zinc/10/08/40/331100840.db2.gz CSKPOBCDHJUQON-KRWDZBQOSA-N 0 1 281.403 3.596 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnn3ccccc23)cs1 ZINC000453205272 331101226 /nfs/dbraw/zinc/10/12/26/331101226.db2.gz DVFRFGOLTZQENP-GFCCVEGCSA-N 0 1 271.389 3.555 20 0 CHADMN C[C@@H](N[C@@H]1CCn2ccnc21)c1ccc(F)c2ccccc21 ZINC000453231149 331104512 /nfs/dbraw/zinc/10/45/12/331104512.db2.gz QBRNUFRCZPUFMX-SJKOYZFVSA-N 0 1 295.361 3.971 20 0 CHADMN CC1(F)CC(N[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000453233833 331104857 /nfs/dbraw/zinc/10/48/57/331104857.db2.gz IHOLGAFJQHFLCO-WIHSUSGWSA-N 0 1 270.351 3.651 20 0 CHADMN COc1ccncc1CN[C@@H]1CC[C@H](C)c2ccsc21 ZINC000453248866 331107177 /nfs/dbraw/zinc/10/71/77/331107177.db2.gz XOYUSECGMLLBLZ-SMDDNHRTSA-N 0 1 288.416 3.880 20 0 CHADMN CC[C@@H](N[C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1)C(F)F ZINC000453253338 331108019 /nfs/dbraw/zinc/10/80/19/331108019.db2.gz WVXZZKHKVHTAAH-JUDXGUMMSA-N 0 1 283.362 3.821 20 0 CHADMN COc1ccc(Cl)cc1[C@@H](C)NCc1cnccc1C ZINC000453330783 331117753 /nfs/dbraw/zinc/11/77/53/331117753.db2.gz SPFNOPLIFZUHNM-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2cc(F)c(F)c(F)c2)cn1 ZINC000453347977 331120212 /nfs/dbraw/zinc/12/02/12/331120212.db2.gz GSLQHSJLMLQWAU-LLVKDONJSA-N 0 1 294.320 3.967 20 0 CHADMN COc1cccnc1CN[C@@H]1CC[C@@H](C)c2ccsc21 ZINC000453357157 331121921 /nfs/dbraw/zinc/12/19/21/331121921.db2.gz IGVUCTFOPIHBSX-DGCLKSJQSA-N 0 1 288.416 3.880 20 0 CHADMN Cc1nc([C@@H](C)NCCc2cc(C)ccc2F)cs1 ZINC000453364773 331123117 /nfs/dbraw/zinc/12/31/17/331123117.db2.gz SIWOJZAAKKVOAE-LLVKDONJSA-N 0 1 278.396 3.792 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2ccc(C)cc2C)o1 ZINC000453367320 331123335 /nfs/dbraw/zinc/12/33/35/331123335.db2.gz MBEMUDGZJAYURC-ZDUSSCGKSA-N 0 1 258.365 3.705 20 0 CHADMN CCCc1ncc(CN[C@@H](C)c2cccs2)o1 ZINC000453389896 331127237 /nfs/dbraw/zinc/12/72/37/331127237.db2.gz PTJJRMQBOAFEGQ-JTQLQIEISA-N 0 1 250.367 3.539 20 0 CHADMN CCCc1ncc(CN[C@@H](C)c2ccc(C)cc2)o1 ZINC000453400000 331128480 /nfs/dbraw/zinc/12/84/80/331128480.db2.gz YBHXOSHXBZNQLS-ZDUSSCGKSA-N 0 1 258.365 3.786 20 0 CHADMN CCc1ncc(CN[C@H](C)c2cccc(C)c2C)o1 ZINC000453401233 331128564 /nfs/dbraw/zinc/12/85/64/331128564.db2.gz ZANWYHHACGTCJF-CYBMUJFWSA-N 0 1 258.365 3.705 20 0 CHADMN Cc1cc(Br)c(CN2CC[C@@H]2C2CC2)s1 ZINC000453568564 331134416 /nfs/dbraw/zinc/13/44/16/331134416.db2.gz AESAGIQPFOPCBI-LLVKDONJSA-N 0 1 286.238 3.803 20 0 CHADMN CCC1CN(Cc2cc(Cl)cc3cccnc32)C1 ZINC000453601369 331135866 /nfs/dbraw/zinc/13/58/66/331135866.db2.gz HAUGEKGJDPSOJY-UHFFFAOYSA-N 0 1 260.768 3.730 20 0 CHADMN CC1(C)CC=C(C(=O)Nc2ccc3nc[nH]c3c2)CC1 ZINC000455113627 331160997 /nfs/dbraw/zinc/16/09/97/331160997.db2.gz UVPMHMAOYHDNJS-UHFFFAOYSA-N 0 1 269.348 3.638 20 0 CHADMN CC(C)[C@@H]1N(C(=O)c2cccc3n[nH]cc32)CC12CCCC2 ZINC000457167208 331213560 /nfs/dbraw/zinc/21/35/60/331213560.db2.gz MWLNVEUDQKEYPD-INIZCTEOSA-N 0 1 297.402 3.604 20 0 CHADMN C[C@@H](CC(F)(F)F)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000457833581 331235933 /nfs/dbraw/zinc/23/59/33/331235933.db2.gz ZQTXHPAYSGOCCW-YFKPBYRVSA-N 0 1 299.651 3.712 20 0 CHADMN CCC[C@H](NC(=O)Cc1[nH]nc2ccccc21)C1CCCC1 ZINC000458347084 331249626 /nfs/dbraw/zinc/24/96/26/331249626.db2.gz SGJAWUSPVVAQKM-HNNXBMFYSA-N 0 1 299.418 3.581 20 0 CHADMN c1coc(CN(Cc2cnc(C3CC3)nc2)C2CCCC2)c1 ZINC000459291178 331274840 /nfs/dbraw/zinc/27/48/40/331274840.db2.gz CQHICRPHTXWGHZ-UHFFFAOYSA-N 0 1 297.402 3.892 20 0 CHADMN CCN(Cc1cnc(C2CC2)nc1)Cc1ccccc1C ZINC000459292491 331274909 /nfs/dbraw/zinc/27/49/09/331274909.db2.gz DYPMNVSGCUQTOA-UHFFFAOYSA-N 0 1 281.403 3.685 20 0 CHADMN CC(C)N(Cc1cccs1)Cc1cnc(C2CC2)nc1 ZINC000459307857 331275685 /nfs/dbraw/zinc/27/56/85/331275685.db2.gz SRANFZMDCRVKBU-UHFFFAOYSA-N 0 1 287.432 3.826 20 0 CHADMN CCCCN(Cc1cnnn1CC)[C@H](C)c1ccccc1 ZINC000459331418 331276528 /nfs/dbraw/zinc/27/65/28/331276528.db2.gz TWGRAFLXUKZOGI-OAHLLOKOSA-N 0 1 286.423 3.661 20 0 CHADMN CCn1nncc1CN(CC1CCC1)[C@H](C)c1ccccc1 ZINC000459341224 331276996 /nfs/dbraw/zinc/27/69/96/331276996.db2.gz NTGFLWGYINRIMX-OAHLLOKOSA-N 0 1 298.434 3.661 20 0 CHADMN CCn1nncc1CN1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC000459345902 331277264 /nfs/dbraw/zinc/27/72/64/331277264.db2.gz SXGYQKCFWAQJQZ-QAPCUYQASA-N 0 1 298.434 3.580 20 0 CHADMN CCOC[C@@H]1CCN(Cc2c(F)cc(C)cc2Cl)C1 ZINC000459351829 331277416 /nfs/dbraw/zinc/27/74/16/331277416.db2.gz ZRPAZIIGNYRDDM-GFCCVEGCSA-N 0 1 285.790 3.646 20 0 CHADMN CC[C@@](C)(NCCOCC1CCCC1)c1nccs1 ZINC000459375932 331279123 /nfs/dbraw/zinc/27/91/23/331279123.db2.gz KVLSIEWCCBRMEL-OAHLLOKOSA-N 0 1 282.453 3.565 20 0 CHADMN COCc1cc(CN2CC[C@H](C)C3(CCCCC3)C2)no1 ZINC000459483103 331284339 /nfs/dbraw/zinc/28/43/39/331284339.db2.gz RPZJASCQEYZADY-AWEZNQCLSA-N 0 1 292.423 3.613 20 0 CHADMN CCc1nocc1CN(C)[C@H](C)c1ccc2c(c1)CCC2 ZINC000459490509 331284713 /nfs/dbraw/zinc/28/47/13/331284713.db2.gz SIHCUVAQIGKHNL-CYBMUJFWSA-N 0 1 284.403 3.919 20 0 CHADMN CC[C@@H](C)c1nnc([C@H](C)NC2CC(C(C)(C)C)C2)[nH]1 ZINC000459530718 331286138 /nfs/dbraw/zinc/28/61/38/331286138.db2.gz SPCKBNYCPVOPJS-IALDZJHCSA-N 0 1 278.444 3.794 20 0 CHADMN Cc1cc(CNC2(C(C)(C)c3ccc(F)cc3)CC2)no1 ZINC000459563613 331288089 /nfs/dbraw/zinc/28/80/89/331288089.db2.gz DOBHQPWOZNMVBX-UHFFFAOYSA-N 0 1 288.366 3.722 20 0 CHADMN CO[C@@H]1CCN(Cc2c(F)cc(C)cc2Cl)C[C@@H]1C ZINC000459587645 331289574 /nfs/dbraw/zinc/28/95/74/331289574.db2.gz WTLXVRVSNVWHIH-XHDPSFHLSA-N 0 1 285.790 3.644 20 0 CHADMN COCC1(C)CN(Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000459624472 331291053 /nfs/dbraw/zinc/29/10/53/331291053.db2.gz VFLQNRYGVLKSJR-UHFFFAOYSA-N 0 1 289.350 3.554 20 0 CHADMN CN(C)c1ccccc1CN1CC(C)(CC(F)(F)F)C1 ZINC000459637093 331291458 /nfs/dbraw/zinc/29/14/58/331291458.db2.gz LAAQZABCAXKFKJ-UHFFFAOYSA-N 0 1 286.341 3.527 20 0 CHADMN CCOC[C@H]1CCCCN1Cc1cnc(C(C)(C)C)s1 ZINC000459667360 331293238 /nfs/dbraw/zinc/29/32/38/331293238.db2.gz AKHNABHIYQKESY-CYBMUJFWSA-N 0 1 296.480 3.832 20 0 CHADMN Cc1ncsc1CCN1CCc2cccc(Cl)c2C1 ZINC000459670048 331293386 /nfs/dbraw/zinc/29/33/86/331293386.db2.gz DMNAPBHOLIIOFU-UHFFFAOYSA-N 0 1 292.835 3.706 20 0 CHADMN CCOC[C@H]1CCCCN1Cc1cnc(CC(C)C)s1 ZINC000459676277 331293705 /nfs/dbraw/zinc/29/37/05/331293705.db2.gz NKUBVPBQZZZEGR-CQSZACIVSA-N 0 1 296.480 3.733 20 0 CHADMN CCOC[C@@H]1CCCCN1Cc1cc2c(cccc2F)[nH]1 ZINC000459677231 331293747 /nfs/dbraw/zinc/29/37/47/331293747.db2.gz PNWDODZCHUBTKX-AWEZNQCLSA-N 0 1 290.382 3.698 20 0 CHADMN CCn1ccnc1CN(C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459687927 331294517 /nfs/dbraw/zinc/29/45/17/331294517.db2.gz XXJVYQROCHGPPL-DLBZAZTESA-N 0 1 283.419 3.671 20 0 CHADMN CCC1(c2ccccc2)CN(Cc2cnccc2C)C1 ZINC000459741611 331297418 /nfs/dbraw/zinc/29/74/18/331297418.db2.gz DEOJHUGJAUZFCM-UHFFFAOYSA-N 0 1 266.388 3.554 20 0 CHADMN CN(Cc1cnc(C(F)(F)F)s1)C1CC(C)(C)C1 ZINC000459742370 331297596 /nfs/dbraw/zinc/29/75/96/331297596.db2.gz VWSNKBGOKKJFGJ-UHFFFAOYSA-N 0 1 278.343 3.782 20 0 CHADMN CCc1nc(CN[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)cs1 ZINC000459745206 331297828 /nfs/dbraw/zinc/29/78/28/331297828.db2.gz FDAZVDSZEZHGMV-QWHCGFSZSA-N 0 1 296.480 3.777 20 0 CHADMN C[C@]1(NCc2ncc(C(F)(F)F)s2)CC=CCC1 ZINC000459747861 331298079 /nfs/dbraw/zinc/29/80/79/331298079.db2.gz HGBAXCHDPBORRS-NSHDSACASA-N 0 1 276.327 3.750 20 0 CHADMN Cc1nc(CN2CC3(CCCCC3)[C@H]2c2ccccc2)n[nH]1 ZINC000459759529 331298903 /nfs/dbraw/zinc/29/89/03/331298903.db2.gz WGFDBHYREIGZHN-QGZVFWFLSA-N 0 1 296.418 3.621 20 0 CHADMN CC[C@@H]1C[C@@H](CN2Cc3ccc(Cl)cc3C2)CCO1 ZINC000459771687 331299886 /nfs/dbraw/zinc/29/98/86/331299886.db2.gz ZDBYYZFGIWUVJO-BLLLJJGKSA-N 0 1 279.811 3.861 20 0 CHADMN CCCCc1nc(CN[C@H]2C[C@H](OC)C23CCC3)cs1 ZINC000459777555 331300414 /nfs/dbraw/zinc/30/04/14/331300414.db2.gz WDOLRKKEFKZUQR-KBPBESRZSA-N 0 1 294.464 3.533 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc2ccccc2c1)c1ccn(C)n1 ZINC000459792714 331301158 /nfs/dbraw/zinc/30/11/58/331301158.db2.gz OJRPXPRRKGOXNB-ZIAGYGMSSA-N 0 1 279.387 3.985 20 0 CHADMN Fc1cc(CNCc2ccccc2)c(F)cc1Cl ZINC000167550554 331308276 /nfs/dbraw/zinc/30/82/76/331308276.db2.gz PBZNCLGOLQBBAT-UHFFFAOYSA-N 0 1 267.706 3.908 20 0 CHADMN CCC1(C(=O)Nc2cccc(-c3nnc[nH]3)c2)CCCCC1 ZINC000461032915 331310868 /nfs/dbraw/zinc/31/08/68/331310868.db2.gz XXIOREVMIBOBOB-UHFFFAOYSA-N 0 1 298.390 3.771 20 0 CHADMN c1nnc(-c2ccccc2OC[C@@H]2C[C@H]2c2ccccc2)[nH]1 ZINC000461072025 331311042 /nfs/dbraw/zinc/31/10/42/331311042.db2.gz CQFPMJDSAAPBIP-HOCLYGCPSA-N 0 1 291.354 3.654 20 0 CHADMN COc1ccc(F)cc1CNCCO[C@H]1CCCC[C@@H]1C ZINC000462788465 331329037 /nfs/dbraw/zinc/32/90/37/331329037.db2.gz BTBQJZAHRHGWQX-BBRMVZONSA-N 0 1 295.398 3.519 20 0 CHADMN CC(C)[C@H]1C[C@@H](Nc2cc3c(cn2)CCCC3)CCO1 ZINC000462949922 331335795 /nfs/dbraw/zinc/33/57/95/331335795.db2.gz BHZINFFYZDPUNP-JKSUJKDBSA-N 0 1 274.408 3.576 20 0 CHADMN C[C@H](Nc1cc2c(cn1)CCCC2)C1CCSCC1 ZINC000462969916 331336214 /nfs/dbraw/zinc/33/62/14/331336214.db2.gz VEXJGFGLNAEGFE-LBPRGKRZSA-N 0 1 276.449 3.904 20 0 CHADMN CCN(CC(C)(C)C)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000463012713 331336985 /nfs/dbraw/zinc/33/69/85/331336985.db2.gz PPHYSFMWXKQRIN-UHFFFAOYSA-N 0 1 299.418 3.893 20 0 CHADMN CC(C)[C@@H]1CN(c2ccnc3cc(F)ccc32)CCS1 ZINC000463017798 331337092 /nfs/dbraw/zinc/33/70/92/331337092.db2.gz XKBGDFGSVAGZKI-INIZCTEOSA-N 0 1 290.407 3.952 20 0 CHADMN C[C@H](c1nc(CC2CC(C)(C)C2)no1)N1[C@H](C)CC[C@@H]1C ZINC000463172585 331341437 /nfs/dbraw/zinc/34/14/37/331341437.db2.gz MYFAMPCHNLUVLH-FRRDWIJNSA-N 0 1 291.439 3.982 20 0 CHADMN COc1cccc(OC)c1CNc1cc2c(cn1)CCCC2 ZINC000463250370 331344332 /nfs/dbraw/zinc/34/43/32/331344332.db2.gz MIBVHQDAGGGNAP-UHFFFAOYSA-N 0 1 298.386 3.590 20 0 CHADMN CCN(Cc1nc(-c2ccc(F)cc2)no1)CC(C)(C)C ZINC000463375452 331346814 /nfs/dbraw/zinc/34/68/14/331346814.db2.gz HNHXKPBWGULBML-UHFFFAOYSA-N 0 1 291.370 3.744 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](c2ccccc2)[C@@H]1C)c1ccon1 ZINC000464072535 331356120 /nfs/dbraw/zinc/35/61/20/331356120.db2.gz JFHCTFXDALSKMC-CAVOSLQRSA-N 0 1 256.349 3.517 20 0 CHADMN CCC(CC)[C@H](NC(=O)c1[nH]nc(C)c1C)c1ccccc1 ZINC000464303531 331359501 /nfs/dbraw/zinc/35/95/01/331359501.db2.gz ASVXMIXBYNULSS-KRWDZBQOSA-N 0 1 299.418 3.934 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1Cc1nc(CC(C)C)no1 ZINC000464727498 331365455 /nfs/dbraw/zinc/36/54/55/331365455.db2.gz BIZGSCLAKKTZDJ-KBPBESRZSA-N 0 1 279.428 3.669 20 0 CHADMN Cc1cccc(-c2noc(CN3C[C@H](C)CC[C@H]3C)n2)c1 ZINC000464828082 331370065 /nfs/dbraw/zinc/37/00/65/331370065.db2.gz IZODBJZZINPZBS-ZIAGYGMSSA-N 0 1 285.391 3.665 20 0 CHADMN c1ccc(CCCN2CCOC[C@@H]2c2ccccc2)cc1 ZINC000464833407 331370257 /nfs/dbraw/zinc/37/02/57/331370257.db2.gz QJWBBOJFEPONEE-LJQANCHMSA-N 0 1 281.399 3.693 20 0 CHADMN C[C@@H]1CCCN1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000464840321 331370688 /nfs/dbraw/zinc/37/06/88/331370688.db2.gz UJXFOOZCLSQSBF-LLVKDONJSA-N 0 1 276.767 3.979 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2cn3ccsc3n2)C1 ZINC000464846720 331370839 /nfs/dbraw/zinc/37/08/39/331370839.db2.gz SYJJKWIIRIORLF-HNNXBMFYSA-N 0 1 277.437 3.798 20 0 CHADMN Cc1ccc(-c2nc(CN3C[C@@H]4CCC[C@H]4C3)cs2)o1 ZINC000464847169 331370890 /nfs/dbraw/zinc/37/08/90/331370890.db2.gz CYIGYWIMBUAWFO-STQMWFEESA-N 0 1 288.416 3.943 20 0 CHADMN Cc1ccc2nc(CNC(=O)CCCC3CCCC3)[nH]c2c1 ZINC000465200075 331380403 /nfs/dbraw/zinc/38/04/03/331380403.db2.gz ZTBHBQWAKOKXBF-UHFFFAOYSA-N 0 1 299.418 3.848 20 0 CHADMN Cc1ccc2nc(CN[C@@H](C)c3ccc(F)cc3)[nH]c2c1 ZINC000465408643 331382910 /nfs/dbraw/zinc/38/29/10/331382910.db2.gz WUFMUHCWBWPSCQ-LBPRGKRZSA-N 0 1 283.350 3.861 20 0 CHADMN CN(CCC1CC1)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000466214639 331391070 /nfs/dbraw/zinc/39/10/70/331391070.db2.gz IYJJLBBXAQNKHC-UHFFFAOYSA-N 0 1 289.810 3.758 20 0 CHADMN CC/C=C\CC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000466222045 331391216 /nfs/dbraw/zinc/39/12/16/331391216.db2.gz GRIKKXWNLMINOG-QGZUEGPWSA-N 0 1 296.418 3.965 20 0 CHADMN CN(Cc1cc(Cl)cn1C)[C@H]1CCc2ccc(F)cc21 ZINC000466483084 331398257 /nfs/dbraw/zinc/39/82/57/331398257.db2.gz UNZSBKQINWCQNG-INIZCTEOSA-N 0 1 292.785 3.937 20 0 CHADMN CCCCc1noc([C@H](C)N2CCC[C@H](CCC)C2)n1 ZINC000466490421 331398297 /nfs/dbraw/zinc/39/82/97/331398297.db2.gz ZSDHGYXOFOEHGM-KBPBESRZSA-N 0 1 279.428 3.985 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCC[C@H](CCC)C2)n1 ZINC000466490422 331398309 /nfs/dbraw/zinc/39/83/09/331398309.db2.gz ZSDHGYXOFOEHGM-KGLIPLIRSA-N 0 1 279.428 3.985 20 0 CHADMN Cc1cc([C@H](C)N[C@H](CO)c2ccsc2)cc(C)c1F ZINC000471615830 331513518 /nfs/dbraw/zinc/51/35/18/331513518.db2.gz XYLKVEDZNINIEN-SWLSCSKDSA-N 0 1 293.407 3.888 20 0 CHADMN CCCCOc1cc(CNC(C)(C)CF)ccc1OC ZINC000472159894 331530551 /nfs/dbraw/zinc/53/05/51/331530551.db2.gz SHCLKXUREJVBCK-UHFFFAOYSA-N 0 1 283.387 3.712 20 0 CHADMN CCCc1noc(CN[C@H]2CCC[C@@H]2CCC(C)C)n1 ZINC000472607832 331540199 /nfs/dbraw/zinc/54/01/99/331540199.db2.gz HGEVOMXWTSDOIW-KGLIPLIRSA-N 0 1 279.428 3.717 20 0 CHADMN CC(C)n1nccc1CNCc1ccc2ccccc2c1 ZINC000474628399 331592755 /nfs/dbraw/zinc/59/27/55/331592755.db2.gz IWTVKLWTDGMQDT-UHFFFAOYSA-N 0 1 279.387 3.907 20 0 CHADMN CC(C)[C@H](C)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000475623932 331639636 /nfs/dbraw/zinc/63/96/36/331639636.db2.gz ITYSUSVHSLTQJN-CABZTGNLSA-N 0 1 276.207 3.661 20 0 CHADMN Cc1cccc(NC(=O)CNC2(c3ccccc3)CC2)c1C ZINC000477412214 331683752 /nfs/dbraw/zinc/68/37/52/331683752.db2.gz JEWMMQZBLQCZNY-UHFFFAOYSA-N 0 1 294.398 3.521 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@H]1CCCSC1 ZINC000480076766 331756910 /nfs/dbraw/zinc/75/69/10/331756910.db2.gz WWTCRIZTOBNGHG-JTQLQIEISA-N 0 1 292.379 3.690 20 0 CHADMN C[C@@H](c1nc(-c2cccc(F)c2)no1)N1CCCCCC1 ZINC000480499335 331774737 /nfs/dbraw/zinc/77/47/37/331774737.db2.gz YPYZCEVUKHNIGM-LBPRGKRZSA-N 0 1 289.354 3.813 20 0 CHADMN CC[C@@H](NCc1cccc(C(C)C)c1)c1nccn1C ZINC000480673431 331783583 /nfs/dbraw/zinc/78/35/83/331783583.db2.gz QQLSGHNFVXAEOU-MRXNPFEDSA-N 0 1 271.408 3.784 20 0 CHADMN COC[C@@H](CC(C)C)NCc1nc(C(C)(C)C)cs1 ZINC000482560063 331838798 /nfs/dbraw/zinc/83/87/98/331838798.db2.gz SYGMUZWIANUZCJ-GFCCVEGCSA-N 0 1 284.469 3.591 20 0 CHADMN Cc1ccccc1-c1nc(CNC[C@@H]2CCC[C@H](C)C2)no1 ZINC000483305664 331868487 /nfs/dbraw/zinc/86/84/87/331868487.db2.gz CJTPSYJJCMVDMA-DZGCQCFKSA-N 0 1 299.418 3.961 20 0 CHADMN CCC[C@@H](CN[C@@H](C)c1nc(C)no1)c1ccccc1 ZINC000483339027 331870222 /nfs/dbraw/zinc/87/02/22/331870222.db2.gz LTAOGHGGXSRCGS-WFASDCNBSA-N 0 1 273.380 3.613 20 0 CHADMN CCC(CC)CNCc1noc(-c2ccccc2C)n1 ZINC000483838869 331885870 /nfs/dbraw/zinc/88/58/70/331885870.db2.gz YVPIDXHBZHDZLJ-UHFFFAOYSA-N 0 1 273.380 3.571 20 0 CHADMN CC1(C)OCc2cc(CN3CC4(C3)CCCC4)ccc2O1 ZINC000485299089 331911385 /nfs/dbraw/zinc/91/13/85/331911385.db2.gz FOAGRUMWEDAVEC-UHFFFAOYSA-N 0 1 287.403 3.708 20 0 CHADMN COc1ccccc1/C=C\CN1CC2(C1)CCCC2 ZINC000485299613 331911590 /nfs/dbraw/zinc/91/15/90/331911590.db2.gz GYATYFXCQJEVNL-VURMDHGXSA-N 0 1 257.377 3.584 20 0 CHADMN CC[C@@H](NC/C=C\c1ccncc1)c1nc(C)cs1 ZINC000487301526 331964417 /nfs/dbraw/zinc/96/44/17/331964417.db2.gz HZCUYIYPEZNTMX-ZRUQZJFASA-N 0 1 273.405 3.601 20 0 CHADMN Cc1csc([C@H](NC/C=C/c2ccncc2)C2CC2)n1 ZINC000487301188 331964460 /nfs/dbraw/zinc/96/44/60/331964460.db2.gz XLZUYIMNYPBICI-XYBNCVKDSA-N 0 1 285.416 3.601 20 0 CHADMN C[C@@H](NC/C=C/c1ccncc1)c1cccc(F)c1F ZINC000487532660 331972649 /nfs/dbraw/zinc/97/26/49/331972649.db2.gz CONVXWFFCBASFO-AAOUONPWSA-N 0 1 274.314 3.724 20 0 CHADMN Fc1ccc(-n2ccc(CN3CCCCCC3)n2)c(F)c1 ZINC000487595028 331976431 /nfs/dbraw/zinc/97/64/31/331976431.db2.gz HISUYPPGWAYZCJ-UHFFFAOYSA-N 0 1 291.345 3.527 20 0 CHADMN C[C@@H]1CSCCN(Cc2ccsc2Cl)C1 ZINC000488398959 332004064 /nfs/dbraw/zinc/00/40/64/332004064.db2.gz RKQDJWGMVNMXLL-VIFPVBQESA-N 0 1 261.843 3.586 20 0 CHADMN C[C@H](NC[C@@H]1CCC(C)(C)O1)c1c(F)cccc1F ZINC000488147849 331992210 /nfs/dbraw/zinc/99/22/10/331992210.db2.gz JFHLGNKQQWVWKW-QWRGUYRKSA-N 0 1 269.335 3.573 20 0 CHADMN Cc1cnc([C@H](C)N[C@H]2CS[C@@H](C(C)C)C2)s1 ZINC000488424164 332006561 /nfs/dbraw/zinc/00/65/61/332006561.db2.gz RNDRUIBAPMXRFI-QJPTWQEYSA-N 0 1 270.467 3.632 20 0 CHADMN CC(C)c1csc(CN[C@@H]2CS[C@@H](C(C)C)C2)n1 ZINC000488427188 332006966 /nfs/dbraw/zinc/00/69/66/332006966.db2.gz FTCSEBYQQYINEL-WCQYABFASA-N 0 1 284.494 3.886 20 0 CHADMN CCc1nc([C@@H](C)NC2CC(C(C)C)C2)cs1 ZINC000488440601 332008806 /nfs/dbraw/zinc/00/88/06/332008806.db2.gz BLWGMDCXNBNEQI-VOMCLLRMSA-N 0 1 252.427 3.791 20 0 CHADMN Cc1ccc(C[C@H](C)C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000488487162 332013129 /nfs/dbraw/zinc/01/31/29/332013129.db2.gz CCBXUFNRFHIPQP-ZDUSSCGKSA-N 0 1 293.370 3.689 20 0 CHADMN C[C@@H]1C[C@@H]1CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000488529569 332015775 /nfs/dbraw/zinc/01/57/75/332015775.db2.gz IZHNVMSCIQXEHA-KYOSRNDESA-N 0 1 299.336 3.735 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)NC[C@H]3C[C@H]3C)n2)cc1 ZINC000488536477 332016111 /nfs/dbraw/zinc/01/61/11/332016111.db2.gz WCKFDWXCHWAPLL-TYNCELHUSA-N 0 1 285.391 3.606 20 0 CHADMN Cc1ccoc1CNc1ccnc2cc(F)ccc21 ZINC000488703215 332021867 /nfs/dbraw/zinc/02/18/67/332021867.db2.gz JUUAOGNSHOOKEZ-UHFFFAOYSA-N 0 1 256.280 3.887 20 0 CHADMN Cc1cc(C)c(C(=O)Nc2nc3ccc(F)cc3[nH]2)c(C)c1 ZINC000488894056 332032564 /nfs/dbraw/zinc/03/25/64/332032564.db2.gz SXEDDRNNSICDJL-UHFFFAOYSA-N 0 1 297.333 3.880 20 0 CHADMN C[C@H](CC(=O)Nc1nc2ccc(F)cc2[nH]1)C(C)(C)C ZINC000488912495 332033351 /nfs/dbraw/zinc/03/33/51/332033351.db2.gz GPOJIWSJHZMGLX-SECBINFHSA-N 0 1 277.343 3.713 20 0 CHADMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cccc(Cl)c1 ZINC000488910145 332033439 /nfs/dbraw/zinc/03/34/39/332033439.db2.gz BSNOTPWYUWMUEC-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN CCCC(CCC)C(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000489280724 332044872 /nfs/dbraw/zinc/04/48/72/332044872.db2.gz NSHZIYOCLKRCLF-VXGBXAGGSA-N 0 1 294.443 3.712 20 0 CHADMN CC(C)c1ccc([C@H]2CCCCN2C(=O)c2cnc[nH]2)cc1 ZINC000489491731 332056353 /nfs/dbraw/zinc/05/63/53/332056353.db2.gz WOCXWAKJKBKGPZ-QGZVFWFLSA-N 0 1 297.402 3.901 20 0 CHADMN Fc1cncc(CNc2nc3cc(Cl)ccc3s2)c1 ZINC000489803686 332068368 /nfs/dbraw/zinc/06/83/68/332068368.db2.gz DVJAQJHIEBDPCN-UHFFFAOYSA-N 0 1 293.754 3.518 20 0 CHADMN CCC(C)(C)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000490268685 332085804 /nfs/dbraw/zinc/08/58/04/332085804.db2.gz DDQMDDOJICVIKT-UHFFFAOYSA-N 0 1 299.296 3.956 20 0 CHADMN CC(C)[C@H](C)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000490317717 332086701 /nfs/dbraw/zinc/08/67/01/332086701.db2.gz ZXLFWTBVUZAUQN-QMMMGPOBSA-N 0 1 299.296 3.812 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@H]1CC2CCC1CC2 ZINC000490744895 332112363 /nfs/dbraw/zinc/11/23/63/332112363.db2.gz IRSOUCNYUHTXTK-ILDUYXDCSA-N 0 1 279.767 3.810 20 0 CHADMN Fc1ccc(Br)cc1CN1CC[C@H](C2CC2)C1 ZINC000491116961 332151155 /nfs/dbraw/zinc/15/11/55/332151155.db2.gz MNQMHGNBPFRXRU-NSHDSACASA-N 0 1 298.199 3.820 20 0 CHADMN CC(C)(C)c1nc(CN2CC[C@@H](C3CC3)C2)cs1 ZINC000491139488 332154926 /nfs/dbraw/zinc/15/49/26/332154926.db2.gz UIXKENBLYFNYFE-GFCCVEGCSA-N 0 1 264.438 3.673 20 0 CHADMN Cc1ccoc1CNCc1ccc(F)c2cccnc12 ZINC000491401840 332205135 /nfs/dbraw/zinc/20/51/35/332205135.db2.gz QUIJWDXQKJXTNW-UHFFFAOYSA-N 0 1 270.307 3.565 20 0 CHADMN Cc1ccc2nc(NC(=O)CCc3ccc(F)cc3)[nH]c2c1 ZINC000575347158 335096024 /nfs/dbraw/zinc/09/60/24/335096024.db2.gz NPKSLVMQONCWRA-UHFFFAOYSA-N 0 1 297.333 3.582 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3sc(Cl)cc32)nc1 ZINC000335851551 335097782 /nfs/dbraw/zinc/09/77/82/335097782.db2.gz VUXNWIXCJSCJRG-LBPRGKRZSA-N 0 1 278.808 3.882 20 0 CHADMN O=C(/C=C/C1CCC1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000492246952 332388830 /nfs/dbraw/zinc/38/88/30/332388830.db2.gz HGICXLGAVXMTDB-QPJJXVBHSA-N 0 1 291.301 3.795 20 0 CHADMN Cc1nc2ccc(CNCc3scnc3C)cc2s1 ZINC000493999649 332460351 /nfs/dbraw/zinc/46/03/51/332460351.db2.gz LAHLPICVVFTCIX-UHFFFAOYSA-N 0 1 289.429 3.659 20 0 CHADMN CC(C)COc1cccc(CNCc2cncc(F)c2)c1 ZINC000494580235 332478575 /nfs/dbraw/zinc/47/85/75/332478575.db2.gz OWBLWCXQQJAWHM-UHFFFAOYSA-N 0 1 288.366 3.545 20 0 CHADMN COc1ccccc1[C@H](N[C@@H]1C[C@@H](C)[C@@H]1C)c1ccccn1 ZINC000495057021 332501911 /nfs/dbraw/zinc/50/19/11/332501911.db2.gz FCYZPMUAIUNNFQ-AHMDFLBRSA-N 0 1 296.414 3.814 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc2ccccc21 ZINC000575755371 335112463 /nfs/dbraw/zinc/11/24/63/335112463.db2.gz MKJBNQRWGQHPDT-QGZVFWFLSA-N 0 1 285.387 3.771 20 0 CHADMN CC(C)CCc1noc(CNC2[C@@H](C)CCC[C@@H]2C)n1 ZINC000553095192 334360990 /nfs/dbraw/zinc/36/09/90/334360990.db2.gz JWRMSUXAKAMESY-STQMWFEESA-N 0 1 279.428 3.573 20 0 CHADMN CCn1cc(CN[C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)cn1 ZINC000500424568 332608222 /nfs/dbraw/zinc/60/82/22/332608222.db2.gz LITVREMWLNPSLG-LRDDRELGSA-N 0 1 289.810 3.581 20 0 CHADMN CC[C@@H]1C[C@]1(NCc1cnoc1C)c1cccc(C)c1 ZINC000502591120 332666870 /nfs/dbraw/zinc/66/68/70/332666870.db2.gz KMPPMYBBYCENJM-NVXWUHKLSA-N 0 1 270.376 3.706 20 0 CHADMN COc1ccc(CN2CCCCCC2)c(OC(F)F)c1 ZINC000505460661 332741274 /nfs/dbraw/zinc/74/12/74/332741274.db2.gz DVFMMCMOYQZECF-UHFFFAOYSA-N 0 1 285.334 3.673 20 0 CHADMN Cc1ccc(-c2noc([C@@H](C)N[C@@H](C)C3CC3)n2)cc1F ZINC000505748655 332750916 /nfs/dbraw/zinc/75/09/16/332750916.db2.gz ZAOOBVCSVIVILN-WDEREUQCSA-N 0 1 289.354 3.633 20 0 CHADMN CN(Cc1ccc(Cl)cc1)Cc1cccc(O)c1 ZINC000174597303 333003520 /nfs/dbraw/zinc/00/35/20/333003520.db2.gz MOXWKAGPYFMJLO-UHFFFAOYSA-N 0 1 261.752 3.678 20 0 CHADMN CC[C@H](c1ccccc1)N1CCOc2cc(O)ccc2C1 ZINC000513122035 333005404 /nfs/dbraw/zinc/00/54/04/333005404.db2.gz KZBKXAJHRWPKDA-QGZVFWFLSA-N 0 1 283.371 3.738 20 0 CHADMN FC(F)c1nc2ccccc2c(N2CCc3cnccc32)n1 ZINC000175006478 333012800 /nfs/dbraw/zinc/01/28/00/333012800.db2.gz HLFRBFYFTCFPRS-UHFFFAOYSA-N 0 1 298.296 3.657 20 0 CHADMN CO[C@@H]1C[C@H](N[C@H](C)c2c(F)cccc2F)C12CCC2 ZINC000308349655 333027862 /nfs/dbraw/zinc/02/78/62/333027862.db2.gz CBJXJYIKIXQTFI-DDTOSNHZSA-N 0 1 281.346 3.573 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000513660873 333030132 /nfs/dbraw/zinc/03/01/32/333030132.db2.gz LBDOSJQHMHITDP-CHWSQXEVSA-N 0 1 284.359 3.531 20 0 CHADMN Cc1ccnc([C@@H](C)NCc2cccc(OC(F)F)c2)c1 ZINC000513703131 333033914 /nfs/dbraw/zinc/03/39/14/333033914.db2.gz QUGNLXCIFNDPCY-GFCCVEGCSA-N 0 1 292.329 3.842 20 0 CHADMN COc1ccc(-c2ccccc2)cc1CN(C)[C@H]1CCOC1 ZINC000513725609 333035819 /nfs/dbraw/zinc/03/58/19/333035819.db2.gz QSVGNNYRNYHCAX-SFHVURJKSA-N 0 1 297.398 3.583 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cccc3c2OCCO3)cc1 ZINC000513787648 333039138 /nfs/dbraw/zinc/03/91/38/333039138.db2.gz CGFJVBKSGSSOOF-OAHLLOKOSA-N 0 1 297.398 3.959 20 0 CHADMN CCC[N@@H+](Cc1ccc(OC)nn1)[C@@H](CC)c1ccccc1 ZINC000513882500 333046078 /nfs/dbraw/zinc/04/60/78/333046078.db2.gz KBJKWESJUTWUGZ-KRWDZBQOSA-N 0 1 299.418 3.849 20 0 CHADMN C[C@H]1CCC[N@H+]1[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000575809964 335117985 /nfs/dbraw/zinc/11/79/85/335117985.db2.gz GUHOLMOQGNOSBP-QPUJVOFHSA-N 0 1 288.174 3.603 20 0 CHADMN CC[C@@H](F)CNC1(c2ccc(Br)cc2)CC1 ZINC000310032635 333053212 /nfs/dbraw/zinc/05/32/12/333053212.db2.gz ROJDWCYZEBXTHX-GFCCVEGCSA-N 0 1 286.188 3.776 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1[C@H](C)CC[C@H]1C ZINC000177099110 333053429 /nfs/dbraw/zinc/05/34/29/333053429.db2.gz OKZVZZOPWYADDY-CHWSQXEVSA-N 0 1 275.392 3.661 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1nc(C(C)C)no1 ZINC000177107189 333053676 /nfs/dbraw/zinc/05/36/76/333053676.db2.gz VQMCNUOVQNGXKV-ZDUSSCGKSA-N 0 1 265.401 3.594 20 0 CHADMN CC(C)C[C@@H]1CCCCN1Cc1nc(C(C)C)no1 ZINC000177107189 333053677 /nfs/dbraw/zinc/05/36/77/333053677.db2.gz VQMCNUOVQNGXKV-ZDUSSCGKSA-N 0 1 265.401 3.594 20 0 CHADMN CC(C)CCN1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000177202699 333054948 /nfs/dbraw/zinc/05/49/48/333054948.db2.gz HFVHLHSKRPICEI-GXTWGEPZSA-N 0 1 253.411 3.556 20 0 CHADMN CC[C@H]1CN(C(c2ccccc2)c2ccccc2)CCO1 ZINC000513964731 333055871 /nfs/dbraw/zinc/05/58/71/333055871.db2.gz NFHZHHQFLLLMKU-SFHVURJKSA-N 0 1 281.399 3.887 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000514004156 333059213 /nfs/dbraw/zinc/05/92/13/333059213.db2.gz CJWHHYRVCJGSGD-LBPRGKRZSA-N 0 1 258.390 3.652 20 0 CHADMN C[C@H]1CCN(Cc2csc(-c3ccccc3)n2)C1 ZINC000514004156 333059214 /nfs/dbraw/zinc/05/92/14/333059214.db2.gz CJWHHYRVCJGSGD-LBPRGKRZSA-N 0 1 258.390 3.652 20 0 CHADMN Cc1ccc(-c2noc([C@@H](C)N3CC[C@H](C)C3)n2)cc1F ZINC000514006558 333059414 /nfs/dbraw/zinc/05/94/14/333059414.db2.gz MKESSBMRAPLFLV-CMPLNLGQSA-N 0 1 289.354 3.587 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCCCCC1 ZINC000177632396 333061221 /nfs/dbraw/zinc/06/12/21/333061221.db2.gz KHQOOFFILDUCMK-LBPRGKRZSA-N 0 1 250.386 3.909 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N(C)CC1CCC1 ZINC000177680450 333061545 /nfs/dbraw/zinc/06/15/45/333061545.db2.gz XMTVQHIQANEZLK-LLVKDONJSA-N 0 1 250.386 3.765 20 0 CHADMN CCOc1ncccc1CN[C@H]1CC(C)(C)c2ccccc21 ZINC000177891562 333065356 /nfs/dbraw/zinc/06/53/56/333065356.db2.gz BIQLYZLHWPBTTA-KRWDZBQOSA-N 0 1 296.414 3.993 20 0 CHADMN CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000311324421 333067250 /nfs/dbraw/zinc/06/72/50/333067250.db2.gz AMCFGHOWPYTSHP-WDEREUQCSA-N 0 1 281.783 3.696 20 0 CHADMN C[C@H](NC1CCCCC1)c1nc(Cc2ccccc2)no1 ZINC000178361221 333071536 /nfs/dbraw/zinc/07/15/36/333071536.db2.gz ACNNIJATZPAKDZ-ZDUSSCGKSA-N 0 1 285.391 3.644 20 0 CHADMN Cc1ccc(CN2CCOc3ccc(C)cc3C2)s1 ZINC000517203293 333094709 /nfs/dbraw/zinc/09/47/09/333094709.db2.gz OWIXODBCBQYDDN-UHFFFAOYSA-N 0 1 273.401 3.760 20 0 CHADMN COc1cc([C@@H](C)NC2(c3ccc(F)cc3)CC2)ccn1 ZINC000517390656 333098563 /nfs/dbraw/zinc/09/85/63/333098563.db2.gz HXQPDFZZHKPEBT-GFCCVEGCSA-N 0 1 286.350 3.569 20 0 CHADMN Cc1ccc2nc(S[C@@H](C)c3cnc(C)cn3)[nH]c2c1 ZINC000517469509 333100046 /nfs/dbraw/zinc/10/00/46/333100046.db2.gz MAYSCRMXGCSGJK-NSHDSACASA-N 0 1 284.388 3.823 20 0 CHADMN C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ncccc1[O-] ZINC000517625698 333104359 /nfs/dbraw/zinc/10/43/59/333104359.db2.gz IXJPKYLZENUDBW-CQSZACIVSA-N 0 1 282.387 3.588 20 0 CHADMN C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1ncccc1[O-] ZINC000517625698 333104361 /nfs/dbraw/zinc/10/43/61/333104361.db2.gz IXJPKYLZENUDBW-CQSZACIVSA-N 0 1 282.387 3.588 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C1CCCCCC1 ZINC000520922417 333107829 /nfs/dbraw/zinc/10/78/29/333107829.db2.gz LBJPXXIRZODQGI-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN CCCN(CCC)C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000520967974 333109243 /nfs/dbraw/zinc/10/92/43/333109243.db2.gz LNABKINMIYQRAA-QGZVFWFLSA-N 0 1 290.451 3.718 20 0 CHADMN CCCC[C@H](CC)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000520997846 333109700 /nfs/dbraw/zinc/10/97/00/333109700.db2.gz IBIYOAZWCUCXJS-NSHDSACASA-N 0 1 259.353 3.718 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000182813273 333117550 /nfs/dbraw/zinc/11/75/50/333117550.db2.gz HURFYADLBRRXTI-LIRRHRJNSA-N 0 1 299.389 3.901 20 0 CHADMN C[C@H](CCC1CC1)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000184063851 333124837 /nfs/dbraw/zinc/12/48/37/333124837.db2.gz QINPSNRIJNHUFY-KGLIPLIRSA-N 0 1 299.418 3.890 20 0 CHADMN CCc1oc2ccccc2c1CN(C)[C@@H](C)c1cnccn1 ZINC000184390058 333128007 /nfs/dbraw/zinc/12/80/07/333128007.db2.gz QNFSAMRBYOMGFL-ZDUSSCGKSA-N 0 1 295.386 3.978 20 0 CHADMN C[C@H]1CCCC[C@@H]1NCc1nc(CCc2ccccc2)no1 ZINC000184587945 333130133 /nfs/dbraw/zinc/13/01/33/333130133.db2.gz HPYPRMZTMQCTDR-HOCLYGCPSA-N 0 1 299.418 3.523 20 0 CHADMN CC(C)C[C@H](C)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000184665185 333131372 /nfs/dbraw/zinc/13/13/72/333131372.db2.gz LTEOULYECNBADK-NWDGAFQWSA-N 0 1 291.370 3.961 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000219086605 333141380 /nfs/dbraw/zinc/14/13/80/333141380.db2.gz SYVVBVFILMDEGS-XJKSGUPXSA-N 0 1 287.382 3.972 20 0 CHADMN Cc1cc(CN(C)CC2CCC(C(F)(F)F)CC2)no1 ZINC000185497496 333142059 /nfs/dbraw/zinc/14/20/59/333142059.db2.gz IFELAPUVBIMVBK-UHFFFAOYSA-N 0 1 290.329 3.784 20 0 CHADMN Oc1cc(F)cc(CN[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000185496585 333142104 /nfs/dbraw/zinc/14/21/04/333142104.db2.gz ZMECSLCAUNZGFM-INIZCTEOSA-N 0 1 291.753 3.962 20 0 CHADMN CC[C@H]1[C@H](C)CCN1Cc1nc(Cc2ccccc2C)no1 ZINC000185615424 333144915 /nfs/dbraw/zinc/14/49/15/333144915.db2.gz FAIRCWWALRXGRC-ZBFHGGJFSA-N 0 1 299.418 3.589 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CC=C(COC)CC1 ZINC000185821856 333149693 /nfs/dbraw/zinc/14/96/93/333149693.db2.gz FRTOMKUUNFZPRO-INIZCTEOSA-N 0 1 281.346 3.694 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@@H]2N[C@@H](CCO)c1ccco1 ZINC000186291585 333158156 /nfs/dbraw/zinc/15/81/56/333158156.db2.gz NZFWYFUNTAXBBU-IRXDYDNUSA-N 0 1 299.414 3.987 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@@H](O)C2CCCCC2)cs1 ZINC000186313917 333158541 /nfs/dbraw/zinc/15/85/41/333158541.db2.gz NLHMOYIHIXSQFM-SWLSCSKDSA-N 0 1 296.480 3.858 20 0 CHADMN C[C@@H](N[C@@H](C)CCC1CC1)c1noc(-c2ccccc2)n1 ZINC000186388251 333160006 /nfs/dbraw/zinc/16/00/06/333160006.db2.gz NHIGXURPQQYOAS-QWHCGFSZSA-N 0 1 285.391 3.966 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](CCO)c2ccco2)c(C)s1 ZINC000186529379 333162431 /nfs/dbraw/zinc/16/24/31/333162431.db2.gz OPXSNCLKDJZSTR-RISCZKNCSA-N 0 1 279.405 3.732 20 0 CHADMN CC(C)(C)c1n[nH]cc1CN1Cc2ccccc2C2(CC2)C1 ZINC000187678804 333173609 /nfs/dbraw/zinc/17/36/09/333173609.db2.gz PXWFQADSQWKSFH-UHFFFAOYSA-N 0 1 295.430 3.755 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000572523011 333184879 /nfs/dbraw/zinc/18/48/79/333184879.db2.gz RMLLQSDNBWRDIC-HBUWYVDXSA-N 0 1 297.398 3.943 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cncc(F)c2)cc1 ZINC000222917888 333202103 /nfs/dbraw/zinc/20/21/03/333202103.db2.gz NGGVSBQGGXVVKE-VXGBXAGGSA-N 0 1 274.339 3.641 20 0 CHADMN Clc1cccc(Cl)c1CN[C@@H]1CCSC1 ZINC000222932339 333202338 /nfs/dbraw/zinc/20/23/38/333202338.db2.gz BNFKBUKHDAWTOX-MRVPVSSYSA-N 0 1 262.205 3.589 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1csc(Cl)c1 ZINC000191334204 333218381 /nfs/dbraw/zinc/21/83/81/333218381.db2.gz ZENZNAMZTSIPLD-JBLDHEPKSA-N 0 1 284.856 3.677 20 0 CHADMN C[C@H](N[C@H]1CCCC(C)(C)C1)c1nc(C(C)(C)C)no1 ZINC000191569272 333221625 /nfs/dbraw/zinc/22/16/25/333221625.db2.gz QXDMSSXSTCQJLQ-RYUDHWBXSA-N 0 1 279.428 3.987 20 0 CHADMN C[C@H](N[C@@H]1CCCCC1(C)C)c1nc(C(C)(C)C)no1 ZINC000191572622 333221650 /nfs/dbraw/zinc/22/16/50/333221650.db2.gz KWTPTQBCBJGUEB-NWDGAFQWSA-N 0 1 279.428 3.987 20 0 CHADMN CCC[C@@H](C)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000191582244 333221884 /nfs/dbraw/zinc/22/18/84/333221884.db2.gz RIRGTUHKGBHWJV-VXGBXAGGSA-N 0 1 265.401 3.957 20 0 CHADMN C[C@H](NCCOC1CCCCC1)c1cccc(F)c1F ZINC000224981486 333228285 /nfs/dbraw/zinc/22/82/85/333228285.db2.gz NNXUDKDGVKYCBZ-LBPRGKRZSA-N 0 1 283.362 3.965 20 0 CHADMN Clc1cc2c(s1)CCN(CCCC1CCOCC1)C2 ZINC000521997619 333229713 /nfs/dbraw/zinc/22/97/13/333229713.db2.gz QMTZEFDRASTKRW-UHFFFAOYSA-N 0 1 299.867 3.966 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2ncccc2O)C1 ZINC000522034975 333231035 /nfs/dbraw/zinc/23/10/35/333231035.db2.gz ISJMJBIMRYCJCX-LRDDRELGSA-N 0 1 286.350 3.509 20 0 CHADMN C[C@H](N[C@H]1COCc2ccccc21)c1ccccc1 ZINC000225973874 333244009 /nfs/dbraw/zinc/24/40/09/333244009.db2.gz LVXNRBATFWXSAH-GUYCJALGSA-N 0 1 253.345 3.609 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@H]2COCc3ccccc32)s1 ZINC000225994248 333244618 /nfs/dbraw/zinc/24/46/18/333244618.db2.gz SDUFYLFZLAUXHT-NHYWBVRUSA-N 0 1 288.416 3.682 20 0 CHADMN CCN(Cc1cnn(C)c1)[C@H](C)c1cc2ccccc2o1 ZINC000195107147 333245420 /nfs/dbraw/zinc/24/54/20/333245420.db2.gz MSRLMCKIMFPCIP-CYBMUJFWSA-N 0 1 283.375 3.749 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1cc(Cl)cs1 ZINC000193242244 333246187 /nfs/dbraw/zinc/24/61/87/333246187.db2.gz QPNHNEPCNCYFHV-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226396936 333259826 /nfs/dbraw/zinc/25/98/26/333259826.db2.gz DLWWKDUEGXAPAB-DZGCQCFKSA-N 0 1 289.419 3.842 20 0 CHADMN CC(C)(C)CCN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000522209021 333264324 /nfs/dbraw/zinc/26/43/24/333264324.db2.gz POBJMORGEWQSHP-OAHLLOKOSA-N 0 1 265.372 3.635 20 0 CHADMN CSCC[C@H](C)N(C)Cc1sccc1Cl ZINC000194407257 333270581 /nfs/dbraw/zinc/27/05/81/333270581.db2.gz LROIBBMPPCOVPD-VIFPVBQESA-N 0 1 263.859 3.975 20 0 CHADMN CCCN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000522555033 333289773 /nfs/dbraw/zinc/28/97/73/333289773.db2.gz GQSOGYOWUWOYMX-CYBMUJFWSA-N 0 1 255.814 3.840 20 0 CHADMN C[C@H]1CCN(C(=O)c2cccc3c[nH]nc32)c2ccccc21 ZINC000194603337 333273056 /nfs/dbraw/zinc/27/30/56/333273056.db2.gz UJCTXBWKPAUOPU-LBPRGKRZSA-N 0 1 291.354 3.717 20 0 CHADMN CCN(C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)C(C)C ZINC000194811610 333277816 /nfs/dbraw/zinc/27/78/16/333277816.db2.gz NOGYPIKSJIDOTR-UHFFFAOYSA-N 0 1 291.782 3.601 20 0 CHADMN Cc1ccc(CNCc2c(C)c3ccccc3n2C)o1 ZINC000227527409 333285017 /nfs/dbraw/zinc/28/50/17/333285017.db2.gz QZOJVUYABAESBW-UHFFFAOYSA-N 0 1 268.360 3.678 20 0 CHADMN CC(C)c1ccc([C@@H](C)[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000227818420 333288910 /nfs/dbraw/zinc/28/89/10/333288910.db2.gz JIRQOEOVINUFAT-XJKCOSOUSA-N 0 1 275.392 3.524 20 0 CHADMN CCO[C@H]1C[C@H](NCc2nc(C)c(C)o2)C12CCCCC2 ZINC000227863317 333289555 /nfs/dbraw/zinc/28/95/55/333289555.db2.gz CWMRDIWTRPDUDG-GJZGRUSLSA-N 0 1 292.423 3.509 20 0 CHADMN Cc1n[nH]c(C(=O)NCCCc2ccc(C(C)C)cc2)c1C ZINC000522637411 333293955 /nfs/dbraw/zinc/29/39/55/333293955.db2.gz XSAMIOHFDJPFRU-UHFFFAOYSA-N 0 1 299.418 3.513 20 0 CHADMN C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000228727597 333296146 /nfs/dbraw/zinc/29/61/46/333296146.db2.gz KPZJKVLWODSZRM-DGCLKSJQSA-N 0 1 285.790 3.605 20 0 CHADMN C[C@@H](O)C[C@H]1CCCCN1Cc1ccc(Cl)c(F)c1 ZINC000228727597 333296148 /nfs/dbraw/zinc/29/61/48/333296148.db2.gz KPZJKVLWODSZRM-DGCLKSJQSA-N 0 1 285.790 3.605 20 0 CHADMN CC(C)(C)[C@H]1CCCN(C(=O)c2c(O)cccc2F)CC1 ZINC000228851129 333297765 /nfs/dbraw/zinc/29/77/65/333297765.db2.gz FPKQLYDWQQWSMY-LBPRGKRZSA-N 0 1 293.382 3.820 20 0 CHADMN CCCCN1C(=O)N=NC1SCc1c(C)cccc1C ZINC000523110972 333309636 /nfs/dbraw/zinc/30/96/36/333309636.db2.gz QJXZAXYRQNMDMJ-UHFFFAOYSA-N 0 1 291.420 3.693 20 0 CHADMN Cc1ccnc(NCCc2ccc(Cl)s2)c1 ZINC000230146706 333314773 /nfs/dbraw/zinc/31/47/73/333314773.db2.gz MBROGXWCEFASBW-UHFFFAOYSA-N 0 1 252.770 3.760 20 0 CHADMN C[C@H](CNCc1csc(C(C)(C)C)n1)c1nccs1 ZINC000230693566 333321062 /nfs/dbraw/zinc/32/10/62/333321062.db2.gz LGQCTKLUEWEIPW-SNVBAGLBSA-N 0 1 295.477 3.790 20 0 CHADMN Cc1ccccc1[C@H]1CCN([C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000523441313 333327239 /nfs/dbraw/zinc/32/72/39/333327239.db2.gz LKMSJESOUBPWHI-GJZGRUSLSA-N 0 1 289.419 3.515 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)CC(F)(F)F)c(F)c1 ZINC000231791266 333329698 /nfs/dbraw/zinc/32/96/98/333329698.db2.gz WGLKTQABXNHUBR-BDAKNGLRSA-N 0 1 279.277 3.826 20 0 CHADMN C[N@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)CC1CCC1 ZINC000523583180 333333432 /nfs/dbraw/zinc/33/34/32/333333432.db2.gz ZCFTVZWQWPVWPT-UHFFFAOYSA-N 0 1 298.217 3.873 20 0 CHADMN CCC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCCC2(CCCCC2)C1 ZINC000523594478 333333577 /nfs/dbraw/zinc/33/35/77/333333577.db2.gz QKTNZQXXCXQCDD-CVEARBPZSA-N 0 1 294.483 3.726 20 0 CHADMN CC[C@@H]1CCCN1Cc1cc(F)ccc1Br ZINC000523607488 333333825 /nfs/dbraw/zinc/33/38/25/333333825.db2.gz DFFDKGHIMLRHLT-GFCCVEGCSA-N 0 1 286.188 3.963 20 0 CHADMN CCC(=O)CCCN(C)Cc1ccc(Cl)s1 ZINC000232840839 333344116 /nfs/dbraw/zinc/34/41/16/333344116.db2.gz KPPPCDOWNCAINA-UHFFFAOYSA-N 0 1 259.802 3.593 20 0 CHADMN CC[C@@H](C)CN(C)Cc1csc(C(C)(C)C)n1 ZINC000303430334 333341706 /nfs/dbraw/zinc/34/17/06/333341706.db2.gz BWGTWFDITXAYOY-LLVKDONJSA-N 0 1 254.443 3.919 20 0 CHADMN CN(Cc1coc(-c2ccc(F)cc2)n1)CC(C)(C)C ZINC000524276913 333358781 /nfs/dbraw/zinc/35/87/81/333358781.db2.gz SHGGCASEXFVXRF-UHFFFAOYSA-N 0 1 276.355 3.959 20 0 CHADMN Cc1cccc([C@@H](C)N[C@@H](C)c2nccnc2C)c1 ZINC000235197814 333366691 /nfs/dbraw/zinc/36/66/91/333366691.db2.gz XGFSPBQYWNYJLX-OCCSQVGLSA-N 0 1 255.365 3.505 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2ccc(O)cc21)c1cccnc1 ZINC000235207457 333366849 /nfs/dbraw/zinc/36/68/49/333366849.db2.gz PBZQUHOKOJXMOS-SJKOYZFVSA-N 0 1 268.360 3.515 20 0 CHADMN C[C@@H](C(=O)OC(C)(C)C)N1CCC[C@]2(CC=CCC2)C1 ZINC000524596439 333367901 /nfs/dbraw/zinc/36/79/01/333367901.db2.gz CWXUXYDZZQYCTO-WMLDXEAASA-N 0 1 279.424 3.539 20 0 CHADMN CC[C@@H](NC[C@H](OC)c1ccccc1)c1nccs1 ZINC000338567064 335136990 /nfs/dbraw/zinc/13/69/90/335136990.db2.gz IJZOPRKUOWTDBI-KGLIPLIRSA-N 0 1 276.405 3.572 20 0 CHADMN CC(C)[C@H](NC(=O)c1n[nH]c2ccccc21)c1ccccc1 ZINC000315901800 333384422 /nfs/dbraw/zinc/38/44/22/333384422.db2.gz CRQLWIAQWCIZNV-INIZCTEOSA-N 0 1 293.370 3.690 20 0 CHADMN CCc1cnc(CN2CCC[C@@H]2Cc2cccc(F)c2)o1 ZINC000524753467 333386241 /nfs/dbraw/zinc/38/62/41/333386241.db2.gz HFSURGKGYOZBSW-OAHLLOKOSA-N 0 1 288.366 3.583 20 0 CHADMN Cc1ccc(-c2noc(CN3C[C@@H](C)CC[C@@H]3C)n2)cc1 ZINC000524753266 333386278 /nfs/dbraw/zinc/38/62/78/333386278.db2.gz DQXLBBMSOQWNEB-KBPBESRZSA-N 0 1 285.391 3.665 20 0 CHADMN CC(C)C[C@H]1CCCCCN1C(=O)c1cccc2n[nH]cc21 ZINC000524848399 333390607 /nfs/dbraw/zinc/39/06/07/333390607.db2.gz VKJZIXRDZORJGG-CQSZACIVSA-N 0 1 299.418 3.994 20 0 CHADMN CO[C@@H](C)CN(Cc1ccc(F)cc1Cl)C(C)C ZINC000524893182 333392399 /nfs/dbraw/zinc/39/23/99/333392399.db2.gz FMMMMIHRIMCSES-NSHDSACASA-N 0 1 273.779 3.724 20 0 CHADMN CC(C)=CCCNCc1csc(C(C)(C)C)n1 ZINC000397690654 333398426 /nfs/dbraw/zinc/39/84/26/333398426.db2.gz AIHZBDYPCHADTG-UHFFFAOYSA-N 0 1 252.427 3.887 20 0 CHADMN CN(Cc1ncc(-c2ccccc2F)o1)CC(C)(C)C ZINC000525120010 333399087 /nfs/dbraw/zinc/39/90/87/333399087.db2.gz KVRWNPRSJHEMOI-UHFFFAOYSA-N 0 1 276.355 3.959 20 0 CHADMN Cc1noc([C@H](C)N[C@@H](C)[C@@H](C)C2CCCCC2)n1 ZINC000525995659 333417941 /nfs/dbraw/zinc/41/79/41/333417941.db2.gz DSIUUBMLQWYDBU-WOPDTQHZSA-N 0 1 265.401 3.634 20 0 CHADMN CCC1(CC)CCC[N@@H+](CCCCCC(=O)[O-])CC1 ZINC000575995303 335139688 /nfs/dbraw/zinc/13/96/88/335139688.db2.gz KKPZYALIICZNCK-UHFFFAOYSA-N 0 1 269.429 3.924 20 0 CHADMN C/C(Cl)=C/CN[C@@H](C)c1ccc(Br)cn1 ZINC000528491493 333441521 /nfs/dbraw/zinc/44/15/21/333441521.db2.gz XEIPJPREORDKQR-RDOCRHDPSA-N 0 1 289.604 3.637 20 0 CHADMN CCO[C@H]1C[C@H](NCc2ncccc2Cl)C12CCCC2 ZINC000528502195 333441790 /nfs/dbraw/zinc/44/17/90/333441790.db2.gz GQEVGXNCQRNRAD-GJZGRUSLSA-N 0 1 294.826 3.562 20 0 CHADMN CCc1cccc(OCCN[C@@H](C)c2ncccc2F)c1 ZINC000528824550 333460515 /nfs/dbraw/zinc/46/05/15/333460515.db2.gz MGDMYJYDXXVNBH-ZDUSSCGKSA-N 0 1 288.366 3.513 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@H]1CCCC12CC2 ZINC000529052039 333470344 /nfs/dbraw/zinc/47/03/44/333470344.db2.gz CSYVAKTYBIVSDR-SECBINFHSA-N 0 1 283.730 3.704 20 0 CHADMN [O-]c1cccc(C[NH2+]CCC2CCCC2)c1Cl ZINC000328230664 333480464 /nfs/dbraw/zinc/48/04/64/333480464.db2.gz OAQVTWCAYOUYEE-UHFFFAOYSA-N 0 1 253.773 3.716 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@@H]1CCCC12CC2 ZINC000529381343 333483962 /nfs/dbraw/zinc/48/39/62/333483962.db2.gz FBQKMVQBMWNKFD-QMMMGPOBSA-N 0 1 283.730 3.704 20 0 CHADMN Cc1ccc(CN2CCC(Oc3cccc(F)c3)CC2)o1 ZINC000529636678 333502496 /nfs/dbraw/zinc/50/24/96/333502496.db2.gz GRVCSUKYMGCWIG-UHFFFAOYSA-N 0 1 289.350 3.771 20 0 CHADMN CS[C@H]1CCC[C@@H]([NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000328315218 333516799 /nfs/dbraw/zinc/51/67/99/333516799.db2.gz CEOZZLXQPTUARW-NEPJUHHUSA-N 0 1 285.840 3.809 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccc1F)c1ccc2c(c1)OCO2 ZINC000037508343 333534787 /nfs/dbraw/zinc/53/47/87/333534787.db2.gz OVKHUEHSUXMQBX-NEPJUHHUSA-N 0 1 287.334 3.966 20 0 CHADMN CC(C)CC[C@](C)(O)CNCc1csc(C(C)(C)C)n1 ZINC000124028007 333555428 /nfs/dbraw/zinc/55/54/28/333555428.db2.gz BTWRNDHBBZBXHE-INIZCTEOSA-N 0 1 298.496 3.717 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccoc2)cc1OC(F)F ZINC000125633993 333568645 /nfs/dbraw/zinc/56/86/45/333568645.db2.gz VURXOIHKAIMVPX-SNVBAGLBSA-N 0 1 297.301 3.740 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCCCc2ccccc21 ZINC000125745607 333571826 /nfs/dbraw/zinc/57/18/26/333571826.db2.gz MOOQVGRPQJPBOP-UHFFFAOYSA-N 0 1 285.318 3.514 20 0 CHADMN CCSc1ccc([C@@H](C)NCc2ccc(CO)o2)cc1 ZINC000174346707 335152995 /nfs/dbraw/zinc/15/29/95/335152995.db2.gz XDUAPTYHYGAXJJ-GFCCVEGCSA-N 0 1 291.416 3.735 20 0 CHADMN COC(=O)c1coc([C@@H](C)N[C@H]2CCc3c2cccc3C)c1 ZINC000576101131 335153733 /nfs/dbraw/zinc/15/37/33/335153733.db2.gz NLMCTBAWAVJHCV-WBMJQRKESA-N 0 1 299.370 3.713 20 0 CHADMN COc1ccc(C(C)(C)CN[C@H](C)c2ncc(C)o2)cc1 ZINC000539977353 333705369 /nfs/dbraw/zinc/70/53/69/333705369.db2.gz OHOQRFIITGLVQB-CYBMUJFWSA-N 0 1 288.391 3.620 20 0 CHADMN C[C@@H](N[C@@H](CO)c1cccc(F)c1)c1cccc(Cl)c1 ZINC000540183347 333718620 /nfs/dbraw/zinc/71/86/20/333718620.db2.gz RFFLWVTWUAVZFR-BZNIZROVSA-N 0 1 293.769 3.863 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](CO)c2cccc(F)c2)cc1 ZINC000540186596 333719208 /nfs/dbraw/zinc/71/92/08/333719208.db2.gz ZUKKTNVQJQWZOK-SCLBCKFNSA-N 0 1 287.378 3.772 20 0 CHADMN c1ccc2sc(C3CN([C@@H]4C=CCCC4)C3)nc2c1 ZINC000540240905 333722512 /nfs/dbraw/zinc/72/25/12/333722512.db2.gz NAFMARUPFXPTSC-CYBMUJFWSA-N 0 1 270.401 3.804 20 0 CHADMN Cc1oncc1CN[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000129690196 333788104 /nfs/dbraw/zinc/78/81/04/333788104.db2.gz YWYICYGXWROBME-VIFPVBQESA-N 0 1 284.281 3.853 20 0 CHADMN CCSc1ccc([C@@H](C)NCc2cnoc2C)cc1 ZINC000129838663 333795996 /nfs/dbraw/zinc/79/59/96/333795996.db2.gz YNGBTISQNHJELZ-LLVKDONJSA-N 0 1 276.405 3.946 20 0 CHADMN C[C@@H]1CC[C@H](NC(=O)c2ccc(O)c(Cl)c2)[C@H](C)C1 ZINC000070115745 333799386 /nfs/dbraw/zinc/79/93/86/333799386.db2.gz OYXPWZKDWZDAKL-BREBYQMCSA-N 0 1 281.783 3.600 20 0 CHADMN C[C@@H]1CN(C(=O)c2ccc(Cl)cc2O)c2ccccc21 ZINC000130000974 333805861 /nfs/dbraw/zinc/80/58/61/333805861.db2.gz IJLSNPZUMOBILS-SNVBAGLBSA-N 0 1 287.746 3.810 20 0 CHADMN Fc1ccc([C@@H](NC[C@H]2CC=CCC2)c2cnccn2)cc1 ZINC000542477018 333826772 /nfs/dbraw/zinc/82/67/72/333826772.db2.gz BBHXXGCFQDTWNN-KBXCAEBGSA-N 0 1 297.377 3.651 20 0 CHADMN CC1(C)CC[C@H](N[C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000542494411 333827957 /nfs/dbraw/zinc/82/79/57/333827957.db2.gz NHRRWLXHNFGVEE-RDJZCZTQSA-N 0 1 299.393 3.873 20 0 CHADMN Cc1cnc(C(C)(C)NCCO[C@@H]2CCCC[C@H]2C)s1 ZINC000542580225 333833089 /nfs/dbraw/zinc/83/30/89/333833089.db2.gz JUOLXBXOBQMDJB-TZMCWYRMSA-N 0 1 296.480 3.872 20 0 CHADMN CC[C@H](NCc1c(C)cc(C)cc1C)c1ccn(C)n1 ZINC000542667519 333835227 /nfs/dbraw/zinc/83/52/27/333835227.db2.gz PWYYGHMYWMFGPD-INIZCTEOSA-N 0 1 271.408 3.586 20 0 CHADMN Cc1ccc([O-])c(C[NH2+]C2(Cc3ccccc3)CCCC2)n1 ZINC000542708518 333838133 /nfs/dbraw/zinc/83/81/33/333838133.db2.gz BPLLXDQXRFWTGA-UHFFFAOYSA-N 0 1 296.414 3.741 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(F)cc1)CO2 ZINC000130816926 333877716 /nfs/dbraw/zinc/87/77/16/333877716.db2.gz LPANUDZLNWWJNA-MLGOLLRUSA-N 0 1 271.335 3.918 20 0 CHADMN CCc1cnc(CN[C@H](C)[C@@H](C)C2CCCCC2)o1 ZINC000544424803 333931046 /nfs/dbraw/zinc/93/10/46/333931046.db2.gz KVTRTTOTOKARMU-CHWSQXEVSA-N 0 1 264.413 3.932 20 0 CHADMN COC[C@@H](NCCOC1CCCCCC1)c1ccc(C)o1 ZINC000544450465 333931820 /nfs/dbraw/zinc/93/18/20/333931820.db2.gz ABYUWFRGJMWZCQ-MRXNPFEDSA-N 0 1 295.423 3.605 20 0 CHADMN CC[C@H](N[C@H]1c2ccccc2CC[C@@H]1C)c1ccn(C)n1 ZINC000544572536 333936733 /nfs/dbraw/zinc/93/67/33/333936733.db2.gz FBCWQNQQWVMRDZ-QANKJYHBSA-N 0 1 283.419 3.784 20 0 CHADMN COc1ccc(C[C@H](C)CNc2cccc(C)n2)cc1F ZINC000545010187 333958100 /nfs/dbraw/zinc/95/81/00/333958100.db2.gz APGGUWYRJAKRAJ-LBPRGKRZSA-N 0 1 288.366 3.828 20 0 CHADMN Cc1oc2ccccc2c1CNCc1ccc(C)cn1 ZINC000341546944 335169917 /nfs/dbraw/zinc/16/99/17/335169917.db2.gz NITYBVWPYWSKGE-UHFFFAOYSA-N 0 1 266.344 3.734 20 0 CHADMN CC[C@@H](C)CN[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000545860535 334003134 /nfs/dbraw/zinc/00/31/34/334003134.db2.gz QVNHUKDIMURUKG-WBMJQRKESA-N 0 1 291.826 3.799 20 0 CHADMN C[C@H](Cc1ccccc1)CN1CCO[C@H](c2ccco2)C1 ZINC000132723917 334003696 /nfs/dbraw/zinc/00/36/96/334003696.db2.gz ZWGAIVLGCAOADB-QAPCUYQASA-N 0 1 285.387 3.532 20 0 CHADMN CCn1ccnc1CN[C@H]1c2ccccc2CC[C@@H]1C(C)C ZINC000545904067 334005237 /nfs/dbraw/zinc/00/52/37/334005237.db2.gz HBFKKJFRETYFNJ-VQIMIIECSA-N 0 1 297.446 3.952 20 0 CHADMN CCC[N@@H+](Cc1ccccc1)Cc1ccc(C)cn1 ZINC000132865589 334008231 /nfs/dbraw/zinc/00/82/31/334008231.db2.gz OVXVVWRQVHCNMX-UHFFFAOYSA-N 0 1 254.377 3.802 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@H]1CCc3ccccc31)CO2 ZINC000545942680 334008242 /nfs/dbraw/zinc/00/82/42/334008242.db2.gz FSLIWYMRUWDSAJ-JKSUJKDBSA-N 0 1 269.319 3.536 20 0 CHADMN Cc1ccc2[nH]c(CN[C@@H]3CCCc4c[nH]nc43)cc2c1C ZINC000546021940 334013074 /nfs/dbraw/zinc/01/30/74/334013074.db2.gz KACSCPLXLOLQGD-QGZVFWFLSA-N 0 1 294.402 3.675 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)N2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC000074991559 334022125 /nfs/dbraw/zinc/02/21/25/334022125.db2.gz XFWCTQKGRRPZLS-YUELXQCFSA-N 0 1 297.402 3.694 20 0 CHADMN CCN(CCC1CC1)Cc1cc(F)c(F)cc1F ZINC000546266543 334024096 /nfs/dbraw/zinc/02/40/96/334024096.db2.gz ZQEIMPZVMUJNLC-UHFFFAOYSA-N 0 1 257.299 3.726 20 0 CHADMN CCCCCc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000546435487 334032490 /nfs/dbraw/zinc/03/24/90/334032490.db2.gz XBFZGQULISZOST-UHFFFAOYSA-N 0 1 270.336 3.654 20 0 CHADMN CC(C)c1ccc(C[C@H]2CCN(Cc3ccon3)C2)cc1 ZINC000546596851 334039246 /nfs/dbraw/zinc/03/92/46/334039246.db2.gz QPXXXXGPFWVHJF-MRXNPFEDSA-N 0 1 284.403 3.863 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2NCc1ccc(F)cc1F ZINC000133387493 334039663 /nfs/dbraw/zinc/03/96/63/334039663.db2.gz YRYLVMRLYVIBES-INIZCTEOSA-N 0 1 277.289 3.881 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@H]1CCc2ccc(F)cc21 ZINC000546626502 334041639 /nfs/dbraw/zinc/04/16/39/334041639.db2.gz XCVFHHPAHFGZIU-KRWDZBQOSA-N 0 1 287.382 3.689 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@@H]1CCc2ccc(F)cc21 ZINC000546626503 334041708 /nfs/dbraw/zinc/04/17/08/334041708.db2.gz XCVFHHPAHFGZIU-QGZVFWFLSA-N 0 1 287.382 3.689 20 0 CHADMN CCCC[C@@H](COC)NCc1nc(C(C)(C)C)cs1 ZINC000133547865 334044504 /nfs/dbraw/zinc/04/45/04/334044504.db2.gz NQXRLNUSBOTVAW-LBPRGKRZSA-N 0 1 284.469 3.735 20 0 CHADMN CCCCc1noc(CN[C@@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000133588436 334046533 /nfs/dbraw/zinc/04/65/33/334046533.db2.gz AMOSJVWTWSFTMZ-HZPDHXFCSA-N 0 1 299.418 3.838 20 0 CHADMN CCCCc1noc(CN[C@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000133588646 334046680 /nfs/dbraw/zinc/04/66/80/334046680.db2.gz AMOSJVWTWSFTMZ-CVEARBPZSA-N 0 1 299.418 3.838 20 0 CHADMN CC(C)N(Cc1ncc(-c2ccc(F)cc2)o1)C1CC1 ZINC000075610107 334046781 /nfs/dbraw/zinc/04/67/81/334046781.db2.gz RWCPGONNHJKGDO-UHFFFAOYSA-N 0 1 274.339 3.854 20 0 CHADMN CC(C)CN(CC(=O)Nc1cc(Cl)ccc1F)C1CC1 ZINC000075610862 334046927 /nfs/dbraw/zinc/04/69/27/334046927.db2.gz AFLWQQSBRMMCPT-UHFFFAOYSA-N 0 1 298.789 3.538 20 0 CHADMN CC(C)Cc1noc(CN[C@@H]2CCC[C@H]2c2ccccc2)n1 ZINC000133659108 334049049 /nfs/dbraw/zinc/04/90/49/334049049.db2.gz KPPOMLKEKGLOON-JKSUJKDBSA-N 0 1 299.418 3.694 20 0 CHADMN CC[C@H]1CC[C@@H](c2nc(-c3cc4nc[nH]c4c(C)c3)no2)O1 ZINC000547137395 334068648 /nfs/dbraw/zinc/06/86/48/334068648.db2.gz IPAYPMFWZNDCKN-AAEUAGOBSA-N 0 1 298.346 3.551 20 0 CHADMN C[C@@H]1CC[C@H](Cc2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000547144382 334069036 /nfs/dbraw/zinc/06/90/36/334069036.db2.gz JLKHSEOLYAEODJ-MNOVXSKESA-N 0 1 282.347 3.592 20 0 CHADMN CCOc1cc(CN[C@H](C)c2ccoc2)ccc1OC ZINC000134000876 334077056 /nfs/dbraw/zinc/07/70/56/334077056.db2.gz PKJTVJQSVRYXKQ-GFCCVEGCSA-N 0 1 275.348 3.538 20 0 CHADMN C[C@H](NC1(C2CC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000547352850 334082348 /nfs/dbraw/zinc/08/23/48/334082348.db2.gz DFSNOVVCGLXKRL-ZETCQYMHSA-N 0 1 276.327 3.755 20 0 CHADMN Oc1ccc(CNCc2ccc(CSC(F)F)o2)cc1 ZINC000134234396 334085058 /nfs/dbraw/zinc/08/50/58/334085058.db2.gz XTWMEABSBFDYGI-UHFFFAOYSA-N 0 1 299.342 3.731 20 0 CHADMN CC(C)c1nnc(CN2C[C@H](c3ccccc3)C(C)(C)C2)o1 ZINC000134265580 334086101 /nfs/dbraw/zinc/08/61/01/334086101.db2.gz SZMIFYODRCNRTO-OAHLLOKOSA-N 0 1 299.418 3.819 20 0 CHADMN Cc1ccc(CNC2(c3ccccc3F)CC2)cc1 ZINC000076766898 334088608 /nfs/dbraw/zinc/08/86/08/334088608.db2.gz TZJWCQPKXSGVSX-UHFFFAOYSA-N 0 1 255.336 3.913 20 0 CHADMN C[C@@H](Cc1ccccc1)C(=O)Nc1cccc(Cl)c1O ZINC000077011155 334093545 /nfs/dbraw/zinc/09/35/45/334093545.db2.gz UPBAOKOTIKKHTJ-NSHDSACASA-N 0 1 289.762 3.863 20 0 CHADMN COCC[C@H](NCc1ccc(F)cc1C)c1ccco1 ZINC000547507554 334096061 /nfs/dbraw/zinc/09/60/61/334096061.db2.gz BBZUYBOGYJAPIW-HNNXBMFYSA-N 0 1 277.339 3.595 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2nc3c(s2)CCC3)c1 ZINC000134702506 334101183 /nfs/dbraw/zinc/10/11/83/334101183.db2.gz LKDOLNUVGKZYKE-LBPRGKRZSA-N 0 1 272.417 3.791 20 0 CHADMN CN(Cc1csc(-c2ccccc2F)n1)CC1CC1 ZINC000077375468 334103949 /nfs/dbraw/zinc/10/39/49/334103949.db2.gz SMLDGHRCSNHVQP-UHFFFAOYSA-N 0 1 276.380 3.791 20 0 CHADMN CC[C@H](NCc1occc1C)c1ccccc1OC ZINC000135146044 334117836 /nfs/dbraw/zinc/11/78/36/334117836.db2.gz LCXFSRKZGDLGFQ-AWEZNQCLSA-N 0 1 259.349 3.838 20 0 CHADMN COc1nc2ccccc2cc1CNC[C@H](C)C(F)(F)F ZINC000547822993 334123149 /nfs/dbraw/zinc/12/31/49/334123149.db2.gz CIQXAIPZPLXJEK-JTQLQIEISA-N 0 1 298.308 3.531 20 0 CHADMN CN(CCC1CC1)Cc1ncc(-c2cccs2)o1 ZINC000135293953 334124019 /nfs/dbraw/zinc/12/40/19/334124019.db2.gz WWBLCOLWXHMVHJ-UHFFFAOYSA-N 0 1 262.378 3.635 20 0 CHADMN C[C@H](C(=O)Nc1cc(Cl)ccc1F)N(C)CCC1CC1 ZINC000135299715 334124757 /nfs/dbraw/zinc/12/47/57/334124757.db2.gz ZDWLOJYJPDHXGJ-SNVBAGLBSA-N 0 1 298.789 3.538 20 0 CHADMN CC(C)C[C@H]1CCN(Cc2csc(C3CC3)n2)C1 ZINC000135659175 334135368 /nfs/dbraw/zinc/13/53/68/334135368.db2.gz UQVRMAICDNQGDI-GFCCVEGCSA-N 0 1 264.438 3.889 20 0 CHADMN CC(C)C[C@@H]1CCN(Cc2csc(C3CC3)n2)C1 ZINC000135659150 334135426 /nfs/dbraw/zinc/13/54/26/334135426.db2.gz UQVRMAICDNQGDI-LBPRGKRZSA-N 0 1 264.438 3.889 20 0 CHADMN C[C@H]1CCC[C@H](CCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000078831563 334141184 /nfs/dbraw/zinc/14/11/84/334141184.db2.gz DFSMZGNEALPYKN-QWHCGFSZSA-N 0 1 285.391 3.509 20 0 CHADMN Cc1ccc(-c2cc(CN3[C@H](C)C[C@@H]3C)on2)cc1 ZINC000548426467 334155695 /nfs/dbraw/zinc/15/56/95/334155695.db2.gz VNGHQKFYSFPODJ-BETUJISGSA-N 0 1 256.349 3.633 20 0 CHADMN CCC(C)(C)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000548427297 334155939 /nfs/dbraw/zinc/15/59/39/334155939.db2.gz UKZSDCBPVVHJJN-UHFFFAOYSA-N 0 1 273.380 3.665 20 0 CHADMN COc1ccccc1CCCOc1cc(C)nc(C)c1 ZINC000548469841 334158492 /nfs/dbraw/zinc/15/84/92/334158492.db2.gz AMGCWMHHYUOPCD-UHFFFAOYSA-N 0 1 271.360 3.719 20 0 CHADMN C[C@H]1c2c(F)cccc2CCN1C[C@@H]1CCC(C)(C)O1 ZINC000548485172 334159574 /nfs/dbraw/zinc/15/95/74/334159574.db2.gz UFMWUOVJEJZLQR-JSGCOSHPSA-N 0 1 277.383 3.702 20 0 CHADMN Cc1cc(Cl)ccc1CN(C)[C@@H](C)c1cnn(C)c1 ZINC000136732925 334162708 /nfs/dbraw/zinc/16/27/08/334162708.db2.gz SVQJRPNIXHDHFK-LBPRGKRZSA-N 0 1 277.799 3.575 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C2(C)CCCCC2)c1 ZINC000548703039 334166519 /nfs/dbraw/zinc/16/65/19/334166519.db2.gz FKEUMHVCJGLVKK-UHFFFAOYSA-N 0 1 275.348 3.504 20 0 CHADMN Fc1cccc2c1CN(C[C@H]1CCC3(CCCC3)O1)CC2 ZINC000548917456 334180387 /nfs/dbraw/zinc/18/03/87/334180387.db2.gz VSUDAHHXYVWMFJ-OAHLLOKOSA-N 0 1 289.394 3.676 20 0 CHADMN COC(C)(C)CCN1CC[C@](F)(c2ccccc2F)C1 ZINC000549079672 334184909 /nfs/dbraw/zinc/18/49/09/334184909.db2.gz HRRGMILDEUQPNC-MRXNPFEDSA-N 0 1 283.362 3.511 20 0 CHADMN CCc1ccc(CN(C)[C@@H](C)c2ccc(OC)cc2)nc1 ZINC000549343035 334190593 /nfs/dbraw/zinc/19/05/93/334190593.db2.gz VVOGJKYXOVCSFX-AWEZNQCLSA-N 0 1 284.403 3.846 20 0 CHADMN CCN(Cc1nc([C@H](C)OCC(C)C)no1)[C@H](C)C(C)C ZINC000245499745 334198098 /nfs/dbraw/zinc/19/80/98/334198098.db2.gz YTESCSKBGKWCBS-KGLIPLIRSA-N 0 1 297.443 3.670 20 0 CHADMN Fc1ccc([C@H]2CN(C[C@@H]3CC=CCC3)CCO2)cc1 ZINC000245514569 334199273 /nfs/dbraw/zinc/19/92/73/334199273.db2.gz GCIDKMFCCZRXQG-RHSMWYFYSA-N 0 1 275.367 3.555 20 0 CHADMN CC[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)C[C@@H](C)O1 ZINC000245560693 334203933 /nfs/dbraw/zinc/20/39/33/334203933.db2.gz NADLDSJUXYQNEQ-DNVCBOLYSA-N 0 1 296.414 3.748 20 0 CHADMN CCCCN(Cc1ncnn1CCC)[C@H]1CCC[C@H](C)C1 ZINC000549999723 334211289 /nfs/dbraw/zinc/21/12/89/334211289.db2.gz ANWVTSVOZDPVGM-HOTGVXAUSA-N 0 1 292.471 3.869 20 0 CHADMN Cc1sccc1CN[C@H]1COc2ccc(C)cc21 ZINC000550175008 334215109 /nfs/dbraw/zinc/21/51/09/334215109.db2.gz OTCCTMPUVAKTAB-AWEZNQCLSA-N 0 1 259.374 3.588 20 0 CHADMN Cc1sccc1CN[C@@H]1COc2ccc(C)cc21 ZINC000550175014 334215137 /nfs/dbraw/zinc/21/51/37/334215137.db2.gz OTCCTMPUVAKTAB-CQSZACIVSA-N 0 1 259.374 3.588 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1ccc(Cl)c2cccnc12 ZINC000550312503 334219755 /nfs/dbraw/zinc/21/97/55/334219755.db2.gz ZGPLCVURQCILKX-WDEREUQCSA-N 0 1 260.768 3.728 20 0 CHADMN c1nc(C2CC2)sc1CNc1cc2c(cn1)CCC2 ZINC000550310201 334219922 /nfs/dbraw/zinc/21/99/22/334219922.db2.gz LUZMNAJQJQWGGJ-UHFFFAOYSA-N 0 1 271.389 3.516 20 0 CHADMN c1cc(CN2CCc3ccccc3[C@@H]2c2ccccc2)on1 ZINC000550344295 334220597 /nfs/dbraw/zinc/22/05/97/334220597.db2.gz BKQIUPKXZQUWRM-IBGZPJMESA-N 0 1 290.366 3.822 20 0 CHADMN COc1ccc(CN2C[C@@H](C)[C@@H]2c2ccccc2)cc1OC ZINC000245810867 334220620 /nfs/dbraw/zinc/22/06/20/334220620.db2.gz ZJAHJHCISQMVDF-AUUYWEPGSA-N 0 1 297.398 3.897 20 0 CHADMN CC(C)[C@]1(CO)CCCN([C@H](C)c2cc(F)ccc2F)C1 ZINC000550430901 334222123 /nfs/dbraw/zinc/22/21/23/334222123.db2.gz DEFSYRXFJYZBAN-CXAGYDPISA-N 0 1 297.389 3.756 20 0 CHADMN C[C@@H](c1cc(Cl)ccc1Cl)N1CC[C@](C)(O)C1 ZINC000246626190 334265710 /nfs/dbraw/zinc/26/57/10/334265710.db2.gz ISRFBWBMXBKSOQ-ZANVPECISA-N 0 1 274.191 3.511 20 0 CHADMN CC1=CC[C@H](NCc2c(F)cc(F)c(F)c2F)CC1 ZINC000550903647 334233057 /nfs/dbraw/zinc/23/30/57/334233057.db2.gz DDHCWRZMHSUZJW-VIFPVBQESA-N 0 1 273.273 3.831 20 0 CHADMN CC[C@@H](NCc1ncn(-c2ccccc2)n1)C1CCCCC1 ZINC000550928143 334233783 /nfs/dbraw/zinc/23/37/83/334233783.db2.gz JDLMXWCHMDVABW-QGZVFWFLSA-N 0 1 298.434 3.716 20 0 CHADMN C[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)C[C@H](c2ccccc2)O1 ZINC000551088728 334238261 /nfs/dbraw/zinc/23/82/61/334238261.db2.gz FUVLZDOLLAWBBX-IIAWOOMASA-N 0 1 295.373 3.884 20 0 CHADMN Cc1cc([C@@H](C)NCCCCC2CCCC2)no1 ZINC000551286499 334245107 /nfs/dbraw/zinc/24/51/07/334245107.db2.gz PHHGEQMOSJGQTR-CYBMUJFWSA-N 0 1 250.386 3.994 20 0 CHADMN Cc1cc([C@H](C)NCCCCC2CCCC2)no1 ZINC000551286500 334245109 /nfs/dbraw/zinc/24/51/09/334245109.db2.gz PHHGEQMOSJGQTR-ZDUSSCGKSA-N 0 1 250.386 3.994 20 0 CHADMN COc1ccccc1[C@H](N[C@@H]1CCO[C@@H]1C)c1ccccc1 ZINC000246280231 334248283 /nfs/dbraw/zinc/24/82/83/334248283.db2.gz BMFGEMHBBUMWIW-LSBZLQRGSA-N 0 1 297.398 3.552 20 0 CHADMN CCC1CC(Nc2ccccc2CN2CCSCC2)C1 ZINC000551530661 334252850 /nfs/dbraw/zinc/25/28/50/334252850.db2.gz VPRQXPVRRZNXLU-UHFFFAOYSA-N 0 1 290.476 3.836 20 0 CHADMN Cc1ccc2nc(CN[C@H]3CCc4c3cccc4C)cn2c1 ZINC000551538478 334253557 /nfs/dbraw/zinc/25/35/57/334253557.db2.gz WNUDIIHDSAHJNC-SFHVURJKSA-N 0 1 291.398 3.728 20 0 CHADMN Cc1sccc1CN1CCO[C@](C)(c2ccccc2)C1 ZINC000551961081 334268049 /nfs/dbraw/zinc/26/80/49/334268049.db2.gz DVAKLINORFNGGO-KRWDZBQOSA-N 0 1 287.428 3.804 20 0 CHADMN CCCCc1noc([C@H](C)N[C@H]2CCCC[C@H]2C)n1 ZINC000246908434 334271674 /nfs/dbraw/zinc/27/16/74/334271674.db2.gz FYKURJYTCRGEJN-AGIUHOORSA-N 0 1 265.401 3.642 20 0 CHADMN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(C)C ZINC000552041049 334280066 /nfs/dbraw/zinc/28/00/66/334280066.db2.gz HYKAQZZIZZYYPF-UHFFFAOYSA-N 0 1 293.798 3.609 20 0 CHADMN CC(C)CCOCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000552047137 334281368 /nfs/dbraw/zinc/28/13/68/334281368.db2.gz AYVQJJFCEMHVTK-MRXNPFEDSA-N 0 1 293.455 3.683 20 0 CHADMN CC(C)[C@@H]1N(Cc2cnc(C(C)(C)C)nc2)CC1(C)C ZINC000552072389 334285979 /nfs/dbraw/zinc/28/59/79/334285979.db2.gz HGSYZKUUFQNOJN-AWEZNQCLSA-N 0 1 275.440 3.641 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H](C)[C@H]1C)c1nc(C(C)(C)C)no1 ZINC000248092708 334294707 /nfs/dbraw/zinc/29/47/07/334294707.db2.gz LVTHTPDMGMKUGV-FVCCEPFGSA-N 0 1 279.428 3.842 20 0 CHADMN Cc1ccccc1CN1CCO[C@@H](c2ccccc2)C1 ZINC000248143954 334295920 /nfs/dbraw/zinc/29/59/20/334295920.db2.gz GXJZNGKNPAVWNM-GOSISDBHSA-N 0 1 267.372 3.569 20 0 CHADMN CC(C)Cn1cc(CN2C[C@H](C)[C@@H]2c2ccccc2)cn1 ZINC000248384950 334299590 /nfs/dbraw/zinc/29/95/90/334299590.db2.gz GOVWAQKOQPULEI-MAUKXSAKSA-N 0 1 283.419 3.732 20 0 CHADMN CCCC[C@@H]1CCC[C@@H]1N[C@H](C)c1nc(CC)no1 ZINC000248397446 334300136 /nfs/dbraw/zinc/30/01/36/334300136.db2.gz LSERXBALEHBVKK-UPJWGTAASA-N 0 1 265.401 3.642 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)CCO[C@H]1CCCCO1 ZINC000248506086 334304366 /nfs/dbraw/zinc/30/43/66/334304366.db2.gz WOYFFKXXJADKLX-BBRMVZONSA-N 0 1 297.826 3.876 20 0 CHADMN CC[C@H](N[C@H](C)c1ncc(C(C)(C)C)o1)[C@@H]1CCCO1 ZINC000248609972 334308902 /nfs/dbraw/zinc/30/89/02/334308902.db2.gz QCOQWIRIGXOOFS-AGIUHOORSA-N 0 1 280.412 3.580 20 0 CHADMN Oc1cc(Cl)ccc1-c1nc([C@@H]2Cc3ccccc32)no1 ZINC000086492395 334310329 /nfs/dbraw/zinc/31/03/29/334310329.db2.gz ROWCOOLVKUEPCQ-CYBMUJFWSA-N 0 1 298.729 3.784 20 0 CHADMN Cc1cncc(CN2CC[C@H](C)C[C@H]2c2ccco2)c1 ZINC000248907401 334321553 /nfs/dbraw/zinc/32/15/53/334321553.db2.gz IEWBIRQIGFJDLF-BBRMVZONSA-N 0 1 270.376 3.956 20 0 CHADMN CC1(C)CCc2cc(CN3CCC[C@H]3CF)ccc2O1 ZINC000552391156 334322909 /nfs/dbraw/zinc/32/29/09/334322909.db2.gz XTUCOGSMEARYGX-HNNXBMFYSA-N 0 1 277.383 3.724 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCSC[C@H](C)C1 ZINC000249027664 334325178 /nfs/dbraw/zinc/32/51/78/334325178.db2.gz LRANGJSLVTWLJS-GHMZBOCLSA-N 0 1 271.376 3.711 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@]2(C)CCCC[C@H]2O)cs1 ZINC000249051131 334325778 /nfs/dbraw/zinc/32/57/78/334325778.db2.gz WTWSORCCWNLMTA-BJJXKVORSA-N 0 1 296.480 3.858 20 0 CHADMN COC[C@@H](C)C[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000249277012 334330914 /nfs/dbraw/zinc/33/09/14/334330914.db2.gz MHGOHHDRKCCKFS-WCQYABFASA-N 0 1 284.469 3.850 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](OCCOC)C1 ZINC000249340160 334332365 /nfs/dbraw/zinc/33/23/65/334332365.db2.gz IVXFTTRONGRRJO-CVEARBPZSA-N 0 1 297.826 3.528 20 0 CHADMN CCC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@H]1c1cccs1 ZINC000249349911 334332384 /nfs/dbraw/zinc/33/23/84/334332384.db2.gz WIGGBJBAMQJKMQ-MJBXVCDLSA-N 0 1 294.464 3.578 20 0 CHADMN CC[C@@]1(CO)CCCN([C@H](C)c2c(F)cccc2F)C1 ZINC000249563185 334336669 /nfs/dbraw/zinc/33/66/69/334336669.db2.gz MHAHJMOAABKLQW-MLGOLLRUSA-N 0 1 283.362 3.510 20 0 CHADMN CC[C@H](C)C(=O)CSc1n[nH]c(CCC2CCCC2)n1 ZINC000089679955 334348765 /nfs/dbraw/zinc/34/87/65/334348765.db2.gz ZOHAWDJEHRBMGG-NSHDSACASA-N 0 1 295.452 3.635 20 0 CHADMN CC[C@H](C)C(=O)CSc1nc(CCC2CCCC2)n[nH]1 ZINC000089679955 334348766 /nfs/dbraw/zinc/34/87/66/334348766.db2.gz ZOHAWDJEHRBMGG-NSHDSACASA-N 0 1 295.452 3.635 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1scnc1C1CC1 ZINC000089825989 334351720 /nfs/dbraw/zinc/35/17/20/334351720.db2.gz FQENJAYXBAPAKQ-UHFFFAOYSA-N 0 1 294.763 3.632 20 0 CHADMN CC(C)[N@@H+](Cc1c2ccccc2sc1C(=O)[O-])C1CC1 ZINC000572532773 334351908 /nfs/dbraw/zinc/35/19/08/334351908.db2.gz CYZGETUMVYVCSM-UHFFFAOYSA-N 0 1 289.400 3.972 20 0 CHADMN C[C@@H]1CCC[C@@H](NCc2noc(-c3cccs3)n2)[C@H]1C ZINC000552979753 334354333 /nfs/dbraw/zinc/35/43/33/334354333.db2.gz XZMIZTZECHOLGS-GRYCIOLGSA-N 0 1 291.420 3.712 20 0 CHADMN c1sc2ccccc2c1CN1CCOC[C@@H]1C1CC1 ZINC000090010103 334355516 /nfs/dbraw/zinc/35/55/16/334355516.db2.gz ZSCNJUCURGNMQT-OAHLLOKOSA-N 0 1 273.401 3.512 20 0 CHADMN Cc1ccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1C ZINC000251157940 334357428 /nfs/dbraw/zinc/35/74/28/334357428.db2.gz ISVLIXJPCPXTMK-IKGGRYGDSA-N 0 1 287.403 3.521 20 0 CHADMN Cc1cccnc1CNC1(c2ccc(Cl)cc2)CC1 ZINC000553337941 334378689 /nfs/dbraw/zinc/37/86/89/334378689.db2.gz BUUAERYSVQLPPR-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@H]3CCC[C@@H](C)C3)[nH]c2c1 ZINC000553473714 334386954 /nfs/dbraw/zinc/38/69/54/334386954.db2.gz QCBVQGURBWWOEU-PWSUYJOCSA-N 0 1 271.364 3.636 20 0 CHADMN CCc1cccc(OCC[N@@H+](C)[C@H](C)c2ccncc2)c1 ZINC000091989632 334389873 /nfs/dbraw/zinc/38/98/73/334389873.db2.gz GSUVSCQFNSTSQG-OAHLLOKOSA-N 0 1 284.403 3.716 20 0 CHADMN Cc1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000553814616 334399659 /nfs/dbraw/zinc/39/96/59/334399659.db2.gz XTMXRPHVJHNUTL-UHFFFAOYSA-N 0 1 299.761 3.706 20 0 CHADMN Cc1ccc2nc(NC(=O)CC(C)(C)C3CC3)[nH]c2c1 ZINC000553812382 334399676 /nfs/dbraw/zinc/39/96/76/334399676.db2.gz WFBWRADENFRHAZ-UHFFFAOYSA-N 0 1 271.364 3.636 20 0 CHADMN CCn1nc(CNCC(C)(C)C(F)(F)F)c2ccccc21 ZINC000554657995 334445094 /nfs/dbraw/zinc/44/50/94/334445094.db2.gz NQWLTOGOGURUTB-UHFFFAOYSA-N 0 1 299.340 3.734 20 0 CHADMN COc1ccc(F)c(CN[C@H](C)c2ccc(C)cc2)c1 ZINC000555525156 334480336 /nfs/dbraw/zinc/48/03/36/334480336.db2.gz XHJBKSPLPYWHCB-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2nccc3ccccc32)n1 ZINC000564428935 334508228 /nfs/dbraw/zinc/50/82/28/334508228.db2.gz AKXBHFBBQALZMF-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN Cc1nc(CN[C@H]2c3cccc(F)c3CC[C@@H]2C)[nH]c1C ZINC000565243396 334547970 /nfs/dbraw/zinc/54/79/70/334547970.db2.gz YDZLMGCLDRJFGD-DYZYQPBXSA-N 0 1 287.382 3.579 20 0 CHADMN COc1cccc2cc([C@H](C)N[C@H]3CCC[C@H]3F)oc21 ZINC000565436742 334563866 /nfs/dbraw/zinc/56/38/66/334563866.db2.gz RYQDIDCKWJUQFA-UHTWSYAYSA-N 0 1 277.339 3.983 20 0 CHADMN C[C@@H](O)[C@H](N[C@@H](C)c1cccs1)c1ccccc1F ZINC000565955831 334611984 /nfs/dbraw/zinc/61/19/84/334611984.db2.gz VYRKQPMUMSBMAM-RWSFTLGLSA-N 0 1 279.380 3.660 20 0 CHADMN Cc1cc(C)cc(-c2noc(-c3ccc4cncn4c3)n2)c1 ZINC000566822473 334665839 /nfs/dbraw/zinc/66/58/39/334665839.db2.gz MRNCJPLTLFUKLD-UHFFFAOYSA-N 0 1 290.326 3.668 20 0 CHADMN CCc1ccc(CN[C@@H]2c3ccc(F)cc3O[C@H]2C)cc1 ZINC000566996360 334672465 /nfs/dbraw/zinc/67/24/65/334672465.db2.gz XFFFCCNSQWETKW-SGTLLEGYSA-N 0 1 285.362 4.000 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1cc(COC(C)(C)C)on1 ZINC000567015553 334673477 /nfs/dbraw/zinc/67/34/77/334673477.db2.gz YAZQXVBBVKGNKA-LBPRGKRZSA-N 0 1 282.428 3.904 20 0 CHADMN Cc1nnc(CN(CCC(C)C)CCC(C)C)n1C1CC1 ZINC000154829500 334705378 /nfs/dbraw/zinc/70/53/78/334705378.db2.gz XERDOUGLMPYORU-UHFFFAOYSA-N 0 1 292.471 3.816 20 0 CHADMN Nc1ccc2c(c1)CC[C@H]2NCc1ccc(Cl)cc1F ZINC000568532421 334829485 /nfs/dbraw/zinc/82/94/85/334829485.db2.gz FMTJQCSLAZJHBM-MRXNPFEDSA-N 0 1 290.769 3.838 20 0 CHADMN CCSc1ccccc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000568629905 334833572 /nfs/dbraw/zinc/83/35/72/334833572.db2.gz PPGPIISFKZOXKP-LBPRGKRZSA-N 0 1 291.420 3.895 20 0 CHADMN CCc1noc(CC)c1CN[C@@H]1CCc2c1cccc2C ZINC000166937792 334920120 /nfs/dbraw/zinc/92/01/20/334920120.db2.gz JTAXLTGJJRUFOF-QGZVFWFLSA-N 0 1 284.403 3.885 20 0 CHADMN C[C@H](NC[C@@H]1C[C@@H]1C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000573249268 334921506 /nfs/dbraw/zinc/92/15/06/334921506.db2.gz CAJABHTYOAGIIO-NHCYSSNCSA-N 0 1 291.782 3.697 20 0 CHADMN Cc1nnc([C@@H](C)N[C@@H](C)CCC(C)(C)C)s1 ZINC000342569537 335182997 /nfs/dbraw/zinc/18/29/97/335182997.db2.gz AEIKOIGNJIZZKD-VHSXEESVSA-N 0 1 255.431 3.712 20 0 CHADMN CCc1cnc(CN(C)C[C@@H](C)c2ccccc2)s1 ZINC000175502865 335186847 /nfs/dbraw/zinc/18/68/47/335186847.db2.gz TUSULBIDYSWXNV-CYBMUJFWSA-N 0 1 274.433 3.941 20 0 CHADMN FC(F)(F)C[C@@H]1CCC[N@@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000580540432 335199586 /nfs/dbraw/zinc/19/95/86/335199586.db2.gz UTHRSNVQOQQRLX-LBPRGKRZSA-N 0 1 297.324 3.727 20 0 CHADMN Cc1nnsc1CN1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000576522055 335214347 /nfs/dbraw/zinc/21/43/47/335214347.db2.gz ZFQGUBUXTFWCOV-HNNXBMFYSA-N 0 1 287.432 3.800 20 0 CHADMN CC[N@@H+](CCc1ccccc1C(=O)[O-])C1CCCCC1 ZINC000576761206 335244911 /nfs/dbraw/zinc/24/49/11/335244911.db2.gz CLJHMACDRLAAKF-UHFFFAOYSA-N 0 1 275.392 3.582 20 0 CHADMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1cc(C(=O)[O-])c(C)o1)C1CC1 ZINC000576761419 335244964 /nfs/dbraw/zinc/24/49/64/335244964.db2.gz LMRODRAOAMOJOX-WDEREUQCSA-N 0 1 279.380 3.685 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@@H]1CCSc2ccccc21 ZINC000576766969 335245820 /nfs/dbraw/zinc/24/58/20/335245820.db2.gz CSJJQGXOFQUOMW-IUODEOHRSA-N 0 1 285.416 3.673 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000576998927 335275915 /nfs/dbraw/zinc/27/59/15/335275915.db2.gz QLFPPCZHBKXOMV-KRWDZBQOSA-N 0 1 289.375 3.609 20 0 CHADMN Cc1noc([C@@H](C)N(C)[C@H](C)CCc2cccc(F)c2)n1 ZINC000580571083 335285343 /nfs/dbraw/zinc/28/53/43/335285343.db2.gz XAGWNXYSPJKVON-VXGBXAGGSA-N 0 1 291.370 3.531 20 0 CHADMN c1sc(CCc2ccccc2)nc1CNC1(C2CC2)CC1 ZINC000580635160 335307440 /nfs/dbraw/zinc/30/74/40/335307440.db2.gz XAWKBOMYGWDSNS-UHFFFAOYSA-N 0 1 298.455 3.961 20 0 CHADMN CC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1ccc(C)cc1 ZINC000345354342 335316765 /nfs/dbraw/zinc/31/67/65/335316765.db2.gz KUNDQQXITYGMPC-KBMXLJTQSA-N 0 1 269.392 3.938 20 0 CHADMN Fc1cccc(C=C2CCN(CCc3ccccn3)CC2)c1 ZINC000577189188 335319361 /nfs/dbraw/zinc/31/93/61/335319361.db2.gz VKGOEZRMFWFPAX-UHFFFAOYSA-N 0 1 296.389 3.943 20 0 CHADMN Cc1noc([C@@H](C)N(C)C[C@@H](C)c2cccc(Cl)c2)n1 ZINC000577228614 335326564 /nfs/dbraw/zinc/32/65/64/335326564.db2.gz FQSPMKNURLBSDR-GHMZBOCLSA-N 0 1 293.798 3.828 20 0 CHADMN CC(C)CO[C@@H]1C[C@@H](N[C@@H](C)c2cscn2)C1(C)C ZINC000577236156 335328215 /nfs/dbraw/zinc/32/82/15/335328215.db2.gz KHAKPVDNYIMTID-IACUBPJLSA-N 0 1 282.453 3.633 20 0 CHADMN COc1ccccc1[C@H](CO)N[C@@H]1C[C@H](C)c2ccccc21 ZINC000577298491 335337042 /nfs/dbraw/zinc/33/70/42/335337042.db2.gz KFJITGZHMUUGBB-VHSSKADRSA-N 0 1 297.398 3.567 20 0 CHADMN c1csc(-c2nc(CNC3CCC4(CC4)CC3)no2)c1 ZINC000577458973 335354340 /nfs/dbraw/zinc/35/43/40/335354340.db2.gz YYOLWTPMMFFQDT-UHFFFAOYSA-N 0 1 289.404 3.611 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000577617713 335379169 /nfs/dbraw/zinc/37/91/69/335379169.db2.gz LCEWYYUBYNYYCS-MRXNPFEDSA-N 0 1 291.366 3.558 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000577642479 335384822 /nfs/dbraw/zinc/38/48/22/335384822.db2.gz IJZBXIWXUWLEKI-NSHDSACASA-N 0 1 281.783 3.660 20 0 CHADMN C(=C\[C@H]1CCCCCN1Cc1cnccn1)\c1ccccc1 ZINC000577705087 335390364 /nfs/dbraw/zinc/39/03/64/335390364.db2.gz CJTCMFXLUYDPID-OEIFXAAASA-N 0 1 293.414 3.935 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)Cc1sccc1C ZINC000577760431 335398591 /nfs/dbraw/zinc/39/85/91/335398591.db2.gz BYNJAOLXEIWWTK-UHFFFAOYSA-N 0 1 293.388 3.542 20 0 CHADMN C[C@@H](Cc1c(Cl)cccc1Cl)NCc1ncccn1 ZINC000577964527 335441617 /nfs/dbraw/zinc/44/16/17/335441617.db2.gz PCEWFMWGYDIFPT-JTQLQIEISA-N 0 1 296.201 3.504 20 0 CHADMN Cc1cnn(C)c1CN[C@H](C)c1ccccc1C(F)(F)F ZINC000352750074 335631121 /nfs/dbraw/zinc/63/11/21/335631121.db2.gz PCURDOKVWJANHW-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN CSc1ccc(CN[C@H](C)c2cn3ccccc3n2)cc1 ZINC000579261024 335729997 /nfs/dbraw/zinc/72/99/97/335729997.db2.gz WINMZXKVYLTOLO-CYBMUJFWSA-N 0 1 297.427 3.907 20 0 CHADMN C[C@@H]1C[C@@H]1CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000353804681 533714921 /nfs/dbraw/zinc/71/49/21/533714921.db2.gz FBMBIHKKKLSUMI-ZYHUDNBSSA-N 0 1 283.375 3.815 20 0 CHADMN CC(C)(C)c1cc(CN2C[C@@H]3CCCC[C@H]3C2)no1 ZINC000580013763 335947941 /nfs/dbraw/zinc/94/79/41/335947941.db2.gz GRIJLPWFIOPTQS-STQMWFEESA-N 0 1 262.397 3.594 20 0 CHADMN CC(C)CO[C@H]1CCN(Cc2sccc2Cl)C1 ZINC000194433886 336022047 /nfs/dbraw/zinc/02/20/47/336022047.db2.gz UXDHGKCZQIXDFA-NSHDSACASA-N 0 1 273.829 3.648 20 0 CHADMN NC1(c2noc(-c3sccc3C3CC3)n2)CCCCC1 ZINC000581185527 336020777 /nfs/dbraw/zinc/02/07/77/336020777.db2.gz UFPSXKYBOQYNDS-UHFFFAOYSA-N 0 1 289.404 3.794 20 0 CHADMN CC(C)C[C@@H]1CCCCC[N@H+]1Cc1occc1C(=O)[O-] ZINC000581256469 336032985 /nfs/dbraw/zinc/03/29/85/336032985.db2.gz WKEOUHPGJXQNMR-ZDUSSCGKSA-N 0 1 279.380 3.769 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](Cc2cc(C(=O)[O-])oc2CC)C1 ZINC000581315740 336046922 /nfs/dbraw/zinc/04/69/22/336046922.db2.gz QKKPPCUDBJVBJN-KRWDZBQOSA-N 0 1 293.407 3.942 20 0 CHADMN CSCCC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000195198984 336049282 /nfs/dbraw/zinc/04/92/82/336049282.db2.gz OYDZXKZLWFMUPR-UHFFFAOYSA-N 0 1 289.404 3.522 20 0 CHADMN CC1(C)CN(C(=O)c2ccc(O)c(Cl)c2)[C@H]2CCC[C@H]21 ZINC000381117070 336050743 /nfs/dbraw/zinc/05/07/43/336050743.db2.gz KMEJASOEXYIZBV-YPMHNXCESA-N 0 1 293.794 3.696 20 0 CHADMN CC(C)OC[C@@H](C)NCc1cc(Cl)sc1Cl ZINC000381315203 336059129 /nfs/dbraw/zinc/05/91/29/336059129.db2.gz MSOLYVOQYMHXES-MRVPVSSYSA-N 0 1 282.236 3.958 20 0 CHADMN CC[N@@H+](Cc1c(C)cccc1C)C1CCC(C(=O)[O-])CC1 ZINC000581381538 336065981 /nfs/dbraw/zinc/06/59/81/336065981.db2.gz LHLDTCYAXXAZRV-UHFFFAOYSA-N 0 1 289.419 3.769 20 0 CHADMN COC(=O)c1cccc(CN(C)CC(C)(C)C)c1Cl ZINC000381572902 336068766 /nfs/dbraw/zinc/06/87/66/336068766.db2.gz ZFTSSCVALMFOTP-UHFFFAOYSA-N 0 1 283.799 3.605 20 0 CHADMN COC(=O)c1cccc(CN2[C@@H](C)CCC[C@@H]2C)c1Cl ZINC000381602332 336069241 /nfs/dbraw/zinc/06/92/41/336069241.db2.gz GOPBOECOXMFGTI-RYUDHWBXSA-N 0 1 295.810 3.890 20 0 CHADMN Cc1nc2c(n1C[C@H]1CCCC1(F)F)CCCC2 ZINC000382010881 336080163 /nfs/dbraw/zinc/08/01/63/336080163.db2.gz ZFZOEXWBYAQKPP-LLVKDONJSA-N 0 1 254.324 3.506 20 0 CHADMN Brc1ccc(CN2CCC[C@H]3CCC[C@H]32)o1 ZINC000382126594 336082404 /nfs/dbraw/zinc/08/24/04/336082404.db2.gz VJFHKBUFQSKLEP-ZYHUDNBSSA-N 0 1 284.197 3.807 20 0 CHADMN CCc1cc(CN[C@H]2C[C@@H](C)c3ccccc32)on1 ZINC000581512185 336092296 /nfs/dbraw/zinc/09/22/96/336092296.db2.gz QRQFXMRKQYLCGG-BZNIZROVSA-N 0 1 256.349 3.575 20 0 CHADMN C[C@H]1CCCCC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000383057161 336103704 /nfs/dbraw/zinc/10/37/04/336103704.db2.gz MKDIMJMLNIHGMR-NSHDSACASA-N 0 1 253.773 3.810 20 0 CHADMN C[C@H]1CCCCC[N@H+]1Cc1cccc([O-])c1Cl ZINC000383057161 336103705 /nfs/dbraw/zinc/10/37/05/336103705.db2.gz MKDIMJMLNIHGMR-NSHDSACASA-N 0 1 253.773 3.810 20 0 CHADMN Cc1ccsc1C[N@H+](C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000383692729 336116451 /nfs/dbraw/zinc/11/64/51/336116451.db2.gz FNCUMGYPQWLMLV-SNVBAGLBSA-N 0 1 279.361 3.541 20 0 CHADMN CCc1nc(C)c(CN[C@H](C)c2ccc(CC)cc2)o1 ZINC000383799168 336117914 /nfs/dbraw/zinc/11/79/14/336117914.db2.gz YKUFVMXTXJXLNO-GFCCVEGCSA-N 0 1 272.392 3.959 20 0 CHADMN C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1ccc2c(n1)CCC2 ZINC000581652972 336118233 /nfs/dbraw/zinc/11/82/33/336118233.db2.gz NRCUEDVCGPAJHL-WCQYABFASA-N 0 1 298.352 3.733 20 0 CHADMN CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000384312348 336123692 /nfs/dbraw/zinc/12/36/92/336123692.db2.gz NTVBGDTYHPUQCE-JQWIXIFHSA-N 0 1 253.773 3.666 20 0 CHADMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cccc([O-])c1Cl ZINC000384312348 336123693 /nfs/dbraw/zinc/12/36/93/336123693.db2.gz NTVBGDTYHPUQCE-JQWIXIFHSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@H](CC(C)(C)C)NC(=O)c1ccc(O)c(Cl)c1 ZINC000384586935 336126423 /nfs/dbraw/zinc/12/64/23/336126423.db2.gz YOEIIQKWUKPFOT-SECBINFHSA-N 0 1 269.772 3.600 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000581731980 336139673 /nfs/dbraw/zinc/13/96/73/336139673.db2.gz YFBRIVSJNMOVBC-LBPRGKRZSA-N 0 1 287.359 3.788 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000003763889 336156291 /nfs/dbraw/zinc/15/62/91/336156291.db2.gz LPOKXFAUXPAJSM-HIFRSBDPSA-N 0 1 283.371 3.697 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(-c2ccc(C)cc2)no1 ZINC000386510526 336176015 /nfs/dbraw/zinc/17/60/15/336176015.db2.gz VUHKIFIZGXYKIZ-ZDUSSCGKSA-N 0 1 273.380 3.742 20 0 CHADMN CC(C)(C)c1nc(CN[C@H]2CC23CCCC3)cs1 ZINC000387162699 336186742 /nfs/dbraw/zinc/18/67/42/336186742.db2.gz RKGWGXDXUPQNNA-LBPRGKRZSA-N 0 1 264.438 3.863 20 0 CHADMN CC(C)[C@@H](NCc1ccno1)c1ccc(Cl)cc1 ZINC000264748080 519799252 /nfs/dbraw/zinc/79/92/52/519799252.db2.gz VTQLQXILVAGJGB-CQSZACIVSA-N 0 1 264.756 3.815 20 0 CHADMN CCSCCN(Cc1ccc(F)cc1F)C1CC1 ZINC000340947919 521706291 /nfs/dbraw/zinc/70/62/91/521706291.db2.gz JESQFBKZPVUXDL-UHFFFAOYSA-N 0 1 271.376 3.682 20 0 CHADMN Cc1ccc(C)n1C1CCN([C@H](C)c2cnc(C)cn2)CC1 ZINC000336111633 533725589 /nfs/dbraw/zinc/72/55/89/533725589.db2.gz LLROIWKBEHRFIC-MRXNPFEDSA-N 0 1 298.434 3.601 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCC(OC3CCC3)CC2)o1 ZINC000418087401 533744331 /nfs/dbraw/zinc/74/43/31/533744331.db2.gz CANWKAOYGPBELA-DYVFJYSZSA-N 0 1 289.419 3.937 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCS[C@H](C)[C@H]2C)o1 ZINC000353852435 533745302 /nfs/dbraw/zinc/74/53/02/533745302.db2.gz CSUKHCCOYLABID-BYNQJWBRSA-N 0 1 265.422 3.729 20 0 CHADMN C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1nccs1 ZINC000347591407 533777977 /nfs/dbraw/zinc/77/79/77/533777977.db2.gz ZMRPNVVHXSCKRB-VXGBXAGGSA-N 0 1 252.427 3.790 20 0 CHADMN Cc1c(CN(Cc2ccccc2F)CC(C)C)cnn1C ZINC000350704894 533843349 /nfs/dbraw/zinc/84/33/49/533843349.db2.gz YTANCECKKFHQIL-UHFFFAOYSA-N 0 1 289.398 3.526 20 0 CHADMN Cc1ccc(CN(CCC[C@@H](C)O)Cc2ccco2)s1 ZINC000354875197 533881056 /nfs/dbraw/zinc/88/10/56/533881056.db2.gz VVVFCNZDWRDZRO-CYBMUJFWSA-N 0 1 293.432 3.813 20 0 CHADMN COc1ccc(F)c(CN2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000353554452 533900631 /nfs/dbraw/zinc/90/06/31/533900631.db2.gz KQVAKBILUHEJQK-MRXNPFEDSA-N 0 1 275.367 3.599 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2C)nn1 ZINC000334880832 533925907 /nfs/dbraw/zinc/92/59/07/533925907.db2.gz GLWKECIZSAKXGK-QGZVFWFLSA-N 0 1 285.366 3.570 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)nc1 ZINC000336228232 533940705 /nfs/dbraw/zinc/94/07/05/533940705.db2.gz RQUXCKLBVKYCJB-NWDGAFQWSA-N 0 1 272.314 3.553 20 0 CHADMN COc1ccccc1/C=C\CN(C)[C@@H](C)c1cccnc1 ZINC000350387339 533957558 /nfs/dbraw/zinc/95/75/58/533957558.db2.gz CYTMEVSEKBZUSA-XMELGKRDSA-N 0 1 282.387 3.796 20 0 CHADMN C[C@H]1CN(Cc2cscc2Br)C[C@H]1C ZINC000347856574 533962835 /nfs/dbraw/zinc/96/28/35/533962835.db2.gz OHGNLGDFATXIJH-DTORHVGOSA-N 0 1 274.227 3.598 20 0 CHADMN Cc1c[nH]nc1CN(C1CC1)C1CC(c2ccccc2C)C1 ZINC000356111933 533991028 /nfs/dbraw/zinc/99/10/28/533991028.db2.gz ORXFSDXBCFNLOM-UHFFFAOYSA-N 0 1 295.430 3.937 20 0 CHADMN CS[C@H](C(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000352099585 534018279 /nfs/dbraw/zinc/01/82/79/534018279.db2.gz GMQVPHKUDLQPBX-HNNXBMFYSA-N 0 1 297.383 3.606 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N(C)CC[C@@H]1CCCCO1 ZINC000347387153 534041721 /nfs/dbraw/zinc/04/17/21/534041721.db2.gz RHJCCTJNCYHGOI-STQMWFEESA-N 0 1 283.362 3.917 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC(c2c[nH]cn2)CC1 ZINC000335272965 534043573 /nfs/dbraw/zinc/04/35/73/534043573.db2.gz UMKHGVHVQUNJFG-NSHDSACASA-N 0 1 291.345 3.629 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C1=CCC(C)(C)CC1 ZINC000332683130 534126321 /nfs/dbraw/zinc/12/63/21/534126321.db2.gz UXYNRMHKBIRZFQ-UHFFFAOYSA-N 0 1 283.375 3.946 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000332627399 534129274 /nfs/dbraw/zinc/12/92/74/534129274.db2.gz OTNDGWJAVDVSTH-CMPLNLGQSA-N 0 1 271.364 3.636 20 0 CHADMN C[C@@H]1CCCC[C@@H]1c1noc(-c2cc3cccnc3[nH]2)n1 ZINC000333841814 534166613 /nfs/dbraw/zinc/16/66/13/534166613.db2.gz LIOHZGNNAHJLQU-PWSUYJOCSA-N 0 1 282.347 3.907 20 0 CHADMN C[C@@H]1OCC[C@]1(C)NCc1csc(-c2ccsc2)n1 ZINC000344375429 534205214 /nfs/dbraw/zinc/20/52/14/534205214.db2.gz QKHHPTURNLQVJV-HZMBPMFUSA-N 0 1 294.445 3.529 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000352625792 534242185 /nfs/dbraw/zinc/24/21/85/534242185.db2.gz JKLZAQPARQGQEX-NSHDSACASA-N 0 1 297.333 3.519 20 0 CHADMN C[C@@H]1CC[C@H]1N[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000353801694 534263668 /nfs/dbraw/zinc/26/36/68/534263668.db2.gz FWTVPZQMTIPZCQ-SSKCKEOISA-N 0 1 288.341 3.837 20 0 CHADMN C/C(=C/c1ccccc1)CN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000449575635 517307990 /nfs/dbraw/zinc/30/79/90/517307990.db2.gz YMARDXKRKWAPEI-YYKIQEHNSA-N 0 1 267.376 3.582 20 0 CHADMN CC(C)c1nc(CN[C@@H]2C[C@H](C)CC[C@H]2C(C)C)no1 ZINC000495419445 517490667 /nfs/dbraw/zinc/49/06/67/517490667.db2.gz BHUFXOFIXJAJCY-HZSPNIEDSA-N 0 1 279.428 3.743 20 0 CHADMN CC(C)n1cc(CN[C@@H]2CCCc3sccc32)cn1 ZINC000183783636 517496475 /nfs/dbraw/zinc/49/64/75/517496475.db2.gz QSDRNBCGZUTOTK-CQSZACIVSA-N 0 1 275.421 3.693 20 0 CHADMN C[C@@H](N[C@H](CO)c1c(Cl)cccc1Cl)C1CCC1 ZINC000475622161 518178327 /nfs/dbraw/zinc/17/83/27/518178327.db2.gz GAXOYXDKIZIKBZ-NOZJJQNGSA-N 0 1 288.218 3.805 20 0 CHADMN CC(C(=O)Nc1cc2cn[nH]c2cc1C)=C1CCCC1 ZINC000276627008 518504582 /nfs/dbraw/zinc/50/45/82/518504582.db2.gz AYDMWIOHBCGVLB-UHFFFAOYSA-N 0 1 269.348 3.700 20 0 CHADMN CC(C)(C)CCCC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000269915674 518637107 /nfs/dbraw/zinc/63/71/07/518637107.db2.gz KZQPCEFCRIYNSK-UHFFFAOYSA-N 0 1 286.379 3.627 20 0 CHADMN CC(C)(C)c1ccccc1NC(=O)[C@](C)(N)c1ccccc1 ZINC000236751093 519060992 /nfs/dbraw/zinc/06/09/92/519060992.db2.gz PDRJXDSXVYVJNK-LJQANCHMSA-N 0 1 296.414 3.797 20 0 CHADMN CC(C)(C)c1n[nH]cc1C(=O)Nc1ccc(Cl)cc1F ZINC000292660467 519089626 /nfs/dbraw/zinc/08/96/26/519089626.db2.gz KVLIBFOXBSRISW-UHFFFAOYSA-N 0 1 295.745 3.752 20 0 CHADMN CC(C)(C)c1nc(CSc2nc3ccccc3o2)n[nH]1 ZINC000292408391 519103441 /nfs/dbraw/zinc/10/34/41/519103441.db2.gz JPVMCKOPMXTWIB-UHFFFAOYSA-N 0 1 288.376 3.536 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2c[nH]cc2-c2ccccc2)n1 ZINC000339389316 519225948 /nfs/dbraw/zinc/22/59/48/519225948.db2.gz FNUCAANCRYBRJQ-OAHLLOKOSA-N 0 1 296.374 3.778 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cccc(F)c2Cl)n1 ZINC000339395972 519227467 /nfs/dbraw/zinc/22/74/67/519227467.db2.gz VEORNQJKJXHIOT-SNVBAGLBSA-N 0 1 283.734 3.575 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2ccc(Cl)cc2F)n1 ZINC000339388881 519227679 /nfs/dbraw/zinc/22/76/79/519227679.db2.gz KOPGRNOKUYQNTB-LLVKDONJSA-N 0 1 283.734 3.575 20 0 CHADMN CC(C)C[C@@H](N)c1noc(CCc2ccc(Cl)s2)n1 ZINC000339383991 519233552 /nfs/dbraw/zinc/23/35/52/519233552.db2.gz DCZQMKBSLHAWAV-SNVBAGLBSA-N 0 1 299.827 3.616 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H](C)c2cccc(Cl)c2)n1 ZINC000339388727 519235500 /nfs/dbraw/zinc/23/55/00/519235500.db2.gz JDYYFLHYCWILOE-GXFFZTMASA-N 0 1 293.798 3.921 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2c[nH]cc2-c2ccccc2)n1 ZINC000339389315 519369604 /nfs/dbraw/zinc/36/96/04/519369604.db2.gz FNUCAANCRYBRJQ-HNNXBMFYSA-N 0 1 296.374 3.778 20 0 CHADMN CC(C)C[C@H]1COCCN1Cc1coc2ccccc12 ZINC000353607966 519418070 /nfs/dbraw/zinc/41/80/70/519418070.db2.gz CKWYGTXWJKFXPE-HNNXBMFYSA-N 0 1 273.376 3.680 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@H]2NCc1cnccc1C ZINC000334669872 534429397 /nfs/dbraw/zinc/42/93/97/534429397.db2.gz WVBMTTXDDDGPCW-QGZVFWFLSA-N 0 1 282.387 3.702 20 0 CHADMN CC(C)N(CC1CCC1)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000278161350 519640735 /nfs/dbraw/zinc/64/07/35/519640735.db2.gz PHGCGHFVFQSYLW-UHFFFAOYSA-N 0 1 297.402 3.727 20 0 CHADMN CC(C)CN(Cc1ncc(Br)s1)C(C)C ZINC000341199163 519718576 /nfs/dbraw/zinc/71/85/76/519718576.db2.gz YCNIVVWDJUYMNA-UHFFFAOYSA-N 0 1 291.258 3.772 20 0 CHADMN CC(C)Oc1ccc([C@@H](C)NCc2cncc(F)c2)cc1 ZINC000275222254 519781570 /nfs/dbraw/zinc/78/15/70/519781570.db2.gz ULNXJOYMGCJZIH-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN CC(C)[C@@H](NCc1cc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000066992359 519799127 /nfs/dbraw/zinc/79/91/27/519799127.db2.gz CINQSFORSMQBMG-CQSZACIVSA-N 0 1 297.324 3.915 20 0 CHADMN CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccn[nH]1 ZINC000113076471 519801594 /nfs/dbraw/zinc/80/15/94/519801594.db2.gz FWLBBKQCUXFIGI-AWEZNQCLSA-N 0 1 291.782 3.532 20 0 CHADMN CC(C)[C@@H]1C[C@@H](CNCc2csnn2)c2ccccc21 ZINC000280501065 519804925 /nfs/dbraw/zinc/80/49/25/519804925.db2.gz PMCJFNPRFQEKAH-LRDDRELGSA-N 0 1 287.432 3.555 20 0 CHADMN CC(C)[C@H](NCc1cc[nH]n1)c1ccc(Cl)cc1 ZINC000036975545 519820966 /nfs/dbraw/zinc/82/09/66/519820966.db2.gz MGXYXUKBRPNPEN-AWEZNQCLSA-N 0 1 263.772 3.550 20 0 CHADMN CC(C)[C@H]1CN(Cc2nc3ccccc3s2)CCCO1 ZINC000292896267 519826914 /nfs/dbraw/zinc/82/69/14/519826914.db2.gz ACKUDFAKKXABNK-CQSZACIVSA-N 0 1 290.432 3.543 20 0 CHADMN CC(C)[C@H]1C[C@@H](N[C@@H](C)c2c(F)cncc2F)CS1 ZINC000289542585 519827405 /nfs/dbraw/zinc/82/74/05/519827405.db2.gz IDAAVNZOKRXSDR-OPQQBVKSSA-N 0 1 286.391 3.541 20 0 CHADMN CC(C)c1nc(CN2CCCCC[C@@H]2c2ccco2)n[nH]1 ZINC000292333707 519862833 /nfs/dbraw/zinc/86/28/33/519862833.db2.gz CGQJYENUUSLKEC-CYBMUJFWSA-N 0 1 288.395 3.638 20 0 CHADMN CC(C)c1nc(CN[C@@H](C)c2c(F)cccc2Cl)n[nH]1 ZINC000293302034 519863968 /nfs/dbraw/zinc/86/39/68/519863968.db2.gz VBWWKUBIPXIBIR-VIFPVBQESA-N 0 1 296.777 3.571 20 0 CHADMN CC(C)c1nc(CN[C@H]2CCC[C@@H]2OC(F)F)cs1 ZINC000337289108 519864406 /nfs/dbraw/zinc/86/44/06/519864406.db2.gz LRSVASFYLRXUFQ-QWRGUYRKSA-N 0 1 290.379 3.516 20 0 CHADMN CC(C)c1nc([C@@H](C)NCc2ccc3c(c2)CCCC3)n[nH]1 ZINC000291646727 519866605 /nfs/dbraw/zinc/86/66/05/519866605.db2.gz CFMADWKKNOUBMW-CYBMUJFWSA-N 0 1 298.434 3.658 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H]2C[C@H](C)c3ccccc32)n[nH]1 ZINC000290286544 519867807 /nfs/dbraw/zinc/86/78/07/519867807.db2.gz MMSJIHAUDQNJDF-SLEUVZQESA-N 0 1 284.407 3.827 20 0 CHADMN CC(C)n1cc(CNCc2ccc(C(C)(F)F)cc2)cn1 ZINC000292918373 519957235 /nfs/dbraw/zinc/95/72/35/519957235.db2.gz IACXOAFTPULHAP-UHFFFAOYSA-N 0 1 293.361 3.866 20 0 CHADMN CCN(C(=O)c1cnc(C)[nH]1)[C@@H](C)c1cc2ccccc2o1 ZINC000264910385 520058708 /nfs/dbraw/zinc/05/87/08/520058708.db2.gz ZFDAOOZJXCSZAG-NSHDSACASA-N 0 1 297.358 3.688 20 0 CHADMN CCN(C(=O)c1cccc2[nH]c(C)nc21)[C@@H]1CCCC[C@H]1C ZINC000338537114 520104487 /nfs/dbraw/zinc/10/44/87/520104487.db2.gz RFLNBHHUAKAQHB-MLGOLLRUSA-N 0 1 299.418 3.912 20 0 CHADMN CC(C)n1nccc1CNC1(c2ccccc2)CCC1 ZINC000280811597 520108536 /nfs/dbraw/zinc/10/85/36/520108536.db2.gz IEUSWXGGEAKQFI-UHFFFAOYSA-N 0 1 269.392 3.633 20 0 CHADMN CC(C)n1nccc1CN[C@@H]1CCSc2ccccc21 ZINC000279977769 520109781 /nfs/dbraw/zinc/10/97/81/520109781.db2.gz QGENENHNMYDTDX-OAHLLOKOSA-N 0 1 287.432 3.791 20 0 CHADMN CCC=C(C)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000299286028 520194201 /nfs/dbraw/zinc/19/42/01/520194201.db2.gz GDZAQCOAQRWNAN-IWOOQVRJSA-N 0 1 299.374 3.709 20 0 CHADMN CC1(C)CCCC[C@H]1c1nc(C2(N)CCCCC2)no1 ZINC000226694033 520319493 /nfs/dbraw/zinc/31/94/93/520319493.db2.gz KFIFPASDLSMCNK-LBPRGKRZSA-N 0 1 277.412 3.872 20 0 CHADMN Cc1nocc1CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000335944851 534494158 /nfs/dbraw/zinc/49/41/58/534494158.db2.gz GGRCHZDEJSJLQL-GFCCVEGCSA-N 0 1 288.313 3.538 20 0 CHADMN CCCC[N@@H+](CCC(=O)[O-])[C@H](CC)c1ccccc1 ZINC000236731325 520487061 /nfs/dbraw/zinc/48/70/61/520487061.db2.gz UXQCZOWBXCSCDF-OAHLLOKOSA-N 0 1 263.381 3.715 20 0 CHADMN CCO[C@H]1CCCN(c2cc(C)nc3ccc(F)cc32)C1 ZINC000122175720 520528142 /nfs/dbraw/zinc/52/81/42/520528142.db2.gz BKURCMJAWUHUFV-AWEZNQCLSA-N 0 1 288.366 3.688 20 0 CHADMN CCN(CC)C(=O)[C@H](C)N(C)Cc1cccc2ccccc21 ZINC000340826749 520532756 /nfs/dbraw/zinc/53/27/56/520532756.db2.gz QPMUWRZRWJZSKO-HNNXBMFYSA-N 0 1 298.430 3.529 20 0 CHADMN Fc1ccc2c(c1)nccc2NCc1cn2ccccc2n1 ZINC000113246822 534506834 /nfs/dbraw/zinc/50/68/34/534506834.db2.gz PUBGAIVLPCLVHB-UHFFFAOYSA-N 0 1 292.317 3.634 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C(=O)CC3(C)CC3)[nH]c2c1 ZINC000336125589 534507718 /nfs/dbraw/zinc/50/77/18/534507718.db2.gz CHLNZWLIXNQHSL-OAHLLOKOSA-N 0 1 297.402 3.725 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263582634 520671354 /nfs/dbraw/zinc/67/13/54/520671354.db2.gz YVSSFIAAHKIWSD-CJNGLKHVSA-N 0 1 275.392 3.785 20 0 CHADMN CCOc1cc(C)ccc1CN[C@H](C)c1cccnc1 ZINC000151717785 520682421 /nfs/dbraw/zinc/68/24/21/520682421.db2.gz URLGKVUVFJQKID-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)CCC(=O)[O-] ZINC000236883689 520709828 /nfs/dbraw/zinc/70/98/28/520709828.db2.gz XYESQSOVDPVPCA-INIZCTEOSA-N 0 1 277.408 3.585 20 0 CHADMN CCOc1cc(CNCc2ccccc2F)ccc1OC ZINC000020091170 520723907 /nfs/dbraw/zinc/72/39/07/520723907.db2.gz DYIDWAABQRHFGA-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN CCC[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1ccsc1 ZINC000276927352 520790527 /nfs/dbraw/zinc/79/05/27/520790527.db2.gz NLXAHMFDNGZSLT-ZIAGYGMSSA-N 0 1 275.421 3.980 20 0 CHADMN CCCCOc1cc(CNCc2ccco2)ccc1OC ZINC000032144441 520848714 /nfs/dbraw/zinc/84/87/14/520848714.db2.gz VIJUCAJTCGZRDF-UHFFFAOYSA-N 0 1 289.375 3.757 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1ncnn1-c1ccccc1 ZINC000337198090 520900604 /nfs/dbraw/zinc/90/06/04/520900604.db2.gz ZHOWWBGMXDWCMH-DOTOQJQBSA-N 0 1 298.434 3.668 20 0 CHADMN CCOc1ccc(CN(C)[C@H](C)c2ccccn2)cc1F ZINC000278787871 520965950 /nfs/dbraw/zinc/96/59/50/520965950.db2.gz VODMQDFNRTZNBD-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccccc2OC)cc1 ZINC000020096589 521007519 /nfs/dbraw/zinc/00/75/19/521007519.db2.gz DKPAGCRPQAEOGZ-AWEZNQCLSA-N 0 1 285.387 3.945 20 0 CHADMN CCC[C@H](N[C@@H](C)c1nccs1)[C@@H](O)c1ccccc1 ZINC000280170978 521171019 /nfs/dbraw/zinc/17/10/19/521171019.db2.gz RDFVPPCIXITTPT-QEJZJMRPSA-N 0 1 290.432 3.696 20 0 CHADMN CCC[C@H](OC)c1noc(-c2ccc(Cl)cc2O)n1 ZINC000157386031 521193133 /nfs/dbraw/zinc/19/31/33/521193133.db2.gz PILNLDRKYPZTLO-NSHDSACASA-N 0 1 282.727 3.583 20 0 CHADMN CCN(Cc1ccc(Cl)cc1)Cc1cccnc1 ZINC000263730259 521308742 /nfs/dbraw/zinc/30/87/42/521308742.db2.gz GTMGXEOHHPQERZ-UHFFFAOYSA-N 0 1 260.768 3.757 20 0 CHADMN CCOc1cccc(CN[C@H]2CCCc3occc32)c1 ZINC000037678464 521376700 /nfs/dbraw/zinc/37/67/00/521376700.db2.gz ZKEKGLIZUXONCE-INIZCTEOSA-N 0 1 271.360 3.846 20 0 CHADMN CCOc1cccc([C@H](C)NCc2ccc(C)o2)c1 ZINC000068840283 521420998 /nfs/dbraw/zinc/42/09/98/521420998.db2.gz NVQCYPQVHXGQOI-ZDUSSCGKSA-N 0 1 259.349 3.838 20 0 CHADMN CCN(Cc1ccnn1C(C)C)Cc1ccccc1C ZINC000337126446 521424312 /nfs/dbraw/zinc/42/43/12/521424312.db2.gz FZNAKJBEGSZJKB-UHFFFAOYSA-N 0 1 271.408 3.795 20 0 CHADMN CCN(Cc1cnn(CC(C)C)c1)Cc1cccc(F)c1 ZINC000340945342 521438795 /nfs/dbraw/zinc/43/87/95/521438795.db2.gz HQPSCAYDTTWXOW-UHFFFAOYSA-N 0 1 289.398 3.700 20 0 CHADMN CCCc1nc(C)c(CNCc2cc(C)cc(C)c2)o1 ZINC000291753932 521498341 /nfs/dbraw/zinc/49/83/41/521498341.db2.gz QNWHVDLBBNZEQA-UHFFFAOYSA-N 0 1 272.392 3.842 20 0 CHADMN CCC(CC)C[N@@H+](CC)Cc1ccc(C(=O)[O-])cc1 ZINC000048970681 521519906 /nfs/dbraw/zinc/51/99/06/521519906.db2.gz HTACDISZVGAPMT-UHFFFAOYSA-N 0 1 263.381 3.643 20 0 CHADMN CCC[N@@H+](CCCCC(=O)[O-])[C@H]1CCc2ccccc21 ZINC000262261574 521652079 /nfs/dbraw/zinc/65/20/79/521652079.db2.gz RELXMCBNLTYDBN-INIZCTEOSA-N 0 1 275.392 3.641 20 0 CHADMN CCCn1nc(C)c(CNCc2coc3ccccc23)c1C ZINC000339413588 521667900 /nfs/dbraw/zinc/66/79/00/521667900.db2.gz WLCLLPFZMFYCRV-UHFFFAOYSA-N 0 1 297.402 3.946 20 0 CHADMN CCS[C@H]1CCCCN([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000112088264 521730516 /nfs/dbraw/zinc/73/05/16/521730516.db2.gz MSDRKFVWADDCBE-AAEUAGOBSA-N 0 1 295.452 3.616 20 0 CHADMN CCc1cccc2c1OCC[C@@H]2NCc1cnccc1C ZINC000280959031 521798912 /nfs/dbraw/zinc/79/89/12/521798912.db2.gz SEDGFDJBZOCRDA-KRWDZBQOSA-N 0 1 282.387 3.566 20 0 CHADMN CC[C@H](C)[C@@H](C)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000128329449 521826459 /nfs/dbraw/zinc/82/64/59/521826459.db2.gz CHQIMZVXBALPCF-ZENOOKHLSA-N 0 1 289.398 3.673 20 0 CHADMN COCC[C@@H](N[C@H](C)c1ccsc1)c1ccco1 ZINC000272594295 521861929 /nfs/dbraw/zinc/86/19/29/521861929.db2.gz SNYZKMHPKRDUCH-DGCLKSJQSA-N 0 1 265.378 3.770 20 0 CHADMN CC[C@H](C)[C@H](C)[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000263581108 521922756 /nfs/dbraw/zinc/92/27/56/521922756.db2.gz WSXUIGKTSZDUJC-STQMWFEESA-N 0 1 275.392 3.784 20 0 CHADMN Cc1nc([C@H](C)NCCCOc2ccccc2C)cs1 ZINC000348006321 534600500 /nfs/dbraw/zinc/60/05/00/534600500.db2.gz HEIVJMQEQLTKRD-ZDUSSCGKSA-N 0 1 290.432 3.880 20 0 CHADMN COCC[C@H](NCc1cccc(Cl)c1)c1ccco1 ZINC000272505464 521974669 /nfs/dbraw/zinc/97/46/69/521974669.db2.gz HBSKMQRHKINMPN-AWEZNQCLSA-N 0 1 279.767 3.800 20 0 CHADMN COCC[C@H](N[C@H]1CCc2cc(F)ccc21)c1ccco1 ZINC000272617317 521977156 /nfs/dbraw/zinc/97/71/56/521977156.db2.gz XLOTUWQPXYOIME-HOTGVXAUSA-N 0 1 289.350 3.773 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@H]2CCc3ccc(C)cc32)n[nH]1 ZINC000277213061 522052805 /nfs/dbraw/zinc/05/28/05/522052805.db2.gz KLOKNXGDSIJLAI-ZENOOKHLSA-N 0 1 298.434 3.965 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2cccc3[nH]ccc32)n[nH]1 ZINC000277407513 522054429 /nfs/dbraw/zinc/05/44/29/522054429.db2.gz LGFIZBHRCDXYEB-RYUDHWBXSA-N 0 1 297.406 3.650 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2ccc(C)o2)n[nH]1 ZINC000277072983 522056451 /nfs/dbraw/zinc/05/64/51/522056451.db2.gz FBOLZQCTBYNJMV-WCQGTBRESA-N 0 1 276.384 3.631 20 0 CHADMN CC[C@H](CNCc1ccc(Oc2ccccc2)o1)OC ZINC000353121654 522198760 /nfs/dbraw/zinc/19/87/60/522198760.db2.gz PBFAMZLLBUPZFB-CYBMUJFWSA-N 0 1 275.348 3.587 20 0 CHADMN CC[C@@H](C)Oc1ccc(NCc2[nH]ncc2C)cc1 ZINC000290073614 522270114 /nfs/dbraw/zinc/27/01/14/522270114.db2.gz YLWODLIWBRZVRK-GFCCVEGCSA-N 0 1 259.353 3.508 20 0 CHADMN CN(C)c1cccnc1CN[C@H]1CCCCc2ccccc21 ZINC000289664116 522300856 /nfs/dbraw/zinc/30/08/56/522300856.db2.gz GURYHQNIWGPBAH-KRWDZBQOSA-N 0 1 295.430 3.705 20 0 CHADMN CC[C@H](Cc1nc([C@H](N)CC(C)C)no1)c1ccccc1 ZINC000339393904 522317038 /nfs/dbraw/zinc/31/70/38/522317038.db2.gz MMWPATUUQNAYIM-UKRRQHHQSA-N 0 1 287.407 3.852 20 0 CHADMN CCc1nc(CN[C@H]2C[C@H](c3ccccc3F)C2)cs1 ZINC000280762019 522357426 /nfs/dbraw/zinc/35/74/26/522357426.db2.gz YRIIBVKEYIMNCR-HAQNSBGRSA-N 0 1 290.407 3.880 20 0 CHADMN CCc1nc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)cs1 ZINC000280772369 522357581 /nfs/dbraw/zinc/35/75/81/522357581.db2.gz ZTNFXZLPYHQYKO-MQMHXKEQSA-N 0 1 290.407 3.880 20 0 CHADMN COC(=O)c1coc([C@@H](C)N[C@H]2CCCc3ccccc32)c1 ZINC000278242479 522375885 /nfs/dbraw/zinc/37/58/85/522375885.db2.gz LMSUAGWFSQVXCX-WBMJQRKESA-N 0 1 299.370 3.794 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccc(Cl)s2)n[nH]1 ZINC000277503903 522439807 /nfs/dbraw/zinc/43/98/07/522439807.db2.gz VRLKESMPDCNZCJ-RKDXNWHRSA-N 0 1 298.843 3.884 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2cc(F)ccc2C)n[nH]1 ZINC000277058081 522439852 /nfs/dbraw/zinc/43/98/52/522439852.db2.gz BHDAPYZSAXDYBQ-ZYHUDNBSSA-N 0 1 290.386 3.617 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2ccc(C)c(C)c2)n[nH]1 ZINC000276768324 522442670 /nfs/dbraw/zinc/44/26/70/522442670.db2.gz AYSFTJDZGMYHRH-RISCZKNCSA-N 0 1 286.423 3.786 20 0 CHADMN CN(CC(=O)Nc1ccccc1-c1ccccc1)C1CCC1 ZINC000072722381 522517304 /nfs/dbraw/zinc/51/73/04/522517304.db2.gz UMJMMBDHOGRBSS-UHFFFAOYSA-N 0 1 294.398 3.776 20 0 CHADMN COC1(CCN2CCCn3c(cc4ccccc43)C2)CCC1 ZINC000339201526 522591219 /nfs/dbraw/zinc/59/12/19/522591219.db2.gz OBZHMCZVNJJNQV-UHFFFAOYSA-N 0 1 298.430 3.806 20 0 CHADMN CC[C@H](NCc1scnc1C)c1ccccc1F ZINC000163837246 522677866 /nfs/dbraw/zinc/67/78/66/522677866.db2.gz WTDSDMKJJXYKLU-ZDUSSCGKSA-N 0 1 264.369 3.832 20 0 CHADMN COC1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000264748315 522707522 /nfs/dbraw/zinc/70/75/22/522707522.db2.gz AFTIQSGINCXRMQ-NSHDSACASA-N 0 1 298.224 3.621 20 0 CHADMN CCc1nnc(CN[C@@H](C)CCc2ccc(C)cc2)s1 ZINC000290082112 522739019 /nfs/dbraw/zinc/73/90/19/522739019.db2.gz GUXVFCQOZOLLKU-ZDUSSCGKSA-N 0 1 289.448 3.520 20 0 CHADMN CC[C@H](N[C@H](CO)c1ccc(F)cc1)c1cccc(F)c1 ZINC000275922601 522747011 /nfs/dbraw/zinc/74/70/11/522747011.db2.gz WDTFKMDXIIJGPF-DLBZAZTESA-N 0 1 291.341 3.739 20 0 CHADMN CCc1noc(C)c1CNCc1cccc(C(F)(F)F)c1 ZINC000292926932 522845765 /nfs/dbraw/zinc/84/57/65/522845765.db2.gz ITEPEQQYYSLBSX-UHFFFAOYSA-N 0 1 298.308 3.854 20 0 CHADMN CC[C@@H](NCc1n[nH]cc1C)c1ccc(Cl)s1 ZINC000289618234 522893214 /nfs/dbraw/zinc/89/32/14/522893214.db2.gz WCXDODUEKNARET-SECBINFHSA-N 0 1 269.801 3.674 20 0 CHADMN COCC1=CCN(Cc2c(Cl)oc3ccccc32)CC1 ZINC000274934295 522922320 /nfs/dbraw/zinc/92/23/20/522922320.db2.gz PASQJIPDRUGOHG-UHFFFAOYSA-N 0 1 291.778 3.865 20 0 CHADMN CC[C@H](c1cccc(OC)c1)N(C)Cc1cncc(F)c1 ZINC000289377032 522937686 /nfs/dbraw/zinc/93/76/86/522937686.db2.gz ITZMAPCIZHRJKE-QGZVFWFLSA-N 0 1 288.366 3.812 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2nc(C)[nH]c21 ZINC000338442155 523196407 /nfs/dbraw/zinc/19/64/07/523196407.db2.gz WVJFQZYHSMDPFE-OCCSQVGLSA-N 0 1 285.391 3.570 20 0 CHADMN CC[C@@H]1CCCN1Cc1cc(-c2cccs2)on1 ZINC000340689726 523265934 /nfs/dbraw/zinc/26/59/34/523265934.db2.gz UNOBOYAPFFANBV-GFCCVEGCSA-N 0 1 262.378 3.778 20 0 CHADMN CCn1cc(CN[C@@H](C)c2cc3cccc(OC)c3o2)cn1 ZINC000264788235 523385507 /nfs/dbraw/zinc/38/55/07/523385507.db2.gz AFDWSXDAVVAKAV-LBPRGKRZSA-N 0 1 299.374 3.509 20 0 CHADMN CC[C@@H]1C[N@@H+](CCCCC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000248373204 523437845 /nfs/dbraw/zinc/43/78/45/523437845.db2.gz HEQXZYHESULCBG-NVXWUHKLSA-N 0 1 289.419 3.757 20 0 CHADMN CCn1cc([C@H](C)N[C@H](C)c2ccc(Cl)cc2)cn1 ZINC000044494944 523476488 /nfs/dbraw/zinc/47/64/88/523476488.db2.gz GMFHLVQCFRCJRA-NEPJUHHUSA-N 0 1 277.799 3.968 20 0 CHADMN CN(Cc1nc(C(F)(F)F)cs1)C1CCCCC1 ZINC000131254207 523552405 /nfs/dbraw/zinc/55/24/05/523552405.db2.gz FHOZMHQLAWEUIR-UHFFFAOYSA-N 0 1 278.343 3.926 20 0 CHADMN CC[C@]1(C)CCN(Cc2nnc(-c3cc(C)oc3C)o2)C1 ZINC000336834846 523568867 /nfs/dbraw/zinc/56/88/67/523568867.db2.gz HTNCWXFJRXDJSZ-MRXNPFEDSA-N 0 1 289.379 3.568 20 0 CHADMN CC[C@H](C(=O)Nc1c(C)n[nH]c1C(F)F)c1ccccc1 ZINC000279956873 523797089 /nfs/dbraw/zinc/79/70/89/523797089.db2.gz XYVDDPJCHQCHHN-NSHDSACASA-N 0 1 293.317 3.788 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1ccc(F)nc1C ZINC000278345509 523858826 /nfs/dbraw/zinc/85/88/26/523858826.db2.gz HTPLMOUOKIMPIG-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN CO[C@H](C)[C@@H](C)NCc1csc(-c2ccc(C)cc2)n1 ZINC000289819790 523891690 /nfs/dbraw/zinc/89/16/90/523891690.db2.gz NOOIZZKCTWACJM-CHWSQXEVSA-N 0 1 290.432 3.632 20 0 CHADMN CCc1ccc(C(C)(C)NCc2n[nH]c(C(C)C)n2)cc1 ZINC000293228138 523902317 /nfs/dbraw/zinc/90/23/17/523902317.db2.gz QGVQPHLJJAHMJX-UHFFFAOYSA-N 0 1 286.423 3.515 20 0 CHADMN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NCc1conc1C ZINC000339270814 523957183 /nfs/dbraw/zinc/95/71/83/523957183.db2.gz JYSVGWKZHKPDBU-ABAIWWIYSA-N 0 1 294.782 3.502 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(Cl)nc2)cc1C ZINC000264031136 524007385 /nfs/dbraw/zinc/00/73/85/524007385.db2.gz AASUKUFQAONBND-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2cccnc2)cc1C ZINC000264041170 524010395 /nfs/dbraw/zinc/01/03/95/524010395.db2.gz DSYCAWHHKUEBTE-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN CCc1ccc([C@H](C)NCc2cccc3c2OCO3)cc1 ZINC000036325048 524046506 /nfs/dbraw/zinc/04/65/06/524046506.db2.gz POGDKJNJWYVJLC-ZDUSSCGKSA-N 0 1 283.371 3.829 20 0 CHADMN COc1ccc(CNCc2ccc(C)o2)c(C(F)(F)F)c1 ZINC000102429396 524073128 /nfs/dbraw/zinc/07/31/28/524073128.db2.gz QJVWKZKPXRPWQQ-UHFFFAOYSA-N 0 1 299.292 3.905 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc(C)oc2C)cc1F ZINC000044730002 524074318 /nfs/dbraw/zinc/07/43/18/524074318.db2.gz VUBIVZHENLOZOJ-NSHDSACASA-N 0 1 277.339 3.895 20 0 CHADMN C[C@@H](C(=O)NO[C@@H]1CCCCO1)c1ccc2ccccc2c1 ZINC000084591071 524221207 /nfs/dbraw/zinc/22/12/07/524221207.db2.gz NABIBRVSIBDHDF-CXAGYDPISA-N 0 1 299.370 3.518 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1CCC(C)(C)C1 ZINC000076014457 524232333 /nfs/dbraw/zinc/23/23/33/524232333.db2.gz IPXQSMWXIYASNA-UHFFFAOYSA-N 0 1 288.435 3.789 20 0 CHADMN C[C@@H]1CCC[C@@H](CC(=O)Nc2ccccc2-c2nnc[nH]2)C1 ZINC000364816601 524283082 /nfs/dbraw/zinc/28/30/82/524283082.db2.gz WZUWZYJPZXKUEV-CHWSQXEVSA-N 0 1 298.390 3.627 20 0 CHADMN COc1ccccc1/C=C/CN1CCC[C@@H]1c1ccncc1 ZINC000289729756 524317455 /nfs/dbraw/zinc/31/74/55/524317455.db2.gz HTNNZYVZPNWGFL-WEBJUUICSA-N 0 1 294.398 3.941 20 0 CHADMN Cc1ccc(CCc2nc([C@H](N)CC(C)C)no2)c(C)c1 ZINC000339397702 524351127 /nfs/dbraw/zinc/35/11/27/524351127.db2.gz SSOTZHKIKGVAKW-OAHLLOKOSA-N 0 1 287.407 3.518 20 0 CHADMN Cc1ccc(CN(CCC(F)(F)F)CC2CC2)nc1 ZINC000156721316 524405528 /nfs/dbraw/zinc/40/55/28/524405528.db2.gz VPQJPEQDVLKVRN-UHFFFAOYSA-N 0 1 272.314 3.554 20 0 CHADMN C[C@@H]1CCN(Cc2ccccn2)[C@H](c2ccco2)C1 ZINC000076184233 524514761 /nfs/dbraw/zinc/51/47/61/524514761.db2.gz BXMPQRZSWPUYID-HIFRSBDPSA-N 0 1 256.349 3.648 20 0 CHADMN Cc1ccc(CNCc2ccn(C)c2)c(OC(C)(C)C)c1 ZINC000126483089 524585785 /nfs/dbraw/zinc/58/57/85/524585785.db2.gz WCJKVHXXFCZJOZ-UHFFFAOYSA-N 0 1 286.419 3.801 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(Cl)cn2)s1 ZINC000274925830 524591752 /nfs/dbraw/zinc/59/17/52/524591752.db2.gz PXGWPVIOYAMAQI-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN C[C@@H](CN1CCCC[C@@H]1c1ncc[nH]1)c1ccc(F)cc1 ZINC000275766913 524609282 /nfs/dbraw/zinc/60/92/82/524609282.db2.gz VOIIJGAWYOEHDC-XJKSGUPXSA-N 0 1 287.382 3.880 20 0 CHADMN Cc1cc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c(C)s1 ZINC000290094909 524706634 /nfs/dbraw/zinc/70/66/34/524706634.db2.gz ZSYXYFMZERKWNF-CQSZACIVSA-N 0 1 295.839 3.662 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000120216296 524725565 /nfs/dbraw/zinc/72/55/65/524725565.db2.gz NCNQBQFWCCVBCZ-CHWSQXEVSA-N 0 1 299.370 3.836 20 0 CHADMN Cc1cc(CNC2CC(F)(F)C2)c(OC(F)F)cc1C ZINC000277740945 524754157 /nfs/dbraw/zinc/75/41/57/524754157.db2.gz VITDEFWCAWTNIX-UHFFFAOYSA-N 0 1 291.288 3.792 20 0 CHADMN Cc1cc(CNCc2ccc(F)nc2C)ccc1Cl ZINC000278707611 524760120 /nfs/dbraw/zinc/76/01/20/524760120.db2.gz KBBOORBAZNAEHD-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN Cc1cc(CN[C@@H](CC(C)C)c2cccs2)on1 ZINC000125625119 524768727 /nfs/dbraw/zinc/76/87/27/524768727.db2.gz HNPFSFPXIFCDCO-ZDUSSCGKSA-N 0 1 264.394 3.922 20 0 CHADMN Cc1ccc(F)c(CNCc2ccc(C(C)(C)O)cc2)c1 ZINC000274840578 524810935 /nfs/dbraw/zinc/81/09/35/524810935.db2.gz WAVOVDGKGSSMQV-UHFFFAOYSA-N 0 1 287.378 3.651 20 0 CHADMN COc1ccncc1CN[C@H]1CC[C@H](C)c2ccccc21 ZINC000340408794 524862686 /nfs/dbraw/zinc/86/26/86/524862686.db2.gz QRGHNSLPFMYIOP-GUYCJALGSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1cc(Cl)cc(CN[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000339327980 524874198 /nfs/dbraw/zinc/87/41/98/524874198.db2.gz AYCXQNXXVDQPAB-LLVKDONJSA-N 0 1 292.814 3.741 20 0 CHADMN COc1cncc(CNC2(c3cccc(Cl)c3)CC2)c1 ZINC000290131762 524923501 /nfs/dbraw/zinc/92/35/01/524923501.db2.gz ZNERDDVDNIILQQ-UHFFFAOYSA-N 0 1 288.778 3.523 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)c1ccc(Cl)o1 ZINC000353860100 534821331 /nfs/dbraw/zinc/82/13/31/534821331.db2.gz UQLJTMNDUXWOAN-UHFFFAOYSA-N 0 1 290.077 3.683 20 0 CHADMN Cc1cccc2c1[C@@H](C)C[C@@H]2NCc1ncccc1N(C)C ZINC000289556048 524962616 /nfs/dbraw/zinc/96/26/16/524962616.db2.gz AADBBXMSGAWBDE-HOCLYGCPSA-N 0 1 295.430 3.794 20 0 CHADMN Cc1cc(F)ccc1CNCc1ccc(F)c(F)c1 ZINC000050577609 524978261 /nfs/dbraw/zinc/97/82/61/524978261.db2.gz IUMZORTTWVKRPF-UHFFFAOYSA-N 0 1 265.278 3.702 20 0 CHADMN COc1ncc(CN([C@@H](C)c2ccccc2)C2CC2)c(C)n1 ZINC000337148631 525008318 /nfs/dbraw/zinc/00/83/18/525008318.db2.gz HINVCZAMHCTMPH-AWEZNQCLSA-N 0 1 297.402 3.519 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N2CCC[C@@H]2C)n1 ZINC000074991926 525023426 /nfs/dbraw/zinc/02/34/26/525023426.db2.gz XANWZYKMMCMRBP-STQMWFEESA-N 0 1 271.364 3.590 20 0 CHADMN Cc1ccccc1/C=C/c1nc([C@@H](N)CC(C)C)no1 ZINC000339394908 525039593 /nfs/dbraw/zinc/03/95/93/525039593.db2.gz QXTJVCSSUHEKIC-VFNNOXKTSA-N 0 1 271.364 3.594 20 0 CHADMN COc1ccc([C@@H](C)NCc2coc3ccccc23)cc1O ZINC000340424196 525157667 /nfs/dbraw/zinc/15/76/67/525157667.db2.gz GSHFXZRJWVWVFR-GFCCVEGCSA-N 0 1 297.354 3.998 20 0 CHADMN C[C@H](NC1(C(F)F)CC1)C1CCC(F)(F)CC1 ZINC000337493276 525284521 /nfs/dbraw/zinc/28/45/21/525284521.db2.gz BAOYXQTZCIQWAE-QMMMGPOBSA-N 0 1 253.283 3.588 20 0 CHADMN Cc1cc(NCc2nnc(C3CC3)o2)c2cc(F)ccc2n1 ZINC000278654309 525284766 /nfs/dbraw/zinc/28/47/66/525284766.db2.gz DVEDVDHSZYBJMX-UHFFFAOYSA-N 0 1 298.321 3.555 20 0 CHADMN C[C@H](NC1CC(F)(F)C1)c1ccccc1OC(F)F ZINC000277104123 525288214 /nfs/dbraw/zinc/28/82/14/525288214.db2.gz LRPBSEORMYOZJO-QMMMGPOBSA-N 0 1 277.261 3.736 20 0 CHADMN C[C@H](NCC1CCCCCC1)c1nc(C(C)(C)C)no1 ZINC000119000283 525324652 /nfs/dbraw/zinc/32/46/52/525324652.db2.gz QJJATGMYXTUMAC-LBPRGKRZSA-N 0 1 279.428 3.988 20 0 CHADMN Cc1ccccc1[C@@H](CC(C)C)NCc1nccn1C ZINC000264871111 525367016 /nfs/dbraw/zinc/36/70/16/525367016.db2.gz RRQAAWCYQGDVBC-MRXNPFEDSA-N 0 1 271.408 3.606 20 0 CHADMN Cc1ccccc1[C@H]1CCN([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000263737308 525439308 /nfs/dbraw/zinc/43/93/08/525439308.db2.gz QWSKITGVIFPVOL-ZFWWWQNUSA-N 0 1 297.402 3.806 20 0 CHADMN C[C@@H]1C[C@H](N[C@H](CCO)c2ccco2)c2ccccc21 ZINC000290013318 525447100 /nfs/dbraw/zinc/44/71/00/525447100.db2.gz BVJGBSLUWAQBEB-WQVCFCJDSA-N 0 1 271.360 3.541 20 0 CHADMN C[C@H](NCc1ccccc1OC(F)(F)F)c1ccncc1 ZINC000020121116 525461326 /nfs/dbraw/zinc/46/13/26/525461326.db2.gz LCDPUXMPVYMGOG-NSHDSACASA-N 0 1 296.292 3.831 20 0 CHADMN Cc1cc([C@@H](C)NC[C@@H](C)Oc2cccc(Cl)c2)no1 ZINC000290567737 525462711 /nfs/dbraw/zinc/46/27/11/525462711.db2.gz DZSRGBVEDJZUTD-VXGBXAGGSA-N 0 1 294.782 3.755 20 0 CHADMN C[C@H](NCc1n[nH]c(C(C)(C)C)n1)c1cc2ccccc2o1 ZINC000292801237 525487374 /nfs/dbraw/zinc/48/73/74/525487374.db2.gz BNHZGANLWXLRKP-NSHDSACASA-N 0 1 298.390 3.699 20 0 CHADMN C[C@@H](NCc1cc(Cl)cs1)c1ccccn1 ZINC000086332193 525514011 /nfs/dbraw/zinc/51/40/11/525514011.db2.gz VLKQSTQEVCNIKT-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2nccnc2C)ccc1F ZINC000275882092 525529473 /nfs/dbraw/zinc/52/94/73/525529473.db2.gz PIFFUPPUWLBDPS-WCQYABFASA-N 0 1 273.355 3.644 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2C[C@H](c3ccccc3F)C2)no1 ZINC000290552229 525532495 /nfs/dbraw/zinc/53/24/95/525532495.db2.gz DDHZVVYNSDRPKL-AVGNSLFASA-N 0 1 274.339 3.719 20 0 CHADMN C[C@@H](NCc1ccccc1OC(F)(F)F)c1ccncc1 ZINC000020121114 525537758 /nfs/dbraw/zinc/53/77/58/525537758.db2.gz LCDPUXMPVYMGOG-LLVKDONJSA-N 0 1 296.292 3.831 20 0 CHADMN C[C@@H](NCc1ccccc1OC(F)(F)F)c1cccnc1 ZINC000020127516 525538785 /nfs/dbraw/zinc/53/87/85/525538785.db2.gz ZRXFHIMSARPKGL-LLVKDONJSA-N 0 1 296.292 3.831 20 0 CHADMN C[C@@H](NCc1cccn1C)c1ccccc1Br ZINC000049138026 525540895 /nfs/dbraw/zinc/54/08/95/525540895.db2.gz RLOWMSLBPVMMHP-LLVKDONJSA-N 0 1 293.208 3.638 20 0 CHADMN C[C@@H](NCc1cnc([C@H](C)O)s1)c1cccc(Cl)c1 ZINC000290024742 525551021 /nfs/dbraw/zinc/55/10/21/525551021.db2.gz HOQUBHLNOSZPEN-ZJUUUORDSA-N 0 1 296.823 3.701 20 0 CHADMN C[C@@H](NCc1cnc[nH]1)c1ccc(Cl)cc1Cl ZINC000054763241 525551283 /nfs/dbraw/zinc/55/12/83/525551283.db2.gz PPPZCRJARRXFDT-MRVPVSSYSA-N 0 1 270.163 3.567 20 0 CHADMN C[C@H](N[C@@H]1CCCc2ccc(O)cc21)c1ccccn1 ZINC000235517522 525563399 /nfs/dbraw/zinc/56/33/99/525563399.db2.gz SSYYSQFEGFGOML-YVEFUNNKSA-N 0 1 268.360 3.515 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccsc1)CCO2 ZINC000061361641 525578491 /nfs/dbraw/zinc/57/84/91/525578491.db2.gz TVFTZLRDWBRCLV-NHYWBVRUSA-N 0 1 289.400 3.931 20 0 CHADMN C[C@H](N[C@H]1CCC(C)(C)C[C@@H]1C)c1nc(C2CC2)no1 ZINC000120904514 525604574 /nfs/dbraw/zinc/60/45/74/525604574.db2.gz DYCXCGGPKRDQTB-GVXVVHGQSA-N 0 1 277.412 3.812 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2n[nH]cc2c1)c1ccncc1F ZINC000340397907 525611624 /nfs/dbraw/zinc/61/16/24/525611624.db2.gz VEOMBUBKLHLUQL-WDEREUQCSA-N 0 1 284.338 3.509 20 0 CHADMN C[C@H](N[C@H]1CCCc2c1cnn2C)c1cc2ccccc2o1 ZINC000122087063 525614101 /nfs/dbraw/zinc/61/41/01/525614101.db2.gz BZHXXACYBZLRNX-WFASDCNBSA-N 0 1 295.386 3.895 20 0 CHADMN C[C@H](N[C@H]1CCCc2sccc21)c1ccccn1 ZINC000061325000 525614938 /nfs/dbraw/zinc/61/49/38/525614938.db2.gz DYXSCPYCBMYNOW-FZMZJTMJSA-N 0 1 258.390 3.871 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncs1)c1ccc(F)c(F)c1 ZINC000128083113 525619929 /nfs/dbraw/zinc/61/99/29/525619929.db2.gz MJFAEZPJYCZACE-BDAKNGLRSA-N 0 1 268.332 3.833 20 0 CHADMN C[C@H](N[C@H]1CCSc2ccc(Cl)cc21)c1cn[nH]c1 ZINC000222506313 525629292 /nfs/dbraw/zinc/62/92/92/525629292.db2.gz PXFFICIYHUUROM-ZANVPECISA-N 0 1 293.823 3.951 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000338676811 525630720 /nfs/dbraw/zinc/63/07/20/525630720.db2.gz KREAPZKHISWFEI-BXUZGUMPSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CC=C(C(C)(C)C)CC2)c1 ZINC000340364986 525631445 /nfs/dbraw/zinc/63/14/45/525631445.db2.gz GLSOPXZPSFPZAL-UHFFFAOYSA-N 0 1 297.402 3.690 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c1cnn2C)c1ccccc1Cl ZINC000037051718 525637770 /nfs/dbraw/zinc/63/77/70/525637770.db2.gz SUXBYZYGPJYFQG-IAQYHMDHSA-N 0 1 289.810 3.802 20 0 CHADMN C[C@H](N[C@H]1C[C@H](c2ccccc2F)C1)c1nccs1 ZINC000280939906 525640008 /nfs/dbraw/zinc/64/00/08/525640008.db2.gz VYRGXTYDKLGOQL-SRVKXCTJSA-N 0 1 276.380 3.879 20 0 CHADMN Cc1c(C(=O)Nc2ccc3nc[nH]c3c2)ccn1C(C)C ZINC000339344058 525657667 /nfs/dbraw/zinc/65/76/67/525657667.db2.gz LLGHVXCPDQWBHX-UHFFFAOYSA-N 0 1 282.347 3.506 20 0 CHADMN C[C@@H](N[C@H]1C[C@H](C)Sc2sccc21)c1cnn(C)c1 ZINC000163872280 525695640 /nfs/dbraw/zinc/69/56/40/525695640.db2.gz WNCQSVPZHKKVFN-CWSCBRNRSA-N 0 1 293.461 3.758 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000271406907 525742619 /nfs/dbraw/zinc/74/26/19/525742619.db2.gz AANKMUORWACEDM-OLZOCXBDSA-N 0 1 272.396 3.648 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2nccnc2C)cc1 ZINC000187798902 525747058 /nfs/dbraw/zinc/74/70/58/525747058.db2.gz AGKXUTVKBXLOCE-TZMCWYRMSA-N 0 1 255.365 3.505 20 0 CHADMN Cc1ccncc1CNCc1ccc(C2CC2)cc1F ZINC000291782685 525747756 /nfs/dbraw/zinc/74/77/56/525747756.db2.gz VBBNKPHJXKCZCC-UHFFFAOYSA-N 0 1 270.351 3.696 20 0 CHADMN Cc1ccncc1CN[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000279807884 525750534 /nfs/dbraw/zinc/75/05/34/525750534.db2.gz FLFOKVCSHABHCV-KRWDZBQOSA-N 0 1 294.402 3.753 20 0 CHADMN Cc1ccc([C@@H](N[C@@H]2CCCSC2)c2ccccn2)cc1 ZINC000279721268 525775155 /nfs/dbraw/zinc/77/51/55/525775155.db2.gz UREQURIBSONVFI-SJLPKXTDSA-N 0 1 298.455 3.965 20 0 CHADMN Cc1ccc([C@@H](O)CN2CC(C)(C)[C@@H]2c2cccnc2)cc1 ZINC000292016596 525778091 /nfs/dbraw/zinc/77/80/91/525778091.db2.gz ZKAOWIBENFBXPY-ROUUACIJSA-N 0 1 296.414 3.507 20 0 CHADMN CS[C@H](C)CNCc1csc(-c2ccc(F)cc2)n1 ZINC000127987853 525885270 /nfs/dbraw/zinc/88/52/70/525885270.db2.gz VIDWAPPLIXTTKT-SNVBAGLBSA-N 0 1 296.436 3.790 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc(N3CCCC3=O)cc2)o1 ZINC000120456031 525928219 /nfs/dbraw/zinc/92/82/19/525928219.db2.gz MZXZMZPHUNWYOZ-AWEZNQCLSA-N 0 1 298.386 3.566 20 0 CHADMN Cc1ccc([C@H](C)NCc2cn3ccc(C)cc3n2)s1 ZINC000268822317 525931264 /nfs/dbraw/zinc/93/12/64/525931264.db2.gz ADECMCRRWKOAIT-ZDUSSCGKSA-N 0 1 285.416 3.863 20 0 CHADMN Cc1ccc([C@H](N[C@H]2CCCSC2)c2ccccn2)cc1 ZINC000279721271 525972217 /nfs/dbraw/zinc/97/22/17/525972217.db2.gz UREQURIBSONVFI-WMZOPIPTSA-N 0 1 298.455 3.965 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000222482702 525987141 /nfs/dbraw/zinc/98/71/41/525987141.db2.gz DOZGAGUVLMPQIA-NWDGAFQWSA-N 0 1 269.348 3.876 20 0 CHADMN Cc1cnc(CN(Cc2ccccc2)[C@@H](C)C2CC2)nc1 ZINC000340656958 526009869 /nfs/dbraw/zinc/00/98/69/526009869.db2.gz FLMCCYVPSJMPTO-HNNXBMFYSA-N 0 1 281.403 3.586 20 0 CHADMN Cc1ccc([C@H]2CCN(Cc3cscn3)C2)c(C)c1 ZINC000280209192 526016579 /nfs/dbraw/zinc/01/65/79/526016579.db2.gz AAIDPFNUPXLXNC-AWEZNQCLSA-N 0 1 272.417 3.749 20 0 CHADMN Cc1c[nH]nc1CN(C(C)C)[C@H](C)c1ccccc1 ZINC000292862652 526019688 /nfs/dbraw/zinc/01/96/88/526019688.db2.gz VMSUXVKXUQYCKB-CQSZACIVSA-N 0 1 257.381 3.690 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](CC(C)(C)C)c1ccccc1 ZINC000289903499 526029572 /nfs/dbraw/zinc/02/95/72/526029572.db2.gz NPAZTFWJKJIPRW-HNNXBMFYSA-N 0 1 271.408 3.985 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(Cl)c(OC(F)F)c1 ZINC000289647198 526035327 /nfs/dbraw/zinc/03/53/27/526035327.db2.gz YCVMDIKALCDHSC-UHFFFAOYSA-N 0 1 287.697 3.585 20 0 CHADMN Cc1c[nH]nc1CN[C@H]1CCc2ccc(C(C)C)cc21 ZINC000289607023 526035356 /nfs/dbraw/zinc/03/53/56/526035356.db2.gz VKZATPIHBBSNEB-INIZCTEOSA-N 0 1 269.392 3.619 20 0 CHADMN C[C@@H](c1ccc(C(C)(C)C)cc1)N(C)Cc1cnccn1 ZINC000080966944 526039801 /nfs/dbraw/zinc/03/98/01/526039801.db2.gz ASQFQWLVMJKSQB-AWEZNQCLSA-N 0 1 283.419 3.967 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N(C)Cc1ccncc1 ZINC000130191487 526050238 /nfs/dbraw/zinc/05/02/38/526050238.db2.gz SFNWMMOAYUGQHW-GFCCVEGCSA-N 0 1 260.768 3.928 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC(OCC2CC2)CC1 ZINC000374121634 526058146 /nfs/dbraw/zinc/05/81/46/526058146.db2.gz NSZFVMNOKSUXGU-LBPRGKRZSA-N 0 1 295.373 3.917 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000227826140 526070390 /nfs/dbraw/zinc/07/03/90/526070390.db2.gz AGXDWFUDJKQZAT-ACJLOTCBSA-N 0 1 283.371 3.697 20 0 CHADMN CSc1ccc([C@H](C)NCc2ncccc2C)cc1 ZINC000071339463 526074012 /nfs/dbraw/zinc/07/40/12/526074012.db2.gz AUIUFDNFMLBZCT-ZDUSSCGKSA-N 0 1 272.417 3.963 20 0 CHADMN C[C@@H](c1ccccc1)N1CCO[C@H](c2cccs2)C1 ZINC000157372800 526093073 /nfs/dbraw/zinc/09/30/73/526093073.db2.gz WRXOSZDDNWDNGW-ZFWWWQNUSA-N 0 1 273.401 3.883 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C(=O)CC(C)C)[nH]c2c1 ZINC000299407914 526106119 /nfs/dbraw/zinc/10/61/19/526106119.db2.gz LOGAOUUWTOTHFT-OAHLLOKOSA-N 0 1 285.391 3.581 20 0 CHADMN C[C@@H](c1cccnc1)N(C)Cc1cnc2ccccc2c1 ZINC000337194667 526119127 /nfs/dbraw/zinc/11/91/27/526119127.db2.gz WJKDEZCHJFNZEW-AWEZNQCLSA-N 0 1 277.371 3.823 20 0 CHADMN C[C@H](c1nc2ccccc2n1C(F)F)N1CC[C@@H](C)C1 ZINC000299628903 526177305 /nfs/dbraw/zinc/17/73/05/526177305.db2.gz KUNZMRHVQYWWMP-GHMZBOCLSA-N 0 1 279.334 3.834 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC2(CC2)CC1 ZINC000366662367 526181691 /nfs/dbraw/zinc/18/16/91/526181691.db2.gz BMTJBBHCAZNTEH-LBPRGKRZSA-N 0 1 262.397 3.909 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1ccc(C)cn1 ZINC000337269213 526186503 /nfs/dbraw/zinc/18/65/03/526186503.db2.gz YMSXBCAAFROFOY-CYBMUJFWSA-N 0 1 272.417 3.963 20 0 CHADMN C[C@H](c1nnc(-c2ccccc2)o1)N(C)CC(C)(C)C ZINC000363455964 526187058 /nfs/dbraw/zinc/18/70/58/526187058.db2.gz IUGVHAYXOZGDRK-GFCCVEGCSA-N 0 1 273.380 3.776 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ncccc1N(C)C)CCC2 ZINC000289982693 526209732 /nfs/dbraw/zinc/20/97/32/526209732.db2.gz XZAFMLVKMIKSMA-QGZVFWFLSA-N 0 1 295.430 3.623 20 0 CHADMN C[C@H]1CC/C(=C\C(=O)Nc2ccccc2-c2cn[nH]c2)C1 ZINC000275987834 526232161 /nfs/dbraw/zinc/23/21/61/526232161.db2.gz GDSTYKCHERLYOJ-OQZOHAQUSA-N 0 1 281.359 3.762 20 0 CHADMN Cc1ccc(C(C)(C)NCc2cnc(C(C)C)s2)cn1 ZINC000353157870 526246335 /nfs/dbraw/zinc/24/63/35/526246335.db2.gz YCMBWOUYCIHALV-UHFFFAOYSA-N 0 1 289.448 3.995 20 0 CHADMN FC(F)c1ccnc(CNCCC2CCCCCC2)n1 ZINC000290125891 526267929 /nfs/dbraw/zinc/26/79/29/526267929.db2.gz JHIFHPAZIBALRK-UHFFFAOYSA-N 0 1 283.366 3.864 20 0 CHADMN Cc1csc(C(C)(C)NCc2ccc3c(c2)CCC3)n1 ZINC000080518060 526321367 /nfs/dbraw/zinc/32/13/67/526321367.db2.gz HJSNIPZHJCCSIJ-UHFFFAOYSA-N 0 1 286.444 3.965 20 0 CHADMN Fc1ccc(CN2CCC[C@@H](c3nccs3)C2)cc1F ZINC000157007179 526332751 /nfs/dbraw/zinc/33/27/51/526332751.db2.gz QDIXTQGKMQJQFZ-GFCCVEGCSA-N 0 1 294.370 3.801 20 0 CHADMN Cc1csc(CNC(C)(C)c2ccccc2C)n1 ZINC000293140765 526357223 /nfs/dbraw/zinc/35/72/23/526357223.db2.gz UCMSMGNXOYREAX-UHFFFAOYSA-N 0 1 260.406 3.785 20 0 CHADMN Oc1cccc(CNCc2cccc3cc[nH]c32)c1Cl ZINC000339369738 526360035 /nfs/dbraw/zinc/36/00/35/526360035.db2.gz WNRQSBHTANZVNB-UHFFFAOYSA-N 0 1 286.762 3.817 20 0 CHADMN Oc1cccc2c1CC[C@H]2NCc1ccc(Cl)c(F)c1 ZINC000105486762 526369118 /nfs/dbraw/zinc/36/91/18/526369118.db2.gz VTZMFEGUFLNHQD-OAHLLOKOSA-N 0 1 291.753 3.962 20 0 CHADMN O=c1[nH]c2ccccc2cc1CN[C@H]1CCCc2occc21 ZINC000120787897 526379094 /nfs/dbraw/zinc/37/90/94/526379094.db2.gz UAELKDKSXLFMPA-INIZCTEOSA-N 0 1 294.354 3.701 20 0 CHADMN c1cc(CN[C@@H](c2ccccc2)C2CCCC2)on1 ZINC000264719623 526428149 /nfs/dbraw/zinc/42/81/49/526428149.db2.gz NABXYXDFAPXJFF-INIZCTEOSA-N 0 1 256.349 3.696 20 0 CHADMN Cc1cscc1CNCc1ccccc1Cl ZINC000087309577 526467006 /nfs/dbraw/zinc/46/70/06/526467006.db2.gz HQVZBRGYQALOHO-UHFFFAOYSA-N 0 1 251.782 4.000 20 0 CHADMN Cc1n[nH]cc1CN[C@@H]1CCCc2sc(Cl)cc21 ZINC000128011483 526553323 /nfs/dbraw/zinc/55/33/23/526553323.db2.gz MJRNCEFZSPHRRA-LLVKDONJSA-N 0 1 281.812 3.600 20 0 CHADMN CC(C)(C)OCc1cc(CN[C@@H]2CCC23CCCC3)no1 ZINC000353323086 526561626 /nfs/dbraw/zinc/56/16/26/526561626.db2.gz ISEMUROMSUKRQA-OAHLLOKOSA-N 0 1 292.423 3.802 20 0 CHADMN c1coc([C@H](N[C@@H]2CCCSC2)c2ccccc2)c1 ZINC000061577616 526570191 /nfs/dbraw/zinc/57/01/91/526570191.db2.gz JKGLJIMSYLIPTH-GDBMZVCRSA-N 0 1 273.401 3.854 20 0 CHADMN Cc1nocc1CN[C@@H](CC(C)C)c1cccs1 ZINC000339204820 526694195 /nfs/dbraw/zinc/69/41/95/526694195.db2.gz XSTOCICXRQZEJB-ZDUSSCGKSA-N 0 1 264.394 3.922 20 0 CHADMN Cc1sc2nc([C@H](C)N(C)CC(C)C)nc(N)c2c1C ZINC000299359467 526895541 /nfs/dbraw/zinc/89/55/41/526895541.db2.gz UGNZJQFOLWSLTM-JTQLQIEISA-N 0 1 292.452 3.539 20 0 CHADMN Cc1sccc1CNCc1ccc(OC(C)(C)C)nc1 ZINC000339340966 526915666 /nfs/dbraw/zinc/91/56/66/526915666.db2.gz BMWJTXZIYMAVRP-UHFFFAOYSA-N 0 1 290.432 3.919 20 0 CHADMN Clc1cc2c(s1)CCC[C@H]2NCc1ccncc1 ZINC000127431663 526931008 /nfs/dbraw/zinc/93/10/08/526931008.db2.gz ZQYYWYWFWMZEFB-GFCCVEGCSA-N 0 1 278.808 3.964 20 0 CHADMN Clc1cccc(CN2CCC3(CCC3)CC2)n1 ZINC000308739370 526974034 /nfs/dbraw/zinc/97/40/34/526974034.db2.gz VBIVXPKBMVEGTM-UHFFFAOYSA-N 0 1 250.773 3.501 20 0 CHADMN Clc1ccsc1CN1CCC(c2cn[nH]c2)CC1 ZINC000365895922 526994417 /nfs/dbraw/zinc/99/44/17/526994417.db2.gz MZKLOXKGQKJFEM-UHFFFAOYSA-N 0 1 281.812 3.504 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@@H](C)c1cccc(O)c1)CCC2 ZINC000363783073 527109789 /nfs/dbraw/zinc/10/97/89/527109789.db2.gz MKFUNKHWRMHHNJ-HZMBPMFUSA-N 0 1 288.416 3.885 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@@H]2CC(C)C)[nH]1 ZINC000338583407 527151798 /nfs/dbraw/zinc/15/17/98/527151798.db2.gz ZZOJQGFNMNJBDF-CYBMUJFWSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@@H]2CC(C)(C)C)[nH]1 ZINC000338580031 527152829 /nfs/dbraw/zinc/15/28/29/527152829.db2.gz JYRSQWJBGYBAFC-CYBMUJFWSA-N 0 1 299.418 3.912 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@H]3CCC[C@H](C)CC3)c2[nH]1 ZINC000338613272 527154977 /nfs/dbraw/zinc/15/49/77/527154977.db2.gz YFSHJIXLAOEHIU-AAEUAGOBSA-N 0 1 285.391 3.570 20 0 CHADMN Cc1nc2ccccc2cc1-c1nc([C@H](N)CC(C)C)no1 ZINC000339386309 527160302 /nfs/dbraw/zinc/16/03/02/527160302.db2.gz AXMSMGVDPVKFKE-CQSZACIVSA-N 0 1 296.374 3.639 20 0 CHADMN Cc1ncc(CN[C@H](C)c2ccc(OC(F)F)cc2)s1 ZINC000040437495 527276741 /nfs/dbraw/zinc/27/67/41/527276741.db2.gz MSGUAGZZSKEMAY-SECBINFHSA-N 0 1 298.358 3.904 20 0 CHADMN Cc1ncc(CN[C@H](C)c2cnn(C(C)(C)C)c2C)s1 ZINC000276318250 527278734 /nfs/dbraw/zinc/27/87/34/527278734.db2.gz GNGAKJXAEXFRDC-SNVBAGLBSA-N 0 1 292.452 3.562 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)c2csc(C)c2C)c1 ZINC000336514265 527321966 /nfs/dbraw/zinc/32/19/66/527321966.db2.gz SQERJBNLXIRZQZ-UHFFFAOYSA-N 0 1 289.356 3.525 20 0 CHADMN O=C(Nc1cccc(C2CCC2)c1)[C@@H]1CCCc2[nH]ncc21 ZINC000291286532 527335315 /nfs/dbraw/zinc/33/53/15/527335315.db2.gz PVXZSWCJTCXSCV-OAHLLOKOSA-N 0 1 295.386 3.736 20 0 CHADMN O=C(Nc1cccc(C2CCC2)c1)[C@H]1CCCc2[nH]ncc21 ZINC000291286516 527335639 /nfs/dbraw/zinc/33/56/39/527335639.db2.gz PVXZSWCJTCXSCV-HNNXBMFYSA-N 0 1 295.386 3.736 20 0 CHADMN Cc1nccc(CN[C@@H](C)c2ccc(F)c3ccccc32)n1 ZINC000339404084 527337965 /nfs/dbraw/zinc/33/79/65/527337965.db2.gz PDCMTFPKGXGVMS-LBPRGKRZSA-N 0 1 295.361 3.928 20 0 CHADMN Cc1nccc(NC[C@H]2CCCCS2)c1Cl ZINC000309331179 527350238 /nfs/dbraw/zinc/35/02/38/527350238.db2.gz IVMDSUWVPIVZRX-SNVBAGLBSA-N 0 1 256.802 3.741 20 0 CHADMN Nc1cc(CN2CCCC[C@@H]2c2ccc(F)cc2)ccn1 ZINC000299262601 527449123 /nfs/dbraw/zinc/44/91/23/527449123.db2.gz LLBPHOURNJJPCN-MRXNPFEDSA-N 0 1 285.366 3.530 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000187720892 527454495 /nfs/dbraw/zinc/45/44/95/527454495.db2.gz MKVBKYOZNIMOPD-DYVFJYSZSA-N 0 1 267.376 3.587 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H]1CCCc2ccc(F)cc21 ZINC000280894848 527454859 /nfs/dbraw/zinc/45/48/59/527454859.db2.gz FJJAFTCDIWADLK-WBMJQRKESA-N 0 1 285.366 3.652 20 0 CHADMN Cc1ncsc1CNCc1ccc(C(F)(F)F)cc1 ZINC000071212360 527510551 /nfs/dbraw/zinc/51/05/51/527510551.db2.gz HBYDGEJLZIBNIY-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1ccccn1 ZINC000350361830 527532897 /nfs/dbraw/zinc/53/28/97/527532897.db2.gz WYXLOKHQGILZIV-NTCAYCPXSA-N 0 1 252.361 3.617 20 0 CHADMN OCC[C@@H](NCc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000275025216 527561575 /nfs/dbraw/zinc/56/15/75/527561575.db2.gz UNYYLVQSJWMYIZ-MRXNPFEDSA-N 0 1 293.769 3.692 20 0 CHADMN Cn1ncc2c1CCC[C@H]2NCc1ccc(C2CC2)cc1F ZINC000293734146 527580343 /nfs/dbraw/zinc/58/03/43/527580343.db2.gz QFBUCTNYTOCEDW-QGZVFWFLSA-N 0 1 299.393 3.604 20 0 CHADMN CC(C)CC[C@@H]1CCCCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC000352237544 527816064 /nfs/dbraw/zinc/81/60/64/527816064.db2.gz LPSYACVGPYMREH-AWEZNQCLSA-N 0 1 289.423 3.718 20 0 CHADMN CC(C)[C@H]1N(Cc2cnn(C(C)(C)C)c2)CC1(C)C ZINC000353747778 527897033 /nfs/dbraw/zinc/89/70/33/527897033.db2.gz QCZDWCOYPUKLJK-CQSZACIVSA-N 0 1 263.429 3.505 20 0 CHADMN CC(C)COc1cccc(CN(C)Cc2ccccn2)c1 ZINC000350454172 528169093 /nfs/dbraw/zinc/16/90/93/528169093.db2.gz DYWGEGDYPHJWRA-UHFFFAOYSA-N 0 1 284.403 3.748 20 0 CHADMN CCCCN(C(=O)c1cccc2n[nH]cc21)[C@H](C)CC ZINC000347451361 528312867 /nfs/dbraw/zinc/31/28/67/528312867.db2.gz SJIWNZQDBWSEMX-GFCCVEGCSA-N 0 1 273.380 3.604 20 0 CHADMN CCOC(=O)c1coc(CN(C)[C@@H](C)c2ccccc2)c1 ZINC000353375406 528324004 /nfs/dbraw/zinc/32/40/04/528324004.db2.gz AOVNIRSQMKHDIT-ZDUSSCGKSA-N 0 1 287.359 3.649 20 0 CHADMN CCOC(=O)c1coc(CN2CCC[C@H]2c2ccccc2)c1 ZINC000353381271 528326264 /nfs/dbraw/zinc/32/62/64/528326264.db2.gz MRVNXHWUXHRRDS-KRWDZBQOSA-N 0 1 299.370 3.793 20 0 CHADMN CC(C)Cc1ncc(CN2CCCO[C@H](C(C)C)C2)s1 ZINC000354788315 528669986 /nfs/dbraw/zinc/66/99/86/528669986.db2.gz FOTDKCORPBPUFS-HNNXBMFYSA-N 0 1 296.480 3.589 20 0 CHADMN CCOCCN(CC)Cc1cscc1C(F)(F)F ZINC000356088470 528725813 /nfs/dbraw/zinc/72/58/13/528725813.db2.gz OXGMGYLNFBSXMQ-UHFFFAOYSA-N 0 1 281.343 3.625 20 0 CHADMN CCN(Cc1cnn(C)c1)Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000352003809 528877584 /nfs/dbraw/zinc/87/75/84/528877584.db2.gz SONHKSZJGOZNRO-UHFFFAOYSA-N 0 1 296.418 3.540 20 0 CHADMN CCN(Cc1csc(C2CC2)n1)[C@@H]1CCOC(C)(C)C1 ZINC000351924975 528881304 /nfs/dbraw/zinc/88/13/04/528881304.db2.gz JQLRIIQONWIJAB-CQSZACIVSA-N 0 1 294.464 3.800 20 0 CHADMN CC(C)N(Cc1cccs1)Cc1cncc(F)c1 ZINC000346835650 528964137 /nfs/dbraw/zinc/96/41/37/528964137.db2.gz BJYDBIZPQSYWLL-UHFFFAOYSA-N 0 1 264.369 3.693 20 0 CHADMN CC1(C)CCN(Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356128397 529011146 /nfs/dbraw/zinc/01/11/46/529011146.db2.gz PJTFVTDWSJTMKG-UHFFFAOYSA-N 0 1 273.298 3.643 20 0 CHADMN CCC1(CC)CCCN(C(=O)c2cnc(C3CC3)[nH]2)CC1 ZINC000347896667 529043732 /nfs/dbraw/zinc/04/37/32/529043732.db2.gz YLXHXEWXLWDGBO-UHFFFAOYSA-N 0 1 289.423 3.720 20 0 CHADMN CCc1cccc(Cl)c1CNCc1cccnc1 ZINC000353785444 529172689 /nfs/dbraw/zinc/17/26/89/529172689.db2.gz DKGAMDZZLGPPAW-UHFFFAOYSA-N 0 1 260.768 3.587 20 0 CHADMN CC[C@@H](NCc1cnn(-c2ccccc2)c1)c1ccncc1 ZINC000344533943 529188869 /nfs/dbraw/zinc/18/88/69/529188869.db2.gz QELSYQLQUBFYSH-GOSISDBHSA-N 0 1 292.386 3.508 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1sccc1C)c1ccccc1F ZINC000352849102 529201977 /nfs/dbraw/zinc/20/19/77/529201977.db2.gz MTFSXIFAMKWJAC-CABCVRRESA-N 0 1 293.407 3.970 20 0 CHADMN CC[C@H]1CCCN1Cc1sc(C)nc1C(F)(F)F ZINC000353537879 529221327 /nfs/dbraw/zinc/22/13/27/529221327.db2.gz FQADQDDVUJKVFO-VIFPVBQESA-N 0 1 278.343 3.845 20 0 CHADMN CC[C@H]1CCC[C@@H]1NCc1noc(-c2ccccc2C)n1 ZINC000332149630 529229175 /nfs/dbraw/zinc/22/91/75/529229175.db2.gz GXHXOJJNLQTEHB-ZFWWWQNUSA-N 0 1 285.391 3.713 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1C(=O)c1cccc2c[nH]nc21 ZINC000354543171 529267328 /nfs/dbraw/zinc/26/73/28/529267328.db2.gz WEMHCIXHBMGDMX-SWLSCSKDSA-N 0 1 285.391 3.604 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1Cc1nccn1C(F)F ZINC000353805919 529267410 /nfs/dbraw/zinc/26/74/10/529267410.db2.gz OSPJVNPJWNFPKN-NWDGAFQWSA-N 0 1 271.355 3.679 20 0 CHADMN CC[C@H]1c2ccsc2CCN1Cc1cccc(C)n1 ZINC000347355466 529345528 /nfs/dbraw/zinc/34/55/28/529345528.db2.gz BUIROYJRDFINEJ-HNNXBMFYSA-N 0 1 272.417 3.961 20 0 CHADMN CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cc(C(=O)[O-])co1 ZINC000652395322 599847084 /nfs/dbraw/zinc/84/70/84/599847084.db2.gz NRRMSVRYXGCZDN-ZDUSSCGKSA-N 0 1 291.372 3.549 20 0 CHADMN Cc1ccccc1[C@@H]1CC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000652406878 599716559 /nfs/dbraw/zinc/71/65/59/599716559.db2.gz GIURSRMCWWKJHV-UONOGXRCSA-N 0 1 299.370 3.837 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+](C)CCC1CCCCC1 ZINC000582186552 599719962 /nfs/dbraw/zinc/71/99/62/599719962.db2.gz GJTGBJNMPGJRKL-UHFFFAOYSA-N 0 1 279.380 3.688 20 0 CHADMN Cc1cc(C[N@H+](C(C)C)C2CCCCC2)oc1C(=O)[O-] ZINC000738378874 599810870 /nfs/dbraw/zinc/81/08/70/599810870.db2.gz LJYVMBSFUAEDHS-UHFFFAOYSA-N 0 1 279.380 3.829 20 0 CHADMN CC[C@H]1c2ccsc2CC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000652395322 599847083 /nfs/dbraw/zinc/84/70/83/599847083.db2.gz NRRMSVRYXGCZDN-ZDUSSCGKSA-N 0 1 291.372 3.549 20 0 CHADMN CC[C@@H](C)[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccccc1 ZINC000387228524 599848987 /nfs/dbraw/zinc/84/89/87/599848987.db2.gz MQQOTIKUSJRQAD-CYBMUJFWSA-N 0 1 287.359 3.779 20 0 CHADMN C[C@H](C[N@@H+](Cc1csc2ccccc12)C1CC1)C(=O)[O-] ZINC000736580969 599948368 /nfs/dbraw/zinc/94/83/68/599948368.db2.gz GMDLUTJYTDQROH-LLVKDONJSA-N 0 1 289.400 3.586 20 0 CHADMN C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(F)cc1C(=O)[O-] ZINC000071264887 600085443 /nfs/dbraw/zinc/08/54/43/600085443.db2.gz OTZJKCLNUSMLFL-SNVBAGLBSA-N 0 1 293.363 3.778 20 0 CHADMN O=C([O-])[C@@H]1CCCC[N@H+]1CCCc1cccc2ccccc21 ZINC000158375746 600207632 /nfs/dbraw/zinc/20/76/32/600207632.db2.gz DPMXPCDZFUVUTG-SFHVURJKSA-N 0 1 297.398 3.712 20 0 CHADMN O=C([O-])[C@H]1CCCC[N@H+]1CCCc1cccc2ccccc21 ZINC000158375601 600207640 /nfs/dbraw/zinc/20/76/40/600207640.db2.gz DPMXPCDZFUVUTG-GOSISDBHSA-N 0 1 297.398 3.712 20 0 CHADMN Cc1cc(C[N@H+]2CCCC[C@@H]2c2ccco2)oc1C(=O)[O-] ZINC000738381662 600217828 /nfs/dbraw/zinc/21/78/28/600217828.db2.gz AOSXEHBXFWKLMR-CYBMUJFWSA-N 0 1 289.331 3.606 20 0 CHADMN CC[N@@H+](CCCC(=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC000116367168 600225436 /nfs/dbraw/zinc/22/54/36/600225436.db2.gz JZXBVXVJXNLLEE-UHFFFAOYSA-N 0 1 290.190 3.680 20 0 CHADMN Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000574093252 600433029 /nfs/dbraw/zinc/43/30/29/600433029.db2.gz LLIKRCZUGUVTAP-KBPBESRZSA-N 0 1 299.370 3.664 20 0 CHADMN Cc1c2ccccc2oc1C[NH2+][C@@H](C(=O)[O-])c1ccccc1 ZINC000738202344 600439325 /nfs/dbraw/zinc/43/93/25/600439325.db2.gz OUDKBDKXIJJRLE-QGZVFWFLSA-N 0 1 295.338 3.657 20 0 CHADMN C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000736834627 600440449 /nfs/dbraw/zinc/44/04/49/600440449.db2.gz BJZYNRGZXVRLMU-GFCCVEGCSA-N 0 1 299.345 3.643 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)oc1C(=O)[O-] ZINC000579016567 600448996 /nfs/dbraw/zinc/44/89/96/600448996.db2.gz VYXBLPXKGUQAFL-KRWDZBQOSA-N 0 1 289.375 3.609 20 0 CHADMN Cc1ccc(C[N@@H+](Cc2cc(C(=O)[O-])co2)C2CC2)cc1C ZINC000738594889 600718919 /nfs/dbraw/zinc/71/89/19/600718919.db2.gz XFSXSCPBMBSVGC-UHFFFAOYSA-N 0 1 299.370 3.759 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](CCCC(=O)[O-])CC1CCC1 ZINC000133236883 600719059 /nfs/dbraw/zinc/71/90/59/600719059.db2.gz CJZRJUACNQPGLF-CQSZACIVSA-N 0 1 275.392 3.715 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)cc1 ZINC000740124541 600816525 /nfs/dbraw/zinc/81/65/25/600816525.db2.gz UUAILGLZZYQXSV-UHFFFAOYSA-N 0 1 299.345 3.689 20 0 CHADMN O=C([O-])CCC[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000608502487 600840074 /nfs/dbraw/zinc/84/00/74/600840074.db2.gz SGFYDZNBPUQKTJ-GOSISDBHSA-N 0 1 295.382 3.651 20 0 CHADMN Cc1cccnc1[C@@H]([NH2+][C@H](C(=O)[O-])c1ccccc1)C(C)C ZINC000738321655 600956132 /nfs/dbraw/zinc/95/61/32/600956132.db2.gz IWSPCERXRCSESJ-RDJZCZTQSA-N 0 1 298.386 3.503 20 0 CHADMN Cc1oc(C[N@H+](C)[C@H](C)c2cccc(C)c2)cc1C(=O)[O-] ZINC000564576841 600984496 /nfs/dbraw/zinc/98/44/96/600984496.db2.gz MONMABHUQPXLSE-GFCCVEGCSA-N 0 1 287.359 3.788 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C)c(C(=O)[O-])o1 ZINC000519412620 601024932 /nfs/dbraw/zinc/02/49/32/601024932.db2.gz DHBZHNOEZDGXPU-SMDDNHRTSA-N 0 1 279.380 3.687 20 0 CHADMN C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000828410404 601043015 /nfs/dbraw/zinc/04/30/15/601043015.db2.gz BEUYBEYPDNJLIO-OAUYIBNBSA-N 0 1 299.345 3.644 20 0 CHADMN C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000828410404 601043017 /nfs/dbraw/zinc/04/30/17/601043017.db2.gz BEUYBEYPDNJLIO-OAUYIBNBSA-N 0 1 299.345 3.644 20 0 CHADMN CC1(C)C[N@H+](Cc2ccc(C(=O)[O-])o2)[C@H]1c1ccccc1 ZINC000828074526 601182837 /nfs/dbraw/zinc/18/28/37/601182837.db2.gz JGIBLDGDBVRTTB-HNNXBMFYSA-N 0 1 285.343 3.561 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(C(=O)[O-])o2)[C@H]1c1ccccc1 ZINC000828074526 601182839 /nfs/dbraw/zinc/18/28/39/601182839.db2.gz JGIBLDGDBVRTTB-HNNXBMFYSA-N 0 1 285.343 3.561 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000652428604 601327999 /nfs/dbraw/zinc/32/79/99/601327999.db2.gz VSWXQMMKEXKJTR-GZBFAFLISA-N 0 1 299.370 3.917 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000830368918 601412547 /nfs/dbraw/zinc/41/25/47/601412547.db2.gz FJVJTWYJBBWRSE-HNNXBMFYSA-N 0 1 299.370 3.877 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000830362490 601423101 /nfs/dbraw/zinc/42/31/01/601423101.db2.gz ALVPVLUREARNMP-SJKOYZFVSA-N 0 1 299.370 3.733 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000830376351 601424236 /nfs/dbraw/zinc/42/42/36/601424236.db2.gz WOIFMEZSWYXJLM-NSHDSACASA-N 0 1 285.343 3.617 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000830376351 601424238 /nfs/dbraw/zinc/42/42/38/601424238.db2.gz WOIFMEZSWYXJLM-NSHDSACASA-N 0 1 285.343 3.617 20 0 CHADMN CC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000233497116 601612527 /nfs/dbraw/zinc/61/25/27/601612527.db2.gz FCYZIKRHBIKPNG-UHFFFAOYSA-N 0 1 287.334 3.546 20 0 CHADMN C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000235494711 601619739 /nfs/dbraw/zinc/61/97/39/601619739.db2.gz YZQCNRCQZJSUSN-JTQLQIEISA-N 0 1 293.363 3.778 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000833032650 601641975 /nfs/dbraw/zinc/64/19/75/601641975.db2.gz KGPPBSZRYNVZCC-CQSZACIVSA-N 0 1 287.384 3.702 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000227408238 601643559 /nfs/dbraw/zinc/64/35/59/601643559.db2.gz VNIGSNFOPVRCQH-DGCLKSJQSA-N 0 1 279.405 3.519 20 0 CHADMN C/C(=C/C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F)C(=O)[O-] ZINC000825740776 604452769 /nfs/dbraw/zinc/45/27/69/604452769.db2.gz AYMMDZDHEABZTK-OCOPJHETSA-N 0 1 295.329 3.523 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2cc(C(=O)[O-])c(C)o2)s1 ZINC000833669251 604526400 /nfs/dbraw/zinc/52/64/00/604526400.db2.gz COLROKHSELPXNK-UHFFFAOYSA-N 0 1 293.388 3.542 20 0 CHADMN C/C(=C/C[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C)C(=O)[O-] ZINC000833384444 604620042 /nfs/dbraw/zinc/62/00/42/604620042.db2.gz QVHIBXHGIDUZHX-MQGYJPLLSA-N 0 1 296.436 3.599 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000833630664 604762119 /nfs/dbraw/zinc/76/21/19/604762119.db2.gz WIJITLQWUMJSBE-PXAZEXFGSA-N 0 1 299.345 3.717 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000833630666 604762252 /nfs/dbraw/zinc/76/22/52/604762252.db2.gz WIJITLQWUMJSBE-SJCJKPOMSA-N 0 1 299.345 3.717 20 0 CHADMN C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000223493727 604932558 /nfs/dbraw/zinc/93/25/58/604932558.db2.gz GWXWYGLGNHZZDA-TZMCWYRMSA-N 0 1 293.382 3.710 20 0 CHADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000135032989 604951420 /nfs/dbraw/zinc/95/14/20/604951420.db2.gz ZZVVDRFONZGZME-DHINHOHASA-N 0 1 287.403 3.523 20 0 CHADMN CC(C)(c1ccnc(Cl)c1)N1C[C@H]2CC(F)(F)[C@@H]2C1 ZINC001164410484 718872117 /nfs/dbraw/zinc/87/21/17/718872117.db2.gz BTWMUNBFRREXGU-MWLCHTKSSA-N 0 1 286.753 3.557 20 0 CHADMN CCC(CC)CCC[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000902479462 980904781 /nfs/dbraw/zinc/90/47/81/980904781.db2.gz OIWLUSRERBIAKS-UHFFFAOYSA-N 0 1 257.418 3.636 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@@H+](C)CCCC(=O)[O-] ZINC000086802375 949066575 /nfs/dbraw/zinc/06/65/75/949066575.db2.gz MJWPJJMSTOFBGL-CYBMUJFWSA-N 0 1 271.360 3.697 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC000130297288 949283741 /nfs/dbraw/zinc/28/37/41/949283741.db2.gz XNDYGDPUJDTLBN-RUXDESIVSA-N 0 1 269.429 3.634 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C)cc2Cl)C1 ZINC000233984736 949807610 /nfs/dbraw/zinc/80/76/10/949807610.db2.gz PQCZPNJSXKXIOW-MRXNPFEDSA-N 0 1 295.810 3.725 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(Cl)c(C)c1Cl ZINC001589669609 949921733 /nfs/dbraw/zinc/92/17/33/949921733.db2.gz FACKCGXRSGESOR-UHFFFAOYSA-N 0 1 290.190 3.598 20 0 CHADMN CCC[C@H]1CCCN([C@H](C)C(=O)c2c[nH]c3ncccc23)C1 ZINC000348269874 1125457314 /nfs/dbraw/zinc/45/73/14/1125457314.db2.gz WNDOFFWFHCWVNW-KGLIPLIRSA-N 0 1 299.418 3.646 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC000381525816 971763429 /nfs/dbraw/zinc/76/34/29/971763429.db2.gz NYZDCOHUNNVRJW-PHIMTYICSA-N 0 1 281.783 3.801 20 0 CHADMN Cc1noc(C)c1CN(C)Cc1cccc(C)c1C ZINC000127350148 1125460778 /nfs/dbraw/zinc/46/07/78/1125460778.db2.gz DDUARJHKNJOUDI-UHFFFAOYSA-N 0 1 258.365 3.540 20 0 CHADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1CCCC1CCCC1 ZINC000570729566 953658498 /nfs/dbraw/zinc/65/84/98/953658498.db2.gz OERHSPYTSLULNV-QGZVFWFLSA-N 0 1 287.403 3.641 20 0 CHADMN O=C([O-])[C@H]1C[N@@H+](CCCC2CCCC2)Cc2ccccc21 ZINC000652469984 954085909 /nfs/dbraw/zinc/08/59/09/954085909.db2.gz KKLKYLKMFGLGKV-KRWDZBQOSA-N 0 1 287.403 3.641 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2)[C@H]1C(=O)[O-] ZINC000662213433 954382700 /nfs/dbraw/zinc/38/27/00/954382700.db2.gz XKEKQCOJQPJCKJ-CZUORRHYSA-N 0 1 289.419 3.669 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(-n3ccnc3)c(F)c2)o1 ZINC000127841574 1125464147 /nfs/dbraw/zinc/46/41/47/1125464147.db2.gz KTGKUKLMLSYEDO-CYBMUJFWSA-N 0 1 299.349 3.764 20 0 CHADMN CC=CC=CC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000128115502 1125464585 /nfs/dbraw/zinc/46/45/85/1125464585.db2.gz PCHDWUQXFBXZIL-UHMLGTDTSA-N 0 1 295.386 3.667 20 0 CHADMN C[C@H](Cc1ccsc1)[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC001589081887 955862277 /nfs/dbraw/zinc/86/22/77/955862277.db2.gz BDVMAOFIQYHWAM-SNVBAGLBSA-N 0 1 295.429 3.571 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@H](c3ccccc3)C2)CCC1 ZINC000903703171 956895482 /nfs/dbraw/zinc/89/54/82/956895482.db2.gz UFZHZSMRNPPDPE-INIZCTEOSA-N 0 1 287.403 3.511 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@@H](c3ccccc3)C2)CCC1 ZINC000903703172 956896437 /nfs/dbraw/zinc/89/64/37/956896437.db2.gz UFZHZSMRNPPDPE-MRXNPFEDSA-N 0 1 287.403 3.511 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](CCc2ccccc2)C2CC2)cc1 ZINC000923274949 957112443 /nfs/dbraw/zinc/11/24/43/957112443.db2.gz OPUUFURAIURQLQ-UHFFFAOYSA-N 0 1 295.382 3.592 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000032145064 957174331 /nfs/dbraw/zinc/17/43/31/957174331.db2.gz OTOPEUVVAHPSPZ-OAHLLOKOSA-N 0 1 289.762 3.598 20 0 CHADMN CCC(CC)C[N@@H+](CC)Cc1cc(C(=O)[O-])ccc1F ZINC000062754419 957610143 /nfs/dbraw/zinc/61/01/43/957610143.db2.gz CXKQHZTUEHHEPI-UHFFFAOYSA-N 0 1 281.371 3.782 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086782692 957987058 /nfs/dbraw/zinc/98/70/58/957987058.db2.gz LOUAMMPKRSGNMP-GOEBONIOSA-N 0 1 295.810 3.978 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086782607 957987423 /nfs/dbraw/zinc/98/74/23/957987423.db2.gz ZHLOONRCAKBZJS-XHDPSFHLSA-N 0 1 281.783 3.588 20 0 CHADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1CC1CCCCCC1 ZINC000089575399 958075194 /nfs/dbraw/zinc/07/51/94/958075194.db2.gz NINIWDGSGCJVSM-KRWDZBQOSA-N 0 1 287.403 3.641 20 0 CHADMN Cc1cc(C)cc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000135033268 958878960 /nfs/dbraw/zinc/87/89/60/958878960.db2.gz HSLNAZGNXJZTHD-MRXNPFEDSA-N 0 1 289.419 3.626 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000181550852 959440974 /nfs/dbraw/zinc/44/09/74/959440974.db2.gz PJWRFUBSPFJRPX-OAHLLOKOSA-N 0 1 267.413 3.676 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227829662 959970680 /nfs/dbraw/zinc/97/06/80/959970680.db2.gz LOUAMMPKRSGNMP-HOCLYGCPSA-N 0 1 295.810 3.978 20 0 CHADMN C[C@H]([NH2+]Cc1cc(C(=O)[O-])co1)c1cc2ccccc2o1 ZINC000228162992 959997129 /nfs/dbraw/zinc/99/71/29/959997129.db2.gz JJRSYGOXZUQMHB-JTQLQIEISA-N 0 1 285.299 3.575 20 0 CHADMN C[C@@H](c1cccs1)[N@@H+](C)CCc1ccccc1C(=O)[O-] ZINC000228516252 960020806 /nfs/dbraw/zinc/02/08/06/960020806.db2.gz XGNWXYWFESPAKH-LBPRGKRZSA-N 0 1 289.400 3.682 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001573736211 960438416 /nfs/dbraw/zinc/43/84/16/960438416.db2.gz RSRIJZDTDQJJBQ-FOGDFJRCSA-N 0 1 299.773 3.583 20 0 CHADMN Clc1cc2c(s1)CC[C@H]2NCc1cccnc1 ZINC000129492625 1125475036 /nfs/dbraw/zinc/47/50/36/1125475036.db2.gz DXLQPLUBHBBBBI-LLVKDONJSA-N 0 1 264.781 3.574 20 0 CHADMN CCC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001329694791 961300815 /nfs/dbraw/zinc/30/08/15/961300815.db2.gz GWNMTCUMIXRSEH-SWLSCSKDSA-N 0 1 295.810 3.978 20 0 CHADMN CC(C)c1cc(CN2CCCC[C@@H]2CO)ccc1Cl ZINC001238220498 1117825396 /nfs/dbraw/zinc/82/53/96/1117825396.db2.gz VNWPNJPEILHMRP-CQSZACIVSA-N 0 1 281.827 3.810 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)no1 ZINC000129818565 1125477925 /nfs/dbraw/zinc/47/79/25/1125477925.db2.gz QWHSGVKXUKSSRP-DYVFJYSZSA-N 0 1 270.376 3.609 20 0 CHADMN Cc1cc(CN2CC[C@H](c3ccccc3)[C@H](C)C2)no1 ZINC000129818565 1125477926 /nfs/dbraw/zinc/47/79/26/1125477926.db2.gz QWHSGVKXUKSSRP-DYVFJYSZSA-N 0 1 270.376 3.609 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc2ccccc2o1 ZINC000262385683 961687551 /nfs/dbraw/zinc/68/75/51/961687551.db2.gz ZFIHEZBHUNUVGR-RCBQFDQVSA-N 0 1 299.370 3.651 20 0 CHADMN C[C@H]([NH2+]C[C@@H]1CCCS1)c1cc(Cl)ccc1[O-] ZINC000185697524 1117872939 /nfs/dbraw/zinc/87/29/39/1117872939.db2.gz YQGGZVAGKVUMGT-ONGXEEELSA-N 0 1 271.813 3.592 20 0 CHADMN CCN(Cc1nc(-c2ccccc2)oc1C)C1CC1 ZINC000130222662 1125481088 /nfs/dbraw/zinc/48/10/88/1125481088.db2.gz KWUDFTARFIODAH-UHFFFAOYSA-N 0 1 256.349 3.634 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001588906457 962284844 /nfs/dbraw/zinc/28/48/44/962284844.db2.gz JGRLFVFQESHWTM-RHSMWYFYSA-N 0 1 289.419 3.713 20 0 CHADMN CC(C)N(Cc1csc(-c2ccccn2)n1)C1CC1 ZINC000111683846 1125482844 /nfs/dbraw/zinc/48/28/44/1125482844.db2.gz DYUJDAJEMFENSA-UHFFFAOYSA-N 0 1 273.405 3.578 20 0 CHADMN C#CCCCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000186103682 1117994105 /nfs/dbraw/zinc/99/41/05/1117994105.db2.gz QXJNNBRYXBGFOL-NSHDSACASA-N 0 1 296.208 3.609 20 0 CHADMN CC(C)(C)CCC[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000302264418 963067601 /nfs/dbraw/zinc/06/76/01/963067601.db2.gz FUZDMPHLPGEWAD-ZDUSSCGKSA-N 0 1 269.429 3.636 20 0 CHADMN C[N@@H+](Cc1cccc(C2CC2)c1)C1(C(=O)[O-])CCCCC1 ZINC000315209958 963866157 /nfs/dbraw/zinc/86/61/57/963866157.db2.gz YIMQKQZDWNNOSB-UHFFFAOYSA-N 0 1 287.403 3.783 20 0 CHADMN Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c(C)c1 ZINC000314014094 967964435 /nfs/dbraw/zinc/96/44/35/967964435.db2.gz VTNMQKWBFWENQK-OWCLPIDISA-N 0 1 289.419 3.715 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394531101 968216475 /nfs/dbraw/zinc/21/64/75/968216475.db2.gz KCEWBEVWMWTBBV-OAHLLOKOSA-N 0 1 267.413 3.534 20 0 CHADMN Cc1cccc([C@H](C)[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC000393264127 972578172 /nfs/dbraw/zinc/57/81/72/972578172.db2.gz UNEXFUBSOXQCSV-KSSFIOAISA-N 0 1 295.382 3.740 20 0 CHADMN O=C([O-])[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)c1cccs1 ZINC000417556443 973959893 /nfs/dbraw/zinc/95/98/93/973959893.db2.gz OPPOHOKYBYKSSL-HNNXBMFYSA-N 0 1 287.384 3.541 20 0 CHADMN Cc1cc([C@@H](C)[N@H+]2CC[C@@H](c3ccccc3)C2)oc1C(=O)[O-] ZINC000515659063 974300674 /nfs/dbraw/zinc/30/06/74/974300674.db2.gz BWBBMNLPTJRVDX-UKRRQHHQSA-N 0 1 299.370 3.837 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2ccc(C(=O)[O-])o2)CC1 ZINC000517035086 974313984 /nfs/dbraw/zinc/31/39/84/974313984.db2.gz CDDFEIVEOLFIFD-UHFFFAOYSA-N 0 1 279.380 3.770 20 0 CHADMN CCc1ccccc1CC[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC001603976640 974475789 /nfs/dbraw/zinc/47/57/89/974475789.db2.gz SAPZHRJSUFWKNJ-QGZVFWFLSA-N 0 1 289.419 3.511 20 0 CHADMN CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000565101643 974568140 /nfs/dbraw/zinc/56/81/40/974568140.db2.gz ROWCFLYIZXNTLS-LBPRGKRZSA-N 0 1 291.372 3.549 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000566921108 974624534 /nfs/dbraw/zinc/62/45/34/974624534.db2.gz WPAAKUDSMGLTQW-CYBMUJFWSA-N 0 1 287.762 3.554 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](Cc2cc(C(=O)[O-])oc2C)C1 ZINC000569251022 974687982 /nfs/dbraw/zinc/68/79/82/974687982.db2.gz GICMIHXFIVBBRL-MRXNPFEDSA-N 0 1 279.380 3.688 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H]2c2cccc(C)c2)oc1C(=O)[O-] ZINC000572296140 974745605 /nfs/dbraw/zinc/74/56/05/974745605.db2.gz PBDFVXFXKSRUMO-MRXNPFEDSA-N 0 1 299.370 3.932 20 0 CHADMN C[C@@H](C[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1)C1CCCCC1 ZINC000572618756 974751458 /nfs/dbraw/zinc/75/14/58/974751458.db2.gz IEQXPJRQNQDHFB-STQMWFEESA-N 0 1 267.413 3.530 20 0 CHADMN CC[N@@H+](Cc1csc(C(=O)[O-])c1)C1CCCCC1 ZINC000574164075 974777749 /nfs/dbraw/zinc/77/77/49/974777749.db2.gz GXMHUQJRXJWUGX-UHFFFAOYSA-N 0 1 267.394 3.601 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)cc1C(=O)[O-] ZINC000578242212 974851407 /nfs/dbraw/zinc/85/14/07/974851407.db2.gz NBOSEOGMEANCPU-QGZVFWFLSA-N 0 1 299.370 3.932 20 0 CHADMN C[N@@H+](Cc1csc(C(=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000578329903 974852687 /nfs/dbraw/zinc/85/26/87/974852687.db2.gz SMWQGMDYAZIBJG-AWEZNQCLSA-N 0 1 287.384 3.566 20 0 CHADMN Cc1cc([C@@H](C)[N@@H+](C)Cc2cccs2)oc1C(=O)[O-] ZINC000578448352 974854979 /nfs/dbraw/zinc/85/49/79/974854979.db2.gz RYJKNRCZGOOIIV-SNVBAGLBSA-N 0 1 279.361 3.541 20 0 CHADMN CCc1ccc(C[N@@H+](Cc2ccoc2C(=O)[O-])C2CC2)cc1 ZINC000579842787 974883306 /nfs/dbraw/zinc/88/33/06/974883306.db2.gz PIQCXRCVOMHSNE-UHFFFAOYSA-N 0 1 299.370 3.705 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](CC1CCC1)C(C)C ZINC000579961190 974885776 /nfs/dbraw/zinc/88/57/76/974885776.db2.gz AUPBBOKNLYYZLH-UHFFFAOYSA-N 0 1 279.380 3.551 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)CCC1CCCCC1 ZINC000580838237 974900905 /nfs/dbraw/zinc/90/09/05/974900905.db2.gz ABLNWLCTWLAAJG-GFCCVEGCSA-N 0 1 279.380 3.941 20 0 CHADMN CCc1ccc([C@@H]2CC[N@@H+](Cc3ccoc3C(=O)[O-])C2)cc1 ZINC000582253151 974923130 /nfs/dbraw/zinc/92/31/30/974923130.db2.gz KVBVKGDGJSQIEW-OAHLLOKOSA-N 0 1 299.370 3.530 20 0 CHADMN O=C([O-])[C@H]1CCCC[N@H+]1CCCCc1cccc(Cl)c1 ZINC000622002094 975064608 /nfs/dbraw/zinc/06/46/08/975064608.db2.gz VFIWJFGTVKDMES-OAHLLOKOSA-N 0 1 295.810 3.602 20 0 CHADMN C/C=C/C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000629376229 975089665 /nfs/dbraw/zinc/08/96/65/975089665.db2.gz SGKBYEWAUMXCDR-IBUXWKBASA-N 0 1 291.366 3.702 20 0 CHADMN C[C@H](C[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1F)C(C)(C)C ZINC000634697199 975274593 /nfs/dbraw/zinc/27/45/93/975274593.db2.gz CIDCMYKEEHFEEE-BXUZGUMPSA-N 0 1 281.371 3.565 20 0 CHADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+](C)C[C@H](C)C(C)(C)C ZINC000634697712 975275250 /nfs/dbraw/zinc/27/52/50/975275250.db2.gz PPTLCTJNIYBZPN-DZGCQCFKSA-N 0 1 277.408 3.735 20 0 CHADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000634697714 975275360 /nfs/dbraw/zinc/27/53/60/975275360.db2.gz PPTLCTJNIYBZPN-UKRRQHHQSA-N 0 1 277.408 3.735 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)cc1Cl ZINC000652405663 975522237 /nfs/dbraw/zinc/52/22/37/975522237.db2.gz NHTNOPJADGEJIY-OAHLLOKOSA-N 0 1 293.794 3.803 20 0 CHADMN O=C([O-])c1occc1C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000652399066 975522277 /nfs/dbraw/zinc/52/22/77/975522277.db2.gz PJAYIIWZIYIWEC-INIZCTEOSA-N 0 1 297.354 3.630 20 0 CHADMN Cc1cc([C@H](C)[N@@H+](C)CCC(C)(C)C)oc1C(=O)[O-] ZINC000652416878 975526492 /nfs/dbraw/zinc/52/64/92/975526492.db2.gz IMLAWSKMNPQHPE-NSHDSACASA-N 0 1 267.369 3.715 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000652415855 975526907 /nfs/dbraw/zinc/52/69/07/975526907.db2.gz MSQWAWFZZSBVAD-CQSZACIVSA-N 0 1 293.432 3.909 20 0 CHADMN CCC[C@@]1(C)CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000652419420 975528121 /nfs/dbraw/zinc/52/81/21/975528121.db2.gz UQFBZBQFVGGUCF-RDJZCZTQSA-N 0 1 293.382 3.854 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCCC3(CCCC3)CC2)c1 ZINC000656757769 975684732 /nfs/dbraw/zinc/68/47/32/975684732.db2.gz ATDAEHMWCXSNQO-UHFFFAOYSA-N 0 1 287.403 3.931 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC000656761169 975688018 /nfs/dbraw/zinc/68/80/18/975688018.db2.gz NAKJGNBELOREJJ-KRWDZBQOSA-N 0 1 287.403 3.787 20 0 CHADMN CC1(C)CCCC[C@H]1C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000662211033 975899383 /nfs/dbraw/zinc/89/93/83/975899383.db2.gz LQBXEEUDVXQXEA-GJZGRUSLSA-N 0 1 281.440 3.780 20 0 CHADMN Cc1ccc(C[N@@H+]2CC[C@@H](CC(C)C)C2)cc1C(=O)[O-] ZINC000701826191 977045256 /nfs/dbraw/zinc/04/52/56/977045256.db2.gz IUTALXTZIPBBQB-HNNXBMFYSA-N 0 1 275.392 3.561 20 0 CHADMN O=C([O-])c1csc(C[N@H+]2CCC3(C2)CCCCC3)c1 ZINC000711385235 977539687 /nfs/dbraw/zinc/53/96/87/977539687.db2.gz MEBBLFZCPYFSHU-UHFFFAOYSA-N 0 1 279.405 3.603 20 0 CHADMN C[N@@H+](Cc1cc(C(=O)[O-])cs1)C1CCC(C)(C)CC1 ZINC000711455781 977548805 /nfs/dbraw/zinc/54/88/05/977548805.db2.gz ALTUFQBZIFVCTG-UHFFFAOYSA-N 0 1 281.421 3.847 20 0 CHADMN C[C@]1(CNc2ccncc2C(F)(F)F)CC1(Cl)Cl ZINC001651860019 1118267116 /nfs/dbraw/zinc/26/71/16/1118267116.db2.gz ACRXWUKHGRRHJM-SECBINFHSA-N 0 1 299.123 3.518 20 0 CHADMN CCOc1c(Cl)cccc1CN1CC[C@H]1C(C)C ZINC001652015275 1118268257 /nfs/dbraw/zinc/26/82/57/1118268257.db2.gz MBKGQHUYFJECBZ-AWEZNQCLSA-N 0 1 267.800 3.969 20 0 CHADMN CC[C@H](C[N@@H+](CC)C/C=C(\C)C(=O)[O-])c1ccccc1 ZINC000846253362 979425843 /nfs/dbraw/zinc/42/58/43/979425843.db2.gz BJAVIZQGPAGFMK-ATGUSINASA-N 0 1 275.392 3.533 20 0 CHADMN C/C(=C/C[N@H+]1CCCC[C@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC000846253303 979425885 /nfs/dbraw/zinc/42/58/85/979425885.db2.gz ZWHKKHAVBCHGEU-PINLSGDHSA-N 0 1 293.794 3.898 20 0 CHADMN C/C(=C/C[N@H+]1CCCCC[C@@H]1/C=C/c1ccccc1)C(=O)[O-] ZINC000846256316 979428083 /nfs/dbraw/zinc/42/80/83/979428083.db2.gz MIQUFSAOXRDHCU-PGVSXJKNSA-N 0 1 299.414 3.975 20 0 CHADMN CCCCCC[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000846271189 979436576 /nfs/dbraw/zinc/43/65/76/979436576.db2.gz DVNXUSXDBDQQPT-UHFFFAOYSA-N 0 1 299.361 3.822 20 0 CHADMN C[C@@H](C[N@H+]1CCC[C@H](CCC(=O)[O-])C1)c1ccc(F)cc1 ZINC000871622100 979961223 /nfs/dbraw/zinc/96/12/23/979961223.db2.gz ZJLBTGDTHLFRBF-UONOGXRCSA-N 0 1 293.382 3.506 20 0 CHADMN C[C@H](C[N@H+](Cc1ccccc1)C[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000872159408 980044151 /nfs/dbraw/zinc/04/41/51/980044151.db2.gz GMNOXRNLZISPRT-HUUCEWRRSA-N 0 1 291.435 3.892 20 0 CHADMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](Cc1cccc3ccccc31)CC2 ZINC000872169180 980072921 /nfs/dbraw/zinc/07/29/21/980072921.db2.gz HRJXLUFVOIKDED-MJGOQNOKSA-N 0 1 295.382 3.669 20 0 CHADMN CC[C@H]1CCCCC[N@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000901433034 980281626 /nfs/dbraw/zinc/28/16/26/980281626.db2.gz FWLQAILBVAKARM-LXKVQUBZSA-N 0 1 277.364 3.532 20 0 CHADMN CC1(C[N@@H+](CC(=O)[O-])Cc2ccc(Cl)cc2)CCCC1 ZINC000901590774 980396845 /nfs/dbraw/zinc/39/68/45/980396845.db2.gz NPPYUPFAHPGQTC-UHFFFAOYSA-N 0 1 295.810 3.807 20 0 CHADMN Cc1cc(Cl)cc(C[N@H+](CCC(=O)[O-])CC(C)C)c1 ZINC000901593442 980398033 /nfs/dbraw/zinc/39/80/33/980398033.db2.gz ORHPGUWIDLRSJN-UHFFFAOYSA-N 0 1 283.799 3.581 20 0 CHADMN Cc1cc(C)cc(CC[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000901649526 980427706 /nfs/dbraw/zinc/42/77/06/980427706.db2.gz ZMSZZVKVFDWMQZ-UHFFFAOYSA-N 0 1 295.382 3.560 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000901698673 980453476 /nfs/dbraw/zinc/45/34/76/980453476.db2.gz YYVPTTPKYJGTJZ-RHSMWYFYSA-N 0 1 281.440 3.780 20 0 CHADMN CC[C@H](Nc1cc(C(=O)[O-])cc[nH+]1)c1ccc(Cl)cc1 ZINC001595317212 980490055 /nfs/dbraw/zinc/49/00/55/980490055.db2.gz NSTLZGIZTIJCOK-ZDUSSCGKSA-N 0 1 290.750 3.996 20 0 CHADMN CC1=CCC[C@@H](C)[C@@H]1C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000901780434 980511126 /nfs/dbraw/zinc/51/11/26/980511126.db2.gz YWCZPRKIFFBKFA-RHSMWYFYSA-N 0 1 299.414 3.735 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000901902388 980616107 /nfs/dbraw/zinc/61/61/07/980616107.db2.gz DULWESCFFWSRCB-BHYGNILZSA-N 0 1 293.451 3.802 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000901992949 980674101 /nfs/dbraw/zinc/67/41/01/980674101.db2.gz GVNXBGVKOMDVJA-LSDHHAIUSA-N 0 1 281.440 3.944 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000902039198 980709407 /nfs/dbraw/zinc/70/94/07/980709407.db2.gz NQPUSHUNOGSOPQ-HNNXBMFYSA-N 0 1 295.810 3.786 20 0 CHADMN C[C@@H](C[N@@H+](CC(=O)[O-])C1CCCC1)c1cccc(Cl)c1 ZINC000902039977 980710342 /nfs/dbraw/zinc/71/03/42/980710342.db2.gz REPXTPIFQKHJJH-LBPRGKRZSA-N 0 1 295.810 3.773 20 0 CHADMN CC[N@@H+](CCC(C)(C)C(=O)[O-])Cc1cccc(Cl)c1 ZINC000902121197 980744655 /nfs/dbraw/zinc/74/46/55/980744655.db2.gz IJMURLXSMZGLFN-UHFFFAOYSA-N 0 1 283.799 3.663 20 0 CHADMN C[C@@H]1C[N@@H+](CCC(C)(C)C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000902321903 980830628 /nfs/dbraw/zinc/83/06/28/980830628.db2.gz NSUDESPSHSOCNC-GDBMZVCRSA-N 0 1 289.419 3.613 20 0 CHADMN C[C@@H]1C[N@@H+](CCC(C)(C)C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000902321906 980831839 /nfs/dbraw/zinc/83/18/39/980831839.db2.gz NSUDESPSHSOCNC-ZBFHGGJFSA-N 0 1 289.419 3.613 20 0 CHADMN Cc1oc(C[N@H+]2CC[C@@H](c3cccc(C)c3)C2)cc1C(=O)[O-] ZINC000902372278 980859455 /nfs/dbraw/zinc/85/94/55/980859455.db2.gz JLYFOISNTZFFMD-OAHLLOKOSA-N 0 1 299.370 3.584 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)[N@H+](CCC(C)(C)C(=O)[O-])C2)cc1 ZINC000902545988 980928379 /nfs/dbraw/zinc/92/83/79/980928379.db2.gz OMPDNORXHAOICB-HOCLYGCPSA-N 0 1 289.419 3.674 20 0 CHADMN CCc1oc(C[N@H+]2C[C@H](CC)CC[C@@H]2C)cc1C(=O)[O-] ZINC000902547643 980929104 /nfs/dbraw/zinc/92/91/04/980929104.db2.gz RXWARQXQJYWOBX-NWDGAFQWSA-N 0 1 279.380 3.551 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000903593996 980977903 /nfs/dbraw/zinc/97/79/03/980977903.db2.gz AXZZRPBIIXCPAO-HOCLYGCPSA-N 0 1 291.435 3.704 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc2ccccc21 ZINC000903596957 980979944 /nfs/dbraw/zinc/97/99/44/980979944.db2.gz YMXCPCFNCIERGY-SUMWQHHRSA-N 0 1 285.387 3.771 20 0 CHADMN CC(C)C[N@@H+](CCCC(C)(C)C)CC(C)(C)C(=O)[O-] ZINC000903623466 981000299 /nfs/dbraw/zinc/00/02/99/981000299.db2.gz ZMZKWBRVIGDSLH-UHFFFAOYSA-N 0 1 271.445 3.882 20 0 CHADMN CC1(C)CC[N@@H+](CCCCC(=O)[O-])C[C@H]1c1ccccc1 ZINC000903706861 981016696 /nfs/dbraw/zinc/01/66/96/981016696.db2.gz HBZMOGPHZUNGSA-INIZCTEOSA-N 0 1 289.419 3.757 20 0 CHADMN CC(C)c1ccccc1C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000903906940 981032121 /nfs/dbraw/zinc/03/21/21/981032121.db2.gz ONBWAQZOEZEZFW-UHFFFAOYSA-N 0 1 275.392 3.639 20 0 CHADMN CCC1CCC([N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C2CC2)CC1 ZINC001595420377 981035029 /nfs/dbraw/zinc/03/50/29/981035029.db2.gz IHEIYGYHPXHMGG-UHFFFAOYSA-N 0 1 290.407 3.646 20 0 CHADMN CCCCCC[N@@H+](C/C=C(/C)C(=O)[O-])Cc1ccco1 ZINC000903960863 981076939 /nfs/dbraw/zinc/07/69/39/981076939.db2.gz FCUKVBYQVTUJRA-ZROIWOOFSA-N 0 1 279.380 3.693 20 0 CHADMN CCCCCC[N@@H+](C/C=C(\C)C(=O)[O-])Cc1ccco1 ZINC000903960862 981077387 /nfs/dbraw/zinc/07/73/87/981077387.db2.gz FCUKVBYQVTUJRA-NTEUORMPSA-N 0 1 279.380 3.693 20 0 CHADMN CC[C@@H]1CC[N@@H+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2)[C@H]1C ZINC001595464473 981150172 /nfs/dbraw/zinc/15/01/72/981150172.db2.gz ORVONWLNMFHCNW-MISXGVKJSA-N 0 1 281.783 3.586 20 0 CHADMN Clc1cccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000075611663 1118637786 /nfs/dbraw/zinc/63/77/86/1118637786.db2.gz HZKRSPUQLWRXTI-JSGCOSHPSA-N 0 1 264.800 3.890 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1ccc(Cl)cc1 ZINC000078679907 1118638481 /nfs/dbraw/zinc/63/84/81/1118638481.db2.gz AXUGXPBWZHEVEB-VIFPVBQESA-N 0 1 264.756 3.796 20 0 CHADMN CCC[C@@]1(C)CCC[N@H+]([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001595617572 981654832 /nfs/dbraw/zinc/65/48/32/981654832.db2.gz QZUQKKJTSXZWOX-ABAIWWIYSA-N 0 1 296.436 3.805 20 0 CHADMN CCCC1CCC([N@@H+](C)Cc2cncc(C(=O)[O-])c2)CC1 ZINC001595620953 981695083 /nfs/dbraw/zinc/69/50/83/981695083.db2.gz YIIDYDKOYWWRDA-UHFFFAOYSA-N 0 1 290.407 3.571 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001594775361 981758634 /nfs/dbraw/zinc/75/86/34/981758634.db2.gz ODGVBNBMVYRLGI-SFHVURJKSA-N 0 1 295.382 3.575 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC001595628737 981789755 /nfs/dbraw/zinc/78/97/55/981789755.db2.gz KPVHARNSKVIALN-UONOGXRCSA-N 0 1 281.783 3.730 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC001595628737 981789758 /nfs/dbraw/zinc/78/97/58/981789758.db2.gz KPVHARNSKVIALN-UONOGXRCSA-N 0 1 281.783 3.730 20 0 CHADMN CC[C@@](C)(C(=O)[O-])[N@H+](Cc1ccc(C)cc1F)CC1CC1 ZINC001594787517 981822950 /nfs/dbraw/zinc/82/29/50/981822950.db2.gz GTODEBHTWBVQLG-KRWDZBQOSA-N 0 1 293.382 3.599 20 0 CHADMN CC(C)C1CN(C/C=C/c2ccc(F)cc2F)C1 ZINC000684409384 1118685407 /nfs/dbraw/zinc/68/54/07/1118685407.db2.gz UZACNQCKKHQYCN-ONEGZZNKSA-N 0 1 251.320 3.566 20 0 CHADMN CCCC[C@@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])oc1CC ZINC001595631527 981840541 /nfs/dbraw/zinc/84/05/41/981840541.db2.gz SVOKIRMYPXXJAC-LLVKDONJSA-N 0 1 267.369 3.551 20 0 CHADMN CCCC[C@H](C)[N@@H+](CCCC)Cc1oncc1C(=O)[O-] ZINC001595631917 981846235 /nfs/dbraw/zinc/84/62/35/981846235.db2.gz KCIUJTUWUKJVTL-LBPRGKRZSA-N 0 1 282.384 3.554 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001595690168 982192473 /nfs/dbraw/zinc/19/24/73/982192473.db2.gz KBXQAWXHUDGGPM-ARFHVFGLSA-N 0 1 281.440 3.922 20 0 CHADMN CCCCC[C@H]1CCC[N@H+]1Cc1cc(C)c(C(=O)[O-])[nH]1 ZINC001595690506 982197575 /nfs/dbraw/zinc/19/75/75/982197575.db2.gz QIWUEZBLKSDSAG-AWEZNQCLSA-N 0 1 278.396 3.566 20 0 CHADMN CCCCC[N@@H+](C(C)C)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595714595 982309781 /nfs/dbraw/zinc/30/97/81/982309781.db2.gz GACKOVDIDMQYGY-LLVKDONJSA-N 0 1 284.425 3.803 20 0 CHADMN CCCCC[N@@H+](Cc1ccccc1OCC(=O)[O-])C(C)C ZINC001595716017 982317911 /nfs/dbraw/zinc/31/79/11/982317911.db2.gz MAIRVKHUVKTJBX-UHFFFAOYSA-N 0 1 293.407 3.551 20 0 CHADMN CCCC[N@@H+](CCCCC(=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC001595745072 982410736 /nfs/dbraw/zinc/41/07/36/982410736.db2.gz REZIBGZJXMBGEX-HUUCEWRRSA-N 0 1 269.429 3.922 20 0 CHADMN CN(Cc1ccccc1F)C1CC(OC(C)(C)C)C1 ZINC000341660208 1118788230 /nfs/dbraw/zinc/78/82/30/1118788230.db2.gz QDNPMWMRZKNKII-UHFFFAOYSA-N 0 1 265.372 3.604 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@@H](C)c2cscn2)C12CCCC2 ZINC000535777347 1118884037 /nfs/dbraw/zinc/88/40/37/1118884037.db2.gz BGGOJQYKOZDNOC-FPMFFAJLSA-N 0 1 280.437 3.532 20 0 CHADMN Fc1cc(Cl)ccc1CNCc1ccsc1 ZINC000133048204 1118859109 /nfs/dbraw/zinc/85/91/09/1118859109.db2.gz JKIRLDVTCCEBSA-UHFFFAOYSA-N 0 1 255.745 3.830 20 0 CHADMN CCCC[N@@H+](Cc1c[nH]cn1)[C@H](C)c1ccc(C)o1 ZINC000684617734 1118907201 /nfs/dbraw/zinc/90/72/01/1118907201.db2.gz WHBSGGPYTKKWQP-CYBMUJFWSA-N 0 1 261.369 3.674 20 0 CHADMN O=C([O-])[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@H](CCF)C1 ZINC001118438143 982956649 /nfs/dbraw/zinc/95/66/49/982956649.db2.gz HSAWCYLVBZBWGN-BXUZGUMPSA-N 0 1 299.773 3.537 20 0 CHADMN CC(C)(C)c1coc(CN[C@@H]2CCCC3(CC3)C2)n1 ZINC000724434496 1119001605 /nfs/dbraw/zinc/00/16/05/1119001605.db2.gz RVBIOXPNXKYDGQ-GFCCVEGCSA-N 0 1 262.397 3.785 20 0 CHADMN CC(C)Oc1ccc(CN[C@H](C)c2ccc(F)cc2)cn1 ZINC000112529451 1125488017 /nfs/dbraw/zinc/48/80/17/1125488017.db2.gz ZAAKYKQVWDEYHF-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN CCCCS[C@H](C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000049247806 1125493983 /nfs/dbraw/zinc/49/39/83/1125493983.db2.gz CSHCLMPUIOUYDS-SNVBAGLBSA-N 0 1 291.420 3.732 20 0 CHADMN CCc1nnc(SCc2ccc(C(C)(C)C)cc2)[nH]1 ZINC000198748276 1119510911 /nfs/dbraw/zinc/51/09/11/1119510911.db2.gz MLHSHVFYBRQYST-UHFFFAOYSA-N 0 1 275.421 3.957 20 0 CHADMN CCc1n[nH]c(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000198748276 1119510915 /nfs/dbraw/zinc/51/09/15/1119510915.db2.gz MLHSHVFYBRQYST-UHFFFAOYSA-N 0 1 275.421 3.957 20 0 CHADMN COCCCCSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000114095698 1125496285 /nfs/dbraw/zinc/49/62/85/1125496285.db2.gz FPMKWEHKWGIBPT-UHFFFAOYSA-N 0 1 290.432 3.828 20 0 CHADMN CCCC[C@H](CC)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000114145943 1125496764 /nfs/dbraw/zinc/49/67/64/1125496764.db2.gz QUOUULAZAPWSFY-LBPRGKRZSA-N 0 1 286.379 3.627 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](CCCC1CCCCC1)C1CCC1 ZINC001589486289 987025581 /nfs/dbraw/zinc/02/55/81/987025581.db2.gz LLVJMLCNAHDWFB-ZDUSSCGKSA-N 0 1 267.413 3.675 20 0 CHADMN CCS[C@H]1CCCC[C@H]1Nc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC001597258448 987268257 /nfs/dbraw/zinc/26/82/57/987268257.db2.gz MNKPERVJOPBGQD-OLZOCXBDSA-N 0 1 294.420 3.564 20 0 CHADMN CC(C)(C)C1=CC[N@@H+](C[C@@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC001589726686 987912044 /nfs/dbraw/zinc/91/20/44/987912044.db2.gz LEZBLQKSKTVSGL-DZGCQCFKSA-N 0 1 279.424 3.556 20 0 CHADMN C[C@@H]([NH2+]Cc1occc1C(=O)[O-])c1ccc(F)cc1Cl ZINC001599841750 988849948 /nfs/dbraw/zinc/84/99/48/988849948.db2.gz HXEDXPSMCGKRPA-MRVPVSSYSA-N 0 1 297.713 3.621 20 0 CHADMN CC(C)(C)[N@@H+](CCC(C)(C)C(=O)[O-])Cc1ccccc1 ZINC001590670852 990376258 /nfs/dbraw/zinc/37/62/58/990376258.db2.gz MFELQFIRZDDQEB-UHFFFAOYSA-N 0 1 277.408 3.788 20 0 CHADMN C[C@H](NCCOCC(F)(F)F)c1c(F)cccc1Cl ZINC000181731229 1120105869 /nfs/dbraw/zinc/10/58/69/1120105869.db2.gz RXHIFNMCKYSLTD-QMMMGPOBSA-N 0 1 299.695 3.709 20 0 CHADMN CC(C)[C@@H]1C[N@@H+]([C@H](C)c2ncc(C(=O)[O-])s2)[C@H]1C(C)C ZINC001591093365 991657510 /nfs/dbraw/zinc/65/75/10/991657510.db2.gz RHQXABRNOBBBRB-MDZLAQPJSA-N 0 1 296.436 3.515 20 0 CHADMN CC(C)[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])cs2)[C@H]1C(C)C ZINC001591096464 991687144 /nfs/dbraw/zinc/68/71/44/991687144.db2.gz FKPOCQDQISYZPT-KGLIPLIRSA-N 0 1 281.421 3.559 20 0 CHADMN C[N@@H+](C[C@H]1CCCCC1(C)C)[C@H](C(=O)[O-])c1ccccc1 ZINC001598455574 991932439 /nfs/dbraw/zinc/93/24/39/991932439.db2.gz RIHKCSIXGOSFMU-CVEARBPZSA-N 0 1 289.419 3.961 20 0 CHADMN CCC(C)(C)CCN1CCO[C@@H](c2cccs2)C1 ZINC000472826509 1120198761 /nfs/dbraw/zinc/19/87/61/1120198761.db2.gz PRAAIOCCCFTCII-CYBMUJFWSA-N 0 1 267.438 3.948 20 0 CHADMN CC(C)C[C@@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001591206290 992032916 /nfs/dbraw/zinc/03/29/16/992032916.db2.gz PZYAXUCVNDDCFN-AWEZNQCLSA-N 0 1 278.396 3.504 20 0 CHADMN CC(C)C[N@@H+](C[C@H]1CCCC[C@@H]1C(=O)[O-])C1CCCC1 ZINC001591322295 992293239 /nfs/dbraw/zinc/29/32/39/992293239.db2.gz WHENQZSJXQVQAM-ZBFHGGJFSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)[N@@H+](C[C@@H]1CCCC[C@@H]1C(=O)[O-])C1CCCC1 ZINC001591574688 992784657 /nfs/dbraw/zinc/78/46/57/992784657.db2.gz RPHHEDLAYSZYLX-ZFWWWQNUSA-N 0 1 267.413 3.530 20 0 CHADMN CC(C)[N@@H+](Cc1cncc(C(=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC001591604169 992841238 /nfs/dbraw/zinc/84/12/38/992841238.db2.gz LEEYFTPSBKLPFS-AWEZNQCLSA-N 0 1 298.386 3.751 20 0 CHADMN C[C@@H](CCc1cccc(F)c1)N[C@H]1CCCC1(F)F ZINC000672620115 1120335189 /nfs/dbraw/zinc/33/51/89/1120335189.db2.gz JWAVGQIXEIARIX-FZMZJTMJSA-N 0 1 271.326 3.924 20 0 CHADMN COCCSCCCN1CC[C@H]1c1ccc(Cl)cc1 ZINC000511597270 1120392568 /nfs/dbraw/zinc/39/25/68/1120392568.db2.gz UVFSHEKDDUGIGQ-HNNXBMFYSA-N 0 1 299.867 3.857 20 0 CHADMN C[C@@H]([NH2+]Cc1cccc(Cl)c1F)c1cc(C(=O)[O-])co1 ZINC001593304835 994755080 /nfs/dbraw/zinc/75/50/80/994755080.db2.gz TYVZAWOBRVLPMU-MRVPVSSYSA-N 0 1 297.713 3.621 20 0 CHADMN Cc1nccc(N2CC[C@H](CC3CC3)C2)c1Cl ZINC000338813309 1120431048 /nfs/dbraw/zinc/43/10/48/1120431048.db2.gz UGHYBNVDUXPEPH-GFCCVEGCSA-N 0 1 250.773 3.670 20 0 CHADMN CO[C@H](CN[C@H](C)c1nc(C)cs1)C1CCCCC1 ZINC000660266153 1120474665 /nfs/dbraw/zinc/47/46/65/1120474665.db2.gz NRTDGWSIFITTBP-TZMCWYRMSA-N 0 1 282.453 3.697 20 0 CHADMN CC1(C)CCC[C@H](C[N@@H+](CCC(F)(F)F)CC(=O)[O-])C1 ZINC001593884318 996720428 /nfs/dbraw/zinc/72/04/28/996720428.db2.gz BGCWTTZHONBYTD-NSHDSACASA-N 0 1 295.345 3.542 20 0 CHADMN COC[C@H](CC(C)(C)C)NCc1csc(C2CC2)n1 ZINC000651710041 1120718775 /nfs/dbraw/zinc/71/87/75/1120718775.db2.gz PNDBUARQGIXSAH-LBPRGKRZSA-N 0 1 282.453 3.561 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(C)(C)C)on1 ZINC000662129554 1120881415 /nfs/dbraw/zinc/88/14/15/1120881415.db2.gz HKJQZMGCFZUJEO-QXMXGUDHSA-N 0 1 262.397 3.735 20 0 CHADMN CC1=CCC[C@@H](C)[C@H]1C[N@@H+](C)C1(C(=O)[O-])CCCCC1 ZINC001594112870 998217000 /nfs/dbraw/zinc/21/70/00/998217000.db2.gz BAPHJOFLKLUDCY-CABCVRRESA-N 0 1 279.424 3.698 20 0 CHADMN Cc1nnc([C@H](C)NCC2CCC(C(C)(C)C)CC2)o1 ZINC000543548539 1121041356 /nfs/dbraw/zinc/04/13/56/1121041356.db2.gz VDPGBQCRFMGZGB-XGNXJENSSA-N 0 1 279.428 3.881 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1CC1(CC(=O)[O-])CC1 ZINC001594270339 999044353 /nfs/dbraw/zinc/04/43/53/999044353.db2.gz STCVRGQZBCLQSA-FMKPAKJESA-N 0 1 287.403 3.508 20 0 CHADMN COC1CCN(Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000893915168 1121440006 /nfs/dbraw/zinc/44/00/06/1121440006.db2.gz PSXAZQDDCYEGOQ-UHFFFAOYSA-N 0 1 296.823 3.561 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C(C)(C)CC(C)C)c1 ZINC000512553782 1121470522 /nfs/dbraw/zinc/47/05/22/1121470522.db2.gz IVZJNUPGFCBULW-UHFFFAOYSA-N 0 1 277.364 3.606 20 0 CHADMN Fc1ccc(F)c(C[C@@H]2CCCN2CCC(F)(F)F)c1 ZINC000419293849 1121628807 /nfs/dbraw/zinc/62/88/07/1121628807.db2.gz BKDGJRKNGKYZBR-LBPRGKRZSA-N 0 1 293.279 3.924 20 0 CHADMN CCC[C@H](C)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000501009150 1121937332 /nfs/dbraw/zinc/93/73/32/1121937332.db2.gz XFPSCVZMCNAQPG-BBRMVZONSA-N 0 1 265.372 3.696 20 0 CHADMN Cc1ccc([C@H](C)CN2CC(C(F)(F)F)C2)cc1 ZINC001181860829 1122087437 /nfs/dbraw/zinc/08/74/37/1122087437.db2.gz OMXGDISSHCKYCY-LLVKDONJSA-N 0 1 257.299 3.593 20 0 CHADMN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCCF ZINC000273264820 1122225865 /nfs/dbraw/zinc/22/58/65/1122225865.db2.gz GLNILQBHZOARBR-SECBINFHSA-N 0 1 282.359 3.878 20 0 CHADMN CCOc1cc(C)ccc1CN1CCCC[C@@H](F)C1 ZINC001250171573 1122300319 /nfs/dbraw/zinc/30/03/19/1122300319.db2.gz PSPRQCGNVBNLET-OAHLLOKOSA-N 0 1 265.372 3.718 20 0 CHADMN C[C@@H]1CCN(Cc2cncc(C(F)(F)F)c2)[C@H](C)C1 ZINC000425527279 1122542193 /nfs/dbraw/zinc/54/21/93/1122542193.db2.gz ZVPPCIJFTPQBII-GHMZBOCLSA-N 0 1 272.314 3.721 20 0 CHADMN COc1ccsc1CN(C)[C@H](C)c1ccccc1 ZINC000506011753 1122625144 /nfs/dbraw/zinc/62/51/44/1122625144.db2.gz GORANOJBLSNDTP-GFCCVEGCSA-N 0 1 261.390 3.950 20 0 CHADMN CC1(C)CCCCN(Cc2ccc(Cl)cn2)C1 ZINC000516949554 1122637121 /nfs/dbraw/zinc/63/71/21/1122637121.db2.gz SXKHGIDAGQIZOC-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN C[C@@H](CSc1nc(-c2ccccc2)n[nH]1)C(F)(F)F ZINC000439035855 1122747941 /nfs/dbraw/zinc/74/79/41/1122747941.db2.gz ADCZVCBWODXWFI-QMMMGPOBSA-N 0 1 287.310 3.762 20 0 CHADMN CCC(CC)n1ccc(CN2CC[C@@H](C)C[C@H]2C)n1 ZINC001195350328 1122863775 /nfs/dbraw/zinc/86/37/75/1122863775.db2.gz UOGVTQDWAQJBDY-ZIAGYGMSSA-N 0 1 263.429 3.865 20 0 CHADMN CC(C)SCCN1CCc2c(Cl)cccc2C1 ZINC000519810292 1123026813 /nfs/dbraw/zinc/02/68/13/1123026813.db2.gz FBBFBWXPRBUYBK-UHFFFAOYSA-N 0 1 269.841 3.840 20 0 CHADMN F[C@@H]1CCCC[C@H]1NCc1cnc(CC(F)(F)F)s1 ZINC000894909054 1123084351 /nfs/dbraw/zinc/08/43/51/1123084351.db2.gz JYOVXEGKWCDHKI-NXEZZACHSA-N 0 1 296.333 3.618 20 0 CHADMN F[C@H]1CN(CCCc2ccccc2)CCCC1(F)F ZINC001201652907 1123136639 /nfs/dbraw/zinc/13/66/39/1123136639.db2.gz MZAUBJWNPNZZET-AWEZNQCLSA-N 0 1 271.326 3.688 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1nc(C(C)C)no1 ZINC000189258797 1123137195 /nfs/dbraw/zinc/13/71/95/1123137195.db2.gz KSGPWUKDGYLPCM-OLZOCXBDSA-N 0 1 265.401 3.594 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1N(C)Cc1nc(C(C)C)no1 ZINC000189258797 1123137197 /nfs/dbraw/zinc/13/71/97/1123137197.db2.gz KSGPWUKDGYLPCM-OLZOCXBDSA-N 0 1 265.401 3.594 20 0 CHADMN CCn1cncc1CN(Cc1ccc(C)s1)C(C)C ZINC000417745499 1123212067 /nfs/dbraw/zinc/21/20/67/1123212067.db2.gz AZFFPAPETACVEU-UHFFFAOYSA-N 0 1 277.437 3.684 20 0 CHADMN CC1=CCC[C@@H](C)[C@H]1CN(C)Cc1nccs1 ZINC000191076185 1123364479 /nfs/dbraw/zinc/36/44/79/1123364479.db2.gz NIMFFBJPGBDPCE-OLZOCXBDSA-N 0 1 250.411 3.567 20 0 CHADMN CCCC[C@@](C)(F)C(=O)Nc1ccc(F)c(F)c1O ZINC000854903760 1123499536 /nfs/dbraw/zinc/49/95/36/1123499536.db2.gz YOGXKLQBWYJENM-CYBMUJFWSA-N 0 1 275.270 3.527 20 0 CHADMN C[C@@H](C[N@@H+](C)CCc1ccccc1C(=O)[O-])C(C)(C)C ZINC000312454147 1123596387 /nfs/dbraw/zinc/59/63/87/1123596387.db2.gz CVKDTGYKRWXSFS-ZDUSSCGKSA-N 0 1 277.408 3.541 20 0 CHADMN C[C@@]1(CN[C@@H]2CCCc3scnc32)CC1(Cl)Cl ZINC000858423055 1123652873 /nfs/dbraw/zinc/65/28/73/1123652873.db2.gz WZPZFAHXXBELTD-KCJUWKMLSA-N 0 1 291.247 3.694 20 0 CHADMN Cc1cccc(C)c1[C@@H](C)NCc1ccc(F)cn1 ZINC000346539992 1123693280 /nfs/dbraw/zinc/69/32/80/1123693280.db2.gz LVHZCZQARIWMLE-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN CC[C@@H]1CCN(Cc2csc(CCC(C)C)n2)C1 ZINC000446714771 1124118894 /nfs/dbraw/zinc/11/88/94/1124118894.db2.gz NEWHOYMEVCLDAK-CYBMUJFWSA-N 0 1 266.454 3.964 20 0 CHADMN CO[C@]1(C)C[C@H](NCc2nc(C(C)(C)C)cs2)C1(C)C ZINC000446964876 1124129473 /nfs/dbraw/zinc/12/94/73/1124129473.db2.gz DDWOMKBQZIJEMF-MEDUHNTESA-N 0 1 296.480 3.734 20 0 CHADMN CO[C@H](C)CNCc1csc(-c2ccc(Cl)cc2)n1 ZINC000526947862 1124526115 /nfs/dbraw/zinc/52/61/15/1124526115.db2.gz WAYHUXPANPHNHR-SNVBAGLBSA-N 0 1 296.823 3.588 20 0 CHADMN Cc1csc(CN[C@H](C)c2cc(O)ccc2F)c1 ZINC000872077071 1124676340 /nfs/dbraw/zinc/67/63/40/1124676340.db2.gz XZLWEBIPXFFLPW-SNVBAGLBSA-N 0 1 265.353 3.752 20 0 CHADMN C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1cccc(F)c1 ZINC000449463588 1124757674 /nfs/dbraw/zinc/75/76/74/1124757674.db2.gz WJUHWFBNTXLCQR-JQWIXIFHSA-N 0 1 275.289 3.989 20 0 CHADMN CCO[C@H]1CC[N@@H+](Cc2cnc(C(C)(C)C)s2)C[C@@H]1C ZINC000449497761 1124770700 /nfs/dbraw/zinc/77/07/00/1124770700.db2.gz ROBSUMVFPXOAOR-JSGCOSHPSA-N 0 1 296.480 3.688 20 0 CHADMN CCO[C@H]1CCN(Cc2cnc(C(C)(C)C)s2)C[C@@H]1C ZINC000449497761 1124770709 /nfs/dbraw/zinc/77/07/09/1124770709.db2.gz ROBSUMVFPXOAOR-JSGCOSHPSA-N 0 1 296.480 3.688 20 0 CHADMN Cc1nc(CN(C)C[C@H](C)C2CCCCC2)oc1C ZINC000528774989 1124800261 /nfs/dbraw/zinc/80/02/61/1124800261.db2.gz UOQAQXLLWDROAQ-LBPRGKRZSA-N 0 1 264.413 3.940 20 0 CHADMN CC(C)N(Cc1ccsc1C(F)(F)F)[C@H]1CCOC1 ZINC000529570229 1125002921 /nfs/dbraw/zinc/00/29/21/1125002921.db2.gz CAVLHAFCEPSAGR-NSHDSACASA-N 0 1 293.354 3.766 20 0 CHADMN CC(C)c1nnc(CN2CC[C@H](C)C[C@@H](C)C2)s1 ZINC000450607410 1125070667 /nfs/dbraw/zinc/07/06/67/1125070667.db2.gz HHGVMZLSAYHOCL-NWDGAFQWSA-N 0 1 267.442 3.530 20 0 CHADMN CN(Cc1nc2c(o1)CCCC2)CC1CCCCC1 ZINC000877898603 1125096401 /nfs/dbraw/zinc/09/64/01/1125096401.db2.gz AVTOQXJWWKYNOL-UHFFFAOYSA-N 0 1 262.397 3.566 20 0 CHADMN CC(C)(C)c1cnc(CN2CCCCC[C@H]2CCO)s1 ZINC000342822206 1125409332 /nfs/dbraw/zinc/40/93/32/1125409332.db2.gz KBZLGNNCPKXWOS-ZDUSSCGKSA-N 0 1 296.480 3.568 20 0 CHADMN CCCCCN1CCN(c2ccc(F)cc2Cl)CC1 ZINC001168245182 1125430500 /nfs/dbraw/zinc/43/05/00/1125430500.db2.gz YLVVGXCSMPBLNJ-UHFFFAOYSA-N 0 1 284.806 3.791 20 0 CHADMN COc1ccc(F)c(CN2CCCC2(C)C)c1Cl ZINC001143365966 1131516911 /nfs/dbraw/zinc/51/69/11/1131516911.db2.gz ZSOPTXMGXBBHIJ-UHFFFAOYSA-N 0 1 271.763 3.862 20 0 CHADMN CCCOc1ccccc1CN1CCCC[C@@H](F)C1 ZINC001138995451 1131570188 /nfs/dbraw/zinc/57/01/88/1131570188.db2.gz LFNJMNSYRMQWFM-OAHLLOKOSA-N 0 1 265.372 3.799 20 0 CHADMN CCCC1CCN(Cc2cc(O)ccc2F)CC1 ZINC001140048808 1131658891 /nfs/dbraw/zinc/65/88/91/1131658891.db2.gz QFGKLWZYDLEIJO-UHFFFAOYSA-N 0 1 251.345 3.543 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])s1)C1CCCCCCC1 ZINC000846244454 1131703006 /nfs/dbraw/zinc/70/30/06/1131703006.db2.gz VUNLOCXEAWXQNC-UHFFFAOYSA-N 0 1 281.421 3.991 20 0 CHADMN C[C@H]1CN(Cc2cccc(O)c2Br)C2(CC2)C1 ZINC001140552561 1131789473 /nfs/dbraw/zinc/78/94/73/1131789473.db2.gz IVBDJIKJWBTHSH-SNVBAGLBSA-N 0 1 296.208 3.529 20 0 CHADMN CCN(Cc1[nH]cc(C)c1C)Cc1cccc(F)c1 ZINC001140861636 1131950158 /nfs/dbraw/zinc/95/01/58/1131950158.db2.gz KXMQHQPKKXBLLI-UHFFFAOYSA-N 0 1 260.356 3.793 20 0 CHADMN Cc1[nH]nc(CN[C@@H](C)c2c(F)cccc2Cl)c1C ZINC000716460757 1132025524 /nfs/dbraw/zinc/02/55/24/1132025524.db2.gz WBYUQUPMPYETBR-JTQLQIEISA-N 0 1 281.762 3.670 20 0 CHADMN CN(C)Cc1cc(F)ccc1O[C@@H]1CCCC[C@@H]1F ZINC001229858266 1132125115 /nfs/dbraw/zinc/12/51/15/1132125115.db2.gz KJTJYMWFXRWLMI-DZGCQCFKSA-N 0 1 269.335 3.547 20 0 CHADMN CC[C@@H](C)OCC[C@@H](C)NCc1c(F)cc(F)cc1F ZINC001172323628 1132160453 /nfs/dbraw/zinc/16/04/53/1132160453.db2.gz COSVGDSCSKPKJB-GHMZBOCLSA-N 0 1 289.341 3.787 20 0 CHADMN CC[C@@H](C)OCC[C@H](C)NCc1c(F)cc(F)cc1F ZINC001172323634 1132160620 /nfs/dbraw/zinc/16/06/20/1132160620.db2.gz COSVGDSCSKPKJB-WDEREUQCSA-N 0 1 289.341 3.787 20 0 CHADMN CC[C@@H](C)OCC[C@@H](C)N1Cc2cccc(OC)c2C1 ZINC001172348553 1132181820 /nfs/dbraw/zinc/18/18/20/1132181820.db2.gz QRGWCWZGIXNHNI-ZIAGYGMSSA-N 0 1 277.408 3.605 20 0 CHADMN CSc1cc(C)ccc1NC(=S)NCC(F)(F)F ZINC000840857137 1132295693 /nfs/dbraw/zinc/29/56/93/1132295693.db2.gz OCLKIESFMNEQAG-UHFFFAOYSA-N 0 1 294.367 3.566 20 0 CHADMN CC[C@@H]1CCCN1Cc1c(Cl)cc(OC)cc1OC ZINC001231697501 1132347098 /nfs/dbraw/zinc/34/70/98/1132347098.db2.gz YBYVVLINYQVUGB-LLVKDONJSA-N 0 1 283.799 3.732 20 0 CHADMN Oc1cc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)ccc1Cl ZINC001231729710 1132348474 /nfs/dbraw/zinc/34/84/74/1132348474.db2.gz AVYVJKNNWIQEHX-MNOVXSKESA-N 0 1 287.737 3.523 20 0 CHADMN Oc1cc(CN2C[C@H]3[C@H](CCC3(F)F)C2)ccc1Cl ZINC001231729710 1132348481 /nfs/dbraw/zinc/34/84/81/1132348481.db2.gz AVYVJKNNWIQEHX-MNOVXSKESA-N 0 1 287.737 3.523 20 0 CHADMN [O-]c1cc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)ccc1Cl ZINC001231729710 1132348489 /nfs/dbraw/zinc/34/84/89/1132348489.db2.gz AVYVJKNNWIQEHX-MNOVXSKESA-N 0 1 287.737 3.523 20 0 CHADMN [O-]c1cc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)ccc1Cl ZINC001231729710 1132348496 /nfs/dbraw/zinc/34/84/96/1132348496.db2.gz AVYVJKNNWIQEHX-MNOVXSKESA-N 0 1 287.737 3.523 20 0 CHADMN C[C@@H](CSc1ccc(Cl)cc1)N[C@@H]1C[C@H]1F ZINC001172876633 1132354175 /nfs/dbraw/zinc/35/41/75/1132354175.db2.gz AFYURFNXGQLYPL-XXILOJSOSA-N 0 1 259.777 3.521 20 0 CHADMN C[C@H](CSc1ccc(Cl)cc1)N1CC[C@H](F)C1 ZINC001172876832 1132355654 /nfs/dbraw/zinc/35/56/54/1132355654.db2.gz OEYQDSBVIWXBBO-PWSUYJOCSA-N 0 1 273.804 3.864 20 0 CHADMN Cc1cnc(CN)n1[C@H](C)CSc1ccc(Cl)cc1 ZINC001172877537 1132357108 /nfs/dbraw/zinc/35/71/08/1132357108.db2.gz CDIKIOWPZRLCCC-LLVKDONJSA-N 0 1 295.839 3.657 20 0 CHADMN CC(F)(F)CNC1CCC(Oc2ccccc2)CC1 ZINC001173195902 1132408574 /nfs/dbraw/zinc/40/85/74/1132408574.db2.gz ZVXSVDVGBIHMOJ-UHFFFAOYSA-N 0 1 269.335 3.621 20 0 CHADMN CN(Cc1ccc(Cl)cc1)Cc1cccc(CF)n1 ZINC001232536667 1132484307 /nfs/dbraw/zinc/48/43/07/1132484307.db2.gz KRJVOESZKSZSMU-UHFFFAOYSA-N 0 1 278.758 3.837 20 0 CHADMN CCN(Cc1cc(F)c(Cl)cc1Cl)CC(C)(C)O ZINC001232701635 1132507536 /nfs/dbraw/zinc/50/75/36/1132507536.db2.gz ZUSHXIGKXPOSTM-UHFFFAOYSA-N 0 1 294.197 3.725 20 0 CHADMN C[C@@H]1CCCCCN1Cc1ccc(Br)[nH]1 ZINC001232689569 1132507776 /nfs/dbraw/zinc/50/77/76/1132507776.db2.gz OJNXHRSZVFORID-SNVBAGLBSA-N 0 1 271.202 3.542 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(Br)co2)C1 ZINC001232856838 1132531057 /nfs/dbraw/zinc/53/10/57/1132531057.db2.gz GZRWYXFUMYAPAT-JTQLQIEISA-N 0 1 272.186 3.664 20 0 CHADMN Oc1cc(Br)cc(CN2CCCCCCC2)c1 ZINC001232998420 1132561010 /nfs/dbraw/zinc/56/10/10/1132561010.db2.gz RXFIBTDHRYOKGU-UHFFFAOYSA-N 0 1 298.224 3.921 20 0 CHADMN CCN(Cc1ccc(Cl)o1)Cc1cccc(OC)c1 ZINC001233316755 1132599188 /nfs/dbraw/zinc/59/91/88/1132599188.db2.gz AMKWFWSKUREZAT-UHFFFAOYSA-N 0 1 279.767 3.964 20 0 CHADMN Cc1cnsc1CN1Cc2ccccc2[C@H](C)C1 ZINC001233318004 1132599546 /nfs/dbraw/zinc/59/95/46/1132599546.db2.gz MCCIZZLVEXNLBG-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN COc1ccc(CN(C)C[C@@H]2CC2(C)C)c(Cl)c1O ZINC001233401281 1132615620 /nfs/dbraw/zinc/61/56/20/1132615620.db2.gz SZRWSJPARGOYRK-NSHDSACASA-N 0 1 283.799 3.532 20 0 CHADMN Cc1cccc(C(F)(F)F)c1Nc1ccncc1 ZINC001173883876 1132625948 /nfs/dbraw/zinc/62/59/48/1132625948.db2.gz YPYJBCHEZBYDFE-UHFFFAOYSA-N 0 1 252.239 3.574 20 0 CHADMN Cc1cc(-n2c(N)nc3c2cccc3C)c(C)s1 ZINC001174420610 1132837257 /nfs/dbraw/zinc/83/72/57/1132837257.db2.gz FVLYNFJMGDKOJW-UHFFFAOYSA-N 0 1 257.362 3.594 20 0 CHADMN FC[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC001204436231 1133447846 /nfs/dbraw/zinc/44/78/46/1133447846.db2.gz AUBDWFBQAKZJJF-JTQLQIEISA-N 0 1 259.727 3.661 20 0 CHADMN Cc1ccc(CN2CC[C@@H](OC(C)C)C2)cc1Cl ZINC001206418444 1133700849 /nfs/dbraw/zinc/70/08/49/1133700849.db2.gz DMTXVTRHJZWJID-CQSZACIVSA-N 0 1 267.800 3.648 20 0 CHADMN Cc1cc(Nc2cc(Cl)c(O)c(Cl)c2)on1 ZINC001210923142 1134327411 /nfs/dbraw/zinc/32/74/11/1134327411.db2.gz LDUNTFBHQBCLEZ-UHFFFAOYSA-N 0 1 259.092 3.739 20 0 CHADMN CCN1CCC[C@@H](Oc2cccc(C)c2Br)C1 ZINC001227131034 1135789552 /nfs/dbraw/zinc/78/95/52/1135789552.db2.gz VVOFNVFFEAZQNO-GFCCVEGCSA-N 0 1 298.224 3.621 20 0 CHADMN C[N@H+]1CCC[C@H](Oc2cc(Cl)c(O)cc2Cl)CC1 ZINC001227641857 1135852375 /nfs/dbraw/zinc/85/23/75/1135852375.db2.gz SPUUESVLXAIPMN-VIFPVBQESA-N 0 1 290.190 3.562 20 0 CHADMN C[N@@H+]1CCC[C@H](Oc2cc(Cl)c([O-])cc2Cl)CC1 ZINC001227641857 1135852379 /nfs/dbraw/zinc/85/23/79/1135852379.db2.gz SPUUESVLXAIPMN-VIFPVBQESA-N 0 1 290.190 3.562 20 0 CHADMN C[N@H+]1CCC[C@H](Oc2cc(Cl)c([O-])cc2Cl)CC1 ZINC001227641857 1135852384 /nfs/dbraw/zinc/85/23/84/1135852384.db2.gz SPUUESVLXAIPMN-VIFPVBQESA-N 0 1 290.190 3.562 20 0 CHADMN CCC(CC)(CO)NCc1csc(-c2cccs2)n1 ZINC000116347682 1125508701 /nfs/dbraw/zinc/50/87/01/1125508701.db2.gz SXYHSFTZXVIOCU-UHFFFAOYSA-N 0 1 296.461 3.512 20 0 CHADMN CCc1cccc(CC)c1NC(=O)CN1CCCCCC1 ZINC000014194699 1125518882 /nfs/dbraw/zinc/51/88/82/1125518882.db2.gz OWPYVVDMGUVQPW-UHFFFAOYSA-N 0 1 288.435 3.626 20 0 CHADMN COc1cccc(C)c1CN1CCC[C@H]1c1cc(C)no1 ZINC000637948691 1129237625 /nfs/dbraw/zinc/23/76/25/1129237625.db2.gz QGQGFQQHKMUOQD-HNNXBMFYSA-N 0 1 286.375 3.637 20 0 CHADMN CC1CCC(N(Cc2nccs2)C[C@@H]2CCCO2)CC1 ZINC000135101487 1125521695 /nfs/dbraw/zinc/52/16/95/1125521695.db2.gz NFQHDBAEIJORAM-NRXISQOPSA-N 0 1 294.464 3.703 20 0 CHADMN C[C@@H]1CN(Cc2nccs2)CC[C@@H]1c1ccccc1 ZINC000135100304 1125521919 /nfs/dbraw/zinc/52/19/19/1125521919.db2.gz CJJWXVJARISRIV-HIFRSBDPSA-N 0 1 272.417 3.769 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCC[C@@H]1c1cccs1 ZINC000118952496 1125528286 /nfs/dbraw/zinc/52/82/86/1125528286.db2.gz SILDQFADCAAMCO-LLVKDONJSA-N 0 1 291.347 3.570 20 0 CHADMN CCC(CC)[C@H](NCc1nccn1C)c1cccs1 ZINC000348313368 1125528749 /nfs/dbraw/zinc/52/87/49/1125528749.db2.gz KFSDZAVNFYIONG-HNNXBMFYSA-N 0 1 277.437 3.749 20 0 CHADMN CC(C)C[C@H]1CCCCN1C(=O)c1cccc2c[nH]nc21 ZINC000138407048 1125540401 /nfs/dbraw/zinc/54/04/01/1125540401.db2.gz PBAZUXMVJXAULE-CQSZACIVSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1occc1CNCc1ccc2c(c1)CC(C)(C)O2 ZINC000729678410 1125543120 /nfs/dbraw/zinc/54/31/20/1125543120.db2.gz UDTDVKJKUBUWNO-UHFFFAOYSA-N 0 1 271.360 3.591 20 0 CHADMN c1coc(CN(CCc2ccccn2)Cc2ccccc2)c1 ZINC000060474031 1125544909 /nfs/dbraw/zinc/54/49/09/1125544909.db2.gz GWZLQZOHJBEUPI-UHFFFAOYSA-N 0 1 292.382 3.920 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000194327342 1125553012 /nfs/dbraw/zinc/55/30/12/1125553012.db2.gz CNKDQNLUZMSBJH-KRWDZBQOSA-N 0 1 295.386 3.573 20 0 CHADMN CC(C)(C(=O)Nc1cccc(-c2nnc[nH]2)c1)C1CCCC1 ZINC000121158250 1125558174 /nfs/dbraw/zinc/55/81/74/1125558174.db2.gz VKHTULCHOFDKRU-UHFFFAOYSA-N 0 1 298.390 3.627 20 0 CHADMN Fc1ccc([C@H](N[C@@H]2CC[C@H](F)C2)c2ccccc2)nc1 ZINC000348325554 1125562524 /nfs/dbraw/zinc/56/25/24/1125562524.db2.gz LWLOYUIRQCWZTE-YSVLISHTSA-N 0 1 288.341 3.790 20 0 CHADMN CCOCC(C)(C)NCc1csc(Cl)c1Cl ZINC000393277972 1125564981 /nfs/dbraw/zinc/56/49/81/1125564981.db2.gz OADQDYRYDIVABK-UHFFFAOYSA-N 0 1 282.236 3.960 20 0 CHADMN CCc1nnc(CN2CC[C@H](c3ccccc3)[C@@H](CC)C2)o1 ZINC000245408014 1125571686 /nfs/dbraw/zinc/57/16/86/1125571686.db2.gz FCYWJVHXSBONKB-HOCLYGCPSA-N 0 1 299.418 3.648 20 0 CHADMN Fc1ccc2c(c1)nccc2NCc1cc(C2CC2)no1 ZINC000884638383 1125582320 /nfs/dbraw/zinc/58/23/20/1125582320.db2.gz WGHQHVRBFIFKDC-UHFFFAOYSA-N 0 1 283.306 3.851 20 0 CHADMN COc1ccc(CN2C[C@H](C)S[C@@H](C)C2)cc1Cl ZINC000532802796 1125582416 /nfs/dbraw/zinc/58/24/16/1125582416.db2.gz KWYYYKWGMQSFOV-QWRGUYRKSA-N 0 1 285.840 3.674 20 0 CHADMN COc1c(Cl)cccc1NCc1ccc2nc[nH]c2c1 ZINC000532890932 1125586651 /nfs/dbraw/zinc/58/66/51/1125586651.db2.gz RFFWUPAVAIACQY-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN Cc1cc(C(=O)CN(C)[C@@H](C)C(C)(C)C)c(C)n1C1CC1 ZINC000532929215 1125588336 /nfs/dbraw/zinc/58/83/36/1125588336.db2.gz GARRQAXZSQREGF-AWEZNQCLSA-N 0 1 290.451 3.989 20 0 CHADMN C[C@@H](N(C)Cc1ccn(C2CCCC2)n1)C(C)(C)C ZINC000532927635 1125589362 /nfs/dbraw/zinc/58/93/62/1125589362.db2.gz GYVOPEKZBRMCBX-CYBMUJFWSA-N 0 1 263.429 3.865 20 0 CHADMN Cc1ncccc1CN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000245790307 1125595136 /nfs/dbraw/zinc/59/51/36/1125595136.db2.gz WAEBSMYNLGLJDV-CJNGLKHVSA-N 0 1 270.376 3.956 20 0 CHADMN CCCn1ccc2cc(NC(=O)c3[nH]cnc3CC)ccc21 ZINC001625981942 1125600436 /nfs/dbraw/zinc/60/04/36/1125600436.db2.gz TUPDYLIJMPRLPT-UHFFFAOYSA-N 0 1 296.374 3.589 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N(C)CCC(=O)OC(C)(C)C ZINC000533481996 1125609802 /nfs/dbraw/zinc/60/98/02/1125609802.db2.gz XIDQOXSOBJPLRO-LLVKDONJSA-N 0 1 299.361 3.689 20 0 CHADMN COC(=O)c1cc(CNC2(c3ccccc3)CCC2)c(C)o1 ZINC000533488433 1125610439 /nfs/dbraw/zinc/61/04/39/1125610439.db2.gz HQGVIDBWJMPJRL-UHFFFAOYSA-N 0 1 299.370 3.544 20 0 CHADMN CC[C@@H](C)CN(C)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000533557807 1125614500 /nfs/dbraw/zinc/61/45/00/1125614500.db2.gz YQENNXDBZXQTOJ-GFCCVEGCSA-N 0 1 293.361 3.628 20 0 CHADMN CC(C)(C)Oc1ccncc1NCc1ccc2nc[nH]c2c1 ZINC000533584086 1125617687 /nfs/dbraw/zinc/61/76/87/1125617687.db2.gz PTISNEDGPAHWPS-UHFFFAOYSA-N 0 1 296.374 3.747 20 0 CHADMN COc1cc(CNCc2cc(C)co2)ccc1OC(C)C ZINC000885921301 1125627514 /nfs/dbraw/zinc/62/75/14/1125627514.db2.gz YQFBEFFGWXCMJH-UHFFFAOYSA-N 0 1 289.375 3.674 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1cn2ccccc2n1 ZINC000066696222 1125624643 /nfs/dbraw/zinc/62/46/43/1125624643.db2.gz KGSRWKKZULFVQX-CQSZACIVSA-N 0 1 265.360 3.527 20 0 CHADMN Cc1ncsc1CN(C)CCCOc1ccccc1C ZINC000066563736 1125624988 /nfs/dbraw/zinc/62/49/88/1125624988.db2.gz XILXNUXUQVSTIJ-UHFFFAOYSA-N 0 1 290.432 3.661 20 0 CHADMN COc1cc(C)cc(CNCc2ccc(C)cc2)c1OC ZINC000885896480 1125625620 /nfs/dbraw/zinc/62/56/20/1125625620.db2.gz GTXHVZSYJRJKSS-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN Cc1coc(CNCc2ccccc2COC(C)C)c1 ZINC000885914539 1125626260 /nfs/dbraw/zinc/62/62/60/1125626260.db2.gz ZBLUKPYBUOTGLT-UHFFFAOYSA-N 0 1 273.376 3.803 20 0 CHADMN C[C@@H](c1ccco1)N(C(=O)c1[nH]nc2ccccc21)C1CC1 ZINC000068210494 1125627687 /nfs/dbraw/zinc/62/76/87/1125627687.db2.gz VCQILWJXRBAJCL-NSHDSACASA-N 0 1 295.342 3.522 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1[nH]nc(C)c1C ZINC000885929162 1125627160 /nfs/dbraw/zinc/62/71/60/1125627160.db2.gz LQFHAOWPPSVGHM-AWEZNQCLSA-N 0 1 287.407 3.731 20 0 CHADMN Clc1ccc(CNCc2cc3c(s2)CCCC3)nc1 ZINC000885948838 1125630714 /nfs/dbraw/zinc/63/07/14/1125630714.db2.gz HDTLMFSLQBSTSX-UHFFFAOYSA-N 0 1 292.835 3.965 20 0 CHADMN Cc1csc([C@H](C)NC/C=C/c2cccc(F)c2)n1 ZINC000885967135 1125631134 /nfs/dbraw/zinc/63/11/34/1125631134.db2.gz IHMIRDWESCDDRO-FUEXJSSKSA-N 0 1 276.380 3.955 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1Cc1nccn1C(F)F ZINC000072775908 1125634845 /nfs/dbraw/zinc/63/48/45/1125634845.db2.gz NKFLZRDRIKAISD-VXGBXAGGSA-N 0 1 271.355 3.679 20 0 CHADMN CCSc1cccc(NC(=O)[C@@H]2CCCCN2CC)c1 ZINC000072875001 1125636767 /nfs/dbraw/zinc/63/67/67/1125636767.db2.gz SWAUNGVSLDOTRT-HNNXBMFYSA-N 0 1 292.448 3.612 20 0 CHADMN CCCOc1cc(C)ccc1NCc1n[nH]c(C)c1C ZINC000886030586 1125639344 /nfs/dbraw/zinc/63/93/44/1125639344.db2.gz OPCDPRUTEBSISQ-UHFFFAOYSA-N 0 1 273.380 3.736 20 0 CHADMN CC[C@@H](C)C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000074016615 1125639611 /nfs/dbraw/zinc/63/96/11/1125639611.db2.gz XQRWWGDMHYQEDR-LLVKDONJSA-N 0 1 294.358 3.610 20 0 CHADMN Fc1cccc([C@@H]2CCN2C[C@@H]2CC[C@H](C3CC3)O2)c1 ZINC000886033391 1125639645 /nfs/dbraw/zinc/63/96/45/1125639645.db2.gz TYOFJXXPGSZJGV-YESZJQIVSA-N 0 1 275.367 3.530 20 0 CHADMN Cc1[nH]nc(CNc2ccc(C)c(Br)c2)c1C ZINC000886027956 1125639658 /nfs/dbraw/zinc/63/96/58/1125639658.db2.gz KNJLPMHKWYPSLK-UHFFFAOYSA-N 0 1 294.196 3.710 20 0 CHADMN Cc1[nH]nc(CNc2ccc(F)cc2OC(C)(C)C)c1C ZINC000886052350 1125640813 /nfs/dbraw/zinc/64/08/13/1125640813.db2.gz OURYRFLQLJQQEE-UHFFFAOYSA-N 0 1 291.370 3.955 20 0 CHADMN Cc1cccc([C@H]2CCCN2CCSC(F)(F)F)n1 ZINC000886043792 1125641030 /nfs/dbraw/zinc/64/10/30/1125641030.db2.gz JSGHXVOOCYOKMN-GFCCVEGCSA-N 0 1 290.354 3.780 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246547814 1125646017 /nfs/dbraw/zinc/64/60/17/1125646017.db2.gz GRAYLAQIAAATFN-MCIONIFRSA-N 0 1 292.423 3.534 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCCC[C@@H](SC)C2)n1 ZINC000246522370 1125646113 /nfs/dbraw/zinc/64/61/13/1125646113.db2.gz IUVKXYGQNMDFGL-CHWSQXEVSA-N 0 1 297.468 3.691 20 0 CHADMN CCCN(Cc1ccon1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000246971663 1125652228 /nfs/dbraw/zinc/65/22/28/1125652228.db2.gz LCRJCWNCUXVMNV-JKSUJKDBSA-N 0 1 292.423 3.624 20 0 CHADMN COc1cc(C)cc(CNCc2cc(C)cs2)c1OC ZINC000886131833 1125653890 /nfs/dbraw/zinc/65/38/90/1125653890.db2.gz ITACXLTVSBHOQT-UHFFFAOYSA-N 0 1 291.416 3.672 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(-c3ccco3)on2)[C@H]1C ZINC000247115007 1125656204 /nfs/dbraw/zinc/65/62/04/1125656204.db2.gz YNBXXZSIHJXREH-NEPJUHHUSA-N 0 1 260.337 3.555 20 0 CHADMN c1cc(-c2noc(CN3CCC[C@H]4CCC[C@H]43)n2)cs1 ZINC000247458773 1125656280 /nfs/dbraw/zinc/65/62/80/1125656280.db2.gz IDNCWUCDACKSSN-DGCLKSJQSA-N 0 1 289.404 3.563 20 0 CHADMN Cc1cnc(CN2CC[C@@H](c3ccccc3)[C@@H](C)C2)o1 ZINC000247472603 1125656698 /nfs/dbraw/zinc/65/66/98/1125656698.db2.gz JKICTHAPBQEMQR-XJKSGUPXSA-N 0 1 270.376 3.609 20 0 CHADMN Cc1[nH]nc(CNc2cccc3c2OC(C)(C)C=C3)c1C ZINC000886176659 1125658506 /nfs/dbraw/zinc/65/85/06/1125658506.db2.gz ICIAVXRTYWVATG-UHFFFAOYSA-N 0 1 283.375 3.823 20 0 CHADMN Cc1coc(CNCc2ccccc2CC(F)(F)F)c1 ZINC000886173413 1125659180 /nfs/dbraw/zinc/65/91/80/1125659180.db2.gz OSFXWRGPSCJGRU-UHFFFAOYSA-N 0 1 283.293 3.983 20 0 CHADMN CCS[C@H](C)c1noc(CN(CC)[C@H](C)C(C)C)n1 ZINC000248006844 1125662111 /nfs/dbraw/zinc/66/21/11/1125662111.db2.gz KXQSSPJQCZRHJO-VXGBXAGGSA-N 0 1 285.457 3.750 20 0 CHADMN CCS[C@H]1CC[C@@H](N(C)Cc2csc(CC)n2)C1 ZINC000076071579 1125665980 /nfs/dbraw/zinc/66/59/80/1125665980.db2.gz XIDZUMYEHMGIDH-OLZOCXBDSA-N 0 1 284.494 3.812 20 0 CHADMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNCc1ncc(C(F)(F)F)s1 ZINC000886281200 1125666929 /nfs/dbraw/zinc/66/69/29/1125666929.db2.gz UPJJKNVPZFXTFX-DOLQZWNJSA-N 0 1 290.354 3.544 20 0 CHADMN CCCC[C@@H]1CCC[C@H]1NCc1nc([C@H](C)OCC)no1 ZINC000248398869 1125667174 /nfs/dbraw/zinc/66/71/74/1125667174.db2.gz NWLMFEKTFPZABM-BFHYXJOUSA-N 0 1 295.427 3.616 20 0 CHADMN C[C@H](COCc1ccccc1)CN1Cc2ccc(O)cc2C1 ZINC000886297370 1125667624 /nfs/dbraw/zinc/66/76/24/1125667624.db2.gz PEMKGUMIUCTZCO-HNNXBMFYSA-N 0 1 297.398 3.561 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccccn2)o1 ZINC000076120325 1125668316 /nfs/dbraw/zinc/66/83/16/1125668316.db2.gz CPJCYNJCKSJRSD-XJKSGUPXSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N[C@@H](C)c2nccnc2C)c1 ZINC000219077381 1125669712 /nfs/dbraw/zinc/66/97/12/1125669712.db2.gz DIEHDLWWPWVTQN-HIFRSBDPSA-N 0 1 269.392 3.814 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1C[C@H](C)CC[C@@H]1C ZINC000076149906 1125670827 /nfs/dbraw/zinc/67/08/27/1125670827.db2.gz ABGMHIXSJHNSKU-HIFRSBDPSA-N 0 1 288.435 3.616 20 0 CHADMN C[C@@H]1CCCN(Cc2nnc(-c3ccccc3)s2)[C@H]1C ZINC000248631242 1125672024 /nfs/dbraw/zinc/67/20/24/1125672024.db2.gz QTHCNLUAVJFOLO-OLZOCXBDSA-N 0 1 287.432 3.826 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1ccc(Cl)nc1 ZINC000886361852 1125672294 /nfs/dbraw/zinc/67/22/94/1125672294.db2.gz XVHFKJUHUIAUGC-AWEZNQCLSA-N 0 1 276.742 3.651 20 0 CHADMN COc1cccc(CN(C)Cc2cc(Cl)ccc2N)c1 ZINC000093631839 1125673456 /nfs/dbraw/zinc/67/34/56/1125673456.db2.gz JOKVQEGRUJSHED-UHFFFAOYSA-N 0 1 290.794 3.563 20 0 CHADMN C[C@H](c1ccccn1)N(C)C[C@H]1CCC2(CCCCC2)O1 ZINC000248895570 1125676093 /nfs/dbraw/zinc/67/60/93/1125676093.db2.gz ZSJRDIIMNHMMEN-HZPDHXFCSA-N 0 1 288.435 3.956 20 0 CHADMN Cc1ccnc(CNC2(C3CC3)CCC2)c1Br ZINC000886389657 1125676307 /nfs/dbraw/zinc/67/63/07/1125676307.db2.gz SHLLCRLIQPXWGJ-UHFFFAOYSA-N 0 1 295.224 3.575 20 0 CHADMN c1ccc2c(c1)CSC[C@@H]2N[C@H]1CCc2cccnc21 ZINC000886516544 1125682401 /nfs/dbraw/zinc/68/24/01/1125682401.db2.gz NBJUVFISDDSUJJ-HOTGVXAUSA-N 0 1 282.412 3.647 20 0 CHADMN c1ccc2c(c1)OCCC[C@@H]2N[C@@H]1CCc2cccnc21 ZINC000886520365 1125682679 /nfs/dbraw/zinc/68/26/79/1125682679.db2.gz CCGBAXFKXWFLGY-JKSUJKDBSA-N 0 1 280.371 3.572 20 0 CHADMN Cc1conc1CN1CC[C@@H](C)[C@H]1c1ccccc1 ZINC000886541201 1125687387 /nfs/dbraw/zinc/68/73/87/1125687387.db2.gz RRGUIWAYDMZMSW-WBMJQRKESA-N 0 1 256.349 3.566 20 0 CHADMN Fc1ccc2c(c1)OCCC[C@H]2N[C@H]1CCc2cccnc21 ZINC000886580677 1125692683 /nfs/dbraw/zinc/69/26/83/1125692683.db2.gz USIHRISRWZOSRQ-CVEARBPZSA-N 0 1 298.361 3.712 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cnc(C(C)(C)C)nc2)cc1 ZINC000284396313 1125693353 /nfs/dbraw/zinc/69/33/53/1125693353.db2.gz PNBHIOCJIXPHND-CQSZACIVSA-N 0 1 283.419 3.933 20 0 CHADMN Cc1ccc(CNCc2cccc(OC(C)(C)C)n2)s1 ZINC000348392102 1125694428 /nfs/dbraw/zinc/69/44/28/1125694428.db2.gz OQDJTDBDGQBPIT-UHFFFAOYSA-N 0 1 290.432 3.919 20 0 CHADMN CC(C)OC(=O)C1CCN([C@H](C)c2ccccc2F)CC1 ZINC000886721640 1125713523 /nfs/dbraw/zinc/71/35/23/1125713523.db2.gz FXRSJBRADJPYMC-CYBMUJFWSA-N 0 1 293.382 3.550 20 0 CHADMN Cc1cncc(CNC(C)(C)c2ccc(F)cc2F)c1 ZINC000886898186 1125724786 /nfs/dbraw/zinc/72/47/86/1125724786.db2.gz UKANXBPUJHUETK-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN C[C@@H]1CC[C@H](CO)CN1Cc1cc(Cl)cc(Cl)c1 ZINC000093738169 1125726099 /nfs/dbraw/zinc/72/60/99/1125726099.db2.gz BUTFXMJSENVMRW-MNOVXSKESA-N 0 1 288.218 3.586 20 0 CHADMN Cc1cccc(CCN(C)Cc2cnccc2Cl)c1 ZINC001137236608 1125729126 /nfs/dbraw/zinc/72/91/26/1125729126.db2.gz IMQCOYADUTUVHJ-UHFFFAOYSA-N 0 1 274.795 3.718 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)[C@@H]3C[C@@H]3C3CC3)c2C1 ZINC000162192544 1125743406 /nfs/dbraw/zinc/74/34/06/1125743406.db2.gz NQJHFSUJDDSIJB-HZPDHXFCSA-N 0 1 298.430 3.643 20 0 CHADMN Cc1cc([C@H](C)NCc2cccc(N(C)C)n2)c(C)s1 ZINC000090850830 1125747265 /nfs/dbraw/zinc/74/72/65/1125747265.db2.gz KCCRSXDTHVHSSY-LBPRGKRZSA-N 0 1 289.448 3.677 20 0 CHADMN C[C@@H]1OCC[C@@H]1N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000090969090 1125747294 /nfs/dbraw/zinc/74/72/94/1125747294.db2.gz XUBFEQJEBJBHBK-XDTLVQLUSA-N 0 1 291.288 3.586 20 0 CHADMN COc1ccccc1[C@@H](N[C@H](C)C1CCC1)c1ccccn1 ZINC000090913525 1125747531 /nfs/dbraw/zinc/74/75/31/1125747531.db2.gz MHRRBAZEYLQPFY-AUUYWEPGSA-N 0 1 296.414 3.958 20 0 CHADMN CCc1ccc([C@@H](C)Cc2nc(C3(N)CCCC3)no2)cc1 ZINC000262023369 1125751284 /nfs/dbraw/zinc/75/12/84/1125751284.db2.gz WIRCRPNUTHQGHR-ZDUSSCGKSA-N 0 1 299.418 3.706 20 0 CHADMN Cc1ccc(/C=C/c2nc(C3(N)CCC3)no2)cc1Cl ZINC000262017501 1125751301 /nfs/dbraw/zinc/75/13/01/1125751301.db2.gz VWEDMULNOAAKTQ-AATRIKPKSA-N 0 1 289.766 3.540 20 0 CHADMN CC[C@H](CN[C@H](C)c1nccs1)Oc1ccccc1F ZINC000091733271 1125751710 /nfs/dbraw/zinc/75/17/10/1125751710.db2.gz MHNGQBXXMPYBPZ-VXGBXAGGSA-N 0 1 294.395 3.790 20 0 CHADMN Clc1ncc(CN2CCCCCCCC2)s1 ZINC000321979674 1125756845 /nfs/dbraw/zinc/75/68/45/1125756845.db2.gz TVYNQFOIJHSQOW-UHFFFAOYSA-N 0 1 258.818 3.953 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@H]1CCCc2ccc(F)cc21 ZINC000655764139 1125764429 /nfs/dbraw/zinc/76/44/29/1125764429.db2.gz DBYWTOYRNRIUNC-PXAZEXFGSA-N 0 1 285.366 3.652 20 0 CHADMN Cc1cccnc1CN(C)[C@H](C)c1ccc(F)cc1 ZINC000093157597 1125765100 /nfs/dbraw/zinc/76/51/00/1125765100.db2.gz AAVMHQQUXVLQJC-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN C[C@@H](NCCOc1cccc(Cl)c1)c1nccs1 ZINC000093402092 1125769336 /nfs/dbraw/zinc/76/93/36/1125769336.db2.gz UNCCPBUOPIRJAI-SNVBAGLBSA-N 0 1 282.796 3.526 20 0 CHADMN CCc1nc(C)c([C@@H](C)N(C)Cc2ccn(C)c2)s1 ZINC000093612452 1125770656 /nfs/dbraw/zinc/77/06/56/1125770656.db2.gz ONYSSRLBHAKPJE-GFCCVEGCSA-N 0 1 277.437 3.545 20 0 CHADMN CC(=O)Nc1ccccc1CN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000093867586 1125774553 /nfs/dbraw/zinc/77/45/53/1125774553.db2.gz AVXMHZIXYGDFEJ-KUHUBIRLSA-N 0 1 294.398 3.838 20 0 CHADMN CCc1cccc(Cl)c1CNC1CC(F)(F)C1 ZINC000428653553 1125786077 /nfs/dbraw/zinc/78/60/77/1125786077.db2.gz SMYKDCPHDFKLQP-UHFFFAOYSA-N 0 1 259.727 3.790 20 0 CHADMN COC[C@@H](N[C@@H](C)c1ccnc(Cl)c1)c1ccccc1 ZINC000089668618 1129245968 /nfs/dbraw/zinc/24/59/68/1129245968.db2.gz LTPGYYSYWPTMHB-SWLSCSKDSA-N 0 1 290.794 3.773 20 0 CHADMN CCOc1cccc(CNCc2c(C)cccc2OC)c1 ZINC000638370746 1129255780 /nfs/dbraw/zinc/25/57/80/1129255780.db2.gz FZYAURLGZWLSMS-UHFFFAOYSA-N 0 1 285.387 3.692 20 0 CHADMN C[C@H](Cc1ccsc1)NCc1nc2ccccc2o1 ZINC000638404712 1129256763 /nfs/dbraw/zinc/25/67/63/1129256763.db2.gz LCPCWKKZLJSLMW-LLVKDONJSA-N 0 1 272.373 3.610 20 0 CHADMN CN(Cc1cc(F)cc(N2CCCC2)c1)C1CC(F)(F)C1 ZINC001238700220 1131233989 /nfs/dbraw/zinc/23/39/89/1131233989.db2.gz ZEHMKDHLHJQAGX-UHFFFAOYSA-N 0 1 298.352 3.655 20 0 CHADMN COCC1(C2CC2)CN(Cc2ccc(Cl)cc2C)C1 ZINC000639382871 1129309005 /nfs/dbraw/zinc/30/90/05/1129309005.db2.gz JYCNHFQNLCGHHQ-UHFFFAOYSA-N 0 1 279.811 3.507 20 0 CHADMN CCN(CC(C)=O)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000639462892 1129317944 /nfs/dbraw/zinc/31/79/44/1129317944.db2.gz FMUDHPXHQKVJDV-LLVKDONJSA-N 0 1 273.298 3.677 20 0 CHADMN CCOc1cncc(CN(C)[C@@H](C)c2cccs2)c1 ZINC000621712020 1129184839 /nfs/dbraw/zinc/18/48/39/1129184839.db2.gz PITQJWGAFXKWNS-LBPRGKRZSA-N 0 1 276.405 3.735 20 0 CHADMN C[C@@H](NCCC(C)(C)C1CC1)c1nc(C(C)(C)C)no1 ZINC000642680345 1129424015 /nfs/dbraw/zinc/42/40/15/1129424015.db2.gz ZEJLURIUAKKZIM-LLVKDONJSA-N 0 1 279.428 3.844 20 0 CHADMN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1CCCCF ZINC000795909703 1129457505 /nfs/dbraw/zinc/45/75/05/1129457505.db2.gz SZDTVGIOLYFJQF-YCPHGPKFSA-N 0 1 265.372 3.587 20 0 CHADMN Cc1cc(CN2C[C@@H](C)OC3(CCCC3)C2)cs1 ZINC000648076927 1129597528 /nfs/dbraw/zinc/59/75/28/1129597528.db2.gz QYXPTDKUAVUVJW-GFCCVEGCSA-N 0 1 265.422 3.590 20 0 CHADMN Cc1ccc(CNCc2cc(C)cc(Cl)n2)c(C)c1 ZINC000800284251 1129863931 /nfs/dbraw/zinc/86/39/31/1129863931.db2.gz BGINKJDXBINMMI-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN CC(C)c1ncc(C(=O)N2CCC(C)(C)CC(C)(C)C2)[nH]1 ZINC001118787540 1131237195 /nfs/dbraw/zinc/23/71/95/1131237195.db2.gz RXVFJQVPKZILMX-UHFFFAOYSA-N 0 1 291.439 3.822 20 0 CHADMN Clc1ccc(C2(N[C@H]3CCCOC3)CC2)c(Cl)c1 ZINC001254366067 1130239760 /nfs/dbraw/zinc/23/97/60/1130239760.db2.gz MZFAHUKDJLTZTE-NSHDSACASA-N 0 1 286.202 3.751 20 0 CHADMN Clc1cc(CN[C@H]2CO[C@H](C3CC3)C2)c(Cl)s1 ZINC000667921305 1126704295 /nfs/dbraw/zinc/70/42/95/1126704295.db2.gz AWAQSTISUFBUEU-ZJUUUORDSA-N 0 1 292.231 3.712 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1coc2ccccc12 ZINC000924766900 1126707282 /nfs/dbraw/zinc/70/72/82/1126707282.db2.gz SYNNGLKRPGHBGW-OYYNGEPBSA-N 0 1 293.366 3.742 20 0 CHADMN CC(=O)c1cc(C[N@@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)on1 ZINC000555880727 1126708563 /nfs/dbraw/zinc/70/85/63/1126708563.db2.gz WIDKWEXPNKDTCM-DZGCQCFKSA-N 0 1 298.386 3.564 20 0 CHADMN CC(=O)c1cc(CN2C[C@H](c3ccccc3C)C[C@@H]2C)on1 ZINC000555880727 1126708566 /nfs/dbraw/zinc/70/85/66/1126708566.db2.gz WIDKWEXPNKDTCM-DZGCQCFKSA-N 0 1 298.386 3.564 20 0 CHADMN CC(C)(C)c1nnc(CN[C@H]2CC[C@H]2C2CCC2)s1 ZINC000338003876 1126708936 /nfs/dbraw/zinc/70/89/36/1126708936.db2.gz WRIKZDXJKSWJRR-RYUDHWBXSA-N 0 1 279.453 3.504 20 0 CHADMN CC[C@H](CN(CC)CC(=O)c1cccn1C)c1ccccc1 ZINC000481733761 1126710801 /nfs/dbraw/zinc/71/08/01/1126710801.db2.gz IXDUCFDNDLAYKC-MRXNPFEDSA-N 0 1 298.430 3.724 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccncc2F)cc1 ZINC000338012907 1126710955 /nfs/dbraw/zinc/71/09/55/1126710955.db2.gz BSFGGGSSZATWGA-QWHCGFSZSA-N 0 1 258.340 3.941 20 0 CHADMN CC[C@H](F)CN1CCC(c2ccccc2F)CC1 ZINC000555927249 1126713268 /nfs/dbraw/zinc/71/32/68/1126713268.db2.gz ASQJLWYEHXXHCL-ZDUSSCGKSA-N 0 1 253.336 3.753 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000338206587 1126723445 /nfs/dbraw/zinc/72/34/45/1126723445.db2.gz MFTMXYUHPQKMRM-KGLIPLIRSA-N 0 1 285.391 3.920 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](CCF)C2)c(Cl)n1 ZINC000689490049 1130263370 /nfs/dbraw/zinc/26/33/70/1130263370.db2.gz GEUBHAMKZTWKAL-LBPRGKRZSA-N 0 1 270.779 3.615 20 0 CHADMN Cc1c[nH]cc1C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000338261779 1126728490 /nfs/dbraw/zinc/72/84/90/1126728490.db2.gz KRFODFMYZCOGFE-UHFFFAOYSA-N 0 1 296.374 3.749 20 0 CHADMN CC(C)COC[C@H](NCCSC(C)C)c1ccco1 ZINC000338291705 1126731763 /nfs/dbraw/zinc/73/17/63/1126731763.db2.gz PHUQWRAXNKJKGB-AWEZNQCLSA-N 0 1 285.453 3.725 20 0 CHADMN CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000481911524 1126733433 /nfs/dbraw/zinc/73/34/33/1126733433.db2.gz RAJIJFMGVIVZKA-XPTSAGLGSA-N 0 1 285.746 3.805 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@@H](C(C)C)CC2)s1 ZINC000338309991 1126734051 /nfs/dbraw/zinc/73/40/51/1126734051.db2.gz WPNBEHLMBHCTLP-DGCLKSJQSA-N 0 1 267.442 3.666 20 0 CHADMN Cc1cc2[nH]c(CN3CCC[C@H]4COCC[C@@H]43)cc2c(C)c1 ZINC000481983738 1126736568 /nfs/dbraw/zinc/73/65/68/1126736568.db2.gz SPHCTIJETBXTFW-KXBFYZLASA-N 0 1 298.430 3.786 20 0 CHADMN COCC[C@H](N[C@H](C)c1ccncc1F)c1ccccc1 ZINC000338364649 1126738447 /nfs/dbraw/zinc/73/84/47/1126738447.db2.gz DQCRLHPDRMYNRG-DYVFJYSZSA-N 0 1 288.366 3.649 20 0 CHADMN CC[C@H]1CCC[N@H+]1Cc1cccc(Br)c1OC ZINC000481994818 1126739022 /nfs/dbraw/zinc/73/90/22/1126739022.db2.gz YBVHKXQYMYHBFT-LBPRGKRZSA-N 0 1 298.224 3.832 20 0 CHADMN CC[C@H]1CCCN1Cc1cccc(Br)c1OC ZINC000481994818 1126739025 /nfs/dbraw/zinc/73/90/25/1126739025.db2.gz YBVHKXQYMYHBFT-LBPRGKRZSA-N 0 1 298.224 3.832 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cccc2n[nH]cc21 ZINC000348486366 1126740889 /nfs/dbraw/zinc/74/08/89/1126740889.db2.gz YMNGVISSAYJUKA-LRDDRELGSA-N 0 1 285.391 3.604 20 0 CHADMN CC(C)(C)c1csc(CSc2nc(C3CC3)n[nH]2)n1 ZINC000150864381 1126746783 /nfs/dbraw/zinc/74/67/83/1126746783.db2.gz HCVFVWXSOCJEAH-UHFFFAOYSA-N 0 1 294.449 3.728 20 0 CHADMN CC(C)(C)c1csc(CSc2n[nH]c(C3CC3)n2)n1 ZINC000150864381 1126746785 /nfs/dbraw/zinc/74/67/85/1126746785.db2.gz HCVFVWXSOCJEAH-UHFFFAOYSA-N 0 1 294.449 3.728 20 0 CHADMN CCOc1ccc(-c2nc(CN(C)[C@H](C)CC)co2)cc1 ZINC000158180146 1126749356 /nfs/dbraw/zinc/74/93/56/1126749356.db2.gz NXOGQQYEXVYRAH-CYBMUJFWSA-N 0 1 288.391 3.971 20 0 CHADMN C=Cn1cc(CN[C@H](C)c2cccc(C(F)(F)F)c2)cn1 ZINC000194347637 1126759388 /nfs/dbraw/zinc/75/93/88/1126759388.db2.gz UMYBVBRXGNOHPE-LLVKDONJSA-N 0 1 295.308 3.853 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000429565345 1126760506 /nfs/dbraw/zinc/76/05/06/1126760506.db2.gz RZDKBNUYYBCOCL-GUYCJALGSA-N 0 1 287.382 3.632 20 0 CHADMN Cc1ccn2cc(CN[C@@H]3CCc4c3cccc4C)nc2c1 ZINC000482496210 1126761766 /nfs/dbraw/zinc/76/17/66/1126761766.db2.gz NWHOGBCWKKJXJI-GOSISDBHSA-N 0 1 291.398 3.728 20 0 CHADMN COc1ccsc1CN1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000482505867 1126761787 /nfs/dbraw/zinc/76/17/87/1126761787.db2.gz ILHLKQWQNPNEDT-ZJUUUORDSA-N 0 1 293.354 3.920 20 0 CHADMN CCCCOc1ccccc1CN1CC=C(COC)CC1 ZINC000482509653 1126762956 /nfs/dbraw/zinc/76/29/56/1126762956.db2.gz MPFKXYGWVRZQTJ-UHFFFAOYSA-N 0 1 289.419 3.644 20 0 CHADMN Cc1cccc(C(C)(C)NCc2cn3ccccc3n2)c1 ZINC000174409764 1126769741 /nfs/dbraw/zinc/76/97/41/1126769741.db2.gz XYKMVYIMJVMLNG-UHFFFAOYSA-N 0 1 279.387 3.668 20 0 CHADMN CCC(CC)[N@@H+](CC)Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000902547352 1126767631 /nfs/dbraw/zinc/76/76/31/1126767631.db2.gz PAFSLJSQENCELF-CYBMUJFWSA-N 0 1 293.407 3.549 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)N(C)Cc1cnccn1 ZINC000174650461 1126772238 /nfs/dbraw/zinc/77/22/38/1126772238.db2.gz KQNIYQQXPFIKFH-OAHLLOKOSA-N 0 1 275.783 3.713 20 0 CHADMN CC(C)[C@@H]1CN(Cc2nccn2C(C)C)[C@@H]1C(C)C ZINC000668220604 1126773457 /nfs/dbraw/zinc/77/34/57/1126773457.db2.gz WSCOUYDTEYSWGV-GOEBONIOSA-N 0 1 263.429 3.576 20 0 CHADMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@H](C)C2CC2)[nH]1 ZINC000175266486 1126780544 /nfs/dbraw/zinc/78/05/44/1126780544.db2.gz YGURIHOAHAKEIR-LLVKDONJSA-N 0 1 298.390 3.580 20 0 CHADMN COC1(C[N@H+]2CCc3cccc(F)c3C2)CCCCC1 ZINC000483261152 1126776123 /nfs/dbraw/zinc/77/61/23/1126776123.db2.gz FHTDFPHHDWWMNA-UHFFFAOYSA-N 0 1 277.383 3.533 20 0 CHADMN CN(Cc1cc(C2CC2)no1)[C@H]1CCc2ccccc21 ZINC000659836353 1126777069 /nfs/dbraw/zinc/77/70/69/1126777069.db2.gz ZTMPHNSOTSTVED-KRWDZBQOSA-N 0 1 268.360 3.671 20 0 CHADMN Cc1nc(CN[C@@H](C)Cc2ccccc2Cl)c(C)o1 ZINC001170248300 1130472964 /nfs/dbraw/zinc/47/29/64/1130472964.db2.gz OKFJBLZLJZSUGP-JTQLQIEISA-N 0 1 278.783 3.666 20 0 CHADMN Cc1cc(-c2noc(CN(C)[C@H](C)C(C)C)n2)ccc1F ZINC000483406302 1126784782 /nfs/dbraw/zinc/78/47/82/1126784782.db2.gz LKDYVOGBXDFBMV-GFCCVEGCSA-N 0 1 291.370 3.660 20 0 CHADMN c1cc(CNCc2ccccc2OC2CCCC2)c[nH]1 ZINC000175698951 1126784947 /nfs/dbraw/zinc/78/49/47/1126784947.db2.gz RRCDBKCYANJAKZ-UHFFFAOYSA-N 0 1 270.376 3.626 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2ccsc2Cl)C[C@@H]1O ZINC000483319080 1126781507 /nfs/dbraw/zinc/78/15/07/1126781507.db2.gz JLNKZFAWVOBEKI-RYUDHWBXSA-N 0 1 287.856 3.630 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2CCC[C@H](C)C2)no1 ZINC000483322175 1126781611 /nfs/dbraw/zinc/78/16/11/1126781611.db2.gz HDZINVGTKMNZCW-GXTWGEPZSA-N 0 1 285.391 3.713 20 0 CHADMN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccccc1 ZINC000175410575 1126782058 /nfs/dbraw/zinc/78/20/58/1126782058.db2.gz QBTPWACJJQPWBJ-XOBRGWDASA-N 0 1 287.428 3.617 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)nc1 ZINC000483446612 1126787350 /nfs/dbraw/zinc/78/73/50/1126787350.db2.gz XRCSHPSJZDFLHA-CYBMUJFWSA-N 0 1 286.341 3.800 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)nc1 ZINC000483446612 1126787351 /nfs/dbraw/zinc/78/73/51/1126787351.db2.gz XRCSHPSJZDFLHA-CYBMUJFWSA-N 0 1 286.341 3.800 20 0 CHADMN CC[C@]1(C)CCN(Cc2nc3c(s2)CCCC3)C1 ZINC000678993742 1130480212 /nfs/dbraw/zinc/48/02/12/1130480212.db2.gz WXJHDKMUMLSTKM-OAHLLOKOSA-N 0 1 264.438 3.644 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncs1)c1cnn(-c2ccccc2)c1 ZINC000903311526 1126800864 /nfs/dbraw/zinc/80/08/64/1126800864.db2.gz PMLPHXUJKIWCDX-OLZOCXBDSA-N 0 1 298.415 3.741 20 0 CHADMN CC[C@@H]1C[C@@H](C[N@H+]2CCc3cc(Cl)ccc3C2)CCO1 ZINC000483663856 1126796610 /nfs/dbraw/zinc/79/66/10/1126796610.db2.gz SUNKKUNDFFOJSA-SUMWQHHRSA-N 0 1 293.838 3.903 20 0 CHADMN CC(C)CCCN[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000483657064 1126797127 /nfs/dbraw/zinc/79/71/27/1126797127.db2.gz HQHGHFSTDBDYHN-AWEZNQCLSA-N 0 1 287.407 3.747 20 0 CHADMN C[C@H](N(C)Cc1nccn1Cc1ccccc1)C1(C)CC1 ZINC000177230102 1126798524 /nfs/dbraw/zinc/79/85/24/1126798524.db2.gz ZFGHFRYUFJGACW-HNNXBMFYSA-N 0 1 283.419 3.552 20 0 CHADMN CC(C)c1noc(CN2CC[C@H](c3ccccc3)[C@H]2C)n1 ZINC000177550123 1126802439 /nfs/dbraw/zinc/80/24/39/1126802439.db2.gz YWASNORFNRDSJP-HIFRSBDPSA-N 0 1 285.391 3.571 20 0 CHADMN Cc1ccc2[nH]c(CN[C@H]3c4ccccc4C[C@@H]3C)nc2c1 ZINC000483851918 1126803820 /nfs/dbraw/zinc/80/38/20/1126803820.db2.gz LUCHPYLZLMMCES-ORAYPTAESA-N 0 1 291.398 3.894 20 0 CHADMN Cc1ccc2nc(CN[C@H]3c4ccccc4C[C@@H]3C)[nH]c2c1 ZINC000483851918 1126803822 /nfs/dbraw/zinc/80/38/22/1126803822.db2.gz LUCHPYLZLMMCES-ORAYPTAESA-N 0 1 291.398 3.894 20 0 CHADMN C[C@@H]1CCN(Cc2nc3ccccc3n2C(F)F)[C@@H]1C ZINC000177874866 1126806865 /nfs/dbraw/zinc/80/68/65/1126806865.db2.gz NBENCWBOSSYYLG-GHMZBOCLSA-N 0 1 279.334 3.662 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc(F)cc(F)c2)cc1O ZINC000178410101 1126812577 /nfs/dbraw/zinc/81/25/77/1126812577.db2.gz PLMHPLCKRUXEEA-JTQLQIEISA-N 0 1 293.313 3.530 20 0 CHADMN Cc1cc(CN[C@@H](C)c2nc3ccccc3n2C)ccc1F ZINC000178309916 1126811310 /nfs/dbraw/zinc/81/13/10/1126811310.db2.gz YOGGGOJONWTYQP-ZDUSSCGKSA-N 0 1 297.377 3.872 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc([S@](C)=O)cc2)o1 ZINC000178301952 1126811485 /nfs/dbraw/zinc/81/14/85/1126811485.db2.gz IIKUCQVNZGKKIO-RDXCRGQUSA-N 0 1 291.416 3.737 20 0 CHADMN Cc1cc(CN[C@H](C)c2nc3ccccc3n2C)ccc1F ZINC000178309934 1126811591 /nfs/dbraw/zinc/81/15/91/1126811591.db2.gz YOGGGOJONWTYQP-CYBMUJFWSA-N 0 1 297.377 3.872 20 0 CHADMN CCc1noc(CC)c1CN[C@H](C)c1sc(C)nc1C ZINC000178401114 1126812863 /nfs/dbraw/zinc/81/28/63/1126812863.db2.gz TWNNTICUVCZXLM-SECBINFHSA-N 0 1 293.436 3.724 20 0 CHADMN COc1cc(C)ccc1CN[C@H](C)c1ccsc1 ZINC000178447084 1126813396 /nfs/dbraw/zinc/81/33/96/1126813396.db2.gz WUWHYEQDZTYRNG-GFCCVEGCSA-N 0 1 261.390 3.916 20 0 CHADMN COc1cc(C)ccc1CN[C@H](C)c1sc(C)nc1C ZINC000178446854 1126813682 /nfs/dbraw/zinc/81/36/82/1126813682.db2.gz KUQRVGQRBGBCMW-LLVKDONJSA-N 0 1 290.432 3.928 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccoc1 ZINC000178474932 1126814634 /nfs/dbraw/zinc/81/46/34/1126814634.db2.gz TWGCDEBBJJQZKX-HNNXBMFYSA-N 0 1 257.333 3.592 20 0 CHADMN CC1(C)CN(CCC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000484347240 1126814792 /nfs/dbraw/zinc/81/47/92/1126814792.db2.gz SZQASGBNZLBQKW-MRVPVSSYSA-N 0 1 277.252 3.849 20 0 CHADMN C[C@@H](O)c1ccc(CN[C@@H](C)c2cccnc2Cl)cc1 ZINC000178547964 1126816359 /nfs/dbraw/zinc/81/63/59/1126816359.db2.gz IQJXFPATNDODNE-NWDGAFQWSA-N 0 1 290.794 3.639 20 0 CHADMN Cc1cccc([C@@H](NCc2ccc(CO)o2)C(C)(C)C)c1 ZINC000178614198 1126817197 /nfs/dbraw/zinc/81/71/97/1126817197.db2.gz GBYIEDOPUXXZDI-QGZVFWFLSA-N 0 1 287.403 3.957 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](OC(F)F)C1 ZINC000679684486 1130551828 /nfs/dbraw/zinc/55/18/28/1130551828.db2.gz TXAVRKDCWOYDHG-GXFFZTMASA-N 0 1 273.298 3.590 20 0 CHADMN c1cc(C2CC2)ccc1CCCc1nc([C@H]2CCCN2)no1 ZINC000904075725 1126826803 /nfs/dbraw/zinc/82/68/03/1126826803.db2.gz PBWFNTDDDVKIDR-MRXNPFEDSA-N 0 1 297.402 3.547 20 0 CHADMN Cc1cccc(C)c1OC[C@H](C)N[C@H](C)c1nccs1 ZINC000179406729 1126826864 /nfs/dbraw/zinc/82/68/64/1126826864.db2.gz OEDZPDWTIMQDAZ-UONOGXRCSA-N 0 1 290.432 3.878 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(-c2cnc3ccccc3c2)no1 ZINC000904084799 1126827412 /nfs/dbraw/zinc/82/74/12/1126827412.db2.gz JWCPLYBSLDXQAF-HNNXBMFYSA-N 0 1 296.374 3.591 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000904088886 1126827580 /nfs/dbraw/zinc/82/75/80/1126827580.db2.gz QITKTVIERHKEJL-AWEZNQCLSA-N 0 1 284.363 3.525 20 0 CHADMN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NCc1ccon1 ZINC000179430554 1126828311 /nfs/dbraw/zinc/82/83/11/1126828311.db2.gz VGEVVSGWOPSBCL-QWRGUYRKSA-N 0 1 298.308 3.975 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2ccccn2)cc1Cl ZINC000179635353 1126832118 /nfs/dbraw/zinc/83/21/18/1126832118.db2.gz UGKLLXDHXFORAI-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN CN[C@@H](CC(C)C)c1nc([C@@H](C)Oc2ccccc2)no1 ZINC000904092922 1126830182 /nfs/dbraw/zinc/83/01/82/1126830182.db2.gz DBGFYHVHFMIQFE-OCCSQVGLSA-N 0 1 289.379 3.516 20 0 CHADMN COc1cc(F)cc(CN[C@@H](C)c2ccc(Cl)nc2)c1 ZINC000179596360 1126831069 /nfs/dbraw/zinc/83/10/69/1126831069.db2.gz PEWDXQNCZMNUCT-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN CC(C)n1ccc(CN[C@@H](c2ccccc2)C2CC2)n1 ZINC000180125570 1126839462 /nfs/dbraw/zinc/83/94/62/1126839462.db2.gz WLSNJOXTBMAWRH-KRWDZBQOSA-N 0 1 269.392 3.705 20 0 CHADMN CC(C)n1cc(CN2C[C@@H](C)[C@H]2c2ccccc2)cn1 ZINC000180222347 1126841258 /nfs/dbraw/zinc/84/12/58/1126841258.db2.gz IXASOAYTRGPUNH-PBHICJAKSA-N 0 1 269.392 3.657 20 0 CHADMN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1ccccc1F ZINC000180521519 1126845633 /nfs/dbraw/zinc/84/56/33/1126845633.db2.gz KCWCATWRTZJFMW-OAHLLOKOSA-N 0 1 273.355 3.503 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](CCc2ccccc2C(=O)[O-])CC1 ZINC000568639486 1126847163 /nfs/dbraw/zinc/84/71/63/1126847163.db2.gz PKNITSZHEWYOCO-HNNXBMFYSA-N 0 1 289.419 3.685 20 0 CHADMN Cc1cccc(C2=CCN(Cc3cncs3)CC2)c1 ZINC000180780908 1126848194 /nfs/dbraw/zinc/84/81/94/1126848194.db2.gz XLHOEQCSQZRFNT-UHFFFAOYSA-N 0 1 270.401 3.741 20 0 CHADMN C[C@H](O)CN[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000181046693 1126851449 /nfs/dbraw/zinc/85/14/49/1126851449.db2.gz JLKUTJBSNFHDKF-MEDUHNTESA-N 0 1 293.769 3.539 20 0 CHADMN COCCN(CCF)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000759330558 1130652292 /nfs/dbraw/zinc/65/22/92/1130652292.db2.gz NNQMNSIDRMMXRM-AWEZNQCLSA-N 0 1 267.388 3.789 20 0 CHADMN C[C@H](N[C@H]1CCCOc2c(F)cccc21)c1ccncc1 ZINC000181322912 1126854774 /nfs/dbraw/zinc/85/47/74/1126854774.db2.gz NWZMKEDVVPFIEY-LRDDRELGSA-N 0 1 286.350 3.785 20 0 CHADMN C[N@@H+](CCCCC(=O)[O-])CCc1cccc2ccccc21 ZINC000181551070 1126857279 /nfs/dbraw/zinc/85/72/79/1126857279.db2.gz BAHSGOIGOIFBKK-UHFFFAOYSA-N 0 1 285.387 3.569 20 0 CHADMN CCc1noc([C@H](C)N[C@H](C)C(C)(C)c2ccccc2)n1 ZINC000181796534 1126861247 /nfs/dbraw/zinc/86/12/47/1126861247.db2.gz LERZQAIQXDLICX-QWHCGFSZSA-N 0 1 287.407 3.649 20 0 CHADMN Clc1ccc(CN[C@@H](c2ccccc2)C2CC2)nc1 ZINC000182111521 1126866505 /nfs/dbraw/zinc/86/65/05/1126866505.db2.gz WKKYRRRUUGPWSD-INIZCTEOSA-N 0 1 272.779 3.976 20 0 CHADMN C[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(Cl)cn1 ZINC000182128756 1126866635 /nfs/dbraw/zinc/86/66/35/1126866635.db2.gz GVWQWSXRSSVKPI-MEDUHNTESA-N 0 1 272.779 3.758 20 0 CHADMN CCS[C@H](C)c1noc([C@@H]2NCC[C@H]3CCCC[C@H]32)n1 ZINC000904628879 1126863310 /nfs/dbraw/zinc/86/33/10/1126863310.db2.gz XBZNEZXTAMFHNP-FDYHWXHSSA-N 0 1 295.452 3.725 20 0 CHADMN CCc1nnc(SCCCOc2cc(C)ccc2C)[nH]1 ZINC000485044583 1126880299 /nfs/dbraw/zinc/88/02/99/1126880299.db2.gz IRLLBEBPXNXDJL-UHFFFAOYSA-N 0 1 291.420 3.545 20 0 CHADMN CCc1n[nH]c(SCCCOc2cc(C)ccc2C)n1 ZINC000485044583 1126880302 /nfs/dbraw/zinc/88/03/02/1126880302.db2.gz IRLLBEBPXNXDJL-UHFFFAOYSA-N 0 1 291.420 3.545 20 0 CHADMN C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 ZINC000183066674 1126881917 /nfs/dbraw/zinc/88/19/17/1126881917.db2.gz MVLJNQDKSIOSGX-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN CN(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 ZINC000183066674 1126881921 /nfs/dbraw/zinc/88/19/21/1126881921.db2.gz MVLJNQDKSIOSGX-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN CC(C)Cn1cc(C[N@@H+](C)[C@@H](C)c2cccs2)cn1 ZINC000183074531 1126882267 /nfs/dbraw/zinc/88/22/67/1126882267.db2.gz CEVHQYPHPVUTIX-ZDUSSCGKSA-N 0 1 277.437 3.794 20 0 CHADMN CC(C)Cn1cc(CN(C)[C@@H](C)c2cccs2)cn1 ZINC000183074531 1126882270 /nfs/dbraw/zinc/88/22/70/1126882270.db2.gz CEVHQYPHPVUTIX-ZDUSSCGKSA-N 0 1 277.437 3.794 20 0 CHADMN Cn1ccnc1[C@@H](NCc1ccc(C(C)(C)C)cc1)C1CC1 ZINC000183261248 1126883728 /nfs/dbraw/zinc/88/37/28/1126883728.db2.gz XJUPYCJRBQQDGR-KRWDZBQOSA-N 0 1 297.446 3.959 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2ccc(C)cc21)c1nccn1C ZINC000183413168 1126886622 /nfs/dbraw/zinc/88/66/22/1126886622.db2.gz LJQZGJJSKZJUBD-SJORKVTESA-N 0 1 283.419 3.847 20 0 CHADMN CC[C@H]1CCN(Cc2sc(C)nc2C(F)(F)F)C1 ZINC000183604829 1126889409 /nfs/dbraw/zinc/88/94/09/1126889409.db2.gz VJGZEVSMBDJBMI-VIFPVBQESA-N 0 1 278.343 3.702 20 0 CHADMN CCC[C@H]1C[C@H](C(=O)Nc2cccc(Cl)c2O)CCO1 ZINC000183772034 1126891655 /nfs/dbraw/zinc/89/16/55/1126891655.db2.gz XAHUTJJYWQXWHM-MNOVXSKESA-N 0 1 297.782 3.579 20 0 CHADMN CC(C)CC[N@@H+](C)Cc1cncc(C(F)(F)F)c1 ZINC000812823673 1130715698 /nfs/dbraw/zinc/71/56/98/1130715698.db2.gz IECYZZMLMOUPTR-UHFFFAOYSA-N 0 1 260.303 3.578 20 0 CHADMN CCc1ccc(CC[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000905370522 1126899264 /nfs/dbraw/zinc/89/92/64/1126899264.db2.gz UGWLFTLBSNDQSY-GOSISDBHSA-N 0 1 297.398 3.549 20 0 CHADMN Cc1cc(Cl)c(CN(C)C2CCOCC2)c(Cl)c1 ZINC001235178254 1130719943 /nfs/dbraw/zinc/71/99/43/1130719943.db2.gz YEUNPRHNGBNINY-UHFFFAOYSA-N 0 1 288.218 3.913 20 0 CHADMN CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000185723962 1126902439 /nfs/dbraw/zinc/90/24/39/1126902439.db2.gz PLRVCGLWDLOVLB-VHSXEESVSA-N 0 1 293.317 3.731 20 0 CHADMN COc1cccc([C@H]2CCCN2Cc2ccnc(F)c2)c1 ZINC001118816761 1131238262 /nfs/dbraw/zinc/23/82/62/1131238262.db2.gz WAOAVRHXAJTPAG-MRXNPFEDSA-N 0 1 286.350 3.566 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(C(C)(C)O)cc2)o1 ZINC000187501704 1126911248 /nfs/dbraw/zinc/91/12/48/1126911248.db2.gz YHFCIOAEXWHRQX-CXAGYDPISA-N 0 1 299.414 3.920 20 0 CHADMN Cc1n[nH]c(C)c1CN1CCc2ccc(C(C)C)cc2C1 ZINC000668480511 1126912443 /nfs/dbraw/zinc/91/24/43/1126912443.db2.gz MMJKBXBHEDEVDC-UHFFFAOYSA-N 0 1 283.419 3.708 20 0 CHADMN C[C@@H](NCc1csnn1)C1(c2ccccc2)CCCC1 ZINC000187643156 1126912621 /nfs/dbraw/zinc/91/26/21/1126912621.db2.gz MUGFYXFCZVEBGY-CYBMUJFWSA-N 0 1 287.432 3.528 20 0 CHADMN CCCN(CCC)Cc1cc(F)c(F)c(F)c1F ZINC001235341462 1130733767 /nfs/dbraw/zinc/73/37/67/1130733767.db2.gz NUKUNQRTDANVOC-UHFFFAOYSA-N 0 1 263.278 3.865 20 0 CHADMN Cc1nccnc1[C@@H](C)NCCOc1ccc(C(C)C)cc1 ZINC000187866317 1126915592 /nfs/dbraw/zinc/91/55/92/1126915592.db2.gz FQVCYQPHEVJFEX-OAHLLOKOSA-N 0 1 299.418 3.638 20 0 CHADMN CCN(Cc1nc(C)cs1)[C@@H](C)Cc1ccsc1 ZINC000187807234 1126915677 /nfs/dbraw/zinc/91/56/77/1126915677.db2.gz JSQMXQIXJOTCKM-LBPRGKRZSA-N 0 1 280.462 3.966 20 0 CHADMN Fc1ccc([C@@H](NC[C@H]2CC=CCC2)c2ncc[nH]2)cc1 ZINC000187854009 1126915708 /nfs/dbraw/zinc/91/57/08/1126915708.db2.gz DTRJFJKUISWNMH-XJKSGUPXSA-N 0 1 285.366 3.584 20 0 CHADMN Cc1cccc([C@@H](C)N[C@@H](C)c2nccnc2C)c1C ZINC000188019475 1126918358 /nfs/dbraw/zinc/91/83/58/1126918358.db2.gz QHHXBMGPTXUDGO-HIFRSBDPSA-N 0 1 269.392 3.814 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H]1c2ccccc2CC[C@@H]1C ZINC000188285652 1126921834 /nfs/dbraw/zinc/92/18/34/1126921834.db2.gz IOCLDFXJKDVAOY-RVSPLBMKSA-N 0 1 281.403 3.759 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000188116905 1126920309 /nfs/dbraw/zinc/92/03/09/1126920309.db2.gz XPSMOQUIESMJHR-PLQHRBFRSA-N 0 1 299.393 3.898 20 0 CHADMN Cc1ccnc(CN2CCC[C@](C)(F)CC2)c1Cl ZINC001235576018 1130756363 /nfs/dbraw/zinc/75/63/63/1130756363.db2.gz JWNLXPTYCNXOLF-AWEZNQCLSA-N 0 1 270.779 3.758 20 0 CHADMN C[C@@H](O)c1ccc(CNCc2ccc(Cl)cc2F)cc1 ZINC000189278513 1126929912 /nfs/dbraw/zinc/92/99/12/1126929912.db2.gz YFRDWMMGAJSWPO-LLVKDONJSA-N 0 1 293.769 3.822 20 0 CHADMN Cc1ccc(-c2cnc([C@H]3CCCCN3)nc2)cc1Cl ZINC000906185839 1126935670 /nfs/dbraw/zinc/93/56/70/1126935670.db2.gz QRHJPWPOXJKLAK-OAHLLOKOSA-N 0 1 287.794 3.920 20 0 CHADMN Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000189733663 1126933852 /nfs/dbraw/zinc/93/38/52/1126933852.db2.gz YOAPPTPARJDJMY-UHFFFAOYSA-N 0 1 295.789 3.506 20 0 CHADMN Cc1cncc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)c1 ZINC000189750755 1126934108 /nfs/dbraw/zinc/93/41/08/1126934108.db2.gz ROFCQHPYTXAVTE-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN Cc1cncc(CN(C)[C@@H](C)c2ccc(F)cc2)c1 ZINC000189750755 1126934109 /nfs/dbraw/zinc/93/41/09/1126934109.db2.gz ROFCQHPYTXAVTE-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN C[C@H]1CSCCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000190444643 1126942232 /nfs/dbraw/zinc/94/22/32/1126942232.db2.gz USOYBIPMTLPJDC-CYBMUJFWSA-N 0 1 288.416 3.527 20 0 CHADMN Cc1c([C@@H](C)NCc2ccccc2F)cnn1C(C)(C)C ZINC000191114870 1126947712 /nfs/dbraw/zinc/94/77/12/1126947712.db2.gz UKVULTHEUYQYJW-GFCCVEGCSA-N 0 1 289.398 3.936 20 0 CHADMN Cc1c([C@@H](C)NCc2ccc(F)cc2)cnn1C(C)(C)C ZINC000191103109 1126948143 /nfs/dbraw/zinc/94/81/43/1126948143.db2.gz SCWZLPDRYLPQNR-GFCCVEGCSA-N 0 1 289.398 3.936 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](C)NCC1(C)OCCCO1 ZINC000190669169 1126944158 /nfs/dbraw/zinc/94/41/58/1126944158.db2.gz LBOWOZMMEMCYPE-CYBMUJFWSA-N 0 1 289.375 3.545 20 0 CHADMN Fc1cccc(CCCN2CCO[C@H](c3ccccc3)C2)c1 ZINC000485797029 1126953856 /nfs/dbraw/zinc/95/38/56/1126953856.db2.gz XGSLETLVRVUHJG-IBGZPJMESA-N 0 1 299.389 3.832 20 0 CHADMN Fc1ccc(F)c(CN2CCC(c3ccncc3)CC2)c1 ZINC000191604126 1126953911 /nfs/dbraw/zinc/95/39/11/1126953911.db2.gz SASSLAHDKPSCPP-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN CCC(C)(C)CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000191825320 1126955359 /nfs/dbraw/zinc/95/53/59/1126955359.db2.gz XBWCMYMFGQKBNJ-AWEZNQCLSA-N 0 1 257.381 3.525 20 0 CHADMN CC(C)c1ccc([C@H](C)N2CCO[C@@H](C3CC3)C2)cc1 ZINC000485830853 1126955486 /nfs/dbraw/zinc/95/54/86/1126955486.db2.gz NXHZCVYRRJDHFQ-KBXCAEBGSA-N 0 1 273.420 3.982 20 0 CHADMN c1nc(CN2CCC[C@H]2CCCc2ccccc2)co1 ZINC000191947189 1126956500 /nfs/dbraw/zinc/95/65/00/1126956500.db2.gz DJQBFYRMDRTNCW-QGZVFWFLSA-N 0 1 270.376 3.662 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)N1CCS[C@H](C)CC1 ZINC000192194733 1126959356 /nfs/dbraw/zinc/95/93/56/1126959356.db2.gz MWLSKGMLCODFSW-NEPJUHHUSA-N 0 1 276.405 3.716 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1Cl)NCc1cocn1 ZINC000192303301 1126959828 /nfs/dbraw/zinc/95/98/28/1126959828.db2.gz GYXHYPWGKCEMGL-SECBINFHSA-N 0 1 285.174 3.702 20 0 CHADMN CC(C)c1nnc(-c2ccccc2NC(=O)C[C@H]2C[C@@H]2C)[nH]1 ZINC000485886817 1126960891 /nfs/dbraw/zinc/96/08/91/1126960891.db2.gz DNLNQZKMJJWGKM-NWDGAFQWSA-N 0 1 298.390 3.580 20 0 CHADMN C[C@@H](CCNCc1cocn1)c1cccc(C(F)(F)F)c1 ZINC000192321572 1126960852 /nfs/dbraw/zinc/96/08/52/1126960852.db2.gz LZOCMUWSGBZROC-NSHDSACASA-N 0 1 298.308 3.977 20 0 CHADMN CC(C)Sc1cccc(Cl)c1CN1CC[C@H](CO)C1 ZINC000192621907 1126963017 /nfs/dbraw/zinc/96/30/17/1126963017.db2.gz MDMIASKZEYNQBC-LBPRGKRZSA-N 0 1 299.867 3.655 20 0 CHADMN Cc1cc(=O)[nH]c([C@@H](C)N[C@@H](c2ccccc2)C2CCC2)n1 ZINC000192665606 1126963305 /nfs/dbraw/zinc/96/33/05/1126963305.db2.gz SHGOLDCFZVDTAE-DYVFJYSZSA-N 0 1 297.402 3.683 20 0 CHADMN Clc1ccc(CN[C@@H]2CCCNc3ccccc32)nc1 ZINC000193069695 1126965658 /nfs/dbraw/zinc/96/56/58/1126965658.db2.gz FKUXODWVTORNQH-MRXNPFEDSA-N 0 1 287.794 3.772 20 0 CHADMN Clc1ccc(CN[C@H]2CCCNc3ccccc32)nc1 ZINC000193069713 1126965908 /nfs/dbraw/zinc/96/59/08/1126965908.db2.gz FKUXODWVTORNQH-INIZCTEOSA-N 0 1 287.794 3.772 20 0 CHADMN CCCNc1ccc(CNCc2cccnc2Cl)cc1 ZINC000193150907 1126966992 /nfs/dbraw/zinc/96/69/92/1126966992.db2.gz MWIYWOXMRWPMCV-UHFFFAOYSA-N 0 1 289.810 3.847 20 0 CHADMN COc1cc(CN(C)Cc2cc(Cl)cs2)ccc1O ZINC000194322437 1126974196 /nfs/dbraw/zinc/97/41/96/1126974196.db2.gz FRVPBCTYYRNMII-UHFFFAOYSA-N 0 1 297.807 3.748 20 0 CHADMN CC[C@@H]1CN(Cc2cnc(-c3ccco3)s2)CCS1 ZINC000194404524 1126974264 /nfs/dbraw/zinc/97/42/64/1126974264.db2.gz PBHIABCHLPCRNX-LLVKDONJSA-N 0 1 294.445 3.731 20 0 CHADMN COc1cc(CN(C)[C@@H](C)c2cccnc2)ccc1C ZINC000194628158 1126975977 /nfs/dbraw/zinc/97/59/77/1126975977.db2.gz NAZPLWLGEHCRPX-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN Cc1cc(C)c(CC(=O)Nc2cc3cn[nH]c3cc2C)s1 ZINC000907695046 1126983090 /nfs/dbraw/zinc/98/30/90/1126983090.db2.gz VKSNTTGBBNUACH-UHFFFAOYSA-N 0 1 299.399 3.731 20 0 CHADMN C[C@@H]1[C@H](Cc2ccccc2)CCN1Cc1cscn1 ZINC000266936266 1126990717 /nfs/dbraw/zinc/99/07/17/1126990717.db2.gz OJMVYGIAAJIQFT-HIFRSBDPSA-N 0 1 272.417 3.596 20 0 CHADMN CCC1(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)CC1 ZINC000267183998 1126994785 /nfs/dbraw/zinc/99/47/85/1126994785.db2.gz IOMBCBKDHNVDDM-AWEZNQCLSA-N 0 1 299.374 3.543 20 0 CHADMN C[C@H](NCc1cncn1C)c1ccc(SC(F)F)cc1 ZINC000267232913 1126995865 /nfs/dbraw/zinc/99/58/65/1126995865.db2.gz FWYCFEYMZMFMDV-JTQLQIEISA-N 0 1 297.374 3.586 20 0 CHADMN FC(F)(F)c1cscc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000668679002 1127001459 /nfs/dbraw/zinc/00/14/59/1127001459.db2.gz XFGZQTGVJVIFOB-RKDXNWHRSA-N 0 1 261.312 3.609 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@](C)(CCc3ccccc3)C2)o1 ZINC000267660592 1127004374 /nfs/dbraw/zinc/00/43/74/1127004374.db2.gz ZHOCAYIIMOHHJK-KSSFIOAISA-N 0 1 299.418 3.784 20 0 CHADMN CCN(Cc1ccncc1)Cc1ccc(Cl)cc1 ZINC000267898624 1127008046 /nfs/dbraw/zinc/00/80/46/1127008046.db2.gz VEFLFOYQKQTCJE-UHFFFAOYSA-N 0 1 260.768 3.757 20 0 CHADMN C[C@@H](NC/C=C\c1ccncc1)c1c(F)cccc1F ZINC000486943897 1127011186 /nfs/dbraw/zinc/01/11/86/1127011186.db2.gz YGGUHTBQOOEMSA-VSQXVHSFSA-N 0 1 274.314 3.724 20 0 CHADMN CC[C@H]1CCC[C@H](NC(=O)c2sccc2CN(C)C)C1 ZINC000268098339 1127011801 /nfs/dbraw/zinc/01/18/01/1127011801.db2.gz KHJNBIZDCDIXMM-JSGCOSHPSA-N 0 1 294.464 3.508 20 0 CHADMN C[C@@H](NC/C=C\c1ccncc1)c1ccc(F)cc1F ZINC000486980872 1127013658 /nfs/dbraw/zinc/01/36/58/1127013658.db2.gz LNNRTCMYPMRJFD-ZZKXABKFSA-N 0 1 274.314 3.724 20 0 CHADMN C[C@@H](NC/C=C/c1ccncc1)c1ccc(F)cc1F ZINC000486980871 1127013890 /nfs/dbraw/zinc/01/38/90/1127013890.db2.gz LNNRTCMYPMRJFD-QAVQXKDTSA-N 0 1 274.314 3.724 20 0 CHADMN Cc1cc(CN(Cc2ccc(F)cc2)C(C)(C)C)on1 ZINC000268557501 1127019209 /nfs/dbraw/zinc/01/92/09/1127019209.db2.gz NVIYKLAPMHUJSS-UHFFFAOYSA-N 0 1 276.355 3.923 20 0 CHADMN c1[nH]nc2c1CCC[C@@H]2[NH2+]Cc1cc2ccccc2s1 ZINC000268800057 1127024282 /nfs/dbraw/zinc/02/42/82/1127024282.db2.gz ARRQPAVYSGGVBR-AWEZNQCLSA-N 0 1 283.400 3.792 20 0 CHADMN c1[nH]nc2c1CCC[C@@H]2NCc1cc2ccccc2s1 ZINC000268800057 1127024283 /nfs/dbraw/zinc/02/42/83/1127024283.db2.gz ARRQPAVYSGGVBR-AWEZNQCLSA-N 0 1 283.400 3.792 20 0 CHADMN c1[nH]nnc1CSc1ccc(-c2ccccc2)cc1 ZINC000487148522 1127021038 /nfs/dbraw/zinc/02/10/38/1127021038.db2.gz UTMVHIHBJNQXOH-UHFFFAOYSA-N 0 1 267.357 3.764 20 0 CHADMN CCOc1ccccc1CN[C@@H]1CCc2c1cccc2OC ZINC000268815916 1127025745 /nfs/dbraw/zinc/02/57/45/1127025745.db2.gz GBESZJPISDORTN-QGZVFWFLSA-N 0 1 297.398 3.871 20 0 CHADMN C[C@H](NCc1cnn(C)c1)c1cc(Cl)cc(Cl)c1 ZINC000268838960 1127025969 /nfs/dbraw/zinc/02/59/69/1127025969.db2.gz MRSXYLMBXISLBR-VIFPVBQESA-N 0 1 284.190 3.578 20 0 CHADMN Cc1[nH]c2c(cc(C)cc2CN[C@@H](C)c2cnccn2)c1C ZINC000268834093 1127026011 /nfs/dbraw/zinc/02/60/11/1127026011.db2.gz DABILQXLBLACPP-AWEZNQCLSA-N 0 1 294.402 3.734 20 0 CHADMN C[C@H](N[C@@H](C)[C@H]1CC1(C)C)c1noc(-c2ccccc2)n1 ZINC000487316127 1127033336 /nfs/dbraw/zinc/03/33/36/1127033336.db2.gz BVRVDRJCZBBRQY-SGMGOOAPSA-N 0 1 285.391 3.822 20 0 CHADMN C[C@@H]1C[C@@H]1C(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1 ZINC000909708131 1127034458 /nfs/dbraw/zinc/03/44/58/1127034458.db2.gz GCAUHOFIMOJQET-RNCFNFMXSA-N 0 1 299.349 3.688 20 0 CHADMN CC(C)=CC(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1 ZINC000909709809 1127035012 /nfs/dbraw/zinc/03/50/12/1127035012.db2.gz YGSWPEIXIMBIPA-UHFFFAOYSA-N 0 1 299.349 3.998 20 0 CHADMN COc1cc(C)ccc1CN[C@H](C)c1ccc2c(c1)COC2 ZINC000269003930 1127032768 /nfs/dbraw/zinc/03/27/68/1127032768.db2.gz KHXSGGKRYFQTJY-CQSZACIVSA-N 0 1 297.398 3.885 20 0 CHADMN CCN(Cc1cnccc1C)[C@H](C)c1cccc(O)c1 ZINC000269591334 1127042846 /nfs/dbraw/zinc/04/28/46/1127042846.db2.gz IJCKCMTXUNBSBO-CQSZACIVSA-N 0 1 270.376 3.679 20 0 CHADMN Cc1ccncc1CN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000269604089 1127042892 /nfs/dbraw/zinc/04/28/92/1127042892.db2.gz WRJMIIPPCLIRRB-LJQANCHMSA-N 0 1 296.414 3.571 20 0 CHADMN CO[C@@H]1CCCN(CCc2cc(Cl)ccc2Cl)C1 ZINC000487883893 1127044743 /nfs/dbraw/zinc/04/47/43/1127044743.db2.gz WFMGMRAGZRVROU-CYBMUJFWSA-N 0 1 288.218 3.647 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cnccc2C)cc1 ZINC000269536875 1127041357 /nfs/dbraw/zinc/04/13/57/1127041357.db2.gz ZAYQLISSVHPPNL-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN Cc1ccncc1CN(Cc1ccco1)C1CCCC1 ZINC000269572168 1127041945 /nfs/dbraw/zinc/04/19/45/1127041945.db2.gz NAXNIOOWAMPSFN-UHFFFAOYSA-N 0 1 270.376 3.928 20 0 CHADMN CCCC[C@H](CC)Cn1cc([C@H](N)c2ccccc2)nn1 ZINC000640752731 1127045621 /nfs/dbraw/zinc/04/56/21/1127045621.db2.gz FCZQIHDPUFZFAV-WMLDXEAASA-N 0 1 286.423 3.543 20 0 CHADMN COCCN(Cc1csc(C2CC2)n1)[C@@H]1CCC[C@@H]1C ZINC000488013311 1127052219 /nfs/dbraw/zinc/05/22/19/1127052219.db2.gz WAKJGNQIHCMVMW-SWLSCSKDSA-N 0 1 294.464 3.658 20 0 CHADMN CC(C)[C@@H](C)N(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000270302004 1127052390 /nfs/dbraw/zinc/05/23/90/1127052390.db2.gz WYDXRQPUUOGWNO-GFCCVEGCSA-N 0 1 277.412 3.574 20 0 CHADMN COCCN(Cc1csc(C(C)C)n1)[C@H]1CCC[C@@H]1C ZINC000488060656 1127053801 /nfs/dbraw/zinc/05/38/01/1127053801.db2.gz JFKXZJFREVQGCW-ZFWWWQNUSA-N 0 1 296.480 3.904 20 0 CHADMN Cc1cc(Cl)cc(CN2CC[C@@H](C)C(F)(F)CC2)n1 ZINC001236637733 1130987587 /nfs/dbraw/zinc/98/75/87/1130987587.db2.gz APZPKYCYWQIHKF-SNVBAGLBSA-N 0 1 288.769 3.911 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000270668247 1127060136 /nfs/dbraw/zinc/06/01/36/1127060136.db2.gz WWAIZEPGEJSIHQ-BBRMVZONSA-N 0 1 282.387 3.930 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1ncc(C2CC2)o1 ZINC000270668247 1127060140 /nfs/dbraw/zinc/06/01/40/1127060140.db2.gz WWAIZEPGEJSIHQ-BBRMVZONSA-N 0 1 282.387 3.930 20 0 CHADMN C[C@@H](COc1ccc(F)cc1F)N[C@@H](C)c1cscn1 ZINC000271106584 1127068493 /nfs/dbraw/zinc/06/84/93/1127068493.db2.gz GHFHWSSQKIFAHH-UWVGGRQHSA-N 0 1 298.358 3.539 20 0 CHADMN C[C@H]1COC(C)(C)CN1Cc1ccc(C(F)(F)F)cc1 ZINC000488238296 1127065231 /nfs/dbraw/zinc/06/52/31/1127065231.db2.gz ZDWALFIBRREZRV-NSHDSACASA-N 0 1 287.325 3.705 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)Cc1cnc(N(C)C)s1 ZINC000271031267 1127065997 /nfs/dbraw/zinc/06/59/97/1127065997.db2.gz HIWWCHXKDIUIQQ-LLVKDONJSA-N 0 1 293.411 3.541 20 0 CHADMN CN(C)c1ncc(CN2CCC[C@H]2c2ccsc2)s1 ZINC000271065518 1127067386 /nfs/dbraw/zinc/06/73/86/1127067386.db2.gz ITZQIWNNHBRKOX-ZDUSSCGKSA-N 0 1 293.461 3.608 20 0 CHADMN CCOc1ccc(CN(Cc2cncs2)C(C)C)cc1 ZINC000271067455 1127067656 /nfs/dbraw/zinc/06/76/56/1127067656.db2.gz KNJIIGDCZMPFCI-UHFFFAOYSA-N 0 1 290.432 3.952 20 0 CHADMN C[C@H](COc1ccc(F)cc1F)N[C@@H](C)c1cscn1 ZINC000271106598 1127067989 /nfs/dbraw/zinc/06/79/89/1127067989.db2.gz GHFHWSSQKIFAHH-ZJUUUORDSA-N 0 1 298.358 3.539 20 0 CHADMN c1ccc(-c2cccc(C[N@H+]3CCO[C@@H]4CCC[C@H]43)c2)nc1 ZINC000271129225 1127070009 /nfs/dbraw/zinc/07/00/09/1127070009.db2.gz OPPXUTKNSFDBKE-RTBURBONSA-N 0 1 294.398 3.502 20 0 CHADMN c1ccc(-c2cccc(CN3CCO[C@@H]4CCC[C@H]43)c2)nc1 ZINC000271129225 1127070011 /nfs/dbraw/zinc/07/00/11/1127070011.db2.gz OPPXUTKNSFDBKE-RTBURBONSA-N 0 1 294.398 3.502 20 0 CHADMN Fc1ccc(C2CCN(Cc3cncs3)CC2)cc1F ZINC000271153726 1127070590 /nfs/dbraw/zinc/07/05/90/1127070590.db2.gz GDVLOXNEPJSKBY-UHFFFAOYSA-N 0 1 294.370 3.801 20 0 CHADMN CCc1nc([C@H](C)N(CC)Cc2ccc(Cl)cc2)n[nH]1 ZINC000659857909 1127072237 /nfs/dbraw/zinc/07/22/37/1127072237.db2.gz AKWUOGJPOIBLGO-NSHDSACASA-N 0 1 292.814 3.604 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)CCCc1cccs1 ZINC000271229602 1127073230 /nfs/dbraw/zinc/07/32/30/1127073230.db2.gz ASAXSNILYGCZIK-UHFFFAOYSA-N 0 1 299.346 3.679 20 0 CHADMN CCc1ncc(CN(C)Cc2ccccc2C)s1 ZINC000067402801 1127074634 /nfs/dbraw/zinc/07/46/34/1127074634.db2.gz HFTWEHNJTJJFOZ-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1sc(C)nc1C ZINC000271406984 1127078483 /nfs/dbraw/zinc/07/84/83/1127078483.db2.gz OSGORBKBDGOWSR-AWEZNQCLSA-N 0 1 275.421 3.738 20 0 CHADMN C[C@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000271418498 1127079966 /nfs/dbraw/zinc/07/99/66/1127079966.db2.gz BFGJEKCYGCTWIX-MEDUHNTESA-N 0 1 293.769 3.863 20 0 CHADMN CCc1ccc([C@H](C)N[C@H]2CCCc3c[nH]nc32)s1 ZINC000271442451 1127081819 /nfs/dbraw/zinc/08/18/19/1127081819.db2.gz CMBYYPWFCNJLTL-GWCFXTLKSA-N 0 1 275.421 3.762 20 0 CHADMN CC1(C)C[C@H](N[C@@H]2CCCc3c[nH]nc32)c2ccccc21 ZINC000271449392 1127082975 /nfs/dbraw/zinc/08/29/75/1127082975.db2.gz DKHSNTRNKKGCQO-CVEARBPZSA-N 0 1 281.403 3.799 20 0 CHADMN Clc1ccnc2c1CC[C@@H]2NCCOC1CCCCC1 ZINC000924840670 1127083537 /nfs/dbraw/zinc/08/35/37/1127083537.db2.gz BIFPIYPXZSLOAY-HNNXBMFYSA-N 0 1 294.826 3.661 20 0 CHADMN CCc1nc([C@H](C)N[C@@H]2C[C@@H](C)c3c2cccc3C)n[nH]1 ZINC000271459326 1127083533 /nfs/dbraw/zinc/08/35/33/1127083533.db2.gz HDMUGUOAEVFWBI-MBNYWOFBSA-N 0 1 284.407 3.575 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H](C)c2cc(F)ccc2F)n[nH]1 ZINC000271466299 1127083645 /nfs/dbraw/zinc/08/36/45/1127083645.db2.gz HYUKDBMARISHPQ-UWVGGRQHSA-N 0 1 294.349 3.618 20 0 CHADMN CCc1nc([C@H](C)N[C@H]2C[C@H](C)c3c2cccc3C)n[nH]1 ZINC000271459330 1127083770 /nfs/dbraw/zinc/08/37/70/1127083770.db2.gz HDMUGUOAEVFWBI-OBJOEFQTSA-N 0 1 284.407 3.575 20 0 CHADMN Cc1ncc([C@H](C)NCc2coc3ccccc23)c(C)n1 ZINC000271462429 1127084062 /nfs/dbraw/zinc/08/40/62/1127084062.db2.gz KIGFEEZVFKZWQG-NSHDSACASA-N 0 1 281.359 3.690 20 0 CHADMN C[C@@H](NCc1cccc(OCC(F)F)c1)c1cncs1 ZINC000271504471 1127087769 /nfs/dbraw/zinc/08/77/69/1127087769.db2.gz RFOKXRKRKOMSMM-SNVBAGLBSA-N 0 1 298.358 3.638 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000271486268 1127085613 /nfs/dbraw/zinc/08/56/13/1127085613.db2.gz KGVFGKFSKRTDGW-OLZOCXBDSA-N 0 1 272.396 3.648 20 0 CHADMN CO[C@H](c1ccc(F)cc1)[C@@H](C)N[C@H](C)c1nccs1 ZINC000271484779 1127085633 /nfs/dbraw/zinc/08/56/33/1127085633.db2.gz KBNWGSDQMLXAAC-GYSYKLTISA-N 0 1 294.395 3.709 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1n[nH]c(C(C)C)n1)CCC2 ZINC000271489535 1127086055 /nfs/dbraw/zinc/08/60/55/1127086055.db2.gz KQGDPWAEDIZULB-CZUORRHYSA-N 0 1 298.434 3.965 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(OC)c(F)cc2F)C1 ZINC001236833544 1131018453 /nfs/dbraw/zinc/01/84/53/1131018453.db2.gz GFGPIQMWNQWBBW-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN CCCc1ccc([C@@H](C)N[C@@H](C)c2n[nH]c(CC)n2)cc1 ZINC000271534201 1127089924 /nfs/dbraw/zinc/08/99/24/1127089924.db2.gz QAWMXVOXUATEJV-OLZOCXBDSA-N 0 1 286.423 3.731 20 0 CHADMN COc1ccc(Cl)cc1CN[C@H](C)c1cnccc1C ZINC000271543214 1127091078 /nfs/dbraw/zinc/09/10/78/1127091078.db2.gz STLBZSQZNLOOIW-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1cncc(C)c1 ZINC000271573546 1127093130 /nfs/dbraw/zinc/09/31/30/1127093130.db2.gz VYZLSSMUBXFSCG-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H](C)c2ccc(F)c(F)c2)n[nH]1 ZINC000271583648 1127094045 /nfs/dbraw/zinc/09/40/45/1127094045.db2.gz XFPQIJAQMOWYAP-UWVGGRQHSA-N 0 1 294.349 3.618 20 0 CHADMN COc1cc([C@H](C)N[C@@H](C)c2cn[nH]c2)ccc1SC ZINC000271597688 1127094227 /nfs/dbraw/zinc/09/42/27/1127094227.db2.gz ZDDSNPYXEZAZFC-QWRGUYRKSA-N 0 1 291.420 3.552 20 0 CHADMN Cc1ccccc1[C@H](NCc1ncc(Cl)n1C)C1CC1 ZINC000271606893 1127094910 /nfs/dbraw/zinc/09/49/10/1127094910.db2.gz AEYKIWXVZSYAAE-MRXNPFEDSA-N 0 1 289.810 3.623 20 0 CHADMN FC[C@H]1CCCN1Cc1ccc(F)c2ccoc21 ZINC001236895671 1131028403 /nfs/dbraw/zinc/02/84/03/1131028403.db2.gz SVDWDPDDOBTBMW-LLVKDONJSA-N 0 1 251.276 3.506 20 0 CHADMN COc1cccc([C@H](C)NCc2cccc(Cl)n2)c1 ZINC000271659116 1127096126 /nfs/dbraw/zinc/09/61/26/1127096126.db2.gz KTAJHRREZHBOSH-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN Cc1nc2c(n1CCCOCc1ccccc1)CCCC2 ZINC000309972359 1127099715 /nfs/dbraw/zinc/09/97/15/1127099715.db2.gz OEIKJKOHAAAKCI-UHFFFAOYSA-N 0 1 284.403 3.677 20 0 CHADMN Cc1cnc(CN2CCC[C@]2(C)Cc2ccccc2F)nc1 ZINC000646010855 1127104308 /nfs/dbraw/zinc/10/43/08/1127104308.db2.gz UVHONWGRVOJROT-GOSISDBHSA-N 0 1 299.393 3.521 20 0 CHADMN COc1ccc2nc(C[N@@H+](C)[C@H]3CC3(C)C)sc2c1 ZINC000489501583 1127105847 /nfs/dbraw/zinc/10/58/47/1127105847.db2.gz WYBIIZOVMQRXSO-ZDUSSCGKSA-N 0 1 276.405 3.535 20 0 CHADMN COc1ccc2nc(CN(C)[C@H]3CC3(C)C)sc2c1 ZINC000489501583 1127105849 /nfs/dbraw/zinc/10/58/49/1127105849.db2.gz WYBIIZOVMQRXSO-ZDUSSCGKSA-N 0 1 276.405 3.535 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc3c(c2)CCCC3)nc1 ZINC000274214924 1127110719 /nfs/dbraw/zinc/11/07/19/1127110719.db2.gz NIXXHPQTNGDCDN-AWEZNQCLSA-N 0 1 296.414 3.820 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1cnccc1C)CCO2 ZINC000274346176 1127113305 /nfs/dbraw/zinc/11/33/05/1127113305.db2.gz FHDJSOQNFMINJA-GUYCJALGSA-N 0 1 298.386 3.573 20 0 CHADMN CC[C@@H](NCc1nn(CC)c2ccccc12)c1ccncc1 ZINC000274408070 1127118642 /nfs/dbraw/zinc/11/86/42/1127118642.db2.gz HHPFUGQNYRQZPM-MRXNPFEDSA-N 0 1 294.402 3.692 20 0 CHADMN CCSc1cccc(CN[C@H]2CCCc3c[nH]nc32)c1 ZINC000274388333 1127116543 /nfs/dbraw/zinc/11/65/43/1127116543.db2.gz BWLOWABKCAIDDO-HNNXBMFYSA-N 0 1 287.432 3.689 20 0 CHADMN C[C@H](NCCC1CC1)c1nc(C2CCCCC2)no1 ZINC000348531118 1127121137 /nfs/dbraw/zinc/12/11/37/1127121137.db2.gz BRDCYXLWUWRUMY-NSHDSACASA-N 0 1 263.385 3.568 20 0 CHADMN Cc1cnc(CN2C[C@@H](C)CC[C@H]2c2ccccc2)n1C ZINC000348634403 1127123423 /nfs/dbraw/zinc/12/34/23/1127123423.db2.gz LTRSKIKGKZJDOK-YOEHRIQHSA-N 0 1 283.419 3.702 20 0 CHADMN CN(Cc1ccc(Oc2ccccc2)o1)[C@H]1CCCOC1 ZINC000348736857 1127126422 /nfs/dbraw/zinc/12/64/22/1127126422.db2.gz ARSSDCIMCPIUOX-AWEZNQCLSA-N 0 1 287.359 3.683 20 0 CHADMN COc1cc([C@H](C)N[C@@H](C)c2cc(F)cc(F)c2)ccn1 ZINC000348675438 1127124095 /nfs/dbraw/zinc/12/40/95/1127124095.db2.gz BHLUXFXCGILLKJ-QWRGUYRKSA-N 0 1 292.329 3.780 20 0 CHADMN ClC1(Cl)C[C@H]1CN(Cc1cccs1)C1CC1 ZINC000913396213 1127131604 /nfs/dbraw/zinc/13/16/04/1127131604.db2.gz RMQFIOZSZTXDOD-VIFPVBQESA-N 0 1 276.232 3.906 20 0 CHADMN CSc1ccc([C@H](C)OC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC000798894800 1131055719 /nfs/dbraw/zinc/05/57/19/1131055719.db2.gz NFBZBBMYFHAGTL-SWLSCSKDSA-N 0 1 295.448 3.599 20 0 CHADMN CCOc1c(Cl)cccc1CN1CCCSCC1 ZINC000349072468 1127138914 /nfs/dbraw/zinc/13/89/14/1127138914.db2.gz ISDQWDLFJRMZRP-UHFFFAOYSA-N 0 1 285.840 3.678 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@H]2c2cccnc2)c1 ZINC000348918341 1127134382 /nfs/dbraw/zinc/13/43/82/1127134382.db2.gz BWRZMMSQSKKGCR-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CN(C)Cc1cnc(/C=C\c2ccc3ccccc3n2)s1 ZINC000349105816 1127139913 /nfs/dbraw/zinc/13/99/13/1127139913.db2.gz HNFIXZACXMXCGG-KTKRTIGZSA-N 0 1 295.411 3.923 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@H]2C2CCCC2)[nH]1 ZINC000283503579 1127140825 /nfs/dbraw/zinc/14/08/25/1127140825.db2.gz PBUBLGSXMNDLLD-INIZCTEOSA-N 0 1 297.402 3.666 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1Cc1cnc(Cl)cn1 ZINC000799125010 1131071485 /nfs/dbraw/zinc/07/14/85/1131071485.db2.gz YDMHLNYYTMTFAC-WCQYABFASA-N 0 1 267.804 3.531 20 0 CHADMN CC(C)(C)CCCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000349318153 1127147167 /nfs/dbraw/zinc/14/71/67/1127147167.db2.gz GHNXEONOGASELC-UHFFFAOYSA-N 0 1 259.353 3.718 20 0 CHADMN CN(Cc1ccc(O)cc1)Cc1cc(F)cc(Cl)c1 ZINC000349379550 1127149317 /nfs/dbraw/zinc/14/93/17/1127149317.db2.gz BQTQXTMSXGIIMR-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN CC(C)C[C@H](C)n1cc([C@@H](N)c2ccc(Cl)cc2)nn1 ZINC000641095749 1127154204 /nfs/dbraw/zinc/15/42/04/1127154204.db2.gz WINAKULSDGRJKC-NHYWBVRUSA-N 0 1 292.814 3.587 20 0 CHADMN CCN(Cc1cccs1)Cc1c(C)nc2ccccn21 ZINC000349564291 1127154263 /nfs/dbraw/zinc/15/42/63/1127154263.db2.gz SNZBTNMZIGQHBE-UHFFFAOYSA-N 0 1 285.416 3.726 20 0 CHADMN CN(Cc1ccc(O)cc1)Cc1cccc2c1OC(C)(C)C2 ZINC000349383899 1127150677 /nfs/dbraw/zinc/15/06/77/1127150677.db2.gz MVDUQBISYHVEIQ-UHFFFAOYSA-N 0 1 297.398 3.738 20 0 CHADMN Cc1ccc(CNCc2cnc(Cl)c(C)c2)cc1F ZINC000760656233 1127150895 /nfs/dbraw/zinc/15/08/95/1127150895.db2.gz LKYPJCSQPHERSJ-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN CSc1ccc(CNCc2cc(O)cc(F)c2)cc1 ZINC000349650644 1127156361 /nfs/dbraw/zinc/15/63/61/1127156361.db2.gz AYAJJGOWGFGWDL-UHFFFAOYSA-N 0 1 277.364 3.543 20 0 CHADMN Cc1ccccc1O[C@@H](C)CNCc1ncc(Cl)s1 ZINC000349652756 1127156732 /nfs/dbraw/zinc/15/67/32/1127156732.db2.gz GAYNCEAKGZSBRV-NSHDSACASA-N 0 1 296.823 3.662 20 0 CHADMN Clc1cnc(CNCCc2ccccc2Cl)s1 ZINC000349657219 1127156858 /nfs/dbraw/zinc/15/68/58/1127156858.db2.gz TXDDZWKMQJDWEG-UHFFFAOYSA-N 0 1 287.215 3.782 20 0 CHADMN Cc1cc(C2CCN(C(=O)CCCC(C)(C)C)CC2)n[nH]1 ZINC000349661810 1127157500 /nfs/dbraw/zinc/15/75/00/1127157500.db2.gz LKTROBRFVKBUSC-UHFFFAOYSA-N 0 1 291.439 3.641 20 0 CHADMN CN(Cc1ccc2c(c1)CCO2)Cc1ccc(F)c(F)c1 ZINC000349697823 1127157572 /nfs/dbraw/zinc/15/75/72/1127157572.db2.gz DPFBYZKULVCVEC-UHFFFAOYSA-N 0 1 289.325 3.532 20 0 CHADMN CC1(C)CCC[C@@H]1[C@@H]1CCN(Cc2nccn2C(F)F)C1 ZINC000646049649 1127160156 /nfs/dbraw/zinc/16/01/56/1127160156.db2.gz QGRQBLVUVLLTDF-CHWSQXEVSA-N 0 1 297.393 3.926 20 0 CHADMN Fc1ccccc1-c1ccc(CN2CCSCC2)o1 ZINC000349803310 1127161865 /nfs/dbraw/zinc/16/18/65/1127161865.db2.gz XSNLJPIKXQQEDT-UHFFFAOYSA-N 0 1 277.364 3.635 20 0 CHADMN COc1ccsc1CN(Cc1ccccc1)C1CC1 ZINC000349801075 1127161884 /nfs/dbraw/zinc/16/18/84/1127161884.db2.gz OFVATFANQJZBAK-UHFFFAOYSA-N 0 1 273.401 3.921 20 0 CHADMN C[C@@H]1CCC[C@@H](CCN[C@@H](CO)c2c(F)cccc2F)C1 ZINC001168381162 1127167950 /nfs/dbraw/zinc/16/79/50/1127167950.db2.gz BEUVEWGNEVDUEM-WWGRRREGSA-N 0 1 297.389 3.804 20 0 CHADMN O=S(=O)(Nc1cccc2ccccc21)c1ccsc1 ZINC000349950019 1127168511 /nfs/dbraw/zinc/16/85/11/1127168511.db2.gz UYZFVUJMJBPPKU-UHFFFAOYSA-N 0 1 289.381 3.702 20 0 CHADMN C[C@H](c1ccccc1F)N(C)CCc1cscn1 ZINC000283999337 1127169206 /nfs/dbraw/zinc/16/92/06/1127169206.db2.gz JRDHLPXUKJJZJF-LLVKDONJSA-N 0 1 264.369 3.518 20 0 CHADMN CCCN(Cc1conc1CC)Cc1ccccc1 ZINC000350218891 1127175356 /nfs/dbraw/zinc/17/53/56/1127175356.db2.gz JMOXQXYXFDGEEJ-UHFFFAOYSA-N 0 1 258.365 3.649 20 0 CHADMN O=C(c1ccc2cncn2c1)N(CC1CCCCC1)C1CC1 ZINC000284128059 1127175360 /nfs/dbraw/zinc/17/53/60/1127175360.db2.gz UPNCDIBBYNSPMC-UHFFFAOYSA-N 0 1 297.402 3.519 20 0 CHADMN Cc1nccc(N2CCO[C@H](c3ccccc3)C2)c1Cl ZINC000350252984 1127176088 /nfs/dbraw/zinc/17/60/88/1127176088.db2.gz PTRWVWRTTDSSNI-HNNXBMFYSA-N 0 1 288.778 3.621 20 0 CHADMN Cc1cc([C@H](C)NCCc2ccccc2C(F)(F)F)no1 ZINC000284287776 1127179962 /nfs/dbraw/zinc/17/99/62/1127179962.db2.gz XRIUUNORJNLQQW-NSHDSACASA-N 0 1 298.308 3.895 20 0 CHADMN c1c(CN(C2CC2)C2CCCCC2)nnn1-c1ccccc1 ZINC000588670180 1127189459 /nfs/dbraw/zinc/18/94/59/1127189459.db2.gz DXIUBMMDFQCGGH-UHFFFAOYSA-N 0 1 296.418 3.564 20 0 CHADMN CC(C)Cn1ccnc1NCc1ccc(Cl)c(F)c1 ZINC000351569632 1127194060 /nfs/dbraw/zinc/19/40/60/1127194060.db2.gz SKQNJRDYSDLCDO-UHFFFAOYSA-N 0 1 281.762 3.944 20 0 CHADMN CSCc1cnc(CN2CC[C@H](CC(C)C)C2)s1 ZINC000351569170 1127194405 /nfs/dbraw/zinc/19/44/05/1127194405.db2.gz RRDIQYDNDQTAFT-GFCCVEGCSA-N 0 1 284.494 3.874 20 0 CHADMN c1cn(-c2ccccc2)c(NCc2cccc3cc[nH]c32)n1 ZINC000351568161 1127194516 /nfs/dbraw/zinc/19/45/16/1127194516.db2.gz MDIAAUCCFAMPLO-UHFFFAOYSA-N 0 1 288.354 3.966 20 0 CHADMN Cc1ncsc1CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000351609869 1127198666 /nfs/dbraw/zinc/19/86/66/1127198666.db2.gz NADXQUIQCIVNAE-NSHDSACASA-N 0 1 294.370 3.719 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1ccc2c(n1)CCC2 ZINC000572484815 1127200590 /nfs/dbraw/zinc/20/05/90/1127200590.db2.gz VHKICFJTGKSHGF-UHFFFAOYSA-N 0 1 296.414 3.601 20 0 CHADMN CN(CCCCc1ccccc1)Cc1cn2ccsc2n1 ZINC000588899951 1127204300 /nfs/dbraw/zinc/20/43/00/1127204300.db2.gz QKOXYPPXAGMUEX-UHFFFAOYSA-N 0 1 299.443 3.851 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1CCC(C)(C)CC1 ZINC000588905074 1127204534 /nfs/dbraw/zinc/20/45/34/1127204534.db2.gz XHOATZBMPFFZRZ-LLVKDONJSA-N 0 1 291.420 3.981 20 0 CHADMN Cc1cc([C@@H](C)NCC2(Cc3ccccc3)CC2)no1 ZINC000284859492 1127209461 /nfs/dbraw/zinc/20/94/61/1127209461.db2.gz ANIKWUUEHXRERA-CQSZACIVSA-N 0 1 270.376 3.657 20 0 CHADMN C[C@@H](F)CCN1CCc2cccc(Br)c2C1 ZINC000351879924 1127212685 /nfs/dbraw/zinc/21/26/85/1127212685.db2.gz IDQKUKLOAWKJJT-SNVBAGLBSA-N 0 1 286.188 3.555 20 0 CHADMN CCc1cc(CN2CCCO[C@@H](C)C2)ccc1Cl ZINC001237738452 1131136964 /nfs/dbraw/zinc/13/69/64/1131136964.db2.gz KBTCPNZGDWLVSS-LBPRGKRZSA-N 0 1 267.800 3.513 20 0 CHADMN Clc1csc(CN2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000285053386 1127215163 /nfs/dbraw/zinc/21/51/63/1127215163.db2.gz LGVJVHHOEUKQIO-STQMWFEESA-N 0 1 271.813 3.545 20 0 CHADMN Clc1csc(CN2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000285053377 1127215551 /nfs/dbraw/zinc/21/55/51/1127215551.db2.gz LGVJVHHOEUKQIO-QWHCGFSZSA-N 0 1 271.813 3.545 20 0 CHADMN Cc1sc2[nH]c(-c3nc4ccccc4o3)nc(=O)c2c1C ZINC000352206352 1127220660 /nfs/dbraw/zinc/22/06/60/1127220660.db2.gz MFZGPCIUWVYYJI-UHFFFAOYSA-N 0 1 297.339 3.822 20 0 CHADMN Cc1ccc2nc(SCC3CCC(=O)CC3)[nH]c2c1 ZINC000285353354 1127223018 /nfs/dbraw/zinc/22/30/18/1127223018.db2.gz UQDXCLVQAKHIBF-UHFFFAOYSA-N 0 1 274.389 3.723 20 0 CHADMN CCC[C@H](NCc1c(C)cnn1C)c1ccc(F)cc1F ZINC000285352406 1127223136 /nfs/dbraw/zinc/22/31/36/1127223136.db2.gz AAJJSJYAKDUJIS-HNNXBMFYSA-N 0 1 293.361 3.638 20 0 CHADMN Cc1cccnc1[C@H](NCc1ccc2c(n1)CCC2)C(C)C ZINC000572699562 1127224677 /nfs/dbraw/zinc/22/46/77/1127224677.db2.gz PAZKRNPRRJAVGZ-GOSISDBHSA-N 0 1 295.430 3.761 20 0 CHADMN C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1 ZINC000223496462 1127225897 /nfs/dbraw/zinc/22/58/97/1127225897.db2.gz RLRMFKJTZADDRM-RBSFLKMASA-N 0 1 281.440 3.636 20 0 CHADMN Cc1cc2cc(CNCc3cnn(C(C)(C)C)c3)ccc2[nH]1 ZINC000285438046 1127227331 /nfs/dbraw/zinc/22/73/31/1127227331.db2.gz HXXOZYRUKMEVCV-UHFFFAOYSA-N 0 1 296.418 3.718 20 0 CHADMN Cc1cc(F)ccc1CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000352424036 1127231217 /nfs/dbraw/zinc/23/12/17/1127231217.db2.gz QJWUPUVZICGCGC-IRXDYDNUSA-N 0 1 289.394 3.668 20 0 CHADMN CO[C@@H]1CN(Cc2ccccc2C(F)(F)F)CC[C@H]1C ZINC000352401635 1127229129 /nfs/dbraw/zinc/22/91/29/1127229129.db2.gz JAHWAXIBJLXLGW-BXUZGUMPSA-N 0 1 287.325 3.562 20 0 CHADMN CO[C@]1(C)CCCN(Cc2ccccc2C(F)(F)F)C1 ZINC000352412332 1127230541 /nfs/dbraw/zinc/23/05/41/1127230541.db2.gz DVVHBRAWYFEDBU-CQSZACIVSA-N 0 1 287.325 3.706 20 0 CHADMN Cc1cc(CNC(c2ccccc2)c2ccccc2)[nH]n1 ZINC000589633922 1127230846 /nfs/dbraw/zinc/23/08/46/1127230846.db2.gz XBPFVBFJNTVUAT-UHFFFAOYSA-N 0 1 277.371 3.597 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)[nH]n1 ZINC000589636505 1127230998 /nfs/dbraw/zinc/23/09/98/1127230998.db2.gz SCOUMIAWTAFURP-SECBINFHSA-N 0 1 284.190 3.876 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(C(F)(F)F)cc2)[nH]n1 ZINC000589639231 1127231472 /nfs/dbraw/zinc/23/14/72/1127231472.db2.gz YDZNBOGHKFMEIR-JTQLQIEISA-N 0 1 283.297 3.588 20 0 CHADMN Clc1ccccc1CNCc1[nH]nc2ccccc21 ZINC000589633502 1127231504 /nfs/dbraw/zinc/23/15/04/1127231504.db2.gz KTEQUZGNHSQSFB-UHFFFAOYSA-N 0 1 271.751 3.506 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000352433569 1127232317 /nfs/dbraw/zinc/23/23/17/1127232317.db2.gz WICKDBHBQPCSCT-KBRIMQKVSA-N 0 1 289.394 3.920 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1nn(C)c2ccccc12 ZINC000589647772 1127233019 /nfs/dbraw/zinc/23/30/19/1127233019.db2.gz MFHCIWTYTVOUHX-QGZVFWFLSA-N 0 1 291.398 3.659 20 0 CHADMN COc1ccc2c(c1)C1(CC1)CN(Cc1cccs1)C2 ZINC000352437948 1127233184 /nfs/dbraw/zinc/23/31/84/1127233184.db2.gz FJUYNJAYMKEXQH-UHFFFAOYSA-N 0 1 285.412 3.804 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1F ZINC000165665670 1127241046 /nfs/dbraw/zinc/24/10/46/1127241046.db2.gz WLNPDVCMKZWCOC-CYBMUJFWSA-N 0 1 299.773 3.698 20 0 CHADMN CCc1ccc([C@@H](C)C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000589945733 1127242443 /nfs/dbraw/zinc/24/24/43/1127242443.db2.gz XDLZAWRSPTZIQB-GFCCVEGCSA-N 0 1 293.370 3.868 20 0 CHADMN CC(C)CN(C)Cc1csc(-c2ccc(O)cc2)n1 ZINC001237977507 1131156353 /nfs/dbraw/zinc/15/63/53/1131156353.db2.gz JIYKLAQEVBWEJR-UHFFFAOYSA-N 0 1 276.405 3.604 20 0 CHADMN CCc1cccc(CC)c1NC(=O)CN1CCC[C@H]1CC ZINC000590062027 1127247473 /nfs/dbraw/zinc/24/74/73/1127247473.db2.gz OZYJYCXZNWIZSG-MRXNPFEDSA-N 0 1 288.435 3.624 20 0 CHADMN Cc1ccnc([C@@H](C)NC2(c3ccccc3)CC2)c1 ZINC000285940288 1127248176 /nfs/dbraw/zinc/24/81/76/1127248176.db2.gz DITWXOKSOSACTA-CQSZACIVSA-N 0 1 252.361 3.730 20 0 CHADMN CSc1ccc(CN[C@@H](C)c2ccncc2F)s1 ZINC000352909105 1127249468 /nfs/dbraw/zinc/24/94/68/1127249468.db2.gz YECXMZXURJVYTR-VIFPVBQESA-N 0 1 282.409 3.855 20 0 CHADMN Oc1c(F)cc(CN2CCCC[C@H](F)C2)cc1Cl ZINC001237985379 1131158762 /nfs/dbraw/zinc/15/87/62/1131158762.db2.gz WKTPEKGXLVEZER-JTQLQIEISA-N 0 1 275.726 3.509 20 0 CHADMN C[N@H+](Cc1ccsc1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237996627 1131159664 /nfs/dbraw/zinc/15/96/64/1131159664.db2.gz GJKBAKKRCLSDNL-UHFFFAOYSA-N 0 1 285.771 3.878 20 0 CHADMN C[N@@H+](Cc1ccsc1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237996627 1131159667 /nfs/dbraw/zinc/15/96/67/1131159667.db2.gz GJKBAKKRCLSDNL-UHFFFAOYSA-N 0 1 285.771 3.878 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1cc(C)cc(C)n1)C2 ZINC001307856497 1127257983 /nfs/dbraw/zinc/25/79/83/1127257983.db2.gz LEPNUJVGFUYGBY-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN COCC[C@H](N[C@@H](C)c1cnccc1C)c1ccc(C)o1 ZINC000352970388 1127255238 /nfs/dbraw/zinc/25/52/38/1127255238.db2.gz UTMGIMJLFPONHD-HOCLYGCPSA-N 0 1 288.391 3.720 20 0 CHADMN CN(CCOc1ccccc1C(F)(F)F)Cc1ccoc1 ZINC000353075549 1127260558 /nfs/dbraw/zinc/26/05/58/1127260558.db2.gz HIEBEZCXPUYYAL-UHFFFAOYSA-N 0 1 299.292 3.809 20 0 CHADMN C[C@H](NCc1ccccc1F)c1ccc2n[nH]cc2c1 ZINC000353104749 1127260872 /nfs/dbraw/zinc/26/08/72/1127260872.db2.gz XMHVZLZRLDOIJH-NSHDSACASA-N 0 1 269.323 3.553 20 0 CHADMN FC(F)(F)C1(CNCc2csc(C3CC3)n2)CCC1 ZINC000353079700 1127261385 /nfs/dbraw/zinc/26/13/85/1127261385.db2.gz BFLZJRUPLZVOOY-UHFFFAOYSA-N 0 1 290.354 3.843 20 0 CHADMN CC(C)Sc1cccc(Cl)c1CN1CC[C@@](C)(O)C1 ZINC000353652697 1127272006 /nfs/dbraw/zinc/27/20/06/1127272006.db2.gz FPIQRLRKFOTEKG-OAHLLOKOSA-N 0 1 299.867 3.797 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CCC[C@H]1C1CC1 ZINC000590787866 1127273300 /nfs/dbraw/zinc/27/33/00/1127273300.db2.gz LMKKSMJTWWXFOD-AWEZNQCLSA-N 0 1 287.382 3.570 20 0 CHADMN COc1ccc2c(c1)CCCN(Cc1ccccc1F)C2 ZINC000590789092 1127273432 /nfs/dbraw/zinc/27/34/32/1127273432.db2.gz PGENOZFMASJZTG-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN CCC(CC)[N@@H+](CC)Cc1ccc(C(=O)[O-])cc1C ZINC001238149234 1131173768 /nfs/dbraw/zinc/17/37/68/1131173768.db2.gz LAJRNTWFJIHOHR-UHFFFAOYSA-N 0 1 263.381 3.704 20 0 CHADMN COc1ccc(CN[C@@H](c2ccc(F)cn2)C(C)C)cc1 ZINC000353553819 1127270484 /nfs/dbraw/zinc/27/04/84/1127270484.db2.gz SRFXBYKNDUYXLA-QGZVFWFLSA-N 0 1 288.366 3.716 20 0 CHADMN CC(C)(C)/C=C/C(=O)Nc1cc(Cl)c(O)cc1F ZINC000286890648 1127275421 /nfs/dbraw/zinc/27/54/21/1127275421.db2.gz MACNKXIRCFZNBJ-SNAWJCMRSA-N 0 1 271.719 3.726 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@H](c1nccn1C)C1CC1 ZINC000353893249 1127276375 /nfs/dbraw/zinc/27/63/75/1127276375.db2.gz ZUJYEVHRJDOYQT-CJNGLKHVSA-N 0 1 269.392 3.530 20 0 CHADMN CC(C)c1cc(CN2CCOC[C@H](C)C2)ccc1Cl ZINC001238216584 1131182138 /nfs/dbraw/zinc/18/21/38/1131182138.db2.gz CHHMMXLEUKCSPE-CYBMUJFWSA-N 0 1 281.827 3.932 20 0 CHADMN C[C@H](NCC1(C(F)(F)F)CC1)c1nc2ccccc2n1C ZINC000353988931 1127283549 /nfs/dbraw/zinc/28/35/49/1127283549.db2.gz YTEUKTOLBYPJSI-JTQLQIEISA-N 0 1 297.324 3.566 20 0 CHADMN C[C@H]1CCN(Cc2nc3cccnc3s2)CC1(C)C ZINC000354014695 1127285478 /nfs/dbraw/zinc/28/54/78/1127285478.db2.gz NLJOEABNFIACPX-NSHDSACASA-N 0 1 275.421 3.559 20 0 CHADMN C[C@@H](NCC1(C(F)(F)F)CCC1)c1nccs1 ZINC000353995877 1127284120 /nfs/dbraw/zinc/28/41/20/1127284120.db2.gz LYNRGPMEXCOPKE-MRVPVSSYSA-N 0 1 264.316 3.526 20 0 CHADMN CCc1cnc(CN(C)C[C@@H]2C[C@H]2c2ccccc2)s1 ZINC000354011773 1127285107 /nfs/dbraw/zinc/28/51/07/1127285107.db2.gz UVUMLHXVLTVCAF-HOCLYGCPSA-N 0 1 286.444 3.941 20 0 CHADMN CSCC[C@@H](C)N(C)c1ccnc(C)c1Cl ZINC000354023274 1127285856 /nfs/dbraw/zinc/28/58/56/1127285856.db2.gz XYPOGKMFHVURRR-SECBINFHSA-N 0 1 258.818 3.621 20 0 CHADMN O=C(C/C=C/c1ccc(F)cc1)Nc1ccc2nc[nH]c2c1 ZINC000354043506 1127288097 /nfs/dbraw/zinc/28/80/97/1127288097.db2.gz NLNYMQVYKWXUEA-OWOJBTEDSA-N 0 1 295.317 3.744 20 0 CHADMN COc1ccc(Cl)cc1CN1CCC[C@@H]1CSC ZINC000354078277 1127290549 /nfs/dbraw/zinc/29/05/49/1127290549.db2.gz POGAUEVSACXWBS-CYBMUJFWSA-N 0 1 285.840 3.676 20 0 CHADMN CSC[C@H]1CCCN1Cc1ccc(F)cc1Cl ZINC000354100811 1127293166 /nfs/dbraw/zinc/29/31/66/1127293166.db2.gz PKYJFSMEQRCSPR-GFCCVEGCSA-N 0 1 273.804 3.807 20 0 CHADMN C[C@H](CCOC1CN(C(C)(C)C)C1)c1ccccc1 ZINC001224996018 1127293889 /nfs/dbraw/zinc/29/38/89/1127293889.db2.gz ALXPFWHXUCDGSL-CQSZACIVSA-N 0 1 261.409 3.680 20 0 CHADMN Fc1ccnc(Cl)c1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001238230222 1131186140 /nfs/dbraw/zinc/18/61/40/1131186140.db2.gz LTXCSHPUQZJJLU-GWCFXTLKSA-N 0 1 268.763 3.639 20 0 CHADMN Cc1nccc(N2CCc3ccc(F)c(F)c3C2)c1Cl ZINC000354165192 1127297096 /nfs/dbraw/zinc/29/70/96/1127297096.db2.gz SIZZPFJGCAKZQT-UHFFFAOYSA-N 0 1 294.732 3.884 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000573212816 1127298584 /nfs/dbraw/zinc/29/85/84/1127298584.db2.gz KDOQHGDNXWOWHY-LLVKDONJSA-N 0 1 281.783 3.660 20 0 CHADMN CC[C@H](CC1CCCC1)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000354337589 1127303739 /nfs/dbraw/zinc/30/37/39/1127303739.db2.gz APBYUKZXOJVKTJ-GFCCVEGCSA-N 0 1 290.411 3.617 20 0 CHADMN CC[C@H](CC1CCCC1)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000354337589 1127303743 /nfs/dbraw/zinc/30/37/43/1127303743.db2.gz APBYUKZXOJVKTJ-GFCCVEGCSA-N 0 1 290.411 3.617 20 0 CHADMN CC1(C)CCCC[C@@H]1NCc1ncc(C(F)(F)F)cn1 ZINC000573292380 1127304430 /nfs/dbraw/zinc/30/44/30/1127304430.db2.gz CNPCPSBLYHGSIM-NSHDSACASA-N 0 1 287.329 3.554 20 0 CHADMN CCO[C@H](c1noc(-c2ccc(O)c(Cl)c2)n1)C(C)C ZINC000157406172 1127308681 /nfs/dbraw/zinc/30/86/81/1127308681.db2.gz LWHWPJTZXKORRV-LBPRGKRZSA-N 0 1 296.754 3.829 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000573500309 1127316404 /nfs/dbraw/zinc/31/64/04/1127316404.db2.gz QMDOHZZSHVFOIM-HIFRSBDPSA-N 0 1 299.370 3.746 20 0 CHADMN COC[C@@H](N[C@H](C)CSC)c1cccc(Cl)c1F ZINC000287889650 1127314374 /nfs/dbraw/zinc/31/43/74/1127314374.db2.gz YYGMUEWTIQVSSJ-BXKDBHETSA-N 0 1 291.819 3.508 20 0 CHADMN C[C@@H]1C[C@H](C)CCN(Cc2ccc(Br)cn2)C1 ZINC000355114469 1127317467 /nfs/dbraw/zinc/31/74/67/1127317467.db2.gz PEMZVMPQDHVSNV-VXGBXAGGSA-N 0 1 297.240 3.712 20 0 CHADMN O=C1CCN(Cc2cccc3ccccc32)C2(CCC2)C1 ZINC000573575889 1127319393 /nfs/dbraw/zinc/31/93/93/1127319393.db2.gz JDSCZNOWFBIDNI-UHFFFAOYSA-N 0 1 279.383 3.927 20 0 CHADMN FC[C@H]1CCCN1Cc1cccc(OC2CCCC2)c1 ZINC000573589043 1127319762 /nfs/dbraw/zinc/31/97/62/1127319762.db2.gz WAGJOTUNUYWPEC-OAHLLOKOSA-N 0 1 277.383 3.942 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cnccc2C)c1 ZINC000355168884 1127322426 /nfs/dbraw/zinc/32/24/26/1127322426.db2.gz SWAHWWKBNNKGJL-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN FC(F)(F)CN1CCN(CCC2CCCCCC2)CC1 ZINC000573645758 1127323613 /nfs/dbraw/zinc/32/36/13/1127323613.db2.gz VCJLWEIVCQSQGK-UHFFFAOYSA-N 0 1 292.389 3.527 20 0 CHADMN CS[C@@H]1CCCCN(Cc2c(F)cccc2F)C1 ZINC000355203763 1127324534 /nfs/dbraw/zinc/32/45/34/1127324534.db2.gz YCMJKCYMBDLCPL-LLVKDONJSA-N 0 1 271.376 3.682 20 0 CHADMN CC(C)c1nc(CN2CCC[C@H]([C@@H]3CCOC3)C2)cs1 ZINC000355206276 1127324631 /nfs/dbraw/zinc/32/46/31/1127324631.db2.gz LZIUZNYAEQCKNI-UONOGXRCSA-N 0 1 294.464 3.515 20 0 CHADMN CCC(C)(C)N(C)Cc1cnc(C(F)(F)F)s1 ZINC000355287029 1127331896 /nfs/dbraw/zinc/33/18/96/1127331896.db2.gz VZWCXLAGBUUGCY-UHFFFAOYSA-N 0 1 266.332 3.782 20 0 CHADMN COC[C@H](NCc1cccs1)c1cccc(Cl)c1 ZINC000288555333 1127347542 /nfs/dbraw/zinc/34/75/42/1127347542.db2.gz LTVFITWVRJCKGM-AWEZNQCLSA-N 0 1 281.808 3.879 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3ccc(C(C)C)cn3)ccc12 ZINC000355530021 1127347728 /nfs/dbraw/zinc/34/77/28/1127347728.db2.gz LFRHQGJRZULVCB-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN CC(C)N(Cc1cccs1)Cc1ccc(Cl)nn1 ZINC000167236725 1127343782 /nfs/dbraw/zinc/34/37/82/1127343782.db2.gz MOHMRHDWEKTFTL-UHFFFAOYSA-N 0 1 281.812 3.602 20 0 CHADMN CCCn1cc(CN[C@@H]2CCCc3ccc(F)cc32)cn1 ZINC000355510949 1127346249 /nfs/dbraw/zinc/34/62/49/1127346249.db2.gz HZEWQPUPUYHSLE-QGZVFWFLSA-N 0 1 287.382 3.599 20 0 CHADMN Cc1ccc(Oc2ccccc2CNCc2cn[nH]c2)cc1 ZINC000592456841 1127350622 /nfs/dbraw/zinc/35/06/22/1127350622.db2.gz NFUSCRIYJKVCCQ-UHFFFAOYSA-N 0 1 293.370 3.800 20 0 CHADMN CC[N@@H+](CCSC)Cc1cnc(-c2ccco2)s1 ZINC000592527143 1127353071 /nfs/dbraw/zinc/35/30/71/1127353071.db2.gz DIPGEHDJKTUTAP-UHFFFAOYSA-N 0 1 282.434 3.588 20 0 CHADMN CCN(CCSC)Cc1cnc(-c2ccco2)s1 ZINC000592527143 1127353076 /nfs/dbraw/zinc/35/30/76/1127353076.db2.gz DIPGEHDJKTUTAP-UHFFFAOYSA-N 0 1 282.434 3.588 20 0 CHADMN CC[N@@H+](CCSC)Cc1cnc(C2CCC2)s1 ZINC000592528775 1127353324 /nfs/dbraw/zinc/35/33/24/1127353324.db2.gz FYWHFCZMNUNKPJ-UHFFFAOYSA-N 0 1 270.467 3.596 20 0 CHADMN CCN(CCSC)Cc1cnc(C2CCC2)s1 ZINC000592528775 1127353328 /nfs/dbraw/zinc/35/33/28/1127353328.db2.gz FYWHFCZMNUNKPJ-UHFFFAOYSA-N 0 1 270.467 3.596 20 0 CHADMN CCCc1csc(CN(CC)CC2CCC2)n1 ZINC000355611242 1127353589 /nfs/dbraw/zinc/35/35/89/1127353589.db2.gz VSRFZURZOAGMLT-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cc2ccn(C(F)F)n2)C1 ZINC000355655245 1127356387 /nfs/dbraw/zinc/35/63/87/1127356387.db2.gz HPWDVORRTNZHHC-NSHDSACASA-N 0 1 271.355 3.536 20 0 CHADMN Cc1ccc(CN(CCO)Cc2ccc3ccccc3c2)o1 ZINC000355666922 1127357410 /nfs/dbraw/zinc/35/74/10/1127357410.db2.gz ZHWUKTQAKYBDSU-UHFFFAOYSA-N 0 1 295.382 3.736 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC[C@@]2(CCCOC2)C1 ZINC000355779842 1127364242 /nfs/dbraw/zinc/36/42/42/1127364242.db2.gz HDXSCNNCMWYMMJ-CXAGYDPISA-N 0 1 295.373 3.918 20 0 CHADMN COc1ccnc(CN(C)Cc2ccc3ccccc3c2)c1 ZINC000592805138 1127362504 /nfs/dbraw/zinc/36/25/04/1127362504.db2.gz FMKFVQYVRPQEDO-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN COC(=O)c1cccc(CN2CCC23CCCC3)c1Cl ZINC000593040129 1127368982 /nfs/dbraw/zinc/36/89/82/1127368982.db2.gz YXSJJMCEJJYVPJ-UHFFFAOYSA-N 0 1 293.794 3.645 20 0 CHADMN CCC[C@]1(CO)CCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000288990986 1127369918 /nfs/dbraw/zinc/36/99/18/1127369918.db2.gz ZXMWPICOJWJSTK-WBMJQRKESA-N 0 1 283.362 3.510 20 0 CHADMN C[C@@H](O)c1ncc(CN[C@@H](C)c2ccc(Cl)cc2)s1 ZINC000289315155 1127380876 /nfs/dbraw/zinc/38/08/76/1127380876.db2.gz SNYOETJJNDOZFN-VHSXEESVSA-N 0 1 296.823 3.701 20 0 CHADMN Cc1cc(Nc2cnc(F)c(C)c2)c2ccccc2n1 ZINC001212173343 1127381216 /nfs/dbraw/zinc/38/12/16/1127381216.db2.gz GEWAKEDTXXXNIF-UHFFFAOYSA-N 0 1 267.307 3.551 20 0 CHADMN CCC[C@H](NCc1cnc([C@@H](C)O)s1)c1ccccc1 ZINC000289337129 1127381867 /nfs/dbraw/zinc/38/18/67/1127381867.db2.gz VROTVKOGEJRSIK-DOMZBBRYSA-N 0 1 290.432 3.827 20 0 CHADMN CC(C)CCOCC[N@H+]1CCCc2sccc2C1 ZINC000593440018 1127384742 /nfs/dbraw/zinc/38/47/42/1127384742.db2.gz JQQMJYWYKUEOIS-UHFFFAOYSA-N 0 1 267.438 3.559 20 0 CHADMN CC/C=C/CCN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000466826666 1127385941 /nfs/dbraw/zinc/38/59/41/1127385941.db2.gz RYETZMBANZJECT-PQAMPZAHSA-N 0 1 259.393 3.805 20 0 CHADMN CC/C=C\CCN1CCc2[nH]c3ccccc3c2C1 ZINC000466829046 1127388739 /nfs/dbraw/zinc/38/87/39/1127388739.db2.gz ODBVNZCUCYETBN-ARJAWSKDSA-N 0 1 254.377 3.882 20 0 CHADMN CCn1cccc1CN(C)Cc1ccccc1SC ZINC000358049975 1127399731 /nfs/dbraw/zinc/39/97/31/1127399731.db2.gz PIAHBWKQIPEODJ-UHFFFAOYSA-N 0 1 274.433 3.862 20 0 CHADMN COC(=O)c1ccc(Cl)c(CN2CCC3(CCC3)C2)c1 ZINC000358041893 1127398449 /nfs/dbraw/zinc/39/84/49/1127398449.db2.gz YABDWARRIMSOFZ-UHFFFAOYSA-N 0 1 293.794 3.503 20 0 CHADMN FC(F)Oc1ccc(CN2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761041014 1127400650 /nfs/dbraw/zinc/40/06/50/1127400650.db2.gz KNWIHYZTITYGSB-JTQLQIEISA-N 0 1 295.251 3.672 20 0 CHADMN CCCCN(C)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000466832101 1127401917 /nfs/dbraw/zinc/40/19/17/1127401917.db2.gz QGARYCLTPOYIEH-UHFFFAOYSA-N 0 1 277.799 3.758 20 0 CHADMN COC[C@@H](CC(C)C)NCc1coc(-c2cccs2)n1 ZINC000358086055 1127401956 /nfs/dbraw/zinc/40/19/56/1127401956.db2.gz VYGOWXNQJQJIMW-GFCCVEGCSA-N 0 1 294.420 3.554 20 0 CHADMN OC[C@H](N[C@H]1CCCc2sccc21)c1cccc(F)c1 ZINC000358168092 1127405905 /nfs/dbraw/zinc/40/59/05/1127405905.db2.gz ZLAGOVJDZZEXFR-GJZGRUSLSA-N 0 1 291.391 3.588 20 0 CHADMN C[C@H](c1ccccc1F)N1CC[C@H](C(F)(F)F)C1 ZINC000761043519 1127406780 /nfs/dbraw/zinc/40/67/80/1127406780.db2.gz WOEUIKVMIANMFM-ZJUUUORDSA-N 0 1 261.262 3.771 20 0 CHADMN C[C@H](c1ccccc1F)N1CC[C@@H](C(F)(F)F)C1 ZINC000761043516 1127406803 /nfs/dbraw/zinc/40/68/03/1127406803.db2.gz WOEUIKVMIANMFM-NXEZZACHSA-N 0 1 261.262 3.771 20 0 CHADMN Fc1ccccc1SCCN1CC[C@@H](C(F)(F)F)C1 ZINC000761044379 1127408502 /nfs/dbraw/zinc/40/85/02/1127408502.db2.gz JQHTWHNDAXAFGX-SNVBAGLBSA-N 0 1 293.329 3.802 20 0 CHADMN CC[C@@H](N[C@H](C)c1n[nH]c(C(C)C)n1)c1cccs1 ZINC000358231704 1127409733 /nfs/dbraw/zinc/40/97/33/1127409733.db2.gz AKGKKJAPCSWKKG-GHMZBOCLSA-N 0 1 278.425 3.792 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@@H](C(C)(C)C)C2)c1 ZINC000358285293 1127412738 /nfs/dbraw/zinc/41/27/38/1127412738.db2.gz DCCSNKLYINOKBF-CQSZACIVSA-N 0 1 299.418 3.770 20 0 CHADMN CC(C)CC[C@H](C)NCc1nnc(C(C)C)s1 ZINC000358287007 1127412855 /nfs/dbraw/zinc/41/28/55/1127412855.db2.gz HYGVRUHXRHLBNF-NSHDSACASA-N 0 1 255.431 3.576 20 0 CHADMN C[C@H](NCc1ccc2c(c1)COC2)c1cc(F)cc(F)c1 ZINC000358315927 1127415247 /nfs/dbraw/zinc/41/52/47/1127415247.db2.gz HYDNRSHBPQXWCA-NSHDSACASA-N 0 1 289.325 3.846 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)COC2)c1cc(F)cc(F)c1 ZINC000358315925 1127415686 /nfs/dbraw/zinc/41/56/86/1127415686.db2.gz HYDNRSHBPQXWCA-LLVKDONJSA-N 0 1 289.325 3.846 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H](c1cccnc1)C1CC1 ZINC000358357493 1127416667 /nfs/dbraw/zinc/41/66/67/1127416667.db2.gz XABAGDJKKIDZCW-SCLBCKFNSA-N 0 1 282.387 3.892 20 0 CHADMN CCSc1ccccc1[C@H](C)N[C@H](C)c1cn[nH]c1 ZINC000358364577 1127417862 /nfs/dbraw/zinc/41/78/62/1127417862.db2.gz GIRYTIZVAZPQGM-NEPJUHHUSA-N 0 1 275.421 3.934 20 0 CHADMN Cc1ccsc1[C@H](CO)N[C@H](C)c1sc(C)nc1C ZINC000358407235 1127419987 /nfs/dbraw/zinc/41/99/87/1127419987.db2.gz TTYYEUXMERYRSX-PWSUYJOCSA-N 0 1 296.461 3.514 20 0 CHADMN c1cc2c(s1)CCC[C@H]2N[C@@H]1CCc2cccnc21 ZINC000226819399 1127427262 /nfs/dbraw/zinc/42/72/62/1127427262.db2.gz ADZCWSKEMOLCHH-ZIAGYGMSSA-N 0 1 270.401 3.798 20 0 CHADMN FC(F)(F)c1cccc(CN[C@H]2CCc3cccnc32)c1 ZINC000226797927 1127427661 /nfs/dbraw/zinc/42/76/61/1127427661.db2.gz VOTPZQUMBVCHDR-AWEZNQCLSA-N 0 1 292.304 3.878 20 0 CHADMN c1sc(C2CC2)nc1CNC12CC(c3ccccc3)(C1)C2 ZINC000641790097 1127429895 /nfs/dbraw/zinc/42/98/95/1127429895.db2.gz GGLSNRIZYYWNML-UHFFFAOYSA-N 0 1 296.439 3.984 20 0 CHADMN CC(C)c1cccc(CNCc2cnn(C(C)C)c2)c1 ZINC000358961463 1127441094 /nfs/dbraw/zinc/44/10/94/1127441094.db2.gz FUYXGCZNCWDAPV-UHFFFAOYSA-N 0 1 271.408 3.877 20 0 CHADMN FC(F)C1(CN[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000359004129 1127444137 /nfs/dbraw/zinc/44/41/37/1127444137.db2.gz SUQDVZYHXKHQPK-HNNXBMFYSA-N 0 1 288.341 3.806 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)CCCC(C)(C)C)n2)o1 ZINC000359006629 1127444456 /nfs/dbraw/zinc/44/44/56/1127444456.db2.gz YQIUSMBOEJUKFR-UHFFFAOYSA-N 0 1 290.367 3.528 20 0 CHADMN C[C@@H](NCc1ccc2ncccc2c1)c1cncs1 ZINC000359031973 1127445405 /nfs/dbraw/zinc/44/54/05/1127445405.db2.gz QWCAAUGONXNXOF-LLVKDONJSA-N 0 1 269.373 3.542 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1cccnc1C)[C@H]2C ZINC000359298064 1127457419 /nfs/dbraw/zinc/45/74/19/1127457419.db2.gz KFUWDOTXAVGGML-HIFRSBDPSA-N 0 1 296.414 3.906 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1cccnc1C)[C@H]2C ZINC000359298064 1127457420 /nfs/dbraw/zinc/45/74/20/1127457420.db2.gz KFUWDOTXAVGGML-HIFRSBDPSA-N 0 1 296.414 3.906 20 0 CHADMN C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[C@@H]2C[C@@H]21 ZINC000761101205 1127457531 /nfs/dbraw/zinc/45/75/31/1127457531.db2.gz YUZBVHQDSBPFTE-BREBYQMCSA-N 0 1 289.766 3.545 20 0 CHADMN C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3ccc(Cl)o3)C2)C1 ZINC000359299498 1127457684 /nfs/dbraw/zinc/45/76/84/1127457684.db2.gz LTUAAOZVGZVNHL-BXUZGUMPSA-N 0 1 253.773 3.945 20 0 CHADMN CC1(C)[C@H](c2ccccc2)CC[N@@H+]1Cc1ncccc1[O-] ZINC000574980187 1127460306 /nfs/dbraw/zinc/46/03/06/1127460306.db2.gz MINOXHHPYUHVLB-HNNXBMFYSA-N 0 1 282.387 3.555 20 0 CHADMN CC1(C)[C@H](c2ccccc2)CC[N@H+]1Cc1ncccc1[O-] ZINC000574980187 1127460307 /nfs/dbraw/zinc/46/03/07/1127460307.db2.gz MINOXHHPYUHVLB-HNNXBMFYSA-N 0 1 282.387 3.555 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(/C=C\c2nc(C3(N)CCCC3)no2)o1 ZINC000575045050 1127461002 /nfs/dbraw/zinc/46/10/02/1127461002.db2.gz MZWXLYLASVAREU-HHQZKXIDSA-N 0 1 299.374 3.684 20 0 CHADMN CC[C@@H](CNC1(C(=O)OC)CCCCCC1)CC(F)F ZINC000595411191 1127461959 /nfs/dbraw/zinc/46/19/59/1127461959.db2.gz ZOHAQRIIQCGDJV-GFCCVEGCSA-N 0 1 291.382 3.523 20 0 CHADMN CCOC(=O)c1sc([C@H](C)NCCC=C(C)C)nc1C ZINC000595436991 1127462961 /nfs/dbraw/zinc/46/29/61/1127462961.db2.gz PCKJBGIILRXKTI-LBPRGKRZSA-N 0 1 296.436 3.635 20 0 CHADMN Cc1nc(C)c(CNc2nc3cccc(C)c3s2)s1 ZINC000359531235 1127466541 /nfs/dbraw/zinc/46/65/41/1127466541.db2.gz KPOQFQHPSNECNW-UHFFFAOYSA-N 0 1 289.429 3.712 20 0 CHADMN Cc1coc2ccc(NC(=O)[C@H]3CCCc4[nH]ncc43)cc12 ZINC000359535522 1127466546 /nfs/dbraw/zinc/46/65/46/1127466546.db2.gz UUENLPOMIFVJAD-LBPRGKRZSA-N 0 1 295.342 3.523 20 0 CHADMN COC(=O)c1ccc(C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)s1 ZINC000359560289 1127468174 /nfs/dbraw/zinc/46/81/74/1127468174.db2.gz PXCLBMFUDQJTDA-WBMJQRKESA-N 0 1 293.432 3.547 20 0 CHADMN CC[C@H](CC(F)(F)F)NCc1nccn1-c1ccccc1 ZINC000359706448 1127474021 /nfs/dbraw/zinc/47/40/21/1127474021.db2.gz MILYKYHRCBIXRQ-GFCCVEGCSA-N 0 1 297.324 3.693 20 0 CHADMN CCn1nc(C)c([C@H](C)NCc2cc(F)cc(F)c2)c1C ZINC000359670940 1127472102 /nfs/dbraw/zinc/47/21/02/1127472102.db2.gz HIHRSPSQTNZBCX-JTQLQIEISA-N 0 1 293.361 3.649 20 0 CHADMN CCC(CC)CN(CC)Cc1noc2c1CCCC2 ZINC000595721156 1127474496 /nfs/dbraw/zinc/47/44/96/1127474496.db2.gz QOCXIWAWGBKUQS-UHFFFAOYSA-N 0 1 264.413 3.812 20 0 CHADMN COC(=O)[C@@H]1CCN([C@@H](C)c2ccc(Cl)cc2)C[C@@H]1C ZINC000595819293 1127475874 /nfs/dbraw/zinc/47/58/74/1127475874.db2.gz NSAQSHVIPOSZBB-SLEUVZQESA-N 0 1 295.810 3.532 20 0 CHADMN CC(C)(C)OC(=O)CCCNCc1ccsc1Cl ZINC000359746348 1127476050 /nfs/dbraw/zinc/47/60/50/1127476050.db2.gz MRDXBBVSIMBLQE-UHFFFAOYSA-N 0 1 289.828 3.613 20 0 CHADMN Cc1cc(C)c(CN2CCc3occc3C2)cc1C ZINC001231484896 1127478871 /nfs/dbraw/zinc/47/88/71/1127478871.db2.gz CRHNUMHFGHHWEU-UHFFFAOYSA-N 0 1 255.361 3.763 20 0 CHADMN CO[C@@H](C)CN1CCCC[C@H]1c1ccc(F)cc1F ZINC000360027224 1127486845 /nfs/dbraw/zinc/48/68/45/1127486845.db2.gz GIBKXVHSWYLGBG-NHYWBVRUSA-N 0 1 269.335 3.527 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2occc21)c1c(C)nn(C)c1C ZINC000360055600 1127488178 /nfs/dbraw/zinc/48/81/78/1127488178.db2.gz PEMQLAUBEBPGFA-HUUCEWRRSA-N 0 1 287.407 3.748 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@H+]1CCOCC2(CC2)C1 ZINC000360100591 1127489886 /nfs/dbraw/zinc/48/98/86/1127489886.db2.gz YSGIFJZSLALRQW-LBPRGKRZSA-N 0 1 265.784 3.513 20 0 CHADMN C[C@@H](c1ccccc1Cl)N1CCOCC2(CC2)C1 ZINC000360100591 1127489887 /nfs/dbraw/zinc/48/98/87/1127489887.db2.gz YSGIFJZSLALRQW-LBPRGKRZSA-N 0 1 265.784 3.513 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1cccc(O)c1)[C@H]2C ZINC000543778873 1127499724 /nfs/dbraw/zinc/49/97/24/1127499724.db2.gz ARNYUXJBSJWIJI-KGLIPLIRSA-N 0 1 297.398 3.909 20 0 CHADMN CCOc1cccc(C(=O)Nc2cc3cn[nH]c3cc2C)c1 ZINC000360444813 1127499873 /nfs/dbraw/zinc/49/98/73/1127499873.db2.gz PKWXSXHCXDQCCP-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cn3cccnc3n2)CC12CCCCC2 ZINC000360599232 1127502920 /nfs/dbraw/zinc/50/29/20/1127502920.db2.gz SUYCNHAFLFDMNE-OAHLLOKOSA-N 0 1 298.434 3.522 20 0 CHADMN CCN(c1ccc(NCc2conc2C)cc1)C(C)C ZINC000293555143 1127505630 /nfs/dbraw/zinc/50/56/30/1127505630.db2.gz LPSRWUKSBCICGJ-UHFFFAOYSA-N 0 1 273.380 3.830 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)c1 ZINC000293587399 1127507804 /nfs/dbraw/zinc/50/78/04/1127507804.db2.gz GIUOFLHTSBEIOD-INIZCTEOSA-N 0 1 297.402 3.522 20 0 CHADMN Cc1nc(C(C)C)ccc1C[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000293649310 1127510443 /nfs/dbraw/zinc/51/04/43/1127510443.db2.gz SIVNDAQAHMWXIY-MRXNPFEDSA-N 0 1 276.424 3.513 20 0 CHADMN CCc1noc(C)c1CN[C@H]1CCCc2ccccc21 ZINC000293659622 1127511266 /nfs/dbraw/zinc/51/12/66/1127511266.db2.gz ILFZMPHTCOSQGE-KRWDZBQOSA-N 0 1 270.376 3.713 20 0 CHADMN CC(C)(C)[C@H]1CCCN1Cc1nnc(C2CC2)n1C1CC1 ZINC000360896566 1127518672 /nfs/dbraw/zinc/51/86/72/1127518672.db2.gz IMBGZZPRDDPJDN-CQSZACIVSA-N 0 1 288.439 3.501 20 0 CHADMN Cc1nnsc1CN[C@@H](c1ccc(C)cc1)C1CCC1 ZINC000293808040 1127522488 /nfs/dbraw/zinc/52/24/88/1127522488.db2.gz VLCNSMNULAZCJR-MRXNPFEDSA-N 0 1 287.432 3.786 20 0 CHADMN Cc1cc([C@H](C)NCc2cn(C)nc2C(F)F)c(C)s1 ZINC000360952630 1127523976 /nfs/dbraw/zinc/52/39/76/1127523976.db2.gz ACZDEHNEIJKGKQ-VIFPVBQESA-N 0 1 299.390 3.887 20 0 CHADMN CC[C@@]1(C)COCCN1Cc1c(C)oc2ccccc21 ZINC000361156834 1127543020 /nfs/dbraw/zinc/54/30/20/1127543020.db2.gz YUZICJQOPASMDY-KRWDZBQOSA-N 0 1 273.376 3.742 20 0 CHADMN COc1ccc(C[N@@H+](Cc2conc2C)C(C)(C)C)cc1 ZINC000294029757 1127543258 /nfs/dbraw/zinc/54/32/58/1127543258.db2.gz VOIGJZDENQMLBR-UHFFFAOYSA-N 0 1 288.391 3.792 20 0 CHADMN COc1ccc(CN(Cc2conc2C)C(C)(C)C)cc1 ZINC000294029757 1127543262 /nfs/dbraw/zinc/54/32/62/1127543262.db2.gz VOIGJZDENQMLBR-UHFFFAOYSA-N 0 1 288.391 3.792 20 0 CHADMN CC(C)N(Cc1cn(C)nc1C(F)F)Cc1ccccc1 ZINC000361177798 1127545017 /nfs/dbraw/zinc/54/50/17/1127545017.db2.gz LIPYGHSOUAQRGA-UHFFFAOYSA-N 0 1 293.361 3.768 20 0 CHADMN C[C@@H](NCc1cncs1)c1cccc(C2CC2)c1 ZINC000294088634 1127548213 /nfs/dbraw/zinc/54/82/13/1127548213.db2.gz IUJWUBMEHQHQRS-LLVKDONJSA-N 0 1 258.390 3.871 20 0 CHADMN COCc1cccc(CN2CC(c3ccccc3F)C2)c1 ZINC000361239533 1127549445 /nfs/dbraw/zinc/54/94/45/1127549445.db2.gz VLRBXWGSJMDPMG-UHFFFAOYSA-N 0 1 285.362 3.572 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1cncc(C(F)(F)F)c1 ZINC000361301184 1127554621 /nfs/dbraw/zinc/55/46/21/1127554621.db2.gz VFBHGYWZINKBAH-PHIMTYICSA-N 0 1 272.314 3.863 20 0 CHADMN C[C@H](NCc1cncc(C(F)(F)F)c1)c1cccc(O)c1 ZINC000361357213 1127559340 /nfs/dbraw/zinc/55/93/40/1127559340.db2.gz WJMDKOUXQUJCQQ-JTQLQIEISA-N 0 1 296.292 3.657 20 0 CHADMN c1ccc([C@H]2CCN2Cc2ccc3c(c2)CCO3)cc1 ZINC000361384250 1127560112 /nfs/dbraw/zinc/56/01/12/1127560112.db2.gz JLTHMXOKYULSHU-QGZVFWFLSA-N 0 1 265.356 3.569 20 0 CHADMN Fc1ccc2c(c1)CN([C@@H]1C[C@H]1c1ccccc1)CCO2 ZINC000361392936 1127560485 /nfs/dbraw/zinc/56/04/85/1127560485.db2.gz VFKCEQASYACLFB-DLBZAZTESA-N 0 1 283.346 3.576 20 0 CHADMN Cc1ccc(NCc2[nH]nc3ccccc32)cc1C ZINC000602276946 1127566203 /nfs/dbraw/zinc/56/62/03/1127566203.db2.gz VPUNUQXARMUMLL-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN CCN(CC(=O)c1c(C)[nH]c2ccccc21)CC1CCC1 ZINC000361480396 1127566440 /nfs/dbraw/zinc/56/64/40/1127566440.db2.gz CGLKCPFVTAUYMC-UHFFFAOYSA-N 0 1 284.403 3.781 20 0 CHADMN CCCc1nc(CN(CC)CC2CCC2)cs1 ZINC000361482017 1127566633 /nfs/dbraw/zinc/56/66/33/1127566633.db2.gz TVDMAPBYYJJZFF-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN Cc1noc([C@H](C)N[C@H]2CCC[C@@H]2CCC(C)C)n1 ZINC000361607083 1127576112 /nfs/dbraw/zinc/57/61/12/1127576112.db2.gz BMPKACMADPGFGN-YUTCNCBUSA-N 0 1 265.401 3.634 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cc2nncn2-c2ccccc2)C1 ZINC000361543064 1127571093 /nfs/dbraw/zinc/57/10/93/1127571093.db2.gz KAMFBDAALYWZBO-OAHLLOKOSA-N 0 1 298.434 3.525 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCCc3ccc(C)cc32)nn1C ZINC000294420535 1127572468 /nfs/dbraw/zinc/57/24/68/1127572468.db2.gz UHJOKZYTTZJJHG-RHSMWYFYSA-N 0 1 283.419 3.765 20 0 CHADMN CN(c1nc(CN(CC2CC2)C2CCC2)cs1)C1CC1 ZINC000361571947 1127573867 /nfs/dbraw/zinc/57/38/67/1127573867.db2.gz PHEYWBHIGRABLR-UHFFFAOYSA-N 0 1 291.464 3.506 20 0 CHADMN C[C@@H]1CCC[C@@H](N(C)Cc2csc(N(C)C3CC3)n2)C1 ZINC000361640768 1127578102 /nfs/dbraw/zinc/57/81/02/1127578102.db2.gz VPHMMMZRFCBCPC-IUODEOHRSA-N 0 1 293.480 3.752 20 0 CHADMN CSCC[C@H](C)[N@@H+](C)Cc1ccc(C(F)F)nc1 ZINC000602479277 1127584131 /nfs/dbraw/zinc/58/41/31/1127584131.db2.gz ZUNFZKGQCNSYKR-JTQLQIEISA-N 0 1 274.380 3.593 20 0 CHADMN Cc1ccc2c(c1)CCN([C@@H](C)c1ccccn1)C2 ZINC000361846999 1127593983 /nfs/dbraw/zinc/59/39/83/1127593983.db2.gz AGTHROUHSAFCTN-AWEZNQCLSA-N 0 1 252.361 3.509 20 0 CHADMN CCCCCN(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000361864797 1127595480 /nfs/dbraw/zinc/59/54/80/1127595480.db2.gz FNNIWHQGNHBTKV-UHFFFAOYSA-N 0 1 257.381 3.699 20 0 CHADMN CCO[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000602579176 1127596022 /nfs/dbraw/zinc/59/60/22/1127596022.db2.gz XTZNFUDPCZSUFS-WCQYABFASA-N 0 1 269.335 3.527 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccccc1)c1cc(F)cc(F)c1 ZINC000361893337 1127597131 /nfs/dbraw/zinc/59/71/31/1127597131.db2.gz QIUAUGCSUCGOAI-PXAZEXFGSA-N 0 1 291.341 3.739 20 0 CHADMN Cc1nocc1CN([C@H](C)c1ccccc1)C1CC1 ZINC000294820449 1127601673 /nfs/dbraw/zinc/60/16/73/1127601673.db2.gz GACWPWPGQYHVSL-CYBMUJFWSA-N 0 1 256.349 3.709 20 0 CHADMN Cc1nocc1CN([C@@H](C)c1ccccc1)C1CC1 ZINC000294820453 1127601744 /nfs/dbraw/zinc/60/17/44/1127601744.db2.gz GACWPWPGQYHVSL-ZDUSSCGKSA-N 0 1 256.349 3.709 20 0 CHADMN CSC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000602726288 1127609307 /nfs/dbraw/zinc/60/93/07/1127609307.db2.gz PVXREAPZOGVFGH-UHFFFAOYSA-N 0 1 288.416 3.669 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000294987895 1127612510 /nfs/dbraw/zinc/61/25/10/1127612510.db2.gz HHCLYJHTIAAUIO-CXAGYDPISA-N 0 1 299.418 3.774 20 0 CHADMN c1nnsc1CN[C@H](CC1CCC1)c1ccccc1 ZINC000294977202 1127611707 /nfs/dbraw/zinc/61/17/07/1127611707.db2.gz LOVXFZLLSUXCJA-OAHLLOKOSA-N 0 1 273.405 3.559 20 0 CHADMN Cc1cccc([C@@H](NCc2cnns2)C(C)(C)C)c1 ZINC000294988388 1127612896 /nfs/dbraw/zinc/61/28/96/1127612896.db2.gz MUCKEFYETQBOPF-CQSZACIVSA-N 0 1 275.421 3.724 20 0 CHADMN C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1Cc1cncc(F)c1 ZINC000295024060 1127614877 /nfs/dbraw/zinc/61/48/77/1127614877.db2.gz CLXYSFGIRIIAQX-HOSYDEDBSA-N 0 1 290.304 3.772 20 0 CHADMN c1cc(C[N@H+]2C[C@H]3CCCC[C@@]32c2ccccc2)on1 ZINC000362200810 1127618819 /nfs/dbraw/zinc/61/88/19/1127618819.db2.gz TZQFCKGCJNUSJK-NVXWUHKLSA-N 0 1 268.360 3.576 20 0 CHADMN c1cc(CN2C[C@H]3CCCC[C@@]32c2ccccc2)on1 ZINC000362200810 1127618821 /nfs/dbraw/zinc/61/88/21/1127618821.db2.gz TZQFCKGCJNUSJK-NVXWUHKLSA-N 0 1 268.360 3.576 20 0 CHADMN COc1cccc(CN2CCC(SC)CC2)c1Cl ZINC000602919033 1127621816 /nfs/dbraw/zinc/62/18/16/1127621816.db2.gz DYFQQHFURAKOSD-UHFFFAOYSA-N 0 1 285.840 3.676 20 0 CHADMN Cc1cc(Cl)ccc1CN[C@H](CO)c1ccc(F)cc1 ZINC000295120706 1127622075 /nfs/dbraw/zinc/62/20/75/1127622075.db2.gz NDZSCJVAJJQHQC-MRXNPFEDSA-N 0 1 293.769 3.611 20 0 CHADMN Cc1ccnc([C@H](C)N[C@@H]2C[C@@H](C)Oc3ccccc32)c1 ZINC000295133795 1127622896 /nfs/dbraw/zinc/62/28/96/1127622896.db2.gz YPBTWXIOALAXBW-JKIFEVAISA-N 0 1 282.387 3.953 20 0 CHADMN CC(C)(C)CC(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000362253723 1127623073 /nfs/dbraw/zinc/62/30/73/1127623073.db2.gz TXGBKFGQAVRSGZ-UHFFFAOYSA-N 0 1 298.346 3.593 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@@H]2COc3ccc(C)cc32)s1 ZINC000362292860 1127625530 /nfs/dbraw/zinc/62/55/30/1127625530.db2.gz FAVFOMGAOBZKCA-SMDDNHRTSA-N 0 1 288.416 3.853 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cc(F)ncc1F)C1CC1 ZINC000295198298 1127627075 /nfs/dbraw/zinc/62/70/75/1127627075.db2.gz OVBXHOQDVREBNX-KRWDZBQOSA-N 0 1 288.341 3.909 20 0 CHADMN CCCO[C@H]1CCC[N@H+](Cc2cccc([O-])c2Cl)CC1 ZINC000295217201 1127628334 /nfs/dbraw/zinc/62/83/34/1127628334.db2.gz BHHFYBQKCAHQCX-AWEZNQCLSA-N 0 1 297.826 3.827 20 0 CHADMN CCCO[C@H]1CCC[N@@H+](Cc2cccc([O-])c2Cl)CC1 ZINC000295217201 1127628337 /nfs/dbraw/zinc/62/83/37/1127628337.db2.gz BHHFYBQKCAHQCX-AWEZNQCLSA-N 0 1 297.826 3.827 20 0 CHADMN Cc1nocc1CN(Cc1ccco1)C1CCCC1 ZINC000295232253 1127629408 /nfs/dbraw/zinc/62/94/08/1127629408.db2.gz CYOPSGCWWZRJKX-UHFFFAOYSA-N 0 1 260.337 3.521 20 0 CHADMN Cc1nocc1CN1CCCCC[C@@H]1c1ccco1 ZINC000295243663 1127630149 /nfs/dbraw/zinc/63/01/49/1127630149.db2.gz FDWUMBYHGSAOMB-CQSZACIVSA-N 0 1 260.337 3.693 20 0 CHADMN CCCN(Cc1conc1C)Cc1ccc(F)cc1 ZINC000295252629 1127630223 /nfs/dbraw/zinc/63/02/23/1127630223.db2.gz GCBOEPNYACJOBF-UHFFFAOYSA-N 0 1 262.328 3.534 20 0 CHADMN Cc1nocc1CN(Cc1ccc(F)cc1)C(C)(C)C ZINC000295246548 1127630260 /nfs/dbraw/zinc/63/02/60/1127630260.db2.gz FOHFUIUDQZWRCW-UHFFFAOYSA-N 0 1 276.355 3.923 20 0 CHADMN CC(C)c1nc(CN[C@@H](C)c2cccc(C3CC3)c2)n[nH]1 ZINC000295278320 1127631645 /nfs/dbraw/zinc/63/16/45/1127631645.db2.gz CVXFJRODLOIWBA-LBPRGKRZSA-N 0 1 284.407 3.656 20 0 CHADMN CCN(Cc1conc1C)[C@H](C)c1cccc(OC)c1 ZINC000295293849 1127632942 /nfs/dbraw/zinc/63/29/42/1127632942.db2.gz JHGICCAPVNTXFQ-CYBMUJFWSA-N 0 1 274.364 3.575 20 0 CHADMN CCOc1ccc(CN(Cc2conc2C)C(C)C)cc1 ZINC000295295928 1127633007 /nfs/dbraw/zinc/63/30/07/1127633007.db2.gz JNOMEONRFFFFCO-UHFFFAOYSA-N 0 1 288.391 3.792 20 0 CHADMN Cc1scnc1CN1CCC[C@@H]1c1ccccc1 ZINC001232204253 1127635093 /nfs/dbraw/zinc/63/50/93/1127635093.db2.gz YDWPJUNNDKOKQD-OAHLLOKOSA-N 0 1 258.390 3.789 20 0 CHADMN CCCc1nc(CN2C[C@H](C)CC[C@H]2C)cs1 ZINC000362439323 1127635670 /nfs/dbraw/zinc/63/56/70/1127635670.db2.gz ODBAEXZYIAULJQ-VXGBXAGGSA-N 0 1 252.427 3.716 20 0 CHADMN COc1cc(C)ccc1CNCc1ccc(C(C)(C)O)cc1 ZINC000295384879 1127639716 /nfs/dbraw/zinc/63/97/16/1127639716.db2.gz KUGYTWDYYKDQKZ-UHFFFAOYSA-N 0 1 299.414 3.521 20 0 CHADMN Fc1cc(Cl)cc(CN2CCC[C@]3(CCCOC3)C2)c1 ZINC000362505590 1127640592 /nfs/dbraw/zinc/64/05/92/1127640592.db2.gz NFASUDCCHHYCDR-INIZCTEOSA-N 0 1 297.801 3.872 20 0 CHADMN Fc1cc(Cl)cc(CN2CCC(c3c[nH]cn3)CC2)c1 ZINC000362523450 1127642386 /nfs/dbraw/zinc/64/23/86/1127642386.db2.gz DWGPBETZJHFBMX-UHFFFAOYSA-N 0 1 293.773 3.582 20 0 CHADMN CC(C)CN(Cc1cnc(Br)s1)C1CC1 ZINC000295553519 1127646220 /nfs/dbraw/zinc/64/62/20/1127646220.db2.gz POKPATAFGRBKFZ-UHFFFAOYSA-N 0 1 289.242 3.526 20 0 CHADMN COc1cccc(CNCc2cc3ccccc3[nH]2)c1F ZINC000669680927 1127649996 /nfs/dbraw/zinc/64/99/96/1127649996.db2.gz QSLJMKCQTPNQAP-UHFFFAOYSA-N 0 1 284.334 3.605 20 0 CHADMN CCC(F)(F)CN[C@@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000598996412 1127650449 /nfs/dbraw/zinc/65/04/49/1127650449.db2.gz IYOXCDWPEURHCN-CHWSQXEVSA-N 0 1 291.382 3.523 20 0 CHADMN COc1ccc([C@H](N[C@H]2C[C@H](C)n3ccnc32)C2CC2)cc1 ZINC000295809480 1127653595 /nfs/dbraw/zinc/65/35/95/1127653595.db2.gz CPRXKGAUSQRBJQ-AFAVFJNCSA-N 0 1 297.402 3.638 20 0 CHADMN COc1ncccc1CN(C)CCCCc1ccccc1 ZINC000362967079 1127655889 /nfs/dbraw/zinc/65/58/89/1127655889.db2.gz OSFHMCKFJRNESC-UHFFFAOYSA-N 0 1 284.403 3.545 20 0 CHADMN COc1cccc2c1OCC[C@H]2NCc1ccccc1C ZINC000603518938 1127656651 /nfs/dbraw/zinc/65/66/51/1127656651.db2.gz RDSNXHJSINTGDN-MRXNPFEDSA-N 0 1 283.371 3.617 20 0 CHADMN CCn1nc(C)c(CNc2ccc3cnccc3c2)c1C ZINC000295877382 1127656726 /nfs/dbraw/zinc/65/67/26/1127656726.db2.gz ANFVJROOTIOYHZ-UHFFFAOYSA-N 0 1 280.375 3.680 20 0 CHADMN C[C@](O)(CN1CC2(CCC2)[C@@H]1c1ccccc1)C(F)(F)F ZINC000295915054 1127657061 /nfs/dbraw/zinc/65/70/61/1127657061.db2.gz HEKQFVGISDIEFM-KBPBESRZSA-N 0 1 299.336 3.527 20 0 CHADMN CC1(C)CC[C@@H](NCc2n[nH]c(C3CC3)n2)c2ccccc21 ZINC000296293152 1127667868 /nfs/dbraw/zinc/66/78/68/1127667868.db2.gz FNJKICPKPPNHEV-OAHLLOKOSA-N 0 1 296.418 3.584 20 0 CHADMN CC(C)c1nnc(CN[C@H]2C[C@H](c3ccccc3)C2(C)C)[nH]1 ZINC000296564288 1127676036 /nfs/dbraw/zinc/67/60/36/1127676036.db2.gz SKMNGYZBCASRBE-CABCVRRESA-N 0 1 298.434 3.600 20 0 CHADMN Cc1cnccc1CNCc1ccccc1OCC(C)C ZINC000296560017 1127676197 /nfs/dbraw/zinc/67/61/97/1127676197.db2.gz VETLIYHGKXWJCH-UHFFFAOYSA-N 0 1 284.403 3.715 20 0 CHADMN Cc1cnccc1CN[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000296589087 1127676986 /nfs/dbraw/zinc/67/69/86/1127676986.db2.gz XIYZJEMWGOPHSA-QGZVFWFLSA-N 0 1 294.402 3.753 20 0 CHADMN CCN(Cc1cccs1)Cc1cccc(C(C)=O)c1 ZINC000296616891 1127678585 /nfs/dbraw/zinc/67/85/85/1127678585.db2.gz UMNQGTHSFMNYLE-UHFFFAOYSA-N 0 1 273.401 3.973 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccsc1 ZINC000296717210 1127681788 /nfs/dbraw/zinc/68/17/88/1127681788.db2.gz IMDDAMANHIGLRJ-OLZOCXBDSA-N 0 1 261.394 3.590 20 0 CHADMN C[C@@H]1CC[C@@H](N[C@@H]2CCn3ccnc32)c2ccccc21 ZINC000296719762 1127682320 /nfs/dbraw/zinc/68/23/20/1127682320.db2.gz IOGHWWYKZXULBI-DAXOMENPSA-N 0 1 267.376 3.556 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ccc(Br)nc1C ZINC001232323750 1127682980 /nfs/dbraw/zinc/68/29/80/1127682980.db2.gz JRRMFEJESGETKN-CYBMUJFWSA-N 0 1 297.240 3.917 20 0 CHADMN COc1cccc2c1CN(CCCSCC(C)C)C2 ZINC000599642109 1127684962 /nfs/dbraw/zinc/68/49/62/1127684962.db2.gz CVWJYVUIVAUMJF-UHFFFAOYSA-N 0 1 279.449 3.790 20 0 CHADMN C[C@H]1C[C@@H](N2CCC(Cc3ccccc3)CC2)c2nccn21 ZINC000296865685 1127685041 /nfs/dbraw/zinc/68/50/41/1127685041.db2.gz NSNQLERIMLACNK-MAUKXSAKSA-N 0 1 295.430 3.844 20 0 CHADMN CCN(CC)Cc1ccc(F)c(F)c1OC(C)C ZINC001238745295 1131240250 /nfs/dbraw/zinc/24/02/50/1131240250.db2.gz WVZDIDUKPNRIDH-UHFFFAOYSA-N 0 1 257.324 3.594 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000296939438 1127686479 /nfs/dbraw/zinc/68/64/79/1127686479.db2.gz QIDIIZJSQGDTED-XJKSGUPXSA-N 0 1 283.419 3.976 20 0 CHADMN COC(=O)[C@@H]1C[C@@H](C)N(Cc2ccccc2Cl)[C@@H](C)C1 ZINC000599687972 1127687803 /nfs/dbraw/zinc/68/78/03/1127687803.db2.gz AMDGYUJWYQJQIW-DABQJJPHSA-N 0 1 295.810 3.502 20 0 CHADMN COc1cccc(C[N@@H+](C)[C@H]2CCc3ccccc32)c1F ZINC000669707205 1127689394 /nfs/dbraw/zinc/68/93/94/1127689394.db2.gz MUBXWBOFXGPPED-INIZCTEOSA-N 0 1 285.362 3.954 20 0 CHADMN COc1cccc(CN(C)[C@H]2CCc3ccccc32)c1F ZINC000669707205 1127689397 /nfs/dbraw/zinc/68/93/97/1127689397.db2.gz MUBXWBOFXGPPED-INIZCTEOSA-N 0 1 285.362 3.954 20 0 CHADMN CC(C)CCc1noc(C[N@H+]2CCC[C@H](C(C)C)CC2)n1 ZINC000604055254 1127691566 /nfs/dbraw/zinc/69/15/66/1127691566.db2.gz XKSHISUBJYMSID-HNNXBMFYSA-N 0 1 293.455 3.916 20 0 CHADMN CC(C)CCc1noc(CN2CCC[C@H](C(C)C)CC2)n1 ZINC000604055254 1127691567 /nfs/dbraw/zinc/69/15/67/1127691567.db2.gz XKSHISUBJYMSID-HNNXBMFYSA-N 0 1 293.455 3.916 20 0 CHADMN CC(C)Cc1noc(C[N@H+]2CCC[C@H](C(C)C)CC2)n1 ZINC000604055225 1127691979 /nfs/dbraw/zinc/69/19/79/1127691979.db2.gz VXQXSNHIZJZICP-AWEZNQCLSA-N 0 1 279.428 3.526 20 0 CHADMN CC(C)Cc1noc(CN2CCC[C@H](C(C)C)CC2)n1 ZINC000604055225 1127691981 /nfs/dbraw/zinc/69/19/81/1127691981.db2.gz VXQXSNHIZJZICP-AWEZNQCLSA-N 0 1 279.428 3.526 20 0 CHADMN C[C@@H](N[C@@H]1CCc2nc(Cl)ccc21)c1ccns1 ZINC001118865863 1131240371 /nfs/dbraw/zinc/24/03/71/1131240371.db2.gz SKIYKXMUJCUERE-PSASIEDQSA-N 0 1 279.796 3.530 20 0 CHADMN FC1(F)CC(C[N@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC000297352517 1127694076 /nfs/dbraw/zinc/69/40/76/1127694076.db2.gz BOIRAFVFJVKMBL-AWEZNQCLSA-N 0 1 283.387 3.822 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2C[C@H](C)n3ccnc32)cc1C ZINC000297619559 1127701424 /nfs/dbraw/zinc/70/14/24/1127701424.db2.gz IUQGMBQWMCQZPU-OFQRWUPVSA-N 0 1 269.392 3.857 20 0 CHADMN CN1CCC[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(C)(C)C ZINC000604371759 1127702128 /nfs/dbraw/zinc/70/21/28/1127702128.db2.gz JUVDAKWODFJXFT-HOTGVXAUSA-N 0 1 294.483 3.582 20 0 CHADMN Fc1ccc([C@@H](N[C@@H]2CCn3ccnc32)C2CCC2)cc1 ZINC000297625559 1127702270 /nfs/dbraw/zinc/70/22/70/1127702270.db2.gz JBLPVGDRTDVFDW-CVEARBPZSA-N 0 1 285.366 3.598 20 0 CHADMN Cc1nnc([C@H](C)NC2CC(C)(c3ccccc3)C2)s1 ZINC000297645976 1127703452 /nfs/dbraw/zinc/70/34/52/1127703452.db2.gz MYIULUPLCOIFOJ-WJFWJRBTSA-N 0 1 287.432 3.617 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H]1C[C@H](C)n2ccnc21)C1CC1 ZINC000297682990 1127704336 /nfs/dbraw/zinc/70/43/36/1127704336.db2.gz LQHABHIBQQEQHS-IAOVAPTHSA-N 0 1 281.403 3.938 20 0 CHADMN CCCN(Cc1ccc(F)cc1)[C@@H](C)c1cnccn1 ZINC000297726231 1127705796 /nfs/dbraw/zinc/70/57/96/1127705796.db2.gz BTMIIJLNPXCTBH-ZDUSSCGKSA-N 0 1 273.355 3.589 20 0 CHADMN CCCC[C@@H](N[C@H]1CCn2ccnc21)c1ccc(OC)cc1 ZINC000297791418 1127708125 /nfs/dbraw/zinc/70/81/25/1127708125.db2.gz PYTHQYARGJGUAA-SJORKVTESA-N 0 1 299.418 3.858 20 0 CHADMN Cc1cccc(NC(=O)[C@@H](C)N2CCC3(CC3)CC2)c1C ZINC000364631328 1127708170 /nfs/dbraw/zinc/70/81/70/1127708170.db2.gz OCEURJBOVGAASQ-OAHLLOKOSA-N 0 1 286.419 3.506 20 0 CHADMN Cc1ncc(CN[C@H]2CCCc3nc(Cl)ccc32)s1 ZINC000297826221 1127709393 /nfs/dbraw/zinc/70/93/93/1127709393.db2.gz RPYVQARHIFAJAH-LBPRGKRZSA-N 0 1 293.823 3.667 20 0 CHADMN CC[C@H](C)Oc1cc(C)ccc1CN[C@H](C)c1cn[nH]c1 ZINC000297826129 1127709611 /nfs/dbraw/zinc/70/96/11/1127709611.db2.gz RONAWIHCDABLJQ-UONOGXRCSA-N 0 1 287.407 3.746 20 0 CHADMN Nc1cc(CN2CCC[C@@H]2c2ccc(Cl)cc2)ccn1 ZINC000297957583 1127712399 /nfs/dbraw/zinc/71/23/99/1127712399.db2.gz UDUPHIRYGYJELH-OAHLLOKOSA-N 0 1 287.794 3.654 20 0 CHADMN CCc1csc(CN2C3CCCC2CCC3)n1 ZINC001232474002 1127714494 /nfs/dbraw/zinc/71/44/94/1127714494.db2.gz MDGVYBVWJKBYJK-UHFFFAOYSA-N 0 1 250.411 3.613 20 0 CHADMN C[C@@H]1CCC[C@H](Sc2nc(C(C)(C)C)n[nH]2)C1 ZINC000605077044 1127728144 /nfs/dbraw/zinc/72/81/44/1127728144.db2.gz WONZBXYHMCSXIR-ZJUUUORDSA-N 0 1 253.415 3.773 20 0 CHADMN C[C@@H]1CCC[C@H](Sc2n[nH]c(C(C)(C)C)n2)C1 ZINC000605077044 1127728148 /nfs/dbraw/zinc/72/81/48/1127728148.db2.gz WONZBXYHMCSXIR-ZJUUUORDSA-N 0 1 253.415 3.773 20 0 CHADMN Cc1cc(C(=O)N2CCCCC[C@@H]2c2cccc(C)c2)n[nH]1 ZINC000605144461 1127730401 /nfs/dbraw/zinc/73/04/01/1127730401.db2.gz KMSPUZRIJRQUPP-QGZVFWFLSA-N 0 1 297.402 3.784 20 0 CHADMN CC(C)[C@H](c1ccccc1)N(C)Cn1cccnc1=S ZINC000172006074 1127738129 /nfs/dbraw/zinc/73/81/29/1127738129.db2.gz VHGZUURFTJMGNP-OAHLLOKOSA-N 0 1 287.432 3.899 20 0 CHADMN C[C@H](NC(=O)C=CC1CCCCC1)c1nc2ccccc2[nH]1 ZINC000172038229 1127744807 /nfs/dbraw/zinc/74/48/07/1127744807.db2.gz VARYPGCVZANORK-YLSINNKHSA-N 0 1 297.402 3.877 20 0 CHADMN CCc1ccc(CN(C)Cc2cccc(CF)n2)cc1 ZINC001232537356 1127750172 /nfs/dbraw/zinc/75/01/72/1127750172.db2.gz FIKMWGWIUJEOEQ-UHFFFAOYSA-N 0 1 272.367 3.746 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1Cc1nc2ccccc2c(=O)[nH]1 ZINC000606433984 1127762183 /nfs/dbraw/zinc/76/21/83/1127762183.db2.gz FPFUEUWUTDHAOY-XJKSGUPXSA-N 0 1 299.418 3.736 20 0 CHADMN CCN(Cc1nnc(-c2cccc(Cl)c2)o1)C1CCC1 ZINC000606434741 1127762727 /nfs/dbraw/zinc/76/27/27/1127762727.db2.gz UUQROIGVUDTMBF-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN CCN(Cc1nc(-c2cccc(Cl)c2)no1)C1CCC1 ZINC000606434524 1127763411 /nfs/dbraw/zinc/76/34/11/1127763411.db2.gz MKXGUGNQCLEQNI-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN CCN(Cc1nnc(-c2ccccc2Cl)o1)C1CCC1 ZINC000606434885 1127763425 /nfs/dbraw/zinc/76/34/25/1127763425.db2.gz MINTZUIRGGAQJX-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN COc1cccc(CN2CCc3cc(F)ccc3[C@H]2C)c1 ZINC000606540632 1127766185 /nfs/dbraw/zinc/76/61/85/1127766185.db2.gz YSIANISEUPAYKL-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN Fc1ccc([C@@H]2CCCCN2CC2=CCCOC2)c(F)c1 ZINC000371465337 1127766612 /nfs/dbraw/zinc/76/66/12/1127766612.db2.gz CCPFQPLZUSFNQY-KRWDZBQOSA-N 0 1 293.357 3.839 20 0 CHADMN C([C@H]1CCC2(CCCCC2)O1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000409446851 1127768281 /nfs/dbraw/zinc/76/82/81/1127768281.db2.gz RABZJWUUBGZPEE-IKGGRYGDSA-N 0 1 293.451 3.512 20 0 CHADMN CC(C)(C)c1noc(CN2CCC[C@@H]3CCCC[C@H]32)n1 ZINC000409446291 1127768832 /nfs/dbraw/zinc/76/88/32/1127768832.db2.gz UANLNRUTVKRCRY-QWHCGFSZSA-N 0 1 277.412 3.522 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1Cc1csc(C2CC2)n1 ZINC000409444833 1127769676 /nfs/dbraw/zinc/76/96/76/1127769676.db2.gz ODXPPKAKUHTNRQ-GXFFZTMASA-N 0 1 250.411 3.641 20 0 CHADMN CC(C)(C)c1cnc(CN2C[C@H]3CCCC[C@@H]3C2)o1 ZINC000409445761 1127769837 /nfs/dbraw/zinc/76/98/37/1127769837.db2.gz ZNXYGQAGZRVXKF-CHWSQXEVSA-N 0 1 262.397 3.594 20 0 CHADMN C/C(=C/c1ccccc1)CNCc1cn2ccsc2n1 ZINC000409478745 1127771458 /nfs/dbraw/zinc/77/14/58/1127771458.db2.gz SVXJVXVEACRAFQ-LCYFTJDESA-N 0 1 283.400 3.589 20 0 CHADMN Cc1ccc2oc(CNCc3ccc(O)cc3)cc2c1 ZINC000606911942 1127781838 /nfs/dbraw/zinc/78/18/38/1127781838.db2.gz ORELHFLBWKBQEN-UHFFFAOYSA-N 0 1 267.328 3.737 20 0 CHADMN CC(C)CN(C(=O)c1cc(C2CCCCC2)[nH]n1)C(C)C ZINC000533959681 1127784956 /nfs/dbraw/zinc/78/49/56/1127784956.db2.gz NMEATAYISLSVRD-UHFFFAOYSA-N 0 1 291.439 3.964 20 0 CHADMN CCC1(CC)CCN(Cc2c(C)nn(C)c2Cl)CC1 ZINC000062953764 1127785518 /nfs/dbraw/zinc/78/55/18/1127785518.db2.gz GGXQTVDSKGXTHO-UHFFFAOYSA-N 0 1 283.847 3.784 20 0 CHADMN FC(F)SCc1ccc(CNCCC(F)(F)F)o1 ZINC000063099493 1127795302 /nfs/dbraw/zinc/79/53/02/1127795302.db2.gz ZJYKZWZBJCUBNH-UHFFFAOYSA-N 0 1 289.269 3.777 20 0 CHADMN CCOc1nnc(CN2CCCCC[C@@H]2CC(C)C)s1 ZINC000607156925 1127796545 /nfs/dbraw/zinc/79/65/45/1127796545.db2.gz HXTWSDQYTXKWTK-CYBMUJFWSA-N 0 1 297.468 3.728 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000372459680 1127799984 /nfs/dbraw/zinc/79/99/84/1127799984.db2.gz HVNPRDCBAXYQMI-BBRMVZONSA-N 0 1 289.810 3.935 20 0 CHADMN CCc1ccc(NC(=O)CN2C[C@@H](C)CC(C)(C)C2)cc1 ZINC001168422811 1127802175 /nfs/dbraw/zinc/80/21/75/1127802175.db2.gz BBRVCPWFUZDUIW-AWEZNQCLSA-N 0 1 288.435 3.556 20 0 CHADMN CC(C)N(Cc1ccccc1)Cc1cnc(Cl)cn1 ZINC000231275747 1127809290 /nfs/dbraw/zinc/80/92/90/1127809290.db2.gz QUUIVKSVOWBNAF-UHFFFAOYSA-N 0 1 275.783 3.541 20 0 CHADMN C[C@@H]1CN(CC(=O)Nc2cccc(Cl)c2)CC(C)(C)C1 ZINC001168423064 1127810155 /nfs/dbraw/zinc/81/01/55/1127810155.db2.gz DCHSFHWIYJZOJR-LBPRGKRZSA-N 0 1 294.826 3.647 20 0 CHADMN S=c1[nH]ccn1C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000173313327 1127818885 /nfs/dbraw/zinc/81/88/85/1127818885.db2.gz WNFFMOYRUDSDMN-OAHLLOKOSA-N 0 1 285.416 3.655 20 0 CHADMN S=c1[nH]ccn1CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000173313327 1127818889 /nfs/dbraw/zinc/81/88/89/1127818889.db2.gz WNFFMOYRUDSDMN-OAHLLOKOSA-N 0 1 285.416 3.655 20 0 CHADMN Cc1c(Cl)cccc1-n1[nH]c(C(C)C)cc1=O ZINC001245916972 1131241182 /nfs/dbraw/zinc/24/11/82/1131241182.db2.gz BNDWFPUVNNNGJC-UHFFFAOYSA-N 0 1 250.729 3.663 20 0 CHADMN Cc1cc(F)ccc1CN[C@@H]1CCOc2c(F)cccc21 ZINC000372903210 1127817828 /nfs/dbraw/zinc/81/78/28/1127817828.db2.gz OIVWAWOWARTOMA-MRXNPFEDSA-N 0 1 289.325 3.887 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CN(C)Cc3ccccc32)c(C)o1 ZINC000373054562 1127821309 /nfs/dbraw/zinc/82/13/09/1127821309.db2.gz HWBJGGAYJQMBGO-SCLBCKFNSA-N 0 1 284.403 3.734 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000607735551 1127821554 /nfs/dbraw/zinc/82/15/54/1127821554.db2.gz MFOFFTVRBGQHQZ-NEPJUHHUSA-N 0 1 274.339 3.711 20 0 CHADMN CCc1ccc(-c2noc(CN3CCC[C@@H](C)[C@@H]3C)n2)cc1 ZINC000607740744 1127822558 /nfs/dbraw/zinc/82/25/58/1127822558.db2.gz RHASNRVOJYUFSJ-KGLIPLIRSA-N 0 1 299.418 3.919 20 0 CHADMN Cc1nc(C)c(CN(Cc2ccccn2)C(C)C)s1 ZINC000607727231 1127826944 /nfs/dbraw/zinc/82/69/44/1127826944.db2.gz QLZKIOPARBBKEX-UHFFFAOYSA-N 0 1 275.421 3.566 20 0 CHADMN CN(CCc1cccs1)Cn1cc(-c2ccccc2)cn1 ZINC000173403955 1127828277 /nfs/dbraw/zinc/82/82/77/1127828277.db2.gz JJPDHAFOADCRMK-UHFFFAOYSA-N 0 1 297.427 3.744 20 0 CHADMN Clc1ccsc1CN1CCC(OCC2CC2)CC1 ZINC000373256773 1127831056 /nfs/dbraw/zinc/83/10/56/1127831056.db2.gz BMAYAIMWMNZOBU-UHFFFAOYSA-N 0 1 285.840 3.793 20 0 CHADMN Fc1cccc([C@@H]2C[C@H]2N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000411123754 1127841260 /nfs/dbraw/zinc/84/12/60/1127841260.db2.gz DXLUMDPUFBIHJU-KWCYVHTRSA-N 0 1 287.300 3.956 20 0 CHADMN Clc1ccc(CNC2(c3ccccc3)CCOCC2)o1 ZINC000608060247 1127842579 /nfs/dbraw/zinc/84/25/79/1127842579.db2.gz ZZIVJLZULDISQH-UHFFFAOYSA-N 0 1 291.778 3.729 20 0 CHADMN COc1cc(C)c(C)cc1CN(C)Cc1ccccc1 ZINC001238757110 1131241368 /nfs/dbraw/zinc/24/13/68/1131241368.db2.gz BBGNFQXCUUYLIO-UHFFFAOYSA-N 0 1 269.388 3.944 20 0 CHADMN CC(C)N(C)CC(=O)N(C)c1ccc(-c2ccccc2)cc1 ZINC000608163189 1127850447 /nfs/dbraw/zinc/85/04/47/1127850447.db2.gz IMOPAMHAXKDHOX-UHFFFAOYSA-N 0 1 296.414 3.657 20 0 CHADMN C[C@H](O)CCNC1(c2c(Cl)cccc2Cl)CCC1 ZINC000411648561 1127868121 /nfs/dbraw/zinc/86/81/21/1127868121.db2.gz PVCJRGVNWVWUIQ-JTQLQIEISA-N 0 1 288.218 3.733 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1C2CCCC1CCC2 ZINC000608471396 1127869050 /nfs/dbraw/zinc/86/90/50/1127869050.db2.gz GUNWUAYQAYCACQ-UHFFFAOYSA-N 0 1 279.767 3.593 20 0 CHADMN CC(C)[N@@H+](Cc1ccco1)Cc1cccc(N(C)C)c1 ZINC000608493494 1127869906 /nfs/dbraw/zinc/86/99/06/1127869906.db2.gz BHTODFUIDLYIMP-UHFFFAOYSA-N 0 1 272.392 3.756 20 0 CHADMN c1ccc(-c2noc(CN3C4CCCC3CCC4)n2)cc1 ZINC000608499542 1127871518 /nfs/dbraw/zinc/87/15/18/1127871518.db2.gz OLDOXMUYDUHPMV-UHFFFAOYSA-N 0 1 283.375 3.644 20 0 CHADMN COc1ccc(F)cc1CN1C2CCCC1CCC2 ZINC000608498944 1127872219 /nfs/dbraw/zinc/87/22/19/1127872219.db2.gz LMXSFVYCNSFCNB-UHFFFAOYSA-N 0 1 263.356 3.741 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000608511084 1127873799 /nfs/dbraw/zinc/87/37/99/1127873799.db2.gz DWYBSXLPBTUFLS-KGLIPLIRSA-N 0 1 287.382 3.632 20 0 CHADMN Fc1ccc(F)c(CN2CCSC3(CCC3)CC2)c1 ZINC000411868875 1127876319 /nfs/dbraw/zinc/87/63/19/1127876319.db2.gz LJKKOTKTPUQHDO-UHFFFAOYSA-N 0 1 283.387 3.826 20 0 CHADMN Cc1cnc(CN2CC[C@H](c3ccccc3)C[C@H]2C)o1 ZINC000374174630 1127876358 /nfs/dbraw/zinc/87/63/58/1127876358.db2.gz JJMRTLFBPAQLEP-CJNGLKHVSA-N 0 1 270.376 3.751 20 0 CHADMN Brc1cncc(CN2C3CCCC2CCC3)c1 ZINC000608564845 1127877219 /nfs/dbraw/zinc/87/72/19/1127877219.db2.gz DTNJJYKIZGYNGE-UHFFFAOYSA-N 0 1 295.224 3.751 20 0 CHADMN CCC(CC)n1ccc(CN[C@H](C)[C@](C)(OC)C2CC2)n1 ZINC000411968508 1127883677 /nfs/dbraw/zinc/88/36/77/1127883677.db2.gz JWNSJVQLCPJEME-DYVFJYSZSA-N 0 1 293.455 3.537 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)N2C3CCC2CC3)n1 ZINC000608745359 1127884969 /nfs/dbraw/zinc/88/49/69/1127884969.db2.gz JHZKXCGNFUEEAE-IYXRBSQSSA-N 0 1 283.375 3.733 20 0 CHADMN Cc1ccccc1[C@]1(F)CC[N@@H+](CCc2ccccn2)C1 ZINC000374294384 1127886142 /nfs/dbraw/zinc/88/61/42/1127886142.db2.gz RSAVNWQQKUBBKE-SFHVURJKSA-N 0 1 284.378 3.503 20 0 CHADMN Cc1ccccc1[C@]1(F)CCN(CCc2ccccn2)C1 ZINC000374294384 1127886145 /nfs/dbraw/zinc/88/61/45/1127886145.db2.gz RSAVNWQQKUBBKE-SFHVURJKSA-N 0 1 284.378 3.503 20 0 CHADMN Cc1noc(CN(C)[C@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000411999249 1127886449 /nfs/dbraw/zinc/88/64/49/1127886449.db2.gz QKPUIMUAINRZQO-HOTGVXAUSA-N 0 1 285.391 3.536 20 0 CHADMN COC1([C@H](C)NCc2csc(CCC(C)C)n2)CCC1 ZINC000412027768 1127891547 /nfs/dbraw/zinc/89/15/47/1127891547.db2.gz WIVYMPYPBVPMRV-ZDUSSCGKSA-N 0 1 296.480 3.779 20 0 CHADMN Cc1nnc(CN2CC[C@@H](CC(C)(C)C)C2(C)C)s1 ZINC000412039094 1127893602 /nfs/dbraw/zinc/89/36/02/1127893602.db2.gz PGNWHYPZZGBAPV-LBPRGKRZSA-N 0 1 281.469 3.883 20 0 CHADMN CCCOc1ccc(F)cc1Nc1nnc(C(C)C)o1 ZINC001212195395 1127893937 /nfs/dbraw/zinc/89/39/37/1127893937.db2.gz OAPVSYAZLSJSPP-UHFFFAOYSA-N 0 1 279.315 3.865 20 0 CHADMN CCCC(CCC)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000509702040 1127904877 /nfs/dbraw/zinc/90/48/77/1127904877.db2.gz YYFDGRCMHLPQPA-OAHLLOKOSA-N 0 1 296.480 3.683 20 0 CHADMN C[C@@H](c1cccnc1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000374639669 1127907400 /nfs/dbraw/zinc/90/74/00/1127907400.db2.gz VFTFPTJCCPSRRE-YOEHRIQHSA-N 0 1 270.351 3.713 20 0 CHADMN FC(F)(F)c1sccc1CNC1CC(F)(F)C1 ZINC000623507314 1127913202 /nfs/dbraw/zinc/91/32/02/1127913202.db2.gz DCKGJHHWSSWKPT-UHFFFAOYSA-N 0 1 271.254 3.654 20 0 CHADMN Cc1ccccc1CN(C)Cc1cn(C)nc1C(C)(C)C ZINC000539407901 1127921596 /nfs/dbraw/zinc/92/15/96/1127921596.db2.gz ALJZKYLEDKWBSJ-UHFFFAOYSA-N 0 1 285.435 3.658 20 0 CHADMN Cc1cc(Cl)nc(CNCc2cccc(C)c2C)c1 ZINC000282094230 1127922138 /nfs/dbraw/zinc/92/21/38/1127922138.db2.gz SADSHDIKIVSBIT-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN Cc1cccc2ncc(CN[C@H](C)c3ccsc3)n21 ZINC000669830858 1127930104 /nfs/dbraw/zinc/93/01/04/1127930104.db2.gz SCVBTAJQJYOWAD-GFCCVEGCSA-N 0 1 271.389 3.555 20 0 CHADMN COc1cc2c(cc1F)CN(Cc1ccccc1C)CC2 ZINC000539669928 1127935918 /nfs/dbraw/zinc/93/59/18/1127935918.db2.gz AKZLMPXOWWTYJX-UHFFFAOYSA-N 0 1 285.362 3.701 20 0 CHADMN Cc1nc([C@H](C)Sc2nc3cc(Cl)ccc3o2)n[nH]1 ZINC000412975210 1127934300 /nfs/dbraw/zinc/93/43/00/1127934300.db2.gz FLYVVXYYXQNYGQ-LURJTMIESA-N 0 1 294.767 3.761 20 0 CHADMN CCN(Cc1ncc(Cl)cc1Cl)CC(C)C ZINC000539723488 1127936278 /nfs/dbraw/zinc/93/62/78/1127936278.db2.gz CQPDCJCZEASCSK-UHFFFAOYSA-N 0 1 261.196 3.866 20 0 CHADMN Cc1nc([C@@H](C)Sc2ncc(C(C)C)n2C(C)C)n[nH]1 ZINC000412995160 1127936328 /nfs/dbraw/zinc/93/63/28/1127936328.db2.gz QJUDAIBFKFPMTP-SNVBAGLBSA-N 0 1 293.440 3.867 20 0 CHADMN C[C@@H](C(=O)Nc1cccc2c1CN(C1CC1)C2)C(C)(C)C ZINC000375241038 1127936354 /nfs/dbraw/zinc/93/63/54/1127936354.db2.gz YTHHXSVIWBHEKJ-LBPRGKRZSA-N 0 1 286.419 3.785 20 0 CHADMN Cc1nc([C@@H](C)SCc2ccc(C)c(C)c2)n[nH]1 ZINC000413003776 1127938694 /nfs/dbraw/zinc/93/86/94/1127938694.db2.gz XWIGADPVYKKGAR-LLVKDONJSA-N 0 1 261.394 3.724 20 0 CHADMN Cc1nc(SCCC2(O)CCC2)[nH]c1-c1ccccc1 ZINC000413005140 1127938970 /nfs/dbraw/zinc/93/89/70/1127938970.db2.gz LXOAMMBLGUBQHA-UHFFFAOYSA-N 0 1 288.416 3.782 20 0 CHADMN C[C@H]1CCC[C@H](C)N(Cc2ccc(Br)cn2)C1 ZINC000539824502 1127940711 /nfs/dbraw/zinc/94/07/11/1127940711.db2.gz AJNAQXYVDAQYIT-RYUDHWBXSA-N 0 1 297.240 3.855 20 0 CHADMN Fc1cc(F)c(CN2C[C@@H]3CCCC[C@H]3C2)cc1F ZINC000539829759 1127945139 /nfs/dbraw/zinc/94/51/39/1127945139.db2.gz VQSXBWSYKNFDDC-QWRGUYRKSA-N 0 1 269.310 3.726 20 0 CHADMN Cc1ccc([C@@H]2COCCN2CC2CCCCC2)o1 ZINC000539835275 1127946631 /nfs/dbraw/zinc/94/66/31/1127946631.db2.gz XXYRLXBJVUYFEH-HNNXBMFYSA-N 0 1 263.381 3.542 20 0 CHADMN CC(C)C(C)(C)C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000375554146 1127947402 /nfs/dbraw/zinc/94/74/02/1127947402.db2.gz YOFXDNUKLKMHBA-UHFFFAOYSA-N 0 1 286.419 3.785 20 0 CHADMN COc1cc(F)c(CN2CC[C@H](C)C[C@@H]2C)cc1F ZINC001233343672 1127951762 /nfs/dbraw/zinc/95/17/62/1127951762.db2.gz VZGRPOFSKRPRRW-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2ccsc2)c(C)n1 ZINC000669850689 1127952370 /nfs/dbraw/zinc/95/23/70/1127952370.db2.gz FYNHPDGRTWXQNG-ZJUUUORDSA-N 0 1 261.394 3.567 20 0 CHADMN CN(CCSc1ccccc1)Cc1cc(Cl)cn1C ZINC000466968765 1127952707 /nfs/dbraw/zinc/95/27/07/1127952707.db2.gz GDEBPYKEMJRCTE-UHFFFAOYSA-N 0 1 294.851 3.903 20 0 CHADMN CO[C@]1(C)C[C@@H](Nc2ccnc3cc(F)ccc32)C1(C)C ZINC000467008992 1127953475 /nfs/dbraw/zinc/95/34/75/1127953475.db2.gz HRGCYUMYVQBGFU-NVXWUHKLSA-N 0 1 288.366 3.989 20 0 CHADMN C[C@H](OC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)c1ccc(F)cc1 ZINC000741016508 1127954890 /nfs/dbraw/zinc/95/48/90/1127954890.db2.gz IGSUSBNWJNHULX-XUXIUFHCSA-N 0 1 293.382 3.691 20 0 CHADMN COC[C@H]1CCCC[N@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000467120580 1127956036 /nfs/dbraw/zinc/95/60/36/1127956036.db2.gz PMGINGHMTMMWEC-OLZOCXBDSA-N 0 1 283.362 3.774 20 0 CHADMN COc1ccc(CN2CCC[C@@H](C)CC2)c(Cl)c1O ZINC001233398044 1127958510 /nfs/dbraw/zinc/95/85/10/1127958510.db2.gz VWBJFVVOMWWSSL-LLVKDONJSA-N 0 1 283.799 3.676 20 0 CHADMN Cc1cnc([C@H](C)N2CCC[C@@H](Cc3ccccc3)C2)o1 ZINC000540054344 1127959141 /nfs/dbraw/zinc/95/91/41/1127959141.db2.gz WFMLUDHAARCEKR-RDJZCZTQSA-N 0 1 284.403 3.999 20 0 CHADMN CCC[C@@H](C)CC(=O)Nc1cc(C(=O)CC)ccc1O ZINC000462931180 1127960348 /nfs/dbraw/zinc/96/03/48/1127960348.db2.gz YEKUCUYCWMJGFT-LLVKDONJSA-N 0 1 277.364 3.750 20 0 CHADMN C[C@@H](NCCOc1ccc(F)cc1)c1c(F)cccc1F ZINC000540324280 1127975103 /nfs/dbraw/zinc/97/51/03/1127975103.db2.gz BCFFZNAAURFBRL-LLVKDONJSA-N 0 1 295.304 3.834 20 0 CHADMN CCC(CC)[C@@H](NCc1ccno1)c1ccccc1 ZINC000540353668 1127976069 /nfs/dbraw/zinc/97/60/69/1127976069.db2.gz ZIHGQNLJVNURET-MRXNPFEDSA-N 0 1 258.365 3.942 20 0 CHADMN CC[C@H](NCc1nc(Cc2ccccc2)no1)C(C)(C)C ZINC000540589309 1127986027 /nfs/dbraw/zinc/98/60/27/1127986027.db2.gz RDUAVINOSKXEOA-AWEZNQCLSA-N 0 1 287.407 3.575 20 0 CHADMN Cc1ccc([C@H](C)Oc2n[nH]c(=O)cc2Cl)c(C)c1 ZINC001233587318 1127992346 /nfs/dbraw/zinc/99/23/46/1127992346.db2.gz PRJQXHXXXIGGHM-JTQLQIEISA-N 0 1 278.739 3.592 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCC(C)(C)C3)n2)cc1 ZINC000541062862 1128006163 /nfs/dbraw/zinc/00/61/63/1128006163.db2.gz BZDWLXFJZQLIFU-CYBMUJFWSA-N 0 1 298.390 3.545 20 0 CHADMN CCOC(=O)[C@H](CC(C)C)N1CCC[C@H]1c1ccsc1 ZINC000541069504 1128006801 /nfs/dbraw/zinc/00/68/01/1128006801.db2.gz GLIDFFVCOWDDTM-GJZGRUSLSA-N 0 1 295.448 3.863 20 0 CHADMN CCOC(=O)[C@@H](CC(C)C)N1CCC[C@H]1c1cccs1 ZINC000541065536 1128006975 /nfs/dbraw/zinc/00/69/75/1128006975.db2.gz OSQRQGNAUPJLLH-UONOGXRCSA-N 0 1 295.448 3.863 20 0 CHADMN CO[C@H](C)CN([C@H](C)c1ccccc1Cl)C1CC1 ZINC000541069548 1128007161 /nfs/dbraw/zinc/00/71/61/1128007161.db2.gz DMDRGHIBIYGFFK-VXGBXAGGSA-N 0 1 267.800 3.900 20 0 CHADMN CC(C)(CC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])C1CC1 ZINC000405962024 1128007638 /nfs/dbraw/zinc/00/76/38/1128007638.db2.gz PCFZGMZISPSUDK-YUELXQCFSA-N 0 1 279.424 3.530 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCC[C@H]1c1ccccn1 ZINC000545273780 1128008945 /nfs/dbraw/zinc/00/89/45/1128008945.db2.gz CNVRQWSOTPPWMF-KRWDZBQOSA-N 0 1 284.407 3.505 20 0 CHADMN CCc1ccc(CN2CCCC[C@@H]2c2ccnn2C)s1 ZINC000545278369 1128008990 /nfs/dbraw/zinc/00/89/90/1128008990.db2.gz BQLLXGKUZLVPMK-MRXNPFEDSA-N 0 1 289.448 3.771 20 0 CHADMN Cc1cccc(NC(=O)CN2CC[C@H](C)C(C)(C)C2)c1C ZINC000545420560 1128013925 /nfs/dbraw/zinc/01/39/25/1128013925.db2.gz MQCRSBWTQIFWLW-AWEZNQCLSA-N 0 1 288.435 3.610 20 0 CHADMN CCCCc1noc([C@H](C)N2C[C@H](C)CC(C)(C)C2)n1 ZINC000541317862 1128016723 /nfs/dbraw/zinc/01/67/23/1128016723.db2.gz DRFBMRFSXROBLU-OLZOCXBDSA-N 0 1 279.428 3.841 20 0 CHADMN CCC[C@H](CC)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000468707757 1128017469 /nfs/dbraw/zinc/01/74/69/1128017469.db2.gz TVZWIARPRHIAQB-HNNXBMFYSA-N 0 1 297.402 3.556 20 0 CHADMN FCCN[C@H]1CCc2c1cc(Cl)cc2Br ZINC000308922171 1128023081 /nfs/dbraw/zinc/02/30/81/1128023081.db2.gz JFRINVBUYMLVQL-NSHDSACASA-N 0 1 292.579 3.649 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N(C)CCc1ccccc1O ZINC000541392829 1128022302 /nfs/dbraw/zinc/02/23/02/1128022302.db2.gz KSHCXRBZFRHQAG-CYBMUJFWSA-N 0 1 296.370 3.769 20 0 CHADMN Cc1ccc(-c2cnc(CNC3(C4CC4)CC3)o2)cc1 ZINC000541594816 1128029849 /nfs/dbraw/zinc/02/98/49/1128029849.db2.gz FVJGRTGXSACDSD-UHFFFAOYSA-N 0 1 268.360 3.682 20 0 CHADMN Cc1ccccc1Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000545749873 1128032095 /nfs/dbraw/zinc/03/20/95/1128032095.db2.gz AFFOVVZSPVAKKS-UHFFFAOYSA-N 0 1 290.326 3.512 20 0 CHADMN COc1ccc2nc(SCC[C@H]3CCCCO3)[nH]c2c1 ZINC000541784432 1128038947 /nfs/dbraw/zinc/03/89/47/1128038947.db2.gz LKSYHDLZCSWOBM-LLVKDONJSA-N 0 1 292.404 3.623 20 0 CHADMN CCC(CC)(CC)NC(=O)c1ccc(O)c(Cl)c1 ZINC000086645807 1128045953 /nfs/dbraw/zinc/04/59/53/1128045953.db2.gz QCYJHLFDBCXBOC-UHFFFAOYSA-N 0 1 269.772 3.744 20 0 CHADMN COc1cccc2c1CC[N@@H+](CCSc1ccccc1)C2 ZINC000542013676 1128048089 /nfs/dbraw/zinc/04/80/89/1128048089.db2.gz WJXQYOKHNFVQMO-UHFFFAOYSA-N 0 1 299.439 3.846 20 0 CHADMN Cc1csc(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)n1 ZINC000542322186 1128063454 /nfs/dbraw/zinc/06/34/54/1128063454.db2.gz HVHCAUFFHXYEDD-OAHLLOKOSA-N 0 1 272.417 3.749 20 0 CHADMN CC(C)(C)[C@H]1CC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000542321075 1128063707 /nfs/dbraw/zinc/06/37/07/1128063707.db2.gz YRKUNKZAMGATDN-LBPRGKRZSA-N 0 1 291.826 3.856 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H]2CCC3(CCCC3)O2)cs1 ZINC000669933157 1128068407 /nfs/dbraw/zinc/06/84/07/1128068407.db2.gz JVCFYPVNPXGQTQ-DGCLKSJQSA-N 0 1 280.437 3.594 20 0 CHADMN Cc1ccnc(NC[C@H](c2ccccc2Cl)N(C)C)c1 ZINC000470521016 1128072904 /nfs/dbraw/zinc/07/29/04/1128072904.db2.gz SOXGVTNPBVWPEB-OAHLLOKOSA-N 0 1 289.810 3.758 20 0 CHADMN C[C@@H]([N@H+](C)Cc1cccc([O-])c1Cl)C(C)(C)C ZINC000328337691 1128077647 /nfs/dbraw/zinc/07/76/47/1128077647.db2.gz KPJCUXSJYWYARU-SNVBAGLBSA-N 0 1 255.789 3.912 20 0 CHADMN C[C@@H]([N@@H+](C)Cc1cccc([O-])c1Cl)C(C)(C)C ZINC000328337691 1128077652 /nfs/dbraw/zinc/07/76/52/1128077652.db2.gz KPJCUXSJYWYARU-SNVBAGLBSA-N 0 1 255.789 3.912 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1ccccc1F ZINC000470950849 1128081032 /nfs/dbraw/zinc/08/10/32/1128081032.db2.gz SOWWPDAIHRLUFX-MWLCHTKSSA-N 0 1 261.262 3.598 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cccc(F)c1 ZINC000470948872 1128083027 /nfs/dbraw/zinc/08/30/27/1128083027.db2.gz VRGZGPPUYXGFOO-JOYOIKCWSA-N 0 1 261.262 3.598 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccc(N)nc2)o1 ZINC000929760679 1128083463 /nfs/dbraw/zinc/08/34/63/1128083463.db2.gz VXXIGKDVQKAVQN-SWLSCSKDSA-N 0 1 285.391 3.538 20 0 CHADMN Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)nn1C ZINC000669944705 1128084922 /nfs/dbraw/zinc/08/49/22/1128084922.db2.gz GWLXFGRPLNNFBZ-GGPHIMKMSA-N 0 1 295.430 3.639 20 0 CHADMN COC(=O)c1cccc(CN2C[C@H](C)[C@H]2c2ccccc2)c1 ZINC000471025255 1128085120 /nfs/dbraw/zinc/08/51/20/1128085120.db2.gz KFWSPNQKQDDTIZ-KSSFIOAISA-N 0 1 295.382 3.666 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CCC[C@@](C)(O)CC1 ZINC000471076475 1128086687 /nfs/dbraw/zinc/08/66/87/1128086687.db2.gz NKIFCFSCBMALKO-IAQYHMDHSA-N 0 1 285.790 3.777 20 0 CHADMN Cc1c(C)c(C)c(CN(C)Cc2ccnn2C)c(C)c1C ZINC000471079194 1128086778 /nfs/dbraw/zinc/08/67/78/1128086778.db2.gz OXLMAUKNBJRXCQ-UHFFFAOYSA-N 0 1 285.435 3.594 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CC(C)(C)c3ccccc32)nn1C ZINC000282099866 1128088749 /nfs/dbraw/zinc/08/87/49/1128088749.db2.gz IOUUFIHCLLGMDH-GUYCJALGSA-N 0 1 283.419 3.802 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1c(Cl)nccc1N(C)C ZINC001234096290 1128091174 /nfs/dbraw/zinc/09/11/74/1128091174.db2.gz NSOHOUXHDUDUEZ-VXGBXAGGSA-N 0 1 281.831 3.564 20 0 CHADMN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@@H]1C ZINC000173903242 1128094247 /nfs/dbraw/zinc/09/42/47/1128094247.db2.gz KKJIOIVJRBCPJK-QWRGUYRKSA-N 0 1 291.782 3.935 20 0 CHADMN CC(C)CO[C@@H](C)c1noc(CN(CC(C)C)C(C)C)n1 ZINC000173873455 1128094299 /nfs/dbraw/zinc/09/42/99/1128094299.db2.gz QATCMIMSJWXKQW-AWEZNQCLSA-N 0 1 297.443 3.670 20 0 CHADMN CCn1ccc(CN(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)c1 ZINC000682777460 1128097089 /nfs/dbraw/zinc/09/70/89/1128097089.db2.gz AEURFFQANREMDN-XJKSGUPXSA-N 0 1 272.392 3.856 20 0 CHADMN Cc1ccc2nc(S[C@@H](C)C(F)(F)F)[nH]c2c1 ZINC000466982283 1128097758 /nfs/dbraw/zinc/09/77/58/1128097758.db2.gz DYARNRDHJZJJJW-ZETCQYMHSA-N 0 1 260.284 3.914 20 0 CHADMN C[C@@H](NCCc1ccc(Cl)cc1Cl)c1ncco1 ZINC000924528145 1128101631 /nfs/dbraw/zinc/10/16/31/1128101631.db2.gz MLGQDIZWZGRNOK-SECBINFHSA-N 0 1 285.174 3.875 20 0 CHADMN COc1ccnc([C@@H](C)N[C@@H](C)c2ccccc2C)c1 ZINC000924544761 1128103488 /nfs/dbraw/zinc/10/34/88/1128103488.db2.gz ZQJMLKNGIXGQLS-UONOGXRCSA-N 0 1 270.376 3.810 20 0 CHADMN C[C@H](NCCc1ccc(C(F)(F)F)cc1)c1ncco1 ZINC000924559770 1128104731 /nfs/dbraw/zinc/10/47/31/1128104731.db2.gz SKYGBMDFHPGVPB-JTQLQIEISA-N 0 1 284.281 3.587 20 0 CHADMN C[C@H](N[C@H]1CCOc2ccccc21)c1ccnn1C1CCC1 ZINC000924564431 1128105425 /nfs/dbraw/zinc/10/54/25/1128105425.db2.gz QSRVTPKKGBZGJI-BBRMVZONSA-N 0 1 297.402 3.783 20 0 CHADMN CCOCc1ccc(CN[C@H](C)c2ccns2)cc1 ZINC000924637812 1128108104 /nfs/dbraw/zinc/10/81/04/1128108104.db2.gz DVXVNPUUWPUAKN-GFCCVEGCSA-N 0 1 276.405 3.530 20 0 CHADMN COc1ccnc([C@@H](C)N[C@H](c2cccs2)C2CC2)c1 ZINC000924593706 1128106323 /nfs/dbraw/zinc/10/63/23/1128106323.db2.gz XYKBGHGXNXQXDD-BZNIZROVSA-N 0 1 288.416 3.954 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2cc(O)cc(F)c2)cc1 ZINC000924611625 1128107436 /nfs/dbraw/zinc/10/74/36/1128107436.db2.gz ZAGNWBFWZNZNLD-LBPRGKRZSA-N 0 1 289.350 3.529 20 0 CHADMN Cc1csc(CN[C@@H]2CCc3cccc(C)c32)n1 ZINC000924614166 1128108401 /nfs/dbraw/zinc/10/84/01/1128108401.db2.gz IITBEPMXOREKLT-CYBMUJFWSA-N 0 1 258.390 3.537 20 0 CHADMN Clc1ccnc2c1CCC[C@@H]2NCc1ccsc1 ZINC000924665113 1128108806 /nfs/dbraw/zinc/10/88/06/1128108806.db2.gz ICQDPERBGWWHHP-ZDUSSCGKSA-N 0 1 278.808 3.964 20 0 CHADMN CC[C@@H](NCc1ccc(C)s1)c1cccc(OC)n1 ZINC000924699185 1128110020 /nfs/dbraw/zinc/11/00/20/1128110020.db2.gz IMABCCJSWHHZKL-CYBMUJFWSA-N 0 1 276.405 3.701 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)N[C@H](C)c1ccnnc1 ZINC000924691811 1128110113 /nfs/dbraw/zinc/11/01/13/1128110113.db2.gz HUHOONJOPVDQBP-ZIAGYGMSSA-N 0 1 285.391 3.676 20 0 CHADMN C[C@@H](NCCc1ccccc1C(F)(F)F)c1ncco1 ZINC000924741360 1128111841 /nfs/dbraw/zinc/11/18/41/1128111841.db2.gz IREMEHGDNHQBOK-SNVBAGLBSA-N 0 1 284.281 3.587 20 0 CHADMN COc1ccnc([C@@H](C)N[C@H](C)c2ccc(C)s2)c1 ZINC000924768336 1128112370 /nfs/dbraw/zinc/11/23/70/1128112370.db2.gz XZDMUUZVUSDDHR-VXGBXAGGSA-N 0 1 276.405 3.872 20 0 CHADMN Cc1nn(C)c(CN[C@@H]2CCCc3ccccc32)c1Cl ZINC000089231889 1128112398 /nfs/dbraw/zinc/11/23/98/1128112398.db2.gz PTIIWLYYCVFSFW-CQSZACIVSA-N 0 1 289.810 3.549 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cn3c(n2)CCCC3)cc1 ZINC000924858811 1128115136 /nfs/dbraw/zinc/11/51/36/1128115136.db2.gz QYGQYHBVQVDXIC-UONOGXRCSA-N 0 1 299.418 3.640 20 0 CHADMN CCC[C@@H](NC[C@H](O)CC(C)C)c1ncccc1Cl ZINC000924871449 1128115390 /nfs/dbraw/zinc/11/53/90/1128115390.db2.gz NFRSLTJYZGEVDZ-TZMCWYRMSA-N 0 1 284.831 3.573 20 0 CHADMN C[C@@H](N[C@@H](C)c1ncco1)C(C)(C)c1ccccc1 ZINC000924929953 1128116605 /nfs/dbraw/zinc/11/66/05/1128116605.db2.gz ODJCGDUSVVIMHL-QWHCGFSZSA-N 0 1 258.365 3.692 20 0 CHADMN Cc1ccc(C(C)(C)CN[C@H](C)c2ncco2)cc1 ZINC000924940279 1128116952 /nfs/dbraw/zinc/11/69/52/1128116952.db2.gz WZJGXFIJPVXOKX-CYBMUJFWSA-N 0 1 258.365 3.611 20 0 CHADMN C[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1cn(C)cn1 ZINC000924945215 1128117474 /nfs/dbraw/zinc/11/74/74/1128117474.db2.gz DFENIYAONSUFBV-SJCJKPOMSA-N 0 1 287.382 3.751 20 0 CHADMN CCCN(Cc1ccc(OC)cc1Br)C1CC1 ZINC001168447344 1128123132 /nfs/dbraw/zinc/12/31/32/1128123132.db2.gz HWFIHDBXLRHLCQ-UHFFFAOYSA-N 0 1 298.224 3.832 20 0 CHADMN CC(C)c1nc([C@H](C)NC2CC3(C2)CO[C@@H](C)C3)cs1 ZINC000925447389 1128129501 /nfs/dbraw/zinc/12/95/01/1128129501.db2.gz XCUXHNHWKJLZHP-HSWOEZIZSA-N 0 1 294.464 3.875 20 0 CHADMN CCC[C@H](N[C@@H]1CCC1(OC)OC)c1ccc(F)cc1F ZINC000925265094 1128127021 /nfs/dbraw/zinc/12/70/21/1128127021.db2.gz QMFBSUUYLGLALU-LSDHHAIUSA-N 0 1 299.361 3.547 20 0 CHADMN C[C@H](N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccnnc1 ZINC000925269996 1128127624 /nfs/dbraw/zinc/12/76/24/1128127624.db2.gz QKSWJVUCCDRDEW-XJKSGUPXSA-N 0 1 295.386 3.574 20 0 CHADMN CC[C@@H](C)[C@@H](C)N1CCc2c(ncn2-c2ccccc2)C1 ZINC001168448344 1128127811 /nfs/dbraw/zinc/12/78/11/1128127811.db2.gz OCQAGHFOFGXTKH-HUUCEWRRSA-N 0 1 283.419 3.665 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H](C)c1cc(O)cc(F)c1 ZINC000925293597 1128127943 /nfs/dbraw/zinc/12/79/43/1128127943.db2.gz MKDPNOWPHHOBGS-RYUDHWBXSA-N 0 1 274.339 3.647 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1cn3c(n1)CCCC3)CC2 ZINC000925375628 1128128618 /nfs/dbraw/zinc/12/86/18/1128128618.db2.gz SJGMVXRAPIYIRL-YOEHRIQHSA-N 0 1 295.430 3.866 20 0 CHADMN CC(C)[C@H](NC1CC2(C1)CCCC2)c1nc(C2CC2)no1 ZINC000925414601 1128129325 /nfs/dbraw/zinc/12/93/25/1128129325.db2.gz XZQIPWVVPYJRKL-AWEZNQCLSA-N 0 1 289.423 3.957 20 0 CHADMN CCn1c2ccccc2nc1[C@@H](C)N[C@@H](C)C1(Cl)CC1 ZINC000925440390 1128129461 /nfs/dbraw/zinc/12/94/61/1128129461.db2.gz RKJWVVWLXSZNCB-NEPJUHHUSA-N 0 1 291.826 3.867 20 0 CHADMN c1csc([C@@H](NCC2CC=CC2)c2ccccc2)n1 ZINC000660047046 1128130129 /nfs/dbraw/zinc/13/01/29/1128130129.db2.gz RUJZJYWLFZQRSA-HNNXBMFYSA-N 0 1 270.401 3.788 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000925465840 1128129899 /nfs/dbraw/zinc/12/98/99/1128129899.db2.gz JBVSMCBKWUPOOU-JYJNAYRXSA-N 0 1 282.387 3.581 20 0 CHADMN CC[C@H](NCc1ccco1)c1ccc2c(c1)CCCO2 ZINC000152547878 1128138261 /nfs/dbraw/zinc/13/82/61/1128138261.db2.gz PLFGMJSJWNWYCE-INIZCTEOSA-N 0 1 271.360 3.846 20 0 CHADMN Cc1ccc([C@H](NCCOC2CCC2)c2cccnc2)cc1 ZINC000925895216 1128145338 /nfs/dbraw/zinc/14/53/38/1128145338.db2.gz WDQJYCQYVUIOFG-IBGZPJMESA-N 0 1 296.414 3.638 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cc(N)cc[nH+]1)C1CCCC1 ZINC000925766330 1128141077 /nfs/dbraw/zinc/14/10/77/1128141077.db2.gz IWWFSSOLELTUJS-IBGZPJMESA-N 0 1 295.430 3.993 20 0 CHADMN CC[C@H](NC1(c2ccccc2)CC1)c1cccc(OC)n1 ZINC000925826667 1128143208 /nfs/dbraw/zinc/14/32/08/1128143208.db2.gz POLWXIHSHAFEDU-HNNXBMFYSA-N 0 1 282.387 3.820 20 0 CHADMN Cc1cccc(C2(N[C@H](C)Cc3cccc(F)c3)COC2)c1 ZINC001168460102 1128152512 /nfs/dbraw/zinc/15/25/12/1128152512.db2.gz QBIZCDQELMHCEL-OAHLLOKOSA-N 0 1 299.389 3.580 20 0 CHADMN CCCc1csc(CNC/C=C\c2ccccc2)n1 ZINC000494056881 1128155376 /nfs/dbraw/zinc/15/53/76/1128155376.db2.gz BHNIPOPJWOXILU-POHAHGRESA-N 0 1 272.417 3.899 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)CCS1 ZINC000494152544 1128157165 /nfs/dbraw/zinc/15/71/65/1128157165.db2.gz KOAVEONGSAKLHS-SNVBAGLBSA-N 0 1 273.804 3.807 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@H](C)c1cn2c(n1)CCCC2 ZINC000926173781 1128158172 /nfs/dbraw/zinc/15/81/72/1128158172.db2.gz YGBDMCXQCOCTDX-MNOVXSKESA-N 0 1 289.345 3.601 20 0 CHADMN C[C@H](N[C@H](CO)c1ccsc1)c1cc2ccccc2[nH]1 ZINC000926200550 1128159957 /nfs/dbraw/zinc/15/99/57/1128159957.db2.gz UIWUTVFOKMQGOU-MEDUHNTESA-N 0 1 286.400 3.614 20 0 CHADMN Cc1cscc1CN[C@@H](C)c1c(C)noc1C ZINC000926304364 1128165625 /nfs/dbraw/zinc/16/56/25/1128165625.db2.gz SALCHXFAUOCXKP-VIFPVBQESA-N 0 1 250.367 3.512 20 0 CHADMN Cc1cscc1CN[C@@H]1CCc2c1nccc2Cl ZINC000926303571 1128165949 /nfs/dbraw/zinc/16/59/49/1128165949.db2.gz MYYNANKFKNJRCX-CYBMUJFWSA-N 0 1 278.808 3.882 20 0 CHADMN FC1(F)CCC[C@@H]1N[C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000926428504 1128171869 /nfs/dbraw/zinc/17/18/69/1128171869.db2.gz KYXOZQYLBQOFFO-YUELXQCFSA-N 0 1 280.362 3.570 20 0 CHADMN C[C@H](Nc1cc2c(cn1)CCCC2)c1ccns1 ZINC000926467026 1128173099 /nfs/dbraw/zinc/17/30/99/1128173099.db2.gz LDHXMOSGXRTRPF-JTQLQIEISA-N 0 1 259.378 3.590 20 0 CHADMN Cc1ccc(C(C)(C)CN[C@H](C)c2ncco2)c(C)c1 ZINC000926469671 1128173453 /nfs/dbraw/zinc/17/34/53/1128173453.db2.gz OYYPJOONHVVXMW-CQSZACIVSA-N 0 1 272.392 3.920 20 0 CHADMN CCC[C@@H](NC[C@H](CC)OC)c1ncccc1Cl ZINC000926462114 1128173540 /nfs/dbraw/zinc/17/35/40/1128173540.db2.gz UYEOMESPQOBUDR-WCQYABFASA-N 0 1 270.804 3.591 20 0 CHADMN Cc1nc(CN[C@@H](C)CCOCc2ccccc2)cs1 ZINC000288477124 1128173724 /nfs/dbraw/zinc/17/37/24/1128173724.db2.gz PLOKNSSYCSFHMG-ZDUSSCGKSA-N 0 1 290.432 3.537 20 0 CHADMN Cc1nnsc1CN[C@@H](C)c1c(C)oc2ccccc21 ZINC000926473803 1128174126 /nfs/dbraw/zinc/17/41/26/1128174126.db2.gz KWCQIYGTJFCXKQ-JTQLQIEISA-N 0 1 287.388 3.752 20 0 CHADMN COc1ccccc1[C@H](NCC[C@H](C)F)c1ccccn1 ZINC000926485395 1128174934 /nfs/dbraw/zinc/17/49/34/1128174934.db2.gz JTESHVZNTCFMEB-GUYCJALGSA-N 0 1 288.366 3.517 20 0 CHADMN COc1ccccc1[C@@H](NCC[C@H](C)F)c1ccccn1 ZINC000926485396 1128175015 /nfs/dbraw/zinc/17/50/15/1128175015.db2.gz JTESHVZNTCFMEB-SUMWQHHRSA-N 0 1 288.366 3.517 20 0 CHADMN Cc1nonc1[C@@H](C)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000926495132 1128175661 /nfs/dbraw/zinc/17/56/61/1128175661.db2.gz LEDIMRGIRPZRTC-YUSALJHKSA-N 0 1 291.782 3.628 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(C2CC2)c1)c1cn(C)cn1 ZINC000926493994 1128175767 /nfs/dbraw/zinc/17/57/67/1128175767.db2.gz XMUKPXAOFSTAML-QWHCGFSZSA-N 0 1 269.392 3.709 20 0 CHADMN Cc1c2ccccc2oc1[C@H](C)N[C@H](C)c1cn[nH]c1 ZINC000222482868 1128177391 /nfs/dbraw/zinc/17/73/91/1128177391.db2.gz DOZGAGUVLMPQIA-NEPJUHHUSA-N 0 1 269.348 3.876 20 0 CHADMN Cc1c2cc(F)ccc2oc1CNCc1cncc(F)c1 ZINC000494563893 1128178210 /nfs/dbraw/zinc/17/82/10/1128178210.db2.gz VBRJWHQGXMELBC-UHFFFAOYSA-N 0 1 288.297 3.704 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccc(C(=O)OC)o1)c1ccccc1 ZINC000223625910 1128180451 /nfs/dbraw/zinc/18/04/51/1128180451.db2.gz DFYUSKIVWKDWFN-TZMCWYRMSA-N 0 1 287.359 3.868 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H](C)c2cn3c(n2)CCCC3)c1 ZINC000926555319 1128180522 /nfs/dbraw/zinc/18/05/22/1128180522.db2.gz MSBNHKAZVFZJTD-GJZGRUSLSA-N 0 1 283.419 3.940 20 0 CHADMN CC[C@H](N[C@H](C)c1ccc(C(=O)OC)o1)c1ccccc1 ZINC000223625963 1128180615 /nfs/dbraw/zinc/18/06/15/1128180615.db2.gz DFYUSKIVWKDWFN-OCCSQVGLSA-N 0 1 287.359 3.868 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(C(C)(C)O)cc2)nc1C ZINC000926567367 1128181253 /nfs/dbraw/zinc/18/12/53/1128181253.db2.gz FISJUFVDHYGDKK-OAHLLOKOSA-N 0 1 298.430 3.777 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccnn2CC2CCC2)cc(C)n1 ZINC000926599836 1128183227 /nfs/dbraw/zinc/18/32/27/1128183227.db2.gz GICRJTXEYSXFAM-OAHLLOKOSA-N 0 1 298.434 3.546 20 0 CHADMN Clc1ccc([C@H](N[C@H]2CC23CC3)c2ccccn2)cc1 ZINC000926616052 1128183813 /nfs/dbraw/zinc/18/38/13/1128183813.db2.gz RBPPHLBQASHIEC-HOTGVXAUSA-N 0 1 284.790 3.967 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(CF)cc2)cc1O ZINC000777601904 1128184675 /nfs/dbraw/zinc/18/46/75/1128184675.db2.gz ZTJTZHHJRFIOEX-UHFFFAOYSA-N 0 1 289.350 3.502 20 0 CHADMN C[C@@H](NC1(c2cccc(Cl)c2)CCC1)c1ccnnc1 ZINC000926639630 1128185249 /nfs/dbraw/zinc/18/52/49/1128185249.db2.gz SEXLXHYONSDYGH-GFCCVEGCSA-N 0 1 287.794 3.860 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@@H](OCC2CC2)C1 ZINC000494706724 1128186090 /nfs/dbraw/zinc/18/60/90/1128186090.db2.gz GGNIKBIAWBDGNN-SWLSCSKDSA-N 0 1 295.373 3.917 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@H](OCC2CC2)C1 ZINC000494706725 1128186292 /nfs/dbraw/zinc/18/62/92/1128186292.db2.gz GGNIKBIAWBDGNN-WFASDCNBSA-N 0 1 295.373 3.917 20 0 CHADMN c1cnc(C2(NC3CC4(C3)CCCCC4)CCC2)nc1 ZINC000926852459 1128198651 /nfs/dbraw/zinc/19/86/51/1128198651.db2.gz PNUJAPYESAXEEM-UHFFFAOYSA-N 0 1 271.408 3.558 20 0 CHADMN CC(C)Sc1ccc(CN[C@H](C)c2cn[nH]c2)cc1 ZINC000494697182 1128186552 /nfs/dbraw/zinc/18/65/52/1128186552.db2.gz BUCWXOPVESPCIJ-GFCCVEGCSA-N 0 1 275.421 3.761 20 0 CHADMN CCCC1(CN[C@@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000542493861 1128187732 /nfs/dbraw/zinc/18/77/32/1128187732.db2.gz FSAJQYWSLYPLCQ-KRWDZBQOSA-N 0 1 299.393 3.875 20 0 CHADMN C[C@@H](NCc1c(C2CC2)cnn1C)c1cc2ccccc2[nH]1 ZINC000926702881 1128189351 /nfs/dbraw/zinc/18/93/51/1128189351.db2.gz QRZYDLWHLVSAKR-GFCCVEGCSA-N 0 1 294.402 3.630 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1cnn(C2CCC2)c1 ZINC000926708424 1128189371 /nfs/dbraw/zinc/18/93/71/1128189371.db2.gz GUQSZRQCVZFCSF-KZULUSFZSA-N 0 1 297.402 3.652 20 0 CHADMN FC(F)(F)[C@@H]1C[C@H]1N[C@@H]1CCCc2c(Cl)ccnc21 ZINC000926799315 1128195343 /nfs/dbraw/zinc/19/53/43/1128195343.db2.gz RAQOVNGCPILACA-FBIMIBRVSA-N 0 1 290.716 3.653 20 0 CHADMN Cc1nc([C@@H]2CCCC[N@@H+]2CC(C(C)C)C(C)C)no1 ZINC000671304720 1128195682 /nfs/dbraw/zinc/19/56/82/1128195682.db2.gz IIRSXZUMOADNSB-HNNXBMFYSA-N 0 1 279.428 3.833 20 0 CHADMN Cc1nc([C@@H]2CCCCN2CC(C(C)C)C(C)C)no1 ZINC000671304720 1128195684 /nfs/dbraw/zinc/19/56/84/1128195684.db2.gz IIRSXZUMOADNSB-HNNXBMFYSA-N 0 1 279.428 3.833 20 0 CHADMN Cc1nnsc1[C@H](C)N(C)CCCCc1ccccc1 ZINC000929289197 1128268286 /nfs/dbraw/zinc/26/82/86/1128268286.db2.gz MMCCJNSPJSGQJS-AWEZNQCLSA-N 0 1 289.448 3.862 20 0 CHADMN Clc1oc2ccccc2c1CNCCOCC1CC1 ZINC000230346993 1128251147 /nfs/dbraw/zinc/25/11/47/1128251147.db2.gz OKDFDUPRTRDFRX-UHFFFAOYSA-N 0 1 279.767 3.602 20 0 CHADMN CCCC(CCC)[N@@H+](CC)CC(=O)OC(C)(C)C ZINC001257340024 1128252852 /nfs/dbraw/zinc/25/28/52/1128252852.db2.gz BYMULCFNXWMIJB-UHFFFAOYSA-N 0 1 257.418 3.619 20 0 CHADMN CC(C)c1ccc([C@@H]2CCCC[N@H+]2CC2OCCO2)cc1 ZINC000777715627 1128252878 /nfs/dbraw/zinc/25/28/78/1128252878.db2.gz CQPRWYUKYFOWTC-KRWDZBQOSA-N 0 1 289.419 3.710 20 0 CHADMN CC[N@@H+](Cc1ccncc1)Cc1ccc(CF)cc1 ZINC000777716594 1128253150 /nfs/dbraw/zinc/25/31/50/1128253150.db2.gz MBMQDPJIJOHYGQ-UHFFFAOYSA-N 0 1 258.340 3.573 20 0 CHADMN CCC[C@@H](C(=O)NNc1ccnc2ccccc21)C(C)C ZINC000153381215 1128253323 /nfs/dbraw/zinc/25/33/23/1128253323.db2.gz BJPQRABDOKRQNK-CYBMUJFWSA-N 0 1 285.391 3.750 20 0 CHADMN COCCc1ncc(CN(C)[C@@H](C)c2ccccc2)s1 ZINC000637870131 1128253392 /nfs/dbraw/zinc/25/33/92/1128253392.db2.gz BBWVQKTWRHHGDP-ZDUSSCGKSA-N 0 1 290.432 3.525 20 0 CHADMN CCc1ncc(CN2CCC[C@@H]2c2ccccc2)o1 ZINC000929106510 1128257743 /nfs/dbraw/zinc/25/77/43/1128257743.db2.gz IJMQRBUBMBFFFM-OAHLLOKOSA-N 0 1 256.349 3.574 20 0 CHADMN CCc1cc(CN(Cc2ccccn2)C2CCCCC2)on1 ZINC001203225974 1128257792 /nfs/dbraw/zinc/25/77/92/1128257792.db2.gz BDTOXUALWAMDRK-UHFFFAOYSA-N 0 1 299.418 3.967 20 0 CHADMN Cc1cc(CN2CC=C(c3ccc(F)cc3)CC2)c(C)nn1 ZINC000929147015 1128261129 /nfs/dbraw/zinc/26/11/29/1128261129.db2.gz HWFXRHJCDXVDRA-UHFFFAOYSA-N 0 1 297.377 3.522 20 0 CHADMN CC[C@H](C)N(Cc1nn(C)cc1C)Cc1ccccc1 ZINC000929223014 1128264782 /nfs/dbraw/zinc/26/47/82/1128264782.db2.gz NNKCKMPQEUTMGL-HNNXBMFYSA-N 0 1 271.408 3.529 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(C(C)C)cc2)c(C)nn1 ZINC000929239126 1128265321 /nfs/dbraw/zinc/26/53/21/1128265321.db2.gz VZCGKHYVDCQBSF-UHFFFAOYSA-N 0 1 283.419 3.849 20 0 CHADMN CC[C@H](N[C@@H](c1ccccn1)C1CC1)c1cccc(OC)n1 ZINC000926895490 1128200289 /nfs/dbraw/zinc/20/02/89/1128200289.db2.gz XATXVQCFEHXLPX-KBXCAEBGSA-N 0 1 297.402 3.677 20 0 CHADMN C[C@@H](N[C@@H](c1ccccn1)C1CC1)c1cnn(C2CCC2)c1 ZINC000926895077 1128200339 /nfs/dbraw/zinc/20/03/39/1128200339.db2.gz CULGXOOUTCHVTP-FZKQIMNGSA-N 0 1 296.418 3.805 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H](C)c2ccc(F)cc2C)c1 ZINC000926899639 1128201270 /nfs/dbraw/zinc/20/12/70/1128201270.db2.gz XJNVLGVLZNKWCG-STQMWFEESA-N 0 1 288.366 3.950 20 0 CHADMN C[C@H](NCCc1cnc2ccccc2c1)c1cscn1 ZINC000926919613 1128203343 /nfs/dbraw/zinc/20/33/43/1128203343.db2.gz MFZNOKZVQBPAKK-LBPRGKRZSA-N 0 1 283.400 3.585 20 0 CHADMN Cc1cnc(CN[C@@H]2CCCc3ccc(O)cc32)c(C)c1 ZINC000926958432 1128205883 /nfs/dbraw/zinc/20/58/83/1128205883.db2.gz FAUHOCHXCWFJCB-QGZVFWFLSA-N 0 1 282.387 3.571 20 0 CHADMN CC(C)c1ccc(CN2CC[C@@](F)(CO)C2)c(C(C)C)c1 ZINC000670113262 1128206368 /nfs/dbraw/zinc/20/63/68/1128206368.db2.gz MVCVUUDQJQQMDX-SFHVURJKSA-N 0 1 293.426 3.840 20 0 CHADMN CCC[C@@H](O)CCN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000927019238 1128208056 /nfs/dbraw/zinc/20/80/56/1128208056.db2.gz DJWDRAJUOFQAHM-MJGOQNOKSA-N 0 1 298.430 3.620 20 0 CHADMN C[C@@H](N[C@H]1CCCc2cccnc21)c1cnn(C2CCC2)c1 ZINC000927062665 1128213516 /nfs/dbraw/zinc/21/35/16/1128213516.db2.gz NTVDGLIYUVGKAN-DYVFJYSZSA-N 0 1 296.418 3.731 20 0 CHADMN COc1ccc([C@@H](N[C@H](C)c2cn(C)cn2)C2CCC2)cc1 ZINC000927065761 1128214394 /nfs/dbraw/zinc/21/43/94/1128214394.db2.gz IIHDQYVBUSGUFN-ACJLOTCBSA-N 0 1 299.418 3.621 20 0 CHADMN COC[C@H](N[C@@H](C)c1ncc(-c2ccccc2)o1)C(C)C ZINC000542527105 1128214695 /nfs/dbraw/zinc/21/46/95/1128214695.db2.gz ZHIFRQWVNMKPRJ-ZFWWWQNUSA-N 0 1 288.391 3.663 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1cc2cnccc2o1)c1cnn(C)c1 ZINC000927066923 1128215199 /nfs/dbraw/zinc/21/51/99/1128215199.db2.gz PDFBEJVEPMMHFN-SJCJKPOMSA-N 0 1 298.390 3.609 20 0 CHADMN CCOc1c(Cl)cccc1CN(C)CCSC ZINC000494942725 1128215340 /nfs/dbraw/zinc/21/53/40/1128215340.db2.gz YWOPCUKVJCKDAP-UHFFFAOYSA-N 0 1 273.829 3.534 20 0 CHADMN C[C@H](NCc1cccc2c1OCC2)c1ccc2c(c1)COC2 ZINC000927090137 1128216289 /nfs/dbraw/zinc/21/62/89/1128216289.db2.gz IONZOPPYFBNHCZ-ZDUSSCGKSA-N 0 1 295.382 3.503 20 0 CHADMN Cc1c([C@@H](C)NCc2cccc3c2OCC3)cnn1C(C)C ZINC000927091485 1128216369 /nfs/dbraw/zinc/21/63/69/1128216369.db2.gz PWDGMEHVRDDHPP-CYBMUJFWSA-N 0 1 299.418 3.558 20 0 CHADMN CCc1onc(C)c1CN[C@@H]1CCSc2ccccc21 ZINC000927136274 1128221580 /nfs/dbraw/zinc/22/15/80/1128221580.db2.gz CDDMISXYLJTWRQ-CQSZACIVSA-N 0 1 288.416 3.872 20 0 CHADMN CCc1onc(C)c1CN[C@@H]1CCc2c1cccc2C ZINC000927139131 1128221608 /nfs/dbraw/zinc/22/16/08/1128221608.db2.gz GYYWWSBJNXDMBZ-MRXNPFEDSA-N 0 1 270.376 3.631 20 0 CHADMN CCC[C@@H](C)N(C)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000495050614 1128226004 /nfs/dbraw/zinc/22/60/04/1128226004.db2.gz UFTZABRSXUHMGY-CQSZACIVSA-N 0 1 299.418 3.954 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2n[nH]c(C(C)(C)C)n2)C1 ZINC000433189997 1128226204 /nfs/dbraw/zinc/22/62/04/1128226204.db2.gz GLTVBMMYABHNFU-HIFRSBDPSA-N 0 1 298.434 3.685 20 0 CHADMN CN(C/C=C\c1ccncc1)Cc1ccc(Cl)s1 ZINC000495079736 1128228793 /nfs/dbraw/zinc/22/87/93/1128228793.db2.gz PFZDUWCNMQMTFC-IHWYPQMZSA-N 0 1 278.808 3.942 20 0 CHADMN CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1[nH]c(C)nc1C ZINC000929273187 1128267296 /nfs/dbraw/zinc/26/72/96/1128267296.db2.gz ANVBARRVFLATQX-CQSZACIVSA-N 0 1 275.421 3.597 20 0 CHADMN CC[C@@H]1c2ccsc2CCN1Cc1[nH]c(C)nc1C ZINC000929273187 1128267299 /nfs/dbraw/zinc/26/72/99/1128267299.db2.gz ANVBARRVFLATQX-CQSZACIVSA-N 0 1 275.421 3.597 20 0 CHADMN CCCC(CCC)N[C@H](C(=O)OCC)[C@@H](C)CC ZINC001257329814 1128239428 /nfs/dbraw/zinc/23/94/28/1128239428.db2.gz OIZWFYHUHQMQMP-JSGCOSHPSA-N 0 1 257.418 3.523 20 0 CHADMN Cc1nc(C)c(CN(C)[C@@H](C)c2ccccc2C)[nH]1 ZINC000929325280 1128270360 /nfs/dbraw/zinc/27/03/60/1128270360.db2.gz IFWOOMZJQGIGRI-ZDUSSCGKSA-N 0 1 257.381 3.528 20 0 CHADMN C[C@H]1CN(CCCC(C)(F)F)C[C@H](c2ccccc2)O1 ZINC000929345773 1128271271 /nfs/dbraw/zinc/27/12/71/1128271271.db2.gz UHYJIQMQQNOQLA-DZGCQCFKSA-N 0 1 283.362 3.884 20 0 CHADMN c1nn(-c2ccncc2)cc1NC(C1CCC1)C1CCC1 ZINC000670156322 1128271494 /nfs/dbraw/zinc/27/14/94/1128271494.db2.gz BEKHSAYRXSFMFR-UHFFFAOYSA-N 0 1 282.391 3.648 20 0 CHADMN C[C@H](c1ncccn1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000929488286 1128275056 /nfs/dbraw/zinc/27/50/56/1128275056.db2.gz AZQHCRLTLHJNGX-NVXWUHKLSA-N 0 1 281.403 3.807 20 0 CHADMN Cc1noc(C)c1CN(C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000777798662 1128276870 /nfs/dbraw/zinc/27/68/70/1128276870.db2.gz LQLCTHPKHJAEGB-ZDUSSCGKSA-N 0 1 284.403 3.973 20 0 CHADMN Cc1nnsc1[C@@H](C)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000929647343 1128280380 /nfs/dbraw/zinc/28/03/80/1128280380.db2.gz IDTILHQTLODQGC-HIFRSBDPSA-N 0 1 277.437 3.730 20 0 CHADMN Cc1cc(CN(Cc2ccc(C)c(C)c2)C2CC2)c(C)nn1 ZINC000929696755 1128282655 /nfs/dbraw/zinc/28/26/55/1128282655.db2.gz ORFAVMYTWFYYFP-UHFFFAOYSA-N 0 1 295.430 3.875 20 0 CHADMN Cc1cc(CN2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c(C)nn1 ZINC000929720840 1128283349 /nfs/dbraw/zinc/28/33/49/1128283349.db2.gz SMBWATMWYZMMTC-KPZWWZAWSA-N 0 1 299.393 3.816 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2cc(C)nnc2C)o1 ZINC000929760649 1128284796 /nfs/dbraw/zinc/28/47/96/1128284796.db2.gz VHPBDBKJRGNOCF-SJCJKPOMSA-N 0 1 299.418 3.968 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1Cc1coc(C(C)(C)C)n1 ZINC000929762590 1128285760 /nfs/dbraw/zinc/28/57/60/1128285760.db2.gz GHOLZTXFNXQECM-YPMHNXCESA-N 0 1 250.386 3.593 20 0 CHADMN CCc1ncc(CN[C@H](c2ccc(F)cc2)C(C)C)o1 ZINC000929860107 1128291038 /nfs/dbraw/zinc/29/10/38/1128291038.db2.gz AUWRMWVXLPXBGS-INIZCTEOSA-N 0 1 276.355 3.863 20 0 CHADMN CCc1ncc(CN[C@@H](c2ccc(F)cc2)C(C)C)o1 ZINC000929860108 1128291342 /nfs/dbraw/zinc/29/13/42/1128291342.db2.gz AUWRMWVXLPXBGS-MRXNPFEDSA-N 0 1 276.355 3.863 20 0 CHADMN CC(C)[C@@H](C)N(C)Cn1ccn(C(C)C)c1=S ZINC000915208557 1128291527 /nfs/dbraw/zinc/29/15/27/1128291527.db2.gz GFAIWTNKRGVSNF-GFCCVEGCSA-N 0 1 255.431 3.534 20 0 CHADMN CCc1onc(C)c1CN[C@@]1(C)CCCc2ccccc21 ZINC000929970521 1128296483 /nfs/dbraw/zinc/29/64/83/1128296483.db2.gz CHXACNVQVSDUKD-SFHVURJKSA-N 0 1 284.403 3.887 20 0 CHADMN Cc1nnsc1[C@H](C)N[C@H](C)c1ccccc1C ZINC000930184382 1128304886 /nfs/dbraw/zinc/30/48/86/1128304886.db2.gz NCZWYHBOAZJTHA-MNOVXSKESA-N 0 1 261.394 3.567 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@H](C)c2snnc2C)cc1 ZINC000930187900 1128305566 /nfs/dbraw/zinc/30/55/66/1128305566.db2.gz RNNNNDHTMICBPM-GHMZBOCLSA-N 0 1 291.420 3.657 20 0 CHADMN Cc1cn(C)nc1CN[C@@H](c1cccc(C)c1)C(C)(C)C ZINC000930228449 1128309212 /nfs/dbraw/zinc/30/92/12/1128309212.db2.gz JVQSDADTMQYYNZ-KRWDZBQOSA-N 0 1 285.435 3.914 20 0 CHADMN Cc1nc2c(s1)C[N@@H+]([C@H](C)Cc1cccc(F)c1)CC2 ZINC001168491972 1128309595 /nfs/dbraw/zinc/30/95/95/1128309595.db2.gz OJGKKKFQMIYSPG-LLVKDONJSA-N 0 1 290.407 3.580 20 0 CHADMN C[C@@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H](C)[C@H](C)O1 ZINC000930252097 1128311233 /nfs/dbraw/zinc/31/12/33/1128311233.db2.gz OSMLGWABFYDNRE-YCLREWFLSA-N 0 1 295.373 3.533 20 0 CHADMN Cc1cc(C)c(NC(=O)c2cc(Cl)ccc2O)cc1O ZINC000762686705 1128314560 /nfs/dbraw/zinc/31/45/60/1128314560.db2.gz GFJLOYVVSDIIQW-UHFFFAOYSA-N 0 1 291.734 3.620 20 0 CHADMN Cc1cc(C)c(NC(=O)c2c(O)cccc2Cl)cc1O ZINC000762686726 1128314631 /nfs/dbraw/zinc/31/46/31/1128314631.db2.gz GSAKKIPQRNNYPV-UHFFFAOYSA-N 0 1 291.734 3.620 20 0 CHADMN CCCN(Cc1coc(-c2cccs2)n1)C1CC1 ZINC000171681533 1128314884 /nfs/dbraw/zinc/31/48/84/1128314884.db2.gz BWINODVZEUKEBT-UHFFFAOYSA-N 0 1 262.378 3.778 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)c2cccc(O)c2)c1 ZINC000237529256 1128322487 /nfs/dbraw/zinc/32/24/87/1128322487.db2.gz VMWUSECJBYMNOD-OLZOCXBDSA-N 0 1 298.386 3.762 20 0 CHADMN CCc1onc(C)c1CN1CCC[C@H](CC(F)(F)F)C1 ZINC000930751005 1128333793 /nfs/dbraw/zinc/33/37/93/1128333793.db2.gz WMOGGWIMZDNMNB-LLVKDONJSA-N 0 1 290.329 3.710 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cc4ccccc4o3)[nH]c2c1 ZINC000561522490 1128334581 /nfs/dbraw/zinc/33/45/81/1128334581.db2.gz HZIJVXZOPDBBTR-UHFFFAOYSA-N 0 1 291.310 3.870 20 0 CHADMN CC(C)O[C@H]1C[C@H](NCc2coc(C(C)(C)C)n2)C1(C)C ZINC000930627106 1128328128 /nfs/dbraw/zinc/32/81/28/1128328128.db2.gz CKGQHJILZDEZFZ-KBPBESRZSA-N 0 1 294.439 3.654 20 0 CHADMN Cc1ncc(CSc2nc(Cc3ccccc3)c(C)[nH]2)o1 ZINC000915512284 1128328214 /nfs/dbraw/zinc/32/82/14/1128328214.db2.gz JXZAGODNJAZOFB-UHFFFAOYSA-N 0 1 299.399 3.898 20 0 CHADMN CC1(NC(=O)c2cccc3nc(C(F)F)[nH]c32)CCCC1 ZINC000930702369 1128331071 /nfs/dbraw/zinc/33/10/71/1128331071.db2.gz OCAVJKMWTNIVIR-UHFFFAOYSA-N 0 1 293.317 3.563 20 0 CHADMN CCc1ncc(CN(C2CC2)[C@@H]2CCc3ccccc32)o1 ZINC000929890105 1128331211 /nfs/dbraw/zinc/33/12/11/1128331211.db2.gz ODEPZTDJTVYYNB-QGZVFWFLSA-N 0 1 282.387 3.889 20 0 CHADMN CC(C)(C)C[C@@H]1CCN(Cc2nncs2)C1(C)C ZINC000930729596 1128332972 /nfs/dbraw/zinc/33/29/72/1128332972.db2.gz NBRDXVQJDLACCQ-NSHDSACASA-N 0 1 267.442 3.575 20 0 CHADMN CCc1ncc(C[N@@H+](C)[C@H](C)CSc2ccccc2)o1 ZINC000930847578 1128337542 /nfs/dbraw/zinc/33/75/42/1128337542.db2.gz WBUWVMXNMJXILO-CYBMUJFWSA-N 0 1 290.432 3.850 20 0 CHADMN CCc1ncc(CN(C)[C@H](C)CSc2ccccc2)o1 ZINC000930847578 1128337545 /nfs/dbraw/zinc/33/75/45/1128337545.db2.gz WBUWVMXNMJXILO-CYBMUJFWSA-N 0 1 290.432 3.850 20 0 CHADMN ClC1=CCC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000930839966 1128337833 /nfs/dbraw/zinc/33/78/33/1128337833.db2.gz XJCIIMZYCMEPCU-UHFFFAOYSA-N 0 1 277.795 3.563 20 0 CHADMN ClC1=CCCN(C2CC(OCc3ccccc3)C2)C1 ZINC000930839966 1128337836 /nfs/dbraw/zinc/33/78/36/1128337836.db2.gz XJCIIMZYCMEPCU-UHFFFAOYSA-N 0 1 277.795 3.563 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CCC([C@@H]2CCCCO2)CC1 ZINC000931025749 1128344452 /nfs/dbraw/zinc/34/44/52/1128344452.db2.gz LBAHJTLWBWOBDT-BBRMVZONSA-N 0 1 292.398 3.563 20 0 CHADMN CC(C)CC1(NCc2coc(C(C)(C)C)n2)CC1 ZINC000931061442 1128346076 /nfs/dbraw/zinc/34/60/76/1128346076.db2.gz HEYMYXZEQJZKQQ-UHFFFAOYSA-N 0 1 250.386 3.640 20 0 CHADMN CN(C)Cc1ccc(NC(=O)C(F)=C2CCCC2)cc1F ZINC000763067237 1128349802 /nfs/dbraw/zinc/34/98/02/1128349802.db2.gz ZAGKQZZPKHUAPA-UHFFFAOYSA-N 0 1 294.345 3.623 20 0 CHADMN CON(Cc1cnc[nH]1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000932541135 1128414078 /nfs/dbraw/zinc/41/40/78/1128414078.db2.gz VWSPJWQPCMJGQQ-SNVBAGLBSA-N 0 1 299.296 3.553 20 0 CHADMN C[C@H](c1ncccn1)N(C)C[C@@H](C)C1CCCCC1 ZINC000931256500 1128354196 /nfs/dbraw/zinc/35/41/96/1128354196.db2.gz MCZLJDQNFMOMGY-ZIAGYGMSSA-N 0 1 261.413 3.686 20 0 CHADMN c1c2ccccc2n2c1CN([C@@H]1C=CCCC1)CCC2 ZINC000561955433 1128364650 /nfs/dbraw/zinc/36/46/50/1128364650.db2.gz NHPNVRCEMVDDDK-MRXNPFEDSA-N 0 1 266.388 3.956 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)CCC(=O)OC(C)(C)C ZINC000055059139 1128366223 /nfs/dbraw/zinc/36/62/23/1128366223.db2.gz PTXQLXWOYOYMHS-NSHDSACASA-N 0 1 299.361 3.689 20 0 CHADMN CCCCCC[C@@H](C)CC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000763199520 1128373562 /nfs/dbraw/zinc/37/35/62/1128373562.db2.gz CLKZZUAJOOAKFY-CHWSQXEVSA-N 0 1 294.443 3.541 20 0 CHADMN CCN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)C(C)C ZINC000194416213 1128378083 /nfs/dbraw/zinc/37/80/83/1128378083.db2.gz OBDYUKSAXJNMMH-UHFFFAOYSA-N 0 1 291.782 3.601 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(C)cc(C)n2)cc1C ZINC000932570581 1128415911 /nfs/dbraw/zinc/41/59/11/1128415911.db2.gz FYAFISXRELDDBE-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN C[C@H](CN1CCSC[C@@H]1c1nccs1)C(C)(C)C ZINC000670269326 1128380559 /nfs/dbraw/zinc/38/05/59/1128380559.db2.gz RQABHCPJFMXFIU-VXGBXAGGSA-N 0 1 284.494 3.915 20 0 CHADMN CCn1nc(CN2CC3(CCC3)[C@@H]2C2CC2)c2ccccc21 ZINC000562204805 1128385513 /nfs/dbraw/zinc/38/55/13/1128385513.db2.gz KRJYGZTYNSNGJJ-SFHVURJKSA-N 0 1 295.430 3.821 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@H]2CCCc3ccc(O)cc32)cn1 ZINC000562280649 1128392936 /nfs/dbraw/zinc/39/29/36/1128392936.db2.gz JIQPQHHFAJBCLL-UGSOOPFHSA-N 0 1 299.418 3.898 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1nc(C)ccc1C ZINC001203524387 1128393400 /nfs/dbraw/zinc/39/34/00/1128393400.db2.gz YWONFKUZNJZBEV-UHFFFAOYSA-N 0 1 279.343 3.999 20 0 CHADMN CCS[C@@H](C)c1noc(CN[C@@H]2CC3CCC2CC3)n1 ZINC000562414269 1128401509 /nfs/dbraw/zinc/40/15/09/1128401509.db2.gz PKDSRQHSBXTKBT-YWPUVAFDSA-N 0 1 295.452 3.552 20 0 CHADMN COC(C)(C)[C@@H](C)NCc1csc(-c2ccc(C)o2)n1 ZINC000932367841 1128405387 /nfs/dbraw/zinc/40/53/87/1128405387.db2.gz AKJBYKQNHDGILG-LLVKDONJSA-N 0 1 294.420 3.615 20 0 CHADMN c1cnc([C@@H](NCCSC2CCCCC2)C2CC2)nc1 ZINC000932356650 1128405768 /nfs/dbraw/zinc/40/57/68/1128405768.db2.gz QVLSCUVUNVPIHZ-HNNXBMFYSA-N 0 1 291.464 3.583 20 0 CHADMN Cc1cc(CN(Cc2cccc(F)c2)C2CCC2)c(C)nn1 ZINC000932402820 1128407935 /nfs/dbraw/zinc/40/79/35/1128407935.db2.gz NDGQPWAOYCDYQU-UHFFFAOYSA-N 0 1 299.393 3.787 20 0 CHADMN CC(C)CN(Cc1cncc(Cl)c1)Cc1ccccn1 ZINC000932448264 1128410905 /nfs/dbraw/zinc/41/09/05/1128410905.db2.gz ORYVEQCNXHKPAY-UHFFFAOYSA-N 0 1 289.810 3.788 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(Cl)s1 ZINC000124328128 1128443342 /nfs/dbraw/zinc/44/33/42/1128443342.db2.gz FEIQJSOGEOWQSV-NEPJUHHUSA-N 0 1 287.856 3.917 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(C)cc2)c(F)c1 ZINC000037214556 1128423123 /nfs/dbraw/zinc/42/31/23/1128423123.db2.gz CQUQCRXWGHDMRV-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN CC(C)(C)c1n[nH]c(SC[C@@H]2CCC3(CCC3)CO2)n1 ZINC000916544288 1128424034 /nfs/dbraw/zinc/42/40/34/1128424034.db2.gz JOXKCPJZJLQMFR-NSHDSACASA-N 0 1 295.452 3.544 20 0 CHADMN CC(C)(C)c1nc(SC[C@@H]2CCC3(CCC3)CO2)n[nH]1 ZINC000916544288 1128424036 /nfs/dbraw/zinc/42/40/36/1128424036.db2.gz JOXKCPJZJLQMFR-NSHDSACASA-N 0 1 295.452 3.544 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)NCc1ccc(F)nc1 ZINC000778158989 1128432613 /nfs/dbraw/zinc/43/26/13/1128432613.db2.gz SQYLUOPAXSFIHQ-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN Fc1ccc(C2(NCc3ccc(F)nc3)CCC2)cc1 ZINC000778165655 1128434242 /nfs/dbraw/zinc/43/42/42/1128434242.db2.gz OJIFKPOATTZSIM-UHFFFAOYSA-N 0 1 274.314 3.529 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1ccc(C)nc1 ZINC000062051354 1128434911 /nfs/dbraw/zinc/43/49/11/1128434911.db2.gz HSXZISYXFKWGBO-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN COc1ccc([C@@H](C)NCc2cnc(Cl)s2)cc1C ZINC000933486817 1128436492 /nfs/dbraw/zinc/43/64/92/1128436492.db2.gz XUCHMJQNSLOXIN-SNVBAGLBSA-N 0 1 296.823 3.964 20 0 CHADMN C[C@@H](CC(=O)Nc1cc(F)cc(Cl)c1O)C(F)(F)F ZINC000626488294 1128437583 /nfs/dbraw/zinc/43/75/83/1128437583.db2.gz LEORQRHXSROJFE-YFKPBYRVSA-N 0 1 299.651 3.712 20 0 CHADMN CSCc1cc(F)ccc1CNCc1ccc(F)nc1 ZINC000778176228 1128438424 /nfs/dbraw/zinc/43/84/24/1128438424.db2.gz HBGGIOOBEQMZFZ-UHFFFAOYSA-N 0 1 294.370 3.513 20 0 CHADMN CCn1nc(C)c(CNCc2cc(Cl)cs2)c1C ZINC000562923449 1128440486 /nfs/dbraw/zinc/44/04/86/1128440486.db2.gz QOROJZQVYJBCEP-UHFFFAOYSA-N 0 1 283.828 3.525 20 0 CHADMN CC(C)[N@@H+](Cc1cnccn1)[C@@H](C)c1ccsc1 ZINC000562939896 1128442055 /nfs/dbraw/zinc/44/20/55/1128442055.db2.gz IUQQWJXGSOYDHH-LBPRGKRZSA-N 0 1 261.394 3.510 20 0 CHADMN CC(C)N(Cc1cnccn1)[C@@H](C)c1ccsc1 ZINC000562939896 1128442057 /nfs/dbraw/zinc/44/20/57/1128442057.db2.gz IUQQWJXGSOYDHH-LBPRGKRZSA-N 0 1 261.394 3.510 20 0 CHADMN Cc1cnn(CCN[C@H](C)c2cccc(Cl)c2Cl)c1 ZINC000124120986 1128442245 /nfs/dbraw/zinc/44/22/45/1128442245.db2.gz BPOZQORSXINZEC-LLVKDONJSA-N 0 1 298.217 3.849 20 0 CHADMN CC[C@H]1CCN(Cc2nc(-c3cccs3)oc2C)C1 ZINC000125347345 1128449280 /nfs/dbraw/zinc/44/92/80/1128449280.db2.gz YRMLYUQUMZHRJU-LBPRGKRZSA-N 0 1 276.405 3.943 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2sccc2Br)C1 ZINC000125703029 1128451919 /nfs/dbraw/zinc/45/19/19/1128451919.db2.gz HCMIACFZWPDKGW-BDAKNGLRSA-N 0 1 274.227 3.741 20 0 CHADMN CCn1cc(CN[C@@H](C)c2c(C)oc3ccccc32)cn1 ZINC000925430880 1128454137 /nfs/dbraw/zinc/45/41/37/1128454137.db2.gz YQQRXAWBTIVEOR-LBPRGKRZSA-N 0 1 283.375 3.808 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cccc3c2OCO3)cc1 ZINC000125806900 1128454167 /nfs/dbraw/zinc/45/41/67/1128454167.db2.gz ALXUQAQRWGNJKX-ZDUSSCGKSA-N 0 1 299.370 3.617 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000563124716 1128451094 /nfs/dbraw/zinc/45/10/94/1128451094.db2.gz LCNXJUGIBMHAKV-GLJUWKHASA-N 0 1 297.398 3.943 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Oc1ccccc1C ZINC000916852319 1128459345 /nfs/dbraw/zinc/45/93/45/1128459345.db2.gz KPIDIMWYBNXLJN-UHFFFAOYSA-N 0 1 292.338 3.913 20 0 CHADMN COc1ccccc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000126243941 1128462439 /nfs/dbraw/zinc/46/24/39/1128462439.db2.gz JSLYMBYWDSRYSI-UHFFFAOYSA-N 0 1 273.401 3.921 20 0 CHADMN COc1ccccc1CN(Cc1cccs1)C1CC1 ZINC000126243941 1128462441 /nfs/dbraw/zinc/46/24/41/1128462441.db2.gz JSLYMBYWDSRYSI-UHFFFAOYSA-N 0 1 273.401 3.921 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)C[C@@H](O)c1cccc(F)c1 ZINC000917012772 1128468025 /nfs/dbraw/zinc/46/80/25/1128468025.db2.gz DGOQQTZVTIYXTE-YVEFUNNKSA-N 0 1 291.341 3.691 20 0 CHADMN NC1(c2noc(/C=C\c3ccc(Cl)s3)n2)CCCC1 ZINC000563716462 1128476026 /nfs/dbraw/zinc/47/60/26/1128476026.db2.gz VRDBJASUYPZNEV-XQRVVYSFSA-N 0 1 295.795 3.683 20 0 CHADMN C[C@H](N[C@H]1C[C@@H]1C(F)F)c1nc2ccc(Cl)cc2n1C ZINC000563738475 1128476779 /nfs/dbraw/zinc/47/67/79/1128476779.db2.gz KJEGUNMLKHVRMG-ARENWVFISA-N 0 1 299.752 3.531 20 0 CHADMN CC(C)c1noc(CN2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000066898046 1128478677 /nfs/dbraw/zinc/47/86/77/1128478677.db2.gz FDTNWOAWRXPNSR-MRXNPFEDSA-N 0 1 299.418 3.963 20 0 CHADMN FC(F)Oc1ccc(CNCc2ccoc2)cc1Cl ZINC000067121031 1128480951 /nfs/dbraw/zinc/48/09/51/1128480951.db2.gz HTOYREPAMGSWMQ-UHFFFAOYSA-N 0 1 287.693 3.824 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000563816864 1128481008 /nfs/dbraw/zinc/48/10/08/1128481008.db2.gz ROLORDDVORJCQC-ZIAGYGMSSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@H]1C[C@H](C)CCN(Cc2nc(Cc3ccccc3)no2)C1 ZINC000127807835 1128482838 /nfs/dbraw/zinc/48/28/38/1128482838.db2.gz OPTDRHBDFOMZBG-HUUCEWRRSA-N 0 1 299.418 3.528 20 0 CHADMN C[C@@H](c1ccncc1)N(C)Cc1cccc(Cl)c1 ZINC000067715601 1128487119 /nfs/dbraw/zinc/48/71/19/1128487119.db2.gz RADRSHANJHVABR-LBPRGKRZSA-N 0 1 260.768 3.928 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)Cc1n[nH]c2ccccc21 ZINC000128342435 1128492723 /nfs/dbraw/zinc/49/27/23/1128492723.db2.gz GSWYHMGGTMRIBZ-UHFFFAOYSA-N 0 1 299.761 3.706 20 0 CHADMN C[C@H](c1ccccc1)[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000564210072 1128498912 /nfs/dbraw/zinc/49/89/12/1128498912.db2.gz QNXXPRXQLYPCKW-OLMNPRSZSA-N 0 1 295.382 3.548 20 0 CHADMN Cc1cc(C)nc(CN[C@H](c2ncccc2C)C(C)C)c1 ZINC000929983864 1128501177 /nfs/dbraw/zinc/50/11/77/1128501177.db2.gz IWRPRTXIOHWLMF-KRWDZBQOSA-N 0 1 283.419 3.889 20 0 CHADMN Cc1cccc([C@H](C)[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000567087444 1128557784 /nfs/dbraw/zinc/55/77/84/1128557784.db2.gz WGQSHQYSBKYZFL-XJKSGUPXSA-N 0 1 289.810 3.853 20 0 CHADMN CC[C@@H](C)N(C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000068451103 1128511429 /nfs/dbraw/zinc/51/14/29/1128511429.db2.gz XUXVEJVALGHZLB-LLVKDONJSA-N 0 1 262.328 3.711 20 0 CHADMN CC[C@@H](C)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000068449898 1128511528 /nfs/dbraw/zinc/51/15/28/1128511528.db2.gz YWDUUYCMESFYAX-SECBINFHSA-N 0 1 289.206 3.662 20 0 CHADMN CC(C)C[C@@H]1CC[N@@H+](CC[C@H](C(=O)[O-])c2ccccc2)C1 ZINC000567116803 1128558463 /nfs/dbraw/zinc/55/84/63/1128558463.db2.gz NAFJYIAXUIIXDO-RDJZCZTQSA-N 0 1 289.419 3.613 20 0 CHADMN CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000565101868 1128520148 /nfs/dbraw/zinc/52/01/48/1128520148.db2.gz ZZXIVFHXSARCAH-AWEZNQCLSA-N 0 1 293.382 3.925 20 0 CHADMN CC(C)CCc1ccc(NC(=O)[C@H](C)Cc2cnc[nH]2)cc1 ZINC000565176606 1128521333 /nfs/dbraw/zinc/52/13/33/1128521333.db2.gz GXIDYOWDGIYXCH-CQSZACIVSA-N 0 1 299.418 3.816 20 0 CHADMN Cc1noc([C@H](C)[N@@H+](C)C[C@H]2CCCC(C)(C)C2)n1 ZINC000565230379 1128522225 /nfs/dbraw/zinc/52/22/25/1128522225.db2.gz RCGNEYMEEAEREP-AAEUAGOBSA-N 0 1 265.401 3.587 20 0 CHADMN Cc1noc([C@H](C)N(C)C[C@H]2CCCC(C)(C)C2)n1 ZINC000565230379 1128522226 /nfs/dbraw/zinc/52/22/26/1128522226.db2.gz RCGNEYMEEAEREP-AAEUAGOBSA-N 0 1 265.401 3.587 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000565256222 1128523060 /nfs/dbraw/zinc/52/30/60/1128523060.db2.gz XBFBUUMMHSNFQO-CVEARBPZSA-N 0 1 287.403 3.509 20 0 CHADMN C[C@H](N[C@@H]1CO[C@H](C)C1)c1csc(-c2ccccc2)n1 ZINC000565303424 1128523795 /nfs/dbraw/zinc/52/37/95/1128523795.db2.gz OAGSYVUVQQEFBR-DYEKYZERSA-N 0 1 288.416 3.638 20 0 CHADMN Cc1cc(C)c([C@H](C)NCc2ncccc2N(C)C)cc1C ZINC000565626121 1128529671 /nfs/dbraw/zinc/52/96/71/1128529671.db2.gz NQSRLIDADZDVLD-INIZCTEOSA-N 0 1 297.446 3.924 20 0 CHADMN CCN(Cc1noc(-c2ccccc2C)n1)[C@@H](C)C(C)C ZINC000129065234 1128529781 /nfs/dbraw/zinc/52/97/81/1128529781.db2.gz XGXRUHJSBNGPAY-AWEZNQCLSA-N 0 1 287.407 3.911 20 0 CHADMN Cc1ccc([C@H]2CSCC[N@H+]2Cc2ccncc2C)cc1 ZINC000565697353 1128531227 /nfs/dbraw/zinc/53/12/27/1128531227.db2.gz SMMGJQCBKUZIAE-GOSISDBHSA-N 0 1 298.455 3.989 20 0 CHADMN Cc1ccc([C@H]2CSCCN2Cc2ccncc2C)cc1 ZINC000565697353 1128531231 /nfs/dbraw/zinc/53/12/31/1128531231.db2.gz SMMGJQCBKUZIAE-GOSISDBHSA-N 0 1 298.455 3.989 20 0 CHADMN CCCN(C)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000069092528 1128534275 /nfs/dbraw/zinc/53/42/75/1128534275.db2.gz MBNWUUBZKSXAEM-UHFFFAOYSA-N 0 1 264.756 3.837 20 0 CHADMN CCCN(C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000069092563 1128534576 /nfs/dbraw/zinc/53/45/76/1128534576.db2.gz BKKKTWWZZFEFMV-UHFFFAOYSA-N 0 1 282.387 3.634 20 0 CHADMN CC(C)SCC[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000566022049 1128536895 /nfs/dbraw/zinc/53/68/95/1128536895.db2.gz PFPHDPDWIVJYPO-OAHLLOKOSA-N 0 1 267.413 3.699 20 0 CHADMN CC(C)SCCN1CC[C@](F)(c2ccccc2)C1 ZINC000566022049 1128536896 /nfs/dbraw/zinc/53/68/96/1128536896.db2.gz PFPHDPDWIVJYPO-OAHLLOKOSA-N 0 1 267.413 3.699 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])c(C)o1 ZINC000566073994 1128538247 /nfs/dbraw/zinc/53/82/47/1128538247.db2.gz KSXAYVLFXRQQSF-IAQYHMDHSA-N 0 1 279.380 3.687 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000566363647 1128542413 /nfs/dbraw/zinc/54/24/13/1128542413.db2.gz QSPZSUHHDGQNOD-RHSMWYFYSA-N 0 1 289.419 3.828 20 0 CHADMN CC(C)c1nc(CN2CCC[C@@H]2C(F)F)c2ccccn21 ZINC000566337937 1128542920 /nfs/dbraw/zinc/54/29/20/1128542920.db2.gz IVJKSNRRFCMNIY-CQSZACIVSA-N 0 1 293.361 3.687 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N[C@H]2CCC2(C)C)n1 ZINC000566429766 1128543942 /nfs/dbraw/zinc/54/39/42/1128543942.db2.gz ZMNFWELFFRYSEF-JSGCOSHPSA-N 0 1 285.391 3.884 20 0 CHADMN Cc1nc2cc(N[C@H]3CS[C@H](C(C)C)C3)ccc2n1C ZINC000566538202 1128546755 /nfs/dbraw/zinc/54/67/55/1128546755.db2.gz ZIUPFAFPUYMIPC-CJNGLKHVSA-N 0 1 289.448 3.824 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1cc(C(C)(C)C)on1 ZINC000566589993 1128547328 /nfs/dbraw/zinc/54/73/28/1128547328.db2.gz QPANYRULOAUOPC-AAEUAGOBSA-N 0 1 250.386 3.735 20 0 CHADMN Oc1cccc(CNCc2ccc(-c3ccccc3)o2)c1 ZINC000069783640 1128550600 /nfs/dbraw/zinc/55/06/00/1128550600.db2.gz HDPVTMVDZUVZFW-UHFFFAOYSA-N 0 1 279.339 3.942 20 0 CHADMN CCc1nc([C@H](C)N[C@H](C)c2cccc(C3CC3)c2)n[nH]1 ZINC000556120278 1128550761 /nfs/dbraw/zinc/55/07/61/1128550761.db2.gz NMLLXTVUBCSAAW-NEPJUHHUSA-N 0 1 284.407 3.656 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@@H+]1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000566920078 1128554232 /nfs/dbraw/zinc/55/42/32/1128554232.db2.gz FYVSPLQGXZPOPC-QGZVFWFLSA-N 0 1 287.403 3.646 20 0 CHADMN C[C@@H]1CC[N@@H+](CCCCCC(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000567055253 1128556950 /nfs/dbraw/zinc/55/69/50/1128556950.db2.gz ULNVBYIGBRVFFC-CXAGYDPISA-N 0 1 293.382 3.854 20 0 CHADMN C[C@H]1CN(Cc2ccc3c(n2)CCC3)[C@H]1c1ccccc1 ZINC000567447716 1128564743 /nfs/dbraw/zinc/56/47/43/1128564743.db2.gz FHQJOUZZDHLATN-IFXJQAMLSA-N 0 1 278.399 3.763 20 0 CHADMN CC1(C)CN(C/C=C\c2ccccc2)[C@@H]1[C@@H]1CCCO1 ZINC000567548707 1128567269 /nfs/dbraw/zinc/56/72/69/1128567269.db2.gz NNROGRHBOHXILW-IRMRGROASA-N 0 1 271.404 3.589 20 0 CHADMN C/C=C\c1ccc(NC(=O)Cc2n[nH]c3ccccc32)cc1 ZINC000567642118 1128569675 /nfs/dbraw/zinc/56/96/75/1128569675.db2.gz SUILDWBYZXELOU-DJWKRKHSSA-N 0 1 291.354 3.777 20 0 CHADMN CCC(CC)[C@H](C)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000498412060 1128572655 /nfs/dbraw/zinc/57/26/55/1128572655.db2.gz ZHBSANPQMPFISF-LBPRGKRZSA-N 0 1 287.407 3.560 20 0 CHADMN C[C@H]1CN(Cc2ccc3occc3c2)CC2(CCC2)O1 ZINC000567905168 1128573844 /nfs/dbraw/zinc/57/38/44/1128573844.db2.gz IBOOYLRAVLYXBE-ZDUSSCGKSA-N 0 1 271.360 3.576 20 0 CHADMN c1ccc2c(c1)COC[C@@H]2NCc1ccnc2ccccc12 ZINC000567926872 1128574465 /nfs/dbraw/zinc/57/44/65/1128574465.db2.gz SYHDFBWJDIWLIB-IBGZPJMESA-N 0 1 290.366 3.596 20 0 CHADMN C[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1(C)C ZINC000568066343 1128576769 /nfs/dbraw/zinc/57/67/69/1128576769.db2.gz XQJBHITZEGROCE-SMDDNHRTSA-N 0 1 295.810 3.834 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000568058146 1128577288 /nfs/dbraw/zinc/57/72/88/1128577288.db2.gz CINXZGFDUYFSQS-ZBFHGGJFSA-N 0 1 297.345 3.603 20 0 CHADMN CC(C)C[C@@H]1CCCN1CC(=O)Nc1ccccc1Cl ZINC000130338641 1128579241 /nfs/dbraw/zinc/57/92/41/1128579241.db2.gz IDGDIQGXSQFZLY-ZDUSSCGKSA-N 0 1 294.826 3.789 20 0 CHADMN C[C@@H]1CC[N@@H+](CCCCC(=O)[O-])CC12CCCCC2 ZINC000568281266 1128582220 /nfs/dbraw/zinc/58/22/20/1128582220.db2.gz FEMVQQURBGZVMG-CQSZACIVSA-N 0 1 267.413 3.534 20 0 CHADMN COCCN[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000568331665 1128582729 /nfs/dbraw/zinc/58/27/29/1128582729.db2.gz LIBWFAPMRXQAGL-ZDUSSCGKSA-N 0 1 274.191 3.681 20 0 CHADMN CC(C)C1CCC(CN2CCOC[C@H]2CC(F)F)CC1 ZINC000568444806 1128585049 /nfs/dbraw/zinc/58/50/49/1128585049.db2.gz BCUFPHXEMMKARO-YMAMQOFZSA-N 0 1 289.410 3.805 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1ccc2c(n1)CCC2 ZINC000568482310 1128586290 /nfs/dbraw/zinc/58/62/90/1128586290.db2.gz JJDVPWKYUBBKBS-IBGZPJMESA-N 0 1 278.399 3.656 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000568520826 1128586546 /nfs/dbraw/zinc/58/65/46/1128586546.db2.gz ANJSRRVVKNRAPT-GDBMZVCRSA-N 0 1 287.403 3.509 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C1(C2CCC2)CCC1 ZINC000568597480 1128588595 /nfs/dbraw/zinc/58/85/95/1128588595.db2.gz NZLKIWHCCUJZDG-UHFFFAOYSA-N 0 1 283.375 3.780 20 0 CHADMN CC(C)[C@H]1CCc2ccccc2[C@H]1NCc1cnccn1 ZINC000568841106 1128593021 /nfs/dbraw/zinc/59/30/21/1128593021.db2.gz IEJPZWHTXMAQCD-AEFFLSMTSA-N 0 1 281.403 3.526 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)[C@H](C(=O)[O-])C1 ZINC000570100617 1128616039 /nfs/dbraw/zinc/61/60/39/1128616039.db2.gz SCVJIFKBPYOTON-DYVFJYSZSA-N 0 1 287.403 3.639 20 0 CHADMN C[C@@H](N[C@H]1C=CCCCCC1)c1c(F)cncc1F ZINC000569712291 1128607822 /nfs/dbraw/zinc/60/78/22/1128607822.db2.gz BZPVFSJXOSUOHW-NEPJUHHUSA-N 0 1 266.335 3.899 20 0 CHADMN Fc1ccc(Cl)c(CN2CC[C@H](c3cccnc3)C2)c1 ZINC000569923701 1128612007 /nfs/dbraw/zinc/61/20/07/1128612007.db2.gz OZXTYUVPMWSTKN-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3ccc(Cl)cc32)n(C)n1 ZINC000569948670 1128612942 /nfs/dbraw/zinc/61/29/42/1128612942.db2.gz XBFXARPGSBIGQX-MRXNPFEDSA-N 0 1 289.810 3.549 20 0 CHADMN CC(C)(C)[C@H]1CCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000131572461 1128628527 /nfs/dbraw/zinc/62/85/27/1128628527.db2.gz MIWPUQUBYOUASE-NSHDSACASA-N 0 1 281.783 3.554 20 0 CHADMN CN(Cc1ccncc1F)[C@@H]1CCCc2ccccc21 ZINC000570640233 1128628721 /nfs/dbraw/zinc/62/87/21/1128628721.db2.gz YGLXLBLUVVERGL-QGZVFWFLSA-N 0 1 270.351 3.730 20 0 CHADMN CC1=CC[C@H](N[C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000556845873 1128628859 /nfs/dbraw/zinc/62/88/59/1128628859.db2.gz BERDQWWFJNPXBV-NEPJUHHUSA-N 0 1 263.385 3.517 20 0 CHADMN CCCC[C@H](CC)CN(C)[C@@H](C)c1nc(C)no1 ZINC000570980997 1128635330 /nfs/dbraw/zinc/63/53/30/1128635330.db2.gz AUBPMLQEIYXDOI-AAEUAGOBSA-N 0 1 253.390 3.587 20 0 CHADMN Cc1noc([C@H](C)N[C@H]2CC[C@](C)(c3ccccc3)C2)n1 ZINC000570795746 1128631910 /nfs/dbraw/zinc/63/19/10/1128631910.db2.gz ASUWCOUSYCETDQ-NUTKFTJISA-N 0 1 285.391 3.539 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](Cc1c(Cl)cccc1C(=O)[O-])C1CC1 ZINC000570808165 1128632926 /nfs/dbraw/zinc/63/29/26/1128632926.db2.gz DWZDXYRGRJIIRQ-JTQLQIEISA-N 0 1 293.794 3.801 20 0 CHADMN C[C@@H]1CCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)CC1 ZINC000570830118 1128632987 /nfs/dbraw/zinc/63/29/87/1128632987.db2.gz KULUPVPBTYJVLQ-CYBMUJFWSA-N 0 1 289.423 3.720 20 0 CHADMN Cc1ccc(OC(F)F)c(CN2CC=C(C)CC2)c1 ZINC000556901231 1128637137 /nfs/dbraw/zinc/63/71/37/1128637137.db2.gz MUMGJGSIHRUMPZ-UHFFFAOYSA-N 0 1 267.319 3.748 20 0 CHADMN CCC[N@@H+](CCCCCC(=O)[O-])Cc1ccc(C)cc1 ZINC000572049749 1128641788 /nfs/dbraw/zinc/64/17/88/1128641788.db2.gz XHNMARQCKWWCEQ-UHFFFAOYSA-N 0 1 277.408 3.852 20 0 CHADMN Cc1cc(F)ccc1-c1ccc(CN(C)[C@@H]2CCOC2)o1 ZINC000132099360 1128643133 /nfs/dbraw/zinc/64/31/33/1128643133.db2.gz SIKQBDKWSGCOED-CQSZACIVSA-N 0 1 289.350 3.615 20 0 CHADMN CC(C)C[C@@H]1CCCCC[N@H+]1CCCCCC(=O)[O-] ZINC000572169004 1128643319 /nfs/dbraw/zinc/64/33/19/1128643319.db2.gz UUFYRRXLRMDYHR-HNNXBMFYSA-N 0 1 269.429 3.922 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1CCC(C)=C(C)C1 ZINC000572844472 1128648284 /nfs/dbraw/zinc/64/82/84/1128648284.db2.gz JEEHTAOXMRKPQS-ZDUSSCGKSA-N 0 1 283.375 3.946 20 0 CHADMN CSc1ccc(CN(C)Cc2cccc(O)c2)s1 ZINC000572569163 1128646406 /nfs/dbraw/zinc/64/64/06/1128646406.db2.gz VVSZLAHJVSRCTQ-UHFFFAOYSA-N 0 1 279.430 3.808 20 0 CHADMN COCc1cccc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000572664379 1128646720 /nfs/dbraw/zinc/64/67/20/1128646720.db2.gz DDRPNBMABNNQNS-IBGZPJMESA-N 0 1 299.389 3.904 20 0 CHADMN COCc1cccc(CN2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000572664379 1128646723 /nfs/dbraw/zinc/64/67/23/1128646723.db2.gz DDRPNBMABNNQNS-IBGZPJMESA-N 0 1 299.389 3.904 20 0 CHADMN CN(CCOc1ccc2ccccc2c1)Cc1cccnc1 ZINC000132576925 1128655257 /nfs/dbraw/zinc/65/52/57/1128655257.db2.gz RUZIMXIWUNKTIS-UHFFFAOYSA-N 0 1 292.382 3.746 20 0 CHADMN C[C@@H]1CCCC[C@@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000573831992 1128658029 /nfs/dbraw/zinc/65/80/29/1128658029.db2.gz RDKAJRVDBVAJJF-PWSUYJOCSA-N 0 1 282.347 3.907 20 0 CHADMN CCc1ccc(C[N@@H+](C)[C@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000573855567 1128659106 /nfs/dbraw/zinc/65/91/06/1128659106.db2.gz MTMNZTSFKDYSPH-GFCCVEGCSA-N 0 1 287.359 3.733 20 0 CHADMN FC(F)(F)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000074251155 1128660673 /nfs/dbraw/zinc/66/06/73/1128660673.db2.gz LXFBZRJXGJNDDN-UHFFFAOYSA-N 0 1 293.701 3.780 20 0 CHADMN CC(C)CCN1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000499251437 1128665297 /nfs/dbraw/zinc/66/52/97/1128665297.db2.gz PEGQBIMLENTWOP-HNNXBMFYSA-N 0 1 299.361 3.707 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CC/C=C/c1ccccc1 ZINC000575188420 1128665898 /nfs/dbraw/zinc/66/58/98/1128665898.db2.gz XXJBMQKSSSGFGS-AYAUWGRQSA-N 0 1 275.392 3.521 20 0 CHADMN COc1cc(F)cc(CNCc2ccc(SC)s2)c1 ZINC000574122920 1128662286 /nfs/dbraw/zinc/66/22/86/1128662286.db2.gz ASAIVWRJVKATGF-UHFFFAOYSA-N 0 1 297.420 3.908 20 0 CHADMN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000047239504 1128668882 /nfs/dbraw/zinc/66/88/82/1128668882.db2.gz JCPCVKVIYZPDPW-ZIAGYGMSSA-N 0 1 290.363 3.537 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000578076535 1128705614 /nfs/dbraw/zinc/70/56/14/1128705614.db2.gz MQUAUAPWOXPRRE-AAEUAGOBSA-N 0 1 281.421 3.847 20 0 CHADMN CC[C@@H]1c2ccsc2CCN1Cc1oc(C)nc1C ZINC000683899363 1128707930 /nfs/dbraw/zinc/70/79/30/1128707930.db2.gz URQXRYIKFNUWHB-CYBMUJFWSA-N 0 1 276.405 3.862 20 0 CHADMN COC(=O)c1coc([C@@H](C)NCc2csc(C)c2C)c1 ZINC000601292693 1128708982 /nfs/dbraw/zinc/70/89/82/1128708982.db2.gz SNZFNLNCKUJAGU-SNVBAGLBSA-N 0 1 293.388 3.595 20 0 CHADMN c1nc2cc(-c3noc(C4=CCCCCC4)n3)ccc2[nH]1 ZINC000578399184 1128716759 /nfs/dbraw/zinc/71/67/59/1128716759.db2.gz FQLWOHGVVUCVOS-UHFFFAOYSA-N 0 1 280.331 3.960 20 0 CHADMN Cc1cnccc1CCN(C)Cc1cc(Cl)ccc1F ZINC000578501917 1128719282 /nfs/dbraw/zinc/71/92/82/1128719282.db2.gz CLVHMCKEVXDHJN-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN CC1(C)CC[C@@H]1N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000578560023 1128721816 /nfs/dbraw/zinc/72/18/16/1128721816.db2.gz RCSPJMQLBMXBFO-RYUDHWBXSA-N 0 1 288.218 3.805 20 0 CHADMN CC(C)C[C@H](C)C[C@H](C)NCc1nccc(Cl)n1 ZINC001258061553 1128723497 /nfs/dbraw/zinc/72/34/97/1128723497.db2.gz KXGNHSPJMAGCHM-RYUDHWBXSA-N 0 1 269.820 3.680 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1ccc(C(=O)OC)o1 ZINC000609625616 1128719726 /nfs/dbraw/zinc/71/97/26/1128719726.db2.gz BXQMRAYLXYSTAR-INIZCTEOSA-N 0 1 299.370 3.576 20 0 CHADMN C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)[C@H]1CO ZINC000578820825 1128729737 /nfs/dbraw/zinc/72/97/37/1128729737.db2.gz PSODKWBZAOTRKS-HZMBPMFUSA-N 0 1 288.218 3.586 20 0 CHADMN C[C@H](NCc1cc(Cl)cc2c1OCC2)c1cccnc1 ZINC000136386171 1128731482 /nfs/dbraw/zinc/73/14/82/1128731482.db2.gz KLAMGYMBECZRHA-NSHDSACASA-N 0 1 288.778 3.521 20 0 CHADMN CC[C@@H]1CN(CC)CCN1C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000622651971 1117752945 /nfs/dbraw/zinc/75/29/45/1117752945.db2.gz YFLGDXIGLGRARD-JKSUJKDBSA-N 0 1 294.483 3.536 20 0 CHADMN CC[C@H]1CN(CC)CCN1C(=O)C[C@@H](C)C1CCCCC1 ZINC000622651289 1117753880 /nfs/dbraw/zinc/75/38/80/1117753880.db2.gz ALIHUCYJTHYOFX-WBVHZDCISA-N 0 1 294.483 3.536 20 0 CHADMN Cc1noc(C)c1CN[C@H](c1ccc(F)cc1)C(C)C ZINC000035016649 1117760037 /nfs/dbraw/zinc/76/00/37/1117760037.db2.gz QLGFZCIPQIVUTL-INIZCTEOSA-N 0 1 276.355 3.917 20 0 CHADMN Cc1cccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])n1 ZINC000185085932 1117760407 /nfs/dbraw/zinc/76/04/07/1117760407.db2.gz SEUAXKLNHJDHGO-LLVKDONJSA-N 0 1 276.767 3.600 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cccc(O)c1 ZINC000035015192 1117760554 /nfs/dbraw/zinc/76/05/54/1117760554.db2.gz HZXMPRVUQMBKKK-CYBMUJFWSA-N 0 1 271.360 3.560 20 0 CHADMN CN(Cc1ccccn1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000361239597 1117764879 /nfs/dbraw/zinc/76/48/79/1117764879.db2.gz WDDVURKUAUOZEK-QWHCGFSZSA-N 0 1 272.314 3.635 20 0 CHADMN C[N@@H+](Cc1ccccn1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000361239597 1117764877 /nfs/dbraw/zinc/76/48/77/1117764877.db2.gz WDDVURKUAUOZEK-QWHCGFSZSA-N 0 1 272.314 3.635 20 0 CHADMN Clc1csc(CN2CCOC[C@H](C3CCC3)C2)c1 ZINC000430142440 1117766731 /nfs/dbraw/zinc/76/67/31/1117766731.db2.gz CDMOHLIHPHLBOF-GFCCVEGCSA-N 0 1 285.840 3.650 20 0 CHADMN Cc1ccc(CCC[N@H+](C)Cc2ccc(F)cc2F)o1 ZINC001207950072 1117767258 /nfs/dbraw/zinc/76/72/58/1117767258.db2.gz MELATQQKEYCSFF-UHFFFAOYSA-N 0 1 279.330 3.931 20 0 CHADMN Cc1ccc(CCCN(C)Cc2ccc(F)cc2F)o1 ZINC001207950072 1117767261 /nfs/dbraw/zinc/76/72/61/1117767261.db2.gz MELATQQKEYCSFF-UHFFFAOYSA-N 0 1 279.330 3.931 20 0 CHADMN COCC(C)(C)N(C)Cc1cnc(-c2ccc(C)o2)s1 ZINC000430146790 1117780327 /nfs/dbraw/zinc/78/03/27/1117780327.db2.gz MHRSVSBYJFMACM-UHFFFAOYSA-N 0 1 294.420 3.568 20 0 CHADMN CC[C@@H](NCc1cn(C)nc1C)c1ccc(Cl)s1 ZINC000339510525 1117814893 /nfs/dbraw/zinc/81/48/93/1117814893.db2.gz HRNNNGWBBTZERQ-LLVKDONJSA-N 0 1 283.828 3.684 20 0 CHADMN COCC(C)(C)CN1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000683160164 1117815038 /nfs/dbraw/zinc/81/50/38/1117815038.db2.gz FVOZLCQCTMKRMK-UHFFFAOYSA-N 0 1 286.419 3.507 20 0 CHADMN c1[nH]nc2c1CN([C@@H]1CCCC[C@@H](c3ccccc3)C1)CC2 ZINC000623238917 1117825202 /nfs/dbraw/zinc/82/52/02/1117825202.db2.gz XXMGVJHHHDYSTE-SJLPKXTDSA-N 0 1 295.430 3.884 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)C[C@@H](N2CCc3n[nH]cc3C2)C1 ZINC000623238394 1117825804 /nfs/dbraw/zinc/82/58/04/1117825804.db2.gz DUMROJWYSXFGIA-KYJSFNMBSA-N 0 1 295.430 3.740 20 0 CHADMN FC(F)(F)CC1CCN(Cc2[nH]nc3ccccc32)CC1 ZINC000671311646 1117829846 /nfs/dbraw/zinc/82/98/46/1117829846.db2.gz VKUROSSRRHEHOR-UHFFFAOYSA-N 0 1 297.324 3.727 20 0 CHADMN COc1ccc([C@H]2CCCN2C/C=C/Cl)cc1OC ZINC000045004610 1117833470 /nfs/dbraw/zinc/83/34/70/1117833470.db2.gz JIKRJXCEIUGXIY-FLUIGGAXSA-N 0 1 281.783 3.593 20 0 CHADMN Cc1noc(C)c1C[N@H+](C)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361576943 1117836962 /nfs/dbraw/zinc/83/69/62/1117836962.db2.gz KBOWRBWQHGGGQM-STQMWFEESA-N 0 1 290.329 3.844 20 0 CHADMN Cc1noc(C)c1CN(C)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361576943 1117836966 /nfs/dbraw/zinc/83/69/66/1117836966.db2.gz KBOWRBWQHGGGQM-STQMWFEESA-N 0 1 290.329 3.844 20 0 CHADMN CC[C@H]1CC[N@H+]1Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000430192843 1117837310 /nfs/dbraw/zinc/83/73/10/1117837310.db2.gz DJMKJBCVLQIGFE-HNNXBMFYSA-N 0 1 299.370 3.718 20 0 CHADMN Cc1ccc(CNCc2csc(C(F)(F)F)c2)cn1 ZINC000623360724 1117841106 /nfs/dbraw/zinc/84/11/06/1117841106.db2.gz XNENDNNKULDFKK-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN Cc1cc([C@H](C)[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)oc1C(=O)[O-] ZINC000579118749 1128738473 /nfs/dbraw/zinc/73/84/73/1128738473.db2.gz AJSYKYZCYBRCKI-PLQHRBFRSA-N 0 1 291.391 3.859 20 0 CHADMN COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185564201 1117848970 /nfs/dbraw/zinc/84/89/70/1117848970.db2.gz XUTSSSVEDTXXTQ-QWRGUYRKSA-N 0 1 285.815 3.900 20 0 CHADMN c1c(CNc2cc3c(cn2)CCC3)[nH]nc1-c1ccccc1 ZINC000339552631 1117849350 /nfs/dbraw/zinc/84/93/50/1117849350.db2.gz DKCINVICWBUOGK-UHFFFAOYSA-N 0 1 290.370 3.573 20 0 CHADMN CC(C)[N@@H+](CC[C@H](C(=O)[O-])c1ccccc1)C1CCCC1 ZINC000579118921 1128738601 /nfs/dbraw/zinc/73/86/01/1128738601.db2.gz FNZLQIIVHXNDSS-KRWDZBQOSA-N 0 1 289.419 3.898 20 0 CHADMN CC[C@@H]1CCN1Cc1cnc(-c2ccc(C)o2)s1 ZINC000430197999 1117851086 /nfs/dbraw/zinc/85/10/86/1117851086.db2.gz PWNAUNKQTHIZOC-LLVKDONJSA-N 0 1 262.378 3.696 20 0 CHADMN COc1cc(C)c(CNc2cc3c(cn2)CCC3)cc1OC ZINC000339556126 1117853773 /nfs/dbraw/zinc/85/37/73/1117853773.db2.gz SOKKVAIDGMMWNK-UHFFFAOYSA-N 0 1 298.386 3.508 20 0 CHADMN CC(=O)[C@@H]1CCCCN1CC[C@H](C)c1ccc(C)o1 ZINC001208171037 1117854837 /nfs/dbraw/zinc/85/48/37/1117854837.db2.gz YKDSQSCVEWBSOH-WFASDCNBSA-N 0 1 263.381 3.525 20 0 CHADMN Fc1ccc(F)c(CNC[C@H]2CCCS2)c1Cl ZINC000623445377 1117856713 /nfs/dbraw/zinc/85/67/13/1117856713.db2.gz OJBURYXIXICGJE-MRVPVSSYSA-N 0 1 277.767 3.603 20 0 CHADMN CC(C)c1cc(C(=O)N2CCC[C@@H]2c2ccccc2)n[nH]1 ZINC000045065124 1117858844 /nfs/dbraw/zinc/85/88/44/1117858844.db2.gz ZFJDOJWODSAPOD-MRXNPFEDSA-N 0 1 283.375 3.510 20 0 CHADMN Cc1ccc([C@H](N[C@@H](C)COC(C)C)c2ccccn2)cc1 ZINC000375592225 1117866254 /nfs/dbraw/zinc/86/62/54/1117866254.db2.gz REJKNVASGHOOAI-LPHOPBHVSA-N 0 1 298.430 3.883 20 0 CHADMN CC(C)CN(C)Cn1c2ccccc2oc1=S ZINC000065943707 1117878877 /nfs/dbraw/zinc/87/88/77/1117878877.db2.gz CXCIABCBTCISMA-UHFFFAOYSA-N 0 1 250.367 3.509 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccoc2)cc1F ZINC000177903529 1117882836 /nfs/dbraw/zinc/88/28/36/1117882836.db2.gz QEHFRJPRIHUPLT-LLVKDONJSA-N 0 1 263.312 3.668 20 0 CHADMN COCc1cnc(CN(C)[C@H]2CCC[C@H]2C(C)(C)C)s1 ZINC000579215918 1128741586 /nfs/dbraw/zinc/74/15/86/1128741586.db2.gz OXAKFBIJVAAXHC-KGLIPLIRSA-N 0 1 296.480 3.936 20 0 CHADMN Cc1cccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c1F ZINC001137677130 1117886593 /nfs/dbraw/zinc/88/65/93/1117886593.db2.gz AQVDKZHNKZZYSV-HNNXBMFYSA-N 0 1 284.378 3.909 20 0 CHADMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000339580554 1117886657 /nfs/dbraw/zinc/88/66/57/1117886657.db2.gz ILPLLHYWZBQCPU-LSDHHAIUSA-N 0 1 282.387 3.501 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1cncc(OCc2ccccc2)c1 ZINC000339580554 1117886660 /nfs/dbraw/zinc/88/66/60/1117886660.db2.gz ILPLLHYWZBQCPU-LSDHHAIUSA-N 0 1 282.387 3.501 20 0 CHADMN CC(C)c1nc(CN[C@@]2(CO)CCCC(C)(C)C2)cs1 ZINC000623669511 1117887912 /nfs/dbraw/zinc/88/79/12/1117887912.db2.gz ONHQPBSNFIPBKY-INIZCTEOSA-N 0 1 296.480 3.687 20 0 CHADMN CCC(F)(F)CN[C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000623679196 1117889188 /nfs/dbraw/zinc/88/91/88/1117889188.db2.gz LVLKDXFXJHZJKV-TZMCWYRMSA-N 0 1 268.351 3.743 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@@H]1CC(C)(C)Cc2occc21 ZINC000178717785 1117895432 /nfs/dbraw/zinc/89/54/32/1117895432.db2.gz QKKSSKUKIHZTKZ-XHDPSFHLSA-N 0 1 287.407 3.686 20 0 CHADMN CN(Cc1cccnc1)Cc1cc(Cl)cc2cccnc21 ZINC000178944917 1117898653 /nfs/dbraw/zinc/89/86/53/1117898653.db2.gz GSMHJOIVVJWOOV-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN OC[C@H](N[C@@H]1CCc2c1cccc2Cl)c1ccsc1 ZINC000349409569 1117898911 /nfs/dbraw/zinc/89/89/11/1117898911.db2.gz KUPRSZNOXJETSJ-CABCVRRESA-N 0 1 293.819 3.712 20 0 CHADMN CC[C@@H](CC1CCCC1)c1nc(C2(N)CCCC2)no1 ZINC000579836166 1117899650 /nfs/dbraw/zinc/89/96/50/1117899650.db2.gz BWHAOWRMAVTMJQ-ZDUSSCGKSA-N 0 1 277.412 3.872 20 0 CHADMN C[C@H](Cc1ccccc1F)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000237568455 1128742809 /nfs/dbraw/zinc/74/28/09/1128742809.db2.gz QRRMBUWZNFEHRJ-LLVKDONJSA-N 0 1 293.769 3.906 20 0 CHADMN C[C@H]1CCCN(Cc2csc(C3CC3)n2)CC1 ZINC000179494408 1117906316 /nfs/dbraw/zinc/90/63/16/1117906316.db2.gz NCSSDUWDKFFCNA-NSHDSACASA-N 0 1 250.411 3.643 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1cccc2nccn21 ZINC000179630764 1117908870 /nfs/dbraw/zinc/90/88/70/1117908870.db2.gz WUTRAVQKPGLZSW-ZDUSSCGKSA-N 0 1 283.350 3.666 20 0 CHADMN Fc1cccc([C@H]2CCCN2Cc2cccc3nccn32)c1 ZINC000179688707 1117910654 /nfs/dbraw/zinc/91/06/54/1117910654.db2.gz ZOUVHHNINNGQPW-QGZVFWFLSA-N 0 1 295.361 3.811 20 0 CHADMN C/C=C/CNCc1c(Cl)cccc1N1CCCC1 ZINC000623739910 1117911227 /nfs/dbraw/zinc/91/12/27/1117911227.db2.gz JOUCMZWCBOSFMZ-NSCUHMNNSA-N 0 1 264.800 3.606 20 0 CHADMN CC1(C)CC[C@@H](C(=O)Nc2c(=O)[nH][nH]c2-c2ccccc2)C1 ZINC000615283169 1128743454 /nfs/dbraw/zinc/74/34/54/1128743454.db2.gz PIOJQGMBOSTEJV-GFCCVEGCSA-N 0 1 299.374 3.547 20 0 CHADMN C[C@@]1(c2ccc(F)cc2)CN(CCC2CCCC2)CCO1 ZINC001208694024 1117915318 /nfs/dbraw/zinc/91/53/18/1117915318.db2.gz HNPQQJYDTMVWTO-SFHVURJKSA-N 0 1 291.410 3.953 20 0 CHADMN COc1cc(CN[C@H]2c3ccccc3O[C@@H]2C)ccc1C ZINC000579282746 1128743642 /nfs/dbraw/zinc/74/36/42/1128743642.db2.gz XOAXUXQPWRYJNK-FZKQIMNGSA-N 0 1 283.371 3.615 20 0 CHADMN C[C@@H](c1nc(C2CCSCC2)no1)N1[C@H](C)CC[C@@H]1C ZINC000350884104 1117920967 /nfs/dbraw/zinc/92/09/67/1117920967.db2.gz SNBYZBAZRKKVHO-TUAOUCFPSA-N 0 1 295.452 3.614 20 0 CHADMN CC/C=C\CCN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001208732357 1117922533 /nfs/dbraw/zinc/92/25/33/1117922533.db2.gz AAOZXDKIYYRQHV-VSQXVHSFSA-N 0 1 273.302 3.699 20 0 CHADMN c1cc(CN[C@@H]2CSCc3ccccc32)cs1 ZINC000059639555 1117923625 /nfs/dbraw/zinc/92/36/25/1117923625.db2.gz KYXRWWAHJNSVQN-CQSZACIVSA-N 0 1 261.415 3.826 20 0 CHADMN CCOC(=O)c1cc2c(s1)CCN(CCCC(C)C)C2 ZINC001208735745 1117925506 /nfs/dbraw/zinc/92/55/06/1117925506.db2.gz NXFGWIZYLFGXMV-UHFFFAOYSA-N 0 1 295.448 3.719 20 0 CHADMN Cc1cc(-c2noc(-c3cc(-c4ccco4)n[nH]3)n2)c(C)o1 ZINC000351044710 1117925831 /nfs/dbraw/zinc/92/58/31/1117925831.db2.gz SSHFVJBJKHWSHC-UHFFFAOYSA-N 0 1 296.286 3.597 20 0 CHADMN c1coc(CN(Cc2cccnc2)CC2CCCC2)c1 ZINC000180465773 1117931570 /nfs/dbraw/zinc/93/15/70/1117931570.db2.gz LBBMVYYQHHOWKP-UHFFFAOYSA-N 0 1 270.376 3.867 20 0 CHADMN Cn1ccc(CNC(C)(C)c2ccc3ccccc3c2)n1 ZINC000623803949 1117937512 /nfs/dbraw/zinc/93/75/12/1117937512.db2.gz ZKWGQRRYOQYGAT-UHFFFAOYSA-N 0 1 279.387 3.598 20 0 CHADMN Fc1c(Cl)cccc1CN1CC[C@@H](c2ccncc2)C1 ZINC000579310794 1128744994 /nfs/dbraw/zinc/74/49/94/1128744994.db2.gz YDHIDYUUTYOTHD-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN CCc1ccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1CC ZINC000180764924 1117939609 /nfs/dbraw/zinc/93/96/09/1117939609.db2.gz ICUWOXYNCNUWII-OAHLLOKOSA-N 0 1 297.402 3.593 20 0 CHADMN C[C@@H](NCc1ccnn1C)c1ccc(C(C)(C)C)cc1 ZINC000036921675 1117940830 /nfs/dbraw/zinc/94/08/30/1117940830.db2.gz LBKDFPJNEGOERK-CYBMUJFWSA-N 0 1 271.408 3.568 20 0 CHADMN Cc1noc(C)c1CN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000036921747 1117940923 /nfs/dbraw/zinc/94/09/23/1117940923.db2.gz PPUNXMFMCOJOFR-LBPRGKRZSA-N 0 1 288.391 3.929 20 0 CHADMN CC(C)Oc1ccc(CN2CC[C@](C)(CF)C2)c(F)c1 ZINC001238445023 1117945919 /nfs/dbraw/zinc/94/59/19/1117945919.db2.gz RISGAUUNEMDIRR-MRXNPFEDSA-N 0 1 283.362 3.794 20 0 CHADMN FC[C@@H]1CCCN1Cc1cccc(OCC(F)(F)F)c1 ZINC000339665081 1117950408 /nfs/dbraw/zinc/95/04/08/1117950408.db2.gz ROAIDSUDKQXKBA-LBPRGKRZSA-N 0 1 291.288 3.562 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2cccc(OC(C)(C)C)n2)C1 ZINC000430261697 1117950530 /nfs/dbraw/zinc/95/05/30/1117950530.db2.gz JZTKXKBYCNVEMH-CYBMUJFWSA-N 0 1 274.408 3.657 20 0 CHADMN Cc1csc([C@H](C)NC[C@@H](C)Oc2ccccc2C)n1 ZINC000623899824 1117950655 /nfs/dbraw/zinc/95/06/55/1117950655.db2.gz UJGLOAWMVBAOGT-KGLIPLIRSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1csc([C@H](C)NC[C@H](C)Oc2cccc(F)c2)n1 ZINC000623899713 1117951229 /nfs/dbraw/zinc/95/12/29/1117951229.db2.gz QONJJRZZVYKLKI-RYUDHWBXSA-N 0 1 294.395 3.709 20 0 CHADMN C[C@@H](CN[C@@H]1CCCc2scnc21)Oc1ccccc1 ZINC000623914665 1117953909 /nfs/dbraw/zinc/95/39/09/1117953909.db2.gz GHZNDALUFPBLMD-GXTWGEPZSA-N 0 1 288.416 3.578 20 0 CHADMN C[C@H](CN[C@H]1CCCc2scnc21)Oc1ccccc1 ZINC000623914667 1117953988 /nfs/dbraw/zinc/95/39/88/1117953988.db2.gz GHZNDALUFPBLMD-OCCSQVGLSA-N 0 1 288.416 3.578 20 0 CHADMN CC[C@@H](c1ccccc1OC)N(C)Cc1ccco1 ZINC000579366044 1128746281 /nfs/dbraw/zinc/74/62/81/1128746281.db2.gz CZBZGDZZUWASAK-HNNXBMFYSA-N 0 1 259.349 3.871 20 0 CHADMN CC(C)C[N@@H+](Cc1ncc(Cl)n1C)CC(C)(C)C ZINC000134448299 1117956186 /nfs/dbraw/zinc/95/61/86/1117956186.db2.gz FDECLKGZODPXSV-UHFFFAOYSA-N 0 1 271.836 3.578 20 0 CHADMN FC1(F)CCC[C@H](N[C@@H]2CCCc3scnc32)C1 ZINC000623921304 1117956529 /nfs/dbraw/zinc/95/65/29/1117956529.db2.gz ROPYNWOTNLSRGY-VHSXEESVSA-N 0 1 272.364 3.688 20 0 CHADMN CC1(C)C[N@@H+](Cc2nccn2-c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000339710198 1117962705 /nfs/dbraw/zinc/96/27/05/1117962705.db2.gz HKRRLQLYYFOPAO-IAGOWNOFSA-N 0 1 295.430 3.883 20 0 CHADMN CCc1cc(Br)cc(NC2=CC[N@@H+](C)CC2)c1 ZINC001208910656 1117962743 /nfs/dbraw/zinc/96/27/43/1117962743.db2.gz SYENCYCSMQTUQM-UHFFFAOYSA-N 0 1 295.224 3.643 20 0 CHADMN COC1(CN[C@H]2CCCc3scnc32)CCC(C)CC1 ZINC000623975949 1117965086 /nfs/dbraw/zinc/96/50/86/1117965086.db2.gz UGZDZNJREBMABO-UYJPIKCFSA-N 0 1 294.464 3.705 20 0 CHADMN Cc1cccc([C@H](NCc2cc(C)nc(C)n2)C(C)C)c1 ZINC000623979769 1117965307 /nfs/dbraw/zinc/96/53/07/1117965307.db2.gz LLPQTYRDPZRSTP-GOSISDBHSA-N 0 1 283.419 3.889 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1ccns1 ZINC000624047473 1117975196 /nfs/dbraw/zinc/97/51/96/1117975196.db2.gz DLUREMATUITDLM-BMIGLBTASA-N 0 1 276.380 3.695 20 0 CHADMN CC1(C)C[C@H](NCc2ccns2)c2ccccc21 ZINC000624047628 1117975275 /nfs/dbraw/zinc/97/52/75/1117975275.db2.gz JPADFRMAPWTJGH-AWEZNQCLSA-N 0 1 258.390 3.655 20 0 CHADMN C[C@H]1CCc2c(F)cccc2[C@H]1NCc1ccns1 ZINC000624047474 1117975779 /nfs/dbraw/zinc/97/57/79/1117975779.db2.gz DLUREMATUITDLM-BONVTDFDSA-N 0 1 276.380 3.695 20 0 CHADMN CCC[C@@H](CN[C@@H](C)c1nc2c(s1)CCCC2)OCC ZINC000624049631 1117976290 /nfs/dbraw/zinc/97/62/90/1117976290.db2.gz MMGUFWMMJFWCEZ-STQMWFEESA-N 0 1 296.480 3.878 20 0 CHADMN C[C@@H]([NH2+][C@@H]1CC=CCC1)c1cc(Br)ccc1[O-] ZINC000186056740 1117979041 /nfs/dbraw/zinc/97/90/41/1117979041.db2.gz UQHUNWQPNNHGAC-ZYHUDNBSSA-N 0 1 296.208 3.914 20 0 CHADMN CCc1cccc(CC)c1NC(=O)c1ccc2cncn2c1 ZINC000339816704 1117979753 /nfs/dbraw/zinc/97/97/53/1117979753.db2.gz YHCBFFUKHKGOSE-UHFFFAOYSA-N 0 1 293.370 3.711 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)N(C)C[C@H](O)C(F)(F)F ZINC000181322827 1117998010 /nfs/dbraw/zinc/99/80/10/1117998010.db2.gz GSNILNSASKUKDA-NEPJUHHUSA-N 0 1 295.732 3.646 20 0 CHADMN CN(CCc1ccc(F)cc1Cl)Cc1cncs1 ZINC001209115286 1117998586 /nfs/dbraw/zinc/99/85/86/1117998586.db2.gz OMTBMLCFAVOIBY-UHFFFAOYSA-N 0 1 284.787 3.610 20 0 CHADMN CC(C)(C)OCCN1CCc2ccc(Cl)cc2C1 ZINC000535626969 1117998908 /nfs/dbraw/zinc/99/89/08/1117998908.db2.gz SCTGUPSIKMXULF-UHFFFAOYSA-N 0 1 267.800 3.513 20 0 CHADMN C[C@]1(F)CCCCN(Cc2cc3ccccc3cn2)C1 ZINC001139994950 1117999807 /nfs/dbraw/zinc/99/98/07/1117999807.db2.gz FBXURVFCYUVDGC-KRWDZBQOSA-N 0 1 272.367 3.949 20 0 CHADMN C[C@@H](c1cccc2ccccc21)N(C)CC(=O)NC(C)(C)C ZINC000064138731 1118001551 /nfs/dbraw/zinc/00/15/51/1118001551.db2.gz FHUZRVIXKARQOX-AWEZNQCLSA-N 0 1 298.430 3.747 20 0 CHADMN C[C@@H]1CCC[C@@H](OCC(=O)Nc2cccc(Cl)c2O)C1 ZINC000077012955 1118005202 /nfs/dbraw/zinc/00/52/02/1118005202.db2.gz JWCABSMMRFHXEJ-GHMZBOCLSA-N 0 1 297.782 3.579 20 0 CHADMN Cc1oncc1CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000181757238 1118006628 /nfs/dbraw/zinc/00/66/28/1118006628.db2.gz JPEVHLDMEUMGLK-MRXNPFEDSA-N 0 1 274.339 3.753 20 0 CHADMN CN(Cc1nc2ccccc2n1C(F)F)C[C@H]1CC1(C)C ZINC000662346339 1118010691 /nfs/dbraw/zinc/01/06/91/1118010691.db2.gz AMYULPISLOPTMM-LLVKDONJSA-N 0 1 293.361 3.909 20 0 CHADMN CCN1CCN([C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000615454402 1128749498 /nfs/dbraw/zinc/74/94/98/1128749498.db2.gz XKDBRHJEVMNGAQ-NSHDSACASA-N 0 1 287.234 3.692 20 0 CHADMN Fc1ccc2c(c1Cl)[C@H](N[C@@H]1CO[C@@H](C3CC3)C1)CC2 ZINC000624224291 1118019911 /nfs/dbraw/zinc/01/99/11/1118019911.db2.gz RJDXITVFUPCNOQ-IACUBPJLSA-N 0 1 295.785 3.624 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)c1ccc(C)c(C)n1 ZINC001167105694 1118020014 /nfs/dbraw/zinc/02/00/14/1118020014.db2.gz KYVVNBRYXYUUFC-CQSZACIVSA-N 0 1 270.376 3.904 20 0 CHADMN Cc1ccc(CNCc2ccc(C3CC3)cc2)nc1 ZINC000359807670 1118023846 /nfs/dbraw/zinc/02/38/46/1118023846.db2.gz UYXCWLTVEFSNMR-UHFFFAOYSA-N 0 1 252.361 3.557 20 0 CHADMN Cc1cccc(CN[C@H]2CCCc3cc(F)ccc32)n1 ZINC000182524089 1118023916 /nfs/dbraw/zinc/02/39/16/1118023916.db2.gz WQMYIOUEPOFBGI-KRWDZBQOSA-N 0 1 270.351 3.696 20 0 CHADMN CC(C)c1cn(CN2CCC[C@@H]2C2CC2)c(=S)n1C ZINC000083110152 1118027191 /nfs/dbraw/zinc/02/71/91/1118027191.db2.gz DVWZLTNAJLIYEB-CYBMUJFWSA-N 0 1 279.453 3.511 20 0 CHADMN CC[C@H]1CCC[C@@H](CN(C)Cc2nccn2C(F)F)C1 ZINC000182993912 1118035048 /nfs/dbraw/zinc/03/50/48/1118035048.db2.gz LURJRDHRLZDNKJ-QWHCGFSZSA-N 0 1 285.382 3.926 20 0 CHADMN COc1ccc(CNCc2ccc(C)cc2Cl)cc1 ZINC000234934934 1118035375 /nfs/dbraw/zinc/03/53/75/1118035375.db2.gz MZXNCFSIJKUDJJ-UHFFFAOYSA-N 0 1 275.779 3.947 20 0 CHADMN CCOCc1ccccc1CN[C@@H](C)c1ccc(C)o1 ZINC000037762161 1118036889 /nfs/dbraw/zinc/03/68/89/1118036889.db2.gz WPCJRGBNMAKSBW-AWEZNQCLSA-N 0 1 273.376 3.975 20 0 CHADMN COC(=O)c1cc(CN[C@@H](C)c2ccc(C)cc2)oc1C ZINC000037770453 1118037298 /nfs/dbraw/zinc/03/72/98/1118037298.db2.gz UZXREMYRXDJQTL-LBPRGKRZSA-N 0 1 287.359 3.534 20 0 CHADMN COc1cccc([C@@H](C)NCc2ccc(F)cc2F)c1 ZINC000037771347 1118037817 /nfs/dbraw/zinc/03/78/17/1118037817.db2.gz NCVXPXDCGBMMFN-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN C[N@@H+](Cc1ccc2occc2c1)Cc1cccc(O)c1 ZINC000579884687 1118038547 /nfs/dbraw/zinc/03/85/47/1118038547.db2.gz NSOIXFVHDJJVBG-UHFFFAOYSA-N 0 1 267.328 3.770 20 0 CHADMN CN(Cc1ccc2occc2c1)Cc1cccc(O)c1 ZINC000579884687 1118038553 /nfs/dbraw/zinc/03/85/53/1118038553.db2.gz NSOIXFVHDJJVBG-UHFFFAOYSA-N 0 1 267.328 3.770 20 0 CHADMN CCCC[C@H](CC)CN1CCN([C@H](C)C(F)(F)F)CC1 ZINC000183629905 1118047582 /nfs/dbraw/zinc/04/75/82/1118047582.db2.gz FLVLWZVGYUTACX-KGLIPLIRSA-N 0 1 294.405 3.771 20 0 CHADMN Cc1csc([C@@H](C)NCCOc2cc(C)ccc2C)n1 ZINC000184176001 1118052331 /nfs/dbraw/zinc/05/23/31/1118052331.db2.gz USXCSCPWKXRVGY-CQSZACIVSA-N 0 1 290.432 3.798 20 0 CHADMN CC(C)COC[C@H](N[C@@H]1C=CCCC1)c1ccco1 ZINC000184171260 1118052508 /nfs/dbraw/zinc/05/25/08/1118052508.db2.gz YHIAWEICGGFVMN-CABCVRRESA-N 0 1 263.381 3.692 20 0 CHADMN CCN(Cc1c(F)cccc1Cl)C[C@H]1C[C@@H]1C ZINC001209433037 1118055059 /nfs/dbraw/zinc/05/50/59/1118055059.db2.gz SOMLSUAJABHESC-WDEREUQCSA-N 0 1 255.764 3.957 20 0 CHADMN Cc1ccccc1Cc1nnc(CN[C@@H](C)C2CCCC2)o1 ZINC000184653061 1118055546 /nfs/dbraw/zinc/05/55/46/1118055546.db2.gz RHOGHJAXEZXPPZ-AWEZNQCLSA-N 0 1 299.418 3.637 20 0 CHADMN Cc1ccc(C)c(CNCc2ccc(F)cc2F)c1 ZINC000050198647 1118057084 /nfs/dbraw/zinc/05/70/84/1118057084.db2.gz AFYHDZPWFKHRCQ-UHFFFAOYSA-N 0 1 261.315 3.871 20 0 CHADMN CCCCN(Cc1cc(-c2ccco2)on1)C1CC1 ZINC000046092975 1118057809 /nfs/dbraw/zinc/05/78/09/1118057809.db2.gz DMRDVYYUDRPTLM-UHFFFAOYSA-N 0 1 260.337 3.699 20 0 CHADMN CC(C)N(Cc1ccc(F)cc1)Cc1ccc(F)nc1 ZINC000779153787 1128753346 /nfs/dbraw/zinc/75/33/46/1128753346.db2.gz KWEQYEZMKYOXRN-UHFFFAOYSA-N 0 1 276.330 3.770 20 0 CHADMN OC[C@H](NCCCCCF)c1c(Cl)cccc1Cl ZINC000579621438 1128753427 /nfs/dbraw/zinc/75/34/27/1128753427.db2.gz XCLZXOUMZFLTJL-LBPRGKRZSA-N 0 1 294.197 3.756 20 0 CHADMN Fc1cccc(CN[C@@H](c2cccnc2)C2CC2)c1F ZINC000340109011 1118067681 /nfs/dbraw/zinc/06/76/81/1118067681.db2.gz NEORSOLIMPRCAZ-MRXNPFEDSA-N 0 1 274.314 3.601 20 0 CHADMN CCOc1ccc(C(C)=O)cc1C[N@H+]1C[C@H](C)CC1(C)C ZINC000380362193 1118067929 /nfs/dbraw/zinc/06/79/29/1118067929.db2.gz CIPWENMCDKICPV-CYBMUJFWSA-N 0 1 289.419 3.908 20 0 CHADMN CC[C@@H]1CCCC[C@H]1NCc1nnc(C(F)(F)F)s1 ZINC000660305715 1118068039 /nfs/dbraw/zinc/06/80/39/1118068039.db2.gz MQMSNLOQYSSTRU-RKDXNWHRSA-N 0 1 293.358 3.615 20 0 CHADMN COC(=O)c1cccc(C[N@H+]2CCC3(CCC3)C2)c1Cl ZINC000380385451 1118068112 /nfs/dbraw/zinc/06/81/12/1118068112.db2.gz WRPYNNWHRAQEEK-UHFFFAOYSA-N 0 1 293.794 3.503 20 0 CHADMN COC(=O)c1cccc(CN2CCC3(CCC3)C2)c1Cl ZINC000380385451 1118068117 /nfs/dbraw/zinc/06/81/17/1118068117.db2.gz WRPYNNWHRAQEEK-UHFFFAOYSA-N 0 1 293.794 3.503 20 0 CHADMN C[C@H](NCc1cccc(F)c1)c1ccc(F)cc1N(C)C ZINC000124329376 1118075764 /nfs/dbraw/zinc/07/57/64/1118075764.db2.gz AYWYLUJSHPXLLP-LBPRGKRZSA-N 0 1 290.357 3.882 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Cl)cc2Cl)CCC[C@@H]1O ZINC001203388374 1118075863 /nfs/dbraw/zinc/07/58/63/1118075863.db2.gz CVVAEEKBFGAWLC-YGRLFVJLSA-N 0 1 288.218 3.586 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(C)c(O)c(C)c2)o1 ZINC000340131831 1118076420 /nfs/dbraw/zinc/07/64/20/1118076420.db2.gz QNUNZAGDFPGOIS-UHFFFAOYSA-N 0 1 259.349 3.542 20 0 CHADMN CCN(Cc1ccc(F)nc1)[C@H](C)c1ccc(F)cc1 ZINC000779154925 1128754046 /nfs/dbraw/zinc/75/40/46/1128754046.db2.gz ZZDAVYXKDBLDHD-GFCCVEGCSA-N 0 1 276.330 3.943 20 0 CHADMN Cc1ccc(CC[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000237713654 1128754196 /nfs/dbraw/zinc/75/41/96/1128754196.db2.gz CHQFCPCEQUQMJU-UHFFFAOYSA-N 0 1 275.779 3.686 20 0 CHADMN CC(=O)CCCCCCC(=O)Nc1cccc(Cl)c1O ZINC000764231689 1118079134 /nfs/dbraw/zinc/07/91/34/1118079134.db2.gz GCIRXTUKECNJSX-UHFFFAOYSA-N 0 1 297.782 3.914 20 0 CHADMN CCCCCCOc1cccc(CN2CCCOCC2)c1 ZINC000768890772 1118081949 /nfs/dbraw/zinc/08/19/49/1118081949.db2.gz SUYFPXNHIHLONM-UHFFFAOYSA-N 0 1 291.435 3.868 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Cl)cc2Cl)CC[C@@H]1O ZINC001203389203 1118083208 /nfs/dbraw/zinc/08/32/08/1118083208.db2.gz YKQLWBFYTIJMQI-HZMBPMFUSA-N 0 1 288.218 3.586 20 0 CHADMN CC[C@H](N[C@H](C)c1nc(C2CCCCC2)no1)C1CC1 ZINC000639096653 1118086774 /nfs/dbraw/zinc/08/67/74/1118086774.db2.gz HASJYNRMLOLFBU-RISCZKNCSA-N 0 1 277.412 3.957 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@H](C)c1ccco1)CCC2 ZINC000764630158 1118103000 /nfs/dbraw/zinc/10/30/00/1118103000.db2.gz XNYQOFWQYLKXBE-MWLCHTKSSA-N 0 1 262.378 3.773 20 0 CHADMN C[C@@H](N[C@@H]1CCc2c1cc(F)cc2F)c1ccccn1 ZINC000120937523 1118105458 /nfs/dbraw/zinc/10/54/58/1118105458.db2.gz WFHGKLNBWGBMAS-QLJPJBMISA-N 0 1 274.314 3.698 20 0 CHADMN COc1cccc(CN2CC[C@@H]2c2ccccc2)c1 ZINC000340194896 1118107477 /nfs/dbraw/zinc/10/74/77/1118107477.db2.gz OYLOHTKXSHJDCN-QGZVFWFLSA-N 0 1 253.345 3.642 20 0 CHADMN Cc1cnn(-c2ccncc2NCc2ccc(F)c(C)c2)c1 ZINC000340193643 1118108417 /nfs/dbraw/zinc/10/84/17/1118108417.db2.gz BCSABHKCVZFIHD-UHFFFAOYSA-N 0 1 296.349 3.635 20 0 CHADMN Cc1nccc(CN[C@H](C)c2cccc(C3CC3)c2)n1 ZINC000340191778 1118108439 /nfs/dbraw/zinc/10/84/39/1118108439.db2.gz MNLKERAPJKZVMS-GFCCVEGCSA-N 0 1 267.376 3.513 20 0 CHADMN Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1F ZINC000237745914 1128756656 /nfs/dbraw/zinc/75/66/56/1128756656.db2.gz NLPIMMBRJJWGSM-UHFFFAOYSA-N 0 1 279.742 3.783 20 0 CHADMN c1cc2cc(NCC[C@@H]3CCCCO3)ccc2cn1 ZINC000653466721 1118113417 /nfs/dbraw/zinc/11/34/17/1118113417.db2.gz TWUZHQBFOGXCLH-INIZCTEOSA-N 0 1 256.349 3.606 20 0 CHADMN CO[C@H](C)c1cccc(Nc2ccc3nccn3c2)c1 ZINC001209947543 1118116455 /nfs/dbraw/zinc/11/64/55/1118116455.db2.gz OGGWGZZFKHVUJK-GFCCVEGCSA-N 0 1 267.332 3.785 20 0 CHADMN C[C@@H](NCc1cc[nH]n1)c1ccc(F)c2ccccc21 ZINC000340240125 1118120778 /nfs/dbraw/zinc/12/07/78/1118120778.db2.gz RYALLHUYKRJZOJ-LLVKDONJSA-N 0 1 269.323 3.553 20 0 CHADMN Cc1cnn(-c2ccccc2C)c1Nc1cnc(N)cc1C ZINC001209967590 1118121654 /nfs/dbraw/zinc/12/16/54/1118121654.db2.gz QBEJIUYPOBDAHZ-UHFFFAOYSA-N 0 1 293.374 3.518 20 0 CHADMN CC[C@H](NCc1nc(C(C)(C)C)cs1)[C@H]1CCCCO1 ZINC000653876911 1118126120 /nfs/dbraw/zinc/12/61/20/1118126120.db2.gz JMAIQIBZBUBGQM-QWHCGFSZSA-N 0 1 296.480 3.878 20 0 CHADMN CCOC(=O)CN(CC1CCC(C(C)(C)C)CC1)C1CC1 ZINC001167276344 1118140190 /nfs/dbraw/zinc/14/01/90/1118140190.db2.gz JLBCQZAEXKFMLH-UHFFFAOYSA-N 0 1 295.467 3.866 20 0 CHADMN CCCOc1cccc(CN[C@H](C)c2cncs2)c1 ZINC000765380780 1118147398 /nfs/dbraw/zinc/14/73/98/1118147398.db2.gz MJVNVSSITPUMQG-GFCCVEGCSA-N 0 1 276.405 3.783 20 0 CHADMN CSc1ccc(C(=O)Nc2ccc3nc(C)[nH]c3c2)cc1 ZINC000010896286 1118160031 /nfs/dbraw/zinc/16/00/31/1118160031.db2.gz DPFLPYUCOJWHLB-UHFFFAOYSA-N 0 1 297.383 3.846 20 0 CHADMN CCN(Cc1nc(CCc2ccccc2)no1)C1CCCC1 ZINC000075638398 1118164843 /nfs/dbraw/zinc/16/48/43/1118164843.db2.gz SQRDVEKOWPJXKX-UHFFFAOYSA-N 0 1 299.418 3.619 20 0 CHADMN CCC[C@H](CN[C@H](C)c1c(F)cccc1Cl)OC ZINC000386227849 1118165486 /nfs/dbraw/zinc/16/54/86/1118165486.db2.gz PHLYMZPDKOKNOT-GHMZBOCLSA-N 0 1 273.779 3.945 20 0 CHADMN CC(C)(C)C1CCN(Cc2nnc(-c3ccco3)o2)CC1 ZINC000172031331 1118168757 /nfs/dbraw/zinc/16/87/57/1118168757.db2.gz OREPVFSWDSXTHS-UHFFFAOYSA-N 0 1 289.379 3.588 20 0 CHADMN CCc1ccc(CNCc2c(Cl)n[nH]c2CC)s1 ZINC000921535574 1118173550 /nfs/dbraw/zinc/17/35/50/1118173550.db2.gz RUUCDEBVPXOZRG-UHFFFAOYSA-N 0 1 283.828 3.539 20 0 CHADMN CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000021962288 1118177085 /nfs/dbraw/zinc/17/70/85/1118177085.db2.gz LHZZQSTVCLRJGZ-OAHLLOKOSA-N 0 1 297.402 3.790 20 0 CHADMN CC1CCN(CC(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000023699971 1118180398 /nfs/dbraw/zinc/18/03/98/1118180398.db2.gz CHVHTQYIQVSHNQ-UHFFFAOYSA-N 0 1 288.435 3.655 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(-c2ccc(F)cc2C)no1 ZINC000386688056 1118184533 /nfs/dbraw/zinc/18/45/33/1118184533.db2.gz RFAZNFJKCOUZGL-CYBMUJFWSA-N 0 1 291.370 3.881 20 0 CHADMN CC[N@@H+](Cc1ccoc1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001167294780 1118186255 /nfs/dbraw/zinc/18/62/55/1118186255.db2.gz WJPFBYKBLULEGH-JKSUJKDBSA-N 0 1 259.324 3.797 20 0 CHADMN c1cn2c(n1)[C@@H](NCc1csc3ccccc13)CCC2 ZINC000655696988 1118187549 /nfs/dbraw/zinc/18/75/49/1118187549.db2.gz GPWNAIGVBSAVJF-AWEZNQCLSA-N 0 1 283.400 3.723 20 0 CHADMN c1csc([C@@H](N[C@@H]2CCCn3ccnc32)C2CC2)c1 ZINC000655698913 1118188230 /nfs/dbraw/zinc/18/82/30/1118188230.db2.gz YRPCJEYWMZSAQE-OCCSQVGLSA-N 0 1 273.405 3.520 20 0 CHADMN c1cn2c(n1)[C@@H](NCc1cc3ccccc3s1)CCC2 ZINC000655700507 1118188565 /nfs/dbraw/zinc/18/85/65/1118188565.db2.gz LNIQYUYKVIQFQR-AWEZNQCLSA-N 0 1 283.400 3.723 20 0 CHADMN C[C@H](NCC1(C(F)(F)F)CCCC1)c1cscn1 ZINC000624273363 1118190565 /nfs/dbraw/zinc/19/05/65/1118190565.db2.gz ZIFVFLKBDJMGJV-VIFPVBQESA-N 0 1 278.343 3.916 20 0 CHADMN C[C@H]1CC[C@@H](NCc2coc(-c3ccccc3)n2)CS1 ZINC000655720568 1118192414 /nfs/dbraw/zinc/19/24/14/1118192414.db2.gz ZNCMTRPBHNSGSP-GXTWGEPZSA-N 0 1 288.416 3.715 20 0 CHADMN CSc1cc(C)ccc1CN[C@H](C)c1cncnc1C ZINC000655723431 1118193952 /nfs/dbraw/zinc/19/39/52/1118193952.db2.gz NQMNLXMMWWVFKM-GFCCVEGCSA-N 0 1 287.432 3.666 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2nc(C(F)(F)F)cs2)CS1 ZINC000655723177 1118194198 /nfs/dbraw/zinc/19/41/98/1118194198.db2.gz HZHLSDPHRLGIGY-HTQZYQBOSA-N 0 1 296.383 3.536 20 0 CHADMN C[C@H](c1ccccc1F)N(C)C[C@H](O)c1ccc(F)cc1 ZINC000133965073 1118195026 /nfs/dbraw/zinc/19/50/26/1118195026.db2.gz HXMZOJIRMILCOU-PXAZEXFGSA-N 0 1 291.341 3.691 20 0 CHADMN CCn1cc(CN(Cc2ccsc2C)C(C)C)cn1 ZINC000651960218 1118196109 /nfs/dbraw/zinc/19/61/09/1118196109.db2.gz XHJQWQFGLOUFPK-UHFFFAOYSA-N 0 1 277.437 3.684 20 0 CHADMN Cc1cc2c(c(C)c1)[C@H]([NH2+][C@H]1CCCc3c[nH]nc31)CC2 ZINC000655732724 1118196701 /nfs/dbraw/zinc/19/67/01/1118196701.db2.gz FKTLFALRHZCECG-CVEARBPZSA-N 0 1 281.403 3.681 20 0 CHADMN Cc1cc2c(c(C)c1)[C@H](N[C@H]1CCCc3c[nH]nc31)CC2 ZINC000655732724 1118196704 /nfs/dbraw/zinc/19/67/04/1118196704.db2.gz FKTLFALRHZCECG-CVEARBPZSA-N 0 1 281.403 3.681 20 0 CHADMN COc1cc(CNCc2nccc3c2CCCC3)ccc1C ZINC000921607232 1118204079 /nfs/dbraw/zinc/20/40/79/1118204079.db2.gz VLKXTNQDEVEAPZ-UHFFFAOYSA-N 0 1 296.414 3.567 20 0 CHADMN c1ccc2c(c1)CSC[C@H]2NCc1cccc2c1OCC2 ZINC000921611714 1118205021 /nfs/dbraw/zinc/20/50/21/1118205021.db2.gz HPWSHCDQHANZLJ-QGZVFWFLSA-N 0 1 297.423 3.699 20 0 CHADMN C[C@@H]1CC[C@H](Nc2ccc3cnccc3c2)CS1 ZINC000655792927 1118215043 /nfs/dbraw/zinc/21/50/43/1118215043.db2.gz TVEFEDHNBWQPQM-ABAIWWIYSA-N 0 1 258.390 3.931 20 0 CHADMN CCC[C@H](C)N(C)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000029447790 1118216215 /nfs/dbraw/zinc/21/62/15/1118216215.db2.gz LUZQQAACDJXQNI-ZDUSSCGKSA-N 0 1 285.391 3.646 20 0 CHADMN CCN(Cc1nc(Cl)ccc1Cl)CC1CC1 ZINC000068946945 1118217473 /nfs/dbraw/zinc/21/74/73/1118217473.db2.gz HPTVYSFWWCDRRY-UHFFFAOYSA-N 0 1 259.180 3.620 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccc(C)c2OC)cc1 ZINC000655810633 1118220186 /nfs/dbraw/zinc/22/01/86/1118220186.db2.gz NIXUFAWTXYYWLR-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN CCCOc1cccc(NC(=O)c2cccc3cn[nH]c32)c1 ZINC000031602528 1118222168 /nfs/dbraw/zinc/22/21/68/1118222168.db2.gz IFVBQUVKQRLGBA-UHFFFAOYSA-N 0 1 295.342 3.604 20 0 CHADMN CC(C)Cn1ccnc1NCc1cscc1Cl ZINC000671673441 1118223423 /nfs/dbraw/zinc/22/34/23/1118223423.db2.gz SRANVZXBAPFSQQ-UHFFFAOYSA-N 0 1 269.801 3.866 20 0 CHADMN CC(C)CC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000032465262 1118226045 /nfs/dbraw/zinc/22/60/45/1118226045.db2.gz KLHOMXSURRQXIO-UHFFFAOYSA-N 0 1 273.380 3.845 20 0 CHADMN COc1ccc(C)cc1CNCc1cccc(C)c1OC ZINC000655832337 1118226377 /nfs/dbraw/zinc/22/63/77/1118226377.db2.gz SXAXXDOXTFXGDK-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN CCOc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)cc1 ZINC000121296140 1118229268 /nfs/dbraw/zinc/22/92/68/1118229268.db2.gz QTVWHKFDYWYKIV-AWEZNQCLSA-N 0 1 285.387 3.984 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CCC[C@H]1c1ccccc1 ZINC000039559320 1118229377 /nfs/dbraw/zinc/22/93/77/1118229377.db2.gz VAJKPZSDKPZIKK-INIZCTEOSA-N 0 1 291.354 3.540 20 0 CHADMN CC[C@H](N[C@@H](C)c1nc(C)sc1C)[C@@H]1CCCCO1 ZINC000655848679 1118238414 /nfs/dbraw/zinc/23/84/14/1118238414.db2.gz JRPDDJQWWUIVIC-BPNCWPANSA-N 0 1 282.453 3.758 20 0 CHADMN Cc1cnc(CN(Cc2ccccc2O)C2CCCC2)o1 ZINC000075741702 1128764758 /nfs/dbraw/zinc/76/47/58/1128764758.db2.gz KGAMQPAQNOBNDB-UHFFFAOYSA-N 0 1 286.375 3.633 20 0 CHADMN CCCCC(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615814129 1128765469 /nfs/dbraw/zinc/76/54/69/1128765469.db2.gz SLWFELUQDOECHT-JTQLQIEISA-N 0 1 293.798 3.926 20 0 CHADMN CCc1noc(C)c1CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000340440464 1118250443 /nfs/dbraw/zinc/25/04/43/1118250443.db2.gz APJAZMQFIBHBOT-NSHDSACASA-N 0 1 276.355 3.844 20 0 CHADMN CCc1noc(C)c1CN[C@H]1c2ccccc2C[C@@H]1C ZINC000340442138 1118251660 /nfs/dbraw/zinc/25/16/60/1118251660.db2.gz NFZZANLPPUAEMW-APPDUMDISA-N 0 1 270.376 3.569 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2ncc(C(C)(C)C)o2)C1 ZINC000409445182 1118252512 /nfs/dbraw/zinc/25/25/12/1118252512.db2.gz JYRFMITZKPLJJV-VXGBXAGGSA-N 0 1 250.386 3.593 20 0 CHADMN C[C@@H](NCc1coc2ccccc12)c1ccc(F)cn1 ZINC000340448749 1118258100 /nfs/dbraw/zinc/25/81/00/1118258100.db2.gz JZDYJIMQJQQDNU-LLVKDONJSA-N 0 1 270.307 3.818 20 0 CHADMN CN(Cc1ccco1)Cc1cc(F)cc2cccnc21 ZINC000046502797 1118262849 /nfs/dbraw/zinc/26/28/49/1118262849.db2.gz VOKNUBANAOOARX-UHFFFAOYSA-N 0 1 270.307 3.599 20 0 CHADMN Cc1ncc(CN(C)CCOc2ccc(Cl)cc2)s1 ZINC000047259458 1118268043 /nfs/dbraw/zinc/26/80/43/1118268043.db2.gz RUDKMPQOCUIWBN-UHFFFAOYSA-N 0 1 296.823 3.616 20 0 CHADMN Fc1ccc(CNCc2ccc(C(F)(F)F)cc2)cn1 ZINC000188974704 1128766528 /nfs/dbraw/zinc/76/65/28/1128766528.db2.gz JOMKBCQUQJGEHC-UHFFFAOYSA-N 0 1 284.256 3.529 20 0 CHADMN CN(Cc1ccc(Cl)nc1)[C@@H]1CCc2ccc(F)cc21 ZINC000177635754 1118270233 /nfs/dbraw/zinc/27/02/33/1118270233.db2.gz DGCMDRDPRCLPSM-OAHLLOKOSA-N 0 1 290.769 3.993 20 0 CHADMN CC[C@@H]1CCCN(Cc2nc(C(C)(C)C)co2)CC1 ZINC001652487268 1118270900 /nfs/dbraw/zinc/27/09/00/1118270900.db2.gz MRNBVYJBRVSQAF-CYBMUJFWSA-N 0 1 264.413 3.984 20 0 CHADMN CC(C)Oc1cccc([C@H](C)NCc2ccc(F)nc2)c1 ZINC000188992131 1128766813 /nfs/dbraw/zinc/76/68/13/1128766813.db2.gz IFTAIZAQNRZEHH-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cncc(Cl)c1Cl ZINC001652692187 1118274104 /nfs/dbraw/zinc/27/41/04/1118274104.db2.gz GDRUGCCKXWWBSX-KXUCPTDWSA-N 0 1 273.207 3.865 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccc(F)cc1C(=O)[O-])C(C)(C)C ZINC000399712385 1118284862 /nfs/dbraw/zinc/28/48/62/1118284862.db2.gz FYDPDKYPKMRISS-NSHDSACASA-N 0 1 281.371 3.638 20 0 CHADMN C[C@@H](NCc1c(F)cccc1Cl)[C@@]1(C)CCCO1 ZINC000340475741 1118286122 /nfs/dbraw/zinc/28/61/22/1118286122.db2.gz XZIYARXQCNHLDO-QMTHXVAHSA-N 0 1 271.763 3.526 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](CO)c2ccccc2C)c(C)o1 ZINC000683691149 1118287127 /nfs/dbraw/zinc/28/71/27/1118287127.db2.gz URNQZOQFIZQPGY-DYVFJYSZSA-N 0 1 273.376 3.589 20 0 CHADMN C[C@@H]1CC(C)(C)C[C@H]1Nc1cnn(-c2ccncc2)c1 ZINC000683692606 1118288910 /nfs/dbraw/zinc/28/89/10/1118288910.db2.gz JIBDRMKXNLEHGA-IUODEOHRSA-N 0 1 270.380 3.504 20 0 CHADMN COc1ccc(OC)c(C[N@@H+](C)CCCc2ccccc2)c1 ZINC000058581168 1118289135 /nfs/dbraw/zinc/28/91/35/1118289135.db2.gz QCXJQMKRGRHJCQ-UHFFFAOYSA-N 0 1 299.414 3.768 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc3c(n2)CCCC3)c(C)n1 ZINC000683693667 1118289683 /nfs/dbraw/zinc/28/96/83/1118289683.db2.gz ADPNYDWGRHIRMV-CQSZACIVSA-N 0 1 295.430 3.823 20 0 CHADMN CCc1ncccc1Nc1ccncc1Oc1ccccc1 ZINC001210464040 1118291987 /nfs/dbraw/zinc/29/19/87/1118291987.db2.gz QUBVORJAXPPLFP-UHFFFAOYSA-N 0 1 291.354 3.997 20 0 CHADMN CCN(Cc1nc([C@@H](C)OCC(C)C)no1)C1CCCC1 ZINC000080627214 1118293072 /nfs/dbraw/zinc/29/30/72/1118293072.db2.gz UMLMKVNJORSBSC-CYBMUJFWSA-N 0 1 295.427 3.568 20 0 CHADMN C=Cn1cc(CN2CCCC[C@@H]2c2ccccc2OC)cn1 ZINC000683700409 1118294060 /nfs/dbraw/zinc/29/40/60/1118294060.db2.gz YKJDEDDNTLFQRL-QGZVFWFLSA-N 0 1 297.402 3.719 20 0 CHADMN CCCCC[C@@H](NCc1nnc(CC)o1)C(C)(C)C ZINC000179923369 1128768036 /nfs/dbraw/zinc/76/80/36/1128768036.db2.gz SDRHYCKSYHEKHU-GFCCVEGCSA-N 0 1 267.417 3.717 20 0 CHADMN COc1cc(SC)ccc1NCc1[nH]nc2ccccc21 ZINC000683706769 1118298837 /nfs/dbraw/zinc/29/88/37/1118298837.db2.gz ALRXCFLLWWNEMJ-UHFFFAOYSA-N 0 1 299.399 3.906 20 0 CHADMN CSCc1cccc(CN[C@@H](C)c2ccncc2F)c1 ZINC000340500653 1118308102 /nfs/dbraw/zinc/30/81/02/1118308102.db2.gz VGNHEUWQTZJVHJ-LBPRGKRZSA-N 0 1 290.407 3.935 20 0 CHADMN Fc1cc(F)c(CN[C@@H]2CCC23CCC3)c(F)c1 ZINC000340501071 1118309040 /nfs/dbraw/zinc/30/90/40/1118309040.db2.gz WMJJIDRMXLSKKT-CYBMUJFWSA-N 0 1 255.283 3.526 20 0 CHADMN Cc1cc([C@H](C)NCC2(c3ccc(F)cc3F)CC2)no1 ZINC000340517556 1118315131 /nfs/dbraw/zinc/31/51/31/1118315131.db2.gz CTGQCNQAQLCWFH-NSHDSACASA-N 0 1 292.329 3.644 20 0 CHADMN Cc1ccc([C@H](N[C@@H]2CCC[C@@H]2F)C2CCC2)o1 ZINC000340524148 1118316153 /nfs/dbraw/zinc/31/61/53/1118316153.db2.gz KNGIPDSFIPSKTK-GZBFAFLISA-N 0 1 251.345 3.909 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN2CCC3(CCC3)CC2)c1 ZINC000671729740 1118316763 /nfs/dbraw/zinc/31/67/63/1118316763.db2.gz WFSMBNAJCKNOII-UHFFFAOYSA-N 0 1 286.419 3.508 20 0 CHADMN CC1(C)Cc2occc2[C@H](N[C@H]2CCC[C@H]2F)C1 ZINC000340524436 1118317242 /nfs/dbraw/zinc/31/72/42/1118317242.db2.gz SCRHGQTWKMRSHC-FRRDWIJNSA-N 0 1 251.345 3.773 20 0 CHADMN CC(C)c1cnc(CNc2ccc3nc[nH]c3c2)s1 ZINC000562825711 1118317853 /nfs/dbraw/zinc/31/78/53/1118317853.db2.gz ZPFCVBFELANNRP-UHFFFAOYSA-N 0 1 272.377 3.755 20 0 CHADMN CCC[C@H](C)[C@H](CC)NCc1ncn(-c2ccccc2)n1 ZINC000340531046 1118322152 /nfs/dbraw/zinc/32/21/52/1118322152.db2.gz RSXJJIPXWFWBSM-HOCLYGCPSA-N 0 1 286.423 3.572 20 0 CHADMN COC[C@H](NCc1csc(C)c1C)c1ccccc1 ZINC000399814144 1118325362 /nfs/dbraw/zinc/32/53/62/1118325362.db2.gz JLDRMVGWCUADJE-INIZCTEOSA-N 0 1 275.417 3.842 20 0 CHADMN Cc1scc(CN[C@H]2COCc3ccccc32)c1C ZINC000399835235 1118327903 /nfs/dbraw/zinc/32/79/03/1118327903.db2.gz COVWMOSTOPNUKM-INIZCTEOSA-N 0 1 273.401 3.726 20 0 CHADMN CCC[C@@H](C(=O)OCC)[N@H+]1CCCC2(CCCCC2)C1 ZINC001167342037 1118332717 /nfs/dbraw/zinc/33/27/17/1118332717.db2.gz PLXRQHNEUYKSTP-HNNXBMFYSA-N 0 1 281.440 3.765 20 0 CHADMN Cc1occc1CN(C)CCOc1ccc(Cl)cc1 ZINC000065599105 1118336091 /nfs/dbraw/zinc/33/60/91/1118336091.db2.gz GPCLNYQGJYNACE-UHFFFAOYSA-N 0 1 279.767 3.752 20 0 CHADMN CC1CCC(N(C(=O)c2cccc3n[nH]cc32)C2CC2)CC1 ZINC000065903671 1118339224 /nfs/dbraw/zinc/33/92/24/1118339224.db2.gz NJTRRMQWGUISHA-UHFFFAOYSA-N 0 1 297.402 3.746 20 0 CHADMN CCN(Cc1ccc(F)nc1)Cc1cccc(Cl)c1 ZINC000189297939 1128771124 /nfs/dbraw/zinc/77/11/24/1128771124.db2.gz LPGDTMMVPBENOC-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN CC[C@H]1CCCCN1Cc1nc(-c2ccsc2)no1 ZINC000066405525 1118344146 /nfs/dbraw/zinc/34/41/46/1118344146.db2.gz DVKCLBOHLPMBHL-LBPRGKRZSA-N 0 1 277.393 3.563 20 0 CHADMN CC[C@H]1CCCCN1Cc1nc(-c2cccs2)no1 ZINC000066405772 1118344714 /nfs/dbraw/zinc/34/47/14/1118344714.db2.gz ATPAZUIDFPRYQJ-NSHDSACASA-N 0 1 277.393 3.563 20 0 CHADMN C[C@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000066697200 1118347618 /nfs/dbraw/zinc/34/76/18/1118347618.db2.gz NGRJYDYHNIYELJ-ZDUSSCGKSA-N 0 1 256.349 3.574 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@@H](c3ccccc3)CC2)o1 ZINC000067231014 1118351626 /nfs/dbraw/zinc/35/16/26/1118351626.db2.gz SZEISSAEQDUHRL-MRXNPFEDSA-N 0 1 299.418 3.963 20 0 CHADMN CCOc1ncccc1CNCc1csc2ccccc12 ZINC000128871785 1118352777 /nfs/dbraw/zinc/35/27/77/1118352777.db2.gz NPSONOBLOXAHFO-UHFFFAOYSA-N 0 1 298.411 3.985 20 0 CHADMN CC(C)(C)OCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000068322243 1118361080 /nfs/dbraw/zinc/36/10/80/1118361080.db2.gz VKQDAVAHQMCQER-KRWDZBQOSA-N 0 1 284.403 3.576 20 0 CHADMN Cc1cc(C)cc(CNCc2nc3cc(F)ccc3n2C)c1 ZINC000076332511 1128772664 /nfs/dbraw/zinc/77/26/64/1128772664.db2.gz VXKGJCYQAWLVSW-UHFFFAOYSA-N 0 1 297.377 3.619 20 0 CHADMN COc1cc(CN(C)CCC(F)(F)F)ccc1SC ZINC000068813893 1118365464 /nfs/dbraw/zinc/36/54/64/1118365464.db2.gz ZUDFTWSUERUEKY-UHFFFAOYSA-N 0 1 293.354 3.801 20 0 CHADMN Clc1ccc(CNC2(c3ccccc3)CC2)cn1 ZINC000072604830 1118374608 /nfs/dbraw/zinc/37/46/08/1118374608.db2.gz VEEPIZHWTMGPRY-UHFFFAOYSA-N 0 1 258.752 3.514 20 0 CHADMN C[C@@H](NCc1ccccc1F)c1cccc(-n2cccn2)c1 ZINC000072925136 1118376996 /nfs/dbraw/zinc/37/69/96/1118376996.db2.gz HRVRHQCOQKENJU-CQSZACIVSA-N 0 1 295.361 3.862 20 0 CHADMN Fc1ccc2nc(C3(c4ccccc4)CC3)[nH]c2c1 ZINC000084437181 1118378495 /nfs/dbraw/zinc/37/84/95/1118378495.db2.gz KPRINYPPELXNDW-UHFFFAOYSA-N 0 1 252.292 3.782 20 0 CHADMN CCN(CC)[C@@H](CNC(=O)CC(C)(C)CC)c1ccco1 ZINC000073054395 1118379026 /nfs/dbraw/zinc/37/90/26/1118379026.db2.gz FHAWYCDEGRDDGL-AWEZNQCLSA-N 0 1 294.439 3.605 20 0 CHADMN Cc1cc(CN(C)Cc2ccccc2)cc(Cl)n1 ZINC000307650642 1118384727 /nfs/dbraw/zinc/38/47/27/1118384727.db2.gz HWJNWXULQZKEGI-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1ccc(CN2CCC(F)(F)[C@H](C)C2)cc1F ZINC000580136471 1118388212 /nfs/dbraw/zinc/38/82/12/1118388212.db2.gz ZUPJTQUXQBSGRX-LLVKDONJSA-N 0 1 257.299 3.611 20 0 CHADMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000086783021 1118399646 /nfs/dbraw/zinc/39/96/46/1118399646.db2.gz BITQKAKKQHKRPC-SFHVURJKSA-N 0 1 283.371 3.527 20 0 CHADMN C[C@@H]1CN(c2cc[nH+]c3c([O-])cccc23)C[C@H](C)C1(F)F ZINC000624445574 1118404882 /nfs/dbraw/zinc/40/48/82/1118404882.db2.gz MQLBOLTUJKFFTK-PHIMTYICSA-N 0 1 292.329 3.668 20 0 CHADMN CC(C)c1noc([C@H](C)N2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000044584564 1118407259 /nfs/dbraw/zinc/40/72/59/1118407259.db2.gz UVQUQOPKHYEPFY-MELADBBJSA-N 0 1 277.412 3.766 20 0 CHADMN CCC(C)(C)OCCN[C@H](C)c1nc(C)sc1C ZINC000308726700 1118413383 /nfs/dbraw/zinc/41/33/83/1118413383.db2.gz GVWJPXIBPVPUQA-SNVBAGLBSA-N 0 1 270.442 3.616 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](CC)Cc1c[nH]c2ccccc12 ZINC000580319278 1118421749 /nfs/dbraw/zinc/42/17/49/1118421749.db2.gz DLMWCSSHKZRLJY-MRXNPFEDSA-N 0 1 288.391 3.633 20 0 CHADMN Nc1ccc2cn(-c3cc(Cl)c(O)c(Cl)c3)nc2c1 ZINC001210927007 1118423990 /nfs/dbraw/zinc/42/39/90/1118423990.db2.gz GFKCIDHDWRMMGA-UHFFFAOYSA-N 0 1 294.141 3.620 20 0 CHADMN Nc1ccc2c(cnn2-c2cc(Cl)c(O)c(Cl)c2)c1 ZINC001210928021 1118425044 /nfs/dbraw/zinc/42/50/44/1118425044.db2.gz XPJRZSYTJGOVEL-UHFFFAOYSA-N 0 1 294.141 3.620 20 0 CHADMN CCCCc1nc2ccc(NC(=O)C=C(C)C)cc2[nH]1 ZINC000049428900 1118428765 /nfs/dbraw/zinc/42/87/65/1118428765.db2.gz DZCFLWYVONIQBC-UHFFFAOYSA-N 0 1 271.364 3.810 20 0 CHADMN Cc1ccc(CN[C@@H](c2ncccc2C)C(C)C)cn1 ZINC000122651072 1118433786 /nfs/dbraw/zinc/43/37/86/1118433786.db2.gz PFLSHTAENYOJSJ-MRXNPFEDSA-N 0 1 269.392 3.580 20 0 CHADMN CC(=Nc1nc(Br)ccc1O)c1ccccc1 ZINC001210981520 1118434275 /nfs/dbraw/zinc/43/42/75/1118434275.db2.gz GEOQVRKRBYNKAG-UHFFFAOYSA-N 0 1 291.148 3.633 20 0 CHADMN CCOc1cc(N=C(C)c2ccccc2)cc(C)n1 ZINC001210983769 1118434493 /nfs/dbraw/zinc/43/44/93/1118434493.db2.gz TUHUEJKSIJAYDP-UHFFFAOYSA-N 0 1 254.333 3.872 20 0 CHADMN O=C(C=CSCc1ccco1)Nc1nc2ccccc2[nH]1 ZINC000255473733 1118438552 /nfs/dbraw/zinc/43/85/52/1118438552.db2.gz MAUJWZMHBKWWLO-CLFYSBASSA-N 0 1 299.355 3.542 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H]2CCc3ccc(F)cc32)s1 ZINC000089552723 1118439731 /nfs/dbraw/zinc/43/97/31/1118439731.db2.gz QJPBSFAOAGDGER-OTYXRUKQSA-N 0 1 276.380 3.929 20 0 CHADMN Fc1cccc2c1OCC[C@H]2NCc1cc2ccccc2[nH]1 ZINC000683930864 1118449056 /nfs/dbraw/zinc/44/90/56/1118449056.db2.gz GAERPFQPABSQIF-QGZVFWFLSA-N 0 1 296.345 3.920 20 0 CHADMN Cc1cc(CN2CC[C@@H](C(=O)c3ccccc3)C2)oc1C ZINC001204539333 1118455947 /nfs/dbraw/zinc/45/59/47/1118455947.db2.gz OEOIHZFELOAEMG-MRXNPFEDSA-N 0 1 283.371 3.601 20 0 CHADMN CCn1nc(C)c(CN(CC(C)(C)C)CC(C)(C)C)n1 ZINC001658100763 1118461523 /nfs/dbraw/zinc/46/15/23/1118461523.db2.gz QFIZMULONWNYMQ-UHFFFAOYSA-N 0 1 280.460 3.501 20 0 CHADMN Cc1cc(Nc2cnccc2Cl)c2ccccc2n1 ZINC001211207752 1118477915 /nfs/dbraw/zinc/47/79/15/1118477915.db2.gz CTNQCLWWTFTXMQ-UHFFFAOYSA-N 0 1 269.735 3.757 20 0 CHADMN CCCCC[C@H](NC)c1nc(-c2ccccc2OC)no1 ZINC001212279519 1128780896 /nfs/dbraw/zinc/78/08/96/1128780896.db2.gz UUSHXOBOMJEEIV-ZDUSSCGKSA-N 0 1 289.379 3.586 20 0 CHADMN Cc1nn(C)c(Cl)c1CN1CCC(C(C)(C)C)CC1 ZINC000050346947 1118484844 /nfs/dbraw/zinc/48/48/44/1118484844.db2.gz YDIKADSERCQOCQ-UHFFFAOYSA-N 0 1 283.847 3.640 20 0 CHADMN CC(C)n1nc(-c2ccccc2)cc1Nc1cncn1C ZINC001211248045 1118487738 /nfs/dbraw/zinc/48/77/38/1118487738.db2.gz HGVZONYJONAIIV-UHFFFAOYSA-N 0 1 281.363 3.608 20 0 CHADMN Cn1cncc1Nc1cccc(SC(F)(F)F)c1 ZINC001211248793 1118487799 /nfs/dbraw/zinc/48/77/99/1118487799.db2.gz FRRXTZWHEPEDJU-UHFFFAOYSA-N 0 1 273.283 3.776 20 0 CHADMN Cc1cc(C)c(Nc2cncn2C)cc1Br ZINC001211251737 1118488388 /nfs/dbraw/zinc/48/83/88/1118488388.db2.gz NYJXTTHMSZCDMW-UHFFFAOYSA-N 0 1 280.169 3.543 20 0 CHADMN CC[C@@H](C)[C@H](CNCc1c(Cl)ccnc1Cl)OC ZINC001659834690 1118489158 /nfs/dbraw/zinc/48/91/58/1118489158.db2.gz FVGAFIACLRFBBI-SKDRFNHKSA-N 0 1 291.222 3.539 20 0 CHADMN c1cc2c(s1)CN(Cc1cc3ccccc3[nH]1)CC2 ZINC000684021590 1118489906 /nfs/dbraw/zinc/48/99/06/1118489906.db2.gz PUDRQPYPSPQBOR-UHFFFAOYSA-N 0 1 268.385 3.788 20 0 CHADMN CC(C)c1nsc(CN2[C@H](C)C[C@H]3CCCC[C@@H]32)n1 ZINC001167433797 1118502388 /nfs/dbraw/zinc/50/23/88/1118502388.db2.gz MCHGRINHIARYAR-UPJWGTAASA-N 0 1 279.453 3.815 20 0 CHADMN Cc1c(CN(C)C/C=C/c2ccc(Cl)cc2)cnn1C ZINC000684107203 1118520502 /nfs/dbraw/zinc/52/05/02/1118520502.db2.gz AUABIRDCNVSCGE-SNAWJCMRSA-N 0 1 289.810 3.527 20 0 CHADMN c1ccc2c(c1)Oc1ccccc1C2N[C@@H]1CCCOC1 ZINC000109544542 1118530947 /nfs/dbraw/zinc/53/09/47/1118530947.db2.gz CZOOYWRYVIVGGD-CYBMUJFWSA-N 0 1 281.355 3.650 20 0 CHADMN COc1cc(F)c(F)cc1CN1CCC12CCCCC2 ZINC001143386657 1118532726 /nfs/dbraw/zinc/53/27/26/1118532726.db2.gz NBKAKDRNJCMPBK-UHFFFAOYSA-N 0 1 281.346 3.882 20 0 CHADMN CC1(C)[C@H](c2ccccc2)CC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000581016733 1118534141 /nfs/dbraw/zinc/53/41/41/1118534141.db2.gz CWBYMWCDUISVJZ-HNNXBMFYSA-N 0 1 287.403 3.509 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3ccc(F)cc3Br)C[C@@H]21 ZINC000380311955 1118534664 /nfs/dbraw/zinc/53/46/64/1118534664.db2.gz VPIDQUAYTJWQBO-TXEJJXNPSA-N 0 1 298.199 3.676 20 0 CHADMN COc1cc(F)c(F)cc1CN1[C@@H](C)CCC[C@@H]1C ZINC001143387385 1118535007 /nfs/dbraw/zinc/53/50/07/1118535007.db2.gz GQVFPIPZIDFXRM-QWRGUYRKSA-N 0 1 269.335 3.736 20 0 CHADMN Cc1cc(OCc2cc(-c3ccccc3)on2)cc(C)n1 ZINC000128146538 1118537795 /nfs/dbraw/zinc/53/77/95/1118537795.db2.gz FUEBWKXQPNUGDD-UHFFFAOYSA-N 0 1 280.327 3.932 20 0 CHADMN CC(C)(C)c1cnc(CN2CCC[C@H]2C2CC2)s1 ZINC000684142675 1118539306 /nfs/dbraw/zinc/53/93/06/1118539306.db2.gz CGVGDKDVGKFYFM-LBPRGKRZSA-N 0 1 264.438 3.815 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2ccc3c(n2)CCC3)cc1 ZINC000656408645 1118542462 /nfs/dbraw/zinc/54/24/62/1118542462.db2.gz CPJRUEGYJXDPPC-AWEZNQCLSA-N 0 1 296.414 3.772 20 0 CHADMN CCCc1cc(-c2nc([C@H]3CCCN3)no2)ccc1Cl ZINC000647145823 1118547281 /nfs/dbraw/zinc/54/72/81/1118547281.db2.gz FKTVOUUWLBEHSC-CYBMUJFWSA-N 0 1 291.782 3.767 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccoc1 ZINC000156919933 1118549068 /nfs/dbraw/zinc/54/90/68/1118549068.db2.gz CKEJALNKBCCNFM-UONOGXRCSA-N 0 1 298.386 3.818 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@@H]2C2CC2)c1Br ZINC000656433250 1118549670 /nfs/dbraw/zinc/54/96/70/1118549670.db2.gz YWZKZVWQBYVKMA-GFCCVEGCSA-N 0 1 296.208 3.529 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@@H]2C2CC2)c1Br ZINC000656433250 1118549671 /nfs/dbraw/zinc/54/96/71/1118549671.db2.gz YWZKZVWQBYVKMA-GFCCVEGCSA-N 0 1 296.208 3.529 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1ccc(C(C)(C)CC)cc1 ZINC000684169588 1118550127 /nfs/dbraw/zinc/55/01/27/1118550127.db2.gz YEWUXPRCGZNIJS-UHFFFAOYSA-N 0 1 285.391 3.912 20 0 CHADMN CC[C@H](CC1CCCCC1)c1nc([C@H]2CCCN2)no1 ZINC000647149317 1118553940 /nfs/dbraw/zinc/55/39/40/1118553940.db2.gz JPHANWDDXWVMAE-ZIAGYGMSSA-N 0 1 277.412 3.958 20 0 CHADMN Cc1cc2cc(-c3nc([C@@H]4CCCN4)no3)oc2cc1C ZINC000647149419 1118554728 /nfs/dbraw/zinc/55/47/28/1118554728.db2.gz LOEXVTAAKFSKDZ-LBPRGKRZSA-N 0 1 283.331 3.524 20 0 CHADMN CC(C)Sc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1 ZINC000647152991 1118562500 /nfs/dbraw/zinc/56/25/00/1118562500.db2.gz RABSQPYLEQVFCW-ZDUSSCGKSA-N 0 1 289.404 3.662 20 0 CHADMN CSc1ccc2nc(-c3ccnn3CC3CC3)[nH]c2c1 ZINC000656484665 1118563954 /nfs/dbraw/zinc/56/39/54/1118563954.db2.gz BVODBAQLCQLUAP-UHFFFAOYSA-N 0 1 284.388 3.558 20 0 CHADMN Cc1cc2[nH]c([C@@H]3CCCC(F)(F)C3)nc(=O)c2s1 ZINC000656492211 1118565353 /nfs/dbraw/zinc/56/53/53/1118565353.db2.gz ZCXIWDPCUUBMSG-MRVPVSSYSA-N 0 1 284.331 3.998 20 0 CHADMN Fc1ccc(C2(NCc3ccc4c(n3)CCC4)CCC2)cc1 ZINC000656494603 1118566418 /nfs/dbraw/zinc/56/64/18/1118566418.db2.gz VMTMDOQUSVTJNN-UHFFFAOYSA-N 0 1 296.389 3.878 20 0 CHADMN Cc1cc(F)c(CN2CCC([C@@H]3CCOC3)CC2)c(F)c1 ZINC000644902064 1118569045 /nfs/dbraw/zinc/56/90/45/1118569045.db2.gz AJAZTIMCJHKSBF-CQSZACIVSA-N 0 1 295.373 3.522 20 0 CHADMN COCC[C@@H](NCc1csc(C)c1C)c1ccco1 ZINC000631112222 1118576707 /nfs/dbraw/zinc/57/67/07/1118576707.db2.gz YQRAPOHSAQZJRU-CQSZACIVSA-N 0 1 279.405 3.825 20 0 CHADMN C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc2c(n1)CCC2 ZINC000656535149 1118585423 /nfs/dbraw/zinc/58/54/23/1118585423.db2.gz GCZWNHCLRBNIFY-AAEUAGOBSA-N 0 1 298.352 3.733 20 0 CHADMN Cc1ccc(N2CCN([C@@H](C)c3ccncc3)CC2)cc1C ZINC000071711669 1118591619 /nfs/dbraw/zinc/59/16/19/1118591619.db2.gz DVPYMLNITGSUAH-KRWDZBQOSA-N 0 1 295.430 3.582 20 0 CHADMN Cc1cnc(CN[C@@H](C)c2cc3ccccc3s2)n1C ZINC000341045233 1118592606 /nfs/dbraw/zinc/59/26/06/1118592606.db2.gz KMLRGROFUGICNT-LBPRGKRZSA-N 0 1 285.416 3.794 20 0 CHADMN NC1(c2noc(-c3cc(Cl)cc4ccccc43)n2)CCC1 ZINC000656560852 1118595214 /nfs/dbraw/zinc/59/52/14/1118595214.db2.gz KKHGCXGSMHABFL-UHFFFAOYSA-N 0 1 299.761 3.881 20 0 CHADMN CC[C@@H]1C[C@@H](CN2CCc3sc(Cl)cc3C2)CCO1 ZINC000581430124 1118595628 /nfs/dbraw/zinc/59/56/28/1118595628.db2.gz LBRIHSWQABMHTD-WCQYABFASA-N 0 1 299.867 3.965 20 0 CHADMN Cc1ccc(CNCc2nc3cc(F)ccc3n2C)c(C)c1 ZINC000076758940 1128788606 /nfs/dbraw/zinc/78/86/06/1128788606.db2.gz YVACENKYIRBTLT-UHFFFAOYSA-N 0 1 297.377 3.619 20 0 CHADMN Nc1ncccc1CN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000656635641 1118614965 /nfs/dbraw/zinc/61/49/65/1118614965.db2.gz MGQLHXHKOWWZKV-KRWDZBQOSA-N 0 1 293.414 3.781 20 0 CHADMN COc1cccc(OC)c1CN[C@@H](C)c1ccccc1C ZINC000656679452 1118633590 /nfs/dbraw/zinc/63/35/90/1118633590.db2.gz ISSACRWUVRKMHT-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN COc1cc(CN2CC3(CC(F)C3)C2)cc2ccccc21 ZINC000656693962 1118638227 /nfs/dbraw/zinc/63/82/27/1118638227.db2.gz ZUVCKYOPBACXLS-UHFFFAOYSA-N 0 1 285.362 3.782 20 0 CHADMN FC1CC2(C1)CN(Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000656694254 1118638330 /nfs/dbraw/zinc/63/83/30/1118638330.db2.gz NOSCFCUVVAZADL-UHFFFAOYSA-N 0 1 289.272 3.519 20 0 CHADMN C[C@H](CN1CC2(CC(F)C2)C1)c1cccc(Cl)c1 ZINC000656695299 1118638460 /nfs/dbraw/zinc/63/84/60/1118638460.db2.gz GYOGGLFPDRRPKG-LLVKDONJSA-N 0 1 267.775 3.877 20 0 CHADMN COc1ccc(CN2CC(C(F)F)C2)c2ccccc12 ZINC000656690186 1118639019 /nfs/dbraw/zinc/63/90/19/1118639019.db2.gz FKFYOSWDYGOORI-UHFFFAOYSA-N 0 1 277.314 3.545 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@H](CCF)C2)c1Cl ZINC000656762740 1118651554 /nfs/dbraw/zinc/65/15/54/1118651554.db2.gz FXJGGOCTPSYIFA-LLVKDONJSA-N 0 1 299.773 3.610 20 0 CHADMN CCOCc1ccccc1CN[C@H](C)c1cnc(C)s1 ZINC000090401400 1118651812 /nfs/dbraw/zinc/65/18/12/1118651812.db2.gz GDFOBWCIKGPGNC-GFCCVEGCSA-N 0 1 290.432 3.839 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](C)c2ccc3c(c2)OCO3)s1 ZINC000090401772 1118655016 /nfs/dbraw/zinc/65/50/16/1118655016.db2.gz XVGJJRQKWNLYTB-VHSXEESVSA-N 0 1 290.388 3.592 20 0 CHADMN CCc1ccc(C)nc1NCc1ccc(-c2cc[nH]n2)o1 ZINC000656779403 1118655642 /nfs/dbraw/zinc/65/56/42/1118655642.db2.gz WRGICRFFLIDSKP-UHFFFAOYSA-N 0 1 282.347 3.548 20 0 CHADMN Cc1nn(C(C)C)cc1CNc1nccc(C)c1C1CC1 ZINC000656778789 1118656227 /nfs/dbraw/zinc/65/62/27/1118656227.db2.gz AUHMMTUMESNXFV-UHFFFAOYSA-N 0 1 284.407 3.965 20 0 CHADMN Nc1ccc2c(c1)CC[C@H]2NCc1cccc(Cl)c1F ZINC000656792255 1118658880 /nfs/dbraw/zinc/65/88/80/1118658880.db2.gz SIATVNRTMLCSNH-OAHLLOKOSA-N 0 1 290.769 3.838 20 0 CHADMN Cc1cccc2ncc(C[N@H+]3CCC=C(c4ccco4)C3)n21 ZINC000348679018 1118665767 /nfs/dbraw/zinc/66/57/67/1118665767.db2.gz YPNJOXGCJIEYSZ-UHFFFAOYSA-N 0 1 293.370 3.525 20 0 CHADMN Cc1cccc2ncc(CN3CCC=C(c4ccco4)C3)n21 ZINC000348679018 1118665769 /nfs/dbraw/zinc/66/57/69/1118665769.db2.gz YPNJOXGCJIEYSZ-UHFFFAOYSA-N 0 1 293.370 3.525 20 0 CHADMN CC(C)[C@H]1CCC[C@@H](Nc2cnn(-c3ccncc3)c2)C1 ZINC000684390204 1118675474 /nfs/dbraw/zinc/67/54/74/1118675474.db2.gz AAZYJXDWZDTHLE-LSDHHAIUSA-N 0 1 284.407 3.894 20 0 CHADMN C[C@H](NCCOC(C)(C)C)c1nc2ccccc2s1 ZINC000308691336 1118683062 /nfs/dbraw/zinc/68/30/62/1118683062.db2.gz JYGMONXPOZDNAK-NSHDSACASA-N 0 1 278.421 3.762 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2CCc3c2cccc3F)s1 ZINC000090406004 1118696371 /nfs/dbraw/zinc/69/63/71/1118696371.db2.gz ICZIRGUCPBATMI-LKFCYVNXSA-N 0 1 276.380 3.929 20 0 CHADMN c1ccc2cc(-c3nnc([C@@H]4CCCCN4)o3)ccc2c1 ZINC000083589946 1118705436 /nfs/dbraw/zinc/70/54/36/1118705436.db2.gz HQCSYAOMXDVPEP-HNNXBMFYSA-N 0 1 279.343 3.704 20 0 CHADMN C[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1C ZINC001167487215 1118720048 /nfs/dbraw/zinc/72/00/48/1118720048.db2.gz HWQITMGYLACDRM-UWVGGRQHSA-N 0 1 286.188 3.676 20 0 CHADMN C[C@H]1COc2ccccc2CN1Cc1cccs1 ZINC000341492102 1118716637 /nfs/dbraw/zinc/71/66/37/1118716637.db2.gz WGICRSZIOUKIIE-LBPRGKRZSA-N 0 1 259.374 3.531 20 0 CHADMN Cc1cc(F)ncc1CN(Cc1cccs1)C1CC1 ZINC000891600650 1118719630 /nfs/dbraw/zinc/71/96/30/1118719630.db2.gz VEIKGDNLOOWHHW-UHFFFAOYSA-N 0 1 276.380 3.755 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccsc1)c1coc2ccccc21 ZINC000926198898 1118719749 /nfs/dbraw/zinc/71/97/49/1118719749.db2.gz MPTMBFHMURAJIZ-NHYWBVRUSA-N 0 1 287.384 3.879 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](CO)CC1 ZINC000293290400 1118731264 /nfs/dbraw/zinc/73/12/64/1118731264.db2.gz VYTOLNAOOPKZIN-RYUDHWBXSA-N 0 1 285.790 3.635 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)N1CCC[C@H](CO)CC1 ZINC000293290400 1118731266 /nfs/dbraw/zinc/73/12/66/1118731266.db2.gz VYTOLNAOOPKZIN-RYUDHWBXSA-N 0 1 285.790 3.635 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnc(C)s1)c1ccncc1 ZINC000090417910 1118733038 /nfs/dbraw/zinc/73/30/38/1118733038.db2.gz GPEGUPKFIWFBOY-GWCFXTLKSA-N 0 1 261.394 3.648 20 0 CHADMN CCc1nn(C)c(CC)c1CN(C)Cc1sccc1C ZINC000349546691 1118734046 /nfs/dbraw/zinc/73/40/46/1118734046.db2.gz XJGUKLCXHABQCS-UHFFFAOYSA-N 0 1 291.464 3.547 20 0 CHADMN Cc1c([C@@H](C)NC/C=C\Cl)cnn1-c1ccc(F)cc1 ZINC000588437206 1118736827 /nfs/dbraw/zinc/73/68/27/1118736827.db2.gz ZHKQJGOQLBOFGB-UVYAAXSVSA-N 0 1 293.773 3.723 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN1CCOCC2(CC2)C1 ZINC000341558585 1118741357 /nfs/dbraw/zinc/74/13/57/1118741357.db2.gz FNTRCYVPZXLDMG-UHFFFAOYSA-N 0 1 279.811 3.569 20 0 CHADMN COc1ccc(F)c(F)c1CN(C)C1CCCCC1 ZINC001143405452 1118744011 /nfs/dbraw/zinc/74/40/11/1118744011.db2.gz WXFSMVFWBGFNPR-UHFFFAOYSA-N 0 1 269.335 3.738 20 0 CHADMN CCCCN(CC)Cc1c(F)c(F)ccc1OC ZINC001143405536 1118745543 /nfs/dbraw/zinc/74/55/43/1118745543.db2.gz YXGIEVCVRPVZAI-UHFFFAOYSA-N 0 1 257.324 3.595 20 0 CHADMN CCSc1cccc(CN[C@H](CO)c2ccsc2)c1 ZINC000349561503 1118749583 /nfs/dbraw/zinc/74/95/83/1118749583.db2.gz ATHUSNXTTVWVMP-OAHLLOKOSA-N 0 1 293.457 3.683 20 0 CHADMN CCN(Cc1ccc(OC)o1)[C@H](C)c1cccc(O)c1 ZINC000891713462 1118750253 /nfs/dbraw/zinc/75/02/53/1118750253.db2.gz FSGKKHRKFKNPME-GFCCVEGCSA-N 0 1 275.348 3.577 20 0 CHADMN CC[C@H](c1ccc(F)cc1)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634754335 1118750485 /nfs/dbraw/zinc/75/04/85/1118750485.db2.gz ZLHJWYHEQDVPQD-ZIAGYGMSSA-N 0 1 287.325 3.633 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N1CCO[C@@H](C(F)F)CC1 ZINC000634754335 1118750488 /nfs/dbraw/zinc/75/04/88/1118750488.db2.gz ZLHJWYHEQDVPQD-ZIAGYGMSSA-N 0 1 287.325 3.633 20 0 CHADMN Fc1cccc(C[C@@H]2CCCN2Cc2nccn2C2CC2)c1 ZINC000891733732 1118753419 /nfs/dbraw/zinc/75/34/19/1118753419.db2.gz GKMXOTRAHPJVQS-KRWDZBQOSA-N 0 1 299.393 3.564 20 0 CHADMN C[C@H](NCc1coc2ccccc12)c1ccccn1 ZINC000130930730 1118758186 /nfs/dbraw/zinc/75/81/86/1118758186.db2.gz UOHJINFLBXPQEI-LBPRGKRZSA-N 0 1 252.317 3.679 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@@H+](C)CC1(O)CCCC1 ZINC000087463924 1118762462 /nfs/dbraw/zinc/76/24/62/1118762462.db2.gz XAYUMKAXKKSWHS-GFCCVEGCSA-N 0 1 267.800 3.638 20 0 CHADMN CC(C)OCCN[C@@H](C)c1ccccc1Br ZINC000088162713 1118772657 /nfs/dbraw/zinc/77/26/57/1118772657.db2.gz UHUSPIIIDGHRDO-NSHDSACASA-N 0 1 286.213 3.525 20 0 CHADMN COC[C@@H](C)N[C@@H](C)c1cc(Cl)sc1Cl ZINC000131910175 1118773617 /nfs/dbraw/zinc/77/36/17/1118773617.db2.gz QSVZLVDMSLWAKH-RQJHMYQMSA-N 0 1 268.209 3.740 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(Cl)o2)cc1 ZINC000088218672 1118773800 /nfs/dbraw/zinc/77/38/00/1118773800.db2.gz RWDWZVWTHCVEIS-JTQLQIEISA-N 0 1 265.740 3.792 20 0 CHADMN CCc1nnc([C@@H](C)N[C@@H](C)C(C)(C)c2ccccc2)o1 ZINC000341642455 1118774930 /nfs/dbraw/zinc/77/49/30/1118774930.db2.gz VCZBOIOYEDPEKY-OLZOCXBDSA-N 0 1 287.407 3.649 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccc(O)cc2)cnc1F ZINC000891795956 1118778500 /nfs/dbraw/zinc/77/85/00/1118778500.db2.gz FZBOTMGFHGJUEF-INIZCTEOSA-N 0 1 286.350 3.572 20 0 CHADMN CC[C@]1(C)CCN(CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000468119136 1118779283 /nfs/dbraw/zinc/77/92/83/1118779283.db2.gz GIWXLUSFSZKOBP-MRXNPFEDSA-N 0 1 294.826 3.709 20 0 CHADMN COc1ccc2ccccc2c1CN1CCO[C@@H]2CCC[C@H]21 ZINC000510645628 1118781469 /nfs/dbraw/zinc/78/14/69/1118781469.db2.gz NPCMTGKQROJJAS-IEBWSBKVSA-N 0 1 297.398 3.602 20 0 CHADMN Cc1ccccc1-n1nccc1CN1CC(C)=C[C@@H](C)C1 ZINC000430880266 1118782462 /nfs/dbraw/zinc/78/24/62/1118782462.db2.gz WPNURAUWHRFVPE-CQSZACIVSA-N 0 1 281.403 3.579 20 0 CHADMN Cc1nnsc1CN[C@H](C)c1cccc2ccccc21 ZINC000293854351 1118789834 /nfs/dbraw/zinc/78/98/34/1118789834.db2.gz XKSIFZGYWZWHAR-LLVKDONJSA-N 0 1 283.400 3.851 20 0 CHADMN CC[C@]1(C)CCCN(Cc2cc(F)cc(F)c2)C1 ZINC001167493284 1118793490 /nfs/dbraw/zinc/79/34/90/1118793490.db2.gz XRFNBOQUELCDAM-OAHLLOKOSA-N 0 1 253.336 3.977 20 0 CHADMN Clc1ccc(-c2n[nH]c(SC3CCC3)n2)cc1 ZINC000430963795 1118794659 /nfs/dbraw/zinc/79/46/59/1118794659.db2.gz BNOSPJKBVDWPPA-UHFFFAOYSA-N 0 1 265.769 3.770 20 0 CHADMN C[C@H](NCCOc1cccc(C(C)(C)C)c1)c1cnccn1 ZINC000089722897 1118796472 /nfs/dbraw/zinc/79/64/72/1118796472.db2.gz UPISTNDUTJMDDR-AWEZNQCLSA-N 0 1 299.418 3.504 20 0 CHADMN C[C@H](C#N)CN(C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000068870429 1128801944 /nfs/dbraw/zinc/80/19/44/1128801944.db2.gz RKMVWAVPJFHBLD-GFCCVEGCSA-N 0 1 298.386 3.609 20 0 CHADMN CC(C)(C)c1coc(C[N@H+]2CCC[C@H]2C2CCC2)n1 ZINC000891868691 1118814614 /nfs/dbraw/zinc/81/46/14/1118814614.db2.gz LRSBFPJLHRPTFT-ZDUSSCGKSA-N 0 1 262.397 3.737 20 0 CHADMN CC(C)(C)c1coc(CN2CCC[C@H]2C2CCC2)n1 ZINC000891868691 1118814620 /nfs/dbraw/zinc/81/46/20/1118814620.db2.gz LRSBFPJLHRPTFT-ZDUSSCGKSA-N 0 1 262.397 3.737 20 0 CHADMN C[C@@H](F)CCN(C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000510794991 1118818614 /nfs/dbraw/zinc/81/86/14/1118818614.db2.gz FSVRJOIHRNJXBN-RHSMWYFYSA-N 0 1 277.383 3.705 20 0 CHADMN C[C@@H](NC(CF)CF)[C@H](C)c1ccc(Cl)cc1 ZINC000449379406 1118819626 /nfs/dbraw/zinc/81/96/26/1118819626.db2.gz HZGJUVOQRCOLRI-VHSXEESVSA-N 0 1 261.743 3.729 20 0 CHADMN CCN(Cc1cc(O)ccc1Br)C1CCCC1 ZINC000132163156 1118829081 /nfs/dbraw/zinc/82/90/81/1118829081.db2.gz QVBRFUUYQYVZCN-UHFFFAOYSA-N 0 1 298.224 3.919 20 0 CHADMN CCCCOc1ccc(CNCc2ccoc2)cc1 ZINC000132162356 1118829093 /nfs/dbraw/zinc/82/90/93/1118829093.db2.gz GBVJEBDKESHGEL-UHFFFAOYSA-N 0 1 259.349 3.748 20 0 CHADMN Cc1nocc1CN[C@H](CC(C)C)c1ccccc1 ZINC000293972854 1118839114 /nfs/dbraw/zinc/83/91/14/1118839114.db2.gz DENKZGSBKFROFF-MRXNPFEDSA-N 0 1 258.365 3.860 20 0 CHADMN CCOc1cccc(CNc2cc[nH+]c3c([O-])cccc23)c1 ZINC000684567300 1118848109 /nfs/dbraw/zinc/84/81/09/1118848109.db2.gz FJLAYROTSHTSJV-UHFFFAOYSA-N 0 1 294.354 3.951 20 0 CHADMN [O-]c1cccc2c(NCc3ccc(F)cc3F)cc[nH+]c12 ZINC000684571733 1118854372 /nfs/dbraw/zinc/85/43/72/1118854372.db2.gz OCVJPNIAGLUSIY-UHFFFAOYSA-N 0 1 286.281 3.831 20 0 CHADMN CCC(CC)(CCO)CNc1cc[nH+]c2c([O-])cccc12 ZINC000684575525 1118860505 /nfs/dbraw/zinc/86/05/05/1118860505.db2.gz UEVBUXFMGRKWMN-UHFFFAOYSA-N 0 1 288.391 3.541 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1nccn1C1CC1)C1CC1 ZINC000891943666 1118862073 /nfs/dbraw/zinc/86/20/73/1118862073.db2.gz TUCBZMMFDZUMNT-CHWSQXEVSA-N 0 1 261.413 3.617 20 0 CHADMN [O-]c1cccc2c(N3CC=C(C(F)(F)F)CC3)cc[nH+]c12 ZINC000684579457 1118867138 /nfs/dbraw/zinc/86/71/38/1118867138.db2.gz LRDZRUIILKUHHU-UHFFFAOYSA-N 0 1 294.276 3.639 20 0 CHADMN C[C@@H](CNc1cc[nH+]c2c([O-])cccc12)c1nccs1 ZINC000684580909 1118868680 /nfs/dbraw/zinc/86/86/80/1118868680.db2.gz FNDMIINXHSMMJN-JTQLQIEISA-N 0 1 285.372 3.613 20 0 CHADMN CSc1cc(CNc2cc[nH+]c3c([O-])cccc23)ccn1 ZINC000684581556 1118869261 /nfs/dbraw/zinc/86/92/61/1118869261.db2.gz YDYWPRBJRQOPOK-UHFFFAOYSA-N 0 1 297.383 3.669 20 0 CHADMN CC1(C)C[C@@H](Nc2cc[nH+]c3c([O-])cccc23)C(C)(C)O1 ZINC000684580875 1118869442 /nfs/dbraw/zinc/86/94/42/1118869442.db2.gz MLNXTJGBJNCRKN-CQSZACIVSA-N 0 1 286.375 3.698 20 0 CHADMN C[C@@H]1C[C@@H](CCNc2cc[nH+]c3c([O-])cccc23)CCO1 ZINC000684582172 1118870691 /nfs/dbraw/zinc/87/06/91/1118870691.db2.gz WPZXECKZWAAHPN-OLZOCXBDSA-N 0 1 286.375 3.558 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC001140503570 1118871415 /nfs/dbraw/zinc/87/14/15/1118871415.db2.gz DCQXLTWFGQSQPF-QGZVFWFLSA-N 0 1 283.371 3.968 20 0 CHADMN CC[C@@H](NCc1cscc1C)c1cccc(OC)n1 ZINC000926301319 1118874109 /nfs/dbraw/zinc/87/41/09/1118874109.db2.gz GBNSKGOTXUSANS-CYBMUJFWSA-N 0 1 276.405 3.701 20 0 CHADMN Cc1cscc1CN[C@H](C)c1ccnn1CC1CCC1 ZINC000926302965 1118878741 /nfs/dbraw/zinc/87/87/41/1118878741.db2.gz KQBCMFVXAKSIBQ-CYBMUJFWSA-N 0 1 289.448 3.904 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000535776867 1118885125 /nfs/dbraw/zinc/88/51/25/1118885125.db2.gz GQWOSADSVJWFQV-UWVGGRQHSA-N 0 1 295.789 3.933 20 0 CHADMN C[C@H](N[C@H](CCO)C1CCCC1)c1ncc(C(C)(C)C)o1 ZINC000934012842 1118891947 /nfs/dbraw/zinc/89/19/47/1118891947.db2.gz YAJGPKZHCVEZPC-GXTWGEPZSA-N 0 1 294.439 3.564 20 0 CHADMN CCCCCC[C@@](C)(CCC)C(=O)N[C@H](C)c1nnc[nH]1 ZINC000176202245 1118894619 /nfs/dbraw/zinc/89/46/19/1118894619.db2.gz AWHCMQJVFBIYJO-CZUORRHYSA-N 0 1 294.443 3.759 20 0 CHADMN Cc1occc1CN(C)Cc1ccnc2ccccc12 ZINC000535829807 1118901726 /nfs/dbraw/zinc/90/17/26/1118901726.db2.gz YIXHAVMQLOERQT-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN Cc1nccc(CNC(C)(C)c2ccc(C(C)C)cc2)n1 ZINC000684619459 1118907989 /nfs/dbraw/zinc/90/79/89/1118907989.db2.gz YNUVXYZQSMJYTG-UHFFFAOYSA-N 0 1 283.419 3.933 20 0 CHADMN Cc1ccccc1[C@H](NCc1ccnc(C)n1)C(C)(C)C ZINC000684619549 1118908054 /nfs/dbraw/zinc/90/80/54/1118908054.db2.gz CUWBRUHYIXSAKY-KRWDZBQOSA-N 0 1 283.419 3.970 20 0 CHADMN CCCCN1C(=O)N=NC1SC[C@@H](CC)CC(F)F ZINC000657233795 1118927138 /nfs/dbraw/zinc/92/71/38/1118927138.db2.gz FBNGZXGDCSJGTQ-VIFPVBQESA-N 0 1 293.383 3.557 20 0 CHADMN Cc1cccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)n1 ZINC000013993297 1118928356 /nfs/dbraw/zinc/92/83/56/1118928356.db2.gz NVURXZLHQZKVFY-IBGZPJMESA-N 0 1 296.414 3.571 20 0 CHADMN Oc1ccccc1-c1n[nH]c(SCCCC2CCC2)n1 ZINC000657239504 1118929206 /nfs/dbraw/zinc/92/92/06/1118929206.db2.gz OTNBZXBPNNFPQU-UHFFFAOYSA-N 0 1 289.404 3.850 20 0 CHADMN COc1cccc(CSc2nc(C3CC3)n[nH]2)c1Cl ZINC000657240311 1118930596 /nfs/dbraw/zinc/93/05/96/1118930596.db2.gz DEXDOUYWJUUYDB-UHFFFAOYSA-N 0 1 295.795 3.636 20 0 CHADMN COc1cccc(CSc2n[nH]c(C3CC3)n2)c1Cl ZINC000657240311 1118930600 /nfs/dbraw/zinc/93/06/00/1118930600.db2.gz DEXDOUYWJUUYDB-UHFFFAOYSA-N 0 1 295.795 3.636 20 0 CHADMN c1nc2c(s1)CCC[C@H]2NCCCOc1ccccc1 ZINC000623855138 1118941710 /nfs/dbraw/zinc/94/17/10/1118941710.db2.gz QRLQFDKBPLIZKA-CQSZACIVSA-N 0 1 288.416 3.579 20 0 CHADMN Clc1cnc(CN[C@H]2C[C@H]2C2CCCCC2)s1 ZINC000472047147 1118947735 /nfs/dbraw/zinc/94/77/35/1118947735.db2.gz DLTZGJOUSKORFS-QWRGUYRKSA-N 0 1 270.829 3.855 20 0 CHADMN CCc1ccc([C@H](C)NCc2cccnc2OC)s1 ZINC000041631573 1118948677 /nfs/dbraw/zinc/94/86/77/1118948677.db2.gz AAUBEUVLGGDUGC-NSHDSACASA-N 0 1 276.405 3.565 20 0 CHADMN COc1ccc(CN2CCS[C@@H](c3ccccc3)C2)o1 ZINC000892052074 1118949209 /nfs/dbraw/zinc/94/92/09/1118949209.db2.gz JLEVOMSLKOZIEU-OAHLLOKOSA-N 0 1 289.400 3.578 20 0 CHADMN CCCc1ccc(CN[C@H](C)c2cncs2)cc1 ZINC000934194271 1118962387 /nfs/dbraw/zinc/96/23/87/1118962387.db2.gz BPVSDGKIYXSBHT-GFCCVEGCSA-N 0 1 260.406 3.946 20 0 CHADMN Cc1ccc(CNCc2cccc(OC3CC3)c2F)cc1 ZINC000657291714 1118962444 /nfs/dbraw/zinc/96/24/44/1118962444.db2.gz VARQPZDIMSKALZ-UHFFFAOYSA-N 0 1 285.362 3.965 20 0 CHADMN COC[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000062161084 1118964250 /nfs/dbraw/zinc/96/42/50/1118964250.db2.gz NPOPVNSTOMDDKD-LLVKDONJSA-N 0 1 288.218 3.852 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1c(Cl)ccnc1Cl ZINC001216300403 1118970317 /nfs/dbraw/zinc/97/03/17/1118970317.db2.gz NNQSAFAVQSPRNK-UHFFFAOYSA-N 0 1 293.157 3.618 20 0 CHADMN CCCCC1(NCc2nnc(-c3ccccc3)o2)CC1 ZINC000934209081 1118971530 /nfs/dbraw/zinc/97/15/30/1118971530.db2.gz SKDXLRIWNPWAHV-UHFFFAOYSA-N 0 1 271.364 3.549 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@H]2CC(=O)c2ccccc2)o1 ZINC000892117616 1118973828 /nfs/dbraw/zinc/97/38/28/1118973828.db2.gz OOJKBMODLRRMMK-HNNXBMFYSA-N 0 1 299.370 3.526 20 0 CHADMN COc1ccc(CN2CCC[C@H]2CC(=O)c2ccccc2)o1 ZINC000892117616 1118973831 /nfs/dbraw/zinc/97/38/31/1118973831.db2.gz OOJKBMODLRRMMK-HNNXBMFYSA-N 0 1 299.370 3.526 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1nc2cc(F)ccc2o1 ZINC000151896761 1118979463 /nfs/dbraw/zinc/97/94/63/1118979463.db2.gz PQYNAECIWVFWSP-WDEREUQCSA-N 0 1 262.328 3.587 20 0 CHADMN CC(C)(C)c1coc(CNC[C@@H]2CCCC23CC3)n1 ZINC000724380447 1118983375 /nfs/dbraw/zinc/98/33/75/1118983375.db2.gz CPLFDJIRZQWLKX-LBPRGKRZSA-N 0 1 262.397 3.642 20 0 CHADMN C[C@H]1CCN(Cc2cnn(C)c2C2CC2)[C@@H](c2ccco2)C1 ZINC000892152797 1118988675 /nfs/dbraw/zinc/98/86/75/1118988675.db2.gz IVQOHAHYAXFVEP-XJKSGUPXSA-N 0 1 299.418 3.864 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccco1 ZINC000152030121 1118996512 /nfs/dbraw/zinc/99/65/12/1118996512.db2.gz FATCDXYMPSXUOA-HNNXBMFYSA-N 0 1 257.333 3.592 20 0 CHADMN CC=CC=CC(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC000119665997 1118998420 /nfs/dbraw/zinc/99/84/20/1118998420.db2.gz JKFWSMOODKYQTF-LJIKRCSCSA-N 0 1 296.374 3.666 20 0 CHADMN CS[C@@H]1CCCC[C@H]1NCc1nc(C(C)(C)C)co1 ZINC000724432828 1119002141 /nfs/dbraw/zinc/00/21/41/1119002141.db2.gz CKQQKNQZQNYVIQ-VXGBXAGGSA-N 0 1 282.453 3.736 20 0 CHADMN CC[C@H]1CCC[C@H]1NCc1nc(C(C)(C)C)co1 ZINC000724433415 1119002701 /nfs/dbraw/zinc/00/27/01/1119002701.db2.gz HYLWQTDEWCFZAO-NWDGAFQWSA-N 0 1 250.386 3.640 20 0 CHADMN CC(C)(C)c1ccc(CNCc2ccnn2CC2CC2)cc1 ZINC000657336179 1119008568 /nfs/dbraw/zinc/00/85/68/1119008568.db2.gz NLPGBQUBBQDLPR-UHFFFAOYSA-N 0 1 297.446 3.880 20 0 CHADMN C[C@H]([N@@H+](C)Cc1nc2cc(F)ccc2o1)C1(C)CC1 ZINC000152195004 1119012015 /nfs/dbraw/zinc/01/20/15/1119012015.db2.gz BKQZJQHPRPEVFC-JTQLQIEISA-N 0 1 262.328 3.587 20 0 CHADMN COc1ccc(-c2cc(CN3CCC=C(C)C3)on2)cc1 ZINC000684773776 1119023247 /nfs/dbraw/zinc/02/32/47/1119023247.db2.gz HXRDHAGFKURLBM-UHFFFAOYSA-N 0 1 284.359 3.502 20 0 CHADMN Cc1ccc2nc(N)n(-c3cc(F)c(F)cc3Cl)c2c1 ZINC001216368757 1119024423 /nfs/dbraw/zinc/02/44/23/1119024423.db2.gz AXYGXYWIXIRFKL-UHFFFAOYSA-N 0 1 293.704 3.848 20 0 CHADMN Cc1cc(F)ncc1CN(CCC(F)(F)F)CC1CC1 ZINC000892219388 1119031207 /nfs/dbraw/zinc/03/12/07/1119031207.db2.gz OTSXZDZSCGSSLL-UHFFFAOYSA-N 0 1 290.304 3.694 20 0 CHADMN CCCn1nccc1CNC(C)(C)c1cccc(Cl)c1 ZINC000657367471 1119035039 /nfs/dbraw/zinc/03/50/39/1119035039.db2.gz IFCYLXMBMQYSES-UHFFFAOYSA-N 0 1 291.826 3.971 20 0 CHADMN Cc1cc([C@@H](C)NCc2c(C3CC3)cnn2C)ccc1F ZINC000657390787 1119050347 /nfs/dbraw/zinc/05/03/47/1119050347.db2.gz GXPLYTLDZZBCLD-GFCCVEGCSA-N 0 1 287.382 3.596 20 0 CHADMN C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)C1 ZINC000135048967 1119064799 /nfs/dbraw/zinc/06/47/99/1119064799.db2.gz RLRMFKJTZADDRM-KFWWJZLASA-N 0 1 281.440 3.636 20 0 CHADMN Cc1cccc2[nH]c(CN[C@H](C)c3n[nH]c(C(C)C)n3)cc21 ZINC000657420491 1119072841 /nfs/dbraw/zinc/07/28/41/1119072841.db2.gz QQCSYNSQOJKIMS-GFCCVEGCSA-N 0 1 297.406 3.569 20 0 CHADMN Cc1cc(S(=O)(=O)Nc2cccc(F)c2C)c(C)s1 ZINC000342543749 1119075846 /nfs/dbraw/zinc/07/58/46/1119075846.db2.gz DYKXCEMXDIMHTN-UHFFFAOYSA-N 0 1 299.392 3.613 20 0 CHADMN COC[C@@H]1CCCN(Cc2csc(C(F)(F)F)c2)C1 ZINC000628171491 1128820575 /nfs/dbraw/zinc/82/05/75/1128820575.db2.gz DESAXDOTTRZCGQ-SNVBAGLBSA-N 0 1 293.354 3.625 20 0 CHADMN CCCCN(CC(=O)c1c[nH]c2ccccc12)C1CC1 ZINC000048995336 1119085202 /nfs/dbraw/zinc/08/52/02/1119085202.db2.gz JRHFPHDNAGKFBA-UHFFFAOYSA-N 0 1 270.376 3.615 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccc(Cl)cc3)C2)[nH]c1C ZINC000628173014 1128820733 /nfs/dbraw/zinc/82/07/33/1128820733.db2.gz FDPVWDXZOIPLEQ-AWEZNQCLSA-N 0 1 289.810 3.669 20 0 CHADMN Clc1ccc([C@H]2CN(C3CCCC3)CCO2)cc1 ZINC000120131292 1119092016 /nfs/dbraw/zinc/09/20/16/1119092016.db2.gz JVMRUDIHFIVUFH-OAHLLOKOSA-N 0 1 265.784 3.656 20 0 CHADMN Cc1ccc2c(CN(C)[C@@H](C)c3ccco3)cc(=O)oc2c1 ZINC000069070105 1128821439 /nfs/dbraw/zinc/82/14/39/1128821439.db2.gz KGDKKUVSJFXBHJ-ZDUSSCGKSA-N 0 1 297.354 3.887 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCN1Cc1csc(C(F)(F)F)c1 ZINC000628178334 1128821503 /nfs/dbraw/zinc/82/15/03/1128821503.db2.gz MIIGYBZYOLEGHT-KOLCDFICSA-N 0 1 293.354 3.502 20 0 CHADMN CCn1nccc1CN[C@@H](C)c1ccccc1OC(C)C ZINC000125208210 1119101994 /nfs/dbraw/zinc/10/19/94/1119101994.db2.gz KQMGRXCZALYPRM-AWEZNQCLSA-N 0 1 287.407 3.541 20 0 CHADMN CC[C@@H]1C[C@H](N[C@H](c2ccc(C)cc2)c2ccccn2)CO1 ZINC000657452788 1119106971 /nfs/dbraw/zinc/10/69/71/1119106971.db2.gz JSMBERHRFQGQPZ-YQVWRLOYSA-N 0 1 296.414 3.637 20 0 CHADMN CC[C@@H]1C[C@@H](NCc2ccc(-c3ccco3)cc2F)CO1 ZINC000657456525 1119109319 /nfs/dbraw/zinc/10/93/19/1119109319.db2.gz ZWCPOOXTUPSAHD-HUUCEWRRSA-N 0 1 289.350 3.743 20 0 CHADMN CC(C)(C)c1nnc(Nc2ccnc(C(C)(C)C)c2)o1 ZINC001213160879 1119121431 /nfs/dbraw/zinc/12/14/31/1119121431.db2.gz PRPWSEGJRZVUBA-UHFFFAOYSA-N 0 1 274.368 3.803 20 0 CHADMN CC(C)c1nc(CNCc2cccc(C3CCCC3)c2)n[nH]1 ZINC000657479546 1119122419 /nfs/dbraw/zinc/12/24/19/1119122419.db2.gz SYQHCSBCTVMVJD-UHFFFAOYSA-N 0 1 298.434 3.876 20 0 CHADMN Cn1cc(C[N@@H+](C)Cc2cccs2)c(-c2ccccc2)n1 ZINC000342679427 1119122912 /nfs/dbraw/zinc/12/29/12/1119122912.db2.gz IPUOYATVLKKVPJ-UHFFFAOYSA-N 0 1 297.427 3.781 20 0 CHADMN CN(Cc1cccs1)Cc1cn(C)nc1-c1ccccc1 ZINC000342679427 1119122915 /nfs/dbraw/zinc/12/29/15/1119122915.db2.gz IPUOYATVLKKVPJ-UHFFFAOYSA-N 0 1 297.427 3.781 20 0 CHADMN Cc1ccc2cc(CNCc3ccc(C)c(C)n3)[nH]c2c1 ZINC000657487738 1119127629 /nfs/dbraw/zinc/12/76/29/1119127629.db2.gz GNFGPAGLRFFPPF-UHFFFAOYSA-N 0 1 279.387 3.778 20 0 CHADMN CC[C@H]1CCCCN1CC(=O)Nc1cccc(Cl)c1 ZINC000023991257 1119133632 /nfs/dbraw/zinc/13/36/32/1119133632.db2.gz JWDLACSYZNADJG-AWEZNQCLSA-N 0 1 280.799 3.543 20 0 CHADMN c1c2ccccc2oc1CN[C@H]1CCCc2cccnc21 ZINC000684953902 1119140439 /nfs/dbraw/zinc/14/04/39/1119140439.db2.gz VVAZANQSGPHBQB-INIZCTEOSA-N 0 1 278.355 3.995 20 0 CHADMN CCc1ccccc1C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000431467723 1119141947 /nfs/dbraw/zinc/14/19/47/1119141947.db2.gz ANVSZVFNMOPALQ-UHFFFAOYSA-N 0 1 279.343 3.686 20 0 CHADMN CCOc1cc(C)ccc1CN[C@@H]1CCCc2cccnc21 ZINC000684958003 1119142124 /nfs/dbraw/zinc/14/21/24/1119142124.db2.gz SCDBBOKQLVILCZ-QGZVFWFLSA-N 0 1 296.414 3.956 20 0 CHADMN COc1ccccc1[C@H](C)SCc1n[nH]c(C2CC2)n1 ZINC000342725961 1119143547 /nfs/dbraw/zinc/14/35/47/1119143547.db2.gz LRVPJTCLWDJKOQ-JTQLQIEISA-N 0 1 289.404 3.685 20 0 CHADMN COc1ccccc1[C@@H](C)SCc1n[nH]c(C2CC2)n1 ZINC000342725964 1119143720 /nfs/dbraw/zinc/14/37/20/1119143720.db2.gz LRVPJTCLWDJKOQ-SNVBAGLBSA-N 0 1 289.404 3.685 20 0 CHADMN Fc1ccc(C2(N[C@H]3CCCc4cccnc43)CC2)cc1 ZINC000684960613 1119144481 /nfs/dbraw/zinc/14/44/81/1119144481.db2.gz JQEZHHPZZWMJMQ-INIZCTEOSA-N 0 1 282.362 3.877 20 0 CHADMN CCc1cnc(CN[C@@H]2C[C@H](OCC(C)C)C2(C)C)s1 ZINC000224697403 1119144899 /nfs/dbraw/zinc/14/48/99/1119144899.db2.gz SNRZRYYPCIRGHO-KGLIPLIRSA-N 0 1 296.480 3.635 20 0 CHADMN O=C(CCCN1CCc2sccc2C1)c1ccccc1 ZINC000050132351 1119145905 /nfs/dbraw/zinc/14/59/05/1119145905.db2.gz WAWKFNUTVACYPY-UHFFFAOYSA-N 0 1 285.412 3.769 20 0 CHADMN CCOc1cccnc1Nc1ccnc(C(C)(C)C)c1 ZINC001213162981 1119147006 /nfs/dbraw/zinc/14/70/06/1119147006.db2.gz QKACCSVKBZJCHZ-UHFFFAOYSA-N 0 1 271.364 3.916 20 0 CHADMN C[C@@H](NCC(C)(C)C)c1nc(-c2cccc(F)c2)no1 ZINC000184650288 1119147757 /nfs/dbraw/zinc/14/77/57/1119147757.db2.gz LIIWPAYQHNOVIS-SNVBAGLBSA-N 0 1 277.343 3.572 20 0 CHADMN Cc1c[nH]c(CN2CC[C@](C)(CCc3ccccc3)C2)n1 ZINC000628186204 1128824864 /nfs/dbraw/zinc/82/48/64/1128824864.db2.gz BQMJLJMZZBHSJR-SFHVURJKSA-N 0 1 283.419 3.563 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000934584048 1119151217 /nfs/dbraw/zinc/15/12/17/1119151217.db2.gz VOSKJFYCZWLWJM-RKDXNWHRSA-N 0 1 293.317 3.514 20 0 CHADMN C[N@@H+](Cc1nc(C2CC2)cs1)C1Cc2ccccc2C1 ZINC000342756377 1119155283 /nfs/dbraw/zinc/15/52/83/1119155283.db2.gz RWDRHOBQUGWHHQ-UHFFFAOYSA-N 0 1 284.428 3.620 20 0 CHADMN CN(Cc1nc(C2CC2)cs1)C1Cc2ccccc2C1 ZINC000342756377 1119155284 /nfs/dbraw/zinc/15/52/84/1119155284.db2.gz RWDRHOBQUGWHHQ-UHFFFAOYSA-N 0 1 284.428 3.620 20 0 CHADMN CC[C@@H](NC(=O)[C@H](C)N1CCCCCC1)c1cccs1 ZINC000074510235 1119166562 /nfs/dbraw/zinc/16/65/62/1119166562.db2.gz UXVFCGOKQVEJSF-UONOGXRCSA-N 0 1 294.464 3.580 20 0 CHADMN Cc1nc2ccc(NC(=O)C[C@H](C)C(C)(C)C)cc2[nH]1 ZINC000342785865 1119166572 /nfs/dbraw/zinc/16/65/72/1119166572.db2.gz UCSRCANINBKTTE-JTQLQIEISA-N 0 1 273.380 3.882 20 0 CHADMN CCO[C@H](C)c1nc(CN2C[C@H](C)C[C@@H]2CC)cs1 ZINC000075022720 1119170402 /nfs/dbraw/zinc/17/04/02/1119170402.db2.gz RRWYVGWIYRULQK-BZPMIXESSA-N 0 1 282.453 3.861 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cnc(C(C)(C)C)nc1 ZINC000342799584 1119175233 /nfs/dbraw/zinc/17/52/33/1119175233.db2.gz KYZKQOKKFOWUKK-ZDUSSCGKSA-N 0 1 298.434 3.582 20 0 CHADMN CCc1cnc(C[N@H+](C)[C@H](CC)Cc2ccc(C)cc2)o1 ZINC000075886041 1119179925 /nfs/dbraw/zinc/17/99/25/1119179925.db2.gz LRNPXEVYUZHSBG-MRXNPFEDSA-N 0 1 286.419 3.999 20 0 CHADMN CCc1cnc(CN(C)[C@H](CC)Cc2ccc(C)cc2)o1 ZINC000075886041 1119179927 /nfs/dbraw/zinc/17/99/27/1119179927.db2.gz LRNPXEVYUZHSBG-MRXNPFEDSA-N 0 1 286.419 3.999 20 0 CHADMN CCc1nocc1CN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000660173769 1128827246 /nfs/dbraw/zinc/82/72/46/1128827246.db2.gz HRSAKSCPHLMQBU-ZDUSSCGKSA-N 0 1 284.403 3.967 20 0 CHADMN Cc1ccc(-c2nnc(CN3C[C@H](C)CC[C@@H]3C)o2)cc1 ZINC000076150338 1119183486 /nfs/dbraw/zinc/18/34/86/1119183486.db2.gz XFGIZYHNCSVYNR-KGLIPLIRSA-N 0 1 285.391 3.665 20 0 CHADMN CC[C@H](COCC1CC1)NCc1ncc(C(C)C)s1 ZINC000657561343 1119185463 /nfs/dbraw/zinc/18/54/63/1119185463.db2.gz IFKPCSCAYUEPOF-CYBMUJFWSA-N 0 1 282.453 3.561 20 0 CHADMN Cc1nc2cc(Nc3cnc4c(ccn4C)c3)ccc2[nH]1 ZINC001213070284 1128827599 /nfs/dbraw/zinc/82/75/99/1128827599.db2.gz IRCILUKSGRMFMR-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1cc(CN2CCCCC[C@H]2c2ccco2)on1 ZINC000076804735 1119187663 /nfs/dbraw/zinc/18/76/63/1119187663.db2.gz PEZKPSJAGCYPPO-AWEZNQCLSA-N 0 1 260.337 3.693 20 0 CHADMN COc1ccc([C@@H](C)[N@@H+](C)CCC(F)(F)F)cc1 ZINC000077250183 1119190995 /nfs/dbraw/zinc/19/09/95/1119190995.db2.gz LYJJACVERZMPEV-SNVBAGLBSA-N 0 1 261.287 3.640 20 0 CHADMN COc1ccc([C@@H](C)N(C)CCC(F)(F)F)cc1 ZINC000077250183 1119190996 /nfs/dbraw/zinc/19/09/96/1119190996.db2.gz LYJJACVERZMPEV-SNVBAGLBSA-N 0 1 261.287 3.640 20 0 CHADMN Fc1cc(Cl)cc(CN2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000342818367 1119192193 /nfs/dbraw/zinc/19/21/93/1119192193.db2.gz OFWCQSBJBUZUMT-CABCVRRESA-N 0 1 283.774 3.623 20 0 CHADMN Cc1ccc(NC(=O)CNC2(c3ccccc3)CC2)c(C)c1 ZINC000077378300 1119192293 /nfs/dbraw/zinc/19/22/93/1119192293.db2.gz PUUPOVPHCBJBNS-UHFFFAOYSA-N 0 1 294.398 3.521 20 0 CHADMN Fc1cc(Cl)cc(CN2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000342818370 1119192548 /nfs/dbraw/zinc/19/25/48/1119192548.db2.gz OFWCQSBJBUZUMT-LSDHHAIUSA-N 0 1 283.774 3.623 20 0 CHADMN CC(=CC(=O)Nc1c(C)n[nH]c1C(F)F)C(C)(C)C ZINC000779283728 1128828042 /nfs/dbraw/zinc/82/80/42/1128828042.db2.gz CVZREDWPZMKHJR-SREVYHEPSA-N 0 1 271.311 3.587 20 0 CHADMN Fc1cc(Cl)cc(CN2CCC3(CCOCC3)CC2)c1 ZINC000342822132 1119195420 /nfs/dbraw/zinc/19/54/20/1119195420.db2.gz QITDJABMESCXEC-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN C[C@](O)(CNCc1c(F)cccc1Cl)c1ccsc1 ZINC000077460318 1119195521 /nfs/dbraw/zinc/19/55/21/1119195521.db2.gz PWOXBCXDBWBIFJ-AWEZNQCLSA-N 0 1 299.798 3.538 20 0 CHADMN COc1cccc(OC)c1CNCc1ccccc1C1CC1 ZINC000657585609 1119198930 /nfs/dbraw/zinc/19/89/30/1119198930.db2.gz MAONWEFGGHBCGL-UHFFFAOYSA-N 0 1 297.398 3.871 20 0 CHADMN COC[C@@H](NCc1ccsc1C)c1cccc(OC)c1 ZINC000657611565 1119206619 /nfs/dbraw/zinc/20/66/19/1119206619.db2.gz FAVCOKSMWSXQTM-MRXNPFEDSA-N 0 1 291.416 3.542 20 0 CHADMN COC[C@@H](NCc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC000657610398 1119207756 /nfs/dbraw/zinc/20/77/56/1119207756.db2.gz AYUILUINZPVZPJ-LJQANCHMSA-N 0 1 299.414 3.789 20 0 CHADMN Cc1ncc(CNCc2cc(C)cc3c(C)c(C)[nH]c32)o1 ZINC000628213884 1128829023 /nfs/dbraw/zinc/82/90/23/1128829023.db2.gz BXDZPXPITHPCCD-UHFFFAOYSA-N 0 1 283.375 3.679 20 0 CHADMN Cc1ncc(CN[C@H](c2ccccc2)C2CCC2)o1 ZINC000628213269 1128829256 /nfs/dbraw/zinc/82/92/56/1128829256.db2.gz DXTNTCPZRGFHGL-MRXNPFEDSA-N 0 1 256.349 3.614 20 0 CHADMN Cc1oc2ccccc2c1CNc1ncnc2ccsc21 ZINC000342868847 1119219216 /nfs/dbraw/zinc/21/92/16/1119219216.db2.gz KDMHRTOYZOEXBN-UHFFFAOYSA-N 0 1 295.367 3.780 20 0 CHADMN C[C@@]1(NCc2cnc(C3CC3)o2)CCCc2ccccc21 ZINC000628215826 1128829941 /nfs/dbraw/zinc/82/99/41/1128829941.db2.gz VAHUJVJLSDYYQV-GOSISDBHSA-N 0 1 282.387 3.893 20 0 CHADMN Cc1ccc2oc(CNCc3c(C4CC4)cnn3C)cc2c1 ZINC000657652818 1119224262 /nfs/dbraw/zinc/22/42/62/1119224262.db2.gz QYGFRGOOQFEPGD-UHFFFAOYSA-N 0 1 295.386 3.642 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc(N(C)C)c2)o1 ZINC000119937532 1119225570 /nfs/dbraw/zinc/22/55/70/1119225570.db2.gz AOQQQVXQXYANQQ-ZDUSSCGKSA-N 0 1 258.365 3.505 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)c1Cl ZINC000657656572 1119226839 /nfs/dbraw/zinc/22/68/39/1119226839.db2.gz KLHLLBSDGXHCGZ-GMXVVIOVSA-N 0 1 265.784 3.571 20 0 CHADMN CC1(C)CCC[C@H]1CCNC(=O)c1cc(F)cc(F)c1O ZINC001167623801 1119228076 /nfs/dbraw/zinc/22/80/76/1119228076.db2.gz YKOGDQIVTSGTLQ-JTQLQIEISA-N 0 1 297.345 3.617 20 0 CHADMN OC1CCN(Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000305721553 1119231803 /nfs/dbraw/zinc/23/18/03/1119231803.db2.gz BXSOKKQDKHSHFB-UHFFFAOYSA-N 0 1 291.391 3.511 20 0 CHADMN C[C@]1(CNCc2csc(-c3ccccc3)n2)CC1(F)F ZINC000657670363 1119236903 /nfs/dbraw/zinc/23/69/03/1119236903.db2.gz UMDJXXBZRMWGAN-CQSZACIVSA-N 0 1 294.370 3.945 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@@H](C)c2cncs2)c1 ZINC000120575567 1119243572 /nfs/dbraw/zinc/24/35/72/1119243572.db2.gz GQOOAMRAXVKNQV-NEPJUHHUSA-N 0 1 276.405 3.954 20 0 CHADMN CC[C@](C)([NH2+]Cc1cccc([O-])c1Cl)C1CC1 ZINC000657686467 1119245123 /nfs/dbraw/zinc/24/51/23/1119245123.db2.gz CMDUTWJISGEAAA-AWEZNQCLSA-N 0 1 253.773 3.714 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1ncc(COC)s1 ZINC000342918813 1119246961 /nfs/dbraw/zinc/24/69/61/1119246961.db2.gz QMZWKGVAFZVPCS-OCCSQVGLSA-N 0 1 282.453 3.690 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1Cc1ncc(COC)s1 ZINC000342925083 1119249981 /nfs/dbraw/zinc/24/99/81/1119249981.db2.gz HUYVDZFWNFNEOU-TZMCWYRMSA-N 0 1 282.453 3.690 20 0 CHADMN CCc1ccc(CN2CCC(Nc3ccccc3)CC2)o1 ZINC000092164259 1119254869 /nfs/dbraw/zinc/25/48/69/1119254869.db2.gz IQCWXNCPEPDIIM-UHFFFAOYSA-N 0 1 284.403 3.919 20 0 CHADMN C[C@H](CCc1ccccc1)CN(C)Cc1nccs1 ZINC000342941732 1119257772 /nfs/dbraw/zinc/25/77/72/1119257772.db2.gz KRHLFKRGBWUXFE-CQSZACIVSA-N 0 1 274.433 3.844 20 0 CHADMN CCCOc1c(CN2CC(C3CC3)C2)cccc1OCC ZINC000643345830 1119264717 /nfs/dbraw/zinc/26/47/17/1119264717.db2.gz PMIYXQFENBQXCD-UHFFFAOYSA-N 0 1 289.419 3.716 20 0 CHADMN Cc1noc(C)c1CNc1cc(C)nc2ccc(F)cc21 ZINC000122182878 1119276014 /nfs/dbraw/zinc/27/60/14/1119276014.db2.gz FBYURBIKKIOKSU-UHFFFAOYSA-N 0 1 285.322 3.899 20 0 CHADMN CCN(Cc1nc(C)c(C)[nH]1)[C@H](C)Cc1ccsc1 ZINC000628241762 1128834034 /nfs/dbraw/zinc/83/40/34/1128834034.db2.gz GNDSHEBOTNICEB-LLVKDONJSA-N 0 1 277.437 3.541 20 0 CHADMN COc1cccc([C@H]2C[C@@H](C)CN2Cc2cnc(C)o2)c1 ZINC000628237095 1128834238 /nfs/dbraw/zinc/83/42/38/1128834238.db2.gz ASLDDZFNIJMZGT-SJKOYZFVSA-N 0 1 286.375 3.575 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2N[C@@H]1CCCc2cccnc21 ZINC000091660461 1119277742 /nfs/dbraw/zinc/27/77/42/1119277742.db2.gz HJZODECLIDONLY-LSDHHAIUSA-N 0 1 268.360 3.719 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(Cl)cc2)cn1 ZINC000153698933 1119279140 /nfs/dbraw/zinc/27/91/40/1119279140.db2.gz ULBBWQQGEPMUJM-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN C[C@]12CCCC[C@H]1C[N@H+]2Cc1nc(-c2ccccc2)no1 ZINC000626106139 1119293699 /nfs/dbraw/zinc/29/36/99/1119293699.db2.gz DTLCLMGVEXIKJX-YOEHRIQHSA-N 0 1 283.375 3.501 20 0 CHADMN C[C@]12CCCC[C@H]1CN2Cc1nc(-c2ccccc2)no1 ZINC000626106139 1119293702 /nfs/dbraw/zinc/29/37/02/1119293702.db2.gz DTLCLMGVEXIKJX-YOEHRIQHSA-N 0 1 283.375 3.501 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](C)c1cccc2ccccc21 ZINC000670859337 1128835709 /nfs/dbraw/zinc/83/57/09/1128835709.db2.gz VWEGEJPZPXITID-ZDUSSCGKSA-N 0 1 265.360 3.722 20 0 CHADMN CC[C@H](Cc1cccs1)N[C@@H]1CCCC1(F)F ZINC000672622635 1119301551 /nfs/dbraw/zinc/30/15/51/1119301551.db2.gz ONBMMDHFGZWJHI-ZYHUDNBSSA-N 0 1 259.365 3.847 20 0 CHADMN COCc1nc(CN[C@@H](C)CCCC(C)C)cs1 ZINC000343082270 1119303652 /nfs/dbraw/zinc/30/36/52/1119303652.db2.gz KZWDSHNMMHMEMJ-LBPRGKRZSA-N 0 1 270.442 3.594 20 0 CHADMN COCc1ccc(CN[C@H](c2cccs2)C2CC2)o1 ZINC000343087939 1119306331 /nfs/dbraw/zinc/30/63/31/1119306331.db2.gz XNWSXUDYOGQFMX-HNNXBMFYSA-N 0 1 277.389 3.728 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cccnc2N(C)C)s1 ZINC000154810347 1119319353 /nfs/dbraw/zinc/31/93/53/1119319353.db2.gz JSJIISSOWOMIII-GFCCVEGCSA-N 0 1 289.448 3.622 20 0 CHADMN Cc1nn(C)c(C)c1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000154932742 1119323149 /nfs/dbraw/zinc/32/31/49/1119323149.db2.gz FZXBDVLLGXSKMB-QGZVFWFLSA-N 0 1 287.382 3.513 20 0 CHADMN Cc1cnc([C@@H](C)NCc2sccc2C)s1 ZINC000125176003 1119328049 /nfs/dbraw/zinc/32/80/49/1119328049.db2.gz NYDYUBJILSUQAT-SNVBAGLBSA-N 0 1 252.408 3.672 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@@H](C)c1cccs1 ZINC000092327926 1119328166 /nfs/dbraw/zinc/32/81/66/1119328166.db2.gz HMNCIZGVFNVIMJ-IUCAKERBSA-N 0 1 250.367 3.765 20 0 CHADMN CN(Cc1nc(C2CCC2)no1)C1CCC(C)(C)CC1 ZINC001167664672 1119333581 /nfs/dbraw/zinc/33/35/81/1119333581.db2.gz UDCNITGFORSXFZ-UHFFFAOYSA-N 0 1 277.412 3.738 20 0 CHADMN Cc1ccc2nc([C@H]3CCC[N@H+](C/C=C/Cl)C3)[nH]c2c1 ZINC000181161252 1128840287 /nfs/dbraw/zinc/84/02/87/1128840287.db2.gz QQOLKRIMQUMYEF-MXPWBENCSA-N 0 1 289.810 3.803 20 0 CHADMN Cc1ccc2nc([C@H]3CCC[N@@H+](C/C=C/Cl)C3)[nH]c2c1 ZINC000181161252 1128840289 /nfs/dbraw/zinc/84/02/89/1128840289.db2.gz QQOLKRIMQUMYEF-MXPWBENCSA-N 0 1 289.810 3.803 20 0 CHADMN CC(C)(C)c1cnc(CN[C@]2(C)CC2(C)C)s1 ZINC000657761399 1119359118 /nfs/dbraw/zinc/35/91/18/1119359118.db2.gz KAYKMKXADVKXMA-CQSZACIVSA-N 0 1 252.427 3.719 20 0 CHADMN Cc1ncc(CNC[C@H](C)Oc2ccc(C(C)C)cc2)o1 ZINC000628276486 1128841758 /nfs/dbraw/zinc/84/17/58/1128841758.db2.gz FJHWLAYKCLBMCP-ZDUSSCGKSA-N 0 1 288.391 3.664 20 0 CHADMN Cc1ccc([C@@H](N[C@@H](C)CC(C)(C)O)c2ccccn2)cc1 ZINC000926513456 1119382876 /nfs/dbraw/zinc/38/28/76/1119382876.db2.gz VQAPYFPYHCVNBU-MAUKXSAKSA-N 0 1 298.430 3.619 20 0 CHADMN Clc1cc2c(s1)CCN(CCC1CCOCC1)C2 ZINC000583628766 1119387677 /nfs/dbraw/zinc/38/76/77/1119387677.db2.gz VUEKYEHZKBYIIV-UHFFFAOYSA-N 0 1 285.840 3.576 20 0 CHADMN Cc1csc(CN[C@H](C)c2c(C)noc2C)c1 ZINC000926518103 1119390546 /nfs/dbraw/zinc/39/05/46/1119390546.db2.gz HNOVAIKIEWCBEJ-SECBINFHSA-N 0 1 250.367 3.512 20 0 CHADMN COc1cccc(C2(NCc3ccc(C)cn3)CCC2)c1 ZINC000657779472 1119391138 /nfs/dbraw/zinc/39/11/38/1119391138.db2.gz RNUZDSWXJZCHBO-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN CC(C)OC1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000583669448 1119392205 /nfs/dbraw/zinc/39/22/05/1119392205.db2.gz OCAQGLAPKJWKCH-UHFFFAOYSA-N 0 1 290.382 3.696 20 0 CHADMN CC[C@H]1CCN1Cc1cccc(F)c1OCC(F)(F)F ZINC000628293023 1128843533 /nfs/dbraw/zinc/84/35/33/1128843533.db2.gz IMUJHKUNLDOCQR-NSHDSACASA-N 0 1 291.288 3.751 20 0 CHADMN Cc1ccc(OC(F)F)c(CN2CC[C@@H](OC(C)C)C2)c1 ZINC000583750478 1119406101 /nfs/dbraw/zinc/40/61/01/1119406101.db2.gz SLOJFTWQLSOYQH-CQSZACIVSA-N 0 1 299.361 3.596 20 0 CHADMN CC(C)(C)C(F)(F)CN[C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000657793192 1119412782 /nfs/dbraw/zinc/41/27/82/1119412782.db2.gz HUGSARKIDZEUJR-HZSPNIEDSA-N 0 1 289.410 3.853 20 0 CHADMN C/C(=C\c1ccc(Cl)cc1)CN[C@H](C)c1nccn1C ZINC000657794767 1119415004 /nfs/dbraw/zinc/41/50/04/1119415004.db2.gz WDARGKSDKBMSEY-RSKUSDAESA-N 0 1 289.810 3.828 20 0 CHADMN Cc1cccc2c1CCC[C@H]2NCc1nccn1C(C)C ZINC000657796086 1119416659 /nfs/dbraw/zinc/41/66/59/1119416659.db2.gz BVULIUMOFGKMLU-QGZVFWFLSA-N 0 1 283.419 3.940 20 0 CHADMN Fc1c(Cl)cccc1CN1CC[C@@H](c2cccnc2)C1 ZINC000583810480 1119416816 /nfs/dbraw/zinc/41/68/16/1119416816.db2.gz QCHOUAVLJSCSEA-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000583817988 1119417944 /nfs/dbraw/zinc/41/79/44/1119417944.db2.gz JRORFNIFTZXJAT-WBMJQRKESA-N 0 1 293.382 3.925 20 0 CHADMN CCC[C@]1(COC)CCCN1Cc1cc(C(C)(C)C)on1 ZINC000583841511 1119422471 /nfs/dbraw/zinc/42/24/71/1119422471.db2.gz XWACUNODNGFZCD-QGZVFWFLSA-N 0 1 294.439 3.753 20 0 CHADMN COc1cc(C)nc(CN[C@@H]2CCCc3c(C)cccc32)c1 ZINC000657799636 1119422546 /nfs/dbraw/zinc/42/25/46/1119422546.db2.gz WVTHXVWQDJOSDX-LJQANCHMSA-N 0 1 296.414 3.874 20 0 CHADMN CCc1ccc2nc(-c3cccc(O)c3OC)[nH]c2c1 ZINC000536143279 1119424106 /nfs/dbraw/zinc/42/41/06/1119424106.db2.gz ZJICWUHVHRRYGK-UHFFFAOYSA-N 0 1 268.316 3.507 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2nc(C3CC3)cs2)C1 ZINC000343534231 1119446150 /nfs/dbraw/zinc/44/61/50/1119446150.db2.gz IJADXHVIFIYRHI-QWRGUYRKSA-N 0 1 250.411 3.641 20 0 CHADMN CC[C@@]1(C)CCN(Cc2nc(C3CC3)cs2)C1 ZINC000343540269 1119448108 /nfs/dbraw/zinc/44/81/08/1119448108.db2.gz QZVJSAUBEXSFPE-AWEZNQCLSA-N 0 1 250.411 3.643 20 0 CHADMN C[C@@H]1CCCN(Cc2nc(C3CC3)cs2)[C@@H]1C ZINC000343541900 1119448639 /nfs/dbraw/zinc/44/86/39/1119448639.db2.gz VDRKPGHDRWXYSI-GHMZBOCLSA-N 0 1 250.411 3.641 20 0 CHADMN C[C@@H](O)[C@H](NCc1sccc1Cl)c1ccccc1 ZINC000657816680 1119453067 /nfs/dbraw/zinc/45/30/67/1119453067.db2.gz KKQXSDIJQQQODL-YGRLFVJLSA-N 0 1 281.808 3.613 20 0 CHADMN C[C@H](CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1)CC(F)F ZINC000647319135 1119456624 /nfs/dbraw/zinc/45/66/24/1119456624.db2.gz NCAWTAZPODHBCP-IINYFYTJSA-N 0 1 297.324 3.519 20 0 CHADMN C[C@@H](CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1)CC(F)F ZINC000647319136 1119457033 /nfs/dbraw/zinc/45/70/33/1119457033.db2.gz NCAWTAZPODHBCP-QMTHXVAHSA-N 0 1 297.324 3.519 20 0 CHADMN CCN(C[C@@H]1CCCO1)[C@@H](C)c1cc(F)ccc1F ZINC000343591495 1119465071 /nfs/dbraw/zinc/46/50/71/1119465071.db2.gz CIDROUVBAGJVQP-AAEUAGOBSA-N 0 1 269.335 3.527 20 0 CHADMN CCN(C[C@H]1CCCO1)[C@H](C)c1cc(F)ccc1F ZINC000343591500 1119465490 /nfs/dbraw/zinc/46/54/90/1119465490.db2.gz CIDROUVBAGJVQP-DGCLKSJQSA-N 0 1 269.335 3.527 20 0 CHADMN Cc1nn(C(C)C)cc1CN(C)Cc1cccc2[nH]ccc21 ZINC000343612204 1119470169 /nfs/dbraw/zinc/47/01/69/1119470169.db2.gz GAIRHMDQTVXSAD-UHFFFAOYSA-N 0 1 296.418 3.886 20 0 CHADMN C[C@H](N[C@H]1CCCn2nccc21)c1cc2ccccc2o1 ZINC000657824047 1119470584 /nfs/dbraw/zinc/47/05/84/1119470584.db2.gz CIPXPZPOPYCQLV-JSGCOSHPSA-N 0 1 281.359 3.815 20 0 CHADMN CCc1ccccc1-c1noc(-c2ccc3cncn3c2)n1 ZINC000584078767 1119472079 /nfs/dbraw/zinc/47/20/79/1119472079.db2.gz XFRUHRPMLLIWDQ-UHFFFAOYSA-N 0 1 290.326 3.614 20 0 CHADMN CCc1ccc(C)nc1N[C@@H](C)C1CC(F)(F)C1 ZINC000628337751 1128848507 /nfs/dbraw/zinc/84/85/07/1128848507.db2.gz QANURUNZYUCMQN-JTQLQIEISA-N 0 1 254.324 3.798 20 0 CHADMN CC[C@H](N[C@H]1CCCc2c1cnn2C)c1ccccc1F ZINC000168755469 1119474985 /nfs/dbraw/zinc/47/49/85/1119474985.db2.gz HGULJDIZTXFVMO-HOTGVXAUSA-N 0 1 287.382 3.678 20 0 CHADMN COc1ccc(CNCc2ccoc2C)cc1Cl ZINC000343631401 1119475314 /nfs/dbraw/zinc/47/53/14/1119475314.db2.gz BHWVUZPYXUQNFD-UHFFFAOYSA-N 0 1 265.740 3.540 20 0 CHADMN CC(C)C[C@@H](C[N@H+]1[C@@H](C)CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000650796550 1119477210 /nfs/dbraw/zinc/47/72/10/1119477210.db2.gz XCLOQORVLHPMPT-XIRDDKMYSA-N 0 1 289.419 3.754 20 0 CHADMN CCC[N@@H+](CC)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000343648119 1119478877 /nfs/dbraw/zinc/47/88/77/1119478877.db2.gz NDPVNKAHIAEOII-ZDUSSCGKSA-N 0 1 273.380 3.838 20 0 CHADMN CCCN(C)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000159023213 1119480919 /nfs/dbraw/zinc/48/09/19/1119480919.db2.gz IKSGWRACHJADQT-UHFFFAOYSA-N 0 1 282.359 3.930 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N[C@H](C)C(C)(C)CC)o1 ZINC000617571338 1128849368 /nfs/dbraw/zinc/84/93/68/1128849368.db2.gz LBEAQQUBNJCMMV-CYBMUJFWSA-N 0 1 294.439 3.676 20 0 CHADMN CC[C@@H]1C[N@@H+](Cc2ccc3nc(C)sc3c2)CCCO1 ZINC000343693964 1119488455 /nfs/dbraw/zinc/48/84/55/1119488455.db2.gz IAHGOVJQDHDKRF-CQSZACIVSA-N 0 1 290.432 3.606 20 0 CHADMN c1csc(N2CCN(Cc3ccc4[nH]ccc4c3)CC2)c1 ZINC000628184317 1119496337 /nfs/dbraw/zinc/49/63/37/1119496337.db2.gz IXSXAIBAXOEPGW-UHFFFAOYSA-N 0 1 297.427 3.552 20 0 CHADMN C[C@H]1CCCC[C@@H]1C[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000692440847 1119501613 /nfs/dbraw/zinc/50/16/13/1119501613.db2.gz ONIMMBHSGSMMRX-DOTOQJQBSA-N 0 1 289.419 3.790 20 0 CHADMN Cc1ccc([C@@H](C)CN2CCO[C@@H](c3ccco3)C2)cc1 ZINC000628188417 1119502167 /nfs/dbraw/zinc/50/21/67/1119502167.db2.gz ZYURQMPWFDPDHD-MAUKXSAKSA-N 0 1 285.387 3.765 20 0 CHADMN CCCCOc1cccc(CN[C@H]2CCCn3nccc32)c1 ZINC000657840464 1119502992 /nfs/dbraw/zinc/50/29/92/1119502992.db2.gz QXHFDAKOPSEOTJ-KRWDZBQOSA-N 0 1 299.418 3.687 20 0 CHADMN CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1cnc(C2CC2)o1 ZINC000628191023 1119503014 /nfs/dbraw/zinc/50/30/14/1119503014.db2.gz XMYCRGPJLINECM-HUUCEWRRSA-N 0 1 292.423 3.578 20 0 CHADMN CC[C@@H]1CCCN(C(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC000343751155 1119503091 /nfs/dbraw/zinc/50/30/91/1119503091.db2.gz OSSOPSWBXNHYCP-CYBMUJFWSA-N 0 1 285.391 3.524 20 0 CHADMN CCOC(=O)CCCCN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000081605397 1119518765 /nfs/dbraw/zinc/51/87/65/1119518765.db2.gz QDWZNPXNLYPALI-OAHLLOKOSA-N 0 1 295.810 3.820 20 0 CHADMN c1nnc([C@H](Nc2ccc3c(c2)CCN3)C2CCCCC2)[nH]1 ZINC000584404746 1119526775 /nfs/dbraw/zinc/52/67/75/1119526775.db2.gz SFRUJMISEALOKG-MRXNPFEDSA-N 0 1 297.406 3.506 20 0 CHADMN Cc1cccc(C2(N[C@H](C)c3nccnc3C)CCC2)c1 ZINC000647333287 1119526850 /nfs/dbraw/zinc/52/68/50/1119526850.db2.gz PHACGGWNGSFCPG-OAHLLOKOSA-N 0 1 281.403 3.823 20 0 CHADMN COc1cncc(CN([C@H](C)c2ccccc2)C2CC2)c1 ZINC000343792911 1119538484 /nfs/dbraw/zinc/53/84/84/1119538484.db2.gz KINQZGCUBNNGPE-CQSZACIVSA-N 0 1 282.387 3.816 20 0 CHADMN C[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccc(F)cn1 ZINC000089552564 1119542014 /nfs/dbraw/zinc/54/20/14/1119542014.db2.gz DVNSQZGLBUCKTE-HWPZZCPQSA-N 0 1 274.314 3.698 20 0 CHADMN CCCCN(C(=O)c1cnc(C)[nH]1)[C@H](C)c1ccc(C)o1 ZINC000600975019 1119544614 /nfs/dbraw/zinc/54/46/14/1119544614.db2.gz QXNRLPAUAVETLJ-GFCCVEGCSA-N 0 1 289.379 3.623 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1cccs1)CO2 ZINC000090452755 1119544719 /nfs/dbraw/zinc/54/47/19/1119544719.db2.gz QBOCBRCZLRZBSR-DGCLKSJQSA-N 0 1 259.374 3.841 20 0 CHADMN FC(F)(F)c1ccccc1CN[C@@H]1CCCn2nccc21 ZINC000657862159 1119553299 /nfs/dbraw/zinc/55/32/99/1119553299.db2.gz OAILBXSTEWKIGE-CYBMUJFWSA-N 0 1 295.308 3.527 20 0 CHADMN CCc1cc(CN[C@@H](c2ccccc2)C(C)C)on1 ZINC000091346085 1119555716 /nfs/dbraw/zinc/55/57/16/1119555716.db2.gz QRTQCUKEOFLZJV-MRXNPFEDSA-N 0 1 258.365 3.724 20 0 CHADMN Cc1ccc([C@@H](NCc2ncccc2F)C2CC2)cc1 ZINC000091402764 1119556511 /nfs/dbraw/zinc/55/65/11/1119556511.db2.gz JBQQOBVHUQZPSK-QGZVFWFLSA-N 0 1 270.351 3.770 20 0 CHADMN CN(CCOc1ccc(F)cc1Cl)CCC(F)(F)F ZINC000091740101 1119558699 /nfs/dbraw/zinc/55/86/99/1119558699.db2.gz LSJZUZXKWWWTLX-UHFFFAOYSA-N 0 1 299.695 3.742 20 0 CHADMN Fc1cc(CN2CCC[C@@H](c3ncc[nH]3)C2)ccc1Cl ZINC000092073851 1119561155 /nfs/dbraw/zinc/56/11/55/1119561155.db2.gz QMWDNUYCHNAVLR-GFCCVEGCSA-N 0 1 293.773 3.582 20 0 CHADMN Cc1c(Nc2nc(C3CC3)ns2)cnn1-c1ccccc1 ZINC000092686799 1119564478 /nfs/dbraw/zinc/56/44/78/1119564478.db2.gz JKDSXLNRKOTSER-UHFFFAOYSA-N 0 1 297.387 3.653 20 0 CHADMN CCCOc1ccc(CN[C@H](C)c2ccc(F)cn2)cc1 ZINC000092739668 1119565199 /nfs/dbraw/zinc/56/51/99/1119565199.db2.gz DHZIRIGKVKNOQZ-CYBMUJFWSA-N 0 1 288.366 3.860 20 0 CHADMN Cc1nc(C[N@H+](C)C[C@@H]2CCC[C@H](C)C2)cs1 ZINC000092794994 1119567374 /nfs/dbraw/zinc/56/73/74/1119567374.db2.gz AZSMXNNBTHAOHI-WCQYABFASA-N 0 1 252.427 3.710 20 0 CHADMN Cc1nc(CN(C)C[C@@H]2CCC[C@H](C)C2)cs1 ZINC000092794994 1119567376 /nfs/dbraw/zinc/56/73/76/1119567376.db2.gz AZSMXNNBTHAOHI-WCQYABFASA-N 0 1 252.427 3.710 20 0 CHADMN COCc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)o1 ZINC000093116282 1119569694 /nfs/dbraw/zinc/56/96/94/1119569694.db2.gz CZYKXUQDJOEYAK-QGZVFWFLSA-N 0 1 289.350 3.732 20 0 CHADMN COCc1ccc(CN2CC[C@H](C)C[C@H]2c2ccco2)o1 ZINC000093811848 1119572956 /nfs/dbraw/zinc/57/29/56/1119572956.db2.gz LPPCLIWOMURQFU-BBRMVZONSA-N 0 1 289.375 3.992 20 0 CHADMN Cc1[nH+]c2c(Nc3ccc(C(=O)[O-])cc3C)cccn2c1C ZINC001211620835 1119575304 /nfs/dbraw/zinc/57/53/04/1119575304.db2.gz JJZKFYGQQFNESK-UHFFFAOYSA-N 0 1 295.342 3.701 20 0 CHADMN COc1cc(CN[C@H](C)c2oc3ccccc3c2C)ccn1 ZINC000171140923 1119582471 /nfs/dbraw/zinc/58/24/71/1119582471.db2.gz MOHCYHDZROHGTO-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1Nc1ccc2c[nH+]ccc2c1 ZINC001211623095 1119590333 /nfs/dbraw/zinc/59/03/33/1119590333.db2.gz XJBPHGNXUXXKCI-UHFFFAOYSA-N 0 1 278.311 3.985 20 0 CHADMN CCc1nnc(CNC[C@@H](C)CC2CCCCC2)s1 ZINC000563920041 1119592152 /nfs/dbraw/zinc/59/21/52/1119592152.db2.gz SXVHARZQMLQRHR-LBPRGKRZSA-N 0 1 281.469 3.797 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+](CC)Cc1ncccc1[O-] ZINC000685410874 1119603802 /nfs/dbraw/zinc/60/38/02/1119603802.db2.gz XCIPGWBZXYACEZ-MRXNPFEDSA-N 0 1 270.376 3.760 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CC)Cc1ncccc1[O-] ZINC000685410874 1119603803 /nfs/dbraw/zinc/60/38/03/1119603803.db2.gz XCIPGWBZXYACEZ-MRXNPFEDSA-N 0 1 270.376 3.760 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)o1 ZINC000685465055 1119611625 /nfs/dbraw/zinc/61/16/25/1119611625.db2.gz SXDOIEVXKPBIDA-STQMWFEESA-N 0 1 283.799 3.572 20 0 CHADMN Fc1cc(F)c(CN2CCC[C@H](C3CC3)C2)cc1F ZINC000685476762 1119614102 /nfs/dbraw/zinc/61/41/02/1119614102.db2.gz ZATVYTFCHQAYAS-NSHDSACASA-N 0 1 269.310 3.726 20 0 CHADMN CC(C)(C)OCCCCN1CCOc2cc(F)ccc2C1 ZINC000626153371 1119619955 /nfs/dbraw/zinc/61/99/55/1119619955.db2.gz GRHATQFKZGXXBJ-UHFFFAOYSA-N 0 1 295.398 3.615 20 0 CHADMN CO[C@H](C)c1nc(CN[C@H](C)C(C)(C)C(F)F)cs1 ZINC000657902788 1119620379 /nfs/dbraw/zinc/62/03/79/1119620379.db2.gz QJHMMMCNYMBWLW-RKDXNWHRSA-N 0 1 292.395 3.620 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000137498379 1119621620 /nfs/dbraw/zinc/62/16/20/1119621620.db2.gz MDAQLUBKSOYPPO-MRXNPFEDSA-N 0 1 291.435 3.915 20 0 CHADMN C[C@@H](NC[C@@H]1CCCCC1(F)F)c1nccs1 ZINC000294224228 1119622086 /nfs/dbraw/zinc/62/20/86/1119622086.db2.gz NUXVXFHIKIMIJP-ZJUUUORDSA-N 0 1 260.353 3.619 20 0 CHADMN CCCCCC[C@H](C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000176921998 1119624578 /nfs/dbraw/zinc/62/45/78/1119624578.db2.gz YZUPZCUHFZENDN-AWEZNQCLSA-N 0 1 291.439 3.688 20 0 CHADMN COc1ccc(C)cc1CN[C@H](C)c1cc2cnccc2o1 ZINC000657907852 1119625066 /nfs/dbraw/zinc/62/50/66/1119625066.db2.gz CTZAPHHGDUAITH-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN CCc1ccc(C(C)(C)NCc2oc(C)nc2C)cc1 ZINC000685571388 1119632913 /nfs/dbraw/zinc/63/29/13/1119632913.db2.gz ARSLOAQWQSOQJQ-UHFFFAOYSA-N 0 1 272.392 3.879 20 0 CHADMN CC(C)(C)C[C@H]1CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000143996739 1119635196 /nfs/dbraw/zinc/63/51/96/1119635196.db2.gz GPOOWCVRNQSWJT-CYBMUJFWSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1c[nH]nc1CNC(C)(C)c1ccc(C(C)C)cc1 ZINC000685615216 1119638345 /nfs/dbraw/zinc/63/83/45/1119638345.db2.gz CBQYZTRHLLOUQI-UHFFFAOYSA-N 0 1 271.408 3.866 20 0 CHADMN C[C@H](N[C@H]1COC2(CCC2)C1)c1c(F)cccc1Cl ZINC000657923358 1119642483 /nfs/dbraw/zinc/64/24/83/1119642483.db2.gz SZYCQXWJARLDSW-WDEREUQCSA-N 0 1 283.774 3.841 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000300410474 1119643935 /nfs/dbraw/zinc/64/39/35/1119643935.db2.gz HVMFRHLGLABJSY-FXPVBKGRSA-N 0 1 261.287 3.834 20 0 CHADMN CC[C@H](Cc1ccc(Cl)cc1)NCc1nnc(C)s1 ZINC000657971634 1119656341 /nfs/dbraw/zinc/65/63/41/1119656341.db2.gz LKCIIFZNAXUMFO-CYBMUJFWSA-N 0 1 295.839 3.611 20 0 CHADMN CC[C@@H](C)c1cccc(NC(=O)[C@@H](C)Cc2cnc[nH]2)c1 ZINC000628430674 1128860798 /nfs/dbraw/zinc/86/07/98/1128860798.db2.gz FFZQUTKLSZRFQG-OLZOCXBDSA-N 0 1 285.391 3.741 20 0 CHADMN Fc1ccc(/C=C\CN2CC(Cc3ccco3)C2)cc1 ZINC000628432738 1128861317 /nfs/dbraw/zinc/86/13/17/1128861317.db2.gz QDBLFTKLWFMDFV-IWQZZHSRSA-N 0 1 271.335 3.606 20 0 CHADMN Cc1cccc2[nH]c(CN3CC(Cc4ccco4)C3)cc21 ZINC000628433652 1128861525 /nfs/dbraw/zinc/86/15/25/1128861525.db2.gz XXCVDDIJJOFXQF-UHFFFAOYSA-N 0 1 280.371 3.744 20 0 CHADMN COC1CC(CCN[C@@H](CCc2ccccc2)C(F)F)C1 ZINC000658056803 1119676407 /nfs/dbraw/zinc/67/64/07/1119676407.db2.gz RNOBNOIABJNFSA-GPANFISMSA-N 0 1 297.389 3.658 20 0 CHADMN Cc1ccc2cc(CN3CC(Cc4ccco4)C3)[nH]c2c1 ZINC000628433208 1128861722 /nfs/dbraw/zinc/86/17/22/1128861722.db2.gz IONMGMKSUQGRMU-UHFFFAOYSA-N 0 1 280.371 3.744 20 0 CHADMN CC[C@@H](C)CCN[C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000658121842 1119688337 /nfs/dbraw/zinc/68/83/37/1119688337.db2.gz QWGYBDTZLNECJL-CXAGYDPISA-N 0 1 289.398 3.674 20 0 CHADMN CC[C@@H](C)CCN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000658121800 1119688625 /nfs/dbraw/zinc/68/86/25/1119688625.db2.gz QARZEIOSWZSROW-UKRRQHHQSA-N 0 1 257.381 3.525 20 0 CHADMN CC(C)C[C@@H](NCc1c(C2CC2)cnn1C)c1ccccn1 ZINC000658211518 1119700173 /nfs/dbraw/zinc/70/01/73/1119700173.db2.gz CWUMQQSZXWTFRA-QGZVFWFLSA-N 0 1 298.434 3.570 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1ccsc1 ZINC000658238556 1119710477 /nfs/dbraw/zinc/71/04/77/1119710477.db2.gz KATUFOCTNLLZLF-MEBBXXQBSA-N 0 1 259.374 3.792 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)no1 ZINC000658255908 1119714189 /nfs/dbraw/zinc/71/41/89/1119714189.db2.gz WUFUFKUQBIIRBY-AEGPPILISA-N 0 1 292.423 3.760 20 0 CHADMN Clc1ccc([C@@H]2CC[C@H](NCc3ncccn3)C2)cc1 ZINC000658276083 1119715018 /nfs/dbraw/zinc/71/50/18/1119715018.db2.gz NRWFYQLBTDKCJF-HIFRSBDPSA-N 0 1 287.794 3.556 20 0 CHADMN Cc1c([C@H](C)NCC2=CCCC2)nnn1-c1ccc(C)cc1 ZINC000658292905 1119719236 /nfs/dbraw/zinc/71/92/36/1119719236.db2.gz OSARSWXQMAKSFA-AWEZNQCLSA-N 0 1 296.418 3.645 20 0 CHADMN c1csc(CC2CN(Cc3cc4cccnc4o3)C2)c1 ZINC000628479721 1128864631 /nfs/dbraw/zinc/86/46/31/1128864631.db2.gz YMILBNVGORBDDC-UHFFFAOYSA-N 0 1 284.384 3.564 20 0 CHADMN CO[C@@H](CN[C@H](C)c1nc(C)sc1C)C1CCCC1 ZINC000658313532 1119722263 /nfs/dbraw/zinc/72/22/63/1119722263.db2.gz DEJPMYXYQVCXDF-YGRLFVJLSA-N 0 1 282.453 3.616 20 0 CHADMN COc1ccccc1[C@@H]1CCCN1C/C=C\Cl ZINC000255689997 1119725793 /nfs/dbraw/zinc/72/57/93/1119725793.db2.gz HCZDNHKVVBNBEJ-QGOGUYACSA-N 0 1 251.757 3.585 20 0 CHADMN CCC[C@H](N[C@H](C)c1nccn1C)c1ccc(OC)cc1 ZINC000658335334 1119726342 /nfs/dbraw/zinc/72/63/42/1119726342.db2.gz SJUWDWFOEZYJAR-CJNGLKHVSA-N 0 1 287.407 3.621 20 0 CHADMN CC[C@H](N[C@H](C)c1nccn1C)c1cccc(C)c1 ZINC000658338894 1119727348 /nfs/dbraw/zinc/72/73/48/1119727348.db2.gz MQCXPXOCUIMWNQ-HIFRSBDPSA-N 0 1 257.381 3.530 20 0 CHADMN Cc1cccc2c1CCC[C@H]2N[C@@H](C)c1cnccn1 ZINC000658338878 1119727483 /nfs/dbraw/zinc/72/74/83/1119727483.db2.gz OESOITBNJGWBKR-XJKSGUPXSA-N 0 1 267.376 3.513 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCCc3c(C)cccc32)nn1C ZINC000658340001 1119728174 /nfs/dbraw/zinc/72/81/74/1119728174.db2.gz WARZDJYIHUQHAU-PBHICJAKSA-N 0 1 283.419 3.765 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2N[C@@H](C)c1cc2n(n1)CCC2 ZINC000658339533 1119728235 /nfs/dbraw/zinc/72/82/35/1119728235.db2.gz KTSBLCAZPRSXNY-KSSFIOAISA-N 0 1 295.430 3.866 20 0 CHADMN C[C@@H](O)[C@H](N[C@@H](C)c1cc2cnccc2o1)c1ccccc1 ZINC000658357340 1119730551 /nfs/dbraw/zinc/73/05/51/1119730551.db2.gz POBKSEICLVWWBI-JCGVRSQUSA-N 0 1 296.370 3.601 20 0 CHADMN C[C@H](O)[C@H](N[C@@H](C)c1ccc(F)cc1F)c1ccccc1 ZINC000658361677 1119731290 /nfs/dbraw/zinc/73/12/90/1119731290.db2.gz NEVBYXCBZXKBFA-PRXAMGSTSA-N 0 1 291.341 3.738 20 0 CHADMN COc1cc(C)ccc1[C@H](C)N[C@H](c1ccccc1)[C@@H](C)O ZINC000658359691 1119731595 /nfs/dbraw/zinc/73/15/95/1119731595.db2.gz DYYRNOCWYMWBMF-KHYOSLBOSA-N 0 1 299.414 3.776 20 0 CHADMN C[C@H](O)[C@@H](N[C@@H](C)c1cc(F)cc(F)c1)c1ccccc1 ZINC000658364079 1119732452 /nfs/dbraw/zinc/73/24/52/1119732452.db2.gz ZICMDLLQOXMTPB-NVGCLXPQSA-N 0 1 291.341 3.738 20 0 CHADMN CC(C)O[C@@H](CN1CCC[C@@H]1CF)c1ccccc1 ZINC000339673338 1119733455 /nfs/dbraw/zinc/73/34/55/1119733455.db2.gz SQYLIYKPVADIHF-CVEARBPZSA-N 0 1 265.372 3.587 20 0 CHADMN COc1ccccc1CNCc1ccc(CC(C)C)nc1 ZINC000892441747 1119739342 /nfs/dbraw/zinc/73/93/42/1119739342.db2.gz UWUGBELCUCEQIU-UHFFFAOYSA-N 0 1 284.403 3.579 20 0 CHADMN Cc1nc(C)c(CNCc2ccccc2CC(F)(F)F)o1 ZINC000628494078 1128867434 /nfs/dbraw/zinc/86/74/34/1128867434.db2.gz DUGWZATZHWKHPA-UHFFFAOYSA-N 0 1 298.308 3.686 20 0 CHADMN Cc1cc(CN2CC[C@@H]3CCC[C@H]32)ncc1Br ZINC000628242083 1119745816 /nfs/dbraw/zinc/74/58/16/1119745816.db2.gz RGDKLYKPQJQCHR-SMDDNHRTSA-N 0 1 295.224 3.527 20 0 CHADMN CC(C)[C@@H](NCc1nccn1C1CC1)c1ccc(F)cc1 ZINC000892469920 1119747275 /nfs/dbraw/zinc/74/72/75/1119747275.db2.gz YPRUJOMXTOOOJU-QGZVFWFLSA-N 0 1 287.382 3.844 20 0 CHADMN Cc1cc(CN[C@@H]2CCSc3c(F)cccc32)sn1 ZINC000404371167 1119752325 /nfs/dbraw/zinc/75/23/25/1119752325.db2.gz IYRKGJDNOVGQBK-CYBMUJFWSA-N 0 1 294.420 3.917 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3sccc32)sn1 ZINC000404407402 1119752439 /nfs/dbraw/zinc/75/24/39/1119752439.db2.gz FLFMPDSYOKRKDA-GFCCVEGCSA-N 0 1 264.419 3.680 20 0 CHADMN Cc1cc(CN[C@@H]2CCSc3ccccc32)sn1 ZINC000404455941 1119754558 /nfs/dbraw/zinc/75/45/58/1119754558.db2.gz JPDYKXAESSCUHL-CYBMUJFWSA-N 0 1 276.430 3.778 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H]1C[C@@H](C)c2ccccc21 ZINC000343811167 1119756799 /nfs/dbraw/zinc/75/67/99/1119756799.db2.gz AKHXVNSCSNAJOW-IGCXYCKISA-N 0 1 282.387 3.989 20 0 CHADMN Cc1ncc(CN[C@@H]2c3ccccc3CCC[C@H]2C)o1 ZINC000628239600 1119759580 /nfs/dbraw/zinc/75/95/80/1119759580.db2.gz XSBXTDRLLWRKHU-PXAZEXFGSA-N 0 1 270.376 3.786 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccc(OCC)cc2)o1 ZINC000892479647 1119764668 /nfs/dbraw/zinc/76/46/68/1119764668.db2.gz JVNBYGBZVZRVTM-CYBMUJFWSA-N 0 1 289.375 3.928 20 0 CHADMN CC(C)Cc1ccc(CN[C@@H](C)c2cccnc2)cn1 ZINC000892480879 1119768332 /nfs/dbraw/zinc/76/83/32/1119768332.db2.gz HNPYAELUWXBSDD-AWEZNQCLSA-N 0 1 269.392 3.526 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccn1)c1ccnc(Cl)c1 ZINC000152380451 1119788764 /nfs/dbraw/zinc/78/87/64/1119788764.db2.gz ZBLKTXZIGNKQSU-MNOVXSKESA-N 0 1 261.756 3.542 20 0 CHADMN C#CCN(Cc1ccc(F)cc1)Cc1cc(C)c(C)cc1O ZINC000065943023 1119790892 /nfs/dbraw/zinc/79/08/92/1119790892.db2.gz WTDCXNKMDXTHHJ-UHFFFAOYSA-N 0 1 297.373 3.784 20 0 CHADMN C[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1occc1C(=O)[O-] ZINC000570099869 1119798627 /nfs/dbraw/zinc/79/86/27/1119798627.db2.gz BYRLNJCTYFEZBC-SFHVURJKSA-N 0 1 299.370 3.575 20 0 CHADMN C[C@@H]1CCN(Cc2nnc(C3CC3)s2)[C@H]2CCCC[C@@H]12 ZINC000570131551 1119801586 /nfs/dbraw/zinc/80/15/86/1119801586.db2.gz KZCQZFCPZXCSTN-XBFCOCLRSA-N 0 1 291.464 3.816 20 0 CHADMN C[C@H]1CCCN(Cc2nc(C(C)(C)C)cs2)C1 ZINC000154122696 1119817127 /nfs/dbraw/zinc/81/71/27/1119817127.db2.gz KPNFCYHBNZJNFI-NSHDSACASA-N 0 1 252.427 3.673 20 0 CHADMN CCCCN(Cn1c2c(sc1=O)CCCC2)[C@@H](C)CC ZINC000066076360 1119821491 /nfs/dbraw/zinc/82/14/91/1119821491.db2.gz ANIWMKCDSLJEGC-ZDUSSCGKSA-N 0 1 296.480 3.647 20 0 CHADMN CCCCN(Cn1c2c(sc1=O)CCCC2)[C@H](C)CC ZINC000066076362 1119821973 /nfs/dbraw/zinc/82/19/73/1119821973.db2.gz ANIWMKCDSLJEGC-CYBMUJFWSA-N 0 1 296.480 3.647 20 0 CHADMN Cc1cc(C)cc(CN[C@@H](C)c2cn3c(n2)CCCC3)c1 ZINC000926696567 1119822519 /nfs/dbraw/zinc/82/25/19/1119822519.db2.gz RFPACUPOHJGTJT-HNNXBMFYSA-N 0 1 283.419 3.687 20 0 CHADMN COc1cc(F)cc(C[C@@H](C)N[C@@H](C)c2cscn2)c1 ZINC000570404455 1119828832 /nfs/dbraw/zinc/82/88/32/1119828832.db2.gz IQJDSEFNIFIDSH-MNOVXSKESA-N 0 1 294.395 3.573 20 0 CHADMN CC[C@@H](OCCNCc1oc(C)nc1C)c1ccccc1 ZINC000628324456 1119832616 /nfs/dbraw/zinc/83/26/16/1119832616.db2.gz UNSDTYWAAJNKEY-MRXNPFEDSA-N 0 1 288.391 3.549 20 0 CHADMN Cc1ccc(-c2noc([C@@H]3CCN3C3CCCC3)n2)cc1 ZINC000923764106 1119844166 /nfs/dbraw/zinc/84/41/66/1119844166.db2.gz FHJWKMAEGUQCDF-HNNXBMFYSA-N 0 1 283.375 3.734 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(OC(F)F)cc2)nc1 ZINC000133726632 1119844674 /nfs/dbraw/zinc/84/46/74/1119844674.db2.gz OLOXFAWYLSBVJO-LBPRGKRZSA-N 0 1 292.329 3.842 20 0 CHADMN CC1(C)CC(C(=O)Nc2cccc3c2CN(C2CC2)C3)C1 ZINC000376143795 1119846005 /nfs/dbraw/zinc/84/60/05/1119846005.db2.gz UXQAWLOYMQLGKL-UHFFFAOYSA-N 0 1 284.403 3.539 20 0 CHADMN Cc1nc([C@H]2CCCCN2C[C@H]2CC(C)=C[C@H](C)C2)no1 ZINC000685834867 1119854192 /nfs/dbraw/zinc/85/41/92/1119854192.db2.gz SQJBDAFCUGJJNU-APHBMKBZSA-N 0 1 289.423 3.897 20 0 CHADMN CSc1ccc(CN(C)CCOC(C)(C)C)s1 ZINC000685839522 1119859080 /nfs/dbraw/zinc/85/90/80/1119859080.db2.gz YXWQYYKJAILJLK-UHFFFAOYSA-N 0 1 273.467 3.717 20 0 CHADMN C[C@H](N[C@@H]1CCOc2ccccc21)c1cnn(C2CCC2)c1 ZINC000924564578 1119859826 /nfs/dbraw/zinc/85/98/26/1119859826.db2.gz ROVVXXYAMAYJFF-SUMWQHHRSA-N 0 1 297.402 3.783 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c(Cl)ccnc21)c1cccnc1 ZINC000924564977 1119861150 /nfs/dbraw/zinc/86/11/50/1119861150.db2.gz QKCVFRVSXRKXFU-XHDPSFHLSA-N 0 1 287.794 3.858 20 0 CHADMN C[C@H](N[C@@H](c1cccs1)C1CC1)c1cc2n(n1)CCC2 ZINC000414061524 1119875108 /nfs/dbraw/zinc/87/51/08/1119875108.db2.gz KIZMRLUNWJZSPU-MEDUHNTESA-N 0 1 287.432 3.693 20 0 CHADMN C[C@H](NC[C@@H]1CCCO1)c1csc(-c2ccccc2)n1 ZINC000414061763 1119875861 /nfs/dbraw/zinc/87/58/61/1119875861.db2.gz ZKABNDADHNUTNV-JSGCOSHPSA-N 0 1 288.416 3.640 20 0 CHADMN CC(C)C[C@@H](N[C@H](C)c1ccn(C)n1)c1ccccc1 ZINC000414065379 1119876721 /nfs/dbraw/zinc/87/67/21/1119876721.db2.gz OJYNGHFJTAWPCZ-RHSMWYFYSA-N 0 1 271.408 3.858 20 0 CHADMN C[C@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccn(C)n1 ZINC000414066443 1119877964 /nfs/dbraw/zinc/87/79/64/1119877964.db2.gz PKUZRVQEPBEKHL-MEDUHNTESA-N 0 1 289.810 3.875 20 0 CHADMN C[C@H](N[C@@H](c1ccc(F)cc1)C(C)(C)C)c1ccn(C)n1 ZINC000414081009 1119888073 /nfs/dbraw/zinc/88/80/73/1119888073.db2.gz UDARUZOBLRSIGR-LRDDRELGSA-N 0 1 289.398 3.997 20 0 CHADMN CC[C@H](C)c1ccc([C@@H](NC(=O)CN(C)C)C(C)C)cc1 ZINC000613323269 1119902418 /nfs/dbraw/zinc/90/24/18/1119902418.db2.gz XIOMSSMVYAKXQM-KSSFIOAISA-N 0 1 290.451 3.575 20 0 CHADMN CO[C@@H](C)[C@@H](C)N[C@H](C)c1csc(-c2ccccc2)n1 ZINC000414137717 1119914069 /nfs/dbraw/zinc/91/40/69/1119914069.db2.gz GGRWSVFAFUTUOO-UPJWGTAASA-N 0 1 290.432 3.884 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414142502 1119915634 /nfs/dbraw/zinc/91/56/34/1119915634.db2.gz HXYFJCGOJHYQCW-IHRRRGAJSA-N 0 1 293.455 3.536 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)cn1)c1ccsc1 ZINC000134019963 1119917747 /nfs/dbraw/zinc/91/77/47/1119917747.db2.gz WCIDBWMFLYMIAP-NXEZZACHSA-N 0 1 250.342 3.694 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(C)c(C)n2)c(C)c1 ZINC000414163484 1119922399 /nfs/dbraw/zinc/92/23/99/1119922399.db2.gz IVNLDHIQCXCVMO-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN Cc1cccc(C)c1CNCc1cccc(F)c1F ZINC000083446808 1119924466 /nfs/dbraw/zinc/92/44/66/1119924466.db2.gz FWOWIXJPXDDSQW-UHFFFAOYSA-N 0 1 261.315 3.871 20 0 CHADMN COc1ccc([C@H](C)N[C@H](c2nccn2C)C2CC2)c(C)c1 ZINC000414173257 1119926594 /nfs/dbraw/zinc/92/65/94/1119926594.db2.gz ZJUJHTOOOTYDKI-GUYCJALGSA-N 0 1 299.418 3.539 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)C[C@H]1CCCCO1 ZINC000613486442 1119938630 /nfs/dbraw/zinc/93/86/30/1119938630.db2.gz NDUQNDYHJSJGOB-QWHCGFSZSA-N 0 1 267.800 3.902 20 0 CHADMN Cc1cc(Br)c(F)cc1CN1C[C@H]2CC[C@@H]1C2 ZINC001140795735 1119942775 /nfs/dbraw/zinc/94/27/75/1119942775.db2.gz LWZYGKVGHGFDJL-CMPLNLGQSA-N 0 1 298.199 3.881 20 0 CHADMN CC(C)CCN(C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000613502618 1119944709 /nfs/dbraw/zinc/94/47/09/1119944709.db2.gz UFQNIYNZKIDMHJ-UHFFFAOYSA-N 0 1 290.451 3.901 20 0 CHADMN CC[C@@H](N[C@@H](CC)c1ccn(C)n1)c1ccccc1 ZINC000414223877 1119945309 /nfs/dbraw/zinc/94/53/09/1119945309.db2.gz PVEHIXVLWOPLRV-CABCVRRESA-N 0 1 257.381 3.612 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H]2CS[C@H](C)C2)cs1 ZINC000414230841 1119949075 /nfs/dbraw/zinc/94/90/75/1119949075.db2.gz OKVWDDPXGRVSPA-MXWKQRLJSA-N 0 1 270.467 3.811 20 0 CHADMN C[C@@H](N[C@@H]1CS[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000414233233 1119950109 /nfs/dbraw/zinc/95/01/09/1119950109.db2.gz RFTQSADROBVPTR-PRJMDXOYSA-N 0 1 296.383 3.707 20 0 CHADMN Cc1ccc(CN2CC[C@H](OC(C)C)C2)c(Cl)c1 ZINC001140800544 1119950148 /nfs/dbraw/zinc/95/01/48/1119950148.db2.gz LBJRCRYWBDNZBZ-AWEZNQCLSA-N 0 1 267.800 3.648 20 0 CHADMN CC[C@H]1CCC[C@H](NCc2nccc(C(F)(F)F)n2)C1 ZINC000414240540 1119952799 /nfs/dbraw/zinc/95/27/99/1119952799.db2.gz MBANRQZYMOBGSR-QWRGUYRKSA-N 0 1 287.329 3.554 20 0 CHADMN CCc1ncc(CN[C@H](C)c2cc3ccccc3o2)cn1 ZINC000414249946 1119955597 /nfs/dbraw/zinc/95/55/97/1119955597.db2.gz FUZWTABOJZPLGI-GFCCVEGCSA-N 0 1 281.359 3.636 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H]2c2cccs2)nc1 ZINC000083595772 1119961001 /nfs/dbraw/zinc/96/10/01/1119961001.db2.gz MERXBJNCLBMBCH-OAHLLOKOSA-N 0 1 288.416 3.879 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CCCC1(C)C ZINC000170872896 1119961538 /nfs/dbraw/zinc/96/15/38/1119961538.db2.gz IGIKRMBOLWFPKK-UHFFFAOYSA-N 0 1 275.371 3.570 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CCCC1(C)C ZINC000170872783 1119961579 /nfs/dbraw/zinc/96/15/79/1119961579.db2.gz CEZPGSQHLOPWPG-UHFFFAOYSA-N 0 1 274.408 3.623 20 0 CHADMN CCc1ncc(CN[C@H](C)c2ccc3c(c2)CCCC3)cn1 ZINC000414269115 1119961755 /nfs/dbraw/zinc/96/17/55/1119961755.db2.gz VADRTXXAIXIGSA-CQSZACIVSA-N 0 1 295.430 3.769 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000079417926 1119962995 /nfs/dbraw/zinc/96/29/95/1119962995.db2.gz MOYWSTKCWRTAQC-CYBMUJFWSA-N 0 1 293.382 3.782 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cnc3ccccc3c1)CO2 ZINC000763495097 1128880812 /nfs/dbraw/zinc/88/08/12/1128880812.db2.gz IQWZBTIFFUGVMZ-GOSISDBHSA-N 0 1 290.366 3.767 20 0 CHADMN CCC1(C)CCC(N[C@@H](C)c2csnn2)CC1 ZINC000414296262 1119970175 /nfs/dbraw/zinc/97/01/75/1119970175.db2.gz GJPXGZUZHDMIBA-ZBOXLXRLSA-N 0 1 253.415 3.548 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cnc3ccccc3c1)CO2 ZINC000763495098 1128881086 /nfs/dbraw/zinc/88/10/86/1128881086.db2.gz IQWZBTIFFUGVMZ-SFHVURJKSA-N 0 1 290.366 3.767 20 0 CHADMN Cc1c([C@@H](C)N[C@@H]2CCCC[C@H]2F)cnn1C(C)(C)C ZINC000414315150 1119979384 /nfs/dbraw/zinc/97/93/84/1119979384.db2.gz RPPJAJNWIRPEDU-KCPJHIHWSA-N 0 1 281.419 3.878 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(C(C)(C)O)cc1)c1ccns1 ZINC000926775063 1119999059 /nfs/dbraw/zinc/99/90/59/1119999059.db2.gz VJLRFJJCFGTYAU-VXGBXAGGSA-N 0 1 290.432 3.782 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1cccs1 ZINC000376490904 1120013254 /nfs/dbraw/zinc/01/32/54/1120013254.db2.gz IRVLJHNOHFNAGY-VXGBXAGGSA-N 0 1 261.394 3.590 20 0 CHADMN CCc1ncc(CN2C[C@H](C)C[C@@H]2c2cccc(F)c2)cn1 ZINC000414392894 1120016453 /nfs/dbraw/zinc/01/64/53/1120016453.db2.gz HBRHGQFCMBQBQY-CXAGYDPISA-N 0 1 299.393 3.761 20 0 CHADMN CCCCN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000376506132 1120019086 /nfs/dbraw/zinc/01/90/86/1120019086.db2.gz JNQNDCRSMHSEED-ZDUSSCGKSA-N 0 1 263.385 3.664 20 0 CHADMN COc1cccc(CNCc2csc(C)c2C)c1F ZINC000399908410 1120023207 /nfs/dbraw/zinc/02/32/07/1120023207.db2.gz DXVKVFYCYHQKMT-UHFFFAOYSA-N 0 1 279.380 3.802 20 0 CHADMN CCOc1ccc(-c2nccc3c2ccn3C)cc1 ZINC001239562361 1120023518 /nfs/dbraw/zinc/02/35/18/1120023518.db2.gz POHCVOQAEJTJFJ-UHFFFAOYSA-N 0 1 252.317 3.639 20 0 CHADMN CC(C)[C@@H]1C[C@H](Nc2ncnc3[nH]cnc32)c2ccccc21 ZINC000624611632 1120035594 /nfs/dbraw/zinc/03/55/94/1120035594.db2.gz XRYIXQCZWYMYOA-KBPBESRZSA-N 0 1 293.374 3.649 20 0 CHADMN Cc1cccc(NS(=O)(=O)c2ccc(C)cc2Cl)c1 ZINC000025365141 1120038627 /nfs/dbraw/zinc/03/86/27/1120038627.db2.gz XMFDOVVSSBBKEC-UHFFFAOYSA-N 0 1 295.791 3.758 20 0 CHADMN CC[C@H](C)[C@H](C)C(=O)Nc1ccccc1Nc1ccncc1 ZINC000647642327 1120050712 /nfs/dbraw/zinc/05/07/12/1120050712.db2.gz OQRGMAMQWTZEGI-KBPBESRZSA-N 0 1 297.402 3.868 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc(OC(C)C)cc3)c2c1 ZINC000094660718 1120053376 /nfs/dbraw/zinc/05/33/76/1120053376.db2.gz OPEMGQZOPOMVAS-UHFFFAOYSA-N 0 1 281.359 3.703 20 0 CHADMN Cc1ccc(Nc2cc(C)nc3ccccc32)c(CO)c1 ZINC001214449630 1120064123 /nfs/dbraw/zinc/06/41/23/1120064123.db2.gz YQMSWXUKAJEVKB-UHFFFAOYSA-N 0 1 278.355 3.509 20 0 CHADMN Cc1cc(C)cc(C[N@H+]2CCOc3ccccc3C2)c1 ZINC000613564672 1120065097 /nfs/dbraw/zinc/06/50/97/1120065097.db2.gz HKKCAKVFSHQRLX-UHFFFAOYSA-N 0 1 267.372 3.698 20 0 CHADMN Cc1cc(C)cc(CN2CCOc3ccccc3C2)c1 ZINC000613564672 1120065105 /nfs/dbraw/zinc/06/51/05/1120065105.db2.gz HKKCAKVFSHQRLX-UHFFFAOYSA-N 0 1 267.372 3.698 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cnn(C3CCC3)c2)cc1F ZINC000924592164 1120076416 /nfs/dbraw/zinc/07/64/16/1120076416.db2.gz UIODHSLXCOVKGW-CYBMUJFWSA-N 0 1 287.382 3.906 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cnn(C3CCC3)c2)cc1F ZINC000924592168 1120076513 /nfs/dbraw/zinc/07/65/13/1120076513.db2.gz UIODHSLXCOVKGW-ZDUSSCGKSA-N 0 1 287.382 3.906 20 0 CHADMN C[C@H](NCc1cc(N(C)C)ccn1)c1csc(Cl)c1 ZINC000903198064 1120077759 /nfs/dbraw/zinc/07/77/59/1120077759.db2.gz FAESWRMBSBYYHT-JTQLQIEISA-N 0 1 295.839 3.713 20 0 CHADMN COC(C)(C)[C@@H](C)N[C@H](C)c1csc(C(C)C)n1 ZINC000903329321 1120083264 /nfs/dbraw/zinc/08/32/64/1120083264.db2.gz BQJGYOBSKPADKR-GHMZBOCLSA-N 0 1 270.442 3.731 20 0 CHADMN CCC(C)(C)[C@H]1CCCN1Cc1nc(C(C)C)no1 ZINC000178908341 1120087106 /nfs/dbraw/zinc/08/71/06/1120087106.db2.gz VVOGMYVLFYDZEV-GFCCVEGCSA-N 0 1 265.401 3.594 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN(C)CCC1CC1 ZINC000179246726 1120092366 /nfs/dbraw/zinc/09/23/66/1120092366.db2.gz ZDOVTPDLYKNIAC-UHFFFAOYSA-N 0 1 275.392 3.520 20 0 CHADMN O=C(C=Cc1ccccc1Cl)Nc1ccc2nc[nH]c2c1 ZINC000253458546 1120094516 /nfs/dbraw/zinc/09/45/16/1120094516.db2.gz KMCUCUCFCRLMEH-VMPITWQZSA-N 0 1 297.745 3.868 20 0 CHADMN COc1cc(F)cc(CN[C@@H](C)c2sc(C)nc2C)c1 ZINC000179595554 1120094868 /nfs/dbraw/zinc/09/48/68/1120094868.db2.gz XKAGOFWUBJGGKV-VIFPVBQESA-N 0 1 294.395 3.758 20 0 CHADMN CCCc1cnc(NC(=O)c2ccc(O)c(Cl)c2)s1 ZINC000181268220 1120102781 /nfs/dbraw/zinc/10/27/81/1120102781.db2.gz GNTMORBEFYSNIA-UHFFFAOYSA-N 0 1 296.779 3.707 20 0 CHADMN Cc1cc([C@H](C)NCc2cccc3ccccc32)nn1C ZINC000282285220 1120104287 /nfs/dbraw/zinc/10/42/87/1120104287.db2.gz RVUOCLJQEAMNIB-AWEZNQCLSA-N 0 1 279.387 3.733 20 0 CHADMN CCO[C@H](CC)c1noc([C@H]2CCCN2C2CCCC2)n1 ZINC000665041935 1120104664 /nfs/dbraw/zinc/10/46/64/1120104664.db2.gz YUPGSZQMZGCTDQ-ZIAGYGMSSA-N 0 1 293.411 3.637 20 0 CHADMN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000935972948 1120109008 /nfs/dbraw/zinc/10/90/08/1120109008.db2.gz JKLHJFUBLMNEJW-KYXWUPHJSA-N 0 1 297.757 3.805 20 0 CHADMN CC(C)=CCC[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000659794020 1120111881 /nfs/dbraw/zinc/11/18/81/1120111881.db2.gz HSWZHXBDWDBZAS-JKSUJKDBSA-N 0 1 273.376 3.633 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000659798429 1120112182 /nfs/dbraw/zinc/11/21/82/1120112182.db2.gz CXJDUTDTOUVDKX-VYDXJSESSA-N 0 1 281.440 3.780 20 0 CHADMN C[N@@H+](Cc1ccc(C2CCCC2)cc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659802431 1120113182 /nfs/dbraw/zinc/11/31/82/1120113182.db2.gz WPIZZMMMMIKYRR-CALCHBBNSA-N 0 1 287.403 3.639 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000659803198 1120113518 /nfs/dbraw/zinc/11/35/18/1120113518.db2.gz GBFMZARXSHIUBY-HOTGVXAUSA-N 0 1 281.440 3.922 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@@H]2CC2CCC2)cc1 ZINC000659804452 1120114619 /nfs/dbraw/zinc/11/46/19/1120114619.db2.gz ZZQLNFBDDAPAAJ-QGZVFWFLSA-N 0 1 287.403 3.930 20 0 CHADMN COc1ccc(F)cc1CN[C@H](C)c1ccc(C)cc1 ZINC000182332505 1120117357 /nfs/dbraw/zinc/11/73/57/1120117357.db2.gz OBKBPLATHTYFHQ-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCC(c2cn[nH]c2)CC1 ZINC000356744715 1120118595 /nfs/dbraw/zinc/11/85/95/1120118595.db2.gz PLAGQVAJNMRXCK-LLVKDONJSA-N 0 1 291.345 3.629 20 0 CHADMN C[C@@H]1SCCN(C/C=C/c2ccc(F)cc2F)[C@H]1C ZINC000542702719 1120123182 /nfs/dbraw/zinc/12/31/82/1120123182.db2.gz RAQNKNQLTMWDFG-QSKOYVBTSA-N 0 1 283.387 3.804 20 0 CHADMN COc1ccc(CNCc2ccc(OC(C)(C)C)cc2)o1 ZINC000892723260 1120127172 /nfs/dbraw/zinc/12/71/72/1120127172.db2.gz JZSDOHYASIYNDU-UHFFFAOYSA-N 0 1 289.375 3.755 20 0 CHADMN Fc1cnccc1CN1CCCC[C@@H]1c1ccccc1 ZINC000449244265 1128892162 /nfs/dbraw/zinc/89/21/62/1128892162.db2.gz RDPYTKYACAEQSK-QGZVFWFLSA-N 0 1 270.351 3.948 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2ccc(OC)o2)c1 ZINC000892759137 1120137722 /nfs/dbraw/zinc/13/77/22/1120137722.db2.gz VDGKKEOGGUHTED-GFCCVEGCSA-N 0 1 275.348 3.538 20 0 CHADMN Cc1oc(C(C)(C)C)cc1CNCc1cccc(O)c1 ZINC000892785704 1120142520 /nfs/dbraw/zinc/14/25/20/1120142520.db2.gz URQNZXTXQYLTNB-UHFFFAOYSA-N 0 1 273.376 3.881 20 0 CHADMN CC[C@@H]1CCC[C@H](C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])C1 ZINC000394510805 1120147985 /nfs/dbraw/zinc/14/79/85/1120147985.db2.gz AQXVUVUKMDCGBB-OWCLPIDISA-N 0 1 281.440 3.922 20 0 CHADMN CCOc1ccc(F)c(F)c1CN(C)CC1CCC1 ZINC001143495141 1120163741 /nfs/dbraw/zinc/16/37/41/1120163741.db2.gz DMFPGBLBDOIAEF-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN Cc1ccc(CNCc2ccc(C3CC3)cc2)nc1C ZINC000314006675 1120163970 /nfs/dbraw/zinc/16/39/70/1120163970.db2.gz DALRGLGIKVTFEJ-UHFFFAOYSA-N 0 1 266.388 3.866 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC[C@@H](C)C1 ZINC000302799105 1120164159 /nfs/dbraw/zinc/16/41/59/1120164159.db2.gz NWPANRZVAFOCJS-HUUCEWRRSA-N 0 1 288.435 3.869 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NCc1cc(C(C)(C)C)oc1C ZINC000892936067 1120165804 /nfs/dbraw/zinc/16/58/04/1120165804.db2.gz NZXSRKPWQFNLEZ-NSHDSACASA-N 0 1 289.423 3.778 20 0 CHADMN CC(C)c1nc(C[N@H+]2C[C@H](C)CC[C@@H]2C)cs1 ZINC000174476317 1120169766 /nfs/dbraw/zinc/16/97/66/1120169766.db2.gz POHLKJTYRAFGLV-NEPJUHHUSA-N 0 1 252.427 3.887 20 0 CHADMN CC(C)c1nc(CN2C[C@H](C)CC[C@@H]2C)cs1 ZINC000174476317 1120169769 /nfs/dbraw/zinc/16/97/69/1120169769.db2.gz POHLKJTYRAFGLV-NEPJUHHUSA-N 0 1 252.427 3.887 20 0 CHADMN CC/C=C\CN[C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623993135 1120172338 /nfs/dbraw/zinc/17/23/38/1120172338.db2.gz JULBOYFNCLGGNY-UQYHUFHVSA-N 0 1 269.392 3.704 20 0 CHADMN CCCN(Cc1noc(-c2ccccc2C)n1)CC(C)C ZINC000472779643 1120174336 /nfs/dbraw/zinc/17/43/36/1120174336.db2.gz UQJBBKLDZMXBJK-UHFFFAOYSA-N 0 1 287.407 3.913 20 0 CHADMN CC(C)n1cc([C@H](C)NCc2ccc3c(c2)C[C@@H](C)O3)cn1 ZINC000921734951 1120178839 /nfs/dbraw/zinc/17/88/39/1120178839.db2.gz JFYHXXPMXBIJLK-KGLIPLIRSA-N 0 1 299.418 3.638 20 0 CHADMN CC[C@](C)(NCc1c(Cl)c(C)nn1C)c1ccccc1 ZINC000892973411 1120186810 /nfs/dbraw/zinc/18/68/10/1120186810.db2.gz QUONCCIPRAWLQR-INIZCTEOSA-N 0 1 291.826 3.797 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cc(C)nc2c1CCCC2 ZINC000892979541 1120187449 /nfs/dbraw/zinc/18/74/49/1120187449.db2.gz HQTNSXFQIQILBX-LBPRGKRZSA-N 0 1 299.418 3.724 20 0 CHADMN c1cc(CNCc2coc3ccccc23)n(C2CCC2)n1 ZINC000921740546 1120187595 /nfs/dbraw/zinc/18/75/95/1120187595.db2.gz LZBUEMBKHSQJKU-UHFFFAOYSA-N 0 1 281.359 3.644 20 0 CHADMN Cc1c2ccccc2oc1CNCc1ccnn1C1CCC1 ZINC000921743884 1120193326 /nfs/dbraw/zinc/19/33/26/1120193326.db2.gz AMEOMQNHSCSIQK-UHFFFAOYSA-N 0 1 295.386 3.953 20 0 CHADMN CCc1ccc(CCNCc2c(F)ccc(O)c2F)cc1 ZINC000511214308 1120194338 /nfs/dbraw/zinc/19/43/38/1120194338.db2.gz FMPOJCYSYKHELO-UHFFFAOYSA-N 0 1 291.341 3.565 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccccc2C)c1F ZINC000165826476 1120203331 /nfs/dbraw/zinc/20/33/31/1120203331.db2.gz WCHNRZCRGGODDT-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN CCS[C@H]1CCCC[C@H]1NCc1ncoc1C(C)C ZINC001116743795 1120206561 /nfs/dbraw/zinc/20/65/61/1120206561.db2.gz YPNTWIOIQLLLQT-OCCSQVGLSA-N 0 1 282.453 3.952 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000338724826 1120213152 /nfs/dbraw/zinc/21/31/52/1120213152.db2.gz LBDRBMWPEJOKFI-XJKSGUPXSA-N 0 1 289.810 3.935 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H](n2cccn2)C1 ZINC000338724826 1120213154 /nfs/dbraw/zinc/21/31/54/1120213154.db2.gz LBDRBMWPEJOKFI-XJKSGUPXSA-N 0 1 289.810 3.935 20 0 CHADMN CC[C@@H](C)C[C@H](C)NCc1nnc(C(C)C)s1 ZINC000893084521 1120217813 /nfs/dbraw/zinc/21/78/13/1120217813.db2.gz BWHYNQOGLNTAIA-MNOVXSKESA-N 0 1 255.431 3.576 20 0 CHADMN Cc1ccc(C)n1C1CCN(Cc2nc(C)oc2C)CC1 ZINC000659871577 1120224261 /nfs/dbraw/zinc/22/42/61/1120224261.db2.gz UNAOLPOJPZWHFQ-UHFFFAOYSA-N 0 1 287.407 3.547 20 0 CHADMN Cc1cc(Cl)cc(CNCc2cccc3c2OCO3)c1 ZINC000395273107 1120228496 /nfs/dbraw/zinc/22/84/96/1120228496.db2.gz UWHFZTMVDXKKPH-UHFFFAOYSA-N 0 1 289.762 3.667 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnn(C3CCC3)c2)ccc1F ZINC000921821027 1120229186 /nfs/dbraw/zinc/22/91/86/1120229186.db2.gz NAHPJJLKDRWRHF-CYBMUJFWSA-N 0 1 287.382 3.906 20 0 CHADMN C[C@@H]1CCCCN1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000061758438 1120229798 /nfs/dbraw/zinc/22/97/98/1120229798.db2.gz SCTXXRVSHZAPFH-GFCCVEGCSA-N 0 1 295.810 3.876 20 0 CHADMN COCCC1(CNCc2nc(C(C)(C)C)co2)CCCC1 ZINC000921841672 1120238903 /nfs/dbraw/zinc/23/89/03/1120238903.db2.gz IRGPIRNTIOLRTR-UHFFFAOYSA-N 0 1 294.439 3.659 20 0 CHADMN CCCSC[C@H](C)NCc1nc(C(C)C)cs1 ZINC000893153716 1120239320 /nfs/dbraw/zinc/23/93/20/1120239320.db2.gz WGEOJVGXCBICFS-NSHDSACASA-N 0 1 272.483 3.888 20 0 CHADMN CC(C)OCCCNc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001168681643 1120241685 /nfs/dbraw/zinc/24/16/85/1120241685.db2.gz OIISHFOMHLKIEN-UHFFFAOYSA-N 0 1 283.375 3.943 20 0 CHADMN Clc1ccc(CCNCc2nccs2)c(Cl)c1 ZINC000110908014 1120242422 /nfs/dbraw/zinc/24/24/22/1120242422.db2.gz VBILAWTXQWETGB-UHFFFAOYSA-N 0 1 287.215 3.782 20 0 CHADMN O=C(OCc1cc(C2CC2)[nH]n1)c1cscc1C(F)F ZINC000893156960 1120242445 /nfs/dbraw/zinc/24/24/45/1120242445.db2.gz IFBGHYKOTVZOPM-UHFFFAOYSA-N 0 1 298.314 3.643 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2cc3c(cccc3F)s2)n1 ZINC000843148113 1120243190 /nfs/dbraw/zinc/24/31/90/1120243190.db2.gz NCTCFADABKRGHP-LBPRGKRZSA-N 0 1 291.351 3.746 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2Cc3cccc(Cl)c3C2)cs1 ZINC001168683792 1120243703 /nfs/dbraw/zinc/24/37/03/1120243703.db2.gz AAQMYFBQGYSQTM-JOYOIKCWSA-N 0 1 292.835 3.923 20 0 CHADMN CCc1ccc([C@@H](C)Cc2nc([C@H](N)C(C)C)no2)cc1 ZINC000843148907 1120246462 /nfs/dbraw/zinc/24/64/62/1120246462.db2.gz FTPXHHIZXOSGSD-BLLLJJGKSA-N 0 1 287.407 3.634 20 0 CHADMN CCCCCC(C)(C)c1nc([C@H](N)C(C)C)no1 ZINC000843150079 1120250805 /nfs/dbraw/zinc/25/08/05/1120250805.db2.gz SFPWPNQOCPAYSU-LLVKDONJSA-N 0 1 253.390 3.583 20 0 CHADMN CC(C)[C@@H](N)c1noc(/C=C\c2ccc(Cl)s2)n1 ZINC000843148259 1120251053 /nfs/dbraw/zinc/25/10/53/1120251053.db2.gz OHOOMXBGYIDHGL-VLWUPBBWSA-N 0 1 283.784 3.611 20 0 CHADMN CC(C)C[C@H](NCc1cccc2c1OCC2)c1ccccn1 ZINC000921855682 1120254099 /nfs/dbraw/zinc/25/40/99/1120254099.db2.gz HZOQPBYXXMSDFH-SFHVURJKSA-N 0 1 296.414 3.894 20 0 CHADMN COc1ccc(Cl)cc1CN(C)[C@H]1C=CCCC1 ZINC000111190133 1120254694 /nfs/dbraw/zinc/25/46/94/1120254694.db2.gz CQKUTFTZGGELAX-AWEZNQCLSA-N 0 1 265.784 3.889 20 0 CHADMN CC[C@@H](C)C[C@H](C)Nc1ccc2cc(C(=O)OC)[nH]c2n1 ZINC001168690912 1120260469 /nfs/dbraw/zinc/26/04/69/1120260469.db2.gz AUQRGWJTXOLPRT-MNOVXSKESA-N 0 1 289.379 3.586 20 0 CHADMN Cc1coc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)cc12 ZINC001128170115 1120263171 /nfs/dbraw/zinc/26/31/71/1120263171.db2.gz OXWSQXYDXIQSDP-OAHLLOKOSA-N 0 1 286.375 3.553 20 0 CHADMN Cc1sc(NC(=O)C[N@H+](C)CCC(C)C)c(C)c1C ZINC000075643216 1120263586 /nfs/dbraw/zinc/26/35/86/1120263586.db2.gz ODNRHAOAWCTEPH-UHFFFAOYSA-N 0 1 282.453 3.590 20 0 CHADMN Cc1sc(NC(=O)CN(C)CCC(C)C)c(C)c1C ZINC000075643216 1120263589 /nfs/dbraw/zinc/26/35/89/1120263589.db2.gz ODNRHAOAWCTEPH-UHFFFAOYSA-N 0 1 282.453 3.590 20 0 CHADMN CC(C)CCn1cccc1CNCc1ccccc1F ZINC000161539431 1120263971 /nfs/dbraw/zinc/26/39/71/1120263971.db2.gz NGKBDIZMAJBWGD-UHFFFAOYSA-N 0 1 274.383 3.963 20 0 CHADMN CCc1cnc(CN2CCCC[C@@H]2Cc2ccccc2)o1 ZINC000075685198 1120264537 /nfs/dbraw/zinc/26/45/37/1120264537.db2.gz ZIVANPSCSTWYMQ-MRXNPFEDSA-N 0 1 284.403 3.834 20 0 CHADMN CC(=O)Nc1cccc(CNCc2cccc(Cl)c2)c1 ZINC000075827187 1120268199 /nfs/dbraw/zinc/26/81/99/1120268199.db2.gz QDYVEXMMKKXJAY-UHFFFAOYSA-N 0 1 288.778 3.588 20 0 CHADMN CC[C@@H](C)C[C@H](C)Nc1cc(OC(F)F)ccn1 ZINC001168692695 1120268935 /nfs/dbraw/zinc/26/89/35/1120268935.db2.gz JFBGHAIGDSVSTR-ZJUUUORDSA-N 0 1 258.312 3.920 20 0 CHADMN C[C@@H](NCC1(Cc2ccccc2)CCC1)c1ncco1 ZINC000925522157 1120273115 /nfs/dbraw/zinc/27/31/15/1120273115.db2.gz GBNUEHVRLNKASV-CQSZACIVSA-N 0 1 270.376 3.738 20 0 CHADMN Cc1cncc(CN[C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000182171658 1120274433 /nfs/dbraw/zinc/27/44/33/1120274433.db2.gz XGHCFXXCVXCMCN-MRXNPFEDSA-N 0 1 286.350 3.533 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1scnc1C1CC1 ZINC000355190670 1120277163 /nfs/dbraw/zinc/27/71/63/1120277163.db2.gz AGMFOTCGIUEDAW-WPRPVWTQSA-N 0 1 290.354 3.793 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1cnc2ccccc2n1 ZINC000659905620 1120277380 /nfs/dbraw/zinc/27/73/80/1120277380.db2.gz BNTPVVPJYLZQLF-CQSZACIVSA-N 0 1 289.382 3.749 20 0 CHADMN CC(C)C[C@H](C)NCc1csc(C(F)(F)F)n1 ZINC000893182097 1120284975 /nfs/dbraw/zinc/28/49/75/1120284975.db2.gz JAUXOORJRLEWAM-QMMMGPOBSA-N 0 1 266.332 3.686 20 0 CHADMN Cc1nc(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)c(C)o1 ZINC000659929186 1120291651 /nfs/dbraw/zinc/29/16/51/1120291651.db2.gz QJOMJENHGCKYGG-GOSISDBHSA-N 0 1 284.403 3.845 20 0 CHADMN Cc1nc(CN2CCC[C@@](C)(c3ccccc3)C2)c(C)o1 ZINC000659929186 1120291655 /nfs/dbraw/zinc/29/16/55/1120291655.db2.gz QJOMJENHGCKYGG-GOSISDBHSA-N 0 1 284.403 3.845 20 0 CHADMN C[C@@H](N[C@H]1CCC(F)(F)C1)c1nc2c(s1)CCCC2 ZINC000679071815 1120292235 /nfs/dbraw/zinc/29/22/35/1120292235.db2.gz LKMGQIMJASPUOM-ZJUUUORDSA-N 0 1 286.391 3.860 20 0 CHADMN CCc1noc(CN(C2CC2)C2CCC(CC)CC2)n1 ZINC000076745603 1120294915 /nfs/dbraw/zinc/29/49/15/1120294915.db2.gz RSJYBBVBIJSRJG-UHFFFAOYSA-N 0 1 277.412 3.565 20 0 CHADMN CCC(C)(C)NC(=O)CN1CCCCC[C@@H]1c1ccco1 ZINC000076803483 1120297064 /nfs/dbraw/zinc/29/70/64/1120297064.db2.gz JTOIQBNOVQRHSY-CQSZACIVSA-N 0 1 292.423 3.502 20 0 CHADMN CC[C@@H](C)c1cccc(NS(=O)(=O)c2ccoc2)c1 ZINC000629313296 1128906359 /nfs/dbraw/zinc/90/63/59/1128906359.db2.gz FOFYKQXDFWTWKP-LLVKDONJSA-N 0 1 279.361 3.594 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cccc2ncccc21 ZINC000077010632 1120305719 /nfs/dbraw/zinc/30/57/19/1120305719.db2.gz WWSIUZOBHZZEMR-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN Cc1nnc(CN[C@@H](C)Cc2ccc(C(C)C)cc2)s1 ZINC000893211749 1120307763 /nfs/dbraw/zinc/30/77/63/1120307763.db2.gz XAXDMTSXRQKXHH-LBPRGKRZSA-N 0 1 289.448 3.691 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1scnc1Cl ZINC001137822483 1120311076 /nfs/dbraw/zinc/31/10/76/1120311076.db2.gz BMIXJJICBUWHCK-SNVBAGLBSA-N 0 1 258.818 3.951 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2nc(C)oc2C)C1 ZINC000659969732 1120315485 /nfs/dbraw/zinc/31/54/85/1120315485.db2.gz GKERCEVPIXVKBY-HNNXBMFYSA-N 0 1 250.386 3.694 20 0 CHADMN FC(F)(F)c1nc(CNCCC2=CCCC2)cs1 ZINC000893224179 1120317147 /nfs/dbraw/zinc/31/71/47/1120317147.db2.gz ZWAMPPJNQZHYHG-UHFFFAOYSA-N 0 1 276.327 3.752 20 0 CHADMN CCN(c1ccc(N[C@@H](C)CCOC)cc1)C(C)C ZINC000182773115 1120328011 /nfs/dbraw/zinc/32/80/11/1120328011.db2.gz GBXUXXIVFWBZQW-AWEZNQCLSA-N 0 1 264.413 3.758 20 0 CHADMN CCC[C@H](C)CCC[N@@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000629364013 1128908494 /nfs/dbraw/zinc/90/84/94/1128908494.db2.gz JZNLKRVVGRZYFQ-UONOGXRCSA-N 0 1 257.418 3.634 20 0 CHADMN C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000819352594 1131243613 /nfs/dbraw/zinc/24/36/13/1131243613.db2.gz PQKUCKVQPNPRQJ-IUODEOHRSA-N 0 1 292.398 3.652 20 0 CHADMN c1coc([C@@H]2CN(CC[C@@H]3CCc4ccccc43)CCO2)c1 ZINC000659994330 1120330266 /nfs/dbraw/zinc/33/02/66/1120330266.db2.gz QRCMRMJPQOXRQB-LPHOPBHVSA-N 0 1 297.398 3.773 20 0 CHADMN CC[C@@H]1CN(C)c2ccccc2CN1Cc1nc(C)oc1C ZINC000659996660 1120331806 /nfs/dbraw/zinc/33/18/06/1120331806.db2.gz ONPPOGMFWCFJDZ-MRXNPFEDSA-N 0 1 299.418 3.522 20 0 CHADMN C/C=C\C[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])oc2CC)C1 ZINC000629375704 1128908842 /nfs/dbraw/zinc/90/88/42/1128908842.db2.gz MRECHMMOCOOWAI-DXTPNHAXSA-N 0 1 291.391 3.718 20 0 CHADMN C[C@@H](CCc1ccccc1F)N[C@H]1CCCC1(F)F ZINC000672620385 1120333988 /nfs/dbraw/zinc/33/39/88/1120333988.db2.gz MFHCQNWECNQSEU-FZMZJTMJSA-N 0 1 271.326 3.924 20 0 CHADMN FC1(F)CCC[C@@H]1N[C@@H](Cc1ccccc1)C1CC1 ZINC000672621903 1120336871 /nfs/dbraw/zinc/33/68/71/1120336871.db2.gz NOIMQFSKQARASE-GJZGRUSLSA-N 0 1 265.347 3.785 20 0 CHADMN CC(C)c1cnc(CN2CC[C@@H](C3CCOCC3)C2)s1 ZINC000363852562 1120337339 /nfs/dbraw/zinc/33/73/39/1120337339.db2.gz CEKNIGXRVWMSFG-CQSZACIVSA-N 0 1 294.464 3.515 20 0 CHADMN Clc1ccc([C@@H]2CCN2C[C@H]2CCCCO2)cc1 ZINC000511565519 1120347492 /nfs/dbraw/zinc/34/74/92/1120347492.db2.gz SZMXRUUGJNWSCO-CABCVRRESA-N 0 1 265.784 3.656 20 0 CHADMN Oc1ccc([C@H]2CCCN2Cc2cc(C3CC3)no2)cc1 ZINC000660036072 1120348976 /nfs/dbraw/zinc/34/89/76/1120348976.db2.gz IFZFSRGLQHOHRE-QGZVFWFLSA-N 0 1 284.359 3.595 20 0 CHADMN CCc1n[nH]c(S[C@H](CC)c2ccc(F)cc2F)n1 ZINC000077927812 1120356541 /nfs/dbraw/zinc/35/65/41/1120356541.db2.gz WKMSNOBULXLEGG-LLVKDONJSA-N 0 1 283.347 3.889 20 0 CHADMN CCc1nc(S[C@H](CC)c2ccc(F)cc2F)n[nH]1 ZINC000077927812 1120356538 /nfs/dbraw/zinc/35/65/38/1120356538.db2.gz WKMSNOBULXLEGG-LLVKDONJSA-N 0 1 283.347 3.889 20 0 CHADMN CCOC(CN(CC)Cc1ccc(Cl)s1)OCC ZINC000184931307 1120366339 /nfs/dbraw/zinc/36/63/39/1120366339.db2.gz GLHTVHXFQLHJAY-UHFFFAOYSA-N 0 1 291.844 3.623 20 0 CHADMN CC[C@H](NC[C@H](O)c1cccc(Cl)c1)c1nccs1 ZINC000185118294 1120370861 /nfs/dbraw/zinc/37/08/61/1120370861.db2.gz BZWXRMWCKFNZPQ-STQMWFEESA-N 0 1 296.823 3.571 20 0 CHADMN Nc1ccc2c(c1)CC[C@H]2NCc1ccsc1Cl ZINC000312747611 1120373977 /nfs/dbraw/zinc/37/39/77/1120373977.db2.gz BKKMNGSKLFYGMQ-CYBMUJFWSA-N 0 1 278.808 3.761 20 0 CHADMN CN(Cc1occc1Br)C[C@@H]1CC1(C)C ZINC001143128378 1120403669 /nfs/dbraw/zinc/40/36/69/1120403669.db2.gz PVEMXQLDTNJQDS-VIFPVBQESA-N 0 1 272.186 3.520 20 0 CHADMN COCC1(CNCc2nc(C(C)(C)C)co2)CCCCC1 ZINC000922140685 1120382803 /nfs/dbraw/zinc/38/28/03/1120382803.db2.gz LYZMFTWFUSPQKE-UHFFFAOYSA-N 0 1 294.439 3.659 20 0 CHADMN C[C@H](Sc1nc(N)cc(N)n1)c1cccc2ccccc21 ZINC000066408997 1120390975 /nfs/dbraw/zinc/39/09/75/1120390975.db2.gz NCCFZDXAJKQTIS-JTQLQIEISA-N 0 1 296.399 3.648 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)c(F)c1 ZINC000388179359 1120391646 /nfs/dbraw/zinc/39/16/46/1120391646.db2.gz LKAORHIPCCWWII-HNNXBMFYSA-N 0 1 299.345 3.513 20 0 CHADMN CC(C)[C@@H]1C[C@H](CNCc2nc(C(C)(C)C)co2)CCO1 ZINC000922158932 1120395837 /nfs/dbraw/zinc/39/58/37/1120395837.db2.gz NRSARMXLVYWYPK-KGLIPLIRSA-N 0 1 294.439 3.513 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1ccc2ncccc2c1 ZINC000078679901 1120399783 /nfs/dbraw/zinc/39/97/83/1120399783.db2.gz GJOAUXAKIWNJGP-NSHDSACASA-N 0 1 281.359 3.690 20 0 CHADMN Fc1ccc([C@@H]2CN([C@@H]3CCc4ccccc43)CCO2)cc1 ZINC000681668657 1120403867 /nfs/dbraw/zinc/40/38/67/1120403867.db2.gz SDUJZYIQUDFWHT-MOPGFXCFSA-N 0 1 297.373 3.887 20 0 CHADMN CC(C)Oc1cccc(N[C@@H]2CCCc3[nH]ncc32)c1 ZINC000453301172 1120405373 /nfs/dbraw/zinc/40/53/73/1120405373.db2.gz WTDPBIZNNDEEDS-OAHLLOKOSA-N 0 1 271.364 3.686 20 0 CHADMN COc1ccc(C[N@@H+](C)[C@@H](C)c2cnc(C)nc2C)cc1C ZINC000682074335 1120406869 /nfs/dbraw/zinc/40/68/69/1120406869.db2.gz PNSSZZRABDJFAP-AWEZNQCLSA-N 0 1 299.418 3.603 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2cnc(C)nc2C)cc1C ZINC000682074335 1120406870 /nfs/dbraw/zinc/40/68/70/1120406870.db2.gz PNSSZZRABDJFAP-AWEZNQCLSA-N 0 1 299.418 3.603 20 0 CHADMN Fc1cc(CN2CCC3(CC3)CC2)ccc1Cl ZINC000682368092 1120414204 /nfs/dbraw/zinc/41/42/04/1120414204.db2.gz DFJQTKHJPVWNIB-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN CCc1nc(CN(C)C[C@H](C)c2ccccc2)cs1 ZINC000066853706 1120415201 /nfs/dbraw/zinc/41/52/01/1120415201.db2.gz FKBYDGHVWGCBHJ-ZDUSSCGKSA-N 0 1 274.433 3.941 20 0 CHADMN CCc1nocc1CN[C@@H](CC)c1ccc(C)cc1 ZINC000660174600 1120415538 /nfs/dbraw/zinc/41/55/38/1120415538.db2.gz HOWACLIRIUYGQK-HNNXBMFYSA-N 0 1 258.365 3.786 20 0 CHADMN COc1ccc2nc(SCCOC3CCCC3)[nH]c2c1 ZINC000431930719 1120416214 /nfs/dbraw/zinc/41/62/14/1120416214.db2.gz JGVLIHOJXZQHFT-UHFFFAOYSA-N 0 1 292.404 3.623 20 0 CHADMN CCc1nocc1CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000660178132 1120418636 /nfs/dbraw/zinc/41/86/36/1120418636.db2.gz JKCSEVZOFDWWPZ-JTQLQIEISA-N 0 1 296.317 3.689 20 0 CHADMN C[C@@H]1CCC[C@@H](NCc2nccc(C(F)(F)F)n2)CC1 ZINC000641763249 1120425443 /nfs/dbraw/zinc/42/54/43/1120425443.db2.gz WUPJQZCOAGITOS-GHMZBOCLSA-N 0 1 287.329 3.554 20 0 CHADMN CC[C@@H](N[C@H](C)[C@@H]1C[C@H]1c1cccs1)C(F)F ZINC000417347077 1120430586 /nfs/dbraw/zinc/43/05/86/1120430586.db2.gz GJLRAIVSDAUESP-LMLFDSFASA-N 0 1 259.365 3.873 20 0 CHADMN CC1(C)Cc2occc2[C@@H](NCc2cnc3n2CCCC3)C1 ZINC000367439278 1120430655 /nfs/dbraw/zinc/43/06/55/1120430655.db2.gz SRZTUIMFPZCEKX-HNNXBMFYSA-N 0 1 299.418 3.616 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cc(C)ccn2)cc1 ZINC000683000857 1120433429 /nfs/dbraw/zinc/43/34/29/1120433429.db2.gz HMCNZNBHTVRLEP-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN Cc1c2ccccc2oc1[C@H](C)NCc1cnc2n1CCC2 ZINC000657314711 1120435543 /nfs/dbraw/zinc/43/55/43/1120435543.db2.gz BEZKJDCVYWXNSB-ZDUSSCGKSA-N 0 1 295.386 3.735 20 0 CHADMN C[C@@H](N(C)Cc1nc(C2CC2)cs1)C(C)(C)C ZINC000543131589 1120438917 /nfs/dbraw/zinc/43/89/17/1120438917.db2.gz QRDFLVHMWVMHNX-SNVBAGLBSA-N 0 1 252.427 3.887 20 0 CHADMN Cc1c([C@@H](C)N[C@@H]2COCc3ccccc32)cnn1C(C)C ZINC000417371716 1120440175 /nfs/dbraw/zinc/44/01/75/1120440175.db2.gz VVWPXPPLUKOMPE-FZKQIMNGSA-N 0 1 299.418 3.695 20 0 CHADMN CCN1C(=O)N=NC1S[C@@H](C)c1ccc(C(C)C)cc1 ZINC000543142200 1120442438 /nfs/dbraw/zinc/44/24/38/1120442438.db2.gz DQPVHPDXIOSACG-NSHDSACASA-N 0 1 291.420 3.980 20 0 CHADMN CCOC(CN1CCC[C@H]1c1ccc(F)c(F)c1)OCC ZINC000364112419 1120444644 /nfs/dbraw/zinc/44/46/44/1120444644.db2.gz WQOBJRDHEUFHML-HNNXBMFYSA-N 0 1 299.361 3.501 20 0 CHADMN CC[C@H](CC(F)F)CN1CCO[C@H](Cc2ccccc2)C1 ZINC000660215250 1120447251 /nfs/dbraw/zinc/44/72/51/1120447251.db2.gz OQZHQFOJYMHHNH-GDBMZVCRSA-N 0 1 297.389 3.611 20 0 CHADMN CSc1cccc(NC(=O)c2c(O)cccc2F)c1 ZINC000119143310 1120450720 /nfs/dbraw/zinc/45/07/20/1120450720.db2.gz FKYYNBYDFUHMFJ-UHFFFAOYSA-N 0 1 277.320 3.506 20 0 CHADMN Cc1nc(CN2CCC[C@@H](c3ccc(F)cc3)CC2)co1 ZINC000660226657 1120452986 /nfs/dbraw/zinc/45/29/86/1120452986.db2.gz XSPYIXSRGMPTMK-CQSZACIVSA-N 0 1 288.366 3.892 20 0 CHADMN CC1(C)CCC(C)(C)N(C(=O)c2cccc3n[nH]cc32)C1 ZINC000628532089 1120454076 /nfs/dbraw/zinc/45/40/76/1120454076.db2.gz WKBDCBADMUVJBL-UHFFFAOYSA-N 0 1 285.391 3.604 20 0 CHADMN CCN(Cc1ncc(-c2cccs2)o1)C(C)C ZINC000109131547 1120454521 /nfs/dbraw/zinc/45/45/21/1120454521.db2.gz OFIRCRAPBOSQSJ-UHFFFAOYSA-N 0 1 250.367 3.633 20 0 CHADMN Cn1cccc1[C@@H]1CCC[N@H+]1CCc1cccc(F)c1F ZINC000543208533 1120464117 /nfs/dbraw/zinc/46/41/17/1120464117.db2.gz GOQHAYJJLPNKQC-INIZCTEOSA-N 0 1 290.357 3.683 20 0 CHADMN CCCOc1cc(C)ccc1CN[C@@H](C)c1cncnc1C ZINC000584850619 1120466810 /nfs/dbraw/zinc/46/68/10/1120466810.db2.gz PPJHARDSMHRFSC-AWEZNQCLSA-N 0 1 299.418 3.733 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCc3ccccc3CC2)n1 ZINC000116300901 1120467561 /nfs/dbraw/zinc/46/75/61/1120467561.db2.gz SJFJJFLRANIBNG-CQSZACIVSA-N 0 1 299.418 3.574 20 0 CHADMN Fc1ccccc1-c1noc(CN2CCCCCCC2)n1 ZINC000188935692 1120468979 /nfs/dbraw/zinc/46/89/79/1120468979.db2.gz NYRJMGFSTLXLHH-UHFFFAOYSA-N 0 1 289.354 3.642 20 0 CHADMN Cc1nc2cc(N[C@@H](C)CCCC(C)(C)O)ccc2[nH]1 ZINC001168712884 1120470201 /nfs/dbraw/zinc/47/02/01/1120470201.db2.gz VIDKSBRFTGHLKD-NSHDSACASA-N 0 1 275.396 3.613 20 0 CHADMN CO[C@H](CNC1(c2nc(C)cs2)CCC1)C1CCCC1 ZINC000660261860 1120470835 /nfs/dbraw/zinc/47/08/35/1120470835.db2.gz BMJHBNQSJOXQQW-CQSZACIVSA-N 0 1 294.464 3.626 20 0 CHADMN CCc1cccc(NC(=O)c2ccc(O)c(Cl)c2)c1 ZINC000019840225 1120471798 /nfs/dbraw/zinc/47/17/98/1120471798.db2.gz SEVQFCGRHOTWOQ-UHFFFAOYSA-N 0 1 275.735 3.860 20 0 CHADMN CCc1nc([C@H](C)NC[C@@H](OC)C2CCCCC2)cs1 ZINC000660267446 1120474018 /nfs/dbraw/zinc/47/40/18/1120474018.db2.gz NQOUDOYTXTWYFK-SWLSCSKDSA-N 0 1 296.480 3.951 20 0 CHADMN Cc1ccc2nc(CN[C@@H]3CCc4ccc(F)cc43)[nH]c2c1 ZINC000479402096 1120475385 /nfs/dbraw/zinc/47/53/85/1120475385.db2.gz KHHPWMZVYUCROJ-OAHLLOKOSA-N 0 1 295.361 3.788 20 0 CHADMN CCc1[nH]nc(Cl)c1CN[C@H]1CCc2ccc(C)cc21 ZINC000922219158 1120475921 /nfs/dbraw/zinc/47/59/21/1120475921.db2.gz RBODIXYBVANYOZ-HNNXBMFYSA-N 0 1 289.810 3.711 20 0 CHADMN CO[C@@H]1CCC[C@H]1Sc1nc2ccc(Cl)cc2[nH]1 ZINC000543265988 1120476982 /nfs/dbraw/zinc/47/69/82/1120476982.db2.gz DCDRQYCOQGOJFK-VXGBXAGGSA-N 0 1 282.796 3.876 20 0 CHADMN Cc1cnc(Cl)c(CNC[C@@H]2CCC3(CCCC3)O2)c1 ZINC000922226660 1120478146 /nfs/dbraw/zinc/47/81/46/1120478146.db2.gz MJITWVJYDNSQBB-AWEZNQCLSA-N 0 1 294.826 3.625 20 0 CHADMN C[C@H]1C[N@H+]([C@H]2Cc3cccc(Cl)c3C2)CCC1(F)F ZINC001168714887 1120478655 /nfs/dbraw/zinc/47/86/55/1120478655.db2.gz DRZUQXBXPUKHBN-JQWIXIFHSA-N 0 1 285.765 3.784 20 0 CHADMN Cc1cc(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)no1 ZINC000282343981 1120482041 /nfs/dbraw/zinc/48/20/41/1120482041.db2.gz CCPDEWSGEVFHDV-VBUUOAMHSA-N 0 1 282.387 3.894 20 0 CHADMN c1cc(CN2CCC[C@H]2c2cccc3ccccc32)n[nH]1 ZINC000092477594 1128919861 /nfs/dbraw/zinc/91/98/61/1128919861.db2.gz JFWCABYKDZIFNO-SFHVURJKSA-N 0 1 277.371 3.900 20 0 CHADMN COc1ccccc1[C@H](C)NCc1ccc(F)cc1 ZINC000019943602 1120497553 /nfs/dbraw/zinc/49/75/53/1120497553.db2.gz QLZOTYUPJANCTP-LBPRGKRZSA-N 0 1 259.324 3.685 20 0 CHADMN CCc1[nH]nc(Cl)c1CNCc1csc(C)c1C ZINC000922304091 1120503839 /nfs/dbraw/zinc/50/38/39/1120503839.db2.gz ZRAJSBDKBQKRKK-UHFFFAOYSA-N 0 1 283.828 3.594 20 0 CHADMN Cc1nc(CN2CCC(C)(C(C)C)CC2)c(C)o1 ZINC000660326737 1120505249 /nfs/dbraw/zinc/50/52/49/1120505249.db2.gz AIMQVXYBSQZQSK-UHFFFAOYSA-N 0 1 250.386 3.550 20 0 CHADMN Clc1ccnc2c1CC[C@@H]2N[C@H](c1cccnc1)C1CC1 ZINC000925642362 1120506337 /nfs/dbraw/zinc/50/63/37/1120506337.db2.gz GINLJZZICFOOGS-HOTGVXAUSA-N 0 1 299.805 3.858 20 0 CHADMN Cc1cscc1C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000086238090 1120508919 /nfs/dbraw/zinc/50/89/19/1120508919.db2.gz VSITVBIRVSSWNY-UHFFFAOYSA-N 0 1 292.379 3.510 20 0 CHADMN CC(C)(C)c1coc(CNC2(CO)CCCCCCC2)n1 ZINC000922317595 1120509975 /nfs/dbraw/zinc/50/99/75/1120509975.db2.gz HTVUOAQYCNHKGQ-UHFFFAOYSA-N 0 1 294.439 3.537 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](c2ccccc2)C2CC2)nn1C ZINC000282350724 1120512061 /nfs/dbraw/zinc/51/20/61/1120512061.db2.gz VSJMJCSJRGCSSP-DYVFJYSZSA-N 0 1 269.392 3.530 20 0 CHADMN C[C@H](CN(C)Cc1cc[nH]n1)c1ccc(C(F)(F)F)cc1 ZINC000500130560 1120516870 /nfs/dbraw/zinc/51/68/70/1120516870.db2.gz TYQLRNACNLRDIX-LLVKDONJSA-N 0 1 297.324 3.664 20 0 CHADMN CC1(CN[C@@H](c2ccc(F)cc2)c2cnccn2)CCCC1 ZINC000543423250 1120519318 /nfs/dbraw/zinc/51/93/18/1120519318.db2.gz OUCKRTMTVFVVJK-KRWDZBQOSA-N 0 1 299.393 3.875 20 0 CHADMN C[C@@H](NCc1cncs1)c1ccc(C2CC2)cc1 ZINC000418115607 1120519332 /nfs/dbraw/zinc/51/93/32/1120519332.db2.gz PMAQXSVJGGLEFN-LLVKDONJSA-N 0 1 258.390 3.871 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccc(C3CC3)cc2)n1 ZINC000418111886 1120521003 /nfs/dbraw/zinc/52/10/03/1120521003.db2.gz FYQWJRGVDURQFC-ZDUSSCGKSA-N 0 1 282.387 3.818 20 0 CHADMN CCC[C@H]1CCCN(CC(=O)Nc2ccccc2CC)C1 ZINC000466485779 1120523410 /nfs/dbraw/zinc/52/34/10/1120523410.db2.gz AABLBACTZDTOJE-HNNXBMFYSA-N 0 1 288.435 3.700 20 0 CHADMN Cc1cncc([C@H](C)NCc2ccc3ccccc3n2)c1 ZINC000343861758 1120526779 /nfs/dbraw/zinc/52/67/79/1120526779.db2.gz MSSJOUBPCPMLBS-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(O)c(Cl)c1 ZINC000019838815 1120529829 /nfs/dbraw/zinc/52/98/29/1120529829.db2.gz CQSLXCJXVYJLQR-JTQLQIEISA-N 0 1 287.746 3.637 20 0 CHADMN Cc1cccc(CN(C)[C@H](C)c2ccc(F)nc2)c1 ZINC000929299129 1120532971 /nfs/dbraw/zinc/53/29/71/1120532971.db2.gz XQIXMTLUOMYKSF-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN c1cc(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)no1 ZINC000282358838 1120534070 /nfs/dbraw/zinc/53/40/70/1120534070.db2.gz DABPBSPRTODGBA-ACHSLPGTSA-N 0 1 268.360 3.585 20 0 CHADMN CCN(Cc1sc2ccccc2c1Cl)[C@H](C)CO ZINC000428851991 1120538308 /nfs/dbraw/zinc/53/83/08/1120538308.db2.gz SFLXMGIHPPCCEV-SNVBAGLBSA-N 0 1 283.824 3.757 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccc1)c1nc2ccccc2n1C ZINC000019878653 1120542579 /nfs/dbraw/zinc/54/25/79/1120542579.db2.gz WXSSEEWUJPITGM-ZIAGYGMSSA-N 0 1 279.387 3.985 20 0 CHADMN CCCc1ccc([C@@H](C)NCc2cc(CC)n[nH]2)cc1 ZINC000765991034 1120545825 /nfs/dbraw/zinc/54/58/25/1120545825.db2.gz AFGUHDLIAJXXMQ-CYBMUJFWSA-N 0 1 271.408 3.775 20 0 CHADMN CCCCC[C@@H](C)NC(=O)c1ccc(O)c(Cl)c1 ZINC000025346242 1120548493 /nfs/dbraw/zinc/54/84/93/1120548493.db2.gz PZXOGTVQGWEHAM-SNVBAGLBSA-N 0 1 269.772 3.744 20 0 CHADMN C[C@H](NCc1ccc(F)cc1)c1ccc(F)cc1F ZINC000019943898 1120552597 /nfs/dbraw/zinc/55/25/97/1120552597.db2.gz MUQGSJOKOROPJA-JTQLQIEISA-N 0 1 265.278 3.955 20 0 CHADMN C[C@@H]1Cc2cc(CN[C@@H](c3ccccn3)C3CC3)ccc2O1 ZINC000922581632 1120555566 /nfs/dbraw/zinc/55/55/66/1120555566.db2.gz KMTWQFDWVHUNFZ-BFUOFWGJSA-N 0 1 294.398 3.646 20 0 CHADMN c1nc(C2CC2)sc1CN[C@@H](c1ccccn1)C1CC1 ZINC000922586933 1120558537 /nfs/dbraw/zinc/55/85/37/1120558537.db2.gz TXECNIVBVXJBLL-OAHLLOKOSA-N 0 1 285.416 3.656 20 0 CHADMN c1csc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000093048660 1120558848 /nfs/dbraw/zinc/55/88/48/1120558848.db2.gz CYXZJRXSZKNHSX-AWEZNQCLSA-N 0 1 287.384 3.814 20 0 CHADMN Cc1nc(C)c(CN[C@@H](C)c2ccc(OC(C)C)cc2)o1 ZINC000314441858 1120561821 /nfs/dbraw/zinc/56/18/21/1120561821.db2.gz CRGZSCOKNTVQGS-LBPRGKRZSA-N 0 1 288.391 3.929 20 0 CHADMN CC[C@@H](NCc1ccc(F)nc1)c1cc(F)ccc1OC ZINC000922621337 1120564453 /nfs/dbraw/zinc/56/44/53/1120564453.db2.gz KOLVVTDGANQNEW-CQSZACIVSA-N 0 1 292.329 3.609 20 0 CHADMN CC[C@@H](NCc1cnccc1C)c1cc(F)ccc1OC ZINC000922622829 1120564883 /nfs/dbraw/zinc/56/48/83/1120564883.db2.gz RMQLPPSBJCQEII-MRXNPFEDSA-N 0 1 288.366 3.779 20 0 CHADMN Cc1nc2cc(CNc3ncc(C)c4cc[nH]c43)ccc2o1 ZINC001167758122 1120567749 /nfs/dbraw/zinc/56/77/49/1120567749.db2.gz VBOHFZQXAPWKJE-UHFFFAOYSA-N 0 1 292.342 3.933 20 0 CHADMN CC(C)(C)CCCOc1ccccc1-c1nnc[nH]1 ZINC000499980087 1120568278 /nfs/dbraw/zinc/56/82/78/1120568278.db2.gz PYZLVZDWLWROST-UHFFFAOYSA-N 0 1 259.353 3.677 20 0 CHADMN CC(C)n1cc(CN2CCC(C)(C)CC(C)(C)C2)nn1 ZINC000661627801 1120571941 /nfs/dbraw/zinc/57/19/41/1120571941.db2.gz QWLZZDHJNRJMKR-UHFFFAOYSA-N 0 1 278.444 3.507 20 0 CHADMN CC(C)c1nnc(CN[C@H]2C[C@H]2C2CCCCC2)s1 ZINC000893356214 1120574268 /nfs/dbraw/zinc/57/42/68/1120574268.db2.gz KTNDXNALIMMVFN-STQMWFEESA-N 0 1 279.453 3.720 20 0 CHADMN CCOc1cncc(CN[C@H](C)c2ccc(F)cc2C)c1 ZINC000922667105 1120575641 /nfs/dbraw/zinc/57/56/41/1120575641.db2.gz HYVCGECHSVMCGK-CYBMUJFWSA-N 0 1 288.366 3.779 20 0 CHADMN COc1ccccc1[C@H](N[C@H]1CC[C@H]1C)c1ccccn1 ZINC000783258879 1120576032 /nfs/dbraw/zinc/57/60/32/1120576032.db2.gz ONTOOMQSNFLSBH-XUWXXGDYSA-N 0 1 282.387 3.568 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1cnn(C2CCC2)c1 ZINC000922669182 1120576897 /nfs/dbraw/zinc/57/68/97/1120576897.db2.gz JZKYTLMFIIGBBT-CYBMUJFWSA-N 0 1 287.382 3.906 20 0 CHADMN COc1ccc([C@H](C)NCc2ccccc2OC)cc1C ZINC000922672655 1120578363 /nfs/dbraw/zinc/57/83/63/1120578363.db2.gz BAXRKIYUJONNHP-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN COc1ccc(CNCc2ccc(F)cc2Cl)cc1 ZINC000020045934 1120579013 /nfs/dbraw/zinc/57/90/13/1120579013.db2.gz BGUQDRINYWXNQX-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN C[C@H]1CC(F)(F)CCN1Cc1cnc(-c2ccccc2)o1 ZINC000931256011 1120579638 /nfs/dbraw/zinc/57/96/38/1120579638.db2.gz WNNZFFZQYIYOLH-LBPRGKRZSA-N 0 1 292.329 3.961 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cccc(F)c1 ZINC000020096593 1120584111 /nfs/dbraw/zinc/58/41/11/1120584111.db2.gz CSYZJPSDVIEKQB-GFCCVEGCSA-N 0 1 259.324 3.685 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@H](CC)c1cccc(OC)n1 ZINC000925685229 1120587375 /nfs/dbraw/zinc/58/73/75/1120587375.db2.gz LCHBEIHQJWYATR-XJKSGUPXSA-N 0 1 299.418 3.850 20 0 CHADMN Cc1cnc(CNCc2ccc(OCC3CC3)cc2)c(C)c1 ZINC000922741645 1120589860 /nfs/dbraw/zinc/58/98/60/1120589860.db2.gz OSEOXKXEDQLISS-UHFFFAOYSA-N 0 1 296.414 3.777 20 0 CHADMN Cc1ccc2cc(CNCc3ncc(C)cc3C)[nH]c2c1 ZINC000922737585 1120590189 /nfs/dbraw/zinc/59/01/89/1120590189.db2.gz OJOVBKHAVCDKGK-UHFFFAOYSA-N 0 1 279.387 3.778 20 0 CHADMN CCc1cc(N[C@H]2CCCc3[nH]ncc32)ccc1F ZINC000690134990 1120598134 /nfs/dbraw/zinc/59/81/34/1120598134.db2.gz PRDURUTXKBKFLG-AWEZNQCLSA-N 0 1 259.328 3.601 20 0 CHADMN COCCC1(CN[C@H]2CCCC2(F)F)CCCCC1 ZINC000673618012 1120600468 /nfs/dbraw/zinc/60/04/68/1120600468.db2.gz OLACAPPKCRQZBA-ZDUSSCGKSA-N 0 1 275.383 3.751 20 0 CHADMN C[C@H](CF)NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000673619205 1120603400 /nfs/dbraw/zinc/60/34/00/1120603400.db2.gz QTQBUFWXPNIYEG-CYBMUJFWSA-N 0 1 291.341 3.852 20 0 CHADMN Cc1cc([C@H](C)N[C@H](c2ccccc2C)C2CC2)nn1C ZINC000282385938 1120604520 /nfs/dbraw/zinc/60/45/20/1120604520.db2.gz XFMDANIUDQVUMY-KSSFIOAISA-N 0 1 283.419 3.839 20 0 CHADMN CCC[C@H](O)CCNCc1csc(-c2ccsc2)n1 ZINC000922826479 1120605571 /nfs/dbraw/zinc/60/55/71/1120605571.db2.gz ZNSNWDSESKZQRL-ZDUSSCGKSA-N 0 1 296.461 3.512 20 0 CHADMN C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1noc2c1CCCC2 ZINC000125339905 1120605810 /nfs/dbraw/zinc/60/58/10/1120605810.db2.gz CSKROKYDTVZLEU-QWHCGFSZSA-N 0 1 262.397 3.564 20 0 CHADMN COc1ccccc1-c1ccc(CN[C@H](C)CF)cc1 ZINC000673619210 1120605853 /nfs/dbraw/zinc/60/58/53/1120605853.db2.gz QZMKYMJPUDAVSN-CYBMUJFWSA-N 0 1 273.351 3.810 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCOC[C@H](C2CCC2)C1 ZINC000428998579 1120608899 /nfs/dbraw/zinc/60/88/99/1120608899.db2.gz KLYUKQZDJVVAPV-TZMCWYRMSA-N 0 1 295.373 3.774 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](c2ccccc2)C2CCC2)nn1C ZINC000282397065 1120614235 /nfs/dbraw/zinc/61/42/35/1120614235.db2.gz XTBXZGNWSKRKOO-KSSFIOAISA-N 0 1 283.419 3.921 20 0 CHADMN CCc1ccc(CN(C)Cc2sccc2C)nc1 ZINC000338885984 1120614873 /nfs/dbraw/zinc/61/48/73/1120614873.db2.gz XRDUGGSGSDBWNX-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN C[C@@H]1Cc2cc(CN[C@@H]3CCCc4cccnc43)ccc2O1 ZINC000922877067 1120615904 /nfs/dbraw/zinc/61/59/04/1120615904.db2.gz CHWGDFFZFCOPTN-CXAGYDPISA-N 0 1 294.398 3.572 20 0 CHADMN Cc1sccc1CN[C@@H]1CCCc2cccnc21 ZINC000922878829 1120618618 /nfs/dbraw/zinc/61/86/18/1120618618.db2.gz XKIFOHNYHYJZCF-CQSZACIVSA-N 0 1 258.390 3.619 20 0 CHADMN CCc1cc(CN[C@@H](C)c2ccc3c(c2)CCCC3)[nH]n1 ZINC000766004117 1120619872 /nfs/dbraw/zinc/61/98/72/1120619872.db2.gz RZWPDOQRMPMOCX-ZDUSSCGKSA-N 0 1 283.419 3.702 20 0 CHADMN CCc1cc(CN[C@@H](C)c2cc3ccccc3o2)[nH]n1 ZINC000766004955 1120620680 /nfs/dbraw/zinc/62/06/80/1120620680.db2.gz UPVROXZKWNUZQQ-NSHDSACASA-N 0 1 269.348 3.569 20 0 CHADMN CCOCCCN1CCCC[C@H]1c1ccc(F)cc1F ZINC000432021826 1120627266 /nfs/dbraw/zinc/62/72/66/1120627266.db2.gz WHVMTNWBHVNTQD-INIZCTEOSA-N 0 1 283.362 3.918 20 0 CHADMN C[C@H]1CCCCN1Cc1coc(-c2ccccc2F)n1 ZINC000625063394 1120628144 /nfs/dbraw/zinc/62/81/44/1120628144.db2.gz NTUGVKUHLGSGBC-LBPRGKRZSA-N 0 1 274.339 3.855 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCCCOC(C)C)n2)cc1 ZINC000126053056 1120634173 /nfs/dbraw/zinc/63/41/73/1120634173.db2.gz YBYPMUWBJXBFGH-UHFFFAOYSA-N 0 1 291.420 3.687 20 0 CHADMN CC(C)(O)CNCc1c(Cl)ccc(Cl)c1Cl ZINC000096480842 1120636389 /nfs/dbraw/zinc/63/63/89/1120636389.db2.gz ZOENORKVSHFLDA-UHFFFAOYSA-N 0 1 282.598 3.507 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](c2ccc(F)cc2)C(C)C)n[nH]1 ZINC000660484573 1120637534 /nfs/dbraw/zinc/63/75/34/1120637534.db2.gz ZEOHNOQAWDBASV-IAQYHMDHSA-N 0 1 290.386 3.554 20 0 CHADMN COc1ccc([C@@H](NCc2conc2C)C2CCC2)cc1 ZINC000922889577 1120638833 /nfs/dbraw/zinc/63/88/33/1120638833.db2.gz UTTORZQQISYKIG-KRWDZBQOSA-N 0 1 286.375 3.623 20 0 CHADMN COCc1ccccc1/C=C(/C)CN1CC[C@](C)(F)C1 ZINC000509115090 1120645711 /nfs/dbraw/zinc/64/57/11/1120645711.db2.gz XTVLNWSHHHIAIV-QXSWTLKVSA-N 0 1 277.383 3.670 20 0 CHADMN FC(F)(F)[C@@H]1CCN(Cc2ccncc2)CC12CCC2 ZINC000282417538 1120647290 /nfs/dbraw/zinc/64/72/90/1120647290.db2.gz JBHWMZSZDULWFE-CYBMUJFWSA-N 0 1 284.325 3.636 20 0 CHADMN CCO[C@H](CN[C@@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000625227574 1120651838 /nfs/dbraw/zinc/65/18/38/1120651838.db2.gz HZEOJNJZJCNJQV-MOPGFXCFSA-N 0 1 296.414 3.576 20 0 CHADMN C[C@H]1CCCC[C@@H]1CCNC(=O)c1n[nH]c2ccccc21 ZINC000511823253 1120655661 /nfs/dbraw/zinc/65/56/61/1120655661.db2.gz GFGPKANSYRGLEM-QWHCGFSZSA-N 0 1 285.391 3.509 20 0 CHADMN CC(C)(C)OC1CC(N2CC=C(C(F)(F)F)CC2)C1 ZINC000360883071 1120658993 /nfs/dbraw/zinc/65/89/93/1120658993.db2.gz LRFDRDVCZAAMOY-UHFFFAOYSA-N 0 1 277.330 3.527 20 0 CHADMN CC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000511847487 1120662166 /nfs/dbraw/zinc/66/21/66/1120662166.db2.gz ZHEYNMDVGXHQTK-FZMZJTMJSA-N 0 1 287.325 3.705 20 0 CHADMN CC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000511847487 1120662168 /nfs/dbraw/zinc/66/21/68/1120662168.db2.gz ZHEYNMDVGXHQTK-FZMZJTMJSA-N 0 1 287.325 3.705 20 0 CHADMN CCCc1ccc(NC(=O)Cc2n[nH]c3ccccc23)cc1 ZINC000195173842 1120665172 /nfs/dbraw/zinc/66/51/72/1120665172.db2.gz ITHJOOFGTDUILP-UHFFFAOYSA-N 0 1 293.370 3.697 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2nc(C)no2)CC[C@@H]1c1ccccc1 ZINC000673755150 1120668726 /nfs/dbraw/zinc/66/87/26/1120668726.db2.gz UKUUYDRRFHZTCH-LXZKKBNFSA-N 0 1 299.418 3.955 20 0 CHADMN CC1=C[C@H](C)CN(Cc2coc(-c3ccccc3F)n2)C1 ZINC000625387656 1120675067 /nfs/dbraw/zinc/67/50/67/1120675067.db2.gz BUXJPGRSJNZESZ-LBPRGKRZSA-N 0 1 286.350 3.879 20 0 CHADMN Cc1ncccc1CNCc1cnc(-c2ccccc2)s1 ZINC000673811687 1120676141 /nfs/dbraw/zinc/67/61/41/1120676141.db2.gz OVCBUTUSSNUSRQ-UHFFFAOYSA-N 0 1 295.411 3.803 20 0 CHADMN C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CCCF ZINC000660710373 1120680529 /nfs/dbraw/zinc/68/05/29/1120680529.db2.gz RNEHLIBMNOHKMD-SECBINFHSA-N 0 1 269.751 3.569 20 0 CHADMN C[C@H](c1nc2cc(Cl)ccc2[nH]1)N(C)CCCF ZINC000660710373 1120680534 /nfs/dbraw/zinc/68/05/34/1120680534.db2.gz RNEHLIBMNOHKMD-SECBINFHSA-N 0 1 269.751 3.569 20 0 CHADMN C[C@H]1CN(Cc2ccccc2N(C)C)Cc2ccccc2O1 ZINC000429148946 1120680710 /nfs/dbraw/zinc/68/07/10/1120680710.db2.gz JCFAKICDBYERLE-HNNXBMFYSA-N 0 1 296.414 3.536 20 0 CHADMN CN(CCCC1CCCC1)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660765927 1120686530 /nfs/dbraw/zinc/68/65/30/1120686530.db2.gz YQKAYKLGGUJYSR-KRWDZBQOSA-N 0 1 298.434 3.796 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1cc2cnccc2o1 ZINC000651633535 1120687191 /nfs/dbraw/zinc/68/71/91/1120687191.db2.gz WJACYVZXMYMSOZ-CYBMUJFWSA-N 0 1 278.355 3.947 20 0 CHADMN c1cc(-c2ccc([C@H]3COCCN3)cc2)ccc1OC1CC1 ZINC000629755118 1128933713 /nfs/dbraw/zinc/93/37/13/1128933713.db2.gz WULQGEUAGDMERT-LJQANCHMSA-N 0 1 295.382 3.556 20 0 CHADMN Cc1nc(CN2CCC[C@@]2(C)Cc2ccccc2F)co1 ZINC000660901452 1120698607 /nfs/dbraw/zinc/69/86/07/1120698607.db2.gz XICQITXCFWFNAU-KRWDZBQOSA-N 0 1 288.366 3.719 20 0 CHADMN COc1cccc(CN2CCC[C@@H](OC(C)C)C2)c1Cl ZINC000660913041 1120699242 /nfs/dbraw/zinc/69/92/42/1120699242.db2.gz RAOCZAAXPPEETA-CQSZACIVSA-N 0 1 297.826 3.738 20 0 CHADMN Oc1ccc(Cl)c(CN2CCC[C@@H](CCF)C2)c1 ZINC000625538747 1120699464 /nfs/dbraw/zinc/69/94/64/1120699464.db2.gz PCRCYINLJZPWFU-NSHDSACASA-N 0 1 271.763 3.617 20 0 CHADMN Cc1nc(C)c(CN2CC(c3ccc(Cl)cc3)C2)o1 ZINC000628299906 1120705537 /nfs/dbraw/zinc/70/55/37/1120705537.db2.gz FSQOYEODNOKKOT-UHFFFAOYSA-N 0 1 276.767 3.544 20 0 CHADMN COC[C@@H](CC(C)(C)C)N[C@@H](C)c1csc(C)n1 ZINC000651702001 1120715562 /nfs/dbraw/zinc/71/55/62/1120715562.db2.gz HMTUJNKRAAKQQS-CMPLNLGQSA-N 0 1 270.442 3.553 20 0 CHADMN CC[C@H](C)N(CC)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000661107746 1120717789 /nfs/dbraw/zinc/71/77/89/1120717789.db2.gz NFYPFHBOVOUEDU-JTQLQIEISA-N 0 1 295.333 3.635 20 0 CHADMN CC[C@@H](C)N(CC)Cc1nc(-c2cccc(C)c2)no1 ZINC000661105384 1120719095 /nfs/dbraw/zinc/71/90/95/1120719095.db2.gz GKEAFQZQRFFCES-CYBMUJFWSA-N 0 1 273.380 3.665 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1c(C)cc(C(C)(C)C)cc1C ZINC000044621149 1120725348 /nfs/dbraw/zinc/72/53/48/1120725348.db2.gz XWJBAEQIZUIQSR-MRXNPFEDSA-N 0 1 291.435 3.896 20 0 CHADMN COc1ccc(CN(Cc2ccsc2)C(C)(C)C)nc1 ZINC000661136841 1120725366 /nfs/dbraw/zinc/72/53/66/1120725366.db2.gz WWDBRNQHPYHVLR-UHFFFAOYSA-N 0 1 290.432 3.952 20 0 CHADMN Cc1nc(CN2CCC[C@H]2c2c(C)cccc2C)co1 ZINC000661137977 1120726756 /nfs/dbraw/zinc/72/67/56/1120726756.db2.gz VHLHLRIEFJARDW-INIZCTEOSA-N 0 1 270.376 3.937 20 0 CHADMN CC(C)[C@H](C)NC(=O)CN(Cc1ccsc1)C(C)(C)C ZINC000661137485 1120727049 /nfs/dbraw/zinc/72/70/49/1120727049.db2.gz QAFJYTOEEHPEAX-ZDUSSCGKSA-N 0 1 296.480 3.509 20 0 CHADMN Cc1nc2ccccn2c1CN1CCC(c2ccco2)CC1 ZINC000661162087 1120730801 /nfs/dbraw/zinc/73/08/01/1120730801.db2.gz GBWAUZDSFJQODT-UHFFFAOYSA-N 0 1 295.386 3.615 20 0 CHADMN C[C@]1(C2CC2)CN(Cc2ccc(C(F)F)cc2)CCO1 ZINC000661167841 1120730835 /nfs/dbraw/zinc/73/08/35/1120730835.db2.gz KLFXKXBZMOGUKB-MRXNPFEDSA-N 0 1 281.346 3.625 20 0 CHADMN c1c2cnccc2oc1C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000651766303 1120740288 /nfs/dbraw/zinc/74/02/88/1120740288.db2.gz CADMULGXRYWMKQ-UHFFFAOYSA-N 0 1 290.366 3.875 20 0 CHADMN c1c2cnccc2oc1CN1Cc2ccccc2C2(CC2)C1 ZINC000651766303 1120740291 /nfs/dbraw/zinc/74/02/91/1120740291.db2.gz CADMULGXRYWMKQ-UHFFFAOYSA-N 0 1 290.366 3.875 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1cc3cnccc3o1)C2 ZINC000651784884 1120743394 /nfs/dbraw/zinc/74/33/94/1120743394.db2.gz HLQFWJBKRXRECO-UHFFFAOYSA-N 0 1 278.355 3.695 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cc2cnccc2o1 ZINC000651790406 1120746071 /nfs/dbraw/zinc/74/60/71/1120746071.db2.gz WIHZLCZIOKHDJG-CABZTGNLSA-N 0 1 284.281 3.601 20 0 CHADMN CC(C)c1ccc2c(c1)CN(Cc1ccccn1)CC2 ZINC000661373168 1120758324 /nfs/dbraw/zinc/75/83/24/1120758324.db2.gz ITHHONYJPIOYFQ-UHFFFAOYSA-N 0 1 266.388 3.763 20 0 CHADMN CCCOc1ccc2c(c1)CCN(Cc1ncccc1C)C2 ZINC000093203339 1128938765 /nfs/dbraw/zinc/93/87/65/1128938765.db2.gz UZGWGCCWHHFFKD-UHFFFAOYSA-N 0 1 296.414 3.737 20 0 CHADMN Cn1ccc(CNC2(c3ccccc3Cl)CCC2)c1 ZINC000651861140 1120766495 /nfs/dbraw/zinc/76/64/95/1120766495.db2.gz HLOODDIHNUFWNR-UHFFFAOYSA-N 0 1 274.795 3.848 20 0 CHADMN CC(C)OCCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661438894 1120767585 /nfs/dbraw/zinc/76/75/85/1120767585.db2.gz VYKQWXQCFBDZFF-OAHLLOKOSA-N 0 1 263.381 3.622 20 0 CHADMN Cn1c2cc(Cl)ccc2nc1CN1CCC12CCCC2 ZINC000651873630 1120768411 /nfs/dbraw/zinc/76/84/11/1120768411.db2.gz OVXFFEVWFPGSEE-UHFFFAOYSA-N 0 1 289.810 3.745 20 0 CHADMN COc1cc(CN[C@H](c2ccccc2F)C(C)C)ccn1 ZINC000661483687 1120770055 /nfs/dbraw/zinc/77/00/55/1120770055.db2.gz HZSYTKKJDRZDAS-KRWDZBQOSA-N 0 1 288.366 3.716 20 0 CHADMN CSc1ccc(N(C)C(=O)c2cccc(F)c2O)cc1 ZINC001126091653 1120771717 /nfs/dbraw/zinc/77/17/17/1120771717.db2.gz TUXPJFIUFKXPLI-UHFFFAOYSA-N 0 1 291.347 3.530 20 0 CHADMN C/C=C\C[C@@H]1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000629873912 1128939851 /nfs/dbraw/zinc/93/98/51/1128939851.db2.gz RRBHFNSYXBVXFH-GEXIGZQTSA-N 0 1 289.423 3.660 20 0 CHADMN CCN(Cc1cnc(C2CCCC2)s1)[C@@H]1CCCOC1 ZINC000651948466 1120789635 /nfs/dbraw/zinc/78/96/35/1120789635.db2.gz MNCWOZPGCYGFCL-CQSZACIVSA-N 0 1 294.464 3.802 20 0 CHADMN CC1(C)C[C@H](NCC2(F)CC2)c2cc(F)ccc2O1 ZINC000651949444 1120790332 /nfs/dbraw/zinc/79/03/32/1120790332.db2.gz LONFHGPGEZUVAK-LBPRGKRZSA-N 0 1 267.319 3.520 20 0 CHADMN FCC[C@@H]1CCCN(Cc2cc(-c3cccs3)on2)C1 ZINC000661695994 1120795738 /nfs/dbraw/zinc/79/57/38/1120795738.db2.gz WBZVFKFCCFODNI-LBPRGKRZSA-N 0 1 294.395 3.975 20 0 CHADMN FCC[C@@H]1CCCN(Cc2cc(-c3ccco3)on2)C1 ZINC000661694882 1120796260 /nfs/dbraw/zinc/79/62/60/1120796260.db2.gz JTEDCTRGDMMGMG-LBPRGKRZSA-N 0 1 278.327 3.506 20 0 CHADMN Cc1cc(CN(C)CCc2cccc3ccccc32)nn1C ZINC000487359916 1120800608 /nfs/dbraw/zinc/80/06/08/1120800608.db2.gz FBELJDMZAYRFHU-UHFFFAOYSA-N 0 1 293.414 3.556 20 0 CHADMN Cc1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)cc1C ZINC000048244251 1120805916 /nfs/dbraw/zinc/80/59/16/1120805916.db2.gz SIMVGDIYRATQFE-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1cccc(CN(Cc2ccccc2F)CC2CC2)n1 ZINC000661791029 1120814611 /nfs/dbraw/zinc/81/46/11/1120814611.db2.gz AHCDKVGHHDMPMR-UHFFFAOYSA-N 0 1 284.378 3.941 20 0 CHADMN CSc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1 ZINC000335944550 1120816085 /nfs/dbraw/zinc/81/60/85/1120816085.db2.gz QIELTHPRIJTVEQ-ZDUSSCGKSA-N 0 1 259.378 3.621 20 0 CHADMN Cc1c(Cl)cccc1N1N=C2CCCC[C@@H]2C1=O ZINC000629942705 1128942775 /nfs/dbraw/zinc/94/27/75/1128942775.db2.gz PHSHGRLUHJEHIM-JTQLQIEISA-N 0 1 262.740 3.541 20 0 CHADMN Cc1c(Cl)cccc1-n1[nH]c2c(c1=O)CCCC2 ZINC000629942705 1128942777 /nfs/dbraw/zinc/94/27/77/1128942777.db2.gz PHSHGRLUHJEHIM-JTQLQIEISA-N 0 1 262.740 3.541 20 0 CHADMN Cc1nc(CN2CCC([C@H]3CCCCO3)CC2)sc1C ZINC000661862784 1120826212 /nfs/dbraw/zinc/82/62/12/1120826212.db2.gz KBXTUZILSUQPIC-OAHLLOKOSA-N 0 1 294.464 3.541 20 0 CHADMN CC(C)C1CCC(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])CC1 ZINC000313980226 1120833846 /nfs/dbraw/zinc/83/38/46/1120833846.db2.gz MJDLNLVJKCSJKY-IRKLFDGPSA-N 0 1 293.451 3.634 20 0 CHADMN Cc1cc(C)c(CN2CCC[C@H]2C(=O)OC(C)C)c(C)c1 ZINC001167784828 1120837739 /nfs/dbraw/zinc/83/77/39/1120837739.db2.gz LTMPGYINPPHBIQ-KRWDZBQOSA-N 0 1 289.419 3.528 20 0 CHADMN C[C@@H]1CCC[C@H](C)N(Cc2cccc(Br)n2)C1 ZINC000779437667 1128943865 /nfs/dbraw/zinc/94/38/65/1128943865.db2.gz UHCNIILCGLAOLS-NEPJUHHUSA-N 0 1 297.240 3.855 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000652373986 1120845871 /nfs/dbraw/zinc/84/58/71/1120845871.db2.gz FWZBESDFRBECJF-GFCCVEGCSA-N 0 1 290.190 3.679 20 0 CHADMN CCC(CC)[C@@H](O)CNCc1csc(Cl)c1Cl ZINC000432253964 1120846427 /nfs/dbraw/zinc/84/64/27/1120846427.db2.gz QIFCGLRHMUTRJY-JTQLQIEISA-N 0 1 296.263 3.942 20 0 CHADMN FC(F)(F)c1cccc(CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661970613 1120849525 /nfs/dbraw/zinc/84/95/25/1120849525.db2.gz GAFWTTYCFBMDPM-VXGBXAGGSA-N 0 1 255.283 3.547 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc(C2CC2)no1)C1CCC(F)CC1 ZINC000661999240 1120854812 /nfs/dbraw/zinc/85/48/12/1120854812.db2.gz DYNGIPSZSZRWNC-CFGSLIKFSA-N 0 1 281.375 3.514 20 0 CHADMN C[C@@H](NCc1ncc(C2CC2)o1)C1CCC(F)CC1 ZINC000662001147 1120856039 /nfs/dbraw/zinc/85/60/39/1120856039.db2.gz LJRVISSGHWMDAD-XSRFYTQQSA-N 0 1 266.360 3.558 20 0 CHADMN C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2Cl)CC[C@@H]1C ZINC000652418357 1120859425 /nfs/dbraw/zinc/85/94/25/1120859425.db2.gz HXNOZHBCZGBUNH-QWRGUYRKSA-N 0 1 281.783 3.516 20 0 CHADMN Cc1ccc(C)c(-c2cccc([C@@H]3COCCN3)c2)c1 ZINC000630050584 1128945216 /nfs/dbraw/zinc/94/52/16/1128945216.db2.gz CRCPIBDNOTTXNS-SFHVURJKSA-N 0 1 267.372 3.631 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCCC[C@@H]1CC(C)C ZINC000652425815 1120860205 /nfs/dbraw/zinc/86/02/05/1120860205.db2.gz PDHFSWWKEFETLU-CQSZACIVSA-N 0 1 293.407 3.941 20 0 CHADMN CC(C)c1noc([C@H](C)N2CCC[C@H](C3CCC3)C2)n1 ZINC000662041168 1120863387 /nfs/dbraw/zinc/86/33/87/1120863387.db2.gz YNUNSZQYEOXODS-JSGCOSHPSA-N 0 1 277.412 3.766 20 0 CHADMN Clc1ccc(CN2CCC[C@H](C3CCC3)C2)nc1 ZINC000662044243 1120863539 /nfs/dbraw/zinc/86/35/39/1120863539.db2.gz PBVGVQQDHSQEOR-ZDUSSCGKSA-N 0 1 264.800 3.747 20 0 CHADMN FC(F)c1cccc(CN2CCC(c3ccon3)CC2)c1 ZINC000662047948 1120864320 /nfs/dbraw/zinc/86/43/20/1120864320.db2.gz MYDAPGXFOQCRRC-UHFFFAOYSA-N 0 1 292.329 3.992 20 0 CHADMN OC[C@@H](N[C@@H]1C=CCCC1)c1cccc(Cl)c1Cl ZINC000662049658 1120865433 /nfs/dbraw/zinc/86/54/33/1120865433.db2.gz BHUUDRJTBXFAHF-ZWNOBZJWSA-N 0 1 286.202 3.725 20 0 CHADMN COc1ccc2nc(-c3c(F)cccc3F)[nH]c2c1 ZINC000086576724 1120866770 /nfs/dbraw/zinc/86/67/70/1120866770.db2.gz OXHSMNYTGPUOCU-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN CC1CCC(C[N@@H+](CC(=O)[O-])Cc2ccc(F)cc2)CC1 ZINC000652471549 1120869162 /nfs/dbraw/zinc/86/91/62/1120869162.db2.gz SFHQDQPQHDHIBZ-UHFFFAOYSA-N 0 1 293.382 3.539 20 0 CHADMN C[C@H](c1ccc(Cl)cc1Cl)N1CCC2(COC2)C1 ZINC000662075575 1120870248 /nfs/dbraw/zinc/87/02/48/1120870248.db2.gz DOKJAYSQDFSYNM-SNVBAGLBSA-N 0 1 286.202 3.777 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1Cl)N1CCC2(COC2)C1 ZINC000662075574 1120870698 /nfs/dbraw/zinc/87/06/98/1120870698.db2.gz DOKJAYSQDFSYNM-JTQLQIEISA-N 0 1 286.202 3.777 20 0 CHADMN CC[C@H](c1ccccc1)N(Cc1cc[nH]n1)C(C)C ZINC000662108513 1120878279 /nfs/dbraw/zinc/87/82/79/1120878279.db2.gz ZYBUJTOMPPXUOG-MRXNPFEDSA-N 0 1 257.381 3.771 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1nccn1Cc1ccccc1 ZINC000662131162 1120883458 /nfs/dbraw/zinc/88/34/58/1120883458.db2.gz LQZAZWYVPDMMRP-ZNXRZULTSA-N 0 1 295.430 3.694 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCC34CCCC4)n[nH]2)cc1 ZINC000652581964 1120890776 /nfs/dbraw/zinc/89/07/76/1120890776.db2.gz WYQWTRXEOSOTIL-UHFFFAOYSA-N 0 1 295.386 3.544 20 0 CHADMN CC(=O)c1cc(CN2CCC[C@H](C3CCCCC3)C2)on1 ZINC000662200886 1120897103 /nfs/dbraw/zinc/89/71/03/1120897103.db2.gz IKEJAHIGKNASCR-HNNXBMFYSA-N 0 1 290.407 3.670 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@@H](C3CCCCC3)C2)o1 ZINC000662201236 1120899014 /nfs/dbraw/zinc/89/90/14/1120899014.db2.gz KWKYXXKOVLDWTL-IUODEOHRSA-N 0 1 277.412 3.731 20 0 CHADMN NC1(c2noc(-c3cccc(C4CCCC4)c3)n2)CCC1 ZINC000663251910 1120899355 /nfs/dbraw/zinc/89/93/55/1120899355.db2.gz XXGHLGRPTZUUDM-UHFFFAOYSA-N 0 1 283.375 3.732 20 0 CHADMN CC(C)c1cccc(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000662210419 1120900149 /nfs/dbraw/zinc/90/01/49/1120900149.db2.gz FXPRDPKZENVIEG-HNNXBMFYSA-N 0 1 289.419 3.887 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H]2CCCC3(CC3)C2)n1 ZINC000663251904 1120900411 /nfs/dbraw/zinc/90/04/11/1120900411.db2.gz XSPQHIKTTUZQFL-RYUDHWBXSA-N 0 1 263.385 3.553 20 0 CHADMN CC[N@@H+](Cc1ccc(-c2ccccc2)cc1)[C@@H](C)C(=O)[O-] ZINC000662215018 1120903496 /nfs/dbraw/zinc/90/34/96/1120903496.db2.gz DPYXVYJBTXKEAP-AWEZNQCLSA-N 0 1 283.371 3.649 20 0 CHADMN Cn1cccc1CNCc1cccc(Cl)c1Cl ZINC000343893906 1120908446 /nfs/dbraw/zinc/90/84/46/1120908446.db2.gz JMAJRNWSZCQTSI-UHFFFAOYSA-N 0 1 269.175 3.622 20 0 CHADMN C[N@H+](Cc1c2ccccc2sc1C(=O)[O-])CC1CCC1 ZINC000061479428 1120912754 /nfs/dbraw/zinc/91/27/54/1120912754.db2.gz XMKYQPHHYDFJKL-UHFFFAOYSA-N 0 1 289.400 3.831 20 0 CHADMN Cc1cccc(Cl)c1CN(C)CC1=CCSC1 ZINC000662267633 1120914957 /nfs/dbraw/zinc/91/49/57/1120914957.db2.gz WWGLJOBFYWWSFO-UHFFFAOYSA-N 0 1 267.825 3.753 20 0 CHADMN CCOc1ccc(CN2CC3CC2(c2ccccc2)C3)nc1 ZINC000662332698 1120927236 /nfs/dbraw/zinc/92/72/36/1120927236.db2.gz YATXTMBDZKMKIN-UHFFFAOYSA-N 0 1 294.398 3.601 20 0 CHADMN CC(C)n1cc(CN[C@@]2(c3ccccc3)CC2(C)C)cn1 ZINC000663338793 1120938578 /nfs/dbraw/zinc/93/85/78/1120938578.db2.gz WKNLZRUUHKDJGM-GOSISDBHSA-N 0 1 283.419 3.879 20 0 CHADMN CC[C@@H](C(=O)O[C@@H](C)c1ccccc1F)N(CC)CC ZINC000779451909 1128950689 /nfs/dbraw/zinc/95/06/89/1128950689.db2.gz RPNZFDFLUPNVNB-WFASDCNBSA-N 0 1 281.371 3.550 20 0 CHADMN C=C(C)CNC(=S)Nc1cc(Cl)ccc1SC ZINC000064371878 1120941840 /nfs/dbraw/zinc/94/18/40/1120941840.db2.gz CVRTYVRGIDBRBO-UHFFFAOYSA-N 0 1 286.853 3.924 20 0 CHADMN CCCc1ccc([C@H](NCc2cc[nH]n2)C(C)C)cc1 ZINC000066970825 1120952835 /nfs/dbraw/zinc/95/28/35/1120952835.db2.gz RIMUXVPGMLJCIL-QGZVFWFLSA-N 0 1 271.408 3.849 20 0 CHADMN C/C(=C\c1nc([C@H](N)CC(C)C)no1)c1cccs1 ZINC000621245886 1120966386 /nfs/dbraw/zinc/96/63/86/1120966386.db2.gz APMIBEQBVXFCBL-RJCSOLBVSA-N 0 1 277.393 3.738 20 0 CHADMN C[C@H](N[C@@H]1COC2(CCC2)C1)c1nc2ccccc2s1 ZINC000688296444 1128952883 /nfs/dbraw/zinc/95/28/83/1128952883.db2.gz MUOKNUWBQJKLGF-RYUDHWBXSA-N 0 1 288.416 3.659 20 0 CHADMN Cc1ccccc1-c1noc(CN(CC(C)C)C2CC2)n1 ZINC000051735034 1120977676 /nfs/dbraw/zinc/97/76/76/1120977676.db2.gz RXYUHLNFCSTYLR-UHFFFAOYSA-N 0 1 285.391 3.665 20 0 CHADMN CCSc1ccccc1[C@@H](C)NCc1ccnn1CC ZINC000663468054 1120982027 /nfs/dbraw/zinc/98/20/27/1120982027.db2.gz ROUQHAONULTGAJ-CYBMUJFWSA-N 0 1 289.448 3.866 20 0 CHADMN CCn1nccc1CN[C@H]1C[C@H](C)Sc2sccc21 ZINC000663468670 1120983442 /nfs/dbraw/zinc/98/34/42/1120983442.db2.gz XFPIDSSYWIAPRZ-GWCFXTLKSA-N 0 1 293.461 3.680 20 0 CHADMN c1ccc(Cc2noc([C@@H]3CC[C@H]4CCCC[C@H]4N3)n2)cc1 ZINC000317243547 1121004166 /nfs/dbraw/zinc/00/41/66/1121004166.db2.gz ZLBJDORJJSUKCL-OAGGEKHMSA-N 0 1 297.402 3.644 20 0 CHADMN C[C@@H]1CCN(C(=O)c2cccc3n[nH]cc32)[C@H]2CCCC[C@H]12 ZINC000057083277 1121012908 /nfs/dbraw/zinc/01/29/08/1121012908.db2.gz AEOBCXWJAGTBMU-XNJGSVPQSA-N 0 1 297.402 3.604 20 0 CHADMN Cc1ccc2sc(CN3CC4CC3(C)C4)nc2c1 ZINC000625564636 1121018928 /nfs/dbraw/zinc/01/89/28/1121018928.db2.gz GDTRXNUJLDAXJU-UHFFFAOYSA-N 0 1 258.390 3.589 20 0 CHADMN C[C@@H](Cc1ccccc1)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000509187037 1121024396 /nfs/dbraw/zinc/02/43/96/1121024396.db2.gz STPRJTBPGPJRKO-NSHDSACASA-N 0 1 297.333 3.519 20 0 CHADMN CC(C)n1nccc1-c1nc2ccc(Cl)cc2[nH]1 ZINC000358852436 1121033916 /nfs/dbraw/zinc/03/39/16/1121033916.db2.gz WJIJLALQQANPEK-UHFFFAOYSA-N 0 1 260.728 3.661 20 0 CHADMN CC1(C)C[N@H+]([C@H]2COC(C)(C)C2)[C@@H]1c1cccs1 ZINC000660560226 1121035845 /nfs/dbraw/zinc/03/58/45/1121035845.db2.gz XUKCYVJAGACKEI-DGCLKSJQSA-N 0 1 265.422 3.699 20 0 CHADMN Cc1cc(Nc2ccc3cc[nH]c3c2)n(-c2ccncc2)n1 ZINC001174750097 1121036526 /nfs/dbraw/zinc/03/65/26/1121036526.db2.gz CZNIFFMIHFZQOL-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Fc1cccc([C@H]2CCN2CCOc2ccccc2)c1 ZINC000674011496 1121038645 /nfs/dbraw/zinc/03/86/45/1121038645.db2.gz JXFNVGTXKWSQGE-QGZVFWFLSA-N 0 1 271.335 3.652 20 0 CHADMN CCc1ccc(CN2CCC[C@@H]2c2cccc(C)n2)o1 ZINC000093453377 1128958216 /nfs/dbraw/zinc/95/82/16/1128958216.db2.gz JJVFKAQXROTJIB-QGZVFWFLSA-N 0 1 270.376 3.883 20 0 CHADMN COc1ccc(F)cc1CN1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000625645765 1121044893 /nfs/dbraw/zinc/04/48/93/1121044893.db2.gz HZQSKNYFDOSCIN-GHMZBOCLSA-N 0 1 287.325 3.557 20 0 CHADMN CC(C)c1cccc(CN[C@@](C)(CO)c2cccc(O)c2)c1 ZINC000660561276 1121045892 /nfs/dbraw/zinc/04/58/92/1121045892.db2.gz RBOPBSOWHQTGLY-IBGZPJMESA-N 0 1 299.414 3.513 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)C[C@H](O)c1ccc(F)cc1 ZINC000133964890 1121052281 /nfs/dbraw/zinc/05/22/81/1121052281.db2.gz HXMZOJIRMILCOU-SJCJKPOMSA-N 0 1 291.341 3.691 20 0 CHADMN FC1(F)CC12C[C@H]1CC[C@@H](C2)N1Cc1cncc(Cl)c1 ZINC000625676814 1121055102 /nfs/dbraw/zinc/05/51/02/1121055102.db2.gz PRRCFBRVTNHNME-PBWFPOADSA-N 0 1 298.764 3.887 20 0 CHADMN CC(C)c1noc([C@H](C)N2C[C@@H](C)CC(C)(C)C2)n1 ZINC000344033932 1121059409 /nfs/dbraw/zinc/05/94/09/1121059409.db2.gz GFRRTTQUKREODW-RYUDHWBXSA-N 0 1 265.401 3.622 20 0 CHADMN CN(Cc1nc(-c2ccsc2)no1)C[C@H]1CC=CCC1 ZINC000344033836 1121059509 /nfs/dbraw/zinc/05/95/09/1121059509.db2.gz FWQWFVARTFOEIN-LBPRGKRZSA-N 0 1 289.404 3.586 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(Oc2cccnc2)cc1 ZINC001174849547 1121066109 /nfs/dbraw/zinc/06/61/09/1121066109.db2.gz PHQPZQUEJTYQMM-UHFFFAOYSA-N 0 1 280.331 3.659 20 0 CHADMN Oc1ccc2c(c1)CN([C@H]1CCc3ccc(F)cc31)C2 ZINC000625726412 1121069044 /nfs/dbraw/zinc/06/90/44/1121069044.db2.gz HLHSPLUGLWADQK-KRWDZBQOSA-N 0 1 269.319 3.534 20 0 CHADMN CC1(C)CCC(C)(C)N(Cc2ncc(C3CC3)o2)C1 ZINC000625722929 1121070491 /nfs/dbraw/zinc/07/04/91/1121070491.db2.gz GTXRKJBIFGKBHE-UHFFFAOYSA-N 0 1 262.397 3.953 20 0 CHADMN COc1cncc(CN(C)Cc2ccc3ccccc3c2)c1 ZINC000344060751 1121071344 /nfs/dbraw/zinc/07/13/44/1121071344.db2.gz LQEWSBILQZHERI-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC[C@@H](C3CCCCC3)C2)[nH]1 ZINC001174863156 1121072566 /nfs/dbraw/zinc/07/25/66/1121072566.db2.gz HESXMJPKHMEBAI-UKRRQHHQSA-N 0 1 290.455 3.720 20 0 CHADMN C[C@@H]1CN(Cc2ccncc2Cl)CC(C)(C)C1 ZINC000344085746 1121078245 /nfs/dbraw/zinc/07/82/45/1121078245.db2.gz TVQLUPUZSLMNLS-NSHDSACASA-N 0 1 252.789 3.603 20 0 CHADMN c1coc(-c2nnc(Nc3cccc4ncccc43)o2)c1 ZINC001174905324 1121086497 /nfs/dbraw/zinc/08/64/97/1121086497.db2.gz OSTDOKMJFJKCNE-UHFFFAOYSA-N 0 1 278.271 3.621 20 0 CHADMN c1cc(Nc2cccc3ncccc32)n(-c2ccncc2)n1 ZINC001174908138 1121087050 /nfs/dbraw/zinc/08/70/50/1121087050.db2.gz LTHOEWZQBSDVDL-UHFFFAOYSA-N 0 1 287.326 3.559 20 0 CHADMN CC(C)[N@H+]1CCC[C@H]1C(=O)OCc1cccc(C(F)F)c1 ZINC001128621956 1121088828 /nfs/dbraw/zinc/08/88/28/1121088828.db2.gz SOOZSDBWYHKTQT-AWEZNQCLSA-N 0 1 297.345 3.540 20 0 CHADMN CC(C)N1CCC[C@H]1C(=O)OCc1cccc(C(F)F)c1 ZINC001128621956 1121088833 /nfs/dbraw/zinc/08/88/33/1121088833.db2.gz SOOZSDBWYHKTQT-AWEZNQCLSA-N 0 1 297.345 3.540 20 0 CHADMN CCCCC[N@@H+](Cc1nnc(C(C)C)o1)C(C)C ZINC000171144301 1121095902 /nfs/dbraw/zinc/09/59/02/1121095902.db2.gz ONNQMPFUCFULNO-UHFFFAOYSA-N 0 1 253.390 3.594 20 0 CHADMN CCCCCN(Cc1nnc(C(C)C)o1)C(C)C ZINC000171144301 1121095911 /nfs/dbraw/zinc/09/59/11/1121095911.db2.gz ONNQMPFUCFULNO-UHFFFAOYSA-N 0 1 253.390 3.594 20 0 CHADMN C[C@@H](NC[C@@H](O)C(C)(C)C)c1c(F)cccc1Cl ZINC000324640743 1121102703 /nfs/dbraw/zinc/10/27/03/1121102703.db2.gz XGMLVRVWQWGTGE-BXKDBHETSA-N 0 1 273.779 3.537 20 0 CHADMN Cc1oc2ccccc2c1CNCc1cn(C)nc1C1CC1 ZINC000893640378 1121114437 /nfs/dbraw/zinc/11/44/37/1121114437.db2.gz BXJHWRBYCKAXOU-UHFFFAOYSA-N 0 1 295.386 3.642 20 0 CHADMN Cc1nc2ccccc2nc1CNC1(c2ccccc2)CC1 ZINC000265130692 1121117362 /nfs/dbraw/zinc/11/73/62/1121117362.db2.gz MVWFTDVIXHCFFS-UHFFFAOYSA-N 0 1 289.382 3.717 20 0 CHADMN Cc1oc2ccccc2c1CNCc1cnn(C)c1C1CC1 ZINC000893643978 1121120530 /nfs/dbraw/zinc/12/05/30/1121120530.db2.gz VAYDMYZYBLMPSB-UHFFFAOYSA-N 0 1 295.386 3.642 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccc(C(=O)[O-])o1)C1CCCCC1 ZINC000530174684 1121123936 /nfs/dbraw/zinc/12/39/36/1121123936.db2.gz YOBYBAPSNGHTCH-LBPRGKRZSA-N 0 1 279.380 3.626 20 0 CHADMN Cc1ncsc1CN(C)CCOc1cc(C)ccc1C ZINC000171752576 1121128716 /nfs/dbraw/zinc/12/87/16/1121128716.db2.gz ZVUWUVOWNANYCN-UHFFFAOYSA-N 0 1 290.432 3.579 20 0 CHADMN COc1cc(F)cc(Nc2cnc3cccc(C)n23)c1 ZINC001175009163 1121131098 /nfs/dbraw/zinc/13/10/98/1121131098.db2.gz GZGBMBQCDZRUQN-UHFFFAOYSA-N 0 1 271.295 3.534 20 0 CHADMN CC[C@@H](C)CN(C)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000171866868 1121132544 /nfs/dbraw/zinc/13/25/44/1121132544.db2.gz QVBSJLKDONBCGZ-GFCCVEGCSA-N 0 1 285.391 3.503 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1ccccc1F)c1cnn(C)c1 ZINC000922892682 1121145046 /nfs/dbraw/zinc/14/50/46/1121145046.db2.gz FYIGFDYUUFHZID-BLLLJJGKSA-N 0 1 275.371 3.607 20 0 CHADMN COc1c(F)cccc1CN1CCCc2ccccc2C1 ZINC001143530044 1121145290 /nfs/dbraw/zinc/14/52/90/1121145290.db2.gz KVXHPUZRRIDQRJ-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@@H]1CCCc2ccc(O)cc21 ZINC000235206780 1121145415 /nfs/dbraw/zinc/14/54/15/1121145415.db2.gz ZCPZXWHKRXYHEW-QLJPJBMISA-N 0 1 286.375 3.725 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H](C(C)(C)C)CC2)oc1C(=O)[O-] ZINC000079349717 1121145541 /nfs/dbraw/zinc/14/55/41/1121145541.db2.gz KHXBVCIFCAKTNR-CYBMUJFWSA-N 0 1 293.407 3.934 20 0 CHADMN C[C@H](CN1CCn2cccc2[C@@H]1C)c1ccccc1 ZINC000172334372 1121146980 /nfs/dbraw/zinc/14/69/80/1121146980.db2.gz TZLVYUSSWMYRDM-CABCVRRESA-N 0 1 254.377 3.668 20 0 CHADMN CCSCC[N@@H+](C)Cc1ccc(Br)s1 ZINC000172383356 1121148569 /nfs/dbraw/zinc/14/85/69/1121148569.db2.gz NZBAZIVTGXGUJF-UHFFFAOYSA-N 0 1 294.283 3.696 20 0 CHADMN CCSCCN(C)Cc1ccc(Br)s1 ZINC000172383356 1121148574 /nfs/dbraw/zinc/14/85/74/1121148574.db2.gz NZBAZIVTGXGUJF-UHFFFAOYSA-N 0 1 294.283 3.696 20 0 CHADMN CC(C)CC1(NCc2occc2Br)CC1 ZINC000701450611 1121152016 /nfs/dbraw/zinc/15/20/16/1121152016.db2.gz ZBVOEYIEYLYAAT-UHFFFAOYSA-N 0 1 272.186 3.710 20 0 CHADMN COc1ccc2cc(CN3CCOC4(CCC4)C3)ccc2c1 ZINC000093640010 1128966275 /nfs/dbraw/zinc/96/62/75/1128966275.db2.gz TWZGQONEYHPQOV-UHFFFAOYSA-N 0 1 297.398 3.603 20 0 CHADMN O=C([O-])[C@@]12CCC[C@@H]1C[N@@H+](CCC1CCCCCC1)C2 ZINC000701545091 1121157649 /nfs/dbraw/zinc/15/76/49/1121157649.db2.gz BDWRKIUWANPBGR-NVXWUHKLSA-N 0 1 279.424 3.534 20 0 CHADMN C[C@@H](NCc1ccc(Br)cn1)c1cccs1 ZINC000069938564 1121161084 /nfs/dbraw/zinc/16/10/84/1121161084.db2.gz MDCIXJCDVBOJAC-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN C/C=C/C[C@H]1CCCN(Cc2cncc(Cl)c2)C1 ZINC001175053017 1121162305 /nfs/dbraw/zinc/16/23/05/1121162305.db2.gz LCXYJPQZAZPGPM-IBUXWKBASA-N 0 1 264.800 3.913 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@H]1CCCc2ccc(O)cc21 ZINC000235542471 1121165802 /nfs/dbraw/zinc/16/58/02/1121165802.db2.gz ZCPZXWHKRXYHEW-QFYYESIMSA-N 0 1 286.375 3.725 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCOC[C@@H](C2CCC2)C1 ZINC000429237828 1121167779 /nfs/dbraw/zinc/16/77/79/1121167779.db2.gz PKCVIZQVUUGQQD-OCCSQVGLSA-N 0 1 295.373 3.774 20 0 CHADMN CC[C@H](C)CCN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000658123363 1121167918 /nfs/dbraw/zinc/16/79/18/1121167918.db2.gz ZLIGSWKEBVBGFX-WFASDCNBSA-N 0 1 275.371 3.664 20 0 CHADMN c1c2ccccc2sc1CN1CCOC[C@H]1C1CC1 ZINC000093645343 1128967362 /nfs/dbraw/zinc/96/73/62/1128967362.db2.gz DNGZQICFRBMIKU-HNNXBMFYSA-N 0 1 273.401 3.512 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N(C)Cc1ccc(OC)nc1 ZINC000674749897 1121177095 /nfs/dbraw/zinc/17/70/95/1121177095.db2.gz BDKAYORHAMJYLT-MRXNPFEDSA-N 0 1 288.366 3.812 20 0 CHADMN CCOc1ccc(CN(C)[C@H](C)c2cccs2)nc1 ZINC000674861063 1121188365 /nfs/dbraw/zinc/18/83/65/1121188365.db2.gz MHJUOFSIINSYSB-GFCCVEGCSA-N 0 1 276.405 3.735 20 0 CHADMN CC(C)[C@@H](NCc1ccc(F)cc1Cl)c1cnn(C)c1 ZINC000922894377 1121188802 /nfs/dbraw/zinc/18/88/02/1121188802.db2.gz KCLFIMGWKUVFEF-OAHLLOKOSA-N 0 1 295.789 3.700 20 0 CHADMN Fc1cc(CN[C@H]2CCOc3ccccc32)cc(F)c1F ZINC000062706956 1121189658 /nfs/dbraw/zinc/18/96/58/1121189658.db2.gz FGTHSGTWINAWPO-AWEZNQCLSA-N 0 1 293.288 3.717 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@@H](C)c3cccs3)[nH]c2c1 ZINC000344479895 1121190808 /nfs/dbraw/zinc/19/08/08/1121190808.db2.gz DGBMLPOXZYHBBN-JTQLQIEISA-N 0 1 285.372 3.675 20 0 CHADMN Fc1ccccc1[C@H](NCc1cn[nH]c1)C1CCCC1 ZINC000674882845 1121191975 /nfs/dbraw/zinc/19/19/75/1121191975.db2.gz CPAXXPVDACQVTJ-MRXNPFEDSA-N 0 1 273.355 3.570 20 0 CHADMN C[C@H]1CN(CCCOC(C)(C)C)C[C@H](c2ccccc2)O1 ZINC000674905194 1121193909 /nfs/dbraw/zinc/19/39/09/1121193909.db2.gz LIJFLNQTPRKFKC-DOTOQJQBSA-N 0 1 291.435 3.654 20 0 CHADMN FC(F)(F)c1n[nH]c2c1CCN(C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207632417 1121198162 /nfs/dbraw/zinc/19/81/62/1121198162.db2.gz ODTJNSYNBUKTPB-BBGACYKPSA-N 0 1 297.324 3.555 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CCCCC[C@@H]1C ZINC000512203973 1121198203 /nfs/dbraw/zinc/19/82/03/1121198203.db2.gz SLWHDFVPHZRDCG-ZDUSSCGKSA-N 0 1 289.398 3.960 20 0 CHADMN COc1cccc([C@H](C)N2CCOc3ccc(C)cc3C2)c1 ZINC000512212658 1121201714 /nfs/dbraw/zinc/20/17/14/1121201714.db2.gz MLLNOEBNPCTPPJ-HNNXBMFYSA-N 0 1 297.398 3.959 20 0 CHADMN Cc1ccc(CN2CCO[C@@H](c3cccs3)C2)c(C)c1 ZINC000512211773 1121201925 /nfs/dbraw/zinc/20/19/25/1121201925.db2.gz KSMDTXUHILTGBS-MRXNPFEDSA-N 0 1 287.428 3.938 20 0 CHADMN Cc1cccnc1CNCc1ccc(C2CC2)cc1 ZINC000094519854 1121209764 /nfs/dbraw/zinc/20/97/64/1121209764.db2.gz RGPHRPMNRNEKMZ-UHFFFAOYSA-N 0 1 252.361 3.557 20 0 CHADMN CC1(C)C[C@H]1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000337489610 1121212119 /nfs/dbraw/zinc/21/21/19/1121212119.db2.gz LVKXVVVAJWQRFL-LBPRGKRZSA-N 0 1 283.375 3.815 20 0 CHADMN O=C(Cc1ccc(Cl)cc1Cl)NOc1ccccc1 ZINC000773468545 1121218619 /nfs/dbraw/zinc/21/86/19/1121218619.db2.gz TXUCFFZMLVHKBM-UHFFFAOYSA-N 0 1 296.153 3.646 20 0 CHADMN COc1cc(Cl)ccc1CN1CCC(CCF)CC1 ZINC001175182859 1121221571 /nfs/dbraw/zinc/22/15/71/1121221571.db2.gz CMNBFQWETLGKBG-UHFFFAOYSA-N 0 1 285.790 3.920 20 0 CHADMN Cc1ncncc1[C@@H](C)NCc1ccc(Cl)c(Cl)c1 ZINC000658208763 1121223275 /nfs/dbraw/zinc/22/32/75/1121223275.db2.gz KNPCDRUMASLZAN-SECBINFHSA-N 0 1 296.201 3.943 20 0 CHADMN CC(C)(C)[C@@H](NCc1cn[nH]c1)c1ccc(F)cc1F ZINC000675157713 1121227129 /nfs/dbraw/zinc/22/71/29/1121227129.db2.gz ZQICRGCYNDNPHB-AWEZNQCLSA-N 0 1 279.334 3.565 20 0 CHADMN CC(C)CCCCNCc1cc(COC(C)(C)C)on1 ZINC000893700008 1121232816 /nfs/dbraw/zinc/23/28/16/1121232816.db2.gz ALWPFWZJQHBQOZ-UHFFFAOYSA-N 0 1 282.428 3.906 20 0 CHADMN CCc1cccc(NC(=O)c2c(O)cccc2F)c1CC ZINC000436730527 1121241324 /nfs/dbraw/zinc/24/13/24/1121241324.db2.gz XEJQVYLNUBVUPC-UHFFFAOYSA-N 0 1 287.334 3.908 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CCC[C@@H](C2CCC2)C1 ZINC000662035712 1121242811 /nfs/dbraw/zinc/24/28/11/1121242811.db2.gz ABVINVBQKIDSEF-GXTWGEPZSA-N 0 1 291.439 3.940 20 0 CHADMN C[C@H]1CC[C@@H]2C(=O)N(Cc3cc(Cl)ccc3Cl)N=C12 ZINC000634626755 1128972702 /nfs/dbraw/zinc/97/27/02/1128972702.db2.gz LKOIWRBUUUSDNA-KWQFWETISA-N 0 1 297.185 3.738 20 0 CHADMN C[C@H]1CCc2c(=O)n(Cc3cc(Cl)ccc3Cl)[nH]c21 ZINC000634626755 1128972706 /nfs/dbraw/zinc/97/27/06/1128972706.db2.gz LKOIWRBUUUSDNA-KWQFWETISA-N 0 1 297.185 3.738 20 0 CHADMN Cc1ccccc1[C@@H](C(C)C)N(C)Cc1nccn1C ZINC000112357571 1121254991 /nfs/dbraw/zinc/25/49/91/1121254991.db2.gz OBSVYVXUSYISIZ-QGZVFWFLSA-N 0 1 271.408 3.558 20 0 CHADMN C[C@H]1CC[N@@H+](CCSCc2ccccc2)C[C@H]1F ZINC000619166684 1128972937 /nfs/dbraw/zinc/97/29/37/1128972937.db2.gz VDFUFCWQJBJPAE-DZGCQCFKSA-N 0 1 267.413 3.600 20 0 CHADMN C[C@H]1CCN(CCSCc2ccccc2)C[C@H]1F ZINC000619166684 1128972939 /nfs/dbraw/zinc/97/29/39/1128972939.db2.gz VDFUFCWQJBJPAE-DZGCQCFKSA-N 0 1 267.413 3.600 20 0 CHADMN C[C@H]1SCCN(Cc2cc(-c3ccccc3)no2)[C@@H]1C ZINC000112645072 1121255524 /nfs/dbraw/zinc/25/55/24/1121255524.db2.gz QUKIIUUCZADTMF-CHWSQXEVSA-N 0 1 288.416 3.667 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@H](C)N1CCCC(C)(C)C1 ZINC000112703095 1121261345 /nfs/dbraw/zinc/26/13/45/1121261345.db2.gz YDDFGKMOZJLSOP-HNNXBMFYSA-N 0 1 288.435 3.752 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)Nc1cccc(C(F)F)c1 ZINC000630886633 1128974096 /nfs/dbraw/zinc/97/40/96/1128974096.db2.gz DJYMFSDWBXAFFQ-UHFFFAOYSA-N 0 1 279.290 3.723 20 0 CHADMN Fc1ccc2c(c1)nccc2NCCOC1CCCC1 ZINC000500494741 1121287616 /nfs/dbraw/zinc/28/76/16/1121287616.db2.gz SSTKIMJIWUTHMO-UHFFFAOYSA-N 0 1 274.339 3.745 20 0 CHADMN C[C@H](N[C@@H](CCO)c1cccs1)c1ccccc1F ZINC000766127174 1121289490 /nfs/dbraw/zinc/28/94/90/1121289490.db2.gz AXORMFZQLMSXPV-FZMZJTMJSA-N 0 1 279.380 3.662 20 0 CHADMN Cc1ccnc(F)c1Nc1nc2ccc(F)cc2o1 ZINC001212553884 1121292512 /nfs/dbraw/zinc/29/25/12/1121292512.db2.gz AGYLGIJEPCMSJH-UHFFFAOYSA-N 0 1 261.231 3.553 20 0 CHADMN COc1cccc(CN2C[C@H](C)[C@H]2c2ccccc2)c1OC ZINC000093867503 1128975866 /nfs/dbraw/zinc/97/58/66/1128975866.db2.gz NDXHKWDPGUSXFO-KSSFIOAISA-N 0 1 297.398 3.897 20 0 CHADMN Cc1cc(Nc2cnc3cccnc3c2)c2ccccc2n1 ZINC001175354813 1121295787 /nfs/dbraw/zinc/29/57/87/1121295787.db2.gz LOOVLCCCBAZDEO-UHFFFAOYSA-N 0 1 286.338 3.652 20 0 CHADMN Cc1ccccc1Cc1noc(CN2CCC[C@@H]2C(C)C)n1 ZINC000429816889 1121308788 /nfs/dbraw/zinc/30/87/88/1121308788.db2.gz IUNULNWDAPZBJG-MRXNPFEDSA-N 0 1 299.418 3.589 20 0 CHADMN CC(C)C[C@H](N[C@H](C)c1nccn1C)c1ccc(F)cc1 ZINC000658339411 1121315129 /nfs/dbraw/zinc/31/51/29/1121315129.db2.gz RMBKAWPJRZTRLI-CJNGLKHVSA-N 0 1 289.398 3.997 20 0 CHADMN CC(C)c1cc(=O)n(Cc2c(Cl)cccc2Cl)[nH]1 ZINC000634629796 1128977222 /nfs/dbraw/zinc/97/72/22/1128977222.db2.gz DCWGSJJQNBOPSK-UHFFFAOYSA-N 0 1 285.174 3.738 20 0 CHADMN C[C@H](O)C[C@H]1CCCN1Cc1ccc(C(F)(F)F)s1 ZINC000432752360 1121317806 /nfs/dbraw/zinc/31/78/06/1121317806.db2.gz LFHUONILGKBAAB-VHSXEESVSA-N 0 1 293.354 3.502 20 0 CHADMN C[C@@H]1CCN(Cc2nc3ccc(F)cc3s2)C[C@H]1C ZINC000432752710 1121318324 /nfs/dbraw/zinc/31/83/24/1121318324.db2.gz OEJKWUOYYZOUJS-GHMZBOCLSA-N 0 1 278.396 3.913 20 0 CHADMN C[C@@H]1CCN(Cc2nc3ccc(F)cc3s2)C[C@@H]1C ZINC000432752711 1121318521 /nfs/dbraw/zinc/31/85/21/1121318521.db2.gz OEJKWUOYYZOUJS-MNOVXSKESA-N 0 1 278.396 3.913 20 0 CHADMN CCCN(C)Cc1ccc(F)c(Cl)c1Cl ZINC000432748467 1121319520 /nfs/dbraw/zinc/31/95/20/1121319520.db2.gz UDBIUHKWYJMICT-UHFFFAOYSA-N 0 1 250.144 3.974 20 0 CHADMN Cc1cn(-c2ccc3n[nH]cc3c2C)c2cccc(N)c12 ZINC001175467113 1121330579 /nfs/dbraw/zinc/33/05/79/1121330579.db2.gz JXPXCJKJCWAPNS-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN Cc1ccc2cc(CNCc3ccccc3F)ccc2n1 ZINC000097861270 1121331070 /nfs/dbraw/zinc/33/10/70/1121331070.db2.gz XSWIUIDCOOPHOC-UHFFFAOYSA-N 0 1 280.346 3.972 20 0 CHADMN CCc1ccc(CNC[C@@H](OC)c2ccccc2Cl)o1 ZINC000675643955 1121333141 /nfs/dbraw/zinc/33/31/41/1121333141.db2.gz HXGVQLSERJOSHI-MRXNPFEDSA-N 0 1 293.794 3.973 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2ccn(C3CCCC3)n2)C1 ZINC000429579743 1121339689 /nfs/dbraw/zinc/33/96/89/1121339689.db2.gz RMWUMRWIMKMPAF-BBRMVZONSA-N 0 1 261.413 3.619 20 0 CHADMN C[C@@H]1CC[C@H](N(C)Cc2ccn(-c3ccccc3F)n2)C1 ZINC000429577224 1121340428 /nfs/dbraw/zinc/34/04/28/1121340428.db2.gz FAKZLMPRUMKTKZ-HIFRSBDPSA-N 0 1 287.382 3.632 20 0 CHADMN CCn1nccc1CN[C@H](C)c1ccc(C(C)C)cc1 ZINC000125090087 1121340524 /nfs/dbraw/zinc/34/05/24/1121340524.db2.gz RDUZLGSPAOKQTP-CQSZACIVSA-N 0 1 271.408 3.877 20 0 CHADMN CCCCOCCN1CCC[C@@](F)(c2ccccc2)C1 ZINC001175490559 1121341219 /nfs/dbraw/zinc/34/12/19/1121341219.db2.gz FPVKRUILCHAJRT-KRWDZBQOSA-N 0 1 279.399 3.764 20 0 CHADMN C[C@@H]1CC[C@H](N(C)Cc2ncc(C(C)(C)C)o2)C1 ZINC000429580738 1121341249 /nfs/dbraw/zinc/34/12/49/1121341249.db2.gz VZLSICKALGZSMS-NEPJUHHUSA-N 0 1 250.386 3.593 20 0 CHADMN Fc1ccc(-c2cc(Nc3cncs3)on2)cc1 ZINC001175494818 1121343451 /nfs/dbraw/zinc/34/34/51/1121343451.db2.gz GLPFACNJOBYIKE-UHFFFAOYSA-N 0 1 261.281 3.681 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1Cc1nnc(C(C)(C)C)[nH]1 ZINC000432785160 1121346868 /nfs/dbraw/zinc/34/68/68/1121346868.db2.gz RWHIDHMGHZLQBS-OLZOCXBDSA-N 0 1 278.444 3.503 20 0 CHADMN CCc1cccc(CN2CCN(c3cccc(F)c3)CC2)c1 ZINC001175452499 1121347252 /nfs/dbraw/zinc/34/72/52/1121347252.db2.gz FLVYNCKUDXZBAV-UHFFFAOYSA-N 0 1 298.405 3.710 20 0 CHADMN CC(C)(C)c1nc(CN2CC3(CCC3)c3ccccc32)n[nH]1 ZINC000432787074 1121352308 /nfs/dbraw/zinc/35/23/08/1121352308.db2.gz QYULRRMKZVLLKR-UHFFFAOYSA-N 0 1 296.418 3.544 20 0 CHADMN CC(=O)Nc1cccc(CN[C@@H]2CSc3ccccc32)c1 ZINC000675748076 1121353923 /nfs/dbraw/zinc/35/39/23/1121353923.db2.gz OZNCPFJPNOCACF-MRXNPFEDSA-N 0 1 298.411 3.582 20 0 CHADMN C[C@H](N[C@@H]1CSCc2ccccc21)c1cncc(F)c1 ZINC000675782565 1121360196 /nfs/dbraw/zinc/36/01/96/1121360196.db2.gz JGMOQFRIYNRGCE-MEDUHNTESA-N 0 1 288.391 3.859 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2CSCc3ccccc32)c(C)n1 ZINC000675782479 1121361056 /nfs/dbraw/zinc/36/10/56/1121361056.db2.gz GHCTVAOETGWQCF-SJKOYZFVSA-N 0 1 299.443 3.732 20 0 CHADMN CCn1cc([C@@H](C)N[C@@H]2CSCc3ccccc32)cn1 ZINC000675782158 1121361938 /nfs/dbraw/zinc/36/19/38/1121361938.db2.gz CBYZAJVZSOJFMG-MLGOLLRUSA-N 0 1 287.432 3.542 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ncc(Cl)nc1Cl ZINC001175524301 1121362991 /nfs/dbraw/zinc/36/29/91/1121362991.db2.gz AZENOCQFVOQXAV-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cn(CC2CCC2)cn1 ZINC001175523029 1121363506 /nfs/dbraw/zinc/36/35/06/1121363506.db2.gz CYSTUCBLRVRPFR-UHFFFAOYSA-N 0 1 281.363 3.612 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1nccc2cnccc21 ZINC001175524412 1121364062 /nfs/dbraw/zinc/36/40/62/1121364062.db2.gz TVBISBPOHYZALG-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1cn2cccc(Nc3c4cn[nH]c4ccc3C)c2n1 ZINC001175523871 1121364079 /nfs/dbraw/zinc/36/40/79/1121364079.db2.gz PCORFLFBUXJCTB-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(-n2cccn2)cc1 ZINC001175525380 1121365048 /nfs/dbraw/zinc/36/50/48/1121365048.db2.gz DDYJSDABSKKYLU-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN CC(=O)c1cc(F)ccc1Nc1c2cn[nH]c2ccc1C ZINC001175525426 1121365526 /nfs/dbraw/zinc/36/55/26/1121365526.db2.gz BKDKIFQJRHIWQU-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN CCC[C@H](N[C@@H](C)c1cncc(F)c1)c1ccccn1 ZINC000675815922 1121366731 /nfs/dbraw/zinc/36/67/31/1121366731.db2.gz HHPLOFLDWJWBDP-LRDDRELGSA-N 0 1 273.355 3.808 20 0 CHADMN COc1ccc(F)c(F)c1Nc1c2cn[nH]c2ccc1C ZINC001175526812 1121367839 /nfs/dbraw/zinc/36/78/39/1121367839.db2.gz VQTAQFFJRQGNAW-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN COc1cccc(CN[C@H](CC2CC2)c2ccccc2)n1 ZINC000675821819 1121367796 /nfs/dbraw/zinc/36/77/96/1121367796.db2.gz SDHPLPXNYABSPT-QGZVFWFLSA-N 0 1 282.387 3.721 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccccc1-n1cccn1 ZINC001175526250 1121368164 /nfs/dbraw/zinc/36/81/64/1121368164.db2.gz PYJUPRXEVCKHHD-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN C[C@@H](CF)NCc1cccc(Oc2ccccc2)c1 ZINC000644890773 1121369377 /nfs/dbraw/zinc/36/93/77/1121369377.db2.gz GPSCJYOHNNAMDK-ZDUSSCGKSA-N 0 1 259.324 3.927 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc(C2OCCO2)c1 ZINC001175526786 1121369765 /nfs/dbraw/zinc/36/97/65/1121369765.db2.gz UBQUYUYCPNGTLC-UHFFFAOYSA-N 0 1 295.342 3.660 20 0 CHADMN COc1ccc(C(C)=O)c(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175527604 1121370196 /nfs/dbraw/zinc/37/01/96/1121370196.db2.gz RASRWQJEZORZAG-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN CC(C)CCCN1CCCC[C@H]1C(=O)OC(C)(C)C ZINC001175587607 1121373306 /nfs/dbraw/zinc/37/33/06/1121373306.db2.gz XAXWIIFWTOKQFW-AWEZNQCLSA-N 0 1 269.429 3.619 20 0 CHADMN Cc1noc([C@H](C)N2CCC[C@@H](C3CCCCC3)C2)n1 ZINC000662201579 1121374094 /nfs/dbraw/zinc/37/40/94/1121374094.db2.gz NHBREHQFELWWSX-SWLSCSKDSA-N 0 1 277.412 3.731 20 0 CHADMN CCc1ccc(Cl)cc1NC1=CCCN(C)C1 ZINC001175582812 1121374190 /nfs/dbraw/zinc/37/41/90/1121374190.db2.gz MUDUBTUGAKLRSX-UHFFFAOYSA-N 0 1 250.773 3.534 20 0 CHADMN Clc1ccc(CNCc2ccnn2CC2CCC2)s1 ZINC000631043689 1128981307 /nfs/dbraw/zinc/98/13/07/1128981307.db2.gz WNOCRTSAUQQJLJ-UHFFFAOYSA-N 0 1 295.839 3.688 20 0 CHADMN CCc1nnc([C@H](C)N2CCC[C@@H](C3CCCCC3)C2)o1 ZINC000662203508 1121377598 /nfs/dbraw/zinc/37/75/98/1121377598.db2.gz XYNRTEDARMZNLX-DZGCQCFKSA-N 0 1 291.439 3.985 20 0 CHADMN CCc1ccc(N[C@@H](c2nnc[nH]2)c2ccccc2)cc1C ZINC000675899088 1121378155 /nfs/dbraw/zinc/37/81/55/1121378155.db2.gz BVOYZLNFLRFHGN-QGZVFWFLSA-N 0 1 292.386 3.877 20 0 CHADMN Clc1ccc(N[C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000675895067 1121378585 /nfs/dbraw/zinc/37/85/85/1121378585.db2.gz CMJZIUMIXYJHDY-AWEZNQCLSA-N 0 1 284.750 3.660 20 0 CHADMN Cc1noc(C)c1CNCc1ccc(CC(F)(F)F)cc1 ZINC000631054753 1128981873 /nfs/dbraw/zinc/98/18/73/1128981873.db2.gz YXRLBGHGEIPPNP-UHFFFAOYSA-N 0 1 298.308 3.686 20 0 CHADMN Cc1ncsc1CCCN[C@@H](CF)c1ccc(F)cc1 ZINC001175560884 1121386958 /nfs/dbraw/zinc/38/69/58/1121386958.db2.gz QBBBJINCKUIXHA-AWEZNQCLSA-N 0 1 296.386 3.824 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2csc(C3CC3)n2)C1 ZINC000429587939 1121390103 /nfs/dbraw/zinc/39/01/03/1121390103.db2.gz FWJWUQFONUBRGM-GWCFXTLKSA-N 0 1 250.411 3.641 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2csc(C3CC3)n2)C1 ZINC000429587939 1121390094 /nfs/dbraw/zinc/39/00/94/1121390094.db2.gz FWJWUQFONUBRGM-GWCFXTLKSA-N 0 1 250.411 3.641 20 0 CHADMN CN1CCC=C(Nc2ccccc2SC(F)(F)F)C1 ZINC001175575869 1121393800 /nfs/dbraw/zinc/39/38/00/1121393800.db2.gz CMKHRNUUWNAJPC-UHFFFAOYSA-N 0 1 288.338 3.930 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2)C2CCCC2)nn1C ZINC000676038697 1121399152 /nfs/dbraw/zinc/39/91/52/1121399152.db2.gz ALXLZBWDMFGWPF-GOSISDBHSA-N 0 1 283.419 3.750 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1Cc1nc2ccccc2c(=O)[nH]1 ZINC000676041666 1121399534 /nfs/dbraw/zinc/39/95/34/1121399534.db2.gz KXEPQNKPHHOIFD-CZUORRHYSA-N 0 1 299.418 3.736 20 0 CHADMN CC[C@@]1(C)CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000536235828 1121400870 /nfs/dbraw/zinc/40/08/70/1121400870.db2.gz ZKFUSFPPUGDRJS-KRWDZBQOSA-N 0 1 289.423 3.720 20 0 CHADMN C[C@@H](NCc1ccc(F)cc1)c1cc2cnccc2o1 ZINC001175638153 1121404235 /nfs/dbraw/zinc/40/42/35/1121404235.db2.gz IGTOVJBZFYNPBA-LLVKDONJSA-N 0 1 270.307 3.818 20 0 CHADMN CCCN(C)Cc1cc(-c2ccccc2Cl)on1 ZINC000419196497 1121409302 /nfs/dbraw/zinc/40/93/02/1121409302.db2.gz WTXKAVZFKQZTDA-UHFFFAOYSA-N 0 1 264.756 3.837 20 0 CHADMN CC[C@H](NCc1ccc(C(F)F)nc1)c1ccncc1 ZINC000631080603 1128983638 /nfs/dbraw/zinc/98/36/38/1128983638.db2.gz SJLJFGOSYZOGBQ-ZDUSSCGKSA-N 0 1 277.318 3.655 20 0 CHADMN COc1ccc2[nH]cc(CCNc3cccc(C)n3)c2c1 ZINC000676197931 1121413713 /nfs/dbraw/zinc/41/37/13/1121413713.db2.gz XCELCVMEELJFDJ-UHFFFAOYSA-N 0 1 281.359 3.535 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cncc(Cl)c3)cc12 ZINC001175694963 1121415243 /nfs/dbraw/zinc/41/52/43/1121415243.db2.gz CMRYVMPVUGWGRS-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(O)c(C)c3)cc12 ZINC001175698735 1121416348 /nfs/dbraw/zinc/41/63/48/1121416348.db2.gz CZNZXLNLDKFBMX-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COCCOc1cccc(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175699701 1121417663 /nfs/dbraw/zinc/41/76/63/1121417663.db2.gz BRHYWMXZHRSGJX-UHFFFAOYSA-N 0 1 297.358 3.640 20 0 CHADMN COC(=O)c1ccc(Nc2ccc3n[nH]c(C)c3c2)c(F)c1 ZINC001175700366 1121417806 /nfs/dbraw/zinc/41/78/06/1121417806.db2.gz ZOCNUAQHISZOQV-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1cc(Nc2ccc3n[nH]c(C)c3c2)n(C2CCC2)n1 ZINC001175699577 1121417812 /nfs/dbraw/zinc/41/78/12/1121417812.db2.gz SKBIIWMFXBMTJC-UHFFFAOYSA-N 0 1 281.363 3.845 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4cnncc43)cc21 ZINC001175700198 1121417892 /nfs/dbraw/zinc/41/78/92/1121417892.db2.gz GZOTVFXAORRSME-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1[nH]nc2ccc(Nc3c(N)ccc(C)c3C)cc12 ZINC001175699849 1121417901 /nfs/dbraw/zinc/41/79/01/1121417901.db2.gz UHFKEQCBTFSTDU-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN Cc1[nH]nc2ccc(Nc3c(O)cccc3Cl)cc12 ZINC001175700668 1121418164 /nfs/dbraw/zinc/41/81/64/1121418164.db2.gz RDQDFRURDLVWIP-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(C(F)F)cn3)cc12 ZINC001175699464 1121418193 /nfs/dbraw/zinc/41/81/93/1121418193.db2.gz PEKMFJHLYNSYCF-UHFFFAOYSA-N 0 1 274.274 3.948 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(F)cc(N)c3Cl)cc12 ZINC001175702824 1121422116 /nfs/dbraw/zinc/42/21/16/1121422116.db2.gz RFFRHXACXMFNLI-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN Cc1ccc(F)cc1NCc1[nH]nc2ccccc21 ZINC000676316269 1121422895 /nfs/dbraw/zinc/42/28/95/1121422895.db2.gz DOHJYGDAYHXYJG-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(=O)[nH]c4ccccc34)ccc12 ZINC001175657433 1121423557 /nfs/dbraw/zinc/42/35/57/1121423557.db2.gz SPSUQWJWXVSWPE-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN COc1cncc(CN[C@H](C)c2ccc(C)c(F)c2)c1C ZINC000631087865 1128984431 /nfs/dbraw/zinc/98/44/31/1128984431.db2.gz FYNNHGKOLVISOC-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN Cc1[nH]nc2cc(Nc3cn(CC4CCC4)cn3)ccc12 ZINC001175660170 1121424315 /nfs/dbraw/zinc/42/43/15/1121424315.db2.gz LSKOHKSDLKKHJQ-UHFFFAOYSA-N 0 1 281.363 3.612 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccnc(C(C)(C)C)n3)ccc21 ZINC001175661196 1121424434 /nfs/dbraw/zinc/42/44/34/1121424434.db2.gz DLTCZGGCTLCNCV-UHFFFAOYSA-N 0 1 281.363 3.702 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4ocnc4c3)ccc12 ZINC001175661428 1121424579 /nfs/dbraw/zinc/42/45/79/1121424579.db2.gz LLCJVOILKNOCEM-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1[nH]nc2cc(Nc3cnn(C(C)(C)C)c3)ccc12 ZINC001175660243 1121424590 /nfs/dbraw/zinc/42/45/90/1121424590.db2.gz VGMBAVLBGMAVPJ-UHFFFAOYSA-N 0 1 269.352 3.566 20 0 CHADMN COc1nc(Cl)ccc1Nc1ccc2c(C)[nH]nc2c1 ZINC001175660272 1121424846 /nfs/dbraw/zinc/42/48/46/1121424846.db2.gz OBFILLHWMNBUAA-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc([C@@H](C)O)c3)ccc12 ZINC001175661605 1121424886 /nfs/dbraw/zinc/42/48/86/1121424886.db2.gz ONOQXYMHRQQNHP-LLVKDONJSA-N 0 1 267.332 3.668 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(C)c(O)cc3C)ccc12 ZINC001175661214 1121425159 /nfs/dbraw/zinc/42/51/59/1121425159.db2.gz FKNTUGVFYKMMFT-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN COCCOc1ccc(Nc2ccc3c(c2)n[nH]c3C)cc1 ZINC001175661775 1121426043 /nfs/dbraw/zinc/42/60/43/1121426043.db2.gz QYFBQYVYELESQM-UHFFFAOYSA-N 0 1 297.358 3.640 20 0 CHADMN CCOc1ccc(N)cc1Nc1ccc2c(C)[nH]nc2c1 ZINC001175662258 1121426403 /nfs/dbraw/zinc/42/64/03/1121426403.db2.gz BPRAHWKWGSTFOA-UHFFFAOYSA-N 0 1 282.347 3.596 20 0 CHADMN COC(=O)c1ccc(F)cc1Nc1ccc2c(C)[nH]nc2c1 ZINC001175663124 1121427225 /nfs/dbraw/zinc/42/72/25/1121427225.db2.gz USTQLSGMDDOGBE-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(O)ccc3Cl)cc12 ZINC001175702996 1121429111 /nfs/dbraw/zinc/42/91/11/1121429111.db2.gz WJAWZNYQILUBDN-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1[nH]nc2ccc(Nc3c(C)cc(O)cc3C)cc12 ZINC001175702999 1121429184 /nfs/dbraw/zinc/42/91/84/1121429184.db2.gz WNEKZWXAZUYCFC-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN CO[C@]1(C)C[C@@H](N[C@@H](C)c2nc(C)sc2C)C1(C)C ZINC000676493398 1121436180 /nfs/dbraw/zinc/43/61/80/1121436180.db2.gz XONYKLOVLMFJGS-TURKWSHLSA-N 0 1 282.453 3.614 20 0 CHADMN CCCc1ccc(Nc2ccnn2-c2ccncc2)cc1 ZINC001175718029 1121436973 /nfs/dbraw/zinc/43/69/73/1121436973.db2.gz DEMFSTJFXAVKNS-UHFFFAOYSA-N 0 1 278.359 3.963 20 0 CHADMN CCc1onc(C)c1CNCc1cccc(CSC)c1 ZINC000893889299 1121437494 /nfs/dbraw/zinc/43/74/94/1121437494.db2.gz ZKMLOYZFXGFECT-UHFFFAOYSA-N 0 1 290.432 3.698 20 0 CHADMN Cc1noc2ncc(CN3Cc4ccccc4[C@H](C)C3)cc12 ZINC000893905817 1121437925 /nfs/dbraw/zinc/43/79/25/1121437925.db2.gz RMLFOLGBBFNTNT-GFCCVEGCSA-N 0 1 293.370 3.651 20 0 CHADMN CCN(Cc1ccc(Cl)nc1Cl)C1CCC1 ZINC000706764961 1121439480 /nfs/dbraw/zinc/43/94/80/1121439480.db2.gz YCCJDOHSSMVEFG-UHFFFAOYSA-N 0 1 259.180 3.763 20 0 CHADMN FC[C@H]1CCCN(CCc2c(F)cccc2Cl)C1 ZINC001175732981 1121440442 /nfs/dbraw/zinc/44/04/42/1121440442.db2.gz JOKALGLCETYNCU-LLVKDONJSA-N 0 1 273.754 3.703 20 0 CHADMN CCCN(Cc1ocnc1C)[C@@H](C)c1ccccc1OC ZINC000893949686 1121446281 /nfs/dbraw/zinc/44/62/81/1121446281.db2.gz PJFYHYXWMZURAO-AWEZNQCLSA-N 0 1 288.391 3.965 20 0 CHADMN O=C(c1cccc2[nH]cnc21)N1CCC2(CCCCC2)CC1 ZINC000676558634 1121446247 /nfs/dbraw/zinc/44/62/47/1121446247.db2.gz NDEGKWOOAPDQAD-UHFFFAOYSA-N 0 1 297.402 3.749 20 0 CHADMN CC(C)c1cnn2cc(N=C3CCCCC3)cnc12 ZINC001175751323 1121447628 /nfs/dbraw/zinc/44/76/28/1121447628.db2.gz JFGNCJLTRYMIFA-UHFFFAOYSA-N 0 1 256.353 3.723 20 0 CHADMN Cc1scc(CNCc2c(C3CCC3)cnn2C)c1C ZINC000631176252 1128989942 /nfs/dbraw/zinc/98/99/42/1128989942.db2.gz NXNBANMHIJSHSK-UHFFFAOYSA-N 0 1 289.448 3.656 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1ccc(C(F)F)nc1 ZINC000631105768 1128985429 /nfs/dbraw/zinc/98/54/29/1128985429.db2.gz OINIZHZCJJTQQL-NSHDSACASA-N 0 1 277.318 3.573 20 0 CHADMN CCc1ccc(-c2ccc(-n3cncc3N)cc2)cc1 ZINC001175762974 1121457139 /nfs/dbraw/zinc/45/71/39/1121457139.db2.gz RVUVFAOBYPAROE-UHFFFAOYSA-N 0 1 263.344 3.684 20 0 CHADMN Cc1[nH]nc(CN2CCC[C@@H]2c2ccc(F)c(F)c2)c1C ZINC000894025868 1121457528 /nfs/dbraw/zinc/45/75/28/1121457528.db2.gz JBNDCWBMHPHZCW-MRXNPFEDSA-N 0 1 291.345 3.642 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1ccc(C(F)F)nc1 ZINC000631105506 1128985755 /nfs/dbraw/zinc/98/57/55/1128985755.db2.gz NRIMDFGTCZGWNU-LLVKDONJSA-N 0 1 291.345 3.827 20 0 CHADMN Cc1cc(CNC/C=C\c2cc(C)c(C)cc2C)ncn1 ZINC000631102024 1128985761 /nfs/dbraw/zinc/98/57/61/1128985761.db2.gz RRENPODXWGEINR-WAYWQWQTSA-N 0 1 281.403 3.513 20 0 CHADMN C[C@H](CC1CCCCC1)NCc1nnc(C2CC2)s1 ZINC000894088463 1121467551 /nfs/dbraw/zinc/46/75/51/1121467551.db2.gz HEJLRSSTBQYJBT-LLVKDONJSA-N 0 1 279.453 3.864 20 0 CHADMN O=c1cc(Nc2ccc(-c3ccccc3)nc2)nc(Cl)[nH]1 ZINC001175832424 1121469072 /nfs/dbraw/zinc/46/90/72/1121469072.db2.gz BJXVGJMBDUTFCQ-UHFFFAOYSA-N 0 1 298.733 3.641 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000385251185 1128986555 /nfs/dbraw/zinc/98/65/55/1128986555.db2.gz NTSISLZCZFNLFH-GRDNDAEWSA-N 0 1 289.419 3.914 20 0 CHADMN CCC[C@@H](N[C@H](C)c1cn(C)cn1)c1ccccc1 ZINC000709948431 1121472197 /nfs/dbraw/zinc/47/21/97/1121472197.db2.gz DWAMFXNQNFOBAT-UKRRQHHQSA-N 0 1 257.381 3.612 20 0 CHADMN Cc1ccc([C@H](N[C@H](C)c2cn(C)cn2)C2CC2)cc1 ZINC000710145144 1121473331 /nfs/dbraw/zinc/47/33/31/1121473331.db2.gz FMXMNBAJGCPPCZ-DYVFJYSZSA-N 0 1 269.392 3.530 20 0 CHADMN Cc1ccc([C@@H](N[C@@H](C)c2cn(C)cn2)C2CC2)cc1 ZINC000710145151 1121473485 /nfs/dbraw/zinc/47/34/85/1121473485.db2.gz FMXMNBAJGCPPCZ-SUMWQHHRSA-N 0 1 269.392 3.530 20 0 CHADMN COc1cccc(Nc2nnc(C(C)(C)C)o2)c1Cl ZINC001175893382 1121478267 /nfs/dbraw/zinc/47/82/67/1121478267.db2.gz CCQDUPHRUPVZGH-UHFFFAOYSA-N 0 1 281.743 3.773 20 0 CHADMN CCCN(Cc1n[nH]c(C(C)(C)C)n1)Cc1ccccc1 ZINC000432929781 1121484498 /nfs/dbraw/zinc/48/44/98/1121484498.db2.gz SZMVRINWTFPXCC-UHFFFAOYSA-N 0 1 286.423 3.514 20 0 CHADMN COc1cc(Nc2cccc3c2ccn3C)ncc1C ZINC001175866730 1121485640 /nfs/dbraw/zinc/48/56/40/1121485640.db2.gz ZMHPPXRBBWPNFR-UHFFFAOYSA-N 0 1 267.332 3.634 20 0 CHADMN CC(C)Oc1ccc(Nc2ccncc2)cc1Cl ZINC001175869588 1121486204 /nfs/dbraw/zinc/48/62/04/1121486204.db2.gz WFLBDSDRUQKHDK-UHFFFAOYSA-N 0 1 262.740 3.688 20 0 CHADMN Cc1cnc(C2CCN(Cc3ccccc3F)CC2)s1 ZINC000432949855 1121489924 /nfs/dbraw/zinc/48/99/24/1121489924.db2.gz NBEIGWQTAXHTMU-UHFFFAOYSA-N 0 1 290.407 3.970 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@@H]1COc2ccc(F)cc21 ZINC000467000905 1121489903 /nfs/dbraw/zinc/48/99/03/1121489903.db2.gz BIRORPNFYDQIBW-MLGOLLRUSA-N 0 1 271.335 3.918 20 0 CHADMN FC(F)(F)C1CCC(CN2Cc3cccnc3C2)CC1 ZINC000644933374 1121491757 /nfs/dbraw/zinc/49/17/57/1121491757.db2.gz NTGIJFHMNHTQFD-UHFFFAOYSA-N 0 1 284.325 3.766 20 0 CHADMN FC1(F)CCCN(Cc2nsc3ccccc32)CC1 ZINC000625772555 1121492357 /nfs/dbraw/zinc/49/23/57/1121492357.db2.gz PZSQNNLFCIWDHF-UHFFFAOYSA-N 0 1 282.359 3.918 20 0 CHADMN Cc1c(Cl)cccc1CNCc1cc(C2CC2)nn1C ZINC000922947370 1121495794 /nfs/dbraw/zinc/49/57/94/1121495794.db2.gz MLAVMMCGTBTQHK-UHFFFAOYSA-N 0 1 289.810 3.549 20 0 CHADMN COc1cc(Nc2ccc3scnc3c2)ncc1C ZINC001175912555 1121496969 /nfs/dbraw/zinc/49/69/69/1121496969.db2.gz SBDIKDVVYFAHJN-UHFFFAOYSA-N 0 1 271.345 3.752 20 0 CHADMN CC[C@@H]1CCN1Cc1ccc(C)c(Br)c1 ZINC000429274392 1121498025 /nfs/dbraw/zinc/49/80/25/1121498025.db2.gz PDLGENCKDBTQOR-GFCCVEGCSA-N 0 1 268.198 3.742 20 0 CHADMN CCc1onc(C)c1CNCc1ccc(SC)s1 ZINC000922983357 1121503153 /nfs/dbraw/zinc/50/31/53/1121503153.db2.gz LHIHJRUTBUKRFQ-UHFFFAOYSA-N 0 1 282.434 3.619 20 0 CHADMN CCc1onc(C)c1CNCc1ccc2c(c1)CCCC2 ZINC000922982356 1121504960 /nfs/dbraw/zinc/50/49/60/1121504960.db2.gz AQMIBBIUOPTQOV-UHFFFAOYSA-N 0 1 284.403 3.714 20 0 CHADMN CCCc1ccc(CNCc2c(C)noc2CC)cc1 ZINC000922987513 1121505142 /nfs/dbraw/zinc/50/51/42/1121505142.db2.gz KKOBPYHUTSKLBU-UHFFFAOYSA-N 0 1 272.392 3.788 20 0 CHADMN Cc1scc(CN[C@@H](CCO)c2ccccc2F)c1C ZINC000631166075 1128988743 /nfs/dbraw/zinc/98/87/43/1128988743.db2.gz FOPRVYFFXDPGPX-INIZCTEOSA-N 0 1 293.407 3.717 20 0 CHADMN CC1CC(N[C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)C1 ZINC000543601042 1121508219 /nfs/dbraw/zinc/50/82/19/1121508219.db2.gz DMXQGUPPIZWWKO-HFLCMSJXSA-N 0 1 289.810 3.551 20 0 CHADMN CC(C)[C@@H]1COCCN1Cc1ccc(C(F)(F)F)cc1 ZINC001204164847 1121508886 /nfs/dbraw/zinc/50/88/86/1121508886.db2.gz ZJNLTHLULHMUHU-AWEZNQCLSA-N 0 1 287.325 3.562 20 0 CHADMN C[C@@H]1CCCN(Cc2nc3cc(Cl)ccc3n2C)[C@@H]1C ZINC000512652076 1121509581 /nfs/dbraw/zinc/50/95/81/1121509581.db2.gz HVJBHDUAYWBVSC-VXGBXAGGSA-N 0 1 291.826 3.847 20 0 CHADMN CCCc1c(C)[nH]n(-c2ccccc2Br)c1=O ZINC000614184541 1121509710 /nfs/dbraw/zinc/50/97/10/1121509710.db2.gz BUXOAQIABWPHQS-SNVBAGLBSA-N 0 1 295.180 3.588 20 0 CHADMN CCCc1c(C)[nH]n(-c2cccc(Br)c2)c1=O ZINC000614184644 1121509815 /nfs/dbraw/zinc/50/98/15/1121509815.db2.gz BQKSWZWRPHLGKZ-GFCCVEGCSA-N 0 1 295.180 3.588 20 0 CHADMN C[C@H]1CCCN(Cc2nc3ccc(Cl)cc3n2C)[C@H]1C ZINC000512652339 1121510213 /nfs/dbraw/zinc/51/02/13/1121510213.db2.gz MCVBZJOXBMYISB-RYUDHWBXSA-N 0 1 291.826 3.847 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNC2([C@H]3CCCCO3)CC2)o1 ZINC000923028006 1121512186 /nfs/dbraw/zinc/51/21/86/1121512186.db2.gz REWQIHLRKNPJOY-IVMMDQJWSA-N 0 1 275.392 3.594 20 0 CHADMN COc1cc(Cl)ccc1CN1CCC[C@@H](CSC)C1 ZINC000429288851 1121512714 /nfs/dbraw/zinc/51/27/14/1121512714.db2.gz CINXOZBUUHPRSB-GFCCVEGCSA-N 0 1 299.867 3.924 20 0 CHADMN Cc1ccc2nc(Nc3ccc4nn[nH]c4c3)ccc2c1 ZINC001175996033 1121513210 /nfs/dbraw/zinc/51/32/10/1121513210.db2.gz LPZWWJSZSIPPBP-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1ccc2nc(Nc3ccc4n[nH]nc4c3)ccc2c1 ZINC001175996033 1121513217 /nfs/dbraw/zinc/51/32/17/1121513217.db2.gz LPZWWJSZSIPPBP-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN CCC[C@H](C)c1cc(Nc2ccc3nn[nH]c3c2)on1 ZINC001175996061 1121513765 /nfs/dbraw/zinc/51/37/65/1121513765.db2.gz MZFPDUKMLFWDQP-VIFPVBQESA-N 0 1 271.324 3.593 20 0 CHADMN CCC[C@H](C)c1cc(Nc2ccc3n[nH]nc3c2)on1 ZINC001175996061 1121513768 /nfs/dbraw/zinc/51/37/68/1121513768.db2.gz MZFPDUKMLFWDQP-VIFPVBQESA-N 0 1 271.324 3.593 20 0 CHADMN Cc1ccc([C@H](NCc2ccc3c(c2)OCO3)C2CCC2)o1 ZINC000543605034 1121514078 /nfs/dbraw/zinc/51/40/78/1121514078.db2.gz IQYWBMQBLBULEH-GOSISDBHSA-N 0 1 299.370 3.948 20 0 CHADMN CCC[C@@H]1C(=O)N(c2nc(-c3ccccc3)cs2)N=C1C ZINC000614186281 1121515485 /nfs/dbraw/zinc/51/54/85/1121515485.db2.gz XVQPRABCSHABGT-ZDUSSCGKSA-N 0 1 299.399 3.949 20 0 CHADMN CC(C)(F)CNCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000631188771 1128990516 /nfs/dbraw/zinc/99/05/16/1128990516.db2.gz GGXILNHTNMSBIP-UHFFFAOYSA-N 0 1 297.267 3.605 20 0 CHADMN CCC[C@@H]1C(=O)N(c2ncc(Cl)cc2Cl)N=C1C ZINC000614185703 1121515966 /nfs/dbraw/zinc/51/59/66/1121515966.db2.gz WCKSAVGEJFWJMD-VIFPVBQESA-N 0 1 286.162 3.527 20 0 CHADMN Clc1sccc1CNC1([C@H]2CCCCO2)CC1 ZINC000923031807 1121515967 /nfs/dbraw/zinc/51/59/67/1121515967.db2.gz YFNLXZHRVAWRML-LLVKDONJSA-N 0 1 271.813 3.593 20 0 CHADMN Cc1ccc(Cl)c(Nc2ccc3nn[nH]c3c2)c1 ZINC001176002315 1121518107 /nfs/dbraw/zinc/51/81/07/1121518107.db2.gz KWMKIIODKDBSIO-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1ccc(Cl)c(Nc2ccc3n[nH]nc3c2)c1 ZINC001176002315 1121518110 /nfs/dbraw/zinc/51/81/10/1121518110.db2.gz KWMKIIODKDBSIO-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1ncsc1CCN(C)[C@H](C)c1c(F)cccc1F ZINC000509296217 1121518660 /nfs/dbraw/zinc/51/86/60/1121518660.db2.gz YBYTXAAPVJZHPW-LLVKDONJSA-N 0 1 296.386 3.965 20 0 CHADMN Clc1cccc2c(Nc3ccc4nn[nH]c4c3)ccnc12 ZINC001175998689 1121519494 /nfs/dbraw/zinc/51/94/94/1121519494.db2.gz LMRQUXCMDXDUPF-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1cccc2c(Nc3ccc4n[nH]nc4c3)ccnc12 ZINC001175998689 1121519498 /nfs/dbraw/zinc/51/94/98/1121519498.db2.gz LMRQUXCMDXDUPF-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1ccc2c(cncc2Nc2ccc3nn[nH]c3c2)c1 ZINC001176002623 1121519840 /nfs/dbraw/zinc/51/98/40/1121519840.db2.gz ZPXBSXCJGPTISH-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1ccc2c(cncc2Nc2ccc3n[nH]nc3c2)c1 ZINC001176002623 1121519846 /nfs/dbraw/zinc/51/98/46/1121519846.db2.gz ZPXBSXCJGPTISH-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1ncc2ccccc2c1Nc1ccc2nn[nH]c2c1 ZINC001175999160 1121519856 /nfs/dbraw/zinc/51/98/56/1121519856.db2.gz NMWAOTLBNJQMSJ-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1ncc2ccccc2c1Nc1ccc2n[nH]nc2c1 ZINC001175999160 1121519861 /nfs/dbraw/zinc/51/98/61/1121519861.db2.gz NMWAOTLBNJQMSJ-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1ccc(C)c(C)c1 ZINC000429309060 1121520011 /nfs/dbraw/zinc/52/00/11/1121520011.db2.gz MKYJKIIAKHAKNS-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN COc1ccnc([C@@H](C)N[C@H]2CCc3c2cccc3C)c1 ZINC000925370865 1121521408 /nfs/dbraw/zinc/52/14/08/1121521408.db2.gz MTHQDVZQGYHHDA-DYVFJYSZSA-N 0 1 282.387 3.737 20 0 CHADMN Fc1ccc(Nc2ccc3nn[nH]c3c2)cc1C1CC1 ZINC001176003073 1121521550 /nfs/dbraw/zinc/52/15/50/1121521550.db2.gz BMLNPLRWNAFUSL-UHFFFAOYSA-N 0 1 268.295 3.718 20 0 CHADMN Fc1ccc(Nc2ccc3n[nH]nc3c2)cc1C1CC1 ZINC001176003073 1121521553 /nfs/dbraw/zinc/52/15/53/1121521553.db2.gz BMLNPLRWNAFUSL-UHFFFAOYSA-N 0 1 268.295 3.718 20 0 CHADMN CC1(C)CCc2cc(Nc3ccc4nn[nH]c4c3)ccc2O1 ZINC001176005786 1121521697 /nfs/dbraw/zinc/52/16/97/1121521697.db2.gz ZTBWPCVREBBCBS-UHFFFAOYSA-N 0 1 294.358 3.805 20 0 CHADMN CC1(C)CCc2cc(Nc3ccc4n[nH]nc4c3)ccc2O1 ZINC001176005786 1121521702 /nfs/dbraw/zinc/52/17/02/1121521702.db2.gz ZTBWPCVREBBCBS-UHFFFAOYSA-N 0 1 294.358 3.805 20 0 CHADMN c1cc(Nc2ccc3nn[nH]c3c2)cc(C2CC2)c1 ZINC001176003882 1121521830 /nfs/dbraw/zinc/52/18/30/1121521830.db2.gz VHEVFPZKLSVJMJ-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN c1cc(Nc2ccc3n[nH]nc3c2)cc(C2CC2)c1 ZINC001176003882 1121521838 /nfs/dbraw/zinc/52/18/38/1121521838.db2.gz VHEVFPZKLSVJMJ-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN CC[C@@](C)(NCc1ccc(C)cn1)c1ccc(F)cc1 ZINC000631195604 1128991088 /nfs/dbraw/zinc/99/10/88/1128991088.db2.gz ZLYHRFRANYUYHC-QGZVFWFLSA-N 0 1 272.367 3.944 20 0 CHADMN Fc1c(Cl)c(Br)ccc1Nc1ncc[nH]1 ZINC001176083996 1121533385 /nfs/dbraw/zinc/53/33/85/1121533385.db2.gz CFJWDOWJKYPVFQ-UHFFFAOYSA-N 0 1 290.523 3.708 20 0 CHADMN Clc1cccc(Br)c1Nc1ncc[nH]1 ZINC001176082584 1121534054 /nfs/dbraw/zinc/53/40/54/1121534054.db2.gz FAAQIRIZIBMTEL-UHFFFAOYSA-N 0 1 272.533 3.569 20 0 CHADMN FC(F)(F)SCCN1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001176086837 1121535290 /nfs/dbraw/zinc/53/52/90/1121535290.db2.gz NIOVQDQCEVGCRY-OLZOCXBDSA-N 0 1 287.350 3.513 20 0 CHADMN CC(=O)c1cc(Cl)c(Nc2ncc[nH]2)c(Cl)c1 ZINC001176084888 1121535374 /nfs/dbraw/zinc/53/53/74/1121535374.db2.gz TXQBQDRGVPTOIS-UHFFFAOYSA-N 0 1 270.119 3.663 20 0 CHADMN Cc1nocc1CNCc1c(C)cc(Cl)cc1C ZINC000631208677 1128992220 /nfs/dbraw/zinc/99/22/20/1128992220.db2.gz LDYQOUATFXQYKB-UHFFFAOYSA-N 0 1 264.756 3.543 20 0 CHADMN CSC1(CN[C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000433052913 1121539101 /nfs/dbraw/zinc/53/91/01/1121539101.db2.gz NFEWRPLIKZLISS-ZETCQYMHSA-N 0 1 296.383 3.708 20 0 CHADMN CN(CCc1ccc(Cl)cc1)Cc1nc2ccccc2[nH]1 ZINC000512701349 1121539258 /nfs/dbraw/zinc/53/92/58/1121539258.db2.gz NBMXUQOCYFRJPO-UHFFFAOYSA-N 0 1 299.805 3.891 20 0 CHADMN CC(C)n1ccnc1CN1CCC[C@@H](c2ccccc2)C1 ZINC000433053549 1121541089 /nfs/dbraw/zinc/54/10/89/1121541089.db2.gz PXBNSBQOUHHENR-QGZVFWFLSA-N 0 1 283.419 3.844 20 0 CHADMN Cc1ncccc1CN1Cc2ccccc2OC2(CCC2)C1 ZINC001176053600 1121541361 /nfs/dbraw/zinc/54/13/61/1121541361.db2.gz YAVVHQRAQFDUAZ-UHFFFAOYSA-N 0 1 294.398 3.707 20 0 CHADMN CC(C)(C)c1nc(CNC[C@@H]2CCC3(CCC3)O2)cs1 ZINC000711484099 1121541497 /nfs/dbraw/zinc/54/14/97/1121541497.db2.gz IJTVEHDHDFATIT-ZDUSSCGKSA-N 0 1 294.464 3.632 20 0 CHADMN COc1cccc2[nH]c(Nc3cc(C)cc(C)n3)cc21 ZINC001176059162 1121543559 /nfs/dbraw/zinc/54/35/59/1121543559.db2.gz BLXRIAHFQKXKRX-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN CC(C)Cc1noc(CN2CCC[C@H](c3ccccc3)C2)n1 ZINC000433067827 1121547434 /nfs/dbraw/zinc/54/74/34/1121547434.db2.gz MKAHWFLFSMIAIT-INIZCTEOSA-N 0 1 299.418 3.648 20 0 CHADMN Cc1ccc(CN(CCCC(C)C)Cc2cnc[nH]2)o1 ZINC001176138433 1121548296 /nfs/dbraw/zinc/54/82/96/1121548296.db2.gz XCYDKHFCAVYSJD-UHFFFAOYSA-N 0 1 275.396 3.750 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cc(F)c(F)c(F)c2)s1 ZINC000631224059 1128993093 /nfs/dbraw/zinc/99/30/93/1128993093.db2.gz LXWKVFSIYLUXEJ-SSDOTTSWSA-N 0 1 286.322 3.720 20 0 CHADMN COc1ccnc([C@@H](C)N[C@@H]2CCc3ccc(C)cc32)c1 ZINC000925373488 1121556261 /nfs/dbraw/zinc/55/62/61/1121556261.db2.gz DZYSGUBRSIQFDO-CXAGYDPISA-N 0 1 282.387 3.737 20 0 CHADMN CCc1cnc(CNC/C(C)=C\c2ccccc2)s1 ZINC000254966251 1128993792 /nfs/dbraw/zinc/99/37/92/1128993792.db2.gz IQTJNGMKNVDSAT-LCYFTJDESA-N 0 1 272.417 3.899 20 0 CHADMN CCCOc1c(Cl)cc(-n2cncc2N)cc1Cl ZINC001176185380 1121567283 /nfs/dbraw/zinc/56/72/83/1121567283.db2.gz NEPSWZDWMVRKBF-UHFFFAOYSA-N 0 1 286.162 3.550 20 0 CHADMN FCC[C@@H]1CN(C(c2ccccc2)c2ccccc2)CCO1 ZINC000626000293 1121572018 /nfs/dbraw/zinc/57/20/18/1121572018.db2.gz NFFQZKGYZILROD-GOSISDBHSA-N 0 1 299.389 3.836 20 0 CHADMN CSc1ccc(CNCc2ccc(C)o2)s1 ZINC000631243262 1128994427 /nfs/dbraw/zinc/99/44/27/1128994427.db2.gz YDWDMOCNKIHVLQ-UHFFFAOYSA-N 0 1 253.392 3.661 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)N1CCO[C@H](CCF)C1 ZINC000626002838 1121572479 /nfs/dbraw/zinc/57/24/79/1121572479.db2.gz VPJFHSFPSPMQQV-RDTXWAMCSA-N 0 1 287.378 3.961 20 0 CHADMN C[C@@H](CCSc1ccccc1)N1CCO[C@@H](CCF)C1 ZINC000626004440 1121573601 /nfs/dbraw/zinc/57/36/01/1121573601.db2.gz HVPPYQDWOZOCSK-GJZGRUSLSA-N 0 1 297.439 3.618 20 0 CHADMN Fc1cnc(F)c(F)c1N=CCCc1ccccc1 ZINC001176216322 1121575334 /nfs/dbraw/zinc/57/53/34/1121575334.db2.gz FYDBFNXZDDCFKC-XBXARRHUSA-N 0 1 264.250 3.667 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC[C@H]2CCC[C@H](C)C2)C1 ZINC000923470290 1121575397 /nfs/dbraw/zinc/57/53/97/1121575397.db2.gz LSJBIEVJTUTDSZ-UXLLHSPISA-N 0 1 281.440 3.780 20 0 CHADMN CC1(C)C[C@H](N2CCc3cccc(C(F)(F)F)c3C2)CO1 ZINC000626009153 1121576008 /nfs/dbraw/zinc/57/60/08/1121576008.db2.gz ZNCSEGSQQNBOSU-LBPRGKRZSA-N 0 1 299.336 3.631 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000923468534 1121577422 /nfs/dbraw/zinc/57/74/22/1121577422.db2.gz BGEXJGHOYMHDFV-YOEHRIQHSA-N 0 1 281.440 3.780 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626014939 1121577725 /nfs/dbraw/zinc/57/77/25/1121577725.db2.gz AGWWYTINDVPCOQ-MQIPJXDCSA-N 0 1 297.801 3.635 20 0 CHADMN COCC[C@@H](c1ccccc1)N1Cc2cccc(OC)c2C1 ZINC000626023148 1121580910 /nfs/dbraw/zinc/58/09/10/1121580910.db2.gz YNPNQENSUVXHSN-SFHVURJKSA-N 0 1 297.398 3.789 20 0 CHADMN Cc1nc(CN[C@H]2C[C@H](Sc3ccccc3)C2)cs1 ZINC000631251074 1128994904 /nfs/dbraw/zinc/99/49/04/1128994904.db2.gz GUGVLTYMYIZQFC-NNUKFRKNSA-N 0 1 290.457 3.864 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1cc(C(F)(F)F)nn1C ZINC000631248391 1128995144 /nfs/dbraw/zinc/99/51/44/1128995144.db2.gz LPMOGQMOQBHKEN-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN CC(C)C[C@H]1CCN(Cc2cc(-c3ccco3)on2)C1 ZINC000466736996 1121588251 /nfs/dbraw/zinc/58/82/51/1121588251.db2.gz BSTUFRKOKIMEBB-CYBMUJFWSA-N 0 1 274.364 3.803 20 0 CHADMN C[NH+](C)Cc1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001176291896 1121590473 /nfs/dbraw/zinc/59/04/73/1121590473.db2.gz MSCDFTIIHYLOLS-UHFFFAOYSA-N 0 1 294.757 3.990 20 0 CHADMN CCc1ccc(CNC(C)(C)c2cccs2)nc1 ZINC000411525145 1121600348 /nfs/dbraw/zinc/60/03/48/1121600348.db2.gz CCTMFHHZCQCSAP-UHFFFAOYSA-N 0 1 260.406 3.730 20 0 CHADMN COc1cc(Nc2ccc(O)cc2C(F)(F)F)ncc1C ZINC001176339220 1121601302 /nfs/dbraw/zinc/60/13/02/1121601302.db2.gz SDGDIVOFNKIWJT-UHFFFAOYSA-N 0 1 298.264 3.867 20 0 CHADMN Cc1cnc([C@H](C)N[C@H]2C[C@H]2c2cccc(F)c2)s1 ZINC000411544273 1121605348 /nfs/dbraw/zinc/60/53/48/1121605348.db2.gz UDPWEGSRWMBAAA-BPNCWPANSA-N 0 1 276.380 3.797 20 0 CHADMN CCN(c1ccc(N[C@@H](C)c2nccn2C)cc1)C(C)C ZINC000182772877 1128996928 /nfs/dbraw/zinc/99/69/28/1128996928.db2.gz DQRYAHGSQOUWRN-AWEZNQCLSA-N 0 1 286.423 3.828 20 0 CHADMN COc1cccc2c1CCC[C@@H]2N[C@@H](C)c1ccccn1 ZINC000194832129 1121615828 /nfs/dbraw/zinc/61/58/28/1121615828.db2.gz NKJSDWCWFAKSCS-GUYCJALGSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1ccc(CN2CC[C@H](COC(F)F)C2)c(Cl)c1 ZINC000512835373 1121616441 /nfs/dbraw/zinc/61/64/41/1121616441.db2.gz WMPASURRIHVGGR-NSHDSACASA-N 0 1 289.753 3.710 20 0 CHADMN CCn1cnc2c1CCN(CCC1C[C@H](C)C[C@@H](C)C1)C2 ZINC001176432050 1121619973 /nfs/dbraw/zinc/61/99/73/1121619973.db2.gz LZAYXKCFTJLIHL-HUUCEWRRSA-N 0 1 289.467 3.724 20 0 CHADMN CC[N@@H+](CCCSCC(C)C)Cc1ccoc1 ZINC000611032507 1121626015 /nfs/dbraw/zinc/62/60/15/1121626015.db2.gz UKFDKLKXIIIYJX-UHFFFAOYSA-N 0 1 255.427 3.881 20 0 CHADMN CCc1cccc(NC(=O)c2cn[nH]c2C2CC2)c1CC ZINC000489498342 1121633733 /nfs/dbraw/zinc/63/37/33/1121633733.db2.gz JMRWCPLKLABMGS-UHFFFAOYSA-N 0 1 283.375 3.664 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2ccc(C)cc2)on1 ZINC000052009765 1121647277 /nfs/dbraw/zinc/64/72/77/1121647277.db2.gz DOCDFXSIAQSKFA-OAHLLOKOSA-N 0 1 256.349 3.629 20 0 CHADMN FC(F)(F)c1cnc(CN[C@@H]2CCC23CCCC3)s1 ZINC000433333442 1121649716 /nfs/dbraw/zinc/64/97/16/1121649716.db2.gz DKUUUAVIFFKGQR-SECBINFHSA-N 0 1 290.354 3.974 20 0 CHADMN CSCc1cnc(CN2CCC[C@@H](C(C)C)C2)s1 ZINC000512991758 1121660445 /nfs/dbraw/zinc/66/04/45/1121660445.db2.gz GVEGKRLAJPRKTP-GFCCVEGCSA-N 0 1 284.494 3.874 20 0 CHADMN Fc1ccc(C[N@H+]2CCCOCC2)cc1-c1cccs1 ZINC000510470525 1121667983 /nfs/dbraw/zinc/66/79/83/1121667983.db2.gz CLHUWPQTFLHREU-UHFFFAOYSA-N 0 1 291.391 3.777 20 0 CHADMN Fc1ccc(CN2CCCOCC2)cc1-c1cccs1 ZINC000510470525 1121667987 /nfs/dbraw/zinc/66/79/87/1121667987.db2.gz CLHUWPQTFLHREU-UHFFFAOYSA-N 0 1 291.391 3.777 20 0 CHADMN CC(C)Cn1ncnc1C[N@@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419338767 1121668257 /nfs/dbraw/zinc/66/82/57/1121668257.db2.gz SWEIGGWMPVRWGS-GJZGRUSLSA-N 0 1 292.471 3.581 20 0 CHADMN CC(C)Cn1ncnc1CN(C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419338767 1121668261 /nfs/dbraw/zinc/66/82/61/1121668261.db2.gz SWEIGGWMPVRWGS-GJZGRUSLSA-N 0 1 292.471 3.581 20 0 CHADMN CCOc1cc(Nc2nc(C(C)(C)C)ns2)c(F)cn1 ZINC001176600837 1121668601 /nfs/dbraw/zinc/66/86/01/1121668601.db2.gz LARDXSNQMUKPSB-UHFFFAOYSA-N 0 1 296.371 3.512 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)N(Cc2cn3ccsc3n2)C1 ZINC000513262101 1121676048 /nfs/dbraw/zinc/67/60/48/1121676048.db2.gz QWBSRYNQMLUCCR-BBRMVZONSA-N 0 1 297.427 3.979 20 0 CHADMN C[C@H]1[C@@H](C)N(Cc2cncc(C(F)(F)F)c2)C[C@H]1C ZINC000419353202 1121678984 /nfs/dbraw/zinc/67/89/84/1121678984.db2.gz LCZWQXKDPDBLOH-GMTAPVOTSA-N 0 1 272.314 3.577 20 0 CHADMN CCC1CCN([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000052279788 1121681951 /nfs/dbraw/zinc/68/19/51/1121681951.db2.gz ZXYAELXFQPGOMV-NSHDSACASA-N 0 1 291.420 3.981 20 0 CHADMN O=C(Nc1ccc(Cl)cc1)c1ccc(O)c(Cl)c1 ZINC000019839519 1121681971 /nfs/dbraw/zinc/68/19/71/1121681971.db2.gz WVYMTSXNINFHMH-UHFFFAOYSA-N 0 1 282.126 3.951 20 0 CHADMN CCC1CCN([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000052279789 1121682057 /nfs/dbraw/zinc/68/20/57/1121682057.db2.gz ZXYAELXFQPGOMV-LLVKDONJSA-N 0 1 291.420 3.981 20 0 CHADMN CCC1CCN(Cc2cc(-c3ccco3)on2)CC1 ZINC000052279635 1121682654 /nfs/dbraw/zinc/68/26/54/1121682654.db2.gz NBRGFVVFACOWQS-UHFFFAOYSA-N 0 1 260.337 3.557 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)co2)[C@@H]2CCCC[C@@H]21 ZINC001307605287 1121686218 /nfs/dbraw/zinc/68/62/18/1121686218.db2.gz YTYKVZUGLIEQAD-MGPQQGTHSA-N 0 1 276.424 3.983 20 0 CHADMN Cc1nn(C)c(Cl)c1CN(C)C[C@@H](C)c1ccccc1 ZINC000067229126 1121692768 /nfs/dbraw/zinc/69/27/68/1121692768.db2.gz QKFXXZAXYAOAFR-GFCCVEGCSA-N 0 1 291.826 3.617 20 0 CHADMN COc1cccc(C[N@H+]2CC[C@H](C)C[C@@H]2C)c1Cl ZINC001237194805 1129002973 /nfs/dbraw/zinc/00/29/73/1129002973.db2.gz YBUILAXEZNBJSN-RYUDHWBXSA-N 0 1 267.800 3.969 20 0 CHADMN Cc1nc(C)c(CNc2ccc3c(n2)CCCC3)s1 ZINC000712273551 1121700855 /nfs/dbraw/zinc/70/08/55/1121700855.db2.gz DHKCZDZDDLSISZ-UHFFFAOYSA-N 0 1 273.405 3.646 20 0 CHADMN CCC[N@@H+](CCOC)Cc1cccc(Cl)c1Cl ZINC001204181613 1121704012 /nfs/dbraw/zinc/70/40/12/1121704012.db2.gz VRKSDAQPSOQYHL-UHFFFAOYSA-N 0 1 276.207 3.852 20 0 CHADMN CCCN(CCOC)Cc1cccc(Cl)c1Cl ZINC001204181613 1121704015 /nfs/dbraw/zinc/70/40/15/1121704015.db2.gz VRKSDAQPSOQYHL-UHFFFAOYSA-N 0 1 276.207 3.852 20 0 CHADMN Clc1ccccc1CCOc1ccccc1-c1nnc[nH]1 ZINC000165363875 1121705631 /nfs/dbraw/zinc/70/56/31/1121705631.db2.gz OHXJBQQQXBPODS-UHFFFAOYSA-N 0 1 299.761 3.747 20 0 CHADMN Cc1cccc(CN(C)C/C=C/c2ccccc2)n1 ZINC000353747667 1121712963 /nfs/dbraw/zinc/71/29/63/1121712963.db2.gz FXCSKFUUYINGHI-YRNVUSSQSA-N 0 1 252.361 3.535 20 0 CHADMN CCCCC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000614411563 1121713737 /nfs/dbraw/zinc/71/37/37/1121713737.db2.gz OSIJAKSAVGWSBO-UHFFFAOYSA-N 0 1 283.331 3.952 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)cc1 ZINC001177171475 1121715375 /nfs/dbraw/zinc/71/53/75/1121715375.db2.gz OXRNVHZHOIOASY-GXTWGEPZSA-N 0 1 297.402 3.667 20 0 CHADMN Cc1c([C@@H](C)NCc2ccoc2)cnn1-c1ccccc1 ZINC000727469755 1121722665 /nfs/dbraw/zinc/72/26/65/1121722665.db2.gz FNOONYVTXZCSGG-CYBMUJFWSA-N 0 1 281.359 3.625 20 0 CHADMN COCCCCN(C)Cc1nc(-c2ccccc2)oc1C ZINC000419385417 1121726175 /nfs/dbraw/zinc/72/61/75/1121726175.db2.gz HLPBJUDPAYPQFZ-UHFFFAOYSA-N 0 1 288.391 3.508 20 0 CHADMN C[C@@H](c1ccccn1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773659689 1121729030 /nfs/dbraw/zinc/72/90/30/1121729030.db2.gz RGSCAWRJKBQFPK-ZDUSSCGKSA-N 0 1 299.805 3.980 20 0 CHADMN CCSc1ccc([C@@H](C)NC(=O)C(F)(F)F)cc1 ZINC000728975709 1121733486 /nfs/dbraw/zinc/73/34/86/1121733486.db2.gz LQKJVEWMCSLKSD-MRVPVSSYSA-N 0 1 277.311 3.538 20 0 CHADMN COc1ccc(C)cc1CNCc1ccc2[nH]ccc2c1 ZINC001177529955 1121735304 /nfs/dbraw/zinc/73/53/04/1121735304.db2.gz WKSFESKPHIUUIZ-UHFFFAOYSA-N 0 1 280.371 3.775 20 0 CHADMN CCOCCN1CCc2sccc2[C@H]1c1cccs1 ZINC000057626575 1121736780 /nfs/dbraw/zinc/73/67/80/1121736780.db2.gz UVPZAANEXRIHOS-HNNXBMFYSA-N 0 1 293.457 3.794 20 0 CHADMN CCOCCN1CCc2sccc2[C@@H]1c1cccs1 ZINC000057626572 1121737867 /nfs/dbraw/zinc/73/78/67/1121737867.db2.gz UVPZAANEXRIHOS-OAHLLOKOSA-N 0 1 293.457 3.794 20 0 CHADMN Cc1ccc2oc(N[C@@H]3CN(C)Cc4ccccc43)nc2c1 ZINC000534530843 1121744501 /nfs/dbraw/zinc/74/45/01/1121744501.db2.gz RBBBGVXIMWHPEL-MRXNPFEDSA-N 0 1 293.370 3.735 20 0 CHADMN CC(C)C[C@H](C)CC(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000727850626 1121751902 /nfs/dbraw/zinc/75/19/02/1121751902.db2.gz XNHAFNPXDPVEOQ-JTQLQIEISA-N 0 1 292.408 3.544 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)C(C)(C)C)c1ncc[nH]1 ZINC000285528353 1121761422 /nfs/dbraw/zinc/76/14/22/1121761422.db2.gz FGHSVLNONHPFPE-JSGCOSHPSA-N 0 1 257.381 3.848 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)N(Cc2nccs2)C1 ZINC000285896829 1121763911 /nfs/dbraw/zinc/76/39/11/1121763911.db2.gz ZODDBJQGAVQFBX-TZMCWYRMSA-N 0 1 258.390 3.726 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)N(Cc2nccs2)C1 ZINC000285896825 1121764249 /nfs/dbraw/zinc/76/42/49/1121764249.db2.gz ZODDBJQGAVQFBX-JSGCOSHPSA-N 0 1 258.390 3.726 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2CCC[C@@H]1C)c1ncc[nH]1 ZINC000286012920 1121765012 /nfs/dbraw/zinc/76/50/12/1121765012.db2.gz IEKQNKIAPWOTGP-XEZPLFJOSA-N 0 1 269.392 3.774 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)C1CCCC1)c1ncc[nH]1 ZINC000285950036 1121765728 /nfs/dbraw/zinc/76/57/28/1121765728.db2.gz GDLQTQTUDBCQHY-XJKSGUPXSA-N 0 1 269.392 3.992 20 0 CHADMN CN1Cc2ccc(NC/C=C\c3ccc(F)cc3)cc2C1 ZINC001178094267 1121766314 /nfs/dbraw/zinc/76/63/14/1121766314.db2.gz BPDDUBIXBFTIPH-IHWYPQMZSA-N 0 1 282.362 3.896 20 0 CHADMN COC[C@@H](NCc1cnc(C(C)C)s1)c1ccccc1 ZINC001178214441 1121772184 /nfs/dbraw/zinc/77/21/84/1121772184.db2.gz ZQBXBFDEJKJFFF-OAHLLOKOSA-N 0 1 290.432 3.744 20 0 CHADMN CCOc1ccccc1CN[C@@H]1CCCc2ncccc21 ZINC000631571978 1129008257 /nfs/dbraw/zinc/00/82/57/1129008257.db2.gz KVKDNAMCNLFMTJ-QGZVFWFLSA-N 0 1 282.387 3.648 20 0 CHADMN Cc1cc(CN[C@@H](C)CCc2c[nH]c3ccccc23)no1 ZINC000631572055 1129008327 /nfs/dbraw/zinc/00/83/27/1129008327.db2.gz JDZWETMPJUXQSE-LBPRGKRZSA-N 0 1 283.375 3.575 20 0 CHADMN CCC/C=C/C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000729349489 1121779956 /nfs/dbraw/zinc/77/99/56/1121779956.db2.gz GHDNUWLSTMJYAD-WHWKNOJMSA-N 0 1 297.402 3.891 20 0 CHADMN Oc1cccc(CN[C@@H]2CCCOc3cc(F)ccc32)c1 ZINC001178350542 1121780268 /nfs/dbraw/zinc/78/02/68/1121780268.db2.gz GUIBCRWFVHJUCS-MRXNPFEDSA-N 0 1 287.334 3.535 20 0 CHADMN Cc1cnc([C@H](C)CNCc2csc(C3CC3)n2)s1 ZINC001178449489 1121784673 /nfs/dbraw/zinc/78/46/73/1121784673.db2.gz QIYXWTIJNDHJKE-SECBINFHSA-N 0 1 293.461 3.679 20 0 CHADMN c1sc(Cc2ccccc2)nc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000152857429 1129008976 /nfs/dbraw/zinc/00/89/76/1129008976.db2.gz ORXXFRHIBOLALO-HZPDHXFCSA-N 0 1 298.455 3.966 20 0 CHADMN CCOc1ccc(-c2nc3cccc(C)c3[nH]2)cc1OC ZINC000261367415 1121790637 /nfs/dbraw/zinc/79/06/37/1121790637.db2.gz RLRVYWLPHACNMQ-UHFFFAOYSA-N 0 1 282.343 3.946 20 0 CHADMN CN(Cc1ccoc1)Cc1cccc(OCC(F)(F)F)c1 ZINC000345099692 1121791284 /nfs/dbraw/zinc/79/12/84/1121791284.db2.gz QOWKQPODGBZZFH-UHFFFAOYSA-N 0 1 299.292 3.853 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cccc3c1OCC3)CCC2 ZINC001178640213 1121803319 /nfs/dbraw/zinc/80/33/19/1121803319.db2.gz PLIPMZBRVCGUKT-SFHVURJKSA-N 0 1 297.373 3.928 20 0 CHADMN Fc1cccc(/C=C\CNCc2cc(F)cnc2Cl)c1 ZINC001178827022 1121821515 /nfs/dbraw/zinc/82/15/15/1121821515.db2.gz KSHIDLSGVKZTEJ-RQOWECAXSA-N 0 1 294.732 3.816 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2ncccc21)c1c(C)noc1C ZINC000631603896 1129012331 /nfs/dbraw/zinc/01/23/31/1129012331.db2.gz WOBKDLQNSRDRTI-ZBFHGGJFSA-N 0 1 285.391 3.805 20 0 CHADMN COc1cccc(OC)c1CNC/C(C)=C\c1ccccc1 ZINC001179105576 1121849303 /nfs/dbraw/zinc/84/93/03/1121849303.db2.gz JHPQFHVDMUOKOV-QINSGFPZSA-N 0 1 297.398 3.897 20 0 CHADMN Cc1cc([C@H]2CCCCN2C(=O)[C@H]2CCC(C)(C)C2)n[nH]1 ZINC001179151373 1121853672 /nfs/dbraw/zinc/85/36/72/1121853672.db2.gz AMKNSDMRFAYDQF-DZGCQCFKSA-N 0 1 289.423 3.598 20 0 CHADMN Cc1cc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)n[nH]1 ZINC001179160308 1121856476 /nfs/dbraw/zinc/85/64/76/1121856476.db2.gz MKVKJXVSZBDKQD-XNRPHZJLSA-N 0 1 289.423 3.598 20 0 CHADMN CC(C)c1nsc(CN[C@@H](C)[C@H](C)c2ccccc2)n1 ZINC001119698101 1121859135 /nfs/dbraw/zinc/85/91/35/1121859135.db2.gz JHSHIAKHBNVZHE-STQMWFEESA-N 0 1 289.448 3.943 20 0 CHADMN CCN(CC)[C@H](C(=O)N(C)[C@@H](C)C(C)C)c1ccccc1 ZINC000345250567 1121859900 /nfs/dbraw/zinc/85/99/00/1121859900.db2.gz DGHBRMVLKMVJGN-RDJZCZTQSA-N 0 1 290.451 3.572 20 0 CHADMN c1snnc1CN[C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC001179277405 1121871089 /nfs/dbraw/zinc/87/10/89/1121871089.db2.gz FBQBWZKTFGGICI-LSDHHAIUSA-N 0 1 287.432 3.744 20 0 CHADMN Cc1ccccc1O[C@H]1CCCN(Cc2ccoc2)C1 ZINC001204243210 1121873719 /nfs/dbraw/zinc/87/37/19/1121873719.db2.gz NFEIEPSEAAKPOB-INIZCTEOSA-N 0 1 271.360 3.631 20 0 CHADMN Cc1ccc(CNCc2cc(O)cc(Cl)c2)cc1F ZINC001179658409 1121895458 /nfs/dbraw/zinc/89/54/58/1121895458.db2.gz HHROWADEJCFHIR-UHFFFAOYSA-N 0 1 279.742 3.783 20 0 CHADMN Cc1ccc(-c2cc(-c3nc(-c4cccs4)no3)[nH]n2)o1 ZINC000345738103 1121912628 /nfs/dbraw/zinc/91/26/28/1121912628.db2.gz GTTCCADSCYBWTD-UHFFFAOYSA-N 0 1 298.327 3.757 20 0 CHADMN C[C@@H](NC[C@@H]1CCc2ccccc21)c1nc(C(C)(C)C)no1 ZINC000732228347 1121913105 /nfs/dbraw/zinc/91/31/05/1121913105.db2.gz LVKVKPPXEHLIMX-OCCSQVGLSA-N 0 1 299.418 3.748 20 0 CHADMN CCc1ccc(CNCC(=O)Nc2cccc(CC)c2)cc1 ZINC000732231711 1121914283 /nfs/dbraw/zinc/91/42/83/1121914283.db2.gz VUIJXVBDBVVPCP-UHFFFAOYSA-N 0 1 296.414 3.540 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1cccc2cnccc21 ZINC000732266557 1121914409 /nfs/dbraw/zinc/91/44/09/1121914409.db2.gz GCCXSARPDSJMBK-UHFFFAOYSA-N 0 1 299.418 3.685 20 0 CHADMN Cc1c(Cl)cccc1CN(C)Cc1cccc(O)c1 ZINC001179844804 1121916445 /nfs/dbraw/zinc/91/64/45/1121916445.db2.gz CNWSGRPKFIQNAH-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN Cc1ccc([C@H](C)NCc2cnc3ccccc3n2)cc1 ZINC000037770365 1129018547 /nfs/dbraw/zinc/01/85/47/1129018547.db2.gz RPWKDQPBOXPDIT-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN COC(C)(C)CCN(Cc1ccco1)Cc1ccco1 ZINC000345849501 1121921716 /nfs/dbraw/zinc/92/17/16/1121921716.db2.gz DLTWMILESXMWEB-UHFFFAOYSA-N 0 1 277.364 3.690 20 0 CHADMN c1ccc([C@@H](N[C@@H]2CCCc3ncccc32)C2CCC2)nc1 ZINC000631652987 1129018600 /nfs/dbraw/zinc/01/86/00/1129018600.db2.gz VTAFJYSGOXBANN-MJGOQNOKSA-N 0 1 293.414 3.985 20 0 CHADMN CCC(CC)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732547550 1121925896 /nfs/dbraw/zinc/92/58/96/1121925896.db2.gz URTBGBIRXONMQI-VIFPVBQESA-N 0 1 293.798 3.830 20 0 CHADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1nc2ccccc2n1C(F)F ZINC000419397248 1121933671 /nfs/dbraw/zinc/93/36/71/1121933671.db2.gz UNGOQKKRFBFGPK-GRYCIOLGSA-N 0 1 293.361 3.908 20 0 CHADMN CC[N@@H+](CCc1ccccc1)Cc1c(OC)cccc1OC ZINC001180018017 1121939390 /nfs/dbraw/zinc/93/93/90/1121939390.db2.gz LKOKYMRTZUJBGQ-UHFFFAOYSA-N 0 1 299.414 3.768 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccc(-c2ccccc2)cc1C ZINC000732753178 1121939911 /nfs/dbraw/zinc/93/99/11/1121939911.db2.gz WZAWCNLZQSMAJW-UHFFFAOYSA-N 0 1 291.354 3.946 20 0 CHADMN COc1cc(F)cc(CN2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC001180052693 1121943771 /nfs/dbraw/zinc/94/37/71/1121943771.db2.gz SYHVVSFYVGECBG-JKSUJKDBSA-N 0 1 295.423 3.694 20 0 CHADMN Fc1ccc([C@@H](N[C@H]2CCCC23CC3)c2cnccn2)cc1 ZINC000631665983 1129020093 /nfs/dbraw/zinc/02/00/93/1129020093.db2.gz VOIJHVXEJLNHPW-DLBZAZTESA-N 0 1 297.377 3.627 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2C(C)C)ncc1Br ZINC001180129174 1121947507 /nfs/dbraw/zinc/94/75/07/1121947507.db2.gz KCDCDSFVSAWGSG-CQSZACIVSA-N 0 1 297.240 3.773 20 0 CHADMN CN(Cn1ccc(-c2cc(Cl)ccc2Cl)n1)C1CC1 ZINC000732978824 1121949234 /nfs/dbraw/zinc/94/92/34/1121949234.db2.gz SVPBYFSGRLKWJS-UHFFFAOYSA-N 0 1 296.201 3.909 20 0 CHADMN CC(C)(C)OCCN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732989025 1121949852 /nfs/dbraw/zinc/94/98/52/1121949852.db2.gz NGIMWTPIZRNATK-OAHLLOKOSA-N 0 1 283.362 3.917 20 0 CHADMN Cc1occc1CN1CCCC[C@H]1c1cccn1C ZINC000414419066 1121956419 /nfs/dbraw/zinc/95/64/19/1121956419.db2.gz ZMBQWJQDHRFRJA-INIZCTEOSA-N 0 1 258.365 3.654 20 0 CHADMN C[C@@H](NC[C@@]1(O)CCCC(C)(C)CC1)c1cscn1 ZINC000631679602 1129020807 /nfs/dbraw/zinc/02/08/07/1129020807.db2.gz KSTDXXOLJPMMGY-IUODEOHRSA-N 0 1 282.453 3.515 20 0 CHADMN CN(CCCc1ccccc1)Cc1cnc(Cl)s1 ZINC000079316466 1129020863 /nfs/dbraw/zinc/02/08/63/1129020863.db2.gz GNQNSVMAQWWTGZ-UHFFFAOYSA-N 0 1 280.824 3.861 20 0 CHADMN Cc1ccc(CSCc2n[nH]c(C3CC3)n2)c(C)c1 ZINC000419656881 1121960674 /nfs/dbraw/zinc/96/06/74/1121960674.db2.gz ZZSHKBWIHYNDEW-UHFFFAOYSA-N 0 1 273.405 3.732 20 0 CHADMN CCCc1ccc(NC(=O)c2cc(-c3ccco3)n[nH]2)cc1 ZINC000028434059 1121963376 /nfs/dbraw/zinc/96/33/76/1121963376.db2.gz PAPTUINQOCAQFR-UHFFFAOYSA-N 0 1 295.342 3.875 20 0 CHADMN CCC[C@@H]1CN(Cc2ccc(C3CC3)cc2)CCO1 ZINC001180203407 1121963581 /nfs/dbraw/zinc/96/35/81/1121963581.db2.gz RCXHOKKPQMFEIW-QGZVFWFLSA-N 0 1 259.393 3.565 20 0 CHADMN C[C@H]1CCC[C@H](C)N(Cc2cnc(Cl)s2)C1 ZINC000079325576 1129021711 /nfs/dbraw/zinc/02/17/11/1129021711.db2.gz YSLYPVOTYIHTQM-UWVGGRQHSA-N 0 1 258.818 3.807 20 0 CHADMN C[C@]1(F)CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000501426020 1121977371 /nfs/dbraw/zinc/97/73/71/1121977371.db2.gz MJQKBTVSOOURCH-LBPRGKRZSA-N 0 1 277.261 3.519 20 0 CHADMN C[C@]1(F)CCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000501426020 1121977376 /nfs/dbraw/zinc/97/73/76/1121977376.db2.gz MJQKBTVSOOURCH-LBPRGKRZSA-N 0 1 277.261 3.519 20 0 CHADMN Cc1ccc(CN[C@@H](CC2CCC2)c2ccccc2)nn1 ZINC000414439838 1121984268 /nfs/dbraw/zinc/98/42/68/1121984268.db2.gz XFHARQAGIYEXIK-SFHVURJKSA-N 0 1 281.403 3.806 20 0 CHADMN C[C@H]1c2cccn2CCN1CCc1ccc(Cl)cc1 ZINC001180422839 1121988987 /nfs/dbraw/zinc/98/89/87/1121988987.db2.gz OULWGAZPWZAUHX-ZDUSSCGKSA-N 0 1 274.795 3.761 20 0 CHADMN CCc1ncc(CN(C)[C@@H](CC)c2cccc(OC)c2)cn1 ZINC000414445911 1121991437 /nfs/dbraw/zinc/99/14/37/1121991437.db2.gz UDZXHZVKRWNEHI-KRWDZBQOSA-N 0 1 299.418 3.631 20 0 CHADMN C[C@H](O)C[C@H]1CCC[N@H+]1[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000153184429 1129023785 /nfs/dbraw/zinc/02/37/85/1129023785.db2.gz MGYQJIIIHXNPHW-GMXVVIOVSA-N 0 1 285.790 3.775 20 0 CHADMN C[C@@]1(CN(Cc2ccc(F)cc2F)C2CC2)CCCCO1 ZINC001180557312 1121998251 /nfs/dbraw/zinc/99/82/51/1121998251.db2.gz BLVSGVDCTFXSPA-KRWDZBQOSA-N 0 1 295.373 3.888 20 0 CHADMN Cc1ccc(CN[C@H]2CCCOc3ccc(C)cc32)o1 ZINC000631728742 1129024528 /nfs/dbraw/zinc/02/45/28/1129024528.db2.gz XDQPCQLWDMZGCR-INIZCTEOSA-N 0 1 271.360 3.900 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C[C@H]1C ZINC000501777328 1122008197 /nfs/dbraw/zinc/00/81/97/1122008197.db2.gz QAGDTKBQTSHYQI-QWHCGFSZSA-N 0 1 288.366 3.959 20 0 CHADMN C[C@H]1CCN(Cc2ncc(-c3ccccc3F)o2)C[C@H]1C ZINC000501777328 1122008204 /nfs/dbraw/zinc/00/82/04/1122008204.db2.gz QAGDTKBQTSHYQI-QWHCGFSZSA-N 0 1 288.366 3.959 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C[C@@H]1C ZINC000501777327 1122008276 /nfs/dbraw/zinc/00/82/76/1122008276.db2.gz QAGDTKBQTSHYQI-OLZOCXBDSA-N 0 1 288.366 3.959 20 0 CHADMN C[C@@H]1CCN(Cc2ncc(-c3ccccc3F)o2)C[C@@H]1C ZINC000501777327 1122008283 /nfs/dbraw/zinc/00/82/83/1122008283.db2.gz QAGDTKBQTSHYQI-OLZOCXBDSA-N 0 1 288.366 3.959 20 0 CHADMN C[C@H]1CN(Cc2cc(-c3cccs3)on2)CC[C@@H]1C ZINC000501789524 1122008885 /nfs/dbraw/zinc/00/88/85/1122008885.db2.gz LUUUNVYLZOYSIK-RYUDHWBXSA-N 0 1 276.405 3.881 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H](C)[C@@H](C)C1 ZINC000501807408 1122011063 /nfs/dbraw/zinc/01/10/63/1122011063.db2.gz XBEXPMDCBVJILI-AAEUAGOBSA-N 0 1 294.826 3.565 20 0 CHADMN CCCCCCc1ccc(NC(=O)[C@H](C)N(C)C)cc1 ZINC001180862086 1122019958 /nfs/dbraw/zinc/01/99/58/1122019958.db2.gz WLAWWJCVMPJOBM-AWEZNQCLSA-N 0 1 276.424 3.698 20 0 CHADMN Cc1occc1CN1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000414461243 1122022820 /nfs/dbraw/zinc/02/28/20/1122022820.db2.gz DFKWBHGNVCGJBI-CABZTGNLSA-N 0 1 261.287 3.751 20 0 CHADMN CCC[C@H](C)N1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000501902568 1122022943 /nfs/dbraw/zinc/02/29/43/1122022943.db2.gz ZURLFAODYASXHV-HNNXBMFYSA-N 0 1 283.419 3.727 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccccc1C)c1ccn(C)n1 ZINC000631736332 1129026102 /nfs/dbraw/zinc/02/61/02/1129026102.db2.gz HMUQSBUXPBYQBR-UKRRQHHQSA-N 0 1 257.381 3.530 20 0 CHADMN C[C@H](N[C@H]1CCc2ccccc21)c1nc2c(s1)CCC2 ZINC000502018298 1122031612 /nfs/dbraw/zinc/03/16/12/1122031612.db2.gz OXOGUGRMZZBSEM-FZMZJTMJSA-N 0 1 284.428 3.970 20 0 CHADMN C[C@H](CC1CCC1)N[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000631738577 1129026314 /nfs/dbraw/zinc/02/63/14/1129026314.db2.gz PSCWTQPEUMKRCM-CZUORRHYSA-N 0 1 269.392 3.667 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2C[C@H](Sc3ccccc3)C2)no1 ZINC000631739569 1129026890 /nfs/dbraw/zinc/02/68/90/1129026890.db2.gz WAAPNANPYVJFNO-YDHLFZDLSA-N 0 1 288.416 3.957 20 0 CHADMN C[C@@H](NC/C=C\c1ccc(F)cc1F)c1ccncc1F ZINC000509949180 1122039553 /nfs/dbraw/zinc/03/95/53/1122039553.db2.gz PLGWAGCOMVGCKG-OTDNITJGSA-N 0 1 292.304 3.863 20 0 CHADMN Cc1cnc(CN2CCC[C@]2(C)Cc2ccc(F)cc2)nc1 ZINC000420920265 1122042274 /nfs/dbraw/zinc/04/22/74/1122042274.db2.gz ATCOZXPMFYRENV-GOSISDBHSA-N 0 1 299.393 3.521 20 0 CHADMN C[C@@]1(Cc2ccc(F)cc2)CCCN1Cc1cscn1 ZINC000420927094 1122045428 /nfs/dbraw/zinc/04/54/28/1122045428.db2.gz NWWJCPOMCBZJTB-INIZCTEOSA-N 0 1 290.407 3.879 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@@H](CC(F)(F)F)C2)o1 ZINC000420944242 1122046480 /nfs/dbraw/zinc/04/64/80/1122046480.db2.gz JDSAXODGTGZJHT-NSHDSACASA-N 0 1 290.329 3.710 20 0 CHADMN FC(F)(F)CCN1CCC[C@H](CC(F)(F)F)C1 ZINC000420941919 1122046729 /nfs/dbraw/zinc/04/67/29/1122046729.db2.gz GHNKVIJZNXNNMB-MRVPVSSYSA-N 0 1 263.225 3.603 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@@H]1C[C@H]1C(F)(F)F)CCCO2 ZINC000631754651 1129027690 /nfs/dbraw/zinc/02/76/90/1129027690.db2.gz NHXSDDXIQDPPMT-IJLUTSLNSA-N 0 1 289.272 3.580 20 0 CHADMN CC(C)c1nnc(CN2CC[C@@H](C3CCCC3)C2)s1 ZINC000420967378 1122052301 /nfs/dbraw/zinc/05/23/01/1122052301.db2.gz YJUGDVGVYSZCSM-CYBMUJFWSA-N 0 1 279.453 3.674 20 0 CHADMN Cc1cc(CN(C)Cc2ccsc2)c2c(n1)CCCC2 ZINC001181391282 1122054344 /nfs/dbraw/zinc/05/43/44/1122054344.db2.gz WJXKIFDRCLZMAM-UHFFFAOYSA-N 0 1 286.444 3.962 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1OC(F)F ZINC000631756969 1129028562 /nfs/dbraw/zinc/02/85/62/1129028562.db2.gz SWDZQMKQDFRUBI-FXBDTBDDSA-N 0 1 295.251 3.889 20 0 CHADMN COc1ccc(CN[C@H](CC(F)F)c2ccccc2)cn1 ZINC000420995907 1122058304 /nfs/dbraw/zinc/05/83/04/1122058304.db2.gz PNKIMSWHVBYDFG-CQSZACIVSA-N 0 1 292.329 3.576 20 0 CHADMN CCCc1noc(CN2CC[C@H](c3ccccc3)C2(C)C)n1 ZINC000421029722 1122062561 /nfs/dbraw/zinc/06/25/61/1122062561.db2.gz XVRVMNMVEOGUQS-OAHLLOKOSA-N 0 1 299.418 3.790 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)Cc3cc(C)cc(F)c3)ccc12 ZINC001181647808 1122068124 /nfs/dbraw/zinc/06/81/24/1122068124.db2.gz WTDBNDVWIFPJAC-UHFFFAOYSA-N 0 1 297.333 3.500 20 0 CHADMN CO[C@@](C)([C@H](C)NCc1ncc(C(C)C)s1)C1CC1 ZINC000414504380 1122077792 /nfs/dbraw/zinc/07/77/92/1122077792.db2.gz SJLZKXDARZJQBA-NHYWBVRUSA-N 0 1 282.453 3.560 20 0 CHADMN CC(C)(C)c1cnc(CNCC(C)(C)OCC2CC2)s1 ZINC000414507866 1122087500 /nfs/dbraw/zinc/08/75/00/1122087500.db2.gz WWVMWSSFBWANMR-UHFFFAOYSA-N 0 1 296.480 3.735 20 0 CHADMN c1cc2c(cccc2CN[C@H]2CCCc3scnc32)[nH]1 ZINC000631808179 1129030748 /nfs/dbraw/zinc/03/07/48/1129030748.db2.gz YAUYRYAQJYUAGA-AWEZNQCLSA-N 0 1 283.400 3.792 20 0 CHADMN Cc1cccc2c1CC(C)(C)N(Cc1ccc(F)nc1)C2 ZINC001181934762 1122098182 /nfs/dbraw/zinc/09/81/82/1122098182.db2.gz VBMXGGFEMQAACQ-UHFFFAOYSA-N 0 1 284.378 3.866 20 0 CHADMN C[C@H](N[C@@H]1CCCn2nccc21)c1cnc2ccsc2c1 ZINC000631810077 1129031457 /nfs/dbraw/zinc/03/14/57/1129031457.db2.gz WDJCBARUSGPBAW-WCQYABFASA-N 0 1 298.415 3.679 20 0 CHADMN CCn1nccc1CN(C(C)C)[C@H](C)c1ccsc1 ZINC000421377563 1122105189 /nfs/dbraw/zinc/10/51/89/1122105189.db2.gz SXRGRSZRMOVWNZ-CYBMUJFWSA-N 0 1 277.437 3.936 20 0 CHADMN CCCCCOc1ccc(CN2CC[C@@]23CCOC3)cc1 ZINC000421395389 1122111002 /nfs/dbraw/zinc/11/10/02/1122111002.db2.gz IESFJTRHFRYYQQ-SFHVURJKSA-N 0 1 289.419 3.620 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(C)nc1C ZINC001203370300 1122120620 /nfs/dbraw/zinc/12/06/20/1122120620.db2.gz ZGKDMTVGYCTEAA-UHFFFAOYSA-N 0 1 270.311 3.537 20 0 CHADMN Fc1cc(F)cc(CN2CC(C3CCCC3)C2)c1 ZINC001182216342 1122121816 /nfs/dbraw/zinc/12/18/16/1122121816.db2.gz OKQHOOMNFOGDHE-UHFFFAOYSA-N 0 1 251.320 3.587 20 0 CHADMN COCCC1(C)CN(Cc2cccc(Cl)c2C)C1 ZINC001182225571 1122122655 /nfs/dbraw/zinc/12/26/55/1122122655.db2.gz ANLGHHNBTLLVNJ-UHFFFAOYSA-N 0 1 267.800 3.507 20 0 CHADMN CC(C)C1CCC(C[N@H+]2CCC[C@H](C(=O)[O-])[C@@H]2C)CC1 ZINC000263113505 1129033005 /nfs/dbraw/zinc/03/30/05/1129033005.db2.gz ZAGVWGOJTXFOPF-LBDPXKHJSA-N 0 1 281.440 3.634 20 0 CHADMN CCc1onc(C)c1CN1CC(CC)(c2ccccc2)C1 ZINC001182260536 1122127514 /nfs/dbraw/zinc/12/75/14/1122127514.db2.gz FYOULLAANMXLDE-UHFFFAOYSA-N 0 1 284.403 3.709 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCCc3nc(C)ncc32)c(C)o1 ZINC000774200085 1122139263 /nfs/dbraw/zinc/13/92/63/1122139263.db2.gz BIURMNIVEPDBLI-ZBEGNZNMSA-N 0 1 285.391 3.723 20 0 CHADMN Cc1ccoc1CN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000414547023 1122148906 /nfs/dbraw/zinc/14/89/06/1122148906.db2.gz GTEVRAFXLZCFRH-SFHVURJKSA-N 0 1 297.398 3.942 20 0 CHADMN CC(C)=CCC[C@H](C)CCN[C@H](C)c1csnn1 ZINC000414553570 1122154130 /nfs/dbraw/zinc/15/41/30/1122154130.db2.gz SQWRZAOPCZNGKN-QWHCGFSZSA-N 0 1 267.442 3.961 20 0 CHADMN Cc1ccccc1[C@@]1(F)CC[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000502902389 1122157487 /nfs/dbraw/zinc/15/74/87/1122157487.db2.gz ICZCRVUKBMNQDY-MAUKXSAKSA-N 0 1 291.410 3.823 20 0 CHADMN Cc1ccccc1[C@@]1(F)CCN(C[C@@H]2CCC(C)(C)O2)C1 ZINC000502902389 1122157489 /nfs/dbraw/zinc/15/74/89/1122157489.db2.gz ICZCRVUKBMNQDY-MAUKXSAKSA-N 0 1 291.410 3.823 20 0 CHADMN Cc1cc(CNCc2ccns2)ccc1Br ZINC000404358427 1122161131 /nfs/dbraw/zinc/16/11/31/1122161131.db2.gz MWAWXOXWVMDAOO-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN c1ccc(-c2nnc([C@H]3CCC[N@H+]3[C@@H]3C=CCCC3)[n-]2)cc1 ZINC000503159753 1122169959 /nfs/dbraw/zinc/16/99/59/1122169959.db2.gz LDLYULPPGFTSFE-HZPDHXFCSA-N 0 1 294.402 3.717 20 0 CHADMN C[C@@H]1CCC[C@@H]1NCc1c(F)c(F)c(F)c(F)c1F ZINC000774505352 1122172188 /nfs/dbraw/zinc/17/21/88/1122172188.db2.gz BNDUMYITQOFBQT-SVRRBLITSA-N 0 1 279.252 3.660 20 0 CHADMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C)nc1Cl ZINC000688554966 1129036223 /nfs/dbraw/zinc/03/62/23/1129036223.db2.gz FLBDPWBDMOMZJY-YPMHNXCESA-N 0 1 252.789 3.806 20 0 CHADMN C[C@@H](c1ccco1)N(Cc1ccc2c(c1)ncn2C)C1CC1 ZINC000271735364 1122173030 /nfs/dbraw/zinc/17/30/30/1122173030.db2.gz OLOWQLPYTFGQAL-ZDUSSCGKSA-N 0 1 295.386 3.892 20 0 CHADMN CC(C)Oc1ccccc1CN[C@@H](CCO)c1ccccc1 ZINC000271728693 1122173115 /nfs/dbraw/zinc/17/31/15/1122173115.db2.gz YCMRBVQBWRSVKU-SFHVURJKSA-N 0 1 299.414 3.687 20 0 CHADMN CC[C@H](NCc1cnccc1C)c1cc(F)ccc1F ZINC000271784972 1122175799 /nfs/dbraw/zinc/17/57/99/1122175799.db2.gz MHRJUABBENTBTQ-INIZCTEOSA-N 0 1 276.330 3.909 20 0 CHADMN CCc1noc(C)c1CN[C@@H](C)c1ccc(F)c(C)c1 ZINC000271826513 1122177814 /nfs/dbraw/zinc/17/78/14/1122177814.db2.gz VMBGVZLKJLIVQG-NSHDSACASA-N 0 1 276.355 3.844 20 0 CHADMN CO[C@H](c1ccccc1F)[C@H](C)N[C@H](C)c1nccs1 ZINC000271878040 1122180581 /nfs/dbraw/zinc/18/05/81/1122180581.db2.gz OQLQRMLMVNBASS-WDMOLILDSA-N 0 1 294.395 3.709 20 0 CHADMN CCc1cc(CNc2cc(C)nc3c(F)cccc23)n[nH]1 ZINC000774530077 1122181696 /nfs/dbraw/zinc/18/16/96/1122181696.db2.gz QPFLXTFZMQLLOU-UHFFFAOYSA-N 0 1 284.338 3.580 20 0 CHADMN C[C@H](CC[N@H+]1C[C@H](C)OC2(CCC2)C1)c1ccccc1 ZINC001182703514 1122183537 /nfs/dbraw/zinc/18/35/37/1122183537.db2.gz JDBRUGZZYSYWSV-CVEARBPZSA-N 0 1 273.420 3.824 20 0 CHADMN CCCOc1ccc(CN2CCC[C@@H](F)C2)c(C)c1 ZINC001182752567 1122184954 /nfs/dbraw/zinc/18/49/54/1122184954.db2.gz AASYIHYZIWJGBA-OAHLLOKOSA-N 0 1 265.372 3.718 20 0 CHADMN Cc1ccccc1CNc1cn2ccnc2cc1C ZINC001161620686 1122187776 /nfs/dbraw/zinc/18/77/76/1122187776.db2.gz KJNMCABNUKFELV-UHFFFAOYSA-N 0 1 251.333 3.563 20 0 CHADMN C[C@@]1(C2CC2)CN(Cc2ccc(C3CC3)cc2)CCO1 ZINC001182864949 1122192734 /nfs/dbraw/zinc/19/27/34/1122192734.db2.gz PEMOWUMCDGTWRK-SFHVURJKSA-N 0 1 271.404 3.565 20 0 CHADMN C[C@H](CO)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000272231927 1122195304 /nfs/dbraw/zinc/19/53/04/1122195304.db2.gz FBGSGIUFSPOYNY-BZNIZROVSA-N 0 1 293.769 3.539 20 0 CHADMN COCC[C@H](N[C@@H]1CCc2c1cccc2F)c1ccco1 ZINC000272418254 1122201058 /nfs/dbraw/zinc/20/10/58/1122201058.db2.gz HNOBWWDNWFNBNG-CVEARBPZSA-N 0 1 289.350 3.773 20 0 CHADMN O=C(Nc1csc2ccccc12)[C@H]1CCCc2[nH]ncc21 ZINC000272452421 1122202834 /nfs/dbraw/zinc/20/28/34/1122202834.db2.gz JRVJDPITYXBTFX-JTQLQIEISA-N 0 1 297.383 3.683 20 0 CHADMN COc1cc(C)ccc1CN1CC(Cc2ccsc2)C1 ZINC001183053775 1122203495 /nfs/dbraw/zinc/20/34/95/1122203495.db2.gz QUINGSNKDWDCLS-UHFFFAOYSA-N 0 1 287.428 3.740 20 0 CHADMN COCC[C@H](NCc1cccc2cc[nH]c21)c1ccco1 ZINC000272507083 1122205033 /nfs/dbraw/zinc/20/50/33/1122205033.db2.gz HHQRGLRAQARGDH-HNNXBMFYSA-N 0 1 284.359 3.628 20 0 CHADMN COCC[C@@H](N[C@H](C)c1cccs1)c1ccco1 ZINC000272582657 1122205835 /nfs/dbraw/zinc/20/58/35/1122205835.db2.gz QQARKGHWXLFPGF-VXGBXAGGSA-N 0 1 265.378 3.770 20 0 CHADMN C[C@@H]1C[C@H](CN[C@@H](CCc2ccccc2)C(F)F)CCO1 ZINC000272584365 1122206294 /nfs/dbraw/zinc/20/62/94/1122206294.db2.gz VPYPXNJNDGPDKX-BMFZPTHFSA-N 0 1 297.389 3.658 20 0 CHADMN COCC[C@H](NCc1ccc(Cl)c(F)c1)c1ccco1 ZINC000272613603 1122206986 /nfs/dbraw/zinc/20/69/86/1122206986.db2.gz VBRHYPBTQDNDRU-AWEZNQCLSA-N 0 1 297.757 3.940 20 0 CHADMN CC(C)CCCCN1CCOc2cc(F)ccc2C1 ZINC001183154973 1122207548 /nfs/dbraw/zinc/20/75/48/1122207548.db2.gz AEECEMGPTUJVTA-UHFFFAOYSA-N 0 1 265.372 3.846 20 0 CHADMN CCOc1cccc(CN[C@@H](CCOC)c2ccco2)c1 ZINC000272621337 1122207682 /nfs/dbraw/zinc/20/76/82/1122207682.db2.gz WFPBVNJJTLCHSX-INIZCTEOSA-N 0 1 289.375 3.546 20 0 CHADMN C[C@@H](N[C@H]1CCCOc2c(F)cccc21)c1cncs1 ZINC000272611838 1122207829 /nfs/dbraw/zinc/20/78/29/1122207829.db2.gz KPBOVUZAJKZOLZ-MFKMUULPSA-N 0 1 292.379 3.847 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)N1CC[C@@H]([C@H](C)O)C1 ZINC000272641572 1122208679 /nfs/dbraw/zinc/20/86/79/1122208679.db2.gz XPXPQFPPOKVCEM-OUAUKWLOSA-N 0 1 288.218 3.757 20 0 CHADMN CC[C@H]1C[C@H](CC(=O)Nc2cccc(Cl)c2O)CCO1 ZINC000272827196 1122213485 /nfs/dbraw/zinc/21/34/85/1122213485.db2.gz NYOVWLNALQJPSE-MNOVXSKESA-N 0 1 297.782 3.579 20 0 CHADMN CC1(C)C[C@H](NCc2ccncc2)c2cc(F)ccc2O1 ZINC000082505575 1122216060 /nfs/dbraw/zinc/21/60/60/1122216060.db2.gz UDYHBCNAPZFNHM-HNNXBMFYSA-N 0 1 286.350 3.613 20 0 CHADMN CC1(C)CN(CCCc2c(F)cccc2Cl)C1 ZINC001183354583 1122218783 /nfs/dbraw/zinc/21/87/83/1122218783.db2.gz DJDMOQQASITKIK-UHFFFAOYSA-N 0 1 255.764 3.754 20 0 CHADMN CC(C)(C)/C=C/C(=O)Nc1ccccc1-c1cn[nH]c1 ZINC000273210548 1122224016 /nfs/dbraw/zinc/22/40/16/1122224016.db2.gz KGZLFSIPAGZHKK-CMDGGOBGSA-N 0 1 269.348 3.618 20 0 CHADMN COc1ccnc(CN[C@@H](c2ccccc2)C2CCC2)c1 ZINC000273226799 1122224496 /nfs/dbraw/zinc/22/44/96/1122224496.db2.gz VQDDHTSUSRRCPK-SFHVURJKSA-N 0 1 282.387 3.721 20 0 CHADMN CC[C@@H](NCc1cc(OC)ccn1)c1ccc(Cl)cc1 ZINC000273253341 1122225375 /nfs/dbraw/zinc/22/53/75/1122225375.db2.gz YMGCKYMAEHJADM-MRXNPFEDSA-N 0 1 290.794 3.985 20 0 CHADMN Cc1cc(C)c(CNCc2cn3ccccc3n2)cc1C ZINC000072726673 1122230334 /nfs/dbraw/zinc/23/03/34/1122230334.db2.gz FOPQVPFIQYTVGF-UHFFFAOYSA-N 0 1 279.387 3.549 20 0 CHADMN Cc1csc([C@@H]2CCN(Cc3cccn3C(F)F)C2)n1 ZINC001183673865 1122233994 /nfs/dbraw/zinc/23/39/94/1122233994.db2.gz SVZLDVMEHQSQAV-LLVKDONJSA-N 0 1 297.374 3.638 20 0 CHADMN Cc1ccc(C[C@H](C)N[C@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC001183789772 1122240358 /nfs/dbraw/zinc/24/03/58/1122240358.db2.gz XVOXKJSLAAIVAB-FNHZYXHNSA-N 0 1 299.389 3.987 20 0 CHADMN CC[C@H](F)CN(Cc1ccc(OC)cc1OC)CC1CC1 ZINC000503239901 1122252266 /nfs/dbraw/zinc/25/22/66/1122252266.db2.gz LHNONLJZAJTAQU-HNNXBMFYSA-N 0 1 295.398 3.664 20 0 CHADMN CC[C@H]1CCC[C@H](CN2CCn3nc(C4CC4)cc3C2)C1 ZINC001184105651 1122255129 /nfs/dbraw/zinc/25/51/29/1122255129.db2.gz BACKAVMQZKYIMC-GJZGRUSLSA-N 0 1 287.451 3.793 20 0 CHADMN Cc1nccc(N(C)Cc2cc(C(C)(C)C)n[nH]2)c1Cl ZINC000503587043 1122269586 /nfs/dbraw/zinc/26/95/86/1122269586.db2.gz QGHDXYGJHMJSJW-UHFFFAOYSA-N 0 1 292.814 3.700 20 0 CHADMN Fc1cccc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000503655915 1122272328 /nfs/dbraw/zinc/27/23/28/1122272328.db2.gz WTLFZLABYPOCMF-CQSZACIVSA-N 0 1 273.326 3.954 20 0 CHADMN Cc1c(F)cccc1-c1ccc(CN2CCCOCC2)o1 ZINC000510541309 1122275966 /nfs/dbraw/zinc/27/59/66/1122275966.db2.gz YWJZRCNVVIZGRR-UHFFFAOYSA-N 0 1 289.350 3.616 20 0 CHADMN CC(C)C(N)=NOCCOc1cc(Cl)ccc1Cl ZINC000774778681 1122295738 /nfs/dbraw/zinc/29/57/38/1122295738.db2.gz ZBMLVJQDJBUFDP-UHFFFAOYSA-N 0 1 291.178 3.527 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cc(C)ns2)cc1 ZINC000637890462 1122310680 /nfs/dbraw/zinc/31/06/80/1122310680.db2.gz VIFMLVPDCLJALW-GFCCVEGCSA-N 0 1 276.405 3.653 20 0 CHADMN Cc1cc(Br)cc(CN2C3CCC2CC3)c1 ZINC000774825988 1122314917 /nfs/dbraw/zinc/31/49/17/1122314917.db2.gz JRGRYRGDWBFCJB-UHFFFAOYSA-N 0 1 280.209 3.884 20 0 CHADMN CCN(Cc1ccccc1Cl)C[C@@H]1CCC=CO1 ZINC000774832637 1122321903 /nfs/dbraw/zinc/32/19/03/1122321903.db2.gz KCTYPVRXQRWFME-AWEZNQCLSA-N 0 1 265.784 3.855 20 0 CHADMN Cc1cc(C)cc(N(C)Cc2ccnn2-c2ccncc2)c1 ZINC001205328189 1122334680 /nfs/dbraw/zinc/33/46/80/1122334680.db2.gz VFAYRXZPYORSLX-UHFFFAOYSA-N 0 1 292.386 3.521 20 0 CHADMN C[C@]1(CNc2ccnc3cc(F)ccc32)CC1(F)F ZINC000664401342 1122343724 /nfs/dbraw/zinc/34/37/24/1122343724.db2.gz QWSVCNMTUWZURO-CYBMUJFWSA-N 0 1 266.266 3.831 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000434342438 1122367933 /nfs/dbraw/zinc/36/79/33/1122367933.db2.gz QPHLFCCKBFYERR-UHFFFAOYSA-N 0 1 299.418 3.731 20 0 CHADMN c1ccc2c(c1)oc1c2CCN([C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167955140 1122368155 /nfs/dbraw/zinc/36/81/55/1122368155.db2.gz GQSASZCEYPKIFG-CLLJXQQHSA-N 0 1 253.345 3.589 20 0 CHADMN CC(C)(C)OCCCCN1CCOc2c(F)cccc2C1 ZINC000434615629 1122384350 /nfs/dbraw/zinc/38/43/50/1122384350.db2.gz NFLDUVLFQWYHPE-UHFFFAOYSA-N 0 1 295.398 3.615 20 0 CHADMN CC(C)[PH+](CCNC(=O)c1ccc([O-])cc1F)C(C)C ZINC001186348966 1122385215 /nfs/dbraw/zinc/38/52/15/1122385215.db2.gz VUIJNDJOOZXRSR-UHFFFAOYSA-N 0 1 299.326 3.560 20 0 CHADMN Fc1ccc([C@H]2CCCN2CCOCC(F)(F)F)cc1 ZINC000505479993 1122395422 /nfs/dbraw/zinc/39/54/22/1122395422.db2.gz JVVISAXTQLWRTG-CYBMUJFWSA-N 0 1 291.288 3.542 20 0 CHADMN COCCOc1ccccc1CN1CC[C@@H]1c1ccccc1 ZINC000434982758 1122425038 /nfs/dbraw/zinc/42/50/38/1122425038.db2.gz RHZKNDNDLCJMGA-GOSISDBHSA-N 0 1 297.398 3.659 20 0 CHADMN Fc1ccccc1-c1nc(CNC2CCCCCC2)no1 ZINC000435022661 1122427922 /nfs/dbraw/zinc/42/79/22/1122427922.db2.gz BOAKLPHOVHJFMJ-UHFFFAOYSA-N 0 1 289.354 3.688 20 0 CHADMN C[C@@H]1CCC[C@@H](NCc2noc(-c3ccccc3F)n2)C1 ZINC000435036886 1122429127 /nfs/dbraw/zinc/42/91/27/1122429127.db2.gz WMMWRAWTGOOPPA-VXGBXAGGSA-N 0 1 289.354 3.544 20 0 CHADMN CCc1ccc(CN(C)Cc2cnn(C(C)C)c2)cc1 ZINC000505603292 1122434019 /nfs/dbraw/zinc/43/40/19/1122434019.db2.gz CPIQAPJJQOHQIB-UHFFFAOYSA-N 0 1 271.408 3.658 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(C)nc2ccccc12 ZINC000505616706 1122439427 /nfs/dbraw/zinc/43/94/27/1122439427.db2.gz XBOSNKZVHLSAQB-GOEBONIOSA-N 0 1 284.403 3.543 20 0 CHADMN CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000505616634 1122439909 /nfs/dbraw/zinc/43/99/09/1122439909.db2.gz WRMRYDYWQSBXGK-HNAYVOBHSA-N 0 1 296.414 3.748 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1Cc1cccc(-c2ccncc2)c1 ZINC000505616634 1122439910 /nfs/dbraw/zinc/43/99/10/1122439910.db2.gz WRMRYDYWQSBXGK-HNAYVOBHSA-N 0 1 296.414 3.748 20 0 CHADMN Cc1ccccc1-c1cc(C(=O)Nc2ccsc2)[nH]n1 ZINC001187963319 1122447295 /nfs/dbraw/zinc/44/72/95/1122447295.db2.gz HUEQMEMSPZLMLF-UHFFFAOYSA-N 0 1 283.356 3.699 20 0 CHADMN CC(C)n1cncc1CN(C)[C@@H](C)c1ccccc1 ZINC000425324335 1122454296 /nfs/dbraw/zinc/45/42/96/1122454296.db2.gz MIIHHJJVBWTIRT-AWEZNQCLSA-N 0 1 257.381 3.657 20 0 CHADMN CC(C)n1cncc1CN1CCCCC[C@@H]1c1ccncc1 ZINC000425330783 1122454898 /nfs/dbraw/zinc/45/48/98/1122454898.db2.gz YJBDGQTXQMXLKA-GOSISDBHSA-N 0 1 298.434 3.976 20 0 CHADMN CC(C)n1cncc1CN1CCC[C@H](Nc2ccccc2)C1 ZINC000425331234 1122455128 /nfs/dbraw/zinc/45/51/28/1122455128.db2.gz CCUOLMBPPKEPDA-KRWDZBQOSA-N 0 1 298.434 3.541 20 0 CHADMN Brc1ccc2nc(NCc3ccoc3)[nH]c2c1 ZINC000775172265 1122465524 /nfs/dbraw/zinc/46/55/24/1122465524.db2.gz MLMXPYYYDKUIAZ-UHFFFAOYSA-N 0 1 292.136 3.531 20 0 CHADMN CC(C)C[C@H](C)CNCc1nc(-c2ccccc2)no1 ZINC000514972838 1122467729 /nfs/dbraw/zinc/46/77/29/1122467729.db2.gz RXYXHBJQTLCQTC-ZDUSSCGKSA-N 0 1 273.380 3.508 20 0 CHADMN C[C@H](SCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1 ZINC001188692505 1122473330 /nfs/dbraw/zinc/47/33/30/1122473330.db2.gz XHLAMGHDROKGRW-MCIONIFRSA-N 0 1 297.439 3.729 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccoc1)c1ccc2n[nH]cc2c1 ZINC000515079043 1122474614 /nfs/dbraw/zinc/47/46/14/1122474614.db2.gz PVDXIAZRFRBXDT-MNOVXSKESA-N 0 1 255.321 3.568 20 0 CHADMN Cc1cc(C(=O)Nc2c(Cl)ccc(O)c2Cl)c(C)[nH]1 ZINC001188999215 1122484562 /nfs/dbraw/zinc/48/45/62/1122484562.db2.gz CRLRLJJYLPKKHS-UHFFFAOYSA-N 0 1 299.157 3.896 20 0 CHADMN Cc1c(F)cccc1NC(=O)Nc1cc(O)c(F)c(F)c1 ZINC001189054875 1122486954 /nfs/dbraw/zinc/48/69/54/1122486954.db2.gz XILLUBQUVAKIRV-UHFFFAOYSA-N 0 1 296.248 3.762 20 0 CHADMN CC(C)=CCCSc1nc(Cc2ccccc2)n[nH]1 ZINC001189183738 1122491276 /nfs/dbraw/zinc/49/12/76/1122491276.db2.gz VFCYLQYRFVZVKA-UHFFFAOYSA-N 0 1 273.405 3.844 20 0 CHADMN CC(C)=CCCSc1n[nH]c(Cc2ccccc2)n1 ZINC001189183738 1122491278 /nfs/dbraw/zinc/49/12/78/1122491278.db2.gz VFCYLQYRFVZVKA-UHFFFAOYSA-N 0 1 273.405 3.844 20 0 CHADMN OCCC[C@H]1CCCN1Cc1csc(C(F)(F)F)c1 ZINC000628161312 1122491790 /nfs/dbraw/zinc/49/17/90/1122491790.db2.gz YURZSVSRQCYYGS-LLVKDONJSA-N 0 1 293.354 3.504 20 0 CHADMN c1ccc([C@@H]2C[C@H]2Nc2ccc3c(n2)CCCC3)cc1 ZINC000712280969 1122502478 /nfs/dbraw/zinc/50/24/78/1122502478.db2.gz TWLRCGCFLIUXPJ-DOTOQJQBSA-N 0 1 264.372 3.928 20 0 CHADMN c1nsc2ccc(Nc3ccc4cncn4c3)cc12 ZINC001250332296 1122503049 /nfs/dbraw/zinc/50/30/49/1122503049.db2.gz ZQIRRYSEXYKHTP-UHFFFAOYSA-N 0 1 266.329 3.688 20 0 CHADMN CCCCN(CC(=O)Nc1cccc(Cl)c1)C1CC1 ZINC000515545524 1122507673 /nfs/dbraw/zinc/50/76/73/1122507673.db2.gz XVJUYVHSESYVEM-UHFFFAOYSA-N 0 1 280.799 3.543 20 0 CHADMN CSc1ccccc1C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000436156916 1122517774 /nfs/dbraw/zinc/51/77/74/1122517774.db2.gz ACTRAHVTXKHCDO-UHFFFAOYSA-N 0 1 297.330 3.630 20 0 CHADMN Cc1ncc(CN(C)C[C@H]2CC3(CO2)CCCCC3)s1 ZINC001190392930 1122534762 /nfs/dbraw/zinc/53/47/62/1122534762.db2.gz VLVLKAQDXOKUTA-CQSZACIVSA-N 0 1 294.464 3.623 20 0 CHADMN FCCN[C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000436300408 1122534930 /nfs/dbraw/zinc/53/49/30/1122534930.db2.gz UVIWAMPVTBPCBG-AWEZNQCLSA-N 0 1 263.356 3.772 20 0 CHADMN CN(C)c1cccc(CN2CCC[C@H]2c2ccsc2)n1 ZINC001190349342 1122535172 /nfs/dbraw/zinc/53/51/72/1122535172.db2.gz VLCNBEHAEKIQRY-HNNXBMFYSA-N 0 1 287.432 3.546 20 0 CHADMN CCCOC(=O)[C@H](C)N(C)C1CCC(C(C)(C)C)CC1 ZINC001190589861 1122546127 /nfs/dbraw/zinc/54/61/27/1122546127.db2.gz UQCQXPDRJJDOLT-NFOMZHRRSA-N 0 1 283.456 3.865 20 0 CHADMN [O-]c1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c(F)c(F)c1Cl ZINC001250387021 1122549105 /nfs/dbraw/zinc/54/91/05/1122549105.db2.gz GAUKMIZBXRVNLT-IUCAKERBSA-N 0 1 287.737 3.556 20 0 CHADMN COc1cc(CN2CCc3ccccc3C2)ccc1C ZINC000436481933 1122552870 /nfs/dbraw/zinc/55/28/70/1122552870.db2.gz FXFWNGFATHFVNJ-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN Cc1cncc(CN2CCC(CCc3ccccc3)CC2)n1 ZINC001203171423 1122558811 /nfs/dbraw/zinc/55/88/11/1122558811.db2.gz WMQGVSPDGKIFGN-UHFFFAOYSA-N 0 1 295.430 3.630 20 0 CHADMN Cc1cccc(Cl)c1CN1CCS[C@H](C)[C@H]1C ZINC001191022248 1122565443 /nfs/dbraw/zinc/56/54/43/1122565443.db2.gz RSPLJRMXMMRLHE-VXGBXAGGSA-N 0 1 269.841 3.974 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)CCc2ccccc2)c1 ZINC000436653185 1122568056 /nfs/dbraw/zinc/56/80/56/1122568056.db2.gz SRCCRQAAQDMLPK-UHFFFAOYSA-N 0 1 297.354 3.556 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C[C@@H]2CCC[C@H]2C)c1 ZINC000436651289 1122568314 /nfs/dbraw/zinc/56/83/14/1122568314.db2.gz VHXOJTGRRSOBCE-NEPJUHHUSA-N 0 1 289.375 3.750 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H]2CC=CC[C@H]2C)c1 ZINC000436642587 1122569063 /nfs/dbraw/zinc/56/90/63/1122569063.db2.gz BLRCCWLAMLOMIO-DGCLKSJQSA-N 0 1 287.359 3.526 20 0 CHADMN C[C@@H]1C[C@H]1CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000516119034 1122570720 /nfs/dbraw/zinc/57/07/20/1122570720.db2.gz AKEIEBOEGNKZDP-MNOVXSKESA-N 0 1 295.342 3.808 20 0 CHADMN CC[C@H]1CN(Cc2cccc(C(C)(C)C)c2)C[C@H](C)O1 ZINC001191048852 1122571023 /nfs/dbraw/zinc/57/10/23/1122571023.db2.gz UKPSMRSFHVJAOS-YOEHRIQHSA-N 0 1 275.436 3.983 20 0 CHADMN C[C@H]1CC[C@@]2(CCN(C(=O)c3ccc(O)c(Cl)c3)C2)C1 ZINC000436726144 1122574057 /nfs/dbraw/zinc/57/40/57/1122574057.db2.gz WMZYKHXPXZIEOS-MEDUHNTESA-N 0 1 293.794 3.698 20 0 CHADMN c1cc(CCNc2ccc3c(n2)CCCC3)cs1 ZINC000712362164 1122574933 /nfs/dbraw/zinc/57/49/33/1122574933.db2.gz GKZCOGHXKURHSA-UHFFFAOYSA-N 0 1 258.390 3.677 20 0 CHADMN CC(C)C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000516188159 1122577258 /nfs/dbraw/zinc/57/72/58/1122577258.db2.gz VWIGNKFYVNKHBK-GFCCVEGCSA-N 0 1 295.810 3.906 20 0 CHADMN CCOc1ccccc1CN[C@@H](c1ccccn1)C(C)C ZINC000775447245 1122584787 /nfs/dbraw/zinc/58/47/87/1122584787.db2.gz YQXGWKKPBPDUMJ-GOSISDBHSA-N 0 1 284.403 3.967 20 0 CHADMN Cc1nc2ccccn2c1CN[C@@H](c1ccccn1)C(C)C ZINC000775451259 1122593012 /nfs/dbraw/zinc/59/30/12/1122593012.db2.gz ZTMOGIDZVVHJOD-GOSISDBHSA-N 0 1 294.402 3.525 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1c(O)cccc1F ZINC000436982330 1122599907 /nfs/dbraw/zinc/59/99/07/1122599907.db2.gz TZLJPYWWGDXPSU-WCQYABFASA-N 0 1 279.355 3.572 20 0 CHADMN Cc1[nH]ncc1CNc1ccccc1O[C@@H](C)C(F)(F)F ZINC000288379538 1122604873 /nfs/dbraw/zinc/60/48/73/1122604873.db2.gz FUWWSHLAOSIFSF-JTQLQIEISA-N 0 1 299.296 3.660 20 0 CHADMN FC(F)(F)Oc1cc2[nH]c(C3CC3)nc2cc1Cl ZINC001250427084 1122605404 /nfs/dbraw/zinc/60/54/04/1122605404.db2.gz PYMQTHRFKXPRGK-UHFFFAOYSA-N 0 1 276.645 3.992 20 0 CHADMN CCN(C(=O)c1cc(F)cc2[nH]cnc21)c1ccccc1C ZINC000516525910 1122608806 /nfs/dbraw/zinc/60/88/06/1122608806.db2.gz LZAKXOCRVLDWEU-UHFFFAOYSA-N 0 1 297.333 3.677 20 0 CHADMN CC[C@@H](NCc1cccc(CSC)c1)c1ccn(C)n1 ZINC000437103906 1122613388 /nfs/dbraw/zinc/61/33/88/1122613388.db2.gz BUFWZRAEXRJLEO-OAHLLOKOSA-N 0 1 289.448 3.524 20 0 CHADMN C[C@]1(c2ccccc2)CC[C@H](N2CCO[C@H]3CCC[C@@H]32)C1 ZINC000437137868 1122615950 /nfs/dbraw/zinc/61/59/50/1122615950.db2.gz OLAIMGPVOLSUDI-VJANTYMQSA-N 0 1 285.431 3.750 20 0 CHADMN COc1cc([C@H](C)NCc2oc3ccccc3c2C)ccn1 ZINC000516669364 1122619683 /nfs/dbraw/zinc/61/96/83/1122619683.db2.gz VTCYZKGUKXCURX-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN COc1ccc(Oc2ccc(CNCCF)cc2)cc1 ZINC000437243412 1122622810 /nfs/dbraw/zinc/62/28/10/1122622810.db2.gz CCBBFDLXJSSFAT-UHFFFAOYSA-N 0 1 275.323 3.547 20 0 CHADMN CN(CCCC1CCC1)Cc1nc2ccccc2n1C ZINC001191998103 1122624094 /nfs/dbraw/zinc/62/40/94/1122624094.db2.gz PTRLJNJBXCIQFZ-UHFFFAOYSA-N 0 1 271.408 3.585 20 0 CHADMN Cc1[nH]nc2cc(-c3ccc(C(F)(F)F)cn3)ccc12 ZINC001250448225 1122627606 /nfs/dbraw/zinc/62/76/06/1122627606.db2.gz YIWJGKPKOSIRJE-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN COc1ccc(CN(Cc2cccs2)C(C)C)cn1 ZINC000437587764 1122644500 /nfs/dbraw/zinc/64/45/00/1122644500.db2.gz HMZSSYYXDWSRAQ-UHFFFAOYSA-N 0 1 276.405 3.562 20 0 CHADMN CC(C)(C)C1CCN(C(=O)c2c(O)ccc(F)c2F)CC1 ZINC001192717625 1122657687 /nfs/dbraw/zinc/65/76/87/1122657687.db2.gz DCDPZHHSKYQXTG-UHFFFAOYSA-N 0 1 297.345 3.569 20 0 CHADMN O=C(Nc1ccccc1C(F)F)c1c(O)ccc(F)c1F ZINC001192765201 1122658233 /nfs/dbraw/zinc/65/82/33/1122658233.db2.gz UNGXVEGBXPERQE-UHFFFAOYSA-N 0 1 299.223 3.860 20 0 CHADMN Cc1ccccc1[C@@H](C)N1CCO[C@@H](Cc2ccccc2)C1 ZINC001192847703 1122659713 /nfs/dbraw/zinc/65/97/13/1122659713.db2.gz KVRANMIQAVVATF-MJGOQNOKSA-N 0 1 295.426 4.000 20 0 CHADMN Cc1ccc(C)c(OCCN(C)Cc2cccc(C)n2)c1 ZINC000437901040 1122661996 /nfs/dbraw/zinc/66/19/96/1122661996.db2.gz IZLICBZPYPKWRS-UHFFFAOYSA-N 0 1 284.403 3.518 20 0 CHADMN Clc1cc(Cl)cc(CCN2CCCSCC2)c1 ZINC001193043295 1122668941 /nfs/dbraw/zinc/66/89/41/1122668941.db2.gz GUBATYLLRDGMHX-UHFFFAOYSA-N 0 1 290.259 3.975 20 0 CHADMN C[C@H]1SCCN(Cc2cc3c(cccc3F)[nH]2)[C@H]1C ZINC000438092447 1122674544 /nfs/dbraw/zinc/67/45/44/1122674544.db2.gz GNBOIZYOXGDBCB-WDEREUQCSA-N 0 1 278.396 3.633 20 0 CHADMN Fc1cc(Cl)ccc1CN1CC[C@@H](C2CC2)C1 ZINC000438092831 1122676168 /nfs/dbraw/zinc/67/61/68/1122676168.db2.gz BCTXOXLEQJISDM-LLVKDONJSA-N 0 1 253.748 3.711 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCC2(CCC2)C1 ZINC000438105095 1122678508 /nfs/dbraw/zinc/67/85/08/1122678508.db2.gz ZBJWKAUODYVIBH-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN COC(=O)[C@H](NC[C@H]1CCCC[C@@H]1C)C1CCCCC1 ZINC001193167106 1122679912 /nfs/dbraw/zinc/67/99/12/1122679912.db2.gz WBPZVTWUBUJEAJ-NUEKZKHPSA-N 0 1 281.440 3.524 20 0 CHADMN Cc1cc(F)ccc1CN1Cc2ccccc2OC[C@@H]1C ZINC001193309980 1122683943 /nfs/dbraw/zinc/68/39/43/1122683943.db2.gz MJDIEBDPQHYFMD-AWEZNQCLSA-N 0 1 285.362 3.917 20 0 CHADMN CCOc1cccc(CN(C)Cc2ccc(F)c(F)c2)c1 ZINC000506187584 1122685347 /nfs/dbraw/zinc/68/53/47/1122685347.db2.gz FMMAFBORQFEROG-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN C[C@@H]1CN(Cc2cc3ccccc3s2)[C@H](C)[C@H](C)O1 ZINC000438349941 1122692463 /nfs/dbraw/zinc/69/24/63/1122692463.db2.gz CQSUDGGCYUAFTR-UPJWGTAASA-N 0 1 275.417 3.899 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2nc(C(C)(C)C)co2)C1 ZINC001193498056 1122694177 /nfs/dbraw/zinc/69/41/77/1122694177.db2.gz VTXNDIXQWKQAOM-CYBMUJFWSA-N 0 1 264.413 3.840 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)[C@H](C)[C@H](C)O1 ZINC000438366496 1122694742 /nfs/dbraw/zinc/69/47/42/1122694742.db2.gz WTISRRIDWSOBOG-OAGGEKHMSA-N 0 1 296.414 3.746 20 0 CHADMN CC(C)c1nc([C@H](C)NCc2cccc(C3CC3)c2)n[nH]1 ZINC000517728578 1122696708 /nfs/dbraw/zinc/69/67/08/1122696708.db2.gz WEEXANLYYKXDNV-LBPRGKRZSA-N 0 1 284.407 3.656 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCCCC(C)(C)C2)c1 ZINC000438392749 1122698083 /nfs/dbraw/zinc/69/80/83/1122698083.db2.gz NNOIDCBXOJYOSF-UHFFFAOYSA-N 0 1 285.391 3.524 20 0 CHADMN Cc1nc(CN[C@H](CC(F)(F)F)C(C)C)cs1 ZINC000438477159 1122703432 /nfs/dbraw/zinc/70/34/32/1122703432.db2.gz KCHCWAXOYMECJR-SNVBAGLBSA-N 0 1 266.332 3.518 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CC[C@@H](C(C)C)C1 ZINC000438498791 1122704634 /nfs/dbraw/zinc/70/46/34/1122704634.db2.gz VOAWBMWTGACJNS-CYBMUJFWSA-N 0 1 289.398 3.673 20 0 CHADMN FC(F)(F)c1cc2nc(-c3ncccn3)[nH]c2c(Cl)c1 ZINC001250523880 1122704763 /nfs/dbraw/zinc/70/47/63/1122704763.db2.gz KWNFEHNPVYQCKD-UHFFFAOYSA-N 0 1 298.655 3.692 20 0 CHADMN CC(C)CCc1noc(CN[C@@H]2CCC(C)(C)C[C@@H]2C)n1 ZINC001193664775 1122708260 /nfs/dbraw/zinc/70/82/60/1122708260.db2.gz ZUKQXOJVVWFAQS-UONOGXRCSA-N 0 1 293.455 3.963 20 0 CHADMN CC(C)CCc1noc(CN[C@@H]2CCC(C)(C)C[C@H]2C)n1 ZINC001193664776 1122708691 /nfs/dbraw/zinc/70/86/91/1122708691.db2.gz ZUKQXOJVVWFAQS-ZIAGYGMSSA-N 0 1 293.455 3.963 20 0 CHADMN Cc1cccc(CN2CCO[C@H](c3ccccc3)C2)c1C ZINC000506327865 1122718597 /nfs/dbraw/zinc/71/85/97/1122718597.db2.gz VJUAHXNOYSUMFF-IBGZPJMESA-N 0 1 281.399 3.877 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2cc(Cl)cs2)C[C@@H]1O ZINC000426166094 1122725151 /nfs/dbraw/zinc/72/51/51/1122725151.db2.gz BWNVWNGLJIDGGP-OLZOCXBDSA-N 0 1 287.856 3.630 20 0 CHADMN COCCN(C)Cc1cc(Cl)ccc1OC1CCCC1 ZINC000506367327 1122725214 /nfs/dbraw/zinc/72/52/14/1122725214.db2.gz DIYLLXAHGGDPBZ-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN COc1cc(C)ccc1CN[C@@H]1CCCc2ccc(O)cc21 ZINC000438822720 1122729645 /nfs/dbraw/zinc/72/96/45/1122729645.db2.gz ACDFMEQEFOXPCJ-GOSISDBHSA-N 0 1 297.398 3.876 20 0 CHADMN Cc1cccc2nc(CNCc3ccc([C@H]4C[C@H]4C)o3)[nH]c21 ZINC000153635584 1129074464 /nfs/dbraw/zinc/07/44/64/1129074464.db2.gz CFEOQKDYHPJMQH-OCCSQVGLSA-N 0 1 295.386 3.878 20 0 CHADMN Cc1c([C@H](C)NCc2c(C)cccc2Cl)cnn1C ZINC000294913874 1122737708 /nfs/dbraw/zinc/73/77/08/1122737708.db2.gz FYDZFVZXSDGNRR-NSHDSACASA-N 0 1 277.799 3.541 20 0 CHADMN Cc1cc(CNCc2ccc(OC(C)(C)C)nc2)cs1 ZINC000294942284 1122738836 /nfs/dbraw/zinc/73/88/36/1122738836.db2.gz CSIZBZHKEWCQFU-UHFFFAOYSA-N 0 1 290.432 3.919 20 0 CHADMN c1cn(-c2ccccc2)c(NCc2csc(C3CC3)n2)n1 ZINC000438935985 1122741815 /nfs/dbraw/zinc/74/18/15/1122741815.db2.gz ZQENQWGOKSQRGP-UHFFFAOYSA-N 0 1 296.399 3.818 20 0 CHADMN C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1cccc(O)c1 ZINC000295141405 1122744228 /nfs/dbraw/zinc/74/42/28/1122744228.db2.gz ZVEXIVMAFYRZJU-PWSUYJOCSA-N 0 1 273.298 3.555 20 0 CHADMN Fc1cc2nc([C@H]3CCCO3)[nH]c2c(C(F)(F)F)c1 ZINC001250560572 1122759110 /nfs/dbraw/zinc/75/91/10/1122759110.db2.gz CZKJYCSHAJPDAR-SECBINFHSA-N 0 1 274.217 3.572 20 0 CHADMN CCOc1cc(F)c(CN2C[C@H]3CCCC[C@@H]3C2)c(F)c1 ZINC001143565582 1122760718 /nfs/dbraw/zinc/76/07/18/1122760718.db2.gz ZMJGJLKWKWXJGX-CHWSQXEVSA-N 0 1 295.373 3.986 20 0 CHADMN Cc1ccc2c(C)cc(N3CCC[C@H](CC(=O)[O-])C3)[nH+]c2c1 ZINC000518494858 1122762479 /nfs/dbraw/zinc/76/24/79/1122762479.db2.gz VCMZPWGHMWDFFR-CQSZACIVSA-N 0 1 298.386 3.543 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1cn2ccccc2n1 ZINC000518562297 1122768410 /nfs/dbraw/zinc/76/84/10/1122768410.db2.gz FEZFJGWHXUANIJ-YOEHRIQHSA-N 0 1 291.398 3.981 20 0 CHADMN Cc1nc2ccc(CN(C)Cc3ccncc3)cc2s1 ZINC000426353144 1122772170 /nfs/dbraw/zinc/77/21/70/1122772170.db2.gz STNJTIBHRPDWOP-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN COCc1ccc(CN(C)Cc2cccc3[nH]ccc32)o1 ZINC000426385347 1122779327 /nfs/dbraw/zinc/77/93/27/1122779327.db2.gz NAHAPEKEKOBMAX-UHFFFAOYSA-N 0 1 284.359 3.539 20 0 CHADMN CC[C@@H](OCCN1CCC[C@@](C)(F)C1)c1ccccc1 ZINC001194598932 1122785259 /nfs/dbraw/zinc/78/52/59/1122785259.db2.gz HVRVZUCJJRCEMX-IAGOWNOFSA-N 0 1 279.399 3.978 20 0 CHADMN O=C(Nc1ncc(F)cc1O)Oc1ccc2ccccc2c1 ZINC001194631743 1122786368 /nfs/dbraw/zinc/78/63/68/1122786368.db2.gz GDXKTXRGHGOOCF-UHFFFAOYSA-N 0 1 298.273 3.690 20 0 CHADMN CCCc1csc(CN2CCC[C@H](C)CC2)n1 ZINC000426409523 1122788295 /nfs/dbraw/zinc/78/82/95/1122788295.db2.gz HNYVIMNLSUNZPI-LBPRGKRZSA-N 0 1 252.427 3.718 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1Cn1cccnc1=S ZINC000193429655 1129077955 /nfs/dbraw/zinc/07/79/55/1129077955.db2.gz ZUYIXGGKOYJPOD-OAHLLOKOSA-N 0 1 285.416 3.716 20 0 CHADMN CCCc1csc(C[N@H+]2CCC[C@@H](C)CC2)n1 ZINC000426409522 1122788068 /nfs/dbraw/zinc/78/80/68/1122788068.db2.gz HNYVIMNLSUNZPI-GFCCVEGCSA-N 0 1 252.427 3.718 20 0 CHADMN CCCc1csc(CN2CCC[C@@H](C)CC2)n1 ZINC000426409522 1122788069 /nfs/dbraw/zinc/78/80/69/1122788069.db2.gz HNYVIMNLSUNZPI-GFCCVEGCSA-N 0 1 252.427 3.718 20 0 CHADMN CCCc1csc(C[N@H+]2CCC[C@H](C)CC2)n1 ZINC000426409523 1122788292 /nfs/dbraw/zinc/78/82/92/1122788292.db2.gz HNYVIMNLSUNZPI-LBPRGKRZSA-N 0 1 252.427 3.718 20 0 CHADMN C[C@H]1CN(CCCc2cccc3ccccc32)CCC1=O ZINC000429667408 1122791489 /nfs/dbraw/zinc/79/14/89/1122791489.db2.gz KEXPVRVRKRMOQG-HNNXBMFYSA-N 0 1 281.399 3.683 20 0 CHADMN CC(C)[C@H](C)[N@@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000518827106 1122794855 /nfs/dbraw/zinc/79/48/55/1122794855.db2.gz KITSUHJQRJTWOB-LBPRGKRZSA-N 0 1 276.355 3.957 20 0 CHADMN c1csc(-c2nc(CN3CC[C@@H]4CCC[C@@H]43)co2)c1 ZINC000426461425 1122798324 /nfs/dbraw/zinc/79/83/24/1122798324.db2.gz PDQDINZNMPZSQT-AAEUAGOBSA-N 0 1 274.389 3.778 20 0 CHADMN CC[C@H](C[C@@H](C)CO)Nc1ccnc2cc(F)ccc21 ZINC000439711185 1122799099 /nfs/dbraw/zinc/79/90/99/1122799099.db2.gz TXLTUROYPLIYAC-DGCLKSJQSA-N 0 1 276.355 3.583 20 0 CHADMN CC(C)c1nc(CN2CC[C@H]3CCC[C@H]32)cs1 ZINC000426469122 1122799785 /nfs/dbraw/zinc/79/97/85/1122799785.db2.gz HHPIOBVPZHLBRT-DGCLKSJQSA-N 0 1 250.411 3.641 20 0 CHADMN CC(=O)C1(c2ccccc2)CCN(Cc2ccc(C)o2)CC1 ZINC001203297421 1122800851 /nfs/dbraw/zinc/80/08/51/1122800851.db2.gz AOXYRSOYMYZSAT-UHFFFAOYSA-N 0 1 297.398 3.711 20 0 CHADMN Fc1cc(Cl)cc(CN2CCC([C@@H]3CCCO3)CC2)c1 ZINC000439785065 1122804845 /nfs/dbraw/zinc/80/48/45/1122804845.db2.gz XWGSTNUIOYYPDZ-INIZCTEOSA-N 0 1 297.801 3.870 20 0 CHADMN CN(Cc1ccccc1F)[C@@H]1CCc2ccccc21 ZINC000506691379 1122807320 /nfs/dbraw/zinc/80/73/20/1122807320.db2.gz YRCOBDSXVHCQCQ-QGZVFWFLSA-N 0 1 255.336 3.945 20 0 CHADMN CC(C)CCOC(=O)Nc1cnccc1N1CCCCC1 ZINC001194851513 1122812958 /nfs/dbraw/zinc/81/29/58/1122812958.db2.gz HBCSJWPNZXARQM-UHFFFAOYSA-N 0 1 291.395 3.667 20 0 CHADMN CN(Cc1cnc(C2CCC2)s1)[C@H]1CC1(C)C ZINC000426536174 1122815502 /nfs/dbraw/zinc/81/55/02/1122815502.db2.gz ANSCWEGEXFYFNY-LBPRGKRZSA-N 0 1 250.411 3.641 20 0 CHADMN C[C@@H]1c2ccsc2CCN1Cc1ccc2c(c1)CCO2 ZINC000506734416 1122818383 /nfs/dbraw/zinc/81/83/83/1122818383.db2.gz IVOPUMFQRPRQEW-GFCCVEGCSA-N 0 1 285.412 3.802 20 0 CHADMN COc1ccccc1CN1CCc2sccc2[C@@H]1C ZINC000506743671 1122819353 /nfs/dbraw/zinc/81/93/53/1122819353.db2.gz MVXIDWNFCVOKRY-LBPRGKRZSA-N 0 1 273.401 3.876 20 0 CHADMN CCC[N@H+](Cc1cccc([O-])c1Cl)CC1CC1 ZINC000506805130 1122833212 /nfs/dbraw/zinc/83/32/12/1122833212.db2.gz KELAQOGMXYPASN-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN COc1cccc(CN(C)Cc2cc(C)cc(C)c2)c1OC ZINC000506744531 1122820390 /nfs/dbraw/zinc/82/03/90/1122820390.db2.gz RCOWLOWMJSULNU-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN C[C@@H](NCc1cccc2c1OCO2)c1cc2ccccc2[nH]1 ZINC000775621844 1122827297 /nfs/dbraw/zinc/82/72/97/1122827297.db2.gz NANVACVSGSSUSA-GFCCVEGCSA-N 0 1 294.354 3.747 20 0 CHADMN CCC[N@@H+](Cc1cccc([O-])c1Cl)CC1CC1 ZINC000506805130 1122833208 /nfs/dbraw/zinc/83/32/08/1122833208.db2.gz KELAQOGMXYPASN-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN CCCC=Cc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000664795875 1122837247 /nfs/dbraw/zinc/83/72/47/1122837247.db2.gz YBJFIFMMPUVLMH-AATRIKPKSA-N 0 1 268.320 3.735 20 0 CHADMN Cc1ccccc1N(Cc1n[nH]c(C(C)(C)C)n1)C(C)C ZINC001167967400 1122846669 /nfs/dbraw/zinc/84/66/69/1122846669.db2.gz GKJIPSMOOCVRJS-UHFFFAOYSA-N 0 1 286.423 3.826 20 0 CHADMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1ocnc1C ZINC000894420493 1122850475 /nfs/dbraw/zinc/85/04/75/1122850475.db2.gz NNGHNWXXKZKBMH-XHDPSFHLSA-N 0 1 294.782 3.502 20 0 CHADMN CN(C/C=C/Cl)CCCc1cc(-c2ccccc2)no1 ZINC000101729944 1122852079 /nfs/dbraw/zinc/85/20/79/1122852079.db2.gz DOEVYTSYQAJBAG-UXBLZVDNSA-N 0 1 290.794 3.959 20 0 CHADMN COc1ccc(-c2ccc(Cl)c(O)c2F)cc1F ZINC001250621296 1122852185 /nfs/dbraw/zinc/85/21/85/1122852185.db2.gz ZNXKTINFAOWQSC-UHFFFAOYSA-N 0 1 270.662 3.999 20 0 CHADMN COc1cccc([C@H]2C[C@@H](C)CN2Cc2[nH]nc(C)c2C)c1 ZINC000894446645 1122853647 /nfs/dbraw/zinc/85/36/47/1122853647.db2.gz XLOIUMXYOIGJSO-KZULUSFZSA-N 0 1 299.418 3.618 20 0 CHADMN COCc1c(C)cc(C)c(CN(C)Cc2ccccn2)c1C ZINC000894450228 1122855154 /nfs/dbraw/zinc/85/51/54/1122855154.db2.gz GXNSKSDXSUQZLG-UHFFFAOYSA-N 0 1 298.430 3.785 20 0 CHADMN CCn1ccnc1CN[C@@H](C)c1cc2ccccc2s1 ZINC000265661598 1129082703 /nfs/dbraw/zinc/08/27/03/1129082703.db2.gz RSEUNITVNUPGCD-LBPRGKRZSA-N 0 1 285.416 3.969 20 0 CHADMN C[C@H](NC[C@H](O)c1ccc2ccccc2c1)c1nccs1 ZINC000080305378 1129082933 /nfs/dbraw/zinc/08/29/33/1129082933.db2.gz WNFOADYWXNYZFG-LRDDRELGSA-N 0 1 298.411 3.681 20 0 CHADMN CCn1ccnc1CN[C@H](C)c1cc2ccccc2s1 ZINC000265661597 1129083046 /nfs/dbraw/zinc/08/30/46/1129083046.db2.gz RSEUNITVNUPGCD-GFCCVEGCSA-N 0 1 285.416 3.969 20 0 CHADMN COc1ccc(CN[C@H]2CCCc3ccc(C)cc32)o1 ZINC000894521162 1122866685 /nfs/dbraw/zinc/86/66/85/1122866685.db2.gz UAGVTQJYIBBOHB-INIZCTEOSA-N 0 1 271.360 3.764 20 0 CHADMN Cc1cccc(C)c1CN(Cc1ccon1)CC(C)C ZINC001195413681 1122867511 /nfs/dbraw/zinc/86/75/11/1122867511.db2.gz QTOMHQXNTMVALW-UHFFFAOYSA-N 0 1 272.392 3.950 20 0 CHADMN CC(C)(C)c1coc(CN2CCC[C@@H](C3CC3)C2)n1 ZINC000894523305 1122868015 /nfs/dbraw/zinc/86/80/15/1122868015.db2.gz VLHZFKRBOBRFCK-CYBMUJFWSA-N 0 1 262.397 3.594 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CN1CCC(F)(F)[C@@H](C)C1 ZINC000894534186 1122869797 /nfs/dbraw/zinc/86/97/97/1122869797.db2.gz LOQLZPVTCIPYSZ-NSHDSACASA-N 0 1 285.382 3.558 20 0 CHADMN CO[C@H](CN1CC(C)(C)[C@@H]1c1ccncc1)c1ccccc1 ZINC000664830209 1122873659 /nfs/dbraw/zinc/87/36/59/1122873659.db2.gz SNFORJIFOOZUQL-MSOLQXFVSA-N 0 1 296.414 3.852 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1cnnn1C)c1ccccc1Cl ZINC000925075720 1122873829 /nfs/dbraw/zinc/87/38/29/1122873829.db2.gz LOBBBKYKPVFGBX-XHDPSFHLSA-N 0 1 292.814 3.516 20 0 CHADMN CC(C)c1nnc(CNc2cc3c(cn2)CCCC3)s1 ZINC000894572758 1122874644 /nfs/dbraw/zinc/87/46/44/1122874644.db2.gz NAXWAJZSVWCNHL-UHFFFAOYSA-N 0 1 288.420 3.547 20 0 CHADMN COc1ccc(F)cc1-c1nc2ccc(F)cc2[nH]1 ZINC001250694751 1122878584 /nfs/dbraw/zinc/87/85/84/1122878584.db2.gz AVLOIUXOZVGUJY-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN CCOc1ccc(CN[C@@H]2CCCc3c(F)cccc32)o1 ZINC000894658384 1122885597 /nfs/dbraw/zinc/88/55/97/1122885597.db2.gz GBDHVTMURXNEAL-MRXNPFEDSA-N 0 1 289.350 3.985 20 0 CHADMN C[C@]1(Cc2cccc(Cl)c2)CCCN1CC1=NOCC1 ZINC001195758379 1122885737 /nfs/dbraw/zinc/88/57/37/1122885737.db2.gz REWLAOXTWSNRIF-MRXNPFEDSA-N 0 1 292.810 3.513 20 0 CHADMN C[C@H]1CCCC[C@H]1OCCN(C)Cc1ccccc1F ZINC000058562954 1122891225 /nfs/dbraw/zinc/89/12/25/1122891225.db2.gz ODKIBTHDXQKDDQ-WMLDXEAASA-N 0 1 279.399 3.853 20 0 CHADMN c1c2c(oc1-c1ccccc1)CCN(C[C@H]1CCCCO1)C2 ZINC001195877137 1122896419 /nfs/dbraw/zinc/89/64/19/1122896419.db2.gz RTFUNVXWCLSSPX-QGZVFWFLSA-N 0 1 297.398 3.874 20 0 CHADMN C[C@H]1CC[C@@H](CSc2nc3ccc(Cl)cc3[nH]2)O1 ZINC000473795614 1122898587 /nfs/dbraw/zinc/89/85/87/1122898587.db2.gz KXJHDWJQYAZDEL-WPRPVWTQSA-N 0 1 282.796 3.876 20 0 CHADMN COC(=O)[C@@]1(NC[C@@H]2CCCC[C@H]2C)CC[C@@H](C)CC1 ZINC001195970387 1122898898 /nfs/dbraw/zinc/89/88/98/1122898898.db2.gz MCNDHNSMRKNOHJ-PNBKFKSVSA-N 0 1 281.440 3.524 20 0 CHADMN Cc1oc(C(C)(C)C)cc1CNCc1cnccc1C ZINC000894731001 1122899794 /nfs/dbraw/zinc/89/97/94/1122899794.db2.gz YQQZHVLIFWPISF-UHFFFAOYSA-N 0 1 272.392 3.879 20 0 CHADMN c1cc(C[N@H+]2CCC[C@H]2c2ccncc2)c2c(c1)CCCN2 ZINC000894760432 1122901042 /nfs/dbraw/zinc/90/10/42/1122901042.db2.gz FUIKCQRKGHXAFZ-SFHVURJKSA-N 0 1 293.414 3.777 20 0 CHADMN Cc1cccc(C)c1[C@H]1CCCN1Cc1n[nH]c(C(C)C)n1 ZINC001196024440 1122903332 /nfs/dbraw/zinc/90/33/32/1122903332.db2.gz ZGEKEQYUFAZDMB-OAHLLOKOSA-N 0 1 298.434 3.882 20 0 CHADMN Cc1nc([C@@H](C)NCc2ccc(C3CCCC3)cc2)n[nH]1 ZINC000894773496 1122903360 /nfs/dbraw/zinc/90/33/60/1122903360.db2.gz JMRNPQYOFZYIMA-GFCCVEGCSA-N 0 1 284.407 3.622 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CNc1ccc2c(n1)CCC2 ZINC000894760845 1122903371 /nfs/dbraw/zinc/90/33/71/1122903371.db2.gz NAPFHNVWTBKEGB-UHFFFAOYSA-N 0 1 284.407 3.577 20 0 CHADMN Cc1cccc(C)c1[C@@H]1CCCN1Cc1n[nH]c(C(C)C)n1 ZINC001196024434 1122903411 /nfs/dbraw/zinc/90/34/11/1122903411.db2.gz ZGEKEQYUFAZDMB-HNNXBMFYSA-N 0 1 298.434 3.882 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN1CCC[C@H](C)C1 ZINC000338907297 1122904024 /nfs/dbraw/zinc/90/40/24/1122904024.db2.gz JHPXYVJHNSVWKO-NSHDSACASA-N 0 1 276.405 3.943 20 0 CHADMN C[C@@H]1CC2(CC(Nc3ccc4cnccc4c3)C2)CO1 ZINC000894807255 1122906900 /nfs/dbraw/zinc/90/69/00/1122906900.db2.gz GAEAXCRSNPDEMQ-AXOLYNHLSA-N 0 1 268.360 3.604 20 0 CHADMN Cc1ccccc1CC1CN(Cc2ccnn2C2CCC2)C1 ZINC000894820342 1122907955 /nfs/dbraw/zinc/90/79/55/1122907955.db2.gz OHQDDRUUTJEAIK-UHFFFAOYSA-N 0 1 295.430 3.591 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)cc1 ZINC000440479950 1122910825 /nfs/dbraw/zinc/91/08/25/1122910825.db2.gz IQOUQHQUJUXHJV-UHFFFAOYSA-N 0 1 283.419 3.794 20 0 CHADMN CCc1ccc(CN(C)Cc2cnc(C(C)C)nc2)cc1 ZINC000440479950 1122910831 /nfs/dbraw/zinc/91/08/31/1122910831.db2.gz IQOUQHQUJUXHJV-UHFFFAOYSA-N 0 1 283.419 3.794 20 0 CHADMN CC(C)(C(=O)Nc1ncc(C(F)(F)F)[nH]1)C1CCCC1 ZINC000506917195 1122911681 /nfs/dbraw/zinc/91/16/81/1122911681.db2.gz MMNPVCMQSVKWCE-UHFFFAOYSA-N 0 1 289.301 3.583 20 0 CHADMN CC1(C)CCCC[C@@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000506915514 1122912221 /nfs/dbraw/zinc/91/22/21/1122912221.db2.gz GOEZUZZAQWNABX-MRVPVSSYSA-N 0 1 289.301 3.583 20 0 CHADMN CC(C)CCc1noc(CN2CCC[C@@H](C3CCC3)C2)n1 ZINC001196254829 1122913101 /nfs/dbraw/zinc/91/31/01/1122913101.db2.gz OTUNYKFONFAAKI-OAHLLOKOSA-N 0 1 291.439 3.670 20 0 CHADMN O=C(Nc1[nH]nc2c1cccc2Cl)c1cccs1 ZINC000154273585 1129086597 /nfs/dbraw/zinc/08/65/97/1129086597.db2.gz ACUGHHLWVTVOER-UHFFFAOYSA-N 0 1 277.736 3.530 20 0 CHADMN COCC1(NCc2c(F)cccc2Cl)CCCCC1 ZINC001196440693 1122920496 /nfs/dbraw/zinc/92/04/96/1122920496.db2.gz GIYHHGPWDMCWNF-UHFFFAOYSA-N 0 1 285.790 3.918 20 0 CHADMN COCc1ccc(-c2nc3cccc(C)c3[nH]2)cc1 ZINC000154395998 1129087284 /nfs/dbraw/zinc/08/72/84/1129087284.db2.gz GRAXIFLSVMGBOM-UHFFFAOYSA-N 0 1 252.317 3.685 20 0 CHADMN CCc1ccc(CN2CCc3c(O)cccc3C2)cc1 ZINC001196706253 1122929884 /nfs/dbraw/zinc/92/98/84/1122929884.db2.gz HINJOFVJRNBMAU-UHFFFAOYSA-N 0 1 267.372 3.513 20 0 CHADMN Cc1nc(CCN2CCc3ccc(Cl)cc3C2)cs1 ZINC000154379543 1129087481 /nfs/dbraw/zinc/08/74/81/1129087481.db2.gz AFJMAXYGUPOROC-UHFFFAOYSA-N 0 1 292.835 3.706 20 0 CHADMN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CC[C@H](C)C1 ZINC000507162783 1122932763 /nfs/dbraw/zinc/93/27/63/1122932763.db2.gz DUJOXVNJZPKDPO-SOUVJXGZSA-N 0 1 288.435 3.869 20 0 CHADMN CC(C)c1ccc(-c2cc(C(=O)Nc3cnoc3)no2)cc1 ZINC001196742850 1122932818 /nfs/dbraw/zinc/93/28/18/1122932818.db2.gz SRPXPHONMFUCLJ-UHFFFAOYSA-N 0 1 297.314 3.705 20 0 CHADMN CC(C)c1ncc(C[N@@H+](C)CCCC(C)(C)C)cn1 ZINC000440489307 1122937979 /nfs/dbraw/zinc/93/79/79/1122937979.db2.gz SHIFQZWONOZVRV-UHFFFAOYSA-N 0 1 263.429 3.858 20 0 CHADMN Cc1[nH]nc2ncc(C[N@H+](C)[C@@H](C)c3ccc(C)cc3)cc12 ZINC000507190556 1122938074 /nfs/dbraw/zinc/93/80/74/1122938074.db2.gz DMENQCNQIFPZKF-AWEZNQCLSA-N 0 1 294.402 3.768 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccnn1C ZINC000507221626 1122940209 /nfs/dbraw/zinc/94/02/09/1122940209.db2.gz MICXPKCWLBCBIO-HNNXBMFYSA-N 0 1 277.799 3.657 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccnn1C ZINC000507221626 1122940213 /nfs/dbraw/zinc/94/02/13/1122940213.db2.gz MICXPKCWLBCBIO-HNNXBMFYSA-N 0 1 277.799 3.657 20 0 CHADMN Cc1cncc([C@@H]2CCCN2Cc2ccccc2F)c1 ZINC001197135345 1122944937 /nfs/dbraw/zinc/94/49/37/1122944937.db2.gz LAGVGLFNWHIVFO-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CCN(Cc1ccccc1Cl)[C@H](CO)c1ccccc1 ZINC001197256316 1122949471 /nfs/dbraw/zinc/94/94/71/1122949471.db2.gz PNOSXQLIQANNIU-QGZVFWFLSA-N 0 1 289.806 3.896 20 0 CHADMN CCn1c2ccccc2nc1-c1cc(O)c(F)c(F)c1 ZINC001251240185 1122954833 /nfs/dbraw/zinc/95/48/33/1122954833.db2.gz VZIGBUIUPHXOIB-UHFFFAOYSA-N 0 1 274.270 3.707 20 0 CHADMN c1nc(C2CCCC2)sc1-c1nc2cnccc2[nH]1 ZINC000154583403 1129089086 /nfs/dbraw/zinc/08/90/86/1129089086.db2.gz BVWQSDPYXLUYPG-UHFFFAOYSA-N 0 1 270.361 3.739 20 0 CHADMN CCc1ccc([C@@H](CO)N[C@H](C)c2ncccc2CC)cc1 ZINC000507485607 1122959481 /nfs/dbraw/zinc/95/94/81/1122959481.db2.gz MKQBMFDUQXHRKS-RDTXWAMCSA-N 0 1 298.430 3.591 20 0 CHADMN Clc1ccc2nc(Cl)c(CN3C[C@@H]4C[C@@H]4C3)cc2c1 ZINC001197691297 1122966356 /nfs/dbraw/zinc/96/63/56/1122966356.db2.gz DRCBXDXCAUTPIV-PHIMTYICSA-N 0 1 293.197 3.993 20 0 CHADMN Cc1ccc2nc(-c3ccc(N4CCCC4)nc3)[nH]c2c1 ZINC000154649033 1129089751 /nfs/dbraw/zinc/08/97/51/1129089751.db2.gz DSFZUQNFUYUHJK-UHFFFAOYSA-N 0 1 278.359 3.534 20 0 CHADMN c1nc(CNCc2ccc(C3CCCCC3)cc2)c[nH]1 ZINC000894852198 1122970081 /nfs/dbraw/zinc/97/00/81/1122970081.db2.gz RTWUHPNFBCNJTH-UHFFFAOYSA-N 0 1 269.392 3.747 20 0 CHADMN Cc1ccc(NC(=S)Nc2cc(O)c(F)c(F)c2)cc1 ZINC001197928145 1122973905 /nfs/dbraw/zinc/97/39/05/1122973905.db2.gz NAZGZNSBJPAUQN-UHFFFAOYSA-N 0 1 294.326 3.788 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@@H]3C)n[nH]2)c(C)c1 ZINC000427459487 1122978279 /nfs/dbraw/zinc/97/82/79/1122978279.db2.gz NDYJUGHIRYHDHR-JSGCOSHPSA-N 0 1 297.402 3.564 20 0 CHADMN Cc1cc(F)cc(-c2nc3ccc(F)cc3[nH]2)c1O ZINC001251702260 1122978664 /nfs/dbraw/zinc/97/86/64/1122978664.db2.gz ZZACRRXOOIUPRA-UHFFFAOYSA-N 0 1 260.243 3.522 20 0 CHADMN CC(C)c1cccc(CN2CCC[C@@H]2c2ccnn2C)c1 ZINC001198156622 1122982502 /nfs/dbraw/zinc/98/25/02/1122982502.db2.gz IHRJLBZLDYRXLS-GOSISDBHSA-N 0 1 283.419 3.881 20 0 CHADMN CC(C)(C)CN1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000507672373 1122983170 /nfs/dbraw/zinc/98/31/70/1122983170.db2.gz KIFQRJKAKBNXJU-CQSZACIVSA-N 0 1 267.800 3.759 20 0 CHADMN CCc1ccc(C2=CCN(Cc3ccnn3CC)CC2)cc1 ZINC000507719620 1122989330 /nfs/dbraw/zinc/98/93/30/1122989330.db2.gz BOJNODXZQWHLEP-UHFFFAOYSA-N 0 1 295.430 3.755 20 0 CHADMN Cc1cccc(CCCN2CCn3nc(C4CC4)cc3C2)c1 ZINC001198354626 1122989573 /nfs/dbraw/zinc/98/95/73/1122989573.db2.gz MVWZXQLSXZLZKW-UHFFFAOYSA-N 0 1 295.430 3.517 20 0 CHADMN Clc1ccc(SCCN2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000507723127 1122990039 /nfs/dbraw/zinc/99/00/39/1122990039.db2.gz FVZOGJOCLAOJHK-GJZGRUSLSA-N 0 1 297.851 3.685 20 0 CHADMN Fc1ccc2c(c1)[C@H](N1CCC[C@@H](F)C1)CCC2 ZINC001198479655 1122995057 /nfs/dbraw/zinc/99/50/57/1122995057.db2.gz SDTOWUBYZGTVPQ-UKRRQHHQSA-N 0 1 251.320 3.637 20 0 CHADMN COC1CCC(CN2Cc3ccc(Cl)cc3C2)CC1 ZINC000894865939 1122999521 /nfs/dbraw/zinc/99/95/21/1122999521.db2.gz QOYFNYXDWYUURY-UHFFFAOYSA-N 0 1 279.811 3.861 20 0 CHADMN Cc1ccc(F)cc1CSc1nc(C(C)(C)C)n[nH]1 ZINC000187983402 1123003088 /nfs/dbraw/zinc/00/30/88/1123003088.db2.gz DKRVTVZZKSQNQJ-UHFFFAOYSA-N 0 1 279.384 3.842 20 0 CHADMN Cc1ccc(F)cc1CSc1n[nH]c(C(C)(C)C)n1 ZINC000187983402 1123003092 /nfs/dbraw/zinc/00/30/92/1123003092.db2.gz DKRVTVZZKSQNQJ-UHFFFAOYSA-N 0 1 279.384 3.842 20 0 CHADMN C[C@@H]1CCC[C@H](Sc2nc(-c3ccccc3O)n[nH]2)C1 ZINC000519623363 1123010106 /nfs/dbraw/zinc/01/01/06/1123010106.db2.gz HKVPYDWMHQGVGQ-MNOVXSKESA-N 0 1 289.404 3.848 20 0 CHADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000519700895 1123016004 /nfs/dbraw/zinc/01/60/04/1123016004.db2.gz FDHVAYDGLRNCTH-WDEREUQCSA-N 0 1 281.783 3.659 20 0 CHADMN COc1ccc(CNCc2cc3cc(F)ccc3o2)cc1 ZINC001198968477 1123018018 /nfs/dbraw/zinc/01/80/18/1123018018.db2.gz JAUYPFRCYAFGBJ-UHFFFAOYSA-N 0 1 285.318 3.870 20 0 CHADMN CCN(Cc1c(C)nn(C)c1C)[C@@H](C)c1ccc(F)cc1 ZINC000154908590 1129093762 /nfs/dbraw/zinc/09/37/62/1129093762.db2.gz YYIFAJLEKZXZJK-ZDUSSCGKSA-N 0 1 289.398 3.759 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccccc1Cl ZINC000334448150 1123022257 /nfs/dbraw/zinc/02/22/57/1123022257.db2.gz IRDAUSDRVUHMOM-UHFFFAOYSA-N 0 1 285.681 3.561 20 0 CHADMN c1nc(CN2CCC[C@H]3CCCC[C@@H]32)oc1C1CC1 ZINC000334459116 1123022879 /nfs/dbraw/zinc/02/28/79/1123022879.db2.gz LCUNWMCSVDNBCZ-OCCSQVGLSA-N 0 1 260.381 3.707 20 0 CHADMN CC[C@@H](F)CN1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000440688906 1123027746 /nfs/dbraw/zinc/02/77/46/1123027746.db2.gz AIRRZMVWUSWCKK-ZIAGYGMSSA-N 0 1 281.371 3.589 20 0 CHADMN CC(C)n1ncc2cc(CN(C)[C@@H](C)c3ccco3)cnc21 ZINC000155011158 1129095694 /nfs/dbraw/zinc/09/56/94/1129095694.db2.gz HFYUWUOVGNBRQJ-ZDUSSCGKSA-N 0 1 298.390 3.798 20 0 CHADMN CC[C@H](F)CN1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000440699330 1123030284 /nfs/dbraw/zinc/03/02/84/1123030284.db2.gz SJQKYNMYUHGMCZ-HNNXBMFYSA-N 0 1 279.399 3.895 20 0 CHADMN CC[C@@H](F)CN(C)Cc1ccccc1C(F)(F)F ZINC000440706490 1123031283 /nfs/dbraw/zinc/03/12/83/1123031283.db2.gz UHXFSFPZLQZIPE-LLVKDONJSA-N 0 1 263.278 3.885 20 0 CHADMN CC(C)Oc1ccccc1CNCc1cnn(C(C)C)c1 ZINC001199619113 1123034320 /nfs/dbraw/zinc/03/43/20/1123034320.db2.gz KVOAXVPSKJBRPE-UHFFFAOYSA-N 0 1 287.407 3.541 20 0 CHADMN CO[C@@H](CNCc1c(F)cc(C)cc1F)c1ccccc1 ZINC001199657336 1123035264 /nfs/dbraw/zinc/03/52/64/1123035264.db2.gz IIGNFXFVGJDUIN-KRWDZBQOSA-N 0 1 291.341 3.751 20 0 CHADMN CCCc1noc(C[N@@H+](CCC(C)C)C2CCCC2)n1 ZINC000519904557 1123037327 /nfs/dbraw/zinc/03/73/27/1123037327.db2.gz QMOXKWWYZGHEKL-UHFFFAOYSA-N 0 1 279.428 3.813 20 0 CHADMN CCCc1noc(CN(CCC(C)C)C2CCCC2)n1 ZINC000519904557 1123037333 /nfs/dbraw/zinc/03/73/33/1123037333.db2.gz QMOXKWWYZGHEKL-UHFFFAOYSA-N 0 1 279.428 3.813 20 0 CHADMN CC[C@H](F)CN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000440784986 1123040496 /nfs/dbraw/zinc/04/04/96/1123040496.db2.gz VXOCVYQJDMRKDM-DZGCQCFKSA-N 0 1 281.346 3.611 20 0 CHADMN CCc1cccc(CNCc2cc(C)ccc2OC)c1 ZINC001199830748 1123042043 /nfs/dbraw/zinc/04/20/43/1123042043.db2.gz RVZLBYYMJHEGQY-UHFFFAOYSA-N 0 1 269.388 3.856 20 0 CHADMN Clc1cc2c(s1)CC[C@@H]2NCc1cncs1 ZINC000164656635 1123043621 /nfs/dbraw/zinc/04/36/21/1123043621.db2.gz HTPZCABYPSZTJU-VIFPVBQESA-N 0 1 270.810 3.635 20 0 CHADMN CCn1cc(CN(C)[C@H](C)c2cc(C)ccc2C)cn1 ZINC000155049970 1129095207 /nfs/dbraw/zinc/09/52/07/1129095207.db2.gz PVAHUFBICUKYGL-OAHLLOKOSA-N 0 1 271.408 3.713 20 0 CHADMN CC[C@H](F)CN[C@H](C)c1ccc(Br)cc1F ZINC000309450226 1123049759 /nfs/dbraw/zinc/04/97/59/1123049759.db2.gz KVSJDTIWCAQGKF-SCZZXKLOSA-N 0 1 292.167 3.987 20 0 CHADMN CN(Cc1cnc[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000776101554 1123058334 /nfs/dbraw/zinc/05/83/34/1123058334.db2.gz IZNNZHRPNNLJEJ-UHFFFAOYSA-N 0 1 279.343 3.838 20 0 CHADMN CCc1nocc1CN[C@H](C)c1cccc(C)c1C ZINC000647970106 1123059708 /nfs/dbraw/zinc/05/97/08/1123059708.db2.gz CFOHNWPENAQAFC-CYBMUJFWSA-N 0 1 258.365 3.705 20 0 CHADMN Cc1ccc(O)c(CNCc2cccc(Cl)c2Cl)n1 ZINC000520221577 1123064813 /nfs/dbraw/zinc/06/48/13/1123064813.db2.gz HNGXLPCBEYOJQD-UHFFFAOYSA-N 0 1 297.185 3.692 20 0 CHADMN CCCCCCNC(=S)Nc1cccc(Cl)c1O ZINC001200955333 1123068828 /nfs/dbraw/zinc/06/88/28/1123068828.db2.gz ZTCMJSMTWOBOGJ-UHFFFAOYSA-N 0 1 286.828 3.912 20 0 CHADMN Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](C)CC2)c(C)c1C ZINC000441266398 1123073007 /nfs/dbraw/zinc/07/30/07/1123073007.db2.gz HXRFXIUIQDYRTI-NSHDSACASA-N 0 1 294.464 3.734 20 0 CHADMN Cc1sc(NC(=O)CN2CCC[C@H](C)CC2)c(C)c1C ZINC000441266398 1123073009 /nfs/dbraw/zinc/07/30/09/1123073009.db2.gz HXRFXIUIQDYRTI-NSHDSACASA-N 0 1 294.464 3.734 20 0 CHADMN CC(C)c1nc(CSc2ccc3ccccc3n2)n[nH]1 ZINC000520388008 1123083616 /nfs/dbraw/zinc/08/36/16/1123083616.db2.gz IECWZKAIVHWVSV-UHFFFAOYSA-N 0 1 284.388 3.769 20 0 CHADMN Cc1cc(Br)c(N=C2CCSCC2)nc1C ZINC001201333006 1123088800 /nfs/dbraw/zinc/08/88/00/1123088800.db2.gz IFFKYPLNDZKWLX-UHFFFAOYSA-N 0 1 299.237 3.894 20 0 CHADMN COc1cc([C@H](C)NCc2cc(C)n[nH]2)cc2ccccc21 ZINC000925101613 1123088989 /nfs/dbraw/zinc/08/89/89/1123088989.db2.gz FEMWXPPXEKXCQV-ZDUSSCGKSA-N 0 1 295.386 3.731 20 0 CHADMN CCCOc1ncccc1CN[C@@H](C)c1ccc(F)cc1 ZINC000112536468 1123089177 /nfs/dbraw/zinc/08/91/77/1123089177.db2.gz CZDUJSMGSLWVIJ-ZDUSSCGKSA-N 0 1 288.366 3.860 20 0 CHADMN c1sc(N=C2CCSCC2)cc1-c1ccncn1 ZINC001201333191 1123089406 /nfs/dbraw/zinc/08/94/06/1123089406.db2.gz RMTYXMAJLJJRMB-UHFFFAOYSA-N 0 1 275.402 3.638 20 0 CHADMN C[C@@H]1CC(C)(C)CN1Cc1nc(C(C)(C)C)co1 ZINC000894925182 1123089612 /nfs/dbraw/zinc/08/96/12/1123089612.db2.gz IIHMUGFRPKGNHV-LLVKDONJSA-N 0 1 250.386 3.593 20 0 CHADMN O=C(Cc1[nH]nc2ccccc21)NCCCC1CCCCC1 ZINC000050576156 1123094175 /nfs/dbraw/zinc/09/41/75/1123094175.db2.gz FNCMQJDPFPQVRK-UHFFFAOYSA-N 0 1 299.418 3.582 20 0 CHADMN CC1(C)CCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000112702078 1123094644 /nfs/dbraw/zinc/09/46/44/1123094644.db2.gz FVVQTOJSZRCZIV-UHFFFAOYSA-N 0 1 270.376 3.964 20 0 CHADMN Cc1noc2ncc(CN3CC(C4CCCCC4)C3)cc12 ZINC000894974107 1123095780 /nfs/dbraw/zinc/09/57/80/1123095780.db2.gz AVPGTNNRRONEMT-UHFFFAOYSA-N 0 1 285.391 3.543 20 0 CHADMN Fc1ccc([C@@H]2COCCN2C[C@H]2CC=CCC2)cc1 ZINC001201427366 1123099615 /nfs/dbraw/zinc/09/96/15/1123099615.db2.gz LQRUBCSOYNSRTB-YOEHRIQHSA-N 0 1 275.367 3.555 20 0 CHADMN C[C@H](COc1ccccc1)NCc1cc(F)c(F)cc1F ZINC000776174612 1123101465 /nfs/dbraw/zinc/10/14/65/1123101465.db2.gz PYYHHKWTYDTFHF-LLVKDONJSA-N 0 1 295.304 3.661 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cccc(F)n1)CCC2 ZINC000776171453 1123101555 /nfs/dbraw/zinc/10/15/55/1123101555.db2.gz SPFKBISZHWWLCJ-HNNXBMFYSA-N 0 1 274.314 3.527 20 0 CHADMN CC(C)(C)C[N@@H+](Cc1cccnc1)Cc1ccccn1 ZINC001201440460 1123104633 /nfs/dbraw/zinc/10/46/33/1123104633.db2.gz NEWHODMGXGVZHS-UHFFFAOYSA-N 0 1 269.392 3.525 20 0 CHADMN CC(C)(C)CN(Cc1cccnc1)Cc1ccccn1 ZINC001201440460 1123104634 /nfs/dbraw/zinc/10/46/34/1123104634.db2.gz NEWHODMGXGVZHS-UHFFFAOYSA-N 0 1 269.392 3.525 20 0 CHADMN CC(C)Nc1ccc(Nc2ccc3nccn3c2)cc1 ZINC001201486900 1123107657 /nfs/dbraw/zinc/10/76/57/1123107657.db2.gz BFWRCGXOKCEOOK-UHFFFAOYSA-N 0 1 266.348 3.898 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc(NC(C)C)cc3)c2c1 ZINC001201489049 1123108645 /nfs/dbraw/zinc/10/86/45/1123108645.db2.gz YJUOBWDSLOFTKL-UHFFFAOYSA-N 0 1 280.375 3.736 20 0 CHADMN CC(C)=CCC[C@H](C)CN1CCN(CC(F)(F)F)CC1 ZINC001201492316 1123109229 /nfs/dbraw/zinc/10/92/29/1123109229.db2.gz YZJRBRMMNYZRIK-AWEZNQCLSA-N 0 1 292.389 3.549 20 0 CHADMN CC[C@@H](C)CN(Cc1cccnc1)Cc1ccccn1 ZINC001201511624 1123113954 /nfs/dbraw/zinc/11/39/54/1123113954.db2.gz QWNGHHQDQXBVPT-OAHLLOKOSA-N 0 1 269.392 3.525 20 0 CHADMN COc1cc([C@H](C)N[C@@H](C)c2ccccc2)c(F)cn1 ZINC000286967384 1123122598 /nfs/dbraw/zinc/12/25/98/1123122598.db2.gz NPJRTXJPWFNXEK-RYUDHWBXSA-N 0 1 274.339 3.641 20 0 CHADMN Cc1cc(C)c(Cl)c(-n2[nH]c(=O)c3ccc(N)cc32)c1 ZINC001201597382 1123123216 /nfs/dbraw/zinc/12/32/16/1123123216.db2.gz GGJDWTONMVAGDI-UHFFFAOYSA-N 0 1 287.750 3.584 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1ccc2[nH]ccc2c1 ZINC000229661061 1123124223 /nfs/dbraw/zinc/12/42/23/1123124223.db2.gz LUQOWUVOTSYHLY-JTQLQIEISA-N 0 1 269.348 3.624 20 0 CHADMN CCCC[C@H](CC)CN1CCC(F)(F)[C@@H](F)C1 ZINC001201562818 1123124228 /nfs/dbraw/zinc/12/42/28/1123124228.db2.gz GWVIJUGZIPQXRL-RYUDHWBXSA-N 0 1 251.336 3.882 20 0 CHADMN CC(C)Oc1ncccc1CN[C@H](C)c1ccsc1 ZINC000050344539 1123130468 /nfs/dbraw/zinc/13/04/68/1123130468.db2.gz VUOQAAQNZNRLMF-GFCCVEGCSA-N 0 1 276.405 3.781 20 0 CHADMN CS[C@@H](C)CNCc1nc(-c2cccs2)oc1C ZINC001201608960 1123130731 /nfs/dbraw/zinc/13/07/31/1123130731.db2.gz SSBMQLSTABJSDY-VIFPVBQESA-N 0 1 282.434 3.553 20 0 CHADMN CC(C)N(CCc1ccccc1)CC(=O)c1ccccc1 ZINC001201604458 1123131209 /nfs/dbraw/zinc/13/12/09/1123131209.db2.gz XNPDFWFGZYOVBE-UHFFFAOYSA-N 0 1 281.399 3.822 20 0 CHADMN CCCCN1CCc2c(cccc2C(F)(F)F)C1 ZINC001201717626 1123140239 /nfs/dbraw/zinc/14/02/39/1123140239.db2.gz WTPRQLLTOORCEJ-UHFFFAOYSA-N 0 1 257.299 3.864 20 0 CHADMN CC[C@H](C)Nc1nccc2c1CCN(Cc1ccccc1)C2 ZINC001167998942 1123141223 /nfs/dbraw/zinc/14/12/23/1123141223.db2.gz MAUDZKUXCMKIBS-HNNXBMFYSA-N 0 1 295.430 3.850 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1cccc(F)c1N ZINC000639065444 1123151653 /nfs/dbraw/zinc/15/16/53/1123151653.db2.gz HIDRJNFNOFLDQX-KOLCDFICSA-N 0 1 290.304 3.571 20 0 CHADMN Nc1nc2ccccc2n1-c1csc2ccccc12 ZINC001201845520 1123156068 /nfs/dbraw/zinc/15/60/68/1123156068.db2.gz OPDIXSHGPAVTPF-UHFFFAOYSA-N 0 1 265.341 3.822 20 0 CHADMN CCC1(CC)CCCN([C@H](C)c2nc(COC)no2)CC1 ZINC000190413338 1123156561 /nfs/dbraw/zinc/15/65/61/1123156561.db2.gz DXTSVQBPFXHKRF-CYBMUJFWSA-N 0 1 295.427 3.569 20 0 CHADMN Cc1ccoc1CN[C@H](c1ccc(F)cc1)C1CC1 ZINC000266190208 1123156823 /nfs/dbraw/zinc/15/68/23/1123156823.db2.gz IKJJAPSXJQYDAQ-INIZCTEOSA-N 0 1 259.324 3.968 20 0 CHADMN c1nc2cc(-c3noc([C@@H]4CC[C@@H]5C[C@@H]5C4)n3)ccc2[nH]1 ZINC000351314727 1123157234 /nfs/dbraw/zinc/15/72/34/1123157234.db2.gz BACVUKLQBVVFNI-YUSALJHKSA-N 0 1 280.331 3.517 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1CCC(=O)[C@@H](C)C1 ZINC001201974801 1123158308 /nfs/dbraw/zinc/15/83/08/1123158308.db2.gz FNROBQFTXZCLMU-CABCVRRESA-N 0 1 251.414 3.670 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN1CCC(=O)[C@@H](C)C1 ZINC001201974801 1123158310 /nfs/dbraw/zinc/15/83/10/1123158310.db2.gz FNROBQFTXZCLMU-CABCVRRESA-N 0 1 251.414 3.670 20 0 CHADMN CCc1ccc2c(c1)[C@@H](NCc1scnc1C)CCO2 ZINC001201920204 1123158455 /nfs/dbraw/zinc/15/84/55/1123158455.db2.gz OAUVUYNYYBBKAM-AWEZNQCLSA-N 0 1 288.416 3.627 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1CCC(=O)[C@H](C)C1 ZINC001201974805 1123158534 /nfs/dbraw/zinc/15/85/34/1123158534.db2.gz FNROBQFTXZCLMU-HUUCEWRRSA-N 0 1 251.414 3.670 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN1CCC(=O)[C@H](C)C1 ZINC001201974805 1123158537 /nfs/dbraw/zinc/15/85/37/1123158537.db2.gz FNROBQFTXZCLMU-HUUCEWRRSA-N 0 1 251.414 3.670 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CC2(C1)CCCO2 ZINC001201977238 1123159522 /nfs/dbraw/zinc/15/95/22/1123159522.db2.gz RBVUGJSCGMAZKY-HNNXBMFYSA-N 0 1 251.414 3.624 20 0 CHADMN CCCOc1ccc(CNCc2occc2C)c(C)c1 ZINC000473991742 1123161179 /nfs/dbraw/zinc/16/11/79/1123161179.db2.gz NSRPYVFHKZPFMG-UHFFFAOYSA-N 0 1 273.376 3.975 20 0 CHADMN CC(C)c1cccc(NC(=O)c2c(O)cccc2F)c1 ZINC000232789073 1123161309 /nfs/dbraw/zinc/16/13/09/1123161309.db2.gz DWTMGSOYRCTXRK-UHFFFAOYSA-N 0 1 273.307 3.907 20 0 CHADMN CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1CC1CC1 ZINC001201951729 1123162557 /nfs/dbraw/zinc/16/25/57/1123162557.db2.gz YJOMAEWVCJDXHR-IRXDYDNUSA-N 0 1 287.403 3.555 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccc3c(c1)CCC3)CCO2 ZINC001202009164 1123165853 /nfs/dbraw/zinc/16/58/53/1123165853.db2.gz FXNJSSVXPKBLBZ-GOSISDBHSA-N 0 1 297.373 3.928 20 0 CHADMN C[C@H]1CCN(Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000571668942 1123166304 /nfs/dbraw/zinc/16/63/04/1123166304.db2.gz ZQJODMDDGDGVML-QMMMGPOBSA-N 0 1 279.252 3.825 20 0 CHADMN CCN(C(=O)C[N@@H+](C)[C@@H]1CCC[C@H](C)C1)c1ccccc1 ZINC000520528346 1123168523 /nfs/dbraw/zinc/16/85/23/1123168523.db2.gz CNNKJKTWZLKROX-DOTOQJQBSA-N 0 1 288.435 3.550 20 0 CHADMN Cc1cccc(-c2noc(CN[C@@H]3CCCC3(C)C)n2)c1 ZINC000191301931 1123170595 /nfs/dbraw/zinc/17/05/95/1123170595.db2.gz DAEHLSIJZOFAHQ-CQSZACIVSA-N 0 1 285.391 3.713 20 0 CHADMN CC(C)(CF)NCc1cc(Cl)cc(Br)c1 ZINC001202066043 1123171184 /nfs/dbraw/zinc/17/11/84/1123171184.db2.gz IGIBBQZLOMAVTG-UHFFFAOYSA-N 0 1 294.595 3.940 20 0 CHADMN Cc1sc(CNC(C)(C)CF)cc1Br ZINC001202066435 1123172046 /nfs/dbraw/zinc/17/20/46/1123172046.db2.gz YKTFNCGEJXXESY-UHFFFAOYSA-N 0 1 280.206 3.657 20 0 CHADMN C[C@H]1SCC[C@@H]1Nc1ccnc2cc(F)ccc21 ZINC000645401768 1123176828 /nfs/dbraw/zinc/17/68/28/1123176828.db2.gz KXBPFDIVXCEFIV-SKDRFNHKSA-N 0 1 262.353 3.680 20 0 CHADMN COc1cc(CN2CCS[C@H](C)[C@H]2C)ccc1SC ZINC000118415950 1123183088 /nfs/dbraw/zinc/18/30/88/1123183088.db2.gz SCAGMBIOADZPRW-VXGBXAGGSA-N 0 1 297.489 3.743 20 0 CHADMN COCCN(Cc1ccc(C)o1)Cc1ccc(C)cc1 ZINC000215657367 1123185020 /nfs/dbraw/zinc/18/50/20/1123185020.db2.gz DSUIBWKLBWMTCF-UHFFFAOYSA-N 0 1 273.376 3.545 20 0 CHADMN Cc1cccc(C)c1NC(=O)Nc1ncc(Cl)cc1O ZINC001202195850 1123185546 /nfs/dbraw/zinc/18/55/46/1123185546.db2.gz BUKIRGSIIJMIDT-UHFFFAOYSA-N 0 1 291.738 3.701 20 0 CHADMN CCCc1ccc(NS(=O)(=O)c2cc(C)oc2C)cc1 ZINC000776270761 1123195726 /nfs/dbraw/zinc/19/57/26/1123195726.db2.gz GISGTJLCAVMBRH-UHFFFAOYSA-N 0 1 293.388 3.650 20 0 CHADMN C[C@@H]1OCC[C@]1(C)NCc1csc(Cl)c1Cl ZINC000336780577 1123197075 /nfs/dbraw/zinc/19/70/75/1123197075.db2.gz RRVIDDFNPHGCRY-CPCISQLKSA-N 0 1 280.220 3.712 20 0 CHADMN CCC(C)(C)[C@@H]1CCCN1CC(=O)Nc1ccccc1F ZINC000441663326 1123197080 /nfs/dbraw/zinc/19/70/80/1123197080.db2.gz OIPXZLDZFVMEGA-HNNXBMFYSA-N 0 1 292.398 3.665 20 0 CHADMN CC[C@@H]1C[C@H](CN(CC)Cc2c(F)cccc2F)CCO1 ZINC000507800112 1123208827 /nfs/dbraw/zinc/20/88/27/1123208827.db2.gz YINVSAQFWDJBDT-ZIAGYGMSSA-N 0 1 297.389 3.992 20 0 CHADMN CC[C@H]1C[C@@H](CN(CC)Cc2c(F)cccc2F)CCO1 ZINC000507800109 1123208863 /nfs/dbraw/zinc/20/88/63/1123208863.db2.gz YINVSAQFWDJBDT-KBPBESRZSA-N 0 1 297.389 3.992 20 0 CHADMN Fc1cccc(Cl)c1CNc1ccc2c(n1)CCC2 ZINC001202445070 1123209129 /nfs/dbraw/zinc/20/91/29/1123209129.db2.gz OJGRJHIPERAQBF-UHFFFAOYSA-N 0 1 276.742 3.975 20 0 CHADMN c1c2ccccc2[nH]c1CNc1ccc2c(n1)CCC2 ZINC001202445072 1123209264 /nfs/dbraw/zinc/20/92/64/1123209264.db2.gz OPSHDMINNDZZTK-UHFFFAOYSA-N 0 1 263.344 3.664 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H](C)C2CCCC2)no1 ZINC000184630504 1123209401 /nfs/dbraw/zinc/20/94/01/1123209401.db2.gz JKNDEOYVXYXNGW-CYBMUJFWSA-N 0 1 285.391 3.713 20 0 CHADMN CCC[C@@H]1CCCCN1CC(=O)Nc1c(C)cccc1C ZINC000542630378 1129106245 /nfs/dbraw/zinc/10/62/45/1129106245.db2.gz CFPWUTSPNHGURN-MRXNPFEDSA-N 0 1 288.435 3.897 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)N(C)Cc1cnc[nH]1 ZINC000665162254 1123212567 /nfs/dbraw/zinc/21/25/67/1123212567.db2.gz AGUWKTUDJLWSPV-UHFFFAOYSA-N 0 1 286.379 3.505 20 0 CHADMN COc1ccnc(CN2CCC(Cc3ccccc3)CC2)c1 ZINC000520747547 1123223764 /nfs/dbraw/zinc/22/37/64/1123223764.db2.gz DRHBWOHDTURJQV-UHFFFAOYSA-N 0 1 296.414 3.545 20 0 CHADMN COCCc1ccc(-c2ccc(F)c(CN(C)C)c2)cc1 ZINC000665199633 1123227491 /nfs/dbraw/zinc/22/74/91/1123227491.db2.gz QJVBCWVRGUDJCW-UHFFFAOYSA-N 0 1 287.378 3.743 20 0 CHADMN Cc1csc(CNCc2cnc(-c3ccccc3)nc2)c1 ZINC001202474824 1123228247 /nfs/dbraw/zinc/22/82/47/1123228247.db2.gz KYOMYIARNBHPIB-UHFFFAOYSA-N 0 1 295.411 3.803 20 0 CHADMN COc1ccc(Cl)cc1[C@H](C)NCc1cccc(N)c1 ZINC000665233434 1123235890 /nfs/dbraw/zinc/23/58/90/1123235890.db2.gz HWLFXPRXWKSJSN-NSHDSACASA-N 0 1 290.794 3.782 20 0 CHADMN Cc1ncc([C@H](C)N[C@H]2CCCc3c(F)cccc32)c(C)n1 ZINC000334521405 1123241323 /nfs/dbraw/zinc/24/13/23/1123241323.db2.gz CXWFLADSPPAAOJ-SGTLLEGYSA-N 0 1 299.393 3.961 20 0 CHADMN Cc1nc(C2(NC[C@H]3CCC[C@@H](C)C3)CCCCC2)no1 ZINC000507893209 1123245563 /nfs/dbraw/zinc/24/55/63/1123245563.db2.gz XEGHPPGFMQSAFD-HIFRSBDPSA-N 0 1 291.439 3.953 20 0 CHADMN CC(C)(C)OC(=O)CN1CCCCC[C@@H]1c1ccccc1 ZINC000520787605 1123251186 /nfs/dbraw/zinc/25/11/86/1123251186.db2.gz SRTYOSMDNQLGIJ-MRXNPFEDSA-N 0 1 289.419 3.945 20 0 CHADMN Cc1ccc([C@H]2CCCCN2Cc2cnccn2)cc1 ZINC000334558164 1123252893 /nfs/dbraw/zinc/25/28/93/1123252893.db2.gz HMQCJUKLXOHOOE-QGZVFWFLSA-N 0 1 267.376 3.512 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H](C)c2cccc(OC(C)C)c2)cn1 ZINC000427824429 1123253082 /nfs/dbraw/zinc/25/30/82/1123253082.db2.gz IWIYQMOHDIEKFY-GJZGRUSLSA-N 0 1 299.418 3.984 20 0 CHADMN CSc1ccc([C@H](C)N[C@@H](C)c2cnc(C)cn2)cc1 ZINC000427855904 1123254520 /nfs/dbraw/zinc/25/45/20/1123254520.db2.gz UNZMNRUHZZQNDB-STQMWFEESA-N 0 1 287.432 3.919 20 0 CHADMN Cc1ccc(-c2nc(CN[C@H]3C=CCC3)cs2)cc1 ZINC000850358299 1123255543 /nfs/dbraw/zinc/25/55/43/1123255543.db2.gz AVORXLQJGQMIFI-AWEZNQCLSA-N 0 1 270.401 3.927 20 0 CHADMN CC[C@@H](CC1CCCC1)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000508015031 1123256239 /nfs/dbraw/zinc/25/62/39/1123256239.db2.gz IPFCVXNBDSHFRL-LBPRGKRZSA-N 0 1 286.379 3.503 20 0 CHADMN CC(C)[C@H](NCc1ccc(F)nc1)c1ccccc1F ZINC000850361776 1123256877 /nfs/dbraw/zinc/25/68/77/1123256877.db2.gz DPJGHRMQISIHFI-INIZCTEOSA-N 0 1 276.330 3.847 20 0 CHADMN O[C@H]1C[C@H](NCc2ccc(Cl)cc2)c2ccccc21 ZINC000850371174 1123258368 /nfs/dbraw/zinc/25/83/68/1123258368.db2.gz VIZAPEPPQKQGNE-HOTGVXAUSA-N 0 1 273.763 3.608 20 0 CHADMN c1cc2c(ccnc2NCCN2Cc3ccccc3C2)s1 ZINC000620932423 1129109409 /nfs/dbraw/zinc/10/94/09/1129109409.db2.gz PMMZGCJDPJYNOU-UHFFFAOYSA-N 0 1 295.411 3.724 20 0 CHADMN CC(C)CCn1cccc1CN[C@@H]1C[C@@H](O)c2ccccc21 ZINC000850372746 1123259442 /nfs/dbraw/zinc/25/94/42/1123259442.db2.gz YICOSDCWISKWIB-RTBURBONSA-N 0 1 298.430 3.802 20 0 CHADMN Cc1ccc(CN[C@H]2C[C@H](O)c3ccccc32)cc1Cl ZINC000850373941 1123259552 /nfs/dbraw/zinc/25/95/52/1123259552.db2.gz JYVKGDRNUHEUIO-IRXDYDNUSA-N 0 1 287.790 3.916 20 0 CHADMN COc1cccc(CNCc2cnc(C(C)C)s2)c1C ZINC000850416510 1123264646 /nfs/dbraw/zinc/26/46/46/1123264646.db2.gz KQOAPKJIZRYYDA-UHFFFAOYSA-N 0 1 290.432 3.873 20 0 CHADMN C[C@H](N[C@@H](C)c1ccncc1)c1cc2cnccc2o1 ZINC000850419929 1123264768 /nfs/dbraw/zinc/26/47/68/1123264768.db2.gz GPZLZIPXHGUKGN-RYUDHWBXSA-N 0 1 267.332 3.635 20 0 CHADMN C[C@H](CSCCF)N[C@H](C)c1c(F)cccc1F ZINC000850426547 1123265395 /nfs/dbraw/zinc/26/53/95/1123265395.db2.gz WHRVLOSHKMTKBZ-NXEZZACHSA-N 0 1 277.355 3.707 20 0 CHADMN CN(C)Cc1cc(N[C@@H]2COC3(CCC3)C2)ccc1Cl ZINC000850466111 1123271677 /nfs/dbraw/zinc/27/16/77/1123271677.db2.gz IPRJQLKIEDLHBM-AWEZNQCLSA-N 0 1 294.826 3.525 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](C)c2cc3cnccc3o2)ccn1 ZINC000850469412 1123271755 /nfs/dbraw/zinc/27/17/55/1123271755.db2.gz RKLJBZLYWWSMIP-NEPJUHHUSA-N 0 1 297.358 3.643 20 0 CHADMN Cc1cc([C@H](C)NC[C@@H](O)c2cccc3ccccc32)no1 ZINC000850517084 1123279091 /nfs/dbraw/zinc/27/90/91/1123279091.db2.gz QBOACMKZMOZIDK-SCLBCKFNSA-N 0 1 296.370 3.520 20 0 CHADMN C[C@@H](NCCOC(F)F)c1nc(-c2ccccc2)cs1 ZINC000850521317 1123280188 /nfs/dbraw/zinc/28/01/88/1123280188.db2.gz GMCLHNKONBRLAQ-SNVBAGLBSA-N 0 1 298.358 3.700 20 0 CHADMN C[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1cc2cnccc2o1 ZINC000850525571 1123281300 /nfs/dbraw/zinc/28/13/00/1123281300.db2.gz KLVQGAIJMHKJJX-UVBJJODRSA-N 0 1 294.354 3.657 20 0 CHADMN COc1ccsc1[C@H](C)N[C@H]1C[C@H](O)c2ccccc21 ZINC000850527372 1123281705 /nfs/dbraw/zinc/28/17/05/1123281705.db2.gz GIHHSZNVGJIFKU-BPNCWPANSA-N 0 1 289.400 3.586 20 0 CHADMN CCCc1nc(C)c(CN2CCS[C@H](C(C)C)C2)o1 ZINC000428209195 1123282368 /nfs/dbraw/zinc/28/23/68/1123282368.db2.gz FOQNXGUJDUIATC-AWEZNQCLSA-N 0 1 282.453 3.509 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2C[C@H](O)c3ccccc32)c(C)n1 ZINC000850530250 1123285102 /nfs/dbraw/zinc/28/51/02/1123285102.db2.gz XVJGWYFZHXCURJ-KKXDTOCCSA-N 0 1 282.387 3.527 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1c(C2CC2)cnn1C ZINC000850534105 1123286289 /nfs/dbraw/zinc/28/62/89/1123286289.db2.gz GMXCOLDBRRPYPY-LBPRGKRZSA-N 0 1 287.382 3.596 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1c(C2CC2)cnn1C ZINC000850534104 1123286328 /nfs/dbraw/zinc/28/63/28/1123286328.db2.gz GMXCOLDBRRPYPY-GFCCVEGCSA-N 0 1 287.382 3.596 20 0 CHADMN C[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)C[C@@H]1C ZINC000520824103 1123286776 /nfs/dbraw/zinc/28/67/76/1123286776.db2.gz RQJHVOSJCOCQSC-BFVZDQMLSA-N 0 1 299.773 3.583 20 0 CHADMN CCc1nc(C)c(CN2CCCC[C@@H]2c2cccn2C)o1 ZINC000428237040 1123287520 /nfs/dbraw/zinc/28/75/20/1123287520.db2.gz HTYOKVPVLKXBDD-OAHLLOKOSA-N 0 1 287.407 3.611 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1cccc(OC)c1C ZINC000850577179 1123295948 /nfs/dbraw/zinc/29/59/48/1123295948.db2.gz BZJWSZMKWMUYOO-LBPRGKRZSA-N 0 1 288.391 3.713 20 0 CHADMN C[C@@H](N[C@H]1CCc2cc(N)ccc21)c1ccc(Cl)cn1 ZINC000665271111 1123296999 /nfs/dbraw/zinc/29/69/99/1123296999.db2.gz HDTPVRHNECVBSY-HWPZZCPQSA-N 0 1 287.794 3.655 20 0 CHADMN CO[C@@H]1C[C@H](NCc2c(F)cccc2Cl)C12CCC2 ZINC000713470940 1123314503 /nfs/dbraw/zinc/31/45/03/1123314503.db2.gz MBBOAQJZCPPPOJ-UONOGXRCSA-N 0 1 283.774 3.526 20 0 CHADMN Cc1cccc(CN(C)CCOc2ccccc2Cl)n1 ZINC000346418639 1123315989 /nfs/dbraw/zinc/31/59/89/1123315989.db2.gz LQEFOFQUSUBOOE-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN c1cn(Cc2ccccc2)c(CN2CC[C@H](C3CCC3)C2)n1 ZINC000665286542 1123320975 /nfs/dbraw/zinc/32/09/75/1123320975.db2.gz OCULJVFXEPZIOW-SFHVURJKSA-N 0 1 295.430 3.553 20 0 CHADMN C[C@@H](N[C@H]1C[C@@H](C)c2ccccc21)c1ccccn1 ZINC000271485363 1129113956 /nfs/dbraw/zinc/11/39/56/1129113956.db2.gz OCGLMXJZGIEEIO-XNJGSVPQSA-N 0 1 252.361 3.981 20 0 CHADMN Clc1ccc(CN2CC3(CCC3)[C@H]2C2CCOCC2)o1 ZINC000335236735 1123327355 /nfs/dbraw/zinc/32/73/55/1123327355.db2.gz YKQRYWQPJJVPLC-OAHLLOKOSA-N 0 1 295.810 3.714 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C1(CC(C)C)CC1 ZINC000442798078 1123339711 /nfs/dbraw/zinc/33/97/11/1123339711.db2.gz JDZRNZQACZOVOR-UHFFFAOYSA-N 0 1 271.364 3.636 20 0 CHADMN C[C@@H](N[C@H]1CCCc2ccccc21)c1ccncc1F ZINC000335316191 1123354702 /nfs/dbraw/zinc/35/47/02/1123354702.db2.gz SOUGRYHSGLLYJV-PXAZEXFGSA-N 0 1 270.351 3.949 20 0 CHADMN CC1(C)[C@H](c2nc(C3(N)CCCC3)no2)[C@H]1c1ccccc1 ZINC000634555440 1129116983 /nfs/dbraw/zinc/11/69/83/1129116983.db2.gz KNDYUFGBSDVLHF-KGLIPLIRSA-N 0 1 297.402 3.705 20 0 CHADMN Cc1ccc(F)cc1-c1noc(C[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000443217339 1123365636 /nfs/dbraw/zinc/36/56/36/1123365636.db2.gz PLVFRAQAQXCRHL-TXEJJXNPSA-N 0 1 289.354 3.557 20 0 CHADMN Cc1ccc(F)cc1-c1noc(CN2[C@H](C)CC[C@@H]2C)n1 ZINC000443217339 1123365638 /nfs/dbraw/zinc/36/56/38/1123365638.db2.gz PLVFRAQAQXCRHL-TXEJJXNPSA-N 0 1 289.354 3.557 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN(CCOC(F)F)C2CC2)o1 ZINC000851711996 1123373397 /nfs/dbraw/zinc/37/33/97/1123373397.db2.gz ICIZRXOHTPERBJ-GWCFXTLKSA-N 0 1 285.334 3.607 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2CCCc3cc(N)ccc32)cs1 ZINC000335480950 1123377336 /nfs/dbraw/zinc/37/73/36/1123377336.db2.gz OIHMTAMZHULLIE-ZUZCIYMTSA-N 0 1 287.432 3.762 20 0 CHADMN FC(F)OCC[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000851824565 1123382946 /nfs/dbraw/zinc/38/29/46/1123382946.db2.gz WGVVOAYZKZIWOB-CYBMUJFWSA-N 0 1 294.345 3.587 20 0 CHADMN COC(CCN1CCCC[C@@H]1c1ccc(F)cc1F)OC ZINC000851856607 1123384381 /nfs/dbraw/zinc/38/43/81/1123384381.db2.gz WKJYCESGDBTGNY-OAHLLOKOSA-N 0 1 299.361 3.501 20 0 CHADMN Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CCOC(F)F ZINC000851867267 1123385286 /nfs/dbraw/zinc/38/52/86/1123385286.db2.gz CBIGTHKSPAIGQF-JTQLQIEISA-N 0 1 292.395 3.807 20 0 CHADMN Cc1nc(C(C)C)sc1[C@H](C)N(C)CCOC(F)F ZINC000851867267 1123385291 /nfs/dbraw/zinc/38/52/91/1123385291.db2.gz CBIGTHKSPAIGQF-JTQLQIEISA-N 0 1 292.395 3.807 20 0 CHADMN CC[C@H](CC(F)F)C[N@H+]1CCc2c(F)cccc2C1 ZINC000851869500 1123385876 /nfs/dbraw/zinc/38/58/76/1123385876.db2.gz JOKXPGKOBHNDFX-LLVKDONJSA-N 0 1 271.326 3.865 20 0 CHADMN ClC(Cl)=CCN1CCC(Cc2cccnc2)CC1 ZINC000851890176 1123386518 /nfs/dbraw/zinc/38/65/18/1123386518.db2.gz UTASBLHSOCCHCX-UHFFFAOYSA-N 0 1 285.218 3.655 20 0 CHADMN CCc1cnccc1[C@H](C)NCC=C(Cl)Cl ZINC000851921667 1123389143 /nfs/dbraw/zinc/38/91/43/1123389143.db2.gz YMROBLFABGWQSX-VIFPVBQESA-N 0 1 259.180 3.614 20 0 CHADMN Cc1cc(CN(C)[C@@H](c2ccccc2)C(C)C)nn1C ZINC000487427092 1123392001 /nfs/dbraw/zinc/39/20/01/1123392001.db2.gz JASIQDCYHTXWSP-QGZVFWFLSA-N 0 1 271.408 3.558 20 0 CHADMN CCCn1cc(CN(CC)Cc2c[nH]c3ccccc23)cn1 ZINC000191190597 1123393414 /nfs/dbraw/zinc/39/34/14/1123393414.db2.gz QSOKLKHRDUZPID-UHFFFAOYSA-N 0 1 296.418 3.797 20 0 CHADMN Cc1nc(CN(C)C[C@H]2C(C)=CCC[C@@H]2C)cs1 ZINC000443406429 1123394613 /nfs/dbraw/zinc/39/46/13/1123394613.db2.gz MDYFFAYNRVXKDA-WFASDCNBSA-N 0 1 264.438 3.876 20 0 CHADMN COc1cc(CN2C[C@@H](C)C[C@H]2c2ccccc2)sn1 ZINC000852046132 1123394686 /nfs/dbraw/zinc/39/46/86/1123394686.db2.gz QPXUFXGGLKXFAY-WFASDCNBSA-N 0 1 288.416 3.735 20 0 CHADMN Clc1ncccc1CN1CCC[C@H](c2ccccn2)C1 ZINC000852084903 1123396175 /nfs/dbraw/zinc/39/61/75/1123396175.db2.gz ZPGKWONAVSJNSN-ZDUSSCGKSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1ccncc1CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000335681824 1123397777 /nfs/dbraw/zinc/39/77/77/1123397777.db2.gz NQULQVAAVSEOOF-KRWDZBQOSA-N 0 1 294.398 3.926 20 0 CHADMN CC1(C)CCCC[C@H]1C[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000852205325 1123399523 /nfs/dbraw/zinc/39/95/23/1123399523.db2.gz XYLZRMQETYPPQE-ZDUSSCGKSA-N 0 1 293.842 3.705 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(C(C)(C)C)s1 ZINC000166278515 1123399563 /nfs/dbraw/zinc/39/95/63/1123399563.db2.gz USBUDBMHYMYVGX-LLVKDONJSA-N 0 1 283.437 3.731 20 0 CHADMN CC1(C)CCCC[C@H]1CN1CCc2cc(Cl)nnc2C1 ZINC000852205325 1123399525 /nfs/dbraw/zinc/39/95/25/1123399525.db2.gz XYLZRMQETYPPQE-ZDUSSCGKSA-N 0 1 293.842 3.705 20 0 CHADMN CCn1nc(C)c(CN2CCC[C@@H]2c2c(C)cccc2C)n1 ZINC000852312729 1123402423 /nfs/dbraw/zinc/40/24/23/1123402423.db2.gz RKSIIJRLSNELMO-QGZVFWFLSA-N 0 1 298.434 3.560 20 0 CHADMN Cc1cc(F)cc(CN2CC(c3ccccc3)C2)c1 ZINC001143590125 1123404919 /nfs/dbraw/zinc/40/49/19/1123404919.db2.gz OXYQECCJEFSBMN-UHFFFAOYSA-N 0 1 255.336 3.734 20 0 CHADMN CC(C)C(=O)CCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000852426691 1123405743 /nfs/dbraw/zinc/40/57/43/1123405743.db2.gz OGIXDHTUZLDZJY-MRXNPFEDSA-N 0 1 275.392 3.812 20 0 CHADMN COCCN(CCF)C1c2ccccc2-c2ccccc21 ZINC000852482797 1123406228 /nfs/dbraw/zinc/40/62/28/1123406228.db2.gz OQNTTXLFWGPGIZ-UHFFFAOYSA-N 0 1 285.362 3.674 20 0 CHADMN CC(C)(C)c1nnc(CN2CC[C@@H](C3CCCCC3)C2)o1 ZINC000852491209 1123406702 /nfs/dbraw/zinc/40/67/02/1123406702.db2.gz YIFXXBPFEKXWFF-CQSZACIVSA-N 0 1 291.439 3.769 20 0 CHADMN CC[C@@H](NCc1cn(CC)nc1C)c1ccccc1F ZINC000895201205 1123406735 /nfs/dbraw/zinc/40/67/35/1123406735.db2.gz YQIVPMNFRKQCSF-MRXNPFEDSA-N 0 1 275.371 3.591 20 0 CHADMN C[C@H](c1ccccc1)N1N=C2c3ccccc3CC[C@@H]2C1=O ZINC000634599342 1129119738 /nfs/dbraw/zinc/11/97/38/1129119738.db2.gz GMOLHAXCYCNIJV-DYVFJYSZSA-N 0 1 290.366 3.557 20 0 CHADMN Clc1ncccc1CN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000852594934 1123409645 /nfs/dbraw/zinc/40/96/45/1123409645.db2.gz FARXGONPRYASLI-HIFRSBDPSA-N 0 1 294.826 3.516 20 0 CHADMN Clc1cc(CN2CCC([C@H]3CCCCO3)CC2)ccn1 ZINC000852593868 1123409904 /nfs/dbraw/zinc/40/99/04/1123409904.db2.gz ISDIWXLFJFONOF-OAHLLOKOSA-N 0 1 294.826 3.516 20 0 CHADMN O=C1[C@H]2CCCCCC2=NN1c1nccc2sccc21 ZINC000634596725 1129119826 /nfs/dbraw/zinc/11/98/26/1129119826.db2.gz OSDHQMCYTKENRY-JTQLQIEISA-N 0 1 285.372 3.579 20 0 CHADMN C[C@H]1COC2(CCCC2)CN1C[C@@]1(C)CC1(Cl)Cl ZINC000852635256 1123411138 /nfs/dbraw/zinc/41/11/38/1123411138.db2.gz FANQEJJXLCUFPI-NWDGAFQWSA-N 0 1 292.250 3.604 20 0 CHADMN Cc1nc(CNC2(CC(C)C)CC2)nc2ccccc12 ZINC000852683414 1123411661 /nfs/dbraw/zinc/41/16/61/1123411661.db2.gz WGKOEJVYOMXJBU-UHFFFAOYSA-N 0 1 269.392 3.607 20 0 CHADMN COc1cc(CNCc2ccc(C(F)F)nc2)ccc1C ZINC000631054361 1123412977 /nfs/dbraw/zinc/41/29/77/1123412977.db2.gz WQRJIYIBLVARKG-UHFFFAOYSA-N 0 1 292.329 3.626 20 0 CHADMN CCCCC[C@H]1CCCCN1Cc1nccc(C)n1 ZINC000852711557 1123413201 /nfs/dbraw/zinc/41/32/01/1123413201.db2.gz GEHMCCJUOLWHOY-HNNXBMFYSA-N 0 1 261.413 3.720 20 0 CHADMN Clc1cnc(CN2CCCC[C@H]2CC2CCC2)cn1 ZINC000852712861 1123413577 /nfs/dbraw/zinc/41/35/77/1123413577.db2.gz XZPSGHIDQUNRLC-AWEZNQCLSA-N 0 1 279.815 3.675 20 0 CHADMN Clc1nc(CN(CCC2CC2)CC2CC2)cs1 ZINC000852717028 1123413736 /nfs/dbraw/zinc/41/37/36/1123413736.db2.gz XXYSJLXSJSWWEW-UHFFFAOYSA-N 0 1 270.829 3.809 20 0 CHADMN C[C@H]1CC[C@@H]2C(=O)N(Cc3ccc(Cl)cc3Cl)N=C12 ZINC000634591886 1129120174 /nfs/dbraw/zinc/12/01/74/1129120174.db2.gz RDQQWIBSSLADMQ-KWQFWETISA-N 0 1 297.185 3.738 20 0 CHADMN C[C@H]1CCc2c(=O)n(Cc3ccc(Cl)cc3Cl)[nH]c21 ZINC000634591886 1129120175 /nfs/dbraw/zinc/12/01/75/1129120175.db2.gz RDQQWIBSSLADMQ-KWQFWETISA-N 0 1 297.185 3.738 20 0 CHADMN CC1=C[C@@H](C)C[C@@H](CN(C)Cc2nccs2)C1 ZINC000428279092 1123415364 /nfs/dbraw/zinc/41/53/64/1123415364.db2.gz VDHNVBMZQUMKAR-DGCLKSJQSA-N 0 1 250.411 3.567 20 0 CHADMN CCCCCC[C@H](CC)CN(C)C(=O)c1coc(CN)c1 ZINC000852870428 1123416650 /nfs/dbraw/zinc/41/66/50/1123416650.db2.gz OEBFTJPQDORYPU-AWEZNQCLSA-N 0 1 294.439 3.807 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000335723787 1123418263 /nfs/dbraw/zinc/41/82/63/1123418263.db2.gz MAINOOANXGJBMY-RYUDHWBXSA-N 0 1 291.345 3.629 20 0 CHADMN CCCCCCNC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000111036329 1123420353 /nfs/dbraw/zinc/42/03/53/1123420353.db2.gz KQZWLWBBLBWWJT-KRWDZBQOSA-N 0 1 290.451 3.766 20 0 CHADMN CC(C)[C@@H]1CCc2[nH]n(-c3ccncc3Cl)c(=O)c2C1 ZINC000634608931 1129120744 /nfs/dbraw/zinc/12/07/44/1129120744.db2.gz QPHRDBQUYBJGAL-MNOVXSKESA-N 0 1 291.782 3.510 20 0 CHADMN CCCn1cc(CN2CCCCC[C@H]2c2ccncc2)cn1 ZINC000157017722 1129121144 /nfs/dbraw/zinc/12/11/44/1129121144.db2.gz CNLHTMJJVYTAAK-SFHVURJKSA-N 0 1 298.434 3.805 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccnn1CC1CCC1)c1ccncc1 ZINC000925125223 1123433891 /nfs/dbraw/zinc/43/38/91/1123433891.db2.gz BUKYBTXERSBSMR-WMLDXEAASA-N 0 1 298.434 3.880 20 0 CHADMN Cc1ccc(-c2nn(C)cc2CN2C3CCCC2CCC3)o1 ZINC000648010555 1123435470 /nfs/dbraw/zinc/43/54/70/1123435470.db2.gz HSTZPAXPACHOMK-UHFFFAOYSA-N 0 1 299.418 3.896 20 0 CHADMN CCC[C@H]1C(C)=NN(c2nc3ccccc3cc2C)C1=O ZINC000634615832 1129121737 /nfs/dbraw/zinc/12/17/37/1129121737.db2.gz SNFKXJGBKZEXKA-AWEZNQCLSA-N 0 1 281.359 3.682 20 0 CHADMN CCc1cccc(CNCc2nc3ccccc3nc2C)c1 ZINC000639293731 1123442178 /nfs/dbraw/zinc/44/21/78/1123442178.db2.gz AOIHLISNWQNUPB-UHFFFAOYSA-N 0 1 291.398 3.790 20 0 CHADMN CCN(CCC1(OC)CCC1)Cc1c(F)cccc1F ZINC000338956392 1123442633 /nfs/dbraw/zinc/44/26/33/1123442633.db2.gz YIMWVROLCRKJID-UHFFFAOYSA-N 0 1 283.362 3.746 20 0 CHADMN CC(C)CSCCCN1CCOC[C@H]1c1ccccc1 ZINC000443602870 1123442718 /nfs/dbraw/zinc/44/27/18/1123442718.db2.gz LAARJSLDFDGUGR-KRWDZBQOSA-N 0 1 293.476 3.839 20 0 CHADMN C[C@@H](N[C@H]1CCCOc2ccc(F)cc21)c1ccncc1 ZINC000335843762 1123445863 /nfs/dbraw/zinc/44/58/63/1123445863.db2.gz HRTFREXVXVTMBB-WBMJQRKESA-N 0 1 286.350 3.785 20 0 CHADMN CCC(CC)CN(CC)Cc1nc(C2CCCC2)no1 ZINC000443626010 1123449709 /nfs/dbraw/zinc/44/97/09/1123449709.db2.gz AJOHVYKMWZAPTB-UHFFFAOYSA-N 0 1 279.428 3.985 20 0 CHADMN Cc1cnc([C@H](C)N2CCC[C@@H]2c2cccs2)cn1 ZINC000335876853 1123453138 /nfs/dbraw/zinc/45/31/38/1123453138.db2.gz ZVBJQOJIMSDXAU-GXTWGEPZSA-N 0 1 273.405 3.745 20 0 CHADMN CC1(C)CN(CC[C@@H](O)c2ccccc2)[C@@H]1c1cccnc1 ZINC000854042012 1123467287 /nfs/dbraw/zinc/46/72/87/1123467287.db2.gz UTSUFIXMUUXMPV-QZTJIDSGSA-N 0 1 296.414 3.588 20 0 CHADMN C[C@H]1CCCCN1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000443676919 1123469403 /nfs/dbraw/zinc/46/94/03/1123469403.db2.gz XGRWXBNOFKCLTQ-LBPRGKRZSA-N 0 1 291.345 3.525 20 0 CHADMN C[C@H](N[C@@H]1CCc2cc(N)ccc21)c1cccnc1Cl ZINC000854227582 1123478911 /nfs/dbraw/zinc/47/89/11/1123478911.db2.gz WFVJHKQMOUHRIP-ZUZCIYMTSA-N 0 1 287.794 3.655 20 0 CHADMN CCC(F)(F)c1ccccc1NCc1cnc[nH]1 ZINC000895462043 1123483167 /nfs/dbraw/zinc/48/31/67/1123483167.db2.gz HMEXXQOWJIZUIQ-UHFFFAOYSA-N 0 1 251.280 3.524 20 0 CHADMN Clc1cscc1CN1CC[C@@H](c2nccs2)C1 ZINC000895580657 1123495466 /nfs/dbraw/zinc/49/54/66/1123495466.db2.gz IIQVADIECUNPCF-SECBINFHSA-N 0 1 284.837 3.848 20 0 CHADMN CCCCC[C@H](CC)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000854810296 1123495763 /nfs/dbraw/zinc/49/57/63/1123495763.db2.gz POAAWCOEXAKPGG-AWEZNQCLSA-N 0 1 287.407 3.786 20 0 CHADMN CC(C)(C(=O)NCc1ccc2nc[nH]c2c1)C1CCCCC1 ZINC000854810497 1123495991 /nfs/dbraw/zinc/49/59/91/1123495991.db2.gz XMQOGYUDFUMPOG-UHFFFAOYSA-N 0 1 299.418 3.786 20 0 CHADMN CC(C)=CCC[C@H](C)CCNCc1nc(C(F)F)no1 ZINC000895724150 1123508106 /nfs/dbraw/zinc/50/81/06/1123508106.db2.gz FLTOTCQUDZUSMI-NSHDSACASA-N 0 1 287.354 3.869 20 0 CHADMN O[C@@H](CNc1ccnc2cc(F)ccc21)c1ccccc1 ZINC000113246797 1123515130 /nfs/dbraw/zinc/51/51/30/1123515130.db2.gz IFRWCCNVHQIIJC-KRWDZBQOSA-N 0 1 282.318 3.519 20 0 CHADMN Fc1ccc2c(c1)[C@H](N1CCO[C@H](C(F)F)CC1)CCC2 ZINC000634757416 1129127073 /nfs/dbraw/zinc/12/70/73/1129127073.db2.gz RHWKLRJTUSHVGJ-CABCVRRESA-N 0 1 299.336 3.559 20 0 CHADMN Cc1nc(CNCCSCCC(F)(F)F)sc1C ZINC000895834588 1123520654 /nfs/dbraw/zinc/52/06/54/1123520654.db2.gz UOAWAQAIFRMNEK-UHFFFAOYSA-N 0 1 298.399 3.535 20 0 CHADMN CC[C@@](C)(NCc1ccc(COC)o1)c1ccc(F)cc1 ZINC000631195452 1123525175 /nfs/dbraw/zinc/52/51/75/1123525175.db2.gz YEZRIQSYEBBBBX-QGZVFWFLSA-N 0 1 291.366 3.980 20 0 CHADMN CC(C)C[N@H+](Cc1c([O-])ccc2ccncc21)C1CC1 ZINC000075582048 1129127506 /nfs/dbraw/zinc/12/75/06/1129127506.db2.gz UIRQOINYKQMRBJ-UHFFFAOYSA-N 0 1 270.376 3.561 20 0 CHADMN CC(C)C[N@@H+](Cc1c([O-])ccc2ccncc21)C1CC1 ZINC000075582048 1129127509 /nfs/dbraw/zinc/12/75/09/1129127509.db2.gz UIRQOINYKQMRBJ-UHFFFAOYSA-N 0 1 270.376 3.561 20 0 CHADMN C[C@@H]1CCC[C@H]1CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000474427301 1123527168 /nfs/dbraw/zinc/52/71/68/1123527168.db2.gz PCPMFPJESHDTMN-BDAKNGLRSA-N 0 1 285.746 3.950 20 0 CHADMN CN(CCCF)Cc1ccc(C(F)(F)F)s1 ZINC000895896212 1123529135 /nfs/dbraw/zinc/52/91/35/1123529135.db2.gz QZNZMDGUXMPXPN-UHFFFAOYSA-N 0 1 255.280 3.558 20 0 CHADMN CC1(C)CCN(C(=O)c2cc(C3CC3)[nH]n2)CC(C)(C)C1 ZINC000855690953 1123530810 /nfs/dbraw/zinc/53/08/10/1123530810.db2.gz VVDXJLGFEFZISJ-UHFFFAOYSA-N 0 1 289.423 3.576 20 0 CHADMN Cc1cnc(CN[C@H]2CCc3cccc4cccc2c43)cn1 ZINC000895935973 1123533213 /nfs/dbraw/zinc/53/32/13/1123533213.db2.gz SBFCKSUYSYNLCI-SFHVURJKSA-N 0 1 289.382 3.715 20 0 CHADMN CC[C@H](NCc1ccnn1CC)c1sccc1Cl ZINC000883238011 1123538776 /nfs/dbraw/zinc/53/87/76/1123538776.db2.gz PHRPRZPITNCIHM-LBPRGKRZSA-N 0 1 283.828 3.859 20 0 CHADMN CSC1(CNCc2nnc(C3CC3)s2)CCCCC1 ZINC000896054743 1123545464 /nfs/dbraw/zinc/54/54/64/1123545464.db2.gz ZUCZYFKOBCIMLG-UHFFFAOYSA-N 0 1 297.493 3.571 20 0 CHADMN Cc1n[nH]cc1CN(Cc1ccccc1)Cc1ccccc1 ZINC000157476765 1129128698 /nfs/dbraw/zinc/12/86/98/1129128698.db2.gz ZLFPNDCDWSFXIS-UHFFFAOYSA-N 0 1 291.398 3.921 20 0 CHADMN CCCCC[C@H]1CCCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000856269821 1123553885 /nfs/dbraw/zinc/55/38/85/1123553885.db2.gz DBMHYHGLHXDWJQ-AWEZNQCLSA-N 0 1 289.423 3.862 20 0 CHADMN C[C@@H]1C[C@H](NCc2csc(-c3cccs3)n2)[C@H](C)O1 ZINC000631221071 1123554340 /nfs/dbraw/zinc/55/43/40/1123554340.db2.gz DVVOOIOOPSDFBD-SCVCMEIPSA-N 0 1 294.445 3.527 20 0 CHADMN CN(CCc1ccccc1O)Cc1ccc(F)cc1Cl ZINC000544366412 1123558759 /nfs/dbraw/zinc/55/87/59/1123558759.db2.gz SHCJVJYJFKGSTC-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN Cc1ccc([C@@H](C)NCc2nc3ccccc3[nH]2)cc1 ZINC000054375468 1123559255 /nfs/dbraw/zinc/55/92/55/1123559255.db2.gz ANOFVJNUVHQVDF-CYBMUJFWSA-N 0 1 265.360 3.722 20 0 CHADMN FC(F)(F)c1nc(CNC[C@@]23C[C@@H]2CCCC3)cs1 ZINC000896268516 1123567845 /nfs/dbraw/zinc/56/78/45/1123567845.db2.gz PJMBPXIZXQDCGM-JOYOIKCWSA-N 0 1 290.354 3.832 20 0 CHADMN C[C@@H]1CCCN(Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000621114165 1129130168 /nfs/dbraw/zinc/13/01/68/1129130168.db2.gz VPQCWLNBTOJIOQ-OAHLLOKOSA-N 0 1 295.430 3.593 20 0 CHADMN C[C@@H](NCc1cc(F)cc(F)c1)c1cccc(F)c1 ZINC000097901294 1123577900 /nfs/dbraw/zinc/57/79/00/1123577900.db2.gz GIXQKBUEMLPUKA-SNVBAGLBSA-N 0 1 265.278 3.955 20 0 CHADMN O=C([O-])[C@H]1CCCCC[N@H+]1Cc1csc2ccccc12 ZINC000080992776 1129131000 /nfs/dbraw/zinc/13/10/00/1129131000.db2.gz VCPGOAWBOXKGDS-CQSZACIVSA-N 0 1 289.400 3.731 20 0 CHADMN Cc1ncsc1CN(C)[C@H](C)c1cccc(C)c1 ZINC000173361473 1123593556 /nfs/dbraw/zinc/59/35/56/1123593556.db2.gz CAROHBVCVNEONT-CYBMUJFWSA-N 0 1 260.406 3.953 20 0 CHADMN COCC1(C2CC2)CN(Cc2ccc(-c3ccccc3)o2)C1 ZINC000639380202 1123609705 /nfs/dbraw/zinc/60/97/05/1123609705.db2.gz PHJKHCMNSZHZMF-UHFFFAOYSA-N 0 1 297.398 3.805 20 0 CHADMN Cc1cc(F)ncc1CN(Cc1ccccn1)CC(C)C ZINC000896661896 1123610607 /nfs/dbraw/zinc/61/06/07/1123610607.db2.gz ZCGWEPMJVKHYHW-UHFFFAOYSA-N 0 1 287.382 3.582 20 0 CHADMN c1csc([C@@H](N[C@H]2CCCc3c[nH]nc32)C2CC2)c1 ZINC000857847359 1123621112 /nfs/dbraw/zinc/62/11/12/1123621112.db2.gz ZCPMGIMYHAOGAN-WFASDCNBSA-N 0 1 273.405 3.590 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000157860268 1129133933 /nfs/dbraw/zinc/13/39/33/1129133933.db2.gz VYMADPGHXSTZET-HXPMCKFVSA-N 0 1 293.457 3.679 20 0 CHADMN Fc1ccc(C2(N[C@H]3CCCc4c[nH]nc43)CCC2)cc1 ZINC000857862128 1123623332 /nfs/dbraw/zinc/62/33/32/1123623332.db2.gz YRJMXHYEYZPPGK-HNNXBMFYSA-N 0 1 285.366 3.595 20 0 CHADMN COc1cc(C)c(C)cc1N[C@H]1CCCc2cn[nH]c21 ZINC000857872423 1123624013 /nfs/dbraw/zinc/62/40/13/1123624013.db2.gz MMHUNHIZCQBIRC-ZDUSSCGKSA-N 0 1 271.364 3.525 20 0 CHADMN C[C@H](CN(C)Cc1nccs1)C1CCCCC1 ZINC000339009918 1123627748 /nfs/dbraw/zinc/62/77/48/1123627748.db2.gz LWFZBKZYBSZVPV-GFCCVEGCSA-N 0 1 252.427 3.791 20 0 CHADMN C[C@@H]1CCC[C@H](c2noc(-c3ccc4cncn4c3)n2)C1 ZINC000329596774 1123629441 /nfs/dbraw/zinc/62/94/41/1123629441.db2.gz PHIWXGAZLBMQQO-NEPJUHHUSA-N 0 1 282.347 3.678 20 0 CHADMN CC(C)(C)c1noc(CN[C@H]2CCCCC23CCCC3)n1 ZINC000329622078 1123633848 /nfs/dbraw/zinc/63/38/48/1123633848.db2.gz NFGUBWBFCUNFBG-ZDUSSCGKSA-N 0 1 291.439 3.960 20 0 CHADMN CC(C)(NCc1ccnc(F)c1)c1ccc(F)c(F)c1 ZINC000858148705 1123634986 /nfs/dbraw/zinc/63/49/86/1123634986.db2.gz IBDDFFPELHVPJK-UHFFFAOYSA-N 0 1 280.293 3.524 20 0 CHADMN CC(C)[C@@H](NCc1ccnc(F)c1)c1ccc(F)cc1F ZINC000858150044 1123635213 /nfs/dbraw/zinc/63/52/13/1123635213.db2.gz FJLLRSHWIKFCKY-MRXNPFEDSA-N 0 1 294.320 3.986 20 0 CHADMN Cc1cc(CN[C@@H]2CC23CC3)c(Br)cc1F ZINC000858183161 1123635826 /nfs/dbraw/zinc/63/58/26/1123635826.db2.gz WLWQTFBNOWOILY-GFCCVEGCSA-N 0 1 284.172 3.539 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(C(F)(F)F)cc1)c1ccnn1C ZINC000192249061 1123637252 /nfs/dbraw/zinc/63/72/52/1123637252.db2.gz IIUCXGASBTYPRL-GHMZBOCLSA-N 0 1 297.324 3.851 20 0 CHADMN CN(Cc1cnc2ccccn12)Cc1ccc(Cl)cc1 ZINC000157956724 1129135284 /nfs/dbraw/zinc/13/52/84/1129135284.db2.gz ACNDPZNWZWYBNS-UHFFFAOYSA-N 0 1 285.778 3.620 20 0 CHADMN C/C=C/CNCc1c(C)nn(Cc2ccccc2)c1Cl ZINC000858290820 1123642526 /nfs/dbraw/zinc/64/25/26/1123642526.db2.gz IHBKZICVFMXDSF-ONEGZZNKSA-N 0 1 289.810 3.559 20 0 CHADMN CC[C@]1(C)CN(Cc2ccc3nc(C)ccc3c2)CCO1 ZINC000443865061 1123644666 /nfs/dbraw/zinc/64/46/66/1123644666.db2.gz WBQZHTWWMVBOQW-GOSISDBHSA-N 0 1 284.403 3.544 20 0 CHADMN Cc1ccc(F)cc1CNc1nccn1Cc1ccccc1 ZINC000508450915 1123649488 /nfs/dbraw/zinc/64/94/88/1123649488.db2.gz HQQXLLDUSBMIGR-UHFFFAOYSA-N 0 1 295.361 3.991 20 0 CHADMN Cc1csc([C@H](C)Nc2ccc(CN(C)C)c(F)c2)n1 ZINC000858401327 1123651486 /nfs/dbraw/zinc/65/14/86/1123651486.db2.gz OVJHFESBUMDHLO-NSHDSACASA-N 0 1 293.411 3.825 20 0 CHADMN C[C@H]1C[C@@H](Nc2ncc(-c3ccccc3)s2)CC[N@H+]1C ZINC000475041356 1123654393 /nfs/dbraw/zinc/65/43/93/1123654393.db2.gz XPLROPMTVDCDAQ-JSGCOSHPSA-N 0 1 287.432 3.705 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)Nc2nc(Cl)cs2)n[nH]1 ZINC000858514661 1123659432 /nfs/dbraw/zinc/65/94/32/1123659432.db2.gz VSUMQBVTLLMCLX-RQJHMYQMSA-N 0 1 285.804 3.601 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)Nc2nc(Cl)cs2)n[nH]1 ZINC000858514659 1123659622 /nfs/dbraw/zinc/65/96/22/1123659622.db2.gz VSUMQBVTLLMCLX-RNFRBKRXSA-N 0 1 285.804 3.601 20 0 CHADMN Cc1ccccc1CNCc1cnc(C(F)(F)F)s1 ZINC000443974139 1123662797 /nfs/dbraw/zinc/66/27/97/1123662797.db2.gz RZMOZOBOSBQUJS-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)cc1N(C)C)c1ccns1 ZINC000858575813 1123664097 /nfs/dbraw/zinc/66/40/97/1123664097.db2.gz FPOGTPMTJMMUJX-QWRGUYRKSA-N 0 1 293.411 3.760 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccns2)c(C)n1 ZINC000858577910 1123664528 /nfs/dbraw/zinc/66/45/28/1123664528.db2.gz SLAYCVXSCVOVED-NEPJUHHUSA-N 0 1 261.394 3.567 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccns1 ZINC000858579995 1123665422 /nfs/dbraw/zinc/66/54/22/1123665422.db2.gz ZTXSNBYWBMEVHB-STQMWFEESA-N 0 1 298.415 3.741 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc2c(c1)CCCO2)c1ccns1 ZINC000858578419 1123665437 /nfs/dbraw/zinc/66/54/37/1123665437.db2.gz ZNVONRHOZANHLK-VXGBXAGGSA-N 0 1 288.416 3.880 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccns1 ZINC000858579987 1123665798 /nfs/dbraw/zinc/66/57/98/1123665798.db2.gz ZTXSNBYWBMEVHB-CHWSQXEVSA-N 0 1 298.415 3.741 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCc3ccc(Cl)cc32)n(C)n1 ZINC000858582163 1123665995 /nfs/dbraw/zinc/66/59/95/1123665995.db2.gz NITWBZBDGIPNFV-NHYWBVRUSA-N 0 1 289.810 3.720 20 0 CHADMN CC[C@H]1CN(Cc2cc(C)c3ncccc3c2)C[C@@H](C)O1 ZINC000346159408 1123669058 /nfs/dbraw/zinc/66/90/58/1123669058.db2.gz VGHQDHLZXSISHE-PBHICJAKSA-N 0 1 284.403 3.543 20 0 CHADMN Cc1sccc1CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000346234153 1123673133 /nfs/dbraw/zinc/67/31/33/1123673133.db2.gz IZUIEXFBWUAUQK-UHFFFAOYSA-N 0 1 299.754 3.736 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2ccnc(F)c2)cc1 ZINC000859051065 1123681227 /nfs/dbraw/zinc/68/12/27/1123681227.db2.gz AFMRRAAMLSVLFM-INIZCTEOSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N(C)C[C@@H]1CCCCO1 ZINC000346331503 1123681763 /nfs/dbraw/zinc/68/17/63/1123681763.db2.gz WFNCXPFYPDDXRJ-YPMHNXCESA-N 0 1 269.335 3.527 20 0 CHADMN CCN(Cc1ccnc(F)c1)Cc1ccccc1C ZINC000859062466 1123681770 /nfs/dbraw/zinc/68/17/70/1123681770.db2.gz XWUKFXPSGJPCPW-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN CC(C)n1ccnc1CN[C@@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000348533397 1123686234 /nfs/dbraw/zinc/68/62/34/1123686234.db2.gz SPFBEAASFXRZRY-QWQRMKEZSA-N 0 1 299.418 3.507 20 0 CHADMN Fc1cc(CN(C2CC2)[C@H]2CCc3ccccc32)ccn1 ZINC000859173494 1123688414 /nfs/dbraw/zinc/68/84/14/1123688414.db2.gz UGITVRRZMKECHS-KRWDZBQOSA-N 0 1 282.362 3.873 20 0 CHADMN CC[C@H](N[C@H]1CCCc2ccc(F)cc21)c1nccn1C ZINC000281296880 1123695402 /nfs/dbraw/zinc/69/54/02/1123695402.db2.gz YJWYGXJSHWLGOH-HOTGVXAUSA-N 0 1 287.382 3.678 20 0 CHADMN CCCN(CC(=O)c1cccn1C)[C@H]1CCc2ccccc21 ZINC000346590459 1123696322 /nfs/dbraw/zinc/69/63/22/1123696322.db2.gz GIJVFQOJLHMVKV-KRWDZBQOSA-N 0 1 296.414 3.607 20 0 CHADMN c1cc2c(cccc2CNc2ccc3nc[nH]c3c2)[nH]1 ZINC000346647339 1123701218 /nfs/dbraw/zinc/70/12/18/1123701218.db2.gz NJXINIXFBVXPAV-UHFFFAOYSA-N 0 1 262.316 3.656 20 0 CHADMN CC1CC(N[C@@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000346626392 1123702238 /nfs/dbraw/zinc/70/22/38/1123702238.db2.gz QNUCMBNRCDVCKJ-AVVITEIWSA-N 0 1 288.341 3.837 20 0 CHADMN Cc1cc(N2CC[C@@](C)(F)C2)c2cc(F)ccc2n1 ZINC000346661918 1123705309 /nfs/dbraw/zinc/70/53/09/1123705309.db2.gz UPQQDCUCALDZSK-OAHLLOKOSA-N 0 1 262.303 3.621 20 0 CHADMN Cc1nn(C(C)C)cc1CN(C)Cc1cccc(C)c1 ZINC000281430292 1123707752 /nfs/dbraw/zinc/70/77/52/1123707752.db2.gz CDICZRMPGGNRIE-UHFFFAOYSA-N 0 1 271.408 3.713 20 0 CHADMN CC[N@@H+](CCC(C)(C)C(=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000859784639 1123709370 /nfs/dbraw/zinc/70/93/70/1123709370.db2.gz KJXWQPBRURTLEI-GFCCVEGCSA-N 0 1 281.371 3.710 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000859812529 1123710815 /nfs/dbraw/zinc/71/08/15/1123710815.db2.gz QUFOJIHOPLVXGT-HRCADAONSA-N 0 1 293.451 3.802 20 0 CHADMN Cc1ccccc1[C@H](C)N(C)[C@H](c1nccn1C)C1CC1 ZINC000637901402 1129235875 /nfs/dbraw/zinc/23/58/75/1129235875.db2.gz CPVXGFDBDIJKEN-YOEHRIQHSA-N 0 1 283.419 3.873 20 0 CHADMN Cc1ccc(CNc2ccc3nn[nH]c3c2)cc1Cl ZINC000444003549 1123720328 /nfs/dbraw/zinc/72/03/28/1123720328.db2.gz SUAAXLAHHQICBC-UHFFFAOYSA-N 0 1 272.739 3.532 20 0 CHADMN Cc1ccc(CNc2ccc3n[nH]nc3c2)cc1Cl ZINC000444003549 1123720332 /nfs/dbraw/zinc/72/03/32/1123720332.db2.gz SUAAXLAHHQICBC-UHFFFAOYSA-N 0 1 272.739 3.532 20 0 CHADMN CC(C)CCc1noc(CN(C)[C@H]2CCCC[C@@H]2C)n1 ZINC000444040614 1123722299 /nfs/dbraw/zinc/72/22/99/1123722299.db2.gz SFTPUNLTOGFEGU-KBPBESRZSA-N 0 1 279.428 3.669 20 0 CHADMN C/C=C\C[C@H]1CCCN(Cc2ncc(C(C)C)o2)C1 ZINC000860178864 1123724233 /nfs/dbraw/zinc/72/42/33/1123724233.db2.gz FJZHJHAOJUUCSX-WSNITJDQSA-N 0 1 262.397 3.976 20 0 CHADMN C[C@H](NCCOC1CCC1)c1ccccc1Br ZINC000346904616 1123729946 /nfs/dbraw/zinc/72/99/46/1123729946.db2.gz MDXOKVJOVVOZFR-NSHDSACASA-N 0 1 298.224 3.669 20 0 CHADMN C[C@@H](NCCOC1CCC1)c1ccc(F)cc1Cl ZINC000346907618 1123731560 /nfs/dbraw/zinc/73/15/60/1123731560.db2.gz OYQXJXGPUOSZSY-SNVBAGLBSA-N 0 1 271.763 3.699 20 0 CHADMN Cc1nn(C(C)C)cc1CN(C)[C@H](C)c1ccccc1 ZINC000281648337 1123734006 /nfs/dbraw/zinc/73/40/06/1123734006.db2.gz PKXFDNQLPUUECZ-OAHLLOKOSA-N 0 1 271.408 3.965 20 0 CHADMN CC(C)CN(Cc1ccccc1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000346936289 1123734444 /nfs/dbraw/zinc/73/44/44/1123734444.db2.gz UUWNUBGYSZABMC-UHFFFAOYSA-N 0 1 297.402 3.586 20 0 CHADMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cncc(F)c2)C1(CC)CC ZINC000346982719 1123738897 /nfs/dbraw/zinc/73/88/97/1123738897.db2.gz NYQBZRUEDZDCMS-CVEARBPZSA-N 0 1 294.414 3.636 20 0 CHADMN CCN(c1ccc(N[C@H](C)c2ccn(C)n2)cc1)C(C)C ZINC000840732695 1123751097 /nfs/dbraw/zinc/75/10/97/1123751097.db2.gz IHNSIAJAXDEJFH-CQSZACIVSA-N 0 1 286.423 3.828 20 0 CHADMN Cc1ncsc1CN[C@H]1CCCOc2ccc(F)cc21 ZINC000336311977 1123759728 /nfs/dbraw/zinc/75/97/28/1123759728.db2.gz LYNNBSOKVFDCBE-ZDUSSCGKSA-N 0 1 292.379 3.594 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](C(F)(F)F)[C@H]2C)nc1 ZINC000336327296 1123761116 /nfs/dbraw/zinc/76/11/16/1123761116.db2.gz UXDJAHADMRUCDI-DGCLKSJQSA-N 0 1 272.314 3.553 20 0 CHADMN CCOC(=O)[C@@H](CC)N1CCC[C@@H]1c1ccc(C)s1 ZINC000444161581 1123763172 /nfs/dbraw/zinc/76/31/72/1123763172.db2.gz RNJRXDFSHLSJDZ-CHWSQXEVSA-N 0 1 281.421 3.535 20 0 CHADMN Cc1n[nH]c(C)c1CN[C@H]1CCc2sc(Cl)cc21 ZINC000336406161 1123770280 /nfs/dbraw/zinc/77/02/80/1123770280.db2.gz YMOUMCMKYDRIAQ-NSHDSACASA-N 0 1 281.812 3.519 20 0 CHADMN Cc1cc(C(=O)CN2CCC[C@H]2C(C)C)c(C)n1C1CC1 ZINC000444249330 1123774396 /nfs/dbraw/zinc/77/43/96/1123774396.db2.gz PVVJTZQQFDGLFA-KRWDZBQOSA-N 0 1 288.435 3.743 20 0 CHADMN CCC[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000042336641 1123781870 /nfs/dbraw/zinc/78/18/70/1123781870.db2.gz MEJDKKKTJRAIQZ-RWMBFGLXSA-N 0 1 296.842 3.684 20 0 CHADMN CSCC1CCN(Cc2cnc(Cl)c(C)c2)CC1 ZINC000896936980 1123790072 /nfs/dbraw/zinc/79/00/72/1123790072.db2.gz IAJINUIBJKZKKX-UHFFFAOYSA-N 0 1 284.856 3.618 20 0 CHADMN COc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1SC ZINC000840773062 1123790929 /nfs/dbraw/zinc/79/09/29/1123790929.db2.gz DEJKKCFMIQZIRO-GFCCVEGCSA-N 0 1 289.404 3.630 20 0 CHADMN Cc1c(F)nccc1CN(C)[C@H](C)c1ccccc1 ZINC000862212389 1123791656 /nfs/dbraw/zinc/79/16/56/1123791656.db2.gz IDMORGALFAONSP-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN [O-]c1ccc(F)c(C[NH2+][C@H]2CCSC3(CCC3)C2)c1F ZINC000896952247 1123792788 /nfs/dbraw/zinc/79/27/88/1123792788.db2.gz VQYCUZWSISZDTK-JTQLQIEISA-N 0 1 299.386 3.578 20 0 CHADMN c1cnc2cccc(C[N@H+](Cc3ccncc3)C3CC3)c2c1 ZINC000639550177 1123794597 /nfs/dbraw/zinc/79/45/97/1123794597.db2.gz XJMGMESXGCPMGX-UHFFFAOYSA-N 0 1 289.382 3.794 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccncn1)c1cccc(C(F)(F)F)c1 ZINC000395915703 1123795717 /nfs/dbraw/zinc/79/57/17/1123795717.db2.gz RDLOMFMDXKQXPJ-MNOVXSKESA-N 0 1 295.308 3.907 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccnc(F)c2C)cc1F ZINC000862287787 1123798963 /nfs/dbraw/zinc/79/89/63/1123798963.db2.gz ZNGMXLJQYBBZHI-GFCCVEGCSA-N 0 1 276.330 3.827 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN2CCC(O)(C3CCC3)CC2)o1 ZINC000897033644 1123802263 /nfs/dbraw/zinc/80/22/63/1123802263.db2.gz GBICSAKMYSIINI-CZUORRHYSA-N 0 1 289.419 3.530 20 0 CHADMN Cc1c(CN2CCC=C(c3ccccc3)C2)ccnc1F ZINC000862359943 1123803814 /nfs/dbraw/zinc/80/38/14/1123803814.db2.gz WZTPUMVNQNPBST-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN Cc1c(CNCc2ccc(C3CC3)cc2F)ccnc1F ZINC000862374161 1123804338 /nfs/dbraw/zinc/80/43/38/1123804338.db2.gz JKLGRJGHLSYUET-UHFFFAOYSA-N 0 1 288.341 3.835 20 0 CHADMN C[C@H]1CC2(CC(Nc3ccnc4cc(F)ccc43)C2)CO1 ZINC000897053246 1123805203 /nfs/dbraw/zinc/80/52/03/1123805203.db2.gz SLSJWVDXAMIQOY-BLQFLSLASA-N 0 1 286.350 3.743 20 0 CHADMN C[C@@H]1CC2(CC(Nc3ccnc4cc(F)ccc43)C2)CO1 ZINC000897053247 1123805229 /nfs/dbraw/zinc/80/52/29/1123805229.db2.gz SLSJWVDXAMIQOY-FFLHNBHYSA-N 0 1 286.350 3.743 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3cccnc32)cc(C)c1O ZINC000897072593 1123807459 /nfs/dbraw/zinc/80/74/59/1123807459.db2.gz VTYIOOJXFKSBCW-INIZCTEOSA-N 0 1 282.387 3.571 20 0 CHADMN Cc1cc(CN2CCCc3ccccc3C2)cc(Cl)n1 ZINC000320557107 1123814607 /nfs/dbraw/zinc/81/46/07/1123814607.db2.gz DTXAJRQXNLUQBY-UHFFFAOYSA-N 0 1 286.806 3.992 20 0 CHADMN Cc1nc(C)c(CN[C@H]2CCc3ccc(Cl)cc32)o1 ZINC000862539997 1123817945 /nfs/dbraw/zinc/81/79/45/1123817945.db2.gz ZYRFRBLGXKZBHX-AWEZNQCLSA-N 0 1 276.767 3.722 20 0 CHADMN CCN(Cc1sccc1Br)CC(C)C ZINC000043560071 1123824823 /nfs/dbraw/zinc/82/48/23/1123824823.db2.gz BFKPGVARCJRXQU-UHFFFAOYSA-N 0 1 276.243 3.989 20 0 CHADMN Cc1cc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)ccc1F ZINC000475279995 1123830960 /nfs/dbraw/zinc/83/09/60/1123830960.db2.gz LXSDJOSBCPVBNZ-CMPLNLGQSA-N 0 1 275.289 3.907 20 0 CHADMN CC(C)(C)c1coc(CNc2cc[nH+]c3c([O-])cccc23)n1 ZINC000897173241 1123832465 /nfs/dbraw/zinc/83/24/65/1123832465.db2.gz MNRTXNWWLIPZES-UHFFFAOYSA-N 0 1 297.358 3.838 20 0 CHADMN CCCCCN1CCN(Cc2ccc(Cl)s2)CC1 ZINC000248253477 1123863389 /nfs/dbraw/zinc/86/33/89/1123863389.db2.gz JYBIUVKXDSBDCX-UHFFFAOYSA-N 0 1 286.872 3.709 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000248372265 1123878492 /nfs/dbraw/zinc/87/84/92/1123878492.db2.gz ZSLJPIJQYVELDJ-VIKVFOODSA-N 0 1 295.386 3.815 20 0 CHADMN Cc1oc(-c2ccccc2)cc1-c1nc([C@@H](N)C(C)C)no1 ZINC000863657603 1123884750 /nfs/dbraw/zinc/88/47/50/1123884750.db2.gz VOWPMOGQADQFHM-HNNXBMFYSA-N 0 1 297.358 3.961 20 0 CHADMN CSC[C@H](C)Nc1ccnc2cc(F)ccc21 ZINC000301333731 1123892107 /nfs/dbraw/zinc/89/21/07/1123892107.db2.gz MOTXTOGSBYJTAD-VIFPVBQESA-N 0 1 250.342 3.537 20 0 CHADMN C[C@@H](C[N@H+]1CCC[C@H]1c1ncc[nH]1)C1CCCCC1 ZINC000339064899 1123901223 /nfs/dbraw/zinc/90/12/23/1123901223.db2.gz WVRXAEMFBSYUDM-ZFWWWQNUSA-N 0 1 261.413 3.763 20 0 CHADMN C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC000621283986 1129158002 /nfs/dbraw/zinc/15/80/02/1129158002.db2.gz CPOMKPRRHPWDCT-ZSBIGDGJSA-N 0 1 293.794 3.820 20 0 CHADMN Cc1ccnc(NCC2(c3cccc(F)c3)CC2)c1 ZINC000301631220 1123919404 /nfs/dbraw/zinc/91/94/04/1123919404.db2.gz JFZBFQWMWJRJSJ-UHFFFAOYSA-N 0 1 256.324 3.673 20 0 CHADMN COCCN(Cc1ccnc(C)c1)Cc1ccc(C)cc1C ZINC000621251968 1129153952 /nfs/dbraw/zinc/15/39/52/1129153952.db2.gz QRAMNXZSOFATJZ-UHFFFAOYSA-N 0 1 298.430 3.655 20 0 CHADMN CC(C)(C)C[C@@H](CO)Nc1ccnc2cc(F)ccc21 ZINC000301777983 1123932386 /nfs/dbraw/zinc/93/23/86/1123932386.db2.gz LZXBVOMPITVCLL-LBPRGKRZSA-N 0 1 276.355 3.583 20 0 CHADMN Cc1sc(/C=C\c2ncc(CN(C)C)s2)cc1C=O ZINC000794699363 1123937930 /nfs/dbraw/zinc/93/79/30/1123937930.db2.gz BRTATLHOCMCWDF-PLNGDYQASA-N 0 1 292.429 3.558 20 0 CHADMN Fc1cccc(Cl)c1CCN1CC[C@@]2(CC2(F)F)C1 ZINC000649905178 1129155540 /nfs/dbraw/zinc/15/55/40/1129155540.db2.gz VDLQEZVREPVNBW-CYBMUJFWSA-N 0 1 289.728 3.753 20 0 CHADMN FC(F)(F)c1cc(CNc2nccn2C2CC2)cs1 ZINC000865293725 1123970695 /nfs/dbraw/zinc/97/06/95/1123970695.db2.gz UKAOIUCQOOLBCZ-UHFFFAOYSA-N 0 1 287.310 3.910 20 0 CHADMN c1oc(C2CC2)nc1CSc1nc(-c2ccccc2)n[nH]1 ZINC000865345878 1123972268 /nfs/dbraw/zinc/97/22/68/1123972268.db2.gz BAJODYQLCKPBKB-UHFFFAOYSA-N 0 1 298.371 3.629 20 0 CHADMN CC[C@@H](NCc1cccnc1F)c1ccc(C)cc1 ZINC000794836178 1123972555 /nfs/dbraw/zinc/97/25/55/1123972555.db2.gz NYQCJKMVSBKHFQ-OAHLLOKOSA-N 0 1 258.340 3.770 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cncc(Cl)c1 ZINC000621276440 1129157174 /nfs/dbraw/zinc/15/71/74/1129157174.db2.gz HDGCZYIIIDSCHQ-LLVKDONJSA-N 0 1 275.783 3.543 20 0 CHADMN Cc1cccc2ncnc(Nc3cc4cn[nH]c4cc3C)c12 ZINC000302724153 1123980391 /nfs/dbraw/zinc/98/03/91/1123980391.db2.gz NSJHLLABZLLOLC-UHFFFAOYSA-N 0 1 289.342 3.867 20 0 CHADMN c1[nH]nnc1CSc1nc(C2CCCCC2)cs1 ZINC000865395710 1123980366 /nfs/dbraw/zinc/98/03/66/1123980366.db2.gz AQUWHRAQPHPZMR-UHFFFAOYSA-N 0 1 280.422 3.601 20 0 CHADMN CC[C@@H](NCc1cn(C2CC2)cn1)c1ccc(C)cc1 ZINC000865402439 1123981248 /nfs/dbraw/zinc/98/12/48/1123981248.db2.gz ZFDMHTTYHLRJAI-QGZVFWFLSA-N 0 1 269.392 3.767 20 0 CHADMN C[C@@H](NCc1cn(C2CC2)cn1)c1ccc2c(c1)CCCC2 ZINC000865404466 1123981433 /nfs/dbraw/zinc/98/14/33/1123981433.db2.gz LXZJDFHUFBEGCM-CQSZACIVSA-N 0 1 295.430 3.948 20 0 CHADMN Cc1cccc(CNCc2cccc(Cl)c2C)n1 ZINC000865420111 1123982452 /nfs/dbraw/zinc/98/24/52/1123982452.db2.gz LCBDWVCLWIFKJD-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cc3c(cc[nH]c3=O)o2)s1 ZINC000865429556 1123983357 /nfs/dbraw/zinc/98/33/57/1123983357.db2.gz YHHFQCKCJFFYCA-SNVBAGLBSA-N 0 1 288.372 3.754 20 0 CHADMN CN1CC[C@@H](Nc2ncccc2Cl)[C@@H]1c1ccccc1 ZINC000302831361 1123985915 /nfs/dbraw/zinc/98/59/15/1123985915.db2.gz QVBJNHCVKUDKHM-CABCVRRESA-N 0 1 287.794 3.592 20 0 CHADMN CN1CC[C@H](Nc2ncccc2Cl)[C@H]1c1ccccc1 ZINC000302831364 1123985955 /nfs/dbraw/zinc/98/59/55/1123985955.db2.gz QVBJNHCVKUDKHM-LSDHHAIUSA-N 0 1 287.794 3.592 20 0 CHADMN CC[C@](C)(NCc1cn(C2CC2)cn1)c1ccccc1 ZINC000865456034 1123986076 /nfs/dbraw/zinc/98/60/76/1123986076.db2.gz IPHGOXPRGDIZHS-KRWDZBQOSA-N 0 1 269.392 3.633 20 0 CHADMN CC1(C)C[C@@H](CNc2cc[nH+]c3c([O-])cccc23)CCO1 ZINC000665723813 1123991362 /nfs/dbraw/zinc/99/13/62/1123991362.db2.gz HQEXWXVMKNGPQB-LBPRGKRZSA-N 0 1 286.375 3.558 20 0 CHADMN COc1ccccc1[C@H](C)NCc1cncc(Cl)c1 ZINC000621273037 1129159376 /nfs/dbraw/zinc/15/93/76/1129159376.db2.gz KTNDIVDHHIYQSI-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN CCOc1cc(F)cc(CN[C@@H](C)c2cncc(F)c2)c1 ZINC000865524138 1123992683 /nfs/dbraw/zinc/99/26/83/1123992683.db2.gz HXZUBEGIGUKDRN-NSHDSACASA-N 0 1 292.329 3.609 20 0 CHADMN CCCN(CC(=O)c1cc(C)n(C)c1C)Cc1ccccc1 ZINC000384405885 1123993494 /nfs/dbraw/zinc/99/34/94/1123993494.db2.gz DSYXQOFNJXWDIT-UHFFFAOYSA-N 0 1 298.430 3.737 20 0 CHADMN CCOCC(C)(C)CNCc1c(Cl)cncc1Cl ZINC000865572534 1123995777 /nfs/dbraw/zinc/99/57/77/1123995777.db2.gz QHYFPZOFSJQDRG-UHFFFAOYSA-N 0 1 291.222 3.541 20 0 CHADMN CCC(CC)(CNCc1c(Cl)cncc1Cl)OC ZINC000865577380 1123995928 /nfs/dbraw/zinc/99/59/28/1123995928.db2.gz KOXVAJGSEDAVCL-UHFFFAOYSA-N 0 1 291.222 3.683 20 0 CHADMN CC(C)c1nc(CNCc2cccc(CC3CCC3)c2)n[nH]1 ZINC000865585586 1123997312 /nfs/dbraw/zinc/99/73/12/1123997312.db2.gz ZGPYXWHLICSZOD-UHFFFAOYSA-N 0 1 298.434 3.561 20 0 CHADMN Cc1cc(C)c(/C=C\CN[C@H]2CCn3ccnc32)cc1C ZINC000865582423 1123997490 /nfs/dbraw/zinc/99/74/90/1123997490.db2.gz IZCQDUZJJPAIHW-CHYADLBTSA-N 0 1 281.403 3.556 20 0 CHADMN CC(C)(F)CCNCc1c(Cl)cncc1Cl ZINC000865626307 1124000588 /nfs/dbraw/zinc/00/05/88/1124000588.db2.gz NBFOXRFXHLXJEP-UHFFFAOYSA-N 0 1 265.159 3.616 20 0 CHADMN CCOc1cc(F)cc(CN[C@H](C)c2ccns2)c1 ZINC000865644951 1124002198 /nfs/dbraw/zinc/00/21/98/1124002198.db2.gz KQUXUIXKNGKVEE-SNVBAGLBSA-N 0 1 280.368 3.532 20 0 CHADMN F[C@@H]1CCCC[C@@H]1NCc1cc2cc(Cl)cnc2o1 ZINC000865696637 1124004608 /nfs/dbraw/zinc/00/46/08/1124004608.db2.gz IOPBIHVGQISKPM-OLZOCXBDSA-N 0 1 282.746 3.852 20 0 CHADMN CC(C)(C)c1nc(CNC(C)(C)[C@H]2CCCCO2)cs1 ZINC000865744744 1124009994 /nfs/dbraw/zinc/00/99/94/1124009994.db2.gz BITUBOWEFOUAAQ-CYBMUJFWSA-N 0 1 296.480 3.878 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCN1c1ccncc1C(F)(F)F ZINC000865740185 1124010036 /nfs/dbraw/zinc/01/00/36/1124010036.db2.gz ADFGFJMDAXBVHK-YUMQZZPRSA-N 0 1 298.230 3.878 20 0 CHADMN COc1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])ccc1C ZINC000237297435 1124010272 /nfs/dbraw/zinc/01/02/72/1124010272.db2.gz QIOKWRNLJJIWCI-UHFFFAOYSA-N 0 1 291.778 3.652 20 0 CHADMN CC(C)(C)c1ccc(CNCc2ccc3c[nH]nc3c2)o1 ZINC000865815169 1124016161 /nfs/dbraw/zinc/01/61/61/1124016161.db2.gz VUAHAYLNZYEYRB-UHFFFAOYSA-N 0 1 283.375 3.743 20 0 CHADMN COc1ccccc1[C@H](C)NCc1cnc2c(C)cccn12 ZINC000865821657 1124017703 /nfs/dbraw/zinc/01/77/03/1124017703.db2.gz LSHRXYRXIBYILR-AWEZNQCLSA-N 0 1 295.386 3.502 20 0 CHADMN CCc1cccc2cc(CN[C@H](C)c3ccnn3C)oc21 ZINC000865838046 1124019340 /nfs/dbraw/zinc/01/93/40/1124019340.db2.gz OXACPZUGGSSZBE-GFCCVEGCSA-N 0 1 283.375 3.580 20 0 CHADMN CCC(F)(F)c1ccccc1NCc1[nH]ncc1C ZINC000865840889 1124020595 /nfs/dbraw/zinc/02/05/95/1124020595.db2.gz OPLKTLVBDOBUHM-UHFFFAOYSA-N 0 1 265.307 3.832 20 0 CHADMN CC[C@@H](C)CONC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000794877012 1124025877 /nfs/dbraw/zinc/02/58/77/1124025877.db2.gz YVAAQLAJMLBRLO-BDAKNGLRSA-N 0 1 275.801 3.599 20 0 CHADMN Cc1ccc(CNC[C@@H](O)c2cc3ccccc3s2)o1 ZINC000305053446 1124026761 /nfs/dbraw/zinc/02/67/61/1124026761.db2.gz NNYCGDBMRDSITN-CQSZACIVSA-N 0 1 287.384 3.626 20 0 CHADMN Cc1ccc(CNC[C@H](O)c2cc3ccccc3s2)o1 ZINC000305053445 1124027099 /nfs/dbraw/zinc/02/70/99/1124027099.db2.gz NNYCGDBMRDSITN-AWEZNQCLSA-N 0 1 287.384 3.626 20 0 CHADMN COc1cc2c(cc1Cl)CN(CCCCCF)CC2 ZINC000582255476 1124034525 /nfs/dbraw/zinc/03/45/25/1124034525.db2.gz XVHYEEFLFGFXDG-UHFFFAOYSA-N 0 1 285.790 3.847 20 0 CHADMN Cc1cc(CN[C@H](C)CCc2cncc3ccccc32)no1 ZINC000866243706 1124041974 /nfs/dbraw/zinc/04/19/74/1124041974.db2.gz WZSQKJAFVXGEFN-CYBMUJFWSA-N 0 1 295.386 3.642 20 0 CHADMN CC(C)CN(Cc1n[nH]c(C(C)C)n1)c1ccccc1 ZINC000428371441 1124043636 /nfs/dbraw/zinc/04/36/36/1124043636.db2.gz FFPFPXDCTVHODB-UHFFFAOYSA-N 0 1 272.396 3.591 20 0 CHADMN CN(Cc1nc(C2CCCCC2)cs1)C[C@H]1CCOC1 ZINC000444649033 1124047635 /nfs/dbraw/zinc/04/76/35/1124047635.db2.gz KPEMUEJNOUVBPY-CYBMUJFWSA-N 0 1 294.464 3.659 20 0 CHADMN CCC1CCC(N(C)Cc2nncn2-c2ccccc2)CC1 ZINC000444646432 1124048008 /nfs/dbraw/zinc/04/80/08/1124048008.db2.gz ZDGRLHXJPUIZAX-UHFFFAOYSA-N 0 1 298.434 3.668 20 0 CHADMN CCN(Cc1nc(CC(C)C)no1)[C@H]1CCCC[C@H]1C ZINC000444661654 1124049349 /nfs/dbraw/zinc/04/93/49/1124049349.db2.gz LXRYDWAJLTZYHH-KGLIPLIRSA-N 0 1 279.428 3.669 20 0 CHADMN CCC(C)(C)[C@H]1CCCN1Cc1nncn1-c1ccccc1 ZINC000444660325 1124049983 /nfs/dbraw/zinc/04/99/83/1124049983.db2.gz JRKMGGNSWNUEDY-MRXNPFEDSA-N 0 1 298.434 3.668 20 0 CHADMN Cc1nc(CN(C)CC2(c3ccccc3)CC2)c(C)s1 ZINC000444683228 1124053504 /nfs/dbraw/zinc/05/35/04/1124053504.db2.gz FCSFABFGNBQNKZ-UHFFFAOYSA-N 0 1 286.444 3.924 20 0 CHADMN Cc1cc(Cl)nc(CN[C@H]2CCCc3ncccc32)c1 ZINC000866352050 1124056782 /nfs/dbraw/zinc/05/67/82/1124056782.db2.gz GIHROMOMYAVPGO-HNNXBMFYSA-N 0 1 287.794 3.606 20 0 CHADMN CCn1ccnc1CN[C@H]1CCc2cccc3cccc1c32 ZINC000866363050 1124057846 /nfs/dbraw/zinc/05/78/46/1124057846.db2.gz FVUSUOYUEFYQJA-KRWDZBQOSA-N 0 1 291.398 3.833 20 0 CHADMN CC(C)[C@H]1CCCN([C@@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000444746094 1124058811 /nfs/dbraw/zinc/05/88/11/1124058811.db2.gz CHXGSLLTXIKGDH-HOTGVXAUSA-N 0 1 298.434 3.696 20 0 CHADMN CCCc1ccc(CNCc2cn3ccccc3n2)s1 ZINC000621326863 1129163434 /nfs/dbraw/zinc/16/34/34/1129163434.db2.gz WVQBJJKMAZTSJM-UHFFFAOYSA-N 0 1 285.416 3.638 20 0 CHADMN C[C@@H](N[C@H]1CCc2cccc3cccc1c32)c1ccn(C)n1 ZINC000866372509 1124059186 /nfs/dbraw/zinc/05/91/86/1124059186.db2.gz HSZMQPAVHSIEOW-ACJLOTCBSA-N 0 1 291.398 3.911 20 0 CHADMN CCn1ccc(CN[C@@H]2CCc3cccc4cccc2c43)n1 ZINC000866373923 1124059669 /nfs/dbraw/zinc/05/96/69/1124059669.db2.gz XRUVWHNMFZMMJO-GOSISDBHSA-N 0 1 291.398 3.833 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2ncc(C(C)(C)C)o2)C1 ZINC000444752785 1124060234 /nfs/dbraw/zinc/06/02/34/1124060234.db2.gz WDXXWTDPJPGXAY-CYBMUJFWSA-N 0 1 264.413 3.840 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2cc(-c3ccco3)on2)C1 ZINC000444766239 1124060931 /nfs/dbraw/zinc/06/09/31/1124060931.db2.gz GVRWWZZQGMHBEE-CYBMUJFWSA-N 0 1 274.364 3.803 20 0 CHADMN CCC[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1cc(C)ccn1 ZINC000866388935 1124061282 /nfs/dbraw/zinc/06/12/82/1124061282.db2.gz GZMHNNRDWYJCAL-JENIJYKNSA-N 0 1 296.414 3.999 20 0 CHADMN CCCc1ccc(CNc2cnn(-c3ccncc3)c2)s1 ZINC000621333974 1129163926 /nfs/dbraw/zinc/16/39/26/1129163926.db2.gz ZNZZTJFUXNBPFN-UHFFFAOYSA-N 0 1 298.415 3.893 20 0 CHADMN C[C@@H](NCC(C)(C)F)c1cc2c(ccnc2Cl)o1 ZINC000866409600 1124064516 /nfs/dbraw/zinc/06/45/16/1124064516.db2.gz OMWCQPKMWKOXFD-MRVPVSSYSA-N 0 1 270.735 3.880 20 0 CHADMN CCC(CC)n1ccc(CN2CCCC23CCC3)n1 ZINC000444793825 1124065714 /nfs/dbraw/zinc/06/57/14/1124065714.db2.gz TXNCNAZIXVRINS-UHFFFAOYSA-N 0 1 261.413 3.763 20 0 CHADMN C[C@H]1C[C@H](NCc2ccnc(F)c2)c2ccsc2S1 ZINC000866472946 1124069279 /nfs/dbraw/zinc/06/92/79/1124069279.db2.gz HNTPJBCGMRXYKR-CABZTGNLSA-N 0 1 294.420 3.997 20 0 CHADMN Cc1ccc(C)c(CNc2nccn2CC(C)C)c1 ZINC000508516433 1124072345 /nfs/dbraw/zinc/07/23/45/1124072345.db2.gz NDYZRRYGODUTFY-UHFFFAOYSA-N 0 1 257.381 3.768 20 0 CHADMN Cc1[nH]ncc1[C@@H](C)Nc1ccc(F)c(C(F)F)c1 ZINC000866507174 1124074055 /nfs/dbraw/zinc/07/40/55/1124074055.db2.gz AJSBTLKWNGBMIG-SSDOTTSWSA-N 0 1 269.270 3.968 20 0 CHADMN CC(C)[C@@H](C)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000475623936 1124074952 /nfs/dbraw/zinc/07/49/52/1124074952.db2.gz ITYSUSVHSLTQJN-SKDRFNHKSA-N 0 1 276.207 3.661 20 0 CHADMN Fc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1C(F)F ZINC000866509044 1124075319 /nfs/dbraw/zinc/07/53/19/1124075319.db2.gz UNEDAVGNHRNPAH-GFCCVEGCSA-N 0 1 281.281 3.976 20 0 CHADMN CC(C)CCN1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000355365734 1124079496 /nfs/dbraw/zinc/07/94/96/1124079496.db2.gz NKCICRSGVOQEDB-UHFFFAOYSA-N 0 1 260.356 3.711 20 0 CHADMN Cc1ccccc1C[C@@H](C)N(C)Cc1nccs1 ZINC000445350783 1124081480 /nfs/dbraw/zinc/08/14/80/1124081480.db2.gz ICRNHPGQJIVEBF-CYBMUJFWSA-N 0 1 260.406 3.515 20 0 CHADMN Cc1csc([C@H](C)N[C@@H]2CC=CC[C@H]2C(F)(F)F)n1 ZINC000866608622 1124087834 /nfs/dbraw/zinc/08/78/34/1124087834.db2.gz HFOWBTUNSUZREB-HBNTYKKESA-N 0 1 290.354 3.999 20 0 CHADMN CSc1ccc([C@@H](C)N[C@@H](C)c2ccnn2C)cc1F ZINC000866612716 1124088143 /nfs/dbraw/zinc/08/81/43/1124088143.db2.gz MPHCLJBHZQXQQG-MNOVXSKESA-N 0 1 293.411 3.693 20 0 CHADMN COCCN(C/C(C)=C/c1ccccc1)Cc1ccco1 ZINC000508532864 1124088380 /nfs/dbraw/zinc/08/83/80/1124088380.db2.gz WDGWOQAKSSBVDX-DTQAZKPQSA-N 0 1 285.387 3.832 20 0 CHADMN Cc1nc(C(C)C)sc1[C@H](C)N[C@H](C)c1ccnn1C ZINC000866612139 1124088752 /nfs/dbraw/zinc/08/87/52/1124088752.db2.gz CQVFMQVLTYQMRU-MNOVXSKESA-N 0 1 292.452 3.720 20 0 CHADMN C[C@H](N[C@@H](C)c1cncs1)c1cc2cnccc2o1 ZINC000866619077 1124090345 /nfs/dbraw/zinc/09/03/45/1124090345.db2.gz CSQYDHHJILBSDK-UWVGGRQHSA-N 0 1 273.361 3.696 20 0 CHADMN C[N@@H+](Cc1ccccn1)[C@@H]1CCc2ccc(Cl)cc21 ZINC000445577445 1124092618 /nfs/dbraw/zinc/09/26/18/1124092618.db2.gz QVARZMKHFITLIX-MRXNPFEDSA-N 0 1 272.779 3.854 20 0 CHADMN CN(Cc1ccccn1)[C@@H]1CCc2ccc(Cl)cc21 ZINC000445577445 1124092620 /nfs/dbraw/zinc/09/26/20/1124092620.db2.gz QVARZMKHFITLIX-MRXNPFEDSA-N 0 1 272.779 3.854 20 0 CHADMN CCOc1cncc(CNCc2c(C)oc3ccccc32)c1 ZINC000621344886 1129166205 /nfs/dbraw/zinc/16/62/05/1129166205.db2.gz WQVRHFOVSJVTRE-UHFFFAOYSA-N 0 1 296.370 3.825 20 0 CHADMN Fc1ccc(Cl)c(CN2CCCC3(CC3)C2)c1 ZINC000445795092 1124100893 /nfs/dbraw/zinc/10/08/93/1124100893.db2.gz SIZPZBZYZHQRAN-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN Cc1ccc(NC(=O)CN2CCCC3(CCCC3)C2)cc1 ZINC000445839877 1124102797 /nfs/dbraw/zinc/10/27/97/1124102797.db2.gz FFICEIKVVRZYDS-UHFFFAOYSA-N 0 1 286.419 3.590 20 0 CHADMN COC(=O)[C@@H](c1ccccc1)N1CCCC2(CCCC2)C1 ZINC000445839517 1124103400 /nfs/dbraw/zinc/10/34/00/1124103400.db2.gz BZPXVAJZLNTGDF-MRXNPFEDSA-N 0 1 287.403 3.557 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNCc2ccc3nccnc3c2)o1 ZINC000634954075 1129166356 /nfs/dbraw/zinc/16/63/56/1129166356.db2.gz SBXVHZXCMMZOGN-WFASDCNBSA-N 0 1 293.370 3.636 20 0 CHADMN CC(=CC(=O)NCc1ccccc1-c1ncc[nH]1)C(C)(C)C ZINC000909629823 1124104893 /nfs/dbraw/zinc/10/48/93/1124104893.db2.gz WNKMVMDAZCPZMI-ACCUITESSA-N 0 1 297.402 3.685 20 0 CHADMN C[C@H](NCC(F)F)C1CCC(C(F)(F)F)CC1 ZINC000459537876 1124107584 /nfs/dbraw/zinc/10/75/84/1124107584.db2.gz ARAFIQKGAHZTRW-UEJVZZJDSA-N 0 1 259.262 3.598 20 0 CHADMN Cc1cc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)c2ccccc2n1 ZINC000446071156 1124109497 /nfs/dbraw/zinc/10/94/97/1124109497.db2.gz PAUYAZAXFAYRQR-KKUMJFAQSA-N 0 1 284.403 3.541 20 0 CHADMN Cc1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000446149615 1124110067 /nfs/dbraw/zinc/11/00/67/1124110067.db2.gz NGWGHTCHMCBUBA-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@]2(C)Cc2ccccc2)[nH]1 ZINC000428434835 1124110627 /nfs/dbraw/zinc/11/06/27/1124110627.db2.gz XIMPBXUZFRUILV-GOSISDBHSA-N 0 1 298.434 3.525 20 0 CHADMN CC(C)[C@@H]1CCN(Cc2cc(-c3cccs3)on2)C1 ZINC000446732966 1124119343 /nfs/dbraw/zinc/11/93/43/1124119343.db2.gz YAGUFYAXDAVREJ-GFCCVEGCSA-N 0 1 276.405 3.881 20 0 CHADMN CCCCc1noc([C@H](C)N2CCC(CC)(CC)C2)n1 ZINC000446726185 1124120403 /nfs/dbraw/zinc/12/04/03/1124120403.db2.gz NHXOOCPYJJJGQT-ZDUSSCGKSA-N 0 1 279.428 3.985 20 0 CHADMN CCC1(CC)CCN([C@H](C)c2nc(C(C)C)no2)C1 ZINC000446735442 1124121566 /nfs/dbraw/zinc/12/15/66/1124121566.db2.gz ONKKROXIZCMUTG-GFCCVEGCSA-N 0 1 265.401 3.766 20 0 CHADMN Cc1[nH]ncc1CN1C[C@@H](C(C)(C)C)c2ccccc21 ZINC000446834496 1124124632 /nfs/dbraw/zinc/12/46/32/1124124632.db2.gz KGXAUJVUNUSDDG-OAHLLOKOSA-N 0 1 269.392 3.868 20 0 CHADMN CC(C)c1nc(CN(C)c2cccc3ccccc32)n[nH]1 ZINC000428454192 1124125142 /nfs/dbraw/zinc/12/51/42/1124125142.db2.gz CPHAFOQJCIHXIN-UHFFFAOYSA-N 0 1 280.375 3.718 20 0 CHADMN Cc1[nH]ncc1CN1C[C@@H](c2ccccc2)c2ccccc21 ZINC000446845033 1124125673 /nfs/dbraw/zinc/12/56/73/1124125673.db2.gz XJXVBDPECFLTAL-SFHVURJKSA-N 0 1 289.382 3.870 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2csc(-c3ccoc3)n2)C1 ZINC000525410353 1124127296 /nfs/dbraw/zinc/12/72/96/1124127296.db2.gz FOPDAKBJQOTDQT-GHMZBOCLSA-N 0 1 262.378 3.633 20 0 CHADMN CC(C)[C@@H]1CN(C(=O)c2ccc(F)cc2O)c2ccccc21 ZINC000446918551 1124128196 /nfs/dbraw/zinc/12/81/96/1124128196.db2.gz NULGWZIIUKAFLL-HNNXBMFYSA-N 0 1 299.345 3.931 20 0 CHADMN CC[C@@H](NCc1ccc(F)cn1)c1cccc(F)c1 ZINC000446931182 1124128642 /nfs/dbraw/zinc/12/86/42/1124128642.db2.gz POOHWTVIKMEYTM-OAHLLOKOSA-N 0 1 262.303 3.601 20 0 CHADMN Cc1cc(CN(Cc2cccc(Cl)c2)C(C)C)ncn1 ZINC000428461719 1124129380 /nfs/dbraw/zinc/12/93/80/1124129380.db2.gz JKVABCUQPDNGNB-UHFFFAOYSA-N 0 1 289.810 3.849 20 0 CHADMN CCN(Cc1ccn(C(F)F)n1)[C@H](C)Cc1ccsc1 ZINC000428469656 1124133064 /nfs/dbraw/zinc/13/30/64/1124133064.db2.gz KXBDRFFPYPRAML-LLVKDONJSA-N 0 1 299.390 3.793 20 0 CHADMN CC(C)(C)c1cc(CN2CCC[C@@H]3CCC[C@@H]32)no1 ZINC000429697264 1124133676 /nfs/dbraw/zinc/13/36/76/1124133676.db2.gz TWEVFDZZTMLVJR-JSGCOSHPSA-N 0 1 262.397 3.737 20 0 CHADMN CC(C)(C)c1cc(CN2CCC[C@H]3CCC[C@H]32)no1 ZINC000429697269 1124134008 /nfs/dbraw/zinc/13/40/08/1124134008.db2.gz TWEVFDZZTMLVJR-TZMCWYRMSA-N 0 1 262.397 3.737 20 0 CHADMN CCOc1cncc(CN[C@@H](CC)c2ccccc2F)c1 ZINC000621368289 1129168103 /nfs/dbraw/zinc/16/81/03/1129168103.db2.gz QMSZGMMZAHCENH-KRWDZBQOSA-N 0 1 288.366 3.860 20 0 CHADMN Clc1cncc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000621321854 1129168157 /nfs/dbraw/zinc/16/81/57/1129168157.db2.gz AWEFDCDMCJIYAU-HOCLYGCPSA-N 0 1 294.826 3.516 20 0 CHADMN COc1ccc(F)c(CNCc2cccc3c2CCC3)c1 ZINC000621375954 1129168856 /nfs/dbraw/zinc/16/88/56/1129168856.db2.gz LDNMBLKIBMQKRZ-UHFFFAOYSA-N 0 1 285.362 3.613 20 0 CHADMN CCCc1ccc(CNCc2c(C)onc2CC)s1 ZINC000621357367 1129171300 /nfs/dbraw/zinc/17/13/00/1129171300.db2.gz MAHJLPFDXYCBIT-UHFFFAOYSA-N 0 1 278.421 3.849 20 0 CHADMN C[C@H]1c2ccccc2C[N@@H+]1CCc1noc2ccccc21 ZINC000621400709 1129172913 /nfs/dbraw/zinc/17/29/13/1129172913.db2.gz PMTFZZJXZKIFJR-ZDUSSCGKSA-N 0 1 278.355 3.947 20 0 CHADMN C[C@@H](c1ccccc1)[C@H](O)C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000621399863 1129173122 /nfs/dbraw/zinc/17/31/22/1129173122.db2.gz NCZCVJALJALHSZ-YZVOILCLSA-N 0 1 281.399 3.728 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@](C)(CF)C2)c1Cl ZINC001238775656 1131245270 /nfs/dbraw/zinc/24/52/70/1131245270.db2.gz CKTNCIJJVUOFRK-CQSZACIVSA-N 0 1 273.754 3.969 20 0 CHADMN Cc1cc(F)cc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c1Cl ZINC001238779979 1131246895 /nfs/dbraw/zinc/24/68/95/1131246895.db2.gz BVJDMTUTPKULLQ-XDTLVQLUSA-N 0 1 271.738 3.720 20 0 CHADMN COc1cc(F)c(CN(C)C2CC(C)C2)cc1Cl ZINC001238786665 1131247511 /nfs/dbraw/zinc/24/75/11/1131247511.db2.gz AOXVLJNQXYFIBH-UHFFFAOYSA-N 0 1 271.763 3.718 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CC[C@@H](OC(C)C)C1 ZINC001238786849 1131248216 /nfs/dbraw/zinc/24/82/16/1131248216.db2.gz HDJGTDZKYDXZQY-CYBMUJFWSA-N 0 1 285.790 3.787 20 0 CHADMN CC=C(CC)C(=O)Nc1ccccc1Nc1ccncc1 ZINC000819580614 1131255360 /nfs/dbraw/zinc/25/53/60/1131255360.db2.gz ODPVDQMJQRTSDP-DXNYSGJVSA-N 0 1 281.359 3.542 20 0 CHADMN CO[C@@H]1CN(Cc2ccc(C)cc2Cl)CC[C@@H]1C ZINC000447273363 1124458350 /nfs/dbraw/zinc/45/83/50/1124458350.db2.gz UZLUCYXQELBBHI-SWLSCSKDSA-N 0 1 267.800 3.505 20 0 CHADMN CC(C)c1nsc(CN[C@H](C)[C@@H](C)c2ccccc2)n1 ZINC001119698098 1131261643 /nfs/dbraw/zinc/26/16/43/1131261643.db2.gz JHSHIAKHBNVZHE-CHWSQXEVSA-N 0 1 289.448 3.943 20 0 CHADMN CCc1ccccc1CN1CCn2cccc2[C@H]1C ZINC000525833552 1124469509 /nfs/dbraw/zinc/46/95/09/1124469509.db2.gz QODSVVCKTHWZAY-CQSZACIVSA-N 0 1 254.377 3.627 20 0 CHADMN CC1(C)CCCC[C@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000447496218 1124479406 /nfs/dbraw/zinc/47/94/06/1124479406.db2.gz DZXDYSYWBZUXIT-LBPRGKRZSA-N 0 1 271.364 3.718 20 0 CHADMN CC1(C)CCCC[C@@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000447496217 1124479999 /nfs/dbraw/zinc/47/99/99/1124479999.db2.gz DZXDYSYWBZUXIT-GFCCVEGCSA-N 0 1 271.364 3.718 20 0 CHADMN COC(=O)c1coc([C@H](C)N[C@@H]2c3ccccc3C[C@H]2C)c1 ZINC000447572943 1124487961 /nfs/dbraw/zinc/48/79/61/1124487961.db2.gz FFANTNOIUXZUBB-PEBVRCNWSA-N 0 1 299.370 3.650 20 0 CHADMN CC(C)c1nc([C@@H](C)NCc2ccc(C(F)F)cc2)n[nH]1 ZINC000525991384 1124492308 /nfs/dbraw/zinc/49/23/08/1124492308.db2.gz BLZAQAVXAIYTSP-SNVBAGLBSA-N 0 1 294.349 3.717 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2NC1(c2ccc3c(c2)OCO3)CC1 ZINC000447608859 1124499543 /nfs/dbraw/zinc/49/95/43/1124499543.db2.gz WUXZBWUKJASHLA-AWEZNQCLSA-N 0 1 297.354 3.665 20 0 CHADMN C[C@@H](C[NH2+]Cc1c(F)ccc([O-])c1F)c1ccccc1 ZINC000509657210 1124501471 /nfs/dbraw/zinc/50/14/71/1124501471.db2.gz ZYULUBVMCBQWAE-NSHDSACASA-N 0 1 277.314 3.564 20 0 CHADMN COc1cc(CN(C)Cc2cc(Cl)cn2C)ccc1C ZINC000447726779 1124511359 /nfs/dbraw/zinc/51/13/59/1124511359.db2.gz ICLQFOBMGCGTTK-UHFFFAOYSA-N 0 1 292.810 3.628 20 0 CHADMN Cc1ccsc1CCN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000526116877 1124512302 /nfs/dbraw/zinc/51/23/02/1124512302.db2.gz PBYXWNRHKKHTSA-INIZCTEOSA-N 0 1 297.427 3.701 20 0 CHADMN CC(C)(C)SCCNc1cc[nH+]c2c([O-])cccc12 ZINC000795084834 1124515657 /nfs/dbraw/zinc/51/56/57/1124515657.db2.gz HODPPZYIUUJOFG-UHFFFAOYSA-N 0 1 276.405 3.884 20 0 CHADMN C=Cn1cc(CN(CC)[C@@H](C)c2ccc(F)cc2)cn1 ZINC000447744164 1124520472 /nfs/dbraw/zinc/52/04/72/1124520472.db2.gz JNWABYFSILJVHI-ZDUSSCGKSA-N 0 1 273.355 3.706 20 0 CHADMN C=Cn1cc(CN(CC)Cc2ccc(Cl)cc2)cn1 ZINC000447797670 1124524963 /nfs/dbraw/zinc/52/49/63/1124524963.db2.gz MJXDXBLOWBUOBL-UHFFFAOYSA-N 0 1 275.783 3.659 20 0 CHADMN Cc1ccsc1CNCc1nc(-c2ccccc2)c[nH]1 ZINC000447847721 1124530374 /nfs/dbraw/zinc/53/03/74/1124530374.db2.gz HJDZNINFCQDNBT-UHFFFAOYSA-N 0 1 283.400 3.736 20 0 CHADMN CC(C)n1nccc1CN(C)[C@@H]1CCCc2ccccc21 ZINC000526969417 1124533258 /nfs/dbraw/zinc/53/32/58/1124533258.db2.gz QTTAFQUNJTWMCD-GOSISDBHSA-N 0 1 283.419 3.973 20 0 CHADMN CC(C)(C)[C@H]1CN(CCSc2ccccc2)CCO1 ZINC000447836386 1124533825 /nfs/dbraw/zinc/53/38/25/1124533825.db2.gz QDEOEBJIGMGGOM-OAHLLOKOSA-N 0 1 279.449 3.526 20 0 CHADMN FC1(CN2CCC[C@H](c3nc4ccccc4s3)C2)CC1 ZINC000526969874 1124534250 /nfs/dbraw/zinc/53/42/50/1124534250.db2.gz GULWCIZWRJBEJE-LBPRGKRZSA-N 0 1 290.407 3.978 20 0 CHADMN Cc1cc(C)cc(-c2nc(-c3ccn4cncc4c3)no2)c1 ZINC000447956162 1124548325 /nfs/dbraw/zinc/54/83/25/1124548325.db2.gz TWRYZMUHETUZFR-UHFFFAOYSA-N 0 1 290.326 3.668 20 0 CHADMN CC(C)c1ocnc1CN1CCCSC[C@@H]1C1CC1 ZINC001119955747 1131268182 /nfs/dbraw/zinc/26/81/82/1131268182.db2.gz AWVGYCXQNAGZFL-CQSZACIVSA-N 0 1 280.437 3.516 20 0 CHADMN C[N@H+](C/C=C\c1ccc(Cl)cc1)CCOCC1CC1 ZINC000527297844 1124566671 /nfs/dbraw/zinc/56/66/71/1124566671.db2.gz RTMQCLUBMGZAHJ-IHWYPQMZSA-N 0 1 279.811 3.712 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc(C(F)F)cc1 ZINC000527526465 1124578128 /nfs/dbraw/zinc/57/81/28/1124578128.db2.gz SMLOQRFSKJEURQ-UHFFFAOYSA-N 0 1 262.303 3.651 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CC[C@H](CC(C)(C)C)C1 ZINC000448555016 1124586606 /nfs/dbraw/zinc/58/66/06/1124586606.db2.gz PFTDUSHNRLKAGU-NWDGAFQWSA-N 0 1 277.412 3.766 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@]3(C)CCC[C@@H]3C)cc2[nH]1 ZINC000448625364 1124600157 /nfs/dbraw/zinc/60/01/57/1124600157.db2.gz NESCMXBQANYJMM-QFYYESIMSA-N 0 1 271.364 3.636 20 0 CHADMN O=C(Nc1ccc(F)c(C(F)F)c1)c1cn[nH]c1C1CC1 ZINC000871274718 1124609175 /nfs/dbraw/zinc/60/91/75/1124609175.db2.gz SSELKKSZEKJOAY-UHFFFAOYSA-N 0 1 295.264 3.616 20 0 CHADMN COc1cccc(F)c1CN[C@@H]1CCc2ccccc21 ZINC001120244344 1131272593 /nfs/dbraw/zinc/27/25/93/1131272593.db2.gz PVPHWUSQVNINBL-MRXNPFEDSA-N 0 1 271.335 3.611 20 0 CHADMN COc1ccccc1CN(C)Cc1csc(C)c1 ZINC000449004342 1124631458 /nfs/dbraw/zinc/63/14/58/1124631458.db2.gz XLONMSXWVJOSHE-UHFFFAOYSA-N 0 1 261.390 3.697 20 0 CHADMN COc1cccc2c(CN3CCOCC34CCC4)cccc12 ZINC000449030117 1124634907 /nfs/dbraw/zinc/63/49/07/1124634907.db2.gz QPVXYAYYSDZUND-UHFFFAOYSA-N 0 1 297.398 3.603 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1ccnn1C1CCCC1 ZINC000449025329 1124639641 /nfs/dbraw/zinc/63/96/41/1124639641.db2.gz BKTLVHCUQTZNEJ-CYBMUJFWSA-N 0 1 281.469 3.572 20 0 CHADMN COc1cc(F)cc(CN(C)[C@H](C)c2cccc(O)c2)c1 ZINC000449024323 1124639572 /nfs/dbraw/zinc/63/95/72/1124639572.db2.gz AFZUXHWPWZTTQP-GFCCVEGCSA-N 0 1 289.350 3.733 20 0 CHADMN C[C@H]1CN(Cc2ccncc2F)CC[C@@H]1c1ccccc1 ZINC000449025388 1124639581 /nfs/dbraw/zinc/63/95/81/1124639581.db2.gz BIPGRHXKLOPHFM-YOEHRIQHSA-N 0 1 284.378 3.846 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccncc2F)cc1C ZINC000449106433 1124648232 /nfs/dbraw/zinc/64/82/32/1124648232.db2.gz LZTKQRYYCKBBSQ-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1nn(C(C)C)cc1CNc1ccc2c(n1)CCCC2 ZINC000871864879 1124648847 /nfs/dbraw/zinc/64/88/47/1124648847.db2.gz NSBSBLIHPXYMIU-UHFFFAOYSA-N 0 1 284.407 3.658 20 0 CHADMN C[C@@H](CN(C)Cc1ncccc1Cl)c1ccccc1 ZINC000528369731 1124650428 /nfs/dbraw/zinc/65/04/28/1124650428.db2.gz UVFBHXGHBQMEAH-ZDUSSCGKSA-N 0 1 274.795 3.971 20 0 CHADMN C[C@H](CN(C)Cc1ncccc1Cl)c1ccccc1 ZINC000528369730 1124650496 /nfs/dbraw/zinc/65/04/96/1124650496.db2.gz UVFBHXGHBQMEAH-CYBMUJFWSA-N 0 1 274.795 3.971 20 0 CHADMN CC(C)COc1ccccc1CNCc1cccc(CO)c1 ZINC000449124562 1124651537 /nfs/dbraw/zinc/65/15/37/1124651537.db2.gz GUXYXPYBUMBUEH-UHFFFAOYSA-N 0 1 299.414 3.504 20 0 CHADMN Cc1cnc(CNCC2(Sc3ccccc3)CC2)s1 ZINC000449123150 1124651547 /nfs/dbraw/zinc/65/15/47/1124651547.db2.gz MVKBTNCIZNVZPE-UHFFFAOYSA-N 0 1 290.457 3.866 20 0 CHADMN C[C@@H](CC(F)(F)F)N[C@@H](C)c1cc(O)ccc1F ZINC000872062058 1124671021 /nfs/dbraw/zinc/67/10/21/1124671021.db2.gz CIZNBARPWFBNCM-YUMQZZPRSA-N 0 1 265.250 3.523 20 0 CHADMN O=C1[C@H]2CCCCCCC2=NN1c1nc(F)ccc1Cl ZINC000871959021 1124654646 /nfs/dbraw/zinc/65/46/46/1124654646.db2.gz MDTBGOAPSDRURI-VIFPVBQESA-N 0 1 295.745 3.547 20 0 CHADMN CC(C)[C@@H]1CCc2[nH]n(-c3ccc(Cl)nc3)c(=O)c2C1 ZINC000871955349 1124654658 /nfs/dbraw/zinc/65/46/58/1124654658.db2.gz YHBJJAKKLJPDCZ-ZYHUDNBSSA-N 0 1 291.782 3.510 20 0 CHADMN Clc1ccc([C@H]2CC[C@H](NCc3cocn3)C2)cc1 ZINC000449159332 1124657545 /nfs/dbraw/zinc/65/75/45/1124657545.db2.gz ZISCDYXOXNRCHU-JSGCOSHPSA-N 0 1 276.767 3.754 20 0 CHADMN Cc1cccc(CN[C@H](C)c2cc(O)ccc2F)c1 ZINC000872018726 1124657627 /nfs/dbraw/zinc/65/76/27/1124657627.db2.gz PLQCZTHBNNSUIS-GFCCVEGCSA-N 0 1 259.324 3.691 20 0 CHADMN Cc1ccccc1CN[C@H](C)c1cccc(O)c1F ZINC000872019501 1124658073 /nfs/dbraw/zinc/65/80/73/1124658073.db2.gz YTQFWCCXVKNNBW-GFCCVEGCSA-N 0 1 259.324 3.691 20 0 CHADMN Cc1cccc(C(C)(C)NCc2ccncc2F)c1 ZINC000449162330 1124661524 /nfs/dbraw/zinc/66/15/24/1124661524.db2.gz RHSOUNQSEFLHAS-UHFFFAOYSA-N 0 1 258.340 3.554 20 0 CHADMN C[N@H+](Cc1nc2ccccc2o1)CC1CC(C)(C)C1 ZINC000528423694 1124662612 /nfs/dbraw/zinc/66/26/12/1124662612.db2.gz HEGRJTWRBJLKFZ-UHFFFAOYSA-N 0 1 258.365 3.696 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](CCCO)c1ccccc1 ZINC000449164180 1124662707 /nfs/dbraw/zinc/66/27/07/1124662707.db2.gz YLZSDIKBVRKWIS-SFHVURJKSA-N 0 1 299.414 3.607 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@H](C)c1cccc(O)c1F ZINC000872062462 1124670969 /nfs/dbraw/zinc/67/09/69/1124670969.db2.gz HJHKXMFOTYNCJI-HTQZYQBOSA-N 0 1 265.250 3.523 20 0 CHADMN C[C@H](NC[C@]1(C)CC1(Cl)Cl)c1cc(O)ccc1F ZINC000872076915 1124676682 /nfs/dbraw/zinc/67/66/82/1124676682.db2.gz VKDLWHBREAEPST-UFBFGSQYSA-N 0 1 292.181 3.766 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nc(C(C)(C)C)no1)C1CCCC1 ZINC000449279759 1124683341 /nfs/dbraw/zinc/68/33/41/1124683341.db2.gz SRUYYJWNYANWDJ-WCQYABFASA-N 0 1 279.428 3.987 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@@H]2CC(C)(C)CO2)cs1 ZINC000872105978 1124684217 /nfs/dbraw/zinc/68/42/17/1124684217.db2.gz NXUOKLZXZDRARB-NEPJUHHUSA-N 0 1 282.453 3.732 20 0 CHADMN c1c[nH]c([C@@H](NCCC[C@@H]2C=CCC2)c2ccccc2)n1 ZINC000872107122 1124685111 /nfs/dbraw/zinc/68/51/11/1124685111.db2.gz KGUZUEOENDYREM-WBVHZDCISA-N 0 1 281.403 3.835 20 0 CHADMN Cc1nc([C@@H](C)NCC2(OC(C)C)CCC2)c(C)s1 ZINC000872117578 1124688505 /nfs/dbraw/zinc/68/85/05/1124688505.db2.gz SQXIHAOTVOALBB-LLVKDONJSA-N 0 1 282.453 3.758 20 0 CHADMN CN(C)c1ccccc1CN(C)Cc1cc2cccnc2o1 ZINC000449327418 1124689949 /nfs/dbraw/zinc/68/99/49/1124689949.db2.gz DGJUNRPIYDVXAR-UHFFFAOYSA-N 0 1 295.386 3.526 20 0 CHADMN COc1cc(F)cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000449332395 1124690605 /nfs/dbraw/zinc/69/06/05/1124690605.db2.gz DCIJOFSNYGGIDZ-INIZCTEOSA-N 0 1 275.367 3.599 20 0 CHADMN COc1cc(F)cc(CN2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000449332395 1124690609 /nfs/dbraw/zinc/69/06/09/1124690609.db2.gz DCIJOFSNYGGIDZ-INIZCTEOSA-N 0 1 275.367 3.599 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000872131493 1124691385 /nfs/dbraw/zinc/69/13/85/1124691385.db2.gz VJORYGZPYUYGLM-IUCAKERBSA-N 0 1 298.312 3.544 20 0 CHADMN Cc1cccc(CN2CCC[C@@H]2c2ccncc2)c1F ZINC000449321850 1124693551 /nfs/dbraw/zinc/69/35/51/1124693551.db2.gz VAIGFSGBUMDKDF-MRXNPFEDSA-N 0 1 270.351 3.866 20 0 CHADMN CCC[C@H](N[C@H](C)c1nccnc1C)c1ccc(OC)cc1 ZINC000872135958 1124693647 /nfs/dbraw/zinc/69/36/47/1124693647.db2.gz ZBUGIFQZHDHPLR-PBHICJAKSA-N 0 1 299.418 3.986 20 0 CHADMN c1nc2c(s1)CCC[C@@H]2NC1CC(Nc2ccccc2)C1 ZINC000872136157 1124694104 /nfs/dbraw/zinc/69/41/04/1124694104.db2.gz ZRYWIPCDSRBTLK-NRXISQOPSA-N 0 1 299.443 3.753 20 0 CHADMN Fc1cnccc1CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000449341787 1124694884 /nfs/dbraw/zinc/69/48/84/1124694884.db2.gz WOFNHRSUFQYRNQ-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@@H](C3CCC3)C2)cc1C(=O)[O-] ZINC000872162816 1124697026 /nfs/dbraw/zinc/69/70/26/1124697026.db2.gz XHFNJJSFCARARD-MRXNPFEDSA-N 0 1 287.403 3.705 20 0 CHADMN CC[C@@]1(C)CCC[N@@H+](Cc2ccc(C)c(C(=O)[O-])c2)C1 ZINC000872158341 1124697048 /nfs/dbraw/zinc/69/70/48/1124697048.db2.gz ARSRKMLRJZBDPU-KRWDZBQOSA-N 0 1 275.392 3.705 20 0 CHADMN Cc1ccc(C[N@@H+]2CCC[C@H](C(C)C)CC2)cc1C(=O)[O-] ZINC000872159519 1124697071 /nfs/dbraw/zinc/69/70/71/1124697071.db2.gz VJHFKZPMTNRRBU-INIZCTEOSA-N 0 1 289.419 3.951 20 0 CHADMN C/C=C\C[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC000872161055 1124697254 /nfs/dbraw/zinc/69/72/54/1124697254.db2.gz OYLOHBOWPLOZCD-DLGQBQFBSA-N 0 1 279.405 3.625 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1ccnn1C1CCCC1 ZINC000449335057 1124699642 /nfs/dbraw/zinc/69/96/42/1124699642.db2.gz YKYUFTGSNSTKSN-ZDUSSCGKSA-N 0 1 281.469 3.572 20 0 CHADMN FCC(CF)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449377668 1124700486 /nfs/dbraw/zinc/70/04/86/1124700486.db2.gz BGSLKZSBGDPOSD-DGCLKSJQSA-N 0 1 273.754 3.873 20 0 CHADMN ClC(Cl)=CCN1CCC[C@@H](OC2CCC2)CC1 ZINC000872282070 1124701268 /nfs/dbraw/zinc/70/12/68/1124701268.db2.gz AEYXNROTKIICRV-GFCCVEGCSA-N 0 1 278.223 3.729 20 0 CHADMN Clc1cc(CN2CCC[C@H](OC3CCC3)CC2)ccn1 ZINC000872278237 1124701985 /nfs/dbraw/zinc/70/19/85/1124701985.db2.gz KMCZEINOSCHVGK-HNNXBMFYSA-N 0 1 294.826 3.659 20 0 CHADMN CCCc1csc(CNCC2=CCCCC2)n1 ZINC000449376791 1124706131 /nfs/dbraw/zinc/70/61/31/1124706131.db2.gz PPOADITVWQSWJL-UHFFFAOYSA-N 0 1 250.411 3.686 20 0 CHADMN Cc1ccc(C)c([C@H]2CCCN2CN2CCSC2=O)c1 ZINC000124046273 1124706699 /nfs/dbraw/zinc/70/66/99/1124706699.db2.gz SQZVAJVYYPIKHE-OAHLLOKOSA-N 0 1 290.432 3.567 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CC[C@H](F)C1 ZINC000449389435 1124719574 /nfs/dbraw/zinc/71/95/74/1124719574.db2.gz CVRCWHAHTBTVGA-LBPRGKRZSA-N 0 1 261.262 3.558 20 0 CHADMN C[C@@H](NC1CCC(OC2CCCC2)CC1)C(C)(F)F ZINC000449415331 1124721902 /nfs/dbraw/zinc/72/19/02/1124721902.db2.gz OSEZNQHLAHNLMY-LKSINWNRSA-N 0 1 275.383 3.890 20 0 CHADMN C[C@H](Cc1ccccc1)CN1CC(C)(C)[C@@H]1c1nccn1C ZINC000449416852 1124722949 /nfs/dbraw/zinc/72/29/49/1124722949.db2.gz VQRLDAUBJNJTPA-WBVHZDCISA-N 0 1 297.446 3.682 20 0 CHADMN c1cc(N2CCCC2)oc1CN1CCC[C@@H]1c1cccnc1 ZINC001137061308 1124723043 /nfs/dbraw/zinc/72/30/43/1124723043.db2.gz PUOFNVIZCLRHDW-QGZVFWFLSA-N 0 1 297.402 3.612 20 0 CHADMN CN(Cc1ccc(Oc2ccccc2)o1)CC(C)(C)CO ZINC000449422999 1124731334 /nfs/dbraw/zinc/73/13/34/1124731334.db2.gz NLRNBVHOUXFFJZ-UHFFFAOYSA-N 0 1 289.375 3.522 20 0 CHADMN COc1ccc(C[C@@H](C)CN[C@H](C)C(C)(F)F)cc1F ZINC000449411247 1124731463 /nfs/dbraw/zinc/73/14/63/1124731463.db2.gz ARYLOJHPDYQNLL-GHMZBOCLSA-N 0 1 289.341 3.646 20 0 CHADMN Clc1cccc(C2(CNCc3ccon3)CCC2)c1 ZINC000873150164 1124741669 /nfs/dbraw/zinc/74/16/69/1124741669.db2.gz YSBXXNQYRQETMU-UHFFFAOYSA-N 0 1 276.767 3.540 20 0 CHADMN CC(C)OC1(CNCc2nc(C(C)(C)C)cs2)CCC1 ZINC000873167136 1124745424 /nfs/dbraw/zinc/74/54/24/1124745424.db2.gz HPALNRDNFOBNHW-UHFFFAOYSA-N 0 1 296.480 3.878 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2nccnc2C)cc1Cl ZINC000873186773 1124746358 /nfs/dbraw/zinc/74/63/58/1124746358.db2.gz FJGZEGKCGCTEJD-LBPRGKRZSA-N 0 1 275.783 3.598 20 0 CHADMN C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1ccccc1F ZINC000449457598 1124747120 /nfs/dbraw/zinc/74/71/20/1124747120.db2.gz GGZQFGHHVGZHBU-CMPLNLGQSA-N 0 1 275.289 3.989 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1ccc(CC(C)C)cc1 ZINC000873187106 1124747486 /nfs/dbraw/zinc/74/74/86/1124747486.db2.gz LIOANXBPCYNEEL-HNNXBMFYSA-N 0 1 283.419 3.834 20 0 CHADMN CCCc1cccc(CN[C@@H](C)c2nccnc2C)c1 ZINC000873187124 1124748239 /nfs/dbraw/zinc/74/82/39/1124748239.db2.gz MACCMJFJMMYAGU-AWEZNQCLSA-N 0 1 269.392 3.588 20 0 CHADMN CC(C)n1ccnc1CNc1nc2ccc(Cl)cc2[nH]1 ZINC000873189088 1124749349 /nfs/dbraw/zinc/74/93/49/1124749349.db2.gz NUTZKFQCVJICIQ-UHFFFAOYSA-N 0 1 289.770 3.606 20 0 CHADMN CC(=O)Oc1ccc(CN([C@H](C)c2ccco2)C2CC2)cc1 ZINC000124440896 1124755120 /nfs/dbraw/zinc/75/51/20/1124755120.db2.gz FWJOXXIZXUMYOI-CYBMUJFWSA-N 0 1 299.370 3.931 20 0 CHADMN CCOc1cc(C)c(-c2ccc3nc[nH]c3c2C)cn1 ZINC001238976197 1131282441 /nfs/dbraw/zinc/28/24/41/1131282441.db2.gz GPWOXYMCVZDCRE-UHFFFAOYSA-N 0 1 267.332 3.640 20 0 CHADMN CCOC[C@@H]1CN([C@H](C)c2ccc3ccccc3c2)CCO1 ZINC000528717805 1124769664 /nfs/dbraw/zinc/76/96/64/1124769664.db2.gz GUSKRDYUIFJYRO-BEFAXECRSA-N 0 1 299.414 3.638 20 0 CHADMN CCCCCN(C(=O)c1cc(F)cc(F)c1O)C(C)C ZINC001136339825 1131286560 /nfs/dbraw/zinc/28/65/60/1131286560.db2.gz URJVKBZZUNJSGB-UHFFFAOYSA-N 0 1 285.334 3.711 20 0 CHADMN COc1cc([C@@H](C)N[C@H](c2ccccc2)C(C)C)on1 ZINC000820805107 1131302772 /nfs/dbraw/zinc/30/27/72/1131302772.db2.gz FRGWPZUZINEWDW-WBMJQRKESA-N 0 1 274.364 3.731 20 0 CHADMN Cc1cc(C)c(-c2ccc(C(=O)[O-])cc2F)c(C)[nH+]1 ZINC001239274934 1131310117 /nfs/dbraw/zinc/31/01/17/1131310117.db2.gz KGPXVSGJTUFTFS-UHFFFAOYSA-N 0 1 259.280 3.511 20 0 CHADMN C[C@H](NC(=O)Nc1ccc2nc[nH]c2c1)C1CCCCC1 ZINC001239198796 1131305911 /nfs/dbraw/zinc/30/59/11/1131305911.db2.gz NJWZZFYDLMNMFI-NSHDSACASA-N 0 1 286.379 3.653 20 0 CHADMN C[C@@H]1CC[C@@H](CN2CCc3cccc(C(F)(F)F)c3C2)O1 ZINC000528795500 1124809049 /nfs/dbraw/zinc/80/90/49/1124809049.db2.gz VIKPLQCFFNYNMU-YPMHNXCESA-N 0 1 299.336 3.631 20 0 CHADMN CCCc1ncc(CNCc2cc(C)c(C)cc2C)o1 ZINC000449612291 1124817717 /nfs/dbraw/zinc/81/77/17/1124817717.db2.gz KZXFITDQVFKGQM-UHFFFAOYSA-N 0 1 272.392 3.842 20 0 CHADMN Cc1nc(CNC2(Cc3cccc(Cl)c3)CC2)cs1 ZINC000449676024 1124835002 /nfs/dbraw/zinc/83/50/02/1124835002.db2.gz DSPYZMZDYTXZHL-UHFFFAOYSA-N 0 1 292.835 3.970 20 0 CHADMN C/C(=C/c1ccccc1)CNCc1cnc(C2CC2)o1 ZINC000449696657 1124842483 /nfs/dbraw/zinc/84/24/83/1124842483.db2.gz ISQRGARDGNEUJQ-LCYFTJDESA-N 0 1 268.360 3.745 20 0 CHADMN Oc1cccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c1Cl ZINC000449735424 1124856624 /nfs/dbraw/zinc/85/66/24/1124856624.db2.gz UGEKTDMFKTWVBO-OAHLLOKOSA-N 0 1 297.851 3.765 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c1Cl ZINC000449735424 1124856632 /nfs/dbraw/zinc/85/66/32/1124856632.db2.gz UGEKTDMFKTWVBO-OAHLLOKOSA-N 0 1 297.851 3.765 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c1Cl ZINC000449735424 1124856639 /nfs/dbraw/zinc/85/66/39/1124856639.db2.gz UGEKTDMFKTWVBO-OAHLLOKOSA-N 0 1 297.851 3.765 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc3ccccn23)cc1C ZINC000449763913 1124872541 /nfs/dbraw/zinc/87/25/41/1124872541.db2.gz WRQZVBIBWHIOCI-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN OCCC[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000449788782 1124873770 /nfs/dbraw/zinc/87/37/70/1124873770.db2.gz FLIQOSIZMWCHCQ-LLVKDONJSA-N 0 1 288.218 3.588 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C[C@H](C)c1ccco1 ZINC000529148688 1124901058 /nfs/dbraw/zinc/90/10/58/1124901058.db2.gz FBTQTAPWOPHTIW-NSHDSACASA-N 0 1 283.331 3.597 20 0 CHADMN CC(=O)[C@@H](N[C@H]1CCc2cccc(F)c2C1)c1ccccc1 ZINC001170958346 1131317869 /nfs/dbraw/zinc/31/78/69/1131317869.db2.gz VGXFYLJVKMLZGW-QFBILLFUSA-N 0 1 297.373 3.603 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(Cl)nc2)ccc1F ZINC000125732685 1124922439 /nfs/dbraw/zinc/92/24/39/1124922439.db2.gz UUCUZJRUMJAGJJ-UHFFFAOYSA-N 0 1 278.758 3.815 20 0 CHADMN CC(=O)c1ccc(CN(C)CCOc2cccc(C)c2)cc1 ZINC000450234847 1124955460 /nfs/dbraw/zinc/95/54/60/1124955460.db2.gz VGJICXWNTATBTE-UHFFFAOYSA-N 0 1 297.398 3.708 20 0 CHADMN C[C@H](c1ccccc1)N(Cc1ccc(Cl)nn1)C1CC1 ZINC000876569259 1124960558 /nfs/dbraw/zinc/96/05/58/1124960558.db2.gz DOGHOHOIONTXOK-GFCCVEGCSA-N 0 1 287.794 3.856 20 0 CHADMN CCN(Cc1nnc(C(C)C)s1)[C@@H](C)C(C)C ZINC000450299760 1124973312 /nfs/dbraw/zinc/97/33/12/1124973312.db2.gz QIVCVVUJHBTYIP-NSHDSACASA-N 0 1 255.431 3.528 20 0 CHADMN O=C(c1cccc(-c2ccc3cncn3c2)c1)C(F)(F)F ZINC001239381556 1131322750 /nfs/dbraw/zinc/32/27/50/1131322750.db2.gz ZOSPZLMYCBIVSU-UHFFFAOYSA-N 0 1 290.244 3.746 20 0 CHADMN C[C@H](c1ccco1)N(C)Cc1ccc2cc[nH]c2c1 ZINC000529523623 1124985156 /nfs/dbraw/zinc/98/51/56/1124985156.db2.gz XMELQMRFBHIUTI-GFCCVEGCSA-N 0 1 254.333 3.954 20 0 CHADMN Cc1cccc(Cl)c1CN1CCC[C@@H](n2cccn2)C1 ZINC000450339518 1124985746 /nfs/dbraw/zinc/98/57/46/1124985746.db2.gz ASTKXPCRKBVOAY-CQSZACIVSA-N 0 1 289.810 3.682 20 0 CHADMN CC[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000450342897 1124989150 /nfs/dbraw/zinc/98/91/50/1124989150.db2.gz BONCDCKFZJIHQZ-GFCCVEGCSA-N 0 1 281.783 3.501 20 0 CHADMN C[C@H](Cc1ccccc1F)NCc1nc(Cl)cs1 ZINC000876959645 1124993408 /nfs/dbraw/zinc/99/34/08/1124993408.db2.gz WZUQAZFXYOGADT-SECBINFHSA-N 0 1 284.787 3.656 20 0 CHADMN CC[C@@]1(CO)CCCN1Cc1ccsc1C(F)(F)F ZINC000529559487 1124994215 /nfs/dbraw/zinc/99/42/15/1124994215.db2.gz XIEIOPUYJWZBMG-LBPRGKRZSA-N 0 1 293.354 3.504 20 0 CHADMN CO[C@H]1CCN(Cc2ccsc2C(F)(F)F)[C@H](C)C1 ZINC000529554116 1124996018 /nfs/dbraw/zinc/99/60/18/1124996018.db2.gz BEILBCOIYXQROQ-KOLCDFICSA-N 0 1 293.354 3.766 20 0 CHADMN Cc1ccc(-c2cc(N3CCCCC3)ccn2)c(C)n1 ZINC001239449800 1131326036 /nfs/dbraw/zinc/32/60/36/1131326036.db2.gz QHIVPZITNMDFTK-UHFFFAOYSA-N 0 1 267.376 3.751 20 0 CHADMN CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000450366350 1125001932 /nfs/dbraw/zinc/00/19/32/1125001932.db2.gz ULBMFZTWZNGFLZ-VIFPVBQESA-N 0 1 299.296 3.788 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@H](CC)O1 ZINC000529610448 1125009741 /nfs/dbraw/zinc/00/97/41/1125009741.db2.gz DSLQTKHVNDYWBM-IYBDPMFKSA-N 0 1 272.392 3.557 20 0 CHADMN CC(C)CSCCCNCc1nc(Cl)cs1 ZINC000877121705 1125012326 /nfs/dbraw/zinc/01/23/26/1125012326.db2.gz ZYIBFZXCTHZFSD-UHFFFAOYSA-N 0 1 278.874 3.665 20 0 CHADMN CN(CCc1cccs1)Cc1ccn(-c2ccccc2)n1 ZINC000120959176 1125012532 /nfs/dbraw/zinc/01/25/32/1125012532.db2.gz ITSSYOZTNLGXJD-UHFFFAOYSA-N 0 1 297.427 3.608 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)nc1 ZINC000120999967 1125016155 /nfs/dbraw/zinc/01/61/55/1125016155.db2.gz BBHSVXTTWSAGIF-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1scc(CNCc2ccc([N+](=O)[O-])cc2F)c1C ZINC000399835589 1125019855 /nfs/dbraw/zinc/01/98/55/1125019855.db2.gz FMSZHJKGPVBNHG-UHFFFAOYSA-N 0 1 294.351 3.702 20 0 CHADMN CCCN(Cc1ncc(Br)cc1F)C(C)C ZINC000529622254 1125020318 /nfs/dbraw/zinc/02/03/18/1125020318.db2.gz LRGYUSBYASZOAR-UHFFFAOYSA-N 0 1 289.192 3.604 20 0 CHADMN CS[C@@H](CNCc1nc(Cl)cs1)C(C)(C)C ZINC000877305737 1125022362 /nfs/dbraw/zinc/02/23/62/1125022362.db2.gz ZPXIVZBCNSTVLI-QMMMGPOBSA-N 0 1 278.874 3.664 20 0 CHADMN Cc1ccc([C@@H]2CCC[C@@H]2N(C)Cc2cnns2)cc1 ZINC000450437209 1125023582 /nfs/dbraw/zinc/02/35/82/1125023582.db2.gz IBBWALZVOWLBQD-HOTGVXAUSA-N 0 1 287.432 3.615 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000450440910 1125027208 /nfs/dbraw/zinc/02/72/08/1125027208.db2.gz PWDVTUKJWQYNOS-COPLHBTASA-N 0 1 289.375 3.606 20 0 CHADMN c1ccc([C@@H](NCc2ccc3c(n2)CCC3)C2CCC2)nc1 ZINC000529643140 1125027416 /nfs/dbraw/zinc/02/74/16/1125027416.db2.gz JKMAVELWAVEBPM-IBGZPJMESA-N 0 1 293.414 3.596 20 0 CHADMN CCCCOC1CCN(Cc2ccc(C(C)=O)cc2)CC1 ZINC000450454763 1125032547 /nfs/dbraw/zinc/03/25/47/1125032547.db2.gz SMJODNIIBZHHKK-UHFFFAOYSA-N 0 1 289.419 3.670 20 0 CHADMN Clc1csc(CN[C@@H]2Cc3ccc(Cl)cc3C2)n1 ZINC000877498836 1125035907 /nfs/dbraw/zinc/03/59/07/1125035907.db2.gz VJNPEYDCOFRDLE-LLVKDONJSA-N 0 1 299.226 3.707 20 0 CHADMN COc1cc(CN2CC[C@H](OCC(C)C)C2)ccc1Cl ZINC000450481265 1125042386 /nfs/dbraw/zinc/04/23/86/1125042386.db2.gz DGFCOUDVRACEPM-AWEZNQCLSA-N 0 1 297.826 3.596 20 0 CHADMN CC(F)(F)CCNc1ccnc2cc(F)ccc21 ZINC000450552358 1125059113 /nfs/dbraw/zinc/05/91/13/1125059113.db2.gz HEVGCFVVHKAWSV-UHFFFAOYSA-N 0 1 254.255 3.831 20 0 CHADMN Cc1cc(CN2CCC(CCF)CC2)cc(Cl)n1 ZINC000877675089 1125062649 /nfs/dbraw/zinc/06/26/49/1125062649.db2.gz VUDLVFAPBUZOPE-UHFFFAOYSA-N 0 1 270.779 3.615 20 0 CHADMN CCC(NC(=O)c1ccc(O)c(Cl)c1)(C1CC1)C1CC1 ZINC000529792198 1125067283 /nfs/dbraw/zinc/06/72/83/1125067283.db2.gz HFDYEUPATWCBBX-UHFFFAOYSA-N 0 1 293.794 3.744 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN[C@@H](C)c1ccnn1C ZINC000877763365 1125075910 /nfs/dbraw/zinc/07/59/10/1125075910.db2.gz WDPMBUOFRVZAKO-LBPRGKRZSA-N 0 1 277.799 3.541 20 0 CHADMN C[C@@H]1COC[C@H](c2ccccc2)N1C[C@@H]1CCC(F)(F)C1 ZINC000450639361 1125076436 /nfs/dbraw/zinc/07/64/36/1125076436.db2.gz KOWVJQCVGPLKHB-IIAWOOMASA-N 0 1 295.373 3.884 20 0 CHADMN Cc1cc(CNCc2cccc(OC(C)(C)C)c2)sn1 ZINC000877805560 1125079506 /nfs/dbraw/zinc/07/95/06/1125079506.db2.gz CYTITJXFVYPCPD-UHFFFAOYSA-N 0 1 290.432 3.919 20 0 CHADMN CC(C)n1ccnc1CN1CC[C@]2(CCc3ccccc32)C1 ZINC000877811740 1125082631 /nfs/dbraw/zinc/08/26/31/1125082631.db2.gz VMCHHHBSVQWHME-LJQANCHMSA-N 0 1 295.430 3.554 20 0 CHADMN FC1(F)CCC[C@H]1CSc1nc(-c2ccccc2)n[nH]1 ZINC000450678843 1125084385 /nfs/dbraw/zinc/08/43/85/1125084385.db2.gz IQEKMJJLKGEWPF-NSHDSACASA-N 0 1 295.358 3.999 20 0 CHADMN Cc1csc([C@H]2CCN(Cc3ccc(F)c(F)c3)C2)n1 ZINC000877814092 1125086645 /nfs/dbraw/zinc/08/66/45/1125086645.db2.gz STGUUPYTUZMDFY-LBPRGKRZSA-N 0 1 294.370 3.719 20 0 CHADMN C[N@H+](Cc1nc2c(o1)CCCC2)CC1CCCCC1 ZINC000877898603 1125096394 /nfs/dbraw/zinc/09/63/94/1125096394.db2.gz AVTOQXJWWKYNOL-UHFFFAOYSA-N 0 1 262.397 3.566 20 0 CHADMN CC(F)(F)CCCN1CCO[C@](C)(c2ccccc2)C1 ZINC001168124338 1125097414 /nfs/dbraw/zinc/09/74/14/1125097414.db2.gz FBSLAFVQTISJEX-HNNXBMFYSA-N 0 1 283.362 3.669 20 0 CHADMN FC1(F)CCCC[C@@H]1CSc1nc(C2CC2)n[nH]1 ZINC000450763281 1125099693 /nfs/dbraw/zinc/09/96/93/1125099693.db2.gz VVFXOYAKUVVGDC-SECBINFHSA-N 0 1 273.352 3.600 20 0 CHADMN FC1(F)CCCC[C@@H]1CSc1n[nH]c(C2CC2)n1 ZINC000450763281 1125099700 /nfs/dbraw/zinc/09/97/00/1125099700.db2.gz VVFXOYAKUVVGDC-SECBINFHSA-N 0 1 273.352 3.600 20 0 CHADMN COC1(CSc2nnc(CCC3CCCC3)[nH]2)CCC1 ZINC000450752756 1125101996 /nfs/dbraw/zinc/10/19/96/1125101996.db2.gz AXDYKKHRZRSEBS-UHFFFAOYSA-N 0 1 295.452 3.589 20 0 CHADMN COC1(CSc2nc(CCC3CCCC3)n[nH]2)CCC1 ZINC000450752756 1125102002 /nfs/dbraw/zinc/10/20/02/1125102002.db2.gz AXDYKKHRZRSEBS-UHFFFAOYSA-N 0 1 295.452 3.589 20 0 CHADMN CCC1(CC)CN(CCC2=CCCCC2)CC[S@@]1=O ZINC000450758808 1125103815 /nfs/dbraw/zinc/10/38/15/1125103815.db2.gz PAYROJIUGVABSX-IBGZPJMESA-N 0 1 283.481 3.500 20 0 CHADMN CC(C)c1ccc(NC(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)cc1 ZINC000877956119 1125105968 /nfs/dbraw/zinc/10/59/68/1125105968.db2.gz VAFYVSHUZVAFRR-YVEFUNNKSA-N 0 1 297.402 3.838 20 0 CHADMN CC1(C)CN(CCc2cscn2)CC[C@@H]1C(F)(F)F ZINC000450840870 1125113797 /nfs/dbraw/zinc/11/37/97/1125113797.db2.gz JTSUVQHAFHRDDH-NSHDSACASA-N 0 1 292.370 3.596 20 0 CHADMN C[C@H](CN(C)C(=O)c1cccc2[nH]cnc21)C1CCCCC1 ZINC000530035840 1125114802 /nfs/dbraw/zinc/11/48/02/1125114802.db2.gz ALUFINYRZBZIEG-CYBMUJFWSA-N 0 1 299.418 3.851 20 0 CHADMN Cc1conc1CN1CCC(c2ccccc2C)CC1 ZINC000878081575 1125116584 /nfs/dbraw/zinc/11/65/84/1125116584.db2.gz DGBPKPYVDJZRMF-UHFFFAOYSA-N 0 1 270.376 3.671 20 0 CHADMN c1cc(CN2CCC(c3ccc4ccccc4c3)CC2)n[nH]1 ZINC001137128932 1125123503 /nfs/dbraw/zinc/12/35/03/1125123503.db2.gz FULVLTNFXQUYJW-UHFFFAOYSA-N 0 1 291.398 3.943 20 0 CHADMN CCCC[C@H](CC)C[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000530180460 1125128985 /nfs/dbraw/zinc/12/89/85/1125128985.db2.gz ZWQAABQDGIWUKQ-XGUBFFRZSA-N 0 1 269.429 3.776 20 0 CHADMN C[C@@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1nc(C(C)(C)C)cs1 ZINC000451128428 1125138165 /nfs/dbraw/zinc/13/81/65/1125138165.db2.gz XDGQTBWJQTXEMK-WYUUTHIRSA-N 0 1 282.453 3.657 20 0 CHADMN FC1(F)CC2(CN(C[C@H]3CC[C@@H](c4ccccc4)O3)C2)C1 ZINC000878321078 1125141344 /nfs/dbraw/zinc/14/13/44/1125141344.db2.gz MLDCHZPLZOOABM-CABCVRRESA-N 0 1 293.357 3.638 20 0 CHADMN COc1ccc([C@@H]2CCCCCN2Cc2cc[nH]n2)cc1 ZINC000121692292 1125141830 /nfs/dbraw/zinc/14/18/30/1125141830.db2.gz WWLYZPZJIMLOJY-KRWDZBQOSA-N 0 1 285.391 3.536 20 0 CHADMN COC[C@]1(C)CC[N@H+]([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000451203366 1125144173 /nfs/dbraw/zinc/14/41/73/1125144173.db2.gz PUJDIIOBDXDDHN-XHDPSFHLSA-N 0 1 285.790 3.899 20 0 CHADMN COC[C@]1(C)CCN([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000451203366 1125144177 /nfs/dbraw/zinc/14/41/77/1125144177.db2.gz PUJDIIOBDXDDHN-XHDPSFHLSA-N 0 1 285.790 3.899 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1ccc(C)c(Cl)n1 ZINC000878403053 1125148910 /nfs/dbraw/zinc/14/89/10/1125148910.db2.gz MHDQROWTWWINHH-LBPRGKRZSA-N 0 1 289.810 3.852 20 0 CHADMN Cc1csc(C2(NC[C@@H]3CCC4(CCC4)O3)CCC2)n1 ZINC000878417098 1125152027 /nfs/dbraw/zinc/15/20/27/1125152027.db2.gz CRYOFEPBZHSDJX-ZDUSSCGKSA-N 0 1 292.448 3.522 20 0 CHADMN C=C/C=C/CCN[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000878426310 1125153986 /nfs/dbraw/zinc/15/39/86/1125153986.db2.gz XWRCMYVFUNOAMI-GFUIURDCSA-N 0 1 299.374 3.528 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccc1-n1cccn1)c1cncs1 ZINC000121837025 1125157425 /nfs/dbraw/zinc/15/74/25/1125157425.db2.gz NKNJLKKUGWLFIA-CHWSQXEVSA-N 0 1 298.415 3.741 20 0 CHADMN CC(C)c1cccc2c1OCCC[C@H]2NCc1ccnn1C ZINC000121889275 1125158242 /nfs/dbraw/zinc/15/82/42/1125158242.db2.gz JUXGKMFDDVMDRF-QGZVFWFLSA-N 0 1 299.418 3.547 20 0 CHADMN CCC[C@]1(COC)CCCN1Cc1scnc1Cl ZINC000878522415 1125158346 /nfs/dbraw/zinc/15/83/46/1125158346.db2.gz NGBFZUIBBYWWNL-CYBMUJFWSA-N 0 1 288.844 3.578 20 0 CHADMN C=C/C=C/CCN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000878527226 1125159589 /nfs/dbraw/zinc/15/95/89/1125159589.db2.gz ZXIKIZPLXWLDLE-XNPJLODASA-N 0 1 276.327 3.945 20 0 CHADMN CN(Cc1nc2c(o1)CCCC2)[C@@H]1CCC(C)(C)C1 ZINC000878542709 1125161237 /nfs/dbraw/zinc/16/12/37/1125161237.db2.gz QJMUVLTXLSPPMI-GFCCVEGCSA-N 0 1 262.397 3.564 20 0 CHADMN Cc1ccc(CN(C)[C@H](C)c2ccc(F)cc2)cn1 ZINC000121964441 1125164252 /nfs/dbraw/zinc/16/42/52/1125164252.db2.gz MAGGPEGEJWERIY-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN CC[C@@H](NCc1ncc(C)s1)c1cccs1 ZINC000122922779 1125214539 /nfs/dbraw/zinc/21/45/39/1125214539.db2.gz QJRCEQYREKSJSI-SNVBAGLBSA-N 0 1 252.408 3.754 20 0 CHADMN CCC1(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)CC1 ZINC000530939054 1125187935 /nfs/dbraw/zinc/18/79/35/1125187935.db2.gz YEFXJTGGVXLVFL-HNNXBMFYSA-N 0 1 297.402 3.725 20 0 CHADMN C[C@H]1c2ccccc2C[N@@H+]1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000879021393 1125191251 /nfs/dbraw/zinc/19/12/51/1125191251.db2.gz SXZUONQTIMJUPP-UICACZKSSA-N 0 1 257.377 3.521 20 0 CHADMN C[C@H]1c2ccccc2CN1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000879021393 1125191253 /nfs/dbraw/zinc/19/12/53/1125191253.db2.gz SXZUONQTIMJUPP-UICACZKSSA-N 0 1 257.377 3.521 20 0 CHADMN C(c1nc2c(o1)CCCC2)[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000879008923 1125191281 /nfs/dbraw/zinc/19/12/81/1125191281.db2.gz KZEXHTKVMJEITR-ZFWWWQNUSA-N 0 1 274.408 3.708 20 0 CHADMN CC1(C)C[N@@H+](C[C@H]2CCCC(C)(C)O2)[C@@H]1c1cccnc1 ZINC000879010283 1125191539 /nfs/dbraw/zinc/19/15/39/1125191539.db2.gz UFIXUGMFJZCUGG-HZPDHXFCSA-N 0 1 288.435 3.812 20 0 CHADMN CC1(C)CN(C[C@H]2CCCC(C)(C)O2)[C@@H]1c1cccnc1 ZINC000879010283 1125191540 /nfs/dbraw/zinc/19/15/40/1125191540.db2.gz UFIXUGMFJZCUGG-HZPDHXFCSA-N 0 1 288.435 3.812 20 0 CHADMN Clc1cccc(OCCSc2nc(C3CC3)n[nH]2)c1 ZINC000025069184 1125199493 /nfs/dbraw/zinc/19/94/93/1125199493.db2.gz OHCDKPAUJWXMEG-UHFFFAOYSA-N 0 1 295.795 3.507 20 0 CHADMN Clc1cccc(OCCSc2n[nH]c(C3CC3)n2)c1 ZINC000025069184 1125199494 /nfs/dbraw/zinc/19/94/94/1125199494.db2.gz OHCDKPAUJWXMEG-UHFFFAOYSA-N 0 1 295.795 3.507 20 0 CHADMN CC[C@@H](CNC(C)(C)c1nc2cc(Cl)ccc2o1)OC ZINC000879160122 1125200054 /nfs/dbraw/zinc/20/00/54/1125200054.db2.gz QTIPVQLGVLOCOE-NSHDSACASA-N 0 1 296.798 3.731 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)N1CC[C@@H](C)[C@@H](C)C1 ZINC000122703769 1125201680 /nfs/dbraw/zinc/20/16/80/1125201680.db2.gz HVACIXYUCDBBLG-WOPDTQHZSA-N 0 1 291.420 3.837 20 0 CHADMN CC(C)c1cnc(CN[C@H](C)[C@]23C[C@H]2CCCC3)o1 ZINC000879262832 1125205770 /nfs/dbraw/zinc/20/57/70/1125205770.db2.gz FGMAFPKPBUKDQS-IOASZLSFSA-N 0 1 262.397 3.856 20 0 CHADMN Cc1ccc(-c2cc(F)c3c(c2)CN(C)CC3)cc1 ZINC001239482194 1131339322 /nfs/dbraw/zinc/33/93/22/1131339322.db2.gz NLCBMTNKXRXMKB-UHFFFAOYSA-N 0 1 255.336 3.789 20 0 CHADMN COc1ccc2oc(CN[C@H](C)c3cccnc3)cc2c1 ZINC000122963701 1125215132 /nfs/dbraw/zinc/21/51/32/1125215132.db2.gz AHLRZMZIXSXSHY-GFCCVEGCSA-N 0 1 282.343 3.687 20 0 CHADMN Fc1ccc(C[N@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC000531472478 1125223287 /nfs/dbraw/zinc/22/32/87/1125223287.db2.gz YJOLSBKGWSXWCM-KRWDZBQOSA-N 0 1 255.336 3.643 20 0 CHADMN O[C@@H](CCN[C@H](CF)c1ccc(F)cc1)c1ccccc1 ZINC000879660938 1125224110 /nfs/dbraw/zinc/22/41/10/1125224110.db2.gz WEOGHMRPNLFWBE-SJORKVTESA-N 0 1 291.341 3.550 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cc3cnccc3o2)c(C)n1 ZINC000879715092 1125227280 /nfs/dbraw/zinc/22/72/80/1125227280.db2.gz OYVNUBVXDRVBSO-ZDUSSCGKSA-N 0 1 281.359 3.690 20 0 CHADMN Cc1cc(Nc2cnc3cccc(C)n23)cc(C)c1O ZINC001211909235 1125229745 /nfs/dbraw/zinc/22/97/45/1125229745.db2.gz YHVDJVCELDNMIO-UHFFFAOYSA-N 0 1 267.332 3.709 20 0 CHADMN COc1ncccc1CN[C@@H]1CCc2c1cccc2Cl ZINC000531946477 1125231520 /nfs/dbraw/zinc/23/15/20/1125231520.db2.gz WOCUJVNRXHAMIS-OAHLLOKOSA-N 0 1 288.778 3.521 20 0 CHADMN C[C@]1(C2CCCCC2)CCN1Cc1cscn1 ZINC000879788093 1125234281 /nfs/dbraw/zinc/23/42/81/1125234281.db2.gz QSMVQXDZEULLBK-CQSZACIVSA-N 0 1 250.411 3.688 20 0 CHADMN Cc1cccc2c(C[N@H+]3CCC[C@H]4CCC[C@@H]43)[nH]nc21 ZINC001137148066 1125239323 /nfs/dbraw/zinc/23/93/23/1125239323.db2.gz QMMMWTLWYBSYTO-CJNGLKHVSA-N 0 1 269.392 3.636 20 0 CHADMN Cc1cccc2c(CN3CCC[C@H]4CCC[C@@H]43)[nH]nc21 ZINC001137148066 1125239329 /nfs/dbraw/zinc/23/93/29/1125239329.db2.gz QMMMWTLWYBSYTO-CJNGLKHVSA-N 0 1 269.392 3.636 20 0 CHADMN CCC1(CC)CCCN1Cc1nnc(C(C)(C)C)o1 ZINC000880096533 1125250494 /nfs/dbraw/zinc/25/04/94/1125250494.db2.gz OHQAYXPKUXSSBB-UHFFFAOYSA-N 0 1 265.401 3.522 20 0 CHADMN C[C@@H](c1ccccc1)N1CCN([C@@H](C)c2ccncc2)CC1 ZINC000880247270 1125260204 /nfs/dbraw/zinc/26/02/04/1125260204.db2.gz ASYHRGTVOUJPGX-IRXDYDNUSA-N 0 1 295.430 3.521 20 0 CHADMN Cc1cccc2c(CN3C4CCCC3CCC4)[nH]nc21 ZINC001137150847 1125262277 /nfs/dbraw/zinc/26/22/77/1125262277.db2.gz ZAQOXQHMURQSHH-UHFFFAOYSA-N 0 1 269.392 3.778 20 0 CHADMN C[C@@H](c1ncc(-c2ccccc2)o1)N1CC[C@@H](CF)C1 ZINC000880293329 1125262698 /nfs/dbraw/zinc/26/26/98/1125262698.db2.gz HQQBUFVULJSZLM-STQMWFEESA-N 0 1 274.339 3.694 20 0 CHADMN Cc1ccc(-c2csc(CN3CC[C@@H](CF)C3)n2)cc1 ZINC000880299427 1125262906 /nfs/dbraw/zinc/26/29/06/1125262906.db2.gz HPKRVGVMEWIYPK-ZDUSSCGKSA-N 0 1 290.407 3.910 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN1CC[C@@H](CF)C1 ZINC000880293399 1125263209 /nfs/dbraw/zinc/26/32/09/1125263209.db2.gz JSUQXWDCCPDSGI-NSHDSACASA-N 0 1 280.368 3.503 20 0 CHADMN Cc1csc(CN2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC001137151823 1125266950 /nfs/dbraw/zinc/26/69/50/1125266950.db2.gz BGGPHZGTDLXBNR-QGZVFWFLSA-N 0 1 286.444 3.545 20 0 CHADMN Cc1c2[nH]c(-c3cccc(N)c3)nc2ccc1Cl ZINC000215261061 1125267438 /nfs/dbraw/zinc/26/74/38/1125267438.db2.gz XADMUKWUCNNGGA-UHFFFAOYSA-N 0 1 257.724 3.774 20 0 CHADMN Cc1cc(CN2CCc3ccsc3[C@H]2C)ccn1 ZINC000880376851 1125269785 /nfs/dbraw/zinc/26/97/85/1125269785.db2.gz VOOORGDHKSVMKL-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN Cc1cncc(CN2CCc3ccsc3[C@@H]2C)c1 ZINC000880376917 1125270268 /nfs/dbraw/zinc/27/02/68/1125270268.db2.gz LQEBFOWNGQRDKT-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@]12CCCO2)c1nc2ccccc2o1 ZINC000880515616 1125277433 /nfs/dbraw/zinc/27/74/33/1125277433.db2.gz RMEXPGQSXZDYPQ-VMGRFDJRSA-N 0 1 286.375 3.580 20 0 CHADMN c1oc(-c2ccccc2)nc1CN[C@@H]1CCC[C@]12CCCO2 ZINC000880512041 1125277866 /nfs/dbraw/zinc/27/78/66/1125277866.db2.gz PQYLABTUIANDNT-AEFFLSMTSA-N 0 1 298.386 3.533 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2nc(-c3cccs3)no2)C1 ZINC000475726819 1125281163 /nfs/dbraw/zinc/28/11/63/1125281163.db2.gz LDAFKNBZGIVVFG-IJLUTSLNSA-N 0 1 291.420 3.665 20 0 CHADMN COC1([C@@H](C)NCc2ncc(Cl)s2)CCCCC1 ZINC000872114565 1125283388 /nfs/dbraw/zinc/28/33/88/1125283388.db2.gz ZUORHRDCMKDGKQ-SNVBAGLBSA-N 0 1 288.844 3.624 20 0 CHADMN O=C(O[C@@H]1CCc2ccccc21)c1c(F)cc(O)cc1F ZINC000783715330 1125287498 /nfs/dbraw/zinc/28/74/98/1125287498.db2.gz CGZUTNZZYWJWCL-CQSZACIVSA-N 0 1 290.265 3.515 20 0 CHADMN CCc1cnc(CN(C)CCC(C)(C)CC)s1 ZINC000475750692 1125287926 /nfs/dbraw/zinc/28/79/26/1125287926.db2.gz RDPLOABMYBULJV-UHFFFAOYSA-N 0 1 254.443 3.964 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)Nc2ccc(F)cc2)o1 ZINC000055528437 1125292932 /nfs/dbraw/zinc/29/29/32/1125292932.db2.gz HJFRGBXXFNYVOR-UHFFFAOYSA-N 0 1 290.338 3.513 20 0 CHADMN Cc1ncc(CN[C@H]2CCCc3c4cc(C)ccc4[nH]c32)o1 ZINC000666165826 1125304497 /nfs/dbraw/zinc/30/44/97/1125304497.db2.gz RZDYKGGREIENNR-KRWDZBQOSA-N 0 1 295.386 3.940 20 0 CHADMN Fc1cnccc1CN[C@H](CC1CC1)c1ccccc1 ZINC000648454920 1125306290 /nfs/dbraw/zinc/30/62/90/1125306290.db2.gz HMOXUEBRGQWBAK-QGZVFWFLSA-N 0 1 270.351 3.852 20 0 CHADMN O=C(Nc1ccc(C2CC2)cc1F)c1cc(C(F)F)n[nH]1 ZINC000881443375 1125310513 /nfs/dbraw/zinc/31/05/13/1125310513.db2.gz JEYKVSKVLBRRFM-UHFFFAOYSA-N 0 1 295.264 3.616 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc3c(n2)CCC3)cc1C ZINC000897415131 1125316408 /nfs/dbraw/zinc/31/64/08/1125316408.db2.gz SVDDOSZGXDSJOJ-CQSZACIVSA-N 0 1 296.414 3.738 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cnccc2C(C)(C)C)s1 ZINC000666205700 1125316628 /nfs/dbraw/zinc/31/66/28/1125316628.db2.gz JDANBGYLQHRFCD-LLVKDONJSA-N 0 1 289.448 3.995 20 0 CHADMN C[C@H]1CC[C@H](CSc2nnc(CCC3CCCC3)[nH]2)O1 ZINC000191059620 1125322544 /nfs/dbraw/zinc/32/25/44/1125322544.db2.gz SMHMRFSZPRGKMB-WCQYABFASA-N 0 1 295.452 3.587 20 0 CHADMN C[C@H]1CC[C@H](CSc2nc(CCC3CCCC3)n[nH]2)O1 ZINC000191059620 1125322546 /nfs/dbraw/zinc/32/25/46/1125322546.db2.gz SMHMRFSZPRGKMB-WCQYABFASA-N 0 1 295.452 3.587 20 0 CHADMN C[C@H](NC[C@@H]1CC[C@H](C)O1)c1nc(C(C)(C)C)cs1 ZINC000191097671 1125322721 /nfs/dbraw/zinc/32/27/21/1125322721.db2.gz SNSVPBGMTMWDER-SRVKXCTJSA-N 0 1 282.453 3.659 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc3c(c2)CCO3)c(C)o1 ZINC000897419386 1125323936 /nfs/dbraw/zinc/32/39/36/1125323936.db2.gz JAVWDXYSNDYBFC-GFCCVEGCSA-N 0 1 271.360 3.682 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@@H]1NCc1nnc(C(C)C)o1 ZINC000191347485 1125323954 /nfs/dbraw/zinc/32/39/54/1125323954.db2.gz AXDIJYYPZNRRNA-KBPBESRZSA-N 0 1 279.428 3.888 20 0 CHADMN COc1ccc(OC)c(CNCc2ccc(C3CC3)cc2)c1 ZINC000191683825 1125327230 /nfs/dbraw/zinc/32/72/30/1125327230.db2.gz IPFDWGAVMQPDIX-UHFFFAOYSA-N 0 1 297.398 3.871 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@@H]1c1nncn1C ZINC000192626174 1125333675 /nfs/dbraw/zinc/33/36/75/1125333675.db2.gz GCVFIHPSSGFWKM-JKSUJKDBSA-N 0 1 290.455 3.725 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CCC[C@@H]1c1nncn1C ZINC000192626174 1125333678 /nfs/dbraw/zinc/33/36/78/1125333678.db2.gz GCVFIHPSSGFWKM-JKSUJKDBSA-N 0 1 290.455 3.725 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)N1CCCO[C@@H](C)C1 ZINC000170764360 1125345639 /nfs/dbraw/zinc/34/56/39/1125345639.db2.gz DEGPTCGBXYYILI-RYUDHWBXSA-N 0 1 253.773 3.512 20 0 CHADMN C[C@H](Oc1nnc2c[nH]ccc1-2)c1ccc(Cl)cc1 ZINC001228990255 1125352181 /nfs/dbraw/zinc/35/21/81/1125352181.db2.gz OEVFPJRRFFWRSJ-VIFPVBQESA-N 0 1 273.723 3.751 20 0 CHADMN C[C@H](NCc1ccc(CO)cc1)c1csc(Cl)c1 ZINC000235529588 1125357176 /nfs/dbraw/zinc/35/71/76/1125357176.db2.gz KOIBNABXLMWMCM-JTQLQIEISA-N 0 1 281.808 3.745 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cccc(Cl)c1N ZINC000882879597 1125359650 /nfs/dbraw/zinc/35/96/50/1125359650.db2.gz DMGNTHBPNPILPM-LLVKDONJSA-N 0 1 290.794 3.782 20 0 CHADMN COc1ccccc1[C@H](C)NCc1cccc(Cl)c1N ZINC000882879598 1125359686 /nfs/dbraw/zinc/35/96/86/1125359686.db2.gz DMGNTHBPNPILPM-NSHDSACASA-N 0 1 290.794 3.782 20 0 CHADMN CC[C@H](NCc1nc2c(s1)CCC2)c1ccccc1 ZINC000666411706 1125364765 /nfs/dbraw/zinc/36/47/65/1125364765.db2.gz AWMDPWOKYHUOKK-ZDUSSCGKSA-N 0 1 272.417 3.873 20 0 CHADMN OCC[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000051895595 1125368616 /nfs/dbraw/zinc/36/86/16/1125368616.db2.gz OUIXVGOJIZBVET-NSHDSACASA-N 0 1 288.218 3.588 20 0 CHADMN C/C=C/C[C@@H]1CCCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000626160717 1125376030 /nfs/dbraw/zinc/37/60/30/1125376030.db2.gz OFJXOBLJDFUTBE-YWVDXFKGSA-N 0 1 287.363 3.508 20 0 CHADMN C/C=C\C[C@H]1CCCN(Cc2ncc(C)s2)C1 ZINC000626163160 1125381700 /nfs/dbraw/zinc/38/17/00/1125381700.db2.gz GBAKKEXEGRCMQH-SCOBNMCVSA-N 0 1 250.411 3.630 20 0 CHADMN C/C=C/C[C@@H]1CCCN(Cc2nc(C)cs2)C1 ZINC000626162467 1125381812 /nfs/dbraw/zinc/38/18/12/1125381812.db2.gz UXPTXQWRWWOZQL-ITDFMYJTSA-N 0 1 250.411 3.630 20 0 CHADMN O=C([O-])C[N@H+](CCc1ccccc1)CCC1CCCCC1 ZINC000666578505 1125382203 /nfs/dbraw/zinc/38/22/03/1125382203.db2.gz BKQPJMIEZVMAHC-UHFFFAOYSA-N 0 1 289.419 3.586 20 0 CHADMN CCc1nocc1CN1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000508659013 1125382940 /nfs/dbraw/zinc/38/29/40/1125382940.db2.gz CHPQKSUZJYVDPW-YVEFUNNKSA-N 0 1 288.366 3.959 20 0 CHADMN CCc1nocc1CN1C[C@H](C)C[C@H]1c1ccccc1F ZINC000508658844 1125384557 /nfs/dbraw/zinc/38/45/57/1125384557.db2.gz CHPQKSUZJYVDPW-PXAZEXFGSA-N 0 1 288.366 3.959 20 0 CHADMN Fc1ccc([C@H](NCC2(CC3CC3)CC2)c2ncc[nH]2)cc1 ZINC000883253228 1125385133 /nfs/dbraw/zinc/38/51/33/1125385133.db2.gz MIJGCPASBNRCAF-INIZCTEOSA-N 0 1 299.393 3.808 20 0 CHADMN CC[C@H](C)[C@H](C)N(C(=O)c1[nH]nc2ccccc21)C1CC1 ZINC000104567430 1125387234 /nfs/dbraw/zinc/38/72/34/1125387234.db2.gz YMMJGQZWDCWLIH-RYUDHWBXSA-N 0 1 285.391 3.602 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(F)nc2C)cc1F ZINC000785414276 1125387286 /nfs/dbraw/zinc/38/72/86/1125387286.db2.gz WVOMJAYFAMQLRK-JTQLQIEISA-N 0 1 292.329 3.528 20 0 CHADMN CC(C)(CN[C@H]1c2ccccc2OC[C@H]1F)CC(F)F ZINC000883260548 1125387352 /nfs/dbraw/zinc/38/73/52/1125387352.db2.gz YVQFSSLCAQSBIH-RISCZKNCSA-N 0 1 287.325 3.729 20 0 CHADMN Cc1ccc(CNCc2cccc(C)c2C)c(Cl)n1 ZINC000883291558 1125391352 /nfs/dbraw/zinc/39/13/52/1125391352.db2.gz JTTKSSLVINQWAF-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN Cc1cccc(CNCc2ccc(C)nc2Cl)c1 ZINC000883291697 1125391608 /nfs/dbraw/zinc/39/16/08/1125391608.db2.gz OOTFCFUXRCSUAE-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@H+]1CCC12CC3CC(CC(C3)C1)C2 ZINC000042162459 1125392104 /nfs/dbraw/zinc/39/21/04/1125392104.db2.gz YEQWAASDSADIBN-QFQXCOSMSA-N 0 1 291.435 3.532 20 0 CHADMN C[C@H]1CCN(Cc2c(F)cccc2Cl)C[C@H]1C ZINC001168200729 1125392492 /nfs/dbraw/zinc/39/24/92/1125392492.db2.gz IDSMFWQRAIAHSW-WDEREUQCSA-N 0 1 255.764 3.957 20 0 CHADMN COc1cccc2c1OCCC[C@@H]2N[C@@H](C)c1cccnc1 ZINC000883330399 1125396770 /nfs/dbraw/zinc/39/67/70/1125396770.db2.gz DTFZTGDTNVMRNN-BBRMVZONSA-N 0 1 298.386 3.655 20 0 CHADMN COc1cccc2c1OCCC[C@H]2N[C@H](C)c1ccncc1 ZINC000883330554 1125396846 /nfs/dbraw/zinc/39/68/46/1125396846.db2.gz HDFKTFRLYJPMDM-CZUORRHYSA-N 0 1 298.386 3.655 20 0 CHADMN C[C@H]1Oc2ccccc2[C@H]1NCc1scnc1C1CC1 ZINC000342416954 1125402887 /nfs/dbraw/zinc/40/28/87/1125402887.db2.gz HNLYAUXCFDCJLI-BMIGLBTASA-N 0 1 286.400 3.632 20 0 CHADMN Fc1cccc([C@@H]2CCCN2Cc2cccnc2)c1 ZINC000171145964 1125404479 /nfs/dbraw/zinc/40/44/79/1125404479.db2.gz FDDAXFCMXURFJC-INIZCTEOSA-N 0 1 256.324 3.558 20 0 CHADMN CC(C)[C@@H](C)[N@@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000532485883 1125406611 /nfs/dbraw/zinc/40/66/11/1125406611.db2.gz CXBCFSBZDCFPBV-OAHLLOKOSA-N 0 1 297.446 3.837 20 0 CHADMN CCC[N@H+](CC(=O)Nc1ccccc1Cl)CC(C)C ZINC000532490333 1125406647 /nfs/dbraw/zinc/40/66/47/1125406647.db2.gz YBVZPBFGRPPESK-UHFFFAOYSA-N 0 1 282.815 3.647 20 0 CHADMN F[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc2nc[nH]c2c1 ZINC000883382177 1125406787 /nfs/dbraw/zinc/40/67/87/1125406787.db2.gz ASTIUFOQSNISLC-QAPCUYQASA-N 0 1 295.361 3.678 20 0 CHADMN CCC[C@@H](C)N(C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000532481930 1125407053 /nfs/dbraw/zinc/40/70/53/1125407053.db2.gz JVWPUYNGIAIYQA-SNVBAGLBSA-N 0 1 286.778 3.538 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@@H](C)c2cnn(C(C)C)c2)s1 ZINC000532511577 1125409443 /nfs/dbraw/zinc/40/94/43/1125409443.db2.gz MBMGUPPPOQWEGT-QWRGUYRKSA-N 0 1 292.452 3.949 20 0 CHADMN Cc1ccccc1[C@H](CO)N[C@@H](C)c1ccccc1F ZINC000532551575 1125410650 /nfs/dbraw/zinc/41/06/50/1125410650.db2.gz XYHVTEVHZCUQJK-GUYCJALGSA-N 0 1 273.351 3.518 20 0 CHADMN CC[C@@H]1CCCCCN1CC(=O)Nc1ccccc1Cl ZINC000532571239 1125415047 /nfs/dbraw/zinc/41/50/47/1125415047.db2.gz FKDBJDBKSDMGHK-CYBMUJFWSA-N 0 1 294.826 3.933 20 0 CHADMN CC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000030141859 1125417549 /nfs/dbraw/zinc/41/75/49/1125417549.db2.gz OERHYCXPDPHBJO-MRXNPFEDSA-N 0 1 288.435 3.672 20 0 CHADMN CC[C@@H]1CCCN(CC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000030141859 1125417552 /nfs/dbraw/zinc/41/75/52/1125417552.db2.gz OERHYCXPDPHBJO-MRXNPFEDSA-N 0 1 288.435 3.672 20 0 CHADMN Fc1cccc2c1CC[N@@H+](C[C@H]1CCC3(CCC3)CO1)C2 ZINC001168235628 1125421693 /nfs/dbraw/zinc/42/16/93/1125421693.db2.gz WAUQLTNYYGMGJV-OAHLLOKOSA-N 0 1 289.394 3.533 20 0 CHADMN Fc1cccc2c1CCN(C[C@H]1CCC3(CCC3)CO1)C2 ZINC001168235628 1125421695 /nfs/dbraw/zinc/42/16/95/1125421695.db2.gz WAUQLTNYYGMGJV-OAHLLOKOSA-N 0 1 289.394 3.533 20 0 CHADMN Cc1cc(C)cc([C@H](O)C[N@H+]2CCc3c(F)cccc3C2)c1 ZINC001168235366 1125421883 /nfs/dbraw/zinc/42/18/83/1125421883.db2.gz UMEIRRJNPFEVJS-LJQANCHMSA-N 0 1 299.389 3.534 20 0 CHADMN Cc1cc(C)cc([C@H](O)CN2CCc3c(F)cccc3C2)c1 ZINC001168235366 1125421885 /nfs/dbraw/zinc/42/18/85/1125421885.db2.gz UMEIRRJNPFEVJS-LJQANCHMSA-N 0 1 299.389 3.534 20 0 CHADMN CCN(Cc1cnc2cccc(C)n12)Cc1ccc(C)cc1 ZINC001137198617 1125430627 /nfs/dbraw/zinc/43/06/27/1125430627.db2.gz BNOIMHWWCPPKEZ-UHFFFAOYSA-N 0 1 293.414 3.973 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)N1CCC2(CCC2)C1 ZINC000123565999 1125431137 /nfs/dbraw/zinc/43/11/37/1125431137.db2.gz QDCIFSACLPNRRF-LLVKDONJSA-N 0 1 289.404 3.735 20 0 CHADMN Cc1nc(C[N@@H+]2CCCC[C@@H]2CC(C)C)cs1 ZINC000123660639 1125431709 /nfs/dbraw/zinc/43/17/09/1125431709.db2.gz POGKLEAFDUOFII-CQSZACIVSA-N 0 1 252.427 3.852 20 0 CHADMN CCCn1cc(CN2CCC[C@H]2c2ccc(F)cc2)cn1 ZINC000124076483 1125434666 /nfs/dbraw/zinc/43/46/66/1125434666.db2.gz MIHDIAOGFGWWDR-KRWDZBQOSA-N 0 1 287.382 3.769 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2ccc(C)cn2)cc1 ZINC000124430551 1125439298 /nfs/dbraw/zinc/43/92/98/1125439298.db2.gz MJAWXEXAXMRROQ-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(Br)c2)o1 ZINC000042206128 1125440867 /nfs/dbraw/zinc/44/08/67/1125440867.db2.gz OXOVHXLOMRIVJM-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN c1ccc(SCCN(Cc2cccnc2)C2CC2)cc1 ZINC000124717114 1125442001 /nfs/dbraw/zinc/44/20/01/1125442001.db2.gz FJFROALFKQRNIS-UHFFFAOYSA-N 0 1 284.428 3.838 20 0 CHADMN Cc1ncc(C[N@H+]2CCc3ccccc3[C@H]2C)s1 ZINC000106862365 1125445046 /nfs/dbraw/zinc/44/50/46/1125445046.db2.gz HOPXAKORJCSNRL-LLVKDONJSA-N 0 1 258.390 3.571 20 0 CHADMN Cc1ncc(CN2CCc3ccccc3[C@H]2C)s1 ZINC000106862365 1125445049 /nfs/dbraw/zinc/44/50/49/1125445049.db2.gz HOPXAKORJCSNRL-LLVKDONJSA-N 0 1 258.390 3.571 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(C(C)(C)O)cc2)oc1C ZINC000282853688 1125445405 /nfs/dbraw/zinc/44/54/05/1125445405.db2.gz UGAFMGBRHXHVSE-ZDUSSCGKSA-N 0 1 287.403 3.975 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H](C)c1ccc(F)nc1 ZINC000930179354 1125449892 /nfs/dbraw/zinc/44/98/92/1125449892.db2.gz CYSATTCGPRIIQZ-RYUDHWBXSA-N 0 1 274.339 3.641 20 0 CHADMN COCCN(Cc1csc(-c2ccoc2)n1)CC(C)C ZINC000108358743 1125453094 /nfs/dbraw/zinc/45/30/94/1125453094.db2.gz MPHFLRYGLJBILV-UHFFFAOYSA-N 0 1 294.420 3.508 20 0 CHADMN CCCO[C@H]1CCCN(Cc2cccc(F)c2F)CC1 ZINC000108395395 1125453959 /nfs/dbraw/zinc/45/39/59/1125453959.db2.gz PZBRDTNUMHWSGY-AWEZNQCLSA-N 0 1 283.362 3.746 20 0 CHADMN CCCN(Cc1ccc(C)cc1)Cc1nccnc1C ZINC000621710093 1129182242 /nfs/dbraw/zinc/18/22/42/1129182242.db2.gz SKZALCKHYSOVOQ-UHFFFAOYSA-N 0 1 269.392 3.506 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1nc3c(s1)CCC3)[C@@H](C)C2 ZINC000779990117 1129182454 /nfs/dbraw/zinc/18/24/54/1129182454.db2.gz AUXBEBHBGIZQHT-SGTLLEGYSA-N 0 1 298.455 3.963 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2nccnc2C)cc1 ZINC000621710682 1129183036 /nfs/dbraw/zinc/18/30/36/1129183036.db2.gz LYKVMCROOOFBHH-GOSISDBHSA-N 0 1 297.402 3.521 20 0 CHADMN CCN(Cc1cn2ccccc2n1)Cc1ccc(C)cc1 ZINC000621731793 1129187730 /nfs/dbraw/zinc/18/77/30/1129187730.db2.gz VVGOBEDJXZUHNZ-UHFFFAOYSA-N 0 1 279.387 3.665 20 0 CHADMN COc1ccc(F)c(CN[C@@H](C)c2ccc(C)nc2C)c1 ZINC000621765640 1129191185 /nfs/dbraw/zinc/19/11/85/1129191185.db2.gz AGZBPSYDGBIKGY-LBPRGKRZSA-N 0 1 288.366 3.697 20 0 CHADMN CC[C@H](C)[C@@H](CN[C@@H](c1ccccc1)c1ccccn1)OC ZINC000294349949 1129215519 /nfs/dbraw/zinc/21/55/19/1129215519.db2.gz ZDBUCVWLGUHQSA-IPELMVKDSA-N 0 1 298.430 3.822 20 0 CHADMN Cc1cc(C)c([C@@H](C)N2CCc3nc(C)ncc3C2)c(C)c1 ZINC000622022350 1129218277 /nfs/dbraw/zinc/21/82/77/1129218277.db2.gz INAKVZXGGDFBSX-OAHLLOKOSA-N 0 1 295.430 3.830 20 0 CHADMN Cc1cccc(CN[C@H](C)c2cccc(O)c2)c1F ZINC000295273368 1129218842 /nfs/dbraw/zinc/21/88/42/1129218842.db2.gz VXRAKBBDDHJQOJ-GFCCVEGCSA-N 0 1 259.324 3.691 20 0 CHADMN CCO[C@@H]1C[C@H](NCc2csc(CC)n2)C12CCCC2 ZINC000336890644 1129226845 /nfs/dbraw/zinc/22/68/45/1129226845.db2.gz NPPUTBYFSDITMO-UONOGXRCSA-N 0 1 294.464 3.533 20 0 CHADMN Cc1ncc([C@@H](C)N(C)[C@H](C)c2ccc(F)cc2)c(C)n1 ZINC000637880289 1129233991 /nfs/dbraw/zinc/23/39/91/1129233991.db2.gz IBHMXSFRYINTFV-CHWSQXEVSA-N 0 1 287.382 3.987 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1ccns1 ZINC000637910928 1129235535 /nfs/dbraw/zinc/23/55/35/1129235535.db2.gz HDBLBCOXKRIQIT-INIZCTEOSA-N 0 1 288.416 3.661 20 0 CHADMN Cc1ccccc1[C@H](C)N(C)[C@@H](c1nccn1C)C1CC1 ZINC000637901401 1129236166 /nfs/dbraw/zinc/23/61/66/1129236166.db2.gz CPVXGFDBDIJKEN-WMLDXEAASA-N 0 1 283.419 3.873 20 0 CHADMN CC(C)(CN1CCCC[C@@H]1c1ncc[nH]1)Oc1ccccc1 ZINC000637991141 1129239704 /nfs/dbraw/zinc/23/97/04/1129239704.db2.gz KEYNCSJEWHZKMN-MRXNPFEDSA-N 0 1 299.418 3.794 20 0 CHADMN Cc1ncc([C@H](C)N(C)[C@H](C)c2cccc(O)c2)c(C)n1 ZINC000638064624 1129241373 /nfs/dbraw/zinc/24/13/73/1129241373.db2.gz MHEQRBPHXZRLMJ-OLZOCXBDSA-N 0 1 285.391 3.553 20 0 CHADMN Cc1cc(CN2CCS[C@@H](c3ccccc3)C2)sn1 ZINC000638086469 1129242507 /nfs/dbraw/zinc/24/25/07/1129242507.db2.gz FYWXMSNMOOQWDN-OAHLLOKOSA-N 0 1 290.457 3.742 20 0 CHADMN Cc1ncc([C@@H](C)N2Cc3ccccc3C[C@H]2C)c(C)n1 ZINC000638114973 1129244009 /nfs/dbraw/zinc/24/40/09/1129244009.db2.gz DKOCKKOIPDPCOD-TZMCWYRMSA-N 0 1 281.403 3.601 20 0 CHADMN Cc1ncc([C@@H](C)N2CCCC[C@@H]2c2cccn2C)c(C)n1 ZINC000638151535 1129245913 /nfs/dbraw/zinc/24/59/13/1129245913.db2.gz FKDBFYUMCXENEM-RDTXWAMCSA-N 0 1 298.434 3.720 20 0 CHADMN COc1cccc(CN[C@H](C)c2cnccc2C)c1Cl ZINC000660240766 1129248534 /nfs/dbraw/zinc/24/85/34/1129248534.db2.gz CMAKNRAJGZUTFM-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN Cn1ccnc1[C@H](NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccccc1 ZINC000638343441 1129255586 /nfs/dbraw/zinc/25/55/86/1129255586.db2.gz PGTDTRNQWKBTDP-BZZMCLGOSA-N 0 1 295.430 3.535 20 0 CHADMN C[C@H]([NH2+]Cc1ccco1)c1cc(Br)ccc1[O-] ZINC000184843084 1129255861 /nfs/dbraw/zinc/25/58/61/1129255861.db2.gz TUIROWBFZWVIGA-VIFPVBQESA-N 0 1 296.164 3.599 20 0 CHADMN Cn1ccnc1[C@@H](NC1(c2ccccc2)CCC1)C1CC1 ZINC000638456772 1129259478 /nfs/dbraw/zinc/25/94/78/1129259478.db2.gz OHAACIMTDZARMH-INIZCTEOSA-N 0 1 281.403 3.540 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)Nc1cc(F)cc(Cl)c1 ZINC000622444657 1129260512 /nfs/dbraw/zinc/26/05/12/1129260512.db2.gz PJYZIXNWCSLUKQ-UHFFFAOYSA-N 0 1 281.718 3.578 20 0 CHADMN c1ccc(C2CC(NCc3nc4ccccc4o3)C2)cc1 ZINC000638581146 1129262844 /nfs/dbraw/zinc/26/28/44/1129262844.db2.gz FBPSIYFGRWEKJP-UHFFFAOYSA-N 0 1 278.355 3.864 20 0 CHADMN C[C@H]1CC[C@H](C(=O)Nc2cc(F)cc(Cl)c2O)CC1 ZINC000622519271 1129263458 /nfs/dbraw/zinc/26/34/58/1129263458.db2.gz YAWJCCNVKCGQEF-KYZUINATSA-N 0 1 285.746 3.950 20 0 CHADMN CC[C@](C)(CN[C@H](c1cccc(C)c1)c1ccccn1)OC ZINC000638813709 1129271146 /nfs/dbraw/zinc/27/11/46/1129271146.db2.gz KQDQYPZQIXWHEW-RTBURBONSA-N 0 1 298.430 3.884 20 0 CHADMN Cc1cc(CN[C@H]2CCCOc3c(F)cccc32)sn1 ZINC000638916505 1129274782 /nfs/dbraw/zinc/27/47/82/1129274782.db2.gz JWZUEPJRLZYXKY-AWEZNQCLSA-N 0 1 292.379 3.594 20 0 CHADMN CC1(C)CN(Cc2cccc(C(F)F)c2)CCS1 ZINC000348055040 1129275343 /nfs/dbraw/zinc/27/53/43/1129275343.db2.gz OQLHWIAIPBOVAP-UHFFFAOYSA-N 0 1 271.376 3.952 20 0 CHADMN C[C@@H](c1ccncc1)N(C)Cc1cc2ccccc2n1C ZINC000639040447 1129277784 /nfs/dbraw/zinc/27/77/84/1129277784.db2.gz IIAWSVJVUSIHFC-AWEZNQCLSA-N 0 1 279.387 3.766 20 0 CHADMN Cc1scc(CNCc2nc3cc(C)ccc3n2C)c1C ZINC000639052720 1129278529 /nfs/dbraw/zinc/27/85/29/1129278529.db2.gz FSASAPHWYNZUAO-UHFFFAOYSA-N 0 1 299.443 3.850 20 0 CHADMN CN(CC1(c2ccccc2)CC1)[C@@H](c1nccn1C)C1CC1 ZINC000639081595 1129279848 /nfs/dbraw/zinc/27/98/48/1129279848.db2.gz JKPNBHJHTJZVTE-QGZVFWFLSA-N 0 1 295.430 3.535 20 0 CHADMN COC1CCC(=Nc2ncnc(Cl)c2C(C)C)CC1 ZINC001212878757 1129280987 /nfs/dbraw/zinc/28/09/87/1129280987.db2.gz VLXBVPSXNNDDIJ-NSHDSACASA-N 0 1 281.787 3.748 20 0 CHADMN Cc1ccc(C)c(CN(C)[C@H](C)c2cnc(C)nc2C)c1 ZINC000639107251 1129282486 /nfs/dbraw/zinc/28/24/86/1129282486.db2.gz ZHHAJMDQSNTKRB-OAHLLOKOSA-N 0 1 283.419 3.903 20 0 CHADMN Cc1cc(CNc2ccc(Cl)c(CN(C)C)c2)sn1 ZINC000639135557 1129285833 /nfs/dbraw/zinc/28/58/33/1129285833.db2.gz VPIXUUKNSWWTHJ-UHFFFAOYSA-N 0 1 295.839 3.779 20 0 CHADMN COC(=O)c1nc2ccc(-c3cc(C)cc(C)c3)cc2[nH]1 ZINC001239524397 1131363526 /nfs/dbraw/zinc/36/35/26/1131363526.db2.gz XRYSBOQURVZHTK-UHFFFAOYSA-N 0 1 280.327 3.633 20 0 CHADMN Oc1ccc(CN(Cc2cc(C3CC3)no2)CC2CC2)cc1 ZINC000639170417 1129287993 /nfs/dbraw/zinc/28/79/93/1129287993.db2.gz COSZRACVPAMHMY-UHFFFAOYSA-N 0 1 298.386 3.670 20 0 CHADMN CC[C@H](c1ccncc1)N(C)[C@@H](C)c1cnc(C)nc1C ZINC000639178544 1129289441 /nfs/dbraw/zinc/28/94/41/1129289441.db2.gz LRXNBFYOQSNKBV-SUMWQHHRSA-N 0 1 284.407 3.633 20 0 CHADMN Cc1csc(CNCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000379272440 1129290007 /nfs/dbraw/zinc/29/00/07/1129290007.db2.gz MXLXOHNEUXVUNX-UHFFFAOYSA-N 0 1 296.779 3.908 20 0 CHADMN Cc1cccc(CN(C)[C@@H](C)c2cnc(C)nc2C)c1C ZINC000639198780 1129291617 /nfs/dbraw/zinc/29/16/17/1129291617.db2.gz FNBCGYTVWDCXHR-HNNXBMFYSA-N 0 1 283.419 3.903 20 0 CHADMN CCSc1cccc(CNCc2cc(OC)ns2)c1 ZINC000639201503 1129291978 /nfs/dbraw/zinc/29/19/78/1129291978.db2.gz WFYOIQHFTPSXEK-UHFFFAOYSA-N 0 1 294.445 3.554 20 0 CHADMN COc1cc(C)c([C@@H](C)N2CC3(CC3(F)F)C2)cc1C ZINC000639293899 1129300806 /nfs/dbraw/zinc/30/08/06/1129300806.db2.gz BMCVCNQVYPMRBJ-GFCCVEGCSA-N 0 1 281.346 3.714 20 0 CHADMN CC(C)CC1(C(=O)OCc2nc(C(C)C)n[nH]2)CCCC1 ZINC000795453474 1129301826 /nfs/dbraw/zinc/30/18/26/1129301826.db2.gz NEYYEMQYEPMAES-UHFFFAOYSA-N 0 1 293.411 3.578 20 0 CHADMN CC(C)CC1(C(=O)OCc2n[nH]c(C(C)C)n2)CCCC1 ZINC000795453474 1129301830 /nfs/dbraw/zinc/30/18/30/1129301830.db2.gz NEYYEMQYEPMAES-UHFFFAOYSA-N 0 1 293.411 3.578 20 0 CHADMN COc1cc(CN[C@@H]2CCCc3c(C)cccc32)sn1 ZINC000639327174 1129302797 /nfs/dbraw/zinc/30/27/97/1129302797.db2.gz LENLJACABQEUOX-OAHLLOKOSA-N 0 1 288.416 3.627 20 0 CHADMN Cc1n[nH]c(C(=O)NC[C@H]2CCCC[C@@H]2C(C)(C)C)c1C ZINC000734427956 1129308156 /nfs/dbraw/zinc/30/81/56/1129308156.db2.gz HPIDIGDDXWHAME-KGLIPLIRSA-N 0 1 291.439 3.609 20 0 CHADMN COCC1(C2CC2)CN(Cc2ccc(Cl)c(C)c2)C1 ZINC000639382877 1129308846 /nfs/dbraw/zinc/30/88/46/1129308846.db2.gz KDNYJWAAZGFVPE-UHFFFAOYSA-N 0 1 279.811 3.507 20 0 CHADMN COCc1nc(CN2CCC[C@H](C3CCC3)CC2)cs1 ZINC000639391830 1129309974 /nfs/dbraw/zinc/30/99/74/1129309974.db2.gz LFMXUYULEAJMMD-AWEZNQCLSA-N 0 1 294.464 3.692 20 0 CHADMN CN(C)Cc1ccc(-c2cccc(C(F)F)c2)nc1 ZINC001240691997 1129315789 /nfs/dbraw/zinc/31/57/89/1129315789.db2.gz WEWUMNHVLIQTTB-UHFFFAOYSA-N 0 1 262.303 3.748 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)Cc1cc[nH]c(=O)c1 ZINC000639455558 1129316462 /nfs/dbraw/zinc/31/64/62/1129316462.db2.gz RNBDCRWRLHCCPG-NSHDSACASA-N 0 1 276.767 3.634 20 0 CHADMN CC(C)CN(C)Cc1nnc(-c2cccc3ccccc32)o1 ZINC000639461720 1129317896 /nfs/dbraw/zinc/31/78/96/1129317896.db2.gz UZZHEZJAAATLHT-UHFFFAOYSA-N 0 1 295.386 3.978 20 0 CHADMN C[N@H+](Cc1cc(Cl)cc(Cl)c1F)C[C@H]1CCOC1 ZINC000639510763 1129320524 /nfs/dbraw/zinc/32/05/24/1129320524.db2.gz FKNIOHHBUUHMAT-SECBINFHSA-N 0 1 292.181 3.601 20 0 CHADMN CN(Cc1cc(Cl)cc(Cl)c1F)C[C@H]1CCOC1 ZINC000639510763 1129320530 /nfs/dbraw/zinc/32/05/30/1129320530.db2.gz FKNIOHHBUUHMAT-SECBINFHSA-N 0 1 292.181 3.601 20 0 CHADMN CC(C)N(Cc1ncc(Br)cc1F)C(C)C ZINC000639559014 1129323951 /nfs/dbraw/zinc/32/39/51/1129323951.db2.gz NESMRYCGKCISIE-UHFFFAOYSA-N 0 1 289.192 3.602 20 0 CHADMN CCCCCN(Cn1c2cc(C)ccc2oc1=O)C(C)C ZINC000734829763 1129324135 /nfs/dbraw/zinc/32/41/35/1129324135.db2.gz YZGOTNSHIIVBMV-UHFFFAOYSA-N 0 1 290.407 3.761 20 0 CHADMN COc1ccccc1[C@H](C)NCc1c(C)cc(C)nc1C ZINC000639562814 1129324574 /nfs/dbraw/zinc/32/45/74/1129324574.db2.gz XSDZWZJLGQNZLS-AWEZNQCLSA-N 0 1 284.403 3.866 20 0 CHADMN CC(C)(NCc1cc[nH]c(=O)c1)c1cccc(Cl)c1F ZINC000639589041 1129325190 /nfs/dbraw/zinc/32/51/90/1129325190.db2.gz INYHHXVQAITGMP-UHFFFAOYSA-N 0 1 294.757 3.605 20 0 CHADMN CC(=O)CN[C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000639577391 1129325591 /nfs/dbraw/zinc/32/55/91/1129325591.db2.gz HMLDXAASGOTAML-ZDUSSCGKSA-N 0 1 273.298 3.581 20 0 CHADMN CCC(F)(F)CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000639640353 1129327819 /nfs/dbraw/zinc/32/78/19/1129327819.db2.gz COEPYILHMLNRNO-OWCLPIDISA-N 0 1 295.373 3.536 20 0 CHADMN CCCCCC[C@@H](CC)C(=O)N1CCN(CCC)CC1 ZINC000735044293 1129329462 /nfs/dbraw/zinc/32/94/62/1129329462.db2.gz NBDOSSKZLZFIEP-MRXNPFEDSA-N 0 1 282.472 3.537 20 0 CHADMN FC(F)c1cccc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000639779175 1129332755 /nfs/dbraw/zinc/33/27/55/1129332755.db2.gz YRAGZOXJHCCKMI-AWEZNQCLSA-N 0 1 277.318 3.684 20 0 CHADMN FC(F)c1cccc(CN2CCC[C@H]2c2cn[nH]c2)c1 ZINC000639779175 1129332758 /nfs/dbraw/zinc/33/27/58/1129332758.db2.gz YRAGZOXJHCCKMI-AWEZNQCLSA-N 0 1 277.318 3.684 20 0 CHADMN CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000639782301 1129332774 /nfs/dbraw/zinc/33/27/74/1129332774.db2.gz TXJPZIJWMKZFBF-QGZVFWFLSA-N 0 1 285.391 3.534 20 0 CHADMN CC(C)Oc1cccc(CN2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000639782301 1129332780 /nfs/dbraw/zinc/33/27/80/1129332780.db2.gz TXJPZIJWMKZFBF-QGZVFWFLSA-N 0 1 285.391 3.534 20 0 CHADMN Clc1cnc(CN[C@H]2Cc3ccc(Cl)cc3C2)s1 ZINC000719402278 1129332924 /nfs/dbraw/zinc/33/29/24/1129332924.db2.gz MVOXISLBIUCLHO-NSHDSACASA-N 0 1 299.226 3.707 20 0 CHADMN Cc1ccc(CCCN2CCC[C@H]2c2ncccn2)cc1 ZINC000639871769 1129336717 /nfs/dbraw/zinc/33/67/17/1129336717.db2.gz QHUCQOCPEBDSOJ-KRWDZBQOSA-N 0 1 281.403 3.555 20 0 CHADMN O=C(CN(C1CC1)C1CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639894043 1129339047 /nfs/dbraw/zinc/33/90/47/1129339047.db2.gz ZDMFYQZVTLMMMO-PHIMTYICSA-N 0 1 289.341 3.551 20 0 CHADMN CC[C@@](C)(NCc1cc(C)ccn1)c1ccc(F)cc1 ZINC000639928939 1129340581 /nfs/dbraw/zinc/34/05/81/1129340581.db2.gz PNJWPVITNUOXBM-QGZVFWFLSA-N 0 1 272.367 3.944 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@@H](C3CCC3)CC2)s1 ZINC000640106413 1129349238 /nfs/dbraw/zinc/34/92/38/1129349238.db2.gz POPRCZGKVIKYDK-SMDDNHRTSA-N 0 1 279.453 3.810 20 0 CHADMN Oc1ccc(-c2ccc(C3=NCCC3)cc2)cc1F ZINC001240785833 1129353379 /nfs/dbraw/zinc/35/33/79/1129353379.db2.gz POWUXQGXBHBFGR-UHFFFAOYSA-N 0 1 255.292 3.781 20 0 CHADMN C[C@@H](NCc1ccc(F)nc1)c1cc2ccccc2o1 ZINC000785557400 1131368419 /nfs/dbraw/zinc/36/84/19/1131368419.db2.gz NUSICMBDMNKIGG-LLVKDONJSA-N 0 1 270.307 3.818 20 0 CHADMN C[C@H](CN(C)Cc1nnc(-c2ccccc2)o1)C(C)(C)C ZINC000640350138 1129355877 /nfs/dbraw/zinc/35/58/77/1129355877.db2.gz FIHVDPMFPSVZTF-CYBMUJFWSA-N 0 1 287.407 3.851 20 0 CHADMN Cc1cncc(-c2ccc3nc(C(F)(F)F)[nH]c3c2)c1 ZINC001240805600 1129359329 /nfs/dbraw/zinc/35/93/29/1129359329.db2.gz PTDNPGDYQXPEDX-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN CC[N@@H+](Cc1ccccc1)Cc1cccc(Cl)n1 ZINC000091439223 1129360512 /nfs/dbraw/zinc/36/05/12/1129360512.db2.gz JZPOYJPEZHNJEJ-UHFFFAOYSA-N 0 1 260.768 3.757 20 0 CHADMN CCN(Cc1ccccc1)Cc1cccc(Cl)n1 ZINC000091439223 1129360516 /nfs/dbraw/zinc/36/05/16/1129360516.db2.gz JZPOYJPEZHNJEJ-UHFFFAOYSA-N 0 1 260.768 3.757 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1c(C)cccc1F ZINC000766215050 1129363670 /nfs/dbraw/zinc/36/36/70/1129363670.db2.gz BELVRTJERXTLPF-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN O=C(c1cc(C(F)F)[nH]n1)N1CCCC2(CCCC2)CC1 ZINC000640680131 1129364552 /nfs/dbraw/zinc/36/45/52/1129364552.db2.gz VGNXHMPOOFPNSE-UHFFFAOYSA-N 0 1 297.349 3.534 20 0 CHADMN CCCCC[C@@H](CC)[N@H+]1CCc2cnc(OC)cc2C1 ZINC001258448639 1129372574 /nfs/dbraw/zinc/37/25/74/1129372574.db2.gz XCKPYNNOSDGFTB-MRXNPFEDSA-N 0 1 276.424 3.807 20 0 CHADMN C[C@@H](Cn1cc([C@@H](N)c2ccccc2)nn1)C1CCCCC1 ZINC000641121147 1129374341 /nfs/dbraw/zinc/37/43/41/1129374341.db2.gz FGTKSKJGQZHPDT-KSSFIOAISA-N 0 1 298.434 3.543 20 0 CHADMN CC1(C)CCCC[C@@H]1Cn1cc([C@H](N)c2ccccc2)nn1 ZINC000641161372 1129374935 /nfs/dbraw/zinc/37/49/35/1129374935.db2.gz XWBGSJNTPLGNSD-NVXWUHKLSA-N 0 1 298.434 3.543 20 0 CHADMN CCCCSCC(=O)Nc1cccc(Cl)c1O ZINC000736680614 1129378239 /nfs/dbraw/zinc/37/82/39/1129378239.db2.gz AJRZZNOODUIHLA-UHFFFAOYSA-N 0 1 273.785 3.517 20 0 CHADMN Fc1ccc2nc(N[C@@H]3CCCc4cn[nH]c43)sc2c1 ZINC000641445491 1129381346 /nfs/dbraw/zinc/38/13/46/1129381346.db2.gz RIFUSBQVJXWIHQ-LLVKDONJSA-N 0 1 288.351 3.648 20 0 CHADMN Fc1ccc2nc(N[C@H]3CCCc4cn[nH]c43)sc2c1 ZINC000641445492 1129381351 /nfs/dbraw/zinc/38/13/51/1129381351.db2.gz RIFUSBQVJXWIHQ-NSHDSACASA-N 0 1 288.351 3.648 20 0 CHADMN CC[C@@H](CC(F)(F)F)NCc1ccc(SC)o1 ZINC000641747234 1129389558 /nfs/dbraw/zinc/38/95/58/1129389558.db2.gz HWSUUUFPLLSGAG-QMMMGPOBSA-N 0 1 267.316 3.822 20 0 CHADMN CCOc1ccc([C@@H]2C[C@H]2NCc2cnc(C3CC3)o2)cc1 ZINC000641790959 1129392503 /nfs/dbraw/zinc/39/25/03/1129392503.db2.gz YKVQVZFDPJDTTB-DLBZAZTESA-N 0 1 298.386 3.596 20 0 CHADMN COc1ccc2nc(SCCC(=O)C(C)(C)C)[nH]c2c1 ZINC000739432017 1129404302 /nfs/dbraw/zinc/40/43/02/1129404302.db2.gz QFKFLWBLCPYAAQ-UHFFFAOYSA-N 0 1 292.404 3.669 20 0 CHADMN CCC[C@@H](C(=O)NOCc1ccccc1)c1ccccc1 ZINC000248232645 1129411043 /nfs/dbraw/zinc/41/10/43/1129411043.db2.gz LGYVFAFMFXIIHZ-QGZVFWFLSA-N 0 1 283.371 3.818 20 0 CHADMN COc1ccccc1[C@@H]1CCCN1Cc1ccoc1 ZINC000093008391 1129414976 /nfs/dbraw/zinc/41/49/76/1129414976.db2.gz FBFIYGQHGXHAKU-HNNXBMFYSA-N 0 1 257.333 3.625 20 0 CHADMN Fc1ccccc1CN(Cc1cncnc1)C1CCCCC1 ZINC000179462268 1129419153 /nfs/dbraw/zinc/41/91/53/1129419153.db2.gz ZNCVKWSAFPSIMR-UHFFFAOYSA-N 0 1 299.393 3.951 20 0 CHADMN CSc1cccc(NC(=O)c2cc(-c3ccoc3)n[nH]2)c1 ZINC000642653931 1129423757 /nfs/dbraw/zinc/42/37/57/1129423757.db2.gz WAPHGTUWNZDYCV-UHFFFAOYSA-N 0 1 299.355 3.644 20 0 CHADMN CC(C)[C@@H](C(=O)OCc1ccc(Cl)cc1)N1CCCC1 ZINC000741014675 1129426363 /nfs/dbraw/zinc/42/63/63/1129426363.db2.gz OXJVXYKPCMQIMX-HNNXBMFYSA-N 0 1 295.810 3.504 20 0 CHADMN CC(C)[C@H](C(=O)OCc1ccc(Cl)cc1)N1CCCC1 ZINC000741014676 1129426413 /nfs/dbraw/zinc/42/64/13/1129426413.db2.gz OXJVXYKPCMQIMX-OAHLLOKOSA-N 0 1 295.810 3.504 20 0 CHADMN C[C@H](OC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000741021773 1129426791 /nfs/dbraw/zinc/42/67/91/1129426791.db2.gz PKYDQNOXVQRIRR-KBXIAJHMSA-N 0 1 275.392 3.552 20 0 CHADMN Cc1cc(C)cc(COC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)c1 ZINC000741017697 1129426898 /nfs/dbraw/zinc/42/68/98/1129426898.db2.gz QIQSVYUSUXOWMH-XHSDSOJGSA-N 0 1 289.419 3.608 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H]1CCC=CO1 ZINC000248879341 1129429755 /nfs/dbraw/zinc/42/97/55/1129429755.db2.gz KIBNXWZFYTYKSR-WCQYABFASA-N 0 1 267.319 3.650 20 0 CHADMN CCc1cccc(-c2noc(-c3c(C)n[nH]c3C3CC3)n2)c1 ZINC001212959320 1129430894 /nfs/dbraw/zinc/43/08/94/1129430894.db2.gz FCFNXZSJDICJSG-UHFFFAOYSA-N 0 1 294.358 3.875 20 0 CHADMN CCc1nn(C)cc1CN(C)[C@H](C)c1cccc(Cl)c1 ZINC000179680239 1129430998 /nfs/dbraw/zinc/43/09/98/1129430998.db2.gz PXAMLMFPIYYPNY-GFCCVEGCSA-N 0 1 291.826 3.829 20 0 CHADMN CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179827297 1129433773 /nfs/dbraw/zinc/43/37/73/1129433773.db2.gz XBHRVLUXNRMOOV-RFAUZJTJSA-N 0 1 293.317 3.875 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000179973398 1129440720 /nfs/dbraw/zinc/44/07/20/1129440720.db2.gz LFVHDJAVTOWJBG-NXEZZACHSA-N 0 1 263.772 3.783 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@@H]1CCSc2c(F)cccc21 ZINC000180101206 1129450063 /nfs/dbraw/zinc/45/00/63/1129450063.db2.gz NZFRWBJHTISSDX-YMTOWFKASA-N 0 1 291.395 3.745 20 0 CHADMN CCCCOC(=O)[C@H](C)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000741789204 1129453008 /nfs/dbraw/zinc/45/30/08/1129453008.db2.gz XVPCPOPLOVMIGY-VYDXJSESSA-N 0 1 289.419 3.596 20 0 CHADMN Cc1nc(C)c(CN2CCc3c(C)cccc3C2)s1 ZINC000741783806 1129453201 /nfs/dbraw/zinc/45/32/01/1129453201.db2.gz BLDWXTODDFJYJC-UHFFFAOYSA-N 0 1 272.417 3.627 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1ccc2[nH]ccc2c1 ZINC000643889351 1129453447 /nfs/dbraw/zinc/45/34/47/1129453447.db2.gz XMBNYJDVEBHFOO-CYBMUJFWSA-N 0 1 265.360 3.756 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1ccccc1OC1CCCC1 ZINC000180161942 1129455238 /nfs/dbraw/zinc/45/52/38/1129455238.db2.gz ZKJFHYMDKCFVEK-ZDUSSCGKSA-N 0 1 299.418 3.890 20 0 CHADMN C[C@H]1c2c(F)cccc2CC[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000795917989 1129456420 /nfs/dbraw/zinc/45/64/20/1129456420.db2.gz KIZZYEMMCCZDQW-KBXCAEBGSA-N 0 1 299.389 3.869 20 0 CHADMN c1cc(-c2noc([C@@H]3CC[C@H]4CCCC[C@H]4N3)n2)cs1 ZINC000250187401 1129471899 /nfs/dbraw/zinc/47/18/99/1129471899.db2.gz UECHZSXNCDLMLR-RTXFEEFZSA-N 0 1 289.404 3.781 20 0 CHADMN Cc1ccc(OC(F)F)c(CN2CC[C@@H](C(F)F)C2)c1 ZINC000644680050 1129474286 /nfs/dbraw/zinc/47/42/86/1129474286.db2.gz RNGKXZWEABNWAP-SNVBAGLBSA-N 0 1 291.288 3.683 20 0 CHADMN C[C@@H](NCc1ccc(CO)o1)c1csc2ccccc21 ZINC000742370349 1129474604 /nfs/dbraw/zinc/47/46/04/1129474604.db2.gz NGHFNRPPHZNQDX-LLVKDONJSA-N 0 1 287.384 3.837 20 0 CHADMN CCC(CC)n1ccc(CN2CCC(C3CC3)CC2)n1 ZINC000644719293 1129476788 /nfs/dbraw/zinc/47/67/88/1129476788.db2.gz UBOZXHVURASIDV-UHFFFAOYSA-N 0 1 275.440 3.866 20 0 CHADMN Cc1cc(F)cc(CN(C)CCC(=O)c2cccs2)c1 ZINC001143619555 1129478352 /nfs/dbraw/zinc/47/83/52/1129478352.db2.gz UNZSYNJZHZJAPZ-UHFFFAOYSA-N 0 1 291.391 3.900 20 0 CHADMN Clc1ccc2ncc(CN3CCC(C4CC4)CC3)n2c1 ZINC000644837486 1129478585 /nfs/dbraw/zinc/47/85/85/1129478585.db2.gz KGBPUTVRHDDETB-UHFFFAOYSA-N 0 1 289.810 3.610 20 0 CHADMN c1ccc([C@@H]2CCCN(Cc3noc4c3CCCC4)C2)cc1 ZINC000645008700 1129483577 /nfs/dbraw/zinc/48/35/77/1129483577.db2.gz JXPNBJSVDJLQDI-MRXNPFEDSA-N 0 1 296.414 3.933 20 0 CHADMN CCc1ccc(CN2CCS[C@H](c3ccccc3)C2)nc1 ZINC000645087785 1129486995 /nfs/dbraw/zinc/48/69/95/1129486995.db2.gz XMTAEOTZXCRTRJ-SFHVURJKSA-N 0 1 298.455 3.934 20 0 CHADMN Cc1nc(C(C)C)ccc1CN1CCC(F)(F)CC1 ZINC000645134727 1129488577 /nfs/dbraw/zinc/48/85/77/1129488577.db2.gz BHNXYFMOOQRHSB-UHFFFAOYSA-N 0 1 268.351 3.745 20 0 CHADMN Cc1sccc1CN[C@H](Cn1cccn1)c1ccccc1 ZINC000645157523 1129489330 /nfs/dbraw/zinc/48/93/30/1129489330.db2.gz SWXNUTJYVIJEEQ-QGZVFWFLSA-N 0 1 297.427 3.784 20 0 CHADMN CCOc1ccc(Cl)c(-n2c(N)nc3ccccc32)c1 ZINC001212574782 1129494931 /nfs/dbraw/zinc/49/49/31/1129494931.db2.gz WUPKXGSYCYQDQL-UHFFFAOYSA-N 0 1 287.750 3.660 20 0 CHADMN C[C@H]1CN(CC2=CCCC2)C[C@H](c2ccccc2)O1 ZINC000645781172 1129506745 /nfs/dbraw/zinc/50/67/45/1129506745.db2.gz ICDQQJLWJUZDDH-WMLDXEAASA-N 0 1 257.377 3.559 20 0 CHADMN Cc1ccc(CN(Cc2nccn2C)CC(C)C)c(C)c1 ZINC000645971849 1129515287 /nfs/dbraw/zinc/51/52/87/1129515287.db2.gz DYEFDVXERXYVSW-UHFFFAOYSA-N 0 1 285.435 3.695 20 0 CHADMN CCc1ccc(CNC2(c3ccccc3C)CC2)nc1 ZINC000645980691 1129515906 /nfs/dbraw/zinc/51/59/06/1129515906.db2.gz COHXXRYWSVTAAU-UHFFFAOYSA-N 0 1 266.388 3.731 20 0 CHADMN Cc1ncc(CN(Cc2ccc(C)nc2)CC2CC2)s1 ZINC000646019207 1129517075 /nfs/dbraw/zinc/51/70/75/1129517075.db2.gz VJTZKWRVSUCACV-UHFFFAOYSA-N 0 1 287.432 3.567 20 0 CHADMN COCc1cccc(CNC2(c3ccccc3OC)CC2)c1 ZINC000646001195 1129517556 /nfs/dbraw/zinc/51/75/56/1129517556.db2.gz JHWMHMWTUGLAQE-UHFFFAOYSA-N 0 1 297.398 3.621 20 0 CHADMN CC1(C)CCC[C@H]1[C@H]1CCN(Cc2nnc(C3CC3)o2)C1 ZINC000646049736 1129518732 /nfs/dbraw/zinc/51/87/32/1129518732.db2.gz UJSSAQILRUIVJG-KBPBESRZSA-N 0 1 289.423 3.595 20 0 CHADMN OCC[C@H](NCc1ccc2c(c1)CCC2)c1ccccc1F ZINC000646068211 1129520046 /nfs/dbraw/zinc/52/00/46/1129520046.db2.gz MSOWAOPPYUOLSJ-IBGZPJMESA-N 0 1 299.389 3.528 20 0 CHADMN CCc1ccc(CN[C@H](CCO)c2ccccc2F)cc1 ZINC000646067779 1129520388 /nfs/dbraw/zinc/52/03/88/1129520388.db2.gz AFMBDUVTZJGQTA-GOSISDBHSA-N 0 1 287.378 3.601 20 0 CHADMN CCc1nnc(CN2CC[C@@H]([C@H]3CCCC3(C)C)C2)s1 ZINC000646052296 1129520422 /nfs/dbraw/zinc/52/04/22/1129520422.db2.gz KJCYWSAWIGQDMI-CHWSQXEVSA-N 0 1 293.480 3.749 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H]2CC[C@H]3CCCC[C@H]3C2)n1 ZINC000251309893 1129522376 /nfs/dbraw/zinc/52/23/76/1129522376.db2.gz JVSBJHJRHMLFJW-RQJABVFESA-N 0 1 277.412 3.799 20 0 CHADMN Cc1nc2c(s1)CN([C@@H]1C[C@H](C)CC(C)(C)C1)C2 ZINC001258700715 1129524527 /nfs/dbraw/zinc/52/45/27/1129524527.db2.gz BCZXFBVPGIXIQQ-CMPLNLGQSA-N 0 1 264.438 3.982 20 0 CHADMN COc1ccnc(CNC2(c3ccc(C)cc3)CCC2)c1 ZINC000646131254 1129525570 /nfs/dbraw/zinc/52/55/70/1129525570.db2.gz HINWEGJVRKMAIW-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN c1nc(CN2CCCC[C@@H]2C2CCC2)oc1C1CC1 ZINC000646139326 1129526217 /nfs/dbraw/zinc/52/62/17/1129526217.db2.gz OPQOPRZYVSDEFD-CQSZACIVSA-N 0 1 260.381 3.707 20 0 CHADMN c1ccc2cc(CN3C[C@@]4(CCCO4)[C@@H]3C3CC3)ccc2c1 ZINC000646295318 1129531594 /nfs/dbraw/zinc/53/15/94/1129531594.db2.gz MSYSQEXCKOXYBS-PMACEKPBSA-N 0 1 293.410 3.983 20 0 CHADMN O=C(CC1CCCCC1)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000646462988 1129537578 /nfs/dbraw/zinc/53/75/78/1129537578.db2.gz RJXOHWHMCBYSNR-UHFFFAOYSA-N 0 1 299.374 3.691 20 0 CHADMN CCC[C@@]1(C)CCCN(C[C@H](O)c2c(F)cccc2F)C1 ZINC000743872645 1129541797 /nfs/dbraw/zinc/54/17/97/1129541797.db2.gz WVDQNGCIIVHHHG-RDJZCZTQSA-N 0 1 297.389 3.900 20 0 CHADMN Cc1ccc(-c2nnc(CN3CCC4(CCCC4)C3)o2)cc1 ZINC000743865195 1129542068 /nfs/dbraw/zinc/54/20/68/1129542068.db2.gz YCNIQSOJDXNVIH-UHFFFAOYSA-N 0 1 297.402 3.811 20 0 CHADMN CC(=CC(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000743936459 1129544441 /nfs/dbraw/zinc/54/44/41/1129544441.db2.gz BECLWIFHRZTAQL-XFXZXTDPSA-N 0 1 277.327 3.605 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)CN(CC1CC(F)(F)C1)CC3 ZINC000828287398 1131381575 /nfs/dbraw/zinc/38/15/75/1131381575.db2.gz WCAILUWPMPIKDY-UHFFFAOYSA-N 0 1 290.357 3.880 20 0 CHADMN Cc1cc(C)c(/C=C\c2nc(C3(N)CCC3)no2)cc1C ZINC000647140866 1129551656 /nfs/dbraw/zinc/55/16/56/1129551656.db2.gz SFXLVFYMMUSNLX-WAYWQWQTSA-N 0 1 283.375 3.503 20 0 CHADMN CC(C)Cc1cccc([C@H](C)c2nc([C@H]3CCCN3)no2)c1 ZINC000647145327 1129552173 /nfs/dbraw/zinc/55/21/73/1129552173.db2.gz SKFYKAGDAFEUIU-XJKSGUPXSA-N 0 1 299.418 3.844 20 0 CHADMN CC(C)=C[C@@H]1[C@@H](c2nc([C@H](N)CC(C)C)no2)C1(C)C ZINC000647133232 1129552349 /nfs/dbraw/zinc/55/23/49/1129552349.db2.gz PJWXOUPZVHFLQB-UPJWGTAASA-N 0 1 277.412 3.821 20 0 CHADMN C/C(=C\c1nc([C@@H]2CCCN2)no1)c1ccccc1Cl ZINC000647150993 1129553145 /nfs/dbraw/zinc/55/31/45/1129553145.db2.gz SYCITTVWTZGFEK-LXKVQUBZSA-N 0 1 289.766 3.708 20 0 CHADMN C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000252185726 1129556087 /nfs/dbraw/zinc/55/60/87/1129556087.db2.gz QUBUGHYIACSLGY-QMTHXVAHSA-N 0 1 288.218 3.901 20 0 CHADMN CCc1ncc(CNC2(c3ccccc3C)CC2)s1 ZINC000647224487 1129557754 /nfs/dbraw/zinc/55/77/54/1129557754.db2.gz KJXJCIAQYOJOAC-UHFFFAOYSA-N 0 1 272.417 3.793 20 0 CHADMN Cc1occc1CNC1(c2cccc(F)c2)CCC1 ZINC000647232797 1129559068 /nfs/dbraw/zinc/55/90/68/1129559068.db2.gz DHEYBALUVWJOFZ-UHFFFAOYSA-N 0 1 259.324 3.896 20 0 CHADMN C[C@@H](NC[C@@H]1CCCCC1(F)F)c1cc2n(n1)CCCC2 ZINC000647305322 1129566194 /nfs/dbraw/zinc/56/61/94/1129566194.db2.gz FSGVXDDTOXHZOQ-OLZOCXBDSA-N 0 1 297.393 3.696 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N(CC)Cc1nonc1C ZINC000744412496 1129576554 /nfs/dbraw/zinc/57/65/54/1129576554.db2.gz ZYYIINGOTQJXSY-MRXNPFEDSA-N 0 1 287.407 3.530 20 0 CHADMN CC(C)C[C@@H]1CCN(Cn2ccn(C(C)C)c2=S)C1 ZINC000744437066 1129576796 /nfs/dbraw/zinc/57/67/96/1129576796.db2.gz DOWBXKYSCMLLRP-AWEZNQCLSA-N 0 1 281.469 3.925 20 0 CHADMN Cc1cc(F)c(CN2CC[C@@H](c3ccccn3)C2)c(F)c1 ZINC000822476679 1131383522 /nfs/dbraw/zinc/38/35/22/1131383522.db2.gz SVMJCPZDZCZEPQ-CYBMUJFWSA-N 0 1 288.341 3.658 20 0 CHADMN CC1(CC(=O)Nc2n[nH]c3cc(O)ccc32)CCCCC1 ZINC000647801798 1129584931 /nfs/dbraw/zinc/58/49/31/1129584931.db2.gz VRFDIQNNFYDYGM-UHFFFAOYSA-N 0 1 287.363 3.568 20 0 CHADMN CCC[C@H](C)CC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000647826688 1129585747 /nfs/dbraw/zinc/58/57/47/1129585747.db2.gz SIJFKXHXJLONBF-NSHDSACASA-N 0 1 287.363 3.547 20 0 CHADMN Fc1ccc(CN2CCC[C@H](c3ccccn3)C2)c(F)c1 ZINC000647951121 1129589346 /nfs/dbraw/zinc/58/93/46/1129589346.db2.gz MLMGOBMAEICFEK-AWEZNQCLSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1nc(CN(C)[C@H](C)Cc2ccc(Cl)cc2)co1 ZINC000647964377 1129589865 /nfs/dbraw/zinc/58/98/65/1129589865.db2.gz GRIUKXAUTZLZNJ-LLVKDONJSA-N 0 1 278.783 3.699 20 0 CHADMN CCc1nocc1CN1CCCCC[C@H]1c1ccco1 ZINC000647964701 1129589899 /nfs/dbraw/zinc/58/98/99/1129589899.db2.gz VEHGASOXFUJBLV-HNNXBMFYSA-N 0 1 274.364 3.947 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@]3(C)C=CCC3)c2C)o1 ZINC000822520167 1131385329 /nfs/dbraw/zinc/38/53/29/1131385329.db2.gz ZOVCWYYSYPPAFE-MRXNPFEDSA-N 0 1 285.347 3.581 20 0 CHADMN CC[C@@H](C(=O)O[C@H](C)c1ccc(F)cc1F)N(CC)CC ZINC000745093865 1129593837 /nfs/dbraw/zinc/59/38/37/1129593837.db2.gz IXKZRXXBPRRTFD-ABAIWWIYSA-N 0 1 299.361 3.689 20 0 CHADMN CC(C)Oc1ccc(-c2ccc(CN(C)C)cn2)c(F)c1 ZINC001241647513 1129595635 /nfs/dbraw/zinc/59/56/35/1129595635.db2.gz FMWCWFIGUAPQCB-UHFFFAOYSA-N 0 1 288.366 3.737 20 0 CHADMN C[C@@H](NCc1ccc(Cl)cn1)c1cccc(F)c1 ZINC000182129897 1129597614 /nfs/dbraw/zinc/59/76/14/1129597614.db2.gz UCHWJGADFQMOBB-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN c1cc2nc(-c3ccc4[nH]cnc4c3)ccc2s1 ZINC001241685826 1129603343 /nfs/dbraw/zinc/60/33/43/1129603343.db2.gz RHMMRRASMMGAAH-UHFFFAOYSA-N 0 1 251.314 3.840 20 0 CHADMN Cc1cnccc1C[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000648376336 1129604670 /nfs/dbraw/zinc/60/46/70/1129604670.db2.gz QVKJSPJKKWYJEC-CYBMUJFWSA-N 0 1 270.351 3.648 20 0 CHADMN Cc1cnccc1CN1CCc2cc(F)ccc2[C@H]1C ZINC000648376336 1129604672 /nfs/dbraw/zinc/60/46/72/1129604672.db2.gz QVKJSPJKKWYJEC-CYBMUJFWSA-N 0 1 270.351 3.648 20 0 CHADMN Cc1cccc(CN[C@H](C)c2cnccc2C)c1F ZINC000648493997 1129608911 /nfs/dbraw/zinc/60/89/11/1129608911.db2.gz IEZYZYSIYGPDQJ-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1cccc(CN(CC(C)C)Cn2cc(Cl)cn2)c1 ZINC000746053137 1129624395 /nfs/dbraw/zinc/62/43/95/1129624395.db2.gz DFIOOIVLOVTQNT-UHFFFAOYSA-N 0 1 291.826 3.961 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1ccc(C(F)F)cc1 ZINC000185358583 1129631946 /nfs/dbraw/zinc/63/19/46/1129631946.db2.gz CNABYOUDMUZJLE-VIFPVBQESA-N 0 1 265.307 3.507 20 0 CHADMN CN(CCC(C)(C)C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000649027034 1129632476 /nfs/dbraw/zinc/63/24/76/1129632476.db2.gz QXFHYOSYJHTVEW-UHFFFAOYSA-N 0 1 285.391 3.585 20 0 CHADMN Fc1ccc(CN2CC[C@@H]3CCC[C@@H]32)c(Br)c1 ZINC000378763012 1129634093 /nfs/dbraw/zinc/63/40/93/1129634093.db2.gz KJBWLVIJNGGMCD-HZMBPMFUSA-N 0 1 298.199 3.963 20 0 CHADMN Fc1cc(Br)cc(CN2CC[C@@H]3CCC[C@@H]32)c1 ZINC000378718798 1129634743 /nfs/dbraw/zinc/63/47/43/1129634743.db2.gz BAQKLEJTUCIONE-FZMZJTMJSA-N 0 1 298.199 3.963 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H]1CCc2ccc(F)cc21 ZINC000187101302 1129635324 /nfs/dbraw/zinc/63/53/24/1129635324.db2.gz ILPUVRSRXKQRAW-BDJLRTHQSA-N 0 1 286.350 3.567 20 0 CHADMN CCN(CC)c1ccc(Nc2cc(OC)ccn2)cc1 ZINC001212968141 1129636589 /nfs/dbraw/zinc/63/65/89/1129636589.db2.gz LUQBQPHMTWMWHX-UHFFFAOYSA-N 0 1 271.364 3.680 20 0 CHADMN Cc1[nH]ncc1[C@H](C)Nc1cnn(-c2ccc(C)cc2C)c1 ZINC000191628921 1129641683 /nfs/dbraw/zinc/64/16/83/1129641683.db2.gz MGFKPOBUNFFKKJ-ZDUSSCGKSA-N 0 1 295.390 3.694 20 0 CHADMN CCCC[C@H]([NH2+][C@@H](C)c1nc(C)cc(=O)[n-]1)C1CCC1 ZINC000192777839 1129644292 /nfs/dbraw/zinc/64/42/92/1129644292.db2.gz UQMTXCCHGICCSV-JSGCOSHPSA-N 0 1 277.412 3.500 20 0 CHADMN CO[C@@H](C)c1cccc(-c2cc3[nH]ccc3cn2)c1 ZINC001242014773 1129645740 /nfs/dbraw/zinc/64/57/40/1129645740.db2.gz GTOTTXVALJERCY-NSHDSACASA-N 0 1 252.317 3.937 20 0 CHADMN CC(C)Oc1ccnc(CN(C)Cc2ccccc2)c1 ZINC000649480804 1129652856 /nfs/dbraw/zinc/65/28/56/1129652856.db2.gz USYMMYMVNJJBFT-UHFFFAOYSA-N 0 1 270.376 3.501 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(Cl)cc2)c(C)nn1 ZINC000720545346 1129654288 /nfs/dbraw/zinc/65/42/88/1129654288.db2.gz LXRABFDGKBZMPU-NSHDSACASA-N 0 1 275.783 3.598 20 0 CHADMN c1c(CN2CCC[C@]3(CC=CCC3)C2)nn2c1CCCC2 ZINC000649532759 1129655821 /nfs/dbraw/zinc/65/58/21/1129655821.db2.gz QDCXFDIIWIAXGS-GOSISDBHSA-N 0 1 285.435 3.542 20 0 CHADMN c1c(CN[C@@H](c2ccccc2)C2CCC2)nn2c1CCCC2 ZINC000649559217 1129657484 /nfs/dbraw/zinc/65/74/84/1129657484.db2.gz UMGXHCBMDGMWSN-IBGZPJMESA-N 0 1 295.430 3.850 20 0 CHADMN CC[C@H](OCCN1CC2(C1)CC(F)(F)C2)c1ccccc1 ZINC000649570776 1129658570 /nfs/dbraw/zinc/65/85/70/1129658570.db2.gz ODXOFDUQZKKVSE-HNNXBMFYSA-N 0 1 295.373 3.885 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cnc(C(F)(F)F)nc2)cc1 ZINC000649573608 1129659309 /nfs/dbraw/zinc/65/93/09/1129659309.db2.gz JSEJLJNZSXPQCI-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN CC[C@H](OCCN[C@@H](C)c1nccs1)c1ccccc1 ZINC000649583857 1129660868 /nfs/dbraw/zinc/66/08/68/1129660868.db2.gz AZAJUFSJQXMYRP-ZFWWWQNUSA-N 0 1 290.432 3.962 20 0 CHADMN COc1cc(Cl)ncc1Nc1ccc2[nH]c(C)nc2c1 ZINC001213073253 1129663800 /nfs/dbraw/zinc/66/38/00/1129663800.db2.gz LHDMVKQFNPWMCH-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN COc1cc(Cl)ncc1Nc1ccc2nc(C)[nH]c2c1 ZINC001213073253 1129663803 /nfs/dbraw/zinc/66/38/03/1129663803.db2.gz LHDMVKQFNPWMCH-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN C[C@@H](NCc1ccon1)[C@H](C)c1nc2ccccc2s1 ZINC000766419557 1129665209 /nfs/dbraw/zinc/66/52/09/1129665209.db2.gz MBQDTWRHASEZLO-WDEREUQCSA-N 0 1 287.388 3.566 20 0 CHADMN Cc1ccccc1C1(NCc2n[nH]c(C(C)(C)C)n2)CCC1 ZINC000649644878 1129665791 /nfs/dbraw/zinc/66/57/91/1129665791.db2.gz WEQOQWOEYDEJRF-UHFFFAOYSA-N 0 1 298.434 3.580 20 0 CHADMN c1c(CN2CCC23CCCC3)noc1-c1ccccc1 ZINC000649656177 1129666413 /nfs/dbraw/zinc/66/64/13/1129666413.db2.gz BYFGPWPYCOCJRT-UHFFFAOYSA-N 0 1 268.360 3.860 20 0 CHADMN Fc1ccccc1-n1ccc(CN2CCC23CCCC3)n1 ZINC000649657935 1129666671 /nfs/dbraw/zinc/66/66/71/1129666671.db2.gz RRZJDTGHVKFXAP-UHFFFAOYSA-N 0 1 285.366 3.530 20 0 CHADMN FC(F)(F)[C@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000828528883 1131389322 /nfs/dbraw/zinc/38/93/22/1131389322.db2.gz CEXMQZLQHAGIID-NSHDSACASA-N 0 1 277.717 3.767 20 0 CHADMN Cc1noc(C)c1CN(C)[C@H](C)CSc1ccccc1 ZINC000649664533 1129667535 /nfs/dbraw/zinc/66/75/35/1129667535.db2.gz KBLWNDUFQMNIEC-GFCCVEGCSA-N 0 1 290.432 3.904 20 0 CHADMN CCOc1ccc(-c2cc(F)c3c(c2)CN(C)CC3)cc1 ZINC001239564771 1131389668 /nfs/dbraw/zinc/38/96/68/1131389668.db2.gz NSBAEKHVYSJLHU-UHFFFAOYSA-N 0 1 285.362 3.879 20 0 CHADMN Cc1ccc(C(C)(C)Nc2cc(C)c3nc[nH]c3n2)cc1 ZINC001168800537 1129673327 /nfs/dbraw/zinc/67/33/27/1129673327.db2.gz VDXGDUAKYTXJGM-UHFFFAOYSA-N 0 1 280.375 3.922 20 0 CHADMN CC(=O)c1cccc(CN2CCC3(CC3(F)F)CC2)c1 ZINC000649773470 1129676273 /nfs/dbraw/zinc/67/62/73/1129676273.db2.gz UKNSLCWIXVWFEW-UHFFFAOYSA-N 0 1 279.330 3.510 20 0 CHADMN Fc1cccc(-c2cnc(CNC3(C4CCC4)CC3)o2)c1 ZINC000649808574 1129678473 /nfs/dbraw/zinc/67/84/73/1129678473.db2.gz IMPSQFGDVIHEPV-UHFFFAOYSA-N 0 1 286.350 3.903 20 0 CHADMN FC(F)(F)c1csc(CNC2(C3CCC3)CC2)n1 ZINC000649810517 1129679077 /nfs/dbraw/zinc/67/90/77/1129679077.db2.gz OQRFLKYMDCUBMR-UHFFFAOYSA-N 0 1 276.327 3.584 20 0 CHADMN C[C@@H](NC1(C2CCC2)CC1)c1nc(-c2cccs2)no1 ZINC000649807958 1129678994 /nfs/dbraw/zinc/67/89/94/1129678994.db2.gz LOYQMNCWNWEMRX-SNVBAGLBSA-N 0 1 289.404 3.781 20 0 CHADMN Cc1nc(CN2CCc3ccc(F)cc3[C@H](C)C2)cs1 ZINC000649893603 1129684145 /nfs/dbraw/zinc/68/41/45/1129684145.db2.gz LGEQWUXMVWHJFQ-LLVKDONJSA-N 0 1 290.407 3.752 20 0 CHADMN CCOC(=O)[C@H](CC(C)C)N(C)CCCc1ccccc1 ZINC001168941775 1129684930 /nfs/dbraw/zinc/68/49/30/1129684930.db2.gz UKUHZUMIEBHAAM-KRWDZBQOSA-N 0 1 291.435 3.529 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@@]2(CC2(F)F)C1 ZINC000649903614 1129685699 /nfs/dbraw/zinc/68/56/99/1129685699.db2.gz REFSWTHVMXSESN-NOZJJQNGSA-N 0 1 273.273 3.757 20 0 CHADMN CC(C)Oc1ccccc1-c1cccc2cncn21 ZINC001242224378 1129697908 /nfs/dbraw/zinc/69/79/08/1129697908.db2.gz SOFAOIRENLSLOM-UHFFFAOYSA-N 0 1 252.317 3.789 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H](C)c2ccc(Cl)cc2)n1 ZINC000650228045 1129701420 /nfs/dbraw/zinc/70/14/20/1129701420.db2.gz RVALWDXAAWASEE-MFKMUULPSA-N 0 1 293.798 3.921 20 0 CHADMN CCCNc1cc(C)nc(N[C@@H]2CCCC(F)(F)C2)n1 ZINC001169212332 1129708147 /nfs/dbraw/zinc/70/81/47/1129708147.db2.gz LSCSYXOZWLSXNY-LLVKDONJSA-N 0 1 284.354 3.597 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)CCCc1cccc2ccccc21 ZINC000650516972 1129711857 /nfs/dbraw/zinc/71/18/57/1129711857.db2.gz SWBCMKVUTAHFTJ-QGZVFWFLSA-N 0 1 285.387 3.567 20 0 CHADMN C[C@]1(CN2CCc3cc(F)ccc3C2)CC1(Cl)Cl ZINC000828603594 1131392866 /nfs/dbraw/zinc/39/28/66/1131392866.db2.gz GJQIQJIRVXHAHO-CYBMUJFWSA-N 0 1 288.193 3.768 20 0 CHADMN CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC001169340869 1129718792 /nfs/dbraw/zinc/71/87/92/1129718792.db2.gz BNDYOXHRZVCKOV-MLGOLLRUSA-N 0 1 297.826 3.596 20 0 CHADMN CCOc1cccc(Cl)c1CN1CC[C@@H](C)[C@H](OC)C1 ZINC001169340869 1129718795 /nfs/dbraw/zinc/71/87/95/1129718795.db2.gz BNDYOXHRZVCKOV-MLGOLLRUSA-N 0 1 297.826 3.596 20 0 CHADMN C[C@@H]1C[C@H](Nc2cccc(CN(C)C)n2)c2ccccc21 ZINC001169379637 1129723028 /nfs/dbraw/zinc/72/30/28/1129723028.db2.gz XRTKNYUDPZPJFH-DYVFJYSZSA-N 0 1 281.403 3.804 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNC2(C)CC(F)(F)C2)o1 ZINC000720949035 1129724038 /nfs/dbraw/zinc/72/40/38/1129724038.db2.gz HZFBAOUHMZLLKR-GXSJLCMTSA-N 0 1 255.308 3.680 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCc2cc(C)c(C)cc21 ZINC000804320640 1129724154 /nfs/dbraw/zinc/72/41/54/1129724154.db2.gz UTGYZUOLMSCAQS-UHFFFAOYSA-N 0 1 297.402 3.661 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000766691888 1129725813 /nfs/dbraw/zinc/72/58/13/1129725813.db2.gz NFUXBBRFVXAGKS-DZGCQCFKSA-N 0 1 291.439 3.900 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000380321301 1129729712 /nfs/dbraw/zinc/72/97/12/1129729712.db2.gz FLXGQRIAKHBLBM-JTQLQIEISA-N 0 1 282.771 3.869 20 0 CHADMN c1cc(N(Cc2cnc[nH]2)C2CCCCC2)cs1 ZINC000796457471 1129730975 /nfs/dbraw/zinc/73/09/75/1129730975.db2.gz UOLKDSQSBBVXHS-UHFFFAOYSA-N 0 1 261.394 3.811 20 0 CHADMN C[C@H](CNc1cnccc1/C=C/N(C)C)c1ccc(O)cc1 ZINC001169543408 1129732384 /nfs/dbraw/zinc/73/23/84/1129732384.db2.gz WFAVEDLGYKVKEB-CFRMROPGSA-N 0 1 297.402 3.535 20 0 CHADMN c1nn(-c2ccncc2)cc1N[C@H](C1CC1)C1CCCC1 ZINC000651303840 1129736993 /nfs/dbraw/zinc/73/69/93/1129736993.db2.gz NIQWMOJAOOCHBW-KRWDZBQOSA-N 0 1 282.391 3.648 20 0 CHADMN Cc1[nH]ncc1[C@@H](C)Nc1cccc(OC(C)C)c1 ZINC000651415629 1129738976 /nfs/dbraw/zinc/73/89/76/1129738976.db2.gz HFCYRFQCQUSOKU-LLVKDONJSA-N 0 1 259.353 3.678 20 0 CHADMN COc1cc(OC)c(CN[C@@H](C)c2ccccc2)cc1F ZINC000651667735 1129743674 /nfs/dbraw/zinc/74/36/74/1129743674.db2.gz PRJJSBREYRNXNX-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN CN1CCc2c(F)cc(-c3c(F)cccc3F)cc2C1 ZINC001239576053 1131394737 /nfs/dbraw/zinc/39/47/37/1131394737.db2.gz SVHVFYBIFRQYQB-UHFFFAOYSA-N 0 1 277.289 3.759 20 0 CHADMN CC(C)Oc1ccccc1CNCc1cc2cnccc2o1 ZINC000651684393 1129744430 /nfs/dbraw/zinc/74/44/30/1129744430.db2.gz LRFOIJSFWOGXHO-UHFFFAOYSA-N 0 1 296.370 3.905 20 0 CHADMN CC(C)(C)C[C@@H]1C[C@H]1NCc1nccn1Cc1ccccc1 ZINC000651911747 1129751090 /nfs/dbraw/zinc/75/10/90/1129751090.db2.gz VUJHYQUVGIRLNR-DLBZAZTESA-N 0 1 297.446 3.846 20 0 CHADMN CC[C@H]1CN(Cc2ccnc3ccccc23)[C@@H](CC)CO1 ZINC000651912085 1129751183 /nfs/dbraw/zinc/75/11/83/1129751183.db2.gz KKZYQOIBEULEHN-HOTGVXAUSA-N 0 1 284.403 3.624 20 0 CHADMN C[C@@H](O)[C@H](NCc1ccccc1C1CC1)c1ccccc1F ZINC000651892661 1129751467 /nfs/dbraw/zinc/75/14/67/1129751467.db2.gz FZUJXGQFOQUCRO-YJYMSZOUSA-N 0 1 299.389 3.915 20 0 CHADMN Cc1ccc(CN(C)C(C)(C)C)c(Br)c1 ZINC001137807419 1131417693 /nfs/dbraw/zinc/41/76/93/1131417693.db2.gz YKSHWZMDYJSSIN-UHFFFAOYSA-N 0 1 270.214 3.988 20 0 CHADMN Fc1ccc(/C=C/C[N@H+]2CC[C@@]3(CC3(F)F)C2)c(F)c1 ZINC000652063456 1129757578 /nfs/dbraw/zinc/75/75/78/1129757578.db2.gz MUNQZRPDSIMBEC-VSZDKKFSSA-N 0 1 285.284 3.709 20 0 CHADMN Fc1ccc(/C=C/CN2CC[C@@]3(CC3(F)F)C2)c(F)c1 ZINC000652063456 1129757580 /nfs/dbraw/zinc/75/75/80/1129757580.db2.gz MUNQZRPDSIMBEC-VSZDKKFSSA-N 0 1 285.284 3.709 20 0 CHADMN COCC1(N[C@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000652179062 1129759055 /nfs/dbraw/zinc/75/90/55/1129759055.db2.gz CXFLHVWJWGYNTP-CQSZACIVSA-N 0 1 282.387 3.578 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccc3ccsc32)nn1C ZINC000652219690 1129759680 /nfs/dbraw/zinc/75/96/80/1129759680.db2.gz IPBNJEGYRSVMIR-GFCCVEGCSA-N 0 1 285.416 3.794 20 0 CHADMN C[C@H]1C[C@H](NCc2cccc3ccsc32)c2nccn21 ZINC000652219550 1129760056 /nfs/dbraw/zinc/76/00/56/1129760056.db2.gz DDZRGOCPWTZXPG-FZMZJTMJSA-N 0 1 283.400 3.893 20 0 CHADMN C[C@@H](CC(=O)Nc1cc(N(C)C)ccn1)CC(C)(C)C ZINC001137799535 1131417923 /nfs/dbraw/zinc/41/79/23/1131417923.db2.gz BSDYWBLDHBEIDT-LBPRGKRZSA-N 0 1 277.412 3.549 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C)CC1 ZINC000652421206 1129764647 /nfs/dbraw/zinc/76/46/47/1129764647.db2.gz GGHWDINRKIYORC-GOEBONIOSA-N 0 1 275.392 3.633 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccccc2C(=O)[O-])[C@H]2CCCC[C@H]12 ZINC000652396226 1129765103 /nfs/dbraw/zinc/76/51/03/1129765103.db2.gz FXYMLCRDPSJBQE-UNEWFSDZSA-N 0 1 287.403 3.785 20 0 CHADMN Cc1c(C)c(C)c(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)c(C)c1C ZINC000652504023 1129765895 /nfs/dbraw/zinc/76/58/95/1129765895.db2.gz STWRSMLBCLFERI-HOTGVXAUSA-N 0 1 289.419 3.524 20 0 CHADMN Cc1cccc(CN2CC[C@H](F)C(F)(F)CC2)c1F ZINC001137672741 1131396766 /nfs/dbraw/zinc/39/67/66/1131396766.db2.gz WVTKLWVTUYWRCS-LBPRGKRZSA-N 0 1 275.289 3.703 20 0 CHADMN COc1ccc(C(C)C)cc1CN[C@@H](CO)c1ccccc1 ZINC000653599311 1129787834 /nfs/dbraw/zinc/78/78/34/1129787834.db2.gz HZIOBVIXVXZLDT-SFHVURJKSA-N 0 1 299.414 3.642 20 0 CHADMN Cc1cccc(CN2CC[C@H]2COCc2ccccc2)c1F ZINC001137677305 1131397927 /nfs/dbraw/zinc/39/79/27/1131397927.db2.gz LEOTYAPFXLFVJG-SFHVURJKSA-N 0 1 299.389 3.925 20 0 CHADMN Cc1ccnc([C@@H]2CCN(Cc3c(F)cccc3F)C2)c1 ZINC000653749624 1129793588 /nfs/dbraw/zinc/79/35/88/1129793588.db2.gz PSIYPSXMHQDYLD-CYBMUJFWSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1ccnc([C@@H]2CCN(Cc3ccc(F)cc3F)C2)c1 ZINC000653748433 1129793918 /nfs/dbraw/zinc/79/39/18/1129793918.db2.gz JUNYFJDPJHKBEF-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc(C2CC2)no1)C1CCC(F)(F)CC1 ZINC000653868416 1129798738 /nfs/dbraw/zinc/79/87/38/1129798738.db2.gz AQSSIZFANBXRAJ-ZJUUUORDSA-N 0 1 299.365 3.812 20 0 CHADMN C[C@@H](N[C@H](C)C1CCC(F)(F)CC1)c1nc(C2CC2)no1 ZINC000653868413 1129798797 /nfs/dbraw/zinc/79/87/97/1129798797.db2.gz AQSSIZFANBXRAJ-NXEZZACHSA-N 0 1 299.365 3.812 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@H]2CC2CCCC2)o1 ZINC000653892112 1129799899 /nfs/dbraw/zinc/79/98/99/1129799899.db2.gz ADSCFYQBAMLFOD-AWEZNQCLSA-N 0 1 277.412 3.738 20 0 CHADMN Cc1cccc(CN2CC[C@@H]2COCc2ccccc2)c1F ZINC001137677304 1131398446 /nfs/dbraw/zinc/39/84/46/1131398446.db2.gz LEOTYAPFXLFVJG-GOSISDBHSA-N 0 1 299.389 3.925 20 0 CHADMN Cc1ccc(Cl)cc1-c1noc([C@@H]2C[C@@H](C)CCN2)n1 ZINC000822803704 1131398601 /nfs/dbraw/zinc/39/86/01/1131398601.db2.gz OJYQUSDLCNFYOP-ZANVPECISA-N 0 1 291.782 3.759 20 0 CHADMN FC(F)(F)C1=CCN(CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822780791 1131398876 /nfs/dbraw/zinc/39/88/76/1131398876.db2.gz VBIGTGWDWDYWBB-VIFPVBQESA-N 0 1 288.140 3.765 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc(F)c(F)c1 ZINC001239584858 1131398899 /nfs/dbraw/zinc/39/88/99/1131398899.db2.gz XEQWWRZQWZRMHN-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN Cc1ccc(Cl)cc1-c1noc([C@H]2C[C@H](C)CCN2)n1 ZINC000822803697 1131398981 /nfs/dbraw/zinc/39/89/81/1131398981.db2.gz OJYQUSDLCNFYOP-NOZJJQNGSA-N 0 1 291.782 3.759 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000380405975 1129831519 /nfs/dbraw/zinc/83/15/19/1129831519.db2.gz CPDTWHSPBKQDAR-QGZVFWFLSA-N 0 1 281.440 3.780 20 0 CHADMN CCc1cc(CN[C@H](C)c2ccc(Cl)c(F)c2)[nH]n1 ZINC000768106077 1129832701 /nfs/dbraw/zinc/83/27/01/1129832701.db2.gz QPCJCYYGDCFNNF-SECBINFHSA-N 0 1 281.762 3.615 20 0 CHADMN CCc1cc(CN[C@H](C)c2ccc(Cl)c(F)c2)n[nH]1 ZINC000768106077 1129832706 /nfs/dbraw/zinc/83/27/06/1129832706.db2.gz QPCJCYYGDCFNNF-SECBINFHSA-N 0 1 281.762 3.615 20 0 CHADMN CCc1ccc(-c2ccccc2CN2CCOCC2)cc1 ZINC001239587535 1131401527 /nfs/dbraw/zinc/40/15/27/1131401527.db2.gz AJDGDSZMSHIWNQ-UHFFFAOYSA-N 0 1 281.399 3.748 20 0 CHADMN Cc1csc(CN[C@@H]2c3cc(C)ccc3C[C@H]2C)n1 ZINC000272275919 1129838391 /nfs/dbraw/zinc/83/83/91/1129838391.db2.gz MECPWUXNPDLVRG-BZNIZROVSA-N 0 1 272.417 3.783 20 0 CHADMN CCN(Cc1cc(C)oc1C)Cc1ccc2c(c1)OCO2 ZINC000768199077 1129838544 /nfs/dbraw/zinc/83/85/44/1129838544.db2.gz XUQXCQDXHIPCHM-UHFFFAOYSA-N 0 1 287.359 3.647 20 0 CHADMN C[C@H]1CCCCCN1Cc1cccc(Br)n1 ZINC000381440628 1129839394 /nfs/dbraw/zinc/83/93/94/1129839394.db2.gz ZFUDMIHKAWGGAJ-NSHDSACASA-N 0 1 283.213 3.609 20 0 CHADMN COc1cccc(CN2Cc3ccccc3[C@@H](C)C2)c1OC ZINC000768195002 1129842386 /nfs/dbraw/zinc/84/23/86/1129842386.db2.gz IPABVXPTEPKMHH-AWEZNQCLSA-N 0 1 297.398 3.823 20 0 CHADMN COc1ccc(CN2Cc3ccccc3[C@@H](C)C2)cc1OC ZINC000768196683 1129842691 /nfs/dbraw/zinc/84/26/91/1129842691.db2.gz UFRLYVYENMAKSD-AWEZNQCLSA-N 0 1 297.398 3.823 20 0 CHADMN Cc1cccc2ncc(CN3Cc4ccccc4[C@H](C)C3)n21 ZINC000768195615 1129843254 /nfs/dbraw/zinc/84/32/54/1129843254.db2.gz OPWOYIRSOIIUIG-CQSZACIVSA-N 0 1 291.398 3.762 20 0 CHADMN CCCN(Cc1ccncc1Br)[C@H](C)CC ZINC001137687830 1131401124 /nfs/dbraw/zinc/40/11/24/1131401124.db2.gz FGZAMOHKRDWSOG-LLVKDONJSA-N 0 1 285.229 3.855 20 0 CHADMN C[C@@H](CC(F)(F)F)N[C@@H](C)c1cccnc1Cl ZINC000768271152 1129848172 /nfs/dbraw/zinc/84/81/72/1129848172.db2.gz JPMGXIMVZPCEEV-YUMQZZPRSA-N 0 1 266.694 3.727 20 0 CHADMN CC(C)(O)[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000721869641 1129849860 /nfs/dbraw/zinc/84/98/60/1129849860.db2.gz LJTKZOPMXATLIT-LLVKDONJSA-N 0 1 288.218 3.586 20 0 CHADMN Cc1cc(CN2CCC(C(F)(F)F)CC2)c(C)o1 ZINC000768244484 1129849977 /nfs/dbraw/zinc/84/99/77/1129849977.db2.gz POGVQYQDPBXTGV-UHFFFAOYSA-N 0 1 261.287 3.671 20 0 CHADMN CCN(CCc1ccccc1)Cc1coc(C2CC2)n1 ZINC000768334281 1129851293 /nfs/dbraw/zinc/85/12/93/1129851293.db2.gz DGVWBKWLUQAHES-UHFFFAOYSA-N 0 1 270.376 3.617 20 0 CHADMN c1oc(C2CC2)nc1CN1CC[C@H](c2ccccc2)C1 ZINC000768361627 1129853486 /nfs/dbraw/zinc/85/34/86/1129853486.db2.gz STAOVKJUOLBWLU-HNNXBMFYSA-N 0 1 268.360 3.542 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2cccc3cc[nH]c32)no1 ZINC000768427454 1129856262 /nfs/dbraw/zinc/85/62/62/1129856262.db2.gz AWFISPHZYBTQOA-INIZCTEOSA-N 0 1 281.359 3.801 20 0 CHADMN Cc1cc(Cl)nc(CNCc2ccc3ncccc3c2)c1 ZINC000800284210 1129863661 /nfs/dbraw/zinc/86/36/61/1129863661.db2.gz AKKBJTFIRGDKGU-UHFFFAOYSA-N 0 1 297.789 3.881 20 0 CHADMN CC[C@H]1CN(Cc2cccc(C(C)(C)C)c2)[C@@H](C)CO1 ZINC001460339563 1129864741 /nfs/dbraw/zinc/86/47/41/1129864741.db2.gz OKQUPKRMELKYSJ-YOEHRIQHSA-N 0 1 275.436 3.983 20 0 CHADMN CC(C)COCCN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000800345374 1129866672 /nfs/dbraw/zinc/86/66/72/1129866672.db2.gz RGGINZLOGWZXTM-INIZCTEOSA-N 0 1 283.362 3.774 20 0 CHADMN CC[C@@H]1CCCN(Cc2c(Cl)nc3ccccn32)C1 ZINC000768844575 1129876586 /nfs/dbraw/zinc/87/65/86/1129876586.db2.gz BJYAOTXLXPIJMF-GFCCVEGCSA-N 0 1 277.799 3.610 20 0 CHADMN Cc1cc(CN2CCCC(C)(C)C2)cnc1Cl ZINC000768891279 1129879418 /nfs/dbraw/zinc/87/94/18/1129879418.db2.gz ILPSBOUHWPFRFA-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN CC(C)Oc1ccnc(N[C@@H](C)c2ccc(F)cn2)c1 ZINC001156679725 1129879769 /nfs/dbraw/zinc/87/97/69/1129879769.db2.gz RKFPRUKXWXJHKC-NSHDSACASA-N 0 1 275.327 3.576 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2cc(C)oc2C)on1 ZINC000768879165 1129879813 /nfs/dbraw/zinc/87/98/13/1129879813.db2.gz SVVSJBXCQWVKRF-CQSZACIVSA-N 0 1 260.337 3.530 20 0 CHADMN COc1cccc(CN2CC[C@H]2Cc2ccccc2)c1F ZINC000800512535 1129881283 /nfs/dbraw/zinc/88/12/83/1129881283.db2.gz JEUOCRJGHQNRSS-INIZCTEOSA-N 0 1 285.362 3.651 20 0 CHADMN CC(=C(F)C(=O)Nc1ccc(-c2ncc[nH]2)cc1)C1CC1 ZINC000900459710 1129884087 /nfs/dbraw/zinc/88/40/87/1129884087.db2.gz ZIMCPXLIKQHFHP-UVTDQMKNSA-N 0 1 285.322 3.669 20 0 CHADMN COc1ncc(Cl)cc1-c1ccc(C2=NCCC2)cc1 ZINC001242506926 1129890188 /nfs/dbraw/zinc/89/01/88/1129890188.db2.gz GRMQXWYFXDYMPL-UHFFFAOYSA-N 0 1 286.762 3.994 20 0 CHADMN C[C@@H]1Cc2ccccc2N1C1CCN(Cc2ccoc2)CC1 ZINC000769162736 1129893444 /nfs/dbraw/zinc/89/34/44/1129893444.db2.gz LLGYFNCIFGUCEQ-OAHLLOKOSA-N 0 1 296.414 3.695 20 0 CHADMN FC1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC001137708273 1131405747 /nfs/dbraw/zinc/40/57/47/1131405747.db2.gz OBFHHUOYIOASLW-UHFFFAOYSA-N 0 1 266.747 3.755 20 0 CHADMN Cc1ccsc1CN1CCc2c(F)cccc2C1 ZINC000769387829 1129905181 /nfs/dbraw/zinc/90/51/81/1129905181.db2.gz OMKHTKHNSGDEKZ-UHFFFAOYSA-N 0 1 261.365 3.754 20 0 CHADMN CC1(C(=O)Nc2cc(Cl)c(O)cc2F)CC(F)(F)C1 ZINC000822922910 1131406288 /nfs/dbraw/zinc/40/62/88/1131406288.db2.gz SMJIEPICYJKNMB-UHFFFAOYSA-N 0 1 293.672 3.559 20 0 CHADMN CC1(C)CN(Cc2cncc3ccccc32)C(C)(C)CO1 ZINC000769444643 1129910238 /nfs/dbraw/zinc/91/02/38/1129910238.db2.gz AMVVDCIGVUVWRF-UHFFFAOYSA-N 0 1 284.403 3.624 20 0 CHADMN CC(C)O[C@H]1CC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001137714629 1131406688 /nfs/dbraw/zinc/40/66/88/1131406688.db2.gz RWDJBKLENRQZGY-AWEZNQCLSA-N 0 1 292.810 3.821 20 0 CHADMN C[C@@H]1c2ccc(F)cc2CCN1Cc1ccc2c(c1)COC2 ZINC000769469108 1129912020 /nfs/dbraw/zinc/91/20/20/1129912020.db2.gz SWWHAJDOKPVMJU-CYBMUJFWSA-N 0 1 297.373 3.975 20 0 CHADMN CCCCn1nc(C)c(CN2C[C@@H](C)C[C@H]2C)c1Cl ZINC000769469825 1129912759 /nfs/dbraw/zinc/91/27/59/1129912759.db2.gz GNLMCDBARSPTPG-NWDGAFQWSA-N 0 1 283.847 3.875 20 0 CHADMN Cc1ccc(C)c(NC(=O)c2c(O)cccc2Cl)c1 ZINC000769570786 1129918146 /nfs/dbraw/zinc/91/81/46/1129918146.db2.gz TUSZAAYENICJCG-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN Cc1ccc(F)cc1NC(=O)c1c(O)cccc1Cl ZINC000769596918 1129918616 /nfs/dbraw/zinc/91/86/16/1129918616.db2.gz AJVRXOSUYAFBRF-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN O=C(Nc1ccccc1Cl)c1c(O)cccc1Cl ZINC000769583476 1129918628 /nfs/dbraw/zinc/91/86/28/1129918628.db2.gz CIMWRKRRKHLPNJ-UHFFFAOYSA-N 0 1 282.126 3.951 20 0 CHADMN C[C@H]1CCC[C@H]1CC(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000769584620 1129918761 /nfs/dbraw/zinc/91/87/61/1129918761.db2.gz HFLPOMMTYHWHGU-STQMWFEESA-N 0 1 292.398 3.652 20 0 CHADMN CC[C@H](N)c1cc(-c2ccccc2OC(C)C)no1 ZINC000901397829 1129920935 /nfs/dbraw/zinc/92/09/35/1129920935.db2.gz FUVKOMPVVDQLTC-LBPRGKRZSA-N 0 1 260.337 3.539 20 0 CHADMN CC(C)(C)c1n[nH]c(SC[C@@H]2CCCC3(CCC3)O2)n1 ZINC000901447712 1129926239 /nfs/dbraw/zinc/92/62/39/1129926239.db2.gz PGPJAGRCDRRTEH-NSHDSACASA-N 0 1 295.452 3.686 20 0 CHADMN CC(C)(C)c1nc(SC[C@@H]2CCCC3(CCC3)O2)n[nH]1 ZINC000901447712 1129926244 /nfs/dbraw/zinc/92/62/44/1129926244.db2.gz PGPJAGRCDRRTEH-NSHDSACASA-N 0 1 295.452 3.686 20 0 CHADMN Cc1cc(Br)ccc1CN(C)C/C=C/Cl ZINC000769856914 1129926832 /nfs/dbraw/zinc/92/68/32/1129926832.db2.gz YKUSVCBNIOECSI-ZZXKWVIFSA-N 0 1 288.616 3.942 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1ccccc1C ZINC000769858969 1129926959 /nfs/dbraw/zinc/92/69/59/1129926959.db2.gz FCONYKNRFFDPMA-LBPRGKRZSA-N 0 1 258.365 3.705 20 0 CHADMN Cc1ccc(F)c(CN(C)C[C@@H](O)c2ccccc2C)c1 ZINC000769910367 1129929282 /nfs/dbraw/zinc/92/92/82/1129929282.db2.gz UWJJOXNWIYZQEH-GOSISDBHSA-N 0 1 287.378 3.608 20 0 CHADMN Cc1ccc([C@@H](O)CN(C)Cc2cc(C)ccc2F)cc1 ZINC000769909036 1129929799 /nfs/dbraw/zinc/92/97/99/1129929799.db2.gz NNTYIQZAFMKVRU-SFHVURJKSA-N 0 1 287.378 3.608 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCCO[C@@H]1CCCC[C@H]1C ZINC000769876656 1129930065 /nfs/dbraw/zinc/93/00/65/1129930065.db2.gz UBWYIVYTPLOUIT-DVOMOZLQSA-N 0 1 294.439 3.791 20 0 CHADMN Cc1cn(C)nc1CSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000901539519 1129935237 /nfs/dbraw/zinc/93/52/37/1129935237.db2.gz ZWHWPKXTCQQEID-UHFFFAOYSA-N 0 1 298.415 3.719 20 0 CHADMN CCCc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)s1 ZINC000901551623 1129935755 /nfs/dbraw/zinc/93/57/55/1129935755.db2.gz HPBGWUAMNQRCQM-ZDUSSCGKSA-N 0 1 295.448 3.777 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000901592149 1129938240 /nfs/dbraw/zinc/93/82/40/1129938240.db2.gz OFCWQVGHRFDMAA-YOEHRIQHSA-N 0 1 287.403 3.809 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])[C@@H](C)CCc1cccc(F)c1 ZINC000901593126 1129938607 /nfs/dbraw/zinc/93/86/07/1129938607.db2.gz NBURDKXIURFGJG-AWEZNQCLSA-N 0 1 295.398 3.580 20 0 CHADMN O=C([O-])[C@H]([NH2+]Cc1ccccc1C1CC1)c1cccs1 ZINC000901598313 1129938673 /nfs/dbraw/zinc/93/86/73/1129938673.db2.gz NETGDXAFPSABLH-OAHLLOKOSA-N 0 1 287.384 3.541 20 0 CHADMN CC[C@H]1CCC[C@@H](C[N@@H+](CCC(=O)[O-])CC(C)C)C1 ZINC000901596768 1129938762 /nfs/dbraw/zinc/93/87/62/1129938762.db2.gz YRCLZVIPRDASNX-LSDHHAIUSA-N 0 1 269.429 3.636 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000901627014 1129939542 /nfs/dbraw/zinc/93/95/42/1129939542.db2.gz FHYLYALBAHKTSE-QGTPRVQTSA-N 0 1 299.414 3.663 20 0 CHADMN CC=C(C=CC(=O)Nc1ccc2c(C)[nH]nc2c1)CC ZINC000770259956 1129942867 /nfs/dbraw/zinc/94/28/67/1129942867.db2.gz YEAHATPEBDVCRI-IKQKLUSLSA-N 0 1 269.348 3.722 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C(F)=C3CCCC3)ccc12 ZINC000770259253 1129943158 /nfs/dbraw/zinc/94/31/58/1129943158.db2.gz REOKQZFWGXGDLP-UHFFFAOYSA-N 0 1 273.311 3.607 20 0 CHADMN CCC/C(C)=C\C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000770259276 1129943252 /nfs/dbraw/zinc/94/32/52/1129943252.db2.gz RLZIPTMJRZCNQX-NTMALXAHSA-N 0 1 257.337 3.556 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC[C@H]1CC1(Cl)Cl ZINC000822991136 1131409384 /nfs/dbraw/zinc/40/93/84/1131409384.db2.gz OSPXVWNAHHTHMF-HRDYMLBCSA-N 0 1 290.156 3.843 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C=Cc3ccccc3F)ccc12 ZINC000770256317 1129943878 /nfs/dbraw/zinc/94/38/78/1129943878.db2.gz BZMNOAKUUJUZIT-RMKNXTFCSA-N 0 1 295.317 3.662 20 0 CHADMN CCCCn1nc(C)c(CN2CC[C@H](CC)C2)c1Cl ZINC000770302708 1129944639 /nfs/dbraw/zinc/94/46/39/1129944639.db2.gz BPRXDFOKWAOKAS-ZDUSSCGKSA-N 0 1 283.847 3.877 20 0 CHADMN CC(C)[C@@H](C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000901700443 1129945620 /nfs/dbraw/zinc/94/56/20/1129945620.db2.gz JDHVCUGJATZXDO-SJLPKXTDSA-N 0 1 289.419 3.613 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000901745658 1129949409 /nfs/dbraw/zinc/94/94/09/1129949409.db2.gz BYAWUQJHVWTFAP-KBXCAEBGSA-N 0 1 299.414 3.735 20 0 CHADMN Fc1cccc2c1C[C@@H]([N@H+]1CC[C@@H](C(F)(F)F)C1)CC2 ZINC001170999788 1131409748 /nfs/dbraw/zinc/40/97/48/1131409748.db2.gz DCSXEXRMBFIOOB-NEPJUHHUSA-N 0 1 287.300 3.567 20 0 CHADMN CC(C)C(C[N@H+]1CCc2cccc(C(=O)[O-])c2C1)C(C)C ZINC000901779416 1129951811 /nfs/dbraw/zinc/95/18/11/1129951811.db2.gz UGLZWZFVWOBLAW-UHFFFAOYSA-N 0 1 289.419 3.671 20 0 CHADMN Fc1cccc(C2CCN(Cc3ccoc3)CC2)c1F ZINC000770664896 1129954299 /nfs/dbraw/zinc/95/42/99/1129954299.db2.gz VBFAFTRDGGZMNV-UHFFFAOYSA-N 0 1 277.314 3.937 20 0 CHADMN C[C@@H]1CN(CCSC(C)(C)C)C[C@@H](c2ccccc2)O1 ZINC000801916561 1129958218 /nfs/dbraw/zinc/95/82/18/1129958218.db2.gz XQCMAVVHSJGBSU-ZBFHGGJFSA-N 0 1 293.476 3.980 20 0 CHADMN COc1cccc2cc(CN[C@@H](C)c3cnccc3C)oc21 ZINC000770750943 1129958451 /nfs/dbraw/zinc/95/84/51/1129958451.db2.gz PJPDYQNMTNJONL-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN Cc1ccc(C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-])s1 ZINC000901840903 1129959414 /nfs/dbraw/zinc/95/94/14/1129959414.db2.gz QOHJALMCDBTBML-UHFFFAOYSA-N 0 1 283.437 3.625 20 0 CHADMN Cc1cc(F)ccc1C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000901841534 1129959480 /nfs/dbraw/zinc/95/94/80/1129959480.db2.gz ZDFKHBVNYBJDKX-UHFFFAOYSA-N 0 1 295.398 3.703 20 0 CHADMN Cc1ccc(NCCC(=O)c2ccccc2)c(CN(C)C)c1 ZINC001170018217 1129959887 /nfs/dbraw/zinc/95/98/87/1129959887.db2.gz LHEBZKWYAQDYLE-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN Fc1ccc(CN2CCC(c3cccs3)CC2)cn1 ZINC001137740832 1131410638 /nfs/dbraw/zinc/41/06/38/1131410638.db2.gz DNZNBRUJPSBQBR-UHFFFAOYSA-N 0 1 276.380 3.662 20 0 CHADMN CCCc1cccc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000901995656 1129970303 /nfs/dbraw/zinc/97/03/03/1129970303.db2.gz BFQVPQQZWUWUMN-QGZVFWFLSA-N 0 1 289.419 3.858 20 0 CHADMN CC(C)C(C[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)[O-])C(C)C ZINC000902005278 1129970573 /nfs/dbraw/zinc/97/05/73/1129970573.db2.gz YOXVDNJKEDFNLO-KRWDZBQOSA-N 0 1 291.435 3.542 20 0 CHADMN CC[C@H](C[N@@H+](CC(=O)[O-])C1CCCC1)c1ccccc1 ZINC000902040072 1129973270 /nfs/dbraw/zinc/97/32/70/1129973270.db2.gz WTPFSYLHCIUGAJ-CQSZACIVSA-N 0 1 275.392 3.509 20 0 CHADMN CCCC[C@@H](CC)CC[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000902039126 1129973374 /nfs/dbraw/zinc/97/33/74/1129973374.db2.gz ZHSOQRAHOHAMLQ-CQSZACIVSA-N 0 1 269.429 3.922 20 0 CHADMN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1C[C@H]1CC=CCC1 ZINC000902045704 1129974233 /nfs/dbraw/zinc/97/42/33/1129974233.db2.gz INFUVLPGQKQFAF-XIRDDKMYSA-N 0 1 291.435 3.698 20 0 CHADMN Clc1ccc2c(n1)[C@H](NCc1ccccc1)CC2 ZINC000771177572 1129974253 /nfs/dbraw/zinc/97/42/53/1129974253.db2.gz OKRZNKIVOAABRJ-CYBMUJFWSA-N 0 1 258.752 3.512 20 0 CHADMN CCCOc1ccc(CNCc2ccccc2NCC)cn1 ZINC000902216325 1129990314 /nfs/dbraw/zinc/99/03/14/1129990314.db2.gz ADXFGLFPNMEYJY-UHFFFAOYSA-N 0 1 299.418 3.592 20 0 CHADMN CCn1cnc(CN[C@H](C)c2cc3ccccc3s2)c1 ZINC000902217994 1129990376 /nfs/dbraw/zinc/99/03/76/1129990376.db2.gz XGVFHGHEAKCKCC-GFCCVEGCSA-N 0 1 285.416 3.969 20 0 CHADMN CCC[N@@H+](CCC(C)(C)C(=O)[O-])Cc1ccccc1F ZINC000902239452 1129992583 /nfs/dbraw/zinc/99/25/83/1129992583.db2.gz IUVHUHBJNCJTLV-UHFFFAOYSA-N 0 1 281.371 3.539 20 0 CHADMN CCn1cnc(CN[C@H](c2ccccc2C)C(C)C)c1 ZINC000902236124 1129992638 /nfs/dbraw/zinc/99/26/38/1129992638.db2.gz UIXOFJPZWUPHLJ-KRWDZBQOSA-N 0 1 271.408 3.698 20 0 CHADMN CNc1ccccc1CN[C@H](c1ncccc1C)C(C)C ZINC000902245320 1129993586 /nfs/dbraw/zinc/99/35/86/1129993586.db2.gz PGGPYJKUDQLPLL-KRWDZBQOSA-N 0 1 283.419 3.919 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC000902260335 1129994045 /nfs/dbraw/zinc/99/40/45/1129994045.db2.gz WNARRMSZOPZFNF-WBTMPAOCSA-N 0 1 291.391 3.636 20 0 CHADMN Cc1cn[nH]c1CS[C@@H](C)c1ccc(F)cc1 ZINC000902306518 1129998871 /nfs/dbraw/zinc/99/88/71/1129998871.db2.gz NWFKKEMQUMTUAH-JTQLQIEISA-N 0 1 250.342 3.852 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCC(C)C ZINC000772108174 1130005020 /nfs/dbraw/zinc/00/50/20/1130005020.db2.gz JEOLROAXOZMPOY-UHFFFAOYSA-N 0 1 272.348 3.506 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)C[C@H]2NCc1cccc(C)n1 ZINC000902756268 1130051854 /nfs/dbraw/zinc/05/18/54/1130051854.db2.gz DPVOJDLIGCHCST-ORAYPTAESA-N 0 1 296.414 3.812 20 0 CHADMN Clc1ccc(-c2noc([C@H]3CCCCN3)n2)c(Cl)c1 ZINC000823069127 1131413444 /nfs/dbraw/zinc/41/34/44/1131413444.db2.gz FZRMNWVRDHQJDT-LLVKDONJSA-N 0 1 298.173 3.858 20 0 CHADMN CCOc1cc(Cl)ccc1N[C@H]1CCCc2[nH]ncc21 ZINC000796892292 1130052192 /nfs/dbraw/zinc/05/21/92/1130052192.db2.gz WNTDIXBQMGRQQY-LBPRGKRZSA-N 0 1 291.782 3.951 20 0 CHADMN CC(C)(CC[N@H+]1CCCC2(CCCC2)CC1)C(=O)[O-] ZINC000902473575 1130014685 /nfs/dbraw/zinc/01/46/85/1130014685.db2.gz CAJIDRQELHYUNN-UHFFFAOYSA-N 0 1 267.413 3.534 20 0 CHADMN CCn1cnc(CN[C@H]2c3ccccc3CCC[C@@H]2C)c1 ZINC000902490736 1130017071 /nfs/dbraw/zinc/01/70/71/1130017071.db2.gz VDKSTLNMMFWUBE-KBXCAEBGSA-N 0 1 283.419 3.706 20 0 CHADMN CC(C)C[C@@H](NCc1csc(N)n1)c1ccccc1 ZINC000902488198 1130017175 /nfs/dbraw/zinc/01/71/75/1130017175.db2.gz GBPZSHBMPYMPMH-CQSZACIVSA-N 0 1 275.421 3.602 20 0 CHADMN CCCNc1ccc(CNCc2ccc(OCC)o2)cc1 ZINC000902528598 1130019265 /nfs/dbraw/zinc/01/92/65/1130019265.db2.gz RDFMEQZWODUGAP-UHFFFAOYSA-N 0 1 288.391 3.790 20 0 CHADMN CC(C)C[C@H]1CCCCC[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000902524773 1130019522 /nfs/dbraw/zinc/01/95/22/1130019522.db2.gz RWIANFWORSGXQU-OAHLLOKOSA-N 0 1 290.407 3.571 20 0 CHADMN CC(C)[C@H](c1ccccc1)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000902517249 1130019660 /nfs/dbraw/zinc/01/96/60/1130019660.db2.gz PHJDQXIYSIZYKN-OAHLLOKOSA-N 0 1 277.408 3.816 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902523438 1130020229 /nfs/dbraw/zinc/02/02/29/1130020229.db2.gz KIDHZTPLXRNSPT-MYSGNRETSA-N 0 1 291.391 3.778 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902521930 1130020528 /nfs/dbraw/zinc/02/05/28/1130020528.db2.gz VNGXCKJQMXCPQY-SSBZQZJYSA-N 0 1 291.391 3.778 20 0 CHADMN Cc1oc(C[N@H+](C)[C@H](C)C2CCCCC2)cc1C(=O)[O-] ZINC000902545980 1130022103 /nfs/dbraw/zinc/02/21/03/1130022103.db2.gz OLQZWKYXZXXJRF-LLVKDONJSA-N 0 1 279.380 3.687 20 0 CHADMN COc1cc(-c2cc3nc[nH]c3c(C)c2)cc(OC)c1OC ZINC001239641721 1130029969 /nfs/dbraw/zinc/02/99/69/1130029969.db2.gz UDGWFYCVQJMXNZ-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN CNc1ccccc1CN[C@H](c1ccccn1)C1CCC1 ZINC000902624768 1130032082 /nfs/dbraw/zinc/03/20/82/1130032082.db2.gz QNVSZYBSKPSBJW-SFHVURJKSA-N 0 1 281.403 3.754 20 0 CHADMN C[C@@H](NCc1ccnc(N(C)C)c1)c1cc2ccccc2o1 ZINC000785524094 1130039113 /nfs/dbraw/zinc/03/91/13/1130039113.db2.gz RYEMPHMDFAYQRH-CYBMUJFWSA-N 0 1 295.386 3.745 20 0 CHADMN O=C(OCCSc1ccccc1)c1cccc2[nH]ncc21 ZINC000785590086 1130040606 /nfs/dbraw/zinc/04/06/06/1130040606.db2.gz XYNGEZCWZLWSLJ-UHFFFAOYSA-N 0 1 298.367 3.512 20 0 CHADMN COC(=O)c1ccc([C@@H](C)NCc2ccoc2C)c(C)c1 ZINC000902771817 1130055082 /nfs/dbraw/zinc/05/50/82/1130055082.db2.gz LFRVCHKKJFXJIH-GFCCVEGCSA-N 0 1 287.359 3.534 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)C1CCCCC1)c1cn(C)nn1 ZINC000902770393 1130055459 /nfs/dbraw/zinc/05/54/59/1130055459.db2.gz KVVWYNUQMTUYPG-RDTXWAMCSA-N 0 1 298.434 3.787 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OC1(C2CC2)CC1 ZINC000772673196 1130068798 /nfs/dbraw/zinc/06/87/98/1130068798.db2.gz ZSPQPYUEVWHVAH-UHFFFAOYSA-N 0 1 296.370 3.793 20 0 CHADMN COc1ccc(-c2ccc3nc(C(F)(F)F)[nH]c3c2)cn1 ZINC001239726958 1130076893 /nfs/dbraw/zinc/07/68/93/1130076893.db2.gz NMPRAVOTOLQNHS-UHFFFAOYSA-N 0 1 293.248 3.652 20 0 CHADMN CCc1ccccc1-c1nc[nH]c2nc(=S)sc1-2 ZINC001239745350 1130087015 /nfs/dbraw/zinc/08/70/15/1130087015.db2.gz QYSNLWJRVNNKFX-UHFFFAOYSA-N 0 1 273.386 3.604 20 0 CHADMN C[C@H](OC(=O)Cc1[nH]nc2ccccc21)c1cccc(F)c1 ZINC000746582920 1130093057 /nfs/dbraw/zinc/09/30/57/1130093057.db2.gz IYRDYOXPLMEXIP-NSHDSACASA-N 0 1 298.317 3.549 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)O[C@H](C)C(F)F ZINC000786516087 1130106146 /nfs/dbraw/zinc/10/61/46/1130106146.db2.gz UOOARPKCBXMWGY-SNVBAGLBSA-N 0 1 294.301 3.504 20 0 CHADMN CC(C)[C@H](N[C@@H]1CC[C@@H](C)c2ccccc21)c1nncn1C ZINC000903062529 1130107314 /nfs/dbraw/zinc/10/73/14/1130107314.db2.gz VQJZUAKQFFABHT-XYPHTWIQSA-N 0 1 298.434 3.740 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc(O)c1)c1cnn(CC2CCC2)c1 ZINC000903091211 1130110053 /nfs/dbraw/zinc/11/00/53/1130110053.db2.gz PITNPXWPXQZFTL-ZIAGYGMSSA-N 0 1 299.418 3.801 20 0 CHADMN CCCOc1ccc(CN[C@H](c2ccccn2)C2CC2)cn1 ZINC000903093542 1130110850 /nfs/dbraw/zinc/11/08/50/1130110850.db2.gz SNNDXKHTFCWPJV-SFHVURJKSA-N 0 1 297.402 3.506 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000903114105 1130115460 /nfs/dbraw/zinc/11/54/60/1130115460.db2.gz UDTYMMRMAXLARS-LSDHHAIUSA-N 0 1 298.434 3.798 20 0 CHADMN COc1cccc(-c2cc3nc[nH]c3c(C)c2)c1OC ZINC001239815769 1130120881 /nfs/dbraw/zinc/12/08/81/1130120881.db2.gz PHPPOQBZFSPVHY-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN COc1cccc(-c2cccc3nc(C)[nH]c32)c1OC ZINC001239816990 1130121702 /nfs/dbraw/zinc/12/17/02/1130121702.db2.gz NKQPWFALPNVVLJ-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN c1c[nH]c([C@@H](NC[C@@]23C[C@@H]2CCCC3)c2ccccc2)n1 ZINC000903162297 1130122096 /nfs/dbraw/zinc/12/20/96/1130122096.db2.gz CFDKSOKHOUHOFV-XYJFISCASA-N 0 1 281.403 3.669 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc3c(c2)ncn3C)oc1C ZINC000903202329 1130129245 /nfs/dbraw/zinc/12/92/45/1130129245.db2.gz AGGCYGBPQNPAPC-LBPRGKRZSA-N 0 1 283.375 3.634 20 0 CHADMN c1ccc([C@@H](N[C@@H]2CCCc3cccnc32)C2CC2)nc1 ZINC000903226338 1130132593 /nfs/dbraw/zinc/13/25/93/1130132593.db2.gz LAPFFBIDSZPYTD-AEFFLSMTSA-N 0 1 279.387 3.595 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2nccnc2C)cc1C ZINC000903234015 1130133376 /nfs/dbraw/zinc/13/33/76/1130133376.db2.gz LOQRHMLBDXIUDA-OCCSQVGLSA-N 0 1 285.391 3.514 20 0 CHADMN COCCN(C/C=C/Cl)Cc1ccc(C)cc1C ZINC000746660539 1130138265 /nfs/dbraw/zinc/13/82/65/1130138265.db2.gz XROUDKBRMVJGIF-QPJJXVBHSA-N 0 1 267.800 3.504 20 0 CHADMN CC(C)c1nc([C@@H](C)NCC2(C3(O)CCC3)CC2)cs1 ZINC000903257421 1130138836 /nfs/dbraw/zinc/13/88/36/1130138836.db2.gz GPOHJURQKXSAEX-GFCCVEGCSA-N 0 1 294.464 3.612 20 0 CHADMN CC(C)c1ccccc1-c1ccc(CN(C)C)cn1 ZINC001239866343 1130141437 /nfs/dbraw/zinc/14/14/37/1130141437.db2.gz GLAMPJGMXSGLMG-UHFFFAOYSA-N 0 1 254.377 3.934 20 0 CHADMN CC(C)c1ccccc1-c1cc2[nH]nnc2cc1F ZINC001239867332 1130142306 /nfs/dbraw/zinc/14/23/06/1130142306.db2.gz WKNYDDZDLCHIIZ-UHFFFAOYSA-N 0 1 255.296 3.887 20 0 CHADMN CC(C)c1ccccc1-c1ccc(N2CCN(C)CC2)cn1 ZINC001239867159 1130142407 /nfs/dbraw/zinc/14/24/07/1130142407.db2.gz BRXWGRDPFTVKMM-UHFFFAOYSA-N 0 1 295.430 3.624 20 0 CHADMN CCc1nc2c(s1)[C@@H](N[C@H](C)c1cncs1)CCC2 ZINC000903309046 1130150994 /nfs/dbraw/zinc/15/09/94/1130150994.db2.gz BUVGUOMIYRDINW-ZJUUUORDSA-N 0 1 293.461 3.890 20 0 CHADMN Cc1c([C@H](C)N[C@H](C)c2cncs2)cnn1C(C)(C)C ZINC000903310454 1130151102 /nfs/dbraw/zinc/15/11/02/1130151102.db2.gz JIGWXSIXQHXWDB-WDEREUQCSA-N 0 1 292.452 3.815 20 0 CHADMN COc1ccsc1[C@H](C)N[C@H](C)c1cncs1 ZINC000903312877 1130151591 /nfs/dbraw/zinc/15/15/91/1130151591.db2.gz ZTBJEOIYFGTUQP-BDAKNGLRSA-N 0 1 268.407 3.625 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(C(F)F)nc1)c1cncs1 ZINC000903312537 1130151854 /nfs/dbraw/zinc/15/18/54/1130151854.db2.gz WOBHUPIVCVYWDY-DTWKUNHWSA-N 0 1 283.347 3.888 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](c2ccccn2)C2CC2)s1 ZINC000903339494 1130162499 /nfs/dbraw/zinc/16/24/99/1130162499.db2.gz MAPUSGLZWWKIQM-MEBBXXQBSA-N 0 1 273.405 3.648 20 0 CHADMN COCc1ccccc1-c1cc2nc[nH]c2cc1F ZINC001239954401 1130169341 /nfs/dbraw/zinc/16/93/41/1130169341.db2.gz SNDZVLHSKHFICW-UHFFFAOYSA-N 0 1 256.280 3.515 20 0 CHADMN C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1ccncc1Cl ZINC000903430207 1130176423 /nfs/dbraw/zinc/17/64/23/1130176423.db2.gz VOLREYWCXAKWQU-BDJLRTHQSA-N 0 1 287.794 3.932 20 0 CHADMN CCCCNC(=O)c1ccc(-c2cc3[nH]ccc3cn2)cc1 ZINC001239983753 1130181504 /nfs/dbraw/zinc/18/15/04/1130181504.db2.gz XWAHQOLQOWHSFF-UHFFFAOYSA-N 0 1 293.370 3.760 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000903590835 1130182751 /nfs/dbraw/zinc/18/27/51/1130182751.db2.gz AQGWBAZLKWEHAF-KLZCAUPSSA-N 0 1 293.382 3.503 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000903627553 1130184297 /nfs/dbraw/zinc/18/42/97/1130184297.db2.gz LXWDVZSBKZKECN-BIMQEMHKSA-N 0 1 295.382 3.553 20 0 CHADMN CCc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000903602582 1130184770 /nfs/dbraw/zinc/18/47/70/1130184770.db2.gz JUSMCVKQBHZSCY-CZUORRHYSA-N 0 1 297.398 3.697 20 0 CHADMN C/C(=C/C[N@H+](CCCC(C)C)Cc1ccc(C)o1)C(=O)[O-] ZINC000903625642 1130185054 /nfs/dbraw/zinc/18/50/54/1130185054.db2.gz OHUPYNGJVRHUJA-ZROIWOOFSA-N 0 1 293.407 3.857 20 0 CHADMN Cc1cc([C@H](C)[N@H+]2CC[C@@H](C)C[C@@H](C)C2)oc1C(=O)[O-] ZINC000903631127 1130185700 /nfs/dbraw/zinc/18/57/00/1130185700.db2.gz MKXSOWLJZINCKE-WZRBSPASSA-N 0 1 279.380 3.715 20 0 CHADMN COc1cc(F)ccc1-c1ccc(F)c(CN(C)C)c1 ZINC001239999769 1130187482 /nfs/dbraw/zinc/18/74/82/1130187482.db2.gz FMSWMHZGURRUOR-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN CCC[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1ccccc1 ZINC000903692837 1130190068 /nfs/dbraw/zinc/19/00/68/1130190068.db2.gz DJRFNNRVSDBBEZ-UHFFFAOYSA-N 0 1 275.392 3.544 20 0 CHADMN CC(C)CC[N@@H+](CCC1(C(=O)[O-])CCC1)C1CCCC1 ZINC000903697083 1130190343 /nfs/dbraw/zinc/19/03/43/1130190343.db2.gz QMOAOYXOIVOKMO-UHFFFAOYSA-N 0 1 281.440 3.922 20 0 CHADMN CN(Cc1ccc(Cl)nc1)C[C@H]1CCC2(CCCC2)O1 ZINC000788481954 1130190605 /nfs/dbraw/zinc/19/06/05/1130190605.db2.gz KKBFMKFUAPCJOR-CQSZACIVSA-N 0 1 294.826 3.659 20 0 CHADMN CCC(CC)[N@@H+](CCC1(C(=O)[O-])CCC1)CC(C)C ZINC000903696449 1130190707 /nfs/dbraw/zinc/19/07/07/1130190707.db2.gz XACGEHAUHZKYPF-UHFFFAOYSA-N 0 1 269.429 3.778 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC000903696494 1130190709 /nfs/dbraw/zinc/19/07/09/1130190709.db2.gz HRRCDRWJAKOPCP-GFCCVEGCSA-N 0 1 295.810 3.978 20 0 CHADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC000903696001 1130190712 /nfs/dbraw/zinc/19/07/12/1130190712.db2.gz PHCCISVKZUUETE-INIZCTEOSA-N 0 1 289.419 3.585 20 0 CHADMN Cc1cccc(CN[C@H]2CCc3ccc(Cl)nc32)c1 ZINC000788505995 1130191022 /nfs/dbraw/zinc/19/10/22/1130191022.db2.gz LHBYVSKFHAVQIT-AWEZNQCLSA-N 0 1 272.779 3.821 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1ccc(N2CCCCC2)cc1 ZINC001240012961 1130193334 /nfs/dbraw/zinc/19/33/34/1130193334.db2.gz QWIFXIDUSHUFOV-UHFFFAOYSA-N 0 1 296.349 3.754 20 0 CHADMN Fc1cc2[nH]nnc2cc1-c1ccc(N2CCCCC2)cc1 ZINC001240012961 1130193335 /nfs/dbraw/zinc/19/33/35/1130193335.db2.gz QWIFXIDUSHUFOV-UHFFFAOYSA-N 0 1 296.349 3.754 20 0 CHADMN Cc1cc(-c2ccc(C(=O)NC(C)C)cc2)cc2nc[nH]c21 ZINC001240024044 1130197362 /nfs/dbraw/zinc/19/73/62/1130197362.db2.gz UABOOSXJLBTJMP-UHFFFAOYSA-N 0 1 293.370 3.677 20 0 CHADMN CCCC[C@@H](COC)N[C@@H]1COCc2cccc(Cl)c21 ZINC000788600467 1130197565 /nfs/dbraw/zinc/19/75/65/1130197565.db2.gz DHSCUOWKUDZMNQ-DZGCQCFKSA-N 0 1 297.826 3.706 20 0 CHADMN Fc1cc2[nH]ccc2c(-c2cc3nc[nH]c3cc2F)c1 ZINC001240042900 1130202993 /nfs/dbraw/zinc/20/29/93/1130202993.db2.gz YJYLWKHUZICRTP-UHFFFAOYSA-N 0 1 269.254 3.989 20 0 CHADMN CCCC[N@@H+](CC)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903885516 1130206963 /nfs/dbraw/zinc/20/69/63/1130206963.db2.gz PIHBROKGPNSTNP-UHFFFAOYSA-N 0 1 286.375 3.555 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@H](CCc2ccccc2)C(=O)[O-])cc1 ZINC000903885337 1130207530 /nfs/dbraw/zinc/20/75/30/1130207530.db2.gz LYAAWJCSBMFZIF-GOSISDBHSA-N 0 1 297.398 3.513 20 0 CHADMN CCC[N@H+](Cc1cncc(C(=O)[O-])c1)CC1CCCCC1 ZINC000903887938 1130208093 /nfs/dbraw/zinc/20/80/93/1130208093.db2.gz JOUUMQFBHJASBE-UHFFFAOYSA-N 0 1 290.407 3.572 20 0 CHADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000903901355 1130210343 /nfs/dbraw/zinc/21/03/43/1130210343.db2.gz GZSAGRMPHUMGSU-SSHXOBKSSA-N 0 1 293.451 3.636 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@H]1c2ccccc2NC1(C)C ZINC000903947727 1130211477 /nfs/dbraw/zinc/21/14/77/1130211477.db2.gz GGPYVLYUCDXMKZ-KRWDZBQOSA-N 0 1 298.434 3.807 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(Cl)c2)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903947887 1130211961 /nfs/dbraw/zinc/21/19/61/1130211961.db2.gz ANHTVXLGQJPWET-OXJKWZBOSA-N 0 1 295.810 3.660 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCCC(C)(C)C)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903953597 1130212598 /nfs/dbraw/zinc/21/25/98/1130212598.db2.gz ULCRFHKKFGIQKQ-RFGFWPKPSA-N 0 1 269.429 3.632 20 0 CHADMN COc1ccc(F)c(-c2ccc(CN(C)C)c(F)c2)c1 ZINC001240120431 1130217242 /nfs/dbraw/zinc/21/72/42/1130217242.db2.gz PROCJUUGDQCDNL-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN CCC1CCN(Cn2cc(-c3ccc(C)cc3)cn2)CC1 ZINC000748291620 1130227837 /nfs/dbraw/zinc/22/78/37/1130227837.db2.gz JRSWFKVJOPQCTM-UHFFFAOYSA-N 0 1 283.419 3.938 20 0 CHADMN c1n[nH]cc1-c1cccc2c1CN(Cc1ccccc1)C2 ZINC001240242467 1130244455 /nfs/dbraw/zinc/24/44/55/1130244455.db2.gz SGLJCWMAQCSXEL-UHFFFAOYSA-N 0 1 275.355 3.593 20 0 CHADMN Cc1ccc(OCCN2CC[C@H]2c2cccc(F)c2)cc1 ZINC000748831651 1130251577 /nfs/dbraw/zinc/25/15/77/1130251577.db2.gz AQGWXRYOYRBDDC-SFHVURJKSA-N 0 1 285.362 3.960 20 0 CHADMN CC1(C)CN(C[C@H](O)c2cccc(F)c2)[C@@H]1c1ccccc1 ZINC000748832353 1130251799 /nfs/dbraw/zinc/25/17/99/1130251799.db2.gz GQFPHBAXXZGYCK-ZWKOTPCHSA-N 0 1 299.389 3.942 20 0 CHADMN FC(F)(F)c1ccc(-c2cncc3cc[nH]c32)cn1 ZINC001240269243 1130253125 /nfs/dbraw/zinc/25/31/25/1130253125.db2.gz XCDSJZMEVRXQAR-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN CCN(Cn1nccc1-c1ccc(F)c(Cl)c1)C1CC1 ZINC000749013450 1130257915 /nfs/dbraw/zinc/25/79/15/1130257915.db2.gz OOJYZXMLSAWOJH-UHFFFAOYSA-N 0 1 293.773 3.784 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc2ncsc2c1 ZINC001240345189 1130272686 /nfs/dbraw/zinc/27/26/86/1130272686.db2.gz RRNCJNPNJNPVKH-UHFFFAOYSA-N 0 1 281.340 3.848 20 0 CHADMN COc1ncc(CN2CCC[C@@H]2C(C)(C)C)cc1Cl ZINC000676887197 1130275211 /nfs/dbraw/zinc/27/52/11/1130275211.db2.gz KNDXEKAFXIGJQP-CYBMUJFWSA-N 0 1 282.815 3.754 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1ccc(-c2cnn(C)c2)cc1 ZINC001240362810 1130278208 /nfs/dbraw/zinc/27/82/08/1130278208.db2.gz AHPIABFFVFZMIY-UHFFFAOYSA-N 0 1 288.354 3.939 20 0 CHADMN Cc1c(CN2C3CCCC2CCC3)nc2ccccn12 ZINC001137274240 1130279353 /nfs/dbraw/zinc/27/93/53/1130279353.db2.gz MDLXOCHIGZPQAV-UHFFFAOYSA-N 0 1 269.392 3.550 20 0 CHADMN Fc1cccc(-n2ccc(CN3CCC[C@@H](C4CC4)C3)n2)c1 ZINC000677051445 1130284106 /nfs/dbraw/zinc/28/41/06/1130284106.db2.gz KXRHYVKTKDSCGU-OAHLLOKOSA-N 0 1 299.393 3.633 20 0 CHADMN CCn1nccc1CNC1c2ccccc2-c2ccccc21 ZINC000677127366 1130292018 /nfs/dbraw/zinc/29/20/18/1130292018.db2.gz DSQMDDJTLHHLRM-UHFFFAOYSA-N 0 1 289.382 3.763 20 0 CHADMN CN1CCN(c2ccc(-c3ccc4occc4c3)cc2)CC1 ZINC001240425780 1130305560 /nfs/dbraw/zinc/30/55/60/1130305560.db2.gz GYPYHOUJEFDVLN-UHFFFAOYSA-N 0 1 292.382 3.852 20 0 CHADMN Cc1csc(CN2CCCOC(C)(C)C2)c1Cl ZINC001137291218 1130307053 /nfs/dbraw/zinc/30/70/53/1130307053.db2.gz KCXDEAWVIITFIP-UHFFFAOYSA-N 0 1 273.829 3.711 20 0 CHADMN COC(=O)c1nc2ccc(-c3cc(C)sc3C)cc2[nH]1 ZINC001240431149 1130308638 /nfs/dbraw/zinc/30/86/38/1130308638.db2.gz PGFOXGSLOZOCSU-UHFFFAOYSA-N 0 1 286.356 3.695 20 0 CHADMN CN(Cc1ccc(F)cc1Cl)CC1(O)CCCCC1 ZINC000772755367 1130312842 /nfs/dbraw/zinc/31/28/42/1130312842.db2.gz OSUVBYNJWJLLQI-UHFFFAOYSA-N 0 1 285.790 3.606 20 0 CHADMN Cc1cccc(F)c1CNCc1ccnn1-c1ccccc1 ZINC000790474793 1130315812 /nfs/dbraw/zinc/31/58/12/1130315812.db2.gz XEBUROZVLSGAJC-UHFFFAOYSA-N 0 1 295.361 3.610 20 0 CHADMN Cc1ccc2ncc(CN3CC[C@H](C)C(F)(F)CC3)n2c1 ZINC001137304892 1130318505 /nfs/dbraw/zinc/31/85/05/1130318505.db2.gz OYEDCOXCUUQDHI-ZDUSSCGKSA-N 0 1 293.361 3.510 20 0 CHADMN Cc1nn(C)c2ccc(-c3ccc(CN(C)C)c(F)c3)cc12 ZINC001240469506 1130321441 /nfs/dbraw/zinc/32/14/41/1130321441.db2.gz ZPWSVPNTSKDHCG-UHFFFAOYSA-N 0 1 297.377 3.749 20 0 CHADMN Cc1nn(C)c2ccc(-c3cccc(CN(C)C)c3F)cc12 ZINC001240469215 1130322190 /nfs/dbraw/zinc/32/21/90/1130322190.db2.gz RPPYRKMCBDMTLT-UHFFFAOYSA-N 0 1 297.377 3.749 20 0 CHADMN Cc1ccc(-c2nnc([C@@H](C)N3CCC4(CC4)CC3)o2)cc1 ZINC000677718734 1130323552 /nfs/dbraw/zinc/32/35/52/1130323552.db2.gz IQOWLCFTOSNXNT-CQSZACIVSA-N 0 1 297.402 3.982 20 0 CHADMN C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC2(CC2)CC1 ZINC000677717053 1130323595 /nfs/dbraw/zinc/32/35/95/1130323595.db2.gz CWXLYSYDTGITKX-GFCCVEGCSA-N 0 1 292.810 3.543 20 0 CHADMN Cc1cc2cc(-c3ccc(CN(C)C)c(F)c3)cnc2[nH]1 ZINC001240490475 1130325019 /nfs/dbraw/zinc/32/50/19/1130325019.db2.gz XJOQIZZYCFOKOZ-UHFFFAOYSA-N 0 1 283.350 3.739 20 0 CHADMN C[C@H](c1ncc(-c2ccccc2)o1)N1CC[C@H](C(F)F)C1 ZINC000677735620 1130327506 /nfs/dbraw/zinc/32/75/06/1130327506.db2.gz FHSNSDTUVCBEMU-YPMHNXCESA-N 0 1 292.329 3.990 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2cc3ccccc3[nH]2)C1 ZINC001137313840 1130333801 /nfs/dbraw/zinc/33/38/01/1130333801.db2.gz VUFCYILSGPGXFU-MRXNPFEDSA-N 0 1 260.356 3.882 20 0 CHADMN COc1ccc2oc(CNCc3ccoc3C)cc2c1 ZINC000677849374 1130335404 /nfs/dbraw/zinc/33/54/04/1130335404.db2.gz UIKOBKUFJSDYNE-UHFFFAOYSA-N 0 1 271.316 3.633 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC000677882068 1130336898 /nfs/dbraw/zinc/33/68/98/1130336898.db2.gz BORHPIPYZWTFLJ-OAHLLOKOSA-N 0 1 297.402 3.567 20 0 CHADMN CC[C@@H](OC(=O)c1ccc2cncn2c1)c1ccccc1 ZINC000790921209 1130338438 /nfs/dbraw/zinc/33/84/38/1130338438.db2.gz NCFWCDFSGNOXCC-MRXNPFEDSA-N 0 1 280.327 3.642 20 0 CHADMN Cc1cc([C@@](C)(O)CNCc2ccsc2Cl)c(C)o1 ZINC000790970720 1130341873 /nfs/dbraw/zinc/34/18/73/1130341873.db2.gz DMVWUDBUIBEEAE-AWEZNQCLSA-N 0 1 299.823 3.609 20 0 CHADMN C[C@@H]1CC[C@@H](N2CCc3c4ccccc4oc3C2)C1 ZINC001170147228 1130343091 /nfs/dbraw/zinc/34/30/91/1130343091.db2.gz BAEHVFUAZMXXTB-CHWSQXEVSA-N 0 1 255.361 3.980 20 0 CHADMN C[C@H](NCc1ccsc1Cl)[C@@H](O)c1cccc(F)c1 ZINC000790972860 1130343791 /nfs/dbraw/zinc/34/37/91/1130343791.db2.gz IPSLVKUPPTYCLQ-TVQRCGJNSA-N 0 1 299.798 3.752 20 0 CHADMN C[C@H]1CC[C@@H](N2CCc3c4ccccc4oc3C2)C1 ZINC001170147238 1130344406 /nfs/dbraw/zinc/34/44/06/1130344406.db2.gz BAEHVFUAZMXXTB-QWHCGFSZSA-N 0 1 255.361 3.980 20 0 CHADMN c1n[nH]cc1CN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000678133501 1130354168 /nfs/dbraw/zinc/35/41/68/1130354168.db2.gz CKTWGNREJVLABM-IBGZPJMESA-N 0 1 289.382 3.557 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cn3cccc(F)c3n2)cc1 ZINC000678136729 1130356500 /nfs/dbraw/zinc/35/65/00/1130356500.db2.gz HFIVUBUQAIYXLZ-AWEZNQCLSA-N 0 1 297.377 3.975 20 0 CHADMN CCC[C@@H](N[C@H](C)c1ccncc1)c1ccccn1 ZINC000678143558 1130359146 /nfs/dbraw/zinc/35/91/46/1130359146.db2.gz MXGRRYGSCMANSG-CZUORRHYSA-N 0 1 255.365 3.669 20 0 CHADMN Cc1cc(-c2cccc(-c3cc[nH]n3)c2)cc2nc[nH]c21 ZINC001240561998 1130359718 /nfs/dbraw/zinc/35/97/18/1130359718.db2.gz PWYSEBXUONJXIB-UHFFFAOYSA-N 0 1 274.327 3.928 20 0 CHADMN Fc1cccc(CN2CCC(c3cccnc3)CC2)c1F ZINC000678167678 1130362432 /nfs/dbraw/zinc/36/24/32/1130362432.db2.gz MLHPQTSJJSXMQW-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN CC(C)CN(Cc1[nH]nc2ccccc21)CC(F)(F)F ZINC000678183190 1130365986 /nfs/dbraw/zinc/36/59/86/1130365986.db2.gz KZUZTXMGVXXWPA-UHFFFAOYSA-N 0 1 285.313 3.583 20 0 CHADMN Cn1ccc2c1ccnc2-c1ccc2ccn(C)c2c1 ZINC001240570552 1130366379 /nfs/dbraw/zinc/36/63/79/1130366379.db2.gz NFIHPGAXDRSJHR-UHFFFAOYSA-N 0 1 261.328 3.732 20 0 CHADMN Cc1nc([C@H]2CCCCN2CC2CCCCCC2)no1 ZINC000678201139 1130369879 /nfs/dbraw/zinc/36/98/79/1130369879.db2.gz NPWMITWRTXJIJY-OAHLLOKOSA-N 0 1 277.412 3.875 20 0 CHADMN c1n[nH]cc1CN1CC=C(c2cccc3ccccc32)CC1 ZINC000678220396 1130372687 /nfs/dbraw/zinc/37/26/87/1130372687.db2.gz LMLFETBSSGNJMQ-UHFFFAOYSA-N 0 1 289.382 3.852 20 0 CHADMN CC(C)n1cc(CN2CCC[C@H]2c2ccc(O)cc2)cn1 ZINC000678213316 1130372778 /nfs/dbraw/zinc/37/27/78/1130372778.db2.gz ZYHLXOGGSJLLDF-KRWDZBQOSA-N 0 1 285.391 3.507 20 0 CHADMN c1ncn2c1cccc2-c1ccc(N2CCCC2)cc1 ZINC001240591415 1130375907 /nfs/dbraw/zinc/37/59/07/1130375907.db2.gz PRXWRGSCJJNATA-UHFFFAOYSA-N 0 1 263.344 3.602 20 0 CHADMN Fc1cccc(F)c1CN1CC[C@H](c2ccco2)C1 ZINC000678262289 1130383127 /nfs/dbraw/zinc/38/31/27/1130383127.db2.gz LFMJYEYUAOAJRQ-NSHDSACASA-N 0 1 263.287 3.547 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cnn(C(C)C)c1 ZINC000678267890 1130383692 /nfs/dbraw/zinc/38/36/92/1130383692.db2.gz YERQEPVGNIVVAD-SFHVURJKSA-N 0 1 283.419 3.973 20 0 CHADMN C[C@H](C(=O)Nc1ccc2ccccc2c1)N1[C@H](C)C[C@@H]1C ZINC000791566637 1130385763 /nfs/dbraw/zinc/38/57/63/1130385763.db2.gz BXOMRJCVDQSALM-HZSPNIEDSA-N 0 1 282.387 3.650 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1Cc1cn2cccc(F)c2n1 ZINC000678270993 1130385967 /nfs/dbraw/zinc/38/59/67/1130385967.db2.gz HEDOOPCOWUDGHW-CQSZACIVSA-N 0 1 275.371 3.628 20 0 CHADMN CC[C@@H]1CCCCCN1Cc1cn2cccc(F)c2n1 ZINC000678270993 1130385972 /nfs/dbraw/zinc/38/59/72/1130385972.db2.gz HEDOOPCOWUDGHW-CQSZACIVSA-N 0 1 275.371 3.628 20 0 CHADMN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1[C@H](C)C[C@H]1C ZINC000791566638 1130386192 /nfs/dbraw/zinc/38/61/92/1130386192.db2.gz BXOMRJCVDQSALM-MCIONIFRSA-N 0 1 282.387 3.650 20 0 CHADMN c1c(CN2C3CCCC2CCC3)[nH]nc1-c1ccccc1 ZINC000678278806 1130387760 /nfs/dbraw/zinc/38/77/60/1130387760.db2.gz HGAZVMLQRMULOB-UHFFFAOYSA-N 0 1 281.403 3.984 20 0 CHADMN Fc1cccn2cc(CN3CCC4(C3)CCCCC4)nc12 ZINC000678279383 1130388341 /nfs/dbraw/zinc/38/83/41/1130388341.db2.gz JZOOHIIBENIKAJ-UHFFFAOYSA-N 0 1 287.382 3.630 20 0 CHADMN C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1n[nH]c2ccccc21 ZINC000678278892 1130388949 /nfs/dbraw/zinc/38/89/49/1130388949.db2.gz DIEAICGSXMDHIE-CYBMUJFWSA-N 0 1 277.371 3.510 20 0 CHADMN C[C@@H]1Cc2ccccc2C[N@H+]1Cc1n[nH]c2ccccc21 ZINC000678278892 1130388955 /nfs/dbraw/zinc/38/89/55/1130388955.db2.gz DIEAICGSXMDHIE-CYBMUJFWSA-N 0 1 277.371 3.510 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1n[nH]c2ccccc21 ZINC000678278892 1130388959 /nfs/dbraw/zinc/38/89/59/1130388959.db2.gz DIEAICGSXMDHIE-CYBMUJFWSA-N 0 1 277.371 3.510 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(N(C)C)nc2)[C@@H](c2ccco2)C1 ZINC000678285819 1130393674 /nfs/dbraw/zinc/39/36/74/1130393674.db2.gz HXLYQBAOYUKXMA-GDBMZVCRSA-N 0 1 299.418 3.714 20 0 CHADMN COc1ccc(CN(C)Cc2csc(C)c2)cc1F ZINC000823386157 1131425415 /nfs/dbraw/zinc/42/54/15/1131425415.db2.gz CKGABWGXUXNKRT-UHFFFAOYSA-N 0 1 279.380 3.836 20 0 CHADMN C[C@@H]1CC[C@@H](N2CCc3c([nH]nc3C(F)(F)F)C2)C1 ZINC001170159573 1130399642 /nfs/dbraw/zinc/39/96/42/1130399642.db2.gz VSOQERKPGNUGHT-LNLATYFQSA-N 0 1 273.302 3.532 20 0 CHADMN C[C@@H]1CC[C@H](N2CCc3c([nH]nc3C(F)(F)F)C2)C1 ZINC001170159575 1130400414 /nfs/dbraw/zinc/40/04/14/1130400414.db2.gz VSOQERKPGNUGHT-VDDIYKPWSA-N 0 1 273.302 3.532 20 0 CHADMN COc1cc(-c2cc3nc[nH]c3c(C)c2)cc(F)c1F ZINC001240661066 1130406974 /nfs/dbraw/zinc/40/69/74/1130406974.db2.gz FOYLYHCKGQVOLY-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN Fc1ccc2[nH]cc(CN3C[C@H]4CC[C@@H](C3)C4(F)F)c2c1 ZINC001137335065 1130407371 /nfs/dbraw/zinc/40/73/71/1130407371.db2.gz FOVMNYRASMTITP-TXEJJXNPSA-N 0 1 294.320 3.784 20 0 CHADMN CC(C)(O)c1cncc(-c2ccc(C3=NCCC3)cc2)c1 ZINC001240666722 1130409902 /nfs/dbraw/zinc/40/99/02/1130409902.db2.gz VIIXXDRYTQTKDL-UHFFFAOYSA-N 0 1 280.371 3.559 20 0 CHADMN FC(F)c1cccc(-c2cc(N3CCOCC3)ccn2)c1 ZINC001240691925 1130420327 /nfs/dbraw/zinc/42/03/27/1130420327.db2.gz RVRGHRJVZYODBR-UHFFFAOYSA-N 0 1 290.313 3.523 20 0 CHADMN C[C@]1(NCc2nc3c(s2)CCC3)CCCc2ccccc21 ZINC000678497099 1130422406 /nfs/dbraw/zinc/42/24/06/1130422406.db2.gz MQDSQMKXEWOZFM-SFHVURJKSA-N 0 1 298.455 3.973 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cccc2[nH]ccc21 ZINC001240712607 1130432775 /nfs/dbraw/zinc/43/27/75/1130432775.db2.gz KFGAYFZUEPNNMU-UHFFFAOYSA-N 0 1 263.300 3.720 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H]1C)c1nc(C2CCCCC2)no1 ZINC000792178328 1130436134 /nfs/dbraw/zinc/43/61/34/1130436134.db2.gz DXYBBLAOSFNZFM-GMXVVIOVSA-N 0 1 263.385 3.566 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc3c(s2)CCCC3)ncn1 ZINC000678605400 1130440137 /nfs/dbraw/zinc/44/01/37/1130440137.db2.gz PWDBDIMDSSDMNN-LBPRGKRZSA-N 0 1 287.432 3.576 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](c2cccnc2)C2CC2)s1 ZINC000678609420 1130441798 /nfs/dbraw/zinc/44/17/98/1130441798.db2.gz RYPUUPVSRLTRET-BONVTDFDSA-N 0 1 273.405 3.648 20 0 CHADMN Fc1ccc(F)c(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000678639282 1130443086 /nfs/dbraw/zinc/44/30/86/1130443086.db2.gz OVBHBMHADCZGBW-UONOGXRCSA-N 0 1 295.373 3.603 20 0 CHADMN Fc1ccc(F)c(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000678639282 1130443090 /nfs/dbraw/zinc/44/30/90/1130443090.db2.gz OVBHBMHADCZGBW-UONOGXRCSA-N 0 1 295.373 3.603 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1NCc1ccc(F)cn1 ZINC000678770887 1130452579 /nfs/dbraw/zinc/45/25/79/1130452579.db2.gz WCSGZQAWLADLQZ-PXAZEXFGSA-N 0 1 270.351 3.634 20 0 CHADMN COCOc1cc(C)ccc1-c1cc2nc[nH]c2c(C)c1 ZINC001240747602 1130452756 /nfs/dbraw/zinc/45/27/56/1130452756.db2.gz PAADLRWKKVUJCF-UHFFFAOYSA-N 0 1 282.343 3.829 20 0 CHADMN CC[C@@H]1C[C@@H](N(CC(=O)c2ccccc2)C(C)C)CCO1 ZINC001170235228 1130465078 /nfs/dbraw/zinc/46/50/78/1130465078.db2.gz LCKZCHIAJBDGCW-DLBZAZTESA-N 0 1 289.419 3.537 20 0 CHADMN Cc1cc(S(=O)(=O)Nc2ccc(C3CC3)cc2)c(C)o1 ZINC000678940542 1130476483 /nfs/dbraw/zinc/47/64/83/1130476483.db2.gz KYLKCFSUMGBLDZ-UHFFFAOYSA-N 0 1 291.372 3.575 20 0 CHADMN OCC1(NCc2csc(C3CCCC3)n2)CCCCC1 ZINC000678972727 1130480733 /nfs/dbraw/zinc/48/07/33/1130480733.db2.gz BSXWTFKIBXPUHR-UHFFFAOYSA-N 0 1 294.464 3.586 20 0 CHADMN Cc1cc(N(C)C)ncc1NC1CC(C)(C)OC(C)(C)C1 ZINC001170361568 1130485594 /nfs/dbraw/zinc/48/55/94/1130485594.db2.gz SJIIYASDQVKYLG-UHFFFAOYSA-N 0 1 291.439 3.604 20 0 CHADMN Cc1ncc([C@H](C)NC2(c3ccccc3)CC2)s1 ZINC000679032486 1130485699 /nfs/dbraw/zinc/48/56/99/1130485699.db2.gz QUEOKFPXGRGYTA-NSHDSACASA-N 0 1 258.390 3.791 20 0 CHADMN COc1ccc2c(c1)C[C@H](Nc1ccc3nc[nH]c3c1)CC2 ZINC001170413788 1130493161 /nfs/dbraw/zinc/49/31/61/1130493161.db2.gz NXWYXWKIGDJYKJ-CQSZACIVSA-N 0 1 293.370 3.541 20 0 CHADMN Cc1cccc2c1CC[C@H]2Nc1cnn(-c2ccncc2)c1 ZINC000679128336 1130495304 /nfs/dbraw/zinc/49/53/04/1130495304.db2.gz UUWRIPOAXOFBPY-GOSISDBHSA-N 0 1 290.370 3.675 20 0 CHADMN Cc1cc2nc(NCc3ccc4nc[nH]c4c3)oc2c(C)c1 ZINC000679122519 1130495604 /nfs/dbraw/zinc/49/56/04/1130495604.db2.gz SXKGXODBSVBFCG-UHFFFAOYSA-N 0 1 292.342 3.933 20 0 CHADMN CN(C)c1ccc(-c2cc(F)c3c(c2)CN(C)CC3)cc1 ZINC001240915949 1130515644 /nfs/dbraw/zinc/51/56/44/1130515644.db2.gz DAGSDUCXBWHOLD-UHFFFAOYSA-N 0 1 284.378 3.547 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(OCC(F)F)cc2)C[C@@H]1F ZINC000679358881 1130520561 /nfs/dbraw/zinc/52/05/61/1130520561.db2.gz NNZLWFSLTFTNAW-RISCZKNCSA-N 0 1 287.325 3.510 20 0 CHADMN COc1ccc(-c2ccc3nc(C)[nH]c3c2)c(OC)c1OC ZINC001240930361 1130521233 /nfs/dbraw/zinc/52/12/33/1130521233.db2.gz FYCGGNMLSPLPKC-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN Cc1[nH]ncc1[C@H](C)Nc1ccc2nc(C3CC3)oc2c1 ZINC000679363552 1130522675 /nfs/dbraw/zinc/52/26/75/1130522675.db2.gz TZKDOXJBBHZYNL-VIFPVBQESA-N 0 1 282.347 3.910 20 0 CHADMN CC(C)(C)OCc1ccc(-c2cc3[nH]cnc3cn2)cc1 ZINC001240940676 1130526175 /nfs/dbraw/zinc/52/61/75/1130526175.db2.gz PJRACGZEXQRLFZ-UHFFFAOYSA-N 0 1 281.359 3.940 20 0 CHADMN Cc1ccccc1[C@H]1CN(Cc2ccc(O)cc2)[C@H](C)CO1 ZINC000679393948 1130526401 /nfs/dbraw/zinc/52/64/01/1130526401.db2.gz YEAKNRQXJJXXSB-DNVCBOLYSA-N 0 1 297.398 3.663 20 0 CHADMN C[C@@H]1CCN(Cc2nc3c(s2)CCC3)CC12CCC2 ZINC000679426757 1130529535 /nfs/dbraw/zinc/52/95/35/1130529535.db2.gz QGWOHSKEHSITNE-GFCCVEGCSA-N 0 1 276.449 3.644 20 0 CHADMN COCc1ccc(-c2cc3[nH]cnc3cc2C)cc1 ZINC001240951963 1130531291 /nfs/dbraw/zinc/53/12/91/1130531291.db2.gz AMBHQEBPHNNCPI-UHFFFAOYSA-N 0 1 252.317 3.685 20 0 CHADMN [O-]c1ccc(C[NH2+]Cc2ccc3ncccc3c2)cc1Cl ZINC000793263128 1130535742 /nfs/dbraw/zinc/53/57/42/1130535742.db2.gz IECRSWNEJPMXJS-UHFFFAOYSA-N 0 1 298.773 3.884 20 0 CHADMN Cc1cccnc1CN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679543559 1130537748 /nfs/dbraw/zinc/53/77/48/1130537748.db2.gz VKLCYEMMAOHKKX-NEPJUHHUSA-N 0 1 272.314 3.553 20 0 CHADMN COc1cc(F)c(-c2cccc(CN(C)C)c2F)cc1F ZINC001240959767 1130537851 /nfs/dbraw/zinc/53/78/51/1130537851.db2.gz KNHKJBIGAMAGKQ-UHFFFAOYSA-N 0 1 295.304 3.841 20 0 CHADMN Cc1ncc(CN2C[C@H](C(F)(F)F)CC[C@H]2C)s1 ZINC000679539862 1130538115 /nfs/dbraw/zinc/53/81/15/1130538115.db2.gz CKJDJGORBARTIG-PSASIEDQSA-N 0 1 278.343 3.614 20 0 CHADMN COc1ccc2cc(CNCc3cccnc3F)ccc2c1 ZINC000793289323 1130538489 /nfs/dbraw/zinc/53/84/89/1130538489.db2.gz MJINTLVNPILCNF-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN F[C@@H]1CCC2(C1)CCN(Cc1cccc(Cl)n1)CC2 ZINC001139552045 1130538664 /nfs/dbraw/zinc/53/86/64/1130538664.db2.gz LRGXNQLFRWQQDN-GFCCVEGCSA-N 0 1 282.790 3.839 20 0 CHADMN Cc1ccncc1CN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679545913 1130539257 /nfs/dbraw/zinc/53/92/57/1130539257.db2.gz MSXPEJPSFQACFQ-YPMHNXCESA-N 0 1 272.314 3.553 20 0 CHADMN C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1cccc(F)c1 ZINC000679545143 1130539461 /nfs/dbraw/zinc/53/94/61/1130539461.db2.gz JLLFGQVUHLPQSK-JQWIXIFHSA-N 0 1 275.289 3.989 20 0 CHADMN C[C@@H]1CN(Cc2[nH]nc3ccccc32)c2ccccc21 ZINC000679582057 1130542137 /nfs/dbraw/zinc/54/21/37/1130542137.db2.gz FACISGMTIASIIG-GFCCVEGCSA-N 0 1 263.344 3.687 20 0 CHADMN Cc1ncccc1CN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679583820 1130543313 /nfs/dbraw/zinc/54/33/13/1130543313.db2.gz JRROQGIBDKBEDB-MFKMUULPSA-N 0 1 272.314 3.553 20 0 CHADMN COc1cccc2cc(CN3CCC(F)(F)CC3)oc21 ZINC000793360491 1130545369 /nfs/dbraw/zinc/54/53/69/1130545369.db2.gz XGIPLMADEFDBMM-UHFFFAOYSA-N 0 1 281.302 3.673 20 0 CHADMN Fc1ccc([C@H](NC2CSC2)c2ccccc2)cc1 ZINC000679627597 1130546962 /nfs/dbraw/zinc/54/69/62/1130546962.db2.gz SEPSPKGLYSPTHC-MRXNPFEDSA-N 0 1 273.376 3.620 20 0 CHADMN Cc1nccc(N(C)Cc2ccsc2)c1Cl ZINC000679632573 1130548282 /nfs/dbraw/zinc/54/82/82/1130548282.db2.gz RBHPNSRCQRXIQO-UHFFFAOYSA-N 0 1 252.770 3.741 20 0 CHADMN CN(C)Cc1cc(-c2cc(F)c(F)c(F)c2)ccc1F ZINC001240981763 1130549313 /nfs/dbraw/zinc/54/93/13/1130549313.db2.gz PWXRSIFFIZVZEB-UHFFFAOYSA-N 0 1 283.268 3.972 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](OC(F)F)C1 ZINC000679684488 1130552070 /nfs/dbraw/zinc/55/20/70/1130552070.db2.gz TXAVRKDCWOYDHG-ZWNOBZJWSA-N 0 1 273.298 3.590 20 0 CHADMN CSc1ccc(CN2CCC[C@@H](OC(F)F)C2)cc1 ZINC000679682741 1130551925 /nfs/dbraw/zinc/55/19/25/1130551925.db2.gz YWSMRJDLSQAGQY-GFCCVEGCSA-N 0 1 287.375 3.612 20 0 CHADMN Fc1ccc(/C=C/CN2CCC[C@H](OC(F)F)C2)cc1 ZINC000679741199 1130552982 /nfs/dbraw/zinc/55/29/82/1130552982.db2.gz WUUZVSHTYMDUAV-YOUVMVQBSA-N 0 1 285.309 3.543 20 0 CHADMN CC(C)[C@H](NCc1cn[nH]c1)c1ccc(Cl)cc1F ZINC000679750428 1130554276 /nfs/dbraw/zinc/55/42/76/1130554276.db2.gz FZGYCNJZYUKASK-AWEZNQCLSA-N 0 1 281.762 3.689 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1ccc(F)c(F)c1F ZINC001240990372 1130555358 /nfs/dbraw/zinc/55/53/58/1130555358.db2.gz AVPDDXYNIKEMBN-UHFFFAOYSA-N 0 1 262.234 3.956 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(F)c(F)c2)C(C)C)ncn1 ZINC000679771001 1130556748 /nfs/dbraw/zinc/55/67/48/1130556748.db2.gz QAQSPOLTGDQSDG-MRXNPFEDSA-N 0 1 291.345 3.550 20 0 CHADMN Oc1ccccc1-c1nccc(-c2c[nH]c3ccccc23)n1 ZINC001241003902 1130560422 /nfs/dbraw/zinc/56/04/22/1130560422.db2.gz WCSSSSZIGLXIML-UHFFFAOYSA-N 0 1 287.322 3.998 20 0 CHADMN CC(C)Cc1ccc(NC(=O)CN2CCC(C)CC2)cc1 ZINC001137393356 1130561785 /nfs/dbraw/zinc/56/17/85/1130561785.db2.gz ZJGHABIZWCACRG-UHFFFAOYSA-N 0 1 288.435 3.556 20 0 CHADMN COc1cccc(-c2ccnc(-c3ccccc3O)n2)c1 ZINC001241007456 1130561814 /nfs/dbraw/zinc/56/18/14/1130561814.db2.gz BWHPTWMHGHMYBP-UHFFFAOYSA-N 0 1 278.311 3.525 20 0 CHADMN c1cc(CN2CCCCC23COC3)cc(-c2ccncc2)c1 ZINC001137393608 1130561920 /nfs/dbraw/zinc/56/19/20/1130561920.db2.gz XIVQBRACTKKPDN-UHFFFAOYSA-N 0 1 294.398 3.504 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2ccc(Cl)cc2)n(C)n1 ZINC000793519387 1130562188 /nfs/dbraw/zinc/56/21/88/1130562188.db2.gz QWTIOWAHVLNHLI-RYUDHWBXSA-N 0 1 277.799 3.794 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H]3CC[C@@H](C)[C@@H](C)C3)cc2[nH]1 ZINC001137393365 1130562291 /nfs/dbraw/zinc/56/22/91/1130562291.db2.gz ZPCKRKPTYDHUAQ-NTZNESFSSA-N 0 1 285.391 3.882 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@@H](C)c1cc(C)nn1C ZINC000793567721 1130570707 /nfs/dbraw/zinc/57/07/07/1130570707.db2.gz PLCQERHIGAZYBE-OLZOCXBDSA-N 0 1 289.448 3.862 20 0 CHADMN O=c1[nH]cc(CN2CC[C@H]2c2ccccc2)c2ccccc21 ZINC001234008481 1130598085 /nfs/dbraw/zinc/59/80/85/1130598085.db2.gz YPJONHVXDSVFLZ-SFHVURJKSA-N 0 1 290.366 3.887 20 0 CHADMN CC[C@@]1(C)CC[N@@H+](Cn2ccn(C(C)C)c2=S)C1 ZINC000758392052 1130609135 /nfs/dbraw/zinc/60/91/35/1130609135.db2.gz PEDNGGUPQWNCQU-AWEZNQCLSA-N 0 1 267.442 3.679 20 0 CHADMN CC[C@@]1(C)CCN(Cn2ccn(C(C)C)c2=S)C1 ZINC000758392052 1130609139 /nfs/dbraw/zinc/60/91/39/1130609139.db2.gz PEDNGGUPQWNCQU-AWEZNQCLSA-N 0 1 267.442 3.679 20 0 CHADMN CN(C)c1ccnc(Cl)c1CN1CCCC2(CCC2)C1 ZINC001234150647 1130612477 /nfs/dbraw/zinc/61/24/77/1130612477.db2.gz KDOZHEYQOASXFO-UHFFFAOYSA-N 0 1 293.842 3.567 20 0 CHADMN Cc1ccc(COC(=O)c2c(F)cc(O)cc2F)cc1C ZINC000758457908 1130613397 /nfs/dbraw/zinc/61/33/97/1130613397.db2.gz JMBCSZATYFSPHT-UHFFFAOYSA-N 0 1 292.281 3.644 20 0 CHADMN CCCC[C@H](C)N(C)Cc1c(CC)nn(C)c1Cl ZINC000811520071 1130615871 /nfs/dbraw/zinc/61/58/71/1130615871.db2.gz JHEQZQBENXMGPR-NSHDSACASA-N 0 1 271.836 3.646 20 0 CHADMN CSc1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)s1 ZINC000811500567 1130617339 /nfs/dbraw/zinc/61/73/39/1130617339.db2.gz GZGRVBBVUOBKSA-GFCCVEGCSA-N 0 1 290.457 3.855 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(O)c2)cnc1Cl ZINC000758544586 1130617862 /nfs/dbraw/zinc/61/78/62/1130617862.db2.gz LSJRGHCXQMSVIB-LLVKDONJSA-N 0 1 276.767 3.600 20 0 CHADMN Cc1occc1CN(C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759044804 1130634134 /nfs/dbraw/zinc/63/41/34/1130634134.db2.gz QXCUOKSBUHBNEK-OAHLLOKOSA-N 0 1 297.757 3.546 20 0 CHADMN CN(C)Cc1cccc(-c2cnc3occc3c2)c1F ZINC001244865437 1130667245 /nfs/dbraw/zinc/66/72/45/1130667245.db2.gz SMYOHUJJOGHPGN-UHFFFAOYSA-N 0 1 270.307 3.696 20 0 CHADMN O=C(/C=C/c1ccsc1)Nc1cccc(Cl)c1O ZINC000759711474 1130671890 /nfs/dbraw/zinc/67/18/90/1130671890.db2.gz RWNZXEQXLKCNJT-SNAWJCMRSA-N 0 1 279.748 3.759 20 0 CHADMN CCCCC[C@H](CCC)Oc1nc(F)nc2nc[nH]c21 ZINC001234690521 1130673399 /nfs/dbraw/zinc/67/33/99/1130673399.db2.gz POSRCGJTFYCDLM-JTQLQIEISA-N 0 1 280.347 3.620 20 0 CHADMN CC(C)C[C@@H](C(=O)NOC/C=C/Cl)c1ccccc1 ZINC000812398561 1130686655 /nfs/dbraw/zinc/68/66/55/1130686655.db2.gz SVXCNHJYRDZVAT-VIIAAUOXSA-N 0 1 281.783 3.617 20 0 CHADMN C[C@@H](ONC(=O)C(C)(C)c1ccccc1)c1ccccc1 ZINC000812415787 1130688550 /nfs/dbraw/zinc/68/85/50/1130688550.db2.gz NKBSXSOOJJNTDR-CQSZACIVSA-N 0 1 283.371 3.773 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000780973234 1130697145 /nfs/dbraw/zinc/69/71/45/1130697145.db2.gz XWSMOCANRKSPJF-WBMJQRKESA-N 0 1 294.443 3.541 20 0 CHADMN CC/C(C)=C(/C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000780961551 1130697245 /nfs/dbraw/zinc/69/72/45/1130697245.db2.gz XXHFQRHLXCOCPE-QXMHVHEDSA-N 0 1 278.371 3.572 20 0 CHADMN Cc1ccc(Cl)cc1N(C)Cc1n[nH]c(C(C)(C)C)n1 ZINC001170681736 1130700200 /nfs/dbraw/zinc/70/02/00/1130700200.db2.gz MZJVQIJZLBMJLW-UHFFFAOYSA-N 0 1 292.814 3.700 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cccc(N3CCCC3)c2)CCC1(F)F ZINC001235083393 1130708820 /nfs/dbraw/zinc/70/88/20/1130708820.db2.gz CICKAMZCDJQEKM-AWEZNQCLSA-N 0 1 294.389 3.764 20 0 CHADMN CC1(C)CN(Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001235112473 1130711889 /nfs/dbraw/zinc/71/18/89/1130711889.db2.gz LXYILYAAYSDHLN-UHFFFAOYSA-N 0 1 268.360 3.716 20 0 CHADMN CCC[C@@H](CNCc1nc2c(s1)C[C@@H](C)CC2)OCC ZINC001331296121 1130715335 /nfs/dbraw/zinc/71/53/35/1130715335.db2.gz JBYCUWQBFMYRIQ-STQMWFEESA-N 0 1 296.480 3.563 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@H](F)CC2)c(F)c1 ZINC001235189241 1130720522 /nfs/dbraw/zinc/72/05/22/1130720522.db2.gz IDTDEIIFLOEIBB-NSHDSACASA-N 0 1 257.299 3.597 20 0 CHADMN CCc1cccc(CN(Cc2ccccc2)C2CC2)n1 ZINC001235265155 1130729119 /nfs/dbraw/zinc/72/91/19/1130729119.db2.gz SZRJVGIKESFXLK-UHFFFAOYSA-N 0 1 266.388 3.809 20 0 CHADMN CCc1cccc(CN(CC)Cc2cccc(F)c2)n1 ZINC001235265583 1130731521 /nfs/dbraw/zinc/73/15/21/1130731521.db2.gz WWIGPONRDYHYHT-UHFFFAOYSA-N 0 1 272.367 3.805 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1C[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000692427844 1130739591 /nfs/dbraw/zinc/73/95/91/1130739591.db2.gz TZAUSTBFARATQW-IAGOWNOFSA-N 0 1 289.419 3.790 20 0 CHADMN Cc1cc(OC(C)C)ncc1CN1CCc2ccccc2C1 ZINC001235418459 1130740464 /nfs/dbraw/zinc/74/04/64/1130740464.db2.gz RNRXDJULIOYHLR-UHFFFAOYSA-N 0 1 296.414 3.736 20 0 CHADMN COc1cc(CN2CCC3(CCC3)CC2)cc(F)c1F ZINC001235434654 1130743609 /nfs/dbraw/zinc/74/36/09/1130743609.db2.gz NIMHAEQAAQHRPU-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN COc1cc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cc(F)c1F ZINC001235435114 1130743673 /nfs/dbraw/zinc/74/36/73/1130743673.db2.gz UFYBKXNHNSISRD-OLZOCXBDSA-N 0 1 281.346 3.595 20 0 CHADMN COc1cc(CN2CC[C@H]3CCC[C@H]3C2)cc(F)c1F ZINC001235435114 1130743678 /nfs/dbraw/zinc/74/36/78/1130743678.db2.gz UFYBKXNHNSISRD-OLZOCXBDSA-N 0 1 281.346 3.595 20 0 CHADMN COc1cc(C[N@@H+](C)Cc2ccc(F)cc2)cc(F)c1F ZINC001235434513 1130743816 /nfs/dbraw/zinc/74/38/16/1130743816.db2.gz RMZHBHRYWDLLRM-UHFFFAOYSA-N 0 1 295.304 3.745 20 0 CHADMN COc1cc(CN(C)Cc2ccc(F)cc2)cc(F)c1F ZINC001235434513 1130743819 /nfs/dbraw/zinc/74/38/19/1130743819.db2.gz RMZHBHRYWDLLRM-UHFFFAOYSA-N 0 1 295.304 3.745 20 0 CHADMN COc1cc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc(F)c1F ZINC001235434932 1130744089 /nfs/dbraw/zinc/74/40/89/1130744089.db2.gz VMSBJBWACHHECK-PHIMTYICSA-N 0 1 269.335 3.736 20 0 CHADMN COc1cc(CN2[C@H](C)CCC[C@@H]2C)cc(F)c1F ZINC001235434932 1130744097 /nfs/dbraw/zinc/74/40/97/1130744097.db2.gz VMSBJBWACHHECK-PHIMTYICSA-N 0 1 269.335 3.736 20 0 CHADMN COc1cc(CN2CCC[C@@H]3CCC[C@@H]32)cc(F)c1F ZINC001235450408 1130745777 /nfs/dbraw/zinc/74/57/77/1130745777.db2.gz FUTGIQDMPRFLPR-JSGCOSHPSA-N 0 1 281.346 3.738 20 0 CHADMN C[C@@H]1CC[C@]2(CCN(Cc3coc(C4CC4)n3)C2)C1 ZINC000781928107 1130749490 /nfs/dbraw/zinc/74/94/90/1130749490.db2.gz JJBXLFKDJUWEMX-WBMJQRKESA-N 0 1 260.381 3.564 20 0 CHADMN Fc1cncc(CN2CCC[C@H]3CCC[C@@H]32)c1Cl ZINC001235493329 1130749754 /nfs/dbraw/zinc/74/97/54/1130749754.db2.gz AIOLMWQMMAWFAK-MFKMUULPSA-N 0 1 268.763 3.639 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OC1CC(C)C1 ZINC000813232753 1130750627 /nfs/dbraw/zinc/75/06/27/1130750627.db2.gz JEUMNKPUHFFDGS-UHFFFAOYSA-N 0 1 284.359 3.649 20 0 CHADMN CC(C)(C)OC(=O)n1cccc1CN1CCCCCC1 ZINC001235624619 1130759242 /nfs/dbraw/zinc/75/92/42/1130759242.db2.gz HTETTXXVAHBTHE-UHFFFAOYSA-N 0 1 278.396 3.647 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1cccn1C(=O)OC(C)(C)C ZINC001235632461 1130759691 /nfs/dbraw/zinc/75/96/91/1130759691.db2.gz OZWVACHZLAYRCA-UONOGXRCSA-N 0 1 292.423 3.892 20 0 CHADMN CN(Cc1cccnc1)[C@H]1CCc2cc(Cl)ccc21 ZINC000782188391 1130759883 /nfs/dbraw/zinc/75/98/83/1130759883.db2.gz CYCJQCQMBFXJBS-INIZCTEOSA-N 0 1 272.779 3.854 20 0 CHADMN Cc1cncc(Br)c1CN1CC[C@@H](C)C[C@@H]1C ZINC001235647830 1130761137 /nfs/dbraw/zinc/76/11/37/1130761137.db2.gz SOXAOBYKPLHQPI-PWSUYJOCSA-N 0 1 297.240 3.773 20 0 CHADMN Fc1cc(Cl)c(-c2cccn3cncc23)cc1F ZINC001245016707 1130764548 /nfs/dbraw/zinc/76/45/48/1130764548.db2.gz FXMYVUWDAFWUGS-UHFFFAOYSA-N 0 1 264.662 3.933 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1cc(Cl)ccc1O ZINC001245050705 1130771428 /nfs/dbraw/zinc/77/14/28/1130771428.db2.gz LDXQCISVQMYIEQ-UHFFFAOYSA-N 0 1 258.708 3.897 20 0 CHADMN Nc1cccc(CN2CCC[C@@H]2c2cc(F)ccc2F)c1 ZINC001235713833 1130771684 /nfs/dbraw/zinc/77/16/84/1130771684.db2.gz HJWMKOGPXBYVNY-QGZVFWFLSA-N 0 1 288.341 3.884 20 0 CHADMN Oc1cc(Cl)cc(-c2cc(N3CCCC3)ccn2)c1 ZINC001235898098 1130798272 /nfs/dbraw/zinc/79/82/72/1130798272.db2.gz AJVRYSNKTSPPLI-UHFFFAOYSA-N 0 1 274.751 3.708 20 0 CHADMN Clc1cccc2c1CCN(Cc1ccc3c(c1)CCN3)C2 ZINC001235949895 1130814209 /nfs/dbraw/zinc/81/42/09/1130814209.db2.gz WXSCIOQUMKDASN-UHFFFAOYSA-N 0 1 298.817 3.866 20 0 CHADMN Oc1c(F)cc(F)c(-c2nncc3ccc(F)cc32)c1F ZINC001235987209 1130823039 /nfs/dbraw/zinc/82/30/39/1130823039.db2.gz ZNZSGNCLTXYLJY-UHFFFAOYSA-N 0 1 294.207 3.559 20 0 CHADMN COC(=O)c1cc(-c2c(F)cc(F)c(O)c2F)ccc1C ZINC001235993322 1130824968 /nfs/dbraw/zinc/82/49/68/1130824968.db2.gz GJXHOGRURZMKCL-UHFFFAOYSA-N 0 1 296.244 3.572 20 0 CHADMN C[C@H]1C(=O)Nc2cc(-c3c(F)cc(F)c(O)c3F)ccc21 ZINC001235995519 1130826070 /nfs/dbraw/zinc/82/60/70/1130826070.db2.gz ORVSBCHTVQFMAG-ZCFIWIBFSA-N 0 1 293.244 3.532 20 0 CHADMN Cc1cnc(N[C@@H](C)c2cccc(N)c2)c2[nH]ccc21 ZINC001170727621 1130827424 /nfs/dbraw/zinc/82/74/24/1130827424.db2.gz JPSSCTRSZHLWGE-NSHDSACASA-N 0 1 266.348 3.627 20 0 CHADMN Oc1c(F)cc(F)c(-c2cnccc2C(F)(F)F)c1F ZINC001235999113 1130827362 /nfs/dbraw/zinc/82/73/62/1130827362.db2.gz ZFJYWPRZLYHYRO-UHFFFAOYSA-N 0 1 293.166 3.890 20 0 CHADMN CSc1ccc(-c2c(F)cc(F)c(O)c2F)nc1 ZINC001235998921 1130827636 /nfs/dbraw/zinc/82/76/36/1130827636.db2.gz SRXQOGFPTCKMKH-UHFFFAOYSA-N 0 1 271.263 3.593 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc(C(F)F)nc2)c1F ZINC001235998301 1130827789 /nfs/dbraw/zinc/82/77/89/1130827789.db2.gz KXPNKXGFANJBQB-UHFFFAOYSA-N 0 1 275.176 3.809 20 0 CHADMN Fc1cccc2c1CCN(Cc1ccc3c(c1)CCCN3)C2 ZINC001236048271 1130838723 /nfs/dbraw/zinc/83/87/23/1130838723.db2.gz QRPNLONPHHIRDP-UHFFFAOYSA-N 0 1 296.389 3.742 20 0 CHADMN Clc1ccc(-c2cc(-n3ccnc3)ccn2)cc1 ZINC001236089210 1130856762 /nfs/dbraw/zinc/85/67/62/1130856762.db2.gz BDTLZAOHVXAGBW-UHFFFAOYSA-N 0 1 255.708 3.588 20 0 CHADMN Fc1ccc2c(c1)CCN(Cc1ccc3c(c1)CCCN3)C2 ZINC001236092819 1130858030 /nfs/dbraw/zinc/85/80/30/1130858030.db2.gz DGFZRIHTYHPKEF-UHFFFAOYSA-N 0 1 296.389 3.742 20 0 CHADMN C[C@@H](CF)NCc1c(-c2ccccc2)nc2sccn21 ZINC000814307226 1130860873 /nfs/dbraw/zinc/86/08/73/1130860873.db2.gz YMEOPLPIOSAJLI-NSHDSACASA-N 0 1 289.379 3.510 20 0 CHADMN c1cc(C2CCCCC2)ccc1-c1ncc2c(n1)CNC2 ZINC001236098439 1130861076 /nfs/dbraw/zinc/86/10/76/1130861076.db2.gz RTVUTIRCUOQUOG-UHFFFAOYSA-N 0 1 279.387 3.795 20 0 CHADMN Fc1cccc(CNCc2csc3ccccc23)n1 ZINC000747934462 1130864794 /nfs/dbraw/zinc/86/47/94/1130864794.db2.gz CCXBBYRKBOVDGS-UHFFFAOYSA-N 0 1 272.348 3.725 20 0 CHADMN Cl/C=C\CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000814666577 1130896402 /nfs/dbraw/zinc/89/64/02/1130896402.db2.gz IEVRSKGTEFXYGC-DBGMKRSLSA-N 0 1 256.176 3.882 20 0 CHADMN CC(C)Oc1ncccc1-c1ccc(F)c(CN(C)C)c1 ZINC001236109992 1130867658 /nfs/dbraw/zinc/86/76/58/1130867658.db2.gz YRAOUEQTKWFEIQ-UHFFFAOYSA-N 0 1 288.366 3.737 20 0 CHADMN Fc1cccc(CNCc2cccc(C(F)(F)F)c2)n1 ZINC000747935820 1130868449 /nfs/dbraw/zinc/86/84/49/1130868449.db2.gz ORKNYMARQZVYHG-UHFFFAOYSA-N 0 1 284.256 3.529 20 0 CHADMN CC1(C2CC2)CCN(Cc2c(F)cccc2F)CC1 ZINC001170744702 1130869974 /nfs/dbraw/zinc/86/99/74/1130869974.db2.gz KSXZPTKWXCAFJQ-UHFFFAOYSA-N 0 1 265.347 3.977 20 0 CHADMN CCn1c2ccccc2c2cc(CN3CC[C@@H]3NC)ccc21 ZINC001236166908 1130877767 /nfs/dbraw/zinc/87/77/67/1130877767.db2.gz JSQDPNQVTZXBDW-LJQANCHMSA-N 0 1 293.414 3.566 20 0 CHADMN Fc1cccc2oc(Nc3ccn(-c4ccccc4)n3)nc21 ZINC000784153149 1130884695 /nfs/dbraw/zinc/88/46/95/1130884695.db2.gz RPENUMUJQZDMCU-UHFFFAOYSA-N 0 1 294.289 3.896 20 0 CHADMN COc1cc(C)cc(F)c1-c1ccc2nc[nH]c2c1C ZINC001236223179 1130897390 /nfs/dbraw/zinc/89/73/90/1130897390.db2.gz RQVLDIFOJWUZTC-UHFFFAOYSA-N 0 1 270.307 3.994 20 0 CHADMN Nc1ccc2c(c1)CN(Cc1ccc(F)c(C3CC3)c1)CC2 ZINC001236234670 1130900862 /nfs/dbraw/zinc/90/08/62/1130900862.db2.gz PVZQXYKLVVNYSP-UHFFFAOYSA-N 0 1 296.389 3.844 20 0 CHADMN CCSCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000814727118 1130903083 /nfs/dbraw/zinc/90/30/83/1130903083.db2.gz IPKVXSXBYXAYRR-UHFFFAOYSA-N 0 1 285.825 3.928 20 0 CHADMN CC(C)C(C)(C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000784425599 1130904431 /nfs/dbraw/zinc/90/44/31/1130904431.db2.gz MUYFXHLPRFEQAP-UHFFFAOYSA-N 0 1 280.387 3.508 20 0 CHADMN Fc1cc2nn[nH]c2cc1C1=CC[C@H](C(F)(F)F)CC1 ZINC001236252256 1130905751 /nfs/dbraw/zinc/90/57/51/1130905751.db2.gz CAXDMUWJFJMPHL-QMMMGPOBSA-N 0 1 285.244 3.843 20 0 CHADMN Nc1ccc(C2CCN(Cc3ccc(Cl)o3)CC2)cc1 ZINC001236335743 1130915291 /nfs/dbraw/zinc/91/52/91/1130915291.db2.gz BFUMHKBPEDBQGL-UHFFFAOYSA-N 0 1 290.794 3.895 20 0 CHADMN CC(C)Oc1c(F)ccc(-c2cc3nc[nH]c3cn2)c1F ZINC001236338103 1130915456 /nfs/dbraw/zinc/91/54/56/1130915456.db2.gz HJJSDJAEMSUMBA-UHFFFAOYSA-N 0 1 289.285 3.690 20 0 CHADMN CCC=CNc1ncnc2oc(-c3ccccc3C)nc21 ZINC001170766986 1130917558 /nfs/dbraw/zinc/91/75/58/1130917558.db2.gz KVOUJIOZSRHBBZ-RUDMXATFSA-N 0 1 280.331 3.929 20 0 CHADMN Fc1ccc(OC(F)F)c(N[C@@H]2CCCc3[nH]ncc32)c1 ZINC000796885041 1130942743 /nfs/dbraw/zinc/94/27/43/1130942743.db2.gz FAZXGDSSNJNGTD-SNVBAGLBSA-N 0 1 297.280 3.640 20 0 CHADMN Fc1ccc(N[C@@H]2CCCc3[nH]ncc32)c(OC(F)F)c1 ZINC000796916699 1130945709 /nfs/dbraw/zinc/94/57/09/1130945709.db2.gz BXMIZBFFOWMAIA-SNVBAGLBSA-N 0 1 297.280 3.640 20 0 CHADMN C[C@H](c1ccco1)N(C)C[C@@H](O)c1cc2ccccc2o1 ZINC000815027772 1130953633 /nfs/dbraw/zinc/95/36/33/1130953633.db2.gz IPCJVSHAABVQPS-TZMCWYRMSA-N 0 1 285.343 3.752 20 0 CHADMN C[C@H](CN(C)Cc1ncc(Cl)n1C)C1CCCCC1 ZINC000815086754 1130957307 /nfs/dbraw/zinc/95/73/07/1130957307.db2.gz URCVMEMBLMPEOH-GFCCVEGCSA-N 0 1 283.847 3.722 20 0 CHADMN c1ccc2ncc(CNc3cc4c(cn3)CCC4)cc2c1 ZINC000815159497 1130963183 /nfs/dbraw/zinc/96/31/83/1130963183.db2.gz UZSOYFCVKWBMCG-UHFFFAOYSA-N 0 1 275.355 3.731 20 0 CHADMN C[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)[C@H]1C ZINC000815163555 1130963710 /nfs/dbraw/zinc/96/37/10/1130963710.db2.gz PMGRHCBUYDDORT-NEPJUHHUSA-N 0 1 258.390 3.650 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cnn(C)c1Cl)CCC2 ZINC000815141656 1130965486 /nfs/dbraw/zinc/96/54/86/1130965486.db2.gz GQFYNNRITPMOHL-OAHLLOKOSA-N 0 1 289.810 3.549 20 0 CHADMN FC(F)(F)c1cc(CN2CCC[C@@H]3C[C@@H]32)cnc1Cl ZINC001236631792 1130984988 /nfs/dbraw/zinc/98/49/88/1130984988.db2.gz OCIFBIDSVTUNEM-KOLCDFICSA-N 0 1 290.716 3.738 20 0 CHADMN Fc1cc(CN2CC(c3ccccc3)C2)c2c(c1)CCCO2 ZINC001236628705 1130985116 /nfs/dbraw/zinc/98/51/16/1130985116.db2.gz CPSBKZYICBTSKY-UHFFFAOYSA-N 0 1 297.373 3.750 20 0 CHADMN COc1cccc(Br)c1CN1CCCC[C@H]1C ZINC001236670250 1130991328 /nfs/dbraw/zinc/99/13/28/1130991328.db2.gz QFSLGDIDRZLBKY-LLVKDONJSA-N 0 1 298.224 3.832 20 0 CHADMN CC1(C)CN(Cc2cccc3sccc32)CCO1 ZINC001236683820 1130992613 /nfs/dbraw/zinc/99/26/13/1130992613.db2.gz UYORSMPKKCGFIG-UHFFFAOYSA-N 0 1 261.390 3.512 20 0 CHADMN CCOc1ncc(CN2CCC(C(C)(C)C)CC2)cc1F ZINC001236691666 1130994482 /nfs/dbraw/zinc/99/44/82/1130994482.db2.gz YAUWIZDVEKWYLX-UHFFFAOYSA-N 0 1 294.414 3.878 20 0 CHADMN c1cc2c(cccc2CN2CCOC[C@@H]2C2CC2)s1 ZINC001236685176 1130994992 /nfs/dbraw/zinc/99/49/92/1130994992.db2.gz YSLQSKNGMSSMJF-OAHLLOKOSA-N 0 1 273.401 3.512 20 0 CHADMN Cc1cc(CN2CCS[C@H]3CCCC[C@@H]32)cc(Cl)n1 ZINC000797592360 1130995809 /nfs/dbraw/zinc/99/58/09/1130995809.db2.gz VUZIFGKDWYDVLO-KBPBESRZSA-N 0 1 296.867 3.903 20 0 CHADMN CCOc1ncc(CN2C3CCCC2CCC3)cc1F ZINC001236698827 1130996669 /nfs/dbraw/zinc/99/66/69/1130996669.db2.gz XNHIKKWILVOFKG-UHFFFAOYSA-N 0 1 278.371 3.526 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ccc(Br)c(O)c1 ZINC001236697600 1130996753 /nfs/dbraw/zinc/99/67/53/1130996753.db2.gz GLVXQCMCPZTGMZ-GFCCVEGCSA-N 0 1 298.224 3.919 20 0 CHADMN C[N@H+](Cc1ccc(F)c([O-])c1)C12CC3CC(CC(C3)C1)C2 ZINC001236706138 1130996794 /nfs/dbraw/zinc/99/67/94/1130996794.db2.gz UBJFPPHKLYBCMY-UHFFFAOYSA-N 0 1 289.394 3.932 20 0 CHADMN C[N@@H+](Cc1ccc(F)c([O-])c1)C12CC3CC(CC(C3)C1)C2 ZINC001236706138 1130996797 /nfs/dbraw/zinc/99/67/97/1130996797.db2.gz UBJFPPHKLYBCMY-UHFFFAOYSA-N 0 1 289.394 3.932 20 0 CHADMN [O-]c1cc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)ccc1F ZINC001236704745 1130996812 /nfs/dbraw/zinc/99/68/12/1130996812.db2.gz BADGZQWAQVHJBR-MRXNPFEDSA-N 0 1 285.362 3.911 20 0 CHADMN [O-]c1cc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)ccc1F ZINC001236704745 1130996814 /nfs/dbraw/zinc/99/68/14/1130996814.db2.gz BADGZQWAQVHJBR-MRXNPFEDSA-N 0 1 285.362 3.911 20 0 CHADMN C[N@@H+](Cc1ccc(F)c(O)c1)C(C)(C)Cc1ccccc1 ZINC001236708682 1130996989 /nfs/dbraw/zinc/99/69/89/1130996989.db2.gz RUXDIWGODXEFNT-UHFFFAOYSA-N 0 1 287.378 3.984 20 0 CHADMN C[N@H+](Cc1ccc(F)c([O-])c1)C(C)(C)Cc1ccccc1 ZINC001236708682 1130996996 /nfs/dbraw/zinc/99/69/96/1130996996.db2.gz RUXDIWGODXEFNT-UHFFFAOYSA-N 0 1 287.378 3.984 20 0 CHADMN C[N@@H+](Cc1ccc(F)c([O-])c1)C(C)(C)Cc1ccccc1 ZINC001236708682 1130996998 /nfs/dbraw/zinc/99/69/98/1130996998.db2.gz RUXDIWGODXEFNT-UHFFFAOYSA-N 0 1 287.378 3.984 20 0 CHADMN CCN(CCn1ccnc1)Cc1ccc(F)c(C)c1Cl ZINC001236713485 1130997152 /nfs/dbraw/zinc/99/71/52/1130997152.db2.gz IPUOSRBAESOCBN-UHFFFAOYSA-N 0 1 295.789 3.506 20 0 CHADMN CCOC1CCN(Cc2ccc(F)c(C)c2Cl)CC1 ZINC001236711400 1130997877 /nfs/dbraw/zinc/99/78/77/1130997877.db2.gz MMSAQISBAMRVEK-UHFFFAOYSA-N 0 1 285.790 3.788 20 0 CHADMN FC[C@@H]1CCCN(Cc2ccc(OC(F)F)cc2F)C1 ZINC001236720594 1130999590 /nfs/dbraw/zinc/99/95/90/1130999590.db2.gz OSPSMDPVUXMADW-JTQLQIEISA-N 0 1 291.288 3.609 20 0 CHADMN Fc1cc(OC(F)F)ccc1CN1CCCCC12CC2 ZINC001236725139 1130999982 /nfs/dbraw/zinc/99/99/82/1130999982.db2.gz RJXDYJBEMMUPDT-UHFFFAOYSA-N 0 1 285.309 3.946 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(Cl)cc(C(=O)OC)c1 ZINC001236775347 1131004377 /nfs/dbraw/zinc/00/43/77/1131004377.db2.gz KBBJJHSBOWGAJF-OAHLLOKOSA-N 0 1 295.810 3.891 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)N[C@@H](CO)c1ccc(F)cc1 ZINC000815593658 1131006467 /nfs/dbraw/zinc/00/64/67/1131006467.db2.gz SWILSXFHZPXSCB-PXAZEXFGSA-N 0 1 291.341 3.657 20 0 CHADMN COc1cc(CN2CC[C@@H]3CCC[C@H]3C2)c(F)cc1F ZINC001236819771 1131013977 /nfs/dbraw/zinc/01/39/77/1131013977.db2.gz DPFWEUBIDBKPIQ-RYUDHWBXSA-N 0 1 281.346 3.595 20 0 CHADMN Cc1cc(Br)sc1CN1CC2CC(C2)C1 ZINC001236834949 1131019889 /nfs/dbraw/zinc/01/98/89/1131019889.db2.gz ZKXQMUNWXDQZHH-UHFFFAOYSA-N 0 1 286.238 3.661 20 0 CHADMN COc1cc(CN2CCC3(CCCC3)C2)c(F)cc1F ZINC001236835234 1131020085 /nfs/dbraw/zinc/02/00/85/1131020085.db2.gz PSPLNSTXAYYMEJ-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN Cc1cccc(CN2CC[C@H]3CCCO[C@H]3C2)c1Cl ZINC001236855929 1131024136 /nfs/dbraw/zinc/02/41/36/1131024136.db2.gz JUOGJLYRQWOAAY-HIFRSBDPSA-N 0 1 279.811 3.649 20 0 CHADMN Fc1ccc(CN2CC3(C2)C[C@@H](F)CS3)c2occc21 ZINC001236898568 1131029817 /nfs/dbraw/zinc/02/98/17/1131029817.db2.gz NOGZLMVTEIUIJO-LLVKDONJSA-N 0 1 295.354 3.601 20 0 CHADMN Clc1cc(-n2ccnc2)ccc1CN1CCC[C@H]2C[C@H]21 ZINC001236920637 1131030817 /nfs/dbraw/zinc/03/08/17/1131030817.db2.gz YJXTVQZSGFBWCH-BLLLJJGKSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1ccc(-c2cncc(CN3C[C@@H]4C[C@@H]4[C@@H](F)C3)c2)cc1 ZINC001236990891 1131034493 /nfs/dbraw/zinc/03/44/93/1131034493.db2.gz KKZMPCOCYTUWPP-FHWLQOOXSA-N 0 1 296.389 3.847 20 0 CHADMN CO[C@H](C)C1CN(Cc2cncc(-c3ccc(C)cc3)c2)C1 ZINC001236995483 1131035337 /nfs/dbraw/zinc/03/53/37/1131035337.db2.gz CAYSPMRAWXEBCH-OAHLLOKOSA-N 0 1 296.414 3.524 20 0 CHADMN CN(C)Cc1cc(NCc2ccc(F)nc2)ccc1Cl ZINC000798503869 1131039910 /nfs/dbraw/zinc/03/99/10/1131039910.db2.gz UNRPAIKSFSUAAU-UHFFFAOYSA-N 0 1 293.773 3.548 20 0 CHADMN O=C(NC1CCCCCCC1)c1cc(F)cc(F)c1O ZINC001135373745 1131051537 /nfs/dbraw/zinc/05/15/37/1131051537.db2.gz XMYUDJDELGCJHD-UHFFFAOYSA-N 0 1 283.318 3.513 20 0 CHADMN CC(C)[C@H](C(=O)O[C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC000798818595 1131051885 /nfs/dbraw/zinc/05/18/85/1131051885.db2.gz YYPXGHREFHTIAW-SMDDNHRTSA-N 0 1 283.799 3.530 20 0 CHADMN Cc1c(F)c(F)ccc1CN(C)Cc1cccc(O)c1 ZINC001237153639 1131059758 /nfs/dbraw/zinc/05/97/58/1131059758.db2.gz KVDCRWZIJGPFOC-UHFFFAOYSA-N 0 1 277.314 3.611 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@@H]1CCCc3cccnc31)CCC2 ZINC000798932325 1131061514 /nfs/dbraw/zinc/06/15/14/1131061514.db2.gz KPNHPKZOWYVITB-UKRRQHHQSA-N 0 1 299.443 3.891 20 0 CHADMN CCN(Cc1ccccn1)Cc1ccc(F)c(F)c1C ZINC001237161452 1131061960 /nfs/dbraw/zinc/06/19/60/1131061960.db2.gz KBPYYTMBHWMBPK-UHFFFAOYSA-N 0 1 276.330 3.690 20 0 CHADMN Cc1c(CN2C[C@H]3CC[C@@H](C2)C3(F)F)ccc(F)c1F ZINC001237159212 1131062829 /nfs/dbraw/zinc/06/28/29/1131062829.db2.gz SRZXOAZNFVQGFW-TXEJJXNPSA-N 0 1 287.300 3.750 20 0 CHADMN COc1cccc([C@H]2CC[N@H+](Cc3occc3[S-])C2)c1 ZINC001237186600 1131067047 /nfs/dbraw/zinc/06/70/47/1131067047.db2.gz MKPXJUXWOFTZQF-ZDUSSCGKSA-N 0 1 289.400 3.566 20 0 CHADMN COc1cccc([C@H]2CC[N@@H+](Cc3occc3[S-])C2)c1 ZINC001237186600 1131067053 /nfs/dbraw/zinc/06/70/53/1131067053.db2.gz MKPXJUXWOFTZQF-ZDUSSCGKSA-N 0 1 289.400 3.566 20 0 CHADMN CC(C)C[C@H](C)CN(C)CC(=O)Nc1ccccc1Cl ZINC000799111471 1131070145 /nfs/dbraw/zinc/07/01/45/1131070145.db2.gz DOROTYHWMKOHOU-ZDUSSCGKSA-N 0 1 296.842 3.893 20 0 CHADMN COc1nc(Cl)ccc1CN1CCC[C@@H]2CCCC[C@H]21 ZINC001237242393 1131072257 /nfs/dbraw/zinc/07/22/57/1131072257.db2.gz FARXVKZXMWQQEA-GXTWGEPZSA-N 0 1 294.826 3.898 20 0 CHADMN CC(C)(C(=O)OCc1ccc2ccccc2c1)N1CCCC1 ZINC000805612877 1131072671 /nfs/dbraw/zinc/07/26/71/1131072671.db2.gz CRYWNYSDCLCUID-UHFFFAOYSA-N 0 1 297.398 3.757 20 0 CHADMN FC(F)(F)c1cccc(CN2CCNC3=CCCC[C@@H]32)c1 ZINC001237218066 1131072812 /nfs/dbraw/zinc/07/28/12/1131072812.db2.gz DYPXAEPIYHRCJD-HNNXBMFYSA-N 0 1 296.336 3.547 20 0 CHADMN CC(C)CC[C@@H]1CCCN1Cc1cnc(Cl)cn1 ZINC000799127497 1131073457 /nfs/dbraw/zinc/07/34/57/1131073457.db2.gz QKBXNPGKPXAOMM-ZDUSSCGKSA-N 0 1 267.804 3.531 20 0 CHADMN C[C@@H]1CCN(Cc2cnc(Cl)cn2)CC12CCCCC2 ZINC000799164743 1131073541 /nfs/dbraw/zinc/07/35/41/1131073541.db2.gz OKRAHMJNTWTDOG-CYBMUJFWSA-N 0 1 293.842 3.922 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1ccc(Cl)nc1OC ZINC001237245753 1131074016 /nfs/dbraw/zinc/07/40/16/1131074016.db2.gz XWWRCEBKMAKGHY-CYBMUJFWSA-N 0 1 282.815 3.898 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CC[C@H](c2ccccn2)C1 ZINC000799193682 1131075695 /nfs/dbraw/zinc/07/56/95/1131075695.db2.gz QERNRFLCXYTFLG-STQMWFEESA-N 0 1 288.341 3.910 20 0 CHADMN Oc1cc(F)cc(CN2CCC(c3cccs3)CC2)c1 ZINC001237278607 1131076330 /nfs/dbraw/zinc/07/63/30/1131076330.db2.gz IJFHRCNBRIEDDZ-UHFFFAOYSA-N 0 1 291.391 3.972 20 0 CHADMN Cc1cc(F)cc(C)c1CN1CCc2c(O)cccc2C1 ZINC001237316579 1131081320 /nfs/dbraw/zinc/08/13/20/1131081320.db2.gz FIDJGALSYSVBPX-UHFFFAOYSA-N 0 1 285.362 3.706 20 0 CHADMN Cc1cc(F)cc(C)c1CN1CCCC[C@@H](F)C1 ZINC001237316989 1131081501 /nfs/dbraw/zinc/08/15/01/1131081501.db2.gz GKXMNKDLYJRJOT-CYBMUJFWSA-N 0 1 253.336 3.767 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cc(C(F)(F)F)n[nH]1)CC2 ZINC000799335475 1131081610 /nfs/dbraw/zinc/08/16/10/1131081610.db2.gz DYJHLBIQUFILKB-ZDUSSCGKSA-N 0 1 295.308 3.514 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC[C@@H](O)CC2)c1Cl ZINC001237328751 1131084959 /nfs/dbraw/zinc/08/49/59/1131084959.db2.gz SZHBITOOZMHJQT-LLVKDONJSA-N 0 1 288.218 3.649 20 0 CHADMN CCc1cccc(C)c1C[N@H+]1CCc2cnc(OC)cc2C1 ZINC001237334168 1131087121 /nfs/dbraw/zinc/08/71/21/1131087121.db2.gz QFWYCRVCLCGBHY-UHFFFAOYSA-N 0 1 296.414 3.519 20 0 CHADMN CCc1cccc(C)c1CN1CCc2cnc(OC)cc2C1 ZINC001237334168 1131087125 /nfs/dbraw/zinc/08/71/25/1131087125.db2.gz QFWYCRVCLCGBHY-UHFFFAOYSA-N 0 1 296.414 3.519 20 0 CHADMN CN(Cc1ccc(OC(F)F)c(F)c1)C1CC(F)(F)C1 ZINC001237352742 1131088726 /nfs/dbraw/zinc/08/87/26/1131088726.db2.gz IZRSOPDFAPSYQT-UHFFFAOYSA-N 0 1 295.251 3.657 20 0 CHADMN FC[C@H]1CCCN(Cc2ccc(OC(F)F)c(F)c2)C1 ZINC001237357243 1131090782 /nfs/dbraw/zinc/09/07/82/1131090782.db2.gz PPTMBHFRBYDNPF-LLVKDONJSA-N 0 1 291.288 3.609 20 0 CHADMN Fc1cc(CN2CCCCC23CC3)ccc1OC(F)F ZINC001237354351 1131091101 /nfs/dbraw/zinc/09/11/01/1131091101.db2.gz BLYBYPNDGKZBJJ-UHFFFAOYSA-N 0 1 285.309 3.946 20 0 CHADMN CN(C)Cc1cc(Cl)ccc1NC(=O)OC(C)(C)C ZINC001237367014 1131092904 /nfs/dbraw/zinc/09/29/04/1131092904.db2.gz MBWNVYMYHCTMBO-UHFFFAOYSA-N 0 1 284.787 3.749 20 0 CHADMN Cc1ccc(F)c(CN(C)[C@H]2CC[C@H](O)CC2)c1Cl ZINC001138023026 1131092800 /nfs/dbraw/zinc/09/28/00/1131092800.db2.gz WTHWWFAVARUGEW-HAQNSBGRSA-N 0 1 285.790 3.523 20 0 CHADMN CC(C)(C)OC(=O)Nc1c(F)cccc1CN1CCCC1 ZINC001237359627 1131093219 /nfs/dbraw/zinc/09/32/19/1131093219.db2.gz OUHBTEDTBQVKLC-UHFFFAOYSA-N 0 1 294.370 3.769 20 0 CHADMN CC(C)(C)C(=O)Nc1ccccc1CN1CCC(F)CC1 ZINC001237397944 1131094013 /nfs/dbraw/zinc/09/40/13/1131094013.db2.gz WZPYENDUXDWXCA-UHFFFAOYSA-N 0 1 292.398 3.605 20 0 CHADMN COc1ccc2c(c1)[nH]nc2CN1CCC2(CCCC2)CC1 ZINC001237390194 1131094214 /nfs/dbraw/zinc/09/42/14/1131094214.db2.gz UVKQKPXONFSQBU-UHFFFAOYSA-N 0 1 299.418 3.728 20 0 CHADMN CC(C)(C)C1CCN(Cc2cc3ccccn3n2)CC1 ZINC001237440045 1131096771 /nfs/dbraw/zinc/09/67/71/1131096771.db2.gz WMQNNPBTEXDBOP-UHFFFAOYSA-N 0 1 271.408 3.592 20 0 CHADMN Clc1[nH]c2cnccc2c1CN1CC2(C1)CCCC2 ZINC001237448817 1131099445 /nfs/dbraw/zinc/09/94/45/1131099445.db2.gz JXWKOIJOXKEVBR-UHFFFAOYSA-N 0 1 275.783 3.592 20 0 CHADMN Cc1cnc(OC(C)C)c(-c2cc(O)c(F)c(F)c2F)c1 ZINC001245639386 1131100248 /nfs/dbraw/zinc/10/02/48/1131100248.db2.gz PHTOKJYMTPBDPX-UHFFFAOYSA-N 0 1 297.276 3.967 20 0 CHADMN COc1cccc(-c2cc(O)c(F)c(F)c2F)c1F ZINC001245638036 1131102589 /nfs/dbraw/zinc/10/25/89/1131102589.db2.gz BYVKFCYUWRCIMD-UHFFFAOYSA-N 0 1 272.197 3.624 20 0 CHADMN COc1c(C)cccc1CN(C)CCOc1ccccc1 ZINC001237510261 1131107492 /nfs/dbraw/zinc/10/74/92/1131107492.db2.gz GVGAPVZMTXLGHH-UHFFFAOYSA-N 0 1 285.387 3.514 20 0 CHADMN CC(C)n1ccc2c1ncnc2-c1c(O)cccc1F ZINC001245654734 1131108389 /nfs/dbraw/zinc/10/83/89/1131108389.db2.gz UTPLZJOOCZOHCB-UHFFFAOYSA-N 0 1 271.295 3.524 20 0 CHADMN C[N@@H+](Cc1ccccc1)Cc1cc(Cl)nc(Cl)c1[O-] ZINC001237524784 1131110728 /nfs/dbraw/zinc/11/07/28/1131110728.db2.gz HYSGIHWJTAYJNX-UHFFFAOYSA-N 0 1 297.185 3.726 20 0 CHADMN C[N@H+](Cc1ccccc1)Cc1cc(Cl)nc(Cl)c1[O-] ZINC001237524784 1131110725 /nfs/dbraw/zinc/11/07/25/1131110725.db2.gz HYSGIHWJTAYJNX-UHFFFAOYSA-N 0 1 297.185 3.726 20 0 CHADMN CC1(C)CN(Cc2cccc(-c3ccccc3)n2)C1 ZINC001237542225 1131111880 /nfs/dbraw/zinc/11/18/80/1131111880.db2.gz FAKRTQJYILAARQ-UHFFFAOYSA-N 0 1 252.361 3.590 20 0 CHADMN [O-]c1c(C[N@H+]2CCCCC23CC3)cc(Cl)nc1Cl ZINC001237536442 1131112241 /nfs/dbraw/zinc/11/22/41/1131112241.db2.gz COTXSVKQXLPUBW-UHFFFAOYSA-N 0 1 287.190 3.613 20 0 CHADMN Fc1cc(F)c(F)c(CN[C@H]2CC[C@H]2C2CC2)c1F ZINC000806148091 1131114302 /nfs/dbraw/zinc/11/43/02/1131114302.db2.gz QHOUNXJNKLVDMB-UFBFGSQYSA-N 0 1 273.273 3.521 20 0 CHADMN COc1ccc(OC)c(CN2CCCCC[C@H]2C)c1F ZINC001237572370 1131115541 /nfs/dbraw/zinc/11/55/41/1131115541.db2.gz RJBNMWNMVCLGGZ-GFCCVEGCSA-N 0 1 281.371 3.607 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2cnn(C)c2Cl)C1 ZINC000816609662 1131115582 /nfs/dbraw/zinc/11/55/82/1131115582.db2.gz IPFPFPVSBMUBFS-DOMZBBRYSA-N 0 1 289.810 3.657 20 0 CHADMN CCN(Cc1cccc(-c2ccccc2)c1C)C1COC1 ZINC001237582092 1131115743 /nfs/dbraw/zinc/11/57/43/1131115743.db2.gz BOQZHIDVRAXYKF-UHFFFAOYSA-N 0 1 281.399 3.883 20 0 CHADMN COc1ccc(OC)c(CN2CCC3(CCCC3)C2)c1F ZINC001237584948 1131116051 /nfs/dbraw/zinc/11/60/51/1131116051.db2.gz MHCHYPVDMAVNQT-UHFFFAOYSA-N 0 1 293.382 3.609 20 0 CHADMN COc1ccc(OC)c(CN(C)[C@H]2CC[C@H](C)CC2)c1F ZINC001237593462 1131117852 /nfs/dbraw/zinc/11/78/52/1131117852.db2.gz URKRLYHPCWYDFN-JOCQHMNTSA-N 0 1 295.398 3.853 20 0 CHADMN CCOc1cc(CN2C[C@@H](C)[C@H]2C)ccc1OC(F)F ZINC000816649475 1131120330 /nfs/dbraw/zinc/12/03/30/1131120330.db2.gz ZXAZBJBINDRVFS-GHMZBOCLSA-N 0 1 285.334 3.527 20 0 CHADMN Cc1ccc2nc(CN3CC[C@H]4CCCC[C@H]4C3)cn2c1 ZINC001115858162 1131121156 /nfs/dbraw/zinc/12/11/56/1131121156.db2.gz IBKFIZPTUZOJEH-CVEARBPZSA-N 0 1 283.419 3.655 20 0 CHADMN Oc1cc(F)c(-c2cc(F)c3nccnc3c2)cc1Cl ZINC001245671018 1131121713 /nfs/dbraw/zinc/12/17/13/1131121713.db2.gz BDLTWRJZPQQDSO-UHFFFAOYSA-N 0 1 292.672 3.934 20 0 CHADMN CCOc1ccc(CN2CCCCC23CC3)c(F)c1 ZINC001237632992 1131121765 /nfs/dbraw/zinc/12/17/65/1131121765.db2.gz NUZCAGLZWDCPQR-UHFFFAOYSA-N 0 1 263.356 3.743 20 0 CHADMN Cc1coc(CN2CCC(C)(c3ccccc3)CC2)n1 ZINC001237637366 1131122026 /nfs/dbraw/zinc/12/20/26/1131122026.db2.gz BLTFSQTVMWTAAZ-UHFFFAOYSA-N 0 1 270.376 3.537 20 0 CHADMN Oc1cc(F)c(-c2ccc3c(c2)CCN3)cc1Cl ZINC001245670275 1131122290 /nfs/dbraw/zinc/12/22/90/1131122290.db2.gz VDZVJJIYMZBCBM-UHFFFAOYSA-N 0 1 263.699 3.820 20 0 CHADMN Cc1nnc(SCc2ccc(CC(C)C)cc2)[nH]1 ZINC001115934208 1131123397 /nfs/dbraw/zinc/12/33/97/1131123397.db2.gz PXYFPNNOZCTDBY-UHFFFAOYSA-N 0 1 261.394 3.604 20 0 CHADMN C[C@@H]1CN(Cc2ccc(-c3ccc(O)cc3)cc2)C[C@H](C)O1 ZINC001237661463 1131124584 /nfs/dbraw/zinc/12/45/84/1131124584.db2.gz IWWALWDRISKNPD-GASCZTMLSA-N 0 1 297.398 3.668 20 0 CHADMN Cc1cccc([C@H]2CCCCCN2CC(=O)OC(C)C)c1 ZINC001116093290 1131129150 /nfs/dbraw/zinc/12/91/50/1131129150.db2.gz QGTHVPJGZKFCCO-QGZVFWFLSA-N 0 1 289.419 3.864 20 0 CHADMN CC[C@H](C)[C@H](C)N(C(=O)c1cnc(C(C)C)[nH]1)C1CC1 ZINC001116117180 1131129225 /nfs/dbraw/zinc/12/92/25/1131129225.db2.gz DQTDWOMEDWKRHN-RYUDHWBXSA-N 0 1 277.412 3.572 20 0 CHADMN COc1ccc(C)c(C[N@H+]2Cc3ccccc3C[C@@H]2C)c1 ZINC001237708970 1131130889 /nfs/dbraw/zinc/13/08/89/1131130889.db2.gz DLQFGUNGFQYNIR-HNNXBMFYSA-N 0 1 281.399 3.950 20 0 CHADMN CC[C@H](C)CONC(=O)[C@@H](c1ccccc1)C(C)C ZINC000816980153 1131135012 /nfs/dbraw/zinc/13/50/12/1131135012.db2.gz GINCLHAXTMWBKI-DZGCQCFKSA-N 0 1 263.381 3.520 20 0 CHADMN Cc1c(Cl)cccc1CN1CC[C@@H]2CCCO[C@H]2C1 ZINC001237733724 1131135285 /nfs/dbraw/zinc/13/52/85/1131135285.db2.gz GMAFBFBGUBHJAK-BBRMVZONSA-N 0 1 279.811 3.649 20 0 CHADMN CC[C@@H](C)CONC(=O)[C@@H](c1ccccc1)C(C)C ZINC000816980155 1131135432 /nfs/dbraw/zinc/13/54/32/1131135432.db2.gz GINCLHAXTMWBKI-UKRRQHHQSA-N 0 1 263.381 3.520 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(F)cc2F)C(C)(C)C)[nH]n1 ZINC001116256034 1131136652 /nfs/dbraw/zinc/13/66/52/1131136652.db2.gz UXTWHJZSQBDDFZ-HNNXBMFYSA-N 0 1 293.361 3.873 20 0 CHADMN Cc1nnc(SCCC2C[C@@H](C)C[C@H](C)C2)[nH]1 ZINC001116248906 1131136983 /nfs/dbraw/zinc/13/69/83/1131136983.db2.gz YNAZUGGYFAQSLW-UWVGGRQHSA-N 0 1 253.415 3.668 20 0 CHADMN CCO[C@@H]1CCN(Cc2ccc(Cl)c(CC)c2)C1 ZINC001237742827 1131137687 /nfs/dbraw/zinc/13/76/87/1131137687.db2.gz XDKLBBIEIAJYCE-CQSZACIVSA-N 0 1 267.800 3.513 20 0 CHADMN CCCO[C@H]1CCN(Cc2ccc(Cl)c(CC)c2)C1 ZINC001237743960 1131138096 /nfs/dbraw/zinc/13/80/96/1131138096.db2.gz HOGJDWSXRYXUHL-HNNXBMFYSA-N 0 1 281.827 3.903 20 0 CHADMN Cc1cnc(CN(Cc2ccccc2)C[Si](C)(C)C)nc1 ZINC001237806148 1131142200 /nfs/dbraw/zinc/14/22/00/1131142200.db2.gz OYGCGPIFLVBFLT-UHFFFAOYSA-N 0 1 299.494 3.665 20 0 CHADMN Cc1nc(C[N@H+]2CCC[C@H](c3ccccc3)C2)ccc1F ZINC001237818769 1131144023 /nfs/dbraw/zinc/14/40/23/1131144023.db2.gz XHEHHSUAJRUARX-INIZCTEOSA-N 0 1 284.378 3.909 20 0 CHADMN CC[N@@H+](Cc1cccs1)Cc1ccc(F)c(C)n1 ZINC001237819170 1131144346 /nfs/dbraw/zinc/14/43/46/1131144346.db2.gz BNQJIBZTUHSTJD-UHFFFAOYSA-N 0 1 264.369 3.613 20 0 CHADMN CCN(Cc1cccs1)Cc1ccc(F)c(C)n1 ZINC001237819170 1131144349 /nfs/dbraw/zinc/14/43/49/1131144349.db2.gz BNQJIBZTUHSTJD-UHFFFAOYSA-N 0 1 264.369 3.613 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001237876090 1131146907 /nfs/dbraw/zinc/14/69/07/1131146907.db2.gz CQRVRZBFLGURBF-UONOGXRCSA-N 0 1 299.418 3.640 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CCCCC[C@@H]1C ZINC001237874979 1131147010 /nfs/dbraw/zinc/14/70/10/1131147010.db2.gz IUPKMFVPBCWRNE-ZDUSSCGKSA-N 0 1 287.407 3.783 20 0 CHADMN CCOc1cc(F)cc(CN(C)Cc2cccc(F)c2)c1 ZINC001237911895 1131152195 /nfs/dbraw/zinc/15/21/95/1131152195.db2.gz ARJUDCHQFIINKC-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN CCOc1cc(F)cc(CN(C)Cc2cccs2)c1 ZINC001237916763 1131152204 /nfs/dbraw/zinc/15/22/04/1131152204.db2.gz JHXNSMIFGWQIQB-UHFFFAOYSA-N 0 1 279.380 3.918 20 0 CHADMN CC[C@@](N)(CO)Nc1ccc(/C=C/c2ccc(C)cc2)cc1 ZINC001170861354 1131152624 /nfs/dbraw/zinc/15/26/24/1131152624.db2.gz AAPYBJSQURNXAC-SGQUHAKNSA-N 0 1 296.414 3.635 20 0 CHADMN CN(Cc1cnc(C(F)(F)F)s1)C[C@H]1CC1(C)C ZINC001237948131 1131154886 /nfs/dbraw/zinc/15/48/86/1131154886.db2.gz XJCXUOQKJMORSF-MRVPVSSYSA-N 0 1 278.343 3.640 20 0 CHADMN CCOc1ccc(CN(CC)Cc2cccnc2)cc1F ZINC001237957159 1131155131 /nfs/dbraw/zinc/15/51/31/1131155131.db2.gz WGXQGZZVODXYDS-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN CC(C)[C@H](C(=O)NOCC1CC1)c1cccc(Cl)c1 ZINC000817344778 1131155252 /nfs/dbraw/zinc/15/52/52/1131155252.db2.gz UFBHOBNRPKCDSL-AWEZNQCLSA-N 0 1 281.783 3.537 20 0 CHADMN CC(C)n1ncc2c1[C@H](N[C@@H](C)c1cncs1)CCC2 ZINC001116604761 1131156829 /nfs/dbraw/zinc/15/68/29/1131156829.db2.gz UYORZZOHIXUQGZ-WCQYABFASA-N 0 1 290.436 3.649 20 0 CHADMN Cc1sccc1C[N@@H+](C)CCC(=O)c1ccccc1 ZINC001237970723 1131157268 /nfs/dbraw/zinc/15/72/68/1131157268.db2.gz MOTUFJSNJNSRJD-UHFFFAOYSA-N 0 1 273.401 3.761 20 0 CHADMN Cc1sccc1CN(C)CCC(=O)c1ccccc1 ZINC001237970723 1131157271 /nfs/dbraw/zinc/15/72/71/1131157271.db2.gz MOTUFJSNJNSRJD-UHFFFAOYSA-N 0 1 273.401 3.761 20 0 CHADMN CCC[N@H+](Cc1cc(F)c([O-])c(Cl)c1)CC1CC1 ZINC001237991152 1131157530 /nfs/dbraw/zinc/15/75/30/1131157530.db2.gz WJCNXACHBQXYKD-UHFFFAOYSA-N 0 1 271.763 3.807 20 0 CHADMN Cc1cc(Cl)ccc1OC(=O)c1ccc(CN(C)C)o1 ZINC001135911785 1131158057 /nfs/dbraw/zinc/15/80/57/1131158057.db2.gz WUWYTENFUKPMCR-UHFFFAOYSA-N 0 1 293.750 3.522 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cc(F)c([O-])c(Cl)c2)[C@H]1C ZINC001237990846 1131158528 /nfs/dbraw/zinc/15/85/28/1131158528.db2.gz ZKVBAUBUJMRKJI-UWVGGRQHSA-N 0 1 271.763 3.805 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cc(F)c([O-])c(Cl)c2)CC1 ZINC001237984329 1131158821 /nfs/dbraw/zinc/15/88/21/1131158821.db2.gz NRWULHGTFZRIAV-SNVBAGLBSA-N 0 1 271.763 3.807 20 0 CHADMN C[N@H+](Cc1cc(F)c([O-])c(Cl)c1)C[C@@H]1CC1(C)C ZINC001237996925 1131159893 /nfs/dbraw/zinc/15/98/93/1131159893.db2.gz KDGKFRIOMHYIME-JTQLQIEISA-N 0 1 271.763 3.663 20 0 CHADMN Clc1ccc2c(c1)n[nH]c2CN1CC2CCC1CC2 ZINC001238001276 1131160014 /nfs/dbraw/zinc/16/00/14/1131160014.db2.gz UZWALAMIRVTUMR-UHFFFAOYSA-N 0 1 275.783 3.591 20 0 CHADMN Clc1ccc2c(c1)n[nH]c2CN1CCC[C@@H]2CCC[C@H]21 ZINC001238000620 1131160176 /nfs/dbraw/zinc/16/01/76/1131160176.db2.gz LYQVHLVINCUJDI-MEDUHNTESA-N 0 1 289.810 3.981 20 0 CHADMN COc1ccc(C(F)(F)F)c(CN2CCC(C)(C)C2)c1 ZINC001238055383 1131164533 /nfs/dbraw/zinc/16/45/33/1131164533.db2.gz RENVDJFTBJMPQI-UHFFFAOYSA-N 0 1 287.325 3.946 20 0 CHADMN COc1ccc(C(F)(F)F)c(CN2CC3CC(C3)C2)c1 ZINC001238049432 1131164577 /nfs/dbraw/zinc/16/45/77/1131164577.db2.gz BHTCDHLQAWIYJJ-UHFFFAOYSA-N 0 1 285.309 3.556 20 0 CHADMN Cc1ccc(-c2nc(CN3CC4CC(C4)C3)cs2)cc1 ZINC001238042168 1131164611 /nfs/dbraw/zinc/16/46/11/1131164611.db2.gz MSJLXVOSOYOREI-UHFFFAOYSA-N 0 1 284.428 3.960 20 0 CHADMN CCOC(=O)c1c(Cl)cccc1CN(CC)C1CC1 ZINC001238042012 1131165215 /nfs/dbraw/zinc/16/52/15/1131165215.db2.gz GNVNXPAQNUYMOT-UHFFFAOYSA-N 0 1 281.783 3.501 20 0 CHADMN CC(C)c1ocnc1CN1CC[C@@H](c2cccc(F)c2)C1 ZINC001116819587 1131165732 /nfs/dbraw/zinc/16/57/32/1131165732.db2.gz IBAXDYLIFBTJCG-CQSZACIVSA-N 0 1 288.366 3.927 20 0 CHADMN C[C@H](c1ccco1)N(C)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001116875361 1131168388 /nfs/dbraw/zinc/16/83/88/1131168388.db2.gz GFFPEQVXFQJHEV-CQSZACIVSA-N 0 1 295.386 3.873 20 0 CHADMN CCOc1cc(C[N@@H+](C)Cc2cccnc2C)ccc1C ZINC001238076598 1131168500 /nfs/dbraw/zinc/16/85/00/1131168500.db2.gz NVXYHTTZDNZEGC-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN CCOc1cc(CN(C)Cc2cccnc2C)ccc1C ZINC001238076598 1131168503 /nfs/dbraw/zinc/16/85/03/1131168503.db2.gz NVXYHTTZDNZEGC-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN CSc1ccc(Nc2ccc3c[nH]nc3c2)c(C)n1 ZINC001159663163 1131170162 /nfs/dbraw/zinc/17/01/62/1131170162.db2.gz RWGVAYDUOHNSPU-UHFFFAOYSA-N 0 1 270.361 3.732 20 0 CHADMN Cc1ccc(O)cc1CN1CCCC[C@H]1c1cccnc1 ZINC001238093578 1131171225 /nfs/dbraw/zinc/17/12/25/1131171225.db2.gz GTZBNDHGILSDJK-SFHVURJKSA-N 0 1 282.387 3.823 20 0 CHADMN COC1([C@@H](C)Nc2ccc(CN(C)C)c(F)c2)CCCC1 ZINC000817585834 1131173635 /nfs/dbraw/zinc/17/36/35/1131173635.db2.gz NDAJDEHLEYDECT-CYBMUJFWSA-N 0 1 294.414 3.647 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@@H+]1CCC[C@H](C)[C@@H](C)C1 ZINC001238142213 1131174367 /nfs/dbraw/zinc/17/43/67/1131174367.db2.gz PSIZMOQIYVHQHX-JSGCOSHPSA-N 0 1 275.392 3.561 20 0 CHADMN CCN(Cc1ccccn1)Cc1cc(Cl)c(O)cc1F ZINC001238150734 1131175053 /nfs/dbraw/zinc/17/50/53/1131175053.db2.gz XZASWVANDMYIBT-UHFFFAOYSA-N 0 1 294.757 3.602 20 0 CHADMN Oc1cc(F)c(CN2CCc3ccccc3C2)cc1Cl ZINC001238144846 1131175118 /nfs/dbraw/zinc/17/51/18/1131175118.db2.gz YCRJIAOZPGXIOA-UHFFFAOYSA-N 0 1 291.753 3.743 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c([O-])cc2F)[C@@H]1C ZINC001238153143 1131176009 /nfs/dbraw/zinc/17/60/09/1131176009.db2.gz XNJJMIGRZYSQGL-NXEZZACHSA-N 0 1 271.763 3.805 20 0 CHADMN C[C@]1(F)CCCCN(Cc2cncc(C3CC3)c2)C1 ZINC001238181889 1131177906 /nfs/dbraw/zinc/17/79/06/1131177906.db2.gz MGFFPRLSEFEBMS-INIZCTEOSA-N 0 1 262.372 3.673 20 0 CHADMN C[N@@H+](C/C=C/c1ccccc1)Cc1ccc(F)cc1C(=O)[O-] ZINC001238239362 1131185640 /nfs/dbraw/zinc/18/56/40/1131185640.db2.gz VCKHPLRXIAYVDZ-VMPITWQZSA-N 0 1 299.345 3.669 20 0 CHADMN CCOc1cc(Br)cc(CN2CC[C@H](C)C2)c1 ZINC001238246767 1131185925 /nfs/dbraw/zinc/18/59/25/1131185925.db2.gz KHUBLRXAYSQGNJ-NSHDSACASA-N 0 1 298.224 3.690 20 0 CHADMN CCC[N@@H+](Cc1ccc(F)cc1C(=O)[O-])[C@H](C)CC ZINC001238236589 1131186205 /nfs/dbraw/zinc/18/62/05/1131186205.db2.gz FJTGZFWZGJMZHN-LLVKDONJSA-N 0 1 267.344 3.534 20 0 CHADMN Cc1cc(Cl)c(Cl)cc1CN1CCC2(COC2)C1 ZINC001238265447 1131187034 /nfs/dbraw/zinc/18/70/34/1131187034.db2.gz ZIOIIQNNYSPHPK-UHFFFAOYSA-N 0 1 286.202 3.524 20 0 CHADMN Cc1cc(CN2CCC[C@]3(CCOC3)C2)c(F)cc1Cl ZINC001238297858 1131188578 /nfs/dbraw/zinc/18/85/78/1131188578.db2.gz DLBVJGIFXPJSBD-INIZCTEOSA-N 0 1 297.801 3.790 20 0 CHADMN Cc1cc(CN2C3CCC2CC3)c(F)cc1Cl ZINC001238303558 1131190107 /nfs/dbraw/zinc/19/01/07/1131190107.db2.gz PZAOOGODBRAZCQ-UHFFFAOYSA-N 0 1 253.748 3.914 20 0 CHADMN CO[C@H]1CCN(Cc2cc(C)c(Cl)cc2F)[C@@H](C)C1 ZINC001238303999 1131190156 /nfs/dbraw/zinc/19/01/56/1131190156.db2.gz DGMGITMLGSNGRW-AAEUAGOBSA-N 0 1 285.790 3.787 20 0 CHADMN C[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3F)CCC1(F)F ZINC001117625912 1131190511 /nfs/dbraw/zinc/19/05/11/1131190511.db2.gz GKDHKEFIEDRMLO-YGRLFVJLSA-N 0 1 269.310 3.790 20 0 CHADMN C[C@@H]1CCN1Cc1ccc(F)c(OCc2ccccc2)c1 ZINC001238340665 1131193256 /nfs/dbraw/zinc/19/32/56/1131193256.db2.gz WLAIEMRNJDZZBU-CQSZACIVSA-N 0 1 285.362 3.999 20 0 CHADMN CN(Cc1ccnc(Br)c1Cl)C(C)(C)C ZINC001238372214 1131193743 /nfs/dbraw/zinc/19/37/43/1131193743.db2.gz DSJGWVXVKSHOQI-UHFFFAOYSA-N 0 1 291.620 3.728 20 0 CHADMN CCOc1ccc(CN2CC[C@@H](OC(C)C)C2)c(Cl)c1 ZINC001238402866 1131196021 /nfs/dbraw/zinc/19/60/21/1131196021.db2.gz LNBHVTXSMRFCIE-OAHLLOKOSA-N 0 1 297.826 3.738 20 0 CHADMN Cc1cc(N[C@@H]2CC=C(C)CC2)ccc1N1CCN(C)CC1 ZINC001117760055 1131196886 /nfs/dbraw/zinc/19/68/86/1131196886.db2.gz KLZCALNHXJUEJP-QGZVFWFLSA-N 0 1 299.462 3.658 20 0 CHADMN Cc1cc(CN2CCC[C@@H](C)[C@@H]2C)ncc1Cl ZINC001238419648 1131197595 /nfs/dbraw/zinc/19/75/95/1131197595.db2.gz ZRZYVBVDBURUPS-PWSUYJOCSA-N 0 1 252.789 3.664 20 0 CHADMN CCCc1cnc(-c2c(F)ccc(O)c2Cl)nc1 ZINC001245826951 1131197921 /nfs/dbraw/zinc/19/79/21/1131197921.db2.gz ITDQKSWUDACIFF-UHFFFAOYSA-N 0 1 266.703 3.594 20 0 CHADMN Cc1cc(CN2CCC(C(C)C)CC2)ncc1Cl ZINC001238424504 1131198984 /nfs/dbraw/zinc/19/89/84/1131198984.db2.gz ZAYADVSFFWCEAN-UHFFFAOYSA-N 0 1 266.816 3.911 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1ncc(C)cc1C ZINC001238436800 1131201261 /nfs/dbraw/zinc/20/12/61/1131201261.db2.gz CKUPHRPIPQZLBY-OAHLLOKOSA-N 0 1 284.403 3.900 20 0 CHADMN COc1c(CN2CCC[C@H](C)[C@H]2C)ccc(F)c1F ZINC001238476988 1131205776 /nfs/dbraw/zinc/20/57/76/1131205776.db2.gz LHIDNWTZBHVGJI-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN Cc1ccc(OC(C)C)cc1CN1CCC[C@@H]1CF ZINC001238482933 1131206919 /nfs/dbraw/zinc/20/69/19/1131206919.db2.gz OWPRLHSFBMLRMT-OAHLLOKOSA-N 0 1 265.372 3.716 20 0 CHADMN CN(Cc1cccnc1)Cc1ccc(F)c(C2CC2)c1 ZINC001238497095 1131209127 /nfs/dbraw/zinc/20/91/27/1131209127.db2.gz CWMIEQFFGKRIMC-UHFFFAOYSA-N 0 1 270.351 3.730 20 0 CHADMN Cc1c(Cl)ccc(CN(C)CCc2cccnc2)c1F ZINC001238518714 1131212161 /nfs/dbraw/zinc/21/21/61/1131212161.db2.gz WSKGIGZRTFSRSN-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN CO[C@H]1CCN(Cc2ccc(Cl)c(C)c2F)[C@@H](C)C1 ZINC001238523141 1131213329 /nfs/dbraw/zinc/21/33/29/1131213329.db2.gz SFIQQYHNGUIGCY-GWCFXTLKSA-N 0 1 285.790 3.787 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccnn2CC(C)C)c(C)o1 ZINC001118237656 1131216074 /nfs/dbraw/zinc/21/60/74/1131216074.db2.gz GSJQTPCXVQHTMV-CYBMUJFWSA-N 0 1 275.396 3.600 20 0 CHADMN Cc1cc([C@H](C)NCc2ccnn2CC(C)C)c(C)o1 ZINC001118237657 1131216207 /nfs/dbraw/zinc/21/62/07/1131216207.db2.gz GSJQTPCXVQHTMV-ZDUSSCGKSA-N 0 1 275.396 3.600 20 0 CHADMN COc1ccccc1C1(NCc2cccn2C2CC2)CC1 ZINC001118267753 1131217894 /nfs/dbraw/zinc/21/78/94/1131217894.db2.gz NGLFSCXCJXMDAR-UHFFFAOYSA-N 0 1 282.387 3.611 20 0 CHADMN COc1cc(C)cc(F)c1CN1CCCC[C@@H]1C ZINC001238585219 1131218334 /nfs/dbraw/zinc/21/83/34/1131218334.db2.gz PUQTZWKOQGLMFE-LBPRGKRZSA-N 0 1 251.345 3.517 20 0 CHADMN COc1cc(C)cc(F)c1CN1CCC[C@H]2CCC[C@H]21 ZINC001238592317 1131219466 /nfs/dbraw/zinc/21/94/66/1131219466.db2.gz RZYNCNYVKDFACS-CZUORRHYSA-N 0 1 277.383 3.907 20 0 CHADMN COc1cc(C)cc(F)c1CN1CCC12CCCC2 ZINC001238587846 1131220140 /nfs/dbraw/zinc/22/01/40/1131220140.db2.gz GMABHCJQFJRCCT-UHFFFAOYSA-N 0 1 263.356 3.661 20 0 CHADMN CCN(Cc1ccncc1)Cc1cnc(C2CC2)c(C)c1 ZINC001238617501 1131223227 /nfs/dbraw/zinc/22/32/27/1131223227.db2.gz USMAUNGGMBOXJB-UHFFFAOYSA-N 0 1 281.403 3.685 20 0 CHADMN Cc1cc(CN2CCc3ccsc3C2)cnc1C1CC1 ZINC001238618805 1131223770 /nfs/dbraw/zinc/22/37/70/1131223770.db2.gz VFWHMKLSGGYCAL-UHFFFAOYSA-N 0 1 284.428 3.887 20 0 CHADMN Cc1nnc(SCc2cc3ccccc3nc2Cl)[nH]1 ZINC000011704518 1131229834 /nfs/dbraw/zinc/22/98/34/1131229834.db2.gz PYHGWKYKNJDJMW-UHFFFAOYSA-N 0 1 290.779 3.607 20 0 CHADMN Cc1ccc2oc(-c3noc([C@@H]4C[C@@H](C)CCN4)n3)cc2c1 ZINC000823135638 1131416500 /nfs/dbraw/zinc/41/65/00/1131416500.db2.gz UEQMVIXAZMTUQX-AAEUAGOBSA-N 0 1 297.358 3.852 20 0 CHADMN O[C@H](CNC1(c2ccccc2Cl)CC1)c1ccccc1 ZINC000829475037 1131420749 /nfs/dbraw/zinc/42/07/49/1131420749.db2.gz AKZZGSUVYOGXQW-MRXNPFEDSA-N 0 1 287.790 3.652 20 0 CHADMN Cc1cccc(C)c1CN1CC2(C1)CC(F)(F)CS2 ZINC001137852560 1131424492 /nfs/dbraw/zinc/42/44/92/1131424492.db2.gz GTGRUXYQKNKSHD-UHFFFAOYSA-N 0 1 283.387 3.630 20 0 CHADMN CN(Cc1cc(F)c(F)cc1F)C[C@@H]1CC1(C)C ZINC001137892487 1131429809 /nfs/dbraw/zinc/42/98/09/1131429809.db2.gz SRIMMQKFDLZJON-JTQLQIEISA-N 0 1 257.299 3.582 20 0 CHADMN CCCCCC[C@](C)(CC)C(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC001137894405 1131430764 /nfs/dbraw/zinc/43/07/64/1131430764.db2.gz SUZHSKPECAPCMN-JZXOWHBKSA-N 0 1 296.499 3.924 20 0 CHADMN Cn1nc(C2CC2)cc1CN[C@@H]1CCSc2ccccc21 ZINC000823579859 1131432561 /nfs/dbraw/zinc/43/25/61/1131432561.db2.gz WXRVJELRWXRFSX-OAHLLOKOSA-N 0 1 299.443 3.624 20 0 CHADMN CCCN(Cc1c(F)ccc(F)c1F)CC(C)C ZINC001137933414 1131438461 /nfs/dbraw/zinc/43/84/61/1131438461.db2.gz GDNPGKYCXHFLLD-UHFFFAOYSA-N 0 1 259.315 3.972 20 0 CHADMN Cc1ccoc1CN(C)C[C@@]1(C)CC1(Cl)Cl ZINC000830002166 1131441079 /nfs/dbraw/zinc/44/10/79/1131441079.db2.gz DFESMJAEABJVHB-LLVKDONJSA-N 0 1 262.180 3.604 20 0 CHADMN Cc1c2nc[nH]c2ccc1N[C@H]1CCc2ccc(O)cc2C1 ZINC001171031150 1131441986 /nfs/dbraw/zinc/44/19/86/1131441986.db2.gz AWYYSVOYUOSEJO-AWEZNQCLSA-N 0 1 293.370 3.546 20 0 CHADMN Clc1cccc2c1CC[C@@H](N1Cc3cccnc3C1)C2 ZINC001171032838 1131442298 /nfs/dbraw/zinc/44/22/98/1131442298.db2.gz HPWYGPPYQXVKCF-CQSZACIVSA-N 0 1 284.790 3.608 20 0 CHADMN Fc1c(Cl)cccc1CN1CC2CCC1CC2 ZINC001137962457 1131442544 /nfs/dbraw/zinc/44/25/44/1131442544.db2.gz KDIJBHYGWKQKOE-UHFFFAOYSA-N 0 1 253.748 3.854 20 0 CHADMN Cc1cccc([C@H](C)NCc2cc(F)ncc2F)c1C ZINC000823855117 1131444934 /nfs/dbraw/zinc/44/49/34/1131444934.db2.gz GYAUEXDDECQCKC-LBPRGKRZSA-N 0 1 276.330 3.827 20 0 CHADMN CC1(C)CCC[C@@H]1[C@H]1CCN(Cc2cnc(Cl)cn2)C1 ZINC000830178186 1131447471 /nfs/dbraw/zinc/44/74/71/1131447471.db2.gz WBHYYJSQQMVXFM-GXTWGEPZSA-N 0 1 293.842 3.778 20 0 CHADMN COc1ccc(F)c(CN2CCCc3ccccc3C2)c1 ZINC001137996465 1131447758 /nfs/dbraw/zinc/44/77/58/1131447758.db2.gz RINHJRVBPQGFIS-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN CCCC1CCN(Cc2cc(OC)ccc2F)CC1 ZINC001137994929 1131448127 /nfs/dbraw/zinc/44/81/27/1131448127.db2.gz JVWFQOVEAFMWRW-UHFFFAOYSA-N 0 1 265.372 3.846 20 0 CHADMN CCCc1csc(NC(=O)c2ccc(Cl)cc2O)n1 ZINC001137996143 1131448131 /nfs/dbraw/zinc/44/81/31/1131448131.db2.gz ZGJVTXRMXGAOIM-UHFFFAOYSA-N 0 1 296.779 3.707 20 0 CHADMN Cn1nc(C2CC2)cc1CN[C@H]1CCCc2cc(F)ccc21 ZINC000824032282 1131451001 /nfs/dbraw/zinc/45/10/01/1131451001.db2.gz OXVSZVRYVXAJNN-KRWDZBQOSA-N 0 1 299.393 3.604 20 0 CHADMN Cc1ccc(CN2CCCCC23COC3)c2ccccc12 ZINC001138017147 1131451454 /nfs/dbraw/zinc/45/14/54/1131451454.db2.gz ZJLFKDTYMSWTGG-UHFFFAOYSA-N 0 1 281.399 3.903 20 0 CHADMN Cc1ccc(Cl)c(CN2CC(C)(C)C[C@@]2(C)CO)c1F ZINC001138030732 1131455583 /nfs/dbraw/zinc/45/55/83/1131455583.db2.gz QIYSATMCVWIOBF-INIZCTEOSA-N 0 1 299.817 3.770 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC[C@](C)(O)[C@@H](C)C2)c1F ZINC001138030333 1131455597 /nfs/dbraw/zinc/45/55/97/1131455597.db2.gz BBXDWUZQAIDIIX-LRDDRELGSA-N 0 1 299.817 3.770 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(C)ccc3N)cc12 ZINC001160331578 1131456940 /nfs/dbraw/zinc/45/69/40/1131456940.db2.gz PPVVEFNMHIBTHU-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN CCCN(C(=O)c1ccc(CN2CCCCC2)o1)C(C)C ZINC000824264849 1131459594 /nfs/dbraw/zinc/45/95/94/1131459594.db2.gz SQGMADMKNGGGMD-UHFFFAOYSA-N 0 1 292.423 3.526 20 0 CHADMN Cc1cc2c(cn1)CN([C@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171051874 1131461619 /nfs/dbraw/zinc/46/16/19/1131461619.db2.gz XLLYFSZUOXKBDF-INIZCTEOSA-N 0 1 298.817 3.917 20 0 CHADMN Cn1nc(C2CC2)cc1CNCc1ccc(C2CCC2)cc1 ZINC000824286921 1131464020 /nfs/dbraw/zinc/46/40/20/1131464020.db2.gz LOENULSATXHTQF-UHFFFAOYSA-N 0 1 295.430 3.855 20 0 CHADMN Clc1cccc2[nH]c(CN3C4CCC3CC4)cc21 ZINC001136862440 1131464410 /nfs/dbraw/zinc/46/44/10/1131464410.db2.gz LOEAIBIQEXKENQ-UHFFFAOYSA-N 0 1 260.768 3.948 20 0 CHADMN CC(C)O[C@H]1CCN(Cc2cc3c(cccc3Cl)[nH]2)C1 ZINC001136863703 1131465537 /nfs/dbraw/zinc/46/55/37/1131465537.db2.gz NPCJNZCHOVYKPJ-ZDUSSCGKSA-N 0 1 292.810 3.821 20 0 CHADMN C[C@H]1CCN(C(=O)c2ccc(Cl)c(O)c2)CC1(C)C ZINC001138110973 1131467122 /nfs/dbraw/zinc/46/71/22/1131467122.db2.gz FHIRRZACWOGWPA-JTQLQIEISA-N 0 1 281.783 3.554 20 0 CHADMN CCCC[C@H](C)N(C)Cc1ccnc(Cl)c1F ZINC000824417151 1131469205 /nfs/dbraw/zinc/46/92/05/1131469205.db2.gz QJFJOFSIMLZMDB-JTQLQIEISA-N 0 1 258.768 3.885 20 0 CHADMN CC(C)c1cnc(CN2CCCC[C@H]2C2CCC2)o1 ZINC000830989142 1131474648 /nfs/dbraw/zinc/47/46/48/1131474648.db2.gz SIDNJJHOAAYXOD-AWEZNQCLSA-N 0 1 262.397 3.953 20 0 CHADMN CC[N@@H+](CCSC)Cc1cc(Cl)nc(Cl)c1 ZINC000830999322 1131476003 /nfs/dbraw/zinc/47/60/03/1131476003.db2.gz GUASMSAGOJPMLF-UHFFFAOYSA-N 0 1 279.236 3.573 20 0 CHADMN CCN(CCSC)Cc1cc(Cl)nc(Cl)c1 ZINC000830999322 1131476005 /nfs/dbraw/zinc/47/60/05/1131476005.db2.gz GUASMSAGOJPMLF-UHFFFAOYSA-N 0 1 279.236 3.573 20 0 CHADMN FC(F)[C@H]1CCCN(Cc2ccc(N3CCCCC3)o2)C1 ZINC001138177344 1131476013 /nfs/dbraw/zinc/47/60/13/1131476013.db2.gz QAAPLXGIRSLKRQ-ZDUSSCGKSA-N 0 1 298.377 3.747 20 0 CHADMN CCOCC1CCN(Cc2nc3ccccc3s2)CC1 ZINC001136956153 1131487042 /nfs/dbraw/zinc/48/70/42/1131487042.db2.gz HCJYNBTZZFIKGG-UHFFFAOYSA-N 0 1 290.432 3.545 20 0 CHADMN Cc1ccc2c(CN3CC[C@@H](C)[C@H](F)C3)c[nH]c2c1 ZINC001136969371 1131489612 /nfs/dbraw/zinc/48/96/12/1131489612.db2.gz NFCJFJOYFPYLRI-IUODEOHRSA-N 0 1 260.356 3.656 20 0 CHADMN Cc1cccn2c(CN3CCC[C@H]4CCCC[C@H]43)cnc12 ZINC001136964433 1131489833 /nfs/dbraw/zinc/48/98/33/1131489833.db2.gz QWKFQNQBARJKGV-NVXWUHKLSA-N 0 1 283.419 3.797 20 0 CHADMN Brc1ccoc1CN1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000824941043 1131490205 /nfs/dbraw/zinc/49/02/05/1131490205.db2.gz HVMLLGGFMPODEY-FZMZJTMJSA-N 0 1 296.208 3.663 20 0 CHADMN C[C@H]1CN(Cc2c[nH]c3cccc(F)c23)CCC1(F)F ZINC001136978944 1131494473 /nfs/dbraw/zinc/49/44/73/1131494473.db2.gz AGKWSCAXYCMUIQ-JTQLQIEISA-N 0 1 282.309 3.784 20 0 CHADMN Fc1cccc2[nH]cc(CN3CCCC[C@@H](F)C3)c21 ZINC001136978938 1131494674 /nfs/dbraw/zinc/49/46/74/1131494674.db2.gz AEIFOGOQODSATE-GFCCVEGCSA-N 0 1 264.319 3.631 20 0 CHADMN Cc1cccc(CCN(C)Cc2nc3ccccc3n2C)c1 ZINC001138379335 1131495787 /nfs/dbraw/zinc/49/57/87/1131495787.db2.gz SYOKSMXVFHXBFO-UHFFFAOYSA-N 0 1 293.414 3.556 20 0 CHADMN COc1cccc(F)c1CN1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001138386308 1131496824 /nfs/dbraw/zinc/49/68/24/1131496824.db2.gz KDWQEHOYPRFNBJ-OKILXGFUSA-N 0 1 297.373 3.921 20 0 CHADMN CCc1nc(CN[C@H](C)CCc2cccc(C)c2)co1 ZINC000825057404 1131497371 /nfs/dbraw/zinc/49/73/71/1131497371.db2.gz MUCRZGKVGOSLBX-CQSZACIVSA-N 0 1 272.392 3.656 20 0 CHADMN CCCCN(C)Cc1ncccc1NC(=O)OC(C)(C)C ZINC001138402186 1131499230 /nfs/dbraw/zinc/49/92/30/1131499230.db2.gz JFQWIKRTWWFVPY-UHFFFAOYSA-N 0 1 293.411 3.661 20 0 CHADMN Cc1c2ccccc2[nH]c1CN1CC(C)(C)OC(C)(C)C1 ZINC001138400629 1131499584 /nfs/dbraw/zinc/49/95/84/1131499584.db2.gz VPJDVFCKGDQQOU-UHFFFAOYSA-N 0 1 286.419 3.866 20 0 CHADMN Cc1cc(CNc2ccc3c(n2)CCC3)cnc1Cl ZINC000825124213 1131499811 /nfs/dbraw/zinc/49/98/11/1131499811.db2.gz KGWWUKISTDKSIA-UHFFFAOYSA-N 0 1 273.767 3.539 20 0 CHADMN Cc1ccc(NC(=O)Nc2cc(O)c(F)c(F)c2)cc1C ZINC001202826442 1131501992 /nfs/dbraw/zinc/50/19/92/1131501992.db2.gz CGHBUNHMDBJMIH-UHFFFAOYSA-N 0 1 292.285 3.931 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1ncc(C(F)(F)F)[nH]1 ZINC001137010298 1131504588 /nfs/dbraw/zinc/50/45/88/1131504588.db2.gz MRTYAPKVCHKVKG-JTQLQIEISA-N 0 1 295.308 3.548 20 0 CHADMN COc1c(C)cc(CN2CC(C)(C)OC(C)(C)C2)cc1C ZINC001138430073 1131504914 /nfs/dbraw/zinc/50/49/14/1131504914.db2.gz PRZOLSPNYNKJLK-UHFFFAOYSA-N 0 1 291.435 3.701 20 0 CHADMN CCOc1ccc(CN(CC)Cc2cccnc2)c(C)c1 ZINC001138434396 1131504986 /nfs/dbraw/zinc/50/49/86/1131504986.db2.gz RRSMFRKQZRJTPC-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN Cc1c2ccccc2sc1CN1CCCCC12COC2 ZINC001138460024 1131508203 /nfs/dbraw/zinc/50/82/03/1131508203.db2.gz BCYHNSJDVILJND-UHFFFAOYSA-N 0 1 287.428 3.965 20 0 CHADMN Cc1c2ccccc2sc1CN1C[C@H](C)O[C@@H](C)C1 ZINC001138458621 1131508769 /nfs/dbraw/zinc/50/87/69/1131508769.db2.gz GCKARMQMMLTHQF-RYUDHWBXSA-N 0 1 275.417 3.819 20 0 CHADMN Cc1c2ccccc2sc1CN1C[C@@H](C)OC[C@@H]1C ZINC001138463450 1131509555 /nfs/dbraw/zinc/50/95/55/1131509555.db2.gz JGCYJJRIPZJWJI-NWDGAFQWSA-N 0 1 275.417 3.819 20 0 CHADMN COc1ccc(Cl)cc1CN1CCC[C@@H](CF)C1 ZINC001138482012 1131511572 /nfs/dbraw/zinc/51/15/72/1131511572.db2.gz YKSVWGZUOTVETL-NSHDSACASA-N 0 1 271.763 3.530 20 0 CHADMN CC[C@@H]1CCCN1Cc1c(F)ccc(OC)c1Cl ZINC001143371138 1131518505 /nfs/dbraw/zinc/51/85/05/1131518505.db2.gz GZCFAWCMDFWNGS-SNVBAGLBSA-N 0 1 271.763 3.862 20 0 CHADMN Cc1ccc(C(F)(F)F)c(CN2CCC[C@H]3C[C@H]32)c1 ZINC001143683835 1131522105 /nfs/dbraw/zinc/52/21/05/1131522105.db2.gz PVEIPHRRPWVDIL-SMDDNHRTSA-N 0 1 269.310 3.998 20 0 CHADMN F[C@@H]1CCCCN(Cc2ccccc2N2CCCC2)C1 ZINC001138611001 1131527173 /nfs/dbraw/zinc/52/71/73/1131527173.db2.gz YOLVZGFZJSIWSD-MRXNPFEDSA-N 0 1 276.399 3.611 20 0 CHADMN CCCc1[nH]ccc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC001138645306 1131532286 /nfs/dbraw/zinc/53/22/86/1131532286.db2.gz XLQPAIFLHLMGEF-UHFFFAOYSA-N 0 1 296.729 3.718 20 0 CHADMN COc1ccc(CN(C)Cc2cc(F)cc(F)c2C)cc1 ZINC001143760711 1131532473 /nfs/dbraw/zinc/53/24/73/1131532473.db2.gz CKFSFQLIOXXNEI-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN Fc1cc(OC(F)(F)F)ccc1CN1C2CCC1CC2 ZINC001143791012 1131534387 /nfs/dbraw/zinc/53/43/87/1131534387.db2.gz BLIYBFKMRJEIKD-UHFFFAOYSA-N 0 1 289.272 3.851 20 0 CHADMN CSC1CCN(Cc2cc(F)ccc2Cl)CC1 ZINC001138674513 1131535112 /nfs/dbraw/zinc/53/51/12/1131535112.db2.gz TWHXSPVQBXAKQB-UHFFFAOYSA-N 0 1 273.804 3.807 20 0 CHADMN FC(F)(F)c1ccc(CN2C[C@@H]3C[C@@H]3C2)cc1Cl ZINC001143803790 1131535624 /nfs/dbraw/zinc/53/56/24/1131535624.db2.gz APZHWTUOTDGMAC-AOOOYVTPSA-N 0 1 275.701 3.811 20 0 CHADMN Fc1ccc(-c2ccc(CN3C[C@H]4CC[C@@H](C3)O4)cc2)cc1 ZINC001138682276 1131536058 /nfs/dbraw/zinc/53/60/58/1131536058.db2.gz NLMWYPCDFCMIJT-KDURUIRLSA-N 0 1 297.373 3.856 20 0 CHADMN CSc1ncc(CN2CCC[C@@H]2c2cccc(C)c2)cn1 ZINC001138702187 1131539512 /nfs/dbraw/zinc/53/95/12/1131539512.db2.gz XXQUNTCLXIZHQD-MRXNPFEDSA-N 0 1 299.443 3.844 20 0 CHADMN COc1cc(C)c(CN(C)Cc2ccncc2)c(C)c1C ZINC001138723063 1131541605 /nfs/dbraw/zinc/54/16/05/1131541605.db2.gz CRVIZXNOLBSYFX-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H](CF)C1 ZINC001138719664 1131541987 /nfs/dbraw/zinc/54/19/87/1131541987.db2.gz CMMQCLRZXVBMGA-LBPRGKRZSA-N 0 1 255.764 3.830 20 0 CHADMN COc1cc(Cl)cc(CN2CCC(C)CC2)c1OC ZINC001138744254 1131544647 /nfs/dbraw/zinc/54/46/47/1131544647.db2.gz OPQVZSIWVWALNN-UHFFFAOYSA-N 0 1 283.799 3.589 20 0 CHADMN COc1cc(Cl)cc(CN2CCC[C@@H](C)CC2)c1OC ZINC001138741829 1131544924 /nfs/dbraw/zinc/54/49/24/1131544924.db2.gz CHCZQTWFEMWVRZ-GFCCVEGCSA-N 0 1 297.826 3.979 20 0 CHADMN COc1cc(Cl)cc(CN2CCC23CCCC3)c1OC ZINC001138742736 1131545475 /nfs/dbraw/zinc/54/54/75/1131545475.db2.gz YRTYHBMPQLNLSE-UHFFFAOYSA-N 0 1 295.810 3.876 20 0 CHADMN CCCCc1ccc(CN2C[C@@H](C)[C@@H](F)C2)s1 ZINC001138753565 1131546282 /nfs/dbraw/zinc/54/62/82/1131546282.db2.gz WZFVHPHXZNHJFL-RISCZKNCSA-N 0 1 255.402 3.881 20 0 CHADMN CCCC1CCN(Cc2ccnn2[C@@H]2CCCCO2)CC1 ZINC001138780180 1131549126 /nfs/dbraw/zinc/54/91/26/1131549126.db2.gz QTUKDHSHDYZSDM-KRWDZBQOSA-N 0 1 291.439 3.594 20 0 CHADMN Fc1ncccc1CN1CCC[C@@H]1c1ccccc1 ZINC001138789363 1131549284 /nfs/dbraw/zinc/54/92/84/1131549284.db2.gz XOVPFXWDYDGMOJ-OAHLLOKOSA-N 0 1 256.324 3.558 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cccc3ccnn32)cc1 ZINC001138808399 1131551246 /nfs/dbraw/zinc/55/12/46/1131551246.db2.gz UQNNJUIKVOAFKA-AWEZNQCLSA-N 0 1 295.386 3.536 20 0 CHADMN C[C@H]1CCN(Cc2ccnc(Cl)c2)CCC1(F)F ZINC001138816571 1131552511 /nfs/dbraw/zinc/55/25/11/1131552511.db2.gz YTZYOXDOSSNXRO-JTQLQIEISA-N 0 1 274.742 3.602 20 0 CHADMN Oc1ccc2c(c1)CCN(Cc1ccc3occc3c1)C2 ZINC001138824029 1131552868 /nfs/dbraw/zinc/55/28/68/1131552868.db2.gz XEMWUYYHMDPBAI-UHFFFAOYSA-N 0 1 279.339 3.697 20 0 CHADMN Cc1cc(CN2CCC[C@@H](CCc3ccccc3)C2)nn1C ZINC001138831600 1131553570 /nfs/dbraw/zinc/55/35/70/1131553570.db2.gz NMMQAVJXRFMNIH-SFHVURJKSA-N 0 1 297.446 3.573 20 0 CHADMN CC[C@H]1CCCN(Cc2ccc(OC)c(F)c2F)C1 ZINC001143915042 1131554248 /nfs/dbraw/zinc/55/42/48/1131554248.db2.gz RFJLPKRVQZOQMV-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CCOc1ccc(F)c(CN2CC[C@H]3CCC[C@H]3C2)c1F ZINC001143931216 1131557592 /nfs/dbraw/zinc/55/75/92/1131557592.db2.gz RDCBPJRFQMPKSQ-OLZOCXBDSA-N 0 1 295.373 3.986 20 0 CHADMN CCCN(Cc1c(F)ccc(OC)c1F)[C@@H](C)CC ZINC001143970071 1131560714 /nfs/dbraw/zinc/56/07/14/1131560714.db2.gz GRSCMNQZZHPXGA-NSHDSACASA-N 0 1 271.351 3.984 20 0 CHADMN CN(Cc1cnc2[nH]ccc2c1Cl)CC(C)(C)C ZINC001138931867 1131561291 /nfs/dbraw/zinc/56/12/91/1131561291.db2.gz FQSZCXUJIATLTO-UHFFFAOYSA-N 0 1 265.788 3.646 20 0 CHADMN C[C@H](c1ccccc1Cl)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844456044 1131562460 /nfs/dbraw/zinc/56/24/60/1131562460.db2.gz XSBKQZHPYNZVOR-IEBDPFPHSA-N 0 1 257.711 3.598 20 0 CHADMN CC(C)Oc1ccc(Cl)cc1CN1CCCC1 ZINC001138958007 1131564376 /nfs/dbraw/zinc/56/43/76/1131564376.db2.gz QYGURFRGRBGSJL-UHFFFAOYSA-N 0 1 253.773 3.723 20 0 CHADMN COc1ccc(F)c(CN2CCC[C@@H]3CCC[C@H]32)c1F ZINC001143979290 1131564629 /nfs/dbraw/zinc/56/46/29/1131564629.db2.gz YEVAJWRHOSVQNP-SMDDNHRTSA-N 0 1 281.346 3.738 20 0 CHADMN CCOc1c(F)cc(CN2CC3CCC2CC3)cc1F ZINC001144031099 1131571046 /nfs/dbraw/zinc/57/10/46/1131571046.db2.gz ZXWFJEHIBSTABZ-UHFFFAOYSA-N 0 1 281.346 3.738 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CCC(C)(C)C1 ZINC001139009047 1131571254 /nfs/dbraw/zinc/57/12/54/1131571254.db2.gz BTXRFIFKSGCXFW-UHFFFAOYSA-N 0 1 267.800 3.971 20 0 CHADMN C[C@H](CC(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1)CC(C)(C)C ZINC001144024326 1131573558 /nfs/dbraw/zinc/57/35/58/1131573558.db2.gz JUQMLHWEJSKFKO-CABCVRRESA-N 0 1 296.499 3.638 20 0 CHADMN C[C@H](CC(=O)N1CCN(C)[C@H](C(C)(C)C)C1)CC(C)(C)C ZINC001144024326 1131573561 /nfs/dbraw/zinc/57/35/61/1131573561.db2.gz JUQMLHWEJSKFKO-CABCVRRESA-N 0 1 296.499 3.638 20 0 CHADMN Clc1cc2c(cc1Cl)C[C@@H](NCc1ncco1)CC2 ZINC001171132681 1131576824 /nfs/dbraw/zinc/57/68/24/1131576824.db2.gz FUJUCNILSNFMJP-NSHDSACASA-N 0 1 297.185 3.629 20 0 CHADMN COc1cc(O)ccc1CN(C)Cc1ccc(Cl)cc1 ZINC001139142832 1131585416 /nfs/dbraw/zinc/58/54/16/1131585416.db2.gz XEBCIKZTLHBCLF-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN CCn1ccc2c1cccc2CN1CC[C@](C)(F)[C@@H](F)C1 ZINC001139153369 1131587125 /nfs/dbraw/zinc/58/71/25/1131587125.db2.gz RBGVPOUESCLVNF-IRXDYDNUSA-N 0 1 292.373 3.933 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cccc3c1ccn3C)C2 ZINC001139160454 1131588683 /nfs/dbraw/zinc/58/86/83/1131588683.db2.gz ZUPINDXZYPCCTE-UHFFFAOYSA-N 0 1 292.382 3.703 20 0 CHADMN CCc1cc(CN(CC)Cc2ccccn2)cc(CC)c1O ZINC001144151014 1131591409 /nfs/dbraw/zinc/59/14/09/1131591409.db2.gz NPYYSNMSCJDUBP-UHFFFAOYSA-N 0 1 298.430 3.934 20 0 CHADMN Fc1ccc2n[nH]c(CN3CC[C@@H]3c3ccccc3)c2c1 ZINC001144202969 1131599121 /nfs/dbraw/zinc/59/91/21/1131599121.db2.gz ZKZCTEPIKQGNTO-QGZVFWFLSA-N 0 1 281.334 3.649 20 0 CHADMN Fc1ccc2n[nH]c(CN3CC[C@H]3c3ccccc3)c2c1 ZINC001144202968 1131599180 /nfs/dbraw/zinc/59/91/80/1131599180.db2.gz ZKZCTEPIKQGNTO-KRWDZBQOSA-N 0 1 281.334 3.649 20 0 CHADMN CSCCN(C)Cc1ccc(-c2ccccc2)nc1 ZINC001139521472 1131612352 /nfs/dbraw/zinc/61/23/52/1131612352.db2.gz FVBPZFYHZQLAQV-UHFFFAOYSA-N 0 1 272.417 3.543 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2ccc(-c3ccccc3)nc2)C1 ZINC001139521073 1131612631 /nfs/dbraw/zinc/61/26/31/1131612631.db2.gz XSMARPXBSHQRFS-YOEHRIQHSA-N 0 1 284.378 3.929 20 0 CHADMN c1ccc(-c2ccc(CN3CC4(CCC4)C3)cn2)cc1 ZINC001139520342 1131612636 /nfs/dbraw/zinc/61/26/36/1131612636.db2.gz HQNSVNGDXONADU-UHFFFAOYSA-N 0 1 264.372 3.735 20 0 CHADMN CC(C)(C)OC(=O)n1cc(CN2CC=CC2)c2ccccc21 ZINC001139523586 1131613465 /nfs/dbraw/zinc/61/34/65/1131613465.db2.gz CIEBFUSCCITXQV-UHFFFAOYSA-N 0 1 298.386 3.796 20 0 CHADMN C[N@@H+](Cc1ccccc1-c1ccccc1Cl)C1COC1 ZINC001139574168 1131617623 /nfs/dbraw/zinc/61/76/23/1131617623.db2.gz SHCCKBMWPOPCES-UHFFFAOYSA-N 0 1 287.790 3.838 20 0 CHADMN CN(Cc1ccccc1-c1ccccc1Cl)C1COC1 ZINC001139574168 1131617625 /nfs/dbraw/zinc/61/76/25/1131617625.db2.gz SHCCKBMWPOPCES-UHFFFAOYSA-N 0 1 287.790 3.838 20 0 CHADMN CCOc1ccc(CN2CC[C@@H](OC(C)C)C2)cc1Cl ZINC001139596962 1131619947 /nfs/dbraw/zinc/61/99/47/1131619947.db2.gz HCZYLZPHMHWWFN-CQSZACIVSA-N 0 1 297.826 3.738 20 0 CHADMN Cc1nc(CN2CC[C@@H](C)C(F)(F)CC2)sc1C ZINC001144359744 1131620702 /nfs/dbraw/zinc/62/07/02/1131620702.db2.gz NYJVNJMWQDNHHT-SECBINFHSA-N 0 1 274.380 3.627 20 0 CHADMN COc1ccncc1C[N@@H+](Cc1ccccc1)C1CCC1 ZINC001139609684 1131621692 /nfs/dbraw/zinc/62/16/92/1131621692.db2.gz OEJMJNYYCCLSQK-UHFFFAOYSA-N 0 1 282.387 3.645 20 0 CHADMN COc1ccncc1CN(Cc1ccccc1)C1CCC1 ZINC001139609684 1131621696 /nfs/dbraw/zinc/62/16/96/1131621696.db2.gz OEJMJNYYCCLSQK-UHFFFAOYSA-N 0 1 282.387 3.645 20 0 CHADMN CCOc1ccc(CN2C[C@H](F)C[C@H]2C)cc1CC ZINC001139619082 1131623792 /nfs/dbraw/zinc/62/37/92/1131623792.db2.gz VWQWBVWVNUZSAS-IUODEOHRSA-N 0 1 265.372 3.580 20 0 CHADMN C[C@H]1CCCN(Cc2ccnc(Cl)c2F)C[C@H]1C ZINC001139660962 1131627111 /nfs/dbraw/zinc/62/71/11/1131627111.db2.gz JNECSKWFPJZYMZ-WDEREUQCSA-N 0 1 270.779 3.742 20 0 CHADMN Cc1nc2cc(C)ccn2c1CN1CC2(C1)CCCCC2 ZINC001139679561 1131627838 /nfs/dbraw/zinc/62/78/38/1131627838.db2.gz HNTVHQFZUHYIEY-UHFFFAOYSA-N 0 1 283.419 3.717 20 0 CHADMN Cc1nc2cc(C)ccn2c1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001139676820 1131628001 /nfs/dbraw/zinc/62/80/01/1131628001.db2.gz ITFVKQLJLQBVDQ-SJORKVTESA-N 0 1 297.446 3.963 20 0 CHADMN Cc1nc2cc(C)ccn2c1C[N@H+]1CC[C@H]1c1ccccc1 ZINC001139676858 1131628103 /nfs/dbraw/zinc/62/81/03/1131628103.db2.gz IXLLRBQXXIKOMJ-KRWDZBQOSA-N 0 1 291.398 3.898 20 0 CHADMN Cc1nc2cc(C)ccn2c1CN1CC[C@H]1c1ccccc1 ZINC001139676858 1131628105 /nfs/dbraw/zinc/62/81/05/1131628105.db2.gz IXLLRBQXXIKOMJ-KRWDZBQOSA-N 0 1 291.398 3.898 20 0 CHADMN Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@@H]1c1nccs1 ZINC001139714513 1131631222 /nfs/dbraw/zinc/63/12/22/1131631222.db2.gz DCRHQLAHOIEPFX-OAHLLOKOSA-N 0 1 288.416 3.803 20 0 CHADMN Cc1cc(O)cc(C)c1CN1CCC[C@@H]1c1nccs1 ZINC001139714513 1131631226 /nfs/dbraw/zinc/63/12/26/1131631226.db2.gz DCRHQLAHOIEPFX-OAHLLOKOSA-N 0 1 288.416 3.803 20 0 CHADMN CCCCC[C@@](C)(CC)C(=O)NCCN1CC=C(C)CC1 ZINC001139721456 1131631972 /nfs/dbraw/zinc/63/19/72/1131631972.db2.gz FVTJKBKFPCOSBF-GOSISDBHSA-N 0 1 294.483 3.751 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)NCCN1CC=C(C)CC1 ZINC001139721457 1131632669 /nfs/dbraw/zinc/63/26/69/1131632669.db2.gz FVTJKBKFPCOSBF-SFHVURJKSA-N 0 1 294.483 3.751 20 0 CHADMN Cc1cnc(CN2CCCC3(CC(F)C3)CC2)s1 ZINC001139814161 1131638804 /nfs/dbraw/zinc/63/88/04/1131638804.db2.gz YXPPFLCSOLBTPI-UHFFFAOYSA-N 0 1 268.401 3.556 20 0 CHADMN COCc1ccc(CN2CCC(C(F)(F)F)CC2)s1 ZINC001139825989 1131639672 /nfs/dbraw/zinc/63/96/72/1131639672.db2.gz PQNDPWUVSOSQHL-UHFFFAOYSA-N 0 1 293.354 3.669 20 0 CHADMN COC1CN(Cc2cccc3c4ccccc4sc32)C1 ZINC001139843521 1131641368 /nfs/dbraw/zinc/64/13/68/1131641368.db2.gz YWPVBDMAHBXCPH-UHFFFAOYSA-N 0 1 283.396 3.885 20 0 CHADMN c1ccc2c(c1)oc1c2cccc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC001139854786 1131641523 /nfs/dbraw/zinc/64/15/23/1131641523.db2.gz GNESWGNLIKGTSW-GASCZTMLSA-N 0 1 293.366 3.949 20 0 CHADMN COc1cc(Cl)cc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001144478368 1131641766 /nfs/dbraw/zinc/64/17/66/1131641766.db2.gz FYRVTCAETGIQPD-UHFFFAOYSA-N 0 1 275.779 3.981 20 0 CHADMN Cn1c(CN2CCOC3(CCCCC3)C2)cc2ccccc21 ZINC001139872396 1131643582 /nfs/dbraw/zinc/64/35/82/1131643582.db2.gz NESLWBPNLQTKOL-UHFFFAOYSA-N 0 1 298.430 3.713 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1cnc(OC)c(F)c1 ZINC001144473228 1131643595 /nfs/dbraw/zinc/64/35/95/1131643595.db2.gz RONGGWNURJGMFW-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1CN1CCC[C@]2(CCO2)C1 ZINC001139887683 1131646247 /nfs/dbraw/zinc/64/62/47/1131646247.db2.gz YBFADPONDIXDMZ-HNNXBMFYSA-N 0 1 299.336 3.769 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(F)c3ccccc23)n(C)n1 ZINC001139891414 1131648042 /nfs/dbraw/zinc/64/80/42/1131648042.db2.gz YIBKTKIRHODPDG-UHFFFAOYSA-N 0 1 297.377 3.653 20 0 CHADMN CC(C)[C@@H]1COCCN1Cc1ccc(F)c2ccccc12 ZINC001139892727 1131648475 /nfs/dbraw/zinc/64/84/75/1131648475.db2.gz UXNLZHZVTWDICF-SFHVURJKSA-N 0 1 287.378 3.836 20 0 CHADMN Cc1ccc(CN2CCCC[C@H]2c2cccnc2)cn1 ZINC001139931993 1131650826 /nfs/dbraw/zinc/65/08/26/1131650826.db2.gz ZUWKSTCCFBBKIV-KRWDZBQOSA-N 0 1 267.376 3.512 20 0 CHADMN CCc1ccccc1CN[C@@H]1CCOc2c(OC)cccc21 ZINC001202987206 1131652356 /nfs/dbraw/zinc/65/23/56/1131652356.db2.gz VTHJYRHADNFAKG-QGZVFWFLSA-N 0 1 297.398 3.871 20 0 CHADMN C[C@H]1CCN(Cc2cccnc2C(F)(F)F)[C@@H](C)C1 ZINC001144530981 1131652620 /nfs/dbraw/zinc/65/26/20/1131652620.db2.gz DDYMUCJTMPYUDQ-QWRGUYRKSA-N 0 1 272.314 3.721 20 0 CHADMN Clc1ccc(C2CCN(Cc3ccnnc3)CC2)cc1 ZINC001139981807 1131653639 /nfs/dbraw/zinc/65/36/39/1131653639.db2.gz UEEQAEBJXSSMGB-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN Clc1ncc(CN2CC[C@@H](C3CCCCC3)C2)cn1 ZINC001139991387 1131655144 /nfs/dbraw/zinc/65/51/44/1131655144.db2.gz IMSLYLUUYXVSAN-CQSZACIVSA-N 0 1 279.815 3.532 20 0 CHADMN Cc1cccc(NCCC[C@@H]2CC2(Cl)Cl)n1 ZINC000845745780 1131655432 /nfs/dbraw/zinc/65/54/32/1131655432.db2.gz VSBCILJLGVFAPB-SNVBAGLBSA-N 0 1 259.180 3.776 20 0 CHADMN CSc1nccc(CN2CCC3(CCCCC3)CC2)n1 ZINC001140032808 1131658728 /nfs/dbraw/zinc/65/87/28/1131658728.db2.gz INIAFQKDPXNHFF-UHFFFAOYSA-N 0 1 291.464 3.745 20 0 CHADMN CSc1nccc(CN2CCC[C@H]2c2cccc(C)c2)n1 ZINC001140033141 1131658806 /nfs/dbraw/zinc/65/88/06/1131658806.db2.gz SFNXZQBNSDCPFC-INIZCTEOSA-N 0 1 299.443 3.844 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC001140048551 1131658846 /nfs/dbraw/zinc/65/88/46/1131658846.db2.gz JWGCXVKIBWVKHW-OAHLLOKOSA-N 0 1 285.362 3.596 20 0 CHADMN Oc1ccc(F)c(CN2CCC3(CC[C@@H](F)C3)CC2)c1 ZINC001140051625 1131658918 /nfs/dbraw/zinc/65/89/18/1131658918.db2.gz PJODQVXSQPTTAE-CYBMUJFWSA-N 0 1 281.346 3.636 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001140052000 1131659176 /nfs/dbraw/zinc/65/91/76/1131659176.db2.gz AGXFMFKDSFQVOL-BETUJISGSA-N 0 1 283.346 3.618 20 0 CHADMN COc1c(Cl)cccc1C[N@H+]1CCCC[C@@H]1C ZINC001140056451 1131660213 /nfs/dbraw/zinc/66/02/13/1131660213.db2.gz XKEXFTYEPXRYCA-NSHDSACASA-N 0 1 253.773 3.723 20 0 CHADMN COc1c(Cl)cccc1CN1CCCC[C@@H]1C ZINC001140056451 1131660214 /nfs/dbraw/zinc/66/02/14/1131660214.db2.gz XKEXFTYEPXRYCA-NSHDSACASA-N 0 1 253.773 3.723 20 0 CHADMN COc1ccc2n[nH]c(CN3CC[C@H]3c3ccccc3)c2c1 ZINC001140068986 1131661555 /nfs/dbraw/zinc/66/15/55/1131661555.db2.gz FGJRFEKQQPFJFS-SFHVURJKSA-N 0 1 293.370 3.519 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2cccc3c2CCC3)no1 ZINC000845903932 1131669225 /nfs/dbraw/zinc/66/92/25/1131669225.db2.gz JFMCUCXENBVQAB-SFHVURJKSA-N 0 1 282.387 3.809 20 0 CHADMN CC[C@@H](NC(=O)C=CC1CCCCCC1)c1ncc[nH]1 ZINC000845953134 1131669753 /nfs/dbraw/zinc/66/97/53/1131669753.db2.gz VGZRXNWJGISOGO-ATWMFIQVSA-N 0 1 275.396 3.504 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1ccc(-c2ccncc2)cc1 ZINC001140171871 1131671353 /nfs/dbraw/zinc/67/13/53/1131671353.db2.gz ZKNRDFZLRNGTDO-LJQANCHMSA-N 0 1 294.398 3.692 20 0 CHADMN CC(C)[C@H]1CN(Cc2ccc(-c3ccncc3)cc2)CCO1 ZINC001140174234 1131672506 /nfs/dbraw/zinc/67/25/06/1131672506.db2.gz KHJINYGORGFEJH-LJQANCHMSA-N 0 1 296.414 3.605 20 0 CHADMN Cc1cc(CN2CCc3cc(F)ccc3C2)c(C)cc1O ZINC001140202634 1131676319 /nfs/dbraw/zinc/67/63/19/1131676319.db2.gz ULVPCIYUTRKNTO-UHFFFAOYSA-N 0 1 285.362 3.706 20 0 CHADMN CC(C)O[C@@H]1CCCN(Cc2cnc(C(C)C)s2)C1 ZINC000846014726 1131678080 /nfs/dbraw/zinc/67/80/80/1131678080.db2.gz JIJXTBJLVYOPII-CYBMUJFWSA-N 0 1 282.453 3.656 20 0 CHADMN Oc1cccc2[nH]cc(CN3CCC[C@H]3c3ccccn3)c21 ZINC001140233165 1131679807 /nfs/dbraw/zinc/67/98/07/1131679807.db2.gz HXBWDQOWZHAXSE-INIZCTEOSA-N 0 1 293.370 3.606 20 0 CHADMN C[N@@H+](Cc1sccc1C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001144678355 1131680964 /nfs/dbraw/zinc/68/09/64/1131680964.db2.gz XBXIVLCPRQVLAR-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN C[C@@H]1CC(C)(C)CN1Cc1ccn(CCc2ccccc2)n1 ZINC001171208170 1131681501 /nfs/dbraw/zinc/68/15/01/1131681501.db2.gz MIOQWCXKAQGEJT-MRXNPFEDSA-N 0 1 297.446 3.746 20 0 CHADMN C[C@@H]1CC(C)(C)CN1Cc1noc2c1CC(C)(C)CC2 ZINC001171208706 1131684305 /nfs/dbraw/zinc/68/43/05/1131684305.db2.gz TTWDFSHPOQZGOL-GFCCVEGCSA-N 0 1 276.424 3.810 20 0 CHADMN CCn1cc(CN(Cc2cc(C)oc2C)C(C)C)cn1 ZINC000846054377 1131685466 /nfs/dbraw/zinc/68/54/66/1131685466.db2.gz AHUNDIYHSSQGDD-UHFFFAOYSA-N 0 1 275.396 3.523 20 0 CHADMN CCOc1ccc2[nH]cc(CN(C)Cc3cccnc3)c2c1 ZINC001140267059 1131685735 /nfs/dbraw/zinc/68/57/35/1131685735.db2.gz XDTFUUGESVVYAY-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN CC(C)(C)c1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)s1 ZINC000846109094 1131687274 /nfs/dbraw/zinc/68/72/74/1131687274.db2.gz CAOLDFKWIQZEQP-PHIMTYICSA-N 0 1 271.376 3.743 20 0 CHADMN COc1cc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc2ccccc21 ZINC000846112036 1131687367 /nfs/dbraw/zinc/68/73/67/1131687367.db2.gz BEQMHVLDEXLGJJ-GASCZTMLSA-N 0 1 289.325 3.545 20 0 CHADMN F[C@@H]1CCCN(Cc2ccccc2-c2cccnc2)C1 ZINC001140317208 1131695611 /nfs/dbraw/zinc/69/56/11/1131695611.db2.gz IFFYCGCPMOUUIN-MRXNPFEDSA-N 0 1 270.351 3.683 20 0 CHADMN F[C@H]1CCCN(Cc2ccccc2-c2cccnc2)C1 ZINC001140317207 1131695644 /nfs/dbraw/zinc/69/56/44/1131695644.db2.gz IFFYCGCPMOUUIN-INIZCTEOSA-N 0 1 270.351 3.683 20 0 CHADMN C[C@@H]1CN(Cc2ccc3scnc3c2)CCC1(F)F ZINC001144732690 1131697082 /nfs/dbraw/zinc/69/70/82/1131697082.db2.gz JDOSREDWAZSSRI-SNVBAGLBSA-N 0 1 282.359 3.773 20 0 CHADMN CCN(Cc1cccnc1)Cc1ccc2scnc2c1 ZINC001144738866 1131698653 /nfs/dbraw/zinc/69/86/53/1131698653.db2.gz JMNXSYBEMVCUOY-UHFFFAOYSA-N 0 1 283.400 3.713 20 0 CHADMN Cc1ccc2n[nH]c(CN3CC[C@H]3c3ccccc3)c2c1 ZINC001140330083 1131698940 /nfs/dbraw/zinc/69/89/40/1131698940.db2.gz LGFHHWAXCXFIPH-SFHVURJKSA-N 0 1 277.371 3.818 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCC[C@@H]3c3nccs3)c2c1 ZINC001140330171 1131699086 /nfs/dbraw/zinc/69/90/86/1131699086.db2.gz OTAAYNCZKRQSFW-OAHLLOKOSA-N 0 1 298.415 3.665 20 0 CHADMN CCCN(CCC)Cc1c(F)ccc(F)c1OC ZINC001144745063 1131699718 /nfs/dbraw/zinc/69/97/18/1131699718.db2.gz NTFZYQFJPNGGBO-UHFFFAOYSA-N 0 1 257.324 3.595 20 0 CHADMN CC(C)[C@H]1CCC[C@@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001144745546 1131701068 /nfs/dbraw/zinc/70/10/68/1131701068.db2.gz FKONISKZWJZYDR-QWHCGFSZSA-N 0 1 285.391 3.508 20 0 CHADMN C/C(=C\C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000846235418 1131701891 /nfs/dbraw/zinc/70/18/91/1131701891.db2.gz FJHJUTHZQDXDFP-MLFXKNMZSA-N 0 1 285.387 3.559 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(-c3ccccn3)cc2)C[C@H]1F ZINC001140376425 1131707623 /nfs/dbraw/zinc/70/76/23/1131707623.db2.gz BBEIWMQARNAICM-RHSMWYFYSA-N 0 1 284.378 3.929 20 0 CHADMN C[C@@H]1CC[C@H](N[C@@H]2CCn3ccnc32)c2sccc21 ZINC000834830835 1131708500 /nfs/dbraw/zinc/70/85/00/1131708500.db2.gz GYLJTMYKOQQDOS-KGYLQXTDSA-N 0 1 273.405 3.618 20 0 CHADMN Cc1cc(C)c([C@H](C)N[C@@H]2CCn3ccnc32)cc1C ZINC000834837004 1131709550 /nfs/dbraw/zinc/70/95/50/1131709550.db2.gz QVMWIGLVSQJXKO-GOEBONIOSA-N 0 1 269.392 3.604 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1ccc(-c3ccccn3)cc1)C2 ZINC001140381427 1131710435 /nfs/dbraw/zinc/71/04/35/1131710435.db2.gz ZKYRFLDKHHGOAA-HKUYNNGSSA-N 0 1 294.398 3.502 20 0 CHADMN Fc1ccccc1-c1ncc(C[N@@H+](CC2CC2)C2CC2)cn1 ZINC001140403843 1131714477 /nfs/dbraw/zinc/71/44/77/1131714477.db2.gz OFPZVTQJEHDKHE-UHFFFAOYSA-N 0 1 297.377 3.657 20 0 CHADMN CC(C)n1ccn(CN2CCCCCCC2)c1=S ZINC000834886124 1131718906 /nfs/dbraw/zinc/71/89/06/1131718906.db2.gz IHPLPGXUHUEQIX-UHFFFAOYSA-N 0 1 267.442 3.824 20 0 CHADMN Clc1ccc2ncc(CN3CC[C@@H]4CCC[C@@H]4C3)n2c1 ZINC001140429673 1131732785 /nfs/dbraw/zinc/73/27/85/1131732785.db2.gz PJONQNAWHARBLQ-QWHCGFSZSA-N 0 1 289.810 3.610 20 0 CHADMN Clc1ccc2ncc(CN3CC[C@@H]4CCC[C@H]4C3)n2c1 ZINC001140429674 1131732873 /nfs/dbraw/zinc/73/28/73/1131732873.db2.gz PJONQNAWHARBLQ-STQMWFEESA-N 0 1 289.810 3.610 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cnc3ccc(Cl)cn23)C[C@H]1C ZINC001140429227 1131733041 /nfs/dbraw/zinc/73/30/41/1131733041.db2.gz KXIFQGIQBUNOAA-CHWSQXEVSA-N 0 1 291.826 3.856 20 0 CHADMN CC[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cnsn1 ZINC000846788657 1131735350 /nfs/dbraw/zinc/73/53/50/1131735350.db2.gz FYLCGTPSTRYBSA-HOTGVXAUSA-N 0 1 287.432 3.696 20 0 CHADMN COc1ccc(OC2CN(C(C)(C)C)C2)c2ccccc12 ZINC001227758987 1131737335 /nfs/dbraw/zinc/73/73/35/1131737335.db2.gz RPPQVBKHKPCMSY-UHFFFAOYSA-N 0 1 285.387 3.710 20 0 CHADMN CN(Cc1cc2ccccc2o1)CC1(Br)CC1 ZINC000846812619 1131744461 /nfs/dbraw/zinc/74/44/61/1131744461.db2.gz VRRUOGSGIBXHEO-UHFFFAOYSA-N 0 1 294.192 3.792 20 0 CHADMN COc1ccc2ccc(OC3CN(C(C)(C)C)C3)cc2c1 ZINC001227854957 1131752675 /nfs/dbraw/zinc/75/26/75/1131752675.db2.gz FWFSULMZNDEFLA-UHFFFAOYSA-N 0 1 285.387 3.710 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN[C@@H]1CCS[C@H]1C ZINC001203040090 1131756598 /nfs/dbraw/zinc/75/65/98/1131756598.db2.gz YSMLJECXKOIPNS-WDEREUQCSA-N 0 1 294.445 3.695 20 0 CHADMN COc1cc(F)cc(CN(C)Cc2cccc(F)c2)c1 ZINC001140478373 1131758400 /nfs/dbraw/zinc/75/84/00/1131758400.db2.gz PTEOSZMWUQUZRQ-UHFFFAOYSA-N 0 1 277.314 3.605 20 0 CHADMN C[C@]1(CN2CCC=C(c3ccccn3)C2)CC1(Cl)Cl ZINC000846921538 1131759479 /nfs/dbraw/zinc/75/94/79/1131759479.db2.gz AQBWTBGIYRIOTD-CQSZACIVSA-N 0 1 297.229 3.755 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cc(F)cc(OC)c1 ZINC001140484930 1131760677 /nfs/dbraw/zinc/76/06/77/1131760677.db2.gz ZDZCNSHUWYBYMA-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccccc2C(=O)[O-])Cc2ccccc21 ZINC001140498453 1131768665 /nfs/dbraw/zinc/76/86/65/1131768665.db2.gz OFPDZPPSMOVZOQ-CYBMUJFWSA-N 0 1 281.355 3.504 20 0 CHADMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1C(=O)[O-] ZINC001140503371 1131770622 /nfs/dbraw/zinc/77/06/22/1131770622.db2.gz XWPQRBCLGNVBBL-SFHVURJKSA-N 0 1 295.382 3.894 20 0 CHADMN FC1CC2(C1)CCN(Cc1ccnn1-c1ccccc1)CC2 ZINC001140526504 1131778847 /nfs/dbraw/zinc/77/88/47/1131778847.db2.gz UDRTXDXWMRFCNE-UHFFFAOYSA-N 0 1 299.393 3.586 20 0 CHADMN CCCCC[C@@H](NC(=O)[C@H]1CCN1C(C)(C)C)C(C)(C)C ZINC001146539048 1131790117 /nfs/dbraw/zinc/79/01/17/1131790117.db2.gz NXVUDYKOYNSLED-HUUCEWRRSA-N 0 1 296.499 3.970 20 0 CHADMN CCCCC[C@@H](NC(=O)CN1CCC(C)CC1)C(C)(C)C ZINC001146540489 1131791265 /nfs/dbraw/zinc/79/12/65/1131791265.db2.gz XEHUNSWYBATCPP-MRXNPFEDSA-N 0 1 296.499 3.830 20 0 CHADMN Cc1cc2cc[nH]c2c(N[C@H]2COCc3ccccc32)n1 ZINC001171289172 1131802494 /nfs/dbraw/zinc/80/24/94/1131802494.db2.gz BDIUPUKQQSFLKR-HNNXBMFYSA-N 0 1 279.343 3.555 20 0 CHADMN F[C@H]1CSC2(CN(Cc3csc4ccccc34)C2)C1 ZINC001140639143 1131838479 /nfs/dbraw/zinc/83/84/79/1131838479.db2.gz LYFUFBLNZVUGLB-GFCCVEGCSA-N 0 1 293.432 3.931 20 0 CHADMN Cc1ccc(Br)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001140649363 1131845430 /nfs/dbraw/zinc/84/54/30/1131845430.db2.gz MXGDQNLRJZEBQR-FPMFFAJLSA-N 0 1 298.199 3.690 20 0 CHADMN Cc1ccc(Br)cc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001140649363 1131845439 /nfs/dbraw/zinc/84/54/39/1131845439.db2.gz MXGDQNLRJZEBQR-FPMFFAJLSA-N 0 1 298.199 3.690 20 0 CHADMN CCc1ccccc1C(=O)Nc1cc2n[nH]c(C)c2c(F)c1 ZINC001148411887 1131855646 /nfs/dbraw/zinc/85/56/46/1131855646.db2.gz UXIADVUUPVCMFD-UHFFFAOYSA-N 0 1 297.333 3.825 20 0 CHADMN Cc1nc2ccc(O[C@H](C)c3ccncc3F)cc2[nH]1 ZINC001228329757 1131857985 /nfs/dbraw/zinc/85/79/85/1131857985.db2.gz QBGRGDNPOZWKKW-SECBINFHSA-N 0 1 271.295 3.545 20 0 CHADMN Cc1nc2ccc(O[C@@H](C)COCc3ccccc3)cc2[nH]1 ZINC001228327132 1131858610 /nfs/dbraw/zinc/85/86/10/1131858610.db2.gz OEMMXIWXCKLKAB-ZDUSSCGKSA-N 0 1 296.370 3.855 20 0 CHADMN CC(=O)[C@@H](Oc1ccc2nc(C)[nH]c2c1)c1ccccc1 ZINC001228329601 1131859941 /nfs/dbraw/zinc/85/99/41/1131859941.db2.gz OVJGQBYVPLFFON-QGZVFWFLSA-N 0 1 280.327 3.580 20 0 CHADMN CC(C)N(CCC(=O)c1ccc(F)cc1)Cc1ccco1 ZINC000348112959 1131882585 /nfs/dbraw/zinc/88/25/85/1131882585.db2.gz DHFBCKLCDTWUQK-UHFFFAOYSA-N 0 1 289.350 3.902 20 0 CHADMN CN(C)Cc1c(O[C@@H]2CCCCC2=O)ccc2ccccc21 ZINC001228441543 1131884595 /nfs/dbraw/zinc/88/45/95/1131884595.db2.gz MBFRSCDBTJKZCB-LJQANCHMSA-N 0 1 297.398 3.792 20 0 CHADMN COc1cccc(Cl)c1CN(C)CC1CC(F)(F)C1 ZINC001140728545 1131898986 /nfs/dbraw/zinc/89/89/86/1131898986.db2.gz DBZUVCDWGWOCPJ-UHFFFAOYSA-N 0 1 289.753 3.826 20 0 CHADMN COc1ccc(CN(C)C2CC(C)C2)c(Br)c1 ZINC001140758711 1131908064 /nfs/dbraw/zinc/90/80/64/1131908064.db2.gz ONPOUEJGBUQPTK-UHFFFAOYSA-N 0 1 298.224 3.688 20 0 CHADMN C[C@H](NCc1nc2cc(F)ccc2n1C)c1cccs1 ZINC000773002430 1131915493 /nfs/dbraw/zinc/91/54/93/1131915493.db2.gz RWFRGUXGPBVGDO-JTQLQIEISA-N 0 1 289.379 3.625 20 0 CHADMN CC[C@@H](C)[N@@H+](C)Cc1cc(Cl)c([O-])c(Cl)c1 ZINC001140833755 1131942609 /nfs/dbraw/zinc/94/26/09/1131942609.db2.gz CWYHCAJBYAFJCC-MRVPVSSYSA-N 0 1 262.180 3.929 20 0 CHADMN CCC[C@H](Oc1ccc2[nH]nnc2c1)c1ccc(OC)cc1 ZINC001228662271 1131929747 /nfs/dbraw/zinc/92/97/47/1131929747.db2.gz DZYOOZLAKAPLGE-KRWDZBQOSA-N 0 1 297.358 3.887 20 0 CHADMN Cc1cc(Br)ccc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001140818638 1131934561 /nfs/dbraw/zinc/93/45/61/1131934561.db2.gz QVAIWERRMGSZNI-UBHSHLNASA-N 0 1 298.199 3.690 20 0 CHADMN COc1cc(F)c(CN2CCC[C@H]3CCC[C@@H]32)c(F)c1 ZINC001140827667 1131939093 /nfs/dbraw/zinc/93/90/93/1131939093.db2.gz HJNGVGPJXILUFN-BZNIZROVSA-N 0 1 281.346 3.738 20 0 CHADMN CCCC[N@@H+](C)Cc1cc(Cl)c([O-])c(Cl)c1 ZINC001140829431 1131939293 /nfs/dbraw/zinc/93/92/93/1131939293.db2.gz JCXVYVYWXLPOGT-UHFFFAOYSA-N 0 1 262.180 3.931 20 0 CHADMN CCC[N@@H+](CCOC)Cc1cc(Cl)c([O-])c(Cl)c1 ZINC001140829054 1131939619 /nfs/dbraw/zinc/93/96/19/1131939619.db2.gz DNVKUKSGTORPDL-UHFFFAOYSA-N 0 1 292.206 3.557 20 0 CHADMN C[C@H](NCc1cccc(F)n1)c1cc2c(s1)CCC2 ZINC000773085214 1131940787 /nfs/dbraw/zinc/94/07/87/1131940787.db2.gz HAFSDQLQAXBRKY-JTQLQIEISA-N 0 1 276.380 3.622 20 0 CHADMN C[C@@H]1CCN(Cc2cccc3c2OC(F)(F)O3)[C@H](C)C1 ZINC001171382051 1131945190 /nfs/dbraw/zinc/94/51/90/1131945190.db2.gz RSCOTRTXFLWWFG-GHMZBOCLSA-N 0 1 283.318 3.629 20 0 CHADMN COc1cc(F)c([C@H](C)N[C@H](C)c2ccc[nH]2)cc1OC ZINC000773124257 1131949951 /nfs/dbraw/zinc/94/99/51/1131949951.db2.gz WVWDFONWZPVPQE-WDEREUQCSA-N 0 1 292.354 3.583 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc[nH]1)c1cnn(-c2ccccc2)c1 ZINC000773119338 1131950106 /nfs/dbraw/zinc/95/01/06/1131950106.db2.gz OEMPWLWWRAQGBF-KBPBESRZSA-N 0 1 280.375 3.612 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnn(-c2ccccc2)c1)c1ccc[nH]1 ZINC000773119346 1131950570 /nfs/dbraw/zinc/95/05/70/1131950570.db2.gz OEMPWLWWRAQGBF-UONOGXRCSA-N 0 1 280.375 3.612 20 0 CHADMN Cc1cc(CN2CCCC[C@@H]2c2ccccc2F)n[nH]1 ZINC001203075393 1131959130 /nfs/dbraw/zinc/95/91/30/1131959130.db2.gz HKWNJQJMCPZTJI-MRXNPFEDSA-N 0 1 273.355 3.584 20 0 CHADMN CC(=O)[C@@H](N[C@H]1CCc2c(F)cccc2C1)c1ccccc1 ZINC001171402730 1131968585 /nfs/dbraw/zinc/96/85/85/1131968585.db2.gz VEBWYOKZRPRXOU-QFBILLFUSA-N 0 1 297.373 3.603 20 0 CHADMN Cc1cc(OC(F)(F)F)ccc1CN1C[C@@H](F)C[C@H]1C ZINC001140960434 1131974405 /nfs/dbraw/zinc/97/44/05/1131974405.db2.gz ADDACIUKLCOTCX-PWSUYJOCSA-N 0 1 291.288 3.826 20 0 CHADMN CCC[N@@H+](Cc1cc(F)c([O-])c(F)c1)[C@H](C)CC ZINC001140989616 1131980367 /nfs/dbraw/zinc/98/03/67/1131980367.db2.gz RKCFLVLPSZDPQZ-SNVBAGLBSA-N 0 1 257.324 3.681 20 0 CHADMN CC[N@@H+](Cc1c[nH]nc1C(F)(F)F)Cc1ccc(C)cc1 ZINC001141018509 1131986101 /nfs/dbraw/zinc/98/61/01/1131986101.db2.gz ZGRDGSJHWNPRSF-UHFFFAOYSA-N 0 1 297.324 3.759 20 0 CHADMN CCN(Cc1c[nH]nc1C(F)(F)F)Cc1ccc(C)cc1 ZINC001141018509 1131986109 /nfs/dbraw/zinc/98/61/09/1131986109.db2.gz ZGRDGSJHWNPRSF-UHFFFAOYSA-N 0 1 297.324 3.759 20 0 CHADMN C[C@@H]1C[C@H](Oc2nnc3c[nH]ccc2-3)CC(C)(C)C1 ZINC001228989831 1131993736 /nfs/dbraw/zinc/99/37/36/1131993736.db2.gz KRCKFTPKJUVEEW-MNOVXSKESA-N 0 1 259.353 3.552 20 0 CHADMN Fc1ccccc1[C@@H]1CCCN1Cc1ccn2ccnc2c1 ZINC001141044619 1131993636 /nfs/dbraw/zinc/99/36/36/1131993636.db2.gz PXDAMCFUUVJAQY-KRWDZBQOSA-N 0 1 295.361 3.811 20 0 CHADMN CCCCC(=O)[C@@H](CCCC)Oc1nnc2c[nH]ccc1-2 ZINC001228990261 1131994191 /nfs/dbraw/zinc/99/41/91/1131994191.db2.gz OHIBWVXHXVSFLP-OAHLLOKOSA-N 0 1 289.379 3.655 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccns1)c1ccc(OC)cc1 ZINC000715920033 1131996774 /nfs/dbraw/zinc/99/67/74/1131996774.db2.gz LGOPFFCCWVZYFV-BXUZGUMPSA-N 0 1 276.405 3.954 20 0 CHADMN COc1ccc2nc(Cl)c(CN3CCCCC3)cc2c1 ZINC001141060678 1132000677 /nfs/dbraw/zinc/00/06/77/1132000677.db2.gz BBDBHXFLVFSREL-UHFFFAOYSA-N 0 1 290.794 3.883 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2N[C@H](C)c1ccns1 ZINC000716021811 1132001816 /nfs/dbraw/zinc/00/18/16/1132001816.db2.gz QMRWKNGWMCTVMS-IAQYHMDHSA-N 0 1 288.416 3.880 20 0 CHADMN CCCCc1ncc(CN(C)Cc2ccc(F)cc2F)[nH]1 ZINC001141071453 1132003747 /nfs/dbraw/zinc/00/37/47/1132003747.db2.gz POTGVZBBQYYXNM-UHFFFAOYSA-N 0 1 293.361 3.663 20 0 CHADMN CCCCc1ncc(CN(C)Cc2cccc(F)c2)[nH]1 ZINC001141068189 1132004288 /nfs/dbraw/zinc/00/42/88/1132004288.db2.gz ZYAWCXINUFZKGU-UHFFFAOYSA-N 0 1 275.371 3.523 20 0 CHADMN CCCCc1nc(CN(C)[C@@H]2CCc3ccccc32)c[nH]1 ZINC001141074188 1132004995 /nfs/dbraw/zinc/00/49/95/1132004995.db2.gz ACYFPIDIRCGXHH-QGZVFWFLSA-N 0 1 283.419 3.872 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccns2)c2ccccc2n1 ZINC000715990261 1132006671 /nfs/dbraw/zinc/00/66/71/1132006671.db2.gz IZXLTPITCPJRSR-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2ccns2)cs1 ZINC000715989545 1132007247 /nfs/dbraw/zinc/00/72/47/1132007247.db2.gz GEQDXBULKIKCAY-VHSXEESVSA-N 0 1 252.408 3.925 20 0 CHADMN COc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H]1C ZINC001141078831 1132007858 /nfs/dbraw/zinc/00/78/58/1132007858.db2.gz KWFJOPOSYLHSSV-OAHLLOKOSA-N 0 1 297.398 3.868 20 0 CHADMN COc1cc(OCc2ccccc2)ccc1CN1CC[C@H]1C ZINC001141078831 1132007865 /nfs/dbraw/zinc/00/78/65/1132007865.db2.gz KWFJOPOSYLHSSV-OAHLLOKOSA-N 0 1 297.398 3.868 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCCCCCCC2)c1 ZINC000836925879 1132012372 /nfs/dbraw/zinc/01/23/72/1132012372.db2.gz UXQKVLJPXSMSBD-UHFFFAOYSA-N 0 1 285.391 3.668 20 0 CHADMN Cc1cccc(CN2CC3CC(C3)C2)c1Br ZINC001141093107 1132012460 /nfs/dbraw/zinc/01/24/60/1132012460.db2.gz PUYYGKYLEUAVED-UHFFFAOYSA-N 0 1 280.209 3.599 20 0 CHADMN C[C@@H](NCc1ccccc1F)c1ccc2c(c1)CCO2 ZINC000037212009 1132022586 /nfs/dbraw/zinc/02/25/86/1132022586.db2.gz XAHIDBGXQYJUOO-GFCCVEGCSA-N 0 1 271.335 3.611 20 0 CHADMN CCN1CCC[C@@H](Oc2cc3ccccc3nc2Cl)C1 ZINC001229129367 1132024930 /nfs/dbraw/zinc/02/49/30/1132024930.db2.gz NQCMBPDSVMSCBW-CYBMUJFWSA-N 0 1 290.794 3.751 20 0 CHADMN CCC(CC)N(CC)Cc1ncc(Cl)nc1Cl ZINC001141138758 1132027034 /nfs/dbraw/zinc/02/70/34/1132027034.db2.gz WOJATKKTJDQIRJ-UHFFFAOYSA-N 0 1 276.211 3.794 20 0 CHADMN COc1ccc2nccc(CN3CCCC[C@H](F)C3)c2c1 ZINC001141146902 1132027389 /nfs/dbraw/zinc/02/73/89/1132027389.db2.gz LETSRJFIWJTMGX-AWEZNQCLSA-N 0 1 288.366 3.567 20 0 CHADMN COc1ccc(C(F)(F)F)cc1CN1CCC(C)(C)C1 ZINC001141202885 1132041928 /nfs/dbraw/zinc/04/19/28/1132041928.db2.gz VURKRMSQYNYUTA-UHFFFAOYSA-N 0 1 287.325 3.946 20 0 CHADMN C[C@]1(F)CCCN([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171476651 1132042273 /nfs/dbraw/zinc/04/22/73/1132042273.db2.gz NEUGDDGBSIQFNP-BBRMVZONSA-N 0 1 283.337 3.646 20 0 CHADMN CCCC1CCN(Cc2cccc(OC)c2F)CC1 ZINC001141221134 1132044916 /nfs/dbraw/zinc/04/49/16/1132044916.db2.gz AKOKQATYNUQDJO-UHFFFAOYSA-N 0 1 265.372 3.846 20 0 CHADMN Cc1cc(Cl)ccc1CN(C)C1CC(F)(F)C1 ZINC001141229734 1132052298 /nfs/dbraw/zinc/05/22/98/1132052298.db2.gz JXXYIAWXUOSMBA-UHFFFAOYSA-N 0 1 259.727 3.878 20 0 CHADMN C/C(=C/C(C)(C)C)C(=O)Nc1ccc(F)c(F)c1O ZINC000837266700 1132060691 /nfs/dbraw/zinc/06/06/91/1132060691.db2.gz YBSJBNIOQNIESV-FPLPWBNLSA-N 0 1 269.291 3.601 20 0 CHADMN Cc1ccc(CC[C@H](C)N2CCOCC23CCC3)cc1 ZINC001171678064 1132076193 /nfs/dbraw/zinc/07/61/93/1132076193.db2.gz BGMOLKMTGOFBQP-INIZCTEOSA-N 0 1 273.420 3.571 20 0 CHADMN Cc1cc([S-])ccc1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001229633879 1132097531 /nfs/dbraw/zinc/09/75/31/1132097531.db2.gz BFIRASJMVKVNAJ-CYBMUJFWSA-N 0 1 265.422 3.535 20 0 CHADMN COc1ccc2nc(O[C@@H](C(C)C)C(F)(F)F)[nH]c2c1 ZINC001229729247 1132111481 /nfs/dbraw/zinc/11/14/81/1132111481.db2.gz IUADBEAAAYERER-NSHDSACASA-N 0 1 288.269 3.537 20 0 CHADMN COc1ccc2nc(O[C@@H](C)c3ccccc3OC)[nH]c2c1 ZINC001229731636 1132112743 /nfs/dbraw/zinc/11/27/43/1132112743.db2.gz WZXHAGDBZJEXFJ-NSHDSACASA-N 0 1 298.342 3.720 20 0 CHADMN COc1ccc(CN2CC[C@H](C)C[C@@H]2C)c(OC)c1Cl ZINC001248799448 1132116127 /nfs/dbraw/zinc/11/61/27/1132116127.db2.gz DLFAPEQTTSPSIL-RYUDHWBXSA-N 0 1 297.826 3.978 20 0 CHADMN C[C@H](Cc1ccc(C(F)(F)F)cc1)N1CCCC(=O)CC1 ZINC001171969482 1132117253 /nfs/dbraw/zinc/11/72/53/1132117253.db2.gz VYRKWJZHZQHSCI-GFCCVEGCSA-N 0 1 299.336 3.691 20 0 CHADMN CC1(C)C[C@H](N[C@H]2C=CC[CH]2)CC[N@H+]1Cc1ccccc1 ZINC001171977685 1132120229 /nfs/dbraw/zinc/12/02/29/1132120229.db2.gz GFZJILGSHXMNMD-ZWKOTPCHSA-N 0 1 283.439 3.552 20 0 CHADMN CC1(C)C[C@H]([NH2+][C@H]2C=CC[CH]2)CCN1Cc1ccccc1 ZINC001171977685 1132120239 /nfs/dbraw/zinc/12/02/39/1132120239.db2.gz GFZJILGSHXMNMD-ZWKOTPCHSA-N 0 1 283.439 3.552 20 0 CHADMN Cc1nc(C(F)(F)F)ccc1CN1C[C@@H](C)C[C@H]1CF ZINC001141423587 1132121246 /nfs/dbraw/zinc/12/12/46/1132121246.db2.gz DIXSBNOXATZRFI-CABZTGNLSA-N 0 1 290.304 3.589 20 0 CHADMN CC(=O)[C@H](N[C@H]1CSc2ccccc2C1)c1ccccc1 ZINC001172184610 1132136415 /nfs/dbraw/zinc/13/64/15/1132136415.db2.gz OCPRAUSZINFCID-AEFFLSMTSA-N 0 1 297.423 3.623 20 0 CHADMN CCOc1ccc(CN(C)C[C@H]2CC2(Cl)Cl)cc1 ZINC000838481100 1132138499 /nfs/dbraw/zinc/13/84/99/1132138499.db2.gz WUQUYSZMWIGLAH-GFCCVEGCSA-N 0 1 288.218 3.711 20 0 CHADMN CCN(Cc1ccccc1)Cc1ccc(C(F)(F)F)nn1 ZINC001141486266 1132141912 /nfs/dbraw/zinc/14/19/12/1132141912.db2.gz IZMKFUQCLBCDGT-UHFFFAOYSA-N 0 1 295.308 3.518 20 0 CHADMN CCCC1CCN(Cc2ccc(C(F)(F)F)nn2)CC1 ZINC001141495915 1132142392 /nfs/dbraw/zinc/14/23/92/1132142392.db2.gz IRMXMJUEYWUFPH-UHFFFAOYSA-N 0 1 287.329 3.508 20 0 CHADMN O=c1[nH]cnc(O[C@H]2CCc3ccc(Cl)cc32)c1Cl ZINC001230018133 1132145593 /nfs/dbraw/zinc/14/55/93/1132145593.db2.gz NWQZXFPNNOXYIH-JTQLQIEISA-N 0 1 297.141 3.555 20 0 CHADMN CC[C@H](C)OCC[C@H](C)NCc1c(F)ccc(F)c1F ZINC001172321364 1132159848 /nfs/dbraw/zinc/15/98/48/1132159848.db2.gz JSQWZTSTMGOVDU-QWRGUYRKSA-N 0 1 289.341 3.787 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@@H](C)COc1ccccc1 ZINC001230222150 1132162099 /nfs/dbraw/zinc/16/20/99/1132162099.db2.gz DFFQXBZWOOVWPW-ZDUSSCGKSA-N 0 1 282.343 3.718 20 0 CHADMN C[C@@H](N[C@@H]1COC(C)(C)C1)c1cccc(F)c1Cl ZINC001172279271 1132162118 /nfs/dbraw/zinc/16/21/18/1132162118.db2.gz GTWXLGVXJZXCEN-ZJUUUORDSA-N 0 1 271.763 3.697 20 0 CHADMN Cc1cc(F)c(CNC[C@@H]2CCC=CO2)c(Cl)c1 ZINC000839032104 1132168819 /nfs/dbraw/zinc/16/88/19/1132168819.db2.gz YQJRRYNAPDIUQH-NSHDSACASA-N 0 1 269.747 3.570 20 0 CHADMN Clc1ccccc1CC1CN(C[C@@H]2CCC=CO2)C1 ZINC000839103376 1132181589 /nfs/dbraw/zinc/18/15/89/1132181589.db2.gz NEVZNQFGDOIVQP-HNNXBMFYSA-N 0 1 277.795 3.507 20 0 CHADMN CC[C@H](C)OCC[C@H](C)N(C)Cc1cccc(F)c1F ZINC001172348203 1132181663 /nfs/dbraw/zinc/18/16/63/1132181663.db2.gz PBGAVOFPTADANM-STQMWFEESA-N 0 1 285.378 3.990 20 0 CHADMN Clc1ccccc1CC1CN(C[C@H]2CCC=CO2)C1 ZINC000839103377 1132181929 /nfs/dbraw/zinc/18/19/29/1132181929.db2.gz NEVZNQFGDOIVQP-OAHLLOKOSA-N 0 1 277.795 3.507 20 0 CHADMN c1ncc(CN2CC3(CCCC3)[C@H]2c2ccccc2)[nH]1 ZINC000839125630 1132182664 /nfs/dbraw/zinc/18/26/64/1132182664.db2.gz DMXOQVCBIAJOHV-MRXNPFEDSA-N 0 1 267.376 3.527 20 0 CHADMN FC1CC2(C1)CN(Cc1ccccc1N1CCCCC1)C2 ZINC000839140335 1132184726 /nfs/dbraw/zinc/18/47/26/1132184726.db2.gz PFOMQJHFWJJVQV-UHFFFAOYSA-N 0 1 288.410 3.611 20 0 CHADMN C[C@@H]1CCN(Cc2c[nH]c3cc(Cl)ccc23)CCC1=O ZINC001141579933 1132188110 /nfs/dbraw/zinc/18/81/10/1132188110.db2.gz QYDPQRSUVNPHTH-LLVKDONJSA-N 0 1 290.794 3.622 20 0 CHADMN F[C@@H]1CN(Cc2c[nH]c3cc(Cl)ccc23)C[C@@H]2C[C@@H]21 ZINC001141579330 1132188258 /nfs/dbraw/zinc/18/82/58/1132188258.db2.gz GCWLUVIETZTPED-QCZZGDTMSA-N 0 1 278.758 3.611 20 0 CHADMN Cc1nc2cc(Nc3cc(Cl)ncc3F)ccc2[nH]1 ZINC001213071439 1132198328 /nfs/dbraw/zinc/19/83/28/1132198328.db2.gz SETQAFHHUPDTQY-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1nc2ccc(Nc3cc(Cl)ncc3F)cc2[nH]1 ZINC001213071439 1132198330 /nfs/dbraw/zinc/19/83/30/1132198330.db2.gz SETQAFHHUPDTQY-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN CC[C@H](CC(C)C)N1CCCC[C@H]1c1noc(C)n1 ZINC001172406463 1132198708 /nfs/dbraw/zinc/19/87/08/1132198708.db2.gz IEZPKAURKXWEMY-KGLIPLIRSA-N 0 1 265.401 3.730 20 0 CHADMN CCCCCC[C@@H](CCC)N1CCn2nccc2C1 ZINC001172382845 1132208682 /nfs/dbraw/zinc/20/86/82/1132208682.db2.gz HQWVWPIYASEKMM-OAHLLOKOSA-N 0 1 263.429 3.838 20 0 CHADMN Fc1cc2ncccc2cc1CN1CC2(C1)CCCC2 ZINC001141623884 1132213906 /nfs/dbraw/zinc/21/39/06/1132213906.db2.gz WKVMZKYRSPCXOP-UHFFFAOYSA-N 0 1 270.351 3.750 20 0 CHADMN C[N@@H+](CCC1CC1)Cc1cc2cccnc2cc1F ZINC001141634812 1132218754 /nfs/dbraw/zinc/21/87/54/1132218754.db2.gz RYDJVXDDGVIVCO-UHFFFAOYSA-N 0 1 258.340 3.606 20 0 CHADMN Fc1ccc2nc(CN3CCc4ccccc4C3)ccc2c1 ZINC001141637368 1132219422 /nfs/dbraw/zinc/21/94/22/1132219422.db2.gz ZVKCNINYXDZMBX-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN Cc1ccc2c(c1)nc(=O)[nH]c2OC1CCC(F)(F)CC1 ZINC001230887872 1132223863 /nfs/dbraw/zinc/22/38/63/1132223863.db2.gz GDRYSBATOUYIFL-UHFFFAOYSA-N 0 1 294.301 3.601 20 0 CHADMN Fc1ccc2nc(C[N@H+]3CC[C@]4(CC4(F)F)C3)ccc2c1 ZINC001141649146 1132223973 /nfs/dbraw/zinc/22/39/73/1132223973.db2.gz QEVOGJWERYBULM-HNNXBMFYSA-N 0 1 292.304 3.605 20 0 CHADMN CCN(Cc1ncc(C(C)C)o1)C1CC(C)(C)C1 ZINC000839663240 1132229091 /nfs/dbraw/zinc/22/90/91/1132229091.db2.gz CWHTZYFBXOJEAN-UHFFFAOYSA-N 0 1 250.386 3.809 20 0 CHADMN COc1ccccc1[C@@H](C)Oc1cc2[nH]ncc2c(F)c1 ZINC001230931435 1132230162 /nfs/dbraw/zinc/23/01/62/1132230162.db2.gz NVURUAPZBILIPJ-SNVBAGLBSA-N 0 1 286.306 3.851 20 0 CHADMN CCCC(=O)[C@H](CCC)Oc1cc2[nH]ncc2c(F)c1 ZINC001230930432 1132230268 /nfs/dbraw/zinc/23/02/68/1132230268.db2.gz DILJZYPXRBLGNV-HNNXBMFYSA-N 0 1 278.327 3.619 20 0 CHADMN C[C@@H](Oc1cc2[nH]ncc2c(F)c1)c1cccc(F)c1 ZINC001230931397 1132230559 /nfs/dbraw/zinc/23/05/59/1132230559.db2.gz NISSGUJPHNFCCM-SECBINFHSA-N 0 1 274.270 3.981 20 0 CHADMN C[C@@H](Cc1ccccc1)Oc1cc2[nH]ncc2c(F)c1 ZINC001230931123 1132230882 /nfs/dbraw/zinc/23/08/82/1132230882.db2.gz LBFDZCSMBGNVKQ-NSHDSACASA-N 0 1 270.307 3.712 20 0 CHADMN Fc1cc(O[C@H](c2cccnc2)C2CC2)cc2[nH]ncc21 ZINC001230930827 1132231285 /nfs/dbraw/zinc/23/12/85/1132231285.db2.gz IKKJLMBOWZJTGS-INIZCTEOSA-N 0 1 283.306 3.627 20 0 CHADMN CCC[C@@H](C)Oc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC001231044146 1132246578 /nfs/dbraw/zinc/24/65/78/1132246578.db2.gz GGHCWBRFSZMQPO-ZCFIWIBFSA-N 0 1 274.151 3.832 20 0 CHADMN CC(C)=CCC[C@H](C)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047302 1132247857 /nfs/dbraw/zinc/24/78/57/1132247857.db2.gz OPAZHNDXZMEOLQ-VIFPVBQESA-N 0 1 280.759 3.520 20 0 CHADMN CCOC(=O)CN(CC)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172549387 1132261592 /nfs/dbraw/zinc/26/15/92/1132261592.db2.gz OSBWBMRWJVUKFR-IAGOWNOFSA-N 0 1 289.419 3.598 20 0 CHADMN c1cc2n(c1)CCN([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172561352 1132268755 /nfs/dbraw/zinc/26/87/55/1132268755.db2.gz QCOJVNUXJYVMQG-SJORKVTESA-N 0 1 266.388 3.640 20 0 CHADMN O=C(c1ccccc1O)c1ccccc1O[C@H]1C=CCC1 ZINC001231210446 1132270974 /nfs/dbraw/zinc/27/09/74/1132270974.db2.gz PUKXSRYOXFMCPX-ZDUSSCGKSA-N 0 1 280.323 3.721 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc3c2OCO3)cc1C ZINC001141960413 1132274588 /nfs/dbraw/zinc/27/45/88/1132274588.db2.gz NHFDIJAAUZMVPV-UHFFFAOYSA-N 0 1 283.371 3.664 20 0 CHADMN CCC1(c2ccccc2)CN(C[C@@H](O)c2ccccc2F)C1 ZINC000840770070 1132285012 /nfs/dbraw/zinc/28/50/12/1132285012.db2.gz JXLFEWWRKWPHBO-GOSISDBHSA-N 0 1 299.389 3.523 20 0 CHADMN Cc1ccc(CN2CCC3(C[C@H](F)CO3)CC2)cc1Cl ZINC001231424147 1132291384 /nfs/dbraw/zinc/29/13/84/1132291384.db2.gz QGEUXXSSPNPNPL-AWEZNQCLSA-N 0 1 297.801 3.741 20 0 CHADMN Cc1ccc(CN2CC[C@H](OC(C)C)C2)cc1Cl ZINC001231423549 1132291865 /nfs/dbraw/zinc/29/18/65/1132291865.db2.gz DMTXVTRHJZWJID-AWEZNQCLSA-N 0 1 267.800 3.648 20 0 CHADMN Cc1n[nH]cc1-c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC001212677975 1132292620 /nfs/dbraw/zinc/29/26/20/1132292620.db2.gz ZJCWRECELKMYOL-UHFFFAOYSA-N 0 1 282.347 3.733 20 0 CHADMN CN(C)c1ccc2cc(CN3CC(C(F)F)C3)ccc2c1 ZINC001231445039 1132295667 /nfs/dbraw/zinc/29/56/67/1132295667.db2.gz RKBGCOAJHXMMDC-UHFFFAOYSA-N 0 1 290.357 3.603 20 0 CHADMN CCC(CC)[N@@H+](CC)Cc1cc(C(=O)[O-])ccc1F ZINC001231459916 1132295906 /nfs/dbraw/zinc/29/59/06/1132295906.db2.gz IEXJUXHDKQXANO-UHFFFAOYSA-N 0 1 267.344 3.534 20 0 CHADMN CCCCCC[C@@H](C)NCc1nccc(C(F)(F)F)n1 ZINC000840867456 1132298071 /nfs/dbraw/zinc/29/80/71/1132298071.db2.gz OWBWZSIUVUZZIR-LLVKDONJSA-N 0 1 289.345 3.944 20 0 CHADMN C[C@@H](N[C@@H](C)c1c(F)cccc1F)[C@@H]1CC1(F)F ZINC000840883332 1132302041 /nfs/dbraw/zinc/30/20/41/1132302041.db2.gz VDUODEGNUBZBHS-VGMNWLOBSA-N 0 1 261.262 3.659 20 0 CHADMN Cc1ccc(OC(F)F)c(CNc2nccn2C2CC2)c1 ZINC000840886708 1132303263 /nfs/dbraw/zinc/30/32/63/1132303263.db2.gz NKZOTMQAHIZVHM-UHFFFAOYSA-N 0 1 293.317 3.740 20 0 CHADMN COc1ccc2cc(CNc3nccn3C3CC3)ccc2c1 ZINC000840891735 1132303709 /nfs/dbraw/zinc/30/37/09/1132303709.db2.gz YRJTYQKSPIJGOO-UHFFFAOYSA-N 0 1 293.370 3.992 20 0 CHADMN FC(F)(F)c1cscc1CNc1nccn1C1CC1 ZINC000840887291 1132304476 /nfs/dbraw/zinc/30/44/76/1132304476.db2.gz VYOXEHYJEDZQMC-UHFFFAOYSA-N 0 1 287.310 3.910 20 0 CHADMN Cc1ncc(CN(C)Cc2c(C)c(C)c(C)c(C)c2C)cn1 ZINC001231494353 1132305783 /nfs/dbraw/zinc/30/57/83/1132305783.db2.gz MLZVOJCFBFCIMT-UHFFFAOYSA-N 0 1 297.446 3.959 20 0 CHADMN CCCN(Cc1ccc(C)cc1)Cc1ccc(C)nn1 ZINC000840909315 1132307794 /nfs/dbraw/zinc/30/77/94/1132307794.db2.gz GYNRUBWLNGKQMN-UHFFFAOYSA-N 0 1 269.392 3.506 20 0 CHADMN CCc1ccc(CN2CCOC3(CCCCC3)C2)s1 ZINC001231502344 1132309129 /nfs/dbraw/zinc/30/91/29/1132309129.db2.gz AEEPKLFCTNXPDY-UHFFFAOYSA-N 0 1 279.449 3.846 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3ccccc3)c2)[C@@H](C)CO1 ZINC001231511736 1132309492 /nfs/dbraw/zinc/30/94/92/1132309492.db2.gz VRWHUVDYJRWIKC-JKSUJKDBSA-N 0 1 281.399 3.963 20 0 CHADMN CN(Cc1cccc(-c2ccccc2)c1)C1(C)COC1 ZINC001231511105 1132310871 /nfs/dbraw/zinc/31/08/71/1132310871.db2.gz HUNLQTPMMLXHDW-UHFFFAOYSA-N 0 1 267.372 3.574 20 0 CHADMN CC(C)Oc1ccc(CN2CC[C@@H](C)C(F)(F)CC2)cn1 ZINC001231532009 1132312255 /nfs/dbraw/zinc/31/22/55/1132312255.db2.gz MBHDIODZEBWNNN-CYBMUJFWSA-N 0 1 298.377 3.736 20 0 CHADMN Oc1ccc(CN2CCC[C@H](F)CC2)cc1C(F)(F)F ZINC001231521369 1132312637 /nfs/dbraw/zinc/31/26/37/1132312637.db2.gz DZEUEPOBFWVDCP-NSHDSACASA-N 0 1 291.288 3.735 20 0 CHADMN CC(C)Oc1ccc(CN2CCc3ccccc3[C@H]2C)cn1 ZINC001231532097 1132313453 /nfs/dbraw/zinc/31/34/53/1132313453.db2.gz PJTHVMITUZGQTO-OAHLLOKOSA-N 0 1 296.414 3.988 20 0 CHADMN Cc1cc(CNCc2cnccc2C(C)(C)C)c(C)o1 ZINC000840958011 1132313704 /nfs/dbraw/zinc/31/37/04/1132313704.db2.gz GYPLJPUNBVYWKN-UHFFFAOYSA-N 0 1 272.392 3.879 20 0 CHADMN CC(C)Oc1ccc(CN2CC3(C2)CCCCC3)cn1 ZINC001231538499 1132316093 /nfs/dbraw/zinc/31/60/93/1132316093.db2.gz MFYWNWRDDLCGEX-UHFFFAOYSA-N 0 1 274.408 3.635 20 0 CHADMN CCC[C@H]1CCCCN1Cc1cc(Br)c[nH]1 ZINC001231576449 1132318140 /nfs/dbraw/zinc/31/81/40/1132318140.db2.gz ISCVUUDANBDUFG-ZDUSSCGKSA-N 0 1 285.229 3.932 20 0 CHADMN Brc1c[nH]c(CN2C3CCCC2CCC3)c1 ZINC001231580554 1132319581 /nfs/dbraw/zinc/31/95/81/1132319581.db2.gz SGYTUWHKTNPVIF-UHFFFAOYSA-N 0 1 283.213 3.684 20 0 CHADMN C[C@H](Cc1ccc(F)cc1Cl)N1CC2(C1)CCCOC2 ZINC001172864740 1132330068 /nfs/dbraw/zinc/33/00/68/1132330068.db2.gz VKOBWPSRKOUITC-GFCCVEGCSA-N 0 1 297.801 3.523 20 0 CHADMN CC[C@@H]1CC[N@@H+](Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001142122145 1132330320 /nfs/dbraw/zinc/33/03/20/1132330320.db2.gz MHCDEVUARVUAOH-SECBINFHSA-N 0 1 274.191 3.931 20 0 CHADMN c1oc(-c2ccccc2)nc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001231630011 1132330897 /nfs/dbraw/zinc/33/08/97/1132330897.db2.gz IJJWUJOTVWFEGR-ZBFHGGJFSA-N 0 1 282.387 3.964 20 0 CHADMN CCc1ccc(CN2CCC3(CC(F)(F)C3)CC2)nc1 ZINC001231637969 1132332168 /nfs/dbraw/zinc/33/21/68/1132332168.db2.gz GBHZUWFQXWOTHJ-UHFFFAOYSA-N 0 1 280.362 3.655 20 0 CHADMN Cc1cccc2cc(CN3CCCC3)c(Cl)nc12 ZINC001231647554 1132334940 /nfs/dbraw/zinc/33/49/40/1132334940.db2.gz LUXYMFDMWQIDQN-UHFFFAOYSA-N 0 1 260.768 3.792 20 0 CHADMN Cc1ccc2c(c1)C[C@@H](N[C@@H]1CCCC1(F)F)CC2 ZINC001172844669 1132335930 /nfs/dbraw/zinc/33/59/30/1132335930.db2.gz YAKCSZIOTOAXQD-LSDHHAIUSA-N 0 1 265.347 3.630 20 0 CHADMN Cc1nc(CN[C@@H](C)Cc2ccc(F)cc2Cl)c(C)o1 ZINC001172853985 1132340749 /nfs/dbraw/zinc/34/07/49/1132340749.db2.gz FKFCHDVILFGEKD-VIFPVBQESA-N 0 1 296.773 3.805 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)N1CCC[C@]2(CCO2)C1 ZINC001172856052 1132341687 /nfs/dbraw/zinc/34/16/87/1132341687.db2.gz HJDUEXVHJXXSFP-WBMJQRKESA-N 0 1 297.801 3.665 20 0 CHADMN COCCN(Cc1nc(-c2ccccc2)cs1)C(C)C ZINC001231683296 1132345124 /nfs/dbraw/zinc/34/51/24/1132345124.db2.gz RDAHWXFJURFDPC-UHFFFAOYSA-N 0 1 290.432 3.667 20 0 CHADMN COc1cc(Cl)c(CN2CCC[C@@H](C)C2)c(OC)c1 ZINC001231694441 1132345849 /nfs/dbraw/zinc/34/58/49/1132345849.db2.gz PJXDGQMYVOONCX-LLVKDONJSA-N 0 1 283.799 3.589 20 0 CHADMN COc1cc(Cl)c(CN2CCC(C)CC2)c(OC)c1 ZINC001231694385 1132346927 /nfs/dbraw/zinc/34/69/27/1132346927.db2.gz OLBLEYBPJOBEJF-UHFFFAOYSA-N 0 1 283.799 3.589 20 0 CHADMN COc1cc(Cl)c(CN2CC[C@H](C)C[C@H]2C)c(OC)c1 ZINC001231696741 1132347908 /nfs/dbraw/zinc/34/79/08/1132347908.db2.gz JCNNUSDOQQJRMD-NWDGAFQWSA-N 0 1 297.826 3.978 20 0 CHADMN COc1cc(Cl)c(CN(C)CC2CCC2)c(OC)c1 ZINC001231697097 1132348442 /nfs/dbraw/zinc/34/84/42/1132348442.db2.gz OTXSNQWEDKQYOB-UHFFFAOYSA-N 0 1 283.799 3.589 20 0 CHADMN Cc1cccc(CCN(C)Cc2cccnc2OC(C)C)c1 ZINC001231759935 1132354229 /nfs/dbraw/zinc/35/42/29/1132354229.db2.gz YWOKDAXHPWPBID-UHFFFAOYSA-N 0 1 298.430 3.852 20 0 CHADMN CC(C)Oc1ncccc1CN(C)[C@@H]1CCc2ccccc21 ZINC001231760897 1132354858 /nfs/dbraw/zinc/35/48/58/1132354858.db2.gz PMVDQYZOQSWCQJ-GOSISDBHSA-N 0 1 296.414 3.988 20 0 CHADMN CCCN(Cc1ccccc1)Cc1cccnc1OCC ZINC001231764526 1132355836 /nfs/dbraw/zinc/35/58/36/1132355836.db2.gz GMWOZJVESLSAOZ-UHFFFAOYSA-N 0 1 284.403 3.893 20 0 CHADMN CC(C)Sc1nc2sccn2c1C[N@H+]1CCC[C@@H]1C ZINC001231774465 1132357024 /nfs/dbraw/zinc/35/70/24/1132357024.db2.gz RSUVWUOVEDBTRF-NSHDSACASA-N 0 1 295.477 3.881 20 0 CHADMN CC(C)Sc1nc2sccn2c1CN1CCC[C@@H]1C ZINC001231774465 1132357032 /nfs/dbraw/zinc/35/70/32/1132357032.db2.gz RSUVWUOVEDBTRF-NSHDSACASA-N 0 1 295.477 3.881 20 0 CHADMN CCOc1ncccc1C[N@H+]1CCC2(C1)CCCCC2 ZINC001231767149 1132358142 /nfs/dbraw/zinc/35/81/42/1132358142.db2.gz QSBWAJOFRUJENM-UHFFFAOYSA-N 0 1 274.408 3.637 20 0 CHADMN Cc1n[nH]c(C)c1NC(=O)/C=C\[C@]1(C)CC[C@@H](C)C1(C)C ZINC000841381066 1132360156 /nfs/dbraw/zinc/36/01/56/1132360156.db2.gz FUZHMZDWDVGRPM-YXMCWKFNSA-N 0 1 289.423 3.984 20 0 CHADMN CC(C)Cc1ccc(CN2CCCC(=O)[C@H](C)C2)cc1 ZINC001231787404 1132362338 /nfs/dbraw/zinc/36/23/38/1132362338.db2.gz ZNQCRLPIJUEFRH-OAHLLOKOSA-N 0 1 273.420 3.686 20 0 CHADMN CC(C)Cc1ccc(CN2CCC(=O)[C@@H](C)CC2)cc1 ZINC001231787396 1132363159 /nfs/dbraw/zinc/36/31/59/1132363159.db2.gz YZUXLTSVUJMBKQ-HNNXBMFYSA-N 0 1 273.420 3.686 20 0 CHADMN C[C@]1(Cc2nc(=O)c3sccc3[nH]2)CC1(Cl)Cl ZINC000841497503 1132368704 /nfs/dbraw/zinc/36/87/04/1132368704.db2.gz ICOHQQXTIQPRBU-JTQLQIEISA-N 0 1 289.187 3.523 20 0 CHADMN CCCc1ccc(CN2CCc3cnccc3C2)cc1 ZINC001142348594 1132372774 /nfs/dbraw/zinc/37/27/74/1132372774.db2.gz DSIJDWYAGMLNJX-UHFFFAOYSA-N 0 1 266.388 3.592 20 0 CHADMN CCCc1ccc(CN2CCc3ccncc3C2)cc1 ZINC001142364384 1132375689 /nfs/dbraw/zinc/37/56/89/1132375689.db2.gz RDFVGGSNOQXIET-UHFFFAOYSA-N 0 1 266.388 3.592 20 0 CHADMN CCCOC1CCC([N@H+]2CCCC(F)(F)[C@H](F)C2)CC1 ZINC001173094855 1132385188 /nfs/dbraw/zinc/38/51/88/1132385188.db2.gz BKJHSJWEPJBYGR-JXQTWKCFSA-N 0 1 293.373 3.793 20 0 CHADMN CCCOC1CCC(N(C)CC(=O)c2ccccc2)CC1 ZINC001173102065 1132390797 /nfs/dbraw/zinc/39/07/97/1132390797.db2.gz WXYYSYWCIRQEAT-UHFFFAOYSA-N 0 1 289.419 3.539 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc3c2OCCO3)cc1C ZINC001231886375 1132391930 /nfs/dbraw/zinc/39/19/30/1132391930.db2.gz MDJDBWGQENNURD-UHFFFAOYSA-N 0 1 297.398 3.707 20 0 CHADMN C[C@H]1CCN(Cc2ccnc(C(F)F)c2)[C@@H](C)C1 ZINC001231890351 1132393246 /nfs/dbraw/zinc/39/32/46/1132393246.db2.gz YYAKJGBVZGFGAD-QWRGUYRKSA-N 0 1 254.324 3.640 20 0 CHADMN COc1cccc(CN(C)Cc2ccnc(C(F)F)c2)c1 ZINC001231890843 1132394721 /nfs/dbraw/zinc/39/47/21/1132394721.db2.gz OAAWKBSPQSYWNJ-UHFFFAOYSA-N 0 1 292.329 3.660 20 0 CHADMN C[C@H](N[C@@H]1COCc2ccccc21)c1ccc2c(c1)CCO2 ZINC000841762631 1132395666 /nfs/dbraw/zinc/39/56/66/1132395666.db2.gz ZBRGHGYCNQXCFM-SCLBCKFNSA-N 0 1 295.382 3.544 20 0 CHADMN COc1cccc2c(CN(C)Cc3ccccc3F)c[nH]c21 ZINC001231900877 1132396014 /nfs/dbraw/zinc/39/60/14/1132396014.db2.gz RLUQKLSEFXDMGU-UHFFFAOYSA-N 0 1 298.361 3.948 20 0 CHADMN COc1cccc2c(CN3CCc4sccc4C3)c[nH]c21 ZINC001231894848 1132397312 /nfs/dbraw/zinc/39/73/12/1132397312.db2.gz ZJNQCORMFOKKFR-UHFFFAOYSA-N 0 1 298.411 3.796 20 0 CHADMN COc1cccc2c(CN3CCCCC34CC4)c[nH]c21 ZINC001231898077 1132397463 /nfs/dbraw/zinc/39/74/63/1132397463.db2.gz FAKHGZPBVCZIER-UHFFFAOYSA-N 0 1 270.376 3.695 20 0 CHADMN Cn1cnc2c1CCN(C1CCC3(CCCCC3)CC1)C2 ZINC001173120926 1132400353 /nfs/dbraw/zinc/40/03/53/1132400353.db2.gz JAMYUGQZALVUOL-UHFFFAOYSA-N 0 1 287.451 3.671 20 0 CHADMN Cc1cc(CN2CCSC[C@H]2C2CCC2)cnc1Cl ZINC000841893384 1132400823 /nfs/dbraw/zinc/40/08/23/1132400823.db2.gz JSSRPRSJBUGONP-AWEZNQCLSA-N 0 1 296.867 3.761 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cnc(F)c(C)c1 ZINC001231927074 1132401212 /nfs/dbraw/zinc/40/12/12/1132401212.db2.gz IUQKVTUHUICPGE-UHFFFAOYSA-N 0 1 276.330 3.690 20 0 CHADMN F[C@@H]1CCC2(C1)CCN(Cc1ncccc1Cl)CC2 ZINC001231958716 1132404218 /nfs/dbraw/zinc/40/42/18/1132404218.db2.gz AEPJLUDDBFQERH-GFCCVEGCSA-N 0 1 282.790 3.839 20 0 CHADMN Clc1nccc2ccc(C[N@H+]3CCC[C@@H]4C[C@@H]43)cc21 ZINC001231977723 1132404908 /nfs/dbraw/zinc/40/49/08/1132404908.db2.gz FDUCSYYLNFKRKC-HIFRSBDPSA-N 0 1 272.779 3.873 20 0 CHADMN Clc1nccc2ccc(CN3CCC[C@@H]4C[C@@H]43)cc21 ZINC001231977723 1132404912 /nfs/dbraw/zinc/40/49/12/1132404912.db2.gz FDUCSYYLNFKRKC-HIFRSBDPSA-N 0 1 272.779 3.873 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCC[C@H](F)C1 ZINC001232003598 1132409722 /nfs/dbraw/zinc/40/97/22/1132409722.db2.gz CDRMVBXBWOHTST-ZDUSSCGKSA-N 0 1 275.289 3.948 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCC[C@@H]1CF ZINC001232006302 1132410847 /nfs/dbraw/zinc/41/08/47/1132410847.db2.gz VFCQXSDNKXSERF-CYBMUJFWSA-N 0 1 275.289 3.948 20 0 CHADMN Oc1cncc(CN2CCC(CCc3ccccc3)CC2)c1 ZINC001232042590 1132415121 /nfs/dbraw/zinc/41/51/21/1132415121.db2.gz JJEIRZBUPATEQI-UHFFFAOYSA-N 0 1 296.414 3.632 20 0 CHADMN C[C@@H]1CCCCC[N@H+]1Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142657294 1132417956 /nfs/dbraw/zinc/41/79/56/1132417956.db2.gz URUVATKHFZNAGW-LLVKDONJSA-N 0 1 281.783 3.803 20 0 CHADMN FC(F)(F)c1cccc(CN2CCC3(CCCC3)C2)n1 ZINC001232072594 1132418026 /nfs/dbraw/zinc/41/80/26/1132418026.db2.gz SIPKKACQNVGRGX-UHFFFAOYSA-N 0 1 284.325 3.867 20 0 CHADMN FC(F)(F)c1cccc(CN2CCC[C@H]3CCC[C@H]32)n1 ZINC001232071481 1132418766 /nfs/dbraw/zinc/41/87/66/1132418766.db2.gz ICSQBOHVAPNMJO-DGCLKSJQSA-N 0 1 284.325 3.865 20 0 CHADMN C[N@H+](Cc1ccc(Cl)cc1C(=O)[O-])CC1CCCC1 ZINC001142660279 1132419033 /nfs/dbraw/zinc/41/90/33/1132419033.db2.gz MMTFXJSAJIYWPZ-UHFFFAOYSA-N 0 1 281.783 3.660 20 0 CHADMN FC(F)(F)c1cccc(CN2CCC[C@H]3CCC[C@@H]32)n1 ZINC001232071486 1132419082 /nfs/dbraw/zinc/41/90/82/1132419082.db2.gz ICSQBOHVAPNMJO-YPMHNXCESA-N 0 1 284.325 3.865 20 0 CHADMN C[C@H]1CN(Cc2cc3ccncc3[nH]2)Cc2ccccc21 ZINC001232090896 1132421050 /nfs/dbraw/zinc/42/10/50/1132421050.db2.gz QGQPBZBTGAVVHO-ZDUSSCGKSA-N 0 1 277.371 3.682 20 0 CHADMN CN(Cc1cc(Cl)cs1)C1CC(F)(F)C1 ZINC001232277293 1132449353 /nfs/dbraw/zinc/44/93/53/1132449353.db2.gz ULEDPTUBKLXXIM-UHFFFAOYSA-N 0 1 251.729 3.631 20 0 CHADMN CC(=O)Nc1ccc(CN(C)Cc2ccsc2)c(C)c1 ZINC001232187053 1132431844 /nfs/dbraw/zinc/43/18/44/1132431844.db2.gz DFVLEQRGOWCOAF-UHFFFAOYSA-N 0 1 288.416 3.647 20 0 CHADMN CC[C@@H]1CCCN(Cc2ncc(C)cc2Br)C1 ZINC001232176966 1132432157 /nfs/dbraw/zinc/43/21/57/1132432157.db2.gz FBFRVOZZWVQVNC-GFCCVEGCSA-N 0 1 297.240 3.775 20 0 CHADMN Cc1cnc(CN2CCCCC[C@H]2C)c(Br)c1 ZINC001232176274 1132432356 /nfs/dbraw/zinc/43/23/56/1132432356.db2.gz PDTOPRIKDXAUAL-GFCCVEGCSA-N 0 1 297.240 3.917 20 0 CHADMN CC[C@@H]1CC[C@H](n2c3cc(Cl)ccc3nc2CN)C1 ZINC001173266181 1132432725 /nfs/dbraw/zinc/43/27/25/1132432725.db2.gz XYBYPUMFUCOOFW-PWSUYJOCSA-N 0 1 277.799 3.900 20 0 CHADMN c1cc(CN2CCC(n3ccc4ccccc43)CC2)sn1 ZINC001232192275 1132433491 /nfs/dbraw/zinc/43/34/91/1132433491.db2.gz CJBLQUKMDWEBNL-UHFFFAOYSA-N 0 1 297.427 3.935 20 0 CHADMN Cc1cc(Br)ncc1CN1CCC[C@H](C)CC1 ZINC001232313997 1132453058 /nfs/dbraw/zinc/45/30/58/1132453058.db2.gz IGBRMAPRWKUQEU-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN Fc1cccc2c(CN3CC[C@@H](C(F)(F)F)C3)ccnc12 ZINC001232210073 1132435671 /nfs/dbraw/zinc/43/56/71/1132435671.db2.gz VLTWWHQYPSCSMV-LLVKDONJSA-N 0 1 298.283 3.758 20 0 CHADMN Cc1scnc1CN1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001232211559 1132436662 /nfs/dbraw/zinc/43/66/62/1132436662.db2.gz HGAXFSCNUSZDGQ-BETUJISGSA-N 0 1 270.401 3.538 20 0 CHADMN CCCCCCN(C)Cc1nc(-c2csc(C)n2)no1 ZINC000842508290 1132437235 /nfs/dbraw/zinc/43/72/35/1132437235.db2.gz OCANYTATXVQQQH-UHFFFAOYSA-N 0 1 294.424 3.514 20 0 CHADMN c1nscc1CN1CCC2(CCCCC2)CC1 ZINC001232224656 1132439247 /nfs/dbraw/zinc/43/92/47/1132439247.db2.gz NQNBRRGPSRMZAG-UHFFFAOYSA-N 0 1 250.411 3.689 20 0 CHADMN c1nscc1CN1CCCC[C@@H]1c1ccccc1 ZINC001232224261 1132439540 /nfs/dbraw/zinc/43/95/40/1132439540.db2.gz IVORBFFIKIUMLU-OAHLLOKOSA-N 0 1 258.390 3.870 20 0 CHADMN COc1cccc(C2CCN(Cc3cnsc3)CC2)c1 ZINC001232231615 1132441416 /nfs/dbraw/zinc/44/14/16/1132441416.db2.gz QXAODSAPAXDVNQ-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN CC[C@@H]1CC[C@H](n2cncc2CNCc2ccccc2)C1 ZINC001173295179 1132443786 /nfs/dbraw/zinc/44/37/86/1132443786.db2.gz QDDIPOMZQIZODL-WBVHZDCISA-N 0 1 283.419 3.924 20 0 CHADMN COCc1cccc(CN2CC=C(c3ccccc3)CC2)n1 ZINC001232257152 1132444448 /nfs/dbraw/zinc/44/44/48/1132444448.db2.gz LFVKFWSWLLNFFE-UHFFFAOYSA-N 0 1 294.398 3.517 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1cccc(COC)n1 ZINC001232260665 1132445575 /nfs/dbraw/zinc/44/55/75/1132445575.db2.gz PPOXTUVUCNMENU-UHFFFAOYSA-N 0 1 284.403 3.559 20 0 CHADMN CC[C@H](C)c1ccc(-c2nc(C3(N)CCC3)no2)cc1 ZINC000842619050 1132446130 /nfs/dbraw/zinc/44/61/30/1132446130.db2.gz XMCSGDTUXYYQIA-NSHDSACASA-N 0 1 271.364 3.588 20 0 CHADMN CC(C)c1nc(CCN(C)Cc2cc(Cl)cs2)no1 ZINC001232277278 1132448454 /nfs/dbraw/zinc/44/84/54/1132448454.db2.gz SNWGTEJYPFOOJW-UHFFFAOYSA-N 0 1 299.827 3.582 20 0 CHADMN CCCCC[C@H](NCc1cncnc1OC)c1ccccc1 ZINC000842674971 1132449080 /nfs/dbraw/zinc/44/90/80/1132449080.db2.gz MDWBFHFETBWKPX-KRWDZBQOSA-N 0 1 299.418 3.896 20 0 CHADMN COc1ncncc1CN[C@H](c1ccccc1)C1CCCC1 ZINC000842673263 1132449374 /nfs/dbraw/zinc/44/93/74/1132449374.db2.gz KVHREUJNIUTRQW-QGZVFWFLSA-N 0 1 297.402 3.506 20 0 CHADMN CCc1sc(CN2CC[C@H](C)C2)cc1Br ZINC001232287664 1132449415 /nfs/dbraw/zinc/44/94/15/1132449415.db2.gz VUZMYLSNWUVMPC-VIFPVBQESA-N 0 1 288.254 3.915 20 0 CHADMN CCOc1ccc(CN2CC[C@H]2c2ccccc2)c(C)n1 ZINC001232310030 1132452116 /nfs/dbraw/zinc/45/21/16/1132452116.db2.gz JRSOBCSYEBYUGS-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN CCOc1ccc(CN2CCC[C@H]2c2ccncc2)c(C)n1 ZINC001232312127 1132452881 /nfs/dbraw/zinc/45/28/81/1132452881.db2.gz OYHRZMOWPOQMAG-KRWDZBQOSA-N 0 1 297.402 3.521 20 0 CHADMN CCOc1ncc(CN(C)Cc2ccccc2C)cc1C ZINC001232309484 1132452980 /nfs/dbraw/zinc/45/29/80/1132452980.db2.gz PKZMXHMKMKQZAR-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN Cc1nc(N)ccc1CN1CCCC[C@H]1c1ccccc1F ZINC001232340828 1132456171 /nfs/dbraw/zinc/45/61/71/1132456171.db2.gz AMFODXAKDJTELY-KRWDZBQOSA-N 0 1 299.393 3.839 20 0 CHADMN CSc1ccc(CN(C)C/C=C/c2ccccc2)cn1 ZINC001232333429 1132456670 /nfs/dbraw/zinc/45/66/70/1132456670.db2.gz RPKIWJMSAGLGLP-RMKNXTFCSA-N 0 1 284.428 3.949 20 0 CHADMN Fc1ccccc1C1(NCc2cnn3ccccc23)CCC1 ZINC000842746932 1132458415 /nfs/dbraw/zinc/45/84/15/1132458415.db2.gz GMMMASLSSTVGFO-UHFFFAOYSA-N 0 1 295.361 3.642 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1cccc(-c3ccccn3)c1)C2 ZINC001142848810 1132461136 /nfs/dbraw/zinc/46/11/36/1132461136.db2.gz DBSWQBJNXIMETI-HKUYNNGSSA-N 0 1 294.398 3.502 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(OC)c(Cl)cc2OC)C1 ZINC001232374737 1132462825 /nfs/dbraw/zinc/46/28/25/1132462825.db2.gz ZMUPDRZXEYIRGV-LBPRGKRZSA-N 0 1 297.826 3.979 20 0 CHADMN CC(C)=CCC[C@H](C)CC(=O)OCc1nc(C(C)C)n[nH]1 ZINC000842802806 1132464134 /nfs/dbraw/zinc/46/41/34/1132464134.db2.gz IWZILEHXLHQGSJ-ZDUSSCGKSA-N 0 1 293.411 3.744 20 0 CHADMN CC(C)=CCC[C@H](C)CC(=O)OCc1n[nH]c(C(C)C)n1 ZINC000842802806 1132464139 /nfs/dbraw/zinc/46/41/39/1132464139.db2.gz IWZILEHXLHQGSJ-ZDUSSCGKSA-N 0 1 293.411 3.744 20 0 CHADMN C[C@H](NC/C=C/c1ccccc1)c1cc2n(n1)CCCC2 ZINC000842841074 1132467306 /nfs/dbraw/zinc/46/73/06/1132467306.db2.gz SHJGVPOMYYMDIL-VSGCLNPGSA-N 0 1 281.403 3.583 20 0 CHADMN Cc1cccc(C)c1CN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000842851122 1132468775 /nfs/dbraw/zinc/46/87/75/1132468775.db2.gz CDXGRNDTDXAZPJ-HNNXBMFYSA-N 0 1 283.419 3.687 20 0 CHADMN Cc1cccc(C)c1CN[C@H](C)c1cc2n(n1)CCCC2 ZINC000842851123 1132468795 /nfs/dbraw/zinc/46/87/95/1132468795.db2.gz CDXGRNDTDXAZPJ-OAHLLOKOSA-N 0 1 283.419 3.687 20 0 CHADMN FC(F)(F)c1ccc(CN2C[C@@H]3CCC[C@H]3C2)o1 ZINC001232442477 1132469455 /nfs/dbraw/zinc/46/94/55/1132469455.db2.gz FHYGFJMSXSHOLY-UWVGGRQHSA-N 0 1 259.271 3.530 20 0 CHADMN c1cnc(C2(N[C@@H]3CCCC4(CCCCC4)C3)CC2)nc1 ZINC001173345179 1132470461 /nfs/dbraw/zinc/47/04/61/1132470461.db2.gz RICBTROPFQZSEM-OAHLLOKOSA-N 0 1 285.435 3.948 20 0 CHADMN C[C@@H](NCc1ccc(F)c(F)c1F)c1ccccc1 ZINC000083481111 1132473635 /nfs/dbraw/zinc/47/36/35/1132473635.db2.gz QVMCDQSZSXYGKX-SNVBAGLBSA-N 0 1 265.278 3.955 20 0 CHADMN Cc1ncc(CN(C)Cc2ccc(Cl)cc2Cl)[nH]1 ZINC001232458346 1132473827 /nfs/dbraw/zinc/47/38/27/1132473827.db2.gz FMGXWDKVVVOBIW-UHFFFAOYSA-N 0 1 284.190 3.657 20 0 CHADMN C(N[C@@H]1CCCC2(CCCCC2)C1)c1nc(C2CC2)no1 ZINC001173350396 1132474377 /nfs/dbraw/zinc/47/43/77/1132474377.db2.gz WMSLHUSOCPBWQH-CQSZACIVSA-N 0 1 289.423 3.930 20 0 CHADMN Fc1ccccc1C1(N[C@H]2CCCc3n[nH]cc32)CCC1 ZINC000842904741 1132474416 /nfs/dbraw/zinc/47/44/16/1132474416.db2.gz GNUDZBFEEFNBGJ-HNNXBMFYSA-N 0 1 285.366 3.595 20 0 CHADMN Cc1cc(Br)c(CN2CCC[C@H]2C)cc1F ZINC001232468074 1132475529 /nfs/dbraw/zinc/47/55/29/1132475529.db2.gz KNXGCKDPJWFPJI-SNVBAGLBSA-N 0 1 286.188 3.881 20 0 CHADMN Cc1cccc(F)c1CN1CCN(C)C[C@@H]1c1ccccc1 ZINC001232482446 1132477032 /nfs/dbraw/zinc/47/70/32/1132477032.db2.gz SJYAXNKPOZEYJK-LJQANCHMSA-N 0 1 298.405 3.623 20 0 CHADMN Cc1cccc(F)c1CN1CCC[C@@H]1c1ccncc1 ZINC001232483091 1132478049 /nfs/dbraw/zinc/47/80/49/1132478049.db2.gz BLVBIIISVFGQMV-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cccc(F)c1CN1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001232490254 1132480588 /nfs/dbraw/zinc/48/05/88/1132480588.db2.gz PITADBSNLDRHCK-IRXDYDNUSA-N 0 1 295.357 3.546 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1cccc(Br)c1N ZINC001232524582 1132483089 /nfs/dbraw/zinc/48/30/89/1132483089.db2.gz YPMSQZMPNPRCMX-PHIMTYICSA-N 0 1 297.240 3.794 20 0 CHADMN FCc1cccc(CN2CCC3(CC(F)(F)C3)CC2)n1 ZINC001232532806 1132483138 /nfs/dbraw/zinc/48/31/38/1132483138.db2.gz CFBMBDHECWTOLG-UHFFFAOYSA-N 0 1 284.325 3.562 20 0 CHADMN COc1cc(C)c(CN2CC[C@](C)(F)[C@H](F)C2)c(C)c1 ZINC001142933602 1132483358 /nfs/dbraw/zinc/48/33/58/1132483358.db2.gz XFUSNPBRZHLOIL-CVEARBPZSA-N 0 1 283.362 3.584 20 0 CHADMN CC[C@@H]1CCCN(Cc2cncc(Br)c2C)C1 ZINC001232531100 1132483848 /nfs/dbraw/zinc/48/38/48/1132483848.db2.gz UAFZMFAMSGHVRD-GFCCVEGCSA-N 0 1 297.240 3.775 20 0 CHADMN FCc1cccc(CN2CCC(c3cccs3)CC2)n1 ZINC001232536879 1132483958 /nfs/dbraw/zinc/48/39/58/1132483958.db2.gz SDQSOUKOZYGIRL-UHFFFAOYSA-N 0 1 290.407 3.992 20 0 CHADMN CCOC(=O)c1ccc(CN(C)C2CC(C)C2)c(Cl)c1 ZINC001232592624 1132492010 /nfs/dbraw/zinc/49/20/10/1132492010.db2.gz UKGOKTAZVCKLDP-UHFFFAOYSA-N 0 1 295.810 3.747 20 0 CHADMN Fc1cccc([C@@H]2CCCN2Cc2ccc3nccn3c2)c1 ZINC001143028896 1132495005 /nfs/dbraw/zinc/49/50/05/1132495005.db2.gz LDCKOOTYOAASJW-KRWDZBQOSA-N 0 1 295.361 3.811 20 0 CHADMN Fc1cccc([C@H]2CCCN2Cc2ccc3nccn3c2)c1 ZINC001143028897 1132495013 /nfs/dbraw/zinc/49/50/13/1132495013.db2.gz LDCKOOTYOAASJW-QGZVFWFLSA-N 0 1 295.361 3.811 20 0 CHADMN CC1CC([N@@H+](C)Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232623996 1132496609 /nfs/dbraw/zinc/49/66/09/1132496609.db2.gz AJFFMGCCCIAQEI-UHFFFAOYSA-N 0 1 274.191 3.929 20 0 CHADMN C[N@@H+](CCC1CC1)Cc1ccc(Cl)c([O-])c1Cl ZINC001232626756 1132497855 /nfs/dbraw/zinc/49/78/55/1132497855.db2.gz AJSPHQIXBNZBNH-UHFFFAOYSA-N 0 1 274.191 3.931 20 0 CHADMN CCCCCC[C@H](C)c1nc([C@@H](N)C(C)C)no1 ZINC000843148999 1132498604 /nfs/dbraw/zinc/49/86/04/1132498604.db2.gz HMGIXFKGHIRXMV-RYUDHWBXSA-N 0 1 253.390 3.799 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2cc3cccc(Cl)c3o2)n1 ZINC000843152728 1132498653 /nfs/dbraw/zinc/49/86/53/1132498653.db2.gz RAYUQGFDKRSOFP-LLVKDONJSA-N 0 1 291.738 3.792 20 0 CHADMN C[C@]1(F)CCN(Cc2cccc3c2CCCC3)C[C@H]1F ZINC001232634798 1132498671 /nfs/dbraw/zinc/49/86/71/1132498671.db2.gz WKVVYEYVPZZDQL-SJORKVTESA-N 0 1 279.374 3.837 20 0 CHADMN CCCCC[C@@H](CC)c1nc([C@@H](N)C(C)C)no1 ZINC000843151405 1132498978 /nfs/dbraw/zinc/49/89/78/1132498978.db2.gz ZFCMDJBCNMGORE-NEPJUHHUSA-N 0 1 253.390 3.799 20 0 CHADMN CC[C@H](C)c1ccc(-c2nc([C@H](N)C(C)C)no2)cc1 ZINC000843149206 1132499053 /nfs/dbraw/zinc/49/90/53/1132499053.db2.gz JJQGDCBGWBYIJF-SMDDNHRTSA-N 0 1 273.380 3.906 20 0 CHADMN Brc1coc(CN2CCC[C@@H]3CCC[C@@H]32)c1 ZINC001232857659 1132530820 /nfs/dbraw/zinc/53/08/20/1132530820.db2.gz USNNJKQEFDNQOJ-GWCFXTLKSA-N 0 1 284.197 3.807 20 0 CHADMN Brc1coc(CN2CC[C@H]3CCC[C@H]3C2)c1 ZINC001232851517 1132530836 /nfs/dbraw/zinc/53/08/36/1132530836.db2.gz DTGVENPDHFPLCY-MNOVXSKESA-N 0 1 284.197 3.664 20 0 CHADMN Brc1ccoc1CN1CC[C@@H]2CCC[C@H]2C1 ZINC001143119349 1132503396 /nfs/dbraw/zinc/50/33/96/1132503396.db2.gz MFDWZTIGPLJWPC-QWRGUYRKSA-N 0 1 284.197 3.664 20 0 CHADMN Brc1ccc(CN2CCC3(CCCC3)C2)[nH]1 ZINC001232687923 1132504505 /nfs/dbraw/zinc/50/45/05/1132504505.db2.gz KWFTYLMXSJITCL-UHFFFAOYSA-N 0 1 283.213 3.543 20 0 CHADMN COc1cc(C)cc(CN(C)Cc2cccc(F)c2)c1 ZINC001143149283 1132507746 /nfs/dbraw/zinc/50/77/46/1132507746.db2.gz DGRDKMPMAQREAP-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN COc1cc(C)cc(OC)c1C[N@@H+](C)CC1CCCC1 ZINC001143144250 1132508724 /nfs/dbraw/zinc/50/87/24/1132508724.db2.gz ILERZIBQCUKIRT-UHFFFAOYSA-N 0 1 277.408 3.634 20 0 CHADMN COc1cc(C)cc(CN2CCC[C@H](C(F)(F)F)C2)c1 ZINC001143158162 1132509714 /nfs/dbraw/zinc/50/97/14/1132509714.db2.gz VVWYKENQJMETEY-ZDUSSCGKSA-N 0 1 287.325 3.778 20 0 CHADMN Cc1cc(CO)cc(Nc2cc(C)nc3ccccc32)c1 ZINC001212751781 1132511285 /nfs/dbraw/zinc/51/12/85/1132511285.db2.gz ZUMLZTNIBFHUNN-UHFFFAOYSA-N 0 1 278.355 3.509 20 0 CHADMN C[C@@H]1CN(Cc2ccc3ncsc3c2)CCC1(F)F ZINC001232736877 1132511329 /nfs/dbraw/zinc/51/13/29/1132511329.db2.gz MXSPZRHRSGCXQG-SNVBAGLBSA-N 0 1 282.359 3.773 20 0 CHADMN Clc1ccc2cc(C[N@H+]3CCC[C@]34CCOC4)[nH]c2c1 ZINC001232735516 1132511820 /nfs/dbraw/zinc/51/18/20/1132511820.db2.gz XDXSAXQTQUOMTB-MRXNPFEDSA-N 0 1 290.794 3.576 20 0 CHADMN CC[N@@H+](Cc1ccc2ncsc2c1)Cc1ccccn1 ZINC001232742923 1132513374 /nfs/dbraw/zinc/51/33/74/1132513374.db2.gz HIHFSYDBNQYOSG-UHFFFAOYSA-N 0 1 283.400 3.713 20 0 CHADMN CCN(Cc1ccc2ncsc2c1)Cc1ccccn1 ZINC001232742923 1132513383 /nfs/dbraw/zinc/51/33/83/1132513383.db2.gz HIHFSYDBNQYOSG-UHFFFAOYSA-N 0 1 283.400 3.713 20 0 CHADMN Cc1c(CN2CCC(F)(F)C(C)(C)C2)ccnc1Cl ZINC001232748632 1132514350 /nfs/dbraw/zinc/51/43/50/1132514350.db2.gz CQUWDRMCRTWNLK-UHFFFAOYSA-N 0 1 288.769 3.911 20 0 CHADMN Cc1ccc(CN(C)Cc2ccnc(Cl)c2C)cc1 ZINC001232752680 1132516392 /nfs/dbraw/zinc/51/63/92/1132516392.db2.gz MNJVAYVWFYGDJG-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CN(Cc1cc2cccnc2[nH]1)Cc1cccc(Cl)c1 ZINC001143220070 1132519475 /nfs/dbraw/zinc/51/94/75/1132519475.db2.gz FDDFCIKALHDNPS-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)C[C@H]2C)c(F)cc1F ZINC001232782675 1132519440 /nfs/dbraw/zinc/51/94/40/1132519440.db2.gz OCPFWHWNQUJXOC-ZYHUDNBSSA-N 0 1 253.336 3.894 20 0 CHADMN Cc1cc(CN2CC[C@@H](c3cccnc3)C2)c(F)cc1F ZINC001232782142 1132519522 /nfs/dbraw/zinc/51/95/22/1132519522.db2.gz FWQXMAFSODISTE-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN [O-]c1cccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1Cl ZINC001232786016 1132521249 /nfs/dbraw/zinc/52/12/49/1132521249.db2.gz NPTLLMBXLAWQOX-RYUDHWBXSA-N 0 1 265.784 3.668 20 0 CHADMN CCCn1cnc(CN2CCC[C@H](Cc3ccccc3)C2)c1 ZINC001232798456 1132523928 /nfs/dbraw/zinc/52/39/28/1132523928.db2.gz GWBYTEJZJQVCJQ-GOSISDBHSA-N 0 1 297.446 3.748 20 0 CHADMN CCCn1cnc(CN2CCC[C@H]2c2ccc(C)cc2)c1 ZINC001232798387 1132525141 /nfs/dbraw/zinc/52/51/41/1132525141.db2.gz DPZNDBDZMCKOIH-SFHVURJKSA-N 0 1 283.419 3.939 20 0 CHADMN CCOc1ccc(CN2C[C@@H]3CCC[C@H]3C2)c(F)c1F ZINC001143267976 1132525850 /nfs/dbraw/zinc/52/58/50/1132525850.db2.gz VIBKPKMWNCSAPQ-RYUDHWBXSA-N 0 1 281.346 3.595 20 0 CHADMN CCOc1ccc(CN2CC[C@@H](C)C[C@H]2C)c(F)c1F ZINC001143276204 1132528229 /nfs/dbraw/zinc/52/82/29/1132528229.db2.gz IUPIUWYFCGVATM-VXGBXAGGSA-N 0 1 283.362 3.984 20 0 CHADMN CN(Cc1ccc(F)c(F)c1Cl)C1CCCC1 ZINC001232877030 1132535591 /nfs/dbraw/zinc/53/55/91/1132535591.db2.gz YKHNKAMBFKMTLQ-UHFFFAOYSA-N 0 1 259.727 3.993 20 0 CHADMN COc1c(F)ccc(CN2CCC(C(C)C)CC2)c1F ZINC001143322089 1132536778 /nfs/dbraw/zinc/53/67/78/1132536778.db2.gz UQAOCRXNQHOIKB-UHFFFAOYSA-N 0 1 283.362 3.841 20 0 CHADMN COc1c(F)ccc(CN2CCC[C@H]3CCC[C@@H]32)c1F ZINC001143321512 1132537303 /nfs/dbraw/zinc/53/73/03/1132537303.db2.gz JKTPPTUOZRAUQH-RISCZKNCSA-N 0 1 281.346 3.738 20 0 CHADMN F[C@H]1CN(Cc2cncc(-c3ccccc3)c2)C[C@@H]2C[C@@H]21 ZINC001232898857 1132540565 /nfs/dbraw/zinc/54/05/65/1132540565.db2.gz KCKNRXXPZYJDIF-BZSNNMDCSA-N 0 1 282.362 3.538 20 0 CHADMN CN(Cc1cncc(-c2ccccc2)c1)C[C@H]1CCCCO1 ZINC001232900575 1132540622 /nfs/dbraw/zinc/54/06/22/1132540622.db2.gz DIRAGJASRXAAII-LJQANCHMSA-N 0 1 296.414 3.750 20 0 CHADMN OCc1cc(Nc2ccc(-c3ccccc3)cc2)ccn1 ZINC001173809997 1132543736 /nfs/dbraw/zinc/54/37/36/1132543736.db2.gz PTMWGPJXJJRTPB-UHFFFAOYSA-N 0 1 276.339 3.985 20 0 CHADMN CC1CN(Cc2cccc(SC(F)(F)F)c2)C1 ZINC001232945802 1132548209 /nfs/dbraw/zinc/54/82/09/1132548209.db2.gz LLXKQMAKZCCBQX-UHFFFAOYSA-N 0 1 261.312 3.750 20 0 CHADMN Cc1nc2ccc(NC(=O)c3ccsc3Cl)cc2[nH]1 ZINC001150105857 1132550553 /nfs/dbraw/zinc/55/05/53/1132550553.db2.gz DDHRRYHLFIBRTG-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN Cn1nc(C(C)(C)C)cc1Nc1ccc(Cl)c(O)c1F ZINC001214793803 1132551930 /nfs/dbraw/zinc/55/19/30/1132551930.db2.gz LRKKTWYEKODEKB-UHFFFAOYSA-N 0 1 297.761 3.959 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C)cc2[nH]1 ZINC001150106309 1132552171 /nfs/dbraw/zinc/55/21/71/1132552171.db2.gz KKTDLURRCQLVAK-GXFFZTMASA-N 0 1 271.364 3.636 20 0 CHADMN COC(=O)c1ccccc1Nc1ccc(Cl)c(O)c1F ZINC001214801241 1132553071 /nfs/dbraw/zinc/55/30/71/1132553071.db2.gz GBXPZJSZHDNPHZ-UHFFFAOYSA-N 0 1 295.697 3.715 20 0 CHADMN CC(=O)Nc1ccc(Nc2ccc(Cl)c(O)c2F)cc1 ZINC001214798962 1132553135 /nfs/dbraw/zinc/55/31/35/1132553135.db2.gz DNQQXIVTGBECDD-UHFFFAOYSA-N 0 1 294.713 3.887 20 0 CHADMN Oc1c(Cl)ccc(Nc2cccc3c2CCO3)c1F ZINC001214801129 1132553524 /nfs/dbraw/zinc/55/35/24/1132553524.db2.gz ABOHYXLYUQVOTL-UHFFFAOYSA-N 0 1 279.698 3.863 20 0 CHADMN c1cc2c(cn1)C[N@@H+](Cc1ccc(C3CC3)cc1)CC2 ZINC001232983590 1132554483 /nfs/dbraw/zinc/55/44/83/1132554483.db2.gz QGIAKNWPKRAJFZ-UHFFFAOYSA-N 0 1 264.372 3.517 20 0 CHADMN c1cc2c(cn1)CN(Cc1ccc(C3CC3)cc1)CC2 ZINC001232983590 1132554487 /nfs/dbraw/zinc/55/44/87/1132554487.db2.gz QGIAKNWPKRAJFZ-UHFFFAOYSA-N 0 1 264.372 3.517 20 0 CHADMN O=C1CCN(Cc2ccc(C3CC3)cc2)[C@@H]2CCCC[C@H]12 ZINC001232985078 1132554518 /nfs/dbraw/zinc/55/45/18/1132554518.db2.gz VPIBGHYQNPAROY-ZWKOTPCHSA-N 0 1 283.415 3.898 20 0 CHADMN Cc1ncc(F)cc1CN1CCC[C@@H]1c1ccccc1 ZINC001232988467 1132558723 /nfs/dbraw/zinc/55/87/23/1132558723.db2.gz BINCYROTUQWCFA-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(C3CC3)cc2)cn1 ZINC001232986583 1132559020 /nfs/dbraw/zinc/55/90/20/1132559020.db2.gz SHGHDJOVCWFIPR-UHFFFAOYSA-N 0 1 266.388 3.899 20 0 CHADMN CC(C)(C)c1nnc(Nc2c(F)cccc2F)s1 ZINC001173858374 1132560070 /nfs/dbraw/zinc/56/00/70/1132560070.db2.gz AZDSZEAMJOFDPM-UHFFFAOYSA-N 0 1 269.320 3.857 20 0 CHADMN Cc1cc(C)c(CN(C)C/C=C/c2ccccc2)cn1 ZINC001233010128 1132562306 /nfs/dbraw/zinc/56/23/06/1132562306.db2.gz QXUBHSMHHWJGFC-JXMROGBWSA-N 0 1 266.388 3.844 20 0 CHADMN Oc1cccc(CN2CCC(Cc3ccccc3)CC2)c1F ZINC001233049821 1132566820 /nfs/dbraw/zinc/56/68/20/1132566820.db2.gz UHIHEOBAMITKEF-UHFFFAOYSA-N 0 1 299.389 3.986 20 0 CHADMN [O-]c1cccc(C[NH+]2CCC(Cc3ccccc3)CC2)c1F ZINC001233049821 1132566821 /nfs/dbraw/zinc/56/68/21/1132566821.db2.gz UHIHEOBAMITKEF-UHFFFAOYSA-N 0 1 299.389 3.986 20 0 CHADMN [O-]c1cccc(C[NH+]2CCC3(CCCC3)CC2)c1F ZINC001233051078 1132566986 /nfs/dbraw/zinc/56/69/86/1132566986.db2.gz ILKRWQNHTYDIGL-UHFFFAOYSA-N 0 1 263.356 3.688 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c1F ZINC001233052477 1132567084 /nfs/dbraw/zinc/56/70/84/1132567084.db2.gz NSXBAAMMNBQVAO-INIZCTEOSA-N 0 1 299.389 3.986 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c1F ZINC001233052477 1132567089 /nfs/dbraw/zinc/56/70/89/1132567089.db2.gz NSXBAAMMNBQVAO-INIZCTEOSA-N 0 1 299.389 3.986 20 0 CHADMN Oc1cccc(CN2CCC[C@@H]2c2ccccc2)c1F ZINC001233052122 1132567849 /nfs/dbraw/zinc/56/78/49/1132567849.db2.gz GIXVHFAMXLAQBE-OAHLLOKOSA-N 0 1 271.335 3.868 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1cc(O)ccc1Br ZINC000131848642 1132572398 /nfs/dbraw/zinc/57/23/98/1132572398.db2.gz PXXLTOSEOCHIFH-QWRGUYRKSA-N 0 1 298.224 3.918 20 0 CHADMN Cc1cccc2c1CCN(Cc1cnc(C)c(C)c1)C2 ZINC001233156023 1132575239 /nfs/dbraw/zinc/57/52/39/1132575239.db2.gz FYEWYUPTXYTUHC-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN CN1CCN(c2cccc(NC=Cc3ccccc3)c2)CC1 ZINC001173872514 1132576691 /nfs/dbraw/zinc/57/66/91/1132576691.db2.gz LYGPAKXGPORXLJ-ZHACJKMWSA-N 0 1 293.414 3.521 20 0 CHADMN COc1cccc(Nc2c(C)nc3ccc(F)cn32)c1 ZINC001173826063 1132581353 /nfs/dbraw/zinc/58/13/53/1132581353.db2.gz IZLQMXCMIPSJQD-UHFFFAOYSA-N 0 1 271.295 3.534 20 0 CHADMN Cc1cccc(-c2ccc(CN3C[C@@H]4C[C@H]3CO4)cc2)c1 ZINC001233225458 1132584818 /nfs/dbraw/zinc/58/48/18/1132584818.db2.gz QBNABQXTXFXEMY-OALUTQOASA-N 0 1 279.383 3.635 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1ccc(C)c(O)c1)CC2 ZINC001233231740 1132585016 /nfs/dbraw/zinc/58/50/16/1132585016.db2.gz ZGDFAKQWBMLANP-UHFFFAOYSA-N 0 1 267.372 3.567 20 0 CHADMN Oc1ccc(CN2CC3(C2)CCCC3)cc1OCC1CC1 ZINC001233224701 1132585407 /nfs/dbraw/zinc/58/54/07/1132585407.db2.gz ASOIXYOUZHWKIG-UHFFFAOYSA-N 0 1 287.403 3.557 20 0 CHADMN Cc1ccc(CN2CC[C@@H]2c2ccccc2)cc1O ZINC001233234045 1132586854 /nfs/dbraw/zinc/58/68/54/1132586854.db2.gz JHDGLFHCDNLDOB-MRXNPFEDSA-N 0 1 253.345 3.648 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC001152804825 1132587039 /nfs/dbraw/zinc/58/70/39/1132587039.db2.gz GNNUWSKGBGJXNK-INMHGKMJSA-N 0 1 282.472 3.534 20 0 CHADMN Cc1ccc(CN(C)Cc2cnn3ccccc23)cc1C ZINC001233238637 1132587475 /nfs/dbraw/zinc/58/74/75/1132587475.db2.gz KMJDNFIONSOGAK-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1cccc(Cl)c1O ZINC001152995788 1132590008 /nfs/dbraw/zinc/59/00/08/1132590008.db2.gz RZHHBSFHLLCDOR-DBIOUOCHSA-N 0 1 279.767 3.666 20 0 CHADMN [S-]c1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC001233261246 1132590143 /nfs/dbraw/zinc/59/01/43/1132590143.db2.gz IAODUCUWXVFQKZ-KRWDZBQOSA-N 0 1 285.412 3.549 20 0 CHADMN [S-]c1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC001233261268 1132590234 /nfs/dbraw/zinc/59/02/34/1132590234.db2.gz IQMLHWHMQOVDAB-MRXNPFEDSA-N 0 1 285.412 3.629 20 0 CHADMN FC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233259501 1132590256 /nfs/dbraw/zinc/59/02/56/1132590256.db2.gz VQCWUYNQMADJGB-LBPRGKRZSA-N 0 1 293.329 3.699 20 0 CHADMN Cc1cccc(C[N@@H+](C)Cc2ccc([S-])cc2)c1 ZINC001233258448 1132590878 /nfs/dbraw/zinc/59/08/78/1132590878.db2.gz FUVBYDOXYVMLLK-UHFFFAOYSA-N 0 1 257.402 3.916 20 0 CHADMN [S-]c1ccc(C[N@H+]2CCc3sccc3C2)cc1 ZINC001233259380 1132590965 /nfs/dbraw/zinc/59/09/65/1132590965.db2.gz QHMVLSOVQSFJNL-UHFFFAOYSA-N 0 1 261.415 3.595 20 0 CHADMN COc1cccc(CC[N@@H+](C)Cc2ccc([S-])cc2)c1 ZINC001233261359 1132591043 /nfs/dbraw/zinc/59/10/43/1132591043.db2.gz MDNLXOGONKUXQD-UHFFFAOYSA-N 0 1 287.428 3.658 20 0 CHADMN COc1ccccc1CC[N@@H+](C)Cc1ccc([S-])cc1 ZINC001233261121 1132591418 /nfs/dbraw/zinc/59/14/18/1132591418.db2.gz CAOXEFOKQRKDPU-UHFFFAOYSA-N 0 1 287.428 3.658 20 0 CHADMN CC[C@H](C)C[C@@H](C)NC(=O)c1cnc2[nH]ccc(Cl)c1-2 ZINC001153106009 1132591644 /nfs/dbraw/zinc/59/16/44/1132591644.db2.gz MQLWSQAIKNDIQO-VHSXEESVSA-N 0 1 293.798 3.771 20 0 CHADMN CC(C)CCCC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC001153340871 1132592113 /nfs/dbraw/zinc/59/21/13/1132592113.db2.gz XZEMCHIGPUJFCW-UHFFFAOYSA-N 0 1 286.419 3.929 20 0 CHADMN CC(C)CCCC(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC001153340871 1132592119 /nfs/dbraw/zinc/59/21/19/1132592119.db2.gz XZEMCHIGPUJFCW-UHFFFAOYSA-N 0 1 286.419 3.929 20 0 CHADMN CCN(Cc1cccc2c1CCO2)Cc1ccccc1F ZINC001233277240 1132592848 /nfs/dbraw/zinc/59/28/48/1132592848.db2.gz SYBAPTRMWROMNT-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN CCCC1CCN(C(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC001153608449 1132597181 /nfs/dbraw/zinc/59/71/81/1132597181.db2.gz VVNVILGYCWMPPF-UHFFFAOYSA-N 0 1 285.391 3.524 20 0 CHADMN CCC1(NC(=O)c2cccc3nc(C)[nH]c32)CCCCC1 ZINC001153614223 1132597217 /nfs/dbraw/zinc/59/72/17/1132597217.db2.gz VZLRWSYRIJZPSL-UHFFFAOYSA-N 0 1 285.391 3.714 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)c2cnc3nc[nH]c3c2)cc1 ZINC001153722996 1132599641 /nfs/dbraw/zinc/59/96/41/1132599641.db2.gz CBAQITIKPOZZMK-LLVKDONJSA-N 0 1 294.358 3.724 20 0 CHADMN COc1cc(F)c(CN2CCCC[C@H](C)C2)cc1F ZINC001233340917 1132602967 /nfs/dbraw/zinc/60/29/67/1132602967.db2.gz VWJXXTYUMLAVQT-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN COc1cc(F)c(CN(C)CCc2cccs2)cc1F ZINC001233343459 1132605737 /nfs/dbraw/zinc/60/57/37/1132605737.db2.gz NGYOYSOVSFGGNO-UHFFFAOYSA-N 0 1 297.370 3.709 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cnc2cccc(Cl)n12 ZINC001233355777 1132610276 /nfs/dbraw/zinc/61/02/76/1132610276.db2.gz MDCIEVJLMYPWEI-TXEJJXNPSA-N 0 1 277.799 3.751 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1cnc2cccc(Cl)n12 ZINC001233355777 1132610280 /nfs/dbraw/zinc/61/02/80/1132610280.db2.gz MDCIEVJLMYPWEI-TXEJJXNPSA-N 0 1 277.799 3.751 20 0 CHADMN Cc1ncc(CN2CCC(c3ccc(F)cc3F)CC2)o1 ZINC001233368558 1132612423 /nfs/dbraw/zinc/61/24/23/1132612423.db2.gz VQHCACOQHPXPAC-UHFFFAOYSA-N 0 1 292.329 3.641 20 0 CHADMN Cc1ncc(CN2CCC(Sc3ccccc3)CC2)o1 ZINC001233367907 1132612613 /nfs/dbraw/zinc/61/26/13/1132612613.db2.gz MIPHKECDCRPJPS-UHFFFAOYSA-N 0 1 288.416 3.740 20 0 CHADMN Nc1cc(F)c(F)cc1CN1CCC[C@H]1c1ccccc1 ZINC001233381178 1132613465 /nfs/dbraw/zinc/61/34/65/1132613465.db2.gz SDAJLFRJVCTDBF-KRWDZBQOSA-N 0 1 288.341 3.884 20 0 CHADMN Clc1ccn2cc(CN3CCC34CCCCC4)nc2c1 ZINC001233388880 1132613519 /nfs/dbraw/zinc/61/35/19/1132613519.db2.gz PPSDXNKQQVJWPC-UHFFFAOYSA-N 0 1 289.810 3.896 20 0 CHADMN CC[N@@H+](Cc1ccc(C)cc1)Cc1cc(F)c(F)cc1N ZINC001233382398 1132614976 /nfs/dbraw/zinc/61/49/76/1132614976.db2.gz STNJYRLPRYSAQW-UHFFFAOYSA-N 0 1 290.357 3.878 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1cc(F)c(F)cc1N ZINC001233382398 1132614982 /nfs/dbraw/zinc/61/49/82/1132614982.db2.gz STNJYRLPRYSAQW-UHFFFAOYSA-N 0 1 290.357 3.878 20 0 CHADMN COc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c(Cl)c1[O-] ZINC001233398126 1132616244 /nfs/dbraw/zinc/61/62/44/1132616244.db2.gz ZOSGHBHYKDFQMB-TXEJJXNPSA-N 0 1 295.810 3.676 20 0 CHADMN COc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c(Cl)c1[O-] ZINC001233398126 1132616249 /nfs/dbraw/zinc/61/62/49/1132616249.db2.gz ZOSGHBHYKDFQMB-TXEJJXNPSA-N 0 1 295.810 3.676 20 0 CHADMN Clc1cccn2cc(CN3CC[C@H]4CCC[C@H]4C3)nc12 ZINC001233420769 1132619878 /nfs/dbraw/zinc/61/98/78/1132619878.db2.gz XMJVDLFTEOVJDT-OLZOCXBDSA-N 0 1 289.810 3.610 20 0 CHADMN C[C@H]1CCCCN(Cc2cn3cccc(Cl)c3n2)C1 ZINC001233420739 1132620022 /nfs/dbraw/zinc/62/00/22/1132620022.db2.gz WNVAAMSLUOYHDJ-LBPRGKRZSA-N 0 1 277.799 3.610 20 0 CHADMN Clc1cccn2cc(CN3C[C@@H]4CCCC[C@@H]4C3)nc12 ZINC001233420304 1132621387 /nfs/dbraw/zinc/62/13/87/1132621387.db2.gz HRKLCAFDSDDFGT-BETUJISGSA-N 0 1 289.810 3.610 20 0 CHADMN CC(C)(C)OC(=O)n1ccc(CN2CCC3(CC3)CC2)c1 ZINC001233430401 1132622284 /nfs/dbraw/zinc/62/22/84/1132622284.db2.gz LWMWBPJYYQUNBZ-UHFFFAOYSA-N 0 1 290.407 3.647 20 0 CHADMN CC(C)C1CCN(Cc2c[nH]c(Br)c2)CC1 ZINC001233437541 1132623134 /nfs/dbraw/zinc/62/31/34/1132623134.db2.gz DJRMAGUQTXOJFZ-UHFFFAOYSA-N 0 1 285.229 3.645 20 0 CHADMN COc1ccc(-c2cccc(Nc3ccncc3)c2)cc1 ZINC001173883245 1132623224 /nfs/dbraw/zinc/62/32/24/1132623224.db2.gz CRRNNPQDDRWGEB-UHFFFAOYSA-N 0 1 276.339 3.923 20 0 CHADMN COc1ccccc1-c1cccc(Nc2ccncc2)c1 ZINC001173883256 1132623565 /nfs/dbraw/zinc/62/35/65/1132623565.db2.gz DGAFTEDSNKPZPH-UHFFFAOYSA-N 0 1 276.339 3.923 20 0 CHADMN Fc1cnc(Cl)c2cccc(Nc3ccncc3)c12 ZINC001173883982 1132624942 /nfs/dbraw/zinc/62/49/42/1132624942.db2.gz AJDAKKFFMWENGV-UHFFFAOYSA-N 0 1 273.698 3.588 20 0 CHADMN CCc1ccc(Br)cc1Nc1ccncc1 ZINC001173885125 1132625530 /nfs/dbraw/zinc/62/55/30/1132625530.db2.gz KDGMVUSPBSKEME-UHFFFAOYSA-N 0 1 277.165 3.572 20 0 CHADMN Cc1cc2ccccc2c(NCCC2CCOCC2)n1 ZINC001154850384 1132628237 /nfs/dbraw/zinc/62/82/37/1132628237.db2.gz GMRPLGZGQVSIOT-UHFFFAOYSA-N 0 1 270.376 3.772 20 0 CHADMN C[C@H]1CN(Cc2cn3c(cccc3Cl)n2)CCC[C@@H]1C ZINC001233550910 1132635296 /nfs/dbraw/zinc/63/52/96/1132635296.db2.gz MCQKJUQESJRMCA-STQMWFEESA-N 0 1 291.826 3.856 20 0 CHADMN O=c1cc(Cl)c(O[C@H]2CCc3cc(Cl)ccc32)n[nH]1 ZINC001233586863 1132641789 /nfs/dbraw/zinc/64/17/89/1132641789.db2.gz JSYLHUSBLYNPMA-NSHDSACASA-N 0 1 297.141 3.555 20 0 CHADMN CCCC1CCC(Oc2n[nH]c(=O)cc2Cl)CC1 ZINC001233586377 1132642460 /nfs/dbraw/zinc/64/24/60/1132642460.db2.gz FHDCXQUNLLDAJE-UHFFFAOYSA-N 0 1 270.760 3.573 20 0 CHADMN O=c1cc(Cl)c(O[C@@H]2CC[C@H]3CCCC[C@H]3C2)n[nH]1 ZINC001233585256 1132642598 /nfs/dbraw/zinc/64/25/98/1132642598.db2.gz BXCPVJZKNVESAJ-OUAUKWLOSA-N 0 1 282.771 3.573 20 0 CHADMN CC(=O)c1ccsc1Nc1ccccc1CN(C)C ZINC001173929581 1132643231 /nfs/dbraw/zinc/64/32/31/1132643231.db2.gz FFZQJVWOXJUGHT-UHFFFAOYSA-N 0 1 274.389 3.756 20 0 CHADMN CCC[C@@H]1CCCC[C@@H]1Oc1n[nH]c(=O)cc1Cl ZINC001233590152 1132644200 /nfs/dbraw/zinc/64/42/00/1132644200.db2.gz OFAZLHFGCKNQTD-KOLCDFICSA-N 0 1 270.760 3.573 20 0 CHADMN Clc1cccc2nc(CN3CCC[C@H]4CCC[C@H]43)cn21 ZINC001233600321 1132646171 /nfs/dbraw/zinc/64/61/71/1132646171.db2.gz VOKFLWCKCYJIOU-TZMCWYRMSA-N 0 1 289.810 3.752 20 0 CHADMN Cc1ccc(NCc2ccc(C(F)(F)F)n2C)nc1C ZINC001155242362 1132650253 /nfs/dbraw/zinc/65/02/53/1132650253.db2.gz DOZZOAATEOKXFZ-UHFFFAOYSA-N 0 1 283.297 3.668 20 0 CHADMN COC(=O)c1ccc(C2(Nc3ccc(C)c(C)n3)CC2)cc1 ZINC001155308152 1132652530 /nfs/dbraw/zinc/65/25/30/1132652530.db2.gz MOPPKLOTAKHPCD-UHFFFAOYSA-N 0 1 296.370 3.586 20 0 CHADMN Cc1cc(CN2CC[C@@](C)(F)[C@H](F)C2)sc1C ZINC001233656657 1132658514 /nfs/dbraw/zinc/65/85/14/1132658514.db2.gz ZWUKHUBEDLZEAZ-CHWSQXEVSA-N 0 1 259.365 3.637 20 0 CHADMN Cc1cnc(N2Cc3ccccc3C(C)(C)C2)cc1C ZINC001155469391 1132659525 /nfs/dbraw/zinc/65/95/25/1132659525.db2.gz TUJNIYHGDGPQEY-UHFFFAOYSA-N 0 1 266.388 3.996 20 0 CHADMN Cc1cc(CN2CCO[C@H](c3ccccc3)C2)sc1C ZINC001233685251 1132663929 /nfs/dbraw/zinc/66/39/29/1132663929.db2.gz PEVHMOAIXNFBDG-KRWDZBQOSA-N 0 1 287.428 3.938 20 0 CHADMN COc1ccnc(NCc2c(Cl)ccc(C)c2F)c1 ZINC001155828819 1132666830 /nfs/dbraw/zinc/66/68/30/1132666830.db2.gz PMJMFSCPGZXYRB-UHFFFAOYSA-N 0 1 280.730 3.803 20 0 CHADMN O=S(=O)(c1ccccc1)c1ccccc1N=C1CCCC1 ZINC001173999420 1132671267 /nfs/dbraw/zinc/67/12/67/1132671267.db2.gz MXMHYMZDELYKGP-UHFFFAOYSA-N 0 1 299.395 3.999 20 0 CHADMN c1cc(Nc2cnc3ccccc3c2)n(-c2ccncc2)n1 ZINC001174001811 1132672239 /nfs/dbraw/zinc/67/22/39/1132672239.db2.gz JEXZFAWLQHGYBQ-UHFFFAOYSA-N 0 1 287.326 3.559 20 0 CHADMN Cc1cnc(NC(C)(C)Cc2ccc(F)cc2)c(N)c1 ZINC001155968443 1132673813 /nfs/dbraw/zinc/67/38/13/1132673813.db2.gz CRROULUCBYJHIC-UHFFFAOYSA-N 0 1 273.355 3.545 20 0 CHADMN CCOc1ccnc(N[C@@H](c2cccnc2)C(F)(F)F)c1 ZINC001156153821 1132684912 /nfs/dbraw/zinc/68/49/12/1132684912.db2.gz AIACHWQYXJYDHD-ZDUSSCGKSA-N 0 1 297.280 3.591 20 0 CHADMN CCOc1ccnc(NCc2cnc3ccccc3c2)c1 ZINC001156175412 1132686672 /nfs/dbraw/zinc/68/66/72/1132686672.db2.gz UZVQOKQEDSVACE-UHFFFAOYSA-N 0 1 279.343 3.641 20 0 CHADMN Cc1cccc2ccnc(NC[C@@H]3CCCCO3)c12 ZINC001156381597 1132691389 /nfs/dbraw/zinc/69/13/89/1132691389.db2.gz SNFMUOFTQDPNGL-AWEZNQCLSA-N 0 1 256.349 3.524 20 0 CHADMN COc1ccc(Nc2c(C)nc3ccc(F)cn32)c(C)c1 ZINC001174022283 1132695591 /nfs/dbraw/zinc/69/55/91/1132695591.db2.gz PQMCPQCEPDWELK-UHFFFAOYSA-N 0 1 285.322 3.842 20 0 CHADMN Nc1cc2c(ccn2-c2ccnc3ccccc32)c(F)c1 ZINC001174040248 1132705669 /nfs/dbraw/zinc/70/56/69/1132705669.db2.gz YYWSXRDIDMRGNM-UHFFFAOYSA-N 0 1 277.302 3.900 20 0 CHADMN COc1ccc2c(ccnc2N[C@@H](C)c2ccc(F)cn2)c1 ZINC001156676085 1132705779 /nfs/dbraw/zinc/70/57/79/1132705779.db2.gz KGGCCOXWZFCOPT-NSHDSACASA-N 0 1 297.333 3.951 20 0 CHADMN Cc1cccc2ncc(Nc3ccc4c(ccn4C)c3)n21 ZINC001174097826 1132714856 /nfs/dbraw/zinc/71/48/56/1132714856.db2.gz YEOGCRLMHAAVJR-UHFFFAOYSA-N 0 1 276.343 3.878 20 0 CHADMN Cc1nc2cc(CNc3ncc(C)cc3C)ccc2o1 ZINC001156935155 1132716388 /nfs/dbraw/zinc/71/63/88/1132716388.db2.gz SAULMMMPSIUJLA-UHFFFAOYSA-N 0 1 267.332 3.760 20 0 CHADMN COCc1ccccc1Nc1cnc2cccc(C)n12 ZINC001174104881 1132721746 /nfs/dbraw/zinc/72/17/46/1132721746.db2.gz ZZGIFFXWFJXPNO-UHFFFAOYSA-N 0 1 267.332 3.533 20 0 CHADMN Cc1cccc2ccnc(N(C(=N)N)c3ccc(F)cc3)c12 ZINC001157230950 1132725021 /nfs/dbraw/zinc/72/50/21/1132725021.db2.gz NZCTYFUVEVIVPE-UHFFFAOYSA-N 0 1 294.333 3.714 20 0 CHADMN Cc1cccc2c1ccnc2N(C(=N)N)c1ccc(F)cc1 ZINC001157226125 1132725631 /nfs/dbraw/zinc/72/56/31/1132725631.db2.gz MMENIIJFKFDDAO-UHFFFAOYSA-N 0 1 294.333 3.714 20 0 CHADMN Cc1cc(Nc2cc(C)ccc2F)n(-c2ccncc2)n1 ZINC001174111657 1132727059 /nfs/dbraw/zinc/72/70/59/1132727059.db2.gz YYWCLKRNVREWAS-UHFFFAOYSA-N 0 1 282.322 3.767 20 0 CHADMN O=C(Nc1ccc2cncn2c1)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001157396547 1132731518 /nfs/dbraw/zinc/73/15/18/1132731518.db2.gz OMVMQCOPCCVRLE-SHTZXODSSA-N 0 1 297.402 3.879 20 0 CHADMN CCOc1ccnc(N2CCC(c3cccc(O)c3)CC2)c1 ZINC001157571458 1132735332 /nfs/dbraw/zinc/73/53/32/1132735332.db2.gz AZBITHKCFDRSCA-UHFFFAOYSA-N 0 1 298.386 3.570 20 0 CHADMN Cc1ccc(N2C[C@H](C)OC[C@@H]2c2ccccc2)nc1C ZINC001158286795 1132768310 /nfs/dbraw/zinc/76/83/10/1132768310.db2.gz SUTBFOKTLSFCGP-WMLDXEAASA-N 0 1 282.387 3.665 20 0 CHADMN O=C1CCCc2ccc(Nc3ccc4nccn4c3)cc21 ZINC001174279359 1132769613 /nfs/dbraw/zinc/76/96/13/1132769613.db2.gz VKHBOUORBXXVQG-UHFFFAOYSA-N 0 1 277.327 3.597 20 0 CHADMN Oc1ccc2c(cccc2Nc2ccc3nccn3c2)c1 ZINC001174280406 1132770045 /nfs/dbraw/zinc/77/00/45/1132770045.db2.gz UVYYKLHTIXCUNK-UHFFFAOYSA-N 0 1 275.311 3.937 20 0 CHADMN FC(F)Oc1cccc(Nc2ccc3nccn3c2)c1 ZINC001174279305 1132770520 /nfs/dbraw/zinc/77/05/20/1132770520.db2.gz SEFYLQZORCGYHF-UHFFFAOYSA-N 0 1 275.258 3.679 20 0 CHADMN COc1ccc(C(C)=O)c(Nc2ccc3nccn3c2)c1C ZINC001174279374 1132770549 /nfs/dbraw/zinc/77/05/49/1132770549.db2.gz WGBZZLKTVLMIRG-UHFFFAOYSA-N 0 1 295.342 3.598 20 0 CHADMN Fc1cc(Nc2ccc3nccn3c2)ccc1Cl ZINC001174276363 1132784531 /nfs/dbraw/zinc/78/45/31/1132784531.db2.gz CQQKZSPONCMYLA-UHFFFAOYSA-N 0 1 261.687 3.870 20 0 CHADMN Cc1nc2cc(Nc3ccc4nccn4c3)ccc2s1 ZINC001174276234 1132784745 /nfs/dbraw/zinc/78/47/45/1132784745.db2.gz ACMOHSHNIKYQPD-UHFFFAOYSA-N 0 1 280.356 3.996 20 0 CHADMN Cc1cc(Nc2ccc3nccn3c2)cc(C)c1F ZINC001174277627 1132785698 /nfs/dbraw/zinc/78/56/98/1132785698.db2.gz JMDXSSWOOBUTLR-UHFFFAOYSA-N 0 1 255.296 3.834 20 0 CHADMN Fc1ccc2ncc(Nc3ccc4nccn4c3)cc2c1 ZINC001174277851 1132785719 /nfs/dbraw/zinc/78/57/19/1132785719.db2.gz DPKAMIGLQWUDPD-UHFFFAOYSA-N 0 1 278.290 3.765 20 0 CHADMN Cc1cc(=O)[nH]c2cc(Nc3ccc4nccn4c3)ccc12 ZINC001174277584 1132785999 /nfs/dbraw/zinc/78/59/99/1132785999.db2.gz HCIUSPOYLHKGAV-UHFFFAOYSA-N 0 1 290.326 3.640 20 0 CHADMN Oc1ccc2cccc(Nc3ccc4nccn4c3)c2c1 ZINC001174278805 1132787449 /nfs/dbraw/zinc/78/74/49/1132787449.db2.gz IXYLMESRLYTVPU-UHFFFAOYSA-N 0 1 275.311 3.937 20 0 CHADMN Cn1cncc1Nc1cccc(OCc2ccccc2F)c1 ZINC001174311488 1132790780 /nfs/dbraw/zinc/79/07/80/1132790780.db2.gz HSERIZIXOXECED-UHFFFAOYSA-N 0 1 297.333 3.882 20 0 CHADMN Cn1cncc1Nc1cccc(Oc2ccccc2)c1 ZINC001174314003 1132792291 /nfs/dbraw/zinc/79/22/91/1132792291.db2.gz YFCFOBFHCCATJV-UHFFFAOYSA-N 0 1 265.316 3.956 20 0 CHADMN Cc1nc2sccc2c(Nc2cccc3[nH]ncc32)n1 ZINC001174342084 1132799004 /nfs/dbraw/zinc/79/90/04/1132799004.db2.gz DVMSSGHLRCKNCF-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN COc1ccc(Nc2cccc3[nH]ncc32)cc1Cl ZINC001174343544 1132800596 /nfs/dbraw/zinc/80/05/96/1132800596.db2.gz BSFHTNHQVZHGQB-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN COc1ccc(Cl)c(Nc2cccc3[nH]ncc32)c1 ZINC001174344487 1132801033 /nfs/dbraw/zinc/80/10/33/1132801033.db2.gz CQZOBFCUYLBFBR-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN Cc1cccc(-n2nccc2Nc2cccc3[nH]ncc32)c1 ZINC001174343260 1132802392 /nfs/dbraw/zinc/80/23/92/1132802392.db2.gz MKHPDSWOBSGBSF-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1nc2c(cccc2Nc2cccc3[nH]ncc32)o1 ZINC001174344012 1132802448 /nfs/dbraw/zinc/80/24/48/1132802448.db2.gz JWXWBEYRXUFFOE-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN c1n[nH]c2cccc(Nc3cccnc3C3CCC3)c12 ZINC001174344684 1132803160 /nfs/dbraw/zinc/80/31/60/1132803160.db2.gz NIFIUJYVMWGRDJ-UHFFFAOYSA-N 0 1 264.332 3.969 20 0 CHADMN Cc1cnc(N[C@H](c2ccc(F)cc2)C(C)C)c(N)c1 ZINC001159062835 1132804940 /nfs/dbraw/zinc/80/49/40/1132804940.db2.gz UIAQBJNOVJHTPG-HNNXBMFYSA-N 0 1 273.355 3.921 20 0 CHADMN COC(=O)c1cc(C)c(F)cc1Nc1cccc2[nH]ncc21 ZINC001174347794 1132806034 /nfs/dbraw/zinc/80/60/34/1132806034.db2.gz MBHYKKCKCJALOF-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1cc(Nc2cccc3c2CCN3)c2ccccc2n1 ZINC001159105558 1132806665 /nfs/dbraw/zinc/80/66/65/1132806665.db2.gz WSUBGBMEKBIRRI-UHFFFAOYSA-N 0 1 275.355 3.677 20 0 CHADMN Cc1ncc(NC2=CCCN(Cc3ccccc3)C2)s1 ZINC001174395057 1132810969 /nfs/dbraw/zinc/81/09/69/1132810969.db2.gz RPSHCUOIRUQOEU-UHFFFAOYSA-N 0 1 285.416 3.653 20 0 CHADMN Cc1cc(Nc2cc([C@@H]3CCCCN3)no2)ccc1F ZINC001159308887 1132827599 /nfs/dbraw/zinc/82/75/99/1132827599.db2.gz NWLZPNPFZXREID-ZDUSSCGKSA-N 0 1 275.327 3.680 20 0 CHADMN Fc1ccc(Nc2cc([C@@H]3CCCCN3)no2)c(F)c1 ZINC001159309247 1132828154 /nfs/dbraw/zinc/82/81/54/1132828154.db2.gz RRPYVRZUZFDCHH-LBPRGKRZSA-N 0 1 279.290 3.511 20 0 CHADMN C(CCc1ccccc1)=Nc1cc([C@H]2CCCCN2)no1 ZINC001159313199 1132829843 /nfs/dbraw/zinc/82/98/43/1132829843.db2.gz JJXCPLMPGQDNMS-KXCGHJCSSA-N 0 1 283.375 3.658 20 0 CHADMN Cc1ccc(CC=Nc2cc([C@H]3CCCCN3)no2)cc1 ZINC001159313310 1132830211 /nfs/dbraw/zinc/83/02/11/1132830211.db2.gz LLYDQGICTYSMLG-SLZMIMFISA-N 0 1 283.375 3.880 20 0 CHADMN CCc1ccc(CN2CCc3ccccc3[C@@H]2C)o1 ZINC001204388806 1132838548 /nfs/dbraw/zinc/83/85/48/1132838548.db2.gz FYRIQBRZWUKFPK-ZDUSSCGKSA-N 0 1 255.361 3.961 20 0 CHADMN COc1cc(Nc2ccc3c(c2)CCCN3)ncc1C ZINC001159415520 1132840159 /nfs/dbraw/zinc/84/01/59/1132840159.db2.gz RRRGRELPAUWVSP-UHFFFAOYSA-N 0 1 269.348 3.500 20 0 CHADMN Cc1ncn(C)c1Nc1cc(F)ccc1C(F)(F)F ZINC001174484367 1132856554 /nfs/dbraw/zinc/85/65/54/1132856554.db2.gz FBRKFIFZOUYHLO-UHFFFAOYSA-N 0 1 273.233 3.630 20 0 CHADMN CCc1ccc(C)[nH+]c1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174493980 1132860676 /nfs/dbraw/zinc/86/06/76/1132860676.db2.gz OKZDSKYJHLKBBY-CSKARUKUSA-N 0 1 282.343 3.794 20 0 CHADMN c1n[nH]c2cc(Nc3cc(C4CCCC4)no3)ccc12 ZINC001174498823 1132864094 /nfs/dbraw/zinc/86/40/94/1132864094.db2.gz JERYEKYKRKXHMC-UHFFFAOYSA-N 0 1 268.320 3.952 20 0 CHADMN CC(C)c1cncc(Nc2ccc3c[nH]nc3c2)c1 ZINC001174498948 1132865177 /nfs/dbraw/zinc/86/51/77/1132865177.db2.gz NKGXLMRTVZQBCS-UHFFFAOYSA-N 0 1 252.321 3.825 20 0 CHADMN FC(F)(F)Oc1ccncc1Nc1ccc2c[nH]nc2c1 ZINC001174499432 1132865686 /nfs/dbraw/zinc/86/56/86/1132865686.db2.gz VUPZWBVEGDHGMQ-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN Nc1ccc(N(c2ccc3cn[nH]c3c2)C2CCCC2)nc1 ZINC001174499406 1132866218 /nfs/dbraw/zinc/86/62/18/1132866218.db2.gz VCKDZOWYSIWDMD-UHFFFAOYSA-N 0 1 293.374 3.621 20 0 CHADMN COc1c(C)cc(C)cc1Nc1cccc2[nH]ncc21 ZINC001159575364 1132866379 /nfs/dbraw/zinc/86/63/79/1132866379.db2.gz ZAZORGYNIBDVFI-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1c(F)cc(Nc2cccc3[nH]ncc32)cc1F ZINC001159575354 1132866763 /nfs/dbraw/zinc/86/67/63/1132866763.db2.gz YKQVCDLLVOYWAP-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2c(c1)NCCC2 ZINC001159604342 1132873191 /nfs/dbraw/zinc/87/31/91/1132873191.db2.gz MQZSKGPTNDGWRE-UHFFFAOYSA-N 0 1 278.359 3.973 20 0 CHADMN Nc1cccc(Cl)c1Nc1ccc2c[nH]nc2c1 ZINC001159615617 1132874886 /nfs/dbraw/zinc/87/48/86/1132874886.db2.gz BQORRODNBGBHHZ-UHFFFAOYSA-N 0 1 258.712 3.542 20 0 CHADMN Cc1[nH]nc2ccc(Nc3c(N)cccc3Cl)cc12 ZINC001159619687 1132877101 /nfs/dbraw/zinc/87/71/01/1132877101.db2.gz AMTVWPWGMNQHBP-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN O=c1[nH]c2ccccc2cc1Nc1ccc2c[nH]nc2c1 ZINC001159661778 1132885035 /nfs/dbraw/zinc/88/50/35/1132885035.db2.gz FNRJGENLUDVOOM-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN COCOc1cc(C)c(Nc2ccc3c[nH]nc3c2)c(C)c1 ZINC001159662872 1132886926 /nfs/dbraw/zinc/88/69/26/1132886926.db2.gz IZLJADYZLKWKBP-UHFFFAOYSA-N 0 1 297.358 3.906 20 0 CHADMN Cc1c(F)c(F)ccc1Nc1ccc2c[nH]nc2c1 ZINC001159662938 1132887840 /nfs/dbraw/zinc/88/78/40/1132887840.db2.gz MFBDUMJJVLWQCF-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Clc1cc2n[nH]cc2c(Nc2ccc3c[nH]nc3c2)c1 ZINC001159663157 1132887866 /nfs/dbraw/zinc/88/78/66/1132887866.db2.gz RPDMJCHXEBYQMR-UHFFFAOYSA-N 0 1 283.722 3.836 20 0 CHADMN CCOc1cc(Nc2ccc3c[nH]nc3c2)c(Cl)cn1 ZINC001159663396 1132888079 /nfs/dbraw/zinc/88/80/79/1132888079.db2.gz ZMQCTTSQWQXYPY-UHFFFAOYSA-N 0 1 288.738 3.754 20 0 CHADMN CCOc1c(Cl)cc(Nc2ccncc2)cc1Cl ZINC001174534477 1132895621 /nfs/dbraw/zinc/89/56/21/1132895621.db2.gz TVQGUZLCKIHHDA-UHFFFAOYSA-N 0 1 283.158 3.953 20 0 CHADMN CC(C)(NCOc1ccccc1)c1ccnc(Cl)c1 ZINC001159706243 1132896363 /nfs/dbraw/zinc/89/63/63/1132896363.db2.gz PFVVMDJACIGWSV-UHFFFAOYSA-N 0 1 276.767 3.596 20 0 CHADMN c1nc2cc(Nc3ccc4c[nH]nc4c3)ccc2s1 ZINC001174501890 1132903281 /nfs/dbraw/zinc/90/32/81/1132903281.db2.gz MAVVZZKYUWRWHU-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN COc1ccc(Nc2ccc3c[nH]nc3c2)c(C(C)=O)c1 ZINC001174502404 1132904364 /nfs/dbraw/zinc/90/43/64/1132904364.db2.gz NFBTVNSPNDWGHG-UHFFFAOYSA-N 0 1 281.315 3.518 20 0 CHADMN Cc1nc2cc(Nc3ccc4nc(N)sc4c3)ccc2[nH]1 ZINC001159822112 1132912521 /nfs/dbraw/zinc/91/25/21/1132912521.db2.gz IQSXCGSWHMPOKL-UHFFFAOYSA-N 0 1 295.371 3.807 20 0 CHADMN CCOC(=O)[C@H]1CCC[C@@H]1Nc1nc(C)cc2ccccc21 ZINC001159836521 1132914844 /nfs/dbraw/zinc/91/48/44/1132914844.db2.gz WHMNYWXSGQWOIE-HOTGVXAUSA-N 0 1 298.386 3.687 20 0 CHADMN FC(F)c1cccc(Nc2ccnn2-c2ccncc2)c1 ZINC001174620701 1132929380 /nfs/dbraw/zinc/92/93/80/1132929380.db2.gz CZVNWYNMBJVDQM-UHFFFAOYSA-N 0 1 286.285 3.949 20 0 CHADMN CC(C)(C)OC(=O)Nc1ccc(Nc2ccncc2)cc1 ZINC001160027506 1132936991 /nfs/dbraw/zinc/93/69/91/1132936991.db2.gz CEOQOTBRZLOASO-UHFFFAOYSA-N 0 1 285.347 3.594 20 0 CHADMN CCOc1ccnc(NCC2(c3ccccc3)CC2)c1 ZINC001160262469 1132953669 /nfs/dbraw/zinc/95/36/69/1132953669.db2.gz KCWHRXDULVLWDL-UHFFFAOYSA-N 0 1 268.360 3.624 20 0 CHADMN Cc1c(F)cccc1Nc1ccccc1N1CCN(C)CC1 ZINC001174669441 1132957876 /nfs/dbraw/zinc/95/78/76/1132957876.db2.gz WLIFKXIRQZEIRL-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN Cc1cccc(Nc2cc(Cl)cc3[nH]ncc32)c1N ZINC001160302809 1132958984 /nfs/dbraw/zinc/95/89/84/1132958984.db2.gz LVIWVLMTXJLSOM-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1c(N)cccc1Nc1cc(Cl)cc2[nH]ncc21 ZINC001160310615 1132960108 /nfs/dbraw/zinc/96/01/08/1132960108.db2.gz VYZGLBWRFRUCHP-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1ccc(Nc2cc3cn[nH]c3cc2C)c(N)c1 ZINC001160337908 1132964341 /nfs/dbraw/zinc/96/43/41/1132964341.db2.gz BSAAOJPJGGDXCL-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN C[C@@H]1CN(CC[C@@H]2CCCC2(F)F)C[C@](C)(C(F)F)O1 ZINC001174726029 1132967149 /nfs/dbraw/zinc/96/71/49/1132967149.db2.gz RYDPULFEBDRPNK-NTZNESFSSA-N 0 1 297.336 3.556 20 0 CHADMN FC1(F)CC2(CC(Nc3ccc4c(n3)CCCC4)C2)C1 ZINC001160587857 1132975271 /nfs/dbraw/zinc/97/52/71/1132975271.db2.gz GLBIGIVLRXKOOS-UHFFFAOYSA-N 0 1 278.346 3.950 20 0 CHADMN Cc1cc(C(=O)Nc2ccc(F)c(F)c2O)c(F)cc1F ZINC001161068362 1132992066 /nfs/dbraw/zinc/99/20/66/1132992066.db2.gz ZRWJOVKWCDOATB-UHFFFAOYSA-N 0 1 299.223 3.509 20 0 CHADMN CCC(=O)Nc1cc(N[C@H](C)CCc2ccccc2)ccn1 ZINC001161617056 1133009826 /nfs/dbraw/zinc/00/98/26/1133009826.db2.gz VGVOCZMNSAMJJV-CQSZACIVSA-N 0 1 297.402 3.863 20 0 CHADMN Cc1cnc(N[C@@H](c2cncc(F)c2)C2CC2)c(C)c1 ZINC001161816194 1133031229 /nfs/dbraw/zinc/03/12/29/1133031229.db2.gz YMEPPCLEVYYCKW-OAHLLOKOSA-N 0 1 271.339 3.796 20 0 CHADMN Cc1cnc(NC2(CC3CCC3)CCOCC2)c(C)c1 ZINC001161922488 1133039430 /nfs/dbraw/zinc/03/94/30/1133039430.db2.gz UNHOVBJJSMETRI-UHFFFAOYSA-N 0 1 274.408 3.850 20 0 CHADMN O=C(c1ccc(F)cc1O)N1CCC[C@H](C2CCCC2)C1 ZINC001161909004 1133039806 /nfs/dbraw/zinc/03/98/06/1133039806.db2.gz TXJYJKDIVQQQNC-ZDUSSCGKSA-N 0 1 291.366 3.574 20 0 CHADMN CN(C)Cc1cccc(N[C@@H](c2ccccc2)C2CC2)n1 ZINC001161958851 1133042588 /nfs/dbraw/zinc/04/25/88/1133042588.db2.gz WLOHXOYBDOKRHQ-SFHVURJKSA-N 0 1 281.403 3.706 20 0 CHADMN CC(C)(CNc1nc2[nH]cnc2cc1Cl)CC1CC1 ZINC001162125507 1133052324 /nfs/dbraw/zinc/05/23/24/1133052324.db2.gz HXQYQOMTNWTLNY-UHFFFAOYSA-N 0 1 278.787 3.850 20 0 CHADMN CC(C)(C)N1CC(Nc2ccc3cc(Cl)ccc3n2)C1 ZINC001162220595 1133060942 /nfs/dbraw/zinc/06/09/42/1133060942.db2.gz XRTTXFRYXODFIE-UHFFFAOYSA-N 0 1 289.810 3.783 20 0 CHADMN Cc1c2nc[nH]c2ccc1NC(C)(C)C(=O)c1ccccc1 ZINC001162637626 1133096587 /nfs/dbraw/zinc/09/65/87/1133096587.db2.gz NTFPAJWEBRQGSM-UHFFFAOYSA-N 0 1 293.370 3.945 20 0 CHADMN Cc1cnc(NC[C@@H]2CCC(F)(F)C2)c2[nH]ccc21 ZINC001162646422 1133099558 /nfs/dbraw/zinc/09/95/58/1133099558.db2.gz FPBILEXCEBXCFB-SNVBAGLBSA-N 0 1 265.307 3.719 20 0 CHADMN Cc1cnc(NC[C@H](O)c2cc3ccccc3o2)c(C)c1 ZINC001162695296 1133103610 /nfs/dbraw/zinc/10/36/10/1133103610.db2.gz KPVSJQDTMXHZGK-AWEZNQCLSA-N 0 1 282.343 3.590 20 0 CHADMN c1ccc2c(c1)cncc2CNc1ccc2c(n1)CCC2 ZINC001162748232 1133108808 /nfs/dbraw/zinc/10/88/08/1133108808.db2.gz YSIBCQRXWIJEED-UHFFFAOYSA-N 0 1 275.355 3.731 20 0 CHADMN CCOc1ccnc(N[C@@H]2CCc3sccc32)c1 ZINC001162766798 1133110867 /nfs/dbraw/zinc/11/08/67/1133110867.db2.gz PONFVCCDKCLMOA-GFCCVEGCSA-N 0 1 260.362 3.641 20 0 CHADMN Cc1cnc(N[C@H]2CCCc3cc(F)ccc32)c(N)c1 ZINC001162971599 1133124779 /nfs/dbraw/zinc/12/47/79/1133124779.db2.gz LSKPFBMYVKEVDL-HNNXBMFYSA-N 0 1 271.339 3.601 20 0 CHADMN COc1ccnc(N[C@H]2CCCc3cc(F)ccc32)c1 ZINC001162968422 1133124789 /nfs/dbraw/zinc/12/47/89/1133124789.db2.gz AJEPPHZUNGCQKV-HNNXBMFYSA-N 0 1 272.323 3.719 20 0 CHADMN Cc1cccc2ccnc(NCc3ccc4nccn4c3)c12 ZINC001163141150 1133131162 /nfs/dbraw/zinc/13/11/62/1133131162.db2.gz UNVVWFMJJUXVSG-UHFFFAOYSA-N 0 1 288.354 3.803 20 0 CHADMN CCOc1ccnc(NC(C)(C)c2cc(Cl)ccn2)c1 ZINC001163143800 1133131661 /nfs/dbraw/zinc/13/16/61/1133131661.db2.gz JCDWAJHHXIONST-UHFFFAOYSA-N 0 1 291.782 3.876 20 0 CHADMN Cc1cc2ccccc2c(N[C@@H](C)c2ccno2)n1 ZINC001163212830 1133136639 /nfs/dbraw/zinc/13/66/39/1133136639.db2.gz IXBHPCMRBDYTMP-NSHDSACASA-N 0 1 253.305 3.704 20 0 CHADMN CC(C)c1ccc(N2CCN(C)C[C@H]2c2ccccc2)nc1 ZINC001163671862 1133164770 /nfs/dbraw/zinc/16/47/70/1133164770.db2.gz GPHUGDHSVSKZBH-SFHVURJKSA-N 0 1 295.430 3.698 20 0 CHADMN COc1ccccc1[C@H]1CCN(c2ccc(C)c(C)n2)C1 ZINC001163807487 1133176833 /nfs/dbraw/zinc/17/68/33/1133176833.db2.gz SPHADGALJAHLHZ-HNNXBMFYSA-N 0 1 282.387 3.701 20 0 CHADMN Cc1ccc(C)c(NCc2cc3ccccc3n2C)n1 ZINC001163931395 1133184823 /nfs/dbraw/zinc/18/48/23/1133184823.db2.gz CIMSNLUZPJBWAY-UHFFFAOYSA-N 0 1 265.360 3.802 20 0 CHADMN Cc1ccccc1OCCCNc1ccnc2c1ccn2C ZINC001163975709 1133190409 /nfs/dbraw/zinc/19/04/09/1133190409.db2.gz ZOEUTOWIFAHJJS-UHFFFAOYSA-N 0 1 295.386 3.763 20 0 CHADMN FC(F)(F)[C@@H](Nc1ccc2nc[nH]c2c1)c1cccnc1 ZINC001164184111 1133204940 /nfs/dbraw/zinc/20/49/40/1133204940.db2.gz SWUAWBXBYKMOKU-ZDUSSCGKSA-N 0 1 292.264 3.673 20 0 CHADMN Cc1ccnc(NCCSCc2ccco2)c1C ZINC001164220285 1133207950 /nfs/dbraw/zinc/20/79/50/1133207950.db2.gz LBIJCUPZGNXXMQ-UHFFFAOYSA-N 0 1 262.378 3.637 20 0 CHADMN c1coc(CSCCNc2ccc3nc[nH]c3c2)c1 ZINC001164226668 1133208113 /nfs/dbraw/zinc/20/81/13/1133208113.db2.gz DJGJMJXQJDAVIY-UHFFFAOYSA-N 0 1 273.361 3.501 20 0 CHADMN CCOc1ccnc(N2Cc3ccccc3[C@@H](C)C2)c1 ZINC001165216789 1133230148 /nfs/dbraw/zinc/23/01/48/1133230148.db2.gz DPHFNWSNFZMCDT-ZDUSSCGKSA-N 0 1 268.360 3.604 20 0 CHADMN C[C@H]1CN(c2nc3[nH]cnc3cc2Cl)Cc2ccccc21 ZINC001165217510 1133231626 /nfs/dbraw/zinc/23/16/26/1133231626.db2.gz NKAIVHNNXCOMPF-JTQLQIEISA-N 0 1 298.777 3.735 20 0 CHADMN Cc1cnc(N2CCC3(C=Cc4ccccc43)CC2)c(N)c1 ZINC001165334391 1133240730 /nfs/dbraw/zinc/24/07/30/1133240730.db2.gz DXOJFBBDBJQSJD-UHFFFAOYSA-N 0 1 291.398 3.537 20 0 CHADMN Cc1cn[nH]c1CSc1nc2cc(Cl)ccc2n1C ZINC001165544585 1133244603 /nfs/dbraw/zinc/24/46/03/1133244603.db2.gz BKZUAHRPOULXBK-UHFFFAOYSA-N 0 1 292.795 3.551 20 0 CHADMN CC(=O)[C@@H]1CCCN1Cc1ccc(C(C)(C)C)cc1 ZINC001204398619 1133255776 /nfs/dbraw/zinc/25/57/76/1133255776.db2.gz DJEDWTVBBHOXPX-INIZCTEOSA-N 0 1 259.393 3.538 20 0 CHADMN Cc1cc(C)c(Cn2cnc(-c3ccccc3)c2)c(C)n1 ZINC001166823481 1133291544 /nfs/dbraw/zinc/29/15/44/1133291544.db2.gz UFAZQEMWPLURQQ-UHFFFAOYSA-N 0 1 277.371 3.919 20 0 CHADMN CCC(CC)CN(CC)[C@@H](C(=O)OC)c1ccccc1 ZINC001166997759 1133297539 /nfs/dbraw/zinc/29/75/39/1133297539.db2.gz UIWRNZKSNXIOSX-MRXNPFEDSA-N 0 1 277.408 3.659 20 0 CHADMN C[C@H]1OC2(CCN(Cc3cccn3C)CC2)c2ccccc21 ZINC001203270294 1133308556 /nfs/dbraw/zinc/30/85/56/1133308556.db2.gz HFSAMCFLYHCZES-OAHLLOKOSA-N 0 1 296.414 3.608 20 0 CHADMN Cc1[nH+]c2c(Nc3ccc(C(=O)[O-])cc3F)cccn2c1C ZINC001203288667 1133310146 /nfs/dbraw/zinc/31/01/46/1133310146.db2.gz WZKPUJKBRIJZHG-UHFFFAOYSA-N 0 1 299.305 3.532 20 0 CHADMN Fc1ccc(O[C@@H]2CCN(Cc3ccccc3F)C2)cc1 ZINC001203352707 1133317812 /nfs/dbraw/zinc/31/78/12/1133317812.db2.gz LXCQDDLWEXALSN-MRXNPFEDSA-N 0 1 289.325 3.618 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccc(C(C)=O)n1 ZINC001203524844 1133335200 /nfs/dbraw/zinc/33/52/00/1133335200.db2.gz DHTZYTHROGKKRQ-UHFFFAOYSA-N 0 1 293.326 3.585 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(F)cc1O ZINC001203526131 1133336645 /nfs/dbraw/zinc/33/66/45/1133336645.db2.gz OBWNRBWHFJOZSZ-UHFFFAOYSA-N 0 1 284.290 3.832 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(N)ccc1C ZINC001203527960 1133336838 /nfs/dbraw/zinc/33/68/38/1133336838.db2.gz ISJJYLTXNRUTLD-UHFFFAOYSA-N 0 1 279.343 3.878 20 0 CHADMN COc1ccc2c(c1)nccc2N(C)c1cccc(N)c1 ZINC001203528719 1133337710 /nfs/dbraw/zinc/33/77/10/1133337710.db2.gz VIQMXMHGPNXRTA-UHFFFAOYSA-N 0 1 279.343 3.594 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(F)c(CO)c1 ZINC001203526222 1133337892 /nfs/dbraw/zinc/33/78/92/1133337892.db2.gz QURFBVPDVWVEIE-UHFFFAOYSA-N 0 1 298.317 3.618 20 0 CHADMN CCOc1ccccc1CN1CCc2cc(C)ccc2C1 ZINC001203547700 1133339012 /nfs/dbraw/zinc/33/90/12/1133339012.db2.gz SKFXUNFDVRBHQO-UHFFFAOYSA-N 0 1 281.399 3.952 20 0 CHADMN F[C@H]1C[C@@H]2C[C@H]1CN2Cc1ccccc1C(F)(F)F ZINC001203693659 1133355367 /nfs/dbraw/zinc/35/53/67/1133355367.db2.gz IVCNZDQJAMDIKN-GVXVVHGQSA-N 0 1 273.273 3.638 20 0 CHADMN Cc1ccc(CN2CCC(=O)[C@H]3CCCC[C@H]32)c(C)c1 ZINC001203729541 1133360657 /nfs/dbraw/zinc/36/06/57/1133360657.db2.gz PBVXJGVZULFBKW-DLBZAZTESA-N 0 1 271.404 3.637 20 0 CHADMN COc1ccc(CN2CCc3ccccc3[C@H]2C)cc1F ZINC001203790867 1133369294 /nfs/dbraw/zinc/36/92/94/1133369294.db2.gz WRDCKWSXGYKSBH-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN C[C@@]1(CF)CCN(Cc2ccc(Br)cc2)C1 ZINC001203909604 1133382796 /nfs/dbraw/zinc/38/27/96/1133382796.db2.gz OSLHSXYZMXRJKH-ZDUSSCGKSA-N 0 1 286.188 3.631 20 0 CHADMN Cc1cccc(CNC/C=C/Cl)c1Br ZINC001203960988 1133389719 /nfs/dbraw/zinc/38/97/19/1133389719.db2.gz LMEFYWYEVRTSGY-ZZXKWVIFSA-N 0 1 274.589 3.600 20 0 CHADMN CCCCC1(NCc2nccc(C)c2Br)CC1 ZINC001203995134 1133396467 /nfs/dbraw/zinc/39/64/67/1133396467.db2.gz UVTSSZKNAQFQMN-UHFFFAOYSA-N 0 1 297.240 3.965 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1ccc2c(c1)OCO2 ZINC001204051105 1133403533 /nfs/dbraw/zinc/40/35/33/1133403533.db2.gz HOWSREDJHPYALS-ZDUSSCGKSA-N 0 1 281.355 3.535 20 0 CHADMN c1coc(CN(Cc2c[nH]c3ccccc23)C2CC2)c1 ZINC001204047792 1133404079 /nfs/dbraw/zinc/40/40/79/1133404079.db2.gz GNZAPKWEUPONGW-UHFFFAOYSA-N 0 1 266.344 3.926 20 0 CHADMN CN(Cc1c[nH]c2ccccc12)Cc1ccc(Cl)nc1 ZINC001204048686 1133404159 /nfs/dbraw/zinc/40/41/59/1133404159.db2.gz ONSWPMBMKJJKBE-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN C[C@@H](NCc1ccncc1Cl)c1cccs1 ZINC000084084774 1133406446 /nfs/dbraw/zinc/40/64/46/1133406446.db2.gz BRZLSEGWIJAFTI-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN CSc1ccc(CN2CC[C@@H](F)C(F)(F)CC2)cc1 ZINC001204139623 1133407750 /nfs/dbraw/zinc/40/77/50/1133407750.db2.gz NBAJWCZIGGMSAJ-CYBMUJFWSA-N 0 1 289.366 3.978 20 0 CHADMN CCOc1cc(CN2CCc3ccc(C)cc3C2)ccc1O ZINC001204127960 1133408485 /nfs/dbraw/zinc/40/84/85/1133408485.db2.gz PWQLQVLXNUHNFO-UHFFFAOYSA-N 0 1 297.398 3.658 20 0 CHADMN CSc1ccc(CN(C)C2CC(F)(F)C2)cc1 ZINC001204139504 1133410609 /nfs/dbraw/zinc/41/06/09/1133410609.db2.gz IXXZYLOLIVQDGX-UHFFFAOYSA-N 0 1 257.349 3.638 20 0 CHADMN C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001204158175 1133412181 /nfs/dbraw/zinc/41/21/81/1133412181.db2.gz LVNDRBDEBQJBDP-GWCFXTLKSA-N 0 1 275.289 3.885 20 0 CHADMN CC(C)c1ccc(CN2CCC[C@@H]2c2cnccn2)cc1 ZINC001204166555 1133413291 /nfs/dbraw/zinc/41/32/91/1133413291.db2.gz XQXSPCRLFKYCQE-GOSISDBHSA-N 0 1 281.403 3.937 20 0 CHADMN CC1(C)OCCC12CCN(Cc1c(F)cccc1F)CC2 ZINC001204207868 1133419630 /nfs/dbraw/zinc/41/96/30/1133419630.db2.gz PUCSURTVBQDWIR-UHFFFAOYSA-N 0 1 295.373 3.746 20 0 CHADMN COc1cccc(OC)c1CN(C)[C@H]1CCc2ccccc21 ZINC001204254004 1133425894 /nfs/dbraw/zinc/42/58/94/1133425894.db2.gz OHTFCZVYNOMXPN-KRWDZBQOSA-N 0 1 297.398 3.823 20 0 CHADMN COc1ccc(CN2CC3(C2)CCCCC3)c(OC)c1C ZINC001204262821 1133427748 /nfs/dbraw/zinc/42/77/48/1133427748.db2.gz FOROLZLWOPSIAT-UHFFFAOYSA-N 0 1 289.419 3.778 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1ccnc(OC)c1F ZINC001204286802 1133428561 /nfs/dbraw/zinc/42/85/61/1133428561.db2.gz DKZWXBWWUDGUOP-CQSZACIVSA-N 0 1 280.387 3.774 20 0 CHADMN Cc1[nH]c2ccccc2c1CN1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001204291315 1133429998 /nfs/dbraw/zinc/42/99/98/1133429998.db2.gz JDWMRIIZNOSEGW-CRAIPNDOSA-N 0 1 296.414 3.810 20 0 CHADMN CC[C@H]1CCCCCN1Cc1c(F)ccc(O)c1F ZINC001204298495 1133432050 /nfs/dbraw/zinc/43/20/50/1133432050.db2.gz GVNAZWACOPCRFH-NSHDSACASA-N 0 1 269.335 3.825 20 0 CHADMN Cn1cc(CN2CCc3c(F)cccc3C2)c2ccccc21 ZINC001204319086 1133436425 /nfs/dbraw/zinc/43/64/25/1133436425.db2.gz HGHGOMLNNFPVLZ-UHFFFAOYSA-N 0 1 294.373 3.876 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2cc(C)nc(C)c2)n1 ZINC001204348082 1133438463 /nfs/dbraw/zinc/43/84/63/1133438463.db2.gz OVVWHAIAHMBWGS-GOSISDBHSA-N 0 1 281.403 3.739 20 0 CHADMN C[C@@H]1CCN1Cc1ccccc1OCc1ccccc1 ZINC001204331728 1133438605 /nfs/dbraw/zinc/43/86/05/1133438605.db2.gz XRETXVONALGTOR-OAHLLOKOSA-N 0 1 267.372 3.860 20 0 CHADMN CCOc1ccc(CN2CCCC[C@](C)(F)C2)cc1OC ZINC001204358207 1133440181 /nfs/dbraw/zinc/44/01/81/1133440181.db2.gz IVZXLCJVOWBVNZ-KRWDZBQOSA-N 0 1 295.398 3.808 20 0 CHADMN CCN(Cc1ccc(OC(F)F)cc1)Cc1cccnc1 ZINC001204421705 1133444709 /nfs/dbraw/zinc/44/47/09/1133444709.db2.gz GMGQECNHWMEBOC-UHFFFAOYSA-N 0 1 292.329 3.705 20 0 CHADMN C[C@@H]1CCCCN1Cc1ccccc1OC(F)(F)F ZINC001204423588 1133445902 /nfs/dbraw/zinc/44/59/02/1133445902.db2.gz JSHFHCDYKNKPDR-LLVKDONJSA-N 0 1 273.298 3.960 20 0 CHADMN COc1ccc2cc(CN3C[C@@H](C)[C@@H](F)C3)ccc2c1 ZINC001204515474 1133455960 /nfs/dbraw/zinc/45/59/60/1133455960.db2.gz IGLDZIXCNYEQGY-PXAZEXFGSA-N 0 1 273.351 3.638 20 0 CHADMN COc1ccc2cc(CN3CCC[C@@H](F)C3)ccc2c1 ZINC001204514816 1133456063 /nfs/dbraw/zinc/45/60/63/1133456063.db2.gz RRWINXVPPREIAQ-MRXNPFEDSA-N 0 1 273.351 3.782 20 0 CHADMN Cc1cc(CN2CCOC[C@H]2C2CCCCC2)oc1C ZINC001204539880 1133460111 /nfs/dbraw/zinc/46/01/11/1133460111.db2.gz RZDAPYFAIVYTLE-KRWDZBQOSA-N 0 1 277.408 3.678 20 0 CHADMN CN(Cc1nccs1)C(C)(C)Cc1ccccc1 ZINC001204549808 1133461731 /nfs/dbraw/zinc/46/17/31/1133461731.db2.gz LQMBADVEMPTZHY-UHFFFAOYSA-N 0 1 260.406 3.596 20 0 CHADMN CC(C)n1nccc1CN(C)[C@H](C)Cc1ccsc1 ZINC001204550850 1133461787 /nfs/dbraw/zinc/46/17/87/1133461787.db2.gz JCCVSDYHGRQYEX-CYBMUJFWSA-N 0 1 277.437 3.589 20 0 CHADMN Cc1c(C[N@H+]2CCCC[C@H]2c2ccccc2F)cnn1C ZINC001204570241 1133464652 /nfs/dbraw/zinc/46/46/52/1133464652.db2.gz HLZXHEXGUHBUSG-KRWDZBQOSA-N 0 1 287.382 3.595 20 0 CHADMN Cc1c(CN2CCCC[C@H]2c2ccccc2F)cnn1C ZINC001204570241 1133464653 /nfs/dbraw/zinc/46/46/53/1133464653.db2.gz HLZXHEXGUHBUSG-KRWDZBQOSA-N 0 1 287.382 3.595 20 0 CHADMN c1cc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)n(C2CCC2)n1 ZINC001204585482 1133464680 /nfs/dbraw/zinc/46/46/80/1133464680.db2.gz RTYUMSKSVMZHCI-QGZVFWFLSA-N 0 1 295.430 3.673 20 0 CHADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(O)c(F)c1 ZINC001204614516 1133468029 /nfs/dbraw/zinc/46/80/29/1133468029.db2.gz CDRHECRBKVVIOW-INIZCTEOSA-N 0 1 287.378 3.984 20 0 CHADMN CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc([O-])c(F)c1 ZINC001204614516 1133468031 /nfs/dbraw/zinc/46/80/31/1133468031.db2.gz CDRHECRBKVVIOW-INIZCTEOSA-N 0 1 287.378 3.984 20 0 CHADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc([O-])c(F)c1 ZINC001204614516 1133468036 /nfs/dbraw/zinc/46/80/36/1133468036.db2.gz CDRHECRBKVVIOW-INIZCTEOSA-N 0 1 287.378 3.984 20 0 CHADMN Cc1c(Cl)ccc(CN2CCc3cn[nH]c3C2)c1Cl ZINC001204690867 1133476749 /nfs/dbraw/zinc/47/67/49/1133476749.db2.gz ZYOLNMAKAWMFPT-UHFFFAOYSA-N 0 1 296.201 3.583 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(F)(F)F)nc2Cl)C[C@H]1C ZINC001204770087 1133483400 /nfs/dbraw/zinc/48/34/00/1133483400.db2.gz YNFVRYLYBABBHH-RKDXNWHRSA-N 0 1 292.732 3.842 20 0 CHADMN C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1ccc([O-])c(F)c1 ZINC001204777689 1133484228 /nfs/dbraw/zinc/48/42/28/1133484228.db2.gz XJXZHMCVQGNQHO-NWDGAFQWSA-N 0 1 251.345 3.542 20 0 CHADMN C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1ccc([O-])c(F)c1 ZINC001204777689 1133484232 /nfs/dbraw/zinc/48/42/32/1133484232.db2.gz XJXZHMCVQGNQHO-NWDGAFQWSA-N 0 1 251.345 3.542 20 0 CHADMN C[C@]1(CN2CCc3ccc(Cl)cc3C2)CCCCO1 ZINC001204796426 1133486520 /nfs/dbraw/zinc/48/65/20/1133486520.db2.gz PBWLAPWPXXIKHY-MRXNPFEDSA-N 0 1 279.811 3.657 20 0 CHADMN CC(C)C[C@H](C)CN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001204834106 1133490179 /nfs/dbraw/zinc/49/01/79/1133490179.db2.gz URGXFOCCUQQTKL-WMLDXEAASA-N 0 1 279.399 3.881 20 0 CHADMN CN[C@H](c1nc(-c2ccc3ccccc3n2)no1)C(C)(C)C ZINC001204895517 1133497050 /nfs/dbraw/zinc/49/70/50/1133497050.db2.gz RWLXPWAPQFJGPV-CQSZACIVSA-N 0 1 296.374 3.591 20 0 CHADMN CN[C@H](c1nc(-c2cc(F)c(C)cc2F)no1)C(C)(C)C ZINC001204895948 1133497394 /nfs/dbraw/zinc/49/73/94/1133497394.db2.gz ZQWOSTZZFKYMDR-GFCCVEGCSA-N 0 1 295.333 3.630 20 0 CHADMN CC[C@H](C)[C@H](CN1C[C@@H](c2ccccc2)O[C@@H](C)C1)OC ZINC001204899199 1133497538 /nfs/dbraw/zinc/49/75/38/1133497538.db2.gz PFYWFBKWPZQYRN-LAQRGFTBSA-N 0 1 291.435 3.510 20 0 CHADMN C[C@@H]1CCN(Cc2cc3c(cccc3O)s2)C[C@@H]1F ZINC001204985629 1133513099 /nfs/dbraw/zinc/51/30/99/1133513099.db2.gz YHXDPPOCTLDHNG-MFKMUULPSA-N 0 1 279.380 3.787 20 0 CHADMN CCOc1cncc(CN(C)[C@@H](C)c2ccc(C)cc2)c1 ZINC001205077139 1133524301 /nfs/dbraw/zinc/52/43/01/1133524301.db2.gz HSXCMIHXCDSRTJ-HNNXBMFYSA-N 0 1 284.403 3.982 20 0 CHADMN CC1CCN(Cc2cc(Cl)cc3c2OCC3)CC1 ZINC001205101565 1133530388 /nfs/dbraw/zinc/53/03/88/1133530388.db2.gz SZUBXTISRJNLKP-UHFFFAOYSA-N 0 1 265.784 3.507 20 0 CHADMN Cc1cc(CN2CCN(C)C[C@@H]2c2ccccc2)ccc1F ZINC001205155346 1133537091 /nfs/dbraw/zinc/53/70/91/1133537091.db2.gz ZNIIZOYXXCOLNK-LJQANCHMSA-N 0 1 298.405 3.623 20 0 CHADMN F[C@@H]1CN(Cc2cccc3[nH]ccc32)CCCC1(F)F ZINC001205255699 1133550804 /nfs/dbraw/zinc/55/08/04/1133550804.db2.gz KCPFISWIWGSPNW-CQSZACIVSA-N 0 1 282.309 3.737 20 0 CHADMN CC(C)CC[C@H](C)NCc1nc(-c2ccccc2)no1 ZINC001205298523 1133556821 /nfs/dbraw/zinc/55/68/21/1133556821.db2.gz DOTMWWVBHJEWFU-ZDUSSCGKSA-N 0 1 273.380 3.651 20 0 CHADMN CN(C)Cc1cc(NC[C@@]2(C)CCCCO2)ccc1Cl ZINC001205547571 1133587217 /nfs/dbraw/zinc/58/72/17/1133587217.db2.gz DXEJZIHETNIAKT-MRXNPFEDSA-N 0 1 296.842 3.773 20 0 CHADMN C[C@H](c1ccccn1)[N@H+]1CC[C@@H](OCC2CCCCC2)C1 ZINC001205580028 1133590488 /nfs/dbraw/zinc/59/04/88/1133590488.db2.gz TXMJHEVDBOGWJZ-NVXWUHKLSA-N 0 1 288.435 3.814 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@](CF)(C(F)(F)F)C2)c1 ZINC001205617527 1133596700 /nfs/dbraw/zinc/59/67/00/1133596700.db2.gz ZLOYFHLQPXVIEU-ZDUSSCGKSA-N 0 1 293.279 3.858 20 0 CHADMN CC(C)Cn1nccc1C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC001205639817 1133597292 /nfs/dbraw/zinc/59/72/92/1133597292.db2.gz MTOQARSLCFNKHB-AWEZNQCLSA-N 0 1 263.429 3.550 20 0 CHADMN Clc1cccc(CC2CCN(Cc3cnoc3)CC2)c1 ZINC001205677051 1133602105 /nfs/dbraw/zinc/60/21/05/1133602105.db2.gz ATEOHCMCQWNYSH-UHFFFAOYSA-N 0 1 290.794 3.783 20 0 CHADMN Cc1ccccc1OC1CCN(Cc2ncccc2C)CC1 ZINC001205763980 1133609945 /nfs/dbraw/zinc/60/99/45/1133609945.db2.gz WMWZVQVFUXRMBI-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN Cc1[nH]nc(CN2CC[C@@H](C)Sc3ccccc32)c1C ZINC001205774096 1133612524 /nfs/dbraw/zinc/61/25/24/1133612524.db2.gz YBGNQDUXHCAZIP-LLVKDONJSA-N 0 1 287.432 3.917 20 0 CHADMN CC(C)C[C@]1(C)CCCN1Cc1cc(C(F)(F)F)n[nH]1 ZINC001205908165 1133628741 /nfs/dbraw/zinc/62/87/41/1133628741.db2.gz PCMBVULXIMVOQP-ZDUSSCGKSA-N 0 1 289.345 3.829 20 0 CHADMN C[C@H]1CCCN(Cc2cccc(Br)n2)C[C@H]1C ZINC001205941136 1133633182 /nfs/dbraw/zinc/63/31/82/1133633182.db2.gz LMAHOWIOWXOEBY-NWDGAFQWSA-N 0 1 297.240 3.712 20 0 CHADMN Cc1ccoc1CN(C)Cc1ccc2scnc2c1 ZINC001205998325 1133639777 /nfs/dbraw/zinc/63/97/77/1133639777.db2.gz LBRCSTKOLALXKD-UHFFFAOYSA-N 0 1 272.373 3.830 20 0 CHADMN C[C@@H]1CN(Cc2cc(Cl)ccc2F)C2(CC2)C1 ZINC001206034916 1133646609 /nfs/dbraw/zinc/64/66/09/1133646609.db2.gz MFRCYRUIPFCUAE-JTQLQIEISA-N 0 1 253.748 3.854 20 0 CHADMN CCOC1CC(N(C)Cc2c(Cl)cccc2CC)C1 ZINC001206054888 1133650670 /nfs/dbraw/zinc/65/06/70/1133650670.db2.gz IHGGFJYPQAAVRU-UHFFFAOYSA-N 0 1 281.827 3.902 20 0 CHADMN C[C@H]1CN(Cc2cncc(Br)c2)CCC[C@@H]1C ZINC001206098653 1133657025 /nfs/dbraw/zinc/65/70/25/1133657025.db2.gz OWZFQMRCBGFRFZ-RYUDHWBXSA-N 0 1 297.240 3.712 20 0 CHADMN COCCN(C)Cc1ccnc(/C=C/c2ccc(C)cc2)c1 ZINC001206153823 1133664837 /nfs/dbraw/zinc/66/48/37/1133664837.db2.gz YVBMZJLPFAREPR-CMDGGOBGSA-N 0 1 296.414 3.639 20 0 CHADMN Fc1cc(-c2ccc(C3=NCCC3)cc2)cc2n[nH]cc21 ZINC001206571313 1133719604 /nfs/dbraw/zinc/71/96/04/1133719604.db2.gz CJCLFOHHKCFTJT-UHFFFAOYSA-N 0 1 279.318 3.952 20 0 CHADMN CCCOc1ccc(F)c(-c2nccc3nc[nH]c32)c1F ZINC001206714659 1133734357 /nfs/dbraw/zinc/73/43/57/1133734357.db2.gz AASLCYGUXVKISY-UHFFFAOYSA-N 0 1 289.285 3.692 20 0 CHADMN CCCOc1ccc(F)c(-c2ccc3nn[nH]c3c2)c1F ZINC001206739019 1133739066 /nfs/dbraw/zinc/73/90/66/1133739066.db2.gz SILMQNNFSXJXQN-UHFFFAOYSA-N 0 1 289.285 3.692 20 0 CHADMN CC(C)Oc1ccnc(-c2cc(F)c(O)cc2F)c1 ZINC001206760691 1133742943 /nfs/dbraw/zinc/74/29/43/1133742943.db2.gz BTKVUPOSJWJVLN-UHFFFAOYSA-N 0 1 265.259 3.520 20 0 CHADMN COc1cc(C)ccc1CN(C)Cc1ccc(C)cc1 ZINC001206762979 1133744500 /nfs/dbraw/zinc/74/45/00/1133744500.db2.gz RXXZWEIWXUVSTG-UHFFFAOYSA-N 0 1 269.388 3.944 20 0 CHADMN Cc1cc(CN2CCC3(CCc4ccc(C)cc43)CC2)no1 ZINC001206816715 1133751175 /nfs/dbraw/zinc/75/11/75/1133751175.db2.gz CBPHUHHLOVOMFO-UHFFFAOYSA-N 0 1 296.414 3.771 20 0 CHADMN Cc1cc(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)no1 ZINC001206820635 1133752375 /nfs/dbraw/zinc/75/23/75/1133752375.db2.gz KURFFTSPDRPLHQ-HNNXBMFYSA-N 0 1 288.366 3.577 20 0 CHADMN c1c(CN2CC3CCC2CC3)noc1-c1ccccc1 ZINC001206845968 1133755081 /nfs/dbraw/zinc/75/50/81/1133755081.db2.gz JLRRTQKFCBPEGP-UHFFFAOYSA-N 0 1 268.360 3.716 20 0 CHADMN Fc1cncc(F)c1CN1CCC[C@H]2CCCC[C@@H]21 ZINC001206860920 1133756427 /nfs/dbraw/zinc/75/64/27/1133756427.db2.gz CFNJUEGKJRVVDQ-ABAIWWIYSA-N 0 1 266.335 3.514 20 0 CHADMN O=c1cccc(C[N@H+]2CCCC[C@@H]2c2ccccc2)[nH]1 ZINC001207065145 1133764732 /nfs/dbraw/zinc/76/47/32/1133764732.db2.gz JBCWHFXESXDYKP-MRXNPFEDSA-N 0 1 268.360 3.514 20 0 CHADMN CCCCN(Cc1ccccc1)Cc1cnc(C)cn1 ZINC001207077348 1133766029 /nfs/dbraw/zinc/76/60/29/1133766029.db2.gz JGDBTUVGROPXJZ-UHFFFAOYSA-N 0 1 269.392 3.587 20 0 CHADMN O=c1cccc(CN(Cc2ccccn2)C2CCCCC2)[nH]1 ZINC001207073951 1133766402 /nfs/dbraw/zinc/76/64/02/1133766402.db2.gz PBDMQRMRYHUBAJ-UHFFFAOYSA-N 0 1 297.402 3.517 20 0 CHADMN CN(Cc1c(F)cccc1OC(F)F)CC1CCC1 ZINC001207112209 1133768228 /nfs/dbraw/zinc/76/82/28/1133768228.db2.gz IHLAYPDZVQCHDV-UHFFFAOYSA-N 0 1 273.298 3.659 20 0 CHADMN Cc1noc(C)c1CN1CCC[C@H]1c1ccccc1F ZINC001207137663 1133771561 /nfs/dbraw/zinc/77/15/61/1133771561.db2.gz MBVDKRWULZAAAU-INIZCTEOSA-N 0 1 274.339 3.768 20 0 CHADMN Cc1cncc(CN2CCC(Sc3ccncc3)CC2)c1 ZINC001207160856 1133774583 /nfs/dbraw/zinc/77/45/83/1133774583.db2.gz LSXLYGZGWYFMCE-UHFFFAOYSA-N 0 1 299.443 3.542 20 0 CHADMN CCCOC1CN(C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001207189288 1133777009 /nfs/dbraw/zinc/77/70/09/1133777009.db2.gz ASOIHPUZMUXRAQ-BBRMVZONSA-N 0 1 279.811 3.554 20 0 CHADMN CCCOC1CN(C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001207189293 1133777258 /nfs/dbraw/zinc/77/72/58/1133777258.db2.gz ASOIHPUZMUXRAQ-CZUORRHYSA-N 0 1 279.811 3.554 20 0 CHADMN COC[C@@H](CC(C)(C)C)N[C@@H](CF)c1ccc(F)cc1 ZINC001207224949 1133779729 /nfs/dbraw/zinc/77/97/29/1133779729.db2.gz CBQDAXBKIMBSCZ-CABCVRRESA-N 0 1 285.378 3.877 20 0 CHADMN COC[C@@H](CC(C)(C)C)N[C@H](CF)c1ccc(F)cc1 ZINC001207224951 1133779783 /nfs/dbraw/zinc/77/97/83/1133779783.db2.gz CBQDAXBKIMBSCZ-HUUCEWRRSA-N 0 1 285.378 3.877 20 0 CHADMN CC[C@H]1CCCN1CCc1c(Cl)nc(C)nc1Cl ZINC001207338117 1133792811 /nfs/dbraw/zinc/79/28/11/1133792811.db2.gz UHXQVGVYDKKZGH-JTQLQIEISA-N 0 1 288.222 3.509 20 0 CHADMN Cc1ccc(CN2CC(CC3CCOCC3)C2)cc1Cl ZINC001207348150 1133793001 /nfs/dbraw/zinc/79/30/01/1133793001.db2.gz KXBSJSXBOOIYPC-UHFFFAOYSA-N 0 1 293.838 3.897 20 0 CHADMN C[C@H]1C[C@@H](CF)N(CCc2cccc(Cl)c2)C1 ZINC001207421280 1133799552 /nfs/dbraw/zinc/79/95/52/1133799552.db2.gz RXKSWSORPAYQRC-FZMZJTMJSA-N 0 1 255.764 3.562 20 0 CHADMN Fc1ccc(CC[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC001207517079 1133812410 /nfs/dbraw/zinc/81/24/10/1133812410.db2.gz LVZCNXTUNJORLA-UHFFFAOYSA-N 0 1 273.326 3.566 20 0 CHADMN COC1(C)CN(CC(c2ccccc2)c2ccccc2)C1 ZINC001207522488 1133814442 /nfs/dbraw/zinc/81/44/42/1133814442.db2.gz HWCTYKFZVTZJBF-UHFFFAOYSA-N 0 1 281.399 3.539 20 0 CHADMN F[C@@H]1COc2ccccc2[C@@H]1NC[C@@H]1CCc2ccccc21 ZINC001207535786 1133817163 /nfs/dbraw/zinc/81/71/63/1133817163.db2.gz MPIFGNSZNYUULI-YJLNNSPDSA-N 0 1 297.373 3.778 20 0 CHADMN COc1cccc(CCCN2Cc3ccc(F)cc3C2)c1 ZINC001207568474 1133819357 /nfs/dbraw/zinc/81/93/57/1133819357.db2.gz NCPNOFRNFWXPJU-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN Fc1cccc(CCCN2CCCC(F)(F)[C@@H](F)C2)c1 ZINC001207599793 1133825942 /nfs/dbraw/zinc/82/59/42/1133825942.db2.gz YDQHHNIZLYQYJR-AWEZNQCLSA-N 0 1 289.316 3.828 20 0 CHADMN CCN(CCCCc1ccccc1)CC(=O)OC(C)(C)C ZINC001207616527 1133832422 /nfs/dbraw/zinc/83/24/22/1133832422.db2.gz CGDYBAVNMJSHFW-UHFFFAOYSA-N 0 1 291.435 3.673 20 0 CHADMN C[C@@H](CCCC(C)(C)O)CCN1CCn2cccc2[C@H]1C ZINC001207679224 1133837979 /nfs/dbraw/zinc/83/79/79/1133837979.db2.gz WIISATOOCXBLGM-JKSUJKDBSA-N 0 1 292.467 3.832 20 0 CHADMN CC(C)[N@H+](CC(=O)c1ccccc1)CC1CCSCC1 ZINC001207755348 1133845155 /nfs/dbraw/zinc/84/51/55/1133845155.db2.gz KBLJDCXSIXSITA-UHFFFAOYSA-N 0 1 291.460 3.723 20 0 CHADMN c1ccc([C@H]2CN(CC3(c4ccccc4)CC3)CCO2)cc1 ZINC001207838806 1133852023 /nfs/dbraw/zinc/85/20/23/1133852023.db2.gz TUPAQJCRSMYSCH-LJQANCHMSA-N 0 1 293.410 3.792 20 0 CHADMN C[C@H](CN1CC[C@](C)(F)[C@@H](F)C1)c1ccccc1 ZINC001207903658 1133859713 /nfs/dbraw/zinc/85/97/13/1133859713.db2.gz PODAUIMZSZZQEU-SNPRPXQTSA-N 0 1 253.336 3.562 20 0 CHADMN CCOC(=O)CN(C[C@@H](C)c1ccccc1)C1CCCC1 ZINC001207913752 1133860559 /nfs/dbraw/zinc/86/05/59/1133860559.db2.gz OAKTWAHIJSAQOX-OAHLLOKOSA-N 0 1 289.419 3.598 20 0 CHADMN Cc1ccc(CCCN2CCC[C@H]2c2nccs2)o1 ZINC001207952416 1133870226 /nfs/dbraw/zinc/87/02/26/1133870226.db2.gz UZXPUNFCUPDGIJ-AWEZNQCLSA-N 0 1 276.405 3.814 20 0 CHADMN CC1=C[C@@H](C)[C@H](CN(C)[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC001208183191 1133900192 /nfs/dbraw/zinc/90/01/92/1133900192.db2.gz XNDTWICUDRRWOU-ILXRZTDVSA-N 0 1 281.440 3.641 20 0 CHADMN CC1=C[C@H](C)[C@@H](CN(C)[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC001208183209 1133901139 /nfs/dbraw/zinc/90/11/39/1133901139.db2.gz XNDTWICUDRRWOU-SOUVJXGZSA-N 0 1 281.440 3.641 20 0 CHADMN CO[C@@H]1CN(C[C@@H](C)c2cccc3ccccc32)C[C@@H]1F ZINC001208707271 1133932832 /nfs/dbraw/zinc/93/28/32/1133932832.db2.gz RIZTYTPYKZMJGT-JEBQAFNWSA-N 0 1 287.378 3.612 20 0 CHADMN C[C@H](CN1CCC(=O)[C@H](C)C1)c1cccc2ccccc21 ZINC001208707303 1133933588 /nfs/dbraw/zinc/93/35/88/1133933588.db2.gz RMPCMCJSHRFVNC-HUUCEWRRSA-N 0 1 281.399 3.854 20 0 CHADMN CC/C=C\CCN1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001208729635 1133936331 /nfs/dbraw/zinc/93/63/31/1133936331.db2.gz FWWPIACDEWVGAE-VGOKWCNXSA-N 0 1 277.383 3.729 20 0 CHADMN C[C@]1(F)CCN(CCCc2ccc(F)cc2)C[C@H]1F ZINC001208769369 1133941649 /nfs/dbraw/zinc/94/16/49/1133941649.db2.gz WGXHQTVVHNBGHR-CABCVRRESA-N 0 1 271.326 3.530 20 0 CHADMN CC(C)OC1CN(CC2(c3ccccc3)CCCC2)C1 ZINC001208779764 1133945355 /nfs/dbraw/zinc/94/53/55/1133945355.db2.gz LTCOQXIEBGICNH-UHFFFAOYSA-N 0 1 273.420 3.608 20 0 CHADMN FC(F)(F)c1ccccc1CCCN1CCOCC12CC2 ZINC001208834122 1133947755 /nfs/dbraw/zinc/94/77/55/1133947755.db2.gz CPNOBPWJYZHNDG-UHFFFAOYSA-N 0 1 299.336 3.503 20 0 CHADMN CN1CC=C(Nc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC001208844578 1133951567 /nfs/dbraw/zinc/95/15/67/1133951567.db2.gz QYHXHJDUYOCXCM-UHFFFAOYSA-N 0 1 292.382 3.549 20 0 CHADMN CCOC(C)(C)CN(C)Cc1ccccc1Cl ZINC001209073931 1133972287 /nfs/dbraw/zinc/97/22/87/1133972287.db2.gz BJRWMZQILLOSKF-UHFFFAOYSA-N 0 1 255.789 3.587 20 0 CHADMN CO[C@H]1CCCN(CCc2c(Cl)cccc2Cl)C1 ZINC001209106847 1133975479 /nfs/dbraw/zinc/97/54/79/1133975479.db2.gz VYBLNKCNGHHDLQ-NSHDSACASA-N 0 1 288.218 3.647 20 0 CHADMN FC(F)(F)c1ccc(CCN2CCn3cccc3C2)cc1 ZINC001209129469 1133979659 /nfs/dbraw/zinc/97/96/59/1133979659.db2.gz SDUHAYMIYDYQKU-UHFFFAOYSA-N 0 1 294.320 3.565 20 0 CHADMN CC(C)N(CCCc1cccnc1)CC(=O)c1ccccc1 ZINC001209181570 1133985597 /nfs/dbraw/zinc/98/55/97/1133985597.db2.gz BOMYBALMZIRTRS-UHFFFAOYSA-N 0 1 296.414 3.608 20 0 CHADMN c1ccc(CCCCCN2CC3(C2)CCCCO3)cc1 ZINC001209227315 1133991348 /nfs/dbraw/zinc/99/13/48/1133991348.db2.gz GSUHHKLPXQKJNY-UHFFFAOYSA-N 0 1 273.420 3.654 20 0 CHADMN C[C@]1(F)CCCCN(CCc2ccc(F)c(F)c2)C1 ZINC001209240253 1133996517 /nfs/dbraw/zinc/99/65/17/1133996517.db2.gz TVWNPPCDOIKVBH-HNNXBMFYSA-N 0 1 271.326 3.721 20 0 CHADMN Fc1cc(F)c(CCN2CCc3ccccc3C2)cc1F ZINC001209247890 1133996830 /nfs/dbraw/zinc/99/68/30/1133996830.db2.gz RPIGYGDCOHFCHQ-UHFFFAOYSA-N 0 1 291.316 3.705 20 0 CHADMN C[C@@H]1C[C@@H](CN2CCc3c4ccccc4oc3C2)C[C@H](C)O1 ZINC001209398307 1134011213 /nfs/dbraw/zinc/01/12/13/1134011213.db2.gz NLBCHMFGOHQMBB-QDMKHBRRSA-N 0 1 299.414 3.995 20 0 CHADMN Cc1cccc2c(CN3CC[C@](C)(F)[C@@H](F)C3)c[nH]c21 ZINC001209481515 1134025802 /nfs/dbraw/zinc/02/58/02/1134025802.db2.gz ALECSVQPIRQBLS-HOCLYGCPSA-N 0 1 278.346 3.748 20 0 CHADMN Cc1ccc2[nH]cc(CN3CC[C@@](C)(F)[C@H](F)C3)c2c1 ZINC001209490853 1134028818 /nfs/dbraw/zinc/02/88/18/1134028818.db2.gz KDVAADKJIPRDGY-HZPDHXFCSA-N 0 1 278.346 3.748 20 0 CHADMN Cc1cccc2c(CN3CCc4occc4C3)c[nH]c21 ZINC001209495135 1134029390 /nfs/dbraw/zinc/02/93/90/1134029390.db2.gz RQASFEBTMUJDRM-UHFFFAOYSA-N 0 1 266.344 3.628 20 0 CHADMN Cc1cccc(CN(C)Cc2c3ccccc3nn2C)c1 ZINC001209536705 1134034503 /nfs/dbraw/zinc/03/45/03/1134034503.db2.gz DYBZCUYHHYIYEL-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2c(C)[nH]c3ncccc23)no1 ZINC001209587845 1134039226 /nfs/dbraw/zinc/03/92/26/1134039226.db2.gz ZELLZEBCXKDQLJ-INIZCTEOSA-N 0 1 296.374 3.505 20 0 CHADMN FC(F)[C@H]1CCCN(Cc2c[nH]c3ncc(Cl)cc23)C1 ZINC001209597674 1134041164 /nfs/dbraw/zinc/04/11/64/1134041164.db2.gz XLQYVCUPPQNXOK-VIFPVBQESA-N 0 1 299.752 3.693 20 0 CHADMN CN(Cc1ccccn1)Cc1cccc2[nH]cc(Cl)c21 ZINC001209653384 1134047595 /nfs/dbraw/zinc/04/75/95/1134047595.db2.gz RFUHJOYKBILYGD-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CC1(C)CCC[N@H+]1Cc1n[nH]c2ccc(Cl)cc21 ZINC001209751636 1134056686 /nfs/dbraw/zinc/05/66/86/1134056686.db2.gz TYVFHTSKMJROTC-UHFFFAOYSA-N 0 1 263.772 3.591 20 0 CHADMN CC1(C)CCC[N@@H+]1Cc1n[nH]c2ccc(Cl)cc21 ZINC001209751636 1134056678 /nfs/dbraw/zinc/05/66/78/1134056678.db2.gz TYVFHTSKMJROTC-UHFFFAOYSA-N 0 1 263.772 3.591 20 0 CHADMN C[C@@H]1CCCCN1Cc1n[nH]c2ccc(Cl)cc21 ZINC001209750583 1134057248 /nfs/dbraw/zinc/05/72/48/1134057248.db2.gz JLEHPVBXYFKFAX-SNVBAGLBSA-N 0 1 263.772 3.591 20 0 CHADMN C[C@@H]1CCCCN1Cc1[nH]nc2ccc(Cl)cc21 ZINC001209750583 1134057255 /nfs/dbraw/zinc/05/72/55/1134057255.db2.gz JLEHPVBXYFKFAX-SNVBAGLBSA-N 0 1 263.772 3.591 20 0 CHADMN CCC1CCN(Cc2[nH]nc3ccc(Cl)cc32)CC1 ZINC001209753607 1134059190 /nfs/dbraw/zinc/05/91/90/1134059190.db2.gz VNEZGBXGOJLVCS-UHFFFAOYSA-N 0 1 277.799 3.838 20 0 CHADMN COc1ccc2oc(CN(C)Cc3ccc(C)nc3)cc2c1 ZINC001209772778 1134062918 /nfs/dbraw/zinc/06/29/18/1134062918.db2.gz FFPNFEQKAIWWPG-UHFFFAOYSA-N 0 1 296.370 3.777 20 0 CHADMN COc1ccc2oc(CN(C)Cc3cccnc3C)cc2c1 ZINC001209772938 1134063613 /nfs/dbraw/zinc/06/36/13/1134063613.db2.gz GAPYPAPGRYSIDO-UHFFFAOYSA-N 0 1 296.370 3.777 20 0 CHADMN c1coc(-c2cc(Nc3ccc4nc[nH]c4c3)on2)c1 ZINC001209843559 1134078692 /nfs/dbraw/zinc/07/86/92/1134078692.db2.gz FHGGVDSQWSHJDU-UHFFFAOYSA-N 0 1 266.260 3.555 20 0 CHADMN Cc1cc(F)c(Nc2ccc3nc[nH]c3c2)cc1F ZINC001209847650 1134082689 /nfs/dbraw/zinc/08/26/89/1134082689.db2.gz CXQJUWMGRVVNRG-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Nc1cc(Cl)cc(F)c1Nc1ccc2nc[nH]c2c1 ZINC001209851629 1134082860 /nfs/dbraw/zinc/08/28/60/1134082860.db2.gz LBMQLWSTDQXMKZ-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN COc1c(Cl)cccc1Nc1ccc2nc[nH]c2c1 ZINC001209848852 1134083021 /nfs/dbraw/zinc/08/30/21/1134083021.db2.gz SIWIHIBVHJKZGO-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN CC(=O)c1ccc(F)cc1Nc1ccc2nc[nH]c2c1 ZINC001209850658 1134083297 /nfs/dbraw/zinc/08/32/97/1134083297.db2.gz FJLPSTVCLLQCMX-UHFFFAOYSA-N 0 1 269.279 3.648 20 0 CHADMN O=c1ccc2c(Nc3ccc4nc[nH]c4c3)cccc2[nH]1 ZINC001209849360 1134083783 /nfs/dbraw/zinc/08/37/83/1134083783.db2.gz XVGHPCXKUFZRPK-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN CC(C)c1c(Cl)ncnc1Nc1ccc2nc[nH]c2c1 ZINC001209848688 1134083967 /nfs/dbraw/zinc/08/39/67/1134083967.db2.gz OKXLXYRUILHYTQ-UHFFFAOYSA-N 0 1 287.754 3.873 20 0 CHADMN CC(=O)c1cc(Nc2ccc3nc[nH]c3c2)ccc1F ZINC001209849036 1134084445 /nfs/dbraw/zinc/08/44/45/1134084445.db2.gz UCCVOASREXADQD-UHFFFAOYSA-N 0 1 269.279 3.648 20 0 CHADMN COC(=O)c1cc(F)c(C)c(Nc2ccc3nc[nH]c3c2)c1 ZINC001209850208 1134084534 /nfs/dbraw/zinc/08/45/34/1134084534.db2.gz HTCXFDCFXNWLJK-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN COc1ccc(C(C)=O)c(Nc2ccc3nc[nH]c3c2)c1 ZINC001209851126 1134085078 /nfs/dbraw/zinc/08/50/78/1134085078.db2.gz IJLLCQCQDCGJEQ-UHFFFAOYSA-N 0 1 281.315 3.518 20 0 CHADMN CC(C)c1ncsc1Nc1ccc2nc[nH]c2c1 ZINC001209848766 1134085477 /nfs/dbraw/zinc/08/54/77/1134085477.db2.gz QKRIHWTXSUTOFQ-UHFFFAOYSA-N 0 1 258.350 3.886 20 0 CHADMN C=Cc1cccc(Nc2ccccc2N2CCN(C)CC2)c1 ZINC001209919114 1134101505 /nfs/dbraw/zinc/10/15/05/1134101505.db2.gz KSRRSDCDVFGZKG-UHFFFAOYSA-N 0 1 293.414 3.825 20 0 CHADMN Cc1cc(N)ncc1Nc1cc2ccccc2nc1C ZINC001209966956 1134110989 /nfs/dbraw/zinc/11/09/89/1134110989.db2.gz GCCQFOJRNZSBQN-UHFFFAOYSA-N 0 1 264.332 3.572 20 0 CHADMN Cc1cc(OC(F)F)ccc1Nc1cnc(N)cc1C ZINC001209967730 1134111205 /nfs/dbraw/zinc/11/12/05/1134111205.db2.gz RHEXCMVRCZDUSL-UHFFFAOYSA-N 0 1 279.290 3.626 20 0 CHADMN Cc1cc(N)ncc1Nc1ncccc1-c1ccccc1 ZINC001209967728 1134111350 /nfs/dbraw/zinc/11/13/50/1134111350.db2.gz NCWHELORVZEIJO-UHFFFAOYSA-N 0 1 276.343 3.778 20 0 CHADMN Cc1cc(N)ncc1Nc1cnc2cccc(Cl)c2c1 ZINC001209966588 1134111613 /nfs/dbraw/zinc/11/16/13/1134111613.db2.gz GQDZJYBJFPLFNC-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(-c2ccccc2)nc1 ZINC001209967218 1134111809 /nfs/dbraw/zinc/11/18/09/1134111809.db2.gz JCCPVKBQVVESHW-UHFFFAOYSA-N 0 1 276.343 3.778 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(F)ccc1OC(C)C ZINC001209970773 1134112538 /nfs/dbraw/zinc/11/25/38/1134112538.db2.gz DJLVLYBMPCNWNQ-UHFFFAOYSA-N 0 1 275.327 3.642 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(OCC(F)(F)F)cc1 ZINC001209969874 1134112917 /nfs/dbraw/zinc/11/29/17/1134112917.db2.gz SNEFYDSPNGKOQM-UHFFFAOYSA-N 0 1 297.280 3.657 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(C2CCOCC2)cc1 ZINC001209968924 1134113037 /nfs/dbraw/zinc/11/30/37/1134113037.db2.gz DNACERHXJOUSSK-UHFFFAOYSA-N 0 1 283.375 3.610 20 0 CHADMN Cc1cc2n[nH]cc2cc1Nc1cnc2cccc(C)n12 ZINC001210101115 1134145926 /nfs/dbraw/zinc/14/59/26/1134145926.db2.gz DYWGDUZYBGTMIT-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1c(Cl)cccc1CO ZINC001210102434 1134146540 /nfs/dbraw/zinc/14/65/40/1134146540.db2.gz NFMYGNDZHQNJAB-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN COc1ccc(Nc2cc3cn[nH]c3cc2C)cc1 ZINC001210101736 1134146958 /nfs/dbraw/zinc/14/69/58/1134146958.db2.gz KQGZNBFJRYGPIB-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cc1nn(C)c2ccc(Nc3cc4cn[nH]c4cc3C)cc12 ZINC001210104679 1134147644 /nfs/dbraw/zinc/14/76/44/1134147644.db2.gz ANYXXUFBTJWOSA-UHFFFAOYSA-N 0 1 291.358 3.810 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(F)cc(C)c1O ZINC001210104832 1134147776 /nfs/dbraw/zinc/14/77/76/1134147776.db2.gz DZJHWEZSESVRCD-UHFFFAOYSA-N 0 1 271.295 3.768 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1c(O)cccc1Cl ZINC001210103644 1134147943 /nfs/dbraw/zinc/14/79/43/1134147943.db2.gz YWGQQLUCSQEKFT-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN CCn1cc2cc(Nc3cc4cn[nH]c4cc3C)ccc2n1 ZINC001210105064 1134147965 /nfs/dbraw/zinc/14/79/65/1134147965.db2.gz JQPNEDVSECIYCY-UHFFFAOYSA-N 0 1 291.358 3.985 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc(Cl)c1CO ZINC001210105389 1134148086 /nfs/dbraw/zinc/14/80/86/1134148086.db2.gz ZMWMBQLOPIJGGM-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1nn(C)c2cc(Nc3cc4cn[nH]c4cc3C)ccc12 ZINC001210105176 1134148217 /nfs/dbraw/zinc/14/82/17/1134148217.db2.gz OLMWDXGMSSUYCD-UHFFFAOYSA-N 0 1 291.358 3.810 20 0 CHADMN CC(=O)c1ccc(F)cc1Nc1cc2cn[nH]c2cc1C ZINC001210105778 1134149138 /nfs/dbraw/zinc/14/91/38/1134149138.db2.gz IYHZBTIADCDDKZ-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN CC1(C)CC=C(Nc2cccc3c(=O)[nH][nH]c(=O)c23)CC1 ZINC001210167968 1134158875 /nfs/dbraw/zinc/15/88/75/1134158875.db2.gz IMOPEVWPWCZHNB-UHFFFAOYSA-N 0 1 285.347 3.547 20 0 CHADMN COc1ccc2ccccc2c1Nc1c(C)ncn1C ZINC001210168797 1134159625 /nfs/dbraw/zinc/15/96/25/1134159625.db2.gz PZBYWVXKHSKFNB-UHFFFAOYSA-N 0 1 267.332 3.634 20 0 CHADMN OCc1cc(NC=Cc2ccccc2C(F)(F)F)ccn1 ZINC001210428444 1134212044 /nfs/dbraw/zinc/21/20/44/1134212044.db2.gz DZWQVKRKFPFDPF-FNORWQNLSA-N 0 1 294.276 3.676 20 0 CHADMN Cc1cc(Cl)cc(Nc2cc(=O)[nH]c(Cl)n2)c1 ZINC001210462928 1134221262 /nfs/dbraw/zinc/22/12/62/1134221262.db2.gz TURDARNRZCVLFJ-UHFFFAOYSA-N 0 1 270.119 3.541 20 0 CHADMN Cc1cc(Cl)cc(Nc2ccnn2-c2ccncc2)c1 ZINC001210462416 1134221316 /nfs/dbraw/zinc/22/13/16/1134221316.db2.gz SXEPSHMPDWJHRG-UHFFFAOYSA-N 0 1 284.750 3.973 20 0 CHADMN CSc1ccc(Nc2nnc(C(C)C)o2)c(F)c1 ZINC001210869193 1134320583 /nfs/dbraw/zinc/32/05/83/1134320583.db2.gz RMGKSLSGRRHXJG-UHFFFAOYSA-N 0 1 267.329 3.798 20 0 CHADMN Cc1ccc(O)c(Nc2cc(Cl)c(O)c(Cl)c2)n1 ZINC001210924302 1134328135 /nfs/dbraw/zinc/32/81/35/1134328135.db2.gz IGGBLWYRQVGCDM-UHFFFAOYSA-N 0 1 285.130 3.852 20 0 CHADMN NC(=O)c1cccc(Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC001210927645 1134328840 /nfs/dbraw/zinc/32/88/40/1134328840.db2.gz SNTPMMIDIHCTEK-UHFFFAOYSA-N 0 1 297.141 3.542 20 0 CHADMN Nc1ccc2cnn(-c3cc(Cl)c(O)c(Cl)c3)c2c1 ZINC001210927517 1134329241 /nfs/dbraw/zinc/32/92/41/1134329241.db2.gz QZGQLJVZNMUAHU-UHFFFAOYSA-N 0 1 294.141 3.620 20 0 CHADMN Oc1c(Cl)cc(Nc2cncc(Cl)n2)cc1Cl ZINC001210924271 1134329937 /nfs/dbraw/zinc/32/99/37/1134329937.db2.gz GEEBNBYZKPSGSE-UHFFFAOYSA-N 0 1 290.537 3.886 20 0 CHADMN Nc1cccc2c1CCN2c1cc(Cl)c(O)c(Cl)c1 ZINC001210931919 1134330744 /nfs/dbraw/zinc/33/07/44/1134330744.db2.gz XIKWNFQRXYZXRK-UHFFFAOYSA-N 0 1 295.169 3.975 20 0 CHADMN Cc1cn2c(cccc2Nc2cccc([S-])c2)[nH+]1 ZINC001210945696 1134335019 /nfs/dbraw/zinc/33/50/19/1134335019.db2.gz RMJNSYFZDYTBQD-UHFFFAOYSA-N 0 1 255.346 3.675 20 0 CHADMN C=C(Nc1ccc(OC)cc1C(=O)OC)c1ccccc1 ZINC001210985217 1134342816 /nfs/dbraw/zinc/34/28/16/1134342816.db2.gz LCZCCHJTEGAVAF-UHFFFAOYSA-N 0 1 283.327 3.565 20 0 CHADMN C=C(Nc1ccccc1C(=O)NC1CC1)c1ccccc1 ZINC001210987650 1134343626 /nfs/dbraw/zinc/34/36/26/1134343626.db2.gz QUZCASNTYYJBES-UHFFFAOYSA-N 0 1 278.355 3.662 20 0 CHADMN CNC(=O)c1ccc(N=C(C)c2ccccc2)cc1Cl ZINC001210989422 1134344681 /nfs/dbraw/zinc/34/46/81/1134344681.db2.gz NMXAYOJXEVFFKW-UHFFFAOYSA-N 0 1 286.762 3.782 20 0 CHADMN CC(C)c1nnc(Nc2cncc(-c3ccccc3)c2)o1 ZINC001211019960 1134350749 /nfs/dbraw/zinc/35/07/49/1134350749.db2.gz OZLUBNYMYXISGG-UHFFFAOYSA-N 0 1 280.331 3.999 20 0 CHADMN CCOC(=O)c1c(C(C)C)csc1Nc1cncn1C ZINC001211246476 1134398403 /nfs/dbraw/zinc/39/84/03/1134398403.db2.gz BTHVKHVWBSFCJL-UHFFFAOYSA-N 0 1 293.392 3.525 20 0 CHADMN Cn1cncc1Nc1cc(Cl)ccc1Br ZINC001211249321 1134398738 /nfs/dbraw/zinc/39/87/38/1134398738.db2.gz OQVCVRIMTOLOPX-UHFFFAOYSA-N 0 1 286.560 3.580 20 0 CHADMN Cn1cncc1Nc1ccc(N2CCCCCC2)cc1 ZINC001211250672 1134399608 /nfs/dbraw/zinc/39/96/08/1134399608.db2.gz QPOFJZDBLKNVIM-UHFFFAOYSA-N 0 1 270.380 3.544 20 0 CHADMN C[C@@H]1CC(C)(C)c2cccc(Nc3cncn3C)c21 ZINC001211252068 1134400241 /nfs/dbraw/zinc/40/02/41/1134400241.db2.gz XYDMVYRZQOLTBR-LLVKDONJSA-N 0 1 255.365 3.949 20 0 CHADMN COc1cnccc1Nc1ccccc1-c1ccco1 ZINC001211265566 1134400266 /nfs/dbraw/zinc/40/02/66/1134400266.db2.gz QNHHCTWTCORJHN-UHFFFAOYSA-N 0 1 266.300 3.516 20 0 CHADMN COc1cnccc1Nc1ccc(-c2ccc(N)cc2)cc1 ZINC001211260538 1134400532 /nfs/dbraw/zinc/40/05/32/1134400532.db2.gz NCOFGNYFDOHPTM-UHFFFAOYSA-N 0 1 291.354 3.505 20 0 CHADMN Cc1nc2cc(Nc3cc(Cl)nnc3Cl)ccc2[nH]1 ZINC001213070324 1134419051 /nfs/dbraw/zinc/41/90/51/1134419051.db2.gz KPBGXBXISRUDLV-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1nc2ccc(Nc3cc(Cl)nnc3Cl)cc2[nH]1 ZINC001213070324 1134419052 /nfs/dbraw/zinc/41/90/52/1134419052.db2.gz KPBGXBXISRUDLV-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1nc2ccc(Nc3cnc(Cl)nc3Cl)cc2[nH]1 ZINC001213071261 1134419342 /nfs/dbraw/zinc/41/93/42/1134419342.db2.gz IOSJTKKFNBDMPB-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1nc2ccc(Nc3cc(-c4ccco4)no3)cc2[nH]1 ZINC001213072377 1134420475 /nfs/dbraw/zinc/42/04/75/1134420475.db2.gz QAXOZYOIZGASAD-UHFFFAOYSA-N 0 1 280.287 3.863 20 0 CHADMN Cc1nc2cc(Nc3cccc4nn(C)cc43)ccc2[nH]1 ZINC001213074187 1134420694 /nfs/dbraw/zinc/42/06/94/1134420694.db2.gz IDQAZIQYMYILMF-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1nc2cc(Nc3ccc(C(F)F)nc3)ccc2[nH]1 ZINC001213072129 1134421408 /nfs/dbraw/zinc/42/14/08/1134421408.db2.gz DPZJLMLGRKQNIU-UHFFFAOYSA-N 0 1 274.274 3.948 20 0 CHADMN Cc1nc2cc(Nc3ccccc3-n3cccn3)ccc2[nH]1 ZINC001213073159 1134421873 /nfs/dbraw/zinc/42/18/73/1134421873.db2.gz HDCFNOGNBCAHJH-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN COC(=O)c1ccc(C)c(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213074291 1134421988 /nfs/dbraw/zinc/42/19/88/1134421988.db2.gz NOJYUFHCVQZQHZ-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1nc2cc(Nc3cc(F)c(C)cc3N)ccc2[nH]1 ZINC001213074323 1134422001 /nfs/dbraw/zinc/42/20/01/1134422001.db2.gz ONWFRSHYSPLMLS-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN COC(=O)c1ccc(F)cc1Nc1ccc2[nH]c(C)nc2c1 ZINC001213075560 1134422457 /nfs/dbraw/zinc/42/24/57/1134422457.db2.gz VLQPROHPYVWGDV-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1nc2cc(Nc3ccccc3[C@H](C)O)ccc2[nH]1 ZINC001213076056 1134422854 /nfs/dbraw/zinc/42/28/54/1134422854.db2.gz CKSNCTGSJTWNJX-JTQLQIEISA-N 0 1 267.332 3.668 20 0 CHADMN Cc1nc2cc(Nc3ccc4c(c3)CCN4C)ccc2[nH]1 ZINC001213076503 1134423522 /nfs/dbraw/zinc/42/35/22/1134423522.db2.gz USJMXYIDCRANSM-UHFFFAOYSA-N 0 1 278.359 3.607 20 0 CHADMN Cc1cnc(Cl)c(Nc2ccnc(C(C)(C)C)c2)n1 ZINC001213164568 1134433169 /nfs/dbraw/zinc/43/31/69/1134433169.db2.gz UPUIALGVROAOBA-UHFFFAOYSA-N 0 1 276.771 3.875 20 0 CHADMN CC(C)(C)c1cc(Nc2ccnn2CC2CC2)ccn1 ZINC001213162919 1134433177 /nfs/dbraw/zinc/43/31/77/1134433177.db2.gz MKCQHEKQTNJXMR-UHFFFAOYSA-N 0 1 270.380 3.729 20 0 CHADMN Cc1nonc1Nc1cc(OCc2ccccc2)ccc1F ZINC001213272518 1134438664 /nfs/dbraw/zinc/43/86/64/1134438664.db2.gz WSNBFHHTXFGUIB-UHFFFAOYSA-N 0 1 299.305 3.840 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cnc(C)cc1C ZINC001213510930 1134457350 /nfs/dbraw/zinc/45/73/50/1134457350.db2.gz MUSJTUWXMCSDGT-UHFFFAOYSA-N 0 1 270.311 3.537 20 0 CHADMN COCc1ccc(C)c(Nc2cc(OC)c(C)cn2)c1 ZINC001213573685 1134464846 /nfs/dbraw/zinc/46/48/46/1134464846.db2.gz AXWHOOYAWUHIRL-UHFFFAOYSA-N 0 1 272.348 3.597 20 0 CHADMN Cc1nn(C)c2cc(Nc3cnc4cccc(C)n34)ccc12 ZINC001213757096 1134481036 /nfs/dbraw/zinc/48/10/36/1134481036.db2.gz QFWCBLCPSYJNKP-UHFFFAOYSA-N 0 1 291.358 3.581 20 0 CHADMN CSc1ccc(-n2cnc(C)c2N)cc1C(F)(F)F ZINC001214470545 1134542487 /nfs/dbraw/zinc/54/24/87/1134542487.db2.gz FGRIOKHHNLQYPN-UHFFFAOYSA-N 0 1 287.310 3.504 20 0 CHADMN CC(=O)c1cc(Nc2ccc(Cl)c(O)c2F)cnc1C ZINC001214798455 1134574607 /nfs/dbraw/zinc/57/46/07/1134574607.db2.gz SAEUQODRAKIDMB-UHFFFAOYSA-N 0 1 294.713 3.834 20 0 CHADMN Oc1c(Cl)ccc(Nc2cccc3nnsc32)c1F ZINC001214806590 1134576813 /nfs/dbraw/zinc/57/68/13/1134576813.db2.gz ISPHSSCGFWDLPA-UHFFFAOYSA-N 0 1 295.726 3.933 20 0 CHADMN O=C1OCc2cccc(Nc3ccc(Cl)c(O)c3F)c21 ZINC001214806265 1134576969 /nfs/dbraw/zinc/57/69/69/1134576969.db2.gz BXOYFMHLIHDKCC-UHFFFAOYSA-N 0 1 293.681 3.599 20 0 CHADMN Cc1ccc(-c2noc(-c3[nH]nc(C4CC4)c3F)n2)cc1C ZINC001214932574 1134582005 /nfs/dbraw/zinc/58/20/05/1134582005.db2.gz JKCAOAFIMJDVJU-UHFFFAOYSA-N 0 1 298.321 3.760 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)N[C@H]1CCCc2n[nH]cc21 ZINC000401626785 1134617922 /nfs/dbraw/zinc/61/79/22/1134617922.db2.gz AYWIFFQKQKVDHG-CJNGLKHVSA-N 0 1 299.418 3.925 20 0 CHADMN CCc1nc2cc(N[C@@H]3CCCc4[nH]ncc43)ccc2o1 ZINC000401625613 1134618188 /nfs/dbraw/zinc/61/81/88/1134618188.db2.gz ZXVIBGFVXRDRBU-GFCCVEGCSA-N 0 1 282.347 3.603 20 0 CHADMN CCC(=O)Nc1ccc(C)c(N[C@@H]2CCCc3[nH]ncc32)c1 ZINC000401745663 1134619295 /nfs/dbraw/zinc/61/92/95/1134619295.db2.gz VRVCRQMLISBIHO-CQSZACIVSA-N 0 1 298.390 3.556 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(F)c(F)c1OC(C)C ZINC001215422253 1134627186 /nfs/dbraw/zinc/62/71/86/1134627186.db2.gz FZMIFTPEYCCUOA-UHFFFAOYSA-N 0 1 281.306 3.538 20 0 CHADMN COCc1cc(C)c(-n2c(N)nc3c2cccc3C)c(C)c1 ZINC001215528817 1134637835 /nfs/dbraw/zinc/63/78/35/1134637835.db2.gz SLJYSYAFEOYEJZ-UHFFFAOYSA-N 0 1 295.386 3.679 20 0 CHADMN Cc1cnc(Nc2cc3n[nH]cc3c(F)c2)c(Cl)c1 ZINC001215553877 1134639501 /nfs/dbraw/zinc/63/95/01/1134639501.db2.gz MEMUOHCIUNQBGB-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1nc2sccc2c(Nc2cc3[nH]ncc3c(F)c2)n1 ZINC001215553257 1134640066 /nfs/dbraw/zinc/64/00/66/1134640066.db2.gz SLONHCIFXDSQBN-UHFFFAOYSA-N 0 1 299.334 3.759 20 0 CHADMN Cc1cc2c(cccc2Nc2cc3[nH]ncc3c(F)c2)nn1 ZINC001215556118 1134640338 /nfs/dbraw/zinc/64/03/38/1134640338.db2.gz VMGXWRYCRUGAIK-UHFFFAOYSA-N 0 1 293.305 3.697 20 0 CHADMN C[C@H]1CCc2cc(N)ccc2N1c1cc2[nH]ncc2c(F)c1 ZINC001215555173 1134640945 /nfs/dbraw/zinc/64/09/45/1134640945.db2.gz PLXULPYAVFEZOJ-JTQLQIEISA-N 0 1 296.349 3.757 20 0 CHADMN Cc1ccc(F)cc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555010 1134640957 /nfs/dbraw/zinc/64/09/57/1134640957.db2.gz PITXCVIDVBNJBM-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Fc1cc(Nc2ccccc2-n2cccn2)cc2[nH]ncc21 ZINC001215555421 1134641206 /nfs/dbraw/zinc/64/12/06/1134641206.db2.gz WILBDRIWSHRJLC-UHFFFAOYSA-N 0 1 293.305 3.631 20 0 CHADMN Fc1cc(Nc2cccc3c2CCC3)cc2[nH]ncc21 ZINC001215555288 1134641399 /nfs/dbraw/zinc/64/13/99/1134641399.db2.gz SYTYJINKMNEUSF-UHFFFAOYSA-N 0 1 267.307 3.934 20 0 CHADMN Cc1ccc(CCCO)c(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215556603 1134642097 /nfs/dbraw/zinc/64/20/97/1134642097.db2.gz JGHUEWSMUDOGNO-UHFFFAOYSA-N 0 1 299.349 3.679 20 0 CHADMN Fc1cc(Nc2cccc(C3CC3)n2)cc2[nH]ncc21 ZINC001215556734 1134642559 /nfs/dbraw/zinc/64/25/59/1134642559.db2.gz YSLBTNICRCNXKC-UHFFFAOYSA-N 0 1 268.295 3.718 20 0 CHADMN CCCOc1ccc(F)c(Nc2c(C)ncn2C)c1F ZINC001215568884 1134643141 /nfs/dbraw/zinc/64/31/41/1134643141.db2.gz MTNBNAIWJQONMS-UHFFFAOYSA-N 0 1 281.306 3.539 20 0 CHADMN CCCOc1ccc(F)c(Nc2nc(C)co2)c1F ZINC001215567717 1134643612 /nfs/dbraw/zinc/64/36/12/1134643612.db2.gz LRKHWYRQMDOBNQ-UHFFFAOYSA-N 0 1 268.263 3.794 20 0 CHADMN Cc1coc(Nc2cccc(CN3CCCCC3)c2F)n1 ZINC001215676615 1134658714 /nfs/dbraw/zinc/65/87/14/1134658714.db2.gz ZXHOWPNXYJYQIS-UHFFFAOYSA-N 0 1 289.354 3.852 20 0 CHADMN Cc1ccc(Nc2cc(C(C)C)no2)c2cn[nH]c21 ZINC001215753951 1134673757 /nfs/dbraw/zinc/67/37/57/1134673757.db2.gz HLUSBNKIHIHPSG-UHFFFAOYSA-N 0 1 256.309 3.726 20 0 CHADMN Cc1ccc(Nc2ccc(-n3ccnc3)cc2)c2cn[nH]c21 ZINC001215756629 1134674582 /nfs/dbraw/zinc/67/45/82/1134674582.db2.gz FDBJVBRFDYHUBY-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1ccc(Nc2ccc3cnn(C)c3c2)c2cn[nH]c21 ZINC001215756929 1134674827 /nfs/dbraw/zinc/67/48/27/1134674827.db2.gz GZVFYCUPEGEVJQ-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1ccc(Nc2cc(O)cc(Cl)c2)c2cn[nH]c21 ZINC001215758637 1134675868 /nfs/dbraw/zinc/67/58/68/1134675868.db2.gz ABXBMCUFWBZFPX-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1ccc(Nc2cccc3nn(C)cc32)c2cn[nH]c21 ZINC001215758354 1134676019 /nfs/dbraw/zinc/67/60/19/1134676019.db2.gz QPWQZOOTPNSJIJ-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1ccc(Nc2cccc(O)c2Cl)c2cn[nH]c21 ZINC001215757944 1134676104 /nfs/dbraw/zinc/67/61/04/1134676104.db2.gz AHKNYSSTZJKKSI-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN COc1cc(F)ccc1Nc1ccc(C)c2[nH]ncc21 ZINC001215758310 1134676327 /nfs/dbraw/zinc/67/63/27/1134676327.db2.gz PCZVDSGHVTUILD-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1ccc(Nc2ccc3cn(C)nc3c2)c2cn[nH]c21 ZINC001215758359 1134676630 /nfs/dbraw/zinc/67/66/30/1134676630.db2.gz QVRJWQOFHOUIGB-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1ccc(Nc2cccc3cn(C)nc32)c2cn[nH]c21 ZINC001215758787 1134677054 /nfs/dbraw/zinc/67/70/54/1134677054.db2.gz XTVGJFFCECVHBY-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1ccc(Nc2ccc(O)c(C)c2C)c2cn[nH]c21 ZINC001215759680 1134677394 /nfs/dbraw/zinc/67/73/94/1134677394.db2.gz PWQQPNMNJJCHKU-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN Cc1ccc(Nc2cc(Cl)cc(CO)c2)c2cn[nH]c21 ZINC001215759499 1134677496 /nfs/dbraw/zinc/67/74/96/1134677496.db2.gz MUNUYUXWBHSHIL-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN COc1cc(Nc2ccc(C)c3[nH]ncc32)ccc1C(C)=O ZINC001215758776 1134677823 /nfs/dbraw/zinc/67/78/23/1134677823.db2.gz FCPMSNKUJHCILF-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN COc1cc(Nc2ccc(O)c(C(C)C)c2)ncc1C ZINC001215846162 1134702006 /nfs/dbraw/zinc/70/20/06/1134702006.db2.gz PLWZCACBNYGHDP-UHFFFAOYSA-N 0 1 272.348 3.971 20 0 CHADMN COc1ccnc(Nc2ccc(O)c(C(C)C)c2)c1 ZINC001215846834 1134702177 /nfs/dbraw/zinc/70/21/77/1134702177.db2.gz ZAIVVPMFZKIJIX-UHFFFAOYSA-N 0 1 258.321 3.663 20 0 CHADMN S=c1[nH]cccc1Nc1cc(Cl)cc2[nH]ncc21 ZINC001215857524 1134704265 /nfs/dbraw/zinc/70/42/65/1134704265.db2.gz TTWPBZJIADJVFA-UHFFFAOYSA-N 0 1 276.752 3.644 20 0 CHADMN Cc1ccc(CO)c(Nc2cc(Cl)cc3[nH]ncc32)c1 ZINC001215861851 1134705323 /nfs/dbraw/zinc/70/53/23/1134705323.db2.gz MLRNEPIMZODVCS-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1cc(CO)cc(Nc2cc(Cl)cc3[nH]ncc32)c1 ZINC001215862183 1134706709 /nfs/dbraw/zinc/70/67/09/1134706709.db2.gz SIPNXQMJQHQLBO-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN CSc1cc(C)ccc1-n1c(N)nc2ccc(C)cc21 ZINC001215870453 1134708706 /nfs/dbraw/zinc/70/87/06/1134708706.db2.gz INNMRMONPWOWAL-UHFFFAOYSA-N 0 1 283.400 3.946 20 0 CHADMN Cc1ccc(Nc2cc(=O)[nH]c(Cl)n2)c(OC(C)C)c1 ZINC001215877469 1134711498 /nfs/dbraw/zinc/71/14/98/1134711498.db2.gz IDEZEEUMUXOJQT-UHFFFAOYSA-N 0 1 293.754 3.675 20 0 CHADMN COc1ccc(Nc2cc(OC)c(C)cn2)cc1SC ZINC001215932451 1134723516 /nfs/dbraw/zinc/72/35/16/1134723516.db2.gz FVSSLLQHRIAKOI-UHFFFAOYSA-N 0 1 290.388 3.873 20 0 CHADMN COc1cccc([C@H](C)NCC=C(Cl)Cl)c1 ZINC000403331292 1134758896 /nfs/dbraw/zinc/75/88/96/1134758896.db2.gz GGMKGXYLTTWQFS-VIFPVBQESA-N 0 1 260.164 3.665 20 0 CHADMN Nc1ccc(Nc2ccc3nccn3c2)cc1C(F)(F)F ZINC001216048389 1134761042 /nfs/dbraw/zinc/76/10/42/1134761042.db2.gz BRYUMVHXVITWDO-UHFFFAOYSA-N 0 1 292.264 3.679 20 0 CHADMN COc1cc(Nc2ccc(N)c(C(F)(F)F)c2)ncc1C ZINC001216051676 1134761307 /nfs/dbraw/zinc/76/13/07/1134761307.db2.gz WPXJMQQEZXLHSC-UHFFFAOYSA-N 0 1 297.280 3.743 20 0 CHADMN COc1ccc([C@@H](C)NCC=C(Cl)Cl)cc1 ZINC000403359250 1134762008 /nfs/dbraw/zinc/76/20/08/1134762008.db2.gz MJBUTBHPCLRLDC-SECBINFHSA-N 0 1 260.164 3.665 20 0 CHADMN Cc1cc(Nc2ccc3nccn3c2)cc(Cl)c1O ZINC001216083451 1134771365 /nfs/dbraw/zinc/77/13/65/1134771365.db2.gz IFPFFEBQEDZKAX-UHFFFAOYSA-N 0 1 273.723 3.745 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1cc(C)c(O)c(Cl)c1 ZINC001216082646 1134771722 /nfs/dbraw/zinc/77/17/22/1134771722.db2.gz BKUXLYVRSPMCGW-UHFFFAOYSA-N 0 1 287.750 3.584 20 0 CHADMN CNc1cc(F)cc(Nc2cc(C)nc3ccccc32)c1 ZINC001216184279 1134799211 /nfs/dbraw/zinc/79/92/11/1134799211.db2.gz MWUSDQXRTDMMIQ-UHFFFAOYSA-N 0 1 281.334 3.890 20 0 CHADMN Cc1cc(O)ccc1Nc1cccc(CN(C)C)c1F ZINC001216232136 1134814563 /nfs/dbraw/zinc/81/45/63/1134814563.db2.gz VBUKRDYQAZGNHE-UHFFFAOYSA-N 0 1 274.339 3.645 20 0 CHADMN CN(C)Cc1cccc(Nc2c(F)cc(O)cc2F)c1F ZINC001216232983 1134816771 /nfs/dbraw/zinc/81/67/71/1134816771.db2.gz RZXRYAFNUQOLCY-UHFFFAOYSA-N 0 1 296.292 3.615 20 0 CHADMN Cc1cc(N)c(F)cc1Nc1cccc(CN(C)C)c1F ZINC001216232943 1134817847 /nfs/dbraw/zinc/81/78/47/1134817847.db2.gz QSAUPUZGDBLZSQ-UHFFFAOYSA-N 0 1 291.345 3.661 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc3c(c2)OCC3)c1F ZINC001216233123 1134817952 /nfs/dbraw/zinc/81/79/52/1134817952.db2.gz VGJZISINEPZEHX-UHFFFAOYSA-N 0 1 286.350 3.566 20 0 CHADMN Cc1cc(Nc2cnc(Cl)cc2C)n(-c2ccncc2)n1 ZINC001216279878 1134834987 /nfs/dbraw/zinc/83/49/87/1134834987.db2.gz YWISQPUTTZAOMX-UHFFFAOYSA-N 0 1 299.765 3.676 20 0 CHADMN COc1ccc2nc(N)n(-c3cc4c(cccc4F)o3)c2c1 ZINC001216291376 1134837792 /nfs/dbraw/zinc/83/77/92/1134837792.db2.gz HMRAWAHSQGZOHN-UHFFFAOYSA-N 0 1 297.289 3.502 20 0 CHADMN Cc1ccc2nc(N)n(-c3c(C)c(F)ccc3F)c2c1 ZINC001216342989 1134862874 /nfs/dbraw/zinc/86/28/74/1134862874.db2.gz LCDNCLVMCHAOCN-UHFFFAOYSA-N 0 1 273.286 3.503 20 0 CHADMN CC(=O)c1sccc1Nc1cncn1Cc1ccccc1 ZINC001216550590 1134917705 /nfs/dbraw/zinc/91/77/05/1134917705.db2.gz JTFHICSTYRDFML-UHFFFAOYSA-N 0 1 297.383 3.939 20 0 CHADMN Cc1cc(Nc2cncn2Cc2ccccc2)cnc1F ZINC001216549259 1134918089 /nfs/dbraw/zinc/91/80/89/1134918089.db2.gz CCFNWVOBDDOLOZ-UHFFFAOYSA-N 0 1 282.322 3.518 20 0 CHADMN Cc1cnc(Nc2cncn2Cc2ccccc2)c(F)c1 ZINC001216551043 1134918248 /nfs/dbraw/zinc/91/82/48/1134918248.db2.gz VMZSSIUFUTVXMJ-UHFFFAOYSA-N 0 1 282.322 3.518 20 0 CHADMN Cc1ccc(C)c(Nc2cncn2Cc2ccccc2)n1 ZINC001216549626 1134918910 /nfs/dbraw/zinc/91/89/10/1134918910.db2.gz NVSLNGGISQXKMC-UHFFFAOYSA-N 0 1 278.359 3.687 20 0 CHADMN Oc1ccc(Nc2cncn2Cc2ccccc2)cc1F ZINC001216553808 1134920308 /nfs/dbraw/zinc/92/03/08/1134920308.db2.gz OAUVDVAGRHSEIZ-UHFFFAOYSA-N 0 1 283.306 3.520 20 0 CHADMN Cc1cccc(-c2noc(-c3ccc(F)c(O)c3F)n2)c1 ZINC001216986500 1134957220 /nfs/dbraw/zinc/95/72/20/1134957220.db2.gz URDDLHLUDCKHJL-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Cc1cccc(-c2noc(-c3ccc4[nH]cnc4c3)n2)c1F ZINC001217131704 1134964252 /nfs/dbraw/zinc/96/42/52/1134964252.db2.gz UJZJHJPLAWJYML-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1ccc(-c2noc(-c3ccc4cncn4c3)n2)c(C)c1 ZINC001217345845 1134972523 /nfs/dbraw/zinc/97/25/23/1134972523.db2.gz WYUVDXMCJMSZRH-UHFFFAOYSA-N 0 1 290.326 3.668 20 0 CHADMN CCc1cccc(-c2noc(-c3ccn4cncc4c3)n2)c1 ZINC001217332487 1134972730 /nfs/dbraw/zinc/97/27/30/1134972730.db2.gz RZKPUATXDYOFGC-UHFFFAOYSA-N 0 1 290.326 3.614 20 0 CHADMN Cc1ccc(-c2noc(-c3cnc4ccc[nH]c3-4)n2)c(C)c1 ZINC001217399905 1134976040 /nfs/dbraw/zinc/97/60/40/1134976040.db2.gz ZOEYCTGQDGBIPR-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Cc1ncccc1-c1noc(-c2ccc3occc3c2O)n1 ZINC001217514880 1134981706 /nfs/dbraw/zinc/98/17/06/1134981706.db2.gz WLGOZSGCSYQICS-UHFFFAOYSA-N 0 1 293.282 3.559 20 0 CHADMN CN[C@H](CC(C)C)c1nnc(Cc2ccc(Cl)cc2)o1 ZINC001217715016 1134990635 /nfs/dbraw/zinc/99/06/35/1134990635.db2.gz QTADGZVBWKHUEV-CYBMUJFWSA-N 0 1 293.798 3.620 20 0 CHADMN CN[C@H](CC(C)C)c1nnc(CCCc2ccccc2)o1 ZINC001217714956 1134990855 /nfs/dbraw/zinc/99/08/55/1134990855.db2.gz PKSLSXUHXMJIAW-OAHLLOKOSA-N 0 1 287.407 3.552 20 0 CHADMN CN[C@H](c1nnc(-c2ccc(Cl)cc2C)o1)C(C)C ZINC001217727056 1134992803 /nfs/dbraw/zinc/99/28/03/1134992803.db2.gz LOLNESNWFFVAHD-LBPRGKRZSA-N 0 1 279.771 3.615 20 0 CHADMN CCCCC[C@H](NC)c1nnc(-c2cccc(OC)c2)o1 ZINC001217755419 1134994071 /nfs/dbraw/zinc/99/40/71/1134994071.db2.gz BAHJTQYUKGGIQL-AWEZNQCLSA-N 0 1 289.379 3.586 20 0 CHADMN CCCCC[C@H](NC)c1nnc(Cc2ccccc2F)o1 ZINC001217756709 1134995410 /nfs/dbraw/zinc/99/54/10/1134995410.db2.gz SFGQCMAXLULYJE-AWEZNQCLSA-N 0 1 291.370 3.640 20 0 CHADMN CC(C)C[C@H](C)C[C@H](CC(C)C)Oc1cnc(CN)nc1 ZINC001218291436 1135079194 /nfs/dbraw/zinc/07/91/94/1135079194.db2.gz NAIJPQDQDQPHMW-GJZGRUSLSA-N 0 1 293.455 3.801 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)[C@@H]2NCc3ccccc32)cc1 ZINC001218808699 1135120516 /nfs/dbraw/zinc/12/05/16/1135120516.db2.gz JFWGPZFRTWILDB-FZKQIMNGSA-N 0 1 294.398 3.983 20 0 CHADMN COc1c(C)cnc(CN[C@H]2CCCc3ccccc32)c1C ZINC000315385985 1135153374 /nfs/dbraw/zinc/15/33/74/1135153374.db2.gz DSHNTEYZJPZJPA-KRWDZBQOSA-N 0 1 296.414 3.874 20 0 CHADMN N[C@@H](C(=O)NCCCCC1CCCCC1)c1ccccc1 ZINC001221328907 1135172583 /nfs/dbraw/zinc/17/25/83/1135172583.db2.gz JDYPYOIWXQSUJW-QGZVFWFLSA-N 0 1 288.435 3.553 20 0 CHADMN CCOc1ccc(-c2ccc(CN(C)C)c(F)c2)c(C)n1 ZINC001222122087 1135195957 /nfs/dbraw/zinc/19/59/57/1135195957.db2.gz QARBAKIUNJYPGZ-UHFFFAOYSA-N 0 1 288.366 3.656 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc(C)c(F)c1OC ZINC001222309436 1135222954 /nfs/dbraw/zinc/22/29/54/1135222954.db2.gz LMMMVWPUIZWFEQ-UHFFFAOYSA-N 0 1 286.306 3.695 20 0 CHADMN COC(=O)c1nc2ccc(-c3ccccc3Cl)cc2[nH]1 ZINC001222431383 1135241759 /nfs/dbraw/zinc/24/17/59/1135241759.db2.gz FGDNDRMGFKNZBL-UHFFFAOYSA-N 0 1 286.718 3.670 20 0 CHADMN Cc1ccc2ccccc2c1COC1CN(C(C)C)C1 ZINC001223819261 1135389195 /nfs/dbraw/zinc/38/91/95/1135389195.db2.gz VHEHYZZCEUWDRJ-UHFFFAOYSA-N 0 1 269.388 3.757 20 0 CHADMN CCCCCCO[C@@H]1CC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001224670785 1135468263 /nfs/dbraw/zinc/46/82/63/1135468263.db2.gz YOWSPSHUWHSVTO-JKSUJKDBSA-N 0 1 276.424 3.814 20 0 CHADMN CC(C)[N@H+]1CCC[C@H](Oc2ccccc2Br)C1 ZINC001225201169 1135512632 /nfs/dbraw/zinc/51/26/32/1135512632.db2.gz FWFSZMZFWSSOIF-LBPRGKRZSA-N 0 1 298.224 3.701 20 0 CHADMN CC(C)N1CCC[C@H](Oc2ccccc2Br)C1 ZINC001225201169 1135512636 /nfs/dbraw/zinc/51/26/36/1135512636.db2.gz FWFSZMZFWSSOIF-LBPRGKRZSA-N 0 1 298.224 3.701 20 0 CHADMN Cc1ccccc1O[C@@H]1CC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001225216872 1135516145 /nfs/dbraw/zinc/51/61/45/1135516145.db2.gz NQVNOZWPDQRQNZ-JKSUJKDBSA-N 0 1 282.387 3.604 20 0 CHADMN CCN1CCC[C@@H](Oc2ccc(C)cc2Cl)C1 ZINC001225344081 1135548565 /nfs/dbraw/zinc/54/85/65/1135548565.db2.gz DJPZYNGRCSOQEN-GFCCVEGCSA-N 0 1 253.773 3.512 20 0 CHADMN CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([S-])cc1)C2 ZINC001225555341 1135586761 /nfs/dbraw/zinc/58/67/61/1135586761.db2.gz LXYPZVRBHRVZIE-NHAGDIPZSA-N 0 1 277.433 3.758 20 0 CHADMN CN1CC[C@H](Oc2cc(C(F)(F)F)cc(Cl)c2F)C1 ZINC001225909360 1135636763 /nfs/dbraw/zinc/63/67/63/1135636763.db2.gz BAHVSCPFCJPPEY-QMMMGPOBSA-N 0 1 297.679 3.581 20 0 CHADMN Clc1ccc2c(c1)[C@@H](Oc1cccc3[nH]nnc31)CC2 ZINC001225992172 1135649674 /nfs/dbraw/zinc/64/96/74/1135649674.db2.gz PTCBWNABOLRNNV-ZDUSSCGKSA-N 0 1 285.734 3.678 20 0 CHADMN CC(=O)c1ccc2ccccc2c1O[C@H]1CN2CCC1CC2 ZINC001226034389 1135655309 /nfs/dbraw/zinc/65/53/09/1135655309.db2.gz SYKUTVBPSXSBBJ-SFHVURJKSA-N 0 1 295.382 3.515 20 0 CHADMN CC(=O)c1ccc(OC2CCN(C3CC3)CC2)c(Cl)c1 ZINC001226233839 1135674758 /nfs/dbraw/zinc/67/47/58/1135674758.db2.gz YGUOYXZORHFGCA-UHFFFAOYSA-N 0 1 293.794 3.548 20 0 CHADMN CCC[C@H](Oc1n[nH]c2ncccc12)c1ccc(OC)cc1 ZINC001226305111 1135682633 /nfs/dbraw/zinc/68/26/33/1135682633.db2.gz HNAAIHUISMCPOP-HNNXBMFYSA-N 0 1 297.358 3.887 20 0 CHADMN CC[C@@H](Oc1n[nH]c2ncccc12)C1CCCCC1 ZINC001226306664 1135683692 /nfs/dbraw/zinc/68/36/92/1135683692.db2.gz XEJCMEGROHDOOG-CYBMUJFWSA-N 0 1 259.353 3.696 20 0 CHADMN Nc1cc(O[C@@H]2CCCc3cccnc32)c2ccccc2n1 ZINC001226418066 1135694672 /nfs/dbraw/zinc/69/46/72/1135694672.db2.gz HWNDENFVKDCEGV-OAHLLOKOSA-N 0 1 291.354 3.668 20 0 CHADMN C[C@H]1CCC[C@@H](Oc2cc(N)nc3ccccc32)C1 ZINC001226415961 1135694740 /nfs/dbraw/zinc/69/47/40/1135694740.db2.gz BNJFDXBVKSSUQR-NWDGAFQWSA-N 0 1 256.349 3.775 20 0 CHADMN CO[C@@H](COc1nc2ccc(C)cc2[nH]1)c1ccccc1 ZINC001226506375 1135704836 /nfs/dbraw/zinc/70/48/36/1135704836.db2.gz OPOUWJMAPRROAB-INIZCTEOSA-N 0 1 282.343 3.638 20 0 CHADMN Cc1ccc2nc(OC[C@H](C)OCc3ccccc3)[nH]c2c1 ZINC001226508734 1135705933 /nfs/dbraw/zinc/70/59/33/1135705933.db2.gz OYZIYGKZIIXJDH-AWEZNQCLSA-N 0 1 296.370 3.855 20 0 CHADMN Cc1ccc2nc(OC[C@H](C)Oc3ccccc3)[nH]c2c1 ZINC001226508643 1135706105 /nfs/dbraw/zinc/70/61/05/1135706105.db2.gz MBZFQLKXOZWOMT-ZDUSSCGKSA-N 0 1 282.343 3.718 20 0 CHADMN Cc1ccc2nc(O[C@@H](C)c3ccc(C)nc3)[nH]c2c1 ZINC001226509620 1135706150 /nfs/dbraw/zinc/70/61/50/1135706150.db2.gz WDQKVFIRXRHGJA-LBPRGKRZSA-N 0 1 267.332 3.715 20 0 CHADMN Fc1ccc2nc(O[C@@H]3CCCc4cccnc43)[nH]c2c1 ZINC001226700767 1135730201 /nfs/dbraw/zinc/73/02/01/1135730201.db2.gz DUGHTCTYXWEGNG-CQSZACIVSA-N 0 1 283.306 3.553 20 0 CHADMN O=C1CC[C@@H](Oc2nc3ccc(F)cc3[nH]2)c2ccccc21 ZINC001226701087 1135730691 /nfs/dbraw/zinc/73/06/91/1135730691.db2.gz LABOTYZDYOKLKK-MRXNPFEDSA-N 0 1 296.301 3.799 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2Oc1nc2ccc(F)cc2[nH]1 ZINC001226703559 1135731525 /nfs/dbraw/zinc/73/15/25/1135731525.db2.gz DFUDMYDGQIOKBH-OAHLLOKOSA-N 0 1 286.281 3.907 20 0 CHADMN Cc1cnc(F)c([C@H](C)Oc2nc3ccc(F)cc3[nH]2)c1 ZINC001226705298 1135732024 /nfs/dbraw/zinc/73/20/24/1135732024.db2.gz ZGTORSFBRBESLN-VIFPVBQESA-N 0 1 289.285 3.685 20 0 CHADMN C[C@@H](Cc1ccccc1)Oc1ccc2nc[nH]c2c1 ZINC001226928258 1135761647 /nfs/dbraw/zinc/76/16/47/1135761647.db2.gz ITJFSTQDRMVVSE-LBPRGKRZSA-N 0 1 252.317 3.573 20 0 CHADMN C[C@H](Oc1ccc2nc[nH]c2c1)c1c(F)cccc1F ZINC001226923766 1135761790 /nfs/dbraw/zinc/76/17/90/1135761790.db2.gz HGNDXGRSVDFFOI-VIFPVBQESA-N 0 1 274.270 3.981 20 0 CHADMN COc1cccc([C@H](C)Oc2ccc3nc[nH]c3c2)c1 ZINC001226927807 1135762015 /nfs/dbraw/zinc/76/20/15/1135762015.db2.gz BBDYCLQRNBINTJ-NSHDSACASA-N 0 1 268.316 3.712 20 0 CHADMN C[C@@H](COCc1ccccc1)Oc1ccc2nc[nH]c2c1 ZINC001226928161 1135762088 /nfs/dbraw/zinc/76/20/88/1135762088.db2.gz IBGDVRAEXNGPKP-ZDUSSCGKSA-N 0 1 282.343 3.547 20 0 CHADMN C[C@@H](Oc1ccc2nc[nH]c2c1)c1ccc(F)cc1 ZINC001226929145 1135762558 /nfs/dbraw/zinc/76/25/58/1135762558.db2.gz ZKAJQNOCRTYMKJ-SNVBAGLBSA-N 0 1 256.280 3.842 20 0 CHADMN Cc1ccc2nc(=O)[nH]c(O[C@@H](C)c3ccccc3F)c2c1 ZINC001227349495 1135824177 /nfs/dbraw/zinc/82/41/77/1135824177.db2.gz HUGRWUMVCZZFBP-NSHDSACASA-N 0 1 298.317 3.923 20 0 CHADMN Cc1ccc2nc(=O)[nH]c(O[C@H](C)c3ccc(F)cc3)c2c1 ZINC001227352059 1135824579 /nfs/dbraw/zinc/82/45/79/1135824579.db2.gz ZMTKGCMZXCQCCL-LLVKDONJSA-N 0 1 298.317 3.923 20 0 CHADMN COc1ccc(C(=O)c2ccccc2O)c(OC2CCC2)c1 ZINC001227407815 1135830116 /nfs/dbraw/zinc/83/01/16/1135830116.db2.gz RMGJBLCPRZANRB-UHFFFAOYSA-N 0 1 298.338 3.563 20 0 CHADMN Cc1ccc2[nH]c(CN[C@@H](C)c3ccccc3)nc2c1 ZINC000083251173 178369427 /nfs/dbraw/zinc/36/94/27/178369427.db2.gz JXQYWLSLVXNNAW-ZDUSSCGKSA-N 0 1 265.360 3.722 20 0 CHADMN Cc1ccc2nc(CN[C@@H](C)c3ccccc3)[nH]c2c1 ZINC000083251173 178369429 /nfs/dbraw/zinc/36/94/29/178369429.db2.gz JXQYWLSLVXNNAW-ZDUSSCGKSA-N 0 1 265.360 3.722 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1Cc1ccc(OC)c(O)c1 ZINC000344921964 529463058 /nfs/dbraw/zinc/46/30/58/529463058.db2.gz FOWSIFIIDVCYKI-QGZVFWFLSA-N 0 1 297.398 3.738 20 0 CHADMN CCc1cc(=O)[nH]c(CN(Cc2ccccc2)[C@H](C)CC)n1 ZINC000344365978 529564100 /nfs/dbraw/zinc/56/41/00/529564100.db2.gz NHMJZKWJPNAFGL-CQSZACIVSA-N 0 1 299.418 3.545 20 0 CHADMN CCn1ccnc1CN1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000347599821 529569080 /nfs/dbraw/zinc/56/90/80/529569080.db2.gz MKHRQEFPOHFZKS-UONOGXRCSA-N 0 1 263.429 3.550 20 0 CHADMN CCc1ccc(CN2CCCC[C@H]2c2cccn2C)cn1 ZINC000347864843 529639523 /nfs/dbraw/zinc/63/95/23/529639523.db2.gz YGJQIUHWRNJOGI-SFHVURJKSA-N 0 1 283.419 3.710 20 0 CHADMN CCc1ccc(CN2CCC[C@@H]2c2ccccc2OC)cn1 ZINC000347781882 529639882 /nfs/dbraw/zinc/63/98/82/529639882.db2.gz MVCASYVMOVIKQK-GOSISDBHSA-N 0 1 296.414 3.990 20 0 CHADMN CCc1ccc(CNCc2ccc(CSC)cc2)o1 ZINC000353088481 529653324 /nfs/dbraw/zinc/65/33/24/529653324.db2.gz LUCZUJXEXRQQFZ-UHFFFAOYSA-N 0 1 275.417 3.995 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@H](C)c1cc(C)ccn1 ZINC000353631769 529678892 /nfs/dbraw/zinc/67/88/92/529678892.db2.gz MTQLZQMEXNGORE-ZIAGYGMSSA-N 0 1 269.392 3.759 20 0 CHADMN CC[C@H](C)N(CCO)Cc1nc(C2CCCCC2)cs1 ZINC000347447065 529694445 /nfs/dbraw/zinc/69/44/45/529694445.db2.gz AZPZUJUHKJDPBW-ZDUSSCGKSA-N 0 1 296.480 3.784 20 0 CHADMN COCC1(NCc2cc(Cl)sc2Cl)CCC1 ZINC000312614127 260182908 /nfs/dbraw/zinc/18/29/08/260182908.db2.gz ZATIGOGZXYFVCA-UHFFFAOYSA-N 0 1 280.220 3.714 20 0 CHADMN CCc1ncc(CN2CC[C@H](C(F)(F)F)C2(C)C)s1 ZINC000347253685 529754426 /nfs/dbraw/zinc/75/44/26/529754426.db2.gz CXXPQGKJOMKLBI-JTQLQIEISA-N 0 1 292.370 3.868 20 0 CHADMN CCc1nc(CSC2CCC(C)(C)CC2)n[nH]1 ZINC000344445566 529741449 /nfs/dbraw/zinc/74/14/49/529741449.db2.gz IBDCFRGJNIOPNC-UHFFFAOYSA-N 0 1 253.415 3.569 20 0 CHADMN CN(CCC(F)(F)F)Cc1ccc2occc2c1 ZINC000347843238 529874552 /nfs/dbraw/zinc/87/45/52/529874552.db2.gz GELIUGPRRSGKTA-UHFFFAOYSA-N 0 1 257.255 3.817 20 0 CHADMN CN(Cc1cc(F)c(C(F)(F)F)cc1F)C1CCC1 ZINC000347076731 529978689 /nfs/dbraw/zinc/97/86/89/529978689.db2.gz NYRNVTCDJLABFB-UHFFFAOYSA-N 0 1 279.252 3.968 20 0 CHADMN CC(C)CC[C@@H](O)CN[C@H](c1ccco1)c1ccccc1 ZINC000573795707 334966412 /nfs/dbraw/zinc/96/64/12/334966412.db2.gz MOXWYDWHQPFZKY-AEFFLSMTSA-N 0 1 287.403 3.756 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000574279574 335006459 /nfs/dbraw/zinc/00/64/59/335006459.db2.gz LSEPSTKLXWTIJO-SJKOYZFVSA-N 0 1 297.402 3.675 20 0 CHADMN C[C@H](O)C[C@@H]1CCCCN1Cc1ncc(C(C)(C)C)s1 ZINC000448372796 261132233 /nfs/dbraw/zinc/13/22/33/261132233.db2.gz PHFCYALOJJWTHQ-STQMWFEESA-N 0 1 296.480 3.566 20 0 CHADMN Cc1oc(C[N@H+](C)Cc2cc(C)ccc2C)cc1C(=O)[O-] ZINC000574406468 335017257 /nfs/dbraw/zinc/01/72/57/335017257.db2.gz QHMADIUZFPJLAP-UHFFFAOYSA-N 0 1 287.359 3.535 20 0 CHADMN Fc1ccc(CN2CC[C@@H](c3cccnc3)C2)cc1Cl ZINC000574515787 335025531 /nfs/dbraw/zinc/02/55/31/335025531.db2.gz UNTZAEKBIJEERN-CQSZACIVSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1cccc2c1CC[C@@H]2NCc1ccc(-c2cc[nH]n2)o1 ZINC000574626432 335034553 /nfs/dbraw/zinc/03/45/53/335034553.db2.gz WZLUCCMUZPSKTO-INIZCTEOSA-N 0 1 293.370 3.755 20 0 CHADMN CCOc1ccc(CN2CC(C)(C)[C@@H]2C2CC2)cc1F ZINC000574676089 335038822 /nfs/dbraw/zinc/03/88/22/335038822.db2.gz UCTLDLQLUADPFC-INIZCTEOSA-N 0 1 277.383 3.845 20 0 CHADMN CSc1ccc(CN[C@@H](C)c2cncc(F)c2)s1 ZINC000352839928 532959784 /nfs/dbraw/zinc/95/97/84/532959784.db2.gz SGKNPMDCWPURTL-VIFPVBQESA-N 0 1 282.409 3.855 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](Cc1ccc(C(C)(C)C)cc1)C1CCC1 ZINC000574822872 335050614 /nfs/dbraw/zinc/05/06/14/335050614.db2.gz FSBGCCFRPICBAF-CYBMUJFWSA-N 0 1 289.419 3.812 20 0 CHADMN COc1cc([C@@H](C)NCc2sccc2Cl)ccn1 ZINC000347647731 533119841 /nfs/dbraw/zinc/11/98/41/533119841.db2.gz PDCPMTYBDLQSKX-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN CCC(CC)[N@@H+](CC)Cc1nc(C)c2ccccc2n1 ZINC000575021783 335056477 /nfs/dbraw/zinc/05/64/77/335056477.db2.gz LBPIVJMGGLEXHL-UHFFFAOYSA-N 0 1 271.408 3.949 20 0 CHADMN CC(C)(C)c1nc(CNC[C@H]2CCCC2(F)F)cs1 ZINC000390852506 262353309 /nfs/dbraw/zinc/35/33/09/262353309.db2.gz IMFMIJFOQCYSOU-SNVBAGLBSA-N 0 1 288.407 3.966 20 0 CHADMN Cc1noc([C@@H](C)N[C@H]2CCCC23CCCCC3)n1 ZINC000333600133 260047155 /nfs/dbraw/zinc/04/71/55/260047155.db2.gz VBQMOGGORAYMCH-YPMHNXCESA-N 0 1 263.385 3.532 20 0 CHADMN COCC[C@H](NCc1coc2ccccc12)c1ccco1 ZINC000355743874 533311630 /nfs/dbraw/zinc/31/16/30/533311630.db2.gz UFZFDUYOFRDLBK-HNNXBMFYSA-N 0 1 285.343 3.893 20 0 CHADMN COCC[C@H](NCc1ccccc1SC)c1ccco1 ZINC000347918537 533312857 /nfs/dbraw/zinc/31/28/57/533312857.db2.gz BBRZXPHNPIPZKE-AWEZNQCLSA-N 0 1 291.416 3.869 20 0 CHADMN COc1ccc(C)cc1CN(C)[C@@H](C)c1ccncc1 ZINC000354783507 533384850 /nfs/dbraw/zinc/38/48/50/533384850.db2.gz GRWOGFGZNKOVRT-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN COc1c(C)cc(CN(C)Cc2ccoc2C)cc1C ZINC000352670386 533398081 /nfs/dbraw/zinc/39/80/81/533398081.db2.gz FXFATNXXMOIPQN-UHFFFAOYSA-N 0 1 273.376 3.845 20 0 CHADMN C[C@@H](NCc1ccccc1F)c1ccc(-n2cccn2)cc1 ZINC000344581943 533459550 /nfs/dbraw/zinc/45/95/50/533459550.db2.gz QUZMFPMXBJFSPK-CQSZACIVSA-N 0 1 295.361 3.862 20 0 CHADMN C[C@@H](NCc1ccncc1)c1cc2cccc(F)c2o1 ZINC000353181031 533464767 /nfs/dbraw/zinc/46/47/67/533464767.db2.gz JFBCMYUZFQZGHY-LLVKDONJSA-N 0 1 270.307 3.818 20 0 CHADMN C[C@@H](NCc1cncc(F)c1)c1cc2cccc(F)c2o1 ZINC000347185105 533467331 /nfs/dbraw/zinc/46/73/31/533467331.db2.gz BULDQPWMINRLGE-SNVBAGLBSA-N 0 1 288.297 3.957 20 0 CHADMN CSC1(CN2CCc3ccc(F)c(F)c3C2)CCC1 ZINC000356135835 533483196 /nfs/dbraw/zinc/48/31/96/533483196.db2.gz LWHAFCVVXFDSIS-UHFFFAOYSA-N 0 1 283.387 3.609 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000353799734 533591106 /nfs/dbraw/zinc/59/11/06/533591106.db2.gz AAOLTNXONSALSJ-NWDGAFQWSA-N 0 1 298.521 3.841 20 0 CHADMN Cc1cc(CN2C[C@H](C)CC[C@@H]2c2ccccc2)nn1C ZINC000352803485 533633073 /nfs/dbraw/zinc/63/30/73/533633073.db2.gz OHASJURAYCKKNG-RDTXWAMCSA-N 0 1 283.419 3.702 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H](C)c1ccccc1F ZINC000353567702 533670402 /nfs/dbraw/zinc/67/04/02/533670402.db2.gz SHPQEUNEWGZWSR-ZETCQYMHSA-N 0 1 297.280 3.537 20 0 CHADMN O=C(Nc1ccc(F)c(C2CC2)c1)c1ccc2cncn2c1 ZINC000341764493 130028967 /nfs/dbraw/zinc/02/89/67/130028967.db2.gz BITZVPUBUYFIFW-UHFFFAOYSA-N 0 1 295.317 3.603 20 0 CHADMN Fc1ccc(CN[C@@H]2CCCc3cc(F)ccc32)nc1 ZINC000341842216 130086731 /nfs/dbraw/zinc/08/67/31/130086731.db2.gz UWRDTGOTIQRIPF-MRXNPFEDSA-N 0 1 274.314 3.527 20 0 CHADMN C[C@H]1CN(CCCCCF)[C@@H](c2ccccc2)CO1 ZINC000341887398 130112116 /nfs/dbraw/zinc/11/21/16/130112116.db2.gz HXRJSHIBWHJLTN-GOEBONIOSA-N 0 1 265.372 3.588 20 0 CHADMN Cc1ccccc1[C@@H](C)N(Cc1nccn1C)CC(C)C ZINC000342016784 130200936 /nfs/dbraw/zinc/20/09/36/130200936.db2.gz JYWJIJOUFIEHFC-MRXNPFEDSA-N 0 1 285.435 3.948 20 0 CHADMN Cc1oncc1CNC(C)(C)c1ccc(Cl)cc1 ZINC000342018681 130201385 /nfs/dbraw/zinc/20/13/85/130201385.db2.gz LOVSBWDVYSHIAY-UHFFFAOYSA-N 0 1 264.756 3.661 20 0 CHADMN Fc1ccc(CN2CCC[C@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000342025132 130206928 /nfs/dbraw/zinc/20/69/28/130206928.db2.gz UDCLRDBZVMKCBX-GJZGRUSLSA-N 0 1 283.774 3.623 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN1[C@H](C)CC[C@H]1C ZINC000342073317 130236226 /nfs/dbraw/zinc/23/62/26/130236226.db2.gz OYCFSVOZMJEAFU-VXGBXAGGSA-N 0 1 270.376 3.532 20 0 CHADMN Cc1nc2ccc(NC(=O)CC3(C)CCCC3)cc2[nH]1 ZINC000342079416 130242134 /nfs/dbraw/zinc/24/21/34/130242134.db2.gz DKSSHRWVIPOEBH-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN FC1(CCNCc2coc(-c3ccccc3)n2)CCC1 ZINC000342203084 130382163 /nfs/dbraw/zinc/38/21/63/130382163.db2.gz HCTXIZAOMZQULF-UHFFFAOYSA-N 0 1 274.339 3.714 20 0 CHADMN CC/C=C\CCN(C)Cc1nc2c(s1)CCCC2 ZINC000342206402 130383753 /nfs/dbraw/zinc/38/37/53/130383753.db2.gz RLSMSZQFMOYMDD-PLNGDYQASA-N 0 1 264.438 3.810 20 0 CHADMN CCOc1ccccc1[C@@H](CC(C)C)NCCF ZINC000342235117 130401347 /nfs/dbraw/zinc/40/13/47/130401347.db2.gz IMFCSMXYZILZJS-CQSZACIVSA-N 0 1 253.361 3.732 20 0 CHADMN Clc1ccccc1CNCc1ccc2[nH]cnc2c1 ZINC000521331852 260066576 /nfs/dbraw/zinc/06/65/76/260066576.db2.gz QIFVZLLRTBWLJU-UHFFFAOYSA-N 0 1 271.751 3.506 20 0 CHADMN Clc1ccccc1CNCc1ccc2nc[nH]c2c1 ZINC000521331852 260066577 /nfs/dbraw/zinc/06/65/77/260066577.db2.gz QIFVZLLRTBWLJU-UHFFFAOYSA-N 0 1 271.751 3.506 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3CCc4ccccc43)ccc12 ZINC000354998049 533673718 /nfs/dbraw/zinc/67/37/18/533673718.db2.gz VJSQCXTUFJQOLE-MRXNPFEDSA-N 0 1 291.354 3.540 20 0 CHADMN CCC[C@H]1CCC[N@H+]([C@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000575131251 335070656 /nfs/dbraw/zinc/07/06/56/335070656.db2.gz ZVFXHUGBUOXIMU-YPMHNXCESA-N 0 1 279.380 3.859 20 0 CHADMN Cc1nc(CSc2nc3ccc(C)cc3[nH]2)cs1 ZINC000006506660 170208057 /nfs/dbraw/zinc/20/80/57/170208057.db2.gz PJPAPEJRQMUSQD-UHFFFAOYSA-N 0 1 275.402 3.929 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1[C@H](C)CCC[C@H]1C ZINC000009997640 170393920 /nfs/dbraw/zinc/39/39/20/170393920.db2.gz LRXJRTBHEZDKOT-CHWSQXEVSA-N 0 1 294.826 3.850 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1CC(=O)Nc1ccc(Cl)cc1 ZINC000009997572 170394371 /nfs/dbraw/zinc/39/43/71/170394371.db2.gz DFTFKPPZLGJRKG-VXGBXAGGSA-N 0 1 280.799 3.541 20 0 CHADMN Cc1cc(C)cc(NC(=O)CN2[C@H](C)CCC[C@@H]2C)c1 ZINC000009997891 170394450 /nfs/dbraw/zinc/39/44/50/170394450.db2.gz QICDOXJYPZERQW-GASCZTMLSA-N 0 1 274.408 3.505 20 0 CHADMN C[C@H](NCc1ccc(Br)cc1)c1ccccn1 ZINC000020123194 171004318 /nfs/dbraw/zinc/00/43/18/171004318.db2.gz POUPCZYHWRKNIU-NSHDSACASA-N 0 1 291.192 3.695 20 0 CHADMN C[C@@H](NCc1cccnc1)c1ccccc1C(F)(F)F ZINC000020140795 171027531 /nfs/dbraw/zinc/02/75/31/171027531.db2.gz QQTBSMHPMWCIHT-LLVKDONJSA-N 0 1 280.293 3.951 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(F)c1)c1cccc(O)c1 ZINC000020147936 171034950 /nfs/dbraw/zinc/03/49/50/171034950.db2.gz AIOASTIPDLDQCQ-NWDGAFQWSA-N 0 1 259.324 3.943 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(F)c(Cl)c2)cn1 ZINC000020186486 171050082 /nfs/dbraw/zinc/05/00/82/171050082.db2.gz URYNYJGXPKJXCU-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN COc1cccc(CNCc2ccc(Cl)cc2)c1OC ZINC000020209858 171073087 /nfs/dbraw/zinc/07/30/87/171073087.db2.gz XSGNPBSWBXCNTN-UHFFFAOYSA-N 0 1 291.778 3.647 20 0 CHADMN C[C@@H](NCc1cccc(F)c1)c1ccc(F)cc1F ZINC000020305591 171142343 /nfs/dbraw/zinc/14/23/43/171142343.db2.gz KQQAFOMJEXQQOQ-SNVBAGLBSA-N 0 1 265.278 3.955 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccncc1)CCS2 ZINC000035043655 171947604 /nfs/dbraw/zinc/94/76/04/171947604.db2.gz WMFNDWRNSFHSEA-CQSZACIVSA-N 0 1 274.364 3.547 20 0 CHADMN C[C@H](NCc1ccc(Br)cc1)c1ccco1 ZINC000035136788 172003898 /nfs/dbraw/zinc/00/38/98/172003898.db2.gz JQAHPXSQCNPVGD-JTQLQIEISA-N 0 1 280.165 3.893 20 0 CHADMN c1c(CN[C@@H]2CCCc3ccccc32)nc2ccccn12 ZINC000035179727 172032698 /nfs/dbraw/zinc/03/26/98/172032698.db2.gz ZDBFZPNQRMWCDL-QGZVFWFLSA-N 0 1 277.371 3.502 20 0 CHADMN C[C@H](NCc1ccsc1)c1cc(F)ccc1F ZINC000035256253 172085962 /nfs/dbraw/zinc/08/59/62/172085962.db2.gz DGHBVSAEIRSBSA-VIFPVBQESA-N 0 1 253.317 3.877 20 0 CHADMN CN[C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000035465012 172212438 /nfs/dbraw/zinc/21/24/38/172212438.db2.gz GKERMZWLPPVIGN-AWEZNQCLSA-N 0 1 294.167 3.897 20 0 CHADMN Cc1ncc(CNCc2cccc(C(F)(F)F)c2)s1 ZINC000037505342 173240925 /nfs/dbraw/zinc/24/09/25/173240925.db2.gz ZYORACAEQWVNJZ-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN Fc1cccc(CNCc2ccc(Cl)c(F)c2)c1 ZINC000043388667 175032874 /nfs/dbraw/zinc/03/28/74/175032874.db2.gz DSUAEWZPLNHZLM-UHFFFAOYSA-N 0 1 267.706 3.908 20 0 CHADMN COc1cccc(-c2nc(CN3CCCC[C@H]3C)co2)c1 ZINC000072180753 176334793 /nfs/dbraw/zinc/33/47/93/176334793.db2.gz UBWOJOQHWUGLIC-CYBMUJFWSA-N 0 1 286.375 3.725 20 0 CHADMN CC[C@@H](O)[C@@H]1CCCCN1Cc1c(F)cccc1Cl ZINC000078724649 177376420 /nfs/dbraw/zinc/37/64/20/177376420.db2.gz DCBSTLMYLIACIN-LSDHHAIUSA-N 0 1 285.790 3.605 20 0 CHADMN COc1ccc(C)cc1CN[C@H](C)c1cccc(O)c1 ZINC000037151607 260071948 /nfs/dbraw/zinc/07/19/48/260071948.db2.gz PTMZRYOGVZYROK-CYBMUJFWSA-N 0 1 271.360 3.560 20 0 CHADMN C[C@H](NCc1ccc(F)c(F)c1)c1cccc(O)c1 ZINC000037150961 260071170 /nfs/dbraw/zinc/07/11/70/260071170.db2.gz PSZPRMABMRNQQN-JTQLQIEISA-N 0 1 263.287 3.521 20 0 CHADMN COCCN[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000179971674 260084558 /nfs/dbraw/zinc/08/45/58/260084558.db2.gz WXCBKTBQMYSRJZ-MRXNPFEDSA-N 0 1 293.769 3.805 20 0 CHADMN Cc1cc(CN[C@@H](CC2CCC2)c2ccccc2)ncn1 ZINC000344320860 225027173 /nfs/dbraw/zinc/02/71/73/225027173.db2.gz IRHVPKDNGVOXIO-SFHVURJKSA-N 0 1 281.403 3.806 20 0 CHADMN CCOc1ccccc1CN1CCCc2occc2C1 ZINC000344240535 225004556 /nfs/dbraw/zinc/00/45/56/225004556.db2.gz CXTWKGULAWNLHZ-UHFFFAOYSA-N 0 1 271.360 3.627 20 0 CHADMN Cc1cccc2ncc(CNC3(c4ccc(F)cc4)CC3)n21 ZINC000344278954 225013385 /nfs/dbraw/zinc/01/33/85/225013385.db2.gz YVIDYHQYYZCUFW-UHFFFAOYSA-N 0 1 295.361 3.561 20 0 CHADMN C[C@H](N[C@@H]1CCOc2c(F)cccc21)c1cccc(O)c1 ZINC000334756466 225309886 /nfs/dbraw/zinc/30/98/86/225309886.db2.gz PHONGCVMGCOCLR-MEDUHNTESA-N 0 1 287.334 3.706 20 0 CHADMN Nc1ccc2c(c1)CCC[C@H]2NCc1c(F)cccc1F ZINC000334856821 225338224 /nfs/dbraw/zinc/33/82/24/225338224.db2.gz SWFUVUONYYVNDX-QGZVFWFLSA-N 0 1 288.341 3.714 20 0 CHADMN C[C@]12CCN(Cc3cnc(C4CCC4)s3)C[C@H]1C2(F)F ZINC000334907013 225360756 /nfs/dbraw/zinc/36/07/56/225360756.db2.gz CYSNSUIJVWLXEO-OCCSQVGLSA-N 0 1 298.402 3.888 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](CCO)c2ccco2)cc(C)c1F ZINC000346515289 225820130 /nfs/dbraw/zinc/82/01/30/225820130.db2.gz BUMGSRQSKMASGZ-HIFRSBDPSA-N 0 1 291.366 3.810 20 0 CHADMN c1ccc2nc(CN3CCC[C@H]3c3cccnc3)ccc2c1 ZINC000346975936 226002903 /nfs/dbraw/zinc/00/29/03/226002903.db2.gz GKOJZEDQZZIZRX-IBGZPJMESA-N 0 1 289.382 3.967 20 0 CHADMN C[C@H](c1nc(-c2ccn3cncc3c2)no1)c1ccccc1 ZINC000347224412 226094064 /nfs/dbraw/zinc/09/40/64/226094064.db2.gz VLCQUJBWJSOKTG-LBPRGKRZSA-N 0 1 290.326 3.536 20 0 CHADMN Fc1cccc(F)c1C1CCN(CCOC2CCC2)CC1 ZINC000347258338 226102109 /nfs/dbraw/zinc/10/21/09/226102109.db2.gz XXDHIASOVZFPFT-UHFFFAOYSA-N 0 1 295.373 3.713 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cccc(C)n2)cc1 ZINC000347363638 226134697 /nfs/dbraw/zinc/13/46/97/226134697.db2.gz NBNHZRHHTRZJJC-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)N1CC[C@@H](C)[C@H](C)C1 ZINC000347585688 226209372 /nfs/dbraw/zinc/20/93/72/226209372.db2.gz HVACIXYUCDBBLG-IJLUTSLNSA-N 0 1 291.420 3.837 20 0 CHADMN CCn1cncc1CN1CCC[C@H]1c1ccc(C)s1 ZINC000417798715 226241033 /nfs/dbraw/zinc/24/10/33/226241033.db2.gz UKMNBUGTDVULJU-AWEZNQCLSA-N 0 1 275.421 3.610 20 0 CHADMN FC1(F)CCC12CN(Cc1coc3ccccc13)C2 ZINC000335677587 226538622 /nfs/dbraw/zinc/53/86/22/226538622.db2.gz TXVVSYJFHUYHPW-UHFFFAOYSA-N 0 1 263.287 3.664 20 0 CHADMN Cc1ccc(SCC(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000352626760 227119190 /nfs/dbraw/zinc/11/91/90/227119190.db2.gz PXGJNKWDUGTTQR-UHFFFAOYSA-N 0 1 297.383 3.602 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)[C@H]1CCCc2ccccc21 ZINC000352627688 227119340 /nfs/dbraw/zinc/11/93/40/227119340.db2.gz XDRIUOHHPGVPCX-HNNXBMFYSA-N 0 1 291.354 3.622 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)[C@@H]1CCCc2ccccc21 ZINC000352627689 227119659 /nfs/dbraw/zinc/11/96/59/227119659.db2.gz XDRIUOHHPGVPCX-OAHLLOKOSA-N 0 1 291.354 3.622 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1cccc(Cl)c1F ZINC000352625967 227119733 /nfs/dbraw/zinc/11/97/33/227119733.db2.gz KVOSXOIPRAKLQZ-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN Cc1nc2cccc(C(=O)NCC(C(C)C)C(C)C)c2[nH]1 ZINC000575198760 335080050 /nfs/dbraw/zinc/08/00/50/335080050.db2.gz XPCSDBHQVIZWMQ-UHFFFAOYSA-N 0 1 287.407 3.529 20 0 CHADMN C[C@H](Cc1ccccc1F)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000352628857 227125553 /nfs/dbraw/zinc/12/55/53/227125553.db2.gz CQZVAJBGAKGCGY-LLVKDONJSA-N 0 1 297.333 3.519 20 0 CHADMN Cc1cc(CN(C)Cc2ccoc2)c2ccccc2n1 ZINC000352644013 227133762 /nfs/dbraw/zinc/13/37/62/227133762.db2.gz OEKIHZSAVAJIRB-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1csc2ccccc12 ZINC000352717504 227186860 /nfs/dbraw/zinc/18/68/60/227186860.db2.gz PCTUVOADERLGMC-VXGBXAGGSA-N 0 1 288.416 3.713 20 0 CHADMN c1cnn(-c2ccncc2NCc2ccc3occc3c2)c1 ZINC000352730206 227193778 /nfs/dbraw/zinc/19/37/78/227193778.db2.gz BWQMJCJXYGCAKF-UHFFFAOYSA-N 0 1 290.326 3.626 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)c1occ2c1CCC2 ZINC000336627607 227221562 /nfs/dbraw/zinc/22/15/62/227221562.db2.gz VZKKBNIIFYGWFR-UHFFFAOYSA-N 0 1 295.697 3.519 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1ccc(CC)nc1 ZINC000352782461 227217879 /nfs/dbraw/zinc/21/78/79/227217879.db2.gz VFRODMQKYNLYHU-CQSZACIVSA-N 0 1 284.403 3.894 20 0 CHADMN c1sc([C@@H]2CN3CCC[C@@H]3CO2)nc1C1CCCCC1 ZINC000336632101 227224103 /nfs/dbraw/zinc/22/41/03/227224103.db2.gz HNXASRLBTIUUPQ-HIFRSBDPSA-N 0 1 292.448 3.727 20 0 CHADMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1conc1C ZINC000352820106 227256647 /nfs/dbraw/zinc/25/66/47/227256647.db2.gz YMRCVSQYHINEFV-XHDPSFHLSA-N 0 1 294.782 3.502 20 0 CHADMN Cc1cc(=O)[n-]c([C@@H](C)[NH2+][C@H](C)C(C)(C)c2ccccc2)n1 ZINC000192731060 227282074 /nfs/dbraw/zinc/28/20/74/227282074.db2.gz NGDKPMVZNOQWLV-ZIAGYGMSSA-N 0 1 299.418 3.508 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1cc(Br)cs1 ZINC000354990445 227291840 /nfs/dbraw/zinc/29/18/40/227291840.db2.gz CANBUECDARPAHT-RKDXNWHRSA-N 0 1 274.227 3.883 20 0 CHADMN Cc1cccc(C)c1[C@H](C)NCc1nccn1C(C)C ZINC000355036887 227332580 /nfs/dbraw/zinc/33/25/80/227332580.db2.gz PEURGCFYJIIFND-HNNXBMFYSA-N 0 1 271.408 3.932 20 0 CHADMN C[C@@H]1CCN(Cc2csc(Br)c2)[C@@H]1C ZINC000355119434 227393166 /nfs/dbraw/zinc/39/31/66/227393166.db2.gz XFERMIVLXYDCQL-RKDXNWHRSA-N 0 1 274.227 3.741 20 0 CHADMN CCn1cncc1CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000418067887 228000413 /nfs/dbraw/zinc/00/04/13/228000413.db2.gz PSTLTCBRJNCNIQ-CQSZACIVSA-N 0 1 289.810 3.546 20 0 CHADMN COC1(C(F)(F)F)CCN(C/C=C/c2ccccc2)CC1 ZINC000418089403 228024134 /nfs/dbraw/zinc/02/41/34/228024134.db2.gz IQKSJHFUFXAGSK-VMPITWQZSA-N 0 1 299.336 3.743 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1ccc2c(c1)OCCO2 ZINC000353408665 228097675 /nfs/dbraw/zinc/09/76/75/228097675.db2.gz UOJVHDDVEBMMCP-CQSZACIVSA-N 0 1 295.382 3.577 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(F)cc(F)c2)cc1O ZINC000353428542 228100694 /nfs/dbraw/zinc/10/06/94/228100694.db2.gz RJUBRSYMJLHZKI-SNVBAGLBSA-N 0 1 293.313 3.530 20 0 CHADMN COC1CCC(N(C)Cc2csc(C(C)(C)C)n2)CC1 ZINC000353474765 228107269 /nfs/dbraw/zinc/10/72/69/228107269.db2.gz VPTMHXASSXGSBW-UHFFFAOYSA-N 0 1 296.480 3.830 20 0 CHADMN CCc1nnc([C@H](C)N[C@H]2CCC[C@H]2c2ccccc2)o1 ZINC000331515971 228109425 /nfs/dbraw/zinc/10/94/25/228109425.db2.gz JQONQGZWOCILMU-QEJZJMRPSA-N 0 1 285.391 3.619 20 0 CHADMN Cc1ccc(CN[C@H]2COCc3ccccc32)c(C)c1 ZINC000418101529 228051181 /nfs/dbraw/zinc/05/11/81/228051181.db2.gz RYNGQIZKHKBTDT-SFHVURJKSA-N 0 1 267.372 3.665 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)[C@H]2Oc3ccccc3[C@H]2C)no1 ZINC000353252833 228075103 /nfs/dbraw/zinc/07/51/03/228075103.db2.gz KFLBGPQKAIPPGD-ZHRONYKTSA-N 0 1 286.375 3.587 20 0 CHADMN Cc1cc(CN[C@H]2CC=C(c3ccc(F)cc3)CC2)no1 ZINC000353334952 228087062 /nfs/dbraw/zinc/08/70/62/228087062.db2.gz HXDGJUSXNNPERH-INIZCTEOSA-N 0 1 286.350 3.848 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN(CCCO)Cc2ccccc2)o1 ZINC000353357112 228090136 /nfs/dbraw/zinc/09/01/36/228090136.db2.gz WGOXFTGUZYYUNG-YJBOKZPZSA-N 0 1 299.414 3.788 20 0 CHADMN Cc1nnc([C@H](C)NCC[C@H]2C[C@H](C)C[C@H](C)C2)s1 ZINC000353579387 228125577 /nfs/dbraw/zinc/12/55/77/228125577.db2.gz FTZYYNTTYKSVIM-KZVDOYCCSA-N 0 1 281.469 3.960 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc3cc[nH]c3n2)cc1F ZINC000353633364 228136198 /nfs/dbraw/zinc/13/61/98/228136198.db2.gz WWSIRYPAEMEOIF-NSHDSACASA-N 0 1 299.349 3.561 20 0 CHADMN Cc1nnc([C@H](C)NCC[C@@H]2CCC[C@@H](C)C2)s1 ZINC000353638416 228136631 /nfs/dbraw/zinc/13/66/31/228136631.db2.gz RHNXVVXGDZFXOM-MDZLAQPJSA-N 0 1 267.442 3.714 20 0 CHADMN c1cc2ccc(CN[C@H]3CCCc4sccc43)nc2[nH]1 ZINC000353633913 228137025 /nfs/dbraw/zinc/13/70/25/228137025.db2.gz XZVHINNHEFYLSU-AWEZNQCLSA-N 0 1 283.400 3.792 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](c2nccn2C)C2CC2)s1 ZINC000353882228 228162179 /nfs/dbraw/zinc/16/21/79/228162179.db2.gz RCTXRBQWDFDBCR-SMDDNHRTSA-N 0 1 275.421 3.592 20 0 CHADMN Cc1cc(C(=O)Nc2cc(Cl)c(O)cc2F)c(C)o1 ZINC000335955815 228169504 /nfs/dbraw/zinc/16/95/04/228169504.db2.gz XCCLTYGFDUIQTF-UHFFFAOYSA-N 0 1 283.686 3.647 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)c1cc[nH]c1C1CC1 ZINC000335955411 228169645 /nfs/dbraw/zinc/16/96/45/228169645.db2.gz LYSGKWAHZLLMQI-UHFFFAOYSA-N 0 1 294.713 3.643 20 0 CHADMN FCCCCN1CC=C(c2c(F)cccc2F)CC1 ZINC000351995505 228173087 /nfs/dbraw/zinc/17/30/87/228173087.db2.gz QIHVFWWQDINBCQ-UHFFFAOYSA-N 0 1 269.310 3.804 20 0 CHADMN FCCCCN(Cc1ccco1)Cc1ccco1 ZINC000352102420 228183406 /nfs/dbraw/zinc/18/34/06/228183406.db2.gz NNIIZUCUULQRPC-UHFFFAOYSA-N 0 1 251.301 3.625 20 0 CHADMN c1ccc(Oc2ccc(CN3CCCC4(CC4)C3)nn2)cc1 ZINC000352264046 228210794 /nfs/dbraw/zinc/21/07/94/228210794.db2.gz ATFYXMKBUAMQKF-UHFFFAOYSA-N 0 1 295.386 3.645 20 0 CHADMN CN(Cc1cnn2ccccc12)Cc1cccc(Cl)c1 ZINC000179645890 260060280 /nfs/dbraw/zinc/06/02/80/260060280.db2.gz DBGJNEABCDIGPA-UHFFFAOYSA-N 0 1 285.778 3.620 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc(O)c1)c1ccc2c(c1)OCO2 ZINC000036982030 260060320 /nfs/dbraw/zinc/06/03/20/260060320.db2.gz GJJLWJCVJJFGKP-VXGBXAGGSA-N 0 1 285.343 3.533 20 0 CHADMN C[N@H+](Cc1cnc(-c2ccccc2)[nH]1)CC1CCCC1 ZINC000179715856 260064444 /nfs/dbraw/zinc/06/44/44/260064444.db2.gz GDZXHKVBADVIOO-UHFFFAOYSA-N 0 1 269.392 3.699 20 0 CHADMN C[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)CC1CCCC1 ZINC000179715856 260064445 /nfs/dbraw/zinc/06/44/45/260064445.db2.gz GDZXHKVBADVIOO-UHFFFAOYSA-N 0 1 269.392 3.699 20 0 CHADMN CCCn1cc(CN(C)[C@H](C)c2ccc(F)cc2)cn1 ZINC000179802317 260072140 /nfs/dbraw/zinc/07/21/40/260072140.db2.gz XZFRHQGYPUMQKP-CYBMUJFWSA-N 0 1 275.371 3.625 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@H](C)c1ccccc1)CCO2 ZINC000037185898 260073430 /nfs/dbraw/zinc/07/34/30/260073430.db2.gz HSGPLHRVHVEBTF-CXAGYDPISA-N 0 1 283.371 3.870 20 0 CHADMN CC=CC=CC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179863260 260078294 /nfs/dbraw/zinc/07/82/94/260078294.db2.gz HXNAPGQPNMXFMH-MQQKCMAXSA-N 0 1 277.274 3.571 20 0 CHADMN CCOc1ncccc1CN[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000180080632 260091969 /nfs/dbraw/zinc/09/19/69/260091969.db2.gz MGHPHWAGWJQXNR-KBXCAEBGSA-N 0 1 296.414 3.812 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccccc2F)c1 ZINC000037486732 260110660 /nfs/dbraw/zinc/11/06/60/260110660.db2.gz QUTOVICFBSGEBG-LBPRGKRZSA-N 0 1 259.324 3.685 20 0 CHADMN Cc1ncc(CN[C@H](C)c2ccccc2OC(F)F)s1 ZINC000037505518 260113575 /nfs/dbraw/zinc/11/35/75/260113575.db2.gz SWBMHBKQPBYEMF-SECBINFHSA-N 0 1 298.358 3.904 20 0 CHADMN COc1ncccc1CN[C@H](C)c1cc(C)ccc1C ZINC000037650531 260115125 /nfs/dbraw/zinc/11/51/25/260115125.db2.gz OKIPQOFZUYCLOG-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN Fc1cc(Cl)ccc1CNCCOC1CCCC1 ZINC000160824734 260132364 /nfs/dbraw/zinc/13/23/64/260132364.db2.gz DEMONHAAPTXHIO-UHFFFAOYSA-N 0 1 271.763 3.528 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000070139895 260152234 /nfs/dbraw/zinc/15/22/34/260152234.db2.gz KPDVWHLXPKVPDS-VIFPVBQESA-N 0 1 299.296 3.816 20 0 CHADMN CC[C@H](NC(=O)c1n[nH]c2ccccc21)c1cccs1 ZINC000070287265 260156213 /nfs/dbraw/zinc/15/62/13/260156213.db2.gz ZFJGQJJMPUBDNH-NSHDSACASA-N 0 1 285.372 3.506 20 0 CHADMN CC(C)(C)[C@H](NCc1ccc(CO)o1)c1ccccc1 ZINC000077897839 260167456 /nfs/dbraw/zinc/16/74/56/260167456.db2.gz VNAAGDUXPNXENN-MRXNPFEDSA-N 0 1 273.376 3.649 20 0 CHADMN C[C@@H]1C[C@H](NCc2cc(Cl)sc2Cl)[C@@H](C)O1 ZINC000312600416 260172981 /nfs/dbraw/zinc/17/29/81/260172981.db2.gz KULFNXBXECWPGH-BHNWBGBOSA-N 0 1 280.220 3.710 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000079349332 260175604 /nfs/dbraw/zinc/17/56/04/260175604.db2.gz VTUNOVZLCRNOBP-OAHLLOKOSA-N 0 1 275.392 3.643 20 0 CHADMN c1ccc(SCCN2Cc3ccccc3C2)cc1 ZINC000079618877 260176116 /nfs/dbraw/zinc/17/61/16/260176116.db2.gz ICGODQKYIGXQOK-UHFFFAOYSA-N 0 1 255.386 3.795 20 0 CHADMN COc1ccc([C@H](C)NCc2sc(C)nc2C)cc1F ZINC000080692963 260181780 /nfs/dbraw/zinc/18/17/80/260181780.db2.gz FIMUEYMAEDHMDB-VIFPVBQESA-N 0 1 294.395 3.758 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809820 260210059 /nfs/dbraw/zinc/21/00/59/260210059.db2.gz XHUYNAJUHWXYFJ-QWHCGFSZSA-N 0 1 295.810 3.978 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(C)c(F)c2)cc1O ZINC000088511370 260233097 /nfs/dbraw/zinc/23/30/97/260233097.db2.gz REAIANLSDMYQGN-LBPRGKRZSA-N 0 1 289.350 3.699 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(F)cn2)cc1F ZINC000092196012 260267738 /nfs/dbraw/zinc/26/77/38/260267738.db2.gz YAKWKELGPORBGA-MNOVXSKESA-N 0 1 292.329 3.780 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccccn1)CCC2 ZINC000092383394 260269401 /nfs/dbraw/zinc/26/94/01/260269401.db2.gz ZRPHIDHDMRDVBY-UGSOOPFHSA-N 0 1 282.387 3.818 20 0 CHADMN c1cc(-c2noc(CN3CCC[C@H]4CCC[C@@H]43)n2)cs1 ZINC000075769040 260292164 /nfs/dbraw/zinc/29/21/64/260292164.db2.gz IDNCWUCDACKSSN-YPMHNXCESA-N 0 1 289.404 3.563 20 0 CHADMN CC(C)n1cc(CNC2(c3cccc(Cl)c3)CC2)cn1 ZINC000077467771 260297479 /nfs/dbraw/zinc/29/74/79/260297479.db2.gz XQEJTZZCCJIVOC-UHFFFAOYSA-N 0 1 289.810 3.896 20 0 CHADMN Cc1ncncc1[C@@H](C)NCc1ccc(C2CCC2)cc1 ZINC000517962629 260327302 /nfs/dbraw/zinc/32/73/02/260327302.db2.gz YVYROFAFCZRGNK-CYBMUJFWSA-N 0 1 281.403 3.903 20 0 CHADMN CCCOc1ccc(OCCN2Cc3ccccc3C2)cc1 ZINC000518003896 260333633 /nfs/dbraw/zinc/33/36/33/260333633.db2.gz VNDSHTYVODBUFB-UHFFFAOYSA-N 0 1 297.398 3.870 20 0 CHADMN CC[C@H](NCc1cccc2c1OCO2)c1ccc(F)cc1 ZINC000040667004 260340870 /nfs/dbraw/zinc/34/08/70/260340870.db2.gz ORBUPNAQFUPZCA-HNNXBMFYSA-N 0 1 287.334 3.795 20 0 CHADMN C[C@@H](N[C@H]1C[C@H](C)CC[C@@H]1C)c1nc(C(C)(C)C)no1 ZINC000449278970 260346227 /nfs/dbraw/zinc/34/62/27/260346227.db2.gz NHKIVYCTMHSCKC-XQHKEYJVSA-N 0 1 279.428 3.842 20 0 CHADMN C[C@@H]1C[C@H](Nc2ccnc3cc(C(F)(F)F)ccc32)CO1 ZINC000518176056 260349476 /nfs/dbraw/zinc/34/94/76/260349476.db2.gz QMMSLFGWZRMUTJ-KOLCDFICSA-N 0 1 296.292 3.843 20 0 CHADMN CC[C@@H](NCc1ccc2[nH]cnc2c1)c1nc(C)cs1 ZINC000518273777 260366625 /nfs/dbraw/zinc/36/66/25/260366625.db2.gz GEYOLRREXKPYPN-GFCCVEGCSA-N 0 1 286.404 3.569 20 0 CHADMN CC[C@@H](NCc1ccc2nc[nH]c2c1)c1nc(C)cs1 ZINC000518273777 260366627 /nfs/dbraw/zinc/36/66/27/260366627.db2.gz GEYOLRREXKPYPN-GFCCVEGCSA-N 0 1 286.404 3.569 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1cnccc1C ZINC000128478485 260374865 /nfs/dbraw/zinc/37/48/65/260374865.db2.gz BZGPQPLOFJLYPM-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN C/C=C\COc1ccc(CC[C@H](C)NC(CF)CF)cc1 ZINC000449380695 260471150 /nfs/dbraw/zinc/47/11/50/260471150.db2.gz OKOJZEVUXLGQOZ-NQHOJNORSA-N 0 1 297.389 3.860 20 0 CHADMN Cc1cc([C@H]([NH2+]Cc2cccs2)C(=O)[O-])ccc1Cl ZINC000426786430 260536482 /nfs/dbraw/zinc/53/64/82/260536482.db2.gz VLJWVZMCDAWZAU-ZDUSSCGKSA-N 0 1 295.791 3.625 20 0 CHADMN CC(C)c1ccc(C[NH2+][C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000426834070 260538370 /nfs/dbraw/zinc/53/83/70/260538370.db2.gz NKYDNYXDNUYWAQ-HNNXBMFYSA-N 0 1 289.400 3.787 20 0 CHADMN NC1(c2nc(-c3ccccc3Cl)no2)CCCCC1 ZINC000050438594 260689968 /nfs/dbraw/zinc/68/99/68/260689968.db2.gz GQNBUHGMPWLKIT-UHFFFAOYSA-N 0 1 277.755 3.508 20 0 CHADMN Cc1ccc(C)c(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000050925726 260770351 /nfs/dbraw/zinc/77/03/51/260770351.db2.gz PGADXHXISYIUCM-INIZCTEOSA-N 0 1 275.392 3.523 20 0 CHADMN Cc1cccc([C@@H](C)NC2(C(=O)Nc3ccccc3)CC2)c1 ZINC000427972860 260895171 /nfs/dbraw/zinc/89/51/71/260895171.db2.gz BWFXPPOCGZUBNF-OAHLLOKOSA-N 0 1 294.398 3.817 20 0 CHADMN Cc1ccccc1[C@@H](C)NC1(C(=O)Nc2ccccc2)CC1 ZINC000427988906 260900418 /nfs/dbraw/zinc/90/04/18/260900418.db2.gz QRTCGAURDUMXKC-OAHLLOKOSA-N 0 1 294.398 3.817 20 0 CHADMN CC[C@H](NCc1c(C)nn(C)c1C)c1ccc(Cl)s1 ZINC000151201297 260979021 /nfs/dbraw/zinc/97/90/21/260979021.db2.gz AZRCMTUUXYCNHU-LBPRGKRZSA-N 0 1 297.855 3.993 20 0 CHADMN c1csc(-c2ccc(CN3C[C@H]4CC[C@@H](C3)O4)cc2)c1 ZINC000444636761 261054867 /nfs/dbraw/zinc/05/48/67/261054867.db2.gz HFSXDKSUQAAYRO-IYBDPMFKSA-N 0 1 285.412 3.778 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnn(CC)c1)c1ccc(F)cc1F ZINC000151823308 261056106 /nfs/dbraw/zinc/05/61/06/261056106.db2.gz YEDPNAHAWNMQTB-MEDUHNTESA-N 0 1 293.361 3.983 20 0 CHADMN CCCCc1noc(CN(C)[C@@H]2CCCC[C@H]2CC)n1 ZINC000444673124 261062054 /nfs/dbraw/zinc/06/20/54/261062054.db2.gz HYEHGGIKEUKELV-ZIAGYGMSSA-N 0 1 279.428 3.813 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@H]2CCCc3occc32)cn1 ZINC000152277782 261062845 /nfs/dbraw/zinc/06/28/45/261062845.db2.gz JFLWOOZVUMCYMN-WFASDCNBSA-N 0 1 273.380 3.785 20 0 CHADMN c1csc(-c2nc(CN3C[C@@H]4CCC[C@@H]4C3)co2)c1 ZINC000152814977 261070033 /nfs/dbraw/zinc/07/00/33/261070033.db2.gz YGFLQVSFRCZEBD-TXEJJXNPSA-N 0 1 274.389 3.635 20 0 CHADMN COCc1ccc(CN2CCC[C@H]2c2ccsc2)o1 ZINC000153532396 261079729 /nfs/dbraw/zinc/07/97/29/261079729.db2.gz YQRJZFHREJINBA-HNNXBMFYSA-N 0 1 277.389 3.825 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1CCCOc2cc(C)ccc21 ZINC000153922470 261085074 /nfs/dbraw/zinc/08/50/74/261085074.db2.gz BEKCXGUKLPJMQH-MRXNPFEDSA-N 0 1 286.375 3.603 20 0 CHADMN CCc1nc2c(s1)[C@H](NCc1cccc(O)c1)CCC2 ZINC000154423044 261091668 /nfs/dbraw/zinc/09/16/68/261091668.db2.gz PWBGYQBDDHHXED-CYBMUJFWSA-N 0 1 288.416 3.578 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1Cc1ncc(C(C)(C)C)s1 ZINC000448333014 261116875 /nfs/dbraw/zinc/11/68/75/261116875.db2.gz RIGQSCBWNUJKGY-WDEREUQCSA-N 0 1 252.427 3.671 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000155330155 261100596 /nfs/dbraw/zinc/10/05/96/261100596.db2.gz WXPQLNXKQQRANX-NSHDSACASA-N 0 1 297.324 3.632 20 0 CHADMN Fc1ccc2c(c1)[C@@H](Sc1nc(C3CC3)n[nH]1)CCC2 ZINC000155370888 261101287 /nfs/dbraw/zinc/10/12/87/261101287.db2.gz IBYNDOXNIOWYNF-ZDUSSCGKSA-N 0 1 289.379 3.991 20 0 CHADMN Fc1ccc2c(c1)[C@@H](Sc1n[nH]c(C3CC3)n1)CCC2 ZINC000155370888 261101288 /nfs/dbraw/zinc/10/12/88/261101288.db2.gz IBYNDOXNIOWYNF-ZDUSSCGKSA-N 0 1 289.379 3.991 20 0 CHADMN COC[C@H](N[C@@H](C)CSC(C)(C)C)c1ccc(C)o1 ZINC000156443085 261122758 /nfs/dbraw/zinc/12/27/58/261122758.db2.gz BUMBSDHHPIFYEP-AAEUAGOBSA-N 0 1 285.453 3.785 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2cccs2)cc1O ZINC000157823761 261153085 /nfs/dbraw/zinc/15/30/85/261153085.db2.gz FLTQHUKCOUKDIO-NSHDSACASA-N 0 1 277.389 3.655 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1cnn(C(C)(C)C)c1 ZINC000157868589 261153900 /nfs/dbraw/zinc/15/39/00/261153900.db2.gz IYZGXODLDVONNQ-GFCCVEGCSA-N 0 1 277.437 3.893 20 0 CHADMN Cc1nc2ccccn2c1CN(C)Cc1ccc(F)c(C)c1 ZINC000444742475 261158389 /nfs/dbraw/zinc/15/83/89/261158389.db2.gz FTYCVLZKQLHJQO-UHFFFAOYSA-N 0 1 297.377 3.722 20 0 CHADMN C[C@@H](c1nc(Cc2ccccc2)no1)N1CCCCCC1 ZINC000158174820 261160148 /nfs/dbraw/zinc/16/01/48/261160148.db2.gz MSRGSTQSWGBDTB-AWEZNQCLSA-N 0 1 285.391 3.597 20 0 CHADMN Cc1ccoc1C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000158264892 261162414 /nfs/dbraw/zinc/16/24/14/261162414.db2.gz OXBRVLRRPHJZOC-UHFFFAOYSA-N 0 1 298.386 3.812 20 0 CHADMN C[C@H](N[C@@H]1CCCOc2ccccc21)c1ccccn1 ZINC000158913723 261173830 /nfs/dbraw/zinc/17/38/30/261173830.db2.gz IZQXUDKGPKVULX-XJKSGUPXSA-N 0 1 268.360 3.646 20 0 CHADMN CC[C@@H](NCc1cccc(OC)n1)c1ccc(Cl)cc1 ZINC000174023718 261176469 /nfs/dbraw/zinc/17/64/69/261176469.db2.gz HRMJXTLJHWONGZ-OAHLLOKOSA-N 0 1 290.794 3.985 20 0 CHADMN CC(C)(C)[C@H]1CCCN1Cc1ccc(Br)cn1 ZINC000514082753 261199379 /nfs/dbraw/zinc/19/93/79/261199379.db2.gz IJMNIGNBVMFRJZ-CYBMUJFWSA-N 0 1 297.240 3.855 20 0 CHADMN Cc1cnccc1CN[C@@H]1CCc2sc(Cl)cc21 ZINC000229662480 261211627 /nfs/dbraw/zinc/21/16/27/261211627.db2.gz PBDRJUOBCMZNPX-GFCCVEGCSA-N 0 1 278.808 3.882 20 0 CHADMN C[C@@H](NCc1ccnc(N2CCCCC2)c1)c1ccco1 ZINC000162465854 261282783 /nfs/dbraw/zinc/28/27/83/261282783.db2.gz JECFNTXXSIDPSB-CQSZACIVSA-N 0 1 285.391 3.516 20 0 CHADMN Clc1ccc([C@H](NCc2cc[nH]n2)C2CCC2)cc1 ZINC000105493734 261310896 /nfs/dbraw/zinc/31/08/96/261310896.db2.gz CYCIGNCFVVAFLE-OAHLLOKOSA-N 0 1 275.783 3.694 20 0 CHADMN CCCc1nc(CN(C)[C@@H](C)C2(C)CC2)cs1 ZINC000177243017 261341849 /nfs/dbraw/zinc/34/18/49/261341849.db2.gz ANRJCUDHLSVMSY-NSHDSACASA-N 0 1 252.427 3.716 20 0 CHADMN CCCc1nc(CN(CC2CC2)C2CCC2)cs1 ZINC000361583780 261350433 /nfs/dbraw/zinc/35/04/33/261350433.db2.gz MMHWPLKMFALFGG-UHFFFAOYSA-N 0 1 264.438 3.860 20 0 CHADMN COCCN(Cc1c(F)cccc1F)[C@H]1CC[C@H](C)C1 ZINC000361630730 261361046 /nfs/dbraw/zinc/36/10/46/261361046.db2.gz OAVQAXOWAJUIMB-STQMWFEESA-N 0 1 283.362 3.602 20 0 CHADMN CC[C@@H](NCc1cn2ccccc2n1)c1ccc(C)cc1 ZINC000105861809 261362543 /nfs/dbraw/zinc/36/25/43/261362543.db2.gz GJDUTTANBVQWLD-QGZVFWFLSA-N 0 1 279.387 3.884 20 0 CHADMN COc1ncccc1CN[C@@H]1CCCc2ccc(C)cc21 ZINC000166118976 261383397 /nfs/dbraw/zinc/38/33/97/261383397.db2.gz VPVPHBJBBUWAQV-QGZVFWFLSA-N 0 1 282.387 3.566 20 0 CHADMN Cc1nccc(NC[C@H](C)C(F)(F)F)c1Cl ZINC000309575264 261951309 /nfs/dbraw/zinc/95/13/09/261951309.db2.gz OSMVSNKMUCLJEJ-LURJTMIESA-N 0 1 252.667 3.654 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NCc1ccc(C(F)F)cc1 ZINC000183988425 262004022 /nfs/dbraw/zinc/00/40/22/262004022.db2.gz HKIHOXDTOZIHOJ-JTQLQIEISA-N 0 1 279.334 3.517 20 0 CHADMN Cc1cncc([C@@H](C)N[C@@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000184327015 262016628 /nfs/dbraw/zinc/01/66/28/262016628.db2.gz SQMWUAZGAUBNPS-MNEFBYGVSA-N 0 1 296.414 3.961 20 0 CHADMN Cc1cncc([C@H](C)N[C@@H]2CCCOc3ccccc32)c1 ZINC000184333918 262016943 /nfs/dbraw/zinc/01/69/43/262016943.db2.gz GKEDCGOLWXSZDU-WMLDXEAASA-N 0 1 282.387 3.955 20 0 CHADMN CCCC[C@H]1CCC[C@H]1NCc1csc(NC(C)=O)n1 ZINC000184702220 262026921 /nfs/dbraw/zinc/02/69/21/262026921.db2.gz JXAYQGPTMPPBOR-GXTWGEPZSA-N 0 1 295.452 3.550 20 0 CHADMN CCc1ccc(C2=CCN([C@H](C)c3cnccn3)CC2)cc1 ZINC000184710457 262027264 /nfs/dbraw/zinc/02/72/64/262027264.db2.gz YSFAVWNTLAMZKR-OAHLLOKOSA-N 0 1 293.414 3.889 20 0 CHADMN Cc1oc(C[N@H+](C)C[C@H](C)C2CCCCC2)cc1C(=O)[O-] ZINC000516657085 262028781 /nfs/dbraw/zinc/02/87/81/262028781.db2.gz SXMZCDHWQMXJJX-LBPRGKRZSA-N 0 1 293.407 3.934 20 0 CHADMN C[C@H]1CCCc2ccccc2[C@H]1NCc1cscn1 ZINC000185086628 262040511 /nfs/dbraw/zinc/04/05/11/262040511.db2.gz JCKHVQQWTHBNLO-LRDDRELGSA-N 0 1 272.417 3.946 20 0 CHADMN CCC[C@H](C)C[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000497179278 262061858 /nfs/dbraw/zinc/06/18/58/262061858.db2.gz KKYVTAGIUWIABG-HNNXBMFYSA-N 0 1 283.419 3.667 20 0 CHADMN CCC[C@H](C)CN1CCc2c(ncn2-c2ccccc2)C1 ZINC000497179278 262061860 /nfs/dbraw/zinc/06/18/60/262061860.db2.gz KKYVTAGIUWIABG-HNNXBMFYSA-N 0 1 283.419 3.667 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1cc(-c2ccco2)on1 ZINC000108864626 262064974 /nfs/dbraw/zinc/06/49/74/262064974.db2.gz DYOZVCAZKKFEEC-RYUDHWBXSA-N 0 1 260.337 3.698 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1cc(O)cc(F)c1 ZINC000186184889 262083354 /nfs/dbraw/zinc/08/33/54/262083354.db2.gz RTKSXEDSEFGWEU-SNVBAGLBSA-N 0 1 265.353 3.786 20 0 CHADMN C[N@@H+](CCCC(=O)[O-])CC(c1ccccc1)c1ccccc1 ZINC000318886239 262095636 /nfs/dbraw/zinc/09/56/36/262095636.db2.gz GIPAZCUFXCIPHR-UHFFFAOYSA-N 0 1 297.398 3.615 20 0 CHADMN Cc1cccc([C@H](C)N[C@H](CCO)c2ccco2)c1C ZINC000186510871 262096291 /nfs/dbraw/zinc/09/62/91/262096291.db2.gz SJPATQWNOKMBKS-GOEBONIOSA-N 0 1 273.376 3.671 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](CCO)c1ccco1)CCC2 ZINC000186527595 262097051 /nfs/dbraw/zinc/09/70/51/262097051.db2.gz DACVLBRGFVDQSX-DLBZAZTESA-N 0 1 285.387 3.679 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](CCO)c2ccco2)c(C)c1 ZINC000186544045 262098404 /nfs/dbraw/zinc/09/84/04/262098404.db2.gz BDQPVJWFQWJXFM-GOEBONIOSA-N 0 1 273.376 3.671 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccco1)c1ccc2c(c1)CCCC2 ZINC000186557118 262099167 /nfs/dbraw/zinc/09/91/67/262099167.db2.gz OVXBGPZZWQMBTN-KSSFIOAISA-N 0 1 299.414 3.933 20 0 CHADMN c1oc(-c2ccccc2)nc1CN1CCCC2(CC2)C1 ZINC000186611280 262101820 /nfs/dbraw/zinc/10/18/20/262101820.db2.gz YWDRWHAFLXPURH-UHFFFAOYSA-N 0 1 268.360 3.718 20 0 CHADMN Cc1ncc(CN2CCC(c3ccsc3)CC2)s1 ZINC000186950840 262118467 /nfs/dbraw/zinc/11/84/67/262118467.db2.gz SHZVDOAIYLDHRQ-UHFFFAOYSA-N 0 1 278.446 3.893 20 0 CHADMN C[C@H]1CCC[C@H](C(=O)Nc2cccc(Cl)c2O)C1 ZINC000525755938 262134717 /nfs/dbraw/zinc/13/47/17/262134717.db2.gz CAAOAKBKMQVCGT-UWVGGRQHSA-N 0 1 267.756 3.810 20 0 CHADMN C[C@@H]1CCC[C@H](N[C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000497409453 262157378 /nfs/dbraw/zinc/15/73/78/262157378.db2.gz XPGPAYSTXRLIBB-SKDZVZGDSA-N 0 1 299.393 3.873 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1ccc(OC)cc1 ZINC000019909234 262204637 /nfs/dbraw/zinc/20/46/37/262204637.db2.gz XYUAUCNHLWYZAI-AWEZNQCLSA-N 0 1 285.387 3.945 20 0 CHADMN CC1(C)CC[C@H]1NCc1c(F)cccc1Br ZINC000390529681 262207225 /nfs/dbraw/zinc/20/72/25/262207225.db2.gz IANGAERQDRRBRP-GFCCVEGCSA-N 0 1 286.188 3.866 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)N[C@H]2CCCc3occc32)c1 ZINC000120782610 262229758 /nfs/dbraw/zinc/22/97/58/262229758.db2.gz PHUBJANBPYINRO-SJCJKPOMSA-N 0 1 298.386 3.966 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H](C)c1cncc(F)c1 ZINC000221768214 262295776 /nfs/dbraw/zinc/29/57/76/262295776.db2.gz MZADYHWUPHUWRS-NEPJUHHUSA-N 0 1 274.339 3.641 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@@H](C)c1cncc(F)c1 ZINC000221768048 262295780 /nfs/dbraw/zinc/29/57/80/262295780.db2.gz MZADYHWUPHUWRS-NWDGAFQWSA-N 0 1 274.339 3.641 20 0 CHADMN CC(C)=CCN[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000188453518 262298207 /nfs/dbraw/zinc/29/82/07/262298207.db2.gz GCNXCTZVLWUXAV-NSHDSACASA-N 0 1 277.799 3.844 20 0 CHADMN CN(Cc1sc2ccccc2c1Cl)CC1(CO)CC1 ZINC000186818777 262325515 /nfs/dbraw/zinc/32/55/15/262325515.db2.gz LEKRXTOKDCQMPR-UHFFFAOYSA-N 0 1 295.835 3.759 20 0 CHADMN FC(F)COCCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000188624987 262329107 /nfs/dbraw/zinc/32/91/07/262329107.db2.gz ZWIJCNHHAWXAGV-ZDUSSCGKSA-N 0 1 289.753 3.759 20 0 CHADMN CC[N@@H+](CCCc1cccc2ccccc21)CCC(=O)[O-] ZINC000516657137 262343049 /nfs/dbraw/zinc/34/30/49/262343049.db2.gz VKWBJWGRLVLAEU-UHFFFAOYSA-N 0 1 285.387 3.569 20 0 CHADMN Cc1ccc2nc(CNC(=O)C[C@H]3CCCC[C@H]3C)[nH]c2c1 ZINC000525799432 262356443 /nfs/dbraw/zinc/35/64/43/262356443.db2.gz LZPVCKHKZQFFFO-ZIAGYGMSSA-N 0 1 299.418 3.704 20 0 CHADMN CC[C@@H](NCc1ccnc(C)c1)c1ccccc1OC ZINC000391200248 262388613 /nfs/dbraw/zinc/38/86/13/262388613.db2.gz QFMZBARRICCDKP-MRXNPFEDSA-N 0 1 270.376 3.640 20 0 CHADMN C[C@@H](NCc1cnn(Cc2ccccc2)c1)c1ccsc1 ZINC000061361200 262394759 /nfs/dbraw/zinc/39/47/59/262394759.db2.gz ZLUDJBPBXYCAPZ-CQSZACIVSA-N 0 1 297.427 3.844 20 0 CHADMN CCCCc1nc(CN[C@H](C)[C@](C)(OC)C2CC2)cs1 ZINC000411944578 262710381 /nfs/dbraw/zinc/71/03/81/262710381.db2.gz JYILRZZJFUGHKI-WBMJQRKESA-N 0 1 296.480 3.779 20 0 CHADMN CC[C@@H](N[C@H](C)c1cc2n(n1)CCC2)c1ccc(OC)cc1 ZINC000414065402 262800139 /nfs/dbraw/zinc/80/01/39/262800139.db2.gz ONEKNHLTXOLUSE-CXAGYDPISA-N 0 1 299.418 3.640 20 0 CHADMN CC(=O)Nc1ccc([C@@H](C)NCc2ccc(C)c(C)n2)cc1 ZINC000414174950 262814383 /nfs/dbraw/zinc/81/43/83/262814383.db2.gz YOKDBGVAPMDOEI-CQSZACIVSA-N 0 1 297.402 3.508 20 0 CHADMN Cc1occc1CNCc1ccc(C)cc1OCC1CC1 ZINC000414376143 262857265 /nfs/dbraw/zinc/85/72/65/262857265.db2.gz GVLZRJKJBHISFW-UHFFFAOYSA-N 0 1 285.387 3.975 20 0 CHADMN COc1cccc(Cl)c1CNCC(C)(C)OCC1CC1 ZINC000414519247 262978747 /nfs/dbraw/zinc/97/87/47/262978747.db2.gz WWZYGNBJMYFKIZ-UHFFFAOYSA-N 0 1 297.826 3.643 20 0 CHADMN CCOc1ccc(CN(Cc2cccnc2)C2CC2)cc1 ZINC000272545061 263006181 /nfs/dbraw/zinc/00/61/81/263006181.db2.gz LDHXQDNXFIKDSP-UHFFFAOYSA-N 0 1 282.387 3.645 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1c1nc([C@@H](N)CC(C)C)no1 ZINC000414614674 263010099 /nfs/dbraw/zinc/01/00/99/263010099.db2.gz HJZNNCAMABVVNL-AGIUHOORSA-N 0 1 265.401 3.799 20 0 CHADMN CC(C)C[C@@H](N)c1noc(/C=C/c2ccc(F)c(F)c2)n1 ZINC000414615920 263010999 /nfs/dbraw/zinc/01/09/99/263010999.db2.gz JHOPGSUCRHVLJZ-DIECRNLCSA-N 0 1 293.317 3.564 20 0 CHADMN CCc1ccccc1[C@@H]1C[C@H]1c1nc([C@@H](N)CC(C)C)no1 ZINC000414618795 263012426 /nfs/dbraw/zinc/01/24/26/263012426.db2.gz NFYFMMUEDACJSQ-XHSDSOJGSA-N 0 1 299.418 3.949 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cccc3ccsc32)n1 ZINC000414619299 263012875 /nfs/dbraw/zinc/01/28/75/263012875.db2.gz NUQZJMQSFMXYAZ-LBPRGKRZSA-N 0 1 287.388 3.997 20 0 CHADMN CC(C)Cc1ccc(/C=C\c2nc(C3(N)CCC3)no2)cc1 ZINC000414625448 263015888 /nfs/dbraw/zinc/01/58/88/263015888.db2.gz IGFSKBIBMLSEGB-HJWRWDBZSA-N 0 1 297.402 3.776 20 0 CHADMN NC1(c2noc([C@@H]3CCC[C@H]4CCCC[C@@H]43)n2)CCCC1 ZINC000414626583 263016529 /nfs/dbraw/zinc/01/65/29/263016529.db2.gz JYOHATBUEFXYKI-HZSPNIEDSA-N 0 1 289.423 3.872 20 0 CHADMN CCSc1ccc(-c2nc(C3(N)CCCC3)no2)cc1 ZINC000414627109 263016601 /nfs/dbraw/zinc/01/66/01/263016601.db2.gz YXKBGPRQCWNJGM-UHFFFAOYSA-N 0 1 289.404 3.577 20 0 CHADMN CC(C)C[C@H](N)c1noc(C2CC(C(C)(C)C)C2)n1 ZINC000414628546 263016984 /nfs/dbraw/zinc/01/69/84/263016984.db2.gz SKGBWPXJLKZLLR-MCIGGMRASA-N 0 1 265.401 3.655 20 0 CHADMN NC1(c2noc(CC3CC(c4ccccc4)C3)n2)CCCC1 ZINC000414631851 263017652 /nfs/dbraw/zinc/01/76/52/263017652.db2.gz YLQYQHAYKBGMCD-UHFFFAOYSA-N 0 1 297.402 3.534 20 0 CHADMN C[C@H](NCCOc1cccc(Cl)c1)c1ccncc1F ZINC000340198994 263090525 /nfs/dbraw/zinc/09/05/25/263090525.db2.gz QXIZFVJPQVFUJR-NSHDSACASA-N 0 1 294.757 3.604 20 0 CHADMN Cc1ncsc1CN1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000295068032 263171758 /nfs/dbraw/zinc/17/17/58/263171758.db2.gz QSHVHEDZDFXQFZ-SCZZXKLOSA-N 0 1 278.343 3.614 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](C)c2nccnc2C)cc1 ZINC000187683598 263265241 /nfs/dbraw/zinc/26/52/41/263265241.db2.gz WCRKOFCXGBHDSM-JSGCOSHPSA-N 0 1 269.392 3.759 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2nccnc2C)c(C)s1 ZINC000187727613 263266987 /nfs/dbraw/zinc/26/69/87/263266987.db2.gz RTDFBQITRQLUJA-PWSUYJOCSA-N 0 1 275.421 3.875 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2nccnc2C)c(C)s1 ZINC000187727655 263267316 /nfs/dbraw/zinc/26/73/16/263267316.db2.gz RTDFBQITRQLUJA-ZYHUDNBSSA-N 0 1 275.421 3.875 20 0 CHADMN CC[C@@H]1CN(Cc2cc(C)ccc2OC(F)F)CCCO1 ZINC000467561894 263268019 /nfs/dbraw/zinc/26/80/19/263268019.db2.gz HKASLVMMUKYGRL-CQSZACIVSA-N 0 1 299.361 3.597 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1ccc2ccccc2c1 ZINC000187851362 263272110 /nfs/dbraw/zinc/27/21/10/263272110.db2.gz IAKGVJNTMSIOSA-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCOC3(CCCCC3)C2)no1 ZINC000334308822 263572773 /nfs/dbraw/zinc/57/27/73/263572773.db2.gz IYABNYYDUUNFHL-ZIAGYGMSSA-N 0 1 278.396 3.516 20 0 CHADMN CC[C@H](NCc1nccn1CC(C)C)c1ccccc1 ZINC000164773489 263695204 /nfs/dbraw/zinc/69/52/04/263695204.db2.gz RWLZBNVADXAIBM-INIZCTEOSA-N 0 1 271.408 3.780 20 0 CHADMN CC(C)n1cncc1CN1CCSC2(CCCCC2)C1 ZINC000425340125 264007392 /nfs/dbraw/zinc/00/73/92/264007392.db2.gz VCRMWXIUJAQUEE-UHFFFAOYSA-N 0 1 293.480 3.716 20 0 CHADMN CCN(Cc1c[nH]c2ccccc12)Cc1cncn1C(C)C ZINC000425344424 264015558 /nfs/dbraw/zinc/01/55/58/264015558.db2.gz SZLOPNSZBQPWOY-UHFFFAOYSA-N 0 1 296.418 3.967 20 0 CHADMN CC(C)[C@H]1CCCC[C@H]1NCc1nc(C(C)(C)C)no1 ZINC000330913737 264076102 /nfs/dbraw/zinc/07/61/02/264076102.db2.gz RYZDXKLHPMSHQM-CHWSQXEVSA-N 0 1 279.428 3.672 20 0 CHADMN Cc1cc2[nH]c(CN3CC(CC(F)F)C3)cc2c(C)c1 ZINC000425365792 264211288 /nfs/dbraw/zinc/21/12/88/264211288.db2.gz MTLWQZMWHNPMCI-UHFFFAOYSA-N 0 1 278.346 3.872 20 0 CHADMN CC(C)n1cncc1CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000425367379 264211800 /nfs/dbraw/zinc/21/18/00/264211800.db2.gz HUONINGWWKGIAD-LBPRGKRZSA-N 0 1 289.345 3.628 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@@](CO)(C(C)C)C2)c(F)c1 ZINC000425366770 264211813 /nfs/dbraw/zinc/21/18/13/264211813.db2.gz GDRUDBJMLXTQEV-QGZVFWFLSA-N 0 1 297.389 3.504 20 0 CHADMN CC(C)n1cncc1CN1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000425368870 264213262 /nfs/dbraw/zinc/21/32/62/264213262.db2.gz KVLBZXXIFGRLGP-NEPJUHHUSA-N 0 1 289.345 3.627 20 0 CHADMN CO[C@H]1C[C@H]2C[C@@H](Nc3ccc4cnccc4c3)C[C@H]2C1 ZINC000425370165 264214466 /nfs/dbraw/zinc/21/44/66/264214466.db2.gz NNLBOMJSWQHGMB-LVYXFOGZSA-N 0 1 282.387 3.850 20 0 CHADMN CCOc1c(Cl)cccc1CN1CC[C@H](C)[C@@H](OC)C1 ZINC000425958784 264227166 /nfs/dbraw/zinc/22/71/66/264227166.db2.gz PCDFGCINOIASFH-WFASDCNBSA-N 0 1 297.826 3.596 20 0 CHADMN C[C@@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccccc1F ZINC000366806013 264235898 /nfs/dbraw/zinc/23/58/98/264235898.db2.gz SAJOHXSDVWPZQL-FZKQIMNGSA-N 0 1 284.378 3.663 20 0 CHADMN Cc1cc(NC[C@@H]2CCC[C@H](O)C2)c2cc(F)ccc2n1 ZINC000127156479 264241050 /nfs/dbraw/zinc/24/10/50/264241050.db2.gz UXOHMFPPOYMXQK-OCCSQVGLSA-N 0 1 288.366 3.645 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H](C)c1ccccc1N(C)C ZINC000188770298 264241914 /nfs/dbraw/zinc/24/19/14/264241914.db2.gz PSRQWKJVNRUULN-KGLIPLIRSA-N 0 1 299.418 3.568 20 0 CHADMN CN(Cc1nc(-c2ccco2)no1)C1CCC(C)(C)CC1 ZINC000127663769 264263928 /nfs/dbraw/zinc/26/39/28/264263928.db2.gz XGRQJVKOCQDNAS-UHFFFAOYSA-N 0 1 289.379 3.730 20 0 CHADMN C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000251129438 264270629 /nfs/dbraw/zinc/27/06/29/264270629.db2.gz TWFJJLSBUFIWCX-DTWKUNHWSA-N 0 1 290.190 3.707 20 0 CHADMN Cc1cnc(CCN(C)Cc2cc(F)ccc2Cl)s1 ZINC000189274117 264286742 /nfs/dbraw/zinc/28/67/42/264286742.db2.gz VIDMTRQVGSZVNR-UHFFFAOYSA-N 0 1 298.814 3.919 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1cc(C)ccc1C ZINC000189554728 264306988 /nfs/dbraw/zinc/30/69/88/264306988.db2.gz ULRCRDMLRYTHEU-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN C[C@H](NCCOCC(F)F)c1cccc(Cl)c1Cl ZINC000189849371 264334714 /nfs/dbraw/zinc/33/47/14/264334714.db2.gz QOTYFYGJGIJNHB-QMMMGPOBSA-N 0 1 298.160 3.926 20 0 CHADMN CN(Cc1nc(C(F)F)no1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000425478452 264348093 /nfs/dbraw/zinc/34/80/93/264348093.db2.gz PDQHKDYAWCXCEQ-VHSXEESVSA-N 0 1 287.354 3.654 20 0 CHADMN C[C@H](NCC1CCCC1)c1nc(C2CCCCC2)no1 ZINC000180084860 264390846 /nfs/dbraw/zinc/39/08/46/264390846.db2.gz IIGQAVYWNVPNOF-LBPRGKRZSA-N 0 1 277.412 3.958 20 0 CHADMN Cc1noc(C)c1CCN1CCc2cccc(Cl)c2C1 ZINC000335587314 265160079 /nfs/dbraw/zinc/16/00/79/265160079.db2.gz RABPVDQOLGZADU-UHFFFAOYSA-N 0 1 290.794 3.546 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc(C)c(C)n2)s1 ZINC000314699528 265178056 /nfs/dbraw/zinc/17/80/56/265178056.db2.gz CBWZPZJGXOBGDU-ZDUSSCGKSA-N 0 1 260.406 3.919 20 0 CHADMN Fc1cncc(CN[C@@H]2CCc3c2cccc3Cl)c1 ZINC000335829164 265219342 /nfs/dbraw/zinc/21/93/42/265219342.db2.gz HUOSNXSEFBOTHL-OAHLLOKOSA-N 0 1 276.742 3.651 20 0 CHADMN Cc1cnccc1CC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000518971034 265262124 /nfs/dbraw/zinc/26/21/24/265262124.db2.gz ULCDCSNNAYCXAM-KRWDZBQOSA-N 0 1 282.387 3.753 20 0 CHADMN CC[N@@H+](CCCc1ccccc1)C1CCC(C(=O)[O-])CC1 ZINC000519002237 265294129 /nfs/dbraw/zinc/29/41/29/265294129.db2.gz ZZKSOGUFTZLGBM-UHFFFAOYSA-N 0 1 289.419 3.585 20 0 CHADMN Cc1nc(CCN2CC[C@](F)(c3ccccc3)C2)cs1 ZINC000519003381 265294159 /nfs/dbraw/zinc/29/41/59/265294159.db2.gz KDLSTEAIAJCIOS-MRXNPFEDSA-N 0 1 290.407 3.565 20 0 CHADMN Cc1ccc(O)c(CN2CC(C)(C)[C@@H]2c2cccs2)n1 ZINC000519033668 265299627 /nfs/dbraw/zinc/29/96/27/265299627.db2.gz XTSJTQBBKDFNFX-HNNXBMFYSA-N 0 1 288.416 3.740 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000096465886 265367850 /nfs/dbraw/zinc/36/78/50/265367850.db2.gz JXJJTESSBFABIT-SECBINFHSA-N 0 1 296.317 3.744 20 0 CHADMN CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CC1 ZINC000519213338 265368026 /nfs/dbraw/zinc/36/80/26/265368026.db2.gz SFBCUQOFYKDZDB-UHFFFAOYSA-N 0 1 291.782 3.763 20 0 CHADMN C[C@@H](NCc1cn2cc(Cl)ccc2n1)c1ccccc1 ZINC000096543981 265373585 /nfs/dbraw/zinc/37/35/85/265373585.db2.gz RSRCTRFODUOZMS-GFCCVEGCSA-N 0 1 285.778 3.839 20 0 CHADMN CCCCc1noc([C@H](C)N[C@@H](CC)C(C)(C)C)n1 ZINC000519255980 265376809 /nfs/dbraw/zinc/37/68/09/265376809.db2.gz PLPCZAPSYNABSJ-RYUDHWBXSA-N 0 1 267.417 3.888 20 0 CHADMN Cc1cc(OCc2nc(C)c3ccccc3n2)cc(C)n1 ZINC000519303123 265391994 /nfs/dbraw/zinc/39/19/94/265391994.db2.gz NWLFVQURSOJECS-UHFFFAOYSA-N 0 1 279.343 3.529 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3cc(F)ccc32)nc1C ZINC000314741078 266002945 /nfs/dbraw/zinc/00/29/45/266002945.db2.gz HOQNPYRIRQVNIL-KRWDZBQOSA-N 0 1 270.351 3.615 20 0 CHADMN Cc1cccc(NC(=O)c2cc(-c3ccoc3)n[nH]2)c1C ZINC000514572844 266003081 /nfs/dbraw/zinc/00/30/81/266003081.db2.gz HXBQYPQVWKTLMW-UHFFFAOYSA-N 0 1 281.315 3.539 20 0 CHADMN COCc1nc(CNCCCC2CCCCC2)cs1 ZINC000356284289 266087129 /nfs/dbraw/zinc/08/71/29/266087129.db2.gz OOCQYSFNFHEZPM-UHFFFAOYSA-N 0 1 282.453 3.740 20 0 CHADMN CN(Cc1cscc1C(F)(F)F)[C@@H]1CC1(C)C ZINC000356399719 266107362 /nfs/dbraw/zinc/10/73/62/266107362.db2.gz SWZUMNXVSFEEIO-SNVBAGLBSA-N 0 1 263.328 3.997 20 0 CHADMN Cc1ccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1F ZINC000356517109 266129678 /nfs/dbraw/zinc/12/96/78/266129678.db2.gz BYUKGCGDAJFCBY-SJORKVTESA-N 0 1 289.394 3.668 20 0 CHADMN CSc1ccc(F)cc1CN[C@H](C)c1cccnc1 ZINC000356653264 266154875 /nfs/dbraw/zinc/15/48/75/266154875.db2.gz ALQHWKNUYNPCNX-LLVKDONJSA-N 0 1 276.380 3.793 20 0 CHADMN COCC[C@H](N[C@H]1CCc2c1cccc2C)c1ccco1 ZINC000356839477 266185579 /nfs/dbraw/zinc/18/55/79/266185579.db2.gz IUSRCMCFLZXZRD-IRXDYDNUSA-N 0 1 285.387 3.943 20 0 CHADMN COCC[C@@H](N[C@H]1CCc2c1cccc2C)c1ccco1 ZINC000356839473 266185762 /nfs/dbraw/zinc/18/57/62/266185762.db2.gz IUSRCMCFLZXZRD-DLBZAZTESA-N 0 1 285.387 3.943 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@@H](CCCO)c1ccccc1 ZINC000356846826 266187454 /nfs/dbraw/zinc/18/74/54/266187454.db2.gz JBJTVIBHKPAVOK-YJBOKZPZSA-N 0 1 298.430 3.808 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@H](CC)c1ccncc1 ZINC000356891722 266207393 /nfs/dbraw/zinc/20/73/93/266207393.db2.gz HEAOZTHWKJFBJV-CZUORRHYSA-N 0 1 269.392 3.841 20 0 CHADMN Cc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)s1 ZINC000356989505 266225559 /nfs/dbraw/zinc/22/55/59/266225559.db2.gz VFDGUVHMUOIZDO-UHFFFAOYSA-N 0 1 282.328 3.650 20 0 CHADMN C[C@H](c1cccs1)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000356986779 266225835 /nfs/dbraw/zinc/22/58/35/266225835.db2.gz PYBGOUDXKXXASM-SECBINFHSA-N 0 1 296.355 3.826 20 0 CHADMN Cc1cnc([C@H](C)N2CCC[C@H](CC(C)C)C2)o1 ZINC000357009424 266231640 /nfs/dbraw/zinc/23/16/40/266231640.db2.gz VTGRSKAWQWDEII-UONOGXRCSA-N 0 1 250.386 3.802 20 0 CHADMN Cc1cc(C(=O)CN(C)[C@H](C)C2CCC2)c(C)n1C1CC1 ZINC000357020342 266233713 /nfs/dbraw/zinc/23/37/13/266233713.db2.gz FNLYVOOUBUNIGY-CYBMUJFWSA-N 0 1 288.435 3.743 20 0 CHADMN C[C@H]1CCCN(Cc2ccn(C3CCCC3)n2)CC1 ZINC000357158092 266256667 /nfs/dbraw/zinc/25/66/67/266256667.db2.gz VMBUPCMXZMZVCP-AWEZNQCLSA-N 0 1 261.413 3.620 20 0 CHADMN Cc1nccc(NCc2ccc3ccccc3n2)c1Cl ZINC000357179826 266260812 /nfs/dbraw/zinc/26/08/12/266260812.db2.gz ANSUWOWXNJWDAB-UHFFFAOYSA-N 0 1 283.762 3.626 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1csc([C@H](C)OC)n1 ZINC000357550991 266322016 /nfs/dbraw/zinc/32/20/16/266322016.db2.gz JFOYMWCHAHZQMH-NTZNESFSSA-N 0 1 268.426 3.613 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1csc(N(C)C2CC2)n1 ZINC000357557206 266322998 /nfs/dbraw/zinc/32/29/98/266322998.db2.gz WKXQKPGIWOJIQG-WCQYABFASA-N 0 1 279.453 3.505 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1nc(-c2cccs2)no1 ZINC000357557775 266325482 /nfs/dbraw/zinc/32/54/82/266325482.db2.gz ZTOCAOGSHRKQQS-GHMZBOCLSA-N 0 1 277.393 3.561 20 0 CHADMN Fc1ccc(-c2cc(-c3nc(CCC4CC4)no3)[nH]n2)cc1 ZINC000357671472 266343924 /nfs/dbraw/zinc/34/39/24/266343924.db2.gz YNWWRPFAAPBKBF-UHFFFAOYSA-N 0 1 298.321 3.608 20 0 CHADMN CC[C@@H](NCc1ccoc1C)c1ccc2c(c1)OCCO2 ZINC000358022321 266399659 /nfs/dbraw/zinc/39/96/59/266399659.db2.gz OHYJMFWQNAOJTA-OAHLLOKOSA-N 0 1 287.359 3.600 20 0 CHADMN C[C@H]1CCCCCN1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000358241076 266443238 /nfs/dbraw/zinc/44/32/38/266443238.db2.gz NQTRRIKSFPTEJN-NSHDSACASA-N 0 1 289.404 3.543 20 0 CHADMN Fc1ccc([C@H](NCc2ccc(F)cn2)C2CC2)cc1 ZINC000359328448 266564929 /nfs/dbraw/zinc/56/49/29/266564929.db2.gz YXRDSIJJJFBPNJ-MRXNPFEDSA-N 0 1 274.314 3.601 20 0 CHADMN Oc1cccc2c1CCC[C@H]2NCc1cc(F)cc(F)c1 ZINC000361105494 266784506 /nfs/dbraw/zinc/78/45/06/266784506.db2.gz GVMYVFVQBWXZKS-MRXNPFEDSA-N 0 1 289.325 3.838 20 0 CHADMN CCOc1nnc(CN[C@@H]2CCCCC23CCCC3)s1 ZINC000361578187 266852437 /nfs/dbraw/zinc/85/24/37/266852437.db2.gz QDODXOUFIRZZJW-GFCCVEGCSA-N 0 1 295.452 3.529 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc3c(c1)CCO3)CO2 ZINC000362293046 266956464 /nfs/dbraw/zinc/95/64/64/266956464.db2.gz HIYWXVUKOFYPFF-SUMWQHHRSA-N 0 1 295.382 3.714 20 0 CHADMN Cc1cc(C)c2c(c1)CN(Cc1cccc(C)n1)CC2 ZINC000362581540 267010692 /nfs/dbraw/zinc/01/06/92/267010692.db2.gz RBANVYXEKZSWEA-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN C[C@@H](NCc1cc2ccc(F)cc2[nH]1)c1cncc(F)c1 ZINC000362929455 267062183 /nfs/dbraw/zinc/06/21/83/267062183.db2.gz DXHGISMFWVEPNI-SNVBAGLBSA-N 0 1 287.313 3.692 20 0 CHADMN COC(=O)c1ccc(CN[C@@H](C)c2ccc(C3CC3)cc2)o1 ZINC000418113703 267065425 /nfs/dbraw/zinc/06/54/25/267065425.db2.gz JQROYOMNLHAPQC-LBPRGKRZSA-N 0 1 299.370 3.794 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1nnc2n1CCCCC2 ZINC000362960110 267066817 /nfs/dbraw/zinc/06/68/17/267066817.db2.gz JKBWGNMVZBRKBH-OAHLLOKOSA-N 0 1 290.455 3.549 20 0 CHADMN Cc1cnc(CN2CCC[C@H]2CCC2CCCC2)o1 ZINC000362961553 267067526 /nfs/dbraw/zinc/06/75/26/267067526.db2.gz XLKQADGPFODYEX-HNNXBMFYSA-N 0 1 262.397 3.918 20 0 CHADMN Fc1cncc(CN2CCC(c3ccccc3)CC2)c1 ZINC000368493087 267177755 /nfs/dbraw/zinc/17/77/55/267177755.db2.gz HLSMDERXEBBUDS-UHFFFAOYSA-N 0 1 270.351 3.600 20 0 CHADMN COC[C@H]1CCCCN(Cc2ncc(C(C)C)s2)C1 ZINC000368658259 267194552 /nfs/dbraw/zinc/19/45/52/267194552.db2.gz ICMSUSMYQXBXSY-ZDUSSCGKSA-N 0 1 282.453 3.515 20 0 CHADMN COC[C@@H]1CCCCN(Cc2ncc(C(C)(C)C)s2)C1 ZINC000369103485 267221271 /nfs/dbraw/zinc/22/12/71/267221271.db2.gz XQNBAIRWZMFRHP-CYBMUJFWSA-N 0 1 296.480 3.689 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC(c2cn[nH]c2)CC1 ZINC000369232445 267227462 /nfs/dbraw/zinc/22/74/62/267227462.db2.gz YSMDULUDISCULV-LLVKDONJSA-N 0 1 291.345 3.629 20 0 CHADMN Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000370404217 267316699 /nfs/dbraw/zinc/31/66/99/267316699.db2.gz DMYMTLBPKQTJRI-INIZCTEOSA-N 0 1 289.810 3.719 20 0 CHADMN C[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1cnccn1 ZINC000119321518 267321590 /nfs/dbraw/zinc/32/15/90/267321590.db2.gz YHVOFRMNBGDVLJ-SJCJKPOMSA-N 0 1 285.366 3.808 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2nc3ccc(F)cc3o2)C1 ZINC000119521743 267343932 /nfs/dbraw/zinc/34/39/32/267343932.db2.gz WZVPYWCYFJSTKM-QWRGUYRKSA-N 0 1 262.328 3.587 20 0 CHADMN CC(C)c1nc(CN2C[C@H](C)[C@@H](C)[C@H]2C)cs1 ZINC000418134013 267359460 /nfs/dbraw/zinc/35/94/60/267359460.db2.gz OKPMLLXWZHPZSQ-QJPTWQEYSA-N 0 1 252.427 3.743 20 0 CHADMN CCn1cncc1CN[C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000418133384 267359643 /nfs/dbraw/zinc/35/96/43/267359643.db2.gz FVADZVBXGMRCPR-WBMJQRKESA-N 0 1 289.810 3.581 20 0 CHADMN Fc1cccc(CN2CCC(c3ccccn3)CC2)c1F ZINC000371324359 267390442 /nfs/dbraw/zinc/39/04/42/267390442.db2.gz WPCGDOMFTCJJJM-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN CC[C@H](C)CN(C)CC(=O)c1c(C)[nH]c2ccccc21 ZINC000303460988 267671392 /nfs/dbraw/zinc/67/13/92/267671392.db2.gz LMUQKHFAYRPOAS-LBPRGKRZSA-N 0 1 272.392 3.637 20 0 CHADMN CCC[N@@H+](CCc1cccc(F)c1)[C@H](CC(C)C)C(=O)[O-] ZINC000521447259 267801575 /nfs/dbraw/zinc/80/15/75/267801575.db2.gz VQJLRSAHWLYIHM-MRXNPFEDSA-N 0 1 295.398 3.580 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccccc1)c1ccc(F)c(F)c1 ZINC000304432796 267807430 /nfs/dbraw/zinc/80/74/30/267807430.db2.gz BKDPBIXFZMBLMM-YVEFUNNKSA-N 0 1 291.341 3.739 20 0 CHADMN Fc1ccc(CN2CCC(F)(c3cccnc3)CC2)cc1 ZINC000375282212 267843559 /nfs/dbraw/zinc/84/35/59/267843559.db2.gz QSWMDOQLNLIMPQ-UHFFFAOYSA-N 0 1 288.341 3.682 20 0 CHADMN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(C)[nH]n1 ZINC000123105062 268000155 /nfs/dbraw/zinc/00/01/55/268000155.db2.gz SNKXSFWGOVBDNZ-DOTOQJQBSA-N 0 1 297.402 3.517 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1nc(C(C)(C)C)cs1 ZINC000123249291 268018508 /nfs/dbraw/zinc/01/85/08/268018508.db2.gz CCNXFDFQQJXBAL-PHIMTYICSA-N 0 1 252.427 3.813 20 0 CHADMN Cc1cscc1C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000377188627 268054758 /nfs/dbraw/zinc/05/47/58/268054758.db2.gz MBHKJYAGOMSARH-UHFFFAOYSA-N 0 1 298.411 3.787 20 0 CHADMN Cc1cscc1C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000377188627 268054760 /nfs/dbraw/zinc/05/47/60/268054760.db2.gz MBHKJYAGOMSARH-UHFFFAOYSA-N 0 1 298.411 3.787 20 0 CHADMN Cc1nc(CNC2(c3ccccc3)CCCCC2)[nH]c1C ZINC000580096615 327697701 /nfs/dbraw/zinc/69/77/01/327697701.db2.gz KTNJQGPSKYUBEI-UHFFFAOYSA-N 0 1 283.419 3.976 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnn(C(C)C)c1)c1ccncc1 ZINC000163786459 327715429 /nfs/dbraw/zinc/71/54/29/327715429.db2.gz JGGNGPCHHSEBAF-XJKSGUPXSA-N 0 1 272.396 3.661 20 0 CHADMN F[C@@H]1CCCC[C@H]1NCc1csc(Br)c1 ZINC000378720236 327752904 /nfs/dbraw/zinc/75/29/04/327752904.db2.gz FQHYNBQHOPURFN-NXEZZACHSA-N 0 1 292.217 3.881 20 0 CHADMN C[C@H](N[C@H]1CCOc2ccc(F)cc21)c1cccc(O)c1 ZINC000178758139 327796342 /nfs/dbraw/zinc/79/63/42/327796342.db2.gz UMTGRUGXLHNJML-ZBEGNZNMSA-N 0 1 287.334 3.706 20 0 CHADMN CC(C)C1(NCc2ncc(Cl)cc2Cl)CC1 ZINC000382005613 327808838 /nfs/dbraw/zinc/80/88/38/327808838.db2.gz AVXDHSSJFZKRCW-UHFFFAOYSA-N 0 1 259.180 3.667 20 0 CHADMN CC[C@H](NCCOc1ccccc1)c1nc(C)cs1 ZINC000184401927 327827688 /nfs/dbraw/zinc/82/76/88/327827688.db2.gz ZATJRXYBOMZFFD-AWEZNQCLSA-N 0 1 276.405 3.571 20 0 CHADMN CC[C@@H](N[C@H](c1ccc(F)cc1)C(C)C)c1ccn(C)n1 ZINC000503887643 327869775 /nfs/dbraw/zinc/86/97/75/327869775.db2.gz RNQBZXFFWZNEPZ-WBVHZDCISA-N 0 1 289.398 3.997 20 0 CHADMN CC(C)(NCc1cccc(F)c1F)c1ccccc1 ZINC000388459042 327882464 /nfs/dbraw/zinc/88/24/64/327882464.db2.gz AQMLZXAJCJWQGT-UHFFFAOYSA-N 0 1 261.315 3.990 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H]1CCCc2cc(F)ccc21 ZINC000188293578 327913216 /nfs/dbraw/zinc/91/32/16/327913216.db2.gz UESVIWLRFRGCFN-LRDDRELGSA-N 0 1 285.366 3.652 20 0 CHADMN COc1cccc(CN[C@H](C)c2cccc(F)c2F)c1 ZINC000121926296 327923013 /nfs/dbraw/zinc/92/30/13/327923013.db2.gz YNKFXDYJGIMJSD-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN c1cc2c(c(CNCc3cccc(C4CC4)c3)c1)OCO2 ZINC000094519320 327954794 /nfs/dbraw/zinc/95/47/94/327954794.db2.gz KTLUDCNNDMOBIF-UHFFFAOYSA-N 0 1 281.355 3.583 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1ccc(OC)cc1F ZINC000571051970 327986619 /nfs/dbraw/zinc/98/66/19/327986619.db2.gz GEVNVZFBLUNEND-GFCCVEGCSA-N 0 1 288.366 3.643 20 0 CHADMN C[C@@H]1c2ccsc2CC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000563277512 328006602 /nfs/dbraw/zinc/00/66/02/328006602.db2.gz NIMVQVPKNVNVEO-SECBINFHSA-N 0 1 293.413 3.627 20 0 CHADMN C[C@@H]1c2ccsc2CC[N@@H+]1Cc1csc(C(=O)[O-])c1 ZINC000563277512 328006606 /nfs/dbraw/zinc/00/66/06/328006606.db2.gz NIMVQVPKNVNVEO-SECBINFHSA-N 0 1 293.413 3.627 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H](c2ccccc2)C(C)C)n1 ZINC000339390196 328009018 /nfs/dbraw/zinc/00/90/18/328009018.db2.gz JHVPWRXKMZBUMB-HUUCEWRRSA-N 0 1 287.407 3.903 20 0 CHADMN COC[C@H](CC(C)C)N[C@H](c1ccccc1)c1ccccn1 ZINC000531692766 328024839 /nfs/dbraw/zinc/02/48/39/328024839.db2.gz ABERWIKGJDXJTM-PKOBYXMFSA-N 0 1 298.430 3.822 20 0 CHADMN C[C@@H](O)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000540962211 328028473 /nfs/dbraw/zinc/02/84/73/328028473.db2.gz YHBIXVIXUFDTHP-PWSUYJOCSA-N 0 1 288.218 3.586 20 0 CHADMN CCc1cc(CN[C@H](C)c2ccc3c(c2)CCCC3)on1 ZINC000531721263 328028755 /nfs/dbraw/zinc/02/87/55/328028755.db2.gz XAQPTIAACOLFSA-CYBMUJFWSA-N 0 1 284.403 3.967 20 0 CHADMN C(=C\c1ccccc1)\CN1CCN(c2cccs2)CC1 ZINC000531816302 328038549 /nfs/dbraw/zinc/03/85/49/328038549.db2.gz HSFPDRVKCNBDRF-YWEYNIOJSA-N 0 1 284.428 3.584 20 0 CHADMN C[C@@H](NC[C@@H]1SCCc2ccccc21)c1cscn1 ZINC000534329038 328046153 /nfs/dbraw/zinc/04/61/53/328046153.db2.gz HQDGYJLGDHVINX-ABAIWWIYSA-N 0 1 290.457 3.824 20 0 CHADMN COc1ccc2oc(CN(C)Cc3cccc(O)c3)cc2c1 ZINC000534329854 328046205 /nfs/dbraw/zinc/04/62/05/328046205.db2.gz HMEJDUKPJVQWKN-UHFFFAOYSA-N 0 1 297.354 3.779 20 0 CHADMN Cc1ccc(CCC2CCN(Cc3cc[nH]n3)CC2)cc1 ZINC000534332813 328046600 /nfs/dbraw/zinc/04/66/00/328046600.db2.gz RIUIZYYYZQOTDJ-UHFFFAOYSA-N 0 1 283.419 3.563 20 0 CHADMN CC(C)Oc1ccc(CN(C)CCC(F)(F)F)cc1 ZINC000534349098 328047624 /nfs/dbraw/zinc/04/76/24/328047624.db2.gz NHHFQFSDJPXMLH-UHFFFAOYSA-N 0 1 275.314 3.858 20 0 CHADMN CC[C@H](NCc1c(C)noc1C)c1ccc(F)cc1 ZINC000110366499 328048917 /nfs/dbraw/zinc/04/89/17/328048917.db2.gz IDESWEMAPDIYGU-HNNXBMFYSA-N 0 1 262.328 3.671 20 0 CHADMN Cc1ccsc1CN1CCC[C@H](OCC(F)(F)F)C1 ZINC000534342257 328049795 /nfs/dbraw/zinc/04/97/95/328049795.db2.gz CXBVRWPJAIHSJW-NSHDSACASA-N 0 1 293.354 3.600 20 0 CHADMN Cc1csc(CN[C@H](C)c2cn3ccccc3n2)c1 ZINC000563419156 328063519 /nfs/dbraw/zinc/06/35/19/328063519.db2.gz SXZQBVAXJQSUQI-GFCCVEGCSA-N 0 1 271.389 3.555 20 0 CHADMN c1sc(C2CC2)nc1CN1CCC[C@@H](C2CC2)C1 ZINC000377523195 329017512 /nfs/dbraw/zinc/01/75/12/329017512.db2.gz HZNHCUOTSSVJQL-CYBMUJFWSA-N 0 1 262.422 3.643 20 0 CHADMN CN(Cc1ccccc1OC1CCCC1)[C@@H]1CCCOC1 ZINC000567148349 328075252 /nfs/dbraw/zinc/07/52/52/328075252.db2.gz NFMPNIHZTUXHKL-MRXNPFEDSA-N 0 1 289.419 3.619 20 0 CHADMN CC(C)Oc1ccc(CN2CC3(CCC3(F)F)C2)cc1 ZINC000571098995 328085471 /nfs/dbraw/zinc/08/54/71/328085471.db2.gz USVUEXIHCYIATO-UHFFFAOYSA-N 0 1 281.346 3.705 20 0 CHADMN CCC[N@@H+](CC1CCCCC1)CC1(CC(=O)[O-])CC1 ZINC000571217528 328092728 /nfs/dbraw/zinc/09/27/28/328092728.db2.gz JOTWNDKPKROTDW-UHFFFAOYSA-N 0 1 267.413 3.534 20 0 CHADMN CC[C@H](C)[N@@H+](C)Cc1cc(-c2cccs2)on1 ZINC000170915859 329072260 /nfs/dbraw/zinc/07/22/60/329072260.db2.gz VUOQKZYIYQNZMR-JTQLQIEISA-N 0 1 250.367 3.633 20 0 CHADMN C[N@@H+](CCC1CCCCC1)Cc1ccsc1C(=O)[O-] ZINC000571291615 328099784 /nfs/dbraw/zinc/09/97/84/328099784.db2.gz QYEIUGWJTNARLH-UHFFFAOYSA-N 0 1 281.421 3.849 20 0 CHADMN CC[C@H](C)N(C)Cc1cc(-c2cccs2)on1 ZINC000170915859 329072261 /nfs/dbraw/zinc/07/22/61/329072261.db2.gz VUOQKZYIYQNZMR-JTQLQIEISA-N 0 1 250.367 3.633 20 0 CHADMN CCc1cccc(CNCc2ccccc2OC)c1 ZINC000571290227 328099525 /nfs/dbraw/zinc/09/95/25/328099525.db2.gz LEAICPQLXBVMAF-UHFFFAOYSA-N 0 1 255.361 3.547 20 0 CHADMN CC(C)C[C@H](N[C@@H](C)c1ncc[nH]1)c1ccccc1 ZINC000139014835 328101523 /nfs/dbraw/zinc/10/15/23/328101523.db2.gz FQIQKCYPHCKEIG-ZFWWWQNUSA-N 0 1 257.381 3.848 20 0 CHADMN CC(C)(CC(F)F)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000412249474 328106367 /nfs/dbraw/zinc/10/63/67/328106367.db2.gz CSQFWJJTPIBIAR-UHFFFAOYSA-N 0 1 295.688 3.805 20 0 CHADMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)[O-])s2)C1 ZINC000571410492 328120086 /nfs/dbraw/zinc/12/00/86/328120086.db2.gz SSEBRSYVIHQFJI-WDEREUQCSA-N 0 1 299.461 3.552 20 0 CHADMN CC(C)CC[C@@H]1CC[C@@H](N[C@@H](C)c2csnn2)C1 ZINC000414303277 328153953 /nfs/dbraw/zinc/15/39/53/328153953.db2.gz NHJXCIHZDNGJSU-YNEHKIRRSA-N 0 1 267.442 3.794 20 0 CHADMN Fc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)c(Cl)c1 ZINC000266939738 328170638 /nfs/dbraw/zinc/17/06/38/328170638.db2.gz QZEJERYVPNEBJA-GFCCVEGCSA-N 0 1 293.773 3.582 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN2CCC(c3ccncn3)CC2)o1 ZINC000414470845 328184365 /nfs/dbraw/zinc/18/43/65/328184365.db2.gz NNKRQFMOVXFKPL-BBRMVZONSA-N 0 1 297.402 3.573 20 0 CHADMN COCc1ccc(CN[C@@H]2CCc3cc(C)ccc32)o1 ZINC000268796558 328186125 /nfs/dbraw/zinc/18/61/25/328186125.db2.gz OIBCLMJNXQXXOF-QGZVFWFLSA-N 0 1 271.360 3.512 20 0 CHADMN Cc1ccn2cc(CN[C@@H](C)c3ccccc3C)nc2c1 ZINC000268939074 328187190 /nfs/dbraw/zinc/18/71/90/328187190.db2.gz VEPWMGPERMBIPA-HNNXBMFYSA-N 0 1 279.387 3.802 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cnc(C)nc2C)cc1 ZINC000269017819 328188487 /nfs/dbraw/zinc/18/84/87/328188487.db2.gz OXZMYTMYNDWRKL-NWDGAFQWSA-N 0 1 285.391 3.514 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cnc(C)nc2C)cc1 ZINC000269017816 328188584 /nfs/dbraw/zinc/18/85/84/328188584.db2.gz OXZMYTMYNDWRKL-NEPJUHHUSA-N 0 1 285.391 3.514 20 0 CHADMN COc1ccc(CNC2(c3cccc(Cl)c3)CC2)cn1 ZINC000271859601 328198449 /nfs/dbraw/zinc/19/84/49/328198449.db2.gz ZCQPCUFIYQRNQA-UHFFFAOYSA-N 0 1 288.778 3.523 20 0 CHADMN CCN(Cc1ccc(Cl)cc1)[C@@H](C)c1cnccn1 ZINC000274243424 328210220 /nfs/dbraw/zinc/21/02/20/328210220.db2.gz DJIUESWKTPGNRX-LBPRGKRZSA-N 0 1 275.783 3.713 20 0 CHADMN CCC(CC)N(Cc1csc(NC(C)=O)n1)CC(C)C ZINC000177863983 329193469 /nfs/dbraw/zinc/19/34/69/329193469.db2.gz RRGNANAHBAPQHF-UHFFFAOYSA-N 0 1 297.468 3.748 20 0 CHADMN CC[C@@H](N[C@H](C)c1cc(C(=O)OC)co1)c1ccccc1 ZINC000278688418 328229428 /nfs/dbraw/zinc/22/94/28/328229428.db2.gz KGKSUHHXWRCWBG-IUODEOHRSA-N 0 1 287.359 3.868 20 0 CHADMN Fc1cc(CN[C@H](c2cccnc2)C2CC2)cc(F)c1F ZINC000340103377 328240534 /nfs/dbraw/zinc/24/05/34/328240534.db2.gz DJUREOXJYUNKBH-INIZCTEOSA-N 0 1 292.304 3.740 20 0 CHADMN Clc1cnc(CNCCCC2CCCC2)s1 ZINC000225305799 329250903 /nfs/dbraw/zinc/25/09/03/329250903.db2.gz QLXKIEIEBOUMLD-UHFFFAOYSA-N 0 1 258.818 3.857 20 0 CHADMN Cc1noc([C@H]2CCCN2CC[C@@H](C)c2ccccc2)n1 ZINC000289948834 328256932 /nfs/dbraw/zinc/25/69/32/328256932.db2.gz XRJLWORVWOMRIX-CZUORRHYSA-N 0 1 285.391 3.709 20 0 CHADMN CCc1nn(C)c(CC)c1CNc1ccc2cnccc2c1 ZINC000295892548 328287682 /nfs/dbraw/zinc/28/76/82/328287682.db2.gz BMUZLIGYLADLLB-UHFFFAOYSA-N 0 1 294.402 3.705 20 0 CHADMN CC[C@@H](N[C@H](C)c1nccnc1C)c1ccc(OC)cc1 ZINC000187698733 328300773 /nfs/dbraw/zinc/30/07/73/328300773.db2.gz CDBXELIZZGFKBN-CZUORRHYSA-N 0 1 285.391 3.596 20 0 CHADMN CCC1CCN([C@@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000048584389 328317604 /nfs/dbraw/zinc/31/76/04/328317604.db2.gz XCHSRAYGIQNICP-LBPRGKRZSA-N 0 1 294.826 3.789 20 0 CHADMN COc1ccc(C[C@H](C)CNc2cc(C)ccn2)cc1 ZINC000534629564 328328487 /nfs/dbraw/zinc/32/84/87/328328487.db2.gz KKUQSQSHNHWPPC-AWEZNQCLSA-N 0 1 270.376 3.689 20 0 CHADMN Cc1ccc2nc(-c3cnc(-c4ccccc4)nc3)[nH]c2c1 ZINC000534631576 328331462 /nfs/dbraw/zinc/33/14/62/328331462.db2.gz USGSYZYBDBNRKY-UHFFFAOYSA-N 0 1 286.338 3.995 20 0 CHADMN CCCc1nc(CN[C@H]2CCCC[C@H]2C(C)(C)C)no1 ZINC000111173939 328332661 /nfs/dbraw/zinc/33/26/61/328332661.db2.gz FWQCGTODGWKGLI-OLZOCXBDSA-N 0 1 279.428 3.717 20 0 CHADMN CN(Cc1ncc(-c2ccc(F)cc2)o1)CC1CCC1 ZINC000111297174 328345126 /nfs/dbraw/zinc/34/51/26/328345126.db2.gz YGHQIKBZLXFEFJ-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN CCc1cc(CN[C@@H](CC)c2ccc(C)cc2)on1 ZINC000531977045 328367916 /nfs/dbraw/zinc/36/79/16/328367916.db2.gz JTBRLGGABHKVGH-INIZCTEOSA-N 0 1 258.365 3.786 20 0 CHADMN Cc1ccc(CN(C)Cc2ccnc3ccccc23)o1 ZINC000535066426 328382987 /nfs/dbraw/zinc/38/29/87/328382987.db2.gz PDQSLLXBYCKYMV-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cscn2)[C@H]2CCCC[C@H]12 ZINC000535073510 328384447 /nfs/dbraw/zinc/38/44/47/328384447.db2.gz JMRSWVYVFSQQCS-BNOWGMLFSA-N 0 1 250.411 3.544 20 0 CHADMN COc1ccccc1CN(Cc1ccccn1)C(C)C ZINC000535082812 328385711 /nfs/dbraw/zinc/38/57/11/328385711.db2.gz WIAHUZCLPVEXGT-UHFFFAOYSA-N 0 1 270.376 3.501 20 0 CHADMN COc1ccc(CN2C[C@@H](C)S[C@H](C)C2)c(Cl)c1 ZINC000535085186 328386284 /nfs/dbraw/zinc/38/62/84/328386284.db2.gz AIXAFYQLZZIYKH-GHMZBOCLSA-N 0 1 285.840 3.674 20 0 CHADMN C[C@@H](NCc1ccccc1CO)c1ccc(Cl)s1 ZINC000305153634 328394660 /nfs/dbraw/zinc/39/46/60/328394660.db2.gz UZSGXDJVEYQPRQ-SNVBAGLBSA-N 0 1 281.808 3.745 20 0 CHADMN Cc1cncc([C@@H](C)N[C@H](C)c2cnn(C(C)C)c2)c1 ZINC000546645942 328395864 /nfs/dbraw/zinc/39/58/64/328395864.db2.gz UYRVSUXPRWBHLF-ZIAGYGMSSA-N 0 1 272.396 3.579 20 0 CHADMN CCc1cnc(CNC[C@@H]2CCCCC2(F)F)s1 ZINC000394920643 328410954 /nfs/dbraw/zinc/41/09/54/328410954.db2.gz VMEQCAHXEBBHLQ-JTQLQIEISA-N 0 1 274.380 3.621 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2ccc3ccccc3c2)n1 ZINC000342020275 328416148 /nfs/dbraw/zinc/41/61/48/328416148.db2.gz HCLPOOBSGYHDQV-HNNXBMFYSA-N 0 1 281.359 3.936 20 0 CHADMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(O)cc(F)c2)C1 ZINC000186262683 329340929 /nfs/dbraw/zinc/34/09/29/329340929.db2.gz IJXLDZRIUABMJH-UKRRQHHQSA-N 0 1 283.412 3.637 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccccc2F)[C@@H](C)O)c(C)c1 ZINC000575321877 335093427 /nfs/dbraw/zinc/09/34/27/335093427.db2.gz MJZYSPWJVLUTHD-RDTXWAMCSA-N 0 1 287.378 3.654 20 0 CHADMN COc1ccc(CCCNCc2ncc(Cl)s2)cc1 ZINC000349668787 328602572 /nfs/dbraw/zinc/60/25/72/328602572.db2.gz OBUAGGDZGSQGFB-UHFFFAOYSA-N 0 1 296.823 3.528 20 0 CHADMN Cc1ccc2sc(CN3CCC4(CC4)CC3)nc2c1 ZINC000528433144 326877758 /nfs/dbraw/zinc/87/77/58/326877758.db2.gz NYVNXKPYVWIPQO-UHFFFAOYSA-N 0 1 272.417 3.981 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@H](c1ccccc1F)[C@H](C)O ZINC000584058060 326911441 /nfs/dbraw/zinc/91/14/41/326911441.db2.gz HIQBHQQHFKFEBZ-HUBLWGQQSA-N 0 1 293.407 3.968 20 0 CHADMN CCc1cc(CN[C@H](CC)c2cccc(C)c2)on1 ZINC000556870226 326976037 /nfs/dbraw/zinc/97/60/37/326976037.db2.gz GCDWDXXWUYQNLR-MRXNPFEDSA-N 0 1 258.365 3.786 20 0 CHADMN Cc1nc2cc(N[C@H]3CC[C@@H]3C(C)C)ccc2n1C ZINC000556890889 326979448 /nfs/dbraw/zinc/97/94/48/326979448.db2.gz ZHPLCVYZZSJTMR-KGLIPLIRSA-N 0 1 257.381 3.728 20 0 CHADMN FC1(F)CC(NCc2cccc(Cl)c2Cl)C1 ZINC000277681890 326993106 /nfs/dbraw/zinc/99/31/06/326993106.db2.gz PRDYTHZFRWFDFN-UHFFFAOYSA-N 0 1 266.118 3.881 20 0 CHADMN OC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000339753242 327014711 /nfs/dbraw/zinc/01/47/11/327014711.db2.gz KPGHNEZESVEJJA-LLVKDONJSA-N 0 1 288.218 3.588 20 0 CHADMN OC[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000339753242 327014712 /nfs/dbraw/zinc/01/47/12/327014712.db2.gz KPGHNEZESVEJJA-LLVKDONJSA-N 0 1 288.218 3.588 20 0 CHADMN CC[C@H](C)CN(CC)Cc1cc(C(C)(C)C)on1 ZINC000568803864 327017298 /nfs/dbraw/zinc/01/72/98/327017298.db2.gz YUCHYIVFLPAYKE-LBPRGKRZSA-N 0 1 252.402 3.840 20 0 CHADMN CC(C)=CCC[C@H](C)CC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000568866412 327020294 /nfs/dbraw/zinc/02/02/94/327020294.db2.gz AIVJTTUNOMBRDZ-KBPBESRZSA-N 0 1 291.439 3.538 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@H]1CC[C@@H]1C ZINC000557753036 327024895 /nfs/dbraw/zinc/02/48/95/327024895.db2.gz INYQCIDZDDEBRK-CABZTGNLSA-N 0 1 260.312 3.593 20 0 CHADMN O=C(CC[N@@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000088435961 327025310 /nfs/dbraw/zinc/02/53/10/327025310.db2.gz SHWHTPRLVSSBRO-CYBMUJFWSA-N 0 1 285.309 3.534 20 0 CHADMN O=C(CCN1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000088435961 327025312 /nfs/dbraw/zinc/02/53/12/327025312.db2.gz SHWHTPRLVSSBRO-CYBMUJFWSA-N 0 1 285.309 3.534 20 0 CHADMN Cc1ncsc1CNC1(c2ccc(Cl)cc2)CC1 ZINC000557790434 327027155 /nfs/dbraw/zinc/02/71/55/327027155.db2.gz QBVFQTUYNRWNFU-UHFFFAOYSA-N 0 1 278.808 3.884 20 0 CHADMN Cc1ccc2nc(NC(=O)c3ccc(C)c(C)c3)[nH]c2c1 ZINC000557815600 327028571 /nfs/dbraw/zinc/02/85/71/327028571.db2.gz PNHHREKPXULQEL-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN COc1ccc(CNC/C=C\c2ccccc2)c(F)c1 ZINC000557831317 327029922 /nfs/dbraw/zinc/02/99/22/327029922.db2.gz YEZGDTOJGIFRCN-YVMONPNESA-N 0 1 271.335 3.637 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2cncnc2C)ccc1F ZINC000576479008 327033456 /nfs/dbraw/zinc/03/34/56/327033456.db2.gz KEIKBGYHFAPVSN-DGCLKSJQSA-N 0 1 273.355 3.644 20 0 CHADMN CC[C@]1(C)C[C@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000557962082 327037905 /nfs/dbraw/zinc/03/79/05/327037905.db2.gz WIGKQCKKTDJCFU-WPPNPWJKSA-N 0 1 271.719 3.559 20 0 CHADMN CC(C)c1ccc(C[N@@H+](C)CCOC2CCC2)cc1 ZINC000558088284 327067540 /nfs/dbraw/zinc/06/75/40/327067540.db2.gz VCEQZQDRZPFMHF-UHFFFAOYSA-N 0 1 261.409 3.811 20 0 CHADMN CC(C)(C)OCc1cc(CN[C@H]2CC[C@H]2C(C)(C)C)no1 ZINC000558256460 327083268 /nfs/dbraw/zinc/08/32/68/327083268.db2.gz IVALIZLWSVYNSY-CABCVRRESA-N 0 1 294.439 3.904 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H]1CCc3cc(F)ccc31)CO2 ZINC000537958103 327088961 /nfs/dbraw/zinc/08/89/61/327088961.db2.gz HROYXECCZVDVEO-DLBZAZTESA-N 0 1 283.346 3.845 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CCOC[C@H]1[C@H]1CCCO1 ZINC000558412414 327092089 /nfs/dbraw/zinc/09/20/89/327092089.db2.gz ZBYRXYUDHGEAIE-OKZBNKHCSA-N 0 1 295.467 3.639 20 0 CHADMN C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(Cl)cs1 ZINC000558410782 327092127 /nfs/dbraw/zinc/09/21/27/327092127.db2.gz CCSLWVWYHKLKEF-WCQYABFASA-N 0 1 287.856 3.917 20 0 CHADMN CC[C@@H](C)C[N@@H+](CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000577232337 327104780 /nfs/dbraw/zinc/10/47/80/327104780.db2.gz AAMHZQWSROVWTA-HIFRSBDPSA-N 0 1 263.381 3.570 20 0 CHADMN CSc1ccc(CN2CC[C@@H](OCC(C)C)C2)s1 ZINC000558569735 327107134 /nfs/dbraw/zinc/10/71/34/327107134.db2.gz PGGUYZTVTGOZNY-GFCCVEGCSA-N 0 1 285.478 3.717 20 0 CHADMN CC(C)[C@H](N[C@@H]1CC[C@@H]1C1CCC1)c1nc(C2CC2)no1 ZINC000558699228 327115512 /nfs/dbraw/zinc/11/55/12/327115512.db2.gz DSLYHBGTRONVAL-KFWWJZLASA-N 0 1 289.423 3.812 20 0 CHADMN CC[C@H](F)CN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000558740439 327118834 /nfs/dbraw/zinc/11/88/34/327118834.db2.gz JOZAJKLSAWWJBB-QWRGUYRKSA-N 0 1 267.310 3.789 20 0 CHADMN CC1(C)SC[C@H]1NCc1csc(-c2ccccc2)n1 ZINC000558789472 327120559 /nfs/dbraw/zinc/12/05/59/327120559.db2.gz HLBPKPQGHKUGGP-CYBMUJFWSA-N 0 1 290.457 3.794 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cscn1 ZINC000162349663 327124255 /nfs/dbraw/zinc/12/42/55/327124255.db2.gz LKWZIDKQSRLVFQ-KXUCPTDWSA-N 0 1 278.343 3.915 20 0 CHADMN FC(F)O[C@H]1CC[N@@H+](CCCc2ccccc2Cl)C1 ZINC000558864535 327127879 /nfs/dbraw/zinc/12/78/79/327127879.db2.gz XDTDYYZWCSNQMC-LBPRGKRZSA-N 0 1 289.753 3.586 20 0 CHADMN FC(F)O[C@H]1CCN(CCCc2ccccc2Cl)C1 ZINC000558864535 327127881 /nfs/dbraw/zinc/12/78/81/327127881.db2.gz XDTDYYZWCSNQMC-LBPRGKRZSA-N 0 1 289.753 3.586 20 0 CHADMN CC(C)=CCNC1(c2nc(C)cs2)CCCC1 ZINC000083215612 327147757 /nfs/dbraw/zinc/14/77/57/327147757.db2.gz HTSLRJBRGGQHIO-UHFFFAOYSA-N 0 1 250.411 3.777 20 0 CHADMN Cc1cc(C)c([C@H](C)N2CC[C@H](C)[S@@](=O)CC2)c(C)c1 ZINC000559281653 327154522 /nfs/dbraw/zinc/15/45/22/327154522.db2.gz LCUHYOAIZQLTCE-FTRWYGJKSA-N 0 1 293.476 3.516 20 0 CHADMN Cc1cc([C@H](C)[N@@H+](C)CCc2ccccc2)oc1C(=O)[O-] ZINC000518546755 327173407 /nfs/dbraw/zinc/17/34/07/327173407.db2.gz OPZNKTAQCRQPPN-ZDUSSCGKSA-N 0 1 287.359 3.522 20 0 CHADMN Cc1c(C)c(C)c(C[N@H+](CC(=O)[O-])CC(C)C)c(C)c1C ZINC000518546695 327173442 /nfs/dbraw/zinc/17/34/42/327173442.db2.gz MYWXMZCZDSDUMY-UHFFFAOYSA-N 0 1 291.435 3.771 20 0 CHADMN CC(C)n1cc(C[N@H+]2CCC[C@@H]2CC2CCCCC2)nn1 ZINC000569410188 327173941 /nfs/dbraw/zinc/17/39/41/327173941.db2.gz LBAQCKRTKMRQFO-QGZVFWFLSA-N 0 1 290.455 3.794 20 0 CHADMN CC(C)n1cc(CN2CCC[C@@H]2CC2CCCCC2)nn1 ZINC000569410188 327173942 /nfs/dbraw/zinc/17/39/42/327173942.db2.gz LBAQCKRTKMRQFO-QGZVFWFLSA-N 0 1 290.455 3.794 20 0 CHADMN C[C@H](NC1CC(C)(C)C1)c1ncc(Br)s1 ZINC000518565648 327175766 /nfs/dbraw/zinc/17/57/66/327175766.db2.gz GXWAGAGLWLSIEB-ZETCQYMHSA-N 0 1 289.242 3.745 20 0 CHADMN CC(C)[C@@H]1CCC[C@@H](NCc2ncn(-c3ccccc3)n2)C1 ZINC000559357474 327187616 /nfs/dbraw/zinc/18/76/16/327187616.db2.gz AYFAPSWHYDBMJM-HZPDHXFCSA-N 0 1 298.434 3.572 20 0 CHADMN Cc1nc2c(n1Cc1cccc(OC(F)F)c1)CCCC2 ZINC000564470661 327196500 /nfs/dbraw/zinc/19/65/00/327196500.db2.gz JRJGKOFAPRPDEJ-UHFFFAOYSA-N 0 1 292.329 3.720 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2cc(Cl)ccc2Cl)C[C@H]1O ZINC000536369506 327232904 /nfs/dbraw/zinc/23/29/04/327232904.db2.gz RUSWCWVRLZNJSU-IMSIIYSGSA-N 0 1 288.218 3.757 20 0 CHADMN COc1ccccc1C(C)(C)NCc1ccc(F)cc1 ZINC000103172084 327233712 /nfs/dbraw/zinc/23/37/12/327233712.db2.gz HSMNOJJVQLXSIG-UHFFFAOYSA-N 0 1 273.351 3.859 20 0 CHADMN Cc1ccc2[nH]c(-c3cc(F)c(O)c(F)c3)nc2c1C ZINC000536389406 327234931 /nfs/dbraw/zinc/23/49/31/327234931.db2.gz CDRDTRYIVMPXHV-UHFFFAOYSA-N 0 1 274.270 3.831 20 0 CHADMN C[C@@H](NCc1ccc(F)c(Cl)c1)c1ccoc1 ZINC000094869263 327251254 /nfs/dbraw/zinc/25/12/54/327251254.db2.gz FNQYCZDQEDGQST-SECBINFHSA-N 0 1 253.704 3.923 20 0 CHADMN CCC(CC)[N@@H+](Cc1ccc(C(=O)[O-])s1)C1CC1 ZINC000573689866 327251784 /nfs/dbraw/zinc/25/17/84/327251784.db2.gz RFWGIVWLKMPRRD-UHFFFAOYSA-N 0 1 267.394 3.599 20 0 CHADMN CCOC[C@H]1CCN(Cc2c(Cl)cccc2OCC)C1 ZINC000573739938 327254767 /nfs/dbraw/zinc/25/47/67/327254767.db2.gz DGMPDXQRSLHNEV-ZDUSSCGKSA-N 0 1 297.826 3.597 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(C(F)(F)F)cc1 ZINC000044497633 327268099 /nfs/dbraw/zinc/26/80/99/327268099.db2.gz HQSDPQKJIGZFIW-MNOVXSKESA-N 0 1 297.324 3.851 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2cn3ccccc3n2)s1 ZINC000559898277 327269805 /nfs/dbraw/zinc/26/98/05/327269805.db2.gz YEXDHSSPVNEHHY-LBPRGKRZSA-N 0 1 285.416 3.809 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@H]2N[C@H]1CCC[C@H]1F ZINC000559914598 327270544 /nfs/dbraw/zinc/27/05/44/327270544.db2.gz SGUWQZGWCJXBAK-KFWWJZLASA-N 0 1 263.356 3.689 20 0 CHADMN COc1cccc(C(C)(C)CN[C@H](C)c2cc(C)on2)c1 ZINC000559917255 327270944 /nfs/dbraw/zinc/27/09/44/327270944.db2.gz YJPMOSAAKMFKTC-CYBMUJFWSA-N 0 1 288.391 3.620 20 0 CHADMN O=C([O-])[C@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000262119381 327275716 /nfs/dbraw/zinc/27/57/16/327275716.db2.gz KNQQPFOHZLTGRY-ZDUSSCGKSA-N 0 1 293.366 3.553 20 0 CHADMN Cc1cccnc1CNCc1ccc(C(F)F)cc1 ZINC000150147066 327279564 /nfs/dbraw/zinc/27/95/64/327279564.db2.gz LFDVIKSXPVJDSM-UHFFFAOYSA-N 0 1 262.303 3.617 20 0 CHADMN CCc1cc(NC(=O)[C@H](N)c2ccc(C)cc2)ccc1C ZINC000261607334 327284236 /nfs/dbraw/zinc/28/42/36/327284236.db2.gz DBEVLWTZQQMBPM-QGZVFWFLSA-N 0 1 282.387 3.504 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1ccncc1C ZINC000560102052 327284510 /nfs/dbraw/zinc/28/45/10/327284510.db2.gz UCGXTXYCJQXZMZ-LJQANCHMSA-N 0 1 296.414 3.908 20 0 CHADMN Cc1nc(C2(NCCCCCF)CCCCCC2)no1 ZINC000560159787 327288100 /nfs/dbraw/zinc/28/81/00/327288100.db2.gz RINLMXOMSMAYPB-UHFFFAOYSA-N 0 1 283.391 3.657 20 0 CHADMN c1nc2cc(-c3noc(C4(C5CCC5)CCC4)n3)ccc2[nH]1 ZINC000560342063 327301416 /nfs/dbraw/zinc/30/14/16/327301416.db2.gz UNNBRFFWMAVUHQ-UHFFFAOYSA-N 0 1 294.358 3.835 20 0 CHADMN CC(C)(C)c1[nH]ncc1C(=O)Nc1ccc2ccoc2c1 ZINC000560419897 327306660 /nfs/dbraw/zinc/30/66/60/327306660.db2.gz LTXZLFUXNYHZDN-UHFFFAOYSA-N 0 1 283.331 3.706 20 0 CHADMN Cc1ccc(OC(F)F)c(CN2C3CCC2CC3)c1 ZINC000560436048 327307076 /nfs/dbraw/zinc/30/70/76/327307076.db2.gz QVVGZEPZEIJTTG-UHFFFAOYSA-N 0 1 267.319 3.723 20 0 CHADMN FC1(CN2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000560569028 327325612 /nfs/dbraw/zinc/32/56/12/327325612.db2.gz ANGWERCUECJYFY-LBPRGKRZSA-N 0 1 253.748 3.631 20 0 CHADMN CCC[C@@]1(C)CCC[N@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000566359987 327335578 /nfs/dbraw/zinc/33/55/78/327335578.db2.gz NKNLGEYVCXMNSV-RDJZCZTQSA-N 0 1 293.382 3.854 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000566359198 327335754 /nfs/dbraw/zinc/33/57/54/327335754.db2.gz RBOOULWNTJMKPO-GUYCJALGSA-N 0 1 289.375 3.861 20 0 CHADMN CC(C)C[C@H](C)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000560708953 327337502 /nfs/dbraw/zinc/33/75/02/327337502.db2.gz UDCSAHLIXZGIPH-XJKSGUPXSA-N 0 1 265.372 3.634 20 0 CHADMN c1nc2ccc(NCc3cnc(C4CC4)s3)cc2[nH]1 ZINC000561251511 327379614 /nfs/dbraw/zinc/37/96/14/327379614.db2.gz LZQMWCLZBLEIRT-UHFFFAOYSA-N 0 1 270.361 3.509 20 0 CHADMN CCCN(C)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000124955458 327389169 /nfs/dbraw/zinc/38/91/69/327389169.db2.gz GVJVBQWUTPTEJZ-UHFFFAOYSA-N 0 1 272.270 3.688 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccn(C(C)C)n1)[C@H](C)C2 ZINC000561493852 327399299 /nfs/dbraw/zinc/39/92/99/327399299.db2.gz PCFQFCJWXUJBLO-KDOFPFPSSA-N 0 1 283.419 3.796 20 0 CHADMN CC[C@@H]1C[C@@]1(NCc1cc(C)ncn1)c1cccc(C)c1 ZINC000428958939 327405812 /nfs/dbraw/zinc/40/58/12/327405812.db2.gz FJRZJJQWXKPILA-QAPCUYQASA-N 0 1 281.403 3.508 20 0 CHADMN CCOc1ncccc1CN[C@@H](C)c1ccc(C)c(C)c1 ZINC000151190793 327455128 /nfs/dbraw/zinc/45/51/28/327455128.db2.gz DCIDIIDQYUBHSY-HNNXBMFYSA-N 0 1 284.403 3.948 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnn(C)c1)c1ccc(F)cc1F ZINC000151820594 327509708 /nfs/dbraw/zinc/50/97/08/327509708.db2.gz MFCRLVKNFHLSSP-MEBBXXQBSA-N 0 1 279.334 3.500 20 0 CHADMN Cc1ccoc1CN[C@@H](C)c1ccccc1-n1cccn1 ZINC000151857371 327515141 /nfs/dbraw/zinc/51/51/41/327515141.db2.gz HJJHZOCVGYCULB-AWEZNQCLSA-N 0 1 281.359 3.625 20 0 CHADMN COc1ccc(CN2CC(C3CCC3)C2)cc1Cl ZINC000562902575 327523288 /nfs/dbraw/zinc/52/32/88/327523288.db2.gz KIUOIYXMMSVXJP-UHFFFAOYSA-N 0 1 265.784 3.581 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@H](C)c2cccc(O)c2)cn1 ZINC000562923999 327525630 /nfs/dbraw/zinc/52/56/30/327525630.db2.gz UMEWHKGHYZPSJX-CHWSQXEVSA-N 0 1 273.380 3.581 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000535776868 328630641 /nfs/dbraw/zinc/63/06/41/328630641.db2.gz GQWOSADSVJWFQV-VHSXEESVSA-N 0 1 295.789 3.933 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@H](C)c2cscn2)C12CCCCC2 ZINC000535777750 328630801 /nfs/dbraw/zinc/63/08/01/328630801.db2.gz NNROWVSPRIBBCG-BPLDGKMQSA-N 0 1 294.464 3.922 20 0 CHADMN CCCCO[C@@H]1C[C@@H](N[C@H](C)c2cscn2)C1(C)C ZINC000536626243 328670256 /nfs/dbraw/zinc/67/02/56/328670256.db2.gz PVSHUDOUMWIHMJ-MRVWCRGKSA-N 0 1 282.453 3.778 20 0 CHADMN C[C@@H]1CN(Cc2cccc(OC(C)(C)C)n2)C[C@@H](C)S1 ZINC000536641699 328673225 /nfs/dbraw/zinc/67/32/25/328673225.db2.gz DKLFZLXNGKAQBW-CHWSQXEVSA-N 0 1 294.464 3.585 20 0 CHADMN O=C(Nc1cccc2ccsc21)c1c(O)cccc1F ZINC000395349926 328736361 /nfs/dbraw/zinc/73/63/61/328736361.db2.gz DHMFDEGCEAHMRC-UHFFFAOYSA-N 0 1 287.315 3.998 20 0 CHADMN CCc1cc(CN[C@H]2CCCCc3ccccc32)on1 ZINC000532516719 328785743 /nfs/dbraw/zinc/78/57/43/328785743.db2.gz LQMLNWLTHPCOTR-KRWDZBQOSA-N 0 1 270.376 3.794 20 0 CHADMN CCc1cc(CN[C@H](CC2CC2)c2ccccc2)on1 ZINC000532516848 328785810 /nfs/dbraw/zinc/78/58/10/328785810.db2.gz CGGISPIUTWPYDC-QGZVFWFLSA-N 0 1 270.376 3.868 20 0 CHADMN Cc1nc(CN2CCC(C)(C)CC2)nc2ccccc12 ZINC000532523686 328787586 /nfs/dbraw/zinc/78/75/86/328787586.db2.gz GRAYAYMNLXYEBU-UHFFFAOYSA-N 0 1 269.392 3.560 20 0 CHADMN FC(F)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000532526261 328787751 /nfs/dbraw/zinc/78/77/51/328787751.db2.gz CCKNGMJXYUOCOO-UHFFFAOYSA-N 0 1 259.727 3.817 20 0 CHADMN Cc1cc2cc(CN[C@@H](C)c3cncc(F)c3)ccc2[nH]1 ZINC000353133551 328854104 /nfs/dbraw/zinc/85/41/04/328854104.db2.gz FZWALAUHYBJHRU-LBPRGKRZSA-N 0 1 283.350 3.861 20 0 CHADMN COc1cc2c(cc1F)nccc2N1[C@@H](C)CC[C@@H]1C ZINC000359549241 328898258 /nfs/dbraw/zinc/89/82/58/328898258.db2.gz VCDCVTAALUEMOH-QWRGUYRKSA-N 0 1 274.339 3.760 20 0 CHADMN Cc1noc([C@H](C)NC2CCC(C(C)(C)C)CC2)n1 ZINC000361609153 328926334 /nfs/dbraw/zinc/92/63/34/328926334.db2.gz ILSPPSHOFZXYKT-PKSQDBQZSA-N 0 1 265.401 3.634 20 0 CHADMN CC(C)n1ncc2c1[C@@H](N[C@H](C)c1ccoc1)CCC2 ZINC000375183129 329001755 /nfs/dbraw/zinc/00/17/55/329001755.db2.gz MRLNVSYJKMIHBI-DOMZBBRYSA-N 0 1 273.380 3.785 20 0 CHADMN CC(C)c1cnc(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)s1 ZINC000377851338 329031622 /nfs/dbraw/zinc/03/16/22/329031622.db2.gz JRZHPAQNQNSOME-XOKHGSTOSA-N 0 1 284.428 3.694 20 0 CHADMN C[C@@H](c1nc(-c2ccccc2)no1)N1CCC2(CC2)CC1 ZINC000378325192 329046208 /nfs/dbraw/zinc/04/62/08/329046208.db2.gz CMAXMKYVXNCNCM-ZDUSSCGKSA-N 0 1 283.375 3.674 20 0 CHADMN CCC[C@@H](N[C@H]1CN(C)Cc2ccccc21)c1ccccn1 ZINC000378404710 329049245 /nfs/dbraw/zinc/04/92/45/329049245.db2.gz PMBKDDKHKLAREZ-MOPGFXCFSA-N 0 1 295.430 3.699 20 0 CHADMN C[C@@H](CCc1ccccc1)SCc1n[nH]c(C2CC2)n1 ZINC000193618199 329059934 /nfs/dbraw/zinc/05/99/34/329059934.db2.gz CEDNSXUBHUSRCT-LBPRGKRZSA-N 0 1 287.432 3.937 20 0 CHADMN COc1cc(CN(C)[C@H](C)c2ccco2)ccc1C ZINC000193688356 329060783 /nfs/dbraw/zinc/06/07/83/329060783.db2.gz LZDLEIAUFDYXMG-CYBMUJFWSA-N 0 1 259.349 3.790 20 0 CHADMN Fc1cc(Cl)ccc1CSCc1n[nH]c(C2CC2)n1 ZINC000193727320 329061089 /nfs/dbraw/zinc/06/10/89/329061089.db2.gz JUEHXLZPGFNZCJ-UHFFFAOYSA-N 0 1 297.786 3.908 20 0 CHADMN CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000171033445 329074108 /nfs/dbraw/zinc/07/41/08/329074108.db2.gz WGAIKPWOCFFSDI-MRXNPFEDSA-N 0 1 299.418 3.577 20 0 CHADMN CC[C@@H](C)Oc1cc(C)ccc1CNCc1ccn(C)c1 ZINC000126626363 329075330 /nfs/dbraw/zinc/07/53/30/329075330.db2.gz CXDNMFHTOUQWPW-OAHLLOKOSA-N 0 1 286.419 3.801 20 0 CHADMN CCSc1ccc(Cl)cc1NC(=O)c1cnns1 ZINC000171535347 329077146 /nfs/dbraw/zinc/07/71/46/329077146.db2.gz QGNVBTRLDMJUIB-UHFFFAOYSA-N 0 1 299.808 3.556 20 0 CHADMN CC(C)[N@@H+](Cc1csc(C(=O)[O-])c1)C1CCCC1 ZINC000582552045 329106595 /nfs/dbraw/zinc/10/65/95/329106595.db2.gz WFMRNMYEKWAZNG-UHFFFAOYSA-N 0 1 267.394 3.599 20 0 CHADMN Fc1ccc(-c2ccc(CN[C@H]3C[C@@H]3C(F)F)o2)cc1 ZINC000582569785 329109666 /nfs/dbraw/zinc/10/96/66/329109666.db2.gz VWFXHJCYISTZJH-STQMWFEESA-N 0 1 281.277 3.829 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1ccc(C2CCC2)cc1)C1CCC1 ZINC000582616501 329118239 /nfs/dbraw/zinc/11/82/39/329118239.db2.gz CYVOGYKODZTJIA-ZDUSSCGKSA-N 0 1 287.403 3.782 20 0 CHADMN C[C@H](NC1CC(C)(C)C1)c1nc(-c2cccc(F)c2)no1 ZINC000582643467 329119245 /nfs/dbraw/zinc/11/92/45/329119245.db2.gz BRMRENQLLBQFPG-JTQLQIEISA-N 0 1 289.354 3.715 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC000394546352 329125801 /nfs/dbraw/zinc/12/58/01/329125801.db2.gz DUTNQVFIALQDJG-GFCCVEGCSA-N 0 1 281.783 3.803 20 0 CHADMN C[C@@H]1C[C@H](Nc2ccc(Cl)c(CN(C)C)c2)C[C@H](C)O1 ZINC000582706572 329132661 /nfs/dbraw/zinc/13/26/61/329132661.db2.gz HLDFTMHGLBBBEY-JYAVWHMHSA-N 0 1 296.842 3.770 20 0 CHADMN CCc1ccc([C@H]2CCCCCN2Cc2cnn(C)c2)o1 ZINC000172642135 329135992 /nfs/dbraw/zinc/13/59/92/329135992.db2.gz COEBNIIJLJCVTM-MRXNPFEDSA-N 0 1 287.407 3.693 20 0 CHADMN CC[C@H](Cc1ccccc1)N(C)Cc1nccn1C(C)C ZINC000172928557 329140779 /nfs/dbraw/zinc/14/07/79/329140779.db2.gz WFIIWIDIXAFFDB-QGZVFWFLSA-N 0 1 285.435 3.917 20 0 CHADMN C[C@H]1CN(Cc2cscn2)CC[C@@H]1c1ccccc1 ZINC000172942475 329141025 /nfs/dbraw/zinc/14/10/25/329141025.db2.gz NUYOMWLLINSKKO-BBRMVZONSA-N 0 1 272.417 3.769 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1Cc1csc(NC(C)=O)n1 ZINC000173711066 329151022 /nfs/dbraw/zinc/15/10/22/329151022.db2.gz FCHVLGBKDMQPCI-BXUZGUMPSA-N 0 1 295.452 3.502 20 0 CHADMN CC(C)C[C@@H]1CCN(Cc2cncc(Br)c2)C1 ZINC000307787194 329158573 /nfs/dbraw/zinc/15/85/73/329158573.db2.gz OBFJFFTZTPHEAW-LBPRGKRZSA-N 0 1 297.240 3.712 20 0 CHADMN CO[C@H](C)c1nc(CN2C[C@H](C)CCC[C@@H]2C)cs1 ZINC000175262194 329167211 /nfs/dbraw/zinc/16/72/11/329167211.db2.gz QKWRFFNTEVFJLK-FRRDWIJNSA-N 0 1 282.453 3.861 20 0 CHADMN COc1ncccc1CN(C)[C@H](C)c1ccc(C)cc1 ZINC000176456999 329175812 /nfs/dbraw/zinc/17/58/12/329175812.db2.gz UIOQGQOFEHMLKM-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN CC(C)c1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)n[nH]1 ZINC000176535931 329176771 /nfs/dbraw/zinc/17/67/71/329176771.db2.gz SGMVLBXGLWJHHW-DZGCQCFKSA-N 0 1 297.402 3.551 20 0 CHADMN Clc1cnccc1CN1CCS[C@H]2CCCC[C@@H]21 ZINC000177184854 329181744 /nfs/dbraw/zinc/18/17/44/329181744.db2.gz ZTECAHQKCXQXQO-KBPBESRZSA-N 0 1 282.840 3.595 20 0 CHADMN CC[C@@H](C)CN(CC)Cc1nccn1Cc1ccccc1 ZINC000177860077 329193294 /nfs/dbraw/zinc/19/32/94/329193294.db2.gz WCPAICRCPOQIHP-MRXNPFEDSA-N 0 1 285.435 3.799 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1Cc1nc(C(C)C)no1 ZINC000178555797 329198367 /nfs/dbraw/zinc/19/83/67/329198367.db2.gz MSKHUCWVWUZUKT-OLZOCXBDSA-N 0 1 265.401 3.594 20 0 CHADMN COc1ccccc1[C@H]1CCCN1Cc1cnn(C(C)C)c1 ZINC000179390479 329204991 /nfs/dbraw/zinc/20/49/91/329204991.db2.gz IBTHINHRFZCZFG-QGZVFWFLSA-N 0 1 299.418 3.810 20 0 CHADMN C[C@H]1CN(Cc2cnn3ccccc23)[C@@H]1c1ccccc1 ZINC000180222493 329218660 /nfs/dbraw/zinc/21/86/60/329218660.db2.gz GMDKFTQHDFMVPD-KSSFIOAISA-N 0 1 277.371 3.527 20 0 CHADMN Cc1cnc(CN2CC[C@H](Cc3ccc(F)cc3)C2)s1 ZINC000180502541 329219998 /nfs/dbraw/zinc/21/99/98/329219998.db2.gz XJXQHXBPMITXPO-CQSZACIVSA-N 0 1 290.407 3.655 20 0 CHADMN Cc1cnc(CN2CCC[C@H](CC(C)C)C2)s1 ZINC000180542840 329220501 /nfs/dbraw/zinc/22/05/01/329220501.db2.gz YUTSGZCXAZMDSY-CYBMUJFWSA-N 0 1 252.427 3.710 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccsc2)c(F)c1 ZINC000222284499 329222356 /nfs/dbraw/zinc/22/23/56/329222356.db2.gz CTYPUFGBHXMSIF-SNVBAGLBSA-N 0 1 265.353 3.747 20 0 CHADMN c1ccc(CN(Cc2ccc3c(c2)CCC3)C2CC2)nc1 ZINC000180873846 329223670 /nfs/dbraw/zinc/22/36/70/329223670.db2.gz HFIUVXISHMLJQQ-UHFFFAOYSA-N 0 1 278.399 3.735 20 0 CHADMN C[C@H](NCc1ccc2ncccc2c1)c1cncc(F)c1 ZINC000181003562 329224930 /nfs/dbraw/zinc/22/49/30/329224930.db2.gz UAVZYWWBXJOBPY-LBPRGKRZSA-N 0 1 281.334 3.620 20 0 CHADMN CCOC[C@H]1CCC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181112225 329226254 /nfs/dbraw/zinc/22/62/54/329226254.db2.gz HTKPIKSOYFTDBL-KBPBESRZSA-N 0 1 288.391 3.637 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cccnc1 ZINC000181402941 329232516 /nfs/dbraw/zinc/23/25/16/329232516.db2.gz LWATXJNMDNHAFE-JCGIZDLHSA-N 0 1 282.387 3.653 20 0 CHADMN CC(C)N(Cc1nnc(C2CC2)n1C1CC1)C1CCCC1 ZINC000181457056 329233353 /nfs/dbraw/zinc/23/33/53/329233353.db2.gz OXMLLFMSDKQXNG-UHFFFAOYSA-N 0 1 288.439 3.643 20 0 CHADMN Cc1cc([C@H](C)NCc2cnn(CC(C)C)c2)c(C)o1 ZINC000181783342 329237012 /nfs/dbraw/zinc/23/70/12/329237012.db2.gz FKDIMGLFAXCIRA-ZDUSSCGKSA-N 0 1 275.396 3.600 20 0 CHADMN CCOc1cccc(CN(C)[C@H](C)c2ccccn2)c1 ZINC000182068185 329239081 /nfs/dbraw/zinc/23/90/81/329239081.db2.gz SCKUCSQMPAWKPR-CQSZACIVSA-N 0 1 270.376 3.673 20 0 CHADMN CO[C@H](C)CN1Cc2ccccc2-c2ccccc2C1 ZINC000182115429 329239680 /nfs/dbraw/zinc/23/96/80/329239680.db2.gz QYBMRGXUMNSKPV-CQSZACIVSA-N 0 1 267.372 3.704 20 0 CHADMN Cc1cc(C)cc([C@H]2CCN(Cc3nc(C4CC4)no3)C2)c1 ZINC000183480738 329247877 /nfs/dbraw/zinc/24/78/77/329247877.db2.gz VVFDKHVCDFWNPR-HNNXBMFYSA-N 0 1 297.402 3.553 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Cl)cn2)CC1(C)C ZINC000582815742 329248960 /nfs/dbraw/zinc/24/89/60/329248960.db2.gz DMHATGHYSKXBQK-LLVKDONJSA-N 0 1 252.789 3.603 20 0 CHADMN CC(C)C[C@H]1OCCC[C@H]1NCc1csc(C(C)C)n1 ZINC000185191970 329267186 /nfs/dbraw/zinc/26/71/86/329267186.db2.gz FNWQJYIBUUKNSZ-HUUCEWRRSA-N 0 1 296.480 3.950 20 0 CHADMN CC(C)C[C@@H]1OCCC[C@H]1NCc1ncc(C(C)C)s1 ZINC000185200253 329267669 /nfs/dbraw/zinc/26/76/69/329267669.db2.gz DFFVDRMSQTUNMF-KGLIPLIRSA-N 0 1 296.480 3.950 20 0 CHADMN CC(C)O[C@@H]1C[C@H](NCc2nc(C(C)C)cs2)C1(C)C ZINC000185238595 329269224 /nfs/dbraw/zinc/26/92/24/329269224.db2.gz LLKFYCVMYDSXRE-UONOGXRCSA-N 0 1 296.480 3.948 20 0 CHADMN Cc1noc(C)c1CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000185324007 329273052 /nfs/dbraw/zinc/27/30/52/329273052.db2.gz KXIAIJYHLXFIJX-LBPRGKRZSA-N 0 1 292.329 3.559 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])oc1C ZINC000582910870 329287121 /nfs/dbraw/zinc/28/71/21/329287121.db2.gz WUJOCGOFLXVMLC-RISCZKNCSA-N 0 1 279.380 3.687 20 0 CHADMN O=C([O-])CCCCC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000582970682 329296221 /nfs/dbraw/zinc/29/62/21/329296221.db2.gz QZMZBYVAORJYFG-QGZVFWFLSA-N 0 1 287.403 3.783 20 0 CHADMN CC[N@H+](Cc1cccs1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000582970388 329296242 /nfs/dbraw/zinc/29/62/42/329296242.db2.gz NUYIHNJNOYADDW-AWEZNQCLSA-N 0 1 293.363 3.535 20 0 CHADMN CC[N@@H+](Cc1cccs1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000582970388 329296243 /nfs/dbraw/zinc/29/62/43/329296243.db2.gz NUYIHNJNOYADDW-AWEZNQCLSA-N 0 1 293.363 3.535 20 0 CHADMN CC(C)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000395759529 329300782 /nfs/dbraw/zinc/30/07/82/329300782.db2.gz KUNOLTMRRVBAGJ-HNNXBMFYSA-N 0 1 279.355 3.534 20 0 CHADMN Cc1cccc([C@H]2CCC[N@H+]2Cc2occc2C(=O)[O-])c1 ZINC000583089564 329314112 /nfs/dbraw/zinc/31/41/12/329314112.db2.gz IKRBMPFRFBDOLJ-OAHLLOKOSA-N 0 1 285.343 3.623 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccsc1 ZINC000227834648 329329332 /nfs/dbraw/zinc/32/93/32/329329332.db2.gz OXGVJKBHSKVWPQ-ZJUUUORDSA-N 0 1 250.342 3.694 20 0 CHADMN CCc1cccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000583172928 329332285 /nfs/dbraw/zinc/33/22/85/329332285.db2.gz OSHIWNFSIDWDGY-QZTJIDSGSA-N 0 1 285.431 3.783 20 0 CHADMN Cc1cccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186433055 329342471 /nfs/dbraw/zinc/34/24/71/329342471.db2.gz OVZXWNKYXSIANJ-LJQANCHMSA-N 0 1 279.383 3.626 20 0 CHADMN COc1ccc(CN(Cc2ccc(C)nc2C)C2CC2)cc1 ZINC000186464827 329342944 /nfs/dbraw/zinc/34/29/44/329342944.db2.gz YALSFOZPSZWLLY-UHFFFAOYSA-N 0 1 296.414 3.872 20 0 CHADMN CCC1(CC)CCN(Cc2nc(-c3ccoc3)no2)CC1 ZINC000186561688 329345300 /nfs/dbraw/zinc/34/53/00/329345300.db2.gz RBYRGVHRUPCHFL-UHFFFAOYSA-N 0 1 289.379 3.732 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000392475402 329345925 /nfs/dbraw/zinc/34/59/25/329345925.db2.gz SEYWSPCURHNWHV-IUCAKERBSA-N 0 1 298.312 3.544 20 0 CHADMN CCc1nnc(CN(CC)C[C@H](CC)c2ccccc2)o1 ZINC000186603842 329346314 /nfs/dbraw/zinc/34/63/14/329346314.db2.gz KNRUHHQDMASMKF-AWEZNQCLSA-N 0 1 287.407 3.648 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C)nc2C)cc1C ZINC000186945528 329350591 /nfs/dbraw/zinc/35/05/91/329350591.db2.gz LMKQPBVVMQPBNU-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CCC(C)(CO)CC1 ZINC000187551789 329358897 /nfs/dbraw/zinc/35/88/97/329358897.db2.gz YHCSWIOUFIRLBX-LLVKDONJSA-N 0 1 285.790 3.635 20 0 CHADMN CCCCc1noc([C@H](C)N[C@H](CCOC)C(C)(C)C)n1 ZINC000508996234 332854812 /nfs/dbraw/zinc/85/48/12/332854812.db2.gz FLJFCGUYCFOGHW-QWHCGFSZSA-N 0 1 297.443 3.514 20 0 CHADMN Cc1occc1CN[C@H](C)c1ccc(F)c(F)c1 ZINC000321544406 329372367 /nfs/dbraw/zinc/37/23/67/329372367.db2.gz RCOQIDROFDEWKQ-SECBINFHSA-N 0 1 251.276 3.717 20 0 CHADMN Cc1cccc2c1OCC[C@H]2N[C@@H](C)c1cccnc1 ZINC000189370268 329380366 /nfs/dbraw/zinc/38/03/66/329380366.db2.gz JBLADTVAWHDASZ-XJKSGUPXSA-N 0 1 268.360 3.564 20 0 CHADMN Cc1nc([C@@H]2CCCN2CCc2ccccc2F)cs1 ZINC000189920637 329390108 /nfs/dbraw/zinc/39/01/08/329390108.db2.gz VZEJKXBYUNGGOM-INIZCTEOSA-N 0 1 290.407 3.970 20 0 CHADMN Cc1cncc(CN2CCC(c3ccccc3F)CC2)c1 ZINC000525949117 329432161 /nfs/dbraw/zinc/43/21/61/329432161.db2.gz RMAPCXTWXKIUJV-UHFFFAOYSA-N 0 1 284.378 3.909 20 0 CHADMN Cc1cnc(CNc2cc(C)nc3ccc(F)cc32)o1 ZINC000192737572 329435540 /nfs/dbraw/zinc/43/55/40/329435540.db2.gz QWPCFEGNRSSTPQ-UHFFFAOYSA-N 0 1 271.295 3.591 20 0 CHADMN CC[C@H](NCc1ccno1)c1ccc(Cl)cc1 ZINC000219792872 329504066 /nfs/dbraw/zinc/50/40/66/329504066.db2.gz OEOYZSKEQILDNV-ZDUSSCGKSA-N 0 1 250.729 3.569 20 0 CHADMN Cc1cc(C)cc(CN[C@H]2c3ccccc3O[C@H]2C)c1 ZINC000564124625 329697847 /nfs/dbraw/zinc/69/78/47/329697847.db2.gz SHIUHVCXGNWVCE-KBXCAEBGSA-N 0 1 267.372 3.915 20 0 CHADMN Cc1ccc(CC(C)(C)NCc2ncc(C3CC3)o2)cc1 ZINC000419334397 329717893 /nfs/dbraw/zinc/71/78/93/329717893.db2.gz NITQETPHNLKNNS-UHFFFAOYSA-N 0 1 284.403 3.971 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@@H](C)c2csc(CC)n2)C12CCC2 ZINC000245870488 329756803 /nfs/dbraw/zinc/75/68/03/329756803.db2.gz JIGDHNLJUKIYKC-IACUBPJLSA-N 0 1 294.464 3.704 20 0 CHADMN CCC[C@H]1CCCC[C@H]1NCc1nc(C(C)C)no1 ZINC000548160388 329940151 /nfs/dbraw/zinc/94/01/51/329940151.db2.gz DEQOKCMRTFVRGJ-QWHCGFSZSA-N 0 1 265.401 3.642 20 0 CHADMN CCOc1cccc(Cl)c1CN1CCC(COC)CC1 ZINC000572175759 329952123 /nfs/dbraw/zinc/95/21/23/329952123.db2.gz VCDHZHBZLGWWEE-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000262953876 330037644 /nfs/dbraw/zinc/03/76/44/330037644.db2.gz BDGGIXIRRFUIIF-AWEZNQCLSA-N 0 1 283.371 3.620 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263027743 330039441 /nfs/dbraw/zinc/03/94/41/330039441.db2.gz GMEMFEGWLVRHPN-IJEWVQPXSA-N 0 1 281.440 3.636 20 0 CHADMN CCCC1CCC(C[N@H+]2CCC[C@H](C(=O)[O-])[C@@H]2C)CC1 ZINC000263032762 330039682 /nfs/dbraw/zinc/03/96/82/330039682.db2.gz HJALHKHNIVKDRA-LBDPXKHJSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)C[C@@H](C[N@H+]1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000263442356 330055903 /nfs/dbraw/zinc/05/59/03/330055903.db2.gz WXRVHGHUQWBYGZ-IRXDYDNUSA-N 0 1 289.419 3.613 20 0 CHADMN CC(C)[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CCCCC1 ZINC000263441546 330055972 /nfs/dbraw/zinc/05/59/72/330055972.db2.gz DPSUYRUYZRSYPA-UHFFFAOYSA-N 0 1 275.392 3.928 20 0 CHADMN C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000263451687 330056494 /nfs/dbraw/zinc/05/64/94/330056494.db2.gz ZXEGRTGXQIDSQS-KGLIPLIRSA-N 0 1 291.435 3.568 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCCC3(CCCCC3)C2)c1 ZINC000263483155 330057408 /nfs/dbraw/zinc/05/74/08/330057408.db2.gz ONFOAJDCRQNXEC-UHFFFAOYSA-N 0 1 287.403 3.931 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263499345 330057931 /nfs/dbraw/zinc/05/79/31/330057931.db2.gz UYHWVBIMVDVEJT-RDTXWAMCSA-N 0 1 295.382 3.763 20 0 CHADMN Cc1ccccc1[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000263494612 330057972 /nfs/dbraw/zinc/05/79/72/330057972.db2.gz SJBBGNZAFAQRIK-KRWDZBQOSA-N 0 1 295.382 3.683 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000263572323 330059703 /nfs/dbraw/zinc/05/97/03/330059703.db2.gz KUVUHWHHVJLAFK-MRXNPFEDSA-N 0 1 299.345 3.513 20 0 CHADMN FC(F)C1(NCCCc2ccncc2)CCCCC1 ZINC000510113139 332892976 /nfs/dbraw/zinc/89/29/76/332892976.db2.gz OVGGGBUMYIJYBD-UHFFFAOYSA-N 0 1 268.351 3.572 20 0 CHADMN Cc1ccc(OCCN[C@H](C)c2ccncc2Cl)cc1 ZINC000421799867 330080497 /nfs/dbraw/zinc/08/04/97/330080497.db2.gz FYEUOBUEJQSKNY-CYBMUJFWSA-N 0 1 290.794 3.773 20 0 CHADMN COc1ccc([C@H](NCc2ccoc2)C(C)C)c(F)c1 ZINC000421827050 330083678 /nfs/dbraw/zinc/08/36/78/330083678.db2.gz WBQXANOVAHSQNM-MRXNPFEDSA-N 0 1 277.339 3.914 20 0 CHADMN C[C@H](NCCO[C@H]1CCCC[C@H]1C)c1ccncc1Cl ZINC000421821891 330086822 /nfs/dbraw/zinc/08/68/22/330086822.db2.gz UREGBJCVGQGBGT-WWGRRREGSA-N 0 1 296.842 3.981 20 0 CHADMN CC(C)c1nc([C@H](C)NCCCC2(O)CCC2)cs1 ZINC000421856286 330089256 /nfs/dbraw/zinc/08/92/56/330089256.db2.gz NFVRQNYULBZHST-LBPRGKRZSA-N 0 1 282.453 3.612 20 0 CHADMN C[C@H](CC(=O)OC(C)(C)C)N[C@H](C)c1ccncc1Cl ZINC000421843090 330094251 /nfs/dbraw/zinc/09/42/51/330094251.db2.gz MGPVRFOKELRYSY-GHMZBOCLSA-N 0 1 298.814 3.506 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cc(C)nc(C)c1 ZINC000421890574 330096748 /nfs/dbraw/zinc/09/67/48/330096748.db2.gz VLLDSVIOWNCDFE-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@H](CC(F)F)c1ccccc1 ZINC000421880116 330102254 /nfs/dbraw/zinc/10/22/54/330102254.db2.gz QACYXOGNMFTADI-IAQYHMDHSA-N 0 1 293.361 3.776 20 0 CHADMN CC1(C)CCC[C@H]1NCc1nc(CCc2ccccc2)no1 ZINC000191300023 330137261 /nfs/dbraw/zinc/13/72/61/330137261.db2.gz NXRMMRPRBGUKQG-OAHLLOKOSA-N 0 1 299.418 3.523 20 0 CHADMN C[C@@H](N[C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccncc1 ZINC000423421225 330197934 /nfs/dbraw/zinc/19/79/34/330197934.db2.gz AUOPNNJKZRAYLY-MLGOLLRUSA-N 0 1 297.402 3.617 20 0 CHADMN C[C@@H](N[C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1cccnc1 ZINC000423441690 330201694 /nfs/dbraw/zinc/20/16/94/330201694.db2.gz PNRVRGAHIIGBGY-MLGOLLRUSA-N 0 1 297.402 3.617 20 0 CHADMN C[C@@H]1CCC[C@H](CN[C@@H](c2nccn2C)c2ccccc2)C1 ZINC000527116052 330222842 /nfs/dbraw/zinc/22/28/42/330222842.db2.gz JXUXBTRSDPNVIO-SOLBZPMBSA-N 0 1 297.446 3.925 20 0 CHADMN CC(C)C[C@@H]1CCCN1Cc1ccc(Br)cn1 ZINC000396802054 330226596 /nfs/dbraw/zinc/22/65/96/330226596.db2.gz AMHNRTJPJBJZAW-AWEZNQCLSA-N 0 1 297.240 3.855 20 0 CHADMN C[C@H](N[C@H]1COC(C)(C)C1)c1ccccc1Br ZINC000396842911 330227218 /nfs/dbraw/zinc/22/72/18/330227218.db2.gz IROSVNPTYZHRPB-WDEREUQCSA-N 0 1 298.224 3.667 20 0 CHADMN CCC(CC)[C@H](CCN[C@@H](C)c1cscn1)OC ZINC000536833171 330229738 /nfs/dbraw/zinc/22/97/38/330229738.db2.gz NAJLLTYGKTUTDK-FZMZJTMJSA-N 0 1 270.442 3.635 20 0 CHADMN Cc1nnc(CN[C@@H](C)[C@H](C)c2ccc(Cl)cc2)s1 ZINC000527235111 330239831 /nfs/dbraw/zinc/23/98/31/330239831.db2.gz QICCPCQFDSRXCO-UWVGGRQHSA-N 0 1 295.839 3.782 20 0 CHADMN Fc1ccccc1Oc1cc(CNCC2(F)CC2)ccn1 ZINC000527243387 330239992 /nfs/dbraw/zinc/23/99/92/330239992.db2.gz YPSHLXJZPBXCBI-UHFFFAOYSA-N 0 1 290.313 3.605 20 0 CHADMN COc1ccc(CN[C@H]2CCc3ccc(F)cc32)c(F)c1 ZINC000536843008 330245546 /nfs/dbraw/zinc/24/55/46/330245546.db2.gz BXDZGXDIFSJVFJ-KRWDZBQOSA-N 0 1 289.325 3.751 20 0 CHADMN C[C@@H](NCCCSc1ccccc1)c1cscn1 ZINC000536864557 330253570 /nfs/dbraw/zinc/25/35/70/330253570.db2.gz VJEITGFZKZNWEK-GFCCVEGCSA-N 0 1 278.446 3.976 20 0 CHADMN C[C@H]1CC(F)(F)CCN1Cc1ccc2ccccc2n1 ZINC000528765114 330257103 /nfs/dbraw/zinc/25/71/03/330257103.db2.gz GTQJFWUVISELIW-LBPRGKRZSA-N 0 1 276.330 3.854 20 0 CHADMN C[C@H]1C[C@H](C)N1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000527529718 330258461 /nfs/dbraw/zinc/25/84/61/330258461.db2.gz WKKXIBBNPAGMRZ-RYUDHWBXSA-N 0 1 275.783 3.508 20 0 CHADMN Cc1cc(CN([C@H](C)c2ccco2)C2CC2)ccn1 ZINC000527540145 330260972 /nfs/dbraw/zinc/26/09/72/330260972.db2.gz UODKGKJDBDUDLZ-CYBMUJFWSA-N 0 1 256.349 3.709 20 0 CHADMN C[C@H](N[C@H](c1nccn1C)c1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000527634181 330267241 /nfs/dbraw/zinc/26/72/41/330267241.db2.gz BWWRHBWUZMTUBG-MGHWNKPDSA-N 0 1 295.430 3.534 20 0 CHADMN CC(C)(C)CNCc1ncc(Cl)cc1Br ZINC000527644567 330268844 /nfs/dbraw/zinc/26/88/44/330268844.db2.gz ISIIILHPJGXRPI-UHFFFAOYSA-N 0 1 291.620 3.633 20 0 CHADMN Cc1ccc(CNCc2ccnc(C)c2)c(OC(C)C)c1 ZINC000527675330 330270119 /nfs/dbraw/zinc/27/01/19/330270119.db2.gz TWRRDHNYQVJXJO-UHFFFAOYSA-N 0 1 284.403 3.775 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2ccc3cc[nH]c3c2)n[nH]1 ZINC000527700651 330274714 /nfs/dbraw/zinc/27/47/14/330274714.db2.gz NXTZOAOOTYAQCI-NWDGAFQWSA-N 0 1 297.406 3.650 20 0 CHADMN CC[C@@](C)(CNCc1c(F)ccc(F)c1Cl)OC ZINC000527712238 330276154 /nfs/dbraw/zinc/27/61/54/330276154.db2.gz IHQSSTMOKUMLAW-ZDUSSCGKSA-N 0 1 277.742 3.523 20 0 CHADMN CCOc1cc(CN[C@@H]2CCCC[C@H]2F)c(F)cc1OC ZINC000527717036 330276779 /nfs/dbraw/zinc/27/67/79/330276779.db2.gz CLOOLKCYVCPBMB-TZMCWYRMSA-N 0 1 299.361 3.603 20 0 CHADMN Brc1sccc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000527722158 330277341 /nfs/dbraw/zinc/27/73/41/330277341.db2.gz QSUMLXGUAPHGTJ-NXEZZACHSA-N 0 1 298.205 3.749 20 0 CHADMN Fc1ccc(F)c(CNCC[C@@H]2CCCCO2)c1Cl ZINC000527692296 330279316 /nfs/dbraw/zinc/27/93/16/330279316.db2.gz RTXNFNLMWRCDIN-JTQLQIEISA-N 0 1 289.753 3.667 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc3cn(C)nc3c2)o1 ZINC000527762078 330281380 /nfs/dbraw/zinc/28/13/80/330281380.db2.gz JQNVJYUURQDWFM-WBMJQRKESA-N 0 1 295.386 3.580 20 0 CHADMN C[C@@H](N[C@H](c1ccccn1)C1CCC1)c1cncc(F)c1 ZINC000527772495 330282102 /nfs/dbraw/zinc/28/21/02/330282102.db2.gz OOKQJEAEZSUCFE-PXAZEXFGSA-N 0 1 285.366 3.808 20 0 CHADMN Cc1cccc([C@@H](NCc2nccs2)C(C)C)c1 ZINC000527814476 330285050 /nfs/dbraw/zinc/28/50/50/330285050.db2.gz SHUQQUPKUPOHHF-HNNXBMFYSA-N 0 1 260.406 3.938 20 0 CHADMN CO[C@H](CN[C@H](C)c1nc(C)cs1)c1ccc(F)cc1 ZINC000527867925 330285872 /nfs/dbraw/zinc/28/58/72/330285872.db2.gz KKCHUMISLJGCGH-BXUZGUMPSA-N 0 1 294.395 3.629 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3cc(F)c(Cl)cc32)cn1 ZINC000527848960 330288001 /nfs/dbraw/zinc/28/80/01/330288001.db2.gz JWYBGFXKMJXBOT-MRXNPFEDSA-N 0 1 290.769 3.960 20 0 CHADMN Oc1cccc(CN[C@@H]2CCc3cc(F)c(Cl)cc32)c1 ZINC000527859053 330289164 /nfs/dbraw/zinc/28/91/64/330289164.db2.gz VYIUQDICMVWGAW-MRXNPFEDSA-N 0 1 291.753 3.962 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cc(F)c(Cl)cc21)c1cn[nH]c1 ZINC000527874550 330291142 /nfs/dbraw/zinc/29/11/42/330291142.db2.gz FBCDTVPVCGAZPQ-XLKFXECMSA-N 0 1 279.746 3.540 20 0 CHADMN OCc1ccc(F)c(CN2CCC=C(c3ccccc3)C2)c1 ZINC000528496874 330293633 /nfs/dbraw/zinc/29/36/33/330293633.db2.gz KGIGBZKCTGOKHB-UHFFFAOYSA-N 0 1 297.373 3.607 20 0 CHADMN Cc1cncc([C@@H](C)N[C@H](c2ccccn2)C2CCC2)c1 ZINC000527961692 330300598 /nfs/dbraw/zinc/30/05/98/330300598.db2.gz CQIKUQXNRWVPAK-KDOFPFPSSA-N 0 1 281.403 3.977 20 0 CHADMN COc1cc([C@@H](C)N[C@H](c2ccccn2)C2CCC2)ccn1 ZINC000527962024 330300752 /nfs/dbraw/zinc/30/07/52/330300752.db2.gz DJEHGJMJXSYLCV-ACJLOTCBSA-N 0 1 297.402 3.677 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc3cn(C)nc3c2)oc1C ZINC000527965262 330301165 /nfs/dbraw/zinc/30/11/65/330301165.db2.gz WWFVVANNFUZFCA-LBPRGKRZSA-N 0 1 283.375 3.634 20 0 CHADMN C[C@@H](N[C@H](c1ccccn1)C1CCC1)c1ccccn1 ZINC000527969585 330301460 /nfs/dbraw/zinc/30/14/60/330301460.db2.gz RFXROZKOJOZTIK-DYVFJYSZSA-N 0 1 267.376 3.669 20 0 CHADMN Cc1noc(C)c1[C@@H](C)CNCc1c(F)cc(C)cc1F ZINC000424155707 330303431 /nfs/dbraw/zinc/30/34/31/330303431.db2.gz LJJISYXDJSVUED-JTQLQIEISA-N 0 1 294.345 3.771 20 0 CHADMN C[C@H](NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(F)cc1F ZINC000528007796 330303501 /nfs/dbraw/zinc/30/35/01/330303501.db2.gz CKCILYRZBGIKBS-WFASDCNBSA-N 0 1 294.389 3.632 20 0 CHADMN Cc1cccc([C@H](N[C@@H](C)c2cnccn2)C(C)C)c1 ZINC000528008499 330303615 /nfs/dbraw/zinc/30/36/15/330303615.db2.gz GRPRBNUJKUFFQC-WMLDXEAASA-N 0 1 269.392 3.833 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cs1 ZINC000528010542 330303975 /nfs/dbraw/zinc/30/39/75/330303975.db2.gz ZHPMYNYEARFWNX-FGPLHTHASA-N 0 1 282.453 3.729 20 0 CHADMN Cc1cccc([C@H](N[C@H](C)c2ccn(C)n2)C(C)C)c1 ZINC000528012202 330304123 /nfs/dbraw/zinc/30/41/23/330304123.db2.gz RDCYAJHIQVDHMF-RHSMWYFYSA-N 0 1 271.408 3.776 20 0 CHADMN COC[C@@H](N[C@H](C)c1ccccc1)c1ccc(F)cc1 ZINC000536875725 330309665 /nfs/dbraw/zinc/30/96/65/330309665.db2.gz JQNYBKWBDCBCBD-CXAGYDPISA-N 0 1 273.351 3.864 20 0 CHADMN CC(C)n1cncc1CNCc1ccc(C(C)(F)F)cc1 ZINC000424167344 330309790 /nfs/dbraw/zinc/30/97/90/330309790.db2.gz DNMLJWSIDWEMCL-UHFFFAOYSA-N 0 1 293.361 3.866 20 0 CHADMN CCN(C/C=C(\C)Cl)Cc1ccc(OC)c(OC)c1 ZINC000528342896 330319794 /nfs/dbraw/zinc/31/97/94/330319794.db2.gz UNJWJFRUUXQXBL-XYOKQWHBSA-N 0 1 283.799 3.668 20 0 CHADMN CCN(Cc1ccccc1C)Cc1cc(CO)ccc1F ZINC000528345369 330321016 /nfs/dbraw/zinc/32/10/16/330321016.db2.gz PHUSFBBADPBGTF-UHFFFAOYSA-N 0 1 287.378 3.649 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C)c(Cl)c1 ZINC000532958998 330322932 /nfs/dbraw/zinc/32/29/32/330322932.db2.gz SSIXLRGEHOEGBZ-LBPRGKRZSA-N 0 1 296.842 3.953 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H](C)[C@H]1C ZINC000532971505 330323727 /nfs/dbraw/zinc/32/37/27/330323727.db2.gz JONCEEVILKBAHN-WCQYABFASA-N 0 1 294.826 3.707 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)N[C@H](C)c1cnn(C)c1 ZINC000044497866 330328472 /nfs/dbraw/zinc/32/84/72/330328472.db2.gz IWQJMRWINWUIRY-ZIAGYGMSSA-N 0 1 287.407 3.619 20 0 CHADMN C[C@H](NCc1cn2cc(Cl)ccc2n1)c1cccs1 ZINC000105861840 330330374 /nfs/dbraw/zinc/33/03/74/330330374.db2.gz XEWWGWWXPFXGFK-JTQLQIEISA-N 0 1 291.807 3.900 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])cc1 ZINC000424272349 330333341 /nfs/dbraw/zinc/33/33/41/330333341.db2.gz QJVHIHIQALWOHN-YOEHRIQHSA-N 0 1 289.419 3.570 20 0 CHADMN C/C(=C\c1nc(C2(N)CCCCC2)no1)c1ccccc1 ZINC000424343024 330341913 /nfs/dbraw/zinc/34/19/13/330341913.db2.gz IUHMSVPDMDQVML-OUKQBFOZSA-N 0 1 283.375 3.748 20 0 CHADMN C[C@H](N[C@@H]1CC12CC2)c1ccc(F)cc1Br ZINC000424334614 330343073 /nfs/dbraw/zinc/34/30/73/330343073.db2.gz YWJQLGVCLGXGDZ-QPUJVOFHSA-N 0 1 284.172 3.791 20 0 CHADMN Cc1ccc(C2CC2)c(-c2nc(C3(N)CCCC3)no2)c1 ZINC000424336017 330343422 /nfs/dbraw/zinc/34/34/22/330343422.db2.gz IBZKSBAEQAZLMS-UHFFFAOYSA-N 0 1 283.375 3.650 20 0 CHADMN C/C=C(/C=C/c1nc(C2(N)CCCCC2)no1)CC ZINC000424345079 330344553 /nfs/dbraw/zinc/34/45/53/330344553.db2.gz MOUMNKHXAKBACE-FNAOXXECSA-N 0 1 261.369 3.557 20 0 CHADMN C/C(=C/c1nc(C2(N)CCCCC2)no1)C(C)(C)C ZINC000424350333 330345231 /nfs/dbraw/zinc/34/52/31/330345231.db2.gz XDAVXXFHERXVJP-KHPPLWFESA-N 0 1 263.385 3.637 20 0 CHADMN CCc1ccc(CCc2nc(C3(N)CCCCC3)no2)cc1 ZINC000424350624 330345383 /nfs/dbraw/zinc/34/53/83/330345383.db2.gz XSSAFFXEZJYHDL-UHFFFAOYSA-N 0 1 299.418 3.535 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)s2)[C@H]1C(=O)[O-] ZINC000424414411 330350567 /nfs/dbraw/zinc/35/05/67/330350567.db2.gz HMTILFHILFLEEV-BXUZGUMPSA-N 0 1 295.448 3.731 20 0 CHADMN CC(C)C1CCC(C[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])CC1 ZINC000424417558 330350820 /nfs/dbraw/zinc/35/08/20/330350820.db2.gz MDZPUVPXMAEMQZ-SLTXQBBLSA-N 0 1 281.440 3.634 20 0 CHADMN CN1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000082335589 330354309 /nfs/dbraw/zinc/35/43/09/330354309.db2.gz LSRMLPOVGCGEQF-KRWDZBQOSA-N 0 1 296.370 3.512 20 0 CHADMN CCC(CC)N(Cc1nccn1CC(F)(F)F)C1CC1 ZINC000533268604 330355932 /nfs/dbraw/zinc/35/59/32/330355932.db2.gz KTLDBPIYJOVBIV-UHFFFAOYSA-N 0 1 289.345 3.598 20 0 CHADMN CC[C@H](C)CN(C)CC(=O)Nc1cccc2ccccc21 ZINC000533286412 330355957 /nfs/dbraw/zinc/35/59/57/330355957.db2.gz SJQFCLKOYMFXQG-AWEZNQCLSA-N 0 1 284.403 3.756 20 0 CHADMN Cc1ccc(F)c(CN[C@@H]2CCc3ccccc32)c1 ZINC000116912693 330361372 /nfs/dbraw/zinc/36/13/72/330361372.db2.gz SKGKPAFTBATMPR-QGZVFWFLSA-N 0 1 255.336 3.911 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CC[C@@H](C)C[C@H]1C ZINC000119191502 330371013 /nfs/dbraw/zinc/37/10/13/330371013.db2.gz CEUVHCBGJLGPMQ-HUUCEWRRSA-N 0 1 288.435 3.869 20 0 CHADMN CC(C)(C)[C@H]1CCCC[C@@H]1NCc1nnsc1Cl ZINC000119468225 330375518 /nfs/dbraw/zinc/37/55/18/330375518.db2.gz ADPCIVKJTSSTIM-UWVGGRQHSA-N 0 1 287.860 3.886 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccncc2Cl)cc1 ZINC000088781316 330378636 /nfs/dbraw/zinc/37/86/36/330378636.db2.gz HKWIFWQCIJXJOT-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN FC(F)(F)c1ccccc1CNCc1ccoc1 ZINC000057998202 330381679 /nfs/dbraw/zinc/38/16/79/330381679.db2.gz XILKPACJVRBGMQ-UHFFFAOYSA-N 0 1 255.239 3.588 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)CCC1CCOCC1 ZINC000120368806 330387278 /nfs/dbraw/zinc/38/72/78/330387278.db2.gz PFULAQWQSPBWSA-CYBMUJFWSA-N 0 1 294.439 3.782 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N(C)CCC1CCOCC1 ZINC000120368806 330387279 /nfs/dbraw/zinc/38/72/79/330387279.db2.gz PFULAQWQSPBWSA-CYBMUJFWSA-N 0 1 294.439 3.782 20 0 CHADMN CN(CCC1CCOCC1)Cc1ccc(F)cc1Cl ZINC000120771942 330391177 /nfs/dbraw/zinc/39/11/77/330391177.db2.gz SBDITIGSMIOJDO-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN CC[C@H](CSC)N(C)Cc1cccc(F)c1F ZINC000091098632 330398912 /nfs/dbraw/zinc/39/89/12/330398912.db2.gz RHSUKALXCUIZCE-LLVKDONJSA-N 0 1 259.365 3.538 20 0 CHADMN CCc1nc(C)c(CN[C@H](CC(F)(F)F)C(C)C)o1 ZINC000428503448 330527174 /nfs/dbraw/zinc/52/71/74/330527174.db2.gz OAIXTTHGHOMUTH-SNVBAGLBSA-N 0 1 278.318 3.612 20 0 CHADMN Cc1c([C@@H](C)N[C@H]2CC23CCCC3)nnn1-c1ccccc1 ZINC000429432363 330546441 /nfs/dbraw/zinc/54/64/41/330546441.db2.gz OCWLAGYPEXGECX-CJNGLKHVSA-N 0 1 296.418 3.559 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1ccc(-c2cc[nH]n2)o1 ZINC000433313405 330625416 /nfs/dbraw/zinc/62/54/16/330625416.db2.gz QAMXXDQOAHITDJ-OAHLLOKOSA-N 0 1 297.333 3.586 20 0 CHADMN C[C@H]1CCCC[C@H]1NCc1noc(-c2ccccc2F)n1 ZINC000435023446 330648141 /nfs/dbraw/zinc/64/81/41/330648141.db2.gz KIIVMAAJEDCDJN-SMDDNHRTSA-N 0 1 289.354 3.544 20 0 CHADMN FCCN[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000436296533 330674282 /nfs/dbraw/zinc/67/42/82/330674282.db2.gz JYUIHPGDNGJADF-GFCCVEGCSA-N 0 1 294.370 3.886 20 0 CHADMN CC(C)C[C@H]1CCCCCN1C(=O)c1c(O)cccc1F ZINC000436495318 330678725 /nfs/dbraw/zinc/67/87/25/330678725.db2.gz XVHGKSWNRFCSEV-CYBMUJFWSA-N 0 1 293.382 3.962 20 0 CHADMN O=C(Nc1scnc1C1CC1)c1ccc(Cl)cc1O ZINC000436717415 330683285 /nfs/dbraw/zinc/68/32/85/330683285.db2.gz WOXOSCTZGMQFJQ-UHFFFAOYSA-N 0 1 294.763 3.632 20 0 CHADMN O=C(Nc1ccc(F)c(C2CC2)c1)c1c(O)cccc1F ZINC000436780599 330685200 /nfs/dbraw/zinc/68/52/00/330685200.db2.gz FHTDCWYTNARRPL-UHFFFAOYSA-N 0 1 289.281 3.800 20 0 CHADMN CC(C)c1cccc(C(=O)Nc2cccc(Cl)c2O)n1 ZINC000436799388 330685483 /nfs/dbraw/zinc/68/54/83/330685483.db2.gz DANRQKFYIMURBI-UHFFFAOYSA-N 0 1 290.750 3.816 20 0 CHADMN CC(C)(C)C1CC(NC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000436890634 330687891 /nfs/dbraw/zinc/68/78/91/330687891.db2.gz CKFJMAZAHUNADF-UHFFFAOYSA-N 0 1 281.783 3.600 20 0 CHADMN Cn1ncc(Cl)c1CN1CCC2(CCCCC2)CC1 ZINC000437620688 330705165 /nfs/dbraw/zinc/70/51/65/330705165.db2.gz BTBGFMPFAYVUHV-UHFFFAOYSA-N 0 1 281.831 3.620 20 0 CHADMN Cc1cccc(NC(=O)[C@H](C)N2CCC(C(C)C)CC2)c1 ZINC000441444404 330768918 /nfs/dbraw/zinc/76/89/18/330768918.db2.gz WQYBPVGUKUGRHB-HNNXBMFYSA-N 0 1 288.435 3.690 20 0 CHADMN CCC[C@@H](NCc1ccc(F)cn1)c1ccsc1 ZINC000443086094 330794285 /nfs/dbraw/zinc/79/42/85/330794285.db2.gz LQIVYWYAKWFFKA-CQSZACIVSA-N 0 1 264.369 3.913 20 0 CHADMN C[C@@H](CC[NH2+]Cc1c(F)ccc([O-])c1F)c1ccccc1 ZINC000510532543 332905986 /nfs/dbraw/zinc/90/59/86/332905986.db2.gz GLHHZFYPFFVPCO-LBPRGKRZSA-N 0 1 291.341 3.954 20 0 CHADMN CCc1ccccc1-c1noc(CN2CCC(C)CC2)n1 ZINC000443191931 330796258 /nfs/dbraw/zinc/79/62/58/330796258.db2.gz HGVAKLPLVWEEDX-UHFFFAOYSA-N 0 1 285.391 3.531 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1nc(-c2ccc3[nH]ccc3c2)no1 ZINC000443220664 330797285 /nfs/dbraw/zinc/79/72/85/330797285.db2.gz WXKDXJWSZKKTFS-RYUDHWBXSA-N 0 1 296.374 3.591 20 0 CHADMN Cc1cc(N2C[C@H](C)O[C@H](C)[C@@H]2C)c2cc(F)ccc2n1 ZINC000445663982 330834250 /nfs/dbraw/zinc/83/42/50/330834250.db2.gz IXRBMOXFDMAZFB-RWMBFGLXSA-N 0 1 288.366 3.684 20 0 CHADMN C=Cn1cc(CN[C@@H]2CC(C)(C)Cc3oc(C)cc32)cn1 ZINC000194348461 330841839 /nfs/dbraw/zinc/84/18/39/330841839.db2.gz JNFLHIBVNWZVAH-OAHLLOKOSA-N 0 1 285.391 3.688 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@H]1CCCc2occc21 ZINC000447581135 330871211 /nfs/dbraw/zinc/87/12/11/330871211.db2.gz SCIHCIDTUNOMMO-WBMJQRKESA-N 0 1 270.376 3.965 20 0 CHADMN C(=C/c1ccccc1)\c1nc(-c2ccn3cncc3c2)no1 ZINC000447960713 330881478 /nfs/dbraw/zinc/88/14/78/330881478.db2.gz BNXUWUJMJKCCHJ-VOTSOKGWSA-N 0 1 288.310 3.555 20 0 CHADMN CC(C)(NCCF)c1ccc(Cl)c(Cl)c1 ZINC000380174247 330884123 /nfs/dbraw/zinc/88/41/23/330884123.db2.gz FDEIYILFCUZNKP-UHFFFAOYSA-N 0 1 250.144 3.788 20 0 CHADMN Cc1cnc(CNCCCOc2c(C)cccc2C)s1 ZINC000449089366 330898335 /nfs/dbraw/zinc/89/83/35/330898335.db2.gz DCKZAWYCDIAIBG-UHFFFAOYSA-N 0 1 290.432 3.627 20 0 CHADMN C[C@@H](NCc1ccncc1F)c1cccc(C2CC2)c1 ZINC000449351070 330917360 /nfs/dbraw/zinc/91/73/60/330917360.db2.gz OFRJIIWDBZPUGF-GFCCVEGCSA-N 0 1 270.351 3.949 20 0 CHADMN Fc1ccc(C2CC2)cc1CNCc1ccc2c[nH]nc2c1 ZINC000449372282 330919799 /nfs/dbraw/zinc/91/97/99/330919799.db2.gz FOYHUJWCVFEETH-UHFFFAOYSA-N 0 1 295.361 3.869 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnc(N(C)C)s2)ccc1F ZINC000449372705 330919863 /nfs/dbraw/zinc/91/98/63/330919863.db2.gz KZLIXLPNTYDPOB-LLVKDONJSA-N 0 1 293.411 3.507 20 0 CHADMN CCc1ccc(CNCc2cc(C3CC3)ccc2F)cn1 ZINC000449372319 330919960 /nfs/dbraw/zinc/91/99/60/330919960.db2.gz GDXBAZMMUCYHBM-UHFFFAOYSA-N 0 1 284.378 3.950 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@H](c2cccnc2)C1)C(C)(F)F ZINC000449417291 330924203 /nfs/dbraw/zinc/92/42/03/330924203.db2.gz XOWXSPOAYJFYKN-SGMGOOAPSA-N 0 1 268.351 3.741 20 0 CHADMN C[C@H](CC(C)(C)O)NCc1csc(-c2ccsc2)n1 ZINC000449450920 330926768 /nfs/dbraw/zinc/92/67/68/330926768.db2.gz PVVIUUYFKIXAIB-SNVBAGLBSA-N 0 1 296.461 3.511 20 0 CHADMN CSCc1cnc(CNC[C@H]2CCCC2(F)F)s1 ZINC000449498641 330931747 /nfs/dbraw/zinc/93/17/47/330931747.db2.gz SFZAOKZSAAPGMF-SECBINFHSA-N 0 1 292.420 3.531 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cnc(C3CC3)o1)[C@@H](C)C2 ZINC000449708721 330945537 /nfs/dbraw/zinc/94/55/37/330945537.db2.gz WESZYTHUVHUXDI-SJCJKPOMSA-N 0 1 282.387 3.884 20 0 CHADMN Cc1ccncc1CN[C@@H]1CCSc2c(F)cccc21 ZINC000162639210 330945613 /nfs/dbraw/zinc/94/56/13/330945613.db2.gz JLKOVVHCWJIIAM-OAHLLOKOSA-N 0 1 288.391 3.856 20 0 CHADMN COc1cc(CN2CCSC[C@H](C)C2)ccc1Cl ZINC000450840887 331002179 /nfs/dbraw/zinc/00/21/79/331002179.db2.gz GQFWDOQIVZTPOL-LLVKDONJSA-N 0 1 285.840 3.534 20 0 CHADMN CC(=O)c1ccc(CN2CC[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC000450885727 331004689 /nfs/dbraw/zinc/00/46/89/331004689.db2.gz CXOUMVLJLOZXAU-YGRLFVJLSA-N 0 1 285.309 3.662 20 0 CHADMN c1sc(CN2CCC[C@H](c3ccncc3)C2)nc1C1CC1 ZINC000451000212 331011152 /nfs/dbraw/zinc/01/11/52/331011152.db2.gz DYULSHVNPRQBPK-HNNXBMFYSA-N 0 1 299.443 3.795 20 0 CHADMN Clc1ccccc1CNCc1cccc2c1NCC2 ZINC000163275647 331013932 /nfs/dbraw/zinc/01/39/32/331013932.db2.gz MGCCXRMEHKFZHQ-UHFFFAOYSA-N 0 1 272.779 3.598 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@]1(C)CC=CCC1 ZINC000451346682 331025027 /nfs/dbraw/zinc/02/50/27/331025027.db2.gz VCMSSGZPDCSTFK-INIZCTEOSA-N 0 1 269.348 3.556 20 0 CHADMN COc1cc(CN2CCC(CF)CC2)ccc1Cl ZINC000451388277 331026853 /nfs/dbraw/zinc/02/68/53/331026853.db2.gz BLHDDLJQPHYASA-UHFFFAOYSA-N 0 1 271.763 3.530 20 0 CHADMN CO[C@H]1C[C@@H](NCc2csc(C3CCCC3)n2)C1(C)C ZINC000451494594 331031604 /nfs/dbraw/zinc/03/16/04/331031604.db2.gz KZORSNCMWDDJPI-KGLIPLIRSA-N 0 1 294.464 3.704 20 0 CHADMN CCO[C@@H]1CCN(Cc2cc(OC)ccc2Cl)C[C@H]1C ZINC000451548267 331033661 /nfs/dbraw/zinc/03/36/61/331033661.db2.gz UZERAFKQUPHORJ-MLGOLLRUSA-N 0 1 297.826 3.596 20 0 CHADMN CCO[C@H]1CCN(Cc2ccc(Cl)cc2OC)C[C@@H]1C ZINC000451551866 331033858 /nfs/dbraw/zinc/03/38/58/331033858.db2.gz YCXOBSGDPSZBSO-WFASDCNBSA-N 0 1 297.826 3.596 20 0 CHADMN COCCOCCN1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000451731759 331040420 /nfs/dbraw/zinc/04/04/20/331040420.db2.gz FOXKOTZPKXKPQP-INIZCTEOSA-N 0 1 297.826 3.530 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CC[C@H](O)CC(C)(C)C1 ZINC000451804143 331042804 /nfs/dbraw/zinc/04/28/04/331042804.db2.gz RRWCEXHGNRAHJE-AAEUAGOBSA-N 0 1 283.362 3.509 20 0 CHADMN O[C@H](CC1CCCC1)CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451859338 331045096 /nfs/dbraw/zinc/04/50/96/331045096.db2.gz SRDDGCOVDSKVLX-NVXWUHKLSA-N 0 1 289.419 3.748 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC[C@]2(CCOC2)C1 ZINC000451895008 331046479 /nfs/dbraw/zinc/04/64/79/331046479.db2.gz DGROQKGDEZDZQS-LRDDRELGSA-N 0 1 281.346 3.528 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC[C@@]2(CCOC2)C1 ZINC000451910823 331047029 /nfs/dbraw/zinc/04/70/29/331047029.db2.gz ZAKLOBKEZDEPJQ-BLLLJJGKSA-N 0 1 281.346 3.528 20 0 CHADMN Fc1ccc([C@H]2CCCN2C[C@H]2CCCCO2)c(F)c1 ZINC000451963667 331048397 /nfs/dbraw/zinc/04/83/97/331048397.db2.gz HVGMZSNUDIIJEP-CZUORRHYSA-N 0 1 281.346 3.671 20 0 CHADMN C[C@@H]1CCC(C)(C)N1Cc1nnc(-c2ccccc2)s1 ZINC000452010633 331050306 /nfs/dbraw/zinc/05/03/06/331050306.db2.gz QSXDKCUSBFEXBO-GFCCVEGCSA-N 0 1 287.432 3.968 20 0 CHADMN C[C@@H]1CCC(C)(C)N1Cc1ncccc1C(F)(F)F ZINC000452006986 331050335 /nfs/dbraw/zinc/05/03/35/331050335.db2.gz MRRFCGKNMKSFRL-SNVBAGLBSA-N 0 1 272.314 3.863 20 0 CHADMN Cc1cnc([C@@H](C)N(C)Cc2ccc(C)c(C)c2)cn1 ZINC000452051372 331052277 /nfs/dbraw/zinc/05/22/77/331052277.db2.gz YSWJAVANBSUWBG-OAHLLOKOSA-N 0 1 269.392 3.595 20 0 CHADMN CCC[C@@]1(COC)CCC[N@H+]1Cc1ccncc1Cl ZINC000194920247 331076526 /nfs/dbraw/zinc/07/65/26/331076526.db2.gz FOWAQWASYCVTTD-HNNXBMFYSA-N 0 1 282.815 3.516 20 0 CHADMN CC[C@H](N[C@@H](C)c1cccc(O)c1)c1c(C)noc1C ZINC000194938609 331080107 /nfs/dbraw/zinc/08/01/07/331080107.db2.gz XAMMOGAGSZMUMD-BONVTDFDSA-N 0 1 274.364 3.799 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H](C)c1cc(C)ccc1C ZINC000453052201 331084892 /nfs/dbraw/zinc/08/48/92/331084892.db2.gz BZRIMLFVLIDQJS-CABCVRRESA-N 0 1 271.408 3.932 20 0 CHADMN CCCOc1ccc([C@H](C)N[C@H](C)c2ccncn2)cc1 ZINC000453094985 331088636 /nfs/dbraw/zinc/08/86/36/331088636.db2.gz UKRBFMXCHUBJDZ-UONOGXRCSA-N 0 1 285.391 3.677 20 0 CHADMN O=C(Nc1ccc(Cl)cc1F)c1c(O)cccc1F ZINC000163777665 331091120 /nfs/dbraw/zinc/09/11/20/331091120.db2.gz MVNNQNWHXVTLHR-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1cn[nH]c1)c1ccc(F)cc1F ZINC000453136823 331092962 /nfs/dbraw/zinc/09/29/62/331092962.db2.gz KSLQMLRZISBWEM-BONVTDFDSA-N 0 1 279.334 3.736 20 0 CHADMN CO[C@@H]1C[C@H](N[C@@H](C)c2csc(C(C)C)n2)C12CCC2 ZINC000453138213 331093093 /nfs/dbraw/zinc/09/30/93/331093093.db2.gz HEGWJLNHEHVMIS-FPMFFAJLSA-N 0 1 294.464 3.875 20 0 CHADMN C[C@@H]1C[C@H](NC[C@@H]2SCCc3ccccc32)c2nccn21 ZINC000453139046 331093339 /nfs/dbraw/zinc/09/33/39/331093339.db2.gz RGXJDLWBRIWKBV-KCXAZCMYSA-N 0 1 299.443 3.509 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000453157079 331095176 /nfs/dbraw/zinc/09/51/76/331095176.db2.gz YBKUPNIDBDBTPS-WVZRYYJFSA-N 0 1 299.418 3.507 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H]1CCc2ccc(C)cc21 ZINC000453161014 331095707 /nfs/dbraw/zinc/09/57/07/331095707.db2.gz PUUSRVNJPXGXJP-CZUORRHYSA-N 0 1 269.392 3.550 20 0 CHADMN CC[C@@H](NC1(c2cccc(F)c2)CC1)c1ccncc1 ZINC000453172799 331096997 /nfs/dbraw/zinc/09/69/97/331096997.db2.gz YOORYJLVEYHGDP-MRXNPFEDSA-N 0 1 270.351 3.951 20 0 CHADMN Cc1cc([C@@H](N[C@@H](C)c2ccncn2)C2CC2)ccc1F ZINC000453178336 331097624 /nfs/dbraw/zinc/09/76/24/331097624.db2.gz OCKNXZBKHQANAE-SJCJKPOMSA-N 0 1 285.366 3.726 20 0 CHADMN C[C@@H]1CC[C@H](N[C@H](CCO)c2ccco2)c2sccc21 ZINC000453188636 331099095 /nfs/dbraw/zinc/09/90/95/331099095.db2.gz ABLOUYHBHYDAHF-BNOWGMLFSA-N 0 1 291.416 3.993 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccsc1)c1ccsc1 ZINC000453206280 331101390 /nfs/dbraw/zinc/10/13/90/331101390.db2.gz XZNOUJAPOFGSKG-CHWSQXEVSA-N 0 1 267.419 3.584 20 0 CHADMN CC[C@H](N[C@H]1CCCc2c(F)cccc21)c1ccn(C)n1 ZINC000453222723 331103270 /nfs/dbraw/zinc/10/32/70/331103270.db2.gz ANZYFIUBVGOACL-HOTGVXAUSA-N 0 1 287.382 3.678 20 0 CHADMN Cn1ccnc1[C@@H](NCCCCF)c1ccc(Cl)cc1 ZINC000453227077 331103887 /nfs/dbraw/zinc/10/38/87/331103887.db2.gz CJNDCJWEDLIJGF-AWEZNQCLSA-N 0 1 295.789 3.502 20 0 CHADMN CC[C@H](N[C@@H]1CCOc2c(F)cccc21)c1ccncc1 ZINC000453232511 331104792 /nfs/dbraw/zinc/10/47/92/331104792.db2.gz VZRQZACSKMRWCY-JKSUJKDBSA-N 0 1 286.350 3.785 20 0 CHADMN CCC[C@H](CN[C@H](C)c1nc(C(F)(F)F)cs1)OC ZINC000453239709 331105759 /nfs/dbraw/zinc/10/57/59/331105759.db2.gz BHJYWVWVEIMYGG-RKDXNWHRSA-N 0 1 296.358 3.628 20 0 CHADMN CC[C@H](NCc1ccc2cc[nH]c2n1)c1ccsc1 ZINC000453264173 331108994 /nfs/dbraw/zinc/10/89/94/331108994.db2.gz ZVQPTGGXZGDJCH-AWEZNQCLSA-N 0 1 271.389 3.865 20 0 CHADMN Cc1c([C@@H](C)NCc2ccnc(C)c2)cnn1C(C)(C)C ZINC000453279094 331110436 /nfs/dbraw/zinc/11/04/36/331110436.db2.gz DWCCXYJWVOTLJN-CYBMUJFWSA-N 0 1 286.423 3.501 20 0 CHADMN Cc1ccncc1CN[C@H](C)c1cnn(C2CCCC2)c1 ZINC000453336787 331118593 /nfs/dbraw/zinc/11/85/93/331118593.db2.gz YWDBNWCATPZSSU-CQSZACIVSA-N 0 1 284.407 3.552 20 0 CHADMN Fc1ccc2c(c1)CCC[C@@H]2NCc1cnc(C2CC2)o1 ZINC000453347922 331120260 /nfs/dbraw/zinc/12/02/60/331120260.db2.gz IWFHTWVYCVFJCF-INIZCTEOSA-N 0 1 286.350 3.858 20 0 CHADMN c1nc(C2CC2)oc1CN[C@H]1CCCc2ccccc21 ZINC000453355682 331121538 /nfs/dbraw/zinc/12/15/38/331121538.db2.gz MOYQPXCITWLLDZ-INIZCTEOSA-N 0 1 268.360 3.719 20 0 CHADMN Cc1cc([C@H](C)NCc2cnc(C)cc2C)oc1C ZINC000453363391 331122904 /nfs/dbraw/zinc/12/29/04/331122904.db2.gz OERNLQVZDDSNQI-ZDUSSCGKSA-N 0 1 258.365 3.759 20 0 CHADMN CC[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1cccc(C)c1 ZINC000453365637 331123303 /nfs/dbraw/zinc/12/33/03/331123303.db2.gz SNIDQZYSVIQRPK-BPUTZDHNSA-N 0 1 269.392 3.938 20 0 CHADMN CCc1ncc(CN[C@H]2CCCc3ccc(C)cc32)o1 ZINC000453398766 331128294 /nfs/dbraw/zinc/12/82/94/331128294.db2.gz XIEXKTSAWGTWJC-INIZCTEOSA-N 0 1 270.376 3.713 20 0 CHADMN CCCc1ncc(CN[C@H](C)c2ccc(C)cc2)o1 ZINC000453399999 331128456 /nfs/dbraw/zinc/12/84/56/331128456.db2.gz YBHXOSHXBZNQLS-CYBMUJFWSA-N 0 1 258.365 3.786 20 0 CHADMN CC[C@]1(C(C)C)C[C@@H]1N[C@@H](C)c1csc(C)n1 ZINC000453425764 331131012 /nfs/dbraw/zinc/13/10/12/331131012.db2.gz NSNCMBJUFJQSRU-LEWSCRJBSA-N 0 1 252.427 3.927 20 0 CHADMN CC[C@]1(C(C)C)C[C@H]1NCc1ncc(CSC)s1 ZINC000453608911 331136306 /nfs/dbraw/zinc/13/63/06/331136306.db2.gz IWECKCBMDVIRQW-TZMCWYRMSA-N 0 1 284.494 3.920 20 0 CHADMN Cc1c(CN2CC3(CCCC3)[C@H]2c2ccccc2)cnn1C ZINC000453622419 331136995 /nfs/dbraw/zinc/13/69/95/331136995.db2.gz WTYSPGTZVAIARJ-GOSISDBHSA-N 0 1 295.430 3.846 20 0 CHADMN CC[C@H]1C[C@H](CNc2ccc3cnccc3c2)CCO1 ZINC000453622333 331137035 /nfs/dbraw/zinc/13/70/35/331137035.db2.gz VJTZUBSGVOTPBH-DYVFJYSZSA-N 0 1 270.376 3.852 20 0 CHADMN C[C@H](NCc1c[nH]c(-c2ccccc2)n1)c1cccc(O)c1 ZINC000195454440 331173932 /nfs/dbraw/zinc/17/39/32/331173932.db2.gz GWBYNORQFFEULT-ZDUSSCGKSA-N 0 1 293.370 3.633 20 0 CHADMN C[C@H](NCc1cnc(-c2ccccc2)[nH]1)c1cccc(O)c1 ZINC000195454440 331173933 /nfs/dbraw/zinc/17/39/33/331173933.db2.gz GWBYNORQFFEULT-ZDUSSCGKSA-N 0 1 293.370 3.633 20 0 CHADMN CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1ccc(O)c(Cl)c1 ZINC000456306327 331189623 /nfs/dbraw/zinc/18/96/23/331189623.db2.gz XMYSFZPLDDTYKW-IUODEOHRSA-N 0 1 295.810 3.798 20 0 CHADMN CC[C@H](CC(F)F)C(=O)Nc1cccc(Cl)c1O ZINC000457667442 331230602 /nfs/dbraw/zinc/23/06/02/331230602.db2.gz LJNYXSJRIIWPQK-SSDOTTSWSA-N 0 1 277.698 3.666 20 0 CHADMN CC[C@@H](CC(F)F)C(=O)Nc1cccc(Cl)c1O ZINC000457668170 331230637 /nfs/dbraw/zinc/23/06/37/331230637.db2.gz LJNYXSJRIIWPQK-ZETCQYMHSA-N 0 1 277.698 3.666 20 0 CHADMN Cc1cc(C2CCN(C(=O)CCCCC(C)C)CC2)n[nH]1 ZINC000457702186 331231710 /nfs/dbraw/zinc/23/17/10/331231710.db2.gz VJFTVAPRYDBZEN-UHFFFAOYSA-N 0 1 291.439 3.641 20 0 CHADMN CC(C)CCCCC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000457763751 331233619 /nfs/dbraw/zinc/23/36/19/331233619.db2.gz NPLOMAHAJFCYIW-UHFFFAOYSA-N 0 1 293.455 3.882 20 0 CHADMN C[C@@H](CC(=O)NCc1ccc2cncn2c1)C1CCCCC1 ZINC000457974801 331238486 /nfs/dbraw/zinc/23/84/86/331238486.db2.gz LKYTVEKOCVDGOE-AWEZNQCLSA-N 0 1 299.418 3.557 20 0 CHADMN CCCC[C@H](CC)CC(=O)NCc1ccc2cncn2c1 ZINC000457974307 331238499 /nfs/dbraw/zinc/23/84/99/331238499.db2.gz KQDFDLGULVMPCK-AWEZNQCLSA-N 0 1 287.407 3.557 20 0 CHADMN CCCN(Cc1ccccc1)Cc1cnc(C2CC2)nc1 ZINC000459280009 331274338 /nfs/dbraw/zinc/27/43/38/331274338.db2.gz AJFKIWTZEVJCLV-UHFFFAOYSA-N 0 1 281.403 3.766 20 0 CHADMN CCN(Cc1c(C)nc2scc(C3CC3)n12)C1CC1 ZINC000459300976 331275290 /nfs/dbraw/zinc/27/52/90/331275290.db2.gz MKXYTIPHOVPZPZ-UHFFFAOYSA-N 0 1 275.421 3.566 20 0 CHADMN C[C@@H]1CC[N@@H+](CCn2cc(Cl)cn2)[C@H](c2ccco2)C1 ZINC000459350521 331277464 /nfs/dbraw/zinc/27/74/64/331277464.db2.gz FTWKKBDTVQQEHR-OCCSQVGLSA-N 0 1 293.798 3.603 20 0 CHADMN C[C@@H]1CCN(CCn2cc(Cl)cn2)[C@H](c2ccco2)C1 ZINC000459350521 331277465 /nfs/dbraw/zinc/27/74/65/331277465.db2.gz FTWKKBDTVQQEHR-OCCSQVGLSA-N 0 1 293.798 3.603 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1cccc(O)c1Br ZINC000459359457 331278008 /nfs/dbraw/zinc/27/80/08/331278008.db2.gz QQRUIBOAOGZJLO-AOOOYVTPSA-N 0 1 284.197 3.528 20 0 CHADMN c1ccc(-c2cnc(CNC3CC4(CCC4)C3)nc2)cc1 ZINC000459480922 331284120 /nfs/dbraw/zinc/28/41/20/331284120.db2.gz ONHIIPIEOUYFSD-UHFFFAOYSA-N 0 1 279.387 3.566 20 0 CHADMN Cc1cc(CNCCCCCc2ccc(F)cc2)no1 ZINC000459487637 331284600 /nfs/dbraw/zinc/28/46/00/331284600.db2.gz HGLYFYKQVUHDQH-UHFFFAOYSA-N 0 1 276.355 3.625 20 0 CHADMN c1cc(C2CCC2)ccc1CNCc1cnc(C2CC2)nc1 ZINC000459504892 331285141 /nfs/dbraw/zinc/28/51/41/331285141.db2.gz IXTVSFZHMQDUHG-UHFFFAOYSA-N 0 1 293.414 3.911 20 0 CHADMN COc1ccc(C2CCC(NCC(F)F)CC2)cc1 ZINC000459541061 331286682 /nfs/dbraw/zinc/28/66/82/331286682.db2.gz FZQXXWFIKQCYJJ-UHFFFAOYSA-N 0 1 269.335 3.576 20 0 CHADMN CC[C@@H]1CCN1Cc1c(C)nc2scc(C3CC3)n12 ZINC000459561329 331287986 /nfs/dbraw/zinc/28/79/86/331287986.db2.gz ROZCVBCFWZTYLL-GFCCVEGCSA-N 0 1 275.421 3.566 20 0 CHADMN CC(C)(C)c1ncc(CN2CC(C3CCCCC3)C2)cn1 ZINC000459594117 331289949 /nfs/dbraw/zinc/28/99/49/331289949.db2.gz PMZVQNBUHAXOFL-UHFFFAOYSA-N 0 1 287.451 3.786 20 0 CHADMN Cc1cc(CNCC[C@@H](c2ccccc2)C(F)(F)F)no1 ZINC000459599832 331290094 /nfs/dbraw/zinc/29/00/94/331290094.db2.gz YMZGRDGJPCEOFG-AWEZNQCLSA-N 0 1 298.308 3.809 20 0 CHADMN C(=C/c1ccccc1)\CN1CC(COc2ccccc2)C1 ZINC000459629556 331291260 /nfs/dbraw/zinc/29/12/60/331291260.db2.gz HISPGRDIFYXIST-JXMROGBWSA-N 0 1 279.383 3.711 20 0 CHADMN C[C@H](NCc1cccc2[nH]ccc21)c1nc2c(s1)CCC2 ZINC000459644601 331291912 /nfs/dbraw/zinc/29/19/12/331291912.db2.gz FGASFEUGMBSZET-NSHDSACASA-N 0 1 297.427 3.964 20 0 CHADMN CC(C)(C)C1CN(Cc2c(C3CC3)nc3sccn23)C1 ZINC000459651486 331292293 /nfs/dbraw/zinc/29/22/93/331292293.db2.gz ZAPYVZABKPXWIY-UHFFFAOYSA-N 0 1 289.448 3.751 20 0 CHADMN Cc1nc2ccc(CNCc3ccc(C)c(C)n3)cc2s1 ZINC000459659372 331292707 /nfs/dbraw/zinc/29/27/07/331292707.db2.gz DERKQPDFFPQOSL-UHFFFAOYSA-N 0 1 297.427 3.906 20 0 CHADMN Cc1sc(NC(=O)CN(C)C2CC(C)(C)C2)c(C)c1C ZINC000459746839 331297886 /nfs/dbraw/zinc/29/78/86/331297886.db2.gz VNFIYROCAJZJQY-UHFFFAOYSA-N 0 1 294.464 3.732 20 0 CHADMN CC[C@H](NCc1c(C)noc1C)c1cccc(F)c1 ZINC000166621734 331307571 /nfs/dbraw/zinc/30/75/71/331307571.db2.gz SSZWFNVWGRHQPG-HNNXBMFYSA-N 0 1 262.328 3.671 20 0 CHADMN CC(C)C[C@H]1COCCN1Cc1ccc(C(F)F)cc1 ZINC000461393768 331312777 /nfs/dbraw/zinc/31/27/77/331312777.db2.gz YRCFTBINUDLIND-HNNXBMFYSA-N 0 1 283.362 3.871 20 0 CHADMN CCN(Cc1ccc(C(C)C)cc1)C[C@H](O)C(F)(F)F ZINC000461403081 331313024 /nfs/dbraw/zinc/31/30/24/331313024.db2.gz QUEZIKGCGZHMGK-AWEZNQCLSA-N 0 1 289.341 3.555 20 0 CHADMN C[C@H](c1c(F)cccc1F)N(C)CCCc1ccncc1 ZINC000462321449 331319625 /nfs/dbraw/zinc/31/96/25/331319625.db2.gz MXXSNSIIXMNZDM-CYBMUJFWSA-N 0 1 290.357 3.985 20 0 CHADMN C[C@@H]1CCN(CC(=O)c2cccn2C)CC12CCCCC2 ZINC000462461525 331322399 /nfs/dbraw/zinc/32/23/99/331322399.db2.gz XVXIIAVWNBDYDV-OAHLLOKOSA-N 0 1 288.435 3.500 20 0 CHADMN CO[C@H](C)CN[C@H](C)c1csc(-c2ccccc2F)n1 ZINC000462806323 331329959 /nfs/dbraw/zinc/32/99/59/331329959.db2.gz WJJMCPBZGOWXMY-GHMZBOCLSA-N 0 1 294.395 3.635 20 0 CHADMN c1nc(N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc2c1CCCC2 ZINC000462938461 331335378 /nfs/dbraw/zinc/33/53/78/331335378.db2.gz JCTINDHASWUFCI-KBAYOESNSA-N 0 1 298.430 3.720 20 0 CHADMN C[C@@H](Nc1cc2c(cn1)CCCC2)c1ccc2c(c1)OCO2 ZINC000462958735 331335966 /nfs/dbraw/zinc/33/59/66/331335966.db2.gz NPKMDKBQZWEVRC-GFCCVEGCSA-N 0 1 296.370 3.862 20 0 CHADMN CC1(C)[C@H](Nc2cc3c(cn2)CCCC3)[C@@H]2CCCO[C@@H]21 ZINC000462962729 331336162 /nfs/dbraw/zinc/33/61/62/331336162.db2.gz JAFHBNSIUPMXGS-UAGQMJEPSA-N 0 1 286.419 3.576 20 0 CHADMN Cc1cc(NC[C@@H](C)CCO)c2cc(Cl)cc(C)c2n1 ZINC000463012961 331336971 /nfs/dbraw/zinc/33/69/71/331336971.db2.gz RNASQWDWZCPVHY-JTQLQIEISA-N 0 1 292.810 3.935 20 0 CHADMN CCN(CC(C)(C)C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000463012866 331336974 /nfs/dbraw/zinc/33/69/74/331336974.db2.gz PRBPTWLCTTYXLM-UHFFFAOYSA-N 0 1 285.391 3.585 20 0 CHADMN COC1(C)CCN(Cc2ccc(C(F)(F)F)s2)CC1 ZINC000463035434 331338033 /nfs/dbraw/zinc/33/80/33/331338033.db2.gz ONWOTXQUEAWCQI-UHFFFAOYSA-N 0 1 293.354 3.768 20 0 CHADMN CCOc1cccc(CN2CC(c3ccccc3F)C2)c1 ZINC000463045124 331338531 /nfs/dbraw/zinc/33/85/31/331338531.db2.gz VESPQGSVOSXONF-UHFFFAOYSA-N 0 1 285.362 3.824 20 0 CHADMN CCC[C@@H]1C[C@H]1c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000463053531 331338789 /nfs/dbraw/zinc/33/87/89/331338789.db2.gz AGTQUDMWFLIETQ-ZYHUDNBSSA-N 0 1 282.347 3.825 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1Cc1cncc(C(F)(F)F)c1 ZINC000463105558 331340453 /nfs/dbraw/zinc/34/04/53/331340453.db2.gz NTOCNLOBRDMAAV-MFKMUULPSA-N 0 1 272.314 3.721 20 0 CHADMN C[C@@H]1CCCCCN1Cc1nnc(-c2ccccc2)s1 ZINC000464676967 331364609 /nfs/dbraw/zinc/36/46/09/331364609.db2.gz KSZUSMBILWOSDI-CYBMUJFWSA-N 0 1 287.432 3.970 20 0 CHADMN CC[C@H]1C[C@H](C)CN1Cc1nnc(-c2ccccc2)s1 ZINC000464682202 331364718 /nfs/dbraw/zinc/36/47/18/331364718.db2.gz FMDBNRSJHNGAPS-JSGCOSHPSA-N 0 1 287.432 3.826 20 0 CHADMN CCCCc1noc(CN2CCC[C@H](C)[C@@H]2CCC)n1 ZINC000464733197 331365688 /nfs/dbraw/zinc/36/56/88/331365688.db2.gz MVWDPMRRPUPIMF-KBPBESRZSA-N 0 1 279.428 3.813 20 0 CHADMN CC[C@@]1(C)CCCN(CC(=O)Nc2cccc(C)c2C)C1 ZINC000464781928 331367946 /nfs/dbraw/zinc/36/79/46/331367946.db2.gz XBICMMZWJVJWSP-SFHVURJKSA-N 0 1 288.435 3.754 20 0 CHADMN CC[C@H]1CN(CCSc2ccccc2F)CCS1 ZINC000464788496 331368193 /nfs/dbraw/zinc/36/81/93/331368193.db2.gz KGBUTZVRGLHRHJ-LBPRGKRZSA-N 0 1 285.453 3.745 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1C[C@H](C)CC[C@@H]1C ZINC000464817413 331369538 /nfs/dbraw/zinc/36/95/38/331369538.db2.gz ZIFIICSHEAYKLK-NEPJUHHUSA-N 0 1 294.826 3.707 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1C[C@H](C)CC[C@H]1C ZINC000464820765 331369570 /nfs/dbraw/zinc/36/95/70/331369570.db2.gz GAOZPQITPTVMQW-DGCLKSJQSA-N 0 1 294.826 3.707 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1C[C@@H](C)CC[C@@H]1C ZINC000464822790 331369717 /nfs/dbraw/zinc/36/97/17/331369717.db2.gz NGPYCENRFDMZSA-AAEUAGOBSA-N 0 1 294.826 3.707 20 0 CHADMN CCC[C@]1(C)CCCN(CC(=O)Nc2ccccc2)C1 ZINC000464831422 331369925 /nfs/dbraw/zinc/36/99/25/331369925.db2.gz ABGMTRDUXCCJHN-QGZVFWFLSA-N 0 1 274.408 3.527 20 0 CHADMN CCC[C@@]1(C)CCCN(CC(=O)N(C)c2ccccc2)C1 ZINC000464840232 331370704 /nfs/dbraw/zinc/37/07/04/331370704.db2.gz SXHZODIXJJLGCK-SFHVURJKSA-N 0 1 288.435 3.552 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3C[C@H](C)CC[C@@H]3C)n[nH]2)cc1 ZINC000464948875 331374316 /nfs/dbraw/zinc/37/43/16/331374316.db2.gz BNBMVURSKMVODX-KGLIPLIRSA-N 0 1 297.402 3.646 20 0 CHADMN CCC[C@H]1CCCN(Cc2ccsc2C(=O)OC)C1 ZINC000466471725 331397962 /nfs/dbraw/zinc/39/79/62/331397962.db2.gz DHTOFZHSAQMOMN-LBPRGKRZSA-N 0 1 281.421 3.547 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCC[C@@H](CCC)C2)n1 ZINC000466490424 331398313 /nfs/dbraw/zinc/39/83/13/331398313.db2.gz ZSDHGYXOFOEHGM-ZIAGYGMSSA-N 0 1 279.428 3.985 20 0 CHADMN CCCCc1noc([C@H](C)N2CCC[C@@H](CCC)C2)n1 ZINC000466490423 331398355 /nfs/dbraw/zinc/39/83/55/331398355.db2.gz ZSDHGYXOFOEHGM-UONOGXRCSA-N 0 1 279.428 3.985 20 0 CHADMN C[C@@H]1CCC[C@@H]1CC(=O)Nc1cccc(Cl)c1O ZINC000470406547 331481562 /nfs/dbraw/zinc/48/15/62/331481562.db2.gz BWZJMGMLHTZNQX-NXEZZACHSA-N 0 1 267.756 3.810 20 0 CHADMN CC(C)(C)c1ccc(CN[C@H](CO)c2ccsc2)cc1 ZINC000472045710 331527071 /nfs/dbraw/zinc/52/70/71/331527071.db2.gz VULQYUKFPCSVOG-MRXNPFEDSA-N 0 1 289.444 3.869 20 0 CHADMN Cc1noc([C@H](C)N[C@H]2CCC[C@H](CC(C)C)C2)n1 ZINC000475199089 331617616 /nfs/dbraw/zinc/61/76/16/331617616.db2.gz SIDVOHBESZPHTR-YUTCNCBUSA-N 0 1 265.401 3.634 20 0 CHADMN CCC[C@@H](C(=O)NC[C@H](c1ccsc1)N(C)C)C(C)C ZINC000479663474 331742535 /nfs/dbraw/zinc/74/25/35/331742535.db2.gz IWNCYJNAYHAXBS-HUUCEWRRSA-N 0 1 296.480 3.539 20 0 CHADMN Cc1ccc(OCCNCc2ccsc2Cl)cc1 ZINC000480636240 331781003 /nfs/dbraw/zinc/78/10/03/331781003.db2.gz DHIBENOINPJFGL-UHFFFAOYSA-N 0 1 281.808 3.879 20 0 CHADMN CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000481911523 331818212 /nfs/dbraw/zinc/81/82/12/331818212.db2.gz RAJIJFMGVIVZKA-OTYXRUKQSA-N 0 1 285.746 3.805 20 0 CHADMN CCCC[C@H](COC)NCc1nc(C(C)C)c(C)s1 ZINC000482896865 331851481 /nfs/dbraw/zinc/85/14/81/331851481.db2.gz VHNIYOOXNZRLCA-CYBMUJFWSA-N 0 1 284.469 3.870 20 0 CHADMN Cc1ccccc1-c1nc(CNC[C@@H]2CCCC[C@@H]2C)no1 ZINC000483305676 331868492 /nfs/dbraw/zinc/86/84/92/331868492.db2.gz FMYJLLQLSFYKQB-ZFWWWQNUSA-N 0 1 299.418 3.961 20 0 CHADMN CC(C)CCCN[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000483657067 331881099 /nfs/dbraw/zinc/88/10/99/331881099.db2.gz HQHGHFSTDBDYHN-CQSZACIVSA-N 0 1 287.407 3.747 20 0 CHADMN Cc1cc(C)c([C@H](C)NCc2ccc(F)cn2)cc1C ZINC000484811560 331905564 /nfs/dbraw/zinc/90/55/64/331905564.db2.gz RIIDQVUGXUMALW-AWEZNQCLSA-N 0 1 272.367 3.997 20 0 CHADMN CC[C@H](CN[C@H](C)c1c(F)cccc1Cl)OC ZINC000310466388 333058742 /nfs/dbraw/zinc/05/87/42/333058742.db2.gz GXRCOIAYZQDCPG-NXEZZACHSA-N 0 1 259.752 3.555 20 0 CHADMN CC(C)c1csc(CN[C@@H]2CS[C@H](C(C)C)C2)n1 ZINC000488427184 332007160 /nfs/dbraw/zinc/00/71/60/332007160.db2.gz FTCSEBYQQYINEL-AAEUAGOBSA-N 0 1 284.494 3.886 20 0 CHADMN COc1ccccc1[C@H](NC[C@@H]1C[C@H]1C)c1ccco1 ZINC000488522949 332015491 /nfs/dbraw/zinc/01/54/91/332015491.db2.gz WLBQJOLLSSTELB-IGCXYCKISA-N 0 1 271.360 3.623 20 0 CHADMN Cc1cc(F)ccc1CN(C)Cc1c[nH]nc1C(C)(C)C ZINC000488523003 332015611 /nfs/dbraw/zinc/01/56/11/332015611.db2.gz WVECZAFDUIIUOB-UHFFFAOYSA-N 0 1 289.398 3.787 20 0 CHADMN CCC(CC)[C@H](C)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488885879 332032036 /nfs/dbraw/zinc/03/20/36/332032036.db2.gz GECRRASZHAUWHD-VIFPVBQESA-N 0 1 277.343 3.713 20 0 CHADMN C[C@H](CC(C)(C)C)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488955033 332035300 /nfs/dbraw/zinc/03/53/00/332035300.db2.gz YAHIIDYUTNRKDS-SECBINFHSA-N 0 1 277.343 3.713 20 0 CHADMN CC(C)(C(=O)Nc1nc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000488962700 332035656 /nfs/dbraw/zinc/03/56/56/332035656.db2.gz UEWHHVCXBXVXBC-UHFFFAOYSA-N 0 1 297.333 3.618 20 0 CHADMN COc1ccc(CN(C)Cc2ccccc2F)cc1C ZINC000489031148 332038528 /nfs/dbraw/zinc/03/85/28/332038528.db2.gz OBSJTAZGVVPHOD-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C[C@H](C)C(C)(C)C)n[nH]1 ZINC000489253720 332044168 /nfs/dbraw/zinc/04/41/68/332044168.db2.gz PCLJWCNEHQGWFT-SRVKXCTJSA-N 0 1 294.443 3.568 20 0 CHADMN Fc1ccc(Cl)c(CN2CCCC3(CCOCC3)C2)c1 ZINC000489484544 332055802 /nfs/dbraw/zinc/05/58/02/332055802.db2.gz WWVDKZGPURNQHY-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN CCCCN(Cc1nc2c(cccc2F)n1CC)C1CC1 ZINC000489595585 332060770 /nfs/dbraw/zinc/06/07/70/332060770.db2.gz JTGSYFKRHYRXTK-UHFFFAOYSA-N 0 1 289.398 3.960 20 0 CHADMN Fc1cccc(CCCN2CCOC[C@@H]2c2ccccc2)c1 ZINC000490067001 332079684 /nfs/dbraw/zinc/07/96/84/332079684.db2.gz LFWDSKLBKIJCEW-LJQANCHMSA-N 0 1 299.389 3.832 20 0 CHADMN COc1cccc([C@H](C)N2CCc3ccc(O)cc3C2)c1 ZINC000490156497 332082973 /nfs/dbraw/zinc/08/29/73/332082973.db2.gz CZZILZSOZREGOR-ZDUSSCGKSA-N 0 1 283.371 3.520 20 0 CHADMN Cc1ccc(-c2nc(CN3CC[C@@H](C4CC4)C3)cs2)o1 ZINC000491110824 332150912 /nfs/dbraw/zinc/15/09/12/332150912.db2.gz QVUMLXNAHRRXQI-CYBMUJFWSA-N 0 1 288.416 3.943 20 0 CHADMN Cc1ccc(F)cc1CN(C)Cc1ccc(F)cc1 ZINC000491117974 332151465 /nfs/dbraw/zinc/15/14/65/332151465.db2.gz ZGOXXSXPNPYCKU-UHFFFAOYSA-N 0 1 261.315 3.905 20 0 CHADMN CC(C)CCSCC(=O)Nc1cccc(Cl)c1O ZINC000172112326 335095256 /nfs/dbraw/zinc/09/52/56/335095256.db2.gz YLASYVSRFCUUBN-UHFFFAOYSA-N 0 1 287.812 3.763 20 0 CHADMN Cc1ccc(C(=O)Nc2cccc(Cl)c2O)cc1C ZINC000172111294 335095329 /nfs/dbraw/zinc/09/53/29/335095329.db2.gz DCMFYMPBIAVNIU-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cc(F)cc(F)c1 ZINC000172108646 335095345 /nfs/dbraw/zinc/09/53/45/335095345.db2.gz QOMNLDBESDQITD-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN Cc1ncccc1CNCc1ccc(C2CC2)cc1F ZINC000491534933 332231110 /nfs/dbraw/zinc/23/11/10/332231110.db2.gz WYLSOCKOGDIMHN-UHFFFAOYSA-N 0 1 270.351 3.696 20 0 CHADMN CC[C@H](CSC)N(C)Cc1ccsc1Cl ZINC000575368589 335098525 /nfs/dbraw/zinc/09/85/25/335098525.db2.gz LNXJOWAGNOZZSX-SNVBAGLBSA-N 0 1 263.859 3.975 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1ccc2[nH]ccc2c1 ZINC000172355339 335102542 /nfs/dbraw/zinc/10/25/42/335102542.db2.gz QXJHOXPNXNMIHM-UHFFFAOYSA-N 0 1 286.718 3.779 20 0 CHADMN CCN(C(=O)c1cc(C2CCCCC2)[nH]n1)[C@H](C)C(C)C ZINC000575598522 335107491 /nfs/dbraw/zinc/10/74/91/335107491.db2.gz BOMXWQWSWAEJQY-CYBMUJFWSA-N 0 1 291.439 3.964 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C=Cc1ccc(C)cc1 ZINC000492339416 332393239 /nfs/dbraw/zinc/39/32/39/332393239.db2.gz HVUOTSBXWGYIAM-FPLPWBNLSA-N 0 1 291.301 3.616 20 0 CHADMN COc1cccc(CN2CCCCC[C@@H]2c2ccco2)n1 ZINC000172396902 335104294 /nfs/dbraw/zinc/10/42/94/335104294.db2.gz LEDBHXPDEUUZKX-OAHLLOKOSA-N 0 1 286.375 3.801 20 0 CHADMN CC(C)Cn1ncnc1CN(CC(C)(C)C)CC(C)(C)C ZINC000492877108 332417054 /nfs/dbraw/zinc/41/70/54/332417054.db2.gz DFBDKYXPULCQAC-UHFFFAOYSA-N 0 1 294.487 3.828 20 0 CHADMN Cc1cc(CN(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)no1 ZINC000575505880 335106421 /nfs/dbraw/zinc/10/64/21/335106421.db2.gz XNTLMHLPOPEVNV-KLPPZKSPSA-N 0 1 276.302 3.536 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CCCO[C@H](C)C1 ZINC000172533469 335108793 /nfs/dbraw/zinc/10/87/93/335108793.db2.gz DJVYPYDVJOLFKW-ABAIWWIYSA-N 0 1 269.335 3.527 20 0 CHADMN CC[C@@H](NCc1cc(C)cc(OC)c1)c1ccc(F)cn1 ZINC000494976605 332496599 /nfs/dbraw/zinc/49/65/99/332496599.db2.gz ZSXVGRIIAYAJEB-MRXNPFEDSA-N 0 1 288.366 3.779 20 0 CHADMN COc1cc(SC)ccc1NCc1ccc2nc[nH]c2c1 ZINC000575746587 335111394 /nfs/dbraw/zinc/11/13/94/335111394.db2.gz GLGMBFHJYVMHMG-UHFFFAOYSA-N 0 1 299.399 3.906 20 0 CHADMN CC(C)CCc1noc(CNC2[C@H](C)CCC[C@H]2C)n1 ZINC000553095191 334361112 /nfs/dbraw/zinc/36/11/12/334361112.db2.gz JWRMSUXAKAMESY-CHWSQXEVSA-N 0 1 279.428 3.573 20 0 CHADMN CCOc1ncccc1CN[C@@H](c1ccccc1)C(C)C ZINC000091283863 334375226 /nfs/dbraw/zinc/37/52/26/334375226.db2.gz WWGYBJBHXXEMPY-QGZVFWFLSA-N 0 1 284.403 3.967 20 0 CHADMN C[C@H]1C[C@]1(NCc1cccnc1)c1ccc(Cl)cc1 ZINC000500400768 332606978 /nfs/dbraw/zinc/60/69/78/332606978.db2.gz IATXLQDJDCKAQH-BLLLJJGKSA-N 0 1 272.779 3.760 20 0 CHADMN CC(C)OC[C@@H](C)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000501412532 332632282 /nfs/dbraw/zinc/63/22/82/332632282.db2.gz MQMFMCXMRHWDGD-VXGBXAGGSA-N 0 1 284.469 3.905 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2cc(C)cc(C)c2)nn1C ZINC000502711253 332670627 /nfs/dbraw/zinc/67/06/27/332670627.db2.gz HVDPBQNBLZMXIR-CABCVRRESA-N 0 1 271.408 3.757 20 0 CHADMN CC(C)C1CCN([C@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000502880218 332674887 /nfs/dbraw/zinc/67/48/87/332674887.db2.gz IJFMEUSTLDACAL-CYBMUJFWSA-N 0 1 299.418 3.502 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@H]1OC(F)F)c1nc2ccccc2o1 ZINC000503395423 332688540 /nfs/dbraw/zinc/68/85/40/332688540.db2.gz DSHJYSIOLLGZGK-OPQQBVKSSA-N 0 1 296.317 3.639 20 0 CHADMN Cc1nccc(N[C@H](C)CCCC(F)(F)F)c1Cl ZINC000503573139 332692749 /nfs/dbraw/zinc/69/27/49/332692749.db2.gz JOZVIDDFTNFKBC-MRVPVSSYSA-N 0 1 280.721 3.998 20 0 CHADMN COc1cccc(OC)c1CNC/C=C/c1ccccc1 ZINC000511960573 332948838 /nfs/dbraw/zinc/94/88/38/332948838.db2.gz LXALEPLUXRBXIP-JXMROGBWSA-N 0 1 283.371 3.507 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H](C)c2cccc(C)c2)c1 ZINC000512549675 332973262 /nfs/dbraw/zinc/97/32/62/332973262.db2.gz VCUNEQOEBDQERM-LBPRGKRZSA-N 0 1 297.354 3.645 20 0 CHADMN C[C@H](O)[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000513285833 333012410 /nfs/dbraw/zinc/01/24/10/333012410.db2.gz DUHUJEIWZLKESF-IINYFYTJSA-N 0 1 288.218 3.729 20 0 CHADMN C[C@H](O)[C@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000513285964 333012438 /nfs/dbraw/zinc/01/24/38/333012438.db2.gz HASPIPNLPMQRTF-IINYFYTJSA-N 0 1 288.218 3.729 20 0 CHADMN C[C@@H]1CCC[C@@H](CCN2CCOC[C@@H]2CC(F)F)C1 ZINC000513380934 333016574 /nfs/dbraw/zinc/01/65/74/333016574.db2.gz NGCACYVEFXCIAW-RDBSUJKOSA-N 0 1 275.383 3.559 20 0 CHADMN CCc1ccc([C@@H]2CCCN(Cc3ncc(C)o3)C2)cc1 ZINC000513411076 333017903 /nfs/dbraw/zinc/01/79/03/333017903.db2.gz JJSIGAPFCUDXCI-QGZVFWFLSA-N 0 1 284.403 3.925 20 0 CHADMN CSc1cc(Br)ccc1CN[C@@H](C)CF ZINC000336730801 335116338 /nfs/dbraw/zinc/11/63/38/335116338.db2.gz KKBBVAUHCHJPOQ-QMMMGPOBSA-N 0 1 292.217 3.619 20 0 CHADMN CCc1ccc([C@@H]2CCC[N@@H+](Cc3cc(C)no3)C2)cc1 ZINC000513418316 333018402 /nfs/dbraw/zinc/01/84/02/333018402.db2.gz AYZRXUIBZRUYKA-QGZVFWFLSA-N 0 1 284.403 3.925 20 0 CHADMN COC(=O)c1ccc(C[N@@H+](C)C/C(C)=C\c2ccccc2)o1 ZINC000513435591 333018948 /nfs/dbraw/zinc/01/89/48/333018948.db2.gz VPEULTYFRFEOQG-KAMYIIQDSA-N 0 1 299.370 3.602 20 0 CHADMN COC(=O)c1ccc(CN(C)C/C(C)=C\c2ccccc2)o1 ZINC000513435591 333018950 /nfs/dbraw/zinc/01/89/50/333018950.db2.gz VPEULTYFRFEOQG-KAMYIIQDSA-N 0 1 299.370 3.602 20 0 CHADMN Fc1ccc(F)c(CNCCOc2cccc(Cl)c2)c1 ZINC000513608349 333026441 /nfs/dbraw/zinc/02/64/41/333026441.db2.gz HAJZOLHCFDWYBB-UHFFFAOYSA-N 0 1 297.732 3.787 20 0 CHADMN CCC(C)(C)OCCNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000308722146 333038188 /nfs/dbraw/zinc/03/81/88/333038188.db2.gz DTOJBUZYAODPQY-GXTWGEPZSA-N 0 1 265.397 3.698 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cccc3c2OCCO3)cc1 ZINC000513787647 333039115 /nfs/dbraw/zinc/03/91/15/333039115.db2.gz CGFJVBKSGSSOOF-HNNXBMFYSA-N 0 1 297.398 3.959 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1Cc1csc2ccccc12 ZINC000513787196 333039350 /nfs/dbraw/zinc/03/93/50/333039350.db2.gz VENIKOQJZZZYPT-GXTWGEPZSA-N 0 1 275.417 3.901 20 0 CHADMN CCc1ccc([C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000309675371 333046846 /nfs/dbraw/zinc/04/68/46/333046846.db2.gz OYJVCNZKRJBXJX-IBGZPJMESA-N 0 1 281.399 3.823 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000514004155 333059013 /nfs/dbraw/zinc/05/90/13/333059013.db2.gz CJWHHYRVCJGSGD-GFCCVEGCSA-N 0 1 258.390 3.652 20 0 CHADMN C[C@@H]1CCN(Cc2csc(-c3ccccc3)n2)C1 ZINC000514004155 333059015 /nfs/dbraw/zinc/05/90/15/333059015.db2.gz CJWHHYRVCJGSGD-GFCCVEGCSA-N 0 1 258.390 3.652 20 0 CHADMN c1ccc(CCOCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000514069380 333063964 /nfs/dbraw/zinc/06/39/64/333063964.db2.gz BDJHUWSYMRYMGG-UHFFFAOYSA-N 0 1 295.426 3.694 20 0 CHADMN CC(=O)[C@@H](Sc1n[nH]c(CCC2CCCC2)n1)C(C)C ZINC000516768727 333082111 /nfs/dbraw/zinc/08/21/11/333082111.db2.gz TUDUZELZBTWENN-AWEZNQCLSA-N 0 1 295.452 3.633 20 0 CHADMN CC(=O)[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(C)C ZINC000516768727 333082113 /nfs/dbraw/zinc/08/21/13/333082113.db2.gz TUDUZELZBTWENN-AWEZNQCLSA-N 0 1 295.452 3.633 20 0 CHADMN C/C(=C\c1ccccc1Cl)c1nc(C2(N)CCC2)no1 ZINC000516769054 333082240 /nfs/dbraw/zinc/08/22/40/333082240.db2.gz NXQGGIDYPHYSEE-MDZDMXLPSA-N 0 1 289.766 3.621 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000516777992 333082357 /nfs/dbraw/zinc/08/23/57/333082357.db2.gz ZURZGZJLLXTNGP-BDJLRTHQSA-N 0 1 293.432 3.767 20 0 CHADMN COc1ccccc1CN[C@H](C)c1ccc(C)c(F)c1 ZINC000088254597 333087520 /nfs/dbraw/zinc/08/75/20/333087520.db2.gz IRLBUIRIHXBHRR-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN Cc1cccc(CCN(C)Cc2ccccc2Cl)n1 ZINC000517363996 333098036 /nfs/dbraw/zinc/09/80/36/333098036.db2.gz PCDMKCGDCNKOIM-UHFFFAOYSA-N 0 1 274.795 3.718 20 0 CHADMN C[C@@H]1CN(CCCOc2cccc(Cl)c2)CC(C)(C)O1 ZINC000520843220 333101762 /nfs/dbraw/zinc/10/17/62/333101762.db2.gz OVFITQCGLOVNSB-CYBMUJFWSA-N 0 1 297.826 3.608 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNCc2ccc3c[nH]nc3c2)o1 ZINC000517542831 333101791 /nfs/dbraw/zinc/10/17/91/333101791.db2.gz DPOWSKMPBWFDRG-IAQYHMDHSA-N 0 1 281.359 3.569 20 0 CHADMN CC(C)(C)C1CC(c2nc(C3(N)CCCCC3)no2)C1 ZINC000517731268 333106857 /nfs/dbraw/zinc/10/68/57/333106857.db2.gz KCFRMZULEXYTRT-UHFFFAOYSA-N 0 1 277.412 3.727 20 0 CHADMN C[C@@H](NCc1ccc2nc[nH]c2c1)c1c(F)cccc1F ZINC000520944655 333108118 /nfs/dbraw/zinc/10/81/18/333108118.db2.gz DTSKQFJZDBDEEA-SNVBAGLBSA-N 0 1 287.313 3.692 20 0 CHADMN C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000182811948 333117513 /nfs/dbraw/zinc/11/75/13/333117513.db2.gz FAIXBONGPZERFC-LIRRHRJNSA-N 0 1 299.389 3.901 20 0 CHADMN CC/C=C/CCN(C)CC(=O)Nc1ccccc1SC ZINC000184433786 333128657 /nfs/dbraw/zinc/12/86/57/333128657.db2.gz HZEONZJIKAFBAA-AATRIKPKSA-N 0 1 292.448 3.635 20 0 CHADMN CC(C)C[C@H](C)C(=O)Nc1cccc(Cl)c1O ZINC000184907250 333133017 /nfs/dbraw/zinc/13/30/17/333133017.db2.gz OUZLSKXJLJYQIY-VIFPVBQESA-N 0 1 255.745 3.666 20 0 CHADMN CC[C@H](Cc1ccccc1)N(C)Cc1nc(C(C)C)no1 ZINC000172928969 335124674 /nfs/dbraw/zinc/12/46/74/335124674.db2.gz STAGICLMCLRDMO-OAHLLOKOSA-N 0 1 287.407 3.646 20 0 CHADMN CC[N@@H+](Cc1cccc(Cl)c1Cl)CC(C)(C)O ZINC000219785787 333156891 /nfs/dbraw/zinc/15/68/91/333156891.db2.gz IWBDHRXMVUDXIZ-UHFFFAOYSA-N 0 1 276.207 3.586 20 0 CHADMN CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000186317998 333158342 /nfs/dbraw/zinc/15/83/42/333158342.db2.gz PUMHPEGPDDEXIX-ZIAGYGMSSA-N 0 1 297.512 3.893 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@H]2CCCS2)cs1 ZINC000186382557 333159847 /nfs/dbraw/zinc/15/98/47/333159847.db2.gz OJWQUNMDDQWZQL-WDEREUQCSA-N 0 1 270.467 3.813 20 0 CHADMN Cc1nnc([C@@H](C)N[C@H](C)CCc2ccccc2)s1 ZINC000337329548 335125609 /nfs/dbraw/zinc/12/56/09/335125609.db2.gz ZSOHXZBETLXDCG-VXGBXAGGSA-N 0 1 275.421 3.518 20 0 CHADMN CC(C)[C@H](N[C@H](CCO)c1ccco1)c1ccccc1 ZINC000186525251 333162578 /nfs/dbraw/zinc/16/25/78/333162578.db2.gz OLJOTWZCKULGRV-WBVHZDCISA-N 0 1 273.376 3.690 20 0 CHADMN CC[C@H](CN(CC)Cc1nc(C2CC2)no1)c1ccccc1 ZINC000186626845 333163741 /nfs/dbraw/zinc/16/37/41/333163741.db2.gz TZWYVDPEWZJYSI-CQSZACIVSA-N 0 1 299.418 3.963 20 0 CHADMN CCN(CC1CC1)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000186844365 333165650 /nfs/dbraw/zinc/16/56/50/333165650.db2.gz YVISMJSBAAGPQA-UHFFFAOYSA-N 0 1 297.402 3.566 20 0 CHADMN COC[C@H]1CCCN([C@H](C)c2cccc(Cl)c2F)C1 ZINC000187034986 333167570 /nfs/dbraw/zinc/16/75/70/333167570.db2.gz PLKRDANWFNDAJV-NEPJUHHUSA-N 0 1 285.790 3.899 20 0 CHADMN COCC1CCN([C@@H](C)c2cccc(Cl)c2F)CC1 ZINC000187028792 333167593 /nfs/dbraw/zinc/16/75/93/333167593.db2.gz KQHFSPVLSZSKMP-NSHDSACASA-N 0 1 285.790 3.899 20 0 CHADMN Cc1nc(SCCCc2cn[nH]c2)[nH]c1-c1ccccc1 ZINC000187134770 333168305 /nfs/dbraw/zinc/16/83/05/333168305.db2.gz PIOYYRLOOQXWRQ-UHFFFAOYSA-N 0 1 298.415 3.833 20 0 CHADMN Cc1ccc2c(c1)nc(CNCc1cccc(C)c1C)n2C ZINC000187576026 333172594 /nfs/dbraw/zinc/17/25/94/333172594.db2.gz SXCXLUOBBCJVLV-UHFFFAOYSA-N 0 1 293.414 3.788 20 0 CHADMN COc1ccc(F)cc1CN[C@@H]1c2ccccc2C[C@@H]1C ZINC000187597295 333172987 /nfs/dbraw/zinc/17/29/87/333172987.db2.gz MCEHHMUEKUNAPP-SGTLLEGYSA-N 0 1 285.362 3.857 20 0 CHADMN CCN(CC)CC(=O)Nc1ccc(CCC(C)C)cc1 ZINC000521741896 333186464 /nfs/dbraw/zinc/18/64/64/333186464.db2.gz REBYNTPJFJKIOV-UHFFFAOYSA-N 0 1 276.424 3.556 20 0 CHADMN C[C@@H](N[C@H](C)c1cc2ccccc2o1)c1cn[nH]c1 ZINC000222490157 333194718 /nfs/dbraw/zinc/19/47/18/333194718.db2.gz VATKGBLIKZIZKJ-GHMZBOCLSA-N 0 1 255.321 3.568 20 0 CHADMN Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@H](C)c1cn[nH]c1 ZINC000222509315 333195319 /nfs/dbraw/zinc/19/53/19/333195319.db2.gz ZXFIALIBYHDKMJ-ZJUUUORDSA-N 0 1 292.452 3.884 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cncc(F)c2)cc1 ZINC000222917949 333202068 /nfs/dbraw/zinc/20/20/68/333202068.db2.gz NGGVSBQGGXVVKE-NWDGAFQWSA-N 0 1 274.339 3.641 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](C[C@H](O)C1CCCCC1)C1CC1 ZINC000190901015 333212153 /nfs/dbraw/zinc/21/21/53/333212153.db2.gz NCWLWPMJGBDFNS-BBRMVZONSA-N 0 1 277.408 3.746 20 0 CHADMN C[C@@H](N[C@@H]1CCCCC1(C)C)c1nc(C(C)(C)C)no1 ZINC000191572636 333221599 /nfs/dbraw/zinc/22/15/99/333221599.db2.gz KWTPTQBCBJGUEB-VXGBXAGGSA-N 0 1 279.428 3.987 20 0 CHADMN C[C@H](NCC(C)(C)C)c1nc(C2CCCCC2)no1 ZINC000191580483 333221806 /nfs/dbraw/zinc/22/18/06/333221806.db2.gz LHVLSUOUBIRXST-NSHDSACASA-N 0 1 265.401 3.814 20 0 CHADMN C[C@H](NC1C[C@H](C)C[C@@H](C)C1)c1nc(C(C)(C)C)no1 ZINC000191575958 333221853 /nfs/dbraw/zinc/22/18/53/333221853.db2.gz MPHCQQHDROAPJE-UTUOFQBUSA-N 0 1 279.428 3.842 20 0 CHADMN C[C@H](N[C@@H]1CCCC1(C)C)c1nc(Cc2ccccc2)no1 ZINC000191597042 333222006 /nfs/dbraw/zinc/22/20/06/333222006.db2.gz CDGIRTZVDJTDBI-DZGCQCFKSA-N 0 1 299.418 3.890 20 0 CHADMN CC1(C)CN(Cc2ccco2)CC[C@@H]1C(F)(F)F ZINC000191664703 333223358 /nfs/dbraw/zinc/22/33/58/333223358.db2.gz DWTOGDUOWYSESJ-NSHDSACASA-N 0 1 261.287 3.690 20 0 CHADMN CC[C@H]1CN(CCCOc2cc(C)cc(C)c2)C[C@@H](C)O1 ZINC000522083330 333239339 /nfs/dbraw/zinc/23/93/39/333239339.db2.gz OEPMNRQXXDSDNP-SJORKVTESA-N 0 1 291.435 3.572 20 0 CHADMN C[C@@H](N[C@@H]1COCc2ccccc21)c1ccc(F)cc1 ZINC000225978588 333244270 /nfs/dbraw/zinc/24/42/70/333244270.db2.gz LIXPBVLZPDLLOZ-SJKOYZFVSA-N 0 1 271.335 3.748 20 0 CHADMN COc1cccc([C@H](C)N[C@@H]2COCc3ccccc32)c1 ZINC000225991462 333244729 /nfs/dbraw/zinc/24/47/29/333244729.db2.gz MAUYMLRRYWOUQT-SCLBCKFNSA-N 0 1 283.371 3.617 20 0 CHADMN CCN(Cc1cnn(C)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000195098210 333245384 /nfs/dbraw/zinc/24/53/84/333245384.db2.gz MQKUYQCDQZJGED-UHFFFAOYSA-N 0 1 298.217 3.749 20 0 CHADMN Cc1ccc2nc(SCCO[C@H]3CCCCO3)[nH]c2c1 ZINC000195112322 333245813 /nfs/dbraw/zinc/24/58/13/333245813.db2.gz QEXFKHLSFXQMLD-AWEZNQCLSA-N 0 1 292.404 3.507 20 0 CHADMN CCOc1ccc(CN[C@@H]2c3ccccc3O[C@@H]2C)cc1 ZINC000575900964 335129485 /nfs/dbraw/zinc/12/94/85/335129485.db2.gz VVAGSUVCTJINNN-ACJLOTCBSA-N 0 1 283.371 3.697 20 0 CHADMN CC[N@@H+](Cc1cccnc1OC)[C@H](C)Cc1ccsc1 ZINC000193567929 333253340 /nfs/dbraw/zinc/25/33/40/333253340.db2.gz CGJQRTKZHOTOEL-CYBMUJFWSA-N 0 1 290.432 3.605 20 0 CHADMN CCC[C@@](C)(O)CNCc1c(Cl)cccc1Cl ZINC000226251114 333254851 /nfs/dbraw/zinc/25/48/51/333254851.db2.gz GALZLMGSWFPDRN-CYBMUJFWSA-N 0 1 276.207 3.634 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1Cl)N1CCN(C2CC2)CC1 ZINC000195718869 333261738 /nfs/dbraw/zinc/26/17/38/333261738.db2.gz NTQNUJPXPZDSJW-NSHDSACASA-N 0 1 299.245 3.834 20 0 CHADMN CC[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C ZINC000194086433 333264978 /nfs/dbraw/zinc/26/49/78/333264978.db2.gz ZWHPKYKWZYKCAR-UHFFFAOYSA-N 0 1 279.771 3.620 20 0 CHADMN CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C ZINC000194086433 333264979 /nfs/dbraw/zinc/26/49/79/333264979.db2.gz ZWHPKYKWZYKCAR-UHFFFAOYSA-N 0 1 279.771 3.620 20 0 CHADMN CCCn1cc(CNCc2ccccc2C(F)(F)F)cn1 ZINC000227286008 333279638 /nfs/dbraw/zinc/27/96/38/333279638.db2.gz NNJWJJVAVFNEOU-UHFFFAOYSA-N 0 1 297.324 3.602 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000227826148 333288931 /nfs/dbraw/zinc/28/89/31/333288931.db2.gz AGXDWFUDJKQZAT-UGSOOPFHSA-N 0 1 283.371 3.697 20 0 CHADMN COc1cccc(CNC(C)(C)c2cccs2)c1OC ZINC000522630325 333293353 /nfs/dbraw/zinc/29/33/53/333293353.db2.gz JMBIVFXZWXLIIZ-UHFFFAOYSA-N 0 1 291.416 3.790 20 0 CHADMN C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000228727605 333296099 /nfs/dbraw/zinc/29/60/99/333296099.db2.gz KPZJKVLWODSZRM-WCQYABFASA-N 0 1 285.790 3.605 20 0 CHADMN C[C@H](O)C[C@H]1CCCCN1Cc1ccc(Cl)c(F)c1 ZINC000228727605 333296100 /nfs/dbraw/zinc/29/61/00/333296100.db2.gz KPZJKVLWODSZRM-WCQYABFASA-N 0 1 285.790 3.605 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2ccc(OC(F)F)cc2)C[C@@H](C)O1 ZINC000523017123 333304932 /nfs/dbraw/zinc/30/49/32/333304932.db2.gz XXKVCULSIZGHSV-YRGRVCCFSA-N 0 1 299.361 3.848 20 0 CHADMN C[C@@H](NCc1ccc(-c2ccccc2)cc1)c1cn[nH]c1 ZINC000229884998 333310799 /nfs/dbraw/zinc/31/07/99/333310799.db2.gz ZLRJTZMTOXDZPT-CQSZACIVSA-N 0 1 277.371 3.928 20 0 CHADMN CCC1(CNC(=O)c2ccc(O)c(Cl)c2)CCCC1 ZINC000230207807 333315616 /nfs/dbraw/zinc/31/56/16/333315616.db2.gz QAROVBVJWKHJDN-UHFFFAOYSA-N 0 1 281.783 3.746 20 0 CHADMN CC[C@H](N[C@H](C)c1ccc(C(=O)OC)o1)c1cccs1 ZINC000230624630 333319300 /nfs/dbraw/zinc/31/93/00/333319300.db2.gz HRXFVOGTLNPISI-MNOVXSKESA-N 0 1 293.388 3.930 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)CC(F)(F)F)c(F)c1 ZINC000231791264 333329639 /nfs/dbraw/zinc/32/96/39/333329639.db2.gz WGLKTQABXNHUBR-RKDXNWHRSA-N 0 1 279.277 3.826 20 0 CHADMN CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCCC2(CCCCC2)C1 ZINC000523591090 333333613 /nfs/dbraw/zinc/33/36/13/333333613.db2.gz UOLJJBHLWHEJJM-OAHLLOKOSA-N 0 1 294.483 3.726 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000233006530 333346940 /nfs/dbraw/zinc/34/69/40/333346940.db2.gz JCIXKCRUOGQVPW-HOCLYGCPSA-N 0 1 269.429 3.636 20 0 CHADMN OC[C@@H](NCc1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000304243683 333349923 /nfs/dbraw/zinc/34/99/23/333349923.db2.gz UCGIKXPQSIYBNR-GOSISDBHSA-N 0 1 293.366 3.770 20 0 CHADMN C[C@@H]1CCCC[C@H]1CC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000524405649 333361578 /nfs/dbraw/zinc/36/15/78/333361578.db2.gz HOVOINSVNVFBIG-OLZOCXBDSA-N 0 1 298.390 3.627 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc2c(n1)CCC2 ZINC000575967637 335135945 /nfs/dbraw/zinc/13/59/45/335135945.db2.gz XCIWQWWRWMJOGO-FZMZJTMJSA-N 0 1 298.352 3.733 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2cn(-c3ccccc3)nn2)CC1 ZINC000524481359 333363048 /nfs/dbraw/zinc/36/30/48/333363048.db2.gz SIOGMWSJQWDGOM-INIZCTEOSA-N 0 1 298.434 3.525 20 0 CHADMN CCC[C@@H](C(=O)OCC)N1CC[C@H](c2ccccc2C)C1 ZINC000524485781 333363164 /nfs/dbraw/zinc/36/31/64/333363164.db2.gz JQUFTMIVSBEJHS-RDJZCZTQSA-N 0 1 289.419 3.516 20 0 CHADMN CCC[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000524518404 333364341 /nfs/dbraw/zinc/36/43/41/333364341.db2.gz ZUJABRFEWKOVBQ-OCCSQVGLSA-N 0 1 285.391 3.652 20 0 CHADMN C[C@@H](C(=O)OC(C)(C)C)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000524595410 333368013 /nfs/dbraw/zinc/36/80/13/333368013.db2.gz JXNLMHMEDZOPMT-YCPHGPKFSA-N 0 1 289.419 3.595 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cccnc2)c(Cl)c1 ZINC000235524879 333370506 /nfs/dbraw/zinc/37/05/06/333370506.db2.gz OKYRZXJPOKCCOE-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN Fc1ccc(CNc2nccn2-c2ccccc2)cc1 ZINC000236170447 333373251 /nfs/dbraw/zinc/37/32/51/333373251.db2.gz KDUKMJWIEKCIFL-UHFFFAOYSA-N 0 1 267.307 3.624 20 0 CHADMN C[C@@H](NCC1CCC(C)CC1)c1nc(C(C)(C)C)no1 ZINC000236664680 333374597 /nfs/dbraw/zinc/37/45/97/333374597.db2.gz CQQDNNIKBRNWSJ-OTTFEQOBSA-N 0 1 279.428 3.844 20 0 CHADMN CCc1cnc(CN2CCC[C@H]2Cc2cccc(F)c2)o1 ZINC000524753466 333386428 /nfs/dbraw/zinc/38/64/28/333386428.db2.gz HFSURGKGYOZBSW-HNNXBMFYSA-N 0 1 288.366 3.583 20 0 CHADMN CCc1cnc(CN2C[C@H](c3ccc(F)cc3)C[C@H]2C)o1 ZINC000524756774 333386927 /nfs/dbraw/zinc/38/69/27/333386927.db2.gz PNCWBNUAGZYVBR-TZMCWYRMSA-N 0 1 288.366 3.754 20 0 CHADMN CCCN(Cc1ncc(CC)o1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000524758790 333387318 /nfs/dbraw/zinc/38/73/18/333387318.db2.gz XRSXBNHAWZUDNA-HUUCEWRRSA-N 0 1 294.439 3.653 20 0 CHADMN C[C@@H]1CSC[C@@H]1N[C@@H](c1ccccc1)c1ccccn1 ZINC000397820473 333429303 /nfs/dbraw/zinc/42/93/03/333429303.db2.gz UGYWUFRTVKQACT-COXVUDFISA-N 0 1 284.428 3.512 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H](c2ccccc2)c2ccccn2)CS1 ZINC000397824593 333429326 /nfs/dbraw/zinc/42/93/26/333429326.db2.gz LCRQSBBYFALSHJ-FRFSOERESA-N 0 1 284.428 3.655 20 0 CHADMN COCCC1CCN(Cc2nc3ccccc3s2)CC1 ZINC000528574149 333446600 /nfs/dbraw/zinc/44/66/00/333446600.db2.gz OUWDCPZIAUEZNJ-UHFFFAOYSA-N 0 1 290.432 3.545 20 0 CHADMN CC[C@@H](NCc1cc(OC)ccn1)c1cc(C)ccc1C ZINC000528801454 333459043 /nfs/dbraw/zinc/45/90/43/333459043.db2.gz NXPGEYIRIOIJRW-GOSISDBHSA-N 0 1 284.403 3.948 20 0 CHADMN CC[C@@H](NCc1cn2cccnc2n1)c1cc(C)ccc1C ZINC000528801966 333459054 /nfs/dbraw/zinc/45/90/54/333459054.db2.gz PGBNNUQCNCVYGH-QGZVFWFLSA-N 0 1 294.402 3.587 20 0 CHADMN C[C@H](NCCC1CCCC1)c1nc(Cc2ccccc2)no1 ZINC000173884179 335142702 /nfs/dbraw/zinc/14/27/02/335142702.db2.gz KLYDRVOUJMKIHK-AWEZNQCLSA-N 0 1 299.418 3.891 20 0 CHADMN CCCC(=O)Nc1cccc(CN[C@H](C)c2ccncc2)c1 ZINC000173929361 335143727 /nfs/dbraw/zinc/14/37/27/335143727.db2.gz YABRYJDFJCUYFE-CQSZACIVSA-N 0 1 297.402 3.671 20 0 CHADMN C[C@H](NCc1cc(F)ccc1F)c1cccs1 ZINC000037233274 333520275 /nfs/dbraw/zinc/52/02/75/333520275.db2.gz PBKRHDIDEIMVAL-VIFPVBQESA-N 0 1 253.317 3.877 20 0 CHADMN Cc1nc2c(n1Cc1cccnc1C(F)(F)F)CCCC2 ZINC000530109527 333523339 /nfs/dbraw/zinc/52/33/39/333523339.db2.gz OKKCKCVHRRBHIB-UHFFFAOYSA-N 0 1 295.308 3.532 20 0 CHADMN CO[C@H](Cn1c(C)nc2c1CCCC2)c1ccc(F)cc1 ZINC000530110239 333523358 /nfs/dbraw/zinc/52/33/58/333523358.db2.gz XFIZCQCKZRTNMB-QGZVFWFLSA-N 0 1 288.366 3.597 20 0 CHADMN COc1cc(C)ccc1CN[C@@H]1CCc2ccc(F)cc21 ZINC000124558454 333559774 /nfs/dbraw/zinc/55/97/74/333559774.db2.gz PSRWLORZUJPZLO-QGZVFWFLSA-N 0 1 285.362 3.920 20 0 CHADMN Cc1cc(C)cc([C@H](C)NCc2cccc(C)n2)c1 ZINC000127196178 333622965 /nfs/dbraw/zinc/62/29/65/333622965.db2.gz LBYMECZRIOWRGG-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN COc1ccsc1CNC1(c2ccc(F)cc2)CC1 ZINC000539511577 333675654 /nfs/dbraw/zinc/67/56/54/333675654.db2.gz GWBNXBZTPOLLRX-UHFFFAOYSA-N 0 1 277.364 3.675 20 0 CHADMN CCc1cc(CN[C@@H]2c3cc(C)ccc3C[C@@H]2C)on1 ZINC000539812309 333691924 /nfs/dbraw/zinc/69/19/24/333691924.db2.gz RMGWNAXRXSRFMS-SJCJKPOMSA-N 0 1 270.376 3.569 20 0 CHADMN CC[C@H](NCc1noc(-c2ccccc2C)n1)C(C)(C)C ZINC000540590639 333736067 /nfs/dbraw/zinc/73/60/67/333736067.db2.gz LKABPPFUVDCUGK-AWEZNQCLSA-N 0 1 287.407 3.959 20 0 CHADMN CCc1nnc(SCC[C@H]2CCC[C@@H](C)C2)[nH]1 ZINC000576124229 335158302 /nfs/dbraw/zinc/15/83/02/335158302.db2.gz CHDSUEWPJOPYHE-GHMZBOCLSA-N 0 1 253.415 3.676 20 0 CHADMN CCc1n[nH]c(SCC[C@H]2CCC[C@@H](C)C2)n1 ZINC000576124229 335158304 /nfs/dbraw/zinc/15/83/04/335158304.db2.gz CHDSUEWPJOPYHE-GHMZBOCLSA-N 0 1 253.415 3.676 20 0 CHADMN COC[C@@H](N[C@H](C)c1ncc(-c2ccccc2)o1)C(C)C ZINC000542527104 333830899 /nfs/dbraw/zinc/83/08/99/333830899.db2.gz ZHIFRQWVNMKPRJ-UKRRQHHQSA-N 0 1 288.391 3.663 20 0 CHADMN CC[C@H](N[C@@H](c1ccc(OC)cc1)C1CC1)c1ccn(C)n1 ZINC000543591419 333882600 /nfs/dbraw/zinc/88/26/00/333882600.db2.gz IELXHAXVIIIGJG-FUHWJXTLSA-N 0 1 299.418 3.621 20 0 CHADMN CC[C@H](N[C@H](c1ccccc1)C(C)C)c1ccn(C)n1 ZINC000543607313 333884319 /nfs/dbraw/zinc/88/43/19/333884319.db2.gz YLTMIQGVQNTWHX-RDJZCZTQSA-N 0 1 271.408 3.858 20 0 CHADMN CCc1cnc(CN[C@@H](C)[C@H](C)C2CCCCC2)o1 ZINC000544424808 333931114 /nfs/dbraw/zinc/93/11/14/333931114.db2.gz KVTRTTOTOKARMU-STQMWFEESA-N 0 1 264.413 3.932 20 0 CHADMN CCc1nc([C@@H](C)NCCc2cccc(F)c2F)cs1 ZINC000544470077 333932919 /nfs/dbraw/zinc/93/29/19/333932919.db2.gz XCHWLSCLMWFTHA-SNVBAGLBSA-N 0 1 296.386 3.877 20 0 CHADMN COCc1ccc(CN[C@H](C)c2c(C)cccc2C)o1 ZINC000544842539 333948869 /nfs/dbraw/zinc/94/88/69/333948869.db2.gz FGLUXVINRCUUQS-CQSZACIVSA-N 0 1 273.376 3.894 20 0 CHADMN Cc1cccc(C)c1[C@H](C)NCc1cn2ccsc2n1 ZINC000544895047 333950702 /nfs/dbraw/zinc/95/07/02/333950702.db2.gz DCWFOGKBAVTYMV-ZDUSSCGKSA-N 0 1 285.416 3.863 20 0 CHADMN CC[C@](C)(NCCOc1cccc(F)c1)c1nccs1 ZINC000072684869 333951023 /nfs/dbraw/zinc/95/10/23/333951023.db2.gz OGIKIIDTKNWQRA-HNNXBMFYSA-N 0 1 294.395 3.576 20 0 CHADMN CCCC[C@H]1CCC[C@H]1NCc1nc(C(C)(C)C)no1 ZINC000545884881 334004069 /nfs/dbraw/zinc/00/40/69/334004069.db2.gz SJMCKQQSKVQTRR-QWHCGFSZSA-N 0 1 279.428 3.816 20 0 CHADMN CC(C)c1nc([C@@H](C)NC2(C3CC3)CC2)cs1 ZINC000545985394 334010830 /nfs/dbraw/zinc/01/08/30/334010830.db2.gz KBCSAKONRJBPKO-SNVBAGLBSA-N 0 1 250.411 3.860 20 0 CHADMN Cc1noc([C@H](C)NCC2CCC(C(C)(C)C)CC2)n1 ZINC000564299041 334013548 /nfs/dbraw/zinc/01/35/48/334013548.db2.gz FVTNBGXGDGIYMV-XGNXJENSSA-N 0 1 279.428 3.881 20 0 CHADMN C(=C\[C@@H]1CCCCCN1Cc1cnccn1)\c1cccs1 ZINC000564300300 334016683 /nfs/dbraw/zinc/01/66/83/334016683.db2.gz BMUUSJWSFLAHCZ-PTZVLDCSSA-N 0 1 299.443 3.996 20 0 CHADMN CCN(CCC1CC1)Cc1nc(C)c2ccccc2n1 ZINC000546227681 334020931 /nfs/dbraw/zinc/02/09/31/334020931.db2.gz FDNXVUDCBJTPAD-UHFFFAOYSA-N 0 1 269.392 3.560 20 0 CHADMN Cc1cc(-c2noc(CC(C)(C)C)n2)cc2nc[nH]c21 ZINC000546432103 334032133 /nfs/dbraw/zinc/03/21/33/334032133.db2.gz NFIAIOCGZBQNNA-UHFFFAOYSA-N 0 1 270.336 3.510 20 0 CHADMN Cc1cc(-c2noc(C[C@@H]3CC[C@H](C)C3)n2)cc2nc[nH]c21 ZINC000546439615 334032650 /nfs/dbraw/zinc/03/26/50/334032650.db2.gz XVBKQLLNVCUVDI-CMPLNLGQSA-N 0 1 296.374 3.900 20 0 CHADMN CC(C)(C)CCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000546452634 334033386 /nfs/dbraw/zinc/03/33/86/334033386.db2.gz YHDOTWJQCQLAKA-UHFFFAOYSA-N 0 1 270.336 3.592 20 0 CHADMN C[C@@H](O)CCN(C)Cc1sc2ccccc2c1Cl ZINC000075777778 334050957 /nfs/dbraw/zinc/05/09/57/334050957.db2.gz VWNGGXDMODEQFU-SNVBAGLBSA-N 0 1 283.824 3.757 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CC[C@@H](C(C)C)C2)s1 ZINC000546809040 334051176 /nfs/dbraw/zinc/05/11/76/334051176.db2.gz WDKYLPBALFETFI-SNVBAGLBSA-N 0 1 292.370 3.948 20 0 CHADMN CC[C@@H](CC(F)(F)F)NCc1ccn(-c2ccccc2)n1 ZINC000546879755 334053405 /nfs/dbraw/zinc/05/34/05/334053405.db2.gz JORPRYKKOYRBCZ-LBPRGKRZSA-N 0 1 297.324 3.693 20 0 CHADMN Cc1ccc(C)c(C[N@H+](C)[C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000576234123 335175292 /nfs/dbraw/zinc/17/52/92/335175292.db2.gz WJYWMKALFLLMBP-CYBMUJFWSA-N 0 1 287.359 3.788 20 0 CHADMN Cc1cc(-c2noc(CC3CCCC3)n2)cc2nc[nH]c21 ZINC000547140091 334068832 /nfs/dbraw/zinc/06/88/32/334068832.db2.gz PGELOMZOXDFMPD-UHFFFAOYSA-N 0 1 282.347 3.654 20 0 CHADMN COc1cccc(-c2nc(CN3CCC[C@@H]3C)cs2)c1 ZINC000076117323 334073065 /nfs/dbraw/zinc/07/30/65/334073065.db2.gz MPSRCCWGNUEGSR-LBPRGKRZSA-N 0 1 288.416 3.803 20 0 CHADMN C[C@@H]1CCCN1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000076116682 334073122 /nfs/dbraw/zinc/07/31/22/334073122.db2.gz MJXSVOJJHVLKED-LLVKDONJSA-N 0 1 276.767 3.979 20 0 CHADMN C[C@H]1CCCN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000076114550 334073177 /nfs/dbraw/zinc/07/31/77/334073177.db2.gz IUMUIBAYUBJBHM-NSHDSACASA-N 0 1 276.767 3.979 20 0 CHADMN C[C@H](NCc1ccoc1)c1ccc(OC(F)F)cc1 ZINC000134283363 334086745 /nfs/dbraw/zinc/08/67/45/334086745.db2.gz VQOFQEABBTWYAZ-JTQLQIEISA-N 0 1 267.275 3.732 20 0 CHADMN C[N@@H+](CCc1ccncc1)Cc1cccc(C(F)(F)F)c1 ZINC000076716393 334087631 /nfs/dbraw/zinc/08/76/31/334087631.db2.gz AJKBSFNZDFBPBV-UHFFFAOYSA-N 0 1 294.320 3.775 20 0 CHADMN CC(C)c1cccc(C[NH2+]Cc2ccc3nc[nH]c3c2)c1 ZINC000547497189 334094546 /nfs/dbraw/zinc/09/45/46/334094546.db2.gz SREZNFZCRGIYLB-UHFFFAOYSA-N 0 1 279.387 3.976 20 0 CHADMN CCC[C@@H]1CCCC[C@@H]1NCc1nc([C@H](C)OCC)no1 ZINC000547508969 334096280 /nfs/dbraw/zinc/09/62/80/334096280.db2.gz WHCSUHPNXXWTDE-MJBXVCDLSA-N 0 1 295.427 3.616 20 0 CHADMN CC[C@]1(C)COCCN1Cc1cc2ccccc2s1 ZINC000547525099 334098462 /nfs/dbraw/zinc/09/84/62/334098462.db2.gz PAIFHBVWTXDCKE-MRXNPFEDSA-N 0 1 275.417 3.902 20 0 CHADMN CC1(C)CCCN1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000077382591 334104399 /nfs/dbraw/zinc/10/43/99/334104399.db2.gz OJZACDUBNCEZHN-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN COc1ccc(Br)cc1C[N@H+]1C[C@H](C)C[C@H]1C ZINC000134970799 334110113 /nfs/dbraw/zinc/11/01/13/334110113.db2.gz MMIVEIHYOYBNCN-GHMZBOCLSA-N 0 1 298.224 3.688 20 0 CHADMN COc1ccc(Br)cc1CN1C[C@H](C)C[C@H]1C ZINC000134970799 334110115 /nfs/dbraw/zinc/11/01/15/334110115.db2.gz MMIVEIHYOYBNCN-GHMZBOCLSA-N 0 1 298.224 3.688 20 0 CHADMN CCN(Cc1coc(-c2cccs2)n1)C1CCC1 ZINC000564329645 334113727 /nfs/dbraw/zinc/11/37/27/334113727.db2.gz CHTPFSVAKYLPEG-UHFFFAOYSA-N 0 1 262.378 3.778 20 0 CHADMN Cc1cc(Br)ccc1CN1[C@H](C)C[C@@H]1C ZINC000547770152 334116156 /nfs/dbraw/zinc/11/61/56/334116156.db2.gz QHIJLRWANPKPDT-PHIMTYICSA-N 0 1 268.198 3.740 20 0 CHADMN CC[C@@H](NCc1occc1C)c1ccc(OC)cc1 ZINC000135130752 334116973 /nfs/dbraw/zinc/11/69/73/334116973.db2.gz CHAPYCOSTHQUAU-OAHLLOKOSA-N 0 1 259.349 3.838 20 0 CHADMN Cc1ccc(CN2CCCc3occc3C2)cc1F ZINC000564331276 334118996 /nfs/dbraw/zinc/11/89/96/334118996.db2.gz WPJJOYPLFDWGHH-UHFFFAOYSA-N 0 1 259.324 3.676 20 0 CHADMN CC[C@H](NC/C=C/c1ccccc1)c1nccs1 ZINC000078004559 334120233 /nfs/dbraw/zinc/12/02/33/334120233.db2.gz CTFHGPSNNUASLX-MRZGDXHCSA-N 0 1 258.390 3.897 20 0 CHADMN Cc1ccc(-c2nnc([C@H](C)N(C)CCC3CC3)o2)cc1 ZINC000135290966 334123865 /nfs/dbraw/zinc/12/38/65/334123865.db2.gz UQPIMVYQMSFCCA-ZDUSSCGKSA-N 0 1 285.391 3.838 20 0 CHADMN CN(CCC1CC1)Cc1nc(C(C)(C)C)cs1 ZINC000135301901 334124762 /nfs/dbraw/zinc/12/47/62/334124762.db2.gz QYBNXRVVVWZKDH-UHFFFAOYSA-N 0 1 252.427 3.673 20 0 CHADMN C[C@H](c1ncc(-c2ccccc2)o1)N1[C@H](C)C[C@H]1C ZINC000548097424 334139517 /nfs/dbraw/zinc/13/95/17/334139517.db2.gz AWGDRNBABUIMKY-JHJVBQTASA-N 0 1 256.349 3.885 20 0 CHADMN C[C@@H](c1ncc(-c2ccccc2)o1)N1[C@H](C)C[C@H]1C ZINC000548097425 334139547 /nfs/dbraw/zinc/13/95/47/334139547.db2.gz AWGDRNBABUIMKY-UPJWGTAASA-N 0 1 256.349 3.885 20 0 CHADMN C[C@@H]1C[C@H](C)N1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000548096974 334139565 /nfs/dbraw/zinc/13/95/65/334139565.db2.gz CKFANRMWZJWVDY-GASCZTMLSA-N 0 1 294.398 3.922 20 0 CHADMN CC[C@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1C ZINC000240615416 334139671 /nfs/dbraw/zinc/13/96/71/334139671.db2.gz AASWUXOPJWSAOP-AWEZNQCLSA-N 0 1 294.826 3.851 20 0 CHADMN c1cc2c(o1)CCC[C@H]2NCc1cc(-c2ccccc2)n[nH]1 ZINC000135870502 334140544 /nfs/dbraw/zinc/14/05/44/334140544.db2.gz FUCGCXXNBHBHNR-MRXNPFEDSA-N 0 1 293.370 3.837 20 0 CHADMN C[C@]1(c2ccccc2)CCN(Cc2nc3ccccc3[nH]2)C1 ZINC000548158114 334143710 /nfs/dbraw/zinc/14/37/10/334143710.db2.gz KXIYMQQYOCVMCC-IBGZPJMESA-N 0 1 291.398 3.727 20 0 CHADMN CCN(C)Cc1ccc(Br)cc1Cl ZINC000136400822 334153294 /nfs/dbraw/zinc/15/32/94/334153294.db2.gz HJDZUBYVESDLLI-UHFFFAOYSA-N 0 1 262.578 3.554 20 0 CHADMN Clc1cc2c(c(CNCc3ccccc3)c1)OCC2 ZINC000136384416 334153428 /nfs/dbraw/zinc/15/34/28/334153428.db2.gz YMQPAILOKSYVTF-UHFFFAOYSA-N 0 1 273.763 3.565 20 0 CHADMN C[C@@H]1C[C@@H](C)N1Cc1c(Cl)ccc2cccnc21 ZINC000548425808 334155535 /nfs/dbraw/zinc/15/55/35/334155535.db2.gz COTQKZSULPUHPI-GHMZBOCLSA-N 0 1 260.768 3.871 20 0 CHADMN Cc1cc(OCC(=O)Nc2cccc(C(C)C)c2)cc(C)n1 ZINC000548470284 334158730 /nfs/dbraw/zinc/15/87/30/334158730.db2.gz LZKLDHKLPIRJMO-UHFFFAOYSA-N 0 1 298.386 3.839 20 0 CHADMN c1ccc([C@H]2CCCC[C@@H]2NCc2nc(C3CC3)no2)cc1 ZINC000548539256 334162477 /nfs/dbraw/zinc/16/24/77/334162477.db2.gz RNQVNGULSBUHAC-CVEARBPZSA-N 0 1 297.402 3.763 20 0 CHADMN CCc1ccc(CN(CC)[C@@H](C)c2cccnc2)cn1 ZINC000576266542 335179626 /nfs/dbraw/zinc/17/96/26/335179626.db2.gz GCMFVJQWDZUZJO-AWEZNQCLSA-N 0 1 269.392 3.622 20 0 CHADMN CC(C)(O)CN(Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000548634485 334164536 /nfs/dbraw/zinc/16/45/36/334164536.db2.gz DJMNOPBUDWIZGW-UHFFFAOYSA-N 0 1 288.218 3.729 20 0 CHADMN C[C@@H]1C[C@H](C)N1Cc1ccc(Cl)c2cccnc12 ZINC000548753216 334169782 /nfs/dbraw/zinc/16/97/82/334169782.db2.gz OZGHJOLAFZPCCH-PHIMTYICSA-N 0 1 260.768 3.871 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CCSC(C)C)[C@H](C)CO1 ZINC000548919703 334180576 /nfs/dbraw/zinc/18/05/76/334180576.db2.gz SNBIEMPLBKCMBP-WBVHZDCISA-N 0 1 293.476 3.898 20 0 CHADMN CN(Cc1sccc1Cl)CC1(O)CCCCCC1 ZINC000549065096 334184382 /nfs/dbraw/zinc/18/43/82/334184382.db2.gz HIWILZQAIYTHMD-UHFFFAOYSA-N 0 1 287.856 3.919 20 0 CHADMN FC(F)O[C@H]1CCN(C/C=C/c2ccc(Cl)cc2)C1 ZINC000549081328 334184928 /nfs/dbraw/zinc/18/49/28/334184928.db2.gz PWBXNDDETYYMTR-AORQRIRUSA-N 0 1 287.737 3.667 20 0 CHADMN CCc1ccc(CN2CC3(CCCC3)OC(C)(C)C2)nc1 ZINC000549611243 334199495 /nfs/dbraw/zinc/19/94/95/334199495.db2.gz AASBFGXKAFBWHK-UHFFFAOYSA-N 0 1 288.435 3.568 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CCCO[C@@H](C)C1 ZINC000246927329 334272121 /nfs/dbraw/zinc/27/21/21/334272121.db2.gz DJVYPYDVJOLFKW-NHYWBVRUSA-N 0 1 269.335 3.527 20 0 CHADMN COC1(CCN2CC[C@](F)(c3ccccc3F)C2)CCC1 ZINC000549688144 334201828 /nfs/dbraw/zinc/20/18/28/334201828.db2.gz OPCRYGQGSXZXRM-QGZVFWFLSA-N 0 1 295.373 3.655 20 0 CHADMN C[C@H](c1c(F)cccc1F)N(C)C[C@@H]1CCCC[C@H]1O ZINC000245542230 334202165 /nfs/dbraw/zinc/20/21/65/334202165.db2.gz JWASZACHFBZJTD-TYNCELHUSA-N 0 1 283.362 3.509 20 0 CHADMN CCSc1cccc(CN2CC[C@H](OC(F)F)C2)c1 ZINC000549850475 334206773 /nfs/dbraw/zinc/20/67/73/334206773.db2.gz XRPTWBSRFQCDLD-LBPRGKRZSA-N 0 1 287.375 3.612 20 0 CHADMN CCCCOc1ccccc1CN[C@@H]1CCC[C@@H]1F ZINC000549934409 334209763 /nfs/dbraw/zinc/20/97/63/334209763.db2.gz LQGSYSALNAANJM-LSDHHAIUSA-N 0 1 265.372 3.846 20 0 CHADMN Cc1sccc1CN[C@H]1COc2c1ccc(C)c2C ZINC000550142183 334214079 /nfs/dbraw/zinc/21/40/79/334214079.db2.gz BARBPOVGDLOOQR-HNNXBMFYSA-N 0 1 273.401 3.897 20 0 CHADMN Cc1cc(C[N@H+]2CCc3cc(F)ccc3C2)cc(C)c1O ZINC000550958553 334235011 /nfs/dbraw/zinc/23/50/11/334235011.db2.gz VUQKOKBVGJWAGH-UHFFFAOYSA-N 0 1 285.362 3.706 20 0 CHADMN Cc1cc(CN2CCc3cc(F)ccc3C2)cc(C)c1O ZINC000550958553 334235013 /nfs/dbraw/zinc/23/50/13/334235013.db2.gz VUQKOKBVGJWAGH-UHFFFAOYSA-N 0 1 285.362 3.706 20 0 CHADMN F[C@H]1CCC[C@H]1N[C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000551304242 334245893 /nfs/dbraw/zinc/24/58/93/334245893.db2.gz DLQHLPSEDLQKMK-YESZJQIVSA-N 0 1 289.394 3.869 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@H]1CCC[C@H]1F)CCS2 ZINC000551310259 334246378 /nfs/dbraw/zinc/24/63/78/334246378.db2.gz ZBPHMWCCNQXSNG-AGIUHOORSA-N 0 1 269.360 3.843 20 0 CHADMN COCC1(NCc2ccc(F)c(Cl)c2Cl)CCC1 ZINC000551588723 334255364 /nfs/dbraw/zinc/25/53/64/334255364.db2.gz ZDPLSQHICCRKPR-UHFFFAOYSA-N 0 1 292.181 3.791 20 0 CHADMN Cc1noc(C(C)(C)NC[C@H](C)CC2CCCCC2)n1 ZINC000551614720 334255929 /nfs/dbraw/zinc/25/59/29/334255929.db2.gz GJOONRACDJTNCQ-GFCCVEGCSA-N 0 1 279.428 3.809 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cn3ccccc3n2)cc1 ZINC000083477803 334262620 /nfs/dbraw/zinc/26/26/20/334262620.db2.gz BWJBZMPYWBFKAO-UHFFFAOYSA-N 0 1 293.414 3.922 20 0 CHADMN FC(F)(F)CC1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000551827753 334263507 /nfs/dbraw/zinc/26/35/07/334263507.db2.gz VALRNPTYOKUIKY-UHFFFAOYSA-N 0 1 299.336 3.786 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@H]1O)c1cc(Cl)sc1Cl ZINC000246550279 334264173 /nfs/dbraw/zinc/26/41/73/334264173.db2.gz WMTSZEIIOVGLTN-NBEYISGCSA-N 0 1 280.220 3.619 20 0 CHADMN CC[C@H](C)CN(C)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000246688882 334267254 /nfs/dbraw/zinc/26/72/54/334267254.db2.gz KCTOXYIMOKNQCN-UONOGXRCSA-N 0 1 287.407 3.699 20 0 CHADMN CC(C)CCc1ccccc1NS(=O)(=O)c1ccoc1 ZINC000552019358 334276418 /nfs/dbraw/zinc/27/64/18/334276418.db2.gz CFZORIDHQWGRAL-UHFFFAOYSA-N 0 1 293.388 3.669 20 0 CHADMN C[C@@H](CN1CCO[C@@H](c2ccsc2)C1)c1ccccc1 ZINC000246728061 334268205 /nfs/dbraw/zinc/26/82/05/334268205.db2.gz UFLVXGJMKAMILJ-WMLDXEAASA-N 0 1 287.428 3.925 20 0 CHADMN CCCCc1noc(CN2C[C@H](c3ccccc3)C[C@H]2C)n1 ZINC000246904412 334271504 /nfs/dbraw/zinc/27/15/04/334271504.db2.gz VKKXZRLKACQHSE-GDBMZVCRSA-N 0 1 299.418 3.790 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccccc1OC)c1cccc(C)c1 ZINC000552063859 334283881 /nfs/dbraw/zinc/28/38/81/334283881.db2.gz PWKWMAVPIQGBGM-QZTJIDSGSA-N 0 1 299.414 3.778 20 0 CHADMN CC(C)[C@H]1CC[C@H]1NCc1ncc(-c2ccccc2)cn1 ZINC000552065751 334284501 /nfs/dbraw/zinc/28/45/01/334284501.db2.gz MOPJCYUADCTLAS-IAGOWNOFSA-N 0 1 281.403 3.668 20 0 CHADMN CCCc1nc(CN2CCC[C@H]3CCC[C@H]32)cs1 ZINC000247574472 334286069 /nfs/dbraw/zinc/28/60/69/334286069.db2.gz SBSLUSDZHNQRAI-TZMCWYRMSA-N 0 1 264.438 3.860 20 0 CHADMN Cc1cc2cc(CN[C@H](C)c3ccoc3)ccc2[nH]1 ZINC000552074968 334286331 /nfs/dbraw/zinc/28/63/31/334286331.db2.gz CERILFIOGOMVQG-GFCCVEGCSA-N 0 1 254.333 3.920 20 0 CHADMN CC1(C)CN(Cc2c(F)ccc(O)c2F)[C@@H]2CCC[C@@H]21 ZINC000552139453 334294141 /nfs/dbraw/zinc/29/41/41/334294141.db2.gz HYLQUAPHGRIWIM-WCQYABFASA-N 0 1 281.346 3.681 20 0 CHADMN C[C@@H]1CCN(Cc2csc(C(C)(C)C)n2)[C@H]1C ZINC000248369700 334299122 /nfs/dbraw/zinc/29/91/22/334299122.db2.gz WOOKZCCXBWHVSI-MNOVXSKESA-N 0 1 252.427 3.671 20 0 CHADMN COc1cccc(C=C2CCN(Cc3cccn3C)CC2)c1 ZINC000552179897 334299628 /nfs/dbraw/zinc/29/96/28/334299628.db2.gz GSCBVGCAJDJPHX-UHFFFAOYSA-N 0 1 296.414 3.713 20 0 CHADMN C[C@@H]1CN(C(=O)c2ccc(O)c(Cl)c2)[C@@H]2CCCC[C@H]21 ZINC000248385895 334299772 /nfs/dbraw/zinc/29/97/72/334299772.db2.gz KJJYAIAEKQNNKB-SCDSUCTJSA-N 0 1 293.794 3.696 20 0 CHADMN CC(C)c1cnc(CN2CC[C@H](C)[C@H](C)C2)s1 ZINC000248482753 334303722 /nfs/dbraw/zinc/30/37/22/334303722.db2.gz JCGLLFONLPYPSD-NWDGAFQWSA-N 0 1 252.427 3.744 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@@H](C)[C@@H]2C)s1 ZINC000248508374 334304430 /nfs/dbraw/zinc/30/44/30/334304430.db2.gz YBYZNIJLTGIQPJ-NEPJUHHUSA-N 0 1 252.427 3.887 20 0 CHADMN C[C@@H](NCc1cc[nH]c1)c1nc(-c2ccccc2)cs1 ZINC000086253279 334306132 /nfs/dbraw/zinc/30/61/32/334306132.db2.gz GRBPBYTXWKJFRA-GFCCVEGCSA-N 0 1 283.400 3.989 20 0 CHADMN COC[C@@H]1CCCN([C@H](C)c2cccc(Cl)c2F)C1 ZINC000248567437 334306364 /nfs/dbraw/zinc/30/63/64/334306364.db2.gz PLKRDANWFNDAJV-VXGBXAGGSA-N 0 1 285.790 3.899 20 0 CHADMN C[C@@H](N[C@H]1CC[C@@H](C)C[C@@H]1C)c1nc(C(C)(C)C)no1 ZINC000248571412 334306666 /nfs/dbraw/zinc/30/66/66/334306666.db2.gz RBMHRFOXWKEOIG-XQHKEYJVSA-N 0 1 279.428 3.842 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000086756756 334315737 /nfs/dbraw/zinc/31/57/37/334315737.db2.gz UAYHFTQHPVJGLI-VXGBXAGGSA-N 0 1 281.783 3.588 20 0 CHADMN COC[C@H]1CCN1Cc1ccc(-c2cccc(F)c2C)o1 ZINC000552314519 334316010 /nfs/dbraw/zinc/31/60/10/334316010.db2.gz UMRHNZTUBKCGTF-CYBMUJFWSA-N 0 1 289.350 3.615 20 0 CHADMN C[C@H](N[C@H]1C[C@H](C)C[C@H](C)C1)c1nc(C(C)(C)C)no1 ZINC000248844160 334319560 /nfs/dbraw/zinc/31/95/60/334319560.db2.gz MPHCQQHDROAPJE-QNWHQSFQSA-N 0 1 279.428 3.842 20 0 CHADMN CC(C)[C@@H]1CN(Cc2cnc(C(C)(C)C)s2)CCCO1 ZINC000552444231 334327852 /nfs/dbraw/zinc/32/78/52/334327852.db2.gz XQTTZMRUBBFJQT-AWEZNQCLSA-N 0 1 296.480 3.688 20 0 CHADMN C[C@@H]1CCCC[C@@H]1CN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000249202861 334330141 /nfs/dbraw/zinc/33/01/41/334330141.db2.gz URYUPRFTICLSCW-DJIMGWMZSA-N 0 1 283.419 3.915 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1N[C@H](C)c1nc(C(C)C)no1 ZINC000249498424 334335035 /nfs/dbraw/zinc/33/50/35/334335035.db2.gz HNPJCXTUDJQPEH-FRRDWIJNSA-N 0 1 297.468 3.908 20 0 CHADMN COC[C@@H](N[C@@H](C)c1ccccc1N(C)C)c1ccccc1 ZINC000089667898 334348211 /nfs/dbraw/zinc/34/82/11/334348211.db2.gz XFSKRWLMOGFICT-MAUKXSAKSA-N 0 1 298.430 3.791 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000572533197 334354803 /nfs/dbraw/zinc/35/48/03/334354803.db2.gz XESNJHVAVCRHHC-AWEZNQCLSA-N 0 1 293.432 3.991 20 0 CHADMN Cc1ccc(C)c(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC000251142793 334357226 /nfs/dbraw/zinc/35/72/26/334357226.db2.gz DMBJCZATKVXPLT-PVAVHDDUSA-N 0 1 287.403 3.521 20 0 CHADMN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(O)c(Cl)c2)[C@H]1C ZINC000251567886 334364331 /nfs/dbraw/zinc/36/43/31/334364331.db2.gz BOHHFURJDBQFQE-GBIKHYSHSA-N 0 1 281.783 3.600 20 0 CHADMN CCCc1ccc([C@@H](C)NCc2cccc(N(C)C)n2)cc1 ZINC000090851043 334368497 /nfs/dbraw/zinc/36/84/97/334368497.db2.gz GSJWZJQZNDUCJS-OAHLLOKOSA-N 0 1 297.446 3.951 20 0 CHADMN CC=Cc1ccc(NC(=O)c2cc(-c3ccoc3)n[nH]2)cc1 ZINC000553693378 334395920 /nfs/dbraw/zinc/39/59/20/334395920.db2.gz BUUUJJMMPUVWMT-NSCUHMNNSA-N 0 1 293.326 3.955 20 0 CHADMN CCCC[C@H](C)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000553814227 334399629 /nfs/dbraw/zinc/39/96/29/334399629.db2.gz SNKWXJFTKJMRFN-NSHDSACASA-N 0 1 259.353 3.636 20 0 CHADMN CCCC1(C(=O)Nc2nc3ccc(C)cc3[nH]2)CCC1 ZINC000553812261 334399635 /nfs/dbraw/zinc/39/96/35/334399635.db2.gz SCADRURBGFGKDP-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cc4c(s3)CCC4)[nH]c2c1 ZINC000553814211 334399662 /nfs/dbraw/zinc/39/96/62/334399662.db2.gz RVDDBHCRKJVBJS-UHFFFAOYSA-N 0 1 297.383 3.674 20 0 CHADMN Cc1ccc2nc(NC(=O)CSCCC(C)C)[nH]c2c1 ZINC000553812294 334399666 /nfs/dbraw/zinc/39/96/66/334399666.db2.gz SWZIMNSXGZVYPU-UHFFFAOYSA-N 0 1 291.420 3.589 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccc(Cl)cc1)c1ccoc1 ZINC000554076804 334409574 /nfs/dbraw/zinc/40/95/74/334409574.db2.gz KWVFPWOZTOBVBD-IAQYHMDHSA-N 0 1 279.767 3.707 20 0 CHADMN CCCC[C@H](CC)CNC1(c2noc(C)n2)CCCC1 ZINC000555059247 334466855 /nfs/dbraw/zinc/46/68/55/334466855.db2.gz KITDZUOJTQDAMD-AWEZNQCLSA-N 0 1 279.428 3.953 20 0 CHADMN C[C@H](NCc1ccc(Cl)cc1Cl)c1cc[nH]c(=O)c1 ZINC000555607628 334484229 /nfs/dbraw/zinc/48/42/29/334484229.db2.gz BAOGJIIBGRLIJM-VIFPVBQESA-N 0 1 297.185 3.945 20 0 CHADMN CCC(CC)c1cc(CNC[C@@H](O)CC2CCCC2)on1 ZINC000564853478 334524109 /nfs/dbraw/zinc/52/41/09/334524109.db2.gz FSCXPFSWMPIYQQ-HNNXBMFYSA-N 0 1 294.439 3.609 20 0 CHADMN CC(C)c1nc(CN[C@@H]2CC(C)(C)OC2(C)C)cs1 ZINC000153289039 334582509 /nfs/dbraw/zinc/58/25/09/334582509.db2.gz DCBAQVIXZBIUNO-GFCCVEGCSA-N 0 1 282.453 3.702 20 0 CHADMN C[C@@H](O)[C@@H](N[C@@H](C)c1cccs1)c1ccccc1F ZINC000565955829 334611915 /nfs/dbraw/zinc/61/19/15/334611915.db2.gz VYRKQPMUMSBMAM-FIXISWKDSA-N 0 1 279.380 3.660 20 0 CHADMN CCc1ccc(CN[C@H]2c3ccc(F)cc3O[C@H]2C)cc1 ZINC000566996358 334672455 /nfs/dbraw/zinc/67/24/55/334672455.db2.gz XFFFCCNSQWETKW-KPZWWZAWSA-N 0 1 285.362 4.000 20 0 CHADMN Cc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)c(F)c1 ZINC000404944042 334674390 /nfs/dbraw/zinc/67/43/90/334674390.db2.gz RNIUKAIHRAVASI-UHFFFAOYSA-N 0 1 293.363 3.552 20 0 CHADMN CCOc1cc(Cl)ccc1CN[C@H](C)c1ccncc1 ZINC000155172287 334715041 /nfs/dbraw/zinc/71/50/41/334715041.db2.gz BYKYKWQSGSTUNE-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccoc1)c1cccc(N2CCCC2=O)c1 ZINC000156779263 334749649 /nfs/dbraw/zinc/74/96/49/334749649.db2.gz LRKVGFGKFKRKLX-KGLIPLIRSA-N 0 1 298.386 3.818 20 0 CHADMN COCC(C)(C)NCc1cc(Cl)c(OC)cc1Cl ZINC000157164226 334761749 /nfs/dbraw/zinc/76/17/49/334761749.db2.gz LVAHSDXCSPDKLD-UHFFFAOYSA-N 0 1 292.206 3.517 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000275621933 334792838 /nfs/dbraw/zinc/79/28/38/334792838.db2.gz IABBJPKLADXROO-ZYHUDNBSSA-N 0 1 275.783 3.850 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@H](CC(F)F)c1ccccc1 ZINC000568239494 334807519 /nfs/dbraw/zinc/80/75/19/334807519.db2.gz NGFQTQVRZWJCNA-SWLSCSKDSA-N 0 1 291.345 3.832 20 0 CHADMN CCSc1cccc(CN[C@H](C)c2cncnc2C)c1 ZINC000568240144 334807522 /nfs/dbraw/zinc/80/75/22/334807522.db2.gz ZLFNLGLUDZRJEW-GFCCVEGCSA-N 0 1 287.432 3.748 20 0 CHADMN C[C@H](NC[C@H]1C[C@H]1C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000573249267 334921520 /nfs/dbraw/zinc/92/15/20/334921520.db2.gz CAJABHTYOAGIIO-JFGNBEQYSA-N 0 1 291.782 3.697 20 0 CHADMN Cc1ncccc1CNC(C)(C)c1ccc(F)c(F)c1 ZINC000175988510 335226192 /nfs/dbraw/zinc/22/61/92/335226192.db2.gz PAVRADJPTCNWNX-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN C[N@@H+](CCCCCC(=O)[O-])Cc1ccc(Cl)c(F)c1 ZINC000576761244 335244918 /nfs/dbraw/zinc/24/49/18/335244918.db2.gz FMPMMUALGNKGOR-UHFFFAOYSA-N 0 1 287.762 3.556 20 0 CHADMN Cc1cc(C[N@H+](C)C[C@H](C)c2ccccc2)oc1C(=O)[O-] ZINC000576761237 335244933 /nfs/dbraw/zinc/24/49/33/335244933.db2.gz FHDBXSSCRWCTTJ-ZDUSSCGKSA-N 0 1 287.359 3.522 20 0 CHADMN Cc1csc(CN[C@@H](C)c2nc3ccccc3n2C)c1 ZINC000344607840 335259285 /nfs/dbraw/zinc/25/92/85/335259285.db2.gz GHMGFLQTJHCWCD-LBPRGKRZSA-N 0 1 285.416 3.794 20 0 CHADMN CC1(C)[C@H](c2ccccc2)CC[N@H+]1Cc1occc1C(=O)[O-] ZINC000580560896 335281255 /nfs/dbraw/zinc/28/12/55/335281255.db2.gz BMRJNUOMNYUKIY-HNNXBMFYSA-N 0 1 299.370 3.746 20 0 CHADMN C[C@H](NCCCC1CCCC1)c1nc(C(C)(C)C)no1 ZINC000192683699 335289855 /nfs/dbraw/zinc/28/98/55/335289855.db2.gz XGJUZCCDELPUMN-LBPRGKRZSA-N 0 1 279.428 3.988 20 0 CHADMN Cc1cnccc1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000580638036 335308063 /nfs/dbraw/zinc/30/80/63/335308063.db2.gz AFSHSYCWVLKJNQ-LBPRGKRZSA-N 0 1 272.314 3.554 20 0 CHADMN CC(C)[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1ccccc1 ZINC000345344968 335316572 /nfs/dbraw/zinc/31/65/72/335316572.db2.gz BGFLPIILBRWPRO-BMFZPTHFSA-N 0 1 269.392 3.876 20 0 CHADMN Cc1ccc(C(C)(C)C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000577226283 335326383 /nfs/dbraw/zinc/32/63/83/335326383.db2.gz GCSUOOJKKYLWKN-INIZCTEOSA-N 0 1 291.435 3.704 20 0 CHADMN CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1ccn(C)c1 ZINC000577247697 335329602 /nfs/dbraw/zinc/32/96/02/335329602.db2.gz LSWYMLZAODQWGJ-MRXNPFEDSA-N 0 1 272.392 3.617 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1CCC(F)(F)[C@@H](C)C1 ZINC000577326603 335338599 /nfs/dbraw/zinc/33/85/99/335338599.db2.gz PJFOCSYPJLOEAW-QWRGUYRKSA-N 0 1 257.299 3.864 20 0 CHADMN c1cc2c(s1)CCC[C@H]2NCc1ccc2c(n1)CCC2 ZINC000577477369 335356572 /nfs/dbraw/zinc/35/65/72/335356572.db2.gz SYUFINKADWQUNK-MRXNPFEDSA-N 0 1 284.428 3.799 20 0 CHADMN C[C@H](CC(=O)[O-])[N@@H+](C)Cc1ccccc1Oc1ccccc1 ZINC000577510357 335362507 /nfs/dbraw/zinc/36/25/07/335362507.db2.gz WUOBSZIGILRLAM-CQSZACIVSA-N 0 1 299.370 3.774 20 0 CHADMN Cc1nc(CN(C)[C@@H](C)C2(C)CC2)nc2ccccc12 ZINC000177229996 335368754 /nfs/dbraw/zinc/36/87/54/335368754.db2.gz YKMSTTJMHCUSHA-ZDUSSCGKSA-N 0 1 269.392 3.559 20 0 CHADMN C[C@]1(Cc2ccccc2)CCC[N@H+]1CCCCCC(=O)[O-] ZINC000577642779 335384804 /nfs/dbraw/zinc/38/48/04/335384804.db2.gz UXIGBPWXPGHACN-GOSISDBHSA-N 0 1 289.419 3.729 20 0 CHADMN Cc1ccc2nc(S[C@H]3C[C@@H](C)O[C@@H](C)C3)[nH]c2c1 ZINC000577641709 335384836 /nfs/dbraw/zinc/38/48/36/335384836.db2.gz SONFOOCIOCYYPJ-GDNZZTSVSA-N 0 1 276.405 3.919 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000577760501 335398436 /nfs/dbraw/zinc/39/84/36/335398436.db2.gz FOOMDRGSWTYQFT-WZRBSPASSA-N 0 1 279.405 3.599 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](CCC)CCc1cccs1 ZINC000577760448 335398461 /nfs/dbraw/zinc/39/84/61/335398461.db2.gz CSLVCNMLTAQZRC-AWEZNQCLSA-N 0 1 283.437 3.646 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccsc1)c1cccs1 ZINC000349427437 335467115 /nfs/dbraw/zinc/46/71/15/335467115.db2.gz XUGVDASAIFLWBW-VXGBXAGGSA-N 0 1 267.419 3.584 20 0 CHADMN CC(C)c1cnc(CNCC2(O)CCC(C)(C)CC2)s1 ZINC000578248307 335592487 /nfs/dbraw/zinc/59/24/87/335592487.db2.gz CBIHJGCOKHXAOR-UHFFFAOYSA-N 0 1 296.480 3.687 20 0 CHADMN Cc1cccc(CN[C@H]2c3ccc(F)cc3O[C@H]2C)c1 ZINC000578277367 335594433 /nfs/dbraw/zinc/59/44/33/335594433.db2.gz ZXUKKMMXXVEMBE-YVEFUNNKSA-N 0 1 271.335 3.746 20 0 CHADMN COc1ccccc1[C@H](N[C@H]1CCCOC1)c1ccccc1 ZINC000180694918 335617903 /nfs/dbraw/zinc/61/79/03/335617903.db2.gz TWPAAZJKWZLFMD-QFBILLFUSA-N 0 1 297.398 3.553 20 0 CHADMN CCCc1csc(CN2CCc3ccccc3CC2)n1 ZINC000578712971 335665529 /nfs/dbraw/zinc/66/55/29/335665529.db2.gz BJEUJDTWEHPMRG-UHFFFAOYSA-N 0 1 286.444 3.696 20 0 CHADMN CC[C@H](NCc1csc(C2CCCC2)n1)[C@H]1CCCO1 ZINC000182292876 335808625 /nfs/dbraw/zinc/80/86/25/335808625.db2.gz OZCAXKWKADCKKB-LSDHHAIUSA-N 0 1 294.464 3.848 20 0 CHADMN CC[C@H](N[C@@H](C)c1ncc(C(C)(C)C)o1)[C@H]1CCCO1 ZINC000182349883 335812526 /nfs/dbraw/zinc/81/25/26/335812526.db2.gz QCOQWIRIGXOOFS-RWMBFGLXSA-N 0 1 280.412 3.580 20 0 CHADMN CCSCCN[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184495638 335927218 /nfs/dbraw/zinc/92/72/18/335927218.db2.gz MGVPNQMWEXSDCT-SNVBAGLBSA-N 0 1 272.483 3.844 20 0 CHADMN CCCC[C@@H](NCc1nnc(C(C)C)o1)C1CCC1 ZINC000184896725 335939701 /nfs/dbraw/zinc/93/97/01/335939701.db2.gz NKGMCGJMHCEGSD-CYBMUJFWSA-N 0 1 265.401 3.642 20 0 CHADMN Cc1ccc(OC2CCN(Cc3cccn3C)CC2)cc1C ZINC000193349762 335968198 /nfs/dbraw/zinc/96/81/98/335968198.db2.gz YTSULWIQLCUKEE-UHFFFAOYSA-N 0 1 298.430 3.685 20 0 CHADMN C[C@@H](N[C@@H]1CCC1(C)C)c1nc(-c2ccccc2)no1 ZINC000581182728 336020524 /nfs/dbraw/zinc/02/05/24/336020524.db2.gz NTRZGLVFEAJRQN-DGCLKSJQSA-N 0 1 271.364 3.576 20 0 CHADMN Cc1cc(CNCc2cc(Cl)cc3c2OCC3)cs1 ZINC000381250152 336056812 /nfs/dbraw/zinc/05/68/12/336056812.db2.gz XOLUNOQWVQFDRV-UHFFFAOYSA-N 0 1 293.819 3.935 20 0 CHADMN CC[C@H](C)[C@H](CNCc1csc(C(C)(C)C)n1)OC ZINC000381279994 336057854 /nfs/dbraw/zinc/05/78/54/336057854.db2.gz KSVGAGQONGKBRM-AAEUAGOBSA-N 0 1 284.469 3.591 20 0 CHADMN CS[C@H](CN[C@H](C)c1cscn1)C(C)(C)C ZINC000381397901 336061451 /nfs/dbraw/zinc/06/14/51/336061451.db2.gz QBONHXFMTBPLIY-MWLCHTKSSA-N 0 1 258.456 3.571 20 0 CHADMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC000381478798 336066422 /nfs/dbraw/zinc/06/64/22/336066422.db2.gz DZWFOSAZPHCBIC-JQWIXIFHSA-N 0 1 281.783 3.801 20 0 CHADMN FCCN[C@H](c1ccc(Br)cc1F)C1CC1 ZINC000381494946 336066587 /nfs/dbraw/zinc/06/65/87/336066587.db2.gz LXLXBMALKFEHLS-LBPRGKRZSA-N 0 1 290.151 3.598 20 0 CHADMN C[C@H](c1nc(-c2ccc3[nH]cnc3c2)no1)C1CCC1 ZINC000581420112 336074071 /nfs/dbraw/zinc/07/40/71/336074071.db2.gz VEVYPGPJIPYNCM-VIFPVBQESA-N 0 1 268.320 3.517 20 0 CHADMN C[C@H](O)[C@@H](N[C@@H]1CCCc2ccccc21)c1ccccc1F ZINC000581434333 336077055 /nfs/dbraw/zinc/07/70/55/336077055.db2.gz RYORRQXKHDDQND-MJXNMMHHSA-N 0 1 299.389 3.915 20 0 CHADMN Fc1cc(CN[C@H]2CCC[C@H]2F)ccc1Br ZINC000382398413 336087421 /nfs/dbraw/zinc/08/74/21/336087421.db2.gz PADDMLOBNNZRGC-PWSUYJOCSA-N 0 1 290.151 3.568 20 0 CHADMN Cc1ccc([C@H]2CCCCC[N@H+]2CCCCC(=O)[O-])o1 ZINC000581554223 336102025 /nfs/dbraw/zinc/10/20/25/336102025.db2.gz YPOWKNPMQXCMQY-CQSZACIVSA-N 0 1 279.380 3.760 20 0 CHADMN CCCC1(C[NH2+]Cc2cccc([O-])c2Cl)CC1 ZINC000383239243 336106522 /nfs/dbraw/zinc/10/65/22/336106522.db2.gz CNWIFNUBEDUFNM-UHFFFAOYSA-N 0 1 253.773 3.716 20 0 CHADMN C[C@H]1C[C@H](C)N1Cc1cnc(-c2ccccc2F)s1 ZINC000581647783 336117291 /nfs/dbraw/zinc/11/72/91/336117291.db2.gz MXCQNHLPZVRRDN-QWRGUYRKSA-N 0 1 276.380 3.932 20 0 CHADMN C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccc2c(n1)CCC2 ZINC000581652970 336118207 /nfs/dbraw/zinc/11/82/07/336118207.db2.gz NRCUEDVCGPAJHL-AAEUAGOBSA-N 0 1 298.352 3.733 20 0 CHADMN Cc1nnsc1CN[C@H](CC(C)C)c1ccccc1 ZINC000384250140 336122805 /nfs/dbraw/zinc/12/28/05/336122805.db2.gz LUUOHYUECXWDBP-CQSZACIVSA-N 0 1 275.421 3.724 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCC1=CCCCC1 ZINC000385104030 336138374 /nfs/dbraw/zinc/13/83/74/336138374.db2.gz BLGJRDNFFVDPOA-PMPSAXMXSA-N 0 1 277.408 3.595 20 0 CHADMN C[C@H](C1CC1)[N@@H+](Cc1cc(C(=O)[O-])ccc1Cl)C1CC1 ZINC000581731797 336139618 /nfs/dbraw/zinc/13/96/18/336139618.db2.gz PXYGZEDEXAKOFU-SNVBAGLBSA-N 0 1 293.794 3.801 20 0 CHADMN CC(C)c1ccc([C@@H]2CCCC[N@H+]2CCC(=O)[O-])cc1 ZINC000581741643 336141275 /nfs/dbraw/zinc/14/12/75/336141275.db2.gz LAWSNDAIDUNECG-INIZCTEOSA-N 0 1 275.392 3.812 20 0 CHADMN COc1cccc([C@@H](C)NCc2cccc(C)c2F)c1 ZINC000385166156 336141392 /nfs/dbraw/zinc/14/13/92/336141392.db2.gz OGPNKDHQVIHXCA-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN CC(C)=CCN1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000581907275 336164207 /nfs/dbraw/zinc/16/42/07/336164207.db2.gz JAVCVJVVZGFJPZ-UHFFFAOYSA-N 0 1 281.403 3.505 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](CC)Cc1ccccc1Cl ZINC000581949211 336175131 /nfs/dbraw/zinc/17/51/31/336175131.db2.gz SSTXBACWGPMUPF-CQSZACIVSA-N 0 1 283.799 3.805 20 0 CHADMN Cc1cnn(C)c1CN(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000581970180 336180975 /nfs/dbraw/zinc/18/09/75/336180975.db2.gz PNFYAOMWEUBGID-GOSISDBHSA-N 0 1 295.430 3.771 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H]2CCCC[C@@H]2C2CC2)n1 ZINC000582002576 336188930 /nfs/dbraw/zinc/18/89/30/336188930.db2.gz SVYFQYIYBIDYED-RDBSUJKOSA-N 0 1 277.412 3.799 20 0 CHADMN CCC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(C(=O)[O-])cn1 ZINC000582008167 336190504 /nfs/dbraw/zinc/19/05/04/336190504.db2.gz BQNLZTMOOCQZES-UHFFFAOYSA-N 0 1 298.386 3.500 20 0 CHADMN CC(C)n1nccc1CN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000337208122 520103153 /nfs/dbraw/zinc/10/31/53/520103153.db2.gz PXUAXTSCEMJEFF-GFCCVEGCSA-N 0 1 289.345 3.627 20 0 CHADMN CCSc1cc(CNCc2ccsc2C)ccn1 ZINC000293356380 521734070 /nfs/dbraw/zinc/73/40/70/521734070.db2.gz UGAYYFLCTKBDIZ-UHFFFAOYSA-N 0 1 278.446 3.853 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCN1Cc1cscc1C(F)(F)F ZINC000356108892 533747289 /nfs/dbraw/zinc/74/72/89/533747289.db2.gz JUFFGSAFUYBKNX-KOLCDFICSA-N 0 1 293.354 3.502 20 0 CHADMN COc1cc(CN2CC=C(C)CC2)c(SC)cc1OC ZINC000353852394 533800117 /nfs/dbraw/zinc/80/01/17/533800117.db2.gz CDFWVLWTGCZTCW-UHFFFAOYSA-N 0 1 293.432 3.578 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2sccc2C)n[nH]1 ZINC000277140282 522438244 /nfs/dbraw/zinc/43/82/44/522438244.db2.gz DPKMATZHQHPWOC-MWLCHTKSSA-N 0 1 278.425 3.539 20 0 CHADMN CS[C@@H](C)CN[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000346665308 533923685 /nfs/dbraw/zinc/92/36/85/533923685.db2.gz ZQPQWTXZGSMHRO-BLLLJJGKSA-N 0 1 290.407 3.651 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)cn1 ZINC000336227805 533941769 /nfs/dbraw/zinc/94/17/69/533941769.db2.gz AKGOEBCJLNTRQD-DGCLKSJQSA-N 0 1 272.314 3.553 20 0 CHADMN C[C@H](N[C@@H](c1nccn1C)C1CC1)c1ccc2c(c1)CCC2 ZINC000353868584 533979386 /nfs/dbraw/zinc/97/93/86/533979386.db2.gz PVNQUSFFHBFNKG-SCLBCKFNSA-N 0 1 295.430 3.711 20 0 CHADMN Cc1cn[nH]c1CN1CCc2cc(-c3ccccc3)oc2C1 ZINC000356109476 533993337 /nfs/dbraw/zinc/99/33/37/533993337.db2.gz KSMOHFURSZOIMO-UHFFFAOYSA-N 0 1 293.370 3.536 20 0 CHADMN C[C@H](N[C@H](CO)c1ccccc1)c1nccc2ccccc21 ZINC000353250178 533997150 /nfs/dbraw/zinc/99/71/50/533997150.db2.gz FGJYBZTVYMPMMD-KBXCAEBGSA-N 0 1 292.382 3.619 20 0 CHADMN C[C@@H]1CCN(Cc2cc(O)cc(C(F)(F)F)c2)[C@@H]1C ZINC000356109783 534036917 /nfs/dbraw/zinc/03/69/17/534036917.db2.gz AKTRWRVQBXAVAC-NXEZZACHSA-N 0 1 273.298 3.641 20 0 CHADMN C[C@H]1CCCN(Cc2cscc2C(F)(F)F)C1 ZINC000356091722 534175654 /nfs/dbraw/zinc/17/56/54/534175654.db2.gz TYCFSQRWRUSICD-VIFPVBQESA-N 0 1 263.328 3.999 20 0 CHADMN CSc1ccc(CN2CCCc3occc3C2)cc1 ZINC000344235755 534206722 /nfs/dbraw/zinc/20/67/22/534206722.db2.gz LLKCZDYXCFRFEH-UHFFFAOYSA-N 0 1 273.401 3.950 20 0 CHADMN CSc1ccc(CN2CCS[C@@H](C)[C@H]2C)s1 ZINC000356122351 534207235 /nfs/dbraw/zinc/20/72/35/534207235.db2.gz GRHWOUSSSMYACO-ZJUUUORDSA-N 0 1 273.492 3.796 20 0 CHADMN Cc1ccc(-c2nnc(CN3CC[C@@H](C)[C@@H](C)C3)o2)cc1 ZINC000347586679 534223959 /nfs/dbraw/zinc/22/39/59/534223959.db2.gz VJJMHGITPYLHFW-KGLIPLIRSA-N 0 1 285.391 3.523 20 0 CHADMN C[C@@H](N(C)Cc1nc2ccc(Cl)cc2n1C)C1(C)CC1 ZINC000355080940 534286215 /nfs/dbraw/zinc/28/62/15/534286215.db2.gz NYKRAUGKCHDQAM-LLVKDONJSA-N 0 1 291.826 3.847 20 0 CHADMN CCCc1cccc(CNCc2cc(OC)ccc2OC)c1 ZINC000479555769 517619135 /nfs/dbraw/zinc/61/91/35/517619135.db2.gz UGADNKPHABYCCK-UHFFFAOYSA-N 0 1 299.414 3.946 20 0 CHADMN Cc1ccc([C@H]2CCCCN2Cc2ccc(C)nn2)cc1 ZINC000414390410 518189963 /nfs/dbraw/zinc/18/99/63/518189963.db2.gz WZMWYEVOYZFBCE-GOSISDBHSA-N 0 1 281.403 3.821 20 0 CHADMN Brc1cc(CN2CCC[C@H]2C2CCC2)ccn1 ZINC000293093099 518206062 /nfs/dbraw/zinc/20/60/62/518206062.db2.gz NFWSIYFDPKDIQW-ZDUSSCGKSA-N 0 1 295.224 3.609 20 0 CHADMN CC(C)(C)c1ncc(CN[C@H]2CCc3c2cccc3F)cn1 ZINC000284209025 519114131 /nfs/dbraw/zinc/11/41/31/519114131.db2.gz CCWKUIHMMVTFMI-INIZCTEOSA-N 0 1 299.393 3.690 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cc3ccccc3s2)n1 ZINC000339397875 519227820 /nfs/dbraw/zinc/22/78/20/519227820.db2.gz TXWAGRFYBGYGNV-LLVKDONJSA-N 0 1 287.388 3.997 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H]2CCCc3ccccc32)n1 ZINC000339389230 519237019 /nfs/dbraw/zinc/23/70/19/519237019.db2.gz DTPMBQJAPZZJKR-LSDHHAIUSA-N 0 1 285.391 3.584 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263579687 519261401 /nfs/dbraw/zinc/26/14/01/519261401.db2.gz VCCQILLCRXFQBF-INIZCTEOSA-N 0 1 275.392 3.785 20 0 CHADMN CC(C)(NC/C=C/c1ccc(F)cc1)c1nccs1 ZINC000128128156 519318859 /nfs/dbraw/zinc/31/88/59/519318859.db2.gz LNASAWSRRGPHKR-ONEGZZNKSA-N 0 1 276.380 3.820 20 0 CHADMN CC(C)C[C@H](N)c1noc(C[C@@H](C)c2ccccc2F)n1 ZINC000339394996 519376329 /nfs/dbraw/zinc/37/63/29/519376329.db2.gz JWENJDSCRUOBQG-RISCZKNCSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2C[C@@H]2c2ccc(F)cc2)n1 ZINC000339391148 519377531 /nfs/dbraw/zinc/37/75/31/519377531.db2.gz XFCNIIJLNUIRQF-MCIONIFRSA-N 0 1 289.354 3.526 20 0 CHADMN CC(C)CCCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000295651810 519637763 /nfs/dbraw/zinc/63/77/63/519637763.db2.gz FJRXKDSLFHWSNI-UHFFFAOYSA-N 0 1 273.735 3.950 20 0 CHADMN CC(C)[N@H+](CC(=O)[O-])CC1CCC(c2ccccc2)CC1 ZINC000263578642 519637814 /nfs/dbraw/zinc/63/78/14/519637814.db2.gz SVXWBMADAWJBHL-UHFFFAOYSA-N 0 1 289.419 3.755 20 0 CHADMN CC(C)N(Cc1cccc(F)c1)Cc1ccc(F)cn1 ZINC000276398248 519656264 /nfs/dbraw/zinc/65/62/64/519656264.db2.gz TXNNNYZZBRQSCZ-UHFFFAOYSA-N 0 1 276.330 3.770 20 0 CHADMN CC(C)COc1ccc([C@@H](C)NCc2ccccn2)cc1 ZINC000020091650 519763572 /nfs/dbraw/zinc/76/35/72/519763572.db2.gz ZFISDUCADMYGHQ-OAHLLOKOSA-N 0 1 284.403 3.967 20 0 CHADMN CC(C)O[C@@H](CN1CCC[C@@H]1c1cc[nH]n1)c1ccccc1 ZINC000292881890 519776656 /nfs/dbraw/zinc/77/66/56/519776656.db2.gz PSAVNXXKPWASDA-MSOLQXFVSA-N 0 1 299.418 3.713 20 0 CHADMN CC(C)Oc1ccc(CN[C@@H](C)c2ccccn2)cc1 ZINC000037218805 519779924 /nfs/dbraw/zinc/77/99/24/519779924.db2.gz KIZFZPINOCQMNP-AWEZNQCLSA-N 0 1 270.376 3.720 20 0 CHADMN CC(C)[C@H](C)N(C(=O)c1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC000265440567 519811353 /nfs/dbraw/zinc/81/13/53/519811353.db2.gz KBYFMNGFRPYZJW-ZDUSSCGKSA-N 0 1 297.402 3.726 20 0 CHADMN CC(C)[C@H](NCc1ccco1)c1ccc2c(c1)OCCO2 ZINC000072727060 519821182 /nfs/dbraw/zinc/82/11/82/519821182.db2.gz JDNURXBKYQKFBM-KRWDZBQOSA-N 0 1 287.359 3.538 20 0 CHADMN CCC1(CN[C@H](c2ncc[nH]2)c2ccccc2)CCC1 ZINC000127585760 519843408 /nfs/dbraw/zinc/84/34/08/519843408.db2.gz ZIRLIEPOKVSWGN-HNNXBMFYSA-N 0 1 269.392 3.669 20 0 CHADMN CC(C)n1ccnc1CN(C)C[C@H](C)c1ccccc1 ZINC000263891770 520023782 /nfs/dbraw/zinc/02/37/82/520023782.db2.gz TXJWVWGDEVCBNQ-HNNXBMFYSA-N 0 1 271.408 3.700 20 0 CHADMN CCN(C(=O)c1cc(C)cc2cn[nH]c21)c1ccccc1 ZINC000338679280 520062468 /nfs/dbraw/zinc/06/24/68/520062468.db2.gz TWAJBUQMUKXRAF-UHFFFAOYSA-N 0 1 279.343 3.538 20 0 CHADMN CCCCCN(C(=O)c1cc(C(C)C)[nH]n1)C(C)C ZINC000299149147 520144360 /nfs/dbraw/zinc/14/43/60/520144360.db2.gz KKOSMVNFPNHEJV-UHFFFAOYSA-N 0 1 265.401 3.574 20 0 CHADMN CCCCCc1ccc(NC(=O)c2coc(CN)c2)cc1 ZINC000187246076 520326101 /nfs/dbraw/zinc/32/61/01/520326101.db2.gz YXMPTEHLYXOWIM-UHFFFAOYSA-N 0 1 286.375 3.723 20 0 CHADMN CC1(C)CCC[C@H](C(=O)Nc2ccc3nc[nH]c3c2)C1 ZINC000339404721 520352399 /nfs/dbraw/zinc/35/23/99/520352399.db2.gz IZZTYDGPFIWDBY-NSHDSACASA-N 0 1 271.364 3.718 20 0 CHADMN CCCCN(C(=O)c1cccc2[nH]c(C)nc21)[C@H](C)CC ZINC000338538394 520360012 /nfs/dbraw/zinc/36/00/12/520360012.db2.gz VOCQSKBADNSLOX-GFCCVEGCSA-N 0 1 287.407 3.912 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000334610068 534504502 /nfs/dbraw/zinc/50/45/02/534504502.db2.gz QNRNASONTOONFF-XHDPSFHLSA-N 0 1 293.794 3.514 20 0 CHADMN CCCCOCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000040506197 520783819 /nfs/dbraw/zinc/78/38/19/520783819.db2.gz DHOLTBUWYIJAON-SFHVURJKSA-N 0 1 284.403 3.577 20 0 CHADMN c1nc(CN2CCCC3(CCCC3)C2)oc1C1CC1 ZINC000336459948 534527065 /nfs/dbraw/zinc/52/70/65/534527065.db2.gz SSDKSMWYFCQEII-UHFFFAOYSA-N 0 1 260.381 3.708 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1nnc(-c2ccccc2)o1 ZINC000289965909 521003517 /nfs/dbraw/zinc/00/35/17/521003517.db2.gz QWJQWBAYGRPGAA-CYBMUJFWSA-N 0 1 273.380 3.747 20 0 CHADMN CCCCc1nc2ccc(NC(=O)C3CCC3)cc2[nH]1 ZINC000049486880 521311364 /nfs/dbraw/zinc/31/13/64/521311364.db2.gz HWZXVWKLJSOQKP-UHFFFAOYSA-N 0 1 271.364 3.644 20 0 CHADMN CCN(Cc1ccc(F)cn1)Cc1ccccc1C ZINC000276356892 521314460 /nfs/dbraw/zinc/31/44/60/521314460.db2.gz LOHZWENCVXHUJR-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN CCN(Cc1ccc(F)nc1C)[C@H](C)c1cccnc1 ZINC000290361312 521315038 /nfs/dbraw/zinc/31/50/38/521315038.db2.gz GVABAPDHOZLBSC-CYBMUJFWSA-N 0 1 273.355 3.507 20 0 CHADMN CCN(Cc1ccc(F)nc1C)[C@@H](C)c1cccnc1 ZINC000290361316 521316566 /nfs/dbraw/zinc/31/65/66/521316566.db2.gz GVABAPDHOZLBSC-ZDUSSCGKSA-N 0 1 273.355 3.507 20 0 CHADMN CCCN(C(=O)c1cnc[nH]1)[C@H](C)c1cc2ccccc2o1 ZINC000263683559 521447694 /nfs/dbraw/zinc/44/76/94/521447694.db2.gz NZDLKNBUNGOBHS-GFCCVEGCSA-N 0 1 297.358 3.769 20 0 CHADMN CCCc1nc(C)c(CNC/C=C/c2ccccc2)o1 ZINC000291763711 521493513 /nfs/dbraw/zinc/49/35/13/521493513.db2.gz RTRGTFIZDDPTSQ-YRNVUSSQSA-N 0 1 270.376 3.739 20 0 CHADMN CCOc1ccccc1CN[C@@H](C)c1ccsc1 ZINC000061360554 521505355 /nfs/dbraw/zinc/50/53/55/521505355.db2.gz MRVRMNBGDOQQEA-LBPRGKRZSA-N 0 1 261.390 3.998 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@@H](C)c1cncs1 ZINC000268879255 521572056 /nfs/dbraw/zinc/57/20/56/521572056.db2.gz FDXSCHUWZUJDPJ-NEPJUHHUSA-N 0 1 276.405 3.954 20 0 CHADMN CCOCC(C)(C)NCc1csc(-c2ccc(C)o2)n1 ZINC000339369609 521670705 /nfs/dbraw/zinc/67/07/05/521670705.db2.gz GBLUUBDTPVPGMF-UHFFFAOYSA-N 0 1 294.420 3.616 20 0 CHADMN Cc1occc1CN[C@@H]1CCCOc2c(F)cccc21 ZINC000334834995 534582977 /nfs/dbraw/zinc/58/29/77/534582977.db2.gz CLMULVCKMJRQSN-OAHLLOKOSA-N 0 1 275.323 3.731 20 0 CHADMN CCSc1cccc(F)c1NC(=O)c1oc(C)nc1C ZINC000291456532 521763619 /nfs/dbraw/zinc/76/36/19/521763619.db2.gz CVDOHNYBFBLWRC-UHFFFAOYSA-N 0 1 294.351 3.795 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1ncc(C2CC2)o1)C1CC1 ZINC000340855106 521922349 /nfs/dbraw/zinc/92/23/49/521922349.db2.gz ZEZCUNBNYPSKFI-RYUDHWBXSA-N 0 1 262.397 3.951 20 0 CHADMN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CCCC1 ZINC000043304378 522043700 /nfs/dbraw/zinc/04/37/00/522043700.db2.gz XUXQDRYPQXUITI-KBPBESRZSA-N 0 1 274.408 3.623 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2cccs2)n[nH]1 ZINC000277249962 522050928 /nfs/dbraw/zinc/05/09/28/522050928.db2.gz NWHNXLXVLRVOFR-GARJFASQSA-N 0 1 278.425 3.792 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2ccc(C)o2)n[nH]1 ZINC000277072987 522054160 /nfs/dbraw/zinc/05/41/60/522054160.db2.gz FBOLZQCTBYNJMV-ZMLRMANQSA-N 0 1 276.384 3.631 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@H](C)c1ccncc1F ZINC000340317581 522089746 /nfs/dbraw/zinc/08/97/46/522089746.db2.gz QMIDDZPVLKWORL-NWDGAFQWSA-N 0 1 273.355 3.590 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2C[C@H](C)c3ccccc32)o1 ZINC000291931923 522207654 /nfs/dbraw/zinc/20/76/54/522207654.db2.gz OXPDBANNPYKWEH-XHDPSFHLSA-N 0 1 270.376 3.884 20 0 CHADMN CCc1nc(C)c([C@H](C)N(C)CCC(F)(F)F)s1 ZINC000265983761 522229637 /nfs/dbraw/zinc/22/96/37/522229637.db2.gz GVHSKRZMDJWIIR-VIFPVBQESA-N 0 1 280.359 3.959 20 0 CHADMN COc1cc(C)c([C@H](C)NCc2ccc(C)o2)cc1OC ZINC000067690285 522231550 /nfs/dbraw/zinc/23/15/50/522231550.db2.gz YFCQAUGUAWUENX-ZDUSSCGKSA-N 0 1 289.375 3.764 20 0 CHADMN COC(=O)c1coc(CN(Cc2cccs2)C(C)C)c1 ZINC000263807155 522367103 /nfs/dbraw/zinc/36/71/03/522367103.db2.gz LREIOZQYYQPZPX-UHFFFAOYSA-N 0 1 293.388 3.538 20 0 CHADMN COc1cc(CN2CCC[C@H]2c2cccc(F)c2)ccn1 ZINC000339864332 522379028 /nfs/dbraw/zinc/37/90/28/522379028.db2.gz CVMDXOUNHJZARL-INIZCTEOSA-N 0 1 286.350 3.566 20 0 CHADMN COC(=O)c1coc([C@H](C)N[C@@H]2CCCc3ccccc32)c1 ZINC000278242470 522379623 /nfs/dbraw/zinc/37/96/23/522379623.db2.gz LMSUAGWFSQVXCX-BLLLJJGKSA-N 0 1 299.370 3.794 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)Nc2nc3cc(C)ccc3o2)n[nH]1 ZINC000276759594 522442030 /nfs/dbraw/zinc/44/20/30/522442030.db2.gz ACQMKCJNOSWACU-MNOVXSKESA-N 0 1 299.378 3.941 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cnc(C)[nH]1 ZINC000269513888 522623659 /nfs/dbraw/zinc/62/36/59/522623659.db2.gz DFDPATCELGDABR-INIZCTEOSA-N 0 1 299.418 3.510 20 0 CHADMN CC[C@H](NCc1ncccc1N(C)C)c1ccc(C)cc1 ZINC000289922795 522670413 /nfs/dbraw/zinc/67/04/13/522670413.db2.gz VAQPLJPSCSQBDO-INIZCTEOSA-N 0 1 283.419 3.697 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H]3CCC(C)(C)C3)cc2[nH]1 ZINC000332211543 534664803 /nfs/dbraw/zinc/66/48/03/534664803.db2.gz GJSAMSXMFAFMGP-LLVKDONJSA-N 0 1 271.364 3.636 20 0 CHADMN CCc1noc(C)c1CNCc1ccccc1C(F)(F)F ZINC000292925125 522845861 /nfs/dbraw/zinc/84/58/61/522845861.db2.gz IOCYUSIBWRSRGC-UHFFFAOYSA-N 0 1 298.308 3.854 20 0 CHADMN CCc1noc(C)c1CNCc1ccc(C(F)(F)F)cc1 ZINC000292966748 522845985 /nfs/dbraw/zinc/84/59/85/522845985.db2.gz LYAPMWDZKMPCTD-UHFFFAOYSA-N 0 1 298.308 3.854 20 0 CHADMN CCc1noc(C)c1CNCc1ccc(Cl)cc1C ZINC000292940895 522847167 /nfs/dbraw/zinc/84/71/67/522847167.db2.gz JWSOVSUAZALOCQ-UHFFFAOYSA-N 0 1 278.783 3.797 20 0 CHADMN CC[C@@H](NCc1cc(C(=O)OC)c(C)o1)c1ccccc1 ZINC000051627036 522868086 /nfs/dbraw/zinc/86/80/86/522868086.db2.gz HUFGXXHNNNRZEO-MRXNPFEDSA-N 0 1 287.359 3.616 20 0 CHADMN CC[C@@H](NCc1cccnc1OC)c1ccc(C)cc1 ZINC000037650383 522887887 /nfs/dbraw/zinc/88/78/87/522887887.db2.gz IHDNFTKUFGIXQO-MRXNPFEDSA-N 0 1 270.376 3.640 20 0 CHADMN CC[C@@H](NCc1nc2ccccc2n1C)c1ccccc1 ZINC000066991523 522894710 /nfs/dbraw/zinc/89/47/10/522894710.db2.gz BEOUXXRFWYSAFF-OAHLLOKOSA-N 0 1 279.387 3.814 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1Cl)N(C)Cc1nnc[nH]1 ZINC000275767749 522928811 /nfs/dbraw/zinc/92/88/11/522928811.db2.gz YMCOFIKCWSHEEC-GFCCVEGCSA-N 0 1 299.205 3.695 20 0 CHADMN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnc(C)[nH]1 ZINC000264853318 522946662 /nfs/dbraw/zinc/94/66/62/522946662.db2.gz NLLRWPQENMOBOA-WBVHZDCISA-N 0 1 297.402 3.517 20 0 CHADMN CC[C@H](c1ccccc1)[C@H]1CCCN1Cc1noc(C)n1 ZINC000058523853 522948988 /nfs/dbraw/zinc/94/89/88/522948988.db2.gz QTIGZQPNSUGHEG-HZPDHXFCSA-N 0 1 285.391 3.536 20 0 CHADMN COCc1ccc(CNC(C)(C)c2ccccc2C)o1 ZINC000293062711 522985293 /nfs/dbraw/zinc/98/52/93/522985293.db2.gz SHVOAYJNDLDWJC-UHFFFAOYSA-N 0 1 273.376 3.759 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2cccc(C)c2C)o1 ZINC000128245580 522991501 /nfs/dbraw/zinc/99/15/01/522991501.db2.gz BXMYTHJCHFCIIX-AWEZNQCLSA-N 0 1 273.376 3.894 20 0 CHADMN CCc1oc2ccccc2c1CNCc1ncccc1C ZINC000071339676 523009404 /nfs/dbraw/zinc/00/94/04/523009404.db2.gz JQCYESAPUGJNGW-UHFFFAOYSA-N 0 1 280.371 3.988 20 0 CHADMN CCc1oc2ccccc2c1CNCc1cnccc1OC ZINC000292615691 523010621 /nfs/dbraw/zinc/01/06/21/523010621.db2.gz ILQWVDNFLQZZJX-UHFFFAOYSA-N 0 1 296.370 3.689 20 0 CHADMN CCc1sc(-c2nnc(CN(C)CC3CC3)o2)cc1C ZINC000339292617 523064524 /nfs/dbraw/zinc/06/45/24/523064524.db2.gz ZHNLUVMHMAVWAN-UHFFFAOYSA-N 0 1 291.420 3.511 20 0 CHADMN CC[C@H]1CCCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000117343436 523086470 /nfs/dbraw/zinc/08/64/70/523086470.db2.gz AIDBFEYGXVSEBZ-INIZCTEOSA-N 0 1 288.435 3.754 20 0 CHADMN COCCCCCN(Cc1ccco1)Cc1ccco1 ZINC000103225343 523110877 /nfs/dbraw/zinc/11/08/77/523110877.db2.gz CSVHCXNXTCKZJB-UHFFFAOYSA-N 0 1 277.364 3.692 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1cnn(C(C)(C)C)c1 ZINC000290337057 523120292 /nfs/dbraw/zinc/12/02/92/523120292.db2.gz FECSZNQDNLVGHL-INIZCTEOSA-N 0 1 286.423 3.616 20 0 CHADMN CN(Cc1ccc(F)cn1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291871428 523263492 /nfs/dbraw/zinc/26/34/92/523263492.db2.gz PTPGJVOJQAWIQM-OLZOCXBDSA-N 0 1 290.304 3.774 20 0 CHADMN CC[C@H]1CN(Cc2cnns2)CC[C@H]1c1ccccc1 ZINC000290085826 523292085 /nfs/dbraw/zinc/29/20/85/523292085.db2.gz QZUQEDKGQSYQDI-XJKSGUPXSA-N 0 1 287.432 3.554 20 0 CHADMN C[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CCCCCC1 ZINC000036328779 523296316 /nfs/dbraw/zinc/29/63/16/523296316.db2.gz MDWJVTPSESDFDD-UHFFFAOYSA-N 0 1 261.365 3.539 20 0 CHADMN CN(Cc1coc(-c2ccc(F)c(F)c2)n1)CC1CCC1 ZINC000111298569 523521463 /nfs/dbraw/zinc/52/14/63/523521463.db2.gz FHJIEPAPCPJCKA-UHFFFAOYSA-N 0 1 292.329 3.852 20 0 CHADMN CN(Cc1coc(-c2ccccc2)n1)CC1CCC1 ZINC000111296620 523522710 /nfs/dbraw/zinc/52/27/10/523522710.db2.gz IYLRYFRXBDYDOF-UHFFFAOYSA-N 0 1 256.349 3.574 20 0 CHADMN CCn1ccnc1[C@H]1CCCCN1CCSC(C)C ZINC000339150161 523558456 /nfs/dbraw/zinc/55/84/56/523558456.db2.gz SFPKGHIOHKXILQ-CQSZACIVSA-N 0 1 281.469 3.572 20 0 CHADMN CN(Cc1nc2cc(C(F)(F)F)ccc2n1C)C1CCC1 ZINC000127452285 523559805 /nfs/dbraw/zinc/55/98/05/523559805.db2.gz QRFZWOIIVFEXDD-UHFFFAOYSA-N 0 1 297.324 3.576 20 0 CHADMN CCc1cc(NC(=O)c2cccc3nc[nH]c32)ccc1F ZINC000340762796 523818823 /nfs/dbraw/zinc/81/88/23/523818823.db2.gz ZTJGIYBXQAQPRW-UHFFFAOYSA-N 0 1 283.306 3.517 20 0 CHADMN Cc1ncc(CN[C@@H]2c3cccc(F)c3CC[C@H]2C)o1 ZINC000335277412 534745036 /nfs/dbraw/zinc/74/50/36/534745036.db2.gz KMVVOQIEDMBLSY-HWPZZCPQSA-N 0 1 274.339 3.535 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccccc2F)cc1OC ZINC000020122820 524090255 /nfs/dbraw/zinc/09/02/55/524090255.db2.gz HHBRDWREHOTOMA-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN COc1cccc([C@H](C)NCc2ccncc2Cl)c1 ZINC000148326265 524153256 /nfs/dbraw/zinc/15/32/56/524153256.db2.gz XGCUQTOIVJVFOT-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN COc1ccccc1-c1nc(CN2CCC[C@H]2C)cs1 ZINC000072874509 524280579 /nfs/dbraw/zinc/28/05/79/524280579.db2.gz JRYZVVZAGSFKOH-GFCCVEGCSA-N 0 1 288.416 3.803 20 0 CHADMN C[C@H](CN1CCCC[C@@H]1c1ncc[nH]1)c1ccc(F)cc1 ZINC000275766910 524339886 /nfs/dbraw/zinc/33/98/86/524339886.db2.gz VOIIJGAWYOEHDC-CZUORRHYSA-N 0 1 287.382 3.880 20 0 CHADMN C[C@@H](CC(C)(C)C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000337263757 524404192 /nfs/dbraw/zinc/40/41/92/524404192.db2.gz ZHCQAKCULFNRCQ-GXTWGEPZSA-N 0 1 296.480 3.539 20 0 CHADMN Cc1cccc2c1OCC[C@H]2N[C@@H](C)c1cncs1 ZINC000336583995 534781662 /nfs/dbraw/zinc/78/16/62/534781662.db2.gz CMFPEKKRBPDJNZ-WCQYABFASA-N 0 1 274.389 3.626 20 0 CHADMN Cc1cccc(CN[C@H](C)c2ccc(Cl)cn2)c1 ZINC000274933512 524438210 /nfs/dbraw/zinc/43/82/10/524438210.db2.gz RJFNUJKEQUVZGV-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1ccc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)cc1F ZINC000292893975 524473578 /nfs/dbraw/zinc/47/35/78/524473578.db2.gz ZIBRHDXAINVEMM-UONOGXRCSA-N 0 1 269.310 3.611 20 0 CHADMN Cc1ccc(CNCc2cccc(C(F)(F)F)c2)cn1 ZINC000057591370 524584644 /nfs/dbraw/zinc/58/46/44/524584644.db2.gz YFPJFQYPGPJMBV-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN Cc1ccc(CNCc2ccncc2)c(OC(C)(C)C)c1 ZINC000084958780 524585361 /nfs/dbraw/zinc/58/53/61/524585361.db2.gz RULVMOOFOFJZIO-UHFFFAOYSA-N 0 1 284.403 3.857 20 0 CHADMN Cc1ccc(CNCc2ccc3c(n2)CCCC3)cc1F ZINC000277753130 524585410 /nfs/dbraw/zinc/58/54/10/524585410.db2.gz RDNINCJTBUKLSX-UHFFFAOYSA-N 0 1 284.378 3.698 20 0 CHADMN Cc1cc(CN(Cc2cccnc2)C2CC2)ccc1F ZINC000290353334 524670911 /nfs/dbraw/zinc/67/09/11/524670911.db2.gz GGWPCMRTCXSXIV-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN Cc1cccc(O[C@@H](C)c2nc([C@H](N)CC(C)C)no2)c1 ZINC000339359003 524777146 /nfs/dbraw/zinc/77/71/46/524777146.db2.gz GJHBXRBRGGDABF-GXTWGEPZSA-N 0 1 289.379 3.564 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(Cl)c2)nc(C)n1 ZINC000340625123 524778893 /nfs/dbraw/zinc/77/88/93/524778893.db2.gz XNRPOGWGTSINFV-LLVKDONJSA-N 0 1 275.783 3.598 20 0 CHADMN Cc1cc(CN[C@H](c2nccn2C)C2CC2)ccc1Cl ZINC000129179593 524780851 /nfs/dbraw/zinc/78/08/51/524780851.db2.gz QZYNBFLTJOKWFY-HNNXBMFYSA-N 0 1 289.810 3.623 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000120216005 524782033 /nfs/dbraw/zinc/78/20/33/524782033.db2.gz NCNQBQFWCCVBCZ-OLZOCXBDSA-N 0 1 299.370 3.836 20 0 CHADMN COc1ccncc1CN[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000340408792 524858034 /nfs/dbraw/zinc/85/80/34/524858034.db2.gz QRGHNSLPFMYIOP-CXAGYDPISA-N 0 1 282.387 3.818 20 0 CHADMN COc1cncc(CN(C)[C@@H](C)c2ccccc2C)c1 ZINC000290413785 524920562 /nfs/dbraw/zinc/92/05/62/524920562.db2.gz UJKLQGGHDHKSKE-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN COc1cnccc1[C@H](C)NCc1cc(C)cc(Cl)c1 ZINC000339364257 524938194 /nfs/dbraw/zinc/93/81/94/524938194.db2.gz GSOWBFNIEVHSLQ-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@@H](C2CC2)O1 ZINC000279346467 524994946 /nfs/dbraw/zinc/99/49/46/524994946.db2.gz QCXXBRRTWVTAKQ-ABAIWWIYSA-N 0 1 281.346 3.624 20 0 CHADMN COc1ncc(CN(C)[C@H](C)c2ccc(C)cc2C)c(C)n1 ZINC000337137567 525004934 /nfs/dbraw/zinc/00/49/34/525004934.db2.gz OFXSELRDKPEUDS-OAHLLOKOSA-N 0 1 299.418 3.603 20 0 CHADMN Cc1cc(N(C)Cc2cccnc2)c2cc(F)ccc2n1 ZINC000119814144 525030110 /nfs/dbraw/zinc/03/01/10/525030110.db2.gz BXGDLOZGXSDPOU-UHFFFAOYSA-N 0 1 281.334 3.714 20 0 CHADMN Cc1ccccc1C(C)(C)c1nc([C@@H](N)CC(C)C)no1 ZINC000339391204 525073935 /nfs/dbraw/zinc/07/39/35/525073935.db2.gz LMXJSMWWKNJJEJ-AWEZNQCLSA-N 0 1 287.407 3.750 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c(O)cccc1F ZINC000128782920 525092569 /nfs/dbraw/zinc/09/25/69/525092569.db2.gz CGEPCYSFSKDPNH-JSGCOSHPSA-N 0 1 299.345 3.550 20 0 CHADMN Cc1ccccc1CN(C)Cc1ccnc(Cl)c1 ZINC000050165976 525128312 /nfs/dbraw/zinc/12/83/12/525128312.db2.gz VZSGSXNGLWYQMS-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1cc(NCCc2ccccn2)c2cc(F)ccc2n1 ZINC000119742414 525273218 /nfs/dbraw/zinc/27/32/18/525273218.db2.gz CHVLUKJJPSTXKQ-UHFFFAOYSA-N 0 1 281.334 3.732 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(F)cc2F)cc1 ZINC000050198536 525323609 /nfs/dbraw/zinc/32/36/09/525323609.db2.gz HBJSKAFNBMMFGM-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN C[C@H](NCCC(F)(F)F)c1c(F)cccc1F ZINC000063099070 525328208 /nfs/dbraw/zinc/32/82/08/525328208.db2.gz SQTXMLVPLPONCK-ZETCQYMHSA-N 0 1 253.214 3.568 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cn(C(C)C)nn1)C(C)C ZINC000289536130 525376186 /nfs/dbraw/zinc/37/61/86/525376186.db2.gz CFJCNRWEOBBCAV-KRWDZBQOSA-N 0 1 286.423 3.654 20 0 CHADMN C[C@@H](NC1CCC(C)CC1)c1nc(Cc2ccccc2)no1 ZINC000236830684 525396729 /nfs/dbraw/zinc/39/67/29/525396729.db2.gz CFHBAOORQJETDJ-NPCAHTBFSA-N 0 1 299.418 3.890 20 0 CHADMN Cc1ccccc1[C@H](C)Cc1nc([C@@H](N)CC(C)C)no1 ZINC000339395126 525405341 /nfs/dbraw/zinc/40/53/41/525405341.db2.gz KLNUDCCTVBTYSU-HIFRSBDPSA-N 0 1 287.407 3.770 20 0 CHADMN C[C@H](NCc1cc2ccccc2s1)c1cnccn1 ZINC000340425583 525433141 /nfs/dbraw/zinc/43/31/41/525433141.db2.gz YPZIYZSVYHVVTA-NSHDSACASA-N 0 1 269.373 3.542 20 0 CHADMN C[C@H](NCc1cccc(Cl)c1)c1ccncc1F ZINC000337945749 525456248 /nfs/dbraw/zinc/45/62/48/525456248.db2.gz NDWDSZDIAQGNPQ-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN Cc1cc([C@@H](C)NC[C@H](Nc2ccccc2)C(C)C)no1 ZINC000289856687 525465571 /nfs/dbraw/zinc/46/55/71/525465571.db2.gz RLJGKLPLVTUDBR-PBHICJAKSA-N 0 1 287.407 3.770 20 0 CHADMN Cc1cc([C@@H](C)Nc2cc(C(=O)[O-])cc[nH+]2)c(C)s1 ZINC000049512142 525477110 /nfs/dbraw/zinc/47/71/10/525477110.db2.gz JRFJGTUSFNASME-SECBINFHSA-N 0 1 276.361 3.631 20 0 CHADMN C[C@H](NCc1nccc(C(F)F)n1)[C@@H]1CCCC[C@H]1C ZINC000296140336 525490028 /nfs/dbraw/zinc/49/00/28/525490028.db2.gz VBYMJUAEESLEJV-GRYCIOLGSA-N 0 1 283.366 3.719 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2N[C@H](C)c1nccnc1C ZINC000275660235 525519891 /nfs/dbraw/zinc/51/98/91/525519891.db2.gz BDCHUNZDGNICMX-DYVFJYSZSA-N 0 1 297.402 3.522 20 0 CHADMN Cc1cccnc1CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000071339591 525524761 /nfs/dbraw/zinc/52/47/61/525524761.db2.gz IYDLWWMTTDCKSU-GFCCVEGCSA-N 0 1 292.329 3.842 20 0 CHADMN C[C@@H](NCc1ccc(OC2CCCC2)nc1)c1cccnc1 ZINC000112531241 525528844 /nfs/dbraw/zinc/52/88/44/525528844.db2.gz FFZBCVAVOKJWEI-CQSZACIVSA-N 0 1 297.402 3.649 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)c(F)c1)c1cncs1 ZINC000128082932 525532409 /nfs/dbraw/zinc/53/24/09/525532409.db2.gz MJFAEZPJYCZACE-IUCAKERBSA-N 0 1 268.332 3.833 20 0 CHADMN C[C@@H](NCc1ccoc1)c1cccc(OC(F)F)c1 ZINC000062103653 525546575 /nfs/dbraw/zinc/54/65/75/525546575.db2.gz ZYKLEIPBLBUEDE-SNVBAGLBSA-N 0 1 267.275 3.732 20 0 CHADMN Cc1cc2[nH]c(CNCc3ccco3)cc2c(C)c1 ZINC000359092787 525585733 /nfs/dbraw/zinc/58/57/33/525585733.db2.gz RLXXRMXLPLPVKN-UHFFFAOYSA-N 0 1 254.333 3.668 20 0 CHADMN C[C@H](N[C@@H]1CSc2ccccc21)c1cccc(O)c1 ZINC000156271142 525586621 /nfs/dbraw/zinc/58/66/21/525586621.db2.gz CIQGAPUTPFNOTJ-XHDPSFHLSA-N 0 1 271.385 3.890 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccnc1Cl)[C@@H](O)c1ccccc1 ZINC000290280956 525616907 /nfs/dbraw/zinc/61/69/07/525616907.db2.gz MFSORKBWTZSMRS-YWPYICTPSA-N 0 1 290.794 3.508 20 0 CHADMN C[C@@H]1SCCN(Cc2ccncc2)[C@@H]1c1ccccc1 ZINC000130633281 525624085 /nfs/dbraw/zinc/62/40/85/525624085.db2.gz DXROGWYIYOQUIK-YOEHRIQHSA-N 0 1 284.428 3.760 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1ccncc1 ZINC000037118469 525628114 /nfs/dbraw/zinc/62/81/14/525628114.db2.gz YFUROGJRZFWNCK-OAHLLOKOSA-N 0 1 270.376 3.786 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@@H]2CC(C)(C)C)c1 ZINC000338675021 525631197 /nfs/dbraw/zinc/63/11/97/525631197.db2.gz IDBFPSHOUQYPTN-CQSZACIVSA-N 0 1 299.418 3.912 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccccc1)c1ccc(Cl)cn1 ZINC000274911281 525667505 /nfs/dbraw/zinc/66/75/05/525667505.db2.gz NEDAQJARLCJFKN-MLGOLLRUSA-N 0 1 290.794 3.509 20 0 CHADMN C[C@@H](N[C@H]1CCCc2ccccc21)c1nccs1 ZINC000070984368 525681943 /nfs/dbraw/zinc/68/19/43/525681943.db2.gz HZOIXCTUSKGOAF-RISCZKNCSA-N 0 1 258.390 3.871 20 0 CHADMN C[C@H](O)CCCN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000354707397 525706951 /nfs/dbraw/zinc/70/69/51/525706951.db2.gz KKNNUUUESPQFFO-BLLLJJGKSA-N 0 1 283.362 3.653 20 0 CHADMN Cc1ccnc([C@@H](C)NCc2coc3ccccc23)c1 ZINC000340427252 525711525 /nfs/dbraw/zinc/71/15/25/525711525.db2.gz PJBNTYTZLVZCGU-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN Cc1c(CN[C@H](CCC(C)C)c2ccoc2)cnn1C ZINC000278943958 525727578 /nfs/dbraw/zinc/72/75/78/525727578.db2.gz MJRIEUYNVDENFI-MRXNPFEDSA-N 0 1 275.396 3.589 20 0 CHADMN Cc1ccncc1CCCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000366537151 525730717 /nfs/dbraw/zinc/73/07/17/525730717.db2.gz VPANLLGVMYBCTD-SFHVURJKSA-N 0 1 295.430 3.801 20 0 CHADMN Cc1ccc([C@@H](NC[C@H]2CCCCO2)c2ccccn2)cc1 ZINC000279960162 525776298 /nfs/dbraw/zinc/77/62/98/525776298.db2.gz HAPXXVWSYZWPFN-IEBWSBKVSA-N 0 1 296.414 3.638 20 0 CHADMN Cc1ccsc1CN(C)Cc1cnn(CC(C)C)c1 ZINC000340925705 525840003 /nfs/dbraw/zinc/84/00/03/525840003.db2.gz UWFBRNNBVBQZLD-UHFFFAOYSA-N 0 1 277.437 3.541 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)N(Cc3nc(C4CC4)no3)C2)cc1 ZINC000278390391 525846442 /nfs/dbraw/zinc/84/64/42/525846442.db2.gz DTHLHBMZFXGKDZ-CZUORRHYSA-N 0 1 297.402 3.633 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccccc2-n2ccnn2)o1 ZINC000285739851 525943566 /nfs/dbraw/zinc/94/35/66/525943566.db2.gz RCBXEVUUFCUTHH-KGLIPLIRSA-N 0 1 296.374 3.581 20 0 CHADMN CSc1ccc(-c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000339386875 525946940 /nfs/dbraw/zinc/94/69/40/525946940.db2.gz DFLWBHQQEKBRIG-LBPRGKRZSA-N 0 1 277.393 3.504 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCCC3CC3)n2)o1 ZINC000340662694 525957160 /nfs/dbraw/zinc/95/71/60/525957160.db2.gz XYYZOJAGAYIXOA-VOTSOKGWSA-N 0 1 275.377 3.769 20 0 CHADMN Cc1cnc(CN2CCC[C@@H]2CCC2CCCC2)nc1 ZINC000340690854 526018408 /nfs/dbraw/zinc/01/84/08/526018408.db2.gz IZLUNMLOLQRYIZ-MRXNPFEDSA-N 0 1 273.424 3.720 20 0 CHADMN Cc1cn[nH]c1CN(C)[C@@H](C)c1ccccc1Cl ZINC000290312006 526020481 /nfs/dbraw/zinc/02/04/81/526020481.db2.gz AQHRFSKWMYTEHV-NSHDSACASA-N 0 1 263.772 3.565 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cc(F)ccc2OC)c1 ZINC000037089714 526032801 /nfs/dbraw/zinc/03/28/01/526032801.db2.gz PSWOHZIHWRMHIY-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN Cc1cn[nH]c1CNc1ccc2oc(C(C)(C)C)nc2c1 ZINC000290082815 526037093 /nfs/dbraw/zinc/03/70/93/526037093.db2.gz ZCHBKSSEVHSXFS-UHFFFAOYSA-N 0 1 284.363 3.769 20 0 CHADMN COc1cccc(CN[C@H](C)c2cc(C)sc2C)n1 ZINC000070093428 526037202 /nfs/dbraw/zinc/03/72/02/526037202.db2.gz NIPPRNCWOQONDJ-LLVKDONJSA-N 0 1 276.405 3.619 20 0 CHADMN Cc1cn[nH]c1CNc1ccccc1O[C@H](C)C(F)(F)F ZINC000289697693 526037761 /nfs/dbraw/zinc/03/77/61/526037761.db2.gz DIMXJBMKSAEIAL-SNVBAGLBSA-N 0 1 299.296 3.660 20 0 CHADMN CSc1ccc(NC(=O)c2cn[nH]c2C(C)(C)C)cc1 ZINC000292864750 526037856 /nfs/dbraw/zinc/03/78/56/526037856.db2.gz UDBDCFPJPIGBBA-UHFFFAOYSA-N 0 1 289.404 3.681 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)N(Cc3ncnn3C(C)C)C2)cc1 ZINC000279718427 526040568 /nfs/dbraw/zinc/04/05/68/526040568.db2.gz LKEJMGWKHPIINV-RDJZCZTQSA-N 0 1 298.434 3.545 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N1CC[C@@H](n2cccn2)C1 ZINC000291159709 526045503 /nfs/dbraw/zinc/04/55/03/526045503.db2.gz CFYPVJURMTVUCN-SWLSCSKDSA-N 0 1 275.783 3.545 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC(c2cn[nH]c2)CC1 ZINC000364720245 526056762 /nfs/dbraw/zinc/05/67/62/526056762.db2.gz FLFIRAVAVFDXNO-NSHDSACASA-N 0 1 291.345 3.629 20 0 CHADMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cccs1 ZINC000093889042 526069564 /nfs/dbraw/zinc/06/95/64/526069564.db2.gz PHEJKRWSQRTORT-BLVKFPJESA-N 0 1 293.457 3.679 20 0 CHADMN C[C@H](c1cccc(Cl)c1)N(C)Cc1ccc(CO)o1 ZINC000130365308 526076798 /nfs/dbraw/zinc/07/67/98/526076798.db2.gz UERSCEHLZWETFR-LLVKDONJSA-N 0 1 279.767 3.618 20 0 CHADMN C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(Cl)nc1 ZINC000072630255 526077864 /nfs/dbraw/zinc/07/78/64/526077864.db2.gz HYPVFBWPUZOZFZ-NSHDSACASA-N 0 1 276.767 3.634 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@H](C)C(C)C)[nH]c2c1 ZINC000265052259 526108062 /nfs/dbraw/zinc/10/80/62/526108062.db2.gz QBMZKKODXXRZHX-CZUORRHYSA-N 0 1 299.418 3.827 20 0 CHADMN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@@H](C2CC2)C1 ZINC000289482129 526174092 /nfs/dbraw/zinc/17/40/92/526174092.db2.gz RWBCMUASRKUJMF-GXTWGEPZSA-N 0 1 297.402 3.518 20 0 CHADMN C[C@H](c1nc(CC2CCCC2)no1)N1[C@H](C)CC[C@@H]1C ZINC000340885133 526176058 /nfs/dbraw/zinc/17/60/58/526176058.db2.gz CARKKEOHPNJMNY-FRRDWIJNSA-N 0 1 277.412 3.736 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)N(C)CC(C)(C)C ZINC000339257952 526183712 /nfs/dbraw/zinc/18/37/12/526183712.db2.gz XNTRAOVVWJMJLR-JTQLQIEISA-N 0 1 279.409 3.837 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1n[nH]c(C(C)C)n1 ZINC000292836143 526186199 /nfs/dbraw/zinc/18/61/99/526186199.db2.gz MYAPNHSNLPTRQT-LLVKDONJSA-N 0 1 290.436 3.501 20 0 CHADMN Cc1nnc(CN2C[C@H](c3ccc(C)cc3)C[C@H]2C)s1 ZINC000278352854 526340569 /nfs/dbraw/zinc/34/05/69/526340569.db2.gz ACJUBNTYSFBJJU-IUODEOHRSA-N 0 1 287.432 3.533 20 0 CHADMN Fc1ccc([C@H](NCc2cc[nH]n2)C2CCCC2)cc1 ZINC000066990761 526365566 /nfs/dbraw/zinc/36/55/66/526365566.db2.gz GLLSNISDUWGHBW-MRXNPFEDSA-N 0 1 273.355 3.570 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@H](c3ccc(C)cc3C)C2)o1 ZINC000280380772 526396113 /nfs/dbraw/zinc/39/61/13/526396113.db2.gz JVZJWZLIZGAKHF-HIFRSBDPSA-N 0 1 285.391 3.545 20 0 CHADMN Cc1nnc([C@H](C)N(C)CC(C)(C)c2ccc(C)cc2)o1 ZINC000072759479 526402534 /nfs/dbraw/zinc/40/25/34/526402534.db2.gz JGPSOUCNDXYHJD-ZDUSSCGKSA-N 0 1 287.407 3.657 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2NC1(c2ccccc2)CC1 ZINC000278655737 526445706 /nfs/dbraw/zinc/44/57/06/526445706.db2.gz IJIGDKDZARMZMI-HNNXBMFYSA-N 0 1 253.345 3.936 20 0 CHADMN Cc1n[nH]c(C)c1CNCc1ccc(OC2CCCC2)cc1 ZINC000264356435 526494719 /nfs/dbraw/zinc/49/47/19/526494719.db2.gz GQRXUCYXJCBRMU-UHFFFAOYSA-N 0 1 299.418 3.638 20 0 CHADMN Cc1nc(CN(C)[C@H](C)c2ccc(Cl)cc2Cl)n[nH]1 ZINC000268274979 526524183 /nfs/dbraw/zinc/52/41/83/526524183.db2.gz IBXNETZECWWSEI-MRVPVSSYSA-N 0 1 299.205 3.613 20 0 CHADMN CC(C)(C)OC(=O)c1ccc(CNCc2ccoc2)cc1 ZINC000344646020 526528417 /nfs/dbraw/zinc/52/84/17/526528417.db2.gz UYEAIHTYYZDONM-UHFFFAOYSA-N 0 1 287.359 3.525 20 0 CHADMN c1cn2cc(CN3CCC4(CCCCC4)CC3)nc2s1 ZINC000339250940 526539749 /nfs/dbraw/zinc/53/97/49/526539749.db2.gz OHYGOBQYNBACHA-UHFFFAOYSA-N 0 1 289.448 3.942 20 0 CHADMN CC(C)(C)OCCCCN1CCOC[C@@H]1c1ccccc1 ZINC000354866648 526548952 /nfs/dbraw/zinc/54/89/52/526548952.db2.gz SNNAJZKMXBJPQJ-QGZVFWFLSA-N 0 1 291.435 3.655 20 0 CHADMN CC(C)(C)OCCCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000352214581 526549186 /nfs/dbraw/zinc/54/91/86/526549186.db2.gz ZZCASCOJKDNCJY-HNNXBMFYSA-N 0 1 279.428 3.532 20 0 CHADMN Cc1n[nH]cc1CN[C@H]1CCSc2cc(C)c(C)cc21 ZINC000275344367 526556269 /nfs/dbraw/zinc/55/62/69/526556269.db2.gz PKADSBRVPMDLQI-HNNXBMFYSA-N 0 1 287.432 3.662 20 0 CHADMN c1coc(CNCc2ccc(OC3CCCC3)cc2)c1 ZINC000032119488 526568205 /nfs/dbraw/zinc/56/82/05/526568205.db2.gz FZQBJWSSGVMZQH-UHFFFAOYSA-N 0 1 271.360 3.891 20 0 CHADMN c1ncn2ccc(-c3noc([C@H]4CC5CCC4CC5)n3)cc12 ZINC000340697520 526618497 /nfs/dbraw/zinc/61/84/97/526618497.db2.gz SCLDAQNUEIQUNI-QOZQQMKHSA-N 0 1 294.358 3.678 20 0 CHADMN c1snnc1CN1C[C@@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000275350785 526634914 /nfs/dbraw/zinc/63/49/14/526634914.db2.gz ZBMDJPWUGXCEGP-IXDOHACOSA-N 0 1 299.443 3.696 20 0 CHADMN Cc1nocc1CNCc1ccc(C2CCC2)cc1 ZINC000293273009 526692691 /nfs/dbraw/zinc/69/26/91/526692691.db2.gz NNLOZCWBFOZKSU-UHFFFAOYSA-N 0 1 256.349 3.540 20 0 CHADMN Cc1nc(C)c(CN[C@H](C)c2ccc(Cl)nc2)s1 ZINC000270528315 526725092 /nfs/dbraw/zinc/72/50/92/526725092.db2.gz UAZQEMNSZPNVEK-MRVPVSSYSA-N 0 1 281.812 3.659 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccccc3F)C2)sc1C ZINC000339374606 526870250 /nfs/dbraw/zinc/87/02/50/526870250.db2.gz HCMAMPNUHNEAPC-CYBMUJFWSA-N 0 1 290.407 3.889 20 0 CHADMN Cc1sccc1CNC1(c2ccc3c(c2)OCO3)CC1 ZINC000339306319 526913259 /nfs/dbraw/zinc/91/32/59/526913259.db2.gz SPFLJPFLSQQNRL-UHFFFAOYSA-N 0 1 287.384 3.564 20 0 CHADMN Cc1nc(F)ccc1CN(C)[C@@H](C)c1ccccc1 ZINC000278530826 526944957 /nfs/dbraw/zinc/94/49/57/526944957.db2.gz ZRGKAIDDTIMXAV-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN Clc1cccc(-c2noc(-c3ccc4cncn4c3)n2)c1 ZINC000340646375 526972607 /nfs/dbraw/zinc/97/26/07/526972607.db2.gz BTEPPMNYTSNAEZ-UHFFFAOYSA-N 0 1 296.717 3.705 20 0 CHADMN Clc1cnc(CNCCSc2ccccc2)s1 ZINC000225302271 526996062 /nfs/dbraw/zinc/99/60/62/526996062.db2.gz XVROHZBYRVNHRJ-UHFFFAOYSA-N 0 1 284.837 3.678 20 0 CHADMN Cc1nc2ccc(NC(=O)CC(C)(C)C3CC3)cc2[nH]1 ZINC000338667895 527141316 /nfs/dbraw/zinc/14/13/16/527141316.db2.gz DKZIHFVYPWWOCE-UHFFFAOYSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCCC23CCCCC3)[nH]1 ZINC000338550539 527149598 /nfs/dbraw/zinc/14/95/98/527149598.db2.gz DNLOMSPXRDCRDC-UHFFFAOYSA-N 0 1 297.402 3.810 20 0 CHADMN Cc1nc2cccc(C(=O)NCC(C)(C)CC(C)C)c2[nH]1 ZINC000338574091 527151457 /nfs/dbraw/zinc/15/14/57/527151457.db2.gz GLYJTPSVASIYLY-UHFFFAOYSA-N 0 1 287.407 3.673 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCCC[C@@H]2CC(C)C)[nH]1 ZINC000338573594 527152080 /nfs/dbraw/zinc/15/20/80/527152080.db2.gz JPIURGYRYVYVTF-CQSZACIVSA-N 0 1 299.418 3.912 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@H](C)CCCC(C)C)c2[nH]1 ZINC000338507130 527156013 /nfs/dbraw/zinc/15/60/13/527156013.db2.gz ZMGJACMHBSDXJO-GFCCVEGCSA-N 0 1 287.407 3.816 20 0 CHADMN O=C(Nc1ccc(C(F)(F)F)cc1)c1cn[nH]c1C1CC1 ZINC000082058409 527164861 /nfs/dbraw/zinc/16/48/61/527164861.db2.gz ZYUKYPJNGPUSFD-UHFFFAOYSA-N 0 1 295.264 3.558 20 0 CHADMN O=C(Nc1ccc(C2CCC2)cc1)c1cn[nH]c1C1CC1 ZINC000278972013 527166062 /nfs/dbraw/zinc/16/60/62/527166062.db2.gz CLVOVSLVZDRNAE-UHFFFAOYSA-N 0 1 281.359 3.807 20 0 CHADMN Cc1ncc(CNCc2cccc(OC(C)C)c2)s1 ZINC000040443742 527274349 /nfs/dbraw/zinc/27/43/49/527274349.db2.gz PYUFXNOTZPBGHO-UHFFFAOYSA-N 0 1 276.405 3.529 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2cnn(C(C)(C)C)c2C)s1 ZINC000276318247 527276330 /nfs/dbraw/zinc/27/63/30/527276330.db2.gz GNGAKJXAEXFRDC-JTQLQIEISA-N 0 1 292.452 3.562 20 0 CHADMN Cc1nccc(CNC2(c3ccc(Cl)cc3)CCC2)n1 ZINC000339220149 527336856 /nfs/dbraw/zinc/33/68/56/527336856.db2.gz WZXAZXOEPYPNFD-UHFFFAOYSA-N 0 1 287.794 3.607 20 0 CHADMN Cc1nccc(CN[C@H](CC(C)C)c2cccs2)n1 ZINC000339198597 527338676 /nfs/dbraw/zinc/33/86/76/527338676.db2.gz KWGOCGLQKKUSGQ-CQSZACIVSA-N 0 1 275.421 3.724 20 0 CHADMN Nc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000049071265 527465313 /nfs/dbraw/zinc/46/53/13/527465313.db2.gz OOIHJXFRMYMHGG-UHFFFAOYSA-N 0 1 277.249 3.831 20 0 CHADMN OCC[C@@H](NCc1ccc(C2CCC2)cc1)c1ccco1 ZINC000278882565 527561972 /nfs/dbraw/zinc/56/19/72/527561972.db2.gz PIXUQXZDROHRAW-QGZVFWFLSA-N 0 1 285.387 3.760 20 0 CHADMN OC[C@@H](NCc1ccccc1C(F)(F)F)c1ccccc1 ZINC000039793181 527584001 /nfs/dbraw/zinc/58/40/01/527584001.db2.gz ANJCIUFPPUCOJW-OAHLLOKOSA-N 0 1 295.304 3.529 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000226456296 527596900 /nfs/dbraw/zinc/59/69/00/527596900.db2.gz XWAPIHNMRVSJOV-WMLDXEAASA-N 0 1 287.403 3.641 20 0 CHADMN Cc1nn(C)c(Cl)c1CNC(C)(C)c1ccccc1C ZINC000293104959 527666523 /nfs/dbraw/zinc/66/65/23/527666523.db2.gz YAAJMPDQKKXJBM-UHFFFAOYSA-N 0 1 291.826 3.715 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1ccccc1Cl ZINC000087406891 527697297 /nfs/dbraw/zinc/69/72/97/527697297.db2.gz PQAHBJGUOXISJT-WDEREUQCSA-N 0 1 277.799 3.794 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000087407871 527697322 /nfs/dbraw/zinc/69/73/22/527697322.db2.gz QPUAYKOIULTNRV-PSASIEDQSA-N 0 1 283.828 3.855 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NCc1ccccc1C(F)(F)F ZINC000087409850 527699959 /nfs/dbraw/zinc/69/99/59/527699959.db2.gz BGSJMMZSMKCATC-JTQLQIEISA-N 0 1 297.324 3.598 20 0 CHADMN CC(C)(C)C[C@H]1CCCN1Cc1nccn1C(F)F ZINC000352868863 527703926 /nfs/dbraw/zinc/70/39/26/527703926.db2.gz UJQKLKQSGPFABH-LLVKDONJSA-N 0 1 271.355 3.679 20 0 CHADMN CC(C)CC[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccoc1 ZINC000353618917 527848950 /nfs/dbraw/zinc/84/89/50/527848950.db2.gz HCEYPXDCCGADLR-QWHCGFSZSA-N 0 1 293.329 3.660 20 0 CHADMN CC(C)CN(Cc1ccccc1)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343675662 527948172 /nfs/dbraw/zinc/94/81/72/527948172.db2.gz YLWCFXUOBNQGSZ-UHFFFAOYSA-N 0 1 297.402 3.586 20 0 CHADMN CC1=C(C(=O)Nc2cc(F)cc(Cl)c2O)CCC1 ZINC000353858465 528082088 /nfs/dbraw/zinc/08/20/88/528082088.db2.gz PEEKZDGJZVNCDJ-UHFFFAOYSA-N 0 1 269.703 3.624 20 0 CHADMN CCCN(CCc1ccccn1)c1ccnc(C)c1Cl ZINC000354143758 528111507 /nfs/dbraw/zinc/11/15/07/528111507.db2.gz PILAFEZYCGJKLV-UHFFFAOYSA-N 0 1 289.810 3.898 20 0 CHADMN CC1=C[C@@H](C)C[C@H](CN(C)Cc2cscn2)C1 ZINC000356082409 528134260 /nfs/dbraw/zinc/13/42/60/528134260.db2.gz HOWOBPRIDHSXGL-YPMHNXCESA-N 0 1 250.411 3.567 20 0 CHADMN CCCN(Cc1n[nH]cc1C)[C@@H]1CCc2ccccc21 ZINC000356095039 528152237 /nfs/dbraw/zinc/15/22/37/528152237.db2.gz WVYRNMSTUAXZEF-QGZVFWFLSA-N 0 1 269.392 3.618 20 0 CHADMN CCOC(=O)c1coc(CN[C@@H]2CCc3cc(C)ccc32)c1 ZINC000354177142 528327712 /nfs/dbraw/zinc/32/77/12/528327712.db2.gz ZQACAALMYAZPNF-QGZVFWFLSA-N 0 1 299.370 3.542 20 0 CHADMN CCN(CCC1CC1)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000355034335 528428499 /nfs/dbraw/zinc/42/84/99/528428499.db2.gz DAWGQJKTUIUGFF-GFCCVEGCSA-N 0 1 285.391 3.518 20 0 CHADMN CC(C)C[C@H](NCc1ccc2cc[nH]c2n1)c1ccccn1 ZINC000353630769 528572725 /nfs/dbraw/zinc/57/27/25/528572725.db2.gz NPGIDAYUOCDNAW-KRWDZBQOSA-N 0 1 294.402 3.835 20 0 CHADMN CCOCCCN1CC[C@H]1c1ccc(Cl)cc1 ZINC000352657612 528670920 /nfs/dbraw/zinc/67/09/20/528670920.db2.gz BBQPTWZTBOHPFP-AWEZNQCLSA-N 0 1 253.773 3.513 20 0 CHADMN CCN(Cc1ccnc(C)n1)[C@@H](C)c1ccc(F)cc1 ZINC000350479920 528856149 /nfs/dbraw/zinc/85/61/49/528856149.db2.gz PKUYTCSQPAZSLK-LBPRGKRZSA-N 0 1 273.355 3.507 20 0 CHADMN CC1(C)CCC(CN2CCOC[C@H]2CC(F)F)CC1 ZINC000353284227 528901719 /nfs/dbraw/zinc/90/17/19/528901719.db2.gz UKLZLKAQPPUUSQ-CYBMUJFWSA-N 0 1 275.383 3.559 20 0 CHADMN CCO[C@@H](C)c1nc(CN(C)[C@H](C)C(C)C)cs1 ZINC000347052129 529102576 /nfs/dbraw/zinc/10/25/76/529102576.db2.gz OHEPHNFECINCCY-NEPJUHHUSA-N 0 1 270.442 3.717 20 0 CHADMN CC[C@@H](N[C@@H](c1nccn1C)C1CC1)c1ccc(F)cc1 ZINC000353864018 529202641 /nfs/dbraw/zinc/20/26/41/529202641.db2.gz HYJJQOOJNQGFJS-HZPDHXFCSA-N 0 1 287.382 3.751 20 0 CHADMN CCSc1cccc(CN(C)Cc2ccc[nH]2)c1 ZINC000351988241 529249738 /nfs/dbraw/zinc/24/97/38/529249738.db2.gz FDALUGJSIVLEPG-UHFFFAOYSA-N 0 1 260.406 3.759 20 0 CHADMN CCSc1cccc(CN2CCSC[C@@H]2C)c1 ZINC000351996197 529250195 /nfs/dbraw/zinc/25/01/95/529250195.db2.gz NETMVINTAIWLRN-LBPRGKRZSA-N 0 1 267.463 3.736 20 0 CHADMN CC[C@@H](c1ccccc1)N(CC)Cc1n[nH]c(C2CC2)n1 ZINC000347404459 529257243 /nfs/dbraw/zinc/25/72/43/529257243.db2.gz WRTKCPQAGQDANA-HNNXBMFYSA-N 0 1 284.407 3.655 20 0 CHADMN CCc1noc(C)c1CN1CCC(CC(F)(F)F)CC1 ZINC000341989484 535876844 /nfs/dbraw/zinc/87/68/44/535876844.db2.gz KOMVSSPQISIIKL-UHFFFAOYSA-N 0 1 290.329 3.710 20 0 CHADMN C[C@H](c1cccs1)[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC000110956064 601807679 /nfs/dbraw/zinc/80/76/79/601807679.db2.gz OSIGFNQYISCWTR-SECBINFHSA-N 0 1 281.402 3.701 20 0 CHADMN Cc1ccccc1[C@H]1CC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000652406877 599716548 /nfs/dbraw/zinc/71/65/48/599716548.db2.gz GIURSRMCWWKJHV-KGLIPLIRSA-N 0 1 299.370 3.837 20 0 CHADMN Cc1cc(C)cc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000037918915 599778989 /nfs/dbraw/zinc/77/89/89/599778989.db2.gz AKZWSKXYVDLAHI-UHFFFAOYSA-N 0 1 283.371 3.634 20 0 CHADMN CCCC[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000211625501 599810251 /nfs/dbraw/zinc/81/02/51/599810251.db2.gz ZTEXBONZCHVVOX-GFCCVEGCSA-N 0 1 290.190 3.851 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])o1)C1CCCCC1 ZINC000736471632 599810270 /nfs/dbraw/zinc/81/02/70/599810270.db2.gz JDWQFTFUTVQDPB-UHFFFAOYSA-N 0 1 265.353 3.521 20 0 CHADMN C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000736716033 599847064 /nfs/dbraw/zinc/84/70/64/599847064.db2.gz XMTIAWMOOTYOHL-NSHDSACASA-N 0 1 299.326 3.917 20 0 CHADMN Cc1ccc(C[N@H+](Cc2cc(C(=O)[O-])co2)C(C)C)s1 ZINC000652401503 599848805 /nfs/dbraw/zinc/84/88/05/599848805.db2.gz JYDUIBOSRZLEET-UHFFFAOYSA-N 0 1 293.388 3.758 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000394933344 599997861 /nfs/dbraw/zinc/99/78/61/599997861.db2.gz XBTOHFZMPSVONH-ZDUSSCGKSA-N 0 1 269.344 3.578 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(F)cc2C(=O)[O-])Cc2ccccc21 ZINC000736815260 600082802 /nfs/dbraw/zinc/08/28/02/600082802.db2.gz QKEJUDWKEJYDAW-LBPRGKRZSA-N 0 1 299.345 3.643 20 0 CHADMN O=C([O-])c1cc(F)ccc1C[N@@H+](C1CC1)C1CCCCC1 ZINC000652401214 600083557 /nfs/dbraw/zinc/08/35/57/600083557.db2.gz RSHCWXXZJKHRLL-UHFFFAOYSA-N 0 1 291.366 3.821 20 0 CHADMN O=C([O-])c1occc1C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000514791244 600144191 /nfs/dbraw/zinc/14/41/91/600144191.db2.gz KCJNHWYLBDCIGY-HNNXBMFYSA-N 0 1 299.370 3.748 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])co2)CC1 ZINC000079349652 600216278 /nfs/dbraw/zinc/21/62/78/600216278.db2.gz LCMGMSNDIAJRNG-CYBMUJFWSA-N 0 1 279.380 3.626 20 0 CHADMN CCCC[N@@H+](CCCC(=O)[O-])[C@@H](C)c1ccc(C)o1 ZINC000734849626 600227650 /nfs/dbraw/zinc/22/76/50/600227650.db2.gz JHNGFJFHPJUAOR-ZDUSSCGKSA-N 0 1 267.369 3.616 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000252540261 600318751 /nfs/dbraw/zinc/31/87/51/600318751.db2.gz CJROSMOFTAITAT-NEPJUHHUSA-N 0 1 265.353 3.551 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000079417723 600318759 /nfs/dbraw/zinc/31/87/59/600318759.db2.gz CKNYBTYHKUKCKH-LBPRGKRZSA-N 0 1 279.355 3.536 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000519545051 600404622 /nfs/dbraw/zinc/40/46/22/600404622.db2.gz KFBGLQWJVOOHGJ-YOEHRIQHSA-N 0 1 283.371 3.548 20 0 CHADMN CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])oc1C ZINC000736879698 600432486 /nfs/dbraw/zinc/43/24/86/600432486.db2.gz GPEPJAFRFFODFG-SMDDNHRTSA-N 0 1 279.380 3.687 20 0 CHADMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccc2oc3ccccc3c2c1 ZINC000739587709 600438789 /nfs/dbraw/zinc/43/87/89/600438789.db2.gz OWEUOMFTQSWZDS-HNNXBMFYSA-N 0 1 295.338 3.635 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)cc1C(=O)[O-] ZINC000519603311 600449151 /nfs/dbraw/zinc/44/91/51/600449151.db2.gz JWWZAZWQRJFZAE-QGZVFWFLSA-N 0 1 289.375 3.609 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000128038732 600574169 /nfs/dbraw/zinc/57/41/69/600574169.db2.gz YEKSAJVYCXKSGA-OAHLLOKOSA-N 0 1 261.365 3.539 20 0 CHADMN C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000580336158 600643325 /nfs/dbraw/zinc/64/33/25/600643325.db2.gz APNVVQAORMLRGI-GOSISDBHSA-N 0 1 299.370 3.532 20 0 CHADMN CC(C)C[C@@H]1CCCCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000584535210 600718348 /nfs/dbraw/zinc/71/83/48/600718348.db2.gz WJUUYPYZNBUQFK-AWEZNQCLSA-N 0 1 279.380 3.769 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])o2)c1C ZINC000738698631 600966776 /nfs/dbraw/zinc/96/67/76/600966776.db2.gz PZKZFUYGDDTMIT-INIZCTEOSA-N 0 1 299.370 3.932 20 0 CHADMN C[C@@H]1c2ccccc2C[N@H+]1[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000828527801 601117204 /nfs/dbraw/zinc/11/72/04/601117204.db2.gz PCWVAQHQAUEWFP-BZNIZROVSA-N 0 1 285.318 3.528 20 0 CHADMN CC[N@@H+](C/C=C(/C)C(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000829692781 601159003 /nfs/dbraw/zinc/15/90/03/601159003.db2.gz PGXYHDJJNHANJO-KIWPFMIBSA-N 0 1 287.359 3.847 20 0 CHADMN C/C(=C\C[N@H+]1CCCC[C@@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000825741152 601172118 /nfs/dbraw/zinc/17/21/18/601172118.db2.gz IXWYBOXVNFBWME-HFQYIWAZSA-N 0 1 273.376 3.553 20 0 CHADMN CC1(C)C[N@H+](Cc2cc(C(=O)[O-])co2)[C@@H]1c1ccccc1 ZINC000828075009 601182965 /nfs/dbraw/zinc/18/29/65/601182965.db2.gz YXNXWHIIQLRVKS-OAHLLOKOSA-N 0 1 285.343 3.561 20 0 CHADMN CC1(C)C[N@@H+](Cc2cc(C(=O)[O-])co2)[C@@H]1c1ccccc1 ZINC000828075009 601182967 /nfs/dbraw/zinc/18/29/67/601182967.db2.gz YXNXWHIIQLRVKS-OAHLLOKOSA-N 0 1 285.343 3.561 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)CCCC(=O)[O-] ZINC000175430914 601307883 /nfs/dbraw/zinc/30/78/83/601307883.db2.gz XZXHLNAIWAEODT-NWDGAFQWSA-N 0 1 283.799 3.629 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000832932155 601457706 /nfs/dbraw/zinc/45/77/06/601457706.db2.gz LVVRWPMQBMTTAU-QGZVFWFLSA-N 0 1 283.371 3.561 20 0 CHADMN CC(C)[C@@H](C)[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000826681203 601618861 /nfs/dbraw/zinc/61/88/61/601618861.db2.gz MYADZBIAXPTGDI-LLVKDONJSA-N 0 1 279.355 3.533 20 0 CHADMN CC(C)[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)[O-])c1 ZINC000011860725 601634133 /nfs/dbraw/zinc/63/41/33/601634133.db2.gz ZNCBVEZEHIMGBD-UHFFFAOYSA-N 0 1 283.371 3.795 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)[C@H]1c1ccccc1 ZINC000828455491 601647702 /nfs/dbraw/zinc/64/77/02/601647702.db2.gz DCTWZYADOHDEBM-YVEFUNNKSA-N 0 1 299.345 3.717 20 0 CHADMN C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC000582067687 601805837 /nfs/dbraw/zinc/80/58/37/601805837.db2.gz DWEAMFMWRUSUEM-JTQLQIEISA-N 0 1 293.363 3.778 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccsc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000828463012 601836761 /nfs/dbraw/zinc/83/67/61/601836761.db2.gz OEJQSFIGKAJMQM-BXUZGUMPSA-N 0 1 287.384 3.639 20 0 CHADMN C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC000109602276 601942017 /nfs/dbraw/zinc/94/20/17/601942017.db2.gz AEQKJULKXJMXBH-SNVBAGLBSA-N 0 1 293.363 3.778 20 0 CHADMN C/C(=C\c1ccccc1)C[N@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000833385524 604525676 /nfs/dbraw/zinc/52/56/76/604525676.db2.gz HBMHHFHCRWXVMQ-UKTHLTGXSA-N 0 1 299.370 3.822 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cccc(Cl)c1Cl ZINC000086748202 604642937 /nfs/dbraw/zinc/64/29/37/604642937.db2.gz JCKPADHUYUGSTN-UHFFFAOYSA-N 0 1 290.190 3.679 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000829346511 604677614 /nfs/dbraw/zinc/67/76/14/604677614.db2.gz AESKVIOQTQFNCP-GFCCVEGCSA-N 0 1 265.353 3.523 20 0 CHADMN C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC000062753766 604749883 /nfs/dbraw/zinc/74/98/83/604749883.db2.gz JUCRFLBJHQWTBR-JTQLQIEISA-N 0 1 293.363 3.778 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000833630670 604761982 /nfs/dbraw/zinc/76/19/82/604761982.db2.gz WIJITLQWUMJSBE-YVEFUNNKSA-N 0 1 299.345 3.717 20 0 CHADMN C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000223493663 604932701 /nfs/dbraw/zinc/93/27/01/604932701.db2.gz GWXWYGLGNHZZDA-GXTWGEPZSA-N 0 1 293.382 3.710 20 0 CHADMN C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000223499906 604934015 /nfs/dbraw/zinc/93/40/15/604934015.db2.gz LCFATOGMFNFOFP-GXTWGEPZSA-N 0 1 293.382 3.710 20 0 CHADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000135032968 604951743 /nfs/dbraw/zinc/95/17/43/604951743.db2.gz ZZVVDRFONZGZME-VGZDNEPHSA-N 0 1 287.403 3.523 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000382527128 605051358 /nfs/dbraw/zinc/05/13/58/605051358.db2.gz HKSQEEXFDGDIKW-LLVKDONJSA-N 0 1 277.364 3.717 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)[C@@H]2CCCC[C@H]21 ZINC000833629018 605223127 /nfs/dbraw/zinc/22/31/27/605223127.db2.gz DESUAHHIXMFTBY-PVXIVEMSSA-N 0 1 291.366 3.534 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000132293522 949307297 /nfs/dbraw/zinc/30/72/97/949307297.db2.gz GEQRKVHJXKJECJ-MRXNPFEDSA-N 0 1 297.345 3.701 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000161390056 949383692 /nfs/dbraw/zinc/38/36/92/949383692.db2.gz UMIBUARZPNVJON-OAHLLOKOSA-N 0 1 299.773 3.556 20 0 CHADMN CN(Cc1cc(F)cc(F)c1F)CC1CCCC1 ZINC001137873374 1131427035 /nfs/dbraw/zinc/42/70/35/1131427035.db2.gz BQPMCIKZCPBNCO-UHFFFAOYSA-N 0 1 257.299 3.726 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCC1CCCCCC1 ZINC000263522079 950502273 /nfs/dbraw/zinc/50/22/73/950502273.db2.gz RKBNLBMYDLTLQA-HIFRSBDPSA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CCc1ccc(Cl)cc1 ZINC000308438212 950638511 /nfs/dbraw/zinc/63/85/11/950638511.db2.gz SSXRFDNSYSXQLY-OAHLLOKOSA-N 0 1 295.810 3.602 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000380175798 971683053 /nfs/dbraw/zinc/68/30/53/971683053.db2.gz BZCFJAQHFDVQOR-NILFDRSVSA-N 0 1 295.810 3.834 20 0 CHADMN C[C@@H](c1cccc(F)c1)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000316160156 950870403 /nfs/dbraw/zinc/87/04/03/950870403.db2.gz WKIOZQKJMKOBAC-YVEFUNNKSA-N 0 1 299.345 3.571 20 0 CHADMN C[C@@H](C[N@H+]1CCCC[C@@H]1CC(=O)[O-])C1CCCCC1 ZINC000381968028 951216914 /nfs/dbraw/zinc/21/69/14/951216914.db2.gz GHEZEQFAEKMSJH-DZGCQCFKSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)CCc2ccccc21 ZINC000404716623 953380674 /nfs/dbraw/zinc/38/06/74/953380674.db2.gz QRFJCSDFBFLZGP-AWEZNQCLSA-N 0 1 295.382 3.547 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccc(Cl)c2ccccc12)C(=O)[O-] ZINC000566357692 953625321 /nfs/dbraw/zinc/62/53/21/953625321.db2.gz ILFGRFWKBKVHAL-NSHDSACASA-N 0 1 291.778 3.646 20 0 CHADMN C[N@@H+](CCC(=O)[O-])CC1CCC2(CCCCC2)CC1 ZINC001593737049 954345519 /nfs/dbraw/zinc/34/55/19/954345519.db2.gz QZWNCOPCFQKORY-UHFFFAOYSA-N 0 1 267.413 3.534 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2)[C@@H]1C(=O)[O-] ZINC000662213432 954384336 /nfs/dbraw/zinc/38/43/36/954384336.db2.gz XKEKQCOJQPJCKJ-CJNGLKHVSA-N 0 1 289.419 3.669 20 0 CHADMN C[C@H](C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1cc(F)cc(F)c1 ZINC000665350923 954543391 /nfs/dbraw/zinc/54/33/91/954543391.db2.gz JNMJNAICHQRWIQ-LLVKDONJSA-N 0 1 299.361 3.501 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)c(C)c1Cl ZINC001589444395 954741616 /nfs/dbraw/zinc/74/16/16/954741616.db2.gz XHEYGYOSRSHSOH-LLVKDONJSA-N 0 1 290.190 3.597 20 0 CHADMN CC[C@@H](C)[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccccc1 ZINC000387169135 972108654 /nfs/dbraw/zinc/10/86/54/972108654.db2.gz ATKGGGWYKGRCKM-CYBMUJFWSA-N 0 1 287.359 3.779 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@H+]2CCC[C@H]2C(=O)[O-])c1 ZINC000872156614 956054249 /nfs/dbraw/zinc/05/42/49/956054249.db2.gz BEGCFBBHANYTKK-KRWDZBQOSA-N 0 1 283.371 3.506 20 0 CHADMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(C3CC3)c(C3CC3)c2)C1 ZINC001589199115 956627670 /nfs/dbraw/zinc/62/76/70/956627670.db2.gz RRBPGAWUFJVEDK-IBGZPJMESA-N 0 1 299.414 3.738 20 0 CHADMN CCc1ccc2ccccc2c1C[N@H+](CC)[C@H](C)C(=O)[O-] ZINC000903407927 956831736 /nfs/dbraw/zinc/83/17/36/956831736.db2.gz BFFLXONQSFFIMI-CYBMUJFWSA-N 0 1 285.387 3.697 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+](Cc1ccccc1)C(C)C ZINC000011863306 956895899 /nfs/dbraw/zinc/89/58/99/956895899.db2.gz CUQTYPBRZIRRDY-UHFFFAOYSA-N 0 1 287.359 3.697 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC001589257161 957011062 /nfs/dbraw/zinc/01/10/62/957011062.db2.gz YJSBRRNDDCGVGJ-XHSDSOJGSA-N 0 1 279.424 3.698 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000043594302 957438714 /nfs/dbraw/zinc/43/87/14/957438714.db2.gz IGKWLSSJHXTJTN-RHSMWYFYSA-N 0 1 289.419 3.887 20 0 CHADMN CCCCCC[C@@H](C)Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000049225983 957475957 /nfs/dbraw/zinc/47/59/57/957475957.db2.gz LPYLAZBLRCOMLT-LLVKDONJSA-N 0 1 250.342 3.551 20 0 CHADMN Cc1oc(C[N@H+](C)[C@@H](C)c2cccs2)cc1C(=O)[O-] ZINC000049727610 957480762 /nfs/dbraw/zinc/48/07/62/957480762.db2.gz BTXRQAOGUJEZFC-VIFPVBQESA-N 0 1 279.361 3.541 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000062015127 957596935 /nfs/dbraw/zinc/59/69/35/957596935.db2.gz FTHNYJFYVWZOSQ-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@H](C(C)(C)C)CC2)cc1C(=O)[O-] ZINC000079349503 957755572 /nfs/dbraw/zinc/75/55/72/957755572.db2.gz HWSVFATVVAWYJD-ZDUSSCGKSA-N 0 1 293.407 3.934 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086782610 957987825 /nfs/dbraw/zinc/98/78/25/957987825.db2.gz ZHLOONRCAKBZJS-IAQYHMDHSA-N 0 1 281.783 3.588 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000094529198 958290152 /nfs/dbraw/zinc/29/01/52/958290152.db2.gz CNKMAQJZQSUQBR-AWEZNQCLSA-N 0 1 287.403 3.641 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1OC ZINC000125890745 958571431 /nfs/dbraw/zinc/57/14/31/958571431.db2.gz HZJWINWICRTQLB-OAHLLOKOSA-N 0 1 291.391 3.548 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135044408 958882354 /nfs/dbraw/zinc/88/23/54/958882354.db2.gz JXOQCKABDACCRK-HOTGVXAUSA-N 0 1 289.419 3.961 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(F)c(F)c2F)CC1 ZINC001137935816 1131438909 /nfs/dbraw/zinc/43/89/09/1131438909.db2.gz KYWCVDOZEBWDOA-SNVBAGLBSA-N 0 1 257.299 3.726 20 0 CHADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1CC[C@H]1CCC[C@H](C)C1 ZINC001573716129 959870487 /nfs/dbraw/zinc/87/04/87/959870487.db2.gz OKKJIXNKQZRSOP-GBJTYRQASA-N 0 1 267.413 3.530 20 0 CHADMN COc1cccc([C@@H](C)N[C@@H](C)c2cncs2)c1 ZINC000129210895 1125472456 /nfs/dbraw/zinc/47/24/56/1125472456.db2.gz RXZITUIACRSQSK-MNOVXSKESA-N 0 1 262.378 3.564 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1cccc2ccccc21 ZINC001140946948 960506932 /nfs/dbraw/zinc/50/69/32/960506932.db2.gz OCUSZQDXDJMXHG-UHFFFAOYSA-N 0 1 295.338 3.763 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccc(Cl)cc1 ZINC001140947238 960507497 /nfs/dbraw/zinc/50/74/97/960507497.db2.gz BYJSSGROKDPWOS-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC001204151581 960603219 /nfs/dbraw/zinc/60/32/19/960603219.db2.gz VVCSLORHEIQCMR-QGZVFWFLSA-N 0 1 299.345 3.861 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCCCc1cccc(Cl)c1 ZINC001574274341 960620431 /nfs/dbraw/zinc/62/04/31/960620431.db2.gz OZPDPFYVDVSVPX-IUODEOHRSA-N 0 1 295.810 3.600 20 0 CHADMN C[C@H](CN1CCCC(F)(F)[C@@H](F)C1)c1ccccc1 ZINC001207903280 1117758609 /nfs/dbraw/zinc/75/86/09/1117758609.db2.gz FVWFYNBGMMDAJD-OCCSQVGLSA-N 0 1 271.326 3.859 20 0 CHADMN CC[C@]1(C)CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001329675242 961296983 /nfs/dbraw/zinc/29/69/83/961296983.db2.gz FPQDEGJKFRKIPM-GOEBONIOSA-N 0 1 295.810 3.978 20 0 CHADMN CN(CCC(F)(F)F)Cc1ccc2c(c1)CCCC2 ZINC000430235989 1117904905 /nfs/dbraw/zinc/90/49/05/1117904905.db2.gz GCJDJADZHAOCHG-UHFFFAOYSA-N 0 1 271.326 3.950 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc(-n3cccn3)c2)o1 ZINC000130116939 1125480262 /nfs/dbraw/zinc/48/02/62/1125480262.db2.gz YOTQGYOAQVSGJV-AWEZNQCLSA-N 0 1 281.359 3.625 20 0 CHADMN CC1CCC(O)(CN2CCCC[C@@H]2c2nccs2)CC1 ZINC000130318934 1125480592 /nfs/dbraw/zinc/48/05/92/1125480592.db2.gz BXLPGNSJNNBTQW-NPCAHTBFSA-N 0 1 294.464 3.611 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccc(Cl)cc3)C2)oc1C ZINC000111306203 1125482330 /nfs/dbraw/zinc/48/23/30/1125482330.db2.gz JGVLTLCOKGBDCR-AWEZNQCLSA-N 0 1 290.794 3.934 20 0 CHADMN Cc1nc(=O)c2sc(-c3ccccc3Cl)cc2[nH]1 ZINC000048606645 1125484703 /nfs/dbraw/zinc/48/47/03/1125484703.db2.gz UKEUDWAUHPLGFQ-UHFFFAOYSA-N 0 1 276.748 3.613 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C1 ZINC001549896775 962970681 /nfs/dbraw/zinc/97/06/81/962970681.db2.gz DOHPPWAVBNNHPT-ANQUJSFKSA-N 0 1 279.424 3.532 20 0 CHADMN C[N@H+](Cc1sccc1Cl)Cc1ccc(C(=O)[O-])cc1 ZINC000302617158 963097223 /nfs/dbraw/zinc/09/72/23/963097223.db2.gz OXKQTLHRXITTNK-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN C[N@@H+](Cc1sccc1Cl)Cc1ccc(C(=O)[O-])cc1 ZINC000302617158 963097239 /nfs/dbraw/zinc/09/72/39/963097239.db2.gz OXKQTLHRXITTNK-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN CC(C)C(C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1)C(C)C ZINC000313991430 963697301 /nfs/dbraw/zinc/69/73/01/963697301.db2.gz RPGFTRGQXJCWNW-KRWDZBQOSA-N 0 1 289.419 3.599 20 0 CHADMN C[C@@H](C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1)C1CCCCC1 ZINC000314381487 963746571 /nfs/dbraw/zinc/74/65/71/963746571.db2.gz UAJNTCJBLGSUGG-ZDUSSCGKSA-N 0 1 287.403 3.917 20 0 CHADMN CO[C@H]1CCN(Cc2c(C)cc(F)cc2Cl)[C@H](C)C1 ZINC001238787635 1118083296 /nfs/dbraw/zinc/08/32/96/1118083296.db2.gz MVPXFJSWAFGCPB-YPMHNXCESA-N 0 1 285.790 3.787 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+]1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000086784385 967574055 /nfs/dbraw/zinc/57/40/55/967574055.db2.gz TVULKWUVWLORKY-NVXWUHKLSA-N 0 1 275.392 3.715 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+]1CCC[C@](CC)(C(=O)[O-])C1 ZINC000227833026 967708713 /nfs/dbraw/zinc/70/87/13/967708713.db2.gz TVULKWUVWLORKY-WBVHZDCISA-N 0 1 275.392 3.715 20 0 CHADMN Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c(C)c1 ZINC000314014092 967964568 /nfs/dbraw/zinc/96/45/68/967964568.db2.gz VTNMQKWBFWENQK-HRCADAONSA-N 0 1 289.419 3.715 20 0 CHADMN Cc1cc(C)c([C@H](C)[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000398867989 968282643 /nfs/dbraw/zinc/28/26/43/968282643.db2.gz CNEPTCRJGHBUNI-UHOFOFEASA-N 0 1 289.419 3.715 20 0 CHADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1C[C@@H]1CCCCC1(C)C ZINC001605004356 972605803 /nfs/dbraw/zinc/60/58/03/972605803.db2.gz QLWSQZOUGODCIR-HZSPNIEDSA-N 0 1 267.413 3.530 20 0 CHADMN O=C([O-])C[C@@H]1CCCC[N@H+]1CCC1CCCCCC1 ZINC000394539419 972719632 /nfs/dbraw/zinc/71/96/32/972719632.db2.gz RVCAMTVVXZGGNR-HNNXBMFYSA-N 0 1 267.413 3.676 20 0 CHADMN CC[C@H]1CCC[C@@H](C[N@@H+](CC(=O)[O-])C2CCCC2)C1 ZINC000394610459 972723119 /nfs/dbraw/zinc/72/31/19/972723119.db2.gz IWYXZBFMKIYKLV-UONOGXRCSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1cccc([C@@H]([NH2+]Cc2cc3ccccc3o2)C(=O)[O-])c1 ZINC001605329290 973196740 /nfs/dbraw/zinc/19/67/40/973196740.db2.gz IQDWQCUJDZUUQZ-QGZVFWFLSA-N 0 1 295.338 3.657 20 0 CHADMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC000399484693 973221855 /nfs/dbraw/zinc/22/18/55/973221855.db2.gz BSDXXKHFLMTTJJ-ZYHUDNBSSA-N 0 1 281.783 3.659 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1[C@H](C(=O)[O-])c1ccccc1 ZINC000516479651 974306915 /nfs/dbraw/zinc/30/69/15/974306915.db2.gz RJOGRDOGOPDHMK-OLMNPRSZSA-N 0 1 295.382 3.690 20 0 CHADMN O=C([O-])C1(C[N@@H+](Cc2ccccc2)C2CCCCC2)CC1 ZINC000519605052 974330255 /nfs/dbraw/zinc/33/02/55/974330255.db2.gz LARMYMLLXUASHD-UHFFFAOYSA-N 0 1 287.403 3.686 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]([C@H](C)[C@H](C)CC)C1CC1 ZINC000522007785 974348722 /nfs/dbraw/zinc/34/87/22/974348722.db2.gz KTXQARHNZSDPGD-VXGBXAGGSA-N 0 1 293.407 3.939 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000530173926 974362589 /nfs/dbraw/zinc/36/25/89/974362589.db2.gz SCVIPJIEECFCSH-WMLDXEAASA-N 0 1 289.419 3.961 20 0 CHADMN CCC[C@]1(C)CCC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000565105635 974571597 /nfs/dbraw/zinc/57/15/97/974571597.db2.gz ULXSMIHVZRKKPB-MLGOLLRUSA-N 0 1 279.380 3.941 20 0 CHADMN CCC(C)(C)c1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)cc1 ZINC000565838820 974589879 /nfs/dbraw/zinc/58/98/79/974589879.db2.gz RWQCABFVHCASLN-CZUORRHYSA-N 0 1 289.419 3.669 20 0 CHADMN Cc1ccc(C[N@H+](CCC(=O)[O-])CC(C)C)c(Cl)c1 ZINC000566361789 974609430 /nfs/dbraw/zinc/60/94/30/974609430.db2.gz NJSORDPWQPYORV-UHFFFAOYSA-N 0 1 283.799 3.581 20 0 CHADMN CC(C)C[N@@H+](Cc1cc(C(=O)[O-])ccc1Cl)C(C)C ZINC000568060252 974655848 /nfs/dbraw/zinc/65/58/48/974655848.db2.gz YACFVYXLGGPTST-UHFFFAOYSA-N 0 1 283.799 3.905 20 0 CHADMN O=C([O-])[C@H](c1ccsc1)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000568061543 974656803 /nfs/dbraw/zinc/65/68/03/974656803.db2.gz JLFLTYCJYLAGJG-GOEBONIOSA-N 0 1 291.416 3.696 20 0 CHADMN O=C([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000568060986 974657120 /nfs/dbraw/zinc/65/71/20/974657120.db2.gz VVIHYSFCERGYNE-ABAIWWIYSA-N 0 1 293.794 3.803 20 0 CHADMN Cc1ccc([C@H]2CCCCC[N@H+]2CC2(CC(=O)[O-])CC2)o1 ZINC000571810235 974737050 /nfs/dbraw/zinc/73/70/50/974737050.db2.gz JMAZSNPEXVQSBE-CQSZACIVSA-N 0 1 291.391 3.760 20 0 CHADMN O=C([O-])[C@@H](c1ccsc1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000571811967 974737277 /nfs/dbraw/zinc/73/72/77/974737277.db2.gz VJTALIAXVNIWCY-QWHCGFSZSA-N 0 1 293.413 3.772 20 0 CHADMN O=C([O-])[C@@H](c1ccsc1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000571811967 974737280 /nfs/dbraw/zinc/73/72/80/974737280.db2.gz VJTALIAXVNIWCY-QWHCGFSZSA-N 0 1 293.413 3.772 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000573498728 974766027 /nfs/dbraw/zinc/76/60/27/974766027.db2.gz BDURYUKWQXGWQN-DJIMGWMZSA-N 0 1 289.419 3.755 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000580084823 974888688 /nfs/dbraw/zinc/88/86/88/974888688.db2.gz ARVVXQALBZEGBP-UONOGXRCSA-N 0 1 269.429 3.634 20 0 CHADMN Cc1ccc(C)c([C@H](C)[N@@H+](C)Cc2occc2C(=O)[O-])c1 ZINC000582365977 974925133 /nfs/dbraw/zinc/92/51/33/974925133.db2.gz UNMSDJTXVITJKV-ZDUSSCGKSA-N 0 1 287.359 3.788 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000583940023 974948145 /nfs/dbraw/zinc/94/81/45/974948145.db2.gz NMUKLQZWPLYKLG-ZDUSSCGKSA-N 0 1 299.370 3.702 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)C[C@H](C)C1CCCCC1 ZINC000629371896 975087782 /nfs/dbraw/zinc/08/77/82/975087782.db2.gz QXXHUAWYXHPCSP-DZGCQCFKSA-N 0 1 269.429 3.778 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2C)C1 ZINC000629376225 975090275 /nfs/dbraw/zinc/09/02/75/975090275.db2.gz SASSSUMQODDKNW-MXTKCAFNSA-N 0 1 287.403 3.799 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])sc2C)C1 ZINC000629375909 975090570 /nfs/dbraw/zinc/09/05/70/975090570.db2.gz PEIKMSCXYMCVNN-ITDFMYJTSA-N 0 1 293.432 3.933 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1Cl ZINC000652389573 975518210 /nfs/dbraw/zinc/51/82/10/975518210.db2.gz MYONOPKUERKWOF-AWEZNQCLSA-N 0 1 281.783 3.659 20 0 CHADMN O=C([O-])c1sccc1C[N@@H+](CC1CC1)C1CCCCC1 ZINC000652408623 975524402 /nfs/dbraw/zinc/52/44/02/975524402.db2.gz HHADXZMEPAGKTL-UHFFFAOYSA-N 0 1 293.432 3.991 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000652451504 975538814 /nfs/dbraw/zinc/53/88/14/975538814.db2.gz YYZSYHWOZLUVEF-RRFJBIMHSA-N 0 1 281.440 3.778 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCc2ccc(C(C)C)cc2C1 ZINC000656759047 975685594 /nfs/dbraw/zinc/68/55/94/975685594.db2.gz UWSKETLWJSLTAQ-QGZVFWFLSA-N 0 1 289.419 3.812 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CC[C@H](C3CCCCC3)C2)cs1 ZINC000656761634 975688348 /nfs/dbraw/zinc/68/83/48/975688348.db2.gz SVTUQGPCGQOMHS-AWEZNQCLSA-N 0 1 293.432 3.849 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000656763701 975692229 /nfs/dbraw/zinc/69/22/29/975692229.db2.gz QTKJKADRKIRIQI-UHFFFAOYSA-N 0 1 275.392 3.787 20 0 CHADMN CCC(C)(C)CC[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000656766070 975698976 /nfs/dbraw/zinc/69/89/76/975698976.db2.gz PXGFVUWILCMPHE-QLFBSQMISA-N 0 1 281.440 3.778 20 0 CHADMN CC[C@H](CC(F)F)C[N@@H+](CC1CC1)[C@](C)(CC)C(=O)[O-] ZINC000659792583 975880398 /nfs/dbraw/zinc/88/03/98/975880398.db2.gz PREGQBOSOAZQSY-IAQYHMDHSA-N 0 1 291.382 3.633 20 0 CHADMN Cc1cc([C@@H](C)[N@@H+](CCC2CC2)CC2CC2)oc1C(=O)[O-] ZINC000659803908 975894997 /nfs/dbraw/zinc/89/49/97/975894997.db2.gz PRZWNQBGQDWCPI-GFCCVEGCSA-N 0 1 291.391 3.859 20 0 CHADMN Cc1ccc(C[N@@H+]2CC[C@H](CC(C)C)C2)cc1C(=O)[O-] ZINC000701826192 977045797 /nfs/dbraw/zinc/04/57/97/977045797.db2.gz IUTALXTZIPBBQB-OAHLLOKOSA-N 0 1 275.392 3.561 20 0 CHADMN C[C@@H]1CC[C@H](NCc2nc(C(C)(C)C)cs2)CS1 ZINC000655713348 1118190885 /nfs/dbraw/zinc/19/08/85/1118190885.db2.gz YYKWPMZRLLAGDQ-MNOVXSKESA-N 0 1 284.494 3.814 20 0 CHADMN COc1c(C)cccc1CN[C@H](C)c1cnc(C)s1 ZINC000655812052 1118221343 /nfs/dbraw/zinc/22/13/43/1118221343.db2.gz NPRQAWOWEUVDKR-LLVKDONJSA-N 0 1 276.405 3.619 20 0 CHADMN Cc1cc(CN2CC[C@H](C(F)(F)F)C[C@H]2C)sn1 ZINC000639227897 1118327054 /nfs/dbraw/zinc/32/70/54/1118327054.db2.gz MMWUAENZEZGEPF-ZJUUUORDSA-N 0 1 278.343 3.614 20 0 CHADMN C/C(=C/C[N@@H+](Cc1ccccc1)CC(C)(C)C)C(=O)[O-] ZINC000846243593 979419997 /nfs/dbraw/zinc/41/99/97/979419997.db2.gz DMYUWGXYOQJQOX-UVTDQMKNSA-N 0 1 275.392 3.566 20 0 CHADMN C/C(=C\C[N@@H+](Cc1ccccc1)CC(C)(C)C)C(=O)[O-] ZINC000846243592 979420249 /nfs/dbraw/zinc/42/02/49/979420249.db2.gz DMYUWGXYOQJQOX-GXDHUFHOSA-N 0 1 275.392 3.566 20 0 CHADMN CCC(CC)C[N@@H+](CC)Cc1ccc(C(=O)[O-])c(C)c1 ZINC001595111583 979458432 /nfs/dbraw/zinc/45/84/32/979458432.db2.gz NTMXJNKOIZLRMZ-UHFFFAOYSA-N 0 1 277.408 3.951 20 0 CHADMN C[C@@H]1CC[N@@H+](CCC2CCCCCC2)[C@@H](C(=O)[O-])C1 ZINC000656190907 1118435239 /nfs/dbraw/zinc/43/52/39/1118435239.db2.gz IMIIMXHGGAJRQK-UKRRQHHQSA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])c1csc(C[N@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC000872158771 980041443 /nfs/dbraw/zinc/04/14/43/980041443.db2.gz IHJAPMSOYLZZAA-CQSZACIVSA-N 0 1 279.405 3.601 20 0 CHADMN O=C([O-])c1csc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000872159141 980041460 /nfs/dbraw/zinc/04/14/60/980041460.db2.gz OOPREPZCBKEBFW-MRXNPFEDSA-N 0 1 291.416 3.769 20 0 CHADMN C[C@H](C[N@H+]1CCc2cccc(C(=O)[O-])c2C1)CC(C)(C)C ZINC000872160700 980048642 /nfs/dbraw/zinc/04/86/42/980048642.db2.gz LXNXAFVRXBYJEW-ZDUSSCGKSA-N 0 1 289.419 3.815 20 0 CHADMN O=C([O-])c1csc(C[N@H+]2CCC[C@H](C3CCC3)CC2)c1 ZINC000872163015 980053873 /nfs/dbraw/zinc/05/38/73/980053873.db2.gz SLBZGIRLHOWMKG-ZDUSSCGKSA-N 0 1 293.432 3.849 20 0 CHADMN CC1(C)[C@@H](c2ccccc2F)CC[N@H+]1CCCCC(=O)[O-] ZINC000872165532 980059348 /nfs/dbraw/zinc/05/93/48/980059348.db2.gz XKZNUSLIHTZUSI-CQSZACIVSA-N 0 1 293.382 3.649 20 0 CHADMN CCc1oc(C[N@H+]2CCC[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000901417389 980264567 /nfs/dbraw/zinc/26/45/67/980264567.db2.gz JXLUZJHBRIFCQD-INIZCTEOSA-N 0 1 299.370 3.877 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000901780436 980510836 /nfs/dbraw/zinc/51/08/36/980510836.db2.gz YWCZPRKIFFBKFA-YOEHRIQHSA-N 0 1 299.414 3.735 20 0 CHADMN CSC(C)(C)CC[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000901838008 980557259 /nfs/dbraw/zinc/55/72/59/980557259.db2.gz GIXQOCBZPDEQQM-UHFFFAOYSA-N 0 1 289.485 3.587 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@@H+](CC(=O)[O-])C(C)C ZINC000901975883 980657116 /nfs/dbraw/zinc/65/71/16/980657116.db2.gz GUYIIUOUGUMJTB-AWEZNQCLSA-N 0 1 255.402 3.554 20 0 CHADMN CC1(C)CCC[C@@H](C[N@@H+](CC(=O)[O-])C2CCCC2)C1 ZINC000902039117 980709502 /nfs/dbraw/zinc/70/95/02/980709502.db2.gz YUVCDEYEGXOSRH-CYBMUJFWSA-N 0 1 267.413 3.532 20 0 CHADMN CCC(CC)C[N@@H+](CC)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902129518 980748909 /nfs/dbraw/zinc/74/89/09/980748909.db2.gz BBFXDPNSZMMTMF-KTKRTIGZSA-N 0 1 279.380 3.636 20 0 CHADMN CCC1(CC)CCC[N@H+]([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001595374851 980888620 /nfs/dbraw/zinc/88/86/20/980888620.db2.gz YMWDPKCSIXRNBD-NSHDSACASA-N 0 1 296.436 3.805 20 0 CHADMN CCc1oc(C[N@H+]([C@@H](C)[C@H](C)CC)C2CC2)cc1C(=O)[O-] ZINC000902516490 980916395 /nfs/dbraw/zinc/91/63/95/980916395.db2.gz GHAPYKQUQMIQII-NEPJUHHUSA-N 0 1 293.407 3.939 20 0 CHADMN CCc1oc(C[N@H+]2CCCC[C@H]2CC(C)C)cc1C(=O)[O-] ZINC000902523952 980921027 /nfs/dbraw/zinc/92/10/27/980921027.db2.gz MNBASUSNLKTSCC-ZDUSSCGKSA-N 0 1 293.407 3.941 20 0 CHADMN Cc1ccc(C)c([C@H]2CCC[N@H+]2CCC(C)(C)C(=O)[O-])c1 ZINC000902525705 980921644 /nfs/dbraw/zinc/92/16/44/980921644.db2.gz KUOOGPFVQJKSCI-MRXNPFEDSA-N 0 1 289.419 3.941 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000902531494 980923675 /nfs/dbraw/zinc/92/36/75/980923675.db2.gz UITDWCLFMFAZJA-IUODEOHRSA-N 0 1 293.382 3.710 20 0 CHADMN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000902545210 980927652 /nfs/dbraw/zinc/92/76/52/980927652.db2.gz GNYUJNQNIXEJKV-QMTHXVAHSA-N 0 1 281.783 3.659 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CCC(C)(C)C(=O)[O-])C2)cc1 ZINC000902545986 980928174 /nfs/dbraw/zinc/92/81/74/980928174.db2.gz OMPDNORXHAOICB-GDBMZVCRSA-N 0 1 289.419 3.674 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)C1CC(C)(C)C1 ZINC000902545808 980928447 /nfs/dbraw/zinc/92/84/47/980928447.db2.gz MHYMGSQLMNRKTI-UHFFFAOYSA-N 0 1 281.783 3.659 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CCCC(C)(F)F)CC(=O)[O-] ZINC000903608474 980989992 /nfs/dbraw/zinc/98/99/92/980989992.db2.gz IXAWQWUDEHNWQG-CQSZACIVSA-N 0 1 299.361 3.960 20 0 CHADMN C[C@H](C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1)CC(C)(C)C ZINC000903616884 980994307 /nfs/dbraw/zinc/99/43/07/980994307.db2.gz MOYLMGLPGPQWHH-ZDUSSCGKSA-N 0 1 289.419 3.815 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000903631322 981007836 /nfs/dbraw/zinc/00/78/36/981007836.db2.gz QAUKPAIOAPVGQK-QWQRMKEZSA-N 0 1 297.398 3.943 20 0 CHADMN O=C([O-])c1cccc(Cl)c1C[N@H+]1CCCC12CCC2 ZINC000903631736 981008594 /nfs/dbraw/zinc/00/85/94/981008594.db2.gz QHDIXMNUKRNAKG-UHFFFAOYSA-N 0 1 279.767 3.557 20 0 CHADMN C[C@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903890694 981023415 /nfs/dbraw/zinc/02/34/15/981023415.db2.gz CDUASPHKLOWAND-ZDUSSCGKSA-N 0 1 298.386 3.698 20 0 CHADMN CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC001595444188 981086613 /nfs/dbraw/zinc/08/66/13/981086613.db2.gz KGEMLSHJCPYIQB-AAEUAGOBSA-N 0 1 281.421 3.847 20 0 CHADMN CCc1ccccc1CC[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000905373394 981097435 /nfs/dbraw/zinc/09/74/35/981097435.db2.gz NSNIDQRXRKNPAV-SFHVURJKSA-N 0 1 297.398 3.549 20 0 CHADMN CC[C@@H]1CC[N@@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)[C@@H]1C ZINC001595464460 981150109 /nfs/dbraw/zinc/15/01/09/981150109.db2.gz OOVKFJQGGDPMCX-JTNHKYCSSA-N 0 1 281.783 3.586 20 0 CHADMN CC[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)[C@@H]1C ZINC001595464710 981151699 /nfs/dbraw/zinc/15/16/99/981151699.db2.gz UVPBTYKSCSQAFU-ZYHUDNBSSA-N 0 1 281.783 3.659 20 0 CHADMN C[C@H](NCc1c(C2CC2)cnn1C)c1ccc(Cl)s1 ZINC000656685040 1118635337 /nfs/dbraw/zinc/63/53/37/1118635337.db2.gz IQELDMNWERKMOS-VIFPVBQESA-N 0 1 295.839 3.863 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])c(CC)[nH]1 ZINC001595571129 981478158 /nfs/dbraw/zinc/47/81/58/981478158.db2.gz NCPPEDCPSTZXCJ-WBMJQRKESA-N 0 1 292.423 3.676 20 0 CHADMN CCC[C@]1(C)CCC[N@H+]([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001595617575 981654729 /nfs/dbraw/zinc/65/47/29/981654729.db2.gz QZUQKKJTSXZWOX-XHDPSFHLSA-N 0 1 296.436 3.805 20 0 CHADMN CC[C@@](C)(C(=O)[O-])[N@@H+](CCC1CCCC1)CC1CC1 ZINC001594787431 981818997 /nfs/dbraw/zinc/81/89/97/981818997.db2.gz DPNSGIFIZPQQAH-INIZCTEOSA-N 0 1 267.413 3.532 20 0 CHADMN CCCC[C@@H](CC)C[N@@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC001595632326 981853452 /nfs/dbraw/zinc/85/34/52/981853452.db2.gz FKSPSIYXVHYIEY-CYBMUJFWSA-N 0 1 267.413 3.675 20 0 CHADMN CCC(C)(C)[N@@H+](C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC001594804750 981902777 /nfs/dbraw/zinc/90/27/77/981902777.db2.gz JBVLGDVRNIBHFM-UHFFFAOYSA-N 0 1 299.798 3.537 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC001594876119 982212401 /nfs/dbraw/zinc/21/24/01/982212401.db2.gz KDBCPJKZDUQJLR-UHTWSYAYSA-N 0 1 281.421 3.630 20 0 CHADMN CN(CCC(F)(F)F)Cc1ccnc2ccccc12 ZINC000535823881 1118901450 /nfs/dbraw/zinc/90/14/50/1118901450.db2.gz HRPJLASNDIYDTI-UHFFFAOYSA-N 0 1 268.282 3.619 20 0 CHADMN CCC[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccc(C)cc1 ZINC001595888174 982916909 /nfs/dbraw/zinc/91/69/09/982916909.db2.gz ILRNFPPTOVVIHV-UHFFFAOYSA-N 0 1 287.359 3.698 20 0 CHADMN CC(C)=CCCSc1nc(-c2ccccc2O)n[nH]1 ZINC000657239216 1118928766 /nfs/dbraw/zinc/92/87/66/1118928766.db2.gz GANHNYYUKOWEMI-UHFFFAOYSA-N 0 1 275.377 3.626 20 0 CHADMN Cc1c[nH]c(CN[C@H](c2ccccc2C)C(C)C)n1 ZINC000657373615 1119038633 /nfs/dbraw/zinc/03/86/33/1119038633.db2.gz XQSJXELXDKNAGC-INIZCTEOSA-N 0 1 257.381 3.513 20 0 CHADMN COCc1cc(CN[C@@H](C)c2ccccc2F)ccc1F ZINC000112545753 1125488149 /nfs/dbraw/zinc/48/81/49/1125488149.db2.gz FRGILXFMBOPOGT-LBPRGKRZSA-N 0 1 291.341 3.962 20 0 CHADMN CC[N@@H+](C/C=C\c1ccc(Cl)cc1)C(C)(C)C(=O)[O-] ZINC001596299619 983725230 /nfs/dbraw/zinc/72/52/30/983725230.db2.gz RCKUJEBMJHIDQG-WAYWQWQTSA-N 0 1 281.783 3.538 20 0 CHADMN Cc1ccc(C[C@@H]2CCCN2Cc2nnc(C(C)C)o2)cc1 ZINC000113263819 1125492679 /nfs/dbraw/zinc/49/26/79/1125492679.db2.gz OOGHWBPQDAWSIP-INIZCTEOSA-N 0 1 299.418 3.709 20 0 CHADMN C[C@@H]1CCCN1Cc1ccc(F)cc1Br ZINC000049595413 1125496902 /nfs/dbraw/zinc/49/69/02/1125496902.db2.gz NFXAPWTVODPXML-SECBINFHSA-N 0 1 272.161 3.573 20 0 CHADMN CC[C@@H](Cc1ccc(Cl)cc1)NCc1nnc(C)s1 ZINC000657971635 1119656313 /nfs/dbraw/zinc/65/63/13/1119656313.db2.gz LKCIIFZNAXUMFO-ZDUSSCGKSA-N 0 1 295.839 3.611 20 0 CHADMN CC(C)(C)C1CCC(C[N@H+]2C3CCC2(C(=O)[O-])CC3)CC1 ZINC001589727195 987922365 /nfs/dbraw/zinc/92/23/65/987922365.db2.gz XVMDJKPLJUHYHT-UHFFFAOYSA-N 0 1 293.451 3.921 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC001589732406 987960581 /nfs/dbraw/zinc/96/05/81/987960581.db2.gz KRSYZJMSGXFGSG-SWLSCSKDSA-N 0 1 293.382 3.710 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1cc(F)ccc1F ZINC000414292659 1119969529 /nfs/dbraw/zinc/96/95/29/1119969529.db2.gz VAENQXNDQMIJRX-OWYVNGRQSA-N 0 1 257.299 3.896 20 0 CHADMN Cc1ccc(C)c(OCC[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1 ZINC000303720841 1120180712 /nfs/dbraw/zinc/18/07/12/1120180712.db2.gz RRRQVYZYEDUOCU-GJZGRUSLSA-N 0 1 279.449 3.508 20 0 CHADMN CC(C)[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2F)[C@H]1C(C)C ZINC001591096170 991685983 /nfs/dbraw/zinc/68/59/83/991685983.db2.gz BCXBRIAVWCHPLI-HOCLYGCPSA-N 0 1 293.382 3.636 20 0 CHADMN C[N@@H+](C/C=C/c1ccc(F)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC001598467742 991978506 /nfs/dbraw/zinc/97/85/06/991978506.db2.gz AHYSSDFMEJNGOM-NSCUHMNNSA-N 0 1 299.345 3.669 20 0 CHADMN C[N@@H+](CCCCC(=O)[O-])[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001598475924 992076602 /nfs/dbraw/zinc/07/66/02/992076602.db2.gz QTMHRSZFVITSBR-SJORKVTESA-N 0 1 289.419 3.900 20 0 CHADMN C[N@@H+](Cc1cccc2ccoc21)[C@H](C(=O)[O-])c1ccccc1 ZINC001598526917 992731878 /nfs/dbraw/zinc/73/18/78/992731878.db2.gz CSZLOSQCMYCREJ-INIZCTEOSA-N 0 1 295.338 3.691 20 0 CHADMN CC(C)[N@@H+](CCC(C)(C)C(=O)[O-])Cc1ccccc1F ZINC001591589456 992798991 /nfs/dbraw/zinc/79/89/91/992798991.db2.gz MBZSJTOTXCXSGK-UHFFFAOYSA-N 0 1 281.371 3.537 20 0 CHADMN CC(C)[N@H+](Cc1[nH]cc(C(=O)[O-])c1C1CC1)CC1CCC1 ZINC001591595303 992818433 /nfs/dbraw/zinc/81/84/33/992818433.db2.gz KYQFFVMEVYUXFZ-UHFFFAOYSA-N 0 1 290.407 3.601 20 0 CHADMN CC(C)[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)[C@H](C)c1ccccc1 ZINC001591597112 992827439 /nfs/dbraw/zinc/82/74/39/992827439.db2.gz XYLAYNSQJQROGP-CYBMUJFWSA-N 0 1 286.375 3.685 20 0 CHADMN CC(C)[N@@H+](Cc1cncc(C(=O)[O-])c1)[C@H](C)c1ccccc1 ZINC001591604170 992841450 /nfs/dbraw/zinc/84/14/50/992841450.db2.gz LEEYFTPSBKLPFS-CQSZACIVSA-N 0 1 298.386 3.751 20 0 CHADMN CC(C)(C)CC(C)(C)NCc1nc(C(C)(C)C)no1 ZINC000063511893 1120267540 /nfs/dbraw/zinc/26/75/40/1120267540.db2.gz XVZZHHIMNXBPLU-UHFFFAOYSA-N 0 1 267.417 3.672 20 0 CHADMN CC(C)[C@H](N)c1noc([C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000228231227 1120286728 /nfs/dbraw/zinc/28/67/28/1120286728.db2.gz VQHAFKHDVFDRLZ-AEJSXWLSSA-N 0 1 291.317 3.562 20 0 CHADMN CCN(Cc1nc(C)oc1C)[C@@H](C)Cc1ccsc1 ZINC000660333274 1120509038 /nfs/dbraw/zinc/50/90/38/1120509038.db2.gz IQYWEEOROJTCKM-NSHDSACASA-N 0 1 278.421 3.806 20 0 CHADMN Clc1cccc2c1OC[C@H]2NCc1cccs1 ZINC000364425314 1120598844 /nfs/dbraw/zinc/59/88/44/1120598844.db2.gz ICWHXRQYGXCSNR-GFCCVEGCSA-N 0 1 265.765 3.625 20 0 CHADMN CN(Cc1nc(C2CC2)cs1)C[C@@H]1CC=CCC1 ZINC000344058582 1121069502 /nfs/dbraw/zinc/06/95/02/1121069502.db2.gz LBGRRSFZSGOKDL-GFCCVEGCSA-N 0 1 262.422 3.809 20 0 CHADMN CCC(CC)NC(=O)[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000037980665 1121090148 /nfs/dbraw/zinc/09/01/48/1121090148.db2.gz WSDROJHBYULUNM-NEPJUHHUSA-N 0 1 296.842 3.684 20 0 CHADMN CCS[C@H]1CC[C@@H](N(C)Cc2ncoc2C(C)C)C1 ZINC000092798415 1121574475 /nfs/dbraw/zinc/57/44/75/1121574475.db2.gz XHLJQUQFMZWVJE-OLZOCXBDSA-N 0 1 282.453 3.904 20 0 CHADMN CC(C)C[C@H]1CN(C)CCN1Cc1ccsc1Cl ZINC001176432167 1121620076 /nfs/dbraw/zinc/62/00/76/1121620076.db2.gz NDUODIAMGWJSPU-ZDUSSCGKSA-N 0 1 286.872 3.564 20 0 CHADMN CC(C)Oc1ncccc1CN[C@H](C)c1cccs1 ZINC000048760438 1121662596 /nfs/dbraw/zinc/66/25/96/1121662596.db2.gz VSGGUIGRTVRYQF-GFCCVEGCSA-N 0 1 276.405 3.781 20 0 CHADMN Fc1cc(CNCc2ccoc2)ccc1C(F)F ZINC001177436806 1121730209 /nfs/dbraw/zinc/73/02/09/1121730209.db2.gz GVLQFHFKOBQKDO-UHFFFAOYSA-N 0 1 255.239 3.646 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1ccc(F)c(C)c1 ZINC000732285932 1121916757 /nfs/dbraw/zinc/91/67/57/1121916757.db2.gz KUEODSAYAFJMNT-UHFFFAOYSA-N 0 1 280.387 3.585 20 0 CHADMN CCc1cccc2cc(CN3CCSCC3)oc21 ZINC001180546089 1121998551 /nfs/dbraw/zinc/99/85/51/1121998551.db2.gz AOSGNOMIXLJECT-UHFFFAOYSA-N 0 1 261.390 3.544 20 0 CHADMN CC(C)c1nnc(CN2CC[C@H](C3CCCC3)C2)s1 ZINC000420967379 1122052545 /nfs/dbraw/zinc/05/25/45/1122052545.db2.gz YJUGDVGVYSZCSM-ZDUSSCGKSA-N 0 1 279.453 3.674 20 0 CHADMN CC(C)[C@H](C)NC(=O)CN(C(C)C)[C@H](C)c1ccsc1 ZINC000421020070 1122064230 /nfs/dbraw/zinc/06/42/30/1122064230.db2.gz YQBHEPAPYIRLBC-UONOGXRCSA-N 0 1 296.480 3.680 20 0 CHADMN OCCCCCNC1(c2c(Cl)cccc2Cl)CC1 ZINC000271774038 1122175653 /nfs/dbraw/zinc/17/56/53/1122175653.db2.gz JLYIBKKGRURYKI-UHFFFAOYSA-N 0 1 288.218 3.735 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2C[C@@H](C)[C@H](C)C2)s1 ZINC000273550755 1122239316 /nfs/dbraw/zinc/23/93/16/1122239316.db2.gz BYDKGLIWZYGTDC-HTQZYQBOSA-N 0 1 278.343 3.558 20 0 CHADMN Clc1ccc([C@@H]2CCN2C[C@H]2CCC=CO2)cc1 ZINC000774909367 1122353182 /nfs/dbraw/zinc/35/31/82/1122353182.db2.gz PMBAYJKAJFYLBW-CABCVRRESA-N 0 1 263.768 3.780 20 0 CHADMN CC1(C)CCN(Cc2ccc(F)cc2F)CCS1 ZINC000434674521 1122393731 /nfs/dbraw/zinc/39/37/31/1122393731.db2.gz VQJKMGXHGLFGLG-UHFFFAOYSA-N 0 1 271.376 3.682 20 0 CHADMN Oc1cc(CN2CCC(F)(F)CC2)c(F)c(F)c1Cl ZINC001250387056 1122549286 /nfs/dbraw/zinc/54/92/86/1122549286.db2.gz GFAREHKONUBCAY-UHFFFAOYSA-N 0 1 297.679 3.555 20 0 CHADMN CCC(CC)N(Cc1ncccc1Br)C1CC1 ZINC001190720872 1122552273 /nfs/dbraw/zinc/55/22/73/1122552273.db2.gz IXUDVYMXJRWQKR-UHFFFAOYSA-N 0 1 297.240 3.997 20 0 CHADMN CCCCN(C)Cc1nc2ccccc2n1CCC ZINC000505875783 1122579408 /nfs/dbraw/zinc/57/94/08/1122579408.db2.gz AYWISUYPVJILRY-UHFFFAOYSA-N 0 1 259.397 3.678 20 0 CHADMN CC(C)[C@@H]1C[C@H]1CNCc1csc(C(F)(F)F)n1 ZINC000894741701 1122901125 /nfs/dbraw/zinc/90/11/25/1122901125.db2.gz KMVURPUGQSBJPI-WPRPVWTQSA-N 0 1 278.343 3.544 20 0 CHADMN CC(C)[C@H](C)[N@@H+](C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000507189686 1122937698 /nfs/dbraw/zinc/93/76/98/1122937698.db2.gz WHABJPOPYGCYFY-NEPJUHHUSA-N 0 1 266.454 3.744 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C[C@H]1CC1(Cl)Cl ZINC000775866306 1122995788 /nfs/dbraw/zinc/99/57/88/1122995788.db2.gz FLXAUCHWOXRMDJ-HLTSFMKQSA-N 0 1 290.156 3.843 20 0 CHADMN CC[C@H]1CCN(Cc2ccc(F)c(Br)c2)C1 ZINC000161650308 1123122309 /nfs/dbraw/zinc/12/23/09/1123122309.db2.gz QILOMCAGNVCBMR-JTQLQIEISA-N 0 1 286.188 3.820 20 0 CHADMN CCC1(CC)C[N@@H+](CCCC2CCCC2)CC[S@]1=O ZINC000346026159 1123159619 /nfs/dbraw/zinc/15/96/19/1123159619.db2.gz ZQOQFKUAOBBTPU-LJQANCHMSA-N 0 1 285.497 3.580 20 0 CHADMN CCC1(CC)CN(CCCC2CCCC2)CC[S@]1=O ZINC000346026159 1123159621 /nfs/dbraw/zinc/15/96/21/1123159621.db2.gz ZQOQFKUAOBBTPU-LJQANCHMSA-N 0 1 285.497 3.580 20 0 CHADMN CC(C)CCN[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000185241441 1123220361 /nfs/dbraw/zinc/22/03/61/1123220361.db2.gz RMSZGBCJKHAELT-LBPRGKRZSA-N 0 1 265.401 3.814 20 0 CHADMN C[C@@H](c1ccccc1F)N1CC(C)(C)OC(C)(C)C1 ZINC000442873252 1123344321 /nfs/dbraw/zinc/34/43/21/1123344321.db2.gz JXPSHOMFHAXQOL-LBPRGKRZSA-N 0 1 265.372 3.776 20 0 CHADMN CC(C)c1nnc(CN[C@H]2CC[C@H]2C(C)(C)C)s1 ZINC000348073299 1123356992 /nfs/dbraw/zinc/35/69/92/1123356992.db2.gz KZARTRPRRXTCAW-MNOVXSKESA-N 0 1 267.442 3.576 20 0 CHADMN Cc1cnc(CN(Cc2ccsc2)C(C)(C)C)cn1 ZINC000852312250 1123402159 /nfs/dbraw/zinc/40/21/59/1123402159.db2.gz ZVTNKPUTSUGNEH-UHFFFAOYSA-N 0 1 275.421 3.647 20 0 CHADMN C[C@H]1COC2(CCCC2)CN1CC[C@@H]1CC1(Cl)Cl ZINC000852635227 1123411010 /nfs/dbraw/zinc/41/10/10/1123411010.db2.gz DQXYYEMVYMPXJX-NWDGAFQWSA-N 0 1 292.250 3.604 20 0 CHADMN C[C@@H](N[C@H](C)C1CCC(F)(F)CC1)c1ncco1 ZINC000895766004 1123510702 /nfs/dbraw/zinc/51/07/02/1123510702.db2.gz QQHGBHWXRHOHEE-NXEZZACHSA-N 0 1 258.312 3.539 20 0 CHADMN C[C@@H](CC1CCC1)NCc1csc(C(F)(F)F)n1 ZINC000895777563 1123513549 /nfs/dbraw/zinc/51/35/49/1123513549.db2.gz MYHFUWITSXSTRC-QMMMGPOBSA-N 0 1 278.343 3.830 20 0 CHADMN CCSCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000118610517 1123787075 /nfs/dbraw/zinc/78/70/75/1123787075.db2.gz LHDMHFLPKTXPRL-UHFFFAOYSA-N 0 1 299.852 3.970 20 0 CHADMN Cc1c(F)nccc1CN(C)Cc1ccc(Cl)cc1 ZINC000862212739 1123793474 /nfs/dbraw/zinc/79/34/74/1123793474.db2.gz LAFHMSGJKAMFTB-UHFFFAOYSA-N 0 1 278.758 3.815 20 0 CHADMN CCC(C)(C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000042336649 1123782217 /nfs/dbraw/zinc/78/22/17/1123782217.db2.gz DKQAONRWXKGSFA-RYUDHWBXSA-N 0 1 296.842 3.684 20 0 CHADMN COc1ccc2nc(SCCC(F)(F)Cl)[nH]c2c1 ZINC000863211041 1123852882 /nfs/dbraw/zinc/85/28/82/1123852882.db2.gz TVWYEBQVKRKFHY-UHFFFAOYSA-N 0 1 292.738 3.885 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2cncs2)c(C)o1 ZINC000119385001 1123858759 /nfs/dbraw/zinc/85/87/59/1123858759.db2.gz KXKFCISWKPBBRC-UWVGGRQHSA-N 0 1 250.367 3.765 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000864360913 1123925004 /nfs/dbraw/zinc/92/50/04/1123925004.db2.gz RQWWEHBQSLXYFY-BFYDXBDKSA-N 0 1 281.440 3.802 20 0 CHADMN Cc1scc(CNCc2ccc(Cl)nc2)c1C ZINC000865419234 1123982269 /nfs/dbraw/zinc/98/22/69/1123982269.db2.gz RQJYKLKJWUVCSW-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN Cc1cccc(CN2CCC[C@@H](C(F)(F)F)C2)c1F ZINC000449009031 1124631913 /nfs/dbraw/zinc/63/19/13/1124631913.db2.gz TVKMVUNMKYJGBH-GFCCVEGCSA-N 0 1 275.289 3.908 20 0 CHADMN CC(C)(C)[C@@H]1C[C@H](NCC(F)(F)C(C)(C)C)CCO1 ZINC000872087790 1124680779 /nfs/dbraw/zinc/68/07/79/1124680779.db2.gz HLCJZPMDZQTVJS-NEPJUHHUSA-N 0 1 277.399 3.851 20 0 CHADMN C[C@H](N[C@@H](CCc1ccccc1)C(F)F)C1CC1 ZINC000449447367 1124743332 /nfs/dbraw/zinc/74/33/32/1124743332.db2.gz ZACJSWLQHKSNBB-FZMZJTMJSA-N 0 1 253.336 3.641 20 0 CHADMN CC(C)n1cc(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)cn1 ZINC000449457338 1124746799 /nfs/dbraw/zinc/74/67/99/1124746799.db2.gz FWSMGMWDTZCYOO-DGCLKSJQSA-N 0 1 289.345 3.627 20 0 CHADMN COCC[C@@H]1CCCCN1Cc1c(F)ccc(C)c1F ZINC001138118905 1131469065 /nfs/dbraw/zinc/46/90/65/1131469065.db2.gz UCYVCARJKIAJTQ-ZDUSSCGKSA-N 0 1 283.362 3.664 20 0 CHADMN COC[C@H]1CCCN(Cc2cccc(Cl)c2F)CC1 ZINC000449774217 1124867033 /nfs/dbraw/zinc/86/70/33/1124867033.db2.gz KAVBLVPWACPOKL-LBPRGKRZSA-N 0 1 285.790 3.728 20 0 CHADMN C[C@@H](O)C[C@H]1CCCN1Cc1ccsc1C(F)(F)F ZINC000529529420 1124980383 /nfs/dbraw/zinc/98/03/83/1124980383.db2.gz BHPDSAJMXNASIJ-MWLCHTKSSA-N 0 1 293.354 3.502 20 0 CHADMN Clc1cncc(Cl)c1CNC1(C2CCC2)CC1 ZINC000878807539 1125179582 /nfs/dbraw/zinc/17/95/82/1125179582.db2.gz PKPZDBFSRFFMPB-UHFFFAOYSA-N 0 1 271.191 3.811 20 0 CHADMN CSC[C@H]1CCCN(Cc2cc(C)nc(Cl)c2)C1 ZINC000321327932 1125337615 /nfs/dbraw/zinc/33/76/15/1125337615.db2.gz OYMRQTOMOGBXGB-LBPRGKRZSA-N 0 1 284.856 3.618 20 0 CHADMN CC(C)(C)c1csc(CN2CCCCC[C@H]2CCO)n1 ZINC000342010391 1125388208 /nfs/dbraw/zinc/38/82/08/1125388208.db2.gz DBFRRDFCYOWNHC-ZDUSSCGKSA-N 0 1 296.480 3.568 20 0 CHADMN COc1c(F)cc(CN2CCCCC[C@@H]2C)cc1F ZINC001138422855 1131503424 /nfs/dbraw/zinc/50/34/24/1131503424.db2.gz AFXQQRRMCQKROR-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN Cc1cnc(CN2C[C@@H](C)C[C@H](C)C2)cc1Br ZINC001143663479 1131521172 /nfs/dbraw/zinc/52/11/72/1131521172.db2.gz XLKKKZXEDDTZFI-QWRGUYRKSA-N 0 1 297.240 3.630 20 0 CHADMN Fc1ccc(Cl)c(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1 ZINC001138672076 1131534961 /nfs/dbraw/zinc/53/49/61/1131534961.db2.gz PYUMIFYRAMBLKW-PHIMTYICSA-N 0 1 289.728 3.956 20 0 CHADMN COc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C)c(F)c1F ZINC001143914642 1131553970 /nfs/dbraw/zinc/55/39/70/1131553970.db2.gz ASWQHTIVVJSUQT-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN COc1ccc(CN2CC[C@@H](C)C[C@@H]2C)c(F)c1F ZINC001143914642 1131553976 /nfs/dbraw/zinc/55/39/76/1131553976.db2.gz ASWQHTIVVJSUQT-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN COC[C@H]1CCCN1Cc1cc(Cl)ccc1OC(C)C ZINC001138957507 1131565382 /nfs/dbraw/zinc/56/53/82/1131565382.db2.gz HEZTUJODZVUNOO-OAHLLOKOSA-N 0 1 297.826 3.738 20 0 CHADMN COc1cc(CN2CCC[C@@H](C)C2)ccc1Br ZINC001144226971 1131602824 /nfs/dbraw/zinc/60/28/24/1131602824.db2.gz WFTPFKMNRLOZSH-LLVKDONJSA-N 0 1 298.224 3.690 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1F ZINC001140048823 1131659020 /nfs/dbraw/zinc/65/90/20/1131659020.db2.gz RDLILNBTQIEYSM-CYBMUJFWSA-N 0 1 251.345 3.686 20 0 CHADMN O[C@@H](CN1CC[C@@H]1C1CC1)c1ccc(Cl)cc1Cl ZINC000834382856 1131674234 /nfs/dbraw/zinc/67/42/34/1131674234.db2.gz PEKLYOAKUPLMGN-KGLIPLIRSA-N 0 1 286.202 3.511 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCC[C@@H](C)CC1 ZINC001144750066 1131701369 /nfs/dbraw/zinc/70/13/69/1131701369.db2.gz VNJNXNUKNRFSEP-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN C[C@@H]1CCCN1Cc1sc(N2CCCCC2)nc1Cl ZINC001140288653 1131688531 /nfs/dbraw/zinc/68/85/31/1131688531.db2.gz RELIEWMJAANYTM-LLVKDONJSA-N 0 1 299.871 3.771 20 0 CHADMN CCCC[C@H](CCC)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227717580 1131728634 /nfs/dbraw/zinc/72/86/34/1131728634.db2.gz YZQKNCGVIAJONO-QWRGUYRKSA-N 0 1 280.368 3.511 20 0 CHADMN Fc1cc(CN2C[C@H]3CCC[C@@H]3C2)c(F)cc1Cl ZINC001140699233 1131879752 /nfs/dbraw/zinc/87/97/52/1131879752.db2.gz IBZYGSWNCGPDHX-NXEZZACHSA-N 0 1 271.738 3.850 20 0 CHADMN COc1ccc(CN2CCC[C@H](C(F)F)C2)c(Cl)c1 ZINC001140822484 1131936404 /nfs/dbraw/zinc/93/64/04/1131936404.db2.gz SYPKVUBNKNRBHU-NSHDSACASA-N 0 1 289.753 3.826 20 0 CHADMN COc1cc(F)c(CN2CCC[C@@H]2C(C)C)c(F)c1 ZINC001140829377 1131938315 /nfs/dbraw/zinc/93/83/15/1131938315.db2.gz HFAZIYIDZXWKIP-OAHLLOKOSA-N 0 1 269.335 3.594 20 0 CHADMN COc1ccc(CN2CCC23CCCC3)c(Cl)c1 ZINC001140819576 1131934278 /nfs/dbraw/zinc/93/42/78/1131934278.db2.gz BBCKRQXXHIXCCX-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN CCC[C@@H](C)[C@@H](Oc1nnc2c[nH]ccc1-2)C(C)C ZINC001228995022 1131995765 /nfs/dbraw/zinc/99/57/65/1131995765.db2.gz KZMDRTDBZLYFSY-RISCZKNCSA-N 0 1 261.369 3.798 20 0 CHADMN Cc1cccc(CN(C)CC2CC2)c1Br ZINC001141089261 1132009638 /nfs/dbraw/zinc/00/96/38/1132009638.db2.gz PACASFQGSZDYQQ-UHFFFAOYSA-N 0 1 268.198 3.599 20 0 CHADMN FC(F)(F)[C@@H]1CCN(C/C=C/c2ccccc2)C1 ZINC000839533728 1132222423 /nfs/dbraw/zinc/22/24/23/1132222423.db2.gz LTWPXSGNKCGHLG-WXJAXGNASA-N 0 1 255.283 3.584 20 0 CHADMN Cc1cc(Br)cnc1C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC001232049215 1132413851 /nfs/dbraw/zinc/41/38/51/1132413851.db2.gz UABPPMNXIQVJMD-CMPLNLGQSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1cc(Br)cnc1CN1CCC[C@H](C)[C@H]1C ZINC001232049215 1132413852 /nfs/dbraw/zinc/41/38/52/1132413852.db2.gz UABPPMNXIQVJMD-CMPLNLGQSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1cccc(F)c1CN1CC[C@H](C(F)(F)F)C1 ZINC001232482948 1132476956 /nfs/dbraw/zinc/47/69/56/1132476956.db2.gz ABIPYNFUSLZFEP-JTQLQIEISA-N 0 1 261.262 3.518 20 0 CHADMN CC[C@@H]1CCCN1Cc1c(F)cc(Cl)cc1OC ZINC001233002958 1132559816 /nfs/dbraw/zinc/55/98/16/1132559816.db2.gz SDXJVKCIBQVKCK-LLVKDONJSA-N 0 1 271.763 3.862 20 0 CHADMN Cc1cc(C)c(CN(C)Cc2ccc(Cl)cc2)cn1 ZINC001233006463 1132559901 /nfs/dbraw/zinc/55/99/01/1132559901.db2.gz COIZAAVTZCBOSF-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN FC(F)(F)c1cc(CN2C[C@H]3CCC[C@@H]3C2)cs1 ZINC001233174572 1132578068 /nfs/dbraw/zinc/57/80/68/1132578068.db2.gz REKPDRGQATXIJO-GHMZBOCLSA-N 0 1 275.339 3.999 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2cccs2)cc(C)n1 ZINC001204381282 1132590655 /nfs/dbraw/zinc/59/06/55/1132590655.db2.gz BOTMMUZWIYRWHO-ZDUSSCGKSA-N 0 1 260.406 3.953 20 0 CHADMN CC[NH+]1CCC(Oc2cc(Cl)c([O-])cc2Cl)CC1 ZINC001227642000 1135852489 /nfs/dbraw/zinc/85/24/89/1135852489.db2.gz UQUUNRWVMFKFQT-UHFFFAOYSA-N 0 1 290.190 3.562 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2cccc(Cl)c2)n1 ZINC000051573868 1125510191 /nfs/dbraw/zinc/51/01/91/1125510191.db2.gz LSOOWEHZQJWCMI-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN CC[C@@H](C)CN(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000133511414 1125511210 /nfs/dbraw/zinc/51/12/10/1125511210.db2.gz LGSVQXCYOMVDFN-CYBMUJFWSA-N 0 1 257.381 3.555 20 0 CHADMN C[C@@H]1CC[C@@H]([NH2+]Cc2ccc([O-])c(Cl)c2)C[C@H]1C ZINC000251813736 1125511373 /nfs/dbraw/zinc/51/13/73/1125511373.db2.gz MNIHBFSSSAZGPB-NQBHXWOUSA-N 0 1 267.800 3.960 20 0 CHADMN Cc1nc(CN(C)C[C@H](C)c2ccccc2)cs1 ZINC000116877910 1125512984 /nfs/dbraw/zinc/51/29/84/1125512984.db2.gz HDHNFKJSHJCXQK-LBPRGKRZSA-N 0 1 260.406 3.687 20 0 CHADMN CCc1ccc(NC(=O)c2cccc3nc[nH]c32)cc1F ZINC000152493436 1125518658 /nfs/dbraw/zinc/51/86/58/1125518658.db2.gz NOMYJSCBSGDYGL-UHFFFAOYSA-N 0 1 283.306 3.517 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1Cc1nccn1C(F)F ZINC000135328709 1125523355 /nfs/dbraw/zinc/52/33/55/1125523355.db2.gz WBDYJHOQABAELO-NWDGAFQWSA-N 0 1 271.355 3.679 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1ccc(C)cc1OC)CC2 ZINC000119823504 1125538640 /nfs/dbraw/zinc/53/86/40/1125538640.db2.gz QRGQPBGQIOOFAC-SFHVURJKSA-N 0 1 297.398 3.789 20 0 CHADMN COc1cc(C)c(CN(C)Cc2occc2C)cc1OC ZINC000120104394 1125541699 /nfs/dbraw/zinc/54/16/99/1125541699.db2.gz UQCUQHQYZCNFBX-UHFFFAOYSA-N 0 1 289.375 3.546 20 0 CHADMN CC1(CNc2ccc3nc(-c4ccccn4)[nH]c3c2)CC1 ZINC001202723558 1125556591 /nfs/dbraw/zinc/55/65/91/1125556591.db2.gz JVQUNCCYDQJGOB-UHFFFAOYSA-N 0 1 278.359 3.837 20 0 CHADMN CC/C=C(\C)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000195373324 1125561254 /nfs/dbraw/zinc/56/12/54/1125561254.db2.gz BLXARKDSMMWHJW-XNWJVHIKSA-N 0 1 297.402 3.891 20 0 CHADMN CCN(Cc1ccncc1)Cc1ccc2cc(C)ccc2n1 ZINC001137209396 1125563485 /nfs/dbraw/zinc/56/34/85/1125563485.db2.gz DBWNXLIUJGBNJF-UHFFFAOYSA-N 0 1 291.398 3.960 20 0 CHADMN Oc1ccc2c(c1)CN(CCc1ccccc1Cl)CC2 ZINC000532731528 1125576473 /nfs/dbraw/zinc/57/64/73/1125576473.db2.gz ZZCPCBCPNQKQIZ-UHFFFAOYSA-N 0 1 287.790 3.646 20 0 CHADMN Fc1cccc(Cl)c1CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000532747796 1125577379 /nfs/dbraw/zinc/57/73/79/1125577379.db2.gz ITMQOHZWOWIJRN-STQMWFEESA-N 0 1 297.801 3.728 20 0 CHADMN COc1ccc(CN2C[C@@H](C)S[C@@H](C)C2)cc1Cl ZINC000532802795 1125583459 /nfs/dbraw/zinc/58/34/59/1125583459.db2.gz KWYYYKWGMQSFOV-PHIMTYICSA-N 0 1 285.840 3.674 20 0 CHADMN CCn1cc(CN(C)[C@@H]2CCCc3ccc(F)cc32)cn1 ZINC000532794601 1125582913 /nfs/dbraw/zinc/58/29/13/1125582913.db2.gz XCLSFGCEVCRYJM-QGZVFWFLSA-N 0 1 287.382 3.552 20 0 CHADMN C[C@H]1CN(Cc2cnn3ccccc23)[C@H]1c1ccccc1 ZINC000245713903 1125589900 /nfs/dbraw/zinc/58/99/00/1125589900.db2.gz GMDKFTQHDFMVPD-KBXCAEBGSA-N 0 1 277.371 3.527 20 0 CHADMN CC(C)CC[C@@H]1CCCN1Cc1nnc(C(C)(C)C)o1 ZINC000135313585 1125584908 /nfs/dbraw/zinc/58/49/08/1125584908.db2.gz XPRGRGXCQKVFDS-ZDUSSCGKSA-N 0 1 279.428 3.768 20 0 CHADMN C[C@@H]1OCC[C@H]1N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000245624266 1125584994 /nfs/dbraw/zinc/58/49/94/1125584994.db2.gz XUBFEQJEBJBHBK-ZWKOPEQDSA-N 0 1 291.288 3.586 20 0 CHADMN C[N@@H+](CCC(=O)[O-])Cc1ccc(C2CCCCC2)cc1 ZINC000532881312 1125586079 /nfs/dbraw/zinc/58/60/79/1125586079.db2.gz NIAJYDOWYWEMPT-UHFFFAOYSA-N 0 1 275.392 3.641 20 0 CHADMN Fc1ccc(F)c(CNCc2cncc3ccccc32)c1 ZINC000135378556 1125587516 /nfs/dbraw/zinc/58/75/16/1125587516.db2.gz PGPKCCNEEZZDQH-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000629364425 1125587685 /nfs/dbraw/zinc/58/76/85/1125587685.db2.gz OECFNAHVRJNFLD-PBHICJAKSA-N 0 1 289.419 3.887 20 0 CHADMN C[C@@H](N(C)Cc1ccn(-c2ccccc2)n1)C(C)(C)C ZINC000532929043 1125588950 /nfs/dbraw/zinc/58/89/50/1125588950.db2.gz XUHCMDZUWFFJBW-CQSZACIVSA-N 0 1 271.408 3.739 20 0 CHADMN C[C@@H]1CCN(Cc2cnc3ccccn23)[C@H]2CCCC[C@H]12 ZINC000532917467 1125590723 /nfs/dbraw/zinc/59/07/23/1125590723.db2.gz JDDGIOGQSXRNEG-OIISXLGYSA-N 0 1 283.419 3.735 20 0 CHADMN CCn1nccc1CN1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000245787281 1125595706 /nfs/dbraw/zinc/59/57/06/1125595706.db2.gz VMMFHIDWRBQJOT-GUYCJALGSA-N 0 1 287.382 3.625 20 0 CHADMN C[C@H](NC[C@H]1CCC[C@@H](C)C1)c1nc(C(C)(C)C)no1 ZINC000237352083 1125596639 /nfs/dbraw/zinc/59/66/39/1125596639.db2.gz XRHLHHSJEVGWRQ-AGIUHOORSA-N 0 1 279.428 3.844 20 0 CHADMN Cc1nc2cc(NCc3cccc4[nH]ccc43)ccc2n1C ZINC000151978226 1125600982 /nfs/dbraw/zinc/60/09/82/1125600982.db2.gz ZNGNJZADPDOQCD-UHFFFAOYSA-N 0 1 290.370 3.975 20 0 CHADMN CCN(Cc1csc(Nc2ccccc2)n1)C1CCC1 ZINC000533435826 1125607268 /nfs/dbraw/zinc/60/72/68/1125607268.db2.gz IHTYXVXPWOHKFX-UHFFFAOYSA-N 0 1 287.432 3.683 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000533448370 1125608728 /nfs/dbraw/zinc/60/87/28/1125608728.db2.gz LBSDRLAOXTZOGV-RYUDHWBXSA-N 0 1 291.826 3.847 20 0 CHADMN CCCCOCCNC1(c2nc(C)cs2)CCCC1 ZINC000348355004 1125622061 /nfs/dbraw/zinc/62/20/61/1125622061.db2.gz BXZJCSZKASNRPP-UHFFFAOYSA-N 0 1 282.453 3.627 20 0 CHADMN C[C@@H]1CO[C@@H](C)CN1Cc1csc2ccccc12 ZINC000066420887 1125622710 /nfs/dbraw/zinc/62/27/10/1125622710.db2.gz BCKRJOSSEMKBQW-NEPJUHHUSA-N 0 1 261.390 3.511 20 0 CHADMN O=C(Nc1cccc(F)c1F)c1cc(-c2ccccc2)n[nH]1 ZINC000067331365 1125626005 /nfs/dbraw/zinc/62/60/05/1125626005.db2.gz WBHAVNZWODAUNL-UHFFFAOYSA-N 0 1 299.280 3.607 20 0 CHADMN CC[C@@H](NCc1cc(C)co1)c1ccc2c(c1)OCCO2 ZINC000885935221 1125628478 /nfs/dbraw/zinc/62/84/78/1125628478.db2.gz GBRHZJKXQHVVRW-OAHLLOKOSA-N 0 1 287.359 3.600 20 0 CHADMN C[C@@H](NCc1cnc(C2CC2)nc1)c1cc2ccccc2o1 ZINC000459386862 1125630526 /nfs/dbraw/zinc/63/05/26/1125630526.db2.gz ZAMPTZIIERHYOP-GFCCVEGCSA-N 0 1 293.370 3.951 20 0 CHADMN COc1cc(Cl)c(C)cc1NCc1n[nH]c(C)c1C ZINC000885985608 1125632552 /nfs/dbraw/zinc/63/25/52/1125632552.db2.gz LUUYDNSPQDTBCF-UHFFFAOYSA-N 0 1 279.771 3.609 20 0 CHADMN Cc1ccncc1CN(C)Cc1ccc2occc2c1 ZINC000348358466 1125633253 /nfs/dbraw/zinc/63/32/53/1125633253.db2.gz KKHKBLFMUGUPLI-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN c1coc(CN(CCc2ccccn2)Cc2cccs2)c1 ZINC000072589913 1125635359 /nfs/dbraw/zinc/63/53/59/1125635359.db2.gz ZIHMJTKACADIEI-UHFFFAOYSA-N 0 1 298.411 3.981 20 0 CHADMN CC[C@@H](NCc1n[nH]c(C)c1C)c1ccc(F)cc1F ZINC000885994536 1125634412 /nfs/dbraw/zinc/63/44/12/1125634412.db2.gz OFYJTLHWYGMRIQ-CQSZACIVSA-N 0 1 279.334 3.546 20 0 CHADMN Cc1[nH]nc(CNc2ccc(C)cc2Br)c1C ZINC000886052810 1125641842 /nfs/dbraw/zinc/64/18/42/1125641842.db2.gz YPBCBBHKZZGFHI-UHFFFAOYSA-N 0 1 294.196 3.710 20 0 CHADMN CCC[C@@H](NCc1[nH]nc(C)c1C)c1ccc(F)cc1F ZINC000886019575 1125637773 /nfs/dbraw/zinc/63/77/73/1125637773.db2.gz XCMGOFOIKCRPLB-OAHLLOKOSA-N 0 1 293.361 3.936 20 0 CHADMN CCC[C@@H](NCc1n[nH]c(C)c1C)c1ccc(F)cc1F ZINC000886019575 1125637777 /nfs/dbraw/zinc/63/77/77/1125637777.db2.gz XCMGOFOIKCRPLB-OAHLLOKOSA-N 0 1 293.361 3.936 20 0 CHADMN Cc1[nH]nc(CNc2cccc(C(F)(F)F)c2)c1C ZINC000886026559 1125638290 /nfs/dbraw/zinc/63/82/90/1125638290.db2.gz YHERHHZHILTTOQ-UHFFFAOYSA-N 0 1 269.270 3.657 20 0 CHADMN Cc1[nH]nc(CNc2ccccc2CC(F)(F)F)c1C ZINC000886038435 1125639978 /nfs/dbraw/zinc/63/99/78/1125639978.db2.gz VONOQEHGOLIKMF-UHFFFAOYSA-N 0 1 283.297 3.743 20 0 CHADMN CC[C@@H](C)n1ncc(NCc2n[nH]c(C)c2C)c1C1CC1 ZINC000886057752 1125642058 /nfs/dbraw/zinc/64/20/58/1125642058.db2.gz WXAVQMIVDFBMPP-SNVBAGLBSA-N 0 1 287.411 3.684 20 0 CHADMN Cc1nc2ccc(NC(=O)CCc3ccc(F)cc3)cc2[nH]1 ZINC000074819709 1125642230 /nfs/dbraw/zinc/64/22/30/1125642230.db2.gz DULXNCDAFCJMDD-UHFFFAOYSA-N 0 1 297.333 3.582 20 0 CHADMN CCc1c(NCc2n[nH]c(C)c2C)cnn1C(CC)CC ZINC000886090280 1125645860 /nfs/dbraw/zinc/64/58/60/1125645860.db2.gz UHYAHCXQQIHFFW-UHFFFAOYSA-N 0 1 289.427 3.759 20 0 CHADMN CC(C)c1nc(CN2CCC[C@@H](C)[C@@H]2C)cs1 ZINC000246658022 1125646867 /nfs/dbraw/zinc/64/68/67/1125646867.db2.gz IWHZYBBUVOFTQM-NEPJUHHUSA-N 0 1 252.427 3.887 20 0 CHADMN CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCC[C@H]1C ZINC000247196934 1125654298 /nfs/dbraw/zinc/65/42/98/1125654298.db2.gz BXBHVHYJYYESEY-KGLIPLIRSA-N 0 1 288.435 3.623 20 0 CHADMN CC[C@@H]1CN(Cc2cc(C)nc3ccccc23)C[C@@H](C)O1 ZINC000247227991 1125654511 /nfs/dbraw/zinc/65/45/11/1125654511.db2.gz XHAAXHAYRGBLFZ-GDBMZVCRSA-N 0 1 284.403 3.543 20 0 CHADMN Cc1n[nH]c(CN[C@@H](c2ccccc2F)C(C)C)c1C ZINC000886160175 1125657730 /nfs/dbraw/zinc/65/77/30/1125657730.db2.gz LUWZEMXBYGNGFU-MRXNPFEDSA-N 0 1 275.371 3.653 20 0 CHADMN Fc1ccc(/C=C/CNCc2cc(C3CC3)no2)cc1F ZINC000886270748 1125663955 /nfs/dbraw/zinc/66/39/55/1125663955.db2.gz LWILSPZMZCTUNR-OWOJBTEDSA-N 0 1 290.313 3.633 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1CC[C@@H](C)[C@@H]1C ZINC000248369446 1125664771 /nfs/dbraw/zinc/66/47/71/1125664771.db2.gz WGWONPBOWPWCQN-VWYCJHECSA-N 0 1 277.393 3.589 20 0 CHADMN Cc1ccc(CN2C[C@H](C)[C@H]2c2ccccc2)c(C)n1 ZINC000248548009 1125667187 /nfs/dbraw/zinc/66/71/87/1125667187.db2.gz GMNKHKOYONGREM-UGSOOPFHSA-N 0 1 266.388 3.891 20 0 CHADMN CO[C@H](C)c1nc(CN2C[C@H](C)[C@@H]3CCCC[C@H]32)cs1 ZINC000248424619 1125669354 /nfs/dbraw/zinc/66/93/54/1125669354.db2.gz NPBRFJGFRPUABN-MYZSUADSSA-N 0 1 294.464 3.861 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N[C@H](C)c2nccnc2C)c1 ZINC000219077536 1125670162 /nfs/dbraw/zinc/67/01/62/1125670162.db2.gz DIEHDLWWPWVTQN-UKRRQHHQSA-N 0 1 269.392 3.814 20 0 CHADMN c1csc([C@H]2CSCCN2C[C@@H]2CC=CCC2)n1 ZINC000248721218 1125674685 /nfs/dbraw/zinc/67/46/85/1125674685.db2.gz OMOXWPLDIQHXJL-CHWSQXEVSA-N 0 1 280.462 3.589 20 0 CHADMN CC(C)[C@@H](NCc1ccccc1Cl)c1cnn(C)c1 ZINC000886487765 1125680580 /nfs/dbraw/zinc/68/05/80/1125680580.db2.gz TUVINNNMYNHOFU-OAHLLOKOSA-N 0 1 277.799 3.560 20 0 CHADMN CCOC(=O)c1csc([C@@H]2CCCN2C[C@H](C)CC)n1 ZINC000248880750 1125676407 /nfs/dbraw/zinc/67/64/07/1125676407.db2.gz PEKWAEAEVBSNGW-YPMHNXCESA-N 0 1 296.436 3.503 20 0 CHADMN Clc1cccc2ccc(CN3CCC[C@@H]4C[C@@H]43)nc12 ZINC001137228731 1125676825 /nfs/dbraw/zinc/67/68/25/1125676825.db2.gz RJWMSMKRUPNOGV-DOMZBBRYSA-N 0 1 272.779 3.873 20 0 CHADMN CN(Cc1nccn1C)CC1CCC(C(C)(C)C)CC1 ZINC000348385738 1125680204 /nfs/dbraw/zinc/68/02/04/1125680204.db2.gz NIQONUBFNYJCFK-UHFFFAOYSA-N 0 1 277.456 3.704 20 0 CHADMN CC(C)Oc1ccc(CN[C@@H]2CCc3cccnc32)cc1 ZINC000886501605 1125681438 /nfs/dbraw/zinc/68/14/38/1125681438.db2.gz QUDQHRVVJXDUDS-QGZVFWFLSA-N 0 1 282.387 3.646 20 0 CHADMN C[C@H]1CCN(Cc2cscn2)[C@H]1c1ccccc1 ZINC000886545026 1125689196 /nfs/dbraw/zinc/68/91/96/1125689196.db2.gz FSEKLAAORWTTBY-SWLSCSKDSA-N 0 1 258.390 3.726 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3c4cc(F)ccc4[nH]c32)on1 ZINC000886522917 1125684001 /nfs/dbraw/zinc/68/40/01/1125684001.db2.gz SYPCGTQYIDFPLO-MRXNPFEDSA-N 0 1 299.349 3.771 20 0 CHADMN FC(F)n1ccnc1CN1CCC[C@@H]1C1CCCCC1 ZINC000076749311 1125684638 /nfs/dbraw/zinc/68/46/38/1125684638.db2.gz PCMGPRAHHDCXQZ-CYBMUJFWSA-N 0 1 283.366 3.823 20 0 CHADMN Cc1conc1CN1CC[C@H](C)[C@H]1c1ccccc1 ZINC000886541199 1125686710 /nfs/dbraw/zinc/68/67/10/1125686710.db2.gz RRGUIWAYDMZMSW-LRDDRELGSA-N 0 1 256.349 3.566 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccsc2)C1 ZINC000629376072 1125686988 /nfs/dbraw/zinc/68/69/88/1125686988.db2.gz QTOWHANWWBFUTI-BTBCPRSTSA-N 0 1 279.405 3.552 20 0 CHADMN CCc1nc(C)c(CN[C@H](CC)c2ccc(OC)cc2)o1 ZINC000292019361 1125692788 /nfs/dbraw/zinc/69/27/88/1125692788.db2.gz ZPSZHUMGOHINIH-OAHLLOKOSA-N 0 1 288.391 3.795 20 0 CHADMN CC[C@@H](C)C[C@@H](CC)NCc1nccc(C(F)F)n1 ZINC000287195095 1125699820 /nfs/dbraw/zinc/69/98/20/1125699820.db2.gz WBBXWIREDLEZAI-GHMZBOCLSA-N 0 1 271.355 3.719 20 0 CHADMN Cc1nc(C2CCN(C/C(Cl)=C\Cl)CC2)[nH]c1C ZINC000886664070 1125705701 /nfs/dbraw/zinc/70/57/01/1125705701.db2.gz ASHYSKQMZVOOTH-KPKJPENVSA-N 0 1 288.222 3.525 20 0 CHADMN CC(C)OC(=O)C1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000886721495 1125712653 /nfs/dbraw/zinc/71/26/53/1125712653.db2.gz AAAVPYJQYDHKQJ-CYBMUJFWSA-N 0 1 293.382 3.550 20 0 CHADMN CCc1ccc(CN[C@H]2CCc3c2cccc3F)nc1 ZINC000886924126 1125726405 /nfs/dbraw/zinc/72/64/05/1125726405.db2.gz KOXBRUZHDNOWME-KRWDZBQOSA-N 0 1 270.351 3.560 20 0 CHADMN COCCCCCSc1nnc(CCC2CCCC2)[nH]1 ZINC000116611489 1125731076 /nfs/dbraw/zinc/73/10/76/1125731076.db2.gz YPTUFXQKOPPEGB-UHFFFAOYSA-N 0 1 297.468 3.836 20 0 CHADMN COCCCCCSc1nc(CCC2CCCC2)n[nH]1 ZINC000116611489 1125731080 /nfs/dbraw/zinc/73/10/80/1125731080.db2.gz YPTUFXQKOPPEGB-UHFFFAOYSA-N 0 1 297.468 3.836 20 0 CHADMN CCN(Cc1nc2ccc(F)cc2o1)Cc1ccccc1 ZINC000162040775 1125734069 /nfs/dbraw/zinc/73/40/69/1125734069.db2.gz MACCACBEAWLWNY-UHFFFAOYSA-N 0 1 284.334 3.989 20 0 CHADMN Cc1ccccc1[C@@H]1CN(Cc2cccc(N)c2)[C@H](C)CO1 ZINC000261674400 1125737002 /nfs/dbraw/zinc/73/70/02/1125737002.db2.gz KTHGBMKEBXLCLI-BEFAXECRSA-N 0 1 296.414 3.539 20 0 CHADMN Cc1ccoc1CN[C@@H](C)c1sc(C)nc1C ZINC000135159894 1125739131 /nfs/dbraw/zinc/73/91/31/1125739131.db2.gz HVGWMSGWRWSEQU-VIFPVBQESA-N 0 1 250.367 3.512 20 0 CHADMN CC[C@H](CN[C@@H](C)c1nccs1)Oc1cccc(C)c1 ZINC000090218707 1125741188 /nfs/dbraw/zinc/74/11/88/1125741188.db2.gz WQWIFGKXQOEYNI-UONOGXRCSA-N 0 1 290.432 3.960 20 0 CHADMN Nc1ncc(CN2CCC[C@H]2c2ccccc2Cl)s1 ZINC000261713039 1125741723 /nfs/dbraw/zinc/74/17/23/1125741723.db2.gz DYVZEOHNBFYPEG-ZDUSSCGKSA-N 0 1 293.823 3.716 20 0 CHADMN Cc1ccc(Cl)c(NC(=O)Cc2n[nH]c3ccccc32)c1 ZINC000162239650 1125745553 /nfs/dbraw/zinc/74/55/53/1125745553.db2.gz DOPNKNPRUMDVGG-UHFFFAOYSA-N 0 1 299.761 3.706 20 0 CHADMN CN(CCSc1ccc(F)cc1F)CCC(F)(F)F ZINC001118557986 1131231705 /nfs/dbraw/zinc/23/17/05/1131231705.db2.gz ULVIONJUEHQNET-UHFFFAOYSA-N 0 1 299.308 3.941 20 0 CHADMN c1c[nH]c([C@H]2CCCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000092730007 1125761823 /nfs/dbraw/zinc/76/18/23/1125761823.db2.gz PJDOVQXBIQYYKO-MRXNPFEDSA-N 0 1 280.375 3.618 20 0 CHADMN c1c[nH]c([C@H]2CCCCN2Cc2cccc3[nH]ccc32)n1 ZINC000092730007 1125761827 /nfs/dbraw/zinc/76/18/27/1125761827.db2.gz PJDOVQXBIQYYKO-MRXNPFEDSA-N 0 1 280.375 3.618 20 0 CHADMN CC(=O)Nc1ccccc1CN1CCCc2ccccc2C1 ZINC000093085200 1125765117 /nfs/dbraw/zinc/76/51/17/1125765117.db2.gz BQHNMKKSYBRRRF-UHFFFAOYSA-N 0 1 294.398 3.593 20 0 CHADMN Clc1cnc2oc(CNc3cc4c(cn3)CCC4)cc2c1 ZINC000648598692 1125766962 /nfs/dbraw/zinc/76/69/62/1125766962.db2.gz WWTOIIBYQYOOBN-UHFFFAOYSA-N 0 1 299.761 3.977 20 0 CHADMN CCc1nocc1CN1CCC(Nc2cccc(C)c2)CC1 ZINC000508719176 1125780744 /nfs/dbraw/zinc/78/07/44/1125780744.db2.gz NVPGXEGHJAEQIQ-UHFFFAOYSA-N 0 1 299.418 3.622 20 0 CHADMN FC(F)(F)c1cccc(OC2CN(CC3CCC3)C2)c1 ZINC001202739216 1125782655 /nfs/dbraw/zinc/78/26/55/1125782655.db2.gz DCOUNCJURGHSHX-UHFFFAOYSA-N 0 1 285.309 3.569 20 0 CHADMN COC(=O)c1ccc([C@H]2CCCCN2Cc2ccc[nH]2)cc1 ZINC001204013584 1125788402 /nfs/dbraw/zinc/78/84/02/1125788402.db2.gz WGUPZNIMFPKYRB-QGZVFWFLSA-N 0 1 298.386 3.529 20 0 CHADMN Nc1c(F)cccc1CN(CCC(F)(F)F)CC1CC1 ZINC000638170690 1129247346 /nfs/dbraw/zinc/24/73/46/1129247346.db2.gz MLCKHWYHPIWLLU-UHFFFAOYSA-N 0 1 290.304 3.572 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](c2nnc[nH]2)C2CCCCC2)o1 ZINC000638286868 1129252942 /nfs/dbraw/zinc/25/29/42/1129252942.db2.gz RUGPDODCDNNHNV-IUODEOHRSA-N 0 1 288.395 3.678 20 0 CHADMN CC(C)[C@@H](N[C@@H](c1nccn1C)C1CC1)c1ccccc1 ZINC000638319751 1129253703 /nfs/dbraw/zinc/25/37/03/1129253703.db2.gz ZOFRBPDJWAUILP-IAGOWNOFSA-N 0 1 283.419 3.858 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CC[C@H](OC(C)C)C1 ZINC001238700583 1131233675 /nfs/dbraw/zinc/23/36/75/1131233675.db2.gz TXBJNYFYFYMYED-INIZCTEOSA-N 0 1 295.398 3.612 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CCC[C@@H](C)C1 ZINC001238699257 1131233814 /nfs/dbraw/zinc/23/38/14/1131233814.db2.gz YKPHGRZEPMTRES-CYBMUJFWSA-N 0 1 265.372 3.845 20 0 CHADMN CSC1CCN(Cc2ccc(F)cc2OC(C)C)CC1 ZINC001238702139 1131234129 /nfs/dbraw/zinc/23/41/29/1131234129.db2.gz KBRKWLZJZRBWRC-UHFFFAOYSA-N 0 1 297.439 3.940 20 0 CHADMN Cc1scc(CN(C)Cc2cnccc2C)c1C ZINC000639125591 1129284526 /nfs/dbraw/zinc/28/45/26/1129284526.db2.gz XKTPBSOVBYYVLM-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN CC(C)c1cnc(CN2CCCC[C@@H]2C(C)C)o1 ZINC000735311766 1129339936 /nfs/dbraw/zinc/33/99/36/1129339936.db2.gz RLVRHHQRMILJGY-CYBMUJFWSA-N 0 1 250.386 3.809 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2)CCO1 ZINC000642094559 1129405478 /nfs/dbraw/zinc/40/54/78/1129405478.db2.gz BVGYQYVIFBWIKG-MRXNPFEDSA-N 0 1 261.409 3.595 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001238699387 1131234545 /nfs/dbraw/zinc/23/45/45/1131234545.db2.gz LCEDNARJPFDVHS-QEJZJMRPSA-N 0 1 281.346 3.545 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647299773 1129566279 /nfs/dbraw/zinc/56/62/79/1129566279.db2.gz DXLGSASDIAGFQD-GHMZBOCLSA-N 0 1 289.345 3.601 20 0 CHADMN CSC(C)(C)C[C@H](C)NC1(c2cccc(C)c2)COC1 ZINC001258323736 1129198130 /nfs/dbraw/zinc/19/81/30/1129198130.db2.gz HPTFUSNUYKBRCM-AWEZNQCLSA-N 0 1 293.476 3.730 20 0 CHADMN CC[C@@H](CC(=O)N(C)Cc1cn[nH]c1C)c1ccc(C)cc1 ZINC000636066652 1129198140 /nfs/dbraw/zinc/19/81/40/1129198140.db2.gz FIOBZQDBTNNJNM-HNNXBMFYSA-N 0 1 299.418 3.569 20 0 CHADMN Brc1cccnc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000384076000 1129833913 /nfs/dbraw/zinc/83/39/13/1129833913.db2.gz RSYFKKBXRGCORI-SMDDNHRTSA-N 0 1 295.224 3.609 20 0 CHADMN CCS[C@H]1CC[C@@H](N(C)Cc2coc(C3CC3)n2)C1 ZINC000769547987 1129916986 /nfs/dbraw/zinc/91/69/86/1129916986.db2.gz FTXHXYZHRLVOTK-KGLIPLIRSA-N 0 1 280.437 3.658 20 0 CHADMN CC(C)[C@H]1CCN(Cc2occc2Br)C1 ZINC000770308045 1129944518 /nfs/dbraw/zinc/94/45/18/1129944518.db2.gz XWUQOKFUDRSTDT-JTQLQIEISA-N 0 1 272.186 3.520 20 0 CHADMN CCC(O)(CC)CN[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000819196215 1131236624 /nfs/dbraw/zinc/23/66/24/1131236624.db2.gz DYRXLESOGVWFFT-SFHVURJKSA-N 0 1 298.430 3.620 20 0 CHADMN CCCC[C@H](C(=O)Nc1cc(CN(C)C)ccn1)C(C)C ZINC000621901960 1129205403 /nfs/dbraw/zinc/20/54/03/1129205403.db2.gz QLZUFSGHINUHKW-HNNXBMFYSA-N 0 1 291.439 3.544 20 0 CHADMN CCOc1ccc(CNC(C)(C)c2ccc(F)cc2)nc1 ZINC000088506091 1129206694 /nfs/dbraw/zinc/20/66/94/1129206694.db2.gz KKOFSWATYAQATI-UHFFFAOYSA-N 0 1 288.366 3.644 20 0 CHADMN CCCn1c(C)nnc1CN1CCCC[C@H]1CCC(C)C ZINC000164172631 1129207187 /nfs/dbraw/zinc/20/71/87/1129207187.db2.gz AEFUWLQJFSZKDL-INIZCTEOSA-N 0 1 292.471 3.787 20 0 CHADMN FC(F)(F)Oc1ccc2c(c1)nccc2N1C[C@@H]2C[C@@H]2C1 ZINC000899876787 1126706664 /nfs/dbraw/zinc/70/66/64/1126706664.db2.gz OOWULSMGDQCWGN-AOOOYVTPSA-N 0 1 294.276 3.590 20 0 CHADMN Cc1cccc(NC(=O)CN[C@@H](C)c2cccs2)c1C ZINC000192868011 1126705958 /nfs/dbraw/zinc/70/59/58/1126705958.db2.gz MDDGEJUUFHQZHN-ZDUSSCGKSA-N 0 1 288.416 3.654 20 0 CHADMN CO[C@H](C)c1nc(CN[C@H]2CC[C@H]2C2CCC2)cs1 ZINC000337986182 1126706093 /nfs/dbraw/zinc/70/60/93/1126706093.db2.gz BCRJQCFNCPVMSN-SWHYSGLUSA-N 0 1 280.437 3.519 20 0 CHADMN C[C@H](Cc1ccccc1)CN1CCn2cccc2[C@H]1C ZINC000481708031 1126708247 /nfs/dbraw/zinc/70/82/47/1126708247.db2.gz RDHRLGLYJYFTRB-HZPDHXFCSA-N 0 1 268.404 3.744 20 0 CHADMN C[C@H](Cc1ccccc1)CN1CCn2cccc2[C@@H]1C ZINC000481708029 1126708408 /nfs/dbraw/zinc/70/84/08/1126708408.db2.gz RDHRLGLYJYFTRB-CVEARBPZSA-N 0 1 268.404 3.744 20 0 CHADMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1nccs1 ZINC000135089856 1126711662 /nfs/dbraw/zinc/71/16/62/1126711662.db2.gz UCBQDHVQLJGXAT-WCQYABFASA-N 0 1 276.380 3.660 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccncc1F ZINC000338024563 1126712628 /nfs/dbraw/zinc/71/26/28/1126712628.db2.gz UJAJZNDSOIRBII-ZBEGNZNMSA-N 0 1 286.350 3.567 20 0 CHADMN CC(C)(C)OCc1cc(CN[C@H]2CC[C@@H]2C2CCC2)no1 ZINC000338030118 1126713119 /nfs/dbraw/zinc/71/31/19/1126713119.db2.gz RAQRDIMCSZUQAW-CVEARBPZSA-N 0 1 292.423 3.658 20 0 CHADMN CC(C)CCOCC[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC001319501399 1126719122 /nfs/dbraw/zinc/71/91/22/1126719122.db2.gz ABKDMCPKPACASQ-UHFFFAOYSA-N 0 1 274.408 3.662 20 0 CHADMN CC[C@@H](NCc1ccccn1)c1ccc(C)c(F)c1 ZINC000093113650 1126724282 /nfs/dbraw/zinc/72/42/82/1126724282.db2.gz IDRFQBOMCOJRSO-MRXNPFEDSA-N 0 1 258.340 3.770 20 0 CHADMN CCS[C@@H]1CCC[C@H]1NCc1nc2ccc(F)cc2o1 ZINC000348471606 1126725089 /nfs/dbraw/zinc/72/50/89/1126725089.db2.gz VEKZVFOSRZCGAR-TZMCWYRMSA-N 0 1 294.395 3.731 20 0 CHADMN CCS[C@H]1CCC[C@H]1NCc1nc2ccc(F)cc2o1 ZINC000348471604 1126725098 /nfs/dbraw/zinc/72/50/98/1126725098.db2.gz VEKZVFOSRZCGAR-OCCSQVGLSA-N 0 1 294.395 3.731 20 0 CHADMN Cc1ccc2nc(CN[C@@H]3CCc4c3cccc4F)[nH]c2c1 ZINC000338235289 1126726263 /nfs/dbraw/zinc/72/62/63/1126726263.db2.gz ZLLJMOOHVNBWIO-OAHLLOKOSA-N 0 1 295.361 3.788 20 0 CHADMN COc1ccc(CN(C)Cc2ccc3ccccc3c2)nc1 ZINC000338264617 1126728729 /nfs/dbraw/zinc/72/87/29/1126728729.db2.gz VNWZOIZZJKTZOM-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@@H](CC(C)C)C2)s1 ZINC000338271916 1126729567 /nfs/dbraw/zinc/72/95/67/1126729567.db2.gz AHWQQMOYRAWWLF-YPMHNXCESA-N 0 1 267.442 3.666 20 0 CHADMN CCc1cnc(CN(C)C[C@@H]2CCCC(F)(F)C2)s1 ZINC000338311464 1126734220 /nfs/dbraw/zinc/73/42/20/1126734220.db2.gz DMBFJTVPICVSFG-LLVKDONJSA-N 0 1 288.407 3.963 20 0 CHADMN CC[C@@H]1CCC[N@H+]1Cc1ccc(O)c2nc(C)ccc12 ZINC000338304254 1126732587 /nfs/dbraw/zinc/73/25/87/1126732587.db2.gz IYHVDJWJMILQPT-CQSZACIVSA-N 0 1 270.376 3.623 20 0 CHADMN C[C@H](C1CCCCC1)N(C)C(=O)c1cccc2c[nH]nc21 ZINC000338334370 1126735082 /nfs/dbraw/zinc/73/50/82/1126735082.db2.gz XDBGKKPPEATGBL-GFCCVEGCSA-N 0 1 285.391 3.604 20 0 CHADMN CC(C)n1ccnc1CN(C)[C@@H](C)C1CCCCC1 ZINC000338337762 1126735287 /nfs/dbraw/zinc/73/52/87/1126735287.db2.gz BUMHOCCGVUTQBC-AWEZNQCLSA-N 0 1 263.429 3.865 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)nc1 ZINC000338350434 1126736898 /nfs/dbraw/zinc/73/68/98/1126736898.db2.gz PYPYFHZVUOIALM-CQSZACIVSA-N 0 1 298.352 3.945 20 0 CHADMN COc1c(Br)cccc1CN1[C@H](C)CC[C@H]1C ZINC000482003422 1126737210 /nfs/dbraw/zinc/73/72/10/1126737210.db2.gz FDNOQDGYFIROAI-GHMZBOCLSA-N 0 1 298.224 3.831 20 0 CHADMN COCC[C@@H](N[C@@H](C)c1ccncc1F)c1ccccc1 ZINC000338364652 1126737770 /nfs/dbraw/zinc/73/77/70/1126737770.db2.gz DQCRLHPDRMYNRG-SUMWQHHRSA-N 0 1 288.366 3.649 20 0 CHADMN C[C@H](C1CCCCC1)N(C)Cc1nncn1-c1ccccc1 ZINC000338360501 1126738066 /nfs/dbraw/zinc/73/80/66/1126738066.db2.gz XZNUALKFRLJCLU-OAHLLOKOSA-N 0 1 298.434 3.668 20 0 CHADMN Cc1cccc(C)c1CN[C@H](C)c1ccncc1F ZINC000338362463 1126738405 /nfs/dbraw/zinc/73/84/05/1126738405.db2.gz ZRHPRNAKQJOEPT-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN CCOC1CC(N[C@H](c2ccco2)c2ccccc2)C1 ZINC000158128097 1126747264 /nfs/dbraw/zinc/74/72/64/1126747264.db2.gz AVKIPCGVRAAKTN-DQPZFDDXSA-N 0 1 271.360 3.526 20 0 CHADMN CCOc1ccc(-c2nc(CN(C)[C@@H](C)CC)co2)cc1 ZINC000158180282 1126749584 /nfs/dbraw/zinc/74/95/84/1126749584.db2.gz NXOGQQYEXVYRAH-ZDUSSCGKSA-N 0 1 288.391 3.971 20 0 CHADMN O=C([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001142660034 1126753402 /nfs/dbraw/zinc/75/34/02/1126753402.db2.gz BLFANZRQANAVOI-XHDPSFHLSA-N 0 1 293.794 3.803 20 0 CHADMN CCn1ccc(CN(C)Cc2cc3ccc(C)cc3[nH]2)c1 ZINC000668052438 1126757599 /nfs/dbraw/zinc/75/75/99/1126757599.db2.gz SFFDYXFOCKDHHW-UHFFFAOYSA-N 0 1 281.403 3.930 20 0 CHADMN CCN(CC1CCC1)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000483131878 1126769628 /nfs/dbraw/zinc/76/96/28/1126769628.db2.gz SKHOOBNNRUDXMA-LLVKDONJSA-N 0 1 265.401 3.550 20 0 CHADMN COCc1cccc(CNC2(c3cccc(F)c3)CC2)c1 ZINC000174420745 1126769789 /nfs/dbraw/zinc/76/97/89/1126769789.db2.gz CFXDVQQBNVXSSV-UHFFFAOYSA-N 0 1 285.362 3.751 20 0 CHADMN C[C@@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1ccc(F)cc1Cl ZINC000668199331 1126765925 /nfs/dbraw/zinc/76/59/25/1126765925.db2.gz QJZBPBSOFTVFOV-MURWCNHISA-N 0 1 283.774 3.697 20 0 CHADMN CC/C=C\CCN[C@@H](CO)c1c(Cl)cccc1Cl ZINC000483237416 1126774217 /nfs/dbraw/zinc/77/42/17/1126774217.db2.gz VSULBOAHZRZVSY-SCOBNMCVSA-N 0 1 288.218 3.973 20 0 CHADMN C[C@H](Cc1ccccc1Cl)NCc1nccc(Cl)n1 ZINC001170255197 1130474171 /nfs/dbraw/zinc/47/41/71/1130474171.db2.gz BYZUYXGDVVNHMC-SNVBAGLBSA-N 0 1 296.201 3.504 20 0 CHADMN Cc1ccccc1-c1nc(CNC[C@@H]2CCCC[C@H]2C)no1 ZINC000483305674 1126779617 /nfs/dbraw/zinc/77/96/17/1126779617.db2.gz FMYJLLQLSFYKQB-HIFRSBDPSA-N 0 1 299.418 3.961 20 0 CHADMN CC(C)CCc1noc(CN(CC2CC2)CC2CCC2)n1 ZINC000483265154 1126777048 /nfs/dbraw/zinc/77/70/48/1126777048.db2.gz HMYWKUPZWPEHMI-UHFFFAOYSA-N 0 1 291.439 3.670 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cc2cn(C(C)(C)C)nn2)CC1 ZINC000483271085 1126777742 /nfs/dbraw/zinc/77/77/42/1126777742.db2.gz RAFDMVZZKHFPKR-CQSZACIVSA-N 0 1 292.471 3.681 20 0 CHADMN CC[C@@H]1CCCN1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000483271656 1126777893 /nfs/dbraw/zinc/77/78/93/1126777893.db2.gz NVZNFQYYMHVLME-CYBMUJFWSA-N 0 1 289.354 3.559 20 0 CHADMN Cc1ncc(CN2CCCC[C@@H]2c2cccn2C)s1 ZINC000175114668 1126777956 /nfs/dbraw/zinc/77/79/56/1126777956.db2.gz DZNQSZSRPNFTFS-OAHLLOKOSA-N 0 1 275.421 3.517 20 0 CHADMN Cc1cnc([C@H](C)N2CC[C@@](C)(c3ccc(F)cc3)C2)o1 ZINC000483400468 1126784651 /nfs/dbraw/zinc/78/46/51/1126784651.db2.gz CGTQKRIUDWWPHN-SUMWQHHRSA-N 0 1 288.366 3.847 20 0 CHADMN Cc1noc([C@H](C)NC[C@@H](C)CC2CCCCC2)n1 ZINC000483347330 1126782683 /nfs/dbraw/zinc/78/26/83/1126782683.db2.gz UYBVPPCXHMCZIC-RYUDHWBXSA-N 0 1 265.401 3.635 20 0 CHADMN CC(C)N(Cc1cnc2n1CCC2)[C@@H](C)c1ccsc1 ZINC000668245050 1126785907 /nfs/dbraw/zinc/78/59/07/1126785907.db2.gz QZILQXLFQIOHET-ZDUSSCGKSA-N 0 1 289.448 3.862 20 0 CHADMN CC[C@@H](NCc1cnccc1C)c1ccccc1F ZINC000162671968 1126785961 /nfs/dbraw/zinc/78/59/61/1126785961.db2.gz YAPZJVMTJINENB-MRXNPFEDSA-N 0 1 258.340 3.770 20 0 CHADMN CCOC(=O)[C@H]1CCCN([C@H](C)c2cccc(Cl)c2)C1 ZINC000483492005 1126790105 /nfs/dbraw/zinc/79/01/05/1126790105.db2.gz NPEFMTPPHAMDBD-OCCSQVGLSA-N 0 1 295.810 3.676 20 0 CHADMN CC[C@@H]1C[C@H](C[N@H+]2CCc3cc(Cl)ccc3C2)CCO1 ZINC000483663853 1126796189 /nfs/dbraw/zinc/79/61/89/1126796189.db2.gz SUNKKUNDFFOJSA-CXAGYDPISA-N 0 1 293.838 3.903 20 0 CHADMN COc1ccccc1C[N@H+]1CCc2cc(C)ccc2C1 ZINC000483664609 1126796798 /nfs/dbraw/zinc/79/67/98/1126796798.db2.gz UPTUKVODQGMVRG-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN COc1ccccc1CN1CCc2cc(C)ccc2C1 ZINC000483664609 1126796802 /nfs/dbraw/zinc/79/68/02/1126796802.db2.gz UPTUKVODQGMVRG-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN FC(F)(F)CCN(Cc1ccnc(Cl)c1)CC1CC1 ZINC000177169792 1126798071 /nfs/dbraw/zinc/79/80/71/1126798071.db2.gz LAEIMRMSPVEPMM-UHFFFAOYSA-N 0 1 292.732 3.899 20 0 CHADMN COC[C@H](CC(C)C)N[C@@H](C)c1c(F)cccc1OC ZINC000483711047 1126798557 /nfs/dbraw/zinc/79/85/57/1126798557.db2.gz ITFMYDAKZJCBLJ-STQMWFEESA-N 0 1 283.387 3.546 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN(C)[C@H](C)C1(C)CC1 ZINC000177234135 1126798694 /nfs/dbraw/zinc/79/86/94/1126798694.db2.gz ZHQOBTLVFNPYKF-CQSZACIVSA-N 0 1 288.435 3.616 20 0 CHADMN CC(C)C[C@H]1CCCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000177392435 1126800499 /nfs/dbraw/zinc/80/04/99/1126800499.db2.gz VHQWPGVLPXCACU-CYBMUJFWSA-N 0 1 289.379 3.588 20 0 CHADMN CCc1ccc(CN[C@H]2CCc3cc(F)ccc32)o1 ZINC000177750648 1126804705 /nfs/dbraw/zinc/80/47/05/1126804705.db2.gz DNTUFCZZXMEVCN-INIZCTEOSA-N 0 1 259.324 3.758 20 0 CHADMN CC[C@@H]1CN(Cc2cc3ccncc3s2)[C@H](CC)CO1 ZINC000668283558 1126804977 /nfs/dbraw/zinc/80/49/77/1126804977.db2.gz SOCMNKVLPVOYGM-ZIAGYGMSSA-N 0 1 290.432 3.686 20 0 CHADMN CC[C@H]1CN(Cc2cc3ccncc3s2)[C@@H](CC)CO1 ZINC000668283555 1126805037 /nfs/dbraw/zinc/80/50/37/1126805037.db2.gz SOCMNKVLPVOYGM-KBPBESRZSA-N 0 1 290.432 3.686 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1Cc1nc2ccccc2n1C(F)F ZINC000177874877 1126806476 /nfs/dbraw/zinc/80/64/76/1126806476.db2.gz NBENCWBOSSYYLG-WDEREUQCSA-N 0 1 279.334 3.662 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1CC[C@@H](C)[C@@H]1C ZINC000177912917 1126807295 /nfs/dbraw/zinc/80/72/95/1126807295.db2.gz KYUFROJIOVFBTD-HIFRSBDPSA-N 0 1 288.435 3.787 20 0 CHADMN Cc1cnc(CN[C@@H]2CC(C)(C)c3ccccc32)s1 ZINC000177961180 1126808051 /nfs/dbraw/zinc/80/80/51/1126808051.db2.gz CRCPQCMYTAYREG-CQSZACIVSA-N 0 1 272.417 3.964 20 0 CHADMN c1cn2c(CN3C[C@@H]4CCCC[C@@H]43)c(C3CC3)nc2s1 ZINC000668299713 1126808932 /nfs/dbraw/zinc/80/89/32/1126808932.db2.gz QBSOMNJFCFWCCF-STQMWFEESA-N 0 1 287.432 3.648 20 0 CHADMN C[C@H](N[C@H]1CCOc2c(Cl)cccc21)c1cccnc1 ZINC000178314066 1126811322 /nfs/dbraw/zinc/81/13/22/1126811322.db2.gz JDXTZMXDKGSFMW-NHYWBVRUSA-N 0 1 288.778 3.909 20 0 CHADMN CC(C)C(=O)Nc1ccc(CN[C@H](C)c2ccco2)cc1 ZINC000178480686 1126814202 /nfs/dbraw/zinc/81/42/02/1126814202.db2.gz DMJQOUPBBGAYGT-CYBMUJFWSA-N 0 1 286.375 3.725 20 0 CHADMN CC1(C)CN(CCC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000484347241 1126815173 /nfs/dbraw/zinc/81/51/73/1126815173.db2.gz SZQASGBNZLBQKW-QMMMGPOBSA-N 0 1 277.252 3.849 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1CC(C)(C)c2ccccc21 ZINC000178630584 1126816934 /nfs/dbraw/zinc/81/69/34/1126816934.db2.gz XIJDJKQYILLRCX-MRXNPFEDSA-N 0 1 270.376 3.804 20 0 CHADMN CCOc1cccc(CN[C@@H](C)c2ccc(Cl)nc2)c1 ZINC000179106581 1126823116 /nfs/dbraw/zinc/82/31/16/1126823116.db2.gz KKCRLUVAMBUZIG-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccncc1 ZINC000179386404 1126827223 /nfs/dbraw/zinc/82/72/23/1126827223.db2.gz LQVFRRNSFMBLCD-JCGIZDLHSA-N 0 1 282.387 3.653 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1ccccc1F ZINC000179705399 1126832630 /nfs/dbraw/zinc/83/26/30/1126832630.db2.gz RLURPHDHXMIPBY-MRXNPFEDSA-N 0 1 258.340 3.804 20 0 CHADMN CC(C)n1cc(CN(Cc2cccc(O)c2)CC2CC2)cn1 ZINC000179718596 1126833021 /nfs/dbraw/zinc/83/30/21/1126833021.db2.gz VDVGSWKJSMQUME-UHFFFAOYSA-N 0 1 299.418 3.582 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1c(Cl)nc2ccccn21 ZINC000811520736 1130616065 /nfs/dbraw/zinc/61/60/65/1130616065.db2.gz UAHWLYOSCSFELO-GFCCVEGCSA-N 0 1 279.815 3.998 20 0 CHADMN Cc1ccc(CCN[C@H](c2nc(C3CC3)no2)C(C)C)cc1 ZINC000179835656 1126835230 /nfs/dbraw/zinc/83/52/30/1126835230.db2.gz VCAOJTBKCKVOHT-INIZCTEOSA-N 0 1 299.418 3.785 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)c1ccncc1)C1(Cl)CC1 ZINC000924796508 1126837974 /nfs/dbraw/zinc/83/79/74/1126837974.db2.gz DEKTWTZLMRYMNT-BBRMVZONSA-N 0 1 286.806 3.921 20 0 CHADMN Cc1c([C@H](C)Nc2cc(C)nc3ccc(F)cc32)cnn1C ZINC000180395180 1126844012 /nfs/dbraw/zinc/84/40/12/1126844012.db2.gz SVGVXYZHXSRTOL-NSHDSACASA-N 0 1 298.365 3.897 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2ccccc2C2CCC2)n1 ZINC000904500801 1126854247 /nfs/dbraw/zinc/85/42/47/1126854247.db2.gz QMVGYVBOQUABLE-AWEZNQCLSA-N 0 1 271.364 3.660 20 0 CHADMN CCC[N@@H+](CCCCC(=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000181549439 1126857778 /nfs/dbraw/zinc/85/77/78/1126857778.db2.gz BFKOPMAUNWYMLZ-QGZVFWFLSA-N 0 1 289.419 3.511 20 0 CHADMN CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000181550894 1126857876 /nfs/dbraw/zinc/85/78/76/1126857876.db2.gz DILSPRBDYIQMQO-SJORKVTESA-N 0 1 289.419 3.900 20 0 CHADMN CC(C)(C(=O)Nc1ccc(C2CCC2)cc1)c1cnc[nH]1 ZINC000621977590 1129211281 /nfs/dbraw/zinc/21/12/81/1129211281.db2.gz PTTZFYUFXVEXSF-UHFFFAOYSA-N 0 1 283.375 3.594 20 0 CHADMN C[C@@H](N[C@H](C)C(C)(C)c1ccccc1)c1nc(C2CC2)no1 ZINC000181774727 1126860535 /nfs/dbraw/zinc/86/05/35/1126860535.db2.gz WZCTYXKVWGCDPE-CHWSQXEVSA-N 0 1 299.418 3.964 20 0 CHADMN C/C=C(\CC)C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001133190771 1130671990 /nfs/dbraw/zinc/67/19/90/1130671990.db2.gz UETPQXDDGLSLEK-FPYGCLRLSA-N 0 1 263.728 3.511 20 0 CHADMN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000182157308 1126867608 /nfs/dbraw/zinc/86/76/08/1126867608.db2.gz CZSGORJYMKJCLW-DRZCJDIDSA-N 0 1 293.313 3.739 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2NCc1ccc(Cl)cn1 ZINC000182112871 1126866575 /nfs/dbraw/zinc/86/65/75/1126866575.db2.gz DRCBYNLPXFUTMN-OAHLLOKOSA-N 0 1 276.742 3.651 20 0 CHADMN CCN(C(=O)c1cccc2n[nH]cc21)[C@@H]1CCCC[C@@H]1C ZINC000066674867 1126862802 /nfs/dbraw/zinc/86/28/02/1126862802.db2.gz ORTZXNLFDFYCKG-BLLLJJGKSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1cccc([C@H](C)NCc2cccc(Cl)n2)c1 ZINC000812309166 1130682621 /nfs/dbraw/zinc/68/26/21/1130682621.db2.gz YSTYMWSETAFGHU-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN CN(C)Cc1ccc(-c2ccc([C@H]3C[C@@H](O)C3)cc2)cc1F ZINC000904761369 1126870450 /nfs/dbraw/zinc/87/04/50/1126870450.db2.gz ZEYQLBZCPDDKGJ-HDICACEKSA-N 0 1 299.389 3.793 20 0 CHADMN C[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccc2ccccc2c1 ZINC000182671882 1126875520 /nfs/dbraw/zinc/87/55/20/1126875520.db2.gz KGKJCUUAKQZAKU-GFCCVEGCSA-N 0 1 292.386 3.686 20 0 CHADMN CC(C)N(Cc1nc(-c2ccc(F)c(F)c2)no1)C(C)C ZINC000183053566 1126882086 /nfs/dbraw/zinc/88/20/86/1126882086.db2.gz BSAAAKHPKPFHBZ-UHFFFAOYSA-N 0 1 295.333 3.634 20 0 CHADMN COc1ccccc1[C@H](NCC1CCC1)c1ccccn1 ZINC000924802346 1126887579 /nfs/dbraw/zinc/88/75/79/1126887579.db2.gz LKWQOYGAJGLSHR-SFHVURJKSA-N 0 1 282.387 3.569 20 0 CHADMN Cc1sc(C)c2c1[nH]c([C@@H]1CC1(Cl)Cl)nc2=O ZINC000905030899 1126888107 /nfs/dbraw/zinc/88/81/07/1126888107.db2.gz ATEKMCJZTPGPBN-LURJTMIESA-N 0 1 289.187 3.675 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN(C(C)C)C2CC2)s1 ZINC000183569617 1126888723 /nfs/dbraw/zinc/88/87/23/1126888723.db2.gz HRVAZUBADKLVPR-UHFFFAOYSA-N 0 1 278.343 3.843 20 0 CHADMN CN(CCc1ccncc1)Cc1cccc(Cl)c1F ZINC000183754360 1126891735 /nfs/dbraw/zinc/89/17/35/1126891735.db2.gz IKFSTYIKDQHDOE-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN CC(=O)Nc1cccc(CN[C@@H](C)c2cc(C)oc2C)c1 ZINC000183794490 1126892130 /nfs/dbraw/zinc/89/21/30/1126892130.db2.gz ZVEYAYKHRJRGNI-LBPRGKRZSA-N 0 1 286.375 3.706 20 0 CHADMN CO[C@H](C)CSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000187115989 1126908651 /nfs/dbraw/zinc/90/86/51/1126908651.db2.gz SZHHEIAWUVFZLB-SNVBAGLBSA-N 0 1 262.378 3.512 20 0 CHADMN COCCC1CN(Cc2c(Cl)oc3ccccc32)C1 ZINC000668472544 1126912009 /nfs/dbraw/zinc/91/20/09/1126912009.db2.gz CBRQSMZDXVDSHX-UHFFFAOYSA-N 0 1 279.767 3.555 20 0 CHADMN CCc1ccc(C)nc1N[C@H](C)CC1CCOCC1 ZINC000668479537 1126913322 /nfs/dbraw/zinc/91/33/22/1126913322.db2.gz ZLINLVKWBIQVHR-CYBMUJFWSA-N 0 1 262.397 3.570 20 0 CHADMN CCN(Cc1cscn1)[C@H](C)Cc1ccsc1 ZINC000187787807 1126914488 /nfs/dbraw/zinc/91/44/88/1126914488.db2.gz JFHTVULOKREHHQ-LLVKDONJSA-N 0 1 266.435 3.658 20 0 CHADMN CCCOCc1ccccc1CN[C@@H](C)c1nccnc1C ZINC000187792976 1126914675 /nfs/dbraw/zinc/91/46/75/1126914675.db2.gz IPJGVJJPGXUNHZ-HNNXBMFYSA-N 0 1 299.418 3.562 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](c1nccn1C)C1CC1)CCC2 ZINC000187770562 1126915183 /nfs/dbraw/zinc/91/51/83/1126915183.db2.gz KYNDDFVHGISVJU-QZTJIDSGSA-N 0 1 295.430 3.847 20 0 CHADMN CC[C@@H](NCc1ccc(OC)c(O)c1)c1cccc(F)c1 ZINC000187921336 1126916442 /nfs/dbraw/zinc/91/64/42/1126916442.db2.gz QCRWLMVFDQKYEN-OAHLLOKOSA-N 0 1 289.350 3.781 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2cc(F)cc(F)c2)n1 ZINC000187983329 1126917384 /nfs/dbraw/zinc/91/73/84/1126917384.db2.gz ZZEMBPFRJJBRND-UHFFFAOYSA-N 0 1 283.347 3.673 20 0 CHADMN CC(C)(C)c1nc(SCc2cc(F)cc(F)c2)n[nH]1 ZINC000187983329 1126917385 /nfs/dbraw/zinc/91/73/85/1126917385.db2.gz ZZEMBPFRJJBRND-UHFFFAOYSA-N 0 1 283.347 3.673 20 0 CHADMN CCc1cnc(CN2CCC(C3CCC3)CC2)s1 ZINC000668494238 1126917958 /nfs/dbraw/zinc/91/79/58/1126917958.db2.gz YSBUCCJWXGRUDC-UHFFFAOYSA-N 0 1 264.438 3.718 20 0 CHADMN CC(C)C1(CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000188228596 1126921300 /nfs/dbraw/zinc/92/13/00/1126921300.db2.gz HPUJXIKUVNZAFD-HNNXBMFYSA-N 0 1 287.382 3.664 20 0 CHADMN O=C(/C=C/c1cccc(Cl)c1)c1ccc(O)cc1O ZINC000149051085 1126923505 /nfs/dbraw/zinc/92/35/05/1126923505.db2.gz WDFYNXTUDGMXOL-QPJJXVBHSA-N 0 1 274.703 3.647 20 0 CHADMN Cc1ccnc(N[C@H]2CCO[C@@H](C(C)C)C2)c1C1CC1 ZINC000668512553 1126924017 /nfs/dbraw/zinc/92/40/17/1126924017.db2.gz NXUVJAHNEZKGSR-LSDHHAIUSA-N 0 1 274.408 3.883 20 0 CHADMN Cc1ccnc(N[C@@H]2CCO[C@H](C(C)C)C2)c1C1CC1 ZINC000668512550 1126924316 /nfs/dbraw/zinc/92/43/16/1126924316.db2.gz NXUVJAHNEZKGSR-CABCVRRESA-N 0 1 274.408 3.883 20 0 CHADMN CO[C@H]1CCC[C@@H](Nc2nccc(C)c2C2CC2)C1 ZINC000668511840 1126924487 /nfs/dbraw/zinc/92/44/87/1126924487.db2.gz LLYNEKNNVMTNAC-KGLIPLIRSA-N 0 1 260.381 3.637 20 0 CHADMN CCOc1cc(CNc2nccc(C)c2C2CC2)ccc1O ZINC000668511071 1126924987 /nfs/dbraw/zinc/92/49/87/1126924987.db2.gz FFHTUUXFPOIJAE-UHFFFAOYSA-N 0 1 298.386 3.984 20 0 CHADMN CC1(CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)CCCC1 ZINC000188186562 1126920189 /nfs/dbraw/zinc/92/01/89/1126920189.db2.gz YGIJIKKEBBFCSM-OAHLLOKOSA-N 0 1 287.382 3.808 20 0 CHADMN C[C@H](N[C@@H]1CS[C@@H](C(C)(C)C)C1)c1cscn1 ZINC000668504062 1126920403 /nfs/dbraw/zinc/92/04/03/1126920403.db2.gz QOTCJPZMMCKVCS-JBLDHEPKSA-N 0 1 270.467 3.714 20 0 CHADMN c1ccc(-c2cnc(CN[C@@H]3CCC34CCCC4)nc2)cc1 ZINC000189221324 1126929523 /nfs/dbraw/zinc/92/95/23/1126929523.db2.gz FAQNZVNIIOTNJI-QGZVFWFLSA-N 0 1 293.414 3.956 20 0 CHADMN Cc1ccnc(CN2C[C@@H](C)C[C@H](C)C2)c1Cl ZINC001235589590 1130757035 /nfs/dbraw/zinc/75/70/35/1130757035.db2.gz WGUGJGHEGWADEG-QWRGUYRKSA-N 0 1 252.789 3.521 20 0 CHADMN CCOC[C@@H](N[C@H](C)c1nc2ccccc2o1)C(C)C ZINC000189794975 1126935380 /nfs/dbraw/zinc/93/53/80/1126935380.db2.gz XFIBJHRWMYMVEP-TZMCWYRMSA-N 0 1 276.380 3.540 20 0 CHADMN Cc1cncc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c1 ZINC000189753877 1126933597 /nfs/dbraw/zinc/93/35/97/1126933597.db2.gz BBBGVXWKZWQNBD-UHFFFAOYSA-N 0 1 292.329 3.623 20 0 CHADMN Cc1cncc(CN(C)Cc2ccc(OC(F)F)cc2)c1 ZINC000189753877 1126933601 /nfs/dbraw/zinc/93/36/01/1126933601.db2.gz BBBGVXWKZWQNBD-UHFFFAOYSA-N 0 1 292.329 3.623 20 0 CHADMN Fc1c(Cl)cccc1-c1cnc([C@H]2CCCCN2)nc1 ZINC000906207560 1126938558 /nfs/dbraw/zinc/93/85/58/1126938558.db2.gz VWHNSICUEDZGEO-CYBMUJFWSA-N 0 1 291.757 3.751 20 0 CHADMN CC1=CCC[C@@H](C)[C@@H]1CN(C)Cc1nccn1C(F)F ZINC000191049682 1126947352 /nfs/dbraw/zinc/94/73/52/1126947352.db2.gz NNPGQPNBHUFWIO-CHWSQXEVSA-N 0 1 283.366 3.702 20 0 CHADMN Cc1nc([C@H](C)NCC(C)(C)C(C)(F)F)cs1 ZINC000829236662 1126951509 /nfs/dbraw/zinc/95/15/09/1126951509.db2.gz LGXIIPFUTJWMOB-QMMMGPOBSA-N 0 1 262.369 3.784 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1ccoc1)CCS2 ZINC000191499805 1126952883 /nfs/dbraw/zinc/95/28/83/1126952883.db2.gz OJVRVEUROBUQSQ-AWEZNQCLSA-N 0 1 275.373 3.615 20 0 CHADMN CCCC[C@@H](C)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000191602505 1126953903 /nfs/dbraw/zinc/95/39/03/1126953903.db2.gz MHJAXODJXWNELA-ZIAGYGMSSA-N 0 1 287.407 3.890 20 0 CHADMN C[C@H](c1ccc(C(F)(F)F)cc1)N1CCO[C@H](C2CC2)C1 ZINC000485824545 1126956273 /nfs/dbraw/zinc/95/62/73/1126956273.db2.gz ZNMISOAOEPANJI-ABAIWWIYSA-N 0 1 299.336 3.877 20 0 CHADMN CC(C)(CNCc1cocn1)c1cccc(Cl)c1F ZINC000192344763 1126961166 /nfs/dbraw/zinc/96/11/66/1126961166.db2.gz CRRULBTYRJZRBK-UHFFFAOYSA-N 0 1 282.746 3.535 20 0 CHADMN CCC(C)(C)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000192484176 1126962188 /nfs/dbraw/zinc/96/21/88/1126962188.db2.gz QNQXQWJXPXCDIX-UHFFFAOYSA-N 0 1 275.352 3.661 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C(C3CC3)C3CC3)c2C)o1 ZINC000192487316 1126962217 /nfs/dbraw/zinc/96/22/17/1126962217.db2.gz AOCODFRVRIZJPZ-UHFFFAOYSA-N 0 1 299.374 3.661 20 0 CHADMN Cc1cc(=O)[nH]c([C@H](C)N[C@@H](c2ccccc2)C2CCC2)n1 ZINC000192665625 1126963170 /nfs/dbraw/zinc/96/31/70/1126963170.db2.gz SHGOLDCFZVDTAE-GUYCJALGSA-N 0 1 297.402 3.683 20 0 CHADMN C[C@@H](NCc1ccccc1OC1CCCC1)c1ccnn1C ZINC000192696921 1126963321 /nfs/dbraw/zinc/96/33/21/1126963321.db2.gz HDWKRDGQTPUYBW-CQSZACIVSA-N 0 1 299.418 3.592 20 0 CHADMN CCC[C@H](N[C@@H](C)c1ccnn1C)c1ccc(F)cc1F ZINC000192955506 1126965252 /nfs/dbraw/zinc/96/52/52/1126965252.db2.gz GJTXEVFRGGQUCC-NHYWBVRUSA-N 0 1 293.361 3.890 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN[C@H](C)c1ccnn1C ZINC000193334991 1126968506 /nfs/dbraw/zinc/96/85/06/1126968506.db2.gz QVTBTXRRIFYMLG-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN CCc1nc[nH]c1C(=O)Nc1c(C)cccc1C(C)C ZINC000906894740 1126968918 /nfs/dbraw/zinc/96/89/18/1126968918.db2.gz MFFHHECXTRESSZ-UHFFFAOYSA-N 0 1 271.364 3.656 20 0 CHADMN CSc1ccnc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235993629 1130824046 /nfs/dbraw/zinc/82/40/46/1130824046.db2.gz NQQWCMDEHHIWED-UHFFFAOYSA-N 0 1 271.263 3.593 20 0 CHADMN FCC[C@H]1CCCN(Cc2cscc2Cl)C1 ZINC000668593519 1126973469 /nfs/dbraw/zinc/97/34/69/1126973469.db2.gz ZYZQVGFUXPBHES-SNVBAGLBSA-N 0 1 261.793 3.973 20 0 CHADMN Cc1nc(F)ccc1CN1CC2(CCC2)[C@H]1C(C)C ZINC000814171857 1130833854 /nfs/dbraw/zinc/83/38/54/1130833854.db2.gz WVWOBLWAKYLYRU-OAHLLOKOSA-N 0 1 262.372 3.540 20 0 CHADMN CC(C)c1nnc(CN2CC[C@H](Cc3ccccc3)[C@@H]2C)o1 ZINC000266903240 1126989658 /nfs/dbraw/zinc/98/96/58/1126989658.db2.gz ADWHGUJFWMOWBJ-GOEBONIOSA-N 0 1 299.418 3.646 20 0 CHADMN Cc1cc(C(=O)CN(C)C[C@@H](C)c2ccccc2)c(C)[nH]1 ZINC000066853829 1126990015 /nfs/dbraw/zinc/99/00/15/1126990015.db2.gz KHRVLSYJLXTXRK-CYBMUJFWSA-N 0 1 284.403 3.550 20 0 CHADMN CO[C@@H](CNCc1csc(-c2ccsc2)n1)C(C)C ZINC000266627383 1126986134 /nfs/dbraw/zinc/98/61/34/1126986134.db2.gz NYJBFKVDZPQYGZ-ZDUSSCGKSA-N 0 1 296.461 3.632 20 0 CHADMN CC[C@H](NCCC(F)(F)F)c1ccc(F)cc1F ZINC000266666670 1126986737 /nfs/dbraw/zinc/98/67/37/1126986737.db2.gz YGEWVIQVPRZQEP-NSHDSACASA-N 0 1 267.241 3.958 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccccc2OC)c1C ZINC000658355329 1126993022 /nfs/dbraw/zinc/99/30/22/1126993022.db2.gz YVLSFSUWNOGQCV-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN FC(F)(F)c1ccc(CN2CC[C@H]3C[C@H]3C2)s1 ZINC000668677799 1127000135 /nfs/dbraw/zinc/00/01/35/1127000135.db2.gz XRVKVKLQQDJMLG-IUCAKERBSA-N 0 1 261.312 3.609 20 0 CHADMN C[C@H](N[C@H](c1nccn1C)c1ccc(Cl)cc1)C1CC1 ZINC000267269719 1126996434 /nfs/dbraw/zinc/99/64/34/1126996434.db2.gz RXQLGKHLGZBWPL-NHYWBVRUSA-N 0 1 289.810 3.551 20 0 CHADMN Cn1cncc1CN(Cc1ccc2ccccc2c1)C1CC1 ZINC000267596446 1127002953 /nfs/dbraw/zinc/00/29/53/1127002953.db2.gz KPPLETCRANURNO-UHFFFAOYSA-N 0 1 291.398 3.738 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1occc1C(=O)OC ZINC000486814624 1127004803 /nfs/dbraw/zinc/00/48/03/1127004803.db2.gz USNYTNSAUWPQJK-CYBMUJFWSA-N 0 1 279.380 3.611 20 0 CHADMN C[C@@H](c1ccco1)N(C[C@H](O)c1ccccc1F)C1CC1 ZINC000267906145 1127007910 /nfs/dbraw/zinc/00/79/10/1127007910.db2.gz AWMYBMXSUMCGDH-LRDDRELGSA-N 0 1 289.350 3.678 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)NC/C=C\c1ccncc1 ZINC000486988559 1127014993 /nfs/dbraw/zinc/01/49/93/1127014993.db2.gz JJRPQPXOCBNLJA-DHCBQETCSA-N 0 1 286.350 3.593 20 0 CHADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)CC1(C)CCCC1 ZINC000569763289 1127024979 /nfs/dbraw/zinc/02/49/79/1127024979.db2.gz WLUCFMJUMPKOLS-UHFFFAOYSA-N 0 1 291.439 3.636 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2cc(Cl)cs2)n[nH]1 ZINC000487159763 1127020243 /nfs/dbraw/zinc/02/02/43/1127020243.db2.gz NQUAOQVUDDFALF-RKDXNWHRSA-N 0 1 298.843 3.884 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)o1 ZINC000268720463 1127021831 /nfs/dbraw/zinc/02/18/31/1127021831.db2.gz KPXSEKQIGGVWJO-STQMWFEESA-N 0 1 298.386 3.519 20 0 CHADMN C[C@@H](NCc1ccc(N2CCCCC2)nc1)c1ccco1 ZINC000268757657 1127022775 /nfs/dbraw/zinc/02/27/75/1127022775.db2.gz FREUDWCINZTHTQ-CQSZACIVSA-N 0 1 285.391 3.516 20 0 CHADMN COc1cccc([C@H](C)N[C@@H](C)c2cnc(C)nc2C)c1 ZINC000268826337 1127025301 /nfs/dbraw/zinc/02/53/01/1127025301.db2.gz ZDXNBVLGERKAOO-RYUDHWBXSA-N 0 1 285.391 3.514 20 0 CHADMN Cn1ccnc1CN[C@H]1CCCc2c3ccccc3sc21 ZINC000268869979 1127026392 /nfs/dbraw/zinc/02/63/92/1127026392.db2.gz LEOZYLOQYXAQDM-AWEZNQCLSA-N 0 1 297.427 3.802 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2cnn(C)c2C)o1 ZINC000268867939 1127026692 /nfs/dbraw/zinc/02/66/92/1127026692.db2.gz AHVCCGZOZHDLLD-BLLLJJGKSA-N 0 1 287.407 3.603 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000569818525 1127028564 /nfs/dbraw/zinc/02/85/64/1127028564.db2.gz SQAIRIPQEIBDCY-AWEZNQCLSA-N 0 1 279.380 3.551 20 0 CHADMN Cc1ccn2cc(CN[C@H]3CCCc4sccc43)nc2c1 ZINC000268944624 1127029888 /nfs/dbraw/zinc/02/98/88/1127029888.db2.gz WEMRCBLOONSNSN-HNNXBMFYSA-N 0 1 297.427 3.871 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccc(F)cn2)cc1 ZINC000269049846 1127033603 /nfs/dbraw/zinc/03/36/03/1127033603.db2.gz ZKOUZNRENRVTMG-LBPRGKRZSA-N 0 1 258.340 3.634 20 0 CHADMN CC=CC(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1 ZINC000909709497 1127035037 /nfs/dbraw/zinc/03/50/37/1127035037.db2.gz UNNBVZGWCAVKQQ-RQOWECAXSA-N 0 1 285.322 3.608 20 0 CHADMN C[C@@H](NCCc1cscn1)c1ncc(-c2ccccc2)o1 ZINC000268950462 1127030255 /nfs/dbraw/zinc/03/02/55/1127030255.db2.gz HXKTVOFWPZAAPK-GFCCVEGCSA-N 0 1 299.399 3.691 20 0 CHADMN CC[C@H](C)CCC(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000796955636 1130948397 /nfs/dbraw/zinc/94/83/97/1130948397.db2.gz ZRMIMMWGAQVPRF-LBPRGKRZSA-N 0 1 280.387 3.652 20 0 CHADMN C[C@@H](NC[C@@](C)(O)c1ccsc1)c1c(F)cccc1F ZINC000268988765 1127031798 /nfs/dbraw/zinc/03/17/98/1127031798.db2.gz LWQARDLWXRDWFE-MEBBXXQBSA-N 0 1 297.370 3.585 20 0 CHADMN C[C@H](NC[C@](C)(O)c1ccsc1)c1c(F)cccc1F ZINC000268988763 1127032049 /nfs/dbraw/zinc/03/20/49/1127032049.db2.gz LWQARDLWXRDWFE-BONVTDFDSA-N 0 1 297.370 3.585 20 0 CHADMN C[C@H](NCc1ccc(F)cc1F)c1ccc2c(c1)COC2 ZINC000269020552 1127032531 /nfs/dbraw/zinc/03/25/31/1127032531.db2.gz PSIPSXJCFVGTNJ-NSHDSACASA-N 0 1 289.325 3.846 20 0 CHADMN CC1(C)Cc2occc2[C@H](N[C@H]2c3ccccc3C[C@@H]2O)C1 ZINC000269026369 1127032673 /nfs/dbraw/zinc/03/26/73/1127032673.db2.gz CQEPZFYKDQJFPN-RYRKJORJSA-N 0 1 297.398 3.541 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(Cl)s1 ZINC000269132481 1127035752 /nfs/dbraw/zinc/03/57/52/1127035752.db2.gz ZVBAPHUEVVJDSU-TURKWSHLSA-N 0 1 293.819 3.710 20 0 CHADMN Cc1[nH]ncc1CNc1ccccc1OC1CCCC1 ZINC000269322230 1127037577 /nfs/dbraw/zinc/03/75/77/1127037577.db2.gz QBBKGQPOPVLRIO-UHFFFAOYSA-N 0 1 271.364 3.652 20 0 CHADMN Cc1cc(C)cc(CNCc2cccnc2OC(C)C)c1 ZINC000042295516 1127037965 /nfs/dbraw/zinc/03/79/65/1127037965.db2.gz IASSZQZLNSDSBG-UHFFFAOYSA-N 0 1 284.403 3.775 20 0 CHADMN COc1ccccc1[C@@H](NC[C@@H](C)C1CC1)c1ccccn1 ZINC000924828211 1127043860 /nfs/dbraw/zinc/04/38/60/1127043860.db2.gz NDGTWAHUVCIUCZ-AUUYWEPGSA-N 0 1 296.414 3.815 20 0 CHADMN C[C@H](C1CC1)N(Cc1nccs1)Cc1ccccc1 ZINC000269684948 1127044458 /nfs/dbraw/zinc/04/44/58/1127044458.db2.gz UYYRWRHYRVJXQZ-CYBMUJFWSA-N 0 1 272.417 3.944 20 0 CHADMN CC(C)c1nc(CN(C)c2cccc(O)c2)c2ccccn21 ZINC000668801802 1127044611 /nfs/dbraw/zinc/04/46/11/1127044611.db2.gz AFDIPXQNHVORON-UHFFFAOYSA-N 0 1 295.386 3.800 20 0 CHADMN CCn1nccc1CNCc1ccc(OC2CCCC2)cc1 ZINC000269850926 1127045983 /nfs/dbraw/zinc/04/59/83/1127045983.db2.gz FXPSAFDCHISJIK-UHFFFAOYSA-N 0 1 299.418 3.514 20 0 CHADMN Fc1ccc(F)c2c1CC[C@H]2NCc1cccs1 ZINC000269884612 1127047674 /nfs/dbraw/zinc/04/76/74/1127047674.db2.gz ZSOPXTZJVALFFH-CYBMUJFWSA-N 0 1 265.328 3.803 20 0 CHADMN Cc1nc(CNC2(c3ccccc3)CCCC2)[nH]c1C ZINC000569941027 1127052943 /nfs/dbraw/zinc/05/29/43/1127052943.db2.gz GVDPSVBHIWXUIZ-UHFFFAOYSA-N 0 1 269.392 3.586 20 0 CHADMN CCC(C)(C)N(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000270356095 1127054064 /nfs/dbraw/zinc/05/40/64/1127054064.db2.gz WWARIWCXLMSKCD-UHFFFAOYSA-N 0 1 277.412 3.718 20 0 CHADMN COc1cc(C)nc(CN(C)[C@@H](C)c2ccccc2)c1 ZINC000270203713 1127051697 /nfs/dbraw/zinc/05/16/97/1127051697.db2.gz CRNCUVSYVVRDIH-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN COc1cc(C)nc(CN(C)[C@H](C)c2ccccc2)c1 ZINC000270203715 1127051785 /nfs/dbraw/zinc/05/17/85/1127051785.db2.gz CRNCUVSYVVRDIH-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN Cc1[nH+]c(N[C@@H](C)CCCC(F)(F)F)ccc1C(=O)[O-] ZINC000910305464 1127055121 /nfs/dbraw/zinc/05/51/21/1127055121.db2.gz IWCJIIYHPGUTIU-QMMMGPOBSA-N 0 1 290.285 3.621 20 0 CHADMN Cc1cc(Cl)cc(CN2CCC[C@@](C)(F)CC2)n1 ZINC001236639729 1130986200 /nfs/dbraw/zinc/98/62/00/1130986200.db2.gz LVAVIMWTOBDZBO-CQSZACIVSA-N 0 1 270.779 3.758 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000270668250 1127059590 /nfs/dbraw/zinc/05/95/90/1127059590.db2.gz WWAIZEPGEJSIHQ-CZUORRHYSA-N 0 1 282.387 3.930 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1ncc(C2CC2)o1 ZINC000270668250 1127059593 /nfs/dbraw/zinc/05/95/93/1127059593.db2.gz WWAIZEPGEJSIHQ-CZUORRHYSA-N 0 1 282.387 3.930 20 0 CHADMN COc1ccc(Cl)cc1CN1CCSC[C@H](C)C1 ZINC000488166969 1127059651 /nfs/dbraw/zinc/05/96/51/1127059651.db2.gz UYSQRGGUAGNAMA-LLVKDONJSA-N 0 1 285.840 3.534 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)C[C@H](O)c2cccs2)cs1 ZINC000270631600 1127059772 /nfs/dbraw/zinc/05/97/72/1127059772.db2.gz MINOHOWZHWRDIV-NRUUGDAUSA-N 0 1 296.461 3.676 20 0 CHADMN CC[N@@H+](CCc1cccs1)[C@H](C)c1nc(C2CC2)no1 ZINC000270673256 1127060505 /nfs/dbraw/zinc/06/05/05/1127060505.db2.gz AUQWZOINIPVCFC-LLVKDONJSA-N 0 1 291.420 3.634 20 0 CHADMN CCN(CCc1cccs1)[C@H](C)c1nc(C2CC2)no1 ZINC000270673256 1127060507 /nfs/dbraw/zinc/06/05/07/1127060507.db2.gz AUQWZOINIPVCFC-LLVKDONJSA-N 0 1 291.420 3.634 20 0 CHADMN Cc1nn(C)cc1C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000271023369 1127064665 /nfs/dbraw/zinc/06/46/65/1127064665.db2.gz CTIASWKFHUTDBG-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN Cc1nn(C)cc1CN(C)Cc1ccc2ccccc2c1 ZINC000271023369 1127064669 /nfs/dbraw/zinc/06/46/69/1127064669.db2.gz CTIASWKFHUTDBG-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN CC(=O)Nc1ccccc1CN(C)Cc1cccc(C)c1 ZINC000271031983 1127065977 /nfs/dbraw/zinc/06/59/77/1127065977.db2.gz CZUOKJBVWSGXTG-UHFFFAOYSA-N 0 1 282.387 3.585 20 0 CHADMN COc1cc(CN[C@H](C)c2ccnn2C2CCC2)ccc1C ZINC000924832491 1127066211 /nfs/dbraw/zinc/06/62/11/1127066211.db2.gz SJSYULGUXDGLTG-CQSZACIVSA-N 0 1 299.418 3.776 20 0 CHADMN Cc1nc(CSc2c(Cl)cccc2Cl)n[nH]1 ZINC000488258102 1127066250 /nfs/dbraw/zinc/06/62/50/1127066250.db2.gz DNNQWLGYHSNRMF-UHFFFAOYSA-N 0 1 274.176 3.712 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cnc3cnccn23)c(C)c1 ZINC000271045257 1127066306 /nfs/dbraw/zinc/06/63/06/1127066306.db2.gz LODBVOBZJRMISB-HNNXBMFYSA-N 0 1 294.402 3.539 20 0 CHADMN COCCN(Cc1scnc1C)[C@@H](C)c1ccccc1 ZINC000271067442 1127066769 /nfs/dbraw/zinc/06/67/69/1127066769.db2.gz KLWHZEBBCIEYGP-AWEZNQCLSA-N 0 1 290.432 3.661 20 0 CHADMN C[C@@H](NCCc1ccccc1Cl)c1cscn1 ZINC000271125143 1127069648 /nfs/dbraw/zinc/06/96/48/1127069648.db2.gz KMBKVZKYUSVHHV-SNVBAGLBSA-N 0 1 266.797 3.690 20 0 CHADMN Cc1cc(N[C@@H]2CCO[C@H](C)C2)c2cc(F)ccc2n1 ZINC000271216688 1127073430 /nfs/dbraw/zinc/07/34/30/1127073430.db2.gz BHCFRPSJYWZWEI-DGCLKSJQSA-N 0 1 274.339 3.662 20 0 CHADMN CCc1nc([C@@H](C)N(CC)Cc2ccc(Cl)cc2)n[nH]1 ZINC000659857907 1127071570 /nfs/dbraw/zinc/07/15/70/1127071570.db2.gz AKWUOGJPOIBLGO-LLVKDONJSA-N 0 1 292.814 3.604 20 0 CHADMN C[C@@H]1[C@H](C)SCCN1Cc1cc2ccc(F)cc2[nH]1 ZINC000488305309 1127071854 /nfs/dbraw/zinc/07/18/54/1127071854.db2.gz ZTKLLIVWXNIUKS-MNOVXSKESA-N 0 1 278.396 3.633 20 0 CHADMN COCc1ccc(CN2CC=C(C(F)(F)F)CC2)cc1 ZINC000271190668 1127071912 /nfs/dbraw/zinc/07/19/12/1127071912.db2.gz LODUBXCRGBHJKG-UHFFFAOYSA-N 0 1 285.309 3.527 20 0 CHADMN CCN(CCCN[C@H](C)c1cscn1)c1ccccc1 ZINC000271195411 1127072051 /nfs/dbraw/zinc/07/20/51/1127072051.db2.gz YFYHYBLHKTUNEL-CQSZACIVSA-N 0 1 289.448 3.710 20 0 CHADMN Cc1cc(N[C@H]2CCO[C@@H](C)C2)c2cc(F)ccc2n1 ZINC000271216685 1127073633 /nfs/dbraw/zinc/07/36/33/1127073633.db2.gz BHCFRPSJYWZWEI-AAEUAGOBSA-N 0 1 274.339 3.662 20 0 CHADMN CCCCSCCC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000271333028 1127076038 /nfs/dbraw/zinc/07/60/38/1127076038.db2.gz ZGJKFANYOCLXRZ-UHFFFAOYSA-N 0 1 291.367 3.518 20 0 CHADMN Cc1c(F)ccc(CN2CCC[C@]23CCOC3)c1Cl ZINC001236719883 1130999848 /nfs/dbraw/zinc/99/98/48/1130999848.db2.gz VEDQLJHTTSMVQA-OAHLLOKOSA-N 0 1 283.774 3.542 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000271406908 1127078688 /nfs/dbraw/zinc/07/86/88/1127078688.db2.gz AANKMUORWACEDM-QWHCGFSZSA-N 0 1 272.396 3.648 20 0 CHADMN CC[C@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1ccccc1 ZINC000271411500 1127079552 /nfs/dbraw/zinc/07/95/52/1127079552.db2.gz ASQODJUKSKTVEL-JSGCOSHPSA-N 0 1 272.396 3.730 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000271418496 1127079666 /nfs/dbraw/zinc/07/96/66/1127079666.db2.gz BFGJEKCYGCTWIX-BZNIZROVSA-N 0 1 293.769 3.863 20 0 CHADMN C[C@H](CN[C@@H](C)c1cscn1)Oc1cccc(Cl)c1 ZINC000271440758 1127081587 /nfs/dbraw/zinc/08/15/87/1127081587.db2.gz DGSJPVYCOCLRSF-MNOVXSKESA-N 0 1 296.823 3.915 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000271451740 1127082422 /nfs/dbraw/zinc/08/24/22/1127082422.db2.gz GJFAXLXWDOKMRK-STQMWFEESA-N 0 1 286.423 3.902 20 0 CHADMN Cc1cc(CN)oc1C(=O)Nc1ccccc1C(C)(C)C ZINC000911645848 1127084354 /nfs/dbraw/zinc/08/43/54/1127084354.db2.gz HRVOJXAZBHCPMD-UHFFFAOYSA-N 0 1 286.375 3.597 20 0 CHADMN COc1cc(CN2CCC[C@@](C)(F)CC2)c(F)cc1F ZINC001236818342 1131014416 /nfs/dbraw/zinc/01/44/16/1131014416.db2.gz SXWMFBNBGGQXPE-OAHLLOKOSA-N 0 1 287.325 3.688 20 0 CHADMN CC1(C)C[C@H](NCc2c(F)cc(F)cc2F)C(C)(C)O1 ZINC000815649846 1131016567 /nfs/dbraw/zinc/01/65/67/1131016567.db2.gz ADLGXIPFNNPAMW-ZDUSSCGKSA-N 0 1 287.325 3.540 20 0 CHADMN CCc1cccc2c1OCC[C@@H]2N[C@@H](C)c1ccncc1 ZINC000271490689 1127086066 /nfs/dbraw/zinc/08/60/66/1127086066.db2.gz OWVCQKYCABTKBZ-GUYCJALGSA-N 0 1 282.387 3.818 20 0 CHADMN COc1ccc(F)cc1[C@H](C)N[C@@H](C)c1cnccc1C ZINC000271498289 1127086381 /nfs/dbraw/zinc/08/63/81/1127086381.db2.gz GIQAUSAEQGBPNQ-STQMWFEESA-N 0 1 288.366 3.950 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1noc(-c2ccsc2)n1 ZINC000271500357 1127086686 /nfs/dbraw/zinc/08/66/86/1127086686.db2.gz IZYKICBMWYMOBE-JQWIXIFHSA-N 0 1 277.393 3.561 20 0 CHADMN CCC[C@@H](N[C@H](C)c1n[nH]c(CC)n1)c1ccccc1 ZINC000271497683 1127086745 /nfs/dbraw/zinc/08/67/45/1127086745.db2.gz LSHLIAZSTGKEIC-TZMCWYRMSA-N 0 1 272.396 3.559 20 0 CHADMN Cc1cc(C(F)F)oc1-c1nc([C@H](N)CC(C)C)no1 ZINC000634555643 1127087216 /nfs/dbraw/zinc/08/72/16/1127087216.db2.gz PSPJFICDWWMWSE-MRVPVSSYSA-N 0 1 285.294 3.622 20 0 CHADMN Cc1cc([C@@H](N[C@@H](C)c2cnccn2)C2CC2)ccc1F ZINC000271502309 1127087514 /nfs/dbraw/zinc/08/75/14/1127087514.db2.gz MFSQZUBTUZWJFZ-SJCJKPOMSA-N 0 1 285.366 3.726 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1ccccc1Cl ZINC000271501284 1127087619 /nfs/dbraw/zinc/08/76/19/1127087619.db2.gz OAPCLDHAXCKTDY-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN COC[C@@H](N[C@H](C)c1ccc2c(c1)COC2)c1ccccc1 ZINC000271527067 1127088310 /nfs/dbraw/zinc/08/83/10/1127088310.db2.gz VYGQBMCPOGLWDN-AUUYWEPGSA-N 0 1 297.398 3.755 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](C)c2ccc(C(C)C)cc2)n[nH]1 ZINC000271520635 1127088442 /nfs/dbraw/zinc/08/84/42/1127088442.db2.gz OIVSGGDQCIGFQF-QWHCGFSZSA-N 0 1 286.423 3.902 20 0 CHADMN COC[C@H](N[C@@H](C)c1ccc2c(c1)COC2)c1ccccc1 ZINC000271527090 1127088493 /nfs/dbraw/zinc/08/84/93/1127088493.db2.gz VYGQBMCPOGLWDN-LIRRHRJNSA-N 0 1 297.398 3.755 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)s1 ZINC000271534095 1127089721 /nfs/dbraw/zinc/08/97/21/1127089721.db2.gz PYUPWCXOEDYKKB-QWRGUYRKSA-N 0 1 278.425 3.710 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2ccc(F)c(C)c2)c(C)n1 ZINC000271539911 1127090170 /nfs/dbraw/zinc/09/01/70/1127090170.db2.gz UBJVEWLWYBNOCW-NEPJUHHUSA-N 0 1 287.382 3.953 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@H](C)c2ccc3c(c2)CCC3)n[nH]1 ZINC000271550799 1127090816 /nfs/dbraw/zinc/09/08/16/1127090816.db2.gz RZFVEFNCPVWQDT-CHWSQXEVSA-N 0 1 298.434 3.829 20 0 CHADMN CC[C@H](CN[C@@H](C)c1cscn1)Oc1cccc(C)c1 ZINC000271564998 1127091606 /nfs/dbraw/zinc/09/16/06/1127091606.db2.gz YGLLERJTBPNSQL-UONOGXRCSA-N 0 1 290.432 3.960 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](C)c2cn[nH]c2)ccc1SC ZINC000271597685 1127093833 /nfs/dbraw/zinc/09/38/33/1127093833.db2.gz ZDDSNPYXEZAZFC-MNOVXSKESA-N 0 1 291.420 3.552 20 0 CHADMN COC1(C)CCN(c2cc(C)nc3ccc(F)cc32)CC1 ZINC000271601508 1127094394 /nfs/dbraw/zinc/09/43/94/1127094394.db2.gz ARNSBUCSAPUWIW-UHFFFAOYSA-N 0 1 288.366 3.688 20 0 CHADMN CCc1noc(C)c1CN[C@H](C)c1ccc(F)cc1 ZINC000271673038 1127096963 /nfs/dbraw/zinc/09/69/63/1127096963.db2.gz IKTUAFYPMUZDTL-SNVBAGLBSA-N 0 1 262.328 3.535 20 0 CHADMN C[C@@H](C(=O)Nc1cccc(C(F)F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000274169976 1127109729 /nfs/dbraw/zinc/10/97/29/1127109729.db2.gz HACDDSFWWGQZHQ-TUAOUCFPSA-N 0 1 296.361 3.824 20 0 CHADMN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc(F)c1O ZINC001274623196 1127111759 /nfs/dbraw/zinc/11/17/59/1127111759.db2.gz HEKMRKPCJGSSRX-RYUDHWBXSA-N 0 1 293.382 3.818 20 0 CHADMN COCc1ccc(CN2Cc3ccc(C)cc3C2)cc1 ZINC000339148182 1127115984 /nfs/dbraw/zinc/11/59/84/1127115984.db2.gz MIXHFVXAMUXBGE-UHFFFAOYSA-N 0 1 267.372 3.657 20 0 CHADMN CCn1ccnc1[C@H]1CCCCN1Cc1ccccc1C ZINC000339155885 1127116572 /nfs/dbraw/zinc/11/65/72/1127116572.db2.gz QRSPHHRZDAJGIP-QGZVFWFLSA-N 0 1 283.419 3.939 20 0 CHADMN CSCCCN(C)Cc1cccc(F)c1Cl ZINC000339156842 1127117080 /nfs/dbraw/zinc/11/70/80/1127117080.db2.gz HWCHYBKLIXPBRY-UHFFFAOYSA-N 0 1 261.793 3.664 20 0 CHADMN c1csc(CNCc2conc2Cc2ccccc2)c1 ZINC000339171573 1127117806 /nfs/dbraw/zinc/11/78/06/1127117806.db2.gz KUXDYJNFVFCHIL-UHFFFAOYSA-N 0 1 284.384 3.617 20 0 CHADMN CC(C)[C@H](C)N(Cc1nc(Cl)cs1)C1CC1 ZINC000876522746 1127126673 /nfs/dbraw/zinc/12/66/73/1127126673.db2.gz ATIJIRNWMLOEII-VIFPVBQESA-N 0 1 258.818 3.805 20 0 CHADMN CCCc1[nH]ncc1C(=O)Nc1cc(SC)ccc1C ZINC001320691045 1127126877 /nfs/dbraw/zinc/12/68/77/1127126877.db2.gz MJCAWSQIAAJWPL-UHFFFAOYSA-N 0 1 289.404 3.645 20 0 CHADMN C[C@@H](OC(=O)c1cc(-c2ccco2)n[nH]1)c1ccccc1 ZINC000913298416 1127127831 /nfs/dbraw/zinc/12/78/31/1127127831.db2.gz KPHFIYZBKHCUPZ-LLVKDONJSA-N 0 1 282.299 3.588 20 0 CHADMN COc1ccc(CN2CCC=C(c3ccco3)C2)c(OC)c1 ZINC000348666683 1127124757 /nfs/dbraw/zinc/12/47/57/1127124757.db2.gz BPOAEEGYAMPHPN-UHFFFAOYSA-N 0 1 299.370 3.586 20 0 CHADMN CCN(Cc1cc2c(cccc2F)[nH]1)Cc1ccncc1 ZINC000348898589 1127133058 /nfs/dbraw/zinc/13/30/58/1127133058.db2.gz YEAPCTXKJQADMP-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN CCN(Cc1coc2ccccc12)Cc1ccncc1 ZINC000348903845 1127133539 /nfs/dbraw/zinc/13/35/39/1127133539.db2.gz ICXXMDRHTAFITI-UHFFFAOYSA-N 0 1 266.344 3.850 20 0 CHADMN CCN(Cc1ccncc1)Cc1ccc(F)c(Cl)c1 ZINC000348896320 1127133711 /nfs/dbraw/zinc/13/37/11/1127133711.db2.gz TVMXQVAMBNVDOL-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@@H]2c2ccncc2)c1 ZINC000348904092 1127133824 /nfs/dbraw/zinc/13/38/24/1127133824.db2.gz KODKWROXMVDCQZ-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)[C@@H]2CCCC[C@H]2C)[nH]1 ZINC000283477634 1127140080 /nfs/dbraw/zinc/14/00/80/1127140080.db2.gz MWROOWBVMWZQBS-IAQYHMDHSA-N 0 1 285.391 3.522 20 0 CHADMN c1oc2ccccc2c1CN(Cc1cccnc1)C1CC1 ZINC000349252498 1127145361 /nfs/dbraw/zinc/14/53/61/1127145361.db2.gz UECJPCTVTRLOSY-UHFFFAOYSA-N 0 1 278.355 3.992 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccsc1)c1ccc(Cl)s1 ZINC000349344654 1127147841 /nfs/dbraw/zinc/14/78/41/1127147841.db2.gz STAHINWTALCFQL-PSASIEDQSA-N 0 1 287.837 3.847 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCCN(c3ccc(C)cc3)C2)no1 ZINC000283691649 1127152003 /nfs/dbraw/zinc/15/20/03/1127152003.db2.gz AHYFTHSUWFRNLK-HZPDHXFCSA-N 0 1 299.418 3.611 20 0 CHADMN Cc1ccsc1CN[C@H](c1ccccc1)c1cncnc1 ZINC000349501076 1127152526 /nfs/dbraw/zinc/15/25/26/1127152526.db2.gz QDKZZOFKDFJLKI-QGZVFWFLSA-N 0 1 295.411 3.726 20 0 CHADMN Cc1cc(-c2noc([C@@H]3C[C@@H]3C(C)C)n2)cc2nc[nH]c21 ZINC000570968512 1127151142 /nfs/dbraw/zinc/15/11/42/1127151142.db2.gz GAPKTLVZWWMSHH-VXGBXAGGSA-N 0 1 282.347 3.681 20 0 CHADMN COC[C@H](CN([C@@H](C)c1ccccc1Cl)C1CC1)OC ZINC000659874614 1127157068 /nfs/dbraw/zinc/15/70/68/1127157068.db2.gz SIKJBCYCNIRIIY-JSGCOSHPSA-N 0 1 297.826 3.527 20 0 CHADMN Cc1ccc2nc(CN[C@@H]3C[C@H](C)c4ccccc43)cn2c1 ZINC000283867407 1127161037 /nfs/dbraw/zinc/16/10/37/1127161037.db2.gz IMHOYBFIAXUTEK-KBXCAEBGSA-N 0 1 291.398 3.981 20 0 CHADMN CCOc1cccc(CN(Cc2ccccc2)C2CC2)n1 ZINC000349798856 1127161595 /nfs/dbraw/zinc/16/15/95/1127161595.db2.gz HVIUPVBACQBWDO-UHFFFAOYSA-N 0 1 282.387 3.645 20 0 CHADMN CC(C)[N@@H+](Cc1ccco1)Cc1ccc(F)c(F)c1 ZINC000349834395 1127163874 /nfs/dbraw/zinc/16/38/74/1127163874.db2.gz XBNUBRBWAWYJEQ-UHFFFAOYSA-N 0 1 265.303 3.968 20 0 CHADMN CC(C)N(Cc1ccco1)Cc1ccc(F)c(F)c1 ZINC000349834395 1127163877 /nfs/dbraw/zinc/16/38/77/1127163877.db2.gz XBNUBRBWAWYJEQ-UHFFFAOYSA-N 0 1 265.303 3.968 20 0 CHADMN CCCCCc1cc(C(=O)N2CCC[C@H]3CCC[C@@H]32)n[nH]1 ZINC000669226798 1127165070 /nfs/dbraw/zinc/16/50/70/1127165070.db2.gz VUAUEORSJINPTB-CJNGLKHVSA-N 0 1 289.423 3.547 20 0 CHADMN Cc1cc([C@@H](C)NCCCc2c[nH]c3ccccc23)no1 ZINC000283955864 1127166951 /nfs/dbraw/zinc/16/69/51/1127166951.db2.gz FXROBNSKYZRMBH-CYBMUJFWSA-N 0 1 283.375 3.748 20 0 CHADMN CC[C@H](N[C@@H](C)c1snnc1C)c1ccccc1 ZINC000930187811 1127167198 /nfs/dbraw/zinc/16/71/98/1127167198.db2.gz HFMODYWEINVYAT-GWCFXTLKSA-N 0 1 261.394 3.648 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2cnc(Cl)s2)C1 ZINC000164577747 1127171883 /nfs/dbraw/zinc/17/18/83/1127171883.db2.gz HEYYGQYWVHFIDG-VIFPVBQESA-N 0 1 258.818 3.665 20 0 CHADMN Cc1cc([C@H](C)NCCc2ccc(Cl)cc2)no1 ZINC000284093424 1127173308 /nfs/dbraw/zinc/17/33/08/1127173308.db2.gz MLCJIRJAULCMBZ-NSHDSACASA-N 0 1 264.756 3.530 20 0 CHADMN Cc1nccc(N2CCC(OCC(C)C)CC2)c1Cl ZINC000350285124 1127176431 /nfs/dbraw/zinc/17/64/31/1127176431.db2.gz DZLAYJLEOVHGOR-UHFFFAOYSA-N 0 1 282.815 3.685 20 0 CHADMN Cc1nccc(N(C)Cc2cccs2)c1Cl ZINC000350292661 1127175859 /nfs/dbraw/zinc/17/58/59/1127175859.db2.gz YYLHMPJZYCIOIB-UHFFFAOYSA-N 0 1 252.770 3.741 20 0 CHADMN Cc1cc([C@H](C)NCC(C)(C)c2ccccc2F)no1 ZINC000284162523 1127177465 /nfs/dbraw/zinc/17/74/65/1127177465.db2.gz PWIBVOTZOOEGCC-LBPRGKRZSA-N 0 1 276.355 3.751 20 0 CHADMN Cc1nccc(NCc2cc(-c3ccccc3)no2)c1Cl ZINC000350312655 1127177673 /nfs/dbraw/zinc/17/76/73/1127177673.db2.gz SLFUQHULQONCOL-UHFFFAOYSA-N 0 1 299.761 3.732 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2c(C)nsc2C)cc1 ZINC000571819079 1127178317 /nfs/dbraw/zinc/17/83/17/1127178317.db2.gz ZYQOWBHPVZBLSV-LBPRGKRZSA-N 0 1 290.432 3.962 20 0 CHADMN c1c(CN2CCC3(CCCCC3)CC2)nc2ccccn12 ZINC000588236258 1127182877 /nfs/dbraw/zinc/18/28/77/1127182877.db2.gz SCQYWQPVJUIZTB-UHFFFAOYSA-N 0 1 283.419 3.881 20 0 CHADMN Cc1ccnc(CN2CCC[C@@H](c3ccc(F)cc3)CC2)n1 ZINC000351262467 1127187379 /nfs/dbraw/zinc/18/73/79/1127187379.db2.gz YDBLNOMLBLGEKL-OAHLLOKOSA-N 0 1 299.393 3.694 20 0 CHADMN CCCCc1nc(CN([C@@H](C)CO)C2CCCC2)cs1 ZINC000351497009 1127189608 /nfs/dbraw/zinc/18/96/08/1127189608.db2.gz VIQLYFHIILEJFP-ZDUSSCGKSA-N 0 1 296.480 3.611 20 0 CHADMN CC(C)Cn1ccnc1NCc1cc(F)cc2cccnc21 ZINC000351543920 1127192273 /nfs/dbraw/zinc/19/22/73/1127192273.db2.gz HHPJBHGGSHYHDI-UHFFFAOYSA-N 0 1 298.365 3.839 20 0 CHADMN Cc1ccsc1CNc1nccn1Cc1ccccc1 ZINC000351551673 1127193089 /nfs/dbraw/zinc/19/30/89/1127193089.db2.gz ZXGKIPUMZWOEEX-UHFFFAOYSA-N 0 1 283.400 3.913 20 0 CHADMN c1csc(CNc2nccn2Cc2ccccc2)c1 ZINC000351551068 1127193142 /nfs/dbraw/zinc/19/31/42/1127193142.db2.gz RLIAVEQKGSRGLB-UHFFFAOYSA-N 0 1 269.373 3.605 20 0 CHADMN Cc1ccc(F)cc1CNc1nccn1CC(C)C ZINC000351569623 1127193864 /nfs/dbraw/zinc/19/38/64/1127193864.db2.gz SJBNWZUSQZUPLY-UHFFFAOYSA-N 0 1 261.344 3.599 20 0 CHADMN CCc1nc(CNc2nccn2-c2ccccc2)cs1 ZINC000351570437 1127194175 /nfs/dbraw/zinc/19/41/75/1127194175.db2.gz VPXLSZVLCFASQK-UHFFFAOYSA-N 0 1 284.388 3.503 20 0 CHADMN CSCc1cnc(CN2C[C@H]3CCCC[C@@H]3C2)s1 ZINC000351601532 1127197231 /nfs/dbraw/zinc/19/72/31/1127197231.db2.gz IAJUCBGDLRUTEW-VXGBXAGGSA-N 0 1 282.478 3.628 20 0 CHADMN CCN(Cc1cn(C)nc1C)Cc1ccc2ccccc2c1 ZINC000351607935 1127198129 /nfs/dbraw/zinc/19/81/29/1127198129.db2.gz NRSMDCMQYWQMIZ-UHFFFAOYSA-N 0 1 293.414 3.904 20 0 CHADMN C[C@@H]1SCCN(Cc2cccc(OC(C)(C)C)n2)[C@H]1C ZINC000351685539 1127203719 /nfs/dbraw/zinc/20/37/19/1127203719.db2.gz NHNHLXCIXSLIRL-STQMWFEESA-N 0 1 294.464 3.585 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N2CCC(C)(C)CC2)cc1F ZINC000588905070 1127203793 /nfs/dbraw/zinc/20/37/93/1127203793.db2.gz WURZDDLXXWXBBH-CYBMUJFWSA-N 0 1 292.398 3.583 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC(C)(C)CC2)c1 ZINC000588905001 1127203920 /nfs/dbraw/zinc/20/39/20/1127203920.db2.gz RCGFTSFKVLOIQJ-HNNXBMFYSA-N 0 1 288.435 3.752 20 0 CHADMN CCc1ccc(-c2noc(CN(C)CC(C)(C)C)n2)cc1 ZINC000588902214 1127203973 /nfs/dbraw/zinc/20/39/73/1127203973.db2.gz GUWOFGVKDMBSGE-UHFFFAOYSA-N 0 1 287.407 3.777 20 0 CHADMN Cc1ccc(NC(=O)CN(C)CC(C)(C)C)cc1Cl ZINC000588902656 1127204257 /nfs/dbraw/zinc/20/42/57/1127204257.db2.gz QQELLZWXSXWMKY-UHFFFAOYSA-N 0 1 282.815 3.565 20 0 CHADMN COc1ccccc1[C@H](CC(C)C)NCc1cnc(C)nc1 ZINC000351723280 1127205630 /nfs/dbraw/zinc/20/56/30/1127205630.db2.gz YWRRUBLZHXUYBQ-KRWDZBQOSA-N 0 1 299.418 3.671 20 0 CHADMN CC(C)c1nnc(CN2CC[C@H](C)[C@@H]3CCCC[C@@H]32)o1 ZINC000588935829 1127207578 /nfs/dbraw/zinc/20/75/78/1127207578.db2.gz ZFWFCRIIZWVIRC-IHRRRGAJSA-N 0 1 277.412 3.594 20 0 CHADMN CN(Cc1cc(-c2cccc(Cl)c2)no1)C1CC1 ZINC001237764615 1131139311 /nfs/dbraw/zinc/13/93/11/1131139311.db2.gz CUJOKWYUHRMOGC-UHFFFAOYSA-N 0 1 262.740 3.589 20 0 CHADMN C[C@H](F)CCN(Cc1ccc(F)cc1F)C1CC1 ZINC000351860525 1127212231 /nfs/dbraw/zinc/21/22/31/1127212231.db2.gz LYWZVCVXIOIMSP-JTQLQIEISA-N 0 1 257.299 3.677 20 0 CHADMN Cc1ccc(CNCc2nc3ccccc3nc2C)cc1 ZINC000589149950 1127214574 /nfs/dbraw/zinc/21/45/74/1127214574.db2.gz SMGLVHBUOWVEHJ-UHFFFAOYSA-N 0 1 277.371 3.536 20 0 CHADMN CCN(CC)[C@H](c1nc(-c2ccco2)no1)c1ccccc1 ZINC000285021544 1127215195 /nfs/dbraw/zinc/21/51/95/1127215195.db2.gz HQIYAQYBOKKSHQ-HNNXBMFYSA-N 0 1 297.358 3.761 20 0 CHADMN CC[C@H]1CCCCN1Cc1ccc(OC)nc1Cl ZINC001237797813 1131141322 /nfs/dbraw/zinc/14/13/22/1131141322.db2.gz RQPJIHFOFPNOCY-LBPRGKRZSA-N 0 1 268.788 3.508 20 0 CHADMN CSc1ccc(CCN[C@@H](C)c2cc(C)on2)cc1 ZINC000285159785 1127218670 /nfs/dbraw/zinc/21/86/70/1127218670.db2.gz MNSFAXYPZXGTEH-LBPRGKRZSA-N 0 1 276.405 3.598 20 0 CHADMN CC(C)=CCN(C)[C@]1(c2ccccc2)CCCCC1=O ZINC000572742961 1127225351 /nfs/dbraw/zinc/22/53/51/1127225351.db2.gz ZDDGFZFRDNDISS-SFHVURJKSA-N 0 1 271.404 3.923 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000572601301 1127221541 /nfs/dbraw/zinc/22/15/41/1127221541.db2.gz DIJHEKBUMZVYAP-JFGNBEQYSA-N 0 1 299.773 3.583 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccc(C)cc2C)[nH]n1 ZINC001116437066 1131145108 /nfs/dbraw/zinc/14/51/08/1131145108.db2.gz FQFPEFKIMBZSPM-AWEZNQCLSA-N 0 1 257.381 3.528 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccc(C)cc2C)n[nH]1 ZINC001116437066 1131145111 /nfs/dbraw/zinc/14/51/11/1131145111.db2.gz FQFPEFKIMBZSPM-AWEZNQCLSA-N 0 1 257.381 3.528 20 0 CHADMN CC/C=C\CCN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000466807490 1127224791 /nfs/dbraw/zinc/22/47/91/1127224791.db2.gz SJEFKSGPBDPEMI-XHRFTGCISA-N 0 1 259.393 3.805 20 0 CHADMN COc1ccsc1CNCc1ccc(CSC)cc1 ZINC000285407747 1127225859 /nfs/dbraw/zinc/22/58/59/1127225859.db2.gz FOFKVPIHNXYOJC-UHFFFAOYSA-N 0 1 293.457 3.910 20 0 CHADMN CCc1ccc(CN2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000352390514 1127228725 /nfs/dbraw/zinc/22/87/25/1127228725.db2.gz CZWCZZNUGWESFB-INIZCTEOSA-N 0 1 289.810 3.546 20 0 CHADMN COc1ccccc1CCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000285479285 1127230945 /nfs/dbraw/zinc/23/09/45/1127230945.db2.gz VQKPEERQRWYMKE-QGZVFWFLSA-N 0 1 299.418 3.578 20 0 CHADMN COc1ccccc1CCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000285479280 1127231465 /nfs/dbraw/zinc/23/14/65/1127231465.db2.gz VQKPEERQRWYMKE-KRWDZBQOSA-N 0 1 299.418 3.578 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)NCc1[nH]nc2ccccc21 ZINC000589641065 1127231806 /nfs/dbraw/zinc/23/18/06/1127231806.db2.gz IKFVTCOIDWSLBG-LLVKDONJSA-N 0 1 299.349 3.561 20 0 CHADMN C/C(=C\c1ccccc1)CNc1cnn(-c2ccncc2)c1 ZINC000589650382 1127233024 /nfs/dbraw/zinc/23/30/24/1127233024.db2.gz NLHPGLSIXBDRNX-RVDMUPIBSA-N 0 1 290.370 3.783 20 0 CHADMN CC(C)n1cc(CN[C@@H]2CCc3sc(Cl)cc32)cn1 ZINC000352453020 1127234151 /nfs/dbraw/zinc/23/41/51/1127234151.db2.gz JSMFLQZCXARKLU-GFCCVEGCSA-N 0 1 295.839 3.956 20 0 CHADMN CC(C)CSCCCN[C@H](C)c1c(F)cncc1F ZINC000285533922 1127235512 /nfs/dbraw/zinc/23/55/12/1127235512.db2.gz FOQFGYMBFBEASX-LLVKDONJSA-N 0 1 288.407 3.790 20 0 CHADMN CCOC1CC2(C1)CCN(Cc1ccc(Cl)cc1F)C2 ZINC000285541142 1127236300 /nfs/dbraw/zinc/23/63/00/1127236300.db2.gz QQBUZFVTNPRKGW-UHFFFAOYSA-N 0 1 297.801 3.870 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2)c2ccc(C)cc2)[nH]n1 ZINC000589633775 1127231367 /nfs/dbraw/zinc/23/13/67/1127231367.db2.gz IURZLCVDSQGENY-LJQANCHMSA-N 0 1 291.398 3.906 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1cnc2ccccc2n1 ZINC000589840047 1127237213 /nfs/dbraw/zinc/23/72/13/1127237213.db2.gz XVOVEOAVXIRMCW-KRWDZBQOSA-N 0 1 289.382 3.715 20 0 CHADMN CSc1ccc(CNCc2cnc3ccccc3n2)cc1 ZINC000589839574 1127237346 /nfs/dbraw/zinc/23/73/46/1127237346.db2.gz LTXBHLMYCDQEJZ-UHFFFAOYSA-N 0 1 295.411 3.642 20 0 CHADMN CSCc1ccc(CN[C@H](C)c2cncc(F)c2)cc1 ZINC000285592962 1127238638 /nfs/dbraw/zinc/23/86/38/1127238638.db2.gz WBSFIIGCYGDSGF-GFCCVEGCSA-N 0 1 290.407 3.935 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1cc(F)ccc1C ZINC000285638689 1127240072 /nfs/dbraw/zinc/24/00/72/1127240072.db2.gz ZEHYKCIQMDKABR-UHFFFAOYSA-N 0 1 276.355 3.764 20 0 CHADMN CCOC1CC2(C1)CCN(Cc1ccc(F)cc1Cl)C2 ZINC000285625652 1127240127 /nfs/dbraw/zinc/24/01/27/1127240127.db2.gz YJUUUDVIYOLQJG-UHFFFAOYSA-N 0 1 297.801 3.870 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000285820324 1127244026 /nfs/dbraw/zinc/24/40/26/1127244026.db2.gz WHSKFKNXPXMLHZ-UONOGXRCSA-N 0 1 298.386 3.573 20 0 CHADMN CN(CCC1CCOCC1)c1ccnc2cc(F)ccc21 ZINC000466809908 1127244129 /nfs/dbraw/zinc/24/41/29/1127244129.db2.gz TVMZIGBKZZAHGW-UHFFFAOYSA-N 0 1 288.366 3.627 20 0 CHADMN Cc1ccnc([C@H](C)N[C@H]2CCCc3occc32)c1 ZINC000285855773 1127245741 /nfs/dbraw/zinc/24/57/41/1127245741.db2.gz YDAMIUHCCJXBHA-JSGCOSHPSA-N 0 1 256.349 3.711 20 0 CHADMN CC[C@@H](NCc1cc(F)cc(OC)c1)c1ccc(F)cn1 ZINC000352907718 1127249634 /nfs/dbraw/zinc/24/96/34/1127249634.db2.gz HOKHJXDQGAECNF-OAHLLOKOSA-N 0 1 292.329 3.609 20 0 CHADMN Cc1nocc1CN(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000352948464 1127252746 /nfs/dbraw/zinc/25/27/46/1127252746.db2.gz UEJVQMJCIXBLSA-QGZVFWFLSA-N 0 1 299.418 3.914 20 0 CHADMN Cc1cc(Cl)ccc1CN[C@@H](c1nccn1C)C1CC1 ZINC000353032297 1127258149 /nfs/dbraw/zinc/25/81/49/1127258149.db2.gz GCGPGLIOWLJBFS-OAHLLOKOSA-N 0 1 289.810 3.623 20 0 CHADMN FC(F)(F)C1(CNCc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000353050590 1127259648 /nfs/dbraw/zinc/25/96/48/1127259648.db2.gz FRSLEFDVPWUMCR-UHFFFAOYSA-N 0 1 295.308 3.509 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cc(C)ccn2)cc1 ZINC000286136557 1127260029 /nfs/dbraw/zinc/26/00/29/1127260029.db2.gz OTHIDYMILYBFQW-KBPBESRZSA-N 0 1 270.376 3.810 20 0 CHADMN COc1ccsc1CN[C@@H]1CCOc2c(C)cccc21 ZINC000353206994 1127264165 /nfs/dbraw/zinc/26/41/65/1127264165.db2.gz HRYOKCDHLORVIG-CYBMUJFWSA-N 0 1 289.400 3.679 20 0 CHADMN CSc1ccc(CNCc2ccc3cc[nH]c3n2)cc1 ZINC000353235761 1127265159 /nfs/dbraw/zinc/26/51/59/1127265159.db2.gz ZZTRCONEUDXOLS-UHFFFAOYSA-N 0 1 283.400 3.575 20 0 CHADMN CCc1ccc([C@H]2CCCN([C@@H](C)c3nnc(C)o3)C2)cc1 ZINC000286462961 1127268221 /nfs/dbraw/zinc/26/82/21/1127268221.db2.gz NEIVYCBWTSNJJI-GUYCJALGSA-N 0 1 299.418 3.881 20 0 CHADMN COc1ccc2nc(CNCc3ccccc3C)sc2c1 ZINC000353741699 1127273668 /nfs/dbraw/zinc/27/36/68/1127273668.db2.gz UVYOERVKZURWCU-UHFFFAOYSA-N 0 1 298.411 3.903 20 0 CHADMN CC[C@@H](N[C@H](C)c1cc(OC)ccn1)c1ccccc1 ZINC000924859062 1127273959 /nfs/dbraw/zinc/27/39/59/1127273959.db2.gz SSDMVOBKBKZBFU-CZUORRHYSA-N 0 1 270.376 3.892 20 0 CHADMN CCCC[C@@H](C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000286898750 1127275734 /nfs/dbraw/zinc/27/57/34/1127275734.db2.gz MPOFWRXNMAJOAP-MRVPVSSYSA-N 0 1 273.735 3.950 20 0 CHADMN Cc1cccc2ncc(CN3CCC[C@@H]4CCCC[C@@H]43)n21 ZINC000353894584 1127276833 /nfs/dbraw/zinc/27/68/33/1127276833.db2.gz DSQVKGTURRXPNP-RDJZCZTQSA-N 0 1 283.419 3.797 20 0 CHADMN Cc1ncccc1CN[C@H](C)c1ccc(F)c(F)c1 ZINC000590880687 1127277017 /nfs/dbraw/zinc/27/70/17/1127277017.db2.gz QHQMHTONPIKRNM-SNVBAGLBSA-N 0 1 262.303 3.519 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](c2nccn2C)C2CC2)s1 ZINC000353933170 1127280336 /nfs/dbraw/zinc/28/03/36/1127280336.db2.gz VBPQBXHBLPLBIH-NHYWBVRUSA-N 0 1 289.448 3.846 20 0 CHADMN CC(=O)[C@H]1CCN(Cc2ccc(Cl)c(C(C)C)c2)C1 ZINC001238226346 1131184412 /nfs/dbraw/zinc/18/44/12/1131184412.db2.gz TZEHGNCEUSCMMP-AWEZNQCLSA-N 0 1 279.811 3.874 20 0 CHADMN Cc1n[nH]c(C)c1CN1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000353987126 1127283469 /nfs/dbraw/zinc/28/34/69/1127283469.db2.gz NGSYLFVKDJEFMM-KRWDZBQOSA-N 0 1 281.403 3.754 20 0 CHADMN C[C@@H](c1cn(-c2ccccc2)nn1)N1CCCCCCC1 ZINC000760806507 1127284345 /nfs/dbraw/zinc/28/43/45/1127284345.db2.gz JFNYFPSOAMTQIW-HNNXBMFYSA-N 0 1 284.407 3.594 20 0 CHADMN Cc1csc(C[N@H+](CC(C)C)CC(C)(C)C)n1 ZINC000354008713 1127284731 /nfs/dbraw/zinc/28/47/31/1127284731.db2.gz FKQLNBDAYOVOMW-UHFFFAOYSA-N 0 1 254.443 3.956 20 0 CHADMN Cc1cccc2nc(CN3CC[C@@H](C)C(C)(C)C3)cn21 ZINC000354003141 1127284892 /nfs/dbraw/zinc/28/48/92/1127284892.db2.gz RMCPNVSMWXIFKW-CYBMUJFWSA-N 0 1 271.408 3.511 20 0 CHADMN Cc1nc(CN2CC[C@H](C)C(C)(C)C2)c(C)s1 ZINC000354024421 1127285582 /nfs/dbraw/zinc/28/55/82/1127285582.db2.gz OSKXVZITZLAMOE-JTQLQIEISA-N 0 1 252.427 3.628 20 0 CHADMN Cc1ccsc1-c1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000354024734 1127285974 /nfs/dbraw/zinc/28/59/74/1127285974.db2.gz SYHOLOHFYFFPQB-UHFFFAOYSA-N 0 1 298.327 3.757 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc[nH]2)cc1Br ZINC000354044666 1127288513 /nfs/dbraw/zinc/28/85/13/1127288513.db2.gz LKZGSNMPJVRSOO-UHFFFAOYSA-N 0 1 293.208 3.718 20 0 CHADMN C[C@@H](NCc1nccc(C(F)F)n1)[C@H](C)c1ccccc1 ZINC000287098301 1127289090 /nfs/dbraw/zinc/28/90/90/1127289090.db2.gz PYAZZBPNRBZRLG-NWDGAFQWSA-N 0 1 291.345 3.696 20 0 CHADMN CN(Cc1c(F)cccc1F)[C@@H]1CCC(C)(C)C1 ZINC001307739076 1127289328 /nfs/dbraw/zinc/28/93/28/1127289328.db2.gz UODICLDMGDBDKF-LLVKDONJSA-N 0 1 253.336 3.975 20 0 CHADMN CC(C)CN(C(=O)c1cnc(-c2ccccc2)[nH]1)C(C)C ZINC000573090369 1127293286 /nfs/dbraw/zinc/29/32/86/1127293286.db2.gz DWNAXQCJSQXVLW-UHFFFAOYSA-N 0 1 285.391 3.583 20 0 CHADMN CCC[C@H]1CCCN(Cc2csc(CC)n2)C1 ZINC000354116111 1127294332 /nfs/dbraw/zinc/29/43/32/1127294332.db2.gz JQQZVIMJSFRSBZ-LBPRGKRZSA-N 0 1 252.427 3.718 20 0 CHADMN CCOc1ccc2c(c1)CCN(Cc1cccs1)C2 ZINC000354124901 1127294589 /nfs/dbraw/zinc/29/45/89/1127294589.db2.gz BHIVSNYPUMDGRK-UHFFFAOYSA-N 0 1 273.401 3.705 20 0 CHADMN CCc1cnc(CN2CC[C@@H](c3ccccc3F)C2)s1 ZINC000354125523 1127295140 /nfs/dbraw/zinc/29/51/40/1127295140.db2.gz DUQLNPMAPPYDRL-GFCCVEGCSA-N 0 1 290.407 3.834 20 0 CHADMN CSC[C@H]1CCCN1Cc1cc(Cl)ccc1F ZINC000354100041 1127292333 /nfs/dbraw/zinc/29/23/33/1127292333.db2.gz JQLNXKAAHMYMOI-GFCCVEGCSA-N 0 1 273.804 3.807 20 0 CHADMN CCCOc1c(CN2CC=CCC2)cccc1OCC ZINC000679358547 1127304736 /nfs/dbraw/zinc/30/47/36/1127304736.db2.gz IHXAMBKYGHBIFB-UHFFFAOYSA-N 0 1 275.392 3.636 20 0 CHADMN CCN(CC)[C@H](C(=O)N(C)CCC(C)C)c1ccccc1 ZINC000591428850 1127302079 /nfs/dbraw/zinc/30/20/79/1127302079.db2.gz QFWZBCWAHVFAOZ-KRWDZBQOSA-N 0 1 290.451 3.574 20 0 CHADMN CCOc1ccc(CN2C3CCC2CC3)c(Cl)c1 ZINC001238404509 1131196391 /nfs/dbraw/zinc/19/63/91/1131196391.db2.gz ZKFYEDLYUOYHIN-UHFFFAOYSA-N 0 1 265.784 3.866 20 0 CHADMN CO[C@@H](C)CN(Cc1ncc(-c2ccccc2)o1)C(C)C ZINC000354440973 1127308385 /nfs/dbraw/zinc/30/83/85/1127308385.db2.gz BZSFPTVVSZZQAH-AWEZNQCLSA-N 0 1 288.391 3.587 20 0 CHADMN COc1c(Cl)ccc(F)c1CN1C[C@H]2CCC[C@@H]2C1 ZINC001238335355 1131191229 /nfs/dbraw/zinc/19/12/29/1131191229.db2.gz QIIQYIAXURHTQY-GHMZBOCLSA-N 0 1 283.774 3.720 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@H](C)c1ccc(F)cn1 ZINC000354976241 1127316132 /nfs/dbraw/zinc/31/61/32/1127316132.db2.gz SUQPIXLLBHMUBS-SCZZXKLOSA-N 0 1 264.266 3.602 20 0 CHADMN Cc1cc(CN(C)Cc2ccccc2)ncc1Cl ZINC001238426959 1131199387 /nfs/dbraw/zinc/19/93/87/1131199387.db2.gz MPCKXZNXGIGHBY-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@@H](C)c1ccc(F)cn1 ZINC000354976245 1127316381 /nfs/dbraw/zinc/31/63/81/1127316381.db2.gz SUQPIXLLBHMUBS-WCBMZHEXSA-N 0 1 264.266 3.602 20 0 CHADMN CCC[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccccn1 ZINC000591698055 1127313623 /nfs/dbraw/zinc/31/36/23/1127313623.db2.gz BDWGPWWSUWIICR-AWEZNQCLSA-N 0 1 280.375 3.589 20 0 CHADMN COc1ccccc1C[C@@H](C)NCc1ncc(Cl)s1 ZINC000225316815 1127313710 /nfs/dbraw/zinc/31/37/10/1127313710.db2.gz MJAISVCJCUGMEH-SNVBAGLBSA-N 0 1 296.823 3.526 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1cccc(C(F)F)c1 ZINC000354785531 1127314198 /nfs/dbraw/zinc/31/41/98/1127314198.db2.gz JATUAYCPTUIAAE-UHFFFAOYSA-N 0 1 287.269 3.753 20 0 CHADMN CC(C)Oc1ccc(CN2CCC[C@@H](CF)C2)c(F)c1 ZINC001238451975 1131202660 /nfs/dbraw/zinc/20/26/60/1131202660.db2.gz QGDMIHSGSDYANW-ZDUSSCGKSA-N 0 1 283.362 3.794 20 0 CHADMN C/C(=C/c1ccccc1)CNCc1cn2ccc(C)cc2n1 ZINC000591709393 1127314891 /nfs/dbraw/zinc/31/48/91/1127314891.db2.gz WYPKRUHHYLBQRV-YBEGLDIGSA-N 0 1 291.398 3.836 20 0 CHADMN Cc1ccc(OC(C)C)cc1CN1C[C@@H](F)C[C@H]1C ZINC001238478235 1131205925 /nfs/dbraw/zinc/20/59/25/1131205925.db2.gz VUHFMQYPVVUBIZ-HIFRSBDPSA-N 0 1 265.372 3.715 20 0 CHADMN CCc1ncc(CN2CC=C(C(C)(C)C)CC2)s1 ZINC000355180444 1127323242 /nfs/dbraw/zinc/32/32/42/1127323242.db2.gz BJWOREZNFFYNPB-UHFFFAOYSA-N 0 1 264.438 3.884 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1sccc1Cl ZINC000355201682 1127324176 /nfs/dbraw/zinc/32/41/76/1127324176.db2.gz UJNWZLWJUXOANR-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN Cc1cc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)cc2cccnc12 ZINC000355212811 1127325093 /nfs/dbraw/zinc/32/50/93/1127325093.db2.gz DVHCBVBRRAQMKY-KSSFIOAISA-N 0 1 296.414 3.543 20 0 CHADMN Clc1cc(Cl)cc(-c2noc(CNCC3CC3)n2)c1 ZINC000225469981 1127326080 /nfs/dbraw/zinc/32/60/80/1127326080.db2.gz DTAAKWYLXYQXJP-UHFFFAOYSA-N 0 1 298.173 3.543 20 0 CHADMN c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCCC2(CCC2)C1 ZINC000355220217 1127326636 /nfs/dbraw/zinc/32/66/36/1127326636.db2.gz MSRHLBHWTFSQRU-UHFFFAOYSA-N 0 1 281.403 3.843 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H]2COCc3ccccc32)c(C)n1 ZINC000669426473 1127327060 /nfs/dbraw/zinc/32/70/60/1127327060.db2.gz JQZFALVQLXQJAB-RDTXWAMCSA-N 0 1 282.387 3.621 20 0 CHADMN Cc1nnsc1CN1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000573729393 1127328146 /nfs/dbraw/zinc/32/81/46/1127328146.db2.gz FYYYGNRXJUNQFV-IUODEOHRSA-N 0 1 287.432 3.615 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nc2ccc(F)cc2o1 ZINC000466820846 1127329809 /nfs/dbraw/zinc/32/98/09/1127329809.db2.gz FEEMFYJMGZGCDP-GFCCVEGCSA-N 0 1 262.328 3.731 20 0 CHADMN Cc1nc([C@@H]2CCCN2C[C@@H](O)C2CCCCC2)cs1 ZINC000355271297 1127329893 /nfs/dbraw/zinc/32/98/93/1127329893.db2.gz FZWLPTAOCAQNAJ-JKSUJKDBSA-N 0 1 294.464 3.530 20 0 CHADMN CC(C)CO[C@@H]1CCN(Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000355269086 1127330007 /nfs/dbraw/zinc/33/00/07/1127330007.db2.gz GZWOKHMRYMEGQN-FMKPAKJESA-N 0 1 277.408 3.650 20 0 CHADMN Cc1nc([C@@H](C)N[C@H](CO)CC2CCCCC2)c(C)s1 ZINC000669430000 1127330209 /nfs/dbraw/zinc/33/02/09/1127330209.db2.gz DSUOGTPLQZTRPY-ABAIWWIYSA-N 0 1 296.480 3.742 20 0 CHADMN C[C@H]1CN(Cc2cc(Cl)cs2)C[C@H](C)S1 ZINC000573871695 1127331549 /nfs/dbraw/zinc/33/15/49/1127331549.db2.gz OFUMAJVRHDTKFR-IUCAKERBSA-N 0 1 261.843 3.727 20 0 CHADMN Cc1ccccc1C[C@H](C)NCc1noc2c1CCCC2 ZINC000288349848 1127332937 /nfs/dbraw/zinc/33/29/37/1127332937.db2.gz BXXNBLNCAMCJBL-AWEZNQCLSA-N 0 1 284.403 3.583 20 0 CHADMN CSc1ccc(Cl)cc1CN1CC[C@]2(CCCO2)C1 ZINC001238673222 1131229912 /nfs/dbraw/zinc/22/99/12/1131229912.db2.gz WFYBWPMMSFWRSQ-OAHLLOKOSA-N 0 1 297.851 3.817 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(C)cc(C)c2)nc1 ZINC000355352302 1127335953 /nfs/dbraw/zinc/33/59/53/1127335953.db2.gz NGGPSTSDTJUFTK-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN C[C@@]1(F)CCN(Cc2cccc(-c3ccncc3)c2)C1 ZINC000355355897 1127336030 /nfs/dbraw/zinc/33/60/30/1127336030.db2.gz OVPIYCUMUHYYSK-QGZVFWFLSA-N 0 1 270.351 3.683 20 0 CHADMN c1cc(Oc2ccccc2)oc1CNCC1=CCCOC1 ZINC000288428904 1127338299 /nfs/dbraw/zinc/33/82/99/1127338299.db2.gz KRLRKJFIKLOPKR-UHFFFAOYSA-N 0 1 285.343 3.508 20 0 CHADMN COC[C@H](NCc1ccsc1)c1cccc(Cl)c1 ZINC000288464080 1127341328 /nfs/dbraw/zinc/34/13/28/1127341328.db2.gz FDLUPPPFSNKGBI-AWEZNQCLSA-N 0 1 281.808 3.879 20 0 CHADMN CCc1cnc(CN2CC[C@@H](C)C(C)(C)C2)s1 ZINC000355499956 1127345677 /nfs/dbraw/zinc/34/56/77/1127345677.db2.gz CDGZKSHUAVWZGS-LLVKDONJSA-N 0 1 252.427 3.574 20 0 CHADMN COc1ccccc1/C=C/CN(C)Cc1cnccc1C ZINC000355588265 1127351221 /nfs/dbraw/zinc/35/12/21/1127351221.db2.gz VNFLJKNHWPMBKT-SOFGYWHQSA-N 0 1 282.387 3.544 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1ccnn1CC(C)C ZINC000592503863 1127352569 /nfs/dbraw/zinc/35/25/69/1127352569.db2.gz AYABNRXVBDAMLT-CQSZACIVSA-N 0 1 283.485 3.503 20 0 CHADMN CC[N@@H+](CCSC)Cc1cscc1C(F)(F)F ZINC000592527119 1127353489 /nfs/dbraw/zinc/35/34/89/1127353489.db2.gz DCWOYAFOUCUYFT-UHFFFAOYSA-N 0 1 283.384 3.952 20 0 CHADMN COCc1nc(CN2CCC[C@H](C(C)(C)C)C2)cs1 ZINC000355656681 1127356239 /nfs/dbraw/zinc/35/62/39/1127356239.db2.gz KJSVUTXHNMDLIP-LBPRGKRZSA-N 0 1 282.453 3.548 20 0 CHADMN CC(C)c1cnc(CN[C@H](CO)CCC(C)(C)C)s1 ZINC000355675807 1127357659 /nfs/dbraw/zinc/35/76/59/1127357659.db2.gz FLNQCMKCIRJBPG-LBPRGKRZSA-N 0 1 284.469 3.543 20 0 CHADMN C[C@H](NCc1nc2ccc(F)cc2s1)c1ccc[nH]1 ZINC001308358532 1127370708 /nfs/dbraw/zinc/37/07/08/1127370708.db2.gz HCCMVSJLNHVFJH-VIFPVBQESA-N 0 1 275.352 3.614 20 0 CHADMN CCC[C@@]1(CO)CCN([C@@H](C)c2c(F)cccc2F)C1 ZINC000288944542 1127368187 /nfs/dbraw/zinc/36/81/87/1127368187.db2.gz XAQMFIVFMLBVNY-BLLLJJGKSA-N 0 1 283.362 3.510 20 0 CHADMN CCOC(=O)CCN([C@H](C)c1ccccc1Cl)C1CC1 ZINC000355951507 1127368716 /nfs/dbraw/zinc/36/87/16/1127368716.db2.gz WIPZQSQJLSQUFO-GFCCVEGCSA-N 0 1 295.810 3.819 20 0 CHADMN CCC[C@@]1(CO)CCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000288990969 1127369376 /nfs/dbraw/zinc/36/93/76/1127369376.db2.gz ZXMWPICOJWJSTK-BLLLJJGKSA-N 0 1 283.362 3.510 20 0 CHADMN CC(C)n1cc(CN(Cc2ccccc2)[C@H](C)C2CC2)nn1 ZINC000289131743 1127374826 /nfs/dbraw/zinc/37/48/26/1127374826.db2.gz OQDJFKGHESJBGA-OAHLLOKOSA-N 0 1 298.434 3.660 20 0 CHADMN Fc1ccc(CN2CCC[C@@H](c3ccncc3)C2)cc1F ZINC000289291972 1127380102 /nfs/dbraw/zinc/38/01/02/1127380102.db2.gz HGNYIPNSCVVBFX-OAHLLOKOSA-N 0 1 288.341 3.739 20 0 CHADMN C[C@H]1CCN(Cc2nc3cccnc3s2)CC12CCC2 ZINC000357043831 1127386247 /nfs/dbraw/zinc/38/62/47/1127386247.db2.gz RYSUEENNFVPNFC-LBPRGKRZSA-N 0 1 287.432 3.703 20 0 CHADMN CCC1CCC([N@@H+](C)Cc2ccccc2CC(=O)[O-])CC1 ZINC000167712617 1127387169 /nfs/dbraw/zinc/38/71/69/1127387169.db2.gz NPJBZKQZLXCYEK-UHFFFAOYSA-N 0 1 289.419 3.714 20 0 CHADMN c1n[nH]cc1CNCc1ccccc1Sc1ccccc1 ZINC000593322707 1127382615 /nfs/dbraw/zinc/38/26/15/1127382615.db2.gz QIUNIYZBZXZYKJ-UHFFFAOYSA-N 0 1 295.411 3.851 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1ccn(C2CCCC2)n1 ZINC000357300847 1127389212 /nfs/dbraw/zinc/38/92/12/1127389212.db2.gz HZFCXAXXUNQGPE-KBPBESRZSA-N 0 1 261.413 3.761 20 0 CHADMN CC/C=C/CCN1CCc2[nH]c3ccccc3c2C1 ZINC000466829047 1127389398 /nfs/dbraw/zinc/38/93/98/1127389398.db2.gz ODBVNZCUCYETBN-ONEGZZNKSA-N 0 1 254.377 3.882 20 0 CHADMN CC/C=C/CCN1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000466829993 1127391058 /nfs/dbraw/zinc/39/10/58/1127391058.db2.gz BDWFHKOFYQCNEY-SBXOADHZSA-N 0 1 259.393 3.805 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1nc(CCc2ccccc2)no1 ZINC000357529340 1127391168 /nfs/dbraw/zinc/39/11/68/1127391168.db2.gz NPDIZRKIJBPRSO-ZBFHGGJFSA-N 0 1 299.418 3.618 20 0 CHADMN CCn1cncc1C[N@H+]1CCCC[C@H]1c1ccccc1OC ZINC000669502845 1127397465 /nfs/dbraw/zinc/39/74/65/1127397465.db2.gz AFFXMSIGGPLURD-KRWDZBQOSA-N 0 1 299.418 3.639 20 0 CHADMN CCn1cncc1CN1CCCC[C@H]1c1ccccc1OC ZINC000669502845 1127397469 /nfs/dbraw/zinc/39/74/69/1127397469.db2.gz AFFXMSIGGPLURD-KRWDZBQOSA-N 0 1 299.418 3.639 20 0 CHADMN CSc1ccccc1CN(C)[C@H](C)c1ccncc1 ZINC000358078812 1127401241 /nfs/dbraw/zinc/40/12/41/1127401241.db2.gz WQRCVEXIFHFAJI-CYBMUJFWSA-N 0 1 272.417 3.997 20 0 CHADMN CSc1ccccc1CN(C)[C@@H](C)c1ccncc1 ZINC000358078813 1127401287 /nfs/dbraw/zinc/40/12/87/1127401287.db2.gz WQRCVEXIFHFAJI-ZDUSSCGKSA-N 0 1 272.417 3.997 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C)[C@@H]2CCC(C)(C)C2)c1 ZINC000358098991 1127402606 /nfs/dbraw/zinc/40/26/06/1127402606.db2.gz SPQGDGRMISBQRE-CYBMUJFWSA-N 0 1 285.391 3.522 20 0 CHADMN C[C@@H](c1ccccc1F)N1CC[C@@H](C(F)(F)F)C1 ZINC000761043518 1127406634 /nfs/dbraw/zinc/40/66/34/1127406634.db2.gz WOEUIKVMIANMFM-VHSXEESVSA-N 0 1 261.262 3.771 20 0 CHADMN FC(F)(F)[C@@H]1CCN(CCOc2ccc(Cl)cc2)C1 ZINC000761044414 1127408089 /nfs/dbraw/zinc/40/80/89/1127408089.db2.gz KRXOWOWYDPPPLD-SNVBAGLBSA-N 0 1 293.716 3.603 20 0 CHADMN CC[C@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1cccs1 ZINC000358231706 1127409472 /nfs/dbraw/zinc/40/94/72/1127409472.db2.gz AKGKKJAPCSWKKG-QWRGUYRKSA-N 0 1 278.425 3.792 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CC[C@H](C(F)(F)F)C1 ZINC000761048404 1127411078 /nfs/dbraw/zinc/41/10/78/1127411078.db2.gz YGDAQFFAHREIKX-KOLCDFICSA-N 0 1 261.262 3.771 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnccc1C)c1c(C)noc1C ZINC000358353310 1127417009 /nfs/dbraw/zinc/41/70/09/1127417009.db2.gz KFQUHULZRHAERG-XHDPSFHLSA-N 0 1 273.380 3.797 20 0 CHADMN CC(C)=CCC[C@H](C)NCc1nnc(C(C)C)s1 ZINC000358271488 1127411956 /nfs/dbraw/zinc/41/19/56/1127411956.db2.gz YNFWQKBWBOPHIY-LBPRGKRZSA-N 0 1 267.442 3.886 20 0 CHADMN CC[C@@H](N[C@H](C)c1n[nH]c(C(C)C)n1)c1ccc(F)cc1 ZINC000358271483 1127412322 /nfs/dbraw/zinc/41/23/22/1127412322.db2.gz YMSLASBSXNBQME-BXUZGUMPSA-N 0 1 290.386 3.869 20 0 CHADMN CC[C@H](Cc1ccccc1)NCc1nnc(C(C)C)s1 ZINC000358282789 1127412910 /nfs/dbraw/zinc/41/29/10/1127412910.db2.gz GCJMLAFYRADDMI-CQSZACIVSA-N 0 1 289.448 3.772 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(CC2CC2)CC2CCC2)c1 ZINC000358406788 1127419773 /nfs/dbraw/zinc/41/97/73/1127419773.db2.gz FSTRPIOBRIEKIJ-UHFFFAOYSA-N 0 1 297.402 3.524 20 0 CHADMN C(CCC1CCOCC1)CSCc1n[nH]c(C2CC2)n1 ZINC000358484321 1127423281 /nfs/dbraw/zinc/42/32/81/1127423281.db2.gz NCAVXWRIYMHPET-UHFFFAOYSA-N 0 1 295.452 3.512 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1ccccc1OC ZINC000358506312 1127424229 /nfs/dbraw/zinc/42/42/29/1127424229.db2.gz LUPUIGKGHSWMPA-CYBMUJFWSA-N 0 1 270.376 3.503 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1ccccc1F ZINC000358503273 1127424444 /nfs/dbraw/zinc/42/44/44/1127424444.db2.gz DVPPILIAFZFBTB-GFCCVEGCSA-N 0 1 258.340 3.634 20 0 CHADMN Fc1cccc(Oc2ccccc2CNCc2cn[nH]c2)c1 ZINC000594790230 1127431299 /nfs/dbraw/zinc/43/12/99/1127431299.db2.gz WGLSLQJWVGOGJN-UHFFFAOYSA-N 0 1 297.333 3.631 20 0 CHADMN CC/C=C\CCN(C)CC(=O)Nc1cccc(Cl)c1 ZINC000466833631 1127431569 /nfs/dbraw/zinc/43/15/69/1127431569.db2.gz VNFIRUXXSHPYPD-PLNGDYQASA-N 0 1 280.799 3.567 20 0 CHADMN CC(C)c1ncc(CN[C@@H](C)c2cncc(F)c2)s1 ZINC000358974559 1127441666 /nfs/dbraw/zinc/44/16/66/1127441666.db2.gz IPJQHWCPMHGCFF-JTQLQIEISA-N 0 1 279.384 3.651 20 0 CHADMN CC[C@@H]1CN(Cc2csc(C)c2C)[C@H](CC)CO1 ZINC000630072860 1127456574 /nfs/dbraw/zinc/45/65/74/1127456574.db2.gz LAMZXNXFMJOLGA-HUUCEWRRSA-N 0 1 267.438 3.754 20 0 CHADMN CCOc1cccc(CN[C@](C)(CC)c2ccccc2)n1 ZINC000158147496 1127460330 /nfs/dbraw/zinc/46/03/30/1127460330.db2.gz YYMCOZPNDDJBMP-GOSISDBHSA-N 0 1 284.403 3.895 20 0 CHADMN CCOC(=O)c1sc([C@@H](C)NCCC=C(C)C)nc1C ZINC000595436984 1127463026 /nfs/dbraw/zinc/46/30/26/1127463026.db2.gz PCKJBGIILRXKTI-GFCCVEGCSA-N 0 1 296.436 3.635 20 0 CHADMN Cc1ccn2c(CNc3cc4c(cn3)CCCC4)cnc2c1 ZINC000359469974 1127464229 /nfs/dbraw/zinc/46/42/29/1127464229.db2.gz IRVFCBULOZPJNJ-UHFFFAOYSA-N 0 1 292.386 3.529 20 0 CHADMN CCn1nc(C)c([C@@H](C)NCc2cc(F)cc(F)c2)c1C ZINC000359670941 1127472336 /nfs/dbraw/zinc/47/23/36/1127472336.db2.gz HIHRSPSQTNZBCX-SNVBAGLBSA-N 0 1 293.361 3.649 20 0 CHADMN COc1cc2c(cc1F)nccc2NC[C@H]1CCSC1 ZINC000359838085 1127479600 /nfs/dbraw/zinc/47/96/00/1127479600.db2.gz OXTJJHOBVWOMDF-SNVBAGLBSA-N 0 1 292.379 3.548 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H](CC(C)C)c2ccccc2)c1C ZINC000359860416 1127480875 /nfs/dbraw/zinc/48/08/75/1127480875.db2.gz UXCIPDXSEABMOW-HNNXBMFYSA-N 0 1 285.391 3.544 20 0 CHADMN Cc1nc(C)c(CN2Cc3ccccc3OC[C@@H]2C)s1 ZINC000359897278 1127482320 /nfs/dbraw/zinc/48/23/20/1127482320.db2.gz RMMMTTDIAGZTDT-NSHDSACASA-N 0 1 288.416 3.543 20 0 CHADMN CO[C@](C)(CNc1ccnc2cc(F)ccc21)C1CC1 ZINC000359953418 1127484049 /nfs/dbraw/zinc/48/40/49/1127484049.db2.gz BUHBDOBVRPBDSQ-MRXNPFEDSA-N 0 1 274.339 3.601 20 0 CHADMN CCC[N@H+](CC)Cc1nc2ccc(Br)cc2[nH]1 ZINC000360063728 1127488444 /nfs/dbraw/zinc/48/84/44/1127488444.db2.gz NULVEMCZGFSDOD-UHFFFAOYSA-N 0 1 296.212 3.557 20 0 CHADMN CCC[N@@H+](CC)Cc1nc2ccc(Br)cc2[nH]1 ZINC000360063728 1127488446 /nfs/dbraw/zinc/48/84/46/1127488446.db2.gz NULVEMCZGFSDOD-UHFFFAOYSA-N 0 1 296.212 3.557 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC(CCCO)CC1 ZINC000360089026 1127489860 /nfs/dbraw/zinc/48/98/60/1127489860.db2.gz PBDIHEOSLDGUOP-GFCCVEGCSA-N 0 1 283.362 3.510 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N(C)CCc1cnccn1 ZINC000360124614 1127490740 /nfs/dbraw/zinc/49/07/40/1127490740.db2.gz UMWDGWKLKPTZSY-LLVKDONJSA-N 0 1 293.773 3.505 20 0 CHADMN C[C@@H](CC(F)(F)F)N[C@@H](C)c1ccc(Cl)cn1 ZINC000359995891 1127486095 /nfs/dbraw/zinc/48/60/95/1127486095.db2.gz UYRZHDGVZOWRQG-YUMQZZPRSA-N 0 1 266.694 3.727 20 0 CHADMN Cc1cc(NCC[C@@H](C)O)c2cc(Cl)cc(C)c2n1 ZINC000360272064 1127494859 /nfs/dbraw/zinc/49/48/59/1127494859.db2.gz MJHHAXAXAGAUJD-LLVKDONJSA-N 0 1 278.783 3.688 20 0 CHADMN CC[C@@H](C)c1cc(C(=O)Nc2cc3cn[nH]c3cc2C)on1 ZINC000360433562 1127498633 /nfs/dbraw/zinc/49/86/33/1127498633.db2.gz LQCOZJMAFIWUIK-SECBINFHSA-N 0 1 298.346 3.625 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc2[nH]ccc2c1 ZINC000360414400 1127498940 /nfs/dbraw/zinc/49/89/40/1127498940.db2.gz QCNRZLPSKDNYNY-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN CC(C)c1nnc(C[N@H+]2CC[C@@H](C)C3(CCCCC3)C2)o1 ZINC000360610267 1127502590 /nfs/dbraw/zinc/50/25/90/1127502590.db2.gz ITYYYFIABVUTBH-CQSZACIVSA-N 0 1 291.439 3.985 20 0 CHADMN CC(C)c1nnc(CN2CC[C@@H](C)C3(CCCCC3)C2)o1 ZINC000360610267 1127502591 /nfs/dbraw/zinc/50/25/91/1127502591.db2.gz ITYYYFIABVUTBH-CQSZACIVSA-N 0 1 291.439 3.985 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cn3cccnc3n2)CC12CCCCC2 ZINC000360599231 1127502608 /nfs/dbraw/zinc/50/26/08/1127502608.db2.gz SUYCNHAFLFDMNE-HNNXBMFYSA-N 0 1 298.434 3.522 20 0 CHADMN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000360690519 1127506239 /nfs/dbraw/zinc/50/62/39/1127506239.db2.gz RZCYHLOYYYVLRW-YPMHNXCESA-N 0 1 289.423 3.574 20 0 CHADMN CC(C)CC[C@@H](O)CN(C)Cc1nc2ccccc2s1 ZINC000360692584 1127506265 /nfs/dbraw/zinc/50/62/65/1127506265.db2.gz WKCPNZAIZNITTQ-CYBMUJFWSA-N 0 1 292.448 3.525 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CC3(CCC3)[C@H]2C(C)C)c1 ZINC000293587406 1127507799 /nfs/dbraw/zinc/50/77/99/1127507799.db2.gz GIUOFLHTSBEIOD-MRXNPFEDSA-N 0 1 297.402 3.522 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@](CC)(C(=O)[O-])C1 ZINC000227833043 1127508206 /nfs/dbraw/zinc/50/82/06/1127508206.db2.gz CVHIOYAKOLMVGM-RDJZCZTQSA-N 0 1 293.382 3.854 20 0 CHADMN CC(C)(C)c1ccc(CC[N@H+]2CCC[C@@H](F)C2)cc1 ZINC001308850431 1127509358 /nfs/dbraw/zinc/50/93/58/1127509358.db2.gz GDEPKIHWUPDSEG-MRXNPFEDSA-N 0 1 263.400 3.961 20 0 CHADMN CCc1noc(C)c1CN[C@H]1CCCc2cc(F)ccc21 ZINC000293651300 1127510621 /nfs/dbraw/zinc/51/06/21/1127510621.db2.gz HWBBJLQQZNUPGD-KRWDZBQOSA-N 0 1 288.366 3.852 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1CCSc2ccccc21 ZINC000293706190 1127514173 /nfs/dbraw/zinc/51/41/73/1127514173.db2.gz MMZHDBXJGSPESO-OAHLLOKOSA-N 0 1 288.416 3.872 20 0 CHADMN CCN(Cc1ccncc1)Cc1ccc(C(C)C)nc1C ZINC000293685734 1127513075 /nfs/dbraw/zinc/51/30/75/1127513075.db2.gz BLDHRADGDKUASZ-UHFFFAOYSA-N 0 1 283.419 3.931 20 0 CHADMN CC1=CC[C@@H](N[C@@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000293731605 1127516029 /nfs/dbraw/zinc/51/60/29/1127516029.db2.gz WIMIDDDJXFJEEJ-DZGCQCFKSA-N 0 1 283.375 3.886 20 0 CHADMN CC(C)C[C@H]1CCCN1Cc1nnc(C2CC2)n1C1CC1 ZINC000360892729 1127517769 /nfs/dbraw/zinc/51/77/69/1127517769.db2.gz WLNLHPKLVDUXMW-OAHLLOKOSA-N 0 1 288.439 3.501 20 0 CHADMN CCCCOC(=O)CCN(C)Cc1ccccc1Cl ZINC000060474216 1127529605 /nfs/dbraw/zinc/52/96/05/1127529605.db2.gz VXIJUBUZHKUMPR-UHFFFAOYSA-N 0 1 283.799 3.505 20 0 CHADMN C[C@H](CSCCF)Nc1ccc2cnccc2c1 ZINC000597148399 1127529889 /nfs/dbraw/zinc/52/98/89/1127529889.db2.gz DGQBFDQAQKGCIU-LLVKDONJSA-N 0 1 264.369 3.738 20 0 CHADMN CCCc1ccc(NC(=O)[C@H](N)c2ccc(C)cc2)cc1 ZINC000228077503 1127525098 /nfs/dbraw/zinc/52/50/98/1127525098.db2.gz IJCULWDFRMJOFJ-QGZVFWFLSA-N 0 1 282.387 3.586 20 0 CHADMN Cc1ccnc(N[C@H](C)CSCCF)c1C1CC1 ZINC000597193061 1127531161 /nfs/dbraw/zinc/53/11/61/1127531161.db2.gz UKMLXQBNDNAFGW-LLVKDONJSA-N 0 1 268.401 3.771 20 0 CHADMN Cc1cc(N(C)CC[C@@H](C)O)c2cc(Cl)cc(C)c2n1 ZINC000361120872 1127540341 /nfs/dbraw/zinc/54/03/41/1127540341.db2.gz DRCRSIJUOUCOQZ-GFCCVEGCSA-N 0 1 292.810 3.712 20 0 CHADMN CN(C)[C@H](CNc1nccc2occc21)c1ccsc1 ZINC000361161815 1127543440 /nfs/dbraw/zinc/54/34/40/1127543440.db2.gz NWUHGIHKJQSYEA-CYBMUJFWSA-N 0 1 287.388 3.604 20 0 CHADMN COc1ccncc1CN[C@H]1CC(C)(C)c2ccccc21 ZINC000294082176 1127547717 /nfs/dbraw/zinc/54/77/17/1127547717.db2.gz IKWQFFSNUVCDKG-INIZCTEOSA-N 0 1 282.387 3.602 20 0 CHADMN C[C@H](NCc1cncs1)c1cccc(C2CC2)c1 ZINC000294088647 1127548320 /nfs/dbraw/zinc/54/83/20/1127548320.db2.gz IUJWUBMEHQHQRS-NSHDSACASA-N 0 1 258.390 3.871 20 0 CHADMN CC(C)O[C@H]1C[C@@H](NCc2csc(C(C)C)n2)C1(C)C ZINC000361236878 1127549093 /nfs/dbraw/zinc/54/90/93/1127549093.db2.gz LYTLFQFSYYEUFZ-KGLIPLIRSA-N 0 1 296.480 3.948 20 0 CHADMN Cc1sccc1CNCc1ccc(OC(C)C)nc1 ZINC000294160032 1127553660 /nfs/dbraw/zinc/55/36/60/1127553660.db2.gz PKLWRHPMEWVGMW-UHFFFAOYSA-N 0 1 276.405 3.529 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)N1CC[C@@H](C)[C@H]1C ZINC000361333568 1127558009 /nfs/dbraw/zinc/55/80/09/1127558009.db2.gz CKXKRWBQOWMUIG-MXWKQRLJSA-N 0 1 277.393 3.589 20 0 CHADMN CSCCCSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000361448358 1127563849 /nfs/dbraw/zinc/56/38/49/1127563849.db2.gz DFSSVZLNOVNDQS-SREVYHEPSA-N 0 1 295.433 3.722 20 0 CHADMN CN(CC(=O)c1c[nH]c2ccccc12)[C@@H]1CCC(C)(C)C1 ZINC000361472258 1127565546 /nfs/dbraw/zinc/56/55/46/1127565546.db2.gz WLWAMUTWYRSEPJ-CYBMUJFWSA-N 0 1 284.403 3.861 20 0 CHADMN CCN(Cc1nc(C(F)(F)F)cs1)CC1CCC1 ZINC000361480719 1127566058 /nfs/dbraw/zinc/56/60/58/1127566058.db2.gz FFKAPNZJEYIJBK-UHFFFAOYSA-N 0 1 278.343 3.784 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc(-n3ccnc3)c2)o1 ZINC000361480100 1127566461 /nfs/dbraw/zinc/56/64/61/1127566461.db2.gz BKWVMZXLWJRQAG-CQSZACIVSA-N 0 1 281.359 3.625 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Cl)cnc2F)C[C@@H]1C ZINC001231990629 1127566751 /nfs/dbraw/zinc/56/67/51/1127566751.db2.gz FRFCWOGZNOSDCJ-MNOVXSKESA-N 0 1 270.779 3.742 20 0 CHADMN COc1ccncc1CN[C@H]1C[C@H](C)c2c1cccc2C ZINC000294381268 1127569366 /nfs/dbraw/zinc/56/93/66/1127569366.db2.gz RLSLDPODFIOPPN-BBRMVZONSA-N 0 1 282.387 3.737 20 0 CHADMN CN(CCC1CCOCC1)Cc1ccsc1Cl ZINC000361563582 1127572895 /nfs/dbraw/zinc/57/28/95/1127572895.db2.gz GWMAIIRDVWVGGQ-UHFFFAOYSA-N 0 1 273.829 3.650 20 0 CHADMN CCN(Cc1nc(-c2ccsc2)oc1C)C[C@@H](C)OC ZINC000361575137 1127573232 /nfs/dbraw/zinc/57/32/32/1127573232.db2.gz BTOQEQMRLIZCAS-LLVKDONJSA-N 0 1 294.420 3.568 20 0 CHADMN CN(Cc1cc(F)ncc1F)C1CCCCCC1 ZINC000294506950 1127579591 /nfs/dbraw/zinc/57/95/91/1127579591.db2.gz CDNHLBZBHODXMU-UHFFFAOYSA-N 0 1 254.324 3.514 20 0 CHADMN Cc1cnc(CN2CC[C@](C)(c3ccc(F)cc3)C2)s1 ZINC000361643165 1127579602 /nfs/dbraw/zinc/57/96/02/1127579602.db2.gz LUSMWGWWISOYSD-INIZCTEOSA-N 0 1 290.407 3.754 20 0 CHADMN Fc1ccccc1CCN(Cc1ncccn1)C1CCCC1 ZINC000361704631 1127583003 /nfs/dbraw/zinc/58/30/03/1127583003.db2.gz GCNIZFFTYIDVQL-UHFFFAOYSA-N 0 1 299.393 3.603 20 0 CHADMN CC[C@H](N[C@H]1CSc2ccccc21)c1ccncc1 ZINC000361765691 1127587687 /nfs/dbraw/zinc/58/76/87/1127587687.db2.gz PTCJLRYDZFQZMF-GJZGRUSLSA-N 0 1 270.401 3.969 20 0 CHADMN COc1ccc(Cl)c(CN(C[C@H](C)OC)C(C)C)c1 ZINC000361826039 1127592147 /nfs/dbraw/zinc/59/21/47/1127592147.db2.gz QXFATQUVIMFJPM-LBPRGKRZSA-N 0 1 285.815 3.594 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnn(CC)c1)c1ccccc1F ZINC000294744487 1127595333 /nfs/dbraw/zinc/59/53/33/1127595333.db2.gz CPHARCMLTXWHEO-MLGOLLRUSA-N 0 1 275.371 3.844 20 0 CHADMN CCO[C@@H]1CCCN([C@H](C)c2cc(F)ccc2F)C1 ZINC000602578874 1127595975 /nfs/dbraw/zinc/59/59/75/1127595975.db2.gz MYFDEYNUUXDWDF-DGCLKSJQSA-N 0 1 269.335 3.527 20 0 CHADMN CC(C)(C)C[C@H]1CCCN1Cn1ccc(C(F)(F)F)n1 ZINC000060840133 1127599873 /nfs/dbraw/zinc/59/98/73/1127599873.db2.gz ANMAVBSVGHPEIR-LLVKDONJSA-N 0 1 289.345 3.760 20 0 CHADMN CCC[C@@H](CN1CCC[C@H]1c1ncon1)c1ccccc1 ZINC000362041824 1127607476 /nfs/dbraw/zinc/60/74/76/1127607476.db2.gz AOLRJVIKVXBTRB-HOTGVXAUSA-N 0 1 285.391 3.790 20 0 CHADMN C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1Cc1cncc(F)c1 ZINC000295024063 1127615370 /nfs/dbraw/zinc/61/53/70/1127615370.db2.gz CLXYSFGIRIIAQX-UMNHJUIQSA-N 0 1 290.304 3.772 20 0 CHADMN CCCc1nc(CN(CCOC)[C@@H]2CC[C@H](C)C2)cs1 ZINC000362153819 1127616154 /nfs/dbraw/zinc/61/61/54/1127616154.db2.gz GDPAPKSXLOPDKT-DZGCQCFKSA-N 0 1 296.480 3.733 20 0 CHADMN COCc1ccc(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)o1 ZINC000295002087 1127613602 /nfs/dbraw/zinc/61/36/02/1127613602.db2.gz LMPIBNPVYJVXCD-GHMZBOCLSA-N 0 1 291.313 3.589 20 0 CHADMN CS[C@@H]1CCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000295030168 1127614867 /nfs/dbraw/zinc/61/48/67/1127614867.db2.gz LMZJRVRCQBIBHV-CYBMUJFWSA-N 0 1 290.457 3.747 20 0 CHADMN CCCc1cc(C(=O)N(C)[C@@H](c2ccccc2)C(C)C)n[nH]1 ZINC000602805765 1127615311 /nfs/dbraw/zinc/61/53/11/1127615311.db2.gz BPGSNDHLOAXZHC-QGZVFWFLSA-N 0 1 299.418 3.832 20 0 CHADMN CSC1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000602920810 1127621431 /nfs/dbraw/zinc/62/14/31/1127621431.db2.gz DIDWNNJXDBCEEN-UHFFFAOYSA-N 0 1 288.416 3.669 20 0 CHADMN CC[C@H](NCc1cc(F)ncc1F)c1ccccc1 ZINC000295264046 1127630667 /nfs/dbraw/zinc/63/06/67/1127630667.db2.gz VEXRKEULMUCTQD-AWEZNQCLSA-N 0 1 262.303 3.601 20 0 CHADMN CC[C@@H](NCc1cc(F)ncc1F)c1ccccc1 ZINC000295264047 1127630861 /nfs/dbraw/zinc/63/08/61/1127630861.db2.gz VEXRKEULMUCTQD-CQSZACIVSA-N 0 1 262.303 3.601 20 0 CHADMN Cc1nocc1CN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000295330698 1127635269 /nfs/dbraw/zinc/63/52/69/1127635269.db2.gz LXIJMHOHFWHWAA-UHFFFAOYSA-N 0 1 292.329 3.641 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cnn(CC(F)F)c2)cc1 ZINC000295370641 1127638324 /nfs/dbraw/zinc/63/83/24/1127638324.db2.gz OJZWQYHFJHZWKX-ZDUSSCGKSA-N 0 1 293.361 3.650 20 0 CHADMN Fc1cc(Cl)cc(CN2CCC[C@@]3(CCCOC3)C2)c1 ZINC000362505591 1127640573 /nfs/dbraw/zinc/64/05/73/1127640573.db2.gz NFASUDCCHHYCDR-MRXNPFEDSA-N 0 1 297.801 3.872 20 0 CHADMN Cc1ccsc1[C@@H](CO)NCc1cc(F)cc(Cl)c1 ZINC000362516270 1127641709 /nfs/dbraw/zinc/64/17/09/1127641709.db2.gz OAYPUZUAJLKNNT-CYBMUJFWSA-N 0 1 299.798 3.672 20 0 CHADMN Cc1nocc1CN(C)[C@@H](C)c1ccc(C)cc1C ZINC000295455867 1127644112 /nfs/dbraw/zinc/64/41/12/1127644112.db2.gz VPAWLKPGZQQMRI-AWEZNQCLSA-N 0 1 258.365 3.793 20 0 CHADMN Cc1cccc(C(C)(C)NCc2cc(F)ncc2F)c1 ZINC000295632259 1127649196 /nfs/dbraw/zinc/64/91/96/1127649196.db2.gz HQQZNMYHTURDEQ-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN COc1cccc(CN[C@H]2CCc3cc(C)ccc32)c1F ZINC000669680861 1127649839 /nfs/dbraw/zinc/64/98/39/1127649839.db2.gz ZIWSEPAKLCABNG-INIZCTEOSA-N 0 1 285.362 3.920 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@H]1NCc1ccc(C(C)(C)O)cc1 ZINC000295696440 1127650320 /nfs/dbraw/zinc/65/03/20/1127650320.db2.gz MCEFPAXEIVYPSF-UGSOOPFHSA-N 0 1 297.398 3.526 20 0 CHADMN c1c[nH]c([C@H]2CCCN2Cc2ccccc2OC2CC2)c1 ZINC000295680663 1127650509 /nfs/dbraw/zinc/65/05/09/1127650509.db2.gz MCAZFVGDUJORKT-QGZVFWFLSA-N 0 1 282.387 3.893 20 0 CHADMN COc1cccc(CNCCOC2CCCCCC2)c1F ZINC000669682383 1127650883 /nfs/dbraw/zinc/65/08/83/1127650883.db2.gz CBBGOWLLTUKNHR-UHFFFAOYSA-N 0 1 295.398 3.663 20 0 CHADMN Cc1cccc([C@H](N[C@@H]2C[C@@H](C)O[C@@H]2C)c2ccccn2)c1 ZINC000295723745 1127651108 /nfs/dbraw/zinc/65/11/08/1127651108.db2.gz OHFVTHULLSZRHZ-RGCFKVTRSA-N 0 1 296.414 3.635 20 0 CHADMN C[C@H](N[C@H]1CCCc2nc(Cl)ccc21)c1cccnc1 ZINC000295797254 1127652540 /nfs/dbraw/zinc/65/25/40/1127652540.db2.gz BWKOOIWFXYLGND-FZMZJTMJSA-N 0 1 287.794 3.858 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1NCc1csc(Cl)n1 ZINC000295826342 1127654101 /nfs/dbraw/zinc/65/41/01/1127654101.db2.gz VQPCYLORBWOEQX-WDEREUQCSA-N 0 1 290.885 3.950 20 0 CHADMN Cc1csc(CCNc2ccnc3cc(F)ccc32)n1 ZINC000603493169 1127654632 /nfs/dbraw/zinc/65/46/32/1127654632.db2.gz XBFMOVFUSVNUML-UHFFFAOYSA-N 0 1 287.363 3.793 20 0 CHADMN Cc1cccc(CN[C@@H](CCCO)c2ccccc2)c1F ZINC000295831522 1127654833 /nfs/dbraw/zinc/65/48/33/1127654833.db2.gz VKOVQCDUMZJEGG-KRWDZBQOSA-N 0 1 287.378 3.738 20 0 CHADMN C[C@@H]1CCN(Cc2cn3ccsc3n2)[C@@H]2CCCC[C@H]12 ZINC000603555516 1127657878 /nfs/dbraw/zinc/65/78/78/1127657878.db2.gz RNSTXPSAFCKAEY-BPLDGKMQSA-N 0 1 289.448 3.796 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H](C)c1ccccc1C ZINC000296170559 1127664383 /nfs/dbraw/zinc/66/43/83/1127664383.db2.gz XSLVEFRDTOZSKE-KBPBESRZSA-N 0 1 257.381 3.623 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H](C)c1ccc(C)cc1C ZINC000296173248 1127664595 /nfs/dbraw/zinc/66/45/95/1127664595.db2.gz XTEUWJGTRMXKJL-CABCVRRESA-N 0 1 271.408 3.932 20 0 CHADMN CS[C@@H]1CCN(Cc2nc(-c3cccs3)oc2C)C1 ZINC000296262769 1127667094 /nfs/dbraw/zinc/66/70/94/1127667094.db2.gz LWKBAQOWWYYUFZ-LLVKDONJSA-N 0 1 294.445 3.649 20 0 CHADMN CC(C)[C@@H]1C[C@H](NCc2n[nH]c(C3CC3)n2)c2ccccc21 ZINC000296286325 1127667344 /nfs/dbraw/zinc/66/73/44/1127667344.db2.gz FGCUSCJSROPBGM-HOTGVXAUSA-N 0 1 296.418 3.656 20 0 CHADMN CC1(C)CC[C@H](NCc2n[nH]c(C3CC3)n2)c2ccccc21 ZINC000296293147 1127667822 /nfs/dbraw/zinc/66/78/22/1127667822.db2.gz FNJKICPKPPNHEV-HNNXBMFYSA-N 0 1 296.418 3.584 20 0 CHADMN C[C@H](NC(=O)[C@H]1CCCCN1C)c1cccc2ccccc21 ZINC000599389387 1127670505 /nfs/dbraw/zinc/67/05/05/1127670505.db2.gz QWUZXKDJPMAXEQ-KBXCAEBGSA-N 0 1 296.414 3.501 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N2CCCCC[C@H]2C)o1 ZINC000603846421 1127676255 /nfs/dbraw/zinc/67/62/55/1127676255.db2.gz FFERBQWINQAFIN-CQSZACIVSA-N 0 1 292.423 3.526 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)oc1C ZINC000669699857 1127676291 /nfs/dbraw/zinc/67/62/91/1127676291.db2.gz LGHIFOPWNCLHMO-WDEREUQCSA-N 0 1 299.374 3.890 20 0 CHADMN Cc1cc([C@@H](C)Nc2cnn(-c3ccncc3)c2)oc1C ZINC000669703273 1127681114 /nfs/dbraw/zinc/68/11/14/1127681114.db2.gz LUESGTBGKIFYAK-GFCCVEGCSA-N 0 1 282.347 3.650 20 0 CHADMN CC(C)c1nnc(CNc2ccc3cnccc3c2)s1 ZINC000296753539 1127682777 /nfs/dbraw/zinc/68/27/77/1127682777.db2.gz JVAAAKMLOPLZHJ-UHFFFAOYSA-N 0 1 284.388 3.822 20 0 CHADMN C[C@H]1C[C@H](N[C@H]2c3ccccc3CC[C@H]2C)c2nccn21 ZINC000296796496 1127683472 /nfs/dbraw/zinc/68/34/72/1127683472.db2.gz LGIBGYTTYOYWQC-OSRSDYAFSA-N 0 1 281.403 3.802 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCCc3c[nH]nc32)cs1 ZINC000296840250 1127683911 /nfs/dbraw/zinc/68/39/11/1127683911.db2.gz MWLLHDFMOSLCTG-MFKMUULPSA-N 0 1 261.394 3.508 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccnc(F)c2)cc1F ZINC001118856270 1131240259 /nfs/dbraw/zinc/24/02/59/1131240259.db2.gz VAALGYODEYXSDK-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN CC(C)c1ccccc1OCCN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000297008939 1127687301 /nfs/dbraw/zinc/68/73/01/1127687301.db2.gz SZQBIZXORMEVKS-GDBMZVCRSA-N 0 1 299.418 3.681 20 0 CHADMN Cc1cc(CN[C@H]2CCOc3c(F)cccc32)cs1 ZINC000297044188 1127688157 /nfs/dbraw/zinc/68/81/57/1127688157.db2.gz YBWKLOPUWXNMNY-AWEZNQCLSA-N 0 1 277.364 3.809 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000297149747 1127689553 /nfs/dbraw/zinc/68/95/53/1127689553.db2.gz OGHINBHETKSYDG-OYNCUSHFSA-N 0 1 285.338 3.667 20 0 CHADMN CCc1noc(C)c1CN[C@@H](CC)c1ccsc1 ZINC000297257230 1127692321 /nfs/dbraw/zinc/69/23/21/1127692321.db2.gz JRXVZPHKDNQEGB-ZDUSSCGKSA-N 0 1 264.394 3.848 20 0 CHADMN Cc1cnc(C[N@H+](C)[C@@H]2CCC[C@@H]2c2ccccc2)o1 ZINC000297450637 1127696798 /nfs/dbraw/zinc/69/67/98/1127696798.db2.gz HAXYYTIZGNTNGR-HZPDHXFCSA-N 0 1 270.376 3.751 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H]1CCc2cc(C)ccc21 ZINC000297619683 1127701728 /nfs/dbraw/zinc/70/17/28/1127701728.db2.gz IWAXYEMYSNECFU-BBRMVZONSA-N 0 1 269.392 3.550 20 0 CHADMN Cc1noc(C)c1CN1CCS[C@H](c2ccccc2)C1 ZINC000364557204 1127704977 /nfs/dbraw/zinc/70/49/77/1127704977.db2.gz MDBJDNNIXRCHMJ-INIZCTEOSA-N 0 1 288.416 3.582 20 0 CHADMN CCN(CCSC)[C@@H](C)c1cc(F)ccc1F ZINC000604503450 1127708747 /nfs/dbraw/zinc/70/87/47/1127708747.db2.gz UCTRRCMWPXRIKP-JTQLQIEISA-N 0 1 259.365 3.711 20 0 CHADMN CCOc1cc(CN(C)[C@@H](C)c2ccco2)ccc1O ZINC000297906628 1127711595 /nfs/dbraw/zinc/71/15/95/1127711595.db2.gz RYWPZYMCXCGLTO-LBPRGKRZSA-N 0 1 275.348 3.577 20 0 CHADMN CCOc1cc(CN(Cc2ccco2)C(C)C)ccc1O ZINC000297978989 1127713365 /nfs/dbraw/zinc/71/33/65/1127713365.db2.gz XWTNSNLYGDCVMQ-UHFFFAOYSA-N 0 1 289.375 3.795 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298209029 1127716204 /nfs/dbraw/zinc/71/62/04/1127716204.db2.gz DIFQNHOTFFSZES-RIEGTJTDSA-N 0 1 292.329 3.866 20 0 CHADMN CCS[C@H]1CCC[C@H]1NCc1cc(-c2ccco2)on1 ZINC000298437244 1127723322 /nfs/dbraw/zinc/72/33/22/1127723322.db2.gz GTHSCJROJYFLAR-DOMZBBRYSA-N 0 1 292.404 3.698 20 0 CHADMN CC(C)[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000604986047 1127723699 /nfs/dbraw/zinc/72/36/99/1127723699.db2.gz ZRCJUVPCZZFOMD-KRWDZBQOSA-N 0 1 297.402 3.727 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)NCC3CCC3)n2)ccc1F ZINC000298882059 1127736214 /nfs/dbraw/zinc/73/62/14/1127736214.db2.gz OVWLFNGLYQDAHN-LLVKDONJSA-N 0 1 289.354 3.635 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N1CCC[C@@H]1c1ccsc1 ZINC000299025959 1127738558 /nfs/dbraw/zinc/73/85/58/1127738558.db2.gz PSPQEJADAVNGRW-OAHLLOKOSA-N 0 1 297.383 3.602 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)c1 ZINC000605522606 1127741837 /nfs/dbraw/zinc/74/18/37/1127741837.db2.gz JOMXMDOTXCWTLH-WWGRRREGSA-N 0 1 297.402 3.665 20 0 CHADMN CN1Cc2ccccc2[C@H](NCc2sccc2Cl)C1 ZINC000365954411 1127741915 /nfs/dbraw/zinc/74/19/15/1127741915.db2.gz KOMWUYBURPSUHC-CQSZACIVSA-N 0 1 292.835 3.678 20 0 CHADMN COc1ccc2c(c1)OCC[C@H]2N[C@@H](C)c1ccsc1 ZINC000366226517 1127743819 /nfs/dbraw/zinc/74/38/19/1127743819.db2.gz BDAMVSUSZYUYBI-XHDPSFHLSA-N 0 1 289.400 3.931 20 0 CHADMN COc1ccc2c(c1)OCC[C@@H]2N[C@H](C)c1ccsc1 ZINC000366226514 1127744256 /nfs/dbraw/zinc/74/42/56/1127744256.db2.gz BDAMVSUSZYUYBI-ABAIWWIYSA-N 0 1 289.400 3.931 20 0 CHADMN C/C(=C\c1ccccc1)CNCc1cn2cccc(C)c2n1 ZINC000605818140 1127746415 /nfs/dbraw/zinc/74/64/15/1127746415.db2.gz GJYMQLSPKNHXKB-RVDMUPIBSA-N 0 1 291.398 3.836 20 0 CHADMN CC(C)n1ccc(CNc2ccnc3cc(F)ccc32)n1 ZINC000606156827 1127753800 /nfs/dbraw/zinc/75/38/00/1127753800.db2.gz ZPHWZENYQKNYOJ-UHFFFAOYSA-N 0 1 284.338 3.763 20 0 CHADMN Cn1cccc1CNCc1ccnc(Oc2ccccc2)c1 ZINC000606469177 1127765006 /nfs/dbraw/zinc/76/50/06/1127765006.db2.gz DDTFLMPRXVRJAG-UHFFFAOYSA-N 0 1 293.370 3.502 20 0 CHADMN CC(C)CCOCCN1CCc2cc(F)ccc2[C@H]1C ZINC000606540335 1127765921 /nfs/dbraw/zinc/76/59/21/1127765921.db2.gz IQWJLJDMLCMANZ-CQSZACIVSA-N 0 1 279.399 3.808 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCCc2cccc(F)c2)no1 ZINC000371489710 1127767012 /nfs/dbraw/zinc/76/70/12/1127767012.db2.gz RTSJIDMDRVFGFK-KRWDZBQOSA-N 0 1 288.366 3.892 20 0 CHADMN CC(C)C[C@@H]1COCCN1C[C@H]1CCC2(CCCCC2)O1 ZINC000409446842 1127768025 /nfs/dbraw/zinc/76/80/25/1127768025.db2.gz QGTQUXWEHQSXSZ-IAGOWNOFSA-N 0 1 295.467 3.615 20 0 CHADMN Cc1ccc([C@H]2CCN(Cc3nccn3C(C)C)C2)cc1 ZINC000371746032 1127777378 /nfs/dbraw/zinc/77/73/78/1127777378.db2.gz GOUFTGRWXMYNMW-KRWDZBQOSA-N 0 1 283.419 3.762 20 0 CHADMN CCN(C)[C@H](C(=O)NCCCC(C)(C)C)c1ccccc1 ZINC000606873681 1127779557 /nfs/dbraw/zinc/77/95/57/1127779557.db2.gz NKZGVHUYPRRYHB-INIZCTEOSA-N 0 1 290.451 3.622 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C(C)C)cc2)C1 ZINC000062877368 1127780272 /nfs/dbraw/zinc/78/02/72/1127780272.db2.gz UJPVHWVOCMUYSE-GOSISDBHSA-N 0 1 289.419 3.887 20 0 CHADMN COC[C@@H]1CCCCN(Cc2csc(C(C)(C)C)n2)C1 ZINC000372107427 1127788034 /nfs/dbraw/zinc/78/80/34/1127788034.db2.gz GLPCIBIWZYGRAP-CYBMUJFWSA-N 0 1 296.480 3.689 20 0 CHADMN Clc1cccc(C2(NCc3n[nH]c4ccccc43)CC2)c1 ZINC000607168557 1127793818 /nfs/dbraw/zinc/79/38/18/1127793818.db2.gz GCUCOXNDTMHBQO-UHFFFAOYSA-N 0 1 297.789 3.995 20 0 CHADMN Clc1cccc(C2(NCc3[nH]nc4ccccc43)CC2)c1 ZINC000607168557 1127793821 /nfs/dbraw/zinc/79/38/21/1127793821.db2.gz GCUCOXNDTMHBQO-UHFFFAOYSA-N 0 1 297.789 3.995 20 0 CHADMN C[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1Cl ZINC000607359371 1127801151 /nfs/dbraw/zinc/80/11/51/1127801151.db2.gz VPUXYCVQFOPUIO-CQSZACIVSA-N 0 1 289.806 3.723 20 0 CHADMN CC[C@H]1CC[C@H](C(=O)Nc2ccccc2-c2nnc[nH]2)CC1 ZINC000372601687 1127807393 /nfs/dbraw/zinc/80/73/93/1127807393.db2.gz UCEVVOGNRRKKKO-JOCQHMNTSA-N 0 1 298.390 3.627 20 0 CHADMN Clc1scc(CN[C@@H]2CCO[C@H]2C2CC2)c1Cl ZINC000372888740 1127818221 /nfs/dbraw/zinc/81/82/21/1127818221.db2.gz DMUPACHXIPFTOI-KOLCDFICSA-N 0 1 292.231 3.712 20 0 CHADMN S=c1[nH]ccn1CN1CCC[C@H](c2ccccc2)CC1 ZINC000173337857 1127820370 /nfs/dbraw/zinc/82/03/70/1127820370.db2.gz MPRACXPHKBYMGD-HNNXBMFYSA-N 0 1 287.432 3.773 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2CCCC23CCC3)c(C)c1 ZINC000373099391 1127822710 /nfs/dbraw/zinc/82/27/10/1127822710.db2.gz MWOUIYQUCPHMID-UHFFFAOYSA-N 0 1 286.419 3.569 20 0 CHADMN CCN(CCOCC1CC1)Cc1ccccc1Cl ZINC000607726642 1127825729 /nfs/dbraw/zinc/82/57/29/1127825729.db2.gz HQTYLKCRXCREAR-UHFFFAOYSA-N 0 1 267.800 3.589 20 0 CHADMN COc1cccc(F)c1[C@H](C)NCc1[nH]nc2ccccc21 ZINC000608062688 1127842560 /nfs/dbraw/zinc/84/25/60/1127842560.db2.gz JNAFNPGTYVXSSM-NSHDSACASA-N 0 1 299.349 3.561 20 0 CHADMN CCCN(CCC)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000411169985 1127844594 /nfs/dbraw/zinc/84/45/94/1127844594.db2.gz VOYJAXKCXZYUGM-CQSZACIVSA-N 0 1 287.407 3.843 20 0 CHADMN C[C@H](NCc1ccc(OCC(F)F)cc1)c1ccccn1 ZINC000608054554 1127845282 /nfs/dbraw/zinc/84/52/82/1127845282.db2.gz KTKXUOISFHFKAL-LBPRGKRZSA-N 0 1 292.329 3.576 20 0 CHADMN CCC[N@@H+](CC1CCCCC1)[C@H](C)c1nc(COC)no1 ZINC000411186544 1127846230 /nfs/dbraw/zinc/84/62/30/1127846230.db2.gz JQEJSHSMXQNCIT-CYBMUJFWSA-N 0 1 295.427 3.569 20 0 CHADMN C[C@H]1CCN(Cc2cccc(O)c2Cl)CCC1(F)F ZINC001232784637 1127853469 /nfs/dbraw/zinc/85/34/69/1127853469.db2.gz RMSOGYMFHOACNI-JTQLQIEISA-N 0 1 289.753 3.913 20 0 CHADMN CCc1ccc(C2=CCN([C@@H](C)c3n[nH]c(C)n3)CC2)cc1 ZINC000411449309 1127860404 /nfs/dbraw/zinc/86/04/04/1127860404.db2.gz SPJZVWTYIFOKQN-ZDUSSCGKSA-N 0 1 296.418 3.526 20 0 CHADMN CC[C@@H](N[C@H](C)c1n[nH]c(C)n1)c1ccc(Cl)s1 ZINC000411510259 1127862941 /nfs/dbraw/zinc/86/29/41/1127862941.db2.gz FTUIIUCQJHNRDY-VXNVDRBHSA-N 0 1 284.816 3.630 20 0 CHADMN Fc1cccc(-n2ccc(C[N@H+]3CCC[C@H]4CCC[C@H]43)n2)c1 ZINC000608499260 1127871140 /nfs/dbraw/zinc/87/11/40/1127871140.db2.gz UAUMUYVKOQGZPM-RDTXWAMCSA-N 0 1 299.393 3.776 20 0 CHADMN Fc1cccc(-n2ccc(CN3CCC[C@H]4CCC[C@H]43)n2)c1 ZINC000608499260 1127871147 /nfs/dbraw/zinc/87/11/47/1127871147.db2.gz UAUMUYVKOQGZPM-RDTXWAMCSA-N 0 1 299.393 3.776 20 0 CHADMN Cc1cccn2cc(CN3CCC(C(C)C)CC3)nc12 ZINC000608499394 1127871228 /nfs/dbraw/zinc/87/12/28/1127871228.db2.gz QDESYNSSDTXPSU-UHFFFAOYSA-N 0 1 271.408 3.511 20 0 CHADMN CC[C@@H](NCc1ccn(CC(F)(F)F)n1)c1ccccc1 ZINC000411883821 1127878202 /nfs/dbraw/zinc/87/82/02/1127878202.db2.gz BFHXZVOKDFSMRK-CQSZACIVSA-N 0 1 297.324 3.686 20 0 CHADMN Fc1cc(F)cc(CN2CCSC3(CCC3)CC2)c1 ZINC000411878213 1127878349 /nfs/dbraw/zinc/87/83/49/1127878349.db2.gz VDIMRDBOGZXBCQ-UHFFFAOYSA-N 0 1 283.387 3.826 20 0 CHADMN CO[C@](C)([C@@H](C)NCc1csc(C(C)C)n1)C1CC1 ZINC000411961273 1127881304 /nfs/dbraw/zinc/88/13/04/1127881304.db2.gz ZSLDANKIYJLPAQ-IAQYHMDHSA-N 0 1 282.453 3.560 20 0 CHADMN CO[C@](C)([C@H](C)NCc1csc(C(C)C)n1)C1CC1 ZINC000411961278 1127881447 /nfs/dbraw/zinc/88/14/47/1127881447.db2.gz ZSLDANKIYJLPAQ-XHDPSFHLSA-N 0 1 282.453 3.560 20 0 CHADMN c1ccc(-c2ccc(CN3C[C@H]4CC[C@@H](C3)O4)cc2)cc1 ZINC000608745941 1127884913 /nfs/dbraw/zinc/88/49/13/1127884913.db2.gz FKAYJFFIAXKMJJ-KDURUIRLSA-N 0 1 279.383 3.717 20 0 CHADMN CC(C)(C)C[C@@H]1CC[N@@H+](Cc2cnns2)C1(C)C ZINC000412037222 1127889758 /nfs/dbraw/zinc/88/97/58/1127889758.db2.gz NGHIPEINXWFGPA-NSHDSACASA-N 0 1 267.442 3.575 20 0 CHADMN CCN(CC(=O)Nc1ccc(C)cc1F)C1CC(C)(C)C1 ZINC000412031508 1127891991 /nfs/dbraw/zinc/89/19/91/1127891991.db2.gz FWNDSKFQPRQTKV-UHFFFAOYSA-N 0 1 292.398 3.583 20 0 CHADMN CC(C)CC1(C(=O)N[C@@H]2CCCc3cn[nH]c32)CCCC1 ZINC000374442032 1127897133 /nfs/dbraw/zinc/89/71/33/1127897133.db2.gz DPXCXTMGUBRNPK-CQSZACIVSA-N 0 1 289.423 3.510 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1cccc2c1OCO2 ZINC000925376192 1127902820 /nfs/dbraw/zinc/90/28/20/1127902820.db2.gz YCRRNSGCTNZVFT-BDJLRTHQSA-N 0 1 299.345 3.893 20 0 CHADMN CC[C@H]1CN(C)c2ccccc2CN1Cc1nc(C)oc1C ZINC000659996658 1127909514 /nfs/dbraw/zinc/90/95/14/1127909514.db2.gz ONPPOGMFWCFJDZ-INIZCTEOSA-N 0 1 299.418 3.522 20 0 CHADMN Cc1cccc(CCN(C)Cc2cccc(O)c2F)c1 ZINC001233053140 1127914905 /nfs/dbraw/zinc/91/49/05/1127914905.db2.gz LDKGANGJXOEIAP-UHFFFAOYSA-N 0 1 273.351 3.514 20 0 CHADMN Fc1cc(Br)cc(CN2CC[C@H](C3CC3)C2)c1 ZINC000400054293 1127915507 /nfs/dbraw/zinc/91/55/07/1127915507.db2.gz YLECDGQBGMBXDY-LBPRGKRZSA-N 0 1 298.199 3.820 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2ccc(F)nc2)cc1C ZINC000929508814 1127915940 /nfs/dbraw/zinc/91/59/40/1127915940.db2.gz FRJNBPQYDQVOFU-ZDUSSCGKSA-N 0 1 288.366 3.731 20 0 CHADMN Cc1cccc(C(=O)Nc2cccc3c2CN(C2CC2)C3)c1 ZINC000374838172 1127916262 /nfs/dbraw/zinc/91/62/62/1127916262.db2.gz SIBIZTDIORCYCF-UHFFFAOYSA-N 0 1 292.382 3.725 20 0 CHADMN Cc1ccc(C(=O)Nc2cccc3c2CN(C2CC2)C3)cc1 ZINC000374839117 1127916413 /nfs/dbraw/zinc/91/64/13/1127916413.db2.gz VQOZZJZDSNGIAS-UHFFFAOYSA-N 0 1 292.382 3.725 20 0 CHADMN C[C@@H]1CC(C)(C)CN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000412773976 1127925188 /nfs/dbraw/zinc/92/51/88/1127925188.db2.gz CMMXVLYDNAMHLL-GFCCVEGCSA-N 0 1 289.423 3.718 20 0 CHADMN C[C@H](NC[C@@](C)(O)C(F)F)c1ccc(Cl)cc1Cl ZINC000698706116 1127930534 /nfs/dbraw/zinc/93/05/34/1127930534.db2.gz ZXMXOGOEOAIJPJ-JVXZTZIISA-N 0 1 298.160 3.660 20 0 CHADMN CC(C)N(C)c1ccc(CN[C@@H](C)c2ccsc2)cn1 ZINC000669831000 1127930544 /nfs/dbraw/zinc/93/05/44/1127930544.db2.gz ICERDWBGFINKAG-ZDUSSCGKSA-N 0 1 289.448 3.839 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccn(C(C)C)c1 ZINC001203164257 1127935987 /nfs/dbraw/zinc/93/59/87/1127935987.db2.gz GYVJSDPMBSOPRM-UHFFFAOYSA-N 0 1 272.327 3.908 20 0 CHADMN COc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1F ZINC000470944430 1127933351 /nfs/dbraw/zinc/93/33/51/1127933351.db2.gz IVAZPOJMWWSWII-GXSJLCMTSA-N 0 1 291.288 3.607 20 0 CHADMN Cc1nc([C@@H](C)Sc2nc3ccc(Cl)cc3o2)n[nH]1 ZINC000412985666 1127935198 /nfs/dbraw/zinc/93/51/98/1127935198.db2.gz SLRPTTAPQUUNFP-ZCFIWIBFSA-N 0 1 294.767 3.761 20 0 CHADMN C[C@H]1CN(Cc2cc(O)ccc2Br)C2(CC2)C1 ZINC001138148361 1127938126 /nfs/dbraw/zinc/93/81/26/1127938126.db2.gz AAYDYDMIFBULHH-SNVBAGLBSA-N 0 1 296.208 3.529 20 0 CHADMN COc1cc(CN2CC[C@H](C)[C@@H](C)C2)cc(Cl)c1OC ZINC000539825744 1127941283 /nfs/dbraw/zinc/94/12/83/1127941283.db2.gz XAJIPZJKWMMJLU-RYUDHWBXSA-N 0 1 297.826 3.835 20 0 CHADMN C[C@H](CCc1cccc(F)c1)[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000375346147 1127942180 /nfs/dbraw/zinc/94/21/80/1127942180.db2.gz VRWPWNVWZVQJFP-CJNGLKHVSA-N 0 1 287.382 3.707 20 0 CHADMN C[C@H](CCc1cccc(F)c1)N1CCC[C@H]1c1ncc[nH]1 ZINC000375346147 1127942182 /nfs/dbraw/zinc/94/21/82/1127942182.db2.gz VRWPWNVWZVQJFP-CJNGLKHVSA-N 0 1 287.382 3.707 20 0 CHADMN C[C@H]1CN(Cc2cccc3c2OCCO3)[C@H]1c1ccccc1 ZINC000539820631 1127943045 /nfs/dbraw/zinc/94/30/45/1127943045.db2.gz OKVYFFVKXDHRFB-KBXCAEBGSA-N 0 1 295.382 3.651 20 0 CHADMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1nc2ccccc2n1CC ZINC000539829201 1127945608 /nfs/dbraw/zinc/94/56/08/1127945608.db2.gz LCIKPXDTHMXQFR-KGLIPLIRSA-N 0 1 271.408 3.677 20 0 CHADMN Cc1ccc(CN2CCC(C(F)F)CC2)cc1F ZINC000539834883 1127946172 /nfs/dbraw/zinc/94/61/72/1127946172.db2.gz PUPKTPAVDLJEQC-UHFFFAOYSA-N 0 1 257.299 3.611 20 0 CHADMN COc1ccccc1CN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000539863540 1127948995 /nfs/dbraw/zinc/94/89/95/1127948995.db2.gz TUQAHCUFVLGCEP-KDOFPFPSSA-N 0 1 267.372 3.888 20 0 CHADMN C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000539997461 1127957082 /nfs/dbraw/zinc/95/70/82/1127957082.db2.gz UARDJTHJWCYRIC-CHWSQXEVSA-N 0 1 298.390 3.627 20 0 CHADMN C[C@H](Cc1ccsc1)N1CCO[C@@H](c2cccs2)C1 ZINC000544007222 1127955327 /nfs/dbraw/zinc/95/53/27/1127955327.db2.gz MCNPDLDLZJUNFG-TZMCWYRMSA-N 0 1 293.457 3.814 20 0 CHADMN COC[C@@H]1CCCC[N@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000467117872 1127956134 /nfs/dbraw/zinc/95/61/34/1127956134.db2.gz NEXGPSAIXRYSGK-CHWSQXEVSA-N 0 1 283.362 3.774 20 0 CHADMN COc1ccc(C(C)(C)CN[C@@H](C)c2ncc(C)o2)cc1 ZINC000539977355 1127956496 /nfs/dbraw/zinc/95/64/96/1127956496.db2.gz OHOQRFIITGLVQB-ZDUSSCGKSA-N 0 1 288.391 3.620 20 0 CHADMN Fc1cccc(CCN2CCc3ccccc3C2)c1F ZINC000544069626 1127957416 /nfs/dbraw/zinc/95/74/16/1127957416.db2.gz HZAJALWVVSYWLM-UHFFFAOYSA-N 0 1 273.326 3.566 20 0 CHADMN CCOc1cccc(CN(C)Cc2cccc(F)c2)c1 ZINC000505615801 1127957836 /nfs/dbraw/zinc/95/78/36/1127957836.db2.gz VEURKWZHAHRGLX-UHFFFAOYSA-N 0 1 273.351 3.856 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c(C)c1 ZINC000540140421 1127962687 /nfs/dbraw/zinc/96/26/87/1127962687.db2.gz OZZQURURLMHAFT-ZIAGYGMSSA-N 0 1 286.423 3.957 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CC[C@H](C)[C@@H](OC)C1 ZINC000467284219 1127963065 /nfs/dbraw/zinc/96/30/65/1127963065.db2.gz PARCIQALEBPUNH-XZJROXQQSA-N 0 1 283.362 3.773 20 0 CHADMN CO[C@@H]1CN(Cc2c(Cl)oc3ccccc32)CC[C@@H]1C ZINC000467387438 1127967581 /nfs/dbraw/zinc/96/75/81/1127967581.db2.gz GSBHPQZSNKYLKV-XHDPSFHLSA-N 0 1 293.794 3.943 20 0 CHADMN Clc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3c[nH]nc31)CC2 ZINC000540159841 1127963799 /nfs/dbraw/zinc/96/37/99/1127963799.db2.gz GBEONOVYPXRZQG-LSDHHAIUSA-N 0 1 287.794 3.718 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](CO)c2cccc(F)c2)cc1 ZINC000540186597 1127968106 /nfs/dbraw/zinc/96/81/06/1127968106.db2.gz ZUKKTNVQJQWZOK-UGSOOPFHSA-N 0 1 287.378 3.772 20 0 CHADMN CC(C)c1ccc(OCCN[C@H](C)c2cscn2)cc1 ZINC000540192476 1127969020 /nfs/dbraw/zinc/96/90/20/1127969020.db2.gz HUGNMFSHCHGGSU-CYBMUJFWSA-N 0 1 290.432 3.996 20 0 CHADMN O=c1nc(-c2ccc3sccc3c2)[nH]c2ccsc21 ZINC000467529284 1127972984 /nfs/dbraw/zinc/97/29/84/1127972984.db2.gz LYLQFKKVKOBHAK-UHFFFAOYSA-N 0 1 284.365 3.866 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)NCC3CCC3)n2)cc1 ZINC000544514810 1127976020 /nfs/dbraw/zinc/97/60/20/1127976020.db2.gz AMIQOEBSQWHRGA-LBPRGKRZSA-N 0 1 285.391 3.750 20 0 CHADMN CC[C@H](N[C@H](C)c1ccc(C)cc1)c1ccn(C)n1 ZINC000544579407 1127977321 /nfs/dbraw/zinc/97/73/21/1127977321.db2.gz QZMGCJMYSKWEDF-HIFRSBDPSA-N 0 1 257.381 3.530 20 0 CHADMN CCCCCN(C(=O)NCc1cn[nH]c1C)[C@H](C)CCC ZINC000467813940 1127981007 /nfs/dbraw/zinc/98/10/07/1127981007.db2.gz PRNVNZVTGFXPHJ-CYBMUJFWSA-N 0 1 294.443 3.609 20 0 CHADMN CC(C)[C@H]1CCN1Cc1ccccc1OC(F)F ZINC000540502669 1127982822 /nfs/dbraw/zinc/98/28/22/1127982822.db2.gz QZCOVYMTWXPJES-GFCCVEGCSA-N 0 1 255.308 3.518 20 0 CHADMN Cc1cccc(C)c1[C@@H](C)NCc1cn2ccccc2n1 ZINC000544841355 1127985851 /nfs/dbraw/zinc/98/58/51/1127985851.db2.gz LKSDQAUXKMSABD-OAHLLOKOSA-N 0 1 279.387 3.802 20 0 CHADMN CC[C@@]1(C)CCN([C@H](C)C(=O)Nc2ccc(C)cc2F)C1 ZINC000468148515 1127994775 /nfs/dbraw/zinc/99/47/75/1127994775.db2.gz IJMZIIPMDUIXPX-DYVFJYSZSA-N 0 1 292.398 3.583 20 0 CHADMN CC[C@@]1(C)CCN([C@@H](C)C(=O)Nc2cc(F)ccc2C)C1 ZINC000468115062 1127992700 /nfs/dbraw/zinc/99/27/00/1127992700.db2.gz KGHMLYCUDRCSJE-GUYCJALGSA-N 0 1 292.398 3.583 20 0 CHADMN CCCCc1noc([C@@H](C)N2CC[C@](C)(CC)C2)n1 ZINC000468114259 1127992865 /nfs/dbraw/zinc/99/28/65/1127992865.db2.gz WWFNYWJWTHKPCF-DOMZBBRYSA-N 0 1 265.401 3.595 20 0 CHADMN C[C@H](NC1(c2ccc3c(c2)OCO3)CC1)c1ccsc1 ZINC000540750962 1127993116 /nfs/dbraw/zinc/99/31/16/1127993116.db2.gz UGDJHEKMMCAKGN-NSHDSACASA-N 0 1 287.384 3.817 20 0 CHADMN CC[C@]1(C)CCN([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000468108680 1127993270 /nfs/dbraw/zinc/99/32/70/1127993270.db2.gz FYJNGFUBHZGCJI-SUMWQHHRSA-N 0 1 285.391 3.920 20 0 CHADMN CCC1(c2nc(-c3ccc4[nH]cnc4c3)no2)CCCC1 ZINC000545023744 1127996731 /nfs/dbraw/zinc/99/67/31/1127996731.db2.gz BEWSCOZJNNJXPH-UHFFFAOYSA-N 0 1 282.347 3.835 20 0 CHADMN CC(C)(C)CCCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000545025747 1127996782 /nfs/dbraw/zinc/99/67/82/1127996782.db2.gz FAQYTNYMDPHWPD-UHFFFAOYSA-N 0 1 284.363 3.982 20 0 CHADMN Cc1ccc(Cc2nc(-c3ccc4[nH]cnc4c3)no2)s1 ZINC000545029065 1127997330 /nfs/dbraw/zinc/99/73/30/1127997330.db2.gz AFORXZIPBOLLRA-UHFFFAOYSA-N 0 1 296.355 3.574 20 0 CHADMN CC(C)CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000541085676 1128008281 /nfs/dbraw/zinc/00/82/81/1128008281.db2.gz KYQSWKBAYZFKEU-CQSZACIVSA-N 0 1 287.325 3.735 20 0 CHADMN CCc1nnc(SC/C=C\c2ccc(Cl)cc2)[nH]1 ZINC000468456309 1128009036 /nfs/dbraw/zinc/00/90/36/1128009036.db2.gz ANCJAEJMSROLNS-ARJAWSKDSA-N 0 1 279.796 3.826 20 0 CHADMN CCc1n[nH]c(SC/C=C\c2ccc(Cl)cc2)n1 ZINC000468456309 1128009039 /nfs/dbraw/zinc/00/90/39/1128009039.db2.gz ANCJAEJMSROLNS-ARJAWSKDSA-N 0 1 279.796 3.826 20 0 CHADMN CC(C)(CC[N@H+]1CCCC[C@@H]1CCC(=O)[O-])C1CC1 ZINC000406107573 1128010187 /nfs/dbraw/zinc/01/01/87/1128010187.db2.gz LJONPFHTBBQFCT-CQSZACIVSA-N 0 1 267.413 3.532 20 0 CHADMN CO[C@@H]1CCC[C@@H]1Sc1n[nH]c(CCC2CCCC2)n1 ZINC000541410069 1128021908 /nfs/dbraw/zinc/02/19/08/1128021908.db2.gz CJWJZVKMTGOMDR-OLZOCXBDSA-N 0 1 295.452 3.587 20 0 CHADMN CO[C@@H]1CCC[C@@H]1Sc1nc(CCC2CCCC2)n[nH]1 ZINC000541410069 1128021913 /nfs/dbraw/zinc/02/19/13/1128021913.db2.gz CJWJZVKMTGOMDR-OLZOCXBDSA-N 0 1 295.452 3.587 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccc3c(c1)CCCC3)CO2 ZINC000491318654 1128021961 /nfs/dbraw/zinc/02/19/61/1128021961.db2.gz BDBSOAPQHDIJDF-GOSISDBHSA-N 0 1 297.373 3.928 20 0 CHADMN CC(C)C[C@@H]1CCCN(Cc2cn3ccsc3n2)C1 ZINC000468966481 1128030143 /nfs/dbraw/zinc/03/01/43/1128030143.db2.gz NKKGQMOMBDMYPZ-ZDUSSCGKSA-N 0 1 277.437 3.654 20 0 CHADMN CC(C)C[C@@H](C)n1cc(CN(C(C)C)C(C)C)nn1 ZINC000900548939 1128032874 /nfs/dbraw/zinc/03/28/74/1128032874.db2.gz CARGRGYRDRVSGG-CQSZACIVSA-N 0 1 266.433 3.504 20 0 CHADMN C[C@@H]1C[C@@H]1c1noc(-c2ccc3[nH]c(C(F)F)nc3c2)n1 ZINC000545773392 1128033240 /nfs/dbraw/zinc/03/32/40/1128033240.db2.gz FOWDOCGQIOCZHM-SVRRBLITSA-N 0 1 290.273 3.674 20 0 CHADMN CC(C)c1nc([C@H](C)NC(=O)[C@@H](C)CCC(C)(C)C)n[nH]1 ZINC000541722927 1128034530 /nfs/dbraw/zinc/03/45/30/1128034530.db2.gz REYAXKWHURIACU-RYUDHWBXSA-N 0 1 294.443 3.568 20 0 CHADMN CO[C@@H](C)CN(Cc1c(F)cccc1F)C1CCCC1 ZINC000542003353 1128046770 /nfs/dbraw/zinc/04/67/70/1128046770.db2.gz OFIKCFJXZITEGW-LBPRGKRZSA-N 0 1 283.362 3.744 20 0 CHADMN CO[C@H](C)CN(Cc1c(F)cccc1F)C1CCCC1 ZINC000542003352 1128046782 /nfs/dbraw/zinc/04/67/82/1128046782.db2.gz OFIKCFJXZITEGW-GFCCVEGCSA-N 0 1 283.362 3.744 20 0 CHADMN CC(C)C[N@@H+](CCOCC(F)F)Cc1ccccc1F ZINC000469605105 1128048008 /nfs/dbraw/zinc/04/80/08/1128048008.db2.gz PHHQRDICXFXQHR-UHFFFAOYSA-N 0 1 289.341 3.565 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@H]2c2cccc(F)c2)c(C)nn1 ZINC000929720844 1128054344 /nfs/dbraw/zinc/05/43/44/1128054344.db2.gz SMBWATMWYZMMTC-XIKOKIGWSA-N 0 1 299.393 3.816 20 0 CHADMN Fc1ccc([C@@H]2CCCCN2CCOCC(F)F)cc1 ZINC000469727235 1128051619 /nfs/dbraw/zinc/05/16/19/1128051619.db2.gz DYYHIHOCOFMDGZ-AWEZNQCLSA-N 0 1 287.325 3.634 20 0 CHADMN CCn1cnc(Cl)c1CN1CC[C@H]2CCCC[C@H]2C1 ZINC001205082647 1128056757 /nfs/dbraw/zinc/05/67/57/1128056757.db2.gz OTBJUHGWYPBUQW-OLZOCXBDSA-N 0 1 281.831 3.569 20 0 CHADMN Cc1cccc(-c2noc(CN(C)C[C@@H]3CC=CCC3)n2)c1 ZINC000542247784 1128058541 /nfs/dbraw/zinc/05/85/41/1128058541.db2.gz RCXWMVBDVFLCDA-OAHLLOKOSA-N 0 1 297.402 3.833 20 0 CHADMN CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccccc1F ZINC000469990009 1128061804 /nfs/dbraw/zinc/06/18/04/1128061804.db2.gz IGKYXXNLZWBCGJ-GFCCVEGCSA-N 0 1 275.289 3.989 20 0 CHADMN Cc1nc(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)cs1 ZINC000542321746 1128063751 /nfs/dbraw/zinc/06/37/51/1128063751.db2.gz BORINQNDBAEXRT-HNNXBMFYSA-N 0 1 272.417 3.749 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccc(C)cc3)C2)cs1 ZINC000542321746 1128063756 /nfs/dbraw/zinc/06/37/56/1128063756.db2.gz BORINQNDBAEXRT-HNNXBMFYSA-N 0 1 272.417 3.749 20 0 CHADMN CCc1ccc(CC)c(NC(=O)CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000470547034 1128073360 /nfs/dbraw/zinc/07/33/60/1128073360.db2.gz BPJLGLAAKHOZRW-KBPBESRZSA-N 0 1 288.435 3.623 20 0 CHADMN CC(C)(C)c1ccccc1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000913741811 1128078568 /nfs/dbraw/zinc/07/85/68/1128078568.db2.gz QZBXSNTZRBWVBG-GFCCVEGCSA-N 0 1 297.402 3.766 20 0 CHADMN CCOc1ccccc1CN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470945734 1128082860 /nfs/dbraw/zinc/08/28/60/1128082860.db2.gz JZPZSVXTDPNWIU-AAEUAGOBSA-N 0 1 287.325 3.858 20 0 CHADMN Cc1ccnc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000669943734 1128084528 /nfs/dbraw/zinc/08/45/28/1128084528.db2.gz BKWRVLQTKCIXKC-CQSZACIVSA-N 0 1 298.352 3.945 20 0 CHADMN COC(=O)c1cccc(CN2C[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000471025253 1128085825 /nfs/dbraw/zinc/08/58/25/1128085825.db2.gz KFWSPNQKQDDTIZ-KBXCAEBGSA-N 0 1 295.382 3.666 20 0 CHADMN COc1cc(C)c(C)cc1CN1CCCC[C@H](F)C1 ZINC001238760601 1131241819 /nfs/dbraw/zinc/24/18/19/1131241819.db2.gz WQZRCNWVHCCMTN-HNNXBMFYSA-N 0 1 265.372 3.636 20 0 CHADMN CC(C)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000924085828 1128089849 /nfs/dbraw/zinc/08/98/49/1128089849.db2.gz UKLKVWCMCFJNKC-CYBMUJFWSA-N 0 1 293.317 3.560 20 0 CHADMN COCCCN[C@@H](c1cc2ccccc2o1)c1ccccn1 ZINC000924535737 1128102642 /nfs/dbraw/zinc/10/26/42/1128102642.db2.gz IEEMJIUELRGJHU-GOSISDBHSA-N 0 1 296.370 3.543 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@H](C)c1cn2c(n1)CCCC2 ZINC000924543400 1128103481 /nfs/dbraw/zinc/10/34/81/1128103481.db2.gz QGSRCFCEDRNMRJ-LSDHHAIUSA-N 0 1 283.419 3.940 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc2c1OCO2)c1cccs1 ZINC000924548191 1128103729 /nfs/dbraw/zinc/10/37/29/1128103729.db2.gz FAVPTFNUAGFYDY-QWRGUYRKSA-N 0 1 275.373 3.889 20 0 CHADMN C[C@@H](NCc1ccccc1)c1ccnn1CC1CCC1 ZINC000924544294 1128103940 /nfs/dbraw/zinc/10/39/40/1128103940.db2.gz XRFUITWSDQYYQA-CQSZACIVSA-N 0 1 269.392 3.534 20 0 CHADMN Fc1cccc(CN[C@@H]2CCc3c2nccc3Cl)c1 ZINC000924610025 1128107466 /nfs/dbraw/zinc/10/74/66/1128107466.db2.gz ORIUFRKZBCCVRY-CQSZACIVSA-N 0 1 276.742 3.651 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2occc21)c1cccc(OC)n1 ZINC000924643139 1128108952 /nfs/dbraw/zinc/10/89/52/1128108952.db2.gz IDTUMKJJWJCICT-UONOGXRCSA-N 0 1 286.375 3.802 20 0 CHADMN CC(C)Oc1cccc([C@H](C)N[C@H](C)c2ccnnc2)c1 ZINC000924680590 1128109978 /nfs/dbraw/zinc/10/99/78/1128109978.db2.gz GAANVRIBNYHJLL-UONOGXRCSA-N 0 1 285.391 3.676 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)N[C@@H](C)c1ccnnc1 ZINC000924691810 1128110080 /nfs/dbraw/zinc/11/00/80/1128110080.db2.gz HUHOONJOPVDQBP-UONOGXRCSA-N 0 1 285.391 3.676 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)c1cnnn1C ZINC000924710557 1128110618 /nfs/dbraw/zinc/11/06/18/1128110618.db2.gz LVLMXORHNBWGEQ-QWHCGFSZSA-N 0 1 286.423 3.524 20 0 CHADMN C[C@H](NCCc1ccccc1C(F)(F)F)c1ncco1 ZINC000924741357 1128111506 /nfs/dbraw/zinc/11/15/06/1128111506.db2.gz IREMEHGDNHQBOK-JTQLQIEISA-N 0 1 284.281 3.587 20 0 CHADMN C[C@@H](NCc1ccc([C@H](C)O)cc1)c1cnn(C2CCC2)c1 ZINC000924763180 1128112271 /nfs/dbraw/zinc/11/22/71/1128112271.db2.gz QAAJKRJLSYWGKD-KGLIPLIRSA-N 0 1 299.418 3.512 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccns1 ZINC000924844980 1128114853 /nfs/dbraw/zinc/11/48/53/1128114853.db2.gz CQUVCAUBEPEYLV-DUVNUKRYSA-N 0 1 288.416 3.714 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]1C)c1ncc(C(F)(F)F)cc1Cl ZINC000924952991 1128117280 /nfs/dbraw/zinc/11/72/80/1128117280.db2.gz YPNNEDBKKLYUNI-MATHAZKKSA-N 0 1 278.705 3.813 20 0 CHADMN C[C@@H](N[C@H]1CCc2c1cccc2O)c1ccnn1C1CCC1 ZINC000924966767 1128117872 /nfs/dbraw/zinc/11/78/72/1128117872.db2.gz GNQXGBFRLOMHKX-WBMJQRKESA-N 0 1 297.402 3.652 20 0 CHADMN Clc1ccnc2c1CC[C@@H]2N[C@@H]1CCCc2[nH]ccc21 ZINC000925229188 1128126435 /nfs/dbraw/zinc/12/64/35/1128126435.db2.gz SSPCJRWNYRCIPH-CABCVRRESA-N 0 1 287.794 3.718 20 0 CHADMN Cc1cccc([C@H](NC[C@@]2(C)CCCO2)c2ccccn2)c1 ZINC000925250172 1128126892 /nfs/dbraw/zinc/12/68/92/1128126892.db2.gz SHOMSYKYRYRXNN-RBUKOAKNSA-N 0 1 296.414 3.638 20 0 CHADMN Cc1ccc([C@@H](C)NCc2nc3c(s2)CCC3)s1 ZINC000093065097 1128127242 /nfs/dbraw/zinc/12/72/42/1128127242.db2.gz DPTCWRUNSILYOT-SNVBAGLBSA-N 0 1 278.446 3.853 20 0 CHADMN CC=C(C=CC(=O)Nc1cc2cn[nH]c2cc1C)CC ZINC000493192156 1128127919 /nfs/dbraw/zinc/12/79/19/1128127919.db2.gz CYLPRBKELDKPCA-GJQNCLFESA-N 0 1 269.348 3.722 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2ccc(CF)cc2)on1 ZINC000777558210 1128128086 /nfs/dbraw/zinc/12/80/86/1128128086.db2.gz TTYMMCTUCZLODR-OAHLLOKOSA-N 0 1 274.339 3.790 20 0 CHADMN CC1(C)C[C@@H](CNc2cc(OCc3ccccc3)ccn2)O1 ZINC001168450450 1128130851 /nfs/dbraw/zinc/13/08/51/1128130851.db2.gz AWCJSRPKLHZFDG-INIZCTEOSA-N 0 1 298.386 3.640 20 0 CHADMN Cc1ccc2c(ccnc2NC[C@@H]2CC(C)(C)O2)c1 ZINC001168450237 1128131131 /nfs/dbraw/zinc/13/11/31/1128131131.db2.gz JZIIXOCQYCPTIU-ZDUSSCGKSA-N 0 1 256.349 3.523 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c[nH]nc21)c1coc2ccccc12 ZINC000925548961 1128131609 /nfs/dbraw/zinc/13/16/09/1128131609.db2.gz DIZJRZQDPVBNBG-XHDPSFHLSA-N 0 1 281.359 3.884 20 0 CHADMN CCN(c1ccc(N[C@@H]2C[C@H](C)n3ncnc32)cc1)C(C)C ZINC000925734399 1128138897 /nfs/dbraw/zinc/13/88/97/1128138897.db2.gz OSLMGUBUGQJQPM-XJKSGUPXSA-N 0 1 299.422 3.631 20 0 CHADMN CC[C@@H](c1ccsc1)N1CCOc2ccc(N)cc2C1 ZINC000925755208 1128140430 /nfs/dbraw/zinc/14/04/30/1128140430.db2.gz VCIMNZKPAGKSEY-HNNXBMFYSA-N 0 1 288.416 3.676 20 0 CHADMN C[C@H](N[C@@H](C)C1(Cl)CC1)c1cccc(F)c1F ZINC000925666625 1128136213 /nfs/dbraw/zinc/13/62/13/1128136213.db2.gz UJEDGXNDLPUOHX-IUCAKERBSA-N 0 1 259.727 3.775 20 0 CHADMN C[C@@H](NC[C@@]1(C)CCCc2ccccc21)c1ncco1 ZINC000925685078 1128137011 /nfs/dbraw/zinc/13/70/11/1128137011.db2.gz FNPMVHVXHHELJP-CXAGYDPISA-N 0 1 270.376 3.619 20 0 CHADMN C[C@H](NC[C@]1(C)CCCc2ccccc21)c1ncco1 ZINC000925685080 1128137113 /nfs/dbraw/zinc/13/71/13/1128137113.db2.gz FNPMVHVXHHELJP-GUYCJALGSA-N 0 1 270.376 3.619 20 0 CHADMN CCc1nnc([C@H](C)N[C@H]2CCC[C@@H]2Cc2ccccc2)o1 ZINC000493540777 1128142475 /nfs/dbraw/zinc/14/24/75/1128142475.db2.gz CHWIEIHCDAVPEK-IMJJTQAJSA-N 0 1 299.418 3.694 20 0 CHADMN CCSc1ccccc1C[C@H](C)NCc1cocn1 ZINC000925869007 1128144392 /nfs/dbraw/zinc/14/43/92/1128144392.db2.gz IXACHYGENROWTP-LBPRGKRZSA-N 0 1 276.405 3.507 20 0 CHADMN CCC(CC)N(Cc1ccccn1)Cc1ccccn1 ZINC001257293639 1128148016 /nfs/dbraw/zinc/14/80/16/1128148016.db2.gz AZFOVBFWSHBOHY-UHFFFAOYSA-N 0 1 269.392 3.667 20 0 CHADMN COc1ccc(Cl)c(CN2CCS[C@H](C)CC2)c1 ZINC000494091078 1128155369 /nfs/dbraw/zinc/15/53/69/1128155369.db2.gz WUNDCUSDGJWEHL-LLVKDONJSA-N 0 1 285.840 3.676 20 0 CHADMN COc1ccc(CN2CCS[C@H](C)CC2)c(Cl)c1 ZINC000494089314 1128155935 /nfs/dbraw/zinc/15/59/35/1128155935.db2.gz MELBWVCREVOJEU-LLVKDONJSA-N 0 1 285.840 3.676 20 0 CHADMN C[C@H]1CCN(Cc2cc(Cl)cc3c2OCC3)CCS1 ZINC000494125981 1128156470 /nfs/dbraw/zinc/15/64/70/1128156470.db2.gz MATRYOKTJNPRCQ-NSHDSACASA-N 0 1 297.851 3.602 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2CCC[C@@H]1C)c1cn(C)cn1 ZINC000926177461 1128158706 /nfs/dbraw/zinc/15/87/06/1128158706.db2.gz LHENWFBKBOOGMK-SUNYJGFJSA-N 0 1 283.419 3.784 20 0 CHADMN CCSc1cc(CN[C@H](C)c2ccns2)ccn1 ZINC000926226758 1128161989 /nfs/dbraw/zinc/16/19/89/1128161989.db2.gz NQQIMMRVYIORIR-SNVBAGLBSA-N 0 1 279.434 3.501 20 0 CHADMN CC(C)CCCN[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000542477309 1128162138 /nfs/dbraw/zinc/16/21/38/1128162138.db2.gz GWCJUOMWBCPKPM-QGZVFWFLSA-N 0 1 287.382 3.731 20 0 CHADMN C[C@H](c1ccc(-c2ccccc2)cc1)N(C)CC1OCCO1 ZINC000777591006 1128163877 /nfs/dbraw/zinc/16/38/77/1128163877.db2.gz SCKGYANWWSTAKW-OAHLLOKOSA-N 0 1 297.398 3.719 20 0 CHADMN FC(F)(CN[C@@H](C1CCC1)[C@H]1CCOC1)c1ccccc1 ZINC000926258031 1128164149 /nfs/dbraw/zinc/16/41/49/1128164149.db2.gz DZMBWANRGKIDJL-HOCLYGCPSA-N 0 1 295.373 3.573 20 0 CHADMN C[C@H](NCC[C@@H]1C[C@@H](C)CC(C)(C)C1)c1cc(CO)on1 ZINC000926292292 1128165689 /nfs/dbraw/zinc/16/56/89/1128165689.db2.gz YWFDBLIQNCIPRF-HZSPNIEDSA-N 0 1 294.439 3.670 20 0 CHADMN COc1cccc([C@H](C)N[C@H](C)c2cncc(F)c2)c1 ZINC000222236291 1128168026 /nfs/dbraw/zinc/16/80/26/1128168026.db2.gz OVJZYBPTUGONNS-NWDGAFQWSA-N 0 1 274.339 3.641 20 0 CHADMN C[N@@H+](CCCF)Cc1cc(Br)ccc1Cl ZINC000494280114 1128168938 /nfs/dbraw/zinc/16/89/38/1128168938.db2.gz RKZVCBAMLWQCHI-UHFFFAOYSA-N 0 1 294.595 3.894 20 0 CHADMN CN(CCCF)Cc1cc(Br)ccc1Cl ZINC000494280114 1128168940 /nfs/dbraw/zinc/16/89/40/1128168940.db2.gz RKZVCBAMLWQCHI-UHFFFAOYSA-N 0 1 294.595 3.894 20 0 CHADMN OCC[N@@H+](Cc1cc2ccccc2o1)Cc1cccc(F)c1 ZINC000494291501 1128168980 /nfs/dbraw/zinc/16/89/80/1128168980.db2.gz XCHDTTLZOUSFRV-UHFFFAOYSA-N 0 1 299.345 3.566 20 0 CHADMN OCCN(Cc1cc2ccccc2o1)Cc1cccc(F)c1 ZINC000494291501 1128168982 /nfs/dbraw/zinc/16/89/82/1128168982.db2.gz XCHDTTLZOUSFRV-UHFFFAOYSA-N 0 1 299.345 3.566 20 0 CHADMN CC(F)(F)CCN[C@H]1COCc2cccc(Cl)c21 ZINC000926495428 1128175456 /nfs/dbraw/zinc/17/54/56/1128175456.db2.gz QZIBIZISHFDSOD-NSHDSACASA-N 0 1 275.726 3.546 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](C)N[C@H](C)c1cn[nH]c1 ZINC000222482797 1128177500 /nfs/dbraw/zinc/17/75/00/1128177500.db2.gz DOZGAGUVLMPQIA-VXGBXAGGSA-N 0 1 269.348 3.876 20 0 CHADMN Cc1csc(CN[C@@H]2CCc3c2nccc3Cl)c1 ZINC000926522586 1128178229 /nfs/dbraw/zinc/17/82/29/1128178229.db2.gz YIBOROVMRMZLNF-CYBMUJFWSA-N 0 1 278.808 3.882 20 0 CHADMN Clc1ccnc2c1CC[C@@H]2NCCOCC1CCCC1 ZINC000926555105 1128180907 /nfs/dbraw/zinc/18/09/07/1128180907.db2.gz CCPAWLHIUXJDBN-HNNXBMFYSA-N 0 1 294.826 3.519 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2N[C@@H]1C[C@H]1c1ccccc1F ZINC000926569698 1128181528 /nfs/dbraw/zinc/18/15/28/1128181528.db2.gz SQJXIDUWHUZVKA-NWANDNLSSA-N 0 1 286.350 3.645 20 0 CHADMN CCCCCCNC(=O)CN[C@H](C)c1cc(C)sc1C ZINC000754123835 1128198325 /nfs/dbraw/zinc/19/83/25/1128198325.db2.gz BMDYWKREWVJLJF-CYBMUJFWSA-N 0 1 296.480 3.712 20 0 CHADMN COc1cc([C@H](C)NCc2cccc3ccsc32)on1 ZINC000926643391 1128185585 /nfs/dbraw/zinc/18/55/85/1128185585.db2.gz RTYUDMAFILOVPK-JTQLQIEISA-N 0 1 288.372 3.749 20 0 CHADMN Cc1cccc([C@@H](N[C@@H]2C=CCC2)c2ccccn2)c1 ZINC000926689854 1128187860 /nfs/dbraw/zinc/18/78/60/1128187860.db2.gz MAXPBYQLCCJJBK-SJLPKXTDSA-N 0 1 264.372 3.788 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1)c1cccc2cn[nH]c21 ZINC000494730439 1128188545 /nfs/dbraw/zinc/18/85/45/1128188545.db2.gz VEIWUOKYBPBDDI-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1cnn(C2CCC2)c1 ZINC000926708426 1128189035 /nfs/dbraw/zinc/18/90/35/1128189035.db2.gz GUQSZRQCVZFCSF-XIKOKIGWSA-N 0 1 297.402 3.652 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2ccc(Cl)cc21)c1cn(C)cn1 ZINC000926776155 1128193413 /nfs/dbraw/zinc/19/34/13/1128193413.db2.gz POJMKVHRCSIPJM-IAQYHMDHSA-N 0 1 289.810 3.802 20 0 CHADMN C[C@H](NCCc1c[nH]c2c1cccc2Cl)c1ncco1 ZINC000926774312 1128193705 /nfs/dbraw/zinc/19/37/05/1128193705.db2.gz LHVNXXXDAQKMRX-JTQLQIEISA-N 0 1 289.766 3.703 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1cnn(C2CCC2)c1 ZINC000926783857 1128194339 /nfs/dbraw/zinc/19/43/39/1128194339.db2.gz BKHSMRNQOOHEAH-TUKIKUTGSA-N 0 1 265.376 3.539 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(C(C)(C)O)cc2)o1 ZINC000926789879 1128195085 /nfs/dbraw/zinc/19/50/85/1128195085.db2.gz WKUMBLOYAVOXAI-ZDUSSCGKSA-N 0 1 273.376 3.666 20 0 CHADMN FC(F)(F)[C@@H]1C[C@H]1N[C@H]1CCCc2c(Cl)ccnc21 ZINC000926799314 1128195473 /nfs/dbraw/zinc/19/54/73/1128195473.db2.gz RAQOVNGCPILACA-DVVUODLYSA-N 0 1 290.716 3.653 20 0 CHADMN COc1ccc2c(c1)OCC[N@@H+]([C@H](C)c1ccccc1)C2 ZINC000670097226 1128195589 /nfs/dbraw/zinc/19/55/89/1128195589.db2.gz DUHQSLGZNUQAAL-CQSZACIVSA-N 0 1 283.371 3.651 20 0 CHADMN COc1ccc2c(c1)OCCN([C@H](C)c1ccccc1)C2 ZINC000670097226 1128195590 /nfs/dbraw/zinc/19/55/90/1128195590.db2.gz DUHQSLGZNUQAAL-CQSZACIVSA-N 0 1 283.371 3.651 20 0 CHADMN Fc1cc2c(c(F)c1)CC[C@@H]2NCc1ccccc1F ZINC000154508274 1128244113 /nfs/dbraw/zinc/24/41/13/1128244113.db2.gz MVCYCADSUXIHPZ-INIZCTEOSA-N 0 1 277.289 3.881 20 0 CHADMN CC[C@H]1CCC[C@@H]1Nc1ccc(CN(C)C)c(F)c1 ZINC000777702818 1128246405 /nfs/dbraw/zinc/24/64/05/1128246405.db2.gz UKMBYHSWOZJQPW-LRDDRELGSA-N 0 1 264.388 3.878 20 0 CHADMN FCc1ccc(C[N@H+]2CCc3ccsc3C2)cc1 ZINC000777712249 1128252882 /nfs/dbraw/zinc/25/28/82/1128252882.db2.gz FKAXYYPWIMRHJH-UHFFFAOYSA-N 0 1 261.365 3.776 20 0 CHADMN FCc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000777712379 1128253372 /nfs/dbraw/zinc/25/33/72/1128253372.db2.gz ADODYILZGMUMHZ-QGZVFWFLSA-N 0 1 270.351 3.888 20 0 CHADMN COC[C@H](NCc1ccc(CF)cc1)c1ccccc1 ZINC000777719952 1128254979 /nfs/dbraw/zinc/25/49/79/1128254979.db2.gz GRABPRLAALHIQC-KRWDZBQOSA-N 0 1 273.351 3.633 20 0 CHADMN CCc1onc(C)c1CN(Cc1ccccc1)C1CC1 ZINC000929167966 1128261914 /nfs/dbraw/zinc/26/19/14/1128261914.db2.gz XFBKESSDHTWSGD-UHFFFAOYSA-N 0 1 270.376 3.710 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCc2cccc(F)c2)no1 ZINC000929184558 1128262779 /nfs/dbraw/zinc/26/27/79/1128262779.db2.gz BVSMPOMUESGBRD-INIZCTEOSA-N 0 1 274.339 3.502 20 0 CHADMN C(c1nc2c(s1)CCCC2)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000648762083 1128263111 /nfs/dbraw/zinc/26/31/11/1128263111.db2.gz MFWRMXNLHHNAMR-SUMWQHHRSA-N 0 1 288.460 3.642 20 0 CHADMN CCOc1ccc(CN(C)[C@@H](C)c2ccc(F)nc2)cc1 ZINC000929209429 1128263751 /nfs/dbraw/zinc/26/37/51/1128263751.db2.gz QCECMAABAAUGDR-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN C[C@@H](N[C@H](c1ccccn1)C1CC1)c1ccnn1C1CCC1 ZINC000926895098 1128200277 /nfs/dbraw/zinc/20/02/77/1128200277.db2.gz DBVVUBLWENSHJS-ACJLOTCBSA-N 0 1 296.418 3.805 20 0 CHADMN C[C@H](N[C@H](c1ccccn1)C1CC1)c1ccnn1C1CCC1 ZINC000926895101 1128200684 /nfs/dbraw/zinc/20/06/84/1128200684.db2.gz DBVVUBLWENSHJS-UGSOOPFHSA-N 0 1 296.418 3.805 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(F)cc2C)c(C)o1 ZINC000754147320 1128200958 /nfs/dbraw/zinc/20/09/58/1128200958.db2.gz CDNQTPIQDHNKTC-UHFFFAOYSA-N 0 1 261.340 3.976 20 0 CHADMN Cc1cc(C(C)(C)C)cc(C)c1CN1CC[C@](F)(CO)C1 ZINC000670111809 1128203733 /nfs/dbraw/zinc/20/37/33/1128203733.db2.gz MTOIWMYWLPMVBM-GOSISDBHSA-N 0 1 293.426 3.507 20 0 CHADMN CCc1ccc2ccccc2c1CN[C@H](C)c1cn(C)cn1 ZINC000926933728 1128204131 /nfs/dbraw/zinc/20/41/31/1128204131.db2.gz YESJZSFGNRDGNK-CQSZACIVSA-N 0 1 293.414 3.987 20 0 CHADMN CCc1ncc(CN(Cc2ccccc2)C(C)C)o1 ZINC000929245889 1128265676 /nfs/dbraw/zinc/26/56/76/1128265676.db2.gz HGMPGZBTHBWNSV-UHFFFAOYSA-N 0 1 258.365 3.648 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1ncc(C)cc1C ZINC000926958402 1128206049 /nfs/dbraw/zinc/20/60/49/1128206049.db2.gz DKBGUQIFQQRKBT-GFCCVEGCSA-N 0 1 276.405 3.619 20 0 CHADMN Cc1cc([C@H]2CCCN2[C@H](C)Cc2cccc(F)c2)no1 ZINC001168473043 1128207916 /nfs/dbraw/zinc/20/79/16/1128207916.db2.gz BXDHTBHAQJLDCO-SJKOYZFVSA-N 0 1 288.366 3.890 20 0 CHADMN C[C@H](NC[C@@H]1CCCC2(CCC2)O1)c1cccnc1Cl ZINC000927020418 1128208860 /nfs/dbraw/zinc/20/88/60/1128208860.db2.gz VJHJSTZPDSXUDE-STQMWFEESA-N 0 1 294.826 3.877 20 0 CHADMN CCCC[N@@H+](CC)Cn1ccn(C(C)C)c1=S ZINC000914567330 1128211552 /nfs/dbraw/zinc/21/15/52/1128211552.db2.gz QFSJCYCRYJDSOT-UHFFFAOYSA-N 0 1 255.431 3.679 20 0 CHADMN CCCCN(CC)Cn1ccn(C(C)C)c1=S ZINC000914567330 1128211555 /nfs/dbraw/zinc/21/15/55/1128211555.db2.gz QFSJCYCRYJDSOT-UHFFFAOYSA-N 0 1 255.431 3.679 20 0 CHADMN C[C@H](N[C@H]1CCCc2cccnc21)c1ccnn1C1CCC1 ZINC000927061194 1128212141 /nfs/dbraw/zinc/21/21/41/1128212141.db2.gz CKAHQFXCGXKXGZ-BBRMVZONSA-N 0 1 296.418 3.731 20 0 CHADMN C[C@@H](N[C@H]1CCCc2cccnc21)c1ccccc1N(C)C ZINC000927062560 1128213169 /nfs/dbraw/zinc/21/31/69/1128213169.db2.gz JPAHDBBSSUWRLE-PBHICJAKSA-N 0 1 295.430 3.876 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1cc(F)cc(F)c1)c1cnn(C)c1 ZINC000927064965 1128214121 /nfs/dbraw/zinc/21/41/21/1128214121.db2.gz BUAVWQPIIJRLTL-MEDUHNTESA-N 0 1 293.361 3.746 20 0 CHADMN C[C@H](Cc1cccc(F)c1)N1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001168474436 1128214580 /nfs/dbraw/zinc/21/45/80/1128214580.db2.gz LLODNKNBRWSDIE-XYPHTWIQSA-N 0 1 289.394 3.590 20 0 CHADMN CCC[C@@H](NCc1cccc2c1OCC2)c1cc(C)ccn1 ZINC000927089990 1128216639 /nfs/dbraw/zinc/21/66/39/1128216639.db2.gz JWVSTJPTYAPYNZ-QGZVFWFLSA-N 0 1 296.414 3.956 20 0 CHADMN CCC[C@H](NCc1cccc2c1OCC2)c1cc(C)ccn1 ZINC000927089989 1128216737 /nfs/dbraw/zinc/21/67/37/1128216737.db2.gz JWVSTJPTYAPYNZ-KRWDZBQOSA-N 0 1 296.414 3.956 20 0 CHADMN CCSc1ccc([C@H](C)NCc2cnc(C)cn2)cc1 ZINC001168474252 1128217433 /nfs/dbraw/zinc/21/74/33/1128217433.db2.gz ILVAVZWWYJGIBW-ZDUSSCGKSA-N 0 1 287.432 3.748 20 0 CHADMN CC[C@@H](NCc1cc(C2CC2)nn1C)c1ccccc1F ZINC000927098240 1128217585 /nfs/dbraw/zinc/21/75/85/1128217585.db2.gz GNDDBLVDSRUJNB-MRXNPFEDSA-N 0 1 287.382 3.678 20 0 CHADMN CC[C@H]1CO[C@@H](C)CN1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929270533 1128266694 /nfs/dbraw/zinc/26/66/94/1128266694.db2.gz OSMCJGDROYARKY-ARLBYUKCSA-N 0 1 295.373 3.535 20 0 CHADMN CCc1onc(C)c1CN[C@@H]1CCCNc2ccccc21 ZINC000927134135 1128221337 /nfs/dbraw/zinc/22/13/37/1128221337.db2.gz HVTXDUAKSWYEBU-MRXNPFEDSA-N 0 1 285.391 3.582 20 0 CHADMN CCc1onc(C)c1CN[C@@H](C)c1ccc(F)cc1 ZINC000927141461 1128222171 /nfs/dbraw/zinc/22/21/71/1128222171.db2.gz SGWAXZGHKQMCNI-JTQLQIEISA-N 0 1 262.328 3.535 20 0 CHADMN CCc1onc(C)c1CN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000927140096 1128222422 /nfs/dbraw/zinc/22/24/22/1128222422.db2.gz OFCKWEPUJFRNLV-QGZVFWFLSA-N 0 1 288.366 3.925 20 0 CHADMN CC(C)c1ccc(C[N@@H+](CC(=O)[O-])C2CCCC2)cc1 ZINC000032121871 1128223503 /nfs/dbraw/zinc/22/35/03/1128223503.db2.gz AROXRBIBYIGEDG-UHFFFAOYSA-N 0 1 275.392 3.639 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@@H](C)C(C)C)n[nH]2)c(C)c1 ZINC000495011669 1128223740 /nfs/dbraw/zinc/22/37/40/1128223740.db2.gz ZYEWNKFTRPBYGX-AWEZNQCLSA-N 0 1 299.418 3.810 20 0 CHADMN Oc1ccc(C2=CCN(C/C=C/c3ccncc3)CC2)cc1 ZINC000495054786 1128226711 /nfs/dbraw/zinc/22/67/11/1128226711.db2.gz WVUGIWMUYDOEMO-OWOJBTEDSA-N 0 1 292.382 3.590 20 0 CHADMN O=c1cc(-c2ccc(F)cc2)[nH]n1-c1cccc(F)c1 ZINC001245918386 1131242841 /nfs/dbraw/zinc/24/28/41/1131242841.db2.gz SSDULBZONANROJ-UHFFFAOYSA-N 0 1 272.254 3.523 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cc(C)nnc2C)c(C)c1 ZINC000929326533 1128269903 /nfs/dbraw/zinc/26/99/03/1128269903.db2.gz UPQZKDCBOCFIAN-MRXNPFEDSA-N 0 1 283.419 3.903 20 0 CHADMN CCc1ncc(CN(Cc2ccccc2C)C2CC2)o1 ZINC000929368819 1128271617 /nfs/dbraw/zinc/27/16/17/1128271617.db2.gz QHJSHINFWUNXPY-UHFFFAOYSA-N 0 1 270.376 3.710 20 0 CHADMN Cc1cc(-c2noc(C[C@@H](C)C3CC3)n2)cc2nc[nH]c21 ZINC000762171092 1128276245 /nfs/dbraw/zinc/27/62/45/1128276245.db2.gz CPRCMAMSRMQYIQ-SECBINFHSA-N 0 1 282.347 3.510 20 0 CHADMN C[C@H](c1ncccn1)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000929716382 1128283581 /nfs/dbraw/zinc/28/35/81/1128283581.db2.gz YVFNLAKWWZSPPY-INMHGKMJSA-N 0 1 281.403 3.663 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CC[C@H]1Cc1ccccc1 ZINC000929813930 1128289559 /nfs/dbraw/zinc/28/95/59/1128289559.db2.gz HIUAEEPORWHDFX-BBRMVZONSA-N 0 1 270.351 3.599 20 0 CHADMN CCCCCC[C@H](C)N1CCc2cnc(SC)nc2C1 ZINC001257372894 1128284417 /nfs/dbraw/zinc/28/44/17/1128284417.db2.gz QQLFTKPQFFVMHC-ZDUSSCGKSA-N 0 1 293.480 3.916 20 0 CHADMN CC(C)N(CC1CC1)CN1c2cccc3cccc(c23)C1=O ZINC000915207592 1128291492 /nfs/dbraw/zinc/29/14/92/1128291492.db2.gz DLHMOTMKTJKAII-UHFFFAOYSA-N 0 1 294.398 3.878 20 0 CHADMN C[C@@H](c1ccccc1)N(Cc1cnn(CCF)c1)C1CC1 ZINC000929906249 1128292917 /nfs/dbraw/zinc/29/29/17/1128292917.db2.gz RIFVLNSTKICDHH-AWEZNQCLSA-N 0 1 287.382 3.578 20 0 CHADMN FCc1ccccc1CN1CC=C(C(F)(F)F)CC1 ZINC000930098505 1128299968 /nfs/dbraw/zinc/29/99/68/1128299968.db2.gz IGTXWMXWJAPRKR-UHFFFAOYSA-N 0 1 273.273 3.851 20 0 CHADMN Cc1nc(C(C)C)sc1[C@H](C)N(C)CCOC1CC1 ZINC000930096040 1128300502 /nfs/dbraw/zinc/30/05/02/1128300502.db2.gz OOSJFVYFRXOSRC-LBPRGKRZSA-N 0 1 282.453 3.747 20 0 CHADMN CC(C)(C)/C=C\C(=O)Nc1cccc(-c2cn[nH]c2)c1 ZINC000762393438 1128295886 /nfs/dbraw/zinc/29/58/86/1128295886.db2.gz JEHFRXZTJNIUOZ-FPLPWBNLSA-N 0 1 269.348 3.618 20 0 CHADMN C[C@H](N[C@H]1CCC[C@H](C2CC2)C1)c1nc(C(C)(C)C)no1 ZINC000262439944 1128297857 /nfs/dbraw/zinc/29/78/57/1128297857.db2.gz PQTDOQBUVCWHJC-UBHSHLNASA-N 0 1 291.439 3.987 20 0 CHADMN CCCCc1nc2ccc(NC(=O)[C@@H]3CCC=CO3)cc2[nH]1 ZINC000777868411 1128299045 /nfs/dbraw/zinc/29/90/45/1128299045.db2.gz VKBFCWACHVXUKU-HNNXBMFYSA-N 0 1 299.374 3.537 20 0 CHADMN CC(C)(C)OC1CCN(Cc2ccc(C(F)F)nc2)CC1 ZINC000637967744 1128309794 /nfs/dbraw/zinc/30/97/94/1128309794.db2.gz FAKFRXVSQRJUMN-UHFFFAOYSA-N 0 1 298.377 3.799 20 0 CHADMN Cc1nnsc1[C@@H](C)N[C@H](c1ccccc1)C1CC1 ZINC000930238467 1128310421 /nfs/dbraw/zinc/31/04/21/1128310421.db2.gz DWHZZAPBIOTBSS-QMTHXVAHSA-N 0 1 273.405 3.648 20 0 CHADMN CC(=O)Oc1ccc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)cc1 ZINC000762632438 1128311717 /nfs/dbraw/zinc/31/17/17/1128311717.db2.gz QGVPTRGIBPCBRH-AWEZNQCLSA-N 0 1 295.382 3.731 20 0 CHADMN COC(C)(C)[C@@H]1CCCN1Cc1c(F)cc(C)cc1F ZINC001235202960 1128314107 /nfs/dbraw/zinc/31/41/07/1128314107.db2.gz RJGMWOWNWDOSOE-HNNXBMFYSA-N 0 1 283.362 3.663 20 0 CHADMN Cc1nnsc1[C@H](C)N1CCC=C(c2ccccc2)C1 ZINC000930376526 1128315994 /nfs/dbraw/zinc/31/59/94/1128315994.db2.gz OTWQPDLCMYFKSR-ZDUSSCGKSA-N 0 1 285.416 3.697 20 0 CHADMN CC[C@@H](c1cccc(OC)c1)N(C)Cc1[nH]c(C)nc1C ZINC000930497309 1128322084 /nfs/dbraw/zinc/32/20/84/1128322084.db2.gz YPRQWEVBKSQQIL-KRWDZBQOSA-N 0 1 287.407 3.618 20 0 CHADMN Clc1cccc(Cl)c1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000236036812 1128317368 /nfs/dbraw/zinc/31/73/68/1128317368.db2.gz LLMHEDRGDPAUOK-KGLIPLIRSA-N 0 1 286.202 3.651 20 0 CHADMN C[C@H](NC[C@H]1CCCC2(CCC2)O1)c1c(F)cncc1F ZINC000930474381 1128320712 /nfs/dbraw/zinc/32/07/12/1128320712.db2.gz MXYLUXUKLPADRR-NWDGAFQWSA-N 0 1 296.361 3.502 20 0 CHADMN Fc1cccc(CN[C@@H]2CCc3c2cc(F)cc3F)c1 ZINC000154569280 1128321027 /nfs/dbraw/zinc/32/10/27/1128321027.db2.gz BIBSBCRWBVVNRL-MRXNPFEDSA-N 0 1 277.289 3.881 20 0 CHADMN CCCC[C@H](C)N(CCCC)Cc1nncs1 ZINC000930583821 1128326733 /nfs/dbraw/zinc/32/67/33/1128326733.db2.gz YVXAXCKCQMFECZ-LBPRGKRZSA-N 0 1 255.431 3.719 20 0 CHADMN CCc1ccc([C@@H]2CCN([C@@H](C)c3ncccn3)C2)cc1 ZINC000930565256 1128325558 /nfs/dbraw/zinc/32/55/58/1128325558.db2.gz UJFOJAIARDZVNZ-WMLDXEAASA-N 0 1 281.403 3.590 20 0 CHADMN CCC[C@@H](C)CC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000561502581 1128334166 /nfs/dbraw/zinc/33/41/66/1128334166.db2.gz OHTPGRGIUBFAQU-SNVBAGLBSA-N 0 1 259.353 3.636 20 0 CHADMN CCCCO[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001205148781 1128327539 /nfs/dbraw/zinc/32/75/39/1128327539.db2.gz NVPRSNQKGMQLGE-OAHLLOKOSA-N 0 1 265.372 3.607 20 0 CHADMN COC/C(C)=C/CN1CCC[C@@H]1c1ccc(F)cc1F ZINC000930665247 1128329986 /nfs/dbraw/zinc/32/99/86/1128329986.db2.gz WKYNELGULFBZKV-NYUWMOHMSA-N 0 1 281.346 3.694 20 0 CHADMN CC(C)(C)c1nc(CN2CC[C@@H](C3CCC3)C2)co1 ZINC000930737836 1128332758 /nfs/dbraw/zinc/33/27/58/1128332758.db2.gz FQECTIPVEUICDA-CYBMUJFWSA-N 0 1 262.397 3.594 20 0 CHADMN CCc1onc(C)c1CN1CCC(c2ccco2)CC1 ZINC000930925009 1128340057 /nfs/dbraw/zinc/34/00/57/1128340057.db2.gz XYGODFABTIBBEW-UHFFFAOYSA-N 0 1 274.364 3.518 20 0 CHADMN CC[C@H]1CCCCN1Cc1nccc(C)c1Cl ZINC001235586707 1128342193 /nfs/dbraw/zinc/34/21/93/1128342193.db2.gz VFSSXLNNADAGHC-LBPRGKRZSA-N 0 1 252.789 3.808 20 0 CHADMN CCC[C@@H](CC)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000930980230 1128343170 /nfs/dbraw/zinc/34/31/70/1128343170.db2.gz VGDJGONXGQEHAX-SECBINFHSA-N 0 1 295.333 3.809 20 0 CHADMN Cc1cc(C)c(CNCc2cccc(Cl)c2F)cn1 ZINC000397499786 1128361030 /nfs/dbraw/zinc/36/10/30/1128361030.db2.gz QPYTWECSIBQECK-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CCC(c2ncco2)CC1 ZINC000931451697 1128361722 /nfs/dbraw/zinc/36/17/22/1128361722.db2.gz NLFPFYQDGWFLBD-GFCCVEGCSA-N 0 1 274.339 3.754 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccccc2CF)s1 ZINC000931468701 1128362931 /nfs/dbraw/zinc/36/29/31/1128362931.db2.gz ZRQOYUGEPYCDLK-SNVBAGLBSA-N 0 1 264.369 3.772 20 0 CHADMN CC(C)(C)c1nc(CNC2(CO)CCCCCCC2)co1 ZINC000931534905 1128367054 /nfs/dbraw/zinc/36/70/54/1128367054.db2.gz LFOLUQYGGUENBR-UHFFFAOYSA-N 0 1 294.439 3.537 20 0 CHADMN Cc1cccc2nc(CN3CCC4(CCCC4)CC3)cn21 ZINC000561983720 1128368337 /nfs/dbraw/zinc/36/83/37/1128368337.db2.gz RXBNPVBSFPLEOQ-UHFFFAOYSA-N 0 1 283.419 3.799 20 0 CHADMN CCCCCC[C@H](C)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000763190446 1128370119 /nfs/dbraw/zinc/37/01/19/1128370119.db2.gz YLKJVMAKDSRAAC-STQMWFEESA-N 0 1 294.443 3.712 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2csc(-c3ccco3)n2)C1 ZINC000055472399 1128370616 /nfs/dbraw/zinc/37/06/16/1128370616.db2.gz ASIMWDVZQRAOFK-VXGBXAGGSA-N 0 1 276.405 3.881 20 0 CHADMN C[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(F)cc1Cl ZINC000562056751 1128374705 /nfs/dbraw/zinc/37/47/05/1128374705.db2.gz VGWAQPRPNZGKCC-IHBFAXJASA-N 0 1 263.690 3.783 20 0 CHADMN C(=C/c1ccccc1)\CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000562059189 1128375202 /nfs/dbraw/zinc/37/52/02/1128375202.db2.gz DHOUQQZLFOVHLW-SDDHYBKLSA-N 0 1 283.415 3.733 20 0 CHADMN C[C@@H](CN(C)Cc1nccn1CC(F)(F)F)C(C)(C)C ZINC000670263402 1128375937 /nfs/dbraw/zinc/37/59/37/1128375937.db2.gz JCHBSHPBERYBDE-NSHDSACASA-N 0 1 291.361 3.559 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cnn(C(C)C)c2)cnc1Cl ZINC001649308294 1128376684 /nfs/dbraw/zinc/37/66/84/1128376684.db2.gz WZNCFUAQNADJBD-LBPRGKRZSA-N 0 1 292.814 3.672 20 0 CHADMN Cc1nc(CN2C[C@@H]3CSC[C@@H]3C2)sc1C(C)(C)C ZINC000931746599 1128379965 /nfs/dbraw/zinc/37/99/65/1128379965.db2.gz PVZNZQCDQUWJPW-TXEJJXNPSA-N 0 1 296.505 3.544 20 0 CHADMN CC/C=C/CCN1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931795064 1128381569 /nfs/dbraw/zinc/38/15/69/1128381569.db2.gz FVCCLFCHDZSXFX-WHLIDYPQSA-N 0 1 281.403 3.714 20 0 CHADMN CC/C=C\CCN1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931795061 1128382270 /nfs/dbraw/zinc/38/22/70/1128382270.db2.gz FVCCLFCHDZSXFX-JXCVUKRWSA-N 0 1 281.403 3.714 20 0 CHADMN FC1(F)C[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1(F)F ZINC000931909432 1128386299 /nfs/dbraw/zinc/38/62/99/1128386299.db2.gz HDTIGEZVJLNIND-JTQLQIEISA-N 0 1 279.302 3.615 20 0 CHADMN C[C@@H]1CC(CNc2noc3ccc(Cl)cc32)C[C@@H](C)O1 ZINC000562245257 1128390126 /nfs/dbraw/zinc/39/01/26/1128390126.db2.gz FNJPFMQGEKBWDM-NXEZZACHSA-N 0 1 294.782 3.519 20 0 CHADMN C[C@@H](NCc1ccc2cnn(C)c2c1)c1ccccc1F ZINC000562266591 1128391833 /nfs/dbraw/zinc/39/18/33/1128391833.db2.gz OPOBQXQYTKANLI-GFCCVEGCSA-N 0 1 283.350 3.563 20 0 CHADMN CC(C)(C)OCCCCN1CCS[C@@H](C(F)(F)F)C1 ZINC000932075842 1128394576 /nfs/dbraw/zinc/39/45/76/1128394576.db2.gz REKNFOOJLAGTGX-LLVKDONJSA-N 0 1 299.402 3.561 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2COC(C)(C)C)sc1C ZINC000932162690 1128397802 /nfs/dbraw/zinc/39/78/02/1128397802.db2.gz GDKRMCGBHLWWEF-CYBMUJFWSA-N 0 1 282.453 3.539 20 0 CHADMN CC(F)(F)CCCSc1nc(-c2ccccc2)n[nH]1 ZINC000915977974 1128399537 /nfs/dbraw/zinc/39/95/37/1128399537.db2.gz PDFTUAQQSUSOMO-UHFFFAOYSA-N 0 1 283.347 3.999 20 0 CHADMN Cl/C=C\CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000932219040 1128400804 /nfs/dbraw/zinc/40/08/04/1128400804.db2.gz QCIJKBNZZFTDLT-VVOKDJNJSA-N 0 1 263.768 3.775 20 0 CHADMN CCCOc1cccc(CN2CCC[C@H]2c2ccnn2C)c1 ZINC000932265207 1128402183 /nfs/dbraw/zinc/40/21/83/1128402183.db2.gz OFEATSVRFSDBJL-SFHVURJKSA-N 0 1 299.418 3.546 20 0 CHADMN CC(C)Oc1ccc(CN2CCC[C@H]2c2ccnn2C)cc1 ZINC000932270317 1128402248 /nfs/dbraw/zinc/40/22/48/1128402248.db2.gz RIQYRBZUHOKLCP-SFHVURJKSA-N 0 1 299.418 3.544 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000123317784 1128403981 /nfs/dbraw/zinc/40/39/81/1128403981.db2.gz HCKZHNRVWVSJQE-PHIMTYICSA-N 0 1 291.782 3.763 20 0 CHADMN CCc1cc(=O)[nH]c(CN[C@@H](c2cccc(C)c2)C(C)C)n1 ZINC000528768343 1128405651 /nfs/dbraw/zinc/40/56/51/1128405651.db2.gz LZLUDKIEJZJBDX-GOSISDBHSA-N 0 1 299.418 3.540 20 0 CHADMN COc1ccc(CNCc2ccnn2C2CCCC2)c(C)c1 ZINC000562517658 1128407939 /nfs/dbraw/zinc/40/79/39/1128407939.db2.gz DKAOAFFHFCGQMZ-UHFFFAOYSA-N 0 1 299.418 3.605 20 0 CHADMN C[C@H](C(=O)Nc1ccccc1)N1Cc2ccccc2[C@@H](C)C1 ZINC000916151252 1128410229 /nfs/dbraw/zinc/41/02/29/1128410229.db2.gz CYAHVPACOORCDX-LSDHHAIUSA-N 0 1 294.398 3.633 20 0 CHADMN CCc1nc(CN2CC[C@H](Cc3ccccc3)C2)cs1 ZINC000124223224 1128443294 /nfs/dbraw/zinc/44/32/94/1128443294.db2.gz UZVCBBQAUAEDAS-OAHLLOKOSA-N 0 1 286.444 3.770 20 0 CHADMN CCO[C@H]1CC[N@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000932975440 1128427531 /nfs/dbraw/zinc/42/75/31/1128427531.db2.gz RYOWVNHXYDUAOD-HIFRSBDPSA-N 0 1 286.375 3.513 20 0 CHADMN CCO[C@H]1CCN([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000932975440 1128427534 /nfs/dbraw/zinc/42/75/34/1128427534.db2.gz RYOWVNHXYDUAOD-HIFRSBDPSA-N 0 1 286.375 3.513 20 0 CHADMN CCc1ccccc1CNCc1cccc(O)c1Cl ZINC000328392633 1128431089 /nfs/dbraw/zinc/43/10/89/1128431089.db2.gz UTYUCNZXLSWTFE-UHFFFAOYSA-N 0 1 275.779 3.898 20 0 CHADMN CC(C)(C)c1nccc(-c2c(F)cc(F)c(O)c2F)n1 ZINC001235986133 1128431354 /nfs/dbraw/zinc/43/13/54/1128431354.db2.gz RADGXTDTDIHJJI-UHFFFAOYSA-N 0 1 282.265 3.564 20 0 CHADMN CCCc1ccc([C@@H](C)NCc2cccnc2OC)cc1 ZINC000037650434 1128434696 /nfs/dbraw/zinc/43/46/96/1128434696.db2.gz BRDAQMZMSQUYNJ-CQSZACIVSA-N 0 1 284.403 3.894 20 0 CHADMN CC1(C)CCN(Cc2cnns2)C[C@H]1c1ccccc1 ZINC000933513001 1128436731 /nfs/dbraw/zinc/43/67/31/1128436731.db2.gz MWRKPAYULPNUFH-HNNXBMFYSA-N 0 1 287.432 3.554 20 0 CHADMN CCN(CCCF)Cc1cc(Br)ccc1F ZINC000123698522 1128439561 /nfs/dbraw/zinc/43/95/61/1128439561.db2.gz WVFGRMWOVLEQCI-UHFFFAOYSA-N 0 1 292.167 3.770 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(O)c(OC)c1 ZINC001203525897 1128439959 /nfs/dbraw/zinc/43/99/59/1128439959.db2.gz HKWQFZWYFJWETC-UHFFFAOYSA-N 0 1 296.326 3.701 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000063629594 1128444600 /nfs/dbraw/zinc/44/46/00/1128444600.db2.gz PCUDCOSXTNZGGU-UHFFFAOYSA-N 0 1 289.338 3.542 20 0 CHADMN C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccc(F)c1Cl ZINC000124315004 1128443029 /nfs/dbraw/zinc/44/30/29/1128443029.db2.gz VHMKWQXEMQZUHQ-JSGCOSHPSA-N 0 1 299.817 3.995 20 0 CHADMN CCCc1nc(CN[C@@H]2CCOC23CCCCC3)cs1 ZINC000933876372 1128446587 /nfs/dbraw/zinc/44/65/87/1128446587.db2.gz JLXVVTIQIYABSF-CQSZACIVSA-N 0 1 294.464 3.677 20 0 CHADMN CCC[C@](C)(NCc1cnc(C)cn1)c1ccccc1 ZINC000934185502 1128453663 /nfs/dbraw/zinc/45/36/63/1128453663.db2.gz ILGRIDYBYIQDKT-KRWDZBQOSA-N 0 1 269.392 3.590 20 0 CHADMN CSc1cccc(CN[C@@H](C)c2cncs2)c1 ZINC000934193792 1128454019 /nfs/dbraw/zinc/45/40/19/1128454019.db2.gz NGXNSNBXYZZDRG-JTQLQIEISA-N 0 1 264.419 3.716 20 0 CHADMN CCC[C@@](C)(NCc1ccnc(C)n1)c1ccccc1 ZINC000934180556 1128454126 /nfs/dbraw/zinc/45/41/26/1128454126.db2.gz SHGSNOXNNCEEGJ-QGZVFWFLSA-N 0 1 269.392 3.590 20 0 CHADMN CC(C)C1(C)CCN(Cc2ccc(Cl)nc2)CC1 ZINC000778219618 1128451077 /nfs/dbraw/zinc/45/10/77/1128451077.db2.gz LEKZAKZDWIHLBL-UHFFFAOYSA-N 0 1 266.816 3.993 20 0 CHADMN C[C@H]1CSCCCN1Cc1nc2ccccc2s1 ZINC000934298045 1128457783 /nfs/dbraw/zinc/45/77/83/1128457783.db2.gz SLAZTWNKQMDCIS-NSHDSACASA-N 0 1 278.446 3.624 20 0 CHADMN CC(C)(C)c1nc(CN[C@H]2CCOC23CCCC3)cs1 ZINC000934394149 1128459570 /nfs/dbraw/zinc/45/95/70/1128459570.db2.gz IGNPILMRLIMOLY-ZDUSSCGKSA-N 0 1 294.464 3.632 20 0 CHADMN CCCCc1nc(CN[C@@H]2CCOC23CCCC3)cs1 ZINC000934392114 1128459787 /nfs/dbraw/zinc/45/97/87/1128459787.db2.gz ABFRDZAICLFRJS-CQSZACIVSA-N 0 1 294.464 3.677 20 0 CHADMN CC(C)(C)c1csc(CN[C@H]2CCOC23CCCC3)n1 ZINC000934397360 1128459819 /nfs/dbraw/zinc/45/98/19/1128459819.db2.gz XGLMLYVNILWDGR-LBPRGKRZSA-N 0 1 294.464 3.632 20 0 CHADMN FCCC1C[C@H]2CC[C@@H](C1)N2Cc1noc2c1CCCC2 ZINC000934456659 1128461282 /nfs/dbraw/zinc/46/12/82/1128461282.db2.gz FMJGWZZWGJIMTB-AGUYFDCRSA-N 0 1 292.398 3.656 20 0 CHADMN FCCC1C[C@H]2CC[C@@H](C1)N2Cc1ccnc(Cl)c1 ZINC000934456780 1128461294 /nfs/dbraw/zinc/46/12/94/1128461294.db2.gz HOSGRNXJIPQMOF-QXMXGUDHSA-N 0 1 282.790 3.838 20 0 CHADMN C[C@@H]1CCC[C@@H](CN[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000126154038 1128461672 /nfs/dbraw/zinc/46/16/72/1128461672.db2.gz AGRYMEYJQOFYFI-INMHGKMJSA-N 0 1 283.419 3.915 20 0 CHADMN CN(Cc1cccn1C)Cc1ccccc1C(F)(F)F ZINC000126671047 1128465443 /nfs/dbraw/zinc/46/54/43/1128465443.db2.gz BWFXIZFOIVAOJY-UHFFFAOYSA-N 0 1 282.309 3.676 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1nc(C)c2ccccc2n1 ZINC000126381288 1128463091 /nfs/dbraw/zinc/46/30/91/1128463091.db2.gz JWJUGKJYJCWKGX-GFCCVEGCSA-N 0 1 289.448 3.512 20 0 CHADMN C[C@@H](NCc1cccs1)c1cnn(CC2CCC2)c1 ZINC000934560953 1128463223 /nfs/dbraw/zinc/46/32/23/1128463223.db2.gz BVGCFHXANWDLDU-GFCCVEGCSA-N 0 1 275.421 3.596 20 0 CHADMN C[C@@H](N[C@@H]1CC=CC[C@H]1C)c1nc(Cc2ccccc2)no1 ZINC000934623805 1128465189 /nfs/dbraw/zinc/46/51/89/1128465189.db2.gz RBVGYDORWURPNQ-IIAWOOMASA-N 0 1 297.402 3.666 20 0 CHADMN c1ccc2sc(CN[C@H](c3ccncc3)C3CC3)nc2c1 ZINC000934687663 1128466449 /nfs/dbraw/zinc/46/64/49/1128466449.db2.gz PIAREIKFQCBIKJ-KRWDZBQOSA-N 0 1 295.411 3.932 20 0 CHADMN CC(C)(F)C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000154240526 1128467370 /nfs/dbraw/zinc/46/73/70/1128467370.db2.gz LLEYSVNUJMRIOV-UHFFFAOYSA-N 0 1 287.294 3.510 20 0 CHADMN Cc1cccc(CN[C@H](C)c2cc3c(s2)CCC3)n1 ZINC000127270597 1128474509 /nfs/dbraw/zinc/47/45/09/1128474509.db2.gz KNMNUKGXYKZJKV-GFCCVEGCSA-N 0 1 272.417 3.791 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2cc3c(s2)CCC3)n1 ZINC000127270357 1128474615 /nfs/dbraw/zinc/47/46/15/1128474615.db2.gz KNMNUKGXYKZJKV-LBPRGKRZSA-N 0 1 272.417 3.791 20 0 CHADMN C[C@@H]1CO[C@@H](c2ccccc2)CN1Cc1ccccc1 ZINC000066853214 1128479029 /nfs/dbraw/zinc/47/90/29/1128479029.db2.gz NOUYNEHSNUSLIO-CRAIPNDOSA-N 0 1 267.372 3.649 20 0 CHADMN C[C@@]1(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C=CCC1 ZINC000935111840 1128479498 /nfs/dbraw/zinc/47/94/98/1128479498.db2.gz WGMGKELLWDCYNU-OAHLLOKOSA-N 0 1 291.301 3.795 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2cc(C)c(F)c(C)c2)n1 ZINC000127330336 1128475822 /nfs/dbraw/zinc/47/58/22/1128475822.db2.gz IGETUQGZXPBINC-AWEZNQCLSA-N 0 1 272.367 3.997 20 0 CHADMN CCc1ccc(CNCc2ccncc2Cl)s1 ZINC000225276901 1128475947 /nfs/dbraw/zinc/47/59/47/1128475947.db2.gz BTQSAAIABZASSG-UHFFFAOYSA-N 0 1 266.797 3.649 20 0 CHADMN Cc1cc(-c2noc(CN3CCCC3(C)C)n2)ccc1F ZINC000127399075 1128477208 /nfs/dbraw/zinc/47/72/08/1128477208.db2.gz LNJUTHKCPAETGO-UHFFFAOYSA-N 0 1 289.354 3.559 20 0 CHADMN CSc1ccc(CNCc2cc(F)ccc2F)cc1 ZINC000067251231 1128482692 /nfs/dbraw/zinc/48/26/92/1128482692.db2.gz BZUUIHJNOOEBAX-UHFFFAOYSA-N 0 1 279.355 3.977 20 0 CHADMN C[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000563894653 1128483818 /nfs/dbraw/zinc/48/38/18/1128483818.db2.gz MCFBJRQFFJNVHB-GFCCVEGCSA-N 0 1 285.391 3.525 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226420752 1128485040 /nfs/dbraw/zinc/48/50/40/1128485040.db2.gz OMICXIDKZXBQPX-RYUDHWBXSA-N 0 1 281.783 3.588 20 0 CHADMN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NCc1cccc(F)c1 ZINC000564116874 1128494139 /nfs/dbraw/zinc/49/41/39/1128494139.db2.gz MWKSRAZQBGYKKB-MGPLVRAMSA-N 0 1 275.298 3.577 20 0 CHADMN C[C@@H]1Oc2cc(F)ccc2[C@H]1NCc1cccc(F)c1 ZINC000564116875 1128494258 /nfs/dbraw/zinc/49/42/58/1128494258.db2.gz MWKSRAZQBGYKKB-QFYYESIMSA-N 0 1 275.298 3.577 20 0 CHADMN CCN(Cn1c2ccccc2n(C)c1=S)C1CCCC1 ZINC000917463036 1128500189 /nfs/dbraw/zinc/50/01/89/1128500189.db2.gz VFIPEBGSZLIDCU-UHFFFAOYSA-N 0 1 289.448 3.931 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)o1 ZINC000564533085 1128510787 /nfs/dbraw/zinc/51/07/87/1128510787.db2.gz OKPRUILGMDSESB-UOJCXKCYSA-N 0 1 289.419 3.792 20 0 CHADMN CC[C@@H](C)N(C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000068449876 1128511452 /nfs/dbraw/zinc/51/14/52/1128511452.db2.gz XAQUNVSLNSMQQS-SECBINFHSA-N 0 1 289.206 3.662 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])oc1CC ZINC000564738459 1128514643 /nfs/dbraw/zinc/51/46/43/1128514643.db2.gz BZSWMMPDJBVKRI-ZDUSSCGKSA-N 0 1 279.380 3.695 20 0 CHADMN CCCC[C@H]1CCC[C@H]1NCc1nccc(C(F)F)n1 ZINC000567134176 1128558774 /nfs/dbraw/zinc/55/87/74/1128558774.db2.gz DDFGBXSZXGUIRJ-NWDGAFQWSA-N 0 1 283.366 3.863 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1cccc(Cl)c1 ZINC000565105391 1128519898 /nfs/dbraw/zinc/51/98/98/1128519898.db2.gz YDOWHHRFXUEYLE-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000565112077 1128520079 /nfs/dbraw/zinc/52/00/79/1128520079.db2.gz GXUOSZMBOVPGIJ-DJSGYFEHSA-N 0 1 295.810 3.834 20 0 CHADMN CC(C)C[C@H](C)N1CCO[C@H](c2cccs2)C1 ZINC000565142870 1128520823 /nfs/dbraw/zinc/52/08/23/1128520823.db2.gz XWCNDFSAAWDGKF-STQMWFEESA-N 0 1 253.411 3.556 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](CC[C@H]1CCC[C@@H](C)C1)C1CCC1 ZINC000565252061 1128522810 /nfs/dbraw/zinc/52/28/10/1128522810.db2.gz ADJRFYILJPGQDB-MGPQQGTHSA-N 0 1 267.413 3.530 20 0 CHADMN Fc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000565301495 1128523776 /nfs/dbraw/zinc/52/37/76/1128523776.db2.gz VSHJQAJKPOLIKI-LRDDRELGSA-N 0 1 297.801 3.870 20 0 CHADMN CCOc1ccc2nc(SCc3conc3C)[nH]c2c1 ZINC000565283435 1128524140 /nfs/dbraw/zinc/52/41/40/1128524140.db2.gz CIGRWUHELFADAD-UHFFFAOYSA-N 0 1 289.360 3.550 20 0 CHADMN COc1cccc([C@H](C)NCc2ccc(OC)cc2F)c1 ZINC000228600144 1128530129 /nfs/dbraw/zinc/53/01/29/1128530129.db2.gz ZVJBDGKLKOIZGJ-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN Cc1cc(CN[C@@H](c2ncc[nH]2)C2CCCCC2)cc(C)n1 ZINC000565886208 1128534284 /nfs/dbraw/zinc/53/42/84/1128534284.db2.gz LPDJAIIMXIVKOE-QGZVFWFLSA-N 0 1 298.434 3.833 20 0 CHADMN CC(C)(C[N@@H+](CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000686654273 1128534751 /nfs/dbraw/zinc/53/47/51/1128534751.db2.gz VQXFOYNEGOGAPE-UHFFFAOYSA-N 0 1 297.398 3.551 20 0 CHADMN CCn1nc(C)c(CN(C)Cc2ccc(F)c(C)c2)c1C ZINC000565931998 1128535348 /nfs/dbraw/zinc/53/53/48/1128535348.db2.gz LERPKZMNFDXGBY-UHFFFAOYSA-N 0 1 289.398 3.599 20 0 CHADMN CCCCN(CCOC)Cc1coc(-c2ccccc2)n1 ZINC000069251200 1128535926 /nfs/dbraw/zinc/53/59/26/1128535926.db2.gz QFVSVMKWUFLXGY-UHFFFAOYSA-N 0 1 288.391 3.590 20 0 CHADMN CCC[N@H+](Cc1nnc(-c2cc(C)oc2C)o1)CC1CC1 ZINC000129973733 1128560355 /nfs/dbraw/zinc/56/03/55/1128560355.db2.gz HSLCIDAJMONSPJ-UHFFFAOYSA-N 0 1 289.379 3.568 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2csc3ccccc23)[C@H](C(=O)[O-])C1 ZINC000129463820 1128541565 /nfs/dbraw/zinc/54/15/65/1128541565.db2.gz CXHBDDUZZJBIEE-FZMZJTMJSA-N 0 1 289.400 3.586 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000566357330 1128542496 /nfs/dbraw/zinc/54/24/96/1128542496.db2.gz QCPQUYIZYYTPAS-LJQANCHMSA-N 0 1 297.398 3.835 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000566357329 1128542535 /nfs/dbraw/zinc/54/25/35/1128542535.db2.gz QCPQUYIZYYTPAS-IBGZPJMESA-N 0 1 297.398 3.835 20 0 CHADMN Cc1cc(C(C#N)C(=O)CCC2CCCCC2)nc(C)n1 ZINC000041573997 1128547962 /nfs/dbraw/zinc/54/79/62/1128547962.db2.gz DNPVFLYVLAAKHQ-OAHLLOKOSA-N 0 1 285.391 3.630 20 0 CHADMN Cc1ncncc1[C@@H](C)NCc1ccccc1COC(C)C ZINC000566689665 1128550049 /nfs/dbraw/zinc/55/00/49/1128550049.db2.gz SYAUQAKGYZUYGG-CQSZACIVSA-N 0 1 299.418 3.561 20 0 CHADMN CCc1ccc(CNCc2ccc(OC)cc2OC)cc1 ZINC000069782692 1128550862 /nfs/dbraw/zinc/55/08/62/1128550862.db2.gz QZBZBFXRGUIGSP-UHFFFAOYSA-N 0 1 285.387 3.556 20 0 CHADMN CC[C@H](C)n1ncc(NCc2ccc3nc[nH]c3c2)c1C ZINC000566772478 1128551451 /nfs/dbraw/zinc/55/14/51/1128551451.db2.gz CEMMREQKAFGXOP-NSHDSACASA-N 0 1 283.379 3.651 20 0 CHADMN CC(=O)c1cc(CN(CC(C)(C)C)CC(C)(C)C)on1 ZINC000566804545 1128551995 /nfs/dbraw/zinc/55/19/95/1128551995.db2.gz GBFUBQBWLYEVBE-UHFFFAOYSA-N 0 1 280.412 3.771 20 0 CHADMN FCCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000129712637 1128553195 /nfs/dbraw/zinc/55/31/95/1128553195.db2.gz IIYDOZUDAYMIIK-UHFFFAOYSA-N 0 1 271.748 3.577 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2NCc1cc2cccnc2o1 ZINC000556155184 1128557276 /nfs/dbraw/zinc/55/72/76/1128557276.db2.gz XMTPSOQUADTVPH-AWEZNQCLSA-N 0 1 268.316 3.588 20 0 CHADMN CC[N@H+](Cc1c(Cl)cccc1C(=O)[O-])CC(C)C ZINC000567397008 1128564015 /nfs/dbraw/zinc/56/40/15/1128564015.db2.gz ISQBAJRTHMKHSG-UHFFFAOYSA-N 0 1 269.772 3.516 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000567470863 1128565285 /nfs/dbraw/zinc/56/52/85/1128565285.db2.gz RYOLTQYFCWMJJO-BYCMXARLSA-N 0 1 295.810 3.834 20 0 CHADMN C[N@@H+](Cc1ccc(C(C)(C)C)cc1)CC1(CC(=O)[O-])CC1 ZINC000567620006 1128568995 /nfs/dbraw/zinc/56/89/95/1128568995.db2.gz LTWBXCPTJWLPMT-UHFFFAOYSA-N 0 1 289.419 3.671 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccnn1C1CCCC1)CC2 ZINC000567838671 1128572992 /nfs/dbraw/zinc/57/29/92/1128572992.db2.gz HAZWJRKSMXGNGW-GOSISDBHSA-N 0 1 299.393 3.914 20 0 CHADMN COC(C)(C)CCSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000556318432 1128577392 /nfs/dbraw/zinc/57/73/92/1128577392.db2.gz FEKDWIGLJSZIOQ-UHFFFAOYSA-N 0 1 291.420 3.687 20 0 CHADMN Cc1nc([C@H](C)Sc2nc3cc(F)ccc3s2)n[nH]1 ZINC000918871828 1128577888 /nfs/dbraw/zinc/57/78/88/1128577888.db2.gz MDABSIKCGDSWPC-LURJTMIESA-N 0 1 294.380 3.715 20 0 CHADMN CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1ncccc1[O-] ZINC000568139839 1128578586 /nfs/dbraw/zinc/57/85/86/1128578586.db2.gz RXIIWEDXLSRRRD-AWEZNQCLSA-N 0 1 262.397 3.578 20 0 CHADMN CC(C)CC[C@@H]1CCCC[N@H+]1Cc1ncccc1[O-] ZINC000568139839 1128578588 /nfs/dbraw/zinc/57/85/88/1128578588.db2.gz RXIIWEDXLSRRRD-AWEZNQCLSA-N 0 1 262.397 3.578 20 0 CHADMN CCC[N@@H+](Cc1nc(-c2ccc(C)cc2)no1)C(C)C ZINC000568183327 1128579808 /nfs/dbraw/zinc/57/98/08/1128579808.db2.gz QQHNXNOBKJJVHB-UHFFFAOYSA-N 0 1 273.380 3.665 20 0 CHADMN CCCN(Cc1nc(-c2ccc(C)cc2)no1)C(C)C ZINC000568183327 1128579809 /nfs/dbraw/zinc/57/98/09/1128579809.db2.gz QQHNXNOBKJJVHB-UHFFFAOYSA-N 0 1 273.380 3.665 20 0 CHADMN CN(CCCn1ccnc1)Cc1cc(Cl)ccc1Cl ZINC000130380754 1128581587 /nfs/dbraw/zinc/58/15/87/1128581587.db2.gz PPXPZYQIJMIFSS-UHFFFAOYSA-N 0 1 298.217 3.712 20 0 CHADMN CCCC[C@H](CC)C[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000568290383 1128581660 /nfs/dbraw/zinc/58/16/60/1128581660.db2.gz IHXMCGWJXKBQMZ-STQMWFEESA-N 0 1 255.402 3.530 20 0 CHADMN COc1ccc([C@H](C)NCc2cc3ccccc3o2)cc1O ZINC000568332887 1128582478 /nfs/dbraw/zinc/58/24/78/1128582478.db2.gz XQLCDMMIKSSOSE-LBPRGKRZSA-N 0 1 297.354 3.998 20 0 CHADMN Cc1cc(CNCc2ccc(OC(C)(C)C)nc2)c(C)o1 ZINC000778638278 1128582913 /nfs/dbraw/zinc/58/29/13/1128582913.db2.gz BYRBEPODGBWIBI-UHFFFAOYSA-N 0 1 288.391 3.759 20 0 CHADMN c1cc(CN[C@@H](Cc2ccccc2)c2ccccc2)on1 ZINC000071114175 1128583353 /nfs/dbraw/zinc/58/33/53/1128583353.db2.gz ZNWQFPMELNOAFX-SFHVURJKSA-N 0 1 278.355 3.748 20 0 CHADMN CCCc1nc(C)c(CNCc2ccnc3ccccc23)o1 ZINC000568464241 1128585834 /nfs/dbraw/zinc/58/58/34/1128585834.db2.gz XKVMKAAJMQVABB-UHFFFAOYSA-N 0 1 295.386 3.774 20 0 CHADMN CC(C)(C)c1cc(CN(CC2CC2)C2CCC2)no1 ZINC000568496343 1128586022 /nfs/dbraw/zinc/58/60/22/1128586022.db2.gz KZVLIIOXSOOORX-UHFFFAOYSA-N 0 1 262.397 3.737 20 0 CHADMN Cc1ccc(-c2ncc(CN(C)[C@@H]3CCSC3)s2)o1 ZINC000130623323 1128589836 /nfs/dbraw/zinc/58/98/36/1128589836.db2.gz GFGUWLFEFOXMLH-LLVKDONJSA-N 0 1 294.445 3.649 20 0 CHADMN C[C@@H]1CN(C/C=C\c2ccc(F)cc2)CCC1(F)F ZINC000568922161 1128594411 /nfs/dbraw/zinc/59/44/11/1128594411.db2.gz OMEFQEFISKOQER-ZZKXABKFSA-N 0 1 269.310 3.816 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2cc(C)sc2C)n[nH]1 ZINC000568945493 1128595339 /nfs/dbraw/zinc/59/53/39/1128595339.db2.gz PCKKPXJNGWUVGN-KOLCDFICSA-N 0 1 292.452 3.847 20 0 CHADMN C[C@@H](CNCc1cc(C2CC2)no1)Sc1ccccc1 ZINC000638704640 1128597693 /nfs/dbraw/zinc/59/76/93/1128597693.db2.gz LDXNGOPBJUREGW-LBPRGKRZSA-N 0 1 288.416 3.822 20 0 CHADMN COc1cc(-c2cc3[nH]ccc3cn2)cc(C)c1F ZINC001236178928 1128599058 /nfs/dbraw/zinc/59/90/58/1128599058.db2.gz QLUHYQBULYXVGU-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CCc1ccc([C@@H]2C[N@@H+](CCCCCF)CCO2)cc1 ZINC000556533479 1128599852 /nfs/dbraw/zinc/59/98/52/1128599852.db2.gz IUDPPHWZVOSXGU-KRWDZBQOSA-N 0 1 279.399 3.762 20 0 CHADMN CCc1ccc([C@@H]2CN(CCCCCF)CCO2)cc1 ZINC000556533479 1128599857 /nfs/dbraw/zinc/59/98/57/1128599857.db2.gz IUDPPHWZVOSXGU-KRWDZBQOSA-N 0 1 279.399 3.762 20 0 CHADMN C[C@@H](C[N@@H+](CC(=O)[O-])Cc1ccccc1)C1CCCCC1 ZINC000569857065 1128610724 /nfs/dbraw/zinc/61/07/24/1128610724.db2.gz NDFZEXZCPDSQGN-HNNXBMFYSA-N 0 1 289.419 3.790 20 0 CHADMN CC(C)c1ccsc1C(=O)OCCN1CCCCC1 ZINC000919678329 1128621582 /nfs/dbraw/zinc/62/15/82/1128621582.db2.gz VFNNGRSAKXTRFC-UHFFFAOYSA-N 0 1 281.421 3.514 20 0 CHADMN Cc1ccc(C[C@@H]2CCC[N@@H+](CCCCC(=O)[O-])C2)cc1 ZINC000570546247 1128626016 /nfs/dbraw/zinc/62/60/16/1128626016.db2.gz CJLSXPUZADLWAW-KRWDZBQOSA-N 0 1 289.419 3.504 20 0 CHADMN Cc1noc(C(C)(C)NCC[C@H]2C[C@H](C)C[C@H](C)C2)n1 ZINC000570469061 1128624308 /nfs/dbraw/zinc/62/43/08/1128624308.db2.gz VGRNGTAXSXVQRW-IMRBUKKESA-N 0 1 279.428 3.665 20 0 CHADMN O=C([O-])C[N@@H+](Cc1ccc(-c2ccccc2)cc1)C1CCC1 ZINC000570529891 1128625987 /nfs/dbraw/zinc/62/59/87/1128625987.db2.gz ZTCLCMDGQVKWDI-UHFFFAOYSA-N 0 1 295.382 3.793 20 0 CHADMN Cn1c2ccccc2nc1[C@H]1CCCCN1CCCCF ZINC000556811952 1128626666 /nfs/dbraw/zinc/62/66/66/1128626666.db2.gz QXNLZVPTXOZDAC-MRXNPFEDSA-N 0 1 289.398 3.850 20 0 CHADMN Cc1ccc(CNCc2cncc(C)c2)c(Cl)c1 ZINC000570576122 1128626773 /nfs/dbraw/zinc/62/67/73/1128626773.db2.gz UJPRWUVCHFVYAY-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN CC[N@@H+](CCCCC(F)(F)F)C1CCC(C(=O)[O-])CC1 ZINC000570583331 1128627391 /nfs/dbraw/zinc/62/73/91/1128627391.db2.gz DZMOJDQONJLLCY-UHFFFAOYSA-N 0 1 295.345 3.684 20 0 CHADMN CCCCN(C)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000072710458 1128628933 /nfs/dbraw/zinc/62/89/33/1128628933.db2.gz JUSCYTUPVVDQQI-ZDUSSCGKSA-N 0 1 273.380 3.838 20 0 CHADMN CCc1cnc(CN2C[C@H](C)C[C@H]2c2ccccc2)o1 ZINC000556848733 1128629743 /nfs/dbraw/zinc/62/97/43/1128629743.db2.gz HQDJRWZZPQPRSH-CJNGLKHVSA-N 0 1 270.376 3.820 20 0 CHADMN COc1ccc2c(c1)C[N@H+](Cc1cc(C)c(O)c(C)c1)CC2 ZINC000556868942 1128631972 /nfs/dbraw/zinc/63/19/72/1128631972.db2.gz YHMNVJZHHBYUIB-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cc(C)c(O)c(C)c1)CC2 ZINC000556868942 1128631973 /nfs/dbraw/zinc/63/19/73/1128631973.db2.gz YHMNVJZHHBYUIB-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN C[C@@H](NCc1noc(-c2cccs2)n1)C1CCCCC1 ZINC000570856171 1128633444 /nfs/dbraw/zinc/63/34/44/1128633444.db2.gz YHJVGIYJAKMDJP-LLVKDONJSA-N 0 1 291.420 3.857 20 0 CHADMN C[C@H](NCc1noc(-c2cccs2)n1)C1CCCCC1 ZINC000570856172 1128633707 /nfs/dbraw/zinc/63/37/07/1128633707.db2.gz YHJVGIYJAKMDJP-NSHDSACASA-N 0 1 291.420 3.857 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000570855707 1128633888 /nfs/dbraw/zinc/63/38/88/1128633888.db2.gz YHKKKQMJTAFREB-XJKSGUPXSA-N 0 1 275.392 3.785 20 0 CHADMN CC[C@](C)(NCCOc1ccccc1)c1nc(C)cs1 ZINC000072863068 1128634533 /nfs/dbraw/zinc/63/45/33/1128634533.db2.gz ATQSTCZXNSKFCJ-INIZCTEOSA-N 0 1 290.432 3.745 20 0 CHADMN CCOC[C@H]1CCCN([C@@H](C)c2cc(F)ccc2F)C1 ZINC000072975816 1128637577 /nfs/dbraw/zinc/63/75/77/1128637577.db2.gz YTJFDVNEXVXCIC-STQMWFEESA-N 0 1 283.362 3.774 20 0 CHADMN CCC[C@H]1CN(Cc2cc(C)nc3ccccc23)CCO1 ZINC000131935773 1128640353 /nfs/dbraw/zinc/64/03/53/1128640353.db2.gz XCXKPGMTHFYDOM-INIZCTEOSA-N 0 1 284.403 3.544 20 0 CHADMN Cc1ccc(C[C@H](C)[N@@H+](C)Cc2ccccc2C(=O)[O-])cc1 ZINC000572049739 1128641517 /nfs/dbraw/zinc/64/15/17/1128641517.db2.gz XGDQKGAVOAVWDW-HNNXBMFYSA-N 0 1 297.398 3.756 20 0 CHADMN CC(C)OC[C@H](C)NCc1c(Cl)cccc1Cl ZINC000572304929 1128643787 /nfs/dbraw/zinc/64/37/87/1128643787.db2.gz TUSSKFOIJTUBSJ-JTQLQIEISA-N 0 1 276.207 3.897 20 0 CHADMN CC(C)[C@H]1CN([C@H](C)c2ccc(F)c(F)c2)CCCO1 ZINC000572546062 1128645263 /nfs/dbraw/zinc/64/52/63/1128645263.db2.gz KDXRGVABFYUWNG-MLGOLLRUSA-N 0 1 283.362 3.773 20 0 CHADMN CCCN(C(=O)c1cc(CC)[nH]n1)[C@H](CC)c1ccccc1 ZINC000499121276 1128650540 /nfs/dbraw/zinc/65/05/40/1128650540.db2.gz JXHCCCBJJLBHAH-QGZVFWFLSA-N 0 1 299.418 3.976 20 0 CHADMN C[C@H](CC(C)(C)c1ccccc1)NCC(C)(F)F ZINC000572622867 1128646277 /nfs/dbraw/zinc/64/62/77/1128646277.db2.gz FLIFZFHKVMUBET-GFCCVEGCSA-N 0 1 255.352 3.988 20 0 CHADMN CC[C@@H]1CCC[N@@H+](CC[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000573379501 1128653929 /nfs/dbraw/zinc/65/39/29/1128653929.db2.gz KAYUJWVSXDXFTN-WBVHZDCISA-N 0 1 289.419 3.757 20 0 CHADMN CC(C)C[C@H](C)N(C)Cc1nc2c(s1)CCCC2 ZINC000573467424 1128655096 /nfs/dbraw/zinc/65/50/96/1128655096.db2.gz YPPQHDLJRSCQFS-LBPRGKRZSA-N 0 1 266.454 3.888 20 0 CHADMN CC(C)(C)c1nc(CSc2ccnc3ccccc32)n[nH]1 ZINC000573543186 1128656221 /nfs/dbraw/zinc/65/62/21/1128656221.db2.gz IXKXMGMLTFYRLQ-UHFFFAOYSA-N 0 1 298.415 3.943 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000574922279 1128665135 /nfs/dbraw/zinc/66/51/35/1128665135.db2.gz MIROHTJXKQFJDD-HYVNUMGLSA-N 0 1 289.419 3.611 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccnc(Cl)c2)c1 ZINC000158652075 1128670084 /nfs/dbraw/zinc/67/00/84/1128670084.db2.gz DZJNTBBNRBUAKM-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN CC(C)CC[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000577878476 1128696232 /nfs/dbraw/zinc/69/62/32/1128696232.db2.gz KCJBQVUXKXERRS-HNNXBMFYSA-N 0 1 293.382 3.925 20 0 CHADMN COc1c(F)cc(CN2CC[C@@H](C)C[C@H]2C)cc1F ZINC001138425431 1128699768 /nfs/dbraw/zinc/69/97/68/1128699768.db2.gz SBGGMUKSVOQQCM-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN C[C@@H](CC(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000578083783 1128706302 /nfs/dbraw/zinc/70/63/02/1128706302.db2.gz FCTNFCWJEMTKCG-AWEZNQCLSA-N 0 1 283.371 3.649 20 0 CHADMN OC1(CNc2ccc3nc(-c4ccco4)[nH]c3c2)CCCC1 ZINC000578064525 1128705799 /nfs/dbraw/zinc/70/57/99/1128705799.db2.gz IVPYNAKFQIAGQZ-UHFFFAOYSA-N 0 1 297.358 3.540 20 0 CHADMN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000578143907 1128709855 /nfs/dbraw/zinc/70/98/55/1128709855.db2.gz BKKDFCVMKJQMOY-IAGOWNOFSA-N 0 1 287.403 3.542 20 0 CHADMN C[C@@H](NCc1cnn(CC2CCC2)c1)c1cccc(F)c1 ZINC000921472208 1128710053 /nfs/dbraw/zinc/71/00/53/1128710053.db2.gz ZCFUZMGUNYJXKG-CYBMUJFWSA-N 0 1 287.382 3.673 20 0 CHADMN C[C@H](NCc1cnn(C2CCC2)c1)c1ccc(F)c(F)c1 ZINC000921471775 1128710395 /nfs/dbraw/zinc/71/03/95/1128710395.db2.gz OEZPMHAYHQTREG-NSHDSACASA-N 0 1 291.345 3.737 20 0 CHADMN c1ccc2c(c1)SCC[C@@H]2NCc1cccc2c1OCC2 ZINC000921488663 1128710662 /nfs/dbraw/zinc/71/06/62/1128710662.db2.gz DSKAACWMYASQKT-INIZCTEOSA-N 0 1 297.423 3.948 20 0 CHADMN Cc1cnc(Cl)c(CNCc2ccccc2C)c1 ZINC000921487558 1128710705 /nfs/dbraw/zinc/71/07/05/1128710705.db2.gz OVVUDEIVAYYSIX-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN Clc1cccc(CNCc2cnn(CC3CCC3)c2)c1 ZINC000921471869 1128710878 /nfs/dbraw/zinc/71/08/78/1128710878.db2.gz QBSCMDZAZYBFCV-UHFFFAOYSA-N 0 1 289.810 3.626 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCC[C@H]2c2ccccc2)cs1 ZINC000578329778 1128714346 /nfs/dbraw/zinc/71/43/46/1128714346.db2.gz MTLFKKUZLYCAFY-AWEZNQCLSA-N 0 1 287.384 3.783 20 0 CHADMN Cc1ccncc1CNCc1ccccc1C(F)(F)F ZINC000135459668 1128718706 /nfs/dbraw/zinc/71/87/06/1128718706.db2.gz MQVKSTXLMUQLFH-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN CCC[C@@H](C(=O)OCC)N1CCC(c2ccccc2)CC1 ZINC000609635365 1128721010 /nfs/dbraw/zinc/72/10/10/1128721010.db2.gz OLYACTZEDRJKSK-KRWDZBQOSA-N 0 1 289.419 3.598 20 0 CHADMN CC(C)[C@H](CSc1ccccc1)NCc1ccon1 ZINC000779078230 1128722221 /nfs/dbraw/zinc/72/22/21/1128722221.db2.gz QPDMXXMMNHPTGZ-HNNXBMFYSA-N 0 1 276.405 3.581 20 0 CHADMN CC(C)C[C@@H](C)C[C@H](C)NCc1nccc(OC(C)C)n1 ZINC001258061915 1128724511 /nfs/dbraw/zinc/72/45/11/1128724511.db2.gz IODGEPJHJCJXAZ-CABCVRRESA-N 0 1 293.455 3.814 20 0 CHADMN CCC[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])sc2C)C1 ZINC000578778034 1128729044 /nfs/dbraw/zinc/72/90/44/1128729044.db2.gz FFXWBAMCXIHWDC-GFCCVEGCSA-N 0 1 281.421 3.767 20 0 CHADMN C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cc(Cl)ccc1[O-] ZINC000184987493 1117746693 /nfs/dbraw/zinc/74/66/93/1117746693.db2.gz MBWACJWVCGNBIT-NSHDSACASA-N 0 1 286.762 3.768 20 0 CHADMN CC[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])N1CCCC1 ZINC000184990584 1117748171 /nfs/dbraw/zinc/74/81/71/1117748171.db2.gz WUVADMIKXTUWMX-GXTWGEPZSA-N 0 1 296.842 3.571 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CC[S@](=O)CC[C@H]1C ZINC000361109029 1117748625 /nfs/dbraw/zinc/74/86/25/1117748625.db2.gz DINOPXNONZERKE-FRQCXROJSA-N 0 1 285.497 3.602 20 0 CHADMN c1nc(C2CC2)c(CN2CCC[C@H]2c2ccccn2)s1 ZINC000578946010 1128733289 /nfs/dbraw/zinc/73/32/89/1128733289.db2.gz INQBGIMEGRFAFI-AWEZNQCLSA-N 0 1 285.416 3.753 20 0 CHADMN CC[C@@H]1CN(CC)CCN1C(=O)CC1CCC(C)(C)CC1 ZINC000622652024 1117753230 /nfs/dbraw/zinc/75/32/30/1117753230.db2.gz ZOUBKJJZPDRKJB-MRXNPFEDSA-N 0 1 294.483 3.536 20 0 CHADMN CC[C@@H](C)N1CCN(C(=O)CCCC2CCCCC2)CC1 ZINC000622657654 1117753450 /nfs/dbraw/zinc/75/34/50/1117753450.db2.gz GQRVTPHPEIOLEF-MRXNPFEDSA-N 0 1 294.483 3.680 20 0 CHADMN CC[C@H](C)N1CCN(C(=O)C[C@H](C)C2CCCCC2)CC1 ZINC000622658448 1117753533 /nfs/dbraw/zinc/75/35/33/1117753533.db2.gz XZGOZJKWJCESEQ-HOTGVXAUSA-N 0 1 294.483 3.536 20 0 CHADMN C[C@@]1(F)CCN(Cc2ccccc2C2CC2)C[C@H]1F ZINC001139880192 1117756469 /nfs/dbraw/zinc/75/64/69/1117756469.db2.gz CKENEESNFMGMJP-HZPDHXFCSA-N 0 1 265.347 3.836 20 0 CHADMN Cc1csc2ncnc(-c3cc(F)c(O)cc3F)c12 ZINC001206755313 1117760306 /nfs/dbraw/zinc/76/03/06/1117760306.db2.gz IBLIYCPSFYTZMD-UHFFFAOYSA-N 0 1 278.283 3.651 20 0 CHADMN Cc1cc(C[N@@H+]2CCCC[C@@H]2CC(C)C)oc1C(=O)[O-] ZINC000579720552 1117762084 /nfs/dbraw/zinc/76/20/84/1117762084.db2.gz OZOMVDUUAMLAKF-CYBMUJFWSA-N 0 1 279.380 3.687 20 0 CHADMN Cc1cc(C[N@@H+]2CCCC[C@H]2CC(C)C)oc1C(=O)[O-] ZINC000579720553 1117762265 /nfs/dbraw/zinc/76/22/65/1117762265.db2.gz OZOMVDUUAMLAKF-ZDUSSCGKSA-N 0 1 279.380 3.687 20 0 CHADMN C[C@H]([NH2+]Cc1ccoc1)c1cc(Br)ccc1[O-] ZINC000185106437 1117764186 /nfs/dbraw/zinc/76/41/86/1117764186.db2.gz JNOAXBZGKQMBIZ-VIFPVBQESA-N 0 1 296.164 3.599 20 0 CHADMN Fc1cccc2c1SCC[C@H]2NCc1cccnc1 ZINC000035047567 1117764279 /nfs/dbraw/zinc/76/42/79/1117764279.db2.gz KMCSRVFMBBIBTR-CQSZACIVSA-N 0 1 274.364 3.547 20 0 CHADMN CCc1cccc2c1OCC[C@@H]2N[C@@H](C)c1cncnc1C ZINC000579731981 1117767005 /nfs/dbraw/zinc/76/70/05/1117767005.db2.gz QNOIWJZROZFOFG-GUYCJALGSA-N 0 1 297.402 3.522 20 0 CHADMN Cn1cc(C[N@H+]2CCC[C@@H]2c2ccccc2)c(C(F)F)n1 ZINC000274608728 1117768365 /nfs/dbraw/zinc/76/83/65/1117768365.db2.gz SYZJVIYXQQPGGM-CQSZACIVSA-N 0 1 291.345 3.695 20 0 CHADMN Cn1cc(CN2CCC[C@@H]2c2ccccc2)c(C(F)F)n1 ZINC000274608728 1117768367 /nfs/dbraw/zinc/76/83/67/1117768367.db2.gz SYZJVIYXQQPGGM-CQSZACIVSA-N 0 1 291.345 3.695 20 0 CHADMN OCC[C@H](N[C@@H](c1ccc(F)cc1)C1CC1)c1ccco1 ZINC000274650396 1117781305 /nfs/dbraw/zinc/78/13/05/1117781305.db2.gz LGSWWMUVBDDMFL-DOTOQJQBSA-N 0 1 289.350 3.583 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N1CCCC[C@@H](C)C1 ZINC000671243353 1117783701 /nfs/dbraw/zinc/78/37/01/1117783701.db2.gz WIIGOEJUSYVOQU-ZIAGYGMSSA-N 0 1 285.391 3.920 20 0 CHADMN CCOc1ccc(CN2CCC=C(c3ccccc3)C2)nc1 ZINC000671253455 1117786401 /nfs/dbraw/zinc/78/64/01/1117786401.db2.gz PSGQXHRRCBFPQM-UHFFFAOYSA-N 0 1 294.398 3.770 20 0 CHADMN CCc1noc(C)c1CNCc1ccc(C)c(Cl)c1 ZINC000339437854 1117787968 /nfs/dbraw/zinc/78/79/68/1117787968.db2.gz NQDMNMNZFIDLCA-UHFFFAOYSA-N 0 1 278.783 3.797 20 0 CHADMN CCc1noc(C)c1CNC/C=C/c1ccc(F)cc1F ZINC000339437808 1117788003 /nfs/dbraw/zinc/78/80/03/1117788003.db2.gz HGBXUYJQHYTHPS-SNAWJCMRSA-N 0 1 292.329 3.627 20 0 CHADMN COc1ccc2oc(CN3CC(C)(CC(F)F)C3)cc2c1 ZINC000648058778 1117808925 /nfs/dbraw/zinc/80/89/25/1117808925.db2.gz CJICEMIHJNFJAG-UHFFFAOYSA-N 0 1 295.329 3.919 20 0 CHADMN Cn1cc([C@@H](NCc2cc(F)cc(F)c2)C(C)(C)C)cn1 ZINC000339501477 1117810318 /nfs/dbraw/zinc/81/03/18/1117810318.db2.gz HZPLDVFECJSDLH-OAHLLOKOSA-N 0 1 293.361 3.575 20 0 CHADMN Cc1nc([C@@H]2CCCCN2C[C@H](C)C(C)(C)C)no1 ZINC000670262759 1117812633 /nfs/dbraw/zinc/81/26/33/1117812633.db2.gz IRSMFBQCEKLCDE-AAEUAGOBSA-N 0 1 265.401 3.587 20 0 CHADMN CC1(C)CC[C@@H]1NCc1c(F)c(F)cc(F)c1F ZINC000671297978 1117814222 /nfs/dbraw/zinc/81/42/22/1117814222.db2.gz IUXFTGQSVDCNTN-JTQLQIEISA-N 0 1 261.262 3.521 20 0 CHADMN C[C@H]([NH2+]CCN(C)C1CCCC1)c1cc(Cl)ccc1[O-] ZINC000185373633 1117814813 /nfs/dbraw/zinc/81/48/13/1117814813.db2.gz MBQBHLAWIURJAH-LBPRGKRZSA-N 0 1 296.842 3.571 20 0 CHADMN CCCCOc1ccc([C@H](C)NCc2cc(C)ncn2)cc1 ZINC000671298254 1117816238 /nfs/dbraw/zinc/81/62/38/1117816238.db2.gz PPTIORJRGNPIHD-HNNXBMFYSA-N 0 1 299.418 3.815 20 0 CHADMN Cc1cc(CN[C@@H](CC2CC2)c2ccccc2)nc(C)n1 ZINC000671302833 1117819793 /nfs/dbraw/zinc/81/97/93/1117819793.db2.gz BURBTKSYGFCVOB-SFHVURJKSA-N 0 1 281.403 3.724 20 0 CHADMN Cc1cc(CN[C@H](CC2CC2)c2ccccc2)nc(C)n1 ZINC000671302832 1117819944 /nfs/dbraw/zinc/81/99/44/1117819944.db2.gz BURBTKSYGFCVOB-GOSISDBHSA-N 0 1 281.403 3.724 20 0 CHADMN Cc1ccc(CC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000185421604 1117822536 /nfs/dbraw/zinc/82/25/36/1117822536.db2.gz URGJYVFJLUWHNQ-LBPRGKRZSA-N 0 1 290.794 3.642 20 0 CHADMN CO[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C(C)C)c2)C1 ZINC001238219586 1117824275 /nfs/dbraw/zinc/82/42/75/1117824275.db2.gz QLRGTJARLKOOBW-ZDUSSCGKSA-N 0 1 267.800 3.684 20 0 CHADMN CO[C@H]1CCN(Cc2ccc(Cl)c(C(C)C)c2)C1 ZINC001238219586 1117824280 /nfs/dbraw/zinc/82/42/80/1117824280.db2.gz QLRGTJARLKOOBW-ZDUSSCGKSA-N 0 1 267.800 3.684 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[C@H](C)N1CCc2n[nH]cc2C1 ZINC000623242150 1117825849 /nfs/dbraw/zinc/82/58/49/1117825849.db2.gz QNKAUURGNTYWEL-RYUDHWBXSA-N 0 1 289.810 3.613 20 0 CHADMN CC(C)c1cc(CN2CCC[C@@](C)(O)C2)ccc1Cl ZINC001238230286 1117828856 /nfs/dbraw/zinc/82/88/56/1117828856.db2.gz XJMQOPUTEVITAZ-MRXNPFEDSA-N 0 1 281.827 3.810 20 0 CHADMN CCCc1nc(CN(CCC)CC2CC2)cs1 ZINC000045004032 1117830553 /nfs/dbraw/zinc/83/05/53/1117830553.db2.gz WGMFMEURQMEQGU-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN Oc1ccc(CN2CCC(CC(F)(F)F)CC2)cc1 ZINC000671311624 1117830459 /nfs/dbraw/zinc/83/04/59/1117830459.db2.gz MUIUHXGIEGYJOH-UHFFFAOYSA-N 0 1 273.298 3.557 20 0 CHADMN CC(C)C[C@@H](C)C[C@H](C)N1CCN(C(=O)C(C)(C)C)CC1 ZINC001258073465 1128737631 /nfs/dbraw/zinc/73/76/31/1128737631.db2.gz CQKNRAUHHCPUPK-CVEARBPZSA-N 0 1 296.499 3.638 20 0 CHADMN Cc1ccc(CNCc2ccc(F)c(F)c2N(C)C)cc1 ZINC000623338325 1117834650 /nfs/dbraw/zinc/83/46/50/1117834650.db2.gz VIINMQUAISGGTE-UHFFFAOYSA-N 0 1 290.357 3.629 20 0 CHADMN Cc1ccoc1CN(C)Cc1ccc2occc2c1 ZINC000430192975 1117837257 /nfs/dbraw/zinc/83/72/57/1117837257.db2.gz DYZWXWBEBTZXJL-UHFFFAOYSA-N 0 1 255.317 3.966 20 0 CHADMN CC(C)C[C@H](C)C[C@@H](C)N1CCN(C(=O)C(C)(C)C)CC1 ZINC001258073468 1128737853 /nfs/dbraw/zinc/73/78/53/1128737853.db2.gz CQKNRAUHHCPUPK-JKSUJKDBSA-N 0 1 296.499 3.638 20 0 CHADMN Clc1ccsc1CNc1cc2c(cn1)CCC2 ZINC000339552695 1117848222 /nfs/dbraw/zinc/84/82/22/1117848222.db2.gz GFKHNBYJLFPCNN-UHFFFAOYSA-N 0 1 264.781 3.897 20 0 CHADMN CC[C@@H](NCc1cccc2c1OCC2)c1ccsc1 ZINC000692952793 1117848410 /nfs/dbraw/zinc/84/84/10/1117848410.db2.gz XQHFLCTXIYWUDD-OAHLLOKOSA-N 0 1 273.401 3.924 20 0 CHADMN c1[nH]c(CNc2cc3c(cn2)CCC3)nc1-c1ccccc1 ZINC000339552600 1117849279 /nfs/dbraw/zinc/84/92/79/1117849279.db2.gz CSOXUMCMQRNIDW-UHFFFAOYSA-N 0 1 290.370 3.573 20 0 CHADMN CC(C)Oc1ccccc1CNc1cc2c(cn1)CCC2 ZINC000339553962 1117850350 /nfs/dbraw/zinc/85/03/50/1117850350.db2.gz JQBARYAYILNEPW-UHFFFAOYSA-N 0 1 282.387 3.970 20 0 CHADMN Fc1cc(F)c(CNc2cc3c(cn2)CCC3)cc1F ZINC000339553210 1117850678 /nfs/dbraw/zinc/85/06/78/1117850678.db2.gz GVXQZVJEEDLSDN-UHFFFAOYSA-N 0 1 278.277 3.600 20 0 CHADMN Cc1cc([C@H](C)[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)oc1C(=O)[O-] ZINC000579118750 1128738764 /nfs/dbraw/zinc/73/87/64/1128738764.db2.gz AJSYKYZCYBRCKI-ZUCKAHLUSA-N 0 1 291.391 3.859 20 0 CHADMN CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185614653 1117858350 /nfs/dbraw/zinc/85/83/50/1117858350.db2.gz HSVQPVWFHFRABM-OLZOCXBDSA-N 0 1 299.842 3.741 20 0 CHADMN CC[C@@H]1CCN1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000430203344 1117859085 /nfs/dbraw/zinc/85/90/85/1117859085.db2.gz JFDXVMOKVMTCRJ-LLVKDONJSA-N 0 1 291.288 3.751 20 0 CHADMN CC(F)(F)CCNCc1c(F)ccc(F)c1Cl ZINC000623534281 1117865412 /nfs/dbraw/zinc/86/54/12/1117865412.db2.gz GQWWAZHCQRYZED-UHFFFAOYSA-N 0 1 269.669 3.753 20 0 CHADMN Cc1cc(C)cc(CNCc2ccncc2Cl)c1 ZINC000623564415 1117873396 /nfs/dbraw/zinc/87/33/96/1117873396.db2.gz BZZPJDVLLRXICY-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1Cc1csc(C(C)(C)C)n1 ZINC000177881362 1117881713 /nfs/dbraw/zinc/88/17/13/1117881713.db2.gz WOOKZCCXBWHVSI-WDEREUQCSA-N 0 1 252.427 3.671 20 0 CHADMN Cc1cc(C/N=C/c2cc(Cl)cc(Cl)c2O)no1 ZINC000049064729 1128741692 /nfs/dbraw/zinc/74/16/92/1128741692.db2.gz HHYVGEWGFAVFBX-PJQLUOCWSA-N 0 1 285.130 3.615 20 0 CHADMN CC[C@H]1C[C@H](NCc2c(Cl)oc3ccccc32)CO1 ZINC000623644930 1117885129 /nfs/dbraw/zinc/88/51/29/1117885129.db2.gz GYXOIYCJQQNRIE-QWRGUYRKSA-N 0 1 279.767 3.743 20 0 CHADMN Cc1oc([C@H](C)[N@H+]2CCC[C@@H]2c2ccco2)cc1C(=O)[O-] ZINC000579240116 1128741765 /nfs/dbraw/zinc/74/17/65/1128741765.db2.gz BFHBVXLPMSWABF-GXFFZTMASA-N 0 1 289.331 3.777 20 0 CHADMN CCCC(=O)Nc1ccc(CN[C@@H](C)c2ccoc2)cc1 ZINC000178115624 1117886373 /nfs/dbraw/zinc/88/63/73/1117886373.db2.gz DWYWUDGTARXHER-ZDUSSCGKSA-N 0 1 286.375 3.869 20 0 CHADMN Cc1cc(C)n(-c2ccccc2CN[C@@H](C)c2ccoc2)n1 ZINC000178480248 1117892428 /nfs/dbraw/zinc/89/24/28/1117892428.db2.gz DBSFVDJWSPHQJP-HNNXBMFYSA-N 0 1 295.386 3.933 20 0 CHADMN Cc1ccnc(C[N@@H+](CCc2ccccc2)C2CCCC2)n1 ZINC000339591611 1117894728 /nfs/dbraw/zinc/89/47/28/1117894728.db2.gz WLRJAVRYYNYMKQ-UHFFFAOYSA-N 0 1 295.430 3.772 20 0 CHADMN CSc1ccc(CN[C@@H](C)c2cn3ccccc3n2)cc1 ZINC000579261025 1128742359 /nfs/dbraw/zinc/74/23/59/1128742359.db2.gz WINMZXKVYLTOLO-ZDUSSCGKSA-N 0 1 297.427 3.907 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@@H](CO)c1ccsc1 ZINC000349430788 1117899203 /nfs/dbraw/zinc/89/92/03/1117899203.db2.gz SPSBCHYFHFXNMS-KCXAZCMYSA-N 0 1 287.428 3.928 20 0 CHADMN COCc1cccc(-c2nc3ccc(C)cc3[nH]2)c1 ZINC000178970000 1117899608 /nfs/dbraw/zinc/89/96/08/1117899608.db2.gz ORPJXTVIOORBCQ-UHFFFAOYSA-N 0 1 252.317 3.685 20 0 CHADMN CC(C)CN(C(=O)c1cc(C2CCCCC2)[nH]n1)C1CC1 ZINC000179446385 1117906434 /nfs/dbraw/zinc/90/64/34/1117906434.db2.gz REHNPRWLOPRWCJ-UHFFFAOYSA-N 0 1 289.423 3.718 20 0 CHADMN CN(Cc1cccc(Cl)c1)Cc1cccc2nccn21 ZINC000179575627 1117907856 /nfs/dbraw/zinc/90/78/56/1117907856.db2.gz PXNFCZCWBOLLAL-UHFFFAOYSA-N 0 1 285.778 3.620 20 0 CHADMN C[C@H](C(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1)C1CCCC1 ZINC000615283174 1128743219 /nfs/dbraw/zinc/74/32/19/1128743219.db2.gz PLGDCHZWZSFBSI-NSHDSACASA-N 0 1 299.374 3.547 20 0 CHADMN CC1(C)CCC[C@H]1C(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000615283344 1128743290 /nfs/dbraw/zinc/74/32/90/1128743290.db2.gz SACINDNWHXUVRZ-LBPRGKRZSA-N 0 1 299.374 3.547 20 0 CHADMN Clc1ccc2c(c1)[C@@H](NCc1cncs1)CCC2 ZINC000623751971 1117919246 /nfs/dbraw/zinc/91/92/46/1117919246.db2.gz ULOWHZKCYKUGER-AWEZNQCLSA-N 0 1 278.808 3.964 20 0 CHADMN COc1ccc(OCCC[N@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000471172785 1117919681 /nfs/dbraw/zinc/91/96/81/1117919681.db2.gz MRLGDAWICRWQEL-LJQANCHMSA-N 0 1 297.398 3.911 20 0 CHADMN C[C@]1(F)CCN(CCc2ccc(Cl)cc2)C[C@H]1F ZINC001208736359 1117926860 /nfs/dbraw/zinc/92/68/60/1117926860.db2.gz CQFGOOQZAAROHT-KGLIPLIRSA-N 0 1 273.754 3.655 20 0 CHADMN CCc1ccc(CN(C)Cc2ccccc2N(C)C)o1 ZINC000579291207 1128744334 /nfs/dbraw/zinc/74/43/34/1128744334.db2.gz GENMYMFHIRHPDM-UHFFFAOYSA-N 0 1 272.392 3.540 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)C1CCC(C2CC2)CC1 ZINC001625807237 1117929254 /nfs/dbraw/zinc/92/92/54/1117929254.db2.gz SUQRUCQDOLJIJH-UHFFFAOYSA-N 0 1 283.375 3.718 20 0 CHADMN c1c2ccccc2[nH]c1CN1CCOCC12CCCCC2 ZINC000648795749 1117929277 /nfs/dbraw/zinc/92/92/77/1117929277.db2.gz HEKDRIOHIYTXJF-UHFFFAOYSA-N 0 1 284.403 3.703 20 0 CHADMN CC=C(C)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000254984251 1117933291 /nfs/dbraw/zinc/93/32/91/1117933291.db2.gz GWTIHXSVSPVZKB-POHAHGRESA-N 0 1 271.364 3.765 20 0 CHADMN CCC[C@H](C)CN1CCO[C@H](c2ccsc2)C1 ZINC000180545356 1117935366 /nfs/dbraw/zinc/93/53/66/1117935366.db2.gz RAAVNIAUBYJSEO-JSGCOSHPSA-N 0 1 253.411 3.558 20 0 CHADMN Cn1ccnc1CNC(C)(C)c1ccc2ccccc2c1 ZINC000623803959 1117936942 /nfs/dbraw/zinc/93/69/42/1117936942.db2.gz ZXBFZDUFCNENDO-UHFFFAOYSA-N 0 1 279.387 3.598 20 0 CHADMN C[C@H]1CN(Cc2cccc3nccn32)[C@@H]1c1ccccc1 ZINC000180653664 1117937180 /nfs/dbraw/zinc/93/71/80/1117937180.db2.gz LUBWCBXZHDMSRO-KSSFIOAISA-N 0 1 277.371 3.527 20 0 CHADMN Cc1cc(CNC(C)(C)c2ccc3ccccc3c2)nn1C ZINC000623803904 1117937416 /nfs/dbraw/zinc/93/74/16/1117937416.db2.gz YBAYDWAYNDRHQU-UHFFFAOYSA-N 0 1 293.414 3.907 20 0 CHADMN c1nc2cc(-c3noc([C@H]4C[C@@H]4C4CCC4)n3)ccc2[nH]1 ZINC000351421933 1117937503 /nfs/dbraw/zinc/93/75/03/1117937503.db2.gz MIWXDUNDMMUVFD-NEPJUHHUSA-N 0 1 280.331 3.517 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCC[C@@H]1CC1CCCC1 ZINC000655363618 1117941964 /nfs/dbraw/zinc/94/19/64/1117941964.db2.gz PPDDZKQFDYOQGS-CYBMUJFWSA-N 0 1 291.366 3.716 20 0 CHADMN O=C(c1cccc2[nH]cnc21)N1CCC[C@@H]1CC1CCCC1 ZINC000655364257 1117943554 /nfs/dbraw/zinc/94/35/54/1117943554.db2.gz JNCJRSDIIPVALO-CQSZACIVSA-N 0 1 297.402 3.748 20 0 CHADMN Cc1oncc1CN1Cc2cc(C)ccc2CC1(C)C ZINC000339635984 1117943809 /nfs/dbraw/zinc/94/38/09/1117943809.db2.gz JJWXQBZGDUCEBP-UHFFFAOYSA-N 0 1 270.376 3.628 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000430259180 1117946222 /nfs/dbraw/zinc/94/62/22/1117946222.db2.gz ADVHJEQCGSZRQG-GFCCVEGCSA-N 0 1 286.350 3.879 20 0 CHADMN CCCC[N@@H+](Cc1nnc(C)o1)[C@H]1CCC[C@@H](C)C1 ZINC000339649292 1117946813 /nfs/dbraw/zinc/94/68/13/1117946813.db2.gz UEITYMJJWXDLKO-OCCSQVGLSA-N 0 1 265.401 3.559 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cccc(F)n1)[C@@H](C)C2 ZINC000779135178 1128745802 /nfs/dbraw/zinc/74/58/02/1128745802.db2.gz ACGYLBITEVNZET-SJCJKPOMSA-N 0 1 270.351 3.552 20 0 CHADMN Cc1csc([C@H](C)N[C@H](C)COc2cccc(F)c2)n1 ZINC000623870339 1117949098 /nfs/dbraw/zinc/94/90/98/1117949098.db2.gz WUWXLLKUHUODRP-PWSUYJOCSA-N 0 1 294.395 3.709 20 0 CHADMN CCC(CC)c1cc(CN[C@@H](C)[C@@H]2CCCCO2)on1 ZINC000623899885 1117951306 /nfs/dbraw/zinc/95/13/06/1117951306.db2.gz WLIFGAFLAGCWOP-LRDDRELGSA-N 0 1 280.412 3.625 20 0 CHADMN FC(F)(F)c1cncc(CN2CC[C@H](CC3CC3)C2)c1 ZINC000339676469 1117952374 /nfs/dbraw/zinc/95/23/74/1117952374.db2.gz CXHGJOODHIRZGS-GFCCVEGCSA-N 0 1 284.325 3.722 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cccnc1)c1ccccc1OC ZINC000036995132 1117955348 /nfs/dbraw/zinc/95/53/48/1117955348.db2.gz FEUVQKBXYJZVQG-XJKSGUPXSA-N 0 1 270.376 3.892 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@H](C)c1nc(C)cs1 ZINC000623960567 1117962219 /nfs/dbraw/zinc/96/22/19/1117962219.db2.gz AMBKQQXASDPNHY-BDAKNGLRSA-N 0 1 266.332 3.833 20 0 CHADMN C[C@@H](NC[C@@H](C)c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000237608104 1128746795 /nfs/dbraw/zinc/74/67/95/1128746795.db2.gz GYPZOLDHPVGWON-CHWSQXEVSA-N 0 1 287.407 3.821 20 0 CHADMN CSCc1cccc(NC(=O)c2cccc3cn[nH]c32)c1 ZINC000109300191 1117965829 /nfs/dbraw/zinc/96/58/29/1117965829.db2.gz VZHZFFCFOLMNOF-UHFFFAOYSA-N 0 1 297.383 3.678 20 0 CHADMN CC[C@H](C)c1ccc([C@@H](C)NCc2cnnn2CC)cc1 ZINC000624025701 1117974391 /nfs/dbraw/zinc/97/43/91/1117974391.db2.gz JVCHLTISXLRZEX-UONOGXRCSA-N 0 1 286.423 3.662 20 0 CHADMN COc1cnc(CN2CCC23CCCCC3)c(Cl)c1 ZINC001238481942 1117974481 /nfs/dbraw/zinc/97/44/81/1117974481.db2.gz ANJVQDWQCVAHKA-UHFFFAOYSA-N 0 1 280.799 3.652 20 0 CHADMN Cc1cc([C@@H](NCc2ccns2)C2CC2)ccc1F ZINC000624047465 1117975675 /nfs/dbraw/zinc/97/56/75/1117975675.db2.gz CSLFFFRXJMPIGX-HNNXBMFYSA-N 0 1 276.380 3.832 20 0 CHADMN C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1ccns1 ZINC000624047476 1117975707 /nfs/dbraw/zinc/97/57/07/1117975707.db2.gz DLUREMATUITDLM-ZUZCIYMTSA-N 0 1 276.380 3.695 20 0 CHADMN C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccc(Br)cc1[O-] ZINC000186057167 1117979164 /nfs/dbraw/zinc/97/91/64/1117979164.db2.gz FUOBESQLLRBPFC-PWSUYJOCSA-N 0 1 296.208 3.914 20 0 CHADMN CC(C)[C@H]1CN(Cc2sccc2Cl)CCCO1 ZINC000339815569 1117979179 /nfs/dbraw/zinc/97/91/79/1117979179.db2.gz CDYCRJSHZGEUCI-GFCCVEGCSA-N 0 1 273.829 3.648 20 0 CHADMN CCc1nnc(CN(CC)[C@@H]2CCCC[C@@H]2C)s1 ZINC000120110220 1117981901 /nfs/dbraw/zinc/98/19/01/1117981901.db2.gz GPLOXLHJTRCYHW-NWDGAFQWSA-N 0 1 267.442 3.501 20 0 CHADMN c1cc([C@@H]2CCCC[N@@H+]2CCCc2ccccc2)n[nH]1 ZINC000510143079 1117983489 /nfs/dbraw/zinc/98/34/89/1117983489.db2.gz JNXBNTVRDLHXLI-KRWDZBQOSA-N 0 1 269.392 3.570 20 0 CHADMN Cc1ncccc1CN[C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000624164295 1117991503 /nfs/dbraw/zinc/99/15/03/1117991503.db2.gz CJOGYWGYLZTGOW-MRXNPFEDSA-N 0 1 290.769 3.960 20 0 CHADMN C#CCCCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000186103700 1117994489 /nfs/dbraw/zinc/99/44/89/1117994489.db2.gz QXJNNBRYXBGFOL-LLVKDONJSA-N 0 1 296.208 3.609 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)C(=O)c1cccc2n[nH]cc21 ZINC000042042260 1117996337 /nfs/dbraw/zinc/99/63/37/1117996337.db2.gz AVECTPZSRYKRMB-NSHDSACASA-N 0 1 297.333 3.535 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)N(C)C[C@H](O)C(F)(F)F ZINC000181295748 1117997737 /nfs/dbraw/zinc/99/77/37/1117997737.db2.gz DIVLBWNPRCFKAG-ABAIWWIYSA-N 0 1 297.320 3.756 20 0 CHADMN Cc1ccc(C(=O)Nc2nc(-c3cccs3)n[nH]2)cc1C ZINC000077044050 1118005466 /nfs/dbraw/zinc/00/54/66/1118005466.db2.gz JEVQWXJXOQXONK-UHFFFAOYSA-N 0 1 298.371 3.786 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNCc2ccc3c(c2)CCO3)o1 ZINC000077329683 1118007481 /nfs/dbraw/zinc/00/74/81/1118007481.db2.gz FUBROJAUYIVKLE-MLGOLLRUSA-N 0 1 283.371 3.628 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cncc(C)c1)CCCO2 ZINC000181842027 1118008510 /nfs/dbraw/zinc/00/85/10/1118008510.db2.gz MXPWBOZLCDGRRA-QGZVFWFLSA-N 0 1 282.387 3.702 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN(C)C1CCCC1 ZINC000037395219 1118010158 /nfs/dbraw/zinc/01/01/58/1118010158.db2.gz SBUKXCVIBOIDIF-UHFFFAOYSA-N 0 1 275.392 3.662 20 0 CHADMN Cc1[nH]ncc1CNc1ccc(Oc2ccc(C)cc2)nc1 ZINC000181946268 1118010576 /nfs/dbraw/zinc/01/05/76/1118010576.db2.gz LGPKWMHZDKWOPL-UHFFFAOYSA-N 0 1 294.358 3.826 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCC[C@H](CC)C1 ZINC000037404885 1118011280 /nfs/dbraw/zinc/01/12/80/1118011280.db2.gz HGTWZYOKKGLBNO-HNNXBMFYSA-N 0 1 289.419 3.910 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1ncc(Cl)cc1Cl ZINC000181985540 1118011600 /nfs/dbraw/zinc/01/16/00/1118011600.db2.gz SIIAIEYGCDLVFV-QMMMGPOBSA-N 0 1 259.180 3.619 20 0 CHADMN C[C@H](NCc1cocn1)C(c1ccccc1)c1ccccc1 ZINC000182064193 1118012971 /nfs/dbraw/zinc/01/29/71/1118012971.db2.gz RTMDQGUXZZERBM-HNNXBMFYSA-N 0 1 292.382 3.985 20 0 CHADMN CCCCN(CCCO)[C@@H](C)c1c(F)cccc1F ZINC000182162420 1118014723 /nfs/dbraw/zinc/01/47/23/1118014723.db2.gz CUNRIWDLNMZBRI-LBPRGKRZSA-N 0 1 271.351 3.510 20 0 CHADMN Cc1nc(-c2ccccc2)sc1[C@H](C)NCc1cn[nH]c1 ZINC000624217098 1118018683 /nfs/dbraw/zinc/01/86/83/1118018683.db2.gz BEEOQHTZUXOWOW-NSHDSACASA-N 0 1 298.415 3.692 20 0 CHADMN Cc1cc([C@H](C)NCc2cc(C)ccn2)c(C)s1 ZINC000328038991 1118024940 /nfs/dbraw/zinc/02/49/40/1118024940.db2.gz WXTCYSYJJZHFQR-LBPRGKRZSA-N 0 1 260.406 3.919 20 0 CHADMN CCOc1cccc(CNc2ccc3c[nH]nc3c2)c1 ZINC000037678910 1118026700 /nfs/dbraw/zinc/02/67/00/1118026700.db2.gz NJNGKAUYULZCCI-UHFFFAOYSA-N 0 1 267.332 3.574 20 0 CHADMN Fc1ccc(-c2noc([C@@H]3CCN3C3CCCC3)n2)cc1 ZINC000923771548 1118033513 /nfs/dbraw/zinc/03/35/13/1118033513.db2.gz UADNLZHJHSBVAK-AWEZNQCLSA-N 0 1 287.338 3.565 20 0 CHADMN CC(C)Cn1cc(CN(Cc2ccccc2)C2CC2)cn1 ZINC000183021640 1118036110 /nfs/dbraw/zinc/03/61/10/1118036110.db2.gz LHODUWXJFMDBGM-UHFFFAOYSA-N 0 1 283.419 3.704 20 0 CHADMN Cc1cccc(CNCc2cc(C)c(C)cc2C)n1 ZINC000048329715 1118041821 /nfs/dbraw/zinc/04/18/21/1118041821.db2.gz BZBPMBWGXBYMOR-UHFFFAOYSA-N 0 1 254.377 3.605 20 0 CHADMN Cc1cc(C)cc([C@H]2CCN(Cc3nccs3)C2)c1 ZINC000183478041 1118045334 /nfs/dbraw/zinc/04/53/34/1118045334.db2.gz KWLCOCYQPQNWTB-AWEZNQCLSA-N 0 1 272.417 3.749 20 0 CHADMN CCn1ccnc1CN1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000183486581 1118045452 /nfs/dbraw/zinc/04/54/52/1118045452.db2.gz VZOKTLBUROAUNC-MRXNPFEDSA-N 0 1 283.419 3.509 20 0 CHADMN COC(=O)c1ccc(CNC2(c3ccccc3)CCCC2)o1 ZINC000183535253 1118045724 /nfs/dbraw/zinc/04/57/24/1118045724.db2.gz NIFAUDBXYWLGCB-UHFFFAOYSA-N 0 1 299.370 3.625 20 0 CHADMN CC12CC(C1)CN2Cc1coc(-c2c(F)cccc2F)n1 ZINC000662385183 1118048574 /nfs/dbraw/zinc/04/85/74/1118048574.db2.gz MNBSHTTWUXGZKG-UHFFFAOYSA-N 0 1 290.313 3.604 20 0 CHADMN CC(C)[C@@H](CO)Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000443894728 1118049978 /nfs/dbraw/zinc/04/99/78/1118049978.db2.gz IGNIZVYQJIMHMC-CQSZACIVSA-N 0 1 298.308 3.682 20 0 CHADMN Cc1csc([C@H](C)NCCOc2ccc(Cl)cc2)n1 ZINC000184140729 1118051561 /nfs/dbraw/zinc/05/15/61/1118051561.db2.gz VILUEWKXYIIXHS-NSHDSACASA-N 0 1 296.823 3.835 20 0 CHADMN CC(C)=CCN[C@H](COCC(C)C)c1ccco1 ZINC000184193687 1118052343 /nfs/dbraw/zinc/05/23/43/1118052343.db2.gz LTTFNUSMCHNVCZ-CQSZACIVSA-N 0 1 251.370 3.549 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2n[nH]cc21)c1cc2ccccc2o1 ZINC000367538938 1118056011 /nfs/dbraw/zinc/05/60/11/1118056011.db2.gz UUGUXKOYZJDMFH-BXUZGUMPSA-N 0 1 281.359 3.884 20 0 CHADMN CCCC[C@H](NCc1nc([C@H](C)OCC)no1)C1CCC1 ZINC000184869254 1118057877 /nfs/dbraw/zinc/05/78/77/1118057877.db2.gz UCLBVOLOLSVFDU-JSGCOSHPSA-N 0 1 295.427 3.616 20 0 CHADMN CCCC[C@@H](N[C@H](C)c1nc(CC)no1)C1CCC1 ZINC000184874944 1118058478 /nfs/dbraw/zinc/05/84/78/1118058478.db2.gz ZEPCGZXCJJUDAT-DGCLKSJQSA-N 0 1 265.401 3.642 20 0 CHADMN CC[C@@H](NCCOc1ccc(Cl)cc1)c1nccs1 ZINC000185041695 1118059639 /nfs/dbraw/zinc/05/96/39/1118059639.db2.gz RXGMFOJXDXGZHK-CYBMUJFWSA-N 0 1 296.823 3.916 20 0 CHADMN CCN(C(=O)c1cc(C)cc2c[nH]nc21)[C@H]1CCCC[C@H]1C ZINC000340134377 1118078751 /nfs/dbraw/zinc/07/87/51/1118078751.db2.gz ZCRCHEWRSPKVMD-CJNGLKHVSA-N 0 1 299.418 3.912 20 0 CHADMN CCn1cc([C@@H](C)N[C@@H](C)c2csc(C)c2)cn1 ZINC000295817081 1118083384 /nfs/dbraw/zinc/08/33/84/1118083384.db2.gz BMYOQQQEOOLPOV-NWDGAFQWSA-N 0 1 263.410 3.685 20 0 CHADMN COc1c(Cl)ccc(CN2C[C@@H]3CCC[C@@H]3C2)c1F ZINC001209696334 1118086015 /nfs/dbraw/zinc/08/60/15/1118086015.db2.gz JZMCOVUOGNVGAX-PHIMTYICSA-N 0 1 283.774 3.720 20 0 CHADMN Fc1ccc(Nc2ccc3nc[nH]c3c2)c(F)c1F ZINC001209849091 1118099132 /nfs/dbraw/zinc/09/91/32/1118099132.db2.gz WUQIQUMKMJRCED-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN C[C@@H](NCCOc1ccccc1F)c1cccnc1Cl ZINC000764591172 1118100764 /nfs/dbraw/zinc/10/07/64/1118100764.db2.gz KEWMMWPLOAXENH-LLVKDONJSA-N 0 1 294.757 3.604 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccco1 ZINC000764628317 1118102814 /nfs/dbraw/zinc/10/28/14/1118102814.db2.gz MDOYXRLPNIXCAL-VXGBXAGGSA-N 0 1 284.359 3.576 20 0 CHADMN CCCc1ccc(CN2C[C@H](C)OC(C)(C)C2)cc1 ZINC001167218801 1118103565 /nfs/dbraw/zinc/10/35/65/1118103565.db2.gz SDXRISDAYQMELD-AWEZNQCLSA-N 0 1 261.409 3.638 20 0 CHADMN O=C(/C=C/c1ccccc1)Nc1cccc(Cl)c1O ZINC000179722719 1128756376 /nfs/dbraw/zinc/75/63/76/1128756376.db2.gz IPSVWZDVDXAEHJ-MDZDMXLPSA-N 0 1 273.719 3.698 20 0 CHADMN C[C@H](NC1CCC(C(C)(C)C)CC1)c1csnn1 ZINC000398292126 1118118583 /nfs/dbraw/zinc/11/85/83/1118118583.db2.gz ISWJGTZWRAJUGZ-UNXYVOJBSA-N 0 1 267.442 3.794 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(C)c2ccccc2n1 ZINC001209961064 1118119345 /nfs/dbraw/zinc/11/93/45/1118119345.db2.gz CQLPNIXFVOIOER-UHFFFAOYSA-N 0 1 264.332 3.572 20 0 CHADMN Cc1nsc(C)c1CN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000653610376 1118119934 /nfs/dbraw/zinc/11/99/34/1118119934.db2.gz FLFOJLGBPHYPDQ-GZMMTYOYSA-N 0 1 292.370 3.923 20 0 CHADMN CC[C@H](N[C@H](C)c1cnc(C)nc1C)c1ccccc1OC ZINC000764885494 1118124434 /nfs/dbraw/zinc/12/44/34/1118124434.db2.gz YFCIEENGTILIIO-DYVFJYSZSA-N 0 1 299.418 3.904 20 0 CHADMN CN(CCC(C)(C)C1CC1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660768212 1118126176 /nfs/dbraw/zinc/12/61/76/1118126176.db2.gz QOYDJPHVTPHIAJ-MRXNPFEDSA-N 0 1 298.434 3.652 20 0 CHADMN Cc1ccc(CNCc2ccccc2N2CCCCC2)cn1 ZINC000764973248 1118128299 /nfs/dbraw/zinc/12/82/99/1118128299.db2.gz MVZZZZYKVQRZFD-UHFFFAOYSA-N 0 1 295.430 3.670 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1cccnc1OC(C)C ZINC000764984715 1118129872 /nfs/dbraw/zinc/12/98/72/1118129872.db2.gz LRPICXLCJMAWFF-GOSISDBHSA-N 0 1 296.414 3.954 20 0 CHADMN C[C@H](NCCO[C@H]1CCCC[C@H]1C)c1cccnc1Cl ZINC000765240695 1118140028 /nfs/dbraw/zinc/14/00/28/1118140028.db2.gz XOWAKOKUFXXSRM-IPYPFGDCSA-N 0 1 296.842 3.981 20 0 CHADMN Cc1cnc(CN[C@H](C)c2csc3ccccc32)cn1 ZINC000765246852 1118140280 /nfs/dbraw/zinc/14/02/80/1118140280.db2.gz YDYJFSCKVYBLAY-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1ccc([C@@H](O)CN[C@@H](C)c2c(F)cccc2F)cc1 ZINC000765271982 1118141428 /nfs/dbraw/zinc/14/14/28/1118141428.db2.gz QONPLQKFSXVAMG-LRDDRELGSA-N 0 1 291.341 3.657 20 0 CHADMN C[C@@H](NCc1ccc(F)c(F)c1)c1ccnc(Cl)c1 ZINC000765332506 1118145243 /nfs/dbraw/zinc/14/52/43/1118145243.db2.gz QCULMPLOURXWLM-SECBINFHSA-N 0 1 282.721 3.864 20 0 CHADMN CCc1ccc(NC(=O)C[N@H+](C(CC)CC)C2CC2)cc1 ZINC001167279581 1118145810 /nfs/dbraw/zinc/14/58/10/1118145810.db2.gz NOYQDFAHCDTTKA-UHFFFAOYSA-N 0 1 288.435 3.841 20 0 CHADMN CC(C)C[C@@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC000074995351 1128758676 /nfs/dbraw/zinc/75/86/76/1128758676.db2.gz YGQUMJQERQHMTF-ZDUSSCGKSA-N 0 1 250.386 3.666 20 0 CHADMN CC(C)C[C@@H]1CCN(Cc2ncc(C(C)C)o2)C1 ZINC000074995351 1128758678 /nfs/dbraw/zinc/75/86/78/1128758678.db2.gz YGQUMJQERQHMTF-ZDUSSCGKSA-N 0 1 250.386 3.666 20 0 CHADMN CC(C)C[C@H]1CC[N@@H+](Cc2cccnc2Cl)C1 ZINC000074995140 1128758816 /nfs/dbraw/zinc/75/88/16/1128758816.db2.gz IUZQGGBUTRVRCU-GFCCVEGCSA-N 0 1 252.789 3.603 20 0 CHADMN Cc1cc(CNCc2nccc3c2CCCC3)ccc1F ZINC000921512374 1118150801 /nfs/dbraw/zinc/15/08/01/1118150801.db2.gz IHXOQQFPCHIMMB-UHFFFAOYSA-N 0 1 284.378 3.698 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1F)C1CCC(C)(C)CC1 ZINC000094862256 1118152756 /nfs/dbraw/zinc/15/27/56/1118152756.db2.gz UPCUGSABTKHEFF-UHFFFAOYSA-N 0 1 293.382 3.925 20 0 CHADMN CCCn1c(CN[C@H]2CCC(F)(F)C2)nc2ccccc21 ZINC000315486653 1118155620 /nfs/dbraw/zinc/15/56/20/1118155620.db2.gz MNZHXQXXCHUWSE-LBPRGKRZSA-N 0 1 293.361 3.724 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)NCc1cccn1C ZINC000050595662 1118156925 /nfs/dbraw/zinc/15/69/25/1118156925.db2.gz PUXKHZIHPOJUDS-CQSZACIVSA-N 0 1 272.392 3.663 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)[C@H](C(=O)[O-])C1 ZINC000129344941 1118156943 /nfs/dbraw/zinc/15/69/43/1118156943.db2.gz VPDHYEYEKZAQHN-CJNGLKHVSA-N 0 1 289.419 3.669 20 0 CHADMN CC(C)c1ccc(CN(C)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000016376070 1118168295 /nfs/dbraw/zinc/16/82/95/1118168295.db2.gz YOYZZIPJDMNNNP-AWEZNQCLSA-N 0 1 290.451 3.545 20 0 CHADMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000016445133 1118168338 /nfs/dbraw/zinc/16/83/38/1118168338.db2.gz GWEXKKUZLRDIEC-SFHVURJKSA-N 0 1 294.398 3.771 20 0 CHADMN CCOC(=O)[C@H](CCc1ccccc1)N(C)CC(C)(C)C ZINC001167291218 1118178991 /nfs/dbraw/zinc/17/89/91/1118178991.db2.gz IZVBXZOJTFNFAT-INIZCTEOSA-N 0 1 291.435 3.529 20 0 CHADMN Cc1ccsc1[C@@H](CO)N[C@@H](C)c1cc(F)cc(F)c1 ZINC000537954149 1118181565 /nfs/dbraw/zinc/18/15/65/1118181565.db2.gz VVIOJRRHDMNWGF-IINYFYTJSA-N 0 1 297.370 3.719 20 0 CHADMN CCn1cc(CN(Cc2csc(C)c2)C(C)C)cn1 ZINC000651959742 1118182079 /nfs/dbraw/zinc/18/20/79/1118182079.db2.gz ASRHXXCHQZOLBZ-UHFFFAOYSA-N 0 1 277.437 3.684 20 0 CHADMN Cc1cc2c(c(C)c1)[C@@H](NCc1cn3ccccc3n1)CC2 ZINC000655682253 1118182092 /nfs/dbraw/zinc/18/20/92/1118182092.db2.gz CKVBGCCJWUDKEN-KRWDZBQOSA-N 0 1 291.398 3.728 20 0 CHADMN CC(C)=CCC[C@H](C)N(C)CC(=O)c1ccccc1 ZINC001258094964 1128761843 /nfs/dbraw/zinc/76/18/43/1128761843.db2.gz BNPXXPXZEZQELE-HNNXBMFYSA-N 0 1 259.393 3.936 20 0 CHADMN Cc1ncncc1[C@@H](C)NC1(c2ccc(F)cc2)CCC1 ZINC000655741304 1118199032 /nfs/dbraw/zinc/19/90/32/1118199032.db2.gz HDUPCGOOUODKSD-CYBMUJFWSA-N 0 1 285.366 3.654 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000399420379 1118203149 /nfs/dbraw/zinc/20/31/49/1118203149.db2.gz ZEINUKIPOCTTQL-SNVBAGLBSA-N 0 1 283.437 3.869 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@@H]1CCCc2sccc21 ZINC000655757836 1118204162 /nfs/dbraw/zinc/20/41/62/1118204162.db2.gz YFRXHYZQSOMPJM-SMDDNHRTSA-N 0 1 273.405 3.575 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1cnn(C2CCC2)c1 ZINC000921613631 1118206320 /nfs/dbraw/zinc/20/63/20/1118206320.db2.gz KYOWHPGANJJQEQ-QGZVFWFLSA-N 0 1 285.366 3.524 20 0 CHADMN Cc1cc(CN[C@@H](c2cccc(F)c2)C(C)(C)C)n(C)n1 ZINC000417895175 1118206967 /nfs/dbraw/zinc/20/69/67/1118206967.db2.gz PHRGMDSTZAOHQU-INIZCTEOSA-N 0 1 289.398 3.745 20 0 CHADMN C[C@@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2Cl)C1 ZINC000026466896 1118208845 /nfs/dbraw/zinc/20/88/45/1118208845.db2.gz OOMVDMKPBQZJQB-CHWSQXEVSA-N 0 1 294.826 3.789 20 0 CHADMN CSc1ccccc1NC(=O)CN(C)[C@@H](C)CC(C)C ZINC000027137820 1118210046 /nfs/dbraw/zinc/21/00/46/1118210046.db2.gz FFSLCOXGQOPHRN-ZDUSSCGKSA-N 0 1 294.464 3.713 20 0 CHADMN c1cncc(CSc2n[nH]c(CCC3CCCC3)n2)c1 ZINC000027815736 1118211755 /nfs/dbraw/zinc/21/17/55/1118211755.db2.gz MRRPZEDLNILDAO-UHFFFAOYSA-N 0 1 288.420 3.615 20 0 CHADMN c1cncc(CSc2nc(CCC3CCCC3)n[nH]2)c1 ZINC000027815736 1118211758 /nfs/dbraw/zinc/21/17/58/1118211758.db2.gz MRRPZEDLNILDAO-UHFFFAOYSA-N 0 1 288.420 3.615 20 0 CHADMN Cc1ccccc1C1(N[C@H]2CCCn3ccnc32)CCC1 ZINC000655789951 1118213653 /nfs/dbraw/zinc/21/36/53/1118213653.db2.gz BWGCLAOOJZXBON-INIZCTEOSA-N 0 1 281.403 3.695 20 0 CHADMN CC(C)CC[N@H+](Cc1c([O-])ccc2ccncc21)C1CC1 ZINC000075582176 1128763279 /nfs/dbraw/zinc/76/32/79/1128763279.db2.gz VNFLJPNOMWTZEJ-UHFFFAOYSA-N 0 1 284.403 3.951 20 0 CHADMN CC(C)CC[N@@H+](Cc1c([O-])ccc2ccncc21)C1CC1 ZINC000075582176 1128763282 /nfs/dbraw/zinc/76/32/82/1128763282.db2.gz VNFLJPNOMWTZEJ-UHFFFAOYSA-N 0 1 284.403 3.951 20 0 CHADMN COc1c(C)cccc1CN[C@@H](C)c1cccc(O)c1 ZINC000655810181 1118219784 /nfs/dbraw/zinc/21/97/84/1118219784.db2.gz ILAOXKKNKFHWTP-ZDUSSCGKSA-N 0 1 271.360 3.560 20 0 CHADMN COc1c(C)cccc1CN[C@H](C)c1cccc(O)c1 ZINC000655810178 1118219871 /nfs/dbraw/zinc/21/98/71/1118219871.db2.gz ILAOXKKNKFHWTP-CYBMUJFWSA-N 0 1 271.360 3.560 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000051361586 1118220768 /nfs/dbraw/zinc/22/07/68/1118220768.db2.gz RIZQGQBKEKMYNF-UHFFFAOYSA-N 0 1 291.372 3.512 20 0 CHADMN COc1c(C)cccc1CN[C@H]1CCCc2ccc(O)cc21 ZINC000655812881 1118222411 /nfs/dbraw/zinc/22/24/11/1118222411.db2.gz SSUUIZFQROTXPH-SFHVURJKSA-N 0 1 297.398 3.876 20 0 CHADMN C[C@@H]1CCN(C(=O)c2cccc3n[nH]cc32)[C@H]2CCCC[C@@H]12 ZINC000615802355 1128763657 /nfs/dbraw/zinc/76/36/57/1128763657.db2.gz AEOBCXWJAGTBMU-IGCXYCKISA-N 0 1 297.402 3.604 20 0 CHADMN CSCCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000075741708 1128765453 /nfs/dbraw/zinc/76/54/53/1128765453.db2.gz GQCOGQPRNXTGRX-UHFFFAOYSA-N 0 1 279.449 3.890 20 0 CHADMN CSCCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000075741708 1128765456 /nfs/dbraw/zinc/76/54/56/1128765456.db2.gz GQCOGQPRNXTGRX-UHFFFAOYSA-N 0 1 279.449 3.890 20 0 CHADMN CCOc1cccc([C@H](C)NCc2ccnn2C2CCC2)c1 ZINC000921623640 1118233555 /nfs/dbraw/zinc/23/35/55/1118233555.db2.gz JVQUJLUPPPLOJW-AWEZNQCLSA-N 0 1 299.418 3.858 20 0 CHADMN Cc1ccc([C@@H](C)N(C)C(=O)c2cccc3n[nH]cc32)cc1 ZINC000042042165 1118234466 /nfs/dbraw/zinc/23/44/66/1118234466.db2.gz JIDYYHDSENRKHZ-CYBMUJFWSA-N 0 1 293.370 3.705 20 0 CHADMN CC[C@H](N[C@@H](CC)c1ccc(OC)cc1)c1ccn(C)n1 ZINC000542671238 1118237660 /nfs/dbraw/zinc/23/76/60/1118237660.db2.gz PSOZULZPLBEMGI-HOTGVXAUSA-N 0 1 287.407 3.621 20 0 CHADMN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cscn1 ZINC000172329373 1118239271 /nfs/dbraw/zinc/23/92/71/1118239271.db2.gz MXOMOONCPOHQFU-AAEUAGOBSA-N 0 1 276.380 3.660 20 0 CHADMN CCc1ccc(CCNCc2ncc(Cl)s2)cc1 ZINC000472054940 1118242036 /nfs/dbraw/zinc/24/20/36/1118242036.db2.gz XAYQWKGLCFRVMK-UHFFFAOYSA-N 0 1 280.824 3.691 20 0 CHADMN CC[C@H](C)C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615812196 1128764810 /nfs/dbraw/zinc/76/48/10/1128764810.db2.gz GVXAQQTWFUZFKI-UWVGGRQHSA-N 0 1 293.798 3.782 20 0 CHADMN Cc1csc(CN(C)C[C@H](C)c2ccccc2)n1 ZINC000172400408 1118251655 /nfs/dbraw/zinc/25/16/55/1118251655.db2.gz DBZPSSCCUMQLCV-LBPRGKRZSA-N 0 1 260.406 3.687 20 0 CHADMN C[C@@H]1CCCN(Cc2ncc(C(C)(C)C)o2)[C@H]1C ZINC000409445195 1118254631 /nfs/dbraw/zinc/25/46/31/1118254631.db2.gz SGSAMPLHCYEVFD-NEPJUHHUSA-N 0 1 250.386 3.593 20 0 CHADMN C[C@H]1CCCN(Cc2ncc(C(C)(C)C)o2)[C@H]1C ZINC000409445197 1118254663 /nfs/dbraw/zinc/25/46/63/1118254663.db2.gz SGSAMPLHCYEVFD-RYUDHWBXSA-N 0 1 250.386 3.593 20 0 CHADMN CCCc1nc(C[N@@H+](C)C2CCCCC2)cs1 ZINC000045914225 1118259340 /nfs/dbraw/zinc/25/93/40/1118259340.db2.gz HNOHZLGMCSWRBD-UHFFFAOYSA-N 0 1 252.427 3.860 20 0 CHADMN CCCc1nc(CN(C)C2CCCCC2)cs1 ZINC000045914225 1118259344 /nfs/dbraw/zinc/25/93/44/1118259344.db2.gz HNOHZLGMCSWRBD-UHFFFAOYSA-N 0 1 252.427 3.860 20 0 CHADMN Fc1cnc(Cl)c(CNC/C=C/c2ccccc2)c1 ZINC001651146133 1118260396 /nfs/dbraw/zinc/26/03/96/1118260396.db2.gz ZCZRIBGOBVGVOG-QPJJXVBHSA-N 0 1 276.742 3.677 20 0 CHADMN CSCC[C@H](C)N(C)Cc1nc2ccccc2s1 ZINC000172435191 1118261032 /nfs/dbraw/zinc/26/10/32/1118261032.db2.gz BLOGVSAEVGJVJS-NSHDSACASA-N 0 1 280.462 3.870 20 0 CHADMN COCC1(CN(C)Cc2nc3ccccc3s2)CCC1 ZINC000291118268 1118266460 /nfs/dbraw/zinc/26/64/60/1118266460.db2.gz UMRLKKDEKIDKML-UHFFFAOYSA-N 0 1 290.432 3.545 20 0 CHADMN C[C@@H](c1ccco1)N(C(=O)c1cccc2n[nH]cc21)C1CC1 ZINC000056184941 1118271093 /nfs/dbraw/zinc/27/10/93/1118271093.db2.gz VTUFBKZOPMXOSV-NSHDSACASA-N 0 1 295.342 3.522 20 0 CHADMN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC1=CCCCC1 ZINC000579979932 1118271929 /nfs/dbraw/zinc/27/19/29/1118271929.db2.gz CDOXUQFGEBQINH-IAGOWNOFSA-N 0 1 291.435 3.842 20 0 CHADMN Cc1noc([C@H](C)N2CCC[C@@](C)(c3ccccc3)CC2)n1 ZINC000671703861 1118273069 /nfs/dbraw/zinc/27/30/69/1118273069.db2.gz BQABVCDYYBKXJD-KBXCAEBGSA-N 0 1 299.418 3.883 20 0 CHADMN Cc1ccc([C@H](NCCOCC(C)C)c2ccccn2)cc1 ZINC000282175406 1118275039 /nfs/dbraw/zinc/27/50/39/1118275039.db2.gz VLCRDYYZDRWOQA-IBGZPJMESA-N 0 1 298.430 3.742 20 0 CHADMN CCCc1ccc([C@@H](NCc2nccn2C)C(C)C)cc1 ZINC000057622364 1118282519 /nfs/dbraw/zinc/28/25/19/1118282519.db2.gz LHFZXJWHYZOSAW-SFHVURJKSA-N 0 1 285.435 3.860 20 0 CHADMN CNC(=O)c1ccc(F)c(N=C2CCCCCCC2)c1 ZINC001210449664 1118287500 /nfs/dbraw/zinc/28/75/00/1118287500.db2.gz OQCXYGSFICHJFV-UHFFFAOYSA-N 0 1 276.355 3.835 20 0 CHADMN CC[C@@]1(NCc2cc(Cl)sc2Cl)CCOC1 ZINC000312596850 1118293074 /nfs/dbraw/zinc/29/30/74/1118293074.db2.gz GPDJHPLRPUNURC-LLVKDONJSA-N 0 1 280.220 3.714 20 0 CHADMN CC[C@H](NC[C@H]1CCC2(CCCC2)O1)c1nccs1 ZINC000229292777 1118293708 /nfs/dbraw/zinc/29/37/08/1118293708.db2.gz ORRLGUJHHYCFJF-OLZOCXBDSA-N 0 1 280.437 3.676 20 0 CHADMN C[C@H]1COCCCN1CCCc1c(F)cccc1Cl ZINC000683699786 1118294155 /nfs/dbraw/zinc/29/41/55/1118294155.db2.gz QNTWMNOBYBENFY-LBPRGKRZSA-N 0 1 285.790 3.523 20 0 CHADMN C[C@H]1CCCC[C@@H]1OCCN1CCc2sccc2C1 ZINC000058933288 1118294905 /nfs/dbraw/zinc/29/49/05/1118294905.db2.gz HWBGGBQOZABVQV-ZFWWWQNUSA-N 0 1 279.449 3.702 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)CC(C)C)[nH]c2c1 ZINC000061234683 1118305793 /nfs/dbraw/zinc/30/57/93/1118305793.db2.gz LOGAOUUWTOTHFT-HNNXBMFYSA-N 0 1 285.391 3.581 20 0 CHADMN COc1cc([C@@H](C)NCc2c(C)oc3ccccc32)ccn1 ZINC000340496787 1118306699 /nfs/dbraw/zinc/30/66/99/1118306699.db2.gz KJXPQRIHLAYOLG-GFCCVEGCSA-N 0 1 296.370 3.996 20 0 CHADMN CCCCN(C)Cc1nc(-c2ccc(CC)cc2)no1 ZINC000061757549 1118308232 /nfs/dbraw/zinc/30/82/32/1118308232.db2.gz RCMIXFJKOAKFDQ-UHFFFAOYSA-N 0 1 273.380 3.531 20 0 CHADMN CCN(Cc1ccc(C)c(C)c1)Cc1cncc(F)c1 ZINC001207024801 1118308947 /nfs/dbraw/zinc/30/89/47/1118308947.db2.gz HEWJFXDEPUIQNE-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1csc(-c2ccoc2)n1 ZINC000108360945 1118310367 /nfs/dbraw/zinc/31/03/67/1118310367.db2.gz OFWOJZVFNGNGQC-SNVBAGLBSA-N 0 1 262.378 3.633 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@@H](C)c1ccnn1C ZINC000282255599 1118310880 /nfs/dbraw/zinc/31/08/80/1118310880.db2.gz JSCKREIOLNCMAM-RYUDHWBXSA-N 0 1 275.421 3.554 20 0 CHADMN COc1ccsc1CN[C@@H]1CCc2cc(F)ccc21 ZINC001649070497 1118312053 /nfs/dbraw/zinc/31/20/53/1118312053.db2.gz DWTMSZRTUIZRMK-CYBMUJFWSA-N 0 1 277.364 3.673 20 0 CHADMN CC1(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)CCC1 ZINC000340512961 1118314088 /nfs/dbraw/zinc/31/40/88/1118314088.db2.gz PGLABYSUFXGMIG-UHFFFAOYSA-N 0 1 295.342 3.952 20 0 CHADMN CC(C)c1ccc(N[C@@H](c2nnc[nH]2)c2cccnc2)cc1 ZINC000340515694 1118314581 /nfs/dbraw/zinc/31/45/81/1118314581.db2.gz QVAZGWVAFQDISB-MRXNPFEDSA-N 0 1 293.374 3.525 20 0 CHADMN CN(c1nc(CN2CCC3(CCC3)CC2)cs1)C1CC1 ZINC000671728649 1118315317 /nfs/dbraw/zinc/31/53/17/1118315317.db2.gz DWBAPSXXPAJSLN-UHFFFAOYSA-N 0 1 291.464 3.508 20 0 CHADMN Cc1cccc(-c2noc(CN3CCC[C@@H](C)CC3)n2)c1 ZINC000063302481 1118315379 /nfs/dbraw/zinc/31/53/79/1118315379.db2.gz TYFMMYYPKQXQJL-CYBMUJFWSA-N 0 1 285.391 3.667 20 0 CHADMN CCc1nc(C)c([C@H](C)N[C@@H]2CCC[C@H]2F)s1 ZINC000340525046 1118317227 /nfs/dbraw/zinc/31/72/27/1118317227.db2.gz LHZMMEOMQTXAEW-JMJZKYOTSA-N 0 1 256.390 3.555 20 0 CHADMN CCN(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 ZINC000063750309 1118320828 /nfs/dbraw/zinc/32/08/28/1118320828.db2.gz LZOJPGHSTITFMK-CYBMUJFWSA-N 0 1 288.218 3.994 20 0 CHADMN CCc1ccc([C@H]2CCCN([C@@H](C)c3nc(C)no3)C2)cc1 ZINC000671732817 1118321126 /nfs/dbraw/zinc/32/11/26/1118321126.db2.gz LANMDBCMAQGNHF-GUYCJALGSA-N 0 1 299.418 3.881 20 0 CHADMN CC(C)(C)c1n[nH]c(S[C@H]2CCc3ccccc32)n1 ZINC000683738360 1118324200 /nfs/dbraw/zinc/32/42/00/1118324200.db2.gz XQODXMHBTCTMBX-LBPRGKRZSA-N 0 1 273.405 3.882 20 0 CHADMN Fc1ccc(CNc2ccc3c[nH]nc3c2)cc1Cl ZINC000163657511 1118327234 /nfs/dbraw/zinc/32/72/34/1118327234.db2.gz LJBLKVJXPDTLTN-UHFFFAOYSA-N 0 1 275.714 3.968 20 0 CHADMN Fc1cccc(-c2noc([C@@H]3CCN3C3CCCC3)n2)c1 ZINC000923772149 1118329222 /nfs/dbraw/zinc/32/92/22/1118329222.db2.gz AROJHQIAFCQMED-AWEZNQCLSA-N 0 1 287.338 3.565 20 0 CHADMN C[C@@H](N[C@H]1CCCc2occc21)c1ccc2[nH]c(=O)oc2c1 ZINC000671740780 1118329502 /nfs/dbraw/zinc/32/95/02/1118329502.db2.gz DPAUYMDULRMDGW-MFKMUULPSA-N 0 1 298.342 3.855 20 0 CHADMN CCCN1CCCC[C@H]1C(=O)Nc1cccc(Cl)c1C ZINC000110487611 1118337520 /nfs/dbraw/zinc/33/75/20/1118337520.db2.gz KOIAYLUOZYXQGI-HNNXBMFYSA-N 0 1 294.826 3.851 20 0 CHADMN Oc1cc(Cl)ccc1-c1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000656049244 1118341273 /nfs/dbraw/zinc/34/12/73/1118341273.db2.gz LSBVVKXDNDYGKW-MKPLZMMCSA-N 0 1 290.750 3.999 20 0 CHADMN Cc1nc([C@@H](C)S[C@@H](C)c2ccc(F)cc2)n[nH]1 ZINC000412992514 1118350869 /nfs/dbraw/zinc/35/08/69/1118350869.db2.gz MQYXAOSOLWPVOW-DTWKUNHWSA-N 0 1 265.357 3.808 20 0 CHADMN CCN(Cc1nc(Cc2ccccc2)no1)[C@H](C)C(C)C ZINC000067661207 1118353927 /nfs/dbraw/zinc/35/39/27/1118353927.db2.gz PXSBIRRZGFNLJS-CQSZACIVSA-N 0 1 287.407 3.527 20 0 CHADMN CC(C)c1cc(=O)n(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000116602883 1118356088 /nfs/dbraw/zinc/35/60/88/1118356088.db2.gz MYKWPEXOSSXMHX-UHFFFAOYSA-N 0 1 270.254 3.720 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@@H](c2nccn2C)C2CC2)c1 ZINC000671766534 1118360120 /nfs/dbraw/zinc/36/01/20/1118360120.db2.gz UFAFIHIBFOTCIO-CXAGYDPISA-N 0 1 299.418 3.621 20 0 CHADMN CC(C)(C)c1cc(=O)n(Cc2ccccc2Cl)[nH]1 ZINC000116605527 1118361922 /nfs/dbraw/zinc/36/19/22/1118361922.db2.gz KJBMYJNARVOFSP-UHFFFAOYSA-N 0 1 264.756 3.588 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1ccsc1Br ZINC000706443886 1118374137 /nfs/dbraw/zinc/37/41/37/1118374137.db2.gz QWSWAQFKHFTHFS-RKDXNWHRSA-N 0 1 274.227 3.883 20 0 CHADMN Fc1ccc(CN(CCC(F)(F)F)C2CC2)cc1 ZINC000072979914 1118377591 /nfs/dbraw/zinc/37/75/91/1118377591.db2.gz UGRYWSABZBDKLF-UHFFFAOYSA-N 0 1 261.262 3.743 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cccc2cnccc21 ZINC000073144134 1118379917 /nfs/dbraw/zinc/37/99/17/1118379917.db2.gz IWTCAPYKFUHOGU-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN CC(C)n1cc(CNC2(c3ccccc3)CCCCC2)nn1 ZINC000580118624 1118382607 /nfs/dbraw/zinc/38/26/07/1118382607.db2.gz JKRJBRFULUKVDN-UHFFFAOYSA-N 0 1 298.434 3.808 20 0 CHADMN CO[C@@H](c1ccccc1)[C@H](C)NCc1cc(C(C)C)no1 ZINC000683819823 1118388291 /nfs/dbraw/zinc/38/82/91/1118388291.db2.gz YLMBWWAFMNTQLR-SUMWQHHRSA-N 0 1 288.391 3.664 20 0 CHADMN c1cc2cc(CN3CCOC4(CCCCC4)C3)ccc2cn1 ZINC000683831352 1118397959 /nfs/dbraw/zinc/39/79/59/1118397959.db2.gz TVZZYAZYPWGKTD-UHFFFAOYSA-N 0 1 296.414 3.770 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1cn2cccc(C)c2n1 ZINC000610396437 1118398661 /nfs/dbraw/zinc/39/86/61/1118398661.db2.gz VGPJUQCVVGTRFP-CQSZACIVSA-N 0 1 291.464 3.606 20 0 CHADMN C/C(=C\c1cccc(C(F)(F)F)c1)CNCc1ccno1 ZINC000580193296 1118399686 /nfs/dbraw/zinc/39/96/86/1118399686.db2.gz UOOOAJFJOPSSKI-YRNVUSSQSA-N 0 1 296.292 3.887 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2sccc2Cl)C[C@@H]1O ZINC000683835101 1118401461 /nfs/dbraw/zinc/40/14/61/1118401461.db2.gz OJYCQJHYXDQWET-JQWIXIFHSA-N 0 1 287.856 3.630 20 0 CHADMN CC(C)(C)[C@H]1CC[N@@H+](Cc2sccc2Cl)C[C@@H]1O ZINC000683835101 1118401457 /nfs/dbraw/zinc/40/14/57/1118401457.db2.gz OJYCQJHYXDQWET-JQWIXIFHSA-N 0 1 287.856 3.630 20 0 CHADMN c1nc2cc(-c3noc([C@H]4CC5CCC4CC5)n3)ccc2[nH]1 ZINC000340616056 1118405595 /nfs/dbraw/zinc/40/55/95/1118405595.db2.gz IEDXHBUEPAHYPS-XIVSLSHWSA-N 0 1 294.358 3.907 20 0 CHADMN Cc1nccnc1CN[C@H](C)c1ccc(CC(C)C)cc1 ZINC000621325633 1118415700 /nfs/dbraw/zinc/41/57/00/1118415700.db2.gz FAZVYHVTFDJJMW-CQSZACIVSA-N 0 1 283.419 3.834 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)CC1 ZINC001167377930 1118418539 /nfs/dbraw/zinc/41/85/39/1118418539.db2.gz VTZAGEAKGGMWCT-LBPRGKRZSA-N 0 1 253.336 3.977 20 0 CHADMN CCOc1ccc([C@H](C)N[C@H](CO)c2ccsc2)cc1 ZINC000349313663 1118421795 /nfs/dbraw/zinc/42/17/95/1118421795.db2.gz PFEHYVYEBPSRAF-BLLLJJGKSA-N 0 1 291.416 3.531 20 0 CHADMN COc1cccc(CNCc2c(C)cccc2OC)c1C ZINC000639333154 1118424969 /nfs/dbraw/zinc/42/49/69/1118424969.db2.gz RANOKNMUAYCOHS-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)c(C)n1 ZINC000580348548 1118430743 /nfs/dbraw/zinc/43/07/43/1118430743.db2.gz QKBQOVXHSKMQAB-GOSISDBHSA-N 0 1 284.378 3.769 20 0 CHADMN Cc1ccc(CN2CC[C@](F)(c3ccccc3)C2)c(C)n1 ZINC000580348548 1118430744 /nfs/dbraw/zinc/43/07/44/1118430744.db2.gz QKBQOVXHSKMQAB-GOSISDBHSA-N 0 1 284.378 3.769 20 0 CHADMN CC(=Nc1cc(C)nn1-c1ccccn1)c1ccccc1 ZINC001210981502 1118433651 /nfs/dbraw/zinc/43/36/51/1118433651.db2.gz FGDCKXCJEGOSOU-UHFFFAOYSA-N 0 1 276.343 3.659 20 0 CHADMN CC1(C)C[C@]1(NCc1ccns1)c1ccccc1 ZINC000639338826 1118435924 /nfs/dbraw/zinc/43/59/24/1118435924.db2.gz XDAMKRRCMOFTFJ-HNNXBMFYSA-N 0 1 258.390 3.558 20 0 CHADMN CCn1cccc1CNCc1cc2ccccc2o1 ZINC000580401519 1118446005 /nfs/dbraw/zinc/44/60/05/1118446005.db2.gz HXGMVJMWCRQEKU-UHFFFAOYSA-N 0 1 254.333 3.544 20 0 CHADMN CC(C)Oc1ncccc1CNCc1cc2ccccc2[nH]1 ZINC000683927530 1118446827 /nfs/dbraw/zinc/44/68/27/1118446827.db2.gz KPLIQMSLQJUQBK-UHFFFAOYSA-N 0 1 295.386 3.640 20 0 CHADMN CCCCn1cc(CNCc2cc3ccccc3[nH]2)c(C)n1 ZINC000683930649 1118449094 /nfs/dbraw/zinc/44/90/94/1118449094.db2.gz VMYKITZYTIYQDK-UHFFFAOYSA-N 0 1 296.418 3.763 20 0 CHADMN COc1cc(NCc2ccc3nc[nH]c3c2)ccc1Cl ZINC000683932621 1118451026 /nfs/dbraw/zinc/45/10/26/1118451026.db2.gz KPGJZZMFZCFGST-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN c1coc([C@H](NC[C@@H]2CCC=CO2)c2ccccc2)c1 ZINC000050268631 1118471112 /nfs/dbraw/zinc/47/11/12/1118471112.db2.gz BHCGVNZJKZRECL-DOTOQJQBSA-N 0 1 269.344 3.651 20 0 CHADMN Cc1noc2ncc(CN3CC([C@H]4CCC[C@@H](C)C4)C3)cc12 ZINC001658760360 1118472952 /nfs/dbraw/zinc/47/29/52/1118472952.db2.gz BMVBUGUIESXGBL-DOMZBBRYSA-N 0 1 299.418 3.789 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1CCn1cc(Cl)cn1 ZINC001167417177 1118474880 /nfs/dbraw/zinc/47/48/80/1118474880.db2.gz QHQUCIRUGPBDHV-MRXNPFEDSA-N 0 1 289.810 3.546 20 0 CHADMN CC(C)[C@@H]1N(Cc2cc3n(n2)CCCC3)CC12CCCC2 ZINC000656261408 1118485301 /nfs/dbraw/zinc/48/53/01/1118485301.db2.gz AEFLWORTDUYCQO-KRWDZBQOSA-N 0 1 287.451 3.620 20 0 CHADMN FC1(F)CC12CN(Cc1cccc(-c3ccccn3)c1)C2 ZINC000656265570 1118487028 /nfs/dbraw/zinc/48/70/28/1118487028.db2.gz CBUODXJJRKJTFY-UHFFFAOYSA-N 0 1 286.325 3.590 20 0 CHADMN Cn1cncc1Nc1ccccc1OC1CCCCC1 ZINC001211250480 1118488237 /nfs/dbraw/zinc/48/82/37/1118488237.db2.gz LHYVMBALGWXHDY-UHFFFAOYSA-N 0 1 271.364 3.875 20 0 CHADMN CC1(C)CN(Cc2cc3ccccc3[nH]2)C(C)(C)CO1 ZINC000684021929 1118489952 /nfs/dbraw/zinc/48/99/52/1118489952.db2.gz YPTMHTJHJMJZOZ-UHFFFAOYSA-N 0 1 272.392 3.557 20 0 CHADMN O=C(Nc1nc(C2CC2)cs1)c1c(O)cccc1Cl ZINC000057307711 1118492374 /nfs/dbraw/zinc/49/23/74/1118492374.db2.gz CPCBVZAJSNQGLY-UHFFFAOYSA-N 0 1 294.763 3.632 20 0 CHADMN C[C@@H]1C[C@H](C)N1Cc1cnc(-c2ccsc2)s1 ZINC000580696717 1118493453 /nfs/dbraw/zinc/49/34/53/1118493453.db2.gz RJHRUPADFCJCSY-AOOOYVTPSA-N 0 1 264.419 3.854 20 0 CHADMN C[C@H](N[C@H]1CSC1(C)C)c1cc(F)ccc1F ZINC000338792224 1118494832 /nfs/dbraw/zinc/49/48/32/1118494832.db2.gz MJKBZVWJLZNIDM-UFBFGSQYSA-N 0 1 257.349 3.509 20 0 CHADMN CC(C)(C)n1cc(C[N@H+]2CCC[C@@H]2CC2CCCC2)nn1 ZINC000656279859 1118495921 /nfs/dbraw/zinc/49/59/21/1118495921.db2.gz YXZCLRZSEOUCNS-MRXNPFEDSA-N 0 1 290.455 3.578 20 0 CHADMN CC(C)(C)n1cc(CN2CCC[C@@H]2CC2CCCC2)nn1 ZINC000656279859 1118495925 /nfs/dbraw/zinc/49/59/25/1118495925.db2.gz YXZCLRZSEOUCNS-MRXNPFEDSA-N 0 1 290.455 3.578 20 0 CHADMN CC=C(C)C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000175825867 1118498452 /nfs/dbraw/zinc/49/84/52/1118498452.db2.gz AVYAETTZVQKEIZ-XCVCLJGOSA-N 0 1 281.315 3.728 20 0 CHADMN Oc1ccc(F)c(CNCCc2ccccc2Cl)c1F ZINC000510350224 1118504568 /nfs/dbraw/zinc/50/45/68/1118504568.db2.gz HAXSNEDVDBSHQE-UHFFFAOYSA-N 0 1 297.732 3.656 20 0 CHADMN CCc1ccc(CN(C)Cc2cnc(C(C)(C)C)nc2)cc1 ZINC000580848721 1118513688 /nfs/dbraw/zinc/51/36/88/1118513688.db2.gz MZJMJEDQSGYMEN-UHFFFAOYSA-N 0 1 297.446 3.969 20 0 CHADMN NC1(c2noc([C@@H]3CC34CCCCC4)n2)CCCCC1 ZINC000580887597 1118517546 /nfs/dbraw/zinc/51/75/46/1118517546.db2.gz VUAXRFVGQPFDEO-LBPRGKRZSA-N 0 1 275.396 3.626 20 0 CHADMN C[C@@H]1CC[N@@H+](C/C=C\c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000580899021 1118518180 /nfs/dbraw/zinc/51/81/80/1118518180.db2.gz XSHYDKHISYIFMA-IZIWTHDTSA-N 0 1 293.794 3.538 20 0 CHADMN C[C@@H](Cc1nc(-c2ccn3cncc3c2)no1)CC(C)(C)C ZINC000684116523 1118525160 /nfs/dbraw/zinc/52/51/60/1118525160.db2.gz HRGRSDLFOROGEG-LBPRGKRZSA-N 0 1 298.390 3.999 20 0 CHADMN Cc1c(Cl)nccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215554249 1118525921 /nfs/dbraw/zinc/52/59/21/1118525921.db2.gz ZZZFTTMZQLPXQY-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN C/C(=C/c1nc(-c2ccn3cncc3c2)no1)C(C)(C)C ZINC000684118458 1118526326 /nfs/dbraw/zinc/52/63/26/1118526326.db2.gz VXYALTLOWKFBAF-XFFZJAGNSA-N 0 1 282.347 3.834 20 0 CHADMN Cc1cc(Oc2ccccc2)ccc1NC(=O)[C@H](C)N(C)C ZINC000078736467 1118528452 /nfs/dbraw/zinc/52/84/52/1118528452.db2.gz HFLPVPWDNMDDIM-AWEZNQCLSA-N 0 1 298.386 3.676 20 0 CHADMN FCC1(NCc2ccc(OC(F)(F)F)cc2)CCC1 ZINC000581011059 1118533941 /nfs/dbraw/zinc/53/39/41/1118533941.db2.gz IYAZDXFRPKPHLJ-UHFFFAOYSA-N 0 1 277.261 3.567 20 0 CHADMN CC[C@@H](NCc1c(C)cc(C)nc1C)c1c(C)noc1C ZINC000639579099 1118539461 /nfs/dbraw/zinc/53/94/61/1118539461.db2.gz GVAKKEQTRUKFQD-MRXNPFEDSA-N 0 1 287.407 3.853 20 0 CHADMN FC(F)(F)c1ncccc1CN1CCC(C2CC2)CC1 ZINC000625445850 1118540864 /nfs/dbraw/zinc/54/08/64/1118540864.db2.gz PYEKHFYOAMUUCD-UHFFFAOYSA-N 0 1 284.325 3.722 20 0 CHADMN CC(C)c1ccc([C@@H](C)Cc2nc([C@@H]3CCCN3)no2)cc1 ZINC000647148996 1118553789 /nfs/dbraw/zinc/55/37/89/1118553789.db2.gz BBISBMGKTAMGEB-BBRMVZONSA-N 0 1 299.418 3.964 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)s1 ZINC000109601650 1118554900 /nfs/dbraw/zinc/55/49/00/1118554900.db2.gz YKXCZQOZYHOPMR-AAEUAGOBSA-N 0 1 279.405 3.601 20 0 CHADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000071264818 1118563691 /nfs/dbraw/zinc/56/36/91/1118563691.db2.gz BFMCZLFSKXPFMR-LRDDRELGSA-N 0 1 291.366 3.679 20 0 CHADMN CC(C)(C)CNC(=O)CN(Cc1ccsc1)C(C)(C)C ZINC000625529560 1118564593 /nfs/dbraw/zinc/56/45/93/1118564593.db2.gz MPCXSIWIGDVPOO-UHFFFAOYSA-N 0 1 296.480 3.511 20 0 CHADMN Cc1cc2[nH]c(Cc3ccc(C)c(C)c3)nc(=O)c2s1 ZINC000656491871 1118565682 /nfs/dbraw/zinc/56/56/82/1118565682.db2.gz RUECSLVQEFSOOJ-UHFFFAOYSA-N 0 1 284.384 3.913 20 0 CHADMN Cc1cc(C)cc(NC(=O)c2cc3[nH]cnc3cc2F)c1 ZINC000340993402 1118573249 /nfs/dbraw/zinc/57/32/49/1118573249.db2.gz RTZCJLPIWWRLBA-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)Cc2ccc(O)cc2)o1 ZINC000349404112 1118574198 /nfs/dbraw/zinc/57/41/98/1118574198.db2.gz DYEKCQAGCFMHCF-LRDDRELGSA-N 0 1 271.360 3.741 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2ccc(O)cc2)o1 ZINC000349404112 1118574200 /nfs/dbraw/zinc/57/42/00/1118574200.db2.gz DYEKCQAGCFMHCF-LRDDRELGSA-N 0 1 271.360 3.741 20 0 CHADMN C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001140377123 1118575676 /nfs/dbraw/zinc/57/56/76/1118575676.db2.gz PJVSUEHFNVISRH-YOEHRIQHSA-N 0 1 284.378 3.929 20 0 CHADMN Cc1cnc(C[N@H+]2CCCC[C@@H]2CCc2ccccc2)nc1 ZINC000341003734 1118578250 /nfs/dbraw/zinc/57/82/50/1118578250.db2.gz AAPJMCFJQAIFON-GOSISDBHSA-N 0 1 295.430 3.772 20 0 CHADMN Cc1cnc(CN2CCCC[C@@H]2CCc2ccccc2)nc1 ZINC000341003734 1118578252 /nfs/dbraw/zinc/57/82/52/1118578252.db2.gz AAPJMCFJQAIFON-GOSISDBHSA-N 0 1 295.430 3.772 20 0 CHADMN CCn1cc(CN2CCC[C@H]2c2ccc(OC)cc2)c(C)n1 ZINC000891398422 1118594675 /nfs/dbraw/zinc/59/46/75/1118594675.db2.gz XILVPLWYZXQITG-SFHVURJKSA-N 0 1 299.418 3.557 20 0 CHADMN CC[C@H](NC)c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000656559846 1118595228 /nfs/dbraw/zinc/59/52/28/1118595228.db2.gz ZNXWZQLXMWEKNJ-VIFPVBQESA-N 0 1 286.162 3.714 20 0 CHADMN CC1(C)CC(c2nc(C3(N)CCC3)no2)CC(C)(C)C1 ZINC000656561069 1118595749 /nfs/dbraw/zinc/59/57/49/1118595749.db2.gz POFWTAQBMDCTHZ-UHFFFAOYSA-N 0 1 277.412 3.727 20 0 CHADMN Cc1cc(CN[C@@H](CC(C)C)c2ccccc2)nn1C ZINC000341057276 1118598506 /nfs/dbraw/zinc/59/85/06/1118598506.db2.gz KDTFTINWKDWCPJ-KRWDZBQOSA-N 0 1 271.408 3.606 20 0 CHADMN CCCn1cc(CNC(C)(C)c2cccc(Cl)c2)cn1 ZINC000119370621 1118605047 /nfs/dbraw/zinc/60/50/47/1118605047.db2.gz SHTRLEKDGJZNBS-UHFFFAOYSA-N 0 1 291.826 3.971 20 0 CHADMN COc1cc(F)c(F)cc1CN1CCC[C@H](C)[C@@H]1C ZINC001143394643 1118606628 /nfs/dbraw/zinc/60/66/28/1118606628.db2.gz KLIOMMFAHFDEJL-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN FC1(F)CCC[C@@H]1NC[C@@H]1C[C@H]1c1ccccc1 ZINC000656625316 1118612519 /nfs/dbraw/zinc/61/25/19/1118612519.db2.gz QVHZEVIKEYIPRV-IHRRRGAJSA-N 0 1 251.320 3.568 20 0 CHADMN C[C@]1(O)CCCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC001204562440 1118613054 /nfs/dbraw/zinc/61/30/54/1118613054.db2.gz IRYUXHJVMRXYAC-AWEZNQCLSA-N 0 1 288.218 3.730 20 0 CHADMN Clc1ccc([C@H]2C[C@@H]2CN2CCCCC23COC3)cc1 ZINC001207190179 1118613960 /nfs/dbraw/zinc/61/39/60/1118613960.db2.gz HHXDUYKNPXUIPL-GDBMZVCRSA-N 0 1 291.822 3.698 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)COc2ccc(C)cc2)cs1 ZINC000040499591 1118614086 /nfs/dbraw/zinc/61/40/86/1118614086.db2.gz KHMMGIRMAHHXSC-STQMWFEESA-N 0 1 290.432 3.878 20 0 CHADMN Cc1ccc2ncc(CN3CCC=C(c4ccco4)C3)n2c1 ZINC000348673514 1118624197 /nfs/dbraw/zinc/62/41/97/1118624197.db2.gz NASUNIDECVIQRK-UHFFFAOYSA-N 0 1 293.370 3.525 20 0 CHADMN Cc1cccc2c1cc[nH+]c2NCCCCCC(=O)[O-] ZINC000096847055 1118630792 /nfs/dbraw/zinc/63/07/92/1118630792.db2.gz ODMNBEXYEMCGEE-UHFFFAOYSA-N 0 1 272.348 3.600 20 0 CHADMN C[C@@H](NCc1c(C2CC2)cnn1C)c1ccc(Cl)s1 ZINC000656685039 1118635304 /nfs/dbraw/zinc/63/53/04/1118635304.db2.gz IQELDMNWERKMOS-SECBINFHSA-N 0 1 295.839 3.863 20 0 CHADMN C[C@H](NCc1c(C2CCC2)cnn1C)c1ccc(F)cc1 ZINC000656688976 1118637309 /nfs/dbraw/zinc/63/73/09/1118637309.db2.gz MTDGPLZRYYMTOK-LBPRGKRZSA-N 0 1 287.382 3.678 20 0 CHADMN Cc1ccc2cc(CN3CC(CC(F)(F)F)C3)ccc2n1 ZINC000656688828 1118638359 /nfs/dbraw/zinc/63/83/59/1118638359.db2.gz WLYJVGLCFLYCTQ-UHFFFAOYSA-N 0 1 294.320 3.927 20 0 CHADMN C[C@@H](CN1CC(C(F)F)C1)c1cccc(Cl)c1 ZINC000656690689 1118638904 /nfs/dbraw/zinc/63/89/04/1118638904.db2.gz NZTUEVFJYAJXRF-VIFPVBQESA-N 0 1 259.727 3.640 20 0 CHADMN CN(Cc1ccccc1Cl)C[C@H](O)c1cccc(F)c1 ZINC000051118843 1118640507 /nfs/dbraw/zinc/64/05/07/1118640507.db2.gz QBAXTQDCDAHFHM-INIZCTEOSA-N 0 1 293.769 3.645 20 0 CHADMN Cc1ccc(NC(=O)CN(C)[C@@H](C)c2ccccc2)c(C)c1 ZINC000023039431 1118641022 /nfs/dbraw/zinc/64/10/22/1118641022.db2.gz QNWOMWLOHJCPAT-INIZCTEOSA-N 0 1 296.414 3.935 20 0 CHADMN CC(C)C[C@@H](CN1CCc2c[nH]nc2C1)c1ccccc1 ZINC000684360376 1118649386 /nfs/dbraw/zinc/64/93/86/1118649386.db2.gz DAJNQICTOFAFIS-KRWDZBQOSA-N 0 1 283.419 3.598 20 0 CHADMN Cc1cc(C[N@H+]2CCCC3(CCCC3)CC2)oc1C(=O)[O-] ZINC000656758382 1118650253 /nfs/dbraw/zinc/65/02/53/1118650253.db2.gz HKHHQLKQBJTUPP-UHFFFAOYSA-N 0 1 291.391 3.833 20 0 CHADMN CC1(C)CC[N@@H+](CCCCCC(=O)[O-])CC(C)(C)C1 ZINC000656762294 1118651115 /nfs/dbraw/zinc/65/11/15/1118651115.db2.gz CCPHNMNPEJKCSM-UHFFFAOYSA-N 0 1 269.429 3.780 20 0 CHADMN Cc1cccc(N2CCN([C@H](C)c3cccnc3)CC2)c1C ZINC000341282725 1118651607 /nfs/dbraw/zinc/65/16/07/1118651607.db2.gz XVVRJJXKIDXFTH-QGZVFWFLSA-N 0 1 295.430 3.582 20 0 CHADMN CC(C)CCN(C)Cc1coc(-c2cccs2)n1 ZINC000076794604 1118653486 /nfs/dbraw/zinc/65/34/86/1118653486.db2.gz RHJPPJRVCTVXKP-UHFFFAOYSA-N 0 1 264.394 3.881 20 0 CHADMN CC(C)Cn1ccnc1NCc1cc2ccccc2n1C ZINC000656774436 1118655359 /nfs/dbraw/zinc/65/53/59/1118655359.db2.gz LXDYMIVMZHPGOX-UHFFFAOYSA-N 0 1 282.391 3.643 20 0 CHADMN Cc1nc(CNc2nccc(C)c2C2CC2)cs1 ZINC000656779432 1118656248 /nfs/dbraw/zinc/65/62/48/1118656248.db2.gz OMPPKACFTUAKDG-UHFFFAOYSA-N 0 1 259.378 3.644 20 0 CHADMN CO[C@@H]1C[C@@H](N[C@H](c2ccco2)c2ccccc2)C12CCC2 ZINC000308386275 1118659833 /nfs/dbraw/zinc/65/98/33/1118659833.db2.gz DTJWPLUQCSFLSH-KURKYZTESA-N 0 1 297.398 3.916 20 0 CHADMN CCN(Cc1ccnn1C1CCC1)Cc1ccccc1 ZINC000891450217 1118678934 /nfs/dbraw/zinc/67/89/34/1118678934.db2.gz FCUZXGOMULROTQ-UHFFFAOYSA-N 0 1 269.392 3.630 20 0 CHADMN CC(C)C1CN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000684407587 1118684205 /nfs/dbraw/zinc/68/42/05/1118684205.db2.gz AKNSHPRXCKEGCC-UHFFFAOYSA-N 0 1 257.299 3.793 20 0 CHADMN Cc1ncc([C@H](C)N[C@H]2CCc3c2cccc3F)s1 ZINC000090406007 1118696163 /nfs/dbraw/zinc/69/61/63/1118696163.db2.gz ICZIRGUCPBATMI-XPTSAGLGSA-N 0 1 276.380 3.929 20 0 CHADMN Cc1ccc(CN2Cc3ccccc3OC[C@H]2C)s1 ZINC000341462250 1118712214 /nfs/dbraw/zinc/71/22/14/1118712214.db2.gz BHCYHWAZGZQOEL-GFCCVEGCSA-N 0 1 273.401 3.840 20 0 CHADMN CCC[N@@H+](C)Cc1nc(-c2cccc(OC)c2)cs1 ZINC000891577769 1118713025 /nfs/dbraw/zinc/71/30/25/1118713025.db2.gz GJHHBSNGHJGRAY-UHFFFAOYSA-N 0 1 276.405 3.661 20 0 CHADMN CCCN(C)Cc1nc(-c2cccc(OC)c2)cs1 ZINC000891577769 1118713028 /nfs/dbraw/zinc/71/30/28/1118713028.db2.gz GJHHBSNGHJGRAY-UHFFFAOYSA-N 0 1 276.405 3.661 20 0 CHADMN CC(C)N(Cc1ccco1)Cc1cccc2[nH]c(=O)oc21 ZINC000891586285 1118713804 /nfs/dbraw/zinc/71/38/04/1118713804.db2.gz BOBCBDDCBMHBLV-UHFFFAOYSA-N 0 1 286.331 3.537 20 0 CHADMN Cc1noc(C)c1CNc1ccc(Cl)c(CN(C)C)c1 ZINC000341515442 1118717102 /nfs/dbraw/zinc/71/71/02/1118717102.db2.gz UVTOABYQHORAHE-UHFFFAOYSA-N 0 1 293.798 3.619 20 0 CHADMN C(=C\[C@H]1CCCCCN1Cc1c[nH]cn1)\c1cccs1 ZINC000341521140 1118718484 /nfs/dbraw/zinc/71/84/84/1118718484.db2.gz BJZZDCZVVBZWRZ-ZPIQOJFGSA-N 0 1 287.432 3.929 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)CC1CCC(c2ccccc2)CC1 ZINC000650517457 1118722837 /nfs/dbraw/zinc/72/28/37/1118722837.db2.gz MEPMFMYBPSFZKH-BDVYOWHSSA-N 0 1 289.419 3.755 20 0 CHADMN Cl/C=C/CNC1(c2ccc(Br)cc2)CC1 ZINC000180521349 1128797031 /nfs/dbraw/zinc/79/70/31/1128797031.db2.gz CNBVMFQUCKQSID-UNXLUWIOSA-N 0 1 286.600 3.780 20 0 CHADMN CSc1ccc([C@@H](C)NCc2ccc(C)cn2)cc1 ZINC000126966940 1118735491 /nfs/dbraw/zinc/73/54/91/1118735491.db2.gz MFSVUJFLQXCKTJ-CYBMUJFWSA-N 0 1 272.417 3.963 20 0 CHADMN CC(C)Cn1nccc1CN[C@H]1CCCc2sccc21 ZINC000647202659 1118746237 /nfs/dbraw/zinc/74/62/37/1118746237.db2.gz KGFWEYCZADIEET-HNNXBMFYSA-N 0 1 289.448 3.768 20 0 CHADMN Cc1cccc(-c2noc([C@H]3CCCN3C(C)C)n2)c1 ZINC000923773211 1118747118 /nfs/dbraw/zinc/74/71/18/1118747118.db2.gz ZNXNTRFOLUFMHQ-CQSZACIVSA-N 0 1 271.364 3.590 20 0 CHADMN C[N@@H+](Cc1nc2cccnc2s1)C1CCCCCC1 ZINC000341610463 1118757471 /nfs/dbraw/zinc/75/74/71/1118757471.db2.gz FCNYRQVPVABQEN-UHFFFAOYSA-N 0 1 275.421 3.846 20 0 CHADMN CC[C@@]1(C)CC[N@@H+](Cc2ccnn2-c2ccccc2OC)C1 ZINC000430750565 1118766701 /nfs/dbraw/zinc/76/67/01/1118766701.db2.gz BTAYAAWAZWBOOW-SFHVURJKSA-N 0 1 299.418 3.503 20 0 CHADMN CC1=C[C@@H](C)C[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000430875232 1118780626 /nfs/dbraw/zinc/78/06/26/1118780626.db2.gz MPWYUXMPZVLKLN-LLVKDONJSA-N 0 1 273.405 3.536 20 0 CHADMN CC1=C[C@H](C)CN(Cc2cnc(-c3ccco3)s2)C1 ZINC000430876157 1118781806 /nfs/dbraw/zinc/78/18/06/1118781806.db2.gz CYUDXKIMRCBJEN-NSHDSACASA-N 0 1 274.389 3.801 20 0 CHADMN COc1ccc2ccccc2c1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000510645629 1118781898 /nfs/dbraw/zinc/78/18/98/1118781898.db2.gz NPCMTGKQROJJAS-PKOBYXMFSA-N 0 1 297.398 3.602 20 0 CHADMN Cc1ccc(CN2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000510662975 1118784689 /nfs/dbraw/zinc/78/46/89/1118784689.db2.gz IYWYVRRZIXFTKD-HXUWFJFHSA-N 0 1 293.410 3.669 20 0 CHADMN CCC1CCN(Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000510674127 1118785774 /nfs/dbraw/zinc/78/57/74/1118785774.db2.gz HPKVAZTYLGFCDV-UHFFFAOYSA-N 0 1 297.826 3.979 20 0 CHADMN C[C@H](N[C@H]1CCCc2sc(Cl)cc21)c1cnn(C)c1 ZINC000293874793 1118796232 /nfs/dbraw/zinc/79/62/32/1118796232.db2.gz YLTOTYUAUFSUBO-CABZTGNLSA-N 0 1 295.839 3.863 20 0 CHADMN Cc1nnsc1CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000293890932 1118801841 /nfs/dbraw/zinc/80/18/41/1118801841.db2.gz ZECOURYNVWQCBF-CQSZACIVSA-N 0 1 295.839 3.987 20 0 CHADMN CN(Cc1csc(C(F)(F)F)n1)C(C1CC1)C1CC1 ZINC000891852323 1118802724 /nfs/dbraw/zinc/80/27/24/1118802724.db2.gz LKKACRYKFIPFSR-UHFFFAOYSA-N 0 1 290.354 3.782 20 0 CHADMN CC[C@@H]1CN(Cc2ccccc2C(F)(F)F)CCCO1 ZINC000510763673 1118809023 /nfs/dbraw/zinc/80/90/23/1118809023.db2.gz MAGSWFGDDAAKBW-CYBMUJFWSA-N 0 1 287.325 3.706 20 0 CHADMN CCc1ccc(CNc2ccc3c[nH]nc3c2)cc1 ZINC000037134172 1118813328 /nfs/dbraw/zinc/81/33/28/1118813328.db2.gz FZTIOTDNNMXDII-UHFFFAOYSA-N 0 1 251.333 3.737 20 0 CHADMN Cc1ccccc1[C@H]1CCN(Cc2nccn2C2CC2)C1 ZINC000891871533 1118815522 /nfs/dbraw/zinc/81/55/22/1118815522.db2.gz PHILNWGLGVJIKB-HNNXBMFYSA-N 0 1 281.403 3.516 20 0 CHADMN COc1ccc(F)c(F)c1CN1CCCCCCC1 ZINC001143412048 1118821167 /nfs/dbraw/zinc/82/11/67/1118821167.db2.gz FGEDHFXIDUGDEQ-UHFFFAOYSA-N 0 1 269.335 3.740 20 0 CHADMN CC[C@@H]1CCCCN1Cc1c(F)c(F)ccc1OC ZINC001143412142 1118822907 /nfs/dbraw/zinc/82/29/07/1118822907.db2.gz IQFAVZQYTUKDRH-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN CCCCc1noc([C@@H](C)N[C@@H]2CC3CCC2CC3)n1 ZINC000431089678 1118826998 /nfs/dbraw/zinc/82/69/98/1118826998.db2.gz ZUVONBBUKJNILK-BLYZHGLHSA-N 0 1 277.412 3.642 20 0 CHADMN [O-]c1cccc2c(NCc3ccc(Cl)o3)cc[nH+]c12 ZINC000684565450 1118845190 /nfs/dbraw/zinc/84/51/90/1118845190.db2.gz HZFWMSYPWXTLQB-UHFFFAOYSA-N 0 1 274.707 3.799 20 0 CHADMN CC[C@@H](C)N(CC)C(=O)c1cccc(C(F)(F)F)c1O ZINC000616974725 1128804464 /nfs/dbraw/zinc/80/44/64/1128804464.db2.gz RJSNPJZFWDZSDC-SECBINFHSA-N 0 1 289.297 3.672 20 0 CHADMN Cc1cccc(CNc2cc[nH+]c3c([O-])cccc23)c1 ZINC000684568384 1118849851 /nfs/dbraw/zinc/84/98/51/1118849851.db2.gz UUCSIHINJXNLKS-UHFFFAOYSA-N 0 1 264.328 3.861 20 0 CHADMN COc1cc(CNc2cc[nH+]c3c([O-])cccc23)ccc1C ZINC000684570456 1118852885 /nfs/dbraw/zinc/85/28/85/1118852885.db2.gz TWYOCRDVEMSGDC-UHFFFAOYSA-N 0 1 294.354 3.870 20 0 CHADMN CC(C)CC[C@@](C)(O)CNc1cc[nH+]c2c([O-])cccc12 ZINC000684573800 1118857522 /nfs/dbraw/zinc/85/75/22/1118857522.db2.gz CGRQDJQCHRSGQX-QGZVFWFLSA-N 0 1 288.391 3.540 20 0 CHADMN [O-]c1cccc2c(NCCCC(F)(F)F)cc[nH+]c12 ZINC000684574138 1118859469 /nfs/dbraw/zinc/85/94/69/1118859469.db2.gz GANBDLADOAQSNP-UHFFFAOYSA-N 0 1 270.254 3.695 20 0 CHADMN CC[C@@H](C)C(=O)CSc1nc2ccc(C)cc2[nH]1 ZINC000133148152 1118860890 /nfs/dbraw/zinc/86/08/90/1118860890.db2.gz MIZIVOMVOCCAOO-SNVBAGLBSA-N 0 1 262.378 3.579 20 0 CHADMN CCOCCC1(CNc2cc[nH+]c3c([O-])cccc23)CC1 ZINC000684577455 1118864503 /nfs/dbraw/zinc/86/45/03/1118864503.db2.gz AFUXPVDDVDHGHQ-UHFFFAOYSA-N 0 1 286.375 3.559 20 0 CHADMN CCc1nc(C)c([C@@H](C)N(C)Cc2cccn2C)s1 ZINC000093612648 1118864517 /nfs/dbraw/zinc/86/45/17/1118864517.db2.gz MEFJNXIBAZVOPB-GFCCVEGCSA-N 0 1 277.437 3.545 20 0 CHADMN [O-]c1cccc2c(NCc3ccc(Cl)cn3)cc[nH+]c12 ZINC000684581314 1118869479 /nfs/dbraw/zinc/86/94/79/1118869479.db2.gz SRDDUKIMIPVRAU-UHFFFAOYSA-N 0 1 285.734 3.601 20 0 CHADMN [O-]c1cccc2c(NC[C@@H]3CCCCS3)cc[nH+]c12 ZINC000684581994 1118870439 /nfs/dbraw/zinc/87/04/39/1118870439.db2.gz VHQLGSNFSGALGB-NSHDSACASA-N 0 1 274.389 3.638 20 0 CHADMN COc1ccc(F)cc1CNc1cc[nH+]c2c([O-])cccc12 ZINC000684583182 1118872238 /nfs/dbraw/zinc/87/22/38/1118872238.db2.gz TWVODGMXAVARFZ-UHFFFAOYSA-N 0 1 298.317 3.700 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@H](C)c2cscn2)C12CCCC2 ZINC000535777350 1118883877 /nfs/dbraw/zinc/88/38/77/1118883877.db2.gz BGGOJQYKOZDNOC-MRVWCRGKSA-N 0 1 280.437 3.532 20 0 CHADMN Cc1nocc1CN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000294056215 1118885071 /nfs/dbraw/zinc/88/50/71/1118885071.db2.gz JRLVHSDKQFWARB-LBPRGKRZSA-N 0 1 274.364 3.621 20 0 CHADMN c1csc(-c2ncc(CN3CC[C@@H]3C3CC3)s2)c1 ZINC000449426296 1118888784 /nfs/dbraw/zinc/88/87/84/1118888784.db2.gz KSIUTJBKKAIUSD-GFCCVEGCSA-N 0 1 276.430 3.856 20 0 CHADMN Cc1cnc(CN[C@H](C)Cc2ccccc2C(F)(F)F)o1 ZINC000684612438 1118901519 /nfs/dbraw/zinc/90/15/19/1118901519.db2.gz GDWJHBPBLRIQKK-SNVBAGLBSA-N 0 1 298.308 3.723 20 0 CHADMN COCc1cnc(C[N@H+]2CCC(C)(C)CC(C)(C)C2)s1 ZINC000668556338 1118904455 /nfs/dbraw/zinc/90/44/55/1118904455.db2.gz RLDYLRJESUBSER-UHFFFAOYSA-N 0 1 296.480 3.938 20 0 CHADMN COCc1cnc(CN2CCC(C)(C)CC(C)(C)C2)s1 ZINC000668556338 1118904458 /nfs/dbraw/zinc/90/44/58/1118904458.db2.gz RLDYLRJESUBSER-UHFFFAOYSA-N 0 1 296.480 3.938 20 0 CHADMN CN(Cc1cc(Cl)ccc1Cl)C[C@@H]1CCC[C@H]1O ZINC000535875976 1118914320 /nfs/dbraw/zinc/91/43/20/1118914320.db2.gz MEIAEIGHWGUSDV-IINYFYTJSA-N 0 1 288.218 3.586 20 0 CHADMN CC(C)c1ncc(CN[C@@H]2CCc3c2cccc3O)s1 ZINC000132181302 1118914502 /nfs/dbraw/zinc/91/45/02/1118914502.db2.gz QTRSMPWUNQWZKI-CQSZACIVSA-N 0 1 288.416 3.749 20 0 CHADMN CCCCc1noc(CN[C@@H](C)[C@@H](C)c2ccccc2)n1 ZINC000181537089 1118918206 /nfs/dbraw/zinc/91/82/06/1118918206.db2.gz SZRRQVOODDXNPK-KGLIPLIRSA-N 0 1 287.407 3.694 20 0 CHADMN C[C@H](N[C@H](CCc1ccccc1)C(F)F)C1CC1 ZINC000449447369 1118922517 /nfs/dbraw/zinc/92/25/17/1118922517.db2.gz ZACJSWLQHKSNBB-SMDDNHRTSA-N 0 1 253.336 3.641 20 0 CHADMN CCc1nc([C@H](C)Sc2ccc3c(c2)CCC3)n[nH]1 ZINC000657235784 1118927165 /nfs/dbraw/zinc/92/71/65/1118927165.db2.gz RPLOLNYJMUSEIS-JTQLQIEISA-N 0 1 273.405 3.709 20 0 CHADMN COc1ccc(-c2n[nH]c(SCC3CC=CC3)n2)cc1 ZINC000657234004 1118927295 /nfs/dbraw/zinc/92/72/95/1118927295.db2.gz JVTFUVSVWZKWHV-UHFFFAOYSA-N 0 1 287.388 3.539 20 0 CHADMN COc1ccc(CN[C@H](C)c2cnc(C)s2)cc1Cl ZINC000090469020 1118929261 /nfs/dbraw/zinc/92/92/61/1118929261.db2.gz YKSGDZHJJGMWFX-SECBINFHSA-N 0 1 296.823 3.964 20 0 CHADMN CSc1cccc(CSc2nc(C3CC3)n[nH]2)c1 ZINC000657240313 1118930861 /nfs/dbraw/zinc/93/08/61/1118930861.db2.gz DJYAZRPJMICEAF-UHFFFAOYSA-N 0 1 277.418 3.696 20 0 CHADMN CSc1cccc(CSc2n[nH]c(C3CC3)n2)c1 ZINC000657240313 1118930863 /nfs/dbraw/zinc/93/08/63/1118930863.db2.gz DJYAZRPJMICEAF-UHFFFAOYSA-N 0 1 277.418 3.696 20 0 CHADMN Fc1ccccc1[C@@H]1CCN(Cc2ccnn2C2CCC2)C1 ZINC000891994875 1118931350 /nfs/dbraw/zinc/93/13/50/1118931350.db2.gz DNSJFHYWNHVMPV-CQSZACIVSA-N 0 1 299.393 3.737 20 0 CHADMN Cc1ccc2c(c1)CCN2C(=O)c1ccc(Cl)cc1O ZINC000091104177 1118934155 /nfs/dbraw/zinc/93/41/55/1118934155.db2.gz FNGCNJBLXFNAHZ-UHFFFAOYSA-N 0 1 287.746 3.557 20 0 CHADMN CCCO[C@H]1CCCN(Cc2cc(C)cnc2Cl)CC1 ZINC000892008773 1118935922 /nfs/dbraw/zinc/93/59/22/1118935922.db2.gz VUGLUMAJYVBUJG-HNNXBMFYSA-N 0 1 296.842 3.825 20 0 CHADMN C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@H]1C[C@]1(C)Br ZINC000892010244 1118936715 /nfs/dbraw/zinc/93/67/15/1118936715.db2.gz SCAQBRVIAUAMHX-QKCSRTOESA-N 0 1 298.224 3.559 20 0 CHADMN C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1nccc2c1CCCC2 ZINC000892010204 1118936916 /nfs/dbraw/zinc/93/69/16/1118936916.db2.gz RANIPJRHPRMXKY-CQSZACIVSA-N 0 1 296.414 3.859 20 0 CHADMN C[C@H](c1cccc(O)c1)N(C)Cc1nccc2c1CCCC2 ZINC000892010204 1118936918 /nfs/dbraw/zinc/93/69/18/1118936918.db2.gz RANIPJRHPRMXKY-CQSZACIVSA-N 0 1 296.414 3.859 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(C)o2)c(C)c1 ZINC000537959205 1118938054 /nfs/dbraw/zinc/93/80/54/1118938054.db2.gz YCFUPLORSRUEIX-ZDUSSCGKSA-N 0 1 259.349 3.756 20 0 CHADMN CN(CCCOc1ccccc1)Cc1ccccc1F ZINC000071805296 1118944627 /nfs/dbraw/zinc/94/46/27/1118944627.db2.gz IXZRZQMVLTVKMH-UHFFFAOYSA-N 0 1 273.351 3.727 20 0 CHADMN C[C@H]1CSCCN1Cc1ccc(C(F)F)c(F)c1 ZINC000892045903 1118947257 /nfs/dbraw/zinc/94/72/57/1118947257.db2.gz KCEAYVUHCGRHAE-VIFPVBQESA-N 0 1 275.339 3.701 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cccnc2OC)s1 ZINC000041631569 1118948539 /nfs/dbraw/zinc/94/85/39/1118948539.db2.gz AAUBEUVLGGDUGC-LLVKDONJSA-N 0 1 276.405 3.565 20 0 CHADMN CCC[C@](C)(NCc1cc2n(n1)CCC2)c1ccccc1 ZINC000934179961 1118956624 /nfs/dbraw/zinc/95/66/24/1118956624.db2.gz IXCICKRKVKICJZ-SFHVURJKSA-N 0 1 283.419 3.634 20 0 CHADMN CCN(Cc1ccc(Br)cc1F)C1CC1 ZINC000042239914 1118959602 /nfs/dbraw/zinc/95/96/02/1118959602.db2.gz PBDMNSGVUJWDJE-UHFFFAOYSA-N 0 1 272.161 3.573 20 0 CHADMN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1nccn1C1CC1 ZINC000892084671 1118960538 /nfs/dbraw/zinc/96/05/38/1118960538.db2.gz BDKMRKVJOHIPNN-ZFWWWQNUSA-N 0 1 299.393 3.735 20 0 CHADMN CSCC[C@H](C)N(C)Cc1c(Cl)n[nH]c1C1CC1 ZINC000892083855 1118960981 /nfs/dbraw/zinc/96/09/81/1118960981.db2.gz LCLHDNHPBJLAAC-VIFPVBQESA-N 0 1 287.860 3.514 20 0 CHADMN Cc1ccccc1CNCc1cccc(OC2CC2)c1F ZINC000657291260 1118961621 /nfs/dbraw/zinc/96/16/21/1118961621.db2.gz WSHHBCQWFAAEBS-UHFFFAOYSA-N 0 1 285.362 3.965 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccnn2CC2CC2)c(C)s1 ZINC000657300877 1118971185 /nfs/dbraw/zinc/97/11/85/1118971185.db2.gz VVULWOZCCOXASA-GFCCVEGCSA-N 0 1 289.448 3.822 20 0 CHADMN CCCc1nc(CN2[C@H](C)CCC[C@H]2C)cs1 ZINC000342308043 1118972430 /nfs/dbraw/zinc/97/24/30/1118972430.db2.gz XLZTWOVGEIQZBZ-VXGBXAGGSA-N 0 1 252.427 3.859 20 0 CHADMN C[N@@H+](CCCC(=O)[O-])Cc1ccc(-c2ccccc2)cc1 ZINC000042718020 1118980701 /nfs/dbraw/zinc/98/07/01/1118980701.db2.gz MSLAPIFYIDBQAE-UHFFFAOYSA-N 0 1 283.371 3.650 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2cnc(C)o2)cc1 ZINC000628122655 1128813824 /nfs/dbraw/zinc/81/38/24/1128813824.db2.gz HIBABBPYAZIPNR-QGZVFWFLSA-N 0 1 286.375 3.719 20 0 CHADMN FCC[C@H]1CCCN(Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000668591953 1118988412 /nfs/dbraw/zinc/98/84/12/1118988412.db2.gz FPLNZOWEKPFXFA-TZMCWYRMSA-N 0 1 298.427 3.566 20 0 CHADMN Cc1nc(CN2CC(C)(C)CC(C)(C)C2)oc1C ZINC000342355048 1118989633 /nfs/dbraw/zinc/98/96/33/1118989633.db2.gz OQROACUGDHDGLR-UHFFFAOYSA-N 0 1 250.386 3.550 20 0 CHADMN Cc1nc(CN(Cc2ccccc2)[C@H](C)C2CC2)[nH]c1C ZINC000628119519 1128814117 /nfs/dbraw/zinc/81/41/17/1128814117.db2.gz XQIJRQOBFHYTSL-OAHLLOKOSA-N 0 1 283.419 3.827 20 0 CHADMN CCN(Cc1cccs1)Cc1cnc2ccc(C)cn12 ZINC000120002825 1118999106 /nfs/dbraw/zinc/99/91/06/1118999106.db2.gz ULOOIVITVTURDI-UHFFFAOYSA-N 0 1 285.416 3.726 20 0 CHADMN C[C@@H]1CCC[C@@H](NCc2nc(C(C)(C)C)co2)C1 ZINC000724427890 1118999130 /nfs/dbraw/zinc/99/91/30/1118999130.db2.gz CFRGNCHIOVJJSV-VXGBXAGGSA-N 0 1 250.386 3.640 20 0 CHADMN CS[C@@H]1CCC[C@@H](NCc2nc(C(C)(C)C)co2)C1 ZINC000724434323 1119001586 /nfs/dbraw/zinc/00/15/86/1119001586.db2.gz PBKMKQOIZBNKBI-VXGBXAGGSA-N 0 1 282.453 3.736 20 0 CHADMN CCC(CC)[C@H](NCc1nc(C)c[nH]1)c1ccccc1 ZINC000657323603 1119001210 /nfs/dbraw/zinc/00/12/10/1119001210.db2.gz DMFPBGPQRVMDQV-KRWDZBQOSA-N 0 1 271.408 3.985 20 0 CHADMN CC(C)c1ccc(CNCc2ccnn2CC2CC2)cc1 ZINC000657328341 1119002586 /nfs/dbraw/zinc/00/25/86/1119002586.db2.gz XWGJJNHPYXPMKY-UHFFFAOYSA-N 0 1 283.419 3.706 20 0 CHADMN COC[C@@H](NCc1ccc(C)c(F)c1)c1ccccc1 ZINC000582078491 1119002787 /nfs/dbraw/zinc/00/27/87/1119002787.db2.gz MPBIGSPVPROUPB-QGZVFWFLSA-N 0 1 273.351 3.611 20 0 CHADMN COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@@H]2C2CC2)c1 ZINC000611573917 1119003077 /nfs/dbraw/zinc/00/30/77/1119003077.db2.gz DITBIYXVSVHUQU-OAHLLOKOSA-N 0 1 293.794 3.501 20 0 CHADMN Cc1c[nH]c(CN(C)C2CCC(C(C)(C)C)CC2)n1 ZINC000628131843 1128815014 /nfs/dbraw/zinc/81/50/14/1128815014.db2.gz LPPZFZADZRRNCY-UHFFFAOYSA-N 0 1 263.429 3.755 20 0 CHADMN Cc1cc(CN[C@H](c2ncccc2C)C(C)(C)C)c(C)nn1 ZINC000934288751 1119008669 /nfs/dbraw/zinc/00/86/69/1119008669.db2.gz XWDIVFWIKASXCR-QGZVFWFLSA-N 0 1 298.434 3.674 20 0 CHADMN Cc1ccncc1CN[C@@H](c1ncccc1C)C(C)(C)C ZINC000934292031 1119010813 /nfs/dbraw/zinc/01/08/13/1119010813.db2.gz OOAHATQLUYUOIB-KRWDZBQOSA-N 0 1 283.419 3.970 20 0 CHADMN C#CCN(Cc1cnc(-c2cccs2)s1)CC1CC1 ZINC000092099479 1119012983 /nfs/dbraw/zinc/01/29/83/1119012983.db2.gz ZYTILTICMOQXMM-UHFFFAOYSA-N 0 1 288.441 3.717 20 0 CHADMN C[C@@H]1CN(Cc2cnn(C3CCC3)c2)[C@@H]1c1ccccc1 ZINC000892194861 1119016860 /nfs/dbraw/zinc/01/68/60/1119016860.db2.gz JJMLQKKIVSAWFR-KDOFPFPSSA-N 0 1 281.403 3.801 20 0 CHADMN CCN(Cc1cnc(C2CC2)o1)Cc1ccccc1C ZINC000628134761 1128816451 /nfs/dbraw/zinc/81/64/51/1128816451.db2.gz AKTSMEAONAIQLF-UHFFFAOYSA-N 0 1 270.376 3.883 20 0 CHADMN COC1CCC(CN(CC(F)F)CC2CCC2)CC1 ZINC000892218374 1119031431 /nfs/dbraw/zinc/03/14/31/1119031431.db2.gz UVEWDSVRMBVOIM-UHFFFAOYSA-N 0 1 275.383 3.559 20 0 CHADMN COC[C@@H](NCc1cc2ccc(C)cc2[nH]1)c1ccccc1 ZINC000657369051 1119035801 /nfs/dbraw/zinc/03/58/01/1119035801.db2.gz WSDLGFMTEASAIM-LJQANCHMSA-N 0 1 294.398 3.954 20 0 CHADMN Cc1nnc([C@@H](C)N2CCCC3(CCCC3)C2)s1 ZINC000336342797 1119036378 /nfs/dbraw/zinc/03/63/78/1119036378.db2.gz VJOUEGVFLZEWBH-LLVKDONJSA-N 0 1 265.426 3.564 20 0 CHADMN CCOC1CC(CN2CC[C@@](F)(c3ccccc3F)C2)C1 ZINC000375689182 1119054456 /nfs/dbraw/zinc/05/44/56/1119054456.db2.gz LWVAYZWUDGZBIP-KVULBXGLSA-N 0 1 295.373 3.511 20 0 CHADMN CCCOc1ccc(CNCc2ccc(F)cn2)c(C)c1 ZINC000657397906 1119055125 /nfs/dbraw/zinc/05/51/25/1119055125.db2.gz GKQSTSHBPVTYPF-UHFFFAOYSA-N 0 1 288.366 3.608 20 0 CHADMN Fc1cccc(CN2CCC[C@@H](F)CC2)c1Cl ZINC001140559863 1119057995 /nfs/dbraw/zinc/05/79/95/1119057995.db2.gz AEVHYSLMUGBPJI-LLVKDONJSA-N 0 1 259.727 3.803 20 0 CHADMN Cc1ccc(F)cc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000226507933 1119070524 /nfs/dbraw/zinc/07/05/24/1119070524.db2.gz XNGBOFUKPNQJAR-LBPRGKRZSA-N 0 1 288.322 3.893 20 0 CHADMN Cc1cc(C)c(NC(=O)c2cc(F)cc3[nH]cnc32)c(C)c1 ZINC000127594262 1119071762 /nfs/dbraw/zinc/07/17/62/1119071762.db2.gz QXKLPPKUVRVGKR-UHFFFAOYSA-N 0 1 297.333 3.880 20 0 CHADMN COC[C@H]1CCCN(Cc2csc(C(F)(F)F)c2)C1 ZINC000628171490 1128820655 /nfs/dbraw/zinc/82/06/55/1128820655.db2.gz DESAXDOTTRZCGQ-JTQLQIEISA-N 0 1 293.354 3.625 20 0 CHADMN c1nc(C2CC2)oc1CN1CCCO[C@@H](c2ccccc2)C1 ZINC000628163292 1128820013 /nfs/dbraw/zinc/82/00/13/1128820013.db2.gz WPBHALDHQOWTFM-QGZVFWFLSA-N 0 1 298.386 3.516 20 0 CHADMN Cc1nc(CN2CCC(C)(c3ccccc3)CC2)[nH]c1C ZINC000628164686 1128820551 /nfs/dbraw/zinc/82/05/51/1128820551.db2.gz YVJMBDUGZWUZPB-UHFFFAOYSA-N 0 1 283.419 3.580 20 0 CHADMN CCc1cc(C(=O)N2CCC[C@@H]2c2c(C)cccc2C)n[nH]1 ZINC000617175735 1128820590 /nfs/dbraw/zinc/82/05/90/1128820590.db2.gz OABOVCOBWNBOJZ-MRXNPFEDSA-N 0 1 297.402 3.566 20 0 CHADMN CC(C)[N@@H+](Cc1cccs1)Cc1cccc(C(=O)[O-])c1 ZINC000049029882 1119084600 /nfs/dbraw/zinc/08/46/00/1119084600.db2.gz WUIZEOICZMWZDE-UHFFFAOYSA-N 0 1 289.400 3.857 20 0 CHADMN FC(F)c1ccc(CNCc2ccnn2CC2CC2)cc1 ZINC000657435115 1119086503 /nfs/dbraw/zinc/08/65/03/1119086503.db2.gz CSZUBGCZYGFNTK-UHFFFAOYSA-N 0 1 291.345 3.521 20 0 CHADMN COCc1csc(CNCc2ccc(Cl)cc2F)c1 ZINC000657440234 1119092563 /nfs/dbraw/zinc/09/25/63/1119092563.db2.gz OWLKJMYNUKQILJ-UHFFFAOYSA-N 0 1 299.798 3.977 20 0 CHADMN CN(CC[C@H]1CCCO1)Cc1cc(Cl)ccc1Cl ZINC000342594077 1119094475 /nfs/dbraw/zinc/09/44/75/1119094475.db2.gz FXFXLCPBSLGQTJ-CYBMUJFWSA-N 0 1 288.218 3.994 20 0 CHADMN COc1cccc(C2=CCN([C@@H](C)c3cccnc3)CC2)c1 ZINC000342605374 1119099276 /nfs/dbraw/zinc/09/92/76/1119099276.db2.gz YTOCKIGFYCOCOH-HNNXBMFYSA-N 0 1 294.398 3.941 20 0 CHADMN Cc1cccc(C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)n1 ZINC000342612694 1119101186 /nfs/dbraw/zinc/10/11/86/1119101186.db2.gz YSSPHJSHSKZRPE-IBGZPJMESA-N 0 1 295.430 3.793 20 0 CHADMN COc1c(C)cnc(CN[C@H](C)c2ccc(C)cc2)c1C ZINC000049556889 1119103971 /nfs/dbraw/zinc/10/39/71/1119103971.db2.gz GSQAGOFKXYFZJA-OAHLLOKOSA-N 0 1 284.403 3.866 20 0 CHADMN CC[C@@H]1C[C@@H](N[C@H](c2ccc(C)cc2)c2ccccn2)CO1 ZINC000657452789 1119107116 /nfs/dbraw/zinc/10/71/16/1119107116.db2.gz JSMBERHRFQGQPZ-ZHALLVOQSA-N 0 1 296.414 3.637 20 0 CHADMN CC(C)CN(C)Cc1ncc(-c2ccccc2)s1 ZINC000342640737 1119108441 /nfs/dbraw/zinc/10/84/41/1119108441.db2.gz ULXAKVSJJVRLBF-UHFFFAOYSA-N 0 1 260.406 3.898 20 0 CHADMN CSc1ccccc1CN1CCOC2(CCCCC2)C1 ZINC000511156080 1119109332 /nfs/dbraw/zinc/10/93/32/1119109332.db2.gz ODDHXLGJOCNEIS-UHFFFAOYSA-N 0 1 291.460 3.944 20 0 CHADMN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000640330955 1119110485 /nfs/dbraw/zinc/11/04/85/1119110485.db2.gz KSZBUTCITFNYFP-VHSXEESVSA-N 0 1 299.365 3.634 20 0 CHADMN Cn1ncc(C2CC2)c1CN[C@H]1CCCc2c(F)cccc21 ZINC000657476271 1119119093 /nfs/dbraw/zinc/11/90/93/1119119093.db2.gz DEBXNXMEYCXXRG-KRWDZBQOSA-N 0 1 299.393 3.604 20 0 CHADMN Cc1ccc(CN(C)CCCC(=O)c2ccccc2)o1 ZINC000049824747 1119126164 /nfs/dbraw/zinc/12/61/64/1119126164.db2.gz YAQCRQIBBYXQRN-UHFFFAOYSA-N 0 1 271.360 3.683 20 0 CHADMN C[C@H]1c2ccsc2CCN1CCCC(=O)OC(C)(C)C ZINC000342700554 1119131590 /nfs/dbraw/zinc/13/15/90/1119131590.db2.gz XFBYOKMJMPUVQJ-LBPRGKRZSA-N 0 1 295.448 3.789 20 0 CHADMN COc1cccc([C@@H](C)N2CCOc3ccccc3C2)c1 ZINC000079401194 1119133168 /nfs/dbraw/zinc/13/31/68/1119133168.db2.gz UIOVOCBYHLHRNT-CQSZACIVSA-N 0 1 283.371 3.651 20 0 CHADMN CCCn1nccc1CN[C@@H](CC)c1ccccc1F ZINC000657501774 1119134420 /nfs/dbraw/zinc/13/44/20/1119134420.db2.gz YPUUBLAHRKTICH-INIZCTEOSA-N 0 1 275.371 3.673 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@@H]1CCCc2cccnc21 ZINC000684957233 1119141178 /nfs/dbraw/zinc/14/11/78/1119141178.db2.gz HTFBNVYCIGHQBB-DLBZAZTESA-N 0 1 294.398 3.745 20 0 CHADMN c1cncc([C@H](N[C@@H]2CCCc3cccnc32)C2CC2)c1 ZINC000684960140 1119143574 /nfs/dbraw/zinc/14/35/74/1119143574.db2.gz OCNXGVKELSIWHH-IAGOWNOFSA-N 0 1 279.387 3.595 20 0 CHADMN c1ccc(C2(N[C@@H]3CCCc4cccnc43)CC2)cc1 ZINC000684961145 1119144081 /nfs/dbraw/zinc/14/40/81/1119144081.db2.gz NWLVNTRXHBXNLU-MRXNPFEDSA-N 0 1 264.372 3.738 20 0 CHADMN CCCn1cc(CNCc2cc(Cl)cc(Cl)c2)cn1 ZINC000657523074 1119154782 /nfs/dbraw/zinc/15/47/82/1119154782.db2.gz KLTWQEQJCPUDNG-UHFFFAOYSA-N 0 1 298.217 3.890 20 0 CHADMN CC[C@H](CN(CC)Cc1ncc(C)n1C)c1ccccc1 ZINC000342768968 1119159013 /nfs/dbraw/zinc/15/90/13/1119159013.db2.gz OUUYDONJKLYMMP-MRXNPFEDSA-N 0 1 285.435 3.744 20 0 CHADMN CC[C@H]1CCCN([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC000117344991 1119162591 /nfs/dbraw/zinc/16/25/91/1119162591.db2.gz OCNXZGYDKNVDLO-STQMWFEESA-N 0 1 265.401 3.766 20 0 CHADMN CC(C)C[C@H]1CCN(Cc2ncc(C(C)(C)C)o2)C1 ZINC000074995097 1119172086 /nfs/dbraw/zinc/17/20/86/1119172086.db2.gz JYIAXNALXSEKFW-CYBMUJFWSA-N 0 1 264.413 3.840 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc(C(C)(C)C)nc2)cc1 ZINC000342801492 1119176844 /nfs/dbraw/zinc/17/68/44/1119176844.db2.gz WZDCMPHJMWCZJA-UHFFFAOYSA-N 0 1 283.419 3.715 20 0 CHADMN CCc1nnc(C[N@@H+](C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)o1 ZINC000075886499 1119179967 /nfs/dbraw/zinc/17/99/67/1119179967.db2.gz FQJYDYNZZFMYEY-HZPDHXFCSA-N 0 1 299.418 3.709 20 0 CHADMN CCc1nnc(CN(C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)o1 ZINC000075886499 1119179970 /nfs/dbraw/zinc/17/99/70/1119179970.db2.gz FQJYDYNZZFMYEY-HZPDHXFCSA-N 0 1 299.418 3.709 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)Cc1nc(C)no1 ZINC000075885768 1119180105 /nfs/dbraw/zinc/18/01/05/1119180105.db2.gz RCMZUISKQYTIOX-INIZCTEOSA-N 0 1 287.407 3.530 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N(CC)Cc1nc(C)no1 ZINC000075885768 1119180106 /nfs/dbraw/zinc/18/01/06/1119180106.db2.gz RCMZUISKQYTIOX-INIZCTEOSA-N 0 1 287.407 3.530 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc(C)c(F)c(C)c2)nc(C)n1 ZINC000342807484 1119183798 /nfs/dbraw/zinc/18/37/98/1119183798.db2.gz ZYIUNOPDDLVWQE-ZDUSSCGKSA-N 0 1 287.382 3.700 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2)C(C)C)nc(C)n1 ZINC000342810140 1119187061 /nfs/dbraw/zinc/18/70/61/1119187061.db2.gz OUSNZJQJZDFSNF-QGZVFWFLSA-N 0 1 269.392 3.580 20 0 CHADMN Cc1nc(C)c(CNCc2ccc([C@H]3C[C@@H]3C)o2)s1 ZINC000076866796 1119188553 /nfs/dbraw/zinc/18/85/53/1119188553.db2.gz IIBAWIBUTZGSKL-ZANVPECISA-N 0 1 276.405 3.766 20 0 CHADMN C[C@H]1CCCC[C@H]1OCC(=O)Nc1cccc(Cl)c1O ZINC000077010687 1119190597 /nfs/dbraw/zinc/19/05/97/1119190597.db2.gz VHNYFIPJTRNSQY-GXFFZTMASA-N 0 1 297.782 3.579 20 0 CHADMN COc1ccc(CNC2(c3ccccc3)CC2)cc1F ZINC000077378354 1119192258 /nfs/dbraw/zinc/19/22/58/1119192258.db2.gz BAMKHDMHMUDHTQ-UHFFFAOYSA-N 0 1 271.335 3.613 20 0 CHADMN Fc1cc(Cl)cc(CN2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000342818368 1119192580 /nfs/dbraw/zinc/19/25/80/1119192580.db2.gz OFWCQSBJBUZUMT-GJZGRUSLSA-N 0 1 283.774 3.623 20 0 CHADMN C[C@H](Cc1cccs1)N(C)Cc1ncc(C2CC2)o1 ZINC001167609030 1119194004 /nfs/dbraw/zinc/19/40/04/1119194004.db2.gz RWBSLWXANYKCPE-LLVKDONJSA-N 0 1 276.405 3.677 20 0 CHADMN CC(C)(C)c1ncc(CNCc2ccc3occc3c2)cn1 ZINC000657585245 1119197917 /nfs/dbraw/zinc/19/79/17/1119197917.db2.gz QMXZZRNOCRMAKW-UHFFFAOYSA-N 0 1 295.386 3.810 20 0 CHADMN CC[C@@H](C)CCNCc1c(F)cncc1Br ZINC000657587442 1119200434 /nfs/dbraw/zinc/20/04/34/1119200434.db2.gz VCARFSCOYRBZCP-SECBINFHSA-N 0 1 289.192 3.509 20 0 CHADMN FC(F)(F)[C@@H](CNCc1ccccc1)OC1CCCC1 ZINC000657586820 1119201214 /nfs/dbraw/zinc/20/12/14/1119201214.db2.gz MJIGISOBORLBPE-CQSZACIVSA-N 0 1 287.325 3.666 20 0 CHADMN CC(C)n1cc(CN2CCC=C(c3ccccc3)C2)cn1 ZINC000342841893 1119204198 /nfs/dbraw/zinc/20/41/98/1119204198.db2.gz UUIKNDSYSQUNHT-UHFFFAOYSA-N 0 1 281.403 3.753 20 0 CHADMN CC(C)Cn1cc(CN2CCC=C(c3ccccc3)C2)cn1 ZINC000342842248 1119205218 /nfs/dbraw/zinc/20/52/18/1119205218.db2.gz PIIGRAGXNTWIBA-UHFFFAOYSA-N 0 1 295.430 3.828 20 0 CHADMN CCO[C@H]1C[C@H](NCc2csc(-c3cccs3)n2)C1 ZINC000657609341 1119205969 /nfs/dbraw/zinc/20/59/69/1119205969.db2.gz AJGMJAJXASZZOH-UMSPYCQHSA-N 0 1 294.445 3.529 20 0 CHADMN CCCC1CCC(N(C)Cc2ncc(C)n2C)CC1 ZINC000342847598 1119206710 /nfs/dbraw/zinc/20/67/10/1119206710.db2.gz AKPXTRGIUWOCFX-UHFFFAOYSA-N 0 1 263.429 3.519 20 0 CHADMN CC(C)(CO)CCCNc1ccnc2cc(F)ccc21 ZINC000078303722 1119207338 /nfs/dbraw/zinc/20/73/38/1119207338.db2.gz YQDMPBAOPZHMOG-UHFFFAOYSA-N 0 1 276.355 3.585 20 0 CHADMN CCC[N@@H+](Cc1nc(C)c(C)[nH]1)[C@H]1CCc2ccccc2C1 ZINC000628153379 1119207728 /nfs/dbraw/zinc/20/77/28/1119207728.db2.gz MXEGUQAXWHQWCJ-SFHVURJKSA-N 0 1 297.446 3.796 20 0 CHADMN COC[C@H](NCc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC000657610396 1119207856 /nfs/dbraw/zinc/20/78/56/1119207856.db2.gz AYUILUINZPVZPJ-IBGZPJMESA-N 0 1 299.414 3.789 20 0 CHADMN Clc1oc2ccccc2c1CN[C@@H]1COC2(CCC2)C1 ZINC000657631006 1119214556 /nfs/dbraw/zinc/21/45/56/1119214556.db2.gz UEPWSDVDELXYHV-NSHDSACASA-N 0 1 291.778 3.887 20 0 CHADMN COc1cc(C[N@@H+](Cc2ccc(F)cc2)C(C)C)ccn1 ZINC000342863111 1119217138 /nfs/dbraw/zinc/21/71/38/1119217138.db2.gz GGJWSQKPSVPZCR-UHFFFAOYSA-N 0 1 288.366 3.640 20 0 CHADMN COc1cc(CN(Cc2ccc(F)cc2)C(C)C)ccn1 ZINC000342863111 1119217141 /nfs/dbraw/zinc/21/71/41/1119217141.db2.gz GGJWSQKPSVPZCR-UHFFFAOYSA-N 0 1 288.366 3.640 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(Cl)n2)cc1 ZINC000091439263 1119219015 /nfs/dbraw/zinc/21/90/15/1119219015.db2.gz MTUJIBJYKUGTJQ-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN c1ccc2c(c1)CC[C@H]2NCc1nc2c(s1)CCCC2 ZINC000657643292 1119219539 /nfs/dbraw/zinc/21/95/39/1119219539.db2.gz ZZCLHEHXJYRLLW-CQSZACIVSA-N 0 1 284.428 3.799 20 0 CHADMN Cc1n[nH]cc1CN1CCC[C@H]1c1cccc(Cl)c1 ZINC000153440278 1119229803 /nfs/dbraw/zinc/22/98/03/1119229803.db2.gz SOYUYHVXTGBJNZ-HNNXBMFYSA-N 0 1 275.783 3.709 20 0 CHADMN C[C@]1(CC[NH2+]Cc2cccc([O-])c2Cl)CC1(F)F ZINC000657670040 1119236375 /nfs/dbraw/zinc/23/63/75/1119236375.db2.gz IZXZYUJUJVLTNX-LBPRGKRZSA-N 0 1 275.726 3.571 20 0 CHADMN C[C@@]1(CC[NH2+]Cc2cccc([O-])c2Cl)CC1(F)F ZINC000657670038 1119236454 /nfs/dbraw/zinc/23/64/54/1119236454.db2.gz IZXZYUJUJVLTNX-GFCCVEGCSA-N 0 1 275.726 3.571 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](c2ncccc2C)C(C)C)c(C)n1 ZINC000120521632 1119241864 /nfs/dbraw/zinc/24/18/64/1119241864.db2.gz JXXIBGFHZGEPLB-YOEHRIQHSA-N 0 1 298.434 3.845 20 0 CHADMN CCOc1cccc([C@H](C)N[C@@H](C)c2cncs2)c1 ZINC000120575711 1119243420 /nfs/dbraw/zinc/24/34/20/1119243420.db2.gz GQOOAMRAXVKNQV-RYUDHWBXSA-N 0 1 276.405 3.954 20 0 CHADMN CCc1ccc(C2=CCN(Cc3cnc(C)o3)CC2)cc1 ZINC000628235890 1128832044 /nfs/dbraw/zinc/83/20/44/1128832044.db2.gz GZGULPLDQLFVCZ-UHFFFAOYSA-N 0 1 282.387 3.835 20 0 CHADMN Oc1ccc2c(c1)[C@H](NCc1cc(F)cc(Cl)c1)CC2 ZINC000657693554 1119250325 /nfs/dbraw/zinc/25/03/25/1119250325.db2.gz MUIKTNXKZHSDAB-MRXNPFEDSA-N 0 1 291.753 3.962 20 0 CHADMN COc1cc(C)nc(CN[C@H]2c3cc(C)ccc3C[C@@H]2C)c1 ZINC000657696532 1119252425 /nfs/dbraw/zinc/25/24/25/1119252425.db2.gz KIUVVIGBQQIWAI-ORAYPTAESA-N 0 1 296.414 3.730 20 0 CHADMN COCc1cnc(CN2CCCC[C@H]2CC(C)C)s1 ZINC000342939660 1119256621 /nfs/dbraw/zinc/25/66/21/1119256621.db2.gz DIHHGCUCFFKIDY-ZDUSSCGKSA-N 0 1 282.453 3.690 20 0 CHADMN Cc1csc([C@@H](C)NCCc2c(F)cccc2F)n1 ZINC000402027848 1119259574 /nfs/dbraw/zinc/25/95/74/1119259574.db2.gz UHOKCTACQSSKOP-SNVBAGLBSA-N 0 1 282.359 3.623 20 0 CHADMN Cc1ccc(CN(C)Cc2ccccc2N2CCCC2)cn1 ZINC000153713387 1119280890 /nfs/dbraw/zinc/28/08/90/1119280890.db2.gz GDZUDKYICPLFFE-UHFFFAOYSA-N 0 1 295.430 3.622 20 0 CHADMN CC(C)(C)c1cc(=O)n(-c2c(F)cccc2Cl)[nH]1 ZINC000129749299 1119286327 /nfs/dbraw/zinc/28/63/27/1119286327.db2.gz IJELFMOZHWWGSD-UHFFFAOYSA-N 0 1 268.719 3.668 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccc(F)cn2)cc1 ZINC000147825230 1119294316 /nfs/dbraw/zinc/29/43/16/1119294316.db2.gz NCFNWXOIRSUKDK-NWDGAFQWSA-N 0 1 274.339 3.641 20 0 CHADMN CC[C@@]1(CO)CCCN1Cc1csc(C(F)(F)F)c1 ZINC000628245468 1128835579 /nfs/dbraw/zinc/83/55/79/1128835579.db2.gz YGMKZKJFVGSYRW-LBPRGKRZSA-N 0 1 293.354 3.504 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]1Cc1cccc(O)c1Cl ZINC000393367123 1119303153 /nfs/dbraw/zinc/30/31/53/1119303153.db2.gz GQHUPFGLWMLKRY-LBPRGKRZSA-N 0 1 253.773 3.666 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000393367123 1119303156 /nfs/dbraw/zinc/30/31/56/1119303156.db2.gz GQHUPFGLWMLKRY-LBPRGKRZSA-N 0 1 253.773 3.666 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]1Cc1cccc([O-])c1Cl ZINC000393367123 1119303159 /nfs/dbraw/zinc/30/31/59/1119303159.db2.gz GQHUPFGLWMLKRY-LBPRGKRZSA-N 0 1 253.773 3.666 20 0 CHADMN COc1nccc(Nc2ccc3[nH]c(C)nc3c2)c1Cl ZINC001213070522 1128836220 /nfs/dbraw/zinc/83/62/20/1128836220.db2.gz URXKDOFAIWEXNF-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN COCc1nc(CN[C@H](C)CCCC(C)C)cs1 ZINC000343082269 1119303967 /nfs/dbraw/zinc/30/39/67/1119303967.db2.gz KZWDSHNMMHMEMJ-GFCCVEGCSA-N 0 1 270.442 3.594 20 0 CHADMN Cc1nc2ccc(Nc3ncc(Cl)nc3Cl)cc2[nH]1 ZINC001213070549 1128836319 /nfs/dbraw/zinc/83/63/19/1128836319.db2.gz VRQUNIRSXYFOEU-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN CC(C)c1cnc(CNC[C@H]2C(C)(C)C2(F)F)s1 ZINC000657736881 1119305473 /nfs/dbraw/zinc/30/54/73/1119305473.db2.gz GNNHXLOUUVDNOI-JTQLQIEISA-N 0 1 274.380 3.647 20 0 CHADMN C[C@@]1(CNCc2c(F)cc(F)c(F)c2F)CCCS1 ZINC000628254934 1128836427 /nfs/dbraw/zinc/83/64/27/1128836427.db2.gz VHABTCDVTFBJJR-ZDUSSCGKSA-N 0 1 293.329 3.618 20 0 CHADMN Cc1ccc(CN2C[C@H](C)[C@@H]2c2ccccc2)nc1 ZINC000154360993 1119308808 /nfs/dbraw/zinc/30/88/08/1119308808.db2.gz ZRAVOSKSJHSRHY-WMLDXEAASA-N 0 1 252.361 3.583 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1CCc2ccc(Cl)cc21 ZINC000343102292 1119311640 /nfs/dbraw/zinc/31/16/40/1119311640.db2.gz HSRLZNQBDGZVLZ-OAHLLOKOSA-N 0 1 276.767 3.722 20 0 CHADMN CCc1ccc(NC(=O)c2ccc3cncn3c2)cc1Cl ZINC000343114363 1119315918 /nfs/dbraw/zinc/31/59/18/1119315918.db2.gz UBIGGPKCTZOWSG-UHFFFAOYSA-N 0 1 299.761 3.802 20 0 CHADMN CN(C)c1ncccc1CN[C@H]1CC(C)(C)Cc2occc21 ZINC000154749399 1119318710 /nfs/dbraw/zinc/31/87/10/1119318710.db2.gz JJWATSFDLAAKKJ-HNNXBMFYSA-N 0 1 299.418 3.544 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2c(C)noc2C)cc1 ZINC000092326294 1119327438 /nfs/dbraw/zinc/32/74/38/1119327438.db2.gz DFCJBGSSUYSLDN-MNOVXSKESA-N 0 1 274.364 3.712 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@H](C)c1cccs1 ZINC000092327928 1119328000 /nfs/dbraw/zinc/32/80/00/1119328000.db2.gz HMNCIZGVFNVIMJ-BDAKNGLRSA-N 0 1 250.367 3.765 20 0 CHADMN CC[C@H](COC)N[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000155270353 1119330756 /nfs/dbraw/zinc/33/07/56/1119330756.db2.gz MPJIKXVTFZBVEP-BDAKNGLRSA-N 0 1 296.358 3.628 20 0 CHADMN O=C(CCCC1CCCC1)Nc1cccc(-c2nnc[nH]2)c1 ZINC000080278207 1119352468 /nfs/dbraw/zinc/35/24/68/1119352468.db2.gz YKRJCPYBEGZVLT-UHFFFAOYSA-N 0 1 298.390 3.771 20 0 CHADMN CCc1ccc([C@@H]2CCCN(Cc3nc(C)c[nH]3)C2)cc1 ZINC000628275469 1128840979 /nfs/dbraw/zinc/84/09/79/1128840979.db2.gz OKOLAYOFIAIGSU-QGZVFWFLSA-N 0 1 283.419 3.660 20 0 CHADMN CCCc1nc(CN([C@H](C)C2CC2)C2CC2)cs1 ZINC000047909882 1119371920 /nfs/dbraw/zinc/37/19/20/1119371920.db2.gz KKUJETOHQFNQHK-LLVKDONJSA-N 0 1 264.438 3.859 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1ncc(C(C)C)s1 ZINC000583532651 1119373741 /nfs/dbraw/zinc/37/37/41/1119373741.db2.gz KYCIAAYEMDMCOH-NSHDSACASA-N 0 1 272.483 3.840 20 0 CHADMN Cc1cc(CNCc2ccoc2)ccc1Br ZINC000128705546 1119383514 /nfs/dbraw/zinc/38/35/14/1119383514.db2.gz GUFQWMKTRKBZDS-UHFFFAOYSA-N 0 1 280.165 3.640 20 0 CHADMN C[C@H](N[C@@H]1CCCc2ccccc21)c1ccc(F)cn1 ZINC000147615686 1119387544 /nfs/dbraw/zinc/38/75/44/1119387544.db2.gz ZBOSJVJPOAEQMR-YVEFUNNKSA-N 0 1 270.351 3.949 20 0 CHADMN COc1cccc([C@H]2C[C@H](N(C)Cc3cncs3)C2)c1 ZINC000449752569 1119395651 /nfs/dbraw/zinc/39/56/51/1119395651.db2.gz CYUGRIXAXHRSSU-HDJSIYSDSA-N 0 1 288.416 3.530 20 0 CHADMN CSc1ccc(C)c(NC(=O)CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000343354950 1119396337 /nfs/dbraw/zinc/39/63/37/1119396337.db2.gz YOZNHLCSLWVYAI-STQMWFEESA-N 0 1 292.448 3.528 20 0 CHADMN c1csc([C@H]2CCCN2Cc2cnc(C3CC3)o2)c1 ZINC000628121217 1119403086 /nfs/dbraw/zinc/40/30/86/1119403086.db2.gz WVWBELPLLZHVQT-CYBMUJFWSA-N 0 1 274.389 3.951 20 0 CHADMN C[C@@H]1CC[C@H](Sc2nc(Cc3ccccc3)n[nH]2)C1 ZINC001307333698 1119420811 /nfs/dbraw/zinc/42/08/11/1119420811.db2.gz ONOGLFJCGGEAJP-YPMHNXCESA-N 0 1 273.405 3.676 20 0 CHADMN C[C@@H]1CC[C@H](Sc2n[nH]c(Cc3ccccc3)n2)C1 ZINC001307333698 1119420813 /nfs/dbraw/zinc/42/08/13/1119420813.db2.gz ONOGLFJCGGEAJP-YPMHNXCESA-N 0 1 273.405 3.676 20 0 CHADMN Cc1ccc(CNCc2ccc(-c3cccnc3)cc2)o1 ZINC000080536858 1119421005 /nfs/dbraw/zinc/42/10/05/1119421005.db2.gz CHKKSTALFBOSRG-UHFFFAOYSA-N 0 1 278.355 3.940 20 0 CHADMN Cc1cccc2c1CCC[C@H]2NCc1c(Cl)cnn1C ZINC000657799294 1119422560 /nfs/dbraw/zinc/42/25/60/1119422560.db2.gz UFDPONWJBFZLJN-OAHLLOKOSA-N 0 1 289.810 3.549 20 0 CHADMN C[C@H](c1ccco1)N(C)Cc1ccc2[nH]ccc2c1 ZINC000628132320 1119422861 /nfs/dbraw/zinc/42/28/61/1119422861.db2.gz CCKXZYHPFNFJOG-GFCCVEGCSA-N 0 1 254.333 3.954 20 0 CHADMN CC(C)c1ccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000132200157 1119444166 /nfs/dbraw/zinc/44/41/66/1119444166.db2.gz BQIOLSSXTMQFPL-CQSZACIVSA-N 0 1 283.375 3.592 20 0 CHADMN CCn1cc(CN(C)C/C=C/c2ccc(Cl)cc2)cn1 ZINC000527296942 1119457703 /nfs/dbraw/zinc/45/77/03/1119457703.db2.gz HAVNDLWNPHXSSF-SNAWJCMRSA-N 0 1 289.810 3.702 20 0 CHADMN CC[C@@H]1CCCN1Cc1nc2c(cccc2F)n1CC ZINC000343577503 1119461291 /nfs/dbraw/zinc/46/12/91/1119461291.db2.gz JBBAQNPHIMQAKL-GFCCVEGCSA-N 0 1 275.371 3.570 20 0 CHADMN CC[C@@H](NCc1noc(-c2ccsc2)n1)C(C)(C)C ZINC000343587404 1119463349 /nfs/dbraw/zinc/46/33/49/1119463349.db2.gz GHEBVMHXSCQSAE-LLVKDONJSA-N 0 1 279.409 3.712 20 0 CHADMN C[C@@H](O)[C@H](NCc1ccccc1Cl)c1ccccc1 ZINC000657821027 1119464826 /nfs/dbraw/zinc/46/48/26/1119464826.db2.gz YELHCPCROIWKRO-WBMJQRKESA-N 0 1 275.779 3.552 20 0 CHADMN CCC[C@H]1CCCCN1Cc1cncc(Br)c1 ZINC000168707965 1119472522 /nfs/dbraw/zinc/47/25/22/1119472522.db2.gz XCOSBBVCDIHRMB-AWEZNQCLSA-N 0 1 297.240 3.999 20 0 CHADMN Cc1cc(C)c(CN[C@H]2CCc3c2nccc3Cl)cn1 ZINC000926552461 1119472996 /nfs/dbraw/zinc/47/29/96/1119472996.db2.gz WDAJLTQQIXKBPO-HNNXBMFYSA-N 0 1 287.794 3.524 20 0 CHADMN CC(C)C[C@H]1CCCCCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC000343622514 1119473806 /nfs/dbraw/zinc/47/38/06/1119473806.db2.gz KJKXLXKOGCWZOO-CQSZACIVSA-N 0 1 289.423 3.718 20 0 CHADMN Cc1ccc(C(=O)CCN(C)[C@H](C)c2ccco2)cc1 ZINC000158941697 1119477133 /nfs/dbraw/zinc/47/71/33/1119477133.db2.gz YAWMHYDEAULULZ-CQSZACIVSA-N 0 1 271.360 3.854 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCCC2(CCCCC2)CC1 ZINC000565105112 1119477302 /nfs/dbraw/zinc/47/73/02/1119477302.db2.gz LOGUCFFUIWSEQU-UHFFFAOYSA-N 0 1 267.413 3.678 20 0 CHADMN CCCN(CC1CCCCC1)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343651949 1119480168 /nfs/dbraw/zinc/48/01/68/1119480168.db2.gz KTBVTBDJJQSOIT-UHFFFAOYSA-N 0 1 289.423 3.720 20 0 CHADMN CCCN(CC)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000343652072 1119481041 /nfs/dbraw/zinc/48/10/41/1119481041.db2.gz LKRZQWLVBKQPCN-JTQLQIEISA-N 0 1 265.382 3.591 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cc(C)cc(C)c1 ZINC000159053304 1119482119 /nfs/dbraw/zinc/48/21/19/1119482119.db2.gz MJMDHNUXXLILCM-UHFFFAOYSA-N 0 1 271.364 3.711 20 0 CHADMN CN(Cc1csc(C(F)(F)F)c1)CC1=CCCOC1 ZINC000628339020 1128849166 /nfs/dbraw/zinc/84/91/66/1128849166.db2.gz CIOSFJWZEMEDAF-UHFFFAOYSA-N 0 1 291.338 3.545 20 0 CHADMN COc1ccc(C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1Cl ZINC000343695413 1119488417 /nfs/dbraw/zinc/48/84/17/1119488417.db2.gz WVQFGSHDKOBLEG-PHIMTYICSA-N 0 1 253.773 3.721 20 0 CHADMN Cc1cc(C)c(CNCc2cc(F)cc(Cl)c2)cn1 ZINC000397501484 1119495278 /nfs/dbraw/zinc/49/52/78/1119495278.db2.gz SHGHUIWOEZEZKR-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN Cc1nc(CN2CCCC[C@H]2CCC(C)C)[nH]c1C ZINC000628190727 1119504063 /nfs/dbraw/zinc/50/40/63/1119504063.db2.gz OCLGDDYPTMAVOI-HNNXBMFYSA-N 0 1 263.429 3.817 20 0 CHADMN CC(C)COc1ccc(CN[C@@H]2CCCn3nccc32)cc1 ZINC000657845745 1119507766 /nfs/dbraw/zinc/50/77/66/1119507766.db2.gz XCJZFCXOCQPAIB-QGZVFWFLSA-N 0 1 299.418 3.543 20 0 CHADMN CC1(C)CCN1Cc1cc(Cl)cc2cccnc21 ZINC000081046482 1119508843 /nfs/dbraw/zinc/50/88/43/1119508843.db2.gz RGGUJOFMNPSVMU-UHFFFAOYSA-N 0 1 260.768 3.873 20 0 CHADMN Cc1noc(C)c1CN[C@@H](C)c1cc2ccncc2s1 ZINC000657851733 1119513200 /nfs/dbraw/zinc/51/32/00/1119513200.db2.gz QKDUVGMCFBQVCO-JTQLQIEISA-N 0 1 287.388 3.752 20 0 CHADMN C[C@@H](NC1(c2ccccc2F)CCC1)c1cccnc1 ZINC000647333434 1119528418 /nfs/dbraw/zinc/52/84/18/1119528418.db2.gz RUNXKCKXULHUQS-CYBMUJFWSA-N 0 1 270.351 3.951 20 0 CHADMN COc1cc(CN[C@H](C)c2cc3cnccc3o2)ccc1C ZINC000657856541 1119529824 /nfs/dbraw/zinc/52/98/24/1119529824.db2.gz OGKAWIOXGVSXHU-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN c1cc(CNCc2ccccc2OCc2ccccc2)c[nH]1 ZINC000086252074 1119533582 /nfs/dbraw/zinc/53/35/82/1119533582.db2.gz LYWDNBVTMJPJCO-UHFFFAOYSA-N 0 1 292.382 3.884 20 0 CHADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]CC[C@H](C)c2ccccc2)n1 ZINC000628374784 1128852537 /nfs/dbraw/zinc/85/25/37/1128852537.db2.gz BHWZTERVHHURMP-ZDUSSCGKSA-N 0 1 299.418 3.509 20 0 CHADMN COCC[C@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000088484734 1119538783 /nfs/dbraw/zinc/53/87/83/1119538783.db2.gz JYPOIQHBJXZACV-LBPRGKRZSA-N 0 1 290.432 3.826 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2C[C@H]1C)c1nccs1 ZINC000089613704 1119539398 /nfs/dbraw/zinc/53/93/98/1119539398.db2.gz NBIQCJFNCRCIKI-UHIISALHSA-N 0 1 258.390 3.727 20 0 CHADMN Cc1ccnc(NC[C@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000089641405 1119540604 /nfs/dbraw/zinc/54/06/04/1119540604.db2.gz LANNPKWBIDGXPW-ZDUSSCGKSA-N 0 1 294.358 3.656 20 0 CHADMN COc1cccc2c1OCC[C@@H]2N[C@H](C)c1ccccc1 ZINC000089553186 1119542431 /nfs/dbraw/zinc/54/24/31/1119542431.db2.gz DFVJQLDNWAHJDK-CJNGLKHVSA-N 0 1 283.371 3.870 20 0 CHADMN CCc1ccc([C@@H](CO)N[C@@H](C)c2cccc(F)c2)cc1 ZINC000090844624 1119550634 /nfs/dbraw/zinc/55/06/34/1119550634.db2.gz CILHTIVKDGHUBJ-SCLBCKFNSA-N 0 1 287.378 3.772 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2C)C(C)C)on1 ZINC000091333228 1119554579 /nfs/dbraw/zinc/55/45/79/1119554579.db2.gz WLJGHILZKGTHGV-MRXNPFEDSA-N 0 1 258.365 3.778 20 0 CHADMN CC(C)[C@@H](NCc1cc(F)ccc1F)c1cccnc1 ZINC000091333825 1119554924 /nfs/dbraw/zinc/55/49/24/1119554924.db2.gz MCJYVWORBZBVLV-MRXNPFEDSA-N 0 1 276.330 3.847 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000091743722 1119558899 /nfs/dbraw/zinc/55/88/99/1119558899.db2.gz FFKKERNSWHTPOB-BZNIZROVSA-N 0 1 293.769 3.863 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1c(C)nc2ccccn21 ZINC000092224527 1119559225 /nfs/dbraw/zinc/55/92/25/1119559225.db2.gz GGLFWIFVZFTRRT-MRXNPFEDSA-N 0 1 294.402 3.621 20 0 CHADMN Cc1nc(C[N@H+](C)C[C@H]2CCC[C@H](C)C2)cs1 ZINC000092794995 1119567477 /nfs/dbraw/zinc/56/74/77/1119567477.db2.gz AZSMXNNBTHAOHI-AAEUAGOBSA-N 0 1 252.427 3.710 20 0 CHADMN Cc1nc(CN(C)C[C@H]2CCC[C@H](C)C2)cs1 ZINC000092794995 1119567479 /nfs/dbraw/zinc/56/74/79/1119567479.db2.gz AZSMXNNBTHAOHI-AAEUAGOBSA-N 0 1 252.427 3.710 20 0 CHADMN CCc1cnc(CN(C)[C@H]2CCC[C@H](C)C2)s1 ZINC000093807614 1119572094 /nfs/dbraw/zinc/57/20/94/1119572094.db2.gz SZRLPEROWZRRKA-RYUDHWBXSA-N 0 1 252.427 3.716 20 0 CHADMN CN1Cc2ccc(NCc3ccc4occc4c3)cc2C1 ZINC000375765592 1119581896 /nfs/dbraw/zinc/58/18/96/1119581896.db2.gz WUAMIBPRDSSEPL-UHFFFAOYSA-N 0 1 278.355 3.990 20 0 CHADMN CC[C@H](Sc1nc(N)cc(N)n1)c1ccc(Cl)cc1 ZINC000144812301 1119583030 /nfs/dbraw/zinc/58/30/30/1119583030.db2.gz LJEJAWPTOMWVPG-JTQLQIEISA-N 0 1 294.811 3.538 20 0 CHADMN Brc1cccc2c1CCN(CC1CCC1)C2 ZINC000222216588 1119589474 /nfs/dbraw/zinc/58/94/74/1119589474.db2.gz OBRNZUYHCNKIFI-UHFFFAOYSA-N 0 1 280.209 3.607 20 0 CHADMN CC[C@H](C)C[C@@H](CO)N[C@H](c1ccccc1)c1ccccn1 ZINC000647337998 1119594204 /nfs/dbraw/zinc/59/42/04/1119594204.db2.gz YMZKHXOBEYMCPB-VDZJLULYSA-N 0 1 298.430 3.558 20 0 CHADMN Cc1cc(CN2CCOc3ccccc3[C@H]2C)cc(C)c1O ZINC000685411164 1119603876 /nfs/dbraw/zinc/60/38/76/1119603876.db2.gz SHPNPMMPXGWVMS-OAHLLOKOSA-N 0 1 297.398 3.965 20 0 CHADMN CC(C)C[C@H](C)CN[C@@H](c1nccn1C)c1ccccc1 ZINC000685421247 1119604595 /nfs/dbraw/zinc/60/45/95/1119604595.db2.gz NNENMJIXVFEZCA-DOTOQJQBSA-N 0 1 285.435 3.781 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1ncccc1[O-] ZINC000685418899 1119604753 /nfs/dbraw/zinc/60/47/53/1119604753.db2.gz WNIJJUMCMTZHAP-GFCCVEGCSA-N 0 1 290.794 3.504 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1ncccc1[O-] ZINC000685418899 1119604754 /nfs/dbraw/zinc/60/47/54/1119604754.db2.gz WNIJJUMCMTZHAP-GFCCVEGCSA-N 0 1 290.794 3.504 20 0 CHADMN CC(C)C[C@@H](C)CN[C@@H](c1nccn1C)c1ccccc1 ZINC000685421248 1119604817 /nfs/dbraw/zinc/60/48/17/1119604817.db2.gz NNENMJIXVFEZCA-NVXWUHKLSA-N 0 1 285.435 3.781 20 0 CHADMN Cc1ccc([C@H](N[C@@H](c2nccn2C)C2CC2)C2CC2)cc1 ZINC000685439544 1119608307 /nfs/dbraw/zinc/60/83/07/1119608307.db2.gz RDQQIYGCQQSMNY-ZWKOTPCHSA-N 0 1 295.430 3.921 20 0 CHADMN c1cc([C@@H]2CCCC[N@@H+]2C[C@H]2CCOc3ccccc32)n[nH]1 ZINC000685438114 1119608606 /nfs/dbraw/zinc/60/86/06/1119608606.db2.gz MPRVPBGCCZORHU-PBHICJAKSA-N 0 1 297.402 3.503 20 0 CHADMN c1cc2c(o1)CCCN(Cc1cc3ccccc3[nH]1)C2 ZINC000685477566 1119613961 /nfs/dbraw/zinc/61/39/61/1119613961.db2.gz OIGZOSKJBKNFSO-UHFFFAOYSA-N 0 1 266.344 3.709 20 0 CHADMN COc1cc(CNCc2ccc3ccccc3n2)ccc1C ZINC000343806235 1119621045 /nfs/dbraw/zinc/62/10/45/1119621045.db2.gz KJWPTVPSADYRKQ-UHFFFAOYSA-N 0 1 292.382 3.842 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2cc(C(C)(C)C)on2)C1 ZINC000685565608 1119631197 /nfs/dbraw/zinc/63/11/97/1119631197.db2.gz KDOPVMAHWIMNHM-VXGBXAGGSA-N 0 1 250.386 3.593 20 0 CHADMN Cc1cn[nH]c1CNc1cccc(OCC(F)(F)F)c1C ZINC000685619067 1119639159 /nfs/dbraw/zinc/63/91/59/1119639159.db2.gz MUAACKHMGRRTCP-UHFFFAOYSA-N 0 1 299.296 3.580 20 0 CHADMN CC[C@H](N[C@@H]1CCCn2nccc21)c1cc(F)ccc1F ZINC000657920550 1119641006 /nfs/dbraw/zinc/64/10/06/1119641006.db2.gz HONSZIZUGMNFJU-LSDHHAIUSA-N 0 1 291.345 3.737 20 0 CHADMN CCC[C@H](NCc1cc(OC)ns1)c1ccccc1 ZINC000399145521 1119644542 /nfs/dbraw/zinc/64/45/42/1119644542.db2.gz DIUJNLPZUZIBJE-AWEZNQCLSA-N 0 1 276.405 3.783 20 0 CHADMN C[C@@H](NCc1noc(-c2ccsc2)n1)C1CCCCC1 ZINC000182689937 1119646532 /nfs/dbraw/zinc/64/65/32/1119646532.db2.gz GADLORGHANPVSC-LLVKDONJSA-N 0 1 291.420 3.857 20 0 CHADMN COc1cc(F)cc(CNCc2ccc(F)c(Cl)c2)c1 ZINC000093970430 1119662416 /nfs/dbraw/zinc/66/24/16/1119662416.db2.gz VHCDQUFFVQSGSO-UHFFFAOYSA-N 0 1 297.732 3.917 20 0 CHADMN C[C@@H](NCc1nnc(C(F)(F)F)s1)C1CCCCC1 ZINC000660177007 1128861016 /nfs/dbraw/zinc/86/10/16/1128861016.db2.gz AUWFDBWXQHHKRX-MRVPVSSYSA-N 0 1 293.358 3.615 20 0 CHADMN Fc1ccc(C2CC2)cc1CN[C@H]1CCCn2nccc21 ZINC000658023425 1119668189 /nfs/dbraw/zinc/66/81/89/1119668189.db2.gz BQMUEQURKJFUSM-INIZCTEOSA-N 0 1 285.366 3.524 20 0 CHADMN CC[C@@H](NCc1cc(Cl)cc(Cl)c1)c1cnn(C)c1 ZINC000658054398 1119676124 /nfs/dbraw/zinc/67/61/24/1119676124.db2.gz DSUCLNSRBAMWIL-CQSZACIVSA-N 0 1 298.217 3.968 20 0 CHADMN COc1cc(C)c(C)cc1N[C@H](C)c1cn[nH]c1C ZINC000658112957 1119684133 /nfs/dbraw/zinc/68/41/33/1119684133.db2.gz GCVBSKGCSAUBHU-LLVKDONJSA-N 0 1 259.353 3.517 20 0 CHADMN C[C@@H](NCc1cccnc1N1CCCC1)c1cccc(F)c1 ZINC000658101476 1119685406 /nfs/dbraw/zinc/68/54/06/1119685406.db2.gz QTVWZPIPZMRDDK-CQSZACIVSA-N 0 1 299.393 3.672 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@H+]([C@H](C)c2ccc(Cl)cc2)C1 ZINC000300288389 1119691443 /nfs/dbraw/zinc/69/14/43/1119691443.db2.gz SJIZJNPZJQUNEX-MLGOLLRUSA-N 0 1 295.810 3.834 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@H](c1ccccc1F)C(C)C ZINC000658165813 1119695173 /nfs/dbraw/zinc/69/51/73/1119695173.db2.gz GZSUYFVMZQLPRU-ZBEGNZNMSA-N 0 1 275.371 3.905 20 0 CHADMN COC[C@@H](N[C@@H](C)c1cccs1)c1cccc(OC)c1 ZINC000658166496 1119695258 /nfs/dbraw/zinc/69/52/58/1119695258.db2.gz VKBUZSIQKODBMI-SWLSCSKDSA-N 0 1 291.416 3.795 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1ccc(Cl)c(Cl)c1 ZINC000658209732 1119702516 /nfs/dbraw/zinc/70/25/16/1119702516.db2.gz RUOXWRLJSGAGIS-MRVPVSSYSA-N 0 1 284.190 3.876 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@H]2CCC[C@@H](C)O2)cs1 ZINC000658216738 1119708674 /nfs/dbraw/zinc/70/86/74/1119708674.db2.gz AWBMPUIRJHCBHW-JHJVBQTASA-N 0 1 282.453 3.875 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCn3ccnc31)[C@H](C)C2 ZINC000658243156 1119711122 /nfs/dbraw/zinc/71/11/22/1119711122.db2.gz BPDWHYIQHGXVJB-XYPHTWIQSA-N 0 1 281.403 3.550 20 0 CHADMN Cn1ncc(C2CCC2)c1CN[C@@H]1CCc2cc(F)ccc21 ZINC000658268004 1119713903 /nfs/dbraw/zinc/71/39/03/1119713903.db2.gz JYZMSHAWDSINKA-QGZVFWFLSA-N 0 1 299.393 3.604 20 0 CHADMN CCc1ccc(C2CCN(Cc3n[nH]cc3C)CC2)cc1 ZINC000628476042 1128864132 /nfs/dbraw/zinc/86/41/32/1128864132.db2.gz YNGLYLLGUYJVQR-UHFFFAOYSA-N 0 1 283.419 3.660 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1c(C2CCC2)cnn1C ZINC000658268525 1119715594 /nfs/dbraw/zinc/71/55/94/1119715594.db2.gz ITCQVXILALZOQO-CYBMUJFWSA-N 0 1 299.418 3.547 20 0 CHADMN c1csc(CC2CN(Cc3cc4cnccc4o3)C2)c1 ZINC000628479315 1128864458 /nfs/dbraw/zinc/86/44/58/1128864458.db2.gz IXHFRMVHOVHRGF-UHFFFAOYSA-N 0 1 284.384 3.564 20 0 CHADMN CC(C)[C@@H](O)[C@H](N[C@@H](C)c1ccco1)c1ccccc1 ZINC000658289037 1119718831 /nfs/dbraw/zinc/71/88/31/1119718831.db2.gz VUROMOLJVUDNDY-IAOVAPTHSA-N 0 1 273.376 3.688 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCCc3c(C)cccc32)nn1C ZINC000658340007 1119728047 /nfs/dbraw/zinc/72/80/47/1119728047.db2.gz WARZDJYIHUQHAU-WMLDXEAASA-N 0 1 283.419 3.765 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](c2ccccc2)[C@@H](C)O)c(C)o1 ZINC000658360992 1119731697 /nfs/dbraw/zinc/73/16/97/1119731697.db2.gz MWOOGDQMAPKKNE-OGHNNQOOSA-N 0 1 273.376 3.669 20 0 CHADMN Cc1ccc(Br)cc1CNCc1ccns1 ZINC000404322296 1119751344 /nfs/dbraw/zinc/75/13/44/1119751344.db2.gz ROCJPRMEOXWSGP-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@@H](c3ccc(F)cc3)CC2)n1 ZINC000628234571 1119756519 /nfs/dbraw/zinc/75/65/19/1119756519.db2.gz FMGSPUBMALQASA-CQSZACIVSA-N 0 1 287.382 3.627 20 0 CHADMN CCCCC[C@@H](N[C@@H](C)c1nc(COC)no1)C(C)(C)C ZINC000181335134 1128867081 /nfs/dbraw/zinc/86/70/81/1128867081.db2.gz BPGGDAAPGPLPAO-QWHCGFSZSA-N 0 1 297.443 3.862 20 0 CHADMN CCOc1ncc(CN(CC)Cc2ccccc2)cc1F ZINC001236690570 1128867729 /nfs/dbraw/zinc/86/77/29/1128867729.db2.gz NXEUKEIYQSUMTM-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000375843744 1119768378 /nfs/dbraw/zinc/76/83/78/1119768378.db2.gz BKWDZNOTZKNTST-VMGRFDJRSA-N 0 1 299.418 3.782 20 0 CHADMN C[C@H](c1cccc(Br)c1)N1C[C@@H](C)[C@@H]1C ZINC000584483483 1119792018 /nfs/dbraw/zinc/79/20/18/1119792018.db2.gz PBTPCWQRTVWKMH-OUAUKWLOSA-N 0 1 268.198 3.850 20 0 CHADMN Cc1ncccc1CNCc1ccccc1OCC(C)C ZINC000236654929 1119796204 /nfs/dbraw/zinc/79/62/04/1119796204.db2.gz PSFQLVIEDPEZKO-UHFFFAOYSA-N 0 1 284.403 3.715 20 0 CHADMN C#CCN(Cc1cccc(F)c1F)C1CCCCC1 ZINC000065960485 1119796407 /nfs/dbraw/zinc/79/64/07/1119796407.db2.gz FPGGHURCMQOJOI-UHFFFAOYSA-N 0 1 263.331 3.733 20 0 CHADMN C[C@H](NC1CSC1)c1ccc(Cl)cc1Cl ZINC000309001099 1119799135 /nfs/dbraw/zinc/79/91/35/1119799135.db2.gz OCYVMTNTYXVWIQ-ZETCQYMHSA-N 0 1 262.205 3.759 20 0 CHADMN Cc1[nH]ncc1CN(C)C(=O)C[C@H](c1ccccc1)C(C)C ZINC000636076669 1119812390 /nfs/dbraw/zinc/81/23/90/1119812390.db2.gz GAFYGYKUEMLVKO-KRWDZBQOSA-N 0 1 299.418 3.506 20 0 CHADMN CCCCOCCNCc1ncc(-c2ccccc2)s1 ZINC000092375518 1119814130 /nfs/dbraw/zinc/81/41/30/1119814130.db2.gz UTSOEKIJSGLETC-UHFFFAOYSA-N 0 1 290.432 3.716 20 0 CHADMN Cc1ccc([C@@H](N[C@@H]2C=CCC2)c2cccnc2)cc1 ZINC000926691681 1119815919 /nfs/dbraw/zinc/81/59/19/1119815919.db2.gz UQWQMBREBXAIIG-QZTJIDSGSA-N 0 1 264.372 3.788 20 0 CHADMN Clc1ccc(CN2CCCC3(CCCC3)C2)cn1 ZINC000782636800 1119818907 /nfs/dbraw/zinc/81/89/07/1119818907.db2.gz LKOHXVCDZPQZLD-UHFFFAOYSA-N 0 1 264.800 3.891 20 0 CHADMN Cc1ccccc1C[C@H](C)[N@@H+](C)CCCCCC(=O)[O-] ZINC000570337992 1119821903 /nfs/dbraw/zinc/82/19/03/1119821903.db2.gz KQMRNTGXAJXOKL-HNNXBMFYSA-N 0 1 277.408 3.503 20 0 CHADMN CSc1ccc(CN2CCC(F)(F)[C@@H](C)C2)s1 ZINC000584501459 1119830683 /nfs/dbraw/zinc/83/06/83/1119830683.db2.gz DQWSIMORZZFOQR-VIFPVBQESA-N 0 1 277.405 3.947 20 0 CHADMN CSc1ccc(CN2CCC(F)(F)[C@H](C)C2)s1 ZINC000584501458 1119830668 /nfs/dbraw/zinc/83/06/68/1119830668.db2.gz DQWSIMORZZFOQR-SECBINFHSA-N 0 1 277.405 3.947 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@H]1COc3ccc(C)cc31)CC2 ZINC000376153071 1119847461 /nfs/dbraw/zinc/84/74/61/1119847461.db2.gz UWHGSJPZRJAYDA-MSOLQXFVSA-N 0 1 295.382 3.714 20 0 CHADMN CC1(C)CC[C@@H]1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000613041151 1119854930 /nfs/dbraw/zinc/85/49/30/1119854930.db2.gz QKGBSFVUEPJSHN-SECBINFHSA-N 0 1 293.317 3.875 20 0 CHADMN CC1=C[C@H](C)C[C@@H](C[N@H+]2CCOC[C@@H]2c2ccco2)C1 ZINC000685837176 1119856928 /nfs/dbraw/zinc/85/69/28/1119856928.db2.gz NMNBVCCDXUWPOD-NUEKZKHPSA-N 0 1 275.392 3.645 20 0 CHADMN CC1=C[C@H](C)C[C@@H](CN2CCOC[C@@H]2c2ccco2)C1 ZINC000685837176 1119856931 /nfs/dbraw/zinc/85/69/31/1119856931.db2.gz NMNBVCCDXUWPOD-NUEKZKHPSA-N 0 1 275.392 3.645 20 0 CHADMN C[C@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccn(C)n1 ZINC000414066444 1119877470 /nfs/dbraw/zinc/87/74/70/1119877470.db2.gz PKUZRVQEPBEKHL-ZBEGNZNMSA-N 0 1 289.810 3.875 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1cc2n(n1)CCC2)c1ccccc1 ZINC000414066149 1119879342 /nfs/dbraw/zinc/87/93/42/1119879342.db2.gz PIBHTXJCQKGJCW-KDOFPFPSSA-N 0 1 283.419 3.877 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1ccn(C)n1 ZINC000414077886 1119884526 /nfs/dbraw/zinc/88/45/26/1119884526.db2.gz ZQIMDLYJZWEVBW-UONOGXRCSA-N 0 1 283.419 3.711 20 0 CHADMN C[C@@H](N[C@@H](c1nccs1)c1ccccc1)[C@H]1C[C@H]1C ZINC000414082033 1119888876 /nfs/dbraw/zinc/88/88/76/1119888876.db2.gz UUGBMQVXCLFKDV-RJZRQDKASA-N 0 1 272.417 3.867 20 0 CHADMN C[C@@H](NCCSc1ccc(Cl)cc1)c1cn(C)cn1 ZINC000924571636 1119901271 /nfs/dbraw/zinc/90/12/71/1119901271.db2.gz NXJKMACPZFYPOC-LLVKDONJSA-N 0 1 295.839 3.516 20 0 CHADMN CC[C@H](N[C@H](C)c1noc(-c2ccccc2)n1)[C@@H]1C[C@@H]1C ZINC000414109959 1119902610 /nfs/dbraw/zinc/90/26/10/1119902610.db2.gz LFYBXDSGHXFJSR-MXYBEHONSA-N 0 1 285.391 3.822 20 0 CHADMN COC(=O)c1sccc1CN1CC[C@H](C2CCCC2)C1 ZINC000708822860 1119905995 /nfs/dbraw/zinc/90/59/95/1119905995.db2.gz QRXUXWZNSUYAKG-ZDUSSCGKSA-N 0 1 293.432 3.547 20 0 CHADMN CC[C@@](C)(O)CN[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414128097 1119910359 /nfs/dbraw/zinc/91/03/59/1119910359.db2.gz SXWKQARYHVVTHZ-BLLLJJGKSA-N 0 1 290.432 3.622 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2CCC(F)(F)C2)c(C)s1 ZINC000310358931 1119912147 /nfs/dbraw/zinc/91/21/47/1119912147.db2.gz SUEFWXKKLTZUHT-OIBJUYFYSA-N 0 1 260.353 3.598 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1cc3n(n1)CCC3)CCC2 ZINC000414135059 1119912530 /nfs/dbraw/zinc/91/25/30/1119912530.db2.gz DTQZQCVCASMDNB-KDOFPFPSSA-N 0 1 295.430 3.866 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1csc(C)c1)CCO2 ZINC000295391611 1119914030 /nfs/dbraw/zinc/91/40/30/1119914030.db2.gz LHXIVHDJOXTZLJ-HNNXBMFYSA-N 0 1 289.400 3.679 20 0 CHADMN Cc1ccccc1NC(=O)[C@H](C)N1CCC(C(C)C)CC1 ZINC000173863141 1119917122 /nfs/dbraw/zinc/91/71/22/1119917122.db2.gz LTSWHQBFVHREIA-HNNXBMFYSA-N 0 1 288.435 3.690 20 0 CHADMN CC(C)(C)C1CC[NH+](Cc2ccc(F)c([O-])c2)CC1 ZINC001236703520 1128878063 /nfs/dbraw/zinc/87/80/63/1128878063.db2.gz OLCBORIKNMFLEP-UHFFFAOYSA-N 0 1 265.372 3.789 20 0 CHADMN CCCCCc1cc(C(=O)N(C)C[C@H]2CC=CCC2)n[nH]1 ZINC000613447447 1119927064 /nfs/dbraw/zinc/92/70/64/1119927064.db2.gz JOIRTJPVDGNWHH-AWEZNQCLSA-N 0 1 289.423 3.571 20 0 CHADMN CCC[C@@H](N[C@H](C)c1ccn(C)n1)c1ccc(OC)cc1 ZINC000414192836 1119932609 /nfs/dbraw/zinc/93/26/09/1119932609.db2.gz TVQDMSJOWIXQTH-CXAGYDPISA-N 0 1 287.407 3.621 20 0 CHADMN CCn1ccc(CN[C@@H]2CCC(C)(C)c3ccccc32)n1 ZINC000414200935 1119937364 /nfs/dbraw/zinc/93/73/64/1119937364.db2.gz BJVDADBNUVXEGB-QGZVFWFLSA-N 0 1 283.419 3.805 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000079417927 1119962967 /nfs/dbraw/zinc/96/29/67/1119962967.db2.gz MOYWSTKCWRTAQC-ZDUSSCGKSA-N 0 1 293.382 3.782 20 0 CHADMN Cc1occc1CNCc1ccnc(OC2CCCC2)c1 ZINC000414275786 1119963115 /nfs/dbraw/zinc/96/31/15/1119963115.db2.gz SHJOHWAKDXNJHM-UHFFFAOYSA-N 0 1 286.375 3.594 20 0 CHADMN F[C@@H]1CCCC[C@H]1N[C@H](Cc1ccccn1)c1cccnc1 ZINC000414281160 1119965431 /nfs/dbraw/zinc/96/54/31/1119965431.db2.gz FLQRNCCQGOTPIZ-KZNAEPCWSA-N 0 1 299.393 3.631 20 0 CHADMN c1cc2ncnc(NCc3csc4ccccc34)c2s1 ZINC000613521640 1119966865 /nfs/dbraw/zinc/96/68/65/1119966865.db2.gz HNJOPFUCGUXEMP-UHFFFAOYSA-N 0 1 297.408 3.940 20 0 CHADMN CC(C)[C@@H]1CC[C@@H](N[C@@H](C)c2csnn2)C[C@@H]1C ZINC000414297321 1119970997 /nfs/dbraw/zinc/97/09/97/1119970997.db2.gz HFMLCWAHDFGEQI-RVMXOQNASA-N 0 1 267.442 3.650 20 0 CHADMN Cc1occc1CNCc1ccc(N2CCCCCC2)nc1 ZINC000414319660 1119980867 /nfs/dbraw/zinc/98/08/67/1119980867.db2.gz ZOVYTMZSOBWCBK-UHFFFAOYSA-N 0 1 299.418 3.653 20 0 CHADMN C[C@@H](CCC1CCCC1)NCc1nnc(C2CC2)s1 ZINC000414321081 1119981105 /nfs/dbraw/zinc/98/11/05/1119981105.db2.gz DDZCGRMLCUWFGT-NSHDSACASA-N 0 1 279.453 3.864 20 0 CHADMN CCc1cccc2c1OCC[C@H]2NCc1ccoc1C ZINC000414325688 1119984645 /nfs/dbraw/zinc/98/46/45/1119984645.db2.gz KVHXDIZQOILBEU-MRXNPFEDSA-N 0 1 271.360 3.764 20 0 CHADMN Cc1ccc(CCN[C@H](C)c2csc(C(C)C)n2)cn1 ZINC000186332999 1119985058 /nfs/dbraw/zinc/98/50/58/1119985058.db2.gz IJRQWCDZGQTFBT-CYBMUJFWSA-N 0 1 289.448 3.863 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)no1 ZINC000414330929 1119986545 /nfs/dbraw/zinc/98/65/45/1119986545.db2.gz JPWXKFCUYWSPHQ-YUTCNCBUSA-N 0 1 280.412 3.616 20 0 CHADMN CC(C)C[C@H]1CCN([C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000472590738 1119990243 /nfs/dbraw/zinc/99/02/43/1119990243.db2.gz OBUYDNZKPAGEEQ-HZPDHXFCSA-N 0 1 298.434 3.696 20 0 CHADMN c1coc([C@H]2CN(CCC3CCCCC3)CCO2)c1 ZINC000472590709 1119990512 /nfs/dbraw/zinc/99/05/12/1119990512.db2.gz RGUQGAJPLQYTIR-MRXNPFEDSA-N 0 1 263.381 3.623 20 0 CHADMN CCc1ncc(CNC(C)(C)c2ccc(Cl)cc2)cn1 ZINC000414343766 1119992044 /nfs/dbraw/zinc/99/20/44/1119992044.db2.gz QZAOHVSYVQOCIR-UHFFFAOYSA-N 0 1 289.810 3.717 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(C(C)(C)O)cc1)c1ccns1 ZINC000926775061 1119998747 /nfs/dbraw/zinc/99/87/47/1119998747.db2.gz VJLRFJJCFGTYAU-NWDGAFQWSA-N 0 1 290.432 3.782 20 0 CHADMN Cc1nc[nH]c1C(=O)Nc1c(C)cc(C(F)(F)F)cc1C ZINC000636436910 1120004006 /nfs/dbraw/zinc/00/40/06/1120004006.db2.gz VVZZYBZOCLERBX-UHFFFAOYSA-N 0 1 297.280 3.606 20 0 CHADMN COc1cc([C@H](C)N[C@@H](c2ccc(F)cc2)C(C)C)on1 ZINC000924581171 1120004522 /nfs/dbraw/zinc/00/45/22/1120004522.db2.gz PAFAFQSCJAZERU-MEDUHNTESA-N 0 1 292.354 3.870 20 0 CHADMN Cc1occc1CN1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000414376218 1120005883 /nfs/dbraw/zinc/00/58/83/1120005883.db2.gz ZNXFPKMRPOYILR-UHFFFAOYSA-N 0 1 297.398 3.991 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2c2ccc(C)c(C)c2)nn1 ZINC000414379317 1120009400 /nfs/dbraw/zinc/00/94/00/1120009400.db2.gz INOGLNJYAFJILH-GOSISDBHSA-N 0 1 281.403 3.739 20 0 CHADMN Cc1scc(CN[C@H](C)c2ccc(F)cn2)c1C ZINC000399909053 1120023023 /nfs/dbraw/zinc/02/30/23/1120023023.db2.gz WAPUYLJCOHKEHO-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(C)s2)o1 ZINC000892669323 1120035048 /nfs/dbraw/zinc/03/50/48/1120035048.db2.gz QWPUJWDZTUKFPG-SNVBAGLBSA-N 0 1 251.351 3.509 20 0 CHADMN CC(C)Cc1noc(CN2C[C@@H](c3ccccc3)C[C@H]2C)n1 ZINC000115552412 1120043082 /nfs/dbraw/zinc/04/30/82/1120043082.db2.gz TZAPSAVJHAHJTI-ZBFHGGJFSA-N 0 1 299.418 3.646 20 0 CHADMN Brc1cccc(CN2CCC[C@H]3CCC[C@H]32)n1 ZINC000272451990 1120044545 /nfs/dbraw/zinc/04/45/45/1120044545.db2.gz WEBSYZVMGWDVEM-DGCLKSJQSA-N 0 1 295.224 3.609 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)CC12CCCCC2 ZINC000580202198 1120059436 /nfs/dbraw/zinc/05/94/36/1120059436.db2.gz WJQUZJRCXLPRKN-CYBMUJFWSA-N 0 1 291.391 3.770 20 0 CHADMN CCOc1ccc(CN[C@H]2CCc3cc(F)ccc32)o1 ZINC000892680636 1120063821 /nfs/dbraw/zinc/06/38/21/1120063821.db2.gz QBXIODJDBAWCRK-HNNXBMFYSA-N 0 1 275.323 3.595 20 0 CHADMN C[C@@H](NCc1cc(N(C)C)ccn1)c1csc(Cl)c1 ZINC000903198065 1120077878 /nfs/dbraw/zinc/07/78/78/1120077878.db2.gz FAESWRMBSBYYHT-SNVBAGLBSA-N 0 1 295.839 3.713 20 0 CHADMN Cc1ccnc(NCC2(C(F)(F)F)CCCC2)c1 ZINC000624707249 1120079415 /nfs/dbraw/zinc/07/94/15/1120079415.db2.gz OPSITCAQVOWRJH-UHFFFAOYSA-N 0 1 258.287 3.925 20 0 CHADMN C[C@H](N[C@H]1C[C@H](C)c2ccccc21)c1ccccn1 ZINC000311714115 1120081617 /nfs/dbraw/zinc/08/16/17/1120081617.db2.gz OCGLMXJZGIEEIO-DCGLDWPTSA-N 0 1 252.361 3.981 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cncs2)c(C)c1 ZINC000903311372 1120082162 /nfs/dbraw/zinc/08/21/62/1120082162.db2.gz OUTGCBFIFXKPEQ-NEPJUHHUSA-N 0 1 276.405 3.872 20 0 CHADMN CC1(C)CC[C@H]1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000613589731 1120091217 /nfs/dbraw/zinc/09/12/17/1120091217.db2.gz FCDUQJBGWIOPRT-QMMMGPOBSA-N 0 1 271.719 3.559 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000613590205 1120091292 /nfs/dbraw/zinc/09/12/92/1120091292.db2.gz ICKOFPVGMSSABM-QNSHHTMESA-N 0 1 283.730 3.559 20 0 CHADMN CCCCc1noc(CN2CCCC[C@H]2CCC)n1 ZINC000179521924 1120093466 /nfs/dbraw/zinc/09/34/66/1120093466.db2.gz QTZIDSAOLCJYDR-CYBMUJFWSA-N 0 1 265.401 3.567 20 0 CHADMN CCC[C@H](NCc1oc(C)nc1C)c1ccccc1 ZINC000311860179 1120099290 /nfs/dbraw/zinc/09/92/90/1120099290.db2.gz RKRYGKVCNNBJAG-HNNXBMFYSA-N 0 1 258.365 3.922 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc(O)cc(F)c2)ccc1F ZINC000924594478 1120099501 /nfs/dbraw/zinc/09/95/01/1120099501.db2.gz OUTKFYRDTHYQPZ-LLVKDONJSA-N 0 1 277.314 3.830 20 0 CHADMN CC(C)(C)C[C@@H](O)CN[C@H](c1ccccc1)c1ccccn1 ZINC000180566490 1120100878 /nfs/dbraw/zinc/10/08/78/1120100878.db2.gz PUXXXAXHAZJSFO-SJLPKXTDSA-N 0 1 298.430 3.558 20 0 CHADMN CCC[C@@H](NCc1cnn(C2CCC2)c1)c1ccccn1 ZINC000921685240 1120108659 /nfs/dbraw/zinc/10/86/59/1120108659.db2.gz VZOCSCBHFZVDCO-MRXNPFEDSA-N 0 1 284.407 3.634 20 0 CHADMN CC[C@H]1CCCN1CC(=O)Nc1ccccc1C(C)C ZINC000590061918 1120109094 /nfs/dbraw/zinc/10/90/94/1120109094.db2.gz KPDIXRZUWBMNIW-AWEZNQCLSA-N 0 1 274.408 3.623 20 0 CHADMN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CCC1CCC1 ZINC000659793362 1120110577 /nfs/dbraw/zinc/11/05/77/1120110577.db2.gz RPOJXPKJAJBZIJ-JKSUJKDBSA-N 0 1 279.424 3.532 20 0 CHADMN CCCc1ccc(CNc2ccnc(C)c2F)cc1 ZINC001168635324 1120111235 /nfs/dbraw/zinc/11/12/35/1120111235.db2.gz GSQZPBMMRLSAMW-UHFFFAOYSA-N 0 1 258.340 3.516 20 0 CHADMN CCC[C@@H](C)[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccc(Cl)cc2)C1 ZINC000659797637 1120111929 /nfs/dbraw/zinc/11/19/29/1120111929.db2.gz NJWCYBSNGOQDPI-DFBGVHRSSA-N 0 1 295.810 3.629 20 0 CHADMN Oc1c(F)cccc1-c1cc(C(F)(F)F)ccn1 ZINC000715551386 1120112055 /nfs/dbraw/zinc/11/20/55/1120112055.db2.gz YAPYDZPUAMKOGW-UHFFFAOYSA-N 0 1 257.186 3.612 20 0 CHADMN CCCCC[C@@H]1CCCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000659803062 1120113169 /nfs/dbraw/zinc/11/31/69/1120113169.db2.gz AWOVXVMTTKPFKP-CQSZACIVSA-N 0 1 279.380 3.913 20 0 CHADMN C[N@H+](Cc1cccc(C(=O)[O-])c1)C[C@@H]1CCc2ccccc21 ZINC000659804287 1120114903 /nfs/dbraw/zinc/11/49/03/1120114903.db2.gz WABFYWOOOYMJQF-KRWDZBQOSA-N 0 1 295.382 3.547 20 0 CHADMN C[C@H](NCCc1coc(-c2ccccc2)n1)c1cscn1 ZINC001116435937 1120116956 /nfs/dbraw/zinc/11/69/56/1120116956.db2.gz RKRGKHLETYNADA-LBPRGKRZSA-N 0 1 299.399 3.691 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)N(Cc2cncc(F)c2)C1 ZINC000353240424 1120122185 /nfs/dbraw/zinc/12/21/85/1120122185.db2.gz XXSGGBYOLLORNR-CXAGYDPISA-N 0 1 270.351 3.804 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2ccc(Cl)s2)C[C@H]1O ZINC000542705781 1120122698 /nfs/dbraw/zinc/12/26/98/1120122698.db2.gz GHZJDVVIEBBJKY-NWDGAFQWSA-N 0 1 287.856 3.630 20 0 CHADMN CC1(NCc2cccc(Cl)c2F)CC(F)(F)C1 ZINC000720922090 1120124988 /nfs/dbraw/zinc/12/49/88/1120124988.db2.gz DWOUTYLPWQIGSW-UHFFFAOYSA-N 0 1 263.690 3.757 20 0 CHADMN Cc1noc(C[C@@H](N[C@H](C)c2ccoc2)c2ccccc2)n1 ZINC000580273271 1120125777 /nfs/dbraw/zinc/12/57/77/1120125777.db2.gz YWKJQNALPWZFNM-MLGOLLRUSA-N 0 1 297.358 3.606 20 0 CHADMN CCN(C)Cc1cccc(C(F)(F)F)c1Cl ZINC001205030227 1120130905 /nfs/dbraw/zinc/13/09/05/1120130905.db2.gz DVNKWJPCCUIDGB-UHFFFAOYSA-N 0 1 251.679 3.811 20 0 CHADMN CCOc1ccc(F)c(F)c1CN1C[C@H]2CCC[C@@H]2C1 ZINC001143486161 1120132533 /nfs/dbraw/zinc/13/25/33/1120132533.db2.gz ZDHCHICEFSQYQH-VXGBXAGGSA-N 0 1 281.346 3.595 20 0 CHADMN CSc1cccc(CN2CC[C@@H](C(F)(F)F)C2)c1 ZINC000851876267 1120134753 /nfs/dbraw/zinc/13/47/53/1120134753.db2.gz WICGHSPIZKFHID-LLVKDONJSA-N 0 1 275.339 3.793 20 0 CHADMN Fc1ccc(C2(NCc3ccnn3C3CCC3)CC2)cc1 ZINC000921696719 1120136028 /nfs/dbraw/zinc/13/60/28/1120136028.db2.gz ZJDJZIDJNQCKHT-UHFFFAOYSA-N 0 1 285.366 3.526 20 0 CHADMN CCCCC[C@H](C)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000236637687 1120139081 /nfs/dbraw/zinc/13/90/81/1120139081.db2.gz ZJLVULPGZDHXRR-RYUDHWBXSA-N 0 1 267.417 3.987 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2cc(F)ccc2Cl)C1 ZINC000189011626 1120139576 /nfs/dbraw/zinc/13/95/76/1120139576.db2.gz RUZWCYWDTUFORN-GFCCVEGCSA-N 0 1 285.790 3.728 20 0 CHADMN Brc1ccc(CN2C[C@@H]3CCCC[C@@H]3C2)o1 ZINC000378909280 1120140957 /nfs/dbraw/zinc/14/09/57/1120140957.db2.gz IHYVNRURPICDDV-PHIMTYICSA-N 0 1 284.197 3.664 20 0 CHADMN CCc1ccc(CNc2ccc3c(c2)nc(C)n3C)o1 ZINC000151973657 1120142257 /nfs/dbraw/zinc/14/22/57/1120142257.db2.gz YBQNIXQAYWFWKD-UHFFFAOYSA-N 0 1 269.348 3.649 20 0 CHADMN CC(C)C1CCC(C[N@H+]2CC[C@](C(=O)[O-])(C(C)C)C2)CC1 ZINC000314021094 1120164026 /nfs/dbraw/zinc/16/40/26/1120164026.db2.gz RRKBBIUIFOISSE-LEOMRAHMSA-N 0 1 295.467 3.882 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC[C@@H](C)C1 ZINC000302800439 1120164545 /nfs/dbraw/zinc/16/45/45/1120164545.db2.gz UVKSEKHFHHXPBY-DGCLKSJQSA-N 0 1 294.826 3.707 20 0 CHADMN CCn1cc(CN[C@@H]2CC(C)(C)Cc3oc(C)cc32)cn1 ZINC000112097075 1120167835 /nfs/dbraw/zinc/16/78/35/1120167835.db2.gz VDOHDVSGYBECKW-OAHLLOKOSA-N 0 1 287.407 3.608 20 0 CHADMN CC(C)(C)c1nc(CN(CC2CC2)C2CCCCC2)no1 ZINC000057631203 1120167837 /nfs/dbraw/zinc/16/78/37/1120167837.db2.gz VEEHKCIYKAIFPJ-UHFFFAOYSA-N 0 1 291.439 3.912 20 0 CHADMN Cc1cncc([C@@H](C)NCc2ccnc(OC3CCC3)c2)c1 ZINC000343844002 1120170938 /nfs/dbraw/zinc/17/09/38/1120170938.db2.gz MBBMGGFXNLKFFK-CQSZACIVSA-N 0 1 297.402 3.567 20 0 CHADMN Cn1ccc(CN[C@H](CC(C)(C)C)c2ccccc2)n1 ZINC000112341052 1120176441 /nfs/dbraw/zinc/17/64/41/1120176441.db2.gz BDRKIRNCRXBFGF-MRXNPFEDSA-N 0 1 271.408 3.687 20 0 CHADMN CCCCN(CC(=O)OCC)[C@H](CC)c1ccccc1 ZINC000303572811 1120177831 /nfs/dbraw/zinc/17/78/31/1120177831.db2.gz BYTKXHNLXJVBFJ-MRXNPFEDSA-N 0 1 277.408 3.803 20 0 CHADMN CC(C)(C)C1CCN(Cc2cc(Cl)ccn2)CC1 ZINC000092416593 1120178791 /nfs/dbraw/zinc/17/87/91/1120178791.db2.gz VFZFPAGTZCEMOW-UHFFFAOYSA-N 0 1 266.816 3.993 20 0 CHADMN Cc1cccc(C(C)(C)NC(=O)c2n[nH]c3ccccc32)c1 ZINC000303773679 1120182617 /nfs/dbraw/zinc/18/26/17/1120182617.db2.gz NHHRSSFTFMBCTC-UHFFFAOYSA-N 0 1 293.370 3.536 20 0 CHADMN CC[C@@](C)(NCc1ccnc(OC)c1F)c1ccccc1 ZINC000892973919 1120185330 /nfs/dbraw/zinc/18/53/30/1120185330.db2.gz YNAZOBDXZSJCPC-QGZVFWFLSA-N 0 1 288.366 3.644 20 0 CHADMN CCCc1nc(C)c(C[N@H+]2CCCc3sccc3C2)o1 ZINC000644668201 1120199672 /nfs/dbraw/zinc/19/96/72/1120199672.db2.gz AJBIAYLOSKSLRZ-UHFFFAOYSA-N 0 1 290.432 3.945 20 0 CHADMN CCCc1nc(C)c(CN2CCCc3sccc3C2)o1 ZINC000644668201 1120199674 /nfs/dbraw/zinc/19/96/74/1120199674.db2.gz AJBIAYLOSKSLRZ-UHFFFAOYSA-N 0 1 290.432 3.945 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccsc2)c1F ZINC000165846657 1120204202 /nfs/dbraw/zinc/20/42/02/1120204202.db2.gz PGGFZRLIGJDFTD-JTQLQIEISA-N 0 1 265.353 3.747 20 0 CHADMN CCCN(Cc1ccc(F)cc1)Cc1cc(C)nc(C)n1 ZINC000659860072 1120204511 /nfs/dbraw/zinc/20/45/11/1120204511.db2.gz RZRZILXMTSLWDS-UHFFFAOYSA-N 0 1 287.382 3.645 20 0 CHADMN COc1ccc([C@H](C)NCc2cccc(OC)c2F)cc1 ZINC000165873558 1120204545 /nfs/dbraw/zinc/20/45/45/1120204545.db2.gz YVTRKBZPYDIIDG-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN c1cn(C2CCCC2)nc1CN1CCC(C2CC2)CC1 ZINC000644719159 1120205598 /nfs/dbraw/zinc/20/55/98/1120205598.db2.gz OHHGAENFMWCEHR-UHFFFAOYSA-N 0 1 273.424 3.620 20 0 CHADMN C[C@@H](c1ccccc1Cl)N1CCC[C@@H](n2cccn2)C1 ZINC000338724034 1120213796 /nfs/dbraw/zinc/21/37/96/1120213796.db2.gz GREKJWLOVAUTNX-UONOGXRCSA-N 0 1 289.810 3.935 20 0 CHADMN CCOC(=O)CCCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000338727735 1120216825 /nfs/dbraw/zinc/21/68/25/1120216825.db2.gz CRPGUJRIMNVCSY-OAHLLOKOSA-N 0 1 295.810 3.820 20 0 CHADMN CCc1noc(C)c1CNc1cc(C)nc2ccc(F)cc21 ZINC000338728048 1120217306 /nfs/dbraw/zinc/21/73/06/1120217306.db2.gz GTCYDDBNPHXTML-UHFFFAOYSA-N 0 1 299.349 3.575 20 0 CHADMN CCOC(=O)CCCN(CC)Cc1ccccc1Cl ZINC000338729104 1120218872 /nfs/dbraw/zinc/21/88/72/1120218872.db2.gz YYDNAVABSKBOCP-UHFFFAOYSA-N 0 1 283.799 3.505 20 0 CHADMN COC(=O)c1coc(CN([C@@H](C)c2ccccc2)C2CC2)c1 ZINC000338734184 1120224988 /nfs/dbraw/zinc/22/49/88/1120224988.db2.gz ACCXXYBMISRUSA-ZDUSSCGKSA-N 0 1 299.370 3.792 20 0 CHADMN C[C@@H]1[C@H](C)N(C)CCN1Cc1cc(Cl)sc1Cl ZINC001168675636 1120228697 /nfs/dbraw/zinc/22/86/97/1120228697.db2.gz DXICZOMGIXBSPF-DTWKUNHWSA-N 0 1 293.263 3.579 20 0 CHADMN CCOc1ccccc1CN1CC(c2ccccc2F)C1 ZINC000463031174 1120232853 /nfs/dbraw/zinc/23/28/53/1120232853.db2.gz DTJUGOKIUFGJKJ-UHFFFAOYSA-N 0 1 285.362 3.824 20 0 CHADMN CC(C)Cc1ccc(-c2nc([C@H](N)C(C)C)no2)cc1 ZINC000843147804 1120234545 /nfs/dbraw/zinc/23/45/45/1120234545.db2.gz GMYQXZKYZKBNQK-CQSZACIVSA-N 0 1 273.380 3.591 20 0 CHADMN CS[C@@H]1CCC[C@H](NCc2nnc(C(C)(C)C)s2)C1 ZINC000921840213 1120236171 /nfs/dbraw/zinc/23/61/71/1120236171.db2.gz ZADFTBPAYAEMQC-WDEREUQCSA-N 0 1 299.509 3.599 20 0 CHADMN CC(C)c1cc(N[C@@H](C)C(C)(C)C)nc(N(C)C)n1 ZINC001168683829 1120243492 /nfs/dbraw/zinc/24/34/92/1120243492.db2.gz WSDAXCWCIPOCSB-NSHDSACASA-N 0 1 264.417 3.513 20 0 CHADMN Cc1nc([C@@H](C)N[C@H]2Cc3cccc(Cl)c3C2)cs1 ZINC001168683794 1120243505 /nfs/dbraw/zinc/24/35/05/1120243505.db2.gz AAQMYFBQGYSQTM-SKDRFNHKSA-N 0 1 292.835 3.923 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2cc3c(s2)CC[C@H](C)C3)n1 ZINC000843148088 1120243780 /nfs/dbraw/zinc/24/37/80/1120243780.db2.gz MJGSDKHITNNOEX-TVQRCGJNSA-N 0 1 291.420 3.579 20 0 CHADMN Cc1nc([C@H](C)N[C@H]2Cc3cccc(Cl)c3C2)cs1 ZINC001168683790 1120243800 /nfs/dbraw/zinc/24/38/00/1120243800.db2.gz AAQMYFBQGYSQTM-CABZTGNLSA-N 0 1 292.835 3.923 20 0 CHADMN CC(C)[C@H](N)c1noc([C@H](C)CCc2ccccc2F)n1 ZINC000843149225 1120253731 /nfs/dbraw/zinc/25/37/31/1120253731.db2.gz JZVXCTLCUKGAPG-RISCZKNCSA-N 0 1 291.370 3.601 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](C)c2cccc(O)c2)s1 ZINC000677755936 1120255937 /nfs/dbraw/zinc/25/59/37/1120255937.db2.gz ZOJMTKDVEXXUOW-VHSXEESVSA-N 0 1 262.378 3.569 20 0 CHADMN COC1(CN[C@@H](c2ccc(C)cc2)c2ccccn2)CCC1 ZINC000450887744 1120258826 /nfs/dbraw/zinc/25/88/26/1120258826.db2.gz JPKQUTFHKSDRSE-SFHVURJKSA-N 0 1 296.414 3.638 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](c2cccnc2)C2CC2)cc1O ZINC000584559499 1120267740 /nfs/dbraw/zinc/26/77/40/1120267740.db2.gz TWWBBXPXBTWORP-KZULUSFZSA-N 0 1 298.386 3.598 20 0 CHADMN Cc1ccc(NC(=O)C[N@H+](C)C2CCCCC2)c(C)c1 ZINC000007786590 1120268283 /nfs/dbraw/zinc/26/82/83/1120268283.db2.gz KLGSAEHYIUZNGY-UHFFFAOYSA-N 0 1 274.408 3.506 20 0 CHADMN CC[C@@H](C)C[C@@H](C)Nc1cnccc1/C=C/N(C)C ZINC001168693061 1120270349 /nfs/dbraw/zinc/27/03/49/1120270349.db2.gz KJDHGENCCOIRKG-CJDRZLIDSA-N 0 1 261.413 3.851 20 0 CHADMN CC(C)CCN1Cc2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2C1 ZINC000076171345 1120278211 /nfs/dbraw/zinc/27/82/11/1120278211.db2.gz HNNVVCPYKAGELX-DZGCQCFKSA-N 0 1 286.419 3.643 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3ccc(Cl)cc32)ncn1 ZINC000678604496 1120280283 /nfs/dbraw/zinc/28/02/83/1120280283.db2.gz HFSZRBJDMMIVRM-INIZCTEOSA-N 0 1 287.794 3.606 20 0 CHADMN FC(F)(F)c1nc(CNCC2(C3CC3)CCC2)cs1 ZINC000893184429 1120285857 /nfs/dbraw/zinc/28/58/57/1120285857.db2.gz UDBQRJAVGBLLSP-UHFFFAOYSA-N 0 1 290.354 3.832 20 0 CHADMN Cc1cc(CN(Cc2ccc(F)cc2)CC2CC2)nc(C)n1 ZINC000659932149 1120293473 /nfs/dbraw/zinc/29/34/73/1120293473.db2.gz AVCAUGIMOBGAMH-UHFFFAOYSA-N 0 1 299.393 3.645 20 0 CHADMN CCc1cnc(CN(C)C[C@H](CC)CC(F)F)s1 ZINC000659982556 1120322833 /nfs/dbraw/zinc/32/28/33/1120322833.db2.gz QOBQGEHRJFZXLW-SNVBAGLBSA-N 0 1 276.396 3.819 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000651357540 1120304400 /nfs/dbraw/zinc/30/44/00/1120304400.db2.gz NNMVLWMPRJKILP-FVMDXXJSSA-N 0 1 291.345 3.725 20 0 CHADMN Clc1ncsc1CN1CC[C@H](Cc2ccccc2)C1 ZINC001137822630 1120311022 /nfs/dbraw/zinc/31/10/22/1120311022.db2.gz FYVVEQPZOPOPPA-CYBMUJFWSA-N 0 1 292.835 3.861 20 0 CHADMN CN(Cc1cccs1)Cc1cccc(OC(F)F)c1 ZINC000064992359 1120311822 /nfs/dbraw/zinc/31/18/22/1120311822.db2.gz MGIMGVKUAIKJSV-UHFFFAOYSA-N 0 1 283.343 3.982 20 0 CHADMN Cc1oc(C)c(C(=O)Nc2cc(Cl)c(O)cc2F)c1C ZINC000672485493 1120313794 /nfs/dbraw/zinc/31/37/94/1120313794.db2.gz USMKFUHNSWERMZ-UHFFFAOYSA-N 0 1 297.713 3.955 20 0 CHADMN C[C@H](C(=O)Nc1cc(Cl)c(O)cc1F)c1ccco1 ZINC000672485841 1120314096 /nfs/dbraw/zinc/31/40/96/1120314096.db2.gz SQFCJWMNGPTWFD-ZETCQYMHSA-N 0 1 283.686 3.520 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2cc(C)nc(C)n2)o1 ZINC000659969819 1120316081 /nfs/dbraw/zinc/31/60/81/1120316081.db2.gz GULZOCAKNHEULT-SJCJKPOMSA-N 0 1 299.418 3.968 20 0 CHADMN COc1ccccc1[C@H]1CCCC[N@H+]1CCOC1CCC1 ZINC000672543186 1120322538 /nfs/dbraw/zinc/32/25/38/1120322538.db2.gz NCUNFWPHXAXCTD-QGZVFWFLSA-N 0 1 289.419 3.791 20 0 CHADMN CCC[C@H](C)CCC[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000629360351 1128908029 /nfs/dbraw/zinc/90/80/29/1128908029.db2.gz REPAXLKTEGMIEK-HNNXBMFYSA-N 0 1 277.408 3.790 20 0 CHADMN CC[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000182682180 1120325440 /nfs/dbraw/zinc/32/54/40/1120325440.db2.gz ACQDGGGKJUFYTJ-CYBMUJFWSA-N 0 1 290.798 3.576 20 0 CHADMN COc1ccc(CN[C@H](c2ccc(F)c(C)c2)C2CC2)o1 ZINC000893240821 1120329235 /nfs/dbraw/zinc/32/92/35/1120329235.db2.gz ZEWBHUXOKHRLBX-KRWDZBQOSA-N 0 1 289.350 3.977 20 0 CHADMN Cc1nc(CN2CCC[C@@]3(CCCc4ccccc43)C2)co1 ZINC000659995376 1120330493 /nfs/dbraw/zinc/33/04/93/1120330493.db2.gz ZQJQDIUTORYQKE-IBGZPJMESA-N 0 1 296.414 3.853 20 0 CHADMN CC[C@@H]1CC[C@H]1NCc1c(F)c(F)cc(F)c1F ZINC000672605868 1120332850 /nfs/dbraw/zinc/33/28/50/1120332850.db2.gz YASQKYGEEAIJGN-RDDDGLTNSA-N 0 1 261.262 3.521 20 0 CHADMN FC(F)C1CCC(N[C@H]2CCCC2(F)F)CC1 ZINC000672621454 1120335105 /nfs/dbraw/zinc/33/51/05/1120335105.db2.gz YADVOWCXZSDQIM-RTBKNWGFSA-N 0 1 253.283 3.588 20 0 CHADMN C[C@H](c1ccccc1)N1CC[C@H](N[C@H]2CCCC2(F)F)C1 ZINC000672622239 1120335912 /nfs/dbraw/zinc/33/59/12/1120335912.db2.gz DJTASVCARFRAOI-KBMXLJTQSA-N 0 1 294.389 3.599 20 0 CHADMN CC[C@@H](Cc1cccs1)N[C@H]1CCCC1(F)F ZINC000672622633 1120337231 /nfs/dbraw/zinc/33/72/31/1120337231.db2.gz ONBMMDHFGZWJHI-JQWIXIFHSA-N 0 1 259.365 3.847 20 0 CHADMN COCCCSc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000077433855 1120337297 /nfs/dbraw/zinc/33/72/97/1120337297.db2.gz YFBCYUOQYQDEFN-UHFFFAOYSA-N 0 1 290.310 3.710 20 0 CHADMN Cc1cc(CN[C@@H]2CCOc3c(Cl)cccc32)ccn1 ZINC000651389010 1120341240 /nfs/dbraw/zinc/34/12/40/1120341240.db2.gz NKNJHCCIOUQWEU-OAHLLOKOSA-N 0 1 288.778 3.657 20 0 CHADMN C[C@@H](O)C[C@H]1CCCCN1Cc1cccc(Cl)c1F ZINC000228437965 1120345914 /nfs/dbraw/zinc/34/59/14/1120345914.db2.gz JBNAPQHMOBUBEK-DGCLKSJQSA-N 0 1 285.790 3.605 20 0 CHADMN Cc1nc(CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)co1 ZINC000660040339 1120350809 /nfs/dbraw/zinc/35/08/09/1120350809.db2.gz CQOKBTDAIBXJPI-OAHLLOKOSA-N 0 1 295.386 3.844 20 0 CHADMN C[C@@H](NC1CSC1)c1nc(-c2ccccc2)cs1 ZINC000679627748 1120351059 /nfs/dbraw/zinc/35/10/59/1120351059.db2.gz VXLRJJOSQOKHMK-SNVBAGLBSA-N 0 1 276.430 3.576 20 0 CHADMN CC[C@H](C)N(C)Cc1ncc(Br)cc1Cl ZINC000660063249 1120357661 /nfs/dbraw/zinc/35/76/61/1120357661.db2.gz KMCXHEHQVFLNDI-QMMMGPOBSA-N 0 1 291.620 3.728 20 0 CHADMN C[C@H]([NH2+]Cc1ccc(Cl)nc1)c1cc(Cl)ccc1[O-] ZINC000185073953 1120370763 /nfs/dbraw/zinc/37/07/63/1120370763.db2.gz RHZKEMZXIINHCX-VIFPVBQESA-N 0 1 297.185 3.945 20 0 CHADMN CCCCCCN[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000185395162 1120376139 /nfs/dbraw/zinc/37/61/39/1120376139.db2.gz YNUJFKLPMDXGJM-CQSZACIVSA-N 0 1 287.407 3.891 20 0 CHADMN CSc1cccc(CN2CCc3ccccc3[C@H]2CO)c1 ZINC000660100991 1120377037 /nfs/dbraw/zinc/37/70/37/1120377037.db2.gz DAXSLIAPQBKFBL-GOSISDBHSA-N 0 1 299.439 3.500 20 0 CHADMN C[C@H](C[C@@H]1CCOC1)N[C@H](CCc1ccccc1)C(F)F ZINC000779406352 1128912438 /nfs/dbraw/zinc/91/24/38/1128912438.db2.gz IWNMDFONTYXMLP-VNQPRFMTSA-N 0 1 297.389 3.658 20 0 CHADMN CCCc1noc(CN2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000066155980 1120378837 /nfs/dbraw/zinc/37/88/37/1120378837.db2.gz CWQLFFHVDNRNPV-MRXNPFEDSA-N 0 1 299.418 3.619 20 0 CHADMN COc1ccc(CN[C@@H]2c3ccccc3O[C@@H]2C)c(C)c1 ZINC000922134684 1120379376 /nfs/dbraw/zinc/37/93/76/1120379376.db2.gz QWTYYYNRMIPIHR-ACJLOTCBSA-N 0 1 283.371 3.615 20 0 CHADMN Cc1cccc2nc(CNc3ncc(Cl)s3)[nH]c21 ZINC000680899772 1120381750 /nfs/dbraw/zinc/38/17/50/1120381750.db2.gz WGTFQEWFBZDODY-UHFFFAOYSA-N 0 1 278.768 3.593 20 0 CHADMN CC[C@H](CSc1nc(C)c(-c2ccccc2)[nH]1)OC ZINC000416902018 1120382461 /nfs/dbraw/zinc/38/24/61/1120382461.db2.gz CUVOKCSPWKDMFC-CYBMUJFWSA-N 0 1 276.405 3.902 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1[C@H](C)CCC[C@H]1C ZINC000009997588 1120391116 /nfs/dbraw/zinc/39/11/16/1120391116.db2.gz VQMCOTFBWDEGKC-CHWSQXEVSA-N 0 1 294.826 3.850 20 0 CHADMN CC(C)[C@@H]1C[C@@H](CNCc2nc(C(C)(C)C)co2)CCO1 ZINC000922158929 1120395980 /nfs/dbraw/zinc/39/59/80/1120395980.db2.gz NRSARMXLVYWYPK-KBPBESRZSA-N 0 1 294.439 3.513 20 0 CHADMN CN(Cc1cn(C(C)(C)C)nn1)C1CCCCCCC1 ZINC000191294923 1128913796 /nfs/dbraw/zinc/91/37/96/1128913796.db2.gz OMOLZCUNNPECJW-UHFFFAOYSA-N 0 1 278.444 3.578 20 0 CHADMN CCCOc1ccc(CN[C@@H](C)c2c(C)noc2C)cc1 ZINC000078679722 1120399382 /nfs/dbraw/zinc/39/93/82/1120399382.db2.gz KBHUTQGHZNMOQX-LBPRGKRZSA-N 0 1 288.391 3.931 20 0 CHADMN CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)c1ccn[nH]1 ZINC000066546098 1120400466 /nfs/dbraw/zinc/40/04/66/1120400466.db2.gz QOYBUDZJOLJPMW-INIZCTEOSA-N 0 1 299.418 3.673 20 0 CHADMN Cc1ccc(CN(C[C@H]2CCC(C)(C)O2)C2CC2)o1 ZINC000681398160 1120400550 /nfs/dbraw/zinc/40/05/50/1120400550.db2.gz DHUWNHKMPVSMOY-OAHLLOKOSA-N 0 1 263.381 3.510 20 0 CHADMN Fc1ccc([C@H]2CN([C@H]3CCc4ccccc43)CCO2)cc1 ZINC000681668667 1120403778 /nfs/dbraw/zinc/40/37/78/1120403778.db2.gz SDUJZYIQUDFWHT-RBUKOAKNSA-N 0 1 297.373 3.887 20 0 CHADMN CCN(C(=O)c1cccc2c[nH]nc21)[C@H]1CCCC[C@@H]1C ZINC000066674896 1120405315 /nfs/dbraw/zinc/40/53/15/1120405315.db2.gz DAKFFXABABLLKD-WFASDCNBSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1cnccc1CCN(C)Cc1nc2ccccc2s1 ZINC000563061122 1120410896 /nfs/dbraw/zinc/41/08/96/1120410896.db2.gz XKSQPPBTXMYHFT-UHFFFAOYSA-N 0 1 297.427 3.674 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CCCC[C@H]1C ZINC000066828432 1120413986 /nfs/dbraw/zinc/41/39/86/1120413986.db2.gz PHKHVYMARHBXKF-GFCCVEGCSA-N 0 1 275.371 3.570 20 0 CHADMN CC[C@@H](NCc1cc(C2CC2)no1)c1ccc(OC)cc1 ZINC000660174682 1120415576 /nfs/dbraw/zinc/41/55/76/1120415576.db2.gz PLBBGSHBNRCUBY-MRXNPFEDSA-N 0 1 286.375 3.802 20 0 CHADMN COc1ccc2oc(CN(C)Cc3ccc(C)cn3)cc2c1 ZINC000682788299 1120426326 /nfs/dbraw/zinc/42/63/26/1120426326.db2.gz UVTBSHGOJJUTPS-UHFFFAOYSA-N 0 1 296.370 3.777 20 0 CHADMN COc1cccc(F)c1[C@H](C)NC[C@@H](CC(C)C)OC ZINC000417326779 1120427587 /nfs/dbraw/zinc/42/75/87/1120427587.db2.gz BBMFQJIDYZAZLQ-QWHCGFSZSA-N 0 1 283.387 3.546 20 0 CHADMN Cc1nnc([C@H](C)N[C@H](C)[C@@H]2C[C@H]2c2cccs2)s1 ZINC000417348172 1120430964 /nfs/dbraw/zinc/43/09/64/1120430964.db2.gz XQPKFCORVVYVRJ-LLHIFLOGSA-N 0 1 293.461 3.751 20 0 CHADMN Cc1ccnc(CN(Cc2ccccc2C)C2CC2)c1 ZINC000683004783 1120432038 /nfs/dbraw/zinc/43/20/38/1120432038.db2.gz PGUSLCOUQLLSBZ-UHFFFAOYSA-N 0 1 266.388 3.863 20 0 CHADMN c1ccc2c(c1)COC[C@H]2N[C@H]1CCCOc2ccccc21 ZINC000417358010 1120435502 /nfs/dbraw/zinc/43/55/02/1120435502.db2.gz HAEBBZLQMONPHA-ZWKOTPCHSA-N 0 1 295.382 3.761 20 0 CHADMN c1ccc2c(c1)COC[C@@H]2N[C@H]1CCCNc2ccccc21 ZINC000417373435 1120439780 /nfs/dbraw/zinc/43/97/80/1120439780.db2.gz YBEOZDIXORDAME-OALUTQOASA-N 0 1 294.398 3.795 20 0 CHADMN c1ccc2c(c1)COC[C@H]2N[C@H]1CCCNc2ccccc21 ZINC000417373436 1120439968 /nfs/dbraw/zinc/43/99/68/1120439968.db2.gz YBEOZDIXORDAME-RBUKOAKNSA-N 0 1 294.398 3.795 20 0 CHADMN CCc1ncc(CNC2(c3ccc(C)cc3)CCC2)o1 ZINC000930825787 1120440472 /nfs/dbraw/zinc/44/04/72/1120440472.db2.gz MOWHXSJUEPNONH-UHFFFAOYSA-N 0 1 270.376 3.714 20 0 CHADMN c1nn(CC2CCC2)cc1CNc1ccc2cnccc2c1 ZINC000922171167 1120444115 /nfs/dbraw/zinc/44/41/15/1120444115.db2.gz ISSYDOMZQXSIIZ-UHFFFAOYSA-N 0 1 292.386 3.844 20 0 CHADMN CC1=C(C)C[C@@H](C(=O)Nc2ccc(F)c(F)c2O)CC1 ZINC000584782555 1120445230 /nfs/dbraw/zinc/44/52/30/1120445230.db2.gz ZXRCMGPIMDCMAP-JTQLQIEISA-N 0 1 281.302 3.745 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCO[C@@H](Cc2ccccc2)C1 ZINC000660215252 1120447321 /nfs/dbraw/zinc/44/73/21/1120447321.db2.gz OQZHQFOJYMHHNH-HOCLYGCPSA-N 0 1 297.389 3.611 20 0 CHADMN Cc1nc(CN2C[C@H](C)CC(C)(C)C2)nc2ccccc12 ZINC000543178787 1120452449 /nfs/dbraw/zinc/45/24/49/1120452449.db2.gz IQQJZHJKHQJJDM-CYBMUJFWSA-N 0 1 283.419 3.806 20 0 CHADMN Cc1nc(CN2C[C@@H](C)CC(C)(C)C2)nc2ccccc12 ZINC000543178788 1120453380 /nfs/dbraw/zinc/45/33/80/1120453380.db2.gz IQQJZHJKHQJJDM-ZDUSSCGKSA-N 0 1 283.419 3.806 20 0 CHADMN Cc1ccc(C)c(NC(=O)C[N@@H+]2C[C@H](C)CC(C)(C)C2)c1 ZINC000543181052 1120454513 /nfs/dbraw/zinc/45/45/13/1120454513.db2.gz ILDAJGZORYBMBC-CQSZACIVSA-N 0 1 288.435 3.610 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN2C[C@H](C)CC(C)(C)C2)c1 ZINC000543181052 1120454514 /nfs/dbraw/zinc/45/45/14/1120454514.db2.gz ILDAJGZORYBMBC-CQSZACIVSA-N 0 1 288.435 3.610 20 0 CHADMN FC1(F)C[C@@]12CC[N@@H+](Cc1cnc(-c3ccccc3)o1)C2 ZINC000930866294 1120455499 /nfs/dbraw/zinc/45/54/99/1120455499.db2.gz JLVZEISYLSJZGE-OAHLLOKOSA-N 0 1 290.313 3.573 20 0 CHADMN CCC[C@@H](C)C[C@@H]([NH2+]Cc1ncc(C(C)C)s1)C(=O)[O-] ZINC000417558057 1120457450 /nfs/dbraw/zinc/45/74/50/1120457450.db2.gz DPEGVRFAUMVEKJ-VXGBXAGGSA-N 0 1 298.452 3.636 20 0 CHADMN Cn1cccc1[C@H]1CCC[N@H+]1CCc1cccc(F)c1F ZINC000543208534 1120464399 /nfs/dbraw/zinc/46/43/99/1120464399.db2.gz GOQHAYJJLPNKQC-MRXNPFEDSA-N 0 1 290.357 3.683 20 0 CHADMN CCCC[N@@H+](CC)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000584844585 1120464554 /nfs/dbraw/zinc/46/45/54/1120464554.db2.gz FFIIYGBBUYUIFV-ZDUSSCGKSA-N 0 1 269.772 3.588 20 0 CHADMN CCc1noc(C)c1CNCc1cc2c(cccc2C)[nH]1 ZINC000657475112 1120466529 /nfs/dbraw/zinc/46/65/29/1120466529.db2.gz JQAOHVDIGOFVEX-UHFFFAOYSA-N 0 1 283.375 3.625 20 0 CHADMN COc1ccc(CN2CCCC[C@H]2c2ccccc2)cn1 ZINC000358041427 1120466956 /nfs/dbraw/zinc/46/69/56/1120466956.db2.gz SRQYWLDUOYCHNL-KRWDZBQOSA-N 0 1 282.387 3.817 20 0 CHADMN Cc1nnc([C@@H](C)NC[C@@H]2CC[C@@H](c3ccccc3)C2)o1 ZINC000660272916 1120478267 /nfs/dbraw/zinc/47/82/67/1120478267.db2.gz SBMJAZHVCHNZIB-XNRPHZJLSA-N 0 1 285.391 3.613 20 0 CHADMN COc1cccc(CN2CC[C@@H](C)C(F)(F)CC2)c1F ZINC001141218368 1120481542 /nfs/dbraw/zinc/48/15/42/1120481542.db2.gz MNCIZTAPUZLZHU-LLVKDONJSA-N 0 1 287.325 3.702 20 0 CHADMN CCn1cncc1CN1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000417805245 1120481732 /nfs/dbraw/zinc/48/17/32/1120481732.db2.gz DEHADGXFRUNRLI-GUYCJALGSA-N 0 1 287.382 3.625 20 0 CHADMN CCn1cncc1CN1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000417805244 1120482166 /nfs/dbraw/zinc/48/21/66/1120482166.db2.gz DEHADGXFRUNRLI-DYVFJYSZSA-N 0 1 287.382 3.625 20 0 CHADMN Cc1ccnc(NCc2ccnn2C2CCC2)c1C1CC1 ZINC000922245276 1120482400 /nfs/dbraw/zinc/48/24/00/1120482400.db2.gz LFBGBKXBCMNTDI-UHFFFAOYSA-N 0 1 282.391 3.801 20 0 CHADMN COc1cccc(-c2nc3ccc(C)cc3[nH]2)c1F ZINC000397451653 1120487706 /nfs/dbraw/zinc/48/77/06/1120487706.db2.gz NXDNSUQSZAGBKK-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CCc1ccccc1CN1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001141224044 1120489354 /nfs/dbraw/zinc/48/93/54/1120489354.db2.gz AFOSOMQTWNBHLK-IAGOWNOFSA-N 0 1 271.404 3.583 20 0 CHADMN Cc1cc(CNCc2ccc(F)c(Cl)c2)c(C)o1 ZINC000162519177 1120491078 /nfs/dbraw/zinc/49/10/78/1120491078.db2.gz WPIGOZWAGQUPSE-UHFFFAOYSA-N 0 1 267.731 3.979 20 0 CHADMN Cc1cncc([C@H](C)N[C@@H]2CCCc3cnn(C(C)C)c32)c1 ZINC000364174874 1120495259 /nfs/dbraw/zinc/49/52/59/1120495259.db2.gz MSORBBAUWSJANA-WMLDXEAASA-N 0 1 298.434 3.896 20 0 CHADMN CCCCc1noc([C@@H](C)N(CC)CCC2CC2)n1 ZINC000545519106 1120497477 /nfs/dbraw/zinc/49/74/77/1120497477.db2.gz UWMJKFVBCVHFOQ-GFCCVEGCSA-N 0 1 265.401 3.595 20 0 CHADMN [O-]c1cccc2c(NCCC3(F)CCC3)cc[nH+]c12 ZINC000673462197 1120498501 /nfs/dbraw/zinc/49/85/01/1120498501.db2.gz XYGCFCFLQSHWFT-UHFFFAOYSA-N 0 1 260.312 3.635 20 0 CHADMN Cc1scc(CNCc2cnn(CC3CCC3)c2)c1C ZINC000922301375 1120504250 /nfs/dbraw/zinc/50/42/50/1120504250.db2.gz BLECCRGPNOVEMU-UHFFFAOYSA-N 0 1 289.448 3.651 20 0 CHADMN CCn1cncc1CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000418067886 1120513172 /nfs/dbraw/zinc/51/31/72/1120513172.db2.gz PSTLTCBRJNCNIQ-AWEZNQCLSA-N 0 1 289.810 3.546 20 0 CHADMN CC(C)(C)c1coc(CNCC2(CC3CC3)CC2)n1 ZINC000922329998 1120514199 /nfs/dbraw/zinc/51/41/99/1120514199.db2.gz JJJMNSMLKCUHDS-UHFFFAOYSA-N 0 1 262.397 3.642 20 0 CHADMN [O-]c1cccc2c(NC[C@@H]3COc4ccccc43)cc[nH+]c12 ZINC000673510609 1120517559 /nfs/dbraw/zinc/51/75/59/1120517559.db2.gz OGWPIIKDWVEUFK-GFCCVEGCSA-N 0 1 292.338 3.529 20 0 CHADMN CC(C)(C)Oc1ccnc(NC2(C3CCOCC3)CC2)c1 ZINC001167748987 1120528840 /nfs/dbraw/zinc/52/88/40/1120528840.db2.gz VATXSJADVVNGAS-UHFFFAOYSA-N 0 1 290.407 3.630 20 0 CHADMN O=C(Nc1ccc(F)c(F)c1)c1ccc(O)c(Cl)c1 ZINC000019839267 1120529357 /nfs/dbraw/zinc/52/93/57/1120529357.db2.gz FMWGLJQCLGIKTK-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN CN(Cc1ccncc1)Cc1cccc(C(F)(F)F)c1 ZINC000172979736 1120529548 /nfs/dbraw/zinc/52/95/48/1120529548.db2.gz SFTWXNXHWDARCH-UHFFFAOYSA-N 0 1 280.293 3.732 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000086756817 1120536182 /nfs/dbraw/zinc/53/61/82/1120536182.db2.gz YPUOIYDNIMNRQK-DOMZBBRYSA-N 0 1 295.810 3.978 20 0 CHADMN COc1ccc(CC[C@@H](C)N[C@H]2CCCC2(F)F)cc1 ZINC000398001371 1120549377 /nfs/dbraw/zinc/54/93/77/1120549377.db2.gz WGWLUQBEEHCYAW-DOMZBBRYSA-N 0 1 283.362 3.794 20 0 CHADMN Cc1[nH]ncc1CNc1ccccc1COC(C)(C)C ZINC000922552254 1120549733 /nfs/dbraw/zinc/54/97/33/1120549733.db2.gz YDTKAQCZDAASAG-UHFFFAOYSA-N 0 1 273.380 3.645 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1ccc(F)cc1 ZINC000019943951 1120551953 /nfs/dbraw/zinc/55/19/53/1120551953.db2.gz UPKQSKSTBTVWCD-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN COc1ccc(OC)c([C@@H](C)NCc2ccc(C)cc2)c1 ZINC000019962528 1120553795 /nfs/dbraw/zinc/55/37/95/1120553795.db2.gz XOYYUFUSSZZARD-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN c1c2ccccc2[nH]c1CN[C@H](c1ccccn1)C1CC1 ZINC000922584360 1120554528 /nfs/dbraw/zinc/55/45/28/1120554528.db2.gz IRKPXFDQRIVGOH-SFHVURJKSA-N 0 1 277.371 3.804 20 0 CHADMN CC(C)C[C@@H](C)COc1ccccc1-c1nnc[nH]1 ZINC000499981874 1120569740 /nfs/dbraw/zinc/56/97/40/1120569740.db2.gz VIPWKHAOMPBYHG-GFCCVEGCSA-N 0 1 259.353 3.533 20 0 CHADMN CC(C)(/C=C/Cl)NCc1ccc(C(F)F)nc1 ZINC000922645300 1120570164 /nfs/dbraw/zinc/57/01/64/1120570164.db2.gz PQWNELJVUYPXMV-AATRIKPKSA-N 0 1 260.715 3.640 20 0 CHADMN CC(C)(/C=C/Cl)[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000922649811 1120572158 /nfs/dbraw/zinc/57/21/58/1120572158.db2.gz YNIWYVJCUQKZOB-CMDGGOBGSA-N 0 1 275.783 3.697 20 0 CHADMN Cc1cc(CNC(C)(C)/C=C/Cl)cnc1Cl ZINC000922648433 1120572172 /nfs/dbraw/zinc/57/21/72/1120572172.db2.gz JHRZWPJNPOPNTM-SNAWJCMRSA-N 0 1 259.180 3.664 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1cncc(F)c1 ZINC000922670800 1120576853 /nfs/dbraw/zinc/57/68/53/1120576853.db2.gz VFNDPWRBTVDBLQ-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1ccc2c(n1)CCC2 ZINC000922670742 1120576859 /nfs/dbraw/zinc/57/68/59/1120576859.db2.gz UHJMQEODMHZYRY-ZDUSSCGKSA-N 0 1 284.378 3.869 20 0 CHADMN CCCCc1noc([C@@H](C)N[C@@H](CCOC)C(C)(C)C)n1 ZINC000508996233 1120580612 /nfs/dbraw/zinc/58/06/12/1120580612.db2.gz FLJFCGUYCFOGHW-OLZOCXBDSA-N 0 1 297.443 3.514 20 0 CHADMN CCc1nc(CNCCc2cnc3ccccc3c2)cs1 ZINC000922703516 1120583592 /nfs/dbraw/zinc/58/35/92/1120583592.db2.gz IICSISOPWUABJB-UHFFFAOYSA-N 0 1 297.427 3.586 20 0 CHADMN CCN(Cc1n[nH]c(C(C)C)n1)c1ccc(Cl)cc1F ZINC000428952068 1120584040 /nfs/dbraw/zinc/58/40/40/1120584040.db2.gz BKUCWXRVROKGDA-UHFFFAOYSA-N 0 1 296.777 3.747 20 0 CHADMN CCc1ccc2ccccc2c1CNCc1cc(C)no1 ZINC000922715760 1120586036 /nfs/dbraw/zinc/58/60/36/1120586036.db2.gz MZSOQCJIGCTDIJ-UHFFFAOYSA-N 0 1 280.371 3.988 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3nnc(C(C)C)[nH]3)C2)cc1 ZINC000428964648 1120589134 /nfs/dbraw/zinc/58/91/34/1120589134.db2.gz RJUUKXXZYGUJFS-GDBMZVCRSA-N 0 1 298.434 3.615 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)N(Cc3nnc(C(C)C)[nH]3)C2)cc1 ZINC000428964648 1120589137 /nfs/dbraw/zinc/58/91/37/1120589137.db2.gz RJUUKXXZYGUJFS-GDBMZVCRSA-N 0 1 298.434 3.615 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CC[C@@H](CC(F)(F)F)C1 ZINC000428983111 1120598586 /nfs/dbraw/zinc/59/85/86/1120598586.db2.gz DGRVPRCDAVYKQX-NSHDSACASA-N 0 1 290.329 3.881 20 0 CHADMN CCc1cc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)[nH]n1 ZINC000766000302 1120598695 /nfs/dbraw/zinc/59/86/95/1120598695.db2.gz DOOIYQOQAVVWCP-JTQLQIEISA-N 0 1 297.324 3.842 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H](c3ccccc3)C[C@H]2C)n[nH]1 ZINC000428984946 1120599185 /nfs/dbraw/zinc/59/91/85/1120599185.db2.gz JBHRPQOQAPLXJA-GDBMZVCRSA-N 0 1 298.434 3.696 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)c1Cl ZINC000922804447 1120601177 /nfs/dbraw/zinc/60/11/77/1120601177.db2.gz BHPRTNMTAFKZQR-CYBMUJFWSA-N 0 1 295.810 3.627 20 0 CHADMN C[C@H]1CCC[C@H](C)[N@@H+](Cc2noc3c2CCCC3)C1 ZINC000125339484 1120605349 /nfs/dbraw/zinc/60/53/49/1120605349.db2.gz CSKROKYDTVZLEU-STQMWFEESA-N 0 1 262.397 3.564 20 0 CHADMN CC(=Cc1ccccc1)CN[C@H](C)c1nnc(C(C)C)[nH]1 ZINC000500402101 1120611410 /nfs/dbraw/zinc/61/14/10/1120611410.db2.gz YAVUZWNUAPFQAQ-QLKUMGTLSA-N 0 1 284.407 3.682 20 0 CHADMN c1ccc2c(c1)cncc2CN[C@@H]1CCCc2cccnc21 ZINC000922877721 1120615809 /nfs/dbraw/zinc/61/58/09/1120615809.db2.gz RCCTVWWSCGFDTK-GOSISDBHSA-N 0 1 289.382 3.797 20 0 CHADMN CCc1cc(CN[C@@H]2CCCOc3c(C)cc(C)cc32)[nH]n1 ZINC000766004745 1120617167 /nfs/dbraw/zinc/61/71/67/1120617167.db2.gz SHFPZQVPLFCVRH-QGZVFWFLSA-N 0 1 299.418 3.592 20 0 CHADMN CCc1cc(CN[C@@H]2CCCOc3c(C)cc(C)cc32)n[nH]1 ZINC000766004745 1120617170 /nfs/dbraw/zinc/61/71/70/1120617170.db2.gz SHFPZQVPLFCVRH-QGZVFWFLSA-N 0 1 299.418 3.592 20 0 CHADMN Cc1nc(C[N@H+]2CC[C@H](c3ccc(C)cc3C)C2)co1 ZINC000660450090 1120619990 /nfs/dbraw/zinc/61/99/90/1120619990.db2.gz XLGJJJWBPBDARJ-HNNXBMFYSA-N 0 1 270.376 3.589 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccc(C)cc3C)C2)co1 ZINC000660450090 1120619992 /nfs/dbraw/zinc/61/99/92/1120619992.db2.gz XLGJJJWBPBDARJ-HNNXBMFYSA-N 0 1 270.376 3.589 20 0 CHADMN [O-]c1c(Br)cccc1C[N@H+]1CCCC2(CC2)C1 ZINC000186605628 1120621055 /nfs/dbraw/zinc/62/10/55/1120621055.db2.gz SBUIVMKIMYVRSX-UHFFFAOYSA-N 0 1 296.208 3.531 20 0 CHADMN CCC[C@H](C)CN1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000540497560 1120625230 /nfs/dbraw/zinc/62/52/30/1120625230.db2.gz WBESGGLYHYBJBQ-WMLDXEAASA-N 0 1 277.408 3.505 20 0 CHADMN CCOCCCN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432021827 1120626885 /nfs/dbraw/zinc/62/68/85/1120626885.db2.gz WHVMTNWBHVNTQD-MRXNPFEDSA-N 0 1 283.362 3.918 20 0 CHADMN CN(Cc1ccncc1Br)C1CCCCC1 ZINC000625066882 1120627831 /nfs/dbraw/zinc/62/78/31/1120627831.db2.gz ZDZITFVGVJNBTI-UHFFFAOYSA-N 0 1 283.213 3.609 20 0 CHADMN CCC[C@@H](C)N(C)CC(=O)c1c[nH]c2ccc(F)cc12 ZINC000625078568 1120629601 /nfs/dbraw/zinc/62/96/01/1120629601.db2.gz ROSQWGCCMLATIC-LLVKDONJSA-N 0 1 276.355 3.610 20 0 CHADMN C[C@@H](C1CC1)N(Cc1ccncc1Br)C1CC1 ZINC000625083536 1120631494 /nfs/dbraw/zinc/63/14/94/1120631494.db2.gz GOWRVPOAAFQRAP-JTQLQIEISA-N 0 1 295.224 3.607 20 0 CHADMN CC[C@@H](CC(F)F)C[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000660463936 1120631486 /nfs/dbraw/zinc/63/14/86/1120631486.db2.gz JVVZXNCMOVDULX-GXTWGEPZSA-N 0 1 285.382 3.629 20 0 CHADMN CCN(Cc1ccncc1Br)C1CCCCC1 ZINC000625082081 1120631888 /nfs/dbraw/zinc/63/18/88/1120631888.db2.gz UXHNWGRXRSRQPH-UHFFFAOYSA-N 0 1 297.240 3.999 20 0 CHADMN CCc1nocc1CN[C@@H](C)c1ccc(SC)cc1 ZINC000660465442 1120632387 /nfs/dbraw/zinc/63/23/87/1120632387.db2.gz RMWSRAFCLKBFNH-NSHDSACASA-N 0 1 276.405 3.810 20 0 CHADMN COc1cc(CN2CC[C@@H](C)C2)cc(C(F)(F)F)c1 ZINC001143511859 1120640721 /nfs/dbraw/zinc/64/07/21/1120640721.db2.gz OFUHVVUPVOWWCL-SNVBAGLBSA-N 0 1 273.298 3.556 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3coc(-c4ccccc4F)n3)C[C@@H]21 ZINC000625186010 1120644396 /nfs/dbraw/zinc/64/43/96/1120644396.db2.gz YTZADYKAUWXIKK-OKILXGFUSA-N 0 1 286.350 3.569 20 0 CHADMN CN(C)Cc1cc(NCc2ccco2)ccc1Cl ZINC000282426628 1120654973 /nfs/dbraw/zinc/65/49/73/1120654973.db2.gz ZYTPKXWBPYORIF-UHFFFAOYSA-N 0 1 264.756 3.607 20 0 CHADMN Cc1ccc(-c2ccc([C@H]3COCCN3)cc2)cc1C ZINC000629733298 1128931219 /nfs/dbraw/zinc/93/12/19/1128931219.db2.gz NGBWWJWIFRXFLS-GOSISDBHSA-N 0 1 267.372 3.631 20 0 CHADMN CO[C@@H](CN1CCCn2c(cc3ccccc32)C1)C1CCC1 ZINC000660555733 1120657971 /nfs/dbraw/zinc/65/79/71/1120657971.db2.gz ARKWDIKRJPRTES-IBGZPJMESA-N 0 1 298.430 3.662 20 0 CHADMN CC[C@@H]1CN(C/C(C)=C/c2ccccc2)C[C@H](C)O1 ZINC000511827377 1120658149 /nfs/dbraw/zinc/65/81/49/1120658149.db2.gz AYJICARTURAENC-SDIQTFFVSA-N 0 1 259.393 3.589 20 0 CHADMN CC[C@@H]1CN(C/C(C)=C\c2ccccc2)C[C@H](C)O1 ZINC000511827375 1120658215 /nfs/dbraw/zinc/65/82/15/1120658215.db2.gz AYJICARTURAENC-GEZHENHXSA-N 0 1 259.393 3.589 20 0 CHADMN CSc1cccc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000660562997 1120659211 /nfs/dbraw/zinc/65/92/11/1120659211.db2.gz JALLGDZUAFVERZ-CVEARBPZSA-N 0 1 291.460 3.798 20 0 CHADMN FC(F)c1ccccc1-c1cccc([C@H]2COCCN2)c1 ZINC000629734679 1128931315 /nfs/dbraw/zinc/93/13/15/1128931315.db2.gz UWYMNJSFNVQZIZ-MRXNPFEDSA-N 0 1 289.325 3.952 20 0 CHADMN Cc1nc([C@](C)(NC[C@@H]2CCCCC2(C)C)C2CC2)no1 ZINC000660632809 1120670575 /nfs/dbraw/zinc/67/05/75/1120670575.db2.gz RBSQAGQBDVDRQO-WMLDXEAASA-N 0 1 291.439 3.809 20 0 CHADMN Cc1ccc2nc(SCc3ncccc3C)[nH]c2c1 ZINC000092851684 1128932511 /nfs/dbraw/zinc/93/25/11/1128932511.db2.gz KMEBZJKJFQBORR-UHFFFAOYSA-N 0 1 269.373 3.867 20 0 CHADMN CC[C@H]1C[C@H](Nc2ccc3cnccc3c2)CCO1 ZINC000651604416 1120679373 /nfs/dbraw/zinc/67/93/73/1120679373.db2.gz IFGWHCIYEQJJMD-CVEARBPZSA-N 0 1 256.349 3.604 20 0 CHADMN COc1cccc(CN2CC[C@H](OC)C(C)(C)C2)c1Cl ZINC000660722516 1120681446 /nfs/dbraw/zinc/68/14/46/1120681446.db2.gz ZLXUCNPXXRTMDK-AWEZNQCLSA-N 0 1 297.826 3.596 20 0 CHADMN CN(CCC1CCCCC1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660761175 1120686153 /nfs/dbraw/zinc/68/61/53/1120686153.db2.gz CHGNITDWYXTXSI-QGZVFWFLSA-N 0 1 298.434 3.796 20 0 CHADMN CC[C@@H](NCc1nc2c(s1)CCC2)c1cccs1 ZINC000093064641 1120690589 /nfs/dbraw/zinc/69/05/89/1120690589.db2.gz BIXJQJYCVTTXFU-SNVBAGLBSA-N 0 1 278.446 3.934 20 0 CHADMN CSc1cccc(CN2C[C@H](C)OC3(CCC3)C2)c1 ZINC000660906046 1120699253 /nfs/dbraw/zinc/69/92/53/1120699253.db2.gz QQBRSCTYFLPJCV-ZDUSSCGKSA-N 0 1 277.433 3.552 20 0 CHADMN COc1cc(CNC2(c3ccc(C)cc3)CCC2)sn1 ZINC000660907489 1120700421 /nfs/dbraw/zinc/70/04/21/1120700421.db2.gz RMWGLBYHGFQLKR-UHFFFAOYSA-N 0 1 288.416 3.629 20 0 CHADMN COc1cccc(CN2CC[C@]3(CC3(F)F)C2)c1Cl ZINC000660922037 1120702110 /nfs/dbraw/zinc/70/21/10/1120702110.db2.gz GWGUZRZGIAXLOR-ZDUSSCGKSA-N 0 1 287.737 3.580 20 0 CHADMN Clc1ccc(C2(N[C@H]3CCCc4n[nH]cc43)CC2)cc1 ZINC000334456312 1120702479 /nfs/dbraw/zinc/70/24/79/1120702479.db2.gz YTFMGLKXGSSHSM-AWEZNQCLSA-N 0 1 287.794 3.719 20 0 CHADMN COc1cc(F)c(CN[C@@H](C)c2ccccc2)cc1OC ZINC000651667442 1120703703 /nfs/dbraw/zinc/70/37/03/1120703703.db2.gz CXTINACKAWKGPI-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN c1c(CN2C[C@@H]3CCCC[C@@H]32)noc1-c1ccccc1 ZINC000660928648 1120705139 /nfs/dbraw/zinc/70/51/39/1120705139.db2.gz QZWLQOVXUKLWCW-HOCLYGCPSA-N 0 1 268.360 3.716 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N1Cc2c[nH]nc2[C@H](C)C1 ZINC000931459469 1120706755 /nfs/dbraw/zinc/70/67/55/1120706755.db2.gz POWHDNXYDZMYAL-IAQYHMDHSA-N 0 1 273.355 3.619 20 0 CHADMN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@@H](C)C[C@H](C)C1 ZINC000253555024 1128934907 /nfs/dbraw/zinc/93/49/07/1128934907.db2.gz AGZDRFGBRNXSKC-RDBSUJKOSA-N 0 1 299.418 3.764 20 0 CHADMN Cc1ccc(CN2CCCC[C@@H]2c2ccccc2)nn1 ZINC000334866257 1120711862 /nfs/dbraw/zinc/71/18/62/1120711862.db2.gz DNKNXKQVGKKKCW-QGZVFWFLSA-N 0 1 267.376 3.512 20 0 CHADMN COc1ccccc1C(C)(C)NCc1cc2cnccc2o1 ZINC000651699666 1120715719 /nfs/dbraw/zinc/71/57/19/1120715719.db2.gz CWMKAFVXKJAASX-UHFFFAOYSA-N 0 1 296.370 3.861 20 0 CHADMN CC[C@H](C)[N@H+](CC)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000661107023 1120718718 /nfs/dbraw/zinc/71/87/18/1120718718.db2.gz KPLWDNNQVRCIRS-NSHDSACASA-N 0 1 299.374 3.702 20 0 CHADMN CC[C@H](C)[N@@H+](CC)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000661107023 1120718720 /nfs/dbraw/zinc/71/87/20/1120718720.db2.gz KPLWDNNQVRCIRS-NSHDSACASA-N 0 1 299.374 3.702 20 0 CHADMN COCCSCCC[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000618751187 1128936431 /nfs/dbraw/zinc/93/64/31/1128936431.db2.gz PMFLEDYRWOZAJC-ZDUSSCGKSA-N 0 1 297.439 3.515 20 0 CHADMN CC(C)c1cc(=O)n([C@@H](C)c2ccc(Cl)cc2)[nH]1 ZINC000634601540 1128936567 /nfs/dbraw/zinc/93/65/67/1128936567.db2.gz PQNMZBSORAURJR-JTQLQIEISA-N 0 1 264.756 3.645 20 0 CHADMN CC1(C)C[C@@H](N(Cc2ccccc2)Cc2cccnc2)CO1 ZINC000661193286 1120734011 /nfs/dbraw/zinc/73/40/11/1120734011.db2.gz FXUIUIVVAHPNCY-GOSISDBHSA-N 0 1 296.414 3.651 20 0 CHADMN CC(C)CCN(Cc1nc(-c2cccs2)no1)C1CC1 ZINC000044898490 1120737769 /nfs/dbraw/zinc/73/77/69/1120737769.db2.gz IJSXMNAMNFXYSJ-UHFFFAOYSA-N 0 1 291.420 3.809 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1nc(C2CCCC2)no1 ZINC000661230461 1120740930 /nfs/dbraw/zinc/74/09/30/1120740930.db2.gz BJBDFPKPDVJNOY-LLVKDONJSA-N 0 1 265.401 3.642 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1nc(Cc2ccccc2)no1 ZINC000661233815 1120741920 /nfs/dbraw/zinc/74/19/20/1120741920.db2.gz IZROUNYEKIKVKT-ZDUSSCGKSA-N 0 1 287.407 3.575 20 0 CHADMN c1c2cnccc2oc1CN1CC2(C1)CCCCC2 ZINC000651828355 1120756569 /nfs/dbraw/zinc/75/65/69/1120756569.db2.gz DWUHNCMWCKXDPS-UHFFFAOYSA-N 0 1 256.349 3.594 20 0 CHADMN Clc1cnccc1CN1CCC(C2CCC2)CC1 ZINC000661375092 1120758741 /nfs/dbraw/zinc/75/87/41/1120758741.db2.gz UBNIERPWGSTVAN-UHFFFAOYSA-N 0 1 264.800 3.747 20 0 CHADMN COc1cccc(SCCN[C@H](C)c2cscn2)c1 ZINC000661413181 1120763684 /nfs/dbraw/zinc/76/36/84/1120763684.db2.gz ATKQBKYBEJPQTN-LLVKDONJSA-N 0 1 294.445 3.595 20 0 CHADMN C[C@@H](NCCCOc1cccc(Cl)c1)c1cscn1 ZINC000661425355 1120764149 /nfs/dbraw/zinc/76/41/49/1120764149.db2.gz SPECKVPJWHQJSE-LLVKDONJSA-N 0 1 296.823 3.916 20 0 CHADMN CC1(C)C[C@@H](N2CC3(CCCC3)[C@H]2c2ccco2)CO1 ZINC000661436889 1120764364 /nfs/dbraw/zinc/76/43/64/1120764364.db2.gz WPMWYVASJFSFDD-UKRRQHHQSA-N 0 1 275.392 3.764 20 0 CHADMN CCOc1ccc([C@H](C)NCc2ccoc2C)cc1 ZINC000320967438 1120765225 /nfs/dbraw/zinc/76/52/25/1120765225.db2.gz OFGPGEQPPHZYPX-LBPRGKRZSA-N 0 1 259.349 3.838 20 0 CHADMN CCOc1cc(CN2CCC23CCCC3)cc(Cl)c1O ZINC000651872972 1120768131 /nfs/dbraw/zinc/76/81/31/1120768131.db2.gz LPZARWPSQDYPCY-UHFFFAOYSA-N 0 1 295.810 3.963 20 0 CHADMN CCCC(C)(C)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000651875983 1120769148 /nfs/dbraw/zinc/76/91/48/1120769148.db2.gz XFEYNAQMGIGTHA-UHFFFAOYSA-N 0 1 259.353 3.636 20 0 CHADMN Clc1cccc(-c2nc(CN3CCCC3)co2)c1 ZINC000045734845 1120769604 /nfs/dbraw/zinc/76/96/04/1120769604.db2.gz CLYUKOCUGPDMDY-UHFFFAOYSA-N 0 1 262.740 3.591 20 0 CHADMN CCc1ccc(CN[C@@H](c2ccccc2F)[C@H](C)O)s1 ZINC000651892568 1120771793 /nfs/dbraw/zinc/77/17/93/1120771793.db2.gz BHHJXVNRJDROGD-MEDUHNTESA-N 0 1 293.407 3.661 20 0 CHADMN Cc1ccc([C@H](C)NCc2cc(O)cc(F)c2)cc1F ZINC000184143796 1120775035 /nfs/dbraw/zinc/77/50/35/1120775035.db2.gz MXSMOTJNPPSPML-NSHDSACASA-N 0 1 277.314 3.830 20 0 CHADMN CC1(c2cc(=O)n(-c3ccccc3C(F)(F)F)[nH]2)CC1 ZINC000140549705 1120778138 /nfs/dbraw/zinc/77/81/38/1120778138.db2.gz AKTXLERKDQAGAU-UHFFFAOYSA-N 0 1 282.265 3.598 20 0 CHADMN Cc1cccc(CN2CC3(CCOCC3)[C@H]2c2ccco2)c1 ZINC000661560058 1120778893 /nfs/dbraw/zinc/77/88/93/1120778893.db2.gz FHAPGKNFHKTYIV-GOSISDBHSA-N 0 1 297.398 3.942 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@@H](C3CCCCC3)C2)n1 ZINC000661582894 1120783568 /nfs/dbraw/zinc/78/35/68/1120783568.db2.gz GWYQMFPTMSFAFV-GXTWGEPZSA-N 0 1 277.412 3.595 20 0 CHADMN FC(F)(F)c1ccccc1-c1noc([C@@H]2CCCCN2)n1 ZINC000257896222 1120784706 /nfs/dbraw/zinc/78/47/06/1120784706.db2.gz DAGDUXUWBYGWKM-NSHDSACASA-N 0 1 297.280 3.570 20 0 CHADMN Cc1c(Cl)ccc(CN2CC[C@@H]([C@H](C)O)C2)c1Cl ZINC000893471571 1120784816 /nfs/dbraw/zinc/78/48/16/1120784816.db2.gz DGIPTMZBVHHDKN-WDEREUQCSA-N 0 1 288.218 3.505 20 0 CHADMN CCN(Cc1nc(-c2ccc(Cl)cc2)no1)CC(C)C ZINC000046064324 1120785553 /nfs/dbraw/zinc/78/55/53/1120785553.db2.gz MRFFIIXSPMXDSX-UHFFFAOYSA-N 0 1 293.798 3.868 20 0 CHADMN FCC[C@@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000661688040 1120795200 /nfs/dbraw/zinc/79/52/00/1120795200.db2.gz AREVPDWJQNHNQX-NSHDSACASA-N 0 1 257.299 3.536 20 0 CHADMN FCC[C@@H]1CCCN(Cc2nsc3ccccc32)C1 ZINC000661690858 1120795941 /nfs/dbraw/zinc/79/59/41/1120795941.db2.gz VVKNJXTWLMAZPL-LBPRGKRZSA-N 0 1 278.396 3.868 20 0 CHADMN FCC[C@H]1CCCN(Cc2nsc3ccccc32)C1 ZINC000661690857 1120796173 /nfs/dbraw/zinc/79/61/73/1120796173.db2.gz VVKNJXTWLMAZPL-GFCCVEGCSA-N 0 1 278.396 3.868 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1C[C@@H]2COC[C@]2(C)C1 ZINC000661703811 1120797723 /nfs/dbraw/zinc/79/77/23/1120797723.db2.gz MITOGQZRZMUZPL-HFAKWTLXSA-N 0 1 283.774 3.508 20 0 CHADMN CC(C)Oc1ncccc1CNCc1ccc(Cl)cc1 ZINC000048068430 1120800476 /nfs/dbraw/zinc/80/04/76/1120800476.db2.gz HQWFYCUFJJBHKV-UHFFFAOYSA-N 0 1 290.794 3.812 20 0 CHADMN Cc1ccc(C)c(CNCc2cccnc2OC(C)C)c1 ZINC000048068415 1120801181 /nfs/dbraw/zinc/80/11/81/1120801181.db2.gz WGSSNSNVVHULFX-UHFFFAOYSA-N 0 1 284.403 3.775 20 0 CHADMN C[C@H](NCc1cccc2ccsc21)c1cc2n(n1)CCC2 ZINC000652219705 1120801822 /nfs/dbraw/zinc/80/18/22/1120801822.db2.gz JCCIAVQILLVQFQ-LBPRGKRZSA-N 0 1 297.427 3.895 20 0 CHADMN CCOC(CN[C@H](C)c1oc2ccccc2c1C)OCC ZINC000093447067 1120808036 /nfs/dbraw/zinc/80/80/36/1120808036.db2.gz MJLBSJRSKZQHGV-CYBMUJFWSA-N 0 1 291.391 3.791 20 0 CHADMN COc1cc(Cl)ncc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC001141341438 1120808129 /nfs/dbraw/zinc/80/81/29/1120808129.db2.gz CBENFAVMFOXZPQ-JSGCOSHPSA-N 0 1 294.826 3.898 20 0 CHADMN COc1cc(Cl)ncc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001141341461 1120809692 /nfs/dbraw/zinc/80/96/92/1120809692.db2.gz CPEABYLSHZCLFK-AAEUAGOBSA-N 0 1 280.799 3.508 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc(O)cc(F)c1 ZINC000473144412 1120812309 /nfs/dbraw/zinc/81/23/09/1120812309.db2.gz OFXWUJHOMVNRNW-SCLBCKFNSA-N 0 1 285.362 3.909 20 0 CHADMN C[C@H](N[C@H](CO)CCF)c1cc(F)c(Cl)cc1Cl ZINC000652305931 1120815977 /nfs/dbraw/zinc/81/59/77/1120815977.db2.gz LUKGHCUUYXXKOS-YUMQZZPRSA-N 0 1 298.160 3.504 20 0 CHADMN CCOc1ccc(-c2nc(CN3CCCC3)cs2)cc1 ZINC000048419041 1120819170 /nfs/dbraw/zinc/81/91/70/1120819170.db2.gz QHDDYFHKZAJWND-UHFFFAOYSA-N 0 1 288.416 3.805 20 0 CHADMN Clc1cnccc1CN1CCC([C@@H]2CCCCO2)CC1 ZINC000661867412 1120828633 /nfs/dbraw/zinc/82/86/33/1120828633.db2.gz NGLYVKJNZNAJQQ-INIZCTEOSA-N 0 1 294.826 3.516 20 0 CHADMN Cc1c(Cl)cccc1N1N=C2CCCC[C@H]2C1=O ZINC000629942706 1128943019 /nfs/dbraw/zinc/94/30/19/1128943019.db2.gz PHSHGRLUHJEHIM-SNVBAGLBSA-N 0 1 262.740 3.541 20 0 CHADMN Cc1c(Cl)cccc1-n1[nH]c2c(c1=O)CCCC2 ZINC000629942706 1128943022 /nfs/dbraw/zinc/94/30/22/1128943022.db2.gz PHSHGRLUHJEHIM-SNVBAGLBSA-N 0 1 262.740 3.541 20 0 CHADMN Fc1cccc(CN2CCC([C@@H]3CCCCO3)CC2)c1F ZINC000661874775 1120830744 /nfs/dbraw/zinc/83/07/44/1120830744.db2.gz OCZSNPVBVFBLJR-INIZCTEOSA-N 0 1 295.373 3.746 20 0 CHADMN Fc1ccc(F)c(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000661877818 1120831784 /nfs/dbraw/zinc/83/17/84/1120831784.db2.gz WGHPDYJXBDFBSA-CXAGYDPISA-N 0 1 295.373 3.746 20 0 CHADMN O=C(Nc1ccccc1Cl)c1cc(F)cc2[nH]cnc21 ZINC000048754157 1120840556 /nfs/dbraw/zinc/84/05/56/1120840556.db2.gz UGVNQONJICUHTH-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN Cc1ccc(CN2CCC3(CCCC3=O)CC2)c(Cl)c1 ZINC000661961963 1120848082 /nfs/dbraw/zinc/84/80/82/1120848082.db2.gz RVYHZDZQIGCYHH-UHFFFAOYSA-N 0 1 291.822 3.984 20 0 CHADMN C[C@H](C(=O)Nc1cccc2ccccc21)N1CC[C@@H]2C[C@@H]2C1 ZINC000661968763 1120848185 /nfs/dbraw/zinc/84/81/85/1120848185.db2.gz ATDOHFGCLGLWIP-FVQBIDKESA-N 0 1 294.398 3.509 20 0 CHADMN Cc1ccc(-c2csc(CN3CC[C@H]4C[C@H]4C3)n2)cc1 ZINC000661965988 1120848605 /nfs/dbraw/zinc/84/86/05/1120848605.db2.gz CTEITNITPDDEQF-GJZGRUSLSA-N 0 1 284.428 3.960 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC000652409061 1120856576 /nfs/dbraw/zinc/85/65/76/1120856576.db2.gz BQZIIMRHYAZWIL-WFASDCNBSA-N 0 1 289.400 3.609 20 0 CHADMN COc1ccccc1CN(C)Cc1ccc(C)cc1 ZINC000042976672 1120858630 /nfs/dbraw/zinc/85/86/30/1120858630.db2.gz NBMLJAVZBZISMJ-UHFFFAOYSA-N 0 1 255.361 3.636 20 0 CHADMN CCc1ncc(C[N@@H+](C)Cc2cccc(C)c2)s1 ZINC000067402643 1120860904 /nfs/dbraw/zinc/86/09/04/1120860904.db2.gz CGDHJQAZIMKMRO-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN CCc1ncc(CN(C)Cc2cccc(C)c2)s1 ZINC000067402643 1120860907 /nfs/dbraw/zinc/86/09/07/1120860907.db2.gz CGDHJQAZIMKMRO-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN CC(C)(C)c1cnc(CN2CCC[C@@H](C3CCC3)C2)o1 ZINC000662040634 1120862750 /nfs/dbraw/zinc/86/27/50/1120862750.db2.gz VHDKPRHKFVFZCE-CQSZACIVSA-N 0 1 276.424 3.984 20 0 CHADMN Cc1cccc([C@@H](C)N[C@@H]2COc3ccc(F)cc32)c1 ZINC000467003574 1120863169 /nfs/dbraw/zinc/86/31/69/1120863169.db2.gz RONWJIQNZYRVLM-MLGOLLRUSA-N 0 1 271.335 3.918 20 0 CHADMN CC(C)CC1(NCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000662070894 1120868840 /nfs/dbraw/zinc/86/88/40/1120868840.db2.gz ULQZPVFNCNXVSX-UHFFFAOYSA-N 0 1 289.354 3.544 20 0 CHADMN CSc1ccc(C[N@@H+](CC(=O)[O-])C2CCCCC2)cc1 ZINC000652482483 1120871882 /nfs/dbraw/zinc/87/18/82/1120871882.db2.gz CKVKAIZGZJNLGK-UHFFFAOYSA-N 0 1 293.432 3.628 20 0 CHADMN CCC(C)(C)CC[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000652487788 1120872954 /nfs/dbraw/zinc/87/29/54/1120872954.db2.gz RZHKCEQAZUSYMT-UHFFFAOYSA-N 0 1 275.392 3.569 20 0 CHADMN COc1cccc(C2(NCc3ncccc3C)CCC2)c1 ZINC000662109016 1120876888 /nfs/dbraw/zinc/87/68/88/1120876888.db2.gz DSULOPRHNSYPIJ-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN CC[C@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2)CC1 ZINC000249201957 1120879978 /nfs/dbraw/zinc/87/99/78/1120879978.db2.gz UBWYSCYJEXBEBB-IIAWOOMASA-N 0 1 298.386 3.550 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1ncc(C(C)(C)C)o1 ZINC000662133746 1120883352 /nfs/dbraw/zinc/88/33/52/1120883352.db2.gz PULWUNVANYXMIE-YHWZYXNKSA-N 0 1 262.397 3.735 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000251339046 1120883468 /nfs/dbraw/zinc/88/34/68/1120883468.db2.gz MDVQVZGCZBSZIA-JJXSEGSLSA-N 0 1 281.440 3.921 20 0 CHADMN CCCCC[C@@H]1CCCCN1Cc1nnc(C)n1CCC ZINC000662157126 1120888723 /nfs/dbraw/zinc/88/87/23/1120888723.db2.gz TWQXYHVRVBKFCF-MRXNPFEDSA-N 0 1 292.471 3.931 20 0 CHADMN Cc1nc(CN2CCC[C@H](C3CCCCC3)C2)co1 ZINC000662200926 1120897932 /nfs/dbraw/zinc/89/79/32/1120897932.db2.gz JCAGGGNSMHTQHA-HNNXBMFYSA-N 0 1 262.397 3.775 20 0 CHADMN CC[N@@H+](Cc1ccccc1Oc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000662216602 1120904964 /nfs/dbraw/zinc/90/49/64/1120904964.db2.gz QFMCIXIAJGYXJN-AWEZNQCLSA-N 0 1 299.370 3.774 20 0 CHADMN FC(F)Oc1cccc(CNc2ccc3c[nH]nc3c2)c1 ZINC000630067011 1128948099 /nfs/dbraw/zinc/94/80/99/1128948099.db2.gz KBFGCZMTCGLIDT-UHFFFAOYSA-N 0 1 289.285 3.776 20 0 CHADMN CCOc1ccc(CNc2ccc3c[nH]nc3c2)cc1F ZINC000630069555 1128948549 /nfs/dbraw/zinc/94/85/49/1128948549.db2.gz LVTZGTKPFXSINA-UHFFFAOYSA-N 0 1 285.322 3.713 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cs1 ZINC000663315902 1120922379 /nfs/dbraw/zinc/92/23/79/1120922379.db2.gz POXWCTWAHPIOTI-STQMWFEESA-N 0 1 279.405 3.601 20 0 CHADMN COCC1(NCc2csc(C(C)(C)C)n2)CCCCC1 ZINC000662336426 1120927277 /nfs/dbraw/zinc/92/72/77/1120927277.db2.gz BVGLMJCTOLWPJC-UHFFFAOYSA-N 0 1 296.480 3.880 20 0 CHADMN CCc1nc(C)c(CNCc2cccc(C(C)C)c2)o1 ZINC000663325992 1120929503 /nfs/dbraw/zinc/92/95/03/1120929503.db2.gz NGDVGJSLGONDQK-UHFFFAOYSA-N 0 1 272.392 3.959 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN1CC2CC1(C)C2 ZINC000662382773 1120933252 /nfs/dbraw/zinc/93/32/52/1120933252.db2.gz CCOGKFQASHGDJP-UHFFFAOYSA-N 0 1 274.389 3.696 20 0 CHADMN c1sc(C2CC2)nc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000162034326 1120935125 /nfs/dbraw/zinc/93/51/25/1120935125.db2.gz AAEYZMYXAQDFFR-RISCZKNCSA-N 0 1 262.422 3.785 20 0 CHADMN CC1(C)C[C@@]1(NCc1cnc(C2CC2)nc1)c1ccccc1 ZINC000663341244 1120939898 /nfs/dbraw/zinc/93/98/98/1120939898.db2.gz MYQAZBXBWZGMIC-LJQANCHMSA-N 0 1 293.414 3.769 20 0 CHADMN Cc1ccc(CNCc2cnccc2C(F)(F)F)s1 ZINC000663351370 1120943394 /nfs/dbraw/zinc/94/33/94/1120943394.db2.gz FAOVNTGLBZWXBG-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CC1(C)C[N@@H+](CCCC2CCOCC2)[C@@H]1c1cccnc1 ZINC000644835503 1120947299 /nfs/dbraw/zinc/94/72/99/1120947299.db2.gz OYNMOXIVEONBJH-QGZVFWFLSA-N 0 1 288.435 3.671 20 0 CHADMN Cc1ccc(C[C@@H]2CCC[N@@H+](Cc3cscn3)C2)cc1 ZINC000065261071 1120948932 /nfs/dbraw/zinc/94/89/32/1120948932.db2.gz ZLZBUJNVJXHJPF-INIZCTEOSA-N 0 1 286.444 3.906 20 0 CHADMN Cc1ccc(C[C@@H]2CCCN(Cc3cscn3)C2)cc1 ZINC000065261071 1120948935 /nfs/dbraw/zinc/94/89/35/1120948935.db2.gz ZLZBUJNVJXHJPF-INIZCTEOSA-N 0 1 286.444 3.906 20 0 CHADMN CCN(C(=O)c1cc(C(C)C)[nH]n1)[C@@H]1CCCC[C@@H]1C ZINC000066674761 1120951674 /nfs/dbraw/zinc/95/16/74/1120951674.db2.gz CQJAVVYVGQIHNL-SWLSCSKDSA-N 0 1 277.412 3.574 20 0 CHADMN CCCCN(Cc1cnnn1C)[C@H](CC)c1ccccc1 ZINC000093363368 1128951832 /nfs/dbraw/zinc/95/18/32/1128951832.db2.gz KPIVNQJUQNRUQW-QGZVFWFLSA-N 0 1 286.423 3.569 20 0 CHADMN C=CCOc1ccc(CNCc2ccc(Cl)nc2)cc1 ZINC000069753532 1120958760 /nfs/dbraw/zinc/95/87/60/1120958760.db2.gz DHCRLKZEKJYNFX-UHFFFAOYSA-N 0 1 288.778 3.590 20 0 CHADMN C/C(=C/c1ccccc1)CN1C[C@H](C)OC(C)(C)C1 ZINC000511979607 1120963589 /nfs/dbraw/zinc/96/35/89/1120963589.db2.gz XJCGFKHRCHHYAX-LTBFUDJGSA-N 0 1 259.393 3.589 20 0 CHADMN Cc1nccc(N[C@H](C)c2ccc3n[nH]cc3c2)c1Cl ZINC000343920224 1120965959 /nfs/dbraw/zinc/96/59/59/1120965959.db2.gz RZOFLKDFKIAPDC-SECBINFHSA-N 0 1 286.766 3.515 20 0 CHADMN Clc1ncc(CN2CCC[C@@H]3CCCC[C@@H]32)s1 ZINC000094194794 1120981012 /nfs/dbraw/zinc/98/10/12/1120981012.db2.gz NFJIXXVADDNBQL-JQWIXIFHSA-N 0 1 270.829 3.951 20 0 CHADMN CCn1nccc1CN[C@H]1CCCOc2c(C)cc(C)cc21 ZINC000663467414 1120981723 /nfs/dbraw/zinc/98/17/23/1120981723.db2.gz IQHPOIICBRPJGP-KRWDZBQOSA-N 0 1 299.418 3.523 20 0 CHADMN CCCCCC[C@@H](CC)CN(C)C(=O)C1(N(C)C)CC1 ZINC001167822305 1120991689 /nfs/dbraw/zinc/99/16/89/1120991689.db2.gz HIYBNIRFTBDFEG-OAHLLOKOSA-N 0 1 282.472 3.536 20 0 CHADMN Cc1cc(CNCc2ccc(C(F)F)cc2)cnc1F ZINC000893622171 1120998448 /nfs/dbraw/zinc/99/84/48/1120998448.db2.gz RKFYTLGIZFOGLG-UHFFFAOYSA-N 0 1 280.293 3.757 20 0 CHADMN CC1(C)C[C@]1(NCc1cc(CO)ccc1F)c1ccccc1 ZINC000625565116 1121018253 /nfs/dbraw/zinc/01/82/53/1121018253.db2.gz MKMQXPAWOJDGBF-IBGZPJMESA-N 0 1 299.389 3.733 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H]1CCCc2nc(C)ncc21 ZINC000766045664 1121019585 /nfs/dbraw/zinc/01/95/85/1121019585.db2.gz UKSDOXPQSQMHNM-LRDDRELGSA-N 0 1 297.402 3.522 20 0 CHADMN CC[C@@H]1CCC[C@H](C)N1Cc1ccnc(Br)c1 ZINC001174781693 1121029018 /nfs/dbraw/zinc/02/90/18/1121029018.db2.gz ZGJWUEVHXISVEM-WCQYABFASA-N 0 1 297.240 3.997 20 0 CHADMN Cc1ccc(CN(C)CCOc2cccc(Cl)c2)o1 ZINC000058888512 1121043016 /nfs/dbraw/zinc/04/30/16/1121043016.db2.gz HXXFKCCCMSZFMP-UHFFFAOYSA-N 0 1 279.767 3.752 20 0 CHADMN COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H](C)C3)c2c1 ZINC000006209000 1121044803 /nfs/dbraw/zinc/04/48/03/1121044803.db2.gz XUZNFKJHDTUSBM-CYBMUJFWSA-N 0 1 285.387 3.786 20 0 CHADMN C[C@H](N[C@@H]1CS[C@H](C)C1)c1c(F)cccc1F ZINC000094472722 1121047367 /nfs/dbraw/zinc/04/73/67/1121047367.db2.gz OLCVUHJADOEQQY-UTLUCORTSA-N 0 1 257.349 3.509 20 0 CHADMN CC(C)Oc1ccnc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000625654504 1121048334 /nfs/dbraw/zinc/04/83/34/1121048334.db2.gz UMZAENVGVHKPKW-STQMWFEESA-N 0 1 298.377 3.592 20 0 CHADMN Cc1nocc1CN1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625656426 1121048464 /nfs/dbraw/zinc/04/84/64/1121048464.db2.gz XSJJBTUCIPOKDV-ZDUSSCGKSA-N 0 1 292.329 3.641 20 0 CHADMN CCCc1nc(C)c(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)o1 ZINC000625653137 1121048700 /nfs/dbraw/zinc/04/87/00/1121048700.db2.gz ODGOMCGCIGAWNA-GHMZBOCLSA-N 0 1 286.366 3.659 20 0 CHADMN Fc1ccc([C@@H]2CCCN(Cc3cccnc3)C2)cc1F ZINC000625660636 1121050760 /nfs/dbraw/zinc/05/07/60/1121050760.db2.gz ZFHANKQPRGIEEM-OAHLLOKOSA-N 0 1 288.341 3.739 20 0 CHADMN C[C@]1(CN2CCc3cccc(Cl)c3C2)CCCCO1 ZINC001206233332 1121055591 /nfs/dbraw/zinc/05/55/91/1121055591.db2.gz VHZJTVLERAPLAG-MRXNPFEDSA-N 0 1 279.811 3.657 20 0 CHADMN COc1c(C)cnc(CNCc2ccc(Cl)s2)c1C ZINC000070218082 1128959234 /nfs/dbraw/zinc/95/92/34/1128959234.db2.gz CMSJBIACXAKYNG-UHFFFAOYSA-N 0 1 296.823 3.712 20 0 CHADMN Cc1ccc(F)cc1Nc1nnc(-c2ccco2)o1 ZINC001174883428 1121058211 /nfs/dbraw/zinc/05/82/11/1121058211.db2.gz BJUWAIBTFNUPGP-UHFFFAOYSA-N 0 1 259.240 3.521 20 0 CHADMN CCC(CC)N(CC)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000344026915 1121058741 /nfs/dbraw/zinc/05/87/41/1121058741.db2.gz KCBXTIXMPHWCCN-ZDUSSCGKSA-N 0 1 297.443 3.814 20 0 CHADMN CCC(CC)N(CC)Cc1nnc(C2CC2)n1C1CC1 ZINC000344027413 1121059296 /nfs/dbraw/zinc/05/92/96/1121059296.db2.gz LHMWLNQFXVLJCB-UHFFFAOYSA-N 0 1 276.428 3.501 20 0 CHADMN CN(Cc1csc(C2CC2)n1)C[C@H]1CC=CCC1 ZINC000344033761 1121059762 /nfs/dbraw/zinc/05/97/62/1121059762.db2.gz QHPMKJUATBXUSJ-LBPRGKRZSA-N 0 1 262.422 3.809 20 0 CHADMN CCCCO[C@H]1C[C@@H](NCc2nc(C)cs2)C1(C)C ZINC000344032822 1121062613 /nfs/dbraw/zinc/06/26/13/1121062613.db2.gz KGZKYKFDVCVTNI-OLZOCXBDSA-N 0 1 282.453 3.525 20 0 CHADMN CC[C@H](CC1CCCC1)C(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC001127683925 1128960060 /nfs/dbraw/zinc/96/00/60/1128960060.db2.gz PDCAPCDMEPKUER-BFYDXBDKSA-N 0 1 294.483 3.534 20 0 CHADMN Cc1ncc2c(n1)CCC[C@H]2NCc1cc(Cl)cs1 ZINC000785471968 1121068711 /nfs/dbraw/zinc/06/87/11/1121068711.db2.gz YUQFLCUSASSSHI-CYBMUJFWSA-N 0 1 293.823 3.667 20 0 CHADMN Cc1ccsc1CN1CCO[C@H](c2ccccc2C)C1 ZINC000093478416 1128960189 /nfs/dbraw/zinc/96/01/89/1128960189.db2.gz PENGEUINNKWSQA-INIZCTEOSA-N 0 1 287.428 3.938 20 0 CHADMN Cc1nc(CN2CC(C)(C)CCC2(C)C)oc1C ZINC000625723451 1121069891 /nfs/dbraw/zinc/06/98/91/1121069891.db2.gz OXJYDKVCAYTXIB-UHFFFAOYSA-N 0 1 250.386 3.692 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1Cc2ccccc2[C@@H]1C ZINC000344063689 1121070139 /nfs/dbraw/zinc/07/01/39/1121070139.db2.gz QAHLZVUIBBBUCW-LBPRGKRZSA-N 0 1 283.375 3.559 20 0 CHADMN CC(C)(NCCOCC1CC1)c1nc2ccccc2s1 ZINC000625721196 1121070935 /nfs/dbraw/zinc/07/09/35/1121070935.db2.gz TYFMZQOFTBLNMP-UHFFFAOYSA-N 0 1 290.432 3.548 20 0 CHADMN C[C@@H]1CN(Cc2nc(-c3ccsc3)no2)CC(C)(C)C1 ZINC000344061901 1121071210 /nfs/dbraw/zinc/07/12/10/1121071210.db2.gz MZNLNPUDVIZEEA-NSHDSACASA-N 0 1 291.420 3.666 20 0 CHADMN C[C@@H]1CN(Cc2nc3cccnc3s2)CC(C)(C)C1 ZINC000344080179 1121076691 /nfs/dbraw/zinc/07/66/91/1121076691.db2.gz YRNPEZCKPYKFFP-NSHDSACASA-N 0 1 275.421 3.559 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2C[C@@H](OCC(C)C)C2(C)C)cs1 ZINC000344089795 1121079820 /nfs/dbraw/zinc/07/98/20/1121079820.db2.gz BUOHZYFUQXCREH-NILFDRSVSA-N 0 1 296.480 3.942 20 0 CHADMN c1coc(-c2cc(CN3CCC[C@H](C4CC4)C3)no2)c1 ZINC000344093676 1121081170 /nfs/dbraw/zinc/08/11/70/1121081170.db2.gz KSWWMKJEOXJNIY-ZDUSSCGKSA-N 0 1 272.348 3.557 20 0 CHADMN Fc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)c(Cl)c1 ZINC000631260531 1121086791 /nfs/dbraw/zinc/08/67/91/1121086791.db2.gz PWMLOIVTJMMGQG-PSASIEDQSA-N 0 1 267.653 3.520 20 0 CHADMN CC(C)(C)OCc1ccc(-n2c(N)nc3ccccc32)cc1 ZINC001174912175 1121090137 /nfs/dbraw/zinc/09/01/37/1121090137.db2.gz VWFCUBSIOWMOJX-UHFFFAOYSA-N 0 1 295.386 3.923 20 0 CHADMN Cc1ccc(CN(C)Cc2nc3ccccc3nc2C)s1 ZINC000171205611 1121102364 /nfs/dbraw/zinc/10/23/64/1121102364.db2.gz MOTKANNMVDCYFH-UHFFFAOYSA-N 0 1 297.427 3.940 20 0 CHADMN Clc1cnccc1CN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661878421 1121105397 /nfs/dbraw/zinc/10/53/97/1121105397.db2.gz NTXCMGOZXJLFIY-ZBFHGGJFSA-N 0 1 294.826 3.516 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cccc(N(C)C)c1 ZINC001174964440 1121114978 /nfs/dbraw/zinc/11/49/78/1121114978.db2.gz FCIDRHYNNQWAOZ-UHFFFAOYSA-N 0 1 284.338 3.591 20 0 CHADMN C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@H](C)C1 ZINC000261381459 1121119105 /nfs/dbraw/zinc/11/91/05/1121119105.db2.gz DXOJADLRPRVPKH-KGLIPLIRSA-N 0 1 288.435 3.653 20 0 CHADMN CC[C@@]1(C)CC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000344210170 1121120543 /nfs/dbraw/zinc/12/05/43/1121120543.db2.gz ADLBPUOJMQMFGH-KRWDZBQOSA-N 0 1 287.382 3.633 20 0 CHADMN CC[C@@]1(C)CCN(Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000344210170 1121120546 /nfs/dbraw/zinc/12/05/46/1121120546.db2.gz ADLBPUOJMQMFGH-KRWDZBQOSA-N 0 1 287.382 3.633 20 0 CHADMN CC[C@@]1(C)CCN([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000344215004 1121121827 /nfs/dbraw/zinc/12/18/27/1121121827.db2.gz HOGZSHIPPWIZLQ-NHYWBVRUSA-N 0 1 291.420 3.981 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccc(C(=O)[O-])o1)C1CCCCC1 ZINC000530174683 1121123320 /nfs/dbraw/zinc/12/33/20/1121123320.db2.gz YOBYBAPSNGHTCH-GFCCVEGCSA-N 0 1 279.380 3.626 20 0 CHADMN CCCCOc1ccccc1Nc1c(C)ncn1C ZINC001175000769 1121126366 /nfs/dbraw/zinc/12/63/66/1121126366.db2.gz XTTRDBRLKMSSDB-UHFFFAOYSA-N 0 1 259.353 3.651 20 0 CHADMN CCOc1cc(F)cc(Nc2cnc3cccc(C)n23)c1 ZINC001175001822 1121127402 /nfs/dbraw/zinc/12/74/02/1121127402.db2.gz BUPKOJBUCNCTMC-UHFFFAOYSA-N 0 1 285.322 3.924 20 0 CHADMN CC(C)CCN(Cc1noc2c1CCCC2)C1CC1 ZINC000171731849 1121127435 /nfs/dbraw/zinc/12/74/35/1121127435.db2.gz WSGAYDPBWQCQFZ-UHFFFAOYSA-N 0 1 262.397 3.564 20 0 CHADMN CCc1ccc(NC(=O)c2cccc(F)c2O)cc1Cl ZINC001128725454 1121129179 /nfs/dbraw/zinc/12/91/79/1121129179.db2.gz USOQIOLWHPRMAS-UHFFFAOYSA-N 0 1 293.725 3.999 20 0 CHADMN COc1cc(F)cc(Nc2c(C)nc3ccc(F)cn32)c1 ZINC001175009224 1121131028 /nfs/dbraw/zinc/13/10/28/1121131028.db2.gz JTVKPKWRNVSGAV-UHFFFAOYSA-N 0 1 289.285 3.673 20 0 CHADMN Cc1ccc(CC(=O)Nc2cccc(Cl)c2O)cc1 ZINC000172108553 1121139595 /nfs/dbraw/zinc/13/95/95/1121139595.db2.gz WLTNMITYJKHTIE-UHFFFAOYSA-N 0 1 275.735 3.535 20 0 CHADMN C[C@@H](c1ccncc1)N(C)Cc1cc2ccccc2[nH]1 ZINC000674505419 1121140016 /nfs/dbraw/zinc/14/00/16/1121140016.db2.gz GONRPJBMEFCUDN-ZDUSSCGKSA-N 0 1 265.360 3.756 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1ccccc1F)c1cnn(C)c1 ZINC000922892683 1121143877 /nfs/dbraw/zinc/14/38/77/1121143877.db2.gz FYIGFDYUUFHZID-LRDDRELGSA-N 0 1 275.371 3.607 20 0 CHADMN CC(C)c1cccc(CNCc2cn(C)nc2C2CC2)c1 ZINC000893675783 1121159538 /nfs/dbraw/zinc/15/95/38/1121159538.db2.gz MTKHWJAFQWSQKT-UHFFFAOYSA-N 0 1 283.419 3.711 20 0 CHADMN C/C=C\C[C@@H]1CCCN([C@@H](C(=O)OC)c2ccccc2)C1 ZINC001175056333 1121163128 /nfs/dbraw/zinc/16/31/28/1121163128.db2.gz ZGDRIXAWOPQYEU-NSWPXQNRSA-N 0 1 287.403 3.579 20 0 CHADMN CC[C@H](C)CN(C)Cc1ncc(-c2ccccc2F)o1 ZINC000172800932 1121163485 /nfs/dbraw/zinc/16/34/85/1121163485.db2.gz OCIIAMYGRKABHO-LBPRGKRZSA-N 0 1 276.355 3.959 20 0 CHADMN CC[C@H](C)CCN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000658123362 1121167379 /nfs/dbraw/zinc/16/73/79/1121167379.db2.gz ZLIGSWKEBVBGFX-SWLSCSKDSA-N 0 1 275.371 3.664 20 0 CHADMN Cc1ccc(C[N@@H+]2CCCC[C@H]2C(C)C)cc1C(=O)[O-] ZINC000701821700 1121170217 /nfs/dbraw/zinc/17/02/17/1121170217.db2.gz APFNSIURMDTIQK-INIZCTEOSA-N 0 1 275.392 3.704 20 0 CHADMN CC[C@H](NC/C=C/CO)c1ccc(Cl)cc1Cl ZINC000658134010 1121173845 /nfs/dbraw/zinc/17/38/45/1121173845.db2.gz UOBOVZQCFVAGHD-OOPCZODUSA-N 0 1 274.191 3.583 20 0 CHADMN COc1c(C)cnc(CN[C@@H](C)c2ccsc2)c1C ZINC000061363431 1121178332 /nfs/dbraw/zinc/17/83/32/1121178332.db2.gz GTTJOCRUSSOYSS-LBPRGKRZSA-N 0 1 276.405 3.619 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1cccc2nsnc21 ZINC000766073689 1121182551 /nfs/dbraw/zinc/18/25/51/1121182551.db2.gz CUTWXDBSLLWTEJ-LBPRGKRZSA-N 0 1 295.411 3.638 20 0 CHADMN CC(C)CCN(C)Cc1nc(C(C)(C)C)cs1 ZINC000674861014 1121188357 /nfs/dbraw/zinc/18/83/57/1121188357.db2.gz KBEOJVTWGJRIOW-UHFFFAOYSA-N 0 1 254.443 3.919 20 0 CHADMN CCCc1occc1C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000344480652 1121190840 /nfs/dbraw/zinc/19/08/40/1121190840.db2.gz FLPPHSMBMIZPFS-UHFFFAOYSA-N 0 1 283.331 3.669 20 0 CHADMN c1ccc([C@H]2CCN2Cc2cccc3nsnc32)cc1 ZINC000766084366 1121200529 /nfs/dbraw/zinc/20/05/29/1121200529.db2.gz MVWGZPAOBMCVGE-OAHLLOKOSA-N 0 1 281.384 3.638 20 0 CHADMN CCCCc1noc([C@H](C)N[C@@H]2CCC[C@@H](C)[C@@H]2C)n1 ZINC000229485331 1121203802 /nfs/dbraw/zinc/20/38/02/1121203802.db2.gz FRECQAOOVDZWCB-ZOBORPQBSA-N 0 1 279.428 3.888 20 0 CHADMN C[C@@H]1CN(Cc2cccc3nsnc32)[C@@H]1c1ccccc1 ZINC000766085276 1121204366 /nfs/dbraw/zinc/20/43/66/1121204366.db2.gz RZDPOBTYMKUBIB-PXAZEXFGSA-N 0 1 295.411 3.884 20 0 CHADMN C[C@H](c1ccccc1F)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000675023755 1121209249 /nfs/dbraw/zinc/20/92/49/1121209249.db2.gz MGALEJWECCXVRK-GFCCVEGCSA-N 0 1 295.361 3.862 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000675026303 1121210449 /nfs/dbraw/zinc/21/04/49/1121210449.db2.gz ALLJEIGLNQLBMM-LBPRGKRZSA-N 0 1 295.361 3.862 20 0 CHADMN Cc1nc([C@H](C)N[C@H]2C[C@H](Oc3ccccc3)C2)cs1 ZINC000658191954 1121212642 /nfs/dbraw/zinc/21/26/42/1121212642.db2.gz LEUISVADNWPHMH-WHOFXGATSA-N 0 1 288.416 3.712 20 0 CHADMN c1csc([C@H]2CN(CC3CCCCC3)CCO2)c1 ZINC000512229953 1121214471 /nfs/dbraw/zinc/21/44/71/1121214471.db2.gz UCLLVJLUXVECEY-CQSZACIVSA-N 0 1 265.422 3.702 20 0 CHADMN Cc1ccc(CN[C@@H]2COc3c2cccc3Cl)s1 ZINC000675104094 1121216570 /nfs/dbraw/zinc/21/65/70/1121216570.db2.gz OEQIWEOGQPCWMG-CYBMUJFWSA-N 0 1 279.792 3.933 20 0 CHADMN Cc1cnc(CN[C@H](C)Cc2ccc(C(C)C)cc2)o1 ZINC000638801740 1121222419 /nfs/dbraw/zinc/22/24/19/1121222419.db2.gz FMPLAHDCOPLJBE-CYBMUJFWSA-N 0 1 272.392 3.827 20 0 CHADMN Cc1ncncc1[C@H](C)NCc1ccc(Cl)c(Cl)c1 ZINC000658208765 1121224115 /nfs/dbraw/zinc/22/41/15/1121224115.db2.gz KNPCDRUMASLZAN-VIFPVBQESA-N 0 1 296.201 3.943 20 0 CHADMN CCC[C@@]1(NCc2csc(CCC(C)C)n2)CCOC1 ZINC000512264345 1121238098 /nfs/dbraw/zinc/23/80/98/1121238098.db2.gz VRNVWPSQNHOITD-MRXNPFEDSA-N 0 1 296.480 3.781 20 0 CHADMN Cc1occc1CNCc1ccc(F)c2cccnc12 ZINC000675237943 1121238410 /nfs/dbraw/zinc/23/84/10/1121238410.db2.gz MPRUPBRAFRSRFC-UHFFFAOYSA-N 0 1 270.307 3.565 20 0 CHADMN Fc1ccc(CNCc2ccc(Cl)o2)c2ncccc12 ZINC000675237343 1121238620 /nfs/dbraw/zinc/23/86/20/1121238620.db2.gz GOCIVXYXFZXCGV-UHFFFAOYSA-N 0 1 290.725 3.910 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccc(C2CC2)cc1F ZINC001213454771 1121239451 /nfs/dbraw/zinc/23/94/51/1121239451.db2.gz OFACFZORNNVWOL-UHFFFAOYSA-N 0 1 281.334 3.933 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1coc2ccccc21)C(F)(F)F ZINC000925842811 1121247230 /nfs/dbraw/zinc/24/72/30/1121247230.db2.gz BDNRUVMTWQELTC-ZANVPECISA-N 0 1 287.281 3.661 20 0 CHADMN C[C@@H]1CC[N@@H+](CCSCc2ccccc2)C[C@@H]1F ZINC000619166685 1128972510 /nfs/dbraw/zinc/97/25/10/1128972510.db2.gz VDFUFCWQJBJPAE-HIFRSBDPSA-N 0 1 267.413 3.600 20 0 CHADMN C[C@@H]1CCN(CCSCc2ccccc2)C[C@@H]1F ZINC000619166685 1128972513 /nfs/dbraw/zinc/97/25/13/1128972513.db2.gz VDFUFCWQJBJPAE-HIFRSBDPSA-N 0 1 267.413 3.600 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@H]1CC12CCC2 ZINC000675320515 1121251341 /nfs/dbraw/zinc/25/13/41/1121251341.db2.gz LKAHDPUKKHJPNQ-CYBMUJFWSA-N 0 1 295.386 3.959 20 0 CHADMN COc1cc(Nc2ccc3nc(C)oc3c2)ncc1C ZINC001213065998 1121258348 /nfs/dbraw/zinc/25/83/48/1121258348.db2.gz VXHGSXCRLRPKQG-UHFFFAOYSA-N 0 1 269.304 3.592 20 0 CHADMN Clc1ccccc1CN1CCC(c2ccon2)CC1 ZINC000662041837 1121258892 /nfs/dbraw/zinc/25/88/92/1121258892.db2.gz CUPVCUMBLQTTEG-UHFFFAOYSA-N 0 1 276.767 3.708 20 0 CHADMN Cc1oc2ccccc2c1CN[C@@H](C)c1cnn(C)c1C ZINC000123259564 1121264356 /nfs/dbraw/zinc/26/43/56/1121264356.db2.gz ADRJYZLDVDGQRY-NSHDSACASA-N 0 1 283.375 3.634 20 0 CHADMN Cc1ccc(F)cc1NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000007774572 1121271955 /nfs/dbraw/zinc/27/19/55/1121271955.db2.gz JXLPVVSWJZJFEA-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN CSc1cccc(N(C)C(=O)c2cn[nH]c2C(C)C)c1 ZINC000630890798 1128974024 /nfs/dbraw/zinc/97/40/24/1128974024.db2.gz UAUFRUDSJCOIBA-UHFFFAOYSA-N 0 1 289.404 3.532 20 0 CHADMN COC(=O)c1cc(CN2CCC[C@@H]2c2ccccc2)c(C)o1 ZINC000143230138 1121272503 /nfs/dbraw/zinc/27/25/03/1121272503.db2.gz GMAPGCXEUUEYSE-MRXNPFEDSA-N 0 1 299.370 3.712 20 0 CHADMN COC(=O)c1cc(CN(Cc2ccccc2)C2CC2)c(C)o1 ZINC000143250715 1121274272 /nfs/dbraw/zinc/27/42/72/1121274272.db2.gz HEQAXHMJLQTOOB-UHFFFAOYSA-N 0 1 299.370 3.539 20 0 CHADMN C[C@@H](O)C[C@H]1CCCCN1Cc1c(F)cccc1Cl ZINC000123843474 1121274874 /nfs/dbraw/zinc/27/48/74/1121274874.db2.gz JGCKMTIHVXSTOL-VXGBXAGGSA-N 0 1 285.790 3.605 20 0 CHADMN Cc1ccc2[nH]c(NCc3ccccc3F)nc2c1 ZINC000041603219 1121275513 /nfs/dbraw/zinc/27/55/13/1121275513.db2.gz YIUGABCEADBEJE-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN Cc1cc(Nc2cccc(O)c2F)c2ccccc2n1 ZINC001212545836 1121275618 /nfs/dbraw/zinc/27/56/18/1121275618.db2.gz REZXPJZKBGPFOM-UHFFFAOYSA-N 0 1 268.291 3.553 20 0 CHADMN C[C@H]1C[C@]1(NCc1ccncc1)c1ccc(Cl)cc1 ZINC000500463579 1121282478 /nfs/dbraw/zinc/28/24/78/1121282478.db2.gz QIFFJBVEHIJINF-BLLLJJGKSA-N 0 1 272.779 3.760 20 0 CHADMN C[C@@H]1CCN[C@@H](c2nc(-c3ccc4ccccc4c3)no2)C1 ZINC000319351980 1121288579 /nfs/dbraw/zinc/28/85/79/1121288579.db2.gz VSJHBQYGUXGYSE-MLGOLLRUSA-N 0 1 293.370 3.950 20 0 CHADMN C[C@@H]1CCN[C@H](c2nc(-c3ccc4ccccc4c3)no2)C1 ZINC000319351981 1121288724 /nfs/dbraw/zinc/28/87/24/1121288724.db2.gz VSJHBQYGUXGYSE-WBMJQRKESA-N 0 1 293.370 3.950 20 0 CHADMN CCCC[C@@H](CC)CCN1CCN(CC(F)(F)F)CC1 ZINC000437580582 1121291742 /nfs/dbraw/zinc/29/17/42/1121291742.db2.gz NTIVSTTZTBMFFP-CQSZACIVSA-N 0 1 294.405 3.773 20 0 CHADMN CCCC[C@H](CC)CCN1CCN(CC(F)(F)F)CC1 ZINC000437580581 1121292455 /nfs/dbraw/zinc/29/24/55/1121292455.db2.gz NTIVSTTZTBMFFP-AWEZNQCLSA-N 0 1 294.405 3.773 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000619213583 1128976099 /nfs/dbraw/zinc/97/60/99/1128976099.db2.gz IQBRIKGUKFKHSA-HUUCEWRRSA-N 0 1 297.402 3.518 20 0 CHADMN c1nc(CN2CCC[C@@]3(CCCc4ccccc43)C2)co1 ZINC000432728490 1121299360 /nfs/dbraw/zinc/29/93/60/1121299360.db2.gz CGIXEFMBKGDNLM-SFHVURJKSA-N 0 1 282.387 3.545 20 0 CHADMN CCN(CC)Cc1ccc(F)c(Cl)c1Cl ZINC000432737349 1121305350 /nfs/dbraw/zinc/30/53/50/1121305350.db2.gz CUWLJLZBHQJYCW-UHFFFAOYSA-N 0 1 250.144 3.974 20 0 CHADMN C[C@@H]1CN(Cc2c[nH]nc2C(C)(C)C)[C@@H]1c1ccccc1 ZINC000093867536 1128976690 /nfs/dbraw/zinc/97/66/90/1128976690.db2.gz IJUYHZQGWQLFRF-CJNGLKHVSA-N 0 1 283.419 3.900 20 0 CHADMN Cc1ccccc1Cc1noc(CN2CCC[C@H]2C(C)C)n1 ZINC000429816888 1121309174 /nfs/dbraw/zinc/30/91/74/1121309174.db2.gz IUNULNWDAPZBJG-INIZCTEOSA-N 0 1 299.418 3.589 20 0 CHADMN C[C@@H]1CCCCN1Cc1nc2ccc(F)cc2s1 ZINC000432744570 1121312125 /nfs/dbraw/zinc/31/21/25/1121312125.db2.gz KOQGZLYJWHABPN-SNVBAGLBSA-N 0 1 264.369 3.810 20 0 CHADMN CC1(C)C[C@@H](O)CN(Cc2c(Cl)oc3ccccc32)C1 ZINC001175411548 1121317545 /nfs/dbraw/zinc/31/75/45/1121317545.db2.gz SLPYFTONERMYMH-LLVKDONJSA-N 0 1 293.794 3.679 20 0 CHADMN Clc1ccc(CNCc2cccc3cccnc32)nc1 ZINC000703865388 1121317672 /nfs/dbraw/zinc/31/76/72/1121317672.db2.gz ALSZBYVUHGTWRX-UHFFFAOYSA-N 0 1 283.762 3.573 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000675483795 1121318631 /nfs/dbraw/zinc/31/86/31/1121318631.db2.gz DGJRYUNPFKYZRV-UHFFFAOYSA-N 0 1 297.280 3.552 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2ccc(C(F)(F)F)s2)C1 ZINC000432752688 1121318672 /nfs/dbraw/zinc/31/86/72/1121318672.db2.gz OBCUSFUVSIKRLY-IUCAKERBSA-N 0 1 263.328 3.997 20 0 CHADMN C[C@@H](N[C@H](CC1CC1)c1ccccc1)c1cn(C)cn1 ZINC000925866865 1121319844 /nfs/dbraw/zinc/31/98/44/1121319844.db2.gz ZPIPJJAKEQXEJS-CZUORRHYSA-N 0 1 269.392 3.612 20 0 CHADMN C[C@H](N[C@@H](CC1CC1)c1ccccc1)c1cn(C)cn1 ZINC000925866863 1121320982 /nfs/dbraw/zinc/32/09/82/1121320982.db2.gz ZPIPJJAKEQXEJS-BBRMVZONSA-N 0 1 269.392 3.612 20 0 CHADMN Cc1cc(Nc2cccc3c2cnn3C)c2ccccc2n1 ZINC001175432782 1121323490 /nfs/dbraw/zinc/32/34/90/1121323490.db2.gz VLIRWFSQZOFLDC-UHFFFAOYSA-N 0 1 288.354 3.595 20 0 CHADMN Cc1cc([C@@H](C)NCc2cc3ccccc3[nH]c2=O)c(C)o1 ZINC000124891177 1121326089 /nfs/dbraw/zinc/32/60/89/1121326089.db2.gz ITRMPFBRMGRDBH-GFCCVEGCSA-N 0 1 296.370 3.589 20 0 CHADMN Clc1cccc(CNCc2ccnn2CC2CCC2)c1 ZINC000631030647 1128980206 /nfs/dbraw/zinc/98/02/06/1128980206.db2.gz UOLLYCFOOPRLDC-UHFFFAOYSA-N 0 1 289.810 3.626 20 0 CHADMN Cc1ccc2cc(CNCc3ncccc3C)ccc2n1 ZINC000097861666 1121331156 /nfs/dbraw/zinc/33/11/56/1121331156.db2.gz SZDMVOMSUVHFQX-UHFFFAOYSA-N 0 1 277.371 3.536 20 0 CHADMN COc1cccc(CCCN(C)Cc2ncc(C)s2)c1 ZINC001139813631 1121336630 /nfs/dbraw/zinc/33/66/30/1121336630.db2.gz KDYLVVVGNKWNSL-UHFFFAOYSA-N 0 1 290.432 3.525 20 0 CHADMN COCc1ccc(CNCc2ccc(C(F)(F)F)cc2)o1 ZINC000125255098 1121345703 /nfs/dbraw/zinc/34/57/03/1121345703.db2.gz VICKVIGUKPYPQS-UHFFFAOYSA-N 0 1 299.292 3.735 20 0 CHADMN Cc1ccnc(F)c1NC1=CCN(Cc2ccccc2)CC1 ZINC001175504448 1121351309 /nfs/dbraw/zinc/35/13/09/1121351309.db2.gz BNMOFYUJFYNWAC-UHFFFAOYSA-N 0 1 297.377 3.731 20 0 CHADMN Cc1occc1CN[C@H]1CSCc2ccccc21 ZINC000675778954 1121355249 /nfs/dbraw/zinc/35/52/49/1121355249.db2.gz CGYPMLODXVCJKP-HNNXBMFYSA-N 0 1 259.374 3.666 20 0 CHADMN CC(C)(C)c1nc(CN2CCC=Cc3ccccc32)n[nH]1 ZINC000432798220 1121360730 /nfs/dbraw/zinc/36/07/30/1121360730.db2.gz HTYXKDJBDHCVGF-UHFFFAOYSA-N 0 1 282.391 3.526 20 0 CHADMN C[C@H](NCc1ccnn1CC1CCC1)c1ccccc1 ZINC000631032434 1128980050 /nfs/dbraw/zinc/98/00/50/1128980050.db2.gz CYRZIGXCVHHLNU-AWEZNQCLSA-N 0 1 269.392 3.534 20 0 CHADMN Cc1cnc([C@@H](C)N(C)C[C@H]2CCc3ccccc32)o1 ZINC000662197437 1121363027 /nfs/dbraw/zinc/36/30/27/1121363027.db2.gz JPGGVRTZBQBAEW-UKRRQHHQSA-N 0 1 270.376 3.706 20 0 CHADMN COc1ccc(C)cc1Nc1c2cn[nH]c2ccc1C ZINC001175525384 1121364448 /nfs/dbraw/zinc/36/44/48/1121364448.db2.gz DLTQMDWATHRKBV-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN COc1cccc(Nc2c3cn[nH]c3ccc2C)c1OC ZINC001175525684 1121365068 /nfs/dbraw/zinc/36/50/68/1121365068.db2.gz GBTRROKJWCSRIM-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN CCC(=O)Nc1cccc(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175525952 1121365656 /nfs/dbraw/zinc/36/56/56/1121365656.db2.gz LDZVWYVQVXMYBH-UHFFFAOYSA-N 0 1 294.358 3.963 20 0 CHADMN COc1c(F)cccc1Nc1c2cn[nH]c2ccc1C ZINC001175525348 1121366405 /nfs/dbraw/zinc/36/64/05/1121366405.db2.gz CBBVXCQZNIYROL-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1ccc(Nc2c3cn[nH]c3ccc2C)cc1O ZINC001175525493 1121366925 /nfs/dbraw/zinc/36/69/25/1121366925.db2.gz FBIYUNHBDNUXMI-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COc1cc(Nc2c3cn[nH]c3ccc2C)ccc1F ZINC001175526258 1121367115 /nfs/dbraw/zinc/36/71/15/1121367115.db2.gz QDUMYTPPYOUOON-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1ccc(CNCc2ccc(OC(C)C)nc2)c(F)c1 ZINC000631048057 1128980825 /nfs/dbraw/zinc/98/08/25/1128980825.db2.gz UZQCRBJGFCMMBR-UHFFFAOYSA-N 0 1 288.366 3.606 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1c(N)cc(F)cc1Cl ZINC001175526986 1121368301 /nfs/dbraw/zinc/36/83/01/1121368301.db2.gz FKROVLXCXCDCRC-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(O)c(Cl)c1 ZINC001175526339 1121369158 /nfs/dbraw/zinc/36/91/58/1121369158.db2.gz LYKDCZAITFJSKX-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1nc2ccccc2n1C ZINC001175526546 1121369493 /nfs/dbraw/zinc/36/94/93/1121369493.db2.gz YVNURLRTKCLIPY-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN CNc1cccc(C)c1Nc1c2cn[nH]c2ccc1C ZINC001175527548 1121370513 /nfs/dbraw/zinc/37/05/13/1121370513.db2.gz NZNVXWUOXBIXIE-UHFFFAOYSA-N 0 1 266.348 3.965 20 0 CHADMN Cc1nc(CN2CCC[C@@H](C3CCCCC3)C2)co1 ZINC000662200927 1121370886 /nfs/dbraw/zinc/37/08/86/1121370886.db2.gz JCAGGGNSMHTQHA-OAHLLOKOSA-N 0 1 262.397 3.775 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccccc1[C@H](C)O ZINC001175527405 1121371670 /nfs/dbraw/zinc/37/16/70/1121371670.db2.gz LQMVSTVALTUBLI-NSHDSACASA-N 0 1 267.332 3.668 20 0 CHADMN CN1CCC=C(Nc2ccc(OCC(C)(C)C)c(F)c2)C1 ZINC001175582511 1121372856 /nfs/dbraw/zinc/37/28/56/1121372856.db2.gz FRNDTWJSGZXTMG-UHFFFAOYSA-N 0 1 292.398 3.882 20 0 CHADMN CCCCOc1ccc(CN[C@@H](C)CF)cc1OCC ZINC000644891978 1121374264 /nfs/dbraw/zinc/37/42/64/1121374264.db2.gz NDQDRHLGXVEYDS-ZDUSSCGKSA-N 0 1 283.387 3.712 20 0 CHADMN Cc1cc(C[C@@H](C)N/C=C/c2ccc(Cl)cc2)on1 ZINC001175594037 1121376754 /nfs/dbraw/zinc/37/67/54/1121376754.db2.gz NHHSZVAICABXFI-WSKFYRRCSA-N 0 1 276.767 3.828 20 0 CHADMN CCOCCN(C)Cc1cc(-c2ccccc2)ccc1OC ZINC000500745982 1121378517 /nfs/dbraw/zinc/37/85/17/1121378517.db2.gz HCRKAODPIAGQJU-UHFFFAOYSA-N 0 1 299.414 3.831 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc(Cl)sc2Cl)n[nH]1 ZINC000675893298 1121378606 /nfs/dbraw/zinc/37/86/06/1121378606.db2.gz HSBJPTRFHCRTOU-ZETCQYMHSA-N 0 1 290.219 3.937 20 0 CHADMN c1nnc([C@H](Nc2ccc(C3CC3)cc2)c2ccccc2)[nH]1 ZINC000675899214 1121378857 /nfs/dbraw/zinc/37/88/57/1121378857.db2.gz NAICRJPVWGGPDD-QGZVFWFLSA-N 0 1 290.370 3.884 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2NCc1ccnn1CC1CCC1 ZINC000631054404 1128981561 /nfs/dbraw/zinc/98/15/61/1128981561.db2.gz OMJSBKLTXWXKLQ-GOSISDBHSA-N 0 1 299.393 3.599 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1Cc1n[nH]c(C(C)(C)C)n1 ZINC000432816137 1121379711 /nfs/dbraw/zinc/37/97/11/1121379711.db2.gz NHHBNSWHEWCYQR-HNNXBMFYSA-N 0 1 298.434 3.748 20 0 CHADMN CC[N@@H+](Cc1nccn1C1CC1)[C@@H](C)Cc1ccsc1 ZINC000893720204 1121380763 /nfs/dbraw/zinc/38/07/63/1121380763.db2.gz WQFHKCXOKUWULO-ZDUSSCGKSA-N 0 1 289.448 3.733 20 0 CHADMN CCN(Cc1nccn1C1CC1)[C@@H](C)Cc1ccsc1 ZINC000893720204 1121380770 /nfs/dbraw/zinc/38/07/70/1121380770.db2.gz WQFHKCXOKUWULO-ZDUSSCGKSA-N 0 1 289.448 3.733 20 0 CHADMN CCCC[C@@H](C)[C@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000675906007 1121387608 /nfs/dbraw/zinc/38/76/08/1121387608.db2.gz QIXYCQXCQJRKHV-KGLIPLIRSA-N 0 1 272.396 3.894 20 0 CHADMN Cn1nc(NC=CC(C)(C)C)c2ccc(Cl)nc21 ZINC001175569292 1121390518 /nfs/dbraw/zinc/39/05/18/1121390518.db2.gz ONUSXXGBAOOCOW-BQYQJAHWSA-N 0 1 264.760 3.593 20 0 CHADMN CC(C)(C)c1csc(CNCC2=CCCC2)n1 ZINC000705306869 1121396214 /nfs/dbraw/zinc/39/62/14/1121396214.db2.gz UGWMPLIMOANMIJ-UHFFFAOYSA-N 0 1 250.411 3.641 20 0 CHADMN COc1cc(Cl)c(Cl)cc1NC1=CCCN(C)C1 ZINC001175578036 1121396265 /nfs/dbraw/zinc/39/62/65/1121396265.db2.gz GXOOPHGFPJCBSQ-UHFFFAOYSA-N 0 1 287.190 3.633 20 0 CHADMN CN1CCC=C(Nc2cnc3cc(Cl)ccc3c2)C1 ZINC001175577721 1121397101 /nfs/dbraw/zinc/39/71/01/1121397101.db2.gz VYHAMWWOYLVCRB-UHFFFAOYSA-N 0 1 273.767 3.520 20 0 CHADMN CN(Cc1ccc(F)cc1F)[C@@H]1C[C@H]1c1ccccc1 ZINC000676043638 1121401763 /nfs/dbraw/zinc/40/17/63/1121401763.db2.gz KFDGXBBLIQBRDY-DOTOQJQBSA-N 0 1 273.326 3.953 20 0 CHADMN Cc1cc(C)n(CCN(Cc2ccccc2F)C(C)C)n1 ZINC000345073922 1121414278 /nfs/dbraw/zinc/41/42/78/1121414278.db2.gz UGZIDPXORABMKY-UHFFFAOYSA-N 0 1 289.398 3.550 20 0 CHADMN CCc1cccnc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175695384 1121414402 /nfs/dbraw/zinc/41/44/02/1121414402.db2.gz GTALPODZZHSAEO-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ncccc3Cl)cc12 ZINC001175693488 1121414688 /nfs/dbraw/zinc/41/46/88/1121414688.db2.gz APBRBJDUUBTUAN-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN CCc1nn(C)cc1CN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000245645126 1121415497 /nfs/dbraw/zinc/41/54/97/1121415497.db2.gz FNZFKDAVABVOAR-BBRMVZONSA-N 0 1 287.407 3.549 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(CC(C)C)no3)cc12 ZINC001175696516 1121416093 /nfs/dbraw/zinc/41/60/93/1121416093.db2.gz YXEGNNFZVDOREA-UHFFFAOYSA-N 0 1 270.336 3.801 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(O)c(F)c3F)cc12 ZINC001175698700 1121416102 /nfs/dbraw/zinc/41/61/02/1121416102.db2.gz BLNSQDBGOPTVNI-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4ocnc43)cc12 ZINC001175699334 1121416427 /nfs/dbraw/zinc/41/64/27/1121416427.db2.gz NHTPRBFEWUZCCB-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN CCOc1ncc(Nc2ccc3n[nH]c(C)c3c2)cc1F ZINC001175695796 1121416522 /nfs/dbraw/zinc/41/65/22/1121416522.db2.gz OCDAOPQIKNADFQ-UHFFFAOYSA-N 0 1 286.310 3.548 20 0 CHADMN CC(=O)Nc1ccccc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175698731 1121416698 /nfs/dbraw/zinc/41/66/98/1121416698.db2.gz CWEJOXKWZQCSFY-UHFFFAOYSA-N 0 1 280.331 3.573 20 0 CHADMN Cc1cnn(CC2CC2)c1Nc1ccc2n[nH]c(C)c2c1 ZINC001175699867 1121417631 /nfs/dbraw/zinc/41/76/31/1121417631.db2.gz UNCIGOOFYUMDKJ-UHFFFAOYSA-N 0 1 281.363 3.530 20 0 CHADMN Cc1[nH]nc2ccc(N(C)c3cc(Cl)ccc3N)cc12 ZINC001175699684 1121417707 /nfs/dbraw/zinc/41/77/07/1121417707.db2.gz BBNBDIUEBCZHPP-UHFFFAOYSA-N 0 1 286.766 3.875 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(C)nc(Cl)c3)cc12 ZINC001175699970 1121418219 /nfs/dbraw/zinc/41/82/19/1121418219.db2.gz ZAASKFKOTHHJFG-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(F)c(O)c(F)c3)cc12 ZINC001175699802 1121418332 /nfs/dbraw/zinc/41/83/32/1121418332.db2.gz FDDYFKVFRNHIKG-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccccc3C(C)(C)O)cc12 ZINC001175700584 1121418349 /nfs/dbraw/zinc/41/83/49/1121418349.db2.gz PBOJQXXYMOCGEG-UHFFFAOYSA-N 0 1 281.359 3.842 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc(-c4nnco4)c3)cc12 ZINC001175700158 1121418362 /nfs/dbraw/zinc/41/83/62/1121418362.db2.gz VTESNSZXUNVDQW-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4c(c3)OCC4)cc21 ZINC001175702635 1121420989 /nfs/dbraw/zinc/42/09/89/1121420989.db2.gz RIWFBHNWMHMXBH-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN Cc1[nH]nc2cc(Nc3nc(Cl)cnc3Cl)ccc12 ZINC001175656557 1121421734 /nfs/dbraw/zinc/42/17/34/1121421734.db2.gz IKIBJGNYQPFHBQ-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(Cl)nc3C)ccc12 ZINC001175656311 1121422380 /nfs/dbraw/zinc/42/23/80/1121422380.db2.gz FDGWCADBJFYGSG-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN CCOc1cc(C)ccc1NCc1[nH]nc2ccccc21 ZINC000676318518 1121423275 /nfs/dbraw/zinc/42/32/75/1121423275.db2.gz BNOZDEJKSDCPJG-UHFFFAOYSA-N 0 1 281.359 3.882 20 0 CHADMN Cc1cnn(C2CCC2)c1Nc1ccc2c(C)[nH]nc2c1 ZINC001175660908 1121424384 /nfs/dbraw/zinc/42/43/84/1121424384.db2.gz YRABNSYGVSJGCX-UHFFFAOYSA-N 0 1 281.363 3.845 20 0 CHADMN Cc1[nH]nc2cc(Nc3nc4ccc(F)cc4o3)ccc12 ZINC001175659607 1121424393 /nfs/dbraw/zinc/42/43/93/1121424393.db2.gz NJSSWUFYGKWETA-UHFFFAOYSA-N 0 1 282.278 3.895 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4c3cnn4C)ccc12 ZINC001175662465 1121426266 /nfs/dbraw/zinc/42/62/66/1121426266.db2.gz NJWGRJQZASHHDK-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN COC(=O)c1ccc(Nc2ccc3c(C)[nH]nc3c2)cc1F ZINC001175662539 1121426327 /nfs/dbraw/zinc/42/63/27/1121426327.db2.gz QXEROIOCBHZMRU-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN COC(=O)c1ccc(C)c(Nc2ccc3c(C)[nH]nc3c2)c1 ZINC001175662380 1121426442 /nfs/dbraw/zinc/42/64/42/1121426442.db2.gz JOGJYJYAONNNGQ-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4cn(C)nc43)ccc12 ZINC001175662232 1121426539 /nfs/dbraw/zinc/42/65/39/1121426539.db2.gz AOJOWDLXQFNWRD-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4nccnc43)ccc21 ZINC001175662475 1121426584 /nfs/dbraw/zinc/42/65/84/1121426584.db2.gz NYCYTDHYAYULBQ-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(O)ccc3Cl)ccc12 ZINC001175662742 1121427333 /nfs/dbraw/zinc/42/73/33/1121427333.db2.gz BSXWETWKGVBGPG-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1cc2c(ccc(N)c2F)n1-c1ccc2c(C)[nH]nc2c1 ZINC001175663367 1121427462 /nfs/dbraw/zinc/42/74/62/1121427462.db2.gz YNUCTQFLNBTLSB-UHFFFAOYSA-N 0 1 294.333 3.845 20 0 CHADMN CC(=O)c1cc(F)ccc1Nc1ccc2c(C)[nH]nc2c1 ZINC001175663021 1121427690 /nfs/dbraw/zinc/42/76/90/1121427690.db2.gz OLQWXKGPDWCKIV-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN Cc1[nH]nc2ccc(N3CCCc4cccc(N)c43)cc12 ZINC001175703005 1121428964 /nfs/dbraw/zinc/42/89/64/1121428964.db2.gz WRCPFJGIIGPZSS-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)CCC(C)(F)F)c2C)o1 ZINC000676397890 1121430870 /nfs/dbraw/zinc/43/08/70/1121430870.db2.gz WLCCRLOQGFBTCK-UHFFFAOYSA-N 0 1 297.305 3.660 20 0 CHADMN c1ccc([C@@H]2CCN2Cc2[nH]nc3ccccc32)cc1 ZINC000676414353 1121431841 /nfs/dbraw/zinc/43/18/41/1121431841.db2.gz WEXKDWDTORJHIZ-KRWDZBQOSA-N 0 1 263.344 3.510 20 0 CHADMN CN(Cc1cccc(O)c1)Cc1cnc2ccccc2c1 ZINC000676414443 1121433519 /nfs/dbraw/zinc/43/35/19/1121433519.db2.gz RMBIEYFIGLQMSR-UHFFFAOYSA-N 0 1 278.355 3.572 20 0 CHADMN Brc1ccncc1N=C1CCCCC1 ZINC001175752099 1121434961 /nfs/dbraw/zinc/43/49/61/1121434961.db2.gz JDZKOKJMELNIJY-UHFFFAOYSA-N 0 1 253.143 3.714 20 0 CHADMN Cc1[nH]nc(CN(C)Cc2ccc3ccccc3c2)c1C ZINC000893904496 1121435669 /nfs/dbraw/zinc/43/56/69/1121435669.db2.gz ACVAOPMHHBYISU-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN CCN(Cc1c[nH]c2ccccc12)Cc1cn(CC)nc1C ZINC000893907477 1121437377 /nfs/dbraw/zinc/43/73/77/1121437377.db2.gz LXFKNAURKRLLDD-UHFFFAOYSA-N 0 1 296.418 3.715 20 0 CHADMN CSC1CC(N[C@@H](c2ccco2)c2ccccc2)C1 ZINC000706741068 1121437612 /nfs/dbraw/zinc/43/76/12/1121437612.db2.gz FDLVGYXYSHLVAG-ZBCRRDGASA-N 0 1 273.401 3.853 20 0 CHADMN Cc1[nH]nc(CN2CCC[C@@H]2c2ccc(F)cc2)c1C ZINC000893917641 1121440027 /nfs/dbraw/zinc/44/00/27/1121440027.db2.gz DBNFOUNDNQGASE-MRXNPFEDSA-N 0 1 273.355 3.503 20 0 CHADMN Cc1n[nH]c(CN([C@@H](C)c2ccccc2)C2CC2)c1C ZINC000893927990 1121441468 /nfs/dbraw/zinc/44/14/68/1121441468.db2.gz KUOOKXNJRPZAOP-AWEZNQCLSA-N 0 1 269.392 3.752 20 0 CHADMN Cc1ccnc(N)c1CN(Cc1ccco1)C1CCCC1 ZINC000893936756 1121442819 /nfs/dbraw/zinc/44/28/19/1121442819.db2.gz SLNVIBJYJNOCCQ-UHFFFAOYSA-N 0 1 285.391 3.510 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3ccc(O)cc32)c(F)c1 ZINC000631175174 1128989597 /nfs/dbraw/zinc/98/95/97/1128989597.db2.gz LDAOLUYUDFNYGE-QGZVFWFLSA-N 0 1 271.335 3.617 20 0 CHADMN CCCN(Cc1n[nH]c(C)c1C)Cc1ccccc1F ZINC000893952697 1121446044 /nfs/dbraw/zinc/44/60/44/1121446044.db2.gz ROIKFXIBQQEIHC-UHFFFAOYSA-N 0 1 275.371 3.578 20 0 CHADMN CCN(Cc1ocnc1C)[C@@H](C)c1ccc(F)cc1 ZINC000893966032 1121447493 /nfs/dbraw/zinc/44/74/93/1121447493.db2.gz DVUNEDBMHDZEDJ-LBPRGKRZSA-N 0 1 262.328 3.705 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]2CCC[C@H]2C1)c1nc(C(C)(C)C)no1 ZINC000893971924 1121447877 /nfs/dbraw/zinc/44/78/77/1121447877.db2.gz OKKMPOMNFFJJIW-RVMXOQNASA-N 0 1 277.412 3.596 20 0 CHADMN CC(C)CC[C@H]1CCCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000473402975 1121450034 /nfs/dbraw/zinc/45/00/34/1121450034.db2.gz CBMTXANNWIGTKD-CQSZACIVSA-N 0 1 291.439 3.964 20 0 CHADMN CC(C)c1c[nH]c(CN(C)C[C@@H](C)c2ccccc2)n1 ZINC000893995486 1121451182 /nfs/dbraw/zinc/45/11/82/1121451182.db2.gz LWSVFWYTDKVYES-CQSZACIVSA-N 0 1 271.408 3.769 20 0 CHADMN Fc1ccc(/C=C/CNCc2ccc(Cl)o2)cc1 ZINC000676642175 1121452050 /nfs/dbraw/zinc/45/20/50/1121452050.db2.gz PFEJVURFGUNVBB-OWOJBTEDSA-N 0 1 265.715 3.875 20 0 CHADMN Cc1noc2ncc(CN3CCc4ccccc4[C@@H]3C)cc12 ZINC000894005911 1121454277 /nfs/dbraw/zinc/45/42/77/1121454277.db2.gz NRXITDUXSXSENR-ZDUSSCGKSA-N 0 1 293.370 3.651 20 0 CHADMN Cc1[nH]nc(CN(C)[C@@H](c2ccccc2)C(F)(F)F)c1C ZINC000894003110 1121454735 /nfs/dbraw/zinc/45/47/35/1121454735.db2.gz VAAQONIHJSGNFL-AWEZNQCLSA-N 0 1 297.324 3.762 20 0 CHADMN C[C@H]1CN(Cc2cc(C(F)(F)F)co2)C(C)(C)C1 ZINC001175758564 1121454938 /nfs/dbraw/zinc/45/49/38/1121454938.db2.gz QBAYMYPPAVISSL-SECBINFHSA-N 0 1 261.287 3.919 20 0 CHADMN COCc1cccc(CN(Cc2ccc(C)o2)C2CC2)c1 ZINC000676714194 1121458356 /nfs/dbraw/zinc/45/83/56/1121458356.db2.gz DRJRIOBXSKIBIH-UHFFFAOYSA-N 0 1 285.387 3.899 20 0 CHADMN C[C@H]1CN(Cc2ccc3oc(=O)oc3c2)[C@H]1c1ccccc1 ZINC000894085994 1121466823 /nfs/dbraw/zinc/46/68/23/1121466823.db2.gz XQPIOMXWWDDYGR-YVEFUNNKSA-N 0 1 295.338 3.579 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000708554121 1121468056 /nfs/dbraw/zinc/46/80/56/1121468056.db2.gz GCMVAPFTUPXZRN-CYBMUJFWSA-N 0 1 279.380 3.544 20 0 CHADMN CCc1ccccc1CCN1CCCC[C@H]1c1ncccn1 ZINC001175845907 1121471714 /nfs/dbraw/zinc/47/17/14/1121471714.db2.gz SBLGASKMBDGCEJ-SFHVURJKSA-N 0 1 295.430 3.809 20 0 CHADMN C[C@]12CCN(Cc3ccccc3Cl)C[C@H]1C2(F)F ZINC000428722631 1121472816 /nfs/dbraw/zinc/47/28/16/1121472816.db2.gz XPGYLQFRCJFYDX-OLZOCXBDSA-N 0 1 271.738 3.817 20 0 CHADMN CC[C@H](N[C@H](C)c1cn(C)cn1)c1ccc(Cl)cc1 ZINC000710007281 1121473493 /nfs/dbraw/zinc/47/34/93/1121473493.db2.gz PBVOKQJAOQLQJU-RISCZKNCSA-N 0 1 277.799 3.875 20 0 CHADMN Cc1ccc([C@@H](C)NCc2nn(C)c3ccccc23)cc1F ZINC000316183453 1121478420 /nfs/dbraw/zinc/47/84/20/1121478420.db2.gz ASGDWZNNJIZICN-CYBMUJFWSA-N 0 1 297.377 3.872 20 0 CHADMN CC(C)(C)c1nnc(CN2CCC3(CCCCC3)CC2)[nH]1 ZINC000432934955 1121485969 /nfs/dbraw/zinc/48/59/69/1121485969.db2.gz YFKQVTYUMKVHKS-UHFFFAOYSA-N 0 1 290.455 3.649 20 0 CHADMN COc1cncc(CNC(C)(C)c2ccccc2F)c1C ZINC000631143349 1128987609 /nfs/dbraw/zinc/98/76/09/1128987609.db2.gz SFFWIEHCVNNISO-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN CCCc1nc(C)c(CN2CCCC(F)(F)CC2)o1 ZINC000625773635 1121491190 /nfs/dbraw/zinc/49/11/90/1121491190.db2.gz YKJFUNHHAQDBQR-UHFFFAOYSA-N 0 1 272.339 3.557 20 0 CHADMN Cc1csc(CNCc2ccncc2Br)c1 ZINC000631148956 1128987843 /nfs/dbraw/zinc/98/78/43/1128987843.db2.gz GXEWERYAOJZVDI-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN Fc1cccc(Cl)c1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000625771154 1121493237 /nfs/dbraw/zinc/49/32/37/1121493237.db2.gz IBJZUCIJNVTQFL-MNOVXSKESA-N 0 1 285.815 3.949 20 0 CHADMN Cc1cc(C)c(NC(=O)CN(C)CC2CC(C)C2)c(C)c1 ZINC000929344925 1121494339 /nfs/dbraw/zinc/49/43/39/1121494339.db2.gz WBQVJCZSXJTAJH-UHFFFAOYSA-N 0 1 288.435 3.528 20 0 CHADMN CC[C@H](CN1CC[C@H]1c1ccc(Cl)cc1)OC ZINC000419223233 1121502381 /nfs/dbraw/zinc/50/23/81/1121502381.db2.gz YHRSTMMNBYDDNI-KGLIPLIRSA-N 0 1 253.773 3.512 20 0 CHADMN CC[C@H](CN1CC[C@@H]1c1ccc(Cl)cc1)OC ZINC000419223235 1121502433 /nfs/dbraw/zinc/50/24/33/1121502433.db2.gz YHRSTMMNBYDDNI-ZIAGYGMSSA-N 0 1 253.773 3.512 20 0 CHADMN Cc1scc(CN[C@H](c2ccccc2F)[C@H](C)O)c1C ZINC000631167687 1128988513 /nfs/dbraw/zinc/98/85/13/1128988513.db2.gz QBBYQTMFIYVMKG-ZBEGNZNMSA-N 0 1 293.407 3.716 20 0 CHADMN CSC[C@@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000429286829 1121508358 /nfs/dbraw/zinc/50/83/58/1121508358.db2.gz RNFVPLBAFNNBFU-LLVKDONJSA-N 0 1 271.376 3.540 20 0 CHADMN CC(F)(F)C(C)(C)C[NH2+]Cc1cccc([O-])c1Cl ZINC000711256450 1121512964 /nfs/dbraw/zinc/51/29/64/1121512964.db2.gz MWPTVTUEXXUOJY-UHFFFAOYSA-N 0 1 277.742 3.817 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNC2([C@@H]3CCCCO3)CC2)o1 ZINC000923028008 1121512993 /nfs/dbraw/zinc/51/29/93/1121512993.db2.gz REWQIHLRKNPJOY-XPKDYRNWSA-N 0 1 275.392 3.594 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@@]1(C)CCOc2ccccc21 ZINC000923023909 1121514429 /nfs/dbraw/zinc/51/44/29/1121514429.db2.gz FBUAMPPGJXCBTG-SFHVURJKSA-N 0 1 299.418 3.560 20 0 CHADMN c1cc(-c2ccc(Nc3ccc4nn[nH]c4c3)cc2)ccn1 ZINC001176002428 1121518304 /nfs/dbraw/zinc/51/83/04/1121518304.db2.gz NBYBANOGSHLTAI-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1cc(-c2ccc(Nc3ccc4n[nH]nc4c3)cc2)ccn1 ZINC001176002428 1121518305 /nfs/dbraw/zinc/51/83/05/1121518305.db2.gz NBYBANOGSHLTAI-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1c(Nc2ccc3nn[nH]c3c2)cc2cccccc1-2 ZINC001175998177 1121519378 /nfs/dbraw/zinc/51/93/78/1121519378.db2.gz FCZDHMAJCMBEPU-UHFFFAOYSA-N 0 1 260.300 3.806 20 0 CHADMN c1c(Nc2ccc3n[nH]nc3c2)cc2cccccc1-2 ZINC001175998177 1121519383 /nfs/dbraw/zinc/51/93/83/1121519383.db2.gz FCZDHMAJCMBEPU-UHFFFAOYSA-N 0 1 260.300 3.806 20 0 CHADMN c1cncc(-c2cccc(Nc3ccc4nn[nH]c4c3)c2)c1 ZINC001176006154 1121521536 /nfs/dbraw/zinc/52/15/36/1121521536.db2.gz VEEITIFOUCDCDJ-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1cncc(-c2cccc(Nc3ccc4n[nH]nc4c3)c2)c1 ZINC001176006154 1121521542 /nfs/dbraw/zinc/52/15/42/1121521542.db2.gz VEEITIFOUCDCDJ-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN Cc1ccc(Nc2ccc3nn[nH]c3c2)cc1Cl ZINC001176005907 1121521758 /nfs/dbraw/zinc/52/17/58/1121521758.db2.gz OOXLLIQRSIDGIP-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1ccc(Nc2ccc3n[nH]nc3c2)cc1Cl ZINC001176005907 1121521764 /nfs/dbraw/zinc/52/17/64/1121521764.db2.gz OOXLLIQRSIDGIP-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1ccnc2cc(Nc3ccc4nn[nH]c4c3)ccc12 ZINC001176005358 1121522639 /nfs/dbraw/zinc/52/26/39/1121522639.db2.gz XMYMZYRJUMNTRX-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1ccnc2cc(Nc3ccc4n[nH]nc4c3)ccc12 ZINC001176005358 1121522645 /nfs/dbraw/zinc/52/26/45/1121522645.db2.gz XMYMZYRJUMNTRX-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Clc1cc(Cl)c2nc(CN(C3CC3)C3CC3)cn2c1 ZINC000625837943 1121523609 /nfs/dbraw/zinc/52/36/09/1121523609.db2.gz SEMMWVLATGPLJW-UHFFFAOYSA-N 0 1 296.201 3.768 20 0 CHADMN C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccc(F)c(F)c1 ZINC000433024538 1121524369 /nfs/dbraw/zinc/52/43/69/1121524369.db2.gz DFBCEGOXFAOPTA-LLVKDONJSA-N 0 1 251.320 3.729 20 0 CHADMN OC1(CCN(Cc2ccco2)Cc2cccs2)CCC1 ZINC000411143159 1121524397 /nfs/dbraw/zinc/52/43/97/1121524397.db2.gz YOFWQJQRBXTXDD-UHFFFAOYSA-N 0 1 291.416 3.648 20 0 CHADMN Fc1cccc(CN(C2CC2)C2CC2)c1OC(F)F ZINC000625842096 1121525262 /nfs/dbraw/zinc/52/52/62/1121525262.db2.gz VHYVWBNMJDVMEO-UHFFFAOYSA-N 0 1 271.282 3.554 20 0 CHADMN CCCOc1ccc(CN(C)Cc2ccncc2)cc1 ZINC000543619100 1121527581 /nfs/dbraw/zinc/52/75/81/1121527581.db2.gz AYPLHTWVEVDXAV-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN CCc1ncc(CN[C@@](C)(CC)c2ccc(F)cc2)cn1 ZINC000631193324 1128991433 /nfs/dbraw/zinc/99/14/33/1128991433.db2.gz CREJLRFIYXHVBI-KRWDZBQOSA-N 0 1 287.382 3.593 20 0 CHADMN O=C([O-])c1csc(C[N@H+]2CCC[C@@H]2C2CCCCC2)c1 ZINC000711431301 1121530897 /nfs/dbraw/zinc/53/08/97/1121530897.db2.gz NCKOJOROZKPWRA-OAHLLOKOSA-N 0 1 293.432 3.991 20 0 CHADMN O=C([O-])c1csc(C[N@H+]2CCC[C@H]2C2CCCCC2)c1 ZINC000711431300 1121530984 /nfs/dbraw/zinc/53/09/84/1121530984.db2.gz NCKOJOROZKPWRA-HNNXBMFYSA-N 0 1 293.432 3.991 20 0 CHADMN C[C@@H](c1cccnc1)N(C)C/C=C\c1ccc(F)cc1 ZINC000543623610 1121532519 /nfs/dbraw/zinc/53/25/19/1121532519.db2.gz KRDMMWFECIQYHE-WSNITJDQSA-N 0 1 270.351 3.927 20 0 CHADMN CC(C)C[C@@H]1CCCCN1Cc1cn2ccsc2n1 ZINC000466676719 1121532963 /nfs/dbraw/zinc/53/29/63/1121532963.db2.gz HGTDCIGXOQKOHM-AWEZNQCLSA-N 0 1 277.437 3.796 20 0 CHADMN FC(F)(F)c1c(Nc2ncc[nH]2)cnc2ccccc21 ZINC001176081879 1121532995 /nfs/dbraw/zinc/53/29/95/1121532995.db2.gz IHHPGLRHMWBPRS-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccccc1C(C)(C)C ZINC000466676136 1121534277 /nfs/dbraw/zinc/53/42/77/1121534277.db2.gz KOSVTFWAJRCDNJ-OKILXGFUSA-N 0 1 288.435 3.795 20 0 CHADMN CCCN(CC1CCCCC1)[C@H](C)c1noc(C)n1 ZINC000411182013 1121535010 /nfs/dbraw/zinc/53/50/10/1121535010.db2.gz BGMPRYQRDRSUKY-GFCCVEGCSA-N 0 1 265.401 3.731 20 0 CHADMN Fc1cc(F)cc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)c1 ZINC001176086136 1121535408 /nfs/dbraw/zinc/53/54/08/1121535408.db2.gz CKSZONHKLXWZDA-QAPCUYQASA-N 0 1 285.337 3.738 20 0 CHADMN Cc1ccc(Nc2ccnn2-c2ccncc2)c(F)c1F ZINC001176094489 1121539065 /nfs/dbraw/zinc/53/90/65/1121539065.db2.gz HSCUONAUHPRWAO-UHFFFAOYSA-N 0 1 286.285 3.598 20 0 CHADMN CCc1nnc([C@H](C)N2CCC[C@H](c3ccccc3)C2)o1 ZINC000433051862 1121540269 /nfs/dbraw/zinc/54/02/69/1121540269.db2.gz JESRCFONUFIIKZ-ZFWWWQNUSA-N 0 1 285.391 3.573 20 0 CHADMN Cc1cnc(C[N@H+]2CCC[C@H](c3ccccc3)C2)s1 ZINC000433054809 1121540689 /nfs/dbraw/zinc/54/06/89/1121540689.db2.gz CHXQALLVUVZPRN-HNNXBMFYSA-N 0 1 272.417 3.831 20 0 CHADMN Cc1cnc(CN2CCC[C@H](c3ccccc3)C2)s1 ZINC000433054809 1121540694 /nfs/dbraw/zinc/54/06/94/1121540694.db2.gz CHXQALLVUVZPRN-HNNXBMFYSA-N 0 1 272.417 3.831 20 0 CHADMN CC(C)(C)c1nc(CNC[C@H]2CCC3(CCC3)O2)cs1 ZINC000711484097 1121541572 /nfs/dbraw/zinc/54/15/72/1121541572.db2.gz IJTVEHDHDFATIT-CYBMUJFWSA-N 0 1 294.464 3.632 20 0 CHADMN C[C@H](c1ccco1)N(C)C[C@H]1CCCC2(CCC2)O1 ZINC000929369958 1121542007 /nfs/dbraw/zinc/54/20/07/1121542007.db2.gz MBAXYZXYWQSTNE-ZIAGYGMSSA-N 0 1 263.381 3.764 20 0 CHADMN Cc1scc(CNCc2cnc(C3CC3)s2)c1C ZINC000631207483 1128992520 /nfs/dbraw/zinc/99/25/20/1128992520.db2.gz UYJLXUNECZUFSX-UHFFFAOYSA-N 0 1 278.446 3.989 20 0 CHADMN FC(F)(F)CCc1ccccc1NCc1cnc[nH]1 ZINC000894111733 1121553587 /nfs/dbraw/zinc/55/35/87/1121553587.db2.gz AZPSTXLHUIIHDX-UHFFFAOYSA-N 0 1 269.270 3.517 20 0 CHADMN CCn1ccc(CN(C)Cc2ccc(C(C)C)nc2C)c1 ZINC000645129546 1121555505 /nfs/dbraw/zinc/55/55/05/1121555505.db2.gz XSTOIVYIXQQBQJ-UHFFFAOYSA-N 0 1 285.435 3.967 20 0 CHADMN Cc1cc(C)cc(CNCc2cc(C)cc(Cl)n2)c1 ZINC000800284829 1121559900 /nfs/dbraw/zinc/55/99/00/1121559900.db2.gz PXLDDOAGEKHDCE-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN FC(F)(F)CCc1ccc(NCc2cnc[nH]2)cc1 ZINC000894115832 1121561318 /nfs/dbraw/zinc/56/13/18/1121561318.db2.gz HOTXFJWHVKPVSL-UHFFFAOYSA-N 0 1 269.270 3.517 20 0 CHADMN Cc1ncn(-c2ccc(OC(C)C)cc2C(F)(F)F)c1N ZINC001176172702 1121563019 /nfs/dbraw/zinc/56/30/19/1121563019.db2.gz MOYSLUPFZICIST-UHFFFAOYSA-N 0 1 299.296 3.569 20 0 CHADMN c1ncc(CNc2ccc(-c3cnc(C4CC4)o3)cc2)[nH]1 ZINC000894120516 1121567781 /nfs/dbraw/zinc/56/77/81/1121567781.db2.gz NCSDJLQJXPKSQD-UHFFFAOYSA-N 0 1 280.331 3.554 20 0 CHADMN CCC(C)(C)CN[C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000429418821 1121572516 /nfs/dbraw/zinc/57/25/16/1121572516.db2.gz RKHFYTPILRXIPF-MRXNPFEDSA-N 0 1 289.398 3.674 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000923468533 1121576889 /nfs/dbraw/zinc/57/68/89/1121576889.db2.gz BGEXJGHOYMHDFV-WMLDXEAASA-N 0 1 281.440 3.780 20 0 CHADMN COc1cccc2c1CN(CCCCC1CCOCC1)C2 ZINC000626022712 1121581268 /nfs/dbraw/zinc/58/12/68/1121581268.db2.gz GMSANNPSBPAXOW-UHFFFAOYSA-N 0 1 289.419 3.608 20 0 CHADMN COc1cccc2c1CN(CC1CCC(F)(F)CC1)C2 ZINC000626023963 1121581876 /nfs/dbraw/zinc/58/18/76/1121581876.db2.gz XFGHDAYYQVVUQU-UHFFFAOYSA-N 0 1 281.346 3.836 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccccc2C)nc1 ZINC000631248099 1128995004 /nfs/dbraw/zinc/99/50/04/1128995004.db2.gz FVYPASUYCCPXKH-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN Cc1ccc(C[NH+]2CCN([C@@H](C)c3ccccc3)CC2)cc1 ZINC001204171695 1121585461 /nfs/dbraw/zinc/58/54/61/1121585461.db2.gz PNKBYOILIOSHHJ-SFHVURJKSA-N 0 1 294.442 3.874 20 0 CHADMN CC(C)C[C@@H]1CCN(Cc2cc(-c3ccco3)on2)C1 ZINC000466736997 1121587197 /nfs/dbraw/zinc/58/71/97/1121587197.db2.gz BSTUFRKOKIMEBB-ZDUSSCGKSA-N 0 1 274.364 3.803 20 0 CHADMN COc1cc(-c2ccccc2)ccc1CN(C)[C@H]1CCOC1 ZINC000512774493 1121590003 /nfs/dbraw/zinc/59/00/03/1121590003.db2.gz XYWUFBFSQXSTOX-SFHVURJKSA-N 0 1 297.398 3.583 20 0 CHADMN CC(C)C[C@@H]1CCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000466743546 1121594475 /nfs/dbraw/zinc/59/44/75/1121594475.db2.gz OMJGLVJPRCKAAX-AWEZNQCLSA-N 0 1 285.391 3.605 20 0 CHADMN CC(C)c1nnc(C[N@H+](C)C2CCC(C(C)C)CC2)o1 ZINC000433170275 1121603899 /nfs/dbraw/zinc/60/38/99/1121603899.db2.gz VOGYWCDCBNNRRP-UHFFFAOYSA-N 0 1 279.428 3.840 20 0 CHADMN CC(C)c1nnc(CN(C)C2CCC(C(C)C)CC2)o1 ZINC000433170275 1121603905 /nfs/dbraw/zinc/60/39/05/1121603905.db2.gz VOGYWCDCBNNRRP-UHFFFAOYSA-N 0 1 279.428 3.840 20 0 CHADMN CCc1ccccc1C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135042531 1121604316 /nfs/dbraw/zinc/60/43/16/1121604316.db2.gz WOAHKSXYLBULBQ-INIZCTEOSA-N 0 1 289.419 3.572 20 0 CHADMN CCOC1CC2(C1)CCN([C@@H](C)c1cc(F)ccc1F)C2 ZINC000512831676 1121614962 /nfs/dbraw/zinc/61/49/62/1121614962.db2.gz FBTIXYXEMPEZBD-MKQDKFQKSA-N 0 1 295.373 3.917 20 0 CHADMN c1nc(C2CC2)c(CNCc2cnc3ccccc3c2)s1 ZINC000486965365 1121615858 /nfs/dbraw/zinc/61/58/58/1121615858.db2.gz JDJSCABDWIYLCA-UHFFFAOYSA-N 0 1 295.411 3.859 20 0 CHADMN CC[C@H](C[N@H+]1CCC[C@H]1c1ccc(F)cc1F)OC ZINC000419283392 1121618735 /nfs/dbraw/zinc/61/87/35/1121618735.db2.gz NARGEDFWLFBVQQ-DOMZBBRYSA-N 0 1 269.335 3.527 20 0 CHADMN Oc1cccc2c1CC[C@@H]2NCc1scnc1C1CC1 ZINC000487311529 1121619118 /nfs/dbraw/zinc/61/91/18/1121619118.db2.gz PLTKVJJRZIIVSC-ZDUSSCGKSA-N 0 1 286.400 3.503 20 0 CHADMN Cc1ccnc(CNC(C)(C)c2ccccc2C)c1 ZINC000645197175 1121622854 /nfs/dbraw/zinc/62/28/54/1121622854.db2.gz HYAJQPNUCQOBQF-UHFFFAOYSA-N 0 1 254.377 3.723 20 0 CHADMN Cc1ccc(CN[C@@]2(C)CCOc3ccccc32)cc1F ZINC001176423271 1121631644 /nfs/dbraw/zinc/63/16/44/1121631644.db2.gz UXPKSHGXFXREEC-SFHVURJKSA-N 0 1 285.362 3.922 20 0 CHADMN C[C@@H](NCCSCc1ccccc1)c1cscn1 ZINC000611248297 1121632625 /nfs/dbraw/zinc/63/26/25/1121632625.db2.gz NMHKWNOYOXTZQG-GFCCVEGCSA-N 0 1 278.446 3.727 20 0 CHADMN Cn1cccc1CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000268121377 1121636760 /nfs/dbraw/zinc/63/67/60/1121636760.db2.gz MLJYYTIRXXCFAW-INIZCTEOSA-N 0 1 282.387 3.561 20 0 CHADMN CCCCOc1ccc(Nc2ccncc2)c(F)c1F ZINC001176520844 1121643177 /nfs/dbraw/zinc/64/31/77/1121643177.db2.gz SFLDFBOHKLCAGZ-UHFFFAOYSA-N 0 1 278.302 3.704 20 0 CHADMN CCCC[C@H](CC)CN[C@](C)(c1noc(C)n1)C1CC1 ZINC000433308813 1121645491 /nfs/dbraw/zinc/64/54/91/1121645491.db2.gz VPGFHXSTQKTUJJ-BBRMVZONSA-N 0 1 279.428 3.809 20 0 CHADMN Cc1ccc(C)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)[nH+]1 ZINC001176584961 1121648223 /nfs/dbraw/zinc/64/82/23/1121648223.db2.gz VTEBTMLTKHPFDX-UHFFFAOYSA-N 0 1 282.343 3.558 20 0 CHADMN Cc1ccc(CN2CCc3cc(F)ccc3C2)cc1 ZINC001204174163 1121649268 /nfs/dbraw/zinc/64/92/68/1121649268.db2.gz IKJDVAVTZYKHNA-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN CC(C)CSCCCNCc1ncc(Cl)s1 ZINC000336683637 1121651016 /nfs/dbraw/zinc/65/10/16/1121651016.db2.gz SKGUZLKGMKKLCD-UHFFFAOYSA-N 0 1 278.874 3.665 20 0 CHADMN CCCc1noc(CN(C)[C@H]2CCC[C@H]2C(C)(C)C)n1 ZINC000419322515 1121655128 /nfs/dbraw/zinc/65/51/28/1121655128.db2.gz HPFBPEXYNSWOOV-OLZOCXBDSA-N 0 1 279.428 3.669 20 0 CHADMN CCOC1(C)CCN(Cc2ccc(OC)cc2Cl)CC1 ZINC000428752227 1121657287 /nfs/dbraw/zinc/65/72/87/1121657287.db2.gz OILWRSZYSUWQGG-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN Cc1nc2ccccn2c1CN(C)Cc1cccc(C)c1C ZINC000428750423 1121657670 /nfs/dbraw/zinc/65/76/70/1121657670.db2.gz PQQBMIILWQGNJT-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN C[C@@H](NCc1ccccn1)c1ccc(Br)cc1 ZINC000019957181 1121661019 /nfs/dbraw/zinc/66/10/19/1121661019.db2.gz FOHNPJCOPVTASK-LLVKDONJSA-N 0 1 291.192 3.695 20 0 CHADMN CC(C)n1ncnc1CN(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419335198 1121664144 /nfs/dbraw/zinc/66/41/44/1121664144.db2.gz OCCIGZIOHSAQKK-ZIAGYGMSSA-N 0 1 278.444 3.506 20 0 CHADMN CC(C)(C)Oc1ccc(-n2c(N)nc3ccccc32)cc1 ZINC001176637497 1121665513 /nfs/dbraw/zinc/66/55/13/1121665513.db2.gz PTHUYXNSJLNVBE-UHFFFAOYSA-N 0 1 281.359 3.785 20 0 CHADMN c1cc(-c2ccccc2)sc1C[N@H+]1CCCOCC1 ZINC000510501849 1121668859 /nfs/dbraw/zinc/66/88/59/1121668859.db2.gz MAVIIJAUPBXSST-UHFFFAOYSA-N 0 1 273.401 3.637 20 0 CHADMN CC(C)(C)N1CC(Oc2cccc3ccccc32)C1 ZINC001225266221 1121674107 /nfs/dbraw/zinc/67/41/07/1121674107.db2.gz DAJVAYLHSCTKES-UHFFFAOYSA-N 0 1 255.361 3.701 20 0 CHADMN Cc1ccc(-c2nc(CN(C)CC3CC3)cs2)o1 ZINC000052128477 1121677592 /nfs/dbraw/zinc/67/75/92/1121677592.db2.gz JASWOFVRTTXHJF-UHFFFAOYSA-N 0 1 262.378 3.553 20 0 CHADMN Cn1ccnc1NC=Cc1ccc(C(F)(F)F)cc1 ZINC001176660346 1121677653 /nfs/dbraw/zinc/67/76/53/1121677653.db2.gz LPWZAVGMMVTSED-VOTSOKGWSA-N 0 1 267.254 3.522 20 0 CHADMN CC(C)OCCOc1ccc(CN2CCCC2)c(Cl)c1 ZINC000664102501 1121678844 /nfs/dbraw/zinc/67/88/44/1121678844.db2.gz XHZBHNOVJDCNLT-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN CCC1CCC(N(Cc2cc(C)on2)C2CC2)CC1 ZINC000052103606 1121678909 /nfs/dbraw/zinc/67/89/09/1121678909.db2.gz YNLAEYLNCVBLFR-UHFFFAOYSA-N 0 1 262.397 3.916 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccccc2C)no1 ZINC000052212692 1121679156 /nfs/dbraw/zinc/67/91/56/1121679156.db2.gz BOAOVPBBHINXBN-MRXNPFEDSA-N 0 1 256.349 3.629 20 0 CHADMN COc1cccc(CN(Cc2ccccc2OC)C2CC2)c1 ZINC000052182589 1121680740 /nfs/dbraw/zinc/68/07/40/1121680740.db2.gz VRNNYRKHXCRQLV-UHFFFAOYSA-N 0 1 297.398 3.868 20 0 CHADMN CCC1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000052279528 1121682014 /nfs/dbraw/zinc/68/20/14/1121682014.db2.gz KTHDSJFLARGYOM-UHFFFAOYSA-N 0 1 285.391 3.667 20 0 CHADMN Cc1ncn(-c2ccc(C3CCCCC3)cc2)c1N ZINC001176730722 1121683610 /nfs/dbraw/zinc/68/36/10/1121683610.db2.gz MJJJXYNNDRTZMD-UHFFFAOYSA-N 0 1 255.365 3.811 20 0 CHADMN COc1ccc(-c2nc(CN(C)CC3CC3)cs2)cc1 ZINC000052128307 1121690435 /nfs/dbraw/zinc/69/04/35/1121690435.db2.gz RSZJFZUSLVMRNT-UHFFFAOYSA-N 0 1 288.416 3.661 20 0 CHADMN CN(Cc1coc(-c2cccc(Cl)c2)n1)CC1CC1 ZINC000052128366 1121690949 /nfs/dbraw/zinc/69/09/49/1121690949.db2.gz SFPMWXVDWFDIAE-UHFFFAOYSA-N 0 1 276.767 3.837 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)C[C@@H]1CCCCO1 ZINC000052162689 1121692424 /nfs/dbraw/zinc/69/24/24/1121692424.db2.gz NDUQNDYHJSJGOB-OLZOCXBDSA-N 0 1 267.800 3.902 20 0 CHADMN F[C@@H]1CCCN(C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC001176808275 1121694830 /nfs/dbraw/zinc/69/48/30/1121694830.db2.gz HHBMDPIYZXAINK-CABCVRRESA-N 0 1 269.404 3.692 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1CC(=O)Nc1ccccc1 ZINC000052212933 1121694968 /nfs/dbraw/zinc/69/49/68/1121694968.db2.gz NWKCVKHDHZWVDJ-GOSISDBHSA-N 0 1 294.398 3.771 20 0 CHADMN COc1cccc2cc(CN3CCC(F)(F)[C@H](C)C3)oc21 ZINC000811513021 1121697529 /nfs/dbraw/zinc/69/75/29/1121697529.db2.gz VFMVZEGYUXGAIK-LLVKDONJSA-N 0 1 295.329 3.919 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ncccc2C)cc(Cl)n1 ZINC001176896200 1121702455 /nfs/dbraw/zinc/70/24/55/1121702455.db2.gz FDOXHHPJQWTNBE-LBPRGKRZSA-N 0 1 275.783 3.598 20 0 CHADMN Cc1cc(C)c2c(c1)CCN(Cc1cnn(C(C)(C)C)c1)C2 ZINC001177033695 1121703552 /nfs/dbraw/zinc/70/35/52/1121703552.db2.gz POLIIMSCRHBGAT-UHFFFAOYSA-N 0 1 297.446 3.813 20 0 CHADMN CCCC[N@@H+](C)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000211580540 1121703744 /nfs/dbraw/zinc/70/37/44/1121703744.db2.gz ZZIKPXZPKUPUFX-LBPRGKRZSA-N 0 1 290.190 3.851 20 0 CHADMN Cc1ccc2nc(CN3CCC[C@@H]3c3ccccc3)cn2c1 ZINC000054670013 1121704067 /nfs/dbraw/zinc/70/40/67/1121704067.db2.gz DAVBWMUUZFNWPQ-GOSISDBHSA-N 0 1 291.398 3.980 20 0 CHADMN CC[C@H](C(=O)N(CC(C)C)c1ccc(C)cc1C)N(C)C ZINC001165263068 1121705661 /nfs/dbraw/zinc/70/56/61/1121705661.db2.gz YOKCFBYHWSTKSV-MRXNPFEDSA-N 0 1 290.451 3.633 20 0 CHADMN CN(C(=O)[C@H](N)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000237077911 1121714420 /nfs/dbraw/zinc/71/44/20/1121714420.db2.gz PRZVQAMWYQYJCH-QGZVFWFLSA-N 0 1 296.414 3.647 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NC(=O)c1cccc2nc[nH]c21 ZINC001177321889 1121724192 /nfs/dbraw/zinc/72/41/92/1121724192.db2.gz MUHLCTVLSLRXEG-NSHDSACASA-N 0 1 297.333 3.501 20 0 CHADMN COCCCCN(C)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000419388590 1121730931 /nfs/dbraw/zinc/73/09/31/1121730931.db2.gz SEKAOGTZUBAURY-AWEZNQCLSA-N 0 1 288.391 3.761 20 0 CHADMN CCc1cccc(F)c1CN[C@H]1CN(C)Cc2ccccc21 ZINC000527523768 1121733296 /nfs/dbraw/zinc/73/32/96/1121733296.db2.gz COUQCTGINQWIJE-IBGZPJMESA-N 0 1 298.405 3.664 20 0 CHADMN CC(C)N(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000058337982 1121743828 /nfs/dbraw/zinc/74/38/28/1121743828.db2.gz JMQGECDHZZJVPC-UHFFFAOYSA-N 0 1 298.386 3.758 20 0 CHADMN C[C@]1(F)CCCN(Cc2c(F)cccc2F)CC1 ZINC001204202621 1121747101 /nfs/dbraw/zinc/74/71/01/1121747101.db2.gz JPVITZNVWURBKE-AWEZNQCLSA-N 0 1 257.299 3.679 20 0 CHADMN Cc1ccccc1OCCCNCc1nc2ccccc2o1 ZINC001177779217 1121748861 /nfs/dbraw/zinc/74/88/61/1121748861.db2.gz FAKRSAUBAZRZIR-UHFFFAOYSA-N 0 1 296.370 3.695 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)C(C)(C)C)c1ncc[nH]1 ZINC000285528355 1121761987 /nfs/dbraw/zinc/76/19/87/1121761987.db2.gz FGHSVLNONHPFPE-OCCSQVGLSA-N 0 1 257.381 3.848 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@H]2c2ccccc2)no1 ZINC000285615154 1121763542 /nfs/dbraw/zinc/76/35/42/1121763542.db2.gz KBZNDUPWGJGSHR-WBMJQRKESA-N 0 1 256.349 3.566 20 0 CHADMN C[C@H]1CCN(Cc2ccc(F)cc2F)CCC1(F)F ZINC001204208497 1121764153 /nfs/dbraw/zinc/76/41/53/1121764153.db2.gz RGJNVDGWNOQSQA-JTQLQIEISA-N 0 1 275.289 3.832 20 0 CHADMN C[C@@H](NCc1ccnn1C)c1ccc(C2CCC2)cc1 ZINC000631567403 1129007648 /nfs/dbraw/zinc/00/76/48/1129007648.db2.gz ZJEJKOZNGLDAME-CYBMUJFWSA-N 0 1 269.392 3.538 20 0 CHADMN Cn1cccc1[C@H]1CCCCN1C[C@H]1CC1(Cl)Cl ZINC000747531206 1121770429 /nfs/dbraw/zinc/77/04/29/1121770429.db2.gz GAUZJIOPINJCLZ-DGCLKSJQSA-N 0 1 287.234 3.746 20 0 CHADMN Cc1cc2cc([C@H](C)NCc3cncn3C)oc2cc1C ZINC000289572063 1121771409 /nfs/dbraw/zinc/77/14/09/1121771409.db2.gz AYKCFVAPNWZCMR-ZDUSSCGKSA-N 0 1 283.375 3.634 20 0 CHADMN C[C@@H](NCc1cncn1C)c1cc(Cl)cc(Cl)c1 ZINC000289893041 1121773936 /nfs/dbraw/zinc/77/39/36/1121773936.db2.gz SSCFWEOUDUWPFN-SECBINFHSA-N 0 1 284.190 3.578 20 0 CHADMN C[C@@H]1CCN(Cc2cc(F)ccc2F)CCC1(F)F ZINC001204214307 1121776145 /nfs/dbraw/zinc/77/61/45/1121776145.db2.gz WANWVQMHYWNJQB-SNVBAGLBSA-N 0 1 275.289 3.832 20 0 CHADMN CCCC=CC(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 ZINC000729339369 1121777786 /nfs/dbraw/zinc/77/77/86/1121777786.db2.gz XCFJCULTFQXGGF-POHAHGRESA-N 0 1 283.375 3.988 20 0 CHADMN COc1ccnc(NCc2ccc(C3CCC3)cc2)c1 ZINC001178383237 1121782544 /nfs/dbraw/zinc/78/25/44/1121782544.db2.gz YGYGHPWFKYXCQT-UHFFFAOYSA-N 0 1 268.360 3.970 20 0 CHADMN S=c1ncccn1CN1CCC[C@H](Cc2ccccc2)C1 ZINC000729985201 1121788994 /nfs/dbraw/zinc/78/89/94/1121788994.db2.gz KFBYBDOAAVFOKL-MRXNPFEDSA-N 0 1 299.443 3.525 20 0 CHADMN C[C@@H](Nc1ncnc2[nH]cnc21)c1csc2ccccc12 ZINC000729986602 1121789800 /nfs/dbraw/zinc/78/98/00/1121789800.db2.gz NDBBSWGZZROXDG-SECBINFHSA-N 0 1 295.371 3.741 20 0 CHADMN C[C@@H]1C[C@H](C)N1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878533291 1121790157 /nfs/dbraw/zinc/79/01/57/1121790157.db2.gz MSEHEQWQKUFQPP-RWEMILLDSA-N 0 1 274.191 3.510 20 0 CHADMN Cc1ccc(CN(Cc2ocnc2C)C(C)C)s1 ZINC001119507218 1121792336 /nfs/dbraw/zinc/79/23/36/1121792336.db2.gz APUYURWJMAAQOH-UHFFFAOYSA-N 0 1 264.394 3.764 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152884699 1129009616 /nfs/dbraw/zinc/00/96/16/1129009616.db2.gz HCNZLUNUIBYONW-UPJWGTAASA-N 0 1 262.397 3.765 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000152884699 1129009619 /nfs/dbraw/zinc/00/96/19/1129009619.db2.gz HCNZLUNUIBYONW-UPJWGTAASA-N 0 1 262.397 3.765 20 0 CHADMN CCC[C@@H](C)[N@@H+](C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430013757 1121795743 /nfs/dbraw/zinc/79/57/43/1121795743.db2.gz RGHQDRNMTGKMNV-CQSZACIVSA-N 0 1 299.418 3.773 20 0 CHADMN CCCN(C)CC(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000730283730 1121799699 /nfs/dbraw/zinc/79/96/99/1121799699.db2.gz NVCMZKGNYMKEQB-UHFFFAOYSA-N 0 1 294.464 3.858 20 0 CHADMN CC[C@@H]1CCC[C@H](CNc2cccc3[nH]nnc32)C1 ZINC001178748640 1121811412 /nfs/dbraw/zinc/81/14/12/1121811412.db2.gz VTBBURRUESHWDE-NEPJUHHUSA-N 0 1 258.369 3.586 20 0 CHADMN CC[C@@H]1CCC[C@@H](CNc2cccc3[nH]nnc32)C1 ZINC001178748645 1121811494 /nfs/dbraw/zinc/81/14/94/1121811494.db2.gz VTBBURRUESHWDE-VXGBXAGGSA-N 0 1 258.369 3.586 20 0 CHADMN Cc1cc(CNc2cc(C)cc3ccccc32)n[nH]1 ZINC001178754848 1121812791 /nfs/dbraw/zinc/81/27/91/1121812791.db2.gz XLRVICWPVNHWQS-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN c1oc2ccccc2c1CNCc1cc2cccnc2o1 ZINC001178783675 1121815654 /nfs/dbraw/zinc/81/56/54/1121815654.db2.gz XQBHPHLNDNJPHW-UHFFFAOYSA-N 0 1 278.311 3.864 20 0 CHADMN Cc1cc(CNCc2cc3cc(F)ccc3o2)cc(C)n1 ZINC001178977917 1121831432 /nfs/dbraw/zinc/83/14/32/1121831432.db2.gz RUDGGAHYTIKCLO-UHFFFAOYSA-N 0 1 284.334 3.874 20 0 CHADMN Cc1oc2ccccc2c1CNCc1ccc(F)nc1 ZINC000189183482 1129016780 /nfs/dbraw/zinc/01/67/80/1129016780.db2.gz NDIFTNKKSVYRGA-UHFFFAOYSA-N 0 1 270.307 3.565 20 0 CHADMN Cc1cc(F)ccc1CN[C@H]1C[C@@]1(F)c1ccccc1 ZINC001178998614 1121838936 /nfs/dbraw/zinc/83/89/36/1121838936.db2.gz PFBPAJDDXLUNAZ-DLBZAZTESA-N 0 1 273.326 3.861 20 0 CHADMN F[C@@]1(c2ccccc2)C[C@@H]1NCc1cccc2cnccc21 ZINC001178998921 1121839357 /nfs/dbraw/zinc/83/93/57/1121839357.db2.gz UCXNSFBUTPZVCO-RBUKOAKNSA-N 0 1 292.357 3.962 20 0 CHADMN C[C@H](O)[C@H](NC/C=C/c1ccccc1)c1ccccc1F ZINC001179082220 1121847124 /nfs/dbraw/zinc/84/71/24/1121847124.db2.gz WRGNWCHBCRVBOG-PMLUTSACSA-N 0 1 285.362 3.551 20 0 CHADMN Cc1cc(C)n(-c2ccc(CN(C)Cc3ccoc3)cc2)n1 ZINC000345130805 1121848457 /nfs/dbraw/zinc/84/84/57/1121848457.db2.gz LZBGQPLBEYRGNI-UHFFFAOYSA-N 0 1 295.386 3.714 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)c(C)c2)n[nH]1 ZINC001179152847 1121853591 /nfs/dbraw/zinc/85/35/91/1121853591.db2.gz YPKWWJMSELJVMM-KRWDZBQOSA-N 0 1 297.402 3.702 20 0 CHADMN CCO[C@@]1(C)C[C@H]1NCc1ccc(-c2ccccc2)o1 ZINC001179193466 1121861561 /nfs/dbraw/zinc/86/15/61/1121861561.db2.gz HNSUESDKFQGUOC-SJORKVTESA-N 0 1 271.360 3.604 20 0 CHADMN c1cnc2c(c1)[C@@H](NCc1ccc3c(n1)CCCC3)CCC2 ZINC000631623611 1129014675 /nfs/dbraw/zinc/01/46/75/1129014675.db2.gz YNIXANWGBBQQBD-IBGZPJMESA-N 0 1 293.414 3.523 20 0 CHADMN F[C@H]1CCCC[C@H]1NCc1nccc2ccccc21 ZINC001179304687 1121867530 /nfs/dbraw/zinc/86/75/30/1121867530.db2.gz QIWBXRKLHLAKFR-LSDHHAIUSA-N 0 1 258.340 3.605 20 0 CHADMN Cc1cccc2c1CC[C@H]2NCc1cccc2c1OCCO2 ZINC000731451106 1121867996 /nfs/dbraw/zinc/86/79/96/1121867996.db2.gz PEOKLMMQRSNZIW-QGZVFWFLSA-N 0 1 295.382 3.543 20 0 CHADMN Cc1cc(C)c(C(=O)Nc2ccc3cncn3c2)c(C)c1 ZINC001179303366 1121868107 /nfs/dbraw/zinc/86/81/07/1121868107.db2.gz CIHYMJJGZUMYBS-UHFFFAOYSA-N 0 1 279.343 3.512 20 0 CHADMN Fc1ccc(/C=C\CNCc2cccc(F)c2F)cc1 ZINC001179291290 1121869158 /nfs/dbraw/zinc/86/91/58/1121869158.db2.gz MRIPCJKHNUNDNY-IHWYPQMZSA-N 0 1 277.289 3.907 20 0 CHADMN FC(F)(F)c1cccnc1CNc1ccc2c[nH]nc2c1 ZINC001179443545 1121876870 /nfs/dbraw/zinc/87/68/70/1121876870.db2.gz PPKPWRZLGNAQDE-UHFFFAOYSA-N 0 1 292.264 3.589 20 0 CHADMN CN(CCc1ccccc1F)Cc1cccc(F)c1F ZINC000731671460 1121880361 /nfs/dbraw/zinc/88/03/61/1121880361.db2.gz QFIVDRIFXPJPCK-UHFFFAOYSA-N 0 1 279.305 3.778 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1ccc(OCC)cc1 ZINC000731863669 1121886959 /nfs/dbraw/zinc/88/69/59/1121886959.db2.gz BBCNSOLBHXLQCZ-UHFFFAOYSA-N 0 1 292.423 3.536 20 0 CHADMN C[C@H](CN1CCOC[C@@H]1C1CCC1)c1cccc(Cl)c1 ZINC001206399642 1121911539 /nfs/dbraw/zinc/91/15/39/1121911539.db2.gz COJYVLLWVYBKSR-CXAGYDPISA-N 0 1 293.838 3.944 20 0 CHADMN C[C@@H](NC[C@H]1CCc2ccccc21)c1nc(C(C)(C)C)no1 ZINC000732228350 1121912832 /nfs/dbraw/zinc/91/28/32/1121912832.db2.gz LVKVKPPXEHLIMX-TZMCWYRMSA-N 0 1 299.418 3.748 20 0 CHADMN CCC[C@H](C)N(C)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000345823958 1121920802 /nfs/dbraw/zinc/92/08/02/1121920802.db2.gz YYOOZYVHEHWURM-AWEZNQCLSA-N 0 1 297.402 3.508 20 0 CHADMN Cc1cccc2nc(CNC(=O)CC3CCC(C)CC3)[nH]c21 ZINC000345855448 1121921183 /nfs/dbraw/zinc/92/11/83/1121921183.db2.gz RVEFQNFMVQAPMJ-UHFFFAOYSA-N 0 1 299.418 3.704 20 0 CHADMN Cc1ccc(-c2cc(-c3nc(C4CC4)no3)[nH]n2)c(C)c1 ZINC000345845304 1121921460 /nfs/dbraw/zinc/92/14/60/1121921460.db2.gz FXDMRVHOGIJLOI-UHFFFAOYSA-N 0 1 280.331 3.621 20 0 CHADMN C[C@H](NC(=O)CC(C)(C)C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732547368 1121925783 /nfs/dbraw/zinc/92/57/83/1121925783.db2.gz PASYFWLBAQZWSP-VIFPVBQESA-N 0 1 293.798 3.830 20 0 CHADMN CN(CCC[C@@H]1CCO1)Cc1ccc(Cl)cc1Cl ZINC001179913748 1121930159 /nfs/dbraw/zinc/93/01/59/1121930159.db2.gz HDDTVIHXHFJSFA-CYBMUJFWSA-N 0 1 288.218 3.994 20 0 CHADMN CC[C@@]1(C)CCC[N@H+](Cc2ccc([O-])c(F)c2)C1 ZINC001179956629 1121933799 /nfs/dbraw/zinc/93/37/99/1121933799.db2.gz HKDXXXVXKRTHEQ-HNNXBMFYSA-N 0 1 251.345 3.543 20 0 CHADMN CC[C@@]1(C)CCC[N@@H+](Cc2ccc([O-])c(F)c2)C1 ZINC001179956629 1121933807 /nfs/dbraw/zinc/93/38/07/1121933807.db2.gz HKDXXXVXKRTHEQ-HNNXBMFYSA-N 0 1 251.345 3.543 20 0 CHADMN CCCCN(Cc1c(F)cccc1OCC)C1CC1 ZINC001180034679 1121938700 /nfs/dbraw/zinc/93/87/00/1121938700.db2.gz DFLQTRMWCCNWBN-UHFFFAOYSA-N 0 1 265.372 3.989 20 0 CHADMN CN(Cc1cc2ccccc2[nH]1)Cc1cc2cccnc2o1 ZINC001180091988 1121941520 /nfs/dbraw/zinc/94/15/20/1121941520.db2.gz HNZXARNHFCKZQE-UHFFFAOYSA-N 0 1 291.354 3.941 20 0 CHADMN COc1cc2ccccc2cc1CN1C[C@@H](C)OC(C)(C)C1 ZINC001180039298 1121941728 /nfs/dbraw/zinc/94/17/28/1121941728.db2.gz RIKYHOIXUXHZNO-CQSZACIVSA-N 0 1 299.414 3.848 20 0 CHADMN COc1cc(F)cc(CN2CCS[C@H]3CCCC[C@H]32)c1 ZINC001180052690 1121944678 /nfs/dbraw/zinc/94/46/78/1121944678.db2.gz SYHVVSFYVGECBG-CVEARBPZSA-N 0 1 295.423 3.694 20 0 CHADMN CC(C)[C@H](c1ccccc1)N(C)Cn1cc(Cl)cn1 ZINC000732979777 1121948486 /nfs/dbraw/zinc/94/84/86/1121948486.db2.gz QLAGKXXOUPVHOX-OAHLLOKOSA-N 0 1 277.799 3.823 20 0 CHADMN Fc1ccc([C@H]2CCCN2C[C@H]2CCCCO2)cc1F ZINC000732989950 1121950058 /nfs/dbraw/zinc/95/00/58/1121950058.db2.gz XZXXYMQJJAUDMB-CZUORRHYSA-N 0 1 281.346 3.671 20 0 CHADMN Fc1ccc([C@@H]2CCCN2C[C@H]2CCCCO2)cc1F ZINC000732989949 1121950580 /nfs/dbraw/zinc/95/05/80/1121950580.db2.gz XZXXYMQJJAUDMB-CJNGLKHVSA-N 0 1 281.346 3.671 20 0 CHADMN CCC[C@@]1(C)CCC[N@H+](Cc2ccc([O-])c(F)c2)C1 ZINC001180203349 1121962025 /nfs/dbraw/zinc/96/20/25/1121962025.db2.gz PRVJDDXLAJLEDA-INIZCTEOSA-N 0 1 265.372 3.934 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](Cc2ccc([O-])c(F)c2)C1 ZINC001180203349 1121962028 /nfs/dbraw/zinc/96/20/28/1121962028.db2.gz PRVJDDXLAJLEDA-INIZCTEOSA-N 0 1 265.372 3.934 20 0 CHADMN Cc1ccnc(CN2CC[C@@H](C)[C@H](C)C2)c1Br ZINC001180199241 1121964348 /nfs/dbraw/zinc/96/43/48/1121964348.db2.gz QLABWCJTCPHVJI-ZYHUDNBSSA-N 0 1 297.240 3.630 20 0 CHADMN Fc1ccc2c(c1)nccc2NC[C@@H]1CC1(Cl)Cl ZINC000733300851 1121972675 /nfs/dbraw/zinc/97/26/75/1121972675.db2.gz WPJMQCPUHXMDGO-QMMMGPOBSA-N 0 1 285.149 3.980 20 0 CHADMN CCN(Cc1ccc(C(F)(F)F)nc1Cl)CC1CC1 ZINC001180293306 1121977193 /nfs/dbraw/zinc/97/71/93/1121977193.db2.gz YVAHXHCYHLZXHH-UHFFFAOYSA-N 0 1 292.732 3.986 20 0 CHADMN C[C@@]1(F)CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000501427235 1121978300 /nfs/dbraw/zinc/97/83/00/1121978300.db2.gz OZVSQKNVYOHUQR-HUUCEWRRSA-N 0 1 251.320 3.637 20 0 CHADMN C[C@@]1(F)CCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000501427235 1121978305 /nfs/dbraw/zinc/97/83/05/1121978305.db2.gz OZVSQKNVYOHUQR-HUUCEWRRSA-N 0 1 251.320 3.637 20 0 CHADMN Cc1coc(CN(C)Cc2ccccc2N2CCCC2)c1 ZINC001180359938 1121979303 /nfs/dbraw/zinc/97/93/03/1121979303.db2.gz YVGSKKRICYURGF-UHFFFAOYSA-N 0 1 284.403 3.820 20 0 CHADMN CCCN1Cc2cc(Br)ccc2C[C@@H]1C ZINC000501447751 1121979499 /nfs/dbraw/zinc/97/94/99/1121979499.db2.gz PPVNSDHAPPQMKJ-JTQLQIEISA-N 0 1 268.198 3.606 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001180375048 1121980779 /nfs/dbraw/zinc/98/07/79/1121980779.db2.gz CRHXKNCTESOMAD-PHIMTYICSA-N 0 1 255.764 3.957 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2cc(Cl)ccc2F)C1 ZINC001180375048 1121980782 /nfs/dbraw/zinc/98/07/82/1121980782.db2.gz CRHXKNCTESOMAD-PHIMTYICSA-N 0 1 255.764 3.957 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2cc(Cl)ccc2F)C1 ZINC001180375047 1121981328 /nfs/dbraw/zinc/98/13/28/1121981328.db2.gz CRHXKNCTESOMAD-GHMZBOCLSA-N 0 1 255.764 3.957 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](C)c2ccccc2N(C)C)s1 ZINC000631707192 1129022676 /nfs/dbraw/zinc/02/26/76/1129022676.db2.gz FJHPWOYHWUMEJH-RYUDHWBXSA-N 0 1 289.448 3.929 20 0 CHADMN Cc1occc1CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000414438787 1121982102 /nfs/dbraw/zinc/98/21/02/1121982102.db2.gz RQTRKLPIYKRSFG-GFCCVEGCSA-N 0 1 275.314 3.998 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)o1 ZINC000631728644 1129023909 /nfs/dbraw/zinc/02/39/09/1129023909.db2.gz VEVLBMCKQKGIBM-GFCCVEGCSA-N 0 1 298.386 3.669 20 0 CHADMN C[C@H]1CCN(Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC000501788221 1122008900 /nfs/dbraw/zinc/00/89/00/1122008900.db2.gz DLZGGHILJWMZST-NWDGAFQWSA-N 0 1 266.454 3.919 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccc3c2CCOC3)oc1C ZINC000631732399 1129025014 /nfs/dbraw/zinc/02/50/14/1129025014.db2.gz IQKGJOTVIAZDAT-CYBMUJFWSA-N 0 1 285.387 3.820 20 0 CHADMN Cc1cccc(C)c1OCCN1CCc2sccc2C1 ZINC000501831118 1122013387 /nfs/dbraw/zinc/01/33/87/1122013387.db2.gz PPSLZUABGBYCCK-UHFFFAOYSA-N 0 1 287.428 3.802 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(C(F)F)nc1 ZINC000631753237 1129027885 /nfs/dbraw/zinc/02/78/85/1129027885.db2.gz HWDKTZSLGIBKMN-GTNGPMTGSA-N 0 1 280.240 3.621 20 0 CHADMN C[C@@H]1CN(CCSC2CCCCC2)C[C@@H](C2CC2)O1 ZINC000501876004 1122020408 /nfs/dbraw/zinc/02/04/08/1122020408.db2.gz LWJMIBLVFPRQIH-CJNGLKHVSA-N 0 1 283.481 3.552 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc3c2CCOC3)o1 ZINC000631730108 1129025641 /nfs/dbraw/zinc/02/56/41/1129025641.db2.gz NNXIRBPILPYRLK-CYBMUJFWSA-N 0 1 271.360 3.512 20 0 CHADMN CC[C@@H](C)N1CCc2cc(Br)ccc2C1 ZINC000501921973 1122024389 /nfs/dbraw/zinc/02/43/89/1122024389.db2.gz OQMMVVHSRFRPLB-SNVBAGLBSA-N 0 1 268.198 3.606 20 0 CHADMN CC[C@H](C)[N@@H+](C)Cc1cc(F)ccc1Br ZINC000501939321 1122026628 /nfs/dbraw/zinc/02/66/28/1122026628.db2.gz QYGKIEKFUZRULR-VIFPVBQESA-N 0 1 274.177 3.819 20 0 CHADMN CC[C@H](C)N(C)Cc1cc(F)ccc1Br ZINC000501939321 1122026637 /nfs/dbraw/zinc/02/66/37/1122026637.db2.gz QYGKIEKFUZRULR-VIFPVBQESA-N 0 1 274.177 3.819 20 0 CHADMN CC[C@]1(C)COCCN1C[C@H](C)c1cccc(Cl)c1 ZINC001181065325 1122032109 /nfs/dbraw/zinc/03/21/09/1122032109.db2.gz JTJIPOWOFYZGFX-XJKSGUPXSA-N 0 1 281.827 3.944 20 0 CHADMN CC(C)(C)c1csc(CN2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000153221001 1129026449 /nfs/dbraw/zinc/02/64/49/1129026449.db2.gz NARLMIIBGAQZPI-TXEJJXNPSA-N 0 1 264.438 3.673 20 0 CHADMN CCc1cc(C(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)n[nH]1 ZINC000502133582 1122039215 /nfs/dbraw/zinc/03/92/15/1122039215.db2.gz LQJIFOKLFZPLNX-QGZVFWFLSA-N 0 1 297.402 3.566 20 0 CHADMN CCOc1cc(CN(CC)Cc2ccccc2)ccn1 ZINC001249998096 1122040827 /nfs/dbraw/zinc/04/08/27/1122040827.db2.gz KZFCIBJZIANDFT-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN FC(F)(F)CCN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420941920 1122047670 /nfs/dbraw/zinc/04/76/70/1122047670.db2.gz GHNKVIJZNXNNMB-QMMMGPOBSA-N 0 1 263.225 3.603 20 0 CHADMN CC(C)c1noc([C@H](C)N2CC[C@@H](C3CCCC3)C2)n1 ZINC000420959361 1122050505 /nfs/dbraw/zinc/05/05/05/1122050505.db2.gz DOHYKDKBQJHYMW-GXTWGEPZSA-N 0 1 277.412 3.766 20 0 CHADMN CC(C)(C)c1cnc(CN2CC[C@@H](C3CCCC3)C2)o1 ZINC000420963368 1122051851 /nfs/dbraw/zinc/05/18/51/1122051851.db2.gz NERPHSAIKOKFFL-CQSZACIVSA-N 0 1 276.424 3.984 20 0 CHADMN CC1(C)C[C@@H]1NCc1csc(-c2ccccc2)n1 ZINC000414487452 1122059426 /nfs/dbraw/zinc/05/94/26/1122059426.db2.gz OWBLOSKFZYXUCW-ZDUSSCGKSA-N 0 1 258.390 3.698 20 0 CHADMN Cc1cc(CN(C(C)C)[C@H](C)c2ccsc2)ncn1 ZINC000421018245 1122064856 /nfs/dbraw/zinc/06/48/56/1122064856.db2.gz WGEHICMLBDONQV-CYBMUJFWSA-N 0 1 275.421 3.818 20 0 CHADMN CC(C)[C@H]1C[N@H+](Cc2ccc([O-])c(F)c2F)[C@H]1C(C)C ZINC001181752731 1122074235 /nfs/dbraw/zinc/07/42/35/1122074235.db2.gz JUCOJSISBMXSHN-WBMJQRKESA-N 0 1 283.362 3.783 20 0 CHADMN CC(C)[C@H]1C[N@@H+](Cc2ccc([O-])c(F)c2F)[C@H]1C(C)C ZINC001181752731 1122074240 /nfs/dbraw/zinc/07/42/40/1122074240.db2.gz JUCOJSISBMXSHN-WBMJQRKESA-N 0 1 283.362 3.783 20 0 CHADMN FC[C@H](N[C@@H]1CCC12CCC2)c1ccc(F)cc1 ZINC000631798610 1129029631 /nfs/dbraw/zinc/02/96/31/1129029631.db2.gz WERUMAMWMCTPRG-UONOGXRCSA-N 0 1 251.320 3.759 20 0 CHADMN CO[C@@](C)([C@@H](C)NCc1ncc(C(C)C)s1)C1CC1 ZINC000414504378 1122077681 /nfs/dbraw/zinc/07/76/81/1122077681.db2.gz SJLZKXDARZJQBA-ABAIWWIYSA-N 0 1 282.453 3.560 20 0 CHADMN C[C@@H]1C[C@@H](NCc2csc(-c3ccsc3)n2)CS1 ZINC000414505067 1122080277 /nfs/dbraw/zinc/08/02/77/1122080277.db2.gz UGHCXCHQDOPKAN-MWLCHTKSSA-N 0 1 296.486 3.855 20 0 CHADMN CC[C@@H](CC(C)C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC001181833629 1122084166 /nfs/dbraw/zinc/08/41/66/1122084166.db2.gz VKGBYQZIJNDHCB-LBPRGKRZSA-N 0 1 273.380 3.882 20 0 CHADMN COc1ccc2oc(CN[C@@H]3CCCC[C@H]3F)cc2c1 ZINC000414509108 1122087406 /nfs/dbraw/zinc/08/74/06/1122087406.db2.gz FAQKYKXTNQKQBF-HUUCEWRRSA-N 0 1 277.339 3.812 20 0 CHADMN Cc1c(Cl)c(CN2CCC3(CCCC3)CC2)nn1C ZINC000421320587 1122093455 /nfs/dbraw/zinc/09/34/55/1122093455.db2.gz PWYIVPOCCSUQJI-UHFFFAOYSA-N 0 1 281.831 3.538 20 0 CHADMN C[C@@H](NCc1cccc(C2CC2)c1)c1ccncc1F ZINC000421355250 1122099372 /nfs/dbraw/zinc/09/93/72/1122099372.db2.gz IZAJKNXAZZKWFI-GFCCVEGCSA-N 0 1 270.351 3.949 20 0 CHADMN CCc1ccc(CN2CCC[C@H](CC(F)(F)F)C2)cn1 ZINC000421360569 1122101213 /nfs/dbraw/zinc/10/12/13/1122101213.db2.gz IZNOYDYNFUNJKP-GFCCVEGCSA-N 0 1 286.341 3.808 20 0 CHADMN CC[C@@H](C[NH2+]Cc1c(F)ccc([O-])c1F)CC(F)(F)F ZINC000414516377 1122107891 /nfs/dbraw/zinc/10/78/91/1122107891.db2.gz OICXSAIDQOTVAZ-MRVPVSSYSA-N 0 1 297.267 3.739 20 0 CHADMN Oc1cccc(CN2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000421391770 1122110072 /nfs/dbraw/zinc/11/00/72/1122110072.db2.gz POBPWYFZVSJWPP-LBPRGKRZSA-N 0 1 273.298 3.557 20 0 CHADMN Cc1ccc(CN2CCC[C@H](CC(F)(F)F)C2)cn1 ZINC000421398754 1122111290 /nfs/dbraw/zinc/11/12/90/1122111290.db2.gz ZFWQNJBWVMYEHE-GFCCVEGCSA-N 0 1 272.314 3.554 20 0 CHADMN CCOc1cc(F)cc(CN2CC(C)(C)[C@H]2C2CC2)c1 ZINC001182183935 1122117079 /nfs/dbraw/zinc/11/70/79/1122117079.db2.gz KTVUMQKXAUISNL-MRXNPFEDSA-N 0 1 277.383 3.845 20 0 CHADMN COc1cccc2cc([C@H](C)N[C@H](C)c3ccnn3C)oc21 ZINC000774110080 1122128776 /nfs/dbraw/zinc/12/87/76/1122128776.db2.gz OATBVWSLNWKCND-NEPJUHHUSA-N 0 1 299.374 3.587 20 0 CHADMN COC(=O)c1coc([C@H](C)N[C@@H](C)c2ccc(C)s2)c1 ZINC000774141301 1122129901 /nfs/dbraw/zinc/12/99/01/1122129901.db2.gz SMCIEMFKRHBLFX-QWRGUYRKSA-N 0 1 293.388 3.848 20 0 CHADMN Clc1cc(CN2CCSC3(CCCCC3)C2)ccn1 ZINC000079504662 1129038258 /nfs/dbraw/zinc/03/82/58/1129038258.db2.gz QIBMUKNSTZGRCF-UHFFFAOYSA-N 0 1 296.867 3.987 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(Cl)c(F)c1)c1ccnn1C ZINC000774265370 1122149898 /nfs/dbraw/zinc/14/98/98/1122149898.db2.gz DNNXEUBDVICEKY-NXEZZACHSA-N 0 1 281.762 3.624 20 0 CHADMN Cc1noc(C)c1CNCc1ccc(OC(C)(C)C)cc1 ZINC000620125166 1129034745 /nfs/dbraw/zinc/03/47/45/1129034745.db2.gz JIIBGPLKMSQOFZ-UHFFFAOYSA-N 0 1 288.391 3.759 20 0 CHADMN CCN(Cc1c[nH]nc1-c1ccc(C)o1)Cc1occc1C ZINC000414546497 1122150452 /nfs/dbraw/zinc/15/04/52/1122150452.db2.gz GMHOPKHCQIVLMW-UHFFFAOYSA-N 0 1 299.374 3.902 20 0 CHADMN CC(C)(C)c1n[nH]c(SC[C@@H]2CCc3ccccc32)n1 ZINC000502873813 1122152699 /nfs/dbraw/zinc/15/26/99/1122152699.db2.gz XYSCAUOYTDXSAB-LBPRGKRZSA-N 0 1 287.432 3.924 20 0 CHADMN CC(C)(C)c1nc(SC[C@@H]2CCc3ccccc32)n[nH]1 ZINC000502873813 1122152700 /nfs/dbraw/zinc/15/27/00/1122152700.db2.gz XYSCAUOYTDXSAB-LBPRGKRZSA-N 0 1 287.432 3.924 20 0 CHADMN COCCCCCN1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000502892363 1122154216 /nfs/dbraw/zinc/15/42/16/1122154216.db2.gz KSKWAKKCMUZTND-KRWDZBQOSA-N 0 1 297.389 3.821 20 0 CHADMN C[C@H](CN[C@@H](C)c1csnn1)CC1CCCCC1 ZINC000414555924 1122158214 /nfs/dbraw/zinc/15/82/14/1122158214.db2.gz XUWIIQCDMIAMTN-RYUDHWBXSA-N 0 1 267.442 3.795 20 0 CHADMN Cc1cc(F)cc2c1CN(CCC(=O)c1ccccc1)CC2 ZINC000502940891 1122158969 /nfs/dbraw/zinc/15/89/69/1122158969.db2.gz RUTOMTDWRZHOLB-UHFFFAOYSA-N 0 1 297.373 3.765 20 0 CHADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000263349724 1129035528 /nfs/dbraw/zinc/03/55/28/1129035528.db2.gz PLHYBGJXDHMUAQ-DZGCQCFKSA-N 0 1 289.419 3.527 20 0 CHADMN CN(CCOc1cccc(C(C)(C)C)c1)Cc1cccnc1 ZINC000503110702 1122166990 /nfs/dbraw/zinc/16/69/90/1122166990.db2.gz SOTOQQWEOSQCKQ-UHFFFAOYSA-N 0 1 298.430 3.890 20 0 CHADMN Fc1cccc(CN[C@@H](c2cccs2)C2CC2)n1 ZINC000774464572 1122167097 /nfs/dbraw/zinc/16/70/97/1122167097.db2.gz YDLDOGDLBMMLFM-CQSZACIVSA-N 0 1 262.353 3.523 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(Cl)cc2)nc1 ZINC000271714960 1122171685 /nfs/dbraw/zinc/17/16/85/1122171685.db2.gz BYWSHDGVTJOSRS-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN CC1(C)c2ccccc2CC[N@@H+]1Cc1ccc(F)nc1 ZINC001182509540 1122172047 /nfs/dbraw/zinc/17/20/47/1122172047.db2.gz VRUNMMAJDZTGIW-UHFFFAOYSA-N 0 1 270.351 3.514 20 0 CHADMN CC1(C)c2ccccc2CCN1Cc1ccc(F)nc1 ZINC001182509540 1122172050 /nfs/dbraw/zinc/17/20/50/1122172050.db2.gz VRUNMMAJDZTGIW-UHFFFAOYSA-N 0 1 270.351 3.514 20 0 CHADMN C[C@@H]1CCC[C@H]1NCc1c(F)c(F)c(F)c(F)c1F ZINC000774505343 1122172358 /nfs/dbraw/zinc/17/23/58/1122172358.db2.gz BNDUMYITQOFBQT-HTRCEHHLSA-N 0 1 279.252 3.660 20 0 CHADMN COc1ccccc1[C@H](C)NCc1cccc2nsnc21 ZINC000271733976 1122172916 /nfs/dbraw/zinc/17/29/16/1122172916.db2.gz UPZIJPMCQFDGQR-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263375232 1129036248 /nfs/dbraw/zinc/03/62/48/1129036248.db2.gz WMBRCPHXCGJGIX-GLJUWKHASA-N 0 1 297.398 3.943 20 0 CHADMN Cc1cccc([C@H](NCc2ccno2)C(C)(C)C)c1 ZINC000271747064 1122173872 /nfs/dbraw/zinc/17/38/72/1122173872.db2.gz XSRGDTFKNDBMQT-HNNXBMFYSA-N 0 1 258.365 3.860 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC001151253594 1122175566 /nfs/dbraw/zinc/17/55/66/1122175566.db2.gz YLTQVPPIOQCUOV-XHSDSOJGSA-N 0 1 282.472 3.534 20 0 CHADMN CO[C@H](c1ccccc1F)[C@H](C)N[C@@H](C)c1ccco1 ZINC000271855848 1122179459 /nfs/dbraw/zinc/17/94/59/1122179459.db2.gz JJHSBQPKBJJGNQ-MKBNYLNASA-N 0 1 277.339 3.846 20 0 CHADMN C[C@H](NC1(c2ccccc2)CC1)c1ccc(F)cn1 ZINC000271998834 1122185692 /nfs/dbraw/zinc/18/56/92/1122185692.db2.gz NIZWFIMFUUHMAB-LBPRGKRZSA-N 0 1 256.324 3.561 20 0 CHADMN Cc1cc(C)cc(CC[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c1 ZINC001182724686 1122185968 /nfs/dbraw/zinc/18/59/68/1122185968.db2.gz ADCMIIMZYOYVSO-KRWDZBQOSA-N 0 1 287.447 3.879 20 0 CHADMN Cc1cc(C)cc(CC[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c1 ZINC001182724687 1122186213 /nfs/dbraw/zinc/18/62/13/1122186213.db2.gz ADCMIIMZYOYVSO-QGZVFWFLSA-N 0 1 287.447 3.879 20 0 CHADMN C[C@@H](NCc1ccns1)c1cccc(Cl)c1 ZINC000404448287 1122192540 /nfs/dbraw/zinc/19/25/40/1122192540.db2.gz LDLUVDZWDXVNJP-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN C[C@@H](NCc1ccns1)c1ccc2c(c1)CCCC2 ZINC000404441235 1122192697 /nfs/dbraw/zinc/19/26/97/1122192697.db2.gz HMUDSUXAVXAAOT-GFCCVEGCSA-N 0 1 272.417 3.873 20 0 CHADMN CCc1ccc(C)nc1NCCc1ccc(C)cc1 ZINC001182872279 1122192921 /nfs/dbraw/zinc/19/29/21/1122192921.db2.gz CUUZEIWGLZQGRQ-UHFFFAOYSA-N 0 1 254.377 3.915 20 0 CHADMN CCCC[C@H](COC)Nc1nc(C)ccc1CC ZINC001182875043 1122193322 /nfs/dbraw/zinc/19/33/22/1122193322.db2.gz WQUMXMHIAQOZGH-CQSZACIVSA-N 0 1 250.386 3.570 20 0 CHADMN CCc1ccc(C)nc1N[C@@H]1C[C@@H](OC)C1(CC)CC ZINC001182875135 1122193654 /nfs/dbraw/zinc/19/36/54/1122193654.db2.gz XNCOXAAXSMULSR-HUUCEWRRSA-N 0 1 276.424 3.958 20 0 CHADMN CCc1ccc(C)nc1N[C@@H]1C[C@H](OC)C1(CC)CC ZINC001182875133 1122193926 /nfs/dbraw/zinc/19/39/26/1122193926.db2.gz XNCOXAAXSMULSR-CABCVRRESA-N 0 1 276.424 3.958 20 0 CHADMN COc1c(O)cccc1CN(C)[C@H](C)c1ccccc1 ZINC000272300436 1122197826 /nfs/dbraw/zinc/19/78/26/1122197826.db2.gz PQPHLXNNIZEHAV-CYBMUJFWSA-N 0 1 271.360 3.594 20 0 CHADMN CC(C)[C@H](CN1CCO[C@@](C)(C(F)F)C1)c1ccccc1 ZINC001182990729 1122198010 /nfs/dbraw/zinc/19/80/10/1122198010.db2.gz RTDIVGXIMYPBMX-DOTOQJQBSA-N 0 1 297.389 3.782 20 0 CHADMN C[C@@H](NCc1ccc(OC(C)(C)C)nc1)c1cncs1 ZINC000272340779 1122198900 /nfs/dbraw/zinc/19/89/00/1122198900.db2.gz OWQJGVAESOFSNR-LLVKDONJSA-N 0 1 291.420 3.566 20 0 CHADMN CC(C)Oc1cccc(C[N@@H+](C)Cc2ccc(CO)cc2)c1 ZINC000272393707 1122199858 /nfs/dbraw/zinc/19/98/58/1122199858.db2.gz DAPHEUCTHKGQDJ-UHFFFAOYSA-N 0 1 299.414 3.598 20 0 CHADMN COCC[C@@H](N[C@H](C)c1ccc(F)cc1)c1ccco1 ZINC000272408574 1122201086 /nfs/dbraw/zinc/20/10/86/1122201086.db2.gz GFKRXOJBTNEFMD-IUODEOHRSA-N 0 1 277.339 3.847 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C1CCCCCCC1 ZINC000272437351 1122202343 /nfs/dbraw/zinc/20/23/43/1122202343.db2.gz KJPRIMYKHQSOJY-UHFFFAOYSA-N 0 1 285.338 3.955 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H](C)c1cccc(F)c1 ZINC000272489539 1122203369 /nfs/dbraw/zinc/20/33/69/1122203369.db2.gz SUXVUAHANLQWDH-ZETCQYMHSA-N 0 1 297.280 3.537 20 0 CHADMN COCC[C@@H](N[C@@H](C)c1ccsc1)c1ccco1 ZINC000272594298 1122207106 /nfs/dbraw/zinc/20/71/06/1122207106.db2.gz SNYZKMHPKRDUCH-WCQYABFASA-N 0 1 265.378 3.770 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2c(F)cccc21)c1cncs1 ZINC000272611840 1122207226 /nfs/dbraw/zinc/20/72/26/1122207226.db2.gz KPBOVUZAJKZOLZ-ZWNOBZJWSA-N 0 1 292.379 3.847 20 0 CHADMN CC[C@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1ccccc1F ZINC000272610220 1122207763 /nfs/dbraw/zinc/20/77/63/1122207763.db2.gz KFNPZBBASMGBJD-FZMZJTMJSA-N 0 1 290.386 3.869 20 0 CHADMN CSc1ccccc1CN(C)[C@H](C)c1cccnc1 ZINC000272686419 1122210437 /nfs/dbraw/zinc/21/04/37/1122210437.db2.gz DBJHZCIKDPUDJT-CYBMUJFWSA-N 0 1 272.417 3.997 20 0 CHADMN COCC[C@@H](N[C@H]1CCc2ccccc21)c1ccc(C)o1 ZINC000272688937 1122210679 /nfs/dbraw/zinc/21/06/79/1122210679.db2.gz WSYYBVJOKVTAIU-DLBZAZTESA-N 0 1 285.387 3.943 20 0 CHADMN CCn1cc(CNCc2ccc(SC(F)F)cc2)cn1 ZINC000272722320 1122211316 /nfs/dbraw/zinc/21/13/16/1122211316.db2.gz KAWFSKBZNWKREU-UHFFFAOYSA-N 0 1 297.374 3.508 20 0 CHADMN Cc1nc(CN2CC[C@H](c3cccc(C)c3)C2)oc1C ZINC000273063613 1122219520 /nfs/dbraw/zinc/21/95/20/1122219520.db2.gz IBQYPMCMHWUSHF-INIZCTEOSA-N 0 1 270.376 3.589 20 0 CHADMN CC[C@@H]1[C@H](C)CCN1CN1c2cccc3cccc(c23)C1=O ZINC000774624807 1122220918 /nfs/dbraw/zinc/22/09/18/1122220918.db2.gz MEWBBWINJCNCHU-CZUORRHYSA-N 0 1 294.398 3.878 20 0 CHADMN COc1cc(C)c([C@H](C)NCc2ccco2)cc1C ZINC000273135594 1122221285 /nfs/dbraw/zinc/22/12/85/1122221285.db2.gz CQOFGEGPHAOYPC-ZDUSSCGKSA-N 0 1 259.349 3.756 20 0 CHADMN O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)[C@@H]1C[C@H]1F ZINC001183387710 1122221279 /nfs/dbraw/zinc/22/12/79/1122221279.db2.gz DVQVQZHKOJRMND-CHWSQXEVSA-N 0 1 295.317 3.526 20 0 CHADMN COc1ccnc(CN[C@H](c2ccccc2)C2CCC2)c1 ZINC000273226798 1122223868 /nfs/dbraw/zinc/22/38/68/1122223868.db2.gz VQDDHTSUSRRCPK-GOSISDBHSA-N 0 1 282.387 3.721 20 0 CHADMN CC(C)(C)CN(Cn1cccnc1=S)CC(C)(C)C ZINC000774639735 1122226617 /nfs/dbraw/zinc/22/66/17/1122226617.db2.gz LUIXICMALSWQTK-UHFFFAOYSA-N 0 1 281.469 3.964 20 0 CHADMN CCC[C@@H](NCc1ccc(F)c(F)c1)c1cccnc1 ZINC000273387193 1122230789 /nfs/dbraw/zinc/23/07/89/1122230789.db2.gz JXPWRZWDFKISNO-MRXNPFEDSA-N 0 1 276.330 3.991 20 0 CHADMN Cc1cccc(Cl)c1NC(=O)Nc1ncc(F)cc1O ZINC001183718040 1122236411 /nfs/dbraw/zinc/23/64/11/1122236411.db2.gz CCVWYNQUYRIIMN-UHFFFAOYSA-N 0 1 295.701 3.532 20 0 CHADMN C[N@H+](Cc1nc(-c2cccs2)no1)C[C@@H]1CC=CCC1 ZINC000273634579 1122240754 /nfs/dbraw/zinc/24/07/54/1122240754.db2.gz XMHOEPLAVPRBQN-GFCCVEGCSA-N 0 1 289.404 3.586 20 0 CHADMN CN(Cc1nc(-c2cccs2)no1)C[C@@H]1CC=CCC1 ZINC000273634579 1122240759 /nfs/dbraw/zinc/24/07/59/1122240759.db2.gz XMHOEPLAVPRBQN-GFCCVEGCSA-N 0 1 289.404 3.586 20 0 CHADMN CCCCCn1cc(CNCc2ccc(F)cc2)c(C)n1 ZINC000503282181 1122254958 /nfs/dbraw/zinc/25/49/58/1122254958.db2.gz IDKYKAWEBLSQSD-UHFFFAOYSA-N 0 1 289.398 3.811 20 0 CHADMN CCCC[C@@H](C)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000503491842 1122263867 /nfs/dbraw/zinc/26/38/67/1122263867.db2.gz SOVWLMUMQIKQHL-HUUCEWRRSA-N 0 1 294.439 3.605 20 0 CHADMN CC(C)C[C@H](C)CNCc1nc(C(C)(C)C)co1 ZINC001184251052 1122264539 /nfs/dbraw/zinc/26/45/39/1122264539.db2.gz JEIIPGWQDXDDGJ-LBPRGKRZSA-N 0 1 252.402 3.744 20 0 CHADMN c1ccc(C2CC(CNCc3nnc(C4CC4)s3)C2)cc1 ZINC000894275026 1122266644 /nfs/dbraw/zinc/26/66/44/1122266644.db2.gz NVLVDKATVPLLBD-UHFFFAOYSA-N 0 1 299.443 3.699 20 0 CHADMN Cc1cccc2c1OCC[C@H]2Nc1ccnc(C)c1Cl ZINC000503567647 1122268941 /nfs/dbraw/zinc/26/89/41/1122268941.db2.gz CGNDXQAQBFDHSV-CYBMUJFWSA-N 0 1 288.778 3.709 20 0 CHADMN Brc1cccnc1CN[C@H]1CC[C@H]1C1CCC1 ZINC001184339385 1122272035 /nfs/dbraw/zinc/27/20/35/1122272035.db2.gz QGIKSDQTVWTZGJ-AAEUAGOBSA-N 0 1 295.224 3.512 20 0 CHADMN CCOc1ccc(CN2CCc3cc(C)cc(C)c3C2)o1 ZINC001184428581 1122277342 /nfs/dbraw/zinc/27/73/42/1122277342.db2.gz NMRGITIQMWHARZ-UHFFFAOYSA-N 0 1 285.387 3.853 20 0 CHADMN C[C@@H]1CN(Cc2c(Cl)ccnc2F)[C@@H]2CCCC[C@@H]21 ZINC001204960928 1122277924 /nfs/dbraw/zinc/27/79/24/1122277924.db2.gz LOFMWEMUXUSULZ-JTNHKYCSSA-N 0 1 282.790 3.885 20 0 CHADMN CCCOc1cc(C)ccc1CNCc1scnc1C ZINC000153606930 1122280284 /nfs/dbraw/zinc/28/02/84/1122280284.db2.gz AMLRANNIQBIGNQ-UHFFFAOYSA-N 0 1 290.432 3.839 20 0 CHADMN CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000503992072 1122283619 /nfs/dbraw/zinc/28/36/19/1122283619.db2.gz SRKLZNGOUJNAPO-UHFFFAOYSA-N 0 1 273.351 3.856 20 0 CHADMN CSCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000192884736 1129044703 /nfs/dbraw/zinc/04/47/03/1129044703.db2.gz BSBMATAWMHEXLY-UHFFFAOYSA-N 0 1 285.825 3.580 20 0 CHADMN CC(C)Oc1cc(F)c(CCN2CCCC2)cc1Cl ZINC001250168476 1122299223 /nfs/dbraw/zinc/29/92/23/1122299223.db2.gz VJJAVOWGLAVHQM-UHFFFAOYSA-N 0 1 285.790 3.905 20 0 CHADMN Cn1ccnc1[C@H](C1CC1)N1CCC[C@H]1c1cccs1 ZINC000637865736 1122300199 /nfs/dbraw/zinc/30/01/99/1122300199.db2.gz DSEUCGQDKWNOAH-ZFWWWQNUSA-N 0 1 287.432 3.770 20 0 CHADMN Cc1nc2c(s1)[C@H](NCc1ccccc1F)CCC2 ZINC000153944587 1122310401 /nfs/dbraw/zinc/31/04/01/1122310401.db2.gz TVDHGQLZZZMFGU-CYBMUJFWSA-N 0 1 276.380 3.758 20 0 CHADMN CCCc1cccc(C[N@@H+](CCC(=O)[O-])CC(C)C)c1 ZINC000901596760 1129046009 /nfs/dbraw/zinc/04/60/09/1129046009.db2.gz YMBYEFRJDNJHMU-UHFFFAOYSA-N 0 1 277.408 3.572 20 0 CHADMN Cn1ccnc1[C@@H](C1CC1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000637909246 1122316909 /nfs/dbraw/zinc/31/69/09/1122316909.db2.gz HQJVTNUTEVRIHF-HUUCEWRRSA-N 0 1 287.432 3.770 20 0 CHADMN Cn1ccnc1[C@@H](C1CC1)N1CCC[C@@H]1c1ccsc1 ZINC000637909246 1122316917 /nfs/dbraw/zinc/31/69/17/1122316917.db2.gz HQJVTNUTEVRIHF-HUUCEWRRSA-N 0 1 287.432 3.770 20 0 CHADMN COc1cc2c(cc1F)nccc2NC[C@]1(C)CC1(F)F ZINC000664398601 1122335581 /nfs/dbraw/zinc/33/55/81/1122335581.db2.gz PWGHSBUEFNOYNS-AWEZNQCLSA-N 0 1 296.292 3.840 20 0 CHADMN O=S(=O)(Nc1ccc2sccc2c1)c1ccsc1 ZINC001185390376 1122336126 /nfs/dbraw/zinc/33/61/26/1122336126.db2.gz GXIMBGFPGDQBQH-UHFFFAOYSA-N 0 1 295.410 3.764 20 0 CHADMN Clc1ccc([C@@H]2CCN2C[C@@H]2CCC=CO2)cc1 ZINC000774909370 1122352613 /nfs/dbraw/zinc/35/26/13/1122352613.db2.gz PMBAYJKAJFYLBW-GJZGRUSLSA-N 0 1 263.768 3.780 20 0 CHADMN Cc1[nH]nc2cc(Cc3ccc(F)c(F)c3F)ccc12 ZINC001250219293 1122364769 /nfs/dbraw/zinc/36/47/69/1122364769.db2.gz HFQCYLVDSMPPED-UHFFFAOYSA-N 0 1 276.261 3.879 20 0 CHADMN Cc1cc(N)ncc1Cc1c(F)cccc1C(F)(F)F ZINC001250229661 1122375912 /nfs/dbraw/zinc/37/59/12/1122375912.db2.gz GKWYJMWLLZDOAI-UHFFFAOYSA-N 0 1 284.256 3.721 20 0 CHADMN Fc1cc(Cc2ccc3nc[nH]c3c2)cc(F)c1F ZINC001250234470 1122383165 /nfs/dbraw/zinc/38/31/65/1122383165.db2.gz CRIBAOIVHJZOPA-UHFFFAOYSA-N 0 1 262.234 3.571 20 0 CHADMN Cc1ccc(SCCN2CCO[C@H]3CCC[C@@H]32)cc1C ZINC000514209771 1122386271 /nfs/dbraw/zinc/38/62/71/1122386271.db2.gz XRHMSHXTFAALRA-IRXDYDNUSA-N 0 1 291.460 3.649 20 0 CHADMN CCc1cc(C(=O)N2CC(C)(C)C[C@H]2c2ccccc2)n[nH]1 ZINC000425121847 1122387824 /nfs/dbraw/zinc/38/78/24/1122387824.db2.gz QDKCXXCDUADKQE-INIZCTEOSA-N 0 1 297.402 3.586 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2cccc(C(C)(C)C)c2)n1 ZINC000691655474 1122390931 /nfs/dbraw/zinc/39/09/31/1122390931.db2.gz WPGLICJMZKSWLI-ZDUSSCGKSA-N 0 1 273.380 3.690 20 0 CHADMN CCC[C@@H](Nc1nc(Cl)nc2[nH]cnc21)C(C)(C)C ZINC001186478749 1122393605 /nfs/dbraw/zinc/39/36/05/1122393605.db2.gz DYJXWNVSMFYOPH-MRVPVSSYSA-N 0 1 281.791 3.633 20 0 CHADMN COC(=O)c1cc(F)ccc1C[N@@H+](C)CC1CCCCC1 ZINC000505564952 1122420431 /nfs/dbraw/zinc/42/04/31/1122420431.db2.gz RJOLWXIYDNQIKM-UHFFFAOYSA-N 0 1 293.382 3.624 20 0 CHADMN COc1cc(CN2CC[C@@H]2c2ccccc2)cc(OC)c1 ZINC000434983288 1122424847 /nfs/dbraw/zinc/42/48/47/1122424847.db2.gz UJOPTKZCVLOWLT-GOSISDBHSA-N 0 1 283.371 3.651 20 0 CHADMN Cc1cccc2c1CN(Cc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000434989435 1122426198 /nfs/dbraw/zinc/42/61/98/1122426198.db2.gz ANPOKFYBQUARFC-UHFFFAOYSA-N 0 1 293.370 3.536 20 0 CHADMN COc1ccc(CN2CC[C@H]2c2ccccc2)cc1 ZINC000434984986 1122426502 /nfs/dbraw/zinc/42/65/02/1122426502.db2.gz DVGBVXMQDCVJAH-KRWDZBQOSA-N 0 1 253.345 3.642 20 0 CHADMN Cc1ccsc1CN1CCN(C)C[C@H]1c1ccccc1 ZINC000434991242 1122427747 /nfs/dbraw/zinc/42/77/47/1122427747.db2.gz LRWCQQFTDMNTLG-INIZCTEOSA-N 0 1 286.444 3.545 20 0 CHADMN CN(CCCCCO)Cc1ccc(F)c(Cl)c1Cl ZINC000435049512 1122430812 /nfs/dbraw/zinc/43/08/12/1122430812.db2.gz QYOPPMWTQBLUSH-UHFFFAOYSA-N 0 1 294.197 3.727 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2sccc2OC)cc1 ZINC000505597251 1122432745 /nfs/dbraw/zinc/43/27/45/1122432745.db2.gz PWUSFTXRHQJBQX-UHFFFAOYSA-N 0 1 275.417 3.951 20 0 CHADMN CCc1ccc(CN(C)Cc2sccc2OC)cc1 ZINC000505597251 1122432746 /nfs/dbraw/zinc/43/27/46/1122432746.db2.gz PWUSFTXRHQJBQX-UHFFFAOYSA-N 0 1 275.417 3.951 20 0 CHADMN CC[C@H]1CO[C@H](C)CN1Cc1cccc(-c2cccnc2)c1 ZINC000505608902 1122435599 /nfs/dbraw/zinc/43/55/99/1122435599.db2.gz MKMVRVSTULNGEE-BEFAXECRSA-N 0 1 296.414 3.748 20 0 CHADMN CCc1ccc(CN(C)Cc2cccnc2C)cc1 ZINC000505613104 1122435840 /nfs/dbraw/zinc/43/58/40/1122435840.db2.gz SYADJISDJNTULI-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN C[C@H]1CN(Cc2ccc(-c3cc[nH]n3)o2)[C@@H]1c1ccccc1 ZINC000435128225 1122436710 /nfs/dbraw/zinc/43/67/10/1122436710.db2.gz GCYJBSHSDDTHMM-UGSOOPFHSA-N 0 1 293.370 3.863 20 0 CHADMN CC(C)N(C(=O)c1[nH]ncc1Cl)[C@@H](C)c1ccccc1 ZINC001187842690 1122443986 /nfs/dbraw/zinc/44/39/86/1122443986.db2.gz XKLWFROUQULXPB-NSHDSACASA-N 0 1 291.782 3.675 20 0 CHADMN CN(Cc1cnc2ccc(Cl)cn12)Cc1ccccc1 ZINC000435240210 1122447114 /nfs/dbraw/zinc/44/71/14/1122447114.db2.gz NDWRDTVJQAQOHW-UHFFFAOYSA-N 0 1 285.778 3.620 20 0 CHADMN Cc1nnc(CN(CCCCC(F)(F)F)C(C)(C)C)o1 ZINC000155926791 1122450151 /nfs/dbraw/zinc/45/01/51/1122450151.db2.gz KHORAXWKEWMRJN-UHFFFAOYSA-N 0 1 293.333 3.711 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)C1CCCCC1 ZINC000514791287 1122451285 /nfs/dbraw/zinc/45/12/85/1122451285.db2.gz LYBNZHWRWRXTGN-UKRRQHHQSA-N 0 1 269.429 3.634 20 0 CHADMN COc1ccc([C@H]2CCCN2Cc2cncn2C(C)C)cc1 ZINC000425323889 1122452819 /nfs/dbraw/zinc/45/28/19/1122452819.db2.gz LSOUTPMGZYOQSU-GOSISDBHSA-N 0 1 299.418 3.810 20 0 CHADMN COc1cccc(Cc2cc(Cl)c(O)cc2F)c1 ZINC001250265586 1122455735 /nfs/dbraw/zinc/45/57/35/1122455735.db2.gz DCMXEGOGGHRKBF-UHFFFAOYSA-N 0 1 266.699 3.784 20 0 CHADMN CC(C)n1cncc1CN(C)Cc1cccc2[nH]ccc21 ZINC000425338059 1122457829 /nfs/dbraw/zinc/45/78/29/1122457829.db2.gz ONKCXITVZUXILX-UHFFFAOYSA-N 0 1 282.391 3.577 20 0 CHADMN Cc1cc(C(=O)Nc2cc(Cl)c(C)c(Cl)c2O)c[nH]1 ZINC001188198508 1122458498 /nfs/dbraw/zinc/45/84/98/1122458498.db2.gz XGESWECYPGLRNB-UHFFFAOYSA-N 0 1 299.157 3.896 20 0 CHADMN FC(F)(F)c1ccccc1CN1CC[C@@H]2CCCO[C@H]2C1 ZINC001203687217 1122473199 /nfs/dbraw/zinc/47/31/99/1122473199.db2.gz KWLIBZVOPPIXQB-WFASDCNBSA-N 0 1 299.336 3.706 20 0 CHADMN CCc1ccnc(CNc2cc(C)nc3ccc(F)cc32)c1 ZINC000435605531 1122478549 /nfs/dbraw/zinc/47/85/49/1122478549.db2.gz IKXWFQRVYKQOBM-UHFFFAOYSA-N 0 1 295.361 3.674 20 0 CHADMN CN(C)Cc1cccc(CCc2ccc(F)cc2)c1F ZINC001250327515 1122495669 /nfs/dbraw/zinc/49/56/69/1122495669.db2.gz AWRJSWACWYGKRG-UHFFFAOYSA-N 0 1 275.342 3.812 20 0 CHADMN C[C@H](N[C@H]1CCCOc2cc(Cl)ccc21)c1cn[nH]c1 ZINC000285014277 1122498310 /nfs/dbraw/zinc/49/83/10/1122498310.db2.gz HFLKWDZDBGZBRA-HZMBPMFUSA-N 0 1 291.782 3.628 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2snnc2C)c(C)s1 ZINC000930196989 1122503174 /nfs/dbraw/zinc/50/31/74/1122503174.db2.gz MJKYCQJAFOACOB-IUCAKERBSA-N 0 1 281.450 3.937 20 0 CHADMN Cc1cc(N2CC[C@H]3C[C@H]3C2)c2cc(F)ccc2n1 ZINC000664522677 1122511428 /nfs/dbraw/zinc/51/14/28/1122511428.db2.gz GOTUATIWNPRYKM-RYUDHWBXSA-N 0 1 256.324 3.529 20 0 CHADMN Cc1noc(CN([C@H](C)c2ccccc2)C2CCCC2)n1 ZINC000425463695 1122513527 /nfs/dbraw/zinc/51/35/27/1122513527.db2.gz YKLHOGCPAZKDKI-CYBMUJFWSA-N 0 1 285.391 3.884 20 0 CHADMN Cc1nccc(N2CC3(CCCC3)OC[C@@H]2C)c1Cl ZINC000664531049 1122519657 /nfs/dbraw/zinc/51/96/57/1122519657.db2.gz KHWAZRSAHRUHFJ-NSHDSACASA-N 0 1 280.799 3.581 20 0 CHADMN CCc1cccc(C)c1NC([O-])=[NH+]c1ccnc2c1CCC2 ZINC001189948352 1122520509 /nfs/dbraw/zinc/52/05/09/1122520509.db2.gz WSBOTCIWRMXBSS-UHFFFAOYSA-N 0 1 295.386 3.507 20 0 CHADMN c1ccc2c(c1)nccc2N1CCOC(C2CC2)(C2CC2)C1 ZINC000664535396 1122523752 /nfs/dbraw/zinc/52/37/52/1122523752.db2.gz NDOXBQKPEPOOIT-UHFFFAOYSA-N 0 1 294.398 3.630 20 0 CHADMN CCc1nc([C@H](C)SCc2cccc(F)c2F)n[nH]1 ZINC001190078930 1122526418 /nfs/dbraw/zinc/52/64/18/1122526418.db2.gz OBBRMWBTXKTXON-QMMMGPOBSA-N 0 1 283.347 3.640 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC001190126827 1122527009 /nfs/dbraw/zinc/52/70/09/1122527009.db2.gz PHOXJXCQPZQWET-LLVKDONJSA-N 0 1 271.364 3.738 20 0 CHADMN COc1ccc(CN2CCC=C(C)C2)c(Cl)c1 ZINC000436267558 1122527384 /nfs/dbraw/zinc/52/73/84/1122527384.db2.gz DLBLSIOGEXAUDH-UHFFFAOYSA-N 0 1 251.757 3.501 20 0 CHADMN CC[C@H](NC[C@]1(C)CC1(Cl)Cl)c1nccs1 ZINC000828802591 1122529594 /nfs/dbraw/zinc/52/95/94/1122529594.db2.gz DOYFFTANDMDUQS-WPRPVWTQSA-N 0 1 279.236 3.768 20 0 CHADMN CC(C)CCN1Cc2cccc(NC(=O)/C=C/C3CC3)c2C1 ZINC000079989587 1129060619 /nfs/dbraw/zinc/06/06/19/1129060619.db2.gz XARTXCHICODCMA-CMDGGOBGSA-N 0 1 298.430 3.953 20 0 CHADMN C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1cnn(C)c1 ZINC000505785905 1122533137 /nfs/dbraw/zinc/53/31/37/1122533137.db2.gz WUTRSSCNJMBDJI-LLVKDONJSA-N 0 1 297.324 3.632 20 0 CHADMN C[C@H](c1cccc(C(F)(F)F)c1)N(C)Cc1cnn(C)c1 ZINC000505785905 1122533138 /nfs/dbraw/zinc/53/31/38/1122533138.db2.gz WUTRSSCNJMBDJI-LLVKDONJSA-N 0 1 297.324 3.632 20 0 CHADMN CN1Cc2ccc(NCc3cc4c(cccc4F)[nH]3)cc2C1 ZINC000436295550 1122534156 /nfs/dbraw/zinc/53/41/56/1122534156.db2.gz RMILPZKIAAZZLK-UHFFFAOYSA-N 0 1 295.361 3.865 20 0 CHADMN C[C@H]1CN(Cc2csc3ccccc23)C[C@H](C)O1 ZINC000077409841 1122537492 /nfs/dbraw/zinc/53/74/92/1122537492.db2.gz VVAAZHFGRNSYPC-RYUDHWBXSA-N 0 1 261.390 3.511 20 0 CHADMN CCOC(=O)[C@@H](CCc1ccccc1)N(C)CCC(C)C ZINC001190426449 1122537869 /nfs/dbraw/zinc/53/78/69/1122537869.db2.gz GVBUGIILLACDBU-QGZVFWFLSA-N 0 1 291.435 3.529 20 0 CHADMN C[C@@H]1CO[C@@H](C)CN1CCCOc1cccc2ccccc21 ZINC000515780661 1122538253 /nfs/dbraw/zinc/53/82/53/1122538253.db2.gz WYRCSUCWSQWGLC-CVEARBPZSA-N 0 1 299.414 3.718 20 0 CHADMN CCc1ccccc1CN[C@H](C)c1cc(C)ccn1 ZINC000286217757 1122540108 /nfs/dbraw/zinc/54/01/08/1122540108.db2.gz SHDORUDYWXEYCT-CQSZACIVSA-N 0 1 254.377 3.803 20 0 CHADMN CO[C@@H]1CC[C@H](N(C)Cc2c(Cl)cccc2Cl)C1 ZINC001190560950 1122543541 /nfs/dbraw/zinc/54/35/41/1122543541.db2.gz MXHFIMWGEPJWRP-WDEREUQCSA-N 0 1 288.218 3.993 20 0 CHADMN CCN(Cc1cnc(C)cn1)[C@@H](C)c1ccc(F)cc1 ZINC000505803973 1122543656 /nfs/dbraw/zinc/54/36/56/1122543656.db2.gz XAQUQNYTPIEKMY-ZDUSSCGKSA-N 0 1 273.355 3.507 20 0 CHADMN Fc1cccc(Cl)c1CN[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000515918416 1122552729 /nfs/dbraw/zinc/55/27/29/1122552729.db2.gz BURJBJLRYXGLME-OAUYIBNBSA-N 0 1 287.765 3.907 20 0 CHADMN Brc1cccc2c1CCN(CCCC1CC1)C2 ZINC001190723182 1122553061 /nfs/dbraw/zinc/55/30/61/1122553061.db2.gz UQPBFZFUHOIDJS-UHFFFAOYSA-N 0 1 294.236 3.997 20 0 CHADMN CCC1CCN(Cc2nsc3ccccc32)CC1 ZINC001190864409 1122558714 /nfs/dbraw/zinc/55/87/14/1122558714.db2.gz GVJLGVNGEQSGEN-UHFFFAOYSA-N 0 1 260.406 3.918 20 0 CHADMN Clc1cccc([C@H](NC2CCC2)c2ccccn2)c1 ZINC000121385960 1122559984 /nfs/dbraw/zinc/55/99/84/1122559984.db2.gz DIIHBKVBDHRKIM-INIZCTEOSA-N 0 1 272.779 3.967 20 0 CHADMN CN(CC(C)(C)C)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000436545120 1122561087 /nfs/dbraw/zinc/56/10/87/1122561087.db2.gz RBUKULNLDSOULK-UHFFFAOYSA-N 0 1 290.190 3.817 20 0 CHADMN C[N@@H+](Cc1cc([O-])c(Cl)c(F)c1F)C1CCCC1 ZINC001250408408 1122561123 /nfs/dbraw/zinc/56/11/23/1122561123.db2.gz GPOMERROHAJMLI-UHFFFAOYSA-N 0 1 275.726 3.698 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H]2CCCC2(C)C)c1 ZINC000436653321 1122567751 /nfs/dbraw/zinc/56/77/51/1122567751.db2.gz UERZTKFEMFTHGN-GFCCVEGCSA-N 0 1 289.375 3.750 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C[C@@H]2CCC[C@@H]2C)c1 ZINC000436651291 1122568389 /nfs/dbraw/zinc/56/83/89/1122568389.db2.gz VHXOJTGRRSOBCE-RYUDHWBXSA-N 0 1 289.375 3.750 20 0 CHADMN Fc1cccc(Cl)c1CNC[C@H]1COc2ccccc21 ZINC000516111514 1122569996 /nfs/dbraw/zinc/56/99/96/1122569996.db2.gz SVQWWOQAGOAERF-NSHDSACASA-N 0 1 291.753 3.745 20 0 CHADMN CCOc1cccc(CN(CC)Cc2ccccc2)n1 ZINC000505858937 1122570523 /nfs/dbraw/zinc/57/05/23/1122570523.db2.gz MSNCDEKPIKXZAU-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN CC[C@H]1CN(Cc2cccc(C(C)(C)C)c2)C[C@@H](C)O1 ZINC001191048847 1122571167 /nfs/dbraw/zinc/57/11/67/1122571167.db2.gz UKPSMRSFHVJAOS-PBHICJAKSA-N 0 1 275.436 3.983 20 0 CHADMN Cc1cc2cc(NC(=O)c3ccc(F)cc3O)ccc2[nH]1 ZINC000436759707 1122578873 /nfs/dbraw/zinc/57/88/73/1122578873.db2.gz DYNFZSVJAJDURU-UHFFFAOYSA-N 0 1 284.290 3.573 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1cnn(-c2ccccc2)n1 ZINC001191133164 1122579960 /nfs/dbraw/zinc/57/99/60/1122579960.db2.gz OAAWDYBFFUIPNS-QAPCUYQASA-N 0 1 298.434 3.668 20 0 CHADMN CC(C)c1ccccc1N(C)C(=O)c1c(O)cccc1F ZINC000436784527 1122583599 /nfs/dbraw/zinc/58/35/99/1122583599.db2.gz QQQFHXRFXHWDKK-UHFFFAOYSA-N 0 1 287.334 3.931 20 0 CHADMN C[C@H]1c2c(F)cccc2CCN1C[C@H]1CC(C)(C)CO1 ZINC001191175919 1122583703 /nfs/dbraw/zinc/58/37/03/1122583703.db2.gz UYXASGHSPAAWHW-GXTWGEPZSA-N 0 1 277.383 3.560 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)CCCc2ccccc2)c1 ZINC000436873726 1122590271 /nfs/dbraw/zinc/59/02/71/1122590271.db2.gz XJFHPUNDJQUCOW-UHFFFAOYSA-N 0 1 297.354 3.556 20 0 CHADMN CCc1cnc(CN(C)C[C@H]2CCCC[C@H]2C)s1 ZINC001191358546 1122592725 /nfs/dbraw/zinc/59/27/25/1122592725.db2.gz MQSYVFRZJXOTNA-CHWSQXEVSA-N 0 1 266.454 3.964 20 0 CHADMN CCCC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC001191358715 1122592883 /nfs/dbraw/zinc/59/28/83/1122592883.db2.gz OZGRNFARSPBVEQ-UHFFFAOYSA-N 0 1 253.336 3.977 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1nnc(C2CC2)o1 ZINC000516394933 1122595797 /nfs/dbraw/zinc/59/57/97/1122595797.db2.gz QSTQYULELOTONL-XJKCOSOUSA-N 0 1 297.402 3.714 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1Cc1nnc(C2CC2)o1 ZINC000516394933 1122595801 /nfs/dbraw/zinc/59/58/01/1122595801.db2.gz QSTQYULELOTONL-XJKCOSOUSA-N 0 1 297.402 3.714 20 0 CHADMN Cc1cc2[nH]c(-c3cc(F)c(O)c(F)c3)nc2c(F)c1 ZINC000436947585 1122597992 /nfs/dbraw/zinc/59/79/92/1122597992.db2.gz GROWKZQALPNTDC-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN Cn1cc(CN(Cc2ccc3ccccc3c2)C2CC2)cn1 ZINC000505913371 1122599814 /nfs/dbraw/zinc/59/98/14/1122599814.db2.gz SMWHHNKMXYQBTK-UHFFFAOYSA-N 0 1 291.398 3.738 20 0 CHADMN CC[C@H](C)[C@H](C)N(C(=O)c1c(O)cccc1F)C1CC1 ZINC000436988794 1122601461 /nfs/dbraw/zinc/60/14/61/1122601461.db2.gz MQTDMXOJAPDZNR-QWRGUYRKSA-N 0 1 279.355 3.571 20 0 CHADMN CC(C)[C@@H](CC(F)(F)F)N[C@H](C)c1nccs1 ZINC000437092330 1122611598 /nfs/dbraw/zinc/61/15/98/1122611598.db2.gz ZXJXDNCELFXHCS-RKDXNWHRSA-N 0 1 266.332 3.771 20 0 CHADMN O=C(NCC1CCCCCC1)c1ccc(O)c(Cl)c1 ZINC000389476536 1122615498 /nfs/dbraw/zinc/61/54/98/1122615498.db2.gz OBZGBWGQUMSYDJ-UHFFFAOYSA-N 0 1 281.783 3.746 20 0 CHADMN CC(C)c1cc(C(=O)N2CCCC[C@@H]2CC2CCC2)n[nH]1 ZINC000620573373 1129066535 /nfs/dbraw/zinc/06/65/35/1129066535.db2.gz JXGMBPKPBAASHR-CQSZACIVSA-N 0 1 289.423 3.718 20 0 CHADMN CCCCCN(C)c1ccc(F)cc1CNCCF ZINC000437255380 1122622759 /nfs/dbraw/zinc/62/27/59/1122622759.db2.gz LUZXBWOAYQMKRB-UHFFFAOYSA-N 0 1 270.367 3.511 20 0 CHADMN FCCNCc1c(OC(F)F)ccc2ccccc21 ZINC000437262616 1122623629 /nfs/dbraw/zinc/62/36/29/1122623629.db2.gz LHUZTTQEPNREMA-UHFFFAOYSA-N 0 1 269.266 3.500 20 0 CHADMN C[C@@H]1C[C@H](NCc2cn3ccsc3n2)c2ccccc21 ZINC000289163889 1122623730 /nfs/dbraw/zinc/62/37/30/1122623730.db2.gz HCTPBOWLEHFWJM-ABAIWWIYSA-N 0 1 283.400 3.734 20 0 CHADMN CCCCC[C@H]1CCCN1CC(=O)OCc1ccccc1 ZINC001192202261 1122633061 /nfs/dbraw/zinc/63/30/61/1122633061.db2.gz YOTJPIUYZFFYHT-KRWDZBQOSA-N 0 1 289.419 3.775 20 0 CHADMN CC(C)N(CCCC(C)(C)C)CC(=O)OC(C)(C)C ZINC001192261933 1122637374 /nfs/dbraw/zinc/63/73/74/1122637374.db2.gz MSUJZXYGBPLZCB-UHFFFAOYSA-N 0 1 271.445 3.865 20 0 CHADMN CC[N@@H+](Cc1cnc2c(C)cccn12)Cc1cccc(F)c1 ZINC000506059625 1122638372 /nfs/dbraw/zinc/63/83/72/1122638372.db2.gz LAUWUJOQBWSPGV-UHFFFAOYSA-N 0 1 297.377 3.804 20 0 CHADMN CCN(Cc1cnc2c(C)cccn12)Cc1cccc(F)c1 ZINC000506059625 1122638375 /nfs/dbraw/zinc/63/83/75/1122638375.db2.gz LAUWUJOQBWSPGV-UHFFFAOYSA-N 0 1 297.377 3.804 20 0 CHADMN CC(C)N(C(=O)CN(C)[C@H](C)C1(C)CC1)c1ccccc1 ZINC000437507696 1122639234 /nfs/dbraw/zinc/63/92/34/1122639234.db2.gz MQKARWAFLAJSLF-OAHLLOKOSA-N 0 1 288.435 3.548 20 0 CHADMN COC/C(C)=C/CN1CCC(=Cc2cccc(F)c2)CC1 ZINC001192379591 1122642995 /nfs/dbraw/zinc/64/29/95/1122642995.db2.gz HLANLTPVQZPZCA-GIDUJCDVSA-N 0 1 289.394 3.898 20 0 CHADMN Cn1cccc1[C@H]1CCCN1Cc1cc2c(cccc2F)[nH]1 ZINC000437580658 1122644043 /nfs/dbraw/zinc/64/40/43/1122644043.db2.gz UKPAGZCEUDDUFQ-GOSISDBHSA-N 0 1 297.377 3.983 20 0 CHADMN Cn1c2ccccc2nc1[C@H]1CCCN1[C@@H]1C=CCCC1 ZINC000437585809 1122645004 /nfs/dbraw/zinc/64/50/04/1122645004.db2.gz AYUQJPZODJSDMB-RHSMWYFYSA-N 0 1 281.403 3.819 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001192392354 1122645052 /nfs/dbraw/zinc/64/50/52/1122645052.db2.gz XTWSPKHWMJEIHQ-JIMOISOXSA-N 0 1 271.738 3.988 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@H](Sc3ccncc3)C2)o1 ZINC001203294170 1122648866 /nfs/dbraw/zinc/64/88/66/1122648866.db2.gz UWFPHQBMKVEFQY-INIZCTEOSA-N 0 1 288.416 3.740 20 0 CHADMN Cc1ccc2cc(CN(C)CCC(F)(F)F)ccc2n1 ZINC000437689317 1122649945 /nfs/dbraw/zinc/64/99/45/1122649945.db2.gz SNLBZYIXLPOMFY-UHFFFAOYSA-N 0 1 282.309 3.927 20 0 CHADMN CC[C@@H](NCc1cc(C)nc(C)n1)c1ccc(C)c(F)c1 ZINC001192565147 1122651044 /nfs/dbraw/zinc/65/10/44/1122651044.db2.gz IAHIKLDNQMXPRB-QGZVFWFLSA-N 0 1 287.382 3.782 20 0 CHADMN CCC[C@@H](NC/C=C(\C)C(=O)OC)c1ccc(F)cc1F ZINC000775543700 1122658109 /nfs/dbraw/zinc/65/81/09/1122658109.db2.gz WZTZOKYKQVKICU-KUCQQTCKSA-N 0 1 297.345 3.515 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cccc(N(C)C)n2)cc1 ZINC001192719163 1122658143 /nfs/dbraw/zinc/65/81/43/1122658143.db2.gz INKNPEVDSLGMOZ-UHFFFAOYSA-N 0 1 297.446 3.735 20 0 CHADMN CC[C@](C)(NCC(=O)c1ccccc1F)c1ccccc1 ZINC001192791267 1122660292 /nfs/dbraw/zinc/66/02/92/1122660292.db2.gz IRMYHLBOAWNZMR-SFHVURJKSA-N 0 1 285.362 3.923 20 0 CHADMN Cc1cccc(CN(C)[C@H]2CCc3ccc(F)cc32)n1 ZINC000437903421 1122662993 /nfs/dbraw/zinc/66/29/93/1122662993.db2.gz SVTGUPAAVFUPIO-KRWDZBQOSA-N 0 1 270.351 3.648 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2cccc(F)c2Cl)C[C@@H]1O ZINC001192946812 1122663660 /nfs/dbraw/zinc/66/36/60/1122663660.db2.gz LQEJIWHCAJRYSO-JSGCOSHPSA-N 0 1 299.817 3.708 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1c[nH]c(=O)c2ccccc12 ZINC001193043145 1122668877 /nfs/dbraw/zinc/66/88/77/1122668877.db2.gz FPXZHGSUWGMWBR-ZDUSSCGKSA-N 0 1 293.370 3.528 20 0 CHADMN CN1CCN(Cc2ccccc2CF)[C@H](c2ccccc2)C1 ZINC001193021974 1122670793 /nfs/dbraw/zinc/67/07/93/1122670793.db2.gz NLIMDMFVMYYPSC-IBGZPJMESA-N 0 1 298.405 3.645 20 0 CHADMN CCOC(=O)[C@H](CC)N(CCC(C)(C)CC)C1CC1 ZINC001193564619 1122697976 /nfs/dbraw/zinc/69/79/76/1122697976.db2.gz TZQJTADTQQHJFY-AWEZNQCLSA-N 0 1 269.429 3.619 20 0 CHADMN CCCCCN(CCCOC)Cc1scnc1Cl ZINC001193293564 1122683375 /nfs/dbraw/zinc/68/33/75/1122683375.db2.gz NKVPZFIXBFONAM-UHFFFAOYSA-N 0 1 290.860 3.825 20 0 CHADMN CCC[N@@H+](CCCCC(F)(F)F)[C@H](CC)C(=O)OCC ZINC001193365447 1122686615 /nfs/dbraw/zinc/68/66/15/1122686615.db2.gz RZBANQRVIISGMK-GFCCVEGCSA-N 0 1 297.361 3.773 20 0 CHADMN CCN(Cc1c(F)cncc1F)[C@@H]1CCCC[C@H]1C ZINC001193412601 1122690659 /nfs/dbraw/zinc/69/06/59/1122690659.db2.gz FTEKBHIGTBANHS-IAQYHMDHSA-N 0 1 268.351 3.760 20 0 CHADMN CCN(Cc1c(F)cncc1F)[C@H]1CCCC[C@H]1C ZINC001193412599 1122690666 /nfs/dbraw/zinc/69/06/66/1122690666.db2.gz FTEKBHIGTBANHS-ABAIWWIYSA-N 0 1 268.351 3.760 20 0 CHADMN CCc1nc(CN2CCC[C@H](C(C)C)C2)cs1 ZINC000438326275 1122691296 /nfs/dbraw/zinc/69/12/96/1122691296.db2.gz OTDJGPZITWZWOI-LBPRGKRZSA-N 0 1 252.427 3.574 20 0 CHADMN C[C@@H]1CN(Cc2csc3ccccc23)[C@@H](C)[C@@H](C)O1 ZINC000438358312 1122693483 /nfs/dbraw/zinc/69/34/83/1122693483.db2.gz VAMQVBIEZCLHNO-FRRDWIJNSA-N 0 1 275.417 3.899 20 0 CHADMN Cc1cc(CN[C@H]2C[C@@H](C)c3c2cccc3C)on1 ZINC000153606607 1129072311 /nfs/dbraw/zinc/07/23/11/1129072311.db2.gz VELDVEKJDBKPQO-ABAIWWIYSA-N 0 1 256.349 3.630 20 0 CHADMN c1nnc([C@H](NC2(c3ccccc3)CC2)C2CCCCC2)[nH]1 ZINC000638529994 1122718487 /nfs/dbraw/zinc/71/84/87/1122718487.db2.gz VYPQCJBCXLWXSY-MRXNPFEDSA-N 0 1 296.418 3.705 20 0 CHADMN COCC[N@@H+](C)Cc1ccc(-c2ccccc2F)s1 ZINC000506352319 1122723169 /nfs/dbraw/zinc/72/31/69/1122723169.db2.gz GLKXRYUGYHJBCZ-UHFFFAOYSA-N 0 1 279.380 3.632 20 0 CHADMN CN(CC[C@@H]1CCCC1(F)F)Cc1cc(C(C)(C)C)n[nH]1 ZINC001193870488 1122726710 /nfs/dbraw/zinc/72/67/10/1122726710.db2.gz DGKDLMPSAWLSSF-LBPRGKRZSA-N 0 1 299.409 3.965 20 0 CHADMN CC/C(C)=C/C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000294721229 1122734885 /nfs/dbraw/zinc/73/48/85/1122734885.db2.gz MQPQDCWBIXDGMY-PCUGXKRQSA-N 0 1 297.402 3.891 20 0 CHADMN COc1ccc(C[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000506451331 1122742756 /nfs/dbraw/zinc/74/27/56/1122742756.db2.gz KARPPBGEZVEBOG-SFHVURJKSA-N 0 1 299.439 3.985 20 0 CHADMN COc1ccc(CN2CCSC[C@H]2c2ccccc2)cc1 ZINC000506451331 1122742759 /nfs/dbraw/zinc/74/27/59/1122742759.db2.gz KARPPBGEZVEBOG-SFHVURJKSA-N 0 1 299.439 3.985 20 0 CHADMN CC(C)c1ccoc1-c1noc(CN2[C@H](C)CC[C@@H]2C)n1 ZINC000426239853 1122742937 /nfs/dbraw/zinc/74/29/37/1122742937.db2.gz PZDNFFKFXYHUKC-TXEJJXNPSA-N 0 1 289.379 3.826 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCOC2(CCCCC2)C1 ZINC001194058039 1122743552 /nfs/dbraw/zinc/74/35/52/1122743552.db2.gz HZNGXNSPSVQBHA-IAGOWNOFSA-N 0 1 295.467 3.617 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCCN1CCOC2(CCCCC2)C1 ZINC001194058039 1122743556 /nfs/dbraw/zinc/74/35/56/1122743556.db2.gz HZNGXNSPSVQBHA-IAGOWNOFSA-N 0 1 295.467 3.617 20 0 CHADMN FC1(F)CCCC[C@@H]1C[N@H+]1CCOC2(CCCCC2)C1 ZINC001194058627 1122744132 /nfs/dbraw/zinc/74/41/32/1122744132.db2.gz SQBNSOCFTHBZAD-CQSZACIVSA-N 0 1 287.394 3.847 20 0 CHADMN CC(C)(C)[C@H]1CN(C[C@@H]2CCC3(CCCCC3)O2)CCO1 ZINC000578410673 1122752740 /nfs/dbraw/zinc/75/27/40/1122752740.db2.gz OLHRHKBFFMOYKK-JKSUJKDBSA-N 0 1 295.467 3.615 20 0 CHADMN CCOC1CC(CN2CCc3c(Cl)cc(F)cc3C2)C1 ZINC000295808228 1122756314 /nfs/dbraw/zinc/75/63/14/1122756314.db2.gz WSEGZWAZSWPYKC-UHFFFAOYSA-N 0 1 297.801 3.652 20 0 CHADMN Cc1ccc(OC(F)F)c(CNCc2ccncc2C)c1 ZINC000295824592 1122757829 /nfs/dbraw/zinc/75/78/29/1122757829.db2.gz UXLKKONPCADJEV-UHFFFAOYSA-N 0 1 292.329 3.590 20 0 CHADMN c1sc2ccccc2c1CN1CCOCC2(CCC2)C1 ZINC000353578689 1122762288 /nfs/dbraw/zinc/76/22/88/1122762288.db2.gz DMVOHTSRISYTIC-UHFFFAOYSA-N 0 1 287.428 3.904 20 0 CHADMN CCCc1csc(C[N@@H+](C)C[C@@H]2CC=CCC2)n1 ZINC000426358370 1122774185 /nfs/dbraw/zinc/77/41/85/1122774185.db2.gz GPRIRCJUXNCOLW-CYBMUJFWSA-N 0 1 264.438 3.884 20 0 CHADMN CCCc1csc(CN(C)C[C@@H]2CC=CCC2)n1 ZINC000426358370 1122774188 /nfs/dbraw/zinc/77/41/88/1122774188.db2.gz GPRIRCJUXNCOLW-CYBMUJFWSA-N 0 1 264.438 3.884 20 0 CHADMN Cc1ccc(OC(=O)Nc2c(O)cc(F)cc2F)cc1 ZINC001194458074 1122775142 /nfs/dbraw/zinc/77/51/42/1122775142.db2.gz HDZHTAPYYHXNDY-UHFFFAOYSA-N 0 1 279.242 3.590 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2cc(F)ccc2F)CCCO1 ZINC000439483797 1122785558 /nfs/dbraw/zinc/78/55/58/1122785558.db2.gz MGUHAFAYTAQDIX-WCQYABFASA-N 0 1 269.335 3.527 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1C[C@@H](C)c2ccccc21 ZINC000289102607 1129077954 /nfs/dbraw/zinc/07/79/54/1129077954.db2.gz CGGMZFGGIAVPHX-QLJPJBMISA-N 0 1 256.349 3.630 20 0 CHADMN Clc1cccc(CN2CC[C@H](Oc3ccccc3)C2)c1 ZINC001203800609 1122792741 /nfs/dbraw/zinc/79/27/41/1122792741.db2.gz YHEUUQIKSVZITA-KRWDZBQOSA-N 0 1 287.790 3.993 20 0 CHADMN Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(C)nc1)CCC2 ZINC000153898480 1129078449 /nfs/dbraw/zinc/07/84/49/1129078449.db2.gz OFXPTBOOUWEGFE-HNNXBMFYSA-N 0 1 287.432 3.664 20 0 CHADMN CC(C)(C)c1nc(CN2CC[C@H]3CCC[C@@H]32)cs1 ZINC000426458996 1122797271 /nfs/dbraw/zinc/79/72/71/1122797271.db2.gz KTNCTFGUQIJOTA-YPMHNXCESA-N 0 1 264.438 3.815 20 0 CHADMN Fc1ccc(/C=C/CN2CCc3sccc3C2)cc1 ZINC000506689401 1122807934 /nfs/dbraw/zinc/80/79/34/1122807934.db2.gz KNXIUTJIRORPRF-OWOJBTEDSA-N 0 1 273.376 3.959 20 0 CHADMN CCn1nc(C)c(CN[C@H](C)c2ccc(F)c(F)c2)c1C ZINC000307968453 1129079541 /nfs/dbraw/zinc/07/95/41/1129079541.db2.gz XAWIZUPEUHXYSR-SNVBAGLBSA-N 0 1 293.361 3.649 20 0 CHADMN C[Si](C)(C)c1ccc(CN2CCCc3occc3C2)cc1 ZINC001194864212 1122814218 /nfs/dbraw/zinc/81/42/18/1122814218.db2.gz KVDDJSNFDIUMDA-UHFFFAOYSA-N 0 1 299.490 3.773 20 0 CHADMN CCOC[C@@H]1CCCCN1Cc1cc(F)ccc1Cl ZINC001195029168 1122832708 /nfs/dbraw/zinc/83/27/08/1122832708.db2.gz RZAKMJYFJXCHAL-AWEZNQCLSA-N 0 1 285.790 3.870 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H](C)c2cc3ccccc3[nH]2)n[nH]1 ZINC000775630865 1122834719 /nfs/dbraw/zinc/83/47/19/1122834719.db2.gz UAQPJBCXTIURAV-NWDGAFQWSA-N 0 1 297.406 3.821 20 0 CHADMN CC(C)=CCCN([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC001195044730 1122834899 /nfs/dbraw/zinc/83/48/99/1122834899.db2.gz BUELFKBBPCYXAZ-CYBMUJFWSA-N 0 1 267.413 3.537 20 0 CHADMN CCCn1ncnc1CN1CC[C@@H](CC(C)(C)C)C1(C)C ZINC001195056126 1122835902 /nfs/dbraw/zinc/83/59/02/1122835902.db2.gz ZAIKQKSDDDLYIQ-AWEZNQCLSA-N 0 1 292.471 3.725 20 0 CHADMN C[C@@H](NC[C@H](O)c1ccc2ccccc2c1)c1nccs1 ZINC000080305382 1129082420 /nfs/dbraw/zinc/08/24/20/1129082420.db2.gz WNFOADYWXNYZFG-WBMJQRKESA-N 0 1 298.411 3.681 20 0 CHADMN C[C@@H]1Cc2cc(CN3CCC[C@@H]3c3cccnc3)ccc2O1 ZINC000894448975 1122855358 /nfs/dbraw/zinc/85/53/58/1122855358.db2.gz IBSYOSGJDLTHLZ-RDTXWAMCSA-N 0 1 294.398 3.742 20 0 CHADMN Cc1coc(CN2C[C@H](C)C[C@@H]2c2cccnc2)c1 ZINC000894461204 1122858541 /nfs/dbraw/zinc/85/85/41/1122858541.db2.gz DAOWABBRINHTNL-MLGOLLRUSA-N 0 1 256.349 3.566 20 0 CHADMN Cc1ncoc1CN[C@H]1c2ccccc2CCC[C@@H]1C ZINC000894470958 1122859592 /nfs/dbraw/zinc/85/95/92/1122859592.db2.gz OXCVFAOMHMREMY-YVEFUNNKSA-N 0 1 270.376 3.786 20 0 CHADMN c1cncc(CN(Cc2ccc3c(c2)CCCO3)C2CC2)c1 ZINC000894489546 1122862707 /nfs/dbraw/zinc/86/27/07/1122862707.db2.gz CWGMXTMKLNLZBJ-UHFFFAOYSA-N 0 1 294.398 3.571 20 0 CHADMN COC(=O)c1cnc([C@H](C)NC[C@@H](C)CC(C)(C)C)s1 ZINC001195334254 1122866137 /nfs/dbraw/zinc/86/61/37/1122866137.db2.gz NYNTXVITBRWPFS-QWRGUYRKSA-N 0 1 298.452 3.653 20 0 CHADMN Cc1ccc(F)c(NC(=O)c2cc(-c3ccccc3)n[nH]2)c1 ZINC000008280647 1122867969 /nfs/dbraw/zinc/86/79/69/1122867969.db2.gz GFFSJQDDAWKGFF-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN C[C@@H]1CN(Cc2cn(C)nc2C2CCCC2)CCC1(F)F ZINC000894534951 1122869526 /nfs/dbraw/zinc/86/95/26/1122869526.db2.gz XOUAMRWSMPNHDS-GFCCVEGCSA-N 0 1 297.393 3.555 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1[nH]nc(C)c1C ZINC000894564063 1122873589 /nfs/dbraw/zinc/87/35/89/1122873589.db2.gz ZZRAVKMIUAGFEF-JLHYYAGUSA-N 0 1 269.392 3.562 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1n[nH]c(C)c1C ZINC000894564063 1122873595 /nfs/dbraw/zinc/87/35/95/1122873595.db2.gz ZZRAVKMIUAGFEF-JLHYYAGUSA-N 0 1 269.392 3.562 20 0 CHADMN CC1(C)CN(CCCOc2ccccc2)[C@@H]1c1ccncc1 ZINC000664835130 1122882884 /nfs/dbraw/zinc/88/28/84/1122882884.db2.gz YYZYESOPIQOILU-GOSISDBHSA-N 0 1 296.414 3.934 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1nccn1C1CC1 ZINC000894626331 1122884396 /nfs/dbraw/zinc/88/43/96/1122884396.db2.gz QARFYZTYAWBXSY-UHFFFAOYSA-N 0 1 269.392 3.551 20 0 CHADMN Oc1c(Cl)cccc1NC(=S)Nc1ccccc1F ZINC001195773693 1122886878 /nfs/dbraw/zinc/88/68/78/1122886878.db2.gz YPSWYYVUZNBRSA-UHFFFAOYSA-N 0 1 296.754 3.994 20 0 CHADMN CC[C@H](C)CN1CCN(c2cc(OC)ccc2Cl)CC1 ZINC001195778264 1122887918 /nfs/dbraw/zinc/88/79/18/1122887918.db2.gz QTRBIOGNFZUDIK-ZDUSSCGKSA-N 0 1 296.842 3.517 20 0 CHADMN Fc1ccnc(N=C2CCC(C(F)(F)F)CC2)c1 ZINC001195835073 1122892534 /nfs/dbraw/zinc/89/25/34/1122892534.db2.gz NIDZROXHZPARAE-QMMMGPOBSA-N 0 1 260.234 3.879 20 0 CHADMN COc1ccc(C[C@H]2CCCC[N@H+]2C/C=C/Cl)cc1 ZINC001195872884 1122895113 /nfs/dbraw/zinc/89/51/13/1122895113.db2.gz GDLNGZDKPSURFA-GSDOMDMQSA-N 0 1 279.811 3.845 20 0 CHADMN Cc1ccc(F)c2nc(-c3cc(F)c(O)c(F)c3)[nH]c21 ZINC001250924603 1122895697 /nfs/dbraw/zinc/89/56/97/1122895697.db2.gz IAANWPPQTLORNT-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN c1c2c(oc1-c1ccccc1)CCN(C[C@@H]1CCCCO1)C2 ZINC001195877136 1122896192 /nfs/dbraw/zinc/89/61/92/1122896192.db2.gz RTFUNVXWCLSSPX-KRWDZBQOSA-N 0 1 297.398 3.874 20 0 CHADMN Cc1ccc([C@@H]([NH2+]Cc2coc3ccccc23)C(=O)[O-])cc1 ZINC000426670655 1122900281 /nfs/dbraw/zinc/90/02/81/1122900281.db2.gz HHEWFEZXVLFGLW-QGZVFWFLSA-N 0 1 295.338 3.657 20 0 CHADMN CC(C)c1ncc(C[N@@H+](C)CCCc2ccccc2)cn1 ZINC000440472737 1122900698 /nfs/dbraw/zinc/90/06/98/1122900698.db2.gz LSDSTVRVVHBCDM-UHFFFAOYSA-N 0 1 283.419 3.665 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cccc(C2CC2)c1 ZINC000262052877 1122900858 /nfs/dbraw/zinc/90/08/58/1122900858.db2.gz CZEARALOBLSKKL-KURKYZTESA-N 0 1 299.414 3.782 20 0 CHADMN CC(C)CCc1noc(CN2CCC[C@H](C3CCC3)C2)n1 ZINC001196254824 1122913374 /nfs/dbraw/zinc/91/33/74/1122913374.db2.gz OTUNYKFONFAAKI-HNNXBMFYSA-N 0 1 291.439 3.670 20 0 CHADMN Cc1cccc(CCCN2CCOc3ccc(O)cc3C2)c1 ZINC001196368273 1122919417 /nfs/dbraw/zinc/91/94/17/1122919417.db2.gz YWVVLEZCGKBIDP-UHFFFAOYSA-N 0 1 297.398 3.528 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000507021368 1122920284 /nfs/dbraw/zinc/92/02/84/1122920284.db2.gz JKVKTVOCMBXTQQ-BDAKNGLRSA-N 0 1 289.301 3.583 20 0 CHADMN CCc1nocc1CN1CCC[C@@H]1c1cccc(OC)c1 ZINC000507078383 1122923310 /nfs/dbraw/zinc/92/33/10/1122923310.db2.gz QIYKVDSIKYXMCV-QGZVFWFLSA-N 0 1 286.375 3.583 20 0 CHADMN Cc1ccc(CN(C)C[C@H]2CCC[C@@H](C(F)(F)F)O2)o1 ZINC000929213444 1129087007 /nfs/dbraw/zinc/08/70/07/1129087007.db2.gz ICCADXZZAITOBA-YPMHNXCESA-N 0 1 291.313 3.520 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(C3CCC3)cc2)CCO1 ZINC000507103050 1122924928 /nfs/dbraw/zinc/92/49/28/1122924928.db2.gz NACQOUDFZZTCQW-QGZVFWFLSA-N 0 1 259.393 3.565 20 0 CHADMN Cc1nc(-c2nc3ccc(C)c(C)c3[nH]2)sc1C ZINC001251002350 1122925888 /nfs/dbraw/zinc/92/58/88/1122925888.db2.gz JZMUZFZCFSYYSR-UHFFFAOYSA-N 0 1 257.362 3.920 20 0 CHADMN CCN(CCc1ccccc1)Cc1nc2ccccc2[nH]1 ZINC000507112677 1122926489 /nfs/dbraw/zinc/92/64/89/1122926489.db2.gz WLKKWKKSUMXQSG-UHFFFAOYSA-N 0 1 279.387 3.628 20 0 CHADMN CC[C@H](C(=O)Nc1ccc(C)cc1)N1CCC(C)(F)CC1 ZINC001196583004 1122927698 /nfs/dbraw/zinc/92/76/98/1122927698.db2.gz LYBWBAPACJJJOU-OAHLLOKOSA-N 0 1 292.398 3.536 20 0 CHADMN CCOc1cnc(N=C2CCC(C(F)(F)F)CC2)cn1 ZINC001196769205 1122931940 /nfs/dbraw/zinc/93/19/40/1122931940.db2.gz ZSYSGYXFKWTYMZ-SECBINFHSA-N 0 1 287.285 3.534 20 0 CHADMN CCC1(C)CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000507165736 1122931915 /nfs/dbraw/zinc/93/19/15/1122931915.db2.gz RZJQVZHPAOEVHR-UHFFFAOYSA-N 0 1 291.826 4.000 20 0 CHADMN COc1ccc([C@H](C)NCc2cccc(O)c2)cc1Cl ZINC000154409551 1129087551 /nfs/dbraw/zinc/08/75/51/1129087551.db2.gz MXNXDHATWMJMEJ-NSHDSACASA-N 0 1 291.778 3.905 20 0 CHADMN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CC[C@H](C)C1 ZINC000507162781 1122932661 /nfs/dbraw/zinc/93/26/61/1122932661.db2.gz DUJOXVNJZPKDPO-KKUMJFAQSA-N 0 1 288.435 3.869 20 0 CHADMN COCc1ccc(CN(Cc2cccc(F)c2)C(C)C)o1 ZINC000507156707 1122933449 /nfs/dbraw/zinc/93/34/49/1122933449.db2.gz UTUHHGFXNXUXPO-UHFFFAOYSA-N 0 1 291.366 3.976 20 0 CHADMN CCCN1CCc2cc(C)cc(Br)c2C1 ZINC001196859664 1122937537 /nfs/dbraw/zinc/93/75/37/1122937537.db2.gz HGRREWNZUBKWPN-UHFFFAOYSA-N 0 1 268.198 3.526 20 0 CHADMN Cc1c2[nH]c(-c3nc(Cl)ccc3F)nc2ccc1F ZINC001251069960 1122938973 /nfs/dbraw/zinc/93/89/73/1122938973.db2.gz DQPVBKMBPNMIPD-UHFFFAOYSA-N 0 1 279.677 3.865 20 0 CHADMN CCn1nccc1CN(C)[C@H](C)c1ccc(C)cc1C ZINC000507233671 1122942821 /nfs/dbraw/zinc/94/28/21/1122942821.db2.gz QPIWFGCOMCVAKI-OAHLLOKOSA-N 0 1 271.408 3.713 20 0 CHADMN Cc1cc2nc(-c3ccc(F)c(O)c3F)[nH]c2cc1C ZINC001251234429 1122953752 /nfs/dbraw/zinc/95/37/52/1122953752.db2.gz BOQJDRIRTZHVOT-UHFFFAOYSA-N 0 1 274.270 3.831 20 0 CHADMN C[C@H](c1cccc(F)c1)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664869335 1122955799 /nfs/dbraw/zinc/95/57/99/1122955799.db2.gz TUWCXYOVYMPWHB-GFCCVEGCSA-N 0 1 287.382 3.694 20 0 CHADMN COc1cccc(Cl)c1CN(C)[C@@H](C)C1CC1 ZINC000507452156 1122956165 /nfs/dbraw/zinc/95/61/65/1122956165.db2.gz UBAHZCQETPOOKU-JTQLQIEISA-N 0 1 253.773 3.579 20 0 CHADMN Cc1[nH]c(SCCC[C@H](C)O)nc1Cc1ccccc1 ZINC000427288444 1122956724 /nfs/dbraw/zinc/95/67/24/1122956724.db2.gz PIJVNMYPOOPKHG-LBPRGKRZSA-N 0 1 290.432 3.562 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccc(C)c(OC)c1 ZINC000507470626 1122957904 /nfs/dbraw/zinc/95/79/04/1122957904.db2.gz NIPJVRQSEBQXDE-CQSZACIVSA-N 0 1 284.403 3.812 20 0 CHADMN COc1cc(CN2CC[C@H](C)[C@@H]2c2ccccc2)sn1 ZINC001197657199 1122963846 /nfs/dbraw/zinc/96/38/46/1122963846.db2.gz AAIOZRWTEKQSJL-BLLLJJGKSA-N 0 1 288.416 3.735 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2N[C@H](C)c1ccncc1F ZINC000334182844 1122969153 /nfs/dbraw/zinc/96/91/53/1122969153.db2.gz FIKFDSPSQNFFDB-SJKOYZFVSA-N 0 1 270.351 3.867 20 0 CHADMN Cc1cc(Cl)cc(CN[C@@H]2CCCc3c[nH]nc32)c1 ZINC000334198396 1122969734 /nfs/dbraw/zinc/96/97/34/1122969734.db2.gz LODMMKCHMMEDNG-CQSZACIVSA-N 0 1 275.783 3.539 20 0 CHADMN Cc1cccc(CN2CCO[C@](C)(c3ccc(F)cc3)C2)c1 ZINC001203894798 1122980303 /nfs/dbraw/zinc/98/03/03/1122980303.db2.gz KFELJLJBQCHPSH-IBGZPJMESA-N 0 1 299.389 3.882 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C(C)(C)C1 ZINC000334277809 1122980530 /nfs/dbraw/zinc/98/05/30/1122980530.db2.gz DPBDJAJAOPLDCD-DGCLKSJQSA-N 0 1 280.437 3.615 20 0 CHADMN c1cc(C2CCC2)ccc1CN1CCO[C@H]2CCC[C@H]21 ZINC000507660623 1122984331 /nfs/dbraw/zinc/98/43/31/1122984331.db2.gz OOTTYZDMUMPFEA-MSOLQXFVSA-N 0 1 271.404 3.707 20 0 CHADMN O=C(CN1C[C@@H](C2CC2)C[C@H]1C1CC1)c1ccccc1F ZINC001198287823 1122985844 /nfs/dbraw/zinc/98/58/44/1122985844.db2.gz BDGZGEBHOBKEBP-YOEHRIQHSA-N 0 1 287.378 3.519 20 0 CHADMN CC(C)(C)c1cc2n(n1)CCN(CC1CCCCCC1)C2 ZINC001198363365 1122988626 /nfs/dbraw/zinc/98/86/26/1122988626.db2.gz ONBQBWHJMNKKHK-UHFFFAOYSA-N 0 1 289.467 3.967 20 0 CHADMN Clc1ccc(CN2CC[C@H](COc3ccccc3)C2)o1 ZINC000507719182 1122988933 /nfs/dbraw/zinc/98/89/33/1122988933.db2.gz LKMPYQPTQZTWED-ZDUSSCGKSA-N 0 1 291.778 3.834 20 0 CHADMN COc1cccc(CN2CCCSC[C@@H]2C)c1Cl ZINC001198516988 1122997410 /nfs/dbraw/zinc/99/74/10/1122997410.db2.gz HBJMXVCCWOHPRP-NSHDSACASA-N 0 1 285.840 3.676 20 0 CHADMN CC1(C)CCCN1Cc1ccsc1Br ZINC000306627733 1122999715 /nfs/dbraw/zinc/99/97/15/1122999715.db2.gz IXXHUPNTKJAZMC-UHFFFAOYSA-N 0 1 274.227 3.885 20 0 CHADMN Fc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)nc1 ZINC000334379092 1123000129 /nfs/dbraw/zinc/00/01/29/1123000129.db2.gz YHVUXCJXSHKQCB-MRXNPFEDSA-N 0 1 274.314 3.527 20 0 CHADMN CN(CCCc1cccc2ccccc21)Cc1ccn(C)n1 ZINC001198620136 1123005073 /nfs/dbraw/zinc/00/50/73/1123005073.db2.gz BULQMMUPAWNJAR-UHFFFAOYSA-N 0 1 293.414 3.638 20 0 CHADMN Clc1sccc1CN1CC2(CCOCC2)[C@H]1C1CC1 ZINC000334444523 1123016450 /nfs/dbraw/zinc/01/64/50/1123016450.db2.gz GUUWGMOXLNKVOE-CYBMUJFWSA-N 0 1 297.851 3.793 20 0 CHADMN CC[C@@H](F)CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000440573876 1123017213 /nfs/dbraw/zinc/01/72/13/1123017213.db2.gz IYJCQIXKIFMRBS-IDVQTMNDSA-N 0 1 277.368 3.815 20 0 CHADMN CCCCOC(=O)[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001203922530 1123017652 /nfs/dbraw/zinc/01/76/52/1123017652.db2.gz VXBMZCYMGWKKFF-AWEZNQCLSA-N 0 1 295.810 3.505 20 0 CHADMN Fc1ccc(/C=C/CNCc2ccccc2F)c(F)c1 ZINC001199001320 1123019004 /nfs/dbraw/zinc/01/90/04/1123019004.db2.gz MRFZBBCUOBXHNM-HWKANZROSA-N 0 1 277.289 3.907 20 0 CHADMN CCCCC[C@H](c1nc(C2(N)CCC2)no1)C(C)C ZINC000842617854 1123020708 /nfs/dbraw/zinc/02/07/08/1123020708.db2.gz WWNAUOQOZHTRQY-LBPRGKRZSA-N 0 1 265.401 3.727 20 0 CHADMN COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccncc1C ZINC001205862405 1123026556 /nfs/dbraw/zinc/02/65/56/1123026556.db2.gz ABJHZUCUISRYJY-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1ccncc1C ZINC001205862405 1123026560 /nfs/dbraw/zinc/02/65/60/1123026560.db2.gz ABJHZUCUISRYJY-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN CC[C@H](F)CN(C)Cc1ccc(SC)c(OC)c1 ZINC000440700060 1123030359 /nfs/dbraw/zinc/03/03/59/1123030359.db2.gz WIRDHNGPNRDQNK-LBPRGKRZSA-N 0 1 271.401 3.597 20 0 CHADMN CC[C@H](F)CN1CCSC[C@@H]1c1ccc(C)cc1 ZINC000440700265 1123030544 /nfs/dbraw/zinc/03/05/44/1123030544.db2.gz FDNXDIPOHGDOTN-LSDHHAIUSA-N 0 1 267.413 3.833 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCCc3c[nH]nc32)cc(C)c1F ZINC000334472739 1123034646 /nfs/dbraw/zinc/03/46/46/1123034646.db2.gz IFFZCVLQGLXBJX-IUODEOHRSA-N 0 1 287.382 3.894 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CC[C@@H]3C(C)C)n[nH]2)cc1C ZINC000440738242 1123034703 /nfs/dbraw/zinc/03/47/03/1123034703.db2.gz PONVULUMVXJFDM-QGZVFWFLSA-N 0 1 297.402 3.564 20 0 CHADMN CC[C@H](F)CN1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000440781949 1123038919 /nfs/dbraw/zinc/03/89/19/1123038919.db2.gz BKPHAHJDZXNQBS-QEJZJMRPSA-N 0 1 267.413 3.913 20 0 CHADMN CSc1ccc(CN2CC(C)(C)O[C@@H]3CCC[C@H]32)cc1 ZINC000440967861 1123051012 /nfs/dbraw/zinc/05/10/12/1123051012.db2.gz UXGCIMJTBVZEFG-HZPDHXFCSA-N 0 1 291.460 3.940 20 0 CHADMN CC[C@@H](NCc1cccnc1Cl)c1ccc(OC)cc1 ZINC000105415434 1123051277 /nfs/dbraw/zinc/05/12/77/1123051277.db2.gz VIPDYUIESKRELR-OAHLLOKOSA-N 0 1 290.794 3.985 20 0 CHADMN CC(C)CCN(C(=O)c1cccc2n[nH]cc21)C1CCCC1 ZINC000520150289 1123057700 /nfs/dbraw/zinc/05/77/00/1123057700.db2.gz YZFNQPJORLEHDE-UHFFFAOYSA-N 0 1 299.418 3.994 20 0 CHADMN O=C(Nc1ccc(O)c2ccccc12)c1c(O)cccc1F ZINC000776107019 1123059559 /nfs/dbraw/zinc/05/95/59/1123059559.db2.gz FBCYLSVFZJGPOH-UHFFFAOYSA-N 0 1 297.285 3.642 20 0 CHADMN Fc1ccc(F)c(CNCCNc2ccccc2)c1Cl ZINC001200901491 1123065526 /nfs/dbraw/zinc/06/55/26/1123065526.db2.gz KFUUFDITAJACPJ-UHFFFAOYSA-N 0 1 296.748 3.820 20 0 CHADMN CO[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000441351973 1123080389 /nfs/dbraw/zinc/08/03/89/1123080389.db2.gz JWDVHWACCQKJSI-BXUZGUMPSA-N 0 1 287.325 3.705 20 0 CHADMN N=C(N)N(c1ccc(F)cc1)c1nccc2cc(F)ccc21 ZINC001167989912 1123088554 /nfs/dbraw/zinc/08/85/54/1123088554.db2.gz JEPZLHDITSWDTE-UHFFFAOYSA-N 0 1 298.296 3.545 20 0 CHADMN Cc1cc(CNCc2ccc(CC(C)C)nc2)cc(C)n1 ZINC000894966951 1123094064 /nfs/dbraw/zinc/09/40/64/1123094064.db2.gz WJHYEBMYAFGNBT-UHFFFAOYSA-N 0 1 283.419 3.582 20 0 CHADMN CCCCO[C@@H]1C[C@@H](N[C@H](COC)c2ccco2)C1(C)C ZINC000776164272 1123097361 /nfs/dbraw/zinc/09/73/61/1123097361.db2.gz YRAGPGUYNYHAMU-FVQBIDKESA-N 0 1 295.423 3.541 20 0 CHADMN CC(C)(C)CN1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC001201426831 1123099970 /nfs/dbraw/zinc/09/99/70/1123099970.db2.gz SFKZXDQWIXJOKP-INIZCTEOSA-N 0 1 289.419 3.630 20 0 CHADMN COC[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000112986237 1123100380 /nfs/dbraw/zinc/10/03/80/1123100380.db2.gz TYXLIULMCYIBDW-LLVKDONJSA-N 0 1 288.218 3.852 20 0 CHADMN CCCCC[C@H](NCc1csnn1)C(C)(C)C ZINC000776175169 1123102417 /nfs/dbraw/zinc/10/24/17/1123102417.db2.gz LROSJUMDHYZAKH-LBPRGKRZSA-N 0 1 255.431 3.623 20 0 CHADMN CC[C@@H](C)CN1CCc2cc(Br)ccc2C1 ZINC001201499041 1123111144 /nfs/dbraw/zinc/11/11/44/1123111144.db2.gz DBJSZLCIFOWUGS-LLVKDONJSA-N 0 1 282.225 3.853 20 0 CHADMN CC(C)CN1CCN(C(=O)OC(C)(C)C)C2=CCCC[C@H]21 ZINC001201482398 1123114650 /nfs/dbraw/zinc/11/46/50/1123114650.db2.gz JSPQYCZPOCVRTA-CQSZACIVSA-N 0 1 294.439 3.632 20 0 CHADMN CC(C)CN1CCO[C@](C)(c2ccc(Cl)cc2)C1 ZINC001201479007 1123114773 /nfs/dbraw/zinc/11/47/73/1123114773.db2.gz VUXJIJWHHCQDSX-HNNXBMFYSA-N 0 1 267.800 3.543 20 0 CHADMN Cc1cccc2nc(CNC(=O)C[C@H](C)CC(C)C)[nH]c21 ZINC000155162306 1129099708 /nfs/dbraw/zinc/09/97/08/1129099708.db2.gz LFDXSEPVTFIPAC-GFCCVEGCSA-N 0 1 287.407 3.560 20 0 CHADMN CCC(CC)C[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001201531360 1123122376 /nfs/dbraw/zinc/12/23/76/1123122376.db2.gz NCAGLLJIDZYZGZ-UHFFFAOYSA-N 0 1 252.789 3.529 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C[C@H]2CC[C@@H](C)C2)c1 ZINC000331238251 1123126381 /nfs/dbraw/zinc/12/63/81/1123126381.db2.gz NLRLDQXQJQMIEU-NEPJUHHUSA-N 0 1 289.375 3.750 20 0 CHADMN CCOC[C@@H](C)NCc1cc(Cl)sc1Cl ZINC000336764699 1123128509 /nfs/dbraw/zinc/12/85/09/1123128509.db2.gz QCEPGQOVDUWJII-SSDOTTSWSA-N 0 1 268.209 3.570 20 0 CHADMN Cc1nc2c(s1)[C@@H](NCc1cccnc1Cl)CCC2 ZINC001201617118 1123131664 /nfs/dbraw/zinc/13/16/64/1123131664.db2.gz DQOIYIAZJDBTRR-NSHDSACASA-N 0 1 293.823 3.667 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(C2CC2)nc1 ZINC001201712575 1123138548 /nfs/dbraw/zinc/13/85/48/1123138548.db2.gz COCUUKIQSUWXEC-UHFFFAOYSA-N 0 1 282.322 3.798 20 0 CHADMN CC[C@@H](CC(=O)NCc1nc2cccc(C)c2[nH]1)C(C)C ZINC000155266226 1129101445 /nfs/dbraw/zinc/10/14/45/1129101445.db2.gz DJLMKYKTLQTORH-ZDUSSCGKSA-N 0 1 287.407 3.560 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](c2nccn2C)C2CC2)c(C)s1 ZINC000353924296 1123141694 /nfs/dbraw/zinc/14/16/94/1123141694.db2.gz PXCIENPHTRIKLJ-XHDPSFHLSA-N 0 1 289.448 3.900 20 0 CHADMN CCCCCN1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001201737325 1123143389 /nfs/dbraw/zinc/14/33/89/1123143389.db2.gz IKBQYPWZIPVVHF-INIZCTEOSA-N 0 1 265.372 3.563 20 0 CHADMN c1nc2c([nH]1)C1(CCC1)N(Cc1ccccc1C1CC1)CC2 ZINC000895068189 1123144615 /nfs/dbraw/zinc/14/46/15/1123144615.db2.gz MQPKSMVUKOVGJG-UHFFFAOYSA-N 0 1 293.414 3.725 20 0 CHADMN Cc1ccc([C@@H]2CSCCN2Cc2cncc(C)c2)cc1 ZINC000189892524 1123145187 /nfs/dbraw/zinc/14/51/87/1123145187.db2.gz KFJJVBBGKYBDPK-SFHVURJKSA-N 0 1 298.455 3.989 20 0 CHADMN COC[C@@H](N[C@H]1CCCc2occc21)c1ccccc1 ZINC000189997579 1123145827 /nfs/dbraw/zinc/14/58/27/1123145827.db2.gz DOPIFSYMEIDHDW-JKSUJKDBSA-N 0 1 271.360 3.634 20 0 CHADMN CCCCCCN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001201756243 1123145939 /nfs/dbraw/zinc/14/59/39/1123145939.db2.gz GMUUNXJHWPWRAT-GFCCVEGCSA-N 0 1 275.318 3.923 20 0 CHADMN CCc1ccccc1CNc1cnccc1-n1cc(C)cn1 ZINC001201803443 1123150226 /nfs/dbraw/zinc/15/02/26/1123150226.db2.gz SLJMGSBQKUNRIS-UHFFFAOYSA-N 0 1 292.386 3.750 20 0 CHADMN c1ccc(CC2(NCc3nc4ccccc4o3)CC2)cc1 ZINC000639061468 1123150963 /nfs/dbraw/zinc/15/09/63/1123150963.db2.gz YKTFRMGPMVMGCV-UHFFFAOYSA-N 0 1 278.355 3.693 20 0 CHADMN CCCc1cccc(CNc2cc(OC)ccn2)c1 ZINC001201813308 1123151356 /nfs/dbraw/zinc/15/13/56/1123151356.db2.gz FOWGHKVCTISGFV-UHFFFAOYSA-N 0 1 256.349 3.655 20 0 CHADMN CCO[C@H]1C[C@H]1NC(c1ccccc1)c1ccccc1 ZINC000579433477 1123153861 /nfs/dbraw/zinc/15/38/61/1123153861.db2.gz AVNVRACHUVSWCP-SJORKVTESA-N 0 1 267.372 3.543 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])o2)cc1 ZINC000563720393 1123153885 /nfs/dbraw/zinc/15/38/85/1123153885.db2.gz BXRZTLQOYUYGIL-HNNXBMFYSA-N 0 1 285.343 3.623 20 0 CHADMN COc1ccc2nc(N)n(-c3csc4ccccc43)c2c1 ZINC001201844642 1123155020 /nfs/dbraw/zinc/15/50/20/1123155020.db2.gz FMUMUGCPNPRSRD-UHFFFAOYSA-N 0 1 295.367 3.831 20 0 CHADMN Fc1ncccc1CNCc1cc2ccccc2s1 ZINC000793282982 1123158699 /nfs/dbraw/zinc/15/86/99/1123158699.db2.gz DCTVZXBRESJXSW-UHFFFAOYSA-N 0 1 272.348 3.725 20 0 CHADMN CC(C)(C)Oc1ccc([C@@H]2CCN(Cc3ncc[nH]3)C2)cc1 ZINC001203980268 1123163899 /nfs/dbraw/zinc/16/38/99/1123163899.db2.gz OCTLLCJDFNVBIW-OAHLLOKOSA-N 0 1 299.418 3.577 20 0 CHADMN CC(C)c1nnc(CN[C@@H]2C[C@H](C)CC[C@H]2C(C)C)o1 ZINC000181449543 1123165312 /nfs/dbraw/zinc/16/53/12/1123165312.db2.gz JLCLQEKGMYLJCV-HZSPNIEDSA-N 0 1 279.428 3.743 20 0 CHADMN CCN(C(=O)C[N@@H+](C)[C@H]1CCC[C@H](C)C1)c1ccccc1 ZINC000520528348 1123168398 /nfs/dbraw/zinc/16/83/98/1123168398.db2.gz CNNKJKTWZLKROX-RDJZCZTQSA-N 0 1 288.435 3.550 20 0 CHADMN CCc1ccc(CC)c(NC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001126510922 1123169247 /nfs/dbraw/zinc/16/92/47/1123169247.db2.gz XLSIRDLXFIAGML-QGZVFWFLSA-N 0 1 288.435 3.623 20 0 CHADMN CCc1ccc(CC)c(NC(=O)[C@H]2CCCN2C(C)C)c1 ZINC001126510922 1123169248 /nfs/dbraw/zinc/16/92/48/1123169248.db2.gz XLSIRDLXFIAGML-QGZVFWFLSA-N 0 1 288.435 3.623 20 0 CHADMN CCn1cc(CN[C@H]2C[C@@H](C)Sc3sccc32)cn1 ZINC000353946926 1123170251 /nfs/dbraw/zinc/17/02/51/1123170251.db2.gz JXAOMWQQCIRHMY-MFKMUULPSA-N 0 1 293.461 3.680 20 0 CHADMN Cc1cnc(C[N@@H+](Cc2cccc(C)c2)CC(C)C)o1 ZINC000441548590 1123170660 /nfs/dbraw/zinc/17/06/60/1123170660.db2.gz UAJZEWPUERYANQ-UHFFFAOYSA-N 0 1 272.392 3.950 20 0 CHADMN Cc1cnc(CN(Cc2cccc(C)c2)CC(C)C)o1 ZINC000441548590 1123170663 /nfs/dbraw/zinc/17/06/63/1123170663.db2.gz UAJZEWPUERYANQ-UHFFFAOYSA-N 0 1 272.392 3.950 20 0 CHADMN C[C@@H]1SCC[C@H]1Nc1ccnc2cc(F)ccc21 ZINC000645401766 1123176866 /nfs/dbraw/zinc/17/68/66/1123176866.db2.gz KXBPFDIVXCEFIV-JOYOIKCWSA-N 0 1 262.353 3.680 20 0 CHADMN Cc1n[nH]c(CN2CC3(CC=CC3)[C@H]2c2ccccc2)c1C ZINC000895084617 1123178048 /nfs/dbraw/zinc/17/80/48/1123178048.db2.gz QQKQKJBWFPRDQI-GOSISDBHSA-N 0 1 293.414 3.920 20 0 CHADMN Cc1[nH]nc(CN2CC3(CC=CC3)[C@H]2c2ccccc2)c1C ZINC000895084617 1123178051 /nfs/dbraw/zinc/17/80/51/1123178051.db2.gz QQKQKJBWFPRDQI-GOSISDBHSA-N 0 1 293.414 3.920 20 0 CHADMN CCCCC[C@@H](C)NC(=O)CN(C)[C@@H](C)c1ccccc1 ZINC000061801580 1123186112 /nfs/dbraw/zinc/18/61/12/1123186112.db2.gz FWTKUZWMFMJALC-CVEARBPZSA-N 0 1 290.451 3.764 20 0 CHADMN Cc1nn(C)cc1CN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000148873684 1123192494 /nfs/dbraw/zinc/19/24/94/1123192494.db2.gz CHHSSIRGLFFYDY-JTQLQIEISA-N 0 1 297.324 3.598 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1cnc(Cl)c(F)c1 ZINC000846840933 1123196203 /nfs/dbraw/zinc/19/62/03/1123196203.db2.gz KBPXDBJCGOOYFG-GXSJLCMTSA-N 0 1 256.752 3.637 20 0 CHADMN CC(C)Oc1ccc(CNc2ccc3nc[nH]c3c2)cc1 ZINC001202349666 1123197167 /nfs/dbraw/zinc/19/71/67/1123197167.db2.gz DSMOIBIZZKAPPP-UHFFFAOYSA-N 0 1 281.359 3.962 20 0 CHADMN Fc1ccccc1[C@H]1CCCN1CCC(F)(F)F ZINC001202348597 1123197289 /nfs/dbraw/zinc/19/72/89/1123197289.db2.gz PSZRFLVGUDFBEN-GFCCVEGCSA-N 0 1 261.262 3.915 20 0 CHADMN C[C@H]1OCC[C@]1(C)NCc1csc(Cl)c1Cl ZINC000336780578 1123197469 /nfs/dbraw/zinc/19/74/69/1123197469.db2.gz RRVIDDFNPHGCRY-HQJQHLMTSA-N 0 1 280.220 3.712 20 0 CHADMN c1nc2ccc(-c3ccccc3OC[C@@H]3CCOC3)cc2[nH]1 ZINC000665141618 1123197761 /nfs/dbraw/zinc/19/77/61/1123197761.db2.gz ABLLUKDBBIQEMG-CYBMUJFWSA-N 0 1 294.354 3.645 20 0 CHADMN FC(F)(F)CCCN1CCSc2ccccc2C1 ZINC001202443762 1123209147 /nfs/dbraw/zinc/20/91/47/1123209147.db2.gz WIVFYTCXDXAUCC-UHFFFAOYSA-N 0 1 275.339 3.937 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN1CCCCC1 ZINC000338911316 1123213517 /nfs/dbraw/zinc/21/35/17/1123213517.db2.gz JNJNRVIKJHIBPE-UHFFFAOYSA-N 0 1 262.378 3.697 20 0 CHADMN c1cc(CNCc2nccc3ccccc32)cs1 ZINC000067450914 1123216817 /nfs/dbraw/zinc/21/68/17/1123216817.db2.gz MJZNKTVLEBMSAW-UHFFFAOYSA-N 0 1 254.358 3.586 20 0 CHADMN Fc1ccc(CNCc2nccc3ccccc32)cc1F ZINC000067451016 1123216902 /nfs/dbraw/zinc/21/69/02/1123216902.db2.gz BHDAWCUVFFOOOY-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN COc1ccc(-c2ccc(F)c(CN(C)C)c2)c(OC)c1 ZINC000665199403 1123227561 /nfs/dbraw/zinc/22/75/61/1123227561.db2.gz GXEIMPRMSRVMJI-UHFFFAOYSA-N 0 1 289.350 3.572 20 0 CHADMN CC(C)OCCN1CC=C(c2ccccc2Cl)CC1 ZINC000509467775 1123232726 /nfs/dbraw/zinc/23/27/26/1123232726.db2.gz XYJBIZWHXXZQOX-UHFFFAOYSA-N 0 1 279.811 3.854 20 0 CHADMN Cc1nc(CN2[C@H](C)CCC[C@H]2C)nc2ccccc12 ZINC000108864437 1123233236 /nfs/dbraw/zinc/23/32/36/1123233236.db2.gz KHMXNQLMJSFGGZ-CHWSQXEVSA-N 0 1 269.392 3.701 20 0 CHADMN C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc3c(n2)CCC3)C1 ZINC000334548132 1123251291 /nfs/dbraw/zinc/25/12/91/1123251291.db2.gz ODGOFBXTDGWLJN-IFXJQAMLSA-N 0 1 293.414 3.548 20 0 CHADMN COCc1csc(CNCc2cc(C)cc(Cl)n2)c1 ZINC000850284417 1123251474 /nfs/dbraw/zinc/25/14/74/1123251474.db2.gz FIWWYECGPPMGJC-UHFFFAOYSA-N 0 1 296.823 3.541 20 0 CHADMN COCc1csc(CN[C@H](C)c2ccnc(Cl)c2)c1 ZINC000850282957 1123251525 /nfs/dbraw/zinc/25/15/25/1123251525.db2.gz PVOCNUFAJYNGMU-SNVBAGLBSA-N 0 1 296.823 3.794 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2cnc(C)cn2)cc1 ZINC000427849863 1123255272 /nfs/dbraw/zinc/25/52/72/1123255272.db2.gz GWJJAYIZBPEXSJ-KGLIPLIRSA-N 0 1 255.365 3.505 20 0 CHADMN CC[C@H](CC1CCCC1)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000508015029 1123256305 /nfs/dbraw/zinc/25/63/05/1123256305.db2.gz IPFCVXNBDSHFRL-GFCCVEGCSA-N 0 1 286.379 3.503 20 0 CHADMN Cc1cnc([C@@H](C)N[C@@H](C)c2c(C)cccc2C)cn1 ZINC000427858944 1123257276 /nfs/dbraw/zinc/25/72/76/1123257276.db2.gz UYVCJUYZFSVGGF-CABCVRRESA-N 0 1 269.392 3.814 20 0 CHADMN O[C@@H]1C[C@@H](NCc2cccc(Cl)c2)c2ccccc21 ZINC000850369433 1123258284 /nfs/dbraw/zinc/25/82/84/1123258284.db2.gz JWVXRXOXRBMIIZ-HZPDHXFCSA-N 0 1 273.763 3.608 20 0 CHADMN Oc1ccc2c(c1)[C@H](NCc1cc(Cl)cs1)CC2 ZINC000850387569 1123261221 /nfs/dbraw/zinc/26/12/21/1123261221.db2.gz UVPFSDKBGWUAJH-CQSZACIVSA-N 0 1 279.792 3.884 20 0 CHADMN C[C@@H](N[C@H](C)c1ccncc1)c1cc2cnccc2o1 ZINC000850419930 1123264110 /nfs/dbraw/zinc/26/41/10/1123264110.db2.gz GPZLZIPXHGUKGN-VXGBXAGGSA-N 0 1 267.332 3.635 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H]2COC3(CCC3)C2)cs1 ZINC000850444624 1123267610 /nfs/dbraw/zinc/26/76/10/1123267610.db2.gz VBBSZUPVPAIVKU-RYUDHWBXSA-N 0 1 280.437 3.629 20 0 CHADMN C[C@H](NCc1c(F)cc(F)cc1F)C(C)(C)C(F)F ZINC000850471037 1123271708 /nfs/dbraw/zinc/27/17/08/1123271708.db2.gz LQJVEHJBYWQZKM-ZETCQYMHSA-N 0 1 281.268 3.873 20 0 CHADMN Brc1csc([C@@H](N[C@H]2C=CCC2)C2CC2)n1 ZINC000850511054 1123278179 /nfs/dbraw/zinc/27/81/79/1123278179.db2.gz ZTVAUBCQGTXXMR-ONGXEEELSA-N 0 1 299.237 3.665 20 0 CHADMN CC(C)[C@@H](N[C@H]1CCCc2n[nH]cc21)c1ccccc1F ZINC000850517186 1123278731 /nfs/dbraw/zinc/27/87/31/1123278731.db2.gz TVCFLMZNWIXKDK-DOTOQJQBSA-N 0 1 287.382 3.913 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](c2ccccc2F)C(C)C)n(C)n1 ZINC000850516328 1123279133 /nfs/dbraw/zinc/27/91/33/1123279133.db2.gz AOTIMPNWTLGKQB-SUMWQHHRSA-N 0 1 289.398 3.916 20 0 CHADMN CC(C)c1nc(CN2CCCC3(C2)CCCCCC3)n[nH]1 ZINC000428206248 1123280517 /nfs/dbraw/zinc/28/05/17/1123280517.db2.gz MUEHUIKTRULVRV-UHFFFAOYSA-N 0 1 290.455 3.865 20 0 CHADMN CCC[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1cccnc1 ZINC000850526424 1123281818 /nfs/dbraw/zinc/28/18/18/1123281818.db2.gz BZVUZWRYHCEBOZ-RCCFBDPRSA-N 0 1 282.387 3.691 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H]1C[C@H](O)c2ccccc21 ZINC000850528475 1123282979 /nfs/dbraw/zinc/28/29/79/1123282979.db2.gz IAPMWYIYVKCMBY-VUCTXSBTSA-N 0 1 283.371 3.524 20 0 CHADMN C[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1cc(F)cc(F)c1 ZINC000850529187 1123283894 /nfs/dbraw/zinc/28/38/94/1123283894.db2.gz OBZGJBNPYYOHPS-POJUEXTFSA-N 0 1 289.325 3.794 20 0 CHADMN O[C@@H]1C[C@H](N[C@H]2CCc3c2cccc3F)c2ccccc21 ZINC000850529793 1123284194 /nfs/dbraw/zinc/28/41/94/1123284194.db2.gz TXYNNMWXGFIXMP-OKZBNKHCSA-N 0 1 283.346 3.581 20 0 CHADMN CC(C)Cc1ccc([C@@H](C)[C@H](C)NCc2ncccn2)cc1 ZINC000850550596 1123289213 /nfs/dbraw/zinc/28/92/13/1123289213.db2.gz AEIVPTFXORUECM-HOTGVXAUSA-N 0 1 297.446 3.957 20 0 CHADMN C[C@H](N[C@]1(C)CC1(C)C)c1nc(Br)cs1 ZINC000850556509 1123290874 /nfs/dbraw/zinc/29/08/74/1123290874.db2.gz QZSFITBXOQUSLW-WRWORJQWSA-N 0 1 289.242 3.745 20 0 CHADMN Cc1nc([C@@H](C)N[C@H]2CCc3cc(N)ccc32)c(C)s1 ZINC000665270252 1123294869 /nfs/dbraw/zinc/29/48/69/1123294869.db2.gz UVWRZZAZJZWMGN-PSLIRLAXSA-N 0 1 287.432 3.680 20 0 CHADMN CC(C)(C)C(F)(F)CN[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000850572685 1123295275 /nfs/dbraw/zinc/29/52/75/1123295275.db2.gz NTGLJWQEMITUNP-GMTAPVOTSA-N 0 1 295.464 3.637 20 0 CHADMN CC(C)[C@@H]1N(Cc2ccncc2Cl)CC1(C)C ZINC000529592373 1123335356 /nfs/dbraw/zinc/33/53/56/1123335356.db2.gz VLLWQLGVJPZWTC-ZDUSSCGKSA-N 0 1 252.789 3.601 20 0 CHADMN C[C@@H](O)[C@@H](N[C@@H](C)c1ccc(Cl)nc1)c1ccccc1 ZINC000850585510 1123296476 /nfs/dbraw/zinc/29/64/76/1123296476.db2.gz YVAZWWSXHCJMKR-HWWQOWPSSA-N 0 1 290.794 3.508 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1cccc(F)c1F ZINC000107712250 1123298846 /nfs/dbraw/zinc/29/88/46/1123298846.db2.gz BMHLRTQXOWQJJJ-OAHLLOKOSA-N 0 1 277.289 3.881 20 0 CHADMN CCc1[nH]ncc1CN(C)Cc1ccc(Cl)cc1Cl ZINC001237651345 1129112280 /nfs/dbraw/zinc/11/22/80/1129112280.db2.gz KDQIDYDLECKTSR-UHFFFAOYSA-N 0 1 298.217 3.911 20 0 CHADMN Clc1ncc(CNCc2cccc3c2CCC3)s1 ZINC000895151174 1123299756 /nfs/dbraw/zinc/29/97/56/1123299756.db2.gz JELIYDBSUZSVOW-UHFFFAOYSA-N 0 1 278.808 3.575 20 0 CHADMN C[C@@H](NCc1ccncc1OCC(F)F)c1ccccc1 ZINC000442108038 1123302312 /nfs/dbraw/zinc/30/23/12/1123302312.db2.gz ACOZDUSMPCWMFI-GFCCVEGCSA-N 0 1 292.329 3.576 20 0 CHADMN C[C@@H](CC(F)(F)F)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000457730090 1123307303 /nfs/dbraw/zinc/30/73/03/1123307303.db2.gz HWHUMZUZRMDAME-YFKPBYRVSA-N 0 1 299.651 3.712 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@]3(CC=CCC3)C2)s1 ZINC000335143878 1123310013 /nfs/dbraw/zinc/31/00/13/1123310013.db2.gz LCQQKLCLRCPZOX-IUODEOHRSA-N 0 1 277.437 3.730 20 0 CHADMN CCc1nc(C)c(CN2CCc3ccccc3[C@@H]2C)o1 ZINC000428247830 1123311530 /nfs/dbraw/zinc/31/15/30/1123311530.db2.gz OKRVXHPZZKNHHZ-ZDUSSCGKSA-N 0 1 270.376 3.665 20 0 CHADMN CCn1ccnc1CN1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000366947835 1123319007 /nfs/dbraw/zinc/31/90/07/1123319007.db2.gz YXWRCKQXEKFPEI-DOTOQJQBSA-N 0 1 283.419 3.671 20 0 CHADMN Cc1csc([C@@H](C)NC[C@H]2CCC3(CCCCC3)O2)n1 ZINC000191020504 1123320172 /nfs/dbraw/zinc/32/01/72/1123320172.db2.gz JDYSKXMGXSUESZ-ZIAGYGMSSA-N 0 1 294.464 3.984 20 0 CHADMN Cc1cnc([C@@H](C)NC[C@H]2CCC3(CCCCC3)O2)s1 ZINC000191021421 1123321365 /nfs/dbraw/zinc/32/13/65/1123321365.db2.gz ONTQZEJBCZRXPN-ZIAGYGMSSA-N 0 1 294.464 3.984 20 0 CHADMN C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1cccc(F)c1N ZINC000639229274 1123328611 /nfs/dbraw/zinc/32/86/11/1123328611.db2.gz UKJSEVAQZFGTAS-MWLCHTKSSA-N 0 1 290.304 3.571 20 0 CHADMN c1cn(C2CCCC2)nc1CN1CC[C@@H](C2CCC2)C1 ZINC000665288426 1123330944 /nfs/dbraw/zinc/33/09/44/1123330944.db2.gz NAGWZLLKTMHTIS-OAHLLOKOSA-N 0 1 273.424 3.620 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cncc(C)c1 ZINC000442693780 1123334637 /nfs/dbraw/zinc/33/46/37/1123334637.db2.gz PXSGNLPCUGRQRF-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN CCc1ccccc1CC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000442864326 1123344093 /nfs/dbraw/zinc/34/40/93/1123344093.db2.gz GEOVFEDVTOIBBW-UHFFFAOYSA-N 0 1 293.370 3.615 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2cnc(C)nc2)cc1 ZINC000338935295 1123347685 /nfs/dbraw/zinc/34/76/85/1123347685.db2.gz XKLXEHMSASNQBG-GOSISDBHSA-N 0 1 297.402 3.521 20 0 CHADMN CCc1n[nH]cc1CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001237652990 1129115804 /nfs/dbraw/zinc/11/58/04/1129115804.db2.gz APLYDJCIZOIDEX-NSHDSACASA-N 0 1 277.799 3.819 20 0 CHADMN FC(F)c1ccc(CN2CC(Cc3ccccc3)C2)cn1 ZINC000639249642 1123352666 /nfs/dbraw/zinc/35/26/66/1123352666.db2.gz KIXXJFGCYYMZOY-UHFFFAOYSA-N 0 1 288.341 3.694 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC000335322735 1123358440 /nfs/dbraw/zinc/35/84/40/1123358440.db2.gz GXRQUNGHJQRMOL-MRXNPFEDSA-N 0 1 295.386 3.573 20 0 CHADMN Cc1cc(C)cc(-c2noc(CN3[C@H](C)CC[C@@H]3C)n2)c1 ZINC000443208915 1123364211 /nfs/dbraw/zinc/36/42/11/1123364211.db2.gz CYEQCTUXFMZICN-OKILXGFUSA-N 0 1 285.391 3.726 20 0 CHADMN Cc1cc2ccccc2nc1N1N=C2CCCCC[C@H]2C1=O ZINC000634615682 1129121810 /nfs/dbraw/zinc/12/18/10/1129121810.db2.gz OFTYMQACSKNJOE-CQSZACIVSA-N 0 1 293.370 3.826 20 0 CHADMN FC(F)OCCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000851717863 1123374005 /nfs/dbraw/zinc/37/40/05/1123374005.db2.gz ZQELEHITIWPTQF-LBPRGKRZSA-N 0 1 275.726 3.716 20 0 CHADMN Cc1nc([C@H](C)N[C@H]2CCCc3cc(N)ccc32)cs1 ZINC000335480948 1123377422 /nfs/dbraw/zinc/37/74/22/1123377422.db2.gz OIHMTAMZHULLIE-BONVTDFDSA-N 0 1 287.432 3.762 20 0 CHADMN Fc1cccc(CN2CCC(C3CCCC3)CC2)n1 ZINC000851787246 1123380357 /nfs/dbraw/zinc/38/03/57/1123380357.db2.gz RREXFCMSPCCSBH-UHFFFAOYSA-N 0 1 262.372 3.623 20 0 CHADMN Fc1ccc(C2CCN(Cc3cccc(F)n3)CC2)cc1 ZINC000851804864 1123382497 /nfs/dbraw/zinc/38/24/97/1123382497.db2.gz IBHMUJQKKFEOSS-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN CCCCC[C@H]1CCC[N@H+]1Cc1cccc(F)n1 ZINC000851818870 1123383543 /nfs/dbraw/zinc/38/35/43/1123383543.db2.gz ZDJNEUFNZZAHHI-AWEZNQCLSA-N 0 1 250.361 3.765 20 0 CHADMN Fc1cccc(CN[C@H](c2ccccc2)C2CCC2)n1 ZINC000851839051 1123384153 /nfs/dbraw/zinc/38/41/53/1123384153.db2.gz CHSPNUVIBFIKNM-QGZVFWFLSA-N 0 1 270.351 3.852 20 0 CHADMN C[C@H](N[C@@H]1COCc2ccccc21)c1cc(F)cc(F)c1 ZINC000335633053 1123385615 /nfs/dbraw/zinc/38/56/15/1123385615.db2.gz WHFMNFFAKPQJAX-APPDUMDISA-N 0 1 289.325 3.887 20 0 CHADMN Clc1csc(CN2CCC(c3ccncn3)CC2)c1 ZINC000335629181 1123385955 /nfs/dbraw/zinc/38/59/55/1123385955.db2.gz UAGVZZYJKIOHAS-UHFFFAOYSA-N 0 1 293.823 3.571 20 0 CHADMN FC1(F)C[C@H]1OCC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000851937791 1123389909 /nfs/dbraw/zinc/38/99/09/1123389909.db2.gz CGBVVCDOIXGTPN-HUUCEWRRSA-N 0 1 281.346 3.638 20 0 CHADMN FC1(F)C[C@@H]1OCC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000851937787 1123390171 /nfs/dbraw/zinc/39/01/71/1123390171.db2.gz CGBVVCDOIXGTPN-CABCVRRESA-N 0 1 281.346 3.638 20 0 CHADMN Cc1cc(CN(Cc2cccc(C)c2)CC(C)C)nn1C ZINC000487428721 1123398997 /nfs/dbraw/zinc/39/89/97/1123398997.db2.gz LJIDLZLXCKNNCR-UHFFFAOYSA-N 0 1 285.435 3.695 20 0 CHADMN CCC[N@@H+](CCc1cccc(F)c1)Cc1cc(C)on1 ZINC000113266478 1123399275 /nfs/dbraw/zinc/39/92/75/1123399275.db2.gz GLTVBXKBTLJVEF-UHFFFAOYSA-N 0 1 276.355 3.577 20 0 CHADMN CCCN(CCc1cccc(F)c1)Cc1cc(C)on1 ZINC000113266478 1123399278 /nfs/dbraw/zinc/39/92/78/1123399278.db2.gz GLTVBXKBTLJVEF-UHFFFAOYSA-N 0 1 276.355 3.577 20 0 CHADMN CCCCc1[nH]n(-c2ccnc(C(F)(F)F)c2)c(=O)c1C ZINC000634618063 1129121939 /nfs/dbraw/zinc/12/19/39/1129121939.db2.gz FQDMIFCLLNIRBA-VIFPVBQESA-N 0 1 299.296 3.629 20 0 CHADMN CC(C)C(=O)CCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000852426690 1123405735 /nfs/dbraw/zinc/40/57/35/1123405735.db2.gz OGIXDHTUZLDZJY-INIZCTEOSA-N 0 1 275.392 3.812 20 0 CHADMN C[C@@H](N[C@@H](C)CC(C)(C)c1ccccc1)c1csnn1 ZINC000398432752 1123405721 /nfs/dbraw/zinc/40/57/21/1123405721.db2.gz ULWUUUFQMKEQIA-QWHCGFSZSA-N 0 1 289.448 3.945 20 0 CHADMN Cc1ccc(-n2[nH]c(C3CCC3)cc2=O)c(Cl)c1 ZINC000634594283 1129119774 /nfs/dbraw/zinc/11/97/74/1129119774.db2.gz QGHLZSRKZURKFD-UHFFFAOYSA-N 0 1 262.740 3.541 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)o1 ZINC000852596554 1123409660 /nfs/dbraw/zinc/40/96/60/1123409660.db2.gz MKNPARFTJFMTMT-GJZGRUSLSA-N 0 1 292.423 3.579 20 0 CHADMN Cl/C=C\CN1CCC2(CCc3ccccc3O2)CC1 ZINC000852675351 1123411747 /nfs/dbraw/zinc/41/17/47/1123411747.db2.gz VMIYGIPAWJLDJS-KMKOMSMNSA-N 0 1 277.795 3.599 20 0 CHADMN Cl/C=C/CN1CCC2(CCc3ccccc3O2)CC1 ZINC000852675352 1123411805 /nfs/dbraw/zinc/41/18/05/1123411805.db2.gz VMIYGIPAWJLDJS-XCVCLJGOSA-N 0 1 277.795 3.599 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc3c(c2)CCCO3)nc1 ZINC000852781836 1123414602 /nfs/dbraw/zinc/41/46/02/1123414602.db2.gz RNGYQRGVHNSRIK-AWEZNQCLSA-N 0 1 282.387 3.566 20 0 CHADMN Cc1ccc(N2CCN([C@H](C)c3cccnc3)CC2)c(C)c1 ZINC000852743013 1123415297 /nfs/dbraw/zinc/41/52/97/1123415297.db2.gz QLVGIJOWHVMDIW-QGZVFWFLSA-N 0 1 295.430 3.582 20 0 CHADMN Cc1cccc(-c2nnc([C@@H](C)N3CC4CC3(C)C4)o2)c1 ZINC000852785148 1123415672 /nfs/dbraw/zinc/41/56/72/1123415672.db2.gz AFOGMHAYDPENMR-SFYCDEOASA-N 0 1 283.375 3.590 20 0 CHADMN Cc1cccc(-c2nnc([C@H](C)N3CC4CC3(C)C4)o2)c1 ZINC000852785147 1123415830 /nfs/dbraw/zinc/41/58/30/1123415830.db2.gz AFOGMHAYDPENMR-POZPTJLLSA-N 0 1 283.375 3.590 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cccc(Cl)c1C ZINC000335741585 1123421263 /nfs/dbraw/zinc/42/12/63/1123421263.db2.gz VVDGKAUOSKCIIY-UHFFFAOYSA-N 0 1 299.708 3.870 20 0 CHADMN Cc1cc(C(=O)Nc2cc(Cl)c(O)cc2F)oc1C ZINC000335762229 1123425784 /nfs/dbraw/zinc/42/57/84/1123425784.db2.gz JSYYWUUHMOVSPD-UHFFFAOYSA-N 0 1 283.686 3.647 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000665350179 1123430227 /nfs/dbraw/zinc/43/02/27/1123430227.db2.gz FPAXJLXCCIQEQZ-UHFFFAOYSA-N 0 1 297.826 3.890 20 0 CHADMN CC(C)C1CCC(C[N@@H+](CC(=O)[O-])CC(C)(C)C)CC1 ZINC000665350833 1123433791 /nfs/dbraw/zinc/43/37/91/1123433791.db2.gz FPUWGVLZTWGARW-UHFFFAOYSA-N 0 1 283.456 3.882 20 0 CHADMN CCCc1[nH]n(-c2ccnc(C(F)(F)F)c2)c(=O)c1CC ZINC000634618292 1129121450 /nfs/dbraw/zinc/12/14/50/1129121450.db2.gz MESZDQCYLXFRRF-JTQLQIEISA-N 0 1 299.296 3.629 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442882130 1123441589 /nfs/dbraw/zinc/44/15/89/1123441589.db2.gz CIZZSWRYEALBCF-CKYFFXLPSA-N 0 1 287.329 3.582 20 0 CHADMN Cc1cccc2nc(CN(C)[C@@H](C)c3ccccc3)cn21 ZINC000051428234 1123456083 /nfs/dbraw/zinc/45/60/83/1123456083.db2.gz HPASTSPEPMTVRL-HNNXBMFYSA-N 0 1 279.387 3.836 20 0 CHADMN Cn1ccnc1[C@@H]1N(C[C@@H]2CCc3ccccc32)CC1(C)C ZINC000854026373 1123465949 /nfs/dbraw/zinc/46/59/49/1123465949.db2.gz AJVXSUWEAGOHEM-RDJZCZTQSA-N 0 1 295.430 3.533 20 0 CHADMN CC1(C(=O)Nc2cccc(-c3cn[nH]n3)c2)CCCCCC1 ZINC000443670436 1123468731 /nfs/dbraw/zinc/46/87/31/1123468731.db2.gz UPAXBEDSMIMEJO-UHFFFAOYSA-N 0 1 298.390 3.771 20 0 CHADMN CC[C@@H](NC)c1nc(-c2ccc(SC)cc2Cl)no1 ZINC000854142342 1123471314 /nfs/dbraw/zinc/47/13/14/1123471314.db2.gz KEGRFBMYYVZOPX-LLVKDONJSA-N 0 1 297.811 3.782 20 0 CHADMN Cc1cc(CN(C)C[C@@H](c2ccccc2)C(C)C)no1 ZINC000474151342 1123471375 /nfs/dbraw/zinc/47/13/75/1123471375.db2.gz FNRNTYXIZVLPEZ-QGZVFWFLSA-N 0 1 272.392 3.855 20 0 CHADMN CC[C@@H](NC)c1nc(-c2ccc(C(C)(F)F)cc2)no1 ZINC000854158568 1123471643 /nfs/dbraw/zinc/47/16/43/1123471643.db2.gz ZYHZNDUDSDOQJC-LLVKDONJSA-N 0 1 281.306 3.519 20 0 CHADMN CCSc1cccc(-c2noc([C@@H](CC)NC)n2)c1 ZINC000854157978 1123471702 /nfs/dbraw/zinc/47/17/02/1123471702.db2.gz KXLBOPPUQXXSMO-GFCCVEGCSA-N 0 1 277.393 3.519 20 0 CHADMN CSc1ccc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)o1 ZINC000895389678 1123473789 /nfs/dbraw/zinc/47/37/89/1123473789.db2.gz PELATGSKKPBRRX-AOOOYVTPSA-N 0 1 275.364 3.725 20 0 CHADMN CC[C@H](NCc1ocnc1C)c1cc(C)ccc1C ZINC000895404340 1123478103 /nfs/dbraw/zinc/47/81/03/1123478103.db2.gz FBHOLRJYDSIWOD-HNNXBMFYSA-N 0 1 258.365 3.841 20 0 CHADMN CSc1ccc(CN2CCC(CCF)CC2)o1 ZINC000895439387 1123479839 /nfs/dbraw/zinc/47/98/39/1123479839.db2.gz DYPDGZCKTQGDJD-UHFFFAOYSA-N 0 1 257.374 3.573 20 0 CHADMN COc1ccc(CN[C@@H]2CCCc3c(C)cccc32)nc1 ZINC000895462803 1123483494 /nfs/dbraw/zinc/48/34/94/1123483494.db2.gz AGPHINWZJNJTAY-GOSISDBHSA-N 0 1 282.387 3.566 20 0 CHADMN Cc1ccc([C@@H]2C[C@H]2C(=O)NOc2ccccc2)cc1C ZINC000854536606 1123488956 /nfs/dbraw/zinc/48/89/56/1123488956.db2.gz RRDLMLANCFFYLI-DLBZAZTESA-N 0 1 281.355 3.517 20 0 CHADMN CCCC[C@@](C)(F)C(=O)Nc1cc(C(=O)CC)ccc1O ZINC000854575035 1123490052 /nfs/dbraw/zinc/49/00/52/1123490052.db2.gz CQSHFTFEVQVDPN-MRXNPFEDSA-N 0 1 295.354 3.842 20 0 CHADMN CC1(C)CCC[C@@H]1CCNCc1nnc(C2CC2)s1 ZINC000895544840 1123490031 /nfs/dbraw/zinc/49/00/31/1123490031.db2.gz FXNUBHZTWKWJAS-GFCCVEGCSA-N 0 1 279.453 3.722 20 0 CHADMN CCCCCC[C@@H](C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000854809760 1123494729 /nfs/dbraw/zinc/49/47/29/1123494729.db2.gz HFHCIACQFSQVSB-CYBMUJFWSA-N 0 1 287.407 3.786 20 0 CHADMN CCCCC[C@@H](C)CC(=O)NCc1ccc2nc[nH]c2c1 ZINC000854810172 1123494940 /nfs/dbraw/zinc/49/49/40/1123494940.db2.gz NXEOAFUOOFJIMF-CYBMUJFWSA-N 0 1 287.407 3.786 20 0 CHADMN O=C(/C=C\C1CCCCCC1)NCc1ccc2nc[nH]c2c1 ZINC000854810164 1123494951 /nfs/dbraw/zinc/49/49/51/1123494951.db2.gz NOUCKDHKVPCADR-NTMALXAHSA-N 0 1 297.402 3.706 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(-c2ccco2)on1 ZINC000052858112 1123505443 /nfs/dbraw/zinc/50/54/43/1123505443.db2.gz YYUVNAKIQVKMSA-CYBMUJFWSA-N 0 1 260.337 3.699 20 0 CHADMN CC[C@H](C)N(C)Cc1csc(-c2ccco2)n1 ZINC000114718246 1123507453 /nfs/dbraw/zinc/50/74/53/1123507453.db2.gz IHNJFVKXIOBVHT-JTQLQIEISA-N 0 1 250.367 3.633 20 0 CHADMN C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@@H](C)c1ncco1 ZINC000895766359 1123510762 /nfs/dbraw/zinc/51/07/62/1123510762.db2.gz SEHABBHKMYQOQL-MNOVXSKESA-N 0 1 298.308 3.975 20 0 CHADMN C[C@@H](N[C@@H](C)Cc1ccc(C(F)(F)F)cc1)c1ncco1 ZINC000895766363 1123510957 /nfs/dbraw/zinc/51/09/57/1123510957.db2.gz SEHABBHKMYQOQL-WDEREUQCSA-N 0 1 298.308 3.975 20 0 CHADMN CCC[C@@H](Cc1ccccc1)N[C@@H](C)c1ncco1 ZINC000895764042 1123512255 /nfs/dbraw/zinc/51/22/55/1123512255.db2.gz DVSDLIAQYFRPLW-ZFWWWQNUSA-N 0 1 258.365 3.737 20 0 CHADMN CC1(F)CCN(Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000895778469 1123513414 /nfs/dbraw/zinc/51/34/14/1123513414.db2.gz ZFMCVBDDNCRDOJ-UHFFFAOYSA-N 0 1 296.333 3.572 20 0 CHADMN C[C@H](NCc1ccoc1)c1ccc2ncsc2c1 ZINC000776807334 1123514277 /nfs/dbraw/zinc/51/42/77/1123514277.db2.gz GRJLBCFUAFZZRO-JTQLQIEISA-N 0 1 258.346 3.740 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N1CCO[C@H](C(F)F)CC1)CCC2 ZINC000634757417 1129127114 /nfs/dbraw/zinc/12/71/14/1129127114.db2.gz RHWKLRJTUSHVGJ-GJZGRUSLSA-N 0 1 299.336 3.559 20 0 CHADMN C[C@H]1CCC[C@@H]1CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000474427302 1123526731 /nfs/dbraw/zinc/52/67/31/1123526731.db2.gz PCPMFPJESHDTMN-DTWKUNHWSA-N 0 1 285.746 3.950 20 0 CHADMN CCc1cccc(F)c1CNCc1ccc(C)cc1 ZINC000474468619 1123534162 /nfs/dbraw/zinc/53/41/62/1123534162.db2.gz KVCZCOOIYPPFEY-UHFFFAOYSA-N 0 1 257.352 3.986 20 0 CHADMN CC(C)(NCc1ccc(O)c(F)c1)c1ccc(F)cc1F ZINC000896065747 1123547554 /nfs/dbraw/zinc/54/75/54/1123547554.db2.gz WEWHWOOXOODBEF-UHFFFAOYSA-N 0 1 295.304 3.834 20 0 CHADMN CCc1cccc(F)c1CNCc1ccc(F)c(F)c1 ZINC000474633505 1123562810 /nfs/dbraw/zinc/56/28/10/1123562810.db2.gz ULVPLGADCWGMAW-UHFFFAOYSA-N 0 1 279.305 3.956 20 0 CHADMN Cc1cc(CNCc2ccc3ncccc3c2)c(C)o1 ZINC000114505006 1123564449 /nfs/dbraw/zinc/56/44/49/1123564449.db2.gz VTOFENILMYPSMI-UHFFFAOYSA-N 0 1 266.344 3.734 20 0 CHADMN CCOc1cccc(CNCc2cc(C)oc2C)c1 ZINC000114504841 1123564920 /nfs/dbraw/zinc/56/49/20/1123564920.db2.gz OKIKCXZDRZORLE-UHFFFAOYSA-N 0 1 259.349 3.585 20 0 CHADMN CCOc1ccc(CNCc2cc(C)oc2C)cc1OC ZINC000114505185 1123565064 /nfs/dbraw/zinc/56/50/64/1123565064.db2.gz NPMUQEPFMFNSBS-UHFFFAOYSA-N 0 1 289.375 3.594 20 0 CHADMN Cn1cc(CN[C@@H](CC2CC2)c2ccccc2)c(Cl)n1 ZINC000856772116 1123568226 /nfs/dbraw/zinc/56/82/26/1123568226.db2.gz PGIGBDADHOKAJY-HNNXBMFYSA-N 0 1 289.810 3.705 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CCCCCCC1 ZINC000896302743 1123570864 /nfs/dbraw/zinc/57/08/64/1123570864.db2.gz XYRGJUDCIHNQIU-LBPRGKRZSA-N 0 1 265.401 3.694 20 0 CHADMN Cc1ccoc1CNCc1c(C)oc2ccccc21 ZINC000274227143 1129130592 /nfs/dbraw/zinc/13/05/92/1129130592.db2.gz DDOPHLRNQURBFY-UHFFFAOYSA-N 0 1 255.317 3.932 20 0 CHADMN CCOc1ccccc1CNCC1=Cc2ccccc2OC1 ZINC000102423966 1123577371 /nfs/dbraw/zinc/57/73/71/1123577371.db2.gz VGLXSGOREHINKI-UHFFFAOYSA-N 0 1 295.382 3.651 20 0 CHADMN C[C@H](NCc1cc(F)cc(F)c1)c1cccc(F)c1 ZINC000097901295 1123578525 /nfs/dbraw/zinc/57/85/25/1123578525.db2.gz GIXQKBUEMLPUKA-JTQLQIEISA-N 0 1 265.278 3.955 20 0 CHADMN Cc1n[nH]cc1CN[C@@H]1CCSc2c(Cl)cccc21 ZINC000335951278 1123587459 /nfs/dbraw/zinc/58/74/59/1123587459.db2.gz ADQKBGMAVDAJBO-CYBMUJFWSA-N 0 1 293.823 3.698 20 0 CHADMN CCc1ccc(C(C)(C)C(=O)NOCc2ccccc2)cc1 ZINC000857432625 1123599891 /nfs/dbraw/zinc/59/98/91/1123599891.db2.gz GOPWTRSKXWNWQN-UHFFFAOYSA-N 0 1 297.398 3.775 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]2c2cccnc2)cc1 ZINC000034543522 1123601532 /nfs/dbraw/zinc/60/15/32/1123601532.db2.gz PWMWCUWEJFKUKN-MRXNPFEDSA-N 0 1 256.324 3.558 20 0 CHADMN CCc1ccc(N(CC(C)C)C(=O)[C@H](CC)N(C)C)cc1 ZINC000857500582 1123602838 /nfs/dbraw/zinc/60/28/38/1123602838.db2.gz VJYAGFCRQPFEOP-KRWDZBQOSA-N 0 1 290.451 3.578 20 0 CHADMN CC(C)O[C@H](CN1CC[C@@](C)(F)C1)c1ccccc1 ZINC000428305644 1123602939 /nfs/dbraw/zinc/60/29/39/1123602939.db2.gz LZDVPDCTMNARJU-HZPDHXFCSA-N 0 1 265.372 3.587 20 0 CHADMN CCc1ccc(N(CC(C)C)C(=O)CN(CC)CC)cc1 ZINC000857500784 1123603099 /nfs/dbraw/zinc/60/30/99/1123603099.db2.gz ZDFSCHDMEQMUGT-UHFFFAOYSA-N 0 1 290.451 3.580 20 0 CHADMN C[C@H](NCc1ccsc1)c1ccc(Cl)cn1 ZINC000274907636 1129133173 /nfs/dbraw/zinc/13/31/73/1129133173.db2.gz MLZRYWAANGJVGO-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN Cc1ccc(NC(=O)c2cccc3nc[nH]c32)c(Cl)c1 ZINC000157824143 1129133490 /nfs/dbraw/zinc/13/34/90/1129133490.db2.gz HGPOIVRDLHLRNJ-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN Cc1nc2ccccc2nc1CNC(C)(C)/C=C\Cl ZINC000896747364 1123618391 /nfs/dbraw/zinc/61/83/91/1123618391.db2.gz KIQFHPCGZIWODN-HJWRWDBZSA-N 0 1 275.783 3.559 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000474966244 1123618504 /nfs/dbraw/zinc/61/85/04/1123618504.db2.gz MPXADOXEVKHJLJ-MGPQQGTHSA-N 0 1 297.402 3.583 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000474966242 1123618864 /nfs/dbraw/zinc/61/88/64/1123618864.db2.gz MPXADOXEVKHJLJ-MCIONIFRSA-N 0 1 297.402 3.583 20 0 CHADMN CC(C)N(C)Cc1cc(F)c(Br)cc1F ZINC001141910874 1123619638 /nfs/dbraw/zinc/61/96/38/1123619638.db2.gz ZGLDGKCFWJXQHN-UHFFFAOYSA-N 0 1 278.140 3.568 20 0 CHADMN CC(C)OCc1ccccc1CN[C@H]1CCCc2c[nH]nc21 ZINC000857850654 1123621691 /nfs/dbraw/zinc/62/16/91/1123621691.db2.gz WJHXXSVKEFCBNV-KRWDZBQOSA-N 0 1 299.418 3.502 20 0 CHADMN c1n[nH]c2c1CCC[C@@H]2Nc1ccc2nc(C3CC3)oc2c1 ZINC000857859657 1123622276 /nfs/dbraw/zinc/62/22/76/1123622276.db2.gz GJXMHUVNGOSHTC-AWEZNQCLSA-N 0 1 294.358 3.918 20 0 CHADMN Cc1cccc(C2(N[C@@H]3CCCc4c[nH]nc43)CCC2)c1 ZINC000857873344 1123624006 /nfs/dbraw/zinc/62/40/06/1123624006.db2.gz WXKAZBNLIRZSAI-MRXNPFEDSA-N 0 1 281.403 3.765 20 0 CHADMN Cc1cccc2c1CCC[C@H]2N[C@H]1CCCc2c[nH]nc21 ZINC000857873329 1123624161 /nfs/dbraw/zinc/62/41/61/1123624161.db2.gz WSXBKUVMKKCYFY-SJORKVTESA-N 0 1 281.403 3.763 20 0 CHADMN CC[C@H](OCCN[C@@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000857872431 1123624559 /nfs/dbraw/zinc/62/45/59/1123624559.db2.gz MPMXQJHAEYOKCN-SJORKVTESA-N 0 1 299.418 3.545 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H]1CCc2ccc(Cl)nc21 ZINC000857905321 1123625321 /nfs/dbraw/zinc/62/53/21/1123625321.db2.gz CWMJYAZBWPUMBD-RISCZKNCSA-N 0 1 287.794 3.777 20 0 CHADMN C[C@@H]1CCCC[C@H]1c1noc(-c2ccc3cncn3c2)n1 ZINC000329577887 1123626205 /nfs/dbraw/zinc/62/62/05/1123626205.db2.gz KKDSRXXZEPHFLP-BXUZGUMPSA-N 0 1 282.347 3.678 20 0 CHADMN CCOc1cccc(CN(C)[C@H](C)c2cccs2)n1 ZINC000157830255 1129134559 /nfs/dbraw/zinc/13/45/59/1129134559.db2.gz WEGXCOAMTSTMNP-GFCCVEGCSA-N 0 1 276.405 3.735 20 0 CHADMN CCc1ccc(CN2CCCC[C@H]2c2cccn2C)nc1 ZINC000339010600 1123630257 /nfs/dbraw/zinc/63/02/57/1123630257.db2.gz PONXHGHUKVWLTD-SFHVURJKSA-N 0 1 283.419 3.710 20 0 CHADMN Fc1cc(CN[C@@H]2CCSc3ccccc32)ccn1 ZINC000858088100 1123630357 /nfs/dbraw/zinc/63/03/57/1123630357.db2.gz PTWAWQFBNLAAEX-CYBMUJFWSA-N 0 1 274.364 3.547 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)NCc1ccnc(F)c1 ZINC000858099109 1123630752 /nfs/dbraw/zinc/63/07/52/1123630752.db2.gz JAWDDQQNBUSKGV-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN c1nc(CN2CCC[C@H]2CCC2CCCCC2)co1 ZINC000191947214 1123633519 /nfs/dbraw/zinc/63/35/19/1123633519.db2.gz XEAURDPNTJVRIB-INIZCTEOSA-N 0 1 262.397 4.000 20 0 CHADMN CSCc1cc(F)ccc1CNCc1ccnc(F)c1 ZINC000858149795 1123635085 /nfs/dbraw/zinc/63/50/85/1123635085.db2.gz VKYRULWISOMRNS-UHFFFAOYSA-N 0 1 294.370 3.513 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@@H](C)c1ccnn1C ZINC000192249292 1123637856 /nfs/dbraw/zinc/63/78/56/1123637856.db2.gz VAFNMXVEVSQDFN-GXTWGEPZSA-N 0 1 287.407 3.686 20 0 CHADMN Cc1nocc1CNCc1cn(C(F)F)c2ccccc12 ZINC000858294095 1123642478 /nfs/dbraw/zinc/64/24/78/1123642478.db2.gz JNYBADUVBOZENI-UHFFFAOYSA-N 0 1 291.301 3.623 20 0 CHADMN CC[C@]1(C)CN(Cc2cccc(-c3ccccn3)c2)CCO1 ZINC000443863281 1123643729 /nfs/dbraw/zinc/64/37/29/1123643729.db2.gz QPGPBKQCEOIPKA-LJQANCHMSA-N 0 1 296.414 3.750 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccns2)cc1F ZINC000858316615 1123643995 /nfs/dbraw/zinc/64/39/95/1123643995.db2.gz FHCFZPVOUFWMCW-SNVBAGLBSA-N 0 1 280.368 3.532 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccns2)ccc1SC ZINC000858317429 1123644263 /nfs/dbraw/zinc/64/42/63/1123644263.db2.gz NWZCEZYVXRYHKI-JTQLQIEISA-N 0 1 294.445 3.724 20 0 CHADMN CC[C@]1(C)CN(Cc2cccc(-c3ccncc3)c2)CCO1 ZINC000443856338 1123645012 /nfs/dbraw/zinc/64/50/12/1123645012.db2.gz QSWFHGVKVKZHNR-LJQANCHMSA-N 0 1 296.414 3.750 20 0 CHADMN Clc1ccc2c(c1)[C@@H](NCc1cnc(C3CC3)nc1)CC2 ZINC000858321174 1123645095 /nfs/dbraw/zinc/64/50/95/1123645095.db2.gz VBYIDWKDHNWYJI-INIZCTEOSA-N 0 1 299.805 3.785 20 0 CHADMN CCCn1nccc1CN[C@H]1CCc2ccc(Cl)cc21 ZINC000858321270 1123645142 /nfs/dbraw/zinc/64/51/42/1123645142.db2.gz XTFMBNNHEAQZCF-INIZCTEOSA-N 0 1 289.810 3.724 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccccc21)c1ccncc1F ZINC000335905312 1123650723 /nfs/dbraw/zinc/65/07/23/1123650723.db2.gz RUZAAQAWUNFHNB-BDJLRTHQSA-N 0 1 256.324 3.559 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@H](C)c1ccns1)CCC2 ZINC000858576445 1123663834 /nfs/dbraw/zinc/66/38/34/1123663834.db2.gz KMXSVWBHZQDDNF-SCZZXKLOSA-N 0 1 279.434 3.636 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@@H](C)c1ccns1 ZINC000858577844 1123664877 /nfs/dbraw/zinc/66/48/77/1123664877.db2.gz RKSGMVVWJRRRNS-DTWKUNHWSA-N 0 1 268.407 3.625 20 0 CHADMN C[C@H](N[C@H]1CCCc2c(O)cccc21)c1ccns1 ZINC000858578437 1123665928 /nfs/dbraw/zinc/66/59/28/1123665928.db2.gz ZVQQIAUBWDQHGU-GWCFXTLKSA-N 0 1 274.389 3.577 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1cccc(C)c1C ZINC000071809497 1129137394 /nfs/dbraw/zinc/13/73/94/1129137394.db2.gz GKEDTWIHCLOHQN-UHFFFAOYSA-N 0 1 276.424 3.754 20 0 CHADMN CC[C@@H]1CCC[C@@H](CN(C)Cc2nccs2)C1 ZINC000346188130 1123668936 /nfs/dbraw/zinc/66/89/36/1123668936.db2.gz UUVIONQXKUUMHQ-CHWSQXEVSA-N 0 1 252.427 3.791 20 0 CHADMN C[C@@H]1CN(Cc2cnc([C@H]3CCCO3)s2)CC(C)(C)C1 ZINC000346323411 1123678463 /nfs/dbraw/zinc/67/84/63/1123678463.db2.gz IMBSVXXTCYFQSU-GXTWGEPZSA-N 0 1 294.464 3.863 20 0 CHADMN CC1(C)CCN(Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000346306547 1123679829 /nfs/dbraw/zinc/67/98/29/1123679829.db2.gz FXEHDWQJTWVZGX-UHFFFAOYSA-N 0 1 283.375 3.501 20 0 CHADMN C[C@@H]1CCCCN1Cc1ccc(Oc2ccccc2)nn1 ZINC000346353141 1123680449 /nfs/dbraw/zinc/68/04/49/1123680449.db2.gz RCLZHSBPMFVOKX-CQSZACIVSA-N 0 1 283.375 3.643 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2ccnc(F)c2)c1 ZINC000859088542 1123683095 /nfs/dbraw/zinc/68/30/95/1123683095.db2.gz QRCBZERZDRKWSM-INIZCTEOSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@@H](NCCF)c1ccc(SCC(F)(F)F)cc1 ZINC000281129731 1123683481 /nfs/dbraw/zinc/68/34/81/1123683481.db2.gz SWJUFQKAOXTPCM-SECBINFHSA-N 0 1 281.318 3.961 20 0 CHADMN CSc1ccc([C@H](C)NCc2ccc(F)cn2)cc1 ZINC000281173818 1123684602 /nfs/dbraw/zinc/68/46/02/1123684602.db2.gz AJXFPFMNDHWSKS-NSHDSACASA-N 0 1 276.380 3.793 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2ccc(F)cn2)c1 ZINC000346521307 1123691304 /nfs/dbraw/zinc/69/13/04/1123691304.db2.gz CIKYYUGNGCCPDD-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN C[C@@H](CNCc1noc(-c2cccs2)n1)c1ccccc1 ZINC000281281729 1123693389 /nfs/dbraw/zinc/69/33/89/1123693389.db2.gz XMVGGPUQZBNWSL-LBPRGKRZSA-N 0 1 299.399 3.691 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc(C(C)(C)C)cs1)[C@H]1CCCO1 ZINC000346569270 1123694131 /nfs/dbraw/zinc/69/41/31/1123694131.db2.gz XNSDCJSQAMZXNH-GRYCIOLGSA-N 0 1 282.453 3.659 20 0 CHADMN c1cc(-c2nc(-c3ccc4[nH]cnc4c3)no2)c(C2CC2)o1 ZINC000346579382 1123697869 /nfs/dbraw/zinc/69/78/69/1123697869.db2.gz WMGMLTPLAXEKJA-UHFFFAOYSA-N 0 1 292.298 3.750 20 0 CHADMN Cc1ccc(F)c(CNCc2ccc(C)c(F)c2)c1 ZINC000116912686 1123705587 /nfs/dbraw/zinc/70/55/87/1123705587.db2.gz XPKOFAMGKMGDLQ-UHFFFAOYSA-N 0 1 261.315 3.871 20 0 CHADMN Cc1nc(CN2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cs1 ZINC000859928476 1123715731 /nfs/dbraw/zinc/71/57/31/1123715731.db2.gz KINAONZMKJPZPD-BHYGNILZSA-N 0 1 284.428 3.687 20 0 CHADMN CCc1nc(CN2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cs1 ZINC000859930682 1123715771 /nfs/dbraw/zinc/71/57/71/1123715771.db2.gz ARBNTFPZXBMGIA-BHYGNILZSA-N 0 1 298.455 3.941 20 0 CHADMN C/C=C\C[C@@H]1CCCN(Cc2ncc(C(C)C)o2)C1 ZINC000860178865 1123724277 /nfs/dbraw/zinc/72/42/77/1123724277.db2.gz FJZHJHAOJUUCSX-ZRUQZJFASA-N 0 1 262.397 3.976 20 0 CHADMN COc1ccncc1CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000346988974 1123739485 /nfs/dbraw/zinc/73/94/85/1123739485.db2.gz USMZLUBCXHENQR-GOSISDBHSA-N 0 1 294.398 3.742 20 0 CHADMN CC[C@H](N[C@H](C)c1cc(C)n(C)n1)c1ccc(OC)cc1 ZINC000281942296 1123754479 /nfs/dbraw/zinc/75/44/79/1123754479.db2.gz ADGCQSUXPMDXHL-CJNGLKHVSA-N 0 1 287.407 3.539 20 0 CHADMN CCc1nc(CN[C@@H]2CCc3cccc(Cl)c3C2)co1 ZINC000840758687 1123777302 /nfs/dbraw/zinc/77/73/02/1123777302.db2.gz DVXHQRPMLSYLQT-GFCCVEGCSA-N 0 1 290.794 3.538 20 0 CHADMN CCN(Cc1ccc(F)cc1Br)C(C)C ZINC000042338435 1123782848 /nfs/dbraw/zinc/78/28/48/1123782848.db2.gz PQHITAIXHXVYIJ-UHFFFAOYSA-N 0 1 274.177 3.819 20 0 CHADMN CCCN(Cc1ccccc1Br)C1CC1 ZINC000042295680 1123783385 /nfs/dbraw/zinc/78/33/85/1123783385.db2.gz NOYLTTXEWCOUSQ-UHFFFAOYSA-N 0 1 268.198 3.824 20 0 CHADMN CCSCCSc1nnc(CCC2CCCC2)[nH]1 ZINC000118611914 1123787001 /nfs/dbraw/zinc/78/70/01/1123787001.db2.gz RRJSTFZRGMEYQO-UHFFFAOYSA-N 0 1 285.482 3.773 20 0 CHADMN CCSCCSc1nc(CCC2CCCC2)n[nH]1 ZINC000118611914 1123787004 /nfs/dbraw/zinc/78/70/04/1123787004.db2.gz RRJSTFZRGMEYQO-UHFFFAOYSA-N 0 1 285.482 3.773 20 0 CHADMN Cc1c(F)nccc1CN1CCC[C@H]1c1cccs1 ZINC000862212209 1123792114 /nfs/dbraw/zinc/79/21/14/1123792114.db2.gz FJNNNOUBUVNPNR-ZDUSSCGKSA-N 0 1 276.380 3.928 20 0 CHADMN Cc1c(F)nccc1CN1CCC[C@H]1c1ccsc1 ZINC000862220385 1123793284 /nfs/dbraw/zinc/79/32/84/1123793284.db2.gz LWKQBVXYAYWROC-AWEZNQCLSA-N 0 1 276.380 3.928 20 0 CHADMN Cc1c(F)nccc1CN1CCCc2sccc2C1 ZINC000862241641 1123793783 /nfs/dbraw/zinc/79/37/83/1123793783.db2.gz GDQBZSSPUOFXOC-UHFFFAOYSA-N 0 1 276.380 3.539 20 0 CHADMN Cc1c(CN2CCC[C@H]2c2ccc(O)cc2)ccnc1F ZINC000862232530 1123794812 /nfs/dbraw/zinc/79/48/12/1123794812.db2.gz BAGDUYGGEYRUDN-INIZCTEOSA-N 0 1 286.350 3.572 20 0 CHADMN CC[C@@]1(CO)CCCN1Cc1cc(Cl)ccc1Cl ZINC000475129223 1123796486 /nfs/dbraw/zinc/79/64/86/1123796486.db2.gz PNZYEINOULJYIQ-AWEZNQCLSA-N 0 1 288.218 3.730 20 0 CHADMN CCCOc1ccc(CNCc2ccnc(F)c2C)cc1 ZINC000862273358 1123797468 /nfs/dbraw/zinc/79/74/68/1123797468.db2.gz GOAOOOKFWAPOQM-UHFFFAOYSA-N 0 1 288.366 3.608 20 0 CHADMN CCSc1cccc(CNCc2ccnc(F)c2C)c1 ZINC000862374788 1123804738 /nfs/dbraw/zinc/80/47/38/1123804738.db2.gz QUJLQVQHPHPEPX-UHFFFAOYSA-N 0 1 290.407 3.931 20 0 CHADMN Cc1cc(C)c(CN(C)[C@@H](C)c2cccnc2)c(C)n1 ZINC000639550804 1123813893 /nfs/dbraw/zinc/81/38/93/1123813893.db2.gz AUOWEBMZFKGMGX-HNNXBMFYSA-N 0 1 269.392 3.595 20 0 CHADMN CCOc1c(Cl)cccc1CN1CCC[C@@](C)(OC)C1 ZINC000475274570 1123832046 /nfs/dbraw/zinc/83/20/46/1123832046.db2.gz NUTTUFKNWWFSFJ-MRXNPFEDSA-N 0 1 297.826 3.740 20 0 CHADMN C[C@H]1CC[C@H](CN2CC=C(c3ccccc3Cl)CC2)O1 ZINC000475310752 1123838959 /nfs/dbraw/zinc/83/89/59/1123838959.db2.gz DUNQMOGPRWRBIZ-DZGCQCFKSA-N 0 1 291.822 3.997 20 0 CHADMN Cc1nc2ccc(NC(=O)C[C@H]3CCC(F)(F)C3)cc2[nH]1 ZINC000797805103 1123840668 /nfs/dbraw/zinc/84/06/68/1123840668.db2.gz GUPBPYONHOUOQU-SNVBAGLBSA-N 0 1 293.317 3.635 20 0 CHADMN CCCC[N@@H+](CC)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000248177332 1123850364 /nfs/dbraw/zinc/85/03/64/1123850364.db2.gz ZQJXAJQBIFAERN-MRXNPFEDSA-N 0 1 290.451 3.603 20 0 CHADMN COc1ccccc1CN(C)[C@H](C)c1cccs1 ZINC000158656184 1129149666 /nfs/dbraw/zinc/14/96/66/1129149666.db2.gz VJBBGNYNWFZUKR-GFCCVEGCSA-N 0 1 261.390 3.950 20 0 CHADMN CC(C)SCSc1nc(-c2ccccc2)n[nH]1 ZINC000863253416 1123856190 /nfs/dbraw/zinc/85/61/90/1123856190.db2.gz JRLWSWCWMLZKCL-UHFFFAOYSA-N 0 1 265.407 3.663 20 0 CHADMN CC(C)OCC(C)(C)NCc1ccsc1Cl ZINC000396368452 1123856540 /nfs/dbraw/zinc/85/65/40/1123856540.db2.gz PYOMBCTURAHBGW-UHFFFAOYSA-N 0 1 261.818 3.695 20 0 CHADMN CC[C@@H](C)NC(=S)Nc1ccc(C)cc1SC ZINC000840856725 1123858181 /nfs/dbraw/zinc/85/81/81/1123858181.db2.gz KAYGTDKRLOQWDF-SNVBAGLBSA-N 0 1 268.451 3.802 20 0 CHADMN CCOc1ccc(CN(C)Cc2cncc(Cl)c2)cc1 ZINC000621245620 1129152934 /nfs/dbraw/zinc/15/29/34/1129152934.db2.gz NKFGYIANFXNVAV-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN CC1(C)C[C@@H](NCc2c(Cl)cccc2Cl)CO1 ZINC000396487833 1123860197 /nfs/dbraw/zinc/86/01/97/1123860197.db2.gz APGOVUJSMBIHCX-SECBINFHSA-N 0 1 274.191 3.651 20 0 CHADMN CCCn1nc(C)c(CN(CC)Cc2ccccc2)c1C ZINC000158683780 1129151001 /nfs/dbraw/zinc/15/10/01/1129151001.db2.gz DNXGZMDHLANKEB-UHFFFAOYSA-N 0 1 285.435 3.932 20 0 CHADMN CCc1oc2ccccc2c1Cc1nc([C@H](N)C(C)C)no1 ZINC000863657032 1123884785 /nfs/dbraw/zinc/88/47/85/1123884785.db2.gz QAGNIHFIXPFZRS-MRXNPFEDSA-N 0 1 299.374 3.625 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccc(Cl)nc1 ZINC000840875398 1123887231 /nfs/dbraw/zinc/88/72/31/1123887231.db2.gz GKFMOLKIMVBHLA-YUSALJHKSA-N 0 1 256.752 3.666 20 0 CHADMN Cc1cc(CN2CCSC[C@@H]2c2ccccc2)ccn1 ZINC000621257939 1129152743 /nfs/dbraw/zinc/15/27/43/1129152743.db2.gz QXOOTZRRHQLVFS-QGZVFWFLSA-N 0 1 284.428 3.680 20 0 CHADMN Clc1cnccc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000301591206 1123915529 /nfs/dbraw/zinc/91/55/29/1123915529.db2.gz QRGTWYSDCTYXPW-AWEZNQCLSA-N 0 1 291.782 3.577 20 0 CHADMN Cc1ccnc(NCC2(c3ccccc3)CCOCC2)c1 ZINC000301654079 1123921195 /nfs/dbraw/zinc/92/11/95/1123921195.db2.gz UOIOZKABSOYVAN-UHFFFAOYSA-N 0 1 282.387 3.550 20 0 CHADMN Cc1cc(N[C@H](CCO)C(C)C)c2cc(F)ccc2n1 ZINC000301669833 1123922688 /nfs/dbraw/zinc/92/26/88/1123922688.db2.gz NJYWFKBDOVTPQX-CQSZACIVSA-N 0 1 276.355 3.501 20 0 CHADMN Cc1sc(C)c2c1[nH]c([C@H]1CCCS1)nc2=O ZINC000864354331 1123924061 /nfs/dbraw/zinc/92/40/61/1123924061.db2.gz DZRIRDAWDDLBNH-MRVPVSSYSA-N 0 1 266.391 3.582 20 0 CHADMN Cc1cccc([C@H](O)CNc2ccnc3cc(F)ccc32)c1 ZINC000301684881 1123924243 /nfs/dbraw/zinc/92/42/43/1123924243.db2.gz HLZPOHCVCHAJCB-GOSISDBHSA-N 0 1 296.345 3.828 20 0 CHADMN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccn[nH]1 ZINC000339070424 1123937801 /nfs/dbraw/zinc/93/78/01/1123937801.db2.gz NKMFKVULUOCQNV-MRVPVSSYSA-N 0 1 298.173 3.550 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(Br)cn1)c1ccc[nH]1 ZINC000794819331 1123960535 /nfs/dbraw/zinc/96/05/35/1123960535.db2.gz WEQQJCUQZVYSPW-ZJUUUORDSA-N 0 1 294.196 3.584 20 0 CHADMN Cc1cc(N[C@@H]2C[C@H]3OCCC[C@@H]23)c2cc(F)ccc2n1 ZINC000302537118 1123972248 /nfs/dbraw/zinc/97/22/48/1123972248.db2.gz GTORXCRJDLCRCS-JCURWCKSSA-N 0 1 286.350 3.662 20 0 CHADMN Cc1cc(N[C@@H]2C[C@@H]3OCCC[C@@H]23)c2cc(F)ccc2n1 ZINC000302537120 1123972292 /nfs/dbraw/zinc/97/22/92/1123972292.db2.gz GTORXCRJDLCRCS-VUCTXSBTSA-N 0 1 286.350 3.662 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NCc1cccc(Cl)c1C ZINC000865449081 1123985512 /nfs/dbraw/zinc/98/55/12/1123985512.db2.gz PJHSXHKGISXNBJ-LLVKDONJSA-N 0 1 277.799 3.541 20 0 CHADMN CN1CC[C@@H](Nc2ncccc2Cl)[C@H]1c1ccccc1 ZINC000302831363 1123985677 /nfs/dbraw/zinc/98/56/77/1123985677.db2.gz QVBJNHCVKUDKHM-HUUCEWRRSA-N 0 1 287.794 3.592 20 0 CHADMN CC[C@@](C)(NCc1cc2c(cc[nH]c2=O)o1)c1ccccc1 ZINC000865455796 1123986274 /nfs/dbraw/zinc/98/62/74/1123986274.db2.gz FUFRYMBRKHJBSS-GOSISDBHSA-N 0 1 296.370 3.948 20 0 CHADMN Cc1cccc(C(C)(C)NCc2cn(C3CC3)cn2)c1 ZINC000865468579 1123987140 /nfs/dbraw/zinc/98/71/40/1123987140.db2.gz IVFNTVVZKKFQNK-UHFFFAOYSA-N 0 1 269.392 3.551 20 0 CHADMN C[C@@H]1CN(CCc2cccs2)C[C@H](c2ccsc2)O1 ZINC000120577438 1123988518 /nfs/dbraw/zinc/98/85/18/1123988518.db2.gz FRUOSDQEWUZCLH-IUODEOHRSA-N 0 1 293.457 3.814 20 0 CHADMN CC(C)(C)Oc1cccc(CNCc2ccc(F)cn2)c1 ZINC000865493263 1123989510 /nfs/dbraw/zinc/98/95/10/1123989510.db2.gz CKZJYOJILNSBGM-UHFFFAOYSA-N 0 1 288.366 3.688 20 0 CHADMN Cc1csc(C[C@@H]2CCN(Cc3ccc(Cl)o3)C2)n1 ZINC000897299330 1123992954 /nfs/dbraw/zinc/99/29/54/1123992954.db2.gz ZAKCZGQUUQLXBW-NSHDSACASA-N 0 1 296.823 3.763 20 0 CHADMN Cc1nc(C)c(CN[C@@H](C)c2cnn(C3CCC3)c2)s1 ZINC000925148774 1123997330 /nfs/dbraw/zinc/99/73/30/1123997330.db2.gz OXOASZFRFNFZCV-JTQLQIEISA-N 0 1 290.436 3.532 20 0 CHADMN Cc1ccccc1C1(NCc2cn(C3CC3)cn2)CCC1 ZINC000865614278 1123999411 /nfs/dbraw/zinc/99/94/11/1123999411.db2.gz CDKSEUMWPNBZDU-UHFFFAOYSA-N 0 1 281.403 3.695 20 0 CHADMN c1nc(-c2ccccc2)[nH]c1CNc1cccc2c1CCO2 ZINC000475509349 1123999949 /nfs/dbraw/zinc/99/99/49/1123999949.db2.gz RPXNCCKZRFAEPG-UHFFFAOYSA-N 0 1 291.354 3.624 20 0 CHADMN CC(C)(C)Oc1cccc(CNCc2ccns2)c1 ZINC000865638907 1124002267 /nfs/dbraw/zinc/00/22/67/1124002267.db2.gz LTGNKKAEPYLHHJ-UHFFFAOYSA-N 0 1 276.405 3.610 20 0 CHADMN COc1ccc(CNCc2conc2C)cc1C(C)(C)C ZINC000865678887 1124005167 /nfs/dbraw/zinc/00/51/67/1124005167.db2.gz TTXOOFSGGUZQOO-UHFFFAOYSA-N 0 1 288.391 3.579 20 0 CHADMN Cc1ccnc(CN[C@@]23C[C@@H]2CCCC3)c1Br ZINC000865704387 1124006959 /nfs/dbraw/zinc/00/69/59/1124006959.db2.gz SBSRWVMPPRVTRG-FZMZJTMJSA-N 0 1 295.224 3.575 20 0 CHADMN CCCCCc1cc(C(=O)N2CCC3(CCC3)CC2)n[nH]1 ZINC000614777387 1124013786 /nfs/dbraw/zinc/01/37/86/1124013786.db2.gz JHIWLZBQWLDPOF-UHFFFAOYSA-N 0 1 289.423 3.549 20 0 CHADMN Cc1cnc(CN[C@@H]2CCc3cccc(C)c32)s1 ZINC000925152100 1124014141 /nfs/dbraw/zinc/01/41/41/1124014141.db2.gz NEORDLPEAFWAJT-CYBMUJFWSA-N 0 1 258.390 3.537 20 0 CHADMN C[C@@H](NCc1ccc(F)cc1)c1ccc(Cl)nc1 ZINC000179092522 1124014516 /nfs/dbraw/zinc/01/45/16/1124014516.db2.gz FWEFUVQMLJPGAB-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(F)cc1C(C)(F)F ZINC000865827657 1124017396 /nfs/dbraw/zinc/01/73/96/1124017396.db2.gz QNMAFWVARPBLSJ-UHFFFAOYSA-N 0 1 269.270 3.581 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccnn2C)ccc1C(F)(F)F ZINC000865837405 1124019808 /nfs/dbraw/zinc/01/98/08/1124019808.db2.gz FGZXMXVFCPCLOM-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN C[C@@H](NCc1cccc(CC2CCC2)c1)c1ccnn1C ZINC000865837899 1124020051 /nfs/dbraw/zinc/02/00/51/1124020051.db2.gz MTTRAOBVDFWGMK-CQSZACIVSA-N 0 1 283.419 3.614 20 0 CHADMN C[C@H](NCc1cnn(C(C)(C)C)c1)c1cc2cnccc2o1 ZINC000865852119 1124021781 /nfs/dbraw/zinc/02/17/81/1124021781.db2.gz NKQRBKQUQDYNIT-LBPRGKRZSA-N 0 1 298.390 3.630 20 0 CHADMN FC(F)(F)c1cnccc1N1CCC[C@]2(CC2(F)F)C1 ZINC000865911947 1124024991 /nfs/dbraw/zinc/02/49/91/1124024991.db2.gz XJENLROKKZOYGF-NSHDSACASA-N 0 1 292.251 3.726 20 0 CHADMN Cc1ccc(C)c(CN2CCn3cccc3[C@@H]2C)c1 ZINC000105030311 1124025153 /nfs/dbraw/zinc/02/51/53/1124025153.db2.gz CILMWQBWVTZUOQ-HNNXBMFYSA-N 0 1 254.377 3.682 20 0 CHADMN C[C@H]1CN(c2ccncc2C(F)(F)F)C[C@H](C)C1(F)F ZINC000865963301 1124027492 /nfs/dbraw/zinc/02/74/92/1124027492.db2.gz LRHANSRZAIXJTR-IUCAKERBSA-N 0 1 294.267 3.828 20 0 CHADMN CCC(C)=C(C)C(=O)N[C@@H](CC)c1nc2ccccc2[nH]1 ZINC000779905761 1129161489 /nfs/dbraw/zinc/16/14/89/1129161489.db2.gz NRQJXCMGWHJCNF-YLSINNKHSA-N 0 1 285.391 3.877 20 0 CHADMN CCCCN(Cc1nc(-c2ccccc2F)no1)C1CC1 ZINC000444591843 1124044051 /nfs/dbraw/zinc/04/40/51/1124044051.db2.gz NZYKVKWUPPHGJX-UHFFFAOYSA-N 0 1 289.354 3.640 20 0 CHADMN CSc1cc(CN[C@@H](c2ccccn2)C(C)C)ccn1 ZINC000866288767 1124048520 /nfs/dbraw/zinc/04/85/20/1124048520.db2.gz MZONAVFNCBYREJ-MRXNPFEDSA-N 0 1 287.432 3.685 20 0 CHADMN CCC(C)(C)[C@@H]1CCCN1Cc1nncn1-c1ccccc1 ZINC000444660323 1124049620 /nfs/dbraw/zinc/04/96/20/1124049620.db2.gz JRKMGGNSWNUEDY-INIZCTEOSA-N 0 1 298.434 3.668 20 0 CHADMN F[C@@H]1COc2ccccc2[C@H]1NC1CCC(F)(F)CC1 ZINC000866313136 1124050809 /nfs/dbraw/zinc/05/08/09/1124050809.db2.gz WUQHKQXYLTXCDX-TZMCWYRMSA-N 0 1 285.309 3.626 20 0 CHADMN Cc1ccc(F)c(CN(C)C[C@@H]2CCC(C)(C)O2)c1 ZINC000444729253 1124055952 /nfs/dbraw/zinc/05/59/52/1124055952.db2.gz FNNMARFEQCMEKN-AWEZNQCLSA-N 0 1 265.372 3.524 20 0 CHADMN C[C@H](CN[C@H]1c2ccccc2OC[C@H]1F)CC(F)(F)F ZINC000866374669 1124059448 /nfs/dbraw/zinc/05/94/48/1124059448.db2.gz FTYPETBHQAXUNL-NDMJEZRESA-N 0 1 291.288 3.636 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN1CCC[C@@H](C(C)C)C1 ZINC000444751045 1124059619 /nfs/dbraw/zinc/05/96/19/1124059619.db2.gz BEHJVSRSNMAQCI-MRXNPFEDSA-N 0 1 288.435 3.610 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCC[C@@H](C(C)C)C2)n1 ZINC000444774127 1124062056 /nfs/dbraw/zinc/06/20/56/1124062056.db2.gz VBHHAFBEAAFEKQ-ZIAGYGMSSA-N 0 1 279.428 3.841 20 0 CHADMN CCCc1ccc(CNCc2cn3ccc(C)cc3n2)s1 ZINC000621333926 1129163962 /nfs/dbraw/zinc/16/39/62/1129163962.db2.gz XNPPCQITNHPHNG-UHFFFAOYSA-N 0 1 299.443 3.947 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CCCC12CCC2 ZINC000444789308 1124065111 /nfs/dbraw/zinc/06/51/11/1124065111.db2.gz DLYGOCRIOKHBLN-UHFFFAOYSA-N 0 1 287.382 3.714 20 0 CHADMN COCCN(Cc1ccc(C)o1)Cc1cccc(C)c1 ZINC000195674728 1124066273 /nfs/dbraw/zinc/06/62/73/1124066273.db2.gz IPHNEEDPIKIWCO-UHFFFAOYSA-N 0 1 273.376 3.545 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@@H]1CCCC[C@@H]1F ZINC000866449413 1124066593 /nfs/dbraw/zinc/06/65/93/1124066593.db2.gz BLNYQQNMPUVNEX-OUAUKWLOSA-N 0 1 257.374 3.688 20 0 CHADMN CCc1cnc(CN[C@H]2CCc3cccc(C)c32)s1 ZINC000925162490 1124070468 /nfs/dbraw/zinc/07/04/68/1124070468.db2.gz HFCQAKLFNIJEIN-AWEZNQCLSA-N 0 1 272.417 3.791 20 0 CHADMN CCOc1cncc(CNCc2ccc(C(C)C)cc2)c1 ZINC000621330969 1129164269 /nfs/dbraw/zinc/16/42/69/1129164269.db2.gz LKVJBTBLLVZCFW-UHFFFAOYSA-N 0 1 284.403 3.894 20 0 CHADMN Cc1ccc2nc(SCCc3cccnc3)[nH]c2c1 ZINC000114095931 1124074964 /nfs/dbraw/zinc/07/49/64/1124074964.db2.gz DMKXYKKLZJJJCD-UHFFFAOYSA-N 0 1 269.373 3.601 20 0 CHADMN Cc1ccc(-c2noc(CN3[C@H](C)CC[C@@H]3C)n2)c(F)c1 ZINC000445382435 1124081738 /nfs/dbraw/zinc/08/17/38/1124081738.db2.gz FIOYDEKWQAJVGB-TXEJJXNPSA-N 0 1 289.354 3.557 20 0 CHADMN C[C@@H](NCc1ccc(C(C)(C)C)o1)c1cccc(CO)c1 ZINC000866572703 1124083885 /nfs/dbraw/zinc/08/38/85/1124083885.db2.gz BBOKXDBSYGASSZ-CYBMUJFWSA-N 0 1 287.403 3.920 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2CC=CC[C@H]2C(F)(F)F)cs1 ZINC000866611065 1124087698 /nfs/dbraw/zinc/08/76/98/1124087698.db2.gz YXBQENOAXHJFBT-JMJZKYOTSA-N 0 1 290.354 3.999 20 0 CHADMN C[C@H](N[C@H]1C[C@H](C)Sc2sccc21)c1ccnn1C ZINC000866614101 1124089612 /nfs/dbraw/zinc/08/96/12/1124089612.db2.gz XZUUMUWTMLZOGW-NHCYSSNCSA-N 0 1 293.461 3.758 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2cc3cnccc3o2)c(C)n1 ZINC000866621216 1124090167 /nfs/dbraw/zinc/09/01/67/1124090167.db2.gz PJCKBDJGSVQLAP-ZYHUDNBSSA-N 0 1 296.374 3.646 20 0 CHADMN c1nc2c(s1)CCC[C@H]2NC1([C@@H]2CCCCO2)CCC1 ZINC000866623543 1124091209 /nfs/dbraw/zinc/09/12/09/1124091209.db2.gz RRMFUSIMXJZUKG-OCCSQVGLSA-N 0 1 292.448 3.602 20 0 CHADMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1cnoc1C ZINC000445814159 1124101871 /nfs/dbraw/zinc/10/18/71/1124101871.db2.gz SADWAYBFXBTILK-ZUZCIYMTSA-N 0 1 294.782 3.502 20 0 CHADMN Cc1cccc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])c1C ZINC000086754803 1129166338 /nfs/dbraw/zinc/16/63/38/1129166338.db2.gz QDTFZVPJBDDXQF-INIZCTEOSA-N 0 1 275.392 3.523 20 0 CHADMN COc1cc2c(cc1F)nccc2NCC[C@@H]1CC1(F)F ZINC000621346521 1129166463 /nfs/dbraw/zinc/16/64/63/1129166463.db2.gz RAIUCXBGRROFAI-SECBINFHSA-N 0 1 296.292 3.840 20 0 CHADMN FC(F)(F)c1cccc([C@H]2C[C@H](NCc3ccon3)C2)c1 ZINC000634979331 1129168442 /nfs/dbraw/zinc/16/84/42/1129168442.db2.gz BDLVCOKKLJRAFZ-YEORSEQZSA-N 0 1 296.292 3.729 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CCCCC(C)(C)C1 ZINC000446065853 1124108506 /nfs/dbraw/zinc/10/85/06/1124108506.db2.gz DSBMVVHXSKDWNN-GFCCVEGCSA-N 0 1 279.428 3.940 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2n[nH]c(C(C)C)n2)cc1 ZINC000428440622 1124113318 /nfs/dbraw/zinc/11/33/18/1124113318.db2.gz FLOVVZVEQYWADT-OAHLLOKOSA-N 0 1 284.407 3.574 20 0 CHADMN C[C@@H](c1nc(-c2ccccc2)no1)N(C)CC1CCC1 ZINC000114722215 1124116788 /nfs/dbraw/zinc/11/67/88/1124116788.db2.gz ZHLCPBUUPJGGDG-LBPRGKRZSA-N 0 1 271.364 3.530 20 0 CHADMN Clc1ccccc1-c1ccc(CN2CC3(COC3)C2)cc1 ZINC001142095060 1124118412 /nfs/dbraw/zinc/11/84/12/1124118412.db2.gz AMFJEFDAXZRNKV-UHFFFAOYSA-N 0 1 299.801 3.839 20 0 CHADMN COc1ccc(C(=O)Nc2cccc(Cl)c2O)c(C)c1 ZINC000525243067 1124119102 /nfs/dbraw/zinc/11/91/02/1124119102.db2.gz MVFKAFMLYRRVNO-UHFFFAOYSA-N 0 1 291.734 3.615 20 0 CHADMN CC(C)OC(=O)CCN1CCC[C@H]1c1ccccc1Cl ZINC000525270484 1124119194 /nfs/dbraw/zinc/11/91/94/1124119194.db2.gz QOVVQVHCEQCNFR-HNNXBMFYSA-N 0 1 295.810 3.819 20 0 CHADMN COC(=O)c1cc(F)ccc1CN1CCC[C@H]1C(C)(C)C ZINC000525273371 1124119707 /nfs/dbraw/zinc/11/97/07/1124119707.db2.gz OWZXSIQTWTWECK-HNNXBMFYSA-N 0 1 293.382 3.623 20 0 CHADMN CC[C@@H]1CCN(Cc2csc(-c3ccc(C)o3)n2)C1 ZINC000446734591 1124119857 /nfs/dbraw/zinc/11/98/57/1124119857.db2.gz GEZLQTOXXHAMQC-GFCCVEGCSA-N 0 1 276.405 3.943 20 0 CHADMN CC(C)Cc1noc(CN(C)C2CCC(C)(C)CC2)n1 ZINC000446736784 1124121366 /nfs/dbraw/zinc/12/13/66/1124121366.db2.gz RGZUYIAXQGOHAF-UHFFFAOYSA-N 0 1 279.428 3.669 20 0 CHADMN CCCCc1nc(CN2CC[C@@H](CC)C2)cs1 ZINC000446738949 1124121480 /nfs/dbraw/zinc/12/14/80/1124121480.db2.gz OMRKOEHZFCLBNG-GFCCVEGCSA-N 0 1 252.427 3.718 20 0 CHADMN CCC1(CC)CCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000446737843 1124121526 /nfs/dbraw/zinc/12/15/26/1124121526.db2.gz BXDNHSMBVUOLOP-UHFFFAOYSA-N 0 1 285.391 3.749 20 0 CHADMN CCC(CC)n1ccc(CN2CCC[C@H](C)CC2)n1 ZINC000446766181 1124121544 /nfs/dbraw/zinc/12/15/44/1124121544.db2.gz HLKRYYCZRZTILK-AWEZNQCLSA-N 0 1 263.429 3.866 20 0 CHADMN CC(C)c1noc([C@H](C)N2CC[C@@](C)(c3ccccc3)C2)n1 ZINC000446738147 1124121616 /nfs/dbraw/zinc/12/16/16/1124121616.db2.gz FMTVADBZFANNSU-KBXCAEBGSA-N 0 1 299.418 3.918 20 0 CHADMN CO[C@@H](C)c1nc(CN(CC2CCC2)C(C)C)cs1 ZINC000193216234 1124124046 /nfs/dbraw/zinc/12/40/46/1124124046.db2.gz GBWYITDAMAYLMY-LBPRGKRZSA-N 0 1 282.453 3.861 20 0 CHADMN Cc1[nH]ncc1CN1C[C@H](C(C)(C)C)c2ccccc21 ZINC000446834495 1124124781 /nfs/dbraw/zinc/12/47/81/1124124781.db2.gz KGXAUJVUNUSDDG-HNNXBMFYSA-N 0 1 269.392 3.868 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2coc(-c3cccs3)n2)C1 ZINC000525408233 1124126797 /nfs/dbraw/zinc/12/67/97/1124126797.db2.gz QIIHNSLLKPGCMY-MNOVXSKESA-N 0 1 262.378 3.633 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000525407766 1124127130 /nfs/dbraw/zinc/12/71/30/1124127130.db2.gz ISDGKEWQZGMKTJ-MNOVXSKESA-N 0 1 291.782 3.620 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCOC2CCCCCC2)on1 ZINC000525422920 1124127761 /nfs/dbraw/zinc/12/77/61/1124127761.db2.gz GJGRRQIIPMDYIJ-INIZCTEOSA-N 0 1 292.423 3.859 20 0 CHADMN CCCc1nc(C)c(CN(C)Cc2ccccc2C)o1 ZINC000428460032 1124129220 /nfs/dbraw/zinc/12/92/20/1124129220.db2.gz FKHKKVUPRQNDPY-UHFFFAOYSA-N 0 1 272.392 3.876 20 0 CHADMN C[C@@H]1CCC[C@@H](CSCc2n[nH]c(C3CC3)n2)C1 ZINC000447026941 1124130374 /nfs/dbraw/zinc/13/03/74/1124130374.db2.gz BSSCUDLXLXBCKG-GHMZBOCLSA-N 0 1 265.426 3.742 20 0 CHADMN CC(C)O[C@@H](CN1C[C@H](C)OC(C)(C)C1)c1ccccc1 ZINC000428465619 1124130708 /nfs/dbraw/zinc/13/07/08/1124130708.db2.gz SNVBUBXFNJOUBO-RDJZCZTQSA-N 0 1 291.435 3.652 20 0 CHADMN c1ccc2c(c1)CC[C@@H](CSCc1n[nH]c(C3CC3)n1)C2 ZINC000447054954 1124130812 /nfs/dbraw/zinc/13/08/12/1124130812.db2.gz RBDDEMJTPXFVKZ-GFCCVEGCSA-N 0 1 299.443 3.720 20 0 CHADMN Cc1nc(CN2CCC[C@H]2c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000428464160 1124130828 /nfs/dbraw/zinc/13/08/28/1124130828.db2.gz TZHSMGALEONJLH-INIZCTEOSA-N 0 1 298.434 3.748 20 0 CHADMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccccc1Cl ZINC000447091681 1124132342 /nfs/dbraw/zinc/13/23/42/1124132342.db2.gz UIZDTYNYNSWISK-UHFFFAOYSA-N 0 1 291.826 3.993 20 0 CHADMN FC(F)[C@@H](NCCC1CCOCC1)C1CCCCC1 ZINC000621400466 1129172834 /nfs/dbraw/zinc/17/28/34/1129172834.db2.gz IKILESOOEGWRRW-AWEZNQCLSA-N 0 1 275.383 3.607 20 0 CHADMN Cc1cnccc1CCN[C@H](C(F)F)C1CCCCC1 ZINC000621400625 1129173134 /nfs/dbraw/zinc/17/31/34/1129173134.db2.gz MYSNNSVZIFFUGN-HNNXBMFYSA-N 0 1 282.378 3.736 20 0 CHADMN FC(F)[C@@H](NCCCCCn1cccn1)C1CCCCC1 ZINC000621403892 1129173598 /nfs/dbraw/zinc/17/35/98/1129173598.db2.gz BNSAXCHUMQWLBH-HNNXBMFYSA-N 0 1 299.409 3.857 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@]3(CCCO3)C2)c1Cl ZINC001238777141 1131244876 /nfs/dbraw/zinc/24/48/76/1131244876.db2.gz LQFAAWVAUYWVJN-OAHLLOKOSA-N 0 1 283.774 3.542 20 0 CHADMN Cc1cc(F)cc(CN2CCCC[C@@](C)(O)C2)c1Cl ZINC001238775685 1131244990 /nfs/dbraw/zinc/24/49/90/1131244990.db2.gz CULFUXZCPWWALW-OAHLLOKOSA-N 0 1 285.790 3.524 20 0 CHADMN Cc1cc(F)cc(CN2C3CCC2CC3)c1Cl ZINC001238781668 1131245973 /nfs/dbraw/zinc/24/59/73/1131245973.db2.gz RRSKDJPGIPODKH-UHFFFAOYSA-N 0 1 253.748 3.914 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001238786685 1131247321 /nfs/dbraw/zinc/24/73/21/1131247321.db2.gz FIWOHXKNHRASRV-CHIMOYNISA-N 0 1 271.738 3.720 20 0 CHADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)cc(C)c1Cl ZINC001238785562 1131247901 /nfs/dbraw/zinc/24/79/01/1131247901.db2.gz ZJACJWDQDZRQLX-YIONKMFJSA-N 0 1 297.801 3.929 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CCC2(CCO2)CC1 ZINC001238784730 1131247950 /nfs/dbraw/zinc/24/79/50/1131247950.db2.gz KERVATYIFYLMHB-UHFFFAOYSA-N 0 1 283.774 3.542 20 0 CHADMN CC(C)Oc1cc(CN2CC[C@H](C)C[C@@H]2C)c(F)cn1 ZINC001238802132 1131248994 /nfs/dbraw/zinc/24/89/94/1131248994.db2.gz HUGMVPREDFPHJO-STQMWFEESA-N 0 1 280.387 3.628 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(OC(C)C)ncc1F ZINC001238802659 1131250183 /nfs/dbraw/zinc/25/01/83/1131250183.db2.gz QUOLBBNNDOLNAD-AWEZNQCLSA-N 0 1 280.387 3.772 20 0 CHADMN CC=C(CC)C(=O)Nc1ccccc1Nc1ccncc1 ZINC000819580615 1131255343 /nfs/dbraw/zinc/25/53/43/1131255343.db2.gz ODPVDQMJQRTSDP-QLKAYGNNSA-N 0 1 281.359 3.542 20 0 CHADMN CCCCCc1cc(=O)n(-c2ccc(F)cc2F)[nH]1 ZINC001245945573 1131258295 /nfs/dbraw/zinc/25/82/95/1131258295.db2.gz YNMZPEMMKZDGMT-UHFFFAOYSA-N 0 1 266.291 3.589 20 0 CHADMN Cc1cc(CNc2ccccc2COC(C)(C)C)n[nH]1 ZINC001119614653 1131259764 /nfs/dbraw/zinc/25/97/64/1131259764.db2.gz HAVRRXZOUSYLAR-UHFFFAOYSA-N 0 1 273.380 3.645 20 0 CHADMN Cc1cccc([C@H]2CCCN2CC(=O)OC(C)(C)C)c1C ZINC000525634662 1124450675 /nfs/dbraw/zinc/45/06/75/1124450675.db2.gz JJRPBUHDFCAJIN-MRXNPFEDSA-N 0 1 289.419 3.782 20 0 CHADMN C[C@@H](c1nc(Cc2ccccc2)no1)N1C[C@H](C)C[C@H](C)C1 ZINC000525634290 1124451727 /nfs/dbraw/zinc/45/17/27/1124451727.db2.gz MNJNVWWVXIUARF-ZNMIVQPWSA-N 0 1 299.418 3.699 20 0 CHADMN C[C@H](c1nc(Cc2ccccc2)no1)N1C[C@H](C)C[C@H](C)C1 ZINC000525634288 1124451898 /nfs/dbraw/zinc/45/18/98/1124451898.db2.gz MNJNVWWVXIUARF-QLFBSQMISA-N 0 1 299.418 3.699 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Cl)c3c(c2)OCCO3)[C@H]1C ZINC000525634313 1124452029 /nfs/dbraw/zinc/45/20/29/1124452029.db2.gz NJLMCNPFUWDCFQ-NEPJUHHUSA-N 0 1 295.810 3.732 20 0 CHADMN COCCNC1(c2c(Cl)cccc2Cl)CCC1 ZINC000447378758 1124468389 /nfs/dbraw/zinc/46/83/89/1124468389.db2.gz ACRHEWKHZQECBN-UHFFFAOYSA-N 0 1 274.191 3.609 20 0 CHADMN CC(C)CCCNCc1cc(COC(C)(C)C)on1 ZINC000525867294 1124474622 /nfs/dbraw/zinc/47/46/22/1124474622.db2.gz LQAJBWKQNDHYEG-UHFFFAOYSA-N 0 1 268.401 3.516 20 0 CHADMN COCc1ccc(CN2Cc3ccccc3OC[C@H]2C)cc1 ZINC000339082091 1124482499 /nfs/dbraw/zinc/48/24/99/1124482499.db2.gz QANKEXKVHWAMFM-OAHLLOKOSA-N 0 1 297.398 3.616 20 0 CHADMN CCc1ncc(CN[C@H](C)c2cccc(N3CCCC3)c2)o1 ZINC001119777556 1131263631 /nfs/dbraw/zinc/26/36/31/1131263631.db2.gz SXIRELBRLVHYMK-CQSZACIVSA-N 0 1 299.418 3.688 20 0 CHADMN COc1ccc(F)cc1-c1cncc(CN2CC=CCC2)c1 ZINC001119776845 1131263764 /nfs/dbraw/zinc/26/37/64/1131263764.db2.gz ODWUGBZVPHOWDM-UHFFFAOYSA-N 0 1 298.361 3.658 20 0 CHADMN C[C@@H](CCN(C)CC(=O)Nc1ccccc1)c1ccccc1 ZINC000447733965 1124517613 /nfs/dbraw/zinc/51/76/13/1124517613.db2.gz RNMVOUUCGNTUJI-INIZCTEOSA-N 0 1 296.414 3.751 20 0 CHADMN C[C@H]1C[C@H](C)N1C(=O)c1cc(Cl)c2ccccc2c1O ZINC000526931561 1124529288 /nfs/dbraw/zinc/52/92/88/1124529288.db2.gz QFTNLFYMYTZCGS-UWVGGRQHSA-N 0 1 289.762 3.822 20 0 CHADMN CC[C@@H](O)[C@@H]1CCCCN1Cc1ccc(Cl)c(F)c1 ZINC000526942109 1124531722 /nfs/dbraw/zinc/53/17/22/1124531722.db2.gz KCAXBSBXZJKQSI-LSDHHAIUSA-N 0 1 285.790 3.605 20 0 CHADMN COCCN(CCCC1CCCC1)Cc1cncs1 ZINC000447846851 1124531993 /nfs/dbraw/zinc/53/19/93/1124531993.db2.gz XSOIXTPDRWDWJN-UHFFFAOYSA-N 0 1 282.453 3.562 20 0 CHADMN CN(Cc1ccc[nH]1)Cc1ccc(C(F)F)cc1 ZINC000526971022 1124533742 /nfs/dbraw/zinc/53/37/42/1124533742.db2.gz LOVXGCVBUQXZSN-UHFFFAOYSA-N 0 1 250.292 3.584 20 0 CHADMN COc1ccc([C@H](C)[C@H](C)Nc2ccc3nn[nH]c3c2)cc1 ZINC000526988834 1124538614 /nfs/dbraw/zinc/53/86/14/1124538614.db2.gz LESJTAFTSZKFPJ-NEPJUHHUSA-N 0 1 296.374 3.571 20 0 CHADMN COc1ccc([C@H](C)[C@H](C)Nc2ccc3n[nH]nc3c2)cc1 ZINC000526988834 1124538621 /nfs/dbraw/zinc/53/86/21/1124538621.db2.gz LESJTAFTSZKFPJ-NEPJUHHUSA-N 0 1 296.374 3.571 20 0 CHADMN CC1(C)C[C@@H](c2ccccc2)N(CN2C(=O)CC23CCC3)C1 ZINC000819901064 1131267015 /nfs/dbraw/zinc/26/70/15/1131267015.db2.gz QJMYKSAUPFVIRC-INIZCTEOSA-N 0 1 298.430 3.572 20 0 CHADMN CCc1ccc(CNCc2ccc(C)c(C)n2)s1 ZINC000314802780 1124563633 /nfs/dbraw/zinc/56/36/33/1124563633.db2.gz OGQHBDCWTJQDAD-UHFFFAOYSA-N 0 1 260.406 3.612 20 0 CHADMN CN(CCCC1CCCC1)Cc1cn2c(n1)CCCC2 ZINC000429554158 1124580668 /nfs/dbraw/zinc/58/06/68/1124580668.db2.gz IXWBGEUHVNHHRP-UHFFFAOYSA-N 0 1 275.440 3.622 20 0 CHADMN Cc1cc(-c2cncc3cc[nH]c32)cnc1OCC(C)C ZINC001238923455 1131270234 /nfs/dbraw/zinc/27/02/34/1131270234.db2.gz JYXPIUFEHNSRCR-UHFFFAOYSA-N 0 1 281.359 3.968 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CC[C@H](CC(C)(C)C)C1 ZINC000448555018 1124586369 /nfs/dbraw/zinc/58/63/69/1124586369.db2.gz PFTDUSHNRLKAGU-VXGBXAGGSA-N 0 1 277.412 3.766 20 0 CHADMN Cc1nc2ccc(NC(=O)C3(C(F)(F)F)CCC3)cc2[nH]1 ZINC000448625403 1124600247 /nfs/dbraw/zinc/60/02/47/1124600247.db2.gz NWAQCDDDIOEGFN-UHFFFAOYSA-N 0 1 297.280 3.542 20 0 CHADMN CCCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(C)(C)C ZINC000820023024 1131272130 /nfs/dbraw/zinc/27/21/30/1131272130.db2.gz MONKAZLIDVWBPC-NFAWXSAZSA-N 0 1 291.439 3.624 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000871621963 1124620492 /nfs/dbraw/zinc/62/04/92/1124620492.db2.gz UREAVJLQPUGDHY-XHSDSOJGSA-N 0 1 279.424 3.556 20 0 CHADMN Cc1cccc(CCN2CCO[C@@H](c3cccs3)C2)c1 ZINC000449014911 1124629646 /nfs/dbraw/zinc/62/96/46/1124629646.db2.gz ASXFMQKZOZJGMO-MRXNPFEDSA-N 0 1 287.428 3.673 20 0 CHADMN CN(CCC1CCCCC1)Cc1ccncc1F ZINC000449015246 1124629860 /nfs/dbraw/zinc/62/98/60/1124629860.db2.gz DAWDBXKVOOBKMG-UHFFFAOYSA-N 0 1 250.361 3.623 20 0 CHADMN CCn1nnc(C)c1C[N@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000449028925 1124634257 /nfs/dbraw/zinc/63/42/57/1124634257.db2.gz NAHAWPWNAGZEKI-QGZVFWFLSA-N 0 1 298.434 3.560 20 0 CHADMN CCn1nnc(C)c1C[N@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000449035471 1124636181 /nfs/dbraw/zinc/63/61/81/1124636181.db2.gz OLMCXYIECQMJBI-KRWDZBQOSA-N 0 1 298.434 3.642 20 0 CHADMN CCn1nnc(C)c1CN1CCCC[C@H]1c1ccc(C)cc1 ZINC000449035471 1124636182 /nfs/dbraw/zinc/63/61/82/1124636182.db2.gz OLMCXYIECQMJBI-KRWDZBQOSA-N 0 1 298.434 3.642 20 0 CHADMN C[C@@H]1CN(Cc2ccncc2F)CC[C@@H]1c1ccccc1 ZINC000449025385 1124639074 /nfs/dbraw/zinc/63/90/74/1124639074.db2.gz BIPGRHXKLOPHFM-PBHICJAKSA-N 0 1 284.378 3.846 20 0 CHADMN Cc1ccccc1[C@H](N)C(=O)Nc1cccc2c1CCCC2 ZINC000449080870 1124646709 /nfs/dbraw/zinc/64/67/09/1124646709.db2.gz ZXOWIFVAORMZTD-SFHVURJKSA-N 0 1 294.398 3.512 20 0 CHADMN CCN(C/C=C(/C)Cl)[C@H](C)c1cccc(O)c1 ZINC000528397399 1124653158 /nfs/dbraw/zinc/65/31/58/1124653158.db2.gz KPDANUUSUJTUES-NXIHDVOMSA-N 0 1 253.773 3.918 20 0 CHADMN Cc1[nH]n(-c2cccc3ccccc32)c(=O)c1C1CC1 ZINC000871946548 1124653969 /nfs/dbraw/zinc/65/39/69/1124653969.db2.gz FEJHTZRLSRWHBA-INIZCTEOSA-N 0 1 264.328 3.589 20 0 CHADMN C[C@H]1CCCCCN1Cc1cccnc1C(F)(F)F ZINC000528381609 1124654360 /nfs/dbraw/zinc/65/43/60/1124654360.db2.gz NFPXZYJZMCZQRV-NSHDSACASA-N 0 1 272.314 3.865 20 0 CHADMN CC1(C)CC[C@H]2C(=O)N(c3ccnc4ccccc43)N=C2C1 ZINC000871951267 1124654794 /nfs/dbraw/zinc/65/47/94/1124654794.db2.gz ODKMNAHKXGWLII-CYBMUJFWSA-N 0 1 293.370 3.764 20 0 CHADMN CC1(C)CCc2c([nH]n(-c3ccnc4ccccc43)c2=O)C1 ZINC000871951267 1124654797 /nfs/dbraw/zinc/65/47/97/1124654797.db2.gz ODKMNAHKXGWLII-CYBMUJFWSA-N 0 1 293.370 3.764 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc(O)c1F)c1ccccc1 ZINC000872017314 1124657109 /nfs/dbraw/zinc/65/71/09/1124657109.db2.gz ZEBGQGATFPVGAT-RYUDHWBXSA-N 0 1 259.324 3.943 20 0 CHADMN CO[C@H](CN[C@@H](C)c1cc(O)ccc1F)c1ccccc1 ZINC000872024107 1124659365 /nfs/dbraw/zinc/65/93/65/1124659365.db2.gz NENYFMXUDUVAPR-YVEFUNNKSA-N 0 1 289.350 3.570 20 0 CHADMN Cc1ccsc1CN[C@@H](C)c1cc(O)ccc1F ZINC000872028390 1124660414 /nfs/dbraw/zinc/66/04/14/1124660414.db2.gz QMEHODBJADXDIG-JTQLQIEISA-N 0 1 265.353 3.752 20 0 CHADMN C/C(Cl)=C\CN(C)[C@H]1CCCc2nc(C)sc21 ZINC000528420483 1124661031 /nfs/dbraw/zinc/66/10/31/1124661031.db2.gz VKHFGKTWKTYUFJ-CRALRDPISA-N 0 1 270.829 3.903 20 0 CHADMN C/C(Cl)=C/CNC1(c2nc(C)cs2)CCCC1 ZINC000528425186 1124662907 /nfs/dbraw/zinc/66/29/07/1124662907.db2.gz VNYZFHYZFGRMQB-YHYXMXQVSA-N 0 1 270.829 3.953 20 0 CHADMN CN(Cc1ncccc1Cl)C[C@H]1CC=CCC1 ZINC000528443432 1124664102 /nfs/dbraw/zinc/66/41/02/1124664102.db2.gz PRWAIDPBBFRQRC-LBPRGKRZSA-N 0 1 250.773 3.523 20 0 CHADMN C/C(Cl)=C\CN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000528459733 1124669520 /nfs/dbraw/zinc/66/95/20/1124669520.db2.gz UNRCJFXLLCNVQK-UDYBNVKDSA-N 0 1 277.795 3.651 20 0 CHADMN C/C(Cl)=C/CN1CCC[C@]2(C1)OCc1ccccc12 ZINC000528459735 1124669784 /nfs/dbraw/zinc/66/97/84/1124669784.db2.gz UNRCJFXLLCNVQK-VXXVJXPCSA-N 0 1 277.795 3.651 20 0 CHADMN CC[C@H](Nc1ccc(CN(C)C)c(F)c1)[C@@H]1CCCOC1 ZINC000872060362 1124670426 /nfs/dbraw/zinc/67/04/26/1124670426.db2.gz PYOGUWYMUOTRMO-PBHICJAKSA-N 0 1 294.414 3.504 20 0 CHADMN c1cc(CN[C@H](c2cccnc2)C2CC2)n(C2CCCC2)n1 ZINC000449200286 1124671829 /nfs/dbraw/zinc/67/18/29/1124671829.db2.gz BOHJNLLVLNHIAH-SFHVURJKSA-N 0 1 296.418 3.634 20 0 CHADMN C[C@H](NC[C@@]1(C)CC1(Cl)Cl)c1cc(O)ccc1F ZINC000872076914 1124676566 /nfs/dbraw/zinc/67/65/66/1124676566.db2.gz VKDLWHBREAEPST-QPUJVOFHSA-N 0 1 292.181 3.766 20 0 CHADMN C[C@@H]1CC(C)(C)CN1Cc1cccnc1C(F)(F)F ZINC000528518564 1124681945 /nfs/dbraw/zinc/68/19/45/1124681945.db2.gz DQYYFANDBWJMRD-SNVBAGLBSA-N 0 1 272.314 3.721 20 0 CHADMN C[C@H](Cc1cccc(F)c1)N(C)Cc1ncccc1Cl ZINC000528522686 1124682561 /nfs/dbraw/zinc/68/25/61/1124682561.db2.gz UPNYKZYQIPBGEP-GFCCVEGCSA-N 0 1 292.785 3.937 20 0 CHADMN COc1ccccc1CN(C)Cc1c[nH]c2c1cccc2F ZINC001137056439 1124683106 /nfs/dbraw/zinc/68/31/06/1124683106.db2.gz UYVQBNUZXYOMGS-UHFFFAOYSA-N 0 1 298.361 3.948 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@@H]2CC(C)(C)CO2)cs1 ZINC000872105983 1124683945 /nfs/dbraw/zinc/68/39/45/1124683945.db2.gz NXUOKLZXZDRARB-RYUDHWBXSA-N 0 1 282.453 3.732 20 0 CHADMN COc1cc(F)cc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000449295911 1124685861 /nfs/dbraw/zinc/68/58/61/1124685861.db2.gz WAWONKYQFNZTDQ-NOZJJQNGSA-N 0 1 291.288 3.607 20 0 CHADMN C[C@@H]1CSC[C@H]1Nc1ccc(Cl)c(CN(C)C)c1 ZINC000449302466 1124686757 /nfs/dbraw/zinc/68/67/57/1124686757.db2.gz KAJUZMGZMXJZSN-QMTHXVAHSA-N 0 1 284.856 3.565 20 0 CHADMN c1cc([C@@H]2CCCCN2Cc2cccc3ccoc32)n[nH]1 ZINC000449313960 1124692130 /nfs/dbraw/zinc/69/21/30/1124692130.db2.gz BHCSUAYZHOUZDS-INIZCTEOSA-N 0 1 281.359 3.883 20 0 CHADMN Cc1cccc(CN2CCC[C@H]2c2cccnc2)c1F ZINC000449318565 1124692171 /nfs/dbraw/zinc/69/21/71/1124692171.db2.gz HCXNNULLNZYOAB-INIZCTEOSA-N 0 1 270.351 3.866 20 0 CHADMN CCc1nnc(CN[C@@H]2CC[C@@H](CCC(C)C)C2)s1 ZINC000449338883 1124693022 /nfs/dbraw/zinc/69/30/22/1124693022.db2.gz SVLMBGPNQCAKSY-CHWSQXEVSA-N 0 1 281.469 3.795 20 0 CHADMN CCc1nnc(CN[C@@H]2CC[C@H](CCC(C)C)C2)s1 ZINC000449338889 1124693522 /nfs/dbraw/zinc/69/35/22/1124693522.db2.gz SVLMBGPNQCAKSY-QWHCGFSZSA-N 0 1 281.469 3.795 20 0 CHADMN COCCC1CCN([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000528578364 1124695085 /nfs/dbraw/zinc/69/50/85/1124695085.db2.gz WJZDXAGKOQKCNZ-ZDUSSCGKSA-N 0 1 288.391 3.637 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])cs2)[C@H]2CCCC[C@@H]12 ZINC000872157139 1124695955 /nfs/dbraw/zinc/69/59/55/1124695955.db2.gz LPJWNDDAVHPPRU-UGFHNGPFSA-N 0 1 293.432 3.847 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000872159610 1124696503 /nfs/dbraw/zinc/69/65/03/1124696503.db2.gz KYFHUPRKMSUQIB-INIZCTEOSA-N 0 1 297.398 3.753 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC000872161060 1124697323 /nfs/dbraw/zinc/69/73/23/1124697323.db2.gz OYLOHBOWPLOZCD-ZZKXABKFSA-N 0 1 279.405 3.625 20 0 CHADMN C[C@H](NCc1ccncc1F)c1cccc(C2CC2)c1 ZINC000449351071 1124697927 /nfs/dbraw/zinc/69/79/27/1124697927.db2.gz OFRJIIWDBZPUGF-LBPRGKRZSA-N 0 1 270.351 3.949 20 0 CHADMN CC(C)[C@@H](N)c1noc(C2CC(c3ccc(F)cc3)C2)n1 ZINC000872170037 1124698258 /nfs/dbraw/zinc/69/82/58/1124698258.db2.gz BGICBHMQMXVKSW-ORHYLEIMSA-N 0 1 289.354 3.526 20 0 CHADMN CC[C@H](N[C@@H](C)[C@H](C)c1ccc(OC)cc1)C(F)F ZINC000449366687 1124700878 /nfs/dbraw/zinc/70/08/78/1124700878.db2.gz ZVJSXDKOBLCFCC-MJVIPROJSA-N 0 1 271.351 3.821 20 0 CHADMN FCC(CF)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449377667 1124701340 /nfs/dbraw/zinc/70/13/40/1124701340.db2.gz BGSLKZSBGDPOSD-AAEUAGOBSA-N 0 1 273.754 3.873 20 0 CHADMN CCc1cc(CN2CCC[C@@H]2c2cccc(C)c2)on1 ZINC001203212540 1124708611 /nfs/dbraw/zinc/70/86/11/1124708611.db2.gz OVBPIDOOJDDSSA-QGZVFWFLSA-N 0 1 270.376 3.883 20 0 CHADMN Cc1cc(CN2CCC[C@](C)(F)C2)c2ccccc2n1 ZINC000449353313 1124708626 /nfs/dbraw/zinc/70/86/26/1124708626.db2.gz ZXVPYUIKCLUDDV-KRWDZBQOSA-N 0 1 272.367 3.867 20 0 CHADMN COC[C@@]1(C)CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000449392345 1124712316 /nfs/dbraw/zinc/71/23/16/1124712316.db2.gz JWMMZJALOZPBPJ-AWEZNQCLSA-N 0 1 288.218 3.852 20 0 CHADMN COC[C@@]1(C)CCN(Cc2cscc2C(F)(F)F)C1 ZINC000449398316 1124714473 /nfs/dbraw/zinc/71/44/73/1124714473.db2.gz XRRIUQJJAICBGW-LBPRGKRZSA-N 0 1 293.354 3.625 20 0 CHADMN CCCN1Cc2cccc(NC(=O)C(C)=C3CCC3)c2C1 ZINC000825653024 1124737445 /nfs/dbraw/zinc/73/74/45/1124737445.db2.gz VKNUZNCXIPPCRD-UHFFFAOYSA-N 0 1 284.403 3.851 20 0 CHADMN Cc1cc(Cl)ccc1CN[C@@H](C)c1nccnc1C ZINC000873187168 1124746452 /nfs/dbraw/zinc/74/64/52/1124746452.db2.gz MROZLCPDMBRLEY-LBPRGKRZSA-N 0 1 275.783 3.598 20 0 CHADMN CCCc1ccc(CN[C@H](C)c2nccnc2C)s1 ZINC000873186565 1124746924 /nfs/dbraw/zinc/74/69/24/1124746924.db2.gz RKSURBXJYUYZBP-GFCCVEGCSA-N 0 1 275.421 3.650 20 0 CHADMN COc1ccccc1CN1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000449460513 1124747067 /nfs/dbraw/zinc/74/70/67/1124747067.db2.gz NNTUINDPLYIGNF-AAEUAGOBSA-N 0 1 287.325 3.858 20 0 CHADMN Cc1ccncc1CN[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000873185984 1124747314 /nfs/dbraw/zinc/74/73/14/1124747314.db2.gz YPEKBEJDVCDPAY-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1cc(N)cc(F)c1 ZINC000873287782 1124759286 /nfs/dbraw/zinc/75/92/86/1124759286.db2.gz KOXLLXADAJOCFX-LBPRGKRZSA-N 0 1 288.366 3.657 20 0 CHADMN CC[C@@H](NCc1cc(N)cc(F)c1)c1ccccc1F ZINC000873289408 1124761239 /nfs/dbraw/zinc/76/12/39/1124761239.db2.gz UJSALDGLTZOHIE-MRXNPFEDSA-N 0 1 276.330 3.788 20 0 CHADMN CCO[C@@H]1CCN(Cc2ccc(Cl)s2)C[C@H]1C ZINC000449493427 1124761635 /nfs/dbraw/zinc/76/16/35/1124761635.db2.gz LFUJYGGSEBKKJK-ZYHUDNBSSA-N 0 1 273.829 3.648 20 0 CHADMN CC[C@H](NCc1cc(N)cc(F)c1)c1ccc(F)cc1F ZINC000873287826 1124761633 /nfs/dbraw/zinc/76/16/33/1124761633.db2.gz LZHODUDUVPNLOH-INIZCTEOSA-N 0 1 294.320 3.927 20 0 CHADMN CCN(Cc1ccc(N2CCCC2)o1)Cc1cccs1 ZINC001137070895 1124762049 /nfs/dbraw/zinc/76/20/49/1124762049.db2.gz WIVLLHIBSASOGO-UHFFFAOYSA-N 0 1 290.432 3.963 20 0 CHADMN CC[C@@H](NCc1cc(N)cc(F)c1)c1cc(F)ccc1F ZINC000873288180 1124762880 /nfs/dbraw/zinc/76/28/80/1124762880.db2.gz XCTMKXCLXVNMNR-MRXNPFEDSA-N 0 1 294.320 3.927 20 0 CHADMN COc1cccc(-c2cc3nc[nH]c3c(C)c2)c1C ZINC001238982274 1131285920 /nfs/dbraw/zinc/28/59/20/1131285920.db2.gz DNSVCMXKEJSRTB-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN CC=C(C=CC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1)CC ZINC000820465595 1131290289 /nfs/dbraw/zinc/29/02/89/1131290289.db2.gz NPQCJGPJXROHJS-ILIPMWHGSA-N 0 1 297.358 3.633 20 0 CHADMN CC(C)C[C@H](C)OC(=O)NC[C@H](c1cccs1)N(C)C ZINC000820767363 1131301758 /nfs/dbraw/zinc/30/17/58/1131301758.db2.gz AOKDQUFALZLFQX-QWHCGFSZSA-N 0 1 298.452 3.512 20 0 CHADMN Cc1ncccc1CN1CC(c2ccc(Cl)cc2)C1 ZINC000449556092 1124800499 /nfs/dbraw/zinc/80/04/99/1124800499.db2.gz KNVBSRLEXHVRQA-UHFFFAOYSA-N 0 1 272.779 3.643 20 0 CHADMN COCc1ccc(CN2CC(c3ccc(Cl)cc3)C2)o1 ZINC000449558166 1124801554 /nfs/dbraw/zinc/80/15/54/1124801554.db2.gz WDHNSISSTXSIBZ-UHFFFAOYSA-N 0 1 291.778 3.679 20 0 CHADMN CCn1ccnc1[C@@H](C)NC/C=C\c1ccc(F)cc1F ZINC000449562114 1124802849 /nfs/dbraw/zinc/80/28/49/1124802849.db2.gz HBOWZHRBCNCDEK-QMAVJUDZSA-N 0 1 291.345 3.545 20 0 CHADMN CC[C@H](N[C@@H](C)c1nc(C)cc(=O)[nH]1)c1cc(C)ccc1C ZINC000528796317 1124809746 /nfs/dbraw/zinc/80/97/46/1124809746.db2.gz CKAGTQDIKOOINR-HOCLYGCPSA-N 0 1 299.418 3.909 20 0 CHADMN CC1(C)CCN(CCCC2CCCCC2)CC[S@@]1=O ZINC000449576720 1124810237 /nfs/dbraw/zinc/81/02/37/1124810237.db2.gz UVMQPLOYWBDPCL-IBGZPJMESA-N 0 1 285.497 3.580 20 0 CHADMN COc1c(C)cnc(CNCc2ccc(Cl)cc2)c1C ZINC000020210141 1124813257 /nfs/dbraw/zinc/81/32/57/1124813257.db2.gz RBDLQUBXDZSHBV-UHFFFAOYSA-N 0 1 290.794 3.650 20 0 CHADMN CCCc1ncc(CN[C@H]2c3cc(C)ccc3C[C@@H]2C)o1 ZINC000449610511 1124816172 /nfs/dbraw/zinc/81/61/72/1124816172.db2.gz GZBMOWRDHCAFFG-SCLBCKFNSA-N 0 1 284.403 3.959 20 0 CHADMN CC1(C)COC[C@@H]1NCc1ccc(F)c(Cl)c1Cl ZINC000449627095 1124824511 /nfs/dbraw/zinc/82/45/11/1124824511.db2.gz YIHUGZLZNGDKQZ-JTQLQIEISA-N 0 1 292.181 3.647 20 0 CHADMN Cc1cnn(C)c1CN1CCC[C@H]1c1ccc(F)cc1C ZINC000449731115 1124848521 /nfs/dbraw/zinc/84/85/21/1124848521.db2.gz HBXAOHRSXJDAEO-INIZCTEOSA-N 0 1 287.382 3.513 20 0 CHADMN CSCCCCC(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC000874691987 1124852769 /nfs/dbraw/zinc/85/27/69/1124852769.db2.gz OXXVCQLBTMPHKW-UHFFFAOYSA-N 0 1 297.811 3.688 20 0 CHADMN Oc1cccc(C[N@H+]2CCC[C@]3(CCSC3)C2)c1Cl ZINC000449735422 1124854622 /nfs/dbraw/zinc/85/46/22/1124854622.db2.gz UGEKTDMFKTWVBO-HNNXBMFYSA-N 0 1 297.851 3.765 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c1Cl ZINC000449735422 1124854635 /nfs/dbraw/zinc/85/46/35/1124854635.db2.gz UGEKTDMFKTWVBO-HNNXBMFYSA-N 0 1 297.851 3.765 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@]3(CCSC3)C2)c1Cl ZINC000449735422 1124854645 /nfs/dbraw/zinc/85/46/45/1124854645.db2.gz UGEKTDMFKTWVBO-HNNXBMFYSA-N 0 1 297.851 3.765 20 0 CHADMN COC[C@@H]1CCCCN1Cc1cnc(C2CCCC2)s1 ZINC000449759205 1124860170 /nfs/dbraw/zinc/86/01/70/1124860170.db2.gz IUFUZWCVPNZRPN-AWEZNQCLSA-N 0 1 294.464 3.802 20 0 CHADMN C=C/C=C\CC[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001168113212 1124875759 /nfs/dbraw/zinc/87/57/59/1124875759.db2.gz LESDZAXBWIMCOA-LTIZXKLPSA-N 0 1 263.406 3.642 20 0 CHADMN C=C/C=C\CCN1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001168113212 1124875765 /nfs/dbraw/zinc/87/57/65/1124875765.db2.gz LESDZAXBWIMCOA-LTIZXKLPSA-N 0 1 263.406 3.642 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@@H]1CCCC12CC2 ZINC000529052040 1124882006 /nfs/dbraw/zinc/88/20/06/1124882006.db2.gz CSYVAKTYBIVSDR-VIFPVBQESA-N 0 1 283.730 3.704 20 0 CHADMN Cc1ccc2nc(CNC(=O)[C@@H]3CC[C@@H](C)[C@@H](C)C3)[nH]c2c1 ZINC000450011050 1124913602 /nfs/dbraw/zinc/91/36/02/1124913602.db2.gz UICVHPSXMHJYSL-HZSPNIEDSA-N 0 1 299.418 3.560 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1ccncc1C ZINC000228662410 1124929400 /nfs/dbraw/zinc/92/94/00/1124929400.db2.gz XJBUSKGIFGHQLP-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CC(=O)c1cccc(CN(C)CCOc2ccccc2C)c1 ZINC000450211397 1124944622 /nfs/dbraw/zinc/94/46/22/1124944622.db2.gz PQULFJUXVWDUOR-UHFFFAOYSA-N 0 1 297.398 3.708 20 0 CHADMN C[C@@H]1CCCCN1Cc1ccn(CCc2ccccc2)n1 ZINC000450241270 1124952565 /nfs/dbraw/zinc/95/25/65/1124952565.db2.gz GFXUINPEOWFMMJ-MRXNPFEDSA-N 0 1 283.419 3.500 20 0 CHADMN C[C@H]1CCCCN1Cc1ccn(CCc2ccccc2)n1 ZINC000450241269 1124952608 /nfs/dbraw/zinc/95/26/08/1124952608.db2.gz GFXUINPEOWFMMJ-INIZCTEOSA-N 0 1 283.419 3.500 20 0 CHADMN CC(=O)c1cccc(CN(C)CCOc2ccc(C)cc2)c1 ZINC000450235290 1124954064 /nfs/dbraw/zinc/95/40/64/1124954064.db2.gz XGWIWDQNTLAURA-UHFFFAOYSA-N 0 1 297.398 3.708 20 0 CHADMN F[C@@H]1CCCC[C@@H]1N[C@H]1CCc2ccc(Cl)nc21 ZINC000876500931 1124956973 /nfs/dbraw/zinc/95/69/73/1124956973.db2.gz WRMSRAKREMPOAO-WOPDTQHZSA-N 0 1 268.763 3.593 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CCc2cccs2)CCO1 ZINC000126080563 1124966730 /nfs/dbraw/zinc/96/67/30/1124966730.db2.gz BDBHIBJQPJKJOU-KRWDZBQOSA-N 0 1 287.428 3.673 20 0 CHADMN Clc1csc(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)n1 ZINC000876634838 1124967084 /nfs/dbraw/zinc/96/70/84/1124967084.db2.gz DGILINIHOXRVCW-ZYANWLCNSA-N 0 1 282.840 3.807 20 0 CHADMN CCN(Cc1nnc(C(C)C)s1)[C@H](C)C(C)C ZINC000450299759 1124972815 /nfs/dbraw/zinc/97/28/15/1124972815.db2.gz QIVCVVUJHBTYIP-LLVKDONJSA-N 0 1 255.431 3.528 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1ccc(Cl)nn1 ZINC000876770962 1124976878 /nfs/dbraw/zinc/97/68/78/1124976878.db2.gz LDXHFRVWYGIWAW-IUODEOHRSA-N 0 1 287.794 3.508 20 0 CHADMN Cc1cccc2nc(CNC(=O)[C@@H]3CC[C@@H](C)[C@H](C)C3)[nH]c21 ZINC000450313050 1124977103 /nfs/dbraw/zinc/97/71/03/1124977103.db2.gz ONXPPCOAGRLSNJ-MRVWCRGKSA-N 0 1 299.418 3.560 20 0 CHADMN CCN(c1ccc(NCc2ncc(C)o2)cc1)C(C)C ZINC000876820935 1124981155 /nfs/dbraw/zinc/98/11/55/1124981155.db2.gz WOTNEBCOERWTDB-UHFFFAOYSA-N 0 1 273.380 3.830 20 0 CHADMN c1cc2ccc(CN3CCO[C@H](c4ccccc4)C3)cc2[nH]1 ZINC000529522653 1124984373 /nfs/dbraw/zinc/98/43/73/1124984373.db2.gz XGPGEQVNOJDKJV-IBGZPJMESA-N 0 1 292.382 3.741 20 0 CHADMN c1csc(N2CCN(Cc3ccc4cc[nH]c4c3)CC2)c1 ZINC000529527349 1124986534 /nfs/dbraw/zinc/98/65/34/1124986534.db2.gz CZRPVMPUFWOUMV-UHFFFAOYSA-N 0 1 297.427 3.552 20 0 CHADMN c1c(CNCCSCc2ccccc2)onc1C1CC1 ZINC000876885457 1124987364 /nfs/dbraw/zinc/98/73/64/1124987364.db2.gz WTZIDXYVIIZSPF-UHFFFAOYSA-N 0 1 288.416 3.575 20 0 CHADMN COc1cnc(F)c(CN[C@H](c2ccccc2)C(C)C)c1 ZINC000876909169 1124990016 /nfs/dbraw/zinc/99/00/16/1124990016.db2.gz XFGGZJMRTCQQQM-INIZCTEOSA-N 0 1 288.366 3.716 20 0 CHADMN COc1cnc(F)c(CN[C@H](c2cccs2)C2CC2)c1 ZINC000876908577 1124990414 /nfs/dbraw/zinc/99/04/14/1124990414.db2.gz OJIKEWLINREPAZ-AWEZNQCLSA-N 0 1 292.379 3.532 20 0 CHADMN C(c1nnc(C2CC2)s1)N(CC1CC1)C1CCCCC1 ZINC000450351946 1124995365 /nfs/dbraw/zinc/99/53/65/1124995365.db2.gz UTODSQDDXOQDHV-UHFFFAOYSA-N 0 1 291.464 3.960 20 0 CHADMN Clc1csc(CNCCc2ccccc2Cl)n1 ZINC000876990058 1124995395 /nfs/dbraw/zinc/99/53/95/1124995395.db2.gz OJIFDVYVXHSWHE-UHFFFAOYSA-N 0 1 287.215 3.782 20 0 CHADMN Cc1cc(CNC(C)(C)c2ccc(F)cc2)sn1 ZINC000877007375 1124996769 /nfs/dbraw/zinc/99/67/69/1124996769.db2.gz NSRKYFGQASWSHF-UHFFFAOYSA-N 0 1 264.369 3.616 20 0 CHADMN Cc1ccccc1O[C@H](C)CNCc1nc(Cl)cs1 ZINC000877063203 1125002984 /nfs/dbraw/zinc/00/29/84/1125002984.db2.gz GGRWTMBMFJDWHA-LLVKDONJSA-N 0 1 296.823 3.662 20 0 CHADMN Cc1ccccc1O[C@@H](C)CNCc1nc(Cl)cs1 ZINC000877063204 1125003864 /nfs/dbraw/zinc/00/38/64/1125003864.db2.gz GGRWTMBMFJDWHA-NSHDSACASA-N 0 1 296.823 3.662 20 0 CHADMN COC[C@@]1(C)CCN(Cc2ccsc2C(F)(F)F)C1 ZINC000529590122 1125008267 /nfs/dbraw/zinc/00/82/67/1125008267.db2.gz ZFSPQZKSZVZFDA-LBPRGKRZSA-N 0 1 293.354 3.625 20 0 CHADMN Cc1cccc([C@H](NC[C@@H]2CCCCO2)c2ccccn2)c1 ZINC000877123301 1125012263 /nfs/dbraw/zinc/01/22/63/1125012263.db2.gz JJNVLCRIVMJJJS-HKUYNNGSSA-N 0 1 296.414 3.638 20 0 CHADMN CSC(C)(C)CCN[C@H](c1nc(C2CC2)no1)C(C)C ZINC000877150673 1125015499 /nfs/dbraw/zinc/01/54/99/1125015499.db2.gz ZGMXUOUZOPWXLX-LBPRGKRZSA-N 0 1 297.468 3.765 20 0 CHADMN Cc1cc(CC(=O)Nc2cccc(C3CCCCC3)c2)n[nH]1 ZINC000529648235 1125031163 /nfs/dbraw/zinc/03/11/63/1125031163.db2.gz CTDVXUIXAZAGQJ-UHFFFAOYSA-N 0 1 297.402 3.947 20 0 CHADMN CN(Cc1cc(Cl)cn1C)C[C@@H]1CCCCC1(F)F ZINC000450485553 1125043932 /nfs/dbraw/zinc/04/39/32/1125043932.db2.gz PTHONRMMYKYMJO-NSHDSACASA-N 0 1 290.785 3.936 20 0 CHADMN c1nnsc1CN1CCC[C@H]1CCC1CCCCC1 ZINC000450503621 1125045588 /nfs/dbraw/zinc/04/55/88/1125045588.db2.gz VXCWHJFWTONKQG-AWEZNQCLSA-N 0 1 279.453 3.863 20 0 CHADMN Cc1ccc(C2(NCc3ccc(Cl)nn3)CCC2)cc1 ZINC000877607881 1125052060 /nfs/dbraw/zinc/05/20/60/1125052060.db2.gz NNOWFHZCFQJUCS-UHFFFAOYSA-N 0 1 287.794 3.607 20 0 CHADMN FC1(F)CC[C@H](CN2CCc3[nH]c4ccccc4c3C2)C1 ZINC000450553536 1125055846 /nfs/dbraw/zinc/05/58/46/1125055846.db2.gz JDVFGZHYLODIFI-LBPRGKRZSA-N 0 1 290.357 3.961 20 0 CHADMN Cc1ncc([C@H](C)NCc2cncc3ccccc32)s1 ZINC000877685003 1125063059 /nfs/dbraw/zinc/06/30/59/1125063059.db2.gz HQWUYWUOSQMXFB-NSHDSACASA-N 0 1 283.400 3.851 20 0 CHADMN CC(F)(F)CCSc1nc(-c2ccccc2F)n[nH]1 ZINC000450593177 1125066524 /nfs/dbraw/zinc/06/65/24/1125066524.db2.gz BDFXQFZVGBYVFX-UHFFFAOYSA-N 0 1 287.310 3.748 20 0 CHADMN COc1cc(CN(C)[C@@H](C)c2ccncc2)ccc1Cl ZINC000450629340 1125070129 /nfs/dbraw/zinc/07/01/29/1125070129.db2.gz NXMKHXHTPHBBGY-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN Cc1c(F)nccc1CN[C@@H](C)c1cc2cnccc2o1 ZINC000877767972 1125078265 /nfs/dbraw/zinc/07/82/65/1125078265.db2.gz FTWUMUCWNKFGNA-NSHDSACASA-N 0 1 285.322 3.521 20 0 CHADMN CCC(=O)CCCN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000450656632 1125081074 /nfs/dbraw/zinc/08/10/74/1125081074.db2.gz VVYGKQDFCMAXBZ-STQMWFEESA-N 0 1 277.383 3.893 20 0 CHADMN Cc1scc(CN2CCO[C@H](C(F)(F)F)CC2)c1C ZINC000877820833 1125087360 /nfs/dbraw/zinc/08/73/60/1125087360.db2.gz IFVYKACQCRWWJB-LBPRGKRZSA-N 0 1 293.354 3.518 20 0 CHADMN O=C(NCC[C@@H]1CC=CCC1)c1ccc(O)c(Cl)c1 ZINC000529872096 1125087966 /nfs/dbraw/zinc/08/79/66/1125087966.db2.gz RVNPKTGYCXSUSU-LLVKDONJSA-N 0 1 279.767 3.522 20 0 CHADMN Cc1ccsc1CN1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000877822489 1125088096 /nfs/dbraw/zinc/08/80/96/1125088096.db2.gz GZOROVQMIOQDBK-JQWIXIFHSA-N 0 1 293.354 3.598 20 0 CHADMN CCc1nnc(SCC/C=C\c2ccccc2)[nH]1 ZINC000450775433 1125105430 /nfs/dbraw/zinc/10/54/30/1125105430.db2.gz KPEUNOPDTCNCEK-POHAHGRESA-N 0 1 259.378 3.563 20 0 CHADMN CCc1n[nH]c(SCC/C=C\c2ccccc2)n1 ZINC000450775433 1125105432 /nfs/dbraw/zinc/10/54/32/1125105432.db2.gz KPEUNOPDTCNCEK-POHAHGRESA-N 0 1 259.378 3.563 20 0 CHADMN Cc1conc1CN(Cc1ccccc1)CC1CCC1 ZINC000877994513 1125110034 /nfs/dbraw/zinc/11/00/34/1125110034.db2.gz VWEXUISYILLNOY-UHFFFAOYSA-N 0 1 270.376 3.785 20 0 CHADMN C=C/C=C/CCN(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000877995709 1125110159 /nfs/dbraw/zinc/11/01/59/1125110159.db2.gz JRCKPNHKDDYZKH-BQYQJAHWSA-N 0 1 286.419 3.614 20 0 CHADMN C[C@@]1(c2ccccc2)CN(CCc2cccc(F)c2)CCO1 ZINC001168125324 1125120134 /nfs/dbraw/zinc/12/01/34/1125120134.db2.gz JPNWFBLENBMLKY-IBGZPJMESA-N 0 1 299.389 3.616 20 0 CHADMN C[C@H]1c2ccccc2CN1C[C@H]1CCC2(CCC2)O1 ZINC000878157838 1125125754 /nfs/dbraw/zinc/12/57/54/1125125754.db2.gz NMMFKOIIHSZQIF-DZGCQCFKSA-N 0 1 257.377 3.665 20 0 CHADMN Fc1cccc([C@H]2CCN2CCc2ccccc2F)c1 ZINC000681111263 1125126701 /nfs/dbraw/zinc/12/67/01/1125126701.db2.gz MVQGFBWVSKPMDL-QGZVFWFLSA-N 0 1 273.326 3.954 20 0 CHADMN Fc1cccc([C@H]2CCN2C[C@H]2CCC3(CCC3)O2)c1 ZINC000878165867 1125127261 /nfs/dbraw/zinc/12/72/61/1125127261.db2.gz GLDMWIRTSCJPJK-HZPDHXFCSA-N 0 1 275.367 3.674 20 0 CHADMN Cc1cccc(CCC[N@@H+]2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)c1 ZINC000530173451 1125130334 /nfs/dbraw/zinc/13/03/34/1125130334.db2.gz FVFOOKVPIZEPEW-SCAQPMJSSA-N 0 1 289.419 3.501 20 0 CHADMN CC(C)[C@@H](O)CC[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000878204712 1125131357 /nfs/dbraw/zinc/13/13/57/1125131357.db2.gz WUXAFBLDPVYCKY-OCCSQVGLSA-N 0 1 292.448 3.696 20 0 CHADMN CC(C)[C@@H](O)CCN(C)[C@H](C)c1nc2ccccc2s1 ZINC000878204712 1125131361 /nfs/dbraw/zinc/13/13/61/1125131361.db2.gz WUXAFBLDPVYCKY-OCCSQVGLSA-N 0 1 292.448 3.696 20 0 CHADMN CS[C@@H]1CCCCN(Cc2scnc2Cl)C1 ZINC000878286818 1125139052 /nfs/dbraw/zinc/13/90/52/1125139052.db2.gz NQPMHJDLEJEGIS-SECBINFHSA-N 0 1 276.858 3.514 20 0 CHADMN Cc1cccc(Cl)c1NC(=O)[C@@H](C)N(C)CCC1CC1 ZINC000878287613 1125139134 /nfs/dbraw/zinc/13/91/34/1125139134.db2.gz HCWRAJZMTWGEND-GFCCVEGCSA-N 0 1 294.826 3.707 20 0 CHADMN C[C@@H]1SCCN(Cc2cccc(Cl)c2)[C@H]1C ZINC000303720048 1125141546 /nfs/dbraw/zinc/14/15/46/1125141546.db2.gz RNJSCMMENGJRBY-QWRGUYRKSA-N 0 1 255.814 3.666 20 0 CHADMN C[C@@H](c1ccc(CN2CC[C@H](F)C2)cc1)C(F)(F)F ZINC000451201094 1125142934 /nfs/dbraw/zinc/14/29/34/1125142934.db2.gz UGVZWGVVGCVGOM-GWCFXTLKSA-N 0 1 275.289 3.896 20 0 CHADMN C[C@H](c1ccco1)N(C)C[C@@H]1CCC2(CCCC2)O1 ZINC000530419171 1125151220 /nfs/dbraw/zinc/15/12/20/1125151220.db2.gz JNEOINHLSMJOIR-KGLIPLIRSA-N 0 1 263.381 3.764 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@@H]2CC3(CCC3)CO2)cs1 ZINC000878419220 1125151333 /nfs/dbraw/zinc/15/13/33/1125151333.db2.gz VACGNOKCOMSDKL-STQMWFEESA-N 0 1 294.464 3.876 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccc1-n1cccn1)c1cncs1 ZINC000121836554 1125157139 /nfs/dbraw/zinc/15/71/39/1125157139.db2.gz NKNJLKKUGWLFIA-STQMWFEESA-N 0 1 298.415 3.741 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncs1)c1ccccc1-n1cccn1 ZINC000121836710 1125157372 /nfs/dbraw/zinc/15/73/72/1125157372.db2.gz NKNJLKKUGWLFIA-OLZOCXBDSA-N 0 1 298.415 3.741 20 0 CHADMN O=C(Nc1ccc(C2CC2)cc1)[C@H]1CCN1C1CCCC1 ZINC000821540344 1131335781 /nfs/dbraw/zinc/33/57/81/1131335781.db2.gz CEUHWRWOUKANOC-QGZVFWFLSA-N 0 1 284.403 3.519 20 0 CHADMN CO[C@@H]1CCN([C@@H](C)c2cccc(Cl)c2F)C[C@H]1C ZINC000451575154 1125166706 /nfs/dbraw/zinc/16/67/06/1125166706.db2.gz SDGOUBXTNQQQBZ-UHIISALHSA-N 0 1 285.790 3.897 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1nc2c(o1)CCCC2 ZINC000878632180 1125167389 /nfs/dbraw/zinc/16/73/89/1125167389.db2.gz CMLCRKZSKOEVTJ-GFCCVEGCSA-N 0 1 250.386 3.564 20 0 CHADMN CCc1nc(C)c(CN[C@@H](CC(F)(F)F)C(C)C)o1 ZINC000428503447 1125170481 /nfs/dbraw/zinc/17/04/81/1125170481.db2.gz OAIXTTHGHOMUTH-JTQLQIEISA-N 0 1 278.318 3.612 20 0 CHADMN CCOC(=O)c1nc2ccc(-c3ccc(F)cc3)cc2[nH]1 ZINC001239477673 1131336326 /nfs/dbraw/zinc/33/63/26/1131336326.db2.gz SRTSXCRZIVUEDF-UHFFFAOYSA-N 0 1 284.290 3.546 20 0 CHADMN CN(Cc1ccccn1)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878667895 1125172304 /nfs/dbraw/zinc/17/23/04/1125172304.db2.gz DWLSGKNWGFPQIN-OALUTQOASA-N 0 1 296.414 3.824 20 0 CHADMN CN1CCc2c(F)cc(-c3ccc(F)cc3)cc2C1 ZINC001239478225 1131336398 /nfs/dbraw/zinc/33/63/98/1131336398.db2.gz XZROUVVLHDTYBA-UHFFFAOYSA-N 0 1 259.299 3.620 20 0 CHADMN COC[C@H]1CCCN(Cc2cc(C(F)(F)F)co2)CC1 ZINC000878693419 1125173576 /nfs/dbraw/zinc/17/35/76/1125173576.db2.gz VHMCLECAZRRSFT-NSHDSACASA-N 0 1 291.313 3.547 20 0 CHADMN O=C(NCCCC1CC1)c1c(O)cc(Cl)cc1Cl ZINC000530712834 1125173955 /nfs/dbraw/zinc/17/39/55/1125173955.db2.gz WHNQJSGGGDYZKV-UHFFFAOYSA-N 0 1 288.174 3.619 20 0 CHADMN Clc1cc(CN2CCC[C@@H](c3cccnc3)C2)ccn1 ZINC000878757023 1125177884 /nfs/dbraw/zinc/17/78/84/1125177884.db2.gz ZUIVJKHSXLBMSV-OAHLLOKOSA-N 0 1 287.794 3.510 20 0 CHADMN Clc1cccc(CN2CCC[C@@H](c3cccnc3)C2)n1 ZINC000878755051 1125177894 /nfs/dbraw/zinc/17/78/94/1125177894.db2.gz AKJWKNCACZXTFV-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1cnn(C(C)(C)C)c1 ZINC000122190258 1125177925 /nfs/dbraw/zinc/17/79/25/1125177925.db2.gz PAMJQJNGNVFBFA-ZDUSSCGKSA-N 0 1 289.398 3.970 20 0 CHADMN Fc1ccc(CN2CCS[C@H]3CCCC[C@H]32)c(F)c1 ZINC000530772693 1125179373 /nfs/dbraw/zinc/17/93/73/1125179373.db2.gz XICYUDYRIXLTHE-CABCVRRESA-N 0 1 283.387 3.825 20 0 CHADMN c1[nH]c(-c2ccccc2)nc1CNC1(c2ccccc2)CC1 ZINC000530774366 1125179616 /nfs/dbraw/zinc/17/96/16/1125179616.db2.gz PQLSJHGBTLXRKS-UHFFFAOYSA-N 0 1 289.382 3.856 20 0 CHADMN c1nc(-c2ccccc2)[nH]c1CNC1(c2ccccc2)CC1 ZINC000530774366 1125179622 /nfs/dbraw/zinc/17/96/22/1125179622.db2.gz PQLSJHGBTLXRKS-UHFFFAOYSA-N 0 1 289.382 3.856 20 0 CHADMN COc1ccccc1-c1nc(CN2C[C@@H]3CCCC[C@@H]32)co1 ZINC000878849177 1125182498 /nfs/dbraw/zinc/18/24/98/1125182498.db2.gz FPNRCGXLCRODLG-BBRMVZONSA-N 0 1 298.386 3.725 20 0 CHADMN Fc1ccc([C@@H]2CCN2C[C@@H]2C[C@H]3CCC[C@@H]3O2)cc1 ZINC000878921941 1125186491 /nfs/dbraw/zinc/18/64/91/1125186491.db2.gz YYZMXHZNKIYJQG-IWCQGFGOSA-N 0 1 275.367 3.530 20 0 CHADMN CCC1(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)CC1 ZINC000530939055 1125188348 /nfs/dbraw/zinc/18/83/48/1125188348.db2.gz YEFXJTGGVXLVFL-OAHLLOKOSA-N 0 1 297.402 3.725 20 0 CHADMN Fc1ccccc1CN1CCC[C@H]1c1ccccn1 ZINC000530962768 1125189388 /nfs/dbraw/zinc/18/93/88/1125189388.db2.gz REPMKUXDVABCDP-INIZCTEOSA-N 0 1 256.324 3.558 20 0 CHADMN CC(C)Oc1ccccc1CN1CC(C)(C)OC(C)(C)C1 ZINC001137139740 1125189732 /nfs/dbraw/zinc/18/97/32/1125189732.db2.gz RLZXSFOIGIZWQS-UHFFFAOYSA-N 0 1 291.435 3.863 20 0 CHADMN C[C@H]1CCC(C)(C)N1CC(=O)Nc1cc(Cl)ccc1F ZINC000452003993 1125190196 /nfs/dbraw/zinc/19/01/96/1125190196.db2.gz HBGTUASMLBXEIP-JTQLQIEISA-N 0 1 298.789 3.681 20 0 CHADMN CC(C)OC1CCN(Cc2cccc(Cl)c2)CC1 ZINC000531164031 1125198556 /nfs/dbraw/zinc/19/85/56/1125198556.db2.gz JUJICUDQFBEPCE-UHFFFAOYSA-N 0 1 267.800 3.729 20 0 CHADMN COc1cccc(CN(Cc2ccccc2)C2CC2)c1OC ZINC000122829334 1125207552 /nfs/dbraw/zinc/20/75/52/1125207552.db2.gz BVABMAAINSLUPK-UHFFFAOYSA-N 0 1 297.398 3.868 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H](C)[C@@H](C)C2)cs1 ZINC000122879114 1125209100 /nfs/dbraw/zinc/20/91/00/1125209100.db2.gz HFTWXRAQMFDVAS-NEPJUHHUSA-N 0 1 252.427 3.744 20 0 CHADMN CCCOc1cccc(NCc2ccc3nc[nH]c3c2)c1 ZINC000531333012 1125209731 /nfs/dbraw/zinc/20/97/31/1125209731.db2.gz QXJODRMIPGEZDG-UHFFFAOYSA-N 0 1 281.359 3.964 20 0 CHADMN CC(C)(NCc1nsc2ccccc12)[C@@H]1CCCCO1 ZINC000879407555 1125212387 /nfs/dbraw/zinc/21/23/87/1125212387.db2.gz MGXVLQULSMDHNK-HNNXBMFYSA-N 0 1 290.432 3.734 20 0 CHADMN CCCCCCC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000127762850 1125214924 /nfs/dbraw/zinc/21/49/24/1125214924.db2.gz YEAGRDDLDIQHLI-HNNXBMFYSA-N 0 1 292.423 3.503 20 0 CHADMN C[C@H](NC1CCCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000122958690 1125215524 /nfs/dbraw/zinc/21/55/24/1125215524.db2.gz QHKJYGQBAIPHQJ-JTQLQIEISA-N 0 1 291.782 3.983 20 0 CHADMN C[C@@H](c1noc(-c2ccccc2)n1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530040 1125218670 /nfs/dbraw/zinc/21/86/70/1125218670.db2.gz JWQDEJKWNQKXFT-CWRNSKLLSA-N 0 1 295.386 3.696 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000123036710 1125220420 /nfs/dbraw/zinc/22/04/20/1125220420.db2.gz ARHCPPRLWXEJPZ-PHIMTYICSA-N 0 1 291.782 3.763 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC(C(C)(C)O)CC1 ZINC000879625391 1125220646 /nfs/dbraw/zinc/22/06/46/1125220646.db2.gz DMDQUQCHJKLRGI-NSHDSACASA-N 0 1 283.362 3.509 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC(C(C)(C)O)CC1 ZINC000879625603 1125220801 /nfs/dbraw/zinc/22/08/01/1125220801.db2.gz IOTHRCABLJUDRQ-LLVKDONJSA-N 0 1 283.362 3.509 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1csc(-c2ccco2)n1 ZINC000123030395 1125221113 /nfs/dbraw/zinc/22/11/13/1125221113.db2.gz DTFDZJNQFUIOSR-QWRGUYRKSA-N 0 1 262.378 3.776 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1csc(-c2ccco2)n1 ZINC000123030176 1125221166 /nfs/dbraw/zinc/22/11/66/1125221166.db2.gz DTFDZJNQFUIOSR-PHIMTYICSA-N 0 1 262.378 3.776 20 0 CHADMN Cn1ccnc1CN1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000531487651 1125223315 /nfs/dbraw/zinc/22/33/15/1125223315.db2.gz UBKDQCHXAIPUMN-YUIUBULTSA-N 0 1 295.430 3.878 20 0 CHADMN Fc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC000531472479 1125223592 /nfs/dbraw/zinc/22/35/92/1125223592.db2.gz YJOLSBKGWSXWCM-QGZVFWFLSA-N 0 1 255.336 3.643 20 0 CHADMN COc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)cc1F ZINC000531472425 1125223724 /nfs/dbraw/zinc/22/37/24/1125223724.db2.gz AMQLYBQBMVQCKU-MRXNPFEDSA-N 0 1 285.362 3.651 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc3cc[nH]c3c2)nc1 ZINC000879727548 1125227954 /nfs/dbraw/zinc/22/79/54/1125227954.db2.gz GARAVPAZXJVOKY-UHFFFAOYSA-N 0 1 279.387 3.757 20 0 CHADMN C[C@H](NCc1ccc(C2CCC2)cc1)c1ccncn1 ZINC000453220509 1125230664 /nfs/dbraw/zinc/23/06/64/1125230664.db2.gz UJPKMIBSWLAGQG-ZDUSSCGKSA-N 0 1 267.376 3.595 20 0 CHADMN c1cc(CN2CCC[C@H]2CCC2CCCCC2)no1 ZINC000532268242 1125246527 /nfs/dbraw/zinc/24/65/27/1125246527.db2.gz VNRWDWUQYTVGMQ-INIZCTEOSA-N 0 1 262.397 4.000 20 0 CHADMN C[C@H](NC/C=C\Cl)c1ccc(C(F)(F)F)nc1 ZINC000880100619 1125251147 /nfs/dbraw/zinc/25/11/47/1125251147.db2.gz LKLYQQQMINWFJK-YAPUSRSVSA-N 0 1 264.678 3.504 20 0 CHADMN C[C@H]1CN(CCC(C)(C)C)C[C@H](c2ccsc2)O1 ZINC000532351685 1125251396 /nfs/dbraw/zinc/25/13/96/1125251396.db2.gz MCQMJKMROAUZKT-GXTWGEPZSA-N 0 1 267.438 3.946 20 0 CHADMN FC[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000880233987 1125258347 /nfs/dbraw/zinc/25/83/47/1125258347.db2.gz GJAWWOMMPPEBDU-ZDUSSCGKSA-N 0 1 274.339 3.523 20 0 CHADMN FC[C@@H]1CCCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000880233987 1125258349 /nfs/dbraw/zinc/25/83/49/1125258349.db2.gz GJAWWOMMPPEBDU-ZDUSSCGKSA-N 0 1 274.339 3.523 20 0 CHADMN FC[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000880236206 1125258632 /nfs/dbraw/zinc/25/86/32/1125258632.db2.gz XMJGZHQZGZQQTK-ZDUSSCGKSA-N 0 1 274.339 3.523 20 0 CHADMN FC[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000880236206 1125258636 /nfs/dbraw/zinc/25/86/36/1125258636.db2.gz XMJGZHQZGZQQTK-ZDUSSCGKSA-N 0 1 274.339 3.523 20 0 CHADMN CC(C)C[C@H]1CCCN(Cc2cn(-c3ccccc3)nn2)C1 ZINC001168145410 1125259263 /nfs/dbraw/zinc/25/92/63/1125259263.db2.gz MNKQRUIIBXDKOU-MRXNPFEDSA-N 0 1 298.434 3.525 20 0 CHADMN Clc1ccc(CN2CC[C@H](c3nccs3)C2)s1 ZINC000880314848 1125264882 /nfs/dbraw/zinc/26/48/82/1125264882.db2.gz GCCRTLBDNPTISJ-VIFPVBQESA-N 0 1 284.837 3.848 20 0 CHADMN Fc1ccc(CN2CC[C@H](c3nccs3)C2)cc1Cl ZINC000880320260 1125265581 /nfs/dbraw/zinc/26/55/81/1125265581.db2.gz QHUMXJALOFTFBQ-NSHDSACASA-N 0 1 296.798 3.925 20 0 CHADMN Fc1ccc(Cl)cc1CN1CC[C@@H](c2nccs2)C1 ZINC000880320112 1125265608 /nfs/dbraw/zinc/26/56/08/1125265608.db2.gz OOSUSEULSJCNPT-SNVBAGLBSA-N 0 1 296.798 3.925 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1cc(C)cs1)C2 ZINC001137152581 1125266759 /nfs/dbraw/zinc/26/67/59/1125266759.db2.gz UCNALPZXOCRLFJ-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN C(=C/c1ccccc1)\CCNC1(c2ncccn2)CCC1 ZINC000880368316 1125268423 /nfs/dbraw/zinc/26/84/23/1125268423.db2.gz WKZSENMZYXMOJL-ONNFQVAWSA-N 0 1 279.387 3.549 20 0 CHADMN Cc1ccc(CN2CCc3ccsc3[C@@H]2C)nc1 ZINC000880377465 1125269321 /nfs/dbraw/zinc/26/93/21/1125269321.db2.gz WPHTVHHWLKCJIZ-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN Cc1ncccc1CN1CCc2ccsc2[C@@H]1C ZINC000880376297 1125270045 /nfs/dbraw/zinc/27/00/45/1125270045.db2.gz FTQYKYXBIDENQB-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN Cc1nocc1CN1CCCSC[C@H]1c1ccccc1 ZINC000880388030 1125271724 /nfs/dbraw/zinc/27/17/24/1125271724.db2.gz HQOWLGIWGIGFIX-INIZCTEOSA-N 0 1 288.416 3.663 20 0 CHADMN CC1(CC(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1 ZINC000428521109 1125272252 /nfs/dbraw/zinc/27/22/52/1125272252.db2.gz YOVDCHIWOHCSJY-UHFFFAOYSA-N 0 1 297.280 3.710 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)cc1)c1cncs1 ZINC000128454245 1125276396 /nfs/dbraw/zinc/27/63/96/1125276396.db2.gz CHJDYEHPJPFEFR-UWVGGRQHSA-N 0 1 250.342 3.694 20 0 CHADMN COc1ccc([C@H](C)NCc2ccoc2C)c(C)c1 ZINC000666085309 1125278750 /nfs/dbraw/zinc/27/87/50/1125278750.db2.gz BLKKFCUUWKPDCB-LBPRGKRZSA-N 0 1 259.349 3.756 20 0 CHADMN c1ncc(CN2C[C@@H]3CC[C@H]2c2ccccc23)s1 ZINC000880538684 1125279231 /nfs/dbraw/zinc/27/92/31/1125279231.db2.gz PRORNLGZIQMSGY-NHYWBVRUSA-N 0 1 256.374 3.577 20 0 CHADMN Cc1nc(C)c(CN2C[C@@H]3CC[C@H]2c2ccccc23)o1 ZINC000880537706 1125279720 /nfs/dbraw/zinc/27/97/20/1125279720.db2.gz WLPHGLKGRXXBCG-BBRMVZONSA-N 0 1 268.360 3.726 20 0 CHADMN CC[C@@]1(C)CCN(Cc2nc3ccc(OC)cc3s2)C1 ZINC000475724297 1125280863 /nfs/dbraw/zinc/28/08/63/1125280863.db2.gz IXJYSSOBOXNHDW-INIZCTEOSA-N 0 1 290.432 3.927 20 0 CHADMN Cc1ccsc1[C@@H](C)N[C@H](C)c1nccnc1C ZINC000872131855 1125286766 /nfs/dbraw/zinc/28/67/66/1125286766.db2.gz AKMXIDYWWVMQIX-VXGBXAGGSA-N 0 1 261.394 3.567 20 0 CHADMN Cc1cc(C)c(/C=C/CN(C)Cc2cccc(=O)[nH]2)c(C)c1 ZINC000897391126 1125287739 /nfs/dbraw/zinc/28/77/39/1125287739.db2.gz FVORKUHXBYVMSJ-SOFGYWHQSA-N 0 1 296.414 3.858 20 0 CHADMN C[C@@H](NC1(c2ccc(F)cc2)CCCC1)c1ccn(C)n1 ZINC000666117872 1125290928 /nfs/dbraw/zinc/29/09/28/1125290928.db2.gz UFJUJDXERDWZLG-CYBMUJFWSA-N 0 1 287.382 3.679 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)Nc2ccc(C)cc2)o1 ZINC000055528623 1125292750 /nfs/dbraw/zinc/29/27/50/1125292750.db2.gz LDVMCGHBLSZTAU-UHFFFAOYSA-N 0 1 286.375 3.682 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)Nc2cccc(C)c2)o1 ZINC000055528130 1125293269 /nfs/dbraw/zinc/29/32/69/1125293269.db2.gz TVBPOPBWRASROL-UHFFFAOYSA-N 0 1 286.375 3.682 20 0 CHADMN CC(C)c1cnc(CN[C@H]2CC23CCCC3)s1 ZINC000428536325 1125295189 /nfs/dbraw/zinc/29/51/89/1125295189.db2.gz LDYHOBKQLGVFRA-LBPRGKRZSA-N 0 1 250.411 3.689 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(C)o2)cc1C ZINC000897417742 1125321169 /nfs/dbraw/zinc/32/11/69/1125321169.db2.gz VWWSCPHEMRWEDL-CYBMUJFWSA-N 0 1 259.349 3.756 20 0 CHADMN C[C@H]1CC[C@@H](CSc2nnc(CCC3CCCC3)[nH]2)O1 ZINC000191059651 1125322506 /nfs/dbraw/zinc/32/25/06/1125322506.db2.gz SMHMRFSZPRGKMB-AAEUAGOBSA-N 0 1 295.452 3.587 20 0 CHADMN C[C@H]1CC[C@@H](CSc2nc(CCC3CCCC3)n[nH]2)O1 ZINC000191059651 1125322509 /nfs/dbraw/zinc/32/25/09/1125322509.db2.gz SMHMRFSZPRGKMB-AAEUAGOBSA-N 0 1 295.452 3.587 20 0 CHADMN C[C@H](C1CC1)N(Cc1nccn1-c1ccccc1)C1CC1 ZINC000191242754 1125323173 /nfs/dbraw/zinc/32/31/73/1125323173.db2.gz PCIAJVNLBIKKDZ-CQSZACIVSA-N 0 1 281.403 3.635 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccc3c(c2)CCO3)o1 ZINC000897420014 1125326265 /nfs/dbraw/zinc/32/62/65/1125326265.db2.gz ZXQNPULBYIAEHF-GFCCVEGCSA-N 0 1 271.360 3.628 20 0 CHADMN C[C@H]1CCSCCN1Cc1cnc(C(C)(C)C)s1 ZINC000191817755 1125328002 /nfs/dbraw/zinc/32/80/02/1125328002.db2.gz CCFHRNMKBYIRAU-NSHDSACASA-N 0 1 284.494 3.768 20 0 CHADMN c1sc(C2CC2)nc1CNCC[C@H]1CCC2(CCC2)O1 ZINC000717140463 1125330774 /nfs/dbraw/zinc/33/07/74/1125330774.db2.gz VLZSMCPEPXWTFZ-CQSZACIVSA-N 0 1 292.448 3.602 20 0 CHADMN c1ccc(CCC[C@H]2CCCC[N@H+]2Cc2ncccn2)cc1 ZINC000192125954 1125331468 /nfs/dbraw/zinc/33/14/68/1125331468.db2.gz ZOCKOULWMVWAKH-GOSISDBHSA-N 0 1 295.430 3.854 20 0 CHADMN c1ccc(CCC[C@H]2CCCCN2Cc2ncccn2)cc1 ZINC000192125954 1125331470 /nfs/dbraw/zinc/33/14/70/1125331470.db2.gz ZOCKOULWMVWAKH-GOSISDBHSA-N 0 1 295.430 3.854 20 0 CHADMN CCCc1csc(CN[C@@H]2CC23CCCC3)n1 ZINC000428549784 1125349262 /nfs/dbraw/zinc/34/92/62/1125349262.db2.gz HGCXXLSSDFVZCS-GFCCVEGCSA-N 0 1 250.411 3.518 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](CCC12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000263333575 1125351436 /nfs/dbraw/zinc/35/14/36/1125351436.db2.gz MVGCIRULEHKKKO-IHWZXDPASA-N 0 1 291.435 3.530 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1ccc(Cl)nc1 ZINC000130303031 1125359119 /nfs/dbraw/zinc/35/91/19/1125359119.db2.gz MHROSFPRSPQAOH-AWEZNQCLSA-N 0 1 275.783 3.713 20 0 CHADMN CC(C)[C@]1(C)C[C@@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000350305457 1125362514 /nfs/dbraw/zinc/36/25/14/1125362514.db2.gz ZELBPDOTDRGOPB-CJNGLKHVSA-N 0 1 282.347 3.534 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)N[C@@H](C)c1cccnc1 ZINC000037229019 1125364433 /nfs/dbraw/zinc/36/44/33/1125364433.db2.gz PZFAGSNICPBJSB-UONOGXRCSA-N 0 1 270.376 3.810 20 0 CHADMN CCC[N@@H+](Cc1c2ccccc2sc1C(=O)[O-])C1CC1 ZINC000037097526 1125365153 /nfs/dbraw/zinc/36/51/53/1125365153.db2.gz GAFZTEDHSVREJT-UHFFFAOYSA-N 0 1 289.400 3.974 20 0 CHADMN CCC[C@@H](NCc1cccc(Cl)c1N)c1ccccn1 ZINC000882979441 1125365177 /nfs/dbraw/zinc/36/51/77/1125365177.db2.gz ZZHNYCGQNYDQCO-CQSZACIVSA-N 0 1 289.810 3.948 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1)N1CCC(=O)C(C)(C)C1 ZINC001168190096 1125368742 /nfs/dbraw/zinc/36/87/42/1125368742.db2.gz WPHPASUCFUSTHF-LBPRGKRZSA-N 0 1 279.811 3.572 20 0 CHADMN Cc1cnc(=S)n(CN2CCC[C@H]2c2cccs2)c1 ZINC000130774663 1125369200 /nfs/dbraw/zinc/36/92/00/1125369200.db2.gz BQDIHJATGYHUAY-LBPRGKRZSA-N 0 1 291.445 3.777 20 0 CHADMN CC(C)c1c[nH]c(CN[C@H]2c3ccccc3CC[C@H]2C)n1 ZINC000883078112 1125370468 /nfs/dbraw/zinc/37/04/68/1125370468.db2.gz HROQANZFIVOXIE-FZKQIMNGSA-N 0 1 283.419 3.946 20 0 CHADMN CSc1ccc(CN[C@@H]2CCCc3nc(C)sc32)o1 ZINC000883084128 1125371272 /nfs/dbraw/zinc/37/12/72/1125371272.db2.gz HUTBVNCKJIVWAG-LLVKDONJSA-N 0 1 294.445 3.934 20 0 CHADMN CC[C@H]1CCCN([C@H](C)C(=O)Nc2cc(F)ccc2C)C1 ZINC000248896845 1125371481 /nfs/dbraw/zinc/37/14/81/1125371481.db2.gz LRNGTXJSDKBOSE-KGLIPLIRSA-N 0 1 292.398 3.583 20 0 CHADMN c1ncn2ccc(-c3noc(CC4CCCCC4)n3)cc12 ZINC000351081556 1125374772 /nfs/dbraw/zinc/37/47/72/1125374772.db2.gz QJDSDKCTEQESJB-UHFFFAOYSA-N 0 1 282.347 3.507 20 0 CHADMN C/C=C/C[C@@H]1CCCN(Cc2csc(C)n2)C1 ZINC000626160683 1125375680 /nfs/dbraw/zinc/37/56/80/1125375680.db2.gz NKLCORDRDOQGMK-ITDFMYJTSA-N 0 1 250.411 3.630 20 0 CHADMN C/C=C\C[C@@H]1CCCN(Cc2nc(-c3ccco3)no2)C1 ZINC000626160180 1125375716 /nfs/dbraw/zinc/37/57/16/1125375716.db2.gz CAXWOESVBCWEOK-XQJDBVBESA-N 0 1 287.363 3.508 20 0 CHADMN Cc1ccc(CN(C)CCC(=O)OC(C)(C)C)c(Cl)c1 ZINC001168192568 1125378152 /nfs/dbraw/zinc/37/81/52/1125378152.db2.gz LLBNECUUYFDGMB-UHFFFAOYSA-N 0 1 297.826 3.812 20 0 CHADMN CCSc1ccc(CNCc2cccc(F)c2N)cc1 ZINC000883236198 1125381820 /nfs/dbraw/zinc/38/18/20/1125381820.db2.gz VIYRKNXDAHLUOG-UHFFFAOYSA-N 0 1 290.407 3.810 20 0 CHADMN CCSc1ccc(CNCc2cnn(C(C)C)c2)cc1 ZINC000883235416 1125382256 /nfs/dbraw/zinc/38/22/56/1125382256.db2.gz BXNGRWQKOYREIH-UHFFFAOYSA-N 0 1 289.448 3.866 20 0 CHADMN CCSc1ccc(CNCc2ccns2)cc1 ZINC000883235736 1125382285 /nfs/dbraw/zinc/38/22/85/1125382285.db2.gz JTXQPORAIIZRML-UHFFFAOYSA-N 0 1 264.419 3.545 20 0 CHADMN CC(C)c1nc(CN2C[C@@H](C)C[C@@H]2c2ccccc2)n[nH]1 ZINC000428939545 1125382790 /nfs/dbraw/zinc/38/27/90/1125382790.db2.gz AGBUHFSZZMKVPN-DZGCQCFKSA-N 0 1 284.407 3.511 20 0 CHADMN CCOC(=O)c1coc(CN[C@@H](CC)c2cccs2)c1 ZINC000354133131 1125383348 /nfs/dbraw/zinc/38/33/48/1125383348.db2.gz AMJMHDWUYMYTAA-ZDUSSCGKSA-N 0 1 293.388 3.759 20 0 CHADMN CC[C@H](CC(=O)NC[C@@H](c1cccs1)N(C)C)C(C)C ZINC000104204476 1125383685 /nfs/dbraw/zinc/38/36/85/1125383685.db2.gz KJDWXTLGVPMEOS-KGLIPLIRSA-N 0 1 296.480 3.539 20 0 CHADMN CC(C)(C[NH2+]Cc1cccc([O-])c1Cl)CC(F)F ZINC000883251370 1125384720 /nfs/dbraw/zinc/38/47/20/1125384720.db2.gz MFXVERKAXCHWOT-UHFFFAOYSA-N 0 1 277.742 3.817 20 0 CHADMN Fc1ccc([C@@H](NCC2(CC3CC3)CC2)c2ncc[nH]2)cc1 ZINC000883253229 1125385166 /nfs/dbraw/zinc/38/51/66/1125385166.db2.gz MIJGCPASBNRCAF-MRXNPFEDSA-N 0 1 299.393 3.808 20 0 CHADMN COc1ccc(C2CC2)cc1CNCc1cnn(C(C)C)c1 ZINC000883258719 1125386757 /nfs/dbraw/zinc/38/67/57/1125386757.db2.gz MUTBUVGUOVJCJQ-UHFFFAOYSA-N 0 1 299.418 3.640 20 0 CHADMN COc1ccc(C2CC2)cc1CN[C@@H](C)c1ccncc1 ZINC000883265528 1125388783 /nfs/dbraw/zinc/38/87/83/1125388783.db2.gz DTKQFYUEOKSWMA-ZDUSSCGKSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1cc(C)c([C@H](C)N(C)CC(=O)NC(C)(C)C)c(C)c1 ZINC000532458561 1125390622 /nfs/dbraw/zinc/39/06/22/1125390622.db2.gz WMFOTYYMNFQXJC-HNNXBMFYSA-N 0 1 290.451 3.519 20 0 CHADMN Fc1ccc([C@@H](N[C@@H]2C[C@@H]3CCCC[C@H]23)c2ncc[nH]2)cc1 ZINC000883322715 1125396297 /nfs/dbraw/zinc/39/62/97/1125396297.db2.gz RUSMBVBXPZZQMH-QMCVQRASSA-N 0 1 299.393 3.807 20 0 CHADMN C[C@H]1CN(Cc2ccc(F)c(Cl)c2)CC[C@@H]1C ZINC001168202388 1125397349 /nfs/dbraw/zinc/39/73/49/1125397349.db2.gz UDRFPMDOGPFQKZ-QWRGUYRKSA-N 0 1 255.764 3.957 20 0 CHADMN COc1cccc2c1OCCC[C@H]2N[C@H](C)c1ccoc1 ZINC000883331209 1125397938 /nfs/dbraw/zinc/39/79/38/1125397938.db2.gz UHEMYLCLAVWQET-IUODEOHRSA-N 0 1 287.359 3.853 20 0 CHADMN C[C@@H](NCc1nnc(-c2ccc(Cl)cc2)o1)C(C)(C)C ZINC000074317686 1125400438 /nfs/dbraw/zinc/40/04/38/1125400438.db2.gz SDZNWSVZXTTWRX-SNVBAGLBSA-N 0 1 293.798 3.914 20 0 CHADMN F[C@H]1CCc2ccccc2[C@@H]1NCc1cccc2n[nH]cc21 ZINC000883381499 1125406025 /nfs/dbraw/zinc/40/60/25/1125406025.db2.gz ODORLWHQOCGMOR-WMZOPIPTSA-N 0 1 295.361 3.678 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)C1=CCCC1 ZINC000151768994 1125406385 /nfs/dbraw/zinc/40/63/85/1125406385.db2.gz WENKHHUREHEBGB-UHFFFAOYSA-N 0 1 281.359 3.879 20 0 CHADMN CCc1noc(C)c1CN[C@H]1c2ccccc2NC1(C)C ZINC000883463519 1125411291 /nfs/dbraw/zinc/41/12/91/1125411291.db2.gz RPBAOOPGFLOFMK-INIZCTEOSA-N 0 1 285.391 3.580 20 0 CHADMN CC1(C)Nc2ccccc2[C@@H]1NCc1cncc(Cl)c1 ZINC000883464135 1125411357 /nfs/dbraw/zinc/41/13/57/1125411357.db2.gz GROYMKNVEZRBBH-HNNXBMFYSA-N 0 1 287.794 3.770 20 0 CHADMN CC1(C)Nc2ccccc2[C@H]1NCc1cncc(Cl)c1 ZINC000883464136 1125411562 /nfs/dbraw/zinc/41/15/62/1125411562.db2.gz GROYMKNVEZRBBH-OAHLLOKOSA-N 0 1 287.794 3.770 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2nc3ccccc3o2)CC1 ZINC000108392414 1125413983 /nfs/dbraw/zinc/41/39/83/1125413983.db2.gz VRELSXBRGMBIDC-CQSZACIVSA-N 0 1 288.391 3.609 20 0 CHADMN Clc1scc(CN[C@@H]2CCSC2)c1Cl ZINC000307634357 1125414146 /nfs/dbraw/zinc/41/41/46/1125414146.db2.gz SPZWGFNORXOQBV-SSDOTTSWSA-N 0 1 268.234 3.650 20 0 CHADMN CC[C@H]1CCCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000532571570 1125415136 /nfs/dbraw/zinc/41/51/36/1125415136.db2.gz MTRUNIQGPLWUMP-STQMWFEESA-N 0 1 279.428 3.940 20 0 CHADMN CN(Cc1nnc(-c2ccccc2Cl)o1)CC1CCC1 ZINC000111298077 1125417113 /nfs/dbraw/zinc/41/71/13/1125417113.db2.gz LDXUQQZXWNCSLK-UHFFFAOYSA-N 0 1 291.782 3.622 20 0 CHADMN CC1CCC(N2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001168221841 1125419718 /nfs/dbraw/zinc/41/97/18/1125419718.db2.gz REBZHZVICAVFAP-ZPPKWKGLSA-N 0 1 287.329 3.922 20 0 CHADMN O=c1cc(C2CCCC2)[nH]n1-c1ccc(Cl)cc1 ZINC000132837587 1125423793 /nfs/dbraw/zinc/42/37/93/1125423793.db2.gz QEYPDFVKVCSQQC-UHFFFAOYSA-N 0 1 262.740 3.623 20 0 CHADMN C[C@@H](CC(=O)N[C@@H]1CCCc2cn[nH]c21)C1CCCCC1 ZINC000332973105 1125429132 /nfs/dbraw/zinc/42/91/32/1125429132.db2.gz GCVZHFWFKWYUGH-SWLSCSKDSA-N 0 1 289.423 3.510 20 0 CHADMN CCCn1cc(C[N@H+]2CCC[C@@H]2c2ccccc2)cn1 ZINC000123656517 1125432233 /nfs/dbraw/zinc/43/22/33/1125432233.db2.gz XAHKCGGLGOQLNW-QGZVFWFLSA-N 0 1 269.392 3.630 20 0 CHADMN Fc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)c(Br)c1 ZINC000148094748 1125432574 /nfs/dbraw/zinc/43/25/74/1125432574.db2.gz PRPKMYWUAHNJNT-PHIMTYICSA-N 0 1 298.199 3.820 20 0 CHADMN Oc1cccc(CN2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000124085283 1125434077 /nfs/dbraw/zinc/43/40/77/1125434077.db2.gz QTVJOOZIMMKLNM-QGZVFWFLSA-N 0 1 271.335 3.868 20 0 CHADMN Cc1occc1CN(C)Cc1ccc(Br)cc1 ZINC000042375735 1125441981 /nfs/dbraw/zinc/44/19/81/1125441981.db2.gz WSUJPEGIDNGSOP-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN CC(C)N(Cc1ccccc1)C(=O)c1[nH]nc2ccccc21 ZINC000042648244 1125442097 /nfs/dbraw/zinc/44/20/97/1125442097.db2.gz NTXLTIJUOCYMLG-UHFFFAOYSA-N 0 1 293.370 3.614 20 0 CHADMN CCS[C@H](C)c1noc(CN2CCC[C@@H]2CC(C)C)n1 ZINC000125193943 1125444872 /nfs/dbraw/zinc/44/48/72/1125444872.db2.gz WOGZEPIDHKTXMT-CHWSQXEVSA-N 0 1 297.468 3.894 20 0 CHADMN COc1ccnc(CN(C)[C@H](C)c2ccc(C)cc2)c1 ZINC000106933564 1125446415 /nfs/dbraw/zinc/44/64/15/1125446415.db2.gz DOGUMVCDBHDDQV-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN CCOc1ccccc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000125354553 1125448198 /nfs/dbraw/zinc/44/81/98/1125448198.db2.gz ZUWGMPDEMQZIOX-INIZCTEOSA-N 0 1 270.376 3.751 20 0 CHADMN CN(Cc1csc(-c2ccccn2)n1)CC1CCCC1 ZINC000126159377 1125454593 /nfs/dbraw/zinc/45/45/93/1125454593.db2.gz HCEWYRRZOZIMOD-UHFFFAOYSA-N 0 1 287.432 3.827 20 0 CHADMN CCOc1cncc(CN2CCC[C@@H]2c2ccsc2)c1 ZINC000621711804 1129184669 /nfs/dbraw/zinc/18/46/69/1129184669.db2.gz HZGMACDWTHXZRY-MRXNPFEDSA-N 0 1 288.416 3.879 20 0 CHADMN Cc1nccnc1CN1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000621718727 1129185437 /nfs/dbraw/zinc/18/54/37/1129185437.db2.gz RHZDRWKTPIULDP-YVEFUNNKSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1nccnc1C[N@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000621717754 1129185694 /nfs/dbraw/zinc/18/56/94/1129185694.db2.gz MVYMVFTZDFDANA-SJKOYZFVSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1nccnc1CN1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000621717754 1129185695 /nfs/dbraw/zinc/18/56/95/1129185695.db2.gz MVYMVFTZDFDANA-SJKOYZFVSA-N 0 1 285.366 3.507 20 0 CHADMN CCCc1ccc(CN2CC(CC(F)F)C2)s1 ZINC000621731345 1129187701 /nfs/dbraw/zinc/18/77/01/1129187701.db2.gz KDBMHITZTPKARS-UHFFFAOYSA-N 0 1 259.365 3.788 20 0 CHADMN CCCC[C@H](NCc1snnc1C)c1ccccc1 ZINC000293692504 1129194113 /nfs/dbraw/zinc/19/41/13/1129194113.db2.gz NVIFDAOUWDPLQY-AWEZNQCLSA-N 0 1 275.421 3.868 20 0 CHADMN CC(C)(C)OCCNCc1csc(-c2ccccc2)n1 ZINC000621813805 1129196828 /nfs/dbraw/zinc/19/68/28/1129196828.db2.gz CKDISIYYKLMPNB-UHFFFAOYSA-N 0 1 290.432 3.715 20 0 CHADMN C[C@@H](CCC1CCCCC1)NC(=O)C(C)(C)c1cnc[nH]1 ZINC000621870872 1129201453 /nfs/dbraw/zinc/20/14/53/1129201453.db2.gz VJOJPNCHEVTGTQ-ZDUSSCGKSA-N 0 1 291.439 3.553 20 0 CHADMN Cc1coc(CNCc2cc(Br)cs2)c1 ZINC000718133379 1129205339 /nfs/dbraw/zinc/20/53/39/1129205339.db2.gz UACLSIQBNFWNSE-UHFFFAOYSA-N 0 1 286.194 3.702 20 0 CHADMN Cc1nc(C)c(C(=O)N2C[C@H](C(C)(C)C)c3ccccc32)[nH]1 ZINC000621975909 1129211605 /nfs/dbraw/zinc/21/16/05/1129211605.db2.gz YERKZYLITXDHPZ-AWEZNQCLSA-N 0 1 297.402 3.817 20 0 CHADMN Cc1nc(C)c(C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)[nH]1 ZINC000621975910 1129211925 /nfs/dbraw/zinc/21/19/25/1129211925.db2.gz YERKZYLITXDHPZ-CQSZACIVSA-N 0 1 297.402 3.817 20 0 CHADMN COc1nccc(CN[C@@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000294766932 1129216648 /nfs/dbraw/zinc/21/66/48/1129216648.db2.gz MLCMKWLOEBJISN-AWEZNQCLSA-N 0 1 299.418 3.535 20 0 CHADMN CCn1ccnc1CN[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000295843692 1129219063 /nfs/dbraw/zinc/21/90/63/1129219063.db2.gz ARFQMKPZXKKCPJ-INIZCTEOSA-N 0 1 294.402 3.552 20 0 CHADMN CC[C@H](NCc1cccc(C)n1)c1cccc(F)c1 ZINC000166569242 1129225061 /nfs/dbraw/zinc/22/50/61/1129225061.db2.gz VSPUHTKBHYQLMO-INIZCTEOSA-N 0 1 258.340 3.770 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2csc(CC)n2)C12CCCC2 ZINC000336890643 1129226894 /nfs/dbraw/zinc/22/68/94/1129226894.db2.gz NPPUTBYFSDITMO-KGLIPLIRSA-N 0 1 294.464 3.533 20 0 CHADMN Cc1ncc([C@@H](C)N2CC[C@H]2c2ccccc2)c(C)n1 ZINC000637813942 1129231207 /nfs/dbraw/zinc/23/12/07/1129231207.db2.gz UFGXZDQTNABDGM-DYVFJYSZSA-N 0 1 267.376 3.601 20 0 CHADMN CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)CC1(C(C)C)CC1 ZINC000637843768 1129232170 /nfs/dbraw/zinc/23/21/70/1129232170.db2.gz ZGBZFOPNPMTDPO-UHFFFAOYSA-N 0 1 299.418 3.594 20 0 CHADMN CCN(Cc1nc2ccccc2c(=O)[nH]1)CC1(C(C)C)CC1 ZINC000637843768 1129232175 /nfs/dbraw/zinc/23/21/75/1129232175.db2.gz ZGBZFOPNPMTDPO-UHFFFAOYSA-N 0 1 299.418 3.594 20 0 CHADMN COC1CCC(=Nc2c(Cl)ccnc2Cl)CC1 ZINC001212873642 1129232556 /nfs/dbraw/zinc/23/25/56/1129232556.db2.gz QLXARLLFVZNWNQ-VIFPVBQESA-N 0 1 273.163 3.883 20 0 CHADMN Fc1ccc2ccc(CN3C4CCC3CC4)nc2c1F ZINC000637884917 1129233844 /nfs/dbraw/zinc/23/38/44/1129233844.db2.gz IFGHNSYMSJCMDF-UHFFFAOYSA-N 0 1 274.314 3.640 20 0 CHADMN COc1ccc([C@H](C)N(C)[C@@H](C)c2cnc(C)nc2C)cc1 ZINC000637888573 1129234725 /nfs/dbraw/zinc/23/47/25/1129234725.db2.gz IDQBWYVAQLSKLQ-KBPBESRZSA-N 0 1 299.418 3.856 20 0 CHADMN C[C@H](c1ccco1)N(Cc1ccc2nccnc2c1)C1CC1 ZINC000637972853 1129238797 /nfs/dbraw/zinc/23/87/97/1129238797.db2.gz WZKKZYSKTIFNRM-CYBMUJFWSA-N 0 1 293.370 3.948 20 0 CHADMN CC(C)(CN1CCCC[C@H]1c1ncc[nH]1)Oc1ccccc1 ZINC000637991139 1129239105 /nfs/dbraw/zinc/23/91/05/1129239105.db2.gz KEYNCSJEWHZKMN-INIZCTEOSA-N 0 1 299.418 3.794 20 0 CHADMN Cc1ncc([C@@H](C)N2CCc3ccccc3[C@H]2C)c(C)n1 ZINC000638039426 1129241323 /nfs/dbraw/zinc/24/13/23/1129241323.db2.gz WDEWYSQDPVTZTO-ZIAGYGMSSA-N 0 1 281.403 3.774 20 0 CHADMN Cc1ncc([C@H](C)N2C[C@H](C)[C@H]2c2ccccc2)c(C)n1 ZINC000638153199 1129246055 /nfs/dbraw/zinc/24/60/55/1129246055.db2.gz HXTKHTGMRSGSMV-YEWDVWPNSA-N 0 1 281.403 3.847 20 0 CHADMN Nc1c(F)cccc1CN[C@@H]1CCSc2ccccc21 ZINC000638284658 1129252980 /nfs/dbraw/zinc/25/29/80/1129252980.db2.gz SHNZLUISQSZUMQ-CQSZACIVSA-N 0 1 288.391 3.735 20 0 CHADMN COc1cc(CN[C@@H]2CCc3c2cccc3Cl)sn1 ZINC000638428100 1129258353 /nfs/dbraw/zinc/25/83/53/1129258353.db2.gz YXNHOECDXWDGRC-CYBMUJFWSA-N 0 1 294.807 3.582 20 0 CHADMN CC[C@@H](C)c1cccc(NC(=O)c2coc(CN)c2)c1 ZINC000638467676 1129259362 /nfs/dbraw/zinc/25/93/62/1129259362.db2.gz OCBMQQPEOUBVLU-LLVKDONJSA-N 0 1 272.348 3.504 20 0 CHADMN CC[C@H](C)c1cccc(NC(=O)c2coc(CN)c2)c1 ZINC000638467677 1129259619 /nfs/dbraw/zinc/25/96/19/1129259619.db2.gz OCBMQQPEOUBVLU-NSHDSACASA-N 0 1 272.348 3.504 20 0 CHADMN C[N@@H+](Cc1cc2ccccc2nc1Cl)[C@@H]1CCSC1 ZINC000037758330 1129265184 /nfs/dbraw/zinc/26/51/84/1129265184.db2.gz CXUMMPRLCRSPKT-CYBMUJFWSA-N 0 1 292.835 3.826 20 0 CHADMN CN(Cc1cc2ccccc2nc1Cl)[C@@H]1CCSC1 ZINC000037758330 1129265188 /nfs/dbraw/zinc/26/51/88/1129265188.db2.gz CXUMMPRLCRSPKT-CYBMUJFWSA-N 0 1 292.835 3.826 20 0 CHADMN CCOC(CN1CCC[C@@H]1c1ccccc1Cl)OCC ZINC000184950617 1129266279 /nfs/dbraw/zinc/26/62/79/1129266279.db2.gz VHXPEIDLUFXCSU-OAHLLOKOSA-N 0 1 297.826 3.876 20 0 CHADMN C[C@@H](NCc1c(F)cccc1OC(F)F)[C@H]1CC1(F)F ZINC000638699962 1129267036 /nfs/dbraw/zinc/26/70/36/1129267036.db2.gz DQACMYOOESJQDA-VXNVDRBHSA-N 0 1 295.251 3.560 20 0 CHADMN C[C@H](NC1CC(n2cccn2)C1)c1c(F)cccc1Cl ZINC000638729980 1129268053 /nfs/dbraw/zinc/26/80/53/1129268053.db2.gz WBHGWWKRBVHPHQ-UNXYVOJBSA-N 0 1 293.773 3.730 20 0 CHADMN Cc1ccc(N[C@H](c2nnc[nH]2)C2CCCCC2)c(C)n1 ZINC000638787621 1129270644 /nfs/dbraw/zinc/27/06/44/1129270644.db2.gz YKYMSBDAEYLEKD-HNNXBMFYSA-N 0 1 285.395 3.550 20 0 CHADMN CC[C@](C)(CN[C@@H](c1cccc(C)c1)c1ccccn1)OC ZINC000638813708 1129271362 /nfs/dbraw/zinc/27/13/62/1129271362.db2.gz KQDQYPZQIXWHEW-RBUKOAKNSA-N 0 1 298.430 3.884 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@@H](c3cccc(C)c3)C2)s1 ZINC000282645996 1129275186 /nfs/dbraw/zinc/27/51/86/1129275186.db2.gz CARPGCJPZDNMEF-SWLSCSKDSA-N 0 1 287.432 3.705 20 0 CHADMN CCc1nnc([C@H](C)N2CCC[C@H](Cc3ccccc3)C2)o1 ZINC000348029319 1129275203 /nfs/dbraw/zinc/27/52/03/1129275203.db2.gz VZODKOVQUBAZEE-GOEBONIOSA-N 0 1 299.418 3.648 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC[C@@H](Cc3ccccc3)C2)o1 ZINC000348029326 1129275325 /nfs/dbraw/zinc/27/53/25/1129275325.db2.gz VZODKOVQUBAZEE-ZBFHGGJFSA-N 0 1 299.418 3.648 20 0 CHADMN CCN(Cc1ccncc1)Cc1ccccc1OC(C)C ZINC000348073040 1129276837 /nfs/dbraw/zinc/27/68/37/1129276837.db2.gz LEMZRVKLNBYOLQ-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN CN(CCSc1ccc(F)cc1)Cc1ccoc1 ZINC000348063909 1129278251 /nfs/dbraw/zinc/27/82/51/1129278251.db2.gz UGRUPYWESHAQIH-UHFFFAOYSA-N 0 1 265.353 3.643 20 0 CHADMN Cc1cc([C@H](C)NCCSc2ccc(C)cc2)no1 ZINC000282704950 1129280495 /nfs/dbraw/zinc/28/04/95/1129280495.db2.gz LBLSFXXIEBSTGZ-ZDUSSCGKSA-N 0 1 276.405 3.734 20 0 CHADMN Cc1nc2ccccc2nc1CNC(C)(C)CC(F)(F)F ZINC000639086285 1129280646 /nfs/dbraw/zinc/28/06/46/1129280646.db2.gz OQZBWRHPYGMWIT-UHFFFAOYSA-N 0 1 297.324 3.759 20 0 CHADMN Cc1cnc(CNCCCCCc2ccc(F)cc2)o1 ZINC000639090759 1129281198 /nfs/dbraw/zinc/28/11/98/1129281198.db2.gz JZLYWIQYNPSBEM-UHFFFAOYSA-N 0 1 276.355 3.625 20 0 CHADMN CCC(O)(CC)C[N@@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000626110832 1129281659 /nfs/dbraw/zinc/28/16/59/1129281659.db2.gz SHPXJMBAPIHFKK-LBPRGKRZSA-N 0 1 282.428 3.516 20 0 CHADMN CCC(O)(CC)CN(C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000626110832 1129281662 /nfs/dbraw/zinc/28/16/62/1129281662.db2.gz SHPXJMBAPIHFKK-LBPRGKRZSA-N 0 1 282.428 3.516 20 0 CHADMN COc1ccc([C@H]2C[C@@H]2[C@@H](C)NC(C)(C)C(F)F)cc1 ZINC000639121012 1129283857 /nfs/dbraw/zinc/28/38/57/1129283857.db2.gz WTCAXKVSPMWGHC-LERXQTSPSA-N 0 1 283.362 3.821 20 0 CHADMN Cc1ccc([C@H](N[C@@H]2CS[C@@H](C)C2)c2ccccn2)cc1 ZINC000639119580 1129284271 /nfs/dbraw/zinc/28/42/71/1129284271.db2.gz LUSSJGVWNMBULU-ZVZYQTTQSA-N 0 1 298.455 3.963 20 0 CHADMN Cc1noc([C@@H]2CCCN2C[C@@]2(C)C[C@@H]2c2ccccc2)n1 ZINC000639166121 1129288844 /nfs/dbraw/zinc/28/88/44/1129288844.db2.gz DTBLFSDOYAFZBL-SOLBZPMBSA-N 0 1 297.402 3.709 20 0 CHADMN c1ccc2oc(CN3CC4(CCC4)[C@H]3C3CC3)nc2c1 ZINC000639190973 1129290277 /nfs/dbraw/zinc/29/02/77/1129290277.db2.gz FJFGUPPXHWWQKQ-MRXNPFEDSA-N 0 1 268.360 3.592 20 0 CHADMN Cc1cc(CNCc2ccc(O)c(Cl)c2)c(C)o1 ZINC000734003708 1129291367 /nfs/dbraw/zinc/29/13/67/1129291367.db2.gz WYTZIYLZPQPTDI-UHFFFAOYSA-N 0 1 265.740 3.545 20 0 CHADMN CCSc1cccc(CNCc2cc(C)ns2)c1 ZINC000639200496 1129291998 /nfs/dbraw/zinc/29/19/98/1129291998.db2.gz IDGRWSZIGDFOHO-UHFFFAOYSA-N 0 1 278.446 3.853 20 0 CHADMN Cc1csc(CNCc2nc3ccccc3nc2C)c1 ZINC000639228416 1129294928 /nfs/dbraw/zinc/29/49/28/1129294928.db2.gz XIDCPRFRAMNORU-UHFFFAOYSA-N 0 1 283.400 3.598 20 0 CHADMN Cc1ccc(CN(C)[C@H](C)c2cnc(C)nc2C)cc1C ZINC000639242096 1129295887 /nfs/dbraw/zinc/29/58/87/1129295887.db2.gz QGJOEGGKJQQFJB-OAHLLOKOSA-N 0 1 283.419 3.903 20 0 CHADMN COc1ccc(CN[C@@H]2CCc3cccnc32)cc1Cl ZINC000718884837 1129296119 /nfs/dbraw/zinc/29/61/19/1129296119.db2.gz VRYDMVTZTSWZAH-CQSZACIVSA-N 0 1 288.778 3.521 20 0 CHADMN Cn1ccnc1[C@H](Nc1ccc2cnccc2c1)C1CC1 ZINC000639246326 1129296682 /nfs/dbraw/zinc/29/66/82/1129296682.db2.gz DHZBIUJOFAPVHX-MRXNPFEDSA-N 0 1 278.359 3.532 20 0 CHADMN CC(C)O[C@H](CN[C@H]1C[C@H](C)n2ccnc21)c1ccccc1 ZINC000639247296 1129297239 /nfs/dbraw/zinc/29/72/39/1129297239.db2.gz IIIBSHKFWIXIIR-BHYGNILZSA-N 0 1 299.418 3.645 20 0 CHADMN Cc1ncc([C@@H](C)N2CCSC3(CCC3)CC2)c(C)n1 ZINC000639261855 1129298010 /nfs/dbraw/zinc/29/80/10/1129298010.db2.gz SOSXIMDYMSAHEV-CYBMUJFWSA-N 0 1 291.464 3.516 20 0 CHADMN Cc1ccc(CN(Cc2cccc(F)c2N)CC2CC2)cn1 ZINC000639284330 1129299907 /nfs/dbraw/zinc/29/99/07/1129299907.db2.gz SILQXUIMPCZLBI-UHFFFAOYSA-N 0 1 299.393 3.524 20 0 CHADMN Fc1ccc(CN2CC3(CC3(F)F)C2)c2ccccc12 ZINC000639298438 1129300437 /nfs/dbraw/zinc/30/04/37/1129300437.db2.gz XWPIHZLVZHBHCY-UHFFFAOYSA-N 0 1 277.289 3.820 20 0 CHADMN CCc1ccc(C)nc1N[C@H](C)c1cnc(C)nc1C ZINC000639306449 1129301661 /nfs/dbraw/zinc/30/16/61/1129301661.db2.gz CWYUQGUIKBACGV-GFCCVEGCSA-N 0 1 270.380 3.532 20 0 CHADMN FC(F)(F)c1cccc2c1CCN(CCC[C@@H]1CCO1)C2 ZINC000639350704 1129305631 /nfs/dbraw/zinc/30/56/31/1129305631.db2.gz MXZDDLWGMXPXAC-CYBMUJFWSA-N 0 1 299.336 3.633 20 0 CHADMN CCc1cnc(CN2CCC3(CCSCC3)CC2)s1 ZINC000639374555 1129308548 /nfs/dbraw/zinc/30/85/48/1129308548.db2.gz GTNVYYJUISYPAJ-UHFFFAOYSA-N 0 1 296.505 3.815 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN(Cc2cc[nH]c(=O)c2)C2CC2)o1 ZINC000639433473 1129314062 /nfs/dbraw/zinc/31/40/62/1129314062.db2.gz NZNXIAZEDWLYPA-MLGOLLRUSA-N 0 1 298.386 3.668 20 0 CHADMN COC1CCC(=Nc2c3nsnc3ccc2Cl)CC1 ZINC001212879912 1129315123 /nfs/dbraw/zinc/31/51/23/1129315123.db2.gz MHROIQVAIBVNTI-VIFPVBQESA-N 0 1 295.795 3.839 20 0 CHADMN COc1cccc(-c2nc(CN(C(C)C)C3CC3)co2)c1 ZINC000639452991 1129316873 /nfs/dbraw/zinc/31/68/73/1129316873.db2.gz VRUHDGJCMOIDGZ-UHFFFAOYSA-N 0 1 286.375 3.723 20 0 CHADMN Cc1ccccc1[C@@H]1CCN(Cc2nc(C3CCC3)no2)C1 ZINC000639469676 1129318426 /nfs/dbraw/zinc/31/84/26/1129318426.db2.gz WBBRCFUVHVPXSN-OAHLLOKOSA-N 0 1 297.402 3.635 20 0 CHADMN Cn1cc(-c2nc[nH]c3nc(=S)sc2-3)c2ccccc21 ZINC001239526262 1131366101 /nfs/dbraw/zinc/36/61/01/1131366101.db2.gz OSVZWQFSPPMPSZ-UHFFFAOYSA-N 0 1 298.396 3.534 20 0 CHADMN COc1cccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)co2)c1 ZINC000639516557 1129320451 /nfs/dbraw/zinc/32/04/51/1129320451.db2.gz WIYFVJBSANKXGZ-GASCZTMLSA-N 0 1 298.386 3.582 20 0 CHADMN CSc1ccccc1NC(=S)NC(C1CC1)C1CC1 ZINC000734754102 1129321413 /nfs/dbraw/zinc/32/14/13/1129321413.db2.gz LWZBZQDCPIOYKG-UHFFFAOYSA-N 0 1 292.473 3.884 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1nc(C2CCC2)no1 ZINC000639524907 1129322378 /nfs/dbraw/zinc/32/23/78/1129322378.db2.gz CTIJDAPKJKIYFB-CZUORRHYSA-N 0 1 297.402 3.715 20 0 CHADMN CC(C)(C)C1CCN(Cn2nccc2-c2ccncc2)CC1 ZINC000734829333 1129323572 /nfs/dbraw/zinc/32/35/72/1129323572.db2.gz JQPGSLYAUGMDOH-UHFFFAOYSA-N 0 1 298.434 3.661 20 0 CHADMN Cc1ncc2c(n1)CCC[C@@H]2N[C@@H](C)c1ccc(F)cc1 ZINC000734850769 1129325096 /nfs/dbraw/zinc/32/50/96/1129325096.db2.gz MUERMCARKBCHRX-ZBEGNZNMSA-N 0 1 285.366 3.652 20 0 CHADMN Fc1ccccc1C1CC(NCc2ncc(Cl)s2)C1 ZINC000719430844 1129332625 /nfs/dbraw/zinc/33/26/25/1129332625.db2.gz OXCAQMMMHMUEDA-UHFFFAOYSA-N 0 1 296.798 3.971 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)c2ccccc2n1 ZINC000639780728 1129333109 /nfs/dbraw/zinc/33/31/09/1129333109.db2.gz GORAMNXZOYHWGE-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN Fc1ccc([C@H]([NH2+]Cc2c[nH]cn2)C2CCCCC2)cc1 ZINC000640014468 1129345013 /nfs/dbraw/zinc/34/50/13/1129345013.db2.gz XQEKAFVAZMBHRF-QGZVFWFLSA-N 0 1 287.382 3.960 20 0 CHADMN Cc1nnc(CN[C@@H]2CCC(C)(C)C[C@@H]2c2ccccc2)o1 ZINC000640106144 1129348121 /nfs/dbraw/zinc/34/81/21/1129348121.db2.gz FJFIDZSZCWUSMI-HZPDHXFCSA-N 0 1 299.418 3.830 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC[C@H](C3CCC3)CC2)o1 ZINC000640105715 1129348417 /nfs/dbraw/zinc/34/84/17/1129348417.db2.gz IHBTWGUEZNDBDM-OCCSQVGLSA-N 0 1 277.412 3.595 20 0 CHADMN Cc1nonc1CN1CCCCC[C@@H]1c1cccc(C)c1 ZINC000735495264 1129349682 /nfs/dbraw/zinc/34/96/82/1129349682.db2.gz SAKMWKNVGKJPLK-QGZVFWFLSA-N 0 1 285.391 3.804 20 0 CHADMN CC[C@H](C)CCCCC(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795524922 1129352682 /nfs/dbraw/zinc/35/26/82/1129352682.db2.gz GNTZHXVLOUXDTC-LBPRGKRZSA-N 0 1 281.400 3.578 20 0 CHADMN CC[C@H](C)CCCCC(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795524922 1129352685 /nfs/dbraw/zinc/35/26/85/1129352685.db2.gz GNTZHXVLOUXDTC-LBPRGKRZSA-N 0 1 281.400 3.578 20 0 CHADMN CCc1n[nH]cc1-c1nc(-c2cc(Cl)ccc2C)no1 ZINC001212885507 1129360149 /nfs/dbraw/zinc/36/01/49/1129360149.db2.gz KLRULGKZGGGDOD-UHFFFAOYSA-N 0 1 288.738 3.651 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)ccc12 ZINC000091827446 1129371759 /nfs/dbraw/zinc/37/17/59/1129371759.db2.gz NNJOARFYBVZANV-JKSUJKDBSA-N 0 1 291.354 3.614 20 0 CHADMN CC(=O)Nc1cccc(-c2ccc(CN(C)C)c(F)c2)c1 ZINC001239533474 1131369892 /nfs/dbraw/zinc/36/98/92/1131369892.db2.gz YWKCVKFNKKORGC-UHFFFAOYSA-N 0 1 286.350 3.513 20 0 CHADMN CC(=O)[C@@H]1CCCN(Cc2c[nH]c3c2cccc3Cl)C1 ZINC001138833411 1129379758 /nfs/dbraw/zinc/37/97/58/1129379758.db2.gz BGYDBKQQVKXWTA-GFCCVEGCSA-N 0 1 290.794 3.622 20 0 CHADMN COc1cccc([C@H](C)NCc2ccc(SC)o2)c1 ZINC000641708106 1129387149 /nfs/dbraw/zinc/38/71/49/1129387149.db2.gz NWQYFNNDMAMPEJ-NSHDSACASA-N 0 1 277.389 3.861 20 0 CHADMN CSc1ccc(CNCc2ccc(F)c(C)c2)o1 ZINC000641705097 1129387734 /nfs/dbraw/zinc/38/77/34/1129387734.db2.gz YSUFTWWRMDDUSV-UHFFFAOYSA-N 0 1 265.353 3.739 20 0 CHADMN CCSc1ccc([C@@H](C)NCc2ccncc2N)cc1 ZINC000641715391 1129388214 /nfs/dbraw/zinc/38/82/14/1129388214.db2.gz KBZZEBRARJRKFM-GFCCVEGCSA-N 0 1 287.432 3.627 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1CC(=O)OCc1cccc(C(F)F)c1 ZINC000795632252 1129389673 /nfs/dbraw/zinc/38/96/73/1129389673.db2.gz VPKRQZGRZUZRBV-VXGBXAGGSA-N 0 1 297.345 3.540 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cc(F)cc(F)c2)s1 ZINC000179131676 1129391023 /nfs/dbraw/zinc/39/10/23/1129391023.db2.gz WPZUSOQJISQIBW-MRVPVSSYSA-N 0 1 268.332 3.581 20 0 CHADMN CCc1ncc(CN[C@H](c2ccccc2)C2CCC2)o1 ZINC000641778583 1129391681 /nfs/dbraw/zinc/39/16/81/1129391681.db2.gz AFRVJPKUVCRAQW-QGZVFWFLSA-N 0 1 270.376 3.868 20 0 CHADMN C[C@H](NC1CCC(OC2CCCC2)CC1)C(F)F ZINC000641791783 1129393101 /nfs/dbraw/zinc/39/31/01/1129393101.db2.gz MZUQWFMIINRXIP-ZBOXLXRLSA-N 0 1 261.356 3.500 20 0 CHADMN CC[C@H](NC[C@H](OC)C(F)(F)F)c1ccc(F)cc1F ZINC000738424158 1129394064 /nfs/dbraw/zinc/39/40/64/1129394064.db2.gz JBJPWJFRHLFYTN-RYUDHWBXSA-N 0 1 297.267 3.583 20 0 CHADMN CCc1cc(CNCc2ccc(-c3ccccc3)o2)[nH]n1 ZINC000738430644 1129394180 /nfs/dbraw/zinc/39/41/80/1129394180.db2.gz HBHNXEAIZWEHNV-UHFFFAOYSA-N 0 1 281.359 3.522 20 0 CHADMN CCCc1ccc(CNCc2cc(OC)ccc2OC)cc1 ZINC000641856614 1129395941 /nfs/dbraw/zinc/39/59/41/1129395941.db2.gz DUBCENTXCBACFH-UHFFFAOYSA-N 0 1 299.414 3.946 20 0 CHADMN CCCN(Cc1ccc(C)cc1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000641969645 1129398468 /nfs/dbraw/zinc/39/84/68/1129398468.db2.gz ZKRXPJKBOBHHDD-UHFFFAOYSA-N 0 1 297.402 3.648 20 0 CHADMN C[C@@H]1c2ccc(F)cc2CCN1C[C@H]1CC1(Cl)Cl ZINC000738882747 1129399108 /nfs/dbraw/zinc/39/91/08/1129399108.db2.gz UMWCHISDUYMVOZ-MWLCHTKSSA-N 0 1 288.193 3.939 20 0 CHADMN CCCN(Cc1cc(C)no1)Cc1ccc(C)cc1 ZINC000641979617 1129399790 /nfs/dbraw/zinc/39/97/90/1129399790.db2.gz QLSJYVFBLDMROH-UHFFFAOYSA-N 0 1 258.365 3.704 20 0 CHADMN Cc1ccc(-c2nnc(CN(C)[C@H](C)C(C)(C)C)o2)cc1 ZINC000642188058 1129408773 /nfs/dbraw/zinc/40/87/73/1129408773.db2.gz XZRODGPJXHPMLH-CYBMUJFWSA-N 0 1 287.407 3.911 20 0 CHADMN CC[C@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000642330163 1129414278 /nfs/dbraw/zinc/41/42/78/1129414278.db2.gz MYKNQAJAEOZLSV-AWEZNQCLSA-N 0 1 270.376 3.964 20 0 CHADMN Cc1ccc(NC(=O)c2cc(-c3ccoc3)n[nH]2)cc1C ZINC000642643483 1129423092 /nfs/dbraw/zinc/42/30/92/1129423092.db2.gz YFJGBWGVWDAPJP-UHFFFAOYSA-N 0 1 281.315 3.539 20 0 CHADMN Cc1ccc2nc(-c3cn(C)nc3C(F)F)[nH]c2c1C ZINC000642785339 1129425270 /nfs/dbraw/zinc/42/52/70/1129425270.db2.gz ZUAOWPLHDLLKOF-UHFFFAOYSA-N 0 1 276.290 3.518 20 0 CHADMN CC(C)[C@@H](C(=O)OCc1cccc(Cl)c1)N1CCCC1 ZINC000741013367 1129426883 /nfs/dbraw/zinc/42/68/83/1129426883.db2.gz IYORHHZPHMWHEM-HNNXBMFYSA-N 0 1 295.810 3.504 20 0 CHADMN CC[C@H](OC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)c1ccccc1 ZINC000741024420 1129426951 /nfs/dbraw/zinc/42/69/51/1129426951.db2.gz VLEGZYXORQVDJM-JKQORVJESA-N 0 1 289.419 3.942 20 0 CHADMN C[C@@H](C(=O)OCc1ccc(Cl)cc1)N1[C@H](C)CC[C@@H]1C ZINC000741024232 1129426968 /nfs/dbraw/zinc/42/69/68/1129426968.db2.gz RZJWWPYEFVCHIZ-XQQFMLRXSA-N 0 1 295.810 3.645 20 0 CHADMN CC[C@H](CO)NCc1c(Cl)ccc(Cl)c1Cl ZINC000035054875 1129427565 /nfs/dbraw/zinc/42/75/65/1129427565.db2.gz GPCRNURMRSXWRK-SSDOTTSWSA-N 0 1 282.598 3.507 20 0 CHADMN Cc1n[nH]c(C2CC2)c1-c1nc(-c2cc(C)cc(C)c2)no1 ZINC001212958670 1129427960 /nfs/dbraw/zinc/42/79/60/1129427960.db2.gz GFLQMMLEPHOILI-UHFFFAOYSA-N 0 1 294.358 3.929 20 0 CHADMN CC(C)Oc1ccnc(NC[C@H]2CCC(F)(F)C2)c1 ZINC001155173071 1129438337 /nfs/dbraw/zinc/43/83/37/1129438337.db2.gz LAVGTOUVSDSUCC-NSHDSACASA-N 0 1 270.323 3.716 20 0 CHADMN CC(C)Oc1ccnc(NC[C@@H]2CCC(F)(F)C2)c1 ZINC001155173069 1129438420 /nfs/dbraw/zinc/43/84/20/1129438420.db2.gz LAVGTOUVSDSUCC-LLVKDONJSA-N 0 1 270.323 3.716 20 0 CHADMN Fc1ccccc1C1CN(Cc2ccc3cnccc3c2)C1 ZINC000643354946 1129439904 /nfs/dbraw/zinc/43/99/04/1129439904.db2.gz TUEOVDBSDYGTAO-UHFFFAOYSA-N 0 1 292.357 3.973 20 0 CHADMN COc1cc2ccnc(NC(=N)C(C)(C)C)c2cc1F ZINC001155181579 1129445326 /nfs/dbraw/zinc/44/53/26/1129445326.db2.gz LLPJDUAODQFPMY-UHFFFAOYSA-N 0 1 275.327 3.818 20 0 CHADMN COc1cc2cnc(NC(=N)C(C)(C)C)cc2cc1OC ZINC001155181856 1129445482 /nfs/dbraw/zinc/44/54/82/1129445482.db2.gz UIWXVISJCUKMNJ-UHFFFAOYSA-N 0 1 287.363 3.687 20 0 CHADMN Clc1ccc(CNc2nccn2-c2ccccc2)cn1 ZINC000795804878 1129449840 /nfs/dbraw/zinc/44/98/40/1129449840.db2.gz DZIFITNTTNQBEK-UHFFFAOYSA-N 0 1 284.750 3.533 20 0 CHADMN Cc1cn[nH]c1CNc1cc(Cl)ccc1OC(F)F ZINC000643801973 1129450597 /nfs/dbraw/zinc/45/05/97/1129450597.db2.gz DDAHDOKJMKJPPS-UHFFFAOYSA-N 0 1 287.697 3.585 20 0 CHADMN O[C@H](CCN1CC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000795927873 1129457523 /nfs/dbraw/zinc/45/75/23/1129457523.db2.gz PFOZLQITJHBORA-ZWKOTPCHSA-N 0 1 285.362 3.696 20 0 CHADMN FC(F)(F)c1ccccc1-c1cc2[nH]cnc2cn1 ZINC001239542154 1131375775 /nfs/dbraw/zinc/37/57/75/1131375775.db2.gz AIHPVDCUWLQFRZ-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN CC1(C)CC[C@H](N2CCc3c([nH]nc3C(F)(F)F)C2)C1 ZINC001258609805 1129460117 /nfs/dbraw/zinc/46/01/17/1129460117.db2.gz ZQZQSSHFGCHUKI-CABZTGNLSA-N 0 1 287.329 3.922 20 0 CHADMN CCCc1ccc(CNCc2oc(CC)nc2C)cc1 ZINC000644447232 1129466700 /nfs/dbraw/zinc/46/67/00/1129466700.db2.gz VEOBJCAWAYTUMK-UHFFFAOYSA-N 0 1 272.392 3.788 20 0 CHADMN CCc1nc(C)c(CN[C@H]2c3ccccc3CC[C@@H]2C)o1 ZINC000644560303 1129470401 /nfs/dbraw/zinc/47/04/01/1129470401.db2.gz UOHAUDAYGVQCRZ-KPZWWZAWSA-N 0 1 284.403 3.959 20 0 CHADMN Fc1cccc(-n2ccc(CN3CCC(C4CC4)CC3)n2)c1 ZINC000644719777 1129476352 /nfs/dbraw/zinc/47/63/52/1129476352.db2.gz ICAOTABUHSMDRP-UHFFFAOYSA-N 0 1 299.393 3.633 20 0 CHADMN Clc1ccc2nc(CN3CCC(C4CC4)CC3)cn2c1 ZINC000644718814 1129476463 /nfs/dbraw/zinc/47/64/63/1129476463.db2.gz GOZGRKRAWXOKBE-UHFFFAOYSA-N 0 1 289.810 3.610 20 0 CHADMN c1oc(-c2ccccc2)nc1CN1CCC(C2CC2)CC1 ZINC000644720087 1129477108 /nfs/dbraw/zinc/47/71/08/1129477108.db2.gz SRKDZMZOQOEDBD-UHFFFAOYSA-N 0 1 282.387 3.964 20 0 CHADMN COc1ccc2c(c1)OCC[C@H]2NCc1ccsc1C ZINC000645157049 1129489033 /nfs/dbraw/zinc/48/90/33/1129489033.db2.gz GBLOQURQBNTHOT-OAHLLOKOSA-N 0 1 289.400 3.679 20 0 CHADMN [O-]c1cccc(C[NH2+][C@H]2C[C@H]2Cc2ccccc2)c1Cl ZINC000645157381 1129489069 /nfs/dbraw/zinc/48/90/69/1129489069.db2.gz WDBBZHIJHKKZLQ-CABCVRRESA-N 0 1 287.790 3.766 20 0 CHADMN Cc1sccc1CN[C@H]1COc2c1cccc2Cl ZINC000645161827 1129489454 /nfs/dbraw/zinc/48/94/54/1129489454.db2.gz WGWPQBMCSBIPGG-ZDUSSCGKSA-N 0 1 279.792 3.933 20 0 CHADMN Cc1nocc1CN[C@H](CC1CC1)c1ccccc1 ZINC000645157091 1129489583 /nfs/dbraw/zinc/48/95/83/1129489583.db2.gz YROVJRKESYXVJD-MRXNPFEDSA-N 0 1 256.349 3.614 20 0 CHADMN Cc1cc(Cl)cc(CNCc2nn(C)c3ccccc23)c1 ZINC000645171730 1129490512 /nfs/dbraw/zinc/49/05/12/1129490512.db2.gz INBRUZSGQZONGK-UHFFFAOYSA-N 0 1 299.805 3.825 20 0 CHADMN c1nc(NCc2nc3c(s2)CCCC3)cc2c1CCC2 ZINC000645212563 1129491650 /nfs/dbraw/zinc/49/16/50/1129491650.db2.gz UYPCYBWQQUOXHB-UHFFFAOYSA-N 0 1 285.416 3.518 20 0 CHADMN CCCCC[C@@H](C)CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000742628904 1129492119 /nfs/dbraw/zinc/49/21/19/1129492119.db2.gz XHOYNAOPOLGMEA-LLVKDONJSA-N 0 1 290.367 3.610 20 0 CHADMN CCCC[C@H](C)N(CCCC)Cc1nc(CC)no1 ZINC000645236629 1129492487 /nfs/dbraw/zinc/49/24/87/1129492487.db2.gz GZEBXAYQNJGIEC-ZDUSSCGKSA-N 0 1 267.417 3.813 20 0 CHADMN CCCCCC[C@@](C)(CCC)C(=O)N[C@@H]1CCCN(C)C1 ZINC000742641082 1129492505 /nfs/dbraw/zinc/49/25/05/1129492505.db2.gz ZNEQDNLXMXZDSA-SJLPKXTDSA-N 0 1 296.499 3.974 20 0 CHADMN C[C@@H](CNc1cc[nH+]c2c([O-])cccc12)CC(F)F ZINC000645307098 1129494543 /nfs/dbraw/zinc/49/45/43/1129494543.db2.gz MWQQTCPOMWLULZ-SECBINFHSA-N 0 1 266.291 3.644 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1cccc2c1OCCO2 ZINC000742725391 1129497077 /nfs/dbraw/zinc/49/70/77/1129497077.db2.gz PKOVDQGABBPORF-KRWDZBQOSA-N 0 1 295.382 3.543 20 0 CHADMN c1csc([C@H](Nc2ccc(C3CC3)cc2)c2nnc[nH]2)c1 ZINC000645441581 1129497830 /nfs/dbraw/zinc/49/78/30/1129497830.db2.gz WYHFARXKGFETFP-HNNXBMFYSA-N 0 1 296.399 3.945 20 0 CHADMN Clc1ccc([C@H]2CCN2CCC[C@H]2CCOC2)cc1 ZINC000645811966 1129508475 /nfs/dbraw/zinc/50/84/75/1129508475.db2.gz AQZJEVHWVWFTBX-XJKSGUPXSA-N 0 1 279.811 3.904 20 0 CHADMN CSc1cc(C)ccc1CN[C@@H](C)c1c[nH]nc1C ZINC000180756038 1129512766 /nfs/dbraw/zinc/51/27/66/1129512766.db2.gz PDNATDWOWWBFMB-NSHDSACASA-N 0 1 275.421 3.599 20 0 CHADMN Clc1cc2c(s1)CCN(CCC[C@H]1CCOC1)C2 ZINC000645954590 1129514328 /nfs/dbraw/zinc/51/43/28/1129514328.db2.gz QBUXTGSKOPJJPE-NSHDSACASA-N 0 1 285.840 3.576 20 0 CHADMN Cc1noc(C)c1CNC1(c2cccc(C)c2)CCC1 ZINC000646020850 1129516932 /nfs/dbraw/zinc/51/69/32/1129516932.db2.gz CTYVKQIEKIDGCM-UHFFFAOYSA-N 0 1 270.376 3.769 20 0 CHADMN C[C@H](C(=O)Nc1ccc(F)cc1F)N(C)CCC(C)(C)C ZINC000646027548 1129517806 /nfs/dbraw/zinc/51/78/06/1129517806.db2.gz OOAVEBDGKQROHU-LLVKDONJSA-N 0 1 298.377 3.660 20 0 CHADMN C[C@H](C(=O)Nc1cc(F)ccc1F)N(C)CCC(C)(C)C ZINC000646027683 1129517916 /nfs/dbraw/zinc/51/79/16/1129517916.db2.gz WSQAENYZVIQMQC-LLVKDONJSA-N 0 1 298.377 3.660 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2CN2C(=O)CC23CCC3)cc1 ZINC000743370565 1129521900 /nfs/dbraw/zinc/52/19/00/1129521900.db2.gz PRTHWQIJZZAOMC-KRWDZBQOSA-N 0 1 298.430 3.635 20 0 CHADMN [O-]c1cccc(C[NH+]2C3CCCC2CCC3)c1Cl ZINC000646093345 1129522433 /nfs/dbraw/zinc/52/24/33/1129522433.db2.gz BZTLVRDWDMFVIA-UHFFFAOYSA-N 0 1 265.784 3.953 20 0 CHADMN C1=CCC2(CN(Cc3ccccn3)[C@H]2c2ccccc2)C1 ZINC000646116946 1129524511 /nfs/dbraw/zinc/52/45/11/1129524511.db2.gz KNNVYFMYGIPUPK-SFHVURJKSA-N 0 1 276.383 3.975 20 0 CHADMN Cc1nc([C@H](C)N2CC3(CC=CC3)[C@@H]2c2ccccc2)n[nH]1 ZINC000646118502 1129524774 /nfs/dbraw/zinc/52/47/74/1129524774.db2.gz LHGHDOKVXXVXEV-BBRMVZONSA-N 0 1 294.402 3.567 20 0 CHADMN Cc1ccc(C2(NCc3cccc(C)n3)CCC2)cc1 ZINC000646129600 1129525243 /nfs/dbraw/zinc/52/52/43/1129525243.db2.gz BECKGGITGJYZLD-UHFFFAOYSA-N 0 1 266.388 3.867 20 0 CHADMN Oc1cccc(CN2CC3(CCC3)[C@@H]2C2CC2)c1Cl ZINC000646205541 1129528347 /nfs/dbraw/zinc/52/83/47/1129528347.db2.gz SIEOPCMMOMKNRH-HNNXBMFYSA-N 0 1 277.795 3.810 20 0 CHADMN C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccc([O-])c1Cl ZINC000646193755 1129528429 /nfs/dbraw/zinc/52/84/29/1129528429.db2.gz DZEOYRZQIWHTQN-TZMCWYRMSA-N 0 1 297.826 3.561 20 0 CHADMN CCCCC[C@H](C)NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000303136628 1129529262 /nfs/dbraw/zinc/52/92/62/1129529262.db2.gz CXXCVTLMEHDTQV-DOTOQJQBSA-N 0 1 290.451 3.764 20 0 CHADMN C[C@H](CN1C[C@]2(CCCO2)[C@H]1C1CC1)c1ccc(F)cc1 ZINC000646295663 1129532036 /nfs/dbraw/zinc/53/20/36/1129532036.db2.gz NSUZUKGEIUBPJY-FSPWUOQZSA-N 0 1 289.394 3.573 20 0 CHADMN CC(C)n1cncc1CN1Cc2ccccc2[C@@H](C)C1 ZINC000822443175 1131380720 /nfs/dbraw/zinc/38/07/20/1131380720.db2.gz QPPSEKWAAGWZFM-AWEZNQCLSA-N 0 1 269.392 3.583 20 0 CHADMN COc1cc(-c2cc3[nH]cnc3cc2C)ccc1F ZINC001241418088 1129536825 /nfs/dbraw/zinc/53/68/25/1129536825.db2.gz ABCSVUXNTIECGW-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN Cc1sc(NC(=O)CN2CCCCCCC2)c(C)c1C ZINC000743835689 1129538223 /nfs/dbraw/zinc/53/82/23/1129538223.db2.gz IEOMQMXYBHFHCM-UHFFFAOYSA-N 0 1 294.464 3.878 20 0 CHADMN CC(C)c1ccc(NC(=O)[C@@H]2C[C@@H](C)Cc3cn[nH]c32)cc1 ZINC000646581390 1129540655 /nfs/dbraw/zinc/54/06/55/1129540655.db2.gz HTTKANQHBQHMAT-BLLLJJGKSA-N 0 1 297.402 3.838 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)CN2CCC(C)(C)C2)cc1 ZINC000743862418 1129540724 /nfs/dbraw/zinc/54/07/24/1129540724.db2.gz BXWGGYAQOJMWOW-AWEZNQCLSA-N 0 1 288.435 3.871 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2ccc(OC(C)C)cc2)n1 ZINC000647130685 1129551292 /nfs/dbraw/zinc/55/12/92/1129551292.db2.gz ZTUMJTUEENEZPE-CQSZACIVSA-N 0 1 289.379 3.570 20 0 CHADMN CC(C)Cc1ccc([C@H](C)c2nc([C@H]3CCCN3)no2)cc1 ZINC000647146527 1129551796 /nfs/dbraw/zinc/55/17/96/1129551796.db2.gz XNUNJFYAVBZRTO-XJKSGUPXSA-N 0 1 299.418 3.844 20 0 CHADMN C/C(=C\c1ccc(Cl)cc1)c1nc(C2(N)CCC2)no1 ZINC000647141460 1129551829 /nfs/dbraw/zinc/55/18/29/1129551829.db2.gz XNWSAOPTRIEWRW-MDZDMXLPSA-N 0 1 289.766 3.621 20 0 CHADMN C/C(=C/c1ccc(Cl)cc1)c1nc([C@H]2CCCN2)no1 ZINC000647146753 1129551849 /nfs/dbraw/zinc/55/18/49/1129551849.db2.gz BAFQDEXNVPSQAL-ASCRHOAZSA-N 0 1 289.766 3.708 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C[C@@H](C)CC(C)(C)C)n1 ZINC000647133293 1129552107 /nfs/dbraw/zinc/55/21/07/1129552107.db2.gz YEUOLCKKUOQQJN-VXGBXAGGSA-N 0 1 267.417 3.730 20 0 CHADMN Cc1ccc(-c2nc([C@@H]3CCCN3)no2)c(Cl)c1Cl ZINC000647144845 1129552235 /nfs/dbraw/zinc/55/22/35/1129552235.db2.gz HAKSZXSEIMRNGK-VIFPVBQESA-N 0 1 298.173 3.776 20 0 CHADMN Cc1ccc(C2(c3nc([C@H](N)CC(C)C)no3)CCC2)cc1 ZINC000647135019 1129552316 /nfs/dbraw/zinc/55/23/16/1129552316.db2.gz XWWDYRVZPUAGGI-OAHLLOKOSA-N 0 1 299.418 3.894 20 0 CHADMN CC(C)c1ccc(-c2nc([C@H]3CCCN3)no2)cc1Cl ZINC000647146356 1129552377 /nfs/dbraw/zinc/55/23/77/1129552377.db2.gz TUHBGKDRTGCFDT-CYBMUJFWSA-N 0 1 291.782 3.938 20 0 CHADMN Cc1cc(C)c(/C=C\c2nc([C@@H]3CCCN3)no2)cc1C ZINC000647152606 1129553217 /nfs/dbraw/zinc/55/32/17/1129553217.db2.gz JFALTYJZYUFCGP-XHPSBEMXSA-N 0 1 283.375 3.590 20 0 CHADMN CCn1nccc1CNC1(c2cccc(Cl)c2)CCC1 ZINC000647252177 1129560735 /nfs/dbraw/zinc/56/07/35/1129560735.db2.gz WGYLIHRJEOVPJF-UHFFFAOYSA-N 0 1 289.810 3.725 20 0 CHADMN Cc1[nH]ncc1[C@H](C)Nc1cnn(-c2cccc(C)c2)c1C ZINC000647327646 1129568871 /nfs/dbraw/zinc/56/88/71/1129568871.db2.gz DFYRJDYNNVAIGU-LBPRGKRZSA-N 0 1 295.390 3.694 20 0 CHADMN Cc1ncc([C@H](C)NC2(c3cccc(F)c3)CCC2)c(C)n1 ZINC000647331202 1129569428 /nfs/dbraw/zinc/56/94/28/1129569428.db2.gz WQFLBBKQQNXXMU-ZDUSSCGKSA-N 0 1 299.393 3.963 20 0 CHADMN CCCCCC[C@](C)(CC)C(=O)N1CCCN(C)CC1 ZINC000744344247 1129570402 /nfs/dbraw/zinc/57/04/02/1129570402.db2.gz WNTZKEAVPOGVEK-KRWDZBQOSA-N 0 1 282.472 3.537 20 0 CHADMN CC[C@H](C)C[C@@H](CO)N[C@H](C)c1csc(C(C)C)n1 ZINC000647336815 1129571306 /nfs/dbraw/zinc/57/13/06/1129571306.db2.gz GSOFQASPLOPFLT-XQQFMLRXSA-N 0 1 284.469 3.714 20 0 CHADMN Cc1cccc([C@H](C)N[C@H](CCO)c2ccccc2F)c1 ZINC000647346113 1129571746 /nfs/dbraw/zinc/57/17/46/1129571746.db2.gz RJTOGYUYVBZVML-KBXCAEBGSA-N 0 1 287.378 3.908 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccccc1F)c1ccccc1 ZINC000647344869 1129571850 /nfs/dbraw/zinc/57/18/50/1129571850.db2.gz AMEOIGJQGMHFMA-GUYCJALGSA-N 0 1 273.351 3.600 20 0 CHADMN CC[C@@H](N[C@@H](CCO)c1ccccc1F)c1ccccc1 ZINC000647346699 1129572683 /nfs/dbraw/zinc/57/26/83/1129572683.db2.gz ZQHJZUSTBIFBFJ-MSOLQXFVSA-N 0 1 287.378 3.990 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccccc1F)c1ccc(F)cc1 ZINC000647346397 1129572788 /nfs/dbraw/zinc/57/27/88/1129572788.db2.gz VPMSFRLMSYKLBA-PXAZEXFGSA-N 0 1 291.341 3.739 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccccc1F)c1ccc(F)cc1 ZINC000647346400 1129572813 /nfs/dbraw/zinc/57/28/13/1129572813.db2.gz VPMSFRLMSYKLBA-YVEFUNNKSA-N 0 1 291.341 3.739 20 0 CHADMN C[C@H](NC1(c2cccc(Cl)c2)CCC1)c1cnn(C)c1 ZINC000647349379 1129573727 /nfs/dbraw/zinc/57/37/27/1129573727.db2.gz MWRKOHQGDDZAEB-LBPRGKRZSA-N 0 1 289.810 3.804 20 0 CHADMN CC[C@H]1C[C@H](C)CN1CN1c2cccc3cccc(c23)C1=O ZINC000744444113 1129577605 /nfs/dbraw/zinc/57/76/05/1129577605.db2.gz QXYCEZSLGXSSQC-ZFWWWQNUSA-N 0 1 294.398 3.878 20 0 CHADMN O=C(Cc1[nH]nc2ccccc21)OCCC1CCCCC1 ZINC000744855197 1129588361 /nfs/dbraw/zinc/58/83/61/1129588361.db2.gz TWIMPQFKGDQNNX-UHFFFAOYSA-N 0 1 286.375 3.619 20 0 CHADMN Fc1cccc(CN2CCC[C@@H](c3ccccn3)C2)c1F ZINC000647950311 1129588848 /nfs/dbraw/zinc/58/88/48/1129588848.db2.gz SOGCFWBAAJLNTC-CYBMUJFWSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1nc(CN(C)CC(C)(C)c2ccc(C)cc2)co1 ZINC000647965084 1129590416 /nfs/dbraw/zinc/59/04/16/1129590416.db2.gz GFKGAPDNKNYMTO-UHFFFAOYSA-N 0 1 272.392 3.701 20 0 CHADMN CC(C)Cn1nccc1CN(C)[C@H](C)c1ccccc1 ZINC000647999333 1129590866 /nfs/dbraw/zinc/59/08/66/1129590866.db2.gz BJCZTCKGDBYJIV-OAHLLOKOSA-N 0 1 271.408 3.732 20 0 CHADMN CC(C)Cn1nccc1CN1CCC[C@H]1c1cccs1 ZINC000647999582 1129591417 /nfs/dbraw/zinc/59/14/17/1129591417.db2.gz QGVDQFOHDTZHSJ-HNNXBMFYSA-N 0 1 289.448 3.938 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C3(C)CC=CC3)c2C)o1 ZINC000822519951 1131384029 /nfs/dbraw/zinc/38/40/29/1131384029.db2.gz SKFKQIGQHMMMDM-UHFFFAOYSA-N 0 1 285.347 3.581 20 0 CHADMN Cc1ccc(CCCN2CCO[C@H](c3ccco3)C2)cc1 ZINC000181981550 1129593352 /nfs/dbraw/zinc/59/33/52/1129593352.db2.gz MSSCEEARMMZTBP-SFHVURJKSA-N 0 1 285.387 3.594 20 0 CHADMN CCCOc1ccc(CN2CC(C)(CC(F)F)C2)cc1 ZINC000648058592 1129593736 /nfs/dbraw/zinc/59/37/36/1129593736.db2.gz SJDSSMFCUMFTNN-UHFFFAOYSA-N 0 1 283.362 3.953 20 0 CHADMN CCc1ccc(CN2CC(C)(CC(F)F)C2)cc1 ZINC000648058540 1129593913 /nfs/dbraw/zinc/59/39/13/1129593913.db2.gz POGGTIBPGJMDGX-UHFFFAOYSA-N 0 1 253.336 3.726 20 0 CHADMN Cc1ccc(CN(Cc2ccsc2)CC2CC2)cn1 ZINC000648057809 1129594234 /nfs/dbraw/zinc/59/42/34/1129594234.db2.gz REJPETXZSQDTSJ-UHFFFAOYSA-N 0 1 272.417 3.864 20 0 CHADMN Cc1occc1CN[C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000648068769 1129595385 /nfs/dbraw/zinc/59/53/85/1129595385.db2.gz BLSYAPVBRVGJBS-SFHVURJKSA-N 0 1 297.398 3.748 20 0 CHADMN C[C@@H]1CN(Cc2scnc2C2CC2)CC2(CCCC2)O1 ZINC000648076932 1129597548 /nfs/dbraw/zinc/59/75/48/1129597548.db2.gz RNCXKBXKSWNCLK-GFCCVEGCSA-N 0 1 292.448 3.554 20 0 CHADMN CC(C)Oc1ccc(-c2cccn3cncc23)c(F)c1 ZINC001241656014 1129598353 /nfs/dbraw/zinc/59/83/53/1129598353.db2.gz FJHUOBDVYPQVNG-UHFFFAOYSA-N 0 1 270.307 3.928 20 0 CHADMN c1cc(-c2nc(CN3C4CCC3CC4)cs2)cs1 ZINC000648212283 1129599012 /nfs/dbraw/zinc/59/90/12/1129599012.db2.gz OJLRHFSJTMTEEU-UHFFFAOYSA-N 0 1 276.430 3.998 20 0 CHADMN COc1cc(-c2ccc3n[nH]c(C)c3c2)ccc1F ZINC001241668368 1129601508 /nfs/dbraw/zinc/60/15/08/1129601508.db2.gz MJMHOIDFDNLJMV-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CCN(CCC(F)(F)F)Cc1ccc(C)cc1OC ZINC000648365327 1129603668 /nfs/dbraw/zinc/60/36/68/1129603668.db2.gz BFTJSGCJIWEWHT-UHFFFAOYSA-N 0 1 275.314 3.778 20 0 CHADMN CCOc1ccccc1-c1cc2nc[nH]c2cc1OC ZINC001239558625 1131385448 /nfs/dbraw/zinc/38/54/48/1131385448.db2.gz CWDSCLDOOSKXHS-UHFFFAOYSA-N 0 1 268.316 3.637 20 0 CHADMN CCOc1ccc([C@H](C)NCc2cnc(CC)s2)cc1 ZINC000037924501 1129611135 /nfs/dbraw/zinc/61/11/35/1129611135.db2.gz OIKLZXOIZKPORV-LBPRGKRZSA-N 0 1 290.432 3.955 20 0 CHADMN FC(F)(F)c1cccnc1CNCC1=CCCCC1 ZINC000648633331 1129616826 /nfs/dbraw/zinc/61/68/26/1129616826.db2.gz FVEFGSGIHDHZAK-UHFFFAOYSA-N 0 1 270.298 3.690 20 0 CHADMN Cc1nc2cc(Nc3ccc4c(c3)C(=O)CC4)ccc2[nH]1 ZINC001213073190 1129623584 /nfs/dbraw/zinc/62/35/84/1129623584.db2.gz IRBCVOYNGVBCJP-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)CN2CCC[C@@H]2C)cc1 ZINC000746092600 1129625621 /nfs/dbraw/zinc/62/56/21/1129625621.db2.gz YPKXZNTWZGYQDN-KGLIPLIRSA-N 0 1 274.408 3.623 20 0 CHADMN CCCN(CC)CC(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000746108153 1129626456 /nfs/dbraw/zinc/62/64/56/1129626456.db2.gz XJVIWJAPOWMORD-AWEZNQCLSA-N 0 1 276.424 3.871 20 0 CHADMN CC1(C)CC[C@@H](CN[C@H](c2ccco2)c2ccccc2)O1 ZINC000187841716 1129636849 /nfs/dbraw/zinc/63/68/49/1129636849.db2.gz BMIRDHJHBRMJMV-RDJZCZTQSA-N 0 1 285.387 3.916 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N(Cc2ncccc2Br)C1 ZINC000379825925 1129638168 /nfs/dbraw/zinc/63/81/68/1129638168.db2.gz VBWVPFKWAJCWBG-VXGBXAGGSA-N 0 1 297.240 3.855 20 0 CHADMN Cc1cccc(Cl)c1CN[C@@](C)(CO)c1ccccc1 ZINC000649303382 1129640270 /nfs/dbraw/zinc/64/02/70/1129640270.db2.gz BZJZGQALBQLYJD-KRWDZBQOSA-N 0 1 289.806 3.646 20 0 CHADMN CSc1ccc([C@H](C)NCc2cc(C)ccn2)cc1 ZINC000380958735 1129642660 /nfs/dbraw/zinc/64/26/60/1129642660.db2.gz VYKCFUNGDBXEJL-ZDUSSCGKSA-N 0 1 272.417 3.963 20 0 CHADMN CCOc1ccc([C@H](C)NCc2ccc(COC)o2)cc1 ZINC000382503586 1129648937 /nfs/dbraw/zinc/64/89/37/1129648937.db2.gz NFDCXYPQIDWWKR-ZDUSSCGKSA-N 0 1 289.375 3.676 20 0 CHADMN Fc1ccc(CN2CC[C@H]3CCC[C@H]32)cc1Br ZINC000383136940 1129650265 /nfs/dbraw/zinc/65/02/65/1129650265.db2.gz WMLVOVSISUHADD-BXUZGUMPSA-N 0 1 298.199 3.963 20 0 CHADMN Fc1ccc(CN2CC[C@@H]3CCC[C@@H]32)cc1Br ZINC000383136942 1129650451 /nfs/dbraw/zinc/65/04/51/1129650451.db2.gz WMLVOVSISUHADD-FZMZJTMJSA-N 0 1 298.199 3.963 20 0 CHADMN CCOc1ccc(-c2nc[nH]c3nc(=S)sc2-3)cc1 ZINC001239562935 1131388287 /nfs/dbraw/zinc/38/82/87/1131388287.db2.gz SMYONZFQPGTJRR-UHFFFAOYSA-N 0 1 289.385 3.766 20 0 CHADMN CC[C@H](C)N(Cc1cc2n(n1)CCC2)Cc1ccccc1 ZINC000649481498 1129652488 /nfs/dbraw/zinc/65/24/88/1129652488.db2.gz JXCIPMYNKMVTFU-HNNXBMFYSA-N 0 1 283.419 3.630 20 0 CHADMN CC(C)Oc1ccnc(CNC(C)(C)c2ccccc2)c1 ZINC000649507851 1129655045 /nfs/dbraw/zinc/65/50/45/1129655045.db2.gz DIVQXKCGRJCMEG-UHFFFAOYSA-N 0 1 284.403 3.894 20 0 CHADMN c1c(CN2CCC[C@@]3(CC=CCC3)C2)nn2c1CCCC2 ZINC000649532760 1129655890 /nfs/dbraw/zinc/65/58/90/1129655890.db2.gz QDCXFDIIWIAXGS-SFHVURJKSA-N 0 1 285.435 3.542 20 0 CHADMN Cc1ccnc(CN[C@@H](C)c2cc(C)cc(C)c2)c1 ZINC000392834393 1129659899 /nfs/dbraw/zinc/65/98/99/1129659899.db2.gz ICTZWDYGIQWGEQ-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN CC(C)n1ccn(CN2CC[C@H](C)[C@@H](C)C2)c1=S ZINC000766379228 1129660883 /nfs/dbraw/zinc/66/08/83/1129660883.db2.gz BNJZRUQPFBIVQY-STQMWFEESA-N 0 1 267.442 3.535 20 0 CHADMN C[C@H]1CC[C@@H](c2ccccc2)N(Cc2cc3n(n2)CCC3)C1 ZINC000649610579 1129663165 /nfs/dbraw/zinc/66/31/65/1129663165.db2.gz VNIBTTZXCBCVMV-KXBFYZLASA-N 0 1 295.430 3.803 20 0 CHADMN CC[C@H](OCCN(C)Cc1ccc(C)cn1)c1ccccc1 ZINC000649621249 1129663948 /nfs/dbraw/zinc/66/39/48/1129663948.db2.gz PPBSKXHIRSSCGY-IBGZPJMESA-N 0 1 298.430 3.990 20 0 CHADMN Cc1nc2cc(N[C@@H](C)c3ccc(C)cn3)ccc2[nH]1 ZINC001168852606 1129676781 /nfs/dbraw/zinc/67/67/81/1129676781.db2.gz AHSGGYXDLKXVAG-NSHDSACASA-N 0 1 266.348 3.748 20 0 CHADMN Cc1cc([C@H]2CCCN2CC[C@H]2CC2(Cl)Cl)on1 ZINC000822583954 1131390012 /nfs/dbraw/zinc/39/00/12/1131390012.db2.gz XORORMZQKOOOBA-WDEREUQCSA-N 0 1 289.206 3.704 20 0 CHADMN CC(C)(C)c1nc(CNC2(C3CCC3)CC2)cs1 ZINC000649807261 1129678271 /nfs/dbraw/zinc/67/82/71/1129678271.db2.gz PCDJYYXHINIYRU-UHFFFAOYSA-N 0 1 264.438 3.863 20 0 CHADMN Cc1ccc([C@@H](C)Nc2cc(OCC3CC3)ccn2)nc1 ZINC001168851614 1129679842 /nfs/dbraw/zinc/67/98/42/1129679842.db2.gz OLVJQVYDVHZCRI-CYBMUJFWSA-N 0 1 283.375 3.747 20 0 CHADMN C[C@H](c1ccncc1)[N@@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000828524530 1131390128 /nfs/dbraw/zinc/39/01/28/1131390128.db2.gz MFNDPPJFXOEGIN-PWSUYJOCSA-N 0 1 273.207 3.658 20 0 CHADMN C[C@H](c1ccncc1)N(C)C[C@]1(C)CC1(Cl)Cl ZINC000828524530 1131390132 /nfs/dbraw/zinc/39/01/32/1131390132.db2.gz MFNDPPJFXOEGIN-PWSUYJOCSA-N 0 1 273.207 3.658 20 0 CHADMN Brc1cc2cncn2c(NCCC2CCC2)c1 ZINC001168890467 1129680537 /nfs/dbraw/zinc/68/05/37/1129680537.db2.gz DPRIWBWTOFAKOQ-UHFFFAOYSA-N 0 1 294.196 3.699 20 0 CHADMN CC(C)COc1cccc(-c2ccc(F)cc2O)n1 ZINC001242217504 1129683494 /nfs/dbraw/zinc/68/34/94/1129683494.db2.gz IJWGDDAMBBSZBK-UHFFFAOYSA-N 0 1 261.296 3.628 20 0 CHADMN FC(F)Oc1ccccc1CN1CC[C@@]2(CC2(F)F)C1 ZINC000649899828 1129684105 /nfs/dbraw/zinc/68/41/05/1129684105.db2.gz OHWKONDTISFZBP-CYBMUJFWSA-N 0 1 289.272 3.519 20 0 CHADMN FC(F)Oc1ccccc1CN1CC[C@]2(CC2(F)F)C1 ZINC000649899829 1129684242 /nfs/dbraw/zinc/68/42/42/1129684242.db2.gz OHWKONDTISFZBP-ZDUSSCGKSA-N 0 1 289.272 3.519 20 0 CHADMN Cc1ccc(CN(C)CCSc2ccccc2F)nc1 ZINC000649898808 1129684599 /nfs/dbraw/zinc/68/45/99/1129684599.db2.gz AJZXTXXEXYILGG-UHFFFAOYSA-N 0 1 290.407 3.753 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CC[C@@]2(CC2(F)F)C1 ZINC000649902858 1129685407 /nfs/dbraw/zinc/68/54/07/1129685407.db2.gz GNRCFJLCBLIDOZ-NOZJJQNGSA-N 0 1 273.273 3.757 20 0 CHADMN FC1(F)C[C@]12CCN(Cc1ccc(Cl)cc1)C2 ZINC000649901027 1129685651 /nfs/dbraw/zinc/68/56/51/1129685651.db2.gz FBRQCAMYMXTSEG-LBPRGKRZSA-N 0 1 257.711 3.571 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@]2(CC2(F)F)C1 ZINC000649903615 1129685916 /nfs/dbraw/zinc/68/59/16/1129685916.db2.gz REFSWTHVMXSESN-RNCFNFMXSA-N 0 1 273.273 3.757 20 0 CHADMN CCOC(=O)/C=C/CN[C@H](C)c1oc2ccccc2c1C ZINC001168984051 1129687024 /nfs/dbraw/zinc/68/70/24/1129687024.db2.gz ZJUGGLVASJBRNY-UTSBKAFOSA-N 0 1 287.359 3.511 20 0 CHADMN C[C@@H](Cc1cccc(Cl)c1)N1CCC[C@@H]1CF ZINC001258752462 1129690296 /nfs/dbraw/zinc/69/02/96/1129690296.db2.gz DZJOPAFJXYQNEA-SMDDNHRTSA-N 0 1 255.764 3.705 20 0 CHADMN CCCCOC(=O)[C@H](C)N(CCC)CCc1cccs1 ZINC001169033141 1129690588 /nfs/dbraw/zinc/69/05/88/1129690588.db2.gz OZAFIYNHGNFLIR-AWEZNQCLSA-N 0 1 297.464 3.734 20 0 CHADMN CC(C)C[C@@H](Cc1ccccc1)N(C)Cc1ccon1 ZINC001169083835 1129698482 /nfs/dbraw/zinc/69/84/82/1129698482.db2.gz GZLCTOGKYJONOI-KRWDZBQOSA-N 0 1 272.392 3.764 20 0 CHADMN CCC(C)(C)CCN1CCO[C@@H](COc2ccccc2)C1 ZINC001169234946 1129711440 /nfs/dbraw/zinc/71/14/40/1129711440.db2.gz ZFLOUXAXJIEIJG-QGZVFWFLSA-N 0 1 291.435 3.593 20 0 CHADMN CCC(C)(C)CCN1CCO[C@H](COc2ccccc2)C1 ZINC001169234945 1129711760 /nfs/dbraw/zinc/71/17/60/1129711760.db2.gz ZFLOUXAXJIEIJG-KRWDZBQOSA-N 0 1 291.435 3.593 20 0 CHADMN Cn1c(CNC(C)(C)c2ccc(F)cc2)nc2ccccc21 ZINC000103173141 1129718953 /nfs/dbraw/zinc/71/89/53/1129718953.db2.gz ULABBUFDWNMBNS-UHFFFAOYSA-N 0 1 297.377 3.737 20 0 CHADMN Cc1nc2cncc(N[C@H]3C[C@H](C)c4ccccc43)c2[nH]1 ZINC001169382666 1129720681 /nfs/dbraw/zinc/72/06/81/1129720681.db2.gz XFTGUKXRUUPGSH-HZMBPMFUSA-N 0 1 278.359 3.927 20 0 CHADMN CC1(NCc2ccsc2Cl)CC(F)(F)C1 ZINC000720937407 1129720830 /nfs/dbraw/zinc/72/08/30/1129720830.db2.gz NKGCJKVYKSVNOJ-UHFFFAOYSA-N 0 1 251.729 3.679 20 0 CHADMN Cc1cc(-c2cccc(CN(C)C)c2F)ccc1N(C)C ZINC001242241502 1129723634 /nfs/dbraw/zinc/72/36/34/1129723634.db2.gz IPYSANFBUMVSGW-UHFFFAOYSA-N 0 1 286.394 3.929 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1cc(C2CC2)ccc1F ZINC000651377114 1129738114 /nfs/dbraw/zinc/73/81/14/1129738114.db2.gz FECBYPZFTLCWEX-JTQLQIEISA-N 0 1 273.355 3.585 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000651357673 1129738294 /nfs/dbraw/zinc/73/82/94/1129738294.db2.gz NNMVLWMPRJKILP-XXFAHNHDSA-N 0 1 291.345 3.725 20 0 CHADMN COC[C@@]12CCC[C@@H]1CN(Cc1ccc(Cl)cc1F)C2 ZINC001137659309 1131394801 /nfs/dbraw/zinc/39/48/01/1131394801.db2.gz QMHNQLNMXSUIDN-CJNGLKHVSA-N 0 1 297.801 3.728 20 0 CHADMN Cc1cnc([C@H](C)NCc2nc(C(C)C)n3ccccc23)o1 ZINC000651756771 1129747589 /nfs/dbraw/zinc/74/75/89/1129747589.db2.gz IKGDCGAWAYTMPT-ZDUSSCGKSA-N 0 1 298.390 3.605 20 0 CHADMN CCc1nnc(CNC2CCC(CC)(CC)CC2)s1 ZINC000651813834 1129749381 /nfs/dbraw/zinc/74/93/81/1129749381.db2.gz ACSFJCRQPBUYKY-UHFFFAOYSA-N 0 1 281.469 3.939 20 0 CHADMN C[C@H](O)[C@H](NCc1ccccc1C1CC1)c1ccccc1F ZINC000651892659 1129751233 /nfs/dbraw/zinc/75/12/33/1129751233.db2.gz FZUJXGQFOQUCRO-DJJJIMSYSA-N 0 1 299.389 3.915 20 0 CHADMN C=Cn1cc(CN(C)[C@@H](C)CSc2ccccc2)cn1 ZINC000651875393 1129751493 /nfs/dbraw/zinc/75/14/93/1129751493.db2.gz CVDLSXNCWKIDPM-AWEZNQCLSA-N 0 1 287.432 3.596 20 0 CHADMN C[C@H]1CN(Cc2cccc3nsnc32)Cc2ccccc21 ZINC000766828815 1129755787 /nfs/dbraw/zinc/75/57/87/1129755787.db2.gz JLWIRNFXPJOMPY-LBPRGKRZSA-N 0 1 295.411 3.811 20 0 CHADMN Fc1ccc(/C=C\C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000652063060 1129757011 /nfs/dbraw/zinc/75/70/11/1129757011.db2.gz CKWIMUGSUVYITN-DDGIKZQJSA-N 0 1 267.294 3.570 20 0 CHADMN CSc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)s1 ZINC000652064657 1129757101 /nfs/dbraw/zinc/75/71/01/1129757101.db2.gz WRIZGHCTKIDUEP-NSHDSACASA-N 0 1 275.389 3.701 20 0 CHADMN C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000652069975 1129757328 /nfs/dbraw/zinc/75/73/28/1129757328.db2.gz DCXKVUBJHFXSSK-QSGXVVIFSA-N 0 1 271.404 3.637 20 0 CHADMN COc1ccc([C@@H](NCC[C@@H](C)F)c2ccccn2)cc1 ZINC000652202123 1129759257 /nfs/dbraw/zinc/75/92/57/1129759257.db2.gz ATHYUENPFJPIMG-CXAGYDPISA-N 0 1 288.366 3.517 20 0 CHADMN Cc1ccccc1C1(N[C@H]2C[C@@H](C)n3ccnc32)CCC1 ZINC000652216791 1129760002 /nfs/dbraw/zinc/76/00/02/1129760002.db2.gz GNNGKUPODFFFJU-ZBFHGGJFSA-N 0 1 281.403 3.866 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cccc3ccsc32)c2nccn21 ZINC000652219549 1129760009 /nfs/dbraw/zinc/76/00/09/1129760009.db2.gz DDZRGOCPWTZXPG-BXUZGUMPSA-N 0 1 283.400 3.893 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2C[C@H]2c2ccccc2C)cs1 ZINC000652239848 1129760954 /nfs/dbraw/zinc/76/09/54/1129760954.db2.gz GSVBGDQIWIBUQV-TUKIKUTGSA-N 0 1 272.417 3.967 20 0 CHADMN C[C@@H](N[C@H]1CC(C)(C)Oc2ccc(F)cc21)c1cn[nH]c1 ZINC000652267279 1129761736 /nfs/dbraw/zinc/76/17/36/1129761736.db2.gz QIUDPBZKKBHPMW-YGRLFVJLSA-N 0 1 289.354 3.502 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000652389341 1129764230 /nfs/dbraw/zinc/76/42/30/1129764230.db2.gz PPVNXIVIMFXWQI-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN O=C([O-])c1ccccc1CC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000652399405 1129765125 /nfs/dbraw/zinc/76/51/25/1129765125.db2.gz HKMYRKBFDLRPAG-QGZVFWFLSA-N 0 1 287.403 3.582 20 0 CHADMN C[C@@H]1CN(CCCc2ccccc2Cl)C[C@H](C2CC2)O1 ZINC001169891148 1129765118 /nfs/dbraw/zinc/76/51/18/1129765118.db2.gz VZSSYPUOHSMNPS-CXAGYDPISA-N 0 1 293.838 3.772 20 0 CHADMN O=C([O-])CCCCC[N@H+](Cc1ccccc1)CC1CCC1 ZINC000652401995 1129765304 /nfs/dbraw/zinc/76/53/04/1129765304.db2.gz LGEDSINYIATGTN-UHFFFAOYSA-N 0 1 289.419 3.934 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CC[C@H](OC(C)C)C1 ZINC001139012071 1129766332 /nfs/dbraw/zinc/76/63/32/1129766332.db2.gz WMLCEXGJVCXZOP-HNNXBMFYSA-N 0 1 297.826 3.738 20 0 CHADMN Cc1cc2cc(CNCc3cc(C)oc3C)ccc2[nH]1 ZINC000796528855 1129775231 /nfs/dbraw/zinc/77/52/31/1129775231.db2.gz YJZSYFYXDLFXOP-UHFFFAOYSA-N 0 1 268.360 3.976 20 0 CHADMN F[C@H]1CSC2(CN(Cc3cc4ccccc4s3)C2)C1 ZINC001137686152 1131401344 /nfs/dbraw/zinc/40/13/44/1131401344.db2.gz CODIBWSFFOVSNJ-GFCCVEGCSA-N 0 1 293.432 3.931 20 0 CHADMN CCOc1cccc(Cl)c1CN(CC)C[C@@H]1CCOC1 ZINC000653498037 1129781667 /nfs/dbraw/zinc/78/16/67/1129781667.db2.gz FEVZJBVUUYFDME-ZDUSSCGKSA-N 0 1 297.826 3.597 20 0 CHADMN CC/C=C/CCN(C)CC(=O)Nc1ccccc1Cl ZINC000767292487 1129784990 /nfs/dbraw/zinc/78/49/90/1129784990.db2.gz GAZJHHYIBGEGCS-SNAWJCMRSA-N 0 1 280.799 3.567 20 0 CHADMN Cc1cc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)c(C)o1 ZINC000767374504 1129789774 /nfs/dbraw/zinc/78/97/74/1129789774.db2.gz IRELEHIQKXLHDO-HNNXBMFYSA-N 0 1 275.396 3.507 20 0 CHADMN CC[C@@H](NCc1ccnn1C(C)C)c1ccccc1F ZINC000653791114 1129794974 /nfs/dbraw/zinc/79/49/74/1129794974.db2.gz FVZOMOOPWSOLEM-MRXNPFEDSA-N 0 1 275.371 3.844 20 0 CHADMN C[C@H](N[C@@H](C)C1CCC(F)(F)CC1)c1nc(C2CC2)no1 ZINC000653868414 1129798566 /nfs/dbraw/zinc/79/85/66/1129798566.db2.gz AQSSIZFANBXRAJ-UWVGGRQHSA-N 0 1 299.365 3.812 20 0 CHADMN CC(C)c1noc(CN2CCC[C@H]2CC2CCCC2)n1 ZINC000653893489 1129799994 /nfs/dbraw/zinc/79/99/94/1129799994.db2.gz AAXRMJMBGKKACM-AWEZNQCLSA-N 0 1 277.412 3.738 20 0 CHADMN CC(C)c1noc(CN2CCC[C@@H]2CC2CCCC2)n1 ZINC000653893490 1129800597 /nfs/dbraw/zinc/80/05/97/1129800597.db2.gz AAXRMJMBGKKACM-CQSZACIVSA-N 0 1 277.412 3.738 20 0 CHADMN CC/C=C/CCN[C@H](Cc1ccccc1)c1ncco1 ZINC000653913575 1129802263 /nfs/dbraw/zinc/80/22/63/1129802263.db2.gz VGYTWDIECUOVJO-QDLOVBKTSA-N 0 1 270.376 3.904 20 0 CHADMN FCCCCCN[C@H](Cc1ccccc1)c1ncco1 ZINC000653913503 1129802408 /nfs/dbraw/zinc/80/24/08/1129802408.db2.gz SZRMMWWXHZANPU-OAHLLOKOSA-N 0 1 276.355 3.688 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc(O)c2)cnc1Cl ZINC000767727578 1129810369 /nfs/dbraw/zinc/81/03/69/1129810369.db2.gz LSJRGHCXQMSVIB-NSHDSACASA-N 0 1 276.767 3.600 20 0 CHADMN CSC[C@H]1CCCN1Cn1c2ccccc2oc1=S ZINC000767777153 1129812986 /nfs/dbraw/zinc/81/29/86/1129812986.db2.gz XXAHQQOUXWJNET-LLVKDONJSA-N 0 1 294.445 3.749 20 0 CHADMN OCC[C@H](NCc1ccc(F)cc1Cl)c1cccs1 ZINC000767920686 1129819143 /nfs/dbraw/zinc/81/91/43/1129819143.db2.gz OUEPYDJRZXJTOO-ZDUSSCGKSA-N 0 1 299.798 3.754 20 0 CHADMN [O-]c1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1Cl ZINC000767929819 1129821880 /nfs/dbraw/zinc/82/18/80/1129821880.db2.gz RAUUXNOSQDOQTC-CYBMUJFWSA-N 0 1 295.810 3.627 20 0 CHADMN C[C@H](NCc1cn(C)cn1)c1ccc(C(C)(C)C)cc1 ZINC000380399268 1129831198 /nfs/dbraw/zinc/83/11/98/1129831198.db2.gz ALTOKJKJZDOCHC-ZDUSSCGKSA-N 0 1 271.408 3.568 20 0 CHADMN C[C@H](NC[C@H](O)c1ccc2ccccc2c1)c1cscn1 ZINC000768105242 1129831994 /nfs/dbraw/zinc/83/19/94/1129831994.db2.gz KQVJCLGIWOKLMZ-SJCJKPOMSA-N 0 1 298.411 3.681 20 0 CHADMN CCc1nn(C)c(Cl)c1CN(C)C1CCC(C)CC1 ZINC000768197759 1129843757 /nfs/dbraw/zinc/84/37/57/1129843757.db2.gz NGEBBMKCBDNKEM-UHFFFAOYSA-N 0 1 283.847 3.646 20 0 CHADMN Cc1ccc(N2CCN(Cc3ccsc3)CC2)cc1C ZINC000768241192 1129844143 /nfs/dbraw/zinc/84/41/43/1129844143.db2.gz MJGOMBHTCICDGE-UHFFFAOYSA-N 0 1 286.444 3.687 20 0 CHADMN CCC[C@H](C)N(C)Cc1c(Cl)nc2ccccn21 ZINC000768337253 1129851748 /nfs/dbraw/zinc/85/17/48/1129851748.db2.gz CMAJAPIRBASGCC-NSHDSACASA-N 0 1 265.788 3.608 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccccn2)c(C)o1 ZINC000768361854 1129853128 /nfs/dbraw/zinc/85/31/28/1129853128.db2.gz XPAFNDMPUQSEJO-INIZCTEOSA-N 0 1 256.349 3.629 20 0 CHADMN CCC(CC)CN(CC)Cc1c(Cl)nc(Cl)n1C ZINC000768506507 1129859236 /nfs/dbraw/zinc/85/92/36/1129859236.db2.gz CPIXETUFIXYTCF-UHFFFAOYSA-N 0 1 292.254 3.985 20 0 CHADMN CC(C)N(Cc1c(Cl)nc2ccccn21)CC1CC1 ZINC000768674082 1129868964 /nfs/dbraw/zinc/86/89/64/1129868964.db2.gz LVZRSSKHWUSXBF-UHFFFAOYSA-N 0 1 277.799 3.608 20 0 CHADMN Cc1cc(C)c(NC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)c(C)c1 ZINC000900304707 1129877207 /nfs/dbraw/zinc/87/72/07/1129877207.db2.gz DSMNXRBEMGCAMY-BZNIZROVSA-N 0 1 297.402 3.640 20 0 CHADMN CN(C)Cc1ccc(N[C@H]2CCC23CCC3)cc1F ZINC000800489510 1129879748 /nfs/dbraw/zinc/87/97/48/1129879748.db2.gz YDFQJQHFOFFWSJ-HNNXBMFYSA-N 0 1 262.372 3.632 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H](F)c3ccccc3)cc2[nH]1 ZINC000768987217 1129884693 /nfs/dbraw/zinc/88/46/93/1129884693.db2.gz GZTCYLKJDPBTDL-HNNXBMFYSA-N 0 1 283.306 3.521 20 0 CHADMN CCCCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)[C@H](C)CC ZINC000900631772 1129888230 /nfs/dbraw/zinc/88/82/30/1129888230.db2.gz QIHSDKBWUJGROQ-ZENOOKHLSA-N 0 1 291.439 3.503 20 0 CHADMN c1oc(C2CC2)nc1CN1CCC[C@H](C2CCCC2)C1 ZINC001460951605 1129893212 /nfs/dbraw/zinc/89/32/12/1129893212.db2.gz SICBZPNQCCUNOM-HNNXBMFYSA-N 0 1 274.408 3.954 20 0 CHADMN CCN(Cc1occc1Br)[C@H](C)C(C)C ZINC000769154645 1129893809 /nfs/dbraw/zinc/89/38/09/1129893809.db2.gz SPFUUVNPARSHLB-SNVBAGLBSA-N 0 1 274.202 3.909 20 0 CHADMN CCC(CC)N(CC(C)C)C(=O)c1cc(C(F)F)[nH]n1 ZINC000900947556 1129905771 /nfs/dbraw/zinc/90/57/71/1129905771.db2.gz ULPGKBAZSOBGLO-UHFFFAOYSA-N 0 1 287.354 3.634 20 0 CHADMN CCN(Cc1ccccn1)Cc1cncc2ccccc21 ZINC000769402165 1129905866 /nfs/dbraw/zinc/90/58/66/1129905866.db2.gz CHKVZHOSMLOGIP-UHFFFAOYSA-N 0 1 277.371 3.652 20 0 CHADMN Cn1ccc(CN2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000769426518 1129908470 /nfs/dbraw/zinc/90/84/70/1129908470.db2.gz FBWDLTRSGXZZBR-INIZCTEOSA-N 0 1 276.330 3.640 20 0 CHADMN Cc1ccc(Cl)c(NC(=O)[C@H]2CC[C@@H]3CCCCN23)c1 ZINC000901082504 1129909276 /nfs/dbraw/zinc/90/92/76/1129909276.db2.gz WMISCJLQBOALEG-SWLSCSKDSA-N 0 1 292.810 3.604 20 0 CHADMN CCc1nn(C)c(Cl)c1CN1CCC[C@@](C)(CC)C1 ZINC000769445727 1129910088 /nfs/dbraw/zinc/91/00/88/1129910088.db2.gz IJBXZVZQJUTOQD-OAHLLOKOSA-N 0 1 283.847 3.648 20 0 CHADMN CCc1nn(C)c(Cl)c1CN1CCC[C@](C)(CC)C1 ZINC000769445726 1129910487 /nfs/dbraw/zinc/91/04/87/1129910487.db2.gz IJBXZVZQJUTOQD-HNNXBMFYSA-N 0 1 283.847 3.648 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1coc(C2CC2)n1 ZINC000769446681 1129910695 /nfs/dbraw/zinc/91/06/95/1129910695.db2.gz QOTPWBZEWXVXIG-XJKSGUPXSA-N 0 1 282.387 3.930 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1Cc1occc1Br ZINC000769447769 1129911033 /nfs/dbraw/zinc/91/10/33/1129911033.db2.gz LAXYEHHMHROYPJ-VHSXEESVSA-N 0 1 272.186 3.663 20 0 CHADMN CCCCn1nc(C)c(CN2C[C@H](C)C[C@@H]2C)c1Cl ZINC000769469824 1129912489 /nfs/dbraw/zinc/91/24/89/1129912489.db2.gz GNLMCDBARSPTPG-NEPJUHHUSA-N 0 1 283.847 3.875 20 0 CHADMN CC[C@@H]1CCCN1Cn1nc(Cl)c2ccccc21 ZINC000769649177 1129920474 /nfs/dbraw/zinc/92/04/74/1129920474.db2.gz OHLQSBWLMFGKRI-LLVKDONJSA-N 0 1 263.772 3.522 20 0 CHADMN CN(Cc1nncn1-c1ccccc1)C1CCCCCCC1 ZINC000769725625 1129921924 /nfs/dbraw/zinc/92/19/24/1129921924.db2.gz CRYIVNYJXVPSFL-UHFFFAOYSA-N 0 1 298.434 3.812 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000901451754 1129926194 /nfs/dbraw/zinc/92/61/94/1129926194.db2.gz KXHOCSIVRQGDIE-LXKVQUBZSA-N 0 1 277.364 3.532 20 0 CHADMN CO[C@H](CN1CCC(F)(F)CC1)c1ccc(Cl)cc1 ZINC000801555409 1129926919 /nfs/dbraw/zinc/92/69/19/1129926919.db2.gz NCBHZYNHHAGSOE-CYBMUJFWSA-N 0 1 289.753 3.759 20 0 CHADMN Cc1c(Cl)cccc1C[N@@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000901467591 1129927176 /nfs/dbraw/zinc/92/71/76/1129927176.db2.gz UTASIQBLKVWMKJ-INIZCTEOSA-N 0 1 295.810 3.581 20 0 CHADMN CC[C@@H](C[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1)c1ccccc1 ZINC000901465919 1129927621 /nfs/dbraw/zinc/92/76/21/1129927621.db2.gz ZDIAKBBEPAICFX-MAUKXSAKSA-N 0 1 289.419 3.613 20 0 CHADMN C/C(=C\c1ccccc1)C[N@@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000901463880 1129927766 /nfs/dbraw/zinc/92/77/66/1129927766.db2.gz AWNWGFOTMYTGCI-HAZIXKIPSA-N 0 1 287.403 3.523 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1ccc(C)c(OC)c1 ZINC000769876245 1129930416 /nfs/dbraw/zinc/93/04/16/1129930416.db2.gz ZXQLUUGCMPBXSQ-GFCCVEGCSA-N 0 1 288.391 3.713 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1ccc(C)s1 ZINC000769874374 1129930595 /nfs/dbraw/zinc/93/05/95/1129930595.db2.gz KCTSQCXHSDGCLJ-SNVBAGLBSA-N 0 1 264.394 3.766 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000901542611 1129935338 /nfs/dbraw/zinc/93/53/38/1129935338.db2.gz PNKOZQFCFBSPMA-JJRVBVJISA-N 0 1 281.440 3.636 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])[C@H](C)CCc1cccc(F)c1 ZINC000901593128 1129938904 /nfs/dbraw/zinc/93/89/04/1129938904.db2.gz NBURDKXIURFGJG-CQSZACIVSA-N 0 1 295.398 3.580 20 0 CHADMN C[C@@H]1CCC[C@@H](C[N@@H+](CC(=O)[O-])Cc2ccc(F)cc2)C1 ZINC000901624427 1129939186 /nfs/dbraw/zinc/93/91/86/1129939186.db2.gz TZFKNLRNMVJLOV-UKRRQHHQSA-N 0 1 293.382 3.539 20 0 CHADMN C[C@H](C[N@@H+](CCC(=O)[O-])CC1CC1)c1cccc(Cl)c1 ZINC000901614972 1129939308 /nfs/dbraw/zinc/93/93/08/1129939308.db2.gz RAVGITWSGVJHOF-GFCCVEGCSA-N 0 1 295.810 3.630 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000901645882 1129940909 /nfs/dbraw/zinc/94/09/09/1129940909.db2.gz GFQYKQRBPRPJQJ-TZMCWYRMSA-N 0 1 273.376 3.527 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)/C=C/C3CCCCC3)ccc12 ZINC000770257998 1129943486 /nfs/dbraw/zinc/94/34/86/1129943486.db2.gz NAPQECQIXGIZME-JXMROGBWSA-N 0 1 283.375 3.946 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)/C=C3\CC[C@H](C)C3)ccc12 ZINC000770256274 1129943528 /nfs/dbraw/zinc/94/35/28/1129943528.db2.gz BMLVAYYOQRPPDM-MJWAUXSNSA-N 0 1 269.348 3.556 20 0 CHADMN CC1=C[C@H](C)C[C@@H](C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)C1 ZINC000901746649 1129949185 /nfs/dbraw/zinc/94/91/85/1129949185.db2.gz VEDALBYLSAJCSO-DZGCQCFKSA-N 0 1 299.414 3.735 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1cnc(Cl)c(C)c1 ZINC000770747761 1129958355 /nfs/dbraw/zinc/95/83/55/1129958355.db2.gz CVSGMOTYIDKQPG-GFCCVEGCSA-N 0 1 275.783 3.598 20 0 CHADMN CC(C)(C)SCCN1CCc2ccc(F)cc2C1 ZINC000801934203 1129961548 /nfs/dbraw/zinc/96/15/48/1129961548.db2.gz JPPNISFVMJLYDP-UHFFFAOYSA-N 0 1 267.413 3.716 20 0 CHADMN CC1=C[C@@H](C)C[C@H](C[N@H+]2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)C1 ZINC000901917884 1129966255 /nfs/dbraw/zinc/96/62/55/1129966255.db2.gz MXWOYELERUIQJV-VKZRIFJHSA-N 0 1 291.435 3.556 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000901997010 1129970364 /nfs/dbraw/zinc/97/03/64/1129970364.db2.gz KSPOVNOTQAPPEY-MJSXRHKHSA-N 0 1 291.366 3.558 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)s2)[C@H](C(=O)[O-])C1 ZINC000902010874 1129971208 /nfs/dbraw/zinc/97/12/08/1129971208.db2.gz DPWUGEJZTFSGRC-YPMHNXCESA-N 0 1 295.448 3.731 20 0 CHADMN Cc1cc(C)c(/C=C/C[N@H+]2CCC[C@@H]2CC(=O)[O-])c(C)c1 ZINC000902007493 1129971419 /nfs/dbraw/zinc/97/14/19/1129971419.db2.gz KRCNRTXHRIJHOM-BIENSFFJSA-N 0 1 287.403 3.564 20 0 CHADMN O=C([O-])[C@@H]1CCCCC[N@H+]1Cc1cc2ccccc2s1 ZINC000902038869 1129973136 /nfs/dbraw/zinc/97/31/36/1129973136.db2.gz FIKLKMUZALHYJK-AWEZNQCLSA-N 0 1 289.400 3.731 20 0 CHADMN O=C([O-])C[N@@H+](Cc1ccc(-c2ccccc2)o1)C1CCCC1 ZINC000902039700 1129973167 /nfs/dbraw/zinc/97/31/67/1129973167.db2.gz KTVLSXUVAFWBFQ-UHFFFAOYSA-N 0 1 299.370 3.776 20 0 CHADMN CNc1ccc(C)cc1CN[C@H](C)c1ccccc1OC ZINC000902035453 1129973484 /nfs/dbraw/zinc/97/34/84/1129973484.db2.gz OKZOWJXCASUWRO-CQSZACIVSA-N 0 1 284.403 3.896 20 0 CHADMN CNc1ccccc1CNCc1ccccc1OC(F)F ZINC000902041977 1129974019 /nfs/dbraw/zinc/97/40/19/1129974019.db2.gz OTJODSFPEXLQAB-UHFFFAOYSA-N 0 1 292.329 3.620 20 0 CHADMN Cc1cnc([C@@H](C)N2CCCN(c3ccc(C)cc3)CC2)o1 ZINC000771442602 1129981066 /nfs/dbraw/zinc/98/10/66/1129981066.db2.gz IVMNOWDVBNBZBY-MRXNPFEDSA-N 0 1 299.418 3.565 20 0 CHADMN C[C@@H]1CC/C(=C\C(=O)Nc2cc(F)cc(Cl)c2O)C1 ZINC000771508390 1129983298 /nfs/dbraw/zinc/98/32/98/1129983298.db2.gz DYHHETCZEKSQLZ-CBVZUMJXSA-N 0 1 283.730 3.870 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C[C@@H](C)C3CC3)c2C)o1 ZINC000771660241 1129987000 /nfs/dbraw/zinc/98/70/00/1129987000.db2.gz UVXVTBSJGAWVHU-SECBINFHSA-N 0 1 287.363 3.661 20 0 CHADMN CNc1ccc(C)cc1CN[C@H](C)c1cccc(O)c1 ZINC000902199858 1129987700 /nfs/dbraw/zinc/98/77/00/1129987700.db2.gz YXQUJBHKOITEAL-CYBMUJFWSA-N 0 1 270.376 3.593 20 0 CHADMN C[C@H](NCc1nc2c(s1)CCC2)c1ccc2c(c1)CCC2 ZINC000771825177 1129991036 /nfs/dbraw/zinc/99/10/36/1129991036.db2.gz YPVFHBVXEDKELN-LBPRGKRZSA-N 0 1 298.455 3.971 20 0 CHADMN CNc1ccc(C)cc1CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000902236117 1129992648 /nfs/dbraw/zinc/99/26/48/1129992648.db2.gz UCZVPJKYYRWQIU-AWEZNQCLSA-N 0 1 286.423 3.665 20 0 CHADMN CCc1oc(C[N@H+]2CCC[C@@H](C(C)C)CC2)cc1C(=O)[O-] ZINC000902257598 1129994350 /nfs/dbraw/zinc/99/43/50/1129994350.db2.gz ADOUNPCHJJURNP-CYBMUJFWSA-N 0 1 293.407 3.798 20 0 CHADMN Cc1ncc(CCNc2ccnc3cc(F)ccc32)s1 ZINC000771927751 1129995149 /nfs/dbraw/zinc/99/51/49/1129995149.db2.gz OBJXLJHBQJOXDN-UHFFFAOYSA-N 0 1 287.363 3.793 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000902327863 1129999656 /nfs/dbraw/zinc/99/96/56/1129999656.db2.gz XSELRACMLAPVPV-UHFFFAOYSA-N 0 1 297.354 3.576 20 0 CHADMN CNc1ccc(C)cc1CN[C@H]1COc2ccc(C)cc21 ZINC000902330984 1130000446 /nfs/dbraw/zinc/00/04/46/1130000446.db2.gz QYFWOURCYHZSCT-KRWDZBQOSA-N 0 1 282.387 3.568 20 0 CHADMN CC[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC000902401526 1130007024 /nfs/dbraw/zinc/00/70/24/1130007024.db2.gz UCVNWFUAJMIANZ-ZDUSSCGKSA-N 0 1 299.370 3.877 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000902452277 1130013161 /nfs/dbraw/zinc/01/31/61/1130013161.db2.gz ZECLVOJRLHZAKC-LJTDUEICSA-N 0 1 291.391 3.636 20 0 CHADMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])c(CC)o1 ZINC000902521467 1130019924 /nfs/dbraw/zinc/01/99/24/1130019924.db2.gz PKHJIPMJXPUDBG-DOMZBBRYSA-N 0 1 293.407 3.941 20 0 CHADMN C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000902523429 1130020471 /nfs/dbraw/zinc/02/04/71/1130020471.db2.gz KCOVFYRHXYENOZ-JSGCOSHPSA-N 0 1 293.382 3.504 20 0 CHADMN CCN(C)c1ccccc1CN[C@H](C)c1cnccc1C ZINC000772455212 1130022153 /nfs/dbraw/zinc/02/21/53/1130022153.db2.gz KEKMITMFUJHKHF-OAHLLOKOSA-N 0 1 283.419 3.697 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902553322 1130023780 /nfs/dbraw/zinc/02/37/80/1130023780.db2.gz KDQBCOBXAKEPFG-LBPRGKRZSA-N 0 1 299.370 3.875 20 0 CHADMN CSc1cc(CN[C@@H](C)c2ccc(Cl)nc2)ccn1 ZINC000772467590 1130024214 /nfs/dbraw/zinc/02/42/14/1130024214.db2.gz AKOZGDCQJWMSKT-JTQLQIEISA-N 0 1 293.823 3.703 20 0 CHADMN CC(=O)c1ccc(-c2ccc(CN(C)C)c(F)c2)cc1 ZINC001239632012 1130024571 /nfs/dbraw/zinc/02/45/71/1130024571.db2.gz CQNNLPMXBAZMGL-UHFFFAOYSA-N 0 1 271.335 3.757 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000902560397 1130025177 /nfs/dbraw/zinc/02/51/77/1130025177.db2.gz SNNGALHVQRGRLH-QLFBSQMISA-N 0 1 269.429 3.636 20 0 CHADMN CNc1ccc(C)cc1CN[C@@H](c1ccccn1)C1CC1 ZINC000902654212 1130034165 /nfs/dbraw/zinc/03/41/65/1130034165.db2.gz GNOCWIYBQURTML-GOSISDBHSA-N 0 1 281.403 3.673 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1cc(Cl)cs1 ZINC000785508536 1130036378 /nfs/dbraw/zinc/03/63/78/1130036378.db2.gz SDBUCVIJPRKCKU-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN CCCCCCC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000785878383 1130058595 /nfs/dbraw/zinc/05/85/95/1130058595.db2.gz WSUIYNQQTKLJPV-UHFFFAOYSA-N 0 1 263.316 3.611 20 0 CHADMN Cc1ccccc1[C@H](CC(C)C)N[C@@H](C)c1cn(C)nn1 ZINC000902803405 1130060000 /nfs/dbraw/zinc/06/00/00/1130060000.db2.gz VEJJYZZNAOJZGK-HOCLYGCPSA-N 0 1 286.423 3.562 20 0 CHADMN Cc1cccc([C@@H](N[C@H](C)c2cn(C)nn2)C(C)(C)C)c1 ZINC000902832929 1130067193 /nfs/dbraw/zinc/06/71/93/1130067193.db2.gz SATIGCQQNRGXKV-CZUORRHYSA-N 0 1 286.423 3.562 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)O[C@H](C)C(C)C ZINC000772675333 1130070845 /nfs/dbraw/zinc/07/08/45/1130070845.db2.gz WZZODDBCJDQKKC-CYBMUJFWSA-N 0 1 286.375 3.895 20 0 CHADMN COc1ccc(-c2ccc3c(c2)C(C(C)C)=NCC3)cn1 ZINC001239728933 1130077534 /nfs/dbraw/zinc/07/75/34/1130077534.db2.gz WRCZIUBPYYTSQQ-UHFFFAOYSA-N 0 1 280.371 3.758 20 0 CHADMN Cc1ccc(N(C)C(=O)c2ccc3cncn3c2)cc1Cl ZINC000786168984 1130082267 /nfs/dbraw/zinc/08/22/67/1130082267.db2.gz QRLZVHFXZXZJNF-UHFFFAOYSA-N 0 1 299.761 3.573 20 0 CHADMN Nc1ccnc(-c2cncc(Oc3ccccc3)c2)c1 ZINC001239743298 1130084462 /nfs/dbraw/zinc/08/44/62/1130084462.db2.gz YGOTZXBJTVBCQT-UHFFFAOYSA-N 0 1 263.300 3.518 20 0 CHADMN Clc1ccc(CN[C@@H]2CCCc3n[nH]cc32)cc1Cl ZINC000689220959 1130091006 /nfs/dbraw/zinc/09/10/06/1130091006.db2.gz YCFWCJOZFZGEJN-CYBMUJFWSA-N 0 1 296.201 3.884 20 0 CHADMN F[C@@H]1CCCN(C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000902991324 1130096820 /nfs/dbraw/zinc/09/68/20/1130096820.db2.gz OKXUOZULZUUWQV-BRWVUGGUSA-N 0 1 277.383 3.731 20 0 CHADMN COc1ccc(C)cc1-c1ccc(CN(C)C)c(F)c1 ZINC001239770307 1130101644 /nfs/dbraw/zinc/10/16/44/1130101644.db2.gz NVLPJHQLBJRIAE-UHFFFAOYSA-N 0 1 273.351 3.871 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)O[C@@H](C)C(F)F ZINC000786516086 1130105591 /nfs/dbraw/zinc/10/55/91/1130105591.db2.gz UOOARPKCBXMWGY-JTQLQIEISA-N 0 1 294.301 3.504 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cn(C)nn1)c1cccc2ccccc21 ZINC000903095117 1130110990 /nfs/dbraw/zinc/11/09/90/1130110990.db2.gz UDHMHJQWKCLACF-SUMWQHHRSA-N 0 1 294.402 3.770 20 0 CHADMN Cc1cccc(F)c1CN[C@@H](c1ccccn1)C1CC1 ZINC000903102646 1130112721 /nfs/dbraw/zinc/11/27/21/1130112721.db2.gz ABFSNZHHYJTSQN-QGZVFWFLSA-N 0 1 270.351 3.770 20 0 CHADMN C[C@@H](N[C@H]1CCc2cccc3cccc1c32)c1ncc[nH]1 ZINC000903108034 1130114873 /nfs/dbraw/zinc/11/48/73/1130114873.db2.gz KVGQLYVYOBKJGN-WBMJQRKESA-N 0 1 277.371 3.901 20 0 CHADMN C[C@H](N[C@H]1CCc2cccc3cccc1c32)c1ncc[nH]1 ZINC000903108032 1130115004 /nfs/dbraw/zinc/11/50/04/1130115004.db2.gz KVGQLYVYOBKJGN-LRDDRELGSA-N 0 1 277.371 3.901 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cccc3cccc1c32)c1ncc[nH]1 ZINC000903108033 1130115055 /nfs/dbraw/zinc/11/50/55/1130115055.db2.gz KVGQLYVYOBKJGN-MLGOLLRUSA-N 0 1 277.371 3.901 20 0 CHADMN C=C(c1ccccc1)c1ccc(OC)c(CN(C)C)c1 ZINC001242892530 1130116203 /nfs/dbraw/zinc/11/62/03/1130116203.db2.gz CXBMABXCZAFCPB-UHFFFAOYSA-N 0 1 267.372 3.818 20 0 CHADMN C[C@@H](N[C@H](C)c1cnn(CC2CCC2)c1)c1ccoc1 ZINC000903124302 1130116765 /nfs/dbraw/zinc/11/67/65/1130116765.db2.gz FFTXOSDPWLJVEG-CHWSQXEVSA-N 0 1 273.380 3.688 20 0 CHADMN Cc1ccc(-c2nc[nH]c3nc(=S)sc2-3)c(C)c1 ZINC001239809201 1130117252 /nfs/dbraw/zinc/11/72/52/1130117252.db2.gz IRPIPORASNSPJW-UHFFFAOYSA-N 0 1 273.386 3.659 20 0 CHADMN COc1cccc(-c2ccc3nc(C)[nH]c3c2)c1OC ZINC001239814871 1130120166 /nfs/dbraw/zinc/12/01/66/1130120166.db2.gz LHVKDZBGTDCRHN-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN Cc1cscc1CN[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000903160309 1130120944 /nfs/dbraw/zinc/12/09/44/1130120944.db2.gz WFNICVSYSXFZMM-ZDUSSCGKSA-N 0 1 289.448 3.904 20 0 CHADMN CO[C@@H]1CCC[C@@H]1N[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000903165215 1130122166 /nfs/dbraw/zinc/12/21/66/1130122166.db2.gz PTWHSFAUQXOLEA-UHOSZYNNSA-N 0 1 296.414 3.637 20 0 CHADMN Fc1ccc(-c2nccs2)cc1CN1CCCCC1 ZINC001242897790 1130123960 /nfs/dbraw/zinc/12/39/60/1130123960.db2.gz KILLXYDXZVEGLU-UHFFFAOYSA-N 0 1 276.380 3.935 20 0 CHADMN COc1c(Cl)cccc1CN[C@H](C)c1cccc(O)c1 ZINC000903245555 1130135922 /nfs/dbraw/zinc/13/59/22/1130135922.db2.gz GOHDFYFNVNQLHV-LLVKDONJSA-N 0 1 291.778 3.905 20 0 CHADMN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1N[C@H](c1ccccc1)c1ccccn1 ZINC000903252476 1130136895 /nfs/dbraw/zinc/13/68/95/1130136895.db2.gz DFKGBQRHZRINSI-OMVTVGPASA-N 0 1 278.399 3.805 20 0 CHADMN Cc1nc(F)ccc1CN(C)Cc1cc2ccccc2o1 ZINC000787192749 1130139160 /nfs/dbraw/zinc/13/91/60/1130139160.db2.gz VIKLFWGPAHFALU-UHFFFAOYSA-N 0 1 284.334 3.907 20 0 CHADMN CCC[C@H](NCc1cnn(CCF)c1)c1ccsc1 ZINC000903274797 1130142729 /nfs/dbraw/zinc/14/27/29/1130142729.db2.gz SRELTBAWCRFSDX-AWEZNQCLSA-N 0 1 281.400 3.545 20 0 CHADMN c1c[nH]c([C@H](N[C@H]2CCCC3(CC3)C2)c2ccccc2)n1 ZINC000903278434 1130144235 /nfs/dbraw/zinc/14/42/35/1130144235.db2.gz DNUWGYXLUBAWBP-JKSUJKDBSA-N 0 1 281.403 3.812 20 0 CHADMN Clc1csc(CN2CCOCC3(CCCC3)C2)c1 ZINC000787275638 1130144755 /nfs/dbraw/zinc/14/47/55/1130144755.db2.gz NJAYPZNXFSJJNR-UHFFFAOYSA-N 0 1 285.840 3.794 20 0 CHADMN CC(C)CCC[C@@H](C)NCC(=O)c1cc(F)ccc1F ZINC001170071823 1130147098 /nfs/dbraw/zinc/14/70/98/1130147098.db2.gz WBBAPEQZMIVNQB-GFCCVEGCSA-N 0 1 283.362 3.952 20 0 CHADMN CCCC(C)(C)CC(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000787312212 1130147206 /nfs/dbraw/zinc/14/72/06/1130147206.db2.gz VSSKDQWWLOXTCU-UHFFFAOYSA-N 0 1 292.408 3.688 20 0 CHADMN COc1cc(C)ccc1[C@H](C)N[C@@H](C)c1cncs1 ZINC000903309393 1130150745 /nfs/dbraw/zinc/15/07/45/1130150745.db2.gz FINVVDPHMAAQCD-RYUDHWBXSA-N 0 1 276.405 3.872 20 0 CHADMN CCc1nc(C)c([C@@H](C)N[C@@H](C)c2cncs2)s1 ZINC000903309646 1130150815 /nfs/dbraw/zinc/15/08/15/1130150815.db2.gz GDRUKSIAPMHNNF-DTWKUNHWSA-N 0 1 281.450 3.882 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@H](C)c1cncs1 ZINC000903312880 1130152150 /nfs/dbraw/zinc/15/21/50/1130152150.db2.gz ZTBJEOIYFGTUQP-RKDXNWHRSA-N 0 1 268.407 3.625 20 0 CHADMN Cc1ccc(C2CC(N[C@@H](c3ncccn3)C3CC3)C2)cc1 ZINC000903326690 1130155242 /nfs/dbraw/zinc/15/52/42/1130155242.db2.gz MRAYHCXVLBLVJH-DAWZGUTISA-N 0 1 293.414 3.772 20 0 CHADMN Cc1cccnc1[C@@H](N[C@@H](C)c1ccnn1C)C(C)(C)C ZINC000903331613 1130158631 /nfs/dbraw/zinc/15/86/31/1130158631.db2.gz ZKUTUJNFTXYLBS-XJKSGUPXSA-N 0 1 286.423 3.562 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H](c1ccccn1)C1CC1 ZINC000903335448 1130160424 /nfs/dbraw/zinc/16/04/24/1130160424.db2.gz PGPDMRJRIBZWRY-XHDPSFHLSA-N 0 1 288.416 3.954 20 0 CHADMN Cc1cncc([C@H](C)N[C@@H](c2ccccn2)C2CC2)c1 ZINC000903336476 1130161158 /nfs/dbraw/zinc/16/11/58/1130161158.db2.gz ZFHORJAGHYUWLY-SUMWQHHRSA-N 0 1 267.376 3.587 20 0 CHADMN Fc1cccc2c1CC[C@@H]2N[C@H](c1ccccn1)C1CC1 ZINC000903341455 1130163115 /nfs/dbraw/zinc/16/31/15/1130163115.db2.gz YJXKJKCVMFIMQV-WMZOPIPTSA-N 0 1 282.362 3.949 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc2c(ccn2C)c1 ZINC001239942415 1130163085 /nfs/dbraw/zinc/16/30/85/1130163085.db2.gz YUXAEMOSQRYUGF-UHFFFAOYSA-N 0 1 277.327 3.730 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2N[C@H](c1ccccn1)C1CC1 ZINC000903341073 1130163402 /nfs/dbraw/zinc/16/34/02/1130163402.db2.gz VUFIOHHXUBOVRP-AEFFLSMTSA-N 0 1 282.362 3.949 20 0 CHADMN CCCCc1ccc([C@H](C)NCc2cn(C)cn2)cc1 ZINC000903353154 1130165387 /nfs/dbraw/zinc/16/53/87/1130165387.db2.gz ZNRXZBFUMKOWMD-AWEZNQCLSA-N 0 1 271.408 3.614 20 0 CHADMN C[C@@H](N[C@@H](C)COCC1CCCCC1)c1nccs1 ZINC000903353114 1130165648 /nfs/dbraw/zinc/16/56/48/1130165648.db2.gz BTTLRTRPGGJBGY-QWHCGFSZSA-N 0 1 282.453 3.779 20 0 CHADMN CCc1ccc2ccccc2c1C[N@@H+]([C@@H](C)C(=O)[O-])C1CC1 ZINC000903406009 1130171447 /nfs/dbraw/zinc/17/14/47/1130171447.db2.gz ZVVAAQVWJYQKOS-ZDUSSCGKSA-N 0 1 297.398 3.840 20 0 CHADMN CC[N@@H+](Cc1cc(Cl)cc2ccccc21)[C@H](C)C(=O)[O-] ZINC000903408760 1130171786 /nfs/dbraw/zinc/17/17/86/1130171786.db2.gz LJSOJUQMOBLDFG-LLVKDONJSA-N 0 1 291.778 3.788 20 0 CHADMN C[C@H](N[C@H](c1ccncc1)C1CC1)c1cccc(O)c1F ZINC000903428451 1130175527 /nfs/dbraw/zinc/17/55/27/1130175527.db2.gz HGUUKGZJOJEBJS-GTNSWQLSSA-N 0 1 286.350 3.728 20 0 CHADMN CC[C@@H](N[C@H](c1ccncc1)C1CC1)c1cccc(OC)n1 ZINC000903428064 1130175939 /nfs/dbraw/zinc/17/59/39/1130175939.db2.gz CJIUBLCAPCKZKN-QAPCUYQASA-N 0 1 297.402 3.677 20 0 CHADMN CC(C)(C)NC(=O)c1ccc(-c2nccc3[nH]ccc32)cc1 ZINC001239989515 1130183272 /nfs/dbraw/zinc/18/32/72/1130183272.db2.gz VHFQPHNWHZTRQP-UHFFFAOYSA-N 0 1 293.370 3.758 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000903594000 1130183474 /nfs/dbraw/zinc/18/34/74/1130183474.db2.gz AYWJBTJQIQBWEO-ZMSDIMECSA-N 0 1 289.419 3.592 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000903593999 1130183607 /nfs/dbraw/zinc/18/36/07/1130183607.db2.gz AYWJBTJQIQBWEO-YQQAZPJKSA-N 0 1 289.419 3.592 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000903595056 1130183681 /nfs/dbraw/zinc/18/36/81/1130183681.db2.gz JCJVWTINYAUVOF-GUYCJALGSA-N 0 1 285.387 3.771 20 0 CHADMN CCC[N@@H+](CCc1cccs1)[C@@H](C(=O)[O-])[C@@H](C)CC ZINC000903593984 1130183739 /nfs/dbraw/zinc/18/37/39/1130183739.db2.gz ASIJGPSODFELHL-GXTWGEPZSA-N 0 1 283.437 3.502 20 0 CHADMN CCC[N@@H+](CCc1cccc(F)c1)[C@H](C(=O)[O-])[C@H](C)CC ZINC000903597914 1130184005 /nfs/dbraw/zinc/18/40/05/1130184005.db2.gz PKVCOSOVQAZFCL-CJNGLKHVSA-N 0 1 295.398 3.580 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+]1CCCC2(CCCC2)CC1 ZINC000903602017 1130184334 /nfs/dbraw/zinc/18/43/34/1130184334.db2.gz LWELCTHRBBOZKM-KGLIPLIRSA-N 0 1 267.413 3.532 20 0 CHADMN C/C(=C\C[N@H+]1CC[C@H](c2ccc(C)cc2)C1(C)C)C(=O)[O-] ZINC000903611983 1130185097 /nfs/dbraw/zinc/18/50/97/1130185097.db2.gz PVVNDRPZUBXEMM-SCZPIIQISA-N 0 1 287.403 3.594 20 0 CHADMN C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCCCC(=O)[O-] ZINC000903632126 1130185488 /nfs/dbraw/zinc/18/54/88/1130185488.db2.gz SZJFAJSSJQBWGR-DOTOQJQBSA-N 0 1 289.419 3.900 20 0 CHADMN CCCC[N@@H+](C/C=C(\C)C(=O)[O-])Cc1c(C)oc(C)c1C ZINC000903635093 1130185646 /nfs/dbraw/zinc/18/56/46/1130185646.db2.gz CINJVWMXXPWLKF-XYOKQWHBSA-N 0 1 293.407 3.838 20 0 CHADMN COc1cc(F)ccc1-c1cc2nc[nH]c2c(C)c1 ZINC001239997335 1130186026 /nfs/dbraw/zinc/18/60/26/1130186026.db2.gz PXAODVHZUMAKBW-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN c1nc2cnc(-c3ccc(N4CCCCC4)cc3)cc2[nH]1 ZINC001240000360 1130187604 /nfs/dbraw/zinc/18/76/04/1130187604.db2.gz LJSPEWDQBOODNI-UHFFFAOYSA-N 0 1 278.359 3.615 20 0 CHADMN CC(C)C[C@]1(C)CCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000903690424 1130189528 /nfs/dbraw/zinc/18/95/28/1130189528.db2.gz YDJMBCZBDZTTDY-HNNXBMFYSA-N 0 1 281.421 3.847 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1cnn(Cc2ccccc2)c1 ZINC001240005284 1130189537 /nfs/dbraw/zinc/18/95/37/1130189537.db2.gz UOWQKTCYPYQABH-UHFFFAOYSA-N 0 1 292.317 3.614 20 0 CHADMN C[N@@H+](CCC1CCCCC1)CCC1(C(=O)[O-])CCC1 ZINC000903695806 1130189908 /nfs/dbraw/zinc/18/99/08/1130189908.db2.gz JMBNIXQSQKTVRK-UHFFFAOYSA-N 0 1 267.413 3.534 20 0 CHADMN C[C@@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)[C@@H]2CCCC[C@H]12 ZINC000903696301 1130189922 /nfs/dbraw/zinc/18/99/22/1130189922.db2.gz DWUVKKLFKPEDBE-RBSFLKMASA-N 0 1 279.424 3.532 20 0 CHADMN CC[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1cccc(Cl)c1 ZINC000903696357 1130190532 /nfs/dbraw/zinc/19/05/32/1130190532.db2.gz GLTAHIXLMYTZRR-UHFFFAOYSA-N 0 1 295.810 3.807 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3ccc(Cl)nc32)cc1F ZINC000788508902 1130191940 /nfs/dbraw/zinc/19/19/40/1130191940.db2.gz WBCYQJDWPUXWCL-CQSZACIVSA-N 0 1 290.769 3.960 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2C(C)C)C1 ZINC000903786950 1130197809 /nfs/dbraw/zinc/19/78/09/1130197809.db2.gz RAALZOMUCYHHPI-GOSISDBHSA-N 0 1 289.419 3.887 20 0 CHADMN CSCCCCc1noc(-c2ccc(Cl)cc2O)n1 ZINC000903785821 1130198249 /nfs/dbraw/zinc/19/82/49/1130198249.db2.gz QZUVQQQGHWVUEI-UHFFFAOYSA-N 0 1 298.795 3.781 20 0 CHADMN CSCCCCCCN[C@@H](C)c1cc(C)on1 ZINC000788739033 1130208101 /nfs/dbraw/zinc/20/81/01/1130208101.db2.gz MLRZNVVYVBRZTL-LBPRGKRZSA-N 0 1 256.415 3.557 20 0 CHADMN C[C@H](NCc1cc(F)c(Cl)cc1F)c1cc[nH]c(=O)c1 ZINC000788798251 1130209532 /nfs/dbraw/zinc/20/95/32/1130209532.db2.gz OXOVSZLEVWKCEH-QMMMGPOBSA-N 0 1 298.720 3.570 20 0 CHADMN Cc1ccc(C[N@@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]2C)cc1C ZINC000903948507 1130211159 /nfs/dbraw/zinc/21/11/59/1130211159.db2.gz FRBQTMRXQQTXCZ-QSJFSLAZSA-N 0 1 289.419 3.623 20 0 CHADMN CCOc1cccc(CN[C@@H]2c3ccccc3NC2(C)C)n1 ZINC000903948589 1130211883 /nfs/dbraw/zinc/21/18/83/1130211883.db2.gz RUMGHZRPSMBBBY-QGZVFWFLSA-N 0 1 297.402 3.515 20 0 CHADMN CC1CCC(C[N@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]2C)CC1 ZINC000903953279 1130212486 /nfs/dbraw/zinc/21/24/86/1130212486.db2.gz QFCQUWOWBLWBAG-PYGQZDJESA-N 0 1 281.440 3.632 20 0 CHADMN Cc1cccc(C)c1C[N@@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]1C ZINC000903951710 1130212871 /nfs/dbraw/zinc/21/28/71/1130212871.db2.gz VAZFRHHADNMLMN-HWMZRRJGSA-N 0 1 289.419 3.623 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCCc2ccsc2)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903954729 1130213571 /nfs/dbraw/zinc/21/35/71/1130213571.db2.gz ZKGYENBOTVVNJU-OSFYFWSMSA-N 0 1 295.448 3.500 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCCC2CCCC2)[C@H](C)[C@H]1C(=O)[O-] ZINC000903953784 1130213584 /nfs/dbraw/zinc/21/35/84/1130213584.db2.gz VEBAIZQITIKUMU-CTASWTNQSA-N 0 1 281.440 3.776 20 0 CHADMN O=C(c1ccccc1)c1ccc(-c2nccc3[nH]cnc32)cc1 ZINC001240135184 1130221506 /nfs/dbraw/zinc/22/15/06/1130221506.db2.gz GGUSFDLFUFCYDV-UHFFFAOYSA-N 0 1 299.333 3.856 20 0 CHADMN O=C(c1ccccc1)c1ccc(-c2[nH]ccc3ncnc2-3)cc1 ZINC001240135184 1130221512 /nfs/dbraw/zinc/22/15/12/1130221512.db2.gz GGUSFDLFUFCYDV-UHFFFAOYSA-N 0 1 299.333 3.856 20 0 CHADMN C[C@@H]1CCC[C@H](C)[C@H]1N[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC001170095940 1130225475 /nfs/dbraw/zinc/22/54/75/1130225475.db2.gz SGGLOSBAZIVTRD-PAPYEOQZSA-N 0 1 281.440 3.521 20 0 CHADMN Cn1ccc2cc(CN3CCc4sccc4C3)ccc21 ZINC001139186986 1130229776 /nfs/dbraw/zinc/22/97/76/1130229776.db2.gz AOAWYXGHUFSUKZ-UHFFFAOYSA-N 0 1 282.412 3.798 20 0 CHADMN Cc1ccc(-c2cccc3nc(C(F)(F)F)[nH]c32)cn1 ZINC001240225760 1130241604 /nfs/dbraw/zinc/24/16/04/1130241604.db2.gz HAIYEYBMJRJMIR-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN c1n[nH]cc1-c1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC001240242571 1130244430 /nfs/dbraw/zinc/24/44/30/1130244430.db2.gz CJPSJDZDVYJHNV-UHFFFAOYSA-N 0 1 275.355 3.593 20 0 CHADMN CCN(Cc1ccc(Cl)cc1Cl)[C@@H]1CCCOC1 ZINC001254389600 1130247297 /nfs/dbraw/zinc/24/72/97/1130247297.db2.gz QQFXHFQXFOPGTE-CYBMUJFWSA-N 0 1 288.218 3.994 20 0 CHADMN C[C@H](C(=O)Nc1ccc2ccccc2c1)N1C2CCC1CC2 ZINC000748814844 1130248164 /nfs/dbraw/zinc/24/81/64/1130248164.db2.gz FXYVQAOLGGSBGC-NLNFPOJYSA-N 0 1 294.398 3.794 20 0 CHADMN O[C@H](CN1CC[C@@H]1c1ccccc1)c1cccc(Cl)c1 ZINC000748820896 1130249370 /nfs/dbraw/zinc/24/93/70/1130249370.db2.gz XJXXBSKJZMUXRH-IAGOWNOFSA-N 0 1 287.790 3.820 20 0 CHADMN O[C@@H](CN1CC[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000748824906 1130249567 /nfs/dbraw/zinc/24/95/67/1130249567.db2.gz POHDNLZXIRKPLQ-IRXDYDNUSA-N 0 1 287.790 3.820 20 0 CHADMN O[C@@H](CN1CC[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000748824908 1130249592 /nfs/dbraw/zinc/24/95/92/1130249592.db2.gz POHDNLZXIRKPLQ-SJORKVTESA-N 0 1 287.790 3.820 20 0 CHADMN O=C(OC1(c2ccccc2)CC1)c1[nH]nc2c1CCCCC2 ZINC000789429601 1130250019 /nfs/dbraw/zinc/25/00/19/1130250019.db2.gz VAKBZLIURMKHCZ-UHFFFAOYSA-N 0 1 296.370 3.525 20 0 CHADMN c1ccc(Oc2cccc(-c3ncnc4c3CNC4)c2)cc1 ZINC001240271689 1130253606 /nfs/dbraw/zinc/25/36/06/1130253606.db2.gz OGLLVCWBWDYAFM-UHFFFAOYSA-N 0 1 289.338 3.539 20 0 CHADMN c1nc2ccc(-c3cccc4cncn43)cc2s1 ZINC001240346619 1130273707 /nfs/dbraw/zinc/27/37/07/1130273707.db2.gz IJTKVVXLDREIGP-UHFFFAOYSA-N 0 1 251.314 3.611 20 0 CHADMN Cc1c(CN2CCCc3ccccc3C2)nc2ccccn12 ZINC001137273885 1130280716 /nfs/dbraw/zinc/28/07/16/1130280716.db2.gz WXWBDNZZTHLJSY-UHFFFAOYSA-N 0 1 291.398 3.591 20 0 CHADMN Cc1ccc(-c2noc(CN3CCC[C@H](C4CC4)C3)n2)cc1 ZINC000677046955 1130284157 /nfs/dbraw/zinc/28/41/57/1130284157.db2.gz LGZOTURPTAHPHW-INIZCTEOSA-N 0 1 297.402 3.667 20 0 CHADMN Fc1cc2c(c(F)c1)CC[C@H]2NCc1ccsc1 ZINC000677043193 1130284819 /nfs/dbraw/zinc/28/48/19/1130284819.db2.gz OXZAJEOBRMYGSB-CQSZACIVSA-N 0 1 265.328 3.803 20 0 CHADMN COc1cnc(F)cc1C1=CCCN(Cc2ccccc2)C1 ZINC001240386812 1130286593 /nfs/dbraw/zinc/28/65/93/1130286593.db2.gz FXASBJPTRJJARX-UHFFFAOYSA-N 0 1 298.361 3.519 20 0 CHADMN Fc1cncc(C2=CCCN(Cc3ccccc3)C2)c1 ZINC001240387613 1130287445 /nfs/dbraw/zinc/28/74/45/1130287445.db2.gz QPTVKXXNJMANLK-UHFFFAOYSA-N 0 1 268.335 3.510 20 0 CHADMN Cc1sccc1C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000826848114 1130289715 /nfs/dbraw/zinc/28/97/15/1130289715.db2.gz MPHJZLNTPJFXMO-UHFFFAOYSA-N 0 1 292.379 3.510 20 0 CHADMN Cc1csc(C(=O)Nc2ccc(CN(C)C)c(F)c2)c1 ZINC000826847948 1130289899 /nfs/dbraw/zinc/28/98/99/1130289899.db2.gz KVAMEVYVNNJRJY-UHFFFAOYSA-N 0 1 292.379 3.510 20 0 CHADMN C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000826848570 1130290209 /nfs/dbraw/zinc/29/02/09/1130290209.db2.gz VWPPQKZGQUVDMO-YVEFUNNKSA-N 0 1 292.398 3.652 20 0 CHADMN CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000826848159 1130290215 /nfs/dbraw/zinc/29/02/15/1130290215.db2.gz NFUMNJBZXHOJCW-WFASDCNBSA-N 0 1 292.398 3.652 20 0 CHADMN Cc1nc2cccc(-c3cccc(C(C)(C)O)c3)c2[nH]1 ZINC001240407915 1130294660 /nfs/dbraw/zinc/29/46/60/1130294660.db2.gz RPQQSZZYLCLNHE-UHFFFAOYSA-N 0 1 266.344 3.766 20 0 CHADMN Fc1cccn2cc(CNC3(c4ccccc4)CCC3)nc12 ZINC000677321052 1130301514 /nfs/dbraw/zinc/30/15/14/1130301514.db2.gz KUPFPJOVIPUYHU-UHFFFAOYSA-N 0 1 295.361 3.642 20 0 CHADMN CN(C)Cc1ccc(-c2ccc3occc3c2)nc1 ZINC001240424694 1130304136 /nfs/dbraw/zinc/30/41/36/1130304136.db2.gz WWBVHKOSJIIRMK-UHFFFAOYSA-N 0 1 252.317 3.556 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1ccc2occc2c1 ZINC001240426391 1130305157 /nfs/dbraw/zinc/30/51/57/1130305157.db2.gz ZUELFFJUCUQRJF-UHFFFAOYSA-N 0 1 253.236 3.510 20 0 CHADMN Cc1csc(CN2CCC(n3cccn3)CC2)c1Cl ZINC001137292815 1130305694 /nfs/dbraw/zinc/30/56/94/1130305694.db2.gz QSCNKNPETCBLIP-UHFFFAOYSA-N 0 1 295.839 3.744 20 0 CHADMN C[C@H]1CC[C@H](N2CCc3cc(Br)ccc3C2)C1 ZINC001170132926 1130307874 /nfs/dbraw/zinc/30/78/74/1130307874.db2.gz PCUJVAHXNGFYCA-NHYWBVRUSA-N 0 1 294.236 3.996 20 0 CHADMN C/C(=C\c1ccc(Cl)cc1)CNCc1cc(C)ncn1 ZINC000677425663 1130311577 /nfs/dbraw/zinc/31/15/77/1130311577.db2.gz ZFRIOWPHWNCVHR-KPKJPENVSA-N 0 1 287.794 3.632 20 0 CHADMN c1csc(-c2cnc(CN3CCC4(CC4)CC3)o2)c1 ZINC000677717392 1130323820 /nfs/dbraw/zinc/32/38/20/1130323820.db2.gz KOEUTQOACFLYHF-UHFFFAOYSA-N 0 1 274.389 3.779 20 0 CHADMN C[C@H](c1nnc(-c2ccccc2)o1)N1CCC2(CC2)CC1 ZINC000677717065 1130324084 /nfs/dbraw/zinc/32/40/84/1130324084.db2.gz DKRCYJBKVXYRPG-CYBMUJFWSA-N 0 1 283.375 3.674 20 0 CHADMN FC1(F)CC2(CN(CCSc3ccccc3)C2)C1 ZINC000677733559 1130326750 /nfs/dbraw/zinc/32/67/50/1130326750.db2.gz UECUYPKRQPFIAU-UHFFFAOYSA-N 0 1 269.360 3.510 20 0 CHADMN Cc1oc(-c2ccccc2)nc1CN1CC[C@@H](C(F)F)C1 ZINC000677732591 1130326866 /nfs/dbraw/zinc/32/68/66/1130326866.db2.gz IJYCLLDHVVYODG-CYBMUJFWSA-N 0 1 292.329 3.737 20 0 CHADMN C[C@@H]1CC[C@H]([N@@H+](Cc2cccnc2)Cc2ccccn2)C1 ZINC001170144824 1130330138 /nfs/dbraw/zinc/33/01/38/1130330138.db2.gz OZPICFMRISAONY-QAPCUYQASA-N 0 1 281.403 3.667 20 0 CHADMN C[C@@H]1CC[C@H](N(Cc2cccnc2)Cc2ccccn2)C1 ZINC001170144824 1130330144 /nfs/dbraw/zinc/33/01/44/1130330144.db2.gz OZPICFMRISAONY-QAPCUYQASA-N 0 1 281.403 3.667 20 0 CHADMN C[C@]1(F)CCCCN(Cc2cc3ccccc3[nH]2)C1 ZINC001137313839 1130334174 /nfs/dbraw/zinc/33/41/74/1130334174.db2.gz VUFCYILSGPGXFU-INIZCTEOSA-N 0 1 260.356 3.882 20 0 CHADMN C[C@H]1CC[C@@H](N(Cc2cccnc2)Cc2cccnc2)C1 ZINC001170144935 1130335524 /nfs/dbraw/zinc/33/55/24/1130335524.db2.gz QLCAPYOFIRFXMI-MAUKXSAKSA-N 0 1 281.403 3.667 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[C@H](C(C)C)CC1 ZINC000677890695 1130337677 /nfs/dbraw/zinc/33/76/77/1130337677.db2.gz BWGBTEVFTTXQEO-AWEZNQCLSA-N 0 1 291.439 3.740 20 0 CHADMN CCn1nccc1CN[C@H](C)c1ccc(Cl)c(F)c1 ZINC000678016418 1130341828 /nfs/dbraw/zinc/34/18/28/1130341828.db2.gz RQHAXAXEBPOWMQ-SNVBAGLBSA-N 0 1 281.762 3.546 20 0 CHADMN Cc1n[nH]cc1-c1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC001240521769 1130341964 /nfs/dbraw/zinc/34/19/64/1130341964.db2.gz WUJBNCCICQXMJT-UHFFFAOYSA-N 0 1 289.382 3.901 20 0 CHADMN Cc1ccccc1-c1noc(CN2CC[C@H](C)[C@@H](C)C2)n1 ZINC000678046916 1130345729 /nfs/dbraw/zinc/34/57/29/1130345729.db2.gz ZNXWWSIMSPLVBO-JSGCOSHPSA-N 0 1 285.391 3.523 20 0 CHADMN CCC(C)=C(C)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000791057208 1130348376 /nfs/dbraw/zinc/34/83/76/1130348376.db2.gz ODCRYVXFQDZHBD-PKNBQFBNSA-N 0 1 257.337 3.556 20 0 CHADMN Cc1ccc([C@H](C)C(=O)Nc2cc3cn[nH]c3cc2C)o1 ZINC000791057481 1130349070 /nfs/dbraw/zinc/34/90/70/1130349070.db2.gz WEUNYXSDEQRPIE-NSHDSACASA-N 0 1 283.331 3.515 20 0 CHADMN CCN(Cc1nn(C)c2ccccc12)Cc1ccccc1C ZINC000678140059 1130357674 /nfs/dbraw/zinc/35/76/74/1130357674.db2.gz GVPUEOFZLAVVSJ-UHFFFAOYSA-N 0 1 293.414 3.904 20 0 CHADMN CCN(Cc1n[nH]c2ccccc21)Cc1ccc(OC)cc1 ZINC000678142131 1130360212 /nfs/dbraw/zinc/36/02/12/1130360212.db2.gz OULIDUUKHOQQAZ-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN C[C@@H]1c2ccccc2OCCN1Cc1ccc2c[nH]nc2c1 ZINC000678196870 1130368722 /nfs/dbraw/zinc/36/87/22/1130368722.db2.gz KSIIEKMSIGFPLD-CYBMUJFWSA-N 0 1 293.370 3.519 20 0 CHADMN c1nc(C2CC2)sc1CN1CCC(c2ccccn2)CC1 ZINC000678212375 1130370515 /nfs/dbraw/zinc/37/05/15/1130370515.db2.gz CEQXRUDRIZPPCL-UHFFFAOYSA-N 0 1 299.443 3.795 20 0 CHADMN CCNC(=O)Nc1ccc(-c2cc3nc[nH]c3cc2F)cc1 ZINC001240581682 1130370998 /nfs/dbraw/zinc/37/09/98/1130370998.db2.gz UZODTOPUHGVXKR-UHFFFAOYSA-N 0 1 298.321 3.510 20 0 CHADMN CC(C)(C)n1cc(CN2CCC[C@@H]2c2ccc(O)cc2)cn1 ZINC000678213229 1130372465 /nfs/dbraw/zinc/37/24/65/1130372465.db2.gz PINHIFXOKHSERU-QGZVFWFLSA-N 0 1 299.418 3.681 20 0 CHADMN CC(C)n1cc(CN2CCC[C@@H]2c2ccc(O)cc2)cn1 ZINC000678213319 1130372565 /nfs/dbraw/zinc/37/25/65/1130372565.db2.gz ZYHLXOGGSJLLDF-QGZVFWFLSA-N 0 1 285.391 3.507 20 0 CHADMN c1ncn2cccc(-c3ccc(N4CCCC4)cc3)c12 ZINC001240591261 1130375314 /nfs/dbraw/zinc/37/53/14/1130375314.db2.gz NYFVFRUQPGWEHK-UHFFFAOYSA-N 0 1 263.344 3.602 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1ccc(N2CCCC2)cc1 ZINC001240592186 1130376871 /nfs/dbraw/zinc/37/68/71/1130376871.db2.gz YYPZREGLRRKROM-UHFFFAOYSA-N 0 1 281.334 3.969 20 0 CHADMN CCN(C/C=C\c1ccccc1OC)Cc1ccoc1 ZINC000678233859 1130376913 /nfs/dbraw/zinc/37/69/13/1130376913.db2.gz CWUDQMFLABGRTA-VURMDHGXSA-N 0 1 271.360 3.824 20 0 CHADMN C[C@@H]1C[C@@H](C)N1Cc1cc(Cl)nc2ccccc12 ZINC000791567796 1130382310 /nfs/dbraw/zinc/38/23/10/1130382310.db2.gz MCYSNKZJZRUBLP-GHMZBOCLSA-N 0 1 260.768 3.871 20 0 CHADMN c1coc([C@@H]2COCCN2CC2CCCCCC2)c1 ZINC000678262838 1130382479 /nfs/dbraw/zinc/38/24/79/1130382479.db2.gz BXXGICPNXIARFZ-HNNXBMFYSA-N 0 1 263.381 3.623 20 0 CHADMN Cc1cccn2c(CN3C4CCCC3CCC4)cnc12 ZINC000678280082 1130388325 /nfs/dbraw/zinc/38/83/25/1130388325.db2.gz XCCZIXXOGJPJLA-UHFFFAOYSA-N 0 1 269.392 3.550 20 0 CHADMN c1[nH]nc(-c2ccccc2)c1CN1C2CCCC1CCC2 ZINC000678278628 1130388687 /nfs/dbraw/zinc/38/86/87/1130388687.db2.gz DMJUHHFFRVXCER-UHFFFAOYSA-N 0 1 281.403 3.984 20 0 CHADMN Cc1cc(C)c(CN2CCC[C@H]2c2ccc(C)nc2)[nH]1 ZINC001137331054 1130394688 /nfs/dbraw/zinc/39/46/88/1130394688.db2.gz NWTKQWUHZDTCFJ-KRWDZBQOSA-N 0 1 269.392 3.672 20 0 CHADMN Cc1cc(C)c(C[N@H+](C)[C@H]2CCc3ccccc32)[nH]1 ZINC001137333900 1130400680 /nfs/dbraw/zinc/40/06/80/1130400680.db2.gz YEZNCSWLFCJHOL-KRWDZBQOSA-N 0 1 254.377 3.751 20 0 CHADMN C[C@H]1CN(Cc2cccc(NCC(C)(C)C)c2)C[C@H](C)O1 ZINC000678345011 1130407058 /nfs/dbraw/zinc/40/70/58/1130407058.db2.gz KWGURKVBDBEIAC-GJZGRUSLSA-N 0 1 290.451 3.754 20 0 CHADMN COc1ccc(C)cc1CN[C@H](C)c1cnccc1C ZINC000678362778 1130409288 /nfs/dbraw/zinc/40/92/88/1130409288.db2.gz OFUNTBYSUNDXQU-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN Fc1ccc2[nH]cc(CN3CCCC[C@@H](F)C3)c2c1 ZINC001137335470 1130410395 /nfs/dbraw/zinc/41/03/95/1130410395.db2.gz UKLYSGPFGHGRQM-CYBMUJFWSA-N 0 1 264.319 3.631 20 0 CHADMN CCCOc1ccc(CN[C@H](C)c2ccc(C)nc2C)cn1 ZINC000678422303 1130413981 /nfs/dbraw/zinc/41/39/81/1130413981.db2.gz MJWJAMFEJLZJQS-CQSZACIVSA-N 0 1 299.418 3.733 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2cnn(C(C)C)c2)c(C)n1 ZINC000678425831 1130414827 /nfs/dbraw/zinc/41/48/27/1130414827.db2.gz BYHQAWCYEWLMKH-HIFRSBDPSA-N 0 1 286.423 3.888 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cnccc2C)c(F)c1 ZINC000678425766 1130415064 /nfs/dbraw/zinc/41/50/64/1130415064.db2.gz CNALZMATRWPNSS-STQMWFEESA-N 0 1 288.366 3.950 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cnccc2C)c(F)c1 ZINC000678425763 1130415296 /nfs/dbraw/zinc/41/52/96/1130415296.db2.gz CNALZMATRWPNSS-OLZOCXBDSA-N 0 1 288.366 3.950 20 0 CHADMN Clc1cc(-c2cccc3cncn32)cc(Cl)n1 ZINC001243370530 1130415928 /nfs/dbraw/zinc/41/59/28/1130415928.db2.gz YFJXSBXMQOCCIZ-UHFFFAOYSA-N 0 1 264.115 3.703 20 0 CHADMN Cc1ccc2nc(CN[C@@H](C)c3ccc(C)nc3C)[nH]c2c1 ZINC000678428972 1130416519 /nfs/dbraw/zinc/41/65/19/1130416519.db2.gz TXQJEUBTOSVMAY-ZDUSSCGKSA-N 0 1 294.402 3.734 20 0 CHADMN COC(=O)c1nc2ccc(-c3ccc(C)c(C)c3)cc2[nH]1 ZINC001240701224 1130425918 /nfs/dbraw/zinc/42/59/18/1130425918.db2.gz SMJLJXDBRHYXPG-UHFFFAOYSA-N 0 1 280.327 3.633 20 0 CHADMN Fc1ccc2[nH]cc(CN3CC[C@H](C(F)(F)F)C3)c2c1 ZINC001137339752 1130426277 /nfs/dbraw/zinc/42/62/77/1130426277.db2.gz CLKXSGNDNCDAJH-JTQLQIEISA-N 0 1 286.272 3.691 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H](C)Oc2ccccc2)c(C)s1 ZINC000678587722 1130431582 /nfs/dbraw/zinc/43/15/82/1130431582.db2.gz KWLAQTNIDOTFNL-NWDGAFQWSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(F)cn1)CC2 ZINC000678584464 1130432480 /nfs/dbraw/zinc/43/24/80/1130432480.db2.gz PXYPAAGLRHQXMK-YVEFUNNKSA-N 0 1 270.351 3.867 20 0 CHADMN c1cc2c(cccc2-c2ccccc2CN2CCOCC2)[nH]1 ZINC001240712913 1130432879 /nfs/dbraw/zinc/43/28/79/1130432879.db2.gz MIRLGQNCKZXFTJ-UHFFFAOYSA-N 0 1 292.382 3.667 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1cccc2[nH]ccc21 ZINC001240711871 1130433198 /nfs/dbraw/zinc/43/31/98/1130433198.db2.gz GAEJSKVBVPIRKM-UHFFFAOYSA-N 0 1 251.264 3.850 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)N[C@@H]3CC[C@@H]3C)n2)cc1 ZINC000792179527 1130435384 /nfs/dbraw/zinc/43/53/84/1130435384.db2.gz HNMORXBMRUFNAQ-SLEUVZQESA-N 0 1 285.391 3.748 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)N[C@H]3CC[C@@H]3C)n2)cc1 ZINC000792179525 1130435959 /nfs/dbraw/zinc/43/59/59/1130435959.db2.gz HNMORXBMRUFNAQ-HUBLWGQQSA-N 0 1 285.391 3.748 20 0 CHADMN CCCCc1ccc([C@@H](C)NCc2cc(C)ncn2)cc1 ZINC000678604865 1130439556 /nfs/dbraw/zinc/43/95/56/1130439556.db2.gz MNIAYRUTRXVAJO-OAHLLOKOSA-N 0 1 283.419 3.978 20 0 CHADMN CCc1ccc([C@@H](CC)NCc2cc(C)ncn2)cc1 ZINC000678604524 1130439921 /nfs/dbraw/zinc/43/99/21/1130439921.db2.gz IBDKZUNJTMIRIO-QGZVFWFLSA-N 0 1 269.392 3.588 20 0 CHADMN Cc1c(F)cccc1-c1ccc(CCN2CCOCC2)cc1 ZINC001240732256 1130444785 /nfs/dbraw/zinc/44/47/85/1130444785.db2.gz GPCFGHCHYJYCTK-UHFFFAOYSA-N 0 1 299.389 3.676 20 0 CHADMN CC(C)n1ccc(CN[C@H]2c3ccccc3CC[C@H]2C)n1 ZINC000678771772 1130451967 /nfs/dbraw/zinc/45/19/67/1130451967.db2.gz YXWFGLVEUWLWRL-RDTXWAMCSA-N 0 1 283.419 3.877 20 0 CHADMN Cc1ccc2c(ccnc2N[C@H](C(=O)NC(C)C)C(C)C)c1 ZINC001170188859 1130456649 /nfs/dbraw/zinc/45/66/49/1130456649.db2.gz LHOOVOWVUJUNKA-INIZCTEOSA-N 0 1 299.418 3.504 20 0 CHADMN CN(Cc1[nH]nc2ccccc21)[C@H](C1CCC1)C(F)(F)F ZINC001137351036 1130457200 /nfs/dbraw/zinc/45/72/00/1130457200.db2.gz MJYCBUSMGARZFP-CQSZACIVSA-N 0 1 297.324 3.726 20 0 CHADMN CCc1nn(C)cc1CN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000678810757 1130457957 /nfs/dbraw/zinc/45/79/57/1130457957.db2.gz PTMCBCLVMMRLLH-UHFFFAOYSA-N 0 1 299.462 3.912 20 0 CHADMN CCc1nn(C)cc1CN(C)Cc1ccc2ccccc2c1 ZINC000678812295 1130458508 /nfs/dbraw/zinc/45/85/08/1130458508.db2.gz QCSYZTXNUSESGU-UHFFFAOYSA-N 0 1 293.414 3.768 20 0 CHADMN c1cc2c(ccnc2-c2ccc3c(c2)CCCO3)[nH]1 ZINC001240774606 1130466144 /nfs/dbraw/zinc/46/61/44/1130466144.db2.gz VVJDWSFOFIWKTC-UHFFFAOYSA-N 0 1 250.301 3.555 20 0 CHADMN C[C@H](Cc1ccccc1Cl)NCc1nccnc1Cl ZINC001170246555 1130468415 /nfs/dbraw/zinc/46/84/15/1130468415.db2.gz AKBFIYALVLLGDP-SNVBAGLBSA-N 0 1 296.201 3.504 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)N1C[C@@H](C)[C@@H](F)C1 ZINC001170265801 1130471050 /nfs/dbraw/zinc/47/10/50/1130471050.db2.gz JWKJFWZRSTWIIZ-SUNKGSAMSA-N 0 1 255.764 3.561 20 0 CHADMN CC(C)CO[C@H]1C[C@@H](NCc2cc(C(C)C)no2)C1(C)C ZINC000678926569 1130472270 /nfs/dbraw/zinc/47/22/70/1130472270.db2.gz CWPHPUWBTBELOP-CVEARBPZSA-N 0 1 294.439 3.727 20 0 CHADMN CCCCO[C@@H]1C[C@@H](NCc2cc(C(C)C)no2)C1(C)C ZINC000678928602 1130473317 /nfs/dbraw/zinc/47/33/17/1130473317.db2.gz QWKPCTASYMLRGU-HZPDHXFCSA-N 0 1 294.439 3.871 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)N1CCc2cccnc2C1 ZINC001170283923 1130479749 /nfs/dbraw/zinc/47/97/49/1130479749.db2.gz BYBPPOBGFSDEAW-ZDUSSCGKSA-N 0 1 286.806 3.724 20 0 CHADMN CC1(C)CCN(Cc2nc3c(s2)CCCC3)CC1 ZINC000678980848 1130480410 /nfs/dbraw/zinc/48/04/10/1130480410.db2.gz BLEABGURHPAICT-UHFFFAOYSA-N 0 1 264.438 3.644 20 0 CHADMN Cc1cncc(-c2cccc3nc(C(F)(F)F)[nH]c32)c1 ZINC001240806283 1130481123 /nfs/dbraw/zinc/48/11/23/1130481123.db2.gz WGBHCEXYCNYUAG-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@@H]1CCCOc2ccccc21 ZINC000678997163 1130481941 /nfs/dbraw/zinc/48/19/41/1130481941.db2.gz VMNWPULWDCXGNT-IAQYHMDHSA-N 0 1 286.375 3.856 20 0 CHADMN CO[C@@H]1C[C@H](N(C)Cc2cccc(Cl)c2F)C12CCC2 ZINC001170325202 1130482041 /nfs/dbraw/zinc/48/20/41/1130482041.db2.gz XXFDZEFFBSTBOM-UONOGXRCSA-N 0 1 297.801 3.869 20 0 CHADMN Cc1nc2ccc(-c3ccc(OC(C)C)nc3)cc2[nH]1 ZINC001240808626 1130482180 /nfs/dbraw/zinc/48/21/80/1130482180.db2.gz XUXNLROLCPFDIZ-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN CCn1cc([C@@H](C)NC2(c3ccc(F)cc3)CCC2)cn1 ZINC000679016473 1130485364 /nfs/dbraw/zinc/48/53/64/1130485364.db2.gz OWRFMPATGUZORS-CYBMUJFWSA-N 0 1 287.382 3.772 20 0 CHADMN Cc1ncc([C@@H](C)NC2(c3ccc(F)cc3)CC2)s1 ZINC000679040589 1130485772 /nfs/dbraw/zinc/48/57/72/1130485772.db2.gz DZSIMFODPGWJRL-SNVBAGLBSA-N 0 1 276.380 3.931 20 0 CHADMN C[C@H](N[C@@H](CC1CC1)c1ccccc1)c1cnccn1 ZINC000679046360 1130486694 /nfs/dbraw/zinc/48/66/94/1130486694.db2.gz CSDGXFHFTJDZCR-BBRMVZONSA-N 0 1 267.376 3.669 20 0 CHADMN COc1ccc(C(F)(F)F)cc1-c1cncc2nc[nH]c21 ZINC001240825879 1130487432 /nfs/dbraw/zinc/48/74/32/1130487432.db2.gz HIBCMINQYDGNBQ-UHFFFAOYSA-N 0 1 293.248 3.652 20 0 CHADMN Cc1nc(C)c([C@@H](C)Nc2cnn(-c3ccncc3)c2)s1 ZINC000679128602 1130496389 /nfs/dbraw/zinc/49/63/89/1130496389.db2.gz XAIZNTPZJZLLDC-LLVKDONJSA-N 0 1 299.403 3.514 20 0 CHADMN CC(C)[C@@H]1N(C[C@H](O)c2c(F)cccc2F)CC12CCC2 ZINC000793005883 1130512635 /nfs/dbraw/zinc/51/26/35/1130512635.db2.gz ZWKVGMONPLNRMF-HOCLYGCPSA-N 0 1 295.373 3.509 20 0 CHADMN CC(C)Oc1ccc(NCc2[nH]nc3ccccc32)cc1 ZINC000747099293 1130514597 /nfs/dbraw/zinc/51/45/97/1130514597.db2.gz SJWMWCGFGZKNCT-UHFFFAOYSA-N 0 1 281.359 3.962 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(-c3cccnc3)c2)C[C@@H]1F ZINC000679358686 1130519926 /nfs/dbraw/zinc/51/99/26/1130519926.db2.gz MADRCTQIDQRCEP-KDOFPFPSSA-N 0 1 284.378 3.929 20 0 CHADMN Cc1cccc(-c2n[nH]cc2CN2CC[C@H](C)[C@@H](F)C2)c1 ZINC000679357905 1130520064 /nfs/dbraw/zinc/52/00/64/1130520064.db2.gz GILHCMWHYSPMRI-BBRMVZONSA-N 0 1 287.382 3.565 20 0 CHADMN Cc1[nH]ncc1[C@@H](C)Nc1ccc2nc(C3CC3)oc2c1 ZINC000679363550 1130522014 /nfs/dbraw/zinc/52/20/14/1130522014.db2.gz TZKDOXJBBHZYNL-SECBINFHSA-N 0 1 282.347 3.910 20 0 CHADMN c1cnc2cccc(-c3cc(N4CCCC4)ccn3)c2c1 ZINC001240935388 1130523128 /nfs/dbraw/zinc/52/31/28/1130523128.db2.gz SRGSYFIIYDHDIS-UHFFFAOYSA-N 0 1 275.355 3.897 20 0 CHADMN CC(C)(C)OCc1ccc(-c2cccc3[nH]nnc32)cc1 ZINC001240942985 1130527196 /nfs/dbraw/zinc/52/71/96/1130527196.db2.gz NOFRKNXDBBPNHL-UHFFFAOYSA-N 0 1 281.359 3.940 20 0 CHADMN CC[C@@H]1CCCC[C@H]1Nc1cnn(-c2ccncc2)c1 ZINC000679443655 1130529364 /nfs/dbraw/zinc/52/93/64/1130529364.db2.gz KUWAZGMLRMFNAK-CZUORRHYSA-N 0 1 270.380 3.648 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1Nc1cnn(-c2ccncc2)c1 ZINC000679443654 1130529514 /nfs/dbraw/zinc/52/95/14/1130529514.db2.gz KUWAZGMLRMFNAK-CJNGLKHVSA-N 0 1 270.380 3.648 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccccn2)ccc1Cl ZINC000679481014 1130532571 /nfs/dbraw/zinc/53/25/71/1130532571.db2.gz XWJADMGXHCUSJS-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN COCc1ccc(-c2cc3nc[nH]c3cc2F)cc1 ZINC001240953448 1130533283 /nfs/dbraw/zinc/53/32/83/1130533283.db2.gz PDMVMONIIVLUTD-UHFFFAOYSA-N 0 1 256.280 3.515 20 0 CHADMN Cc1cc(-c2ccc3occc(=O)c3c2)cc2nc[nH]c21 ZINC001240968290 1130543460 /nfs/dbraw/zinc/54/34/60/1130543460.db2.gz QEHITUZFPUEYEA-UHFFFAOYSA-N 0 1 276.295 3.645 20 0 CHADMN C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1cccc(O)c1 ZINC000679582788 1130543582 /nfs/dbraw/zinc/54/35/82/1130543582.db2.gz AAPPURPHQDDYHZ-JQWIXIFHSA-N 0 1 273.298 3.555 20 0 CHADMN C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1cccc(O)c1 ZINC000679582786 1130544314 /nfs/dbraw/zinc/54/43/14/1130544314.db2.gz AAPPURPHQDDYHZ-CMPLNLGQSA-N 0 1 273.298 3.555 20 0 CHADMN CC1(C)OCc2cc(CN3CCC(F)(F)CC3)ccc2O1 ZINC000793360234 1130544656 /nfs/dbraw/zinc/54/46/56/1130544656.db2.gz UBMWFRXSJDAGCE-UHFFFAOYSA-N 0 1 297.345 3.563 20 0 CHADMN Cc1ccc(Br)c(CN2CCCC23CC3)c1 ZINC001137380328 1130545804 /nfs/dbraw/zinc/54/58/04/1130545804.db2.gz HUXGKFGJVLFEEV-UHFFFAOYSA-N 0 1 280.209 3.886 20 0 CHADMN CC[N@H+](Cc1ccsc1Br)CC(C)C ZINC000389004646 1130546227 /nfs/dbraw/zinc/54/62/27/1130546227.db2.gz UUPCXOWOQGYWBG-UHFFFAOYSA-N 0 1 276.243 3.989 20 0 CHADMN CCN(Cc1ccsc1Br)CC(C)C ZINC000389004646 1130546229 /nfs/dbraw/zinc/54/62/29/1130546229.db2.gz UUPCXOWOQGYWBG-UHFFFAOYSA-N 0 1 276.243 3.989 20 0 CHADMN Cc1nc2ccc(-c3cc(F)c(F)c(F)c3)cc2[nH]1 ZINC001240980688 1130548756 /nfs/dbraw/zinc/54/87/56/1130548756.db2.gz ZAZXAEWXFNIVDP-UHFFFAOYSA-N 0 1 262.234 3.956 20 0 CHADMN CCCN(CC(=O)NC(C)(C)CC)Cc1ccc(C)cc1 ZINC000679636467 1130548909 /nfs/dbraw/zinc/54/89/09/1130548909.db2.gz VBELNCYTTGFXGG-UHFFFAOYSA-N 0 1 290.451 3.512 20 0 CHADMN Clc1ccc(CNCCOc2ccccc2Cl)o1 ZINC000679642382 1130549005 /nfs/dbraw/zinc/54/90/05/1130549005.db2.gz CQHRDSVXZMQQTG-UHFFFAOYSA-N 0 1 286.158 3.755 20 0 CHADMN CN(C)Cc1cccc(-c2cccc(N(C)C)c2)c1F ZINC001240988742 1130554652 /nfs/dbraw/zinc/55/46/52/1130554652.db2.gz RYVNTXXTWQEVJV-UHFFFAOYSA-N 0 1 272.367 3.620 20 0 CHADMN CCc1ccc(CN2CCC[C@H](OC(F)F)C2)s1 ZINC000679740851 1130554689 /nfs/dbraw/zinc/55/46/89/1130554689.db2.gz RVUBPOHFCKZWKR-JTQLQIEISA-N 0 1 275.364 3.514 20 0 CHADMN CCC[C@H]1CCCCN1Cc1cn2c(cccc2F)n1 ZINC001139569907 1130556674 /nfs/dbraw/zinc/55/66/74/1130556674.db2.gz OCTVTKMALGCWBH-AWEZNQCLSA-N 0 1 275.371 3.628 20 0 CHADMN CCC(CC)(CC)CNc1cnn(-c2ccncc2)c1 ZINC000679841138 1130558840 /nfs/dbraw/zinc/55/88/40/1130558840.db2.gz RFHPDQGRJDSJGG-UHFFFAOYSA-N 0 1 272.396 3.896 20 0 CHADMN C[C@@H]1CC[C@@]2(CCN(Cc3noc4c3CCCC4)C2)C1 ZINC000679834154 1130558991 /nfs/dbraw/zinc/55/89/91/1130558991.db2.gz UBRYISAUJWHEDT-CXAGYDPISA-N 0 1 274.408 3.566 20 0 CHADMN CCCCCN[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000679846457 1130560082 /nfs/dbraw/zinc/56/00/82/1130560082.db2.gz BFHTYRUTJPOUBS-HNNXBMFYSA-N 0 1 291.826 3.943 20 0 CHADMN CO[C@@H](C)CSc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000679842271 1130560355 /nfs/dbraw/zinc/56/03/55/1130560355.db2.gz JZIKHHIONNZXOU-ZETCQYMHSA-N 0 1 290.310 3.709 20 0 CHADMN Clc1ccc(CNCc2cccc3cnccc32)o1 ZINC000679928913 1130561878 /nfs/dbraw/zinc/56/18/78/1130561878.db2.gz YZKGEIOTCJMSRG-UHFFFAOYSA-N 0 1 272.735 3.771 20 0 CHADMN Oc1ccccc1-c1nccc(Oc2cccc(F)c2)n1 ZINC001241008122 1130562079 /nfs/dbraw/zinc/56/20/79/1130562079.db2.gz KMHVUKHSKQQHDP-UHFFFAOYSA-N 0 1 282.274 3.781 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCSc3ccccc32)n(C)n1 ZINC000793522196 1130562493 /nfs/dbraw/zinc/56/24/93/1130562493.db2.gz DWXOHCLZLUAUBG-JSGCOSHPSA-N 0 1 287.432 3.616 20 0 CHADMN Cc1ccc(CN(C)C[C@@]2(C)CC2(Cl)Cl)o1 ZINC000827355190 1130570544 /nfs/dbraw/zinc/57/05/44/1130570544.db2.gz WWMHEITUJGULKB-LLVKDONJSA-N 0 1 262.180 3.604 20 0 CHADMN CC1(C)CC[C@H]1NCc1c(F)c(F)c(F)c(F)c1F ZINC000793564685 1130570567 /nfs/dbraw/zinc/57/05/67/1130570567.db2.gz JGKXTUBNCJJTPX-SSDOTTSWSA-N 0 1 279.252 3.660 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@H](C)c1cc(C)nn1C ZINC000793567715 1130571152 /nfs/dbraw/zinc/57/11/52/1130571152.db2.gz PLCQERHIGAZYBE-CHWSQXEVSA-N 0 1 289.448 3.862 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@@H](C)c1cc(C)nn1C ZINC000793567728 1130571235 /nfs/dbraw/zinc/57/12/35/1130571235.db2.gz PLCQERHIGAZYBE-STQMWFEESA-N 0 1 289.448 3.862 20 0 CHADMN COc1c(F)cc(-c2ccc(CN(C)C)cn2)cc1Cl ZINC001244695340 1130599160 /nfs/dbraw/zinc/59/91/60/1130599160.db2.gz PUSWJUUNIAXEJJ-UHFFFAOYSA-N 0 1 294.757 3.611 20 0 CHADMN CCCC[C@H](CCC)OC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000758135470 1130600612 /nfs/dbraw/zinc/60/06/12/1130600612.db2.gz NVGLHCVHWYTWKM-STQMWFEESA-N 0 1 278.396 3.732 20 0 CHADMN CCCCN(CCCC)Cn1cc(C)cnc1=S ZINC000758302064 1130604815 /nfs/dbraw/zinc/60/48/15/1130604815.db2.gz XQVYGBQKTFMSET-UHFFFAOYSA-N 0 1 267.442 3.781 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](Cn2cc(C)cnc2=S)C1 ZINC000758347519 1130605979 /nfs/dbraw/zinc/60/59/79/1130605979.db2.gz QWKWNNJURBXVLJ-OAHLLOKOSA-N 0 1 279.453 3.781 20 0 CHADMN CCC[C@]1(C)CCCN(Cn2cc(C)cnc2=S)C1 ZINC000758347519 1130605983 /nfs/dbraw/zinc/60/59/83/1130605983.db2.gz QWKWNNJURBXVLJ-OAHLLOKOSA-N 0 1 279.453 3.781 20 0 CHADMN CC[C@]1(C)CC[N@@H+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000758394085 1130609737 /nfs/dbraw/zinc/60/97/37/1130609737.db2.gz AXLGKCUUUICEAC-OAHLLOKOSA-N 0 1 275.421 3.691 20 0 CHADMN CC(C)[C@H](C)N(C)Cc1ccnc(Cl)c1Cl ZINC000811453950 1130610320 /nfs/dbraw/zinc/61/03/20/1130610320.db2.gz DMYPMHICCFAEGK-VIFPVBQESA-N 0 1 261.196 3.865 20 0 CHADMN Cc1ccc2nc(CNc3ccnc(Cl)c3)[nH]c2c1 ZINC000758459313 1130612882 /nfs/dbraw/zinc/61/28/82/1130612882.db2.gz BUFQKMMGVZROLS-UHFFFAOYSA-N 0 1 272.739 3.532 20 0 CHADMN Cn1nccc1CN[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000758507904 1130615105 /nfs/dbraw/zinc/61/51/05/1130615105.db2.gz NMOBPIURMBDPGC-HNNXBMFYSA-N 0 1 293.361 3.575 20 0 CHADMN O[C@@H](CN1CC2(C1)CCCCC2)c1ccc(Cl)c(F)c1 ZINC000759062200 1130633491 /nfs/dbraw/zinc/63/34/91/1130633491.db2.gz BSGLGCKFBQMPJF-HNNXBMFYSA-N 0 1 297.801 3.779 20 0 CHADMN CC[N@H+](Cc1ccc(OC)cc1)C[C@H](C)C(F)(F)F ZINC000441148711 1130635511 /nfs/dbraw/zinc/63/55/11/1130635511.db2.gz OOVSPNFYEHPJFS-NSHDSACASA-N 0 1 275.314 3.716 20 0 CHADMN CC(C)=CCC[C@H](C)CC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C ZINC001277850784 1130640523 /nfs/dbraw/zinc/64/05/23/1130640523.db2.gz YEZIYRVLEXWKTI-YVSFHVDLSA-N 0 1 294.483 3.699 20 0 CHADMN CC1(C)CCN1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000759211958 1130645262 /nfs/dbraw/zinc/64/52/62/1130645262.db2.gz QKMGXZHLNHKOJV-GFCCVEGCSA-N 0 1 274.191 3.511 20 0 CHADMN C[C@@H](NCc1cccc(F)n1)c1ccc(Cl)cc1 ZINC000747744435 1130648162 /nfs/dbraw/zinc/64/81/62/1130648162.db2.gz NOTGKFIYGQTHTP-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN COc1cccc([C@@H]2CCCCN2Cc2[nH]c(C)nc2C)c1 ZINC001234635826 1130664778 /nfs/dbraw/zinc/66/47/78/1130664778.db2.gz RTWBITLOXMTZEP-SFHVURJKSA-N 0 1 299.418 3.762 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)NCc1cc(CC)[nH]n1 ZINC000780672802 1130688108 /nfs/dbraw/zinc/68/81/08/1130688108.db2.gz HGJXKNYOCALKIT-INIZCTEOSA-N 0 1 279.428 3.585 20 0 CHADMN CC[N@H+]1CCC[C@@H](Oc2c(F)ccc(SC)c2F)C1 ZINC001234932103 1130693555 /nfs/dbraw/zinc/69/35/55/1130693555.db2.gz BAYSYLZLZLGMML-SNVBAGLBSA-N 0 1 287.375 3.550 20 0 CHADMN CCN1CCC[C@@H](Oc2c(F)ccc(SC)c2F)C1 ZINC001234932103 1130693560 /nfs/dbraw/zinc/69/35/60/1130693560.db2.gz BAYSYLZLZLGMML-SNVBAGLBSA-N 0 1 287.375 3.550 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)/C=C2\CC[C@@H](C)C2)c1 ZINC000812706734 1130706903 /nfs/dbraw/zinc/70/69/03/1130706903.db2.gz YEHBJNZEOJRJBV-LWMMSDEHSA-N 0 1 287.359 3.670 20 0 CHADMN Cc1ncc([C@H](C)Nc2cc3c(cn2)CCCC3)s1 ZINC000812741320 1130710000 /nfs/dbraw/zinc/71/00/00/1130710000.db2.gz SGQNXTOVIWIVHH-JTQLQIEISA-N 0 1 273.405 3.898 20 0 CHADMN Cc1nc(CNC[C@H]2CCC3(CCCCC3)O2)sc1C ZINC000691787103 1130717614 /nfs/dbraw/zinc/71/76/14/1130717614.db2.gz CYZGMMWIDCERNV-CQSZACIVSA-N 0 1 294.464 3.731 20 0 CHADMN C[C@@]1(F)CCCN([C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170688579 1130720029 /nfs/dbraw/zinc/72/00/29/1130720029.db2.gz AKXIEDRJFXWGIE-XJKSGUPXSA-N 0 1 283.337 3.646 20 0 CHADMN Cc1cc(F)c(CN2CC[C@H](COCC3CC3)C2)c(F)c1 ZINC001235199179 1130722439 /nfs/dbraw/zinc/72/24/39/1130722439.db2.gz SMOTZVWSNRMMCI-AWEZNQCLSA-N 0 1 295.373 3.522 20 0 CHADMN Fc1cccc2cc(CN3CCCC(F)(F)CC3)[nH]c21 ZINC001235233889 1130726511 /nfs/dbraw/zinc/72/65/11/1130726511.db2.gz IEBJMKQUEBFLSQ-UHFFFAOYSA-N 0 1 282.309 3.928 20 0 CHADMN Fc1cccc2cc(CN3CC[C@]4(CC4(F)F)C3)[nH]c21 ZINC001235246956 1130726825 /nfs/dbraw/zinc/72/68/25/1130726825.db2.gz NJMYWSVFBJWFNG-AWEZNQCLSA-N 0 1 280.293 3.538 20 0 CHADMN Fc1cccc2cc(CN3CCC[C@H](C(F)F)C3)[nH]c21 ZINC001235245203 1130727263 /nfs/dbraw/zinc/72/72/63/1130727263.db2.gz GTCUZKZOTKXQDZ-NSHDSACASA-N 0 1 282.309 3.784 20 0 CHADMN CCc1cccc(CN2CCCC[C@H]2c2cccnc2)n1 ZINC001235252481 1130727563 /nfs/dbraw/zinc/72/75/63/1130727563.db2.gz BTRYJCFTHIDBOJ-SFHVURJKSA-N 0 1 281.403 3.766 20 0 CHADMN CCc1ccc(CN(C)Cc2cccc(CC)n2)cc1 ZINC001235256555 1130729787 /nfs/dbraw/zinc/72/97/87/1130729787.db2.gz AHBAFVWOTXWMFN-UHFFFAOYSA-N 0 1 268.404 3.838 20 0 CHADMN CCc1cccc(CN(C)Cc2ccc(Cl)cc2)n1 ZINC001235257027 1130730154 /nfs/dbraw/zinc/73/01/54/1130730154.db2.gz IEGHHYIUGXLGSA-UHFFFAOYSA-N 0 1 274.795 3.929 20 0 CHADMN Cc1cnc(F)c(CN2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC001235340519 1130733326 /nfs/dbraw/zinc/73/33/26/1130733326.db2.gz UGCKYAKLXSOWQB-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN Fc1cc(CN(CC2CC2)C2CC2)c(F)c(F)c1F ZINC001235361138 1130736792 /nfs/dbraw/zinc/73/67/92/1130736792.db2.gz OFMFZCNMPIUHIR-UHFFFAOYSA-N 0 1 273.273 3.617 20 0 CHADMN CCOc1cc(O)cc(CN2CCC[C@H]2c2ccncc2)c1 ZINC001235397093 1130738239 /nfs/dbraw/zinc/73/82/39/1130738239.db2.gz AHFQXUKWRSUCBC-SFHVURJKSA-N 0 1 298.386 3.523 20 0 CHADMN C[C@H](CC[N@@H+](CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000692415471 1130738745 /nfs/dbraw/zinc/73/87/45/1130738745.db2.gz OGOBUKYZRAYMGK-MRXNPFEDSA-N 0 1 297.398 3.767 20 0 CHADMN CC(C)C(C[N@@H+](CCC(=O)[O-])Cc1ccccc1)C(C)C ZINC000692455139 1130739781 /nfs/dbraw/zinc/73/97/81/1130739781.db2.gz MSDAPCPXCYEVTJ-UHFFFAOYSA-N 0 1 291.435 3.892 20 0 CHADMN CC[C@H](C(=O)O[C@H](c1ccccc1)C(F)F)N(CC)CC ZINC000813178816 1130743468 /nfs/dbraw/zinc/74/34/68/1130743468.db2.gz MVHDRLVULIRGQC-ZIAGYGMSSA-N 0 1 299.361 3.656 20 0 CHADMN COc1cc(C[N@H+]2CCC[C@@](C)(F)CC2)cc(F)c1F ZINC001235433865 1130744326 /nfs/dbraw/zinc/74/43/26/1130744326.db2.gz ANKFEBGECNKSRH-OAHLLOKOSA-N 0 1 287.325 3.688 20 0 CHADMN COc1cc(CN2CCC[C@@](C)(F)CC2)cc(F)c1F ZINC001235433865 1130744330 /nfs/dbraw/zinc/74/43/30/1130744330.db2.gz ANKFEBGECNKSRH-OAHLLOKOSA-N 0 1 287.325 3.688 20 0 CHADMN Fc1cncc(CN2C3CCCC2CCC3)c1Cl ZINC001235500268 1130749126 /nfs/dbraw/zinc/74/91/26/1130749126.db2.gz HRGPIWZNHLWIKT-UHFFFAOYSA-N 0 1 268.763 3.781 20 0 CHADMN Cc1nonc1CN(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000747843625 1130753106 /nfs/dbraw/zinc/75/31/06/1130753106.db2.gz OTDYFVVINZFOGM-JQWIXIFHSA-N 0 1 293.798 3.655 20 0 CHADMN Cc1ccnc(CN2CCC3(CC(F)C3)CC2)c1Cl ZINC001235577819 1130755192 /nfs/dbraw/zinc/75/51/92/1130755192.db2.gz DTRKJJFYQTUUFY-UHFFFAOYSA-N 0 1 282.790 3.758 20 0 CHADMN CN(Cc1cc(Cl)c(Cl)c(Cl)c1)[C@H]1CCOC1 ZINC001235597559 1130757571 /nfs/dbraw/zinc/75/75/71/1130757571.db2.gz MKJQMDNPOWXHKY-VIFPVBQESA-N 0 1 294.609 3.868 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1ccccc1-c1ccncc1 ZINC001235621846 1130758720 /nfs/dbraw/zinc/75/87/20/1130758720.db2.gz VZEWULUYWMPHFK-IBGZPJMESA-N 0 1 294.398 3.692 20 0 CHADMN F[C@@H]1CCCN(Cc2ccccc2-c2ccncc2)C1 ZINC001235618637 1130759128 /nfs/dbraw/zinc/75/91/28/1130759128.db2.gz MELCPOPBPKNJAW-MRXNPFEDSA-N 0 1 270.351 3.683 20 0 CHADMN CCCN(CCC)Cc1c(C)cncc1Br ZINC001235638760 1130759875 /nfs/dbraw/zinc/75/98/75/1130759875.db2.gz RLMBAYYXOXTCFX-UHFFFAOYSA-N 0 1 285.229 3.775 20 0 CHADMN CCCCCN(C)Cc1cccn1C(=O)OC(C)(C)C ZINC001235626848 1130759936 /nfs/dbraw/zinc/75/99/36/1130759936.db2.gz VMIMFCQDAGJGSK-UHFFFAOYSA-N 0 1 280.412 3.893 20 0 CHADMN Cc1cncc(Br)c1CN1C[C@H](C)C[C@@H](C)C1 ZINC001235643558 1130760376 /nfs/dbraw/zinc/76/03/76/1130760376.db2.gz UCEUKUGVQXKZAQ-GHMZBOCLSA-N 0 1 297.240 3.630 20 0 CHADMN Nc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)cc1F ZINC001235716094 1130772303 /nfs/dbraw/zinc/77/23/03/1130772303.db2.gz YRRBNFAZPQEXII-QGZVFWFLSA-N 0 1 288.341 3.884 20 0 CHADMN CCC(N)=NOCCOC(c1ccccc1)c1ccccc1 ZINC000782318568 1130772781 /nfs/dbraw/zinc/77/27/81/1130772781.db2.gz AQGQVUHPUBKOFE-UHFFFAOYSA-N 0 1 298.386 3.701 20 0 CHADMN CC(C)c1nc(CSc2nc3ccccc3s2)n[nH]1 ZINC000813566745 1130774862 /nfs/dbraw/zinc/77/48/62/1130774862.db2.gz JLJVPMWZIYGWQY-UHFFFAOYSA-N 0 1 290.417 3.830 20 0 CHADMN C[C@H]1CCN1Cc1ccc(OCc2ccccc2)c(F)c1 ZINC001235765702 1130778234 /nfs/dbraw/zinc/77/82/34/1130778234.db2.gz NQUUBQQVSXHEFU-AWEZNQCLSA-N 0 1 285.362 3.999 20 0 CHADMN C[C@@H]1COc2ccccc2CN1Cc1ccc(CF)cc1 ZINC000782519622 1130781139 /nfs/dbraw/zinc/78/11/39/1130781139.db2.gz LTYLFMJBEORTQI-CQSZACIVSA-N 0 1 285.362 3.939 20 0 CHADMN CCOc1cc(CN(CC)Cc2ccccn2)ccc1F ZINC001235803517 1130781886 /nfs/dbraw/zinc/78/18/86/1130781886.db2.gz QBGXVIRIXAHIRA-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1ccc(F)nc1C ZINC001235815857 1130782555 /nfs/dbraw/zinc/78/25/55/1130782555.db2.gz ACTRCIVTAGLCBC-UHFFFAOYSA-N 0 1 276.330 3.690 20 0 CHADMN COc1nccc(CN(C)[C@H]2CC[C@H](C)CC2)c1Cl ZINC001235846887 1130786781 /nfs/dbraw/zinc/78/67/81/1130786781.db2.gz ZZAMTUFSIMJVJV-AULYBMBSSA-N 0 1 282.815 3.754 20 0 CHADMN Cc1nc2cc(CN3C[C@@H](C)C[C@H]3CF)ccc2s1 ZINC001235849282 1130787025 /nfs/dbraw/zinc/78/70/25/1130787025.db2.gz CYWXOJJHCTWJSC-GWCFXTLKSA-N 0 1 278.396 3.785 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2cccc(Br)n2)C1 ZINC000694469307 1130787650 /nfs/dbraw/zinc/78/76/50/1130787650.db2.gz OFWJZBKCVYCRFF-LBPRGKRZSA-N 0 1 297.240 3.712 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000813900345 1130796107 /nfs/dbraw/zinc/79/61/07/1130796107.db2.gz UAXRGFOSHCVIOO-INIZCTEOSA-N 0 1 295.427 3.968 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000813900345 1130796113 /nfs/dbraw/zinc/79/61/13/1130796113.db2.gz UAXRGFOSHCVIOO-INIZCTEOSA-N 0 1 295.427 3.968 20 0 CHADMN Oc1cc(Cl)cc(-c2cc3nc[nH]c3cc2F)c1 ZINC001235905348 1130801577 /nfs/dbraw/zinc/80/15/77/1130801577.db2.gz ZEDDBGSHRVHOFV-UHFFFAOYSA-N 0 1 262.671 3.728 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2nccnc2C)cc(C)c1F ZINC000783243960 1130806920 /nfs/dbraw/zinc/80/69/20/1130806920.db2.gz QBDWLZCZYMABTL-JSGCOSHPSA-N 0 1 287.382 3.953 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@@H]2CCC=CO2)cs1 ZINC000783310281 1130815282 /nfs/dbraw/zinc/81/52/82/1130815282.db2.gz NMEHAVKIMHFPNN-RYUDHWBXSA-N 0 1 266.410 3.610 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1cccc(C(F)F)c1 ZINC000783310744 1130815369 /nfs/dbraw/zinc/81/53/69/1130815369.db2.gz RKPDGZKGSNWSRS-NSHDSACASA-N 0 1 277.318 3.573 20 0 CHADMN Nc1ccc(CN2CC=C(c3ccccc3)CC2)cc1F ZINC001235962028 1130817994 /nfs/dbraw/zinc/81/79/94/1130817994.db2.gz HGPPXBSAWRYZHZ-UHFFFAOYSA-N 0 1 282.362 3.697 20 0 CHADMN Oc1c(F)cc(F)c(-c2ncnc3c(F)cccc32)c1F ZINC001235987218 1130822753 /nfs/dbraw/zinc/82/27/53/1130822753.db2.gz ZXXRMQMYDWWVRG-UHFFFAOYSA-N 0 1 294.207 3.559 20 0 CHADMN COC(=O)c1c(C)cccc1-c1c(F)cc(F)c(O)c1F ZINC001235996025 1130824428 /nfs/dbraw/zinc/82/44/28/1130824428.db2.gz RZSWCGVOGZDTKC-UHFFFAOYSA-N 0 1 296.244 3.572 20 0 CHADMN COc1cc(-c2c(F)cc(F)c(O)c2F)ccc1C ZINC001235995857 1130824979 /nfs/dbraw/zinc/82/49/79/1130824979.db2.gz HIRHKNZFZPKQTN-UHFFFAOYSA-N 0 1 268.234 3.794 20 0 CHADMN Cc1cc(-c2c(F)cc(F)c(O)c2F)nc2[nH]ccc21 ZINC001235990112 1130825195 /nfs/dbraw/zinc/82/51/95/1130825195.db2.gz NLRKADGJLXWUKR-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN Oc1c(F)cc(F)c(-c2cncc(C(F)F)c2)c1F ZINC001235998326 1130827826 /nfs/dbraw/zinc/82/78/26/1130827826.db2.gz LHVTWRLBAUTTQZ-UHFFFAOYSA-N 0 1 275.176 3.809 20 0 CHADMN CC(C)(C)c1ncc(-c2c(F)cc(F)c(O)c2F)cn1 ZINC001236001606 1130830347 /nfs/dbraw/zinc/83/03/47/1130830347.db2.gz BSGFLPJPUDFAQT-UHFFFAOYSA-N 0 1 282.265 3.564 20 0 CHADMN Cc1cc(CN2CCC(C3CC3)CC2)cnc1Cl ZINC000814172539 1130832879 /nfs/dbraw/zinc/83/28/79/1130832879.db2.gz RHKFNGZGGCRHCR-UHFFFAOYSA-N 0 1 264.800 3.665 20 0 CHADMN CC(C)C(N)=NOCc1cc(Cl)ccc1OC(F)F ZINC000774783208 1130833546 /nfs/dbraw/zinc/83/35/46/1130833546.db2.gz MOAXCFFYGYBUQU-UHFFFAOYSA-N 0 1 292.713 3.596 20 0 CHADMN S=c1nc2[nH]cnc(-c3cccc(C4CC4)c3)c-2s1 ZINC001236084317 1130853230 /nfs/dbraw/zinc/85/32/30/1130853230.db2.gz UTFOSVWWGZNELF-UHFFFAOYSA-N 0 1 285.397 3.919 20 0 CHADMN CC1(C)CN(Cc2ccc(N)c(F)c2)Cc2ccccc21 ZINC001236085559 1130853496 /nfs/dbraw/zinc/85/34/96/1130853496.db2.gz RMZYFFLMLNKUKY-UHFFFAOYSA-N 0 1 284.378 3.701 20 0 CHADMN Cc1cc2[nH]ccc2c(-c2cccnc2OC(C)C)n1 ZINC001236098696 1130860646 /nfs/dbraw/zinc/86/06/46/1130860646.db2.gz OJNNHSSMTURTCI-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN Cc1nc2cc(-c3cccnc3OC(C)C)ccc2[nH]1 ZINC001236104230 1130863472 /nfs/dbraw/zinc/86/34/72/1130863472.db2.gz VPZYEFGAIWIBNC-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN CCC1(C(=O)OCc2nnc(C(C)(C)C)[nH]2)CCCCC1 ZINC000814465661 1130875940 /nfs/dbraw/zinc/87/59/40/1130875940.db2.gz ZOICWSLNPHXTGN-UHFFFAOYSA-N 0 1 293.411 3.506 20 0 CHADMN CCC1(C(=O)OCc2n[nH]c(C(C)(C)C)n2)CCCCC1 ZINC000814465661 1130875944 /nfs/dbraw/zinc/87/59/44/1130875944.db2.gz ZOICWSLNPHXTGN-UHFFFAOYSA-N 0 1 293.411 3.506 20 0 CHADMN Nc1nc(CN2CCC[C@@H]2c2c[nH]c3ccccc32)cs1 ZINC001236195414 1130885585 /nfs/dbraw/zinc/88/55/85/1130885585.db2.gz ZYIRQCOAJDBPTE-OAHLLOKOSA-N 0 1 298.415 3.544 20 0 CHADMN Cc1cc(Cl)cc(CN2CCc3ccc(N)cc3C2)c1 ZINC001236233496 1130900615 /nfs/dbraw/zinc/90/06/15/1130900615.db2.gz JIINCZZSBRFUDB-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN CC(C)[C@@H](F)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000784378051 1130902496 /nfs/dbraw/zinc/90/24/96/1130902496.db2.gz IWLHQDIGVWKOHY-CQSZACIVSA-N 0 1 289.354 3.763 20 0 CHADMN CSCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000814727667 1130903502 /nfs/dbraw/zinc/90/35/02/1130903502.db2.gz SHAPHEMILFORQB-UHFFFAOYSA-N 0 1 271.798 3.538 20 0 CHADMN CCOc1ccc2nc(SCSCC)[nH]c2c1 ZINC000814720616 1130905393 /nfs/dbraw/zinc/90/53/93/1130905393.db2.gz LXRPEXSFLOBRHH-UHFFFAOYSA-N 0 1 268.407 3.764 20 0 CHADMN CC(C)[C@H](F)C(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000784504507 1130907524 /nfs/dbraw/zinc/90/75/24/1130907524.db2.gz IVWLUZCBLULSJY-PELKAZGASA-N 0 1 298.745 3.815 20 0 CHADMN CC(C)C(=O)Nc1ccc(-c2cccn3cncc23)cc1 ZINC001236270167 1130910031 /nfs/dbraw/zinc/91/00/31/1130910031.db2.gz ZHKFGLGTGFXTHE-UHFFFAOYSA-N 0 1 279.343 3.596 20 0 CHADMN CC1(C)[C@@H]2C[C@@H](N3CCc4c([nH]nc4C(F)(F)F)C3)C[C@@H]21 ZINC001170764649 1130910181 /nfs/dbraw/zinc/91/01/81/1130910181.db2.gz LCCLUEKEVHUUHD-GMTLJSCSSA-N 0 1 299.340 3.778 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)O[C@H]1CCc2ccccc21 ZINC000784878421 1130921722 /nfs/dbraw/zinc/92/17/22/1130921722.db2.gz GYMLDZLIVRDOMT-AWEZNQCLSA-N 0 1 284.359 3.686 20 0 CHADMN Cc1ccc(F)c(-c2nccc3scnc32)c1O ZINC001236394414 1130926201 /nfs/dbraw/zinc/92/62/01/1130926201.db2.gz XXTSBHKVOBPGAV-UHFFFAOYSA-N 0 1 260.293 3.511 20 0 CHADMN Cc1c(-c2cncc3cc[nH]c32)cnn1-c1ccccc1 ZINC001236405141 1130930570 /nfs/dbraw/zinc/93/05/70/1130930570.db2.gz STZVGQWCEKUUQD-UHFFFAOYSA-N 0 1 274.327 3.724 20 0 CHADMN CCC[C@@H](C(=O)c1ccccc1)N(C)Cc1cccc(N)c1 ZINC001236422294 1130937523 /nfs/dbraw/zinc/93/75/23/1130937523.db2.gz FFYITEYRTJGLOL-SFHVURJKSA-N 0 1 296.414 3.752 20 0 CHADMN CCc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1F ZINC000796893358 1130943259 /nfs/dbraw/zinc/94/32/59/1130943259.db2.gz YBKXCUCLMGSFKN-AWEZNQCLSA-N 0 1 259.328 3.601 20 0 CHADMN COc1cc(Cl)ccc1N[C@H]1CCCc2[nH]ncc21 ZINC000796946214 1130948012 /nfs/dbraw/zinc/94/80/12/1130948012.db2.gz BRUFMONEPCGBQJ-NSHDSACASA-N 0 1 277.755 3.561 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N(Cc2ccnc(Br)c2)C1 ZINC000815053633 1130952813 /nfs/dbraw/zinc/95/28/13/1130952813.db2.gz UUUVQRJEWJBMGK-VXGBXAGGSA-N 0 1 297.240 3.855 20 0 CHADMN Cn1ncc(CN[C@@H](c2ccccc2)C2CCC2)c1Cl ZINC000815124135 1130959567 /nfs/dbraw/zinc/95/95/67/1130959567.db2.gz WIHDDQGOOYETQO-HNNXBMFYSA-N 0 1 289.810 3.705 20 0 CHADMN C[N@H+](Cc1ccc(Br)c([O-])c1)C1CCCC1 ZINC001236687651 1130993902 /nfs/dbraw/zinc/99/39/02/1130993902.db2.gz NRMBFEYTWZRDBJ-UHFFFAOYSA-N 0 1 284.197 3.529 20 0 CHADMN C[N@@H+](Cc1ccc(Br)c([O-])c1)C1CCCC1 ZINC001236687651 1130993906 /nfs/dbraw/zinc/99/39/06/1130993906.db2.gz NRMBFEYTWZRDBJ-UHFFFAOYSA-N 0 1 284.197 3.529 20 0 CHADMN Cc1c(F)cc(Nc2cc([C@@H]3CCCCN3)no2)cc1F ZINC001159312937 1130970542 /nfs/dbraw/zinc/97/05/42/1130970542.db2.gz HIQVBQJBYWURPD-ZDUSSCGKSA-N 0 1 293.317 3.819 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1cc(F)cc2c1OCCC2 ZINC001236627551 1130985628 /nfs/dbraw/zinc/98/56/28/1130985628.db2.gz RIYAOEZYNQTXDJ-INIZCTEOSA-N 0 1 277.383 3.915 20 0 CHADMN COc1ccc2sc(CN(C)Cc3cccnc3)cc2c1 ZINC001236659070 1130990091 /nfs/dbraw/zinc/99/00/91/1130990091.db2.gz OFJHUOPJYBYUMF-UHFFFAOYSA-N 0 1 298.411 3.937 20 0 CHADMN CCOc1ncc(CN(C)Cc2cccc(C)c2)cc1F ZINC001236689334 1130994982 /nfs/dbraw/zinc/99/49/82/1130994982.db2.gz GUZYFUSNIRJBSI-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1ccc(F)c(O)c1 ZINC001236707167 1130996052 /nfs/dbraw/zinc/99/60/52/1130996052.db2.gz DWTRLVLWBYMLHJ-UHFFFAOYSA-N 0 1 277.314 3.693 20 0 CHADMN Cc1cc(CNCc2ccc(C)c(F)c2)cc(Cl)n1 ZINC000797594359 1130996321 /nfs/dbraw/zinc/99/63/21/1130996321.db2.gz MUCRIXQRDYILAE-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN Cc1c(F)ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1Cl ZINC001236719501 1130999128 /nfs/dbraw/zinc/99/91/28/1130999128.db2.gz QVRUCVISFCGRLJ-GVXVVHGQSA-N 0 1 271.738 3.720 20 0 CHADMN Cc1c(F)ccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c1Cl ZINC001236719501 1130999134 /nfs/dbraw/zinc/99/91/34/1130999134.db2.gz QVRUCVISFCGRLJ-GVXVVHGQSA-N 0 1 271.738 3.720 20 0 CHADMN COc1cccc2c1CN(Cc1cccc3occc31)CC2 ZINC001236735849 1131000659 /nfs/dbraw/zinc/00/06/59/1131000659.db2.gz UWGYJMVQVJKJKK-UHFFFAOYSA-N 0 1 293.366 4.000 20 0 CHADMN FC1(F)CC2(CN(Cc3cccc4occc43)C2)C1 ZINC001236736155 1131003176 /nfs/dbraw/zinc/00/31/76/1131003176.db2.gz ZCVXVRLWMSNDHT-UHFFFAOYSA-N 0 1 263.287 3.664 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2CCC[C@H](C)[C@@H]2C)c1 ZINC001236771814 1131004677 /nfs/dbraw/zinc/00/46/77/1131004677.db2.gz LPMQRDBVBMTYJM-RYUDHWBXSA-N 0 1 295.810 3.747 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2[C@@H](C)CCC[C@@H]2C)c1 ZINC001236761738 1131004941 /nfs/dbraw/zinc/00/49/41/1131004941.db2.gz AOVQKDQXYMHVTO-RYUDHWBXSA-N 0 1 295.810 3.890 20 0 CHADMN CCN(c1ccc(N[C@@H]2CCOC2(C)C)cc1)C(C)C ZINC000815601827 1131006955 /nfs/dbraw/zinc/00/69/55/1131006955.db2.gz GBSBXPHQCJBZFR-MRXNPFEDSA-N 0 1 276.424 3.901 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)N[C@H](CCO)c1ccco1 ZINC000815617397 1131009855 /nfs/dbraw/zinc/00/98/55/1131009855.db2.gz MMTUIHPFPQWAEP-IUODEOHRSA-N 0 1 277.339 3.501 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(C(C)(F)F)cc2)n(C)n1 ZINC000815637752 1131014488 /nfs/dbraw/zinc/01/44/88/1131014488.db2.gz FHOBVIHDSRFHSC-LBPRGKRZSA-N 0 1 293.361 3.691 20 0 CHADMN CC1=CCCN(Cc2ccc(CSC(F)F)o2)C1 ZINC000798090520 1131024639 /nfs/dbraw/zinc/02/46/39/1131024639.db2.gz NVBKOKDJAUZZDS-UHFFFAOYSA-N 0 1 273.348 3.887 20 0 CHADMN Cc1cccc2c1CCN(c1ccnc(C)c1Cl)C2 ZINC000798392221 1131036478 /nfs/dbraw/zinc/03/64/78/1131036478.db2.gz SFCKPYCIIBHVDS-UHFFFAOYSA-N 0 1 272.779 3.915 20 0 CHADMN CCc1cccc(NC(=O)c2ccc(Cl)c(O)c2)c1 ZINC001135304977 1131036796 /nfs/dbraw/zinc/03/67/96/1131036796.db2.gz ZPYITOCWHNGSBN-UHFFFAOYSA-N 0 1 275.735 3.860 20 0 CHADMN Cc1nn(C(C)C)cc1CNC(C)(C)c1ccc(F)cc1 ZINC000798494439 1131039205 /nfs/dbraw/zinc/03/92/05/1131039205.db2.gz NTWFPVOBOUQSOB-UHFFFAOYSA-N 0 1 289.398 3.936 20 0 CHADMN CN(C)Cc1cc(NCc2ccoc2)ccc1Cl ZINC000798503353 1131040217 /nfs/dbraw/zinc/04/02/17/1131040217.db2.gz IMXQJPJDNRZCNY-UHFFFAOYSA-N 0 1 264.756 3.607 20 0 CHADMN C[N@H+](Cc1cc(O)cc2ccccc21)C[C@@H]1CCCCO1 ZINC001237069153 1131045907 /nfs/dbraw/zinc/04/59/07/1131045907.db2.gz RFBKYJTXLOYMLB-KRWDZBQOSA-N 0 1 285.387 3.546 20 0 CHADMN Clc1ccc(CN2CC[C@H]2Cc2ccccc2)cn1 ZINC000748040074 1131046426 /nfs/dbraw/zinc/04/64/26/1131046426.db2.gz YITGZNGRHNNOLV-HNNXBMFYSA-N 0 1 272.779 3.552 20 0 CHADMN F[C@H]1CSC2(CN(Cc3ccc(C4CCC4)cc3)C2)C1 ZINC001237105969 1131050616 /nfs/dbraw/zinc/05/06/16/1131050616.db2.gz BFJZBFVLVLVZFV-MRXNPFEDSA-N 0 1 291.435 3.984 20 0 CHADMN CC(=O)[C@@H]1CCCN1Cc1ccc(C2CCC2)cc1 ZINC001237106674 1131051492 /nfs/dbraw/zinc/05/14/92/1131051492.db2.gz HWDCJDKFPRDJDA-KRWDZBQOSA-N 0 1 257.377 3.508 20 0 CHADMN Cc1c(CN2CC(c3ccccc3)C2)ccc(F)c1F ZINC001237164284 1131062376 /nfs/dbraw/zinc/06/23/76/1131062376.db2.gz ZCJLGNULYCZDDK-UHFFFAOYSA-N 0 1 273.326 3.873 20 0 CHADMN Cc1nn(C(C)C)cc1CN1Cc2ccccc2[C@H](C)C1 ZINC000798942179 1131062701 /nfs/dbraw/zinc/06/27/01/1131062701.db2.gz FRFVHHNGRFEBFS-CQSZACIVSA-N 0 1 283.419 3.892 20 0 CHADMN Cc1c(CN2CC[C@]3(CC3(F)F)C2)ccc(F)c1F ZINC001237164040 1131063019 /nfs/dbraw/zinc/06/30/19/1131063019.db2.gz VEXPPOYCVVBVBU-ZDUSSCGKSA-N 0 1 273.273 3.504 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](C)[C@@H]2C[C@H]2c2ccccc2)o1 ZINC000638925291 1131064742 /nfs/dbraw/zinc/06/47/42/1131064742.db2.gz MIOJBKAQQUIDDU-VRKREXBASA-N 0 1 270.376 3.826 20 0 CHADMN COc1ccc([C@H]2CC[N@H+](Cc3occc3[S-])C2)cc1 ZINC001237184761 1131065133 /nfs/dbraw/zinc/06/51/33/1131065133.db2.gz RESCCZPIKMGPQT-ZDUSSCGKSA-N 0 1 289.400 3.566 20 0 CHADMN COc1ccc([C@H]2CC[N@@H+](Cc3occc3[S-])C2)cc1 ZINC001237184761 1131065138 /nfs/dbraw/zinc/06/51/38/1131065138.db2.gz RESCCZPIKMGPQT-ZDUSSCGKSA-N 0 1 289.400 3.566 20 0 CHADMN [S-]c1ccoc1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001237178948 1131065291 /nfs/dbraw/zinc/06/52/91/1131065291.db2.gz MXABKXUIMSBEQA-CQSZACIVSA-N 0 1 273.401 3.633 20 0 CHADMN [S-]c1ccoc1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001237178948 1131065298 /nfs/dbraw/zinc/06/52/98/1131065298.db2.gz MXABKXUIMSBEQA-CQSZACIVSA-N 0 1 273.401 3.633 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1Cc1cnc(Cl)cn1 ZINC000799125009 1131070988 /nfs/dbraw/zinc/07/09/88/1131070988.db2.gz YDMHLNYYTMTFAC-DGCLKSJQSA-N 0 1 267.804 3.531 20 0 CHADMN CC(C)C[C@@H](C)CN(C)CC(=O)Nc1ccccc1Cl ZINC000799111470 1131070768 /nfs/dbraw/zinc/07/07/68/1131070768.db2.gz DOROTYHWMKOHOU-CYBMUJFWSA-N 0 1 296.842 3.893 20 0 CHADMN C[C@@H](c1ccccc1)N(Cc1cnc(Cl)cn1)C1CC1 ZINC000799129941 1131072639 /nfs/dbraw/zinc/07/26/39/1131072639.db2.gz ZQXWUHKNHXLOBC-LBPRGKRZSA-N 0 1 287.794 3.856 20 0 CHADMN FCCN1CCC(c2cccc(Br)c2)CC1 ZINC000799200045 1131076000 /nfs/dbraw/zinc/07/60/00/1131076000.db2.gz WZEXIUUNRXDGRW-UHFFFAOYSA-N 0 1 286.188 3.598 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CC[C@H](c2ccccn2)C1 ZINC000799195137 1131076086 /nfs/dbraw/zinc/07/60/86/1131076086.db2.gz WGGFKFOVDDLEIX-STQMWFEESA-N 0 1 288.341 3.910 20 0 CHADMN C[C@@H]1CCCN(Cc2ccncc2C(F)(F)F)[C@@H]1C ZINC001237289926 1131078623 /nfs/dbraw/zinc/07/86/23/1131078623.db2.gz IFHCFUVLZNYWFO-GHMZBOCLSA-N 0 1 272.314 3.721 20 0 CHADMN CC[C@H]1CCCCN1Cc1ccncc1C(F)(F)F ZINC001237288257 1131078859 /nfs/dbraw/zinc/07/88/59/1131078859.db2.gz BCYCMNQSTGSIEQ-LBPRGKRZSA-N 0 1 272.314 3.865 20 0 CHADMN CC[C@@H]1CCN(Cc2cc(O)c(C)cc2Br)C1 ZINC001237314520 1131080745 /nfs/dbraw/zinc/08/07/45/1131080745.db2.gz VCNZKWIHBYNQQH-LLVKDONJSA-N 0 1 298.224 3.695 20 0 CHADMN Cc1ccc(F)cc1NC(=O)c1ccc(Cl)c(O)c1 ZINC001135546299 1131082310 /nfs/dbraw/zinc/08/23/10/1131082310.db2.gz ATWVPPLCOFDHAG-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c1Cl ZINC001237335087 1131086853 /nfs/dbraw/zinc/08/68/53/1131086853.db2.gz SHFKYSPDPOPQGQ-MNOVXSKESA-N 0 1 288.218 3.505 20 0 CHADMN Cc1ccc(Cl)c(CN2CC[C@@H](CO)[C@H]2C)c1Cl ZINC001237335087 1131086857 /nfs/dbraw/zinc/08/68/57/1131086857.db2.gz SHFKYSPDPOPQGQ-MNOVXSKESA-N 0 1 288.218 3.505 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1cnccc1Br ZINC001237380466 1131091814 /nfs/dbraw/zinc/09/18/14/1131091814.db2.gz AVFRUYOOMDDIRV-CYBMUJFWSA-N 0 1 297.240 3.999 20 0 CHADMN CCCN(Cc1cnccc1Br)[C@@H](C)CC ZINC001237381270 1131092670 /nfs/dbraw/zinc/09/26/70/1131092670.db2.gz ALHJSQIXSDHPMB-NSHDSACASA-N 0 1 285.229 3.855 20 0 CHADMN COc1ccc2c(c1)[nH]nc2CN1CCC[C@@H]2CCCC[C@H]21 ZINC001237390915 1131094140 /nfs/dbraw/zinc/09/41/40/1131094140.db2.gz KSCMFBYJKHZGAB-SCLBCKFNSA-N 0 1 299.418 3.726 20 0 CHADMN Fc1ccc(CN2CC[C@H](C(F)(F)F)C2)c2ncccc12 ZINC001237428270 1131097336 /nfs/dbraw/zinc/09/73/36/1131097336.db2.gz GAJXGMXAPHUDOI-NSHDSACASA-N 0 1 298.283 3.758 20 0 CHADMN O=c1[nH]c2ccccc2c(Cl)c1CN1CCC(F)CC1 ZINC001237505259 1131106291 /nfs/dbraw/zinc/10/62/91/1131106291.db2.gz YJXKTOZHFAPAEN-UHFFFAOYSA-N 0 1 294.757 3.528 20 0 CHADMN Fc1cccc2c(CN3CCOC[C@H]3C3CC3)cccc12 ZINC001237519901 1131109663 /nfs/dbraw/zinc/10/96/63/1131109663.db2.gz XGBPTYDZALKOEI-SFHVURJKSA-N 0 1 285.362 3.590 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2cccc(-c3ccccc3)n2)C1 ZINC001237542320 1131112786 /nfs/dbraw/zinc/11/27/86/1131112786.db2.gz IQHBBZXRIOBIPP-YOEHRIQHSA-N 0 1 284.378 3.929 20 0 CHADMN COCc1ccccc1/C=C(\C)CN1CCC(F)(F)CC1 ZINC000816596658 1131114830 /nfs/dbraw/zinc/11/48/30/1131114830.db2.gz KZMUHQQDVYOAJP-SDNWHVSQSA-N 0 1 295.373 3.967 20 0 CHADMN COc1ccc(OC)c(CN2CCC[C@@H]3CCC[C@@H]32)c1F ZINC001237586915 1131117133 /nfs/dbraw/zinc/11/71/33/1131117133.db2.gz ZTGFZXGCSMYQMR-JSGCOSHPSA-N 0 1 293.382 3.607 20 0 CHADMN Cc1cc(Br)cc(CN2C[C@H](C)[C@@H]2C)c1 ZINC000816648087 1131118807 /nfs/dbraw/zinc/11/88/07/1131118807.db2.gz DLBKGZLTZAQZAL-QWRGUYRKSA-N 0 1 268.198 3.598 20 0 CHADMN CCCOc1ccc(CN2C[C@@H](C)[C@@H]2C)cc1OCC ZINC000816649435 1131120255 /nfs/dbraw/zinc/12/02/55/1131120255.db2.gz ZGAZYPAFRBTKEK-KGLIPLIRSA-N 0 1 277.408 3.714 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000816648102 1131120441 /nfs/dbraw/zinc/12/04/41/1131120441.db2.gz DSPRXUFUPVCCRE-VHSXEESVSA-N 0 1 291.288 3.607 20 0 CHADMN Cc1ccnc2cccc(CN3CCn4cccc4[C@@H]3C)c12 ZINC001237628403 1131121101 /nfs/dbraw/zinc/12/11/01/1131121101.db2.gz FXAJNKODOZVYSU-HNNXBMFYSA-N 0 1 291.398 3.922 20 0 CHADMN Cc1ccc(O)cc1-c1cc(Cl)c(O)cc1F ZINC001245671454 1131122971 /nfs/dbraw/zinc/12/29/71/1131122971.db2.gz IJYVSVFAUXXMBD-UHFFFAOYSA-N 0 1 252.672 3.866 20 0 CHADMN C[C@@H]1CN(Cc2ccc(-c3ccc(O)cc3)cc2)C[C@@H](C)O1 ZINC001237661466 1131124979 /nfs/dbraw/zinc/12/49/79/1131124979.db2.gz IWWALWDRISKNPD-HUUCEWRRSA-N 0 1 297.398 3.668 20 0 CHADMN CCc1[nH]ncc1CN(CC)Cc1c(F)cccc1Cl ZINC001237653876 1131125674 /nfs/dbraw/zinc/12/56/74/1131125674.db2.gz RRODQCFBCGOTPZ-UHFFFAOYSA-N 0 1 295.789 3.787 20 0 CHADMN Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@@H](OC(C)C)C2)c1 ZINC001237701959 1131129350 /nfs/dbraw/zinc/12/93/50/1131129350.db2.gz NSZJYUJRGABRAL-OAHLLOKOSA-N 0 1 281.827 3.956 20 0 CHADMN Cc1cc(CN(C)Cc2cccnc2)ccc1OC(C)C ZINC001237718774 1131132565 /nfs/dbraw/zinc/13/25/65/1131132565.db2.gz UGSUCYQBWAEGQT-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN Clc1cc2n[nH]cc2c(Nc2cccc3[nH]ncc32)c1 ZINC001159574560 1131133786 /nfs/dbraw/zinc/13/37/86/1131133786.db2.gz HFTCESWHLXIGJX-UHFFFAOYSA-N 0 1 283.722 3.836 20 0 CHADMN CC[C@H](C)CONC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000816976783 1131135737 /nfs/dbraw/zinc/13/57/37/1131135737.db2.gz KERYPIPMWAGOMZ-NSHDSACASA-N 0 1 283.799 3.712 20 0 CHADMN Cc1ccc2nc(NC(=O)/C=C3\CC[C@H](C)C3)[nH]c2c1 ZINC000817016987 1131136202 /nfs/dbraw/zinc/13/62/02/1131136202.db2.gz SMOBYJLUKBJWPY-LZAIMSLLSA-N 0 1 269.348 3.556 20 0 CHADMN Cc1cc(CN2C[C@H]3CCCC[C@]32c2ccccc2)nn1C ZINC001116303522 1131140016 /nfs/dbraw/zinc/14/00/16/1131140016.db2.gz XVFDJAWEQLEMIC-MJGOQNOKSA-N 0 1 295.430 3.630 20 0 CHADMN Cc1nc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)ccc1F ZINC001237819111 1131144466 /nfs/dbraw/zinc/14/44/66/1131144466.db2.gz AYTRZEBMJQWMGQ-OKILXGFUSA-N 0 1 282.362 3.616 20 0 CHADMN CCc1ncc(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)s1 ZINC001237821006 1131144817 /nfs/dbraw/zinc/14/48/17/1131144817.db2.gz IHCKJIGDBJPWAD-SNVBAGLBSA-N 0 1 274.380 3.573 20 0 CHADMN CCc1ncc(CN2CC[C@@H](C)C(F)(F)CC2)s1 ZINC001237821006 1131144818 /nfs/dbraw/zinc/14/48/18/1131144818.db2.gz IHCKJIGDBJPWAD-SNVBAGLBSA-N 0 1 274.380 3.573 20 0 CHADMN COc1cccc(CN(C)CC2CCC2)c1Br ZINC001237859733 1131145721 /nfs/dbraw/zinc/14/57/21/1131145721.db2.gz AEWFMYNVPRYYSY-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN COc1ccoc1CN1CCC[C@H]1c1cccs1 ZINC001237870869 1131146457 /nfs/dbraw/zinc/14/64/57/1131146457.db2.gz GVNFCLAIOHGNMG-NSHDSACASA-N 0 1 263.362 3.687 20 0 CHADMN Clc1ccc(CN2CC[C@H]3CCCC[C@@H]3C2)nc1 ZINC001116490290 1131150159 /nfs/dbraw/zinc/15/01/59/1131150159.db2.gz APZCJFQZOIAVIP-CHWSQXEVSA-N 0 1 264.800 3.747 20 0 CHADMN CCOc1cc(F)cc(CN(C)Cc2ccc(F)cc2)c1 ZINC001237914654 1131151730 /nfs/dbraw/zinc/15/17/30/1131151730.db2.gz PQJNPLOGGUKXGP-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc2cncn2c1C ZINC001116527698 1131152451 /nfs/dbraw/zinc/15/24/51/1131152451.db2.gz KNCVBVIGISNWPJ-WMLDXEAASA-N 0 1 299.418 3.731 20 0 CHADMN CS[C@@H]1CC[C@@H](N(C)Cc2ncc(C(C)C)s2)C1 ZINC001116576158 1131155819 /nfs/dbraw/zinc/15/58/19/1131155819.db2.gz PVGDNLKCTQMNQG-VXGBXAGGSA-N 0 1 284.494 3.982 20 0 CHADMN CS[C@H]1CC[C@H](N(C)Cc2ncc(C(C)C)s2)C1 ZINC001116576156 1131155987 /nfs/dbraw/zinc/15/59/87/1131155987.db2.gz PVGDNLKCTQMNQG-RYUDHWBXSA-N 0 1 284.494 3.982 20 0 CHADMN Cc1sccc1C[N@H+]1CC[C@H]1COCc1ccccc1 ZINC001237970658 1131156295 /nfs/dbraw/zinc/15/62/95/1131156295.db2.gz KMNTYEPMISTFIU-KRWDZBQOSA-N 0 1 287.428 3.848 20 0 CHADMN Cc1sccc1CN1CC[C@H]1COCc1ccccc1 ZINC001237970658 1131156297 /nfs/dbraw/zinc/15/62/97/1131156297.db2.gz KMNTYEPMISTFIU-KRWDZBQOSA-N 0 1 287.428 3.848 20 0 CHADMN Cc1sccc1C[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001237975297 1131157023 /nfs/dbraw/zinc/15/70/23/1131157023.db2.gz ZDMSTKLEFMQGMB-MRXNPFEDSA-N 0 1 279.449 3.838 20 0 CHADMN Cc1sccc1CN1CCOC[C@@H]1C1CCCCC1 ZINC001237975297 1131157025 /nfs/dbraw/zinc/15/70/25/1131157025.db2.gz ZDMSTKLEFMQGMB-MRXNPFEDSA-N 0 1 279.449 3.838 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cc(F)c([O-])c(Cl)c2)[C@H]1C ZINC001237990849 1131157898 /nfs/dbraw/zinc/15/78/98/1131157898.db2.gz ZKVBAUBUJMRKJI-ZJUUUORDSA-N 0 1 271.763 3.805 20 0 CHADMN Oc1ccc(-c2nc(CN3C4CCC3CC4)cs2)cc1 ZINC001237981291 1131157958 /nfs/dbraw/zinc/15/79/58/1131157958.db2.gz RGNUNQKSHYUTFN-UHFFFAOYSA-N 0 1 286.400 3.643 20 0 CHADMN CC1(C)CCN(Cc2csc(-c3ccc(O)cc3)n2)C1 ZINC001237980909 1131157977 /nfs/dbraw/zinc/15/79/77/1131157977.db2.gz ORKXOMLVBGCWTL-UHFFFAOYSA-N 0 1 288.416 3.748 20 0 CHADMN C[C@@H]1CCCC[N@H+]1Cc1cc(F)c([O-])c(Cl)c1 ZINC001237990731 1131158430 /nfs/dbraw/zinc/15/84/30/1131158430.db2.gz PYYSLLIUMXOYLC-SECBINFHSA-N 0 1 257.736 3.559 20 0 CHADMN C[C@H]1c2cccn2CCN1Cc1cc(F)c(O)c(Cl)c1 ZINC001237994227 1131159570 /nfs/dbraw/zinc/15/95/70/1131159570.db2.gz DCJTZAUFIOVVHH-JTQLQIEISA-N 0 1 294.757 3.563 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cc(F)c([O-])c(Cl)c2)[C@@H](C)C1 ZINC001237994547 1131159654 /nfs/dbraw/zinc/15/96/54/1131159654.db2.gz FBGXVXMCNLWVIY-UWVGGRQHSA-N 0 1 271.763 3.805 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]1Cc1cc(F)c([O-])c(Cl)c1 ZINC001237993989 1131159728 /nfs/dbraw/zinc/15/97/28/1131159728.db2.gz XYWPKOCAWLOKNV-CYBMUJFWSA-N 0 1 271.763 3.805 20 0 CHADMN Clc1ccc2c(c1)n[nH]c2C[N@H+]1CCCC2(CCC2)C1 ZINC001237997638 1131159754 /nfs/dbraw/zinc/15/97/54/1131159754.db2.gz FCHGETFGOYPUHV-UHFFFAOYSA-N 0 1 289.810 3.982 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1NCc1ncoc1C(C)C ZINC001116743793 1131162420 /nfs/dbraw/zinc/16/24/20/1131162420.db2.gz YPNTWIOIQLLLQT-GXTWGEPZSA-N 0 1 282.453 3.952 20 0 CHADMN C[C@@H]1CCCN(Cc2cnc(F)cc2Cl)C[C@H]1C ZINC001238018642 1131162545 /nfs/dbraw/zinc/16/25/45/1131162545.db2.gz VERHOSWHHPGOAB-GHMZBOCLSA-N 0 1 270.779 3.742 20 0 CHADMN C[C@@H]1CCCN(Cc2cnc(F)cc2Cl)C[C@@H]1C ZINC001238018645 1131162858 /nfs/dbraw/zinc/16/28/58/1131162858.db2.gz VERHOSWHHPGOAB-MNOVXSKESA-N 0 1 270.779 3.742 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC[C@](C)(O)CC2)c1F ZINC001138030341 1131163617 /nfs/dbraw/zinc/16/36/17/1131163617.db2.gz BFFSFRDFDWMZPW-HNNXBMFYSA-N 0 1 285.790 3.524 20 0 CHADMN COc1ccc(C(F)(F)F)c(CN2CCCCC2)c1 ZINC001238053915 1131165591 /nfs/dbraw/zinc/16/55/91/1131165591.db2.gz SHFUMRUBPUNABV-UHFFFAOYSA-N 0 1 273.298 3.700 20 0 CHADMN COc1ccc(C(F)(F)F)c(CN2CCC[C@@H]2C)c1 ZINC001238054363 1131165724 /nfs/dbraw/zinc/16/57/24/1131165724.db2.gz XIKLBENIHMDGJE-JTQLQIEISA-N 0 1 273.298 3.698 20 0 CHADMN Oc1ccc(Cl)c(CN2CCC(C3CC3)CC2)c1 ZINC001170871197 1131166826 /nfs/dbraw/zinc/16/68/26/1131166826.db2.gz PSRBQZPZBKURMZ-UHFFFAOYSA-N 0 1 265.784 3.668 20 0 CHADMN COc1ccc(Nc2ccc3c[nH]nc3c2)c(F)c1F ZINC001159662269 1131169709 /nfs/dbraw/zinc/16/97/09/1131169709.db2.gz UYBWGELPDVTJQE-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN C[C@@H](NC(=O)C(F)F)c1cc(Cl)cc(Cl)c1F ZINC000830380075 1131169989 /nfs/dbraw/zinc/16/99/89/1131169989.db2.gz ALNMQROIVYJYEL-SCSAIBSYSA-N 0 1 286.080 3.575 20 0 CHADMN Cc1cc(CN2CC3(C2)CCOCC3)cc(C)c1Cl ZINC001238091980 1131170678 /nfs/dbraw/zinc/17/06/78/1131170678.db2.gz VULCMTWMGWCAIQ-UHFFFAOYSA-N 0 1 279.811 3.569 20 0 CHADMN Oc1cc(F)c(CN2CCCC[C@H](F)C2)cc1Cl ZINC001238143904 1131173791 /nfs/dbraw/zinc/17/37/91/1131173791.db2.gz QHHLXYHIQOKPMN-JTQLQIEISA-N 0 1 275.726 3.509 20 0 CHADMN Oc1cc(F)c(CN2CCCCC(F)(F)C2)cc1Cl ZINC001238143607 1131174221 /nfs/dbraw/zinc/17/42/21/1131174221.db2.gz OPKZOLXTPKIGRE-UHFFFAOYSA-N 0 1 293.716 3.806 20 0 CHADMN Cc1cc(CN[C@H]2CCc3nc(Cl)ccc32)cc(C)n1 ZINC000817588123 1131174364 /nfs/dbraw/zinc/17/43/64/1131174364.db2.gz BUUSSXIKWOIDMN-AWEZNQCLSA-N 0 1 287.794 3.524 20 0 CHADMN COc1c(C)cnc(CN(C)Cc2ccc(C)c(C)c2)c1C ZINC001238176198 1131175753 /nfs/dbraw/zinc/17/57/53/1131175753.db2.gz HBHNKFNIWBALLN-UHFFFAOYSA-N 0 1 298.430 3.956 20 0 CHADMN Cc1ccc(CN(C)Cc2cncc(C3CC3)c2)cc1 ZINC001238185986 1131177238 /nfs/dbraw/zinc/17/72/38/1131177238.db2.gz RZMBXWZKASOLKE-UHFFFAOYSA-N 0 1 266.388 3.899 20 0 CHADMN c1cncc([C@@H]2CCCN2Cc2cncc(C3CC3)c2)c1 ZINC001238188555 1131177866 /nfs/dbraw/zinc/17/78/66/1131177866.db2.gz XQBRJBNNKLIBPK-SFHVURJKSA-N 0 1 279.387 3.691 20 0 CHADMN Cc1cccc2c1CN(Cc1cccc(-c3cc[nH]n3)c1)C2 ZINC001238198368 1131181191 /nfs/dbraw/zinc/18/11/91/1131181191.db2.gz YVUDSMXZLLYYRC-UHFFFAOYSA-N 0 1 289.382 3.901 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)[C@@](C)(O)CC2)c(F)cc1Cl ZINC001238300026 1131188387 /nfs/dbraw/zinc/18/83/87/1131188387.db2.gz OZDFZUJNRDQNER-WBMJQRKESA-N 0 1 299.817 3.770 20 0 CHADMN Cc1cc(CN2CC(C)(C)C[C@]2(C)CO)c(F)cc1Cl ZINC001238301365 1131188596 /nfs/dbraw/zinc/18/85/96/1131188596.db2.gz XALWZFCAYRWVFV-MRXNPFEDSA-N 0 1 299.817 3.770 20 0 CHADMN CN(C)c1ncccc1CN1CCC[C@H]1c1cccc(F)c1 ZINC001117569654 1131188811 /nfs/dbraw/zinc/18/88/11/1131188811.db2.gz QEPSTNQLBDMBHK-KRWDZBQOSA-N 0 1 299.393 3.624 20 0 CHADMN Cc1cc(CN(C)CCc2cccnc2)c(F)cc1Cl ZINC001238301819 1131188987 /nfs/dbraw/zinc/18/89/87/1131188987.db2.gz CCFMMGAAXMHWMK-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN COC[C@H]1CCCCN1Cc1cccc(F)c1OC(C)C ZINC001238318520 1131189329 /nfs/dbraw/zinc/18/93/29/1131189329.db2.gz MQIRIBMDCGBZSX-OAHLLOKOSA-N 0 1 295.398 3.614 20 0 CHADMN CCN(CCn1ccnc1)Cc1cc(C)c(Cl)cc1F ZINC001238307180 1131189941 /nfs/dbraw/zinc/18/99/41/1131189941.db2.gz USSCDCAPWICLGQ-UHFFFAOYSA-N 0 1 295.789 3.506 20 0 CHADMN CCCN(CC)Cc1c(F)ccc(Cl)c1OC ZINC001238334626 1131191572 /nfs/dbraw/zinc/19/15/72/1131191572.db2.gz IHHGXQHZEWKVJN-UHFFFAOYSA-N 0 1 259.752 3.720 20 0 CHADMN COc1ccc(CN2CCCC3(CCCC3)C2)c(F)c1O ZINC001238356858 1131192234 /nfs/dbraw/zinc/19/22/34/1131192234.db2.gz FVVPTBOIRGOWJH-UHFFFAOYSA-N 0 1 293.382 3.696 20 0 CHADMN CSC1CCN(Cc2cccc(OC(C)C)c2F)CC1 ZINC001238423346 1131197965 /nfs/dbraw/zinc/19/79/65/1131197965.db2.gz AJRVZVKOZAZVQS-UHFFFAOYSA-N 0 1 297.439 3.940 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@@H](C)C2)ncc1Cl ZINC001238424030 1131198100 /nfs/dbraw/zinc/19/81/00/1131198100.db2.gz VBAOSTRXUHFFED-GHMZBOCLSA-N 0 1 252.789 3.521 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC3(CCO3)CC2)c1F ZINC001138034794 1131199527 /nfs/dbraw/zinc/19/95/27/1131199527.db2.gz UHVCKFDHQKCOEY-UHFFFAOYSA-N 0 1 283.774 3.542 20 0 CHADMN CC(C)Oc1ccc(CN2CCC[C@H](F)CC2)c(F)c1 ZINC001238443776 1131200899 /nfs/dbraw/zinc/20/08/99/1131200899.db2.gz HGKZLKDOXPZGIA-AWEZNQCLSA-N 0 1 283.362 3.937 20 0 CHADMN CCN(Cc1cccs1)Cc1ncc(C)cc1C ZINC001238439482 1131201090 /nfs/dbraw/zinc/20/10/90/1131201090.db2.gz GIBPCNJBVQOVJH-UHFFFAOYSA-N 0 1 260.406 3.782 20 0 CHADMN COc1c(CN2CC[C@@H](C)C[C@@H]2C)ccc(F)c1F ZINC001238474101 1131205995 /nfs/dbraw/zinc/20/59/95/1131205995.db2.gz UOPMDSMAOPQNIE-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN Cc1ccc(OC(C)C)cc1CN(C)Cc1ccccn1 ZINC001238477597 1131206251 /nfs/dbraw/zinc/20/62/51/1131206251.db2.gz OFNSSWQBXUJQSV-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN Cc1ccc(OC(C)C)cc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001238481372 1131207449 /nfs/dbraw/zinc/20/74/49/1131207449.db2.gz OCEMICOOPJQKAM-BHYGNILZSA-N 0 1 277.383 3.572 20 0 CHADMN CCO[C@H]1CCC[N@@H+](Cc2ccc(F)c(C3CC3)c2)C1 ZINC001238502028 1131210287 /nfs/dbraw/zinc/21/02/87/1131210287.db2.gz REFOYVHHUNIUCT-HNNXBMFYSA-N 0 1 277.383 3.704 20 0 CHADMN Cc1cc(CN2CC3(COC3)C2)ccc1Oc1ccccc1 ZINC001238526253 1131213353 /nfs/dbraw/zinc/21/33/53/1131213353.db2.gz OFQQMWNNVWMYHQ-UHFFFAOYSA-N 0 1 295.382 3.620 20 0 CHADMN CC(C)Oc1c(F)ccc(CN(C)CC2CC2)c1F ZINC001238528636 1131213845 /nfs/dbraw/zinc/21/38/45/1131213845.db2.gz WPRYFXABJNRQCO-UHFFFAOYSA-N 0 1 269.335 3.594 20 0 CHADMN CC(C)Oc1c(F)ccc(CN2CCC[C@H](C)C2)c1F ZINC001238533441 1131214080 /nfs/dbraw/zinc/21/40/80/1131214080.db2.gz XKHXTUYIQOAFNW-LBPRGKRZSA-N 0 1 283.362 3.984 20 0 CHADMN COC[C@@H]1CCN1Cc1ccc(F)c(-c2ccccc2)c1 ZINC001238548816 1131214737 /nfs/dbraw/zinc/21/47/37/1131214737.db2.gz NPYHTPIBTILSNW-INIZCTEOSA-N 0 1 285.362 3.713 20 0 CHADMN COCCN(Cc1cc(C)ccc1Cl)C(C)C ZINC001238555790 1131214746 /nfs/dbraw/zinc/21/47/46/1131214746.db2.gz FCPNUWGEKSRCPE-UHFFFAOYSA-N 0 1 255.789 3.505 20 0 CHADMN Cc1cnc(-c2ccccc2)c(CN2CCC[C@H](F)C2)c1 ZINC001238612668 1131221408 /nfs/dbraw/zinc/22/14/08/1131221408.db2.gz GGTGGGZLLOOFLO-KRWDZBQOSA-N 0 1 284.378 3.991 20 0 CHADMN CCC1CCN(Cc2cnc(F)c(OC(C)C)c2)CC1 ZINC001238602589 1131222151 /nfs/dbraw/zinc/22/21/51/1131222151.db2.gz GHJCDGAUDDASIO-UHFFFAOYSA-N 0 1 280.387 3.630 20 0 CHADMN Cc1cc(CN2CCc3ccccc3C2)cnc1C1CC1 ZINC001238616073 1131222512 /nfs/dbraw/zinc/22/25/12/1131222512.db2.gz KUGKRPDIVMTZQJ-UHFFFAOYSA-N 0 1 278.399 3.826 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccccn2)cnc1C1CC1 ZINC001238617295 1131223694 /nfs/dbraw/zinc/22/36/94/1131223694.db2.gz JZRFLCIDNCYQSM-SFHVURJKSA-N 0 1 293.414 4.000 20 0 CHADMN Cc1cc(CN(C)[C@@H]2CCCOC2)cnc1-c1ccccc1 ZINC001238619236 1131223792 /nfs/dbraw/zinc/22/37/92/1131223792.db2.gz OZHBEOIVDSFCTR-GOSISDBHSA-N 0 1 296.414 3.668 20 0 CHADMN Cc1cc(CN2CCC(C(F)F)CC2)cnc1C1CC1 ZINC001238629403 1131225499 /nfs/dbraw/zinc/22/54/99/1131225499.db2.gz YETWNZNMLSAUDE-UHFFFAOYSA-N 0 1 280.362 3.745 20 0 CHADMN Cc1ccc(CN2CCCC23CC3)c(Br)c1 ZINC001137803328 1131417469 /nfs/dbraw/zinc/41/74/69/1131417469.db2.gz ZKZAGDBTIVXGQM-UHFFFAOYSA-N 0 1 280.209 3.886 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCCCC[C@H]2C(C)C)c1 ZINC001137856791 1131425131 /nfs/dbraw/zinc/42/51/31/1131425131.db2.gz KEDUWPMIMWAFGB-INIZCTEOSA-N 0 1 299.418 3.912 20 0 CHADMN Fc1c(CN2C3CCCC2CCC3)ccnc1Cl ZINC000823471214 1131429145 /nfs/dbraw/zinc/42/91/45/1131429145.db2.gz REEIRDAOZHSYAJ-UHFFFAOYSA-N 0 1 268.763 3.781 20 0 CHADMN C[C@H]1CCCN(Cc2cc(F)c(F)cc2F)CC1 ZINC001137886642 1131429776 /nfs/dbraw/zinc/42/97/76/1131429776.db2.gz PBRUJIMGQVDCOV-JTQLQIEISA-N 0 1 257.299 3.726 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cc(F)ncc2F)s1 ZINC000823697451 1131437656 /nfs/dbraw/zinc/43/76/56/1131437656.db2.gz KDPQKDMSYNZYPR-SECBINFHSA-N 0 1 268.332 3.581 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2c1CCN2 ZINC001160278567 1131437976 /nfs/dbraw/zinc/43/79/76/1131437976.db2.gz RIJMFWMNKQREAJ-UHFFFAOYSA-N 0 1 264.332 3.583 20 0 CHADMN Cc1ccc(SCc2n[nH]c(C(C)C)n2)s1 ZINC000830056856 1131443277 /nfs/dbraw/zinc/44/32/77/1131443277.db2.gz IVSLIBFVPZZMDQ-UHFFFAOYSA-N 0 1 253.396 3.590 20 0 CHADMN CCN(C)c1ccccc1CNCc1ccc(C)cc1OC ZINC000823802287 1131443425 /nfs/dbraw/zinc/44/34/25/1131443425.db2.gz XYMXQTYRXYCKMG-UHFFFAOYSA-N 0 1 298.430 3.750 20 0 CHADMN C[C@H]1CC/C(=C/C(=O)Nc2cccc3c2CN(C2CC2)C3)C1 ZINC001137992652 1131448159 /nfs/dbraw/zinc/44/81/59/1131448159.db2.gz FWPUGEDALPPLGJ-ODUNQGDFSA-N 0 1 296.414 3.850 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(Cl)c(N)c1 ZINC001160304786 1131451249 /nfs/dbraw/zinc/45/12/49/1131451249.db2.gz MIUWKUHUWZYSOG-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)N(C)Cc1cn[nH]c1C ZINC000824056278 1131452344 /nfs/dbraw/zinc/45/23/44/1131452344.db2.gz GWTNFXLAMRDXDF-INIZCTEOSA-N 0 1 279.428 3.673 20 0 CHADMN Cc1ccc(F)c(CN2CCC3(CC3)C2)c1Cl ZINC001138022570 1131452485 /nfs/dbraw/zinc/45/24/85/1131452485.db2.gz DZZAUPOZEYAMLN-UHFFFAOYSA-N 0 1 253.748 3.773 20 0 CHADMN Cc1cccc(C)c1CNCc1ccnc(Cl)c1F ZINC000824023299 1131452824 /nfs/dbraw/zinc/45/28/24/1131452824.db2.gz OVMMULJBKFKHKY-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN Cc1ccc(F)c(CN2C3CCC2CC3)c1Cl ZINC001138027813 1131454051 /nfs/dbraw/zinc/45/40/51/1131454051.db2.gz JVUSIJGPVSYZGR-UHFFFAOYSA-N 0 1 253.748 3.914 20 0 CHADMN Cc1ccc(Cl)c(CN2CC[C@H]3O[C@@H](C)C[C@H]3C2)c1F ZINC001138032122 1131455404 /nfs/dbraw/zinc/45/54/04/1131455404.db2.gz TZQDDYDAKFDVJK-SLEUVZQESA-N 0 1 297.801 3.787 20 0 CHADMN Cn1nc(C2CC2)cc1CNCc1ccc(C(F)F)cc1 ZINC000824176291 1131458220 /nfs/dbraw/zinc/45/82/20/1131458220.db2.gz LOGIZFXHFCMAQC-UHFFFAOYSA-N 0 1 291.345 3.525 20 0 CHADMN Clc1cccc2[nH]c(CN3C[C@H]4CC[C@@H]3C4)cc21 ZINC001136862743 1131465900 /nfs/dbraw/zinc/46/59/00/1131465900.db2.gz ZDZSHDSFHIVIHA-CMPLNLGQSA-N 0 1 260.768 3.806 20 0 CHADMN Fc1cc(CN2CCC[C@@H](c3ccccc3)C2)c(F)cn1 ZINC000824432809 1131468455 /nfs/dbraw/zinc/46/84/55/1131468455.db2.gz CRLWBNKMHQNMCF-CQSZACIVSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1ccc(F)c(CN2CCC3(CCC3)C2)c1F ZINC001138119770 1131469172 /nfs/dbraw/zinc/46/91/72/1131469172.db2.gz SEFOWKXGGSMAHH-UHFFFAOYSA-N 0 1 251.320 3.649 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H](COCC3CC3)C2)c1F ZINC001138119905 1131469185 /nfs/dbraw/zinc/46/91/85/1131469185.db2.gz UUHQQZWWFOJHPY-AWEZNQCLSA-N 0 1 295.373 3.522 20 0 CHADMN Cc1ccc(F)c(CN(CCCCCO)C(C)C)c1F ZINC001138121120 1131470305 /nfs/dbraw/zinc/47/03/05/1131470305.db2.gz XKOXRPFBSMCJNR-UHFFFAOYSA-N 0 1 285.378 3.646 20 0 CHADMN Clc1cccc2c1CC[C@H](N1CCc3cccnc3C1)C2 ZINC001171057038 1131471564 /nfs/dbraw/zinc/47/15/64/1131471564.db2.gz SKFUBABVVCUJNH-HNNXBMFYSA-N 0 1 298.817 3.651 20 0 CHADMN C[C@]1(F)CCCCN(Cc2c[nH]nc2-c2cccs2)C1 ZINC001138150924 1131472820 /nfs/dbraw/zinc/47/28/20/1131472820.db2.gz BSBLPJSMHBXINN-HNNXBMFYSA-N 0 1 293.411 3.852 20 0 CHADMN c1csc(-c2n[nH]cc2CN2CC(c3ccccc3)C2)c1 ZINC001138156269 1131473043 /nfs/dbraw/zinc/47/30/43/1131473043.db2.gz JEVRPJFOHAIZON-UHFFFAOYSA-N 0 1 295.411 3.738 20 0 CHADMN CCC1CCN(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC001138239754 1131481429 /nfs/dbraw/zinc/48/14/29/1131481429.db2.gz OXYQGPKCELGPEY-UHFFFAOYSA-N 0 1 281.783 3.691 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)C1 ZINC001138244797 1131481501 /nfs/dbraw/zinc/48/15/01/1131481501.db2.gz KBCYMABHTRHQAO-LLVKDONJSA-N 0 1 281.783 3.691 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2cc3c(cc2Cl)OCO3)C1 ZINC001138245235 1131481686 /nfs/dbraw/zinc/48/16/86/1131481686.db2.gz VFHIRFJNKXALAQ-GHMZBOCLSA-N 0 1 281.783 3.547 20 0 CHADMN C[C@@H]1CCN(Cc2nc3ccccc3s2)[C@H](C)C1 ZINC001136955124 1131486986 /nfs/dbraw/zinc/48/69/86/1131486986.db2.gz WNVBTPZLWKOWES-VXGBXAGGSA-N 0 1 260.406 3.917 20 0 CHADMN c1ccc2sc(CN3CCCCC34CC4)nc2c1 ZINC001136956039 1131487857 /nfs/dbraw/zinc/48/78/57/1131487857.db2.gz FOCMJEJPXWDSMC-UHFFFAOYSA-N 0 1 258.390 3.815 20 0 CHADMN Cc1ccc2c(CN3Cc4ccccc4C3)c[nH]c2c1 ZINC001136967767 1131490356 /nfs/dbraw/zinc/49/03/56/1131490356.db2.gz RAZAWDMIDRNOPH-UHFFFAOYSA-N 0 1 262.356 3.992 20 0 CHADMN CCN(c1ccc(N[C@@H]2CO[C@@H](C3CC3)C2)cc1)C(C)C ZINC000824963369 1131491448 /nfs/dbraw/zinc/49/14/48/1131491448.db2.gz QEDRBZZVVVMYFM-FUHWJXTLSA-N 0 1 288.435 3.901 20 0 CHADMN CCc1cccc2c(CN3CCC[C@H](F)C3)c[nH]c21 ZINC001138360998 1131495091 /nfs/dbraw/zinc/49/50/91/1131495091.db2.gz GTEXGXZWBKTRGC-AWEZNQCLSA-N 0 1 260.356 3.664 20 0 CHADMN COc1c(F)cc(CN2CCC3(CCC3)CC2)cc1F ZINC001138420775 1131502377 /nfs/dbraw/zinc/50/23/77/1131502377.db2.gz FVUSAHJRJHBWKU-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN COc1c(F)cc(CN2CCC23CCCCC3)cc1F ZINC001138420784 1131502515 /nfs/dbraw/zinc/50/25/15/1131502515.db2.gz GALVHNVVDKKLJJ-UHFFFAOYSA-N 0 1 281.346 3.882 20 0 CHADMN Fc1ccc([C@H]2CCCN2C[C@@H]2CCC=CO2)c(F)c1 ZINC000825214925 1131502553 /nfs/dbraw/zinc/50/25/53/1131502553.db2.gz BDSLATPKGBIYQO-XJKSGUPXSA-N 0 1 279.330 3.794 20 0 CHADMN Cc1ccc2[nH]c(CN3CC(C)(C)OC(C)(C)C3)cc2c1 ZINC001138418643 1131502729 /nfs/dbraw/zinc/50/27/29/1131502729.db2.gz WQQQGKGNEDIZCY-UHFFFAOYSA-N 0 1 286.419 3.866 20 0 CHADMN CCN(Cc1cc2cc(C)ccc2[nH]1)Cc1cccnc1 ZINC001138419974 1131502879 /nfs/dbraw/zinc/50/28/79/1131502879.db2.gz JNINCFPQLLLTGK-UHFFFAOYSA-N 0 1 279.387 3.893 20 0 CHADMN COc1ncc(CN(C)Cc2ccc(C)c(C)c2)cc1C ZINC001137009312 1131504266 /nfs/dbraw/zinc/50/42/66/1131504266.db2.gz AOMJNVSTSUSMER-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN COc1c(C)cc(CN2CCOc3ccccc3C2)cc1C ZINC001138430394 1131504554 /nfs/dbraw/zinc/50/45/54/1131504554.db2.gz DCZHKPMOTVJOJT-UHFFFAOYSA-N 0 1 297.398 3.707 20 0 CHADMN CCOc1ccc2ccccc2c1CN1CCC[C@H]1C(C)=O ZINC001138445093 1131506817 /nfs/dbraw/zinc/50/68/17/1131506817.db2.gz UYSNQQRQSWSNPB-SFHVURJKSA-N 0 1 297.398 3.792 20 0 CHADMN Cc1ccc(NC(=O)Nc2ccc(F)c(F)c2O)cc1C ZINC001202828877 1131507560 /nfs/dbraw/zinc/50/75/60/1131507560.db2.gz YFNBOAOZNQUNTN-UHFFFAOYSA-N 0 1 292.285 3.931 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2ccc3c(c2)COC3)cn1 ZINC001137028627 1131509503 /nfs/dbraw/zinc/50/95/03/1131509503.db2.gz WQOVMSRQXQTQRF-LJQANCHMSA-N 0 1 294.398 3.757 20 0 CHADMN COc1ccc(Cl)cc1CN1CCC(C)(F)CC1 ZINC001138479861 1131511841 /nfs/dbraw/zinc/51/18/41/1131511841.db2.gz HFRWZHAJDJNGAK-UHFFFAOYSA-N 0 1 271.763 3.673 20 0 CHADMN Clc1cccc2c1CN(Cc1ccc3nc[nH]c3c1)C2 ZINC001137047716 1131515135 /nfs/dbraw/zinc/51/51/35/1131515135.db2.gz IDHCENOMAJTZHR-UHFFFAOYSA-N 0 1 283.762 3.732 20 0 CHADMN CCCc1ccc(CN2CCc3cnccc3C2)s1 ZINC001138523425 1131516167 /nfs/dbraw/zinc/51/61/67/1131516167.db2.gz DZOASKNTXCWMFE-UHFFFAOYSA-N 0 1 272.417 3.654 20 0 CHADMN CC/C=C(/F)C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831884675 1131517621 /nfs/dbraw/zinc/51/76/21/1131517621.db2.gz JLCVFTPCMHTILD-FIKOHSHLSA-N 0 1 293.386 3.503 20 0 CHADMN CCCCCC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831917820 1131520157 /nfs/dbraw/zinc/52/01/57/1131520157.db2.gz FAVLXKAFJUHWQN-CQSZACIVSA-N 0 1 291.439 3.819 20 0 CHADMN CN(CCc1cccnc1)Cc1ccc(F)c(Cl)c1F ZINC001143626058 1131520374 /nfs/dbraw/zinc/52/03/74/1131520374.db2.gz GDNUEDZFQPQQAN-UHFFFAOYSA-N 0 1 296.748 3.688 20 0 CHADMN COc1ccc(CN2C[C@H]3CC[C@@H]2C3)cc1C(F)(F)F ZINC001143644795 1131521411 /nfs/dbraw/zinc/52/14/11/1131521411.db2.gz KBCNFRQTTMLVPV-CMPLNLGQSA-N 0 1 285.309 3.698 20 0 CHADMN Cc1cccc2c1CCN(Cc1c[nH]nc1C(C)(C)C)C2 ZINC001138574785 1131523707 /nfs/dbraw/zinc/52/37/07/1131523707.db2.gz DRWBRTZMGUIWOA-UHFFFAOYSA-N 0 1 283.419 3.574 20 0 CHADMN C[C@@H]1CN(Cc2c[nH]nc2C(C)(C)C)Cc2ccccc21 ZINC001138575644 1131523784 /nfs/dbraw/zinc/52/37/84/1131523784.db2.gz WQOGBMPNBHSCRL-CYBMUJFWSA-N 0 1 283.419 3.827 20 0 CHADMN COc1ccc2c(C[N@@H+](Cc3ccco3)C3CC3)c[nH]c2c1 ZINC001138592036 1131524213 /nfs/dbraw/zinc/52/42/13/1131524213.db2.gz KQPOOGPPEFLNMQ-UHFFFAOYSA-N 0 1 296.370 3.934 20 0 CHADMN COc1ccc2c(CN(Cc3ccco3)C3CC3)c[nH]c2c1 ZINC001138592036 1131524215 /nfs/dbraw/zinc/52/42/15/1131524215.db2.gz KQPOOGPPEFLNMQ-UHFFFAOYSA-N 0 1 296.370 3.934 20 0 CHADMN FCC1CCN(Cc2cccn2-c2ccccc2F)CC1 ZINC001138632926 1131530555 /nfs/dbraw/zinc/53/05/55/1131530555.db2.gz LIQXKADFDDMTGU-UHFFFAOYSA-N 0 1 290.357 3.798 20 0 CHADMN Fc1ccccc1-n1cccc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001138634496 1131530928 /nfs/dbraw/zinc/53/09/28/1131530928.db2.gz SFDAMNWZMQAJBR-DUVNUKRYSA-N 0 1 288.341 3.549 20 0 CHADMN Cc1c(F)cc(F)cc1CN1CCC(OC2CCC2)CC1 ZINC001143758030 1131531521 /nfs/dbraw/zinc/53/15/21/1131531521.db2.gz UXWLTWJNTLPLAV-UHFFFAOYSA-N 0 1 295.373 3.807 20 0 CHADMN CCCn1ncc(CN(CC)Cc2ccc(C)cc2)c1C ZINC001138641408 1131532242 /nfs/dbraw/zinc/53/22/42/1131532242.db2.gz DSCTUUCTSBXRNC-UHFFFAOYSA-N 0 1 285.435 3.932 20 0 CHADMN Clc1[nH]c2ccccc2c1CN1CCC[C@@]2(CCO2)C1 ZINC001138687293 1131537403 /nfs/dbraw/zinc/53/74/03/1131537403.db2.gz DBCUTCABDBPYQT-MRXNPFEDSA-N 0 1 290.794 3.576 20 0 CHADMN CN(C)Cc1ccc(-c2cncc(OC(F)F)c2)cc1F ZINC000844229084 1131538727 /nfs/dbraw/zinc/53/87/27/1131538727.db2.gz NCPHEVIJDQWXEF-UHFFFAOYSA-N 0 1 296.292 3.551 20 0 CHADMN C[C@H]1CCCN(Cc2ccnc(Br)c2)C[C@H]1C ZINC001138731413 1131543882 /nfs/dbraw/zinc/54/38/82/1131543882.db2.gz RTYYAXQGSKXKJD-NWDGAFQWSA-N 0 1 297.240 3.712 20 0 CHADMN CCCCc1ccc(CN2CC3(CSC3)C2)s1 ZINC001138755073 1131547444 /nfs/dbraw/zinc/54/74/44/1131547444.db2.gz LKTVZYLHECAOPR-UHFFFAOYSA-N 0 1 267.463 3.640 20 0 CHADMN COc1ccc(Cl)c(CN(C)C2CCCC2)c1F ZINC001143898577 1131549813 /nfs/dbraw/zinc/54/98/13/1131549813.db2.gz YVPUGFKRPRPGEO-UHFFFAOYSA-N 0 1 271.763 3.862 20 0 CHADMN COc1ccc(CN2CCC[C@](C)(F)CC2)c(F)c1F ZINC001143903263 1131550793 /nfs/dbraw/zinc/55/07/93/1131550793.db2.gz DKBWFDQXSPGTQR-HNNXBMFYSA-N 0 1 287.325 3.688 20 0 CHADMN Fc1ccc([C@@H]2CCCN2Cc2cccc3ccnn32)cc1 ZINC001138804791 1131551682 /nfs/dbraw/zinc/55/16/82/1131551682.db2.gz WKLXZKNRIDHKKM-SFHVURJKSA-N 0 1 295.361 3.811 20 0 CHADMN CCCN(CCC)Cc1c(F)ccc(OCC)c1F ZINC001143929274 1131553130 /nfs/dbraw/zinc/55/31/30/1131553130.db2.gz GSRHJKUQUMISIA-UHFFFAOYSA-N 0 1 271.351 3.986 20 0 CHADMN CCC[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)cc(F)c1O ZINC001143917607 1131553844 /nfs/dbraw/zinc/55/38/44/1131553844.db2.gz JGWBAYQFUSXUPI-HZMBPMFUSA-N 0 1 297.345 3.759 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(F)cnc2Cl)C[C@@H]1C ZINC001138891172 1131557624 /nfs/dbraw/zinc/55/76/24/1131557624.db2.gz OJQYFGARHMMJJM-MNOVXSKESA-N 0 1 270.779 3.742 20 0 CHADMN C[C@H]1CN(Cc2ccc(Br)o2)CCC[C@@H]1C ZINC001138903612 1131559099 /nfs/dbraw/zinc/55/90/99/1131559099.db2.gz DHPQTRVGYHCLMZ-QWRGUYRKSA-N 0 1 286.213 3.910 20 0 CHADMN COc1ccc(F)c(CN2CCC[C@@H](C)[C@@H](C)C2)c1F ZINC001143970046 1131560616 /nfs/dbraw/zinc/56/06/16/1131560616.db2.gz FTZNZRDMPDUBAO-NEPJUHHUSA-N 0 1 283.362 3.841 20 0 CHADMN FC1(F)[C@H]2CN(Cc3cnc(-c4ccccc4)s3)C[C@H]21 ZINC000844451995 1131562728 /nfs/dbraw/zinc/56/27/28/1131562728.db2.gz LRUQFHVBEFGAAU-BETUJISGSA-N 0 1 292.354 3.507 20 0 CHADMN CCCCOc1cccc(CN2CCOC[C@H]2C(C)C)c1 ZINC001138956788 1131564492 /nfs/dbraw/zinc/56/44/92/1131564492.db2.gz RVBCMYLRXBPRRJ-SFHVURJKSA-N 0 1 291.435 3.722 20 0 CHADMN CCC(CC)n1ccc(CN2CCC[C@]3(CC3(F)F)C2)n1 ZINC000844439939 1131564661 /nfs/dbraw/zinc/56/46/61/1131564661.db2.gz ZAJVYPNRQJNCJV-HNNXBMFYSA-N 0 1 297.393 3.865 20 0 CHADMN CCC(CC)n1ccc(CN2CCC[C@@]3(CC3(F)F)C2)n1 ZINC000844439941 1131565474 /nfs/dbraw/zinc/56/54/74/1131565474.db2.gz ZAJVYPNRQJNCJV-OAHLLOKOSA-N 0 1 297.393 3.865 20 0 CHADMN CCC(=O)Oc1ccc(CN(C)Cc2cccs2)cc1 ZINC001138964282 1131566603 /nfs/dbraw/zinc/56/66/03/1131566603.db2.gz MBPRBSCVPJCUMI-UHFFFAOYSA-N 0 1 289.400 3.696 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CC[C@@H](C)C1 ZINC001139006511 1131570833 /nfs/dbraw/zinc/57/08/33/1131570833.db2.gz VKWFZCVXPPNOGU-LLVKDONJSA-N 0 1 253.773 3.581 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CCC(CF)CC1 ZINC001139009408 1131571527 /nfs/dbraw/zinc/57/15/27/1131571527.db2.gz MAGQUMYFOTYZDQ-UHFFFAOYSA-N 0 1 285.790 3.920 20 0 CHADMN c1csc(-c2ccc(CN3CC4(C3)CCOC4)s2)c1 ZINC001139017558 1131572555 /nfs/dbraw/zinc/57/25/55/1131572555.db2.gz SBSCIOOTZDLBKY-UHFFFAOYSA-N 0 1 291.441 3.699 20 0 CHADMN c1csc(-c2ccc(CN3CC[C@]34CCOC4)s2)c1 ZINC001139020152 1131573225 /nfs/dbraw/zinc/57/32/25/1131573225.db2.gz YHBPUGXXJFHIRY-OAHLLOKOSA-N 0 1 291.441 3.841 20 0 CHADMN CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C(C)(C)C)C1 ZINC001139049763 1131575874 /nfs/dbraw/zinc/57/58/74/1131575874.db2.gz KHXFRFFVXQYAKR-JKSUJKDBSA-N 0 1 294.483 3.536 20 0 CHADMN C[C@H](NCc1nnc(C(C)(C)C)o1)[C@H]1CCC[C@@H](C)C1 ZINC000832691239 1131577411 /nfs/dbraw/zinc/57/74/11/1131577411.db2.gz ODKCXOQOBMSVCZ-AGIUHOORSA-N 0 1 279.428 3.672 20 0 CHADMN Clc1cc(CN2CCC3(CCC3)CC2)cc2c1OCO2 ZINC001139072654 1131579571 /nfs/dbraw/zinc/57/95/71/1131579571.db2.gz QEBAAPOWSJFBIY-UHFFFAOYSA-N 0 1 293.794 3.835 20 0 CHADMN CCCC(C)(C)C(=O)N(Cc1cnc[nH]1)Cc1ccccc1 ZINC001144114653 1131585136 /nfs/dbraw/zinc/58/51/36/1131585136.db2.gz BTNZHNHZPTYBRN-UHFFFAOYSA-N 0 1 299.418 3.765 20 0 CHADMN CCn1ccc2c1cccc2CN1CCc2ncsc2C1 ZINC001139159492 1131588749 /nfs/dbraw/zinc/58/87/49/1131588749.db2.gz ZFMGRKYZOBHPPB-UHFFFAOYSA-N 0 1 297.427 3.676 20 0 CHADMN c1cc2c(s1)CCN(Cc1ccc3cccnc3c1)C2 ZINC001139165514 1131590591 /nfs/dbraw/zinc/59/05/91/1131590591.db2.gz DKMXZXUQRSOJBR-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN CCCCc1nc(Cl)c(CN2C[C@H](C)C[C@H](C)C2)[nH]1 ZINC001139179126 1131591595 /nfs/dbraw/zinc/59/15/95/1131591595.db2.gz GOCFGISNZUQWRV-TXEJJXNPSA-N 0 1 283.847 3.884 20 0 CHADMN Cn1ccc2cc(CN3CCOC4(CCCCC4)C3)ccc21 ZINC001139191021 1131593578 /nfs/dbraw/zinc/59/35/78/1131593578.db2.gz CFWWGLAPQWDGMX-UHFFFAOYSA-N 0 1 298.430 3.713 20 0 CHADMN Cc1ccccc1CN(C)Cc1[nH]nc2ccc(F)cc21 ZINC001144196422 1131595731 /nfs/dbraw/zinc/59/57/31/1131595731.db2.gz GIHDGVJDLCBVGP-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN Cc1cccc(CN(Cc2cnc(N)s2)C2CC2)c1C ZINC001139228947 1131599161 /nfs/dbraw/zinc/59/91/61/1131599161.db2.gz HRISLOXMMFZSAG-UHFFFAOYSA-N 0 1 287.432 3.507 20 0 CHADMN Cc1cc(Br)cc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c1 ZINC001144222319 1131600627 /nfs/dbraw/zinc/60/06/27/1131600627.db2.gz QRVZADMXFTXRJV-UBHSHLNASA-N 0 1 298.199 3.690 20 0 CHADMN C[C@@]1(CF)CCN(Cc2sccc2Br)C1 ZINC001139309401 1131601750 /nfs/dbraw/zinc/60/17/50/1131601750.db2.gz WMSAHEHSQDCPJD-NSHDSACASA-N 0 1 292.217 3.692 20 0 CHADMN Oc1ccc2cc(CN3CC4(C3)CC(F)(F)C4)ccc2c1 ZINC001139337587 1131602258 /nfs/dbraw/zinc/60/22/58/1131602258.db2.gz UORLVZYOFGGTKQ-UHFFFAOYSA-N 0 1 289.325 3.777 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2cscc2Br)C1 ZINC001139349821 1131604131 /nfs/dbraw/zinc/60/41/31/1131604131.db2.gz ISSHYUVQFHEBGI-AOOOYVTPSA-N 0 1 288.254 3.989 20 0 CHADMN c1cc(-c2ccccc2)sc1CN1CCN(C2CC2)CC1 ZINC001139411323 1131607037 /nfs/dbraw/zinc/60/70/37/1131607037.db2.gz GGJZDXSICRIPMN-UHFFFAOYSA-N 0 1 298.455 3.695 20 0 CHADMN c1cc(-c2ccccc2)sc1CN1CC(N2CCCC2)C1 ZINC001139414399 1131607814 /nfs/dbraw/zinc/60/78/14/1131607814.db2.gz NQPVNVFCMGIFFZ-UHFFFAOYSA-N 0 1 298.455 3.695 20 0 CHADMN CC(=O)[C@@H]1CCCN1Cc1ccc(-c2ccccc2)s1 ZINC001139416749 1131608344 /nfs/dbraw/zinc/60/83/44/1131608344.db2.gz XBQGVNLKNNKHPY-INIZCTEOSA-N 0 1 285.412 3.969 20 0 CHADMN CSCCN(C)Cc1ccc(-c2ccsc2)nc1 ZINC001139502648 1131611558 /nfs/dbraw/zinc/61/15/58/1131611558.db2.gz SMENSJXCRBVHIQ-UHFFFAOYSA-N 0 1 278.446 3.605 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)ccc12 ZINC001144304414 1131614972 /nfs/dbraw/zinc/61/49/72/1131614972.db2.gz SWBPJUXVECLZIM-AGIUHOORSA-N 0 1 283.375 3.636 20 0 CHADMN FC1CC2(C1)CCCN(Cc1cccc(Cl)n1)CC2 ZINC001139552210 1131615925 /nfs/dbraw/zinc/61/59/25/1131615925.db2.gz QGGMNPAREOGDHL-UHFFFAOYSA-N 0 1 282.790 3.839 20 0 CHADMN FC(F)[C@H]1CCCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC001139555211 1131616892 /nfs/dbraw/zinc/61/68/92/1131616892.db2.gz QZGJETVONWEWES-ZDUSSCGKSA-N 0 1 291.345 3.554 20 0 CHADMN COc1ccc(CN(C)Cc2ccccn2)cc1C(C)C ZINC001139616703 1131622856 /nfs/dbraw/zinc/62/28/56/1131622856.db2.gz OTUICZGOVSUMMZ-UHFFFAOYSA-N 0 1 284.403 3.846 20 0 CHADMN CCOc1ccncc1CN1CCC(c2ccccc2)CC1 ZINC001139625809 1131624407 /nfs/dbraw/zinc/62/44/07/1131624407.db2.gz DMHLXMCCXURJQQ-UHFFFAOYSA-N 0 1 296.414 3.860 20 0 CHADMN Cc1ccc(CCN(C)Cc2ccnc(Cl)c2F)cc1 ZINC001139664534 1131626639 /nfs/dbraw/zinc/62/66/39/1131626639.db2.gz UQKNSQDJEYWYAS-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN CCC1(C[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)COC1 ZINC001202958864 1131628046 /nfs/dbraw/zinc/62/80/46/1131628046.db2.gz XKFGUTGNSSGNFJ-OAHLLOKOSA-N 0 1 281.346 3.528 20 0 CHADMN COC[C@@H](CC(C)(C)C)NCc1c(F)cccc1F ZINC001202971198 1131636953 /nfs/dbraw/zinc/63/69/53/1131636953.db2.gz PODDHDNFHXMQKV-LLVKDONJSA-N 0 1 271.351 3.506 20 0 CHADMN CCCCN(Cc1cnc(OC)s1)Cc1ccccc1 ZINC001139817224 1131638711 /nfs/dbraw/zinc/63/87/11/1131638711.db2.gz CURBDACTFCMKJC-UHFFFAOYSA-N 0 1 290.432 3.954 20 0 CHADMN COc1ncc(CN2CCC(c3cccs3)CC2)s1 ZINC001139817446 1131639193 /nfs/dbraw/zinc/63/91/93/1131639193.db2.gz QGBBEXBGCXPBOI-UHFFFAOYSA-N 0 1 294.445 3.593 20 0 CHADMN COCc1ccc(CN2CCC[C@@H](C(F)(F)F)C2)s1 ZINC001139826881 1131639952 /nfs/dbraw/zinc/63/99/52/1131639952.db2.gz FJMNFQQNZVAHHX-SNVBAGLBSA-N 0 1 293.354 3.669 20 0 CHADMN Cc1cnc2c(c1)CN(Cc1ccccc1C1CC1)CC2 ZINC001139883090 1131645445 /nfs/dbraw/zinc/64/54/45/1131645445.db2.gz AWUBHEZHKIXYCI-UHFFFAOYSA-N 0 1 278.399 3.826 20 0 CHADMN COc1cc2c(cn1)CCN(Cc1ccccc1C1CC1)C2 ZINC001139884140 1131646507 /nfs/dbraw/zinc/64/65/07/1131646507.db2.gz WYYUORABDMGZCV-UHFFFAOYSA-N 0 1 294.398 3.526 20 0 CHADMN F[C@H]1CCCCN(Cc2cncc3ccccc32)C1 ZINC001139893776 1131648538 /nfs/dbraw/zinc/64/85/38/1131648538.db2.gz JZZXSIPDFOIWMT-HNNXBMFYSA-N 0 1 258.340 3.559 20 0 CHADMN FC[C@H]1CCCN1Cc1ccc(F)c2ccccc12 ZINC001139893289 1131649288 /nfs/dbraw/zinc/64/92/88/1131649288.db2.gz NZSUYAJRLNVMMG-CYBMUJFWSA-N 0 1 261.315 3.913 20 0 CHADMN FC1(F)CCC[N@@H+](Cc2cc3ccccc3cn2)CC1 ZINC001139994555 1131654850 /nfs/dbraw/zinc/65/48/50/1131654850.db2.gz AQRAHSPNKWIAQZ-UHFFFAOYSA-N 0 1 276.330 3.856 20 0 CHADMN Cc1ccnc(NCCC[C@@H]2CC2(Cl)Cl)c1 ZINC000845745731 1131654936 /nfs/dbraw/zinc/65/49/36/1131654936.db2.gz VABFUHZBPLQVLV-SNVBAGLBSA-N 0 1 259.180 3.776 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1cnc(Cl)nc1 ZINC001139991192 1131654965 /nfs/dbraw/zinc/65/49/65/1131654965.db2.gz HFOFHCQHKOXYLW-CQSZACIVSA-N 0 1 275.783 3.713 20 0 CHADMN CCC[C@@H]1CCCC[N@@H+]1Cc1c(F)cc([O-])cc1F ZINC001144554980 1131656281 /nfs/dbraw/zinc/65/62/81/1131656281.db2.gz PNXHTXGMJLXVND-LLVKDONJSA-N 0 1 269.335 3.825 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1c(F)cc([O-])cc1F ZINC001144554980 1131656283 /nfs/dbraw/zinc/65/62/83/1131656283.db2.gz PNXHTXGMJLXVND-LLVKDONJSA-N 0 1 269.335 3.825 20 0 CHADMN Oc1ccc(CN2CC(c3ccccc3)C2)c(Cl)c1 ZINC001140083261 1131662801 /nfs/dbraw/zinc/66/28/01/1131662801.db2.gz LBNQZPASOUZQLM-UHFFFAOYSA-N 0 1 273.763 3.645 20 0 CHADMN CC[C@@H](Nc1ccnc(C)c1F)c1ccccc1C ZINC001171201119 1131665679 /nfs/dbraw/zinc/66/56/79/1131665679.db2.gz GTABVJBEUYQHGZ-CQSZACIVSA-N 0 1 258.340 3.823 20 0 CHADMN CCN(Cc1ccc(C)c(C)c1)Cc1cccc(F)n1 ZINC001140135756 1131666309 /nfs/dbraw/zinc/66/63/09/1131666309.db2.gz PVYMGQKQLRKPJK-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN Fc1cccc(CN2CCC3(C=Cc4ccccc43)CC2)n1 ZINC001140131601 1131667023 /nfs/dbraw/zinc/66/70/23/1131667023.db2.gz OPLASEKZKBRGSO-UHFFFAOYSA-N 0 1 294.373 3.781 20 0 CHADMN F[C@@H]1CN(Cc2cccc3cnccc32)CCCC1(F)F ZINC001140142302 1131667698 /nfs/dbraw/zinc/66/76/98/1131667698.db2.gz DACUEUKESOGPAQ-OAHLLOKOSA-N 0 1 294.320 3.804 20 0 CHADMN COc1cc(CN2CCCC[C@@](C)(F)C2)ccc1C ZINC001140156397 1131669317 /nfs/dbraw/zinc/66/93/17/1131669317.db2.gz FKSGVCKPYJXVKF-MRXNPFEDSA-N 0 1 265.372 3.718 20 0 CHADMN C[C@@H]1CN(Cc2ccc(-c3ccncc3)cc2)CCCC1=O ZINC001140168632 1131671128 /nfs/dbraw/zinc/67/11/28/1131671128.db2.gz JBPKXNVLPDQNDC-OAHLLOKOSA-N 0 1 294.398 3.550 20 0 CHADMN CCC[N@@H+](Cc1cc(F)c([O-])cc1F)[C@@H](C)CC ZINC001144646723 1131673207 /nfs/dbraw/zinc/67/32/07/1131673207.db2.gz IIPISWLLISWQBD-JTQLQIEISA-N 0 1 257.324 3.681 20 0 CHADMN CC(C)O[C@H]1CCCN(Cc2cc(Cl)cs2)C1 ZINC000846013822 1131677676 /nfs/dbraw/zinc/67/76/76/1131677676.db2.gz DWZMURFUZWCCLB-LBPRGKRZSA-N 0 1 273.829 3.791 20 0 CHADMN Cc1ccccc1C1(NCc2cc(F)ncc2F)CCC1 ZINC000845995559 1131678975 /nfs/dbraw/zinc/67/89/75/1131678975.db2.gz VMBHCWRPOASCOE-UHFFFAOYSA-N 0 1 288.341 3.837 20 0 CHADMN CCCN(CCC)c1ccc(N[C@@H]2CCOC2)cc1 ZINC000846058227 1131679911 /nfs/dbraw/zinc/67/99/11/1131679911.db2.gz OBQCLVYCQRGTCR-OAHLLOKOSA-N 0 1 262.397 3.514 20 0 CHADMN CCCN(CCC)c1ccc(NC2CCOCC2)cc1 ZINC000846059553 1131680482 /nfs/dbraw/zinc/68/04/82/1131680482.db2.gz YBQJFEZAMGTDNY-UHFFFAOYSA-N 0 1 276.424 3.904 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1sccc1C(=O)[O-] ZINC001144678378 1131680900 /nfs/dbraw/zinc/68/09/00/1131680900.db2.gz YGKMSULMWVVMOX-NSHDSACASA-N 0 1 267.394 3.601 20 0 CHADMN Fc1ccc(-c2ccc(CN3C[C@H]4[C@@H](C3)C4(F)F)o2)cc1 ZINC000846112667 1131687544 /nfs/dbraw/zinc/68/75/44/1131687544.db2.gz WKFKCVZAYSVBMU-OKILXGFUSA-N 0 1 293.288 3.783 20 0 CHADMN CCc1cccc(C[NH2+]Cc2ccc([O-])c(Cl)c2)c1 ZINC000846100795 1131688956 /nfs/dbraw/zinc/68/89/56/1131688956.db2.gz TWDRUBMIJCSCRD-UHFFFAOYSA-N 0 1 275.779 3.898 20 0 CHADMN CC[C@H](NCc1cccc2c1OCCO2)c1ccsc1 ZINC000834650304 1131689978 /nfs/dbraw/zinc/68/99/78/1131689978.db2.gz IWSICMWFYPQXBS-AWEZNQCLSA-N 0 1 289.400 3.760 20 0 CHADMN CCCN(Cc1c(F)ccc(F)c1OC)CC1CC1 ZINC001144744832 1131700038 /nfs/dbraw/zinc/70/00/38/1131700038.db2.gz GZOULWQDSDVZGC-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCc4c(F)cccc4C3)c2c1 ZINC001140333128 1131700443 /nfs/dbraw/zinc/70/04/43/1131700443.db2.gz CCWMXUSVHCCFTC-UHFFFAOYSA-N 0 1 295.361 3.569 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3nccs3)c2)C[C@@H]1F ZINC001140335649 1131701793 /nfs/dbraw/zinc/70/17/93/1131701793.db2.gz JETCUZFHKJSISQ-RISCZKNCSA-N 0 1 276.380 3.600 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCC[C@@H](C)[C@H](C)C1 ZINC001144749015 1131702293 /nfs/dbraw/zinc/70/22/93/1131702293.db2.gz HLGFSTFKXVDGCA-VXGBXAGGSA-N 0 1 283.362 3.841 20 0 CHADMN C/C(=C/C[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000846252251 1131704206 /nfs/dbraw/zinc/70/42/06/1131704206.db2.gz WMKSKZALZPEDBK-OZVXOSDZSA-N 0 1 287.403 3.594 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cc3ccccc3s2)[C@@H](C(=O)[O-])C1 ZINC000846281165 1131704856 /nfs/dbraw/zinc/70/48/56/1131704856.db2.gz UDUBUPDVRITYOB-SMDDNHRTSA-N 0 1 289.400 3.586 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1ccc(-c2ccccn2)cc1 ZINC001140376638 1131709185 /nfs/dbraw/zinc/70/91/85/1131709185.db2.gz GUYKHVPHXUEDLZ-CZUORRHYSA-N 0 1 270.351 3.681 20 0 CHADMN CC(C)(C)CCCCNC(=O)c1ccc(Cl)c(O)c1 ZINC001144905282 1131719228 /nfs/dbraw/zinc/71/92/28/1131719228.db2.gz SIBPUZZMEMDUNT-UHFFFAOYSA-N 0 1 283.799 3.992 20 0 CHADMN COc1ccc(C)cc1CN[C@H](C)c1ccnc(Cl)c1 ZINC000772950485 1131721048 /nfs/dbraw/zinc/72/10/48/1131721048.db2.gz ITHCLKDYFROLBE-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1cc(Cl)cc(Cl)c1O[C@@H]1CN2CCC1CC2 ZINC001227724734 1131728807 /nfs/dbraw/zinc/72/88/07/1131728807.db2.gz LYHCTBHNRJDLFR-CYBMUJFWSA-N 0 1 286.202 3.775 20 0 CHADMN Clc1ccc2ncc(CN3CC4CCC(CC4)C3)n2c1 ZINC001140432464 1131734750 /nfs/dbraw/zinc/73/47/50/1131734750.db2.gz NGQLQUSFKQGRAP-UHFFFAOYSA-N 0 1 289.810 3.610 20 0 CHADMN CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(O)c(Cl)c1 ZINC000042431703 1131736223 /nfs/dbraw/zinc/73/62/23/1131736223.db2.gz GUFVXLYHFMOULS-GWCFXTLKSA-N 0 1 281.783 3.744 20 0 CHADMN CC(C)(NCc1cnc(Cl)c(F)c1)c1ccccc1 ZINC000846795938 1131737359 /nfs/dbraw/zinc/73/73/59/1131737359.db2.gz AEVKDFCSOCPUQN-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN C[C@@H]1CCN(Cc2ccccc2-c2nccs2)C[C@H]1F ZINC001140449675 1131743927 /nfs/dbraw/zinc/74/39/27/1131743927.db2.gz UCFOLWRLWAHNPF-IUODEOHRSA-N 0 1 290.407 3.990 20 0 CHADMN COc1ccc([C@H](C)NCc2cnc(Cl)c(F)c2)cc1 ZINC000846843517 1131748917 /nfs/dbraw/zinc/74/89/17/1131748917.db2.gz RFMPARDXVYXCKA-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN C[C@@H](NCC1(Br)CC1)c1ccc(F)cc1F ZINC000846839176 1131749529 /nfs/dbraw/zinc/74/95/29/1131749529.db2.gz FBHFMEHJJKPCJB-MRVPVSSYSA-N 0 1 290.151 3.543 20 0 CHADMN C[C@H](NCC1(Br)CC1)c1ccc(F)cc1F ZINC000846839177 1131749721 /nfs/dbraw/zinc/74/97/21/1131749721.db2.gz FBHFMEHJJKPCJB-QMMMGPOBSA-N 0 1 290.151 3.543 20 0 CHADMN Fc1ccccc1C1(NCc2ccc3nonc3c2)CCC1 ZINC000847009397 1131770674 /nfs/dbraw/zinc/77/06/74/1131770674.db2.gz JGKTYZYAAVLOBV-UHFFFAOYSA-N 0 1 297.333 3.531 20 0 CHADMN Fc1cc(Cl)cc(CN2CCC3(CC3)CC2)c1 ZINC001140537385 1131784432 /nfs/dbraw/zinc/78/44/32/1131784432.db2.gz REGMGTXVCMIVGC-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN CCCCC[C@@H](NC(=O)[C@@H]1CCN1C(C)(C)C)C(C)(C)C ZINC001146539049 1131790219 /nfs/dbraw/zinc/79/02/19/1131790219.db2.gz NXVUDYKOYNSLED-LSDHHAIUSA-N 0 1 296.499 3.970 20 0 CHADMN CCCCC[C@H](NC(=O)[C@H]1CCN1C(C)(C)C)C(C)(C)C ZINC001146539046 1131791368 /nfs/dbraw/zinc/79/13/68/1131791368.db2.gz NXVUDYKOYNSLED-CABCVRRESA-N 0 1 296.499 3.970 20 0 CHADMN Cc1nc2cccc(C(=O)NCC[C@@H]3CCCC[C@@H]3C)c2[nH]1 ZINC001146708635 1131794733 /nfs/dbraw/zinc/79/47/33/1131794733.db2.gz HIAXOTWBWCNXTQ-JSGCOSHPSA-N 0 1 299.418 3.818 20 0 CHADMN CCN1CCC[C@H](Oc2cc(C)ccc2Br)C1 ZINC001228054194 1131797545 /nfs/dbraw/zinc/79/75/45/1131797545.db2.gz ZTUYTULBEYTFMF-LBPRGKRZSA-N 0 1 298.224 3.621 20 0 CHADMN Cc1cc(CN2CCSC[C@@H]2c2ccccc2)ccc1O ZINC001140579023 1131804799 /nfs/dbraw/zinc/80/47/99/1131804799.db2.gz JLFMRWDKCPFYSL-QGZVFWFLSA-N 0 1 299.439 3.991 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2cccc(O)c2)cc(Cl)n1 ZINC000797590476 1131808344 /nfs/dbraw/zinc/80/83/44/1131808344.db2.gz BTJPFYBVJLCEGU-GFCCVEGCSA-N 0 1 290.794 3.942 20 0 CHADMN CC1(C)CC[C@@H](Nc2cc(Cl)nc3[nH]cnc32)C1 ZINC001161033891 1131817948 /nfs/dbraw/zinc/81/79/48/1131817948.db2.gz SLERMZXMYWRTDS-MRVPVSSYSA-N 0 1 264.760 3.602 20 0 CHADMN CN(Cc1cc(Cl)ncc1F)C1CCCCC1 ZINC001140603194 1131822456 /nfs/dbraw/zinc/82/24/56/1131822456.db2.gz DWXSNCHUFXLSDA-UHFFFAOYSA-N 0 1 256.752 3.639 20 0 CHADMN Cc1cc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)cnc1Br ZINC001171309565 1131824849 /nfs/dbraw/zinc/82/48/49/1131824849.db2.gz YUDSEMUIZXLSHU-TUAOUCFPSA-N 0 1 297.240 3.629 20 0 CHADMN c1sc2ccccc2c1CN1CCc2ncccc2C1 ZINC001140638462 1131837702 /nfs/dbraw/zinc/83/77/02/1131837702.db2.gz QJZRUVOVFXHSIZ-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN CC(=O)c1c(O[C@@H]2CCCN(C)C2)ccc2ccccc21 ZINC001228247609 1131838369 /nfs/dbraw/zinc/83/83/69/1131838369.db2.gz GMPYFIWVCZCAMA-OAHLLOKOSA-N 0 1 283.371 3.515 20 0 CHADMN c1sc2ccccc2c1CN1CCc2cccnc2C1 ZINC001140639312 1131838687 /nfs/dbraw/zinc/83/86/87/1131838687.db2.gz SQTOAVCXYRZITL-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN C[C@]1(F)CCN(Cc2cccc3ccncc32)C[C@H]1F ZINC001140640345 1131842070 /nfs/dbraw/zinc/84/20/70/1131842070.db2.gz MCAQPQSBBLBMIL-CVEARBPZSA-N 0 1 276.330 3.507 20 0 CHADMN c1cc2c(s1)C[N@@H+](Cc1cccc3ccncc31)CC2 ZINC001140643934 1131843383 /nfs/dbraw/zinc/84/33/83/1131843383.db2.gz RTHXBGHXPNDWDH-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN CCC[C@@H](CC(C)C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000835480062 1131847167 /nfs/dbraw/zinc/84/71/67/1131847167.db2.gz VKDQFZBQNDVJCW-LBPRGKRZSA-N 0 1 295.427 3.608 20 0 CHADMN CCC[C@@H](CC(C)C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000835480062 1131847173 /nfs/dbraw/zinc/84/71/73/1131847173.db2.gz VKDQFZBQNDVJCW-LBPRGKRZSA-N 0 1 295.427 3.608 20 0 CHADMN CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC001148387661 1131851880 /nfs/dbraw/zinc/85/18/80/1131851880.db2.gz GLJFGYMRNJNRRL-IRXDYDNUSA-N 0 1 294.483 3.584 20 0 CHADMN Cc1nc2ccc(O[C@H](C)c3cc(C)cnc3F)cc2[nH]1 ZINC001228330203 1131858464 /nfs/dbraw/zinc/85/84/64/1131858464.db2.gz WEMSSLOGPPTHGE-SNVBAGLBSA-N 0 1 285.322 3.854 20 0 CHADMN Cc1nc2ccc(O[C@@H](C)Cc3ccccc3)cc2[nH]1 ZINC001228325568 1131859553 /nfs/dbraw/zinc/85/95/53/1131859553.db2.gz BAIJUPRRYXUFIF-LBPRGKRZSA-N 0 1 266.344 3.881 20 0 CHADMN Cc1nc2ccc(OC[C@H](C)OCc3ccccc3)cc2[nH]1 ZINC001228327611 1131860328 /nfs/dbraw/zinc/86/03/28/1131860328.db2.gz SCVYSTBSUYGPNK-ZDUSSCGKSA-N 0 1 296.370 3.855 20 0 CHADMN CCCCC1CCN(Cc2ccc(C(=O)OCC)[nH]2)CC1 ZINC001140686050 1131860648 /nfs/dbraw/zinc/86/06/48/1131860648.db2.gz OJVCQISZGSHQDX-UHFFFAOYSA-N 0 1 292.423 3.594 20 0 CHADMN CCCC[C@@H](CCC)NC(=O)c1cccc2nc(C)[nH]c21 ZINC001148997891 1131877246 /nfs/dbraw/zinc/87/72/46/1131877246.db2.gz SZTQJGBGWISPEZ-CYBMUJFWSA-N 0 1 287.407 3.960 20 0 CHADMN Cc1csc([C@H](C)NCCO[C@@H]2CCCC[C@H]2C)n1 ZINC000348106883 1131881358 /nfs/dbraw/zinc/88/13/58/1131881358.db2.gz HFOXUJWRBMORIP-KWCYVHTRSA-N 0 1 282.453 3.697 20 0 CHADMN CN(C)Cc1c(OC2CCC(=O)CC2)ccc2ccccc21 ZINC001228439774 1131882764 /nfs/dbraw/zinc/88/27/64/1131882764.db2.gz VJAVCDDGHRGUEN-UHFFFAOYSA-N 0 1 297.398 3.792 20 0 CHADMN Cc1cc(C(=O)CN(C)[C@H](C)Cc2ccc(C)cc2)c(C)[nH]1 ZINC000348121859 1131886145 /nfs/dbraw/zinc/88/61/45/1131886145.db2.gz JKRXBXLGYBRSHU-OAHLLOKOSA-N 0 1 298.430 3.686 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OC1CC2(CC2)C1 ZINC000835727124 1131889925 /nfs/dbraw/zinc/88/99/25/1131889925.db2.gz VLISMQVJRKRPEZ-UHFFFAOYSA-N 0 1 296.370 3.793 20 0 CHADMN CCCN(CCOC)Cc1c(Cl)ncc2ccccc21 ZINC001140720654 1131894597 /nfs/dbraw/zinc/89/45/97/1131894597.db2.gz WFUQZYDQMCRWKW-UHFFFAOYSA-N 0 1 292.810 3.747 20 0 CHADMN CC(C)CCC[C@H](C)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228510637 1131900458 /nfs/dbraw/zinc/90/04/58/1131900458.db2.gz WDPFLELKTPCDTA-VIFPVBQESA-N 0 1 282.775 3.600 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Br)ccn2)C[C@@H]1C ZINC001140762292 1131909692 /nfs/dbraw/zinc/90/96/92/1131909692.db2.gz UUNYRXZLLSRYJO-NEPJUHHUSA-N 0 1 297.240 3.712 20 0 CHADMN COc1ccc(CN2CCC(C)(C)C2)c(Br)c1 ZINC001140761385 1131909955 /nfs/dbraw/zinc/90/99/55/1131909955.db2.gz MHKHQKXQCWUSSL-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN Oc1ccc2c(c1)CCN(Cc1coc3ccccc13)C2 ZINC001140783426 1131915935 /nfs/dbraw/zinc/91/59/35/1131915935.db2.gz WDEQTVKSAWBLFG-UHFFFAOYSA-N 0 1 279.339 3.697 20 0 CHADMN C[C@@H]1CCN(Cc2cc(O)cc(Cl)c2)[C@H](C)C1 ZINC001140794577 1131922779 /nfs/dbraw/zinc/92/27/79/1131922779.db2.gz QTPLBGSOBOEQCN-GHMZBOCLSA-N 0 1 253.773 3.666 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c(Cl)c1 ZINC001140797064 1131924580 /nfs/dbraw/zinc/92/45/80/1131924580.db2.gz IXZXHXVXWXCSQF-XJKSGUPXSA-N 0 1 279.811 3.649 20 0 CHADMN Cc1ccc(CN2CC[C@@H]3CCCO[C@@H]3C2)c(Cl)c1 ZINC001140797064 1131924584 /nfs/dbraw/zinc/92/45/84/1131924584.db2.gz IXZXHXVXWXCSQF-XJKSGUPXSA-N 0 1 279.811 3.649 20 0 CHADMN CC[C@@H](Oc1ccc2[nH]nnc2c1)c1ccccc1F ZINC001228662975 1131929607 /nfs/dbraw/zinc/92/96/07/1131929607.db2.gz PJJTXMHHUHQPMX-OAHLLOKOSA-N 0 1 271.295 3.627 20 0 CHADMN CC[C@H](C)Oc1nc2cccc(Br)c2[nH]1 ZINC001228682224 1131933869 /nfs/dbraw/zinc/93/38/69/1131933869.db2.gz SSLJNARHNFMKMV-ZETCQYMHSA-N 0 1 269.142 3.503 20 0 CHADMN CCC(CC)N(CC)Cc1c(F)cc(OC)cc1F ZINC001140827627 1131938352 /nfs/dbraw/zinc/93/83/52/1131938352.db2.gz GDCFTJHAGFTHAK-UHFFFAOYSA-N 0 1 271.351 3.984 20 0 CHADMN Fc1cccc(CN[C@H]2CCc3cc(Cl)ccc32)n1 ZINC000773086472 1131941698 /nfs/dbraw/zinc/94/16/98/1131941698.db2.gz JKWYEXRXAVGCQM-AWEZNQCLSA-N 0 1 276.742 3.651 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@@H]2c2ccc(C)nc2)c1C ZINC001140861718 1131950907 /nfs/dbraw/zinc/95/09/07/1131950907.db2.gz MQWNTFMILIJJOG-QGZVFWFLSA-N 0 1 269.392 3.672 20 0 CHADMN C[C@H]1CCN(Cc2cc(F)c(C(F)(F)F)c(F)c2)C1 ZINC001140879162 1131953752 /nfs/dbraw/zinc/95/37/52/1131953752.db2.gz RSNNZRJBMZGNHS-QMMMGPOBSA-N 0 1 279.252 3.825 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1ccc([O-])c(F)c1F ZINC001140893980 1131958839 /nfs/dbraw/zinc/95/88/39/1131958839.db2.gz MNAHTEIPTKGTCK-GFCCVEGCSA-N 0 1 269.335 3.825 20 0 CHADMN [O-]c1ccc(C[N@H+]2CCC23CCCCC3)c(F)c1F ZINC001140888608 1131959750 /nfs/dbraw/zinc/95/97/50/1131959750.db2.gz SWFIQXUOJWHQOX-UHFFFAOYSA-N 0 1 267.319 3.579 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc([O-])c(F)c2F)CC1 ZINC001140894995 1131959880 /nfs/dbraw/zinc/95/98/80/1131959880.db2.gz JWCGPFUJVUIXOX-UMSPYCQHSA-N 0 1 269.335 3.681 20 0 CHADMN OCC1(NCc2csc(C3CC3)n2)CCCCCCC1 ZINC000713473268 1131962431 /nfs/dbraw/zinc/96/24/31/1131962431.db2.gz RNIFKLAYHZXHCL-UHFFFAOYSA-N 0 1 294.464 3.586 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1cnccc1C(F)(F)F ZINC001140918418 1131964069 /nfs/dbraw/zinc/96/40/69/1131964069.db2.gz PFDQTRFTVKJREX-WDEREUQCSA-N 0 1 272.314 3.721 20 0 CHADMN COc1cccc([C@@H]2CCCCN2Cc2nccnc2C)c1 ZINC001140937758 1131968261 /nfs/dbraw/zinc/96/82/61/1131968261.db2.gz YXFFNCGATGCRBY-SFHVURJKSA-N 0 1 297.402 3.521 20 0 CHADMN CCN1CCC(Oc2nc3ccc(Cl)cc3s2)CC1 ZINC001228926083 1131978011 /nfs/dbraw/zinc/97/80/11/1131978011.db2.gz FZRQDUUFTRTNFH-UHFFFAOYSA-N 0 1 296.823 3.813 20 0 CHADMN Fc1cccc2c1CC[C@@H](NCc1ncc(Cl)s1)C2 ZINC001171409213 1131978148 /nfs/dbraw/zinc/97/81/48/1131978148.db2.gz CPOMPEREDOWSFI-SNVBAGLBSA-N 0 1 296.798 3.583 20 0 CHADMN C[N@H+]1CCc2cc(O[C@@H](c3cccnc3)C3CC3)ccc2C1 ZINC001228944040 1131983299 /nfs/dbraw/zinc/98/32/99/1131983299.db2.gz KGHLXFUPTLCJJL-LJQANCHMSA-N 0 1 294.398 3.600 20 0 CHADMN FC(F)(F)c1ccc([C@H]2CCN(Cc3ncco3)C2)cc1 ZINC001141007598 1131983777 /nfs/dbraw/zinc/98/37/77/1131983777.db2.gz SPVBWVYWIDJXND-LBPRGKRZSA-N 0 1 296.292 3.683 20 0 CHADMN CCCN(Cc1c[nH]nc1C(F)(F)F)Cc1ccccc1 ZINC001141015650 1131984448 /nfs/dbraw/zinc/98/44/48/1131984448.db2.gz WFDDYKYMFDWLSS-UHFFFAOYSA-N 0 1 297.324 3.841 20 0 CHADMN C[C@@H]1C[C@@H](Oc2nnc3c[nH]ccc2-3)CC(C)(C)C1 ZINC001228989830 1131993674 /nfs/dbraw/zinc/99/36/74/1131993674.db2.gz KRCKFTPKJUVEEW-GHMZBOCLSA-N 0 1 259.353 3.552 20 0 CHADMN CCCOc1ccc(CN[C@@H](C)c2ccns2)cc1 ZINC000715929161 1131996591 /nfs/dbraw/zinc/99/65/91/1131996591.db2.gz AMGAPJDHSIMIHY-LBPRGKRZSA-N 0 1 276.405 3.783 20 0 CHADMN CCN(Cc1ocnc1C)Cc1ccc(C)c(C)c1 ZINC001141055060 1131999581 /nfs/dbraw/zinc/99/95/81/1131999581.db2.gz MFUHTVUHFJSMJW-UHFFFAOYSA-N 0 1 258.365 3.622 20 0 CHADMN Cc1ncoc1CN(Cc1ccccc1)C1CCC1 ZINC001141055291 1132000134 /nfs/dbraw/zinc/00/01/34/1132000134.db2.gz YNNVLAHKWSUWLW-UHFFFAOYSA-N 0 1 256.349 3.538 20 0 CHADMN Cc1cc(Cl)ccc1CN[C@H](C)c1ccns1 ZINC000716036077 1132001855 /nfs/dbraw/zinc/00/18/55/1132001855.db2.gz YBFDTKUONKMLTD-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1cc(Cl)cc(CN[C@@H](C)c2ccns2)c1 ZINC000716030707 1132002322 /nfs/dbraw/zinc/00/23/22/1132002322.db2.gz ONMBFNRUFHZUCL-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN CCCCc1nc(CN2CCC(C(C)C)CC2)c[nH]1 ZINC001141071203 1132003363 /nfs/dbraw/zinc/00/33/63/1132003363.db2.gz GGYKCZOFUXIUKJ-UHFFFAOYSA-N 0 1 263.429 3.620 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2ccc(O)cc21)c1ccns1 ZINC000716052788 1132004026 /nfs/dbraw/zinc/00/40/26/1132004026.db2.gz CGYDOPCXUXFWQX-QMTHXVAHSA-N 0 1 274.389 3.577 20 0 CHADMN CCCCc1ncc(CN2CCc3cc(C)ccc3C2)[nH]1 ZINC001141074126 1132006434 /nfs/dbraw/zinc/00/64/34/1132006434.db2.gz YCWKYHIGFBMTOK-UHFFFAOYSA-N 0 1 283.419 3.619 20 0 CHADMN Cc1cccc(CN(C)C2CC(C)C2)c1Br ZINC001141089534 1132010563 /nfs/dbraw/zinc/01/05/63/1132010563.db2.gz WTPVUWDDKBQCLV-UHFFFAOYSA-N 0 1 282.225 3.988 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H]2CCC3(CCC3)CO2)c(C)s1 ZINC000716533712 1132026370 /nfs/dbraw/zinc/02/63/70/1132026370.db2.gz SJJAZSKICIBQIS-FZMZJTMJSA-N 0 1 294.464 3.760 20 0 CHADMN C[C@H](Cc1ccco1)NCc1csc(-c2ccccn2)n1 ZINC000037291940 1132027479 /nfs/dbraw/zinc/02/74/79/1132027479.db2.gz OHWYYRNAXCRJMX-GFCCVEGCSA-N 0 1 299.399 3.519 20 0 CHADMN CCC(=O)Nc1ccc2nc(Cc3ccc(F)cc3)[nH]c2c1 ZINC001141149378 1132028257 /nfs/dbraw/zinc/02/82/57/1132028257.db2.gz IDFXDXHOLQREBZ-UHFFFAOYSA-N 0 1 297.333 3.641 20 0 CHADMN CN(C)/C=C/c1ccncc1NCC1(c2ccccc2)CC1 ZINC001171464736 1132035786 /nfs/dbraw/zinc/03/57/86/1132035786.db2.gz DCZNFUYRCNDIJM-UKTHLTGXSA-N 0 1 293.414 3.758 20 0 CHADMN Cc1ccc(C)c(NCC2(c3ccccc3)CC2)n1 ZINC001171461475 1132036970 /nfs/dbraw/zinc/03/69/70/1132036970.db2.gz LGPFBCJJRCHGTJ-UHFFFAOYSA-N 0 1 252.361 3.842 20 0 CHADMN C[C@]1(F)CCCN([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171476652 1132042914 /nfs/dbraw/zinc/04/29/14/1132042914.db2.gz NEUGDDGBSIQFNP-CJNGLKHVSA-N 0 1 283.337 3.646 20 0 CHADMN COc1cccc(CN2CCC3(CC(F)(F)C3)CC2)c1F ZINC001141220017 1132045905 /nfs/dbraw/zinc/04/59/05/1132045905.db2.gz HIEFORTXUWKYJI-UHFFFAOYSA-N 0 1 299.336 3.846 20 0 CHADMN Cc1cc(Cl)ccc1CN(C)Cc1cnc2ccccn12 ZINC001141230408 1132051767 /nfs/dbraw/zinc/05/17/67/1132051767.db2.gz VKSPVUBBWDYILF-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN CN(Cc1cccc(-n2ccnc2)c1)Cc1ccccc1F ZINC001141241106 1132055874 /nfs/dbraw/zinc/05/58/74/1132055874.db2.gz CWALPJFERIDUPB-UHFFFAOYSA-N 0 1 295.361 3.643 20 0 CHADMN C/C=C/[C@@H](Oc1nc(C)nc2[nH]cnc21)C1CCCCC1 ZINC001229438850 1132066833 /nfs/dbraw/zinc/06/68/33/1132066833.db2.gz XVCNWRDEHFVACH-LPZVBRGNSA-N 0 1 286.379 3.565 20 0 CHADMN COc1ccsc1C[N@@H+](C)CC/C=C/c1cccnc1 ZINC001141329361 1132088384 /nfs/dbraw/zinc/08/83/84/1132088384.db2.gz SNCJAAPBYRHPNU-ZZXKWVIFSA-N 0 1 288.416 3.687 20 0 CHADMN O=C(OCC1CCC(F)(F)CC1)c1cccc2[nH]ncc21 ZINC000837678894 1132093269 /nfs/dbraw/zinc/09/32/69/1132093269.db2.gz ROBJPRQVNOQQPJ-UHFFFAOYSA-N 0 1 294.301 3.545 20 0 CHADMN C[C@@H]1CN(CCO[C@H]2CCCC[C@@H]2C)CC2(CCCC2)O1 ZINC001171735932 1132098439 /nfs/dbraw/zinc/09/84/39/1132098439.db2.gz ZCOFXLCNKARPQM-BBWFWOEESA-N 0 1 295.467 3.615 20 0 CHADMN Fc1cccc2c1C[C@H](N1CCC[C@@H]1c1nccs1)C2 ZINC001171806981 1132104568 /nfs/dbraw/zinc/10/45/68/1132104568.db2.gz MUMVDXPISFHBBE-IUODEOHRSA-N 0 1 288.391 3.587 20 0 CHADMN Cc1ncc(Br)cc1CN1CCC[C@@H](C)[C@@H]1C ZINC001248781009 1132105574 /nfs/dbraw/zinc/10/55/74/1132105574.db2.gz RULVDRDKQDUPLG-PWSUYJOCSA-N 0 1 297.240 3.773 20 0 CHADMN CN(Cc1cccc(-c2ccsc2)c1)C1(C)COC1 ZINC001141384235 1132108855 /nfs/dbraw/zinc/10/88/55/1132108855.db2.gz IUOPKPJUKVIHPI-UHFFFAOYSA-N 0 1 273.401 3.636 20 0 CHADMN Fc1cc(CN2CCC23CCCCC3)c2c(c1)COCO2 ZINC001141390069 1132111922 /nfs/dbraw/zinc/11/19/22/1132111922.db2.gz DTDJWNVLPPRTQY-UHFFFAOYSA-N 0 1 291.366 3.601 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C[C@@H]2CC=CCC2)c1 ZINC001141416498 1132118845 /nfs/dbraw/zinc/11/88/45/1132118845.db2.gz JMEGHSUTTCHZAZ-GFCCVEGCSA-N 0 1 287.359 3.670 20 0 CHADMN C[C@H](Oc1ccc(F)cc1CN(C)C)C1CCCC1 ZINC001229857975 1132125221 /nfs/dbraw/zinc/12/52/21/1132125221.db2.gz CSTKQNNOXLLKTD-LBPRGKRZSA-N 0 1 265.372 3.845 20 0 CHADMN CN(C)Cc1cc(F)ccc1O[C@H]1CCCC[C@@H]1F ZINC001229858273 1132125489 /nfs/dbraw/zinc/12/54/89/1132125489.db2.gz KJTJYMWFXRWLMI-ZFWWWQNUSA-N 0 1 269.335 3.547 20 0 CHADMN CC(C)(C)N1CC(Oc2ccc(O)cc2-c2ccccc2)C1 ZINC001229971386 1132139266 /nfs/dbraw/zinc/13/92/66/1132139266.db2.gz BGSZTFTXZYCYPD-UHFFFAOYSA-N 0 1 297.398 3.921 20 0 CHADMN O=c1[nH]cnc(O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1Cl ZINC001230018115 1132145606 /nfs/dbraw/zinc/14/56/06/1132145606.db2.gz NEYOCECBOSJRRZ-GMTAPVOTSA-N 0 1 282.771 3.573 20 0 CHADMN CCOc1cc(CNCc2c(C)cccc2F)ccc1O ZINC000838969009 1132162763 /nfs/dbraw/zinc/16/27/63/1132162763.db2.gz SZVRWAUALBDZIZ-UHFFFAOYSA-N 0 1 289.350 3.528 20 0 CHADMN Cc1cnc(F)c([C@@H](C)Oc2cc3cn[nH]c3cc2C)c1 ZINC001230225595 1132163373 /nfs/dbraw/zinc/16/33/73/1132163373.db2.gz VUPMIDGLSIRAGT-LLVKDONJSA-N 0 1 285.322 3.854 20 0 CHADMN Cc1ccc2sc(OC3CCN(C4CC4)CC3)nc2c1 ZINC001230348501 1132176116 /nfs/dbraw/zinc/17/61/16/1132176116.db2.gz LPLVTVUQHYHFED-UHFFFAOYSA-N 0 1 288.416 3.610 20 0 CHADMN Cc1cc(CN2CC(C(C)(C)C)C2)cnc1Cl ZINC000839145183 1132183987 /nfs/dbraw/zinc/18/39/87/1132183987.db2.gz NCJRSTBGCSGUKJ-UHFFFAOYSA-N 0 1 252.789 3.521 20 0 CHADMN CC(C)c1cnc(CN[C@@H](C)CCCc2cccnc2)o1 ZINC000839146824 1132184080 /nfs/dbraw/zinc/18/40/80/1132184080.db2.gz WLENVVCFFOXDNF-AWEZNQCLSA-N 0 1 287.407 3.694 20 0 CHADMN CC(C)[C@H]1CN(Cc2c[nH]c3cc(Cl)ccc23)CCO1 ZINC001141590903 1132194444 /nfs/dbraw/zinc/19/44/44/1132194444.db2.gz LERHGYMJNWTDEB-MRXNPFEDSA-N 0 1 292.810 3.678 20 0 CHADMN CCCCCCNC(=O)CN1CCC[C@H]1c1ccccc1 ZINC000839271538 1132195069 /nfs/dbraw/zinc/19/50/69/1132195069.db2.gz OZVXZCDORHURBS-KRWDZBQOSA-N 0 1 288.435 3.520 20 0 CHADMN CCC[C@@H](C(=O)c1ccccc1)N(C)[C@@H](C)CCOCC ZINC001172428166 1132204534 /nfs/dbraw/zinc/20/45/34/1132204534.db2.gz YRYAAFWVJFAMSS-RDJZCZTQSA-N 0 1 291.435 3.785 20 0 CHADMN CC[C@@](C)(NCCOc1ccccc1C)c1nccs1 ZINC000839520147 1132220304 /nfs/dbraw/zinc/22/03/04/1132220304.db2.gz LTMJROZIXPICHE-MRXNPFEDSA-N 0 1 290.432 3.745 20 0 CHADMN FC(F)(F)[C@H]1CCN(C/C=C/c2ccccc2)C1 ZINC000839533727 1132222005 /nfs/dbraw/zinc/22/20/05/1132222005.db2.gz LTWPXSGNKCGHLG-LVDDQXARSA-N 0 1 255.283 3.584 20 0 CHADMN CC[C@H](NCCOc1ccccc1C)c1nc(C)cs1 ZINC000839551178 1132223073 /nfs/dbraw/zinc/22/30/73/1132223073.db2.gz SMGQKROHCDSNHZ-AWEZNQCLSA-N 0 1 290.432 3.880 20 0 CHADMN CC(C)COCC[C@H](C)N(C)Cc1cnc(Cl)s1 ZINC001172474478 1132225493 /nfs/dbraw/zinc/22/54/93/1132225493.db2.gz RBVJJSZJMJMBAZ-NSHDSACASA-N 0 1 290.860 3.680 20 0 CHADMN CC(C)COCC[C@@H](C)N1CCc2cc(F)c(F)cc2C1 ZINC001172477588 1132228089 /nfs/dbraw/zinc/22/80/89/1132228089.db2.gz BNNQWDVPPQLWJV-CYBMUJFWSA-N 0 1 297.389 3.774 20 0 CHADMN Cc1nonc1CN(C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000839649783 1132228948 /nfs/dbraw/zinc/22/89/48/1132228948.db2.gz HWEIJMIIMBSMDE-WBVHZDCISA-N 0 1 285.391 3.536 20 0 CHADMN C[C@H](Oc1cc2[nH]ncc2c(F)c1)c1cccnc1Cl ZINC001230931159 1132230603 /nfs/dbraw/zinc/23/06/03/1132230603.db2.gz LJKPXQRXCXWCFZ-QMMMGPOBSA-N 0 1 291.713 3.890 20 0 CHADMN CC(C)OCC[C@@H](C)N(C)Cc1nc2ccccc2s1 ZINC001172444006 1132236298 /nfs/dbraw/zinc/23/62/98/1132236298.db2.gz QXZKIGLIIZBGPQ-CYBMUJFWSA-N 0 1 292.448 3.932 20 0 CHADMN CC(C)OCC[C@@H](C)N1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001172455763 1132238895 /nfs/dbraw/zinc/23/88/95/1132238895.db2.gz AVDMYHXWMSOBSB-SOLBZPMBSA-N 0 1 291.435 3.652 20 0 CHADMN CCCN(CN1C(=O)C2(CCC2)[C@H]1c1ccccc1)C1CC1 ZINC000839990807 1132244467 /nfs/dbraw/zinc/24/44/67/1132244467.db2.gz JXMSAMXFTYZHCU-QGZVFWFLSA-N 0 1 298.430 3.572 20 0 CHADMN Cc1cc([C@@H]2CCCN2[C@H](C)CCOCC(C)C)no1 ZINC001172466275 1132244670 /nfs/dbraw/zinc/24/46/70/1132244670.db2.gz HNZGRFBEOCGYEI-CJNGLKHVSA-N 0 1 280.412 3.571 20 0 CHADMN Cc1cc(Cl)cc(C(=O)Nc2ccc(F)c(F)c2O)c1 ZINC001141879780 1132260365 /nfs/dbraw/zinc/26/03/65/1132260365.db2.gz IIUDUGTYFSBVEG-UHFFFAOYSA-N 0 1 297.688 3.885 20 0 CHADMN Cn1ncc2c1CCN([C@@H]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001172549971 1132261941 /nfs/dbraw/zinc/26/19/41/1132261941.db2.gz RYNMFEHYVCPUIZ-SJLPKXTDSA-N 0 1 295.430 3.505 20 0 CHADMN Cc1nc[nH]c1-c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC001212668947 1132264987 /nfs/dbraw/zinc/26/49/87/1132264987.db2.gz YNKHAXMCAQKVQX-UHFFFAOYSA-N 0 1 295.129 3.742 20 0 CHADMN C[C@@H](N[C@@H]1CC[C@@H](c2ccccc2)C1)c1ncc(F)cn1 ZINC001172561751 1132268325 /nfs/dbraw/zinc/26/83/25/1132268325.db2.gz YVUHHYIVJQAFOI-XNRPHZJLSA-N 0 1 285.366 3.603 20 0 CHADMN C[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc2c1OCO2 ZINC001141948036 1132270792 /nfs/dbraw/zinc/27/07/92/1132270792.db2.gz KGUFRLPEJWFZEC-ZDUSSCGKSA-N 0 1 281.355 3.535 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1cccc2c1OCO2 ZINC001141948036 1132270796 /nfs/dbraw/zinc/27/07/96/1132270796.db2.gz KGUFRLPEJWFZEC-ZDUSSCGKSA-N 0 1 281.355 3.535 20 0 CHADMN Fc1ccccc1[C@H]1CCCN1Cc1cccc2c1OCO2 ZINC001141956720 1132272290 /nfs/dbraw/zinc/27/22/90/1132272290.db2.gz YANKRKXGESOOJW-MRXNPFEDSA-N 0 1 299.345 3.892 20 0 CHADMN CCc1ccc(CN(C)Cc2cccc3c2OCO3)cc1 ZINC001141958421 1132272809 /nfs/dbraw/zinc/27/28/09/1132272809.db2.gz DFHBQNSWPOBMID-UHFFFAOYSA-N 0 1 283.371 3.610 20 0 CHADMN Cc1nc(C)c(CN2CCCC[C@H]2c2cccnc2)s1 ZINC001206171269 1132285652 /nfs/dbraw/zinc/28/56/52/1132285652.db2.gz CIAWIFZBSOOMPH-HNNXBMFYSA-N 0 1 287.432 3.882 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(F)cc2C)nc1C ZINC000840784183 1132286937 /nfs/dbraw/zinc/28/69/37/1132286937.db2.gz MZESEILJGJRNQZ-CQSZACIVSA-N 0 1 272.367 3.997 20 0 CHADMN COCCN(C)Cc1sccc1Oc1ccccc1 ZINC001141994417 1132288952 /nfs/dbraw/zinc/28/89/52/1132288952.db2.gz LEHGYGOOKVNZJR-UHFFFAOYSA-N 0 1 277.389 3.619 20 0 CHADMN Cc1n[nH]cc1-c1nc(-c2ccc(C(C)C)cc2)no1 ZINC001212677614 1132293184 /nfs/dbraw/zinc/29/31/84/1132293184.db2.gz HTRMCPHDLDCCQK-UHFFFAOYSA-N 0 1 268.320 3.559 20 0 CHADMN CCCCNC(=S)Nc1ccc(C)cc1SC ZINC000840855400 1132294155 /nfs/dbraw/zinc/29/41/55/1132294155.db2.gz BUFZKPBLLXUQDL-UHFFFAOYSA-N 0 1 268.451 3.803 20 0 CHADMN Fc1ccc2c(c1)CN([C@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172722163 1132295185 /nfs/dbraw/zinc/29/51/85/1132295185.db2.gz PLHCHSZTLXYKPL-KRWDZBQOSA-N 0 1 287.765 3.962 20 0 CHADMN CCCCCC[C@H](C)NCc1nccc(C(F)(F)F)n1 ZINC000840867459 1132296975 /nfs/dbraw/zinc/29/69/75/1132296975.db2.gz OWBWZSIUVUZZIR-NSHDSACASA-N 0 1 289.345 3.944 20 0 CHADMN CCCCC[C@@H](C)NCc1nccc(C(F)(F)F)n1 ZINC000840866178 1132297153 /nfs/dbraw/zinc/29/71/53/1132297153.db2.gz GQAZJVYAMGKSMU-SNVBAGLBSA-N 0 1 275.318 3.554 20 0 CHADMN Cc1cc(C)c(CN2CCc3ncccc3C2)cc1C ZINC001231484674 1132301542 /nfs/dbraw/zinc/30/15/42/1132301542.db2.gz UGFLLIXKJNEZMN-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN Cc1nc2c(s1)CN(Cc1cc(C)c(C)cc1C)CC2 ZINC001231484171 1132301977 /nfs/dbraw/zinc/30/19/77/1132301977.db2.gz HMYNDLUTPNKXHM-UHFFFAOYSA-N 0 1 286.444 3.935 20 0 CHADMN Cc1cc(Cl)cc(CNc2nccn2C2CC2)c1 ZINC000840887313 1132304051 /nfs/dbraw/zinc/30/40/51/1132304051.db2.gz WRCWPYRIPMOSSS-UHFFFAOYSA-N 0 1 261.756 3.792 20 0 CHADMN Fc1cc2cc(CN3CCCC3)c(Cl)nc2cc1F ZINC001142035365 1132304977 /nfs/dbraw/zinc/30/49/77/1132304977.db2.gz PRASPXJXUBMMRD-UHFFFAOYSA-N 0 1 282.721 3.762 20 0 CHADMN CC1(C)CN(Cc2cccc(-c3ccccc3)c2)CCO1 ZINC001231508424 1132308238 /nfs/dbraw/zinc/30/82/38/1132308238.db2.gz MLJHDEAGXYVCHT-UHFFFAOYSA-N 0 1 281.399 3.964 20 0 CHADMN C[C@@]1(O)CCN(Cc2cccc(-c3ccccc3)c2)C[C@@H]1F ZINC001231509186 1132311384 /nfs/dbraw/zinc/31/13/84/1132311384.db2.gz UVYAWQVYRVXNBE-RBUKOAKNSA-N 0 1 299.389 3.648 20 0 CHADMN CN(Cc1ccc(O)c(C(F)(F)F)c1)C1CC(F)(F)C1 ZINC001231524324 1132312432 /nfs/dbraw/zinc/31/24/32/1132312432.db2.gz NIVJAWNNDQKHEH-UHFFFAOYSA-N 0 1 295.251 3.641 20 0 CHADMN Fc1ccccc1CN1CCC[C@H](OCC2CCC2)C1 ZINC001206175840 1132313127 /nfs/dbraw/zinc/31/31/27/1132313127.db2.gz DTRYPUREVHMCGY-INIZCTEOSA-N 0 1 277.383 3.607 20 0 CHADMN CC(C)OC(=O)CC[C@@H](C)N(C)Cc1ccc(F)cc1F ZINC001172773801 1132314046 /nfs/dbraw/zinc/31/40/46/1132314046.db2.gz RMDOTNVGLQSVCO-GFCCVEGCSA-N 0 1 299.361 3.517 20 0 CHADMN O=C([O-])[C@H]1CCC[N@H+]1[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000840996236 1132316894 /nfs/dbraw/zinc/31/68/94/1132316894.db2.gz HBLYSJHVDQNPPU-AEGPPILISA-N 0 1 293.794 3.525 20 0 CHADMN O=C([O-])[C@H]1CCC[N@H+]1[C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000840995981 1132319080 /nfs/dbraw/zinc/31/90/80/1132319080.db2.gz BESBNVHJRSWWGS-IXDOHACOSA-N 0 1 287.403 3.652 20 0 CHADMN COc1cc(F)ccc1CN1C2CCCC1CCC2 ZINC001231607657 1132326531 /nfs/dbraw/zinc/32/65/31/1132326531.db2.gz DVRSMSOSFBQNLU-UHFFFAOYSA-N 0 1 263.356 3.741 20 0 CHADMN Cc1nc(CN[C@H](C)Cc2c(F)cccc2Cl)c(C)o1 ZINC001172837568 1132328568 /nfs/dbraw/zinc/32/85/68/1132328568.db2.gz OAKNXLRRVWZOSL-SECBINFHSA-N 0 1 296.773 3.805 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@@](C)(F)CC2)c(Cl)n1 ZINC001142122277 1132330133 /nfs/dbraw/zinc/33/01/33/1132330133.db2.gz TVHGAJHFQGVSIL-CQSZACIVSA-N 0 1 270.779 3.758 20 0 CHADMN Cc1ccc(CN2CCC[C@@](C)(F)CC2)c(Cl)n1 ZINC001142122277 1132330138 /nfs/dbraw/zinc/33/01/38/1132330138.db2.gz TVHGAJHFQGVSIL-CQSZACIVSA-N 0 1 270.779 3.758 20 0 CHADMN CN(Cc1coc(-c2ccccc2)n1)C[C@@H]1CC1(C)C ZINC001231632042 1132330466 /nfs/dbraw/zinc/33/04/66/1132330466.db2.gz UOZLKCYAPPPGNU-AWEZNQCLSA-N 0 1 270.376 3.820 20 0 CHADMN Cc1ccc(CN2CC[C@@H](CO)[C@H]2C)c(Cl)c1Cl ZINC001231660308 1132338132 /nfs/dbraw/zinc/33/81/32/1132338132.db2.gz GZMVTACEMYHFLM-PWSUYJOCSA-N 0 1 288.218 3.505 20 0 CHADMN CCO[C@@H]1CCCN([C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172852593 1132340423 /nfs/dbraw/zinc/34/04/23/1132340423.db2.gz HBWQIGDLJFBTRB-QWHCGFSZSA-N 0 1 299.817 3.911 20 0 CHADMN c1cc2cc(CN3CCCC[C@H]3c3cccnc3)ncc2[nH]1 ZINC001231667603 1132340975 /nfs/dbraw/zinc/34/09/75/1132340975.db2.gz ASRJGMYDULRORW-SFHVURJKSA-N 0 1 292.386 3.685 20 0 CHADMN CCCN(CC)Cc1c(Cl)cc(OC)cc1OC ZINC001231693103 1132344383 /nfs/dbraw/zinc/34/43/83/1132344383.db2.gz AYVWUYHHQNVSES-UHFFFAOYSA-N 0 1 271.788 3.589 20 0 CHADMN COc1cc(Cl)c(CN(C)CC(C)(C)C)c(OC)c1 ZINC001231697068 1132346356 /nfs/dbraw/zinc/34/63/56/1132346356.db2.gz OBISADQBBFTFII-UHFFFAOYSA-N 0 1 285.815 3.835 20 0 CHADMN Cc1cccc(C[N@@H+](C)Cc2ccc(Cl)c([O-])c2)c1 ZINC001231733126 1132349140 /nfs/dbraw/zinc/34/91/40/1132349140.db2.gz NKYPOPLXRCFFKF-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN Cc1cccc(C[N@H+](C)Cc2ccc(Cl)c([O-])c2)c1 ZINC001231733126 1132349149 /nfs/dbraw/zinc/34/91/49/1132349149.db2.gz NKYPOPLXRCFFKF-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN COc1ncc(F)cc1CN1CC[C@@H](C2CCCCC2)C1 ZINC001231746335 1132353772 /nfs/dbraw/zinc/35/37/72/1132353772.db2.gz DEFNSGMVHYXIGR-CQSZACIVSA-N 0 1 292.398 3.632 20 0 CHADMN CC(C)Sc1nc2sccn2c1C[N@@H+](C)CC1CC1 ZINC001231773000 1132357983 /nfs/dbraw/zinc/35/79/83/1132357983.db2.gz BVWWZHREYOEKPB-UHFFFAOYSA-N 0 1 295.477 3.738 20 0 CHADMN CC(C)Sc1nc2sccn2c1CN(C)CC1CC1 ZINC001231773000 1132357990 /nfs/dbraw/zinc/35/79/90/1132357990.db2.gz BVWWZHREYOEKPB-UHFFFAOYSA-N 0 1 295.477 3.738 20 0 CHADMN CCCCc1ccc(CN2CC3(CSC3)C2)cc1 ZINC001231784038 1132359801 /nfs/dbraw/zinc/35/98/01/1132359801.db2.gz NRJWGSPBHYPTCU-UHFFFAOYSA-N 0 1 261.434 3.578 20 0 CHADMN CN(C(=O)[C@H]1CCN1C(C)(C)C)c1cccc2ccccc21 ZINC001142294384 1132361948 /nfs/dbraw/zinc/36/19/48/1132361948.db2.gz CBANGKPMXLULFA-QGZVFWFLSA-N 0 1 296.414 3.675 20 0 CHADMN CC(C)(C)Oc1ccc(CN2CC(c3cccnc3)C2)cc1 ZINC001231805631 1132367991 /nfs/dbraw/zinc/36/79/91/1132367991.db2.gz QKGIKRORWVRXGJ-UHFFFAOYSA-N 0 1 296.414 3.858 20 0 CHADMN Cc1ccccc1-c1ccccc1CN1CCOC[C@H]1C ZINC001231811798 1132370194 /nfs/dbraw/zinc/37/01/94/1132370194.db2.gz DKWHFPUVJQLEFQ-MRXNPFEDSA-N 0 1 281.399 3.883 20 0 CHADMN CC(=O)CN(C)Cc1ccccc1-c1ccc(F)cc1 ZINC001231823155 1132373089 /nfs/dbraw/zinc/37/30/89/1132373089.db2.gz YTWREAYWPBANAI-UHFFFAOYSA-N 0 1 271.335 3.514 20 0 CHADMN CCCc1ccc(CN2CCc3c(O)cccc3C2)cc1 ZINC001142354810 1132373308 /nfs/dbraw/zinc/37/33/08/1132373308.db2.gz YZRHSVWZDSZWPE-UHFFFAOYSA-N 0 1 281.399 3.903 20 0 CHADMN CCCN(C)Cc1ccc(C(F)(F)F)c(F)c1F ZINC001231854431 1132379747 /nfs/dbraw/zinc/37/97/47/1132379747.db2.gz AMBVKYWYRHVPEU-UHFFFAOYSA-N 0 1 267.241 3.825 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(C(F)(F)F)c(F)c2F)C1 ZINC001231856281 1132380992 /nfs/dbraw/zinc/38/09/92/1132380992.db2.gz MAKCWXGPTIKXEN-MRVPVSSYSA-N 0 1 279.252 3.825 20 0 CHADMN CCN(Cc1ccc(C(F)(F)F)c(F)c1F)C1CC1 ZINC001231856948 1132381631 /nfs/dbraw/zinc/38/16/31/1132381631.db2.gz RROVXQNSEYANER-UHFFFAOYSA-N 0 1 279.252 3.968 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)/C(F)=C/C1CCCCC1 ZINC001142428306 1132385876 /nfs/dbraw/zinc/38/58/76/1132385876.db2.gz KJBUGQFNHSNYLR-JYRVWZFOSA-N 0 1 287.338 3.935 20 0 CHADMN CC(C)c1ccccc1CN1CCC(=O)[C@H](C)CC1 ZINC001231874639 1132388423 /nfs/dbraw/zinc/38/84/23/1132388423.db2.gz UZBKPAGVSFHKQS-CQSZACIVSA-N 0 1 259.393 3.611 20 0 CHADMN CCC(CC)N(C)Cc1ncc(Br)cc1F ZINC001231989421 1132407442 /nfs/dbraw/zinc/40/74/42/1132407442.db2.gz JIHYJZYWLCYAAP-UHFFFAOYSA-N 0 1 289.192 3.604 20 0 CHADMN FC(F)c1cc(CN2C3CCCC2CCC3)ccn1 ZINC001231891320 1132393547 /nfs/dbraw/zinc/39/35/47/1132393547.db2.gz FSWSFDUXYUNKBE-UHFFFAOYSA-N 0 1 266.335 3.926 20 0 CHADMN CC(C)C[N@@H+](C)Cc1cnc(C(F)(F)F)cc1Cl ZINC001231898606 1132397894 /nfs/dbraw/zinc/39/78/94/1132397894.db2.gz UPIFCUFKELHTPM-UHFFFAOYSA-N 0 1 280.721 3.842 20 0 CHADMN CC(C)CN(C)Cc1cnc(C(F)(F)F)cc1Cl ZINC001231898606 1132397901 /nfs/dbraw/zinc/39/79/01/1132397901.db2.gz UPIFCUFKELHTPM-UHFFFAOYSA-N 0 1 280.721 3.842 20 0 CHADMN Cc1cc(CN(C)C/C=C/c2ccccc2)cnc1F ZINC001231926105 1132402027 /nfs/dbraw/zinc/40/20/27/1132402027.db2.gz JNYJZXOXLBIYIC-RMKNXTFCSA-N 0 1 270.351 3.674 20 0 CHADMN FC(F)(F)c1cccnc1CN1CC[C@H]2CCC[C@H]2C1 ZINC001231962363 1132403064 /nfs/dbraw/zinc/40/30/64/1132403064.db2.gz DDNJQXWMLMVTRY-NEPJUHHUSA-N 0 1 284.325 3.722 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cnc(F)cc1C ZINC001231984315 1132405871 /nfs/dbraw/zinc/40/58/71/1132405871.db2.gz VOUITAVNBJWSJY-UHFFFAOYSA-N 0 1 276.330 3.690 20 0 CHADMN Cc1cc(F)ncc1CN(C)C/C=C/c1ccccc1 ZINC001231984026 1132406021 /nfs/dbraw/zinc/40/60/21/1132406021.db2.gz KIPMFFNETNTOBI-RMKNXTFCSA-N 0 1 270.351 3.674 20 0 CHADMN CCCCN(CCC)Cc1cc(Cl)cnc1F ZINC001231993941 1132406542 /nfs/dbraw/zinc/40/65/42/1132406542.db2.gz ZPJAHWFPEYDUHE-UHFFFAOYSA-N 0 1 258.768 3.886 20 0 CHADMN CCC[C@@H](C(=O)c1ccccc1)N(C)[C@@H]1CCO[C@@H](C)C1 ZINC001173174400 1132407762 /nfs/dbraw/zinc/40/77/62/1132407762.db2.gz MZTYRGZZRLGHPW-UAGQMJEPSA-N 0 1 289.419 3.537 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2cc(C)nc(C)c2)cc1 ZINC001232000541 1132407912 /nfs/dbraw/zinc/40/79/12/1132407912.db2.gz OCCBBNKSPIHZQT-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001232002637 1132408351 /nfs/dbraw/zinc/40/83/51/1132408351.db2.gz XIOUJRSLKKCHGH-UBHSHLNASA-N 0 1 287.300 3.804 20 0 CHADMN COC1CN([C@H](C)CC(c2ccccc2)c2ccccc2)C1 ZINC001173216435 1132411269 /nfs/dbraw/zinc/41/12/69/1132411269.db2.gz YBSVDLNFLDXSCP-MRXNPFEDSA-N 0 1 295.426 3.928 20 0 CHADMN COC1CN([C@@H](C)CC(c2ccccc2)c2ccccc2)C1 ZINC001173216432 1132411525 /nfs/dbraw/zinc/41/15/25/1132411525.db2.gz YBSVDLNFLDXSCP-INIZCTEOSA-N 0 1 295.426 3.928 20 0 CHADMN C=Cc1ccc(Nc2cccc(N3CCN(C)CC3)c2)cc1 ZINC001212713930 1132411821 /nfs/dbraw/zinc/41/18/21/1132411821.db2.gz UWXLUOJZRHUUEU-UHFFFAOYSA-N 0 1 293.414 3.825 20 0 CHADMN C[C@@H]1CCCCCN1Cc1c(Cl)n(C)nc1C(F)F ZINC001232053743 1132414210 /nfs/dbraw/zinc/41/42/10/1132414210.db2.gz GFMXRKVATIMICH-SECBINFHSA-N 0 1 291.773 3.776 20 0 CHADMN Cc1cc(Br)cnc1C[N@@H+]1CCC[C@@H](C)CC1 ZINC001232047076 1132414868 /nfs/dbraw/zinc/41/48/68/1132414868.db2.gz LPZLJQPXVRMPHE-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN Cc1cc(Br)cnc1CN1CCC[C@@H](C)CC1 ZINC001232047076 1132414872 /nfs/dbraw/zinc/41/48/72/1132414872.db2.gz LPZLJQPXVRMPHE-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN Cc1ccc(CN(C)C/C=C/c2ccccc2)c(C)n1 ZINC001232085318 1132420422 /nfs/dbraw/zinc/42/04/22/1132420422.db2.gz QRAITSCFLSBZPG-JXMROGBWSA-N 0 1 266.388 3.844 20 0 CHADMN CC[C@@H]1CCCN1Cc1ncc(C)cc1Br ZINC001232176268 1132431770 /nfs/dbraw/zinc/43/17/70/1132431770.db2.gz OYIYHUGZGOETOK-LLVKDONJSA-N 0 1 283.213 3.527 20 0 CHADMN CCCC[C@@H](CC(C)C)NCc1ncc(Cl)cn1 ZINC001173251086 1132421065 /nfs/dbraw/zinc/42/10/65/1132421065.db2.gz YWHHULCYDBDEKR-ZDUSSCGKSA-N 0 1 269.820 3.825 20 0 CHADMN c1c2ccncc2[nH]c1CN1CCC[C@H]2CCCC[C@H]21 ZINC001232093584 1132422133 /nfs/dbraw/zinc/42/21/33/1132422133.db2.gz FAFLPAWAGQIGRY-CXAGYDPISA-N 0 1 269.392 3.718 20 0 CHADMN C[C@@H]1CCN1Cc1ccc2cc(Br)ccc2n1 ZINC001232102280 1132424653 /nfs/dbraw/zinc/42/46/53/1132424653.db2.gz RXSNVKAYTDMKNV-SNVBAGLBSA-N 0 1 291.192 3.592 20 0 CHADMN c1nc(-c2cccnc2)oc1CN1CC2(C1)CCCCC2 ZINC001232136698 1132427185 /nfs/dbraw/zinc/42/71/85/1132427185.db2.gz WKBYWTKQCWBAPC-UHFFFAOYSA-N 0 1 283.375 3.503 20 0 CHADMN Cc1cnc(CN2CCC[C@@H]2C(C)C)c(Br)c1 ZINC001232179875 1132431758 /nfs/dbraw/zinc/43/17/58/1132431758.db2.gz WAIHBGLHISQQAG-CQSZACIVSA-N 0 1 297.240 3.773 20 0 CHADMN CC[C@H]1CC[C@@H](NC2(c3ccc(Cl)cc3)COC2)C1 ZINC001173265673 1132431914 /nfs/dbraw/zinc/43/19/14/1132431914.db2.gz IGADCUDZRCSYKG-SWLSCSKDSA-N 0 1 279.811 3.734 20 0 CHADMN Cc1cnc(CN(C)C2CCCCC2)c(Br)c1 ZINC001232173588 1132432498 /nfs/dbraw/zinc/43/24/98/1132432498.db2.gz JPFAESAMSRSWKQ-UHFFFAOYSA-N 0 1 297.240 3.917 20 0 CHADMN Clc1ccccc1[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001232192223 1132433143 /nfs/dbraw/zinc/43/31/43/1132433143.db2.gz YDGVFWXRRKXXQV-LLVKDONJSA-N 0 1 278.808 3.786 20 0 CHADMN Clc1ccccc1[C@@H]1CCN(Cc2ccns2)C1 ZINC001232192223 1132433148 /nfs/dbraw/zinc/43/31/48/1132433148.db2.gz YDGVFWXRRKXXQV-LLVKDONJSA-N 0 1 278.808 3.786 20 0 CHADMN Cc1scnc1CN1CCC(c2ccc(F)cc2)CC1 ZINC001232204163 1132435853 /nfs/dbraw/zinc/43/58/53/1132435853.db2.gz UKNUUHDUFUGLDA-UHFFFAOYSA-N 0 1 290.407 3.970 20 0 CHADMN Cc1scnc1CN1CCC[C@H]1c1ccccc1 ZINC001232204252 1132435885 /nfs/dbraw/zinc/43/58/85/1132435885.db2.gz YDWPJUNNDKOKQD-HNNXBMFYSA-N 0 1 258.390 3.789 20 0 CHADMN CN(CCOc1ccccc1)Cc1ccnc(C(C)(C)C)c1 ZINC001232216009 1132436965 /nfs/dbraw/zinc/43/69/65/1132436965.db2.gz NAOOZVVHKRUJKL-UHFFFAOYSA-N 0 1 298.430 3.890 20 0 CHADMN c1nscc1CN1CCC(c2ccccc2)CC1 ZINC001232226580 1132438917 /nfs/dbraw/zinc/43/89/17/1132438917.db2.gz VJQDOZFWWVTSTA-UHFFFAOYSA-N 0 1 258.390 3.523 20 0 CHADMN CCc1coc(CN[C@H](C)Cc2ccc(CC)cc2)n1 ZINC001173239217 1132439834 /nfs/dbraw/zinc/43/98/34/1132439834.db2.gz OCMSDVJJMYRRIG-CYBMUJFWSA-N 0 1 272.392 3.520 20 0 CHADMN CN(Cc1cccn1Cc1ccccc1)C1CC(F)(F)C1 ZINC001232232018 1132440392 /nfs/dbraw/zinc/44/03/92/1132440392.db2.gz IYEAOSIPJDVBME-UHFFFAOYSA-N 0 1 290.357 3.766 20 0 CHADMN CC(C)CCCCCc1nc(C2(N)CCCC2)no1 ZINC000842590173 1132444394 /nfs/dbraw/zinc/44/43/94/1132444394.db2.gz ZQJOUWMJOWZNLW-UHFFFAOYSA-N 0 1 265.401 3.557 20 0 CHADMN Clc1cc(CN2CC[C@H](COCC3CC3)C2)cs1 ZINC001142776127 1132445548 /nfs/dbraw/zinc/44/55/48/1132445548.db2.gz UVLTVTNQZOOILG-LBPRGKRZSA-N 0 1 285.840 3.650 20 0 CHADMN c1ccc([C@@H]2CCC[C@@H]2c2nc([C@H]3CCCN3)no2)cc1 ZINC000842636923 1132446163 /nfs/dbraw/zinc/44/61/63/1132446163.db2.gz OESNDPCQFRXTPE-SOUVJXGZSA-N 0 1 283.375 3.545 20 0 CHADMN CN(Cc1csc(Cl)c1)C[C@@H]1Cc2ccccc2O1 ZINC001142780003 1132446432 /nfs/dbraw/zinc/44/64/32/1132446432.db2.gz BOKZYRSWNUYNAC-ZDUSSCGKSA-N 0 1 293.819 3.837 20 0 CHADMN Cc1cccc2c1CN(Cc1ccc(O)c3ncccc13)C2 ZINC001232271843 1132447340 /nfs/dbraw/zinc/44/73/40/1132447340.db2.gz GAAXNSUFATUQHY-UHFFFAOYSA-N 0 1 290.366 3.765 20 0 CHADMN CC(C)c1ccc2cc(-c3nc([C@@H]4CCCN4)no3)[nH]c2c1 ZINC000842641681 1132447439 /nfs/dbraw/zinc/44/74/39/1132447439.db2.gz DSNOVLLFAVDWDQ-ZDUSSCGKSA-N 0 1 296.374 3.766 20 0 CHADMN CCOc1ncc(CN2CCC[C@H]2c2ccncc2)cc1C ZINC001232306207 1132451417 /nfs/dbraw/zinc/45/14/17/1132451417.db2.gz RBJFKZFNNWBZOU-KRWDZBQOSA-N 0 1 297.402 3.521 20 0 CHADMN CCSC[C@H](C)N1CCc2cccc(Cl)c2C1 ZINC001173313405 1132452447 /nfs/dbraw/zinc/45/24/47/1132452447.db2.gz BTVZYYBFFAJNDM-NSHDSACASA-N 0 1 269.841 3.840 20 0 CHADMN CSc1ccc(CN2CCC[C@@H](c3ccccn3)C2)cn1 ZINC001232329525 1132455510 /nfs/dbraw/zinc/45/55/10/1132455510.db2.gz ZOLCLTBMGAOKAK-OAHLLOKOSA-N 0 1 299.443 3.578 20 0 CHADMN COc1cc(CN2CCC[C@H](C)[C@H]2C)c(OC)cc1Cl ZINC001232372225 1132459759 /nfs/dbraw/zinc/45/97/59/1132459759.db2.gz LVUKKEVMKRAUAJ-NWDGAFQWSA-N 0 1 297.826 3.978 20 0 CHADMN COc1cc(CN2CCCCCC2)c(OC)cc1Cl ZINC001232370974 1132460520 /nfs/dbraw/zinc/46/05/20/1132460520.db2.gz YHUHIMBNQDWWMC-UHFFFAOYSA-N 0 1 283.799 3.733 20 0 CHADMN COc1ccc(OC(C)C)c(CN2CCC(CF)CC2)c1 ZINC001232388358 1132464742 /nfs/dbraw/zinc/46/47/42/1132464742.db2.gz CJUMJDCABCDTLO-UHFFFAOYSA-N 0 1 295.398 3.664 20 0 CHADMN CC(C)N(Cc1cn2cc(F)ccc2n1)Cc1ccccc1 ZINC001232409315 1132468202 /nfs/dbraw/zinc/46/82/02/1132468202.db2.gz IBCYFEQLUQJOLN-UHFFFAOYSA-N 0 1 297.377 3.884 20 0 CHADMN O=C1N[C@@H](N[C@@H]2CCCC3(CCCCC3)C2)c2ccccc21 ZINC001173342203 1132468386 /nfs/dbraw/zinc/46/83/86/1132468386.db2.gz WVGDKFZLSUPFOF-RHSMWYFYSA-N 0 1 298.430 3.911 20 0 CHADMN C[C@@H]1CN(Cc2c[nH]c3nccc(Cl)c23)CCC1(F)F ZINC001232456050 1132473803 /nfs/dbraw/zinc/47/38/03/1132473803.db2.gz MBJAJEDZEKWWRY-SECBINFHSA-N 0 1 299.752 3.693 20 0 CHADMN Clc1ccnc2[nH]cc(CN3CC4(C3)CCCC4)c21 ZINC001232456103 1132473870 /nfs/dbraw/zinc/47/38/70/1132473870.db2.gz NWAMSEZMNPJVDU-UHFFFAOYSA-N 0 1 275.783 3.592 20 0 CHADMN Cc1cc([C@@H](C)NC2(c3cccc(F)c3)CCC2)n(C)n1 ZINC000842900129 1132475162 /nfs/dbraw/zinc/47/51/62/1132475162.db2.gz FOEUPTPOHMHLHY-CYBMUJFWSA-N 0 1 287.382 3.598 20 0 CHADMN CCc1csc(CN2CCCC3(CCCC3)C2)n1 ZINC001232471306 1132475295 /nfs/dbraw/zinc/47/52/95/1132475295.db2.gz DJXGKLMQOGTQNI-UHFFFAOYSA-N 0 1 264.438 3.862 20 0 CHADMN Cn1ncc2c1CN([C@@H]1CCCC3(CCCCC3)C1)CC2 ZINC001173351255 1132475540 /nfs/dbraw/zinc/47/55/40/1132475540.db2.gz YUFUDWIXYSLRPQ-MRXNPFEDSA-N 0 1 287.451 3.671 20 0 CHADMN CCc1csc(CN(C)CCc2cccc(C)c2)n1 ZINC001232476307 1132476288 /nfs/dbraw/zinc/47/62/88/1132476288.db2.gz XDSVGDLGVYGZFH-UHFFFAOYSA-N 0 1 274.433 3.688 20 0 CHADMN CC1(C)CCN(Cc2cccc(Br)c2N)CC1 ZINC001232525797 1132483628 /nfs/dbraw/zinc/48/36/28/1132483628.db2.gz UXIZJNLAENMHBD-UHFFFAOYSA-N 0 1 297.240 3.653 20 0 CHADMN FCc1cccc(CN2CCC[C@H]2c2cccs2)n1 ZINC001232536897 1132483668 /nfs/dbraw/zinc/48/36/68/1132483668.db2.gz TTXQRPXMLBLMNT-AWEZNQCLSA-N 0 1 276.380 3.950 20 0 CHADMN Cc1ccccc1CN(C)Cc1cc2ccoc2cn1 ZINC001232551036 1132484908 /nfs/dbraw/zinc/48/49/08/1132484908.db2.gz LZQOJNTTXOTPKQ-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN Cc1cccc2c1CC[N@H+](C1Cc3cc(F)c(F)cc3C1)C2 ZINC001173481785 1132485575 /nfs/dbraw/zinc/48/55/75/1132485575.db2.gz WZQCLUFQEUOYEX-UHFFFAOYSA-N 0 1 299.364 3.799 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cccc(CF)n2)cc1 ZINC001232539569 1132485853 /nfs/dbraw/zinc/48/58/53/1132485853.db2.gz NYQTVORQHAPARZ-CYBMUJFWSA-N 0 1 288.366 3.753 20 0 CHADMN COC(=O)CCCC[C@@H](C)N1Cc2ccc(Cl)cc2C1 ZINC001173459247 1132488817 /nfs/dbraw/zinc/48/88/17/1132488817.db2.gz BUABLUPUELGFRA-GFCCVEGCSA-N 0 1 295.810 3.778 20 0 CHADMN c1ccc(COc2ccnc(CN3CCC[C@H]4C[C@H]43)c2)cc1 ZINC001232590419 1132492321 /nfs/dbraw/zinc/49/23/21/1132492321.db2.gz WEWBPAUFCBBLBY-QFBILLFUSA-N 0 1 294.398 3.645 20 0 CHADMN CCOC(=O)c1ccc(CN2CCCC[C@@H]2C)c(Cl)c1 ZINC001232591858 1132492357 /nfs/dbraw/zinc/49/23/57/1132492357.db2.gz AGFGBSXJCYMBIT-LBPRGKRZSA-N 0 1 295.810 3.891 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H](C)CCC(C)(C)C)n1 ZINC000843153978 1132498009 /nfs/dbraw/zinc/49/80/09/1132498009.db2.gz WOJGYUBRKOREEQ-QWRGUYRKSA-N 0 1 253.390 3.655 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2[nH]c3ccccc3c2Cl)n1 ZINC000843148037 1132498098 /nfs/dbraw/zinc/49/80/98/1132498098.db2.gz KZAKGBKOACSRPX-NSHDSACASA-N 0 1 290.754 3.527 20 0 CHADMN [O-]c1c(Cl)ccc(C[N@@H+]2CCC[C@@H](CF)C2)c1Cl ZINC001232631216 1132498059 /nfs/dbraw/zinc/49/80/59/1132498059.db2.gz MKNNXPWQOMIXMD-VIFPVBQESA-N 0 1 292.181 3.881 20 0 CHADMN [O-]c1c(Cl)ccc(C[N@H+]2CCC[C@@H](CF)C2)c1Cl ZINC001232631216 1132498062 /nfs/dbraw/zinc/49/80/62/1132498062.db2.gz MKNNXPWQOMIXMD-VIFPVBQESA-N 0 1 292.181 3.881 20 0 CHADMN CCCCC[C@@H](CC)c1nc([C@H](N)C(C)C)no1 ZINC000843151411 1132498343 /nfs/dbraw/zinc/49/83/43/1132498343.db2.gz ZFCMDJBCNMGORE-VXGBXAGGSA-N 0 1 253.390 3.799 20 0 CHADMN C[C@H]1CC[N@H+](Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232626542 1132498370 /nfs/dbraw/zinc/49/83/70/1132498370.db2.gz ZMAYBDVSWASIDS-QMMMGPOBSA-N 0 1 260.164 3.541 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232626542 1132498375 /nfs/dbraw/zinc/49/83/75/1132498375.db2.gz ZMAYBDVSWASIDS-QMMMGPOBSA-N 0 1 260.164 3.541 20 0 CHADMN CCCCC[C@H](CC)c1nc([C@H](N)C(C)C)no1 ZINC000843151407 1132498422 /nfs/dbraw/zinc/49/84/22/1132498422.db2.gz ZFCMDJBCNMGORE-NWDGAFQWSA-N 0 1 253.390 3.799 20 0 CHADMN Cc1c2cc(F)ccc2oc1-c1nc([C@H](N)C(C)C)no1 ZINC000843147770 1132499012 /nfs/dbraw/zinc/49/90/12/1132499012.db2.gz FBNLKBUDIGANQW-GFCCVEGCSA-N 0 1 289.310 3.586 20 0 CHADMN c1nc2c(s1)CN(Cc1cccc3c1CCCC3)CC2 ZINC001232638147 1132499481 /nfs/dbraw/zinc/49/94/81/1132499481.db2.gz FRSZNZKCFGWBKK-UHFFFAOYSA-N 0 1 284.428 3.580 20 0 CHADMN CN(Cc1cccc2n[nH]cc21)Cc1ccccc1Cl ZINC001143091344 1132500127 /nfs/dbraw/zinc/50/01/27/1132500127.db2.gz GUQXPFWUANMBIW-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN C[C@@]1(F)CCCN(Cc2occc2Br)CC1 ZINC001143116251 1132503648 /nfs/dbraw/zinc/50/36/48/1132503648.db2.gz BRFAVPUHJFUXFC-GFCCVEGCSA-N 0 1 290.176 3.756 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1occc1Br ZINC001143117003 1132503832 /nfs/dbraw/zinc/50/38/32/1132503832.db2.gz OWSAEDLELNPQFD-AOOOYVTPSA-N 0 1 272.186 3.805 20 0 CHADMN Brc1ccoc1CN1CC2CCC(CC2)C1 ZINC001143127551 1132504332 /nfs/dbraw/zinc/50/43/32/1132504332.db2.gz AOHVYCPCMZTSDA-UHFFFAOYSA-N 0 1 284.197 3.664 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(-c2c[nH]c3ccccc23)no1 ZINC000843218127 1132504754 /nfs/dbraw/zinc/50/47/54/1132504754.db2.gz YXVHVIJMSSBRFO-AWEZNQCLSA-N 0 1 298.390 3.915 20 0 CHADMN CCOc1cc(CN2CCc3c(C)cccc3C2)ccc1O ZINC001204127618 1132504753 /nfs/dbraw/zinc/50/47/53/1132504753.db2.gz ILJRLXDMWIEMKU-UHFFFAOYSA-N 0 1 297.398 3.658 20 0 CHADMN CCCN[C@H](C)c1nc(-c2ccc(C(C)(F)F)cc2)no1 ZINC000843234886 1132505296 /nfs/dbraw/zinc/50/52/96/1132505296.db2.gz WUVHUFWTUJTFKV-SNVBAGLBSA-N 0 1 295.333 3.909 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(-c2cc(C)oc2C)no1 ZINC000843225039 1132506232 /nfs/dbraw/zinc/50/62/32/1132506232.db2.gz WGPVVCFWUJYHPN-LBPRGKRZSA-N 0 1 277.368 3.643 20 0 CHADMN Cc1ccccc1CN(C)Cc1ccc(Br)[nH]1 ZINC001232689228 1132506451 /nfs/dbraw/zinc/50/64/51/1132506451.db2.gz JPNBCNZOWZQKHB-UHFFFAOYSA-N 0 1 293.208 3.718 20 0 CHADMN CCCN[C@H](C)c1nc(C(C)(C)Cc2ccccc2)no1 ZINC000843224617 1132506687 /nfs/dbraw/zinc/50/66/87/1132506687.db2.gz OYWJIVXPHBLFGB-CYBMUJFWSA-N 0 1 287.407 3.651 20 0 CHADMN CCCN[C@H](C)c1nc(-c2cccc(C(C)(F)F)c2)no1 ZINC000843240765 1132507558 /nfs/dbraw/zinc/50/75/58/1132507558.db2.gz UQJXGJIKUXZAGM-SNVBAGLBSA-N 0 1 295.333 3.909 20 0 CHADMN COc1cc(C)cc(CN2Cc3cccc(C)c3C2)c1 ZINC001143149800 1132508615 /nfs/dbraw/zinc/50/86/15/1132508615.db2.gz HPNJYLFEIAOJCL-UHFFFAOYSA-N 0 1 267.372 3.828 20 0 CHADMN Cc1cc(CN2CC[C@@H](c3ccccn3)C2)c(F)cc1F ZINC001232781883 1132517486 /nfs/dbraw/zinc/51/74/86/1132517486.db2.gz BNVWPAMBAJUYBP-CYBMUJFWSA-N 0 1 288.341 3.658 20 0 CHADMN Nc1cccc(CN2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000843358763 1132522307 /nfs/dbraw/zinc/52/23/07/1132522307.db2.gz ZCKAPKZGXLPIQJ-KRWDZBQOSA-N 0 1 288.341 3.884 20 0 CHADMN COc1cc(O)cc(CN(C)Cc2ccc(C)c(C)c2)c1 ZINC001232809578 1132523198 /nfs/dbraw/zinc/52/31/98/1132523198.db2.gz SFNTXCWHBADRQF-UHFFFAOYSA-N 0 1 285.387 3.650 20 0 CHADMN COc1cc(CN(C)Cc2ccccc2C)c(OC)cc1C ZINC001232832078 1132526193 /nfs/dbraw/zinc/52/61/93/1132526193.db2.gz FKPMZGUOPBOLKZ-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN CCOc1ccc(CN2C[C@H](C)C[C@H](C)C2)c(F)c1F ZINC001143278355 1132528040 /nfs/dbraw/zinc/52/80/40/1132528040.db2.gz FUNHUVFTDOHRQQ-TXEJJXNPSA-N 0 1 283.362 3.841 20 0 CHADMN CN(Cc1cncc(-c2ccccc2)c1)C[C@@H]1CCCCO1 ZINC001232900574 1132539467 /nfs/dbraw/zinc/53/94/67/1132539467.db2.gz DIRAGJASRXAAII-IBGZPJMESA-N 0 1 296.414 3.750 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2cncc(-c3ccccc3)c2)C1 ZINC001232899365 1132539854 /nfs/dbraw/zinc/53/98/54/1132539854.db2.gz OHDJKUJPHZVYEE-KSSFIOAISA-N 0 1 284.378 3.929 20 0 CHADMN [O-]c1c(F)ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1F ZINC001232935577 1132543573 /nfs/dbraw/zinc/54/35/73/1132543573.db2.gz UHIHTUVNMYBZGA-FZMZJTMJSA-N 0 1 281.346 3.825 20 0 CHADMN [O-]c1c(F)ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1F ZINC001232938619 1132546024 /nfs/dbraw/zinc/54/60/24/1132546024.db2.gz BVZZEPXKSHFCGD-VXGBXAGGSA-N 0 1 281.346 3.683 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H](C)c3ccccc3C)cc2[nH]1 ZINC001150106590 1132551390 /nfs/dbraw/zinc/55/13/90/1132551390.db2.gz NHEPNYPRSADLMG-LBPRGKRZSA-N 0 1 293.370 3.922 20 0 CHADMN CCc1ccc(CN(C)Cc2cc(F)cnc2C)cc1 ZINC001232991351 1132557436 /nfs/dbraw/zinc/55/74/36/1132557436.db2.gz YRVYSYVYPYPBJA-UHFFFAOYSA-N 0 1 272.367 3.724 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1ccc(C2CC2)cc1 ZINC001232986849 1132558214 /nfs/dbraw/zinc/55/82/14/1132558214.db2.gz XOICJQLRDOBNDY-QGZVFWFLSA-N 0 1 257.377 3.508 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCCC[C@@H](C)C1 ZINC001233017964 1132562516 /nfs/dbraw/zinc/56/25/16/1132562516.db2.gz NIDXLNXYVFWYEC-GFCCVEGCSA-N 0 1 281.421 3.547 20 0 CHADMN CCCN(CCC)Cc1sccc1C(=O)OCC ZINC001233017038 1132562936 /nfs/dbraw/zinc/56/29/36/1132562936.db2.gz CIYDLPZXOACZAU-UHFFFAOYSA-N 0 1 269.410 3.547 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001233020576 1132565160 /nfs/dbraw/zinc/56/51/60/1132565160.db2.gz NLDMEADUTWFBEQ-JSGCOSHPSA-N 0 1 293.432 3.689 20 0 CHADMN C[C@@H]1CN(Cc2cc(Cl)ncc2O)Cc2ccccc21 ZINC001233032437 1132565663 /nfs/dbraw/zinc/56/56/63/1132565663.db2.gz KUKMEVPVWPKIDT-LLVKDONJSA-N 0 1 288.778 3.560 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCCC3(CCCC3)C2)c1F ZINC001233051048 1132566567 /nfs/dbraw/zinc/56/65/67/1132566567.db2.gz ZHKBGACGIVPKLT-UHFFFAOYSA-N 0 1 263.356 3.688 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCCC3(CCCC3)C2)c1F ZINC001233051048 1132566570 /nfs/dbraw/zinc/56/65/70/1132566570.db2.gz ZHKBGACGIVPKLT-UHFFFAOYSA-N 0 1 263.356 3.688 20 0 CHADMN C[C@H](CN(C)C(=O)c1cccc2n[nH]cc21)C1CCCCC1 ZINC001151148566 1132567314 /nfs/dbraw/zinc/56/73/14/1132567314.db2.gz UBHDZXVBDITRBS-CYBMUJFWSA-N 0 1 299.418 3.851 20 0 CHADMN Oc1cccc(CN2CCC[C@H]2c2ccccc2)c1F ZINC001233052121 1132567743 /nfs/dbraw/zinc/56/77/43/1132567743.db2.gz GIXVHFAMXLAQBE-HNNXBMFYSA-N 0 1 271.335 3.868 20 0 CHADMN Oc1cccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1F ZINC001233057418 1132569498 /nfs/dbraw/zinc/56/94/98/1132569498.db2.gz LWBANIABVOKBAV-CYBMUJFWSA-N 0 1 289.325 3.660 20 0 CHADMN Cc1cc(CN2Cc3ccccc3C(C)(C)C2)cnc1C ZINC001233160995 1132573611 /nfs/dbraw/zinc/57/36/11/1132573611.db2.gz NXYFCQMRHUJQDH-UHFFFAOYSA-N 0 1 280.415 3.992 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CCC[C@@H]1CC ZINC001233172626 1132576070 /nfs/dbraw/zinc/57/60/70/1132576070.db2.gz ZUTOPKFUTOAYIM-ZDUSSCGKSA-N 0 1 268.788 3.508 20 0 CHADMN C=Cc1ccc(NC(=O)c2nc3cccc(C)c3[nH]2)cc1 ZINC001151989559 1132576887 /nfs/dbraw/zinc/57/68/87/1132576887.db2.gz OXOPKXXWDQHJEX-UHFFFAOYSA-N 0 1 277.327 3.767 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CCCC[C@H](C)C1 ZINC001233169096 1132577093 /nfs/dbraw/zinc/57/70/93/1132577093.db2.gz JYIFBWLHAIWIHL-LBPRGKRZSA-N 0 1 282.815 3.756 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CC[C@H]2CCC[C@H]2C1 ZINC001233168523 1132577561 /nfs/dbraw/zinc/57/75/61/1132577561.db2.gz ZBGUJFKLWKQEFI-OLZOCXBDSA-N 0 1 294.826 3.756 20 0 CHADMN COCCN(Cc1csc(C(F)(F)F)c1)C(C)C ZINC001233176835 1132578885 /nfs/dbraw/zinc/57/88/85/1132578885.db2.gz XEACZSFTCPTJCJ-UHFFFAOYSA-N 0 1 281.343 3.624 20 0 CHADMN COCC[N@@H+](C)Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001233208275 1132580267 /nfs/dbraw/zinc/58/02/67/1132580267.db2.gz XYLSCOYXAIFLRW-UHFFFAOYSA-N 0 1 289.350 3.696 20 0 CHADMN CC=CC(=O)N[C@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001152400820 1132581584 /nfs/dbraw/zinc/58/15/84/1132581584.db2.gz IEDHKWFCUYPGCK-AUEWMVCUSA-N 0 1 297.402 3.877 20 0 CHADMN Cc1c(Br)ccc(CN2CCCC2)c1C ZINC001233218908 1132583418 /nfs/dbraw/zinc/58/34/18/1132583418.db2.gz JETJEEGILUNASF-UHFFFAOYSA-N 0 1 268.198 3.662 20 0 CHADMN Cc1csc(CN2CCC3(CC[C@H](F)C3)CC2)n1 ZINC001204378754 1132583831 /nfs/dbraw/zinc/58/38/31/1132583831.db2.gz DOWYTVIGZVAUOP-LBPRGKRZSA-N 0 1 268.401 3.556 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(Cl)cc2)cc1O ZINC001233233920 1132586740 /nfs/dbraw/zinc/58/67/40/1132586740.db2.gz VPDKTXQEBPISHV-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN FC1(F)CCC[N@@H+](Cc2ccc([S-])cc2)CC1 ZINC001233258632 1132590197 /nfs/dbraw/zinc/59/01/97/1132590197.db2.gz MVTVYBSWKWVARO-UHFFFAOYSA-N 0 1 257.349 3.597 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cccc(F)c1 ZINC001173835872 1132590441 /nfs/dbraw/zinc/59/04/41/1132590441.db2.gz ZMTFLIOTORWSLC-UHFFFAOYSA-N 0 1 259.259 3.665 20 0 CHADMN Cc1cc(C[N@H+](C)[C@@H](C)c2cccs2)cc(C)n1 ZINC001204381282 1132590651 /nfs/dbraw/zinc/59/06/51/1132590651.db2.gz BOTMMUZWIYRWHO-ZDUSSCGKSA-N 0 1 260.406 3.953 20 0 CHADMN COc1cccc(C[N@@H+](C)Cc2ccc([S-])cc2)c1 ZINC001233260419 1132591004 /nfs/dbraw/zinc/59/10/04/1132591004.db2.gz CWGAYPBRGQYCAC-UHFFFAOYSA-N 0 1 273.401 3.616 20 0 CHADMN CC[C@H](C)C[C@H](C)NC(=O)c1cnc2[nH]ccc(Cl)c1-2 ZINC001153106008 1132591207 /nfs/dbraw/zinc/59/12/07/1132591207.db2.gz MQLWSQAIKNDIQO-UWVGGRQHSA-N 0 1 293.798 3.771 20 0 CHADMN COc1c(O)cccc1CN(Cc1ccccc1)C1CCC1 ZINC001233257788 1132591643 /nfs/dbraw/zinc/59/16/43/1132591643.db2.gz BKVOILDKTLDBOP-UHFFFAOYSA-N 0 1 297.398 3.956 20 0 CHADMN Cc1cnsc1CN1CCc2ccccc2[C@@H]1C ZINC001233318079 1132599255 /nfs/dbraw/zinc/59/92/55/1132599255.db2.gz PBFDCZVMRJGJAJ-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN Cc1cnsc1CN1CCC[C@H]1c1cccs1 ZINC001233320871 1132599378 /nfs/dbraw/zinc/59/93/78/1132599378.db2.gz QQLJGXKHKMCNSL-NSHDSACASA-N 0 1 264.419 3.850 20 0 CHADMN Cc1cc(CCC(=O)N2CCC[C@@H](C)c3ccccc32)n[nH]1 ZINC001153859684 1132601610 /nfs/dbraw/zinc/60/16/10/1132601610.db2.gz VYGLDSUOKNVKDF-CYBMUJFWSA-N 0 1 297.402 3.581 20 0 CHADMN COc1cc(F)c(CN2CCCC[C@@H](C)C2)cc1F ZINC001233340916 1132604392 /nfs/dbraw/zinc/60/43/92/1132604392.db2.gz VWJXXTYUMLAVQT-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN COc1cc(F)c(CN2CCC[C@@H]3CCC[C@H]32)cc1F ZINC001233344114 1132606084 /nfs/dbraw/zinc/60/60/84/1132606084.db2.gz OJYAIYYJGIUNOZ-XHDPSFHLSA-N 0 1 281.346 3.738 20 0 CHADMN FC1(F)CC2(CN(Cc3cc4cccnc4s3)C2)C1 ZINC001233345336 1132606244 /nfs/dbraw/zinc/60/62/44/1132606244.db2.gz PYLSRMFNTWUOJZ-UHFFFAOYSA-N 0 1 280.343 3.527 20 0 CHADMN COc1cc(F)c(CN2CC[C@H]3CCCC[C@@H]3C2)cc1F ZINC001233344625 1132606435 /nfs/dbraw/zinc/60/64/35/1132606435.db2.gz LNGNOSQUKGGGGQ-CHWSQXEVSA-N 0 1 295.373 3.986 20 0 CHADMN C[C@H]1CCCCC[N@H+]1Cc1cnc2cccc(Cl)n12 ZINC001233358425 1132609543 /nfs/dbraw/zinc/60/95/43/1132609543.db2.gz GTQOAPMEOWMFNO-LBPRGKRZSA-N 0 1 277.799 3.752 20 0 CHADMN C[C@H]1CCCCCN1Cc1cnc2cccc(Cl)n12 ZINC001233358425 1132609546 /nfs/dbraw/zinc/60/95/46/1132609546.db2.gz GTQOAPMEOWMFNO-LBPRGKRZSA-N 0 1 277.799 3.752 20 0 CHADMN CSc1cccc(Cl)c1CN1CC2CC(C2)C1 ZINC001233353514 1132609828 /nfs/dbraw/zinc/60/98/28/1132609828.db2.gz YZKRUTWAQZCEII-UHFFFAOYSA-N 0 1 267.825 3.904 20 0 CHADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cnc2cccc(Cl)n12 ZINC001233358414 1132609873 /nfs/dbraw/zinc/60/98/73/1132609873.db2.gz GMKHONPNNDMWKX-NWDGAFQWSA-N 0 1 277.799 3.608 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1cnc2cccc(Cl)n12 ZINC001233358414 1132609875 /nfs/dbraw/zinc/60/98/75/1132609875.db2.gz GMKHONPNNDMWKX-NWDGAFQWSA-N 0 1 277.799 3.608 20 0 CHADMN Cc1ccc(C[N@@H+](C)Cc2cnc3cccc(Cl)n23)cc1 ZINC001233358663 1132610064 /nfs/dbraw/zinc/61/00/64/1132610064.db2.gz PLIFLBDJVJMUES-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc3cccc(Cl)n23)cc1 ZINC001233358663 1132610069 /nfs/dbraw/zinc/61/00/69/1132610069.db2.gz PLIFLBDJVJMUES-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cnc3cccc(Cl)n23)[C@H]1C ZINC001233358415 1132610542 /nfs/dbraw/zinc/61/05/42/1132610542.db2.gz GMKHONPNNDMWKX-RYUDHWBXSA-N 0 1 277.799 3.608 20 0 CHADMN C[C@H]1CCCN(Cc2cnc3cccc(Cl)n23)[C@H]1C ZINC001233358415 1132610546 /nfs/dbraw/zinc/61/05/46/1132610546.db2.gz GMKHONPNNDMWKX-RYUDHWBXSA-N 0 1 277.799 3.608 20 0 CHADMN Cc1ncc(CN2CCC(c3nc4ccccc4o3)CC2)o1 ZINC001233364764 1132612066 /nfs/dbraw/zinc/61/20/66/1132612066.db2.gz ARXKCDQSPMUXEM-UHFFFAOYSA-N 0 1 297.358 3.504 20 0 CHADMN Nc1cccc(CN2CCC[C@@H]2c2ccccc2Cl)n1 ZINC001233371538 1132612155 /nfs/dbraw/zinc/61/21/55/1132612155.db2.gz VRTNRXMAAPISKD-OAHLLOKOSA-N 0 1 287.794 3.654 20 0 CHADMN COc1ccc(CN2CC[C@@H]3CCC[C@@H]3C2)c(Cl)c1O ZINC001233398467 1132615667 /nfs/dbraw/zinc/61/56/67/1132615667.db2.gz MTVMNGYGCWIACJ-NWDGAFQWSA-N 0 1 295.810 3.676 20 0 CHADMN CC1(C)CCN(Cc2cn3ccc(Cl)cc3n2)CC1 ZINC001233390703 1132616006 /nfs/dbraw/zinc/61/60/06/1132616006.db2.gz GRXYSNXAGHMCJC-UHFFFAOYSA-N 0 1 277.799 3.610 20 0 CHADMN CC[C@H](C)NC(=O)c1cccc2nc(-c3ccccc3)[nH]c21 ZINC001154489863 1132616624 /nfs/dbraw/zinc/61/66/24/1132616624.db2.gz MDALXXVLZWSJAF-LBPRGKRZSA-N 0 1 293.370 3.758 20 0 CHADMN CC[C@@H]1CCCN(Cc2cn3ccc(Cl)cc3n2)C1 ZINC001233392210 1132616735 /nfs/dbraw/zinc/61/67/35/1132616735.db2.gz OZCVIZNTZRVVFP-GFCCVEGCSA-N 0 1 277.799 3.610 20 0 CHADMN COc1ccc(CN2CCC(C(C)C)CC2)c(Cl)c1O ZINC001233401037 1132619447 /nfs/dbraw/zinc/61/94/47/1132619447.db2.gz JQPAIHIYCQNCOT-UHFFFAOYSA-N 0 1 297.826 3.922 20 0 CHADMN Clc1cccn2cc(CN3CCC[C@@H]4CCC[C@@H]43)nc12 ZINC001233423102 1132620903 /nfs/dbraw/zinc/62/09/03/1132620903.db2.gz HQKRJVWWBRYPSM-WFASDCNBSA-N 0 1 289.810 3.752 20 0 CHADMN Cc1cnc(N[C@H](c2ccccc2)C2CC2)c(N)c1 ZINC001154645432 1132621275 /nfs/dbraw/zinc/62/12/75/1132621275.db2.gz NTDPYMQKDNZWRL-OAHLLOKOSA-N 0 1 253.349 3.535 20 0 CHADMN Cc1cc(Br)cc(C)c1Nc1ccncc1 ZINC001173882818 1132623249 /nfs/dbraw/zinc/62/32/49/1132623249.db2.gz VQAOAIBBJVABDM-UHFFFAOYSA-N 0 1 277.165 3.626 20 0 CHADMN c1c(C2CCC2)nn(-c2ccccc2)c1Nc1ccncc1 ZINC001173881872 1132623872 /nfs/dbraw/zinc/62/38/72/1132623872.db2.gz FCPGFRTVBZLWHN-UHFFFAOYSA-N 0 1 290.370 3.700 20 0 CHADMN Nc1cccc(Oc2cccc(Nc3ccncc3)c2)c1 ZINC001173884020 1132624599 /nfs/dbraw/zinc/62/45/99/1132624599.db2.gz CHBAIFVBEZARFK-UHFFFAOYSA-N 0 1 277.327 3.622 20 0 CHADMN Cc1cccc(NC(=O)OC(C)(C)C)c1Nc1ccncc1 ZINC001173884788 1132625472 /nfs/dbraw/zinc/62/54/72/1132625472.db2.gz RDLLBSXYDBWATI-UHFFFAOYSA-N 0 1 299.374 3.903 20 0 CHADMN Clc1cccc(Nc2ccncc2)c1Br ZINC001173883603 1132625819 /nfs/dbraw/zinc/62/58/19/1132625819.db2.gz NVPUMWFIBHMWKS-UHFFFAOYSA-N 0 1 283.556 3.663 20 0 CHADMN Fc1cccc(OC2CCCC2)c1Nc1ccncc1 ZINC001173884134 1132625914 /nfs/dbraw/zinc/62/59/14/1132625914.db2.gz JHWJCVOJKGUHNE-UHFFFAOYSA-N 0 1 272.323 3.708 20 0 CHADMN COC(=O)c1cc(NC2=CCCC2)c(Cl)s1 ZINC001173997158 1132669571 /nfs/dbraw/zinc/66/95/71/1132669571.db2.gz SAIBNSVWVIXYIA-UHFFFAOYSA-N 0 1 257.742 3.668 20 0 CHADMN CC[C@H](Oc1n[nH]c(=O)cc1Cl)c1cccc(F)c1C ZINC001233587172 1132642377 /nfs/dbraw/zinc/64/23/77/1132642377.db2.gz NUBAKLBXSBDKHN-LBPRGKRZSA-N 0 1 296.729 3.813 20 0 CHADMN CC(=O)c1cc(Nc2ccccc2CN(C)C)ccc1F ZINC001173931012 1132644456 /nfs/dbraw/zinc/64/44/56/1132644456.db2.gz CSZCOHVVIJHBLZ-UHFFFAOYSA-N 0 1 286.350 3.834 20 0 CHADMN CC(C)(C)N1CC(Oc2ccc3ccsc3c2)C1 ZINC001233603347 1132647395 /nfs/dbraw/zinc/64/73/95/1132647395.db2.gz IXDPMZDZGAXPHZ-UHFFFAOYSA-N 0 1 261.390 3.763 20 0 CHADMN COc1cccc(CCNc2nccc3cccc(C)c32)n1 ZINC001155241651 1132650830 /nfs/dbraw/zinc/65/08/30/1132650830.db2.gz BUMUDGOUBOZZBI-UHFFFAOYSA-N 0 1 293.370 3.601 20 0 CHADMN Cc1ccc(N2Cc3ccccc3C(C)(C)C2)nc1C ZINC001155468614 1132659488 /nfs/dbraw/zinc/65/94/88/1132659488.db2.gz AKORCNXVPLMXCJ-UHFFFAOYSA-N 0 1 266.388 3.996 20 0 CHADMN COC(=O)c1nc2ccccc2cc1NC1=CCCC1 ZINC001173998346 1132669854 /nfs/dbraw/zinc/66/98/54/1132669854.db2.gz CAHYSCMABLDING-UHFFFAOYSA-N 0 1 268.316 3.501 20 0 CHADMN Cc1cccc2ccnc(NC[C@H]3Cc4ccccc4O3)c12 ZINC001155978802 1132674930 /nfs/dbraw/zinc/67/49/30/1132674930.db2.gz GLOUNROJIVGVGM-MRXNPFEDSA-N 0 1 290.366 3.959 20 0 CHADMN Cc1cnc(NCCCOc2ccccc2C)c(C)c1 ZINC001156033834 1132677609 /nfs/dbraw/zinc/67/76/09/1132677609.db2.gz FKHZPMDGONYQFQ-UHFFFAOYSA-N 0 1 270.376 3.888 20 0 CHADMN CC(C)Oc1ccnc(NCc2cc3ccccc3n2C)c1 ZINC001156016494 1132678278 /nfs/dbraw/zinc/67/82/78/1132678278.db2.gz QCSGIKWNDOXIDT-UHFFFAOYSA-N 0 1 295.386 3.973 20 0 CHADMN Cc1ccc(N[C@H](c2cccnc2)C(F)(F)F)nc1C ZINC001156155713 1132684937 /nfs/dbraw/zinc/68/49/37/1132684937.db2.gz NHPOFKUREHDEDM-CYBMUJFWSA-N 0 1 281.281 3.809 20 0 CHADMN COc1ccc2cnc(NCCc3ccsc3)cc2c1 ZINC001156522150 1132702130 /nfs/dbraw/zinc/70/21/30/1132702130.db2.gz ZSTOGERZIZLLHD-UHFFFAOYSA-N 0 1 284.384 3.960 20 0 CHADMN COCc1ccccc1Nc1c(C)nc2ccc(F)cn21 ZINC001174103972 1132720547 /nfs/dbraw/zinc/72/05/47/1132720547.db2.gz DWXJDFOPJYIZHD-UHFFFAOYSA-N 0 1 285.322 3.672 20 0 CHADMN Cc1cc([C@H]2CCCCN2C(=O)C=C2CCCCC2)n[nH]1 ZINC001157193318 1132724190 /nfs/dbraw/zinc/72/41/90/1132724190.db2.gz IMFZCBCKNRDIRR-MRXNPFEDSA-N 0 1 287.407 3.662 20 0 CHADMN CC(C)Oc1ccc(Nc2ccnn2-c2ccncc2)cc1 ZINC001174109831 1132725239 /nfs/dbraw/zinc/72/52/39/1132725239.db2.gz PNWIOKNIBSNADJ-UHFFFAOYSA-N 0 1 294.358 3.798 20 0 CHADMN Cc1cc(C)nc(N2CCC(c3cccc(O)c3)CC2)c1 ZINC001157564039 1132733684 /nfs/dbraw/zinc/73/36/84/1132733684.db2.gz PSWYEHNICBBSMO-UHFFFAOYSA-N 0 1 282.387 3.788 20 0 CHADMN Cc1ccc(N[C@H](c2ccccn2)C(F)(F)F)nc1C ZINC001157684376 1132739840 /nfs/dbraw/zinc/73/98/40/1132739840.db2.gz KAFNGLUILMITNX-CYBMUJFWSA-N 0 1 281.281 3.809 20 0 CHADMN c1ccc2c(c1)NCC[C@@H]2Nc1ccc2c(n1)CCC2 ZINC001157835010 1132746314 /nfs/dbraw/zinc/74/63/14/1132746314.db2.gz QZSUHZDOODYXHC-INIZCTEOSA-N 0 1 265.360 3.539 20 0 CHADMN CC(C)Oc1ccnc(N[C@H]2CCNc3ccccc32)c1 ZINC001157835595 1132747015 /nfs/dbraw/zinc/74/70/15/1132747015.db2.gz SALRZRMOMKQBGI-INIZCTEOSA-N 0 1 283.375 3.838 20 0 CHADMN CCC(=O)c1ccccc1Nc1ccc2nccn2c1 ZINC001174279610 1132769532 /nfs/dbraw/zinc/76/95/32/1132769532.db2.gz DNWCVOMQRDFXFD-UHFFFAOYSA-N 0 1 265.316 3.671 20 0 CHADMN COc1cc(C)c(Nc2ccc3nccn3c2)cc1C ZINC001174279843 1132770032 /nfs/dbraw/zinc/77/00/32/1132770032.db2.gz KYBVXGYPVAWNOH-UHFFFAOYSA-N 0 1 267.332 3.703 20 0 CHADMN CC(=O)n1ccc2cc(Nc3ccc4nccn4c3)ccc21 ZINC001174279534 1132770360 /nfs/dbraw/zinc/77/03/60/1132770360.db2.gz FAIKHPCSACKBNY-UHFFFAOYSA-N 0 1 290.326 3.693 20 0 CHADMN Cc1cnc(NCc2c(=O)[nH]c(C)c3c2CCCC3)c(C)c1 ZINC001158493215 1132781914 /nfs/dbraw/zinc/78/19/14/1132781914.db2.gz PRMHINRUMZTRTB-UHFFFAOYSA-N 0 1 297.402 3.598 20 0 CHADMN Fc1cccc(Nc2ccc3nccn3c2)c1Cl ZINC001174276631 1132784355 /nfs/dbraw/zinc/78/43/55/1132784355.db2.gz KYIAQBPTFJFLAA-UHFFFAOYSA-N 0 1 261.687 3.870 20 0 CHADMN COc1cc(C)c(Nc2ccc3nccn3c2)c(C)c1 ZINC001174278486 1132785854 /nfs/dbraw/zinc/78/58/54/1132785854.db2.gz WJQKXSWYCNSLPA-UHFFFAOYSA-N 0 1 267.332 3.703 20 0 CHADMN CCOC(=O)C1(CNc2nc(C)cc3ccccc32)CCC1 ZINC001158620969 1132786409 /nfs/dbraw/zinc/78/64/09/1132786409.db2.gz OMXSTTBHDATSFR-UHFFFAOYSA-N 0 1 298.386 3.689 20 0 CHADMN Clc1ccc2nncc(Nc3ccc4nccn4c3)c2c1 ZINC001174278611 1132786484 /nfs/dbraw/zinc/78/64/84/1132786484.db2.gz NNWBGENDZSNVAA-UHFFFAOYSA-N 0 1 295.733 3.675 20 0 CHADMN Fc1ccc(COc2ccccc2Nc2nnco2)cc1 ZINC001174308024 1132788405 /nfs/dbraw/zinc/78/84/05/1132788405.db2.gz DFFRLKUXNWWKOF-UHFFFAOYSA-N 0 1 285.278 3.531 20 0 CHADMN Cn1cncc1Nc1ccc(OCc2ccc(F)cc2)cc1 ZINC001174317916 1132792005 /nfs/dbraw/zinc/79/20/05/1132792005.db2.gz ZPEYDDUFLRRQDQ-UHFFFAOYSA-N 0 1 297.333 3.882 20 0 CHADMN c1n[nH]c2cccc(Nc3cncc(N4CCCCC4)c3)c12 ZINC001174342814 1132799880 /nfs/dbraw/zinc/79/98/80/1132799880.db2.gz FMLRYQGFINOMHO-UHFFFAOYSA-N 0 1 293.374 3.692 20 0 CHADMN CC(=O)c1oc2cccnc2c1Nc1cccc2[nH]ncc21 ZINC001174342458 1132800361 /nfs/dbraw/zinc/80/03/61/1132800361.db2.gz BQDZTOZQFNFOKX-UHFFFAOYSA-N 0 1 292.298 3.650 20 0 CHADMN c1n[nH]c2cccc(Nc3ccc4ccncc4c3)c12 ZINC001174343707 1132800905 /nfs/dbraw/zinc/80/09/05/1132800905.db2.gz FOBDANWJEUHBDU-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN FC(F)(F)Oc1ccc(Nc2cccc3[nH]ncc32)cn1 ZINC001174343309 1132801353 /nfs/dbraw/zinc/80/13/53/1132801353.db2.gz PQMJTCVQISFALH-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN CC(C)OC(=O)c1ccc(Nc2cccc3[nH]ncc32)cc1 ZINC001174343899 1132802197 /nfs/dbraw/zinc/80/21/97/1132802197.db2.gz GDMYANNGAGZHCF-UHFFFAOYSA-N 0 1 295.342 3.872 20 0 CHADMN O=c1[nH]cc(Nc2cccc3[nH]ncc32)c2ccccc12 ZINC001174343826 1132802650 /nfs/dbraw/zinc/80/26/50/1132802650.db2.gz PYSBRSZTLXIZSC-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN Oc1ccc(Cl)c(Nc2cccc3[nH]ncc32)c1 ZINC001174345846 1132804003 /nfs/dbraw/zinc/80/40/03/1132804003.db2.gz WYHFINYDMSNIST-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN O=c1ccc2c(Nc3cccc4[nH]ncc43)cccc2[nH]1 ZINC001174345573 1132804791 /nfs/dbraw/zinc/80/47/91/1132804791.db2.gz HHQDNSKUGCTRBQ-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN COc1c(F)c(F)ccc1Nc1cccc2[nH]ncc21 ZINC001174348346 1132806753 /nfs/dbraw/zinc/80/67/53/1132806753.db2.gz ZFRSKAPLYLYHSK-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN COc1cc(Nc2ccc3ncsc3c2)ncc1C ZINC001174365028 1132821960 /nfs/dbraw/zinc/82/19/60/1132821960.db2.gz WQPIYJWTKHTWCB-UHFFFAOYSA-N 0 1 271.345 3.752 20 0 CHADMN Cn1ccc2cc(Nc3cc([C@H]4CCCCN4)no3)ccc21 ZINC001159307652 1132827351 /nfs/dbraw/zinc/82/73/51/1132827351.db2.gz CGHFXIOVJHLGMF-CQSZACIVSA-N 0 1 296.374 3.725 20 0 CHADMN c1c([C@H]2CCCCN2)noc1Nc1cnc2ccccc2c1 ZINC001159308759 1132827425 /nfs/dbraw/zinc/82/74/25/1132827425.db2.gz NDISEXWCTXAIMN-OAHLLOKOSA-N 0 1 294.358 3.781 20 0 CHADMN CCc1ccccc1Nc1cc([C@H]2CCCCN2)no1 ZINC001159307557 1132827522 /nfs/dbraw/zinc/82/75/22/1132827522.db2.gz AWDIIDHLOZZLDE-CQSZACIVSA-N 0 1 271.364 3.795 20 0 CHADMN Cc1cc(F)ccc1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159309351 1132827838 /nfs/dbraw/zinc/82/78/38/1132827838.db2.gz SXBFWUXUJQEPTR-ZDUSSCGKSA-N 0 1 275.327 3.680 20 0 CHADMN Cn1c(Nc2cc([C@@H]3CCCCN3)no2)cc2ccccc21 ZINC001159312378 1132829958 /nfs/dbraw/zinc/82/99/58/1132829958.db2.gz AEPYPQVSPIPOJQ-ZDUSSCGKSA-N 0 1 296.374 3.725 20 0 CHADMN CCOc1ccnc(NC2CC(C)(C)OC(C)(C)C2)c1 ZINC001159315756 1132830916 /nfs/dbraw/zinc/83/09/16/1132830916.db2.gz WQYQFUYRWAIDNL-UHFFFAOYSA-N 0 1 278.396 3.628 20 0 CHADMN Clc1cc2[nH]ncc2c(Nc2ccc3c(c2)NCC3)c1 ZINC001159431218 1132842980 /nfs/dbraw/zinc/84/29/80/1132842980.db2.gz LFDJSTXGWCJPBH-UHFFFAOYSA-N 0 1 284.750 3.928 20 0 CHADMN CC(C)(C)c1cncc(Nc2ccc3c[nH]nc3c2)c1 ZINC001174498433 1132864211 /nfs/dbraw/zinc/86/42/11/1132864211.db2.gz DHELDBUDBXDTNT-UHFFFAOYSA-N 0 1 266.348 3.999 20 0 CHADMN COCOc1cc(C)c(Nc2cccc3[nH]ncc32)c(C)c1 ZINC001159574349 1132864239 /nfs/dbraw/zinc/86/42/39/1132864239.db2.gz CWALXDXJUNUQMC-UHFFFAOYSA-N 0 1 297.358 3.906 20 0 CHADMN CC(C)c1ccc(Nc2ccc3c[nH]nc3c2)cn1 ZINC001174497802 1132864492 /nfs/dbraw/zinc/86/44/92/1132864492.db2.gz JZSSGNQQENKAJR-UHFFFAOYSA-N 0 1 252.321 3.825 20 0 CHADMN c1n[nH]c2cc(Nc3cc4ccccc4cn3)ccc12 ZINC001174497673 1132864798 /nfs/dbraw/zinc/86/47/98/1132864798.db2.gz DRMHEHMDCRTVID-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN Nc1cc(Cl)c(Cl)nc1Nc1ccc2cn[nH]c2c1 ZINC001174499346 1132865224 /nfs/dbraw/zinc/86/52/24/1132865224.db2.gz SSNXZKOCGRDSKD-UHFFFAOYSA-N 0 1 294.145 3.591 20 0 CHADMN Cn1cc(Nc2cccc3[nH]ncc32)c(-c2ccccc2)n1 ZINC001159574021 1132865617 /nfs/dbraw/zinc/86/56/17/1132865617.db2.gz HBWWSENGOSNYSF-UHFFFAOYSA-N 0 1 289.342 3.707 20 0 CHADMN Cc1nc2sccc2c(Nc2ccc3cn[nH]c3c2)n1 ZINC001174499479 1132867045 /nfs/dbraw/zinc/86/70/45/1132867045.db2.gz RJDLKCNQTABMQX-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN O=c1[nH]c2ccccc2cc1Nc1cccc2[nH]ncc21 ZINC001159575352 1132867305 /nfs/dbraw/zinc/86/73/05/1132867305.db2.gz YHNZJCURNAKTOL-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN [O-]c1ccc(F)c(Nc2ccc3c(c2)CC[NH2+]C3)c1Cl ZINC001159604455 1132873027 /nfs/dbraw/zinc/87/30/27/1132873027.db2.gz XNWABTJRRZAVKI-UHFFFAOYSA-N 0 1 292.741 3.574 20 0 CHADMN Cc1[nH]nc2cc(Nc3c(N)cccc3Cl)ccc12 ZINC001159620147 1132877222 /nfs/dbraw/zinc/87/72/22/1132877222.db2.gz LBKUWVMIZPUKPB-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN O=c1[nH]ccc2ccc(Nc3ccc4c[nH]nc4c3)cc21 ZINC001159662901 1132885462 /nfs/dbraw/zinc/88/54/62/1132885462.db2.gz KKNMINWVUBPBNY-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN CCOc1ccc(F)c(Nc2ccc3c[nH]nc3c2)c1 ZINC001159663310 1132886704 /nfs/dbraw/zinc/88/67/04/1132886704.db2.gz VLBGNIHNKGQLLH-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN COc1ccc(Nc2ccc3c[nH]nc3c2)c(C)c1C ZINC001159663386 1132887818 /nfs/dbraw/zinc/88/78/18/1132887818.db2.gz YZMWCIFFQUQSHS-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN CSc1ncc(C)cc1Nc1ccc2c[nH]nc2c1 ZINC001159662804 1132887990 /nfs/dbraw/zinc/88/79/90/1132887990.db2.gz FLHMZCZJHLFIPW-UHFFFAOYSA-N 0 1 270.361 3.732 20 0 CHADMN COc1cnc2c(cccc2Nc2ccc3c[nH]nc3c2)c1 ZINC001174500896 1132903163 /nfs/dbraw/zinc/90/31/63/1132903163.db2.gz UAECPGZOLVHOER-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN CC(=O)c1ccc(Nc2ccc3c[nH]nc3c2)c(F)c1 ZINC001174500944 1132903288 /nfs/dbraw/zinc/90/32/88/1132903288.db2.gz CABWDCBLSRZSDM-UHFFFAOYSA-N 0 1 269.279 3.648 20 0 CHADMN COc1ccc(C(C)=O)c(Nc2ccc3c[nH]nc3c2)c1C ZINC001174502213 1132904353 /nfs/dbraw/zinc/90/43/53/1132904353.db2.gz VSSWFAJUFYGYKX-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN COc1cc(C(C)=O)c(Nc2ccc3c[nH]nc3c2)cc1F ZINC001174502298 1132904504 /nfs/dbraw/zinc/90/45/04/1132904504.db2.gz KGVINWATZHGMMH-UHFFFAOYSA-N 0 1 299.305 3.657 20 0 CHADMN Oc1cc(Nc2ccc3c[nH]nc3c2)c(F)cc1Cl ZINC001174502260 1132904781 /nfs/dbraw/zinc/90/47/81/1132904781.db2.gz XJSYZKBDJFDOBO-UHFFFAOYSA-N 0 1 277.686 3.805 20 0 CHADMN Cn1ccc2ccc(Nc3ccnn3-c3ccncc3)cc21 ZINC001174517320 1132909811 /nfs/dbraw/zinc/90/98/11/1132909811.db2.gz JSHCKOUSWAUSAM-UHFFFAOYSA-N 0 1 289.342 3.503 20 0 CHADMN [O-]c1c(F)c(F)ccc1Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001159899097 1132921012 /nfs/dbraw/zinc/92/10/12/1132921012.db2.gz ABVUOBMZASRNDD-CYBMUJFWSA-N 0 1 290.313 3.839 20 0 CHADMN CCOc1ccc(OC)cc1Nc1ccc2nc[nH]c2c1 ZINC001160224465 1132949350 /nfs/dbraw/zinc/94/93/50/1132949350.db2.gz QZROBHKBJUKVQA-UHFFFAOYSA-N 0 1 283.331 3.714 20 0 CHADMN COc1c(C)cccc1Nc1ccc2nc[nH]c2c1 ZINC001160224324 1132950143 /nfs/dbraw/zinc/95/01/43/1132950143.db2.gz QCVXGQWVAKPJFW-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cc1cnc(NCC2(c3ccccc3)CC2)c(C)c1 ZINC001160263063 1132953746 /nfs/dbraw/zinc/95/37/46/1132953746.db2.gz RIMVDQGCYROENJ-UHFFFAOYSA-N 0 1 252.361 3.842 20 0 CHADMN Cc1ccc(Nc2cccc(Cl)c2N)c2cn[nH]c21 ZINC001160271562 1132955516 /nfs/dbraw/zinc/95/55/16/1132955516.db2.gz CGLNZMFZGCHFHO-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Clc1ncsc1CN1CCC[C@@H](C2CCC2)C1 ZINC001174704799 1132960102 /nfs/dbraw/zinc/96/01/02/1132960102.db2.gz KWHYNXXHIRDMNP-LLVKDONJSA-N 0 1 270.829 3.809 20 0 CHADMN Cc1ccc(Nc2c3cn[nH]c3ccc2C)c(N)c1 ZINC001160337879 1132964149 /nfs/dbraw/zinc/96/41/49/1132964149.db2.gz ABLURGJUQDUCQD-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN COc1cc(C)c(CNc2ccc3c(n2)CCC3)cc1C ZINC001160777181 1132982012 /nfs/dbraw/zinc/98/20/12/1132982012.db2.gz KWFBAKJILZBGKW-UHFFFAOYSA-N 0 1 282.387 3.808 20 0 CHADMN CCOc1cc(CNc2ccc3c(n2)CCCC3)ccc1O ZINC001160784799 1132982353 /nfs/dbraw/zinc/98/23/53/1132982353.db2.gz AVBCTSZQLWSGRV-UHFFFAOYSA-N 0 1 298.386 3.677 20 0 CHADMN Cc1noc2ccc(CNc3ccc4c(n3)CCC4)cc12 ZINC001160864959 1132985302 /nfs/dbraw/zinc/98/53/02/1132985302.db2.gz SAFCGFDMRIDIBE-UHFFFAOYSA-N 0 1 279.343 3.632 20 0 CHADMN c1sc(-c2ccccc2)nc1CN1C[C@H]2CC[C@@H]1C2 ZINC000055938596 1132987253 /nfs/dbraw/zinc/98/72/53/1132987253.db2.gz NIWCKEIATYZUSQ-SWLSCSKDSA-N 0 1 270.401 3.794 20 0 CHADMN Cc1cnc(NC2(c3ccccc3Cl)COC2)cc1C ZINC001161267935 1132996962 /nfs/dbraw/zinc/99/69/62/1132996962.db2.gz OKVNUMAHLSIZJO-UHFFFAOYSA-N 0 1 288.778 3.689 20 0 CHADMN CCOc1ccnc(N[C@@H](c2ccnc(F)c2)C2CC2)c1 ZINC001161841611 1133035539 /nfs/dbraw/zinc/03/55/39/1133035539.db2.gz XFDKSSSELREIGR-MRXNPFEDSA-N 0 1 287.338 3.578 20 0 CHADMN CCOc1ccnc(NC2(CC3CCC3)CCOCC2)c1 ZINC001161921913 1133039698 /nfs/dbraw/zinc/03/96/98/1133039698.db2.gz GDPRACOOQNELFS-UHFFFAOYSA-N 0 1 290.407 3.632 20 0 CHADMN CC(F)(F)CNc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001162233074 1133061732 /nfs/dbraw/zinc/06/17/32/1133061732.db2.gz NVYKUZLDINZLBL-UHFFFAOYSA-N 0 1 261.275 3.783 20 0 CHADMN CC(F)(F)CNc1ccnc(C2(C(F)(F)F)CC2)c1 ZINC001162233207 1133062085 /nfs/dbraw/zinc/06/20/85/1133062085.db2.gz RWMKQWDKOMXZMI-UHFFFAOYSA-N 0 1 280.240 3.743 20 0 CHADMN Cc1oncc1CNc1cc(OCc2ccccc2)ccn1 ZINC001162266317 1133065066 /nfs/dbraw/zinc/06/50/66/1133065066.db2.gz FNJLSPPNLKSVHD-UHFFFAOYSA-N 0 1 295.342 3.569 20 0 CHADMN Cc1nc2cncc(NC[C@H]3CCCC[C@H]3C)c2[nH]1 ZINC001162529462 1133088686 /nfs/dbraw/zinc/08/86/86/1133088686.db2.gz ALGHOPBJXNRTHH-ZYHUDNBSSA-N 0 1 258.369 3.505 20 0 CHADMN CC[C@H](C)C[C@@H](C)Nc1ccncc1C(F)(F)F ZINC001162605410 1133094013 /nfs/dbraw/zinc/09/40/13/1133094013.db2.gz NCLNUWMLMBJGTA-VHSXEESVSA-N 0 1 260.303 3.759 20 0 CHADMN Cc1ccc2c(ccnc2NCc2c(C)cc(C)[nH]c2=O)c1 ZINC001162599126 1133094156 /nfs/dbraw/zinc/09/41/56/1133094156.db2.gz FFLMCPANVMVMON-UHFFFAOYSA-N 0 1 293.370 3.873 20 0 CHADMN CCOc1ncc(Cl)cc1NC(=N)C(C)(C)C ZINC001162661257 1133102235 /nfs/dbraw/zinc/10/22/35/1133102235.db2.gz SOIJHCWUAVMJFA-UHFFFAOYSA-N 0 1 255.749 3.569 20 0 CHADMN C[C@@H]1CCCCN1c1cccc(NC(=N)C(C)(C)C)n1 ZINC001162661961 1133101564 /nfs/dbraw/zinc/10/15/64/1133101564.db2.gz JPJPNRLUHUBZLR-GFCCVEGCSA-N 0 1 274.412 3.896 20 0 CHADMN Cc1cc(C)c(NC(=N)C(C)(C)C)nc1Br ZINC001162664674 1133103109 /nfs/dbraw/zinc/10/31/09/1133103109.db2.gz LPZWYZPDWWPIKT-UHFFFAOYSA-N 0 1 284.201 3.896 20 0 CHADMN Cc1cnc(NC[C@H](O)c2cc3ccccc3o2)cc1C ZINC001162697954 1133103753 /nfs/dbraw/zinc/10/37/53/1133103753.db2.gz RJZVDNBVKVFFLG-AWEZNQCLSA-N 0 1 282.343 3.590 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1nc(C)nc2c1CCCC2 ZINC001163041470 1133127682 /nfs/dbraw/zinc/12/76/82/1133127682.db2.gz CACIKLSDZFACPO-UHFFFAOYSA-N 0 1 293.374 3.592 20 0 CHADMN CC(C)Oc1ccnc(N[C@@H]2CCc3c2cccc3O)c1 ZINC001163193459 1133134975 /nfs/dbraw/zinc/13/49/75/1133134975.db2.gz AIICNVWJTKGINA-OAHLLOKOSA-N 0 1 284.359 3.674 20 0 CHADMN CC(C)c1ccc(CNc2cccc3[nH]nnc32)cc1 ZINC001163822892 1133177021 /nfs/dbraw/zinc/17/70/21/1133177021.db2.gz TYXMZLBCKRVRGI-UHFFFAOYSA-N 0 1 266.348 3.693 20 0 CHADMN Cc1ccc(NC(=N)C23CC4CC(CC(C4)C2)C3)nc1 ZINC001163839875 1133178036 /nfs/dbraw/zinc/17/80/36/1133178036.db2.gz RQEOPAGRNFNWJI-UHFFFAOYSA-N 0 1 269.392 3.996 20 0 CHADMN CSCCCNc1ccnc(C2(C(F)(F)F)CC2)c1 ZINC001163875542 1133181934 /nfs/dbraw/zinc/18/19/34/1133181934.db2.gz JQRIUVACNXTWBK-UHFFFAOYSA-N 0 1 290.354 3.841 20 0 CHADMN Cc1ccccc1OCCCNc1cc2nc[nH]c2cc1F ZINC001163975211 1133189989 /nfs/dbraw/zinc/18/99/89/1133189989.db2.gz LMRLWTKVFNZURX-UHFFFAOYSA-N 0 1 299.349 3.891 20 0 CHADMN Cc1c(NC(=O)C(C)(C)C)ccnc1NC1(C)CCC1 ZINC001164029747 1133193329 /nfs/dbraw/zinc/19/33/29/1133193329.db2.gz FRWRQCBCDNWFGZ-UHFFFAOYSA-N 0 1 275.396 3.729 20 0 CHADMN Cc1ccnc(N[C@H](c2cccnc2)C(F)(F)F)c1C ZINC001164175999 1133203767 /nfs/dbraw/zinc/20/37/67/1133203767.db2.gz NLLRRHKKJHRTFO-GFCCVEGCSA-N 0 1 281.281 3.809 20 0 CHADMN COc1ccc2c(ccnc2N2CC[C@@](C)(F)[C@H](F)C2)c1 ZINC001164325084 1133213050 /nfs/dbraw/zinc/21/30/50/1133213050.db2.gz AGEVRFXFHMOIAB-GDBMZVCRSA-N 0 1 292.329 3.520 20 0 CHADMN CCc1ccc(CN2CCC(F)(F)C(C)(C)C2)o1 ZINC001204389903 1133216886 /nfs/dbraw/zinc/21/68/86/1133216886.db2.gz YRQSWQVCVXOISV-UHFFFAOYSA-N 0 1 257.324 3.709 20 0 CHADMN CCCCN1C(=O)N=NC1SC[C@@H](C)CC(C)C ZINC001164547928 1133222537 /nfs/dbraw/zinc/22/25/37/1133222537.db2.gz UFWILCGFVKACMY-NSHDSACASA-N 0 1 271.430 3.558 20 0 CHADMN Cc1cc(C)nc(N(C)Cc2ncccc2C(F)(F)F)c1 ZINC001165223682 1133231003 /nfs/dbraw/zinc/23/10/03/1133231003.db2.gz SJZNLIUSHDENII-UHFFFAOYSA-N 0 1 295.308 3.749 20 0 CHADMN Cc1ccc2c(ccnc2NCCCc2ccncc2)c1 ZINC001165486096 1133243618 /nfs/dbraw/zinc/24/36/18/1133243618.db2.gz JCELFMPROVXCQQ-UHFFFAOYSA-N 0 1 277.371 3.983 20 0 CHADMN Cc1nc([C@@H](C)S[C@@H](C)c2ccccc2F)n[nH]1 ZINC001165593578 1133246841 /nfs/dbraw/zinc/24/68/41/1133246841.db2.gz MOSXGZCWURILNP-DTWKUNHWSA-N 0 1 265.357 3.808 20 0 CHADMN Cc1nc2ccc(NC3CCC(C(F)(F)F)CC3)nc2[nH]1 ZINC001165642872 1133247668 /nfs/dbraw/zinc/24/76/68/1133247668.db2.gz XXFVUUZMHNAXCQ-UHFFFAOYSA-N 0 1 298.312 3.799 20 0 CHADMN Cc1cnc(N(C)CCCc2ccccc2)cc1C ZINC001166557329 1133270295 /nfs/dbraw/zinc/27/02/95/1133270295.db2.gz WVNRBXJHYNGAIE-UHFFFAOYSA-N 0 1 254.377 3.767 20 0 CHADMN COc1ccc2c(ccnc2N2CCC[C@H](C)[C@@H]2C)c1 ZINC001166611184 1133275214 /nfs/dbraw/zinc/27/52/14/1133275214.db2.gz RQSRZSAEANSCBU-STQMWFEESA-N 0 1 270.376 3.868 20 0 CHADMN Cc1cc(NC2CC2)nc(NCc2ccccc2C2CC2)n1 ZINC001166981610 1133296559 /nfs/dbraw/zinc/29/65/59/1133296559.db2.gz LDLDTFIHQLFZDZ-UHFFFAOYSA-N 0 1 294.402 3.849 20 0 CHADMN CCOc1ccnc(N(C)Cc2csc(C(C)C)n2)c1 ZINC001167003956 1133297564 /nfs/dbraw/zinc/29/75/64/1133297564.db2.gz SSWPDMHPGCFGTK-UHFFFAOYSA-N 0 1 291.420 3.697 20 0 CHADMN CCc1cc(CN2CCC(c3ccccc3F)CC2)on1 ZINC001203219343 1133306653 /nfs/dbraw/zinc/30/66/53/1133306653.db2.gz MMJULLKTXMLICI-UHFFFAOYSA-N 0 1 288.366 3.756 20 0 CHADMN c1cc(CNCCc2cccc(-c3ccccc3)c2)no1 ZINC001203235496 1133307580 /nfs/dbraw/zinc/30/75/80/1133307580.db2.gz RJDHLZKKMFBLTC-UHFFFAOYSA-N 0 1 278.355 3.674 20 0 CHADMN CCc1nc(C)c(CN2CCc3ccccc3[C@H]2CC)[nH]1 ZINC001203247486 1133309177 /nfs/dbraw/zinc/30/91/77/1133309177.db2.gz GIJJLXNSHLVWQY-QGZVFWFLSA-N 0 1 283.419 3.790 20 0 CHADMN CC(C)Oc1ncc(Cl)cc1Nc1nonc1C1CC1 ZINC001203314373 1133314319 /nfs/dbraw/zinc/31/43/19/1133314319.db2.gz UKHAJARQOAESKK-UHFFFAOYSA-N 0 1 294.742 3.526 20 0 CHADMN CC1CC(N(C)Cc2ccccc2Br)C1 ZINC001203319804 1133315186 /nfs/dbraw/zinc/31/51/86/1133315186.db2.gz ARRUSZZOUVQMNS-UHFFFAOYSA-N 0 1 268.198 3.679 20 0 CHADMN COCC[N@@H+](Cc1ccc(Cl)cc1Cl)C(C)C ZINC001203394568 1133321007 /nfs/dbraw/zinc/32/10/07/1133321007.db2.gz LAIWFHYOXXHYDC-UHFFFAOYSA-N 0 1 276.207 3.850 20 0 CHADMN COCCN(Cc1ccc(Cl)cc1Cl)C(C)C ZINC001203394568 1133321011 /nfs/dbraw/zinc/32/10/11/1133321011.db2.gz LAIWFHYOXXHYDC-UHFFFAOYSA-N 0 1 276.207 3.850 20 0 CHADMN Fc1cccc(OC2CCCCC2)c1N=C1CCOC1 ZINC001203395672 1133323184 /nfs/dbraw/zinc/32/31/84/1133323184.db2.gz LNFZQTNTANPGTN-UHFFFAOYSA-N 0 1 277.339 3.863 20 0 CHADMN COc1ccc(OC)c(CN2CCc3ccccc3[C@@H]2C)c1 ZINC001203518958 1133335569 /nfs/dbraw/zinc/33/55/69/1133335569.db2.gz UWRFBDQABVEKMU-AWEZNQCLSA-N 0 1 297.398 3.823 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cncc(OC)c1C ZINC001203519306 1133335940 /nfs/dbraw/zinc/33/59/40/1133335940.db2.gz DDQXUEKAUHATJT-UHFFFAOYSA-N 0 1 295.342 3.699 20 0 CHADMN CCOc1ncccc1Nc1ccnc2cc(OC)ccc21 ZINC001203521419 1133336152 /nfs/dbraw/zinc/33/61/52/1133336152.db2.gz AQYPNIKEJOZSJK-UHFFFAOYSA-N 0 1 295.342 3.781 20 0 CHADMN CCOc1ccccc1CN1CCCC[C@@](C)(F)C1 ZINC001203534996 1133337185 /nfs/dbraw/zinc/33/71/85/1133337185.db2.gz KYQRNRQYQFXEOF-MRXNPFEDSA-N 0 1 265.372 3.799 20 0 CHADMN CCN(c1ccccc1N)c1ccnc2cc(OC)ccc21 ZINC001203525714 1133338107 /nfs/dbraw/zinc/33/81/07/1133338107.db2.gz CHJSOZMNJHIWTM-UHFFFAOYSA-N 0 1 293.370 3.984 20 0 CHADMN Fc1cccc(Cl)c1CNC[C@H]1CC2(CCC2)CO1 ZINC001203706416 1133356437 /nfs/dbraw/zinc/35/64/37/1133356437.db2.gz JNSAAGFPJRETOD-LLVKDONJSA-N 0 1 283.774 3.528 20 0 CHADMN Cc1ccc(CN2CCC(=O)[C@@H]3CCCC[C@H]32)c(C)c1 ZINC001203729542 1133360195 /nfs/dbraw/zinc/36/01/95/1133360195.db2.gz PBVXJGVZULFBKW-IAGOWNOFSA-N 0 1 271.404 3.637 20 0 CHADMN Cc1cc(C)c(CN2CC3(C2)CC(F)(F)CS3)c(C)c1 ZINC001203746731 1133364283 /nfs/dbraw/zinc/36/42/83/1133364283.db2.gz UXNDRYRHKFDJOX-UHFFFAOYSA-N 0 1 297.414 3.938 20 0 CHADMN CCN(Cc1ccccn1)Cc1cc(C)c(OC)cc1C ZINC001203761620 1133366177 /nfs/dbraw/zinc/36/61/77/1133366177.db2.gz XMAZADIICUMUJV-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN Fc1ccc(O[C@H]2CC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC001203786765 1133368466 /nfs/dbraw/zinc/36/84/66/1133368466.db2.gz PANROSSEJNFLFO-KRWDZBQOSA-N 0 1 289.325 3.618 20 0 CHADMN Fc1ccc(O[C@H]2CCN(Cc3cccc(F)c3)C2)cc1 ZINC001203786765 1133368468 /nfs/dbraw/zinc/36/84/68/1133368468.db2.gz PANROSSEJNFLFO-KRWDZBQOSA-N 0 1 289.325 3.618 20 0 CHADMN Clc1cccc(CN2CCC(c3ncccn3)CC2)c1 ZINC001203800292 1133369409 /nfs/dbraw/zinc/36/94/09/1133369409.db2.gz RCVGOMGAHIDGFY-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN FC[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC001203797343 1133369604 /nfs/dbraw/zinc/36/96/04/1133369604.db2.gz JOBCLFUISXBBMH-ZYHUDNBSSA-N 0 1 295.707 3.920 20 0 CHADMN COc1ccc(CN2CC3(C2)CCCCC3)cc1F ZINC001203791945 1133369801 /nfs/dbraw/zinc/36/98/01/1133369801.db2.gz JHMNRJVYVUVDPR-UHFFFAOYSA-N 0 1 263.356 3.600 20 0 CHADMN Oc1cccc(CN2CCC[C@@H]2c2ccccc2F)c1 ZINC001203862230 1133376566 /nfs/dbraw/zinc/37/65/66/1133376566.db2.gz CGDRYIRJPZAVCU-QGZVFWFLSA-N 0 1 271.335 3.868 20 0 CHADMN O=C1CCC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]12 ZINC001203887770 1133379363 /nfs/dbraw/zinc/37/93/63/1133379363.db2.gz OXJOOUODUHGUSX-JSGCOSHPSA-N 0 1 297.320 3.506 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1ccc(OC)c(C)c1)C2 ZINC001203893822 1133381066 /nfs/dbraw/zinc/38/10/66/1133381066.db2.gz AEVUICGQKNNFHH-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN C[C@]1(CF)CCN(Cc2ccc(Br)cc2)C1 ZINC001203909603 1133382884 /nfs/dbraw/zinc/38/28/84/1133382884.db2.gz OSLHSXYZMXRJKH-CYBMUJFWSA-N 0 1 286.188 3.631 20 0 CHADMN Fc1ccc(CN2CCSc3ccccc3C2)cc1 ZINC001203915234 1133383321 /nfs/dbraw/zinc/38/33/21/1133383321.db2.gz NPYCMXIMHJFRJH-UHFFFAOYSA-N 0 1 273.376 3.934 20 0 CHADMN CCOC(=O)[C@@]1(C)CCCN(Cc2ccc(Cl)cc2)C1 ZINC001203924093 1133385964 /nfs/dbraw/zinc/38/59/64/1133385964.db2.gz ZPTMVZVFGDHAFU-INIZCTEOSA-N 0 1 295.810 3.505 20 0 CHADMN COC[C@@H]1CCN1Cc1ccc(Oc2ccccc2)cc1 ZINC001203943637 1133387749 /nfs/dbraw/zinc/38/77/49/1133387749.db2.gz INRQYASESJDSHR-INIZCTEOSA-N 0 1 283.371 3.700 20 0 CHADMN COc1ccc2ccccc2c1CN1CCCC(=O)[C@@H](C)C1 ZINC001203986640 1133393479 /nfs/dbraw/zinc/39/34/79/1133393479.db2.gz LEOAFFUVNBILPZ-AWEZNQCLSA-N 0 1 297.398 3.649 20 0 CHADMN COc1ccc2ccccc2c1CN1C[C@H](F)C[C@H]1C ZINC001203987240 1133394382 /nfs/dbraw/zinc/39/43/82/1133394382.db2.gz RQYZRLKFJHMLRK-TZMCWYRMSA-N 0 1 273.351 3.781 20 0 CHADMN Fc1ccc(CN(Cc2cccc3c2OCC3)C2CC2)cc1 ZINC001204144898 1133410320 /nfs/dbraw/zinc/41/03/20/1133410320.db2.gz LAJSOSLWVHGMOO-UHFFFAOYSA-N 0 1 297.373 3.925 20 0 CHADMN CC(C)c1ccc(CN2CCc3occc3C2)cc1 ZINC001204168879 1133413884 /nfs/dbraw/zinc/41/38/84/1133413884.db2.gz VOMLJTHYOZBIHE-UHFFFAOYSA-N 0 1 255.361 3.961 20 0 CHADMN Cc1ccc(CN2CCC(=O)[C@@H](C)C23CCCC3)cc1 ZINC001204173832 1133414273 /nfs/dbraw/zinc/41/42/73/1133414273.db2.gz JIVKPAGZVNEPEM-OAHLLOKOSA-N 0 1 271.404 3.719 20 0 CHADMN COc1cccc2c1CN(Cc1ccc(C)cc1)CC2 ZINC001204169578 1133415207 /nfs/dbraw/zinc/41/52/07/1133415207.db2.gz WEGMCORARMMJME-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN CC1(C)CCC2(CCN(Cc3cc(F)ccc3F)CC2)O1 ZINC001204220680 1133421893 /nfs/dbraw/zinc/42/18/93/1133421893.db2.gz VGMASFJZSOUOMA-UHFFFAOYSA-N 0 1 295.373 3.888 20 0 CHADMN COc1cccc(OC)c1CN1CCC(F)(F)C(C)(C)C1 ZINC001204248984 1133424655 /nfs/dbraw/zinc/42/46/55/1133424655.db2.gz JSXATZVLMOTMMD-UHFFFAOYSA-N 0 1 299.361 3.571 20 0 CHADMN COc1cccc(OC)c1CN(C)[C@@H]1CCc2ccccc21 ZINC001204254005 1133425805 /nfs/dbraw/zinc/42/58/05/1133425805.db2.gz OHTFCZVYNOMXPN-QGZVFWFLSA-N 0 1 297.398 3.823 20 0 CHADMN C[C@@]1(CF)CCN(Cc2ccc(F)c(Cl)c2)C1 ZINC001204281152 1133427460 /nfs/dbraw/zinc/42/74/60/1133427460.db2.gz UGYBSXMDXQLVSP-ZDUSSCGKSA-N 0 1 259.727 3.661 20 0 CHADMN CCCOc1ccc(CN2C[C@@H](C)C[C@H]2CF)cc1 ZINC001204305486 1133434247 /nfs/dbraw/zinc/43/42/47/1133434247.db2.gz KRKVRVFOSDRPBP-ZFWWWQNUSA-N 0 1 265.372 3.655 20 0 CHADMN CCOc1ccc(CN2CC3(C2)CCCCC3)cc1OC ZINC001204363093 1133441053 /nfs/dbraw/zinc/44/10/53/1133441053.db2.gz XTIPWYDIELAUKB-UHFFFAOYSA-N 0 1 289.419 3.860 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(-n3ccnc3)cc2)o1 ZINC001204394913 1133442750 /nfs/dbraw/zinc/44/27/50/1133442750.db2.gz VUWCUZZKLPLDNA-UHFFFAOYSA-N 0 1 295.386 3.660 20 0 CHADMN CCc1ccc(CN2CCSc3ccccc3C2)o1 ZINC001204394397 1133443299 /nfs/dbraw/zinc/44/32/99/1133443299.db2.gz MWMLMYIDZGFZJD-UHFFFAOYSA-N 0 1 273.401 3.950 20 0 CHADMN C[C@H]1CN(Cc2ccccc2OC(F)(F)F)C2(CC2)C1 ZINC001204428330 1133445914 /nfs/dbraw/zinc/44/59/14/1133445914.db2.gz IDPSEMANEVXCBO-LLVKDONJSA-N 0 1 285.309 3.960 20 0 CHADMN F[C@H]1CCCCN(Cc2cccc(OC(F)(F)F)c2)C1 ZINC001204428732 1133446158 /nfs/dbraw/zinc/44/61/58/1133446158.db2.gz NKCLBIRZOJSOBL-LBPRGKRZSA-N 0 1 291.288 3.909 20 0 CHADMN C[C@@H]1CN(Cc2ccc(F)cc2Cl)C2(CC2)C1 ZINC001204439472 1133447305 /nfs/dbraw/zinc/44/73/05/1133447305.db2.gz VJFGMKPDMSLGST-JTQLQIEISA-N 0 1 253.748 3.854 20 0 CHADMN CCCN(CCOC)Cc1c(F)cccc1C(F)(F)F ZINC001204457323 1133449623 /nfs/dbraw/zinc/44/96/23/1133449623.db2.gz UUZAFYGKSLEILF-UHFFFAOYSA-N 0 1 293.304 3.703 20 0 CHADMN Fc1cc(C(F)(F)F)ccc1CN1CC2CC(C2)C1 ZINC001204469139 1133450873 /nfs/dbraw/zinc/45/08/73/1133450873.db2.gz KZCXCUSBXBVGPZ-UHFFFAOYSA-N 0 1 273.273 3.686 20 0 CHADMN Fc1cc(CN2CCc3ccccc3CC2)cc(F)c1F ZINC001204528342 1133457638 /nfs/dbraw/zinc/45/76/38/1133457638.db2.gz YVFCRJWKGGEIIB-UHFFFAOYSA-N 0 1 291.316 3.705 20 0 CHADMN Fc1cc(CN2CC[C@@H]3CCC[C@@H]3C2)cc(F)c1F ZINC001204525129 1133458213 /nfs/dbraw/zinc/45/82/13/1133458213.db2.gz QISQMACDXOJWSB-NWDGAFQWSA-N 0 1 269.310 3.726 20 0 CHADMN Cc1cc(CN2CC[C@](CF)(C(F)(F)F)C2)oc1C ZINC001204536415 1133459020 /nfs/dbraw/zinc/45/90/20/1133459020.db2.gz HVCKYDCFQPMILO-GFCCVEGCSA-N 0 1 279.277 3.620 20 0 CHADMN C[C@H]1CN(Cc2cc(Cl)ccc2Cl)CCC[C@H]1O ZINC001204562763 1133462662 /nfs/dbraw/zinc/46/26/62/1133462662.db2.gz QMRLDSOMSDUVEH-IINYFYTJSA-N 0 1 288.218 3.586 20 0 CHADMN CCN(Cc1cnn(C)c1)[C@H](C)c1nccc2ccccc21 ZINC001204564704 1133462766 /nfs/dbraw/zinc/46/27/66/1133462766.db2.gz JCKPMTVZLWRVID-CQSZACIVSA-N 0 1 294.402 3.551 20 0 CHADMN CCCN(CCOC)Cc1cc(Cl)ccc1Cl ZINC001204563001 1133463053 /nfs/dbraw/zinc/46/30/53/1133463053.db2.gz XJFAGPGHTXPBKF-UHFFFAOYSA-N 0 1 276.207 3.852 20 0 CHADMN COc1cc(CN2CC3(C2)CCCCC3)ccc1F ZINC001204560291 1133463127 /nfs/dbraw/zinc/46/31/27/1133463127.db2.gz ZGTNWJQDYJXGCD-UHFFFAOYSA-N 0 1 263.356 3.600 20 0 CHADMN Cc1nc[nH]c1C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001204589943 1133464250 /nfs/dbraw/zinc/46/42/50/1133464250.db2.gz LPKVOKKDWXGQBF-NSHDSACASA-N 0 1 263.772 3.565 20 0 CHADMN Cc1nc[nH]c1CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001204589943 1133464253 /nfs/dbraw/zinc/46/42/53/1133464253.db2.gz LPKVOKKDWXGQBF-NSHDSACASA-N 0 1 263.772 3.565 20 0 CHADMN CC(C)Oc1ccc(F)c(-c2nccc3nc[nH]c32)c1F ZINC001204628154 1133469234 /nfs/dbraw/zinc/46/92/34/1133469234.db2.gz GZSZZJIXYRFLEH-UHFFFAOYSA-N 0 1 289.285 3.690 20 0 CHADMN COC(=O)c1occc1C[N@H+]1CCCC[C@H]1CCC(C)C ZINC001204640619 1133469970 /nfs/dbraw/zinc/46/99/70/1133469970.db2.gz PNHIQDBGSBVEBS-HNNXBMFYSA-N 0 1 293.407 3.857 20 0 CHADMN COC(=O)c1occc1CN1CCCC[C@H]1CCC(C)C ZINC001204640619 1133469975 /nfs/dbraw/zinc/46/99/75/1133469975.db2.gz PNHIQDBGSBVEBS-HNNXBMFYSA-N 0 1 293.407 3.857 20 0 CHADMN COc1nsc(CN2CCC[C@@H]2CC(C)C)c1Cl ZINC001204657933 1133472378 /nfs/dbraw/zinc/47/23/78/1133472378.db2.gz NEYLCAKBERBUCJ-SNVBAGLBSA-N 0 1 288.844 3.816 20 0 CHADMN CC(C)C1(C[N@@H+](C)Cc2ccn(-c3ccccc3)n2)CC1 ZINC001204730953 1133479545 /nfs/dbraw/zinc/47/95/45/1133479545.db2.gz YPPSPJAJSMQWNQ-UHFFFAOYSA-N 0 1 283.419 3.740 20 0 CHADMN CC(C)C1(CN(C)Cc2ccn(-c3ccccc3)n2)CC1 ZINC001204730953 1133479547 /nfs/dbraw/zinc/47/95/47/1133479547.db2.gz YPPSPJAJSMQWNQ-UHFFFAOYSA-N 0 1 283.419 3.740 20 0 CHADMN CC(C)C1(CN2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001204833460 1133490419 /nfs/dbraw/zinc/49/04/19/1133490419.db2.gz NHAKOOBMLBWXFN-MRXNPFEDSA-N 0 1 277.383 3.635 20 0 CHADMN CC(C)C[C@@H]1COCCN1Cc1ccc(C2CC2)cc1 ZINC001204875593 1133495186 /nfs/dbraw/zinc/49/51/86/1133495186.db2.gz NZHDASKKRHPQEK-GOSISDBHSA-N 0 1 273.420 3.811 20 0 CHADMN CN[C@H](c1nc(-c2ccc(Cl)c(F)c2)no1)C(C)(C)C ZINC001204888292 1133496052 /nfs/dbraw/zinc/49/60/52/1133496052.db2.gz GVQWUHVOPZICPC-LLVKDONJSA-N 0 1 297.761 3.836 20 0 CHADMN CCN(Cc1ccccc1)Cc1ccc(OC)cc1F ZINC001204900397 1133497166 /nfs/dbraw/zinc/49/71/66/1133497166.db2.gz UEVMAZCWOWGUCP-UHFFFAOYSA-N 0 1 273.351 3.856 20 0 CHADMN CN[C@H](c1nc(-c2cncc3ccccc32)no1)C(C)(C)C ZINC001204895349 1133497333 /nfs/dbraw/zinc/49/73/33/1133497333.db2.gz OXAFPQWJMWVMEA-CQSZACIVSA-N 0 1 296.374 3.591 20 0 CHADMN c1nc(CN2CCC(Cc3ccccc3)CC2)cn1C1CC1 ZINC001205053152 1133521103 /nfs/dbraw/zinc/52/11/03/1133521103.db2.gz RHKDUAHFRKGFET-UHFFFAOYSA-N 0 1 295.430 3.673 20 0 CHADMN Cc1cccc(CN2CC[C@](C)(F)[C@H](F)C2)c1C ZINC001205066958 1133522566 /nfs/dbraw/zinc/52/25/66/1133522566.db2.gz JMZPRYUBTYJNAK-CABCVRRESA-N 0 1 253.336 3.575 20 0 CHADMN Cc1ccccc1CN(C)Cc1cccc2c1OCC2 ZINC001205157040 1133538474 /nfs/dbraw/zinc/53/84/74/1133538474.db2.gz SLOGLXMBQFXHGD-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN Cc1cc(CN2CCC3(CC(F)(F)CO3)CC2)ccc1F ZINC001205162327 1133539574 /nfs/dbraw/zinc/53/95/74/1133539574.db2.gz PUHBZTHYGITGTM-UHFFFAOYSA-N 0 1 299.336 3.524 20 0 CHADMN Cc1cc(CN2CC[C@@H]2COCc2ccccc2)ccc1F ZINC001205186812 1133542982 /nfs/dbraw/zinc/54/29/82/1133542982.db2.gz CFTSERQKYHBFOO-GOSISDBHSA-N 0 1 299.389 3.925 20 0 CHADMN Cc1cc(CN(C)CCC(=O)c2cccs2)ccc1F ZINC001205198779 1133545064 /nfs/dbraw/zinc/54/50/64/1133545064.db2.gz QGFLXLHQVAAHNS-UHFFFAOYSA-N 0 1 291.391 3.900 20 0 CHADMN Cc1ccc(CN2CC[C@H](F)C(F)(F)CC2)cc1F ZINC001205205614 1133546182 /nfs/dbraw/zinc/54/61/82/1133546182.db2.gz CQIADARTGIIKKZ-ZDUSSCGKSA-N 0 1 275.289 3.703 20 0 CHADMN CCC[C@@H](CN(Cc1ccccc1F)C1CC1)OC ZINC001205225506 1133547909 /nfs/dbraw/zinc/54/79/09/1133547909.db2.gz XAMMCGIHCKDNDV-HNNXBMFYSA-N 0 1 265.372 3.605 20 0 CHADMN COc1ccc(CN2CC=C(c3cccc(C)c3)CC2)o1 ZINC001205359683 1133570353 /nfs/dbraw/zinc/57/03/53/1133570353.db2.gz FEAIOMFQMYPLBY-UHFFFAOYSA-N 0 1 283.371 3.886 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@@H](C(F)F)C2)c1 ZINC001205648567 1133598829 /nfs/dbraw/zinc/59/88/29/1133598829.db2.gz VBWBSYYJNSUDMM-LLVKDONJSA-N 0 1 257.299 3.611 20 0 CHADMN Fc1ccc(-c2cncc3nc[nH]c32)c(Cl)c1F ZINC001205681810 1133601828 /nfs/dbraw/zinc/60/18/28/1133601828.db2.gz GIHOXLKZUNIKID-UHFFFAOYSA-N 0 1 265.650 3.557 20 0 CHADMN CC[C@H]1CCCC[C@H]1N(C)Cc1c(Cl)c(C)nn1C ZINC001205702939 1133604150 /nfs/dbraw/zinc/60/41/50/1133604150.db2.gz RRHJFHIADXPPTH-QWHCGFSZSA-N 0 1 283.847 3.783 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1snc(OC)c1Cl ZINC001205703118 1133605014 /nfs/dbraw/zinc/60/50/14/1133605014.db2.gz WLJTYAGUTNQRQU-DTWKUNHWSA-N 0 1 274.817 3.568 20 0 CHADMN COc1cccc(OC)c1CN1CCC=C(c2ccco2)C1 ZINC001205753516 1133608738 /nfs/dbraw/zinc/60/87/38/1133608738.db2.gz XLTUWWLXADRGPX-UHFFFAOYSA-N 0 1 299.370 3.586 20 0 CHADMN CC(C)C(CN1C[C@H](C(F)(F)F)OC[C@H]1C)C(C)C ZINC001205747812 1133609027 /nfs/dbraw/zinc/60/90/27/1133609027.db2.gz NEEISIDJJFLSGD-DGCLKSJQSA-N 0 1 281.362 3.566 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1ccc(C(F)(F)F)nc1Cl ZINC001205840640 1133621099 /nfs/dbraw/zinc/62/10/99/1133621099.db2.gz MERXUXUSBZJQSM-QMMMGPOBSA-N 0 1 292.732 3.984 20 0 CHADMN C[C@H]1CCC(C)(C)C[C@H]1NCc1ncn(-c2ccccc2)n1 ZINC001205988071 1133639131 /nfs/dbraw/zinc/63/91/31/1133639131.db2.gz FBTVHIQFQOVSGW-GOEBONIOSA-N 0 1 298.434 3.572 20 0 CHADMN Fc1ccc(Cl)cc1CN1CCC[C@@H](F)CC1 ZINC001205998470 1133640142 /nfs/dbraw/zinc/64/01/42/1133640142.db2.gz CYTHQJLNNBNIGD-GFCCVEGCSA-N 0 1 259.727 3.803 20 0 CHADMN CNC(C)(C)c1nc(-c2cc(C)ccc2C(F)(F)F)no1 ZINC001206010347 1133641128 /nfs/dbraw/zinc/64/11/28/1133641128.db2.gz KWAWZVMEGABLEQ-UHFFFAOYSA-N 0 1 299.296 3.518 20 0 CHADMN Oc1ccc(-c2cccc(C3=NCCC3)c2)c(F)c1 ZINC001206080658 1133653928 /nfs/dbraw/zinc/65/39/28/1133653928.db2.gz OGFIXGCTBBWVJW-UHFFFAOYSA-N 0 1 255.292 3.781 20 0 CHADMN C[C@H](CC1CCCCC1)CN1CC(O)(c2ccccc2)C1 ZINC001206100348 1133657807 /nfs/dbraw/zinc/65/78/07/1133657807.db2.gz ZQIMBJCCCBXZOC-MRXNPFEDSA-N 0 1 287.447 3.796 20 0 CHADMN COc1cnc(F)c(CN2CC[C@H](C(C)(C)C)C[C@H]2C)c1 ZINC001206115970 1133659563 /nfs/dbraw/zinc/65/95/63/1133659563.db2.gz KKNLHPGXZPQQCL-OCCSQVGLSA-N 0 1 294.414 3.876 20 0 CHADMN Cc1c(Cl)ccc(-c2cc3nc[nH]c3cn2)c1F ZINC001206266236 1133679435 /nfs/dbraw/zinc/67/94/35/1133679435.db2.gz AITFIYMLPHOHOD-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN Cc1ccnc(N)c1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1C ZINC001206276673 1133680864 /nfs/dbraw/zinc/68/08/64/1133680864.db2.gz NLGSFAHTRSSVKP-QGZVFWFLSA-N 0 1 299.393 3.757 20 0 CHADMN CC[C@H]1CN(Cc2ccc3occc3c2)C[C@H](CC)O1 ZINC001206349980 1133693880 /nfs/dbraw/zinc/69/38/80/1133693880.db2.gz FBOTZOXIQNCOGW-HOTGVXAUSA-N 0 1 273.376 3.822 20 0 CHADMN CC1(C)c2ccccc2CCN1Cc1cccc2c1OCO2 ZINC001206385215 1133697560 /nfs/dbraw/zinc/69/75/60/1133697560.db2.gz SYGIJHWONGPJHP-UHFFFAOYSA-N 0 1 295.382 3.709 20 0 CHADMN CCN(C)C(=O)c1cccc(-c2cc3[nH]cnc3cc2C)c1 ZINC001206493267 1133709838 /nfs/dbraw/zinc/70/98/38/1133709838.db2.gz RFVRORWDAGQUIC-UHFFFAOYSA-N 0 1 293.370 3.630 20 0 CHADMN Cc1ccnc(N[C@@H]2CC[C@H]3COCC[C@@H]3C2)c1C1CC1 ZINC001206591902 1133723959 /nfs/dbraw/zinc/72/39/59/1133723959.db2.gz WKSVBKKDYSSECM-OWCLPIDISA-N 0 1 286.419 3.885 20 0 CHADMN Fc1cc(-c2cccc(C3=NCCC3)c2)cc2n[nH]cc21 ZINC001206603153 1133725995 /nfs/dbraw/zinc/72/59/95/1133725995.db2.gz XTMMGCVJLOPVGC-UHFFFAOYSA-N 0 1 279.318 3.952 20 0 CHADMN C[C@]1(C2CC2)CN(Cc2ccc3c(c2)CCCC3)CCO1 ZINC001206657659 1133730910 /nfs/dbraw/zinc/73/09/10/1133730910.db2.gz STUNYNOASHVLEK-LJQANCHMSA-N 0 1 285.431 3.566 20 0 CHADMN COc1cc(C)ccc1CN(C)Cc1cccc(C)c1 ZINC001206742027 1133738744 /nfs/dbraw/zinc/73/87/44/1133738744.db2.gz VCRLIAMNFCLWHT-UHFFFAOYSA-N 0 1 269.388 3.944 20 0 CHADMN COCCCC1(CNCC(F)(F)C(C)(C)C)CCC1 ZINC001206761668 1133743496 /nfs/dbraw/zinc/74/34/96/1133743496.db2.gz FBIOPHZMWUIMJP-UHFFFAOYSA-N 0 1 277.399 3.854 20 0 CHADMN Cc1cc2[nH]ccc2c(-c2cc(F)c(O)cc2F)n1 ZINC001206761442 1133743879 /nfs/dbraw/zinc/74/38/79/1133743879.db2.gz LENPOBQTPWBMJD-UHFFFAOYSA-N 0 1 260.243 3.522 20 0 CHADMN Cc1cc2ccncc2nc1-c1cc(F)c(O)cc1F ZINC001206776076 1133747131 /nfs/dbraw/zinc/74/71/31/1133747131.db2.gz ZEEFIZNTSDTOMB-UHFFFAOYSA-N 0 1 272.254 3.589 20 0 CHADMN Cc1cc(C(C)C)nc(-c2cc(F)c(O)cc2F)n1 ZINC001206775870 1133747287 /nfs/dbraw/zinc/74/72/87/1133747287.db2.gz OYFIQHTXRQSQAJ-UHFFFAOYSA-N 0 1 264.275 3.559 20 0 CHADMN Cc1cc(CN2CCC3(CCCc4ccccc43)CC2)no1 ZINC001206815793 1133750952 /nfs/dbraw/zinc/75/09/52/1133750952.db2.gz WAZUHEQCYVLEAN-UHFFFAOYSA-N 0 1 296.414 3.853 20 0 CHADMN COc1ccc(-c2cc(CN3C[C@@H](C)CC34CC4)no2)cc1 ZINC001206828603 1133753849 /nfs/dbraw/zinc/75/38/49/1133753849.db2.gz BFWFZQLKAJFNKJ-ZDUSSCGKSA-N 0 1 298.386 3.725 20 0 CHADMN Fc1ccc(-c2cc(CN3CCC[C@@H](F)CC3)no2)cc1 ZINC001206830543 1133754038 /nfs/dbraw/zinc/75/40/38/1133754038.db2.gz AQYSLVHOCXJEDT-CYBMUJFWSA-N 0 1 292.329 3.805 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1cc(-c2ccccc2)on1 ZINC001206846331 1133755163 /nfs/dbraw/zinc/75/51/63/1133755163.db2.gz QPKNQTMUOYCEDW-UONOGXRCSA-N 0 1 270.376 3.962 20 0 CHADMN Cc1ccnc(CN2CCC[C@@H](OCc3ccccc3)C2)c1 ZINC001206853510 1133756438 /nfs/dbraw/zinc/75/64/38/1133756438.db2.gz XZKIVFRXHSLQMS-LJQANCHMSA-N 0 1 296.414 3.571 20 0 CHADMN Fc1cccnc1CN1CCC2(C=Cc3ccccc32)CC1 ZINC001207028942 1133761666 /nfs/dbraw/zinc/76/16/66/1133761666.db2.gz NATVQCQBINNWRE-UHFFFAOYSA-N 0 1 294.373 3.781 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(F)cn1 ZINC001207042764 1133762000 /nfs/dbraw/zinc/76/20/00/1133762000.db2.gz MHTVHZDYHIOJOQ-MRXNPFEDSA-N 0 1 258.340 3.804 20 0 CHADMN CCCCN(Cc1ccccc1)Cc1ccnc(CC)n1 ZINC001207086994 1133766500 /nfs/dbraw/zinc/76/65/00/1133766500.db2.gz WDPOWRXEYSOJEF-UHFFFAOYSA-N 0 1 283.419 3.841 20 0 CHADMN Fc1cccc(OC(F)F)c1CN1CCCCCC1 ZINC001207112275 1133769520 /nfs/dbraw/zinc/76/95/20/1133769520.db2.gz YJKXTGUAOORWDV-UHFFFAOYSA-N 0 1 273.298 3.803 20 0 CHADMN FC(F)c1cccc(CN2CC[C@H]3CCCO[C@H]3C2)c1 ZINC001207125108 1133769569 /nfs/dbraw/zinc/76/95/69/1133769569.db2.gz IGRJFUMSKHEZKH-HIFRSBDPSA-N 0 1 281.346 3.625 20 0 CHADMN FC(F)c1cccc(CN2CC(c3cccnc3)C2)c1 ZINC001207133195 1133770472 /nfs/dbraw/zinc/77/04/72/1133770472.db2.gz NGHYMQUGDBTEPW-UHFFFAOYSA-N 0 1 274.314 3.619 20 0 CHADMN CCCOC1CN(C[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001207189291 1133776862 /nfs/dbraw/zinc/77/68/62/1133776862.db2.gz ASOIHPUZMUXRAQ-CJNGLKHVSA-N 0 1 279.811 3.554 20 0 CHADMN C[C@H](CC1CCCCC1)CN1CCO[C@H](C(F)F)C1 ZINC001207448691 1133803154 /nfs/dbraw/zinc/80/31/54/1133803154.db2.gz LTNKQAZASAEKOY-OCCSQVGLSA-N 0 1 275.383 3.559 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2cc(F)cc(Br)c2)C1 ZINC000164944978 1133803235 /nfs/dbraw/zinc/80/32/35/1133803235.db2.gz FAVQMQPVHGOYFE-UWVGGRQHSA-N 0 1 286.188 3.819 20 0 CHADMN COc1nc(CN2Cc3ccccc3[C@H](C)C2)ccc1C ZINC001207449429 1133803452 /nfs/dbraw/zinc/80/34/52/1133803452.db2.gz ZMHPPPMSVSOLIN-CQSZACIVSA-N 0 1 282.387 3.518 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1cc(F)cc(Br)c1 ZINC000164945232 1133803511 /nfs/dbraw/zinc/80/35/11/1133803511.db2.gz FAVQMQPVHGOYFE-VHSXEESVSA-N 0 1 286.188 3.819 20 0 CHADMN O[C@H]1C[C@](NCc2coc3ccccc23)(c2ccccc2)C1 ZINC001207459547 1133804024 /nfs/dbraw/zinc/80/40/24/1133804024.db2.gz KCFUILUHDXUZCG-UWUNEBHHSA-N 0 1 293.366 3.573 20 0 CHADMN C[C@@]1(F)CCCN(CCCc2ccccc2F)C1 ZINC001207489864 1133807075 /nfs/dbraw/zinc/80/70/75/1133807075.db2.gz IAPSQCRGZHOEJP-OAHLLOKOSA-N 0 1 253.336 3.582 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCc2ccc(F)cc2)no1 ZINC001207512042 1133812482 /nfs/dbraw/zinc/81/24/82/1133812482.db2.gz ZOOVPYCQHPSUIU-INIZCTEOSA-N 0 1 274.339 3.502 20 0 CHADMN Cc1cccc(CC[N@H+](C)Cc2nc3ccccc3o2)c1 ZINC001207538605 1133817974 /nfs/dbraw/zinc/81/79/74/1133817974.db2.gz QJCYJOJFVUBERU-UHFFFAOYSA-N 0 1 280.371 3.811 20 0 CHADMN COc1ccc(CCCN2Cc3ccc(OC)cc3C2)cc1 ZINC001207582411 1133822073 /nfs/dbraw/zinc/82/20/73/1133822073.db2.gz DKSXVRZTZCXQOR-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN O=C1CCN(CCCc2cccc(F)c2)[C@@H]2CCCC[C@@H]12 ZINC001207599269 1133825463 /nfs/dbraw/zinc/82/54/63/1133825463.db2.gz DVQMETQQTYTSRQ-IAGOWNOFSA-N 0 1 289.394 3.592 20 0 CHADMN C[C@]1(F)CCN(CCCc2cccc(F)c2)C[C@H]1F ZINC001207599749 1133825793 /nfs/dbraw/zinc/82/57/93/1133825793.db2.gz VWJXTTDZOISNSW-CABCVRRESA-N 0 1 271.326 3.530 20 0 CHADMN COC(=O)c1cc(CNC(C)(C)/C=C/Cl)[nH]c1C(C)C ZINC001207594887 1133825854 /nfs/dbraw/zinc/82/58/54/1133825854.db2.gz LIVLSLMCZVSFBY-VOTSOKGWSA-N 0 1 298.814 3.545 20 0 CHADMN Clc1cccc2c1CN(C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207632453 1133833731 /nfs/dbraw/zinc/83/37/31/1133833731.db2.gz OJTAOMCBKWBSEU-OUCADQQQSA-N 0 1 259.780 3.868 20 0 CHADMN FC1(F)CSC2(CN(CC3(c4ccccc4)CC3)C2)C1 ZINC001207839718 1133853056 /nfs/dbraw/zinc/85/30/56/1133853056.db2.gz VSUOCLGDFWDRIA-UHFFFAOYSA-N 0 1 295.398 3.545 20 0 CHADMN Cc1cc(C)c2c(c1)CCN(Cc1ccc(O)c(F)c1)C2 ZINC001207861638 1133854385 /nfs/dbraw/zinc/85/43/85/1133854385.db2.gz COQIBACLIAYOKP-UHFFFAOYSA-N 0 1 285.362 3.706 20 0 CHADMN C[C@H](CN(C)CC(=O)c1ccccc1)c1ccccc1 ZINC001207911746 1133862360 /nfs/dbraw/zinc/86/23/60/1133862360.db2.gz IHXIGLGEESHDCK-OAHLLOKOSA-N 0 1 267.372 3.605 20 0 CHADMN COC(=O)CN(C)C[C@@H]1CC=C(CCC=C(C)C)CC1 ZINC001207936654 1133865569 /nfs/dbraw/zinc/86/55/69/1133865569.db2.gz BOPHWNUZAWQKNV-MRXNPFEDSA-N 0 1 279.424 3.564 20 0 CHADMN C[N@@H+](CCCC1CCCC1)Cc1cnc2ccccn12 ZINC001208087920 1133875287 /nfs/dbraw/zinc/87/52/87/1133875287.db2.gz ZAZATVSLWTZLOQ-UHFFFAOYSA-N 0 1 271.408 3.737 20 0 CHADMN Fc1cccc(F)c1CCN1CC2(C1)CCCCC2 ZINC001208117493 1133879916 /nfs/dbraw/zinc/87/99/16/1133879916.db2.gz ZTBRZKWDZWDMAC-UHFFFAOYSA-N 0 1 265.347 3.773 20 0 CHADMN CC/C=C\CCCN1CCc2cccc(C(=O)OC)c2C1 ZINC001208137646 1133885228 /nfs/dbraw/zinc/88/52/28/1133885228.db2.gz IINZYQAXUUDGAE-PLNGDYQASA-N 0 1 287.403 3.578 20 0 CHADMN CS[C@H](C)CCN1CCN(c2ccccc2Cl)CC1 ZINC001208146919 1133887355 /nfs/dbraw/zinc/88/73/55/1133887355.db2.gz JYQHNNIXCRETJI-CYBMUJFWSA-N 0 1 298.883 3.604 20 0 CHADMN CS[C@@H](C)CCN(CC(=O)c1ccccc1)C(C)C ZINC001208155550 1133889033 /nfs/dbraw/zinc/88/90/33/1133889033.db2.gz ROQJEMZSMMZXJC-AWEZNQCLSA-N 0 1 279.449 3.721 20 0 CHADMN Cc1ccc([C@H](C)CCN2CC[C@](C)(F)[C@@H](F)C2)o1 ZINC001208162463 1133893303 /nfs/dbraw/zinc/89/33/03/1133893303.db2.gz QWAUEXAMBMFGAD-UGFHNGPFSA-N 0 1 271.351 3.854 20 0 CHADMN CC(C)(CCN1Cc2ccncc2C1)c1ccccc1 ZINC001208668617 1133925186 /nfs/dbraw/zinc/92/51/86/1133925186.db2.gz XOFGTXQJUDTLGM-UHFFFAOYSA-N 0 1 266.388 3.765 20 0 CHADMN CCC[C@@H](C(=O)c1ccccc1)N(C)CCC1CC1 ZINC001208686501 1133926996 /nfs/dbraw/zinc/92/69/96/1133926996.db2.gz LWPYQXCXRIJKBF-INIZCTEOSA-N 0 1 259.393 3.770 20 0 CHADMN CC(C)CCC[N@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001208736144 1133937080 /nfs/dbraw/zinc/93/70/80/1133937080.db2.gz CVTOSJFRKLKSDT-UHFFFAOYSA-N 0 1 283.419 3.667 20 0 CHADMN Fc1ccc(CCCN2CCCC(F)(F)[C@H](F)C2)cc1 ZINC001208767819 1133940411 /nfs/dbraw/zinc/94/04/11/1133940411.db2.gz LZWNINYITSWUEL-CQSZACIVSA-N 0 1 289.316 3.828 20 0 CHADMN O=C1CCN(CC2(c3ccccc3)CCCC2)CC[C@@H]1F ZINC001208772155 1133942470 /nfs/dbraw/zinc/94/24/70/1133942470.db2.gz RNLFVEPQBCHOLI-INIZCTEOSA-N 0 1 289.394 3.501 20 0 CHADMN CC(C)Oc1ncccc1CCN1CCCC[C@](C)(F)C1 ZINC001208788567 1133946354 /nfs/dbraw/zinc/94/63/54/1133946354.db2.gz CYLOWSXORJAKHP-KRWDZBQOSA-N 0 1 294.414 3.625 20 0 CHADMN CC(C)[C@H]1COCCN1CCCc1ccccc1Cl ZINC001208872140 1133956461 /nfs/dbraw/zinc/95/64/61/1133956461.db2.gz ULHPEYUIIWIGNR-MRXNPFEDSA-N 0 1 281.827 3.629 20 0 CHADMN c1ccc(CN(Cc2ccncc2)C[C@@H]2CCC=CO2)cc1 ZINC001208873230 1133956879 /nfs/dbraw/zinc/95/68/79/1133956879.db2.gz DMKHCJITEHUIBS-IBGZPJMESA-N 0 1 294.398 3.777 20 0 CHADMN Clc1ccccc1CCCN1CC(c2cccnc2)C1 ZINC001208875247 1133957184 /nfs/dbraw/zinc/95/71/84/1133957184.db2.gz VRRVFDJIYKECSI-UHFFFAOYSA-N 0 1 286.806 3.767 20 0 CHADMN FC[C@H]1[C@@H]2CN(CCc3c(Cl)cccc3Cl)C[C@H]12 ZINC001209108429 1133976241 /nfs/dbraw/zinc/97/62/41/1133976241.db2.gz JRHUKKMLCYXMSU-CNDDSTCGSA-N 0 1 288.193 3.683 20 0 CHADMN CC(=O)[C@H]1CCCCN1CCc1cccc(C(F)(F)F)c1 ZINC001209119139 1133977365 /nfs/dbraw/zinc/97/73/65/1133977365.db2.gz OGURWTMRHGLNHC-OAHLLOKOSA-N 0 1 299.336 3.691 20 0 CHADMN C[C@H]1CN(CCc2cccc(C(F)(F)F)c2)CCCC1=O ZINC001209122569 1133978978 /nfs/dbraw/zinc/97/89/78/1133978978.db2.gz RGTOKLBGAIURTH-LBPRGKRZSA-N 0 1 299.336 3.549 20 0 CHADMN CC(=O)[C@H]1CCCCN1CCc1ccc(C(F)(F)F)cc1 ZINC001209126412 1133979564 /nfs/dbraw/zinc/97/95/64/1133979564.db2.gz WZCQTYHAHDBTDU-OAHLLOKOSA-N 0 1 299.336 3.691 20 0 CHADMN COc1ccccc1C[N@@H+](C)CCc1cc(F)cc(F)c1 ZINC001209135741 1133981001 /nfs/dbraw/zinc/98/10/01/1133981001.db2.gz KXTBWSHWMBJBGZ-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN C[C@@H]1CC(CN2CCc3c4ccccc4oc3C2)C[C@@H](C)O1 ZINC001209398308 1134010456 /nfs/dbraw/zinc/01/04/56/1134010456.db2.gz NLBCHMFGOHQMBB-ZIAGYGMSSA-N 0 1 299.414 3.995 20 0 CHADMN C[C@H]1CCCN(Cc2cnc(Cl)s2)C[C@H]1C ZINC001209460967 1134023781 /nfs/dbraw/zinc/02/37/81/1134023781.db2.gz GYNLQWWOOSBGGC-VHSXEESVSA-N 0 1 258.818 3.665 20 0 CHADMN Cc1cccc2c(CN3CCC(=O)[C@@H]4CCCC[C@H]43)c[nH]c21 ZINC001209482370 1134026149 /nfs/dbraw/zinc/02/61/49/1134026149.db2.gz LFFXOIUIWNASSD-IAGOWNOFSA-N 0 1 296.414 3.810 20 0 CHADMN Cc1ccc2[nH]cc(CN3CCC(=O)[C@H]4CCCC[C@H]43)c2c1 ZINC001209489541 1134027743 /nfs/dbraw/zinc/02/77/43/1134027743.db2.gz JJFIOGUSSIDOSY-MAUKXSAKSA-N 0 1 296.414 3.810 20 0 CHADMN Cc1cccc2c(CN3CC4(C3)C[C@H](F)CS4)c[nH]c21 ZINC001209492208 1134027911 /nfs/dbraw/zinc/02/79/11/1134027911.db2.gz DLMPKRKNUZJAOI-ZDUSSCGKSA-N 0 1 290.407 3.506 20 0 CHADMN Clc1ccccc1[C@H]1CCN(Cc2cncs2)C1 ZINC001209550151 1134036551 /nfs/dbraw/zinc/03/65/51/1134036551.db2.gz NQKXPAPTQPNDHD-NSHDSACASA-N 0 1 278.808 3.786 20 0 CHADMN Clc1cnc2[nH]cc(CN3CC4(C3)CCCCC4)c2c1 ZINC001209600872 1134041228 /nfs/dbraw/zinc/04/12/28/1134041228.db2.gz SCSGWWVXSLKEPW-UHFFFAOYSA-N 0 1 289.810 3.982 20 0 CHADMN Cc1ccccc1CN(C)Cc1cnc(Cl)cc1C ZINC001209632701 1134044302 /nfs/dbraw/zinc/04/43/02/1134044302.db2.gz ATCHPMBBZQDBSU-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1cc(Cl)ncc1CN1CC[C@@H](C)C[C@H]1C ZINC001209636660 1134044683 /nfs/dbraw/zinc/04/46/83/1134044683.db2.gz ZHYYPFLLRAXIME-ZYHUDNBSSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1cc(Cl)ncc1CN1CCC(C(C)C)CC1 ZINC001209636141 1134045095 /nfs/dbraw/zinc/04/50/95/1134045095.db2.gz QJWKQQCNMSSNOH-UHFFFAOYSA-N 0 1 266.816 3.911 20 0 CHADMN FC[C@H]1CCCN1Cc1cccc2[nH]cc(Cl)c21 ZINC001209662027 1134047849 /nfs/dbraw/zinc/04/78/49/1134047849.db2.gz ZIOOZWBJGLCMLD-LLVKDONJSA-N 0 1 266.747 3.755 20 0 CHADMN Clc1ccc2[nH]c(CN3CCC[C@H]4C[C@H]43)cc2c1 ZINC001209727141 1134056003 /nfs/dbraw/zinc/05/60/03/1134056003.db2.gz WVBJLOJPJSRFQU-ZUZCIYMTSA-N 0 1 260.768 3.806 20 0 CHADMN C[C@H]1CCCCN1Cc1n[nH]c2ccc(Cl)cc21 ZINC001209750582 1134059651 /nfs/dbraw/zinc/05/96/51/1134059651.db2.gz JLEHPVBXYFKFAX-JTQLQIEISA-N 0 1 263.772 3.591 20 0 CHADMN C[C@H]1CCCCN1Cc1[nH]nc2ccc(Cl)cc21 ZINC001209750582 1134059659 /nfs/dbraw/zinc/05/96/59/1134059659.db2.gz JLEHPVBXYFKFAX-JTQLQIEISA-N 0 1 263.772 3.591 20 0 CHADMN CCOc1ccc(Nc2c(C)ncn2C)c(Cl)c1 ZINC001209893000 1134096643 /nfs/dbraw/zinc/09/66/43/1134096643.db2.gz HZXWTYIFASALKO-UHFFFAOYSA-N 0 1 265.744 3.524 20 0 CHADMN Fc1cc(Nc2ccc3nc[nH]c3c2)c(Cl)c(F)n1 ZINC001209843578 1134078319 /nfs/dbraw/zinc/07/83/19/1134078319.db2.gz FMAKXGNCHMGHOR-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN FC(F)(F)c1cccnc1Nc1ccc2nc[nH]c2c1 ZINC001209842323 1134079296 /nfs/dbraw/zinc/07/92/96/1134079296.db2.gz HQBSRDVZZIRIEL-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN Cc1cc(Nc2ccc3nc[nH]c3c2)cnc1Cl ZINC001209842565 1134079361 /nfs/dbraw/zinc/07/93/61/1134079361.db2.gz MUEUMPWSEVUULC-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN CC1(C)c2ccc(Nc3ccc4nc[nH]c4c3)cc2NC1=O ZINC001209847405 1134080577 /nfs/dbraw/zinc/08/05/77/1134080577.db2.gz AOROWKIFGJQSCY-UHFFFAOYSA-N 0 1 292.342 3.536 20 0 CHADMN FC(F)Oc1ccccc1Nc1ccc2nc[nH]c2c1 ZINC001209847947 1134080986 /nfs/dbraw/zinc/08/09/86/1134080986.db2.gz XQZCVZZPIKKEJW-UHFFFAOYSA-N 0 1 275.258 3.908 20 0 CHADMN c1nc2ccc(Nc3ccc(-c4cnco4)cc3)cc2[nH]1 ZINC001209847913 1134081366 /nfs/dbraw/zinc/08/13/66/1134081366.db2.gz XHCXWCKGSNTWSI-UHFFFAOYSA-N 0 1 276.299 3.962 20 0 CHADMN c1cn(Cc2ccc(Nc3ccc4nc[nH]c4c3)cc2)cn1 ZINC001209847073 1134081583 /nfs/dbraw/zinc/08/15/83/1134081583.db2.gz NRQWUXOLHKRVRQ-UHFFFAOYSA-N 0 1 289.342 3.551 20 0 CHADMN Cc1nc2c(cccc2Nc2ccc3nc[nH]c3c2)o1 ZINC001209846528 1134081593 /nfs/dbraw/zinc/08/15/93/1134081593.db2.gz DMSWEVAALIAYNG-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN FC(F)(F)Oc1cc(Nc2ccc3nc[nH]c3c2)ccn1 ZINC001209848403 1134083057 /nfs/dbraw/zinc/08/30/57/1134083057.db2.gz NECJRLCXSAARTI-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN Cc1ccc(Nc2ccc3nc[nH]c3c2)c(Cl)c1O ZINC001209848644 1134083173 /nfs/dbraw/zinc/08/31/73/1134083173.db2.gz ONHSCILDDASXLS-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN FC(F)(F)Oc1cncc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209848717 1134083278 /nfs/dbraw/zinc/08/32/78/1134083278.db2.gz PGZHMIKVANFMCB-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN FC(F)Oc1ccc(Nc2ccc3nc[nH]c3c2)cc1 ZINC001209849061 1134083486 /nfs/dbraw/zinc/08/34/86/1134083486.db2.gz USMPOUTWUXBNOW-UHFFFAOYSA-N 0 1 275.258 3.908 20 0 CHADMN COC(=O)c1cc(Nc2ccc3nc[nH]c3c2)c(C)cc1C ZINC001209850505 1134084933 /nfs/dbraw/zinc/08/49/33/1134084933.db2.gz BFKOZIQVEYVDHV-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Nc1cc(Cl)cc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209850735 1134085198 /nfs/dbraw/zinc/08/51/98/1134085198.db2.gz MIJZEHAWPZZZOJ-UHFFFAOYSA-N 0 1 258.712 3.542 20 0 CHADMN COc1ccc2ccc(Nc3ccc4nc[nH]c4c3)cc2n1 ZINC001209850805 1134085219 /nfs/dbraw/zinc/08/52/19/1134085219.db2.gz NRFIAJSOULVOLS-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN C=Cc1cccc(Nc2ccnn2-c2ccncc2)c1 ZINC001209917446 1134100979 /nfs/dbraw/zinc/10/09/79/1134100979.db2.gz GCFJANRZQXLVGS-UHFFFAOYSA-N 0 1 262.316 3.654 20 0 CHADMN CCC[C@H](C)c1cc(Nc2cnc(N)cc2C)on1 ZINC001209961243 1134110218 /nfs/dbraw/zinc/11/02/18/1134110218.db2.gz FBXAFHLRKXQQMZ-VIFPVBQESA-N 0 1 260.341 3.607 20 0 CHADMN Cc1nc2ccc(Nc3cnc(N)cc3C)cc2s1 ZINC001209965450 1134111162 /nfs/dbraw/zinc/11/11/62/1134111162.db2.gz CDIUYNYZJNEYEA-UHFFFAOYSA-N 0 1 270.361 3.634 20 0 CHADMN CCCc1nc2ccc(Nc3cnc(N)cc3C)cc2o1 ZINC001209967775 1134111279 /nfs/dbraw/zinc/11/12/79/1134111279.db2.gz RTPMIEYDQAFFGL-UHFFFAOYSA-N 0 1 282.347 3.810 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(C(F)(F)F)cc1F ZINC001209967354 1134111291 /nfs/dbraw/zinc/11/12/91/1134111291.db2.gz NRIWWHGVXSCZER-UHFFFAOYSA-N 0 1 285.244 3.874 20 0 CHADMN Cc1cc(N)ncc1Nc1c(C)cc(Cl)nc1Cl ZINC001209966675 1134111417 /nfs/dbraw/zinc/11/14/17/1134111417.db2.gz CMMUZLYBFKQANF-UHFFFAOYSA-N 0 1 283.162 3.726 20 0 CHADMN Cc1cc(N)ncc1Nc1ccccc1C(F)(F)F ZINC001209966089 1134111694 /nfs/dbraw/zinc/11/16/94/1134111694.db2.gz SCVJMNDBVVNOIF-UHFFFAOYSA-N 0 1 267.254 3.735 20 0 CHADMN Cc1cc(N)ncc1Nc1ccccc1-c1ccccc1N ZINC001209968705 1134111777 /nfs/dbraw/zinc/11/17/77/1134111777.db2.gz AWPZMUQGAQWPFP-UHFFFAOYSA-N 0 1 290.370 3.965 20 0 CHADMN Cc1cc(Nc2cnc(N)cc2C)ccc1Br ZINC001209968752 1134112348 /nfs/dbraw/zinc/11/23/48/1134112348.db2.gz BMGFOXRHVOKRJY-UHFFFAOYSA-N 0 1 292.180 3.787 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(-c2nccs2)cc1 ZINC001209969101 1134112502 /nfs/dbraw/zinc/11/25/02/1134112502.db2.gz FKMGWNJCPAYSGP-UHFFFAOYSA-N 0 1 282.372 3.839 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc(-c2ccccn2)c1 ZINC001209969261 1134112777 /nfs/dbraw/zinc/11/27/77/1134112777.db2.gz JUKHNUQCOKHNQW-UHFFFAOYSA-N 0 1 276.343 3.778 20 0 CHADMN COc1cccc2c(Nc3cnc(N)cc3C)cccc12 ZINC001209973385 1134113403 /nfs/dbraw/zinc/11/34/03/1134113403.db2.gz XXQFCJIHOKSDLE-UHFFFAOYSA-N 0 1 279.343 3.878 20 0 CHADMN FC(F)(F)c1nccnc1N=C1CCC(F)(F)CC1 ZINC001210030608 1134127379 /nfs/dbraw/zinc/12/73/79/1134127379.db2.gz FQWTXLUOUBEIBF-UHFFFAOYSA-N 0 1 279.212 3.610 20 0 CHADMN FC(F)(F)c1ccnnc1N=C1CCC(F)(F)CC1 ZINC001210032982 1134128315 /nfs/dbraw/zinc/12/83/15/1134128315.db2.gz ZEPRETOHUXHJEX-UHFFFAOYSA-N 0 1 279.212 3.610 20 0 CHADMN Cc1cccc2ncc(Nc3ccc4cccnc4c3)n21 ZINC001210055577 1134138193 /nfs/dbraw/zinc/13/81/93/1134138193.db2.gz KSUJUKSZRWIIHK-UHFFFAOYSA-N 0 1 274.327 3.935 20 0 CHADMN CC[NH+](CC)c1ccc(Nc2cccc(CC(=O)[O-])c2)cc1 ZINC001210071817 1134140538 /nfs/dbraw/zinc/14/05/38/1134140538.db2.gz GMHDCLYTIBWBMZ-UHFFFAOYSA-N 0 1 298.386 3.904 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1c[nH]c2cc(=O)ccc-2c1 ZINC001210101013 1134145736 /nfs/dbraw/zinc/14/57/36/1134145736.db2.gz ASEAPUMBPXJNGR-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(Cl)nc1C ZINC001210100684 1134145776 /nfs/dbraw/zinc/14/57/76/1134145776.db2.gz YOFPZILGLWEXMX-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc([C@H](C)O)cc1 ZINC001210101881 1134146887 /nfs/dbraw/zinc/14/68/87/1134146887.db2.gz IEXKMCJGGVJMOI-NSHDSACASA-N 0 1 267.332 3.668 20 0 CHADMN CC(=O)c1sccc1Nc1cc2cn[nH]c2cc1C ZINC001210102701 1134147356 /nfs/dbraw/zinc/14/73/56/1134147356.db2.gz RAEFKTLWIYAFPH-UHFFFAOYSA-N 0 1 271.345 3.879 20 0 CHADMN COC(=O)c1ccc(Nc2cc3cn[nH]c3cc2C)cc1F ZINC001210105163 1134147900 /nfs/dbraw/zinc/14/79/00/1134147900.db2.gz NYCOPTOQVQDXHU-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN CC(=O)c1cc(F)ccc1Nc1cc2cn[nH]c2cc1C ZINC001210104657 1134147975 /nfs/dbraw/zinc/14/79/75/1134147975.db2.gz AEEXGUBCYYKUPC-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN COC(=O)c1ccc(F)cc1Nc1cc2cn[nH]c2cc1C ZINC001210105133 1134148418 /nfs/dbraw/zinc/14/84/18/1134148418.db2.gz MLVDBLNIDSHXCU-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2oncc2c1 ZINC001210105087 1134148446 /nfs/dbraw/zinc/14/84/46/1134148446.db2.gz KKZCHNDUVFYCIN-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN CCc1cccc(O)c1Nc1cc2cn[nH]c2cc1C ZINC001210105439 1134148802 /nfs/dbraw/zinc/14/88/02/1134148802.db2.gz BBYKALPJNOAUIC-UHFFFAOYSA-N 0 1 267.332 3.883 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2c(c1)[C@@H](O)CC2 ZINC001210106907 1134149264 /nfs/dbraw/zinc/14/92/64/1134149264.db2.gz VSXPVSSRXIGEAZ-KRWDZBQOSA-N 0 1 279.343 3.595 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccc(F)c(F)c1C ZINC001210128931 1134153470 /nfs/dbraw/zinc/15/34/70/1134153470.db2.gz CPLIERPHECXVFF-UHFFFAOYSA-N 0 1 273.286 3.503 20 0 CHADMN CC1(C)CC=C(Nc2ccc(S(C)(=O)=O)cc2F)CC1 ZINC001210166233 1134159332 /nfs/dbraw/zinc/15/93/32/1134159332.db2.gz PHGBTARKTBGCJK-UHFFFAOYSA-N 0 1 297.395 3.735 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cccc([C@H](C)O)c1 ZINC001210509312 1134235168 /nfs/dbraw/zinc/23/51/68/1134235168.db2.gz VGQKWYSPFNPJLQ-NSHDSACASA-N 0 1 285.322 3.579 20 0 CHADMN Cc1cc(Nc2cc(Cl)c([O-])c(Cl)c2)cc[nH+]1 ZINC001210923028 1134327436 /nfs/dbraw/zinc/32/74/36/1134327436.db2.gz IYUFZKQPJSPOLC-UHFFFAOYSA-N 0 1 269.131 3.568 20 0 CHADMN OCCc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC001210927834 1134329549 /nfs/dbraw/zinc/32/95/49/1134329549.db2.gz QKDLLYCEFUKESN-UHFFFAOYSA-N 0 1 298.169 3.977 20 0 CHADMN CC(=Nc1ccc(OC2CCOCC2)nc1)c1ccccc1 ZINC001210983526 1134342137 /nfs/dbraw/zinc/34/21/37/1134342137.db2.gz XSTFFSQSYDBNJV-UHFFFAOYSA-N 0 1 296.370 3.722 20 0 CHADMN C=C(Nc1cc(CO)ccc1Cl)c1ccccc1 ZINC001210990247 1134343702 /nfs/dbraw/zinc/34/37/02/1134343702.db2.gz FFTFOYXPZYYLJY-UHFFFAOYSA-N 0 1 259.736 3.915 20 0 CHADMN C=C(Nc1cccc(N2CCN(C)CC2)c1)c1ccccc1 ZINC001210987505 1134343966 /nfs/dbraw/zinc/34/39/66/1134343966.db2.gz MVAPWLAPKZRBTG-UHFFFAOYSA-N 0 1 293.414 3.521 20 0 CHADMN C=C(Nc1c(F)cccc1N1CCOCC1)c1ccccc1 ZINC001210990938 1134345527 /nfs/dbraw/zinc/34/55/27/1134345527.db2.gz NVONXFPIZHPANS-UHFFFAOYSA-N 0 1 298.361 3.745 20 0 CHADMN Cc1ccc2ccccc2c1Nc1ccnc(CO)c1 ZINC001211117688 1134373336 /nfs/dbraw/zinc/37/33/36/1134373336.db2.gz DBRBCICKGNDLIN-UHFFFAOYSA-N 0 1 264.328 3.779 20 0 CHADMN Cc1c(-c2ccccc2)nsc1Nc1cncn1C ZINC001211247032 1134398112 /nfs/dbraw/zinc/39/81/12/1134398112.db2.gz FJIIIJCYMLBYIB-UHFFFAOYSA-N 0 1 270.361 3.596 20 0 CHADMN Cn1cncc1Nc1cc(-c2ccccc2)nn1C1CCC1 ZINC001211247046 1134398325 /nfs/dbraw/zinc/39/83/25/1134398325.db2.gz GBYWAGYXJDRHAD-UHFFFAOYSA-N 0 1 293.374 3.752 20 0 CHADMN Cn1cncc1Nc1ccc(SC(F)(F)F)cc1 ZINC001211248861 1134398663 /nfs/dbraw/zinc/39/86/63/1134398663.db2.gz HDTWRTWOKISPQR-UHFFFAOYSA-N 0 1 273.283 3.776 20 0 CHADMN Cn1cncc1Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001211249155 1134398750 /nfs/dbraw/zinc/39/87/50/1134398750.db2.gz YWMTVHINKYPCBK-UHFFFAOYSA-N 0 1 291.660 3.716 20 0 CHADMN Cn1cncc1Nc1c(Cl)cccc1C(F)(F)F ZINC001211250798 1134400146 /nfs/dbraw/zinc/40/01/46/1134400146.db2.gz QYJQUGYXHCBFQW-UHFFFAOYSA-N 0 1 275.661 3.836 20 0 CHADMN COc1cnccc1Nc1ccc(-c2ccc(C)cc2)nc1 ZINC001211259349 1134400197 /nfs/dbraw/zinc/40/01/97/1134400197.db2.gz ACFPETHGYFXLRQ-UHFFFAOYSA-N 0 1 291.354 3.626 20 0 CHADMN COc1cnccc1Nc1cc(C)cc(C(F)(F)F)c1 ZINC001211262905 1134400477 /nfs/dbraw/zinc/40/04/77/1134400477.db2.gz AJRTUHILDSHJPD-UHFFFAOYSA-N 0 1 282.265 3.583 20 0 CHADMN Cn1cncc1Nc1cc(Oc2ccccc2)ccc1N ZINC001211250776 1134400514 /nfs/dbraw/zinc/40/05/14/1134400514.db2.gz PXUZSEUHWASKEM-UHFFFAOYSA-N 0 1 280.331 3.538 20 0 CHADMN Cc1ccc(OC(C)C)c(-n2c(N)nc3ccccc32)c1 ZINC001211279833 1134402218 /nfs/dbraw/zinc/40/22/18/1134402218.db2.gz MAKSXSJROCCPMY-UHFFFAOYSA-N 0 1 281.359 3.703 20 0 CHADMN [O-]c1cc(F)c(-c2ccccc2C[NH+]2CCCC2)cc1F ZINC001211338387 1134410675 /nfs/dbraw/zinc/41/06/75/1134410675.db2.gz CYWCFMOTMBEELR-UHFFFAOYSA-N 0 1 289.325 3.933 20 0 CHADMN CCOC(=O)c1c(F)cccc1-c1cc(F)c(O)cc1F ZINC001211352051 1134411097 /nfs/dbraw/zinc/41/10/97/1134411097.db2.gz HHJBADCFNJBNBE-UHFFFAOYSA-N 0 1 296.244 3.653 20 0 CHADMN CCCOc1ccccc1Nc1ccnn1-c1ccncc1 ZINC001211380913 1134413754 /nfs/dbraw/zinc/41/37/54/1134413754.db2.gz JDGUJHOALCZKAD-UHFFFAOYSA-N 0 1 294.358 3.800 20 0 CHADMN Cc1nc2cc(Nc3cccc4[nH]c(=O)ccc34)ccc2[nH]1 ZINC001213075071 1134420824 /nfs/dbraw/zinc/42/08/24/1134420824.db2.gz BPMRGUWMBMOALR-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1nc2cc(Nc3cc(C)ccc3O)ccc2[nH]1 ZINC001213074188 1134420903 /nfs/dbraw/zinc/42/09/03/1134420903.db2.gz IEKPEZBONHMSPP-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1nc2cc(Nc3cc(C)c(O)cc3C)ccc2[nH]1 ZINC001213073182 1134421065 /nfs/dbraw/zinc/42/10/65/1134421065.db2.gz IKARKEHYYSIALR-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN COc1ccc(Nc2ccc3[nH]c(C)nc3c2)cc1 ZINC001213073843 1134421481 /nfs/dbraw/zinc/42/14/81/1134421481.db2.gz XQMZCBRJRVLOAL-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN CC(=O)c1cc(Nc2ccc3[nH]c(C)nc3c2)ccc1F ZINC001213075282 1134423752 /nfs/dbraw/zinc/42/37/52/1134423752.db2.gz MWNNTYBWWWDWEC-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN Cc1cc(Nc2ccnc(CO)c2)cc(C)c1OC(C)C ZINC001213692408 1134478051 /nfs/dbraw/zinc/47/80/51/1134478051.db2.gz JAUFBVRQAWIQHQ-UHFFFAOYSA-N 0 1 286.375 3.722 20 0 CHADMN Cc1ncn(C)c1Nc1c(Cl)cc(F)cc1Cl ZINC001214475228 1134542429 /nfs/dbraw/zinc/54/24/29/1134542429.db2.gz OAZZJTMYWXVEOF-UHFFFAOYSA-N 0 1 274.126 3.918 20 0 CHADMN CCOc1cccc(CN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000179619031 1134553214 /nfs/dbraw/zinc/55/32/14/1134553214.db2.gz SNVHANORUILESS-CYBMUJFWSA-N 0 1 287.325 3.860 20 0 CHADMN CCOc1ccc(Nc2ccc(Cl)c(O)c2F)cn1 ZINC001214793364 1134573258 /nfs/dbraw/zinc/57/32/58/1134573258.db2.gz ARUGNOJDQUKOQX-UHFFFAOYSA-N 0 1 282.702 3.722 20 0 CHADMN Cc1cc(F)ncc1Nc1ccc(Cl)c(O)c1F ZINC001214794080 1134573792 /nfs/dbraw/zinc/57/37/92/1134573792.db2.gz XYKNCWUCZGRWCC-UHFFFAOYSA-N 0 1 270.666 3.771 20 0 CHADMN Cc1ccc(Nc2ccc(Cl)c(O)c2F)cn1 ZINC001214791312 1134573871 /nfs/dbraw/zinc/57/38/71/1134573871.db2.gz QESGZCGRANEEFO-UHFFFAOYSA-N 0 1 252.676 3.632 20 0 CHADMN Oc1c(Cl)ccc(Nc2cnc3ccccc3n2)c1F ZINC001214796018 1134573901 /nfs/dbraw/zinc/57/39/01/1134573901.db2.gz FEGKCRVXSQRGOM-UHFFFAOYSA-N 0 1 289.697 3.872 20 0 CHADMN C[C@H](O)c1cccc(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214799082 1134575130 /nfs/dbraw/zinc/57/51/30/1134575130.db2.gz KTXFCUGKWJDISI-QMMMGPOBSA-N 0 1 281.714 3.982 20 0 CHADMN Cc1cc(O)cc(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214803902 1134575387 /nfs/dbraw/zinc/57/53/87/1134575387.db2.gz KAZIHHBBJBLTLD-UHFFFAOYSA-N 0 1 267.687 3.942 20 0 CHADMN OCc1ccc(Nc2ccc(Cl)c(O)c2F)c(F)c1 ZINC001214801249 1134575446 /nfs/dbraw/zinc/57/54/46/1134575446.db2.gz GLQRSZMHZRNLNU-UHFFFAOYSA-N 0 1 285.677 3.560 20 0 CHADMN Cn1cnc2cccc(Nc3ccc(Cl)c(O)c3F)c21 ZINC001214803646 1134575687 /nfs/dbraw/zinc/57/56/87/1134575687.db2.gz AVDUOAJFJOGPRS-UHFFFAOYSA-N 0 1 291.713 3.815 20 0 CHADMN Oc1c(Cl)ccc(Nc2cccc3nsnc32)c1F ZINC001214798419 1134575751 /nfs/dbraw/zinc/57/57/51/1134575751.db2.gz QGVDPGCSFKSBJW-UHFFFAOYSA-N 0 1 295.726 3.933 20 0 CHADMN OCc1ccc(Nc2ccc(Cl)c(O)c2F)cc1F ZINC001214809460 1134576987 /nfs/dbraw/zinc/57/69/87/1134576987.db2.gz UDECOMOMMUAXJH-UHFFFAOYSA-N 0 1 285.677 3.560 20 0 CHADMN Cc1cc(OC(C)C)ccc1N[C@H]1CCCc2[nH]ncc21 ZINC000401578256 1134616645 /nfs/dbraw/zinc/61/66/45/1134616645.db2.gz CCCHKWSJNWFVCP-INIZCTEOSA-N 0 1 285.391 3.995 20 0 CHADMN Cc1ccc(Cl)c(N[C@H]2CCCc3[nH]ncc32)c1 ZINC000401604498 1134617503 /nfs/dbraw/zinc/61/75/03/1134617503.db2.gz HHKPTXWDJZQPGG-LBPRGKRZSA-N 0 1 261.756 3.861 20 0 CHADMN COC(=O)c1oc([C@H](C)N[C@H](C)c2cccs2)cc1C ZINC000182558948 1134619238 /nfs/dbraw/zinc/61/92/38/1134619238.db2.gz NXZVJNHZARFOFP-WDEREUQCSA-N 0 1 293.388 3.848 20 0 CHADMN CC(C)c1ccc(Nc2cc3[nH]ncc3c(F)c2)cn1 ZINC001215553758 1134639641 /nfs/dbraw/zinc/63/96/41/1134639641.db2.gz GCGPNGPCXKUUBO-UHFFFAOYSA-N 0 1 270.311 3.964 20 0 CHADMN Fc1cc(Nc2ccc(C3CC3)nc2)cc2[nH]ncc21 ZINC001215554163 1134639702 /nfs/dbraw/zinc/63/97/02/1134639702.db2.gz XNNKULQDKDMVLL-UHFFFAOYSA-N 0 1 268.295 3.718 20 0 CHADMN CC(C)(C)c1nnc(Nc2cc3[nH]ncc3c(F)c2)s1 ZINC001215552401 1134640080 /nfs/dbraw/zinc/64/00/80/1134640080.db2.gz KNYYLADXCXQUEB-UHFFFAOYSA-N 0 1 291.355 3.595 20 0 CHADMN Fc1cc(Nc2cc(C3CCC3)no2)cc2n[nH]cc21 ZINC001215552907 1134640093 /nfs/dbraw/zinc/64/00/93/1134640093.db2.gz ISHWGAYHSHSNLQ-UHFFFAOYSA-N 0 1 272.283 3.701 20 0 CHADMN Fc1ccc(F)c(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215554871 1134640380 /nfs/dbraw/zinc/64/03/80/1134640380.db2.gz KZBDRNZDEDSZLH-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN COc1ccc(Nc2cc3[nH]ncc3c(F)c2)c(C)c1 ZINC001215555410 1134640510 /nfs/dbraw/zinc/64/05/10/1134640510.db2.gz WETVKQADJFXYJY-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Oc1c(Cl)cccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555058 1134640616 /nfs/dbraw/zinc/64/06/16/1134640616.db2.gz AMWHXLPFMXUPJP-UHFFFAOYSA-N 0 1 277.686 3.805 20 0 CHADMN Fc1ccc(Nc2cc3[nH]ncc3c(F)c2)c(F)c1 ZINC001215555492 1134641278 /nfs/dbraw/zinc/64/12/78/1134641278.db2.gz YSZFUNFPVLTXBS-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN CN(C)c1ccc(Nc2cc3[nH]ncc3c(F)c2)cc1 ZINC001215555414 1134641445 /nfs/dbraw/zinc/64/14/45/1134641445.db2.gz WEZGVMUKOOTGRZ-UHFFFAOYSA-N 0 1 270.311 3.512 20 0 CHADMN CCc1ccc(N)c(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215558861 1134642112 /nfs/dbraw/zinc/64/21/12/1134642112.db2.gz FCPXLOFMGLEFLX-UHFFFAOYSA-N 0 1 270.311 3.590 20 0 CHADMN Nc1cc(Cl)cc(F)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215558282 1134642122 /nfs/dbraw/zinc/64/21/22/1134642122.db2.gz NRGJYRWPCSWYKX-UHFFFAOYSA-N 0 1 294.692 3.820 20 0 CHADMN O=c1ccc2cc(Nc3cc4[nH]ncc4c(F)c3)ccc2o1 ZINC001215557824 1134642212 /nfs/dbraw/zinc/64/22/12/1134642212.db2.gz ACEALQMBSSCWRB-UHFFFAOYSA-N 0 1 295.273 3.552 20 0 CHADMN Cc1ccc(OC(C)C)cc1Nc1cc(=O)[nH]c(Cl)n1 ZINC001215583348 1134647757 /nfs/dbraw/zinc/64/77/57/1134647757.db2.gz NJKYFKIPZRIWLY-UHFFFAOYSA-N 0 1 293.754 3.675 20 0 CHADMN Cc1ccc(Nc2nc(C(C)(C)C)ns2)c2cn[nH]c21 ZINC001215754634 1134673463 /nfs/dbraw/zinc/67/34/63/1134673463.db2.gz ZWDZLYXRRGYETM-UHFFFAOYSA-N 0 1 287.392 3.764 20 0 CHADMN Cc1ccc(Nc2nc3c(cccc3O)s2)c2cn[nH]c21 ZINC001215754137 1134673870 /nfs/dbraw/zinc/67/38/70/1134673870.db2.gz LPCZKEXGULOFOP-UHFFFAOYSA-N 0 1 296.355 3.930 20 0 CHADMN COc1cc(Nc2ccc(C)c3[nH]ncc32)cc(Cl)n1 ZINC001215756447 1134674411 /nfs/dbraw/zinc/67/44/11/1134674411.db2.gz QOUMYSVHMWBVAF-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1ccc(Nc2snc3cccnc32)c2cn[nH]c21 ZINC001215757024 1134674568 /nfs/dbraw/zinc/67/45/68/1134674568.db2.gz IWUDBVCOPQMBGJ-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1ccc(Nc2cccnc2C2CC2)c2cn[nH]c21 ZINC001215756185 1134674647 /nfs/dbraw/zinc/67/46/47/1134674647.db2.gz MIDJGIZGMXOJAY-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1ccc(Nc2ccnn2-c2ccccc2)c2cn[nH]c21 ZINC001215755303 1134674706 /nfs/dbraw/zinc/67/47/06/1134674706.db2.gz OGBNXEOROORGDZ-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1ccc(Nc2nc(Cl)cnc2Cl)c2cn[nH]c21 ZINC001215756731 1134674824 /nfs/dbraw/zinc/67/48/24/1134674824.db2.gz XALIOXKXHQPQKA-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1cn2cccc(Nc3ccc(C)c4[nH]ncc43)c2n1 ZINC001215755235 1134674904 /nfs/dbraw/zinc/67/49/04/1134674904.db2.gz KIDNOOCREMQZBI-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN Cc1ccc(Nc2cc(-c3ccco3)no2)c2cn[nH]c21 ZINC001215756187 1134674925 /nfs/dbraw/zinc/67/49/25/1134674925.db2.gz MKGCCCIEZUDWBC-UHFFFAOYSA-N 0 1 280.287 3.863 20 0 CHADMN Cc1ccc(Nc2cccc3nccnc32)c2cn[nH]c21 ZINC001215758805 1134677085 /nfs/dbraw/zinc/67/70/85/1134677085.db2.gz YIHNXENRIXAWJH-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN COc1ccc(Nc2ccc(C)c3[nH]ncc32)c(C(C)=O)c1 ZINC001215760128 1134677390 /nfs/dbraw/zinc/67/73/90/1134677390.db2.gz HIFVMVFRLVYFIT-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN Cc1ccc(Nc2ccccc2[C@H](C)O)c2cn[nH]c21 ZINC001215758731 1134677871 /nfs/dbraw/zinc/67/78/71/1134677871.db2.gz DEKFEQZHGMNTGU-NSHDSACASA-N 0 1 267.332 3.668 20 0 CHADMN Fc1cc(Nc2cc(Cl)cc3[nH]ncc32)cc(F)n1 ZINC001215857242 1134703655 /nfs/dbraw/zinc/70/36/55/1134703655.db2.gz KTULWHFPPKHJIH-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN Oc1c(F)cccc1-c1nc(-c2cc(F)ccc2F)no1 ZINC001215863004 1134706562 /nfs/dbraw/zinc/70/65/62/1134706562.db2.gz MQUACMXSWLAXEC-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN Cc1cc(-c2noc(-c3cccc(F)c3O)n2)ccc1F ZINC001215863155 1134706634 /nfs/dbraw/zinc/70/66/34/1134706634.db2.gz RUJLXOFUJSCXCR-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN CSc1ccc(Cl)cc1Nc1ccncc1 ZINC001215910780 1134716928 /nfs/dbraw/zinc/71/69/28/1134716928.db2.gz SIHZAYZLYUTUFN-UHFFFAOYSA-N 0 1 250.754 3.622 20 0 CHADMN OCc1cc(Nc2cnc(F)c(-c3ccccc3)c2)ccn1 ZINC001215959018 1134732544 /nfs/dbraw/zinc/73/25/44/1134732544.db2.gz NWCPOYSUIWHGOS-UHFFFAOYSA-N 0 1 295.317 3.519 20 0 CHADMN Cc1cc(F)cc(C)c1Nc1ccnn1-c1ccncc1 ZINC001215963030 1134733506 /nfs/dbraw/zinc/73/35/06/1134733506.db2.gz CLICAGMQIHLTCS-UHFFFAOYSA-N 0 1 282.322 3.767 20 0 CHADMN Cc1cc(C)nc(Nc2ccc(N)c(OC(F)(F)F)c2)c1 ZINC001216029065 1134753907 /nfs/dbraw/zinc/75/39/07/1134753907.db2.gz DOOMGLULAHFJPU-UHFFFAOYSA-N 0 1 297.280 3.923 20 0 CHADMN Cc1ccc2nc(N)n(-c3cc(C)c(O)c(Cl)c3)c2c1 ZINC001216083990 1134771807 /nfs/dbraw/zinc/77/18/07/1134771807.db2.gz OKYCLHHDCCHYOE-UHFFFAOYSA-N 0 1 287.750 3.584 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cc(C)cc(C)c1N ZINC001216098852 1134777619 /nfs/dbraw/zinc/77/76/19/1134777619.db2.gz YKNFOVGRGYBGHV-UHFFFAOYSA-N 0 1 284.338 3.724 20 0 CHADMN CNc1cc(F)cc(Nc2cc(C)nn2-c2ccncc2)c1 ZINC001216186176 1134798811 /nfs/dbraw/zinc/79/88/11/1134798811.db2.gz CSWJYTRXOFPPKE-UHFFFAOYSA-N 0 1 297.337 3.500 20 0 CHADMN Cc1cnc(Cl)cc1Nc1cccc(CN(C)C)c1F ZINC001216227704 1134812809 /nfs/dbraw/zinc/81/28/09/1134812809.db2.gz GAOUIKKYPQGHFT-UHFFFAOYSA-N 0 1 293.773 3.988 20 0 CHADMN CN(C)Cc1cccc(Nc2ccnn2C2CCC2)c1F ZINC001216228449 1134812981 /nfs/dbraw/zinc/81/29/81/1134812981.db2.gz HGJGHIAJQDFQDI-UHFFFAOYSA-N 0 1 288.370 3.552 20 0 CHADMN COc1ccc(Nc2cccc(CN(C)C)c2F)c(F)c1 ZINC001216231299 1134814307 /nfs/dbraw/zinc/81/43/07/1134814307.db2.gz XCSHQSJTBFTEHT-UHFFFAOYSA-N 0 1 292.329 3.779 20 0 CHADMN COc1c(F)cccc1Nc1cccc(CN(C)C)c1F ZINC001216230967 1134814930 /nfs/dbraw/zinc/81/49/30/1134814930.db2.gz LDVZLIJRZMATFE-UHFFFAOYSA-N 0 1 292.329 3.779 20 0 CHADMN Cc1cc(N)c(Nc2cccc(CN(C)C)c2F)cc1F ZINC001216232161 1134815410 /nfs/dbraw/zinc/81/54/10/1134815410.db2.gz WHHYBQWKOVNDNM-UHFFFAOYSA-N 0 1 291.345 3.661 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc3c(c2)CCC3=O)c1F ZINC001216231967 1134815975 /nfs/dbraw/zinc/81/59/75/1134815975.db2.gz RJDSZJBURRQRBJ-UHFFFAOYSA-N 0 1 298.361 3.760 20 0 CHADMN COc1cccc(Nc2cccc(CN(C)C)c2F)c1 ZINC001216231003 1134816068 /nfs/dbraw/zinc/81/60/68/1134816068.db2.gz MSYFXFMYKBJQEK-UHFFFAOYSA-N 0 1 274.339 3.640 20 0 CHADMN CN(C)Cc1cccc(Nc2cccc3c2cnn3C)c1F ZINC001216231649 1134816148 /nfs/dbraw/zinc/81/61/48/1134816148.db2.gz NMIIEJIDQSOHFY-UHFFFAOYSA-N 0 1 298.365 3.518 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc3c(c2)COC3)c1F ZINC001216231462 1134816184 /nfs/dbraw/zinc/81/61/84/1134816184.db2.gz ZSVPIQOGNKQRMU-UHFFFAOYSA-N 0 1 286.350 3.661 20 0 CHADMN CN(C)Cc1cccc(N2CCCc3ccc(N)cc32)c1F ZINC001216232421 1134817012 /nfs/dbraw/zinc/81/70/12/1134817012.db2.gz JPQKOOREWOZJCZ-UHFFFAOYSA-N 0 1 299.393 3.554 20 0 CHADMN COc1cc(Oc2ccccc2)ccc1Nc1cncn1C ZINC001216239586 1134819954 /nfs/dbraw/zinc/81/99/54/1134819954.db2.gz BMZYGOFZMCENTG-UHFFFAOYSA-N 0 1 295.342 3.965 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccc(F)c2ccoc21 ZINC001216294692 1134838786 /nfs/dbraw/zinc/83/87/86/1134838786.db2.gz DIYZOZFMSFBYQE-UHFFFAOYSA-N 0 1 281.290 3.801 20 0 CHADMN OCc1cc(Nc2ccc(C3CCC3)cc2)ccn1 ZINC001216305580 1134844553 /nfs/dbraw/zinc/84/45/53/1134844553.db2.gz QZZVLSHTJALZGL-UHFFFAOYSA-N 0 1 254.333 3.585 20 0 CHADMN Cc1ccc(Nc2ccncc2)c(Cl)c1Cl ZINC001216439462 1134898572 /nfs/dbraw/zinc/89/85/72/1134898572.db2.gz FHYSNHDCVLLEKM-UHFFFAOYSA-N 0 1 253.132 3.862 20 0 CHADMN Oc1cccc(Cl)c1-c1nc(-c2ccc(F)cc2)no1 ZINC001216522136 1134914459 /nfs/dbraw/zinc/91/44/59/1134914459.db2.gz HLKXAJWOECLVOV-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN c1ncn(Cc2ccccc2)c1Nc1cn(C2CCC2)cn1 ZINC001216550610 1134917685 /nfs/dbraw/zinc/91/76/85/1134917685.db2.gz KSFZGCTURASBJJ-UHFFFAOYSA-N 0 1 293.374 3.597 20 0 CHADMN Clc1cccc(Nc2cncn2Cc2ccccc2)n1 ZINC001216550034 1134917931 /nfs/dbraw/zinc/91/79/31/1134917931.db2.gz HDVFNXDCDHWYMR-UHFFFAOYSA-N 0 1 284.750 3.723 20 0 CHADMN Fc1cccc(Nc2cncn2Cc2ccccc2)c1F ZINC001216551969 1134918287 /nfs/dbraw/zinc/91/82/87/1134918287.db2.gz FFKQICOMRCUVHO-UHFFFAOYSA-N 0 1 285.297 3.953 20 0 CHADMN c1nc2ccc(Nc3cncn3Cc3ccccc3)cc2o1 ZINC001216551816 1134918964 /nfs/dbraw/zinc/91/89/64/1134918964.db2.gz AYEQECYGFDFENF-UHFFFAOYSA-N 0 1 290.326 3.816 20 0 CHADMN COc1ccc(C)c(Nc2cncn2Cc2ccccc2)c1 ZINC001216551992 1134919002 /nfs/dbraw/zinc/91/90/02/1134919002.db2.gz FYYNAPLNRQLKFC-UHFFFAOYSA-N 0 1 293.370 3.992 20 0 CHADMN c1ncn(Cc2ccccc2)c1Nc1ccc2oncc2c1 ZINC001216553005 1134920055 /nfs/dbraw/zinc/92/00/55/1134920055.db2.gz AYGDMFXFSXDNTQ-UHFFFAOYSA-N 0 1 290.326 3.816 20 0 CHADMN c1ncn(Cc2ccccc2)c1Nc1cccc2c1CCO2 ZINC001216553156 1134920856 /nfs/dbraw/zinc/92/08/56/1134920856.db2.gz HLQXHELPZVRMMO-UHFFFAOYSA-N 0 1 291.354 3.610 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc(C)oc2C)sn1 ZINC000404472819 1134946319 /nfs/dbraw/zinc/94/63/19/1134946319.db2.gz ZPEHKGDWRYHOKH-SNVBAGLBSA-N 0 1 250.367 3.512 20 0 CHADMN Clc1ccc(-c2noc(-c3ccc4[nH]cnc4c3)n2)cc1 ZINC001217131446 1134963515 /nfs/dbraw/zinc/96/35/15/1134963515.db2.gz MHMMXHLVYRZMBO-UHFFFAOYSA-N 0 1 296.717 3.933 20 0 CHADMN Cc1cc(C)cc(-c2noc(-c3cnc4ccc[nH]c3-4)n2)c1 ZINC001217399075 1134975604 /nfs/dbraw/zinc/97/56/04/1134975604.db2.gz OJQPSMWHXYDOKP-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Cc1cncc(-c2noc(-c3ccc4occc4c3O)n2)c1 ZINC001217513639 1134981907 /nfs/dbraw/zinc/98/19/07/1134981907.db2.gz FNVBHQSNKLNBHS-UHFFFAOYSA-N 0 1 293.282 3.559 20 0 CHADMN Cc1[nH]nc2cc(-c3nc(-c4cccc(F)c4)no3)ccc12 ZINC001217576336 1134983660 /nfs/dbraw/zinc/98/36/60/1134983660.db2.gz NXOZLCKHUGTYQR-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1ccc2cc(-c3nc(-c4ccc(F)cc4)no3)[nH]c2n1 ZINC001217618774 1134984666 /nfs/dbraw/zinc/98/46/66/1134984666.db2.gz RUWSHGGJWHVCAL-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1ccc2cc(-c3nc(-c4cccc(F)c4)no3)[nH]c2n1 ZINC001217617925 1134985321 /nfs/dbraw/zinc/98/53/21/1134985321.db2.gz VQNOSRSLAMOBDQ-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN C[C@H]1CCCN[C@@H]1c1nnc(-c2ccc3ccccc3c2)o1 ZINC001217702077 1134987568 /nfs/dbraw/zinc/98/75/68/1134987568.db2.gz HRQTYKVEOGWHSX-LRDDRELGSA-N 0 1 293.370 3.950 20 0 CHADMN Cc1cc(Cl)ccc1-c1nnc([C@@H]2NCCC[C@@H]2C)o1 ZINC001217701978 1134988543 /nfs/dbraw/zinc/98/85/43/1134988543.db2.gz HGVCAZJNNKXJKT-TVQRCGJNSA-N 0 1 291.782 3.759 20 0 CHADMN CC[C@H](C)[C@H](NC)c1nnc(Cc2ccc(Cl)cc2)o1 ZINC001217722848 1134991720 /nfs/dbraw/zinc/99/17/20/1134991720.db2.gz HCPFSGOBSDMNGF-HZMBPMFUSA-N 0 1 293.798 3.620 20 0 CHADMN CN[C@@H](CC1CCCCC1)c1nnc(C2CCCC2)o1 ZINC001217727314 1134991912 /nfs/dbraw/zinc/99/19/12/1134991912.db2.gz DHBMMJMJWZTYCA-AWEZNQCLSA-N 0 1 277.412 3.958 20 0 CHADMN CCCCCC[C@H](CCC)Oc1n[nH]c2c1CNCC2 ZINC001218353618 1135092578 /nfs/dbraw/zinc/09/25/78/1135092578.db2.gz UYQAXANRTGLTMA-ZDUSSCGKSA-N 0 1 279.428 3.573 20 0 CHADMN CC(C)(C)c1csc(CNCCOCC2CCCC2)n1 ZINC000313264798 1135137657 /nfs/dbraw/zinc/13/76/57/1135137657.db2.gz OFOIESFUFYGZLK-UHFFFAOYSA-N 0 1 296.480 3.737 20 0 CHADMN CCc1ccc(NC(=O)CN[C@@H](C)c2cccs2)cc1 ZINC000192868910 1135146918 /nfs/dbraw/zinc/14/69/18/1135146918.db2.gz BCWMXVFZCRZMSI-LBPRGKRZSA-N 0 1 288.416 3.600 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000315829291 1135161643 /nfs/dbraw/zinc/16/16/43/1135161643.db2.gz GLUCETMMVUDHKO-LJQANCHMSA-N 0 1 297.398 3.917 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(O)c2Br)[C@@H](C)C1 ZINC000315816671 1135161658 /nfs/dbraw/zinc/16/16/58/1135161658.db2.gz JAPNBHTVPNXVAV-MNOVXSKESA-N 0 1 298.224 3.775 20 0 CHADMN CN(C)CC1=CSC(=C2SC=CS2)S1 ZINC000196765939 1135180097 /nfs/dbraw/zinc/18/00/97/1135180097.db2.gz ZNVCUYRRBLRIKE-UHFFFAOYSA-N 0 1 261.462 3.947 20 0 CHADMN CCCCCCc1ccc(-c2ncnc3c2CNC3)cc1 ZINC001222241190 1135213764 /nfs/dbraw/zinc/21/37/64/1135213764.db2.gz AZRVCVGGONUWSZ-UHFFFAOYSA-N 0 1 281.403 3.870 20 0 CHADMN OCc1c(Cl)ccc(-c2cccc3nc[nH]c32)c1F ZINC001222344182 1135229510 /nfs/dbraw/zinc/22/95/10/1135229510.db2.gz SXOPOCHHUOIPQF-UHFFFAOYSA-N 0 1 276.698 3.515 20 0 CHADMN c1ncc(CO[C@@H](COc2ccccc2)c2ccccc2)[nH]1 ZINC001222999405 1135292835 /nfs/dbraw/zinc/29/28/35/1135292835.db2.gz AOOQZHFSMKINAI-SFHVURJKSA-N 0 1 294.354 3.747 20 0 CHADMN Cc1ccc([C@H](OCc2cnc[nH]2)C(F)(F)F)cc1 ZINC001223001560 1135293989 /nfs/dbraw/zinc/29/39/89/1135293989.db2.gz ZXBKWWLTVOUQJZ-LBPRGKRZSA-N 0 1 270.254 3.538 20 0 CHADMN Fc1ccccc1CN1CCC[C@@H](OCc2ccco2)C1 ZINC001223049965 1135298904 /nfs/dbraw/zinc/29/89/04/1135298904.db2.gz FYSDKLCSXPDDGQ-OAHLLOKOSA-N 0 1 289.350 3.600 20 0 CHADMN O=C(O[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC001223147486 1135310358 /nfs/dbraw/zinc/31/03/58/1135310358.db2.gz VPTAHUGKOXOOBT-SFHVURJKSA-N 0 1 295.382 3.508 20 0 CHADMN CCN1CCC[C@H](OC(Cl)(Cl)c2ccccc2)C1 ZINC001223305785 1135325683 /nfs/dbraw/zinc/32/56/83/1135325683.db2.gz NIGMXSYIRNTJMO-ZDUSSCGKSA-N 0 1 288.218 3.775 20 0 CHADMN CN1CCCC[C@H]1CO[C@@H](c1ccccc1)C(F)(F)F ZINC001224702930 1135472241 /nfs/dbraw/zinc/47/22/41/1135472241.db2.gz PGYOJMLPLMXWIB-KBPBESRZSA-N 0 1 287.325 3.791 20 0 CHADMN CC(C)=CCC[C@H](C)CCO[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001224710161 1135473093 /nfs/dbraw/zinc/47/30/93/1135473093.db2.gz PYKJCKAZSCRFLB-ONIAQPFYSA-N 0 1 293.451 3.580 20 0 CHADMN CC(=O)c1cc(Cl)ccc1OC1CCN(C2CC2)CC1 ZINC001225743667 1135617309 /nfs/dbraw/zinc/61/73/09/1135617309.db2.gz SBMNFXZKYQHNPT-UHFFFAOYSA-N 0 1 293.794 3.548 20 0 CHADMN CCCC[C@H](Oc1[nH]c(=O)ncc1F)c1ccccc1 ZINC001225881096 1135633378 /nfs/dbraw/zinc/63/33/78/1135633378.db2.gz DUBNVBFJIJNSJR-ZDUSSCGKSA-N 0 1 276.311 3.632 20 0 CHADMN CCN1CCC[C@H](Oc2c(Cl)ccc(C)c2F)C1 ZINC001225931141 1135641206 /nfs/dbraw/zinc/64/12/06/1135641206.db2.gz DFPPDGMUMPMFLL-NSHDSACASA-N 0 1 271.763 3.651 20 0 CHADMN [S-]c1cccc(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)c1 ZINC001226012938 1135652537 /nfs/dbraw/zinc/65/25/37/1135652537.db2.gz AZSUTRYOBPHPOV-INIZCTEOSA-N 0 1 296.395 3.672 20 0 CHADMN CC(C)[C@H]1CC[C@H](Oc2n[nH]c3ncccc23)CC1 ZINC001226304774 1135682512 /nfs/dbraw/zinc/68/25/12/1135682512.db2.gz GBNYXOADQADXMA-HAQNSBGRSA-N 0 1 259.353 3.552 20 0 CHADMN Cc1ccc([C@@H](Oc2nccc(=O)[nH]2)c2ccccc2)cc1 ZINC001226323433 1135684219 /nfs/dbraw/zinc/68/42/19/1135684219.db2.gz DPHLOKQCGYQJCQ-KRWDZBQOSA-N 0 1 292.338 3.659 20 0 CHADMN Cc1ccc2nc(O[C@H](C)c3cnc4ccccn43)[nH]c2c1 ZINC001226506404 1135705140 /nfs/dbraw/zinc/70/51/40/1135705140.db2.gz OQDZAILBAYDYOZ-GFCCVEGCSA-N 0 1 292.342 3.659 20 0 CHADMN Cc1ccc(OC[C@H](C)Oc2ccc3nc[nH]c3c2)cc1 ZINC001226930248 1135762825 /nfs/dbraw/zinc/76/28/25/1135762825.db2.gz QMSSTPITJXGXRE-ZDUSSCGKSA-N 0 1 282.343 3.718 20 0 CHADMN CC(C)N1CCC[C@@H](Oc2ncc(Cl)cc2Cl)C1 ZINC001227180848 1135795314 /nfs/dbraw/zinc/79/53/14/1135795314.db2.gz CWEQPIQRJAERTC-LLVKDONJSA-N 0 1 289.206 3.640 20 0 CHADMN C[C@H](Oc1nc2ccc(Cl)cc2[nH]1)c1cccnc1F ZINC001227266815 1135812129 /nfs/dbraw/zinc/81/21/29/1135812129.db2.gz QIWDCPWGXNQMCE-QMMMGPOBSA-N 0 1 291.713 3.890 20 0 CHADMN Cc1cccc2nc(O[C@@H]3CCC(=O)c4ccccc43)[nH]c21 ZINC001227268886 1135813810 /nfs/dbraw/zinc/81/38/10/1135813810.db2.gz WDOVGROLNICPGW-MRXNPFEDSA-N 0 1 292.338 3.968 20 0 CHADMN Cc1cccc2nc(O[C@H]3CCc4c3nccc4Cl)[nH]c21 ZINC001227273163 1135814320 /nfs/dbraw/zinc/81/43/20/1135814320.db2.gz WETSRXQXQDKZPS-ZDUSSCGKSA-N 0 1 299.761 3.986 20 0 CHADMN Cc1cc(O[C@H]2CCN(C)C2)c(Cl)c(C)c1Cl ZINC001227279552 1135815385 /nfs/dbraw/zinc/81/53/85/1135815385.db2.gz VDIURVRYUURNQJ-JTQLQIEISA-N 0 1 274.191 3.693 20 0 CHADMN Cc1ccc2nc(=O)[nH]c(O[C@H](C)c3cccs3)c2c1 ZINC001227351670 1135825350 /nfs/dbraw/zinc/82/53/50/1135825350.db2.gz RUMMVTMUEZDAFJ-SNVBAGLBSA-N 0 1 286.356 3.845 20 0 CHADMN C[C@@H](Oc1ncnc2nc[nH]c21)c1ccc2ccccc2c1 ZINC001227531195 1135843790 /nfs/dbraw/zinc/84/37/90/1135843790.db2.gz PBVPGQZWEQZCFH-LLVKDONJSA-N 0 1 290.326 3.646 20 0 CHADMN COc1ccccc1CN[C@@H]1CCOc2c(C)cccc21 ZINC000082503072 178066814 /nfs/dbraw/zinc/06/68/14/178066814.db2.gz JSKFWJWOLVCDMS-MRXNPFEDSA-N 0 1 283.371 3.617 20 0 CHADMN Clc1ccc2c(c1)CN(Cc1ccccc1)CC2 ZINC000095935086 185033119 /nfs/dbraw/zinc/03/31/19/185033119.db2.gz WSXLDAUCKLFHHF-UHFFFAOYSA-N 0 1 257.764 3.898 20 0 CHADMN CC[C@@H](CN[C@@H](C)c1nc(-c2ccccc2)cs1)OC ZINC000353570676 529495066 /nfs/dbraw/zinc/49/50/66/529495066.db2.gz FMGMDFHZSZUMLE-JSGCOSHPSA-N 0 1 290.432 3.886 20 0 CHADMN CC[C@@]1(C)CCN([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000344278542 529527780 /nfs/dbraw/zinc/52/77/80/529527780.db2.gz VERJSISEOWGUQH-YJBOKZPZSA-N 0 1 288.435 3.752 20 0 CHADMN CCc1ccc(CN2CCCC[C@@H]2c2cccn2C)cn1 ZINC000347864839 529639517 /nfs/dbraw/zinc/63/95/17/529639517.db2.gz YGJQIUHWRNJOGI-GOSISDBHSA-N 0 1 283.419 3.710 20 0 CHADMN CCc1ccc(CN2CCC[C@H]2c2ccccc2OC)cn1 ZINC000347781883 529640429 /nfs/dbraw/zinc/64/04/29/529640429.db2.gz MVCASYVMOVIKQK-SFHVURJKSA-N 0 1 296.414 3.990 20 0 CHADMN CCc1ccc(CNCc2ccccc2OCC(C)C)cn1 ZINC000352774127 529653725 /nfs/dbraw/zinc/65/37/25/529653725.db2.gz VXLOCLZXUBRTBL-UHFFFAOYSA-N 0 1 298.430 3.969 20 0 CHADMN CCc1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)cn1 ZINC000352778147 529655275 /nfs/dbraw/zinc/65/52/75/529655275.db2.gz GBKQGRPGXZYBFU-OALUTQOASA-N 0 1 296.414 3.654 20 0 CHADMN CC[C@H](N[C@@H](c1nccn1C)C1CC1)c1cccs1 ZINC000353856430 529655475 /nfs/dbraw/zinc/65/54/75/529655475.db2.gz BFVVWXVAUNAYOK-GXTWGEPZSA-N 0 1 275.421 3.674 20 0 CHADMN CCc1ccc(CN(C)[C@@H](C)c2cccs2)cn1 ZINC000347590366 529636295 /nfs/dbraw/zinc/63/62/95/529636295.db2.gz OCDNSUZMGNGIKU-LBPRGKRZSA-N 0 1 260.406 3.899 20 0 CHADMN CCc1ccc(CN[C@H]2CCOc3c(CC)cccc32)cn1 ZINC000352746089 529658358 /nfs/dbraw/zinc/65/83/58/529658358.db2.gz AHLXXHZQDQYKHF-SFHVURJKSA-N 0 1 296.414 3.820 20 0 CHADMN CC[C@H](N[C@H](c1nccn1C)C1CC1)c1cccs1 ZINC000353856431 529669470 /nfs/dbraw/zinc/66/94/70/529669470.db2.gz BFVVWXVAUNAYOK-JSGCOSHPSA-N 0 1 275.421 3.674 20 0 CHADMN CCc1nc(CN2CCC[C@@H]2C(C)(C)C)cs1 ZINC000353436558 529736241 /nfs/dbraw/zinc/73/62/41/529736241.db2.gz CKOIPBXFBZZWOU-GFCCVEGCSA-N 0 1 252.427 3.716 20 0 CHADMN CN(CCCc1ccncc1)Cc1nc2ccccc2s1 ZINC000347365912 529896999 /nfs/dbraw/zinc/89/69/99/529896999.db2.gz NVOOIKKIUDVKDT-UHFFFAOYSA-N 0 1 297.427 3.756 20 0 CHADMN CN(Cc1ccco1)C[C@H]1CCC2(CCCCC2)O1 ZINC000190930176 530008416 /nfs/dbraw/zinc/00/84/16/530008416.db2.gz NMUVNFSIWVPUIN-OAHLLOKOSA-N 0 1 263.381 3.593 20 0 CHADMN CN(Cc1ccoc1)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000352651717 530013195 /nfs/dbraw/zinc/01/31/95/530013195.db2.gz DKYHWERVKPBMOS-UHFFFAOYSA-N 0 1 271.360 3.625 20 0 CHADMN C[C@H]1CN(Cc2ccc(Br)s2)C[C@H]1C ZINC000085697310 260378369 /nfs/dbraw/zinc/37/83/69/260378369.db2.gz PFOPJPSFQVBFMV-DTORHVGOSA-N 0 1 274.227 3.598 20 0 CHADMN COc1cccnc1CN[C@@H](c1ccc(C)cc1)C1CC1 ZINC000449751095 541322716 /nfs/dbraw/zinc/32/27/16/541322716.db2.gz XKPKQTHTMHFCSJ-SFHVURJKSA-N 0 1 282.387 3.640 20 0 CHADMN Cc1oc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000574406880 335017298 /nfs/dbraw/zinc/01/72/98/335017298.db2.gz WLKGALSFVONNIY-JTQLQIEISA-N 0 1 291.322 3.618 20 0 CHADMN COCc1ccc(C[N@H+]2CCc3cc(C)ccc3C2)cc1 ZINC000574418063 335018671 /nfs/dbraw/zinc/01/86/71/335018671.db2.gz WIHLZKJMXXXWNK-UHFFFAOYSA-N 0 1 281.399 3.700 20 0 CHADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1c(Cl)cccc1C(=O)[O-] ZINC000574525263 335026848 /nfs/dbraw/zinc/02/68/48/335026848.db2.gz NPVZHCSNACSVNE-JTQLQIEISA-N 0 1 281.783 3.659 20 0 CHADMN CC[C@](C)(C(=O)[O-])[N@@H+](CCCCC(F)(F)F)CC1CC1 ZINC000574584326 335032038 /nfs/dbraw/zinc/03/20/38/335032038.db2.gz FRGVXXGLQCBDID-CYBMUJFWSA-N 0 1 295.345 3.684 20 0 CHADMN Cc1cccc2c1CC[C@H]2NCc1ccc(-c2cc[nH]n2)o1 ZINC000574626433 335034578 /nfs/dbraw/zinc/03/45/78/335034578.db2.gz WZLUCCMUZPSKTO-MRXNPFEDSA-N 0 1 293.370 3.755 20 0 CHADMN CSc1ccccc1C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000344486172 533035677 /nfs/dbraw/zinc/03/56/77/533035677.db2.gz QNKJMBWFGZBZHB-UHFFFAOYSA-N 0 1 297.383 3.846 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](CCO)c2ccco2)s1 ZINC000186548642 262098258 /nfs/dbraw/zinc/09/82/58/262098258.db2.gz KVYUNYANMOQTRP-AAEUAGOBSA-N 0 1 279.405 3.678 20 0 CHADMN COc1cc([C@@H](C)N[C@H](C)c2ccccc2F)ccn1 ZINC000347555544 533121872 /nfs/dbraw/zinc/12/18/72/533121872.db2.gz KYQHCKBIVPEGCT-VXGBXAGGSA-N 0 1 274.339 3.641 20 0 CHADMN CO[C@H](C)c1nc(CN(C)[C@@H]2CCC(C)(C)C2)cs1 ZINC000344470904 533123011 /nfs/dbraw/zinc/12/30/11/533123011.db2.gz XGBBSXRXWLBVSS-DGCLKSJQSA-N 0 1 282.453 3.861 20 0 CHADMN CCc1ncc(C[N@@H+](C)C[C@@H](C)c2ccccc2)s1 ZINC000514085445 262159167 /nfs/dbraw/zinc/15/91/67/262159167.db2.gz WBBWXHCLLBCEDX-CYBMUJFWSA-N 0 1 274.433 3.941 20 0 CHADMN Cc1ncsc1CCN(C)[C@@H](C)c1cc(F)ccc1F ZINC000172527729 260015005 /nfs/dbraw/zinc/01/50/05/260015005.db2.gz XTRZEUMRKIXOMO-NSHDSACASA-N 0 1 296.386 3.965 20 0 CHADMN C[C@H](NCc1cccc(O)c1)c1cccc(OC(F)F)c1 ZINC000036935090 260053772 /nfs/dbraw/zinc/05/37/72/260053772.db2.gz PNQVUPPXPLHJLI-NSHDSACASA-N 0 1 293.313 3.844 20 0 CHADMN Cc1cc(F)ccc1CN1CCC[C@H](C(F)(F)F)C1 ZINC000179622088 260058706 /nfs/dbraw/zinc/05/87/06/260058706.db2.gz KHAKSXWGRMXZON-LBPRGKRZSA-N 0 1 275.289 3.908 20 0 CHADMN COc1ccc2oc(CN(C)Cc3ccoc3)cc2c1 ZINC000352642422 533354273 /nfs/dbraw/zinc/35/42/73/533354273.db2.gz IFMHXPXVPBRKJG-UHFFFAOYSA-N 0 1 271.316 3.666 20 0 CHADMN C[C@@H](NCc1ccc2occc2c1)c1ccncc1F ZINC000352869086 533451486 /nfs/dbraw/zinc/45/14/86/533451486.db2.gz NHWVOTPSFUPRKR-LLVKDONJSA-N 0 1 270.307 3.818 20 0 CHADMN C[C@@H](NCc1ccc2occc2c1)C(=O)Nc1ccccc1 ZINC000352748474 533451644 /nfs/dbraw/zinc/45/16/44/533451644.db2.gz JCAAIJNSNFFDIR-CYBMUJFWSA-N 0 1 294.354 3.550 20 0 CHADMN COc1cccc(CN([C@@H](C)c2ccccc2)C2CC2)n1 ZINC000352833293 533474573 /nfs/dbraw/zinc/47/45/73/533474573.db2.gz RAOJMNOZORQMLS-AWEZNQCLSA-N 0 1 282.387 3.816 20 0 CHADMN CSC1(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)CCC1 ZINC000356120025 533482839 /nfs/dbraw/zinc/48/28/39/533482839.db2.gz DBRCIEZBUFLMSL-OCCSQVGLSA-N 0 1 297.489 3.796 20 0 CHADMN CSCCCN1CC=C(c2c(F)cccc2F)CC1 ZINC000352019514 533565127 /nfs/dbraw/zinc/56/51/27/533565127.db2.gz FPXARMQAVMVNSN-UHFFFAOYSA-N 0 1 283.387 3.807 20 0 CHADMN CSCCCN1CCc2c(F)cc(F)cc2[C@H]1C ZINC000344241421 533565866 /nfs/dbraw/zinc/56/58/66/533565866.db2.gz NZMBWWAPAQTLKT-SNVBAGLBSA-N 0 1 271.376 3.637 20 0 CHADMN COc1ccc(CN2CCc3ccsc3C2)cc1C ZINC000353670284 533570025 /nfs/dbraw/zinc/57/00/25/533570025.db2.gz KZIANFCBERIZEP-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN C[C@H](CCNC(=O)c1ccc2cncn2c1)CC(C)(C)C ZINC000341573546 129926457 /nfs/dbraw/zinc/92/64/57/129926457.db2.gz DZTLZIPQAHSLRY-CYBMUJFWSA-N 0 1 287.407 3.527 20 0 CHADMN CC(C)C[C@@H](N[C@H](C)c1nccn1C)c1cccs1 ZINC000341760553 130026608 /nfs/dbraw/zinc/02/66/08/130026608.db2.gz LXEXCPUEOMGAAE-CHWSQXEVSA-N 0 1 277.437 3.920 20 0 CHADMN Cc1cnn(CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)c1 ZINC000341835022 130065444 /nfs/dbraw/zinc/06/54/44/130065444.db2.gz UMBLOJKCGHXHAK-WMLDXEAASA-N 0 1 299.418 3.573 20 0 CHADMN Cc1cc(C)n(CCN[C@@H](C)c2ccc(F)cc2Cl)n1 ZINC000341836090 130081041 /nfs/dbraw/zinc/08/10/41/130081041.db2.gz DCDUJMHCNRPNCF-LBPRGKRZSA-N 0 1 295.789 3.643 20 0 CHADMN C[C@H]1CN(CCCCCF)C[C@@H](c2ccccc2)O1 ZINC000341847192 130091418 /nfs/dbraw/zinc/09/14/18/130091418.db2.gz LNSYFSMLYRSKQA-HOCLYGCPSA-N 0 1 265.372 3.588 20 0 CHADMN Cc1cc([C@H](N[C@H](C)c2nccn2C)C2CC2)ccc1F ZINC000341878321 130104565 /nfs/dbraw/zinc/10/45/65/130104565.db2.gz NEEXPAXKDMUCCJ-MLGOLLRUSA-N 0 1 287.382 3.670 20 0 CHADMN C[C@H]1CO[C@H](c2ccccc2)CN1CCCCCF ZINC000341886366 130112852 /nfs/dbraw/zinc/11/28/52/130112852.db2.gz WLWCSHWMOHHAJG-HOCLYGCPSA-N 0 1 265.372 3.588 20 0 CHADMN C[C@H]1CCCCC[N@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000341892415 130134592 /nfs/dbraw/zinc/13/45/92/130134592.db2.gz PTQJUSQPKKLCHF-NSHDSACASA-N 0 1 272.314 3.865 20 0 CHADMN Fc1ccc(CN2CCC3(CCOCC3)CC2)c(Cl)c1 ZINC000341983100 130167982 /nfs/dbraw/zinc/16/79/82/130167982.db2.gz TYIVGMJVADXFPW-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000342022799 130203721 /nfs/dbraw/zinc/20/37/21/130203721.db2.gz PSEITWXVMWISPQ-HUUCEWRRSA-N 0 1 283.774 3.623 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000342025134 130206987 /nfs/dbraw/zinc/20/69/87/130206987.db2.gz UDCLRDBZVMKCBX-HUUCEWRRSA-N 0 1 283.774 3.623 20 0 CHADMN CCCCc1nc(CN2[C@H](C)CC[C@H]2C)cs1 ZINC000342033963 130249050 /nfs/dbraw/zinc/24/90/50/130249050.db2.gz DFRQCXWIPUJAGA-VXGBXAGGSA-N 0 1 252.427 3.859 20 0 CHADMN Cc1ccc([C@@H]2CCCN2[C@@H](C)c2cnccn2)s1 ZINC000342180298 130314423 /nfs/dbraw/zinc/31/44/23/130314423.db2.gz AINNQSMKUHXHHJ-JSGCOSHPSA-N 0 1 273.405 3.745 20 0 CHADMN Fc1cc(-c2ccncc2)ccc1CN[C@H]1C[C@H]1C(F)F ZINC000342185292 130320933 /nfs/dbraw/zinc/32/09/33/130320933.db2.gz CLEMKFKMGCNVPI-HIFRSBDPSA-N 0 1 292.304 3.631 20 0 CHADMN CC/C=C/CCN(Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000342199649 130378056 /nfs/dbraw/zinc/37/80/56/130378056.db2.gz ABOYBFCKMVQXLI-AATRIKPKSA-N 0 1 299.418 3.902 20 0 CHADMN Cc1ccc(C)c(N(Cc2n[nH]c(C3CC3)n2)C(C)C)c1 ZINC000355028134 533672139 /nfs/dbraw/zinc/67/21/39/533672139.db2.gz FZCOCBFNEHDVDA-UHFFFAOYSA-N 0 1 284.407 3.714 20 0 CHADMN CCc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccccc2)cc1 ZINC000007420068 170283810 /nfs/dbraw/zinc/28/38/10/170283810.db2.gz WWLJUNIGYHGMNF-HNNXBMFYSA-N 0 1 296.414 3.708 20 0 CHADMN CCc1ccc(CN(C)[C@H](C)C(=O)Nc2ccccc2)cc1 ZINC000007420069 170283964 /nfs/dbraw/zinc/28/39/64/170283964.db2.gz WWLJUNIGYHGMNF-OAHLLOKOSA-N 0 1 296.414 3.708 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(Cl)cc2)cc1O ZINC000020121872 171001024 /nfs/dbraw/zinc/00/10/24/171001024.db2.gz UBICGWFPIAMBCE-LLVKDONJSA-N 0 1 291.778 3.905 20 0 CHADMN C[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccccn1 ZINC000020123289 171003921 /nfs/dbraw/zinc/00/39/21/171003921.db2.gz CFBRLYSSBVITTB-NSHDSACASA-N 0 1 280.293 3.951 20 0 CHADMN COc1ccc(OC)c([C@@H](C)N[C@H](C)c2cccnc2)c1 ZINC000020127667 171012744 /nfs/dbraw/zinc/01/27/44/171012744.db2.gz MADARMDEGYQTFK-CHWSQXEVSA-N 0 1 286.375 3.511 20 0 CHADMN COc1ccc([C@H](C)NCc2cccs2)c(OC)c1 ZINC000020139406 171026320 /nfs/dbraw/zinc/02/63/20/171026320.db2.gz DBGNDSOMDXXZML-NSHDSACASA-N 0 1 277.389 3.616 20 0 CHADMN C[C@@H](NCc1cnn(-c2ccccc2)c1)c1cccs1 ZINC000020148213 171035824 /nfs/dbraw/zinc/03/58/24/171035824.db2.gz CDPSTSPXMCLMHD-CYBMUJFWSA-N 0 1 283.400 3.785 20 0 CHADMN C[C@H](N[C@H]1CCCc2occc21)c1ccc2c(c1)OCO2 ZINC000020204457 171069143 /nfs/dbraw/zinc/06/91/43/171069143.db2.gz KHCQCULLNZSAOF-FZMZJTMJSA-N 0 1 285.343 3.737 20 0 CHADMN Clc1ccc(CN[C@@H]2CCOc3ccccc32)cc1 ZINC000020209885 171074003 /nfs/dbraw/zinc/07/40/03/171074003.db2.gz IGGNBWGDTAEKIG-OAHLLOKOSA-N 0 1 273.763 3.953 20 0 CHADMN Fc1cccc(CNCc2cc3ccccc3o2)c1 ZINC000020473316 171217236 /nfs/dbraw/zinc/21/72/36/171217236.db2.gz HTZKJAPSAHIXAF-UHFFFAOYSA-N 0 1 255.292 3.862 20 0 CHADMN O=C(Nc1cccc(Cl)c1)c1ccc(Cl)cc1O ZINC000021031718 171292067 /nfs/dbraw/zinc/29/20/67/171292067.db2.gz INFODZFMCUVTCE-UHFFFAOYSA-N 0 1 282.126 3.951 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2ccccc2F)n1 ZINC000022748455 171397132 /nfs/dbraw/zinc/39/71/32/171397132.db2.gz VIYLOQAXXBSKNK-UHFFFAOYSA-N 0 1 265.357 3.534 20 0 CHADMN CC(C)(C)c1nc(SCc2ccccc2F)n[nH]1 ZINC000022748455 171397133 /nfs/dbraw/zinc/39/71/33/171397133.db2.gz VIYLOQAXXBSKNK-UHFFFAOYSA-N 0 1 265.357 3.534 20 0 CHADMN CN(C(=O)c1ccc(O)c(Cl)c1)C1CCCCCC1 ZINC000035175533 172028569 /nfs/dbraw/zinc/02/85/69/172028569.db2.gz PCPNLCOLYOQGPP-UHFFFAOYSA-N 0 1 281.783 3.840 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1ccc(Cl)s1 ZINC000035253719 172083552 /nfs/dbraw/zinc/08/35/52/172083552.db2.gz DQPDIMMOXWKTHG-MRVPVSSYSA-N 0 1 270.785 3.857 20 0 CHADMN C[C@H](NCc1ccc(Cl)s1)c1ccc2c(c1)OCO2 ZINC000035256617 172086805 /nfs/dbraw/zinc/08/68/05/172086805.db2.gz OZPKYAJNCQKAMB-VIFPVBQESA-N 0 1 295.791 3.981 20 0 CHADMN Cc1c([C@H](C)NCc2ccc(Cl)c(Cl)c2)cnn1C ZINC000035274300 172094126 /nfs/dbraw/zinc/09/41/26/172094126.db2.gz WYKAZIGLSYGJPJ-VIFPVBQESA-N 0 1 298.217 3.886 20 0 CHADMN Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000035303024 172117640 /nfs/dbraw/zinc/11/76/40/172117640.db2.gz PLRWCUKSMAWYHH-MRXNPFEDSA-N 0 1 289.419 3.650 20 0 CHADMN CCCCc1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000040173905 174200120 /nfs/dbraw/zinc/20/01/20/174200120.db2.gz DKZSVQSPSXJGRW-SFHVURJKSA-N 0 1 296.414 3.538 20 0 CHADMN OCC[C@H](NCc1ccc(F)cc1Cl)c1ccccc1 ZINC000344440356 225074727 /nfs/dbraw/zinc/07/47/27/225074727.db2.gz NQAPORVZOBXCAO-INIZCTEOSA-N 0 1 293.769 3.692 20 0 CHADMN Cc1cnn(-c2ccncc2NCc2cc(C)ccc2F)c1 ZINC000345011690 225229181 /nfs/dbraw/zinc/22/91/81/225229181.db2.gz LNMQAHALKCKEQU-UHFFFAOYSA-N 0 1 296.349 3.635 20 0 CHADMN c1csc(-c2nc(CN[C@H]3CCCSC3)cs2)c1 ZINC000344721545 225157951 /nfs/dbraw/zinc/15/79/51/225157951.db2.gz JEHFVGCCCHIRJR-JTQLQIEISA-N 0 1 296.486 3.857 20 0 CHADMN C[C@H](N[C@@H]1CCCN(C)c2ccccc21)c1ccncc1F ZINC000334689664 225273836 /nfs/dbraw/zinc/27/38/36/225273836.db2.gz WGEDONCAUBCIJI-SUMWQHHRSA-N 0 1 299.393 3.843 20 0 CHADMN Cc1ccc(CN[C@H]2CCCOc3ccccc32)nc1C ZINC000334718480 225287444 /nfs/dbraw/zinc/28/74/44/225287444.db2.gz LYBBKGFTAHNQHX-KRWDZBQOSA-N 0 1 282.387 3.702 20 0 CHADMN Fc1cncc(CN[C@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000334764586 225314217 /nfs/dbraw/zinc/31/42/17/225314217.db2.gz UYUYNMMGHRIFBD-INIZCTEOSA-N 0 1 292.304 3.666 20 0 CHADMN C[C@@H](c1ccncc1F)N1CCC[C@]2(CCSC2)C1 ZINC000334672725 225243683 /nfs/dbraw/zinc/24/36/83/225243683.db2.gz WYSWXYKHLMMLNG-WFASDCNBSA-N 0 1 280.412 3.501 20 0 CHADMN c1c(-c2ccccc2)n[nH]c1-c1nc(C2CCCC2)no1 ZINC000345471026 225520994 /nfs/dbraw/zinc/52/09/94/225520994.db2.gz QMZFLNJAODUSTM-UHFFFAOYSA-N 0 1 280.331 3.784 20 0 CHADMN COc1ccncc1CN[C@H](C)c1ccc2ncsc2c1 ZINC000347221919 226091783 /nfs/dbraw/zinc/09/17/83/226091783.db2.gz JJNPRKPFERKQHZ-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN C[C@H]1CC(C)(C)CN1Cc1cnc([C@H]2CCCO2)s1 ZINC000335264471 226097742 /nfs/dbraw/zinc/09/77/42/226097742.db2.gz ZXLDUIYLGHVWMV-WCQYABFASA-N 0 1 280.437 3.615 20 0 CHADMN Cc1cccc(CN(Cc2cccs2)C(C)C)n1 ZINC000347359940 226133872 /nfs/dbraw/zinc/13/38/72/226133872.db2.gz FMCCEHJJDOZMNC-UHFFFAOYSA-N 0 1 260.406 3.862 20 0 CHADMN Cc1cccc(CN2CCC[C@H]2c2cccc(F)c2)n1 ZINC000347354372 226149732 /nfs/dbraw/zinc/14/97/32/226149732.db2.gz AOJJXMSIGMCVCF-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@@H]1CCCN(Cc2cscc2Br)C1 ZINC000347662435 226214562 /nfs/dbraw/zinc/21/45/62/226214562.db2.gz ASYXVKCDTVDVHU-SECBINFHSA-N 0 1 274.227 3.743 20 0 CHADMN C[C@@H]1CCCCN1Cc1cscc1Br ZINC000347674142 226218086 /nfs/dbraw/zinc/21/80/86/226218086.db2.gz MXLMYFPBKAKRTB-SECBINFHSA-N 0 1 274.227 3.885 20 0 CHADMN FC(F)n1ccc(CN2CCCC23CCCCC3)n1 ZINC000347655480 226227605 /nfs/dbraw/zinc/22/76/05/226227605.db2.gz ASCFCLYOKHFVPF-UHFFFAOYSA-N 0 1 269.339 3.577 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1cscc1Br ZINC000347923328 226392765 /nfs/dbraw/zinc/39/27/65/226392765.db2.gz SXIUFZUAYAJJDW-IUCAKERBSA-N 0 1 274.227 3.883 20 0 CHADMN COCC[C@@H](N[C@H](C)c1ncc(C)s1)c1ccccc1 ZINC000348513976 226468784 /nfs/dbraw/zinc/46/87/84/226468784.db2.gz KMYVQTOFCOKNRL-UKRRQHHQSA-N 0 1 290.432 3.880 20 0 CHADMN Cc1ncsc1CN(C)CCc1c(F)cccc1Cl ZINC000171751083 335077419 /nfs/dbraw/zinc/07/74/19/335077419.db2.gz CCEOANOTRVXVJB-UHFFFAOYSA-N 0 1 298.814 3.919 20 0 CHADMN Cc1sccc1C[N@@H+](C)CCOc1ccccc1F ZINC000350383483 227006288 /nfs/dbraw/zinc/00/62/88/227006288.db2.gz FOPPSPABZXNYFA-UHFFFAOYSA-N 0 1 279.380 3.706 20 0 CHADMN C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCC[C@@H]1C ZINC000336450107 227021918 /nfs/dbraw/zinc/02/19/18/227021918.db2.gz PHDBTPORIAZLOV-WDEREUQCSA-N 0 1 291.782 3.935 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@H](c3ccccc3)C2)s1 ZINC000336463783 227037168 /nfs/dbraw/zinc/03/71/68/227037168.db2.gz XRUVYFLPKMCYFG-WFASDCNBSA-N 0 1 287.432 3.787 20 0 CHADMN C[C@H](N[C@@H]1CCCOc2ccc(F)cc21)c1cncs1 ZINC000336464354 227038082 /nfs/dbraw/zinc/03/80/82/227038082.db2.gz KIQWSDIAUXHUSW-GXFFZTMASA-N 0 1 292.379 3.847 20 0 CHADMN CCOc1ccc(CN(C)[C@H](C)c2ccccn2)cc1 ZINC000194154740 227075345 /nfs/dbraw/zinc/07/53/45/227075345.db2.gz KWOJOGAZVZGNNJ-CQSZACIVSA-N 0 1 270.376 3.673 20 0 CHADMN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1Cc1ccncc1 ZINC000354824927 227141644 /nfs/dbraw/zinc/14/16/44/227141644.db2.gz BWSGBJIMYDNZCD-QWHCGFSZSA-N 0 1 270.351 3.729 20 0 CHADMN CCn1nc(C)c(NCc2cnc(-c3ccccc3)[nH]2)c1C ZINC000350873521 227159520 /nfs/dbraw/zinc/15/95/20/227159520.db2.gz ZFIVLRBRAYWTCT-UHFFFAOYSA-N 0 1 295.390 3.522 20 0 CHADMN CSCc1cnc(CN(C)C(C2CC2)C2CC2)s1 ZINC000350873526 227160432 /nfs/dbraw/zinc/16/04/32/227160432.db2.gz ZHNFLFFFBIKAJQ-UHFFFAOYSA-N 0 1 282.478 3.627 20 0 CHADMN C[C@H]1CCCN(Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000352800882 227238464 /nfs/dbraw/zinc/23/84/64/227238464.db2.gz QQBNPRGXZSNQPF-LBPRGKRZSA-N 0 1 291.826 3.849 20 0 CHADMN COCCCN(C)Cc1c(Cl)oc2ccccc21 ZINC000352821682 227259073 /nfs/dbraw/zinc/25/90/73/227259073.db2.gz CAKHCFOVGDSHMA-UHFFFAOYSA-N 0 1 267.756 3.555 20 0 CHADMN CCOc1ccccc1[C@@H](CC)N[C@H](C)c1ccnn1C ZINC000192798845 227299481 /nfs/dbraw/zinc/29/94/81/227299481.db2.gz NATNHWCPRCFOLD-UKRRQHHQSA-N 0 1 287.407 3.621 20 0 CHADMN COC1(CNCc2csc(C3CC3)n2)CCC(C)CC1 ZINC000355423597 227760065 /nfs/dbraw/zinc/76/00/65/227760065.db2.gz RRZMLUOIMOLMIE-UHFFFAOYSA-N 0 1 294.464 3.705 20 0 CHADMN CCn1cncc1CNCc1ccc(OC2CCCC2)cc1 ZINC000417959380 228032012 /nfs/dbraw/zinc/03/20/12/228032012.db2.gz DOWIWWAQXKYHLH-UHFFFAOYSA-N 0 1 299.418 3.514 20 0 CHADMN C[C@@H]1CN(Cc2c(Cl)oc3ccccc32)CCCO1 ZINC000353444440 228103203 /nfs/dbraw/zinc/10/32/03/228103203.db2.gz UQWIIPIAHJTURS-LLVKDONJSA-N 0 1 279.767 3.697 20 0 CHADMN Cc1ccncc1CN(C)[C@H](C)c1cccc(F)c1 ZINC000353450965 228105115 /nfs/dbraw/zinc/10/51/15/228105115.db2.gz VZNWHBBQQJYCOX-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN CO[C@H](CNCc1nc2ccc(F)cc2s1)CC(C)C ZINC000418106358 228055369 /nfs/dbraw/zinc/05/53/69/228055369.db2.gz ZJWPQTWOIHAHOV-LBPRGKRZSA-N 0 1 296.411 3.586 20 0 CHADMN CCc1nnc(CN[C@H]2CC[C@@H](c3ccccc3)C2)s1 ZINC000353100603 228059374 /nfs/dbraw/zinc/05/93/74/228059374.db2.gz ZIQKBBUYRWUNGN-KGLIPLIRSA-N 0 1 287.432 3.526 20 0 CHADMN Cc1noc([C@H]2CCCCN2C[C@@H](C)CC(C)C)n1 ZINC000353553516 228120016 /nfs/dbraw/zinc/12/00/16/228120016.db2.gz FCAPPJGFFVIROK-GXTWGEPZSA-N 0 1 265.401 3.587 20 0 CHADMN Cc1cc(Cl)ccc1CNCc1ccc2cc[nH]c2n1 ZINC000353242365 228073701 /nfs/dbraw/zinc/07/37/01/228073701.db2.gz NWTJXRNOUDBFAC-UHFFFAOYSA-N 0 1 285.778 3.815 20 0 CHADMN CO[C@H](C)c1nc(CN[C@@H]2CCC23CCCC3)cs1 ZINC000353312687 228084270 /nfs/dbraw/zinc/08/42/70/228084270.db2.gz JTLVZCXGKXBQQO-DGCLKSJQSA-N 0 1 280.437 3.663 20 0 CHADMN c1cc2ccc(CN[C@@H]3CCCc4sccc43)nc2[nH]1 ZINC000353633916 228136467 /nfs/dbraw/zinc/13/64/67/228136467.db2.gz XZVHINNHEFYLSU-CQSZACIVSA-N 0 1 283.400 3.792 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cccc2c1CCCC2 ZINC000331914973 228138329 /nfs/dbraw/zinc/13/83/29/228138329.db2.gz HWOQFDQLEBYLDU-UHFFFAOYSA-N 0 1 297.402 3.973 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](CC(F)(F)F)C(C)C)no1 ZINC000353648484 228138977 /nfs/dbraw/zinc/13/89/77/228138977.db2.gz ZGNINDJFKZQQHS-MWLCHTKSSA-N 0 1 264.291 3.611 20 0 CHADMN FC(F)C1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000353671497 228142680 /nfs/dbraw/zinc/14/26/80/228142680.db2.gz NRIZFFDOBXGCDA-UHFFFAOYSA-N 0 1 286.391 3.888 20 0 CHADMN Cc1cc(C)c(C(=O)Nc2cc(Cl)c(O)cc2F)o1 ZINC000335955776 228169620 /nfs/dbraw/zinc/16/96/20/228169620.db2.gz SGZPLNFSGDOIIN-UHFFFAOYSA-N 0 1 283.686 3.647 20 0 CHADMN Cc1ccc([C@H]2CCCN2C(=O)c2cnc(C3CC3)[nH]2)cc1 ZINC000335960664 228171571 /nfs/dbraw/zinc/17/15/71/228171571.db2.gz RZESFKVSGJUNQJ-MRXNPFEDSA-N 0 1 295.386 3.573 20 0 CHADMN C[C@H](N[C@@H]1COc2ccc(F)cc21)c1cccs1 ZINC000336049040 228182339 /nfs/dbraw/zinc/18/23/39/228182339.db2.gz FKWQFGQBWDLCBI-JOYOIKCWSA-N 0 1 263.337 3.672 20 0 CHADMN Cc1nnsc1CN[C@@H]1CCCc2c(C)ccc(C)c21 ZINC000336106725 228187622 /nfs/dbraw/zinc/18/76/22/228187622.db2.gz ISEJVSXGYYXGQQ-CQSZACIVSA-N 0 1 287.432 3.631 20 0 CHADMN Cc1csc2[nH]c(-c3nc4ccccc4o3)nc(=O)c12 ZINC000352206574 228199065 /nfs/dbraw/zinc/19/90/65/228199065.db2.gz NWPZVIVFEGVZBZ-UHFFFAOYSA-N 0 1 283.312 3.514 20 0 CHADMN Cc1cnccc1CN[C@H]1CCCOc2ccc(F)cc21 ZINC000336219592 228215783 /nfs/dbraw/zinc/21/57/83/228215783.db2.gz LXARQDMFZULATN-INIZCTEOSA-N 0 1 286.350 3.533 20 0 CHADMN Cc1cnccc1CN1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000336225897 228217648 /nfs/dbraw/zinc/21/76/48/228217648.db2.gz BJGAJPXPDPZDIP-WCQYABFASA-N 0 1 272.314 3.553 20 0 CHADMN C[C@H](N[C@H](c1ccco1)c1ccccc1)[C@H]1CCCO1 ZINC000034676210 259998314 /nfs/dbraw/zinc/99/83/14/259998314.db2.gz BVPBSTIQSBFLOH-LXZKKBNFSA-N 0 1 271.360 3.526 20 0 CHADMN CCC[C@@H](C(=O)NCc1nc2ccc(C)cc2[nH]1)C(C)C ZINC000179425890 260047905 /nfs/dbraw/zinc/04/79/05/260047905.db2.gz RCXXLVUWEHQVAD-CYBMUJFWSA-N 0 1 287.407 3.560 20 0 CHADMN CCOC(=O)c1ccc(CN(C)[C@@H](C)c2ccccc2)o1 ZINC000179702240 260065148 /nfs/dbraw/zinc/06/51/48/260065148.db2.gz IDWSYWQEPQGGIJ-ZDUSSCGKSA-N 0 1 287.359 3.649 20 0 CHADMN Cc1ccc2nc(-c3ccnn3C(C)C)[nH]c2c1C ZINC000526042251 260112473 /nfs/dbraw/zinc/11/24/73/260112473.db2.gz ANPUAOUSZOVOKA-UHFFFAOYSA-N 0 1 254.337 3.624 20 0 CHADMN Brc1ccc(CN2CC[C@@H](C3CC3)C2)s1 ZINC000307271566 260137097 /nfs/dbraw/zinc/13/70/97/260137097.db2.gz NPMNAAPNRORHQW-SNVBAGLBSA-N 0 1 286.238 3.743 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1nccn1C)c1ccc(F)cc1 ZINC000070444087 260157596 /nfs/dbraw/zinc/15/75/96/260157596.db2.gz KMSMLYOKFRBXFC-IUODEOHRSA-N 0 1 275.371 3.607 20 0 CHADMN Cc1cccnc1CNCc1csc2ccccc12 ZINC000071339946 260161704 /nfs/dbraw/zinc/16/17/04/260161704.db2.gz ZPDVXNOMSVJVCJ-UHFFFAOYSA-N 0 1 268.385 3.895 20 0 CHADMN CC(C)(C)c1nc(CNCCc2cccc(F)c2)cs1 ZINC000080024724 260177503 /nfs/dbraw/zinc/17/75/03/260177503.db2.gz PHXPDNBSHDUECC-UHFFFAOYSA-N 0 1 292.423 3.912 20 0 CHADMN CCC(C)(C)OCCNCc1ccsc1Cl ZINC000312621634 260183902 /nfs/dbraw/zinc/18/39/02/260183902.db2.gz WUNZVIVRSRZPRN-UHFFFAOYSA-N 0 1 261.818 3.696 20 0 CHADMN CCc1nc(C)c(CNCc2ccc(C3CC3)cc2)o1 ZINC000312628138 260185381 /nfs/dbraw/zinc/18/53/81/260185381.db2.gz LINWSEDTQUVKEZ-UHFFFAOYSA-N 0 1 270.376 3.713 20 0 CHADMN C[N@@H+](Cc1cccc2ccccc21)CC1(CC(=O)[O-])CC1 ZINC000521634068 260198006 /nfs/dbraw/zinc/19/80/06/260198006.db2.gz NGNZSEYWTSSXGL-UHFFFAOYSA-N 0 1 283.371 3.527 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@@H+](C)CCOC[C@H]1CCCO1 ZINC000525488291 260200337 /nfs/dbraw/zinc/20/03/37/260200337.db2.gz JIYJESLLGANYMZ-ZIAGYGMSSA-N 0 1 297.826 3.528 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)CCOC[C@H]1CCCO1 ZINC000525488291 260200338 /nfs/dbraw/zinc/20/03/38/260200338.db2.gz JIYJESLLGANYMZ-ZIAGYGMSSA-N 0 1 297.826 3.528 20 0 CHADMN c1cc2c(o1)CCC[C@H]2NCc1ccc2ccccc2n1 ZINC000086317272 260207407 /nfs/dbraw/zinc/20/74/07/260207407.db2.gz FDSORQYBBBKVCW-QGZVFWFLSA-N 0 1 278.355 3.995 20 0 CHADMN C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086810064 260210038 /nfs/dbraw/zinc/21/00/38/260210038.db2.gz DHYPJOMUOLSDJD-VXGBXAGGSA-N 0 1 297.345 3.603 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000300258973 260213673 /nfs/dbraw/zinc/21/36/73/260213673.db2.gz JCIXKCRUOGQVPW-GDBMZVCRSA-N 0 1 269.429 3.636 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cnn(C(C)C)c2)cc1F ZINC000088765787 260234523 /nfs/dbraw/zinc/23/45/23/260234523.db2.gz YELNSKUCNNDTPH-CYBMUJFWSA-N 0 1 275.371 3.762 20 0 CHADMN CC(C)C[C@H](C)C[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000517759406 260240408 /nfs/dbraw/zinc/24/04/08/260240408.db2.gz VNGXPBDWFXFEOM-XIRDDKMYSA-N 0 1 289.419 3.959 20 0 CHADMN COc1cc(F)cc(CN[C@@H](C)c2ccccc2OC)c1 ZINC000090972012 260263944 /nfs/dbraw/zinc/26/39/44/260263944.db2.gz JKZCWNKLFQLWJF-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN Cc1noc(C)c1CN[C@@H](C)c1ccc(C)c(C)c1 ZINC000092329101 260269452 /nfs/dbraw/zinc/26/94/52/260269452.db2.gz FOFIYAKIENJUDS-LBPRGKRZSA-N 0 1 258.365 3.759 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1CCCCc2ccccc21 ZINC000092328639 260269625 /nfs/dbraw/zinc/26/96/25/260269625.db2.gz QYZNWPVGPMLONZ-QGZVFWFLSA-N 0 1 270.376 3.849 20 0 CHADMN Cn1cccc1CN1CCC(c2cccc(F)c2F)CC1 ZINC000518031161 260336089 /nfs/dbraw/zinc/33/60/89/260336089.db2.gz ZDFNZDZCHJASNM-UHFFFAOYSA-N 0 1 290.357 3.683 20 0 CHADMN CC[C@@H](NCc1cccc2c1OCO2)c1ccc(F)cc1 ZINC000040667006 260341117 /nfs/dbraw/zinc/34/11/17/260341117.db2.gz ORBUPNAQFUPZCA-OAHLLOKOSA-N 0 1 287.334 3.795 20 0 CHADMN Cc1nccc(CN[C@@H](C)c2cc3ccccc3s2)n1 ZINC000126495983 260352756 /nfs/dbraw/zinc/35/27/56/260352756.db2.gz URYGKUBFRLKIRN-NSHDSACASA-N 0 1 283.400 3.851 20 0 CHADMN COc1ccccc1C(C)(C)NCc1c(C)nsc1C ZINC000518212092 260356770 /nfs/dbraw/zinc/35/67/70/260356770.db2.gz MBUBZNZAHQRPSA-UHFFFAOYSA-N 0 1 290.432 3.793 20 0 CHADMN CCCOc1ccc(CN[C@H](C)c2cncnc2C)c(C)c1 ZINC000518215183 260358191 /nfs/dbraw/zinc/35/81/91/260358191.db2.gz OJKPMEYHUHRBMC-CQSZACIVSA-N 0 1 299.418 3.733 20 0 CHADMN C[N@@H+](Cc1ccsc1C(=O)[O-])[C@H]1CCc2ccccc21 ZINC000518387170 260395834 /nfs/dbraw/zinc/39/58/34/260395834.db2.gz YWPVJSAPKOHOIX-AWEZNQCLSA-N 0 1 287.384 3.566 20 0 CHADMN CSC[C@H](C)NCc1csc(-c2ccc(F)cc2)n1 ZINC000130690098 260399098 /nfs/dbraw/zinc/39/90/98/260399098.db2.gz CNYAZUSLTVOLEC-JTQLQIEISA-N 0 1 296.436 3.790 20 0 CHADMN CC[C@@H](C)N[C@H](c1ccco1)c1ccccc1OC ZINC000090534391 260461701 /nfs/dbraw/zinc/46/17/01/260461701.db2.gz KGHGTNVEDFAKKK-WBMJQRKESA-N 0 1 259.349 3.766 20 0 CHADMN C[C@@H](CC(F)(F)F)N[C@@H](C)c1cccc(F)c1F ZINC000090963438 260469546 /nfs/dbraw/zinc/46/95/46/260469546.db2.gz XHZCUHKRPJMPOI-YUMQZZPRSA-N 0 1 267.241 3.956 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2)c(C)o1 ZINC000044730647 260647765 /nfs/dbraw/zinc/64/77/65/260647765.db2.gz HALWGZVYUVECJI-CHWSQXEVSA-N 0 1 286.375 3.574 20 0 CHADMN Cc1cc([C@@H](C)NC(=O)c2n[nH]c3ccccc32)c(C)s1 ZINC000047493173 260653328 /nfs/dbraw/zinc/65/33/28/260653328.db2.gz FVEIVOOLZORTHO-SNVBAGLBSA-N 0 1 299.399 3.732 20 0 CHADMN CCCc1ncc(CNCc2c(C)cccc2C)o1 ZINC000449614778 260766575 /nfs/dbraw/zinc/76/65/75/260766575.db2.gz WRRZKHTUNMDSRE-UHFFFAOYSA-N 0 1 258.365 3.534 20 0 CHADMN CCC[C@H](NCc1ccco1)c1ccc(OC)cc1 ZINC000152026365 261058174 /nfs/dbraw/zinc/05/81/74/261058174.db2.gz QDEVHIDJOBCQQI-INIZCTEOSA-N 0 1 259.349 3.919 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1cc(F)ccc1F)CC2 ZINC000092837391 261060603 /nfs/dbraw/zinc/06/06/03/261060603.db2.gz ULNNMJKZIXCCSJ-KRWDZBQOSA-N 0 1 289.325 3.751 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1ccccn1 ZINC000152373754 261063530 /nfs/dbraw/zinc/06/35/30/261063530.db2.gz IRZLRWBMHMEDGU-BDJLRTHQSA-N 0 1 256.324 3.559 20 0 CHADMN Fc1cccc(C2(NCc3ccc(F)c(F)c3)CC2)c1 ZINC000152870802 261070587 /nfs/dbraw/zinc/07/05/87/261070587.db2.gz NSVJBYBGBKWFLL-UHFFFAOYSA-N 0 1 277.289 3.883 20 0 CHADMN CN(Cc1coc(-c2c(F)cccc2F)n1)C1CCC1 ZINC000154391079 261090994 /nfs/dbraw/zinc/09/09/94/261090994.db2.gz BDKIRHAFYNLIEV-UHFFFAOYSA-N 0 1 278.302 3.604 20 0 CHADMN c1cc(CN2CCC[C@@H]3CCC[C@@H]32)n(-c2ccccc2)n1 ZINC000448336124 261117502 /nfs/dbraw/zinc/11/75/02/261117502.db2.gz ZPQPDVCGISRSKF-YJBOKZPZSA-N 0 1 281.403 3.637 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2ncc(C(C)(C)C)s2)C1 ZINC000448336942 261118255 /nfs/dbraw/zinc/11/82/55/261118255.db2.gz JZMIBBUSYYFEPS-QWRGUYRKSA-N 0 1 252.427 3.671 20 0 CHADMN Cc1c(CNCc2ccc(-c3ccc(C)cc3)o2)cnn1C ZINC000156535858 261125201 /nfs/dbraw/zinc/12/52/01/261125201.db2.gz LSXGZOGMEQGNRO-UHFFFAOYSA-N 0 1 295.386 3.587 20 0 CHADMN CC(C)(C)c1cnc(CN2CCCC23CCC3)s1 ZINC000448368378 261130377 /nfs/dbraw/zinc/13/03/77/261130377.db2.gz UTWDMDCWEVXMKQ-UHFFFAOYSA-N 0 1 264.438 3.959 20 0 CHADMN COc1cc(CN(C)[C@@H](C)c2ccccc2F)ccc1O ZINC000156845591 261133732 /nfs/dbraw/zinc/13/37/32/261133732.db2.gz SLUYCIPPDVUJDN-LBPRGKRZSA-N 0 1 289.350 3.733 20 0 CHADMN C[C@H](N[C@@H]1CCCc2sccc21)c1cncs1 ZINC000158301779 261163036 /nfs/dbraw/zinc/16/30/36/261163036.db2.gz BSXDRUJMCAKJBW-GXSJLCMTSA-N 0 1 264.419 3.933 20 0 CHADMN CO[C@H](C)c1noc(CN(CCC(C)C)CCC(C)C)n1 ZINC000175034690 261207609 /nfs/dbraw/zinc/20/76/09/261207609.db2.gz MDMHVIRZHIJFJT-CQSZACIVSA-N 0 1 297.443 3.671 20 0 CHADMN Cc1ccccc1Cc1noc(CN2CCC[C@H](C)CC2)n1 ZINC000175604911 261236603 /nfs/dbraw/zinc/23/66/03/261236603.db2.gz HOJVWPAYAKCHMC-AWEZNQCLSA-N 0 1 299.418 3.591 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cc(C)ccc3F)cc2[nH]1 ZINC000053008615 261248963 /nfs/dbraw/zinc/24/89/63/261248963.db2.gz QXFIRGRNDYHLCQ-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN COc1cc(CN[C@H](C)c2ccccc2OC)ccc1C ZINC000161786025 261260111 /nfs/dbraw/zinc/26/01/11/261260111.db2.gz SCIOKQZZKMBMQY-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN COc1cc(CN[C@@H](C)c2cnn(C(C)C)c2)ccc1C ZINC000161812449 261260308 /nfs/dbraw/zinc/26/03/08/261260308.db2.gz LENXXGAOHUWWOQ-AWEZNQCLSA-N 0 1 287.407 3.632 20 0 CHADMN C[C@H](NCc1ccnc(N2CCCCC2)c1)c1ccco1 ZINC000162465734 261283022 /nfs/dbraw/zinc/28/30/22/261283022.db2.gz JECFNTXXSIDPSB-AWEZNQCLSA-N 0 1 285.391 3.516 20 0 CHADMN CC(C)Cc1ncc(CN[C@H](C)c2cccc(O)c2)s1 ZINC000162512806 261284022 /nfs/dbraw/zinc/28/40/22/261284022.db2.gz CPDZJEHXOGUYCT-GFCCVEGCSA-N 0 1 290.432 3.898 20 0 CHADMN COc1ccc(CN2CCC[C@@H]2c2cccs2)cc1O ZINC000162695913 261291430 /nfs/dbraw/zinc/29/14/30/261291430.db2.gz DSTFMJDYUBBHNX-CYBMUJFWSA-N 0 1 289.400 3.799 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1nc(C)c(C)o1)C1CC1 ZINC000104966896 261304289 /nfs/dbraw/zinc/30/42/89/261304289.db2.gz WLRHXLPLAHMHHH-CMPLNLGQSA-N 0 1 250.386 3.690 20 0 CHADMN Cc1noc(C)c1CN[C@@H](c1cccs1)C1CC1 ZINC000106006179 261322047 /nfs/dbraw/zinc/32/20/47/261322047.db2.gz UQKOXFIYXXBFMW-CQSZACIVSA-N 0 1 262.378 3.594 20 0 CHADMN CSC[C@@H](O)CN([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000187808356 261335428 /nfs/dbraw/zinc/33/54/28/261335428.db2.gz JOTQFMPXAQMOSF-AAEUAGOBSA-N 0 1 299.867 3.589 20 0 CHADMN COC(=O)c1ccc([C@@H](C)N(C)Cc2cccc(C)c2)o1 ZINC000107848750 261380077 /nfs/dbraw/zinc/38/00/77/261380077.db2.gz CYTLSTYFTPNNRS-CYBMUJFWSA-N 0 1 287.359 3.568 20 0 CHADMN Cc1nc(CNCCc2c(C)oc3ccccc32)cs1 ZINC000361746225 261386360 /nfs/dbraw/zinc/38/63/60/261386360.db2.gz VFXYHJPVZJAING-UHFFFAOYSA-N 0 1 286.400 3.838 20 0 CHADMN CCc1noc(CC)c1CN[C@@H](C)c1cccc(OC)c1 ZINC000166956204 261395521 /nfs/dbraw/zinc/39/55/21/261395521.db2.gz AGPUOXNKOHARPL-LBPRGKRZSA-N 0 1 288.391 3.659 20 0 CHADMN CO[C@H](C)CN[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000182419283 261442920 /nfs/dbraw/zinc/44/29/20/261442920.db2.gz FDVTXFBRIRFOQV-SFYZADRCSA-N 0 1 280.170 3.818 20 0 CHADMN CC(C)C[C@@H](C)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000179247794 261774697 /nfs/dbraw/zinc/77/46/97/261774697.db2.gz TYFDUSKHNMGSRV-KGLIPLIRSA-N 0 1 287.407 3.746 20 0 CHADMN Fc1ccccc1CN1CCC[C@H]1c1ccncc1 ZINC000179576471 261799482 /nfs/dbraw/zinc/79/94/82/261799482.db2.gz CGHSTRNUXZGLPT-INIZCTEOSA-N 0 1 256.324 3.558 20 0 CHADMN CC(C)n1cc(CN(C)[C@H](C)c2ccc(F)cc2)cn1 ZINC000179802445 261817099 /nfs/dbraw/zinc/81/70/99/261817099.db2.gz ZIEWTIWZKCBOOB-CYBMUJFWSA-N 0 1 275.371 3.796 20 0 CHADMN CC(=CC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C1CC1 ZINC000179833342 261819089 /nfs/dbraw/zinc/81/90/89/261819089.db2.gz RJGOWDJULSPUTI-SOFGYWHQSA-N 0 1 291.301 3.795 20 0 CHADMN Cc1cncc([C@@H](C)N[C@H]2CCCOc3ccccc32)c1 ZINC000184333937 262016450 /nfs/dbraw/zinc/01/64/50/262016450.db2.gz GKEDCGOLWXSZDU-PBHICJAKSA-N 0 1 282.387 3.955 20 0 CHADMN Cc1cncc([C@@H](C)N[C@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000184327051 262016674 /nfs/dbraw/zinc/01/66/74/262016674.db2.gz SQMWUAZGAUBNPS-AYOQOUSVSA-N 0 1 296.414 3.961 20 0 CHADMN OCC[C@H](NCc1csc2ccccc12)c1ccco1 ZINC000184518939 262022126 /nfs/dbraw/zinc/02/21/26/262022126.db2.gz HGCKXRUKKWXPNJ-AWEZNQCLSA-N 0 1 287.384 3.708 20 0 CHADMN CCCOc1ccc(CN[C@H](CCC)c2cccnc2)cn1 ZINC000185397700 262052864 /nfs/dbraw/zinc/05/28/64/262052864.db2.gz WBDGNIWUOZPHCH-QGZVFWFLSA-N 0 1 299.418 3.896 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3C[C@@H]3C(C)C)c2C)o1 ZINC000185797102 262071724 /nfs/dbraw/zinc/07/17/24/262071724.db2.gz OLMWTEFQHIKXFW-NEPJUHHUSA-N 0 1 287.363 3.517 20 0 CHADMN CCSCCN[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000185963158 262073428 /nfs/dbraw/zinc/07/34/28/262073428.db2.gz QJCXTNNIXIAUCC-QMMMGPOBSA-N 0 1 298.399 3.956 20 0 CHADMN Cc1ccccc1[C@@H](C)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000186002921 262074853 /nfs/dbraw/zinc/07/48/53/262074853.db2.gz DAXUQBDGKIYFMD-GFCCVEGCSA-N 0 1 299.336 3.899 20 0 CHADMN C[C@H](NCc1ncc(-c2ccccc2)cn1)C1CCCC1 ZINC000186060502 262077577 /nfs/dbraw/zinc/07/75/77/262077577.db2.gz TXMXEKVYXZHBBW-AWEZNQCLSA-N 0 1 281.403 3.812 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1ccc(OC)c(F)c1 ZINC000186095523 262078740 /nfs/dbraw/zinc/07/87/40/262078740.db2.gz FHZJHZBKCYIETL-SNVBAGLBSA-N 0 1 295.379 3.755 20 0 CHADMN COc1ccsc1[C@H](C)NCc1cccc(OC)c1 ZINC000186083738 262078814 /nfs/dbraw/zinc/07/88/14/262078814.db2.gz ZSYBQZFGWYJVKP-NSHDSACASA-N 0 1 277.389 3.616 20 0 CHADMN CCC[C@@H](NCc1cc(F)cc(OC)c1)c1cccnc1 ZINC000186216439 262084718 /nfs/dbraw/zinc/08/47/18/262084718.db2.gz FGLBQCDUQCJKGX-QGZVFWFLSA-N 0 1 288.366 3.860 20 0 CHADMN C[C@@H]1CC[C@@H](N[C@@H](CCO)c2ccco2)c2ccccc21 ZINC000186514606 262096135 /nfs/dbraw/zinc/09/61/35/262096135.db2.gz YEELRKHEWDXWLE-XYPHTWIQSA-N 0 1 285.387 3.931 20 0 CHADMN CC[C@H](N[C@@H](CCO)c1ccco1)c1ccc(C)cc1 ZINC000186554889 262098936 /nfs/dbraw/zinc/09/89/36/262098936.db2.gz INPITEGQLZYOMH-HOTGVXAUSA-N 0 1 273.376 3.752 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000368584666 262099159 /nfs/dbraw/zinc/09/91/59/262099159.db2.gz NOIPHYHPZSYTMV-XWCIJXRUSA-N 0 1 286.350 3.702 20 0 CHADMN c1ccc2sc(CN3CCCC4(CC4)C3)nc2c1 ZINC000186954940 262118358 /nfs/dbraw/zinc/11/83/58/262118358.db2.gz MYGXCGUKNTXWMY-UHFFFAOYSA-N 0 1 258.390 3.672 20 0 CHADMN Cc1nc(SC[C@H]2CCCO2)[nH]c1-c1ccccc1 ZINC000187140470 262125624 /nfs/dbraw/zinc/12/56/24/262125624.db2.gz IIUJWVNAOCVBAH-CYBMUJFWSA-N 0 1 274.389 3.656 20 0 CHADMN Cc1cccc(NC(=O)[C@@H](C)N2CCCC(C)(C)C2)c1C ZINC000497372160 262148655 /nfs/dbraw/zinc/14/86/55/262148655.db2.gz RPZCZHZMSGZAKW-OAHLLOKOSA-N 0 1 288.435 3.752 20 0 CHADMN Cc1ccoc1CN(C)Cc1cccc(Br)c1 ZINC000310433394 262156521 /nfs/dbraw/zinc/15/65/21/262156521.db2.gz QPQDRIBVBBQDLR-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN CCc1ncc(C[N@@H+](C)C[C@H](C)c2ccccc2)s1 ZINC000514085446 262159465 /nfs/dbraw/zinc/15/94/65/262159465.db2.gz WBBWXHCLLBCEDX-ZDUSSCGKSA-N 0 1 274.433 3.941 20 0 CHADMN C[C@@H](NCc1ccccn1)c1ccc(OC(F)(F)F)cc1 ZINC000019958071 262207650 /nfs/dbraw/zinc/20/76/50/262207650.db2.gz HJTPTDLQLWVDHV-LLVKDONJSA-N 0 1 296.292 3.831 20 0 CHADMN CC(C)[C@@H](NCc1ccc(F)c(F)c1)c1ccc(F)cn1 ZINC000497818723 262212966 /nfs/dbraw/zinc/21/29/66/262212966.db2.gz WPGCJBAHUINHNG-MRXNPFEDSA-N 0 1 294.320 3.986 20 0 CHADMN C[C@H](NCc1ccccc1OC(F)F)c1ccncc1 ZINC000020131636 262230290 /nfs/dbraw/zinc/23/02/90/262230290.db2.gz ZUPOLHIXMIFSSX-NSHDSACASA-N 0 1 278.302 3.534 20 0 CHADMN CC[C@@H](O)CN(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000525783428 262232446 /nfs/dbraw/zinc/23/24/46/262232446.db2.gz XZTKHYCXUUGGIU-GXSJLCMTSA-N 0 1 276.207 3.757 20 0 CHADMN C[C@H]1CN(Cc2ccccc2Cl)C[C@H](C)S1 ZINC000525786006 262235558 /nfs/dbraw/zinc/23/55/58/262235558.db2.gz BNUXSPMUBVZLEB-QWRGUYRKSA-N 0 1 255.814 3.666 20 0 CHADMN Cc1cccc(NS(=O)(=O)c2cc(C)ccc2Cl)c1 ZINC000498005587 262246439 /nfs/dbraw/zinc/24/64/39/262246439.db2.gz HLLPPRREHLXJCB-UHFFFAOYSA-N 0 1 295.791 3.758 20 0 CHADMN FCCCNC1(c2c(Cl)cccc2Cl)CC1 ZINC000390751913 262251431 /nfs/dbraw/zinc/25/14/31/262251431.db2.gz DMOMSAZHHNZWTD-UHFFFAOYSA-N 0 1 262.155 3.932 20 0 CHADMN Oc1cc(F)cc(CNCc2ccc(C(F)(F)F)cc2)c1 ZINC000184142422 262271509 /nfs/dbraw/zinc/27/15/09/262271509.db2.gz RRZQQNBTBDSSCF-UHFFFAOYSA-N 0 1 299.267 3.840 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C3=CCCCCC3)n2)cc1 ZINC000521519224 262319223 /nfs/dbraw/zinc/31/92/23/262319223.db2.gz LLSWJITYDJETFR-UHFFFAOYSA-N 0 1 296.374 3.609 20 0 CHADMN C[C@H]1C[C@H]1CN(Cc1c(F)cccc1F)C1CC1 ZINC000488528288 262330111 /nfs/dbraw/zinc/33/01/11/262330111.db2.gz AAGXASPWMTZNGQ-QWRGUYRKSA-N 0 1 251.320 3.585 20 0 CHADMN O=C(Nc1ccccc1F)c1c[nH]nc1-c1ccsc1 ZINC000186953366 262331163 /nfs/dbraw/zinc/33/11/63/262331163.db2.gz HTMUZDAUIDRDCM-UHFFFAOYSA-N 0 1 287.319 3.530 20 0 CHADMN C[C@@H]1C[C@@H]1CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000488529571 262332115 /nfs/dbraw/zinc/33/21/15/262332115.db2.gz IZHNVMSCIQXEHA-UXIGCNINSA-N 0 1 299.336 3.735 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H](C)c1ccc(F)cc1 ZINC000187018081 262334689 /nfs/dbraw/zinc/33/46/89/262334689.db2.gz QPJPAXRSBCBQSO-NEPJUHHUSA-N 0 1 274.339 3.641 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cccc(F)c2F)cc1 ZINC000121963069 262341198 /nfs/dbraw/zinc/34/11/98/262341198.db2.gz LYSAELLPQWGYMN-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(F)c(F)c2)ccn1 ZINC000391182646 262385946 /nfs/dbraw/zinc/38/59/46/262385946.db2.gz UWXKLSNXZGDSPI-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(Cl)s1 ZINC000227224269 262386111 /nfs/dbraw/zinc/38/61/11/262386111.db2.gz PCHXSEWHPCJMAH-USWWRNFRSA-N 0 1 299.823 3.619 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccsc2)c(OC)c1 ZINC000061360605 262394785 /nfs/dbraw/zinc/39/47/85/262394785.db2.gz CTWOICVIDAJDHL-LLVKDONJSA-N 0 1 277.389 3.616 20 0 CHADMN CC(C)COC[C@H](NC[C@H]1CCC(C)(C)O1)c1ccco1 ZINC000411509462 262696982 /nfs/dbraw/zinc/69/69/82/262696982.db2.gz DBGRWYAWMNCEIZ-CABCVRRESA-N 0 1 295.423 3.541 20 0 CHADMN COc1ccc2nc(S[C@H]3CCOC(C)(C)C3)[nH]c2c1 ZINC000412981296 262750017 /nfs/dbraw/zinc/75/00/17/262750017.db2.gz GIBDWBUPICXTME-NSHDSACASA-N 0 1 292.404 3.621 20 0 CHADMN COC(=O)c1cnc([C@H](C)NCCCCC(C)(C)C)s1 ZINC000414078475 262802209 /nfs/dbraw/zinc/80/22/09/262802209.db2.gz RAWSPHNUOWRGQC-NSHDSACASA-N 0 1 298.452 3.797 20 0 CHADMN C[C@@H]1C[C@H](CN[C@@H](CCc2ccccc2)C(F)F)[C@H](C)O1 ZINC000414249382 262823675 /nfs/dbraw/zinc/82/36/75/262823675.db2.gz FGHJJVFVOOKFCL-CLWVCHIJSA-N 0 1 297.389 3.656 20 0 CHADMN FC(F)(F)c1ccnc(CN[C@@H]2CCC[C@@H](C3CC3)C2)n1 ZINC000414260218 262832052 /nfs/dbraw/zinc/83/20/52/262832052.db2.gz QPIRFLBBFVRITF-VXGBXAGGSA-N 0 1 299.340 3.554 20 0 CHADMN CCc1ccc([C@H](NCc2ccc(C)nn2)C(C)C)cc1 ZINC000414273714 262834317 /nfs/dbraw/zinc/83/43/17/262834317.db2.gz ZPTMIAJOFRFXLJ-GOSISDBHSA-N 0 1 283.419 3.834 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1cccc(F)c1F ZINC000414280784 262835061 /nfs/dbraw/zinc/83/50/61/262835061.db2.gz DUPIYUSSYLVJNN-IRUJWGPZSA-N 0 1 257.299 3.896 20 0 CHADMN C[C@@H]1CCc2nc(CN[C@@H]3C[C@H]3c3ccco3)sc2C1 ZINC000414583930 263000091 /nfs/dbraw/zinc/00/00/91/263000091.db2.gz MKPVWIDRDGJPPI-NQBHXWOUSA-N 0 1 288.416 3.507 20 0 CHADMN C[C@H](O)[C@H]1CCN([C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000272555069 263006468 /nfs/dbraw/zinc/00/64/68/263006468.db2.gz LDDRJRPSQZNCRA-DCAQKATOSA-N 0 1 288.218 3.757 20 0 CHADMN Cc1csc(-c2nc([C@H](N)CC(C)C)no2)c1Cl ZINC000414610393 263009190 /nfs/dbraw/zinc/00/91/90/263009190.db2.gz AXQYRZQDPVQEIN-MRVPVSSYSA-N 0 1 285.800 3.806 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2ccc(C(C)C)cc2O)n1 ZINC000414611961 263009479 /nfs/dbraw/zinc/00/94/79/263009479.db2.gz CKOKKZRKPXDFTO-CYBMUJFWSA-N 0 1 289.379 3.612 20 0 CHADMN CC(C)C[C@H](N)c1noc(CC/C=C\c2ccccc2)n1 ZINC000414613714 263009638 /nfs/dbraw/zinc/00/96/38/263009638.db2.gz GCBIXXJPJKTVME-MLBQELRYSA-N 0 1 285.391 3.762 20 0 CHADMN CCC(CC)[C@@H](C)c1nc([C@@H](N)CC(C)C)no1 ZINC000414611570 263009658 /nfs/dbraw/zinc/00/96/58/263009658.db2.gz CJVXABJVBVZBFL-PWSUYJOCSA-N 0 1 253.390 3.655 20 0 CHADMN Cc1cc(Cl)cc(-c2nc([C@H](N)CC(C)C)no2)c1 ZINC000414617091 263010643 /nfs/dbraw/zinc/01/06/43/263010643.db2.gz IQDCTQYAACRNRI-GFCCVEGCSA-N 0 1 279.771 3.744 20 0 CHADMN CC(C)C[C@H](N)c1noc(/C=C/c2ccc(F)c(F)c2)n1 ZINC000414615918 263010992 /nfs/dbraw/zinc/01/09/92/263010992.db2.gz JHOPGSUCRHVLJZ-BPJJOFIESA-N 0 1 293.317 3.564 20 0 CHADMN CCc1cc(-c2nc([C@H](N)CC(C)C)no2)oc1CC ZINC000414618615 263011895 /nfs/dbraw/zinc/01/18/95/263011895.db2.gz MVDYJKWDBYNSGQ-LLVKDONJSA-N 0 1 277.368 3.500 20 0 CHADMN CCc1ccccc1[C@@H]1C[C@H]1c1nc([C@H](N)CC(C)C)no1 ZINC000414618794 263012533 /nfs/dbraw/zinc/01/25/33/263012533.db2.gz NFYFMMUEDACJSQ-ARFHVFGLSA-N 0 1 299.418 3.949 20 0 CHADMN C[C@@H]1C[C@H](c2nc(C3(N)CCCC3)no2)CC(C)(C)C1 ZINC000414624811 263014923 /nfs/dbraw/zinc/01/49/23/263014923.db2.gz HGNURIFYADHXEG-NEPJUHHUSA-N 0 1 277.412 3.727 20 0 CHADMN NC1(c2noc(/C=C\c3ccc(C4CC4)cc3)n2)CCCC1 ZINC000414630573 263017212 /nfs/dbraw/zinc/01/72/12/263017212.db2.gz UPXMOTVCEPZZQG-YHYXMXQVSA-N 0 1 295.386 3.845 20 0 CHADMN C[C@H]1CCC(C)(C)N1Cc1csc(C2CC2)n1 ZINC000452010098 263023742 /nfs/dbraw/zinc/02/37/42/263023742.db2.gz QGHQUKWNZAYDQV-JTQLQIEISA-N 0 1 250.411 3.783 20 0 CHADMN CCCCOc1ccc(C[N@@H+](CC(=O)[O-])[C@H](C)CC)cc1 ZINC000414680257 263031491 /nfs/dbraw/zinc/03/14/91/263031491.db2.gz LBWYMLVISUCKFQ-CQSZACIVSA-N 0 1 293.407 3.551 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2cc(C)oc2C)n[nH]1 ZINC000278871388 263051662 /nfs/dbraw/zinc/05/16/62/263051662.db2.gz WZOHHJANERXWJM-ZMLRMANQSA-N 0 1 290.411 3.940 20 0 CHADMN CC(C)c1cnc(CNC[C@@]2(O)CCCC(C)(C)C2)s1 ZINC000438363754 263054356 /nfs/dbraw/zinc/05/43/56/263054356.db2.gz IJSMQVVFGXLITC-MRXNPFEDSA-N 0 1 296.480 3.687 20 0 CHADMN Cc1ccc(CNC(C)(C)c2c(C)noc2C)s1 ZINC000285498594 263093372 /nfs/dbraw/zinc/09/33/72/263093372.db2.gz MZHUYRVCUKYROP-UHFFFAOYSA-N 0 1 264.394 3.686 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1Cc1nc(Cc2ccccc2C)no1 ZINC000430505367 263125213 /nfs/dbraw/zinc/12/52/13/263125213.db2.gz QBKVPEDTVOGEFZ-CZUORRHYSA-N 0 1 299.418 3.589 20 0 CHADMN COC(=O)c1ccc(CN[C@@H]2CCCc3ccc(C)cc32)o1 ZINC000292715536 263134338 /nfs/dbraw/zinc/13/43/38/263134338.db2.gz DQNMOMYSJALYQR-MRXNPFEDSA-N 0 1 299.370 3.542 20 0 CHADMN CCc1noc(C)c1CN[C@H]1C[C@H](C)c2ccccc21 ZINC000293609797 263144251 /nfs/dbraw/zinc/14/42/51/263144251.db2.gz FADYNCXTHBRVGK-GTNSWQLSSA-N 0 1 270.376 3.884 20 0 CHADMN Cc1[nH]ncc1CN1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000293865974 263151492 /nfs/dbraw/zinc/15/14/92/263151492.db2.gz IPTFIMLRXNXIKK-ZDUSSCGKSA-N 0 1 295.308 3.774 20 0 CHADMN CC(C)(O)c1ccc(CNC2(c3cccc(F)c3)CC2)cc1 ZINC000295359985 263176468 /nfs/dbraw/zinc/17/64/68/263176468.db2.gz JEEDPCCGKRLDAU-UHFFFAOYSA-N 0 1 299.389 3.832 20 0 CHADMN COc1nccc(CN[C@H](c2ccccc2C)C(C)(C)C)n1 ZINC000295886429 263183451 /nfs/dbraw/zinc/18/34/51/263183451.db2.gz YGIMPMRIWQLSFO-MRXNPFEDSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1cccc([C@@H](C)N[C@H](C)c2ccncn2)c1C ZINC000453117062 263190960 /nfs/dbraw/zinc/19/09/60/263190960.db2.gz IVDJKDLHQYRHNA-ZIAGYGMSSA-N 0 1 255.365 3.505 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H]1C[C@@H](C)n3ccnc31)CCC2 ZINC000297330616 263203431 /nfs/dbraw/zinc/20/34/31/263203431.db2.gz NXROGHIZZNZZJM-COXVUDFISA-N 0 1 281.403 3.865 20 0 CHADMN C[C@H](NC[C@H]1CCC(C)(C)O1)c1nc2c(s1)CCCC2 ZINC000187869705 263282725 /nfs/dbraw/zinc/28/27/25/263282725.db2.gz XTJLERCAUBBDAT-NWDGAFQWSA-N 0 1 294.464 3.630 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1cccc2ccccc21 ZINC000187894475 263291037 /nfs/dbraw/zinc/29/10/37/263291037.db2.gz QXZFUCSAZUJLQA-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN C[C@@H]1c2ccsc2CCN1CCCC(=O)OC(C)(C)C ZINC000342700553 263465824 /nfs/dbraw/zinc/46/58/24/263465824.db2.gz XFBYOKMJMPUVQJ-GFCCVEGCSA-N 0 1 295.448 3.789 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2c(F)cc(C)cc2F)C1 ZINC000425334867 264011834 /nfs/dbraw/zinc/01/18/34/264011834.db2.gz HMYMWSZURVBREC-CYBMUJFWSA-N 0 1 283.362 3.522 20 0 CHADMN CO[C@]1(C)CCCN(Cc2c(F)cc(C)cc2F)CC1 ZINC000425343495 264016137 /nfs/dbraw/zinc/01/61/37/264016137.db2.gz RRZQRGLBYNEQST-MRXNPFEDSA-N 0 1 283.362 3.664 20 0 CHADMN CCN(C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1)C(C)C ZINC000188500511 264026612 /nfs/dbraw/zinc/02/66/12/264026612.db2.gz WKAYDFPQHATDIE-UHFFFAOYSA-N 0 1 285.391 3.564 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H](c2ccccc2)C(C)(C)C)c1C ZINC000330790952 264054116 /nfs/dbraw/zinc/05/41/16/264054116.db2.gz AHNJILXRIXSSAQ-OAHLLOKOSA-N 0 1 285.391 3.544 20 0 CHADMN Cc1nc(CN[C@@H](CC(N)=O)C2CCCCC2)c(C)s1 ZINC000330873147 264059170 /nfs/dbraw/zinc/05/91/70/264059170.db2.gz VCBFILYFMUKEIA-ZDUSSCGKSA-N 0 1 295.452 3.724 20 0 CHADMN CS[C@H]1CC[C@H]1NCc1nc(C(C)C)c(C)s1 ZINC000425353950 264126360 /nfs/dbraw/zinc/12/63/60/264126360.db2.gz NPKHEZLNUCZKON-MNOVXSKESA-N 0 1 270.467 3.559 20 0 CHADMN CC(C)n1cncc1CN1CC(c2ccccc2)(C(C)C)C1 ZINC000425372097 264202321 /nfs/dbraw/zinc/20/23/21/264202321.db2.gz RQNUHIXWNTUFSD-UHFFFAOYSA-N 0 1 297.446 3.874 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H]1CCc2cc(F)ccc21 ZINC000188786896 264241669 /nfs/dbraw/zinc/24/16/69/264241669.db2.gz CNUJNKSOLKHGFL-BZNIZROVSA-N 0 1 286.350 3.567 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H](C)c1sc(C)nc1C ZINC000188786776 264242441 /nfs/dbraw/zinc/24/24/41/264242441.db2.gz OKKBSLJUOVYDKG-NXEZZACHSA-N 0 1 291.420 3.575 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000071737764 264256182 /nfs/dbraw/zinc/25/61/82/264256182.db2.gz WJUZRYXHNJPCSY-HNNXBMFYSA-N 0 1 283.371 3.725 20 0 CHADMN C[N@@H+](C/C=C/c1ccncc1)Cc1cc(F)cc(F)c1 ZINC000425992171 264280234 /nfs/dbraw/zinc/28/02/34/264280234.db2.gz BEHKLFUNGFEEIJ-NSCUHMNNSA-N 0 1 274.314 3.505 20 0 CHADMN CN(C/C=C/c1ccncc1)Cc1cc(F)cc(F)c1 ZINC000425992171 264280236 /nfs/dbraw/zinc/28/02/36/264280236.db2.gz BEHKLFUNGFEEIJ-NSCUHMNNSA-N 0 1 274.314 3.505 20 0 CHADMN CN(Cc1ccncc1Cl)CC1(c2ccccc2)CC1 ZINC000189322229 264294598 /nfs/dbraw/zinc/29/45/98/264294598.db2.gz LZSIRJJSIGRVDH-UHFFFAOYSA-N 0 1 286.806 3.899 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1N[C@@H](C)c1nc(C(C)C)no1 ZINC000189492979 264302571 /nfs/dbraw/zinc/30/25/71/264302571.db2.gz HNPJCXTUDJQPEH-YNEHKIRRSA-N 0 1 297.468 3.908 20 0 CHADMN CO[C@H](CN1CC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000425427340 264314996 /nfs/dbraw/zinc/31/49/96/264314996.db2.gz UIMWGXOFXHFRAO-HUUCEWRRSA-N 0 1 265.784 3.512 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1NCc1nc(C2CCCC2)no1 ZINC000163362707 264351847 /nfs/dbraw/zinc/35/18/47/264351847.db2.gz LZXYRSHFGYQYPX-OCCSQVGLSA-N 0 1 277.412 3.786 20 0 CHADMN CO[C@@H](C)CN(Cc1coc(-c2ccccc2)n1)C(C)C ZINC000353783522 264367532 /nfs/dbraw/zinc/36/75/32/264367532.db2.gz XZPOGVNMYHQQMA-AWEZNQCLSA-N 0 1 288.391 3.587 20 0 CHADMN CC(C)c1nc([C@H](C)NCC2([C@H](O)C(C)C)CC2)cs1 ZINC000346536777 265112541 /nfs/dbraw/zinc/11/25/41/265112541.db2.gz RELCTCGCKAXNNV-GXTWGEPZSA-N 0 1 296.480 3.714 20 0 CHADMN CCC1CCN([C@H](C)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000518851955 265183902 /nfs/dbraw/zinc/18/39/02/265183902.db2.gz HHBUQYDDBSXFEZ-OAHLLOKOSA-N 0 1 288.435 3.752 20 0 CHADMN CC1(Cc2noc(-c3cc4cccnc4[nH]3)n2)CCCC1 ZINC000519123892 265325302 /nfs/dbraw/zinc/32/53/02/265325302.db2.gz FQMKRWOMXGCPDX-UHFFFAOYSA-N 0 1 282.347 3.736 20 0 CHADMN CCCCN(CC)C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000519147969 265337701 /nfs/dbraw/zinc/33/77/01/265337701.db2.gz ZZDLOBZIQPFARL-KRWDZBQOSA-N 0 1 290.451 3.718 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@@H](C)c1cn2ccccc2n1 ZINC000519423380 265432267 /nfs/dbraw/zinc/43/22/67/265432267.db2.gz FBTCTNAOKYYXCJ-WDEREUQCSA-N 0 1 285.313 3.716 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000519758125 265579522 /nfs/dbraw/zinc/57/95/22/265579522.db2.gz HVSLQSQWTQIGMM-HNNXBMFYSA-N 0 1 293.794 3.682 20 0 CHADMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1ccco1 ZINC000353165731 266035212 /nfs/dbraw/zinc/03/52/12/266035212.db2.gz UOVIEOFNOLAIPC-XHDPSFHLSA-N 0 1 279.767 3.799 20 0 CHADMN Cc1cnc([C@H](Nc2ccnc(C)c2Cl)C2CC2)s1 ZINC000353162098 266035252 /nfs/dbraw/zinc/03/52/52/266035252.db2.gz IBFNLVZAXTWYGG-CYBMUJFWSA-N 0 1 293.823 3.793 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2/C=C/c2ccccc2)on1 ZINC000356350737 266100363 /nfs/dbraw/zinc/10/03/63/266100363.db2.gz FQSMEUZYRHHURP-ZNFPLGDCSA-N 0 1 268.360 3.661 20 0 CHADMN O=C(Nc1cccc2ccsc21)c1cn[nH]c1C1CC1 ZINC000356387973 266106573 /nfs/dbraw/zinc/10/65/73/266106573.db2.gz IIJRSUFBSDHSNV-UHFFFAOYSA-N 0 1 283.356 3.754 20 0 CHADMN CC(C)CC1(C)CCN(C(=O)c2ccc3cncn3c2)CC1 ZINC000356462083 266119447 /nfs/dbraw/zinc/11/94/47/266119447.db2.gz YGGVBSVTOSPUEL-UHFFFAOYSA-N 0 1 299.418 3.623 20 0 CHADMN Cc1cnn([C@H]2CCN(Cc3ccc(Cl)c(C)c3)C2)c1 ZINC000356529229 266131560 /nfs/dbraw/zinc/13/15/60/266131560.db2.gz QRZONIYGRANWGV-HNNXBMFYSA-N 0 1 289.810 3.600 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cnccc2C)cc1F ZINC000356667782 266156964 /nfs/dbraw/zinc/15/69/64/266156964.db2.gz BGBTZGXPNJKVRH-CHWSQXEVSA-N 0 1 288.366 3.950 20 0 CHADMN COCC[C@H](N[C@@H]1CCc2c1cccc2C)c1ccco1 ZINC000356839478 266186134 /nfs/dbraw/zinc/18/61/34/266186134.db2.gz IUSRCMCFLZXZRD-SJORKVTESA-N 0 1 285.387 3.943 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CC[C@@H](C)C3(CCC3)C2)c1 ZINC000356878546 266202464 /nfs/dbraw/zinc/20/24/64/266202464.db2.gz PVGDXPCXFZSZLB-CYBMUJFWSA-N 0 1 297.402 3.524 20 0 CHADMN CC[C@]1(C)C[C@H]1c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000356922423 266211291 /nfs/dbraw/zinc/21/12/91/266211291.db2.gz NFAZNOXBURVPAP-MEDUHNTESA-N 0 1 282.347 3.825 20 0 CHADMN CCN(CCOC)Cc1ccc(Oc2ccccc2)o1 ZINC000356935231 266213757 /nfs/dbraw/zinc/21/37/57/266213757.db2.gz ZDHKYTYWMJHNOB-UHFFFAOYSA-N 0 1 275.348 3.540 20 0 CHADMN C(=Cc1nc(-c2ccc3[nH]cnc3c2)no1)c1ccsc1 ZINC000356974285 266221054 /nfs/dbraw/zinc/22/10/54/266221054.db2.gz YVCZQZRVOGYXLB-DAFODLJHSA-N 0 1 294.339 3.845 20 0 CHADMN Cc1nc(CN(C)C[C@H]2CCC[C@@H](C)C2)cs1 ZINC000357005377 266230102 /nfs/dbraw/zinc/23/01/02/266230102.db2.gz AZSMXNNBTHAOHI-YPMHNXCESA-N 0 1 252.427 3.710 20 0 CHADMN CC(C)COc1cccc(CN(C)Cc2cccnc2)c1 ZINC000357213092 266266297 /nfs/dbraw/zinc/26/62/97/266266297.db2.gz LKUKZSJOMROEBB-UHFFFAOYSA-N 0 1 284.403 3.748 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CCC[C@]2(CC=CCC2)C1 ZINC000114438884 266267964 /nfs/dbraw/zinc/26/79/64/266267964.db2.gz PABFMJIYWRZALX-GOSISDBHSA-N 0 1 295.386 3.525 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCCN(Cc1cccnc1)C1CC1 ZINC000357394517 266290205 /nfs/dbraw/zinc/29/02/05/266290205.db2.gz WHTQQNXULDREMU-CRAIPNDOSA-N 0 1 288.435 3.641 20 0 CHADMN COc1cccc(C2(CNc3cccc(C)n3)CC2)c1 ZINC000357537558 266317064 /nfs/dbraw/zinc/31/70/64/266317064.db2.gz TVYKFPLCHJRQQL-UHFFFAOYSA-N 0 1 268.360 3.542 20 0 CHADMN CCOc1cc(C)ccc1CN[C@H](C)c1cnccc1C ZINC000357777401 266359277 /nfs/dbraw/zinc/35/92/77/266359277.db2.gz IXSOXKLIAGINDA-OAHLLOKOSA-N 0 1 284.403 3.948 20 0 CHADMN C[C@@H](N[C@@H](C)c1nccs1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000358394285 266458967 /nfs/dbraw/zinc/45/89/67/266458967.db2.gz GHUWTMWRSAAYTB-MCYUEQNJSA-N 0 1 288.416 3.747 20 0 CHADMN CSc1ccc(F)cc1CN[C@@H](C)c1cncs1 ZINC000361806176 266887303 /nfs/dbraw/zinc/88/73/03/266887303.db2.gz YVOFSNMTCUIBSV-VIFPVBQESA-N 0 1 282.409 3.855 20 0 CHADMN Cc1ccc(NC(=O)NCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000362566979 267008379 /nfs/dbraw/zinc/00/83/79/267008379.db2.gz IWYSVCPONSFSPL-UHFFFAOYSA-N 0 1 294.358 3.501 20 0 CHADMN Cc1ccc2nc(CNC(=O)Nc3cccc(C)c3)[nH]c2c1 ZINC000362569342 267008489 /nfs/dbraw/zinc/00/84/89/267008489.db2.gz XMYSGYOHSWTIKX-UHFFFAOYSA-N 0 1 294.358 3.501 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3cccc(F)c3C)[nH]n2)o1 ZINC000362691711 267036246 /nfs/dbraw/zinc/03/62/46/267036246.db2.gz UAHYUDFCBASPLP-UHFFFAOYSA-N 0 1 299.305 3.678 20 0 CHADMN COc1ncccc1CN1CCC[C@@H]1c1cccc(C)c1 ZINC000362954082 267066264 /nfs/dbraw/zinc/06/62/64/267066264.db2.gz GOOQJXNXXJOZGE-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN COc1ncccc1CN1CCC[C@@H]1c1ccc(C)cc1 ZINC000362954726 267066977 /nfs/dbraw/zinc/06/69/77/267066977.db2.gz NAYJMPBSQXIBBR-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN COCCSCCC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000362955331 267067733 /nfs/dbraw/zinc/06/77/33/267067733.db2.gz QLQAXPXYCHGVLT-INIZCTEOSA-N 0 1 297.439 3.732 20 0 CHADMN CCn1cncc1CN1CCC[C@@H]1c1ccc(F)cc1C ZINC000418116002 267098509 /nfs/dbraw/zinc/09/85/09/267098509.db2.gz PNAIATVHPJCLNF-QGZVFWFLSA-N 0 1 287.382 3.688 20 0 CHADMN COc1cccc2c1OCC[C@H]2N[C@H]1CCCc2occc21 ZINC000368446109 267172988 /nfs/dbraw/zinc/17/29/88/267172988.db2.gz UKVWATKKFWAREX-LSDHHAIUSA-N 0 1 299.370 3.779 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2C[C@H]3CCCC[C@H]32)c(C)c1 ZINC000368682848 267197443 /nfs/dbraw/zinc/19/74/43/267197443.db2.gz LXTJYOSQHJHBDD-ZMSDIMECSA-N 0 1 286.419 3.505 20 0 CHADMN Cc1csc(C(C)(C)NCCOc2cccc(C)c2)n1 ZINC000118849386 267274629 /nfs/dbraw/zinc/27/46/29/267274629.db2.gz YHVCWLDPKWDDQX-UHFFFAOYSA-N 0 1 290.432 3.664 20 0 CHADMN Fc1ccc([C@@H]2CCCN2Cc2ccncc2)cc1 ZINC000118888414 267275600 /nfs/dbraw/zinc/27/56/00/267275600.db2.gz CYCFOMLIZQUXNX-INIZCTEOSA-N 0 1 256.324 3.558 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccc2c(c1)CCC2 ZINC000370049854 267286149 /nfs/dbraw/zinc/28/61/49/267286149.db2.gz LKYZMVUPJDCUBA-PXAZEXFGSA-N 0 1 281.403 3.627 20 0 CHADMN C[C@@H](c1ccco1)N(Cc1ccc2c(c1)CCO2)C1CC1 ZINC000119268856 267313839 /nfs/dbraw/zinc/31/38/39/267313839.db2.gz GKZQFMNAHIRXNG-ZDUSSCGKSA-N 0 1 283.371 3.940 20 0 CHADMN Clc1cc2cccnc2c(CNCc2ccco2)c1 ZINC000119497464 267339091 /nfs/dbraw/zinc/33/90/91/267339091.db2.gz WAUCDMSUOMHGJO-UHFFFAOYSA-N 0 1 272.735 3.771 20 0 CHADMN Cc1cc(NC(=O)[C@@H]2CCCN2C2CC2)cc(C)c1Cl ZINC000443177408 267383596 /nfs/dbraw/zinc/38/35/96/267383596.db2.gz YPMLTVDVAGZKFT-AWEZNQCLSA-N 0 1 292.810 3.522 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN2CCC(OCC3CC3)CC2)o1 ZINC000371333969 267392242 /nfs/dbraw/zinc/39/22/42/267392242.db2.gz FOXJKPNFSXMLHL-CXAGYDPISA-N 0 1 289.419 3.794 20 0 CHADMN Cc1nc(CN2CCC[C@H](Cc3ccccc3)C2)oc1C ZINC000371548358 267426189 /nfs/dbraw/zinc/42/61/89/267426189.db2.gz IJNXFMAEJHIRPV-QGZVFWFLSA-N 0 1 284.403 3.746 20 0 CHADMN Cc1ccccc1NC(=O)c1cn[nH]c1-c1ccccc1 ZINC000121263067 267590211 /nfs/dbraw/zinc/59/02/11/267590211.db2.gz ZWJCONUELZZVSI-UHFFFAOYSA-N 0 1 277.327 3.637 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1ncc(-c2cccs2)o1 ZINC000123293881 268020898 /nfs/dbraw/zinc/02/08/98/268020898.db2.gz CKFAPLQSLOSEQK-GHMZBOCLSA-N 0 1 262.378 3.776 20 0 CHADMN CC(C)N(Cc1cc(Cl)ccc1Cl)C[C@@H](C)O ZINC000353387491 528936108 /nfs/dbraw/zinc/93/61/08/528936108.db2.gz LAYATRXNWNAOOU-SNVBAGLBSA-N 0 1 276.207 3.585 20 0 CHADMN CCC[C@@H](NCc1cccc(OC)n1)c1ccccc1 ZINC000178753559 327737582 /nfs/dbraw/zinc/73/75/82/327737582.db2.gz OJSZWCCAZNIEKL-MRXNPFEDSA-N 0 1 270.376 3.721 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](CO)c2cccc(F)c2)c(C)c1 ZINC000537983660 327743829 /nfs/dbraw/zinc/74/38/29/327743829.db2.gz TWNGZAOGFLGWLM-RDTXWAMCSA-N 0 1 287.378 3.827 20 0 CHADMN Brc1ccc(CN2C[C@H]3CCCC[C@@H]3C2)o1 ZINC000378909278 327765770 /nfs/dbraw/zinc/76/57/70/327765770.db2.gz IHYVNRURPICDDV-GHMZBOCLSA-N 0 1 284.197 3.664 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(C)c(C)n2)cc1F ZINC000313835885 327771508 /nfs/dbraw/zinc/77/15/08/327771508.db2.gz PAAWARRBNXMGKG-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN CCn1cc(CN[C@@H](C)c2cccc(OC(C)C)c2)cn1 ZINC000112096595 327776776 /nfs/dbraw/zinc/77/67/76/327776776.db2.gz HDCJXAHHNJCUHN-AWEZNQCLSA-N 0 1 287.407 3.541 20 0 CHADMN Cc1cccc(C(C)(C)NCc2ncccc2C)c1 ZINC000179594302 327802809 /nfs/dbraw/zinc/80/28/09/327802809.db2.gz USBXFZJGOYCBJB-UHFFFAOYSA-N 0 1 254.377 3.723 20 0 CHADMN CCCn1ccc(CNc2ccc3c(c2)nc(C)n3C)c1 ZINC000582097436 327851384 /nfs/dbraw/zinc/85/13/84/327851384.db2.gz VFYAOADROAAVJA-UHFFFAOYSA-N 0 1 282.391 3.705 20 0 CHADMN C/C(Cl)=C\CN[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000528453145 327870768 /nfs/dbraw/zinc/87/07/68/327870768.db2.gz XXIPWFUQJCMJKL-HUYFXPKMSA-N 0 1 269.820 3.740 20 0 CHADMN Cn1cc([C@H](NCc2ccccc2Cl)C(C)(C)C)cn1 ZINC000531445806 327908402 /nfs/dbraw/zinc/90/84/02/327908402.db2.gz WGNPDNNTSSJZNA-HNNXBMFYSA-N 0 1 291.826 3.951 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000563276851 328006832 /nfs/dbraw/zinc/00/68/32/328006832.db2.gz DQHBVTQIKVBEMV-SJORKVTESA-N 0 1 289.419 3.755 20 0 CHADMN CCC(CC)[N@@H+](Cc1ccccc1C(=O)[O-])C1CC1 ZINC000563278812 328006836 /nfs/dbraw/zinc/00/68/36/328006836.db2.gz NHJWHGFTRBZISX-UHFFFAOYSA-N 0 1 261.365 3.538 20 0 CHADMN C[N@@H+](CCCCC(=O)[O-])C1c2ccccc2-c2ccccc21 ZINC000563282208 328007407 /nfs/dbraw/zinc/00/74/07/328007407.db2.gz FYPMSTYYPWVVMZ-UHFFFAOYSA-N 0 1 295.382 3.943 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000563282049 328007479 /nfs/dbraw/zinc/00/74/79/328007479.db2.gz DXJXSBJQCLDFSZ-ZDUSSCGKSA-N 0 1 281.421 3.847 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc1 ZINC000563288201 328009088 /nfs/dbraw/zinc/00/90/88/328009088.db2.gz DELLJABYIWSPJZ-QWQRMKEZSA-N 0 1 289.419 3.914 20 0 CHADMN CC(C)c1ccc([C@@H](C)[N@H+]2C[C@@H](C)[C@@](C)(C(=O)[O-])C2)cc1 ZINC000563288199 328009154 /nfs/dbraw/zinc/00/91/54/328009154.db2.gz DELLJABYIWSPJZ-LBTNJELSSA-N 0 1 289.419 3.914 20 0 CHADMN Cc1cc(Cl)cc(CNCc2ccc3cc[nH]c3n2)c1 ZINC000339410938 328010208 /nfs/dbraw/zinc/01/02/08/328010208.db2.gz IOGWDWVVZRTTNT-UHFFFAOYSA-N 0 1 285.778 3.815 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc3c2OCO3)cc1C ZINC000040667038 328015245 /nfs/dbraw/zinc/01/52/45/328015245.db2.gz HCSRMVYTSWTGJO-AWEZNQCLSA-N 0 1 283.371 3.883 20 0 CHADMN CSCCN(C)[C@H](C)c1ccccc1Br ZINC000531713513 328027966 /nfs/dbraw/zinc/02/79/66/328027966.db2.gz CXHCSABHMKYOGM-SNVBAGLBSA-N 0 1 288.254 3.805 20 0 CHADMN CC(C)Oc1cccc(CN2CCOCC23CCCC3)c1 ZINC000534228587 328040104 /nfs/dbraw/zinc/04/01/04/328040104.db2.gz AIRCLBCYZXXPAS-UHFFFAOYSA-N 0 1 289.419 3.619 20 0 CHADMN c1sc2ccccc2c1CNCc1cccc2c1OCO2 ZINC000048068592 328040815 /nfs/dbraw/zinc/04/08/15/328040815.db2.gz NXTVSJFAJFIGIR-UHFFFAOYSA-N 0 1 297.379 3.920 20 0 CHADMN COCCN(C/C=C\c1ccccc1)Cc1ccc(C)o1 ZINC000531842823 328045024 /nfs/dbraw/zinc/04/50/24/328045024.db2.gz GYYRWJIIRJGRPF-TWGQIWQCSA-N 0 1 285.387 3.750 20 0 CHADMN CCc1nc(CN(C)C[C@@H]2C[C@H]2c2ccccc2)cs1 ZINC000534349646 328047604 /nfs/dbraw/zinc/04/76/04/328047604.db2.gz NQOHGWSAOMDDRK-HOCLYGCPSA-N 0 1 286.444 3.941 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](CC[C@H]1C[C@H](C)C[C@H](C)C1)C1CCC1 ZINC000563455222 328067626 /nfs/dbraw/zinc/06/76/26/328067626.db2.gz KWZNLTJKSRVMEC-LJISPDSOSA-N 0 1 281.440 3.776 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])s2)[C@@H]2CCCC[C@@H]12 ZINC000571171963 328090578 /nfs/dbraw/zinc/09/05/78/328090578.db2.gz GWHRVXHHMFACEK-KWCYVHTRSA-N 0 1 293.432 3.847 20 0 CHADMN CC[C@@H](C)N(C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000170953433 329072721 /nfs/dbraw/zinc/07/27/21/329072721.db2.gz MWILWPLTDGYQOI-SNVBAGLBSA-N 0 1 279.771 3.620 20 0 CHADMN CC[C@H](Cc1nc(C2(N)CCCC2)no1)c1ccccc1 ZINC000571283548 328097532 /nfs/dbraw/zinc/09/75/32/328097532.db2.gz RHSXFZYUZZVDNN-CYBMUJFWSA-N 0 1 285.391 3.534 20 0 CHADMN CC(C)c1nc(CN(CC(F)F)C(C)C)c2ccccn21 ZINC000571290626 328098705 /nfs/dbraw/zinc/09/87/05/328098705.db2.gz POQWRZVNCNLKHG-UHFFFAOYSA-N 0 1 295.377 3.933 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](CC)Cc1cccc(Cl)c1 ZINC000583698577 329069301 /nfs/dbraw/zinc/06/93/01/329069301.db2.gz HPRMRPSPMYOSAG-CQSZACIVSA-N 0 1 283.799 3.805 20 0 CHADMN C[C@@H]1CC(C)(C)CN1Cc1ccn(C2CCCC2)n1 ZINC000412033806 328101765 /nfs/dbraw/zinc/10/17/65/328101765.db2.gz DPUCNFGHMPAVOE-CYBMUJFWSA-N 0 1 261.413 3.619 20 0 CHADMN CC[C@@H]1CC[C@H]1Nc1ccccc1CN1CCSCC1 ZINC000571311529 328104474 /nfs/dbraw/zinc/10/44/74/328104474.db2.gz LGRFCDHSRKDLKB-RHSMWYFYSA-N 0 1 290.476 3.836 20 0 CHADMN CCN(Cc1ncccc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000528503146 328107849 /nfs/dbraw/zinc/10/78/49/328107849.db2.gz IGLKRCIYFXVECK-GFCCVEGCSA-N 0 1 282.815 3.515 20 0 CHADMN CCc1ccc(CNCc2ccc(OC)cc2F)s1 ZINC000229742559 328114683 /nfs/dbraw/zinc/11/46/83/328114683.db2.gz FGHHRGNIXUFXHY-UHFFFAOYSA-N 0 1 279.380 3.748 20 0 CHADMN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)[O-])s2)C1 ZINC000571410490 328120073 /nfs/dbraw/zinc/12/00/73/328120073.db2.gz SSEBRSYVIHQFJI-MNOVXSKESA-N 0 1 299.461 3.552 20 0 CHADMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)[O-])s2)C1 ZINC000571410484 328120129 /nfs/dbraw/zinc/12/01/29/328120129.db2.gz SSEBRSYVIHQFJI-GHMZBOCLSA-N 0 1 299.461 3.552 20 0 CHADMN Cc1ncncc1[C@@H](C)NCc1ccc(C(C)(F)F)cc1 ZINC000571462427 328123454 /nfs/dbraw/zinc/12/34/54/328123454.db2.gz SOXHMUYNROOBLQ-LLVKDONJSA-N 0 1 291.345 3.748 20 0 CHADMN CCN(C(=O)c1cnc(-c2ccccc2)[nH]1)[C@@H](C)C(C)C ZINC000571534019 328132363 /nfs/dbraw/zinc/13/23/63/328132363.db2.gz DQNGRLTYDIPFBZ-ZDUSSCGKSA-N 0 1 285.391 3.583 20 0 CHADMN C[C@@H]1C[C@H](CNc2ccnc3cc(F)ccc32)[C@H](C)O1 ZINC000413529950 328148647 /nfs/dbraw/zinc/14/86/47/328148647.db2.gz JFZNRSRCGVWEIA-GRYCIOLGSA-N 0 1 274.339 3.599 20 0 CHADMN CCCCOc1ccccc1CNc1nccn1CC ZINC000414307680 328154426 /nfs/dbraw/zinc/15/44/26/328154426.db2.gz VDSXOVXDLXFWGJ-UHFFFAOYSA-N 0 1 273.380 3.694 20 0 CHADMN CCc1ncc(CN2CCC[C@H]2c2ccc(F)cc2C)cn1 ZINC000414465436 328183150 /nfs/dbraw/zinc/18/31/50/328183150.db2.gz XLQHXEKWHPHDHU-KRWDZBQOSA-N 0 1 299.393 3.824 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccccc1)c1ccccc1F ZINC000268965865 328187637 /nfs/dbraw/zinc/18/76/37/328187637.db2.gz GVMRHUWPTONCLW-SUMWQHHRSA-N 0 1 273.351 3.600 20 0 CHADMN CC[C@@H](NCc1ccn(C(F)F)n1)c1ccccc1 ZINC000414497563 328189635 /nfs/dbraw/zinc/18/96/35/328189635.db2.gz TZGAVLBWJZVSGF-CYBMUJFWSA-N 0 1 265.307 3.519 20 0 CHADMN COCC[C@H](NCc1cccc2cc[nH]c21)c1ccc(C)o1 ZINC000272280065 328199219 /nfs/dbraw/zinc/19/92/19/328199219.db2.gz LJCMHMFOVNRNHK-INIZCTEOSA-N 0 1 298.386 3.937 20 0 CHADMN Cc1ccccc1C1(c2nc(C3(N)CCCC3)no2)CCC1 ZINC000414610026 328200734 /nfs/dbraw/zinc/20/07/34/328200734.db2.gz APGJQIYILPOSAA-UHFFFAOYSA-N 0 1 297.402 3.576 20 0 CHADMN CC(C)n1nccc1CNCc1coc2ccccc12 ZINC000281015048 328238143 /nfs/dbraw/zinc/23/81/43/328238143.db2.gz XCPJNMIYRMRMGL-UHFFFAOYSA-N 0 1 269.348 3.500 20 0 CHADMN C[C@H](NCCC1=CCCCC1)c1nc(C(C)(C)C)no1 ZINC000506264921 332767720 /nfs/dbraw/zinc/76/77/20/332767720.db2.gz TUDFVKRRVIBSPP-LBPRGKRZSA-N 0 1 277.412 3.908 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2C[C@@H]3[C@H](C2)C3(C)C)s1 ZINC000183590181 329250802 /nfs/dbraw/zinc/25/08/02/329250802.db2.gz WTOLBPCVOCPSNM-DTORHVGOSA-N 0 1 290.354 3.558 20 0 CHADMN CC(C)c1cccc(N[C@@H](c2nnc[nH]2)c2cccnc2)c1 ZINC000340319847 328255442 /nfs/dbraw/zinc/25/54/42/328255442.db2.gz VBWMPGPHBJCSLQ-MRXNPFEDSA-N 0 1 293.374 3.525 20 0 CHADMN Cc1cnc([C@H](C)C[NH2+]Cc2cccc([O-])c2Cl)s1 ZINC000293415564 328275843 /nfs/dbraw/zinc/27/58/43/328275843.db2.gz ZKDZOOPUEGPLCL-SECBINFHSA-N 0 1 296.823 3.704 20 0 CHADMN FC(F)(F)c1cccc(CN[C@@H]2CCc3ccccc32)n1 ZINC000294711737 328282674 /nfs/dbraw/zinc/28/26/74/328282674.db2.gz DTCYROCSATZXAW-CQSZACIVSA-N 0 1 292.304 3.878 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H]1F)c1ccc2ccccc2n1 ZINC000340533824 328289796 /nfs/dbraw/zinc/28/97/96/328289796.db2.gz YEMGGEUKWRHKSI-DETPVDSQSA-N 0 1 258.340 3.776 20 0 CHADMN Cc1cnn(C)c1CN[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000394882018 328300147 /nfs/dbraw/zinc/30/01/47/328300147.db2.gz LUDOAXUBFMQJKE-SNVBAGLBSA-N 0 1 298.217 3.886 20 0 CHADMN Clc1ccc([C@H]2CSCCN2CC2CC2)cc1 ZINC000531912594 328308142 /nfs/dbraw/zinc/30/81/42/328308142.db2.gz KHBYFWYTMYIBNE-CQSZACIVSA-N 0 1 267.825 3.840 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H](C)c3cccc(C)c3)cc2[nH]1 ZINC000531930322 328314553 /nfs/dbraw/zinc/31/45/53/328314553.db2.gz LYKOBTXTPMHPDZ-LBPRGKRZSA-N 0 1 293.370 3.922 20 0 CHADMN O=C([O-])c1sccc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000110955996 328320263 /nfs/dbraw/zinc/32/02/63/328320263.db2.gz VHGIXJSBMFKENI-UHFFFAOYSA-N 0 1 293.413 3.672 20 0 CHADMN C[C@@H]1CO[C@@H](C)CN1CCCOc1ccc2ccccc2c1 ZINC000303229435 328328205 /nfs/dbraw/zinc/32/82/05/328328205.db2.gz XJKWZOXXEMAKKL-CVEARBPZSA-N 0 1 299.414 3.718 20 0 CHADMN C[C@@H]1CCC[C@@H](N(C)CC(=O)c2c[nH]c3ccccc23)C1 ZINC000049013313 328328789 /nfs/dbraw/zinc/32/87/89/328328789.db2.gz DUIKRTCNNTVQOQ-ZIAGYGMSSA-N 0 1 284.403 3.861 20 0 CHADMN CN(Cc1csc(Cc2ccccc2)n1)CC1CCC1 ZINC000111296423 328344701 /nfs/dbraw/zinc/34/47/01/328344701.db2.gz BLOMTEVZDYKLPF-UHFFFAOYSA-N 0 1 286.444 3.966 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000049236425 328352155 /nfs/dbraw/zinc/35/21/55/328352155.db2.gz VFYPDVLOEZMSKK-VXGBXAGGSA-N 0 1 291.826 3.705 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000534690796 328356253 /nfs/dbraw/zinc/35/62/53/328356253.db2.gz KKECSHHJWJKTMZ-GXTWGEPZSA-N 0 1 289.423 3.718 20 0 CHADMN CCCCc1nc2ccc(NC(=O)CCC)cc2[nH]1 ZINC000049428896 328361025 /nfs/dbraw/zinc/36/10/25/328361025.db2.gz IGYWPGUBYWVNQO-UHFFFAOYSA-N 0 1 259.353 3.644 20 0 CHADMN CCc1nnc(SCCCOc2cccc(Cl)c2)[nH]1 ZINC000049517192 328367233 /nfs/dbraw/zinc/36/72/33/328367233.db2.gz BAUCAOFDUOIMJD-UHFFFAOYSA-N 0 1 297.811 3.582 20 0 CHADMN CCc1n[nH]c(SCCCOc2cccc(Cl)c2)n1 ZINC000049517192 328367235 /nfs/dbraw/zinc/36/72/35/328367235.db2.gz BAUCAOFDUOIMJD-UHFFFAOYSA-N 0 1 297.811 3.582 20 0 CHADMN CCc1cc(CN[C@H](CC)c2ccc(C)cc2)on1 ZINC000531977046 328367981 /nfs/dbraw/zinc/36/79/81/328367981.db2.gz JTBRLGGABHKVGH-MRXNPFEDSA-N 0 1 258.365 3.786 20 0 CHADMN CCc1cc(CN[C@@H]2c3cccc(F)c3CC[C@@H]2C)on1 ZINC000531976997 328368050 /nfs/dbraw/zinc/36/80/50/328368050.db2.gz CYWFCQGFGYKOCS-GTNSWQLSSA-N 0 1 288.366 3.789 20 0 CHADMN CC(C)CN(C)Cc1ccc(F)cc1Br ZINC000049595499 328374080 /nfs/dbraw/zinc/37/40/80/328374080.db2.gz NOFOXSWJXDJOFK-UHFFFAOYSA-N 0 1 274.177 3.676 20 0 CHADMN Oc1ccc(-c2nc(C3CCCC3)no2)cc1Cl ZINC000111686585 328374519 /nfs/dbraw/zinc/37/45/19/328374519.db2.gz HJWJBHVVCJUGTJ-UHFFFAOYSA-N 0 1 264.712 3.753 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN2C[C@@H](C)S[C@@H](C)C2)o1 ZINC000535085047 328385863 /nfs/dbraw/zinc/38/58/63/328385863.db2.gz WFXIJHZUUKXXQB-NRWUCQMLSA-N 0 1 265.422 3.729 20 0 CHADMN CC1(C)Cc2occc2[C@@H](NCc2ccccc2CO)C1 ZINC000305113847 328394137 /nfs/dbraw/zinc/39/41/37/328394137.db2.gz HBQOEPGWQMAQFF-INIZCTEOSA-N 0 1 285.387 3.575 20 0 CHADMN C[C@H](O)[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000305159748 328394619 /nfs/dbraw/zinc/39/46/19/328394619.db2.gz DWVXKIMEYNKADS-CMPLNLGQSA-N 0 1 288.218 3.586 20 0 CHADMN Cc1ccc([C@H]2CCC[C@@H]2N(C)Cc2nccc(C)n2)cc1 ZINC000535207861 328395738 /nfs/dbraw/zinc/39/57/38/328395738.db2.gz SSFQZMCMYGNCNP-MSOLQXFVSA-N 0 1 295.430 3.862 20 0 CHADMN COc1ccc([C@H](C)NCc2cccnc2)cc1Cl ZINC000112515468 328441825 /nfs/dbraw/zinc/44/18/25/328441825.db2.gz ITSZWRJJPGPCKB-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN CCOc1ncccc1CN[C@@H](C)c1ccc(Cl)cc1 ZINC000112522223 328442016 /nfs/dbraw/zinc/44/20/16/328442016.db2.gz BMVYBYHRQOMLAC-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN Cc1cncc([C@H](C)NC2(c3ccc(F)cc3)CC2)c1 ZINC000343846894 328554487 /nfs/dbraw/zinc/55/44/87/328554487.db2.gz DNSGPUQQKYFJTD-ZDUSSCGKSA-N 0 1 270.351 3.869 20 0 CHADMN CCOCc1ccccc1CN[C@H](C)c1ccc(C)o1 ZINC000037762162 326860179 /nfs/dbraw/zinc/86/01/79/326860179.db2.gz WPCJRGBNMAKSBW-CQSZACIVSA-N 0 1 273.376 3.975 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc3c2OCCO3)cc1 ZINC000037770598 326861122 /nfs/dbraw/zinc/86/11/22/326861122.db2.gz VULGVRMXAKBBTH-AWEZNQCLSA-N 0 1 283.371 3.617 20 0 CHADMN Fc1ccc(CN2CCCCCC2)c(Br)c1 ZINC000042229590 326863760 /nfs/dbraw/zinc/86/37/60/326863760.db2.gz LSYCESYRFGCTCK-UHFFFAOYSA-N 0 1 286.188 3.964 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1CCC(C)CC1 ZINC000025545872 326870576 /nfs/dbraw/zinc/87/05/76/326870576.db2.gz LIRCSFLUKZWIBI-ZDUSSCGKSA-N 0 1 294.826 3.707 20 0 CHADMN Cc1cnccc1CN1CC(c2nc3ccccc3s2)C1 ZINC000528428666 326875962 /nfs/dbraw/zinc/87/59/62/326875962.db2.gz NRTNWWLDZYMGGF-UHFFFAOYSA-N 0 1 295.411 3.599 20 0 CHADMN Cc1cccc(CC[C@@H](C)N[C@@H](C)c2csnn2)c1 ZINC000398245271 326876142 /nfs/dbraw/zinc/87/61/42/326876142.db2.gz RSQYSHVZWADRAO-OLZOCXBDSA-N 0 1 275.421 3.518 20 0 CHADMN CCc1ccc(CN[C@H](COC)c2ccc(F)cc2)cc1 ZINC000530729362 326887991 /nfs/dbraw/zinc/88/79/91/326887991.db2.gz VKEIJFWLQCDXLT-GOSISDBHSA-N 0 1 287.378 3.865 20 0 CHADMN Cc1ccc(F)c(CN[C@@H](c2cnn(C)c2)C(C)(C)C)c1 ZINC000530729068 326888131 /nfs/dbraw/zinc/88/81/31/326888131.db2.gz BAEUTTHUHXFLEO-INIZCTEOSA-N 0 1 289.398 3.745 20 0 CHADMN CCCCCC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000530831086 326892693 /nfs/dbraw/zinc/89/26/93/326892693.db2.gz LBEXGVNPBNFWKG-HNNXBMFYSA-N 0 1 296.842 3.639 20 0 CHADMN C[C@@H](N[C@@H](C)c1noc(-c2ccccc2)n1)C1CCCC1 ZINC000124476564 326930647 /nfs/dbraw/zinc/93/06/47/326930647.db2.gz SGZPZXOXAASESI-OLZOCXBDSA-N 0 1 285.391 3.966 20 0 CHADMN Fc1cccc2c1CCC[C@H]2NCc1ccc2c(n1)CCC2 ZINC000556787390 326964652 /nfs/dbraw/zinc/96/46/52/326964652.db2.gz VISTYWJEVOWDHG-LJQANCHMSA-N 0 1 296.389 3.877 20 0 CHADMN C[C@@H](N[C@H]1CSC1(C)C)c1cc(F)ccc1F ZINC000338792216 327006408 /nfs/dbraw/zinc/00/64/08/327006408.db2.gz MJKBZVWJLZNIDM-PELKAZGASA-N 0 1 257.349 3.509 20 0 CHADMN OC[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000339744863 327014405 /nfs/dbraw/zinc/01/44/05/327014405.db2.gz AJUOWSZTMSLWNR-LLVKDONJSA-N 0 1 288.218 3.588 20 0 CHADMN Cc1ccc2nc(NC(=O)C3(C)CCCCC3)[nH]c2c1 ZINC000557808463 327028454 /nfs/dbraw/zinc/02/84/54/327028454.db2.gz SFEIRMRLVNTLRK-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN C=Cc1ccc(C(=O)Nc2nc3ccc(C)cc3[nH]2)cc1 ZINC000557814567 327028637 /nfs/dbraw/zinc/02/86/37/327028637.db2.gz KCAWVFLECRYNBG-UHFFFAOYSA-N 0 1 277.327 3.767 20 0 CHADMN CO[C@@H]1[C@@H](C)[C@@H](NCc2csc(C(C)(C)C)n2)C1(C)C ZINC000557933212 327035777 /nfs/dbraw/zinc/03/57/77/327035777.db2.gz GVATZKLHMODHQZ-CYZMBNFOSA-N 0 1 296.480 3.590 20 0 CHADMN CC[C@]1(C)C[C@@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000557962079 327037941 /nfs/dbraw/zinc/03/79/41/327037941.db2.gz WIGKQCKKTDJCFU-FUXBKTLASA-N 0 1 271.719 3.559 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC000263459826 327039332 /nfs/dbraw/zinc/03/93/32/327039332.db2.gz BLJUUCOOCWCAKY-PBHICJAKSA-N 0 1 289.419 3.570 20 0 CHADMN CCc1ccc(/C=C/c2nc([C@H](N)CC(C)C)no2)cc1 ZINC000584112685 327040229 /nfs/dbraw/zinc/04/02/29/327040229.db2.gz CLFCMTUNLSCZSM-BOLDSZDNSA-N 0 1 285.391 3.848 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@H+]1CCCC2(CCCCC2)CC1 ZINC000584177995 327055331 /nfs/dbraw/zinc/05/53/31/327055331.db2.gz WKLCQQFKBDIPRH-CQSZACIVSA-N 0 1 267.413 3.676 20 0 CHADMN COC[C@H](NCC=C(C)C)c1cccc(Cl)c1F ZINC000558255992 327082044 /nfs/dbraw/zinc/08/20/44/327082044.db2.gz QDKUJPZBRRHROJ-ZDUSSCGKSA-N 0 1 271.763 3.722 20 0 CHADMN CC(C)c1cc(C(=O)N2CCC[C@@H](c3ccccc3)C2)n[nH]1 ZINC000558305307 327086538 /nfs/dbraw/zinc/08/65/38/327086538.db2.gz KWFUOSROWNELQH-OAHLLOKOSA-N 0 1 297.402 3.553 20 0 CHADMN CCS[C@@H]1CCCC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000558410137 327092153 /nfs/dbraw/zinc/09/21/53/327092153.db2.gz BOHVKSFZMJBFLQ-CQSZACIVSA-N 0 1 284.856 3.843 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2ccc(Cl)cn2)C1 ZINC000558410137 327092155 /nfs/dbraw/zinc/09/21/55/327092155.db2.gz BOHVKSFZMJBFLQ-CQSZACIVSA-N 0 1 284.856 3.843 20 0 CHADMN FC(F)(F)c1cccc(CN2CC(C3CCC3)C2)c1 ZINC000558414838 327092597 /nfs/dbraw/zinc/09/25/97/327092597.db2.gz YHJJQRRKZPCTKO-UHFFFAOYSA-N 0 1 269.310 3.937 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000558470203 327096820 /nfs/dbraw/zinc/09/68/20/327096820.db2.gz ORUOLPZQNWUYCA-KCXAZCMYSA-N 0 1 277.383 3.776 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1Cc1nc(C(C)(C)C)no1 ZINC000558562610 327105908 /nfs/dbraw/zinc/10/59/08/327105908.db2.gz FWDYENYBBWHXSK-OLZOCXBDSA-N 0 1 279.428 3.768 20 0 CHADMN C[C@H](c1ccccc1F)N1CCN(Cc2ccccc2)CC1 ZINC000558737456 327118526 /nfs/dbraw/zinc/11/85/26/327118526.db2.gz BVCBLXHSRFQLKM-MRXNPFEDSA-N 0 1 298.405 3.705 20 0 CHADMN Cc1ccccc1[C@@H](CO)NCc1ccc(C(C)C)nc1C ZINC000559149970 327143840 /nfs/dbraw/zinc/14/38/40/327143840.db2.gz PTCOXFFVLORIFC-LJQANCHMSA-N 0 1 298.430 3.645 20 0 CHADMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1c(Cl)cccc1C(=O)[O-] ZINC000564463211 327148076 /nfs/dbraw/zinc/14/80/76/327148076.db2.gz QSJHZXZHNHSOIO-WDEREUQCSA-N 0 1 281.783 3.659 20 0 CHADMN CCc1ccc(CNCc2cc(OC)ccc2F)s1 ZINC000559242743 327149413 /nfs/dbraw/zinc/14/94/13/327149413.db2.gz BNCVMJAJXUGWEX-UHFFFAOYSA-N 0 1 279.380 3.748 20 0 CHADMN C[C@H](CN1CCOC[C@@H]1CC(F)F)C1CCCCC1 ZINC000559243387 327149420 /nfs/dbraw/zinc/14/94/20/327149420.db2.gz GUXRDBNBQCHOQG-OCCSQVGLSA-N 0 1 275.383 3.559 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CC[C@H](c2cccnc2)C1 ZINC000566178002 327157186 /nfs/dbraw/zinc/15/71/86/327157186.db2.gz VOWZOEFUIXGIQR-JSGCOSHPSA-N 0 1 288.341 3.910 20 0 CHADMN CC[C@H](N[C@@H](C)c1noc(COC(C)C)n1)C1CCCC1 ZINC000449332978 327163195 /nfs/dbraw/zinc/16/31/95/327163195.db2.gz FLPJZRQZLLNVDC-JSGCOSHPSA-N 0 1 295.427 3.614 20 0 CHADMN CC[C@@H](N[C@H](C)c1noc(COC(C)C)n1)C1CCCC1 ZINC000449332980 327163306 /nfs/dbraw/zinc/16/33/06/327163306.db2.gz FLPJZRQZLLNVDC-TZMCWYRMSA-N 0 1 295.427 3.614 20 0 CHADMN Cc1ccc(CN[C@H]2c3ccc(F)cc3O[C@@H]2C)cc1F ZINC000569405473 327172530 /nfs/dbraw/zinc/17/25/30/327172530.db2.gz FNCOBCUBHWZIBC-PIGZYNQJSA-N 0 1 289.325 3.885 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000518547073 327173329 /nfs/dbraw/zinc/17/33/29/327173329.db2.gz UZRTVKDUBHDOAF-DGCLKSJQSA-N 0 1 281.421 3.847 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)c1 ZINC000518547167 327173425 /nfs/dbraw/zinc/17/34/25/327173425.db2.gz WWNCHDXJUHGIBT-HLRDLLSLSA-N 0 1 297.354 3.656 20 0 CHADMN CC1(C)CC[C@H]1NCc1ncc(-c2cccs2)o1 ZINC000569470011 327182642 /nfs/dbraw/zinc/18/26/42/327182642.db2.gz DPEMDCOLNNJEPX-GFCCVEGCSA-N 0 1 262.378 3.681 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3cc(C)ccc3C)ccc12 ZINC000091827058 327187013 /nfs/dbraw/zinc/18/70/13/327187013.db2.gz FJSPWBOJLPUYEC-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN CCC1CCC(N(Cc2snnc2C)C2CC2)CC1 ZINC000518674275 327192528 /nfs/dbraw/zinc/19/25/28/327192528.db2.gz QAONYVIKALVZHE-UHFFFAOYSA-N 0 1 279.453 3.780 20 0 CHADMN COc1cccc([C@@H]2CN(C[C@@H](C)CC(C)C)CCO2)c1 ZINC000410416524 327193491 /nfs/dbraw/zinc/19/34/91/327193491.db2.gz ZFMYRXOZOPKBPC-YJBOKZPZSA-N 0 1 291.435 3.751 20 0 CHADMN CC[C@H](C)[C@@H](CNCc1ncc(C(C)(C)C)s1)OC ZINC000449405109 327199891 /nfs/dbraw/zinc/19/98/91/327199891.db2.gz XHFDQEXPIREIQR-NWDGAFQWSA-N 0 1 284.469 3.591 20 0 CHADMN CCCC[C@H](C)N(CCCC)Cc1nnc(CC)[nH]1 ZINC000559386394 327200195 /nfs/dbraw/zinc/20/01/95/327200195.db2.gz JYQOEYURRQYMJP-ZDUSSCGKSA-N 0 1 266.433 3.548 20 0 CHADMN FC(F)(F)C1=CCN(CCCOc2ccccc2)CC1 ZINC000533834617 327220668 /nfs/dbraw/zinc/22/06/68/327220668.db2.gz LJCUJWRRYAWCAA-UHFFFAOYSA-N 0 1 285.309 3.650 20 0 CHADMN Clc1ccc(NCc2ccc3nc[nH]c3c2)cc1 ZINC000536459639 327240184 /nfs/dbraw/zinc/24/01/84/327240184.db2.gz OZVFDIMMDLKLQC-UHFFFAOYSA-N 0 1 257.724 3.828 20 0 CHADMN FC[C@@H]1CCCN1[C@H]1CCc2ccc(Cl)cc21 ZINC000559411653 327244235 /nfs/dbraw/zinc/24/42/35/327244235.db2.gz UDJJCLMSMZUDFB-JSGCOSHPSA-N 0 1 253.748 3.761 20 0 CHADMN Fc1ccc(Cl)cc1CN1CC[C@H](c2ccncc2)C1 ZINC000559641367 327256673 /nfs/dbraw/zinc/25/66/73/327256673.db2.gz WMAGGXFOADINPG-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN CCN(CCc1cscn1)Cc1ccccc1Cl ZINC000559789486 327261425 /nfs/dbraw/zinc/26/14/25/327261425.db2.gz BNNLOLXHWAFQSO-UHFFFAOYSA-N 0 1 280.824 3.861 20 0 CHADMN COc1ccncc1CN[C@H]1CCc2c1cccc2Cl ZINC000559872845 327265750 /nfs/dbraw/zinc/26/57/50/327265750.db2.gz XSDJAQHDHACVGW-HNNXBMFYSA-N 0 1 288.778 3.521 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)cc1)c1cnn(C)c1 ZINC000044497634 327268119 /nfs/dbraw/zinc/26/81/19/327268119.db2.gz HQSDPQKJIGZFIW-WDEREUQCSA-N 0 1 297.324 3.851 20 0 CHADMN CC(C)Oc1ccc(CN[C@@H]2COCc3ccccc32)cc1 ZINC000559893361 327269042 /nfs/dbraw/zinc/26/90/42/327269042.db2.gz DWCMWFPKROUNBW-LJQANCHMSA-N 0 1 297.398 3.835 20 0 CHADMN CCc1ccc(CN[C@H](C)c2cn3ccccc3n2)s1 ZINC000559898276 327269809 /nfs/dbraw/zinc/26/98/09/327269809.db2.gz YEXDHSSPVNEHHY-GFCCVEGCSA-N 0 1 285.416 3.809 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000559981134 327275268 /nfs/dbraw/zinc/27/52/68/327275268.db2.gz FYPUVGMHIBVNLM-ZIAGYGMSSA-N 0 1 297.402 3.727 20 0 CHADMN CCC(CC)(CNc1[nH+]ccc2ccccc21)C(=O)[O-] ZINC000168623443 327282128 /nfs/dbraw/zinc/28/21/28/327282128.db2.gz PWJGWFMAJXEAHN-UHFFFAOYSA-N 0 1 272.348 3.538 20 0 CHADMN C[C@H](NC(=O)c1n[nH]c2ccc(Cl)cc21)c1ccccc1 ZINC000560231370 327291589 /nfs/dbraw/zinc/29/15/89/327291589.db2.gz SFKMDGWXDMQTCO-JTQLQIEISA-N 0 1 299.761 3.707 20 0 CHADMN Cc1noc([C@@H]2CCCCN2CCCCc2ccccc2)n1 ZINC000560533598 327320660 /nfs/dbraw/zinc/32/06/60/327320660.db2.gz ROMOLPOXAYZPMS-KRWDZBQOSA-N 0 1 299.418 3.928 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000560582987 327327789 /nfs/dbraw/zinc/32/77/89/327327789.db2.gz MZJJFOAKGMJMSU-STQMWFEESA-N 0 1 294.402 3.932 20 0 CHADMN CC(C)(C)C1CC(NCc2c(F)ccc(O)c2F)C1 ZINC000560595308 327329340 /nfs/dbraw/zinc/32/93/40/327329340.db2.gz RYCFOEMJMKFVNT-UHFFFAOYSA-N 0 1 269.335 3.585 20 0 CHADMN C[C@H](N[C@@H](C)[C@H]1CCCO1)c1c(F)cccc1Cl ZINC000386419625 327334887 /nfs/dbraw/zinc/33/48/87/327334887.db2.gz ZFYYIKKHEXEBGM-OUJBWJOFSA-N 0 1 271.763 3.697 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCCCCC(=O)[O-] ZINC000566360776 327336988 /nfs/dbraw/zinc/33/69/88/327336988.db2.gz BEXBMGKLNJULKA-KRWDZBQOSA-N 0 1 291.435 3.893 20 0 CHADMN CC1(C)CCC(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1 ZINC000261802691 327345584 /nfs/dbraw/zinc/34/55/84/327345584.db2.gz YXUSACLOGJEGFQ-JYJNAYRXSA-N 0 1 293.451 3.921 20 0 CHADMN CCOc1cccc(Cl)c1CN1CCC(C)(OC)CC1 ZINC000566415748 327352720 /nfs/dbraw/zinc/35/27/20/327352720.db2.gz JOAAJYSJVHXYIU-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1cccc(F)c1 ZINC000561007209 327357290 /nfs/dbraw/zinc/35/72/90/327357290.db2.gz IXSVZGLMLNMJNE-CYBMUJFWSA-N 0 1 255.336 3.945 20 0 CHADMN CCn1ccnc1CN[C@H](CC1CC1)c1ccccc1 ZINC000561156739 327370020 /nfs/dbraw/zinc/37/00/20/327370020.db2.gz DNXUMCHUOIMDLS-MRXNPFEDSA-N 0 1 269.392 3.534 20 0 CHADMN COC[C@H]1CCN1Cc1cc(-c2ccccc2)ccc1OC ZINC000561314218 327385160 /nfs/dbraw/zinc/38/51/60/327385160.db2.gz BHGIFTKAFMFTPY-GOSISDBHSA-N 0 1 297.398 3.583 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2nc(C(C)C)cs2)C1(C)C ZINC000181910645 327386599 /nfs/dbraw/zinc/38/65/99/327386599.db2.gz VLBFLAYNQAJBGA-OLZOCXBDSA-N 0 1 282.453 3.560 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2n[nH]c(C(C)C)n2)c(C)c1 ZINC000428473209 327387231 /nfs/dbraw/zinc/38/72/31/327387231.db2.gz LQUZWPWAWKHWDM-CQSZACIVSA-N 0 1 286.423 3.738 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@@H]1CCCc2c(F)cccc21 ZINC000566476367 327389860 /nfs/dbraw/zinc/38/98/60/327389860.db2.gz XYLYVMOHZNDZAO-YVEFUNNKSA-N 0 1 285.366 3.652 20 0 CHADMN CC(C)c1ccc(CN[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000561497128 327399130 /nfs/dbraw/zinc/39/91/30/327399130.db2.gz LZDQOWORGXBHLL-SFHVURJKSA-N 0 1 287.378 3.772 20 0 CHADMN CC[C@@H](CC(=O)Nc1cc(C(C)=O)ccc1O)C(C)C ZINC000512582764 332974005 /nfs/dbraw/zinc/97/40/05/332974005.db2.gz OVQMNOBUBNWLGG-LBPRGKRZSA-N 0 1 277.364 3.606 20 0 CHADMN COc1cc(C)ccc1CNCc1ccc(F)c(F)c1 ZINC000151033203 327413558 /nfs/dbraw/zinc/41/35/58/327413558.db2.gz AYUKMMKGMLHWQA-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN C[C@H](CNCc1cocn1)c1ccc(C(F)(F)F)cc1 ZINC000561953028 327433183 /nfs/dbraw/zinc/43/31/83/327433183.db2.gz AYTSZTFCWYQRQE-SNVBAGLBSA-N 0 1 284.281 3.587 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1ccc(Cl)cn1 ZINC000570002375 327561582 /nfs/dbraw/zinc/56/15/82/327561582.db2.gz VRPAHKLSYIFZJA-LLVKDONJSA-N 0 1 275.783 3.543 20 0 CHADMN Cc1nc2c(n1Cc1cc(C)nc3ccccc13)CCCC2 ZINC000317379840 327571890 /nfs/dbraw/zinc/57/18/90/327571890.db2.gz PYANNUHAWOODHF-UHFFFAOYSA-N 0 1 291.398 3.975 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@@H](C)c2cscn2)C12CCCCC2 ZINC000535777752 328630778 /nfs/dbraw/zinc/63/07/78/328630778.db2.gz NNROWVSPRIBBCG-NWANDNLSSA-N 0 1 294.464 3.922 20 0 CHADMN CCO[C@H](CCN[C@@H](C)c1cscn1)C1CCCC1 ZINC000536625702 328670116 /nfs/dbraw/zinc/67/01/16/328670116.db2.gz MONFGOOEWXMWFY-SWLSCSKDSA-N 0 1 282.453 3.779 20 0 CHADMN C[C@H]1CN(Cc2cccc(OC(C)(C)C)n2)C[C@H](C)S1 ZINC000536641700 328673452 /nfs/dbraw/zinc/67/34/52/328673452.db2.gz DKLFZLXNGKAQBW-STQMWFEESA-N 0 1 294.464 3.585 20 0 CHADMN CCc1cc(CN[C@H](C)c2ccc(CC)s2)on1 ZINC000532232558 328709461 /nfs/dbraw/zinc/70/94/61/328709461.db2.gz QGXOJUFXFHEVKA-SNVBAGLBSA-N 0 1 264.394 3.712 20 0 CHADMN CC(C)Oc1ccc([C@@H](C)N[C@H](C)c2ccnn2C)cc1 ZINC000192247732 328726431 /nfs/dbraw/zinc/72/64/31/328726431.db2.gz PUQAZRFXAVFPQW-ZIAGYGMSSA-N 0 1 287.407 3.619 20 0 CHADMN C[C@H](CN[C@@H](C)c1ccon1)c1cccc(Cl)c1 ZINC000526115994 328744310 /nfs/dbraw/zinc/74/43/10/328744310.db2.gz XNZQTEYTVZBGLT-MNOVXSKESA-N 0 1 264.756 3.782 20 0 CHADMN Cc1cnc([C@H](C)N2CCC(n3c(C)ccc3C)CC2)o1 ZINC000336352402 328750116 /nfs/dbraw/zinc/75/01/16/328750116.db2.gz RSLUBSIVFZTPTN-HNNXBMFYSA-N 0 1 287.407 3.799 20 0 CHADMN COc1ccc2ccccc2c1CNCc1ncccc1C ZINC000103712839 328772179 /nfs/dbraw/zinc/77/21/79/328772179.db2.gz PBAUCYIKYWLIJW-UHFFFAOYSA-N 0 1 292.382 3.842 20 0 CHADMN CCc1cc(CN[C@@H](C)c2cc3c(s2)CCC3)on1 ZINC000532517182 328785977 /nfs/dbraw/zinc/78/59/77/328785977.db2.gz NVJSEGUHTUBJLQ-JTQLQIEISA-N 0 1 276.405 3.638 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccncn1)c1cccc(Cl)c1 ZINC000395960651 328791248 /nfs/dbraw/zinc/79/12/48/328791248.db2.gz IRZTTYSPXNZVDJ-BXUZGUMPSA-N 0 1 275.783 3.932 20 0 CHADMN CCC[C@H](NC(=O)c1ccc(O)c(Cl)c1)C1CCC1 ZINC000325252506 328823353 /nfs/dbraw/zinc/82/33/53/328823353.db2.gz ZGQUYIOSDIBVNB-ZDUSSCGKSA-N 0 1 281.783 3.744 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccc(F)cc1)c1cc2ccccc2o1 ZINC000563984585 328842379 /nfs/dbraw/zinc/84/23/79/328842379.db2.gz IOUKNDYUJNXZTG-LRDDRELGSA-N 0 1 299.345 3.956 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2ccc3cc[nH]c3n2)cc1 ZINC000353592722 328855298 /nfs/dbraw/zinc/85/52/98/328855298.db2.gz BQUPCKSFOPPWDI-CYBMUJFWSA-N 0 1 295.386 3.812 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@H]2CSc3ccccc32)cn1 ZINC000361400056 328923560 /nfs/dbraw/zinc/92/35/60/328923560.db2.gz LJDLDRLIUXZFGH-WFASDCNBSA-N 0 1 287.432 3.962 20 0 CHADMN Cc1sc2nc(C)nc(N3CCc4cnccc43)c2c1C ZINC000362561524 328928982 /nfs/dbraw/zinc/92/89/82/328928982.db2.gz SEFXNZZWDKJHQZ-UHFFFAOYSA-N 0 1 296.399 3.706 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1ccnc(C)c1 ZINC000391203447 328978013 /nfs/dbraw/zinc/97/80/13/328978013.db2.gz SDLWZKSTIPGGNF-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1cccc(CN[C@H](c2cnn(C)c2)c2ccccc2)c1 ZINC000374608519 328994927 /nfs/dbraw/zinc/99/49/27/328994927.db2.gz BWBSGQNBQKQLCB-IBGZPJMESA-N 0 1 291.398 3.608 20 0 CHADMN CC(C)n1ncc2c1[C@H](N[C@H](C)c1ccoc1)CCC2 ZINC000375183130 329001804 /nfs/dbraw/zinc/00/18/04/329001804.db2.gz MRLNVSYJKMIHBI-IUODEOHRSA-N 0 1 273.380 3.785 20 0 CHADMN CC1(C)CCC(CC(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000378242031 329043960 /nfs/dbraw/zinc/04/39/60/329043960.db2.gz IKBDOSANAQVNBC-AWEZNQCLSA-N 0 1 289.423 3.510 20 0 CHADMN c1oc(-c2ccccc2)nc1CN1CCC2(CC2)CC1 ZINC000378326123 329046183 /nfs/dbraw/zinc/04/61/83/329046183.db2.gz KPSOPZGICWIRKA-UHFFFAOYSA-N 0 1 268.360 3.718 20 0 CHADMN CCC[C@@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccccn1 ZINC000378404714 329049193 /nfs/dbraw/zinc/04/91/93/329049193.db2.gz PMBKDDKHKLAREZ-RTBURBONSA-N 0 1 295.430 3.699 20 0 CHADMN COc1cccc2c1OCC[C@H]2N[C@@H](C)c1ccsc1 ZINC000378405332 329049218 /nfs/dbraw/zinc/04/92/18/329049218.db2.gz RAMSQISKWTVSBS-SMDDNHRTSA-N 0 1 289.400 3.931 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC([C@@H]2CCOC2)CC1 ZINC000378640612 329057586 /nfs/dbraw/zinc/05/75/86/329057586.db2.gz BOYDRTOJWAMRJR-GXTWGEPZSA-N 0 1 295.373 3.774 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2)C(C)(C)C)on1 ZINC000193540488 329058649 /nfs/dbraw/zinc/05/86/49/329058649.db2.gz ICFZMUWZGICUCX-OAHLLOKOSA-N 0 1 258.365 3.860 20 0 CHADMN C=Cn1cc(C[N@@H+](Cc2ccccc2)[C@H](C)C2CC2)cn1 ZINC000193603023 329059937 /nfs/dbraw/zinc/05/99/37/329059937.db2.gz OMSKNXYNPSLVPD-OAHLLOKOSA-N 0 1 281.403 3.784 20 0 CHADMN C=Cn1cc(CN2CCC[C@H]2c2ccc(OCC)cc2)cn1 ZINC000193636248 329060275 /nfs/dbraw/zinc/06/02/75/329060275.db2.gz RKVOPOZZYQVUIN-SFHVURJKSA-N 0 1 297.402 3.719 20 0 CHADMN CSC1(CNCc2csc(-c3cccs3)n2)CC1 ZINC000193658953 329060693 /nfs/dbraw/zinc/06/06/93/329060693.db2.gz MDTOTRSSVVRJPA-UHFFFAOYSA-N 0 1 296.486 3.857 20 0 CHADMN Cc1cccc([C@@H](C)SCc2n[nH]c(C3CC3)n2)c1 ZINC000193671295 329060707 /nfs/dbraw/zinc/06/07/07/329060707.db2.gz SGAGYWZADYNDED-LLVKDONJSA-N 0 1 273.405 3.985 20 0 CHADMN C=Cn1cc(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)cn1 ZINC000193965240 329064097 /nfs/dbraw/zinc/06/40/97/329064097.db2.gz CURYTMCHKQWCCO-SFHVURJKSA-N 0 1 281.403 3.537 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC000583698832 329069483 /nfs/dbraw/zinc/06/94/83/329069483.db2.gz QMRBCCXLWQJBPJ-AWEZNQCLSA-N 0 1 283.371 3.620 20 0 CHADMN Fc1ccc(C[N@@H+](CCc2cccnc2)C2CC2)c(F)c1 ZINC000172074652 329080846 /nfs/dbraw/zinc/08/08/46/329080846.db2.gz AZBSTJRWGKGDBB-UHFFFAOYSA-N 0 1 288.341 3.567 20 0 CHADMN Fc1ccc(CN(CCc2cccnc2)C2CC2)c(F)c1 ZINC000172074652 329080847 /nfs/dbraw/zinc/08/08/47/329080847.db2.gz AZBSTJRWGKGDBB-UHFFFAOYSA-N 0 1 288.341 3.567 20 0 CHADMN COc1cccc2c1CCCN2Cc1ccc2nc[nH]c2c1 ZINC000582562541 329111923 /nfs/dbraw/zinc/11/19/23/329111923.db2.gz FBNHNLARVXLQEP-UHFFFAOYSA-N 0 1 293.370 3.524 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCCCCC(=O)[O-] ZINC000582730830 329132407 /nfs/dbraw/zinc/13/24/07/329132407.db2.gz VIBVUVSHCYJISX-GDBMZVCRSA-N 0 1 275.392 3.509 20 0 CHADMN C[C@@H]1CCCN(Cc2nccn2Cc2ccccc2)[C@@H]1C ZINC000172855485 329139439 /nfs/dbraw/zinc/13/94/39/329139439.db2.gz MPEUACCEESHQMJ-HZPDHXFCSA-N 0 1 283.419 3.552 20 0 CHADMN CCc1cnc(CN(C)CCC2CCCC2)s1 ZINC000175514015 329169365 /nfs/dbraw/zinc/16/93/65/329169365.db2.gz VIJCHZFMFRPQLG-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN CC(C)C[C@H]1CCN(Cc2ccc(Br)cn2)C1 ZINC000307783161 329147448 /nfs/dbraw/zinc/14/74/48/329147448.db2.gz LUMCBBAZFQBEHF-GFCCVEGCSA-N 0 1 297.240 3.712 20 0 CHADMN Cc1nc(C(C)(C)N[C@H]2C=CCCC2)sc1C ZINC000173957323 329151717 /nfs/dbraw/zinc/15/17/17/329151717.db2.gz NGGLASSZZYJVHH-LBPRGKRZSA-N 0 1 250.411 3.693 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2F)N(Cc2ccccn2)C1 ZINC000174041796 329153594 /nfs/dbraw/zinc/15/35/94/329153594.db2.gz STKOSUSAKXWLBR-DYVFJYSZSA-N 0 1 270.351 3.804 20 0 CHADMN CC(C)c1nc(CN2C[C@H](C)CC[C@H]2C)cs1 ZINC000174476346 329159254 /nfs/dbraw/zinc/15/92/54/329159254.db2.gz POHLKJTYRAFGLV-VXGBXAGGSA-N 0 1 252.427 3.887 20 0 CHADMN CN(Cc1ncc(-c2cccc(F)c2)o1)CC1CCC1 ZINC000175222902 329166637 /nfs/dbraw/zinc/16/66/37/329166637.db2.gz XSWIBDVYEQVIKD-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN CN(Cc1ccc[nH]1)Cc1ccc(C(F)(F)F)cc1 ZINC000175428039 329168215 /nfs/dbraw/zinc/16/82/15/329168215.db2.gz IGOWVHAELUMUNO-UHFFFAOYSA-N 0 1 268.282 3.666 20 0 CHADMN CCCCN(Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000177999349 329191287 /nfs/dbraw/zinc/19/12/87/329191287.db2.gz QZLHHRAXBMJGQS-UHFFFAOYSA-N 0 1 283.419 3.896 20 0 CHADMN CC[C@H](C)CN(CC)Cc1nccn1Cc1ccccc1 ZINC000177860084 329193288 /nfs/dbraw/zinc/19/32/88/329193288.db2.gz WCPAICRCPOQIHP-INIZCTEOSA-N 0 1 285.435 3.799 20 0 CHADMN CCOc1ccc2c(c1)[C@@H](NCc1cccs1)CCO2 ZINC000178244448 329195123 /nfs/dbraw/zinc/19/51/23/329195123.db2.gz ZZJHHOBIZGOYKU-HNNXBMFYSA-N 0 1 289.400 3.760 20 0 CHADMN CCOc1ccc2c(c1)[C@@H](N[C@H](C)c1ccncc1)CCO2 ZINC000178129094 329196509 /nfs/dbraw/zinc/19/65/09/329196509.db2.gz BLGMWCPWXAMXLK-DYVFJYSZSA-N 0 1 298.386 3.655 20 0 CHADMN C[C@H](N[C@@H]1CCCOc2ccccc21)c1ccoc1 ZINC000178317436 329198515 /nfs/dbraw/zinc/19/85/15/329198515.db2.gz QQMAIRZJDPULLS-SWLSCSKDSA-N 0 1 257.333 3.844 20 0 CHADMN CCOc1ccc2c(c1)[C@@H](N[C@@H](C)c1cccnc1)CCO2 ZINC000178313780 329198591 /nfs/dbraw/zinc/19/85/91/329198591.db2.gz RTAOMVSHSJAJPG-GUYCJALGSA-N 0 1 298.386 3.655 20 0 CHADMN CCOC[C@@H](C)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000178727683 329200304 /nfs/dbraw/zinc/20/03/04/329200304.db2.gz HZCLQZIQMXAWDT-OLZOCXBDSA-N 0 1 290.432 3.886 20 0 CHADMN O=C(c1ccc(F)cc1O)N1CCC(c2ccccc2)CC1 ZINC000178998455 329203640 /nfs/dbraw/zinc/20/36/40/329203640.db2.gz ANXVONDRSMTSTF-UHFFFAOYSA-N 0 1 299.345 3.551 20 0 CHADMN CN(Cc1ccc[nH]1)Cc1cccc(OC(F)(F)F)c1 ZINC000180174183 329218253 /nfs/dbraw/zinc/21/82/53/329218253.db2.gz PBQOZGUSOBACML-UHFFFAOYSA-N 0 1 284.281 3.545 20 0 CHADMN CSc1ccccc1C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000180332457 329219538 /nfs/dbraw/zinc/21/95/38/329219538.db2.gz BHVDMMFVTCYHNJ-UHFFFAOYSA-N 0 1 297.383 3.846 20 0 CHADMN C(=C/[C@@H]1CCCCCN1Cc1cncnc1)\c1cccs1 ZINC000180843178 329223441 /nfs/dbraw/zinc/22/34/41/329223441.db2.gz TXUIGSRGYRPUEF-WAVCKPEOSA-N 0 1 299.443 3.996 20 0 CHADMN CCc1nc2c(s1)[C@H](NCc1cncc(C)c1)CCC2 ZINC000181845642 329238027 /nfs/dbraw/zinc/23/80/27/329238027.db2.gz DRXMTJHQAVKBOC-CYBMUJFWSA-N 0 1 287.432 3.576 20 0 CHADMN C[C@@H](CCc1ccco1)NCc1ncc(Cl)s1 ZINC000225299954 329248277 /nfs/dbraw/zinc/24/82/77/329248277.db2.gz PTPXAGWVMNLTKG-VIFPVBQESA-N 0 1 270.785 3.500 20 0 CHADMN Clc1cnc(CNCCC2=CCCCC2)s1 ZINC000225292151 329248116 /nfs/dbraw/zinc/24/81/16/329248116.db2.gz DOIKGKAFVQAUIH-UHFFFAOYSA-N 0 1 256.802 3.777 20 0 CHADMN CC(C)OCCCN[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184847827 329263460 /nfs/dbraw/zinc/26/34/60/329263460.db2.gz PSTJYMCSAOHCAE-CQSZACIVSA-N 0 1 288.391 3.807 20 0 CHADMN CC[C@@H](N[C@H](C)c1n[nH]c(C)n1)c1ccc(Cl)cc1 ZINC000392332694 329270545 /nfs/dbraw/zinc/27/05/45/329270545.db2.gz DBYHNAMEZUEXDY-NOZJJQNGSA-N 0 1 278.787 3.568 20 0 CHADMN CCc1noc(C)c1CN(CC)Cc1ccc(C)cc1 ZINC000584385049 329308208 /nfs/dbraw/zinc/30/82/08/329308208.db2.gz LYYGCQSUCBZINO-UHFFFAOYSA-N 0 1 272.392 3.876 20 0 CHADMN CC(C)c1nc(CN[C@H](C)CC(F)(F)F)c2ccccn21 ZINC000583147734 329322519 /nfs/dbraw/zinc/32/25/19/329322519.db2.gz RFPDCJNLHSJZSK-LLVKDONJSA-N 0 1 299.340 3.888 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H](C)c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000392475401 329345948 /nfs/dbraw/zinc/34/59/48/329345948.db2.gz SEYWSPCURHNWHV-DTWKUNHWSA-N 0 1 298.312 3.544 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CCC(C)(CO)CC1 ZINC000186957794 329352125 /nfs/dbraw/zinc/35/21/25/329352125.db2.gz GPALNJUHURISSN-HNNXBMFYSA-N 0 1 283.362 3.510 20 0 CHADMN COc1ccc2nc(CN3CCC4(CCC4)C3)sc2c1 ZINC000187159042 329354161 /nfs/dbraw/zinc/35/41/61/329354161.db2.gz HGKBTXLSSZVOKY-UHFFFAOYSA-N 0 1 288.416 3.681 20 0 CHADMN Cc1ccc(CN(C)[C@H](C)c2cccc(O)c2)c(C)n1 ZINC000187249940 329355996 /nfs/dbraw/zinc/35/59/96/329355996.db2.gz LTIXMNSLPBKTLQ-CQSZACIVSA-N 0 1 270.376 3.597 20 0 CHADMN c1cc2c3c(ccc(NCc4n[nH]c(C5CC5)n4)c3c1)CC2 ZINC000187404032 329357399 /nfs/dbraw/zinc/35/73/99/329357399.db2.gz KJNVNPGAXAVCEH-UHFFFAOYSA-N 0 1 290.370 3.546 20 0 CHADMN COc1ccc(F)cc1[C@H](C)NCc1ccc(C)nc1C ZINC000187418396 329357620 /nfs/dbraw/zinc/35/76/20/329357620.db2.gz UATVLGKJCZLPGQ-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN Cc1cccc2c1OCC[C@H]2NCc1cnn(C(C)(C)C)c1 ZINC000188876137 329373958 /nfs/dbraw/zinc/37/39/58/329373958.db2.gz VPGJMBXKOQGSAO-MRXNPFEDSA-N 0 1 299.418 3.560 20 0 CHADMN Cc1cccc2c1OCC[C@H]2N[C@@H](C)c1cnn(C(C)C)c1 ZINC000189370079 329380407 /nfs/dbraw/zinc/38/04/07/329380407.db2.gz ROFOLDJBKYTVKZ-WMLDXEAASA-N 0 1 299.418 3.947 20 0 CHADMN CC(C)c1nc(CN(C)CC2CCCC2)cs1 ZINC000064014427 329398310 /nfs/dbraw/zinc/39/83/10/329398310.db2.gz OMGTWVZMRGCHMG-UHFFFAOYSA-N 0 1 252.427 3.889 20 0 CHADMN Cc1nccc(N2C[C@@H]3CCCC[C@H]3C2)c1Cl ZINC000509050504 332857514 /nfs/dbraw/zinc/85/75/14/332857514.db2.gz DQOWOUJSDLBEHA-RYUDHWBXSA-N 0 1 250.773 3.670 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(F)cc2F)cc1F ZINC000035016870 329544719 /nfs/dbraw/zinc/54/47/19/329544719.db2.gz XPQVLQHWMVGBFT-SNVBAGLBSA-N 0 1 295.304 3.963 20 0 CHADMN Cc1cccc2nc(CN[C@H](c3ccccc3)C3CC3)cn21 ZINC000128013754 329603907 /nfs/dbraw/zinc/60/39/07/329603907.db2.gz VFDBDHJEIAXTOY-LJQANCHMSA-N 0 1 291.398 3.884 20 0 CHADMN Cc1ncc(CN[C@H]2CCc3sc(Cl)cc32)s1 ZINC000129604148 329619206 /nfs/dbraw/zinc/61/92/06/329619206.db2.gz XJEXCQBTEYEKEM-JTQLQIEISA-N 0 1 284.837 3.944 20 0 CHADMN Cn1cncc1CNC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000237921438 329695182 /nfs/dbraw/zinc/69/51/82/329695182.db2.gz GNKFTRGOXARCLL-UHFFFAOYSA-N 0 1 298.217 3.752 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)[C@H]1CCCO1)c1cccnc1 ZINC000245604766 329713221 /nfs/dbraw/zinc/71/32/21/329713221.db2.gz LWATXJNMDNHAFE-BMGDILEWSA-N 0 1 282.387 3.653 20 0 CHADMN COc1ccc(CN2CC(C3CCC3)C2)c(Cl)c1 ZINC000514693191 329714597 /nfs/dbraw/zinc/71/45/97/329714597.db2.gz JTTUSEOAKYCXQY-UHFFFAOYSA-N 0 1 265.784 3.581 20 0 CHADMN C[C@@H](N[C@H](CO)CC(F)F)c1ccc(-c2ccccc2)o1 ZINC000429446285 329744759 /nfs/dbraw/zinc/74/47/59/329744759.db2.gz CZCRHLCPQSQMCR-YPMHNXCESA-N 0 1 295.329 3.613 20 0 CHADMN c1cncc(CNc2ccc3c(c2)nc2n3CCCCC2)c1 ZINC000419740498 329744840 /nfs/dbraw/zinc/74/48/40/329744840.db2.gz KSUZEZOUAUSNBI-UHFFFAOYSA-N 0 1 292.386 3.770 20 0 CHADMN C[C@H]1C[C@H](C)N1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000548096392 329750107 /nfs/dbraw/zinc/75/01/07/329750107.db2.gz OXKQGJPSBWUYIH-QWRGUYRKSA-N 0 1 276.767 3.978 20 0 CHADMN Cc1cc(CNCc2ccc([C@H]3C[C@H]3C)o2)cc(C)n1 ZINC000421375399 329816437 /nfs/dbraw/zinc/81/64/37/329816437.db2.gz IQOHIRSOTLBGSO-BZNIZROVSA-N 0 1 270.376 3.705 20 0 CHADMN Cc1cc(CNCc2ccc(F)cc2Cl)cc(C)n1 ZINC000421370786 329824415 /nfs/dbraw/zinc/82/44/15/329824415.db2.gz CZUNGFFALSAVML-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN c1c[nH]c(CNCCSCc2cccc3ccccc32)n1 ZINC000067694837 329851166 /nfs/dbraw/zinc/85/11/66/329851166.db2.gz YGCDJKGVTGQXKL-UHFFFAOYSA-N 0 1 297.427 3.586 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2ccc(C)o2)cc1OC ZINC000073804138 329862525 /nfs/dbraw/zinc/86/25/25/329862525.db2.gz MUPVRLDEVSOSGY-CYBMUJFWSA-N 0 1 289.375 3.846 20 0 CHADMN C/C(=C/c1ccccc1)CNCc1nc(C)cs1 ZINC000254929776 329964131 /nfs/dbraw/zinc/96/41/31/329964131.db2.gz KSHJNXJTOKZZRD-WQLSENKSSA-N 0 1 258.390 3.645 20 0 CHADMN C[C@H](NC/C=C\c1ccc(F)cc1)c1ccncc1F ZINC000509932098 332886027 /nfs/dbraw/zinc/88/60/27/332886027.db2.gz BIMPYDFAYMGXPV-DLGQBQFBSA-N 0 1 274.314 3.724 20 0 CHADMN CCCc1ccc(C[N@@H+](CCC(=O)[O-])CC(C)C)cc1 ZINC000572370968 330014206 /nfs/dbraw/zinc/01/42/06/330014206.db2.gz IBFHZFZTUAYZGH-UHFFFAOYSA-N 0 1 277.408 3.572 20 0 CHADMN Cc1ccccc1[C@@H](C(C)C)N(C)Cc1cocn1 ZINC000432743131 330014922 /nfs/dbraw/zinc/01/49/22/330014922.db2.gz SVMRJHVHIDPEEB-MRXNPFEDSA-N 0 1 258.365 3.812 20 0 CHADMN O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC000262929501 330037180 /nfs/dbraw/zinc/03/71/80/330037180.db2.gz ABDAKTFVQWBVLL-LBPRGKRZSA-N 0 1 293.750 3.525 20 0 CHADMN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC000262929501 330037181 /nfs/dbraw/zinc/03/71/81/330037181.db2.gz ABDAKTFVQWBVLL-LBPRGKRZSA-N 0 1 293.750 3.525 20 0 CHADMN CCCC1CCC(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)CC1 ZINC000263350375 330052960 /nfs/dbraw/zinc/05/29/60/330052960.db2.gz PQGYDVCJUYUCOW-LMPOIIKSSA-N 0 1 281.440 3.778 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000263399934 330054009 /nfs/dbraw/zinc/05/40/09/330054009.db2.gz HRGPMUALZANTOV-UKRRQHHQSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1ccc(-c2cccc(C[N@@H+](C)CCC(=O)[O-])c2)cc1 ZINC000263439617 330056026 /nfs/dbraw/zinc/05/60/26/330056026.db2.gz VWDMNUFBRHIQGM-UHFFFAOYSA-N 0 1 283.371 3.569 20 0 CHADMN Cc1ccc(-c2ccc(C[N@H+]3CCCC[C@H]3C(=O)[O-])o2)cc1 ZINC000263447236 330056260 /nfs/dbraw/zinc/05/62/60/330056260.db2.gz YEXHTYFIMNNENJ-INIZCTEOSA-N 0 1 299.370 3.694 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])cc2)o1 ZINC000263462625 330056907 /nfs/dbraw/zinc/05/69/07/330056907.db2.gz JFCRKBWZSCKDCQ-HNNXBMFYSA-N 0 1 285.343 3.623 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263482043 330057448 /nfs/dbraw/zinc/05/74/48/330057448.db2.gz OEYGGBXABHTASP-CZUORRHYSA-N 0 1 275.392 3.785 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263531641 330059072 /nfs/dbraw/zinc/05/90/72/330059072.db2.gz WVFQFSQVUPPUDI-QILLFSRXSA-N 0 1 293.451 3.780 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000263565597 330059605 /nfs/dbraw/zinc/05/96/05/330059605.db2.gz FOUZAXWBCZXBEG-MRXNPFEDSA-N 0 1 299.345 3.513 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC3(CCCCC3)C2)cc1 ZINC000263578009 330059942 /nfs/dbraw/zinc/05/99/42/330059942.db2.gz SEFZYEFTVJAGQD-UHFFFAOYSA-N 0 1 287.403 3.931 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2ccncc2Cl)c1 ZINC000421821785 330086886 /nfs/dbraw/zinc/08/68/86/330086886.db2.gz UCURTUJSWGVDSH-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@H](C)c1ccncc1Cl ZINC000421834813 330091711 /nfs/dbraw/zinc/09/17/11/330091711.db2.gz CVVFMXKMJORBPA-HTQZYQBOSA-N 0 1 266.694 3.727 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccncc1Cl)c1ccncc1 ZINC000421837494 330092335 /nfs/dbraw/zinc/09/23/35/330092335.db2.gz SLVVKOVXXIGCEV-XHDPSFHLSA-N 0 1 275.783 3.932 20 0 CHADMN COc1cc(Cl)ccc1[C@@H](C)N[C@H]1C[C@@H]1C(F)F ZINC000421862469 330098358 /nfs/dbraw/zinc/09/83/58/330098358.db2.gz XETMHPCBELHJAO-GGVZMXCHSA-N 0 1 275.726 3.653 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CC[C@@H](C3CCCC3)C2)c1 ZINC000421943486 330111643 /nfs/dbraw/zinc/11/16/43/330111643.db2.gz DMRCTCVUBZKCRF-CQSZACIVSA-N 0 1 297.402 3.524 20 0 CHADMN CCCC(CCC)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000162775883 330114522 /nfs/dbraw/zinc/11/45/22/330114522.db2.gz GYLZNFVJQWKHHM-CQSZACIVSA-N 0 1 296.480 3.683 20 0 CHADMN C[C@@H](c1ccc(Oc2ccccc2)cc1)[N@@H+](C)CCC(=O)[O-] ZINC000580467402 330143826 /nfs/dbraw/zinc/14/38/26/330143826.db2.gz XWWHBGPPHQYKER-AWEZNQCLSA-N 0 1 299.370 3.946 20 0 CHADMN COc1cccc(C2(NCc3cc(F)ccc3C)CC2)c1 ZINC000510201075 332896921 /nfs/dbraw/zinc/89/69/21/332896921.db2.gz STQFWWWKYPBHIP-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000081178217 330168045 /nfs/dbraw/zinc/16/80/45/330168045.db2.gz OWMIHKFVFYQXRA-WFASDCNBSA-N 0 1 285.391 3.604 20 0 CHADMN C[C@H](N[C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccncc1 ZINC000423421223 330197965 /nfs/dbraw/zinc/19/79/65/330197965.db2.gz AUOPNNJKZRAYLY-LRDDRELGSA-N 0 1 297.402 3.617 20 0 CHADMN COC[C@@H](C)CN1CCc2c(Cl)cc(Cl)cc2C1 ZINC000527116634 330223279 /nfs/dbraw/zinc/22/32/79/330223279.db2.gz OGKLBDGHTYGMAF-JTQLQIEISA-N 0 1 288.218 3.634 20 0 CHADMN Cc1cc(C)c(CNCc2cc(Cl)cs2)cn1 ZINC000396964943 330232410 /nfs/dbraw/zinc/23/24/10/330232410.db2.gz AUGKSEWYCPYXDN-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN CC[C@@H](O)[C@H]1CCCCN1Cc1cccc(Cl)c1F ZINC000527213390 330237364 /nfs/dbraw/zinc/23/73/64/330237364.db2.gz IMEYNWFIWXLPDQ-ZIAGYGMSSA-N 0 1 285.790 3.605 20 0 CHADMN C[C@@H]1SCCN(CC2(F)CC2)[C@@H]1c1ccccc1 ZINC000527510718 330255388 /nfs/dbraw/zinc/25/53/88/330255388.db2.gz OJEOXJSEWJJNCO-JSGCOSHPSA-N 0 1 265.397 3.667 20 0 CHADMN C[C@@H]1CC(F)(F)CCN1Cc1ccc2ccccc2n1 ZINC000528765108 330257106 /nfs/dbraw/zinc/25/71/06/330257106.db2.gz GTQJFWUVISELIW-GFCCVEGCSA-N 0 1 276.330 3.854 20 0 CHADMN Cc1cc(CN(C)Cc2ccccc2N2CCCC2)ccn1 ZINC000527531840 330262606 /nfs/dbraw/zinc/26/26/06/330262606.db2.gz BTOCCIGYHNWEQL-UHFFFAOYSA-N 0 1 295.430 3.622 20 0 CHADMN COc1ccccc1[C@H](CO)N[C@H](C)c1cccc(C)c1C ZINC000536871039 330265982 /nfs/dbraw/zinc/26/59/82/330265982.db2.gz OPZHMIMUEXSUSN-QAPCUYQASA-N 0 1 299.414 3.696 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1ccncc1Cl ZINC000527650025 330272048 /nfs/dbraw/zinc/27/20/48/330272048.db2.gz VHCXXMVFCOBFTF-HNNXBMFYSA-N 0 1 276.742 3.651 20 0 CHADMN Cc1ncc(CNCc2ccsc2C(F)(F)F)s1 ZINC000527652251 330272551 /nfs/dbraw/zinc/27/25/51/330272551.db2.gz DFNNBWYYDFYWSK-UHFFFAOYSA-N 0 1 292.351 3.822 20 0 CHADMN C[C@H]1Cc2ccccc2[C@@H]1NCc1ccncc1Cl ZINC000527659402 330273613 /nfs/dbraw/zinc/27/36/13/330273613.db2.gz REIFGQZOESKVCE-MEDUHNTESA-N 0 1 272.779 3.758 20 0 CHADMN CO[C@@](C)(CNCc1c(F)ccc(F)c1Cl)C1CC1 ZINC000527710223 330275858 /nfs/dbraw/zinc/27/58/58/330275858.db2.gz JSPLJOXTYYBKSW-AWEZNQCLSA-N 0 1 289.753 3.523 20 0 CHADMN c1cc(CN[C@H](c2ccccn2)C2CCC2)cs1 ZINC000527771461 330282032 /nfs/dbraw/zinc/28/20/32/330282032.db2.gz IYMOHNKGHGLIGZ-HNNXBMFYSA-N 0 1 258.390 3.774 20 0 CHADMN Cc1occc1CN[C@@H](c1ccccn1)C1CCC1 ZINC000527771096 330282074 /nfs/dbraw/zinc/28/20/74/330282074.db2.gz ILZPBXPLMRPPKM-MRXNPFEDSA-N 0 1 256.349 3.614 20 0 CHADMN COc1ccc(C(C)(C)NCc2ccccc2F)cc1F ZINC000527781667 330283110 /nfs/dbraw/zinc/28/31/10/330283110.db2.gz ODBYTZHJTBJTMW-UHFFFAOYSA-N 0 1 291.341 3.998 20 0 CHADMN CCCCOc1ccccc1CNCc1cccnc1C ZINC000527793542 330283621 /nfs/dbraw/zinc/28/36/21/330283621.db2.gz KPFPXWWAQFBWFR-UHFFFAOYSA-N 0 1 284.403 3.859 20 0 CHADMN CC[C@@H](NCc1cc(C)n(C)n1)c1cc(C)ccc1C ZINC000527821360 330286206 /nfs/dbraw/zinc/28/62/06/330286206.db2.gz NKMKPSIUSHPJPL-QGZVFWFLSA-N 0 1 271.408 3.586 20 0 CHADMN Cc1cccnc1CN[C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527858563 330289205 /nfs/dbraw/zinc/28/92/05/330289205.db2.gz LHDSERHRVPBVOA-OAHLLOKOSA-N 0 1 290.769 3.960 20 0 CHADMN CC(C)n1cncc1CNC1(c2ccc(Cl)cc2)CC1 ZINC000424144212 330289615 /nfs/dbraw/zinc/28/96/15/330289615.db2.gz KTPUTGTYEAOZLM-UHFFFAOYSA-N 0 1 289.810 3.896 20 0 CHADMN C[C@H](N[C@H]1CCc2cc(F)c(Cl)cc21)c1cn[nH]c1 ZINC000527874549 330291147 /nfs/dbraw/zinc/29/11/47/330291147.db2.gz FBCDTVPVCGAZPQ-RTHLEPHNSA-N 0 1 279.746 3.540 20 0 CHADMN Cc1ccncc1CN[C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527902043 330293468 /nfs/dbraw/zinc/29/34/68/330293468.db2.gz DXGIURAIFLWYEZ-MRXNPFEDSA-N 0 1 290.769 3.960 20 0 CHADMN C[C@H](N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1nccs1 ZINC000527941658 330293980 /nfs/dbraw/zinc/29/39/80/330293980.db2.gz HQGJRGBYLDXRQQ-ZLCVWYCYSA-N 0 1 290.819 3.785 20 0 CHADMN CC(C)Cc1ccccc1CN[C@@H](c1nccn1C)C1CC1 ZINC000527921229 330295792 /nfs/dbraw/zinc/29/57/92/330295792.db2.gz QLJHCKDRZPAKFR-GOSISDBHSA-N 0 1 297.446 3.860 20 0 CHADMN COCCC1CCN([C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000527935639 330297932 /nfs/dbraw/zinc/29/79/32/330297932.db2.gz NBRLITBRQVLENA-INIZCTEOSA-N 0 1 295.373 3.701 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cccnc1C)CCCO2 ZINC000527984406 330298566 /nfs/dbraw/zinc/29/85/66/330298566.db2.gz GCYOBCPXNOSYDL-KRWDZBQOSA-N 0 1 282.387 3.702 20 0 CHADMN CC(C)O[C@@]1(C)C[C@H]1N[C@H](C)c1nc2c(s1)CCCC2 ZINC000528002444 330300203 /nfs/dbraw/zinc/30/02/03/330300203.db2.gz XXBHGQMSMGNUEE-XFJVYGCCSA-N 0 1 294.464 3.629 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](c2ccccn2)C2CCC2)c(C)n1 ZINC000527966943 330301336 /nfs/dbraw/zinc/30/13/36/330301336.db2.gz LUOSLLBTDORNAZ-SCLBCKFNSA-N 0 1 296.418 3.680 20 0 CHADMN CC1(C)CC(CN2CCO[C@H](c3cccs3)C2)C1 ZINC000528403409 330303319 /nfs/dbraw/zinc/30/33/19/330303319.db2.gz LAPPWLTZXSTEHK-ZDUSSCGKSA-N 0 1 265.422 3.558 20 0 CHADMN COc1ccc([C@H](N[C@@H](C)c2ccc(C)o2)C2CC2)cn1 ZINC000528042689 330305883 /nfs/dbraw/zinc/30/58/83/330305883.db2.gz HATAVWXOVPSQRB-YVEFUNNKSA-N 0 1 286.375 3.794 20 0 CHADMN CCc1cccc2c1OCC[C@@H]2NCc1cncn1C(C)C ZINC000424159372 330306263 /nfs/dbraw/zinc/30/62/63/330306263.db2.gz SKGKRYZIQFBWSE-KRWDZBQOSA-N 0 1 299.418 3.640 20 0 CHADMN C[C@H]1CCC[C@H]([NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000328080952 330311800 /nfs/dbraw/zinc/31/18/00/330311800.db2.gz BMKMHDGGZYMBEB-JQWIXIFHSA-N 0 1 253.773 3.714 20 0 CHADMN Cc1ccc(-c2nc(CN[C@@H]3CC34CC4)cs2)cc1 ZINC000424184518 330320221 /nfs/dbraw/zinc/32/02/21/330320221.db2.gz MNBBOCXAEDIITH-CQSZACIVSA-N 0 1 270.401 3.761 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cc(CO)ccc2F)cc1 ZINC000528347916 330321323 /nfs/dbraw/zinc/32/13/23/330321323.db2.gz ANTNTBLFDCWXMV-CQSZACIVSA-N 0 1 287.378 3.819 20 0 CHADMN COCc1cccc(CN[C@@H]2C[C@]2(F)c2ccccc2)c1 ZINC000424189325 330322197 /nfs/dbraw/zinc/32/21/97/330322197.db2.gz DGUXRIDDCRKHCB-MSOLQXFVSA-N 0 1 285.362 3.560 20 0 CHADMN CCN(Cc1nc2c(cccc2F)n1CC)C1CCC1 ZINC000532977468 330323673 /nfs/dbraw/zinc/32/36/73/330323673.db2.gz IAEKJAQPBWOTJJ-UHFFFAOYSA-N 0 1 275.371 3.570 20 0 CHADMN Cc1[nH]ncc1CNc1cc(Cl)ccc1OC(F)F ZINC000424207247 330327807 /nfs/dbraw/zinc/32/78/07/330327807.db2.gz XMFFNHKGGWREST-UHFFFAOYSA-N 0 1 287.697 3.585 20 0 CHADMN CC(C)CCOCCNCc1ccc(F)cc1Cl ZINC000045106937 330338771 /nfs/dbraw/zinc/33/87/71/330338771.db2.gz UCFRILWDBRBELE-UHFFFAOYSA-N 0 1 273.779 3.631 20 0 CHADMN CC[C@H](N[C@H]1C[C@]1(F)c1ccccc1)c1ccncc1 ZINC000424313310 330338968 /nfs/dbraw/zinc/33/89/68/330338968.db2.gz ATFXENMTUWTNSJ-ULQDDVLXSA-N 0 1 270.351 3.760 20 0 CHADMN C[C@H](CCc1nc(C2(N)CCCCC2)no1)c1ccccc1 ZINC000424343646 330344437 /nfs/dbraw/zinc/34/44/37/330344437.db2.gz KBYCRKIYKOTKNA-CQSZACIVSA-N 0 1 299.418 3.924 20 0 CHADMN CCC(CC)[C@@H](C)c1nc(C2(N)CCCCC2)no1 ZINC000424345000 330344539 /nfs/dbraw/zinc/34/45/39/330344539.db2.gz MHLDJSYDYUNWSB-LLVKDONJSA-N 0 1 265.401 3.727 20 0 CHADMN COc1ccc([C@H](C)N[C@H]2C[C@@H]2C(F)F)c(Cl)c1 ZINC000424351889 330345628 /nfs/dbraw/zinc/34/56/28/330345628.db2.gz PQOLMZPKLRETNB-JWYUURKGSA-N 0 1 275.726 3.653 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2CCCc3occc32)s1 ZINC000080693440 330349379 /nfs/dbraw/zinc/34/93/79/330349379.db2.gz MNGDXAIWYWERHC-GFCCVEGCSA-N 0 1 262.378 3.520 20 0 CHADMN Cc1nc(C)c(CN[C@H]2CCCc3occc32)s1 ZINC000080693449 330349390 /nfs/dbraw/zinc/34/93/90/330349390.db2.gz MNGDXAIWYWERHC-LBPRGKRZSA-N 0 1 262.378 3.520 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc(C3CCC3)cc2)[C@@H]1C(=O)[O-] ZINC000424414639 330350474 /nfs/dbraw/zinc/35/04/74/330350474.db2.gz RDMCXMQVBLQGEU-GUYCJALGSA-N 0 1 287.403 3.639 20 0 CHADMN CN(Cc1cc(Cl)ccc1OC(F)F)C1CC1 ZINC000046601920 330354810 /nfs/dbraw/zinc/35/48/10/330354810.db2.gz HQSYDCVIVSWNOL-UHFFFAOYSA-N 0 1 261.699 3.536 20 0 CHADMN C[C@@H](N(C)Cc1ncc(C(C)(C)C)o1)C(C)(C)C ZINC000533250487 330355374 /nfs/dbraw/zinc/35/53/74/330355374.db2.gz OIBFPXCPNFCDFO-LLVKDONJSA-N 0 1 252.402 3.839 20 0 CHADMN Cc1cccc(CN(Cc2cccc(C)n2)CC(C)C)n1 ZINC000083595342 330358488 /nfs/dbraw/zinc/35/84/88/330358488.db2.gz PPJQMWZTUVQDNK-UHFFFAOYSA-N 0 1 283.419 3.752 20 0 CHADMN c1cc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)on1 ZINC000533334416 330358831 /nfs/dbraw/zinc/35/88/31/330358831.db2.gz KYYMQJXLLVUKJH-GFCCVEGCSA-N 0 1 299.399 3.664 20 0 CHADMN C[C@H]1CCN(C(=O)c2ccc(O)c(Cl)c2)C[C@H](C)C1 ZINC000119354210 330372514 /nfs/dbraw/zinc/37/25/14/330372514.db2.gz DFIBTEPLEFVOJT-WDEREUQCSA-N 0 1 281.783 3.554 20 0 CHADMN Cn1cccc1[C@H]1CCCN1Cc1cccc(F)c1 ZINC000057622915 330377234 /nfs/dbraw/zinc/37/72/34/330377234.db2.gz PESWVHSFWVZTFM-MRXNPFEDSA-N 0 1 258.340 3.501 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2ccc(C)c(F)c2)n1 ZINC000119710923 330378999 /nfs/dbraw/zinc/37/89/99/330378999.db2.gz ILCPWUQHFLLRGS-CYBMUJFWSA-N 0 1 288.366 3.779 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000120220799 330386365 /nfs/dbraw/zinc/38/63/65/330386365.db2.gz IQIWDLHQNFQUTF-ZIAGYGMSSA-N 0 1 274.408 3.621 20 0 CHADMN CCC[C@@H]1CCCN(CC(=O)Nc2c(C)cccc2C)C1 ZINC000120854417 330393038 /nfs/dbraw/zinc/39/30/38/330393038.db2.gz PXVRNENCRVWINY-MRXNPFEDSA-N 0 1 288.435 3.754 20 0 CHADMN COc1ncccc1CN[C@@H](c1ccccc1C)C1CC1 ZINC000091283840 330399657 /nfs/dbraw/zinc/39/96/57/330399657.db2.gz OQSOWRPCPIBAPX-QGZVFWFLSA-N 0 1 282.387 3.640 20 0 CHADMN Cc1ccc(CNCc2cc(Cl)cs2)nc1C ZINC000314845149 330464334 /nfs/dbraw/zinc/46/43/34/330464334.db2.gz UTGJPWSCOVYXPN-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN CCC(CC)(CC)CN[C@H](C)c1ncc(C(=O)OC)s1 ZINC000314980256 330469464 /nfs/dbraw/zinc/46/94/64/330469464.db2.gz OVNZHTCXTLBNAV-LLVKDONJSA-N 0 1 298.452 3.797 20 0 CHADMN CCCc1nc(C)c(CN[C@@H](c2cccnc2)C2CCC2)o1 ZINC000426328226 330504390 /nfs/dbraw/zinc/50/43/90/330504390.db2.gz BMOYPBKLEGDEQC-GOSISDBHSA-N 0 1 299.418 3.962 20 0 CHADMN CC(C)C1(C)CCN(Cc2ccc([S@](C)=O)cc2)CC1 ZINC000428488495 330526739 /nfs/dbraw/zinc/52/67/39/330526739.db2.gz TUWBRGMRKZCFEA-FQEVSTJZSA-N 0 1 293.476 3.682 20 0 CHADMN Cc1ncc(CNCc2ccc(C(F)(F)F)s2)s1 ZINC000428852191 330532317 /nfs/dbraw/zinc/53/23/17/330532317.db2.gz VFEWPQBFSVKTDV-UHFFFAOYSA-N 0 1 292.351 3.822 20 0 CHADMN CCn1c(C)cc(C(=O)CN(C2CCC2)C2CCC2)c1C ZINC000429185091 330539709 /nfs/dbraw/zinc/53/97/09/330539709.db2.gz USWAEIKHIVDHDM-UHFFFAOYSA-N 0 1 288.435 3.715 20 0 CHADMN CCCc1nc(CN[C@H]2C[C@H](OC)C2(CC)CC)cs1 ZINC000429291742 330542951 /nfs/dbraw/zinc/54/29/51/330542951.db2.gz JBLZNBPVWNDMRX-KBPBESRZSA-N 0 1 296.480 3.779 20 0 CHADMN C[C@H](N[C@@H](CO)CC(F)F)c1cc(Cl)ccc1Cl ZINC000429466701 330547560 /nfs/dbraw/zinc/54/75/60/330547560.db2.gz NAWZSRFQSYFGAM-IONNQARKSA-N 0 1 298.160 3.660 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@H]2CCC[C@H]2CC)n1 ZINC000429792081 330554990 /nfs/dbraw/zinc/55/49/90/330554990.db2.gz UBLBOEKHSHVJMV-UTUOFQBUSA-N 0 1 283.441 3.552 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H]2CCC[C@@H]2CC)n1 ZINC000429792078 330555022 /nfs/dbraw/zinc/55/50/22/330555022.db2.gz UBLBOEKHSHVJMV-GRYCIOLGSA-N 0 1 283.441 3.552 20 0 CHADMN COc1ccccc1[C@@H](NC1CC(C)(C)C1)c1ccccn1 ZINC000433303548 330624144 /nfs/dbraw/zinc/62/41/44/330624144.db2.gz LGFWDODSDAKJCU-GOSISDBHSA-N 0 1 296.414 3.958 20 0 CHADMN FC(F)(F)c1cnc(CNC[C@@H]2CCCCS2)s1 ZINC000433321116 330626042 /nfs/dbraw/zinc/62/60/42/330626042.db2.gz MWRQOJONMSCALU-QMMMGPOBSA-N 0 1 296.383 3.537 20 0 CHADMN FC1(c2ccccc2)CCN(Cc2ccccn2)CC1 ZINC000434494684 330640074 /nfs/dbraw/zinc/64/00/74/330640074.db2.gz PPFUGILQCBCYLU-UHFFFAOYSA-N 0 1 270.351 3.542 20 0 CHADMN Fc1ccc2c(c1)nccc2NCCCc1ccccn1 ZINC000434943766 330646874 /nfs/dbraw/zinc/64/68/74/330646874.db2.gz RMIYEYBMTBGWTJ-UHFFFAOYSA-N 0 1 281.334 3.814 20 0 CHADMN C[C@H]1CCC[C@@H](NCc2noc(-c3ccccc3F)n2)C1 ZINC000435036882 330648480 /nfs/dbraw/zinc/64/84/80/330648480.db2.gz WMMWRAWTGOOPPA-NWDGAFQWSA-N 0 1 289.354 3.544 20 0 CHADMN FC(F)(F)c1cnc(CN(CC2CC2)CC2CC2)s1 ZINC000435126832 330649893 /nfs/dbraw/zinc/64/98/93/330649893.db2.gz RIMJUYLFSWDDTB-UHFFFAOYSA-N 0 1 290.354 3.784 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1CCc2cc(Cl)ccc21 ZINC000153969763 330650710 /nfs/dbraw/zinc/65/07/10/330650710.db2.gz AQBUQTMRCZBXKH-OAHLLOKOSA-N 0 1 276.767 3.722 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(O)c(Cl)c1 ZINC000436637708 330681930 /nfs/dbraw/zinc/68/19/30/330681930.db2.gz AMURWGHSQMJEGZ-GYSYKLTISA-N 0 1 293.794 3.839 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H](C)CC(C)(C)C)c1 ZINC000436643808 330682138 /nfs/dbraw/zinc/68/21/38/330682138.db2.gz GMSGMPJIUDLXMN-NSHDSACASA-N 0 1 291.391 3.996 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C[C@H](C)CC(C)C)c1 ZINC000436653247 330682315 /nfs/dbraw/zinc/68/23/15/330682315.db2.gz TYVBQBAETTWHQV-GFCCVEGCSA-N 0 1 291.391 3.996 20 0 CHADMN CC[C@H](NC(=O)c1ccc(O)c(Cl)c1)C(C)(C)C ZINC000436735391 330683851 /nfs/dbraw/zinc/68/38/51/330683851.db2.gz CTVWQBVQFXBEHR-LBPRGKRZSA-N 0 1 269.772 3.600 20 0 CHADMN CC[C@H]1CC[C@H](NC(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000436896976 330688148 /nfs/dbraw/zinc/68/81/48/330688148.db2.gz VRPIUOMGYARPTL-UMSPYCQHSA-N 0 1 281.783 3.744 20 0 CHADMN Fc1cc(CN2CCC([C@H]3CCCO3)CC2)ccc1Cl ZINC000439767644 330742799 /nfs/dbraw/zinc/74/27/99/330742799.db2.gz KDPWXMRGIDVHCJ-MRXNPFEDSA-N 0 1 297.801 3.870 20 0 CHADMN CC[C@H](F)CN[C@H](c1ccc(F)cc1F)C(C)C ZINC000440602732 330752217 /nfs/dbraw/zinc/75/22/17/330752217.db2.gz ZHQIXPDTKJMJOI-HZMBPMFUSA-N 0 1 259.315 4.000 20 0 CHADMN COc1ccc(C2(N[C@@H](C)c3cccc(O)c3)CC2)cc1 ZINC000442859553 330787841 /nfs/dbraw/zinc/78/78/41/330787841.db2.gz AMJDSHGRYWCXBN-ZDUSSCGKSA-N 0 1 283.371 3.741 20 0 CHADMN C[C@H](NCc1ccncc1OCC(F)F)c1cccs1 ZINC000442876804 330789725 /nfs/dbraw/zinc/78/97/25/330789725.db2.gz YDIMPZGSTLSKED-JTQLQIEISA-N 0 1 298.358 3.638 20 0 CHADMN CC(C)CCc1noc([C@@H](C)N2CCCCCC2)n1 ZINC000443091253 330794502 /nfs/dbraw/zinc/79/45/02/330794502.db2.gz ZPEPXPKPFYWSIS-CYBMUJFWSA-N 0 1 265.401 3.595 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1nc(-c2cc3ccccc3o2)no1 ZINC000443102099 330795054 /nfs/dbraw/zinc/79/50/54/330795054.db2.gz GLCYNRNRBIQPIE-VXGBXAGGSA-N 0 1 297.358 3.856 20 0 CHADMN CCc1ccccc1-c1noc(CN2[C@H](C)CC[C@H]2C)n1 ZINC000443195019 330796302 /nfs/dbraw/zinc/79/63/02/330796302.db2.gz HXIYUTJBALJOKI-CHWSQXEVSA-N 0 1 285.391 3.672 20 0 CHADMN CC[C@@H](CO)Nc1cc(C)nc2c(C)cc(Cl)cc12 ZINC000443996183 330808831 /nfs/dbraw/zinc/80/88/31/330808831.db2.gz IXKBTGXPWGRMRR-LBPRGKRZSA-N 0 1 278.783 3.688 20 0 CHADMN CC(C)c1nnc(CNCC[C@@H](C)c2ccccc2)s1 ZINC000447810250 330877465 /nfs/dbraw/zinc/87/74/65/330877465.db2.gz HRGJANSEKMVYIY-CYBMUJFWSA-N 0 1 289.448 3.945 20 0 CHADMN C[C@H](CNCc1ncc(C(C)(C)C)s1)C(F)(F)F ZINC000447895858 330879509 /nfs/dbraw/zinc/87/95/09/330879509.db2.gz GZJLVJSCSGVQBA-MRVPVSSYSA-N 0 1 280.359 3.729 20 0 CHADMN C[C@@H](CNCc1ncc(C(C)(C)C)s1)C(F)(F)F ZINC000447895859 330879523 /nfs/dbraw/zinc/87/95/23/330879523.db2.gz GZJLVJSCSGVQBA-QMMMGPOBSA-N 0 1 280.359 3.729 20 0 CHADMN CC(C)C[C@H](C)Cc1nc(-c2ccn3cncc3c2)no1 ZINC000447958082 330881480 /nfs/dbraw/zinc/88/14/80/330881480.db2.gz DOPFHKXDFNYOHV-LBPRGKRZSA-N 0 1 284.363 3.609 20 0 CHADMN CCOCc1ccc(CNCc2ccc(C)cc2OC)cc1 ZINC000449077998 330897655 /nfs/dbraw/zinc/89/76/55/330897655.db2.gz SWVFEISGNQITOR-UHFFFAOYSA-N 0 1 299.414 3.830 20 0 CHADMN CC(C)Oc1ccc([C@@H](C)NCc2ccncc2F)cc1 ZINC000449085776 330898123 /nfs/dbraw/zinc/89/81/23/330898123.db2.gz ACEUBYYIBZUVJA-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN CCCOc1ccc(CNCc2cccc(C)c2F)cn1 ZINC000449089845 330898452 /nfs/dbraw/zinc/89/84/52/330898452.db2.gz LEXYUQMKVMYDQY-UHFFFAOYSA-N 0 1 288.366 3.608 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2NCc1ccnn1C1CCCC1 ZINC000449096638 330898745 /nfs/dbraw/zinc/89/87/45/330898745.db2.gz JEHHEIMFGLPXPQ-GOSISDBHSA-N 0 1 299.393 3.914 20 0 CHADMN CC(C)COC[C@H](N[C@H](C)Cc1ccoc1)c1ccco1 ZINC000449108554 330899507 /nfs/dbraw/zinc/89/95/07/330899507.db2.gz RTABUQSFVPRCJH-ZBFHGGJFSA-N 0 1 291.391 3.807 20 0 CHADMN Cc1cc([C@H](C)NCc2cc3cccnc3o2)c(C)o1 ZINC000449109495 330899657 /nfs/dbraw/zinc/89/96/57/330899657.db2.gz YUTLAXVRFGXPKT-NSHDSACASA-N 0 1 270.332 3.888 20 0 CHADMN C[C@@H](NCc1ccncc1F)c1cccc(N2CCCC2)c1 ZINC000449185473 330904616 /nfs/dbraw/zinc/90/46/16/330904616.db2.gz HUUKGDFFPGQBAY-CQSZACIVSA-N 0 1 299.393 3.672 20 0 CHADMN COc1cccc2c1CC[C@H]2NCc1cccc(C)c1F ZINC000449191420 330905154 /nfs/dbraw/zinc/90/51/54/330905154.db2.gz SGBQAUVANWYGOA-MRXNPFEDSA-N 0 1 285.362 3.920 20 0 CHADMN Fc1cnccc1CNC[C@H](c1ccccc1)C(F)(F)F ZINC000449256791 330910380 /nfs/dbraw/zinc/91/03/80/330910380.db2.gz JXEJRJRSCDHZIF-CYBMUJFWSA-N 0 1 298.283 3.656 20 0 CHADMN Cc1ccccc1[C@H](N)C(=O)N(C)c1cccc(C(C)C)c1 ZINC000449258387 330910501 /nfs/dbraw/zinc/91/05/01/330910501.db2.gz PHVKPHLOVDUZBA-SFHVURJKSA-N 0 1 296.414 3.781 20 0 CHADMN CC(C)(C)OCc1cc(CN[C@@H]2CCCC23CCC3)no1 ZINC000449260088 330910646 /nfs/dbraw/zinc/91/06/46/330910646.db2.gz WHFMAPSWGDSVBV-OAHLLOKOSA-N 0 1 292.423 3.802 20 0 CHADMN COc1cc(F)cc(CNC(C)(C)c2ccccc2F)c1 ZINC000449340878 330916429 /nfs/dbraw/zinc/91/64/29/330916429.db2.gz QTNCTMQUFCNSOZ-UHFFFAOYSA-N 0 1 291.341 3.998 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2cccc(C3CC3)c2)cn1 ZINC000449349119 330917197 /nfs/dbraw/zinc/91/71/97/330917197.db2.gz OWHGUCLAEJDPMY-LBPRGKRZSA-N 0 1 267.376 3.513 20 0 CHADMN CC[C@@H](N[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1)C(F)F ZINC000449359393 330918628 /nfs/dbraw/zinc/91/86/28/330918628.db2.gz HSLWHNXXCPRFHK-BXUZGUMPSA-N 0 1 292.373 3.967 20 0 CHADMN COc1cccc(CN2CCC(CF)CC2)c1OC(C)C ZINC000449464745 330927684 /nfs/dbraw/zinc/92/76/84/330927684.db2.gz ZAXPEMKAVWZPOD-UHFFFAOYSA-N 0 1 295.398 3.664 20 0 CHADMN CO[C@@H]([C@@H](C)NCc1csc(Cl)c1Cl)C1CC1 ZINC000449634636 330941353 /nfs/dbraw/zinc/94/13/53/330941353.db2.gz WJYPZHYANNJNGA-HQJQHLMTSA-N 0 1 294.247 3.958 20 0 CHADMN Cc1ccnc(NC[C@H]2CSc3ccccc32)c1 ZINC000450566858 330987063 /nfs/dbraw/zinc/98/70/63/330987063.db2.gz SVOZMGALZZDQHF-LBPRGKRZSA-N 0 1 256.374 3.691 20 0 CHADMN CCC[C@H](NCC1=CCCCC1)c1nnc2ccccn21 ZINC000450730495 330996643 /nfs/dbraw/zinc/99/66/43/330996643.db2.gz WRIJWTRYLQJBSE-HNNXBMFYSA-N 0 1 284.407 3.661 20 0 CHADMN C[C@@H](NCCC(C)(F)F)c1nc2c(s1)CCCC2 ZINC000450768562 330999124 /nfs/dbraw/zinc/99/91/24/330999124.db2.gz WSMLNBKYMNYMBL-SECBINFHSA-N 0 1 274.380 3.718 20 0 CHADMN CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000450814931 331000919 /nfs/dbraw/zinc/00/09/19/331000919.db2.gz ZYEGZDYLQXGDOD-AAEUAGOBSA-N 0 1 279.453 3.816 20 0 CHADMN CC[C@H]1CCCC[C@@H]1N(C)Cc1nnc(C2CC2)s1 ZINC000450814931 331000920 /nfs/dbraw/zinc/00/09/20/331000920.db2.gz ZYEGZDYLQXGDOD-AAEUAGOBSA-N 0 1 279.453 3.816 20 0 CHADMN CN(CCC1=CCCCC1)Cc1cn2c(n1)CCCC2 ZINC000450862035 331003542 /nfs/dbraw/zinc/00/35/42/331003542.db2.gz ZJHOFDGAXGHTCF-UHFFFAOYSA-N 0 1 273.424 3.542 20 0 CHADMN OC[C@H](NCC1=CCCCC1)c1cccc(Cl)c1F ZINC000450910315 331006565 /nfs/dbraw/zinc/00/65/65/331006565.db2.gz UYAJBDKZIGAIHU-AWEZNQCLSA-N 0 1 283.774 3.603 20 0 CHADMN c1cncc(C2=CCC[N@H+](CC3=CCCCC3)C2)c1 ZINC000451025909 331012256 /nfs/dbraw/zinc/01/22/56/331012256.db2.gz MACWGEWTHOLUPU-UHFFFAOYSA-N 0 1 254.377 3.671 20 0 CHADMN COc1ncc(CN[C@@H](C)c2cccc(C3CC3)c2)c(C)n1 ZINC000451117355 331016225 /nfs/dbraw/zinc/01/62/25/331016225.db2.gz UAMFNNNRNSLEFR-LBPRGKRZSA-N 0 1 297.402 3.522 20 0 CHADMN Cc1ccccc1CCN(C)Cc1ccncc1Cl ZINC000451165578 331018485 /nfs/dbraw/zinc/01/84/85/331018485.db2.gz DRJPGIDHKLWLFS-UHFFFAOYSA-N 0 1 274.795 3.718 20 0 CHADMN C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CC[C@H](F)C1 ZINC000451195500 331019846 /nfs/dbraw/zinc/01/98/46/331019846.db2.gz XRCLYBQKDLNEEN-ONGXEEELSA-N 0 1 277.261 3.690 20 0 CHADMN CC(=O)Nc1nc(CN2CCC[C@@]2(C)CC(C)C)cs1 ZINC000451295633 331023571 /nfs/dbraw/zinc/02/35/71/331023571.db2.gz ZTWWZJCGLOSPHL-HNNXBMFYSA-N 0 1 295.452 3.502 20 0 CHADMN C[C@@]12C[N@@H+](Cc3cc(-c4ccco4)on3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451364639 331025919 /nfs/dbraw/zinc/02/59/19/331025919.db2.gz VFSYCLZJRKAPBE-OSDKZWGASA-N 0 1 296.370 3.579 20 0 CHADMN CCO[C@H]1CCN(Cc2nc3ccccc3s2)C[C@H]1C ZINC000451524258 331032399 /nfs/dbraw/zinc/03/23/99/331032399.db2.gz KVAMFTFSXZBIMS-OCCSQVGLSA-N 0 1 290.432 3.543 20 0 CHADMN CO[C@@H]1CCN([C@@H](C)c2cc(F)ccc2F)CC1(C)C ZINC000451546272 331033601 /nfs/dbraw/zinc/03/36/01/331033601.db2.gz BFJGIEKGLRZUPH-XHDPSFHLSA-N 0 1 283.362 3.773 20 0 CHADMN CCO[C@@H]1CCN(Cc2ccc(Cl)cc2OC)C[C@@H]1C ZINC000451551865 331034017 /nfs/dbraw/zinc/03/40/17/331034017.db2.gz YCXOBSGDPSZBSO-SWLSCSKDSA-N 0 1 297.826 3.596 20 0 CHADMN Cc1nc(CCN2CC3(CCC3)[C@H]2c2ccco2)cs1 ZINC000451868151 331045542 /nfs/dbraw/zinc/04/55/42/331045542.db2.gz ZMLRXZMVMRDTIT-OAHLLOKOSA-N 0 1 288.416 3.814 20 0 CHADMN CC[C@]1(CO)CCC[N@@H+](Cc2ccc(C)c(Cl)c2)C1 ZINC000194761636 331046214 /nfs/dbraw/zinc/04/62/14/331046214.db2.gz UROVBRZAVHELIB-INIZCTEOSA-N 0 1 281.827 3.633 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC[C@]2(CCOC2)C1 ZINC000451895011 331046564 /nfs/dbraw/zinc/04/65/64/331046564.db2.gz DGROQKGDEZDZQS-WBMJQRKESA-N 0 1 281.346 3.528 20 0 CHADMN COC[C@H]1CCCN([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000452073362 331052900 /nfs/dbraw/zinc/05/29/00/331052900.db2.gz AXYVCIREQDGSHO-KBPBESRZSA-N 0 1 294.439 3.782 20 0 CHADMN COC[C@@H]1CCCN([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000452073372 331052920 /nfs/dbraw/zinc/05/29/20/331052920.db2.gz AXYVCIREQDGSHO-ZIAGYGMSSA-N 0 1 294.439 3.782 20 0 CHADMN CN(Cc1ccc(Cl)s1)C(=O)c1c(O)cccc1F ZINC000163620493 331062809 /nfs/dbraw/zinc/06/28/09/331062809.db2.gz QQLHDOQLBJOSSB-UHFFFAOYSA-N 0 1 299.754 3.518 20 0 CHADMN CC[C@@H](C)N[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000453061958 331085524 /nfs/dbraw/zinc/08/55/24/331085524.db2.gz UBZRKXBLMMVNNL-BZNIZROVSA-N 0 1 276.330 3.837 20 0 CHADMN CC[C@H](C)N[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000453061959 331085593 /nfs/dbraw/zinc/08/55/93/331085593.db2.gz UBZRKXBLMMVNNL-MEDUHNTESA-N 0 1 276.330 3.837 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(F)cc1F ZINC000453136825 331093075 /nfs/dbraw/zinc/09/30/75/331093075.db2.gz KSLQMLRZISBWEM-ZUZCIYMTSA-N 0 1 279.334 3.736 20 0 CHADMN CO[C@@H]1C[C@@H](N[C@@H](C)c2csc(C(C)C)n2)C12CCC2 ZINC000453138214 331093197 /nfs/dbraw/zinc/09/31/97/331093197.db2.gz HEGWJLNHEHVMIS-IACUBPJLSA-N 0 1 294.464 3.875 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](CO)c2cccc(F)c2)cs1 ZINC000453139295 331093266 /nfs/dbraw/zinc/09/32/66/331093266.db2.gz IBPYWDUATKSZLX-NHYWBVRUSA-N 0 1 279.380 3.580 20 0 CHADMN CC(C)C[C@@H](C)N(C)C(=O)CNc1ccc2cnccc2c1 ZINC000453150867 331094478 /nfs/dbraw/zinc/09/44/78/331094478.db2.gz SXWUXFQWGOGXAS-CQSZACIVSA-N 0 1 299.418 3.540 20 0 CHADMN C[C@@H](Cc1cnccn1)N[C@@H](C)c1c(F)cccc1Cl ZINC000453151635 331094640 /nfs/dbraw/zinc/09/46/40/331094640.db2.gz NOWQJMSGCWMRAJ-QWRGUYRKSA-N 0 1 293.773 3.551 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](CO)c2ccsc2)cs1 ZINC000453198464 331100496 /nfs/dbraw/zinc/10/04/96/331100496.db2.gz OYHANDWQBZRZJX-ZWNOBZJWSA-N 0 1 267.419 3.502 20 0 CHADMN CC[C@H](N[C@@H](CO)c1ccsc1)c1ccsc1 ZINC000453206283 331101386 /nfs/dbraw/zinc/10/13/86/331101386.db2.gz XZNOUJAPOFGSKG-STQMWFEESA-N 0 1 267.419 3.584 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H](CC(F)(F)F)C(C)C ZINC000453213988 331102240 /nfs/dbraw/zinc/10/22/40/331102240.db2.gz HNIMAFACLFXKMC-WDEREUQCSA-N 0 1 277.334 3.531 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccnc(OC(F)F)c2)cs1 ZINC000453215817 331102411 /nfs/dbraw/zinc/10/24/11/331102411.db2.gz SHYXIPYULBGEOR-SNVBAGLBSA-N 0 1 298.358 3.904 20 0 CHADMN Cc1cc([C@H](C)NC[C@@H]2CSc3ccccc32)no1 ZINC000453215158 331102416 /nfs/dbraw/zinc/10/24/16/331102416.db2.gz FQLCYXHGEBSPFQ-NWDGAFQWSA-N 0 1 274.389 3.523 20 0 CHADMN COCCCC[C@@H](N[C@H](C)c1ccncn1)c1ccccc1 ZINC000453223415 331103364 /nfs/dbraw/zinc/10/33/64/331103364.db2.gz RFOATYIAQCKRKE-CRAIPNDOSA-N 0 1 299.418 3.685 20 0 CHADMN CCc1noc(C)c1CN[C@H](C)c1csc(C)c1 ZINC000453245888 331106878 /nfs/dbraw/zinc/10/68/78/331106878.db2.gz UXLMBLFXKLEMPV-SNVBAGLBSA-N 0 1 264.394 3.766 20 0 CHADMN Cc1ccc2cc([C@H](C)NCc3n[nH]c(C(C)C)n3)oc2c1 ZINC000453289676 331111696 /nfs/dbraw/zinc/11/16/96/331111696.db2.gz MIOCAYXDFJDMFY-LBPRGKRZSA-N 0 1 298.390 3.834 20 0 CHADMN COc1ccc(Cl)cc1[C@@H](C)NCc1ccnc(C)c1 ZINC000453295860 331112455 /nfs/dbraw/zinc/11/24/55/331112455.db2.gz SGUWGGZALOATJJ-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CCc1ccc([C@H](C)NCc2cnc(C3CC3)o2)cc1 ZINC000453335476 331118259 /nfs/dbraw/zinc/11/82/59/331118259.db2.gz AEOGCCBLIQUDKV-LBPRGKRZSA-N 0 1 270.376 3.965 20 0 CHADMN CCCc1ncc(CN[C@@H](CC)c2cccc(OC)c2)o1 ZINC000453350595 331120764 /nfs/dbraw/zinc/12/07/64/331120764.db2.gz BTASEISVMQFJEG-INIZCTEOSA-N 0 1 288.391 3.877 20 0 CHADMN Cc1cc([C@H](C)NC2(Cc3ccc(F)cc3)CC2)no1 ZINC000453351993 331120834 /nfs/dbraw/zinc/12/08/34/331120834.db2.gz NCIXHHJIOVJYQA-LBPRGKRZSA-N 0 1 274.339 3.548 20 0 CHADMN Cc1ccsc1[C@H](C)NCc1cnc(C2CC2)o1 ZINC000453354329 331121227 /nfs/dbraw/zinc/12/12/27/331121227.db2.gz LLULWDKNPMONFI-JTQLQIEISA-N 0 1 262.378 3.773 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cnc(C3CC3)o2)c2ccccc21 ZINC000453357706 331121876 /nfs/dbraw/zinc/12/18/76/331121876.db2.gz NNFGZVVXMBYNAU-BDJLRTHQSA-N 0 1 268.360 3.890 20 0 CHADMN COc1cccnc1CN[C@H]1CC[C@H](C)c2ccsc21 ZINC000453357155 331121903 /nfs/dbraw/zinc/12/19/03/331121903.db2.gz IGVUCTFOPIHBSX-AAEUAGOBSA-N 0 1 288.416 3.880 20 0 CHADMN CC(C)[C@@H]1C[C@H]1CN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000453362417 331122645 /nfs/dbraw/zinc/12/26/45/331122645.db2.gz REPPTMHIMTZIFL-BPUTZDHNSA-N 0 1 287.382 3.520 20 0 CHADMN CCc1ncc(CN[C@H]2c3cccc(F)c3CC[C@@H]2C)o1 ZINC000453368611 331123579 /nfs/dbraw/zinc/12/35/79/331123579.db2.gz HOCUYXXLPYFRLM-APPDUMDISA-N 0 1 288.366 3.789 20 0 CHADMN CCc1ncc(CN[C@H]2C[C@@H](C)c3ccccc32)o1 ZINC000453368717 331123723 /nfs/dbraw/zinc/12/37/23/331123723.db2.gz HTDPVNVVNPIJBV-ABAIWWIYSA-N 0 1 256.349 3.575 20 0 CHADMN CCC[C@@H](NCc1ncccc1OC)c1ccccc1 ZINC000453382589 331126056 /nfs/dbraw/zinc/12/60/56/331126056.db2.gz ZFHRETDNONWCBK-OAHLLOKOSA-N 0 1 270.376 3.721 20 0 CHADMN CCc1ncc(CN[C@@H](CC)c2ccc(C)cc2)o1 ZINC000453386971 331126719 /nfs/dbraw/zinc/12/67/19/331126719.db2.gz VTAFSRGAJDUNMK-HNNXBMFYSA-N 0 1 258.365 3.786 20 0 CHADMN C[N@@H+](CCCCCO)Cc1cccc(Cl)c1Cl ZINC000195051635 331133777 /nfs/dbraw/zinc/13/37/77/331133777.db2.gz PQDWLIFUUPDZSF-UHFFFAOYSA-N 0 1 276.207 3.588 20 0 CHADMN CN(CCCCCO)Cc1cccc(Cl)c1Cl ZINC000195051635 331133778 /nfs/dbraw/zinc/13/37/78/331133778.db2.gz PQDWLIFUUPDZSF-UHFFFAOYSA-N 0 1 276.207 3.588 20 0 CHADMN CSC1(CNc2ccc3cnccc3c2)CCC1 ZINC000453610376 331136331 /nfs/dbraw/zinc/13/63/31/331136331.db2.gz GZCXVBUKDYVEQY-UHFFFAOYSA-N 0 1 258.390 3.932 20 0 CHADMN Cc1nn(C)cc1CN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000453617241 331136741 /nfs/dbraw/zinc/13/67/41/331136741.db2.gz RDFQXVUJYKRTJM-SFHVURJKSA-N 0 1 295.430 3.846 20 0 CHADMN CC[C@@H]1C[C@H](CNc2ccc3cnccc3c2)CCO1 ZINC000453622331 331136922 /nfs/dbraw/zinc/13/69/22/331136922.db2.gz VJTZUBSGVOTPBH-CXAGYDPISA-N 0 1 270.376 3.852 20 0 CHADMN CC1(C)Cc2ccsc2CN1Cc1cnc2ccccn12 ZINC000453627337 331137211 /nfs/dbraw/zinc/13/72/11/331137211.db2.gz VBAAYJIOGPDTGG-UHFFFAOYSA-N 0 1 297.427 3.733 20 0 CHADMN C[C@H]1CC[C@H](CNCc2csc(Cl)c2Cl)O1 ZINC000453633262 331137272 /nfs/dbraw/zinc/13/72/72/331137272.db2.gz RHAPARVGGZOXCF-IONNQARKSA-N 0 1 280.220 3.712 20 0 CHADMN C[C@H]1CC[C@@H](CNCc2ccc(Oc3ccccc3)o2)O1 ZINC000453638194 331137474 /nfs/dbraw/zinc/13/74/74/331137474.db2.gz ZRTWUWPHUCISBA-ZFWWWQNUSA-N 0 1 287.359 3.729 20 0 CHADMN CC(C)[C@@H]1N(C(=O)c2cccc3[nH]cnc32)CC12CCCC2 ZINC000457178605 331213866 /nfs/dbraw/zinc/21/38/66/331213866.db2.gz VHMHULZYGBYMQB-INIZCTEOSA-N 0 1 297.402 3.604 20 0 CHADMN C[C@@H](C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C1CCC1 ZINC000457681597 331231068 /nfs/dbraw/zinc/23/10/68/331231068.db2.gz WNUUJUFHNRILSW-MRVPVSSYSA-N 0 1 293.317 3.875 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H](CC)CC(F)F)c1 ZINC000457834380 331236029 /nfs/dbraw/zinc/23/60/29/331236029.db2.gz UEYNLJWXFOCSCN-VIFPVBQESA-N 0 1 299.317 3.605 20 0 CHADMN C[C@@H](N[C@@H](C)Cc1cccc(C(F)(F)F)c1)c1ccon1 ZINC000467393398 331236910 /nfs/dbraw/zinc/23/69/10/331236910.db2.gz ZYHOOPIEOFMEMC-WDEREUQCSA-N 0 1 298.308 3.975 20 0 CHADMN CCCN(Cc1cnnn1CC)[C@@H](CC)c1ccccc1 ZINC000459328907 331276355 /nfs/dbraw/zinc/27/63/55/331276355.db2.gz PKWIAZDTHFPSSP-KRWDZBQOSA-N 0 1 286.423 3.661 20 0 CHADMN Cc1cc(F)c(CN(C)C[C@@H]2CCCOC2)c(Cl)c1 ZINC000459337593 331276816 /nfs/dbraw/zinc/27/68/16/331276816.db2.gz RCEPLCIHWSLKKS-LBPRGKRZSA-N 0 1 285.790 3.646 20 0 CHADMN C[C@@H](N(C)Cc1cccc(O)c1Br)C1(C)CC1 ZINC000459343297 331277101 /nfs/dbraw/zinc/27/71/01/331277101.db2.gz HATBNMGBNVUDSG-SNVBAGLBSA-N 0 1 298.224 3.775 20 0 CHADMN C[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)[C@H](c2ccco2)C1 ZINC000459350520 331277470 /nfs/dbraw/zinc/27/74/70/331277470.db2.gz FTWKKBDTVQQEHR-JSGCOSHPSA-N 0 1 293.798 3.603 20 0 CHADMN C[C@H]1CCN(CCn2cc(Cl)cn2)[C@H](c2ccco2)C1 ZINC000459350520 331277471 /nfs/dbraw/zinc/27/74/71/331277471.db2.gz FTWKKBDTVQQEHR-JSGCOSHPSA-N 0 1 293.798 3.603 20 0 CHADMN CC(C)OC1CC([N@H+]2CCC[C@@H](Nc3ccccc3)C2)C1 ZINC000459365823 331278380 /nfs/dbraw/zinc/27/83/80/331278380.db2.gz MLFQARCNYDOZIG-WWDZGPRUSA-N 0 1 288.435 3.519 20 0 CHADMN Cc1cc(CNCCc2csc3ccccc23)no1 ZINC000459386141 331279579 /nfs/dbraw/zinc/27/95/79/331279579.db2.gz LAJKXIYHUNQFNR-UHFFFAOYSA-N 0 1 272.373 3.530 20 0 CHADMN COCc1cc(CN[C@H](C)CCC2CCCCC2)no1 ZINC000459408169 331280312 /nfs/dbraw/zinc/28/03/12/331280312.db2.gz INYUEVYCPMPSAH-CYBMUJFWSA-N 0 1 280.412 3.660 20 0 CHADMN CC[C@H](NCCOCC1CCCC1)c1nc(C)cs1 ZINC000459412349 331280368 /nfs/dbraw/zinc/28/03/68/331280368.db2.gz VKDSVRRRLMKPRU-AWEZNQCLSA-N 0 1 282.453 3.699 20 0 CHADMN CC(C)c1cccc(CNCc2cnc(C3CC3)nc2)c1 ZINC000459544118 331286885 /nfs/dbraw/zinc/28/68/85/331286885.db2.gz ZQAMIKOZAWQSGY-UHFFFAOYSA-N 0 1 281.403 3.767 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN1CC2(C1)CCCC2 ZINC000459560269 331287717 /nfs/dbraw/zinc/28/77/17/331287717.db2.gz LQHHIDQWQJLWTO-UHFFFAOYSA-N 0 1 275.440 3.631 20 0 CHADMN Cc1c2cccc(Cl)c2sc1CN1CC(CCO)C1 ZINC000459587386 331289495 /nfs/dbraw/zinc/28/94/95/331289495.db2.gz DWWKUAVCMOQALL-UHFFFAOYSA-N 0 1 295.835 3.677 20 0 CHADMN CCC1(CC)CN(Cc2conc2Cc2ccccc2)C1 ZINC000459591658 331289746 /nfs/dbraw/zinc/28/97/46/331289746.db2.gz GPOXMPFOWBNFRO-UHFFFAOYSA-N 0 1 284.403 3.887 20 0 CHADMN CCC1(CC)CN(Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000459594757 331289845 /nfs/dbraw/zinc/28/98/45/331289845.db2.gz LRZXTJHFMPODPV-UHFFFAOYSA-N 0 1 277.456 3.877 20 0 CHADMN CCC1(CC)CN(Cc2cnc(-c3ccncc3)s2)C1 ZINC000459600813 331290144 /nfs/dbraw/zinc/29/01/44/331290144.db2.gz VOBZDXYELVWTSW-UHFFFAOYSA-N 0 1 287.432 3.827 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN1CC(c2nc(C)no2)C1 ZINC000459613139 331290625 /nfs/dbraw/zinc/29/06/25/331290625.db2.gz VOYMJKUMAXWBDX-CYBMUJFWSA-N 0 1 277.412 3.550 20 0 CHADMN Cc1ccoc1CN1CC(Cc2ccc(F)c(F)c2)C1 ZINC000459621577 331290918 /nfs/dbraw/zinc/29/09/18/331290918.db2.gz BTNWJAJDADBFKS-UHFFFAOYSA-N 0 1 277.314 3.541 20 0 CHADMN CCCCOc1ccccc1CN1CC(C)(CCOC)C1 ZINC000459627809 331291004 /nfs/dbraw/zinc/29/10/04/331291004.db2.gz CDPRLOCFWQNDKC-UHFFFAOYSA-N 0 1 291.435 3.724 20 0 CHADMN Cn1cncc1CN1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459699989 331294987 /nfs/dbraw/zinc/29/49/87/331294987.db2.gz CYWFYPAHFFSNQZ-SFHVURJKSA-N 0 1 295.430 3.928 20 0 CHADMN CCC(CC)n1ccc(CN(C)C2CC(C)(C)C2)n1 ZINC000459741665 331297443 /nfs/dbraw/zinc/29/74/43/331297443.db2.gz NCRZNHGIUKOASJ-UHFFFAOYSA-N 0 1 263.429 3.865 20 0 CHADMN CN(Cc1cc(-c2ccco2)on1)C1CC(C)(C)C1 ZINC000459744429 331297658 /nfs/dbraw/zinc/29/76/58/331297658.db2.gz RDIFUIZKBVPZBN-UHFFFAOYSA-N 0 1 260.337 3.555 20 0 CHADMN CC[C@@H]1OCC[C@H]1NCc1ccc(Oc2ccccc2)o1 ZINC000459750380 331298286 /nfs/dbraw/zinc/29/82/86/331298286.db2.gz ZVJBRHCCBYIPGB-CVEARBPZSA-N 0 1 287.359 3.729 20 0 CHADMN CCn1nc(C)c(CN2CC(CC)(c3ccccc3)C2)c1C ZINC000459762416 331299082 /nfs/dbraw/zinc/29/90/82/331299082.db2.gz RQXTUPGMSNPKAW-UHFFFAOYSA-N 0 1 297.446 3.683 20 0 CHADMN Cc1cnc(CN(C)[C@@H](C)Cc2cccc(F)c2)s1 ZINC000459776364 331300409 /nfs/dbraw/zinc/30/04/09/331300409.db2.gz WKTJPRMJEOKOJX-NSHDSACASA-N 0 1 278.396 3.654 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@@H]2N[C@@H](C)c1ccn(C)n1 ZINC000459785801 331300967 /nfs/dbraw/zinc/30/09/67/331300967.db2.gz KIQMXLMRRKJUDL-YOEHRIQHSA-N 0 1 283.419 3.765 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1nc(C(C)C)no1)C1CCC1 ZINC000459789253 331301097 /nfs/dbraw/zinc/30/10/97/331301097.db2.gz FYRWGSOZOFEXDU-WCQYABFASA-N 0 1 265.401 3.812 20 0 CHADMN CC(C)[C@@H](O)CN[C@@H](C)c1cc(Cl)sc1Cl ZINC000167775146 331308383 /nfs/dbraw/zinc/30/83/83/331308383.db2.gz PUGNOTCSPVTRRD-CBAPKCEASA-N 0 1 282.236 3.722 20 0 CHADMN COc1ccc(F)cc1CNc1cc2c(cn1)CCCC2 ZINC000461212124 331311882 /nfs/dbraw/zinc/31/18/82/331311882.db2.gz PHOJCWLCZQRWIB-UHFFFAOYSA-N 0 1 286.350 3.720 20 0 CHADMN C[C@@H]1CCN(Cc2cscn2)CC12CCCCC2 ZINC000462465369 331322355 /nfs/dbraw/zinc/32/23/55/331322355.db2.gz SEATVHMNJVQBHK-CYBMUJFWSA-N 0 1 264.438 3.935 20 0 CHADMN CC(C)c1noc(CN2CC[C@@H](C)C3(CCCCC3)C2)n1 ZINC000462474288 331322445 /nfs/dbraw/zinc/32/24/45/331322445.db2.gz MFFGNDUZIAJHPO-CQSZACIVSA-N 0 1 291.439 3.985 20 0 CHADMN CCCc1noc(CN2CC[C@@H](C)C3(CCCCC3)C2)n1 ZINC000462479495 331322630 /nfs/dbraw/zinc/32/26/30/331322630.db2.gz XVZREEJQZQZPCY-CQSZACIVSA-N 0 1 291.439 3.814 20 0 CHADMN CCN1CCCC[C@@H]1C(=O)Nc1cccc(C2CCC2)c1 ZINC000462724991 331325587 /nfs/dbraw/zinc/32/55/87/331325587.db2.gz LDYDTOFQXJDHLN-QGZVFWFLSA-N 0 1 286.419 3.767 20 0 CHADMN Cc1ccccc1O[C@H](C)CNCc1c(F)cccc1F ZINC000462736319 331326411 /nfs/dbraw/zinc/32/64/11/331326411.db2.gz GJLDARCFPMEOJK-CYBMUJFWSA-N 0 1 291.341 3.830 20 0 CHADMN Cc1cc(CN2CC(c3ccccc3F)C2)cc(C)c1O ZINC000463029734 331337689 /nfs/dbraw/zinc/33/76/89/331337689.db2.gz SRQBAAFSVVGRDW-UHFFFAOYSA-N 0 1 285.362 3.748 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2cncc(C(F)(F)F)c2)C1 ZINC000463196673 331341973 /nfs/dbraw/zinc/34/19/73/331341973.db2.gz FLLDPVCHKRJIRJ-CYBMUJFWSA-N 0 1 286.341 3.968 20 0 CHADMN C(CC1CCCC1)c1nnc(SCC2CCC2)[nH]1 ZINC000463249584 331344327 /nfs/dbraw/zinc/34/43/27/331344327.db2.gz FOBRYKAKPGOGAB-UHFFFAOYSA-N 0 1 265.426 3.820 20 0 CHADMN C(CC1CCCC1)c1n[nH]c(SCC2CCC2)n1 ZINC000463249584 331344328 /nfs/dbraw/zinc/34/43/28/331344328.db2.gz FOBRYKAKPGOGAB-UHFFFAOYSA-N 0 1 265.426 3.820 20 0 CHADMN CC[C@]1(C)CCCN(Cc2cccc(F)c2F)C1 ZINC000464768464 331366904 /nfs/dbraw/zinc/36/69/04/331366904.db2.gz ARZQKVGOENVWCC-OAHLLOKOSA-N 0 1 253.336 3.977 20 0 CHADMN CCc1ccccc1NC(=O)CN1CCC[C@](C)(CC)C1 ZINC000464779132 331367592 /nfs/dbraw/zinc/36/75/92/331367592.db2.gz PKOJYLXPFPJAQQ-SFHVURJKSA-N 0 1 288.435 3.700 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N1CCC(C)(C)C1 ZINC000464798798 331369014 /nfs/dbraw/zinc/36/90/14/331369014.db2.gz LGZVAHOJMYRFIZ-GFCCVEGCSA-N 0 1 294.826 3.707 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1C[C@@H](C)CC[C@H]1C ZINC000464820766 331369517 /nfs/dbraw/zinc/36/95/17/331369517.db2.gz GAOZPQITPTVMQW-WCQYABFASA-N 0 1 294.826 3.707 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1C[C@@H](C)CC[C@@H]1C ZINC000464820764 331369645 /nfs/dbraw/zinc/36/96/45/331369645.db2.gz GAOZPQITPTVMQW-AAEUAGOBSA-N 0 1 294.826 3.707 20 0 CHADMN CCCCc1nc(CN2C[C@H](C)[C@@H](C)C2)cs1 ZINC000464830565 331370080 /nfs/dbraw/zinc/37/00/80/331370080.db2.gz IRKWGWXBLXTHJC-RYUDHWBXSA-N 0 1 252.427 3.574 20 0 CHADMN c1sc(Nc2ccccc2)nc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000464892276 331372979 /nfs/dbraw/zinc/37/29/79/331372979.db2.gz KGZVBMHHHZNWPP-ZIAGYGMSSA-N 0 1 299.443 3.541 20 0 CHADMN CO[C@]1(C)C[C@@H](N[C@@H](C)c2c(F)cccc2F)C1(C)C ZINC000465414342 331382905 /nfs/dbraw/zinc/38/29/05/331382905.db2.gz SRSLGPQQQFDVFO-OWRWGESLSA-N 0 1 283.362 3.819 20 0 CHADMN CC/C=C\CCN1[C@H](C)COC[C@H]1c1ccccc1 ZINC000466237242 331391358 /nfs/dbraw/zinc/39/13/58/331391358.db2.gz QDQDTEAWJKPCHB-BUZJKLBMSA-N 0 1 259.393 3.805 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000466321398 331392790 /nfs/dbraw/zinc/39/27/90/331392790.db2.gz WKGQZMGYKVAKEN-OAHLLOKOSA-N 0 1 297.402 3.510 20 0 CHADMN CCC[C@@H]1CCCN(Cc2nc(-c3cccs3)no2)C1 ZINC000466467220 331397824 /nfs/dbraw/zinc/39/78/24/331397824.db2.gz UCOVRPQXAUGWDB-GFCCVEGCSA-N 0 1 291.420 3.810 20 0 CHADMN CCC[C@H]1CCCN(Cc2ncc(C(C)(C)C)o2)C1 ZINC000466484284 331398222 /nfs/dbraw/zinc/39/82/22/331398222.db2.gz ZNGQHXOUEGBZNL-ZDUSSCGKSA-N 0 1 264.413 3.984 20 0 CHADMN Cc1cc(NC[C@@H](O)C2CC2)c2cc(Cl)cc(C)c2n1 ZINC000467018711 331410567 /nfs/dbraw/zinc/41/05/67/331410567.db2.gz NVIVFDVSEWKHJW-OAHLLOKOSA-N 0 1 290.794 3.688 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccc(SC)cc1)c1ccn(C)n1 ZINC000467445958 331419716 /nfs/dbraw/zinc/41/97/16/331419716.db2.gz UMSWUQTZMDWNPD-IUODEOHRSA-N 0 1 289.448 3.944 20 0 CHADMN CC[C@H](C)[C@H](C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474431041 331586604 /nfs/dbraw/zinc/58/66/04/331586604.db2.gz CKPQLRFJZSXGLU-YUMQZZPRSA-N 0 1 273.735 3.805 20 0 CHADMN CC[C@H]1CCCC[C@H]1C(=O)Nc1cc(C(C)=O)ccc1O ZINC000476587378 331666867 /nfs/dbraw/zinc/66/68/67/331666867.db2.gz IFZAQRFQPPSKAZ-GXTWGEPZSA-N 0 1 289.375 3.750 20 0 CHADMN COc1cccc(CN[C@H]2CCc3ccc(C(C)C)cc32)n1 ZINC000480281907 331766246 /nfs/dbraw/zinc/76/62/46/331766246.db2.gz IWGWGVGAAXVSPT-SFHVURJKSA-N 0 1 296.414 3.991 20 0 CHADMN Cc1ccc([C@H](C)C[NH2+]Cc2c(F)ccc([O-])c2F)cc1 ZINC000511208561 332929691 /nfs/dbraw/zinc/92/96/91/332929691.db2.gz YHIMRWFHLLOLGG-GFCCVEGCSA-N 0 1 291.341 3.872 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN[C@@H](C)c1nc(C)no1 ZINC000482457109 331833647 /nfs/dbraw/zinc/83/36/47/331833647.db2.gz JJKMHCAWDSBEBY-OLZOCXBDSA-N 0 1 265.401 3.801 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2CC[C@H](C)[C@@H](C)C2)no1 ZINC000483306316 331868360 /nfs/dbraw/zinc/86/83/60/331868360.db2.gz HLUBEBFNMPWNDD-AEGPPILISA-N 0 1 299.418 3.959 20 0 CHADMN Cc1ccc(CNC[C@@H](c2ccccc2)C(F)(F)F)nc1 ZINC000485724383 331922614 /nfs/dbraw/zinc/92/26/14/331922614.db2.gz KGAVDDKVJHQTPR-HNNXBMFYSA-N 0 1 294.320 3.826 20 0 CHADMN CC(C)[C@@H]1OCC[C@@H]1CNc1ccnc2cc(F)ccc21 ZINC000487628309 331977524 /nfs/dbraw/zinc/97/75/24/331977524.db2.gz YUZHYOYMAMVLJS-PXAZEXFGSA-N 0 1 288.366 3.847 20 0 CHADMN CCc1cnc(CN[C@H]2CS[C@H](C(C)(C)C)C2)s1 ZINC000488412322 332003405 /nfs/dbraw/zinc/00/34/05/332003405.db2.gz BEFDNIHAUZRBFY-PWSUYJOCSA-N 0 1 284.494 3.715 20 0 CHADMN Cc1cnc([C@H](C)N[C@H]2CS[C@H](C(C)C)C2)s1 ZINC000488424352 332006643 /nfs/dbraw/zinc/00/66/43/332006643.db2.gz RNDRUIBAPMXRFI-TUAOUCFPSA-N 0 1 270.467 3.632 20 0 CHADMN CC(C)C1CC(NCc2ncc(-c3ccccc3)cn2)C1 ZINC000488500708 332014129 /nfs/dbraw/zinc/01/41/29/332014129.db2.gz FZMYCFBSDKTMNP-UHFFFAOYSA-N 0 1 281.403 3.668 20 0 CHADMN C[N@@H+](CC(=O)Nc1ccc(F)c(Cl)c1)C1(C)CCCC1 ZINC000489835388 332069471 /nfs/dbraw/zinc/06/94/71/332069471.db2.gz AMZIMNADFSHSDE-UHFFFAOYSA-N 0 1 298.789 3.682 20 0 CHADMN CN(Cc1nccn1Cc1ccccc1)C1(C)CCCC1 ZINC000489865073 332070801 /nfs/dbraw/zinc/07/08/01/332070801.db2.gz WSZBHQVVQQNGDF-UHFFFAOYSA-N 0 1 283.419 3.696 20 0 CHADMN CO[C@@H](C)c1nc(CN(C)C2(C)CCCC2)cs1 ZINC000489864749 332070899 /nfs/dbraw/zinc/07/08/99/332070899.db2.gz WAWNXWZSSCFIFC-NSHDSACASA-N 0 1 268.426 3.615 20 0 CHADMN C[C@@H](C(=O)Nc1ccc(Cl)c(F)c1)N1CCCCCC1 ZINC000303610568 332942316 /nfs/dbraw/zinc/94/23/16/332942316.db2.gz YWCIXOWPXQPDIR-NSHDSACASA-N 0 1 298.789 3.682 20 0 CHADMN CCC[C@H](C(=O)N1CCN(C)CC12CCCCC2)C(C)C ZINC000489983558 332075703 /nfs/dbraw/zinc/07/57/03/332075703.db2.gz RCQKCRDGZLFWNM-INIZCTEOSA-N 0 1 294.483 3.536 20 0 CHADMN COc1ccccc1CN(C)Cc1cc(F)ccc1C ZINC000491138983 332155014 /nfs/dbraw/zinc/15/50/14/332155014.db2.gz IGOJJBWMLKPWFR-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN C[C@H](c1c(F)cccc1F)N(C)C[C@@H]1CCO[C@H](C)C1 ZINC000491238203 332171822 /nfs/dbraw/zinc/17/18/22/332171822.db2.gz GNDRDZPQYKGREF-JHJVBQTASA-N 0 1 283.362 3.773 20 0 CHADMN Cc1ccc(C)c([C@@H](NCCO)c2ccccc2Cl)c1 ZINC000491368811 332198188 /nfs/dbraw/zinc/19/81/88/332198188.db2.gz RIXWDVAGTLRWQC-KRWDZBQOSA-N 0 1 289.806 3.628 20 0 CHADMN Cc1ccoc1CNCc1c[nH]nc1-c1cccc(C)c1 ZINC000491397174 332204713 /nfs/dbraw/zinc/20/47/13/332204713.db2.gz BELLNQPPOBGXPC-UHFFFAOYSA-N 0 1 281.359 3.576 20 0 CHADMN COc1cccc([C@H](C)N2CCc3ccc(OC)cc3C2)c1 ZINC000491433379 332210772 /nfs/dbraw/zinc/21/07/72/332210772.db2.gz PXCCWEARBNWUFW-AWEZNQCLSA-N 0 1 297.398 3.823 20 0 CHADMN Cc1ccoc1CNCc1cc(C)c2ncccc2c1 ZINC000491483546 332219458 /nfs/dbraw/zinc/21/94/58/332219458.db2.gz HLOWJMBFMXEPBW-UHFFFAOYSA-N 0 1 266.344 3.734 20 0 CHADMN Cc1ccoc1CNC/C=C\c1ccc(F)c(F)c1 ZINC000491487676 332221363 /nfs/dbraw/zinc/22/13/63/332221363.db2.gz SNUJSMVCGWMENM-IHWYPQMZSA-N 0 1 263.287 3.669 20 0 CHADMN CCCc1nc(C)c(CNC/C=C\c2ccc(F)cc2)o1 ZINC000492067792 332381363 /nfs/dbraw/zinc/38/13/63/332381363.db2.gz YGYZYEAZVZTXOY-XQRVVYSFSA-N 0 1 288.366 3.878 20 0 CHADMN CC(C)[C@H](NC(=O)/C=C/C1CCC1)c1nc2ccccc2[nH]1 ZINC000492090497 332382418 /nfs/dbraw/zinc/38/24/18/332382418.db2.gz BKKNYQMQEQFJJM-DVQDXYAYSA-N 0 1 297.402 3.733 20 0 CHADMN Cc1ccc(CNC(C)(C)c2ccccc2F)cn1 ZINC000492309224 332391890 /nfs/dbraw/zinc/39/18/90/332391890.db2.gz CYKPBCPYHRAORV-UHFFFAOYSA-N 0 1 258.340 3.554 20 0 CHADMN CO[C@@H]1CCCN(Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000492402793 332395800 /nfs/dbraw/zinc/39/58/00/332395800.db2.gz YQTGNXDVIFZLAF-CQSZACIVSA-N 0 1 297.826 3.738 20 0 CHADMN CCCc1csc(CNCCSCC(C)C)n1 ZINC000494176019 332465554 /nfs/dbraw/zinc/46/55/54/332465554.db2.gz MPTQTQLJEDMIRQ-UHFFFAOYSA-N 0 1 272.483 3.574 20 0 CHADMN COc1ccccc1CNCc1ccc2nc(C)sc2c1 ZINC000494323191 332470254 /nfs/dbraw/zinc/47/02/54/332470254.db2.gz PQWWUSMWXSSDEX-UHFFFAOYSA-N 0 1 298.411 3.903 20 0 CHADMN Cc1cscc1CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000494476550 332474941 /nfs/dbraw/zinc/47/49/41/332474941.db2.gz VQZJHSAWAHFPIB-LBPRGKRZSA-N 0 1 263.410 3.685 20 0 CHADMN COC[C@H](N[C@@H](C)CC(F)(F)F)c1ccc(Cl)cc1 ZINC000494500692 332476295 /nfs/dbraw/zinc/47/62/95/332476295.db2.gz FMQYYVXMSUTCIK-CABZTGNLSA-N 0 1 295.732 3.958 20 0 CHADMN C[C@@H]1C[C@H](N[C@H](CO)c2c(Cl)cccc2Cl)[C@@H]1C ZINC000494993227 332498787 /nfs/dbraw/zinc/49/87/87/332498787.db2.gz GHFXSMGIUHIEPO-MNUQUWEESA-N 0 1 288.218 3.661 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cc3cc(F)ccc3o2)n1 ZINC000575747960 335111555 /nfs/dbraw/zinc/11/15/55/335111555.db2.gz DJIHSEYVCNZQNC-LLVKDONJSA-N 0 1 289.310 3.668 20 0 CHADMN CCOc1cc(CN2CCCCC2)cc(Cl)c1OC ZINC000092106815 334396110 /nfs/dbraw/zinc/39/61/10/334396110.db2.gz RJIUAWKLUWRFDK-UHFFFAOYSA-N 0 1 283.799 3.733 20 0 CHADMN CC(C)n1cc([C@H](C)NCc2cccc(Cl)c2)cn1 ZINC000554416989 334429522 /nfs/dbraw/zinc/42/95/22/334429522.db2.gz SBAZFXPAXLROOC-LBPRGKRZSA-N 0 1 277.799 3.968 20 0 CHADMN C[C@H]1C[C@]1(NCc1cncs1)c1ccc(Cl)cc1 ZINC000500398208 332606727 /nfs/dbraw/zinc/60/67/27/332606727.db2.gz CTKHHIRRKMITIB-IINYFYTJSA-N 0 1 278.808 3.821 20 0 CHADMN CC[C@@H]1CCC[C@@H](N[C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000248823052 334318578 /nfs/dbraw/zinc/31/85/78/334318578.db2.gz GBTKQNHQTAKCEI-JHJVBQTASA-N 0 1 279.428 3.987 20 0 CHADMN COCC[C@@H](NC/C=C\c1ccc(F)cc1)c1ccco1 ZINC000503904529 332698651 /nfs/dbraw/zinc/69/86/51/332698651.db2.gz WWEBRLWTXLDVNW-ZENLRNHISA-N 0 1 289.350 3.799 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1N[C@H]1CCO[C@H]1C ZINC000512874691 332991316 /nfs/dbraw/zinc/99/13/16/332991316.db2.gz RPHZFURWFNZJND-YJBOKZPZSA-N 0 1 288.435 3.965 20 0 CHADMN C[C@@H](O)[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000513285834 333012302 /nfs/dbraw/zinc/01/23/02/333012302.db2.gz DUHUJEIWZLKESF-QMTHXVAHSA-N 0 1 288.218 3.729 20 0 CHADMN C[C@@H](O)[C@H]1CCCCN1Cc1cc(Cl)ccc1Cl ZINC000513292490 333012658 /nfs/dbraw/zinc/01/26/58/333012658.db2.gz SKTQHMMWDVZKJH-QMTHXVAHSA-N 0 1 288.218 3.729 20 0 CHADMN CCc1ccc([C@H]2CCCN(Cc3ncc(C)cn3)C2)cc1 ZINC000513392085 333017175 /nfs/dbraw/zinc/01/71/75/333017175.db2.gz KSLOFASUGWBHRI-SFHVURJKSA-N 0 1 295.430 3.727 20 0 CHADMN CCc1ccc([C@@H]2CCC[N@@H+](Cc3ccnc(C)n3)C2)cc1 ZINC000513418729 333018331 /nfs/dbraw/zinc/01/83/31/333018331.db2.gz CXLXHFNRDMWPKA-GOSISDBHSA-N 0 1 295.430 3.727 20 0 CHADMN Cc1cccc2nc(CCC(=O)NCCC3CCCC3)[nH]c21 ZINC000175344889 333022314 /nfs/dbraw/zinc/02/23/14/333022314.db2.gz PPEKCCJFADAURD-UHFFFAOYSA-N 0 1 299.418 3.500 20 0 CHADMN COc1ccccc1CC[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000513496473 333023019 /nfs/dbraw/zinc/02/30/19/333023019.db2.gz FLZFXBYPYVJURY-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN Cc1ccc2ncc(CN3CCc4ccccc4[C@@H]3C)n2c1 ZINC000513703308 333033910 /nfs/dbraw/zinc/03/39/10/333033910.db2.gz TWDJWRDFRSCGEB-HNNXBMFYSA-N 0 1 291.398 3.762 20 0 CHADMN CCN(CC)c1ncc(-c2nc3ccc(F)cc3[nH]2)s1 ZINC000513869013 333044918 /nfs/dbraw/zinc/04/49/18/333044918.db2.gz FHUDMNJLIWHLHE-UHFFFAOYSA-N 0 1 290.367 3.672 20 0 CHADMN CO[C@H](CN(C)CCC(F)(F)F)c1ccc(Cl)cc1 ZINC000513901811 333049109 /nfs/dbraw/zinc/04/91/09/333049109.db2.gz AWFAJAYVTNPLCY-GFCCVEGCSA-N 0 1 295.732 3.912 20 0 CHADMN CC[C@@H](CN[C@H](C)c1c(F)cccc1Cl)OC ZINC000310466391 333058781 /nfs/dbraw/zinc/05/87/81/333058781.db2.gz GXRCOIAYZQDCPG-ZJUUUORDSA-N 0 1 259.752 3.555 20 0 CHADMN CC(C)CCC1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000177622259 333060992 /nfs/dbraw/zinc/06/09/92/333060992.db2.gz XKAXJURKHKCUNA-UHFFFAOYSA-N 0 1 289.423 3.576 20 0 CHADMN CN(Cc1csc(C2CCCCC2)n1)C[C@H]1CCOC1 ZINC000178360080 333071519 /nfs/dbraw/zinc/07/15/19/333071519.db2.gz HIXYSAFPJSXVSR-CYBMUJFWSA-N 0 1 294.464 3.659 20 0 CHADMN CN(Cc1csc(C2CCCCC2)n1)C[C@@H]1CCOC1 ZINC000178360063 333071528 /nfs/dbraw/zinc/07/15/28/333071528.db2.gz HIXYSAFPJSXVSR-ZDUSSCGKSA-N 0 1 294.464 3.659 20 0 CHADMN CC(C)CCC[N@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000517042058 333090665 /nfs/dbraw/zinc/09/06/65/333090665.db2.gz KKXUQVYKEVDFJY-HZPDHXFCSA-N 0 1 281.440 3.778 20 0 CHADMN CCOCCN([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000517121486 333092881 /nfs/dbraw/zinc/09/28/81/333092881.db2.gz GFMPDIZEKSIFGQ-LBPRGKRZSA-N 0 1 267.800 3.902 20 0 CHADMN Cc1nc(-c2ccc(CNCc3cccnc3)cc2)cs1 ZINC000517550910 333102233 /nfs/dbraw/zinc/10/22/33/333102233.db2.gz TZRQKWRNKJVKAR-UHFFFAOYSA-N 0 1 295.411 3.803 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H](C)[C@@H]2CC2(C)C)no1 ZINC000517655453 333105321 /nfs/dbraw/zinc/10/53/21/333105321.db2.gz QTFOCQRYTMVYGM-JSGCOSHPSA-N 0 1 285.391 3.569 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1CCCOc1cccc(Cl)c1 ZINC000520845077 333105431 /nfs/dbraw/zinc/10/54/31/333105431.db2.gz BBKQVVYXTZPXSK-DZGCQCFKSA-N 0 1 297.826 3.608 20 0 CHADMN CCN(Cc1cn2cc(C)ccc2n1)Cc1ccccc1C ZINC000517721659 333106654 /nfs/dbraw/zinc/10/66/54/333106654.db2.gz FHRFJYLDAASYJW-UHFFFAOYSA-N 0 1 293.414 3.973 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000521056282 333110747 /nfs/dbraw/zinc/11/07/47/333110747.db2.gz YBNBPKHYUYIHPP-GFCCVEGCSA-N 0 1 291.372 3.685 20 0 CHADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])oc1CC ZINC000521257615 333116597 /nfs/dbraw/zinc/11/65/97/333116597.db2.gz NACCRYZZTZIEJD-JSGCOSHPSA-N 0 1 293.407 3.941 20 0 CHADMN Cc1noc(C(C)(C)NCCC2CCCCCC2)n1 ZINC000521262710 333116833 /nfs/dbraw/zinc/11/68/33/333116833.db2.gz UVIWFAGWIKNGAZ-UHFFFAOYSA-N 0 1 265.401 3.563 20 0 CHADMN CSc1ccc([C@H](C)N[C@H](C)c2nccnc2C)cc1 ZINC000219115742 333141996 /nfs/dbraw/zinc/14/19/96/333141996.db2.gz JBVCLEFGHUIFPU-WCQYABFASA-N 0 1 287.432 3.919 20 0 CHADMN CC[C@@H](N[C@H](C)c1nccnc1C)c1ccccc1 ZINC000219121590 333142126 /nfs/dbraw/zinc/14/21/26/333142126.db2.gz KOJCUJFGGFSNJL-UKRRQHHQSA-N 0 1 255.365 3.587 20 0 CHADMN Cc1cc(CNCc2cc(O)cc(F)c2)ccc1Cl ZINC000185627119 333145296 /nfs/dbraw/zinc/14/52/96/333145296.db2.gz MELYUIBHPTTYDG-UHFFFAOYSA-N 0 1 279.742 3.783 20 0 CHADMN Cc1ccsc1CNC(C)(C)c1nc2ccccc2n1C ZINC000185641621 333145651 /nfs/dbraw/zinc/14/56/51/333145651.db2.gz DHJBLMKFIVIWPB-UHFFFAOYSA-N 0 1 299.443 3.968 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@@]2(C)CCCC[C@@H]2O)cs1 ZINC000186373435 333159727 /nfs/dbraw/zinc/15/97/27/333159727.db2.gz WTWSORCCWNLMTA-DUVNUKRYSA-N 0 1 296.480 3.858 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H](CO)CC(C)(C)C)cs1 ZINC000186426079 333160503 /nfs/dbraw/zinc/16/05/03/333160503.db2.gz WFAHDZUYHMQUOY-VXGBXAGGSA-N 0 1 284.469 3.714 20 0 CHADMN CC1(C)C[C@H](N[C@@H](CCO)c2ccco2)c2ccccc21 ZINC000186521007 333162236 /nfs/dbraw/zinc/16/22/36/333162236.db2.gz HVULNEDWNXRBBV-HOTGVXAUSA-N 0 1 285.387 3.715 20 0 CHADMN CCOC[C@H]1CCN([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000187115517 333167866 /nfs/dbraw/zinc/16/78/66/333167866.db2.gz JYASUMHHEDFRIO-RYUDHWBXSA-N 0 1 285.790 3.899 20 0 CHADMN Fc1cccc(F)c1[C@H]1CCN(Cc2ccco2)C1 ZINC000187593373 333172883 /nfs/dbraw/zinc/17/28/83/333172883.db2.gz YKFHHUIUUUZDML-NSHDSACASA-N 0 1 263.287 3.547 20 0 CHADMN Fc1cccc(F)c1[C@@H]1CCN(Cc2ccco2)C1 ZINC000187593357 333172958 /nfs/dbraw/zinc/17/29/58/333172958.db2.gz YKFHHUIUUUZDML-LLVKDONJSA-N 0 1 263.287 3.547 20 0 CHADMN CC=Cc1ccc(NC(=O)c2cccc3cn[nH]c32)cc1 ZINC000521662890 333183018 /nfs/dbraw/zinc/18/30/18/333183018.db2.gz BVKKAVLHEYRWGV-RQOWECAXSA-N 0 1 277.327 3.848 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCCC(C)(C)CC1 ZINC000575874828 335126925 /nfs/dbraw/zinc/12/69/25/335126925.db2.gz JTZHFWJIBWGCDU-UHFFFAOYSA-N 0 1 279.380 3.552 20 0 CHADMN Cc1ccc(N[C@H](c2nnc[nH]2)C2CCCCC2)cc1F ZINC000521731950 333185769 /nfs/dbraw/zinc/18/57/69/333185769.db2.gz WFRMMVWORMYVIP-HNNXBMFYSA-N 0 1 288.370 3.986 20 0 CHADMN CCC[N@H+](Cc1nc(-c2cccc(C)c2)no1)CC(C)C ZINC000521820072 333189917 /nfs/dbraw/zinc/18/99/17/333189917.db2.gz SSKIGMZSFAMPRZ-UHFFFAOYSA-N 0 1 287.407 3.913 20 0 CHADMN Cc1nc(C(C)(C)C)sc1[C@@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000222509144 333195262 /nfs/dbraw/zinc/19/52/62/333195262.db2.gz ZXFIALIBYHDKMJ-VHSXEESVSA-N 0 1 292.452 3.884 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](Cc1csc(C(=O)[O-])c1)C1CC1 ZINC000521887069 333195885 /nfs/dbraw/zinc/19/58/85/333195885.db2.gz YGFFQTBDJIIECD-SNVBAGLBSA-N 0 1 291.372 3.765 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1sccc1Cl ZINC000194407269 333270793 /nfs/dbraw/zinc/27/07/93/333270793.db2.gz LROIBBMPPCOVPD-SECBINFHSA-N 0 1 263.859 3.975 20 0 CHADMN Oc1cc(F)cc(CN2CCC[C@H]2c2ccccc2)c1 ZINC000223750362 333211815 /nfs/dbraw/zinc/21/18/15/333211815.db2.gz QSJGIGQLYFZBGV-KRWDZBQOSA-N 0 1 271.335 3.868 20 0 CHADMN C[C@H](c1ccc(Cl)cc1Cl)N1C[C@@H](C)[C@H](CO)C1 ZINC000190880564 333211976 /nfs/dbraw/zinc/21/19/76/333211976.db2.gz JWJHCOOFHXUVPT-MXWKQRLJSA-N 0 1 288.218 3.615 20 0 CHADMN CCC[C@@H](C)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000191582217 333221814 /nfs/dbraw/zinc/22/18/14/333221814.db2.gz RIRGTUHKGBHWJV-NEPJUHHUSA-N 0 1 265.401 3.957 20 0 CHADMN CO[C@@H](C)[C@H](C)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000191657804 333222953 /nfs/dbraw/zinc/22/29/53/333222953.db2.gz AFJDJZJSCVACGI-AVGNSLFASA-N 0 1 290.432 3.884 20 0 CHADMN CCO[C@@H]1C[C@@H](NCc2nc(C(C)(C)C)cs2)C1(C)C ZINC000224629190 333223881 /nfs/dbraw/zinc/22/38/81/333223881.db2.gz XSJYEDPSFKYRIS-DGCLKSJQSA-N 0 1 296.480 3.734 20 0 CHADMN CCC1(CC)CCN(Cc2cc(C(C)(C)C)on2)C1 ZINC000522036569 333230892 /nfs/dbraw/zinc/23/08/92/333230892.db2.gz SAHFSSDTULFXLI-UHFFFAOYSA-N 0 1 264.413 3.984 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2ncccc2O)C1 ZINC000522034976 333231139 /nfs/dbraw/zinc/23/11/39/333231139.db2.gz ISJMJBIMRYCJCX-MLGOLLRUSA-N 0 1 286.350 3.509 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCS[C@H](C)CC1 ZINC000192182855 333231758 /nfs/dbraw/zinc/23/17/58/333231758.db2.gz NVDRZEVEEJYLBO-MNOVXSKESA-N 0 1 271.376 3.853 20 0 CHADMN CC[C@H](C)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000192797232 333239450 /nfs/dbraw/zinc/23/94/50/333239450.db2.gz VYCGVDMJJFMGSD-QWRGUYRKSA-N 0 1 251.374 3.566 20 0 CHADMN c1coc(-c2ncc(CNCc3ccccc3)s2)c1 ZINC000192978176 333240823 /nfs/dbraw/zinc/24/08/23/333240823.db2.gz YWKSBKJTLALQGA-UHFFFAOYSA-N 0 1 270.357 3.693 20 0 CHADMN C[C@H](N[C@H]1COCc2ccccc21)c1ccc(F)c(F)c1 ZINC000225985232 333244222 /nfs/dbraw/zinc/24/42/22/333244222.db2.gz QGDWFFSMIDIHIG-GTNSWQLSSA-N 0 1 289.325 3.887 20 0 CHADMN COc1cccc([C@@H](C)N[C@@H]2COCc3ccccc32)c1 ZINC000225991448 333244672 /nfs/dbraw/zinc/24/46/72/333244672.db2.gz MAUYMLRRYWOUQT-FZKQIMNGSA-N 0 1 283.371 3.617 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N(Cc1cnn(C)c1)C1CC1 ZINC000195099738 333245433 /nfs/dbraw/zinc/24/54/33/333245433.db2.gz ABZLKXQEEADCNB-GFCCVEGCSA-N 0 1 289.810 3.799 20 0 CHADMN CCN(Cc1cnn(C)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000195107136 333245499 /nfs/dbraw/zinc/24/54/99/333245499.db2.gz MSRLMCKIMFPCIP-ZDUSSCGKSA-N 0 1 283.375 3.749 20 0 CHADMN COC[C@@H](NCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000193277647 333247031 /nfs/dbraw/zinc/24/70/31/333247031.db2.gz YRHSYCFMAOWTFE-MRXNPFEDSA-N 0 1 293.769 3.956 20 0 CHADMN CC[N@@H+](Cc1cc(-c2cccs2)on1)C(C)C ZINC000194088297 333265084 /nfs/dbraw/zinc/26/50/84/333265084.db2.gz BVBCVPRSSJAYRN-UHFFFAOYSA-N 0 1 250.367 3.633 20 0 CHADMN CCN(Cc1cc(-c2cccs2)on1)C(C)C ZINC000194088297 333265085 /nfs/dbraw/zinc/26/50/85/333265085.db2.gz BVBCVPRSSJAYRN-UHFFFAOYSA-N 0 1 250.367 3.633 20 0 CHADMN COc1cccc(CN[C@H](c2ccc(F)cc2)C(C)C)n1 ZINC000226759270 333268760 /nfs/dbraw/zinc/26/87/60/333268760.db2.gz VSNPXWTXDVUWOR-KRWDZBQOSA-N 0 1 288.366 3.716 20 0 CHADMN C[C@H](CCc1ccccc1)[N@@H+](C)Cc1nccn1C(F)F ZINC000194970444 333280250 /nfs/dbraw/zinc/28/02/50/333280250.db2.gz QRTKVKAXIOOSLR-CYBMUJFWSA-N 0 1 293.361 3.731 20 0 CHADMN C[C@H](CCc1ccccc1)N(C)Cc1nccn1C(F)F ZINC000194970444 333280251 /nfs/dbraw/zinc/28/02/51/333280251.db2.gz QRTKVKAXIOOSLR-CYBMUJFWSA-N 0 1 293.361 3.731 20 0 CHADMN CC(C)(O)C(C)(C)NCc1c(Cl)cccc1Cl ZINC000227344328 333281248 /nfs/dbraw/zinc/28/12/48/333281248.db2.gz WUJIISXCNHCHLS-UHFFFAOYSA-N 0 1 276.207 3.633 20 0 CHADMN C[C@H]1CCC[C@@H](NC(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000227535677 333285280 /nfs/dbraw/zinc/28/52/80/333285280.db2.gz YRERCEXIKGLHDO-CMPLNLGQSA-N 0 1 281.783 3.744 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227831281 333289161 /nfs/dbraw/zinc/28/91/61/333289161.db2.gz XUPOEBHQOBTSIK-ABAIWWIYSA-N 0 1 281.783 3.588 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2nc(C)c(C)o2)C12CCCCC2 ZINC000227863307 333289475 /nfs/dbraw/zinc/28/94/75/333289475.db2.gz CWMRDIWTRPDUDG-CABCVRRESA-N 0 1 292.423 3.509 20 0 CHADMN CC(C)N(Cc1cccs1)C(=O)c1c(O)cccc1F ZINC000228840809 333297854 /nfs/dbraw/zinc/29/78/54/333297854.db2.gz BEKVQZWHRFCSMP-UHFFFAOYSA-N 0 1 293.363 3.644 20 0 CHADMN O=C(Nc1ccc(C(F)(F)F)cc1)c1c(O)cccc1F ZINC000228836537 333297868 /nfs/dbraw/zinc/29/78/68/333297868.db2.gz WEJSFKJGMBPEBA-UHFFFAOYSA-N 0 1 299.223 3.802 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2ccc(OC(F)F)cc2)C[C@H](C)O1 ZINC000523017122 333304878 /nfs/dbraw/zinc/30/48/78/333304878.db2.gz XXKVCULSIZGHSV-SGMGOOAPSA-N 0 1 299.361 3.848 20 0 CHADMN COc1ccc(CNCc2ccc(Cl)s2)c(F)c1 ZINC000229742282 333308999 /nfs/dbraw/zinc/30/89/99/333308999.db2.gz FNSMFXMYQFVUEK-UHFFFAOYSA-N 0 1 285.771 3.839 20 0 CHADMN CCc1ccc([C@H](C)NCc2cncc(F)c2)cc1 ZINC000230938044 333322878 /nfs/dbraw/zinc/32/28/78/333322878.db2.gz XKGKCXFJJNUNKM-LBPRGKRZSA-N 0 1 258.340 3.634 20 0 CHADMN Fc1cncc(CNCc2cccc(C(F)(F)F)c2)c1 ZINC000230938089 333322949 /nfs/dbraw/zinc/32/29/49/333322949.db2.gz UXOUTBDEENPECO-UHFFFAOYSA-N 0 1 284.256 3.529 20 0 CHADMN C[C@H](O)C[C@H]1CCCCN1Cc1ccc(F)c(Cl)c1 ZINC000231084801 333323997 /nfs/dbraw/zinc/32/39/97/333323997.db2.gz CYHSFLNTXDKOKK-WCQYABFASA-N 0 1 285.790 3.605 20 0 CHADMN C[C@H]1c2c(F)cccc2CCN1CCOC(C)(C)C ZINC000523448908 333327751 /nfs/dbraw/zinc/32/77/51/333327751.db2.gz OZQLARIXPQSEFD-LBPRGKRZSA-N 0 1 265.372 3.560 20 0 CHADMN CC(C)Oc1ccccc1C[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000575941619 335134041 /nfs/dbraw/zinc/13/40/41/335134041.db2.gz ZDEXAUIEOWNAKX-GOSISDBHSA-N 0 1 291.435 3.721 20 0 CHADMN COc1ccccc1CN(C)CCOc1cc(C)ccc1C ZINC000301603798 333330937 /nfs/dbraw/zinc/33/09/37/333330937.db2.gz DDKDKJBXZYGQBN-UHFFFAOYSA-N 0 1 299.414 3.823 20 0 CHADMN CC[C@@H](C)CN(C)CC(=O)Nc1cccc(Cl)c1C ZINC000523609342 333334042 /nfs/dbraw/zinc/33/40/42/333334042.db2.gz JGDWRTUVYGHBMT-LLVKDONJSA-N 0 1 282.815 3.565 20 0 CHADMN CC[C@@H](C)CN(C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000523607763 333334061 /nfs/dbraw/zinc/33/40/61/333334061.db2.gz VMSHTXHPYXGIGQ-CQSZACIVSA-N 0 1 290.451 3.901 20 0 CHADMN CC(C)Cn1ccnc1NCc1cccc2cccnc21 ZINC000232685307 333340465 /nfs/dbraw/zinc/34/04/65/333340465.db2.gz WDEPULRUEQCGSS-UHFFFAOYSA-N 0 1 280.375 3.699 20 0 CHADMN CCCc1ncc(C(=O)Nc2cccc(Cl)c2O)s1 ZINC000173474083 335135200 /nfs/dbraw/zinc/13/52/00/335135200.db2.gz CEYBSOJHYZCHHR-UHFFFAOYSA-N 0 1 296.779 3.707 20 0 CHADMN CN(Cc1coc(-c2cccs2)n1)CC(C)(C)C ZINC000524025016 333351944 /nfs/dbraw/zinc/35/19/44/333351944.db2.gz KORVAEQBYASTFE-UHFFFAOYSA-N 0 1 264.394 3.881 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2csc(C(C)(C)C)n2)C1 ZINC000524620986 333369278 /nfs/dbraw/zinc/36/92/78/333369278.db2.gz PUMGMZGWJZVKLO-QWRGUYRKSA-N 0 1 252.427 3.671 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2C2CCCC2)cc1F ZINC000236475122 333373578 /nfs/dbraw/zinc/37/35/78/333373578.db2.gz NLZDQPPMESEDMI-INIZCTEOSA-N 0 1 291.366 3.679 20 0 CHADMN CCCC[C@@H](NCc1nnc2ccccn21)c1ccccc1 ZINC000315702616 333383166 /nfs/dbraw/zinc/38/31/66/333383166.db2.gz VTOXGZWEAQHSND-MRXNPFEDSA-N 0 1 294.402 3.750 20 0 CHADMN CC[C@@H](O)[C@@H]1CCCCN1Cc1ccc(F)cc1Cl ZINC000524856552 333390930 /nfs/dbraw/zinc/39/09/30/333390930.db2.gz RHGGBVDFBZDPLD-LSDHHAIUSA-N 0 1 285.790 3.605 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2cc(-c3cccs3)on2)C1 ZINC000524893920 333392308 /nfs/dbraw/zinc/39/23/08/333392308.db2.gz UHRFWAHHUMSVNZ-MNOVXSKESA-N 0 1 262.378 3.633 20 0 CHADMN C[C@@H]1C[C@H](C)CN1CC(=O)Nc1ccccc1C(C)(C)C ZINC000524908259 333393298 /nfs/dbraw/zinc/39/32/98/333393298.db2.gz PRCMJPXUFVLLAE-UONOGXRCSA-N 0 1 288.435 3.653 20 0 CHADMN Cc1ncc(CNCc2cc(C)cc(Cl)c2)s1 ZINC000339240675 335142789 /nfs/dbraw/zinc/14/27/89/335142789.db2.gz SMFXQGKPXALFNE-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN CC1(CC(F)(F)F)CN(Cc2ccc3cc[nH]c3c2)C1 ZINC000529609771 333500991 /nfs/dbraw/zinc/50/09/91/333500991.db2.gz VTRFFLBDDITCOG-UHFFFAOYSA-N 0 1 282.309 3.942 20 0 CHADMN CC(C)CC[C@@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000328395259 333532206 /nfs/dbraw/zinc/53/22/06/333532206.db2.gz VGCLYVXKJVVMQT-LLVKDONJSA-N 0 1 255.789 3.960 20 0 CHADMN COc1cccc([C@@H](C)NCc2ccc(Cl)o2)c1 ZINC000037771602 333538536 /nfs/dbraw/zinc/53/85/36/333538536.db2.gz IDUVAOTYCRCVLP-SNVBAGLBSA-N 0 1 265.740 3.792 20 0 CHADMN Cc1nc(CN2C[C@@H](C)CC[C@@H]2C)nc2ccccc12 ZINC000174013560 335146794 /nfs/dbraw/zinc/14/67/94/335146794.db2.gz HXHOUXVNWAPPOM-STQMWFEESA-N 0 1 269.392 3.559 20 0 CHADMN CCc1cc(CN[C@@H](c2ccc(F)c(C)c2)C2CC2)on1 ZINC000539214632 333661321 /nfs/dbraw/zinc/66/13/21/333661321.db2.gz RRCCPVMFTISENI-QGZVFWFLSA-N 0 1 288.366 3.925 20 0 CHADMN CO[C@@H](C)[C@@H](C)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000539691263 333685515 /nfs/dbraw/zinc/68/55/15/333685515.db2.gz XPPWOCUEBPPIPJ-ZJUUUORDSA-N 0 1 288.218 3.996 20 0 CHADMN CCc1ccc([C@@H](CO)N[C@H]2CCc3c2cccc3F)cc1 ZINC000540143181 333712204 /nfs/dbraw/zinc/71/22/04/333712204.db2.gz MUNKTIHOIGWMJB-RBUKOAKNSA-N 0 1 299.389 3.699 20 0 CHADMN COCC[C@@H](NCc1ccnc2ccccc12)c1ccco1 ZINC000540941819 333754492 /nfs/dbraw/zinc/75/44/92/333754492.db2.gz COWIZDFJNPEVGN-QGZVFWFLSA-N 0 1 296.370 3.695 20 0 CHADMN COC(=O)c1ccc([C@@H](C)NC(C)(C)c2cccs2)o1 ZINC000541644674 333785722 /nfs/dbraw/zinc/78/57/22/333785722.db2.gz KXZRJQAITIVFNB-SNVBAGLBSA-N 0 1 293.388 3.714 20 0 CHADMN Cc1nc(-c2ccccc2)sc1[C@H](C)NCCF ZINC000541660662 333786312 /nfs/dbraw/zinc/78/63/12/333786312.db2.gz RTXKHTCYRHUNIF-JTQLQIEISA-N 0 1 264.369 3.739 20 0 CHADMN Fc1cccc(Cl)c1CNCCOC1CCCCC1 ZINC000070168109 333800592 /nfs/dbraw/zinc/80/05/92/333800592.db2.gz XOPUKPCHIZEUSN-UHFFFAOYSA-N 0 1 285.790 3.918 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNCCOC2CCCCC2)o1 ZINC000070168077 333800721 /nfs/dbraw/zinc/80/07/21/333800721.db2.gz HKZLONFEZUBIEB-BBRMVZONSA-N 0 1 277.408 3.842 20 0 CHADMN C[C@H]1CC[C@H](N[C@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000542495384 333827954 /nfs/dbraw/zinc/82/79/54/333827954.db2.gz VDKOQEGINMYMDF-MZMPZRCHSA-N 0 1 299.393 3.873 20 0 CHADMN C[C@@H](NCc1cnn2ccccc12)c1ccccc1Cl ZINC000071372689 333857081 /nfs/dbraw/zinc/85/70/81/333857081.db2.gz RIRVVSZRZDXPCE-GFCCVEGCSA-N 0 1 285.778 3.839 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H]1CCc3ccc(F)cc31)CO2 ZINC000130725293 333868274 /nfs/dbraw/zinc/86/82/74/333868274.db2.gz UMHDEXTVCMKFNU-DLBZAZTESA-N 0 1 283.346 3.845 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N(C1CC1)C1CCCC1 ZINC000543749474 333895165 /nfs/dbraw/zinc/89/51/65/333895165.db2.gz UIJQZLLXOBZSLO-UHFFFAOYSA-N 0 1 279.767 3.593 20 0 CHADMN CCN(CC)[C@H](C)c1nc2ccccc2n1C(F)F ZINC000072557608 333943119 /nfs/dbraw/zinc/94/31/19/333943119.db2.gz RQPSIJYZFZAEBP-SNVBAGLBSA-N 0 1 267.323 3.834 20 0 CHADMN Cc1cc([C@H](C)NCCc2ccc(OC(C)C)cc2)no1 ZINC000576216437 335171441 /nfs/dbraw/zinc/17/14/41/335171441.db2.gz KRJPGODXOXVVJL-AWEZNQCLSA-N 0 1 288.391 3.664 20 0 CHADMN Cc1ncsc1CN[C@@H]1CC(C)(C)Cc2occc21 ZINC000132388952 333978806 /nfs/dbraw/zinc/97/88/06/333978806.db2.gz UQFFZYDQVJQLOZ-GFCCVEGCSA-N 0 1 276.405 3.848 20 0 CHADMN Cc1cc(Br)cc2[nH]c(-c3ccn(C)c3)nc21 ZINC000546043844 334014289 /nfs/dbraw/zinc/01/42/89/334014289.db2.gz ARGRHEJILUFAKM-UHFFFAOYSA-N 0 1 290.164 3.639 20 0 CHADMN C(=C/[C@@H]1CCCCCN1Cc1cnccn1)\c1cccs1 ZINC000564300302 334016999 /nfs/dbraw/zinc/01/69/99/334016999.db2.gz BMUUSJWSFLAHCZ-WAVCKPEOSA-N 0 1 299.443 3.996 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@@H](C)c1nc2ccccc2n1C ZINC000546167264 334018020 /nfs/dbraw/zinc/01/80/20/334018020.db2.gz YBFPJUPXAVXOTC-WDEREUQCSA-N 0 1 299.340 3.955 20 0 CHADMN CCN(Cc1nc([C@H](C)OCC(C)C)no1)[C@@H](C)C(C)C ZINC000074989274 334021861 /nfs/dbraw/zinc/02/18/61/334021861.db2.gz YTESCSKBGKWCBS-KBPBESRZSA-N 0 1 297.443 3.670 20 0 CHADMN CC(C)C[C@@H]1CCCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000133242443 334030097 /nfs/dbraw/zinc/03/00/97/334030097.db2.gz VQUVHZJFXPMTKV-LBPRGKRZSA-N 0 1 281.783 3.696 20 0 CHADMN CCC[C@@H](C)Cc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000546437769 334032559 /nfs/dbraw/zinc/03/25/59/334032559.db2.gz DSAJXRHGWSSDCI-SNVBAGLBSA-N 0 1 284.363 3.900 20 0 CHADMN Cc1cc(C)cc(-c2nc(-c3ccc4[nH]cnc4c3)no2)c1 ZINC000546454475 334033471 /nfs/dbraw/zinc/03/34/71/334033471.db2.gz XJTPVOZWQJOQQR-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Cc1nc2ccc(CSc3nc(C)c(C)o3)cc2[nH]1 ZINC000546641146 334042978 /nfs/dbraw/zinc/04/29/78/334042978.db2.gz MPWWBEZMPOJPEK-UHFFFAOYSA-N 0 1 273.361 3.768 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2COc3ccc(F)cc32)s1 ZINC000546649205 334043560 /nfs/dbraw/zinc/04/35/60/334043560.db2.gz NYURJRYVCCRAAX-GWCFXTLKSA-N 0 1 277.364 3.980 20 0 CHADMN CC(C)Cc1noc(CN[C@H]2CCC[C@H]2c2ccccc2)n1 ZINC000133659310 334049188 /nfs/dbraw/zinc/04/91/88/334049188.db2.gz KPPOMLKEKGLOON-HOTGVXAUSA-N 0 1 299.418 3.694 20 0 CHADMN Cc1ccc(C(C)(C)NCc2cnc(C3CC3)s2)cn1 ZINC000546759904 334050074 /nfs/dbraw/zinc/05/00/74/334050074.db2.gz KBWFCXYOGRJHMN-UHFFFAOYSA-N 0 1 287.432 3.749 20 0 CHADMN CC(C)C1CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000075833759 334053381 /nfs/dbraw/zinc/05/33/81/334053381.db2.gz NKRFIPXUPPATOG-UHFFFAOYSA-N 0 1 293.382 3.560 20 0 CHADMN CC[C@@H](CC(F)(F)F)N=c1[nH]c(C(F)(F)F)cs1 ZINC000546883130 334053766 /nfs/dbraw/zinc/05/37/66/334053766.db2.gz HUXDXBAXQFMJET-YFKPBYRVSA-N 0 1 292.248 3.727 20 0 CHADMN CCC(CC)c1noc(-c2cc(-c3ccoc3)n[nH]2)n1 ZINC000547084254 334065525 /nfs/dbraw/zinc/06/55/25/334065525.db2.gz KFHKIEZGVGVDTK-UHFFFAOYSA-N 0 1 272.308 3.623 20 0 CHADMN Cc1cc(Cc2nc(-c3ccc4sccc4c3)no2)[nH]n1 ZINC000547105761 334066826 /nfs/dbraw/zinc/06/68/26/334066826.db2.gz SIKPBSRHYHEHLC-UHFFFAOYSA-N 0 1 296.355 3.574 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2NCc1cnc(C2CC2)s1 ZINC000133880018 334067822 /nfs/dbraw/zinc/06/78/22/334067822.db2.gz WLTPZZRZQBSATQ-ZDUSSCGKSA-N 0 1 274.389 3.781 20 0 CHADMN CC[C@@H]1CC[C@H](c2nc(-c3cc4nc[nH]c4c(C)c3)no2)O1 ZINC000547137396 334068636 /nfs/dbraw/zinc/06/86/36/334068636.db2.gz IPAYPMFWZNDCKN-DGCLKSJQSA-N 0 1 298.346 3.551 20 0 CHADMN Cc1cc(-c2noc([C@H](C)N3CCC[C@@H]3C)n2)ccc1F ZINC000076114457 334072935 /nfs/dbraw/zinc/07/29/35/334072935.db2.gz OMHOVOGQBZVRKH-RYUDHWBXSA-N 0 1 289.354 3.729 20 0 CHADMN C[C@H](NCc1ccc2ncccc2c1)c1ccoc1 ZINC000134052437 334079015 /nfs/dbraw/zinc/07/90/15/334079015.db2.gz YXTLYBGYDFAPHA-LBPRGKRZSA-N 0 1 252.317 3.679 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccco2)ccc1OC(F)F ZINC000237172177 334082793 /nfs/dbraw/zinc/08/27/93/334082793.db2.gz GZJPBAZUTQLBGV-JTQLQIEISA-N 0 1 297.301 3.740 20 0 CHADMN Fc1ccc(CNCc2ccoc2)c(C(F)(F)F)c1 ZINC000134284354 334086875 /nfs/dbraw/zinc/08/68/75/334086875.db2.gz AAFIXSMLBVYZIC-UHFFFAOYSA-N 0 1 273.229 3.727 20 0 CHADMN CN(C(=O)c1c(O)cccc1F)[C@@H]1CCCc2ccccc21 ZINC000547468055 334090825 /nfs/dbraw/zinc/09/08/25/334090825.db2.gz JQKPZEJJLGZZCL-OAHLLOKOSA-N 0 1 299.345 3.681 20 0 CHADMN COC(=O)c1coc(CN[C@@H](c2ccccc2)C(C)C)c1 ZINC000134501360 334092334 /nfs/dbraw/zinc/09/23/34/334092334.db2.gz WEAUZKWJRQGWMW-MRXNPFEDSA-N 0 1 287.359 3.553 20 0 CHADMN CCCCc1noc(CN[C@H]2CCCC[C@H]2CCC)n1 ZINC000547509499 334096269 /nfs/dbraw/zinc/09/62/69/334096269.db2.gz CYBXFGRAGZKMDK-KGLIPLIRSA-N 0 1 279.428 3.861 20 0 CHADMN CCC[C@H]1CCCC[C@H]1NCc1ncn(-c2ccccc2)n1 ZINC000547509239 334096335 /nfs/dbraw/zinc/09/63/35/334096335.db2.gz PALCZKIFEJQAOG-DOTOQJQBSA-N 0 1 298.434 3.716 20 0 CHADMN C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1cc(Cl)ccc1Cl ZINC000134644716 334098830 /nfs/dbraw/zinc/09/88/30/334098830.db2.gz MHMRBHVIPWDQAU-JBLDHEPKSA-N 0 1 286.202 3.581 20 0 CHADMN Cc1ccc(CN[C@H](C)c2nc3c(s2)CCC3)s1 ZINC000134771076 334103836 /nfs/dbraw/zinc/10/38/36/334103836.db2.gz PAWZMUIXNQBFPE-SNVBAGLBSA-N 0 1 278.446 3.853 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000134971489 334110118 /nfs/dbraw/zinc/11/01/18/334110118.db2.gz XWDAPIFWBWKCOB-ZJUUUORDSA-N 0 1 286.188 3.819 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2ccc(F)c(Br)c2)C1 ZINC000134971489 334110119 /nfs/dbraw/zinc/11/01/19/334110119.db2.gz XWDAPIFWBWKCOB-ZJUUUORDSA-N 0 1 286.188 3.819 20 0 CHADMN CC[C@@H](NC/C=C/c1ccccc1)c1nccs1 ZINC000078004561 334120253 /nfs/dbraw/zinc/12/02/53/334120253.db2.gz CTFHGPSNNUASLX-VIIAAUOXSA-N 0 1 258.390 3.897 20 0 CHADMN COc1ccc(-c2cnc(CN(C)CCC3CC3)o2)cc1 ZINC000135251587 334121888 /nfs/dbraw/zinc/12/18/88/334121888.db2.gz ONTIFWXIZJXEDM-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN COc1nc2ccccc2cc1CNC[C@@H](C)C(F)(F)F ZINC000547822994 334123126 /nfs/dbraw/zinc/12/31/26/334123126.db2.gz CIQXAIPZPLXJEK-SNVBAGLBSA-N 0 1 298.308 3.531 20 0 CHADMN C[C@H](C(=O)Nc1ccc(F)cc1Cl)N(C)CCC1CC1 ZINC000135279338 334123320 /nfs/dbraw/zinc/12/33/20/334123320.db2.gz JITZKWAYXAKKTB-SNVBAGLBSA-N 0 1 298.789 3.538 20 0 CHADMN CCN(CCCO)Cc1sc2ccccc2c1Cl ZINC000135418660 334129187 /nfs/dbraw/zinc/12/91/87/334129187.db2.gz FPFOGSDBMDALEN-UHFFFAOYSA-N 0 1 283.824 3.759 20 0 CHADMN Cc1nc(SCc2ccno2)[nH]c1-c1ccccc1 ZINC000547955301 334131265 /nfs/dbraw/zinc/13/12/65/334131265.db2.gz NCUOQZXVDINVQS-UHFFFAOYSA-N 0 1 271.345 3.665 20 0 CHADMN CCCCN(C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000078338454 334131505 /nfs/dbraw/zinc/13/15/05/334131505.db2.gz LGEOGECQIUHHCA-SNVBAGLBSA-N 0 1 265.382 3.591 20 0 CHADMN CC[C@@]1(C)CN(Cc2cc(C)nc3ccccc23)CCO1 ZINC000135624713 334134736 /nfs/dbraw/zinc/13/47/36/334134736.db2.gz CEILNXGOLCLBLX-SFHVURJKSA-N 0 1 284.403 3.544 20 0 CHADMN C[C@H](NCc1ccc(CO)o1)c1cccc2ccccc21 ZINC000078834179 334141212 /nfs/dbraw/zinc/14/12/12/334141212.db2.gz JCFSAKMVZIWHCP-ZDUSSCGKSA-N 0 1 281.355 3.776 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N(C)c1cc(C)cc(C)c1 ZINC000136554587 334157611 /nfs/dbraw/zinc/15/76/11/334157611.db2.gz YVJOJWNWPWEMRS-UHFFFAOYSA-N 0 1 285.391 3.735 20 0 CHADMN Cc1cc(OCCCOCCc2ccccc2)cc(C)n1 ZINC000548470171 334158722 /nfs/dbraw/zinc/15/87/22/334158722.db2.gz XPCLDBPCDCTJNI-UHFFFAOYSA-N 0 1 285.387 3.727 20 0 CHADMN C[C@H](CN[C@@H](C)c1ccc(F)cc1F)C(F)(F)F ZINC000548485933 334159856 /nfs/dbraw/zinc/15/98/56/334159856.db2.gz ZUWAUGNFFWQMPA-SFYZADRCSA-N 0 1 267.241 3.814 20 0 CHADMN Cc1cccc(CNCc2cccc3c2OC(C)(C)C3)c1 ZINC000080507136 334172248 /nfs/dbraw/zinc/17/22/48/334172248.db2.gz KXYHTZHVDCBGMC-UHFFFAOYSA-N 0 1 281.399 3.998 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(Cl)cc2)cc1O ZINC000080962321 334175626 /nfs/dbraw/zinc/17/56/26/334175626.db2.gz OUGKJIUCYRMUGL-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN Cc1nc2cc(N[C@@H]3CC[C@@H]3C3CCC3)ccc2n1C ZINC000548881375 334178621 /nfs/dbraw/zinc/17/86/21/334178621.db2.gz ILIOEDGMGNXTHL-HUUCEWRRSA-N 0 1 269.392 3.872 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H]1C1CCC1)c1noc(-c2ccccc2)n1 ZINC000548883608 334178722 /nfs/dbraw/zinc/17/87/22/334178722.db2.gz MLUFNROYGONWQA-APHBMKBZSA-N 0 1 297.402 3.966 20 0 CHADMN O[C@@H]1CCCC[C@@H]1N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000549187791 334187464 /nfs/dbraw/zinc/18/74/64/334187464.db2.gz VEFPOVPEKIFBNJ-XHSDSOJGSA-N 0 1 297.801 3.514 20 0 CHADMN COC(=O)C(C)(C)CCN1CC[C@H]1c1ccc(Cl)cc1 ZINC000549350215 334191087 /nfs/dbraw/zinc/19/10/87/334191087.db2.gz QCUYVQIBDPLRNN-AWEZNQCLSA-N 0 1 295.810 3.676 20 0 CHADMN FC(F)O[C@H]1CC[N@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000549409083 334193140 /nfs/dbraw/zinc/19/31/40/334193140.db2.gz KPOKPVZQCMYHTP-WCQYABFASA-N 0 1 287.737 3.641 20 0 CHADMN FC(F)O[C@H]1CCN([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000549409083 334193141 /nfs/dbraw/zinc/19/31/41/334193141.db2.gz KPOKPVZQCMYHTP-WCQYABFASA-N 0 1 287.737 3.641 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N1CC[C@H](OC(F)F)C1 ZINC000549412014 334193254 /nfs/dbraw/zinc/19/32/54/334193254.db2.gz GMPBHQPJKWFEGL-SKDRFNHKSA-N 0 1 275.726 3.715 20 0 CHADMN COc1cccc([C@H](C)N2CCc3sccc3C2)c1 ZINC000081647537 334201640 /nfs/dbraw/zinc/20/16/40/334201640.db2.gz OPOZJNRRTZSMBI-LBPRGKRZSA-N 0 1 273.401 3.876 20 0 CHADMN COC1(CCN2CC[C@@](F)(c3ccccc3F)C2)CCC1 ZINC000549688143 334201917 /nfs/dbraw/zinc/20/19/17/334201917.db2.gz OPCRYGQGSXZXRM-KRWDZBQOSA-N 0 1 295.373 3.655 20 0 CHADMN c1ccc2c(CNc3cc4c(cn3)CCC4)ccnc2c1 ZINC000549927393 334209254 /nfs/dbraw/zinc/20/92/54/334209254.db2.gz AIMNRHAKWVTJOC-UHFFFAOYSA-N 0 1 275.355 3.731 20 0 CHADMN CCCCN(Cc1noc(CC)n1)[C@@H]1CCC[C@H](C)C1 ZINC000550000575 334211334 /nfs/dbraw/zinc/21/13/34/334211334.db2.gz LJGZTDXZSPEUQH-UONOGXRCSA-N 0 1 279.428 3.813 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CC[C@H](CC2CC2)C1 ZINC000550032076 334211826 /nfs/dbraw/zinc/21/18/26/334211826.db2.gz DSEQIUVXZQTAKH-DGCLKSJQSA-N 0 1 277.412 3.550 20 0 CHADMN COc1ccc(F)c(CNCc2ccc(C)c(F)c2)c1 ZINC000550079960 334212596 /nfs/dbraw/zinc/21/25/96/334212596.db2.gz OZHLUPAAESXKDB-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN COc1cccc([C@H](C)NCc2cc(OC)ccc2F)c1 ZINC000550099606 334212991 /nfs/dbraw/zinc/21/29/91/334212991.db2.gz CCGFAZJBRHDVBI-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN CC(C)(C)c1n[nH]cc1CN1CCS[C@H]2CCCC[C@H]21 ZINC000245705151 334213992 /nfs/dbraw/zinc/21/39/92/334213992.db2.gz DYJSTMQSWRSKGQ-KGLIPLIRSA-N 0 1 293.480 3.567 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@@H](C)c2csc(CC)n2)C1(C)C ZINC000245844413 334221157 /nfs/dbraw/zinc/22/11/57/334221157.db2.gz FEHRRWNUQRLEBX-WCFLWFBJSA-N 0 1 282.453 3.560 20 0 CHADMN O=C(c1cnc(-c2ccccc2)[nH]1)N(C1CC1)C1CCCC1 ZINC000550679181 334226746 /nfs/dbraw/zinc/22/67/46/334226746.db2.gz BDGGOJZYHUCNND-UHFFFAOYSA-N 0 1 295.386 3.624 20 0 CHADMN CC[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)CC1 ZINC000550856794 334230464 /nfs/dbraw/zinc/23/04/64/334230464.db2.gz XAQBCAFIVNJFSG-AWEZNQCLSA-N 0 1 297.402 3.729 20 0 CHADMN COC[C@@H](N[C@@H]1CCC[C@@H]1F)c1cccc(Cl)c1 ZINC000550930076 334233189 /nfs/dbraw/zinc/23/31/89/334233189.db2.gz DEIGHLKAUWRJPF-BFHYXJOUSA-N 0 1 271.763 3.508 20 0 CHADMN C[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)C[C@@H](c2ccccc2)O1 ZINC000551088727 334238244 /nfs/dbraw/zinc/23/82/44/334238244.db2.gz FUVLZDOLLAWBBX-FMKPAKJESA-N 0 1 295.373 3.884 20 0 CHADMN CC(C)C1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)CC1 ZINC000551105885 334238867 /nfs/dbraw/zinc/23/88/67/334238867.db2.gz JLQRXBGWLVRDDB-UHFFFAOYSA-N 0 1 297.402 3.585 20 0 CHADMN Cc1cccnc1[C@@H]1CCC[C@@H](NCC(C)(F)F)C1 ZINC000551251833 334242972 /nfs/dbraw/zinc/24/29/72/334242972.db2.gz FHGNNICJCGROMB-CHWSQXEVSA-N 0 1 268.351 3.661 20 0 CHADMN CCc1ccccc1CN[C@H](C)c1cn2ccccc2n1 ZINC000551267883 334244182 /nfs/dbraw/zinc/24/41/82/334244182.db2.gz WUQYBDDXAZTKLQ-CQSZACIVSA-N 0 1 279.387 3.748 20 0 CHADMN Cc1ccc2nc(CNC(=O)C(C)(C)C(C)(C)C)[nH]c2c1 ZINC000551276245 334244881 /nfs/dbraw/zinc/24/48/81/334244881.db2.gz HWLAMCPCUCVVPE-UHFFFAOYSA-N 0 1 287.407 3.560 20 0 CHADMN CC1=CC[C@@H](NCc2cc(COC(C)(C)C)on2)CC1 ZINC000551283811 334245077 /nfs/dbraw/zinc/24/50/77/334245077.db2.gz VXMIZZTUHHBMDO-CYBMUJFWSA-N 0 1 278.396 3.578 20 0 CHADMN CC[C@@H]1CCN([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000246302289 334249374 /nfs/dbraw/zinc/24/93/74/334249374.db2.gz VJDZPIGRNWCDMX-VXGBXAGGSA-N 0 1 250.386 3.765 20 0 CHADMN Cc1noc(C(C)(C)NC[C@@H](C)CC2CCCCC2)n1 ZINC000551614721 334256049 /nfs/dbraw/zinc/25/60/49/334256049.db2.gz GJOONRACDJTNCQ-LBPRGKRZSA-N 0 1 279.428 3.809 20 0 CHADMN CC[C@H](N[C@H](C)c1c(F)cccc1F)[C@H]1CCCO1 ZINC000246556151 334264120 /nfs/dbraw/zinc/26/41/20/334264120.db2.gz WWZHUTIVRPEUHE-DDTOSNHZSA-N 0 1 269.335 3.573 20 0 CHADMN CC[C@H](C)[C@H](C)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000246885795 334271344 /nfs/dbraw/zinc/27/13/44/334271344.db2.gz OUBFGEQEPKWVJW-MELADBBJSA-N 0 1 287.407 3.746 20 0 CHADMN CCO[C@@H]1C[C@@H]1N[C@H](CCC(C)C)c1ccoc1 ZINC000552055620 334282226 /nfs/dbraw/zinc/28/22/26/334282226.db2.gz WPLMHKFPKUFSPX-QLFBSQMISA-N 0 1 251.370 3.524 20 0 CHADMN COC[C@H]1CCN1Cc1ccc(-c2ccccc2)cc1F ZINC000552084688 334287130 /nfs/dbraw/zinc/28/71/30/334287130.db2.gz UOXWNLPDSXZZQW-QGZVFWFLSA-N 0 1 285.362 3.713 20 0 CHADMN CCCCc1noc(CN2CCC[C@@H]3CCCC[C@H]32)n1 ZINC000248195798 334297047 /nfs/dbraw/zinc/29/70/47/334297047.db2.gz PKCGBOCCRGIQMS-UONOGXRCSA-N 0 1 277.412 3.567 20 0 CHADMN CCc1ccc(CNCc2cc3ccccc3o2)cn1 ZINC000552163202 334297745 /nfs/dbraw/zinc/29/77/45/334297745.db2.gz JLMQAONPBBKCSN-UHFFFAOYSA-N 0 1 266.344 3.680 20 0 CHADMN CC(C)Cn1cc(CN2C[C@@H](C)[C@@H]2c2ccccc2)cn1 ZINC000248384949 334299581 /nfs/dbraw/zinc/29/95/81/334299581.db2.gz GOVWAQKOQPULEI-CRAIPNDOSA-N 0 1 283.419 3.732 20 0 CHADMN C[C@H](c1nc(Cc2ccccc2)no1)N1CCCC[C@H](C)C1 ZINC000248543392 334305594 /nfs/dbraw/zinc/30/55/94/334305594.db2.gz DAOHXFLULZTACW-LSDHHAIUSA-N 0 1 299.418 3.843 20 0 CHADMN CCCCOC[C@H](O)CN(C)[C@H](C)c1ccccc1Cl ZINC000248640412 334310369 /nfs/dbraw/zinc/31/03/69/334310369.db2.gz CAOWVVUAPUVBLB-ZIAGYGMSSA-N 0 1 299.842 3.510 20 0 CHADMN Cc1noc([C@H]2CCCCN2CCC2CCCCC2)n1 ZINC000552268584 334310493 /nfs/dbraw/zinc/31/04/93/334310493.db2.gz RFLYHEXYENXKEX-OAHLLOKOSA-N 0 1 277.412 3.875 20 0 CHADMN CC1=CCN(Cc2cnc(C(C)(C)C)s2)CC1 ZINC000552300554 334314786 /nfs/dbraw/zinc/31/47/86/334314786.db2.gz ORCMBGDDGKEJHM-UHFFFAOYSA-N 0 1 250.411 3.593 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCS[C@H](C)CC1 ZINC000249056612 334325910 /nfs/dbraw/zinc/32/59/10/334325910.db2.gz ORMXKMAVXPZGLG-GHMZBOCLSA-N 0 1 271.376 3.853 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCSC[C@@H](C)C1 ZINC000249068651 334326758 /nfs/dbraw/zinc/32/67/58/334326758.db2.gz QAWHENNYJMVNPS-WDEREUQCSA-N 0 1 271.376 3.711 20 0 CHADMN CCCN(Cc1cocn1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000249322428 334331899 /nfs/dbraw/zinc/33/18/99/334331899.db2.gz RDPNSDZABDXXIL-JKSUJKDBSA-N 0 1 292.423 3.624 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CCC[C@@H](C)CC1 ZINC000249814351 334340830 /nfs/dbraw/zinc/34/08/30/334340830.db2.gz AEEUKTPSFYOYDZ-VXGBXAGGSA-N 0 1 265.401 3.550 20 0 CHADMN CC[C@H](COC)N[C@H](c1ccccc1)c1ccccc1OC ZINC000089554936 334346646 /nfs/dbraw/zinc/34/66/46/334346646.db2.gz HBSVOOPVLCTKTE-VQIMIIECSA-N 0 1 299.414 3.799 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C(C)(C)c3ccccc3)ccc12 ZINC000091826455 334384137 /nfs/dbraw/zinc/38/41/37/334384137.db2.gz GCWDYYKFVGPNNF-UHFFFAOYSA-N 0 1 293.370 3.788 20 0 CHADMN c1nc(CN2C3CCC2CC3)sc1-c1ccccc1 ZINC000553468341 334386640 /nfs/dbraw/zinc/38/66/40/334386640.db2.gz JAMHLGVILGSQJK-UHFFFAOYSA-N 0 1 270.401 3.937 20 0 CHADMN Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000553812377 334399599 /nfs/dbraw/zinc/39/95/99/334399599.db2.gz WAIXSJRDMAOHLT-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN Cc1ccc(CCC(=O)Nc2nc3ccc(C)cc3[nH]2)s1 ZINC000553825406 334399898 /nfs/dbraw/zinc/39/98/98/334399898.db2.gz BSLIOMDGLZIDJF-UHFFFAOYSA-N 0 1 299.399 3.813 20 0 CHADMN Cc1ccoc1CN[C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000553898695 334402659 /nfs/dbraw/zinc/40/26/59/334402659.db2.gz OMTZKUXSFDDQPR-BZNIZROVSA-N 0 1 259.324 3.750 20 0 CHADMN CC(C)c1ccc(OCCN[C@@H](C)c2nccs2)cc1 ZINC000093402112 334463666 /nfs/dbraw/zinc/46/36/66/334463666.db2.gz CZNDVLJXVHAACV-ZDUSSCGKSA-N 0 1 290.432 3.996 20 0 CHADMN CC(F)(F)CN[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000555610387 334484525 /nfs/dbraw/zinc/48/45/25/334484525.db2.gz ZUXAWACKZLYUDL-UONOGXRCSA-N 0 1 253.336 3.643 20 0 CHADMN CCc1ccc(CNc2cc3c(cn2)CCC3)s1 ZINC000555635503 334485537 /nfs/dbraw/zinc/48/55/37/334485537.db2.gz IHMCDBZRKJTJTI-UHFFFAOYSA-N 0 1 258.390 3.806 20 0 CHADMN CC(C)(C)C1CC(N[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000556223808 334501060 /nfs/dbraw/zinc/50/10/60/334501060.db2.gz ZLNPEGBPQQVBNB-GPANFISMSA-N 0 1 283.419 3.913 20 0 CHADMN CC(C)c1nc(CN2CCC=C(F)C2)c2ccccn21 ZINC000556270817 334505337 /nfs/dbraw/zinc/50/53/37/334505337.db2.gz SMWDWFUEBJERMH-UHFFFAOYSA-N 0 1 273.355 3.517 20 0 CHADMN Cc1[nH+]ccn1Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC000565035586 334535444 /nfs/dbraw/zinc/53/54/44/334535444.db2.gz ODUHKHGOFFUGGP-UHFFFAOYSA-N 0 1 292.338 3.605 20 0 CHADMN C[C@H](O)[C@H](N[C@@H](C)c1cccs1)c1ccccc1F ZINC000565955830 334612013 /nfs/dbraw/zinc/61/20/13/334612013.db2.gz VYRKQPMUMSBMAM-PGUXBMHVSA-N 0 1 279.380 3.660 20 0 CHADMN Cn1cccc1CN1CCC(=Cc2cccc(F)c2)CC1 ZINC000567026436 334673972 /nfs/dbraw/zinc/67/39/72/334673972.db2.gz CILZOXFHBVRNTR-UHFFFAOYSA-N 0 1 284.378 3.844 20 0 CHADMN COc1cc(C)cc(CN[C@H](C)c2ccccc2F)c1 ZINC000155008653 334710622 /nfs/dbraw/zinc/71/06/22/334710622.db2.gz QRNLHTJEXYJYKU-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN Cc1nc2cc(NCc3scnc3C3CC3)ccc2n1C ZINC000567420815 334715037 /nfs/dbraw/zinc/71/50/37/334715037.db2.gz BTVIFFBQHMBDOI-UHFFFAOYSA-N 0 1 298.415 3.828 20 0 CHADMN COCc1ccc(CN[C@@H]2CCCc3ccccc32)o1 ZINC000268772037 334715730 /nfs/dbraw/zinc/71/57/30/334715730.db2.gz FLMDTBKHEHNETB-QGZVFWFLSA-N 0 1 271.360 3.593 20 0 CHADMN c1ccc(-c2nnc(CN(CC3CC3)CC3CC3)s2)cc1 ZINC000155561297 334723955 /nfs/dbraw/zinc/72/39/55/334723955.db2.gz QUXNRLCISNIDNY-UHFFFAOYSA-N 0 1 299.443 3.827 20 0 CHADMN COc1cc([C@H](C)NCc2cnccc2C(C)(C)C)ccn1 ZINC000568238845 334807428 /nfs/dbraw/zinc/80/74/28/334807428.db2.gz DTLUBHRYDDZJHQ-ZDUSSCGKSA-N 0 1 299.418 3.634 20 0 CHADMN c1ncn2ccc(-c3noc(C4=CCCCCC4)n3)cc12 ZINC000572762098 334876511 /nfs/dbraw/zinc/87/65/11/334876511.db2.gz CDECCLKHJXRYSP-UHFFFAOYSA-N 0 1 280.331 3.732 20 0 CHADMN CCc1cnc(CN(C)C[C@H](C)c2ccccc2)s1 ZINC000175502892 335186691 /nfs/dbraw/zinc/18/66/91/335186691.db2.gz TUSULBIDYSWXNV-ZDUSSCGKSA-N 0 1 274.433 3.941 20 0 CHADMN Cc1nc2ccccc2nc1CN[C@@H](C)c1ccccc1 ZINC000175556152 335187691 /nfs/dbraw/zinc/18/76/91/335187691.db2.gz ZIODEFDSNWJEBN-ZDUSSCGKSA-N 0 1 277.371 3.789 20 0 CHADMN Cc1ccc(-c2noc(-c3cc(Cl)ccc3O)n2)o1 ZINC000576577742 335221096 /nfs/dbraw/zinc/22/10/96/335221096.db2.gz SUACKQJGMFUWGG-UHFFFAOYSA-N 0 1 276.679 3.664 20 0 CHADMN Fc1ccc(-n2ccc(CN3CC[C@@H](CC4CC4)C3)n2)cc1 ZINC000576652472 335231493 /nfs/dbraw/zinc/23/14/93/335231493.db2.gz JHSXJNBDCHDUKH-HNNXBMFYSA-N 0 1 299.393 3.633 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000576710621 335238544 /nfs/dbraw/zinc/23/85/44/335238544.db2.gz NIFVUOAAKPOJQM-QOHRORDFSA-N 0 1 287.403 3.809 20 0 CHADMN CCOCc1nc([C@@H](C)N[C@@H](CC)C2CCCCC2)no1 ZINC000576747884 335242593 /nfs/dbraw/zinc/24/25/93/335242593.db2.gz QDQDFIRWHPWETL-OCCSQVGLSA-N 0 1 295.427 3.616 20 0 CHADMN Cc1ccc2nc(NC(=O)c3ccc(C)cc3C)[nH]c2c1 ZINC000576851915 335255988 /nfs/dbraw/zinc/25/59/88/335255988.db2.gz MILBWSJNXFDKPE-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN CN(Cc1cc(C(C)(C)C)on1)C1Cc2ccccc2C1 ZINC000577010581 335280668 /nfs/dbraw/zinc/28/06/68/335280668.db2.gz PHOZWISZHMPCRB-UHFFFAOYSA-N 0 1 284.403 3.571 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(C[N@@H+](CCCCC(=O)[O-])C2CC2)o1 ZINC000580574641 335287969 /nfs/dbraw/zinc/28/79/69/335287969.db2.gz FKXZWWGBBZRQRJ-SWLSCSKDSA-N 0 1 291.391 3.622 20 0 CHADMN CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000580652588 335312179 /nfs/dbraw/zinc/31/21/79/335312179.db2.gz JKZMQMCAYLKJJR-AWEZNQCLSA-N 0 1 293.382 3.925 20 0 CHADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000577184194 335318592 /nfs/dbraw/zinc/31/85/92/335318592.db2.gz LNYZCQSLDAAHNC-ZFWWWQNUSA-N 0 1 287.384 3.711 20 0 CHADMN COCC[C@@H](NCc1ccc2[nH]ccc2c1)c1ccc(C)o1 ZINC000577231919 335327714 /nfs/dbraw/zinc/32/77/14/335327714.db2.gz SWQXSJWYOPOMCU-QGZVFWFLSA-N 0 1 298.386 3.937 20 0 CHADMN CC(C)CSCCNCc1nc(-c2ccccc2)c[nH]1 ZINC000577347241 335341088 /nfs/dbraw/zinc/34/10/88/335341088.db2.gz JILOZLMLTIKWSX-UHFFFAOYSA-N 0 1 289.448 3.556 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000577589551 335374430 /nfs/dbraw/zinc/37/44/30/335374430.db2.gz PLWIZNRVXKVTSC-GJZGRUSLSA-N 0 1 269.429 3.780 20 0 CHADMN Cc1oc([C@@H](C)[N@@H+](C)CC2CCCCC2)cc1C(=O)[O-] ZINC000577760774 335398497 /nfs/dbraw/zinc/39/84/97/335398497.db2.gz QYSUDHVQACRMRA-LLVKDONJSA-N 0 1 279.380 3.859 20 0 CHADMN c1nc(CN2CCCCC2)sc1-c1ccccc1 ZINC000178789522 335450803 /nfs/dbraw/zinc/45/08/03/335450803.db2.gz NFWSZFPAHNQKPL-UHFFFAOYSA-N 0 1 258.390 3.796 20 0 CHADMN C[C@H](c1noc(-c2ccc3cncn3c2)n1)C(C)(C)C ZINC000350071304 335492187 /nfs/dbraw/zinc/49/21/87/335492187.db2.gz JWKFUCZPEMILDH-SNVBAGLBSA-N 0 1 270.336 3.534 20 0 CHADMN CO[C@@H](C)c1noc(CN[C@@H](CCC(C)C)C(C)(C)C)n1 ZINC000179909665 335531421 /nfs/dbraw/zinc/53/14/21/335531421.db2.gz XWTBUMBQFMOXPN-STQMWFEESA-N 0 1 297.443 3.718 20 0 CHADMN C[C@H]1CC/C(=C/c2nc(-c3ccn4cncc4c3)no2)C1 ZINC000351071154 335563338 /nfs/dbraw/zinc/56/33/38/335563338.db2.gz DARWFRRAXPWATH-ZWIPKHHJSA-N 0 1 280.331 3.588 20 0 CHADMN CCC(=Cc1nc(-c2ccn3cncc3c2)no1)CC ZINC000351116153 335569221 /nfs/dbraw/zinc/56/92/21/335569221.db2.gz ZHCOCTJYKRTBEF-UHFFFAOYSA-N 0 1 268.320 3.588 20 0 CHADMN Cc1nsc(C)c1CN[C@@H](c1ncccc1C)C(C)C ZINC000579579083 335810214 /nfs/dbraw/zinc/81/02/14/335810214.db2.gz DXMMUBCTGLSJLH-OAHLLOKOSA-N 0 1 289.448 3.950 20 0 CHADMN Fc1cc(CN2CCCCC2)ccc1OCC(F)(F)F ZINC000183399299 335892005 /nfs/dbraw/zinc/89/20/05/335892005.db2.gz GEWVNENGWIDVAC-UHFFFAOYSA-N 0 1 291.288 3.753 20 0 CHADMN Cc1csc([C@@H](C)NCCOc2ccccc2Cl)n1 ZINC000184270945 335922139 /nfs/dbraw/zinc/92/21/39/335922139.db2.gz NAJSBMHCKLNMFB-LLVKDONJSA-N 0 1 296.823 3.835 20 0 CHADMN Cc1cnc([C@H](NCCOc2ccccc2)C2CC2)s1 ZINC000185341321 335950923 /nfs/dbraw/zinc/95/09/23/335950923.db2.gz VIIGLUWFCSVKAV-OAHLLOKOSA-N 0 1 288.416 3.571 20 0 CHADMN CC[C@@H]1CC[C@@H]1N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000581217918 336026058 /nfs/dbraw/zinc/02/60/58/336026058.db2.gz NMNSQOIYMNEQKG-GYSYKLTISA-N 0 1 289.354 3.715 20 0 CHADMN CCCc1ccc(CSc2nnc(CC)[nH]2)cc1 ZINC000194776929 336038674 /nfs/dbraw/zinc/03/86/74/336038674.db2.gz HWRDXJUIGYHEBO-UHFFFAOYSA-N 0 1 261.394 3.612 20 0 CHADMN CCCc1ccc(CSc2nc(CC)n[nH]2)cc1 ZINC000194776929 336038676 /nfs/dbraw/zinc/03/86/76/336038676.db2.gz HWRDXJUIGYHEBO-UHFFFAOYSA-N 0 1 261.394 3.612 20 0 CHADMN CCC[N@@H+](CCCCCF)[C@@H](C)C(=O)Nc1ccccc1 ZINC000581301243 336042096 /nfs/dbraw/zinc/04/20/96/336042096.db2.gz NFOZIBLSRDRVLR-HNNXBMFYSA-N 0 1 294.414 3.865 20 0 CHADMN CCC1CCC(CN[C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000195025866 336042870 /nfs/dbraw/zinc/04/28/70/336042870.db2.gz VQONEMYFZFNMNA-DQPZFDDXSA-N 0 1 298.434 3.700 20 0 CHADMN COC(=O)c1sccc1CN1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000381126670 336050977 /nfs/dbraw/zinc/05/09/77/336050977.db2.gz MYQCPZQFYWMAOO-STQMWFEESA-N 0 1 293.432 3.545 20 0 CHADMN FCCN[C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000381494942 336066584 /nfs/dbraw/zinc/06/65/84/336066584.db2.gz LXLXBMALKFEHLS-GFCCVEGCSA-N 0 1 290.151 3.598 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)[C@H]1C ZINC000381527188 336067375 /nfs/dbraw/zinc/06/73/75/336067375.db2.gz OJSPILNCPHLUAV-QWRGUYRKSA-N 0 1 281.783 3.659 20 0 CHADMN CCC(CC)C[N@@H+](CC)[C@@H](C(=O)[O-])c1ccccc1F ZINC000581494109 336089411 /nfs/dbraw/zinc/08/94/11/336089411.db2.gz WOIUKFGJPYDYCJ-OAHLLOKOSA-N 0 1 281.371 3.710 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000581500311 336091018 /nfs/dbraw/zinc/09/10/18/336091018.db2.gz MZXZANDUJJRMII-KRWDZBQOSA-N 0 1 293.382 3.926 20 0 CHADMN CCc1cc(CN[C@@H]2C[C@H](C)c3ccccc32)on1 ZINC000581512186 336092142 /nfs/dbraw/zinc/09/21/42/336092142.db2.gz QRQFXMRKQYLCGG-MEDUHNTESA-N 0 1 256.349 3.575 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)[O-] ZINC000581547948 336100161 /nfs/dbraw/zinc/10/01/61/336100161.db2.gz HVVCSCPRXDGWBC-CJNGLKHVSA-N 0 1 289.419 3.527 20 0 CHADMN Cc1ccc([C@@H]2CCCCC[N@H+]2CCCCC(=O)[O-])o1 ZINC000581554222 336102002 /nfs/dbraw/zinc/10/20/02/336102002.db2.gz YPOWKNPMQXCMQY-AWEZNQCLSA-N 0 1 279.380 3.760 20 0 CHADMN C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000383051491 336103734 /nfs/dbraw/zinc/10/37/34/336103734.db2.gz KUFOWTYTLRLDEO-ZYHUDNBSSA-N 0 1 253.773 3.714 20 0 CHADMN C[C@@H]1CC[N@H+](Cc2cccc([O-])c2Cl)C[C@H]1C ZINC000383168460 336105375 /nfs/dbraw/zinc/10/53/75/336105375.db2.gz NFGSVBPAEQXXDT-GHMZBOCLSA-N 0 1 253.773 3.524 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc([O-])c2Cl)C[C@H]1C ZINC000383168460 336105377 /nfs/dbraw/zinc/10/53/77/336105377.db2.gz NFGSVBPAEQXXDT-GHMZBOCLSA-N 0 1 253.773 3.524 20 0 CHADMN COc1ccc2oc(CN3CCC(F)(F)[C@@H](C)C3)cc2c1 ZINC000581579936 336105518 /nfs/dbraw/zinc/10/55/18/336105518.db2.gz XZJKBSKHICVWHH-NSHDSACASA-N 0 1 295.329 3.919 20 0 CHADMN CC1(C)CCC(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)CC1 ZINC000383722152 336116933 /nfs/dbraw/zinc/11/69/33/336116933.db2.gz GNVBEFLQLKYAEZ-AWEZNQCLSA-N 0 1 281.440 3.780 20 0 CHADMN CC(C)SCCN[C@@H](C)c1c(F)cccc1F ZINC000383852636 336118443 /nfs/dbraw/zinc/11/84/43/336118443.db2.gz MLIPFSLLTKHCGC-JTQLQIEISA-N 0 1 259.365 3.757 20 0 CHADMN CC(C)SCCN[C@H](C)c1c(F)cccc1F ZINC000383852639 336118328 /nfs/dbraw/zinc/11/83/28/336118328.db2.gz MLIPFSLLTKHCGC-SNVBAGLBSA-N 0 1 259.365 3.757 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H](c2ccco2)c2ccccc2)[C@H](C)O1 ZINC000384859709 336132923 /nfs/dbraw/zinc/13/29/23/336132923.db2.gz GYAXDGQBDJDPHY-RPCCPQHDSA-N 0 1 271.360 3.525 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1c(F)cccc1Cl ZINC000384880603 336133609 /nfs/dbraw/zinc/13/36/09/336133609.db2.gz JURANAMNWCQCGX-QYTUQVAYSA-N 0 1 271.763 3.696 20 0 CHADMN CC/C=C/CNCc1sccc1Br ZINC000384948988 336134983 /nfs/dbraw/zinc/13/49/83/336134983.db2.gz VDNDVXVZRHPXFF-ONEGZZNKSA-N 0 1 260.200 3.566 20 0 CHADMN CC1(C)CC[C@@H]1NCc1ncc(-c2cccc(F)c2)o1 ZINC000581734317 336139951 /nfs/dbraw/zinc/13/99/51/336139951.db2.gz HLTJJHGVSUYNCS-AWEZNQCLSA-N 0 1 274.339 3.759 20 0 CHADMN C([C@@H]1CCC2(CCCC2)O1)N1CCOC2(CCCCC2)C1 ZINC000581896446 336162726 /nfs/dbraw/zinc/16/27/26/336162726.db2.gz CKDYCWCQFJIUOI-INIZCTEOSA-N 0 1 293.451 3.513 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000581949228 336174983 /nfs/dbraw/zinc/17/49/83/336174983.db2.gz UIEMVUAIEFSJDG-NEPJUHHUSA-N 0 1 279.355 3.534 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(CCc2ccccc2)no1 ZINC000386619549 336176728 /nfs/dbraw/zinc/17/67/28/336176728.db2.gz DBFSBZSHUMSMQC-AWEZNQCLSA-N 0 1 287.407 3.552 20 0 CHADMN CC(C)(C(=O)Nc1cccc(C2CCC2)c1)c1cnc[nH]1 ZINC000581979943 336183091 /nfs/dbraw/zinc/18/30/91/336183091.db2.gz RSFJAMPXMFQKGY-UHFFFAOYSA-N 0 1 283.375 3.594 20 0 CHADMN CC1CCC(OC2CCN(C/C=C/Cl)CC2)CC1 ZINC000363505538 520958617 /nfs/dbraw/zinc/95/86/17/520958617.db2.gz WGZMBVUSANNYFS-XNWCZRBMSA-N 0 1 271.832 3.799 20 0 CHADMN C[C@@H]1CCCN1Cc1cc(F)ccc1Br ZINC000353607594 533719951 /nfs/dbraw/zinc/71/99/51/533719951.db2.gz ANFCXLNSJLPBSX-SECBINFHSA-N 0 1 272.161 3.573 20 0 CHADMN CCS[C@@H]1CCC[C@H]1NCc1csc(Cl)n1 ZINC000295353417 521726635 /nfs/dbraw/zinc/72/66/35/521726635.db2.gz QZQZRUXLZCZLJB-NXEZZACHSA-N 0 1 276.858 3.560 20 0 CHADMN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2nccn2Cc2ccccc2)C1 ZINC000355078876 533818639 /nfs/dbraw/zinc/81/86/39/533818639.db2.gz BQKHVMJDXHGVRD-IXDOHACOSA-N 0 1 297.446 3.798 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccsc2C)n[nH]1 ZINC000339373230 522439549 /nfs/dbraw/zinc/43/95/49/522439549.db2.gz LHWUSTDSXDMLJP-NXEZZACHSA-N 0 1 278.425 3.539 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2ccccc2OC)s1 ZINC000037923828 522554591 /nfs/dbraw/zinc/55/45/91/522554591.db2.gz QBQRAHGCMMIIJV-NSHDSACASA-N 0 1 276.405 3.565 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(F)(F)F)C2(C)C)nc1 ZINC000336563021 533949188 /nfs/dbraw/zinc/94/91/88/533949188.db2.gz OEOQSHGVHRQWJQ-LBPRGKRZSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1ccc(CN2CC[C@H](C)[C@H]2c2cccc(F)c2)nn1 ZINC000334859650 533949635 /nfs/dbraw/zinc/94/96/35/533949635.db2.gz LRZUCIOXCJBGJH-SJCJKPOMSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1cc(N[C@@H]2CCC[C@]2(C)CO)c2cc(F)ccc2n1 ZINC000301687641 534002652 /nfs/dbraw/zinc/00/26/52/534002652.db2.gz VFMJXXJNDYCKJW-IAGOWNOFSA-N 0 1 288.366 3.645 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCCC2(CC2)C1 ZINC000352267783 534055785 /nfs/dbraw/zinc/05/57/85/534055785.db2.gz VPSPJNOMGPAYRQ-NSHDSACASA-N 0 1 251.320 3.902 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1CCCC[C@H]1C ZINC000332643623 534128863 /nfs/dbraw/zinc/12/88/63/534128863.db2.gz MASMQNJIYOJBLE-MFKMUULPSA-N 0 1 271.364 3.636 20 0 CHADMN C[C@@H]1OCC[C@@]1(C)NCc1csc(-c2ccsc2)n1 ZINC000344376240 534188405 /nfs/dbraw/zinc/18/84/05/534188405.db2.gz QKHHPTURNLQVJV-IINYFYTJSA-N 0 1 294.445 3.529 20 0 CHADMN C[C@H](C(=O)Nc1cc(Cl)c(O)cc1F)c1cccs1 ZINC000335957218 534296629 /nfs/dbraw/zinc/29/66/29/534296629.db2.gz GVLJXFVDHWZLCZ-ZETCQYMHSA-N 0 1 299.754 3.988 20 0 CHADMN CCc1ccc([C@H](CO)N[C@@H]2CCc3c2cccc3F)cc1 ZINC000540143179 517850034 /nfs/dbraw/zinc/85/00/34/517850034.db2.gz MUNKTIHOIGWMJB-MOPGFXCFSA-N 0 1 299.389 3.699 20 0 CHADMN Cc1cc(C)c2c(c1)[C@@H](NCc1cccnc1)CCCO2 ZINC000151098204 518186876 /nfs/dbraw/zinc/18/68/76/518186876.db2.gz YMWZTJAROOAOAO-KRWDZBQOSA-N 0 1 282.387 3.702 20 0 CHADMN CC(C)(C)C1CC(NCc2ncc(Cl)s2)C1 ZINC000339463224 518601373 /nfs/dbraw/zinc/60/13/73/518601373.db2.gz ACISBQDNMIMORR-UHFFFAOYSA-N 0 1 258.818 3.711 20 0 CHADMN CC(C)(C)c1n[nH]c(SCCOC2CCCCCC2)n1 ZINC000119208954 519126031 /nfs/dbraw/zinc/12/60/31/519126031.db2.gz RBJZYVGSHQWOJL-UHFFFAOYSA-N 0 1 297.468 3.934 20 0 CHADMN CC(C)(C)c1nc(SCCOC2CCCCCC2)n[nH]1 ZINC000119208954 519126038 /nfs/dbraw/zinc/12/60/38/519126038.db2.gz RBJZYVGSHQWOJL-UHFFFAOYSA-N 0 1 297.468 3.934 20 0 CHADMN CC(C)C[C@@H](N)c1noc(/C=C/c2ccccc2Cl)n1 ZINC000339394952 519229881 /nfs/dbraw/zinc/22/98/81/519229881.db2.gz RLMWEYVFTYDMDD-SBDDDAINSA-N 0 1 291.782 3.939 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H](C)OC2CCCCCC2)n1 ZINC000339365510 519235921 /nfs/dbraw/zinc/23/59/21/519235921.db2.gz WHININLHOWXKEF-TZMCWYRMSA-N 0 1 295.427 3.916 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2ccccc2C(F)(F)F)n1 ZINC000339388942 519371557 /nfs/dbraw/zinc/37/15/57/519371557.db2.gz LWNIGRRKKQWLPT-NSHDSACASA-N 0 1 299.296 3.801 20 0 CHADMN CC(C)CC1(C(=O)Nc2cccc(-c3nnc[nH]3)c2)CCC1 ZINC000120412701 519624853 /nfs/dbraw/zinc/62/48/53/519624853.db2.gz AUADACYDUNNHES-UHFFFAOYSA-N 0 1 298.390 3.627 20 0 CHADMN CC(C)CCC[C@@H](C)[N@@H+](CCC(C)C)CC(=O)[O-] ZINC000236702213 519643334 /nfs/dbraw/zinc/64/33/34/519643334.db2.gz WLOKXENRBWEFKD-CQSZACIVSA-N 0 1 257.418 3.634 20 0 CHADMN CC(C)CCN(C)Cc1coc(-c2cccc(F)c2)n1 ZINC000052246069 519650920 /nfs/dbraw/zinc/65/09/20/519650920.db2.gz LVVIUGNQGCJYPS-UHFFFAOYSA-N 0 1 276.355 3.959 20 0 CHADMN CC(C)CCN1Cc2cccc(NC(=O)CC3CC3)c2C1 ZINC000263967692 519654346 /nfs/dbraw/zinc/65/43/46/519654346.db2.gz WAIDXEPYNJBIEE-UHFFFAOYSA-N 0 1 286.419 3.787 20 0 CHADMN CC(C)N(Cc1ncnn1-c1ccccc1)C1CCCCC1 ZINC000337148560 519664177 /nfs/dbraw/zinc/66/41/77/519664177.db2.gz HECGOTSDJFPNMW-UHFFFAOYSA-N 0 1 298.434 3.810 20 0 CHADMN CC(C)CCOc1ccccc1CNCc1cc[nH]c1 ZINC000086252437 519675606 /nfs/dbraw/zinc/67/56/06/519675606.db2.gz OSOZHOWVWDYFFX-UHFFFAOYSA-N 0 1 272.392 3.729 20 0 CHADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1Cl ZINC000062742771 519712050 /nfs/dbraw/zinc/71/20/50/519712050.db2.gz YDFJQVKLZYSIPZ-UHFFFAOYSA-N 0 1 290.190 3.536 20 0 CHADMN CC(C)C[C@@H](C)C[N@@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000337215159 519771560 /nfs/dbraw/zinc/77/15/60/519771560.db2.gz YBZUMSVSQSDGKL-LLVKDONJSA-N 0 1 293.436 3.511 20 0 CHADMN CC(C)O[C@H](CN1CCC[C@@H]1c1cc[nH]n1)c1ccccc1 ZINC000292881893 519777270 /nfs/dbraw/zinc/77/72/70/519777270.db2.gz PSAVNXXKPWASDA-QZTJIDSGSA-N 0 1 299.418 3.713 20 0 CHADMN CC(C)Oc1ccc([C@H](C)NCc2ccco2)cc1 ZINC000021967232 519781747 /nfs/dbraw/zinc/78/17/47/519781747.db2.gz RFUDMCKUHBSDNV-ZDUSSCGKSA-N 0 1 259.349 3.918 20 0 CHADMN Cc1ccoc1CN[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000344521097 534449064 /nfs/dbraw/zinc/44/90/64/534449064.db2.gz VAAVQOIOISGVHX-CQSZACIVSA-N 0 1 281.359 3.625 20 0 CHADMN CC(C)[C@@H]1N(C(=O)c2ccc(O)c(Cl)c2)CC12CCC2 ZINC000293659732 519806452 /nfs/dbraw/zinc/80/64/52/519806452.db2.gz MOWZGXLOFIFNAQ-AWEZNQCLSA-N 0 1 293.794 3.696 20 0 CHADMN CC(C)[C@H](NCc1cc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000066992358 519821024 /nfs/dbraw/zinc/82/10/24/519821024.db2.gz CINQSFORSMQBMG-AWEZNQCLSA-N 0 1 297.324 3.915 20 0 CHADMN CC(C)c1ccc(-c2nc(C3(N)CCCCC3)no2)cc1 ZINC000041153352 519833845 /nfs/dbraw/zinc/83/38/45/519833845.db2.gz BPTWIJLRWNHRSM-UHFFFAOYSA-N 0 1 285.391 3.978 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccc(F)cn1)[C@@H](C)C2 ZINC000336175407 534450621 /nfs/dbraw/zinc/45/06/21/534450621.db2.gz URPABAQIBWOSSS-YVEFUNNKSA-N 0 1 270.351 3.552 20 0 CHADMN CC(C)c1ccc([C@@H](C)NC(=O)[C@H](N)c2ccccc2)cc1 ZINC000236693346 519839188 /nfs/dbraw/zinc/83/91/88/519839188.db2.gz PWPIKEYABMQFQS-RDTXWAMCSA-N 0 1 296.414 3.687 20 0 CHADMN CC(C)c1nc(CN2CCC[C@H]2C2CC2)cs1 ZINC000363384455 519862819 /nfs/dbraw/zinc/86/28/19/519862819.db2.gz KQTYZWBFOWQCBM-ZDUSSCGKSA-N 0 1 250.411 3.641 20 0 CHADMN CC(C)c1nc(CNC(C)(C)c2cccc(Cl)c2)n[nH]1 ZINC000293237319 519863638 /nfs/dbraw/zinc/86/36/38/519863638.db2.gz QSODURHGKKVLFW-UHFFFAOYSA-N 0 1 292.814 3.606 20 0 CHADMN CC(C)c1nc(CN[C@H](C)c2c(F)cccc2Cl)n[nH]1 ZINC000293302028 519864212 /nfs/dbraw/zinc/86/42/12/519864212.db2.gz VBWWKUBIPXIBIR-SECBINFHSA-N 0 1 296.777 3.571 20 0 CHADMN CC(C)c1nnc(CN[C@H](c2ccccc2)C2CCCC2)[nH]1 ZINC000293323807 519864275 /nfs/dbraw/zinc/86/42/75/519864275.db2.gz WHYHPJDMWZDTDU-QGZVFWFLSA-N 0 1 298.434 3.949 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H]2C[C@@H](C)c3ccccc32)n[nH]1 ZINC000290286555 519867550 /nfs/dbraw/zinc/86/75/50/519867550.db2.gz MMSJIHAUDQNJDF-TYNCELHUSA-N 0 1 284.407 3.827 20 0 CHADMN CC(C)c1nnc(CN(C2CC2)C2CCC(C)CC2)o1 ZINC000339290289 519886173 /nfs/dbraw/zinc/88/61/73/519886173.db2.gz LOVGUJIJVDBYIG-UHFFFAOYSA-N 0 1 277.412 3.736 20 0 CHADMN CCOCCCNc1cc(C)nc2ccc(F)cc21 ZINC000119753266 519898370 /nfs/dbraw/zinc/89/83/70/519898370.db2.gz ATBHQBLEFNIVGU-UHFFFAOYSA-N 0 1 262.328 3.521 20 0 CHADMN CC(C)n1nccc1CN1CCC[C@H](Nc2ccccc2)C1 ZINC000280205275 520101552 /nfs/dbraw/zinc/10/15/52/520101552.db2.gz ITSKRPPMQPPVRB-KRWDZBQOSA-N 0 1 298.434 3.541 20 0 CHADMN CC(C)n1nccc1CN1CCC[C@@H]1c1ccsc1 ZINC000279624554 520102120 /nfs/dbraw/zinc/10/21/20/520102120.db2.gz KHVCNMJEDUVRNO-OAHLLOKOSA-N 0 1 275.421 3.863 20 0 CHADMN CCCCCOc1ccc(CNCc2c[nH]nc2C)cc1 ZINC000037989202 520252128 /nfs/dbraw/zinc/25/21/28/520252128.db2.gz FJAXMDDBQPECTL-UHFFFAOYSA-N 0 1 287.407 3.577 20 0 CHADMN CCCCC[C@@H](NCc1ncc[nH]1)c1ccccc1 ZINC000066593846 520295071 /nfs/dbraw/zinc/29/50/71/520295071.db2.gz PECRXHDYXRXQSZ-OAHLLOKOSA-N 0 1 257.381 3.821 20 0 CHADMN CCO[C@@H]1CCCN(c2cc(C)nc3ccc(F)cc32)C1 ZINC000122175485 520322276 /nfs/dbraw/zinc/32/22/76/520322276.db2.gz BKURCMJAWUHUFV-CQSZACIVSA-N 0 1 288.366 3.688 20 0 CHADMN CCCOc1cccc(-c2nc([C@H](N)CC(C)C)no2)c1 ZINC000339389371 520439228 /nfs/dbraw/zinc/43/92/28/520439228.db2.gz PCVFHDWXINUOQJ-CQSZACIVSA-N 0 1 289.379 3.571 20 0 CHADMN CC1(C)C[C@H]1NCc1csc(Cl)c1Cl ZINC000307627798 520570795 /nfs/dbraw/zinc/57/07/95/520570795.db2.gz VUXXUUTVQIJIMA-SSDOTTSWSA-N 0 1 250.194 3.943 20 0 CHADMN Fc1ccc2nc(CN3CCCC4(CCC4)C3)oc2c1 ZINC000348175119 534508941 /nfs/dbraw/zinc/50/89/41/534508941.db2.gz DEBLDVKPABFEAW-UHFFFAOYSA-N 0 1 274.339 3.733 20 0 CHADMN CC1(CC(=O)Nc2ccccc2-c2nnc[nH]2)CCCCC1 ZINC000271673977 520697457 /nfs/dbraw/zinc/69/74/57/520697457.db2.gz PHPILNGIGGUMDF-UHFFFAOYSA-N 0 1 298.390 3.771 20 0 CHADMN Fc1cccc(Cl)c1CN1CCC[C@]2(CCCOC2)C1 ZINC000353754838 534521806 /nfs/dbraw/zinc/52/18/06/534521806.db2.gz QOEVHZSEFLEDTN-INIZCTEOSA-N 0 1 297.801 3.872 20 0 CHADMN c1nc(CN2CCC[C@H](c3ccccc3)C2)cs1 ZINC000353644938 534526090 /nfs/dbraw/zinc/52/60/90/534526090.db2.gz OBEWEKRPQDQMCX-AWEZNQCLSA-N 0 1 258.390 3.523 20 0 CHADMN Cc1nc(SCCC[C@H](C)O)[nH]c1-c1ccccc1 ZINC000355945523 534531050 /nfs/dbraw/zinc/53/10/50/534531050.db2.gz HDVDFATZORIISI-NSHDSACASA-N 0 1 276.405 3.638 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccc(Cl)cn2)cc1 ZINC000274748553 521007821 /nfs/dbraw/zinc/00/78/21/521007821.db2.gz BFTXRAUGTNSAKM-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN CCC(=O)CCN1CCC(=Cc2cccc(OC)c2)CC1 ZINC000276865575 521076427 /nfs/dbraw/zinc/07/64/27/521076427.db2.gz KZWUAKIDRCWDKS-UHFFFAOYSA-N 0 1 287.403 3.544 20 0 CHADMN CCCC[C@H](C)N(C)C(=O)c1cccc2[nH]c(C)nc21 ZINC000291940093 521142734 /nfs/dbraw/zinc/14/27/34/521142734.db2.gz DCKSOZJBQCWZTP-NSHDSACASA-N 0 1 273.380 3.522 20 0 CHADMN CCC[C@H](N[C@H](C)c1cscn1)[C@H](O)c1ccccc1 ZINC000280036660 521174505 /nfs/dbraw/zinc/17/45/05/521174505.db2.gz ILQKJPKXRUQEJC-IVMMDQJWSA-N 0 1 290.432 3.696 20 0 CHADMN CCN(Cc1cc2cnn(C(C)C)c2nc1Cl)C(C)C ZINC000126349691 521295275 /nfs/dbraw/zinc/29/52/75/521295275.db2.gz YFJFVWJIEDTHDL-UHFFFAOYSA-N 0 1 294.830 3.896 20 0 CHADMN CCN(Cc1ccc(F)cn1)[C@H](C)c1cccc(O)c1 ZINC000276241835 521315617 /nfs/dbraw/zinc/31/56/17/521315617.db2.gz OMQDBZCWUSAWGE-GFCCVEGCSA-N 0 1 274.339 3.509 20 0 CHADMN CCN(Cc1ccc(F)cn1)[C@@H](C)c1cccc(OC)c1 ZINC000276370352 521315929 /nfs/dbraw/zinc/31/59/29/521315929.db2.gz OFXBAZSOUYIPFY-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN CCOc1cccc(CN(Cc2cccnc2)C2CC2)c1 ZINC000290368593 521334381 /nfs/dbraw/zinc/33/43/81/521334381.db2.gz HIJUTAXNUVXNTI-UHFFFAOYSA-N 0 1 282.387 3.645 20 0 CHADMN CCC(C)(C)[C@H]1CCCN1Cc1ncnn1-c1ccccc1 ZINC000337186446 521366412 /nfs/dbraw/zinc/36/64/12/521366412.db2.gz PIQNWFRNDDKBDY-MRXNPFEDSA-N 0 1 298.434 3.668 20 0 CHADMN CCOc1cccc(CNCc2cccc(F)c2F)c1 ZINC000037679833 521367060 /nfs/dbraw/zinc/36/70/60/521367060.db2.gz ACLFTQNJUQGJEZ-UHFFFAOYSA-N 0 1 277.314 3.653 20 0 CHADMN CCOc1cccc(CNCc2ccccc2OCC)c1 ZINC000037505694 521367521 /nfs/dbraw/zinc/36/75/21/521367521.db2.gz ADWHBWKALAVFKX-UHFFFAOYSA-N 0 1 285.387 3.774 20 0 CHADMN CCOc1cccc(CNCc2cc(F)c(F)c(F)c2)c1 ZINC000062707806 521369124 /nfs/dbraw/zinc/36/91/24/521369124.db2.gz BVSSYBBOPSPYRU-UHFFFAOYSA-N 0 1 295.304 3.792 20 0 CHADMN CCCc1cccc(CNCc2oc(CC)nc2C)c1 ZINC000291639990 521429712 /nfs/dbraw/zinc/42/97/12/521429712.db2.gz BKKTVIOIQVXGRI-UHFFFAOYSA-N 0 1 272.392 3.788 20 0 CHADMN CCOc1ccccc1CN1CCC[C@@H]1c1ccncc1 ZINC000271039581 521482762 /nfs/dbraw/zinc/48/27/62/521482762.db2.gz SSIALGMGRHNQGQ-QGZVFWFLSA-N 0 1 282.387 3.817 20 0 CHADMN CCOc1ncccc1CN[C@H](C)c1ccc(C)cc1 ZINC000151217497 521621415 /nfs/dbraw/zinc/62/14/15/521621415.db2.gz RFJQJEYCYINFFN-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN CCCN(Cc1cc(C)ncn1)[C@@H](C)c1ccccc1OC ZINC000292135904 521681041 /nfs/dbraw/zinc/68/10/41/521681041.db2.gz HJRVJBXIRGSCJS-HNNXBMFYSA-N 0 1 299.418 3.767 20 0 CHADMN CCSCCN1CCc2c(F)cc(F)cc2[C@H]1C ZINC000340868645 521707433 /nfs/dbraw/zinc/70/74/33/521707433.db2.gz JWLLWVBCTCCQSJ-SNVBAGLBSA-N 0 1 271.376 3.637 20 0 CHADMN CCSc1cc(CN[C@H](C)c2cnccc2C)ccn1 ZINC000275120549 521734419 /nfs/dbraw/zinc/73/44/19/521734419.db2.gz KNMDHTRXISCZHU-CYBMUJFWSA-N 0 1 287.432 3.748 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1Cc1ncnn1-c1ccccc1 ZINC000337197157 521892568 /nfs/dbraw/zinc/89/25/68/521892568.db2.gz WVAVLPSHRVPQTB-RDJZCZTQSA-N 0 1 298.434 3.668 20 0 CHADMN COCC[C@H](N[C@@H]1CCCc2occc21)c1ccc(C)o1 ZINC000278397523 521978124 /nfs/dbraw/zinc/97/81/24/521978124.db2.gz FHBVLAQYESHORQ-CABCVRRESA-N 0 1 289.375 3.926 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2ccc(F)cc2)n[nH]1 ZINC000277345209 522051128 /nfs/dbraw/zinc/05/11/28/522051128.db2.gz VHCNYLOVOZWOBI-SDDRHHMPSA-N 0 1 290.386 3.869 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2ccc(Cl)s2)n[nH]1 ZINC000277503900 522051278 /nfs/dbraw/zinc/05/12/78/522051278.db2.gz VRLKESMPDCNZCJ-IUCAKERBSA-N 0 1 298.843 3.884 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2cccc3cc[nH]c32)n[nH]1 ZINC000277471900 522052073 /nfs/dbraw/zinc/05/20/73/522052073.db2.gz RNJLSXYJEVEVMM-NWDGAFQWSA-N 0 1 297.406 3.650 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2ccc(F)cc2)n[nH]1 ZINC000277345211 522056033 /nfs/dbraw/zinc/05/60/33/522056033.db2.gz VHCNYLOVOZWOBI-SRVKXCTJSA-N 0 1 290.386 3.869 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2sccc2C)n[nH]1 ZINC000277140285 522057132 /nfs/dbraw/zinc/05/71/32/522057132.db2.gz DPKMATZHQHPWOC-ONGXEEELSA-N 0 1 278.425 3.539 20 0 CHADMN CC[C@H](CN[C@H](C)c1cc(C)on1)Oc1cccc(C)c1 ZINC000290791345 522201429 /nfs/dbraw/zinc/20/14/29/522201429.db2.gz UQFXWLNOLRSLEL-HUUCEWRRSA-N 0 1 288.391 3.800 20 0 CHADMN COc1cc(C)c([C@@H](C)NCc2occc2C)cc1OC ZINC000266200394 522227286 /nfs/dbraw/zinc/22/72/86/522227286.db2.gz LANMRHLSFNKXOK-CYBMUJFWSA-N 0 1 289.375 3.764 20 0 CHADMN COc1cc(CN(Cc2ccco2)C2CCCC2)ccn1 ZINC000339867406 522363321 /nfs/dbraw/zinc/36/33/21/522363321.db2.gz QTCMJVAENGQGCB-UHFFFAOYSA-N 0 1 286.375 3.628 20 0 CHADMN COC[C@@H](NCc1cnccc1C)c1ccc(Cl)cc1 ZINC000278884621 522367605 /nfs/dbraw/zinc/36/76/05/522367605.db2.gz PQCUZCSXCQGDEG-MRXNPFEDSA-N 0 1 290.794 3.521 20 0 CHADMN COC[C@@H](N[C@@H](C)c1cccnc1)c1cccc(Cl)c1 ZINC000290504822 522375017 /nfs/dbraw/zinc/37/50/17/522375017.db2.gz YHPQKATWFIDIOV-BLLLJJGKSA-N 0 1 290.794 3.773 20 0 CHADMN COC(=O)c1coc([C@H](C)N[C@H](c2ccccc2)C2CC2)c1 ZINC000278336833 522379095 /nfs/dbraw/zinc/37/90/95/522379095.db2.gz XCNHYLQTXYYCMC-YVEFUNNKSA-N 0 1 299.370 3.868 20 0 CHADMN COC(=O)c1occc1CN1CCC[C@H]1c1ccccc1C ZINC000339210914 522411060 /nfs/dbraw/zinc/41/10/60/522411060.db2.gz USFSMDJFOGVPGP-INIZCTEOSA-N 0 1 299.370 3.712 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccc(Cl)cc2)n[nH]1 ZINC000277438251 522439876 /nfs/dbraw/zinc/43/98/76/522439876.db2.gz ODNQNVGNRVAPFV-GHMZBOCLSA-N 0 1 292.814 3.822 20 0 CHADMN COc1cc(CNCc2ccc3c(n2)CCCC3)ccc1C ZINC000278619142 522464965 /nfs/dbraw/zinc/46/49/65/522464965.db2.gz FMYWKULOYNIIJR-UHFFFAOYSA-N 0 1 296.414 3.567 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccc(Cl)cn2)ccc1C ZINC000274953146 522473029 /nfs/dbraw/zinc/47/30/29/522473029.db2.gz VKLMNVGWUXVGFU-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN COc1cc(CN[C@@H](C)c2cccc(Cl)c2)ccn1 ZINC000062057798 522473141 /nfs/dbraw/zinc/47/31/41/522473141.db2.gz MFXURYOSAUREQQ-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN Cc1cnc([C@H](C)N2CC[C@](C)(c3ccccc3)C2)o1 ZINC000336484756 534646051 /nfs/dbraw/zinc/64/60/51/534646051.db2.gz CCJCLOOPTFSXDT-YOEHRIQHSA-N 0 1 270.376 3.708 20 0 CHADMN CC[C@H](NC[C@@H](O)c1ccc(C)o1)c1ccc(F)cc1F ZINC000269079546 522613758 /nfs/dbraw/zinc/61/37/58/522613758.db2.gz ZCVCUXNXGNJUIU-LSDHHAIUSA-N 0 1 295.329 3.641 20 0 CHADMN CC[C@H](NCc1n[nH]c(C(C)C)n1)c1ccc(Cl)s1 ZINC000293025670 522666247 /nfs/dbraw/zinc/66/62/47/522666247.db2.gz CSRBVEAWQYIVKE-VIFPVBQESA-N 0 1 298.843 3.884 20 0 CHADMN CC[C@H](NCc1ncc(C)c(OC)c1C)c1ccccc1 ZINC000051628166 522669233 /nfs/dbraw/zinc/66/92/33/522669233.db2.gz LZCSOLLRFGDPIQ-INIZCTEOSA-N 0 1 284.403 3.948 20 0 CHADMN COC[C@H](NC/C(C)=C/c1ccccc1)c1ccco1 ZINC000192691429 522730133 /nfs/dbraw/zinc/73/01/33/522730133.db2.gz ZIDVTHVWKBNQPQ-UKYUDJEDSA-N 0 1 271.360 3.660 20 0 CHADMN CCc1nnc(CN[C@H](C)CCc2ccc(C)cc2)s1 ZINC000290082108 522745996 /nfs/dbraw/zinc/74/59/96/522745996.db2.gz GUXVFCQOZOLLKU-CYBMUJFWSA-N 0 1 289.448 3.520 20 0 CHADMN CC[C@H](N[C@H]1CCCc2c[nH]nc21)c1cccc(F)c1 ZINC000275861243 522753616 /nfs/dbraw/zinc/75/36/16/522753616.db2.gz MTEPGMQMLMOYGP-GJZGRUSLSA-N 0 1 273.355 3.667 20 0 CHADMN COC[C@H](N[C@@H](C)c1ccncc1)c1cccc(Cl)c1 ZINC000290508403 522761933 /nfs/dbraw/zinc/76/19/33/522761933.db2.gz YLXMHXOGGPLCHF-LRDDRELGSA-N 0 1 290.794 3.773 20 0 CHADMN CCc1noc(C)c1CNC(C)(C)c1ccccc1C ZINC000292983003 522842056 /nfs/dbraw/zinc/84/20/56/522842056.db2.gz NGARYOHHOONKDY-UHFFFAOYSA-N 0 1 272.392 3.879 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1CCCOc2ccccc21 ZINC000293621149 522844778 /nfs/dbraw/zinc/84/47/78/522844778.db2.gz FUKRVRYBCUKZOO-MRXNPFEDSA-N 0 1 286.375 3.549 20 0 CHADMN CC[C@@H](NCc1n[nH]c(C(C)C)n1)c1ccc(Cl)s1 ZINC000293025664 522891904 /nfs/dbraw/zinc/89/19/04/522891904.db2.gz CSRBVEAWQYIVKE-SECBINFHSA-N 0 1 298.843 3.884 20 0 CHADMN CC[C@@H](NCc1occc1C)c1ccc2c(c1)OCCO2 ZINC000266232879 522899542 /nfs/dbraw/zinc/89/95/42/522899542.db2.gz UZXBQWYOGACPAQ-CQSZACIVSA-N 0 1 287.359 3.600 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nnc2ccccn21)c1ccccc1 ZINC000036969133 522917013 /nfs/dbraw/zinc/91/70/13/522917013.db2.gz MITVVBROHFVOEG-DZGCQCFKSA-N 0 1 280.375 3.531 20 0 CHADMN CCc1nocc1CNCc1ccc(C2CCC2)cc1 ZINC000339371246 522950379 /nfs/dbraw/zinc/95/03/79/522950379.db2.gz FKTCKJAOUSICQQ-UHFFFAOYSA-N 0 1 270.376 3.794 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1sccc1OC ZINC000290553744 522970729 /nfs/dbraw/zinc/97/07/29/522970729.db2.gz RYJKKQIDCZVVBY-CYBMUJFWSA-N 0 1 276.405 3.735 20 0 CHADMN CN(CCc1cccs1)Cc1cnc(Cl)s1 ZINC000086777013 522973467 /nfs/dbraw/zinc/97/34/67/522973467.db2.gz PKGHFQYELBCLCB-UHFFFAOYSA-N 0 1 272.826 3.533 20 0 CHADMN COCc1ccc(CNC(C)(C)c2ccccc2F)cc1 ZINC000291745132 522984045 /nfs/dbraw/zinc/98/40/45/522984045.db2.gz PKKOWCJBBLQADR-UHFFFAOYSA-N 0 1 287.378 3.997 20 0 CHADMN COCc1ccc(CNCc2ccc([C@H]3C[C@H]3C)o2)cc1 ZINC000078543872 522988230 /nfs/dbraw/zinc/98/82/30/522988230.db2.gz MLATXROJZUDLQR-DYVFJYSZSA-N 0 1 285.387 3.839 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2cc(C)cc(C)c2)o1 ZINC000127587830 522990297 /nfs/dbraw/zinc/99/02/97/522990297.db2.gz WMBWRPSZTBCNLR-AWEZNQCLSA-N 0 1 273.376 3.894 20 0 CHADMN COCc1cccc(CN[C@@H](C)c2ccc(C)o2)c1 ZINC000038010454 523055561 /nfs/dbraw/zinc/05/55/61/523055561.db2.gz ARNDIRZGKAPTGZ-ZDUSSCGKSA-N 0 1 259.349 3.585 20 0 CHADMN COCc1cccc(CN[C@H](C)c2ccc(C)o2)c1 ZINC000038010453 523055936 /nfs/dbraw/zinc/05/59/36/523055936.db2.gz ARNDIRZGKAPTGZ-CYBMUJFWSA-N 0 1 259.349 3.585 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000280107177 523185919 /nfs/dbraw/zinc/18/59/19/523185919.db2.gz ANEDTTXMGBNLJK-ZJUUUORDSA-N 0 1 285.338 3.811 20 0 CHADMN CN(Cc1ccccn1)[C@H]1CCCc2ccc(F)cc21 ZINC000275770456 523400057 /nfs/dbraw/zinc/40/00/57/523400057.db2.gz YUHUZPOOTXETNE-KRWDZBQOSA-N 0 1 270.351 3.730 20 0 CHADMN CN(Cc1ncc(-c2ccccc2)o1)CC1CCC1 ZINC000111299473 523574449 /nfs/dbraw/zinc/57/44/49/523574449.db2.gz YQLAHGYCLDMQRD-UHFFFAOYSA-N 0 1 256.349 3.574 20 0 CHADMN CCn1nc(CNCc2ccc(C)cc2)c2ccccc21 ZINC000089174012 523678021 /nfs/dbraw/zinc/67/80/21/523678021.db2.gz VNGMEPUTWZBDPR-UHFFFAOYSA-N 0 1 279.387 3.654 20 0 CHADMN CCn1nc(CN[C@H](C)c2cccs2)c2ccccc21 ZINC000089174117 523678136 /nfs/dbraw/zinc/67/81/36/523678136.db2.gz ZEKWKVYHAYXRGG-GFCCVEGCSA-N 0 1 285.416 3.969 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2nc(C)c(C)s2)C1 ZINC000357729663 523709933 /nfs/dbraw/zinc/70/99/33/523709933.db2.gz KOECNHJYEBEPDX-AWEZNQCLSA-N 0 1 252.427 3.772 20 0 CHADMN CCc1ccc(CN2CCC=C(c3ccncc3)C2)o1 ZINC000289545366 523926395 /nfs/dbraw/zinc/92/63/95/523926395.db2.gz IHKYUJWWUOHASP-UHFFFAOYSA-N 0 1 268.360 3.526 20 0 CHADMN CCc1ccc(CNCc2cc(F)ccc2F)s1 ZINC000069681875 523943191 /nfs/dbraw/zinc/94/31/91/523943191.db2.gz VPKFLMGXWGZKNI-UHFFFAOYSA-N 0 1 267.344 3.879 20 0 CHADMN CCc1ccc(CNCc2c(OC)cccc2OC)s1 ZINC000285630453 523943299 /nfs/dbraw/zinc/94/32/99/523943299.db2.gz ZZLFKDUDNJIQMC-UHFFFAOYSA-N 0 1 291.416 3.618 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2cccnc2)cc1C ZINC000264041173 524010231 /nfs/dbraw/zinc/01/02/31/524010231.db2.gz DSYCAWHHKUEBTE-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN COc1ccc(CNC(C)(C)c2ccccc2F)cc1O ZINC000291765044 524068700 /nfs/dbraw/zinc/06/87/00/524068700.db2.gz RZZYJVWSPGLGEQ-UHFFFAOYSA-N 0 1 289.350 3.565 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccsc2)cc1F ZINC000061360553 524089984 /nfs/dbraw/zinc/08/99/84/524089984.db2.gz WDDSKRWUSACRBC-SNVBAGLBSA-N 0 1 265.353 3.747 20 0 CHADMN COc1ccc(CN[C@H](C)c2cccnc2)cc1Cl ZINC000086583783 524090201 /nfs/dbraw/zinc/09/02/01/524090201.db2.gz FUAFIWAXTQWQBS-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000055391277 524129740 /nfs/dbraw/zinc/12/97/40/524129740.db2.gz LRJOMRCKFXBORV-MFKMUULPSA-N 0 1 281.783 3.696 20 0 CHADMN COc1ccccc1-c1nc(CN(C)C2CCC2)cs1 ZINC000072721894 524278979 /nfs/dbraw/zinc/27/89/79/524278979.db2.gz WMLTYJYJWSIKLD-UHFFFAOYSA-N 0 1 288.416 3.803 20 0 CHADMN C[C@H]1CCN(Cc2cc(-c3ccccc3)on2)CCS1 ZINC000286141008 524291987 /nfs/dbraw/zinc/29/19/87/524291987.db2.gz NDEIQEJXYBJLHD-ZDUSSCGKSA-N 0 1 288.416 3.669 20 0 CHADMN COc1ccc(F)cc1[C@H](C)N[C@@H](C)c1ccncc1 ZINC000037089903 524332937 /nfs/dbraw/zinc/33/29/37/524332937.db2.gz PYMULOJJAANQDF-RYUDHWBXSA-N 0 1 274.339 3.641 20 0 CHADMN Cc1ccc(CNC2(c3ccc(Cl)cc3)CC2)cn1 ZINC000155890820 524569565 /nfs/dbraw/zinc/56/95/65/524569565.db2.gz JVKJFMRVUZSENQ-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN Cc1ccc(CN[C@@H]2CCSc3ccc(F)cc32)nc1 ZINC000161728745 524600063 /nfs/dbraw/zinc/60/00/63/524600063.db2.gz OEALAEGFOHCQNJ-OAHLLOKOSA-N 0 1 288.391 3.856 20 0 CHADMN Cc1ccc(CN[C@H]2CCCOc3ccccc32)o1 ZINC000155494684 524610672 /nfs/dbraw/zinc/61/06/72/524610672.db2.gz QUTUXEJQLSAFEX-HNNXBMFYSA-N 0 1 257.333 3.592 20 0 CHADMN Cc1ccc(C[C@@H](C)N(C)Cc2ncc(C3CC3)o2)cc1 ZINC000340841875 524659566 /nfs/dbraw/zinc/65/95/66/524659566.db2.gz QIYFBTSFANYVBW-CQSZACIVSA-N 0 1 284.403 3.923 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@H]2c2cccc(F)c2)ncn1 ZINC000292372400 524716401 /nfs/dbraw/zinc/71/64/01/524716401.db2.gz GQLCQDXUTVIAJM-PXAZEXFGSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1cccc(OCCCN[C@H](C)c2nccs2)c1C ZINC000279394138 524735447 /nfs/dbraw/zinc/73/54/47/524735447.db2.gz CINZOCGDRSGTOG-CQSZACIVSA-N 0 1 290.432 3.880 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(C3CC3)c2)nc(C)n1 ZINC000340381905 524776470 /nfs/dbraw/zinc/77/64/70/524776470.db2.gz HNUBZPVCWUFSKF-CYBMUJFWSA-N 0 1 281.403 3.822 20 0 CHADMN Cc1cc(CN[C@H]2CC(C)(C)CCc3ccccc32)ncn1 ZINC000280886531 524779899 /nfs/dbraw/zinc/77/98/99/524779899.db2.gz PSBACSQLFAPWSG-SFHVURJKSA-N 0 1 295.430 3.978 20 0 CHADMN Cc1cc(CN[C@H]2CC[C@H](C)c3ccccc32)on1 ZINC000125636473 524782042 /nfs/dbraw/zinc/78/20/42/524782042.db2.gz YBPDUWPZOSMEFU-ZBEGNZNMSA-N 0 1 256.349 3.711 20 0 CHADMN COc1ccnc(CN(C)[C@@H](C)c2ccccc2C)c1 ZINC000264427606 524827068 /nfs/dbraw/zinc/82/70/68/524827068.db2.gz NGWWBTTVCNLXRD-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN COc1ccc(OC)c(CN[C@H](C)c2ccsc2)c1 ZINC000061360828 524838736 /nfs/dbraw/zinc/83/87/36/524838736.db2.gz ZBXOQLCBXYNZMJ-LLVKDONJSA-N 0 1 277.389 3.616 20 0 CHADMN COc1ccc(OC)c(CN[C@@H](C)c2cccc(F)c2)c1 ZINC000020148000 524839453 /nfs/dbraw/zinc/83/94/53/524839453.db2.gz RLZJXTQSEHKRSP-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN COc1ccncc1CN[C@@H](C)c1cc(C)ccc1C ZINC000340402355 524856491 /nfs/dbraw/zinc/85/64/91/524856491.db2.gz DRMCPZZACUKARD-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1cc(Cl)cc(CN[C@H](CO)c2ccsc2)c1 ZINC000339353524 524873515 /nfs/dbraw/zinc/87/35/15/524873515.db2.gz HZWUYJCRMNOOLQ-CQSZACIVSA-N 0 1 281.808 3.533 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNCCC(=O)Nc2ccccc2)o1 ZINC000237658930 524970505 /nfs/dbraw/zinc/97/05/05/524970505.db2.gz QYCXKYCGRLRQSO-XJKSGUPXSA-N 0 1 298.386 3.521 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNCc2ccccc2N(C)C)o1 ZINC000263856275 524971756 /nfs/dbraw/zinc/97/17/56/524971756.db2.gz SAPMQUQYTQLFMN-XJKSGUPXSA-N 0 1 284.403 3.759 20 0 CHADMN C[C@H]1OCCN(Cc2csc3ccccc23)[C@H]1C ZINC000156068740 525028385 /nfs/dbraw/zinc/02/83/85/525028385.db2.gz ZKBVITMLMDVTOV-NWDGAFQWSA-N 0 1 261.390 3.511 20 0 CHADMN COc1ncccc1CN[C@@H](c1ccccc1)C(C)C ZINC000037650171 525060823 /nfs/dbraw/zinc/06/08/23/525060823.db2.gz FRTKDKWHYGYDPK-MRXNPFEDSA-N 0 1 270.376 3.577 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1nc2ccccc2n1C ZINC000293020949 525074360 /nfs/dbraw/zinc/07/43/60/525074360.db2.gz QSXFJHMOIDQYSS-UHFFFAOYSA-N 0 1 293.414 3.907 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccccc2F)cc1OC ZINC000019950492 525154303 /nfs/dbraw/zinc/15/43/03/525154303.db2.gz UXIWEIDGHSQESR-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN C[C@H](NC1CCC(C)CC1)c1nc(C(C)(C)C)no1 ZINC000236693548 525289850 /nfs/dbraw/zinc/28/98/50/525289850.db2.gz OOLWPJLYPIWSNO-CXQJBGSLSA-N 0 1 265.401 3.596 20 0 CHADMN C[C@H](NC1CCC(C)CC1)c1nc(Cc2ccccc2)no1 ZINC000236830267 525290356 /nfs/dbraw/zinc/29/03/56/525290356.db2.gz CFHBAOORQJETDJ-BBBYJDLNSA-N 0 1 299.418 3.890 20 0 CHADMN Cc1ccc(N[C@H](c2cccs2)c2nnc[nH]2)c(F)c1 ZINC000340346913 525318631 /nfs/dbraw/zinc/31/86/31/525318631.db2.gz RCXRLDJWXBERAB-CYBMUJFWSA-N 0 1 288.351 3.515 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(C)no2)c2ccccc12 ZINC000125539199 525324510 /nfs/dbraw/zinc/32/45/10/525324510.db2.gz QWDKZBZNHYHTEG-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN C[C@]12CCN(Cc3cc(Cl)cs3)C[C@H]1C2(F)F ZINC000292849879 525346212 /nfs/dbraw/zinc/34/62/12/525346212.db2.gz TXYKWHZWFNCNEV-MNOVXSKESA-N 0 1 277.767 3.879 20 0 CHADMN C[C@@H](NC1CC(F)(F)C1)c1ccc(F)cc1OC(F)F ZINC000277207970 525395479 /nfs/dbraw/zinc/39/54/79/525395479.db2.gz WHMFLDKTJROIRU-SSDOTTSWSA-N 0 1 295.251 3.875 20 0 CHADMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccsc1 ZINC000061363371 525411696 /nfs/dbraw/zinc/41/16/96/525411696.db2.gz IHXSJSINQFGOID-SNVBAGLBSA-N 0 1 294.807 3.691 20 0 CHADMN Cc1[nH]c2c(cc(C)cc2CNCc2ccco2)c1C ZINC000264354672 525414223 /nfs/dbraw/zinc/41/42/23/525414223.db2.gz GENLQLCNHHQPHL-UHFFFAOYSA-N 0 1 268.360 3.976 20 0 CHADMN Cc1[nH]c2c(cc(C)cc2CNCc2ccccn2)c1C ZINC000264229818 525415574 /nfs/dbraw/zinc/41/55/74/525415574.db2.gz AGKCNZCVUJGRPC-UHFFFAOYSA-N 0 1 279.387 3.778 20 0 CHADMN Cc1ccccc1[C@H]1CCN([C@H](C)c2nc(C3CC3)no2)C1 ZINC000263737299 525440326 /nfs/dbraw/zinc/44/03/26/525440326.db2.gz QWSKITGVIFPVOL-HIFRSBDPSA-N 0 1 297.402 3.806 20 0 CHADMN C[C@H](NCc1ccc(N(C)C)nc1)c1csc(Cl)c1 ZINC000276444258 525445641 /nfs/dbraw/zinc/44/56/41/525445641.db2.gz YJUAFVPERWQYSC-JTQLQIEISA-N 0 1 295.839 3.713 20 0 CHADMN Cc1cc([C@@H](C)NCCCO[C@H](C)c2ccccc2)no1 ZINC000289701689 525461854 /nfs/dbraw/zinc/46/18/54/525461854.db2.gz KJOQFLAWMFXQIU-HUUCEWRRSA-N 0 1 288.391 3.802 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccccc2-n2cccn2)oc1C ZINC000282185904 525468850 /nfs/dbraw/zinc/46/88/50/525468850.db2.gz NBTKSJFVUAKWDH-CQSZACIVSA-N 0 1 295.386 3.933 20 0 CHADMN Cc1ccc(O[C@H](C)c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000339356863 525472269 /nfs/dbraw/zinc/47/22/69/525472269.db2.gz CIZJSNLJIRJAGM-OCCSQVGLSA-N 0 1 289.379 3.564 20 0 CHADMN C[C@H](NCc1ccsc1)c1ccc(Cl)nc1 ZINC000126827388 525473792 /nfs/dbraw/zinc/47/37/92/525473792.db2.gz MUOPRSUFACCMDX-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c(C)o1 ZINC000278668064 525474657 /nfs/dbraw/zinc/47/46/57/525474657.db2.gz JBRSNVJNFAKSLQ-GHMZBOCLSA-N 0 1 276.384 3.550 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN[C@H](CCO)c2ccccc2)o1 ZINC000265828785 525509881 /nfs/dbraw/zinc/50/98/81/525509881.db2.gz CJTVYHRMIACHFO-KBRIMQKVSA-N 0 1 285.387 3.616 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(F)cn2)c(C)s1 ZINC000269007062 525519887 /nfs/dbraw/zinc/51/98/87/525519887.db2.gz LLVFBXIVFKFSPS-JTQLQIEISA-N 0 1 264.369 3.750 20 0 CHADMN Cc1cc([C@H](C)NCc2ccnn2C(C)C)c(C)s1 ZINC000279907525 525522546 /nfs/dbraw/zinc/52/25/46/525522546.db2.gz LRYLKTOUNXYAKC-LBPRGKRZSA-N 0 1 277.437 3.993 20 0 CHADMN Cc1cccnc1CN[C@H](C)c1cccc(Cl)c1 ZINC000071339326 525523521 /nfs/dbraw/zinc/52/35/21/525523521.db2.gz FCLGTIPUVSYPBM-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccn1)c1ccc2c(c1)COC2 ZINC000268693700 525538111 /nfs/dbraw/zinc/53/81/11/525538111.db2.gz ACEBYCNEDLAYDT-STQMWFEESA-N 0 1 268.360 3.524 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c1cnn2C)c1ccccc1Cl ZINC000037051717 525564117 /nfs/dbraw/zinc/56/41/17/525564117.db2.gz SUXBYZYGPJYFQG-XHDPSFHLSA-N 0 1 289.810 3.802 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)CCCc1cccs1 ZINC000276766640 525583864 /nfs/dbraw/zinc/58/38/64/525583864.db2.gz OEIBTAFOVGHUPG-UHFFFAOYSA-N 0 1 299.399 3.894 20 0 CHADMN Cc1cc2c(cc1C)[C@H](N[C@H](C)c1cn[nH]c1)CCS2 ZINC000275275704 525605512 /nfs/dbraw/zinc/60/55/12/525605512.db2.gz CPBUVMYTAKKCRQ-IUODEOHRSA-N 0 1 287.432 3.914 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccccc1)c1cccc(Cl)c1 ZINC000062999243 525626235 /nfs/dbraw/zinc/62/62/35/525626235.db2.gz UQZZGCGSTDANDS-WBMJQRKESA-N 0 1 275.779 3.724 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@H]2C2CCCC2)c1 ZINC000338682135 525630432 /nfs/dbraw/zinc/63/04/32/525630432.db2.gz WCCZINYVJJPVBK-INIZCTEOSA-N 0 1 297.402 3.666 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@H]2CC(C)C)c1 ZINC000338667435 525631615 /nfs/dbraw/zinc/63/16/15/525631615.db2.gz MDFVEQBVFRRJMZ-AWEZNQCLSA-N 0 1 285.391 3.522 20 0 CHADMN C[C@H](N[C@H]1CSc2ccccc21)c1cccc(O)c1 ZINC000156271412 525635334 /nfs/dbraw/zinc/63/53/34/525635334.db2.gz CIQGAPUTPFNOTJ-NHYWBVRUSA-N 0 1 271.385 3.890 20 0 CHADMN C[C@H](O)CN1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000337209499 525750190 /nfs/dbraw/zinc/75/01/90/525750190.db2.gz SCHUPTSZTYISQV-SMDDNHRTSA-N 0 1 287.325 3.613 20 0 CHADMN Cc1ccc([C@@H](NC[C@@H]2CCCCO2)c2ccccn2)cc1 ZINC000279960175 525775187 /nfs/dbraw/zinc/77/51/87/525775187.db2.gz HAPXXVWSYZWPFN-PKOBYXMFSA-N 0 1 296.414 3.638 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2ccno2)cc1 ZINC000266007175 525802143 /nfs/dbraw/zinc/80/21/43/525802143.db2.gz QMQCKONLMFYSHQ-INIZCTEOSA-N 0 1 256.349 3.710 20 0 CHADMN Cc1ccoc1CNCc1ccc(OCC2CC2)cc1 ZINC000291769495 525805729 /nfs/dbraw/zinc/80/57/29/525805729.db2.gz SQCLCTBEOANWMF-UHFFFAOYSA-N 0 1 271.360 3.667 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)N(Cc3cn(C(C)C)nn3)C2)cc1 ZINC000289916548 525846352 /nfs/dbraw/zinc/84/63/52/525846352.db2.gz YFLCXCBLVZOAGN-NVXWUHKLSA-N 0 1 298.434 3.545 20 0 CHADMN COc1cccc(C2(CN[C@@H](C)c3cscn3)CC2)c1 ZINC000290707026 525850360 /nfs/dbraw/zinc/85/03/60/525850360.db2.gz NRIOFVHNTKYTLI-LBPRGKRZSA-N 0 1 288.416 3.534 20 0 CHADMN Cc1ccsc1CN[C@@H](C)c1nc2ccccc2n1C ZINC000094875069 525860480 /nfs/dbraw/zinc/86/04/80/525860480.db2.gz RVAYAOQNRDIYOV-LBPRGKRZSA-N 0 1 285.416 3.794 20 0 CHADMN C[C@@H](O)c1ccc(CN[C@@H](C)c2ccc(Cl)cn2)cc1 ZINC000274902690 525865630 /nfs/dbraw/zinc/86/56/30/525865630.db2.gz LNBCIEBBDKKKIB-NWDGAFQWSA-N 0 1 290.794 3.639 20 0 CHADMN Cc1c([C@@H](C)N[C@@H]2CCc3c2cccc3O)cnn1C(C)C ZINC000276420317 525903550 /nfs/dbraw/zinc/90/35/50/525903550.db2.gz VQWGKUDNHSOROH-SJKOYZFVSA-N 0 1 299.418 3.816 20 0 CHADMN C[C@@]12CCN(Cc3cccs3)C[C@@H]1C2(Cl)Cl ZINC000284862398 525912978 /nfs/dbraw/zinc/91/29/78/525912978.db2.gz SEAMIUNYLVOHJG-WDEREUQCSA-N 0 1 276.232 3.764 20 0 CHADMN Cc1ccc([C@H](C)NCc2cn3ccccc3n2)s1 ZINC000042320800 525929553 /nfs/dbraw/zinc/92/95/53/525929553.db2.gz GSNCCENWKHKRAD-LBPRGKRZSA-N 0 1 271.389 3.555 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2nccnc2C)cc1 ZINC000187798940 525944174 /nfs/dbraw/zinc/94/41/74/525944174.db2.gz AGKXUTVKBXLOCE-GXTWGEPZSA-N 0 1 255.365 3.505 20 0 CHADMN Cc1ccc([C@H](N[C@H](C)c2ncc[nH]2)C2CC2)cc1 ZINC000139044853 525971630 /nfs/dbraw/zinc/97/16/30/525971630.db2.gz BGWIGFDISWPSLK-DOMZBBRYSA-N 0 1 255.365 3.520 20 0 CHADMN Cc1c[nH]nc1CN(C)[C@H](c1ccccc1)C(C)C ZINC000290523564 526020313 /nfs/dbraw/zinc/02/03/13/526020313.db2.gz UTXGHDIIQOMLOI-INIZCTEOSA-N 0 1 257.381 3.547 20 0 CHADMN Cc1cn[nH]c1CN(C)[C@H](C)c1ccccc1Cl ZINC000290312004 526020591 /nfs/dbraw/zinc/02/05/91/526020591.db2.gz AQHRFSKWMYTEHV-LLVKDONJSA-N 0 1 263.772 3.565 20 0 CHADMN Cc1c[nH]nc1CNC1(c2cccc(Cl)c2)CCCC1 ZINC000289628926 526028622 /nfs/dbraw/zinc/02/86/22/526028622.db2.gz WUYMMJWPBZMXSF-UHFFFAOYSA-N 0 1 289.810 3.931 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000289714123 526029218 /nfs/dbraw/zinc/02/92/18/526029218.db2.gz CMKWQPJNXLMNSI-HNNXBMFYSA-N 0 1 275.371 3.734 20 0 CHADMN Cc1cn[nH]c1CNC1(c2c(Cl)cccc2Cl)CC1 ZINC000289588492 526029643 /nfs/dbraw/zinc/02/96/43/526029643.db2.gz UAEFYZVKBYIXEL-UHFFFAOYSA-N 0 1 296.201 3.804 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC(n2ccnc2)CC1 ZINC000111244118 526030305 /nfs/dbraw/zinc/03/03/05/526030305.db2.gz WFGOSKFZFILXEQ-LBPRGKRZSA-N 0 1 291.345 3.559 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccc(C)s2)c1OC ZINC000049158587 526031035 /nfs/dbraw/zinc/03/10/35/526031035.db2.gz NKAUDUBTUMBGQF-LBPRGKRZSA-N 0 1 291.416 3.925 20 0 CHADMN Cc1cn[nH]c1CNc1cccc(-c2nc(C)c(C)o2)c1 ZINC000289592312 526037714 /nfs/dbraw/zinc/03/77/14/526037714.db2.gz UGRRQXORYCUKFT-UHFFFAOYSA-N 0 1 282.347 3.602 20 0 CHADMN Cc1ccc(C(=O)CCN2CCC(F)(F)[C@H](C)C2)cc1 ZINC000289957342 526041706 /nfs/dbraw/zinc/04/17/06/526041706.db2.gz WHPZKBTXSMNWII-CYBMUJFWSA-N 0 1 281.346 3.545 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1Cl)N1CCC[C@H](O)CC1 ZINC000293179607 526047925 /nfs/dbraw/zinc/04/79/25/526047925.db2.gz PQPVEXGYCPBNCJ-JQWIXIFHSA-N 0 1 288.218 3.901 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N(C)Cc1ccc(CO)o1 ZINC000130832635 526048572 /nfs/dbraw/zinc/04/85/72/526048572.db2.gz SDLLLYFOUQHBRB-LLVKDONJSA-N 0 1 279.767 3.618 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N1CCCO[C@H](C)C1 ZINC000340181492 526049905 /nfs/dbraw/zinc/04/99/05/526049905.db2.gz SZKANLMAKYDOMC-VXGBXAGGSA-N 0 1 253.773 3.512 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N1CCC2(CC1)OCCCO2 ZINC000293210664 526051179 /nfs/dbraw/zinc/05/11/79/526051179.db2.gz YFJVJZMIOGYJKI-CYBMUJFWSA-N 0 1 295.810 3.630 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCOCC2(CCC2)C1 ZINC000353611973 526052724 /nfs/dbraw/zinc/05/27/24/526052724.db2.gz BZQOOZZNLMMYEH-LBPRGKRZSA-N 0 1 281.346 3.528 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCC(n2cccn2)CC1 ZINC000365160811 526058244 /nfs/dbraw/zinc/05/82/44/526058244.db2.gz SKKFJSOIFFAZNN-GFCCVEGCSA-N 0 1 291.345 3.559 20 0 CHADMN C[C@@H](c1ccccc1)N(C(=O)c1cc(C2CC2)[nH]n1)C1CC1 ZINC000299417217 526082069 /nfs/dbraw/zinc/08/20/69/526082069.db2.gz GOSHRRAJPJNCAH-LBPRGKRZSA-N 0 1 295.386 3.653 20 0 CHADMN C[C@@H](c1ccccc1)N(Cc1ccc(F)cn1)C1CC1 ZINC000276288345 526088254 /nfs/dbraw/zinc/08/82/54/526088254.db2.gz VDRFJHYLSQEIKC-ZDUSSCGKSA-N 0 1 270.351 3.946 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H](C)C(C)C)[nH]c2c1 ZINC000265052264 526106007 /nfs/dbraw/zinc/10/60/07/526106007.db2.gz QBMZKKODXXRZHX-XJKSGUPXSA-N 0 1 299.418 3.827 20 0 CHADMN C[C@@H](c1nc(-c2ccccc2)no1)N1CCC(C)(C)C1 ZINC000076013075 526163939 /nfs/dbraw/zinc/16/39/39/526163939.db2.gz LZTDCOVRUSVJSH-LBPRGKRZSA-N 0 1 271.364 3.530 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1cnn2ccccc12 ZINC000337267717 526185410 /nfs/dbraw/zinc/18/54/10/526185410.db2.gz WSSQEGNYXWAUKY-CYBMUJFWSA-N 0 1 297.427 3.907 20 0 CHADMN COc1cccc(N[C@@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000292297767 526211630 /nfs/dbraw/zinc/21/16/30/526211630.db2.gz VPFMYSWMVAJUCZ-OAHLLOKOSA-N 0 1 286.379 3.547 20 0 CHADMN COc1cccc(N[C@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000292297760 526212114 /nfs/dbraw/zinc/21/21/14/526212114.db2.gz VPFMYSWMVAJUCZ-HNNXBMFYSA-N 0 1 286.379 3.547 20 0 CHADMN Cc1ccc2cccc(-c3nc([C@@H](N)CC(C)C)no3)c2n1 ZINC000339398072 526234005 /nfs/dbraw/zinc/23/40/05/526234005.db2.gz UXGYAKKGBFLQFU-AWEZNQCLSA-N 0 1 296.374 3.639 20 0 CHADMN Cc1cnccc1CN[C@@H]1CCSc2ccc(F)cc21 ZINC000294754267 526234457 /nfs/dbraw/zinc/23/44/57/526234457.db2.gz KYQZFXBLSUCPSH-OAHLLOKOSA-N 0 1 288.391 3.856 20 0 CHADMN Cc1cnn([C@@H]2CCN([C@H](C)c3ccc(Cl)cc3)C2)c1 ZINC000290084774 526267077 /nfs/dbraw/zinc/26/70/77/526267077.db2.gz ZFZQKEYBYZXSBU-CZUORRHYSA-N 0 1 289.810 3.853 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(Cl)cs1 ZINC000222235107 526291052 /nfs/dbraw/zinc/29/10/52/526291052.db2.gz MVEHDDYMNPYOLI-ICCXJUOJSA-N 0 1 299.823 3.619 20 0 CHADMN Oc1ccc2c(c1)[C@H](NCc1ccc(F)cc1F)CCC2 ZINC000236590129 526354184 /nfs/dbraw/zinc/35/41/84/526354184.db2.gz XJLAKDVPLUYOFL-QGZVFWFLSA-N 0 1 289.325 3.838 20 0 CHADMN Fc1cccc([C@@H]2CCCN2Cc2ccncc2)c1 ZINC000130283129 526397601 /nfs/dbraw/zinc/39/76/01/526397601.db2.gz CWTZSBYTKDUDFW-INIZCTEOSA-N 0 1 256.324 3.558 20 0 CHADMN Fc1cccc([C@H](NCC2=CCCOC2)c2ccccc2)c1 ZINC000127842984 526398748 /nfs/dbraw/zinc/39/87/48/526398748.db2.gz XPOBRVQBASHWBG-LJQANCHMSA-N 0 1 297.373 3.851 20 0 CHADMN c1c[nH]c(CN[C@H](CC2CCCC2)c2ccccc2)n1 ZINC000128902178 526407510 /nfs/dbraw/zinc/40/75/10/526407510.db2.gz SJHCBVIAEQBBEO-MRXNPFEDSA-N 0 1 269.392 3.821 20 0 CHADMN Cc1noc(C(C)C)c1C(=O)Nc1cccc(Cl)c1O ZINC000265176628 526465101 /nfs/dbraw/zinc/46/51/01/526465101.db2.gz PYDNGDOFQHONNA-UHFFFAOYSA-N 0 1 294.738 3.718 20 0 CHADMN Cc1cscc1CNCc1conc1Cc1ccccc1 ZINC000339374967 526466846 /nfs/dbraw/zinc/46/68/46/526466846.db2.gz BDGHBOQIIZJIIE-UHFFFAOYSA-N 0 1 298.411 3.925 20 0 CHADMN Cc1noc(C)c1CN[C@H]1CCCc2nc(Cl)ccc21 ZINC000295850207 526516292 /nfs/dbraw/zinc/51/62/92/526516292.db2.gz FZMCOBWSAYJTLA-ZDUSSCGKSA-N 0 1 291.782 3.507 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1CCCc2nc(Cl)ccc21 ZINC000295850204 526516805 /nfs/dbraw/zinc/51/68/05/526516805.db2.gz FZMCOBWSAYJTLA-CYBMUJFWSA-N 0 1 291.782 3.507 20 0 CHADMN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000130524776 526523663 /nfs/dbraw/zinc/52/36/63/526523663.db2.gz WRFKCXZKXTUSLI-OAHLLOKOSA-N 0 1 273.355 3.503 20 0 CHADMN c1csc(-c2noc(CN(C3CCC3)C3CCC3)n2)c1 ZINC000292430604 526576366 /nfs/dbraw/zinc/57/63/66/526576366.db2.gz NODNSRJFXMOPDN-UHFFFAOYSA-N 0 1 289.404 3.705 20 0 CHADMN Cc1nc(C(C)C)ccc1CSc1nc(C2CC2)n[nH]1 ZINC000292594022 526668492 /nfs/dbraw/zinc/66/84/92/526668492.db2.gz HAQNOAMQMHCWMA-UHFFFAOYSA-N 0 1 288.420 3.801 20 0 CHADMN Cc1nc(C(C)C)ccc1CSc1n[nH]c(C2CC2)n1 ZINC000292594022 526668496 /nfs/dbraw/zinc/66/84/96/526668496.db2.gz HAQNOAMQMHCWMA-UHFFFAOYSA-N 0 1 288.420 3.801 20 0 CHADMN Cc1nocc1CNC1(c2ccccc2)CCCC1 ZINC000339254830 526689714 /nfs/dbraw/zinc/68/97/14/526689714.db2.gz FJBWOTPKKYUGGA-UHFFFAOYSA-N 0 1 256.349 3.542 20 0 CHADMN Cc1nc(CN(C)[C@H](C)CCc2ccccc2)cs1 ZINC000340685475 526846004 /nfs/dbraw/zinc/84/60/04/526846004.db2.gz RTAYPONYCYXXCG-CYBMUJFWSA-N 0 1 274.433 3.905 20 0 CHADMN Cc1nc(CNC2CC(C)(c3ccccc3)C2)cs1 ZINC000264989266 526887838 /nfs/dbraw/zinc/88/78/38/526887838.db2.gz WSUOHMUZTLMBKX-UHFFFAOYSA-N 0 1 272.417 3.661 20 0 CHADMN Cc1sccc1CNCc1ccnc(OC2CCC2)c1 ZINC000339331943 526916010 /nfs/dbraw/zinc/91/60/10/526916010.db2.gz WAKNDGIPBPOQEQ-UHFFFAOYSA-N 0 1 288.416 3.673 20 0 CHADMN Cc1sccc1CNCc1nccc2ccccc21 ZINC000339210920 526917388 /nfs/dbraw/zinc/91/73/88/526917388.db2.gz ROEXYXLAVYEVGO-UHFFFAOYSA-N 0 1 268.385 3.895 20 0 CHADMN Cc1sccc1CN[C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000339401729 526918719 /nfs/dbraw/zinc/91/87/19/526918719.db2.gz XGQOOBDBTWZYTA-VFZGTOFNSA-N 0 1 277.364 3.807 20 0 CHADMN Clc1cc2c(s1)CCC[C@@H]2NCc1ccccn1 ZINC000127313626 526930288 /nfs/dbraw/zinc/93/02/88/526930288.db2.gz VJIZWLFQBAATMJ-LBPRGKRZSA-N 0 1 278.808 3.964 20 0 CHADMN Cc1nc(F)ccc1CN1CCC(c2ccsc2)CC1 ZINC000278760947 526944474 /nfs/dbraw/zinc/94/44/74/526944474.db2.gz TUPIZYDSHIHYJY-UHFFFAOYSA-N 0 1 290.407 3.970 20 0 CHADMN Cc1nc(F)ccc1CN(CCC(F)(F)F)CC1CC1 ZINC000278484531 526945393 /nfs/dbraw/zinc/94/53/93/526945393.db2.gz SJHUNHLQMKHTBU-UHFFFAOYSA-N 0 1 290.304 3.694 20 0 CHADMN Clc1cnc(CNC2CC(c3ccccc3)C2)s1 ZINC000341512648 526996795 /nfs/dbraw/zinc/99/67/95/526996795.db2.gz PDYDRXDIHRTIBY-UHFFFAOYSA-N 0 1 278.808 3.832 20 0 CHADMN NC1(c2noc(-c3cc(Cl)cc(Cl)c3)n2)CCCC1 ZINC000041153047 527132410 /nfs/dbraw/zinc/13/24/10/527132410.db2.gz KYODVWCLPCSRBV-UHFFFAOYSA-N 0 1 298.173 3.771 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@@H](CC(C)C)C2)[nH]1 ZINC000338573628 527152602 /nfs/dbraw/zinc/15/26/02/527152602.db2.gz KQKHRDLDWKXMQC-AWEZNQCLSA-N 0 1 299.418 3.770 20 0 CHADMN Cc1ncc(CNCc2ccc(CC(C)C)cc2)s1 ZINC000088296642 527272671 /nfs/dbraw/zinc/27/26/71/527272671.db2.gz BMGLCYAAKJEZCM-UHFFFAOYSA-N 0 1 274.433 3.940 20 0 CHADMN Cc1ncc(CN[C@@H]2CCSc3c(F)cccc32)s1 ZINC000040437480 527278107 /nfs/dbraw/zinc/27/81/07/527278107.db2.gz QMLUCTBIGAZKNC-CYBMUJFWSA-N 0 1 294.420 3.917 20 0 CHADMN Cn1ccnc1[C@@H](NCc1cccc2ccccc21)C1CC1 ZINC000127642434 527454586 /nfs/dbraw/zinc/45/45/86/527454586.db2.gz RBDOYQFJCQSQBV-SFHVURJKSA-N 0 1 291.398 3.814 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1ccc(C(F)(F)F)cc1 ZINC000187715713 527454846 /nfs/dbraw/zinc/45/48/46/527454846.db2.gz JPTFPIOJIHFUAN-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN Cc1ncsc1CNCc1cc(F)cc(Cl)c1 ZINC000160936550 527510652 /nfs/dbraw/zinc/51/06/52/527510652.db2.gz BNJXFFKYHGLTLI-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN OCC1([C@@H](NCc2ccccc2F)c2ccccc2)CCC1 ZINC000292813724 527526833 /nfs/dbraw/zinc/52/68/33/527526833.db2.gz SFIJFVDVKMYQMF-SFHVURJKSA-N 0 1 299.389 3.819 20 0 CHADMN OCCCN(Cc1ccc(Cl)s1)Cc1ccccc1 ZINC000353322743 527539850 /nfs/dbraw/zinc/53/98/50/527539850.db2.gz XHZQYOKFLDNMLN-UHFFFAOYSA-N 0 1 295.835 3.786 20 0 CHADMN FC(F)(F)CCCCN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289841072 527663716 /nfs/dbraw/zinc/66/37/16/527663716.db2.gz KFARSPTXTOBNSU-LLVKDONJSA-N 0 1 295.736 3.516 20 0 CHADMN CC1(C)C[C@H]1NCc1ncc(-c2ccccc2)s1 ZINC000356050922 527765886 /nfs/dbraw/zinc/76/58/86/527765886.db2.gz TVJPPLVJCYGTCW-CYBMUJFWSA-N 0 1 258.390 3.698 20 0 CHADMN CCCN(CC(=O)c1c(C)[nH]c2ccccc21)C1CC1 ZINC000350750678 527910265 /nfs/dbraw/zinc/91/02/65/527910265.db2.gz WRPNONIFQSJLLZ-UHFFFAOYSA-N 0 1 270.376 3.533 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2csc(C(C)C)n2)C12CCC2 ZINC000344465316 528099872 /nfs/dbraw/zinc/09/98/72/528099872.db2.gz NXEOQGVJPAPXDW-KGLIPLIRSA-N 0 1 294.464 3.704 20 0 CHADMN CC1=CCN(Cc2cnc(C3CCCC3)s2)CC1 ZINC000353861169 528121939 /nfs/dbraw/zinc/12/19/39/528121939.db2.gz AGMPEGBGXUFMDW-UHFFFAOYSA-N 0 1 262.422 3.953 20 0 CHADMN CC(C)Oc1ccccc1CN(C)Cc1ccc(O)cc1 ZINC000349408875 528248544 /nfs/dbraw/zinc/24/85/44/528248544.db2.gz QSOYZVNQDHKDLY-UHFFFAOYSA-N 0 1 285.387 3.811 20 0 CHADMN CCN(CCC1CC1)Cc1ccn(C2CCCC2)n1 ZINC000355044588 528425726 /nfs/dbraw/zinc/42/57/26/528425726.db2.gz XZXDZEALROPFTI-UHFFFAOYSA-N 0 1 261.413 3.620 20 0 CHADMN CC(C)n1cc(CN2CC[C@@H](C(F)(F)F)C2(C)C)cn1 ZINC000347313413 528562941 /nfs/dbraw/zinc/56/29/41/528562941.db2.gz PDIVUDCIUYXYLK-GFCCVEGCSA-N 0 1 289.345 3.627 20 0 CHADMN CC(C)[C@@H]1CCCC[C@@H]1N[C@@H](C)c1nc(C2CC2)no1 ZINC000331549776 528653048 /nfs/dbraw/zinc/65/30/48/528653048.db2.gz RPQYGDMQAPTTTP-UBHSHLNASA-N 0 1 277.412 3.812 20 0 CHADMN CCCc1nc(CN(C[C@H](C)O)C2CCCCC2)cs1 ZINC000355798098 528745287 /nfs/dbraw/zinc/74/52/87/528745287.db2.gz OCKQOOKAPYLZQA-ZDUSSCGKSA-N 0 1 296.480 3.611 20 0 CHADMN CCN(Cc1cn(-c2ccncc2)nc1C)c1ccccc1 ZINC000347384169 528864103 /nfs/dbraw/zinc/86/41/03/528864103.db2.gz XKBDGNOPXYVXLL-UHFFFAOYSA-N 0 1 292.386 3.602 20 0 CHADMN CC1(C)CC(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000354509259 528882576 /nfs/dbraw/zinc/88/25/76/528882576.db2.gz XMONPGBBWHKCJC-UHFFFAOYSA-N 0 1 293.317 3.875 20 0 CHADMN CCC1(C(=O)Nc2ccc3c(C)[nH]nc3c2)CCCC1 ZINC000354989867 529012913 /nfs/dbraw/zinc/01/29/13/529012913.db2.gz JVISVQMZBHVFOX-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN CC(C)[C@H](NCc1ccc2cc[nH]c2n1)c1ccc(F)cn1 ZINC000353616352 529123166 /nfs/dbraw/zinc/12/31/66/529123166.db2.gz BRZFPYWTVZLMBQ-INIZCTEOSA-N 0 1 298.365 3.584 20 0 CHADMN CC1(C)CN(Cc2cccc3c[nH]nc32)[C@@H]1c1ccncc1 ZINC000353713519 529124923 /nfs/dbraw/zinc/12/49/23/529124923.db2.gz JSXUHHOMSLRFHR-QGZVFWFLSA-N 0 1 292.386 3.541 20 0 CHADMN CC1(C)CN(Cc2cnc3ccccc3c2)[C@H]2CCC[C@@H]2O1 ZINC000347186547 529124958 /nfs/dbraw/zinc/12/49/58/529124958.db2.gz OEXIPIMUGUHVOZ-ROUUACIJSA-N 0 1 296.414 3.767 20 0 CHADMN CC[C@@H](NCc1ccccc1OC(F)F)c1ccncc1 ZINC000347362029 529186686 /nfs/dbraw/zinc/18/66/86/529186686.db2.gz IJTLZCPKVSQVKN-CQSZACIVSA-N 0 1 292.329 3.924 20 0 CHADMN C[C@@H]1CCCN(Cc2cccc(F)c2Br)C1 ZINC000158008084 570395138 /nfs/dbraw/zinc/39/51/38/570395138.db2.gz CGLLNCNATQEKMH-SNVBAGLBSA-N 0 1 286.188 3.820 20 0 CHADMN Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1 ZINC000738594415 599715622 /nfs/dbraw/zinc/71/56/22/599715622.db2.gz LYSIBIPJMLGBKY-INIZCTEOSA-N 0 1 297.398 3.718 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000062015150 599847056 /nfs/dbraw/zinc/84/70/56/599847056.db2.gz CUMQVWMWMVNDEV-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN CCc1ccc(C[N@@H+](Cc2cc(C(=O)[O-])co2)C2CC2)cc1 ZINC000737264885 599847102 /nfs/dbraw/zinc/84/71/02/599847102.db2.gz MBBHIELNJHKNMR-UHFFFAOYSA-N 0 1 299.370 3.705 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)c1 ZINC000565485122 599848019 /nfs/dbraw/zinc/84/80/19/599848019.db2.gz ABIQDRSUPUGFGT-MRXNPFEDSA-N 0 1 299.370 3.575 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])co2)c1 ZINC000516656295 599848433 /nfs/dbraw/zinc/84/84/33/599848433.db2.gz BBSQENFUNJSXFC-INIZCTEOSA-N 0 1 285.343 3.623 20 0 CHADMN CCC[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccc(F)cc1 ZINC000737019687 599849385 /nfs/dbraw/zinc/84/93/85/599849385.db2.gz IXLBBIBWDDRNMO-UHFFFAOYSA-N 0 1 291.322 3.529 20 0 CHADMN C[N@@H+](Cc1ccc(F)cc1C(=O)[O-])C1CCCCCC1 ZINC000071264811 600083281 /nfs/dbraw/zinc/08/32/81/600083281.db2.gz GTHJBHWVQPWPNS-UHFFFAOYSA-N 0 1 279.355 3.679 20 0 CHADMN Cc1ccc(C)c(C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000156907808 600085823 /nfs/dbraw/zinc/08/58/23/600085823.db2.gz VLMBFZGRJNZCAL-UHFFFAOYSA-N 0 1 281.355 3.517 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@H](C)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000652409093 600143760 /nfs/dbraw/zinc/14/37/60/600143760.db2.gz GQTMSVCTGMTCJA-QWHCGFSZSA-N 0 1 287.359 3.774 20 0 CHADMN O=C([O-])c1occc1C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000514791245 600144167 /nfs/dbraw/zinc/14/41/67/600144167.db2.gz KCJNHWYLBDCIGY-OAHLLOKOSA-N 0 1 299.370 3.748 20 0 CHADMN O=C([O-])[C@@H]1CCC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000164618049 600208488 /nfs/dbraw/zinc/20/84/88/600208488.db2.gz UASCXICMPDROTI-QGZVFWFLSA-N 0 1 297.398 3.569 20 0 CHADMN Cc1ccc(C)c(C[N@H+](C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000738575083 600213102 /nfs/dbraw/zinc/21/31/02/600213102.db2.gz XUBGVPWXRGVFTK-KRWDZBQOSA-N 0 1 283.371 3.561 20 0 CHADMN Cc1oc(C[N@@H+]2CCCC[C@@H]2c2ccco2)cc1C(=O)[O-] ZINC000738978712 600216935 /nfs/dbraw/zinc/21/69/35/600216935.db2.gz JGIUZYCPUGQTIQ-CQSZACIVSA-N 0 1 289.331 3.606 20 0 CHADMN Cc1oc(C[N@H+]2CCCC[C@@H]2c2ccco2)cc1C(=O)[O-] ZINC000738978712 600216937 /nfs/dbraw/zinc/21/69/37/600216937.db2.gz JGIUZYCPUGQTIQ-CQSZACIVSA-N 0 1 289.331 3.606 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000568061407 600262118 /nfs/dbraw/zinc/26/21/18/600262118.db2.gz FPXHLTKSSWUROD-CYBMUJFWSA-N 0 1 289.331 3.688 20 0 CHADMN Cc1cc(C[N@H+]2CCCC3(CCCCC3)C2)oc1C(=O)[O-] ZINC000652413466 600337848 /nfs/dbraw/zinc/33/78/48/600337848.db2.gz DQUZCBQEJKQFGT-UHFFFAOYSA-N 0 1 291.391 3.833 20 0 CHADMN CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])c(C)o1 ZINC000736879494 600432411 /nfs/dbraw/zinc/43/24/11/600432411.db2.gz FCACEDWAXOARLF-NHYWBVRUSA-N 0 1 279.380 3.687 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000574093257 600432994 /nfs/dbraw/zinc/43/29/94/600432994.db2.gz LLIKRCZUGUVTAP-UONOGXRCSA-N 0 1 299.370 3.664 20 0 CHADMN CCS[C@H]1CCCC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000571810280 600434212 /nfs/dbraw/zinc/43/42/12/600434212.db2.gz BXZGHAGOIIEARW-NEPJUHHUSA-N 0 1 297.420 3.646 20 0 CHADMN C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000736838761 600441580 /nfs/dbraw/zinc/44/15/80/600441580.db2.gz TVRIKLCFOJERPQ-GFCCVEGCSA-N 0 1 299.345 3.643 20 0 CHADMN CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000736393007 600541137 /nfs/dbraw/zinc/54/11/37/600541137.db2.gz ZLGNCXCVPMKYEI-MRXNPFEDSA-N 0 1 287.359 3.807 20 0 CHADMN C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC000515068034 600642448 /nfs/dbraw/zinc/64/24/48/600642448.db2.gz MURNAQLJTABETQ-GOSISDBHSA-N 0 1 299.370 3.532 20 0 CHADMN CC(C)C[C@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000516872858 600718543 /nfs/dbraw/zinc/71/85/43/600718543.db2.gz RSCNQGUCAIBEKE-CYBMUJFWSA-N 0 1 279.380 3.769 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCCC(C)(C)CC1 ZINC000091782768 600971728 /nfs/dbraw/zinc/97/17/28/600971728.db2.gz MTKQSYIFBOCMTO-LLVKDONJSA-N 0 1 265.353 3.551 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1cc(C)c(C(=O)[O-])o1 ZINC000519412617 601024725 /nfs/dbraw/zinc/02/47/25/601024725.db2.gz DHBZHNOEZDGXPU-BXUZGUMPSA-N 0 1 279.380 3.687 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000828456984 601042562 /nfs/dbraw/zinc/04/25/62/601042562.db2.gz PLDAWPKZUZWARJ-SUMWQHHRSA-N 0 1 281.355 3.578 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000827928970 601116609 /nfs/dbraw/zinc/11/66/09/601116609.db2.gz SLZKUANOLJPTJV-GHMZBOCLSA-N 0 1 271.316 3.616 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1Cc2ccccc2[C@H]1C ZINC000827928970 601116611 /nfs/dbraw/zinc/11/66/11/601116611.db2.gz SLZKUANOLJPTJV-GHMZBOCLSA-N 0 1 271.316 3.616 20 0 CHADMN C[C@H]1CCC[N@H+]1Cc1c2ccccc2sc1C(=O)[O-] ZINC000037911353 601428524 /nfs/dbraw/zinc/42/85/24/601428524.db2.gz ZPTIBGCLQMQBML-JTQLQIEISA-N 0 1 275.373 3.584 20 0 CHADMN C[C@@H](Cc1ccsc1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000689977081 601449210 /nfs/dbraw/zinc/44/92/10/601449210.db2.gz QPVKDBULBFMJEJ-LBPRGKRZSA-N 0 1 289.400 3.509 20 0 CHADMN C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000235251426 601617217 /nfs/dbraw/zinc/61/72/17/601617217.db2.gz AJXYYVJDRMFIMX-IAQYHMDHSA-N 0 1 279.355 3.534 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000233913323 601641298 /nfs/dbraw/zinc/64/12/98/601641298.db2.gz HSIIGBZLAXBWST-CYBMUJFWSA-N 0 1 279.355 3.679 20 0 CHADMN C[C@H]1c2ccccc2C[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000828528511 601649113 /nfs/dbraw/zinc/64/91/13/601649113.db2.gz WEYMGRXISRVFHQ-NSHDSACASA-N 0 1 285.318 3.601 20 0 CHADMN C[C@H]1c2ccccc2C[N@@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000828528511 601649114 /nfs/dbraw/zinc/64/91/14/601649114.db2.gz WEYMGRXISRVFHQ-NSHDSACASA-N 0 1 285.318 3.601 20 0 CHADMN C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC000110956849 601807768 /nfs/dbraw/zinc/80/77/68/601807768.db2.gz BFMUKLLTCNLIQX-JTQLQIEISA-N 0 1 293.363 3.778 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCCC[C@@H]1c1ccco1 ZINC000833348675 601828726 /nfs/dbraw/zinc/82/87/26/601828726.db2.gz PAGVVKZXTVUWSZ-GFCCVEGCSA-N 0 1 291.372 3.767 20 0 CHADMN CC[C@@H](Nc1ccc([N@@H+]2CCCC[C@H]2C)cc1C)C(=O)[O-] ZINC000828999117 602099293 /nfs/dbraw/zinc/09/92/93/602099293.db2.gz QTULPYSARNEAJO-UKRRQHHQSA-N 0 1 290.407 3.649 20 0 CHADMN CC[C@@H](Nc1ccc([N@H+]2CCCC[C@H]2C)cc1C)C(=O)[O-] ZINC000828999117 602099297 /nfs/dbraw/zinc/09/92/97/602099297.db2.gz QTULPYSARNEAJO-UKRRQHHQSA-N 0 1 290.407 3.649 20 0 CHADMN C[N@@H+](CC(=O)[O-])Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000833691807 604540697 /nfs/dbraw/zinc/54/06/97/604540697.db2.gz CNMYMQCSDXJKFO-UHFFFAOYSA-N 0 1 295.791 3.585 20 0 CHADMN CCc1ccc(C[N@@H+]2Cc3ccc(C(=O)[O-])cc3C2)s1 ZINC000156901390 604634053 /nfs/dbraw/zinc/63/40/53/604634053.db2.gz DNYMLKMVKKTIIK-UHFFFAOYSA-N 0 1 287.384 3.525 20 0 CHADMN CCc1ccc(C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)s1 ZINC000156901390 604634061 /nfs/dbraw/zinc/63/40/61/604634061.db2.gz DNYMLKMVKKTIIK-UHFFFAOYSA-N 0 1 287.384 3.525 20 0 CHADMN CCCCC[C@H]1CCC[N@H+]1Cc1occc1C(=O)[O-] ZINC000829347742 604677061 /nfs/dbraw/zinc/67/70/61/604677061.db2.gz LMQQPAXFJXASSQ-LBPRGKRZSA-N 0 1 265.353 3.523 20 0 CHADMN C[C@@H](c1ccccc1F)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135049430 604936093 /nfs/dbraw/zinc/93/60/93/604936093.db2.gz WRRMKDVFQWPTKA-STQMWFEESA-N 0 1 293.382 3.710 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833548572 605104689 /nfs/dbraw/zinc/10/46/89/605104689.db2.gz PFXCBDAKKPCPAT-JTQLQIEISA-N 0 1 292.766 3.559 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000572653404 605137856 /nfs/dbraw/zinc/13/78/56/605137856.db2.gz KSMHBXWBBNDWOO-WQGACYEGSA-N 0 1 277.364 3.551 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000049962182 948916366 /nfs/dbraw/zinc/91/63/66/948916366.db2.gz AMHHUGAUFVHOGO-UHFFFAOYSA-N 0 1 283.371 3.579 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC000086784583 949065973 /nfs/dbraw/zinc/06/59/73/949065973.db2.gz WPZPJOKHKODVLI-WMLDXEAASA-N 0 1 275.392 3.633 20 0 CHADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCC1CCCCCC1 ZINC000263522078 950503007 /nfs/dbraw/zinc/50/30/07/950503007.db2.gz RKBNLBMYDLTLQA-DZGCQCFKSA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CCC1=CCCCC1 ZINC000395307846 951465003 /nfs/dbraw/zinc/46/50/03/951465003.db2.gz FIKUFDOHWUTBBS-HNNXBMFYSA-N 0 1 265.397 3.596 20 0 CHADMN C[C@@H](NCc1cccc(OC(F)F)c1)c1cccnc1 ZINC000127266927 1125460008 /nfs/dbraw/zinc/46/00/08/1125460008.db2.gz NQJPTLJPSGEUDR-LLVKDONJSA-N 0 1 278.302 3.534 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)[C@H](C)c1ccccc1 ZINC000383589813 971878319 /nfs/dbraw/zinc/87/83/19/971878319.db2.gz RLWPWGIDLINYQW-LLVKDONJSA-N 0 1 289.400 3.948 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@@H+](C)CCCC(=O)[O-] ZINC001602959230 971942186 /nfs/dbraw/zinc/94/21/86/971942186.db2.gz WWRSHWXHGOWSQB-AWEZNQCLSA-N 0 1 255.402 3.556 20 0 CHADMN C/C=C\C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000629376618 953822046 /nfs/dbraw/zinc/82/20/46/953822046.db2.gz YMNFDBWRIOOYMO-DLGQBQFBSA-N 0 1 279.405 3.625 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000629360823 953823269 /nfs/dbraw/zinc/82/32/69/953823269.db2.gz WEJDUCZQNBGVKR-UONOGXRCSA-N 0 1 255.402 3.532 20 0 CHADMN CC(C)c1cccc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000662212534 954383236 /nfs/dbraw/zinc/38/32/36/954383236.db2.gz CNCYTJQFUPKUPN-MRXNPFEDSA-N 0 1 275.392 3.639 20 0 CHADMN CC[N@@H+](CC1CCC(C(C)(C)C)CC1)[C@@H](C)C(=O)[O-] ZINC000662218421 954387340 /nfs/dbraw/zinc/38/73/40/954387340.db2.gz ZUPICRYJHPLSEC-HSBZDZAISA-N 0 1 269.429 3.634 20 0 CHADMN CCC(C)(C)c1ccc(C[N@@H+](C)CCCC(=O)[O-])cc1 ZINC001589451510 954802932 /nfs/dbraw/zinc/80/29/32/954802932.db2.gz GRJLUPLYBDJRQU-UHFFFAOYSA-N 0 1 277.408 3.671 20 0 CHADMN CCCC[C@@H](CC)C[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000386637263 972070593 /nfs/dbraw/zinc/07/05/93/972070593.db2.gz QTHDTYOREBLRPS-CYBMUJFWSA-N 0 1 255.402 3.532 20 0 CHADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1C1c2ccccc2-c2ccccc21 ZINC000387904699 972148018 /nfs/dbraw/zinc/14/80/18/972148018.db2.gz VKCPBFAVUWQQSI-QWHCGFSZSA-N 0 1 293.366 3.551 20 0 CHADMN Cc1cc(CN(C)C[C@H]2CCCO2)c(OC(F)F)cc1C ZINC000128106610 1125465229 /nfs/dbraw/zinc/46/52/29/1125465229.db2.gz VKMZQLHOEDSNDH-CQSZACIVSA-N 0 1 299.361 3.516 20 0 CHADMN CSc1ccc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])s1 ZINC000901997034 956598164 /nfs/dbraw/zinc/59/81/64/956598164.db2.gz KXFRPPSWYXTDKW-NSHDSACASA-N 0 1 299.461 3.689 20 0 CHADMN CC[C@H](C)[C@H]1CCCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903695656 956881808 /nfs/dbraw/zinc/88/18/08/956881808.db2.gz FOARWNRRSWSIAW-UONOGXRCSA-N 0 1 267.413 3.532 20 0 CHADMN C[N@@H+](CCC1(C(=O)[O-])CCC1)C1CCCCCCC1 ZINC000903696383 956884169 /nfs/dbraw/zinc/88/41/69/956884169.db2.gz HDGRURMQQIXOIA-UHFFFAOYSA-N 0 1 267.413 3.676 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903696976 956886628 /nfs/dbraw/zinc/88/66/28/956886628.db2.gz FNJVCMVJJVVONC-KGLIPLIRSA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CC[C@H](C3CCCCC3)C2)CCC1 ZINC000903707384 956901987 /nfs/dbraw/zinc/90/19/87/956901987.db2.gz WCMQYRSXWOAFPJ-HNNXBMFYSA-N 0 1 279.424 3.534 20 0 CHADMN CCCCC[N@@H+](Cc1cc(C(=O)[O-])oc1C)C(C)C ZINC000051361641 957505290 /nfs/dbraw/zinc/50/52/90/957505290.db2.gz JNAASZFDSBTDAS-UHFFFAOYSA-N 0 1 267.369 3.687 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000079349763 957756203 /nfs/dbraw/zinc/75/62/03/957756203.db2.gz MSEYALAUALWEEL-CQSZACIVSA-N 0 1 293.407 3.934 20 0 CHADMN Clc1ccnc(CN2CCC3(C2)CCCCC3)c1 ZINC000302528459 1125467128 /nfs/dbraw/zinc/46/71/28/1125467128.db2.gz QQKBMPYXCOLWIL-UHFFFAOYSA-N 0 1 264.800 3.891 20 0 CHADMN CC1(C)CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC000087660741 958026955 /nfs/dbraw/zinc/02/69/55/958026955.db2.gz BECTXNDDYVEVIO-UHFFFAOYSA-N 0 1 279.355 3.536 20 0 CHADMN CC(C)(C)c1coc(CNCC[C@@H]2CCC(C)(C)CO2)n1 ZINC000897473915 1125467739 /nfs/dbraw/zinc/46/77/39/1125467739.db2.gz ICCZVDBLGSZPJE-ZDUSSCGKSA-N 0 1 294.439 3.657 20 0 CHADMN CC(C)C[N@@H+](Cc1cc(C(=O)[O-])ccc1F)C1CCCC1 ZINC000094853366 958316522 /nfs/dbraw/zinc/31/65/22/958316522.db2.gz KDZGZRWIIXJMQP-UHFFFAOYSA-N 0 1 293.382 3.925 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)C1CCC(C)(C)CC1 ZINC000094860111 958317056 /nfs/dbraw/zinc/31/70/56/958317056.db2.gz DRXSDIPNODJQKZ-UHFFFAOYSA-N 0 1 279.380 3.687 20 0 CHADMN C[N@@H+](CCCC(=O)[O-])[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000097902117 958352719 /nfs/dbraw/zinc/35/27/19/958352719.db2.gz KRVLGFLMYHKFPJ-CVEARBPZSA-N 0 1 275.392 3.509 20 0 CHADMN O=C([O-])[C@H]1C[N@@H+](CCC2CCCCC2)Cc2ccccc21 ZINC000127459440 958614084 /nfs/dbraw/zinc/61/40/84/958614084.db2.gz GBZMQWXASQRJAR-KRWDZBQOSA-N 0 1 287.403 3.641 20 0 CHADMN Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001594382847 958649274 /nfs/dbraw/zinc/64/92/74/958649274.db2.gz JYXPKQDSTIKDLO-KDOFPFPSSA-N 0 1 297.398 3.691 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+]([C@H](C)C(=O)[O-])C1CC1 ZINC001594383209 958650995 /nfs/dbraw/zinc/65/09/95/958650995.db2.gz ROUZENRTAOEKDH-CYBMUJFWSA-N 0 1 283.371 3.586 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000129194408 958695190 /nfs/dbraw/zinc/69/51/90/958695190.db2.gz RWYTWFIJNGKMDR-YOEHRIQHSA-N 0 1 289.419 3.714 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc3ccccc32)[C@H](C(=O)[O-])C1 ZINC000129514268 958709742 /nfs/dbraw/zinc/70/97/42/958709742.db2.gz ATCFHEDMFTUGLQ-DYVFJYSZSA-N 0 1 283.371 3.525 20 0 CHADMN Cc1cccc(C2=CC[N@@H+](CCC3(C(=O)[O-])CCC3)CC2)c1 ZINC001594401394 958856159 /nfs/dbraw/zinc/85/61/59/958856159.db2.gz DSBJQQKANUQIBE-UHFFFAOYSA-N 0 1 299.414 3.729 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c(C)c1 ZINC000135052303 958883418 /nfs/dbraw/zinc/88/34/18/958883418.db2.gz QLUFGSXFZAXTLT-MRXNPFEDSA-N 0 1 289.419 3.626 20 0 CHADMN Cc1oncc1CN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000128725363 1125469350 /nfs/dbraw/zinc/46/93/50/1125469350.db2.gz UGJCNBQNSANFJJ-MEDUHNTESA-N 0 1 274.339 3.705 20 0 CHADMN Cc1cc([C@@H](C)Nc2ccc(C(=O)[O-])c(C)[nH+]2)c(C)s1 ZINC000147500739 959000283 /nfs/dbraw/zinc/00/02/83/959000283.db2.gz HAHURJBIQPPLLR-SNVBAGLBSA-N 0 1 290.388 3.940 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000181545025 959438737 /nfs/dbraw/zinc/43/87/37/959438737.db2.gz LEJKHRMSXDMION-CQSZACIVSA-N 0 1 281.783 3.732 20 0 CHADMN Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000223499727 959836674 /nfs/dbraw/zinc/83/66/74/959836674.db2.gz YXKDMDIEQKNWIU-LSDHHAIUSA-N 0 1 289.419 3.879 20 0 CHADMN C[C@H](c1cccs1)[N@@H+](C)CCc1ccccc1C(=O)[O-] ZINC000228516246 960020252 /nfs/dbraw/zinc/02/02/52/960020252.db2.gz XGNWXYWFESPAKH-GFCCVEGCSA-N 0 1 289.400 3.682 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc3ccccc32)[C@@H](C(=O)[O-])C1 ZINC000229308253 960076106 /nfs/dbraw/zinc/07/61/06/960076106.db2.gz ATCFHEDMFTUGLQ-CXAGYDPISA-N 0 1 283.371 3.525 20 0 CHADMN C[C@H]([NH2+]Cc1ccsc1)c1cc(Cl)ccc1[O-] ZINC000185020029 1117752874 /nfs/dbraw/zinc/75/28/74/1117752874.db2.gz GXVMUEPWEBPRBS-VIFPVBQESA-N 0 1 267.781 3.958 20 0 CHADMN C[C@H](CC[N@H+]1CCCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000251248588 961245949 /nfs/dbraw/zinc/24/59/49/961245949.db2.gz UEZWROQMVBCXRP-ZBFHGGJFSA-N 0 1 275.392 3.509 20 0 CHADMN C[C@@H](SCc1nnc[nH]1)c1ccc(F)c(Cl)c1 ZINC001118538700 1131230501 /nfs/dbraw/zinc/23/05/01/1131230501.db2.gz XYOXZMGWBQIUOU-SSDOTTSWSA-N 0 1 271.748 3.592 20 0 CHADMN Cc1oncc1CN[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000129937328 1125479090 /nfs/dbraw/zinc/47/90/90/1125479090.db2.gz LRQHDNRRQLBWEF-CYBMUJFWSA-N 0 1 293.370 3.896 20 0 CHADMN CCOc1ccc([C@H](C)N[C@H](C)c2cncs2)cc1 ZINC000119375594 1117894231 /nfs/dbraw/zinc/89/42/31/1117894231.db2.gz SJLOLSXOSJWIDQ-NWDGAFQWSA-N 0 1 276.405 3.954 20 0 CHADMN Cc1oc(C[N@H+](C)C[C@H]2C(C)=CCC[C@H]2C)cc1C(=O)[O-] ZINC001339119270 962002885 /nfs/dbraw/zinc/00/28/85/962002885.db2.gz WSEWFIADQPSXRE-WBMJQRKESA-N 0 1 291.391 3.710 20 0 CHADMN CO[C@@H](C)c1noc(CN[C@H](CCC(C)C)C(C)(C)C)n1 ZINC000179909684 1117915624 /nfs/dbraw/zinc/91/56/24/1117915624.db2.gz XWTBUMBQFMOXPN-QWHCGFSZSA-N 0 1 297.443 3.718 20 0 CHADMN CCN(Cc1nc(-c2cccs2)oc1C)C1CC1 ZINC000130222343 1125480978 /nfs/dbraw/zinc/48/09/78/1125480978.db2.gz IADQFFQJXSWSIV-UHFFFAOYSA-N 0 1 262.378 3.696 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@@H]1CCCc2scnc21 ZINC000623960787 1117962604 /nfs/dbraw/zinc/96/26/04/1117962604.db2.gz HMOAJRVARZKWNO-DTWKUNHWSA-N 0 1 278.343 3.841 20 0 CHADMN C/C(=C\C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC001349581711 962472746 /nfs/dbraw/zinc/47/27/46/962472746.db2.gz QVAZZDJMGBBLLA-DPQIITEBSA-N 0 1 279.767 3.508 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1csc(-c2ccccn2)n1 ZINC000111691244 1125482967 /nfs/dbraw/zinc/48/29/67/1125482967.db2.gz SFOMIHYZMHJHPF-CHWSQXEVSA-N 0 1 287.432 3.968 20 0 CHADMN C[C@@H]1CCCC[N@H+](Cc2cccc([O-])c2Br)C1 ZINC000705477552 1117972950 /nfs/dbraw/zinc/97/29/50/1117972950.db2.gz OPOPBNHSUVHJPV-LLVKDONJSA-N 0 1 298.224 3.777 20 0 CHADMN C[C@@H]1CCCC[N@@H+](Cc2cccc([O-])c2Br)C1 ZINC000705477552 1117972955 /nfs/dbraw/zinc/97/29/55/1117972955.db2.gz OPOPBNHSUVHJPV-LLVKDONJSA-N 0 1 298.224 3.777 20 0 CHADMN C[C@@]([NH2+]Cc1coc2ccccc12)(C(=O)[O-])c1ccccc1 ZINC001350602095 962548985 /nfs/dbraw/zinc/54/89/85/962548985.db2.gz SUWHNZOHPLCMGH-SFHVURJKSA-N 0 1 295.338 3.522 20 0 CHADMN C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001549897358 962970555 /nfs/dbraw/zinc/97/05/55/962970555.db2.gz USFYLIGDXPWESP-XVSDVWIESA-N 0 1 299.414 3.566 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1ccccc1C1CC1 ZINC000316789656 964054509 /nfs/dbraw/zinc/05/45/09/964054509.db2.gz QWHYLTVCXHECBW-UHFFFAOYSA-N 0 1 295.382 3.894 20 0 CHADMN CCc1nc([C@H](C)SC2CCC(F)(F)CC2)n[nH]1 ZINC000901741787 1118046824 /nfs/dbraw/zinc/04/68/24/1118046824.db2.gz XUOHOPCZYXVUKC-QMMMGPOBSA-N 0 1 275.368 3.739 20 0 CHADMN CC(C)C(C[N@H+]1CCCC[C@H]1CCC(=O)[O-])C(C)C ZINC000381779285 968092830 /nfs/dbraw/zinc/09/28/30/968092830.db2.gz DDMFDZUMLLYZQL-AWEZNQCLSA-N 0 1 269.429 3.634 20 0 CHADMN C[C@@H](C[N@H+]1CCCC[C@H]1CCC(=O)[O-])c1ccc(F)cc1 ZINC000901999066 969504994 /nfs/dbraw/zinc/50/49/94/969504994.db2.gz XEKOVNZPEDFABP-BBRMVZONSA-N 0 1 293.382 3.649 20 0 CHADMN CC[C@H](C)[C@@H](C)[N@@H+](CCC1(C(=O)[O-])CCC1)C1CC1 ZINC000903696600 969590307 /nfs/dbraw/zinc/59/03/07/969590307.db2.gz YECXHNWLAOSNGJ-QWHCGFSZSA-N 0 1 267.413 3.530 20 0 CHADMN CC[C@@H](C)[C@H](C)[N@@H+](CCC1(C(=O)[O-])CCC1)C1CC1 ZINC000903696599 969590943 /nfs/dbraw/zinc/59/09/43/969590943.db2.gz YECXHNWLAOSNGJ-OLZOCXBDSA-N 0 1 267.413 3.530 20 0 CHADMN C[C@]1(Cc2cccc(Cl)c2)CCC[N@H+]1CCCC(=O)[O-] ZINC001603342089 972745202 /nfs/dbraw/zinc/74/52/02/972745202.db2.gz WUOZSAHBSZFKQB-MRXNPFEDSA-N 0 1 295.810 3.602 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccc(C(=O)[O-])s1)C(C)(C)C ZINC000399415766 973219503 /nfs/dbraw/zinc/21/95/03/973219503.db2.gz XOVDVERMJRVDMS-JTQLQIEISA-N 0 1 269.410 3.560 20 0 CHADMN C[C@H](C[N@@H+](CCC(C)(C)C)Cc1ccccc1)C(=O)[O-] ZINC000514610245 974289832 /nfs/dbraw/zinc/28/98/32/974289832.db2.gz QWMQQXNMGZSDKX-CQSZACIVSA-N 0 1 277.408 3.646 20 0 CHADMN CC(C)[N@H+](Cc1c(Cl)cccc1C(=O)[O-])CC1CC1 ZINC000515174920 974296293 /nfs/dbraw/zinc/29/62/93/974296293.db2.gz WBDYURRKXHFDPQ-UHFFFAOYSA-N 0 1 281.783 3.659 20 0 CHADMN CC1(C)[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000515490301 974299293 /nfs/dbraw/zinc/29/92/93/974299293.db2.gz LZTVDPKOJQLZBK-OAHLLOKOSA-N 0 1 299.370 3.746 20 0 CHADMN C[C@@H]1CC(C)(C)C[N@H+]1[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000520823461 974341464 /nfs/dbraw/zinc/34/14/64/974341464.db2.gz GVJSFMLKNFWYOY-RNCFNFMXSA-N 0 1 299.773 3.725 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1occc1C(=O)[O-])C1CCCCC1 ZINC000530171854 974361534 /nfs/dbraw/zinc/36/15/34/974361534.db2.gz CGVPETJZCKSYIX-LBPRGKRZSA-N 0 1 279.380 3.626 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1ccc(F)cc1Cl ZINC000530180208 974364785 /nfs/dbraw/zinc/36/47/85/974364785.db2.gz UYEAFDBDBQJPFA-PEGIJTEDSA-N 0 1 299.773 3.553 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000563966530 974542300 /nfs/dbraw/zinc/54/23/00/974542300.db2.gz KTYWLJPYXZRQHE-ZDUSSCGKSA-N 0 1 291.372 3.685 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000565541999 974584029 /nfs/dbraw/zinc/58/40/29/974584029.db2.gz BVYKNEHQCFOBNG-INIZCTEOSA-N 0 1 285.343 3.623 20 0 CHADMN CC[C@]1(C)CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C)C1 ZINC000566358828 974607449 /nfs/dbraw/zinc/60/74/49/974607449.db2.gz MNDKDJABHDDNSC-NVXWUHKLSA-N 0 1 275.392 3.633 20 0 CHADMN C[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000566358462 974607718 /nfs/dbraw/zinc/60/77/18/974607718.db2.gz WYKBYVIHYWXWNY-YGRLFVJLSA-N 0 1 299.773 3.727 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+]([C@H](CC(C)C)C(=O)[O-])C1 ZINC000566364104 974610582 /nfs/dbraw/zinc/61/05/82/974610582.db2.gz YNLWYQPFWWFEOB-ZMSDIMECSA-N 0 1 289.419 3.672 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCCC2(CCCCC2)C1 ZINC000566683657 974619726 /nfs/dbraw/zinc/61/97/26/974619726.db2.gz HGOQYTBHCWVVIG-AWEZNQCLSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1cc([C@@H](C)[N@@H+](C)Cc2cccc(C)c2)oc1C(=O)[O-] ZINC000568059707 974655888 /nfs/dbraw/zinc/65/58/88/974655888.db2.gz JIYATVLIXXFRCT-CYBMUJFWSA-N 0 1 287.359 3.788 20 0 CHADMN O=C([O-])c1occc1C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000568060042 974655968 /nfs/dbraw/zinc/65/59/68/974655968.db2.gz OWFIJNBOHAHKHN-MRXNPFEDSA-N 0 1 299.370 3.575 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000568639187 974675392 /nfs/dbraw/zinc/67/53/92/974675392.db2.gz NLEBSFMROHMCBR-UHFFFAOYSA-N 0 1 299.370 3.780 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000569129070 974684504 /nfs/dbraw/zinc/68/45/04/974684504.db2.gz LOXLFUDXKCBTMH-LBPRGKRZSA-N 0 1 281.421 3.847 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](Cc2cc(C(=O)[O-])oc2C)C1 ZINC000569251021 974688018 /nfs/dbraw/zinc/68/80/18/974688018.db2.gz GICMIHXFIVBBRL-INIZCTEOSA-N 0 1 279.380 3.688 20 0 CHADMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000570220553 974707957 /nfs/dbraw/zinc/70/79/57/974707957.db2.gz VIVSJKJCSNJBQO-ZYHUDNBSSA-N 0 1 281.783 3.801 20 0 CHADMN Cc1oc(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC000573259356 974763020 /nfs/dbraw/zinc/76/30/20/974763020.db2.gz TXTRNDHVSPNWNA-PEYYIBSZSA-N 0 1 291.391 3.687 20 0 CHADMN Cc1oc(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC000573259357 974763342 /nfs/dbraw/zinc/76/33/42/974763342.db2.gz TXTRNDHVSPNWNA-PJODQICGSA-N 0 1 291.391 3.687 20 0 CHADMN Cc1oc(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)cc1C(=O)[O-] ZINC000573259358 974763749 /nfs/dbraw/zinc/76/37/49/974763749.db2.gz TXTRNDHVSPNWNA-SGIREYDYSA-N 0 1 291.391 3.687 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000573498729 974766486 /nfs/dbraw/zinc/76/64/86/974766486.db2.gz BDURYUKWQXGWQN-HYVNUMGLSA-N 0 1 289.419 3.755 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccoc2C(=O)[O-])c1 ZINC000575065594 974794746 /nfs/dbraw/zinc/79/47/46/974794746.db2.gz RQOSQRXLSUEPPX-HNNXBMFYSA-N 0 1 285.343 3.623 20 0 CHADMN C[C@H]1CCC[C@H](C)[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000580336538 974892919 /nfs/dbraw/zinc/89/29/19/974892919.db2.gz REUDVZPAMLTPKE-RYUDHWBXSA-N 0 1 279.355 3.534 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])[C@@H]1C=CCCC1 ZINC000583824129 974946179 /nfs/dbraw/zinc/94/61/79/974946179.db2.gz UCOWBFKEWWDYBH-HZPDHXFCSA-N 0 1 273.376 3.633 20 0 CHADMN O=C([O-])C[N@@H+](CCSC1CCCCC1)C1CCCCC1 ZINC000593746450 974986893 /nfs/dbraw/zinc/98/68/93/974986893.db2.gz PKEGNFPLZVWXGC-UHFFFAOYSA-N 0 1 299.480 3.772 20 0 CHADMN CCC[C@@H](C)CCC[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000629360398 975082499 /nfs/dbraw/zinc/08/24/99/975082499.db2.gz QDOJKWNJPKYSNH-PBHICJAKSA-N 0 1 289.419 3.887 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])sc2C)C1 ZINC000629375908 975090438 /nfs/dbraw/zinc/09/04/38/975090438.db2.gz PEIKMSCXYMCVNN-DHCBQETCSA-N 0 1 293.432 3.933 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000629376697 975090771 /nfs/dbraw/zinc/09/07/71/975090771.db2.gz ZTQMIEFMWWQUQB-VMDGIJPJSA-N 0 1 291.366 3.630 20 0 CHADMN C[C@H](C[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(F)cc1)C(C)(C)C ZINC000634697532 975275092 /nfs/dbraw/zinc/27/50/92/975275092.db2.gz LNSHFBDDDJIARX-BXUZGUMPSA-N 0 1 281.371 3.565 20 0 CHADMN O=C([O-])[C@@H](c1ccsc1)[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000634697958 975276216 /nfs/dbraw/zinc/27/62/16/975276216.db2.gz WTAFIAZOKXPRED-UKRRQHHQSA-N 0 1 293.432 3.776 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C1CC1)C1CCCCC1 ZINC000652401101 975522358 /nfs/dbraw/zinc/52/23/58/975522358.db2.gz KAMFPOICLRAPNT-UHFFFAOYSA-N 0 1 291.391 3.837 20 0 CHADMN CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1(C(=O)[O-])CC1 ZINC000652403739 975522372 /nfs/dbraw/zinc/52/23/72/975522372.db2.gz HHKLZGVBKZBZND-JKSUJKDBSA-N 0 1 287.403 3.509 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@@H]2C2CCC2)c(F)c1 ZINC000652415472 975526175 /nfs/dbraw/zinc/52/61/75/975526175.db2.gz VOVYPHSAXLLPEI-MRXNPFEDSA-N 0 1 291.366 3.679 20 0 CHADMN CCC(C)(C)CC[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000652498700 975561518 /nfs/dbraw/zinc/56/15/18/975561518.db2.gz QDVOAIGINIKCLB-ZDUSSCGKSA-N 0 1 269.429 3.636 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCCC2(CCCC2)CC1 ZINC000656759015 975686919 /nfs/dbraw/zinc/68/69/19/975686919.db2.gz SWXAFQSCKQKPNQ-CQSZACIVSA-N 0 1 267.413 3.676 20 0 CHADMN O=C([O-])[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H](CCF)C1 ZINC000656762195 975688193 /nfs/dbraw/zinc/68/81/93/975688193.db2.gz AMAQVPURKGEUSH-SMDDNHRTSA-N 0 1 299.773 3.537 20 0 CHADMN Cc1oc(C[N@H+]2CCC(C)(C)CC(C)(C)C2)cc1C(=O)[O-] ZINC000656763026 975691108 /nfs/dbraw/zinc/69/11/08/975691108.db2.gz JZEKRBYEAYFZNC-UHFFFAOYSA-N 0 1 293.407 3.934 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2=CCCCC2)[C@H]2CCCC[C@H]12 ZINC000656764331 975694601 /nfs/dbraw/zinc/69/46/01/975694601.db2.gz GBXFCCRXNKRSMA-ZACQAIPSSA-N 0 1 291.435 3.842 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC23CCC(CC2)C3)[C@H]2CCCC[C@H]12 ZINC000656764745 975697373 /nfs/dbraw/zinc/69/73/73/975697373.db2.gz HEAWHCDEFCKNNT-YLADIXGZSA-N 0 1 291.435 3.532 20 0 CHADMN CC[C@H](CC(F)F)C[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000659789954 975875570 /nfs/dbraw/zinc/87/55/70/975875570.db2.gz XCKZQJBTVDMDTP-CYBMUJFWSA-N 0 1 299.361 3.645 20 0 CHADMN O=C([O-])CC[N@@H+](Cc1ccccc1)CC12CCC(CC1)C2 ZINC000659790905 975878693 /nfs/dbraw/zinc/87/86/93/975878693.db2.gz ZXCGXBDKSPHORG-UHFFFAOYSA-N 0 1 287.403 3.544 20 0 CHADMN CC(C)(C)c1cccc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000662212536 975899453 /nfs/dbraw/zinc/89/94/53/975899453.db2.gz CPAVQVQGYPUSAH-MRXNPFEDSA-N 0 1 289.419 3.813 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701834198 977048906 /nfs/dbraw/zinc/04/89/06/977048906.db2.gz OEAZWCNQEZQAED-OAHLLOKOSA-N 0 1 275.392 3.848 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000708397308 977427052 /nfs/dbraw/zinc/42/70/52/977427052.db2.gz BEWYKXFODSDEQG-LBPRGKRZSA-N 0 1 281.421 3.704 20 0 CHADMN CC[N@@H+](Cc1cccs1)Cc1cc(C(=O)[O-])cs1 ZINC000711379999 977539510 /nfs/dbraw/zinc/53/95/10/977539510.db2.gz XYHMCWJBNZUSEQ-UHFFFAOYSA-N 0 1 281.402 3.530 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722635171 978155481 /nfs/dbraw/zinc/15/54/81/978155481.db2.gz KSQLBEKYDCWYFE-KYOSRNDESA-N 0 1 295.810 3.834 20 0 CHADMN C/C(=C/C[N@@H+](CCc1ccccc1)C1CCCC1)C(=O)[O-] ZINC000846245034 979422089 /nfs/dbraw/zinc/42/20/89/979422089.db2.gz XFRLDMVLNLVDGZ-PTNGSMBKSA-N 0 1 287.403 3.505 20 0 CHADMN C/C(=C\C[N@H+]1CCCCC[C@@H]1/C=C\c1ccccc1)C(=O)[O-] ZINC000846256314 979427867 /nfs/dbraw/zinc/42/78/67/979427867.db2.gz MIQUFSAOXRDHCU-LKDDIZCCSA-N 0 1 299.414 3.975 20 0 CHADMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(-c2cccs2)cc1 ZINC000846267254 979435351 /nfs/dbraw/zinc/43/53/51/979435351.db2.gz PQJLWOXIYHNXLP-UHFFFAOYSA-N 0 1 289.400 3.710 20 0 CHADMN CCC(CC)[N@@H+](CC)Cc1ccc(C(=O)[O-])c(C)c1 ZINC001595114429 979465418 /nfs/dbraw/zinc/46/54/18/979465418.db2.gz MGQXKDMMXYAPOZ-UHFFFAOYSA-N 0 1 263.381 3.704 20 0 CHADMN Cc1ccc(NC(=O)c2c(O)cccc2Cl)cc1 ZINC000049082378 1118423950 /nfs/dbraw/zinc/42/39/50/1118423950.db2.gz WHIPODQVRLTSTE-UHFFFAOYSA-N 0 1 261.708 3.606 20 0 CHADMN FC(F)c1ccc(CN2CCCC(F)(F)CC2)cn1 ZINC000639348232 1118443986 /nfs/dbraw/zinc/44/39/86/1118443986.db2.gz CZTFOUKHKRXDNR-UHFFFAOYSA-N 0 1 276.277 3.640 20 0 CHADMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000872159166 980041468 /nfs/dbraw/zinc/04/14/68/980041468.db2.gz PCKKMUBWEZVGPE-RISCZKNCSA-N 0 1 281.421 3.847 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000872159167 980042081 /nfs/dbraw/zinc/04/20/81/980042081.db2.gz PCKKMUBWEZVGPE-SMDDNHRTSA-N 0 1 281.421 3.847 20 0 CHADMN C[C@H](C[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1)C(C)(C)C ZINC000872159350 980043800 /nfs/dbraw/zinc/04/38/00/980043800.db2.gz DFZLWUASOAUNKN-GFCCVEGCSA-N 0 1 297.826 3.909 20 0 CHADMN O=C([O-])c1csc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)c1 ZINC000872163014 980053994 /nfs/dbraw/zinc/05/39/94/980053994.db2.gz SLBZGIRLHOWMKG-CYBMUJFWSA-N 0 1 293.432 3.849 20 0 CHADMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000901438809 980287627 /nfs/dbraw/zinc/28/76/27/980287627.db2.gz ZOPFTYVCWCAOAQ-QWHCGFSZSA-N 0 1 299.370 3.875 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])c(CC)o2)C1 ZINC000901542295 980370732 /nfs/dbraw/zinc/37/07/32/980370732.db2.gz COIIHFAANFQUHJ-MASHWEEQSA-N 0 1 291.391 3.718 20 0 CHADMN C[C@H]1CCCC[C@@H]1C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000901744842 980474663 /nfs/dbraw/zinc/47/46/63/980474663.db2.gz LLWZSNBPNRTAQE-XJKSGUPXSA-N 0 1 287.403 3.569 20 0 CHADMN CCN(Cc1c(F)cc(C)cc1Cl)C[C@@H]1CCOC1 ZINC000656415835 1118542843 /nfs/dbraw/zinc/54/28/43/1118542843.db2.gz RTIKEXRLJURGIW-LBPRGKRZSA-N 0 1 285.790 3.646 20 0 CHADMN CC(C)c1ccc(CC[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000901992552 980672189 /nfs/dbraw/zinc/67/21/89/980672189.db2.gz DEYFLQOKUHEPMI-CQSZACIVSA-N 0 1 289.419 3.538 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000901992605 980672610 /nfs/dbraw/zinc/67/26/10/980672610.db2.gz KAURQZUIBNGBOS-LBPRGKRZSA-N 0 1 295.810 3.642 20 0 CHADMN CC1(C)CCC[C@@H](C[N@H+]2CCCCC[C@H]2C(=O)[O-])C1 ZINC000902035129 980706445 /nfs/dbraw/zinc/70/64/45/980706445.db2.gz OTJJNWOULGDJIL-KGLIPLIRSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1ccc(C)o1 ZINC001595362654 980773633 /nfs/dbraw/zinc/77/36/33/980773633.db2.gz MDFDLWDPLAJYRK-INIZCTEOSA-N 0 1 287.359 3.626 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1ccc(C)o1 ZINC001595362654 980773639 /nfs/dbraw/zinc/77/36/39/980773639.db2.gz MDFDLWDPLAJYRK-INIZCTEOSA-N 0 1 287.359 3.626 20 0 CHADMN Cc1oc(C[N@H+]2CCC=C(c3ccccc3)C2)cc1C(=O)[O-] ZINC000902325042 980833993 /nfs/dbraw/zinc/83/39/93/980833993.db2.gz INKPXPLQEAYREQ-UHFFFAOYSA-N 0 1 297.354 3.576 20 0 CHADMN CC(C)(CC[N@H+]1CCCC2(CCCCC2)CC1)C(=O)[O-] ZINC000902325749 980834044 /nfs/dbraw/zinc/83/40/44/980834044.db2.gz OOWUFDVICGYPOA-UHFFFAOYSA-N 0 1 281.440 3.924 20 0 CHADMN CC[C@@H](C)C[N@@H+](CC)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000902397061 980869427 /nfs/dbraw/zinc/86/94/27/980869427.db2.gz IYZOPUYZUWSDFD-LLVKDONJSA-N 0 1 283.799 3.906 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000902525254 980920568 /nfs/dbraw/zinc/92/05/68/980920568.db2.gz VOEBCVAKYMYLKW-MRXNPFEDSA-N 0 1 291.435 3.749 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000902525252 980921106 /nfs/dbraw/zinc/92/11/06/980921106.db2.gz VOEBCVAKYMYLKW-INIZCTEOSA-N 0 1 291.435 3.749 20 0 CHADMN CC[C@@H](Cc1ccccc1)[N@@H+](CC)CCC(C)(C)C(=O)[O-] ZINC000902525451 980921965 /nfs/dbraw/zinc/92/19/65/980921965.db2.gz WNOCSBPBNZEEIM-INIZCTEOSA-N 0 1 291.435 3.831 20 0 CHADMN CC(C)(CC[N@H+]1CC(C)(C)C[C@@H]1c1ccccc1)C(=O)[O-] ZINC000902533873 980925621 /nfs/dbraw/zinc/92/56/21/980925621.db2.gz AFRDQVDMABTHAP-OAHLLOKOSA-N 0 1 289.419 3.961 20 0 CHADMN CC(C)(CC[N@H+]1CC(C)(C)C[C@H]1c1ccccc1)C(=O)[O-] ZINC000902533872 980925959 /nfs/dbraw/zinc/92/59/59/980925959.db2.gz AFRDQVDMABTHAP-HNNXBMFYSA-N 0 1 289.419 3.961 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCc2c(cccc2C(C)C)C1 ZINC000903597276 980980619 /nfs/dbraw/zinc/98/06/19/980980619.db2.gz KXFTZWLMJFKCIA-GUYCJALGSA-N 0 1 289.419 3.667 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCc2c(cccc2C(C)C)C1 ZINC000903597278 980980838 /nfs/dbraw/zinc/98/08/38/980980838.db2.gz KXFTZWLMJFKCIA-SUMWQHHRSA-N 0 1 289.419 3.667 20 0 CHADMN CCc1ccc2ccccc2c1C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000903601813 980983819 /nfs/dbraw/zinc/98/38/19/980983819.db2.gz OQFMGRDJOCULLL-MRXNPFEDSA-N 0 1 297.398 3.841 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1 ZINC000903629855 981005936 /nfs/dbraw/zinc/00/59/36/981005936.db2.gz ZWPUHNZFOFDZKT-JKIFEVAISA-N 0 1 289.419 3.914 20 0 CHADMN C[C@@H]1CCCC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC000903896895 981027544 /nfs/dbraw/zinc/02/75/44/981027544.db2.gz XDKWSMVEBGHUBG-CYBMUJFWSA-N 0 1 298.386 3.555 20 0 CHADMN CCC[C@H](C)CCC[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905371643 981094290 /nfs/dbraw/zinc/09/42/90/981094290.db2.gz GPAVYWWUFYZCBD-GOEBONIOSA-N 0 1 277.408 3.961 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595574819 981493373 /nfs/dbraw/zinc/49/33/73/981493373.db2.gz XSFJRUCFISWYSG-SRVKXCTJSA-N 0 1 296.436 3.803 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@@H](C)c1cnc(C)s1 ZINC000090400029 1118641999 /nfs/dbraw/zinc/64/19/99/1118641999.db2.gz XDZOQTNUCKMFJN-MNOVXSKESA-N 0 1 276.405 3.872 20 0 CHADMN CC[C@](C)(C(=O)[O-])[N@@H+](CCCC1CCC1)CC1CC1 ZINC001594788330 981835588 /nfs/dbraw/zinc/83/55/88/981835588.db2.gz VAAPZSTXZRIQDU-MRXNPFEDSA-N 0 1 267.413 3.532 20 0 CHADMN CCCC[C@@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001595631314 981836452 /nfs/dbraw/zinc/83/64/52/981836452.db2.gz KNQLHEGTFWHERW-GFCCVEGCSA-N 0 1 280.412 3.847 20 0 CHADMN CCCC[N@@H+](Cc1cc(C(=O)[O-])no1)[C@@H]1CCC[C@@H](C)C1 ZINC001595749297 982422619 /nfs/dbraw/zinc/42/26/19/982422619.db2.gz WHCHZPPINUYNJE-CHWSQXEVSA-N 0 1 294.395 3.554 20 0 CHADMN CCCC[N@@H+](Cc1cc(C(=O)[O-])no1)[C@H]1CCC[C@@H](C)C1 ZINC001595749298 982422635 /nfs/dbraw/zinc/42/26/35/982422635.db2.gz WHCHZPPINUYNJE-OLZOCXBDSA-N 0 1 294.395 3.554 20 0 CHADMN CCCC[N@@H+](Cc1cc(C(=O)[O-])co1)C1CCCCC1 ZINC001595749307 982422708 /nfs/dbraw/zinc/42/27/08/982422708.db2.gz WORGKXFNLKOXSL-UHFFFAOYSA-N 0 1 279.380 3.913 20 0 CHADMN CCC[N@@H+](CC)[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001595864843 982818576 /nfs/dbraw/zinc/81/85/76/982818576.db2.gz JERKKUCSKRTSNV-LBPRGKRZSA-N 0 1 289.297 3.563 20 0 CHADMN CCC[N@@H+](CCCCC(=O)[O-])[C@@H](C)c1ccccc1OC ZINC001595879380 982880835 /nfs/dbraw/zinc/88/08/35/982880835.db2.gz LPHGTPUBBDAIJW-AWEZNQCLSA-N 0 1 293.407 3.723 20 0 CHADMN CCC[N@H+](Cc1cc(C(=O)[O-])ccc1Cl)CC(C)C ZINC001595885835 982910069 /nfs/dbraw/zinc/91/00/69/982910069.db2.gz ITOFOQXYFYEDEB-UHFFFAOYSA-N 0 1 283.799 3.906 20 0 CHADMN CCC[N@@H+](Cc1ccc(C(=O)[O-])o1)[C@@H]1CCc2ccccc21 ZINC001595888543 982918214 /nfs/dbraw/zinc/91/82/14/982918214.db2.gz MIBLSPSXTZLNTB-MRXNPFEDSA-N 0 1 299.370 3.877 20 0 CHADMN Fc1cc(F)c(CN2C[C@@H]3CCCC[C@H]3C2)c(F)c1 ZINC001140529440 1118950995 /nfs/dbraw/zinc/95/09/95/1118950995.db2.gz CCGWKBJWFBXNPL-QWRGUYRKSA-N 0 1 269.310 3.726 20 0 CHADMN CC[N@@H+](CC1CCC1)[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001596294045 983714336 /nfs/dbraw/zinc/71/43/36/983714336.db2.gz BECAGYWQZYFLOA-AWEZNQCLSA-N 0 1 281.783 3.588 20 0 CHADMN CC[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)C1)C(C)(C)C(=O)[O-] ZINC001596350484 983802638 /nfs/dbraw/zinc/80/26/38/983802638.db2.gz FJBHKXKZUGIWFH-GDBMZVCRSA-N 0 1 289.419 3.755 20 0 CHADMN C/C(=C\C[N@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC001588958052 984709676 /nfs/dbraw/zinc/70/96/76/984709676.db2.gz AUYDYEAGQYRHBM-SCZPIIQISA-N 0 1 287.403 3.533 20 0 CHADMN Cc1nc(CN2CCC[C@](C)(c3ccccc3)C2)oc1C ZINC000113265410 1125493032 /nfs/dbraw/zinc/49/30/32/1125493032.db2.gz AIGNGQGFGUGGLK-SFHVURJKSA-N 0 1 284.403 3.845 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)[C@H]1c1ccccc1 ZINC001594536652 986155423 /nfs/dbraw/zinc/15/54/23/986155423.db2.gz FFRHCKHSZHQHTA-VASKQELCSA-N 0 1 297.354 3.570 20 0 CHADMN FC1(F)CCC[C@@H]1NCCCCOc1ccccc1 ZINC000685473046 1119613268 /nfs/dbraw/zinc/61/32/68/1119613268.db2.gz GARCRYWYOILEET-AWEZNQCLSA-N 0 1 269.335 3.623 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2CC(=O)c2ccccc2)nc1 ZINC000131856589 1125497127 /nfs/dbraw/zinc/49/71/27/1125497127.db2.gz DNMWUCXDZYYSOG-GOSISDBHSA-N 0 1 294.398 3.627 20 0 CHADMN Cc1ncc([C@H](C)N(C)[C@@H](C)c2cccs2)c(C)n1 ZINC000637919114 1129236882 /nfs/dbraw/zinc/23/68/82/1129236882.db2.gz JJRRDXBSNXWGRE-RYUDHWBXSA-N 0 1 275.421 3.909 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2ccccc2CC(=O)[O-])C1 ZINC001589732201 987956382 /nfs/dbraw/zinc/95/63/82/987956382.db2.gz GYORSMMVRAOSDD-MRXNPFEDSA-N 0 1 289.419 3.572 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC001589732405 987960418 /nfs/dbraw/zinc/96/04/18/987960418.db2.gz KRSYZJMSGXFGSG-IUODEOHRSA-N 0 1 293.382 3.710 20 0 CHADMN CC(C)(C)C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC001589764747 988107800 /nfs/dbraw/zinc/10/78/00/988107800.db2.gz VTUWKYAOHILWRE-SWLSCSKDSA-N 0 1 293.382 3.710 20 0 CHADMN C[C@H](CC1CCCC1)NCc1nccc(C(F)(F)F)n1 ZINC000414230597 1119948257 /nfs/dbraw/zinc/94/82/57/1119948257.db2.gz AZHFZHHSPQYHNU-SNVBAGLBSA-N 0 1 287.329 3.554 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+](C)[C@H]1CCCC[C@H]1CC ZINC001597761409 989187801 /nfs/dbraw/zinc/18/78/01/989187801.db2.gz CSVUGKVTVXNSMA-OCCSQVGLSA-N 0 1 293.407 3.941 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC001597763288 989204812 /nfs/dbraw/zinc/20/48/12/989204812.db2.gz UTFAZCFATKWRBA-YUTCNCBUSA-N 0 1 291.391 3.551 20 0 CHADMN C[C@@H](NCc1cnc(C2CC2)nc1)c1ccc(Cl)cc1 ZINC000459362167 1125505894 /nfs/dbraw/zinc/50/58/94/1125505894.db2.gz GZNAJEHYBGQJMN-LLVKDONJSA-N 0 1 287.794 3.858 20 0 CHADMN CC[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccc(F)cn1 ZINC000414286654 1119966686 /nfs/dbraw/zinc/96/66/86/1119966686.db2.gz NJIOWVCCIYBPQP-JHJVBQTASA-N 0 1 254.324 3.542 20 0 CHADMN C[C@@H]1c2ccccc2C[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC001599883213 989513359 /nfs/dbraw/zinc/51/33/59/989513359.db2.gz FYSTVBGMZXLBDD-LLVKDONJSA-N 0 1 285.318 3.601 20 0 CHADMN C[C@@H]1c2ccccc2C[N@@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC001599883213 989513366 /nfs/dbraw/zinc/51/33/66/989513366.db2.gz FYSTVBGMZXLBDD-LLVKDONJSA-N 0 1 285.318 3.601 20 0 CHADMN CC(C)Cc1ncc(CN2CCCC(F)(F)CC2)s1 ZINC000628422066 1120042336 /nfs/dbraw/zinc/04/23/36/1120042336.db2.gz LBAAMVNRAVUKFD-UHFFFAOYSA-N 0 1 288.407 3.963 20 0 CHADMN CCSCCN(C)Cc1ccccc1OC(F)(F)F ZINC000303745089 1120182155 /nfs/dbraw/zinc/18/21/55/1120182155.db2.gz FTLUATKKKNILHS-UHFFFAOYSA-N 0 1 293.354 3.770 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC001591119682 991788507 /nfs/dbraw/zinc/78/85/07/991788507.db2.gz FLHZPYHRHWAYST-ZFWWWQNUSA-N 0 1 291.391 3.696 20 0 CHADMN CCOc1ccc2nc(S[C@@H](C)CC)[nH]c2c1 ZINC000303947212 1120189356 /nfs/dbraw/zinc/18/93/56/1120189356.db2.gz ZSTWPBOCVKRUFX-VIFPVBQESA-N 0 1 250.367 3.852 20 0 CHADMN CC(C)C[C@H]1CCC[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001591207277 992038575 /nfs/dbraw/zinc/03/85/75/992038575.db2.gz HKJLMVJYAZUBPT-HSBSLETESA-N 0 1 291.391 3.636 20 0 CHADMN CC(C)CCC1CC[NH+]([C@H](C)c2nc(C(=O)[O-])co2)CC1 ZINC001591228622 992105095 /nfs/dbraw/zinc/10/50/95/992105095.db2.gz SQTJVLUYUZAPIN-GFCCVEGCSA-N 0 1 294.395 3.582 20 0 CHADMN CC(C)C[N@@H+](Cc1ccccc1CC(=O)[O-])CC(C)(C)C ZINC001591343977 992326998 /nfs/dbraw/zinc/32/69/98/992326998.db2.gz KCTPJNNTCIVGGY-UHFFFAOYSA-N 0 1 291.435 3.818 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)[C@@H]1CCC(C)(C)C1 ZINC001598509135 992546003 /nfs/dbraw/zinc/54/60/03/992546003.db2.gz BZKOTHWYLCVUKK-GFCCVEGCSA-N 0 1 279.355 3.534 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])o1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001598516154 992619248 /nfs/dbraw/zinc/61/92/48/992619248.db2.gz DZGKVRGPRPINBB-OLZOCXBDSA-N 0 1 279.380 3.624 20 0 CHADMN CC(C)[N@@H+](Cc1occc1C(=O)[O-])[C@@H](C)c1ccccc1 ZINC001591604553 992844917 /nfs/dbraw/zinc/84/49/17/992844917.db2.gz XPYBWZDGXDVJNS-ZDUSSCGKSA-N 0 1 287.359 3.949 20 0 CHADMN CC[C@H](F)CN(C)[C@@H](CC)c1ccccc1OC ZINC000672577338 1120328223 /nfs/dbraw/zinc/32/82/23/1120328223.db2.gz MRWLOKGGYDEVTM-JSGCOSHPSA-N 0 1 253.361 3.826 20 0 CHADMN CC[C@H]1CC[C@H]1NCc1c(F)c(F)cc(F)c1F ZINC000672605869 1120332794 /nfs/dbraw/zinc/33/27/94/1120332794.db2.gz YASQKYGEEAIJGN-WRWORJQWSA-N 0 1 261.262 3.521 20 0 CHADMN CC[C@H](NCc1cnc(C)s1)c1ccsc1 ZINC000382092353 1120353385 /nfs/dbraw/zinc/35/33/85/1120353385.db2.gz HODMMNLIDXZRLO-LBPRGKRZSA-N 0 1 252.408 3.754 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1nc2c(s1)CCCC2)CC(C)C ZINC000417367960 1120438638 /nfs/dbraw/zinc/43/86/38/1120438638.db2.gz OILJVUURBDENNS-QWHCGFSZSA-N 0 1 296.480 3.734 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001593698360 996163276 /nfs/dbraw/zinc/16/32/76/996163276.db2.gz HQSRBSQEIFLRCA-YHAQOWFVSA-N 0 1 299.773 3.583 20 0 CHADMN C[C@H]1C[C@]1(NCc1ccco1)c1ccc(Cl)cc1 ZINC000500393332 1120605702 /nfs/dbraw/zinc/60/57/02/1120605702.db2.gz AZBHXQAVMAWDQE-XHDPSFHLSA-N 0 1 261.752 3.958 20 0 CHADMN Cc1nc(CN2CCC(C)(CC(C)C)CC2)c(C)o1 ZINC000660557991 1120658628 /nfs/dbraw/zinc/65/86/28/1120658628.db2.gz AHMBGOKSEKVOJA-UHFFFAOYSA-N 0 1 264.413 3.940 20 0 CHADMN Cc1ccc(CN(C)CCOc2ccc(Cl)cc2)o1 ZINC000058888503 1121041824 /nfs/dbraw/zinc/04/18/24/1121041824.db2.gz DFWDBNQZCOQIBG-UHFFFAOYSA-N 0 1 279.767 3.752 20 0 CHADMN CCCCN(CC)CC(=O)Nc1cc(Cl)ccc1C ZINC000096970232 1121189647 /nfs/dbraw/zinc/18/96/47/1121189647.db2.gz YOEFESNWSBKEDY-UHFFFAOYSA-N 0 1 282.815 3.709 20 0 CHADMN Cc1ccc(-c2ncc(CN[C@@H](C)CF)s2)cc1 ZINC000288469051 1121198231 /nfs/dbraw/zinc/19/82/31/1121198231.db2.gz OURBSLCFELZKQH-NSHDSACASA-N 0 1 264.369 3.566 20 0 CHADMN CC(C)(C)c1coc(CN[C@H]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000724430182 1121261264 /nfs/dbraw/zinc/26/12/64/1121261264.db2.gz SIKONIQAFCRKOK-AVGNSLFASA-N 0 1 262.397 3.640 20 0 CHADMN CCC[C@H]1CCCN(Cc2cccc(Cl)n2)C1 ZINC000708502694 1121468526 /nfs/dbraw/zinc/46/85/26/1121468526.db2.gz MRBNVAIJOVCKTJ-LBPRGKRZSA-N 0 1 252.789 3.747 20 0 CHADMN Cc1cc(C)cc(C[NH2+]Cc2ccc([O-])c(Cl)c2)c1 ZINC000710346628 1121474705 /nfs/dbraw/zinc/47/47/05/1121474705.db2.gz VDMGXPJGKJOLRZ-UHFFFAOYSA-N 0 1 275.779 3.952 20 0 CHADMN Cc1csc([C@H](C)N[C@@H](C)COc2ccccc2)n1 ZINC000710990077 1121476426 /nfs/dbraw/zinc/47/64/26/1121476426.db2.gz QUEJOEBUDDFGKZ-AAEUAGOBSA-N 0 1 276.405 3.570 20 0 CHADMN COCCN(Cc1ccccc1Cl)[C@H]1CCCSC1 ZINC000433184495 1121610068 /nfs/dbraw/zinc/61/00/68/1121610068.db2.gz WFAWCIASLWRDPA-AWEZNQCLSA-N 0 1 299.867 3.684 20 0 CHADMN Brc1ccc2c(c1)CCN([C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167926133 1121704903 /nfs/dbraw/zinc/70/49/03/1121704903.db2.gz BYTTULYSGVQGEY-AGGWBTHJSA-N 0 1 292.220 3.606 20 0 CHADMN Cc1cc(C(F)(F)F)nn1CN1CCC[C@@H]1CC(C)C ZINC000811738990 1121706842 /nfs/dbraw/zinc/70/68/42/1121706842.db2.gz BOJXXHIQGJOZRV-GFCCVEGCSA-N 0 1 289.345 3.678 20 0 CHADMN CC(C)N(C)Cc1cccc(Br)c1Cl ZINC001180429825 1121984758 /nfs/dbraw/zinc/98/47/58/1121984758.db2.gz GGZVSALWXVEIEZ-UHFFFAOYSA-N 0 1 276.605 3.943 20 0 CHADMN CC[C@@H]1[C@H](C)CCN1Cn1ccn(C(C)C)c1=S ZINC000774619714 1122220258 /nfs/dbraw/zinc/22/02/58/1122220258.db2.gz RCIUFINUNKHSDD-CHWSQXEVSA-N 0 1 267.442 3.678 20 0 CHADMN CCCc1csc(CN(CCOC)C(CC)CC)n1 ZINC000426401138 1122784362 /nfs/dbraw/zinc/78/43/62/1122784362.db2.gz NLUPJJKYCSQNTQ-UHFFFAOYSA-N 0 1 284.469 3.733 20 0 CHADMN Fc1cc(CN2CC[C@H]3CCC[C@H]32)ccc1Br ZINC000426520101 1122812748 /nfs/dbraw/zinc/81/27/48/1122812748.db2.gz DRRAOXAUTFLTQO-BXUZGUMPSA-N 0 1 298.199 3.963 20 0 CHADMN C[C@@H]1CC(C)(C)CC[C@H]1NCc1nnc(C(C)(C)C)o1 ZINC000775707487 1122916574 /nfs/dbraw/zinc/91/65/74/1122916574.db2.gz KWBAJMVFUZJBHI-VXGBXAGGSA-N 0 1 279.428 3.672 20 0 CHADMN CCc1cnc(CN(C)C[C@@H](C)C2CCCCC2)o1 ZINC001196807086 1122934590 /nfs/dbraw/zinc/93/45/90/1122934590.db2.gz JVDTYQKIACNAGL-CYBMUJFWSA-N 0 1 264.413 3.885 20 0 CHADMN Cc1cc(CN2CC[C@@H](C(F)(F)F)C2(C)C)sn1 ZINC000639092833 1123171310 /nfs/dbraw/zinc/17/13/10/1123171310.db2.gz DIYUWPQJVGXSON-SNVBAGLBSA-N 0 1 278.343 3.614 20 0 CHADMN FC(F)(F)CCN1CCCC[C@H]1c1cccnc1 ZINC001202349089 1123197432 /nfs/dbraw/zinc/19/74/32/1123197432.db2.gz UHNPAIBJOZFBGT-LBPRGKRZSA-N 0 1 258.287 3.561 20 0 CHADMN Cc1nnsc1CN[C@H]1CC[C@@H](C)c2ccsc21 ZINC000334530238 1123243760 /nfs/dbraw/zinc/24/37/60/1123243760.db2.gz IFBCDLXDBMZPDR-KCJUWKMLSA-N 0 1 279.434 3.636 20 0 CHADMN CC[C@H](C(=O)OCC(C)(C)CC(F)(F)F)N(CC)CC ZINC000851245307 1123339447 /nfs/dbraw/zinc/33/94/47/1123339447.db2.gz MBKYOKYXYPBUMC-LLVKDONJSA-N 0 1 297.361 3.629 20 0 CHADMN CC[C@@H](C(=O)OCC(C)(C)CC(F)(F)F)N(CC)CC ZINC000851245308 1123339670 /nfs/dbraw/zinc/33/96/70/1123339670.db2.gz MBKYOKYXYPBUMC-NSHDSACASA-N 0 1 297.361 3.629 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2cccc(F)n2)C1 ZINC000851794614 1123380901 /nfs/dbraw/zinc/38/09/01/1123380901.db2.gz URBDHEAMUCRGQC-OAHLLOKOSA-N 0 1 250.361 3.623 20 0 CHADMN Oc1cccc2c1CC[C@H]2NCc1sccc1Cl ZINC000335727989 1123418097 /nfs/dbraw/zinc/41/80/97/1123418097.db2.gz QKXZWAXWEHRXIH-GFCCVEGCSA-N 0 1 279.792 3.884 20 0 CHADMN Cc1csc(CN[C@H]2CCc3ccc(Cl)nc32)c1 ZINC000857913794 1123626053 /nfs/dbraw/zinc/62/60/53/1123626053.db2.gz NTKRQWARDQYVIW-LBPRGKRZSA-N 0 1 278.808 3.882 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@@H]1CCCC[C@@H]1F ZINC000866450770 1124066801 /nfs/dbraw/zinc/06/68/01/1124066801.db2.gz ZGKHTJDZVCFAEX-FPMFFAJLSA-N 0 1 250.361 3.575 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnn1C)c1csc(Cl)c1 ZINC000866613950 1124088769 /nfs/dbraw/zinc/08/87/69/1124088769.db2.gz KDGXXLCPANTCAV-BDAKNGLRSA-N 0 1 269.801 3.547 20 0 CHADMN CCCN(Cc1cnoc1C)Cc1ccc(F)cc1 ZINC000445801325 1124101252 /nfs/dbraw/zinc/10/12/52/1124101252.db2.gz FPOFSDAUALOSQO-UHFFFAOYSA-N 0 1 262.328 3.534 20 0 CHADMN Cc1oncc1CN(C)[C@H](C)c1ccc(C)cc1C ZINC000525833429 1124469990 /nfs/dbraw/zinc/46/99/90/1124469990.db2.gz UGLKSXRTZFJGDZ-CYBMUJFWSA-N 0 1 258.365 3.793 20 0 CHADMN C/C(Cl)=C/CN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000528475189 1124674831 /nfs/dbraw/zinc/67/48/31/1124674831.db2.gz QHLWNGRNCLGPNR-USYJTPIQSA-N 0 1 255.711 3.792 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H](C)C[C@H]2C)c1F ZINC001138119741 1131468830 /nfs/dbraw/zinc/46/88/30/1131468830.db2.gz RFQBRSYKNGBZNV-ZYHUDNBSSA-N 0 1 253.336 3.894 20 0 CHADMN COC[C@@H]1CCCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC000449776597 1124868609 /nfs/dbraw/zinc/86/86/09/1124868609.db2.gz ONUFCORVOKISTJ-GFCCVEGCSA-N 0 1 285.790 3.728 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@H]3CCCC[C@H]32)s1 ZINC000450232763 1124954154 /nfs/dbraw/zinc/95/41/54/1124954154.db2.gz MTJGXEJVXGVAQY-CHWSQXEVSA-N 0 1 279.453 3.816 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)s1 ZINC000877821493 1125087256 /nfs/dbraw/zinc/08/72/56/1125087256.db2.gz BCFJILFWFDWKAF-CABZTGNLSA-N 0 1 293.354 3.598 20 0 CHADMN CC(C)OC1CCN([C@H](C)c2cc(F)ccc2F)CC1 ZINC000530687451 1125172179 /nfs/dbraw/zinc/17/21/79/1125172179.db2.gz PSKVMUVBCPURJQ-GFCCVEGCSA-N 0 1 283.362 3.915 20 0 CHADMN Cc1csc(CN2CCc3c(F)cccc3C2)c1 ZINC001137159449 1125292510 /nfs/dbraw/zinc/29/25/10/1125292510.db2.gz DAADFOIJKUHLCA-UHFFFAOYSA-N 0 1 261.365 3.754 20 0 CHADMN COc1cccc(F)c1CN1C2CCCC1CCC2 ZINC001138385775 1131496720 /nfs/dbraw/zinc/49/67/20/1131496720.db2.gz CDJHXYGPEYWHLI-UHFFFAOYSA-N 0 1 263.356 3.741 20 0 CHADMN CC(C)C(CN(C)Cc1csc(C(C)(C)O)n1)C(C)C ZINC000825158580 1131500799 /nfs/dbraw/zinc/50/07/99/1131500799.db2.gz QVGJINQSWTVCJM-UHFFFAOYSA-N 0 1 298.496 3.731 20 0 CHADMN CCCCN(CCCC)Cc1nc(C(F)(F)F)c[nH]1 ZINC001137016457 1131505112 /nfs/dbraw/zinc/50/51/12/1131505112.db2.gz YFCJAQUEBCPSCE-UHFFFAOYSA-N 0 1 277.334 3.831 20 0 CHADMN CSC1CCN(Cc2cc(F)cc(F)c2C)CC1 ZINC001143764196 1131530111 /nfs/dbraw/zinc/53/01/11/1131530111.db2.gz NCSBQIHDXIVWIL-UHFFFAOYSA-N 0 1 271.376 3.601 20 0 CHADMN CCCN(Cc1cc(F)cnc1Cl)[C@H](C)CC ZINC001138888532 1131558248 /nfs/dbraw/zinc/55/82/48/1131558248.db2.gz HTFUXLPSQIOAPO-SNVBAGLBSA-N 0 1 258.768 3.885 20 0 CHADMN FC1(F)C[C@]12CCCN(Cc1cccc(Cl)c1)C2 ZINC000844437721 1131564117 /nfs/dbraw/zinc/56/41/17/1131564117.db2.gz VVRUQQRBXFSVOG-ZDUSSCGKSA-N 0 1 271.738 3.961 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CCC[C@@H]2C[C@@H]21 ZINC001139011429 1131572154 /nfs/dbraw/zinc/57/21/54/1131572154.db2.gz RBGIDJPVCIFIIJ-RISCZKNCSA-N 0 1 265.784 3.723 20 0 CHADMN CCC1(CN(C)Cc2ccc(Cl)cc2Cl)COC1 ZINC001202911956 1131599496 /nfs/dbraw/zinc/59/94/96/1131599496.db2.gz MFHFHJCPSQQZQE-UHFFFAOYSA-N 0 1 288.218 3.852 20 0 CHADMN CC(C)[C@@H](N)c1noc(/C=C/C2CCCCCC2)n1 ZINC000844906714 1131606044 /nfs/dbraw/zinc/60/60/44/1131606044.db2.gz SHXWFEUSWDMIGP-ATWMFIQVSA-N 0 1 263.385 3.709 20 0 CHADMN Cc1cc(CN2C[C@H]3[C@H](CCC3(F)F)C2)cnc1Cl ZINC001139542831 1131614314 /nfs/dbraw/zinc/61/43/14/1131614314.db2.gz PNLAMUJBIGBQMT-NEPJUHHUSA-N 0 1 286.753 3.521 20 0 CHADMN CC[C@H]1CCC[N@H+]1Cc1sc(N2CCCC2)nc1Cl ZINC001140365445 1131705943 /nfs/dbraw/zinc/70/59/43/1131705943.db2.gz ZCANBHAVTJKTMK-NSHDSACASA-N 0 1 299.871 3.771 20 0 CHADMN CC[C@H]1CCCN1Cc1sc(N2CCCC2)nc1Cl ZINC001140365445 1131705948 /nfs/dbraw/zinc/70/59/48/1131705948.db2.gz ZCANBHAVTJKTMK-NSHDSACASA-N 0 1 299.871 3.771 20 0 CHADMN CCC[C@@H](C)[C@H](CC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507248 1131900322 /nfs/dbraw/zinc/90/03/22/1131900322.db2.gz KJLZANVFZRXFHY-BDAKNGLRSA-N 0 1 282.775 3.600 20 0 CHADMN C[C@@H](N[C@H]1CSCc2ccccc21)c1ccns1 ZINC000716014273 1132008167 /nfs/dbraw/zinc/00/81/67/1132008167.db2.gz JPNREDZXEYFURQ-MFKMUULPSA-N 0 1 276.430 3.782 20 0 CHADMN FC(F)(F)SCCN1CCC(c2ccco2)CC1 ZINC001171834673 1132104816 /nfs/dbraw/zinc/10/48/16/1132104816.db2.gz PAFJFXDOHXISGD-UHFFFAOYSA-N 0 1 279.327 3.712 20 0 CHADMN CCOc1ccc(CN(C)C[C@@H]2CC2(Cl)Cl)cc1 ZINC000838481103 1132137858 /nfs/dbraw/zinc/13/78/58/1132137858.db2.gz WUQUYSZMWIGLAH-LBPRGKRZSA-N 0 1 288.218 3.711 20 0 CHADMN Cc1cc(F)c(CNC[C@@H](O)c2ccsc2)c(Cl)c1 ZINC000838960187 1132161308 /nfs/dbraw/zinc/16/13/08/1132161308.db2.gz NPMPYMCPYPSRKU-CQSZACIVSA-N 0 1 299.798 3.672 20 0 CHADMN Cc1cc(CN2CC(C(C)(C)C)C2)cc(Cl)n1 ZINC000839145813 1132184781 /nfs/dbraw/zinc/18/47/81/1132184781.db2.gz TXBVHQPSPAVNMH-UHFFFAOYSA-N 0 1 252.789 3.521 20 0 CHADMN CC(C)COCC[C@@H](C)N[C@@H]1CCCCC1(F)F ZINC001172460228 1132242018 /nfs/dbraw/zinc/24/20/18/1132242018.db2.gz PTRRBUBHGKLVHD-CHWSQXEVSA-N 0 1 263.372 3.605 20 0 CHADMN Cc1nc([C@H](C)Sc2nc3ccccc3s2)n[nH]1 ZINC000839978643 1132244690 /nfs/dbraw/zinc/24/46/90/1132244690.db2.gz NFZQBNPMAKFZER-ZETCQYMHSA-N 0 1 276.390 3.576 20 0 CHADMN C[C@H]1CCN(C2CC(C)(C)OC(C)(C)C2)CC1(F)F ZINC001172654595 1132289066 /nfs/dbraw/zinc/28/90/66/1132289066.db2.gz DPZQWRMGTUZBFD-NSHDSACASA-N 0 1 275.383 3.700 20 0 CHADMN F[C@@H]1CCN(Cc2ccc(-c3cccs3)cc2)C1 ZINC001231429721 1132293733 /nfs/dbraw/zinc/29/37/33/1132293733.db2.gz WOBOEMBURVHMKQ-CQSZACIVSA-N 0 1 261.365 3.959 20 0 CHADMN COC[C@H]1CCN(Cc2ccc(C)c(Cl)c2Cl)C1 ZINC001231660474 1132340224 /nfs/dbraw/zinc/34/02/24/1132340224.db2.gz IHYUDJPIUIUQJQ-NSHDSACASA-N 0 1 288.218 3.770 20 0 CHADMN COc1cc(Cl)c(CN(CC2CC2)C(C)C)c(OC)c1 ZINC001231696813 1132346704 /nfs/dbraw/zinc/34/67/04/1132346704.db2.gz LUZPPDIDJUMIEX-UHFFFAOYSA-N 0 1 297.826 3.978 20 0 CHADMN C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231732801 1132351120 /nfs/dbraw/zinc/35/11/20/1132351120.db2.gz GLXGWPOJAVXICU-LLVKDONJSA-N 0 1 253.773 3.668 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231732801 1132351128 /nfs/dbraw/zinc/35/11/28/1132351128.db2.gz GLXGWPOJAVXICU-LLVKDONJSA-N 0 1 253.773 3.668 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1ccnc(C(F)(F)F)c1 ZINC001232235578 1132441520 /nfs/dbraw/zinc/44/15/20/1132441520.db2.gz SBHRVTISLQLAQX-QWRGUYRKSA-N 0 1 272.314 3.863 20 0 CHADMN CC[C@H]1CCCN1Cc1cc(OC)c(Cl)cc1OC ZINC001232374317 1132459826 /nfs/dbraw/zinc/45/98/26/1132459826.db2.gz QIKNJDXPOJSIAR-LBPRGKRZSA-N 0 1 283.799 3.732 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(Br)co2)C1 ZINC001232856840 1132531848 /nfs/dbraw/zinc/53/18/48/1132531848.db2.gz GZRWYXFUMYAPAT-SNVBAGLBSA-N 0 1 272.186 3.664 20 0 CHADMN CC[C@H]1CCCN1Cc1c(F)cc(Cl)cc1OC ZINC001233004521 1132561426 /nfs/dbraw/zinc/56/14/26/1132561426.db2.gz SDXJVKCIBQVKCK-NSHDSACASA-N 0 1 271.763 3.862 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1c[nH]c(Br)c1 ZINC001233434556 1132620659 /nfs/dbraw/zinc/62/06/59/1132620659.db2.gz TVRMBCNNOHFGNP-UWVGGRQHSA-N 0 1 271.202 3.540 20 0 CHADMN CCCC[C@@H](CC)CC(=O)N1CCN([C@H](C)CC)CC1 ZINC001158145237 1132765109 /nfs/dbraw/zinc/76/51/09/1132765109.db2.gz LLLLGUUAZCUOIZ-HZPDHXFCSA-N 0 1 282.472 3.536 20 0 CHADMN CCC1(CC)CCCN(Cc2ncccc2F)C1 ZINC001206665897 1132766226 /nfs/dbraw/zinc/76/62/26/1132766226.db2.gz YWWYUGAWFBBJGV-UHFFFAOYSA-N 0 1 250.361 3.623 20 0 CHADMN Cc1cnc(N[C@H](C2CCC2)C(F)(F)F)cc1C ZINC001158400921 1132774093 /nfs/dbraw/zinc/77/40/93/1132774093.db2.gz ISYGSSHTLKDZDG-GFCCVEGCSA-N 0 1 258.287 3.841 20 0 CHADMN C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2)C[C@]1(C)O ZINC001203809174 1133372072 /nfs/dbraw/zinc/37/20/72/1133372072.db2.gz XPIILDYCMDDPQB-YGRLFVJLSA-N 0 1 288.218 3.586 20 0 CHADMN C[C@H]1CCCN(Cc2cccc(F)c2OC(F)F)C1 ZINC001205046584 1133520587 /nfs/dbraw/zinc/52/05/87/1133520587.db2.gz SSLWMWDEUXYSMD-JTQLQIEISA-N 0 1 273.298 3.659 20 0 CHADMN F[C@@H]1CCCCN(CCc2cccc(Cl)c2)C1 ZINC001207420193 1133799044 /nfs/dbraw/zinc/79/90/44/1133799044.db2.gz AIMLLRQEZAKDCN-CQSZACIVSA-N 0 1 255.764 3.707 20 0 CHADMN CC/C=C\CCCCCN1CC(N2CCC(F)(F)C2)C1 ZINC001208193872 1133904114 /nfs/dbraw/zinc/90/41/14/1133904114.db2.gz GDLZTSWNWWGYIW-ARJAWSKDSA-N 0 1 286.410 3.538 20 0 CHADMN Oc1c(Cl)cc(Nc2cccc(F)n2)cc1Cl ZINC001210924336 1134329875 /nfs/dbraw/zinc/32/98/75/1134329875.db2.gz JIXSOQIZKLIZEA-UHFFFAOYSA-N 0 1 273.094 3.977 20 0 CHADMN Oc1c(Cl)ccc(Nc2ncccc2Cl)c1F ZINC001214795946 1134573359 /nfs/dbraw/zinc/57/33/59/1134573359.db2.gz CCXIKZPGDOHTEK-UHFFFAOYSA-N 0 1 273.094 3.977 20 0 CHADMN Oc1c(Cl)ccc(Nc2cnc(F)c(F)c2)c1F ZINC001214798617 1134574572 /nfs/dbraw/zinc/57/45/72/1134574572.db2.gz XVFFZYPPSJDNGL-UHFFFAOYSA-N 0 1 274.629 3.602 20 0 CHADMN COc1cccc(O)c1Nc1ccc(Cl)c(O)c1F ZINC001214804725 1134576612 /nfs/dbraw/zinc/57/66/12/1134576612.db2.gz YADOYXIJDPSTDP-UHFFFAOYSA-N 0 1 283.686 3.643 20 0 CHADMN Clc1cc(Cl)cc(-c2ccc3[nH]nnc3c2)c1 ZINC001222593349 1135254391 /nfs/dbraw/zinc/25/43/91/1135254391.db2.gz OSKCBKDWCBQOSZ-UHFFFAOYSA-N 0 1 264.115 3.932 20 0 CHADMN Clc1cc(Cl)cc(-c2ccc3nn[nH]c3c2)c1 ZINC001222593349 1135254396 /nfs/dbraw/zinc/25/43/96/1135254396.db2.gz OSKCBKDWCBQOSZ-UHFFFAOYSA-N 0 1 264.115 3.932 20 0 CHADMN Cc1nc(-c2ccc(Cl)c(Cl)c2)nc2nc[nH]c21 ZINC001222342991 1135229036 /nfs/dbraw/zinc/22/90/36/1135229036.db2.gz SHOYHHNUFLGVCO-UHFFFAOYSA-N 0 1 279.130 3.587 20 0 CHADMN CCc1cccc(CC)c1NC(=O)CN1CCCC[C@@H]1C ZINC000014193856 1125517215 /nfs/dbraw/zinc/51/72/15/1125517215.db2.gz DMFSGOPTECEOGN-AWEZNQCLSA-N 0 1 288.435 3.624 20 0 CHADMN COc1cccc(C)c1C[N@@H+](Cc1ccccn1)C(C)C ZINC000637955899 1129237676 /nfs/dbraw/zinc/23/76/76/1129237676.db2.gz OJQBIXUALLBXRT-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN COc1cccc(C)c1CN(Cc1ccccn1)C(C)C ZINC000637955899 1129237679 /nfs/dbraw/zinc/23/76/79/1129237679.db2.gz OJQBIXUALLBXRT-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN Cc1ccc(C[C@H](C)N(C)Cc2nccs2)cc1 ZINC000135092281 1125522562 /nfs/dbraw/zinc/52/25/62/1125522562.db2.gz SBIMOIITGZEYIT-ZDUSSCGKSA-N 0 1 260.406 3.515 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccncc1 ZINC000118888422 1125525457 /nfs/dbraw/zinc/52/54/57/1125525457.db2.gz ANIKSRIWEXTULP-LLVKDONJSA-N 0 1 262.303 3.553 20 0 CHADMN COc1cccc2c1CC[C@@H]2NCc1cccc(F)c1F ZINC000151896031 1125531813 /nfs/dbraw/zinc/53/18/13/1125531813.db2.gz JHJJWWKMHMGHCN-HNNXBMFYSA-N 0 1 289.325 3.751 20 0 CHADMN OCC[C@@H](NCc1cc(Cl)ccc1F)c1ccccc1 ZINC000119324609 1125532576 /nfs/dbraw/zinc/53/25/76/1125532576.db2.gz PIHWSEPMIOYRRF-MRXNPFEDSA-N 0 1 293.769 3.692 20 0 CHADMN CCOCC1CCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC000093394492 1125537139 /nfs/dbraw/zinc/53/71/39/1125537139.db2.gz ZXSNSZKKMYTZBX-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN CCOc1cccc([C@H](C)N[C@@H](C)c2cnn(CC)c2)c1 ZINC000120593378 1125549246 /nfs/dbraw/zinc/54/92/46/1125549246.db2.gz GPXOUBJGMFSBTQ-KBPBESRZSA-N 0 1 287.407 3.714 20 0 CHADMN CSc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C(C)=O)C1 ZINC001238677044 1131230799 /nfs/dbraw/zinc/23/07/99/1131230799.db2.gz OCOLNGODNKVEIL-GFCCVEGCSA-N 0 1 297.851 3.863 20 0 CHADMN CSc1ccc(Cl)cc1CN1CCC[C@@H](C(C)=O)C1 ZINC001238677044 1131230801 /nfs/dbraw/zinc/23/08/01/1131230801.db2.gz OCOLNGODNKVEIL-GFCCVEGCSA-N 0 1 297.851 3.863 20 0 CHADMN CCCCOc1cccc(NC(=O)[C@H](N)c2ccccc2)c1 ZINC000236716083 1125558896 /nfs/dbraw/zinc/55/88/96/1125558896.db2.gz OHMLJUHMPXALJQ-QGZVFWFLSA-N 0 1 298.386 3.504 20 0 CHADMN COc1cc(CNCc2ccc(-c3ccccc3)o2)ccn1 ZINC000237264044 1125565503 /nfs/dbraw/zinc/56/55/03/1125565503.db2.gz DSIDQTODEQJZKJ-UHFFFAOYSA-N 0 1 294.354 3.640 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1nc([C@H](C)OCC)no1 ZINC000245430861 1125571542 /nfs/dbraw/zinc/57/15/42/1125571542.db2.gz AJARYHANCWYADO-MELADBBJSA-N 0 1 295.427 3.568 20 0 CHADMN Cc1cc(CN2CCC(OC3CCC3)CC2)cc(F)c1F ZINC001143596770 1125572831 /nfs/dbraw/zinc/57/28/31/1125572831.db2.gz BVSSTLBKTQAYKB-UHFFFAOYSA-N 0 1 295.373 3.807 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)N(C)CC(=O)N(CC)CC ZINC000532745610 1125575549 /nfs/dbraw/zinc/57/55/49/1125575549.db2.gz CTCCUQQUZGEKRV-OAHLLOKOSA-N 0 1 296.842 3.591 20 0 CHADMN Fc1cccc(Cl)c1CN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000532747794 1125577577 /nfs/dbraw/zinc/57/75/77/1125577577.db2.gz ITMQOHZWOWIJRN-OLZOCXBDSA-N 0 1 297.801 3.728 20 0 CHADMN COc1ccccc1CNCc1cncc2ccccc21 ZINC000135369877 1125587961 /nfs/dbraw/zinc/58/79/61/1125587961.db2.gz YJXLMBFSHVGWTQ-UHFFFAOYSA-N 0 1 278.355 3.533 20 0 CHADMN C[C@H](N(C)Cc1ccn(-c2ccccc2)n1)C(C)(C)C ZINC000532929042 1125588996 /nfs/dbraw/zinc/58/89/96/1125588996.db2.gz XUHCMDZUWFFJBW-AWEZNQCLSA-N 0 1 271.408 3.739 20 0 CHADMN Cc1cccc(NC[C@]2(C)CCOC3(CCC3)C2)n1 ZINC000884702539 1125589701 /nfs/dbraw/zinc/58/97/01/1125589701.db2.gz FWXDDYHMMULRJP-OAHLLOKOSA-N 0 1 260.381 3.541 20 0 CHADMN Cc1ccc(CCN2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000532923160 1125590156 /nfs/dbraw/zinc/59/01/56/1125590156.db2.gz HIIPLEBBUSAVET-IBGZPJMESA-N 0 1 299.389 3.750 20 0 CHADMN Cc1ccc(CN[C@H](CN(C)C)c2ccc(Cl)cc2)o1 ZINC000282927183 1125592874 /nfs/dbraw/zinc/59/28/74/1125592874.db2.gz WFXNZQBWFVLCQY-MRXNPFEDSA-N 0 1 292.810 3.634 20 0 CHADMN C[C@H]1CCN(Cc2cnn3ccccc23)[C@@H](c2ccco2)C1 ZINC000245766207 1125593827 /nfs/dbraw/zinc/59/38/27/1125593827.db2.gz QVCRYAARWRQCSE-WMLDXEAASA-N 0 1 295.386 3.901 20 0 CHADMN Cc1ccc2nc(CN3CC(c4cccnc4)C3)ccc2c1 ZINC001137217063 1125599647 /nfs/dbraw/zinc/59/96/47/1125599647.db2.gz IRPQLUFAPQQOFR-UHFFFAOYSA-N 0 1 289.382 3.538 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@H](C)N1CC[C@@H](C)[C@@H](C)C1 ZINC000245965031 1125600505 /nfs/dbraw/zinc/60/05/05/1125600505.db2.gz VJJYFLBXBJNCCH-KCXAZCMYSA-N 0 1 288.435 3.608 20 0 CHADMN CCC[C@H]1CCCN(Cc2nc3ccccc3n2C)C1 ZINC000533482297 1125610349 /nfs/dbraw/zinc/61/03/49/1125610349.db2.gz LEYXEAUXZXMNJY-AWEZNQCLSA-N 0 1 271.408 3.585 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H](C)c1ccnn1CC1CCC1 ZINC000925292262 1125616503 /nfs/dbraw/zinc/61/65/03/1125616503.db2.gz GLFPWNNIMUVXIQ-GJZGRUSLSA-N 0 1 298.434 3.798 20 0 CHADMN CCCCc1nc(CN2CCCC[C@H]2[C@@H](O)CC)cs1 ZINC000246390367 1125623091 /nfs/dbraw/zinc/62/30/91/1125623091.db2.gz OYZOPEQVALNHML-GJZGRUSLSA-N 0 1 296.480 3.611 20 0 CHADMN FC(F)COc1ccccc1CNCc1ccccc1 ZINC000885894141 1125624813 /nfs/dbraw/zinc/62/48/13/1125624813.db2.gz JDZFMXKDTWEULZ-UHFFFAOYSA-N 0 1 277.314 3.620 20 0 CHADMN CCCCC[N@@H+](Cc1nnc(C)o1)[C@@H](C)CCC ZINC000067984035 1125626428 /nfs/dbraw/zinc/62/64/28/1125626428.db2.gz DRHILZOKTHVIJU-LBPRGKRZSA-N 0 1 253.390 3.559 20 0 CHADMN CCCCCN(Cc1nnc(C)o1)[C@@H](C)CCC ZINC000067984035 1125626431 /nfs/dbraw/zinc/62/64/31/1125626431.db2.gz DRHILZOKTHVIJU-LBPRGKRZSA-N 0 1 253.390 3.559 20 0 CHADMN CC[C@H](NCc1cc(C)co1)c1ccc2c(c1)OCCO2 ZINC000885935220 1125628370 /nfs/dbraw/zinc/62/83/70/1125628370.db2.gz GBRHZJKXQHVVRW-HNNXBMFYSA-N 0 1 287.359 3.600 20 0 CHADMN C[C@H](NCc1ccc(Br)cn1)c1ccccc1 ZINC000070395475 1125630488 /nfs/dbraw/zinc/63/04/88/1125630488.db2.gz YGOYTGWVUPHWOL-NSHDSACASA-N 0 1 291.192 3.695 20 0 CHADMN CCOc1ccccc1[C@H](CC)NCc1[nH]nc(C)c1C ZINC000885961409 1125630703 /nfs/dbraw/zinc/63/07/03/1125630703.db2.gz XJGHZIRMLWQPSN-HNNXBMFYSA-N 0 1 287.407 3.666 20 0 CHADMN Cc1noc(C)c1[C@H](C)NC/C=C/c1cccc(F)c1 ZINC000885985348 1125632943 /nfs/dbraw/zinc/63/29/43/1125632943.db2.gz FLPPOHMBAONOSW-ZRQQLDRUSA-N 0 1 274.339 3.795 20 0 CHADMN c1c(CN2CCC[C@H]2c2ccccc2)nc2ccccn12 ZINC000073368786 1125637854 /nfs/dbraw/zinc/63/78/54/1125637854.db2.gz QUOFSAKPKUAPBJ-KRWDZBQOSA-N 0 1 277.371 3.671 20 0 CHADMN Cc1coc(CNC[C@@H](O)c2cc3ccccc3s2)c1 ZINC000886019341 1125638083 /nfs/dbraw/zinc/63/80/83/1125638083.db2.gz RNUCLDSWTSUFFB-CQSZACIVSA-N 0 1 287.384 3.626 20 0 CHADMN CCc1nc(CN(C)[C@H]2CCC[C@H](C)C2)cs1 ZINC000073620345 1125638288 /nfs/dbraw/zinc/63/82/88/1125638288.db2.gz HXBDKNFOWIKLLX-AAEUAGOBSA-N 0 1 252.427 3.716 20 0 CHADMN Fc1cccc([C@@H]2CCN2C[C@H]2CC[C@H](C3CC3)O2)c1 ZINC000886033388 1125638993 /nfs/dbraw/zinc/63/89/93/1125638993.db2.gz TYOFJXXPGSZJGV-IXDOHACOSA-N 0 1 275.367 3.530 20 0 CHADMN CCSc1cccc(NCc2n[nH]c(C)c2C)c1 ZINC000886038558 1125639137 /nfs/dbraw/zinc/63/91/37/1125639137.db2.gz YJIPTAVOCAOVBV-UHFFFAOYSA-N 0 1 261.394 3.751 20 0 CHADMN Cc1[nH]nc(CNc2cc(F)ccc2OC(C)C)c1C ZINC000886035447 1125639242 /nfs/dbraw/zinc/63/92/42/1125639242.db2.gz MMJBTIRKVOOERJ-UHFFFAOYSA-N 0 1 277.343 3.565 20 0 CHADMN CSCc1ccc(NCc2n[nH]c(C)c2C)cc1 ZINC000886034616 1125639815 /nfs/dbraw/zinc/63/98/15/1125639815.db2.gz CIAXBYWNXUJAGF-UHFFFAOYSA-N 0 1 261.394 3.502 20 0 CHADMN CCCCC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000074016678 1125639997 /nfs/dbraw/zinc/63/99/97/1125639997.db2.gz YUGMMYPXYVFVQG-UHFFFAOYSA-N 0 1 294.358 3.754 20 0 CHADMN Cc1coc(CNCc2ccccc2N2CCCCC2)c1 ZINC000886057001 1125642046 /nfs/dbraw/zinc/64/20/46/1125642046.db2.gz BXAOSMPLDPTNEN-UHFFFAOYSA-N 0 1 284.403 3.868 20 0 CHADMN CCc1ccccc1NC(=O)c1cccc2nc(C)[nH]c21 ZINC000074732627 1125643115 /nfs/dbraw/zinc/64/31/15/1125643115.db2.gz WWIDHXHJYLBOAC-UHFFFAOYSA-N 0 1 279.343 3.686 20 0 CHADMN Cc1coc(CNCc2c(C)oc3ccccc32)c1 ZINC000886067481 1125643610 /nfs/dbraw/zinc/64/36/10/1125643610.db2.gz KYEDSYODXLOMGM-UHFFFAOYSA-N 0 1 255.317 3.932 20 0 CHADMN CCO[C@H](CNCc1ccc(Cl)cn1)c1ccccc1 ZINC000886093591 1125645907 /nfs/dbraw/zinc/64/59/07/1125645907.db2.gz DBUYIFCTIJILJN-MRXNPFEDSA-N 0 1 290.794 3.602 20 0 CHADMN CCO[C@@H](C)c1noc(CN2CCCC[C@H]2CC(C)C)n1 ZINC000246649925 1125647051 /nfs/dbraw/zinc/64/70/51/1125647051.db2.gz VDXSKFNGFRGGBQ-KBPBESRZSA-N 0 1 295.427 3.568 20 0 CHADMN COc1cc(C)cc(CN[C@H](C)c2ccsc2)c1OC ZINC000886107201 1125650080 /nfs/dbraw/zinc/65/00/80/1125650080.db2.gz NDDCGSFCFSXDCT-GFCCVEGCSA-N 0 1 291.416 3.925 20 0 CHADMN c1cn(Cc2ccccc2)c(CN2CCC[C@@H]3CCC[C@H]32)n1 ZINC000247255026 1125654906 /nfs/dbraw/zinc/65/49/06/1125654906.db2.gz FBILCEDPNFLQGD-ZWKOTPCHSA-N 0 1 295.430 3.696 20 0 CHADMN CO[C@]1(C(F)(F)F)CCCN(Cc2csc(C)c2)C1 ZINC000648535661 1125656393 /nfs/dbraw/zinc/65/63/93/1125656393.db2.gz ICHUKJHLRGPBGD-GFCCVEGCSA-N 0 1 293.354 3.600 20 0 CHADMN C[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2ccccn2)C1 ZINC000075842886 1125657770 /nfs/dbraw/zinc/65/77/70/1125657770.db2.gz IHTYFAVBLWZZRR-DYVFJYSZSA-N 0 1 270.351 3.804 20 0 CHADMN Cc1cnc(CNCc2cccc3ccccc32)s1 ZINC000230686846 1125657967 /nfs/dbraw/zinc/65/79/67/1125657967.db2.gz ZZNBHYWRAFXKSE-UHFFFAOYSA-N 0 1 268.385 3.895 20 0 CHADMN CCCOc1ccc(NCc2n[nH]c(C)c2C)cc1C ZINC000886172185 1125658753 /nfs/dbraw/zinc/65/87/53/1125658753.db2.gz XWQKUJMQQXLJPT-UHFFFAOYSA-N 0 1 273.380 3.736 20 0 CHADMN C[C@@H]1CCN(CCOCC(F)(F)F)[C@@H](c2ccco2)C1 ZINC000247705108 1125659786 /nfs/dbraw/zinc/65/97/86/1125659786.db2.gz YRXXNPXLZQTUMV-VXGBXAGGSA-N 0 1 291.313 3.632 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2F)N(Cc2cccnc2)C1 ZINC000075900206 1125660140 /nfs/dbraw/zinc/66/01/40/1125660140.db2.gz XRYCKAUYQJLFGN-SUMWQHHRSA-N 0 1 270.351 3.804 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2F)N(Cc2ccncc2)C1 ZINC000075901371 1125660180 /nfs/dbraw/zinc/66/01/80/1125660180.db2.gz FPRXMHVZBPXMCQ-GUYCJALGSA-N 0 1 270.351 3.804 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCSC(F)(F)F ZINC000886181539 1125660312 /nfs/dbraw/zinc/66/03/12/1125660312.db2.gz NTZIGRXFARPNBA-RQJHMYQMSA-N 0 1 281.265 3.512 20 0 CHADMN Cc1ccc([C@H]2CCCN2C(=O)c2cc(C3CC3)[nH]n2)cc1 ZINC000248087498 1125661834 /nfs/dbraw/zinc/66/18/34/1125661834.db2.gz LFOAWCJYQYMQAM-QGZVFWFLSA-N 0 1 295.386 3.573 20 0 CHADMN C[C@@H](N[C@H](CN(C)C)c1ccc(Cl)cc1)c1ccco1 ZINC000282953844 1125662878 /nfs/dbraw/zinc/66/28/78/1125662878.db2.gz CBPIIIWZLOTPHD-IUODEOHRSA-N 0 1 292.810 3.887 20 0 CHADMN CCN(Cc1cnn(-c2ccccc2)c1)Cc1cccs1 ZINC000248272978 1125663545 /nfs/dbraw/zinc/66/35/45/1125663545.db2.gz WYEGJPQSGBDIFR-UHFFFAOYSA-N 0 1 297.427 3.956 20 0 CHADMN FC(F)(F)SCCN1CCC[C@@H](c2cccnc2)C1 ZINC000886263897 1125664200 /nfs/dbraw/zinc/66/42/00/1125664200.db2.gz JYEQDZRAIBKDEZ-GFCCVEGCSA-N 0 1 290.354 3.514 20 0 CHADMN C[C@@H]1CCN(Cc2cc(-c3cccs3)on2)[C@H]1C ZINC000248356996 1125664785 /nfs/dbraw/zinc/66/47/85/1125664785.db2.gz OZWDZYXIVFNJCG-MNOVXSKESA-N 0 1 262.378 3.633 20 0 CHADMN CCO[C@H](C)c1nc(CN2CCCC[C@@H](C)C2)cs1 ZINC000248579775 1125670628 /nfs/dbraw/zinc/67/06/28/1125670628.db2.gz VJTAXFBAHKGQTB-CHWSQXEVSA-N 0 1 282.453 3.863 20 0 CHADMN CC[C@@H](NCc1cn(C)cn1)c1cccc2ccccc21 ZINC000886361708 1125672674 /nfs/dbraw/zinc/67/26/74/1125672674.db2.gz SJLKPPXFGLYJML-GOSISDBHSA-N 0 1 279.387 3.814 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CC[C@H](C)[C@H]2C)s1 ZINC000248706640 1125673940 /nfs/dbraw/zinc/67/39/40/1125673940.db2.gz ADCYRWRSXRTDCW-JGVFFNPUSA-N 0 1 278.343 3.701 20 0 CHADMN Clc1cccc2ccc(CN3CC4CC(C4)C3)nc12 ZINC001137228868 1125677611 /nfs/dbraw/zinc/67/76/11/1125677611.db2.gz VEIAEDQEJDNENY-UHFFFAOYSA-N 0 1 272.779 3.730 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)C[C@H]1CC[C@@H](C)O1 ZINC000249101656 1125678707 /nfs/dbraw/zinc/67/87/07/1125678707.db2.gz POMXPXRUCUNPRD-NQBHXWOUSA-N 0 1 269.335 3.525 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249727653 1125681680 /nfs/dbraw/zinc/68/16/80/1125681680.db2.gz QXVJJRWLVJANII-VXGBXAGGSA-N 0 1 291.345 3.629 20 0 CHADMN CCn1ccnc1CN(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000076732934 1125684512 /nfs/dbraw/zinc/68/45/12/1125684512.db2.gz RTGVNQFKHRLKQO-CYBMUJFWSA-N 0 1 291.826 3.619 20 0 CHADMN C[C@H](NCCc1cc(Cl)cc(Cl)c1)c1ncco1 ZINC000886539269 1125685478 /nfs/dbraw/zinc/68/54/78/1125685478.db2.gz XFELYVLHRDNYJK-VIFPVBQESA-N 0 1 285.174 3.875 20 0 CHADMN C/C=C/C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000629375580 1125688873 /nfs/dbraw/zinc/68/88/73/1125688873.db2.gz JKZPXZONYRGSNE-IBUXWKBASA-N 0 1 291.366 3.702 20 0 CHADMN COc1ccc([C@H](C)NCc2cnc(C(C)(C)C)nc2)cc1 ZINC000284325124 1125692592 /nfs/dbraw/zinc/69/25/92/1125692592.db2.gz KHYOULFBPVCJOH-ZDUSSCGKSA-N 0 1 299.418 3.634 20 0 CHADMN FC(F)c1ccc(CN[C@H]2CCc3cccnc32)cc1 ZINC000886591834 1125695463 /nfs/dbraw/zinc/69/54/63/1125695463.db2.gz CLVQKWNNTBHNOL-AWEZNQCLSA-N 0 1 274.314 3.796 20 0 CHADMN CCCNc1ccc(CN[C@@H]2CCc3cccnc32)cc1 ZINC000886600737 1125695769 /nfs/dbraw/zinc/69/57/69/1125695769.db2.gz AGGVZSXOGDFEHU-QGZVFWFLSA-N 0 1 281.403 3.681 20 0 CHADMN Fc1cccc(C2(N[C@@H]3CCc4cccnc43)CCC2)c1 ZINC000886630101 1125699559 /nfs/dbraw/zinc/69/95/59/1125699559.db2.gz UZEGOBSNIRGTEC-MRXNPFEDSA-N 0 1 282.362 3.877 20 0 CHADMN CC(C)[C@@H](NCc1cscc1Cl)c1cnn(C)c1 ZINC000886658119 1125703898 /nfs/dbraw/zinc/70/38/98/1125703898.db2.gz PYZHSXLQBSXXJH-CYBMUJFWSA-N 0 1 283.828 3.622 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnccc1C)c1cccc(OC)n1 ZINC000925295471 1125720887 /nfs/dbraw/zinc/72/08/87/1125720887.db2.gz XLUIFSHYOXREQT-DZGCQCFKSA-N 0 1 285.391 3.596 20 0 CHADMN CCCCC[C@H](O)CNCc1c(F)ccc(Cl)c1F ZINC001253547035 1125732812 /nfs/dbraw/zinc/73/28/12/1125732812.db2.gz DAUBLFNGXRBHHL-JTQLQIEISA-N 0 1 291.769 3.649 20 0 CHADMN CCCC1CCN(Cc2cnccc2Cl)CC1 ZINC001137235561 1125729086 /nfs/dbraw/zinc/72/90/86/1125729086.db2.gz UEUUPCHFBDGLMZ-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN C[C@H](CN[C@@H](C)c1nccs1)Oc1cccc(Cl)c1 ZINC000090115857 1125739968 /nfs/dbraw/zinc/73/99/68/1125739968.db2.gz GIAARLVREZUKJG-MNOVXSKESA-N 0 1 296.823 3.915 20 0 CHADMN CN(CCC(F)(F)F)Cc1cc2ccncc2s1 ZINC001118573496 1131231253 /nfs/dbraw/zinc/23/12/53/1131231253.db2.gz ZXQDUTDSOXBLKX-UHFFFAOYSA-N 0 1 274.311 3.681 20 0 CHADMN C/C(=C/c1nc(C2(N)CCC2)no1)c1cccc(Cl)c1 ZINC000261756970 1125742385 /nfs/dbraw/zinc/74/23/85/1125742385.db2.gz MDAVFBWWHHKFOF-NTMALXAHSA-N 0 1 289.766 3.621 20 0 CHADMN COc1ccccc1[C@H](NC1CCCC1)c1ccco1 ZINC000090535040 1125743025 /nfs/dbraw/zinc/74/30/25/1125743025.db2.gz FEGHBULYOIMWDS-KRWDZBQOSA-N 0 1 271.360 3.910 20 0 CHADMN COc1ccccc1[C@H](N[C@@H](C)C1CC1)c1ccccn1 ZINC000090913232 1125746975 /nfs/dbraw/zinc/74/69/75/1125746975.db2.gz QKHAUZRVJLHGCN-UGSOOPFHSA-N 0 1 282.387 3.568 20 0 CHADMN Cc1ccccc1[C@H](NCc1ncc(Cl)n1C)C(C)C ZINC000091316816 1125748442 /nfs/dbraw/zinc/74/84/42/1125748442.db2.gz NBAXQFFMQGTGTP-MRXNPFEDSA-N 0 1 291.826 3.869 20 0 CHADMN Fc1cc([C@H]2OCC[C@H]2NCc2ccco2)ccc1Cl ZINC000091068968 1125748727 /nfs/dbraw/zinc/74/87/27/1125748727.db2.gz VNFCGSLHNVTFGS-HUUCEWRRSA-N 0 1 295.741 3.692 20 0 CHADMN CCc1ccc([C@H](C)Cc2nc(C3(N)CCCC3)no2)cc1 ZINC000262023366 1125751445 /nfs/dbraw/zinc/75/14/45/1125751445.db2.gz WIRCRPNUTHQGHR-CYBMUJFWSA-N 0 1 299.418 3.706 20 0 CHADMN CCCN(CCc1ccccn1)Cc1cnccc1Cl ZINC001137237940 1125754085 /nfs/dbraw/zinc/75/40/85/1125754085.db2.gz LWZLOEDAMKCWPJ-UHFFFAOYSA-N 0 1 289.810 3.585 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C3CCC(F)(F)CC3)ccc12 ZINC000091825709 1125754682 /nfs/dbraw/zinc/75/46/82/1125754682.db2.gz AUFMBDDBKSJGND-UHFFFAOYSA-N 0 1 293.317 3.635 20 0 CHADMN CCN(Cc1ccc(COC)o1)[C@H](C)c1cccc(O)c1 ZINC000091974822 1125755077 /nfs/dbraw/zinc/75/50/77/1125755077.db2.gz XZZCWCPADPPNFM-CYBMUJFWSA-N 0 1 289.375 3.715 20 0 CHADMN CC(=O)Nc1ccc(CN([C@@H](C)c2ccco2)C2CC2)cc1 ZINC000092483662 1125759756 /nfs/dbraw/zinc/75/97/56/1125759756.db2.gz FMUYGKFGRJMEAR-ZDUSSCGKSA-N 0 1 298.386 3.964 20 0 CHADMN Cc1n[nH]cc1CN(Cc1ccoc1)C1CCCCC1 ZINC000093581992 1125770420 /nfs/dbraw/zinc/77/04/20/1125770420.db2.gz SABXYIMVXSTQHQ-UHFFFAOYSA-N 0 1 273.380 3.646 20 0 CHADMN Cc1ccc(C[N@@H+](Cc2ccc(CO)o2)C2CC2)cc1C ZINC000093608206 1125771134 /nfs/dbraw/zinc/77/11/34/1125771134.db2.gz WMRVSEIKDWSPLM-UHFFFAOYSA-N 0 1 285.387 3.553 20 0 CHADMN Cc1ccc(CN(Cc2ccc(CO)o2)C2CC2)cc1C ZINC000093608206 1125771138 /nfs/dbraw/zinc/77/11/38/1125771138.db2.gz WMRVSEIKDWSPLM-UHFFFAOYSA-N 0 1 285.387 3.553 20 0 CHADMN C[C@H](CC(c1ccccc1)c1ccccc1)N1CCOCC1 ZINC000139982196 1125783115 /nfs/dbraw/zinc/78/31/15/1125783115.db2.gz VWWFWWPIVDCWBX-QGZVFWFLSA-N 0 1 295.426 3.929 20 0 CHADMN c1cc(C2CCC2)ccc1CN1CCOC[C@H]1C1CC1 ZINC000508740916 1125785758 /nfs/dbraw/zinc/78/57/58/1125785758.db2.gz ISOZWPZKVZDHRA-SFHVURJKSA-N 0 1 271.404 3.565 20 0 CHADMN Brc1ccccc1CN1CCCCC12CC2 ZINC001203329047 1125786294 /nfs/dbraw/zinc/78/62/94/1125786294.db2.gz RVRVDMWHKNCJQG-UHFFFAOYSA-N 0 1 280.209 3.968 20 0 CHADMN c1cc(C2CCC2)ccc1CN1CCOC[C@@H]1C1CC1 ZINC000508740914 1125786147 /nfs/dbraw/zinc/78/61/47/1125786147.db2.gz ISOZWPZKVZDHRA-GOSISDBHSA-N 0 1 271.404 3.565 20 0 CHADMN FC(F)c1ccc(CN2CC[C@@H](CC(F)(F)F)C2)cn1 ZINC000639104883 1129281479 /nfs/dbraw/zinc/28/14/79/1129281479.db2.gz HEBWCQFLSAFPCG-VIFPVBQESA-N 0 1 294.267 3.794 20 0 CHADMN Cc1cccc(C2(NCc3ccns3)CCC2)c1 ZINC000639283798 1129299039 /nfs/dbraw/zinc/29/90/39/1129299039.db2.gz NPJRVPWPFOIIQD-UHFFFAOYSA-N 0 1 258.390 3.621 20 0 CHADMN C[C@@H](CC1CC1)N1CCc2cc(Br)ccc2C1 ZINC001258461116 1129385660 /nfs/dbraw/zinc/38/56/60/1129385660.db2.gz HJUVBDJFZLWVHK-NSHDSACASA-N 0 1 294.236 3.996 20 0 CHADMN CC(C)=CCN(C)Cc1ccccc1OC(F)(F)F ZINC000641857712 1129396119 /nfs/dbraw/zinc/39/61/19/1129396119.db2.gz HCFLWZLCXDHSPQ-UHFFFAOYSA-N 0 1 273.298 3.983 20 0 CHADMN CCCc1ccc(CN(C)Cc2ccccn2)s1 ZINC000621722434 1129186713 /nfs/dbraw/zinc/18/67/13/1129186713.db2.gz WWLSZSVIINSFOP-UHFFFAOYSA-N 0 1 260.406 3.728 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635647680 1129188190 /nfs/dbraw/zinc/18/81/90/1129188190.db2.gz WGTNWANDPQZUKY-ZIAGYGMSSA-N 0 1 283.375 3.584 20 0 CHADMN CCc1nc(S[C@H]2CCc3cc(Cl)ccc32)n[nH]1 ZINC000795203686 1129188928 /nfs/dbraw/zinc/18/89/28/1129188928.db2.gz JDPPVNGMMIJRFK-NSHDSACASA-N 0 1 279.796 3.800 20 0 CHADMN CCc1n[nH]c(S[C@H]2CCc3cc(Cl)ccc32)n1 ZINC000795203686 1129188929 /nfs/dbraw/zinc/18/89/29/1129188929.db2.gz JDPPVNGMMIJRFK-NSHDSACASA-N 0 1 279.796 3.800 20 0 CHADMN Fc1cccc([C@@H]2CCN2CC2CC(F)(F)C2)c1 ZINC000649338711 1129641292 /nfs/dbraw/zinc/64/12/92/1129641292.db2.gz IEZXNALZBUMDLT-ZDUSSCGKSA-N 0 1 255.283 3.618 20 0 CHADMN CCOc1ccc(C)c(CN2CCCC[C@H](F)C2)c1 ZINC001238705526 1131236064 /nfs/dbraw/zinc/23/60/64/1131236064.db2.gz RZOFNXAJRJBQNI-HNNXBMFYSA-N 0 1 265.372 3.718 20 0 CHADMN CS[C@H]1CCC[C@@H](NCc2nc(C(C)(C)C)co2)C1 ZINC000724434319 1129852154 /nfs/dbraw/zinc/85/21/54/1129852154.db2.gz PBKMKQOIZBNKBI-NEPJUHHUSA-N 0 1 282.453 3.736 20 0 CHADMN CC(C)c1cnc(CN2CC[C@H](C)C3(CCC3)C2)o1 ZINC000771464713 1129982940 /nfs/dbraw/zinc/98/29/40/1129982940.db2.gz REHFSFZMIWIBDA-ZDUSSCGKSA-N 0 1 262.397 3.810 20 0 CHADMN CSc1ncc(C)cc1CN1CCC[C@@H]1c1ccncc1 ZINC001238716844 1131236907 /nfs/dbraw/zinc/23/69/07/1131236907.db2.gz NENYUDLFXJTWKE-MRXNPFEDSA-N 0 1 299.443 3.844 20 0 CHADMN CC(C)c1ccc(CN(C)CC2CCOCC2)c(Cl)n1 ZINC001238722155 1131237082 /nfs/dbraw/zinc/23/70/82/1131237082.db2.gz KSNNWIXQDQCMLJ-UHFFFAOYSA-N 0 1 296.842 3.717 20 0 CHADMN CS[C@H]1CC[C@@H](NCc2ncc(C(F)(F)F)s2)C1 ZINC000788522076 1130192894 /nfs/dbraw/zinc/19/28/94/1130192894.db2.gz VANLIQOIAAOPLB-SFYZADRCSA-N 0 1 296.383 3.536 20 0 CHADMN CCCCCC[N@@H+](Cc1ccco1)CC1(C(=O)[O-])CC1 ZINC000903961188 1130212953 /nfs/dbraw/zinc/21/29/53/1130212953.db2.gz OYEMCXYMYWGSCA-UHFFFAOYSA-N 0 1 279.380 3.527 20 0 CHADMN FCCNc1ccnc2cc(OC(F)(F)F)ccc21 ZINC000899875272 1126706778 /nfs/dbraw/zinc/70/67/78/1126706778.db2.gz BUKIBKRDOJGEBM-UHFFFAOYSA-N 0 1 274.217 3.515 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccc1N(C)C)c1ccncc1F ZINC000338006382 1126709218 /nfs/dbraw/zinc/70/92/18/1126709218.db2.gz FWKIEUIMHHYJAA-STQMWFEESA-N 0 1 287.382 3.699 20 0 CHADMN Fc1cccc(CN2Cc3ccccc3C3(CC3)C2)c1 ZINC000481728602 1126710113 /nfs/dbraw/zinc/71/01/13/1126710113.db2.gz KVFDIDRSMNJCOG-UHFFFAOYSA-N 0 1 267.347 3.873 20 0 CHADMN C[C@@H](N[C@H](C)c1ccncc1F)c1ccc2c(c1)COC2 ZINC000338014286 1126711008 /nfs/dbraw/zinc/71/10/08/1126711008.db2.gz SNVMKMHAGZWWSV-VXGBXAGGSA-N 0 1 286.350 3.663 20 0 CHADMN CCc1nnc(CN2CCC[C@@H]2CCCc2ccccc2)o1 ZINC000135366142 1126716818 /nfs/dbraw/zinc/71/68/18/1126716818.db2.gz JNXYJGOITYTBIL-INIZCTEOSA-N 0 1 299.418 3.619 20 0 CHADMN C(=C/[C@@H]1CCCN1Cc1cnc2n1CCC2)\c1ccccc1 ZINC000667960889 1126718264 /nfs/dbraw/zinc/71/82/64/1126718264.db2.gz ZAMUEBPHCBFRFB-DVQDXYAYSA-N 0 1 293.414 3.507 20 0 CHADMN c1ccc(-c2noc([C@@H]3NCC[C@@H]4CCCC[C@@H]34)n2)cc1 ZINC000899993200 1126721249 /nfs/dbraw/zinc/72/12/49/1126721249.db2.gz DDRGECASPXXPNP-NWANDNLSSA-N 0 1 283.375 3.577 20 0 CHADMN CCS[C@@H]1CCC[C@H]1NCc1csc(C2CC2)n1 ZINC000348471331 1126724488 /nfs/dbraw/zinc/72/44/88/1126724488.db2.gz UFASYMVAMXSRRK-CHWSQXEVSA-N 0 1 282.478 3.784 20 0 CHADMN CC(C)SCCN(Cc1ccccc1F)C1CC1 ZINC000338263454 1126728435 /nfs/dbraw/zinc/72/84/35/1126728435.db2.gz NDXBBRRBHKZECV-UHFFFAOYSA-N 0 1 267.413 3.932 20 0 CHADMN CC(C)SCCN1CCc2[nH]c3ccccc3c2C1 ZINC000338275232 1126729488 /nfs/dbraw/zinc/72/94/88/1126729488.db2.gz OMDOXGJSMPXJIM-UHFFFAOYSA-N 0 1 274.433 3.668 20 0 CHADMN COCc1ccc([C@@H]2CCCN2Cc2ccc(C)o2)o1 ZINC000137079969 1126733201 /nfs/dbraw/zinc/73/32/01/1126733201.db2.gz ICNZSNJSLSYYKR-HNNXBMFYSA-N 0 1 275.348 3.665 20 0 CHADMN CCCOc1ccc(CN(C)Cc2ccncc2)c(C)c1 ZINC000667976092 1126734465 /nfs/dbraw/zinc/73/44/65/1126734465.db2.gz HCRYPRPSCATTPZ-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN Cc1nnc([C@@H]2CCCCN2CCCCc2ccccc2)[nH]1 ZINC000338323346 1126734737 /nfs/dbraw/zinc/73/47/37/1126734737.db2.gz AKUNNOANGBZPAE-KRWDZBQOSA-N 0 1 298.434 3.663 20 0 CHADMN Cc1nnc([C@@H]2CCCCN2CCCc2cccc(C)c2)[nH]1 ZINC000338327867 1126735119 /nfs/dbraw/zinc/73/51/19/1126735119.db2.gz NXNNZFSNEURSRS-KRWDZBQOSA-N 0 1 298.434 3.581 20 0 CHADMN Cc1noc(C)c1CN(Cc1ccccc1C)C1CC1 ZINC000338357189 1126737740 /nfs/dbraw/zinc/73/77/40/1126737740.db2.gz XGQYWVSOIWAXKH-UHFFFAOYSA-N 0 1 270.376 3.764 20 0 CHADMN COc1c(Br)cccc1CN1CCCC1(C)C ZINC000481999070 1126737979 /nfs/dbraw/zinc/73/79/79/1126737979.db2.gz MVXVOJLYMRPJRZ-UHFFFAOYSA-N 0 1 298.224 3.832 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc2n[nH]cc21 ZINC000348486372 1126740795 /nfs/dbraw/zinc/74/07/95/1126740795.db2.gz YMNGVISSAYJUKA-WBMJQRKESA-N 0 1 285.391 3.604 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccc(F)c(COC)c2)o1 ZINC000151229670 1126752050 /nfs/dbraw/zinc/75/20/50/1126752050.db2.gz DZWGARUJROQRCJ-LBPRGKRZSA-N 0 1 291.366 3.978 20 0 CHADMN Cc1ccc([C@H](C)Nc2cnn(-c3ccncc3)c2)s1 ZINC000679127156 1126752322 /nfs/dbraw/zinc/75/23/22/1126752322.db2.gz JPTJLHUVDDJKQK-LBPRGKRZSA-N 0 1 284.388 3.810 20 0 CHADMN Cc1c(Br)cncc1CN1CC[C@H]2CCC[C@H]21 ZINC000668013332 1126752998 /nfs/dbraw/zinc/75/29/98/1126752998.db2.gz VOXKEURYBMZFQX-BXUZGUMPSA-N 0 1 295.224 3.527 20 0 CHADMN Cc1noc(C)c1CN1CCC(Nc2cccc(C)c2)CC1 ZINC000152978567 1126757445 /nfs/dbraw/zinc/75/74/45/1126757445.db2.gz MWADCMGHGNPBGC-UHFFFAOYSA-N 0 1 299.418 3.676 20 0 CHADMN COc1ccc2nc(CN3CCC(C)=C(C)C3)sc2c1 ZINC000482463417 1126758439 /nfs/dbraw/zinc/75/84/39/1126758439.db2.gz ZGFNUCCCDLKKPR-UHFFFAOYSA-N 0 1 288.416 3.847 20 0 CHADMN C[C@@H]1CCC[C@@H](NCc2noc(-c3ccsc3)n2)[C@@H]1C ZINC000162946374 1126759683 /nfs/dbraw/zinc/75/96/83/1126759683.db2.gz GHPGKDQRMILUSM-NQBHXWOUSA-N 0 1 291.420 3.712 20 0 CHADMN C[C@H]1CC[C@@H](N(C)Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000429565346 1126760453 /nfs/dbraw/zinc/76/04/53/1126760453.db2.gz RZDKBNUYYBCOCL-SUMWQHHRSA-N 0 1 287.382 3.632 20 0 CHADMN Cc1cnc(CCN(C)Cc2cscc2Cl)s1 ZINC000678285935 1130393427 /nfs/dbraw/zinc/39/34/27/1130393427.db2.gz PCFZXJPVHLKJPL-UHFFFAOYSA-N 0 1 286.853 3.841 20 0 CHADMN CC[C@@H]1[C@@H](C)CCN1Cc1cc(F)c(F)c(F)c1 ZINC000482503463 1126761839 /nfs/dbraw/zinc/76/18/39/1126761839.db2.gz FTAQGCNAVJRIEF-TVQRCGJNSA-N 0 1 257.299 3.724 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1CCC[C@H]1C ZINC000174415891 1126770254 /nfs/dbraw/zinc/77/02/54/1126770254.db2.gz DJECRYNMXLERRN-SNVBAGLBSA-N 0 1 262.378 3.696 20 0 CHADMN Cc1cccc2[nH]c(CN(C)[C@@H](CO)c3ccccc3)cc21 ZINC000668210900 1126768944 /nfs/dbraw/zinc/76/89/44/1126768944.db2.gz PLYAJXWXZMFYEF-IBGZPJMESA-N 0 1 294.398 3.642 20 0 CHADMN CCCCCc1cc(C(=O)N2[C@H](C)CCC[C@H]2C)n[nH]1 ZINC000668219879 1126773193 /nfs/dbraw/zinc/77/31/93/1126773193.db2.gz XIXYQAXWTNSNOI-CHWSQXEVSA-N 0 1 277.412 3.546 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1cn(C(C)(C)C)nn1 ZINC000483243345 1126774984 /nfs/dbraw/zinc/77/49/84/1126774984.db2.gz CTEQHNVZVOSNJF-HNNXBMFYSA-N 0 1 278.444 3.578 20 0 CHADMN Cc1ccccc1-c1nc(CNC[C@H]2CCCC[C@H]2C)no1 ZINC000483305675 1126780010 /nfs/dbraw/zinc/78/00/10/1126780010.db2.gz FMYJLLQLSFYKQB-UKRRQHHQSA-N 0 1 299.418 3.961 20 0 CHADMN Cc1ccc2nc(SCc3nccs3)[nH]c2c1 ZINC000162514423 1126777958 /nfs/dbraw/zinc/77/79/58/1126777958.db2.gz IIBKPFFUKPPIII-UHFFFAOYSA-N 0 1 261.375 3.620 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)[C@@H]2c2cccc(F)c2)on1 ZINC000175148539 1126778071 /nfs/dbraw/zinc/77/80/71/1126778071.db2.gz KENLFSSBFWFZCW-BDJLRTHQSA-N 0 1 274.339 3.705 20 0 CHADMN Clc1cccc(CNC2(c3ccccc3)CCC2)n1 ZINC000175521973 1126783386 /nfs/dbraw/zinc/78/33/86/1126783386.db2.gz GDIKCJLAJJYZJX-UHFFFAOYSA-N 0 1 272.779 3.904 20 0 CHADMN Cc1ccc2c(c1)CN(CCOc1cccc(C)c1)C2 ZINC000483331585 1126780911 /nfs/dbraw/zinc/78/09/11/1126780911.db2.gz SMOUVPKHDDMTPO-UHFFFAOYSA-N 0 1 267.372 3.698 20 0 CHADMN CC1=C(C)CN(Cc2nc3ccccc3s2)CC1 ZINC000483335182 1126781620 /nfs/dbraw/zinc/78/16/20/1126781620.db2.gz FJYPKTAMEGNNAC-UHFFFAOYSA-N 0 1 258.390 3.838 20 0 CHADMN CC(C)CN(Cc1nc2c(s1)CCCC2)C1CC1 ZINC000678964272 1130478809 /nfs/dbraw/zinc/47/88/09/1130478809.db2.gz WXGZBBZJHCDWHB-UHFFFAOYSA-N 0 1 264.438 3.642 20 0 CHADMN Clc1ncc(CN2CCC[C@@H]2C2CCC2)s1 ZINC000175426471 1126782862 /nfs/dbraw/zinc/78/28/62/1126782862.db2.gz HXLOSZOCPUVVGH-LLVKDONJSA-N 0 1 256.802 3.561 20 0 CHADMN CCC[C@H](C)[N@@H+](C)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000483390704 1126785513 /nfs/dbraw/zinc/78/55/13/1126785513.db2.gz CQSXWWHEOHBIML-LBPRGKRZSA-N 0 1 291.370 3.805 20 0 CHADMN CCC[C@H](C)N(C)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000483390704 1126785516 /nfs/dbraw/zinc/78/55/16/1126785516.db2.gz CQSXWWHEOHBIML-LBPRGKRZSA-N 0 1 291.370 3.805 20 0 CHADMN CC[C@H](C)CO[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001224668817 1126790562 /nfs/dbraw/zinc/79/05/62/1126790562.db2.gz XOUZGALCQIXJPG-DZGCQCFKSA-N 0 1 281.827 3.977 20 0 CHADMN CC(C)N(Cc1cnc2n1CCC2)[C@H](C)c1ccsc1 ZINC000668245049 1126786496 /nfs/dbraw/zinc/78/64/96/1126786496.db2.gz QZILQXLFQIOHET-CYBMUJFWSA-N 0 1 289.448 3.862 20 0 CHADMN c1cc2c(o1)CCC[C@H]2NCc1cnc(-c2ccccc2)[nH]1 ZINC000175978185 1126787622 /nfs/dbraw/zinc/78/76/22/1126787622.db2.gz YZODKOLLYCOPRY-MRXNPFEDSA-N 0 1 293.370 3.837 20 0 CHADMN FC(F)C1CCN(CCOc2ccccc2Cl)CC1 ZINC000483528520 1126790682 /nfs/dbraw/zinc/79/06/82/1126790682.db2.gz GKQWOOBATACCPF-UHFFFAOYSA-N 0 1 289.753 3.696 20 0 CHADMN CCN(Cc1ccc(SC)cc1)Cc1ccccn1 ZINC000177003864 1126796380 /nfs/dbraw/zinc/79/63/80/1126796380.db2.gz ZZFJJQPZSDCMRH-UHFFFAOYSA-N 0 1 272.417 3.826 20 0 CHADMN CCC[C@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000177044338 1126796927 /nfs/dbraw/zinc/79/69/27/1126796927.db2.gz PVOFJWVQZGEOLT-AWEZNQCLSA-N 0 1 285.391 3.749 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN(C)[C@@H](C)C1(C)CC1 ZINC000177234119 1126798723 /nfs/dbraw/zinc/79/87/23/1126798723.db2.gz ZHQOBTLVFNPYKF-AWEZNQCLSA-N 0 1 288.435 3.616 20 0 CHADMN C[C@H](Cc1ccccn1)NCc1coc(-c2cccs2)n1 ZINC000924788650 1126799285 /nfs/dbraw/zinc/79/92/85/1126799285.db2.gz OSVWBHFQBYGSKE-GFCCVEGCSA-N 0 1 299.399 3.519 20 0 CHADMN C[C@H](N(C)CC(=O)Nc1ccc(F)cc1Cl)C1(C)CC1 ZINC000177240349 1126799628 /nfs/dbraw/zinc/79/96/28/1126799628.db2.gz VDUHKRLJCWJKJZ-JTQLQIEISA-N 0 1 298.789 3.538 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000177560239 1126802048 /nfs/dbraw/zinc/80/20/48/1126802048.db2.gz SINPKHQUOVSFFG-WWGRRREGSA-N 0 1 297.402 3.886 20 0 CHADMN CCCN1CCC[C@@H]1c1nc(-c2ccc(F)c(C)c2)no1 ZINC000483829726 1126802686 /nfs/dbraw/zinc/80/26/86/1126802686.db2.gz GHABMXUPKFOZLE-CQSZACIVSA-N 0 1 289.354 3.731 20 0 CHADMN CC[C@H](N[C@H](C)c1cnn(C)c1C)c1cc(F)ccc1F ZINC000177959008 1126807356 /nfs/dbraw/zinc/80/73/56/1126807356.db2.gz QPJQDVYENQOXNU-HWPZZCPQSA-N 0 1 293.361 3.809 20 0 CHADMN CC(C)c1nc(CN2C[C@@H]3CCCC[C@@H]32)c2ccccn21 ZINC000668298575 1126808360 /nfs/dbraw/zinc/80/83/60/1126808360.db2.gz CWWFIOKJNVERCK-HOCLYGCPSA-N 0 1 283.419 3.832 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1cncc(F)c1 ZINC000178089257 1126808374 /nfs/dbraw/zinc/80/83/74/1126808374.db2.gz DUSKUCZNYUHEAV-QLJPJBMISA-N 0 1 274.314 3.698 20 0 CHADMN CC(C)(C)C1=CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000484078199 1126809590 /nfs/dbraw/zinc/80/95/90/1126809590.db2.gz NCOUBJZQUAYNFS-QGZVFWFLSA-N 0 1 298.430 3.618 20 0 CHADMN Cc1ncc(CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)s1 ZINC000679540065 1130537586 /nfs/dbraw/zinc/53/75/86/1130537586.db2.gz CKJDJGORBARTIG-WPRPVWTQSA-N 0 1 278.343 3.614 20 0 CHADMN FCCCN(Cc1ccco1)Cc1cccs1 ZINC000178258468 1126810947 /nfs/dbraw/zinc/81/09/47/1126810947.db2.gz QOHIJDVJVBJIHM-UHFFFAOYSA-N 0 1 253.342 3.703 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H](C)C3CC3)[nH]c2c1 ZINC000178459807 1126813377 /nfs/dbraw/zinc/81/33/77/1126813377.db2.gz VMVGMYUVLANKNY-BLLLJJGKSA-N 0 1 297.402 3.581 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@H](C)C3CC3)[nH]c2c1 ZINC000178459822 1126813653 /nfs/dbraw/zinc/81/36/53/1126813653.db2.gz VMVGMYUVLANKNY-MLGOLLRUSA-N 0 1 297.402 3.581 20 0 CHADMN C[C@@H](N[C@H](C)C1CCC1)c1noc(-c2ccccc2)n1 ZINC000178485230 1126814584 /nfs/dbraw/zinc/81/45/84/1126814584.db2.gz ZCQDVUUFEHHBBM-VXGBXAGGSA-N 0 1 271.364 3.576 20 0 CHADMN CSc1ccccc1CN1CC[C@H](C)[C@@H](F)C1 ZINC000679674498 1130550940 /nfs/dbraw/zinc/55/09/40/1130550940.db2.gz UCKUWYVEULRCFO-AAEUAGOBSA-N 0 1 253.386 3.588 20 0 CHADMN COc1ccc2nc(SC[C@@H]3CCC(C)(C)O3)[nH]c2c1 ZINC000484497974 1126822091 /nfs/dbraw/zinc/82/20/91/1126822091.db2.gz JTYRCDGSJFIDQX-NSHDSACASA-N 0 1 292.404 3.621 20 0 CHADMN CSc1ccccc1CN1CC[C@@H](C)[C@@H](F)C1 ZINC000679674503 1130551575 /nfs/dbraw/zinc/55/15/75/1130551575.db2.gz UCKUWYVEULRCFO-YPMHNXCESA-N 0 1 253.386 3.588 20 0 CHADMN COc1cccc(CN[C@H]2CCc3cc(Cl)ccc32)n1 ZINC000178755555 1126819405 /nfs/dbraw/zinc/81/94/05/1126819405.db2.gz MVKITCKXBOSPNB-HNNXBMFYSA-N 0 1 288.778 3.521 20 0 CHADMN CC(C)[C@@H](N)c1noc(CCCc2ccc(C3CC3)cc2)n1 ZINC000904075766 1126827081 /nfs/dbraw/zinc/82/70/81/1126827081.db2.gz QNYBPIICTFWHGC-QGZVFWFLSA-N 0 1 299.418 3.778 20 0 CHADMN CO[C@@H]1CCCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000679952367 1130565189 /nfs/dbraw/zinc/56/51/89/1130565189.db2.gz IRJYEPSHSLSNFU-CYBMUJFWSA-N 0 1 288.218 3.994 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccncc1 ZINC000179386415 1126826893 /nfs/dbraw/zinc/82/68/93/1126826893.db2.gz LQVFRRNSFMBLCD-FHLIZLRMSA-N 0 1 282.387 3.653 20 0 CHADMN CN[C@@H](CC(C)C)c1nc([C@H](C)C(C)(C)C)no1 ZINC000904093849 1126830338 /nfs/dbraw/zinc/83/03/38/1126830338.db2.gz DXQYRNXRSNNQOK-QWRGUYRKSA-N 0 1 253.390 3.526 20 0 CHADMN Cc1ccccc1CNCc1ccnc(Cl)c1Cl ZINC000811472087 1130614490 /nfs/dbraw/zinc/61/44/90/1130614490.db2.gz UYUPTEHEGXOBQM-UHFFFAOYSA-N 0 1 281.186 3.987 20 0 CHADMN CCN(Cc1cnn(C(C)C)c1)[C@@H](C)c1cccc(O)c1 ZINC000179805640 1126834892 /nfs/dbraw/zinc/83/48/92/1126834892.db2.gz NLGRVCCALICKIV-AWEZNQCLSA-N 0 1 287.407 3.753 20 0 CHADMN CS[C@@H](C)CC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179850368 1126836097 /nfs/dbraw/zinc/83/60/97/1126836097.db2.gz UTDQPHXUWNJLIZ-ZETCQYMHSA-N 0 1 299.346 3.581 20 0 CHADMN CC(C)n1cc(CN2CCC[C@H](Nc3ccccc3)C2)cn1 ZINC000179966491 1126837741 /nfs/dbraw/zinc/83/77/41/1126837741.db2.gz SQWRHTIZBVHMIA-SFHVURJKSA-N 0 1 298.434 3.541 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2csc3ccccc23)n1 ZINC000042892855 1126841629 /nfs/dbraw/zinc/84/16/29/1126841629.db2.gz UAQRBBCYEKDQPL-LBPRGKRZSA-N 0 1 273.361 3.607 20 0 CHADMN COC[C@@H](N[C@H](C)c1ccc(Cl)nc1)c1ccccc1 ZINC000180844250 1126849171 /nfs/dbraw/zinc/84/91/71/1126849171.db2.gz JBZZOXXOPYLJEV-IUODEOHRSA-N 0 1 290.794 3.773 20 0 CHADMN Clc1ccc2c(c1)OCCC[C@H]2NCc1cncs1 ZINC000180970604 1126850497 /nfs/dbraw/zinc/85/04/97/1126850497.db2.gz PBUMVSYJEABURZ-CYBMUJFWSA-N 0 1 294.807 3.800 20 0 CHADMN Cc1ccccc1CN(Cc1ccccn1)C1CC1 ZINC000181349861 1126854511 /nfs/dbraw/zinc/85/45/11/1126854511.db2.gz SNLOEDGGXHODIE-UHFFFAOYSA-N 0 1 252.361 3.555 20 0 CHADMN CC[C@@H]1C[N@@H+](CCCCC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000181575350 1126857980 /nfs/dbraw/zinc/85/79/80/1126857980.db2.gz HEQXZYHESULCBG-WBVHZDCISA-N 0 1 289.419 3.757 20 0 CHADMN Cc1cncc(CN[C@@H](C)c2ccccc2OC(F)F)c1 ZINC000181830472 1126861978 /nfs/dbraw/zinc/86/19/78/1126861978.db2.gz VPVPZGQCAQHZES-LBPRGKRZSA-N 0 1 292.329 3.842 20 0 CHADMN Cc1nc(CN[C@H](C)C(C)(C)c2ccccc2)oc1C ZINC000181796929 1126861600 /nfs/dbraw/zinc/86/16/00/1126861600.db2.gz YARWLKZHTFDLAU-CQSZACIVSA-N 0 1 272.392 3.747 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2ccccc21)c1nccn1C ZINC000182187900 1126867694 /nfs/dbraw/zinc/86/76/94/1126867694.db2.gz YIXONSRPESHPLB-HZPDHXFCSA-N 0 1 269.392 3.538 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2ccccc21)c1nccn1C ZINC000182187879 1126867484 /nfs/dbraw/zinc/86/74/84/1126867484.db2.gz YIXONSRPESHPLB-JKSUJKDBSA-N 0 1 269.392 3.538 20 0 CHADMN CCc1cccc(C)c1NS(=O)(=O)c1cc(C)oc1C ZINC000182765386 1126877548 /nfs/dbraw/zinc/87/75/48/1126877548.db2.gz VVXQEMGDJHYFSV-UHFFFAOYSA-N 0 1 293.388 3.568 20 0 CHADMN Cc1ccc(O[C@@H]2CCCN(C)C2)c(Cl)c1Cl ZINC001234929342 1130693209 /nfs/dbraw/zinc/69/32/09/1130693209.db2.gz DQAUQHWFKIKAMG-SNVBAGLBSA-N 0 1 274.191 3.775 20 0 CHADMN Cc1ccc(O[C@@H]2CN3CCC2CC3)c(Cl)c1Cl ZINC001234928850 1130692531 /nfs/dbraw/zinc/69/25/31/1130692531.db2.gz BAVBZMVDLSHWIK-GFCCVEGCSA-N 0 1 286.202 3.775 20 0 CHADMN CC(C)CN(CC(=O)c1ccccc1F)CC(C)C ZINC000041634961 1126898815 /nfs/dbraw/zinc/89/88/15/1126898815.db2.gz ICSDQWRPEOMYLF-UHFFFAOYSA-N 0 1 265.372 3.622 20 0 CHADMN Cc1cc(Cl)c(CN2[C@@H](C)CC[C@H]2CO)c(Cl)c1 ZINC001235176985 1130719822 /nfs/dbraw/zinc/71/98/22/1130719822.db2.gz PRWYDVJJAYSACJ-QWRGUYRKSA-N 0 1 288.218 3.647 20 0 CHADMN CCN(Cc1ccc(C(C)C)nc1Cl)C1CCOCC1 ZINC001238729831 1131238275 /nfs/dbraw/zinc/23/82/75/1131238275.db2.gz WOWPUZDXWIACCZ-UHFFFAOYSA-N 0 1 296.842 3.859 20 0 CHADMN COCC1=CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000185870600 1126904290 /nfs/dbraw/zinc/90/42/90/1126904290.db2.gz JQXFGHJUPQAOBR-LBPRGKRZSA-N 0 1 265.784 3.680 20 0 CHADMN Fc1cc(CN2CC3(C2)CCCC3)ccc1OC(F)F ZINC000485328546 1126905054 /nfs/dbraw/zinc/90/50/54/1126905054.db2.gz HFQUSQLGVNLVLD-UHFFFAOYSA-N 0 1 285.309 3.803 20 0 CHADMN COc1ccc(F)c(CN2CCC(c3ccco3)CC2)c1 ZINC000668463285 1126905534 /nfs/dbraw/zinc/90/55/34/1126905534.db2.gz NVKOBBLCLUUTHM-UHFFFAOYSA-N 0 1 289.350 3.807 20 0 CHADMN CC[C@]1(CO)CCCN([C@@H](C)c2c(F)cccc2F)C1 ZINC000187575456 1126911831 /nfs/dbraw/zinc/91/18/31/1126911831.db2.gz MHAHJMOAABKLQW-LRDDRELGSA-N 0 1 283.362 3.510 20 0 CHADMN CCCCCCN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187680504 1126912669 /nfs/dbraw/zinc/91/26/69/1126912669.db2.gz DNYZZXGTQRAWKL-OAHLLOKOSA-N 0 1 275.371 3.808 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](c1nccn1C)C1CC1)CCC2 ZINC000187770576 1126914840 /nfs/dbraw/zinc/91/48/40/1126914840.db2.gz KYNDDFVHGISVJU-ZWKOTPCHSA-N 0 1 295.430 3.847 20 0 CHADMN CC(C)NCc1cn([C@H](C)c2cccc3ccccc32)nn1 ZINC000905795981 1126915551 /nfs/dbraw/zinc/91/55/51/1126915551.db2.gz IWDRGJROGZYLLI-CQSZACIVSA-N 0 1 294.402 3.539 20 0 CHADMN CC(C)NCc1cn([C@@H](C)c2ccc(C(C)C)cc2)nn1 ZINC000905808642 1126917153 /nfs/dbraw/zinc/91/71/53/1126917153.db2.gz YTEFUDPZHSDLAL-AWEZNQCLSA-N 0 1 286.423 3.509 20 0 CHADMN O[C@@H](CN1CC[C@H]1C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000905954901 1126923257 /nfs/dbraw/zinc/92/32/57/1126923257.db2.gz DEUBTVYAPRFVKG-KBPBESRZSA-N 0 1 286.202 3.511 20 0 CHADMN Cc1cccc([C@H](O)CN2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000905957207 1126923306 /nfs/dbraw/zinc/92/33/06/1126923306.db2.gz MBWCEBJXRMEEPI-QZTJIDSGSA-N 0 1 296.414 3.507 20 0 CHADMN CCCCN(CCC)Cc1cc(OCC)ncc1F ZINC001238723758 1131238855 /nfs/dbraw/zinc/23/88/55/1131238855.db2.gz BOGPJVRHCALZCZ-UHFFFAOYSA-N 0 1 268.376 3.632 20 0 CHADMN CCCSCc1cccc(-c2cnc(CNC)nc2)c1 ZINC000906157090 1126930872 /nfs/dbraw/zinc/93/08/72/1126930872.db2.gz BCKWHAZOIFMAQU-UHFFFAOYSA-N 0 1 287.432 3.506 20 0 CHADMN CCSc1cc(CNCc2ccc(F)cc2)ccn1 ZINC000189597386 1126933287 /nfs/dbraw/zinc/93/32/87/1126933287.db2.gz OUFFVEBNIVWKJM-UHFFFAOYSA-N 0 1 276.380 3.623 20 0 CHADMN Cc1cc(F)c(-c2cnc([C@@H]3CCCCN3)nc2)c(F)c1 ZINC000906177575 1126934486 /nfs/dbraw/zinc/93/44/86/1126934486.db2.gz GERITFNPJHHGQQ-AWEZNQCLSA-N 0 1 289.329 3.545 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1[C@@H](C)CC[C@@H]1C ZINC000191158291 1126948728 /nfs/dbraw/zinc/94/87/28/1126948728.db2.gz LYHPBGQHFHRGQX-DCAQKATOSA-N 0 1 277.393 3.732 20 0 CHADMN CC(C)=CCN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000191258636 1126949505 /nfs/dbraw/zinc/94/95/05/1126949505.db2.gz VTJAKAWKNAXHHI-NSHDSACASA-N 0 1 250.411 3.639 20 0 CHADMN CCCC[C@H](C)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000191602489 1126953926 /nfs/dbraw/zinc/95/39/26/1126953926.db2.gz MHJAXODJXWNELA-KBPBESRZSA-N 0 1 287.407 3.890 20 0 CHADMN Cc1nc(CN2CCC(c3ccncc3)CC2)sc1C ZINC000191678839 1126954270 /nfs/dbraw/zinc/95/42/70/1126954270.db2.gz JNEGPEMGHCAGQU-UHFFFAOYSA-N 0 1 287.432 3.535 20 0 CHADMN Fc1ccc(CN2CCC(c3ccncc3)CC2)cc1F ZINC000191663265 1126954632 /nfs/dbraw/zinc/95/46/32/1126954632.db2.gz AULSFHUEHIYLKT-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN c1nc(CN2CCC[C@@H]2CCCc2ccccc2)co1 ZINC000191947194 1126956469 /nfs/dbraw/zinc/95/64/69/1126956469.db2.gz DJQBFYRMDRTNCW-KRWDZBQOSA-N 0 1 270.376 3.662 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1ccc(-c2cnco2)cc1 ZINC000906526032 1126957113 /nfs/dbraw/zinc/95/71/13/1126957113.db2.gz BLGJYARQNZMFCB-LLVKDONJSA-N 0 1 297.358 3.797 20 0 CHADMN C[C@@H]1CN([C@H]2C[C@@H]2c2cccc(F)c2)CCC1(F)F ZINC000906590125 1126959551 /nfs/dbraw/zinc/95/95/51/1126959551.db2.gz NFGLUFCRZBXCQU-HONMWMINSA-N 0 1 269.310 3.659 20 0 CHADMN CC(C)N(Cc1noc(-c2ccsc2)n1)CC1CCC1 ZINC000193203935 1126967344 /nfs/dbraw/zinc/96/73/44/1126967344.db2.gz RFXJUPZQPMOWJF-UHFFFAOYSA-N 0 1 291.420 3.809 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)Nc1ccsc1Cl ZINC000194239901 1126972729 /nfs/dbraw/zinc/97/27/29/1126972729.db2.gz KBYQMLAHQMVDKS-UHFFFAOYSA-N 0 1 269.757 3.500 20 0 CHADMN C[C@H]1SCCN(Cc2cnc(-c3ccco3)s2)[C@H]1C ZINC000194404265 1126974155 /nfs/dbraw/zinc/97/41/55/1126974155.db2.gz QASVUPZLGXWMIH-WDEREUQCSA-N 0 1 294.445 3.729 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2ccc3oc(C)c(C)c3c2)[nH]1 ZINC000907462408 1126979424 /nfs/dbraw/zinc/97/94/24/1126979424.db2.gz CRCNBLMJSOBYHM-UHFFFAOYSA-N 0 1 283.331 3.642 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN(C)[C@@H]1CC(C)(C)OC1=O ZINC000814179778 1130836774 /nfs/dbraw/zinc/83/67/74/1130836774.db2.gz HJDINDBCONKMSM-HUUCEWRRSA-N 0 1 281.440 3.785 20 0 CHADMN CC[C@@H](NCc1scnc1C)c1cc(F)ccc1F ZINC000266121926 1126979843 /nfs/dbraw/zinc/97/98/43/1126979843.db2.gz AFWRZFGOXFWYDT-CYBMUJFWSA-N 0 1 282.359 3.971 20 0 CHADMN CCC1(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)CC1 ZINC000267184000 1126994870 /nfs/dbraw/zinc/99/48/70/1126994870.db2.gz IOMBCBKDHNVDDM-CQSZACIVSA-N 0 1 299.374 3.543 20 0 CHADMN Clc1ccc([C@@H]2CCN2CCc2ccccn2)cc1 ZINC000267380843 1126999032 /nfs/dbraw/zinc/99/90/32/1126999032.db2.gz UTJCKTLNIILJBJ-INIZCTEOSA-N 0 1 272.779 3.725 20 0 CHADMN Cc1cccc(CN(CCC(C)(C)O)Cc2ccccn2)c1 ZINC000267412966 1126999428 /nfs/dbraw/zinc/99/94/28/1126999428.db2.gz ISEWVPQQQFQQKZ-UHFFFAOYSA-N 0 1 298.430 3.553 20 0 CHADMN C[C@@H](N[C@@H](c1nccn1C)c1ccc(Cl)cc1)C1CC1 ZINC000267269716 1126996332 /nfs/dbraw/zinc/99/63/32/1126996332.db2.gz RXQLGKHLGZBWPL-IAQYHMDHSA-N 0 1 289.810 3.551 20 0 CHADMN COc1ncccc1CN(C)[C@@H](C)c1cc(C)ccc1C ZINC000486706361 1126996649 /nfs/dbraw/zinc/99/66/49/1126996649.db2.gz ZBQUWBSPSNMUBG-HNNXBMFYSA-N 0 1 284.403 3.900 20 0 CHADMN Cc1cc([C@@H]2CCN(CC3(F)CC3)C2)c(O)cc1Cl ZINC000668679008 1127001576 /nfs/dbraw/zinc/00/15/76/1127001576.db2.gz XIVNOMWEBXOEFA-LLVKDONJSA-N 0 1 283.774 3.645 20 0 CHADMN COc1ncccc1CN(C)[C@@H](C)c1ccc(C)cc1C ZINC000486812084 1127003357 /nfs/dbraw/zinc/00/33/57/1127003357.db2.gz NXPFUXIPQJCMTE-HNNXBMFYSA-N 0 1 284.403 3.900 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1CC(=O)Nc1ccccc1F ZINC000486815177 1127004512 /nfs/dbraw/zinc/00/45/12/1127004512.db2.gz XWPOSKIUIKWQOB-BBRMVZONSA-N 0 1 292.398 3.665 20 0 CHADMN C[C@@H](c1ccco1)N(C[C@@H](O)c1ccccc1F)C1CC1 ZINC000267906142 1127007964 /nfs/dbraw/zinc/00/79/64/1127007964.db2.gz AWMYBMXSUMCGDH-BLLLJJGKSA-N 0 1 289.350 3.678 20 0 CHADMN CCC(CC)(NCc1ccn(C)n1)c1ccc(Cl)cc1 ZINC000268015457 1127009789 /nfs/dbraw/zinc/00/97/89/1127009789.db2.gz GKRBLVVBHWYJJS-UHFFFAOYSA-N 0 1 291.826 3.879 20 0 CHADMN Cc1csc(CN2CCC(n3c(C)ccc3C)CC2)n1 ZINC000268055355 1127010285 /nfs/dbraw/zinc/01/02/85/1127010285.db2.gz XWNGBJHKULTVTA-UHFFFAOYSA-N 0 1 289.448 3.707 20 0 CHADMN CCc1noc(C)c1CN[C@@H](C)c1cccc(F)c1 ZINC000268118800 1127012183 /nfs/dbraw/zinc/01/21/83/1127012183.db2.gz FJSFRZULXDCRCC-JTQLQIEISA-N 0 1 262.328 3.535 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN2CCC(c3ccon3)CC2)o1 ZINC000668713987 1127012692 /nfs/dbraw/zinc/01/26/92/1127012692.db2.gz GTYZGNMLYPXGIO-IUODEOHRSA-N 0 1 286.375 3.771 20 0 CHADMN CC(C)c1cccc(N(C)C(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000268165486 1127013248 /nfs/dbraw/zinc/01/32/48/1127013248.db2.gz QYGJBCKRHWEPFO-OAHLLOKOSA-N 0 1 297.402 3.616 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN1CCc2nccnc2C1 ZINC000668734756 1127016791 /nfs/dbraw/zinc/01/67/91/1127016791.db2.gz SHDFXHSPJDOXRJ-OAHLLOKOSA-N 0 1 273.424 3.607 20 0 CHADMN COCc1ccc(CN[C@H](c2ccccc2C)C2CC2)o1 ZINC000268781954 1127023961 /nfs/dbraw/zinc/02/39/61/1127023961.db2.gz IURYAVUFEFQWDG-SFHVURJKSA-N 0 1 285.387 3.975 20 0 CHADMN CC1(C)C[C@@H](NCc2cn3ccsc3n2)c2ccccc21 ZINC000268801887 1127024674 /nfs/dbraw/zinc/02/46/74/1127024674.db2.gz KOCGDSSDYTWPNL-OAHLLOKOSA-N 0 1 297.427 3.908 20 0 CHADMN Cc1c(Cl)cnn1CN1CC[C@H](c2ccc(C)cc2)C1 ZINC000784022814 1127019856 /nfs/dbraw/zinc/01/98/56/1127019856.db2.gz AKBWHAXNBVIYLN-HNNXBMFYSA-N 0 1 289.810 3.600 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2ccccn2)ccc1F ZINC000268704322 1127020740 /nfs/dbraw/zinc/02/07/40/1127020740.db2.gz HIPCGPUCOVCBQR-OLZOCXBDSA-N 0 1 258.340 3.941 20 0 CHADMN Cc1csc(CN2CCC(c3ccc(O)cc3)CC2)n1 ZINC000268712344 1127021072 /nfs/dbraw/zinc/02/10/72/1127021072.db2.gz XSEORLWFNHYIQW-UHFFFAOYSA-N 0 1 288.416 3.537 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cn3cc(C)cnc3=S)C2)cc1 ZINC000784024132 1127022951 /nfs/dbraw/zinc/02/29/51/1127022951.db2.gz XHYHRFYSGPBXCF-MRXNPFEDSA-N 0 1 299.443 3.676 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc(N3CCCCC3)nc2)o1 ZINC000268768617 1127023418 /nfs/dbraw/zinc/02/34/18/1127023418.db2.gz KNCUEWWXZHPQKY-HNNXBMFYSA-N 0 1 299.418 3.824 20 0 CHADMN Cc1ncc([C@H](C)N[C@H]2CCc3cc(F)ccc32)c(C)n1 ZINC000268811175 1127025190 /nfs/dbraw/zinc/02/51/90/1127025190.db2.gz AZNUISDVMOZWRH-GTNSWQLSSA-N 0 1 285.366 3.571 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cn3cc(C)ccc3n2)s1 ZINC000268822214 1127025824 /nfs/dbraw/zinc/02/58/24/1127025824.db2.gz ABVZZQWTOVXXPS-CYBMUJFWSA-N 0 1 285.416 3.863 20 0 CHADMN C[C@H](NC[C@@H](O)C(F)(F)F)c1ccc(-c2ccccc2)o1 ZINC000268858207 1127026644 /nfs/dbraw/zinc/02/66/44/1127026644.db2.gz RLTZQLWSXXIRKC-IINYFYTJSA-N 0 1 299.292 3.520 20 0 CHADMN CCCCOc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000268858016 1127026654 /nfs/dbraw/zinc/02/66/54/1127026654.db2.gz REMGXLBVCGJKJO-KRWDZBQOSA-N 0 1 299.418 3.756 20 0 CHADMN Cc1ccn2cc(CN[C@@H](C)c3cccs3)nc2c1 ZINC000268902749 1127028539 /nfs/dbraw/zinc/02/85/39/1127028539.db2.gz MNCFCYHTVIWSPZ-LBPRGKRZSA-N 0 1 271.389 3.555 20 0 CHADMN Cc1ccn2cc(CN[C@H]3c4ccccc4C[C@@H]3C)nc2c1 ZINC000268922537 1127028923 /nfs/dbraw/zinc/02/89/23/1127028923.db2.gz QQIHHKGNBRBCOS-IFXJQAMLSA-N 0 1 291.398 3.666 20 0 CHADMN Cc1c(CN(C)[C@@H](C)c2ccc(Cl)cc2)cnn1C ZINC000268930018 1127029282 /nfs/dbraw/zinc/02/92/82/1127029282.db2.gz QTMJFSHFWRNLFR-NSHDSACASA-N 0 1 277.799 3.575 20 0 CHADMN CN(Cc1cscc1C(F)(F)F)CC1=CCSC1 ZINC000668775405 1127029445 /nfs/dbraw/zinc/02/94/45/1127029445.db2.gz VSGZVRDHPBVHAV-UHFFFAOYSA-N 0 1 293.379 3.872 20 0 CHADMN COc1ccc([C@@H](C)NCc2cn3ccc(C)cc3n2)cc1 ZINC000268950210 1127029708 /nfs/dbraw/zinc/02/97/08/1127029708.db2.gz XLKBIYUOKJZOJL-CQSZACIVSA-N 0 1 295.386 3.502 20 0 CHADMN C[C@H]1CCN(Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000268946741 1127029807 /nfs/dbraw/zinc/02/98/07/1127029807.db2.gz UQSOJLQWXQAXIL-VIFPVBQESA-N 0 1 284.281 3.688 20 0 CHADMN C[C@@H](N[C@@H](C)c1noc(-c2ccccc2)n1)[C@@H]1CC1(C)C ZINC000487316115 1127033508 /nfs/dbraw/zinc/03/35/08/1127033508.db2.gz BVRVDRJCZBBRQY-DYEKYZERSA-N 0 1 285.391 3.822 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1cncs1 ZINC000269041254 1127033564 /nfs/dbraw/zinc/03/35/64/1127033564.db2.gz UHDVAASDTPZFLO-NOZJJQNGSA-N 0 1 262.353 3.620 20 0 CHADMN C[C@@H](N[C@@H](CCCO)c1ccccc1)c1ccccc1F ZINC000269000139 1127031422 /nfs/dbraw/zinc/03/14/22/1127031422.db2.gz OXCRCPXQIDWASR-KDOFPFPSSA-N 0 1 287.378 3.990 20 0 CHADMN CC[C@@H]1CCC[C@H](CN(C)[C@@H](C)c2nc(C)no2)C1 ZINC000569825231 1127031791 /nfs/dbraw/zinc/03/17/91/1127031791.db2.gz NSUGEGIBBUWDOS-YUTCNCBUSA-N 0 1 265.401 3.587 20 0 CHADMN COc1cccc2c1CC[C@@H]2NCc1ccc(C)cc1OC ZINC000269028738 1127032524 /nfs/dbraw/zinc/03/25/24/1127032524.db2.gz SOTKGQZXWSFIPX-KRWDZBQOSA-N 0 1 297.398 3.789 20 0 CHADMN COCc1ccc(CN[C@H]2CC(C)(C)c3ccccc32)o1 ZINC000269276994 1127036941 /nfs/dbraw/zinc/03/69/41/1127036941.db2.gz IWXYIXWOLYSZAA-KRWDZBQOSA-N 0 1 285.387 3.938 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H](C)COc2cccc(F)c2)cs1 ZINC000269423321 1127040112 /nfs/dbraw/zinc/04/01/12/1127040112.db2.gz MMSGXMFKGSTCAO-WDEREUQCSA-N 0 1 294.395 3.709 20 0 CHADMN Cc1occc1CNCc1cccc(C(F)(F)F)c1 ZINC000067218086 1127043986 /nfs/dbraw/zinc/04/39/86/1127043986.db2.gz MJZWLTLCFYRMCR-UHFFFAOYSA-N 0 1 269.266 3.897 20 0 CHADMN Cc1ccncc1CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000269484218 1127040906 /nfs/dbraw/zinc/04/09/06/1127040906.db2.gz BLCYWOIVAFKKFT-GFCCVEGCSA-N 0 1 276.330 3.861 20 0 CHADMN Cc1ccc(OC2CCN(Cc3cnccc3C)CC2)cc1 ZINC000269556414 1127041157 /nfs/dbraw/zinc/04/11/57/1127041157.db2.gz BHYTWEVYHOCPLH-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN C[C@@H](CC1CCCC1)C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000269904625 1127047641 /nfs/dbraw/zinc/04/76/41/1127047641.db2.gz HMLDDGWIAVGKCG-LBPRGKRZSA-N 0 1 298.390 3.627 20 0 CHADMN COCCN(Cc1csc(C2CC2)n1)[C@H]1CCC[C@@H]1C ZINC000488013312 1127052286 /nfs/dbraw/zinc/05/22/86/1127052286.db2.gz WAKJGNQIHCMVMW-WFASDCNBSA-N 0 1 294.464 3.658 20 0 CHADMN Cc1cnccc1-c1cccc2nc(C(F)(F)F)[nH]c21 ZINC001240610336 1127050658 /nfs/dbraw/zinc/05/06/58/1127050658.db2.gz LHGWBNXYGVOZCL-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN CCCN(CC)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000270672288 1127061096 /nfs/dbraw/zinc/06/10/96/1127061096.db2.gz APIKHRBLYDXACS-GFCCVEGCSA-N 0 1 259.353 3.530 20 0 CHADMN Cc1ccc2oc(N[C@H](C)c3n[nH]c(C(C)C)n3)nc2c1 ZINC000270748293 1127061533 /nfs/dbraw/zinc/06/15/33/1127061533.db2.gz XJRRBBHSQKGLCR-SNVBAGLBSA-N 0 1 285.351 3.551 20 0 CHADMN Cc1ncsc1CN(Cc1cccs1)C(C)C ZINC000271094208 1127068532 /nfs/dbraw/zinc/06/85/32/1127068532.db2.gz XXPATJSIRNTMTG-UHFFFAOYSA-N 0 1 266.435 3.924 20 0 CHADMN Cc1n[nH]c(C)c1CN(Cc1cccc(F)c1)C(C)C ZINC000271074823 1127068091 /nfs/dbraw/zinc/06/80/91/1127068091.db2.gz NUGZGNGFAGLSTA-UHFFFAOYSA-N 0 1 275.371 3.576 20 0 CHADMN c1ccc(-c2cccc(C[N@H+]3CCO[C@H]4CCC[C@H]43)c2)nc1 ZINC000271129220 1127069371 /nfs/dbraw/zinc/06/93/71/1127069371.db2.gz OPPXUTKNSFDBKE-MOPGFXCFSA-N 0 1 294.398 3.502 20 0 CHADMN c1ccc(-c2cccc(CN3CCO[C@H]4CCC[C@H]43)c2)nc1 ZINC000271129220 1127069373 /nfs/dbraw/zinc/06/93/73/1127069373.db2.gz OPPXUTKNSFDBKE-MOPGFXCFSA-N 0 1 294.398 3.502 20 0 CHADMN C[C@H](Cc1ccccc1F)N[C@@H](C)c1cscn1 ZINC000271188687 1127072088 /nfs/dbraw/zinc/07/20/88/1127072088.db2.gz XEXNYSMLHKECBU-MNOVXSKESA-N 0 1 264.369 3.564 20 0 CHADMN CC[C@@H](CN[C@@H](C)c1cscn1)Oc1ccccc1F ZINC000271195361 1127072505 /nfs/dbraw/zinc/07/25/05/1127072505.db2.gz YFTHIEXYFFRZAQ-RYUDHWBXSA-N 0 1 294.395 3.790 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cccc(C)c1C ZINC000271233434 1127073469 /nfs/dbraw/zinc/07/34/69/1127073469.db2.gz BVUHXVSZLDYUBF-UHFFFAOYSA-N 0 1 279.290 3.525 20 0 CHADMN CCc1cc(C(=O)N2CCC[C@@H]2CCC2CCCC2)n[nH]1 ZINC000488309484 1127072775 /nfs/dbraw/zinc/07/27/75/1127072775.db2.gz DNSFFKCUNVXGAF-OAHLLOKOSA-N 0 1 289.423 3.547 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H](C)CC1CCCC1 ZINC000271301219 1127075460 /nfs/dbraw/zinc/07/54/60/1127075460.db2.gz SKJVAOZDXFECPE-QMMMGPOBSA-N 0 1 285.338 3.811 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C1CCCCCC1 ZINC000271364112 1127076633 /nfs/dbraw/zinc/07/66/33/1127076633.db2.gz NYXPCCFOLVKZRQ-UHFFFAOYSA-N 0 1 271.311 3.565 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)N[C@H](CO)c1ccsc1 ZINC000815617906 1131009529 /nfs/dbraw/zinc/00/95/29/1131009529.db2.gz XYACLFRYJFHNNR-XHDPSFHLSA-N 0 1 279.380 3.580 20 0 CHADMN COC[C@@H](NCc1cncc(C)c1)c1ccc(Cl)cc1 ZINC000488736446 1127081601 /nfs/dbraw/zinc/08/16/01/1127081601.db2.gz QAEDONCIEPSBAQ-MRXNPFEDSA-N 0 1 290.794 3.521 20 0 CHADMN Cc1cccc([C@@H](C)N[C@H]2CCCc3c[nH]nc32)c1C ZINC000271454173 1127082959 /nfs/dbraw/zinc/08/29/59/1127082959.db2.gz FGKUULBLHDJSGG-CJNGLKHVSA-N 0 1 269.392 3.755 20 0 CHADMN C[C@H](N[C@@H]1CC2(CCC2)Oc2ccccc21)c1cn[nH]c1 ZINC000271457802 1127084070 /nfs/dbraw/zinc/08/40/70/1127084070.db2.gz GYRKEJZMCPNQHR-SWLSCSKDSA-N 0 1 283.375 3.507 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000271483500 1127085550 /nfs/dbraw/zinc/08/55/50/1127085550.db2.gz NRZJCQXBCSWVKC-UGSOOPFHSA-N 0 1 287.378 3.772 20 0 CHADMN OC[C@H](N[C@H]1CCCc2sccc21)c1ccc(F)cc1 ZINC000271485402 1127085780 /nfs/dbraw/zinc/08/57/80/1127085780.db2.gz OEXXLLHOOUJJLA-GJZGRUSLSA-N 0 1 291.391 3.588 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(C(C)C)cc2)ncn1 ZINC000271500917 1127086524 /nfs/dbraw/zinc/08/65/24/1127086524.db2.gz MAITVDFKZGIKPF-AWEZNQCLSA-N 0 1 269.392 3.759 20 0 CHADMN CCC[C@H](N[C@@H](C)c1n[nH]c(CC)n1)c1ccccc1 ZINC000271497678 1127086999 /nfs/dbraw/zinc/08/69/99/1127086999.db2.gz LSHLIAZSTGKEIC-JSGCOSHPSA-N 0 1 272.396 3.559 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H]2CCCc3c[nH]nc32)cc1C ZINC000271513681 1127087837 /nfs/dbraw/zinc/08/78/37/1127087837.db2.gz OJNXWSRXWAHLEW-CZUORRHYSA-N 0 1 269.392 3.755 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@H]2CCCc3c[nH]nc32)cc1 ZINC000271505466 1127088050 /nfs/dbraw/zinc/08/80/50/1127088050.db2.gz MTBRFNZBNSFWMQ-WBMJQRKESA-N 0 1 285.391 3.537 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](C)c2ccc3c(c2)CCCC3)n[nH]1 ZINC000271524835 1127088375 /nfs/dbraw/zinc/08/83/75/1127088375.db2.gz OXFAGNHWMAZLEQ-STQMWFEESA-N 0 1 298.434 3.658 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2CCCc3c[nH]nc32)s1 ZINC000271542476 1127090547 /nfs/dbraw/zinc/09/05/47/1127090547.db2.gz SVTLELHOYPQKIM-CMPLNLGQSA-N 0 1 261.394 3.508 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](CO)c2ccc(F)cc2)cc1 ZINC000271545241 1127090718 /nfs/dbraw/zinc/09/07/18/1127090718.db2.gz ZDMZEMJPDNSYSR-SUMWQHHRSA-N 0 1 273.351 3.518 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1cnc2ccsc2c1 ZINC000271542534 1127090867 /nfs/dbraw/zinc/09/08/67/1127090867.db2.gz SWIFQDGQEZQQDE-QMTHXVAHSA-N 0 1 298.415 3.748 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](CC)c2ccc(CC)cc2)n[nH]1 ZINC000271560933 1127091747 /nfs/dbraw/zinc/09/17/47/1127091747.db2.gz UIJUTDNFPXSVJJ-WFASDCNBSA-N 0 1 286.423 3.731 20 0 CHADMN CCC[C@@H](C)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000273887225 1127101341 /nfs/dbraw/zinc/10/13/41/1127101341.db2.gz LFYLZJRGDPKSOK-SECBINFHSA-N 0 1 256.309 3.517 20 0 CHADMN OC[C@H](NCc1ccc(C(F)F)cc1)c1ccc(F)cc1 ZINC000274150210 1127109527 /nfs/dbraw/zinc/10/95/27/1127109527.db2.gz KWNXFWPORZZRQU-HNNXBMFYSA-N 0 1 295.304 3.587 20 0 CHADMN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc(F)c1O ZINC001274623197 1127111268 /nfs/dbraw/zinc/11/12/68/1127111268.db2.gz HEKMRKPCJGSSRX-VXGBXAGGSA-N 0 1 293.382 3.818 20 0 CHADMN CC[N@@H+](Cc1cncc(F)c1)[C@@H](C)c1cccc(O)c1 ZINC000274320669 1127112557 /nfs/dbraw/zinc/11/25/57/1127112557.db2.gz CRPBJLHUPRIMJE-LBPRGKRZSA-N 0 1 274.339 3.509 20 0 CHADMN CCN(Cc1cncc(F)c1)[C@@H](C)c1cccc(O)c1 ZINC000274320669 1127112560 /nfs/dbraw/zinc/11/25/60/1127112560.db2.gz CRPBJLHUPRIMJE-LBPRGKRZSA-N 0 1 274.339 3.509 20 0 CHADMN COCc1ccc([C@@H]2CCCN2[C@H](C)c2cccnc2)o1 ZINC000274461203 1127119965 /nfs/dbraw/zinc/11/99/65/1127119965.db2.gz MNZWCJLZZGYTTA-CJNGLKHVSA-N 0 1 286.375 3.719 20 0 CHADMN C[C@H](CCCC(F)(F)F)NCc1nccc(C(F)F)n1 ZINC000348641518 1127123119 /nfs/dbraw/zinc/12/31/19/1127123119.db2.gz LOZIKTRYTAXVHB-MRVPVSSYSA-N 0 1 297.271 3.625 20 0 CHADMN CC(C)C[C@@H](C)C[C@H](C)NCc1nccc(C(F)F)n1 ZINC000348752224 1127126367 /nfs/dbraw/zinc/12/63/67/1127126367.db2.gz GIVWRLWISGBVSG-NEPJUHHUSA-N 0 1 285.382 3.965 20 0 CHADMN CC(C)C[C@H](C)C[C@@H](C)NCc1nccc(C(F)F)n1 ZINC000348752225 1127126804 /nfs/dbraw/zinc/12/68/04/1127126804.db2.gz GIVWRLWISGBVSG-NWDGAFQWSA-N 0 1 285.382 3.965 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](C)c2cc(F)cc(F)c2)ccn1 ZINC000348675437 1127124461 /nfs/dbraw/zinc/12/44/61/1127124461.db2.gz BHLUXFXCGILLKJ-MNOVXSKESA-N 0 1 292.329 3.780 20 0 CHADMN COc1cc([C@@H](C)N[C@H](C)c2ccccc2OC)ccn1 ZINC000348681903 1127124529 /nfs/dbraw/zinc/12/45/29/1127124529.db2.gz MDHMNPJMVLOVHC-CHWSQXEVSA-N 0 1 286.375 3.511 20 0 CHADMN C[C@H](N[C@H](c1ccc(F)cc1)C(C)(C)C)c1cn(C)cn1 ZINC000924857496 1127132961 /nfs/dbraw/zinc/13/29/61/1127132961.db2.gz SDCFUXMOWPHHFQ-BLLLJJGKSA-N 0 1 289.398 3.997 20 0 CHADMN CCCC1CCN(Cc2sc(=O)[nH]c2Cl)CC1 ZINC001237149894 1131057377 /nfs/dbraw/zinc/05/73/77/1131057377.db2.gz KLGMKMUQAZHQAW-UHFFFAOYSA-N 0 1 274.817 3.514 20 0 CHADMN CCCCCn1cc(CN[C@@H](C)c2ccncc2)c(C)n1 ZINC000348951805 1127135489 /nfs/dbraw/zinc/13/54/89/1127135489.db2.gz WPJQZSYCNOITDU-AWEZNQCLSA-N 0 1 286.423 3.628 20 0 CHADMN CCN(Cc1ccncc1)Cc1cc(F)cc(Cl)c1 ZINC000348932639 1127135663 /nfs/dbraw/zinc/13/56/63/1127135663.db2.gz FNPUXPYQXLRUKM-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN C[C@H](c1ccccn1)N1CC[C@@H](OCC[Si](C)(C)C)C1 ZINC001224906491 1127136351 /nfs/dbraw/zinc/13/63/51/1127136351.db2.gz ISCZXXFGLPSBFV-HUUCEWRRSA-N 0 1 292.499 3.572 20 0 CHADMN CN(CCSC1CCCCC1)Cc1cccnc1 ZINC000283406154 1127136518 /nfs/dbraw/zinc/13/65/18/1127136518.db2.gz VLJFMEJBWJNUDL-UHFFFAOYSA-N 0 1 264.438 3.579 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)[C@@H]2CCCC[C@@H]2C)[nH]1 ZINC000283477643 1127139733 /nfs/dbraw/zinc/13/97/33/1127139733.db2.gz MWROOWBVMWZQBS-XHDPSFHLSA-N 0 1 285.391 3.522 20 0 CHADMN CC(C)(C)c1cnc(CN2CCC[C@]2(C)CCCO)s1 ZINC000349132349 1127141002 /nfs/dbraw/zinc/14/10/02/1127141002.db2.gz RTSHTUUVJNAACE-MRXNPFEDSA-N 0 1 296.480 3.568 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccsc1)c1ccc(F)c(Cl)c1 ZINC000349359499 1127148929 /nfs/dbraw/zinc/14/89/29/1127148929.db2.gz YPUPOLDORCTRLJ-XPTSAGLGSA-N 0 1 299.798 3.925 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccsc1)c1ccc(F)c(Cl)c1 ZINC000349359498 1127149122 /nfs/dbraw/zinc/14/91/22/1127149122.db2.gz YPUPOLDORCTRLJ-OTYXRUKQSA-N 0 1 299.798 3.925 20 0 CHADMN Cc1ccsc1CN[C@@H](c1ccccc1)c1cncnc1 ZINC000349501074 1127152452 /nfs/dbraw/zinc/15/24/52/1127152452.db2.gz QDKZZOFKDFJLKI-KRWDZBQOSA-N 0 1 295.411 3.726 20 0 CHADMN Cc1cc(Br)c(CN2CCC[C@@H](C)C2)cc1O ZINC001237294199 1131079071 /nfs/dbraw/zinc/07/90/71/1131079071.db2.gz HRJZPQALURJQSG-SNVBAGLBSA-N 0 1 298.224 3.695 20 0 CHADMN Cc1cc(C(=O)N2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)n[nH]1 ZINC000349408356 1127150428 /nfs/dbraw/zinc/15/04/28/1127150428.db2.gz PQIIHCSTYWIXRB-SUMWQHHRSA-N 0 1 297.402 3.640 20 0 CHADMN CCSc1cccc(CNCc2ccc(F)cn2)c1 ZINC000349646739 1127156507 /nfs/dbraw/zinc/15/65/07/1127156507.db2.gz RCRYBJMZVDDLSL-UHFFFAOYSA-N 0 1 276.380 3.623 20 0 CHADMN COc1ccsc1CN(C)Cc1cccc(C)c1 ZINC000349706481 1127158234 /nfs/dbraw/zinc/15/82/34/1127158234.db2.gz LMGKWMJXZLANCF-UHFFFAOYSA-N 0 1 261.390 3.697 20 0 CHADMN Cc1cc(C)c(CN(C)Cc2ccccn2)c(C)c1 ZINC000349731894 1127159563 /nfs/dbraw/zinc/15/95/63/1127159563.db2.gz LYHRNYXNZUIIQO-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN CC(C)n1ncnc1CN1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000646052493 1127162900 /nfs/dbraw/zinc/16/29/00/1127162900.db2.gz VKSVUBSKTWMAGR-LSDHHAIUSA-N 0 1 290.455 3.507 20 0 CHADMN Cc1nsc(C)c1CN(C)Cc1ccc(C)cc1 ZINC000571742393 1127166972 /nfs/dbraw/zinc/16/69/72/1127166972.db2.gz OKJMOPYMQUVBIX-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN CC[C@H]1CCN([C@@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000283999340 1127168734 /nfs/dbraw/zinc/16/87/34/1127168734.db2.gz GPTDNKNOUVGXNZ-STQMWFEESA-N 0 1 271.364 3.530 20 0 CHADMN CC(C)c1cccc(CN2CCCCC23COC3)c1 ZINC001237461624 1131101414 /nfs/dbraw/zinc/10/14/14/1131101414.db2.gz INEKILNPBYWWSA-UHFFFAOYSA-N 0 1 259.393 3.565 20 0 CHADMN CCn1nc(C)c(CN2CCc3sccc3[C@H]2C)c1C ZINC000350035106 1127171284 /nfs/dbraw/zinc/17/12/84/1127171284.db2.gz NJCYXBXXFPYUBA-GFCCVEGCSA-N 0 1 289.448 3.701 20 0 CHADMN COc1c(C)cc(CN(C)Cc2ccc(C)o2)cc1C ZINC000350079034 1127172276 /nfs/dbraw/zinc/17/22/76/1127172276.db2.gz UHQOXPSFADGMCY-UHFFFAOYSA-N 0 1 273.376 3.845 20 0 CHADMN Cc1cc(CNC2(c3ccccc3)CC2)cnc1Cl ZINC000760676576 1127172921 /nfs/dbraw/zinc/17/29/21/1127172921.db2.gz BWZRJDDBKRMCON-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C)CCC2CCCCC2)c1 ZINC000588109841 1127173716 /nfs/dbraw/zinc/17/37/16/1127173716.db2.gz BBZDBIUTXRHUFT-UHFFFAOYSA-N 0 1 299.418 3.914 20 0 CHADMN Cc1occc1CN(C)c1ccnc(C)c1Cl ZINC000350311180 1127177470 /nfs/dbraw/zinc/17/74/70/1127177470.db2.gz FSPHATQAILDUGN-UHFFFAOYSA-N 0 1 250.729 3.581 20 0 CHADMN COC(C)(C)CN(C)Cc1ccc(Oc2ccccc2)o1 ZINC000543744701 1127179239 /nfs/dbraw/zinc/17/92/39/1127179239.db2.gz GYXXZFYJYGYCRM-UHFFFAOYSA-N 0 1 289.375 3.929 20 0 CHADMN Cc1cc([C@@H](C)NCCc2ccccc2C(F)(F)F)no1 ZINC000284287774 1127180478 /nfs/dbraw/zinc/18/04/78/1127180478.db2.gz XRIUUNORJNLQQW-LLVKDONJSA-N 0 1 298.308 3.895 20 0 CHADMN COc1ncc([C@@H](C)NCc2cccs2)cc1Cl ZINC000284417124 1127182774 /nfs/dbraw/zinc/18/27/74/1127182774.db2.gz QNGCHQUACQIINY-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN C[C@H]1CN(CCCc2c(F)cccc2Cl)[C@H]1C ZINC000816646916 1131119473 /nfs/dbraw/zinc/11/94/73/1131119473.db2.gz KRPRGBYIGVVWMC-QWRGUYRKSA-N 0 1 255.764 3.752 20 0 CHADMN C[C@@H]1CN(Cc2ccc(OCC(F)(F)F)c(F)c2)[C@@H]1C ZINC000816648100 1131121333 /nfs/dbraw/zinc/12/13/33/1131121333.db2.gz DSPRXUFUPVCCRE-NXEZZACHSA-N 0 1 291.288 3.607 20 0 CHADMN Cc1ccc(CNCc2cnc(C(C)(C)C)nc2)c(C)c1 ZINC000284527032 1127188170 /nfs/dbraw/zinc/18/81/70/1127188170.db2.gz ZQWSUUGFSMIUJG-UHFFFAOYSA-N 0 1 283.419 3.681 20 0 CHADMN Cc1ccccc1-c1nc(CN2CCC[C@@H]2C(C)C)no1 ZINC000351472102 1127188880 /nfs/dbraw/zinc/18/88/80/1127188880.db2.gz OADLCRAVBDVZII-OAHLLOKOSA-N 0 1 285.391 3.665 20 0 CHADMN C[C@H](NCc1ccnc(OC(F)F)c1)c1cccc(F)c1 ZINC000284577493 1127190969 /nfs/dbraw/zinc/19/09/69/1127190969.db2.gz XFHYEMBPVIMAQQ-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H](CC2CCC2)c2ccccc2)c1C ZINC000351527697 1127191790 /nfs/dbraw/zinc/19/17/90/1127191790.db2.gz ANHBMQJRULSHES-MRXNPFEDSA-N 0 1 297.402 3.688 20 0 CHADMN CC(C)Cn1ccnc1NCc1ncc(C(C)C)s1 ZINC000351562403 1127193463 /nfs/dbraw/zinc/19/34/63/1127193463.db2.gz AWYDVCKZZNMIRI-UHFFFAOYSA-N 0 1 278.425 3.731 20 0 CHADMN Cc1cc(CNc2nccn2CC(C)C)ccc1F ZINC000351568772 1127193901 /nfs/dbraw/zinc/19/39/01/1127193901.db2.gz ORIZMLJDEMSKFQ-UHFFFAOYSA-N 0 1 261.344 3.599 20 0 CHADMN Cc1cc(F)ccc1CNc1nccn1CC(C)C ZINC000351567433 1127194326 /nfs/dbraw/zinc/19/43/26/1127194326.db2.gz KIJQMHIXCZEKPH-UHFFFAOYSA-N 0 1 261.344 3.599 20 0 CHADMN COCCN(Cc1ccco1)Cc1c(C)oc2ccccc21 ZINC000351579999 1127195273 /nfs/dbraw/zinc/19/52/73/1127195273.db2.gz AAOLAFTVPNYWTG-UHFFFAOYSA-N 0 1 299.370 3.983 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCSc1ccc(Cl)cc1 ZINC000351593427 1127196272 /nfs/dbraw/zinc/19/62/72/1127196272.db2.gz NSMBKBGSDQTJIU-BETUJISGSA-N 0 1 295.835 3.628 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCC(F)(F)[C@@H](C)C2)o1 ZINC000572296716 1127197278 /nfs/dbraw/zinc/19/72/78/1127197278.db2.gz QNEFYUNKTWMKJK-MDZLAQPJSA-N 0 1 269.335 3.880 20 0 CHADMN c1cc(C2CCC2)ccc1CN1CCOCC12CCC2 ZINC000351625283 1127200197 /nfs/dbraw/zinc/20/01/97/1127200197.db2.gz VSRAMYNCBQTOKY-UHFFFAOYSA-N 0 1 271.404 3.709 20 0 CHADMN Cc1nc2cc(NC3CC4(CCC4)C3)ccc2n1C ZINC000572485667 1127201138 /nfs/dbraw/zinc/20/11/38/1127201138.db2.gz AYDOKRRWAQAICL-UHFFFAOYSA-N 0 1 255.365 3.626 20 0 CHADMN C[C@@H]1CCC[C@H](N[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000284816704 1127207272 /nfs/dbraw/zinc/20/72/72/1127207272.db2.gz LJFJTWKSIDOBGX-KBMXLJTQSA-N 0 1 269.392 3.667 20 0 CHADMN CCc1cc(CN2CCC[C@@]3(CCO3)C2)ccc1Cl ZINC001237740079 1131136441 /nfs/dbraw/zinc/13/64/41/1131136441.db2.gz NPDLLPDDOIZDTA-MRXNPFEDSA-N 0 1 279.811 3.657 20 0 CHADMN CCc1cc(CN2CCC[C@@H](OC)C2)ccc1Cl ZINC001237737977 1131135208 /nfs/dbraw/zinc/13/52/08/1131135208.db2.gz FIJYTKOADYMRTO-CQSZACIVSA-N 0 1 267.800 3.513 20 0 CHADMN Cc1ccc(CN[C@H](CCO)c2ccccc2F)c(C)c1 ZINC000646070460 1127209492 /nfs/dbraw/zinc/20/94/92/1127209492.db2.gz WGXWCVBKZNOQAW-GOSISDBHSA-N 0 1 287.378 3.656 20 0 CHADMN Cc1nc2ccc(NC(=O)C=C(C3CC3)C3CC3)cc2[nH]1 ZINC000056309695 1127211277 /nfs/dbraw/zinc/21/12/77/1127211277.db2.gz LWLVJQQSFFMYQT-UHFFFAOYSA-N 0 1 281.359 3.556 20 0 CHADMN Cc1cc([C@H](C)NCC2(Cc3ccc(F)cc3)CC2)no1 ZINC000284920598 1127212208 /nfs/dbraw/zinc/21/22/08/1127212208.db2.gz DCOWLNWKOWYGPL-ZDUSSCGKSA-N 0 1 288.366 3.796 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCO[C@@H](c3ccccc3)C2)no1 ZINC000284980540 1127213918 /nfs/dbraw/zinc/21/39/18/1127213918.db2.gz GCYPEKHEWXGGHT-YSVLISHTSA-N 0 1 286.375 3.554 20 0 CHADMN CCC[C@H](N[C@H](C)c1cc(C)on1)[C@@H](O)c1ccccc1 ZINC000284998130 1127214186 /nfs/dbraw/zinc/21/41/86/1127214186.db2.gz GSKZJLYDHUIQIM-KMFMINBZSA-N 0 1 288.391 3.536 20 0 CHADMN CO[C@@H](C)CN1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000285074240 1127216381 /nfs/dbraw/zinc/21/63/81/1127216381.db2.gz PFMWHHBZCZVCFE-WMLDXEAASA-N 0 1 299.418 3.639 20 0 CHADMN CC(C)[C@H]1CCC[C@H](NC(=O)c2cc(F)cc(F)c2O)C1 ZINC001293133863 1127216779 /nfs/dbraw/zinc/21/67/79/1127216779.db2.gz GLESPWCCXFWLSG-JQWIXIFHSA-N 0 1 297.345 3.615 20 0 CHADMN CC(=O)c1cc(CN2CCCC[C@@H]2CCC(C)C)on1 ZINC000572778024 1127225820 /nfs/dbraw/zinc/22/58/20/1127225820.db2.gz YPVPDEYPTWMRBD-CQSZACIVSA-N 0 1 278.396 3.668 20 0 CHADMN c1cc(CN2CCO[C@@H]3CCC[C@H]32)cc(-c2ccncc2)c1 ZINC000352388641 1127228740 /nfs/dbraw/zinc/22/87/40/1127228740.db2.gz SZDZJCRBMIYVKH-RTBURBONSA-N 0 1 294.398 3.502 20 0 CHADMN Cc1cccc(CN2C[C@@H](c3ccccc3)OC[C@H]2C)c1 ZINC000589605592 1127229928 /nfs/dbraw/zinc/22/99/28/1127229928.db2.gz WIIAYIKEBYBFQR-APWZRJJASA-N 0 1 281.399 3.957 20 0 CHADMN Cc1cc(CNC2c3ccccc3-c3ccccc32)[nH]n1 ZINC000589634993 1127231125 /nfs/dbraw/zinc/23/11/25/1127231125.db2.gz DTEDLHFJXGJLSV-UHFFFAOYSA-N 0 1 275.355 3.578 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1n[nH]c2ccccc12 ZINC000589638220 1127231531 /nfs/dbraw/zinc/23/15/31/1127231531.db2.gz PZAUXLGMTYXMHN-CYBMUJFWSA-N 0 1 295.386 3.731 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1[nH]nc2ccccc21 ZINC000589638220 1127231532 /nfs/dbraw/zinc/23/15/32/1127231532.db2.gz PZAUXLGMTYXMHN-CYBMUJFWSA-N 0 1 295.386 3.731 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNCc2[nH]nc3ccccc32)o1 ZINC000589643301 1127232608 /nfs/dbraw/zinc/23/26/08/1127232608.db2.gz SJONPMMSLQERHI-SMDDNHRTSA-N 0 1 281.359 3.569 20 0 CHADMN CC[C@@H](NCc1nn(C)c2ccccc12)c1ccc(F)cc1 ZINC000589647238 1127233437 /nfs/dbraw/zinc/23/34/37/1127233437.db2.gz OWLSJKSICLIDTE-MRXNPFEDSA-N 0 1 297.377 3.953 20 0 CHADMN CCOc1cccc(CNCc2ccc3sccc3c2)n1 ZINC000352473021 1127235566 /nfs/dbraw/zinc/23/55/66/1127235566.db2.gz NRCRZVAEJIMJPJ-UHFFFAOYSA-N 0 1 298.411 3.985 20 0 CHADMN c1csc([C@H](NCc2cnc3ccccc3n2)C2CC2)c1 ZINC000589832431 1127236386 /nfs/dbraw/zinc/23/63/86/1127236386.db2.gz CKBNIOCKMDVAFZ-QGZVFWFLSA-N 0 1 295.411 3.932 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2cc(C)ccn2)c1 ZINC000285578613 1127237959 /nfs/dbraw/zinc/23/79/59/1127237959.db2.gz IKCHSBQGMKSATK-ZIAGYGMSSA-N 0 1 297.402 3.760 20 0 CHADMN Cc1cc2cc(CN[C@@H](C)c3cncs3)ccc2[nH]1 ZINC000285609534 1127239016 /nfs/dbraw/zinc/23/90/16/1127239016.db2.gz JBZUJLRRFCTINV-NSHDSACASA-N 0 1 271.389 3.784 20 0 CHADMN CCN(C)[C@@H](C(=O)NC1CCCCCC1)c1ccccc1 ZINC000589991060 1127243136 /nfs/dbraw/zinc/24/31/36/1127243136.db2.gz DDUGSLQGAMLXIT-QGZVFWFLSA-N 0 1 288.435 3.518 20 0 CHADMN C[C@@H](CN(C)Cc1cccc(O)c1Cl)c1nccs1 ZINC000352874400 1127247830 /nfs/dbraw/zinc/24/78/30/1127247830.db2.gz HSLUFQZAJWWZAV-JTQLQIEISA-N 0 1 296.823 3.738 20 0 CHADMN COc1cccc(C2=CCN(Cc3ccco3)CC2)c1 ZINC000352947614 1127253010 /nfs/dbraw/zinc/25/30/10/1127253010.db2.gz PLSHFBLQYRQSOR-UHFFFAOYSA-N 0 1 269.344 3.578 20 0 CHADMN CSc1cccc(F)c1CNC/C=C\c1ccncc1 ZINC000352951490 1127253838 /nfs/dbraw/zinc/25/38/38/1127253838.db2.gz OLKDYNQFCIUHSM-ARJAWSKDSA-N 0 1 288.391 3.746 20 0 CHADMN COC(=O)CCC[C@@H]1CCC[C@H](NC(C)(C)C(F)F)C1 ZINC000590366782 1127257339 /nfs/dbraw/zinc/25/73/39/1127257339.db2.gz OTMCQUCKCMYFQV-RYUDHWBXSA-N 0 1 291.382 3.522 20 0 CHADMN CCCc1cccc(CN[C@H](c2nccn2C)C2CC2)c1 ZINC000353039918 1127258683 /nfs/dbraw/zinc/25/86/83/1127258683.db2.gz RYJZDTJGUFDYNO-KRWDZBQOSA-N 0 1 283.419 3.614 20 0 CHADMN CCCc1csc(CNCC2(C(F)(F)F)CC2)n1 ZINC000353052390 1127259455 /nfs/dbraw/zinc/25/94/55/1127259455.db2.gz JRSKEPGJDUKYFI-UHFFFAOYSA-N 0 1 278.343 3.528 20 0 CHADMN Cc1ccnc([C@H](C)N[C@@H]2CCc3c2cccc3F)c1 ZINC000286124052 1127259521 /nfs/dbraw/zinc/25/95/21/1127259521.db2.gz OFSDYSLRIMOLEU-BLLLJJGKSA-N 0 1 270.351 3.867 20 0 CHADMN CC(C)COc1cccc(CNCc2ccco2)c1 ZINC000032111154 1127262296 /nfs/dbraw/zinc/26/22/96/1127262296.db2.gz LJXAZZUWJPDNDG-UHFFFAOYSA-N 0 1 259.349 3.604 20 0 CHADMN Oc1ccc2c(c1)OCCN(CCCC1CCCC1)C2 ZINC000353174302 1127263061 /nfs/dbraw/zinc/26/30/61/1127263061.db2.gz WLBIOSBOPLFCJA-UHFFFAOYSA-N 0 1 275.392 3.557 20 0 CHADMN CCc1ccc([C@@H]2CCCN([C@@H](C)c3nnc(C)o3)C2)cc1 ZINC000286462965 1127267837 /nfs/dbraw/zinc/26/78/37/1127267837.db2.gz NEIVYCBWTSNJJI-SUMWQHHRSA-N 0 1 299.418 3.881 20 0 CHADMN COc1cc(CN[C@@H](CCC(C)C)c2ccoc2)ccn1 ZINC000353397978 1127268224 /nfs/dbraw/zinc/26/82/24/1127268224.db2.gz YTNSWVSRVIMQJN-INIZCTEOSA-N 0 1 288.391 3.950 20 0 CHADMN CC(C)[C@H](NCc1ccsc1)c1ccc(F)cn1 ZINC000353550516 1127269155 /nfs/dbraw/zinc/26/91/55/1127269155.db2.gz HNQODTSMPIWMSL-AWEZNQCLSA-N 0 1 264.369 3.769 20 0 CHADMN CC[C@H](C)CCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000286681475 1127272272 /nfs/dbraw/zinc/27/22/72/1127272272.db2.gz HWFVOQVAQIFRDC-QMMMGPOBSA-N 0 1 273.735 3.950 20 0 CHADMN CC(C)(C)c1nc(CN2CCC[C@@H]2C2CC2)cs1 ZINC000590788388 1127272720 /nfs/dbraw/zinc/27/27/20/1127272720.db2.gz YVYHCFWEHNIYKX-CYBMUJFWSA-N 0 1 264.438 3.815 20 0 CHADMN CCN(C)[C@@H](C(=O)N[C@H](C)CCC(C)C)c1ccccc1 ZINC000590806838 1127274129 /nfs/dbraw/zinc/27/41/29/1127274129.db2.gz JXDRVEDFACUVDW-NVXWUHKLSA-N 0 1 290.451 3.620 20 0 CHADMN CCN(C)[C@H](C(=O)N[C@@H](C)CCC(C)C)c1ccccc1 ZINC000590806839 1127274191 /nfs/dbraw/zinc/27/41/91/1127274191.db2.gz JXDRVEDFACUVDW-RDJZCZTQSA-N 0 1 290.451 3.620 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(Cl)c([O-])cc2F)C1 ZINC001238150653 1131175162 /nfs/dbraw/zinc/17/51/62/1131175162.db2.gz WJETZBDSARLRNK-AOOOYVTPSA-N 0 1 271.763 3.663 20 0 CHADMN Cc1ccc(CN(C)CCSC2CCCCC2)nc1 ZINC000590754896 1127270810 /nfs/dbraw/zinc/27/08/10/1127270810.db2.gz YSSSXOYWCWWOAL-UHFFFAOYSA-N 0 1 278.465 3.888 20 0 CHADMN COc1cc([C@H](C)N[C@H](C)c2ccccc2C)c(F)cn1 ZINC000286871925 1127275259 /nfs/dbraw/zinc/27/52/59/1127275259.db2.gz HOBISCREXQOYRQ-OLZOCXBDSA-N 0 1 288.366 3.950 20 0 CHADMN Cc1cc(C)n2c(CN3CCC[C@@H]4CCCC[C@H]43)cnc2n1 ZINC000353898446 1127276381 /nfs/dbraw/zinc/27/63/81/1127276381.db2.gz KEERYZGUOSAPBV-DOTOQJQBSA-N 0 1 298.434 3.501 20 0 CHADMN CC(C)Sc1ccc([C@@H](C)NCc2cn[nH]c2)cc1 ZINC000590881689 1127277165 /nfs/dbraw/zinc/27/71/65/1127277165.db2.gz BSQONPBIUHVKQV-GFCCVEGCSA-N 0 1 275.421 3.761 20 0 CHADMN CCC1(CC)[C@H](N[C@@H](C)c2c(F)cncc2F)C[C@H]1OC ZINC000353927908 1127279488 /nfs/dbraw/zinc/27/94/88/1127279488.db2.gz WYNUFOYHEVLTFO-ZLKJLUDKSA-N 0 1 298.377 3.604 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1cccc(F)c1F ZINC000353949190 1127281756 /nfs/dbraw/zinc/28/17/56/1127281756.db2.gz AGJDCVZQOZPRJF-NSHDSACASA-N 0 1 273.392 3.928 20 0 CHADMN Cn1cccc1CN1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000353974459 1127283275 /nfs/dbraw/zinc/28/32/75/1127283275.db2.gz SBMGBQPAXNQZLW-KRWDZBQOSA-N 0 1 266.388 3.752 20 0 CHADMN CC(C)c1cc(CN2CCC[C@H](CO)C2)ccc1Cl ZINC001238221160 1131183617 /nfs/dbraw/zinc/18/36/17/1131183617.db2.gz YMYWYWBPINPNPZ-AWEZNQCLSA-N 0 1 281.827 3.668 20 0 CHADMN Cc1noc(C)c1C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000354010920 1127284662 /nfs/dbraw/zinc/28/46/62/1127284662.db2.gz PUPRIGLVYGYYAB-AWEZNQCLSA-N 0 1 290.794 3.934 20 0 CHADMN CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000287051343 1127284913 /nfs/dbraw/zinc/28/49/13/1127284913.db2.gz UDMZQEKTBQRKHK-HTQZYQBOSA-N 0 1 273.735 3.805 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H]2CSC[C@H]2C)cs1 ZINC000354018288 1127285946 /nfs/dbraw/zinc/28/59/46/1127285946.db2.gz PEIYXRCTVXELGH-VWYCJHECSA-N 0 1 270.467 3.669 20 0 CHADMN CCc1ncc(CN2C[C@H](C)[C@H]2c2ccccc2)s1 ZINC000354043585 1127288446 /nfs/dbraw/zinc/28/84/46/1127288446.db2.gz ADYKMJNHPKEQPO-LRDDRELGSA-N 0 1 272.417 3.899 20 0 CHADMN Fc1ccc([C@H]2CCCCN2Cc2cccnc2)cc1 ZINC000354080827 1127290570 /nfs/dbraw/zinc/29/05/70/1127290570.db2.gz DBIIZDFKBVHUKE-QGZVFWFLSA-N 0 1 270.351 3.948 20 0 CHADMN CSCc1cnc(CN2CC[C@H](C3CCC3)C2)s1 ZINC000591267866 1127294303 /nfs/dbraw/zinc/29/43/03/1127294303.db2.gz PAQNXWAOPRERQY-LBPRGKRZSA-N 0 1 282.478 3.628 20 0 CHADMN CC[C@@H](Cc1ccccc1)NCc1nccc(C(F)F)n1 ZINC000287178891 1127295203 /nfs/dbraw/zinc/29/52/03/1127295203.db2.gz VCRUHFNWCZLATO-ZDUSSCGKSA-N 0 1 291.345 3.525 20 0 CHADMN CSCCN[C@H](C)c1csc(-c2ccccc2)n1 ZINC000591239139 1127291658 /nfs/dbraw/zinc/29/16/58/1127291658.db2.gz GZOUDKORYZWNQE-LLVKDONJSA-N 0 1 278.446 3.824 20 0 CHADMN CCCc1nc(CN(C(C)C)C2CCC2)cs1 ZINC000354222901 1127298713 /nfs/dbraw/zinc/29/87/13/1127298713.db2.gz JXJVHBKZCDSXPG-UHFFFAOYSA-N 0 1 252.427 3.859 20 0 CHADMN C[C@H](N[C@@H]1CSC[C@H]1C)c1nc(C(F)(F)F)cs1 ZINC000287375563 1127302713 /nfs/dbraw/zinc/30/27/13/1127302713.db2.gz HYKLRAKPAJYLRQ-GJMOJQLCSA-N 0 1 296.383 3.564 20 0 CHADMN CCc1cccc(N[C@@H](c2c[nH]nn2)c2ccc(F)cc2)c1 ZINC000573271305 1127305025 /nfs/dbraw/zinc/30/50/25/1127305025.db2.gz FFLJTZOBOWRHBS-QGZVFWFLSA-N 0 1 296.349 3.708 20 0 CHADMN C[C@H](c1cnccn1)N1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646117885 1127301820 /nfs/dbraw/zinc/30/18/20/1127301820.db2.gz BFYHVTVACKKDEG-QAPCUYQASA-N 0 1 291.398 3.931 20 0 CHADMN CCOc1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c(Cl)c1 ZINC001238403554 1131196357 /nfs/dbraw/zinc/19/63/57/1131196357.db2.gz QOBKHYBPLJMWEW-HUBLWGQQSA-N 0 1 283.774 3.671 20 0 CHADMN C[C@@H]1C[C@H](NCc2nn(C)c3ccccc23)c2ccccc21 ZINC000591720286 1127312859 /nfs/dbraw/zinc/31/28/59/1127312859.db2.gz ULPAONXLXCAFRC-DYVFJYSZSA-N 0 1 291.398 3.911 20 0 CHADMN COc1ccncc1CN[C@H](C)c1ccc(C)cc1C ZINC000287899890 1127314255 /nfs/dbraw/zinc/31/42/55/1127314255.db2.gz URONJYXHXFZJIA-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN O=c1[nH]c(-c2ccc(O)c(Cl)c2)nc2cccc(F)c12 ZINC000591726294 1127314908 /nfs/dbraw/zinc/31/49/08/1127314908.db2.gz HRPHYIOKARLSAQ-UHFFFAOYSA-N 0 1 290.681 3.501 20 0 CHADMN CC[C@@H](CSC)N(C)c1ccnc(C)c1Cl ZINC000355115008 1127317147 /nfs/dbraw/zinc/31/71/47/1127317147.db2.gz WNDUPYSIWDGATH-JTQLQIEISA-N 0 1 258.818 3.621 20 0 CHADMN CC(C)CC[C@H]1CCCCN1Cc1nccs1 ZINC000355157091 1127321321 /nfs/dbraw/zinc/32/13/21/1127321321.db2.gz AZHIPPLZVIJMRU-CYBMUJFWSA-N 0 1 252.427 3.934 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1coc2cc(F)ccc12 ZINC000355262147 1127328908 /nfs/dbraw/zinc/32/89/08/1127328908.db2.gz QLSCJLAZZYDWAI-UHFFFAOYSA-N 0 1 295.273 3.701 20 0 CHADMN Cc1nc([C@H]2CCCN2C[C@@H](O)CC2CCCC2)cs1 ZINC000355260137 1127329186 /nfs/dbraw/zinc/32/91/86/1127329186.db2.gz AIOIMACGHYLHFX-GOEBONIOSA-N 0 1 294.464 3.530 20 0 CHADMN C[C@H]1CCCC[C@]1(C)NCc1noc(-c2ccsc2)n1 ZINC000573806680 1127329660 /nfs/dbraw/zinc/32/96/60/1127329660.db2.gz FJLXTDROXFTOEK-NHYWBVRUSA-N 0 1 291.420 3.857 20 0 CHADMN CC(C)CC1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000760924322 1127333307 /nfs/dbraw/zinc/33/33/07/1127333307.db2.gz NUMHEKAORISIGJ-UHFFFAOYSA-N 0 1 266.816 3.993 20 0 CHADMN CCc1noc([C@H](C)N2CCC[C@H](Cc3ccccc3)C2)n1 ZINC000592323128 1127341662 /nfs/dbraw/zinc/34/16/62/1127341662.db2.gz JTOAERKROGFSFP-GOEBONIOSA-N 0 1 299.418 3.648 20 0 CHADMN Cc1csc(CN2CCC(CC(C)C)CC2)n1 ZINC000760968880 1127347323 /nfs/dbraw/zinc/34/73/23/1127347323.db2.gz XEGKMTRFWAVDNJ-UHFFFAOYSA-N 0 1 252.427 3.710 20 0 CHADMN COC[C@@H](NCc1cccs1)c1cccc(Cl)c1 ZINC000288555338 1127347325 /nfs/dbraw/zinc/34/73/25/1127347325.db2.gz LTVFITWVRJCKGM-CQSZACIVSA-N 0 1 281.808 3.879 20 0 CHADMN CC=Cc1ccc(NC(=O)c2cn[nH]c2C(C)(C)C)cc1 ZINC000573988453 1127347576 /nfs/dbraw/zinc/34/75/76/1127347576.db2.gz GCXOPXFNSSTJPH-WAYWQWQTSA-N 0 1 283.375 3.993 20 0 CHADMN Cc1ccncc1CN(C)Cc1cccc2cccnc21 ZINC000355597682 1127352136 /nfs/dbraw/zinc/35/21/36/1127352136.db2.gz KQTPHTFWLYZAKF-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN CC1=CC[C@H](NCc2c(F)c(F)cc(F)c2F)CC1 ZINC000646145232 1127352248 /nfs/dbraw/zinc/35/22/48/1127352248.db2.gz QKWNOONXDDVCEF-VIFPVBQESA-N 0 1 273.273 3.831 20 0 CHADMN CC[N@@H+](CCSC)Cc1c(F)cccc1N1CCCC1 ZINC000592530514 1127353405 /nfs/dbraw/zinc/35/34/05/1127353405.db2.gz YZBZFXCBKJCAEU-UHFFFAOYSA-N 0 1 296.455 3.611 20 0 CHADMN CCN(CCSC)Cc1c(F)cccc1N1CCCC1 ZINC000592530514 1127353409 /nfs/dbraw/zinc/35/34/09/1127353409.db2.gz YZBZFXCBKJCAEU-UHFFFAOYSA-N 0 1 296.455 3.611 20 0 CHADMN COC[C@@H](NCc1cncc(C)c1)c1cccc(Cl)c1 ZINC000288662038 1127355565 /nfs/dbraw/zinc/35/55/65/1127355565.db2.gz BTUIQCGJBMXEJH-MRXNPFEDSA-N 0 1 290.794 3.521 20 0 CHADMN COCc1cnc(CN2CCC[C@@H](C(C)(C)C)C2)s1 ZINC000355655250 1127356570 /nfs/dbraw/zinc/35/65/70/1127356570.db2.gz HRTOIYYZPCIAGM-GFCCVEGCSA-N 0 1 282.453 3.548 20 0 CHADMN Cc1nccc(N2CC[C@H](CC(F)(F)F)C2)c1Cl ZINC000355657444 1127356607 /nfs/dbraw/zinc/35/66/07/1127356607.db2.gz AJHZDFWUELEREN-SECBINFHSA-N 0 1 278.705 3.822 20 0 CHADMN Cc1nccc(N(C)C[C@@H](C)c2nccs2)c1Cl ZINC000355666253 1127356958 /nfs/dbraw/zinc/35/69/58/1127356958.db2.gz ILGOUIIZNYZSKQ-SECBINFHSA-N 0 1 281.812 3.740 20 0 CHADMN COCC[C@H](NCc1ccc(F)c(Cl)c1)c1ccco1 ZINC000355720181 1127360319 /nfs/dbraw/zinc/36/03/19/1127360319.db2.gz CQRUBJJQWFYWLQ-AWEZNQCLSA-N 0 1 297.757 3.940 20 0 CHADMN C[C@H](c1ccccn1)N(C)CCOc1cccc(Cl)c1 ZINC000355730718 1127361780 /nfs/dbraw/zinc/36/17/80/1127361780.db2.gz PIGXTZDGTVVHNO-CYBMUJFWSA-N 0 1 290.794 3.807 20 0 CHADMN CCC[N@@H+](C)CC(=O)Nc1ccc(CCC(C)C)cc1 ZINC000592861976 1127362290 /nfs/dbraw/zinc/36/22/90/1127362290.db2.gz NLSRLUNLRXRNIZ-UHFFFAOYSA-N 0 1 276.424 3.556 20 0 CHADMN CCCN(C)CC(=O)Nc1ccc(CCC(C)C)cc1 ZINC000592861976 1127362295 /nfs/dbraw/zinc/36/22/95/1127362295.db2.gz NLSRLUNLRXRNIZ-UHFFFAOYSA-N 0 1 276.424 3.556 20 0 CHADMN C[C@H](O)c1ncc(CN2CCC[C@H]2c2ccccc2)s1 ZINC000289017452 1127370372 /nfs/dbraw/zinc/37/03/72/1127370372.db2.gz FZECTDBIUVKDLE-WFASDCNBSA-N 0 1 288.416 3.534 20 0 CHADMN Cc1cnn(C)c1CN(C)[C@H](C)c1ccc(C)cc1C ZINC000289120975 1127374449 /nfs/dbraw/zinc/37/44/49/1127374449.db2.gz NQIARPVHPWHGEJ-OAHLLOKOSA-N 0 1 271.408 3.538 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)on1 ZINC000289284846 1127379954 /nfs/dbraw/zinc/37/99/54/1127379954.db2.gz GNODBBFBGKLXAQ-MRXNPFEDSA-N 0 1 296.374 3.505 20 0 CHADMN COc1ccc2c(c1F)CC[C@@H]2N[C@@H](C)c1ccccn1 ZINC000289299065 1127379976 /nfs/dbraw/zinc/37/99/76/1127379976.db2.gz RWURFLBECFRHJB-NHYWBVRUSA-N 0 1 286.350 3.567 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1nc(CCc2ccccc2)no1 ZINC000357529338 1127391765 /nfs/dbraw/zinc/39/17/65/1127391765.db2.gz NPDIZRKIJBPRSO-GOEBONIOSA-N 0 1 299.418 3.618 20 0 CHADMN N#CC(C(=O)C=Cc1ccco1)c1nc2ccccc2s1 ZINC000046439539 1127400974 /nfs/dbraw/zinc/40/09/74/1127400974.db2.gz UXFATUKOHPILOM-KRZKBDHCSA-N 0 1 294.335 3.779 20 0 CHADMN Cc1n[nH]cc1CN[C@@H]1CCCOc2c(C(C)C)cccc21 ZINC000358157779 1127405163 /nfs/dbraw/zinc/40/51/63/1127405163.db2.gz OYUHPRKSRCFHCV-QGZVFWFLSA-N 0 1 299.418 3.845 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1csc(C)n1)c1ccc(F)cc1 ZINC000358187580 1127407063 /nfs/dbraw/zinc/40/70/63/1127407063.db2.gz KDYNACLKLAIURS-BONVTDFDSA-N 0 1 294.395 3.629 20 0 CHADMN C[N@@H+](Cn1cccnc1=S)[C@H]1CCCc2ccccc21 ZINC000046476717 1127408200 /nfs/dbraw/zinc/40/82/00/1127408200.db2.gz VVLDSOWYAMVRNQ-HNNXBMFYSA-N 0 1 285.416 3.579 20 0 CHADMN CN(Cn1cccnc1=S)[C@H]1CCCc2ccccc21 ZINC000046476717 1127408202 /nfs/dbraw/zinc/40/82/02/1127408202.db2.gz VVLDSOWYAMVRNQ-HNNXBMFYSA-N 0 1 285.416 3.579 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)s1 ZINC000358238991 1127410126 /nfs/dbraw/zinc/41/01/26/1127410126.db2.gz GOFYNTVHFGXOLY-MNOVXSKESA-N 0 1 292.452 3.964 20 0 CHADMN C[C@@H](c1cccc(F)c1)N1CC[C@@H](C(F)(F)F)C1 ZINC000761048402 1127410696 /nfs/dbraw/zinc/41/06/96/1127410696.db2.gz YGDAQFFAHREIKX-GXSJLCMTSA-N 0 1 261.262 3.771 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2c[nH]nc21)c1cccc(OC)c1 ZINC000358290172 1127413731 /nfs/dbraw/zinc/41/37/31/1127413731.db2.gz DKVQJURMDMQSRP-CVEARBPZSA-N 0 1 285.391 3.537 20 0 CHADMN CC[C@H](N[C@@H](C)c1cn[nH]c1)c1cc(Cl)ccc1OC ZINC000358372591 1127418576 /nfs/dbraw/zinc/41/85/76/1127418576.db2.gz WOEADDVSJLBXKD-HZMBPMFUSA-N 0 1 293.798 3.874 20 0 CHADMN Cc1ccsc1[C@@H](CO)N[C@@H](C)c1sc(C)nc1C ZINC000358407226 1127420004 /nfs/dbraw/zinc/42/00/04/1127420004.db2.gz TTYYEUXMERYRSX-CMPLNLGQSA-N 0 1 296.461 3.514 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1ccccc1OC ZINC000358506313 1127424796 /nfs/dbraw/zinc/42/47/96/1127424796.db2.gz LUPUIGKGHSWMPA-ZDUSSCGKSA-N 0 1 270.376 3.503 20 0 CHADMN c1ccc2c(c1)SCC[C@H]2N[C@@H]1CCc2cccnc21 ZINC000226811722 1127426138 /nfs/dbraw/zinc/42/61/38/1127426138.db2.gz JHJZTUFGPSPODJ-HUUCEWRRSA-N 0 1 282.412 3.896 20 0 CHADMN Fc1ccc(CN[C@H]2CCc3cccnc32)cc1Cl ZINC000226819141 1127427227 /nfs/dbraw/zinc/42/72/27/1127427227.db2.gz BOINYYJNBBGKHN-AWEZNQCLSA-N 0 1 276.742 3.651 20 0 CHADMN FC(F)(F)c1ccccc1CN[C@H]1CCc2cccnc21 ZINC000226819531 1127427301 /nfs/dbraw/zinc/42/73/01/1127427301.db2.gz SYLCMMDDPZSKEM-AWEZNQCLSA-N 0 1 292.304 3.878 20 0 CHADMN COCC1(C)CCN(Cc2ccc(OC)cc2Cl)CC1 ZINC000358742679 1127433526 /nfs/dbraw/zinc/43/35/26/1127433526.db2.gz ZAQZDQBWNCKUAT-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN Cc1ncccc1CN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000594784486 1127430304 /nfs/dbraw/zinc/43/03/04/1127430304.db2.gz NDYXZUMIFHXIOK-JTQLQIEISA-N 0 1 280.293 3.658 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CCC2(CCC2)C1 ZINC000358908940 1127438340 /nfs/dbraw/zinc/43/83/40/1127438340.db2.gz USGXGUCJSQPIJW-UHFFFAOYSA-N 0 1 286.350 3.763 20 0 CHADMN COc1cc2c(cc1F)nccc2NCc1ccc(C)nc1 ZINC000358925886 1127439177 /nfs/dbraw/zinc/43/91/77/1127439177.db2.gz FTYYKDHCRHLOKR-UHFFFAOYSA-N 0 1 297.333 3.698 20 0 CHADMN Cc1ccccc1C[C@H]1CCCN1Cc1nnc(C(C)C)o1 ZINC000358966433 1127441749 /nfs/dbraw/zinc/44/17/49/1127441749.db2.gz MQYIYWPLCHWNOV-MRXNPFEDSA-N 0 1 299.418 3.709 20 0 CHADMN c1ccc([C@@H]2C[C@@H]2CSc2nc(C3CC3)n[nH]2)cc1 ZINC000359163893 1127452353 /nfs/dbraw/zinc/45/23/53/1127452353.db2.gz XJHJWYHJZBMTKO-OLZOCXBDSA-N 0 1 271.389 3.578 20 0 CHADMN c1ccc([C@@H]2C[C@@H]2CSc2n[nH]c(C3CC3)n2)cc1 ZINC000359163893 1127452354 /nfs/dbraw/zinc/45/23/54/1127452354.db2.gz XJHJWYHJZBMTKO-OLZOCXBDSA-N 0 1 271.389 3.578 20 0 CHADMN CC(C)[C@@H](NCc1ccoc1)c1ccc2[nH]c(=O)oc2c1 ZINC000359287774 1127456827 /nfs/dbraw/zinc/45/68/27/1127456827.db2.gz LHGZNHGSVMVPPT-OAHLLOKOSA-N 0 1 286.331 3.613 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1cccn1C)[C@@H]2C ZINC000359302779 1127457481 /nfs/dbraw/zinc/45/74/81/1127457481.db2.gz UGKCNAMZDPFARD-UONOGXRCSA-N 0 1 284.403 3.542 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000359334176 1127459269 /nfs/dbraw/zinc/45/92/69/1127459269.db2.gz RORGZWJHAKAGMO-NWDGAFQWSA-N 0 1 273.355 3.590 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1nsc2ccccc12 ZINC000595373704 1127461419 /nfs/dbraw/zinc/46/14/19/1127461419.db2.gz PDUDZMDYDINEFL-LLVKDONJSA-N 0 1 280.462 3.870 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC(C)(C3CC3)CC2)c1 ZINC000359469415 1127464372 /nfs/dbraw/zinc/46/43/72/1127464372.db2.gz RVFRDJSREPWZJI-UHFFFAOYSA-N 0 1 297.402 3.524 20 0 CHADMN COc1ccc(F)cc1CNc1nccn1-c1ccccc1 ZINC000359467804 1127464466 /nfs/dbraw/zinc/46/44/66/1127464466.db2.gz MQBBEQYDXDSMBL-UHFFFAOYSA-N 0 1 297.333 3.632 20 0 CHADMN C[C@@H](c1ccccn1)N(C)c1ccnc2ccccc21 ZINC000359506012 1127465851 /nfs/dbraw/zinc/46/58/51/1127465851.db2.gz IENKDAIGBFFVNV-ZDUSSCGKSA-N 0 1 263.344 3.827 20 0 CHADMN Cc1coc2ccc(NC(=O)[C@@H]3CCCc4[nH]ncc43)cc12 ZINC000359535519 1127466338 /nfs/dbraw/zinc/46/63/38/1127466338.db2.gz UUENLPOMIFVJAD-GFCCVEGCSA-N 0 1 295.342 3.523 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1cccc(C)n1)[C@@H]2C ZINC000359544208 1127467083 /nfs/dbraw/zinc/46/70/83/1127467083.db2.gz VTLGQQCAFZYZRH-LSDHHAIUSA-N 0 1 296.414 3.906 20 0 CHADMN Oc1ccc2c(c1)C[N@H+](Cc1ccc(C(F)F)cc1)CC2 ZINC000359571283 1127468807 /nfs/dbraw/zinc/46/88/07/1127468807.db2.gz KRHXGHJDYJVWDC-UHFFFAOYSA-N 0 1 289.325 3.888 20 0 CHADMN Oc1ccc2c(c1)CN(Cc1ccc(C(F)F)cc1)CC2 ZINC000359571283 1127468810 /nfs/dbraw/zinc/46/88/10/1127468810.db2.gz KRHXGHJDYJVWDC-UHFFFAOYSA-N 0 1 289.325 3.888 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H](C)c1cnc(C)nc1C ZINC000359604452 1127469480 /nfs/dbraw/zinc/46/94/80/1127469480.db2.gz WLBLHLVZVQIKFX-RYUDHWBXSA-N 0 1 285.391 3.514 20 0 CHADMN C[C@H](CCc1ccco1)NCc1occc1Br ZINC000227364170 1127473250 /nfs/dbraw/zinc/47/32/50/1127473250.db2.gz BMUUZOFGKOTNFE-SNVBAGLBSA-N 0 1 298.180 3.746 20 0 CHADMN CC1(C)CC[C@H](CN(Cc2ccccc2F)C2CC2)O1 ZINC000359849249 1127480451 /nfs/dbraw/zinc/48/04/51/1127480451.db2.gz IWORMCZCDMCPIF-OAHLLOKOSA-N 0 1 277.383 3.748 20 0 CHADMN CC1(C)CC[C@@H](CN(Cc2ccccc2F)C2CC2)O1 ZINC000359849246 1127480472 /nfs/dbraw/zinc/48/04/72/1127480472.db2.gz IWORMCZCDMCPIF-HNNXBMFYSA-N 0 1 277.383 3.748 20 0 CHADMN Cc1nc2ccc(NC(=O)C(C)(C)c3cccs3)cc2[nH]1 ZINC000359870010 1127481520 /nfs/dbraw/zinc/48/15/20/1127481520.db2.gz GRGMUWPYCCFWCY-UHFFFAOYSA-N 0 1 299.399 3.849 20 0 CHADMN Cc1ccc(CNC2(c3ccc(F)cc3)CC2)c(C)n1 ZINC000360022327 1127486777 /nfs/dbraw/zinc/48/67/77/1127486777.db2.gz HHIUBGFUIFMIKW-UHFFFAOYSA-N 0 1 270.351 3.616 20 0 CHADMN CC(C)Cc1noc(CN[C@H]2CCC(C)(C)C[C@@H]2C)n1 ZINC000360281308 1127494706 /nfs/dbraw/zinc/49/47/06/1127494706.db2.gz ADHWVQPEGXYPQL-STQMWFEESA-N 0 1 279.428 3.573 20 0 CHADMN Cc1ccc(C(=O)Nc2cc3cn[nH]c3cc2C)cc1F ZINC000360452742 1127499485 /nfs/dbraw/zinc/49/94/85/1127499485.db2.gz XACOEDVOJZWGOJ-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCCC[C@H](C)C1 ZINC000360604612 1127502535 /nfs/dbraw/zinc/50/25/35/1127502535.db2.gz LGYJNXULAMYCJJ-NWDGAFQWSA-N 0 1 291.420 3.981 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)N1CCCC[C@H](C)C1 ZINC000360604612 1127502536 /nfs/dbraw/zinc/50/25/36/1127502536.db2.gz LGYJNXULAMYCJJ-NWDGAFQWSA-N 0 1 291.420 3.981 20 0 CHADMN Fc1ccc([C@@H](C[C@H]2CCOC2)NCc2ccco2)cc1 ZINC000293579476 1127506644 /nfs/dbraw/zinc/50/66/44/1127506644.db2.gz YKLALMSQGPVOMY-CXAGYDPISA-N 0 1 289.350 3.676 20 0 CHADMN Cc1noc(C)c1CCN1CCc2c(Cl)cccc2C1 ZINC000166001781 1129219707 /nfs/dbraw/zinc/21/97/07/1129219707.db2.gz DMIMFUCWOUTCAD-UHFFFAOYSA-N 0 1 290.794 3.546 20 0 CHADMN CC(C)C[C@@H]1OCCC[C@H]1NCc1nc(C2CC2)cs1 ZINC000360724607 1127508257 /nfs/dbraw/zinc/50/82/57/1127508257.db2.gz DALFRNXIHXVREU-HIFRSBDPSA-N 0 1 294.464 3.704 20 0 CHADMN Fc1ccccc1CN1Cc2ccccc2C2(CC2)C1 ZINC000360725020 1127508523 /nfs/dbraw/zinc/50/85/23/1127508523.db2.gz HNRXBVBGKNOFFH-UHFFFAOYSA-N 0 1 267.347 3.873 20 0 CHADMN Cc1ccc(Cl)c(NC(=O)c2cn[nH]c2C(C)(C)C)c1 ZINC000293717044 1127515150 /nfs/dbraw/zinc/51/51/50/1127515150.db2.gz NFXTTYWEWQLEOG-UHFFFAOYSA-N 0 1 291.782 3.921 20 0 CHADMN Cc1ccoc1CN[C@@H]1CCCNc2ccccc21 ZINC000293749533 1127517561 /nfs/dbraw/zinc/51/75/61/1127517561.db2.gz RFDYTFLEFMESDU-OAHLLOKOSA-N 0 1 256.349 3.625 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CC3(CCC3)[C@@H]2C(C)C)[nH]1 ZINC000293759747 1127518278 /nfs/dbraw/zinc/51/82/78/1127518278.db2.gz MVIFOHZZYMMMQN-INIZCTEOSA-N 0 1 297.402 3.522 20 0 CHADMN C[C@@H](CSCCF)N[C@H](CF)c1ccc(F)cc1 ZINC000601319059 1127521211 /nfs/dbraw/zinc/52/12/11/1127521211.db2.gz VSIVDYJOXXLJBV-GXFFZTMASA-N 0 1 277.355 3.517 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000360959652 1127523646 /nfs/dbraw/zinc/52/36/46/1127523646.db2.gz VEXDOTPVQNXTQY-GGXPGOJBSA-N 0 1 285.497 3.600 20 0 CHADMN Cc1ccc(CN2CC(c3ccccc3F)C2)s1 ZINC000361018111 1127529529 /nfs/dbraw/zinc/52/95/29/1127529529.db2.gz QMFGSPBZJIDVKC-UHFFFAOYSA-N 0 1 261.365 3.795 20 0 CHADMN CC(C)Oc1ncccc1CN1CCC2(CCC2)CC1 ZINC001231757259 1127526661 /nfs/dbraw/zinc/52/66/61/1127526661.db2.gz NHSQBFGQIGEICA-UHFFFAOYSA-N 0 1 274.408 3.635 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2C[C@@H](OC(C)C)C2(C)C)cs1 ZINC000360993389 1127526791 /nfs/dbraw/zinc/52/67/91/1127526791.db2.gz AVEJFLXBGFKVQG-ZLKJLUDKSA-N 0 1 282.453 3.694 20 0 CHADMN CO[C@](C)(CN[C@H](C)c1csc(C(C)C)n1)C1CC1 ZINC000361000299 1127528497 /nfs/dbraw/zinc/52/84/97/1127528497.db2.gz YQKPEKQPICHCGM-IAQYHMDHSA-N 0 1 282.453 3.732 20 0 CHADMN CCO[C@@H]1C[C@H](Nc2nccc(C)c2C2CC2)[C@@H]1SC ZINC000597190585 1127531877 /nfs/dbraw/zinc/53/18/77/1127531877.db2.gz FATVKDILSOANFI-GUTXKFCHSA-N 0 1 292.448 3.588 20 0 CHADMN Cc1nn(C)c(C)c1CN1CC2(CCC2)[C@H]1c1ccccc1 ZINC000293914532 1127533501 /nfs/dbraw/zinc/53/35/01/1127533501.db2.gz MAXXORUDUHQFPN-GOSISDBHSA-N 0 1 295.430 3.764 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cc(F)ccc1OC ZINC000361132128 1127540795 /nfs/dbraw/zinc/54/07/95/1127540795.db2.gz NSSHWWLLYRPYCR-GFCCVEGCSA-N 0 1 288.366 3.643 20 0 CHADMN COCc1ccc(CN2CCC[C@H](C(F)(F)F)[C@H]2C)o1 ZINC000361154371 1127542735 /nfs/dbraw/zinc/54/27/35/1127542735.db2.gz PDUSQTLIEJZUAT-MFKMUULPSA-N 0 1 291.313 3.589 20 0 CHADMN COc1ccsc1CN1Cc2ccccc2C2(CC2)C1 ZINC000361144244 1127541434 /nfs/dbraw/zinc/54/14/34/1127541434.db2.gz YYFLYQXNAMHZOK-UHFFFAOYSA-N 0 1 285.412 3.804 20 0 CHADMN CCn1nc(C)c(CN2Cc3ccccc3C3(CC3)C2)c1C ZINC000361143456 1127541892 /nfs/dbraw/zinc/54/18/92/1127541892.db2.gz WQICDGWBRJXWAW-UHFFFAOYSA-N 0 1 295.430 3.567 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1cccc(O)c1 ZINC000361144650 1127542366 /nfs/dbraw/zinc/54/23/66/1127542366.db2.gz ZCDIAIYTITXBMT-GWCFXTLKSA-N 0 1 273.298 3.555 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1ccc(-n3cccn3)cc1)C2 ZINC000361107851 1127538424 /nfs/dbraw/zinc/53/84/24/1127538424.db2.gz ISESMRJULNRANR-UHFFFAOYSA-N 0 1 289.382 3.697 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)CC[C@@H](C)CC)c1 ZINC000361172297 1127543697 /nfs/dbraw/zinc/54/36/97/1127543697.db2.gz QUEGEFOITGEQJA-NSHDSACASA-N 0 1 277.364 3.750 20 0 CHADMN Cc1c2ccccc2oc1[C@H](NCc1cn[nH]c1)C(C)C ZINC000601775444 1127544449 /nfs/dbraw/zinc/54/44/49/1127544449.db2.gz TWTSFRLFTATIKD-MRXNPFEDSA-N 0 1 283.375 3.951 20 0 CHADMN Cn1cc(CN2CCC[C@@H]2c2cccs2)c(C(F)F)n1 ZINC000361181303 1127544556 /nfs/dbraw/zinc/54/45/56/1127544556.db2.gz ZMBZUXCTZBQXOB-LLVKDONJSA-N 0 1 297.374 3.756 20 0 CHADMN Cc1cccc(CNCc2nc3cc(F)ccc3n2C)c1C ZINC000076758632 1127546012 /nfs/dbraw/zinc/54/60/12/1127546012.db2.gz FGYBDGXJDJGRJO-UHFFFAOYSA-N 0 1 297.377 3.619 20 0 CHADMN COc1ccncc1CN[C@@H]1CC(C)(C)c2ccccc21 ZINC000294082187 1127547762 /nfs/dbraw/zinc/54/77/62/1127547762.db2.gz IKWQFFSNUVCDKG-MRXNPFEDSA-N 0 1 282.387 3.602 20 0 CHADMN CN(Cc1cccnc1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361237140 1127549363 /nfs/dbraw/zinc/54/93/63/1127549363.db2.gz IIORDEBWEONXDI-CHWSQXEVSA-N 0 1 272.314 3.635 20 0 CHADMN COc1ncccc1CNCc1ccc(C2CCC2)cc1 ZINC000294112373 1127550110 /nfs/dbraw/zinc/55/01/10/1127550110.db2.gz MZHHBZDJQSUACB-UHFFFAOYSA-N 0 1 282.387 3.648 20 0 CHADMN CCN(Cc1nc2ccc(Br)cc2o1)C1CC1 ZINC000361284981 1127553298 /nfs/dbraw/zinc/55/32/98/1127553298.db2.gz ADMAQDKDBQKANL-UHFFFAOYSA-N 0 1 295.180 3.575 20 0 CHADMN CCCC1CCC(N(C)C(=O)c2cccc3n[nH]cc32)CC1 ZINC000361453785 1127564520 /nfs/dbraw/zinc/56/45/20/1127564520.db2.gz JJLQRKULDNMWET-UHFFFAOYSA-N 0 1 299.418 3.994 20 0 CHADMN FC(F)(F)c1cncc(CN2CCCC23CCC3)c1 ZINC000361393863 1127560908 /nfs/dbraw/zinc/56/09/08/1127560908.db2.gz ZBGQGNWSCKTHMF-UHFFFAOYSA-N 0 1 270.298 3.619 20 0 CHADMN Cc1ccncc1CN(C)CCSc1ccccc1F ZINC000361413013 1127562322 /nfs/dbraw/zinc/56/23/22/1127562322.db2.gz ORNKRJJXNMUJHL-UHFFFAOYSA-N 0 1 290.407 3.753 20 0 CHADMN CC1=CC[C@H](N[C@H](c2nccn2C)c2cccc(F)c2)CC1 ZINC000294383590 1127569135 /nfs/dbraw/zinc/56/91/35/1127569135.db2.gz UZCUENUQISQRRU-IRXDYDNUSA-N 0 1 299.393 3.737 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cc3ccccc3o2)n1 ZINC000361601873 1127576004 /nfs/dbraw/zinc/57/60/04/1127576004.db2.gz OVNJMLMABGSEMI-LLVKDONJSA-N 0 1 271.320 3.529 20 0 CHADMN CO[C@H](C)c1nc(C[N@@H+](CC2CC2)CC2CCC2)cs1 ZINC000361564789 1127573004 /nfs/dbraw/zinc/57/30/04/1127573004.db2.gz KMXHAQYNTSIVMY-GFCCVEGCSA-N 0 1 294.464 3.863 20 0 CHADMN CO[C@H](C)c1nc(CN(CC2CC2)CC2CCC2)cs1 ZINC000361564789 1127573005 /nfs/dbraw/zinc/57/30/05/1127573005.db2.gz KMXHAQYNTSIVMY-GFCCVEGCSA-N 0 1 294.464 3.863 20 0 CHADMN CCN(CCCF)Cc1ccccc1Br ZINC000361631590 1127578275 /nfs/dbraw/zinc/57/82/75/1127578275.db2.gz QDMKEUFVNDCTAW-UHFFFAOYSA-N 0 1 274.177 3.631 20 0 CHADMN Cc1cnc(CN2CC[C@@](C)(c3ccc(F)cc3)C2)s1 ZINC000361643166 1127578996 /nfs/dbraw/zinc/57/89/96/1127578996.db2.gz LUSMWGWWISOYSD-MRXNPFEDSA-N 0 1 290.407 3.754 20 0 CHADMN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(C)ns2)C1 ZINC000602481576 1127584072 /nfs/dbraw/zinc/58/40/72/1127584072.db2.gz GMTJZFNIHLWWTE-RYUDHWBXSA-N 0 1 270.467 3.558 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1cnc3cccc(C)n13)C2 ZINC000361729399 1127584294 /nfs/dbraw/zinc/58/42/94/1127584294.db2.gz UAIKWDQJWNXYCV-UHFFFAOYSA-N 0 1 291.398 3.509 20 0 CHADMN Cc1ccc2c(c1)CCN([C@H](C)c1cccnc1)C2 ZINC000361847211 1127593592 /nfs/dbraw/zinc/59/35/92/1127593592.db2.gz BHQCVIGDWXPPPB-CQSZACIVSA-N 0 1 252.361 3.509 20 0 CHADMN [O-]c1ccc(F)c(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c1F ZINC000294723391 1127594503 /nfs/dbraw/zinc/59/45/03/1127594503.db2.gz PMPPVXJOIMEXFZ-SECBINFHSA-N 0 1 291.288 3.586 20 0 CHADMN Fc1cccc(F)c1CNCCSCc1ccccc1 ZINC000060843150 1127600657 /nfs/dbraw/zinc/60/06/57/1127600657.db2.gz SQKVPAUOXQUPNI-UHFFFAOYSA-N 0 1 293.382 3.988 20 0 CHADMN Cc1ccccc1[C@H](N)C(=O)Nc1ccccc1C(C)(C)C ZINC000294782549 1127598517 /nfs/dbraw/zinc/59/85/17/1127598517.db2.gz NWDNEUPLIDHRTK-KRWDZBQOSA-N 0 1 296.414 3.931 20 0 CHADMN CC(C)O[C@H]1C[C@H](NCc2ncc(C(C)C)s2)C1(C)C ZINC000361913682 1127598742 /nfs/dbraw/zinc/59/87/42/1127598742.db2.gz KTLUIXAFNHGXLF-KBPBESRZSA-N 0 1 296.480 3.948 20 0 CHADMN Cc1sccc1CNCc1cccc(C(F)(F)F)n1 ZINC000294886120 1127605999 /nfs/dbraw/zinc/60/59/99/1127605999.db2.gz WAHJPZLFSPSVGL-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN Cc1ccncc1CN1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000294988204 1127612421 /nfs/dbraw/zinc/61/24/21/1127612421.db2.gz KKHAAFHXEDKYEF-DGCLKSJQSA-N 0 1 272.314 3.553 20 0 CHADMN CSC1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000602724267 1127609366 /nfs/dbraw/zinc/60/93/66/1127609366.db2.gz BLDZYVWGIQQTRF-UHFFFAOYSA-N 0 1 282.478 3.738 20 0 CHADMN CCn1cc([C@H](C)NCc2ccc(Cl)cc2C)cn1 ZINC000294945729 1127610270 /nfs/dbraw/zinc/61/02/70/1127610270.db2.gz VPSYNEVPPFXGDM-LBPRGKRZSA-N 0 1 277.799 3.716 20 0 CHADMN CCc1cccc2c1OCC[C@@H]2NCc1ccncc1C ZINC000294968926 1127611083 /nfs/dbraw/zinc/61/10/83/1127611083.db2.gz GFPDUPPNKGWHCO-KRWDZBQOSA-N 0 1 282.387 3.566 20 0 CHADMN CC/C=C/CNCc1cc2cnn(C(C)C)c2nc1Cl ZINC000294996537 1127612545 /nfs/dbraw/zinc/61/25/45/1127612545.db2.gz HZRHIMUGXADBKK-AATRIKPKSA-N 0 1 292.814 3.721 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1NCC(=O)c1ccccc1F ZINC000602818232 1127617056 /nfs/dbraw/zinc/61/70/56/1127617056.db2.gz MGMJAUAIBMWUNP-GDBMZVCRSA-N 0 1 295.423 3.662 20 0 CHADMN C[C@@H](C1CCC1)N(C)Cc1nnc(-c2ccccc2)s1 ZINC000362180159 1127617338 /nfs/dbraw/zinc/61/73/38/1127617338.db2.gz MOKPUYPOKDVCJK-LBPRGKRZSA-N 0 1 287.432 3.826 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)C1(C(F)(F)F)CCC1 ZINC000295060038 1127617414 /nfs/dbraw/zinc/61/74/14/1127617414.db2.gz KTEWURCVTCKHHS-UHFFFAOYSA-N 0 1 293.672 3.717 20 0 CHADMN CS[C@H]1CCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000295030170 1127615304 /nfs/dbraw/zinc/61/53/04/1127615304.db2.gz LMZJRVRCQBIBHV-ZDUSSCGKSA-N 0 1 290.457 3.747 20 0 CHADMN CCc1ncc(CN[C@@H]2C[C@@H](C)Oc3ccccc32)s1 ZINC000295088800 1127619839 /nfs/dbraw/zinc/61/98/39/1127619839.db2.gz RHECHBQNTFQTJX-BXUZGUMPSA-N 0 1 288.416 3.707 20 0 CHADMN COc1ccsc1CN[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000295115498 1127621192 /nfs/dbraw/zinc/62/11/92/1127621192.db2.gz VQUZBUKQKFFDDX-DGCLKSJQSA-N 0 1 289.400 3.759 20 0 CHADMN Cc1sccc1CNCc1ccnc(C(F)(F)F)c1 ZINC000295131925 1127622131 /nfs/dbraw/zinc/62/21/31/1127622131.db2.gz YFKUGXPJXOZDLX-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN Cc1cc(CN[C@H]2CCOc3ccc(F)cc32)cs1 ZINC000295167202 1127624604 /nfs/dbraw/zinc/62/46/04/1127624604.db2.gz KZANPDMHHOZGSP-AWEZNQCLSA-N 0 1 277.364 3.809 20 0 CHADMN CCC1(C)CCN(Cc2ccc(Cl)nc2)CC1 ZINC000060941616 1127624712 /nfs/dbraw/zinc/62/47/12/1127624712.db2.gz PPICJWRJDXGQLI-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@H]2COc3ccc(C)cc32)s1 ZINC000362292858 1127625595 /nfs/dbraw/zinc/62/55/95/1127625595.db2.gz FAVFOMGAOBZKCA-FZMZJTMJSA-N 0 1 288.416 3.853 20 0 CHADMN CO[C@H](CN(C)Cc1ccccn1)c1ccc(Cl)cc1 ZINC000295187913 1127626044 /nfs/dbraw/zinc/62/60/44/1127626044.db2.gz QRPKGWRERYLALO-MRXNPFEDSA-N 0 1 290.794 3.555 20 0 CHADMN CC(C)SCCN[C@H](CF)c1ccc(F)cc1 ZINC000603017726 1127626900 /nfs/dbraw/zinc/62/69/00/1127626900.db2.gz JUPOBNNKDKIMQO-CYBMUJFWSA-N 0 1 259.365 3.568 20 0 CHADMN CCCO[C@@H]1CCC[N@H+](Cc2cccc([O-])c2Cl)CC1 ZINC000295217203 1127628473 /nfs/dbraw/zinc/62/84/73/1127628473.db2.gz BHHFYBQKCAHQCX-CQSZACIVSA-N 0 1 297.826 3.827 20 0 CHADMN CCCO[C@@H]1CCC[N@@H+](Cc2cccc([O-])c2Cl)CC1 ZINC000295217203 1127628475 /nfs/dbraw/zinc/62/84/75/1127628475.db2.gz BHHFYBQKCAHQCX-CQSZACIVSA-N 0 1 297.826 3.827 20 0 CHADMN CC[C@]1(C)CCCN([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000362389613 1127632354 /nfs/dbraw/zinc/63/23/54/1127632354.db2.gz BMCLUESCMAIQQH-WMLDXEAASA-N 0 1 274.408 3.526 20 0 CHADMN CC[C@H]1CN(Cc2cc(-c3ccccc3)no2)CCS1 ZINC000362393214 1127632674 /nfs/dbraw/zinc/63/26/74/1127632674.db2.gz BDTKUXIXKDSZEM-HNNXBMFYSA-N 0 1 288.416 3.669 20 0 CHADMN Cc1nocc1CN1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000295293797 1127633542 /nfs/dbraw/zinc/63/35/42/1127633542.db2.gz JHAAGFDYJATOFN-ZBEGNZNMSA-N 0 1 274.339 3.705 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1C[C@@H](C)CC[C@H]1C ZINC000362435082 1127635208 /nfs/dbraw/zinc/63/52/08/1127635208.db2.gz CQBAVXMIFWFSDV-QWHCGFSZSA-N 0 1 289.398 3.816 20 0 CHADMN CCCc1nc(CN2C[C@H](C)CC[C@@H]2C)cs1 ZINC000362439320 1127635521 /nfs/dbraw/zinc/63/55/21/1127635521.db2.gz ODBAEXZYIAULJQ-NEPJUHHUSA-N 0 1 252.427 3.716 20 0 CHADMN CCn1ccnc1[C@H](C)NCc1c(C)cc(C)cc1C ZINC000295331479 1127635820 /nfs/dbraw/zinc/63/58/20/1127635820.db2.gz XOGZUQBBWOBBPI-HNNXBMFYSA-N 0 1 271.408 3.679 20 0 CHADMN C[C@H](c1ccco1)N(C)CCCC(=O)c1ccccc1 ZINC000295568340 1127647122 /nfs/dbraw/zinc/64/71/22/1127647122.db2.gz QWVPBOYFRWQZJV-CQSZACIVSA-N 0 1 271.360 3.936 20 0 CHADMN COC[C@@H](NCc1csc(C)c1)c1ccc(F)c(F)c1 ZINC000295516784 1127645716 /nfs/dbraw/zinc/64/57/16/1127645716.db2.gz VHUKHTWJEBLCSR-OAHLLOKOSA-N 0 1 297.370 3.812 20 0 CHADMN Cc1ccc(CNCc2ccncc2C)c(OCC2CC2)c1 ZINC000295725178 1127651441 /nfs/dbraw/zinc/65/14/41/1127651441.db2.gz NUJKKMGPKOLZNA-UHFFFAOYSA-N 0 1 296.414 3.777 20 0 CHADMN COc1cccc(CNC(C)(C)c2ccc(C)nc2)c1F ZINC000669684375 1127652403 /nfs/dbraw/zinc/65/24/03/1127652403.db2.gz MIRBUJHGSNMTID-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN CC[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(Cl)c1O ZINC001447064278 1127652822 /nfs/dbraw/zinc/65/28/22/1127652822.db2.gz OZFLBPRZSAAGGH-ZJUUUORDSA-N 0 1 267.756 3.810 20 0 CHADMN CC(C)OC1CCN(c2ccnc3cc(F)ccc32)CC1 ZINC000603493395 1127654812 /nfs/dbraw/zinc/65/48/12/1127654812.db2.gz GVCLRNUUYYQZLK-UHFFFAOYSA-N 0 1 288.366 3.768 20 0 CHADMN Cc1cncc([C@H](C)N[C@@H]2C[C@@H](C)Oc3ccccc32)c1 ZINC000295836946 1127654998 /nfs/dbraw/zinc/65/49/98/1127654998.db2.gz AHQVDNJQQPXSQN-JKIFEVAISA-N 0 1 282.387 3.953 20 0 CHADMN Cc1ccc(CN[C@H]2CCCc3nc(Cl)ccc32)cn1 ZINC000295869948 1127655983 /nfs/dbraw/zinc/65/59/83/1127655983.db2.gz HBTDUOOMYKGOBM-AWEZNQCLSA-N 0 1 287.794 3.606 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCc3nc(Cl)ccc32)cn1 ZINC000295869952 1127655994 /nfs/dbraw/zinc/65/59/94/1127655994.db2.gz HBTDUOOMYKGOBM-CQSZACIVSA-N 0 1 287.794 3.606 20 0 CHADMN COc1cccc2c1OCC[C@H]2NCc1cc(C)cc(C)c1 ZINC000603518772 1127656530 /nfs/dbraw/zinc/65/65/30/1127656530.db2.gz MDDJKWABHOZXHH-QGZVFWFLSA-N 0 1 297.398 3.925 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H]1CCCc2ccccc21 ZINC000295967208 1127658767 /nfs/dbraw/zinc/65/87/67/1127658767.db2.gz MKPJJWFUXOLZLH-XJKSGUPXSA-N 0 1 269.392 3.631 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1cc(F)ncc1F ZINC000295978231 1127658880 /nfs/dbraw/zinc/65/88/80/1127658880.db2.gz JDNRMHFXWZXHQU-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN C[C@@H](NCc1ccc(CO)o1)c1cccc(C2CC2)c1 ZINC000296136377 1127663798 /nfs/dbraw/zinc/66/37/98/1127663798.db2.gz UWLIZDVUYLQVAB-GFCCVEGCSA-N 0 1 271.360 3.500 20 0 CHADMN Cc1ccncc1CN[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000296149213 1127663848 /nfs/dbraw/zinc/66/38/48/1127663848.db2.gz VTMSPXZUKNILIZ-QGZVFWFLSA-N 0 1 288.341 3.835 20 0 CHADMN CCn1nccc1CN[C@H](C)c1cccc(C2CC2)c1 ZINC000296059830 1127661898 /nfs/dbraw/zinc/66/18/98/1127661898.db2.gz PHEBWXBVJRUPGB-CYBMUJFWSA-N 0 1 269.392 3.631 20 0 CHADMN Cc1nc(CN2CCC[C@@H](c3ccncc3)C2)sc1C ZINC000296126257 1127663893 /nfs/dbraw/zinc/66/38/93/1127663893.db2.gz YTWZNWRQOUYKKA-OAHLLOKOSA-N 0 1 287.432 3.535 20 0 CHADMN CCOCCN[C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000296155144 1127664377 /nfs/dbraw/zinc/66/43/77/1127664377.db2.gz WYOINHOALQSKSF-AWEZNQCLSA-N 0 1 286.375 3.561 20 0 CHADMN c1cn2c(n1)[C@@H](N[C@H](CC1CCC1)c1ccccc1)CC2 ZINC000296235062 1127665657 /nfs/dbraw/zinc/66/56/57/1127665657.db2.gz APMPLCGZWQBLNC-DLBZAZTESA-N 0 1 281.403 3.849 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1ccncc1 ZINC000296350807 1127669531 /nfs/dbraw/zinc/66/95/31/1127669531.db2.gz IGKFHYSPFOPMGB-DVOMOZLQSA-N 0 1 268.360 3.645 20 0 CHADMN CCOCc1ccc(CNCc2cccc(C)c2F)cc1 ZINC000296386555 1127670339 /nfs/dbraw/zinc/67/03/39/1127670339.db2.gz KVHXDPGDHGCCBA-UHFFFAOYSA-N 0 1 287.378 3.960 20 0 CHADMN C[C@H](NC(=O)[C@@H]1CCCCN1C)c1cccc2ccccc21 ZINC000599389389 1127670469 /nfs/dbraw/zinc/67/04/69/1127670469.db2.gz QWUZXKDJPMAXEQ-KSSFIOAISA-N 0 1 296.414 3.501 20 0 CHADMN Cc1cc(C[N@@H+](Cc2cccnc2)C2CC2)cc(C)c1O ZINC000296542081 1127675083 /nfs/dbraw/zinc/67/50/83/1127675083.db2.gz ONEHSCVXNNGOSO-UHFFFAOYSA-N 0 1 282.387 3.569 20 0 CHADMN Cc1cc(CN(Cc2cccnc2)C2CC2)cc(C)c1O ZINC000296542081 1127675084 /nfs/dbraw/zinc/67/50/84/1127675084.db2.gz ONEHSCVXNNGOSO-UHFFFAOYSA-N 0 1 282.387 3.569 20 0 CHADMN Fc1cc(F)c(F)c(CN[C@H]2CCC23CCC3)c1F ZINC000669701282 1127675539 /nfs/dbraw/zinc/67/55/39/1127675539.db2.gz RARFJRGCKJCRAZ-NSHDSACASA-N 0 1 273.273 3.665 20 0 CHADMN CCN(c1ccc(N[C@@H]2CCn3ccnc32)cc1)C(C)C ZINC000296706138 1127681755 /nfs/dbraw/zinc/68/17/55/1127681755.db2.gz HYBGEDZDSSCPKD-MRXNPFEDSA-N 0 1 284.407 3.675 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)cs1 ZINC000296760045 1127682338 /nfs/dbraw/zinc/68/23/38/1127682338.db2.gz KBWPHMNNHLFWAO-MNOVXSKESA-N 0 1 278.425 3.710 20 0 CHADMN Cc1nnc(CN2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)s1 ZINC000296728498 1127682405 /nfs/dbraw/zinc/68/24/05/1127682405.db2.gz NXEZCRXVHHFWGO-TYNCELHUSA-N 0 1 287.432 3.613 20 0 CHADMN CCCC[C@H](C)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000669704066 1127682424 /nfs/dbraw/zinc/68/24/24/1127682424.db2.gz CDFOYXRTENJUBB-JTQLQIEISA-N 0 1 293.798 3.659 20 0 CHADMN Cc1nc(Br)ccc1CN1C[C@H](C)C[C@H](C)C1 ZINC001232324535 1127684363 /nfs/dbraw/zinc/68/43/63/1127684363.db2.gz ZLZYBGMQVMTBIC-PHIMTYICSA-N 0 1 297.240 3.630 20 0 CHADMN CCCC[C@@H](COC)N[C@H](c1ccccc1)c1ccccn1 ZINC000363789548 1127684790 /nfs/dbraw/zinc/68/47/90/1127684790.db2.gz AWCKDOKKDBZMCG-PKOBYXMFSA-N 0 1 298.430 3.966 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H]2CC(C)(C)c3ccccc32)c2nccn21 ZINC000297135222 1127689610 /nfs/dbraw/zinc/68/96/10/1127689610.db2.gz ZEZKNLDUJYNDKR-WQVCFCJDSA-N 0 1 281.403 3.901 20 0 CHADMN Cc1cc([C@H]2CCCN2c2ccnc3ccccc32)no1 ZINC000364205011 1127693096 /nfs/dbraw/zinc/69/30/96/1127693096.db2.gz DOMNFVMTIILTKJ-QGZVFWFLSA-N 0 1 279.343 3.873 20 0 CHADMN CCOc1ccccc1NCc1[nH]nc2ccccc21 ZINC000604065858 1127693416 /nfs/dbraw/zinc/69/34/16/1127693416.db2.gz NSGODNGMBMTYSX-UHFFFAOYSA-N 0 1 267.332 3.574 20 0 CHADMN COCC[C@@H]1CCCC[N@@H+](Cc2ncc(C(C)C)s2)C1 ZINC000364238049 1127693788 /nfs/dbraw/zinc/69/37/88/1127693788.db2.gz CZZBBBTZILTEIN-AWEZNQCLSA-N 0 1 296.480 3.905 20 0 CHADMN COCC[C@@H]1CCCCN(Cc2ncc(C(C)C)s2)C1 ZINC000364238049 1127693791 /nfs/dbraw/zinc/69/37/91/1127693791.db2.gz CZZBBBTZILTEIN-AWEZNQCLSA-N 0 1 296.480 3.905 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NCc1cc(C2CC2)ccc1F ZINC000297392299 1127695553 /nfs/dbraw/zinc/69/55/53/1127695553.db2.gz RXYWHPMQGXAECG-LLVKDONJSA-N 0 1 287.382 3.596 20 0 CHADMN CC(C)c1ccc(O[C@H](C)CN[C@H]2CCn3ccnc32)cc1 ZINC000297468877 1127696947 /nfs/dbraw/zinc/69/69/47/1127696947.db2.gz YLTAOXFHNWPNLD-PBHICJAKSA-N 0 1 299.418 3.508 20 0 CHADMN CCCO[C@H]1CCC[N@@H+](Cc2ccc(C(C)=O)cc2)CC1 ZINC000297502466 1127698668 /nfs/dbraw/zinc/69/86/68/1127698668.db2.gz NFCCSKJNQIVXLR-SFHVURJKSA-N 0 1 289.419 3.670 20 0 CHADMN COCCC1(C)CN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000297498345 1127698672 /nfs/dbraw/zinc/69/86/72/1127698672.db2.gz VWWFBAJZYHZBQD-UHFFFAOYSA-N 0 1 287.325 3.564 20 0 CHADMN CCC(=O)CCCN1CCSC[C@@H]1c1ccccc1 ZINC000297557903 1127700392 /nfs/dbraw/zinc/70/03/92/1127700392.db2.gz RJMZNPOPNJQJGR-MRXNPFEDSA-N 0 1 277.433 3.536 20 0 CHADMN CC(C)n1cc(CN(C)[C@H]2CCC[C@H]2c2ccccc2)nn1 ZINC000297595032 1127700636 /nfs/dbraw/zinc/70/06/36/1127700636.db2.gz TWSMKJYYHYULCI-ROUUACIJSA-N 0 1 298.434 3.627 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H](C)c1cc(C)cc(C)c1 ZINC000297766094 1127707393 /nfs/dbraw/zinc/70/73/93/1127707393.db2.gz OYQCKRAKRUQQPN-HUUCEWRRSA-N 0 1 271.408 3.932 20 0 CHADMN C[C@@H]1C[C@@H](NCC2(Sc3ccccc3)CC2)c2nccn21 ZINC000297826168 1127709336 /nfs/dbraw/zinc/70/93/36/1127709336.db2.gz RPGXSPVCSZHDHO-UKRRQHHQSA-N 0 1 299.443 3.803 20 0 CHADMN C[C@H](N[C@H]1CCc2nc(Cl)ccc21)c1ccns1 ZINC001118865866 1131240602 /nfs/dbraw/zinc/24/06/02/1131240602.db2.gz SKIYKXMUJCUERE-WPRPVWTQSA-N 0 1 279.796 3.530 20 0 CHADMN CCCc1nc(CN2CCc3ccccc3CC2)cs1 ZINC000604759657 1127716142 /nfs/dbraw/zinc/71/61/42/1127716142.db2.gz MMHKBNZUUHRZBX-UHFFFAOYSA-N 0 1 286.444 3.696 20 0 CHADMN CC(C)[C@H]1CCCCN1Cc1ncc(C(C)(C)C)o1 ZINC000605000352 1127725152 /nfs/dbraw/zinc/72/51/52/1127725152.db2.gz KHHRPEFWFVDIDG-CYBMUJFWSA-N 0 1 264.413 3.983 20 0 CHADMN CC[C@@H]1CCCN(CC(=O)Nc2ccc(C)cc2C)CC1 ZINC000604999203 1127725396 /nfs/dbraw/zinc/72/53/96/1127725396.db2.gz VHVLXGAWESGWDE-MRXNPFEDSA-N 0 1 288.435 3.754 20 0 CHADMN CO[C@]1(C)CCC[N@@H+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000366273986 1127744804 /nfs/dbraw/zinc/74/48/04/1127744804.db2.gz UEFGQVQGNQXSSW-MRXNPFEDSA-N 0 1 296.480 3.832 20 0 CHADMN CO[C@]1(C)CCCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000366273986 1127744809 /nfs/dbraw/zinc/74/48/09/1127744809.db2.gz UEFGQVQGNQXSSW-MRXNPFEDSA-N 0 1 296.480 3.832 20 0 CHADMN CO[C@@]1(C)CCCN([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000366476232 1127746289 /nfs/dbraw/zinc/74/62/89/1127746289.db2.gz NCULRALKXFEWMC-DYVFJYSZSA-N 0 1 294.439 3.924 20 0 CHADMN O[C@@H](CN1CCCCC1)c1ccc(Cl)cc1Cl ZINC000062350929 1127748651 /nfs/dbraw/zinc/74/86/51/1127748651.db2.gz ZHOPKPANPMENCH-ZDUSSCGKSA-N 0 1 274.191 3.513 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N1CCCC12CCCCC2 ZINC000366901030 1127748658 /nfs/dbraw/zinc/74/86/58/1127748658.db2.gz AETYPKSUJCNUHQ-UHFFFAOYSA-N 0 1 283.375 3.502 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CN(C)Cc3ccccc32)oc1C ZINC000368522175 1127758658 /nfs/dbraw/zinc/75/86/58/1127758658.db2.gz LXZFGYRGXLDHME-GUYCJALGSA-N 0 1 284.403 3.734 20 0 CHADMN CC(C)[C@H]1COCCN1Cc1ccc2ccsc2c1 ZINC001232617152 1127758724 /nfs/dbraw/zinc/75/87/24/1127758724.db2.gz XCPIJCVYBANLTL-OAHLLOKOSA-N 0 1 275.417 3.758 20 0 CHADMN CC(C)[C@H]1CN(C)CCN1C(=O)CCCC1CCCCC1 ZINC000606339619 1127760294 /nfs/dbraw/zinc/76/02/94/1127760294.db2.gz XELVNNIVDOFHLF-QGZVFWFLSA-N 0 1 294.483 3.536 20 0 CHADMN CCO[C@H]1CCCN(CCc2c(F)cccc2Cl)C1 ZINC000606439405 1127763076 /nfs/dbraw/zinc/76/30/76/1127763076.db2.gz XKAVUKFBSOFHLH-LBPRGKRZSA-N 0 1 285.790 3.523 20 0 CHADMN CC(C)(C)c1noc(CN2CCC[C@H]3CCCC[C@H]32)n1 ZINC000409446289 1127768098 /nfs/dbraw/zinc/76/80/98/1127768098.db2.gz UANLNRUTVKRCRY-CHWSQXEVSA-N 0 1 277.412 3.522 20 0 CHADMN CC(C)(C)c1cnc(CN2CCC[C@@H]3CCC[C@H]32)o1 ZINC000409445734 1127769427 /nfs/dbraw/zinc/76/94/27/1127769427.db2.gz BTLNEAZKRGLKLI-QWHCGFSZSA-N 0 1 262.397 3.737 20 0 CHADMN CC[C@@H]1CCCCCN1Cc1nc(-c2cccs2)no1 ZINC000606901224 1127781656 /nfs/dbraw/zinc/78/16/56/1127781656.db2.gz OOQYCBSLMYYJLQ-GFCCVEGCSA-N 0 1 291.420 3.953 20 0 CHADMN c1ccc(-c2nnc(CN3CCC[C@H]3C3CC3)s2)cc1 ZINC000372063233 1127787653 /nfs/dbraw/zinc/78/76/53/1127787653.db2.gz PAGYTGPNSXWWFW-AWEZNQCLSA-N 0 1 285.416 3.580 20 0 CHADMN COc1cccc2c1OCC[C@@H]2N[C@H](C)c1cncc(C)c1 ZINC000372106578 1127788096 /nfs/dbraw/zinc/78/80/96/1127788096.db2.gz AHCMODCQJIIZCJ-CJNGLKHVSA-N 0 1 298.386 3.573 20 0 CHADMN C[C@H]1CN(Cn2cccnc2=S)CC[C@@H]1c1ccccc1 ZINC000172937227 1127796250 /nfs/dbraw/zinc/79/62/50/1127796250.db2.gz XFKOUXSXDHLBNV-HOCLYGCPSA-N 0 1 299.443 3.696 20 0 CHADMN Fc1ccc([C@@H]2CCC[N@@H+](Cc3ccon3)CC2)cc1 ZINC000373203782 1127828643 /nfs/dbraw/zinc/82/86/43/1127828643.db2.gz OXRHGTZNYJPGKD-CYBMUJFWSA-N 0 1 274.339 3.583 20 0 CHADMN Fc1ccc([C@@H]2CCCN(Cc3ccon3)CC2)cc1 ZINC000373203782 1127828649 /nfs/dbraw/zinc/82/86/49/1127828649.db2.gz OXRHGTZNYJPGKD-CYBMUJFWSA-N 0 1 274.339 3.583 20 0 CHADMN CN(CCCCCCCO)Cc1nc2ccccc2s1 ZINC000173502372 1127836901 /nfs/dbraw/zinc/83/69/01/1127836901.db2.gz WZRBVESHIYWHEA-UHFFFAOYSA-N 0 1 292.448 3.671 20 0 CHADMN CCCCN(C)Cc1ccc(-c2ncco2)cc1F ZINC000411123484 1127841097 /nfs/dbraw/zinc/84/10/97/1127841097.db2.gz DFQIPYGAPVLKND-UHFFFAOYSA-N 0 1 262.328 3.713 20 0 CHADMN CC[C@@H](C)[C@H](NCc1cc[nH]n1)c1ccc(Cl)cc1 ZINC000608062107 1127842244 /nfs/dbraw/zinc/84/22/44/1127842244.db2.gz QZSFZQZUKRTLKF-ABAIWWIYSA-N 0 1 277.799 3.940 20 0 CHADMN Cc1nc([C@@H](C)N2CCC(CCc3ccccc3)CC2)n[nH]1 ZINC000411137645 1127842770 /nfs/dbraw/zinc/84/27/70/1127842770.db2.gz PEZOPOFQSBDBOB-CQSZACIVSA-N 0 1 298.434 3.519 20 0 CHADMN CCCN(CCC)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000411166222 1127843375 /nfs/dbraw/zinc/84/33/75/1127843375.db2.gz LMNSAFUMFZLLBE-NSHDSACASA-N 0 1 253.390 3.550 20 0 CHADMN CC[C@H](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)N(C)CC ZINC000608144941 1127851846 /nfs/dbraw/zinc/85/18/46/1127851846.db2.gz AJEIUSFZWMBWCH-UXLLHSPISA-N 0 1 290.451 3.620 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(O)c2Cl)CCC1(F)F ZINC001232784639 1127853321 /nfs/dbraw/zinc/85/33/21/1127853321.db2.gz RMSOGYMFHOACNI-SNVBAGLBSA-N 0 1 289.753 3.913 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000373689748 1127857426 /nfs/dbraw/zinc/85/74/26/1127857426.db2.gz KJQKEZJYELSUKH-RHSMWYFYSA-N 0 1 292.386 3.553 20 0 CHADMN COC(=O)c1cc(CN[C@H](C)c2ccccc2C)cs1 ZINC000411434958 1127859541 /nfs/dbraw/zinc/85/95/41/1127859541.db2.gz BCWXCJIRORJSTK-GFCCVEGCSA-N 0 1 289.400 3.694 20 0 CHADMN CCc1ccc(CN[C@@H](CC)c2ccc(OC)cc2)nc1 ZINC000411442962 1127860992 /nfs/dbraw/zinc/86/09/92/1127860992.db2.gz XCWVTSVWXDTXEL-SFHVURJKSA-N 0 1 284.403 3.894 20 0 CHADMN CCc1ccc(CC(=O)Nc2cccc(Cl)c2O)cc1 ZINC000608363946 1127862716 /nfs/dbraw/zinc/86/27/16/1127862716.db2.gz LWYYNWQGHQSMNZ-UHFFFAOYSA-N 0 1 289.762 3.789 20 0 CHADMN CC[C@H](NCCOc1c(C)cccc1C)c1nccs1 ZINC000411520515 1127863997 /nfs/dbraw/zinc/86/39/97/1127863997.db2.gz WFBDSHKTLBJYFW-AWEZNQCLSA-N 0 1 290.432 3.880 20 0 CHADMN Cc1nccc(CN[C@H]2CC(C)(C)CCc3ccccc32)n1 ZINC000373867460 1127864609 /nfs/dbraw/zinc/86/46/09/1127864609.db2.gz PUTICAYSUOYBRK-SFHVURJKSA-N 0 1 295.430 3.978 20 0 CHADMN c1coc([C@H]2CCN(Cc3coc(-c4ccccc4)n3)C2)c1 ZINC000374007129 1127868876 /nfs/dbraw/zinc/86/88/76/1127868876.db2.gz BLOSOXRXYAKYRV-HNNXBMFYSA-N 0 1 294.354 3.924 20 0 CHADMN CCc1cnc(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)o1 ZINC000608492327 1127870589 /nfs/dbraw/zinc/87/05/89/1127870589.db2.gz LAANPGFGJQMDMN-NWANDNLSSA-N 0 1 262.397 3.638 20 0 CHADMN Fc1cccc(CN2C3CCCC2CCC3)c1F ZINC000608499307 1127872051 /nfs/dbraw/zinc/87/20/51/1127872051.db2.gz GBMRUAIIFCYLID-UHFFFAOYSA-N 0 1 251.320 3.872 20 0 CHADMN CC[C@]1(C)CCCN(Cc2cn3cccc(C)c3n2)C1 ZINC000608507314 1127872652 /nfs/dbraw/zinc/87/26/52/1127872652.db2.gz TYXKABRCORRPCY-QGZVFWFLSA-N 0 1 271.408 3.655 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000608511086 1127874590 /nfs/dbraw/zinc/87/45/90/1127874590.db2.gz DWYBSXLPBTUFLS-ZIAGYGMSSA-N 0 1 287.382 3.632 20 0 CHADMN Cc1cnc(CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)o1 ZINC000608560523 1127876418 /nfs/dbraw/zinc/87/64/18/1127876418.db2.gz CDANTSMHPPBOSM-HNNXBMFYSA-N 0 1 295.386 3.844 20 0 CHADMN CCc1ccc(NC(=O)CN2C3CCCC2CCC3)cc1 ZINC000608564825 1127877094 /nfs/dbraw/zinc/87/70/94/1127877094.db2.gz CQPSUNHKCFGXHF-UHFFFAOYSA-N 0 1 286.419 3.595 20 0 CHADMN O=C1C[C@@]2(CCN(CC3=CCCCC3)C2)Oc2ccccc21 ZINC000411984212 1127884362 /nfs/dbraw/zinc/88/43/62/1127884362.db2.gz MREKCMLFKSPAER-LJQANCHMSA-N 0 1 297.398 3.597 20 0 CHADMN CC(C)c1ccc([C@@H]2CCCN2Cc2cncnc2)cc1 ZINC000374282895 1127884975 /nfs/dbraw/zinc/88/49/75/1127884975.db2.gz HZQVASGRLGTDJE-SFHVURJKSA-N 0 1 281.403 3.937 20 0 CHADMN Cc1nnc(CN(C)[C@H]2CCCC[C@H]2c2ccccc2)o1 ZINC000411998602 1127885755 /nfs/dbraw/zinc/88/57/55/1127885755.db2.gz NVVDWCWDPOQHSX-HOTGVXAUSA-N 0 1 285.391 3.536 20 0 CHADMN CN(Cc1cnns1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000412017682 1127890768 /nfs/dbraw/zinc/89/07/68/1127890768.db2.gz ZXBIOYHXBRIGBO-HZPDHXFCSA-N 0 1 287.432 3.696 20 0 CHADMN Cc1ccc(-c2nnc(CN3CC(C)(C)C[C@H]3C)o2)cc1 ZINC000412039328 1127893690 /nfs/dbraw/zinc/89/36/90/1127893690.db2.gz JLRMIPIFCNXDPR-CYBMUJFWSA-N 0 1 285.391 3.665 20 0 CHADMN CCCCc1noc([C@H](C)N2CC(C)(C)C[C@H]2C)n1 ZINC000412048962 1127894778 /nfs/dbraw/zinc/89/47/78/1127894778.db2.gz VRIDILDVWJIIHN-NEPJUHHUSA-N 0 1 265.401 3.594 20 0 CHADMN CC(C)CCN(C)Cc1ccc(Cl)nc1Cl ZINC000232546762 1127897255 /nfs/dbraw/zinc/89/72/55/1127897255.db2.gz SWQHUGAADVGMJK-UHFFFAOYSA-N 0 1 261.196 3.866 20 0 CHADMN COc1cccc([C@H](C)N2CCOC3(CCCCC3)C2)c1 ZINC000429785571 1127905634 /nfs/dbraw/zinc/90/56/34/1127905634.db2.gz LNWLPSGFSJBPFD-HNNXBMFYSA-N 0 1 289.419 3.791 20 0 CHADMN CCc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2)cc1 ZINC000007380555 1127905679 /nfs/dbraw/zinc/90/56/79/1127905679.db2.gz VOOLHUPJPMTIDM-OAHLLOKOSA-N 0 1 296.414 3.708 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cc(F)cnc1C ZINC001232990003 1127907038 /nfs/dbraw/zinc/90/70/38/1127907038.db2.gz BEWAMVAKTVWGIX-UHFFFAOYSA-N 0 1 276.330 3.690 20 0 CHADMN C[C@H](c1cccnc1)N1CC[C@](F)(c2ccccc2)C1 ZINC000374639664 1127907196 /nfs/dbraw/zinc/90/71/96/1127907196.db2.gz VFTFPTJCCPSRRE-RHSMWYFYSA-N 0 1 270.351 3.713 20 0 CHADMN CC(C)Oc1ccc(CNCc2ccccc2F)cc1 ZINC000035258691 1127909066 /nfs/dbraw/zinc/90/90/66/1127909066.db2.gz JLCODKABDSHMDP-UHFFFAOYSA-N 0 1 273.351 3.903 20 0 CHADMN CC[C@H](CC(F)(F)F)C(=O)Nc1ccc(F)c(F)c1O ZINC000457314863 1127909301 /nfs/dbraw/zinc/90/93/01/1127909301.db2.gz NRWJYEZJYTWARE-ZCFIWIBFSA-N 0 1 297.223 3.588 20 0 CHADMN [O-]c1cnc(Cl)cc1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001233034639 1127912505 /nfs/dbraw/zinc/91/25/05/1127912505.db2.gz OSFHPWZFXYVRMM-YPMHNXCESA-N 0 1 280.799 3.595 20 0 CHADMN CC1(C)CN(Cc2cnc3ccccn23)Cc2ccccc21 ZINC000535382865 1127914318 /nfs/dbraw/zinc/91/43/18/1127914318.db2.gz AHOOPTFXGFFIGF-UHFFFAOYSA-N 0 1 291.398 3.628 20 0 CHADMN CCCN1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428788070 1127928355 /nfs/dbraw/zinc/92/83/55/1127928355.db2.gz VSEUWVPNMLHYEK-BXUZGUMPSA-N 0 1 287.325 3.877 20 0 CHADMN CC(C)(CNCc1nc2c(s1)CCCC2)C(F)(F)F ZINC000669830634 1127928359 /nfs/dbraw/zinc/92/83/59/1127928359.db2.gz FQKFMLJBNIASRA-UHFFFAOYSA-N 0 1 292.370 3.700 20 0 CHADMN C[C@@H](NCc1scnc1C1CC1)c1ccsc1 ZINC000669830829 1127929403 /nfs/dbraw/zinc/92/94/03/1127929403.db2.gz NBKGZVDRDKVPDE-SECBINFHSA-N 0 1 264.419 3.933 20 0 CHADMN C[C@@H](NCc1cc(-c2ccccc2)n[nH]1)c1ccsc1 ZINC000669831065 1127929410 /nfs/dbraw/zinc/92/94/10/1127929410.db2.gz NRKNJMKHTOVJDE-GFCCVEGCSA-N 0 1 283.400 3.989 20 0 CHADMN Cc1cccn2c(CN[C@@H](C)c3ccsc3)cnc12 ZINC000669830781 1127929462 /nfs/dbraw/zinc/92/94/62/1127929462.db2.gz ACZZVYIPXCKDCW-LBPRGKRZSA-N 0 1 271.389 3.555 20 0 CHADMN C[C@@H](NC[C@](C)(O)C(F)F)c1ccc(Cl)cc1Cl ZINC000698706119 1127930189 /nfs/dbraw/zinc/93/01/89/1127930189.db2.gz ZXMXOGOEOAIJPJ-KRTXAFLBSA-N 0 1 298.160 3.660 20 0 CHADMN Cc1cc(CN2CCC(F)(F)C(C)(C)C2)cnc1C ZINC001233156403 1127930942 /nfs/dbraw/zinc/93/09/42/1127930942.db2.gz MKMSTEJKHDMUGK-UHFFFAOYSA-N 0 1 268.351 3.566 20 0 CHADMN COc1ccc2nc(SC3CC(OC(C)C)C3)[nH]c2c1 ZINC000412981330 1127934784 /nfs/dbraw/zinc/93/47/84/1127934784.db2.gz GSVLZNWVKGOVIZ-UHFFFAOYSA-N 0 1 292.404 3.620 20 0 CHADMN CC[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N(C)C ZINC000413063302 1127940810 /nfs/dbraw/zinc/94/08/10/1127940810.db2.gz CZVKFCOOWNCGDP-MRXNPFEDSA-N 0 1 298.386 3.758 20 0 CHADMN Cc1ccc([C@H]2[C@H](C)CCCN2Cc2ccn(C)n2)cc1 ZINC000539822938 1127943082 /nfs/dbraw/zinc/94/30/82/1127943082.db2.gz XGGUTXQHICLIHD-CRAIPNDOSA-N 0 1 283.419 3.702 20 0 CHADMN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)c1ncc(-c2ccccc2)o1 ZINC000375436633 1127944501 /nfs/dbraw/zinc/94/45/01/1127944501.db2.gz LDKQPOHFWPVEBN-XGWLTEMNSA-N 0 1 298.386 3.560 20 0 CHADMN CCc1ccc(CN(CC)Cc2ccccn2)s1 ZINC000539830969 1127945029 /nfs/dbraw/zinc/94/50/29/1127945029.db2.gz ZZEATRZGIYWWJC-UHFFFAOYSA-N 0 1 260.406 3.728 20 0 CHADMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1nc2ccccc2n1CC ZINC000539829198 1127945486 /nfs/dbraw/zinc/94/54/86/1127945486.db2.gz LCIKPXDTHMXQFR-KBPBESRZSA-N 0 1 271.408 3.677 20 0 CHADMN c1csc(CN2CCOC3(C2)CCCCCC3)c1 ZINC000539851789 1127948715 /nfs/dbraw/zinc/94/87/15/1127948715.db2.gz BSNSYVOMDPMMDO-UHFFFAOYSA-N 0 1 265.422 3.673 20 0 CHADMN COc1ccc2cc(CN(C)Cc3ccc[nH]3)ccc2c1 ZINC000539862205 1127949325 /nfs/dbraw/zinc/94/93/25/1127949325.db2.gz JFBWAGYCFLCGCC-UHFFFAOYSA-N 0 1 280.371 3.809 20 0 CHADMN C[C@@]1(F)CCN(Cc2cccc(OC(F)(F)F)c2)C1 ZINC000539923983 1127955059 /nfs/dbraw/zinc/95/50/59/1127955059.db2.gz QNBKXIPDKGFRSO-GFCCVEGCSA-N 0 1 277.261 3.519 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1Cc1nc2c(cccc2F)n1CC ZINC000467203967 1127958901 /nfs/dbraw/zinc/95/89/01/1127958901.db2.gz BJLUEURRTZHPFG-CHWSQXEVSA-N 0 1 289.398 3.816 20 0 CHADMN Cc1nc(CN(C)C[C@H]2CC=CCC2)nc2ccccc12 ZINC000544118639 1127959561 /nfs/dbraw/zinc/95/95/61/1127959561.db2.gz ZVMAXAMTKLYHIX-HNNXBMFYSA-N 0 1 281.403 3.726 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC[C@@H](Cc3ccccc3)C2)o1 ZINC000540054345 1127959670 /nfs/dbraw/zinc/95/96/70/1127959670.db2.gz WFMLUDHAARCEKR-WBVHZDCISA-N 0 1 284.403 3.999 20 0 CHADMN CCC[C@H](C)CC(=O)Nc1cc(C(=O)CC)ccc1O ZINC000462931181 1127960012 /nfs/dbraw/zinc/96/00/12/1127960012.db2.gz YEKUCUYCWMJGFT-NSHDSACASA-N 0 1 277.364 3.750 20 0 CHADMN CC(C)c1noc([C@H](C)N2CC[C@H](C(C)(C)C)C2)n1 ZINC000544187484 1127962083 /nfs/dbraw/zinc/96/20/83/1127962083.db2.gz CDQYSDQLUQXGPZ-RYUDHWBXSA-N 0 1 265.401 3.622 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1cc2ccccc2o1 ZINC000540192918 1127967489 /nfs/dbraw/zinc/96/74/89/1127967489.db2.gz ROKOKHSFGWZOMD-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN CC(C)CCc1nc(CNC2(C3CC3)CC2)cs1 ZINC000544411275 1127971812 /nfs/dbraw/zinc/97/18/12/1127971812.db2.gz XVSNGUBXGUDJAZ-UHFFFAOYSA-N 0 1 264.438 3.764 20 0 CHADMN CC(C)(O)CCN(Cc1c(F)cccc1F)C1CCCC1 ZINC000544405286 1127971833 /nfs/dbraw/zinc/97/18/33/1127971833.db2.gz YYLCJODTVWSAMN-UHFFFAOYSA-N 0 1 297.389 3.870 20 0 CHADMN C[C@@H]1C[C@H]1CN1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000467552795 1127973613 /nfs/dbraw/zinc/97/36/13/1127973613.db2.gz XXFOKSFZLUUDME-NEPJUHHUSA-N 0 1 272.367 3.711 20 0 CHADMN CC[C@H]1CN(Cc2ccc(C)c(Cl)c2)CCCO1 ZINC000467562464 1127974489 /nfs/dbraw/zinc/97/44/89/1127974489.db2.gz LZDYIMRCOCMWKU-AWEZNQCLSA-N 0 1 267.800 3.649 20 0 CHADMN Cc1nnc([C@@H](C)NCCCc2cccc3ccccc32)o1 ZINC000544517930 1127976526 /nfs/dbraw/zinc/97/65/26/1127976526.db2.gz GMUHZXJHXRNPEI-CYBMUJFWSA-N 0 1 295.386 3.815 20 0 CHADMN CC[C@H](N[C@@H]1c2ccccc2CC[C@H]1C)c1ccn(C)n1 ZINC000544572538 1127977273 /nfs/dbraw/zinc/97/72/73/1127977273.db2.gz FBCWQNQQWVMRDZ-SKDZVZGDSA-N 0 1 283.419 3.784 20 0 CHADMN CC[C@@H](N[C@@H](c1ccc(C)cc1)C1CC1)c1ccn(C)n1 ZINC000544580469 1127977695 /nfs/dbraw/zinc/97/76/95/1127977695.db2.gz WHLDKHYXZSLTJL-AEFFLSMTSA-N 0 1 283.419 3.921 20 0 CHADMN CCN(CCC1CC1)Cc1ncc(C(C)(C)C)o1 ZINC000544895276 1127987960 /nfs/dbraw/zinc/98/79/60/1127987960.db2.gz QLHNGGCUQUUKLS-UHFFFAOYSA-N 0 1 250.386 3.594 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@H]1COc2ccc(F)cc21 ZINC000468033129 1127988345 /nfs/dbraw/zinc/98/83/45/1127988345.db2.gz GTGGCEZECPRHFM-HOTGVXAUSA-N 0 1 299.345 3.545 20 0 CHADMN CC[C@]1(C)CCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000468124315 1127992542 /nfs/dbraw/zinc/99/25/42/1127992542.db2.gz AFOFMMTWUFCKBP-QGZVFWFLSA-N 0 1 270.376 3.964 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CC[C@@](C)(CC)C1 ZINC000468121791 1127992564 /nfs/dbraw/zinc/99/25/64/1127992564.db2.gz TZLIMZLUVPUYKG-QGZVFWFLSA-N 0 1 289.398 3.817 20 0 CHADMN CC[C@]1(C)CCN([C@H](C)C(=O)Nc2cc(F)ccc2C)C1 ZINC000468115060 1127993305 /nfs/dbraw/zinc/99/33/05/1127993305.db2.gz KGHMLYCUDRCSJE-CXAGYDPISA-N 0 1 292.398 3.583 20 0 CHADMN CC[C@@H](Oc1n[nH]c(=O)cc1Cl)c1ccccc1F ZINC001233589729 1127994116 /nfs/dbraw/zinc/99/41/16/1127994116.db2.gz LZTPXVOCGSCLMV-LLVKDONJSA-N 0 1 282.702 3.505 20 0 CHADMN COC/C(C)=C\C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000929633327 1127994324 /nfs/dbraw/zinc/99/43/24/1127994324.db2.gz VILYJIGVRKKMLL-FGLWMGOFSA-N 0 1 281.346 3.694 20 0 CHADMN COC/C(C)=C\CN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000929633327 1127994326 /nfs/dbraw/zinc/99/43/26/1127994326.db2.gz VILYJIGVRKKMLL-FGLWMGOFSA-N 0 1 281.346 3.694 20 0 CHADMN C[C@@H](c1ncccn1)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000929641076 1127999141 /nfs/dbraw/zinc/99/91/41/1127999141.db2.gz MJGFSEAQOFYZLH-MAUKXSAKSA-N 0 1 281.403 3.591 20 0 CHADMN Cc1cnc(=S)n(CN(C)C[C@@H](C)c2ccccc2)c1 ZINC000758318159 1128011700 /nfs/dbraw/zinc/01/17/00/1128011700.db2.gz JDRQTMGIYVKYNC-CQSZACIVSA-N 0 1 287.432 3.614 20 0 CHADMN Cc1cccc(NC(=O)CN2CC[C@@H](C)C(C)(C)C2)c1C ZINC000545420562 1128014058 /nfs/dbraw/zinc/01/40/58/1128014058.db2.gz MQCRSBWTQIFWLW-CQSZACIVSA-N 0 1 288.435 3.610 20 0 CHADMN Cc1cc(CN2CCCCC[C@H]2c2ccco2)c(C)nn1 ZINC000929675766 1128015868 /nfs/dbraw/zinc/01/58/68/1128015868.db2.gz IEPRVDXZOJONER-INIZCTEOSA-N 0 1 285.391 3.804 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2nc(C3CC3)cs2)n1 ZINC000541287430 1128016278 /nfs/dbraw/zinc/01/62/78/1128016278.db2.gz WDXVQHOWYNJUMS-UHFFFAOYSA-N 0 1 294.449 3.728 20 0 CHADMN CO[C@@H]1CCC[C@H]1Sc1nc2ccc(C)cc2[nH]1 ZINC000541409570 1128022739 /nfs/dbraw/zinc/02/27/39/1128022739.db2.gz XVHSRWIQHBCHNS-CHWSQXEVSA-N 0 1 262.378 3.531 20 0 CHADMN Cc1nccc(N2CC[C@H](Nc3ccccc3)C2)c1Cl ZINC000509028542 1128024285 /nfs/dbraw/zinc/02/42/85/1128024285.db2.gz CQZFUMNOLOGICR-AWEZNQCLSA-N 0 1 287.794 3.734 20 0 CHADMN CO[C@H]1CCC[C@H]1Sc1n[nH]c(CCC2CCCC2)n1 ZINC000541410070 1128021835 /nfs/dbraw/zinc/02/18/35/1128021835.db2.gz CJWJZVKMTGOMDR-QWHCGFSZSA-N 0 1 295.452 3.587 20 0 CHADMN CO[C@H]1CCC[C@H]1Sc1nc(CCC2CCCC2)n[nH]1 ZINC000541410070 1128021840 /nfs/dbraw/zinc/02/18/40/1128021840.db2.gz CJWJZVKMTGOMDR-QWHCGFSZSA-N 0 1 295.452 3.587 20 0 CHADMN Fc1ccc([C@H](NCCC2CCCC2)c2cnccn2)cc1 ZINC000541566441 1128027198 /nfs/dbraw/zinc/02/71/98/1128027198.db2.gz SWHAUMOLBBDJDF-SFHVURJKSA-N 0 1 299.393 3.875 20 0 CHADMN Cc1ccc([C@@H](NCc2cccn2C)C2CCC2)o1 ZINC000541732307 1128036025 /nfs/dbraw/zinc/03/60/25/1128036025.db2.gz KINPPIRYPJHCKO-INIZCTEOSA-N 0 1 258.365 3.558 20 0 CHADMN Cc1nnc([C@H](C)N[C@H](C)CCSc2ccccc2)o1 ZINC000541684871 1128033344 /nfs/dbraw/zinc/03/33/44/1128033344.db2.gz HXQIJWFGAAPOBY-NEPJUHHUSA-N 0 1 291.420 3.600 20 0 CHADMN C[C@@H]1CN(CCc2ccccc2F)C[C@H](c2ccccc2)O1 ZINC000469184956 1128037391 /nfs/dbraw/zinc/03/73/91/1128037391.db2.gz XQDDRUHIMPDHGF-DNVCBOLYSA-N 0 1 299.389 3.830 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)N[C@@H](C)c1ccon1 ZINC000541771427 1128038250 /nfs/dbraw/zinc/03/82/50/1128038250.db2.gz IGGMXDNSLFICDT-MNOVXSKESA-N 0 1 264.756 3.610 20 0 CHADMN CC(C)CO[C@@H]1CCN(C/C=C/c2ccc(F)cc2F)C1 ZINC000541772276 1128038351 /nfs/dbraw/zinc/03/83/51/1128038351.db2.gz YRGOIJZIVBHKRO-QDLOVBKTSA-N 0 1 295.373 3.725 20 0 CHADMN CO[C@H]1CCN(Cc2nc(C)c(C(C)(C)C)s2)[C@H](C)C1 ZINC000930321963 1128049601 /nfs/dbraw/zinc/04/96/01/1128049601.db2.gz AVZHDWNRDCEULC-YPMHNXCESA-N 0 1 296.480 3.748 20 0 CHADMN Cc1c(Cl)cnn1CN1CCC[C@@H]1Cc1ccccc1 ZINC000753788589 1128044319 /nfs/dbraw/zinc/04/43/19/1128044319.db2.gz DVTUWTYITQNXKA-OAHLLOKOSA-N 0 1 289.810 3.510 20 0 CHADMN CCCCOCCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469472830 1128044433 /nfs/dbraw/zinc/04/44/33/1128044433.db2.gz QTCXLJXSCCSQDE-CYBMUJFWSA-N 0 1 283.362 3.571 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@]3(CC[C@@H](C)C3)C2)n1 ZINC000541948379 1128044553 /nfs/dbraw/zinc/04/45/53/1128044553.db2.gz HDJAQMWNRADNIP-KEYYUXOJSA-N 0 1 291.439 3.985 20 0 CHADMN C[C@H]1CC[C@@]2(CC[N@@H+](Cc3nc4cc(F)ccc4o3)C2)C1 ZINC000541955025 1128044879 /nfs/dbraw/zinc/04/48/79/1128044879.db2.gz SVVMJAWNCFMSHW-YVEFUNNKSA-N 0 1 288.366 3.979 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(CCC(F)(F)F)[C@H]2C ZINC000541949554 1128045255 /nfs/dbraw/zinc/04/52/55/1128045255.db2.gz WDBIRJYYAXJDKM-QWRGUYRKSA-N 0 1 287.325 3.955 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H](c3ccccn3)C2)c1F ZINC000930316171 1128045742 /nfs/dbraw/zinc/04/57/42/1128045742.db2.gz SDYFBKRGXVKTOH-ZDUSSCGKSA-N 0 1 288.341 3.658 20 0 CHADMN CCN(Cc1ccc2ccccc2c1)[C@H](C(=O)OC)C1CC1 ZINC000541985226 1128046133 /nfs/dbraw/zinc/04/61/33/1128046133.db2.gz XMQMDUGUDRAFRW-SFHVURJKSA-N 0 1 297.398 3.613 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(F)cn2)cc(C)c1F ZINC000469782651 1128053421 /nfs/dbraw/zinc/05/34/21/1128053421.db2.gz DZUOBUMRBVXZAN-GFCCVEGCSA-N 0 1 276.330 3.827 20 0 CHADMN C[C@@H](c1cn(-c2ccccc2)nn1)N(C)C[C@H]1CC=CCC1 ZINC000542249649 1128058588 /nfs/dbraw/zinc/05/85/88/1128058588.db2.gz VUUIHQYVXSWMHO-HOTGVXAUSA-N 0 1 296.418 3.616 20 0 CHADMN C[C@H](c1cn(-c2ccccc2)nn1)N(C)C[C@@H]1CC=CCC1 ZINC000542249650 1128058988 /nfs/dbraw/zinc/05/89/88/1128058988.db2.gz VUUIHQYVXSWMHO-HZPDHXFCSA-N 0 1 296.418 3.616 20 0 CHADMN CC[C@@H]1CN(C[C@@H](OC)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000669929822 1128059909 /nfs/dbraw/zinc/05/99/09/1128059909.db2.gz KDTGFVPAQCLZPA-DAXOMENPSA-N 0 1 297.826 3.527 20 0 CHADMN CO[C@@H](C[N@@H+](C)CCOC(C)(C)C)c1ccc(Cl)cc1 ZINC000669931184 1128065354 /nfs/dbraw/zinc/06/53/54/1128065354.db2.gz UVCPYIAIKUCOIY-HNNXBMFYSA-N 0 1 299.842 3.774 20 0 CHADMN CCCCCN1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000470211682 1128066025 /nfs/dbraw/zinc/06/60/25/1128066025.db2.gz KVJPHLFNESQRNJ-TZMCWYRMSA-N 0 1 253.411 3.700 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCN1CCC(=O)c1ccccc1 ZINC000470939246 1128082691 /nfs/dbraw/zinc/08/26/91/1128082691.db2.gz DBJQQJARFQKJRF-DGCLKSJQSA-N 0 1 285.309 3.532 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1C[C@@H](C)CC[C@H]1C ZINC000174470627 1128102506 /nfs/dbraw/zinc/10/25/06/1128102506.db2.gz SDXZHXYDDIYHTR-LSDHHAIUSA-N 0 1 288.435 3.869 20 0 CHADMN CCCCCN[C@H](c1ccccn1)c1ccccc1OC ZINC000924540180 1128103105 /nfs/dbraw/zinc/10/31/05/1128103105.db2.gz CNDJOGLEZMCSQV-SFHVURJKSA-N 0 1 284.403 3.959 20 0 CHADMN C[C@H](NCc1ccns1)c1ccc2c(c1)CCCC2 ZINC000404441237 1128108026 /nfs/dbraw/zinc/10/80/26/1128108026.db2.gz HMUDSUXAVXAAOT-LBPRGKRZSA-N 0 1 272.417 3.873 20 0 CHADMN COc1ccnc([C@H](C)N[C@H](c2cccs2)C2CC2)c1 ZINC000924593710 1128106279 /nfs/dbraw/zinc/10/62/79/1128106279.db2.gz XYKBGHGXNXQXDD-ZBEGNZNMSA-N 0 1 288.416 3.954 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2cc(O)cc(F)c2)c1 ZINC000924597719 1128106385 /nfs/dbraw/zinc/10/63/85/1128106385.db2.gz SLOVMQFGPHVHBQ-LBPRGKRZSA-N 0 1 259.324 3.691 20 0 CHADMN Cc1cccc(CN[C@H](C)c2ccnn2CC2CCC2)c1 ZINC000924598395 1128106910 /nfs/dbraw/zinc/10/69/10/1128106910.db2.gz XRVUFLCLPVJKNU-OAHLLOKOSA-N 0 1 283.419 3.842 20 0 CHADMN C[C@@H](NCc1cccc(F)c1)c1cnn(C2CCC2)c1 ZINC000924610912 1128107366 /nfs/dbraw/zinc/10/73/66/1128107366.db2.gz WHRULLYMNLCXCU-GFCCVEGCSA-N 0 1 273.355 3.598 20 0 CHADMN COCc1ccccc1CN[C@H](C)c1cc(O)cc(F)c1 ZINC000924602193 1128107455 /nfs/dbraw/zinc/10/74/55/1128107455.db2.gz WKCOKAFOUFDRCZ-GFCCVEGCSA-N 0 1 289.350 3.529 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2cn3c(n2)CCCC3)s1 ZINC000924670461 1128108935 /nfs/dbraw/zinc/10/89/35/1128108935.db2.gz FZKSPXKXNWTJLZ-LBPRGKRZSA-N 0 1 289.448 3.694 20 0 CHADMN COc1ccnc([C@H](C)N[C@H](C)c2ccc(C)cc2)c1 ZINC000924715440 1128110813 /nfs/dbraw/zinc/11/08/13/1128110813.db2.gz VBPXDSHROYFTQB-KGLIPLIRSA-N 0 1 270.376 3.810 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnnn1C)c1ccc(C(C)(C)C)cc1 ZINC000924710555 1128110929 /nfs/dbraw/zinc/11/09/29/1128110929.db2.gz LVLMXORHNBWGEQ-OLZOCXBDSA-N 0 1 286.423 3.524 20 0 CHADMN COc1cc(CN[C@H](C)c2cnn(C3CCC3)c2)ccc1C ZINC000924833060 1128114583 /nfs/dbraw/zinc/11/45/83/1128114583.db2.gz XEBJWZXBJWYOJB-CQSZACIVSA-N 0 1 299.418 3.776 20 0 CHADMN Cc1occc1CN[C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924828145 1128114690 /nfs/dbraw/zinc/11/46/90/1128114690.db2.gz XQLNHLXMRCOLSP-LBPRGKRZSA-N 0 1 273.376 3.666 20 0 CHADMN C[C@@H](NCCCCOc1ccc(Cl)cc1)c1ncco1 ZINC000924830846 1128114789 /nfs/dbraw/zinc/11/47/89/1128114789.db2.gz FOVMXTOKYWCZEK-GFCCVEGCSA-N 0 1 294.782 3.838 20 0 CHADMN C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1cn(C)cn1 ZINC000924945216 1128117401 /nfs/dbraw/zinc/11/74/01/1128117401.db2.gz DFENIYAONSUFBV-SJKOYZFVSA-N 0 1 287.382 3.751 20 0 CHADMN Cc1ccccc1[C@H](N[C@H](C)c1cn(C)cn1)C(C)C ZINC000925046161 1128120076 /nfs/dbraw/zinc/12/00/76/1128120076.db2.gz TWKNCTCWPHFLLI-RHSMWYFYSA-N 0 1 271.408 3.776 20 0 CHADMN CCc1ccccc1CN[C@@H](C)c1cn2c(n1)CCCC2 ZINC000925110895 1128122320 /nfs/dbraw/zinc/12/23/20/1128122320.db2.gz DNEGJDRSMRPAIM-AWEZNQCLSA-N 0 1 283.419 3.633 20 0 CHADMN COc1cc([C@@H](C)NC[C@@H](C)Sc2ccccc2)on1 ZINC000925164887 1128124542 /nfs/dbraw/zinc/12/45/42/1128124542.db2.gz XLQMDIMOHQDKCN-VXGBXAGGSA-N 0 1 292.404 3.515 20 0 CHADMN Cc1cnc(=S)n(CN2CCC(C)(C(C)C)CC2)c1 ZINC000777560395 1128129576 /nfs/dbraw/zinc/12/95/76/1128129576.db2.gz MHMLSACCVXDVSA-UHFFFAOYSA-N 0 1 279.453 3.637 20 0 CHADMN C[C@@H](c1ccccc1)N(Cc1ccccc1)CC1OCCO1 ZINC000777561083 1128128712 /nfs/dbraw/zinc/12/87/12/1128128712.db2.gz ABDGJTPNWHLWIM-INIZCTEOSA-N 0 1 297.398 3.623 20 0 CHADMN COc1ccccc1[C@@H](NCC1(C)CCC1)c1ccccn1 ZINC000925498345 1128130508 /nfs/dbraw/zinc/13/05/08/1128130508.db2.gz OQQHXDXYHIUIFK-GOSISDBHSA-N 0 1 296.414 3.959 20 0 CHADMN C[C@H](Cc1cccc(F)c1)NCc1c(F)ccc(F)c1F ZINC001168453222 1128130984 /nfs/dbraw/zinc/13/09/84/1128130984.db2.gz AZDZURNYEJZBMW-SNVBAGLBSA-N 0 1 297.295 3.964 20 0 CHADMN C[C@@H](N[C@@H](c1cccnc1)C1CC1)c1cccc2c1OCO2 ZINC000925641164 1128135349 /nfs/dbraw/zinc/13/53/49/1128135349.db2.gz AVMQLICRHYULIN-SJKOYZFVSA-N 0 1 296.370 3.612 20 0 CHADMN COc1cc(C)cc(CN[C@@H](C)c2ccnn2C2CCC2)c1 ZINC000925603085 1128133624 /nfs/dbraw/zinc/13/36/24/1128133624.db2.gz HFIZCHKLILIESU-AWEZNQCLSA-N 0 1 299.418 3.776 20 0 CHADMN CC(C)c1ccc([C@H](N[C@@H]2CCOC2)c2cccnc2)cc1 ZINC000925617022 1128134400 /nfs/dbraw/zinc/13/44/00/1128134400.db2.gz PFDZYAHIBOUPDX-MOPGFXCFSA-N 0 1 296.414 3.673 20 0 CHADMN CCN(c1ccc(N[C@@H](C)c2nonc2C)cc1)C(C)C ZINC000925731322 1128139079 /nfs/dbraw/zinc/13/90/79/1128139079.db2.gz AILPGVODZYEPEM-LBPRGKRZSA-N 0 1 288.395 3.786 20 0 CHADMN CCOc1nnc(CN[C@@H]2CCC[C@H]2CCC(C)C)s1 ZINC000493383606 1128139947 /nfs/dbraw/zinc/13/99/47/1128139947.db2.gz KJXOKRCNIIJXKS-QWHCGFSZSA-N 0 1 297.468 3.631 20 0 CHADMN C[C@H](NC1(C2CC2)CC1)c1nc(Br)ccc1F ZINC000925895779 1128145231 /nfs/dbraw/zinc/14/52/31/1128145231.db2.gz BMJDYWZISHJKOC-QMMMGPOBSA-N 0 1 299.187 3.576 20 0 CHADMN C[C@H](NC1(c2ccccc2)CCC1)c1ccns1 ZINC000925781704 1128142650 /nfs/dbraw/zinc/14/26/50/1128142650.db2.gz ZTDVOUKFQABOKS-LBPRGKRZSA-N 0 1 258.390 3.873 20 0 CHADMN COc1cc(C)nc(CN[C@@H](C)c2cc(C)sc2C)c1 ZINC000214049089 1128158542 /nfs/dbraw/zinc/15/85/42/1128158542.db2.gz KIZARKYYIGCSMT-LBPRGKRZSA-N 0 1 290.432 3.928 20 0 CHADMN COc1ccnc([C@@H](C)N[C@H]2CCCc3sccc32)c1 ZINC000926189504 1128158774 /nfs/dbraw/zinc/15/87/74/1128158774.db2.gz LQRVMPJSYSMCPH-RISCZKNCSA-N 0 1 288.416 3.880 20 0 CHADMN CSCc1cccc(CN[C@H](C)c2ccns2)c1 ZINC000926233380 1128162406 /nfs/dbraw/zinc/16/24/06/1128162406.db2.gz BAZFAUBAOQZLGM-LLVKDONJSA-N 0 1 278.446 3.857 20 0 CHADMN CCC[C@H](NCCOC(F)(F)F)c1ncccc1Cl ZINC000926261540 1128164054 /nfs/dbraw/zinc/16/40/54/1128164054.db2.gz WGNAFIPLOVYQKJ-JTQLQIEISA-N 0 1 296.720 3.702 20 0 CHADMN COc1cc(Cl)c(CN2CCC(C)CC2)cc1OC ZINC001205101551 1128165781 /nfs/dbraw/zinc/16/57/81/1128165781.db2.gz SLPRVRIXFUJYRP-UHFFFAOYSA-N 0 1 283.799 3.589 20 0 CHADMN C[C@H](N[C@]1(C)CCO[C@H]1C)c1ncc(-c2ccccc2)o1 ZINC000494251821 1128167030 /nfs/dbraw/zinc/16/70/30/1128167030.db2.gz SZNRDYYGAXJDON-GDZNZVCISA-N 0 1 286.375 3.560 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H](c2cccc(F)c2)C1)c1ncco1 ZINC000926340506 1128168081 /nfs/dbraw/zinc/16/80/81/1128168081.db2.gz JJWZYUCRKCSEMS-LNSITVRQSA-N 0 1 274.339 3.801 20 0 CHADMN C/C(=C\c1ccccc1)C[N@@H+](C)CCc1c(C)noc1C ZINC000494269434 1128168735 /nfs/dbraw/zinc/16/87/35/1128168735.db2.gz YDGIFUQMESRFRP-WYMLVPIESA-N 0 1 284.403 3.869 20 0 CHADMN CSc1ccc([C@H](C)N[C@@H](C)c2ccnnc2)cc1 ZINC000926353352 1128168846 /nfs/dbraw/zinc/16/88/46/1128168846.db2.gz SHXWJFRPKBTAKM-RYUDHWBXSA-N 0 1 273.405 3.610 20 0 CHADMN C[C@H](NC1CC2(C1)CCCC2)c1c(F)cncc1F ZINC000926419368 1128171072 /nfs/dbraw/zinc/17/10/72/1128171072.db2.gz SZIUHZONFSSZIV-JTQLQIEISA-N 0 1 266.335 3.733 20 0 CHADMN C[C@@H](N[C@@H](C)C1(Cl)CC1)c1nccn1-c1ccccc1 ZINC000926427827 1128171792 /nfs/dbraw/zinc/17/17/92/1128171792.db2.gz LOTOGAWCTMGFSZ-OLZOCXBDSA-N 0 1 289.810 3.683 20 0 CHADMN COCc1nc(CN[C@@H]2C[C@H](C)CCC2=C(C)C)cs1 ZINC000926449837 1128172571 /nfs/dbraw/zinc/17/25/71/1128172571.db2.gz INIUELYXKIBIAH-IUODEOHRSA-N 0 1 294.464 3.904 20 0 CHADMN C[C@H](NC[C@@H]1CCCCC(F)(F)C1)c1ncco1 ZINC000926469476 1128173427 /nfs/dbraw/zinc/17/34/27/1128173427.db2.gz MJVVMXDRIPVHLL-WDEREUQCSA-N 0 1 258.312 3.541 20 0 CHADMN Cc1nnsc1CN[C@H](C)c1c(C)oc2ccccc21 ZINC000926473804 1128174112 /nfs/dbraw/zinc/17/41/12/1128174112.db2.gz KWCQIYGTJFCXKQ-SNVBAGLBSA-N 0 1 287.388 3.752 20 0 CHADMN C[C@@H](N[C@H]1CCSc2ccc(Cl)cc21)c1cn[nH]c1 ZINC000222506259 1128178379 /nfs/dbraw/zinc/17/83/79/1128178379.db2.gz PXFFICIYHUUROM-RNCFNFMXSA-N 0 1 293.823 3.951 20 0 CHADMN Cc1ccncc1CN[C@H]1CCCc2c(Cl)ccnc21 ZINC000926527419 1128178399 /nfs/dbraw/zinc/17/83/99/1128178399.db2.gz XVKFNRGUAFWQSG-HNNXBMFYSA-N 0 1 287.794 3.606 20 0 CHADMN Cc1cccc([C@H](NC[C@H]2CC[C@@H](C)O2)c2ccccn2)c1 ZINC000926558277 1128180785 /nfs/dbraw/zinc/18/07/85/1128180785.db2.gz CSCYISFXSAYTIT-SUMDDJOVSA-N 0 1 296.414 3.637 20 0 CHADMN CCC[C@H](NC[C@@H]1CC[C@H](C)O1)c1ncccc1Cl ZINC000926560717 1128180805 /nfs/dbraw/zinc/18/08/05/1128180805.db2.gz VSHSQRLNJFDDDH-OBJOEFQTSA-N 0 1 282.815 3.733 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(C(C)(C)O)cc2)nc1C ZINC000926567364 1128181343 /nfs/dbraw/zinc/18/13/43/1128181343.db2.gz FISJUFVDHYGDKK-HNNXBMFYSA-N 0 1 298.430 3.777 20 0 CHADMN Cc1ccsc1[C@@H](CO)NCc1ccccc1Cl ZINC000494625908 1128183825 /nfs/dbraw/zinc/18/38/25/1128183825.db2.gz MLMBYMWOIFULFS-CYBMUJFWSA-N 0 1 281.808 3.533 20 0 CHADMN COc1ccccc1[C@H](N[C@@H]1C[C@H]2C[C@H]2C1)c1ccccn1 ZINC000926618098 1128184052 /nfs/dbraw/zinc/18/40/52/1128184052.db2.gz YKKUJBBYWPGUNP-YGTYGHESSA-N 0 1 294.398 3.568 20 0 CHADMN COc1cc([C@@H](C)NCc2cccc3ccsc32)on1 ZINC000926643392 1128185436 /nfs/dbraw/zinc/18/54/36/1128185436.db2.gz RTYUDMAFILOVPK-SNVBAGLBSA-N 0 1 288.372 3.749 20 0 CHADMN CCC[C@H](C)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000192773769 1128188576 /nfs/dbraw/zinc/18/85/76/1128188576.db2.gz GMFQLCPJJNKJRE-ZDUSSCGKSA-N 0 1 257.381 3.697 20 0 CHADMN COc1cccc(C2(N[C@@H](C)c3ccns3)CCC2)c1 ZINC000926724815 1128190413 /nfs/dbraw/zinc/19/04/13/1128190413.db2.gz NGALWOFYDXCQBG-LBPRGKRZSA-N 0 1 288.416 3.882 20 0 CHADMN CC(C)n1cc(CN[C@H]2CCSc3ccccc32)cn1 ZINC000226239040 1128191851 /nfs/dbraw/zinc/19/18/51/1128191851.db2.gz BVPOAJJXHGCFRB-HNNXBMFYSA-N 0 1 287.432 3.791 20 0 CHADMN CC[C@@H](N[C@H](C)c1cn(C)cn1)c1cc(C)ccc1C ZINC000926768341 1128192707 /nfs/dbraw/zinc/19/27/07/1128192707.db2.gz SWAPMGSURNCBDH-GDBMZVCRSA-N 0 1 271.408 3.839 20 0 CHADMN C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1cc(-c2ccccc2)no1 ZINC000926767326 1128193063 /nfs/dbraw/zinc/19/30/63/1128193063.db2.gz JPXGWXIPVGEAQL-XLWVJDPXSA-N 0 1 298.386 3.560 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@@H]1c1ccccc1)c1ncco1 ZINC000926777578 1128193759 /nfs/dbraw/zinc/19/37/59/1128193759.db2.gz GESUFJLHKUAFJL-BPLDGKMQSA-N 0 1 256.349 3.662 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2cc(O)cc(F)c2)s1 ZINC000926785137 1128194180 /nfs/dbraw/zinc/19/41/80/1128194180.db2.gz JPWNFBRKEVILEQ-BDAKNGLRSA-N 0 1 280.368 3.708 20 0 CHADMN CCCC(CCC)N[C@@H](C(=O)OCC)[C@@H](C)CC ZINC001257333399 1128245056 /nfs/dbraw/zinc/24/50/56/1128245056.db2.gz OIZWFYHUHQMQMP-GXTWGEPZSA-N 0 1 257.418 3.523 20 0 CHADMN COC(=O)c1ccc([C@H](C)N2Cc3ccccc3[C@@H](C)C2)o1 ZINC000914787655 1128245304 /nfs/dbraw/zinc/24/53/04/1128245304.db2.gz AWMKQPAOVCNWKA-STQMWFEESA-N 0 1 299.370 3.747 20 0 CHADMN CC[C@@]1(O)CCN([C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000495227545 1128246891 /nfs/dbraw/zinc/24/68/91/1128246891.db2.gz YAUSERGVTSARKQ-QMTHXVAHSA-N 0 1 288.218 3.901 20 0 CHADMN Cc1ccncc1[C@H](C)Nc1ccc(CN(C)C)c(F)c1 ZINC000777699344 1128246927 /nfs/dbraw/zinc/24/69/27/1128246927.db2.gz AURVHJSSJTZGAY-ZDUSSCGKSA-N 0 1 287.382 3.764 20 0 CHADMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)c1nccs1 ZINC000777703699 1128247190 /nfs/dbraw/zinc/24/71/90/1128247190.db2.gz YECKXAVVFGMULT-JTQLQIEISA-N 0 1 279.384 3.517 20 0 CHADMN CC[C@@]1(O)CCN([C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000495226931 1128247387 /nfs/dbraw/zinc/24/73/87/1128247387.db2.gz VWKIHSZFJHBYIT-QMTHXVAHSA-N 0 1 288.218 3.901 20 0 CHADMN Cc1noc(C(C)C)c1NC(=O)c1cc(C)cc2cn[nH]c21 ZINC000928786768 1128250056 /nfs/dbraw/zinc/25/00/56/1128250056.db2.gz FJNQRNSYVXEJLG-UHFFFAOYSA-N 0 1 298.346 3.543 20 0 CHADMN C[C@@H](NC[C@H](O)c1ccccc1)c1nc2ccccc2s1 ZINC000035114546 1128257084 /nfs/dbraw/zinc/25/70/84/1128257084.db2.gz CDPPFADKFJMJMH-DOMZBBRYSA-N 0 1 298.411 3.681 20 0 CHADMN CCc1onc(C)c1CN1Cc2ccccc2[C@H](C)C1 ZINC000929220143 1128264765 /nfs/dbraw/zinc/26/47/65/1128264765.db2.gz VDQKVEVWSZYTQQ-GFCCVEGCSA-N 0 1 270.376 3.665 20 0 CHADMN CCc1onc(C)c1CN1Cc2ccccc2[C@@H](C)C1 ZINC000929220144 1128264816 /nfs/dbraw/zinc/26/48/16/1128264816.db2.gz VDQKVEVWSZYTQQ-LBPRGKRZSA-N 0 1 270.376 3.665 20 0 CHADMN C[C@H](N[C@H]1CCc2cccc3cccc1c32)c1cn(C)cn1 ZINC000926879844 1128199928 /nfs/dbraw/zinc/19/99/28/1128199928.db2.gz MADGVIWHAZSKRX-GUYCJALGSA-N 0 1 291.398 3.911 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cncnc2C)cc1C ZINC000926903121 1128201596 /nfs/dbraw/zinc/20/15/96/1128201596.db2.gz RWVRXFDNYSMDMI-JSGCOSHPSA-N 0 1 285.391 3.514 20 0 CHADMN CCSc1ccccc1CCN[C@H](C)c1ncco1 ZINC000926922169 1128203482 /nfs/dbraw/zinc/20/34/82/1128203482.db2.gz ZUWUWHKCVQYXQE-GFCCVEGCSA-N 0 1 276.405 3.680 20 0 CHADMN CC1CCN(CC(=O)N(C)c2ccc3ccccc3c2)CC1 ZINC000761755249 1128204661 /nfs/dbraw/zinc/20/46/61/1128204661.db2.gz UNGMHZBZSYYLBH-UHFFFAOYSA-N 0 1 296.414 3.535 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cncnc1C)c1ccccc1F ZINC000655783323 1128205595 /nfs/dbraw/zinc/20/55/95/1128205595.db2.gz BWDDLMXDXQSVDF-BLLLJJGKSA-N 0 1 273.355 3.726 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)NCc2ncc(C)cc2C)c1 ZINC000926954078 1128206155 /nfs/dbraw/zinc/20/61/55/1128206155.db2.gz HQASNCGRFVRUAZ-CQSZACIVSA-N 0 1 297.402 3.508 20 0 CHADMN CC(C)c1ccc(CN2CC[C@](F)(CO)C2)c(C(C)C)c1 ZINC000670113261 1128206340 /nfs/dbraw/zinc/20/63/40/1128206340.db2.gz MVCVUUDQJQQMDX-GOSISDBHSA-N 0 1 293.426 3.840 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H]2CCCC3(CCC3)O2)cs1 ZINC000927013401 1128208228 /nfs/dbraw/zinc/20/82/28/1128208228.db2.gz WVVKDSJWAQTBQL-YPMHNXCESA-N 0 1 280.437 3.594 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H]2CCCC3(CCC3)O2)c(C)s1 ZINC000927019015 1128208292 /nfs/dbraw/zinc/20/82/92/1128208292.db2.gz QOIQHMDVNBFBKR-RISCZKNCSA-N 0 1 294.464 3.902 20 0 CHADMN CCn1cccc1CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000494918980 1128211118 /nfs/dbraw/zinc/21/11/18/1128211118.db2.gz BIIIQGQNBHAVFO-GFCCVEGCSA-N 0 1 278.346 3.979 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2cccnc21)c1ccnc(Cl)c1 ZINC000927059929 1128212669 /nfs/dbraw/zinc/21/26/69/1128212669.db2.gz PQEZGZLWASKSTP-BXUZGUMPSA-N 0 1 287.794 3.858 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@H]1CCCc3cccnc31)CC2 ZINC000927063038 1128213498 /nfs/dbraw/zinc/21/34/98/1128213498.db2.gz RLTMDGNVMYPUKI-ROUUACIJSA-N 0 1 294.398 3.745 20 0 CHADMN COc1ccc([C@@H](N[C@@H](C)c2ncc[nH]2)C2CCC2)cc1 ZINC000927064602 1128213916 /nfs/dbraw/zinc/21/39/16/1128213916.db2.gz RLDAWYVZUJFXOQ-LRDDRELGSA-N 0 1 285.391 3.610 20 0 CHADMN Cc1ccc([C@H](NCc2cc(C3CC3)n(C)n2)C2CC2)cc1 ZINC000927113120 1128218686 /nfs/dbraw/zinc/21/86/86/1128218686.db2.gz WPUGRHREPYSWKD-IBGZPJMESA-N 0 1 295.430 3.847 20 0 CHADMN CCc1onc(C)c1CN1CCC[C@H]1c1ccsc1 ZINC000929264808 1128266589 /nfs/dbraw/zinc/26/65/89/1128266589.db2.gz ZVKIUAPKLAHGEP-AWEZNQCLSA-N 0 1 276.405 3.944 20 0 CHADMN C[C@@H]1C[C@H](Nc2ccc(Cl)c(CN(C)C)c2)[C@@H]1C ZINC000494979443 1128219114 /nfs/dbraw/zinc/21/91/14/1128219114.db2.gz XWIKUIICDMKKMY-HFAKWTLXSA-N 0 1 266.816 3.858 20 0 CHADMN CCc1onc(C)c1CN[C@H]1C[C@@H](C)c2ccccc21 ZINC000927135376 1128221538 /nfs/dbraw/zinc/22/15/38/1128221538.db2.gz RWQWKMWRHMCOJT-BZNIZROVSA-N 0 1 270.376 3.884 20 0 CHADMN CCc1onc(C)c1CN[C@@H]1CCCc2sccc21 ZINC000927140408 1128222180 /nfs/dbraw/zinc/22/21/80/1128222180.db2.gz ODRWAZHXIPPIRG-CYBMUJFWSA-N 0 1 276.405 3.774 20 0 CHADMN C[N@H+](Cc1c(F)cccc1Cl)C[C@H]1CCSC1 ZINC000495063992 1128226968 /nfs/dbraw/zinc/22/69/68/1128226968.db2.gz HVXXFYYXYRFAOX-SNVBAGLBSA-N 0 1 273.804 3.664 20 0 CHADMN CN(Cc1c(F)cccc1Cl)C[C@H]1CCSC1 ZINC000495063992 1128226970 /nfs/dbraw/zinc/22/69/70/1128226970.db2.gz HVXXFYYXYRFAOX-SNVBAGLBSA-N 0 1 273.804 3.664 20 0 CHADMN CCC[C@@H](C)N1CC2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001257325827 1128235673 /nfs/dbraw/zinc/23/56/73/1128235673.db2.gz OORLSEPXRJIGPZ-CQSZACIVSA-N 0 1 296.455 3.650 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccccc2C)c(C)nn1 ZINC000929326341 1128269835 /nfs/dbraw/zinc/26/98/35/1128269835.db2.gz RCTOAMUANQEHJP-HNNXBMFYSA-N 0 1 269.392 3.595 20 0 CHADMN Cc1nc(C)c(CN(C)[C@H](C)c2ccc(C)cc2C)[nH]1 ZINC000929325620 1128270420 /nfs/dbraw/zinc/27/04/20/1128270420.db2.gz KMOPMPGEWUTDQC-CQSZACIVSA-N 0 1 271.408 3.836 20 0 CHADMN CCN(Cc1[nH]c(C)nc1C)Cc1ccc(Cl)cc1 ZINC000929379496 1128271559 /nfs/dbraw/zinc/27/15/59/1128271559.db2.gz LXDREIJJJJJEFP-UHFFFAOYSA-N 0 1 277.799 3.702 20 0 CHADMN CCCN(Cc1ccc(F)cc1)Cc1cc(C)nnc1C ZINC000929381867 1128272262 /nfs/dbraw/zinc/27/22/62/1128272262.db2.gz RUNUGXFPWYBZTA-UHFFFAOYSA-N 0 1 287.382 3.645 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NC/C=C/c1ccccc1)CO2 ZINC000495368508 1128275287 /nfs/dbraw/zinc/27/52/87/1128275287.db2.gz HPZLFYGBAYOVJH-RRGWEWPQSA-N 0 1 269.319 3.562 20 0 CHADMN C[C@H](c1ncccn1)N1CCC[C@H](c2ccccc2)CC1 ZINC000929488288 1128275478 /nfs/dbraw/zinc/27/54/78/1128275478.db2.gz AZQHCRLTLHJNGX-WBVHZDCISA-N 0 1 281.403 3.807 20 0 CHADMN CCN(Cc1ccoc1)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929477872 1128275550 /nfs/dbraw/zinc/27/55/50/1128275550.db2.gz JHKZKURZPMIMEK-OLZOCXBDSA-N 0 1 291.313 3.602 20 0 CHADMN CCCCCCNC(=O)CN(CC)Cc1ccccc1C ZINC000915058316 1128278209 /nfs/dbraw/zinc/27/82/09/1128278209.db2.gz PTNCAHXCUBLHGG-UHFFFAOYSA-N 0 1 290.451 3.513 20 0 CHADMN COc1ccccc1[C@H]1CCCCN1Cc1[nH]c(C)nc1C ZINC000929587740 1128278226 /nfs/dbraw/zinc/27/82/26/1128278226.db2.gz SENSVJMTMHUIEA-QGZVFWFLSA-N 0 1 299.418 3.762 20 0 CHADMN CCc1onc(C)c1CN1CCCc2sccc2C1 ZINC000929597902 1128278797 /nfs/dbraw/zinc/27/87/97/1128278797.db2.gz KRVNCTIAJMUHNT-UHFFFAOYSA-N 0 1 276.405 3.555 20 0 CHADMN C[C@@H](c1ncccn1)N1CCCC2(CCCCC2)C1 ZINC000929623155 1128279301 /nfs/dbraw/zinc/27/93/01/1128279301.db2.gz HIPNSJXAZGDTDB-AWEZNQCLSA-N 0 1 259.397 3.584 20 0 CHADMN C[C@@H](c1ncccn1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000929730319 1128284094 /nfs/dbraw/zinc/28/40/94/1128284094.db2.gz AZKBVTMTVYPGHQ-LSDHHAIUSA-N 0 1 299.443 3.652 20 0 CHADMN Cc1ccc(C(C)(C)CN(C)[C@@H](C)c2ncccn2)cc1 ZINC000929721668 1128284306 /nfs/dbraw/zinc/28/43/06/1128284306.db2.gz YLVAUUNENQWLDU-HNNXBMFYSA-N 0 1 283.419 3.756 20 0 CHADMN Cc1nc(C)c(CN2CC[C@@H](C)C[C@H]2c2ccco2)[nH]1 ZINC000929757234 1128285168 /nfs/dbraw/zinc/28/51/68/1128285168.db2.gz FTIGGLFMJABFIR-ABAIWWIYSA-N 0 1 273.380 3.593 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2[nH]c(C)nc2C)o1 ZINC000929760892 1128285341 /nfs/dbraw/zinc/28/53/41/1128285341.db2.gz YAFYZVAOBBNJBE-ZBEGNZNMSA-N 0 1 287.407 3.901 20 0 CHADMN CC(C)n1ccn(CN(C2CC2)C2CCCC2)c1=S ZINC000915208225 1128292004 /nfs/dbraw/zinc/29/20/04/1128292004.db2.gz BWPHNZRXMFCDNZ-UHFFFAOYSA-N 0 1 279.453 3.964 20 0 CHADMN CCc1onc(C)c1CN[C@]1(C)CCCc2ccccc21 ZINC000929970520 1128296658 /nfs/dbraw/zinc/29/66/58/1128296658.db2.gz CHXACNVQVSDUKD-GOSISDBHSA-N 0 1 284.403 3.887 20 0 CHADMN C[C@H](c1cccnc1)[N@@H+](C)C[C@H]1CCCC2(CCC2)O1 ZINC000930118414 1128301877 /nfs/dbraw/zinc/30/18/77/1128301877.db2.gz GKNPAHGSXMNVHH-GDBMZVCRSA-N 0 1 274.408 3.566 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(F)nc2)cc1F ZINC000930185532 1128304552 /nfs/dbraw/zinc/30/45/52/1128304552.db2.gz JHPPIKWDXWFDFP-MNOVXSKESA-N 0 1 292.329 3.780 20 0 CHADMN CCOc1ccccc1[C@H](CC)NCc1cc(C)nnc1C ZINC000930202901 1128307160 /nfs/dbraw/zinc/30/71/60/1128307160.db2.gz WBVIYCPFIYMBIT-KRWDZBQOSA-N 0 1 299.418 3.733 20 0 CHADMN Cc1cc(C)nc(CNC(C)(C)c2cccc(F)c2)c1 ZINC000930221190 1128308744 /nfs/dbraw/zinc/30/87/44/1128308744.db2.gz IVINJGBFIGCOAV-UHFFFAOYSA-N 0 1 272.367 3.862 20 0 CHADMN CCc1onc(C)c1CN1CCC(CC(F)(F)F)CC1 ZINC000930373079 1128316570 /nfs/dbraw/zinc/31/65/70/1128316570.db2.gz HJZIKMWALJLAJQ-UHFFFAOYSA-N 0 1 290.329 3.710 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)nc1)c1ccsc1 ZINC000930344984 1128314274 /nfs/dbraw/zinc/31/42/74/1128314274.db2.gz HKZFSIDNMQAEGA-NXEZZACHSA-N 0 1 250.342 3.694 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)[nH]1 ZINC000622121276 1129228333 /nfs/dbraw/zinc/22/83/33/1129228333.db2.gz WSENVWUVSGQLFE-UHFFFAOYSA-N 0 1 297.280 3.606 20 0 CHADMN Cc1nnsc1[C@@H](C)N1CCC(C)=C(c2ccco2)C1 ZINC000930352003 1128315736 /nfs/dbraw/zinc/31/57/36/1128315736.db2.gz WTNOVXKLWTYJDR-GFCCVEGCSA-N 0 1 289.404 3.680 20 0 CHADMN CCc1onc(C)c1CN(C)C(C)(C)c1ccccc1 ZINC000930369839 1128316132 /nfs/dbraw/zinc/31/61/32/1128316132.db2.gz AYRAALOODILVHX-UHFFFAOYSA-N 0 1 272.392 3.913 20 0 CHADMN CCc1cc(CN2CCC[C@@H]2c2cccc(OC)c2)on1 ZINC001203226938 1128317361 /nfs/dbraw/zinc/31/73/61/1128317361.db2.gz SUORDBBTKCQICT-QGZVFWFLSA-N 0 1 286.375 3.583 20 0 CHADMN CCC(C)(C)C1CCC(N2CCc3c(cnn3C)C2)CC1 ZINC001257407329 1128317561 /nfs/dbraw/zinc/31/75/61/1128317561.db2.gz DTUDJQRQIAKOJJ-UHFFFAOYSA-N 0 1 289.467 3.773 20 0 CHADMN O=C(OC/C(Cl)=C/Cl)c1ccc(O)c(Cl)c1 ZINC000762832909 1128319954 /nfs/dbraw/zinc/31/99/54/1128319954.db2.gz XCRABJBZIYHBEO-DAXSKMNVSA-N 0 1 281.522 3.521 20 0 CHADMN CC[C@H](c1cccc(OC)c1)N(C)Cc1cc(C)nnc1C ZINC000930496349 1128321123 /nfs/dbraw/zinc/32/11/23/1128321123.db2.gz MZEYAHRIZJDALB-GOSISDBHSA-N 0 1 299.418 3.685 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1ccc(Br)cc1N ZINC000094047198 1128322113 /nfs/dbraw/zinc/32/21/13/1128322113.db2.gz POZFIKDZJSIBCN-PHIMTYICSA-N 0 1 297.240 3.794 20 0 CHADMN CCN(Cc1coc(C(C)(C)C)n1)[C@@H]1CCOC(C)(C)C1 ZINC000930511951 1128322323 /nfs/dbraw/zinc/32/23/23/1128322323.db2.gz JTIMWZZZXDYXGM-CQSZACIVSA-N 0 1 294.439 3.752 20 0 CHADMN Cc1nc2c(n1C[C@@]1(C)CC1(Cl)Cl)CCCC2 ZINC001327181108 1128325353 /nfs/dbraw/zinc/32/53/53/1128325353.db2.gz CRMZNLKDRYYTSK-GFCCVEGCSA-N 0 1 273.207 3.654 20 0 CHADMN CS[C@@H]1CCN(Cc2nc(C)c(C(C)(C)C)s2)C1 ZINC000930608980 1128327278 /nfs/dbraw/zinc/32/72/78/1128327278.db2.gz AHXMIEXZUUAHOQ-LLVKDONJSA-N 0 1 284.494 3.686 20 0 CHADMN OCC[C@@H](NCc1ccccc1CF)c1ccccc1F ZINC000930823011 1128336537 /nfs/dbraw/zinc/33/65/37/1128336537.db2.gz ZNQKPGUJKBRIMT-QGZVFWFLSA-N 0 1 291.341 3.509 20 0 CHADMN CC(C)(C)N(Cc1ccsc1)Cc1ccc(Cl)nn1 ZINC000930924225 1128340210 /nfs/dbraw/zinc/34/02/10/1128340210.db2.gz SCHHWGDAULNULY-UHFFFAOYSA-N 0 1 295.839 3.992 20 0 CHADMN CCC1CCN(Cc2cccc(O)c2Cl)CC1 ZINC000393402687 1128340411 /nfs/dbraw/zinc/34/04/11/1128340411.db2.gz XQSJWNJWOXVQDW-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN CCC1CC[NH+](Cc2cccc([O-])c2Cl)CC1 ZINC000393402687 1128340416 /nfs/dbraw/zinc/34/04/16/1128340416.db2.gz XQSJWNJWOXVQDW-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN COC/C(C)=C\CN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000930964084 1128342443 /nfs/dbraw/zinc/34/24/43/1128342443.db2.gz ATQWMCKQEBJPMD-ACQAZONXSA-N 0 1 275.392 3.789 20 0 CHADMN C[C@H]1c2ccccc2C[C@H]1NCc1coc(C(C)(C)C)n1 ZINC000930968370 1128342577 /nfs/dbraw/zinc/34/25/77/1128342577.db2.gz ARARQFVFRUPPOU-BLLLJJGKSA-N 0 1 284.403 3.790 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CCC([C@@H]2CCCCO2)CC1 ZINC000931025752 1128344442 /nfs/dbraw/zinc/34/44/42/1128344442.db2.gz LBAHJTLWBWOBDT-CJNGLKHVSA-N 0 1 292.398 3.563 20 0 CHADMN FC(F)[C@H](NCCCc1cccnc1)C1CCCCC1 ZINC000931103079 1128347402 /nfs/dbraw/zinc/34/74/02/1128347402.db2.gz AYJHULNLRKLXON-OAHLLOKOSA-N 0 1 282.378 3.818 20 0 CHADMN Cc1nnsc1[C@@H](C)N[C@H](C)c1ccc(F)cc1C ZINC000932562212 1128414357 /nfs/dbraw/zinc/41/43/57/1128414357.db2.gz IREZHPLUJCKJEE-NXEZZACHSA-N 0 1 279.384 3.706 20 0 CHADMN COC/C(C)=C/CNC1(c2c(F)cccc2F)CCC1 ZINC000931338348 1128357136 /nfs/dbraw/zinc/35/71/36/1128357136.db2.gz QNXMGKNFBFHVCU-KPKJPENVSA-N 0 1 281.346 3.526 20 0 CHADMN CSc1ccc(CN2CCC(c3ncco3)CC2)cc1 ZINC000931449934 1128361664 /nfs/dbraw/zinc/36/16/64/1128361664.db2.gz JWTRQQACGSKANI-UHFFFAOYSA-N 0 1 288.416 3.776 20 0 CHADMN c1coc(C2CCN(Cc3ccccc3OC3CC3)CC2)n1 ZINC000931444124 1128361745 /nfs/dbraw/zinc/36/17/45/1128361745.db2.gz KSPQGOJYNKLGIG-UHFFFAOYSA-N 0 1 298.386 3.595 20 0 CHADMN CCOc1cccc(C(=O)Nc2ccc3nc(C)[nH]c3c2)c1 ZINC000054834313 1128364833 /nfs/dbraw/zinc/36/48/33/1128364833.db2.gz NXHSZHSGXNLNQH-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN Cc1nc(CN2CC[C@H](C(C)(C)C)C[C@H]2C)oc1C ZINC000561956275 1128365061 /nfs/dbraw/zinc/36/50/61/1128365061.db2.gz GGVGORNJFHEYKA-RISCZKNCSA-N 0 1 264.413 3.938 20 0 CHADMN O=C(c1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000055102176 1128366780 /nfs/dbraw/zinc/36/67/80/1128366780.db2.gz RMPGREFPFRFHNG-UHFFFAOYSA-N 0 1 297.373 3.921 20 0 CHADMN c1csc(-c2n[nH]cc2CN2CCCc3occc3C2)c1 ZINC000561986234 1128368746 /nfs/dbraw/zinc/36/87/46/1128368746.db2.gz GJSHAVLCCRJXPC-UHFFFAOYSA-N 0 1 299.399 3.680 20 0 CHADMN CO[C@@H](C)c1nc(CN(C)C[C@H](C)C(C)(C)C)cs1 ZINC000670265515 1128377190 /nfs/dbraw/zinc/37/71/90/1128377190.db2.gz WSLRBPVRDVAUJC-RYUDHWBXSA-N 0 1 284.469 3.965 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1Cc1nncs1 ZINC000931706012 1128378654 /nfs/dbraw/zinc/37/86/54/1128378654.db2.gz CJJSLQWUHCQPPH-TZMCWYRMSA-N 0 1 287.432 3.695 20 0 CHADMN CCCCCC[C@@H](CC)C(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000763224089 1128383004 /nfs/dbraw/zinc/38/30/04/1128383004.db2.gz SQUFAVAACNWENQ-QWHCGFSZSA-N 0 1 294.443 3.541 20 0 CHADMN C[C@@H]1CSC[C@H]1N[C@H](c1ccccc1)c1ccccn1 ZINC000397820479 1128384697 /nfs/dbraw/zinc/38/46/97/1128384697.db2.gz UGYWUFRTVKQACT-KBRIMQKVSA-N 0 1 284.428 3.512 20 0 CHADMN C[C@@H](c1cccnc1)[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931915228 1128387286 /nfs/dbraw/zinc/38/72/86/1128387286.db2.gz FPIVTFSRTWLZEN-JQWIXIFHSA-N 0 1 288.288 3.509 20 0 CHADMN C[C@@H](c1cccnc1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931915228 1128387291 /nfs/dbraw/zinc/38/72/91/1128387291.db2.gz FPIVTFSRTWLZEN-JQWIXIFHSA-N 0 1 288.288 3.509 20 0 CHADMN CCn1nnc(C)c1CN[C@@H](C)c1oc2ccccc2c1C ZINC000562655355 1128416634 /nfs/dbraw/zinc/41/66/34/1128416634.db2.gz ZECZAHAZUXIMKJ-ZDUSSCGKSA-N 0 1 298.390 3.512 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(C(=O)c1cccc(F)c1O)C1CC1 ZINC000932048637 1128393491 /nfs/dbraw/zinc/39/34/91/1128393491.db2.gz PFDMWWVBFPGMFH-GHMZBOCLSA-N 0 1 279.355 3.571 20 0 CHADMN Cc1noc([C@@H](C)NC2CCC(C)(c3ccccc3)CC2)n1 ZINC000562318068 1128394464 /nfs/dbraw/zinc/39/44/64/1128394464.db2.gz ONAIKXDNECVOCS-IMUUDWKMSA-N 0 1 299.418 3.929 20 0 CHADMN O=C(C=C1CCC1)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000153786739 1128396185 /nfs/dbraw/zinc/39/61/85/1128396185.db2.gz MSKHUFCVEVTEJB-UHFFFAOYSA-N 0 1 295.264 3.631 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)NCC3(C)CC3)n2)ccc1F ZINC000562366730 1128397704 /nfs/dbraw/zinc/39/77/04/1128397704.db2.gz VFZUIQBOMSLQQF-LLVKDONJSA-N 0 1 289.354 3.635 20 0 CHADMN Cc1cscc1-c1noc(-c2cc(-c3ccoc3)n[nH]2)n1 ZINC000562479851 1128404720 /nfs/dbraw/zinc/40/47/20/1128404720.db2.gz KNQBVSPMEUTWHO-UHFFFAOYSA-N 0 1 298.327 3.757 20 0 CHADMN C[C@H](c1ccccc1Cl)N1CCO[C@@H](C)CC1 ZINC000932351330 1128405542 /nfs/dbraw/zinc/40/55/42/1128405542.db2.gz UZOISTQGSPNXKC-NWDGAFQWSA-N 0 1 253.773 3.512 20 0 CHADMN COC(C)(C)[C@H](C)NCc1ncc(-c2ccccc2C)o1 ZINC000932368184 1128406095 /nfs/dbraw/zinc/40/60/95/1128406095.db2.gz DPVMPNRJGUMXTN-ZDUSSCGKSA-N 0 1 288.391 3.553 20 0 CHADMN Cc1cc(F)ccc1CN[C@@H](c1ccccn1)C1CC1 ZINC000932384714 1128406896 /nfs/dbraw/zinc/40/68/96/1128406896.db2.gz WPRLSPREXHSRPZ-QGZVFWFLSA-N 0 1 270.351 3.770 20 0 CHADMN Cc1ncc(CN(Cc2ccccn2)CC(C)C)s1 ZINC000932445634 1128410322 /nfs/dbraw/zinc/41/03/22/1128410322.db2.gz WJQAKVRTXBZIPZ-UHFFFAOYSA-N 0 1 275.421 3.505 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1CCC[C@H](C)CC1 ZINC000063302770 1128443332 /nfs/dbraw/zinc/44/33/32/1128443332.db2.gz YGCWZUACDTUFOX-RYUDHWBXSA-N 0 1 291.420 3.981 20 0 CHADMN FC(F)(F)CC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC000932797423 1128421263 /nfs/dbraw/zinc/42/12/63/1128421263.db2.gz DZBIPMVETXSNHM-RKBZKTAASA-N 0 1 267.722 3.934 20 0 CHADMN FC(F)CC1C[C@H]2CC[C@@H](C1)N2Cc1cnc(C2CC2)o1 ZINC000932800646 1128421595 /nfs/dbraw/zinc/42/15/95/1128421595.db2.gz LHCWEUVIXSNXJU-VGPLMAKISA-N 0 1 296.361 3.950 20 0 CHADMN CCSc1ccccc1CSc1nnc(CC)[nH]1 ZINC000916515130 1128422159 /nfs/dbraw/zinc/42/21/59/1128422159.db2.gz CBBSXDMTTSQVLJ-UHFFFAOYSA-N 0 1 279.434 3.771 20 0 CHADMN CCSc1ccccc1CSc1nc(CC)n[nH]1 ZINC000916515130 1128422160 /nfs/dbraw/zinc/42/21/60/1128422160.db2.gz CBBSXDMTTSQVLJ-UHFFFAOYSA-N 0 1 279.434 3.771 20 0 CHADMN Cc1ccc(OCCN2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000916621248 1128429951 /nfs/dbraw/zinc/42/99/51/1128429951.db2.gz KRLAGJWZTHGERR-CYBMUJFWSA-N 0 1 287.325 3.648 20 0 CHADMN CCCCN(CC)Cc1cc(C(C)=O)ccc1OCC ZINC000037395129 1128431689 /nfs/dbraw/zinc/43/16/89/1128431689.db2.gz NERBUCQDNWHNBM-UHFFFAOYSA-N 0 1 277.408 3.910 20 0 CHADMN CC(C)Oc1ccc(-c2c(F)cc(F)c(O)c2F)nc1 ZINC001235987141 1128432142 /nfs/dbraw/zinc/43/21/42/1128432142.db2.gz ZFVMDXULYRIKGW-UHFFFAOYSA-N 0 1 283.249 3.659 20 0 CHADMN Cc1ccc2nc(SC[C@H]3CCCC[C@@H]3O)[nH]c2c1 ZINC000328532693 1128433102 /nfs/dbraw/zinc/43/31/02/1128433102.db2.gz YMUNNUBNNJUHQD-RISCZKNCSA-N 0 1 276.405 3.515 20 0 CHADMN C[C@@]1(NCc2ccnc(Cl)c2)CCOc2ccccc21 ZINC000933365578 1128433759 /nfs/dbraw/zinc/43/37/59/1128433759.db2.gz CPAVOMFEPVLJSC-MRXNPFEDSA-N 0 1 288.778 3.523 20 0 CHADMN Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+](CC(=O)[O-])C1CC1 ZINC000037598437 1128433792 /nfs/dbraw/zinc/43/37/92/1128433792.db2.gz DWQMCDTYIWQWJH-UHFFFAOYSA-N 0 1 289.419 3.650 20 0 CHADMN C[C@]1(NCc2ccnc(Cl)c2)CCOc2ccccc21 ZINC000933365577 1128433985 /nfs/dbraw/zinc/43/39/85/1128433985.db2.gz CPAVOMFEPVLJSC-INIZCTEOSA-N 0 1 288.778 3.523 20 0 CHADMN CC(C)Cc1ccccc1C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933403493 1128435032 /nfs/dbraw/zinc/43/50/32/1128435032.db2.gz BPJASVDIWJYQJW-UHFFFAOYSA-N 0 1 284.403 3.618 20 0 CHADMN CC(C)Cc1ccccc1CN(C)Cc1cccc(=O)[nH]1 ZINC000933403493 1128435034 /nfs/dbraw/zinc/43/50/34/1128435034.db2.gz BPJASVDIWJYQJW-UHFFFAOYSA-N 0 1 284.403 3.618 20 0 CHADMN Fc1cncc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000778177218 1128437067 /nfs/dbraw/zinc/43/70/67/1128437067.db2.gz QREAAZXROSOLMU-MRXNPFEDSA-N 0 1 298.361 3.757 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccnc(OC)c1F ZINC001203525205 1128438230 /nfs/dbraw/zinc/43/82/30/1128438230.db2.gz XFRGZJFEFUDACV-UHFFFAOYSA-N 0 1 299.305 3.530 20 0 CHADMN COc1cc(-c2c(F)cc(F)c(O)c2F)cc(F)c1F ZINC001235994034 1128438978 /nfs/dbraw/zinc/43/89/78/1128438978.db2.gz ISWHRICPJVARNC-UHFFFAOYSA-N 0 1 290.187 3.763 20 0 CHADMN CC1(C)CCCN1Cc1cc(Br)cs1 ZINC000063072224 1128442123 /nfs/dbraw/zinc/44/21/23/1128442123.db2.gz ZSGBWEGADWMJNQ-UHFFFAOYSA-N 0 1 274.227 3.885 20 0 CHADMN CCCN(C)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000063761471 1128445585 /nfs/dbraw/zinc/44/55/85/1128445585.db2.gz FAGPEXWFBSGBCM-UHFFFAOYSA-N 0 1 264.756 3.837 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1cccc2c1OCCO2 ZINC000064432143 1128448922 /nfs/dbraw/zinc/44/89/22/1128448922.db2.gz MDFXKFKFFOVPCB-GFCCVEGCSA-N 0 1 289.400 3.712 20 0 CHADMN c1cc(CN(Cc2cccc3c2CCOC3)C2CC2)co1 ZINC000934003250 1128449677 /nfs/dbraw/zinc/44/96/77/1128449677.db2.gz DPXJRUXEWABWNG-UHFFFAOYSA-N 0 1 283.371 3.517 20 0 CHADMN C[C@H]1C[C@H](C)[N@@H+](Cc2sccc2Br)C1 ZINC000125703264 1128451696 /nfs/dbraw/zinc/45/16/96/1128451696.db2.gz HCMIACFZWPDKGW-IUCAKERBSA-N 0 1 274.227 3.741 20 0 CHADMN CC[C@H]1CCN(Cc2cc(-c3cccs3)on2)C1 ZINC000125851658 1128455029 /nfs/dbraw/zinc/45/50/29/1128455029.db2.gz QASISBIXQQADEU-NSHDSACASA-N 0 1 262.378 3.635 20 0 CHADMN CCC[C@H](C)CC[C@@H](C)NCc1ncc(Cl)cn1 ZINC001257465792 1128450298 /nfs/dbraw/zinc/45/02/98/1128450298.db2.gz BRTVGTRVXUIQSB-NWDGAFQWSA-N 0 1 269.820 3.825 20 0 CHADMN C[C@@H](CN1CCO[C@H](c2ccsc2)C1)c1ccccc1 ZINC000125590573 1128451200 /nfs/dbraw/zinc/45/12/00/1128451200.db2.gz UFLVXGJMKAMILJ-YOEHRIQHSA-N 0 1 287.428 3.925 20 0 CHADMN CC[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000125696687 1128451341 /nfs/dbraw/zinc/45/13/41/1128451341.db2.gz IROQMYBYXHORHC-KBPBESRZSA-N 0 1 285.391 3.838 20 0 CHADMN CCCCc1nc(CN[C@@H](C)Cc2cccnc2)cs1 ZINC000934242875 1128455913 /nfs/dbraw/zinc/45/59/13/1128455913.db2.gz YDWFGVVAOLQKLR-ZDUSSCGKSA-N 0 1 289.448 3.602 20 0 CHADMN C[C@@H](Cc1cccnc1)NCc1csc(C(C)(C)C)n1 ZINC000934237802 1128456066 /nfs/dbraw/zinc/45/60/66/1128456066.db2.gz DNQLBHHDVCZNMP-LBPRGKRZSA-N 0 1 289.448 3.556 20 0 CHADMN CCN(c1ccc(NC[C@@H](C)COC)cc1)C(C)C ZINC000187488256 1128459554 /nfs/dbraw/zinc/45/95/54/1128459554.db2.gz YSCBENJGQFLNEZ-CQSZACIVSA-N 0 1 264.413 3.616 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Oc1cccc(C)c1 ZINC000916851728 1128459661 /nfs/dbraw/zinc/45/96/61/1128459661.db2.gz VZODRPCOMPNAOS-UHFFFAOYSA-N 0 1 292.338 3.913 20 0 CHADMN CC(C)(C)c1nc(CN[C@@H]2CCOC23CCCC3)cs1 ZINC000934394148 1128460004 /nfs/dbraw/zinc/46/00/04/1128460004.db2.gz IGNPILMRLIMOLY-CYBMUJFWSA-N 0 1 294.464 3.632 20 0 CHADMN CCOc1ccc2nc(SCc3cnoc3C)[nH]c2c1 ZINC000126099932 1128461177 /nfs/dbraw/zinc/46/11/77/1128461177.db2.gz HRHWJBMRZAUAEI-UHFFFAOYSA-N 0 1 289.360 3.550 20 0 CHADMN CC(C)(C)CC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000126238397 1128462329 /nfs/dbraw/zinc/46/23/29/1128462329.db2.gz IVPRTDPFSHDAEP-ZDUSSCGKSA-N 0 1 253.411 3.558 20 0 CHADMN CC(C)(C)CCN1CCO[C@H](c2ccsc2)C1 ZINC000126238397 1128462331 /nfs/dbraw/zinc/46/23/31/1128462331.db2.gz IVPRTDPFSHDAEP-ZDUSSCGKSA-N 0 1 253.411 3.558 20 0 CHADMN Fc1cccc(CN[C@@H](c2ccncc2)C2CC2)c1F ZINC000934683712 1128466705 /nfs/dbraw/zinc/46/67/05/1128466705.db2.gz SBINGINCLLJDBF-MRXNPFEDSA-N 0 1 274.314 3.601 20 0 CHADMN Cc1cccc(C2=CC[N@@H+]([C@H](C)c3cnccn3)CC2)c1C ZINC000934841118 1128470682 /nfs/dbraw/zinc/47/06/82/1128470682.db2.gz NOKQRMCMJSHSIQ-MRXNPFEDSA-N 0 1 293.414 3.944 20 0 CHADMN Cc1cccc(C2=CCN([C@H](C)c3cnccn3)CC2)c1C ZINC000934841118 1128470685 /nfs/dbraw/zinc/47/06/85/1128470685.db2.gz NOKQRMCMJSHSIQ-MRXNPFEDSA-N 0 1 293.414 3.944 20 0 CHADMN C[C@H]1c2ccsc2CCN1C[C@@H](O)c1cccc(F)c1 ZINC000916991709 1128467299 /nfs/dbraw/zinc/46/72/99/1128467299.db2.gz UGOJFUZBIIPGJO-XHDPSFHLSA-N 0 1 291.391 3.540 20 0 CHADMN Cc1cccc([C@H](C)[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000126998143 1128470952 /nfs/dbraw/zinc/47/09/52/1128470952.db2.gz BWEUVTDLBBSPRQ-KXBFYZLASA-N 0 1 297.398 3.835 20 0 CHADMN Cc1cccc([C@H](C)N2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000126998143 1128470954 /nfs/dbraw/zinc/47/09/54/1128470954.db2.gz BWEUVTDLBBSPRQ-KXBFYZLASA-N 0 1 297.398 3.835 20 0 CHADMN Cc1cccc(C2=CCN(Cc3nccnc3C)CC2)c1C ZINC000934844975 1128470991 /nfs/dbraw/zinc/47/09/91/1128470991.db2.gz CVUCUNMDAJZFRS-UHFFFAOYSA-N 0 1 293.414 3.691 20 0 CHADMN Cc1cc(CN2CCC(C3CCCCC3)CC2)on1 ZINC000917059212 1128471877 /nfs/dbraw/zinc/47/18/77/1128471877.db2.gz CBLJNVXPIQMJRU-UHFFFAOYSA-N 0 1 262.397 3.775 20 0 CHADMN CC(C)c1noc([C@H](C)N2CC[C@@H](C)C[C@@H](C)C2)n1 ZINC000127111876 1128472392 /nfs/dbraw/zinc/47/23/92/1128472392.db2.gz HBWHFVXKXDNCJD-UPJWGTAASA-N 0 1 265.401 3.622 20 0 CHADMN Cc1ncsc1C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000066563760 1128474955 /nfs/dbraw/zinc/47/49/55/1128474955.db2.gz JFMHPJUDEBSLHP-OAHLLOKOSA-N 0 1 272.417 3.961 20 0 CHADMN Cc1noc(CN2CC[C@@H](Cc3ccc(C(C)C)cc3)C2)n1 ZINC000563780737 1128478898 /nfs/dbraw/zinc/47/88/98/1128478898.db2.gz MMMGTHYBGPUWDN-INIZCTEOSA-N 0 1 299.418 3.566 20 0 CHADMN Cc1noc(CN2CC[C@H](Cc3ccc(C(C)C)cc3)C2)n1 ZINC000563780739 1128478942 /nfs/dbraw/zinc/47/89/42/1128478942.db2.gz MMMGTHYBGPUWDN-MRXNPFEDSA-N 0 1 299.418 3.566 20 0 CHADMN O=C(C[C@H]1CCCC1(F)F)Nc1cccc(Cl)c1O ZINC000935108162 1128479514 /nfs/dbraw/zinc/47/95/14/1128479514.db2.gz LYUCEXZELJQMCF-MRVPVSSYSA-N 0 1 289.709 3.810 20 0 CHADMN CC(C)C[C@@H](C)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000935040140 1128476655 /nfs/dbraw/zinc/47/66/55/1128476655.db2.gz IFPXVRDNIKUVNX-SECBINFHSA-N 0 1 295.333 3.665 20 0 CHADMN COc1ccc([C@H]2CCCN2Cc2cnc(C)s2)cc1 ZINC000128030316 1128486065 /nfs/dbraw/zinc/48/60/65/1128486065.db2.gz QTDYYNQAFQSQEO-MRXNPFEDSA-N 0 1 288.416 3.797 20 0 CHADMN CCN(Cc1cnoc1C)[C@@H](C)c1ccc(F)cc1 ZINC000128347999 1128492937 /nfs/dbraw/zinc/49/29/37/1128492937.db2.gz RNYHPFQKYSOFOY-NSHDSACASA-N 0 1 262.328 3.705 20 0 CHADMN Cc1ccc(F)c(-c2noc([C@H]3CCCN3C(C)C)n2)c1 ZINC000924010111 1128493207 /nfs/dbraw/zinc/49/32/07/1128493207.db2.gz YTDMNXFAAOSANE-CQSZACIVSA-N 0 1 289.354 3.729 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000935614038 1128496411 /nfs/dbraw/zinc/49/64/11/1128496411.db2.gz PPEDQRUOKAVJBO-CLLJXQQHSA-N 0 1 283.375 3.636 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000564218427 1128498675 /nfs/dbraw/zinc/49/86/75/1128498675.db2.gz DVGSXLIBUDDRNE-ZDUSSCGKSA-N 0 1 287.762 3.554 20 0 CHADMN CCC[C@@H](C)CC[C@H](C)N1CC(N2CCC(F)(F)C2)C1 ZINC001257482527 1128498848 /nfs/dbraw/zinc/49/88/48/1128498848.db2.gz RUVSDVIVZHNVSH-KGLIPLIRSA-N 0 1 288.426 3.617 20 0 CHADMN CCN(Cc1cccc(F)c1)[C@@H](C)c1ccccn1 ZINC000128500224 1128500805 /nfs/dbraw/zinc/50/08/05/1128500805.db2.gz ULCLYVGPFHRCED-ZDUSSCGKSA-N 0 1 258.340 3.804 20 0 CHADMN Cc1ccccc1-c1noc([C@H]2CCN2C2CCCC2)n1 ZINC000923757738 1128518809 /nfs/dbraw/zinc/51/88/09/1128518809.db2.gz HIHAFCBYLPHMJX-OAHLLOKOSA-N 0 1 283.375 3.734 20 0 CHADMN CCC[N@@H+](CCc1ccccc1C(=O)[O-])Cc1ccccc1 ZINC000565105161 1128520151 /nfs/dbraw/zinc/52/01/51/1128520151.db2.gz XOGWJWZWQWSQHX-UHFFFAOYSA-N 0 1 297.398 3.840 20 0 CHADMN CC1(C)CN(Cc2ccccc2OC(F)F)[C@@H]1C1CC1 ZINC000565140885 1128520877 /nfs/dbraw/zinc/52/08/77/1128520877.db2.gz AQHVOWUGALDCDN-CQSZACIVSA-N 0 1 281.346 3.908 20 0 CHADMN CC/C=C/CC[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000565255084 1128522982 /nfs/dbraw/zinc/52/29/82/1128522982.db2.gz QFPLGZZHXXFEHN-MEGKRXCUSA-N 0 1 273.376 3.633 20 0 CHADMN C[C@@H]1CN(Cc2ccc(OCc3ccccc3)nc2)[C@H]1C ZINC000567286776 1128561603 /nfs/dbraw/zinc/56/16/03/1128561603.db2.gz WONSSVJJAIORKJ-CABCVRRESA-N 0 1 282.387 3.501 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)C[C@H](NCC(C)(F)F)CC3 ZINC000565295524 1128523914 /nfs/dbraw/zinc/52/39/14/1128523914.db2.gz RVNQGJOYYBPEAT-LLVKDONJSA-N 0 1 278.346 3.578 20 0 CHADMN Cc1cnn(C)c1CN(C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000565448600 1128526695 /nfs/dbraw/zinc/52/66/95/1128526695.db2.gz BOLYGRGDAOCMPZ-QGZVFWFLSA-N 0 1 289.398 3.697 20 0 CHADMN CC(C)c1ccc(-c2nc([C@H](N)C(C)C)no2)cc1 ZINC000041123368 1128536842 /nfs/dbraw/zinc/53/68/42/1128536842.db2.gz WCSHACLAZKAZRI-CYBMUJFWSA-N 0 1 259.353 3.516 20 0 CHADMN Cc1cc(C)c([C@@H](C)N[C@@H](C)c2ccn(C)n2)c(C)c1 ZINC000567219075 1128560425 /nfs/dbraw/zinc/56/04/25/1128560425.db2.gz ZIZYOIDZOIAHOB-LSDHHAIUSA-N 0 1 271.408 3.757 20 0 CHADMN Cc1cc(C)cc([C@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])o3)C2)c1 ZINC000566360764 1128542781 /nfs/dbraw/zinc/54/27/81/1128542781.db2.gz AUZSZJSRZATLAF-AWEZNQCLSA-N 0 1 299.370 3.584 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])CC1 ZINC000566359674 1128542909 /nfs/dbraw/zinc/54/29/09/1128542909.db2.gz LLDXIMPOESAGDW-NSHDSACASA-N 0 1 281.783 3.660 20 0 CHADMN Cc1cccc(Cl)c1C[N@@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000566366445 1128543432 /nfs/dbraw/zinc/54/34/32/1128543432.db2.gz BXKVEYGPOOUQLL-INIZCTEOSA-N 0 1 295.810 3.581 20 0 CHADMN N#CC(C(=O)c1cc2c(cccc2F)s1)c1ccccn1 ZINC000041493739 1128545468 /nfs/dbraw/zinc/54/54/68/1128545468.db2.gz BDLIFLNUNLZBDA-NSHDSACASA-N 0 1 296.326 3.925 20 0 CHADMN Cc1nc(CN[C@H](c2ccc(C)cc2)C2CC2)[nH]c1C ZINC000566499514 1128546043 /nfs/dbraw/zinc/54/60/43/1128546043.db2.gz WPIULYQBMKKYPU-QGZVFWFLSA-N 0 1 269.392 3.576 20 0 CHADMN C[C@@H]1CC[C@@]2(CCN(Cc3cc(C(C)(C)C)on3)C2)C1 ZINC000566554310 1128546523 /nfs/dbraw/zinc/54/65/23/1128546523.db2.gz UELHSMRAGDXUSR-CXAGYDPISA-N 0 1 276.424 3.984 20 0 CHADMN Cc1ccc(-c2cc(C(=O)OCc3ccc(C)cc3)[nH]n2)o1 ZINC000918502990 1128548346 /nfs/dbraw/zinc/54/83/46/1128548346.db2.gz ZUWBWTFMYSRNQQ-UHFFFAOYSA-N 0 1 296.326 3.644 20 0 CHADMN C[C@@H](N[C@@H]1CCCCc2ccccc21)c1ccncn1 ZINC000566660896 1128549211 /nfs/dbraw/zinc/54/92/11/1128549211.db2.gz XXTQSIDHSFBMTA-CXAGYDPISA-N 0 1 267.376 3.595 20 0 CHADMN C[C@@H]1CN(Cc2ccc3nc[nH]c3c2)c2ccccc21 ZINC000566697658 1128549922 /nfs/dbraw/zinc/54/99/22/1128549922.db2.gz HOKMCMFBFBNOBS-GFCCVEGCSA-N 0 1 263.344 3.687 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](C)c2cccc(C3CC3)c2)n[nH]1 ZINC000556120281 1128550913 /nfs/dbraw/zinc/55/09/13/1128550913.db2.gz NMLLXTVUBCSAAW-NWDGAFQWSA-N 0 1 284.407 3.656 20 0 CHADMN C[C@H](c1ccccc1F)N1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000566766657 1128551019 /nfs/dbraw/zinc/55/10/19/1128551019.db2.gz YZIVDIWKEBEDNC-UHOFOFEASA-N 0 1 277.383 3.776 20 0 CHADMN Cc1cc(C)cc(CN2CCC3(C2)Oc2ccccc2O3)c1 ZINC000566878550 1128553808 /nfs/dbraw/zinc/55/38/08/1128553808.db2.gz MTJMYBAYAOVZML-UHFFFAOYSA-N 0 1 295.382 3.677 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCCC2(CCCCC2)C1 ZINC000567054922 1128556455 /nfs/dbraw/zinc/55/64/55/1128556455.db2.gz DPSAZBXYBUJIMI-UHFFFAOYSA-N 0 1 287.403 3.931 20 0 CHADMN Cc1cc(Br)cc2[nH]c(-c3ccccn3)nc21 ZINC000129763947 1128556479 /nfs/dbraw/zinc/55/64/79/1128556479.db2.gz RNFBQMORDVTVNE-UHFFFAOYSA-N 0 1 288.148 3.696 20 0 CHADMN CCCN1CCC[C@@H]1c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000567066113 1128557404 /nfs/dbraw/zinc/55/74/04/1128557404.db2.gz KHCCOQWOWXODFE-OAHLLOKOSA-N 0 1 296.374 3.765 20 0 CHADMN C[C@H](N[C@H](c1ccc(F)cc1)C(C)(C)C)c1nccn1C ZINC000070444688 1128563958 /nfs/dbraw/zinc/56/39/58/1128563958.db2.gz YFFSDWZTJDGYAT-SWLSCSKDSA-N 0 1 289.398 3.997 20 0 CHADMN COC(=O)[C@H](C)N(CC[C@H](C)c1ccccc1)C1CCC1 ZINC000567438422 1128564631 /nfs/dbraw/zinc/56/46/31/1128564631.db2.gz OMPZBWPQELIPIH-GJZGRUSLSA-N 0 1 289.419 3.596 20 0 CHADMN C[C@H](N[C@@H]1CC[C@H]1C1CCC1)c1nc(C(C)(C)C)no1 ZINC000567490702 1128565588 /nfs/dbraw/zinc/56/55/88/1128565588.db2.gz WTIGYZCWCKDBSW-WCFLWFBJSA-N 0 1 277.412 3.596 20 0 CHADMN Cc1cccc2nc(CNC(=O)C[C@@H]3CCC[C@@H](C)C3)[nH]c21 ZINC000498418104 1128573400 /nfs/dbraw/zinc/57/34/00/1128573400.db2.gz BPRXCTXIINEBOI-TZMCWYRMSA-N 0 1 299.418 3.704 20 0 CHADMN FCCCCCSc1nc(-c2ccccc2F)n[nH]1 ZINC000556289208 1128573827 /nfs/dbraw/zinc/57/38/27/1128573827.db2.gz XSLRBFLYACSVLC-UHFFFAOYSA-N 0 1 283.347 3.843 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2NCCc1cc2ccccc2o1 ZINC000925456795 1128574799 /nfs/dbraw/zinc/57/47/99/1128574799.db2.gz FYYACFJPBXEUBL-HNNXBMFYSA-N 0 1 296.370 3.939 20 0 CHADMN Cc1nc([C@@H](C)Sc2nc3cc(F)ccc3s2)n[nH]1 ZINC000918871829 1128578080 /nfs/dbraw/zinc/57/80/80/1128578080.db2.gz MDABSIKCGDSWPC-ZCFIWIBFSA-N 0 1 294.380 3.715 20 0 CHADMN C[C@H]1CC[N@@H+](CCCCC(=O)[O-])CC12CCCCC2 ZINC000568281265 1128581915 /nfs/dbraw/zinc/58/19/15/1128581915.db2.gz FEMVQQURBGZVMG-AWEZNQCLSA-N 0 1 267.413 3.534 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1cc(F)ccc1Cl ZINC000568290820 1128582178 /nfs/dbraw/zinc/58/21/78/1128582178.db2.gz SNJHVPLDDQAWMU-NRUUGDAUSA-N 0 1 299.773 3.553 20 0 CHADMN COCCN[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000568331664 1128582495 /nfs/dbraw/zinc/58/24/95/1128582495.db2.gz LIBWFAPMRXQAGL-CYBMUJFWSA-N 0 1 274.191 3.681 20 0 CHADMN C[C@@]1(c2nc(-c3ccc4[nH]cnc4c3)no2)CC=CCC1 ZINC000556420384 1128587959 /nfs/dbraw/zinc/58/79/59/1128587959.db2.gz MQQBFZHNIPDSBV-MRXNPFEDSA-N 0 1 280.331 3.611 20 0 CHADMN CO[C@H](C)c1nc(CN2CC[C@@H]3CCCC[C@@H]32)cs1 ZINC000568623543 1128589133 /nfs/dbraw/zinc/58/91/33/1128589133.db2.gz UDGNXUZDKPPZJG-DYEKYZERSA-N 0 1 280.437 3.615 20 0 CHADMN CN(Cc1ccccc1)Cc1ccccc1OC1CC1 ZINC000568696081 1128589802 /nfs/dbraw/zinc/58/98/02/1128589802.db2.gz RPWLPLNCSPHHHI-UHFFFAOYSA-N 0 1 267.372 3.860 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1cccc(F)c1)CO2 ZINC000130744210 1128592986 /nfs/dbraw/zinc/59/29/86/1128592986.db2.gz CIOOHRHYVHZOTP-BLLLJJGKSA-N 0 1 271.335 3.918 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2cc(C)sc2C)n[nH]1 ZINC000568945495 1128595492 /nfs/dbraw/zinc/59/54/92/1128595492.db2.gz PCKKPXJNGWUVGN-ONGXEEELSA-N 0 1 292.452 3.847 20 0 CHADMN CC1(C)CCC[C@@H](CN[C@@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000569071941 1128597453 /nfs/dbraw/zinc/59/74/53/1128597453.db2.gz AXMICABZXSLSGJ-GDBMZVCRSA-N 0 1 298.434 3.700 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)CC1(C)CCCC1 ZINC000569275478 1128602941 /nfs/dbraw/zinc/60/29/41/1128602941.db2.gz CPXZHAPXUOCHKR-UHFFFAOYSA-N 0 1 271.311 3.565 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN(C)[C@H](C)c2ccco2)o1 ZINC000131043076 1128603343 /nfs/dbraw/zinc/60/33/43/1128603343.db2.gz WZIIADWHMLGSIC-GFCCVEGCSA-N 0 1 285.347 3.764 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)C3CCC3)n2)cc2nc[nH]c21 ZINC000569678762 1128606818 /nfs/dbraw/zinc/60/68/18/1128606818.db2.gz YPXUUZQCMKKKAZ-JTQLQIEISA-N 0 1 282.347 3.825 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCCC[C@H]2C2CCC2)c1 ZINC000649197355 1128608730 /nfs/dbraw/zinc/60/87/30/1128608730.db2.gz KRGYCCDXIHSNFM-INIZCTEOSA-N 0 1 297.402 3.666 20 0 CHADMN FC[C@H]1CCCN1CCSc1ccc(Cl)cc1 ZINC000569749214 1128609126 /nfs/dbraw/zinc/60/91/26/1128609126.db2.gz KKZAFGHEDAJVTB-GFCCVEGCSA-N 0 1 273.804 3.866 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)[C@@H](C(=O)[O-])C1 ZINC000570100616 1128616434 /nfs/dbraw/zinc/61/64/34/1128616434.db2.gz SCVJIFKBPYOTON-CXAGYDPISA-N 0 1 287.403 3.639 20 0 CHADMN CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1ncccc1O ZINC000569889964 1128611514 /nfs/dbraw/zinc/61/15/14/1128611514.db2.gz WZWPLVRGKVNLPA-QGZVFWFLSA-N 0 1 270.376 3.616 20 0 CHADMN CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1ncccc1[O-] ZINC000569889964 1128611515 /nfs/dbraw/zinc/61/15/15/1128611515.db2.gz WZWPLVRGKVNLPA-QGZVFWFLSA-N 0 1 270.376 3.616 20 0 CHADMN CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1ncccc1[O-] ZINC000569889964 1128611517 /nfs/dbraw/zinc/61/15/17/1128611517.db2.gz WZWPLVRGKVNLPA-QGZVFWFLSA-N 0 1 270.376 3.616 20 0 CHADMN Fc1ccc(Cl)c(CN2CC[C@@H](c3cccnc3)C2)c1 ZINC000569923700 1128612125 /nfs/dbraw/zinc/61/21/25/1128612125.db2.gz OZXTYUVPMWSTKN-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN C[C@@H]1CCN(Cc2nnc(C3CC3)s2)[C@H]2CCCC[C@H]12 ZINC000570131548 1128616891 /nfs/dbraw/zinc/61/68/91/1128616891.db2.gz KZCQZFCPZXCSTN-BNOWGMLFSA-N 0 1 291.464 3.816 20 0 CHADMN Cc1nc(CN(C)C2CC(C)(C)C2)nc2ccccc12 ZINC000570177210 1128617532 /nfs/dbraw/zinc/61/75/32/1128617532.db2.gz VVTQMALYIZWLCN-UHFFFAOYSA-N 0 1 269.392 3.559 20 0 CHADMN c1coc(C2=CCCN(CC3=Cc4ccccc4OC3)C2)c1 ZINC000570246774 1128619185 /nfs/dbraw/zinc/61/91/85/1128619185.db2.gz ATAMMLVKOGLCQF-UHFFFAOYSA-N 0 1 293.366 3.845 20 0 CHADMN CCCN(C)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000072515555 1128619282 /nfs/dbraw/zinc/61/92/82/1128619282.db2.gz WVWYRUMBTIFQBS-JTQLQIEISA-N 0 1 279.771 3.793 20 0 CHADMN CCOc1ccccc1CN(C)Cc1ccc2[nH]cnc2c1 ZINC000556787617 1128623380 /nfs/dbraw/zinc/62/33/80/1128623380.db2.gz OUEIGSUWFOLPTO-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN CCOc1ccccc1CN(C)Cc1ccc2nc[nH]c2c1 ZINC000556787617 1128623384 /nfs/dbraw/zinc/62/33/84/1128623384.db2.gz OUEIGSUWFOLPTO-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000570581710 1128626799 /nfs/dbraw/zinc/62/67/99/1128626799.db2.gz TUVRGPGKUJUWTC-OLZOCXBDSA-N 0 1 281.359 3.943 20 0 CHADMN O=C([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000570638085 1128628065 /nfs/dbraw/zinc/62/80/65/1128628065.db2.gz KLFLLQIWDUHXHP-NHYWBVRUSA-N 0 1 293.794 3.803 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1csc2ccccc12 ZINC000570689126 1128629663 /nfs/dbraw/zinc/62/96/63/1128629663.db2.gz IUTPNRHIDBBYME-ZDUSSCGKSA-N 0 1 277.389 3.586 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1cncc(F)c1 ZINC000570708922 1128630205 /nfs/dbraw/zinc/63/02/05/1128630205.db2.gz SRUYTMWOOSKXIR-ZSOIEALJSA-N 0 1 270.351 3.756 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000570730466 1128630524 /nfs/dbraw/zinc/63/05/24/1128630524.db2.gz UBGWDQMKWSQYCP-ZDUSSCGKSA-N 0 1 281.421 3.765 20 0 CHADMN CC(C)[C@H](N[C@@H]1CC[C@H]1C(C)C)c1nc(C2CC2)no1 ZINC000556859303 1128631497 /nfs/dbraw/zinc/63/14/97/1128631497.db2.gz SNHGHWMBSYBTJA-MJBXVCDLSA-N 0 1 277.412 3.668 20 0 CHADMN Cc1ccnc([C@@H]2CCN(Cc3cc(F)ccc3F)C2)c1 ZINC000570823762 1128632797 /nfs/dbraw/zinc/63/27/97/1128632797.db2.gz MVJDKYUQVGDYJS-CYBMUJFWSA-N 0 1 288.341 3.658 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000570855704 1128633885 /nfs/dbraw/zinc/63/38/85/1128633885.db2.gz YHKKKQMJTAFREB-CZUORRHYSA-N 0 1 275.392 3.785 20 0 CHADMN CC[N@@H+](Cc1ccccc1Cl)[C@H](CC(C)C)C(=O)[O-] ZINC000571810363 1128639118 /nfs/dbraw/zinc/63/91/18/1128639118.db2.gz CMYWSUAYLXLRHO-CQSZACIVSA-N 0 1 283.799 3.661 20 0 CHADMN CCC[C@@H]1CN(Cc2cc(C)nc3ccccc23)CCO1 ZINC000131935550 1128639912 /nfs/dbraw/zinc/63/99/12/1128639912.db2.gz XCXKPGMTHFYDOM-MRXNPFEDSA-N 0 1 284.403 3.544 20 0 CHADMN Cc1ccc(C[C@@H]2CCCN(Cc3ncc(C)cn3)C2)cc1 ZINC000572184774 1128642946 /nfs/dbraw/zinc/64/29/46/1128642946.db2.gz MAEHGIWTZMJQHQ-SFHVURJKSA-N 0 1 295.430 3.548 20 0 CHADMN COCc1ccccc1/C=C(/C)CN1CCC[C@@H]1CF ZINC000556950546 1128650497 /nfs/dbraw/zinc/65/04/97/1128650497.db2.gz CQJRMZMCTZKNLZ-OOXMNIKJSA-N 0 1 277.383 3.670 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000573379402 1128653618 /nfs/dbraw/zinc/65/36/18/1128653618.db2.gz GFEPBBHIFLEANI-FUHWJXTLSA-N 0 1 289.419 3.585 20 0 CHADMN CN(Cc1cccnc1)[C@@H]1CCCc2ccc(F)cc21 ZINC000132534814 1128653730 /nfs/dbraw/zinc/65/37/30/1128653730.db2.gz LHEKCSZCITTYOQ-QGZVFWFLSA-N 0 1 270.351 3.730 20 0 CHADMN Cc1oc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)cc1C(=O)[O-] ZINC000573452503 1128654494 /nfs/dbraw/zinc/65/44/94/1128654494.db2.gz SFOXUORQMNCVLA-WBMJQRKESA-N 0 1 299.370 3.664 20 0 CHADMN CC1(C)CCCC[C@H]1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000573434579 1128654614 /nfs/dbraw/zinc/65/46/14/1128654614.db2.gz XAMCYCNWCWZQFF-AWEZNQCLSA-N 0 1 298.390 3.627 20 0 CHADMN FC[C@@H]1CCCN1Cc1cccc(OC2CCCC2)c1 ZINC000573589042 1128655795 /nfs/dbraw/zinc/65/57/95/1128655795.db2.gz WAGJOTUNUYWPEC-HNNXBMFYSA-N 0 1 277.383 3.942 20 0 CHADMN CN(C[C@@H]1CC=CCC1)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000499190542 1128659604 /nfs/dbraw/zinc/65/96/04/1128659604.db2.gz HXUKXBTXACUJMO-CQSZACIVSA-N 0 1 295.386 3.505 20 0 CHADMN CCCCN(CC)[C@H](C)c1nc(-c2cccs2)no1 ZINC000132650603 1128659619 /nfs/dbraw/zinc/65/96/19/1128659619.db2.gz NHRDDCLHERKXFM-LLVKDONJSA-N 0 1 279.409 3.981 20 0 CHADMN CC(C)OC1CCC(N[C@@H]2CCCCC2(F)F)CC1 ZINC001257872824 1128660598 /nfs/dbraw/zinc/66/05/98/1128660598.db2.gz GNPYYFWTXFKWKP-JXQTWKCFSA-N 0 1 275.383 3.890 20 0 CHADMN c1nc2ccc(NCc3csc(C4CC4)n3)cc2[nH]1 ZINC000575109679 1128665665 /nfs/dbraw/zinc/66/56/65/1128665665.db2.gz GHJYNORBXKCKDC-UHFFFAOYSA-N 0 1 270.361 3.509 20 0 CHADMN CC(C)(C)C1CCC(C[N@H+]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000158467366 1128667921 /nfs/dbraw/zinc/66/79/21/1128667921.db2.gz BTGAIDCICGFJCC-NRXISQOPSA-N 0 1 281.440 3.778 20 0 CHADMN C[C@@H](N[C@H](C)c1ccnc(Cl)c1)c1cccnc1 ZINC000158531129 1128668460 /nfs/dbraw/zinc/66/84/60/1128668460.db2.gz QDDRZSUVCLUYPT-GHMZBOCLSA-N 0 1 261.756 3.542 20 0 CHADMN CCCC=CC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000920445681 1128681989 /nfs/dbraw/zinc/68/19/89/1128681989.db2.gz AYDOGBZESYVCLU-BCTQVIJGSA-N 0 1 285.391 3.733 20 0 CHADMN Fc1cccc([C@@H]2CCN(Cc3ccncc3Cl)C2)c1 ZINC000075717451 1128688578 /nfs/dbraw/zinc/68/85/78/1128688578.db2.gz GIEVTPKDALAXCQ-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000578076536 1128705952 /nfs/dbraw/zinc/70/59/52/1128705952.db2.gz MQUAUAPWOXPRRE-DGCLKSJQSA-N 0 1 281.421 3.847 20 0 CHADMN Fc1cccc(Cl)c1CN1CC[C@@H](c2cccnc2)C1 ZINC000578010037 1128702790 /nfs/dbraw/zinc/70/27/90/1128702790.db2.gz UCWQRAYOKFGPFW-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1ccc(CN[C@H]2c3ccccc3O[C@H]2C)cc1 ZINC000578169229 1128710234 /nfs/dbraw/zinc/71/02/34/1128710234.db2.gz UHIZCUAEOUBGOD-SUMWQHHRSA-N 0 1 253.345 3.607 20 0 CHADMN CCCCC[C@H](C)NC(=O)c1c(C)n[nH]c1C(C)C ZINC000159570938 1128710263 /nfs/dbraw/zinc/71/02/63/1128710263.db2.gz JBHKSBGGGNYPII-NSHDSACASA-N 0 1 265.401 3.540 20 0 CHADMN Cc1cccc(CCN2CC3(CCC3)[C@@H]2c2ccco2)n1 ZINC000578189024 1128710535 /nfs/dbraw/zinc/71/05/35/1128710535.db2.gz AWDDURGGMBYZCA-KRWDZBQOSA-N 0 1 282.387 3.753 20 0 CHADMN C[C@@H](NCc1cccc2c1OCC2)c1ccc(F)c(F)c1 ZINC000921471423 1128710817 /nfs/dbraw/zinc/71/08/17/1128710817.db2.gz DRIYCKXBIFTPCI-LLVKDONJSA-N 0 1 289.325 3.751 20 0 CHADMN Cc1ccc2nc(CNC/C=C/c3ccc(F)cc3)cn2c1 ZINC000578254094 1128712671 /nfs/dbraw/zinc/71/26/71/1128712671.db2.gz HKBYULOKNYFNHE-NSCUHMNNSA-N 0 1 295.361 3.585 20 0 CHADMN Cc1nsc(C)c1CN1CC[C@H](C(F)(F)F)C1(C)C ZINC000578421387 1128717875 /nfs/dbraw/zinc/71/78/75/1128717875.db2.gz VQEZTQSGYAROIZ-NSHDSACASA-N 0 1 292.370 3.923 20 0 CHADMN C[C@@H](NCc1cn(C)nc1C(F)F)c1ccc(Cl)cc1 ZINC000274496120 1117744382 /nfs/dbraw/zinc/74/43/82/1117744382.db2.gz QKYUELFVRHNSTB-SECBINFHSA-N 0 1 299.752 3.862 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cn(C)nc2C(F)F)cc1 ZINC000274490941 1117744847 /nfs/dbraw/zinc/74/48/47/1117744847.db2.gz OXSSQBRNFQPAOI-LBPRGKRZSA-N 0 1 293.361 3.859 20 0 CHADMN CC[C@H]1CN(CC)CCN1C(=O)CC1CCC(C)(C)CC1 ZINC000622652023 1117752988 /nfs/dbraw/zinc/75/29/88/1117752988.db2.gz ZOUBKJJZPDRKJB-INIZCTEOSA-N 0 1 294.483 3.536 20 0 CHADMN CC[C@H]1CN(CC)CCN1C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000622651968 1117753142 /nfs/dbraw/zinc/75/31/42/1117753142.db2.gz YFLGDXIGLGRARD-CVEARBPZSA-N 0 1 294.483 3.536 20 0 CHADMN O=C(Nc1cncc2ccccc21)c1ccc(O)c(Cl)c1 ZINC000396478308 1117753354 /nfs/dbraw/zinc/75/33/54/1117753354.db2.gz VVYDOGXMUZZXMP-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN CC[C@@H](C)N1CCN(C(=O)C[C@H](C)C2CCCCC2)CC1 ZINC000622658450 1117753787 /nfs/dbraw/zinc/75/37/87/1117753787.db2.gz XZGOZJKWJCESEQ-JKSUJKDBSA-N 0 1 294.483 3.536 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cc3ccc(F)cc3[nH]1)CO2 ZINC000683079269 1117754411 /nfs/dbraw/zinc/75/44/11/1117754411.db2.gz LMBFXSRMXSEYBH-KRWDZBQOSA-N 0 1 296.345 3.839 20 0 CHADMN COc1ccc(OC)c([C@@H](C)NCc2ccsc2)c1 ZINC000035012349 1117758855 /nfs/dbraw/zinc/75/88/55/1117758855.db2.gz IWVBBSANSUKLPL-LLVKDONJSA-N 0 1 277.389 3.616 20 0 CHADMN CCCN(C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1)C(C)C ZINC000622742681 1117762442 /nfs/dbraw/zinc/76/24/42/1117762442.db2.gz RZYUXRWCJQVALY-UHFFFAOYSA-N 0 1 299.418 3.954 20 0 CHADMN C[C@H]([NH2+]Cc1ccoc1)c1ccc(Br)cc1[O-] ZINC000185106844 1117764763 /nfs/dbraw/zinc/76/47/63/1117764763.db2.gz NJPRWQSWKZXADF-VIFPVBQESA-N 0 1 296.164 3.599 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(CC)(CC)CC)n[nH]1 ZINC000683121073 1117779352 /nfs/dbraw/zinc/77/93/52/1117779352.db2.gz NTQJGYQZBARGNS-NWDGAFQWSA-N 0 1 294.443 3.712 20 0 CHADMN OCC[C@@H]1CCCCCN1Cc1c(F)cccc1Cl ZINC000671248533 1117784539 /nfs/dbraw/zinc/78/45/39/1117784539.db2.gz ZHCSIHCVNATSQA-LBPRGKRZSA-N 0 1 285.790 3.606 20 0 CHADMN CCCCN(Cc1cnn(C)c1)[C@H](C)c1ccc(C)o1 ZINC000624195137 1117790995 /nfs/dbraw/zinc/79/09/95/1117790995.db2.gz MHLGPTWMKIKYHV-CQSZACIVSA-N 0 1 275.396 3.685 20 0 CHADMN Clc1ccc2c(c1)[C@@H](NCc1ccns1)CC2 ZINC000858451135 1117793597 /nfs/dbraw/zinc/79/35/97/1117793597.db2.gz RLAJTJJJVUPOOI-ZDUSSCGKSA-N 0 1 264.781 3.574 20 0 CHADMN Cc1ccncc1C[N@@H+](C)CCSc1ccccc1 ZINC000361444842 1117802454 /nfs/dbraw/zinc/80/24/54/1117802454.db2.gz YGTVYBAFHMRPFW-UHFFFAOYSA-N 0 1 272.417 3.614 20 0 CHADMN Cc1ccncc1CN(C)CCSc1ccccc1 ZINC000361444842 1117802460 /nfs/dbraw/zinc/80/24/60/1117802460.db2.gz YGTVYBAFHMRPFW-UHFFFAOYSA-N 0 1 272.417 3.614 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)[C@H]2CCCC[C@H]12 ZINC000579790854 1117805770 /nfs/dbraw/zinc/80/57/70/1117805770.db2.gz CFONVSPXLMXPRK-MCIONIFRSA-N 0 1 290.455 3.503 20 0 CHADMN CCC[C@]1(CO)CCN([C@@H](C)c2cc(F)ccc2F)C1 ZINC000579034591 1128736227 /nfs/dbraw/zinc/73/62/27/1128736227.db2.gz KHKXFXZCVRHDNY-LRDDRELGSA-N 0 1 283.362 3.510 20 0 CHADMN CCN(CCO[C@@H]1CCCC[C@H]1C)CCC(F)(F)F ZINC000623120678 1117816036 /nfs/dbraw/zinc/81/60/36/1117816036.db2.gz HCCPFBHREMABEZ-CHWSQXEVSA-N 0 1 281.362 3.856 20 0 CHADMN Cc1cc2ncnc(-c3cc(F)c(O)cc3F)c2s1 ZINC001206767530 1117817852 /nfs/dbraw/zinc/81/78/52/1117817852.db2.gz CZUVPWVTKAMWEF-UHFFFAOYSA-N 0 1 278.283 3.651 20 0 CHADMN CC[C@H]1CCN1Cc1ccc(C)cc1Br ZINC000430190228 1117827249 /nfs/dbraw/zinc/82/72/49/1117827249.db2.gz GZGYBTGSSCDUGF-LBPRGKRZSA-N 0 1 268.198 3.742 20 0 CHADMN Cc1ccccc1CSc1nc(C(C)(C)C)n[nH]1 ZINC000623331933 1117833089 /nfs/dbraw/zinc/83/30/89/1117833089.db2.gz BSCBGYZJISQOHM-UHFFFAOYSA-N 0 1 261.394 3.703 20 0 CHADMN Cc1ccccc1CSc1n[nH]c(C(C)(C)C)n1 ZINC000623331933 1117833091 /nfs/dbraw/zinc/83/30/91/1117833091.db2.gz BSCBGYZJISQOHM-UHFFFAOYSA-N 0 1 261.394 3.703 20 0 CHADMN CCCCOc1ccc(C[N@H+]2CC[C@H]2CC)cc1OC ZINC000430194122 1117838888 /nfs/dbraw/zinc/83/88/88/1117838888.db2.gz UCJPDSXTSGLPTE-OAHLLOKOSA-N 0 1 277.408 3.858 20 0 CHADMN CCC(C)(C)CC(=O)NNc1ccnc2ccccc21 ZINC000072912875 1117840313 /nfs/dbraw/zinc/84/03/13/1117840313.db2.gz ZYBDXRRVTYZUAJ-UHFFFAOYSA-N 0 1 271.364 3.504 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2cccc3n[nH]cc32)o1 ZINC000623362938 1117842080 /nfs/dbraw/zinc/84/20/80/1117842080.db2.gz QQEUHVPIRAUUDN-RISCZKNCSA-N 0 1 281.359 3.569 20 0 CHADMN CCc1noc(CN[C@@H]2CCCC[C@H]2Cc2ccccc2)n1 ZINC000119077705 1117843914 /nfs/dbraw/zinc/84/39/14/1117843914.db2.gz MCUOOAULFHSTRC-JKSUJKDBSA-N 0 1 299.418 3.523 20 0 CHADMN Cc1cnc(F)c(Nc2cc(C)nc3ccccc32)c1 ZINC001211493659 1117847761 /nfs/dbraw/zinc/84/77/61/1117847761.db2.gz JFYINCDHDQZATD-UHFFFAOYSA-N 0 1 267.307 3.551 20 0 CHADMN Cc1nc(C)c(CN2CCOc3ccccc3[C@@H]2C)s1 ZINC000607728628 1117852120 /nfs/dbraw/zinc/85/21/20/1117852120.db2.gz BWMPPRCHVBYNGV-LBPRGKRZSA-N 0 1 288.416 3.716 20 0 CHADMN C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccn(-c3ccccc3)n2)C1 ZINC000623433821 1117855609 /nfs/dbraw/zinc/85/56/09/1117855609.db2.gz ALMHQUBQTXUQMD-CRAIPNDOSA-N 0 1 283.419 3.883 20 0 CHADMN CCC[C@H](CCO)CNCc1c(F)ccc(F)c1Cl ZINC000623436046 1117857208 /nfs/dbraw/zinc/85/72/08/1117857208.db2.gz BCSRNWBNKXTHJF-SNVBAGLBSA-N 0 1 291.769 3.507 20 0 CHADMN CC[C@@H]1CCN1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000430201747 1117859177 /nfs/dbraw/zinc/85/91/77/1117859177.db2.gz ZYSYYIZQBUPBGF-CQSZACIVSA-N 0 1 275.783 3.510 20 0 CHADMN C[C@H](Cc1ccsc1)N1CCOc2cccc(F)c2C1 ZINC000670271712 1117863438 /nfs/dbraw/zinc/86/34/38/1117863438.db2.gz GAKVTUDQFXRACE-GFCCVEGCSA-N 0 1 291.391 3.713 20 0 CHADMN C[C@@]1(CNCc2c(F)ccc(F)c2Cl)CC1(F)F ZINC000623570063 1117874658 /nfs/dbraw/zinc/87/46/58/1117874658.db2.gz GYCXJWSEBQLVCL-NSHDSACASA-N 0 1 281.680 3.753 20 0 CHADMN FC(F)(F)c1ccn(CN2CCC[C@@H]2C2CCCC2)n1 ZINC000065941858 1117878172 /nfs/dbraw/zinc/87/81/72/1117878172.db2.gz BPLSZMCVMKSILD-GFCCVEGCSA-N 0 1 287.329 3.514 20 0 CHADMN Clc1cncc(CN[C@H](c2ccccn2)C2CCC2)c1 ZINC000623638742 1117880268 /nfs/dbraw/zinc/88/02/68/1117880268.db2.gz QSFZPBQOFZZZMS-INIZCTEOSA-N 0 1 287.794 3.761 20 0 CHADMN COc1c(Cl)ccc(F)c1CN1C[C@H](C)C[C@@H](C)C1 ZINC001238342791 1117880538 /nfs/dbraw/zinc/88/05/38/1117880538.db2.gz SNLLAEDGNWKALO-GHMZBOCLSA-N 0 1 285.790 3.966 20 0 CHADMN COc1c(Cl)ccc(F)c1CN1C[C@H](C)C[C@H](C)C1 ZINC001238342792 1117881455 /nfs/dbraw/zinc/88/14/55/1117881455.db2.gz SNLLAEDGNWKALO-PHIMTYICSA-N 0 1 285.790 3.966 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccoc1 ZINC000178468508 1117893627 /nfs/dbraw/zinc/89/36/27/1117893627.db2.gz GKZGDKQZBFGBRC-NHYWBVRUSA-N 0 1 257.333 3.626 20 0 CHADMN CC1(C)CC(CC(=O)Nc2c(=O)[nH][nH]c2-c2ccccc2)C1 ZINC000615280969 1128742401 /nfs/dbraw/zinc/74/24/01/1128742401.db2.gz KHKGTOIUYHBZCY-UHFFFAOYSA-N 0 1 299.374 3.547 20 0 CHADMN Cc1ncc(CN[C@H]2C[C@@H](C(C)C)c3ccccc32)cn1 ZINC000623706235 1117896761 /nfs/dbraw/zinc/89/67/61/1117896761.db2.gz QEZJSVMLHWIWJD-ROUUACIJSA-N 0 1 281.403 3.759 20 0 CHADMN C[C@H]1C[N@H+](Cc2cccc([O-])c2Cl)C(C)(C)C1 ZINC000380614291 1117896995 /nfs/dbraw/zinc/89/69/95/1117896995.db2.gz BJJNZBYNIKUXDF-SNVBAGLBSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cccc([O-])c2Cl)C(C)(C)C1 ZINC000380614291 1117897000 /nfs/dbraw/zinc/89/70/00/1117897000.db2.gz BJJNZBYNIKUXDF-SNVBAGLBSA-N 0 1 253.773 3.666 20 0 CHADMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2c(C)nsc2C)C1 ZINC000579245916 1128742660 /nfs/dbraw/zinc/74/26/60/1128742660.db2.gz WJVYWVVBWSBDKZ-CHWSQXEVSA-N 0 1 284.494 3.866 20 0 CHADMN FC(c1nc(-c2ccc3[nH]cnc3c2)no1)=C1CCCC1 ZINC000349675905 1117901417 /nfs/dbraw/zinc/90/14/17/1117901417.db2.gz OYPVXGFSUTVAQL-UHFFFAOYSA-N 0 1 284.294 3.868 20 0 CHADMN Cc1cccc([C@H](NCc2nccnc2C)C(C)C)c1 ZINC000623730948 1117904110 /nfs/dbraw/zinc/90/41/10/1117904110.db2.gz FJWYSAFXKZCZDM-QGZVFWFLSA-N 0 1 269.392 3.580 20 0 CHADMN COCCO[C@H]1CCCN([C@@H](C)c2ccccc2Cl)C1 ZINC000179333686 1117904212 /nfs/dbraw/zinc/90/42/12/1117904212.db2.gz YMXHFTFCUITDJH-KBPBESRZSA-N 0 1 297.826 3.528 20 0 CHADMN C[C@H]1CCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)[C@H]1C ZINC000179548963 1117907224 /nfs/dbraw/zinc/90/72/24/1117907224.db2.gz ADCWDXWGVCTGSG-STQMWFEESA-N 0 1 289.423 3.718 20 0 CHADMN C[C@]1(C[NH2+]Cc2cccc([O-])c2Cl)C[C@H]2C[C@H]2C1 ZINC000623740733 1117910676 /nfs/dbraw/zinc/91/06/76/1117910676.db2.gz BUVNEOBFFSYFNB-JYAVWHMHSA-N 0 1 265.784 3.571 20 0 CHADMN CCCCN(C(=O)c1cc(CC)[nH]n1)[C@H]1CCC[C@H](C)C1 ZINC000579276427 1128743382 /nfs/dbraw/zinc/74/33/82/1128743382.db2.gz NWZKUIWMOKKQJP-ZFWWWQNUSA-N 0 1 291.439 3.793 20 0 CHADMN C[C@@H](c1nc(CCC(F)(F)F)no1)N1CCCCCC1 ZINC000350595030 1117913411 /nfs/dbraw/zinc/91/34/11/1117913411.db2.gz LNWYBADEZOKXAL-JTQLQIEISA-N 0 1 291.317 3.502 20 0 CHADMN CCc1nnc(CN[C@H](CCC(C)C)C(C)(C)C)o1 ZINC000179911930 1117916300 /nfs/dbraw/zinc/91/63/00/1117916300.db2.gz RLHDJIFLFALTEA-GFCCVEGCSA-N 0 1 267.417 3.573 20 0 CHADMN Cc1ncsc1CN(C)Cc1ccc2c(c1)CCCC2 ZINC000430247559 1117917197 /nfs/dbraw/zinc/91/71/97/1117917197.db2.gz ZWSJDFDNDVUPOE-UHFFFAOYSA-N 0 1 286.444 3.962 20 0 CHADMN C[C@H](NC/C=C\Cl)c1ccc(F)c(Br)c1 ZINC000382185890 1117918690 /nfs/dbraw/zinc/91/86/90/1117918690.db2.gz AZXVTIGFCORSJT-YAPUSRSVSA-N 0 1 292.579 3.991 20 0 CHADMN C[C@H](c1cccs1)c1nc(-c2ccn3cncc3c2)no1 ZINC000351075080 1117926054 /nfs/dbraw/zinc/92/60/54/1117926054.db2.gz HCDLUAJKTAHVMW-SNVBAGLBSA-N 0 1 296.355 3.598 20 0 CHADMN C[C@H](CC(F)(F)F)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000351203927 1117929449 /nfs/dbraw/zinc/92/94/49/1117929449.db2.gz DLBKNZCWGXDRBD-SSDOTTSWSA-N 0 1 296.252 3.669 20 0 CHADMN CC(C)(CC(F)F)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000351203943 1117929505 /nfs/dbraw/zinc/92/95/05/1117929505.db2.gz DNRLQSWFWDTYAO-UHFFFAOYSA-N 0 1 292.289 3.546 20 0 CHADMN CCc1cnc(CNCC2(C(F)(F)F)CCCC2)s1 ZINC000623787555 1117932641 /nfs/dbraw/zinc/93/26/41/1117932641.db2.gz QIHSPWJAQGCWDZ-UHFFFAOYSA-N 0 1 292.370 3.918 20 0 CHADMN Cc1nc(CNCC2(C(F)(F)F)CCCC2)cs1 ZINC000623786946 1117932662 /nfs/dbraw/zinc/93/26/62/1117932662.db2.gz RFVHSCDWMYFDHX-UHFFFAOYSA-N 0 1 278.343 3.664 20 0 CHADMN COc1ccc(Cl)cc1CN(C)CCOCCC(C)C ZINC000615340407 1128744933 /nfs/dbraw/zinc/74/49/33/1128744933.db2.gz RHRCWRBIJQZUGX-UHFFFAOYSA-N 0 1 299.842 3.843 20 0 CHADMN Cc1c[nH]nc1CNC(C)(C)c1ccc2ccccc2c1 ZINC000623803855 1117937610 /nfs/dbraw/zinc/93/76/10/1117937610.db2.gz VNCZLAVGKBZZAO-UHFFFAOYSA-N 0 1 279.387 3.896 20 0 CHADMN FC1(F)CCC[C@@H](CN2CCCC[C@H]2c2cc[nH]n2)C1 ZINC000510124604 1117938684 /nfs/dbraw/zinc/93/86/84/1117938684.db2.gz RJKIQRDDRHQNEU-OCCSQVGLSA-N 0 1 283.366 3.762 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N1CCC[C@@H]1CC1CCCC1 ZINC000655367248 1117943574 /nfs/dbraw/zinc/94/35/74/1117943574.db2.gz YKAHSSSSUINFIE-CQSZACIVSA-N 0 1 297.402 3.748 20 0 CHADMN CCCC[N@@H+](Cc1noc(C)n1)[C@H]1CCC[C@H](C)C1 ZINC000339649432 1117946429 /nfs/dbraw/zinc/94/64/29/1117946429.db2.gz VENZMHTZZJOZCX-JSGCOSHPSA-N 0 1 265.401 3.559 20 0 CHADMN CCCCN(Cc1noc(C)n1)[C@H]1CCC[C@H](C)C1 ZINC000339649432 1117946434 /nfs/dbraw/zinc/94/64/34/1117946434.db2.gz VENZMHTZZJOZCX-JSGCOSHPSA-N 0 1 265.401 3.559 20 0 CHADMN Cc1csc([C@@H](C)NCCc2csc(C(C)C)n2)n1 ZINC000623883675 1117947709 /nfs/dbraw/zinc/94/77/09/1117947709.db2.gz JLYPQIZZTRNMPB-LLVKDONJSA-N 0 1 295.477 3.925 20 0 CHADMN C[C@H](CN[C@@H]1CCCc2scnc21)Oc1ccccc1 ZINC000623914668 1117953425 /nfs/dbraw/zinc/95/34/25/1117953425.db2.gz GHZNDALUFPBLMD-TZMCWYRMSA-N 0 1 288.416 3.578 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@H](CC2CC2)C1 ZINC000339685786 1117953591 /nfs/dbraw/zinc/95/35/91/1117953591.db2.gz HKAWMCKQKIPXQX-TZMCWYRMSA-N 0 1 297.402 3.518 20 0 CHADMN Cc1noc(C)c1[C@H](C)CN[C@@H]1CCCc2scnc21 ZINC000623923720 1117957685 /nfs/dbraw/zinc/95/76/85/1117957685.db2.gz JMJMPTILPGHYDD-BXKDBHETSA-N 0 1 291.420 3.519 20 0 CHADMN CCN(CC(C)C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000579372335 1128746702 /nfs/dbraw/zinc/74/67/02/1128746702.db2.gz NNALTAJONWHVPJ-UHFFFAOYSA-N 0 1 289.297 3.529 20 0 CHADMN Cc1ccc([C@H](C)N(C)C(=O)c2cc(C(C)C)[nH]n2)c(C)c1 ZINC000623952163 1117961142 /nfs/dbraw/zinc/96/11/42/1117961142.db2.gz XGYVEFKPSKHZBL-AWEZNQCLSA-N 0 1 299.418 3.983 20 0 CHADMN CC(C)[C@@]1(CO)CCCN(Cc2cccc(F)c2Cl)C1 ZINC000339705117 1117961634 /nfs/dbraw/zinc/96/16/34/1117961634.db2.gz ZIKKGLWUOZDKMH-INIZCTEOSA-N 0 1 299.817 3.710 20 0 CHADMN CC(C)C[C@@H]1OCCC[C@H]1N[C@@H]1CCCc2scnc21 ZINC000623964054 1117963017 /nfs/dbraw/zinc/96/30/17/1117963017.db2.gz YBHKANYTXBSCPO-MCIONIFRSA-N 0 1 294.464 3.704 20 0 CHADMN Cc1cccc(NC(=O)[C@@H](C)N2CC(C)=C[C@@H](C)C2)c1C ZINC000430269799 1117970087 /nfs/dbraw/zinc/97/00/87/1117970087.db2.gz SIAUJILWRPKEFI-MLGOLLRUSA-N 0 1 286.419 3.528 20 0 CHADMN C[N@@H+](Cc1ccc(C(C)(C)C)s1)[C@H]1CCCOC1 ZINC000579407778 1128747386 /nfs/dbraw/zinc/74/73/86/1128747386.db2.gz NMSRSGAFKLYAMF-LBPRGKRZSA-N 0 1 267.438 3.656 20 0 CHADMN c1cnc2ccc(CN3CCOC[C@@H]3CC3CCC3)cc2c1 ZINC000339776795 1117975416 /nfs/dbraw/zinc/97/54/16/1117975416.db2.gz MISPOECXKZXRTM-SFHVURJKSA-N 0 1 296.414 3.626 20 0 CHADMN CC[C@@H](NCc1ccns1)c1ccccc1OC(F)F ZINC000624047540 1117975635 /nfs/dbraw/zinc/97/56/35/1117975635.db2.gz GYRJRSOONSTMQY-GFCCVEGCSA-N 0 1 298.358 3.985 20 0 CHADMN Cc1c(F)cccc1-c1ccc(CN[C@H](C)c2cn[nH]c2)o1 ZINC000339791689 1117975770 /nfs/dbraw/zinc/97/57/70/1117975770.db2.gz ZGKKGOHEORCEMR-GFCCVEGCSA-N 0 1 299.349 3.968 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2[C@@H](c3ccccc3)C2(C)C)no1 ZINC000624069762 1117977987 /nfs/dbraw/zinc/97/79/87/1117977987.db2.gz WACSFGFXIMTFOP-APHBMKBZSA-N 0 1 270.376 3.826 20 0 CHADMN c1ccc2cc(CN3CCO[C@H]4CCC[C@H]43)ccc2c1 ZINC000430275253 1117981088 /nfs/dbraw/zinc/98/10/88/1117981088.db2.gz AKGMEOKQXHNOPO-MSOLQXFVSA-N 0 1 267.372 3.593 20 0 CHADMN CC1=C[C@@H](C)C[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000430277321 1117983334 /nfs/dbraw/zinc/98/33/34/1117983334.db2.gz FYZMKSKNMDJESO-CYBMUJFWSA-N 0 1 268.360 3.740 20 0 CHADMN COc1cc(C)nc(CN(Cc2cccs2)C(C)C)c1 ZINC000339839519 1117984196 /nfs/dbraw/zinc/98/41/96/1117984196.db2.gz STIHNHPFJXGFJQ-UHFFFAOYSA-N 0 1 290.432 3.871 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc2n[nH]cc21 ZINC000042024583 1117986014 /nfs/dbraw/zinc/98/60/14/1117986014.db2.gz ANRYAAWNNIRTLZ-NSHDSACASA-N 0 1 297.333 3.535 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@H+]([C@@H](C)c2ccccc2Cl)C1 ZINC000232765995 1117988713 /nfs/dbraw/zinc/98/87/13/1117988713.db2.gz SSWRFEYXYQKZDP-LRDDRELGSA-N 0 1 295.810 3.834 20 0 CHADMN CC1=C[C@@H](C)CN([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000430279952 1117990711 /nfs/dbraw/zinc/99/07/11/1117990711.db2.gz NYVZYVHDPLVHRV-DGCLKSJQSA-N 0 1 292.810 3.565 20 0 CHADMN CC[C@@H](C)[N@@H+](Cc1ccccc1)CC1(CC(=O)[O-])CC1 ZINC000387301657 1117996166 /nfs/dbraw/zinc/99/61/66/1117996166.db2.gz YPJDUWBCWOSCNG-CQSZACIVSA-N 0 1 275.392 3.542 20 0 CHADMN C[C@H](c1ccccc1F)N(C)C(=O)c1cccc2n[nH]cc21 ZINC000042042261 1117996217 /nfs/dbraw/zinc/99/62/17/1117996217.db2.gz AVECTPZSRYKRMB-LLVKDONJSA-N 0 1 297.333 3.535 20 0 CHADMN CC[C@H](C)[C@H](CNCc1c(F)ccc(F)c1Cl)OC ZINC000705551461 1117997062 /nfs/dbraw/zinc/99/70/62/1117997062.db2.gz FGTISKCCRLHIHH-ZANVPECISA-N 0 1 291.769 3.769 20 0 CHADMN FC(F)(F)c1cccc(CCN2CCCCC23COC3)c1 ZINC001209118521 1117999839 /nfs/dbraw/zinc/99/98/39/1117999839.db2.gz XIUSZPKSMQOOTG-UHFFFAOYSA-N 0 1 299.336 3.503 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2ccn(C(C)C)n2)C1(CC)CC ZINC000181781275 1118007426 /nfs/dbraw/zinc/00/74/26/1118007426.db2.gz BLBBTBSPDGQHEF-CVEARBPZSA-N 0 1 293.455 3.537 20 0 CHADMN Fc1ccc(Oc2ccc(CNCc3cn[nH]c3)cc2)cc1 ZINC000624212040 1118007831 /nfs/dbraw/zinc/00/78/31/1118007831.db2.gz NWOHGLZUQYYCFR-UHFFFAOYSA-N 0 1 297.333 3.631 20 0 CHADMN Cc1cncc(CN[C@H]2CCSc3c(F)cccc32)c1 ZINC000181830896 1118008390 /nfs/dbraw/zinc/00/83/90/1118008390.db2.gz NWXGDYCKPKHMOL-HNNXBMFYSA-N 0 1 288.391 3.856 20 0 CHADMN CC1(C)Cc2cccc(CNCc3ccc(C#N)cc3)c2O1 ZINC000078005836 1118009166 /nfs/dbraw/zinc/00/91/66/1118009166.db2.gz YPDBSTCKVNVZKR-UHFFFAOYSA-N 0 1 292.382 3.562 20 0 CHADMN Fc1ccc(F)c(CNC2Cc3ccccc3C2)c1Cl ZINC000705589841 1118013147 /nfs/dbraw/zinc/01/31/47/1118013147.db2.gz LDUMWZREUJCBAX-UHFFFAOYSA-N 0 1 293.744 3.875 20 0 CHADMN COCCCCN1CCC[C@H]1c1c(F)cccc1F ZINC001209219090 1118016942 /nfs/dbraw/zinc/01/69/42/1118016942.db2.gz FANZCNPWKABAAC-AWEZNQCLSA-N 0 1 269.335 3.528 20 0 CHADMN CCN(CC)CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000017283471 1118017563 /nfs/dbraw/zinc/01/75/63/1118017563.db2.gz ISEVAFIOTGVHEC-UHFFFAOYSA-N 0 1 282.387 3.634 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000380636901 1118022032 /nfs/dbraw/zinc/02/20/32/1118022032.db2.gz LXQHNZYJTXAWAK-QGZVFWFLSA-N 0 1 281.440 3.636 20 0 CHADMN Cc1nnc([C@@H](C)N[C@H](C)CCCC(F)(F)F)s1 ZINC000359991911 1118023540 /nfs/dbraw/zinc/02/35/40/1118023540.db2.gz ITASOVTYYPPUMV-HTQZYQBOSA-N 0 1 281.347 3.618 20 0 CHADMN CC/C=C\CCCCCC[N@H+]1CCC[C@H]1C(C)=O ZINC001209288116 1118023904 /nfs/dbraw/zinc/02/39/04/1118023904.db2.gz CTLZOPGMXUNPJM-AWFCHZOYSA-N 0 1 251.414 3.957 20 0 CHADMN CCOc1cccc([C@H](C)NCc2ccc(Cl)nc2)c1 ZINC000083453976 1118025470 /nfs/dbraw/zinc/02/54/70/1118025470.db2.gz LMCCMPDTLJRGJW-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1Cl ZINC001204439519 1118037911 /nfs/dbraw/zinc/03/79/11/1118037911.db2.gz YIMFYMDOTRDJLV-PBWFPOADSA-N 0 1 283.774 3.621 20 0 CHADMN c1nnc(-c2ccccc2OCCSc2ccccc2)[nH]1 ZINC000183265233 1118041141 /nfs/dbraw/zinc/04/11/41/1118041141.db2.gz FPCFVCLYEHVRLE-UHFFFAOYSA-N 0 1 297.383 3.643 20 0 CHADMN Cc1cc(C)cc([C@@H]2CCN(Cc3nccs3)C2)c1 ZINC000183478025 1118045174 /nfs/dbraw/zinc/04/51/74/1118045174.db2.gz KWLCOCYQPQNWTB-CQSZACIVSA-N 0 1 272.417 3.749 20 0 CHADMN Fc1cccc(C2(NCc3ccnc(Cl)c3)CC2)c1 ZINC000179691012 1118045225 /nfs/dbraw/zinc/04/52/25/1118045225.db2.gz GPVOCQFWYRNXNY-UHFFFAOYSA-N 0 1 276.742 3.653 20 0 CHADMN CC(C)CCc1nc(CN[C@@H](CCO)C(C)(C)C)cs1 ZINC000183656488 1118046970 /nfs/dbraw/zinc/04/69/70/1118046970.db2.gz ADVLXONKAFJAJU-AWEZNQCLSA-N 0 1 298.496 3.618 20 0 CHADMN C[C@H](c1cccnc1)N(C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000183718068 1118047970 /nfs/dbraw/zinc/04/79/70/1118047970.db2.gz FYAXSLSSDCPSIY-CQSZACIVSA-N 0 1 296.414 3.988 20 0 CHADMN C[C@@H](CN(C)Cc1nc2ccccc2o1)c1nccs1 ZINC000183988276 1118049856 /nfs/dbraw/zinc/04/98/56/1118049856.db2.gz RVHNWJWITJIMHJ-NSHDSACASA-N 0 1 287.388 3.520 20 0 CHADMN CCCCC1=NN(Cc2cnc3ccccc3c2)C(=O)[C@H]1C ZINC000634618569 1118054447 /nfs/dbraw/zinc/05/44/47/1118054447.db2.gz WBFXEHAYWGTSIG-ZDUSSCGKSA-N 0 1 295.386 3.759 20 0 CHADMN CCCCc1[nH]n(Cc2cnc3ccccc3c2)c(=O)c1C ZINC000634618569 1118054452 /nfs/dbraw/zinc/05/44/52/1118054452.db2.gz WBFXEHAYWGTSIG-ZDUSSCGKSA-N 0 1 295.386 3.759 20 0 CHADMN C[C@H](N[C@H]1CCCc2n[nH]cc21)c1cc2ccccc2o1 ZINC000367538939 1118056358 /nfs/dbraw/zinc/05/63/58/1118056358.db2.gz UUGUXKOYZJDMFH-FZMZJTMJSA-N 0 1 281.359 3.884 20 0 CHADMN CC(C)c1cccc(CN[C@H](CO)c2ccsc2)c1 ZINC000660303265 1118056865 /nfs/dbraw/zinc/05/68/65/1118056865.db2.gz PGHYBUFQOMIVDM-MRXNPFEDSA-N 0 1 275.417 3.695 20 0 CHADMN C[C@H]1CCN(Cc2ccccc2N2CCCCC2)C[C@@H]1F ZINC000779151470 1128753033 /nfs/dbraw/zinc/75/30/33/1128753033.db2.gz YEBLQGQBGTYDRK-RDJZCZTQSA-N 0 1 290.426 3.857 20 0 CHADMN Cc1cccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2)c1C ZINC000025416953 1118058761 /nfs/dbraw/zinc/05/87/61/1118058761.db2.gz HUWCFTLPJNXHTH-MRXNPFEDSA-N 0 1 296.414 3.762 20 0 CHADMN Cc1cnc([C@@H](NCCOCCC(C)C)C2CC2)s1 ZINC000185274837 1118061644 /nfs/dbraw/zinc/06/16/44/1118061644.db2.gz UONUUXSANJKLPJ-AWEZNQCLSA-N 0 1 282.453 3.555 20 0 CHADMN CCSc1cccc(CNCc2cccc(C)n2)c1 ZINC000185475470 1118062619 /nfs/dbraw/zinc/06/26/19/1118062619.db2.gz KFPAGSQGEDDPIJ-UHFFFAOYSA-N 0 1 272.417 3.792 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2nn(C)c3ccccc23)c1 ZINC000683355251 1118065698 /nfs/dbraw/zinc/06/56/98/1118065698.db2.gz RUSBTMILXLXGMK-UHFFFAOYSA-N 0 1 293.414 3.822 20 0 CHADMN C[C@H](NC(=O)C=CC1CCCCC1)c1nc2ccccc2[nH]1 ZINC000255055527 1118065709 /nfs/dbraw/zinc/06/57/09/1118065709.db2.gz VARYPGCVZANORK-HHQWOOOKSA-N 0 1 297.402 3.877 20 0 CHADMN Cc1oc2ccccc2c1CNCc1ccc(F)cn1 ZINC000340107192 1118066234 /nfs/dbraw/zinc/06/62/34/1118066234.db2.gz XYOYTZIFKIQJCW-UHFFFAOYSA-N 0 1 270.307 3.565 20 0 CHADMN Cc1cc([C@@H](NCc2ccoc2)C2CC2)ccc1F ZINC000340109482 1118067957 /nfs/dbraw/zinc/06/79/57/1118067957.db2.gz PYBIMQGWFOMQCT-INIZCTEOSA-N 0 1 259.324 3.968 20 0 CHADMN CCCCN(C)Cc1nc2cc(Br)ccc2[nH]1 ZINC000074320800 1118071005 /nfs/dbraw/zinc/07/10/05/1118071005.db2.gz KNQDEUGFHPPBST-UHFFFAOYSA-N 0 1 296.212 3.557 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Cl)cc2Cl)CCC[C@H]1O ZINC001203388373 1118075329 /nfs/dbraw/zinc/07/53/29/1118075329.db2.gz CVVAEEKBFGAWLC-QMTHXVAHSA-N 0 1 288.218 3.586 20 0 CHADMN CCCC=CC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000068079592 1128754105 /nfs/dbraw/zinc/75/41/05/1128754105.db2.gz AYDOGBZESYVCLU-RFKZRZAASA-N 0 1 285.391 3.733 20 0 CHADMN CO[C@H]1CCN(Cc2cc(F)cc(C)c2Cl)[C@H](C)C1 ZINC001238784257 1118083418 /nfs/dbraw/zinc/08/34/18/1118083418.db2.gz NHRSONFAKLHQCW-RISCZKNCSA-N 0 1 285.790 3.787 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)CC[C@@H]1O ZINC001203389206 1118084007 /nfs/dbraw/zinc/08/40/07/1118084007.db2.gz YKQLWBFYTIJMQI-YGRLFVJLSA-N 0 1 288.218 3.586 20 0 CHADMN C[C@@H]1CCCN1Cc1c(F)cccc1C(F)(F)F ZINC001204455904 1118085962 /nfs/dbraw/zinc/08/59/62/1118085962.db2.gz DUBDLRULPDBQGO-SECBINFHSA-N 0 1 261.262 3.829 20 0 CHADMN CC[C@@H](C(=O)Nc1ccc(-c2ccccc2)cc1)N(C)C ZINC000764408494 1118089026 /nfs/dbraw/zinc/08/90/26/1118089026.db2.gz NDLRIKTVDWRFDQ-KRWDZBQOSA-N 0 1 282.387 3.632 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1Cl ZINC000652366853 1118094334 /nfs/dbraw/zinc/09/43/34/1118094334.db2.gz VHKIFLQPOAWPBT-ZDUSSCGKSA-N 0 1 281.783 3.803 20 0 CHADMN CC(C)C[N@@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000179730899 1128755618 /nfs/dbraw/zinc/75/56/18/1128755618.db2.gz FLCBEJGQRKLPKJ-UHFFFAOYSA-N 0 1 253.773 3.666 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1ccc(F)nc1 ZINC000779157899 1128755653 /nfs/dbraw/zinc/75/56/53/1128755653.db2.gz JTLCNZMDDNEIHH-INIZCTEOSA-N 0 1 270.351 3.730 20 0 CHADMN CC(C)(NCc1nc2ccccc2[nH]1)c1ccccc1 ZINC000340173865 1118098195 /nfs/dbraw/zinc/09/81/95/1118098195.db2.gz PMJNFSLHCADOLX-UHFFFAOYSA-N 0 1 265.360 3.588 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000119687147 1118100471 /nfs/dbraw/zinc/10/04/71/1118100471.db2.gz SKFZAJUBZOPIRT-UONOGXRCSA-N 0 1 289.423 3.540 20 0 CHADMN CC1(C)CCCC[C@@H]1NCc1noc(-c2ccsc2)n1 ZINC000119800962 1118104131 /nfs/dbraw/zinc/10/41/31/1118104131.db2.gz XWYXQKARRHSLIB-LBPRGKRZSA-N 0 1 291.420 3.857 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cc(F)cc2F)c1ccccn1 ZINC000120937382 1118105592 /nfs/dbraw/zinc/10/55/92/1118105592.db2.gz WFHGKLNBWGBMAS-MGPLVRAMSA-N 0 1 274.314 3.698 20 0 CHADMN Cn1cncc1CNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000340191110 1118106414 /nfs/dbraw/zinc/10/64/14/1118106414.db2.gz HMCVIPGANTZRLZ-UHFFFAOYSA-N 0 1 296.201 3.506 20 0 CHADMN CCOCCN1CCC[C@@H]1c1ccccc1Br ZINC000088559378 1118163972 /nfs/dbraw/zinc/16/39/72/1118163972.db2.gz CSNVAMQFJVKTRR-CQSZACIVSA-N 0 1 298.224 3.623 20 0 CHADMN c1cc2cc(NCC[C@H]3CCCCO3)ccc2cn1 ZINC000653466722 1118113322 /nfs/dbraw/zinc/11/33/22/1118113322.db2.gz TWUZHQBFOGXCLH-MRXNPFEDSA-N 0 1 256.349 3.606 20 0 CHADMN C[C@H]1CN(C2CCCC2)C[C@H](c2ccc(F)cc2)O1 ZINC000120151356 1118115776 /nfs/dbraw/zinc/11/57/76/1118115776.db2.gz UMHGEEPCMIJXTR-BLLLJJGKSA-N 0 1 263.356 3.530 20 0 CHADMN Cc1ccc2cccc(Nc3cnc(N)cc3C)c2n1 ZINC001209967425 1118122030 /nfs/dbraw/zinc/12/20/30/1118122030.db2.gz OKBFMTMHMWTMNO-UHFFFAOYSA-N 0 1 264.332 3.572 20 0 CHADMN CCOc1ccc(Nc2cnc(N)cc2C)cc1Cl ZINC001209968897 1118122598 /nfs/dbraw/zinc/12/25/98/1118122598.db2.gz GEMDCJRCPDTIGJ-UHFFFAOYSA-N 0 1 277.755 3.768 20 0 CHADMN Cc1ncc(CN(C)[C@@H]2C=CCCCCC2)s1 ZINC000340278286 1118130100 /nfs/dbraw/zinc/13/01/00/1118130100.db2.gz FBZNXGVTDRJPHH-CYBMUJFWSA-N 0 1 250.411 3.772 20 0 CHADMN CC(C)[C@@H](NC[C@H](O)C(F)(F)F)c1ccccc1Cl ZINC000120517713 1118130367 /nfs/dbraw/zinc/13/03/67/1118130367.db2.gz GRXHWUGYIALJGC-NWDGAFQWSA-N 0 1 295.732 3.550 20 0 CHADMN Cc1ccc(C[N@H+](Cc2ccco2)C[C@H](O)C(C)C)s1 ZINC000340284772 1118132378 /nfs/dbraw/zinc/13/23/78/1118132378.db2.gz JWDHMSAVEVILIG-INIZCTEOSA-N 0 1 293.432 3.669 20 0 CHADMN Cc1ccc(CN(Cc2ccco2)C[C@H](O)C(C)C)s1 ZINC000340284772 1118132381 /nfs/dbraw/zinc/13/23/81/1118132381.db2.gz JWDHMSAVEVILIG-INIZCTEOSA-N 0 1 293.432 3.669 20 0 CHADMN CC(C)Oc1cccc(CN[C@H](C)c2cncs2)c1 ZINC000765093791 1118133897 /nfs/dbraw/zinc/13/38/97/1118133897.db2.gz CGZJGXCXBUCSCX-GFCCVEGCSA-N 0 1 276.405 3.781 20 0 CHADMN CCCCN(C)Cc1ccc(C)cc1Br ZINC001137802946 1118139332 /nfs/dbraw/zinc/13/93/32/1118139332.db2.gz QNZVNDOIFCAIHJ-UHFFFAOYSA-N 0 1 270.214 3.989 20 0 CHADMN O=C(Nc1cccc2ccsc21)c1cccc(F)c1O ZINC001266490573 1118146997 /nfs/dbraw/zinc/14/69/97/1118146997.db2.gz PFGFRKGANBBONY-UHFFFAOYSA-N 0 1 287.315 3.998 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H](C(=O)[O-])[C@H]2C)cc1 ZINC000092942264 1118151934 /nfs/dbraw/zinc/15/19/34/1118151934.db2.gz DOOCUKYAFPRVHL-ZENOOKHLSA-N 0 1 275.392 3.666 20 0 CHADMN COc1cc(C)ccc1Nc1cc2cn[nH]c2cc1C ZINC001210102476 1118152630 /nfs/dbraw/zinc/15/26/30/1118152630.db2.gz OELMIHVTYMWBOT-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN CSc1ccc(CNCc2ccc(F)nc2C)cc1 ZINC000785433443 1118154721 /nfs/dbraw/zinc/15/47/21/1118154721.db2.gz FMJWVHQOHKEHBM-UHFFFAOYSA-N 0 1 276.380 3.541 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](Cc2ccsc2C(=O)[O-])CC1 ZINC000079349436 1118166132 /nfs/dbraw/zinc/16/61/32/1118166132.db2.gz KISRKJXJZKQWBA-LBPRGKRZSA-N 0 1 281.421 3.704 20 0 CHADMN CC(C)[C@H](NCCc1cccs1)c1nc(C2CC2)no1 ZINC000179802551 1128759999 /nfs/dbraw/zinc/75/99/99/1128759999.db2.gz IRWMMGDQTFDVHM-ZDUSSCGKSA-N 0 1 291.420 3.538 20 0 CHADMN Cc1ccc2nc([C@@H]3CCC[N@H+](C/C=C\Cl)C3)[nH]c2c1 ZINC000255070636 1118177138 /nfs/dbraw/zinc/17/71/38/1118177138.db2.gz QQOLKRIMQUMYEF-RBWDJNPFSA-N 0 1 289.810 3.803 20 0 CHADMN Cc1ccc2nc([C@@H]3CCC[N@@H+](C/C=C\Cl)C3)[nH]c2c1 ZINC000255070636 1118177141 /nfs/dbraw/zinc/17/71/41/1118177141.db2.gz QQOLKRIMQUMYEF-RBWDJNPFSA-N 0 1 289.810 3.803 20 0 CHADMN CCCCCCN[C@H](c1nc(C2CC2)no1)C(C)C ZINC000179806460 1128760776 /nfs/dbraw/zinc/76/07/76/1128760776.db2.gz JMLUMCYSMVIRRS-ZDUSSCGKSA-N 0 1 265.401 3.814 20 0 CHADMN Cc1ccc(-c2nnc(CN3C[C@H](C)C[C@@H](C)C3)o2)cc1 ZINC000046502173 1118180692 /nfs/dbraw/zinc/18/06/92/1118180692.db2.gz FBMHXGKOCOMPKO-ZIAGYGMSSA-N 0 1 285.391 3.523 20 0 CHADMN C[C@H]1CC[C@@H](NCc2cc(-c3ccccc3)on2)CS1 ZINC000655704338 1118188364 /nfs/dbraw/zinc/18/83/64/1118188364.db2.gz BAQHDUNBMWRGCY-GXTWGEPZSA-N 0 1 288.416 3.715 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@H]2CCCn3ccnc32)c1 ZINC000655712465 1118190266 /nfs/dbraw/zinc/19/02/66/1118190266.db2.gz OBRDITMQRNMCAU-ZBFHGGJFSA-N 0 1 269.392 3.686 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2coc(-c3ccccc3)n2)CS1 ZINC000655720571 1118192344 /nfs/dbraw/zinc/19/23/44/1118192344.db2.gz ZNCMTRPBHNSGSP-TZMCWYRMSA-N 0 1 288.416 3.715 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1ccnc(OC)c1)c1ccccn1 ZINC000655707965 1118192348 /nfs/dbraw/zinc/19/23/48/1118192348.db2.gz BVRIZFSMCNLTGS-XJKSGUPXSA-N 0 1 285.391 3.677 20 0 CHADMN C[C@H]1CC[C@H](NCc2csc(-c3ccco3)n2)CS1 ZINC000655724063 1118193218 /nfs/dbraw/zinc/19/32/18/1118193218.db2.gz RPHMMIKCVVYQMZ-QWRGUYRKSA-N 0 1 294.445 3.777 20 0 CHADMN CC(C)c1csc(CN[C@@H]2CC[C@H](C)SC2)n1 ZINC000655723347 1118193816 /nfs/dbraw/zinc/19/38/16/1118193816.db2.gz JQFGATHRANISAR-WDEREUQCSA-N 0 1 270.467 3.640 20 0 CHADMN Fc1ccc([C@H]2CCN(Cc3cccnc3Cl)C2)cc1 ZINC000755997744 1118195657 /nfs/dbraw/zinc/19/56/57/1118195657.db2.gz YESUUCUPVQNMSI-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN c1cn2c(n1)[C@@H](NCc1ccc(C3CCC3)cc1)CCC2 ZINC000655758568 1118204647 /nfs/dbraw/zinc/20/46/47/1118204647.db2.gz AXNHJAQSUKRMNQ-KRWDZBQOSA-N 0 1 281.403 3.775 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1ccnn1C1CCC1 ZINC000921612348 1118205325 /nfs/dbraw/zinc/20/53/25/1118205325.db2.gz BSADHNFHYIJUKZ-KRWDZBQOSA-N 0 1 285.366 3.524 20 0 CHADMN C[C@@H](NCc1cccc2c1OCC2)c1cccc(F)c1 ZINC000693111664 1118207583 /nfs/dbraw/zinc/20/75/83/1118207583.db2.gz GWVAVCXZYKPIRV-GFCCVEGCSA-N 0 1 271.335 3.611 20 0 CHADMN Cc1cc(CNC2(c3cccc(C)c3)CCCC2)on1 ZINC000172150802 1118212106 /nfs/dbraw/zinc/21/21/06/1118212106.db2.gz RNPQWFHKTMLCCL-UHFFFAOYSA-N 0 1 270.376 3.851 20 0 CHADMN CC[C@@H](NCc1ccc2c(c1)ncn2C)c1ccccc1F ZINC000655805540 1118215517 /nfs/dbraw/zinc/21/55/17/1118215517.db2.gz IRTIRPHENXUXGU-MRXNPFEDSA-N 0 1 297.377 3.953 20 0 CHADMN COc1c(C)cccc1CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000655810599 1118220302 /nfs/dbraw/zinc/22/03/02/1118220302.db2.gz MWFMACPTDQCXCW-CYBMUJFWSA-N 0 1 299.370 3.583 20 0 CHADMN CC(C)CC1(C(=O)NCc2ccc3nc[nH]c3c2)CCCC1 ZINC000615789501 1128763730 /nfs/dbraw/zinc/76/37/30/1128763730.db2.gz KAYTUIXPUZNCGY-UHFFFAOYSA-N 0 1 299.418 3.786 20 0 CHADMN CCN(Cc1cc2ccccc2o1)Cc1ccncc1 ZINC000033923174 1118227345 /nfs/dbraw/zinc/22/73/45/1118227345.db2.gz DZJYMKZJBNZRRH-UHFFFAOYSA-N 0 1 266.344 3.850 20 0 CHADMN COc1ccc(-c2cnc(CN3CCCC[C@H]3C)o2)cc1 ZINC000041362514 1118230458 /nfs/dbraw/zinc/23/04/58/1118230458.db2.gz CJSSPTAYBHPJSZ-CYBMUJFWSA-N 0 1 286.375 3.725 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1cnn(C2CCC2)c1 ZINC000921622164 1118230997 /nfs/dbraw/zinc/23/09/97/1118230997.db2.gz RHGFJIUHYAKHCF-CQSZACIVSA-N 0 1 299.418 3.858 20 0 CHADMN C=Cc1ccc(CNc2nc(C)cc(NC3CC3)n2)cc1 ZINC001168572039 1118231381 /nfs/dbraw/zinc/23/13/81/1118231381.db2.gz MHBBQASUVKNZDY-UHFFFAOYSA-N 0 1 280.375 3.614 20 0 CHADMN C[C@@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(Cl)s1 ZINC000655840549 1118235057 /nfs/dbraw/zinc/23/50/57/1118235057.db2.gz ZVBAPHUEVVJDSU-LYSGOOTNSA-N 0 1 293.819 3.710 20 0 CHADMN C[C@H]1Cc2ccccc2[C@H]1NCc1noc2ccccc21 ZINC000655854503 1118243548 /nfs/dbraw/zinc/24/35/48/1118243548.db2.gz DNVGAXOICOGWIP-SGTLLEGYSA-N 0 1 278.355 3.851 20 0 CHADMN Fc1ccc(COc2cccc(NCc3cnc[nH]3)c2)cc1 ZINC001648841507 1118250601 /nfs/dbraw/zinc/25/06/01/1118250601.db2.gz WRBLZANYDBTNBA-UHFFFAOYSA-N 0 1 297.333 3.740 20 0 CHADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C1CCC1 ZINC000615812157 1128765520 /nfs/dbraw/zinc/76/55/20/1128765520.db2.gz GAOPQTCPXVQCNN-SECBINFHSA-N 0 1 291.782 3.536 20 0 CHADMN Cc1csc(CN(C)C[C@@H](C)c2ccccc2)n1 ZINC000172400402 1118251608 /nfs/dbraw/zinc/25/16/08/1118251608.db2.gz DBZPSSCCUMQLCV-GFCCVEGCSA-N 0 1 260.406 3.687 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1CC(C)(C)Cc2occc21 ZINC000340441436 1118252140 /nfs/dbraw/zinc/25/21/40/1118252140.db2.gz XKVUIONBPYYHSZ-OAHLLOKOSA-N 0 1 288.391 3.942 20 0 CHADMN C[C@H](F)CCN[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000340456967 1118261737 /nfs/dbraw/zinc/26/17/37/1118261737.db2.gz AROXFLXJHFDILI-LRDDRELGSA-N 0 1 276.330 3.648 20 0 CHADMN C[C@@]1(CNc2ccncc2C(F)(F)F)CC1(Cl)Cl ZINC001651860020 1118267678 /nfs/dbraw/zinc/26/76/78/1118267678.db2.gz ACRXWUKHGRRHJM-VIFPVBQESA-N 0 1 299.123 3.518 20 0 CHADMN Cc1ccc(CNCc2cc(C)cc(Cl)n2)s1 ZINC000282158281 1118270542 /nfs/dbraw/zinc/27/05/42/1118270542.db2.gz XMXJIKFOLWXPPD-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN CCc1ccc(CNCc2c(C)cc(C)nc2OC)cc1 ZINC000067011708 1118271108 /nfs/dbraw/zinc/27/11/08/1118271108.db2.gz VNDKGEQGEALYNT-UHFFFAOYSA-N 0 1 284.403 3.559 20 0 CHADMN CCCCOc1cccc(CNCc2ccc(F)nc2)c1 ZINC000188993504 1128766949 /nfs/dbraw/zinc/76/69/49/1128766949.db2.gz WWBIKILLZCSZGA-UHFFFAOYSA-N 0 1 288.366 3.689 20 0 CHADMN C[C@H]1CCN(Cc2cc(F)ccc2Cl)C[C@H]1C ZINC001652915570 1118276148 /nfs/dbraw/zinc/27/61/48/1118276148.db2.gz XQHJMNYGSZSACY-WDEREUQCSA-N 0 1 255.764 3.957 20 0 CHADMN Cc1cc(C)cc(OCCNCc2ccc(Cl)o2)c1 ZINC000057621471 1118281895 /nfs/dbraw/zinc/28/18/95/1118281895.db2.gz HPRPRSMBKQGJKN-UHFFFAOYSA-N 0 1 279.767 3.718 20 0 CHADMN Cc1[nH]c(SC[C@@H]2CCCO2)nc1Cc1ccccc1 ZINC000057650949 1118282921 /nfs/dbraw/zinc/28/29/21/1118282921.db2.gz PCANFXOCWRFEQF-AWEZNQCLSA-N 0 1 288.416 3.580 20 0 CHADMN C[C@H]1CC(C)(C)C[C@@H]1Nc1cnn(-c2ccncc2)c1 ZINC000683692608 1118288352 /nfs/dbraw/zinc/28/83/52/1118288352.db2.gz JIBDRMKXNLEHGA-WFASDCNBSA-N 0 1 270.380 3.504 20 0 CHADMN CCO[C@H]1CCCN(Cc2ccc(C)c(Cl)c2)C1 ZINC000683694673 1118290844 /nfs/dbraw/zinc/29/08/44/1118290844.db2.gz CGCKFNXGYOEOGV-AWEZNQCLSA-N 0 1 267.800 3.649 20 0 CHADMN COc1cccc(OC)c1CNCc1cc(C)sc1C ZINC000671715866 1118295004 /nfs/dbraw/zinc/29/50/04/1118295004.db2.gz KKVPALJAJODDRK-UHFFFAOYSA-N 0 1 291.416 3.672 20 0 CHADMN Cc1ccccc1C(C)(C)N[C@@H](c1nccn1C)C1CC1 ZINC000639211485 1118304903 /nfs/dbraw/zinc/30/49/03/1118304903.db2.gz TZURXEGOPIVWAY-MRXNPFEDSA-N 0 1 283.419 3.705 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc([C@@H](C)O)cc2)oc1C ZINC000282244706 1118306622 /nfs/dbraw/zinc/30/66/22/1118306622.db2.gz QDKQBDRTCSEMPN-CHWSQXEVSA-N 0 1 273.376 3.801 20 0 CHADMN Clc1ccccc1-c1noc([C@H]2CCCCCN2)n1 ZINC000080989218 1118306673 /nfs/dbraw/zinc/30/66/73/1118306673.db2.gz JMTGYMHUZQZJEN-GFCCVEGCSA-N 0 1 277.755 3.595 20 0 CHADMN CC(C)(C)C[C@H]1CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000061527210 1118307197 /nfs/dbraw/zinc/30/71/97/1118307197.db2.gz ZZGAKJQIONRIDE-GFCCVEGCSA-N 0 1 285.391 3.604 20 0 CHADMN COc1ccc(CN(C)Cc2cc(C)cc(C)c2)c(OC)c1 ZINC000061778751 1118309299 /nfs/dbraw/zinc/30/92/99/1118309299.db2.gz JIBRFCAJSHVPFW-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN COc1ccc(CN(Cc2ccccc2F)C2CC2)cc1 ZINC000061785425 1118309495 /nfs/dbraw/zinc/30/94/95/1118309495.db2.gz GTAYHMGWTHOMLV-UHFFFAOYSA-N 0 1 285.362 3.999 20 0 CHADMN Cc1ccc2c(c1C)OC[C@H]2N[C@H](C)c1cccc(O)c1 ZINC000282255947 1118311476 /nfs/dbraw/zinc/31/14/76/1118311476.db2.gz JTFGUNZNETWYAS-CXAGYDPISA-N 0 1 283.371 3.793 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]1F)CCS2 ZINC000340521051 1118314642 /nfs/dbraw/zinc/31/46/42/1118314642.db2.gz BHTVNOOMQDZWJP-MGPQQGTHSA-N 0 1 281.396 3.712 20 0 CHADMN Cc1ccc(-c2nnc(CN3CCC4(CCC4)CC3)o2)cc1 ZINC000671729515 1118315141 /nfs/dbraw/zinc/31/51/41/1118315141.db2.gz ORPIYTJITJPQNL-UHFFFAOYSA-N 0 1 297.402 3.811 20 0 CHADMN O=C(CN1CCC2(CCC2)CC1)Nc1ccc(Cl)cc1 ZINC000671729356 1118315555 /nfs/dbraw/zinc/31/55/55/1118315555.db2.gz FPZZNOPOGSMWSY-UHFFFAOYSA-N 0 1 292.810 3.545 20 0 CHADMN CCc1ccc(-c2noc(CN3CCC[C@@H](C)CC3)n2)cc1 ZINC000063308768 1118315803 /nfs/dbraw/zinc/31/58/03/1118315803.db2.gz CLGNJZNKVKEAEI-CQSZACIVSA-N 0 1 299.418 3.921 20 0 CHADMN CCO[C@@H](CCN[C@H](C)c1cc(C)on1)C1CCCC1 ZINC000340519970 1118316019 /nfs/dbraw/zinc/31/60/19/1118316019.db2.gz SUQFFMLOZFDMHY-CJNGLKHVSA-N 0 1 280.412 3.619 20 0 CHADMN F[C@@H]1CCC[C@H]1N[C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000340525030 1118316816 /nfs/dbraw/zinc/31/68/16/1118316816.db2.gz DLQHLPSEDLQKMK-BRWVUGGUSA-N 0 1 289.394 3.869 20 0 CHADMN CCCCCc1ccc(NC(=O)CN(CC)CC)cc1 ZINC000063701681 1118319330 /nfs/dbraw/zinc/31/93/30/1118319330.db2.gz JSPVDEYWLIRBJK-UHFFFAOYSA-N 0 1 276.424 3.700 20 0 CHADMN CCCCCN(Cc1nc(CC(C)C)no1)C(C)C ZINC000047627989 1118322944 /nfs/dbraw/zinc/32/29/44/1118322944.db2.gz JSKVRTYFHCHRMU-UHFFFAOYSA-N 0 1 267.417 3.669 20 0 CHADMN Cc1nc(CN2CCC(c3ccccc3)CC2)oc1C ZINC000064140263 1118323501 /nfs/dbraw/zinc/32/35/01/1118323501.db2.gz JBIBXEIGADPWLM-UHFFFAOYSA-N 0 1 270.376 3.671 20 0 CHADMN Fc1cccc(F)c1C1(N[C@H]2COC3(CCC3)C2)CCC1 ZINC000624345608 1118324070 /nfs/dbraw/zinc/32/40/70/1118324070.db2.gz OKSTUDSKJVIZBD-GFCCVEGCSA-N 0 1 293.357 3.645 20 0 CHADMN Cc1scc(CN[C@@H](C)c2cncs2)c1C ZINC000399817146 1118324360 /nfs/dbraw/zinc/32/43/60/1118324360.db2.gz RFJBHVXHSWTSNZ-VIFPVBQESA-N 0 1 252.408 3.672 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2occc21)c1ccc2[nH]c(=O)oc2c1 ZINC000671740781 1118329596 /nfs/dbraw/zinc/32/95/96/1118329596.db2.gz DPAUYMDULRMDGW-ZWNOBZJWSA-N 0 1 298.342 3.855 20 0 CHADMN CC[C@H](C[C@@H](C)CC)NCc1ncn(-c2ccccc2)n1 ZINC000340537642 1118333984 /nfs/dbraw/zinc/33/39/84/1118333984.db2.gz VUROUFRASGDDFN-LSDHHAIUSA-N 0 1 286.423 3.572 20 0 CHADMN CCN(Cc1ccc(F)nc1)[C@H](C)c1cccc(OC)c1 ZINC000189299810 1128770953 /nfs/dbraw/zinc/77/09/53/1128770953.db2.gz MKHKAKNWDGAVEK-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN c1[nH]nc2c1CN(Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000091078066 1118343535 /nfs/dbraw/zinc/34/35/35/1118343535.db2.gz MGJUCOGJUDOAOJ-UHFFFAOYSA-N 0 1 289.382 3.635 20 0 CHADMN CC(C)O[C@H](CN[C@H]1C[C@@H](C)n2ccnc21)c1ccccc1 ZINC000639247307 1118349991 /nfs/dbraw/zinc/34/99/91/1118349991.db2.gz IIIBSHKFWIXIIR-HYVNUMGLSA-N 0 1 299.418 3.645 20 0 CHADMN Cc1nc([C@H](C)S[C@@H](C)c2ccc(F)cc2)n[nH]1 ZINC000412992515 1118351026 /nfs/dbraw/zinc/35/10/26/1118351026.db2.gz MQYXAOSOLWPVOW-IUCAKERBSA-N 0 1 265.357 3.808 20 0 CHADMN Cc1occc1CNCc1ccc(OC(C)C)cc1 ZINC000067217823 1118351653 /nfs/dbraw/zinc/35/16/53/1118351653.db2.gz SLSUNOCYSACMPR-UHFFFAOYSA-N 0 1 259.349 3.665 20 0 CHADMN CCOC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])C(C)C ZINC000189351567 1128771880 /nfs/dbraw/zinc/77/18/80/1128771880.db2.gz AKUAINPTPIFVRX-BXUZGUMPSA-N 0 1 285.815 3.757 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2n[nH]c(C(C)C)n2)c(Cl)c1 ZINC000565484728 1118354321 /nfs/dbraw/zinc/35/43/21/1118354321.db2.gz APNZLPPSCYEBFY-NSHDSACASA-N 0 1 292.814 3.741 20 0 CHADMN Cc1cscc1CNCc1ncccc1C(F)(F)F ZINC000683776694 1118357428 /nfs/dbraw/zinc/35/74/28/1118357428.db2.gz WAAPQWRUULKCAN-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN COc1ccc(Br)cc1CN1[C@H](C)CC[C@@H]1C ZINC000706443538 1118373812 /nfs/dbraw/zinc/37/38/12/1118373812.db2.gz NQSYEHMMLHXJEG-PHIMTYICSA-N 0 1 298.224 3.831 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2C[C@H](C)[C@H](C)C2)c(Cl)c1 ZINC000072873371 1118377022 /nfs/dbraw/zinc/37/70/22/1118377022.db2.gz WNNUGAGXBKYPAF-XQQFMLRXSA-N 0 1 294.826 3.563 20 0 CHADMN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCC1CCCCCC1 ZINC000394530538 1118379935 /nfs/dbraw/zinc/37/99/35/1118379935.db2.gz JNFSSJNYCGJLJC-PMPSAXMXSA-N 0 1 279.424 3.532 20 0 CHADMN CC(C)(C)C[N@@H+](CCC#N)Cc1cccc(Cl)c1[O-] ZINC000180059799 1128773896 /nfs/dbraw/zinc/77/38/96/1128773896.db2.gz XNMBGGDKYOJAHO-UHFFFAOYSA-N 0 1 280.799 3.807 20 0 CHADMN CCCC[C@@H](CC)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000073966563 1118385467 /nfs/dbraw/zinc/38/54/67/1118385467.db2.gz DXQPKPBJDIEFIV-KGLIPLIRSA-N 0 1 296.480 3.683 20 0 CHADMN Clc1ccc(C2(NCc3cnc4ccccn34)CC2)cc1 ZINC000112204060 1118392480 /nfs/dbraw/zinc/39/24/80/1118392480.db2.gz DFKYOWRILMDVLQ-UHFFFAOYSA-N 0 1 297.789 3.767 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)CN(CC1(C)CC1)CC3 ZINC000683826870 1118392792 /nfs/dbraw/zinc/39/27/92/1118392792.db2.gz WBOTUXALJJFJAK-UHFFFAOYSA-N 0 1 254.377 3.635 20 0 CHADMN COc1ccsc1[C@H](C)N[C@H](c1cccnc1)C1CC1 ZINC000349301601 1118399234 /nfs/dbraw/zinc/39/92/34/1118399234.db2.gz XIDXKOJJDSNHMZ-NHYWBVRUSA-N 0 1 288.416 3.954 20 0 CHADMN CCCC1CCC(N(C)Cc2snnc2C)CC1 ZINC000580201667 1118400554 /nfs/dbraw/zinc/40/05/54/1118400554.db2.gz YMGXEVWGZIYUME-UHFFFAOYSA-N 0 1 267.442 3.637 20 0 CHADMN Clc1cccc(C2(NCc3cnc4ccccn34)CC2)c1 ZINC000124431950 1118400639 /nfs/dbraw/zinc/40/06/39/1118400639.db2.gz LRHCHESNNKALNQ-UHFFFAOYSA-N 0 1 297.789 3.767 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccn(CC)c2)cc1F ZINC000683840515 1118404975 /nfs/dbraw/zinc/40/49/75/1118404975.db2.gz FZCSZNUWZZUUHG-UHFFFAOYSA-N 0 1 290.382 3.678 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@@H](CO)c2ccsc2)cc1 ZINC000349313666 1118421460 /nfs/dbraw/zinc/42/14/60/1118421460.db2.gz PFEHYVYEBPSRAF-WBMJQRKESA-N 0 1 291.416 3.531 20 0 CHADMN Cc1cc(C)cc([C@@H]2CC[N@@H+](Cc3ccc(F)nc3)C2)c1 ZINC000189570343 1128776344 /nfs/dbraw/zinc/77/63/44/1128776344.db2.gz QRWKWPYMELRPGT-MRXNPFEDSA-N 0 1 284.378 3.827 20 0 CHADMN Cc1cc(C)cc([C@H]2CC[N@@H+](Cc3ccc(F)nc3)C2)c1 ZINC000189570357 1128776407 /nfs/dbraw/zinc/77/64/07/1128776407.db2.gz QRWKWPYMELRPGT-INIZCTEOSA-N 0 1 284.378 3.827 20 0 CHADMN CCn1cnc(Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC001210928041 1118425482 /nfs/dbraw/zinc/42/54/82/1118425482.db2.gz YFQQAWILVSIZLD-UHFFFAOYSA-N 0 1 272.135 3.659 20 0 CHADMN CCN(Cc1oc(C)nc1C)[C@@H](C)c1cccc(OC)c1 ZINC000683897818 1118432862 /nfs/dbraw/zinc/43/28/62/1118432862.db2.gz CJOKPMBBWDPAAQ-ZDUSSCGKSA-N 0 1 288.391 3.883 20 0 CHADMN Cc1nc(C)c(CN[C@@H](C)c2cccc(C)c2C)o1 ZINC000683900373 1118433981 /nfs/dbraw/zinc/43/39/81/1118433981.db2.gz UUEFEKLEKZTKDG-LBPRGKRZSA-N 0 1 258.365 3.759 20 0 CHADMN C=C(Nc1cncc(Br)c1)c1ccccc1 ZINC001210981795 1118434240 /nfs/dbraw/zinc/43/42/40/1118434240.db2.gz STHNKQZQZVDKCD-UHFFFAOYSA-N 0 1 275.149 3.927 20 0 CHADMN CCOc1ccc(N)cc1N=C(C)c1ccccc1 ZINC001210989165 1118434924 /nfs/dbraw/zinc/43/49/24/1118434924.db2.gz HJXPCDBKPJFNPE-UHFFFAOYSA-N 0 1 254.333 3.750 20 0 CHADMN Cc1cnc(C[N@H+]2C[C@H](c3ccccc3)CC2(C)C)o1 ZINC000932898829 1118441605 /nfs/dbraw/zinc/44/16/05/1118441605.db2.gz PFIQXJNXLLBPQH-OAHLLOKOSA-N 0 1 270.376 3.751 20 0 CHADMN FC(F)c1ccc(C[N@H+]2CCCC(F)(F)CC2)cn1 ZINC000639348232 1118443984 /nfs/dbraw/zinc/44/39/84/1118443984.db2.gz CZTFOUKHKRXDNR-UHFFFAOYSA-N 0 1 276.277 3.640 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](c2ccncc2)C1 ZINC000580396560 1118444996 /nfs/dbraw/zinc/44/49/96/1118444996.db2.gz PHKVWLFBWPWANS-DZGCQCFKSA-N 0 1 299.418 3.918 20 0 CHADMN COc1ccc(C(C)(C)NCc2cc(C)ns2)cc1F ZINC000639349875 1118448139 /nfs/dbraw/zinc/44/81/39/1118448139.db2.gz SUGCAKDSTCAHFF-UHFFFAOYSA-N 0 1 294.395 3.624 20 0 CHADMN COCC[C@@H](NCc1cc2ccccc2[nH]1)c1ccc(C)o1 ZINC000683929792 1118448528 /nfs/dbraw/zinc/44/85/28/1118448528.db2.gz DWFNQHKEYAQIOX-QGZVFWFLSA-N 0 1 298.386 3.937 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000263147839 1118475201 /nfs/dbraw/zinc/47/52/01/1118475201.db2.gz FCVPZNCPMMBFAV-KEYYUXOJSA-N 0 1 289.419 3.914 20 0 CHADMN C[C@@]1(Cc2cc(Cl)cs2)CCCN1Cc1c[nH]cn1 ZINC000932918919 1118475229 /nfs/dbraw/zinc/47/52/29/1118475229.db2.gz MGZBISNIANYGLE-AWEZNQCLSA-N 0 1 295.839 3.722 20 0 CHADMN CCCCOc1ncccc1CNCc1csc(C)c1 ZINC000449106392 1118476250 /nfs/dbraw/zinc/47/62/50/1118476250.db2.gz LROYDHZIOSTBPI-UHFFFAOYSA-N 0 1 290.432 3.920 20 0 CHADMN CC1(F)CCN(Cc2cnc(-c3ccco3)s2)CC1 ZINC000639389147 1118482458 /nfs/dbraw/zinc/48/24/58/1118482458.db2.gz QVUHZGAZJMMUCR-UHFFFAOYSA-N 0 1 280.368 3.727 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cc2c([nH]1)CCCC2 ZINC000568473198 1118482842 /nfs/dbraw/zinc/48/28/42/1118482842.db2.gz ZZXYRJXJMZEGIA-UHFFFAOYSA-N 0 1 290.750 3.505 20 0 CHADMN FC(F)(F)CCN1CCS[C@@H](c2ccccc2)C1 ZINC000077317773 1118486447 /nfs/dbraw/zinc/48/64/47/1118486447.db2.gz YGDGAVIBPUGYRW-GFCCVEGCSA-N 0 1 275.339 3.729 20 0 CHADMN Cn1cncc1Nc1c(Cl)cnc(Cl)c1Cl ZINC001211247231 1118487500 /nfs/dbraw/zinc/48/75/00/1118487500.db2.gz PGXDMEJLHOSVHS-UHFFFAOYSA-N 0 1 277.542 3.519 20 0 CHADMN Cn1cncc1Nc1cccc(COc2ccccc2)c1 ZINC001211250047 1118487751 /nfs/dbraw/zinc/48/77/51/1118487751.db2.gz FTQKJACQFQYQGX-UHFFFAOYSA-N 0 1 279.343 3.743 20 0 CHADMN COc1cnccc1Nc1ccc(Cl)c(Cl)c1 ZINC001211262560 1118491749 /nfs/dbraw/zinc/49/17/49/1118491749.db2.gz GLPSBOICFMDQLT-UHFFFAOYSA-N 0 1 269.131 3.563 20 0 CHADMN CS[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc(F)c2F)C1 ZINC000075921750 1118496090 /nfs/dbraw/zinc/49/60/90/1118496090.db2.gz ZTXVWPHHIOYORP-NEPJUHHUSA-N 0 1 271.376 3.681 20 0 CHADMN Cc1ccccc1[C@@H](C)[N@H+](Cc1ccnn1C)CC(C)C ZINC000580730162 1118496593 /nfs/dbraw/zinc/49/65/93/1118496593.db2.gz UQXIMZIPCRUAKE-MRXNPFEDSA-N 0 1 285.435 3.948 20 0 CHADMN C[C@@H](Cc1ccc(F)cc1)N[C@H]1CCCCC1(F)F ZINC000398194033 1118497934 /nfs/dbraw/zinc/49/79/34/1118497934.db2.gz LAKOHSHGNUMTKH-FZMZJTMJSA-N 0 1 271.326 3.924 20 0 CHADMN C[C@@H](Cc1ccc(F)cc1)N[C@@H]1CCCCC1(F)F ZINC000398194037 1118498113 /nfs/dbraw/zinc/49/81/13/1118498113.db2.gz LAKOHSHGNUMTKH-SMDDNHRTSA-N 0 1 271.326 3.924 20 0 CHADMN COc1cc(C)nc(CN[C@H](C)c2cccc(Cl)c2)c1 ZINC000214076201 1118505532 /nfs/dbraw/zinc/50/55/32/1118505532.db2.gz ZOXHVXNOVFSNFQ-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN Oc1cc(F)c(-c2cc3[nH]ccc3cc2F)cc1F ZINC001211339943 1118505629 /nfs/dbraw/zinc/50/56/29/1118505629.db2.gz QNQZCSJYPNVJER-UHFFFAOYSA-N 0 1 263.218 3.958 20 0 CHADMN CCC(=O)Nc1cccc(CN[C@H](C)c2cccc(O)c2)c1 ZINC000580812810 1118507806 /nfs/dbraw/zinc/50/78/06/1118507806.db2.gz WZBJBGRZBSJVAB-CYBMUJFWSA-N 0 1 298.386 3.592 20 0 CHADMN CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])oc1C ZINC000580838725 1118512675 /nfs/dbraw/zinc/51/26/75/1118512675.db2.gz SIFROIVHHCAFKR-AWEZNQCLSA-N 0 1 279.380 3.687 20 0 CHADMN Cc1ccc(F)cc1CN1CC(C)(C)OCC1(C)C ZINC001167438972 1118522301 /nfs/dbraw/zinc/52/23/01/1118522301.db2.gz RWHWDARPWSVQLS-UHFFFAOYSA-N 0 1 265.372 3.524 20 0 CHADMN CCCN(Cc1ccccc1)Cc1c(N)cccc1F ZINC000109427246 1118522481 /nfs/dbraw/zinc/52/24/81/1118522481.db2.gz DTULJIXNAASBCW-UHFFFAOYSA-N 0 1 272.367 3.820 20 0 CHADMN COc1cc(C)cc(CNCc2ccccc2Cl)c1 ZINC000127326482 1118527109 /nfs/dbraw/zinc/52/71/09/1118527109.db2.gz UVBQGPCCNDEAKA-UHFFFAOYSA-N 0 1 275.779 3.947 20 0 CHADMN CCCN[C@@H](C)c1nc([C@@H]2CCCc3ccccc32)no1 ZINC000109514986 1118528985 /nfs/dbraw/zinc/52/89/85/1118528985.db2.gz GJVHWRUPLFVDAD-SWLSCSKDSA-N 0 1 285.391 3.598 20 0 CHADMN COc1ccc(CN2CC[C@](F)(c3ccccc3)C2)cc1 ZINC000580964698 1118531320 /nfs/dbraw/zinc/53/13/20/1118531320.db2.gz LCKLVGHEYGZNJK-GOSISDBHSA-N 0 1 285.362 3.766 20 0 CHADMN c1ccc2c(c1)Oc1ccccc1C2N[C@H]1CCCOC1 ZINC000109544544 1118531343 /nfs/dbraw/zinc/53/13/43/1118531343.db2.gz CZOOYWRYVIVGGD-ZDUSSCGKSA-N 0 1 281.355 3.650 20 0 CHADMN CC(C)C[C@@H]1CCN(Cc2cccc(Br)n2)C1 ZINC000307823430 1118537040 /nfs/dbraw/zinc/53/70/40/1118537040.db2.gz DLIIOUBRAUVJMC-LBPRGKRZSA-N 0 1 297.240 3.712 20 0 CHADMN CCCC[C@H](C)[N@@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000352413901 1118538269 /nfs/dbraw/zinc/53/82/69/1118538269.db2.gz CQWFKKKVXJRRBE-LBPRGKRZSA-N 0 1 290.436 3.611 20 0 CHADMN CCCC[C@H](C)N(C)Cc1csc(-c2ncccn2)n1 ZINC000352413901 1118538273 /nfs/dbraw/zinc/53/82/73/1118538273.db2.gz CQWFKKKVXJRRBE-LBPRGKRZSA-N 0 1 290.436 3.611 20 0 CHADMN CN(Cc1cc2ccc(F)cc2[nH]1)Cc1ccc(O)cc1 ZINC000349366593 1118540663 /nfs/dbraw/zinc/54/06/63/1118540663.db2.gz JUEXCFXUGGDEOK-UHFFFAOYSA-N 0 1 284.334 3.645 20 0 CHADMN C[C@@H](O)C[C@H]1CCCCN1Cc1cscc1Cl ZINC000684148481 1118541297 /nfs/dbraw/zinc/54/12/97/1118541297.db2.gz NBMIDEGDLHLEBX-ZYHUDNBSSA-N 0 1 273.829 3.527 20 0 CHADMN CC(C)Cc1cccc([C@@H](C)c2nc([C@@H]3CCCN3)no2)c1 ZINC000647145325 1118546328 /nfs/dbraw/zinc/54/63/28/1118546328.db2.gz SKFYKAGDAFEUIU-CJNGLKHVSA-N 0 1 299.418 3.844 20 0 CHADMN CC(C)CC(CC(C)C)c1nc([C@H]2CCCN2)no1 ZINC000647145502 1118546600 /nfs/dbraw/zinc/54/66/00/1118546600.db2.gz XHYZTJIOHMABEA-CYBMUJFWSA-N 0 1 265.401 3.670 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cncn1C(C)C ZINC000644901230 1118551542 /nfs/dbraw/zinc/55/15/42/1118551542.db2.gz OXBBWNRHRBPVTG-GOSISDBHSA-N 0 1 283.419 3.973 20 0 CHADMN CC(C)Cn1cc(CN2CCC[C@@H]2c2ccsc2)cn1 ZINC000340909342 1118551751 /nfs/dbraw/zinc/55/17/51/1118551751.db2.gz FULIDBMLILELOT-MRXNPFEDSA-N 0 1 289.448 3.938 20 0 CHADMN Cc1ccc(C2(NCc3cc(CO)ccc3F)CCC2)cc1 ZINC000625509901 1118562270 /nfs/dbraw/zinc/56/22/70/1118562270.db2.gz WVNYILNBWWKMBH-UHFFFAOYSA-N 0 1 299.389 3.795 20 0 CHADMN CC[C@H](O)CCCNCc1c(Cl)cccc1Cl ZINC000398471238 1118562304 /nfs/dbraw/zinc/56/23/04/1118562304.db2.gz PWGAYUPDMCFVFZ-JTQLQIEISA-N 0 1 276.207 3.634 20 0 CHADMN C[C@H](NC[C@@H]1CCCCC1(F)F)c1cscn1 ZINC000296240995 1118563887 /nfs/dbraw/zinc/56/38/87/1118563887.db2.gz AVOGASPDRWJTJP-UWVGGRQHSA-N 0 1 260.353 3.619 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccc3c(n1)CCC3)CC2 ZINC000656497520 1118567624 /nfs/dbraw/zinc/56/76/24/1118567624.db2.gz FOLMZBXXIGNBMC-IBGZPJMESA-N 0 1 278.399 3.656 20 0 CHADMN CS[C@@H](C)CNCc1csc(-c2ccsc2)n1 ZINC000127968300 1118574542 /nfs/dbraw/zinc/57/45/42/1118574542.db2.gz LTYPFAZGIQUYPZ-VIFPVBQESA-N 0 1 284.475 3.713 20 0 CHADMN Cc1ncc(C(=O)N(C)[C@H]2CCCC[C@@H]2c2ccccc2)[nH]1 ZINC000616328321 1128786771 /nfs/dbraw/zinc/78/67/71/1128786771.db2.gz JMJXTXMWIZRXBD-WBVHZDCISA-N 0 1 297.402 3.517 20 0 CHADMN C[C@@H]1CCN(Cc2sc(NC(C)(C)C)nc2Cl)C1 ZINC001140391095 1118582615 /nfs/dbraw/zinc/58/26/15/1118582615.db2.gz FZVRHEUCFYCZTE-SECBINFHSA-N 0 1 287.860 3.849 20 0 CHADMN CN(Cc1ccc(Cl)nc1Cl)CC(C)(C)C ZINC000234302444 1118583182 /nfs/dbraw/zinc/58/31/82/1118583182.db2.gz IXDPTYLGQWTECI-UHFFFAOYSA-N 0 1 261.196 3.866 20 0 CHADMN Cc1cnc(CN[C@H](c2ccccc2)C2CCCC2)n1C ZINC000341016457 1118585677 /nfs/dbraw/zinc/58/56/77/1118585677.db2.gz RPQZKSIWAPSGKH-GOSISDBHSA-N 0 1 283.419 3.750 20 0 CHADMN Cc1cccc(CNCc2ccc(Cl)cc2C)n1 ZINC000129046134 1118585722 /nfs/dbraw/zinc/58/57/22/1118585722.db2.gz CWEYOSXWUMHAGT-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN CC[C@H](C)CN(C)CC(=O)c1cc(C)n(C2CC2)c1C ZINC000341034049 1118591703 /nfs/dbraw/zinc/59/17/03/1118591703.db2.gz YTGQSLNWHKJIBL-LBPRGKRZSA-N 0 1 276.424 3.600 20 0 CHADMN Cc1nc2scc(C3CC3)n2c1CN1CC(C(C)C)C1 ZINC000656582357 1118601171 /nfs/dbraw/zinc/60/11/71/1118601171.db2.gz QXPMZXWZOVZXQP-UHFFFAOYSA-N 0 1 289.448 3.669 20 0 CHADMN CN(Cc1ccn(-c2ccccc2)n1)C[C@H]1CC=CCC1 ZINC000510428688 1118604790 /nfs/dbraw/zinc/60/47/90/1118604790.db2.gz KJAIOBQPOPWVEQ-INIZCTEOSA-N 0 1 281.403 3.660 20 0 CHADMN COc1cc(F)c(F)cc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001143394511 1118606560 /nfs/dbraw/zinc/60/65/60/1118606560.db2.gz FLIBAXWONXVLHU-NHYWBVRUSA-N 0 1 281.346 3.738 20 0 CHADMN C[C@H](NC/C=C\Cl)c1ccc(Br)s1 ZINC000308222027 1118609589 /nfs/dbraw/zinc/60/95/89/1118609589.db2.gz CNAMSBIUVHCZCI-KVFVURRZSA-N 0 1 280.618 3.914 20 0 CHADMN CC[C@@H]1CCCN1Cc1nc2ccccc2n1C(F)F ZINC000341163019 1118609667 /nfs/dbraw/zinc/60/96/67/1118609667.db2.gz BSRBYMDGBRDVNT-LLVKDONJSA-N 0 1 279.334 3.806 20 0 CHADMN CCc1ccc([C@@H](NCCOC(C)C)c2cccnc2)cc1 ZINC000926154936 1118612610 /nfs/dbraw/zinc/61/26/10/1118612610.db2.gz KQKMALPPFOBEDE-LJQANCHMSA-N 0 1 298.430 3.748 20 0 CHADMN CCCCCc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000616453084 1128789317 /nfs/dbraw/zinc/78/93/17/1128789317.db2.gz RZUHTZJHRUINJZ-BBRMVZONSA-N 0 1 289.423 3.547 20 0 CHADMN Brc1ccsc1CN1CCC2(CC2)CC1 ZINC000707093576 1118625810 /nfs/dbraw/zinc/62/58/10/1118625810.db2.gz UNSJWSOUJOLCEK-UHFFFAOYSA-N 0 1 286.238 3.887 20 0 CHADMN COc1c(C)cc(CN2CC(CC(F)(F)F)C2)cc1C ZINC000656686301 1118635398 /nfs/dbraw/zinc/63/53/98/1118635398.db2.gz BNWYTUZXUBPFIN-UHFFFAOYSA-N 0 1 287.325 3.696 20 0 CHADMN C[C@H](NCCCC1CCC1)c1nc(Cc2ccccc2)no1 ZINC000656689331 1118637642 /nfs/dbraw/zinc/63/76/42/1118637642.db2.gz REZWBNKDBHLSQJ-AWEZNQCLSA-N 0 1 299.418 3.891 20 0 CHADMN C[C@H](NCCCC1CCC1)c1nc(C(C)(C)C)no1 ZINC000656691202 1118638876 /nfs/dbraw/zinc/63/88/76/1118638876.db2.gz WTTCWDIUVBBHIZ-NSHDSACASA-N 0 1 265.401 3.598 20 0 CHADMN C[C@@H](NCCCC1CCC1)c1nc(C(C)(C)C)no1 ZINC000656691196 1118639074 /nfs/dbraw/zinc/63/90/74/1118639074.db2.gz WTTCWDIUVBBHIZ-LLVKDONJSA-N 0 1 265.401 3.598 20 0 CHADMN CC(C)c1ccc(CCN2CC(C(F)F)C2)cc1 ZINC000656691346 1118639314 /nfs/dbraw/zinc/63/93/14/1118639314.db2.gz ZJIJJIQGMQRTNB-UHFFFAOYSA-N 0 1 253.336 3.549 20 0 CHADMN CC(C)C1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000075833569 1118640433 /nfs/dbraw/zinc/64/04/33/1118640433.db2.gz QOXYZGAEZVRQEP-UHFFFAOYSA-N 0 1 252.789 3.603 20 0 CHADMN CN(Cc1ccc(C(F)(F)F)cc1)CC1(F)CC1 ZINC000684354700 1118643351 /nfs/dbraw/zinc/64/33/51/1118643351.db2.gz AQBYWSBBJNAYIF-UHFFFAOYSA-N 0 1 261.262 3.639 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656761818 1118650857 /nfs/dbraw/zinc/65/08/57/1118650857.db2.gz UQLIDWLZFLGWLC-TZMCWYRMSA-N 0 1 291.391 3.941 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCCCC2)[C@@H]2CCCC[C@H]12 ZINC000656764082 1118651622 /nfs/dbraw/zinc/65/16/22/1118651622.db2.gz JKCLNJLZUPTKSV-BZUAXINKSA-N 0 1 279.424 3.532 20 0 CHADMN Fc1ccc(-n2nccc2CN2C3CCCC2CCC3)cc1 ZINC000684361471 1118651896 /nfs/dbraw/zinc/65/18/96/1118651896.db2.gz SSMJDSZBHPBAON-UHFFFAOYSA-N 0 1 299.393 3.918 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CCCC2)[C@H]2CCCC[C@H]12 ZINC000656762653 1118651912 /nfs/dbraw/zinc/65/19/12/1118651912.db2.gz BJUJAWGZWACFNB-OAGGEKHMSA-N 0 1 279.424 3.532 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CCCCC2)[C@@H]2CCCC[C@@H]12 ZINC000656768000 1118652909 /nfs/dbraw/zinc/65/29/09/1118652909.db2.gz UBCPCBZBBAVGCX-GVDBMIGSSA-N 0 1 293.451 3.922 20 0 CHADMN CCc1ccc(C)nc1NCc1ccc(Cl)o1 ZINC000656777900 1118656219 /nfs/dbraw/zinc/65/62/19/1118656219.db2.gz HEIUQEIPWCUVSB-UHFFFAOYSA-N 0 1 250.729 3.811 20 0 CHADMN Cc1ccnc(NCc2nc3ccccc3n2C)c1C1CC1 ZINC000656778896 1118656232 /nfs/dbraw/zinc/65/62/32/1118656232.db2.gz FMPOPLMQMXBULW-UHFFFAOYSA-N 0 1 292.386 3.766 20 0 CHADMN CC/C=C/CC[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000341325298 1118665868 /nfs/dbraw/zinc/66/58/68/1118665868.db2.gz YXKVQNAUJPYZHS-SNAWJCMRSA-N 0 1 269.392 3.865 20 0 CHADMN CC/C=C/CCN(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000341325298 1118665871 /nfs/dbraw/zinc/66/58/71/1118665871.db2.gz YXKVQNAUJPYZHS-SNAWJCMRSA-N 0 1 269.392 3.865 20 0 CHADMN C[C@@H]1C[C@H](C)N1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000684411313 1118686115 /nfs/dbraw/zinc/68/61/15/1118686115.db2.gz JFJANJXPBDDWFI-BETUJISGSA-N 0 1 289.810 3.568 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(C)(C)C(F)F)CC3 ZINC000684413957 1118688039 /nfs/dbraw/zinc/68/80/39/1118688039.db2.gz NQHGGEMTGAKIDM-LLVKDONJSA-N 0 1 292.373 3.967 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CN(C)Cc1cccs1 ZINC000891474593 1118692602 /nfs/dbraw/zinc/69/26/02/1118692602.db2.gz SZZSIPMBSRPFLL-UHFFFAOYSA-N 0 1 277.437 3.774 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H](C)c1ccnc(OC)c1 ZINC000348687410 1118698488 /nfs/dbraw/zinc/69/84/88/1118698488.db2.gz UPZPQLMBIAHYNW-QWRGUYRKSA-N 0 1 292.404 3.572 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccc(F)cc2)cnc1F ZINC000891537886 1118705355 /nfs/dbraw/zinc/70/53/55/1118705355.db2.gz ZELGLQRNBREHFM-GFCCVEGCSA-N 0 1 276.330 3.861 20 0 CHADMN Cn1ncc(CN2CCC[C@H]2c2ccc(F)cc2)c1C1CC1 ZINC000891550156 1118707387 /nfs/dbraw/zinc/70/73/87/1118707387.db2.gz LTFFGSCZJUGPJZ-KRWDZBQOSA-N 0 1 299.393 3.774 20 0 CHADMN CC(C)c1ccc(C(C)(C)NC(=O)CCc2cnc[nH]2)cc1 ZINC000684433460 1118709820 /nfs/dbraw/zinc/70/98/20/1118709820.db2.gz UPYQGIYPPSCNIY-UHFFFAOYSA-N 0 1 299.418 3.517 20 0 CHADMN COc1cccc2c1CCN(Cc1ccc(C)s1)C2 ZINC000341525887 1118718992 /nfs/dbraw/zinc/71/89/92/1118718992.db2.gz IEOKKCKCUJLERM-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN COc1cc(CNCc2ccc3ccccc3c2)sn1 ZINC000399068691 1118725811 /nfs/dbraw/zinc/72/58/11/1118725811.db2.gz FWHLIKRTIJUZTA-UHFFFAOYSA-N 0 1 284.384 3.595 20 0 CHADMN CCOc1ccc(CN(C)[C@@H](C)c2cccs2)o1 ZINC000891639232 1118727912 /nfs/dbraw/zinc/72/79/12/1118727912.db2.gz FPJKMSXAIANBBT-NSHDSACASA-N 0 1 265.378 3.933 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnc(C)s1)c1ccncc1 ZINC000090417913 1118733450 /nfs/dbraw/zinc/73/34/50/1118733450.db2.gz GPEGUPKFIWFBOY-ZWNOBZJWSA-N 0 1 261.394 3.648 20 0 CHADMN CC[C@H](N[C@H](C)c1cnc(C)s1)c1c(C)nn(C)c1C ZINC000090418380 1118734109 /nfs/dbraw/zinc/73/41/09/1118734109.db2.gz OCZDVROVZGFUOX-RNCFNFMXSA-N 0 1 292.452 3.604 20 0 CHADMN C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000471801094 1118735919 /nfs/dbraw/zinc/73/59/19/1118735919.db2.gz YNUAQSNZZZWRMZ-YPMHNXCESA-N 0 1 291.391 3.509 20 0 CHADMN CCC(CC)N(CCOC)Cc1nc(C(C)(C)C)co1 ZINC000891678888 1118738025 /nfs/dbraw/zinc/73/80/25/1118738025.db2.gz ZDAKBSWWXMYTBD-UHFFFAOYSA-N 0 1 282.428 3.609 20 0 CHADMN COC1CCC(Nc2ccnc3cc(F)ccc32)CC1 ZINC000413418267 1118742412 /nfs/dbraw/zinc/74/24/12/1118742412.db2.gz LOHVLABHZWFSNB-UHFFFAOYSA-N 0 1 274.339 3.743 20 0 CHADMN CCN(Cc1ccc(OC)o1)[C@@H](C)c1cccc(O)c1 ZINC000891713463 1118749859 /nfs/dbraw/zinc/74/98/59/1118749859.db2.gz FSGKKHRKFKNPME-LBPRGKRZSA-N 0 1 275.348 3.577 20 0 CHADMN CCN(Cc1cnc(F)c(C)c1)[C@@H](C)c1cccc(O)c1 ZINC000891713429 1118750040 /nfs/dbraw/zinc/75/00/40/1118750040.db2.gz DFJNBDOXOFHWIK-ZDUSSCGKSA-N 0 1 288.366 3.818 20 0 CHADMN CCN(Cc1cnn(C)c1C1CC1)[C@H](C)c1cccc(O)c1 ZINC000891714096 1118750053 /nfs/dbraw/zinc/75/00/53/1118750053.db2.gz RNLSKEDDBQTUQP-CYBMUJFWSA-N 0 1 299.418 3.586 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CCCO[C@H]1CC(C)C ZINC000926213340 1118750232 /nfs/dbraw/zinc/75/02/32/1118750232.db2.gz PIAOWISFNIQINU-YCPHGPKFSA-N 0 1 292.423 3.544 20 0 CHADMN Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[C@H](C)O3)on1 ZINC000891720158 1118750418 /nfs/dbraw/zinc/75/04/18/1118750418.db2.gz XBCBKARZXHNTRN-BBRMVZONSA-N 0 1 298.386 3.644 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2ccc3c(c2)C[C@H](C)O3)on1 ZINC000891720158 1118750419 /nfs/dbraw/zinc/75/04/19/1118750419.db2.gz XBCBKARZXHNTRN-BBRMVZONSA-N 0 1 298.386 3.644 20 0 CHADMN CC1CCC([N@@H+](C)Cc2nc3cccnc3s2)CC1 ZINC000341609230 1118757177 /nfs/dbraw/zinc/75/71/77/1118757177.db2.gz SDOOUESUJLFOTR-UHFFFAOYSA-N 0 1 275.421 3.702 20 0 CHADMN Fc1ccc(C[C@@H]2CCC[N@H+]2Cc2nccn2C2CC2)cc1 ZINC000891770446 1118762553 /nfs/dbraw/zinc/76/25/53/1118762553.db2.gz KMCWTTDPPKOBDM-KRWDZBQOSA-N 0 1 299.393 3.564 20 0 CHADMN Fc1ccc(C[C@@H]2CCCN2Cc2nccn2C2CC2)cc1 ZINC000891770446 1118762554 /nfs/dbraw/zinc/76/25/54/1118762554.db2.gz KMCWTTDPPKOBDM-KRWDZBQOSA-N 0 1 299.393 3.564 20 0 CHADMN C[C@@H]1c2cccn2CCN1CCSCc1ccccc1 ZINC000430734493 1118764855 /nfs/dbraw/zinc/76/48/55/1118764855.db2.gz MROOMPVWJOHWFP-OAHLLOKOSA-N 0 1 286.444 3.798 20 0 CHADMN Cc1c([C@H](C)NCc2cccc(C(F)F)c2)cnn1C ZINC000131814843 1118766633 /nfs/dbraw/zinc/76/66/33/1118766633.db2.gz WTDYVZOFBABLEO-JTQLQIEISA-N 0 1 279.334 3.517 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1ccc(C)cc1OC ZINC000449327674 1118769076 /nfs/dbraw/zinc/76/90/76/1118769076.db2.gz CJQUNYLLUWOLCK-KRWDZBQOSA-N 0 1 284.403 3.982 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@H](C)c2cncs2)s1 ZINC000129257002 1118773715 /nfs/dbraw/zinc/77/37/15/1118773715.db2.gz OCICUFFDEIVOOU-SFYZADRCSA-N 0 1 267.423 3.628 20 0 CHADMN CCOC(C)(C)CN[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000926232773 1118775387 /nfs/dbraw/zinc/77/53/87/1118775387.db2.gz QVEGNJYDJCGLED-SFHVURJKSA-N 0 1 298.430 3.884 20 0 CHADMN CC1=C[C@@H](C)C[N@H+](Cc2cnc(C(C)C)s2)C1 ZINC000430863560 1118779716 /nfs/dbraw/zinc/77/97/16/1118779716.db2.gz HTCCMZVBVWZYHH-LLVKDONJSA-N 0 1 250.411 3.665 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2cnc(C(C)C)s2)C1 ZINC000430863560 1118779722 /nfs/dbraw/zinc/77/97/22/1118779722.db2.gz HTCCMZVBVWZYHH-LLVKDONJSA-N 0 1 250.411 3.665 20 0 CHADMN Fc1ccccc1-c1ncc(CN[C@@H]2CCC[C@@H]2F)s1 ZINC000449343277 1118781484 /nfs/dbraw/zinc/78/14/84/1118781484.db2.gz JECKDPHBBKZGNQ-UONOGXRCSA-N 0 1 294.370 3.929 20 0 CHADMN COc1ccc(CN2CC(C)=C[C@@H](C)C2)c(OC(F)F)c1 ZINC000430875680 1118781831 /nfs/dbraw/zinc/78/18/31/1118781831.db2.gz ONICZKGAYKDWER-LLVKDONJSA-N 0 1 297.345 3.695 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2C[C@@H](C)n3ccnc32)c(C)c1 ZINC000293848813 1118782505 /nfs/dbraw/zinc/78/25/05/1118782505.db2.gz CMIPRUIYROKULH-YCPHGPKFSA-N 0 1 269.392 3.857 20 0 CHADMN c1c2ccccc2sc1CN1CCO[C@@H]2CCC[C@H]21 ZINC000510657109 1118784294 /nfs/dbraw/zinc/78/42/94/1118784294.db2.gz JJKUQBHLXUQNQX-HUUCEWRRSA-N 0 1 273.401 3.655 20 0 CHADMN COCc1ccc([C@@H]2CCCN2C/C=C\c2ccncc2)o1 ZINC000426144952 1118787869 /nfs/dbraw/zinc/78/78/69/1118787869.db2.gz XEXOKKVBYSYWRF-MMTGSJLXSA-N 0 1 298.386 3.671 20 0 CHADMN Cc1cccc(C)c1CN(C)Cc1cn(C)nc1C(F)F ZINC000933764796 1118792478 /nfs/dbraw/zinc/79/24/78/1118792478.db2.gz YYDIOVCFGNKANU-UHFFFAOYSA-N 0 1 293.361 3.607 20 0 CHADMN C[C@H](c1ccccc1F)N(C)CCOCC1CCC1 ZINC000341674508 1118792588 /nfs/dbraw/zinc/79/25/88/1118792588.db2.gz LWBCCOTZNLRELH-CYBMUJFWSA-N 0 1 265.372 3.635 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CC1CCCCCC1 ZINC000089575352 1118793656 /nfs/dbraw/zinc/79/36/56/1118793656.db2.gz CGPDWVWURROQCC-OAHLLOKOSA-N 0 1 267.413 3.676 20 0 CHADMN CC(C)(C)c1coc(C[N@H+]2CCC[C@@H]2C2CCC2)n1 ZINC000891868688 1118813914 /nfs/dbraw/zinc/81/39/14/1118813914.db2.gz LRSBFPJLHRPTFT-CYBMUJFWSA-N 0 1 262.397 3.737 20 0 CHADMN CC(C)(C)c1coc(CN2CCC[C@@H]2C2CCC2)n1 ZINC000891868688 1118813921 /nfs/dbraw/zinc/81/39/21/1118813921.db2.gz LRSBFPJLHRPTFT-CYBMUJFWSA-N 0 1 262.397 3.737 20 0 CHADMN COc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001143412056 1118820914 /nfs/dbraw/zinc/82/09/14/1118820914.db2.gz FWUIFWRJXPGRQZ-FZMZJTMJSA-N 0 1 281.346 3.738 20 0 CHADMN COc1ccc(F)c(F)c1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001143412056 1118820919 /nfs/dbraw/zinc/82/09/19/1118820919.db2.gz FWUIFWRJXPGRQZ-FZMZJTMJSA-N 0 1 281.346 3.738 20 0 CHADMN Cc1ccc(CN2CCCSC[C@@H]2C2CC2)nc1Cl ZINC000933911908 1118842461 /nfs/dbraw/zinc/84/24/61/1118842461.db2.gz HCOCHJSBPJKUPZ-CQSZACIVSA-N 0 1 296.867 3.761 20 0 CHADMN Clc1cc2c(s1)CC[C@H]2NCc1ccncc1 ZINC000129492172 1118848604 /nfs/dbraw/zinc/84/86/04/1118848604.db2.gz FPZAUJTVMWQMBH-LLVKDONJSA-N 0 1 264.781 3.574 20 0 CHADMN Cc1ccc(CNc2cc[nH+]c3c([O-])cccc23)s1 ZINC000684568499 1118849327 /nfs/dbraw/zinc/84/93/27/1118849327.db2.gz PQKNGULKNPLXJN-UHFFFAOYSA-N 0 1 270.357 3.922 20 0 CHADMN CN(CCC(F)(F)F)Cc1ccc(OCC(F)F)cc1 ZINC000092478287 1118852084 /nfs/dbraw/zinc/85/20/84/1118852084.db2.gz HBNPUTMQELCRFJ-UHFFFAOYSA-N 0 1 297.267 3.715 20 0 CHADMN CCOc1ccccc1CNc1cc[nH+]c2c([O-])cccc12 ZINC000684570042 1118853147 /nfs/dbraw/zinc/85/31/47/1118853147.db2.gz MGERDHVDABMPOG-UHFFFAOYSA-N 0 1 294.354 3.951 20 0 CHADMN Cc1cc(F)ncc1CN1CC[C@@H](c2cccc(F)c2)C1 ZINC000891944356 1118863508 /nfs/dbraw/zinc/86/35/08/1118863508.db2.gz ZRMKDPAGYGAODU-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN [O-]c1cccc2c(N[C@H]3CCCC(F)(F)C3)cc[nH+]c12 ZINC000684578346 1118866232 /nfs/dbraw/zinc/86/62/32/1118866232.db2.gz LNNOOGUCDKTZTH-JTQLQIEISA-N 0 1 278.302 3.930 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1nccs1)c1ccccc1Cl ZINC000090453469 1118900629 /nfs/dbraw/zinc/90/06/29/1118900629.db2.gz GDGYKBIJRLVWQV-GWCFXTLKSA-N 0 1 296.823 3.835 20 0 CHADMN COC(C)(C)CN(C)Cc1cc(C(F)(F)F)ccc1F ZINC000535852415 1118905788 /nfs/dbraw/zinc/90/57/88/1118905788.db2.gz XQCCTUTZTUKNEQ-UHFFFAOYSA-N 0 1 293.304 3.701 20 0 CHADMN CCc1nc([C@H](C)Sc2ccc(C)cc2C)n[nH]1 ZINC000657232044 1118926427 /nfs/dbraw/zinc/92/64/27/1118926427.db2.gz UHVRTLZWCSLJQK-NSHDSACASA-N 0 1 261.394 3.837 20 0 CHADMN C[C@@H](CC(F)(F)F)NCc1cccc(Cl)c1F ZINC000224329593 1118928212 /nfs/dbraw/zinc/92/82/12/1118928212.db2.gz VUXYBXYPCDSLPA-ZETCQYMHSA-N 0 1 269.669 3.910 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3ccc(Br)s3)C[C@@H]21 ZINC000306711087 1118930061 /nfs/dbraw/zinc/93/00/61/1118930061.db2.gz XFJJCGCQMPIXLO-AOOOYVTPSA-N 0 1 286.238 3.598 20 0 CHADMN C[C@H]1CCCC[C@@H]1CSc1nc(C2CC2)n[nH]1 ZINC000657241216 1118931614 /nfs/dbraw/zinc/93/16/14/1118931614.db2.gz PGWXKDVVPJMLNF-GXSJLCMTSA-N 0 1 251.399 3.601 20 0 CHADMN C[C@H]1CCCC[C@@H]1CSc1n[nH]c(C2CC2)n1 ZINC000657241216 1118931615 /nfs/dbraw/zinc/93/16/15/1118931615.db2.gz PGWXKDVVPJMLNF-GXSJLCMTSA-N 0 1 251.399 3.601 20 0 CHADMN CCC(CC)CSc1nc(=O)cc(O)n1C1CCCC1 ZINC000657243135 1118931683 /nfs/dbraw/zinc/93/16/83/1118931683.db2.gz LCPUBDWNCLJDBI-UHFFFAOYSA-N 0 1 296.436 3.592 20 0 CHADMN CC(=O)[C@@H](C)CCSc1nnc(CCC2CCCC2)[nH]1 ZINC000657243104 1118932084 /nfs/dbraw/zinc/93/20/84/1118932084.db2.gz PFDFHPFMHNKZSW-NSHDSACASA-N 0 1 295.452 3.635 20 0 CHADMN CC(=O)[C@@H](C)CCSc1nc(CCC2CCCC2)n[nH]1 ZINC000657243104 1118932087 /nfs/dbraw/zinc/93/20/87/1118932087.db2.gz PFDFHPFMHNKZSW-NSHDSACASA-N 0 1 295.452 3.635 20 0 CHADMN CC[C@@H](CSc1nc(C(C)(C)C)n[nH]1)CC(F)F ZINC000657242916 1118932184 /nfs/dbraw/zinc/93/21/84/1118932184.db2.gz MIRIRADYYWSEPA-MRVPVSSYSA-N 0 1 277.384 3.876 20 0 CHADMN CC[C@@H](CSc1n[nH]c(C(C)(C)C)n1)CC(F)F ZINC000657242916 1118932185 /nfs/dbraw/zinc/93/21/85/1118932185.db2.gz MIRIRADYYWSEPA-MRVPVSSYSA-N 0 1 277.384 3.876 20 0 CHADMN Cc1nc2cc(Nc3ccc(Cl)nc3)ccc2[nH]1 ZINC001213070232 1128811101 /nfs/dbraw/zinc/81/11/01/1128811101.db2.gz FVLOKNLBDRQIQH-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN COc1cccc(OC)c1CN[C@@H]1CCc2ccc(C)cc21 ZINC000651984402 1118939809 /nfs/dbraw/zinc/93/98/09/1118939809.db2.gz CSJNOTSSXWQORD-QGZVFWFLSA-N 0 1 297.398 3.789 20 0 CHADMN O[C@@H]1CCN(Cc2cscc2Cl)C[C@H]1C1CCCC1 ZINC000657257528 1118939870 /nfs/dbraw/zinc/93/98/70/1118939870.db2.gz MUTXNLWPOANLLH-DZGCQCFKSA-N 0 1 299.867 3.775 20 0 CHADMN c1cn(C2CC2)c(C[N@H+]2CCC[C@]3(CC=CCC3)C2)n1 ZINC000892050670 1118949997 /nfs/dbraw/zinc/94/99/97/1118949997.db2.gz XDVUGLMWTKISHZ-QGZVFWFLSA-N 0 1 271.408 3.540 20 0 CHADMN c1cn(C2CC2)c(CN2CCC[C@]3(CC=CCC3)C2)n1 ZINC000892050670 1118949999 /nfs/dbraw/zinc/94/99/99/1118949999.db2.gz XDVUGLMWTKISHZ-QGZVFWFLSA-N 0 1 271.408 3.540 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2ccc(O)c(F)c2)n1 ZINC000892055737 1118951035 /nfs/dbraw/zinc/95/10/35/1118951035.db2.gz VLVUFKHXRJKOEK-MRXNPFEDSA-N 0 1 286.350 3.572 20 0 CHADMN O=c1nc(CCCc2ccsc2)[nH]c2ccsc21 ZINC000342238322 1118952154 /nfs/dbraw/zinc/95/21/54/1118952154.db2.gz FATACVNIFIOXPF-UHFFFAOYSA-N 0 1 276.386 3.634 20 0 CHADMN CCC[C@@](C)(NCc1nccn1CC)c1ccccc1 ZINC000934182443 1118956309 /nfs/dbraw/zinc/95/63/09/1118956309.db2.gz MSNJFBWPOZFDEO-QGZVFWFLSA-N 0 1 271.408 3.708 20 0 CHADMN CSCC[C@H](C)N(C)Cc1cc(C)cnc1Cl ZINC000892085066 1118959522 /nfs/dbraw/zinc/95/95/22/1118959522.db2.gz ZQSYNRZHQIHFTL-NSHDSACASA-N 0 1 272.845 3.617 20 0 CHADMN Cn1ncc(C2CC2)c1CN[C@@H]1CCSc2ccccc21 ZINC000657292040 1118961257 /nfs/dbraw/zinc/96/12/57/1118961257.db2.gz FUSWLBVPVRAAKP-OAHLLOKOSA-N 0 1 299.443 3.624 20 0 CHADMN O=C(CC(F)(F)F)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000119721533 1118963964 /nfs/dbraw/zinc/96/39/64/1118963964.db2.gz QEVSIWCGHAFRLU-UHFFFAOYSA-N 0 1 297.280 3.721 20 0 CHADMN Cc1ccccc1[C@H]1C[C@H](N[C@@H](C)c2ncco2)C1 ZINC000926350019 1118966303 /nfs/dbraw/zinc/96/63/03/1118966303.db2.gz GAGDGPRFPPINFC-IHRRRGAJSA-N 0 1 256.349 3.580 20 0 CHADMN CCc1cccc2cc(CNCc3ccc(OC)nc3)oc21 ZINC000657302592 1118973621 /nfs/dbraw/zinc/97/36/21/1118973621.db2.gz ZCQNFUUUKLOAGI-UHFFFAOYSA-N 0 1 296.370 3.689 20 0 CHADMN CC(C)N(Cc1cnc(C2CC2)o1)Cc1ccccc1 ZINC000628117215 1128813114 /nfs/dbraw/zinc/81/31/14/1128813114.db2.gz XUZHXGJORLSAIE-UHFFFAOYSA-N 0 1 270.376 3.963 20 0 CHADMN CCCC[C@H]1CCC[C@@H]1NCc1nnc(C(C)(C)C)o1 ZINC000755053692 1118981842 /nfs/dbraw/zinc/98/18/42/1118981842.db2.gz CMWGPCXFGFZQPM-STQMWFEESA-N 0 1 279.428 3.816 20 0 CHADMN Cc1cnc([C@H](C)N2CC(C)(C)CC(C)(C)C2)o1 ZINC000342337186 1118982709 /nfs/dbraw/zinc/98/27/09/1118982709.db2.gz KVFRDBVMIJDNRY-LBPRGKRZSA-N 0 1 250.386 3.802 20 0 CHADMN OC[C@@H]1CCCCCN1Cc1cccc(Cl)c1Cl ZINC000228903323 1118982865 /nfs/dbraw/zinc/98/28/65/1118982865.db2.gz QFHRHOGVIXLXAY-LBPRGKRZSA-N 0 1 288.218 3.730 20 0 CHADMN Cc1csc(CN2CC(C)(C)CC(C)(C)C2)n1 ZINC000342354229 1118988778 /nfs/dbraw/zinc/98/87/78/1118988778.db2.gz FHKWSSPAYZWUCF-UHFFFAOYSA-N 0 1 252.427 3.710 20 0 CHADMN Fc1ccccc1CN(Cc1cccc2n[nH]cc21)C1CC1 ZINC000628122955 1128813963 /nfs/dbraw/zinc/81/39/63/1128813963.db2.gz TYDRASHCCGLLEV-UHFFFAOYSA-N 0 1 295.361 3.867 20 0 CHADMN c1c[nH]c([C@H]2CCCCN2CCCCOc2ccccc2)n1 ZINC000152034863 1118995491 /nfs/dbraw/zinc/99/54/91/1118995491.db2.gz ALKPYHHKCQKOII-QGZVFWFLSA-N 0 1 299.418 3.796 20 0 CHADMN Cc1cc(C)nc(CN2Cc3ccccc3C[C@@H]2C)c1 ZINC001167544789 1118999939 /nfs/dbraw/zinc/99/99/39/1118999939.db2.gz VVBSKPQMHAUMKU-HNNXBMFYSA-N 0 1 266.388 3.645 20 0 CHADMN Cc1c[nH]c(CN[C@H](CC(C)C)c2cccs2)n1 ZINC000657323493 1119000302 /nfs/dbraw/zinc/00/03/02/1119000302.db2.gz FESQLZQDAHNNAM-GFCCVEGCSA-N 0 1 263.410 3.657 20 0 CHADMN CC(C)c1ccc(CNCc2c(C3CC3)cnn2C)cc1 ZINC000657326908 1119002081 /nfs/dbraw/zinc/00/20/81/1119002081.db2.gz HMRHKNXTHYVKOG-UHFFFAOYSA-N 0 1 283.419 3.711 20 0 CHADMN CNc1cc(Nc2cc(Cl)cc(Cl)c2[O-])cc[nH+]1 ZINC001216335688 1119002319 /nfs/dbraw/zinc/00/23/19/1119002319.db2.gz ZQHGGNZTSPCJSX-UHFFFAOYSA-N 0 1 284.146 3.879 20 0 CHADMN OCc1cc(Nc2cccc(C3CCC3)c2)ccn1 ZINC001216340221 1119004365 /nfs/dbraw/zinc/00/43/65/1119004365.db2.gz WEKKZSRHNIYJSP-UHFFFAOYSA-N 0 1 254.333 3.585 20 0 CHADMN CCOc1cccc([C@H](C)NCc2ccnn2CC2CC2)c1 ZINC000657336637 1119009822 /nfs/dbraw/zinc/00/98/22/1119009822.db2.gz WBHDFOCAYVNUEJ-AWEZNQCLSA-N 0 1 299.418 3.543 20 0 CHADMN COc1cncc(CN[C@@H](c2ncccc2C)C(C)(C)C)c1 ZINC000934290216 1119010851 /nfs/dbraw/zinc/01/08/51/1119010851.db2.gz YVMMDPWPNDMOFA-KRWDZBQOSA-N 0 1 299.418 3.671 20 0 CHADMN CC(C)n1nccc1CN1CCCCC[C@@H]1c1ccncc1 ZINC000375669522 1119015012 /nfs/dbraw/zinc/01/50/12/1119015012.db2.gz SDLUMSKMIJAUSG-GOSISDBHSA-N 0 1 298.434 3.976 20 0 CHADMN C[C@H]1CN(Cc2cn3ccnc3s2)[C@H]1c1ccccc1 ZINC000892195126 1119016814 /nfs/dbraw/zinc/01/68/14/1119016814.db2.gz NJPBVENXYPDYAV-SWLSCSKDSA-N 0 1 283.400 3.589 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@H]1NCc1cccc2cc[nH]c21 ZINC000342426064 1119018571 /nfs/dbraw/zinc/01/85/71/1119018571.db2.gz HMFNEYKGRKFJQR-SJCJKPOMSA-N 0 1 278.355 3.780 20 0 CHADMN Cc1c[nH]c(CN[C@@H](C)c2cc3ccccc3s2)n1 ZINC000657353135 1119021727 /nfs/dbraw/zinc/02/17/27/1119021727.db2.gz GCQLEAQGHJPPMM-NSHDSACASA-N 0 1 271.389 3.784 20 0 CHADMN CCCC[C@@H](C)N(C)CC(=O)Nc1ccccc1Cl ZINC000582210239 1119033442 /nfs/dbraw/zinc/03/34/42/1119033442.db2.gz FRUKEMGGNTYGPD-GFCCVEGCSA-N 0 1 282.815 3.789 20 0 CHADMN CC[C@@H]1CCCC[C@H]1CN(C)Cc1cc(C)on1 ZINC000628140356 1128817228 /nfs/dbraw/zinc/81/72/28/1128817228.db2.gz IDFGZPFRKOAADM-KGLIPLIRSA-N 0 1 250.386 3.631 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccccn1)c1cccc(OC)c1 ZINC000152334052 1119037784 /nfs/dbraw/zinc/03/77/84/1119037784.db2.gz MRHHIXVWZDLJOW-BBRMVZONSA-N 0 1 270.376 3.892 20 0 CHADMN CC(C)n1ccnc1CNC[C@H](C)Sc1ccccc1 ZINC000657377368 1119040365 /nfs/dbraw/zinc/04/03/65/1119040365.db2.gz CLUZEHJMKWZLDJ-AWEZNQCLSA-N 0 1 289.448 3.734 20 0 CHADMN COc1ccc(CN2CCCCC[C@H]2c2ccco2)nc1 ZINC000342468455 1119041733 /nfs/dbraw/zinc/04/17/33/1119041733.db2.gz AQHGPAZCKUUMIJ-INIZCTEOSA-N 0 1 286.375 3.801 20 0 CHADMN CC[C@@H]1C[C@@H](N[C@@H](C)c2c(F)cccc2Cl)CO1 ZINC000657385371 1119046086 /nfs/dbraw/zinc/04/60/86/1119046086.db2.gz VBQYXMSPKNJXOT-HBNTYKKESA-N 0 1 271.763 3.697 20 0 CHADMN CN(Cc1cc2ccccc2o1)Cc1ccc2c(n1)CCC2 ZINC000582346109 1119055169 /nfs/dbraw/zinc/05/51/69/1119055169.db2.gz SUXZZZNUUSCFNK-UHFFFAOYSA-N 0 1 292.382 3.949 20 0 CHADMN COc1ccc(CNCc2ccc(F)c(F)c2F)c(C)c1 ZINC000657399561 1119057960 /nfs/dbraw/zinc/05/79/60/1119057960.db2.gz LIGGBMACUQCIBU-UHFFFAOYSA-N 0 1 295.304 3.711 20 0 CHADMN Cc1cc(Nc2ccc3c[nH+]ccc3c2)cc(C(=O)[O-])c1 ZINC001211542568 1119059071 /nfs/dbraw/zinc/05/90/71/1119059071.db2.gz KRDSTZLHVBRWRQ-UHFFFAOYSA-N 0 1 278.311 3.985 20 0 CHADMN C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)C1 ZINC000135048923 1119064835 /nfs/dbraw/zinc/06/48/35/1119064835.db2.gz RLRMFKJTZADDRM-ILXRZTDVSA-N 0 1 281.440 3.636 20 0 CHADMN CC(C)[C@H](CC(F)(F)F)NC/C(Cl)=C\Cl ZINC000309079561 1119069931 /nfs/dbraw/zinc/06/99/31/1119069931.db2.gz NWVOIJOZDBTYDH-IPWDFOCMSA-N 0 1 264.118 3.872 20 0 CHADMN CCc1nc([C@@H](C)NCc2cc3cccc(CC)c3o2)n[nH]1 ZINC000657421053 1119072344 /nfs/dbraw/zinc/07/23/44/1119072344.db2.gz YPDAYGHNJZPHBS-LLVKDONJSA-N 0 1 298.390 3.527 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2C2CC2)ncc1Br ZINC000628163882 1128820982 /nfs/dbraw/zinc/82/09/82/1128820982.db2.gz WDLXRVHEQROEFS-CQSZACIVSA-N 0 1 295.224 3.527 20 0 CHADMN Cc1ccccc1[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC000431422204 1119094643 /nfs/dbraw/zinc/09/46/43/1119094643.db2.gz ZQYJREIJUUTNPR-QGZVFWFLSA-N 0 1 290.451 3.539 20 0 CHADMN CCCn1nccc1CNCc1ccc(C2CCC2)cc1 ZINC000657448402 1119101755 /nfs/dbraw/zinc/10/17/55/1119101755.db2.gz XQHSWQBJWWYQOE-UHFFFAOYSA-N 0 1 283.419 3.850 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1[C@H](C)CCC[C@@H]1C ZINC000342652517 1119112731 /nfs/dbraw/zinc/11/27/31/1119112731.db2.gz AYWKYHDLQWRHGX-BETUJISGSA-N 0 1 289.398 3.958 20 0 CHADMN Cc1ncc(CN2C[C@H](C)C[C@@H]2c2cccc(F)c2)o1 ZINC000628180430 1128822425 /nfs/dbraw/zinc/82/24/25/1128822425.db2.gz PAFNCSRBSBFFET-BDJLRTHQSA-N 0 1 274.339 3.705 20 0 CHADMN Cc1ccc([C@@H](C)CN(C)Cc2nccs2)cc1 ZINC000628181393 1128822523 /nfs/dbraw/zinc/82/25/23/1128822523.db2.gz BHJGQZZWAAUBDA-ZDUSSCGKSA-N 0 1 260.406 3.687 20 0 CHADMN CCCCCN(CCCCC)Cc1nnc(C)o1 ZINC000052889895 1119118315 /nfs/dbraw/zinc/11/83/15/1119118315.db2.gz RENKLLCLNITPIS-UHFFFAOYSA-N 0 1 253.390 3.560 20 0 CHADMN CC(C)(C)C[C@H](NCc1ncc[nH]1)c1ccccc1 ZINC000049715359 1119118780 /nfs/dbraw/zinc/11/87/80/1119118780.db2.gz OCXRXFXAURGMQQ-AWEZNQCLSA-N 0 1 257.381 3.677 20 0 CHADMN C[N@@H+](Cc1c(Cl)ccc2cccnc21)[C@@H]1CCSC1 ZINC000119926349 1119120504 /nfs/dbraw/zinc/12/05/04/1119120504.db2.gz JWBMABKALCDNMT-GFCCVEGCSA-N 0 1 292.835 3.826 20 0 CHADMN C[N@@H+](Cc1ccccc1F)[C@@H]1CCCN(c2ccccc2)C1 ZINC001167587211 1119122518 /nfs/dbraw/zinc/12/25/18/1119122518.db2.gz WCMSKVABAOTFCH-GOSISDBHSA-N 0 1 298.405 3.927 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)NCC[C@H](C)F)n2)ccc1F ZINC000375719339 1119125138 /nfs/dbraw/zinc/12/51/38/1119125138.db2.gz WFYMRBKGKQRUIZ-WDEREUQCSA-N 0 1 295.333 3.583 20 0 CHADMN CC=CC=CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000065575817 1119134526 /nfs/dbraw/zinc/13/45/26/1119134526.db2.gz WNUXLTRKSUWOBV-AOGGBPEJSA-N 0 1 293.326 3.894 20 0 CHADMN CC(C)COC1CCN(CCc2cccc(F)c2F)CC1 ZINC000342711669 1119136820 /nfs/dbraw/zinc/13/68/20/1119136820.db2.gz QQWPOOXFIIJAKH-UHFFFAOYSA-N 0 1 297.389 3.644 20 0 CHADMN Fc1cccc2c1CC[C@@H]2N[C@H]1CCCc2cccnc21 ZINC000684954677 1119139774 /nfs/dbraw/zinc/13/97/74/1119139774.db2.gz CPVPUFWBIZEPOC-IRXDYDNUSA-N 0 1 282.362 3.875 20 0 CHADMN CCSc1cc(CN[C@@H]2CCCc3cccnc32)ccn1 ZINC000684962303 1119143626 /nfs/dbraw/zinc/14/36/26/1119143626.db2.gz RKJWBJICFDOLLK-OAHLLOKOSA-N 0 1 299.443 3.756 20 0 CHADMN COc1ccc(C2(N[C@@H]3CCCc4cccnc43)CC2)cc1 ZINC000684961159 1119144380 /nfs/dbraw/zinc/14/43/80/1119144380.db2.gz OCJMSTIFMQWEKY-QGZVFWFLSA-N 0 1 294.398 3.747 20 0 CHADMN C[C@@H]1C[C@@H](Nc2ccnc3cc(F)ccc32)CS1 ZINC000413515035 1119150584 /nfs/dbraw/zinc/15/05/84/1119150584.db2.gz JSEFVDNKMMTPEW-MWLCHTKSSA-N 0 1 262.353 3.680 20 0 CHADMN CC(C)(C)c1cc(Nc2nc(Cl)ccc2N)ccn1 ZINC001213163206 1119151144 /nfs/dbraw/zinc/15/11/44/1119151144.db2.gz YFSFUCVQULPPJH-UHFFFAOYSA-N 0 1 276.771 3.753 20 0 CHADMN CCOC(=O)c1cccc(Nc2ccnc(C(C)(C)C)c2)n1 ZINC001213163240 1119151789 /nfs/dbraw/zinc/15/17/89/1119151789.db2.gz ZRGKACXFFJKKKP-UHFFFAOYSA-N 0 1 299.374 3.694 20 0 CHADMN CCOC[C@H]1CCN(Cc2csc(C(F)(F)F)c2)C1 ZINC000628187586 1128825395 /nfs/dbraw/zinc/82/53/95/1128825395.db2.gz UOKKJQHKVMPRJI-JTQLQIEISA-N 0 1 293.354 3.625 20 0 CHADMN C[C@H]1CCN(Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC001167601984 1119161040 /nfs/dbraw/zinc/16/10/40/1119161040.db2.gz IDHYIOBKCVXJLX-LBPRGKRZSA-N 0 1 279.811 3.971 20 0 CHADMN Fc1ccc2c(c1)nccc2NC[C@H]1CSCCS1 ZINC000153085454 1119161909 /nfs/dbraw/zinc/16/19/09/1119161909.db2.gz XZBBCUXTBCVDTD-NSHDSACASA-N 0 1 294.420 3.634 20 0 CHADMN c1csc([C@@H](NCCC2CC2)c2ccccc2)n1 ZINC000342783898 1119165433 /nfs/dbraw/zinc/16/54/33/1119165433.db2.gz QEZPSCVKZCYIJF-AWEZNQCLSA-N 0 1 258.390 3.622 20 0 CHADMN c1csc([C@H](NCCC2CC2)c2ccccc2)n1 ZINC000342783900 1119165812 /nfs/dbraw/zinc/16/58/12/1119165812.db2.gz QEZPSCVKZCYIJF-CQSZACIVSA-N 0 1 258.390 3.622 20 0 CHADMN CC(C)C[C@@H]1CCN(Cc2ncc(C(C)(C)C)o2)C1 ZINC000074995095 1119171650 /nfs/dbraw/zinc/17/16/50/1119171650.db2.gz JYIAXNALXSEKFW-ZDUSSCGKSA-N 0 1 264.413 3.840 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccccn2)cc1Cl ZINC000342805081 1119183792 /nfs/dbraw/zinc/18/37/92/1119183792.db2.gz CWFQWUUEEALZRJ-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN Cc1nc2ccc(Nc3nc(C)nc4sccc43)cc2[nH]1 ZINC001213070308 1128827357 /nfs/dbraw/zinc/82/73/57/1128827357.db2.gz JUUFNESXXBXENV-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN CCC[C@H](NCc1cc(C)nc(C)n1)c1ccccc1 ZINC000342812105 1119187828 /nfs/dbraw/zinc/18/78/28/1119187828.db2.gz XYQCIUXNXUIMEE-KRWDZBQOSA-N 0 1 269.392 3.724 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(Br)c(F)c1C ZINC000657570600 1119190053 /nfs/dbraw/zinc/19/00/53/1119190053.db2.gz IHHPLCWZPRSLDL-UHFFFAOYSA-N 0 1 298.159 3.540 20 0 CHADMN CCCCCNC(=O)[C@H](C)N1CCC[C@@H]1c1ccsc1 ZINC000076989593 1119190241 /nfs/dbraw/zinc/19/02/41/1119190241.db2.gz ZKVUPYZTTIDUFE-DZGCQCFKSA-N 0 1 294.464 3.580 20 0 CHADMN C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(Cl)c1O ZINC000077010680 1119190631 /nfs/dbraw/zinc/19/06/31/1119190631.db2.gz VHNYFIPJTRNSQY-GWCFXTLKSA-N 0 1 297.782 3.579 20 0 CHADMN C[C@@H](NCc1cnc(N(C)C)s1)c1cccc(Cl)c1 ZINC000077324293 1119192310 /nfs/dbraw/zinc/19/23/10/1119192310.db2.gz IMTRCHNVYFMDOL-SNVBAGLBSA-N 0 1 295.839 3.713 20 0 CHADMN C[C@@H](Cc1cccs1)N(C)Cc1ncc(C2CC2)o1 ZINC001167609031 1119193873 /nfs/dbraw/zinc/19/38/73/1119193873.db2.gz RWBSLWXANYKCPE-NSHDSACASA-N 0 1 276.405 3.677 20 0 CHADMN Cc1ccnc(NCc2cccnc2C)c1C1CC1 ZINC000657613069 1119206677 /nfs/dbraw/zinc/20/66/77/1119206677.db2.gz QNSMUPFIGZGFDG-UHFFFAOYSA-N 0 1 253.349 3.583 20 0 CHADMN CCO[C@H]1C[C@H](NCc2csc(-c3ccsc3)n2)C1 ZINC000657611100 1119207646 /nfs/dbraw/zinc/20/76/46/1119207646.db2.gz VNKFVNSUMYIIPE-AULYBMBSSA-N 0 1 294.445 3.529 20 0 CHADMN COC[C@H](NCc1cc(C)ccc1C)c1cccc(OC)c1 ZINC000657611270 1119207851 /nfs/dbraw/zinc/20/78/51/1119207851.db2.gz LZKPFURSJDZRFZ-IBGZPJMESA-N 0 1 299.414 3.789 20 0 CHADMN CCCn1nccc1CN[C@@H](c1ccccc1F)C(C)C ZINC000657614414 1119208966 /nfs/dbraw/zinc/20/89/66/1119208966.db2.gz LKVGIJNZVNXUGC-QGZVFWFLSA-N 0 1 289.398 3.919 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1C[C@H](C)CC1(C)C ZINC000472262285 1119219849 /nfs/dbraw/zinc/21/98/49/1119219849.db2.gz WKTWTBCDQRXAKM-GFCCVEGCSA-N 0 1 289.398 3.816 20 0 CHADMN CC(C)c1ncc(CN(C)[C@H]2CCc3ccccc32)cn1 ZINC000685040756 1119238248 /nfs/dbraw/zinc/23/82/48/1119238248.db2.gz QQTUJWGXIVKAJK-KRWDZBQOSA-N 0 1 281.403 3.719 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](c2ncccc2C)C(C)C)c(C)n1 ZINC000120521937 1119242061 /nfs/dbraw/zinc/24/20/61/1119242061.db2.gz JXXIBGFHZGEPLB-PBHICJAKSA-N 0 1 298.434 3.845 20 0 CHADMN BrC1=CCCN(CCC2CCCC2)C1 ZINC000404167281 1119244698 /nfs/dbraw/zinc/24/46/98/1119244698.db2.gz JVSSTBSQDUTOSX-UHFFFAOYSA-N 0 1 258.203 3.551 20 0 CHADMN Cc1ncc(CN2CCC[C@@H]2/C=C\c2ccccc2)o1 ZINC000628236257 1128832286 /nfs/dbraw/zinc/83/22/86/1128832286.db2.gz VJDOKHFNLXWSOV-ZBTGYSDGSA-N 0 1 268.360 3.661 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000078741112 1119251017 /nfs/dbraw/zinc/25/10/17/1119251017.db2.gz FDZPQVSPICFUET-JTQLQIEISA-N 0 1 291.782 3.620 20 0 CHADMN Oc1ccc2c(c1)[C@H](NCc1ccc(F)c(Cl)c1)CC2 ZINC000657693838 1119251820 /nfs/dbraw/zinc/25/18/20/1119251820.db2.gz PJDCEMWIZCZUNT-MRXNPFEDSA-N 0 1 291.753 3.962 20 0 CHADMN Fc1ccc([C@H]2CCCN2Cc2cccnc2)cc1 ZINC000078796282 1119252768 /nfs/dbraw/zinc/25/27/68/1119252768.db2.gz NFCDLAXRJMSNKA-MRXNPFEDSA-N 0 1 256.324 3.558 20 0 CHADMN Cc1cccc([C@@H](C)N2CCC3(C2)Oc2ccccc2O3)c1 ZINC000685054081 1119259275 /nfs/dbraw/zinc/25/92/75/1119259275.db2.gz NXTWVTQCXFVLFF-OAHLLOKOSA-N 0 1 295.382 3.929 20 0 CHADMN Cc1ncc(CN2CC[C@@H](C)[C@@H]2c2cccc(F)c2)o1 ZINC000628185251 1119267776 /nfs/dbraw/zinc/26/77/76/1119267776.db2.gz RRPFRCOJRSNKET-BDJLRTHQSA-N 0 1 274.339 3.705 20 0 CHADMN c1nc(C2CC2)oc1CN1CCC[C@H](Nc2ccccc2)C1 ZINC000628185214 1119267801 /nfs/dbraw/zinc/26/78/01/1119267801.db2.gz PWOUGBTWMBTMPD-INIZCTEOSA-N 0 1 297.402 3.629 20 0 CHADMN CO[C@H]1CCCN(Cc2csc(C(F)(F)F)c2)CC1 ZINC000628236411 1128833891 /nfs/dbraw/zinc/83/38/91/1128833891.db2.gz AESIGTKNTBGHPG-NSHDSACASA-N 0 1 293.354 3.768 20 0 CHADMN CCC[C@@H](C)N(C)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000050813965 1119280252 /nfs/dbraw/zinc/28/02/52/1119280252.db2.gz MNGSMICDRYHIJK-SECBINFHSA-N 0 1 292.452 3.511 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)cn1 ZINC000153723529 1119281973 /nfs/dbraw/zinc/28/19/73/1119281973.db2.gz QALRTVCVEDIBHT-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1nccn1-c1ccc(CN[C@@H](C)c2ccco2)cc1F ZINC000153719676 1119282131 /nfs/dbraw/zinc/28/21/31/1119282131.db2.gz MCRQBJIIOJRDLE-LBPRGKRZSA-N 0 1 299.349 3.764 20 0 CHADMN Cc1ccccc1Cc1noc(CN2CCCCC[C@@H]2C)n1 ZINC000079435536 1119284585 /nfs/dbraw/zinc/28/45/85/1119284585.db2.gz UDUGQGHUCISGKF-HNNXBMFYSA-N 0 1 299.418 3.733 20 0 CHADMN CCN(Cc1ccc(C)nc1)[C@@H](C)c1cccc(O)c1 ZINC000153771459 1119285422 /nfs/dbraw/zinc/28/54/22/1119285422.db2.gz YCTIYXPVMJLKDT-AWEZNQCLSA-N 0 1 270.376 3.679 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1C[C@@H]2CSC[C@]2(C)C1 ZINC000934773972 1119286287 /nfs/dbraw/zinc/28/62/87/1119286287.db2.gz NNXIINDNSWGMFO-OZVIIMIRSA-N 0 1 294.464 3.718 20 0 CHADMN C[C@@H]1CCC[N@@H+](CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000052085850 1119288304 /nfs/dbraw/zinc/28/83/04/1119288304.db2.gz SEWHRKBTEMWVHC-CQSZACIVSA-N 0 1 294.398 3.880 20 0 CHADMN C[C@@H]1CCCN(CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000052085850 1119288307 /nfs/dbraw/zinc/28/83/07/1119288307.db2.gz SEWHRKBTEMWVHC-CQSZACIVSA-N 0 1 294.398 3.880 20 0 CHADMN C[C@H](c1ccccc1)[C@H](C)N[C@@H]1CCCC1(F)F ZINC000672621893 1119289459 /nfs/dbraw/zinc/28/94/59/1119289459.db2.gz NBCJJHLRYXHJKP-SGMGOOAPSA-N 0 1 253.336 3.956 20 0 CHADMN CC(C)CCc1noc(CN2C[C@@H](C)CCC[C@H]2C)n1 ZINC000525637021 1119291547 /nfs/dbraw/zinc/29/15/47/1119291547.db2.gz WEILKUICPQOKGJ-UONOGXRCSA-N 0 1 279.428 3.669 20 0 CHADMN Cc1ccc(CN2CCc3ccccc3[C@@H]2C)cn1 ZINC000153862142 1119292375 /nfs/dbraw/zinc/29/23/75/1119292375.db2.gz BJRCKKDIXDTQSQ-AWEZNQCLSA-N 0 1 252.361 3.509 20 0 CHADMN Cn1ccc(CNCc2nc3cc(Cl)ccc3s2)c1 ZINC000343060406 1119294449 /nfs/dbraw/zinc/29/44/49/1119294449.db2.gz BGFCZNDICJGBMW-UHFFFAOYSA-N 0 1 291.807 3.578 20 0 CHADMN c1ccc(NCc2ccc(Nc3ccncc3)cc2)cc1 ZINC001212298374 1128835673 /nfs/dbraw/zinc/83/56/73/1128835673.db2.gz SQBNQAMAJHWBEK-UHFFFAOYSA-N 0 1 275.355 3.859 20 0 CHADMN Cc1ccc(CN2C[C@@H](C)[C@@H]2c2ccccc2)cn1 ZINC000154009471 1119299354 /nfs/dbraw/zinc/29/93/54/1119299354.db2.gz PGNFUMMPQFYVKN-CXAGYDPISA-N 0 1 252.361 3.583 20 0 CHADMN C[C@@]1(O)CCCN(Cc2csc(C(F)(F)F)c2)CC1 ZINC000628255140 1128836072 /nfs/dbraw/zinc/83/60/72/1128836072.db2.gz COAXUYKRUOEVCX-GFCCVEGCSA-N 0 1 293.354 3.504 20 0 CHADMN COCc1ccc(CN[C@@H](c2cccs2)C2CC2)o1 ZINC000343087940 1119306432 /nfs/dbraw/zinc/30/64/32/1119306432.db2.gz XNWSXUDYOGQFMX-OAHLLOKOSA-N 0 1 277.389 3.728 20 0 CHADMN Cc1nc2ccc(Nc3nnc(C(C)(C)C)s3)cc2[nH]1 ZINC001213070460 1128836521 /nfs/dbraw/zinc/83/65/21/1128836521.db2.gz QZNZOVZACNXAMS-UHFFFAOYSA-N 0 1 287.392 3.764 20 0 CHADMN Cn1cncc1Nc1ccc(CNc2ccccc2)cc1 ZINC001212300465 1128836585 /nfs/dbraw/zinc/83/65/85/1128836585.db2.gz VXNVPHYPMFRVLI-UHFFFAOYSA-N 0 1 278.359 3.776 20 0 CHADMN C[C@@H](NCC(C)(C)CO)c1cc(Cl)sc1Cl ZINC000131073643 1119311481 /nfs/dbraw/zinc/31/14/81/1119311481.db2.gz PBIYJCMQTFIYHR-SSDOTTSWSA-N 0 1 282.236 3.724 20 0 CHADMN CC(C)Oc1cccc(C[N@@H+](C)[C@@H](CO)c2ccccc2)c1 ZINC000343117425 1119317586 /nfs/dbraw/zinc/31/75/86/1119317586.db2.gz MEBJJJDHZRFJTH-IBGZPJMESA-N 0 1 299.414 3.639 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccnc2N(C)C)cc1C ZINC000154753760 1119318784 /nfs/dbraw/zinc/31/87/84/1119318784.db2.gz KWRMJPFUNMJVSZ-HNNXBMFYSA-N 0 1 283.419 3.615 20 0 CHADMN Cc1nc2cc(N[C@H]3COCc4ccccc43)ccc2[nH]1 ZINC000225989567 1119320180 /nfs/dbraw/zinc/32/01/80/1119320180.db2.gz NACSUOMOPHQTQE-KRWDZBQOSA-N 0 1 279.343 3.555 20 0 CHADMN COc1cc(CN[C@@H](C)c2cncs2)c2ccccc2n1 ZINC000124867110 1119321959 /nfs/dbraw/zinc/32/19/59/1119321959.db2.gz GLUHDGUMCCXQGA-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN Cc1nc(C)c(CN[C@H]2CCCc3ccc(F)cc32)o1 ZINC000628256415 1128837850 /nfs/dbraw/zinc/83/78/50/1128837850.db2.gz VYVIQJSVXZQBRG-HNNXBMFYSA-N 0 1 274.339 3.598 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnc(C)cn1)c1ccc(OC)cc1 ZINC000428305361 1119326332 /nfs/dbraw/zinc/32/63/32/1119326332.db2.gz KCBQKLHJKCWGTD-XJKSGUPXSA-N 0 1 285.391 3.596 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2)cc1C ZINC000025416945 1119326455 /nfs/dbraw/zinc/32/64/55/1119326455.db2.gz XPTWLRORAOHBKX-MRXNPFEDSA-N 0 1 296.414 3.762 20 0 CHADMN COc1cccc([C@@H](C)N[C@H](C)c2c(C)noc2C)c1 ZINC000092326770 1119326926 /nfs/dbraw/zinc/32/69/26/1119326926.db2.gz IMDOEGCEVOBGJA-GHMZBOCLSA-N 0 1 274.364 3.712 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2c(C)noc2C)cc1F ZINC000092326368 1119327550 /nfs/dbraw/zinc/32/75/50/1119327550.db2.gz XXWWAPHIJKGLPN-UWVGGRQHSA-N 0 1 292.354 3.851 20 0 CHADMN CC[C@@H](COC)N[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000155270221 1119331164 /nfs/dbraw/zinc/33/11/64/1119331164.db2.gz MPJIKXVTFZBVEP-IUCAKERBSA-N 0 1 296.358 3.628 20 0 CHADMN Cn1nccc1[C@@H]1CCCCN1Cc1ccc2[nH]ccc2c1 ZINC000628259704 1128838720 /nfs/dbraw/zinc/83/87/20/1128838720.db2.gz FEORCFNFUSBTOV-SFHVURJKSA-N 0 1 294.402 3.629 20 0 CHADMN CCCc1ncc(CNC/C=C\c2ccc(F)cc2)o1 ZINC000449615375 1119336073 /nfs/dbraw/zinc/33/60/73/1119336073.db2.gz YPUUCJHHORQGIZ-HYXAFXHYSA-N 0 1 274.339 3.569 20 0 CHADMN C[C@@H](N[C@H]1CCc2cccnc21)c1ccc(F)cc1 ZINC000226800467 1119337205 /nfs/dbraw/zinc/33/72/05/1119337205.db2.gz NJYBFMTWVHIJPS-ABAIWWIYSA-N 0 1 256.324 3.559 20 0 CHADMN CC[C@H]1CCC[C@H](C[N@@H+](CC(=O)[O-])Cc2ccccc2)C1 ZINC000692417085 1119337743 /nfs/dbraw/zinc/33/77/43/1119337743.db2.gz YTACRBUSYPEPAT-RDJZCZTQSA-N 0 1 289.419 3.790 20 0 CHADMN Cn1ccc(CNCc2ccc(-c3ccccc3F)o2)c1 ZINC000343187798 1119344135 /nfs/dbraw/zinc/34/41/35/1119344135.db2.gz KTEIISSADILEFA-UHFFFAOYSA-N 0 1 284.334 3.714 20 0 CHADMN CCOc1cccc([C@H](C)NCc2ccc(COC)o2)c1 ZINC000126284902 1119345696 /nfs/dbraw/zinc/34/56/96/1119345696.db2.gz JJUSCFXSNSQRBE-ZDUSSCGKSA-N 0 1 289.375 3.676 20 0 CHADMN CC([NH2+]Cc1cccc([O-])c1Cl)(C1CC1)C1CC1 ZINC000657755511 1119347012 /nfs/dbraw/zinc/34/70/12/1119347012.db2.gz JAWQXXCVUYWNFE-UHFFFAOYSA-N 0 1 265.784 3.714 20 0 CHADMN CCC[C@H](NC[C@H](OC)C1CC1)c1ncccc1Cl ZINC000926488402 1119353249 /nfs/dbraw/zinc/35/32/49/1119353249.db2.gz BYCICSNSXFDEHE-KBPBESRZSA-N 0 1 282.815 3.591 20 0 CHADMN Cc1nc2ccc(Nc3nc(C)c(C)s3)cc2[nH]1 ZINC001213070618 1128840066 /nfs/dbraw/zinc/84/00/66/1128840066.db2.gz ZECHJSHQJMVJGB-UHFFFAOYSA-N 0 1 258.350 3.688 20 0 CHADMN COc1cc(C)nc(CN(C)[C@H](C)c2ccc(F)cc2)c1 ZINC000536033687 1119361012 /nfs/dbraw/zinc/36/10/12/1119361012.db2.gz ALDDPKZOCDRUKC-CYBMUJFWSA-N 0 1 288.366 3.731 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@@H]1CCc2ccc(C)cc21 ZINC000126749108 1119364743 /nfs/dbraw/zinc/36/47/43/1119364743.db2.gz SCXCGXYZSFTHNX-MEDUHNTESA-N 0 1 270.376 3.938 20 0 CHADMN Cc1cccc2c1[C@@H](NCc1cc(F)cnc1Cl)CC2 ZINC000926504387 1119371461 /nfs/dbraw/zinc/37/14/61/1119371461.db2.gz UAUCFKAIRFNTSM-AWEZNQCLSA-N 0 1 290.769 3.960 20 0 CHADMN CCOC[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2Cl)C1 ZINC000192026193 1119382383 /nfs/dbraw/zinc/38/23/83/1119382383.db2.gz HQIXNOKBZWXMEG-ZDUSSCGKSA-N 0 1 297.826 3.597 20 0 CHADMN CCOC[C@H]1CCCN(Cc2cc(OC)ccc2Cl)C1 ZINC000192026193 1119382387 /nfs/dbraw/zinc/38/23/87/1119382387.db2.gz HQIXNOKBZWXMEG-ZDUSSCGKSA-N 0 1 297.826 3.597 20 0 CHADMN c1c2ccccc2[nH]c1CN1CCOC(C2CC2)(C2CC2)C1 ZINC000668684799 1119388543 /nfs/dbraw/zinc/38/85/43/1119388543.db2.gz VDGIQPYNDNOONK-UHFFFAOYSA-N 0 1 296.414 3.559 20 0 CHADMN C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccccc1 ZINC000175410618 1119396085 /nfs/dbraw/zinc/39/60/85/1119396085.db2.gz QBTPWACJJQPWBJ-VBKZILBWSA-N 0 1 287.428 3.617 20 0 CHADMN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccccc1 ZINC000175410618 1119396087 /nfs/dbraw/zinc/39/60/87/1119396087.db2.gz QBTPWACJJQPWBJ-VBKZILBWSA-N 0 1 287.428 3.617 20 0 CHADMN COC1(CC[N@H+]2CC[C@@](F)(c3ccccc3)C2)CCC1 ZINC000518800484 1119396249 /nfs/dbraw/zinc/39/62/49/1119396249.db2.gz ZKGZXLJTZOMVFV-KRWDZBQOSA-N 0 1 277.383 3.516 20 0 CHADMN c1nc(C2CC2)oc1CN1CC(C2CCCCC2)C1 ZINC000628306407 1128844279 /nfs/dbraw/zinc/84/42/79/1128844279.db2.gz AZSCBNOWZGWLDB-UHFFFAOYSA-N 0 1 260.381 3.564 20 0 CHADMN FC(F)(F)CC1CN(Cc2ccc3cc[nH]c3c2)C1 ZINC000628306983 1128844623 /nfs/dbraw/zinc/84/46/23/1128844623.db2.gz HPQRIRUWEKOZSQ-UHFFFAOYSA-N 0 1 268.282 3.552 20 0 CHADMN C[C@H](NCC[C@H]1CCc2ccccc2N1)c1nccs1 ZINC000650760872 1119420839 /nfs/dbraw/zinc/42/08/39/1119420839.db2.gz NXSQBQWDPSULCD-GXTWGEPZSA-N 0 1 287.432 3.611 20 0 CHADMN C[C@H](NCC[C@@H]1CCc2ccccc2N1)c1nccs1 ZINC000650760873 1119421189 /nfs/dbraw/zinc/42/11/89/1119421189.db2.gz NXSQBQWDPSULCD-JSGCOSHPSA-N 0 1 287.432 3.611 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2NCc1c(Cl)cnn1C ZINC000657799292 1119422317 /nfs/dbraw/zinc/42/23/17/1119422317.db2.gz UFDPONWJBFZLJN-HNNXBMFYSA-N 0 1 289.810 3.549 20 0 CHADMN NC1(c2noc([C@@H]3CC[C@@H]4CCCC[C@@H]4C3)n2)CCCC1 ZINC000168295602 1119431051 /nfs/dbraw/zinc/43/10/51/1119431051.db2.gz ZHYPAUJWAHTCGG-BFHYXJOUSA-N 0 1 289.423 3.872 20 0 CHADMN CC[C@H]1CN(Cc2ccc3[nH]ccc3c2)C[C@H](CC)O1 ZINC000628315481 1128845826 /nfs/dbraw/zinc/84/58/26/1128845826.db2.gz MOZSYHKSTYKMOX-HOTGVXAUSA-N 0 1 272.392 3.557 20 0 CHADMN CCOc1ncccc1CN[C@@H](C)c1ccc(C)cc1C ZINC000151206416 1119436470 /nfs/dbraw/zinc/43/64/70/1119436470.db2.gz FGTNVCSIRIWDPT-HNNXBMFYSA-N 0 1 284.403 3.948 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)Cc1cc(C)on1 ZINC000628140358 1119438722 /nfs/dbraw/zinc/43/87/22/1119438722.db2.gz IDFGZPFRKOAADM-ZIAGYGMSSA-N 0 1 250.386 3.631 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1CN(C)Cc1cc(C)on1 ZINC000628140358 1119438723 /nfs/dbraw/zinc/43/87/23/1119438723.db2.gz IDFGZPFRKOAADM-ZIAGYGMSSA-N 0 1 250.386 3.631 20 0 CHADMN COC(=O)c1cc(CN2CC=C(C(C)(C)C)CC2)c(C)o1 ZINC000536168742 1119439542 /nfs/dbraw/zinc/43/95/42/1119439542.db2.gz FQHOQTUXZBBXCD-UHFFFAOYSA-N 0 1 291.391 3.553 20 0 CHADMN C[C@H](NCc1ccc(Cl)cc1)c1cncs1 ZINC000132058201 1119441387 /nfs/dbraw/zinc/44/13/87/1119441387.db2.gz DOMLZWMEELJSKD-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN COc1ccc(CN(C)Cc2ccc3ccccc3c2)cn1 ZINC000343545133 1119449558 /nfs/dbraw/zinc/44/95/58/1119449558.db2.gz HTEDXRQAJARXCI-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN Cc1oc(C[N@H+](C)[C@H](C)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000583999692 1119451150 /nfs/dbraw/zinc/45/11/50/1119451150.db2.gz UWWKQDLGISTLKS-GFCCVEGCSA-N 0 1 287.359 3.788 20 0 CHADMN C[C@H](N[C@@H]1CCCn2nccc21)c1ccccc1Cl ZINC000657816290 1119453918 /nfs/dbraw/zinc/45/39/18/1119453918.db2.gz LXWSHINPFJFYCI-SMDDNHRTSA-N 0 1 275.783 3.722 20 0 CHADMN Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000343559622 1119454791 /nfs/dbraw/zinc/45/47/91/1119454791.db2.gz XVWGVCUFEXSJQP-SFHVURJKSA-N 0 1 283.419 3.589 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H](C)c1cnccn1)C1CC1 ZINC000343563636 1119456113 /nfs/dbraw/zinc/45/61/13/1119456113.db2.gz AHRUFYIVBHHBCN-SUMWQHHRSA-N 0 1 267.376 3.587 20 0 CHADMN c1ccc(-c2nnc(CN3CCC4(CCC4)CC3)o2)cc1 ZINC000375743444 1119459186 /nfs/dbraw/zinc/45/91/86/1119459186.db2.gz NRMFNBPZLHYMSN-UHFFFAOYSA-N 0 1 283.375 3.503 20 0 CHADMN C[C@H](O)[C@H](NCc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000657820523 1119462503 /nfs/dbraw/zinc/46/25/03/1119462503.db2.gz WXNJTOOENIWRDC-ZBEGNZNMSA-N 0 1 293.769 3.691 20 0 CHADMN CC(C)[N@@H+](C)Cc1ccc(-c2ccncc2)cc1F ZINC000158703917 1119467108 /nfs/dbraw/zinc/46/71/08/1119467108.db2.gz CAGDYZFWADTLNY-UHFFFAOYSA-N 0 1 258.340 3.728 20 0 CHADMN Cc1nn(C(C)C)cc1C[N@H+]1CCc2cccc(C)c2C1 ZINC000343607445 1119468479 /nfs/dbraw/zinc/46/84/79/1119468479.db2.gz WQZUIYROJWBZMS-UHFFFAOYSA-N 0 1 283.419 3.639 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCc2cccc(C)c2C1 ZINC000343607445 1119468480 /nfs/dbraw/zinc/46/84/80/1119468480.db2.gz WQZUIYROJWBZMS-UHFFFAOYSA-N 0 1 283.419 3.639 20 0 CHADMN O=C(C[C@@H]1CCCN1C/C=C\Cl)c1ccc(F)cc1 ZINC000255089218 1119472549 /nfs/dbraw/zinc/47/25/49/1119472549.db2.gz HBRNMDOJZSBODE-OLUUIJGHSA-N 0 1 281.758 3.615 20 0 CHADMN C[C@H](N[C@@H]1CCCn2nccc21)c1ccc(Cl)s1 ZINC000657829018 1119478833 /nfs/dbraw/zinc/47/88/33/1119478833.db2.gz XLNSZXNYIRCRQJ-VHSXEESVSA-N 0 1 281.812 3.784 20 0 CHADMN CC(C)C[C@@H](C[N@H+](CC(=O)[O-])CC1CC1)c1ccccc1 ZINC000650799300 1119483697 /nfs/dbraw/zinc/48/36/97/1119483697.db2.gz YPIUAOSPDZHVHR-KRWDZBQOSA-N 0 1 289.419 3.613 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N[C@@H](C)C(C)(C)CC)o1 ZINC000617571339 1128849209 /nfs/dbraw/zinc/84/92/09/1128849209.db2.gz LBEAQQUBNJCMMV-ZDUSSCGKSA-N 0 1 294.439 3.676 20 0 CHADMN CCCCC[C@@H](C)N[C@@H](c1nc(C)no1)C(C)C ZINC000167916732 1119489468 /nfs/dbraw/zinc/48/94/68/1119489468.db2.gz AQGZXROJXKGAPX-DGCLKSJQSA-N 0 1 253.390 3.634 20 0 CHADMN Cc1ccoc1CNCc1ccc(-n2ccnc2C)c(F)c1 ZINC000343732212 1119496763 /nfs/dbraw/zinc/49/67/63/1119496763.db2.gz GEYYIIFDLXXVFP-UHFFFAOYSA-N 0 1 299.349 3.511 20 0 CHADMN CN(CCC1CC1)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000135275472 1119496969 /nfs/dbraw/zinc/49/69/69/1119496969.db2.gz PJEWWLNEKBDNIL-UHFFFAOYSA-N 0 1 291.782 3.622 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CCC[C@H](C)CC1 ZINC000343731052 1119496988 /nfs/dbraw/zinc/49/69/88/1119496988.db2.gz YSTTVRQVHOOFQW-ZDUSSCGKSA-N 0 1 289.398 3.817 20 0 CHADMN CN(CCC1CC1)Cc1coc(-c2cccs2)n1 ZINC000135307288 1119497805 /nfs/dbraw/zinc/49/78/05/1119497805.db2.gz YJDLJIRSLKCMLS-UHFFFAOYSA-N 0 1 262.378 3.635 20 0 CHADMN CCOc1ccc(C[C@H](C)CN[C@@H](C)c2ncco2)cc1 ZINC000926557748 1119498948 /nfs/dbraw/zinc/49/89/48/1119498948.db2.gz DZMLPJFDJUZDNA-KBPBESRZSA-N 0 1 288.391 3.603 20 0 CHADMN COc1cncc(CN[C@H](C)c2cc3ccccc3o2)c1 ZINC000343748782 1119502374 /nfs/dbraw/zinc/50/23/74/1119502374.db2.gz IOGZAFNXFGIINB-GFCCVEGCSA-N 0 1 282.343 3.687 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@@H]2CCC2CCCC2)n1 ZINC000628190649 1119503771 /nfs/dbraw/zinc/50/37/71/1119503771.db2.gz MGQUCHJWXVKDRI-OAHLLOKOSA-N 0 1 261.413 3.653 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1CCCC[C@@H](C)C1 ZINC000248549525 1128851576 /nfs/dbraw/zinc/85/15/76/1128851576.db2.gz HJHHVPWUKAXVCZ-VXGBXAGGSA-N 0 1 291.420 3.981 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)[C@@H]2CCC[C@H]21 ZINC000378718152 1119523338 /nfs/dbraw/zinc/52/33/38/1119523338.db2.gz DDNNQVFJIWAQBR-UKRRQHHQSA-N 0 1 291.366 3.534 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1c(F)cccc1F ZINC000084390949 1119526547 /nfs/dbraw/zinc/52/65/47/1119526547.db2.gz VZQLXIWTFZFFJL-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN C[C@H](NC1(c2ccccc2F)CCC1)c1ccncc1 ZINC000647333653 1119529762 /nfs/dbraw/zinc/52/97/62/1119529762.db2.gz WIXAXHCVPPNWSZ-ZDUSSCGKSA-N 0 1 270.351 3.951 20 0 CHADMN Cc1sccc1CN1Cc2ccccc2O[C@H](C)C1 ZINC000353592430 1119533178 /nfs/dbraw/zinc/53/31/78/1119533178.db2.gz JTAVYKBFIJNXJI-GFCCVEGCSA-N 0 1 273.401 3.840 20 0 CHADMN CC[C@@]1(C)CC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000584416343 1119533927 /nfs/dbraw/zinc/53/39/27/1119533927.db2.gz YYJFDJFDJTYNKP-HNNXBMFYSA-N 0 1 281.783 3.660 20 0 CHADMN Cc1ccc(CNCc2ccc(OC(F)(F)F)cc2)nc1 ZINC000400824771 1119535384 /nfs/dbraw/zinc/53/53/84/1119535384.db2.gz JYYZCPMCLXIUBV-UHFFFAOYSA-N 0 1 296.292 3.578 20 0 CHADMN Cc1csc(CN2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000088595920 1119537453 /nfs/dbraw/zinc/53/74/53/1119537453.db2.gz QYIYNACZCCEFHJ-ZDUSSCGKSA-N 0 1 276.380 3.580 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2C[C@@H]1C)c1nccs1 ZINC000089613712 1119539980 /nfs/dbraw/zinc/53/99/80/1119539980.db2.gz NBIQCJFNCRCIKI-MJVIPROJSA-N 0 1 258.390 3.727 20 0 CHADMN COc1cccc2c1OCC[C@H]2N[C@H](C)c1ccccc1 ZINC000089553185 1119541811 /nfs/dbraw/zinc/54/18/11/1119541811.db2.gz DFVJQLDNWAHJDK-CZUORRHYSA-N 0 1 283.371 3.870 20 0 CHADMN C[C@H](N[C@H]1CCc2ccc(F)cc21)c1cncc(F)c1 ZINC000089552363 1119542400 /nfs/dbraw/zinc/54/24/00/1119542400.db2.gz QPYKRRNCMYJYOB-QFYYESIMSA-N 0 1 274.314 3.698 20 0 CHADMN Cc1cc(-c2nnc(CN3CCC[C@H](C)CC3)o2)c(C)o1 ZINC000089888650 1119543719 /nfs/dbraw/zinc/54/37/19/1119543719.db2.gz AZVWNIHEHIYWKQ-NSHDSACASA-N 0 1 289.379 3.568 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccsc1)CO2 ZINC000090452925 1119544783 /nfs/dbraw/zinc/54/47/83/1119544783.db2.gz NUKKRZNAASWDTQ-SMDDNHRTSA-N 0 1 259.374 3.841 20 0 CHADMN C[C@H](N[C@H]1C[C@@H]1C1CCCCC1)c1nccs1 ZINC000090105409 1119545780 /nfs/dbraw/zinc/54/57/80/1119545780.db2.gz ADHFIEFTKJRDKJ-UHTWSYAYSA-N 0 1 250.411 3.763 20 0 CHADMN Cc1ccc([C@H](NCc2ncccc2F)C2CC2)cc1 ZINC000091402762 1119556338 /nfs/dbraw/zinc/55/63/38/1119556338.db2.gz JBQQOBVHUQZPSK-KRWDZBQOSA-N 0 1 270.351 3.770 20 0 CHADMN CCc1ncc(CN(CC)[C@H](C)c2cccc(O)c2)s1 ZINC000091974805 1119560306 /nfs/dbraw/zinc/56/03/06/1119560306.db2.gz BHHHIPBKIASBLX-GFCCVEGCSA-N 0 1 290.432 3.994 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H](C)c3cccc(C)c3)ccc12 ZINC000091825362 1119560637 /nfs/dbraw/zinc/56/06/37/1119560637.db2.gz CEEYRJPOMUXGSE-LBPRGKRZSA-N 0 1 293.370 3.922 20 0 CHADMN Cc1ncc(CN[C@@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000628213529 1119563505 /nfs/dbraw/zinc/56/35/05/1119563505.db2.gz NNCAWAQGPXPEGV-MRXNPFEDSA-N 0 1 274.339 3.753 20 0 CHADMN Clc1ccc(CN2CCC[C@H](c3nccs3)C2)o1 ZINC000092788441 1119567332 /nfs/dbraw/zinc/56/73/32/1119567332.db2.gz KQAZOYLXUANQDN-JTQLQIEISA-N 0 1 282.796 3.769 20 0 CHADMN COc1ccsc1CN(C)Cc1ccc(OC)c(C)c1 ZINC000092787082 1119567597 /nfs/dbraw/zinc/56/75/97/1119567597.db2.gz OJKRQTAXTNKXMU-UHFFFAOYSA-N 0 1 291.416 3.706 20 0 CHADMN C[C@H]1CC[C@@H](N(C)Cc2nccn2Cc2ccccc2)C1 ZINC000093337066 1119569082 /nfs/dbraw/zinc/56/90/82/1119569082.db2.gz WVBSSCYMGHLZLZ-DOTOQJQBSA-N 0 1 283.419 3.552 20 0 CHADMN CCc1ncc(CN2CCc3ccccc3[C@@H]2C)s1 ZINC000093149272 1119570004 /nfs/dbraw/zinc/57/00/04/1119570004.db2.gz ZWAKQDHBNVKION-LBPRGKRZSA-N 0 1 272.417 3.825 20 0 CHADMN C[C@@H](c1cccnc1)N(C)CCO[C@H]1CCCC[C@H]1C ZINC000093234704 1119570796 /nfs/dbraw/zinc/57/07/96/1119570796.db2.gz WBUHVVCFUUIOPC-VYDXJSESSA-N 0 1 276.424 3.670 20 0 CHADMN COCc1ccc(CN2C[C@H](C)[C@H]2c2ccccc2)o1 ZINC000093867417 1119572961 /nfs/dbraw/zinc/57/29/61/1119572961.db2.gz RJUYZYVKLGGYGO-GUYCJALGSA-N 0 1 271.360 3.619 20 0 CHADMN CC[C@H](NCc1ccc(C)nc1)c1cc(C)ccc1OC ZINC000093398940 1119573668 /nfs/dbraw/zinc/57/36/68/1119573668.db2.gz KADMKJLNQCBDFY-KRWDZBQOSA-N 0 1 284.403 3.948 20 0 CHADMN COc1ccsc1CN1CCC[C@H]1c1cccc(C)n1 ZINC000093445034 1119574665 /nfs/dbraw/zinc/57/46/65/1119574665.db2.gz NTCYGQQVLPUZEX-AWEZNQCLSA-N 0 1 288.416 3.797 20 0 CHADMN CCCc1nc(CN(C)C2Cc3ccccc3C2)cs1 ZINC000138440332 1119578739 /nfs/dbraw/zinc/57/87/39/1119578739.db2.gz FMHXFTXWTSHLAO-UHFFFAOYSA-N 0 1 286.444 3.695 20 0 CHADMN C[C@@H](N[C@H]1CCc2c1cccc2O)c1cc2cnccc2o1 ZINC000657870443 1119579897 /nfs/dbraw/zinc/57/98/97/1119579897.db2.gz DMSXUXJPIUNECZ-ABAIWWIYSA-N 0 1 294.354 3.872 20 0 CHADMN C[C@H](N[C@H]1CCc2c1cccc2O)c1cc2cnccc2o1 ZINC000657870446 1119580094 /nfs/dbraw/zinc/58/00/94/1119580094.db2.gz DMSXUXJPIUNECZ-NHYWBVRUSA-N 0 1 294.354 3.872 20 0 CHADMN CC(C)c1nc(CN(C)C2Cc3ccccc3C2)cs1 ZINC000141369409 1119580806 /nfs/dbraw/zinc/58/08/06/1119580806.db2.gz JDUNPCOOJBBHQF-UHFFFAOYSA-N 0 1 286.444 3.866 20 0 CHADMN FCC1(CF)CC(NCc2coc(-c3ccccc3)n2)C1 ZINC000657894116 1119618197 /nfs/dbraw/zinc/61/81/97/1119618197.db2.gz WCCCLPWJHGDSSS-UHFFFAOYSA-N 0 1 292.329 3.519 20 0 CHADMN COc1cc(C)ccc1CN[C@H](C)c1cc2cnccc2o1 ZINC000657902815 1119619980 /nfs/dbraw/zinc/61/99/80/1119619980.db2.gz AKXQABORZUVADO-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN CO[C@H](C)c1nc(CN[C@@H](C)C(C)(C)C(F)F)cs1 ZINC000657902785 1119620256 /nfs/dbraw/zinc/62/02/56/1119620256.db2.gz QJHMMMCNYMBWLW-BDAKNGLRSA-N 0 1 292.395 3.620 20 0 CHADMN Cc1cc(CN[C@@H]2c3ccccc3CCC[C@@H]2C)on1 ZINC000631114133 1119621708 /nfs/dbraw/zinc/62/17/08/1119621708.db2.gz WELXUERZPJCHLN-SJCJKPOMSA-N 0 1 270.376 3.786 20 0 CHADMN Cc1cccc(CN[C@H](C)c2ccc(F)c(F)c2)n1 ZINC000051573792 1119622524 /nfs/dbraw/zinc/62/25/24/1119622524.db2.gz MULZPZITDFGSBT-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN Cc1cccc(CN[C@H](C)c2ccc(OC(F)F)cc2)n1 ZINC000051574806 1119622743 /nfs/dbraw/zinc/62/27/43/1119622743.db2.gz UMDQRBYMZARBCO-GFCCVEGCSA-N 0 1 292.329 3.842 20 0 CHADMN COc1ccc(C)cc1CN[C@@H](C)c1cc2cnccc2o1 ZINC000657907855 1119625456 /nfs/dbraw/zinc/62/54/56/1119625456.db2.gz CTZAPHHGDUAITH-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1cccnc1C ZINC000131175657 1119628285 /nfs/dbraw/zinc/62/82/85/1119628285.db2.gz JXBPGHOJUSSMPD-ZDUSSCGKSA-N 0 1 286.423 3.501 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2cc(C(C)(C)C)on2)C1 ZINC000685565603 1119631145 /nfs/dbraw/zinc/63/11/45/1119631145.db2.gz KDOPVMAHWIMNHM-NEPJUHHUSA-N 0 1 250.386 3.593 20 0 CHADMN C[C@H](N[C@H]1CCCC12CCCCC2)c1csnn1 ZINC000398303347 1119636925 /nfs/dbraw/zinc/63/69/25/1119636925.db2.gz NYNBCAVNDQHJAI-AAEUAGOBSA-N 0 1 265.426 3.692 20 0 CHADMN CC[C@@H]1CCC[C@H](N[C@H](C)c2csnn2)CC1 ZINC000398222676 1119637120 /nfs/dbraw/zinc/63/71/20/1119637120.db2.gz DQMXPUVOOCJXJV-UTUOFQBUSA-N 0 1 253.415 3.548 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1nc(-c2ccccc2)no1 ZINC000685612507 1119637887 /nfs/dbraw/zinc/63/78/87/1119637887.db2.gz FNJZRTWVBJVPGI-CYBMUJFWSA-N 0 1 273.380 3.747 20 0 CHADMN Cc1c[nH]nc1CN[C@H](C)c1cc2ccccc2s1 ZINC000685615460 1119638462 /nfs/dbraw/zinc/63/84/62/1119638462.db2.gz GNXFZYGSIONZGO-LLVKDONJSA-N 0 1 271.389 3.784 20 0 CHADMN CC1=C[C@H](C)C[C@@H](CNc2cnn(-c3ccncc3)c2)C1 ZINC000685614777 1119638610 /nfs/dbraw/zinc/63/86/10/1119638610.db2.gz BCBZOXYOYWMPOZ-DZGCQCFKSA-N 0 1 282.391 3.672 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cc(O)cc(Cl)c1 ZINC000892409577 1119640537 /nfs/dbraw/zinc/64/05/37/1119640537.db2.gz IHQSTMNHSWXTPL-LLVKDONJSA-N 0 1 291.778 3.905 20 0 CHADMN CC[C@@H]1CCN(Cc2cc(Br)cs2)C1 ZINC000158003941 1119641174 /nfs/dbraw/zinc/64/11/74/1119641174.db2.gz DUNHWPNDCGNFAA-SECBINFHSA-N 0 1 274.227 3.743 20 0 CHADMN C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cc2ccncc2s1 ZINC000657925847 1119642611 /nfs/dbraw/zinc/64/26/11/1119642611.db2.gz POSZESHOIGMWAG-ZWNOBZJWSA-N 0 1 298.415 3.748 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1cc2ccncc2s1 ZINC000657925847 1119642612 /nfs/dbraw/zinc/64/26/12/1119642612.db2.gz POSZESHOIGMWAG-ZWNOBZJWSA-N 0 1 298.415 3.748 20 0 CHADMN CC[C@H](CN[C@H](C)c1cc(C)on1)Oc1ccccc1C ZINC000685650392 1119644530 /nfs/dbraw/zinc/64/45/30/1119644530.db2.gz XHCAPCUIVFUHCL-HUUCEWRRSA-N 0 1 288.391 3.800 20 0 CHADMN Cc1cccc(CNCc2cscc2Cl)c1 ZINC000309717913 1119651725 /nfs/dbraw/zinc/65/17/25/1119651725.db2.gz USUYRZPNLBRLNW-UHFFFAOYSA-N 0 1 251.782 4.000 20 0 CHADMN CC1(C)[C@H](Nc2cnn(-c3ccncc3)c2)[C@@H]2CCC[C@@H]21 ZINC000657954739 1119652607 /nfs/dbraw/zinc/65/26/07/1119652607.db2.gz BYSPKUFHBJZJMO-OWCLPIDISA-N 0 1 282.391 3.504 20 0 CHADMN Cc1nc2cc(N[C@@H]3CCCSCC3)ccc2n1C ZINC000657967601 1119654492 /nfs/dbraw/zinc/65/44/92/1119654492.db2.gz PCRNWSWDZLXADH-GFCCVEGCSA-N 0 1 275.421 3.579 20 0 CHADMN COc1ccc(CN[C@@H]2CCSc3ccccc32)o1 ZINC000892415403 1119654988 /nfs/dbraw/zinc/65/49/88/1119654988.db2.gz GOXPUPVWEIJUIN-CYBMUJFWSA-N 0 1 275.373 3.615 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccc(C(F)F)nc1 ZINC000657970215 1119656894 /nfs/dbraw/zinc/65/68/94/1119656894.db2.gz ZGKIMJYKCRHMNX-ZJUUUORDSA-N 0 1 295.308 3.965 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@H](c3ccc(F)cc3)CC2)n1 ZINC000628234570 1119661385 /nfs/dbraw/zinc/66/13/85/1119661385.db2.gz FMGSPUBMALQASA-AWEZNQCLSA-N 0 1 287.382 3.627 20 0 CHADMN COc1cc(F)cc(CNCc2ccc(F)c(C)c2)c1 ZINC000093970624 1119662741 /nfs/dbraw/zinc/66/27/41/1119662741.db2.gz ILSKHUSTKYDUHB-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@H]1CCCn2nccc21 ZINC000658003964 1119665178 /nfs/dbraw/zinc/66/51/78/1119665178.db2.gz WPRUIGZLMVFPKP-OCCSQVGLSA-N 0 1 287.432 3.791 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1cc2ccncc2s1 ZINC000658027296 1119665750 /nfs/dbraw/zinc/66/57/50/1119665750.db2.gz BPEBARMQNDLCGU-NTZNESFSSA-N 0 1 298.415 3.849 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2cc3ccncc3s2)o1 ZINC000658029645 1119666674 /nfs/dbraw/zinc/66/66/74/1119666674.db2.gz RZHCHRFPGIWVBP-JTQLQIEISA-N 0 1 287.388 3.698 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(C(F)F)nc2)ccn1 ZINC000658025950 1119668411 /nfs/dbraw/zinc/66/84/11/1119668411.db2.gz PRMBKFBJOGTKHO-LLVKDONJSA-N 0 1 277.318 3.573 20 0 CHADMN C[C@H](N[C@H]1COCc2ccccc21)c1cc2cnccc2o1 ZINC000658038220 1119670181 /nfs/dbraw/zinc/67/01/81/1119670181.db2.gz NQSYCEVTJYAKBS-LRDDRELGSA-N 0 1 294.354 3.750 20 0 CHADMN CC[C@@H](C)c1cccc(NC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000628432583 1128861872 /nfs/dbraw/zinc/86/18/72/1128861872.db2.gz JPWKHHMKKCKQLR-DOMZBBRYSA-N 0 1 297.402 3.982 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cccnc2N2CCCC2)c1 ZINC000658100887 1119685610 /nfs/dbraw/zinc/68/56/10/1119685610.db2.gz LUNQSUUCVSYENJ-MRXNPFEDSA-N 0 1 295.430 3.841 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3cc(C)cc(C)c3)C2)[nH]c1C ZINC000628237155 1119686262 /nfs/dbraw/zinc/68/62/62/1119686262.db2.gz CWXUUSPQCQZRRR-MRXNPFEDSA-N 0 1 283.419 3.633 20 0 CHADMN Cc1cc(CN2CCOC[C@@H]2CC(C)C)c2ccccc2n1 ZINC000605575281 1119688435 /nfs/dbraw/zinc/68/84/35/1119688435.db2.gz ZFSWQBUVRWCWBX-KRWDZBQOSA-N 0 1 298.430 3.790 20 0 CHADMN C[C@@H](N[C@H](C)C1(CO)CC1)c1cc(Cl)sc1Cl ZINC000658159843 1119693210 /nfs/dbraw/zinc/69/32/10/1119693210.db2.gz LDTQWUFCHJRLFH-HTQZYQBOSA-N 0 1 294.247 3.867 20 0 CHADMN CN(Cc1cccnc1OCc1ccccc1)CC1CC1 ZINC001238773392 1131243371 /nfs/dbraw/zinc/24/33/71/1131243371.db2.gz XUAZGWOKBFNIES-UHFFFAOYSA-N 0 1 282.387 3.502 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)N[C@H](C)C1(Cl)CC1 ZINC000695646746 1119695966 /nfs/dbraw/zinc/69/59/66/1119695966.db2.gz GWGDWPKLOMJQJK-NXEZZACHSA-N 0 1 271.763 3.645 20 0 CHADMN c1c[nH]c([C@H](NCCCC2CCC2)c2ccccc2)n1 ZINC000658224981 1119706003 /nfs/dbraw/zinc/70/60/03/1119706003.db2.gz WAAAHISLWVUZEA-MRXNPFEDSA-N 0 1 269.392 3.669 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@@H]2CCC[C@@H](C)O2)cs1 ZINC000658216736 1119708790 /nfs/dbraw/zinc/70/87/90/1119708790.db2.gz AWBMPUIRJHCBHW-AGIUHOORSA-N 0 1 282.453 3.875 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@H]2CCc3ccc(O)cc32)s1 ZINC000658239615 1119710361 /nfs/dbraw/zinc/71/03/61/1119710361.db2.gz NNELNMRVKRXTMJ-BONVTDFDSA-N 0 1 288.416 3.804 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H]1C[C@@H](C)n3ccnc31)[C@H](C)C2 ZINC000658244929 1119711081 /nfs/dbraw/zinc/71/10/81/1119711081.db2.gz NYDHZUCUBOSVBX-KFZJALRRSA-N 0 1 281.403 3.720 20 0 CHADMN CC(C)[C@@H](O)[C@H](N[C@@H](C)c1ccoc1)c1ccccc1 ZINC000658288687 1119718964 /nfs/dbraw/zinc/71/89/64/1119718964.db2.gz QTQJQHCEVDBBSU-IAOVAPTHSA-N 0 1 273.376 3.688 20 0 CHADMN C[C@H](N[C@@]1(C)CC1(C)C)c1ncc(Br)s1 ZINC000658309697 1119721586 /nfs/dbraw/zinc/72/15/86/1119721586.db2.gz YAMJDIBYARMMTD-CPCISQLKSA-N 0 1 289.242 3.745 20 0 CHADMN CCc1ccc([C@H](CC)N[C@@H](C)c2nccn2C)cc1 ZINC000658335147 1119725564 /nfs/dbraw/zinc/72/55/64/1119725564.db2.gz KMUQVUONEIBALN-BBRMVZONSA-N 0 1 271.408 3.784 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H](C)c2ccsc21)c1nccn1C ZINC000658339048 1119727326 /nfs/dbraw/zinc/72/73/26/1119727326.db2.gz NRRGXVNACVIHNP-NTZNESFSSA-N 0 1 275.421 3.771 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H]1CCCc2c(C)cccc21 ZINC000658337866 1119727510 /nfs/dbraw/zinc/72/75/10/1119727510.db2.gz AMDJWFDKVAMIFT-YOEHRIQHSA-N 0 1 283.419 3.940 20 0 CHADMN COC1([C@H](C)NCC(F)(F)C(C)(C)C)CCCC1 ZINC000658339117 1119727534 /nfs/dbraw/zinc/72/75/34/1119727534.db2.gz ORGCUNKDABMUKR-NSHDSACASA-N 0 1 263.372 3.605 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000658341457 1119727957 /nfs/dbraw/zinc/72/79/57/1119727957.db2.gz XXPHREPAVLNIQC-XOKHGSTOSA-N 0 1 281.403 3.865 20 0 CHADMN Cc1cccc2c1CCC[C@H]2N[C@H](C)c1nccnc1C ZINC000658340321 1119728169 /nfs/dbraw/zinc/72/81/69/1119728169.db2.gz XOJGZMRGTWBAHG-RHSMWYFYSA-N 0 1 281.403 3.822 20 0 CHADMN C[C@H](O)[C@H](N[C@@H](C)c1cc(F)cc(F)c1)c1ccccc1 ZINC000658364080 1119732421 /nfs/dbraw/zinc/73/24/21/1119732421.db2.gz ZICMDLLQOXMTPB-PRXAMGSTSA-N 0 1 291.341 3.738 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](c2ccccc2)[C@@H](C)O)o1 ZINC000658363495 1119732461 /nfs/dbraw/zinc/73/24/61/1119732461.db2.gz WARAQYNEVHHEMH-OGHNNQOOSA-N 0 1 273.376 3.615 20 0 CHADMN COc1cccc(CN[C@H]2CCCc3cccnc32)c1C ZINC000658347032 1119732510 /nfs/dbraw/zinc/73/25/10/1119732510.db2.gz WIZJBIIFURVNAU-INIZCTEOSA-N 0 1 282.387 3.566 20 0 CHADMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C[C@H]1CC1(Cl)Cl ZINC000780384026 1119733978 /nfs/dbraw/zinc/73/39/78/1119733978.db2.gz FFVZRHORXIBRET-IWSPIJDZSA-N 0 1 290.156 3.843 20 0 CHADMN Cc1ccc(-c2nc(CN(C)CC(C)C)co2)cc1 ZINC000065961516 1119748147 /nfs/dbraw/zinc/74/81/47/1119748147.db2.gz SZPDUIAYBOFLMK-UHFFFAOYSA-N 0 1 258.365 3.738 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccnn2CC2CCC2)cc1 ZINC000924531795 1119748704 /nfs/dbraw/zinc/74/87/04/1119748704.db2.gz OHWUJVBGSLYSEQ-AWEZNQCLSA-N 0 1 299.418 3.543 20 0 CHADMN CSc1ccc([C@@H](C)NCc2ccns2)cc1 ZINC000404402998 1119752505 /nfs/dbraw/zinc/75/25/05/1119752505.db2.gz ASNSYLMIRGEMBO-SNVBAGLBSA-N 0 1 264.419 3.716 20 0 CHADMN CC[C@@H](NCc1cc(C)ns1)c1ccc(OC)cc1 ZINC000404480228 1119756023 /nfs/dbraw/zinc/75/60/23/1119756023.db2.gz VYTJLHBNRTWLQH-OAHLLOKOSA-N 0 1 276.405 3.701 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@H]1CCCc2n[nH]cc21 ZINC000375806345 1119757269 /nfs/dbraw/zinc/75/72/69/1119757269.db2.gz PFDQNZBDNNZBPX-RISCZKNCSA-N 0 1 287.432 3.860 20 0 CHADMN Cc1cc(CN2C[C@@H](F)C[C@H]2C)cc(OC(F)(F)F)c1 ZINC001143462390 1119763653 /nfs/dbraw/zinc/76/36/53/1119763653.db2.gz JPMBSORRSIRDRG-PWSUYJOCSA-N 0 1 291.288 3.826 20 0 CHADMN Cc1cc(CN2CC(C)(C)C2)cc(OC(F)(F)F)c1 ZINC001143462405 1119763806 /nfs/dbraw/zinc/76/38/06/1119763806.db2.gz KIDBDOTXNYKNGI-UHFFFAOYSA-N 0 1 273.298 3.735 20 0 CHADMN CC[C@H]1C[N@@H+](C[C@@H](OC)c2ccc(Cl)cc2)CCS1 ZINC000548918799 1119776390 /nfs/dbraw/zinc/77/63/90/1119776390.db2.gz AAFYPWRZNITYIP-LSDHHAIUSA-N 0 1 299.867 3.855 20 0 CHADMN O=C1[C@@H]2CCCCCC2=NN1c1ncc(Cl)cc1Cl ZINC000612373238 1119779593 /nfs/dbraw/zinc/77/95/93/1119779593.db2.gz YWUKDCKVQVINMH-SECBINFHSA-N 0 1 298.173 3.671 20 0 CHADMN Cc1nc(CN2C[C@@H](C)CC[C@@H]2c2ccccc2)[nH]c1C ZINC000628272892 1119782015 /nfs/dbraw/zinc/78/20/15/1119782015.db2.gz BJTPPPPVZYAORP-SUMWQHHRSA-N 0 1 283.419 4.000 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccc1)c1cn2c(n1)CCCC2 ZINC000924542172 1119782185 /nfs/dbraw/zinc/78/21/85/1119782185.db2.gz JSUGJKXJMLTMLY-KBPBESRZSA-N 0 1 269.392 3.631 20 0 CHADMN C#CCN(CC(=O)Nc1ccc(C)cc1C)C1CCCCC1 ZINC000065960684 1119796773 /nfs/dbraw/zinc/79/67/73/1119796773.db2.gz NFYDTVFTSDMLEL-UHFFFAOYSA-N 0 1 298.430 3.510 20 0 CHADMN C[C@H](N[C@@H](C)c1cnnn1-c1ccccc1)c1cccs1 ZINC000924549224 1119798995 /nfs/dbraw/zinc/79/89/95/1119798995.db2.gz SKIKVNHUROFGOV-STQMWFEESA-N 0 1 298.415 3.741 20 0 CHADMN CC(C)OC(=O)[C@@H]1CCCN1CC[C@@H](C)c1ccccc1 ZINC000570126773 1119800389 /nfs/dbraw/zinc/80/03/89/1119800389.db2.gz LCPNVKQBDIAJPE-WBVHZDCISA-N 0 1 289.419 3.596 20 0 CHADMN c1cc2cc(CN3CCOC[C@H]3CC3CCC3)ccc2[nH]1 ZINC000628297057 1119801151 /nfs/dbraw/zinc/80/11/51/1119801151.db2.gz IIQGTSPCCXSEBI-QGZVFWFLSA-N 0 1 284.403 3.559 20 0 CHADMN C[C@@]1(CN2Cc3ccc(Cl)cc3C2)CCCS1 ZINC000628309130 1119811455 /nfs/dbraw/zinc/81/14/55/1119811455.db2.gz BDOCUFPNOLUMHL-AWEZNQCLSA-N 0 1 267.825 3.941 20 0 CHADMN C[C@]1(CN2Cc3ccc(Cl)cc3C2)CCCS1 ZINC000628309131 1119812074 /nfs/dbraw/zinc/81/20/74/1119812074.db2.gz BDOCUFPNOLUMHL-CQSZACIVSA-N 0 1 267.825 3.941 20 0 CHADMN CC[C@@H](C(=O)NOC1CCCCC1)c1ccccc1 ZINC000779322351 1128871296 /nfs/dbraw/zinc/87/12/96/1128871296.db2.gz VIXVGZRYEVJVCW-OAHLLOKOSA-N 0 1 261.365 3.561 20 0 CHADMN O=C(NOC1CCCCC1)[C@H](c1ccccc1)C1CC1 ZINC000779322772 1128871402 /nfs/dbraw/zinc/87/14/02/1128871402.db2.gz CNCMRELLMMRCQI-MRXNPFEDSA-N 0 1 273.376 3.561 20 0 CHADMN CC(C)[C@@H](C(=O)NOC1CCCCC1)c1ccc(F)cc1 ZINC000779325805 1128871680 /nfs/dbraw/zinc/87/16/80/1128871680.db2.gz SORXNAXRKLPAQN-MRXNPFEDSA-N 0 1 293.382 3.946 20 0 CHADMN CCOc1ccc(CN2CCc3ccccc3C2)cc1OC ZINC000431709058 1119842951 /nfs/dbraw/zinc/84/29/51/1119842951.db2.gz FRRJWOBKCBALNG-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN CCOc1cccc(CN2CCc3ccccc3C2)c1 ZINC000431708482 1119843530 /nfs/dbraw/zinc/84/35/30/1119843530.db2.gz CSYXWRCRSSJALN-UHFFFAOYSA-N 0 1 267.372 3.644 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@@H]1COc3ccc(C)cc31)CC2 ZINC000376153074 1119847623 /nfs/dbraw/zinc/84/76/23/1119847623.db2.gz UWHGSJPZRJAYDA-ZWKOTPCHSA-N 0 1 295.382 3.714 20 0 CHADMN Clc1cc(Cl)cc(-c2noc([C@H]3CCCCN3)n2)c1 ZINC000236050645 1119849076 /nfs/dbraw/zinc/84/90/76/1119849076.db2.gz OTHVDNMEZUSTOA-LLVKDONJSA-N 0 1 298.173 3.858 20 0 CHADMN C[C@@H](N[C@@H]1CCOc2ccccc21)c1cc(O)cc(F)c1 ZINC000924563315 1119850088 /nfs/dbraw/zinc/85/00/88/1119850088.db2.gz JUCDRDLOZUQBOT-BDJLRTHQSA-N 0 1 287.334 3.706 20 0 CHADMN C[C@H](N[C@@H]1CCOc2ccccc21)c1cc(O)cc(F)c1 ZINC000924563322 1119850202 /nfs/dbraw/zinc/85/02/02/1119850202.db2.gz JUCDRDLOZUQBOT-MEDUHNTESA-N 0 1 287.334 3.706 20 0 CHADMN Cc1nc([C@@H]2CCCCN2C[C@@H]2CC(C)=C[C@H](C)C2)no1 ZINC000685834869 1119854310 /nfs/dbraw/zinc/85/43/10/1119854310.db2.gz SQJBDAFCUGJJNU-RCBQFDQVSA-N 0 1 289.423 3.897 20 0 CHADMN Cc1cn[nH]c1C[N@@H+]1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000685837882 1119856736 /nfs/dbraw/zinc/85/67/36/1119856736.db2.gz VDFDANZNGYUFNL-RDTXWAMCSA-N 0 1 283.419 4.000 20 0 CHADMN Cc1c[nH]nc1CN1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000685837882 1119856739 /nfs/dbraw/zinc/85/67/39/1119856739.db2.gz VDFDANZNGYUFNL-RDTXWAMCSA-N 0 1 283.419 4.000 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(COc2ccccc2)cc1 ZINC000685843076 1119862450 /nfs/dbraw/zinc/86/24/50/1119862450.db2.gz GRXJUBYXRDNHEH-UHFFFAOYSA-N 0 1 293.370 3.909 20 0 CHADMN FC(F)(F)c1cscc1CN1CCC12CCOCC2 ZINC000685844915 1119864739 /nfs/dbraw/zinc/86/47/39/1119864739.db2.gz IQVHMCBGEXXHIY-UHFFFAOYSA-N 0 1 291.338 3.522 20 0 CHADMN CS[C@@H]1CC[C@@H]1NCc1c(Cl)cccc1Cl ZINC000381576044 1119882668 /nfs/dbraw/zinc/88/26/68/1119882668.db2.gz ZZUABCPFXFOHNM-NWDGAFQWSA-N 0 1 276.232 3.977 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000613196185 1119883518 /nfs/dbraw/zinc/88/35/18/1119883518.db2.gz CFOXFVBOSUJAAQ-URLYPYJESA-N 0 1 297.349 3.811 20 0 CHADMN CC(C)(C)CCCCC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000376224582 1119887319 /nfs/dbraw/zinc/88/73/19/1119887319.db2.gz BMNPZCWTCBXYQK-UHFFFAOYSA-N 0 1 291.439 3.722 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1cccc(O)c1)CCO2 ZINC000282165728 1119893282 /nfs/dbraw/zinc/89/32/82/1119893282.db2.gz DPGSTSUZRZUQKA-SJCJKPOMSA-N 0 1 299.370 3.575 20 0 CHADMN Cc1ccc(CONC(=O)C(C)(C)c2ccccc2)cc1 ZINC000066468915 1119895514 /nfs/dbraw/zinc/89/55/14/1119895514.db2.gz NLZORVRICDHVCV-UHFFFAOYSA-N 0 1 283.371 3.521 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc2c(c1)CCCC2)c1cn(C)cn1 ZINC000924571966 1119901959 /nfs/dbraw/zinc/90/19/59/1119901959.db2.gz JRYUKEUGCHJVTM-ZIAGYGMSSA-N 0 1 283.419 3.711 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000261916823 1119902550 /nfs/dbraw/zinc/90/25/50/1119902550.db2.gz HCNNNWLXMSPCOK-OAHLLOKOSA-N 0 1 297.398 3.917 20 0 CHADMN C[C@@H](N[C@@H](C)C[C@H](C)O)c1csc(-c2ccccc2)n1 ZINC000414114885 1119903191 /nfs/dbraw/zinc/90/31/91/1119903191.db2.gz UJCSHKBJMXELGT-RWMBFGLXSA-N 0 1 290.432 3.620 20 0 CHADMN COc1ccccc1[C@H](N[C@H](C)[C@@H]1C[C@H]1C)c1ccccn1 ZINC000414113824 1119904400 /nfs/dbraw/zinc/90/44/00/1119904400.db2.gz YZPOEDJAIGVBFP-UMHPPVOVSA-N 0 1 296.414 3.814 20 0 CHADMN CO[C@H](C)[C@H](C)N[C@H](C)c1csc(-c2ccccc2)n1 ZINC000414127981 1119910028 /nfs/dbraw/zinc/91/00/28/1119910028.db2.gz GGRWSVFAFUTUOO-YNEHKIRRSA-N 0 1 290.432 3.884 20 0 CHADMN CC(C)O[C@H]1C[C@@H](N[C@@H](C)c2csc(C(C)C)n2)C1 ZINC000414151313 1119917036 /nfs/dbraw/zinc/91/70/36/1119917036.db2.gz WFMFQKFPXALDLA-RWMBFGLXSA-N 0 1 282.453 3.873 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000318628723 1119918343 /nfs/dbraw/zinc/91/83/43/1119918343.db2.gz BQRTYHSZVJXKOD-LJQANCHMSA-N 0 1 297.398 3.773 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@@H]2[C@@H](c3ccccc3)C2(C)C)nn1 ZINC000926745941 1119920700 /nfs/dbraw/zinc/92/07/00/1119920700.db2.gz SMKRNLVKGKANMX-IAOVAPTHSA-N 0 1 298.434 3.702 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](c2nccn2C)C2CC2)c(C)c1 ZINC000414173255 1119926568 /nfs/dbraw/zinc/92/65/68/1119926568.db2.gz ZJUJHTOOOTYDKI-CXAGYDPISA-N 0 1 299.418 3.539 20 0 CHADMN Cc1ccc(CN(CCOc2ccccc2F)C2CC2)o1 ZINC000613443717 1119927697 /nfs/dbraw/zinc/92/76/97/1119927697.db2.gz VUQMWOWIXKANEH-UHFFFAOYSA-N 0 1 289.350 3.771 20 0 CHADMN CC[C@H]1CCC[C@@H](C[NH2+]C(C)(C)c2nc(C)cc(=O)[n-]2)C1 ZINC000628375069 1119929304 /nfs/dbraw/zinc/92/93/04/1119929304.db2.gz XRYMURKQGBOVPQ-UONOGXRCSA-N 0 1 291.439 3.532 20 0 CHADMN Cc1cncc([C@H](C)NCc2cnccc2C(C)(C)C)c1 ZINC000414221167 1119944287 /nfs/dbraw/zinc/94/42/87/1119944287.db2.gz CYGHILOZORORIM-AWEZNQCLSA-N 0 1 283.419 3.933 20 0 CHADMN CC[C@@H](N[C@@H](CC)c1ccccc1)c1ccn(C)n1 ZINC000414223886 1119945186 /nfs/dbraw/zinc/94/51/86/1119945186.db2.gz PVEHIXVLWOPLRV-LSDHHAIUSA-N 0 1 257.381 3.612 20 0 CHADMN C[C@H](CCC(C)(C)C)NCc1nccc(C(F)(F)F)n1 ZINC000414236755 1119951752 /nfs/dbraw/zinc/95/17/52/1119951752.db2.gz IKLUNVBPGPYJRU-SNVBAGLBSA-N 0 1 289.345 3.800 20 0 CHADMN COc1ccccc1[C@H](NCCC(C)C)c1ccccn1 ZINC000190792943 1128879863 /nfs/dbraw/zinc/87/98/63/1128879863.db2.gz AIPQOYSRIDHILZ-SFHVURJKSA-N 0 1 284.403 3.815 20 0 CHADMN CCn1ccnc1NCc1cscc1C(F)(F)F ZINC000414291575 1119967388 /nfs/dbraw/zinc/96/73/88/1119967388.db2.gz AAKSLYLCMVJCQX-UHFFFAOYSA-N 0 1 275.299 3.595 20 0 CHADMN CC(C)[C@H]1CC[C@@H](N[C@@H](C)c2csnn2)C[C@H]1C ZINC000414297324 1119971033 /nfs/dbraw/zinc/97/10/33/1119971033.db2.gz HFMLCWAHDFGEQI-YVECIDJPSA-N 0 1 267.442 3.650 20 0 CHADMN CC[C@H](N[C@H](C)c1csnn1)C1CCCCC1 ZINC000414301348 1119972285 /nfs/dbraw/zinc/97/22/85/1119972285.db2.gz LSSKUVFGAQZZJC-PWSUYJOCSA-N 0 1 253.415 3.548 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1Cc1nnc(Cc2ccccc2C)o1 ZINC000472580583 1119974059 /nfs/dbraw/zinc/97/40/59/1119974059.db2.gz RLJDAGRNXIVYIH-CZUORRHYSA-N 0 1 299.418 3.589 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1Cc1nnc(Cc2ccccc2C)o1 ZINC000472580584 1119974355 /nfs/dbraw/zinc/97/43/55/1119974355.db2.gz RLJDAGRNXIVYIH-XJKSGUPXSA-N 0 1 299.418 3.589 20 0 CHADMN COc1ncc([C@@H](C)N[C@@H]2CCCC[C@H]2F)cc1Cl ZINC000414312726 1119977441 /nfs/dbraw/zinc/97/74/41/1119977441.db2.gz OBPCUKKSLMICGL-OASPWFOLSA-N 0 1 286.778 3.675 20 0 CHADMN COc1ccc(C[N@H+]2C[C@@H](C)CC2(C)C)c(Cl)c1OC ZINC000539826375 1119986893 /nfs/dbraw/zinc/98/68/93/1119986893.db2.gz PRJKBPPTZLROPB-NSHDSACASA-N 0 1 297.826 3.978 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cccc(C)c2C)nc1 ZINC000134330928 1119993704 /nfs/dbraw/zinc/99/37/04/1119993704.db2.gz PYKSHOWBIYRZPN-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)C[C@@H](C)C(C)(C)C)[nH]1 ZINC000636429525 1119997279 /nfs/dbraw/zinc/99/72/79/1119997279.db2.gz JHYBEAZVGHFBRY-LLVKDONJSA-N 0 1 287.407 3.626 20 0 CHADMN CCc1ncc(CN(Cc2cccc(F)c2)C(C)C)cn1 ZINC000414373439 1120004490 /nfs/dbraw/zinc/00/44/90/1120004490.db2.gz SCXBCZCZCGRTAU-UHFFFAOYSA-N 0 1 287.382 3.589 20 0 CHADMN Cc1cccc(-c2nnc([C@H](C)N3CCCCC3)o2)c1 ZINC000376476163 1120005906 /nfs/dbraw/zinc/00/59/06/1120005906.db2.gz GANRFWXDGFBMBL-ZDUSSCGKSA-N 0 1 271.364 3.592 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2c2ccc(C)c(C)c2)nn1 ZINC000414379318 1120009356 /nfs/dbraw/zinc/00/93/56/1120009356.db2.gz INOGLNJYAFJILH-SFHVURJKSA-N 0 1 281.403 3.739 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1cn(C(C)C)nn1)c1ccccc1 ZINC000924581687 1120010094 /nfs/dbraw/zinc/01/00/94/1120010094.db2.gz UDGCXLPVJRQAGH-PBHICJAKSA-N 0 1 286.423 3.907 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000376488655 1120010880 /nfs/dbraw/zinc/01/08/80/1120010880.db2.gz RWIHOXVOFNXASJ-SJORKVTESA-N 0 1 286.350 3.522 20 0 CHADMN CC[C@H](C)N(C)CC(=O)Nc1cccc2ccccc21 ZINC000068449610 1120013740 /nfs/dbraw/zinc/01/37/40/1120013740.db2.gz LAZXJVOEZXEKHN-ZDUSSCGKSA-N 0 1 270.376 3.509 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc3cc(Cl)ccc3o2)[nH]n1 ZINC000605592291 1120034547 /nfs/dbraw/zinc/03/45/47/1120034547.db2.gz KSBNRCSFJJEXOI-SNVBAGLBSA-N 0 1 289.766 3.969 20 0 CHADMN COc1ccc(CNCc2csc(C)c2C)c(F)c1 ZINC000399943777 1120035073 /nfs/dbraw/zinc/03/50/73/1120035073.db2.gz VOGCCAIMDUJLPH-UHFFFAOYSA-N 0 1 279.380 3.802 20 0 CHADMN O=C1[C@H]2CCCCC2=NN1c1cccc(C(F)(F)F)c1 ZINC000104931038 1120037060 /nfs/dbraw/zinc/03/70/60/1120037060.db2.gz GXUAMEUMFNGYIL-NSHDSACASA-N 0 1 282.265 3.598 20 0 CHADMN O=c1c2c([nH]n1-c1cccc(C(F)(F)F)c1)CCCC2 ZINC000104931038 1120037065 /nfs/dbraw/zinc/03/70/65/1120037065.db2.gz GXUAMEUMFNGYIL-NSHDSACASA-N 0 1 282.265 3.598 20 0 CHADMN CCSc1cc(CN[C@H](C)c2ccoc2)ccn1 ZINC000187797113 1120038191 /nfs/dbraw/zinc/03/81/91/1120038191.db2.gz BTCOQSMAHMEUBW-LLVKDONJSA-N 0 1 262.378 3.637 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccccc3Cl)c2c1 ZINC000094660699 1120053690 /nfs/dbraw/zinc/05/36/90/1120053690.db2.gz PGMPFPOEKBOYHG-UHFFFAOYSA-N 0 1 257.724 3.570 20 0 CHADMN COCC1(CN(Cc2ccc(F)cc2F)C2CC2)CCC1 ZINC000361286799 1120054416 /nfs/dbraw/zinc/05/44/16/1120054416.db2.gz HJDIYOFGJIYAGM-UHFFFAOYSA-N 0 1 295.373 3.746 20 0 CHADMN COCC1(CN(C)[C@@H](C)c2c(F)cccc2F)CCC1 ZINC000361299496 1120054970 /nfs/dbraw/zinc/05/49/70/1120054970.db2.gz MWJMCROOXYCNAH-LBPRGKRZSA-N 0 1 283.362 3.774 20 0 CHADMN CCS[C@H]1CCCC[C@H]1NCc1noc2c1CCCC2 ZINC000189493770 1120057432 /nfs/dbraw/zinc/05/74/32/1120057432.db2.gz ITJPBRATTJZJEZ-CJNGLKHVSA-N 0 1 294.464 3.707 20 0 CHADMN CC=C(C)C(=O)Nc1ccc(-c2nc(C)c(C)[nH]2)cc1 ZINC000921660106 1120058910 /nfs/dbraw/zinc/05/89/10/1120058910.db2.gz JTOIDHROSIZMIY-YHYXMXQVSA-N 0 1 269.348 3.598 20 0 CHADMN CC[C@@H](CCO)NCc1c(Cl)ccc(Cl)c1Cl ZINC000134984082 1120062394 /nfs/dbraw/zinc/06/23/94/1120062394.db2.gz JYUUYPNRLAMURQ-QMMMGPOBSA-N 0 1 296.625 3.897 20 0 CHADMN CSCCSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000189605745 1120063971 /nfs/dbraw/zinc/06/39/71/1120063971.db2.gz KZVVYZGQAZKGRM-UHFFFAOYSA-N 0 1 278.446 3.764 20 0 CHADMN CC(=O)c1cc(CN2CC[C@H](C)C3(CCCCC3)C2)on1 ZINC000580208384 1120065911 /nfs/dbraw/zinc/06/59/11/1120065911.db2.gz BDQDIGGLMJLACW-ZDUSSCGKSA-N 0 1 290.407 3.670 20 0 CHADMN CC[C@](C)(NC[C@H]1CC1(Cl)Cl)c1nccs1 ZINC000309468889 1120067589 /nfs/dbraw/zinc/06/75/89/1120067589.db2.gz QCGZCWPEHOBRRZ-SCZZXKLOSA-N 0 1 279.236 3.552 20 0 CHADMN C[C@H](N[C@@H](C)c1ccnn1C)c1coc2ccccc12 ZINC000926813887 1120069646 /nfs/dbraw/zinc/06/96/46/1120069646.db2.gz VNKQVUSLBGGHDA-RYUDHWBXSA-N 0 1 269.348 3.578 20 0 CHADMN Cc1cc(F)ncc1CN[C@H]1CSCc2ccccc21 ZINC000892684999 1120074677 /nfs/dbraw/zinc/07/46/77/1120074677.db2.gz WCVDVSACZPPNLQ-HNNXBMFYSA-N 0 1 288.391 3.607 20 0 CHADMN Fc1cccc(C2CCN(Cc3ncccc3F)CC2)c1 ZINC001207433677 1120079623 /nfs/dbraw/zinc/07/96/23/1120079623.db2.gz NQMGVMCHIWSGJZ-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1cnccc1CN1CC(C)(C)[C@H]1c1ccccc1 ZINC000648363158 1120085562 /nfs/dbraw/zinc/08/55/62/1120085562.db2.gz ACXMVPIVJYDHLW-QGZVFWFLSA-N 0 1 266.388 3.973 20 0 CHADMN Cc1cc(CNCc2ccc(OC(F)F)c(F)c2)c(C)o1 ZINC000168328535 1120091378 /nfs/dbraw/zinc/09/13/78/1120091378.db2.gz QAZJAHQGZVFPPG-UHFFFAOYSA-N 0 1 299.292 3.927 20 0 CHADMN CCc1c(C)[nH]n(-c2ccc(Cl)c(Cl)c2)c1=O ZINC000103316145 1120095993 /nfs/dbraw/zinc/09/59/93/1120095993.db2.gz BGKAAYDZUPOKMM-SECBINFHSA-N 0 1 271.147 3.742 20 0 CHADMN C[C@@H](NCc1cc(Cl)nc(Cl)c1)c1cccnc1 ZINC000782977866 1120103500 /nfs/dbraw/zinc/10/35/00/1120103500.db2.gz AKNFUZAXIVHDEU-SECBINFHSA-N 0 1 282.174 3.634 20 0 CHADMN C[C@H](NCc1cc(F)cc2cccnc21)c1cccc(O)c1 ZINC000181577418 1120105261 /nfs/dbraw/zinc/10/52/61/1120105261.db2.gz WOZRKHCPUJJAMZ-LBPRGKRZSA-N 0 1 296.345 3.930 20 0 CHADMN c1sc(C2CC2)nc1CNC[C@@H]1CCC2(CCCC2)O1 ZINC000655864225 1120107910 /nfs/dbraw/zinc/10/79/10/1120107910.db2.gz VPTGFFARGLXAJA-AWEZNQCLSA-N 0 1 292.448 3.602 20 0 CHADMN CCSCCN[C@H](C)c1c(F)cccc1Cl ZINC000181762292 1120108107 /nfs/dbraw/zinc/10/81/07/1120108107.db2.gz DPCZKPKOJHYIMV-SECBINFHSA-N 0 1 261.793 3.883 20 0 CHADMN CC[C@@H](C)O[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001204629361 1120108875 /nfs/dbraw/zinc/10/88/75/1120108875.db2.gz KETLSIDHURCPEQ-HIFRSBDPSA-N 0 1 265.372 3.605 20 0 CHADMN CCc1ccc(CN(C)[C@@H](C)c2ccc(OC)cc2)cn1 ZINC000347657623 1120110508 /nfs/dbraw/zinc/11/05/08/1120110508.db2.gz VQWSDLBKGUFMKX-AWEZNQCLSA-N 0 1 284.403 3.846 20 0 CHADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1ccc(C2CCCCC2)cc1 ZINC000098145133 1120110869 /nfs/dbraw/zinc/11/08/69/1120110869.db2.gz JDMWKTDXBGJWEV-QGZVFWFLSA-N 0 1 287.403 3.783 20 0 CHADMN CCCCC[C@H]1CCCC[N@H+]1CCCCC(=O)[O-] ZINC000659803793 1120113704 /nfs/dbraw/zinc/11/37/04/1120113704.db2.gz NSXUDPFHLKVCNC-AWEZNQCLSA-N 0 1 255.402 3.676 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000659804469 1120114152 /nfs/dbraw/zinc/11/41/52/1120114152.db2.gz XMRQQDZALPSTLO-INIZCTEOSA-N 0 1 281.440 3.924 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+](CCC1CC1)CC1CC1 ZINC000659804553 1120114319 /nfs/dbraw/zinc/11/43/19/1120114319.db2.gz ZLFMGLFPWYPCSP-LLVKDONJSA-N 0 1 277.364 3.551 20 0 CHADMN C[C@H](N[C@@H]1CC1(C)C)c1nc(C(F)(F)F)cs1 ZINC000343839381 1120120165 /nfs/dbraw/zinc/12/01/65/1120120165.db2.gz MWBJOVJCQLIAKT-NKWVEPMBSA-N 0 1 264.316 3.611 20 0 CHADMN C[C@H](NCCCOc1ccc2ccccc2c1)c1ncc[nH]1 ZINC000353392969 1120128642 /nfs/dbraw/zinc/12/86/42/1120128642.db2.gz IHVCEXCMCKJKAR-AWEZNQCLSA-N 0 1 295.386 3.683 20 0 CHADMN COc1ccc(CN(C)C[C@@H]2CC2(Cl)Cl)cc1C ZINC000728686379 1120136621 /nfs/dbraw/zinc/13/66/21/1120136621.db2.gz QKSZKZMNTMPTHF-LBPRGKRZSA-N 0 1 288.218 3.629 20 0 CHADMN CC[C@H]1CCC[N@H+]1Cc1ccc(OC)cc1OC(F)F ZINC000511519884 1120143531 /nfs/dbraw/zinc/14/35/31/1120143531.db2.gz CCLRXNCJDDIVEP-LBPRGKRZSA-N 0 1 285.334 3.671 20 0 CHADMN CC(C)CN(Cc1nnc2n1CCCCC2)CC(C)(C)C ZINC000362474804 1120144660 /nfs/dbraw/zinc/14/46/60/1120144660.db2.gz ULFBQWLZZMOAPH-UHFFFAOYSA-N 0 1 292.471 3.509 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)N(Cc2ccncc2F)C1 ZINC000449321625 1128893841 /nfs/dbraw/zinc/89/38/41/1128893841.db2.gz TULCUSFGWOHMAQ-SUMWQHHRSA-N 0 1 270.351 3.804 20 0 CHADMN C[C@H](c1ccccc1)N(C)CC(=O)N[C@@H](C)c1ccccc1 ZINC000301906676 1120147357 /nfs/dbraw/zinc/14/73/57/1120147357.db2.gz MVPWIFIKXMZGDH-JKSUJKDBSA-N 0 1 296.414 3.557 20 0 CHADMN CCC1(CC)CCN(Cc2ccc([S@@](C)=O)cc2)CC1 ZINC000362505050 1120148055 /nfs/dbraw/zinc/14/80/55/1120148055.db2.gz LCVKLJLOZZJHPP-HXUWFJFHSA-N 0 1 293.476 3.826 20 0 CHADMN Cc1cc(Cl)cc(CNCc2ccc(C)c(C)n2)c1 ZINC000313802107 1120150733 /nfs/dbraw/zinc/15/07/33/1120150733.db2.gz GKLQGFWNZYQRAV-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN COc1ccccc1C(C)(C)NCc1ccc(O)c(F)c1 ZINC000892875076 1120153899 /nfs/dbraw/zinc/15/38/99/1120153899.db2.gz CFGCUWIKHBNCIH-UHFFFAOYSA-N 0 1 289.350 3.565 20 0 CHADMN Cc1[nH]c(SCCc2cnoc2)nc1Cc1ccccc1 ZINC000629084646 1128894573 /nfs/dbraw/zinc/89/45/73/1128894573.db2.gz WWFNTFBTYQPOFK-UHFFFAOYSA-N 0 1 299.399 3.632 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3c3nccs3)[nH]c2c1 ZINC000892893094 1120156286 /nfs/dbraw/zinc/15/62/86/1120156286.db2.gz MFOPOIBXVGYPGQ-CYBMUJFWSA-N 0 1 284.388 3.669 20 0 CHADMN Clc1ccc(CN2CCCN(c3ccccc3)CC2)o1 ZINC000511522170 1120156354 /nfs/dbraw/zinc/15/63/54/1120156354.db2.gz BTJZZPVMMGWZEN-UHFFFAOYSA-N 0 1 290.794 3.645 20 0 CHADMN C[C@H](NC[C@@H]1CCCS1)c1nc(C(F)(F)F)cs1 ZINC000343842841 1120160394 /nfs/dbraw/zinc/16/03/94/1120160394.db2.gz RWTDSXNATVIXDP-YUMQZZPRSA-N 0 1 296.383 3.708 20 0 CHADMN CCC[C@@H](NCc1cnc(F)c(C)c1)c1ccccn1 ZINC000892910960 1120160642 /nfs/dbraw/zinc/16/06/42/1120160642.db2.gz GSRHDGPALWQETH-CQSZACIVSA-N 0 1 273.355 3.555 20 0 CHADMN Cc1oc(C(C)(C)C)cc1CNCc1cccc(CO)c1 ZINC000892920908 1120161950 /nfs/dbraw/zinc/16/19/50/1120161950.db2.gz RSDZTDPMKRAZDU-UHFFFAOYSA-N 0 1 287.403 3.668 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1cn2c(cccc2C)n1 ZINC000765900708 1120162022 /nfs/dbraw/zinc/16/20/22/1120162022.db2.gz RVZFNFRAVKKTOU-GOSISDBHSA-N 0 1 291.398 3.728 20 0 CHADMN COc1ccc(Br)c(CN2CCC(C)(C)C2)c1 ZINC000094808956 1120167656 /nfs/dbraw/zinc/16/76/56/1120167656.db2.gz NWUHKAABZQDMSP-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN COc1ccc(Br)c(C[N@H+]2CCC(C)(C)C2)c1 ZINC000094808956 1120167654 /nfs/dbraw/zinc/16/76/54/1120167654.db2.gz NWUHKAABZQDMSP-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN Cc1ccc(CNCc2cc(C)c(C)cc2C)nc1C ZINC000314069346 1120168138 /nfs/dbraw/zinc/16/81/38/1120168138.db2.gz UCNHCAJUDQPFDR-UHFFFAOYSA-N 0 1 268.404 3.914 20 0 CHADMN Cc1noc([C@@H]2CCCCN2[C@H](C)Cc2ccsc2)n1 ZINC000685448047 1120174045 /nfs/dbraw/zinc/17/40/45/1120174045.db2.gz HTQQXFYWLYEXGS-RISCZKNCSA-N 0 1 291.420 3.598 20 0 CHADMN Cn1ccc(CN[C@@H](CC(C)(C)C)c2ccccc2)n1 ZINC000112341051 1120175894 /nfs/dbraw/zinc/17/58/94/1120175894.db2.gz BDRKIRNCRXBFGF-INIZCTEOSA-N 0 1 271.408 3.687 20 0 CHADMN Cc1ccc(C)c(OCC[N@@H+]2CCS[C@H](C)[C@@H]2C)c1 ZINC000303720847 1120180814 /nfs/dbraw/zinc/18/08/14/1120180814.db2.gz RRRQVYZYEDUOCU-LSDHHAIUSA-N 0 1 279.449 3.508 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1cnc2ccccc2n1 ZINC000659847266 1120182068 /nfs/dbraw/zinc/18/20/68/1120182068.db2.gz ZVZGDAWWVKSYOH-GFCCVEGCSA-N 0 1 283.400 3.884 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCc3sccc32)nc1C ZINC000314323530 1120185253 /nfs/dbraw/zinc/18/52/53/1120185253.db2.gz SHSXUERIZADCOJ-OAHLLOKOSA-N 0 1 272.417 3.927 20 0 CHADMN CCCSC[C@@H](C)N[C@@H](C)c1csc(CC)n1 ZINC000892977133 1120186180 /nfs/dbraw/zinc/18/61/80/1120186180.db2.gz JTVRBYYCSHFYMC-MNOVXSKESA-N 0 1 272.483 3.888 20 0 CHADMN N#CC(=C(O)C=Cc1ccccc1)c1cnc2ccccc2n1 ZINC000191001307 1128896958 /nfs/dbraw/zinc/89/69/58/1128896958.db2.gz WAAGTQCVTVFLNL-NKSUMMKUSA-N 0 1 299.333 3.519 20 0 CHADMN N#CC(C(=O)C=Cc1ccccc1)c1cnc2ccccc2n1 ZINC000191001307 1128896961 /nfs/dbraw/zinc/89/69/61/1128896961.db2.gz WAAGTQCVTVFLNL-NKSUMMKUSA-N 0 1 299.333 3.519 20 0 CHADMN COc1cnccc1[C@H](C)NCc1cc(C)sc1C ZINC000189556039 1120191774 /nfs/dbraw/zinc/19/17/74/1120191774.db2.gz LUJWXLIZVAWWLB-NSHDSACASA-N 0 1 276.405 3.619 20 0 CHADMN Cc1cc(CN(Cc2cccs2)C(C)C)nc(C)n1 ZINC000659852585 1120191888 /nfs/dbraw/zinc/19/18/88/1120191888.db2.gz AQWCOEWVCRSTOZ-UHFFFAOYSA-N 0 1 275.421 3.566 20 0 CHADMN COc1cc(CN2CCC[C@@H]2c2ccc(C)c(C)c2)on1 ZINC000659857384 1120196954 /nfs/dbraw/zinc/19/69/54/1120196954.db2.gz JKJZVTYNEGGRJJ-MRXNPFEDSA-N 0 1 286.375 3.637 20 0 CHADMN CC[C@](C)(NCc1cccc(N(C)C)c1)c1nccs1 ZINC000072683321 1120199018 /nfs/dbraw/zinc/19/90/18/1120199018.db2.gz LZAKHZXIXRLQFX-INIZCTEOSA-N 0 1 289.448 3.624 20 0 CHADMN Cc1noc([C@H](C)N(C)CC(C)(C)c2ccc(C)cc2)n1 ZINC000072759471 1120201089 /nfs/dbraw/zinc/20/10/89/1120201089.db2.gz BPWGVDJXTQSYTH-ZDUSSCGKSA-N 0 1 287.407 3.657 20 0 CHADMN CCCC[C@@H](CC)CC[N@@H+](CC(=O)[O-])C1CCC1 ZINC000656100869 1120205108 /nfs/dbraw/zinc/20/51/08/1120205108.db2.gz DHHJRDIDVYKKRM-CYBMUJFWSA-N 0 1 255.402 3.532 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CCC([C@H](C)O)CC1 ZINC000304344496 1120205609 /nfs/dbraw/zinc/20/56/09/1120205609.db2.gz XPEGMCHEZNRIQX-MEDUHNTESA-N 0 1 283.362 3.509 20 0 CHADMN C[C@@H](NCc1c(F)cccc1Cl)[C@@H]1CCCCO1 ZINC000393652922 1120207971 /nfs/dbraw/zinc/20/79/71/1120207971.db2.gz RDWPNLKHGNXKOM-YGRLFVJLSA-N 0 1 271.763 3.526 20 0 CHADMN CS[C@@H]1CCC[C@@H](N[C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000921805992 1120221498 /nfs/dbraw/zinc/22/14/98/1120221498.db2.gz UGOBLGBZDSMUIO-QJPTWQEYSA-N 0 1 297.468 3.692 20 0 CHADMN CC(C)[C@@H]1OCCC[C@@H]1CNCc1nc(C(C)(C)C)co1 ZINC000921816603 1120226190 /nfs/dbraw/zinc/22/61/90/1120226190.db2.gz GOABZSJQPBDIFL-CJNGLKHVSA-N 0 1 294.439 3.513 20 0 CHADMN C[C@H]([NH2+]CCN1CCCC1)c1cc(Cl)sc1Cl ZINC000178309327 1120228262 /nfs/dbraw/zinc/22/82/62/1120228262.db2.gz VGSWFFMECUCFKA-VIFPVBQESA-N 0 1 293.263 3.801 20 0 CHADMN CCCC1(CNCc2csc(C(F)(F)F)n2)CC1 ZINC000893125207 1120230131 /nfs/dbraw/zinc/23/01/31/1120230131.db2.gz HKDDTIUDLRUAEF-UHFFFAOYSA-N 0 1 278.343 3.832 20 0 CHADMN COc1ccc(C)cc1CN(C)Cc1cccc(C)c1 ZINC000061798857 1120230237 /nfs/dbraw/zinc/23/02/37/1120230237.db2.gz JIGRHCNTBJMGLL-UHFFFAOYSA-N 0 1 269.388 3.944 20 0 CHADMN COc1ccc(-c2cc(-n3ccnc3)ccn2)cc1Cl ZINC001240030426 1120233126 /nfs/dbraw/zinc/23/31/26/1120233126.db2.gz PPXQGRHJARKKKR-UHFFFAOYSA-N 0 1 285.734 3.596 20 0 CHADMN CCCCCOC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000728725987 1120233303 /nfs/dbraw/zinc/23/33/03/1120233303.db2.gz QCPGCCPEKPYNNQ-UHFFFAOYSA-N 0 1 272.348 3.732 20 0 CHADMN Cc1ccc(SCCN[C@@H](C)c2cscn2)cc1 ZINC000271113262 1120234069 /nfs/dbraw/zinc/23/40/69/1120234069.db2.gz HSPPDCOEWBTFLA-LBPRGKRZSA-N 0 1 278.446 3.894 20 0 CHADMN C[C@@H]1C[C@H](NCCF)c2cccc(Br)c21 ZINC000309154887 1120241046 /nfs/dbraw/zinc/24/10/46/1120241046.db2.gz XEJWINIURIGTLN-KCJUWKMLSA-N 0 1 272.161 3.557 20 0 CHADMN C[C@H]1CCc2ccccc2[C@H]1NCc1cn2ccccc2n1 ZINC000179395129 1120246456 /nfs/dbraw/zinc/24/64/56/1120246456.db2.gz UEGCHFSOQWABBZ-LIRRHRJNSA-N 0 1 291.398 3.748 20 0 CHADMN C/C(=C\c1ccc(Cl)cc1)c1nc([C@H](N)C(C)C)no1 ZINC000843148965 1120247313 /nfs/dbraw/zinc/24/73/13/1120247313.db2.gz GVPBBKQECDHSMH-AORWBKJGSA-N 0 1 291.782 3.939 20 0 CHADMN CCC[C@H](NCc1ccncc1)c1ccc(F)cc1F ZINC000150934083 1120250877 /nfs/dbraw/zinc/25/08/77/1120250877.db2.gz MTBFQSXTBQUODC-INIZCTEOSA-N 0 1 276.330 3.991 20 0 CHADMN CC(C)(C)c1coc(CN[C@@H]2CCOC3(CCCC3)C2)n1 ZINC000921860651 1120256923 /nfs/dbraw/zinc/25/69/23/1120256923.db2.gz TTZJGGZJQIYNPF-CYBMUJFWSA-N 0 1 292.423 3.554 20 0 CHADMN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cn[nH]c1 ZINC000085825894 1120258773 /nfs/dbraw/zinc/25/87/73/1120258773.db2.gz URENBTJRDFXDGO-SECBINFHSA-N 0 1 284.190 3.910 20 0 CHADMN Cc1coc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)cc12 ZINC001128170114 1120263543 /nfs/dbraw/zinc/26/35/43/1120263543.db2.gz OXWSQXYDXIQSDP-HNNXBMFYSA-N 0 1 286.375 3.553 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCCCCC1 ZINC000008119213 1120276079 /nfs/dbraw/zinc/27/60/79/1120276079.db2.gz XAQDOUCUTQTTKQ-CYBMUJFWSA-N 0 1 294.826 3.851 20 0 CHADMN CC1(C)CCCN1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000106860702 1120279934 /nfs/dbraw/zinc/27/99/34/1120279934.db2.gz CDYQDXJKFSVWNY-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1nn(C)c2ccccc12 ZINC000112338029 1120282964 /nfs/dbraw/zinc/28/29/64/1120282964.db2.gz JQQDTZNWGFNEKQ-CQSZACIVSA-N 0 1 279.387 3.733 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccc(Cl)cc3)C2)c(C)o1 ZINC000659917545 1120284014 /nfs/dbraw/zinc/28/40/14/1120284014.db2.gz AWGZBWZPVUZEOH-AWEZNQCLSA-N 0 1 290.794 3.934 20 0 CHADMN CC[C@H](CSc1ccccc1)NCc1nnc(C)s1 ZINC000893182008 1120284861 /nfs/dbraw/zinc/28/48/61/1120284861.db2.gz OVYCLENVCCAGBP-GFCCVEGCSA-N 0 1 293.461 3.507 20 0 CHADMN C[C@@H]1CSC[C@H]1Nc1ccnc2cc(F)ccc21 ZINC000672327452 1120290303 /nfs/dbraw/zinc/29/03/03/1120290303.db2.gz YUABBOSKGJONSE-YMTOWFKASA-N 0 1 262.353 3.537 20 0 CHADMN C[C@H]1CSC[C@H]1Nc1ccnc2cc(F)ccc21 ZINC000672327449 1120290378 /nfs/dbraw/zinc/29/03/78/1120290378.db2.gz YUABBOSKGJONSE-LKFCYVNXSA-N 0 1 262.353 3.537 20 0 CHADMN CC[C@H]([NH2+]Cc1nc(C)ccc1[O-])C1CCCCC1 ZINC000112716944 1120294199 /nfs/dbraw/zinc/29/41/99/1120294199.db2.gz VMOFCSUHCFMPSR-AWEZNQCLSA-N 0 1 262.397 3.544 20 0 CHADMN CCc1nc([C@@H](C)NC[C@@H]2CC2(Cl)Cl)cs1 ZINC000309456267 1120300868 /nfs/dbraw/zinc/30/08/68/1120300868.db2.gz MNWAWPGSQLHQHN-SFYZADRCSA-N 0 1 279.236 3.550 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2noc(-c3ccccc3)n2)[C@H]2CCCC[C@@H]12 ZINC000542969819 1120302539 /nfs/dbraw/zinc/30/25/39/1120302539.db2.gz BUUNMDMLPOYXES-KBMXLJTQSA-N 0 1 297.402 3.747 20 0 CHADMN C[C@@H]1CN(Cc2noc(-c3ccccc3)n2)[C@H]2CCCC[C@@H]12 ZINC000542969819 1120302542 /nfs/dbraw/zinc/30/25/42/1120302542.db2.gz BUUNMDMLPOYXES-KBMXLJTQSA-N 0 1 297.402 3.747 20 0 CHADMN CN(C(=O)c1cccc2c[nH]nc21)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416285088 1120305120 /nfs/dbraw/zinc/30/51/20/1120305120.db2.gz BMVYFWNKQADLOF-HUUCEWRRSA-N 0 1 299.418 3.850 20 0 CHADMN C[C@@H](CCCC(C)(C)O)Nc1cc(OCC2CC2)ccn1 ZINC001168697920 1120307225 /nfs/dbraw/zinc/30/72/25/1120307225.db2.gz HIDNMRASRDYAJK-ZDUSSCGKSA-N 0 1 292.423 3.612 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1nccc2c1CCCC2 ZINC000921964634 1120307791 /nfs/dbraw/zinc/30/77/91/1120307791.db2.gz RRHHNZJEKPMQAG-CQSZACIVSA-N 0 1 295.430 3.769 20 0 CHADMN C=C/C(C)=C/CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000672486818 1120313581 /nfs/dbraw/zinc/31/35/81/1120313581.db2.gz UDYWCQLVJAVLKT-XBXARRHUSA-N 0 1 269.703 3.646 20 0 CHADMN C[C@@H](C(=O)Nc1cc(Cl)c(O)cc1F)c1ccco1 ZINC000672485840 1120314267 /nfs/dbraw/zinc/31/42/67/1120314267.db2.gz SQFCJWMNGPTWFD-SSDOTTSWSA-N 0 1 283.686 3.520 20 0 CHADMN CCN(Cc1csc(CCC(C)C)n1)C[C@@H]1CCOC1 ZINC000065041125 1120315865 /nfs/dbraw/zinc/31/58/65/1120315865.db2.gz YYDRJWGVXVXAGT-AWEZNQCLSA-N 0 1 296.480 3.590 20 0 CHADMN CC(C)CCN(C)[C@H](C)c1nnc(-c2cccs2)o1 ZINC000077211667 1120319947 /nfs/dbraw/zinc/31/99/47/1120319947.db2.gz CKEKNCKNHDOFNB-LLVKDONJSA-N 0 1 279.409 3.837 20 0 CHADMN O=C([O-])[C@H]1c2ccoc2CC[N@@H+]1CCC1CCCCCC1 ZINC000629366294 1128907889 /nfs/dbraw/zinc/90/78/89/1128907889.db2.gz QESARVNYILBPIQ-MRXNPFEDSA-N 0 1 291.391 3.624 20 0 CHADMN CCc1nc([C@@H](C)N2CC[C@@H]2c2ccc(Cl)cc2)n[nH]1 ZINC000659985699 1120323621 /nfs/dbraw/zinc/32/36/21/1120323621.db2.gz QKPWATWQSVELII-ZWNOBZJWSA-N 0 1 290.798 3.529 20 0 CHADMN CC1(C)C[C@H](N2CC[C@H]2c2ccc(Cl)cc2)CO1 ZINC000659985347 1120323638 /nfs/dbraw/zinc/32/36/38/1120323638.db2.gz HVEDXUBUFJDAHL-KBPBESRZSA-N 0 1 265.784 3.654 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cccc(C(F)F)c2F)n1 ZINC000634555838 1128908101 /nfs/dbraw/zinc/90/81/01/1128908101.db2.gz WNKUOHLAFWLGEF-SNVBAGLBSA-N 0 1 299.296 3.859 20 0 CHADMN Cc1cc(CN2CCc3nc(C)sc3C2)c(C)s1 ZINC001138567407 1128908148 /nfs/dbraw/zinc/90/81/48/1128908148.db2.gz AFWQKAXSBKPIDV-UHFFFAOYSA-N 0 1 278.446 3.688 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000629363020 1128908195 /nfs/dbraw/zinc/90/81/95/1128908195.db2.gz FKBXHXHMISOORG-GJZGRUSLSA-N 0 1 269.429 3.780 20 0 CHADMN c1cc(CN[C@H]2CCCc3sccc32)n(C2CCC2)n1 ZINC000922005108 1120328434 /nfs/dbraw/zinc/32/84/34/1120328434.db2.gz YNMAADCADYZOTC-HNNXBMFYSA-N 0 1 287.432 3.837 20 0 CHADMN COc1ccc(-c2cnc(CN(C)CCC(C)C)o2)cc1 ZINC000065281315 1120336770 /nfs/dbraw/zinc/33/67/70/1120336770.db2.gz CXEPUDKOIKNYQU-UHFFFAOYSA-N 0 1 288.391 3.828 20 0 CHADMN CC[C@H](Cc1cccs1)NCc1nccc(C(F)F)n1 ZINC000672623927 1120337060 /nfs/dbraw/zinc/33/70/60/1120337060.db2.gz CCBBKTAJFGBJJH-SNVBAGLBSA-N 0 1 297.374 3.587 20 0 CHADMN FC1(F)CCC[C@@H]1NC1CCC2(CCOCC2)CC1 ZINC000672622826 1120337472 /nfs/dbraw/zinc/33/74/72/1120337472.db2.gz UQORIHCCAULRJZ-ZDUSSCGKSA-N 0 1 273.367 3.503 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000629375019 1128909265 /nfs/dbraw/zinc/90/92/65/1128909265.db2.gz AGCNYFGAZNHBIS-UGQNZJGRSA-N 0 1 291.366 3.630 20 0 CHADMN CCC[C@H](C)N(C)CC(=O)Nc1cccc(Cl)c1C ZINC000042147466 1120338929 /nfs/dbraw/zinc/33/89/29/1120338929.db2.gz FZYNISFCWWSZPZ-NSHDSACASA-N 0 1 282.815 3.707 20 0 CHADMN CC(C)(CC(F)(F)F)NCc1nccc2c1CCCC2 ZINC000922036054 1120344592 /nfs/dbraw/zinc/34/45/92/1120344592.db2.gz FMXAYTDYNZBZOE-UHFFFAOYSA-N 0 1 286.341 3.781 20 0 CHADMN COc1ccsc1CNCc1cc2ccccc2[nH]1 ZINC000343855471 1120352036 /nfs/dbraw/zinc/35/20/36/1120352036.db2.gz SDBIHDRDWULAOL-UHFFFAOYSA-N 0 1 272.373 3.528 20 0 CHADMN C[C@H]1CCc2ccccc2[C@@H]1NCc1nccn1C1CC1 ZINC000893268646 1120362625 /nfs/dbraw/zinc/36/26/25/1120362625.db2.gz HKLXNGKMADDDTC-SCLBCKFNSA-N 0 1 281.403 3.631 20 0 CHADMN CC(C)C[C@H](C)CN[C@H](C)c1nc(C(C)(C)C)no1 ZINC000499624313 1120367315 /nfs/dbraw/zinc/36/73/15/1120367315.db2.gz HAKMTPCKHVVFQW-NWDGAFQWSA-N 0 1 267.417 3.700 20 0 CHADMN CC[C@@](C)(NC[C@H](OC)C1CCCC1)c1nccs1 ZINC000660079643 1120367676 /nfs/dbraw/zinc/36/76/76/1120367676.db2.gz NJCZMJZVXVDQDH-DZGCQCFKSA-N 0 1 282.453 3.563 20 0 CHADMN CC[C@H](O)[C@H]1CCCC[N@H+]1CCc1c(F)cccc1Cl ZINC000511582474 1120369708 /nfs/dbraw/zinc/36/97/08/1120369708.db2.gz TTXOMTQDIAFZKV-CVEARBPZSA-N 0 1 299.817 3.647 20 0 CHADMN CC1(C)CCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185252179 1120373720 /nfs/dbraw/zinc/37/37/20/1120373720.db2.gz FSETWYJQVTXCMJ-UHFFFAOYSA-N 0 1 268.744 3.623 20 0 CHADMN COc1ccc(CN[C@H]2c3ccccc3O[C@H]2C)c(C)c1 ZINC000922134686 1120379843 /nfs/dbraw/zinc/37/98/43/1120379843.db2.gz QWTYYYNRMIPIHR-SCLBCKFNSA-N 0 1 283.371 3.615 20 0 CHADMN C[C@@H](COc1cccc(F)c1)NCc1ccc(Cl)o1 ZINC000618467330 1128913006 /nfs/dbraw/zinc/91/30/06/1128913006.db2.gz TUGNNPFJIKXFDN-JTQLQIEISA-N 0 1 283.730 3.629 20 0 CHADMN CC(C)C[N@@H+](CCCCC(=O)[O-])CCc1ccc(F)cc1 ZINC000629501432 1128913036 /nfs/dbraw/zinc/91/30/36/1128913036.db2.gz LMGWLQWRPAZQNR-UHFFFAOYSA-N 0 1 295.398 3.581 20 0 CHADMN CCOc1ccc2nc(SC/C=C/Cl)[nH]c2c1 ZINC000009966912 1120388211 /nfs/dbraw/zinc/38/82/11/1120388211.db2.gz PSZANFVWTUNCFM-ZZXKWVIFSA-N 0 1 268.769 3.806 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cnn(C3CCC3)c2)c2ccccc2O1 ZINC000922155766 1120395462 /nfs/dbraw/zinc/39/54/62/1120395462.db2.gz CZMHHZSGYQGGLG-CXAGYDPISA-N 0 1 297.402 3.610 20 0 CHADMN Fc1ccc(SCCN2CC[C@@H](C(F)F)C2)c(F)c1 ZINC000660147165 1120398946 /nfs/dbraw/zinc/39/89/46/1120398946.db2.gz MUYOIKPWCLZFKZ-SECBINFHSA-N 0 1 293.329 3.644 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1ccc(OC(F)F)cc1 ZINC000078679598 1120399323 /nfs/dbraw/zinc/39/93/23/1120399323.db2.gz FXDMAUAEXMMRRW-VIFPVBQESA-N 0 1 296.317 3.744 20 0 CHADMN C[C@H](N[C@H]1CCCCC[C@@H]1C)c1nc(C(C)(C)C)no1 ZINC000681411578 1120401926 /nfs/dbraw/zinc/40/19/26/1120401926.db2.gz HJFOJHRWIWEWFT-AVGNSLFASA-N 0 1 279.428 3.987 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H]2CCS[C@H]2C)cs1 ZINC000682162169 1120411332 /nfs/dbraw/zinc/41/13/32/1120411332.db2.gz FQUANVIYLAFJLV-GARJFASQSA-N 0 1 270.467 3.811 20 0 CHADMN C[C@@H](NCc1cnc2n1CCCC2)c1csc(Cl)c1 ZINC000367438838 1120418665 /nfs/dbraw/zinc/41/86/65/1120418665.db2.gz POPRFTGIDQQQJT-SNVBAGLBSA-N 0 1 295.839 3.785 20 0 CHADMN C[C@@H]1CCC[C@H](NCc2nccc(C(F)(F)F)n2)CC1 ZINC000641763250 1120425495 /nfs/dbraw/zinc/42/54/95/1120425495.db2.gz WUPJQZCOAGITOS-MNOVXSKESA-N 0 1 287.329 3.554 20 0 CHADMN Oc1ccc2c(c1)[C@@H](N[C@@H]1COCc3ccccc31)CCC2 ZINC000417355805 1120434175 /nfs/dbraw/zinc/43/41/75/1120434175.db2.gz DWVNGGJPQQFSIZ-RBUKOAKNSA-N 0 1 295.382 3.631 20 0 CHADMN Fc1cncc([C@H](N[C@@H]2COCc3ccccc32)C2CC2)c1 ZINC000417364543 1120437841 /nfs/dbraw/zinc/43/78/41/1120437841.db2.gz MXTFXGLXNYEPII-QZTJIDSGSA-N 0 1 298.361 3.533 20 0 CHADMN Cc1cccnc1[C@@H](NCc1cccnc1C)C(C)C ZINC000115622406 1120443119 /nfs/dbraw/zinc/44/31/19/1120443119.db2.gz CMCRWXFIULYSHY-INIZCTEOSA-N 0 1 269.392 3.580 20 0 CHADMN CC(C)=CCCN[C@H](c1nc(C2CC2)no1)C(C)C ZINC000660207756 1120443190 /nfs/dbraw/zinc/44/31/90/1120443190.db2.gz GWPRXLGMZFVQKC-ZDUSSCGKSA-N 0 1 263.385 3.590 20 0 CHADMN Cc1cccnc1[C@H](NCc1cccnc1C)C(C)C ZINC000115622403 1120443330 /nfs/dbraw/zinc/44/33/30/1120443330.db2.gz CMCRWXFIULYSHY-MRXNPFEDSA-N 0 1 269.392 3.580 20 0 CHADMN COc1cc([C@H](C)N[C@H]2CC[C@@H](C)c3ccccc32)on1 ZINC000925611892 1120461350 /nfs/dbraw/zinc/46/13/50/1120461350.db2.gz PRYXHBCICPZACJ-XUJVJEKNSA-N 0 1 286.375 3.972 20 0 CHADMN Cc1cccc([C@H](C)Sc2nc(C3CC3)n[nH]2)c1 ZINC000172915265 1120462127 /nfs/dbraw/zinc/46/21/27/1120462127.db2.gz QVRIEFGUCZRPHF-JTQLQIEISA-N 0 1 259.378 3.844 20 0 CHADMN Cc1cccc([C@H](C)Sc2n[nH]c(C3CC3)n2)c1 ZINC000172915265 1120462128 /nfs/dbraw/zinc/46/21/28/1120462128.db2.gz QVRIEFGUCZRPHF-JTQLQIEISA-N 0 1 259.378 3.844 20 0 CHADMN Cc1ccccc1C1(NCc2cccc3[nH]c(=O)oc32)CC1 ZINC000922208348 1120467339 /nfs/dbraw/zinc/46/73/39/1120467339.db2.gz ABWPFRKWODUOBO-UHFFFAOYSA-N 0 1 294.354 3.621 20 0 CHADMN CCc1ccccc1NC(=O)c1ccc(Cl)cc1O ZINC000019839993 1120472117 /nfs/dbraw/zinc/47/21/17/1120472117.db2.gz JAENYOHHXKEIDR-UHFFFAOYSA-N 0 1 275.735 3.860 20 0 CHADMN CCN(C)[C@@H](C(=O)Nc1ccc(C)cc1C)c1ccccc1 ZINC000068368789 1120473734 /nfs/dbraw/zinc/47/37/34/1120473734.db2.gz YSDSMAGEIGCMIA-GOSISDBHSA-N 0 1 296.414 3.935 20 0 CHADMN CCc1nc([C@@H](C)NC[C@H](OC)C2CCCC2)cs1 ZINC000660267824 1120474045 /nfs/dbraw/zinc/47/40/45/1120474045.db2.gz WTBVZOMQNGSLCL-RISCZKNCSA-N 0 1 282.453 3.561 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(CC2(C)CCCC2)no1 ZINC000843233300 1120475879 /nfs/dbraw/zinc/47/58/79/1120475879.db2.gz ZAUFRWRMPPDEJB-GFCCVEGCSA-N 0 1 279.428 3.889 20 0 CHADMN CO[C@H](CN[C@H](C)c1ncc(C)s1)C1CCCCC1 ZINC000660269489 1120476193 /nfs/dbraw/zinc/47/61/93/1120476193.db2.gz NVOZBNFDMHCBQR-TZMCWYRMSA-N 0 1 282.453 3.697 20 0 CHADMN CCN(Cc1cncn1CC)[C@H](C)c1ccc(F)cc1 ZINC000417724508 1120478121 /nfs/dbraw/zinc/47/81/21/1120478121.db2.gz DUPLLCROXZRPDA-CYBMUJFWSA-N 0 1 275.371 3.625 20 0 CHADMN C[C@@H](NCC1CC=CC1)c1nc(C2CCCCC2)no1 ZINC000660274898 1120478430 /nfs/dbraw/zinc/47/84/30/1120478430.db2.gz WTGVOMLYUOTMHJ-GFCCVEGCSA-N 0 1 275.396 3.734 20 0 CHADMN CCOC1(CN[C@@H](C)c2nc(C)sc2C)CCCC1 ZINC000311798099 1120479399 /nfs/dbraw/zinc/47/93/99/1120479399.db2.gz BGOCUTWUNDVSCC-NSHDSACASA-N 0 1 282.453 3.760 20 0 CHADMN c1cc2cc(CNCc3cnn(C4CCC4)c3)ccc2o1 ZINC000922239475 1120480411 /nfs/dbraw/zinc/48/04/11/1120480411.db2.gz RULLJKMVVNOLTN-UHFFFAOYSA-N 0 1 281.359 3.644 20 0 CHADMN C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000189533401 1120484353 /nfs/dbraw/zinc/48/43/53/1120484353.db2.gz RDSVWFONUPJPBY-SNVBAGLBSA-N 0 1 268.744 3.623 20 0 CHADMN CC[C@H]1CCCC[C@@H]1NCc1nnc(C(F)(F)F)s1 ZINC000660305714 1120489699 /nfs/dbraw/zinc/48/96/99/1120489699.db2.gz MQMSNLOQYSSTRU-IUCAKERBSA-N 0 1 293.358 3.615 20 0 CHADMN Cc1ccccc1[C@H](c1noc(CNCC2CC2)n1)C(C)C ZINC000843235738 1120490149 /nfs/dbraw/zinc/49/01/49/1120490149.db2.gz WWZXYPSHNUOTMU-QGZVFWFLSA-N 0 1 299.418 3.666 20 0 CHADMN C[C@@H](NCc1ccc(F)cc1)c1ccc(F)cc1F ZINC000019943896 1120497008 /nfs/dbraw/zinc/49/70/08/1120497008.db2.gz MUQGSJOKOROPJA-SNVBAGLBSA-N 0 1 265.278 3.955 20 0 CHADMN c1ccc([C@H](NCc2cccc3c2OCC3)C2CCC2)nc1 ZINC000922284764 1120497579 /nfs/dbraw/zinc/49/75/79/1120497579.db2.gz DRNUESNALKRJIE-GOSISDBHSA-N 0 1 294.398 3.648 20 0 CHADMN CCn1nncc1CN[C@H]1CCCc2ccc(C(C)C)cc21 ZINC000417955741 1120497701 /nfs/dbraw/zinc/49/77/01/1120497701.db2.gz DLGOUIINEREONI-SFHVURJKSA-N 0 1 298.434 3.589 20 0 CHADMN CCc1ncc(CN[C@H]2c3ccccc3CC[C@H]2C)o1 ZINC000651462462 1120500261 /nfs/dbraw/zinc/50/02/61/1120500261.db2.gz RXCOZOGFDXADRW-SJKOYZFVSA-N 0 1 270.376 3.650 20 0 CHADMN CC1(C[NH2+]Cc2c(F)ccc([O-])c2F)CCCCC1 ZINC000511650165 1120500753 /nfs/dbraw/zinc/50/07/53/1120500753.db2.gz VFYFYCIVQXGHLD-UHFFFAOYSA-N 0 1 269.335 3.730 20 0 CHADMN CCN(CCC1CC1)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000545519822 1120500768 /nfs/dbraw/zinc/50/07/68/1120500768.db2.gz YOJPFCXJBCIJPG-AWEZNQCLSA-N 0 1 299.418 3.843 20 0 CHADMN Cc1cc(-c2cccc3[nH]nnc32)c(F)cc1Cl ZINC001222232275 1120508064 /nfs/dbraw/zinc/50/80/64/1120508064.db2.gz NNZUVVTVBFJLLL-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN Fc1cccc(C[N@H+]2CC[C@H]3CCC[C@@H]32)c1OC(F)F ZINC000660332619 1120508699 /nfs/dbraw/zinc/50/86/99/1120508699.db2.gz RUHMVCWSTFZSGF-MFKMUULPSA-N 0 1 285.309 3.802 20 0 CHADMN Fc1cccc(CN2CC[C@H]3CCC[C@@H]32)c1OC(F)F ZINC000660332619 1120508704 /nfs/dbraw/zinc/50/87/04/1120508704.db2.gz RUHMVCWSTFZSGF-MFKMUULPSA-N 0 1 285.309 3.802 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1ccccc1F ZINC000657694852 1120510946 /nfs/dbraw/zinc/51/09/46/1120510946.db2.gz WPTUVDVJITUPKZ-PIGZYNQJSA-N 0 1 271.335 3.869 20 0 CHADMN C[C@H](NCc1cccnc1)c1csc(Cl)c1 ZINC000191105596 1120515004 /nfs/dbraw/zinc/51/50/04/1120515004.db2.gz NQEVMNMZHZACBN-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN CCCCOc1ccc(CNCc2ccccn2)cc1 ZINC000020091636 1120515860 /nfs/dbraw/zinc/51/58/60/1120515860.db2.gz YFTVPEIWMOZKMY-UHFFFAOYSA-N 0 1 270.376 3.550 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@@H](C)c1csc(Cl)c1 ZINC000191249438 1120518686 /nfs/dbraw/zinc/51/86/86/1120518686.db2.gz BDQSPANFDSBWCH-QMMMGPOBSA-N 0 1 283.828 3.603 20 0 CHADMN C[C@H]1CCc2ccccc2[C@@H]1NCc1cnc(C2CC2)o1 ZINC000651470724 1120519613 /nfs/dbraw/zinc/51/96/13/1120519613.db2.gz CSPNMJDPVSDVLE-YVEFUNNKSA-N 0 1 282.387 3.965 20 0 CHADMN Cc1cc([C@@H](C)NC[C@H](C)Sc2ccccc2)nn1C ZINC000282358351 1120531345 /nfs/dbraw/zinc/53/13/45/1120531345.db2.gz WASMBEMUORBNIX-UONOGXRCSA-N 0 1 289.448 3.560 20 0 CHADMN Cc1cccc(CN(C)[C@@H](C)c2ccc(F)nc2)c1 ZINC000929299130 1120532510 /nfs/dbraw/zinc/53/25/10/1120532510.db2.gz XQIXMTLUOMYKSF-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN Fc1ccccc1CN1CCC[C@H](Oc2ccccc2)C1 ZINC000500213934 1120533649 /nfs/dbraw/zinc/53/36/49/1120533649.db2.gz PIOGPPIUFUQMNP-KRWDZBQOSA-N 0 1 285.362 3.869 20 0 CHADMN FC(F)(F)c1cnc(CNCC[C@@H]2CC[C@H]3C[C@H]32)s1 ZINC000922431365 1120537805 /nfs/dbraw/zinc/53/78/05/1120537805.db2.gz JMEBDFGYNNERHB-GUBZILKMSA-N 0 1 290.354 3.688 20 0 CHADMN FC(F)(F)c1cnc(CNC[C@]23C[C@H]2CCCC3)s1 ZINC000922426116 1120538380 /nfs/dbraw/zinc/53/83/80/1120538380.db2.gz OHVOIUKASASFHD-SKDRFNHKSA-N 0 1 290.354 3.832 20 0 CHADMN Fc1ccc(/C=C\CNCc2nc3c(s2)CCC3)cc1 ZINC000922471543 1120542607 /nfs/dbraw/zinc/54/26/07/1120542607.db2.gz VVFKRSVHJNYMQZ-IHWYPQMZSA-N 0 1 288.391 3.574 20 0 CHADMN c1nc2ccc(NCCc3ccc4ccccc4c3)nc2[nH]1 ZINC001168727158 1120543659 /nfs/dbraw/zinc/54/36/59/1120543659.db2.gz HZTDWVHYXKWVQQ-UHFFFAOYSA-N 0 1 288.354 3.766 20 0 CHADMN Cc1ccc(CNCc2ccc(C(F)(F)F)s2)cn1 ZINC000428864946 1120543760 /nfs/dbraw/zinc/54/37/60/1120543760.db2.gz AYVLYLQXOPUPAL-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN C[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000019906714 1120544563 /nfs/dbraw/zinc/54/45/63/1120544563.db2.gz BXKQCSNPUUKFIB-LLVKDONJSA-N 0 1 280.293 3.951 20 0 CHADMN Clc1cccc(Cl)c1C1(NC2CCOCC2)CC1 ZINC000335959426 1120547863 /nfs/dbraw/zinc/54/78/63/1120547863.db2.gz XWSYILMCGZLVOG-UHFFFAOYSA-N 0 1 286.202 3.751 20 0 CHADMN COC(C)(C)[C@H](C)NCc1csc(-c2ccsc2)n1 ZINC000922583058 1120555652 /nfs/dbraw/zinc/55/56/52/1120555652.db2.gz SRPIFJKVXDKABY-JTQLQIEISA-N 0 1 296.461 3.775 20 0 CHADMN CSCCN1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347724121 1120559434 /nfs/dbraw/zinc/55/94/34/1120559434.db2.gz GBJMNZPLZKZWGT-CYBMUJFWSA-N 0 1 295.839 3.716 20 0 CHADMN CC[C@H](C)CN(CC)Cc1c(F)ccc(O)c1F ZINC000508960825 1120561374 /nfs/dbraw/zinc/56/13/74/1120561374.db2.gz BCGALQCGSVUCEO-JTQLQIEISA-N 0 1 257.324 3.538 20 0 CHADMN CCc1cccc2c(C(=O)[C@H](NC)c3ccccc3)c[nH]c21 ZINC000043305014 1120562376 /nfs/dbraw/zinc/56/23/76/1120562376.db2.gz VCKWUGBCIAIGFM-GOSISDBHSA-N 0 1 292.382 3.874 20 0 CHADMN CC[C@H](NCc1cccc(O)c1)c1cc(F)ccc1OC ZINC000922620802 1120564755 /nfs/dbraw/zinc/56/47/55/1120564755.db2.gz YEMIPZGRPUGOEV-INIZCTEOSA-N 0 1 289.350 3.781 20 0 CHADMN Brc1ccc2c(c1)[C@H](NCc1ccoc1)CC2 ZINC000193163670 1120565366 /nfs/dbraw/zinc/56/53/66/1120565366.db2.gz TYCOMQXVFOCGGC-CQSZACIVSA-N 0 1 292.176 3.819 20 0 CHADMN COc1cc(F)cc(CN[C@H](C)c2cc(O)cc(F)c2)c1 ZINC000925680178 1120570885 /nfs/dbraw/zinc/57/08/85/1120570885.db2.gz MSAYHBMJLCVCLD-SNVBAGLBSA-N 0 1 293.313 3.530 20 0 CHADMN CC(C)(/C=C/Cl)NCc1cnn(Cc2ccccc2)c1 ZINC000922649306 1120571540 /nfs/dbraw/zinc/57/15/40/1120571540.db2.gz DPXYJLOQZIRFKU-CMDGGOBGSA-N 0 1 289.810 3.552 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1ccc(F)nc1 ZINC000922667848 1120574934 /nfs/dbraw/zinc/57/49/34/1120574934.db2.gz TWDIXZMGZBFCNQ-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN Cc1nc(C)c(CN[C@H](C)c2ccc(F)cc2C)o1 ZINC000922666791 1120575050 /nfs/dbraw/zinc/57/50/50/1120575050.db2.gz GVBRWJYJMXGDQW-SNVBAGLBSA-N 0 1 262.328 3.590 20 0 CHADMN CC(C)(C)c1ncc(CN2CC[C@]3(CC3(F)F)C2)s1 ZINC000652063067 1120575314 /nfs/dbraw/zinc/57/53/14/1120575314.db2.gz CWGYNVTZTPXJSQ-ZDUSSCGKSA-N 0 1 286.391 3.672 20 0 CHADMN COc1ccccc1CN[C@H](C)c1ccc(F)cc1C ZINC000922664799 1120576392 /nfs/dbraw/zinc/57/63/92/1120576392.db2.gz FIIJXWCSCGXADQ-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2ccc(OC)c(C)c2)o1 ZINC000922671903 1120576885 /nfs/dbraw/zinc/57/68/85/1120576885.db2.gz IGKBKYJYPMCBGB-ZDUSSCGKSA-N 0 1 289.375 3.594 20 0 CHADMN CCN(Cc1n[nH]c(C(C)C)n1)c1ccc(Cl)c(F)c1 ZINC000428949361 1120581659 /nfs/dbraw/zinc/58/16/59/1120581659.db2.gz ATEOUSOFSNMUMC-UHFFFAOYSA-N 0 1 296.777 3.747 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H](C)c1cccc(O)c1 ZINC000020096894 1120584167 /nfs/dbraw/zinc/58/41/67/1120584167.db2.gz YIMFJLWIEBSCKC-STQMWFEESA-N 0 1 271.360 3.813 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@@H](C)c1ccnn1C1CCC1 ZINC000925684966 1120585940 /nfs/dbraw/zinc/58/59/40/1120585940.db2.gz JRUJNOXSBFXSKY-KGLIPLIRSA-N 0 1 298.434 3.977 20 0 CHADMN CCCCO[C@@H]1C[C@@H](N(C)Cc2conc2CC)C1(C)C ZINC000509008994 1120587256 /nfs/dbraw/zinc/58/72/56/1120587256.db2.gz VKDJMSANCDNOAW-HZPDHXFCSA-N 0 1 294.439 3.653 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@H](C)c1cnn(C2CCC2)c1 ZINC000925686119 1120587583 /nfs/dbraw/zinc/58/75/83/1120587583.db2.gz RUVWHYZONCYEQC-ZIAGYGMSSA-N 0 1 298.434 3.977 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@H](CC)c1cccc(OC)n1 ZINC000925685228 1120587952 /nfs/dbraw/zinc/58/79/52/1120587952.db2.gz LCHBEIHQJWYATR-CZUORRHYSA-N 0 1 299.418 3.850 20 0 CHADMN CC(C)O[C@@H](CN1CC(C)(C)OC[C@@H]1C)c1ccccc1 ZINC000428971426 1120593380 /nfs/dbraw/zinc/59/33/80/1120593380.db2.gz VUPZKONBJOYLMT-RDJZCZTQSA-N 0 1 291.435 3.652 20 0 CHADMN CCC[C@@H](O)CCNCc1csc(-c2ccsc2)n1 ZINC000922826478 1120605751 /nfs/dbraw/zinc/60/57/51/1120605751.db2.gz ZNSNWDSESKZQRL-CYBMUJFWSA-N 0 1 296.461 3.512 20 0 CHADMN CS[C@@H]1CC[C@@H]1N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343867991 1120606742 /nfs/dbraw/zinc/60/67/42/1120606742.db2.gz VEDUHTFPPLQDKO-BIIVOSGPSA-N 0 1 296.383 3.707 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000509039480 1120609545 /nfs/dbraw/zinc/60/95/45/1120609545.db2.gz KRNVJUHCXAFZTD-LBPRGKRZSA-N 0 1 295.810 3.733 20 0 CHADMN CCO[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000155996630 1120609620 /nfs/dbraw/zinc/60/96/20/1120609620.db2.gz PZZDUNONLDLZIJ-CQSZACIVSA-N 0 1 287.325 3.706 20 0 CHADMN Cc1cc([C@H](C)N[C@H](c2ccccc2)C2CCC2)nn1C ZINC000282397058 1120614184 /nfs/dbraw/zinc/61/41/84/1120614184.db2.gz XTBXZGNWSKRKOO-KBXCAEBGSA-N 0 1 283.419 3.921 20 0 CHADMN c1ccc2ncc(CN[C@@H]3CCCc4cccnc43)cc2c1 ZINC000922880963 1120617199 /nfs/dbraw/zinc/61/71/99/1120617199.db2.gz GVNNXXDWKNLKJX-GOSISDBHSA-N 0 1 289.382 3.797 20 0 CHADMN CN(CCCOc1ccccc1)Cc1cccc(F)c1F ZINC000509056092 1120617576 /nfs/dbraw/zinc/61/75/76/1120617576.db2.gz HTISGUNVQKITCN-UHFFFAOYSA-N 0 1 291.341 3.866 20 0 CHADMN C[C@@H]1CCCN(Cc2coc(-c3ccccc3F)n2)C1 ZINC000625064370 1120627967 /nfs/dbraw/zinc/62/79/67/1120627967.db2.gz IVRLKOCDWMHZKR-GFCCVEGCSA-N 0 1 274.339 3.713 20 0 CHADMN [O-]c1ccc(Br)cc1C[N@@H+]1CCCC2(CC2)C1 ZINC000186626040 1120628567 /nfs/dbraw/zinc/62/85/67/1120628567.db2.gz LZNUQAJDDLUCSE-UHFFFAOYSA-N 0 1 296.208 3.531 20 0 CHADMN [O-]c1ccc(Br)cc1C[N@H+]1CCCC2(CC2)C1 ZINC000186626040 1120628572 /nfs/dbraw/zinc/62/85/72/1120628572.db2.gz LZNUQAJDDLUCSE-UHFFFAOYSA-N 0 1 296.208 3.531 20 0 CHADMN C[C@H](N(C)Cc1ccncc1Br)C(C)(C)C ZINC000625079224 1120630482 /nfs/dbraw/zinc/63/04/82/1120630482.db2.gz URYNPIYYKZVURB-JTQLQIEISA-N 0 1 285.229 3.711 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@H](C(=O)c3ccccc3)C2)c1 ZINC001143618680 1120632758 /nfs/dbraw/zinc/63/27/58/1120632758.db2.gz CVWLHVTVZCOFAA-KRWDZBQOSA-N 0 1 297.373 3.839 20 0 CHADMN Cc1ccc(C[C@H](C)N(C)Cc2noc3c2CCCC3)cc1 ZINC000156861407 1120637546 /nfs/dbraw/zinc/63/75/46/1120637546.db2.gz KIPXKZRUKWMXOX-HNNXBMFYSA-N 0 1 298.430 3.925 20 0 CHADMN COc1cc(CN2CCC[C@@H]2C)cc(C(F)(F)F)c1 ZINC001143511871 1120640503 /nfs/dbraw/zinc/64/05/03/1120640503.db2.gz OXHVXOCCNMCBQT-JTQLQIEISA-N 0 1 273.298 3.698 20 0 CHADMN COc1ccc(/C=C/c2cccc([C@@H]3COCCN3)c2)cc1 ZINC000629730334 1128930535 /nfs/dbraw/zinc/93/05/35/1128930535.db2.gz HFYYSRQZAJTQFJ-UEKDZROGSA-N 0 1 295.382 3.527 20 0 CHADMN CC(C)Oc1ccc(-c2ccc([C@H]3COCCN3)cc2)cc1 ZINC000629733425 1128930624 /nfs/dbraw/zinc/93/06/24/1128930624.db2.gz RUGCKMYJZZEXED-LJQANCHMSA-N 0 1 297.398 3.802 20 0 CHADMN CCc1ccc([C@@H](NCc2cncc(OC)n2)C(C)C)cc1 ZINC000625228266 1120651162 /nfs/dbraw/zinc/65/11/62/1120651162.db2.gz IVZULHLUCBERGD-SFHVURJKSA-N 0 1 299.418 3.535 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Cl)nc2)CC1(C)C ZINC000759920466 1120652749 /nfs/dbraw/zinc/65/27/49/1120652749.db2.gz DSLHQLHJSOKGBF-LLVKDONJSA-N 0 1 252.789 3.603 20 0 CHADMN CC(C)[C@@]1(CO)CCN([C@@H](C)c2cccc(Cl)c2F)C1 ZINC001117673480 1120655652 /nfs/dbraw/zinc/65/56/52/1120655652.db2.gz QNICZGBBROQHQN-LRDDRELGSA-N 0 1 299.817 3.881 20 0 CHADMN CC(C)[C@]1(CO)CCN([C@H](C)c2cccc(Cl)c2F)C1 ZINC001117673481 1120655689 /nfs/dbraw/zinc/65/56/89/1120655689.db2.gz QNICZGBBROQHQN-MLGOLLRUSA-N 0 1 299.817 3.881 20 0 CHADMN Cc1ccc2sc(CN(C)[C@H]3CCSC3)nc2c1 ZINC000625263136 1120657155 /nfs/dbraw/zinc/65/71/55/1120657155.db2.gz BSZYZPPZMFOOIY-NSHDSACASA-N 0 1 278.446 3.542 20 0 CHADMN Cc1nc(CN2CC[C@@H](C(C)(C)C)C[C@H]2C)co1 ZINC000660556019 1120657507 /nfs/dbraw/zinc/65/75/07/1120657507.db2.gz CIKQORQALLGLLP-DGCLKSJQSA-N 0 1 250.386 3.630 20 0 CHADMN COc1cncc(CN[C@H](CC(C)(C)C)c2ccccc2)n1 ZINC000625287708 1120661882 /nfs/dbraw/zinc/66/18/82/1120661882.db2.gz PTIBDEZNJCRPAX-MRXNPFEDSA-N 0 1 299.418 3.752 20 0 CHADMN CC[C@@H]1CN(Cc2cc3ccccc3s2)C[C@@H](C)O1 ZINC000511854413 1120664094 /nfs/dbraw/zinc/66/40/94/1120664094.db2.gz HTCSJFPECKJMJS-TZMCWYRMSA-N 0 1 275.417 3.901 20 0 CHADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1ccc(C)cc1C ZINC000673731235 1120665715 /nfs/dbraw/zinc/66/57/15/1120665715.db2.gz QUBCVXYLOPKTRN-UHFFFAOYSA-N 0 1 297.280 3.606 20 0 CHADMN CC[C@@H](NCc1noc(C2CCC2)n1)C1CCCCC1 ZINC000625304552 1120666413 /nfs/dbraw/zinc/66/64/13/1120666413.db2.gz LDYWZIZIYBPNAU-CQSZACIVSA-N 0 1 277.412 3.786 20 0 CHADMN CCc1ccc([C@@H]2CCN(Cc3coc(C)n3)C2)cc1 ZINC000660621823 1120669474 /nfs/dbraw/zinc/66/94/74/1120669474.db2.gz BXDPHENJWKQOBP-MRXNPFEDSA-N 0 1 270.376 3.535 20 0 CHADMN CN(C)c1ncc(CN(C)Cc2ccoc2)c2ccccc21 ZINC000929328825 1120677340 /nfs/dbraw/zinc/67/73/40/1120677340.db2.gz YJYRIHRAKGNJCO-UHFFFAOYSA-N 0 1 295.386 3.526 20 0 CHADMN CCO[C@H]1CCN(Cc2nsc3ccccc32)C[C@@H]1C ZINC000660720818 1120680485 /nfs/dbraw/zinc/68/04/85/1120680485.db2.gz RZHBNCCKONFABA-WFASDCNBSA-N 0 1 290.432 3.543 20 0 CHADMN CN(Cc1nsc2ccccc21)[C@@H](CO)CC(C)(C)C ZINC000660734720 1120683291 /nfs/dbraw/zinc/68/32/91/1120683291.db2.gz FSSVJUDSJFAKFF-GFCCVEGCSA-N 0 1 292.448 3.525 20 0 CHADMN CN(Cc1nc2c(s1)CCCC2)C1Cc2ccccc2C1 ZINC000673857365 1120684805 /nfs/dbraw/zinc/68/48/05/1120684805.db2.gz HNKIIHNCXXVTBE-UHFFFAOYSA-N 0 1 298.455 3.621 20 0 CHADMN CC(C)(C)Oc1ccnc(NC(C2CC2)C2CC2)c1 ZINC001168746760 1120687050 /nfs/dbraw/zinc/68/70/50/1120687050.db2.gz IBKJPTUQTMYGTR-UHFFFAOYSA-N 0 1 260.381 3.859 20 0 CHADMN c1cc(-c2ccc([C@@H]3COCCN3)cc2)ccc1OC1CC1 ZINC000629755116 1128933492 /nfs/dbraw/zinc/93/34/92/1128933492.db2.gz WULQGEUAGDMERT-IBGZPJMESA-N 0 1 295.382 3.556 20 0 CHADMN CCc1nnc(SCCCOc2cc(C)cc(C)c2)[nH]1 ZINC000044127092 1120689383 /nfs/dbraw/zinc/68/93/83/1120689383.db2.gz IXFFFUNVJJIABA-UHFFFAOYSA-N 0 1 291.420 3.545 20 0 CHADMN CCc1n[nH]c(SCCCOc2cc(C)cc(C)c2)n1 ZINC000044127092 1120689386 /nfs/dbraw/zinc/68/93/86/1120689386.db2.gz IXFFFUNVJJIABA-UHFFFAOYSA-N 0 1 291.420 3.545 20 0 CHADMN CC(C)(C)O[C@@H]1C[C@H](NCc2cc(C3CC3)no2)C1(C)C ZINC000660813799 1120691171 /nfs/dbraw/zinc/69/11/71/1120691171.db2.gz ZBIDMZNFMHPXBU-LSDHHAIUSA-N 0 1 292.423 3.624 20 0 CHADMN Cc1cccc(CN(C)Cc2cccc3c2CCC3)n1 ZINC000651644245 1120691961 /nfs/dbraw/zinc/69/19/61/1120691961.db2.gz JZNXIUGRDSFGCF-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@@H]1CCc2ccc(F)cc21 ZINC000673931219 1120693942 /nfs/dbraw/zinc/69/39/42/1120693942.db2.gz VKEQGWBOOSPVMX-BJOHPYRUSA-N 0 1 274.339 3.769 20 0 CHADMN CCc1nocc1CNC1(c2cccc(C)c2)CCC1 ZINC000660900270 1120698060 /nfs/dbraw/zinc/69/80/60/1120698060.db2.gz PZAPSTNNTQUVNT-UHFFFAOYSA-N 0 1 270.376 3.714 20 0 CHADMN CO[C@H](CN1CCc2sc(Cl)cc2C1)C1CCC1 ZINC000660897445 1120699835 /nfs/dbraw/zinc/69/98/35/1120699835.db2.gz KDXMIIORXIFGNY-GFCCVEGCSA-N 0 1 285.840 3.575 20 0 CHADMN Cc1ncc2c(n1)CCC[C@@H]2N[C@@H](C)c1ccsc1 ZINC000766044465 1120702426 /nfs/dbraw/zinc/70/24/26/1120702426.db2.gz MBJFRUFMDMQUHR-HZMBPMFUSA-N 0 1 273.405 3.575 20 0 CHADMN Cc1noc([C@@H](C)N(C)C[C@@H]2CCCCC2(C)C)n1 ZINC000660926928 1120703794 /nfs/dbraw/zinc/70/37/94/1120703794.db2.gz ULMOBASVBXEIQG-YPMHNXCESA-N 0 1 265.401 3.587 20 0 CHADMN Cc1ccsc1CN(C)Cc1ccc(Cl)nc1 ZINC000253599904 1128934966 /nfs/dbraw/zinc/93/49/66/1128934966.db2.gz WTZVOKIYMJFYCB-UHFFFAOYSA-N 0 1 266.797 3.737 20 0 CHADMN CN(CCCSc1ccccc1Cl)Cc1c[nH]cn1 ZINC000661086854 1120714766 /nfs/dbraw/zinc/71/47/66/1120714766.db2.gz JWECVIBTQWKDSU-UHFFFAOYSA-N 0 1 295.839 3.677 20 0 CHADMN CCc1nnc([C@H](C)N[C@@H]2CCCC23CCCCC3)o1 ZINC000661127309 1120724800 /nfs/dbraw/zinc/72/48/00/1120724800.db2.gz DRWKSPYQHCCAAN-QWHCGFSZSA-N 0 1 277.412 3.786 20 0 CHADMN Cc1ccc2[nH]c(CNCc3cccc4c3CCC4)nc2c1 ZINC000651725831 1120727105 /nfs/dbraw/zinc/72/71/05/1120727105.db2.gz RFEBFSWPBNEWDJ-UHFFFAOYSA-N 0 1 291.398 3.650 20 0 CHADMN Cc1ccc2nc(CNCc3cccc4c3CCC4)[nH]c2c1 ZINC000651725831 1120727111 /nfs/dbraw/zinc/72/71/11/1120727111.db2.gz RFEBFSWPBNEWDJ-UHFFFAOYSA-N 0 1 291.398 3.650 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1nc([C@@H](C)OCC(C)C)no1 ZINC000661233352 1120743107 /nfs/dbraw/zinc/74/31/07/1120743107.db2.gz YGFUMGNCSVNJPA-CHWSQXEVSA-N 0 1 297.443 3.718 20 0 CHADMN Cc1ccccc1-c1cnc(CN2CCC[C@H](C)C2)o1 ZINC000075616502 1120753834 /nfs/dbraw/zinc/75/38/34/1120753834.db2.gz OEUUYADOAWSLDV-ZDUSSCGKSA-N 0 1 270.376 3.882 20 0 CHADMN C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1cc2cnccc2o1 ZINC000651821197 1120754214 /nfs/dbraw/zinc/75/42/14/1120754214.db2.gz HGDWEKNQBPEGAO-CMPLNLGQSA-N 0 1 298.308 3.991 20 0 CHADMN C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1cc2cnccc2o1 ZINC000651821198 1120754384 /nfs/dbraw/zinc/75/43/84/1120754384.db2.gz HGDWEKNQBPEGAO-JQWIXIFHSA-N 0 1 298.308 3.991 20 0 CHADMN CC1(CNCc2c(F)cc(F)c(F)c2F)CCC1 ZINC000430036407 1120755360 /nfs/dbraw/zinc/75/53/60/1120755360.db2.gz PHJGWVMJJNRSSH-UHFFFAOYSA-N 0 1 261.262 3.523 20 0 CHADMN CSc1ccc(OCCN[C@@H](C)c2cscn2)cc1 ZINC000661427147 1120764477 /nfs/dbraw/zinc/76/44/77/1120764477.db2.gz YTCBBOAOJJSDMV-NSHDSACASA-N 0 1 294.445 3.595 20 0 CHADMN c1coc([C@@H]2N(CCOC3CCC3)CC23CCCC3)c1 ZINC000661435220 1120765261 /nfs/dbraw/zinc/76/52/61/1120765261.db2.gz NTULQBZKDOMARV-INIZCTEOSA-N 0 1 275.392 3.766 20 0 CHADMN CC[N@@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000045770994 1120768119 /nfs/dbraw/zinc/76/81/19/1120768119.db2.gz DCOUEPHKTXPNDZ-UHFFFAOYSA-N 0 1 276.767 3.979 20 0 CHADMN CCN(Cc1ncc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000045770994 1120768123 /nfs/dbraw/zinc/76/81/23/1120768123.db2.gz DCOUEPHKTXPNDZ-UHFFFAOYSA-N 0 1 276.767 3.979 20 0 CHADMN C[C@@H]1COC2(CCC2)CN1Cc1cc2ccccc2o1 ZINC000661467933 1120768867 /nfs/dbraw/zinc/76/88/67/1120768867.db2.gz WUOXUTLHSOKDJH-CYBMUJFWSA-N 0 1 271.360 3.576 20 0 CHADMN C[C@@]1(Cc2cccc(Cl)c2)CCCN1Cc1cocn1 ZINC000651889839 1120771075 /nfs/dbraw/zinc/77/10/75/1120771075.db2.gz BLNMTSBJJJYZTN-INIZCTEOSA-N 0 1 290.794 3.925 20 0 CHADMN C[C@H]1c2ccccc2C[C@H]1NCc1nc(C2CCCC2)no1 ZINC000661521378 1120773642 /nfs/dbraw/zinc/77/36/42/1120773642.db2.gz YGWCKPOPJALHCY-BLLLJJGKSA-N 0 1 297.402 3.545 20 0 CHADMN C/C=C\C[C@H]1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000629873914 1128939695 /nfs/dbraw/zinc/93/96/95/1128939695.db2.gz RRBHFNSYXBVXFH-GXMNPTEKSA-N 0 1 289.423 3.660 20 0 CHADMN Fc1cccc(F)c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000511891828 1120777629 /nfs/dbraw/zinc/77/76/29/1120777629.db2.gz RBQZNJKCEYXYRO-IAQYHMDHSA-N 0 1 251.320 3.729 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@H]2CCC[C@H]21 ZINC000511891828 1120777632 /nfs/dbraw/zinc/77/76/32/1120777632.db2.gz RBQZNJKCEYXYRO-IAQYHMDHSA-N 0 1 251.320 3.729 20 0 CHADMN C/C=C/C[C@H]1CCCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000629873737 1128939930 /nfs/dbraw/zinc/93/99/30/1128939930.db2.gz SXSVCPRJDIQSPJ-XGACYXMMSA-N 0 1 297.402 3.690 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)[C@@H]2CCCC[C@H]21 ZINC000473117313 1120781032 /nfs/dbraw/zinc/78/10/32/1120781032.db2.gz BLUBSHIZZQBMRU-OUAUKWLOSA-N 0 1 270.829 3.807 20 0 CHADMN C[C@@H]1CN(Cc2ncc(Cl)s2)[C@@H]2CCCC[C@H]21 ZINC000473117313 1120781035 /nfs/dbraw/zinc/78/10/35/1120781035.db2.gz BLUBSHIZZQBMRU-OUAUKWLOSA-N 0 1 270.829 3.807 20 0 CHADMN CC(C)c1noc(CN2CC[C@H](C3CCCCC3)C2)n1 ZINC000661586513 1120782323 /nfs/dbraw/zinc/78/23/23/1120782323.db2.gz QNFMBQJPHCQIAI-AWEZNQCLSA-N 0 1 277.412 3.595 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@H]1C[C@H]1C1CCCC1 ZINC000652163428 1120794160 /nfs/dbraw/zinc/79/41/60/1120794160.db2.gz NXQYJLDXDRYDLY-UWVGGRQHSA-N 0 1 297.757 3.950 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1C[C@H]2COC[C@@]2(C)C1 ZINC000661703812 1120797218 /nfs/dbraw/zinc/79/72/18/1120797218.db2.gz MITOGQZRZMUZPL-JRPNMDOOSA-N 0 1 283.774 3.508 20 0 CHADMN FCC[C@H]1CCCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000661699208 1120797645 /nfs/dbraw/zinc/79/76/45/1120797645.db2.gz WVILUNZWZBCSCA-CQSZACIVSA-N 0 1 288.366 3.913 20 0 CHADMN CC(C)CC[N@@H+](Cc1cc(-c2ccco2)on1)C1CC1 ZINC000047912043 1120798268 /nfs/dbraw/zinc/79/82/68/1120798268.db2.gz QVKDMULSYZZYAL-UHFFFAOYSA-N 0 1 274.364 3.945 20 0 CHADMN CC(C)CCN(Cc1cc(-c2ccco2)on1)C1CC1 ZINC000047912043 1120798270 /nfs/dbraw/zinc/79/82/70/1120798270.db2.gz QVKDMULSYZZYAL-UHFFFAOYSA-N 0 1 274.364 3.945 20 0 CHADMN Cc1ccccc1-c1noc(C[N@H+]([C@H](C)C2CC2)C2CC2)n1 ZINC000047909047 1120798278 /nfs/dbraw/zinc/79/82/78/1120798278.db2.gz VLRGLLAWXKYEKX-CYBMUJFWSA-N 0 1 297.402 3.808 20 0 CHADMN Cc1ccccc1-c1noc(CN([C@H](C)C2CC2)C2CC2)n1 ZINC000047909047 1120798280 /nfs/dbraw/zinc/79/82/80/1120798280.db2.gz VLRGLLAWXKYEKX-CYBMUJFWSA-N 0 1 297.402 3.808 20 0 CHADMN O[C@]12C[C@H]1CN(Cc1sc3ccccc3c1Cl)CC2 ZINC000661713883 1120799372 /nfs/dbraw/zinc/79/93/72/1120799372.db2.gz NPZHXQPCBFBTPK-ZUZCIYMTSA-N 0 1 293.819 3.511 20 0 CHADMN Cc1ccccc1C1(N[C@H](C)c2ccncn2)CCC1 ZINC000652217383 1120799791 /nfs/dbraw/zinc/79/97/91/1120799791.db2.gz VYLZVPVXSHWNQC-CQSZACIVSA-N 0 1 267.376 3.515 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H]1N[C@@H](C)c1cscn1 ZINC000652240385 1120802878 /nfs/dbraw/zinc/80/28/78/1120802878.db2.gz YYQVRKCSBJEHGV-FPMFFAJLSA-N 0 1 258.390 3.658 20 0 CHADMN O=C(Nc1cccc(Cl)c1)c1cc(F)cc2[nH]cnc21 ZINC000048244281 1120805556 /nfs/dbraw/zinc/80/55/56/1120805556.db2.gz VPFPQWOWZUBELW-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN Fc1ccccc1CN(Cc1cccnc1)CC1CC1 ZINC000661794293 1120815049 /nfs/dbraw/zinc/81/50/49/1120815049.db2.gz QNBZZLFUYSRJMM-UHFFFAOYSA-N 0 1 270.351 3.633 20 0 CHADMN CCc1cccc(CN[C@@H](C)c2cnc(C)nc2C)c1 ZINC000652307312 1120816953 /nfs/dbraw/zinc/81/69/53/1120816953.db2.gz USWMTRZRQNZERL-LBPRGKRZSA-N 0 1 269.392 3.507 20 0 CHADMN CCc1cccc(CN[C@H](C)c2cnc(C)nc2C)c1 ZINC000652307311 1120817171 /nfs/dbraw/zinc/81/71/71/1120817171.db2.gz USWMTRZRQNZERL-GFCCVEGCSA-N 0 1 269.392 3.507 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(O)cc(F)c1 ZINC000473150046 1120819531 /nfs/dbraw/zinc/81/95/31/1120819531.db2.gz WJJUFUZIKZJCQE-KFNAQCHYSA-N 0 1 263.356 3.684 20 0 CHADMN Cc1nc(CN[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)c(C)o1 ZINC000661842479 1120823609 /nfs/dbraw/zinc/82/36/09/1120823609.db2.gz CHYLTAFMBTXUET-LSDHHAIUSA-N 0 1 292.423 3.507 20 0 CHADMN Cc1nc(CN[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)c(C)o1 ZINC000661842477 1120823716 /nfs/dbraw/zinc/82/37/16/1120823716.db2.gz CHYLTAFMBTXUET-HUUCEWRRSA-N 0 1 292.423 3.507 20 0 CHADMN CC(C)C1CCC(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])CC1 ZINC000313980236 1120833608 /nfs/dbraw/zinc/83/36/08/1120833608.db2.gz MJDLNLVJKCSJKY-YOTSKQKMSA-N 0 1 293.451 3.634 20 0 CHADMN CCc1cccc(OCC[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000531440484 1120835401 /nfs/dbraw/zinc/83/54/01/1120835401.db2.gz UCSDBBQOLPLSGL-IBGZPJMESA-N 0 1 296.414 3.860 20 0 CHADMN c1nc(CN2CC[C@H]3C[C@H]3C2)sc1-c1ccccc1 ZINC000661973384 1120848912 /nfs/dbraw/zinc/84/89/12/1120848912.db2.gz SXGUCAVXMRUHIV-KBPBESRZSA-N 0 1 270.401 3.652 20 0 CHADMN C[C@H](c1ncc(-c2ccccc2)o1)N1CC[C@H]2C[C@H]2C1 ZINC000661972133 1120850095 /nfs/dbraw/zinc/85/00/95/1120850095.db2.gz IWQSEHDFCYUKMN-SNPRPXQTSA-N 0 1 268.360 3.744 20 0 CHADMN C[C@H](N[C@@H](C)C1CCC(F)CC1)c1nc(C2CC2)no1 ZINC000661999246 1120854799 /nfs/dbraw/zinc/85/47/99/1120854799.db2.gz DYNGIPSZSZRWNC-QKIYJJFGSA-N 0 1 281.375 3.514 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000652429245 1120861352 /nfs/dbraw/zinc/86/13/52/1120861352.db2.gz DWSOMJNWJRKRRD-HIFRSBDPSA-N 0 1 299.370 3.746 20 0 CHADMN c1nc(CN2CCC[C@H](C3CCC3)C2)oc1C1CC1 ZINC000662041458 1120862995 /nfs/dbraw/zinc/86/29/95/1120862995.db2.gz ALNMWEOWVLNRCW-AWEZNQCLSA-N 0 1 260.381 3.564 20 0 CHADMN O=C([O-])C[N@@H+](CCC1CCCCC1)C1CCCCC1 ZINC000652482378 1120870719 /nfs/dbraw/zinc/87/07/19/1120870719.db2.gz YPPRNUTUEOAYIG-UHFFFAOYSA-N 0 1 267.413 3.676 20 0 CHADMN C[C@@H](C[N@@H+](CC(=O)[O-])C1CCCCC1)c1ccccc1 ZINC000652482864 1120871143 /nfs/dbraw/zinc/87/11/43/1120871143.db2.gz YPZXSEFDPULIPU-AWEZNQCLSA-N 0 1 275.392 3.509 20 0 CHADMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1F)C1CCCCC1 ZINC000652482669 1120871938 /nfs/dbraw/zinc/87/19/38/1120871938.db2.gz OMVVRRYEQZIIIP-UHFFFAOYSA-N 0 1 299.773 3.698 20 0 CHADMN CCc1nnc(C[N@H+](C(C)C)[C@H](CC)c2ccccc2)[nH]1 ZINC000662108007 1120876962 /nfs/dbraw/zinc/87/69/62/1120876962.db2.gz VAYSVHVGZMXRJN-OAHLLOKOSA-N 0 1 286.423 3.729 20 0 CHADMN C[C@@H]1CCC[C@H](C)[C@H]1NCc1noc(-c2ccsc2)n1 ZINC000248589240 1120877637 /nfs/dbraw/zinc/87/76/37/1120877637.db2.gz QVCGDYRFOUDVRV-YABSGUDNSA-N 0 1 291.420 3.712 20 0 CHADMN C[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000618850536 1128946601 /nfs/dbraw/zinc/94/66/01/1128946601.db2.gz GFIYLHAQWGBBFV-ZDUSSCGKSA-N 0 1 295.386 3.577 20 0 CHADMN CCCCC[C@@H]1CCCCN1Cc1ncnn1C(C)C ZINC000662153199 1120886469 /nfs/dbraw/zinc/88/64/69/1120886469.db2.gz AVWZMICCMRCMRA-OAHLLOKOSA-N 0 1 278.444 3.794 20 0 CHADMN Cc1ncc(CN2CCC[C@H]2c2ccc(F)cc2C)o1 ZINC000628302532 1120887559 /nfs/dbraw/zinc/88/75/59/1120887559.db2.gz HDDQSWUZEAUHET-INIZCTEOSA-N 0 1 274.339 3.768 20 0 CHADMN Cc1c(Cl)cccc1-c1ccc([C@@H]2COCCN2)cc1 ZINC000630060922 1128947002 /nfs/dbraw/zinc/94/70/02/1128947002.db2.gz SQAJOURHZYUQCZ-KRWDZBQOSA-N 0 1 287.790 3.976 20 0 CHADMN CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000388627176 1120899891 /nfs/dbraw/zinc/89/98/91/1120899891.db2.gz HNJDRHOZBLBHLX-PWSUYJOCSA-N 0 1 253.773 3.714 20 0 CHADMN CC(C)(C)C[N@@H+](CCc1ccc2ccccc2c1)CC(=O)[O-] ZINC000662221397 1120905428 /nfs/dbraw/zinc/90/54/28/1120905428.db2.gz BYOVAOLJIUNNJZ-UHFFFAOYSA-N 0 1 299.414 3.815 20 0 CHADMN Cc1scc(CN2C[C@H](C)OCC23CCC3)c1C ZINC000630072946 1128948517 /nfs/dbraw/zinc/94/85/17/1128948517.db2.gz NTOMJHAVPWDASY-NSHDSACASA-N 0 1 265.422 3.508 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N(C)CC1=CCSC1 ZINC000662270894 1120915654 /nfs/dbraw/zinc/91/56/54/1120915654.db2.gz QXXGHNCZQZRQJB-JTQLQIEISA-N 0 1 269.360 3.631 20 0 CHADMN CCCCOCCN[C@H](C)c1ccc(F)cc1Cl ZINC000040506908 1120918374 /nfs/dbraw/zinc/91/83/74/1120918374.db2.gz OBDIWVNPXJSVKQ-LLVKDONJSA-N 0 1 273.779 3.946 20 0 CHADMN CCCCOCCN[C@@H](C)c1ccc(F)cc1Cl ZINC000040506907 1120918514 /nfs/dbraw/zinc/91/85/14/1120918514.db2.gz OBDIWVNPXJSVKQ-NSHDSACASA-N 0 1 273.779 3.946 20 0 CHADMN CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000602112019 1120920977 /nfs/dbraw/zinc/92/09/77/1120920977.db2.gz UFNLHIDLGUZGMO-AWEZNQCLSA-N 0 1 293.370 3.770 20 0 CHADMN C[N@H+](Cc1cccc(C(=O)[O-])c1Cl)C[C@H]1CC1(C)C ZINC000663316235 1120922748 /nfs/dbraw/zinc/92/27/48/1120922748.db2.gz CMHKJJSPIXLDMH-LLVKDONJSA-N 0 1 281.783 3.516 20 0 CHADMN CC1(C)CCC[N@H+]1Cc1c2ccccc2sc1C(=O)[O-] ZINC000063067579 1120926131 /nfs/dbraw/zinc/92/61/31/1120926131.db2.gz JGWYAEYDEDEAMQ-UHFFFAOYSA-N 0 1 289.400 3.974 20 0 CHADMN c1ccc(C23CC(C2)CN3Cc2nc3ccccc3o2)cc1 ZINC000662336048 1120926713 /nfs/dbraw/zinc/92/67/13/1120926713.db2.gz RBYQLMPUIJNVMI-UHFFFAOYSA-N 0 1 290.366 3.949 20 0 CHADMN COc1cncc(CN[C@@]2(c3ccccc3)CC2(C)C)c1 ZINC000662341822 1120928733 /nfs/dbraw/zinc/92/87/33/1120928733.db2.gz XSIUPBJXGKLTMI-GOSISDBHSA-N 0 1 282.387 3.505 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N(C)C[C@@H]1CC1(C)C ZINC000662348219 1120929438 /nfs/dbraw/zinc/92/94/38/1120929438.db2.gz RYPMOYUJWNUUIH-QWRGUYRKSA-N 0 1 291.420 3.837 20 0 CHADMN Cc1ccc(-c2nnc([C@H](C)N3CC4CC3(C)C4)o2)cc1C ZINC000662382023 1120933105 /nfs/dbraw/zinc/93/31/05/1120933105.db2.gz CEMVHJHQSUNBRE-VNSJNIRKSA-N 0 1 297.402 3.899 20 0 CHADMN CCOc1ccc(CN2C[C@H](C)C[C@H]2c2cccnc2)o1 ZINC000893570815 1120934167 /nfs/dbraw/zinc/93/41/67/1120934167.db2.gz JBJRRFUIJDUSNV-CJNGLKHVSA-N 0 1 286.375 3.656 20 0 CHADMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000162119378 1120935677 /nfs/dbraw/zinc/93/56/77/1120935677.db2.gz UALOFSFQZNQVNM-GHMZBOCLSA-N 0 1 250.411 3.641 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2csc(C3CC3)n2)C1 ZINC000162119378 1120935681 /nfs/dbraw/zinc/93/56/81/1120935681.db2.gz UALOFSFQZNQVNM-GHMZBOCLSA-N 0 1 250.411 3.641 20 0 CHADMN Cc1ccc(CNCc2cnccc2C(F)(F)F)cc1F ZINC000663353624 1120943422 /nfs/dbraw/zinc/94/34/22/1120943422.db2.gz XUUQEYOMCSYDDZ-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN CS[C@H]1CCCC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000162585069 1120943430 /nfs/dbraw/zinc/94/34/30/1120943430.db2.gz DJIJQXHLPNFXCJ-ZDUSSCGKSA-N 0 1 282.478 3.738 20 0 CHADMN CS[C@H]1CCCCN(Cc2csc(C3CC3)n2)C1 ZINC000162585069 1120943435 /nfs/dbraw/zinc/94/34/35/1120943435.db2.gz DJIJQXHLPNFXCJ-ZDUSSCGKSA-N 0 1 282.478 3.738 20 0 CHADMN C[C@H]1CCN(Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000511970641 1120943843 /nfs/dbraw/zinc/94/38/43/1120943843.db2.gz DFHLIMIOSQHSHH-VIFPVBQESA-N 0 1 261.262 3.686 20 0 CHADMN CCn1c2ccccc2nc1CN1CCC(C2CC2)CC1 ZINC000644837305 1120954218 /nfs/dbraw/zinc/95/42/18/1120954218.db2.gz OWVXJZHOFOFAIT-UHFFFAOYSA-N 0 1 283.419 3.678 20 0 CHADMN CC[N@H+](Cc1c2ccccc2sc1C(=O)[O-])CC1CC1 ZINC000069238541 1120957606 /nfs/dbraw/zinc/95/76/06/1120957606.db2.gz YPYGXGWMXCSYHN-UHFFFAOYSA-N 0 1 289.400 3.831 20 0 CHADMN C[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(F)cc1OC(F)F ZINC000562066917 1120959364 /nfs/dbraw/zinc/95/93/64/1120959364.db2.gz YPIQQSQVBIHWGY-JUWDTYFHSA-N 0 1 295.251 3.731 20 0 CHADMN CCN(C)Cc1cccc(Br)c1Cl ZINC000662695901 1120965860 /nfs/dbraw/zinc/96/58/60/1120965860.db2.gz XFJNPTVRKVPOFP-UHFFFAOYSA-N 0 1 262.578 3.554 20 0 CHADMN CO[C@@]1(C)C[C@@H](Nc2ccnc3cc(F)ccc32)C1(C)C ZINC000467008994 1120965922 /nfs/dbraw/zinc/96/59/22/1120965922.db2.gz HRGCYUMYVQBGFU-WBVHZDCISA-N 0 1 288.366 3.989 20 0 CHADMN Cc1ccc([C@H]2CC[N@@H+](Cc3nncs3)C2(C)C)cc1 ZINC000931688075 1120967859 /nfs/dbraw/zinc/96/78/59/1120967859.db2.gz CKYKCQKWUQHOHV-CQSZACIVSA-N 0 1 287.432 3.615 20 0 CHADMN Cc1ccc([C@H]2CCN(Cc3nncs3)C2(C)C)cc1 ZINC000931688075 1120967862 /nfs/dbraw/zinc/96/78/62/1120967862.db2.gz CKYKCQKWUQHOHV-CQSZACIVSA-N 0 1 287.432 3.615 20 0 CHADMN Cc1cscc1CN[C@@H]1CCCc2cccnc21 ZINC000094877580 1120971531 /nfs/dbraw/zinc/97/15/31/1120971531.db2.gz OZOZJUOMXNIZIT-CQSZACIVSA-N 0 1 258.390 3.619 20 0 CHADMN CC[C@H](Cc1ccccc1)N(C)Cc1csc(C)n1 ZINC000128700779 1120971631 /nfs/dbraw/zinc/97/16/31/1120971631.db2.gz BIBVCBIOEVZHJW-MRXNPFEDSA-N 0 1 274.433 3.905 20 0 CHADMN Cc1cn2c(CNCc3cscc3C)c(C)nc2s1 ZINC000094877247 1120971997 /nfs/dbraw/zinc/97/19/97/1120971997.db2.gz QQBKLHWUAAWHKO-UHFFFAOYSA-N 0 1 291.445 3.672 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(C)c(O)c1 ZINC001211695761 1120978412 /nfs/dbraw/zinc/97/84/12/1120978412.db2.gz TXXZXFLYUBNJCT-UHFFFAOYSA-N 0 1 271.295 3.539 20 0 CHADMN Cc1cnn(C)c1CN[C@H](c1ccccc1Cl)C(C)C ZINC000511986878 1120981727 /nfs/dbraw/zinc/98/17/27/1120981727.db2.gz CNKGPVDZZQZQOX-INIZCTEOSA-N 0 1 291.826 3.869 20 0 CHADMN CC[C@@H](F)C(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC001342588502 1120983801 /nfs/dbraw/zinc/98/38/01/1120983801.db2.gz CIKMJXYEROUKKU-IONNQARKSA-N 0 1 284.718 3.569 20 0 CHADMN CCn1nccc1CN[C@@H]1C[C@H](C)Sc2sccc21 ZINC000663468671 1120983805 /nfs/dbraw/zinc/98/38/05/1120983805.db2.gz XFPIDSSYWIAPRZ-GXFFZTMASA-N 0 1 293.461 3.680 20 0 CHADMN CC[C@H](NCc1cnccc1C(F)(F)F)c1ccncc1 ZINC000663474596 1120987548 /nfs/dbraw/zinc/98/75/48/1120987548.db2.gz LKWABSLFWZYIQX-AWEZNQCLSA-N 0 1 295.308 3.736 20 0 CHADMN CCOC[C@H]1CCCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000093419518 1128955287 /nfs/dbraw/zinc/95/52/87/1128955287.db2.gz ZKBFPGGVEXABSL-ZDUSSCGKSA-N 0 1 285.790 3.728 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000166556240 1121003123 /nfs/dbraw/zinc/00/31/23/1121003123.db2.gz VWARTLHZUPQVHA-UTUOFQBUSA-N 0 1 252.789 3.601 20 0 CHADMN O=C(Nc1ccccc1)c1ccc(CN2CCCCC2)o1 ZINC000027979481 1121004713 /nfs/dbraw/zinc/00/47/13/1121004713.db2.gz ISJBGAYNKYWYJS-UHFFFAOYSA-N 0 1 284.359 3.518 20 0 CHADMN COCCN(Cc1cccc(C(C)C)c1)Cc1ccccn1 ZINC000660550140 1121009797 /nfs/dbraw/zinc/00/97/97/1121009797.db2.gz GEMZBCXFYYJXOB-UHFFFAOYSA-N 0 1 298.430 3.854 20 0 CHADMN O=C([O-])[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000003754765 1121010922 /nfs/dbraw/zinc/01/09/22/1121010922.db2.gz SVQIFCBJTPRJSN-GOSISDBHSA-N 0 1 295.382 3.793 20 0 CHADMN CC(C)(C)N1CC(Nc2cc(Cl)nc3sccc32)C1 ZINC001162222087 1121018616 /nfs/dbraw/zinc/01/86/16/1121018616.db2.gz ZOWUAQQASYYZSZ-UHFFFAOYSA-N 0 1 295.839 3.844 20 0 CHADMN CC1(C)C[C@@]1(NCc1cc(CO)ccc1F)c1ccccc1 ZINC000625565117 1121018558 /nfs/dbraw/zinc/01/85/58/1121018558.db2.gz MKMQXPAWOJDGBF-LJQANCHMSA-N 0 1 299.389 3.733 20 0 CHADMN CC=Nc1cc(-c2ccc(Br)c(F)c2)no1 ZINC001174778196 1121028377 /nfs/dbraw/zinc/02/83/77/1121028377.db2.gz CYULZODWSNREQG-UHFFFAOYSA-N 0 1 283.100 3.799 20 0 CHADMN CCCCN(CCOC)Cc1ccccc1Cl ZINC000058398320 1121028449 /nfs/dbraw/zinc/02/84/49/1121028449.db2.gz RBRNMOOZWIOSAT-UHFFFAOYSA-N 0 1 255.789 3.589 20 0 CHADMN CC1(C)CN(Cc2ccccn2)[C@@H]1c1ccccc1 ZINC000674009474 1121036766 /nfs/dbraw/zinc/03/67/66/1121036766.db2.gz JDPPSLBJGBEUOA-MRXNPFEDSA-N 0 1 252.361 3.665 20 0 CHADMN Cc1oc2ccccc2c1CN[C@H]1CCCn2nccc21 ZINC000657981019 1121043184 /nfs/dbraw/zinc/04/31/84/1121043184.db2.gz YQUVEZWVLMFADH-HNNXBMFYSA-N 0 1 281.359 3.562 20 0 CHADMN CCCCO[C@H]1C[C@H](NCc2csc(C)n2)C1(C)C ZINC000344002689 1121049670 /nfs/dbraw/zinc/04/96/70/1121049670.db2.gz BEQBQCJIJBWUTA-KBPBESRZSA-N 0 1 282.453 3.525 20 0 CHADMN Cc1ccc(CNC2(c3ccccc3)CCC2)nc1 ZINC000344004363 1121051063 /nfs/dbraw/zinc/05/10/63/1121051063.db2.gz XWIYIJPKZHFOKQ-UHFFFAOYSA-N 0 1 252.361 3.559 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)N1CC[C@H](C2CC2)C1 ZINC000344011068 1121053315 /nfs/dbraw/zinc/05/33/15/1121053315.db2.gz SAGUEOKHUZPAHS-JQWIXIFHSA-N 0 1 289.404 3.591 20 0 CHADMN CN(Cc1nc(-c2ccsc2)no1)C[C@@H]1CC=CCC1 ZINC000344033834 1121059931 /nfs/dbraw/zinc/05/99/31/1121059931.db2.gz FWQWFVARTFOEIN-GFCCVEGCSA-N 0 1 289.404 3.586 20 0 CHADMN OCCCN1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000344035384 1121061454 /nfs/dbraw/zinc/06/14/54/1121061454.db2.gz RZHGPYTTYKMXDP-UHFFFAOYSA-N 0 1 288.218 3.555 20 0 CHADMN CC[C@@H](CN(C)Cc1cscn1)c1ccccc1 ZINC000512084214 1121066727 /nfs/dbraw/zinc/06/67/27/1121066727.db2.gz VEHGJWBRYQSCBN-ZDUSSCGKSA-N 0 1 260.406 3.769 20 0 CHADMN CCC(CC)N(CC)Cc1noc(-c2ccsc2)n1 ZINC000344048681 1121066901 /nfs/dbraw/zinc/06/69/01/1121066901.db2.gz ZCUOZGSYHZYVRZ-UHFFFAOYSA-N 0 1 279.409 3.809 20 0 CHADMN Fc1cccc2c1SCC[C@H]2NCc1ccoc1 ZINC000134284227 1121067820 /nfs/dbraw/zinc/06/78/20/1121067820.db2.gz QLGSBEKNBIXKBQ-CYBMUJFWSA-N 0 1 263.337 3.745 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@@H]1CCCc3sccc31)CO2 ZINC000344092231 1121077871 /nfs/dbraw/zinc/07/78/71/1121077871.db2.gz BBUDHSRUUPCVAM-ZIAGYGMSSA-N 0 1 289.375 3.988 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2C[C@H](OCC(C)C)C2(C)C)cs1 ZINC000344089794 1121079708 /nfs/dbraw/zinc/07/97/08/1121079708.db2.gz BUOHZYFUQXCREH-GLQYFDAESA-N 0 1 296.480 3.942 20 0 CHADMN CC[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)C(C)C ZINC000171055566 1121087436 /nfs/dbraw/zinc/08/74/36/1121087436.db2.gz ADGFWEPVEJMCDF-UHFFFAOYSA-N 0 1 283.419 3.591 20 0 CHADMN CCN(Cc1nn(-c2ccccc2)c2c1CCC2)C(C)C ZINC000171055566 1121087444 /nfs/dbraw/zinc/08/74/44/1121087444.db2.gz ADGFWEPVEJMCDF-UHFFFAOYSA-N 0 1 283.419 3.591 20 0 CHADMN CC(C)CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000037980660 1121090587 /nfs/dbraw/zinc/09/05/87/1121090587.db2.gz FJELZIIAUGPVDK-CHWSQXEVSA-N 0 1 296.842 3.541 20 0 CHADMN Cc1n[nH]cc1CNC1c2ccccc2-c2ccccc21 ZINC000038011156 1121093678 /nfs/dbraw/zinc/09/36/78/1121093678.db2.gz PZYNAJBLGMPTCR-UHFFFAOYSA-N 0 1 275.355 3.578 20 0 CHADMN C[C@H](C(=O)Nc1cccc(Cl)c1O)C1CCCC1 ZINC000674134742 1121095306 /nfs/dbraw/zinc/09/53/06/1121095306.db2.gz RFTSPKSLUUVRDW-VIFPVBQESA-N 0 1 267.756 3.810 20 0 CHADMN Clc1cncc(Cl)c1CN1CCCCC12CC2 ZINC001137609509 1121096103 /nfs/dbraw/zinc/09/61/03/1121096103.db2.gz RFLNGBPILCKESW-UHFFFAOYSA-N 0 1 271.191 3.907 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCOc3cc(C)ccc32)o1 ZINC000631727640 1121105683 /nfs/dbraw/zinc/10/56/83/1121105683.db2.gz DISUTKIEINCSQG-MRXNPFEDSA-N 0 1 271.360 3.900 20 0 CHADMN CCc1cnc(CN[C@@H](C)c2sccc2C)s1 ZINC000224316341 1121108786 /nfs/dbraw/zinc/10/87/86/1121108786.db2.gz PPKBOMAILYXRRV-JTQLQIEISA-N 0 1 266.435 3.926 20 0 CHADMN O=C([O-])Cc1ccc(Nc2cccc3cc[nH+]cc32)cc1 ZINC001174953736 1121109570 /nfs/dbraw/zinc/10/95/70/1121109570.db2.gz LYQGNZVHISDYAH-UHFFFAOYSA-N 0 1 278.311 3.606 20 0 CHADMN C[C@@H](C(=O)Nc1ccccc1SC1CCCC1)N(C)C ZINC000674266011 1121109787 /nfs/dbraw/zinc/10/97/87/1121109787.db2.gz NDZGZNVGMHNBES-LBPRGKRZSA-N 0 1 292.448 3.610 20 0 CHADMN COc1ccc(Cl)cc1CN(C)Cc1ccc(O)cc1 ZINC000674284204 1121111783 /nfs/dbraw/zinc/11/17/83/1121111783.db2.gz NYDDYWUPIRZBNK-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN COCC(C)(C)N(C)Cc1cccc(Cl)c1Cl ZINC000429225346 1121111962 /nfs/dbraw/zinc/11/19/62/1121111962.db2.gz FIKJRBJAGDFQPA-UHFFFAOYSA-N 0 1 276.207 3.850 20 0 CHADMN CCCCN(C(=O)[C@H](C)N(C)C)[C@@H](CC)c1ccccc1 ZINC000674289080 1121113019 /nfs/dbraw/zinc/11/30/19/1121113019.db2.gz ZTBQFUYSZOKWAN-RDJZCZTQSA-N 0 1 290.451 3.717 20 0 CHADMN C[C@H](c1ccncc1)N1CCSC2(CCCCC2)C1 ZINC000674306797 1121115155 /nfs/dbraw/zinc/11/51/55/1121115155.db2.gz NJUQXBUDXQVTMS-CQSZACIVSA-N 0 1 276.449 3.894 20 0 CHADMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2nc3cccnc3s2)C1 ZINC000344208046 1121119274 /nfs/dbraw/zinc/11/92/74/1121119274.db2.gz JCQIGELRFMVZNF-LLVKDONJSA-N 0 1 275.421 3.559 20 0 CHADMN CC(C)(C)[C@H]1CC[N@@H+](Cc2nc3cccnc3s2)C1 ZINC000344208048 1121119366 /nfs/dbraw/zinc/11/93/66/1121119366.db2.gz JCQIGELRFMVZNF-NSHDSACASA-N 0 1 275.421 3.559 20 0 CHADMN C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC2(CCC2)C1 ZINC000344213005 1121120711 /nfs/dbraw/zinc/12/07/11/1121120711.db2.gz GOYSBBMEKAICSJ-GFCCVEGCSA-N 0 1 292.810 3.543 20 0 CHADMN Cc1cc(CNCc2ccc(-c3ccc(F)cc3C)o2)[nH]n1 ZINC000606470696 1121126970 /nfs/dbraw/zinc/12/69/70/1121126970.db2.gz NZDXHAWSQKRTMT-UHFFFAOYSA-N 0 1 299.349 3.715 20 0 CHADMN O=C(Cc1ccccc1Cl)Nc1cccc(Cl)c1O ZINC000172110071 1121139717 /nfs/dbraw/zinc/13/97/17/1121139717.db2.gz LCPZLEJAAYSYRT-UHFFFAOYSA-N 0 1 296.153 3.880 20 0 CHADMN CCc1ccc(C)[nH+]c1Nc1cc(C(=O)[O-])ccc1C ZINC001174982057 1121140443 /nfs/dbraw/zinc/14/04/43/1121140443.db2.gz RZAVKHXXQKUDOV-UHFFFAOYSA-N 0 1 270.332 3.703 20 0 CHADMN C[C@H]([N@@H+](C)Cc1ccn(-c2cccc(F)c2)n1)C1(C)CC1 ZINC000674505941 1121141963 /nfs/dbraw/zinc/14/19/63/1121141963.db2.gz BUOPVEFGUNFQHO-ZDUSSCGKSA-N 0 1 287.382 3.632 20 0 CHADMN C[C@H](N(C)Cc1ccn(-c2cccc(F)c2)n1)C1(C)CC1 ZINC000674505941 1121141965 /nfs/dbraw/zinc/14/19/65/1121141965.db2.gz BUOPVEFGUNFQHO-ZDUSSCGKSA-N 0 1 287.382 3.632 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H](C(C)(C)C)CC2)oc1C(=O)[O-] ZINC000079349713 1121144851 /nfs/dbraw/zinc/14/48/51/1121144851.db2.gz KHXBVCIFCAKTNR-ZDUSSCGKSA-N 0 1 293.407 3.934 20 0 CHADMN Cc1nc(C)c([C@@H](C)NCc2cccc(F)c2F)s1 ZINC000040518646 1121145472 /nfs/dbraw/zinc/14/54/72/1121145472.db2.gz MHDNBJITHDVWRS-MRVPVSSYSA-N 0 1 282.359 3.889 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cccc2c1CCC2 ZINC000172357472 1121147745 /nfs/dbraw/zinc/14/77/45/1121147745.db2.gz SXCLSJWFLKBFQZ-UHFFFAOYSA-N 0 1 287.746 3.787 20 0 CHADMN COc1cccc(C)c1CNCc1ccc(C)cc1OC ZINC000638759383 1121148357 /nfs/dbraw/zinc/14/83/57/1121148357.db2.gz IMCQKEMCAKCYAT-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN CCc1cc(CN2CCCC[C@H]2c2ccccc2)on1 ZINC001203211651 1121154218 /nfs/dbraw/zinc/15/42/18/1121154218.db2.gz GBVXIRLZCGWLDO-KRWDZBQOSA-N 0 1 270.376 3.964 20 0 CHADMN COc1cc2ccnc(N3CCC4(CCC4)C3)c2cc1OC ZINC000663713751 1121156832 /nfs/dbraw/zinc/15/68/32/1121156832.db2.gz YLQKMEUCBTZUEL-UHFFFAOYSA-N 0 1 298.386 3.632 20 0 CHADMN CCOc1cc(Nc2ccc3nccn3c2)ccc1F ZINC001175051331 1121161388 /nfs/dbraw/zinc/16/13/88/1121161388.db2.gz ZEONXZFGXJNLAT-UHFFFAOYSA-N 0 1 271.295 3.616 20 0 CHADMN C/C=C\C[C@@H]1CCCN(Cc2cncc(Cl)c2)C1 ZINC001175053026 1121162280 /nfs/dbraw/zinc/16/22/80/1121162280.db2.gz LCXYJPQZAZPGPM-XQJDBVBESA-N 0 1 264.800 3.913 20 0 CHADMN C/C=C/C[C@@H]1CCCN([C@@H](C(=O)OC)c2ccccc2)C1 ZINC001175056324 1121163695 /nfs/dbraw/zinc/16/36/95/1121163695.db2.gz ZGDRIXAWOPQYEU-GILVVUIESA-N 0 1 287.403 3.579 20 0 CHADMN CCCN(Cn1cc(-c2ccc(C)cc2)cn1)C1CC1 ZINC000728902851 1121167932 /nfs/dbraw/zinc/16/79/32/1121167932.db2.gz PYRUBJQVEARJJG-UHFFFAOYSA-N 0 1 269.392 3.690 20 0 CHADMN Fc1ccc(CN2CC[C@@H](c3ccco3)C2)c(F)c1 ZINC000674694369 1121169854 /nfs/dbraw/zinc/16/98/54/1121169854.db2.gz QNVUIAJWYKYNHM-GFCCVEGCSA-N 0 1 263.287 3.547 20 0 CHADMN Cc1ccc(C[N@H+](CC(C)C)C(C)C)cc1C(=O)[O-] ZINC000701828999 1121170423 /nfs/dbraw/zinc/17/04/23/1121170423.db2.gz LLTJPFINXWFPPU-UHFFFAOYSA-N 0 1 263.381 3.560 20 0 CHADMN Cc1cc(Nc2c(F)cc(O)cc2F)c2ccccc2n1 ZINC001175094670 1121184218 /nfs/dbraw/zinc/18/42/18/1121184218.db2.gz LJWSYWAERWCWII-UHFFFAOYSA-N 0 1 286.281 3.693 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1ccc(C)nc1 ZINC000062050982 1121186261 /nfs/dbraw/zinc/18/62/61/1121186261.db2.gz SZAPDUWNPCWVBW-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN CCOc1ccc(C)cc1-n1c(N)nc2ccc(C)cc21 ZINC001175122790 1121192116 /nfs/dbraw/zinc/19/21/16/1121192116.db2.gz LDMMFBGXWFOKIR-UHFFFAOYSA-N 0 1 281.359 3.623 20 0 CHADMN CC[C@H](CC1CCCC1)C(=O)N1CCN(CC)C[C@@H]1CC ZINC001128872947 1121192715 /nfs/dbraw/zinc/19/27/15/1121192715.db2.gz WLKNUFVKSOKWRR-SJORKVTESA-N 0 1 294.483 3.536 20 0 CHADMN C[C@@H]1CN(CCCOC(C)(C)C)C[C@H](c2ccccc2)O1 ZINC000674905196 1121194223 /nfs/dbraw/zinc/19/42/23/1121194223.db2.gz LIJFLNQTPRKFKC-NVXWUHKLSA-N 0 1 291.435 3.654 20 0 CHADMN C[C@@H]1CCCCCN1Cc1nc(-c2ccccc2)no1 ZINC000512201264 1121194807 /nfs/dbraw/zinc/19/48/07/1121194807.db2.gz XKMYGXYGPVJWTK-CYBMUJFWSA-N 0 1 271.364 3.501 20 0 CHADMN C[C@H]1CO[C@@H](c2ccccc2)CN1CCCOC(C)(C)C ZINC000674906628 1121195560 /nfs/dbraw/zinc/19/55/60/1121195560.db2.gz IIYNFVYSWQNWCG-DOTOQJQBSA-N 0 1 291.435 3.654 20 0 CHADMN CCCCCOc1cc(C)ccc1CNCc1cn[nH]c1 ZINC000674911618 1121197020 /nfs/dbraw/zinc/19/70/20/1121197020.db2.gz IRYIANUOYAZWDS-UHFFFAOYSA-N 0 1 287.407 3.577 20 0 CHADMN CCCCc1oc2ccccc2c1CNCc1cnn(C)c1 ZINC000064641856 1121202190 /nfs/dbraw/zinc/20/21/90/1121202190.db2.gz YVKAENXDSDODLZ-UHFFFAOYSA-N 0 1 297.402 3.799 20 0 CHADMN CCO[C@H]1C[C@@H](N(C)Cc2conc2C)C12CCCCC2 ZINC000351660027 1121205299 /nfs/dbraw/zinc/20/52/99/1121205299.db2.gz WXGDDEZVUPIGES-CVEARBPZSA-N 0 1 292.423 3.543 20 0 CHADMN Cc1cc(F)cc2c1CN(Cc1ccc3c[nH]nc3c1)CC2 ZINC000337404777 1121207571 /nfs/dbraw/zinc/20/75/71/1121207571.db2.gz MTGZAGZSKUAHBI-UHFFFAOYSA-N 0 1 295.361 3.569 20 0 CHADMN Cc1cc(C)cc(CN2CCO[C@@H](c3cccs3)C2)c1 ZINC000512224187 1121209405 /nfs/dbraw/zinc/20/94/05/1121209405.db2.gz AHFOXCOAVNOUAC-MRXNPFEDSA-N 0 1 287.428 3.938 20 0 CHADMN Cc1cc(C)cc(CN2CCO[C@H](c3cccs3)C2)c1 ZINC000512224186 1121209513 /nfs/dbraw/zinc/20/95/13/1121209513.db2.gz AHFOXCOAVNOUAC-INIZCTEOSA-N 0 1 287.428 3.938 20 0 CHADMN COc1ccccc1CNCc1cccc(C2CC2)c1 ZINC000094517626 1121209557 /nfs/dbraw/zinc/20/95/57/1121209557.db2.gz ODAIHYBFMBMXTL-UHFFFAOYSA-N 0 1 267.372 3.862 20 0 CHADMN C[C@H](NCc1cc(Cl)cc(Cl)c1)c1cn[nH]c1 ZINC000229881472 1121210628 /nfs/dbraw/zinc/21/06/28/1121210628.db2.gz ARIJZOBZTVRVGZ-QMMMGPOBSA-N 0 1 270.163 3.567 20 0 CHADMN CN(CCC(C)(C)C)CC(=O)Nc1ccccc1Cl ZINC000675057233 1121212506 /nfs/dbraw/zinc/21/25/06/1121212506.db2.gz VFVBYKDWKPLRCV-UHFFFAOYSA-N 0 1 282.815 3.647 20 0 CHADMN Cc1cccc(CN[C@H]2COc3c2cccc3Cl)c1 ZINC000675102894 1121216282 /nfs/dbraw/zinc/21/62/82/1121216282.db2.gz ADFXVORPVLLLQQ-HNNXBMFYSA-N 0 1 273.763 3.872 20 0 CHADMN Cc1ccc(CN[C@H]2COc3c2cccc3Cl)s1 ZINC000675104095 1121217053 /nfs/dbraw/zinc/21/70/53/1121217053.db2.gz OEQIWEOGQPCWMG-ZDUSSCGKSA-N 0 1 279.792 3.933 20 0 CHADMN C[C@@]1(O)CCCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000230377254 1121220974 /nfs/dbraw/zinc/22/09/74/1121220974.db2.gz XXZVZDNHPJRSEM-CQSZACIVSA-N 0 1 288.218 3.730 20 0 CHADMN Cc1cc([C@H](C)NCc2cncc(F)c2)c(C)s1 ZINC000230938508 1121228876 /nfs/dbraw/zinc/22/88/76/1121228876.db2.gz FBPUDVRBUQWSFQ-JTQLQIEISA-N 0 1 264.369 3.750 20 0 CHADMN C[C@@]1(CCN[C@H](c2ncc[nH]2)c2ccccc2)CC1(F)F ZINC000658222288 1121232465 /nfs/dbraw/zinc/23/24/65/1121232465.db2.gz QMUNGPATPPCVDG-DZGCQCFKSA-N 0 1 291.345 3.524 20 0 CHADMN Cc1ncn(-c2ccc(OCc3ccccc3)cc2C)c1N ZINC001175231517 1121234422 /nfs/dbraw/zinc/23/44/22/1121234422.db2.gz XVOSCZWJNAVWDZ-UHFFFAOYSA-N 0 1 293.370 3.650 20 0 CHADMN CCOc1ccc(-n2c(N)nc3ccc(C)cc32)c(C)c1 ZINC001175242912 1121241719 /nfs/dbraw/zinc/24/17/19/1121241719.db2.gz QEYYWZSXEXAWAX-UHFFFAOYSA-N 0 1 281.359 3.623 20 0 CHADMN C[C@H](c1ccccc1)N(CC(=O)Nc1ccccc1)C1CC1 ZINC000512279795 1121245629 /nfs/dbraw/zinc/24/56/29/1121245629.db2.gz UKCWFOIFFWNCDA-OAHLLOKOSA-N 0 1 294.398 3.851 20 0 CHADMN C[C@@H](c1ccccc1)N(CC(=O)Nc1ccccc1)C1CC1 ZINC000512279794 1121245717 /nfs/dbraw/zinc/24/57/17/1121245717.db2.gz UKCWFOIFFWNCDA-HNNXBMFYSA-N 0 1 294.398 3.851 20 0 CHADMN CCCCCOc1ccc(Nc2ccnc(CO)c2)cc1 ZINC001175293888 1121259258 /nfs/dbraw/zinc/25/92/58/1121259258.db2.gz KCPZVYLOTMMGIX-UHFFFAOYSA-N 0 1 286.375 3.887 20 0 CHADMN CC(C)Cc1ccc(Nc2ccnc(CO)c2)cc1 ZINC001175295187 1121259330 /nfs/dbraw/zinc/25/93/30/1121259330.db2.gz VMIVDAGUYYKLSY-UHFFFAOYSA-N 0 1 256.349 3.516 20 0 CHADMN CCCCCOc1ccc(Nc2cncn2C)cc1 ZINC001175294368 1121259779 /nfs/dbraw/zinc/25/97/79/1121259779.db2.gz RGQVBSNENAHGNK-UHFFFAOYSA-N 0 1 259.353 3.733 20 0 CHADMN CC1(C)CCCN(Cc2cc(-c3ccco3)on2)C1 ZINC000112701951 1121261812 /nfs/dbraw/zinc/26/18/12/1121261812.db2.gz AVCOBEXHIQCWAC-UHFFFAOYSA-N 0 1 260.337 3.557 20 0 CHADMN CC[C@H](NCc1c(C2CCC2)cnn1C)c1ccsc1 ZINC000658266454 1121265015 /nfs/dbraw/zinc/26/50/15/1121265015.db2.gz IMXWVEUVNLYDIK-HNNXBMFYSA-N 0 1 289.448 3.990 20 0 CHADMN C[C@H](NCCc1ccns1)c1c(F)cccc1Cl ZINC000709790021 1121281917 /nfs/dbraw/zinc/28/19/17/1121281917.db2.gz GGLOGUXZVBEJTQ-VIFPVBQESA-N 0 1 284.787 3.829 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCOC[C@@H](C2CCC2)C1 ZINC000429250334 1121286281 /nfs/dbraw/zinc/28/62/81/1121286281.db2.gz AKWWPJFJAQTFLQ-JSGCOSHPSA-N 0 1 295.373 3.774 20 0 CHADMN CCC(CC)(CC)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000675433002 1121289482 /nfs/dbraw/zinc/28/94/82/1121289482.db2.gz ATDIRLCPKIVXJX-CYBMUJFWSA-N 0 1 296.480 3.683 20 0 CHADMN CCC(CC)(CC)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000675441242 1121294592 /nfs/dbraw/zinc/29/45/92/1121294592.db2.gz SMRDMTVGBGEJLM-AWEZNQCLSA-N 0 1 296.480 3.683 20 0 CHADMN Brc1ccc([C@H]2CC[N@H+]2CC2CC2)cc1 ZINC000662100909 1121295259 /nfs/dbraw/zinc/29/52/59/1121295259.db2.gz PRGXDROEMSLKOA-CYBMUJFWSA-N 0 1 266.182 3.606 20 0 CHADMN Brc1ccc([C@H]2CCN2CC2CC2)cc1 ZINC000662100909 1121295264 /nfs/dbraw/zinc/29/52/64/1121295264.db2.gz PRGXDROEMSLKOA-CYBMUJFWSA-N 0 1 266.182 3.606 20 0 CHADMN CC[C@H]1C[C@]1(NCc1ccccn1)c1cccc(C)c1 ZINC000500530065 1121297720 /nfs/dbraw/zinc/29/77/20/1121297720.db2.gz JWPSYGADERZPNV-MAUKXSAKSA-N 0 1 266.388 3.805 20 0 CHADMN CC[C@@H](C)N(C)Cc1csc(Nc2ccccc2)n1 ZINC000432732453 1121300166 /nfs/dbraw/zinc/30/01/66/1121300166.db2.gz XKGODQCIWYIBHD-GFCCVEGCSA-N 0 1 275.421 3.539 20 0 CHADMN CC[C@H](C)N(C)Cc1csc(Nc2ccccc2)n1 ZINC000432732454 1121300679 /nfs/dbraw/zinc/30/06/79/1121300679.db2.gz XKGODQCIWYIBHD-LBPRGKRZSA-N 0 1 275.421 3.539 20 0 CHADMN CC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000021962292 1121304367 /nfs/dbraw/zinc/30/43/67/1121304367.db2.gz LHZZQSTVCLRJGZ-HNNXBMFYSA-N 0 1 297.402 3.790 20 0 CHADMN CC1(C)CCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000432743014 1121310377 /nfs/dbraw/zinc/31/03/77/1121310377.db2.gz RYKQJTUVYSUTLY-UHFFFAOYSA-N 0 1 263.328 3.999 20 0 CHADMN CC(C)N(Cc1ccc(F)c(Cl)c1Cl)C[C@@H](C)O ZINC000432745296 1121312872 /nfs/dbraw/zinc/31/28/72/1121312872.db2.gz SGEPEDXITVNGES-SECBINFHSA-N 0 1 294.197 3.724 20 0 CHADMN CC[C@@H](NCc1scnc1C1CC1)c1c(C)noc1C ZINC000562328833 1121315897 /nfs/dbraw/zinc/31/58/97/1121315897.db2.gz BWRFVXUCSZXDHO-GFCCVEGCSA-N 0 1 291.420 3.866 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1ccc(C(F)(F)F)s1 ZINC000432752687 1121317420 /nfs/dbraw/zinc/31/74/20/1121317420.db2.gz OBCUSFUVSIKRLY-DTWKUNHWSA-N 0 1 263.328 3.997 20 0 CHADMN Cc1cc([C@H](C)NCc2cc3ccccc3[nH]c2=O)c(C)o1 ZINC000124891423 1121326841 /nfs/dbraw/zinc/32/68/41/1121326841.db2.gz ITRMPFBRMGRDBH-LBPRGKRZSA-N 0 1 296.370 3.589 20 0 CHADMN CCCCO[C@@H]1C[C@@H](N(C)Cc2cncs2)C1(C)C ZINC000093898471 1128978164 /nfs/dbraw/zinc/97/81/64/1128978164.db2.gz OLZNXZRIAPYECO-ZIAGYGMSSA-N 0 1 282.453 3.559 20 0 CHADMN COc1cccc(CN2CCCO[C@H](C(C)C)C2)c1Cl ZINC000660646583 1121337044 /nfs/dbraw/zinc/33/70/44/1121337044.db2.gz IYRDWEGTDZJHIE-HNNXBMFYSA-N 0 1 297.826 3.596 20 0 CHADMN Cc1occc1CN[C@@H](CC(C)C)c1ccccn1 ZINC000675779706 1121355371 /nfs/dbraw/zinc/35/53/71/1121355371.db2.gz OZLJETGRCWADEO-INIZCTEOSA-N 0 1 258.365 3.860 20 0 CHADMN CO[C@@H](C)c1nc(CN(CCC2CC2)CC2CC2)cs1 ZINC000662178806 1121355852 /nfs/dbraw/zinc/35/58/52/1121355852.db2.gz HJODNXATLZWXCM-LBPRGKRZSA-N 0 1 294.464 3.863 20 0 CHADMN Cc1occc1CN[C@@H]1CCCOc2ccc(C)cc21 ZINC000675779885 1121356032 /nfs/dbraw/zinc/35/60/32/1121356032.db2.gz QVHVLKZSSIJVCU-MRXNPFEDSA-N 0 1 271.360 3.900 20 0 CHADMN C[C@@H](NCc1ccc2cccnc2c1)c1ccoc1 ZINC000675765303 1121357132 /nfs/dbraw/zinc/35/71/32/1121357132.db2.gz BDANMXBWAVIEFT-GFCCVEGCSA-N 0 1 252.317 3.679 20 0 CHADMN Cc1occc1CN[C@@H](C)c1cc(F)cc(F)c1 ZINC000675779895 1121357376 /nfs/dbraw/zinc/35/73/76/1121357376.db2.gz RAOBKPBGQBZBCT-VIFPVBQESA-N 0 1 251.276 3.717 20 0 CHADMN CCCc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000675768493 1121358067 /nfs/dbraw/zinc/35/80/67/1121358067.db2.gz YVZWEGJFGZFKQF-INIZCTEOSA-N 0 1 269.392 3.529 20 0 CHADMN C[C@@H](N[C@H]1CSCc2ccccc21)c1cncc(F)c1 ZINC000675782564 1121359792 /nfs/dbraw/zinc/35/97/92/1121359792.db2.gz JGMOQFRIYNRGCE-BZNIZROVSA-N 0 1 288.391 3.859 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cc3ccccc3[nH]1)CCO2 ZINC000675789646 1121362379 /nfs/dbraw/zinc/36/23/79/1121362379.db2.gz FTGYIFNKTACCMX-KRWDZBQOSA-N 0 1 296.345 3.920 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cncc(C2CC2)c1 ZINC001175522969 1121362471 /nfs/dbraw/zinc/36/24/71/1121362471.db2.gz CHBJXIVMEWUVJE-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ncccc1C1CC1 ZINC001175523376 1121362865 /nfs/dbraw/zinc/36/28/65/1121362865.db2.gz ISFDTCHXQNQYTH-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN COc1nc(Cl)ccc1Nc1c2cn[nH]c2ccc1C ZINC001175524258 1121363204 /nfs/dbraw/zinc/36/32/04/1121363204.db2.gz QRUYOLFMLBBSJV-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN c1csc([C@H](NC2CCSCC2)c2ccccc2)n1 ZINC000236760816 1121364292 /nfs/dbraw/zinc/36/42/92/1121364292.db2.gz VWIJSIWJXQZNRD-CQSZACIVSA-N 0 1 290.457 3.718 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@@H]1CCCc2ccccc21 ZINC000675808901 1121364637 /nfs/dbraw/zinc/36/46/37/1121364637.db2.gz UYBYNKMNMBFPMI-GOSISDBHSA-N 0 1 296.414 3.874 20 0 CHADMN COc1cc(Cl)ncc1Nc1c2cn[nH]c2ccc1C ZINC001175524910 1121364993 /nfs/dbraw/zinc/36/49/93/1121364993.db2.gz WWUIEBODHDUEEJ-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN COc1ccc(Nc2c3cn[nH]c3ccc2C)c(F)c1 ZINC001175525332 1121365009 /nfs/dbraw/zinc/36/50/09/1121365009.db2.gz BQOHIZXSXMYFPF-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN COC(=O)c1cc(F)ccc1Nc1c2cn[nH]c2ccc1C ZINC001175525847 1121365371 /nfs/dbraw/zinc/36/53/71/1121365371.db2.gz IHRGYNJLMZFERD-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN FC(F)(F)Cc1ccc(CNCc2ccoc2)cc1 ZINC000631050210 1128980703 /nfs/dbraw/zinc/98/07/03/1128980703.db2.gz VQOCUWLUQQFIIL-UHFFFAOYSA-N 0 1 269.266 3.674 20 0 CHADMN CCc1ccc(Nc2c3cn[nH]c3ccc2C)c(O)c1 ZINC001175525831 1121366768 /nfs/dbraw/zinc/36/67/68/1121366768.db2.gz HNBCBCCXYUODTN-UHFFFAOYSA-N 0 1 267.332 3.883 20 0 CHADMN COc1cccc(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175525361 1121366910 /nfs/dbraw/zinc/36/69/10/1121366910.db2.gz CMBKDWDFDDHIEB-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1cncs1)c1ccccn1 ZINC000675815935 1121367051 /nfs/dbraw/zinc/36/70/51/1121367051.db2.gz HJZVRBJLVGTUGA-WCQYABFASA-N 0 1 261.394 3.730 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(-n2ccnc2)cc1 ZINC001175526243 1121367605 /nfs/dbraw/zinc/36/76/05/1121367605.db2.gz PKAXUNQXNWGQBM-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN COc1cccc(Nc2c3cn[nH]c3ccc2C)c1C ZINC001175526836 1121368732 /nfs/dbraw/zinc/36/87/32/1121368732.db2.gz WVKOCKUSGYGNQV-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(N)cc1Cl ZINC001175526885 1121369367 /nfs/dbraw/zinc/36/93/67/1121369367.db2.gz ZDULEQHJXYCAAO-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2ocnc21 ZINC001175526851 1121369482 /nfs/dbraw/zinc/36/94/82/1121369482.db2.gz XINBTKJOZYFVKB-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1c(F)cccc1F ZINC001175526629 1121369522 /nfs/dbraw/zinc/36/95/22/1121369522.db2.gz WEDWQLUORYXJAM-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2ccc(=O)[nH]c21 ZINC001175527748 1121371397 /nfs/dbraw/zinc/37/13/97/1121371397.db2.gz TYOUNYVRARBPQJ-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1noc([C@H](C)N2CCC[C@H](C3CCCCC3)C2)n1 ZINC000662201580 1121373151 /nfs/dbraw/zinc/37/31/51/1121373151.db2.gz NHBREHQFELWWSX-WFASDCNBSA-N 0 1 277.412 3.731 20 0 CHADMN CSc1cccc(N[C@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000675859122 1121374384 /nfs/dbraw/zinc/37/43/84/1121374384.db2.gz HFSSNOXGKFSFQJ-HNNXBMFYSA-N 0 1 296.399 3.728 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc3cc(C)c(C)cc3o2)n[nH]1 ZINC000675892154 1121375491 /nfs/dbraw/zinc/37/54/91/1121375491.db2.gz KIBQGKLZJXVUHI-CYBMUJFWSA-N 0 1 283.375 3.932 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc3cc(C)c(C)cc3o2)[nH]n1 ZINC000675892154 1121375503 /nfs/dbraw/zinc/37/55/03/1121375503.db2.gz KIBQGKLZJXVUHI-CYBMUJFWSA-N 0 1 283.375 3.932 20 0 CHADMN O=c1cc(NC=Cc2ccc(Cl)cc2)nc(Cl)[nH]1 ZINC001175593607 1121376662 /nfs/dbraw/zinc/37/66/62/1121376662.db2.gz HIPORPWLXADDHP-AATRIKPKSA-N 0 1 282.130 3.572 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@H](C)c1ccc2c(c1)COC2 ZINC000675894987 1121377503 /nfs/dbraw/zinc/37/75/03/1121377503.db2.gz ITDJIGYKOQZIDS-GHMZBOCLSA-N 0 1 286.375 3.733 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@@H](C)c1c(C)noc1C ZINC000675896106 1121378713 /nfs/dbraw/zinc/37/87/13/1121378713.db2.gz QTWRUPAHWVXHLY-BONVTDFDSA-N 0 1 286.375 3.638 20 0 CHADMN Cc1cccc(Cl)c1CN1CCS[C@H](C)C1 ZINC001175601740 1121382560 /nfs/dbraw/zinc/38/25/60/1121382560.db2.gz SAHJKKXHZWZEFK-LLVKDONJSA-N 0 1 255.814 3.586 20 0 CHADMN CC(C)N(Cc1n[nH]c(C(C)(C)C)n1)c1ccc(F)cc1 ZINC000432820752 1121386528 /nfs/dbraw/zinc/38/65/28/1121386528.db2.gz JPKMXMGHFLJNPE-UHFFFAOYSA-N 0 1 290.386 3.656 20 0 CHADMN C[C@H](NC[C@@](C)(O)C(F)F)c1cc(Cl)ccc1Cl ZINC000704981003 1121387851 /nfs/dbraw/zinc/38/78/51/1121387851.db2.gz UBFUICGENHIBOL-JVXZTZIISA-N 0 1 298.160 3.660 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000509536276 1121388126 /nfs/dbraw/zinc/38/81/26/1121388126.db2.gz BAPDITAEEIDBAX-LBPRGKRZSA-N 0 1 297.826 3.979 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)C[N@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429587965 1121389713 /nfs/dbraw/zinc/38/97/13/1121389713.db2.gz FWMYUPFDEHQGFI-JSGCOSHPSA-N 0 1 284.403 3.779 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN(C)[C@H]1CC[C@H](C)C1 ZINC000429587965 1121389725 /nfs/dbraw/zinc/38/97/25/1121389725.db2.gz FWMYUPFDEHQGFI-JSGCOSHPSA-N 0 1 284.403 3.779 20 0 CHADMN CN1CCC=C(Nc2cc(C3CCC3)nn2C(C)(C)C)C1 ZINC001175574067 1121394241 /nfs/dbraw/zinc/39/42/41/1121394241.db2.gz LOZHCYLPIQRLKF-UHFFFAOYSA-N 0 1 288.439 3.537 20 0 CHADMN CN1CCC=C(Nc2cc(Cl)cc3cccnc32)C1 ZINC001175578255 1121395257 /nfs/dbraw/zinc/39/52/57/1121395257.db2.gz JLMUXOQTFJOZLD-UHFFFAOYSA-N 0 1 273.767 3.520 20 0 CHADMN CN1CCC=C(Nc2ccccc2Oc2cccnc2)C1 ZINC001175576693 1121397350 /nfs/dbraw/zinc/39/73/50/1121397350.db2.gz PTAFCKFNTAQYBI-UHFFFAOYSA-N 0 1 281.359 3.505 20 0 CHADMN C[N@@H+](CCOC(C)(C)C)CCSc1ccc(F)cc1 ZINC000676053085 1121398037 /nfs/dbraw/zinc/39/80/37/1121398037.db2.gz XHMRCVWCAPIGCD-UHFFFAOYSA-N 0 1 285.428 3.665 20 0 CHADMN Cc1cc(F)c(Br)cc1NC1=CCCN(C)C1 ZINC001175580773 1121398860 /nfs/dbraw/zinc/39/88/60/1121398860.db2.gz SOUUDLBOBHRILQ-UHFFFAOYSA-N 0 1 299.187 3.528 20 0 CHADMN CCc1noc(CN2CCC[C@H]2CCC2CCCCC2)n1 ZINC000676041627 1121399439 /nfs/dbraw/zinc/39/94/39/1121399439.db2.gz JSPOFLHSZVGMQX-HNNXBMFYSA-N 0 1 291.439 3.957 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(SC(C)C)cc1 ZINC001175623308 1121399482 /nfs/dbraw/zinc/39/94/82/1121399482.db2.gz HLUAUMSHMXHQJL-UHFFFAOYSA-N 0 1 261.394 3.973 20 0 CHADMN CN(CCOC(C)(C)C)Cc1cc(-c2ccccc2)no1 ZINC000676042523 1121400224 /nfs/dbraw/zinc/40/02/24/1121400224.db2.gz KKVVNMLOJZIQGS-UHFFFAOYSA-N 0 1 288.391 3.589 20 0 CHADMN COc1cncc(CN[C@@H](c2ncccc2C)C(C)C)c1C ZINC000631073584 1128983221 /nfs/dbraw/zinc/98/32/21/1128983221.db2.gz MUGJXNUSAQVUQT-QGZVFWFLSA-N 0 1 299.418 3.589 20 0 CHADMN COc1cncc(CN[C@H](C)c2ccc(F)c(C)c2)c1C ZINC000631086831 1128983926 /nfs/dbraw/zinc/98/39/26/1128983926.db2.gz YNLLYIVJYHGHBK-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4c(c3)COC4)cc21 ZINC001175698673 1121416401 /nfs/dbraw/zinc/41/64/01/1121416401.db2.gz AGFUUPBHCGVDBU-UHFFFAOYSA-N 0 1 265.316 3.645 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(OC(C)C)nc3)cc21 ZINC001175699212 1121416839 /nfs/dbraw/zinc/41/68/39/1121416839.db2.gz MNWJQNXOZIQCCR-UHFFFAOYSA-N 0 1 282.347 3.797 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4nn(C)cc43)cc12 ZINC001175699748 1121418024 /nfs/dbraw/zinc/41/80/24/1121418024.db2.gz CYOUZXANZWIOSI-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN CC(=O)c1ccc(Nc2ccc3n[nH]c(C)c3c2)c(F)c1 ZINC001175700590 1121418069 /nfs/dbraw/zinc/41/80/69/1121418069.db2.gz PFVBYDGLXVSZPO-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN CC(=O)c1ccc(Nc2ccc3n[nH]c(C)c3c2)cc1O ZINC001175700563 1121418115 /nfs/dbraw/zinc/41/81/15/1121418115.db2.gz OMNFKPQZWYTZQI-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4c(c3)CCO4)cc21 ZINC001175699721 1121418402 /nfs/dbraw/zinc/41/84/02/1121418402.db2.gz CGHWLCHWONOGHQ-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(F)cc(C)c3O)cc12 ZINC001175700761 1121419654 /nfs/dbraw/zinc/41/96/54/1121419654.db2.gz WKHASEUWFLHYLL-UHFFFAOYSA-N 0 1 271.295 3.768 20 0 CHADMN COc1ccc(Nc2ccc3c(C)[nH]nc3c2)c(Cl)n1 ZINC001175656291 1121421862 /nfs/dbraw/zinc/42/18/62/1121421862.db2.gz DUIINAGLMMZHCE-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Fc1cc(Cl)cc(NCc2[nH]nc3ccccc32)c1 ZINC000676317384 1121422554 /nfs/dbraw/zinc/42/25/54/1121422554.db2.gz HCYWBTPYBYVFBP-UHFFFAOYSA-N 0 1 275.714 3.968 20 0 CHADMN COc1c(C)ccc(NCc2ccc3nc[nH]c3c2)c1C ZINC000676316198 1121422980 /nfs/dbraw/zinc/42/29/80/1121422980.db2.gz WFMMODZJBIEWLD-UHFFFAOYSA-N 0 1 281.359 3.800 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(Cl)cn3)ccc12 ZINC001175657886 1121423178 /nfs/dbraw/zinc/42/31/78/1121423178.db2.gz PWEGJSSKIHAYEE-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN COc1c(F)cccc1CN(C)[C@H]1CCc2ccccc21 ZINC001143534792 1121423903 /nfs/dbraw/zinc/42/39/03/1121423903.db2.gz YTSPWDAIJVOBEJ-KRWDZBQOSA-N 0 1 285.362 3.954 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccnc3OC(F)F)ccc12 ZINC001175660813 1121424178 /nfs/dbraw/zinc/42/41/78/1121424178.db2.gz VVTSDAIFHSCOIV-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc(Cl)n3)ccc12 ZINC001175659620 1121424210 /nfs/dbraw/zinc/42/42/10/1121424210.db2.gz NULNXHFMTSUNJU-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN CN(Cc1cn[nH]c1)Cc1ccc(C2CCCC2)cc1 ZINC000676323079 1121424503 /nfs/dbraw/zinc/42/45/03/1121424503.db2.gz PHMDAZVHCSTYCY-UHFFFAOYSA-N 0 1 269.392 3.699 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(C)nc(Cl)c3)ccc12 ZINC001175659558 1121424924 /nfs/dbraw/zinc/42/49/24/1121424924.db2.gz FOARJTHBWCVYIT-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc([C@@H](C)O)cc3)ccc12 ZINC001175662492 1121426138 /nfs/dbraw/zinc/42/61/38/1121426138.db2.gz OSWNYWYPWKICIA-LLVKDONJSA-N 0 1 267.332 3.668 20 0 CHADMN COc1cccc(C)c1Nc1ccc2c(c1)n[nH]c2C ZINC001175661833 1121426237 /nfs/dbraw/zinc/42/62/37/1121426237.db2.gz VCNWLSUBNMWUET-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc(-n4cccn4)c3)ccc12 ZINC001175662468 1121426475 /nfs/dbraw/zinc/42/64/75/1121426475.db2.gz NNHUKGVOOYFAKU-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN C[C@@H]1CCC[N@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001143538068 1121427118 /nfs/dbraw/zinc/42/71/18/1121427118.db2.gz HRDFYLFKBIUNEI-SECBINFHSA-N 0 1 277.261 3.709 20 0 CHADMN COc1cc(F)c(F)cc1Nc1ccc2c(C)[nH]nc2c1 ZINC001175663220 1121427142 /nfs/dbraw/zinc/42/71/42/1121427142.db2.gz VJJPZWLJTHCDGS-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN CCc1ccc(Nc2ccc3c(C)[nH]nc3c2)c(O)c1 ZINC001175663054 1121427587 /nfs/dbraw/zinc/42/75/87/1121427587.db2.gz QTAGPPJMCLPIDY-UHFFFAOYSA-N 0 1 267.332 3.883 20 0 CHADMN Cc1cc2c(cccc2N)n1-c1ccc2c(C)[nH]nc2c1 ZINC001175665784 1121427933 /nfs/dbraw/zinc/42/79/33/1121427933.db2.gz RFKUCVQJIIWTDY-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN Cc1[nH]nc2cc(Nc3c(N)ccc(F)c3C)ccc12 ZINC001175665370 1121428211 /nfs/dbraw/zinc/42/82/11/1121428211.db2.gz LIQCLWWAKTYIGP-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(C)c(N)cc3C)ccc12 ZINC001175663251 1121428271 /nfs/dbraw/zinc/42/82/71/1121428271.db2.gz WDVMSHOBABTGCX-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc(Cl)c3CO)cc12 ZINC001175702988 1121429062 /nfs/dbraw/zinc/42/90/62/1121429062.db2.gz VXWAXNMNOCECSO-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN CCc1ccc(N)c(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175703134 1121429218 /nfs/dbraw/zinc/42/92/18/1121429218.db2.gz XEHMCNTYDHVJBX-UHFFFAOYSA-N 0 1 266.348 3.760 20 0 CHADMN COc1cc(C)cc(CNCc2ccc(C(F)F)nc2)c1 ZINC000631098616 1128984694 /nfs/dbraw/zinc/98/46/94/1128984694.db2.gz CYBIFPBHFYHCKT-UHFFFAOYSA-N 0 1 292.329 3.626 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(C)cc(O)c3)cc12 ZINC001175702994 1121429338 /nfs/dbraw/zinc/42/93/38/1121429338.db2.gz WGZNREOLBDPGBS-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cl/C=C(/Cl)CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000763564455 1128984912 /nfs/dbraw/zinc/98/49/12/1128984912.db2.gz LDGWJHUQBVZZEJ-RZABIFLQSA-N 0 1 266.237 3.665 20 0 CHADMN Cc1ccn2c(CN(C)Cc3cc(C)ccc3C)cnc2c1 ZINC000432884439 1121434809 /nfs/dbraw/zinc/43/48/09/1121434809.db2.gz ODUMWZKJCFXYJT-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN CCN(Cc1ccc(OC)o1)Cc1c[nH]c2ccccc12 ZINC000893907101 1121438215 /nfs/dbraw/zinc/43/82/15/1121438215.db2.gz HDIATUUSBNUILN-UHFFFAOYSA-N 0 1 284.359 3.792 20 0 CHADMN CCCC[C@@H](COC)N[C@@H](C)c1nc(C)sc1C ZINC000676489040 1121438284 /nfs/dbraw/zinc/43/82/84/1121438284.db2.gz GWYXIYHAIZXHQZ-GWCFXTLKSA-N 0 1 270.442 3.616 20 0 CHADMN CCc1cnc(CCN[C@H](C)c2nc(C)sc2C)s1 ZINC000676492600 1121438298 /nfs/dbraw/zinc/43/82/98/1121438298.db2.gz NSQKXUGEJVRJFS-SECBINFHSA-N 0 1 295.477 3.672 20 0 CHADMN c1nn2cc(N=C3CCCCC3)cnc2c1C1CCC1 ZINC001175752243 1121439121 /nfs/dbraw/zinc/43/91/21/1121439121.db2.gz RNDYNZFIRFDZIS-UHFFFAOYSA-N 0 1 268.364 3.867 20 0 CHADMN C[C@@H](N[C@@H]1c2ccccc2CCC1(C)C)c1cn(C)cn1 ZINC000925926537 1121441736 /nfs/dbraw/zinc/44/17/36/1121441736.db2.gz SSKNJHLDGNHMIZ-CXAGYDPISA-N 0 1 283.419 3.784 20 0 CHADMN CCC(CC)n1ccc(CN(C)CCC(C)C)n1 ZINC000676557049 1121443880 /nfs/dbraw/zinc/44/38/80/1121443880.db2.gz FFULEKNOKWKMEM-UHFFFAOYSA-N 0 1 251.418 3.722 20 0 CHADMN CC[C@@H](C)CN1CCc2c3cc(OC)ccc3[nH]c2C1 ZINC001175741437 1121444960 /nfs/dbraw/zinc/44/49/60/1121444960.db2.gz LCVNIWLMNWXBQJ-GFCCVEGCSA-N 0 1 272.392 3.581 20 0 CHADMN CCCOc1ccc(CNCc2ccc(OC)o2)c(C)c1 ZINC000893959216 1121446718 /nfs/dbraw/zinc/44/67/18/1121446718.db2.gz IJHFKBIKRLGYFL-UHFFFAOYSA-N 0 1 289.375 3.675 20 0 CHADMN CCN(Cc1ccoc1)Cc1cccc2c1NCCC2 ZINC000893992005 1121449476 /nfs/dbraw/zinc/44/94/76/1121449476.db2.gz GEINRGFCHMREPP-UHFFFAOYSA-N 0 1 270.376 3.660 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2cccc3c2NCCC3)on1 ZINC000893994878 1121449568 /nfs/dbraw/zinc/44/95/68/1121449568.db2.gz LJILOVXCQJIXGD-MRXNPFEDSA-N 0 1 297.402 3.678 20 0 CHADMN CN(Cc1ncccn1)CC1CCC(c2ccccc2)CC1 ZINC001175707499 1121450189 /nfs/dbraw/zinc/45/01/89/1121450189.db2.gz NKHUPYVOFFADLO-UHFFFAOYSA-N 0 1 295.430 3.882 20 0 CHADMN Fc1nccc(N=C2CCCCC2)c1Br ZINC001175753071 1121452190 /nfs/dbraw/zinc/45/21/90/1121452190.db2.gz PUHCZFYZIWLCLA-UHFFFAOYSA-N 0 1 271.133 3.853 20 0 CHADMN COCCN(Cc1nc(C(C)(C)C)co1)[C@H]1CC[C@H](C)C1 ZINC000894001057 1121453820 /nfs/dbraw/zinc/45/38/20/1121453820.db2.gz NIANXLGAEYMALH-KBPBESRZSA-N 0 1 294.439 3.609 20 0 CHADMN O=C(Nc1ccc2ncccc2c1)c1ccc(Cl)cc1O ZINC000048189717 1121455866 /nfs/dbraw/zinc/45/58/66/1121455866.db2.gz ULYTUIQMTLJIKD-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN Cc1cc(CN[C@H]2CCc3ccc(C(C)C)cc32)on1 ZINC000631114929 1128985949 /nfs/dbraw/zinc/98/59/49/1128985949.db2.gz DVOGAKFCGWKYHV-KRWDZBQOSA-N 0 1 270.376 3.884 20 0 CHADMN C[C@H](COc1ccccc1)NCc1csc(C2CC2)n1 ZINC000708200787 1121463315 /nfs/dbraw/zinc/46/33/15/1121463315.db2.gz TXEDFYBZMADRAG-GFCCVEGCSA-N 0 1 288.416 3.578 20 0 CHADMN Clc1cnc(CN2CC[C@H](C3CCCCC3)C2)cn1 ZINC000708828551 1121466227 /nfs/dbraw/zinc/46/62/27/1121466227.db2.gz ZGRZCENPLQRMME-ZDUSSCGKSA-N 0 1 279.815 3.532 20 0 CHADMN COc1cc(F)c(C(C)C)cc1-n1c(N)nc2ccccc21 ZINC001175829886 1121467931 /nfs/dbraw/zinc/46/79/31/1121467931.db2.gz TVXANHIBUGGKLD-UHFFFAOYSA-N 0 1 299.349 3.879 20 0 CHADMN CCc1ccc([C@H](C)NCc2cc(CO)ccc2F)cc1 ZINC000625293803 1121468247 /nfs/dbraw/zinc/46/82/47/1121468247.db2.gz CLNSNSITIDHFQF-ZDUSSCGKSA-N 0 1 287.378 3.731 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2ccc(C)cc2F)n[nH]1 ZINC000631119840 1128986311 /nfs/dbraw/zinc/98/63/11/1128986311.db2.gz DNTZWYZTCYSRGN-RYUDHWBXSA-N 0 1 290.386 3.617 20 0 CHADMN c1cc(CNCc2ccc(C3CC3)cc2)n(CC2CCC2)n1 ZINC000631121628 1128986361 /nfs/dbraw/zinc/98/63/61/1128986361.db2.gz RSSMGDFSDWGXOH-UHFFFAOYSA-N 0 1 295.430 3.850 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000385251188 1128986482 /nfs/dbraw/zinc/98/64/82/1128986482.db2.gz NTSISLZCZFNLFH-JKIFEVAISA-N 0 1 289.419 3.914 20 0 CHADMN C[C@@H](C(=O)NC(C1CCCCC1)C1CCCCC1)N(C)C ZINC001175836974 1121471070 /nfs/dbraw/zinc/47/10/70/1121471070.db2.gz FODUFSDOIPZDPZ-AWEZNQCLSA-N 0 1 294.483 3.582 20 0 CHADMN CCOC1(C)CCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC000428728933 1121473671 /nfs/dbraw/zinc/47/36/71/1121473671.db2.gz GKBBOSUHGMRLKE-UHFFFAOYSA-N 0 1 285.790 3.870 20 0 CHADMN FC(F)(F)c1cnc(CN[C@@H]2CCCC23CC3)s1 ZINC000631191283 1128990458 /nfs/dbraw/zinc/99/04/58/1128990458.db2.gz FTOFZUBKUGAEFT-MRVPVSSYSA-N 0 1 276.327 3.584 20 0 CHADMN Cc1ccc2nc(N)n(-c3cnn(C4CCCCC4)c3)c2c1 ZINC001175880221 1121476682 /nfs/dbraw/zinc/47/66/82/1121476682.db2.gz YDJYKQIQEGJSTA-UHFFFAOYSA-N 0 1 295.390 3.618 20 0 CHADMN Cn1cncc1Nc1ccc2[nH]c3ccccc3c2c1 ZINC001175855394 1121481882 /nfs/dbraw/zinc/48/18/82/1121481882.db2.gz JIQQVEBBZVRAHT-UHFFFAOYSA-N 0 1 262.316 3.798 20 0 CHADMN C[C@@H](NCc1ccc(C(F)F)nc1)c1ccsc1 ZINC000631127505 1128987183 /nfs/dbraw/zinc/98/71/83/1128987183.db2.gz GIJMWDFOHHWSKF-SECBINFHSA-N 0 1 268.332 3.932 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2n[nH]c(C(C)(C)C)n2)c1 ZINC000432930468 1121484692 /nfs/dbraw/zinc/48/46/92/1121484692.db2.gz YAGUIXWPUJUVLH-OAHLLOKOSA-N 0 1 298.434 3.748 20 0 CHADMN O=C(Nc1nc2ccc(F)cc2[nH]1)[C@@H]1CCCC2(CC2)C1 ZINC000614131889 1121486060 /nfs/dbraw/zinc/48/60/60/1121486060.db2.gz FIVBFNRMPFEBIX-SNVBAGLBSA-N 0 1 287.338 3.611 20 0 CHADMN CC(C)(C)c1nnc(CN2CCC[C@@H]2C2CCCCC2)[nH]1 ZINC000432934122 1121486163 /nfs/dbraw/zinc/48/61/63/1121486163.db2.gz YHOWNKGCYLAPHM-CQSZACIVSA-N 0 1 290.455 3.647 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(F)c(F)c(F)c2)[C@H]1C ZINC000512586789 1121486170 /nfs/dbraw/zinc/48/61/70/1121486170.db2.gz LKZYSSYVXSFLNJ-ZJUUUORDSA-N 0 1 257.299 3.724 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C)c(Cl)c1OC ZINC000512609705 1121494493 /nfs/dbraw/zinc/49/44/93/1121494493.db2.gz PIMGRTGCNUZYIK-NWDGAFQWSA-N 0 1 297.826 3.978 20 0 CHADMN COc1ccc(CN2CCC[C@H](C)[C@H]2C)c(Cl)c1OC ZINC000512609705 1121494498 /nfs/dbraw/zinc/49/44/98/1121494498.db2.gz PIMGRTGCNUZYIK-NWDGAFQWSA-N 0 1 297.826 3.978 20 0 CHADMN CCc1onc(C)c1CNCc1cc(C)cc(Cl)c1 ZINC000922982911 1121502606 /nfs/dbraw/zinc/50/26/06/1121502606.db2.gz GPASAQFOEBOSHU-UHFFFAOYSA-N 0 1 278.783 3.797 20 0 CHADMN CCc1onc(C)c1CNCc1ccccc1C1CC1 ZINC000922983833 1121503163 /nfs/dbraw/zinc/50/31/63/1121503163.db2.gz SGHYWYMCJPLOAM-UHFFFAOYSA-N 0 1 270.376 3.713 20 0 CHADMN CCc1onc(C)c1CNCc1coc2ccccc12 ZINC000922983217 1121503832 /nfs/dbraw/zinc/50/38/32/1121503832.db2.gz LEIUSFXOWXBMML-UHFFFAOYSA-N 0 1 270.332 3.581 20 0 CHADMN CCc1onc(C)c1CNCc1cc(C)sc1C ZINC000922982357 1121505356 /nfs/dbraw/zinc/50/53/56/1121505356.db2.gz BYLSIOWIJXNGHN-UHFFFAOYSA-N 0 1 264.394 3.514 20 0 CHADMN COc1cccc(Cl)c1CN1CCC[C@@H](CSC)C1 ZINC000429281046 1121505632 /nfs/dbraw/zinc/50/56/32/1121505632.db2.gz AOKRWUVUNYGIAF-GFCCVEGCSA-N 0 1 299.867 3.924 20 0 CHADMN Cc1ccc([C@H](NCc2ccc(N(C)C)nc2)C2CCC2)o1 ZINC000543600058 1121507171 /nfs/dbraw/zinc/50/71/71/1121507171.db2.gz AGVVYDZRISTBAL-GOSISDBHSA-N 0 1 299.418 3.680 20 0 CHADMN C[C@@H](F)CCN(C)Cc1cc(Br)ccc1F ZINC000509276676 1121507449 /nfs/dbraw/zinc/50/74/49/1121507449.db2.gz LVORIRUIGCPVSM-SECBINFHSA-N 0 1 292.167 3.768 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccccc1C1CC1 ZINC000316688909 1121510562 /nfs/dbraw/zinc/51/05/62/1121510562.db2.gz GGBXDUSJGUVXBR-JLSDUUJJSA-N 0 1 299.414 3.782 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2ncccc2C(F)(F)F)C1 ZINC000429288712 1121511292 /nfs/dbraw/zinc/51/12/92/1121511292.db2.gz BAKOQGFTHIJKMN-GFCCVEGCSA-N 0 1 286.341 3.968 20 0 CHADMN CCOc1ccc2ccccc2c1Nc1nccn1C ZINC001175978658 1121512680 /nfs/dbraw/zinc/51/26/80/1121512680.db2.gz RANLSWMWDVYHOI-UHFFFAOYSA-N 0 1 267.332 3.716 20 0 CHADMN COc1cc(C)ccc1CN[C@]1(C)CCOc2ccccc21 ZINC000923024543 1121513756 /nfs/dbraw/zinc/51/37/56/1121513756.db2.gz IQCLOWBFLCCEKR-LJQANCHMSA-N 0 1 297.398 3.791 20 0 CHADMN Cc1cc(CN[C@]2(C)CCOc3ccccc32)cs1 ZINC000923025413 1121513820 /nfs/dbraw/zinc/51/38/20/1121513820.db2.gz PDMYQENUNQKSKB-MRXNPFEDSA-N 0 1 273.401 3.844 20 0 CHADMN Cc1c(Cl)cccc1N1N=C2CCCCC[C@@H]2C1=O ZINC000614189001 1121513995 /nfs/dbraw/zinc/51/39/95/1121513995.db2.gz IMXISIVCXOAEMX-NSHDSACASA-N 0 1 276.767 3.931 20 0 CHADMN Cc1c(Cl)cccc1-n1[nH]c2c(c1=O)CCCCC2 ZINC000614189001 1121513999 /nfs/dbraw/zinc/51/39/99/1121513999.db2.gz IMXISIVCXOAEMX-NSHDSACASA-N 0 1 276.767 3.931 20 0 CHADMN C[C@]1(NCc2ccc(F)cc2)CCOc2ccccc21 ZINC000923025221 1121514378 /nfs/dbraw/zinc/51/43/78/1121514378.db2.gz JZWSTGCLBAVTJV-KRWDZBQOSA-N 0 1 271.335 3.613 20 0 CHADMN CCOc1cccc(CN[C@@]2(C)CCOc3ccccc32)c1 ZINC000923027146 1121515718 /nfs/dbraw/zinc/51/57/18/1121515718.db2.gz ZVAPMMVAAHKOIY-IBGZPJMESA-N 0 1 297.398 3.873 20 0 CHADMN OCC[C@@H](NCc1ccsc1)c1ccc(Cl)c(F)c1 ZINC000631191800 1128990790 /nfs/dbraw/zinc/99/07/90/1128990790.db2.gz QEMSGPMPBFSGBA-CQSZACIVSA-N 0 1 299.798 3.754 20 0 CHADMN Clc1cc2cnccc2c(Nc2ccc3nn[nH]c3c2)c1 ZINC001176002995 1121519339 /nfs/dbraw/zinc/51/93/39/1121519339.db2.gz LEVFDBDUSSZSJG-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1cc2cnccc2c(Nc2ccc3n[nH]nc3c2)c1 ZINC001176002995 1121519346 /nfs/dbraw/zinc/51/93/46/1121519346.db2.gz LEVFDBDUSSZSJG-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Oc1cc(Cl)c(Nc2ccc3nn[nH]c3c2)cc1Cl ZINC001176002646 1121519605 /nfs/dbraw/zinc/51/96/05/1121519605.db2.gz PMFWOGINMLJALE-UHFFFAOYSA-N 0 1 295.129 3.714 20 0 CHADMN FC(F)(F)Oc1cccc(Nc2ccc3nn[nH]c3c2)c1 ZINC001176005819 1121521024 /nfs/dbraw/zinc/52/10/24/1121521024.db2.gz KNUITHZDGMRSSA-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN FC(F)(F)Oc1cccc(Nc2ccc3n[nH]nc3c2)c1 ZINC001176005819 1121521028 /nfs/dbraw/zinc/52/10/28/1121521028.db2.gz KNUITHZDGMRSSA-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN Cc1ccnc(C(C)C)c1Nc1ccc2nn[nH]c2c1 ZINC001176005159 1121521137 /nfs/dbraw/zinc/52/11/37/1121521137.db2.gz CLBIMEMEFVKGEW-UHFFFAOYSA-N 0 1 267.336 3.528 20 0 CHADMN Cc1ccnc(C(C)C)c1Nc1ccc2n[nH]nc2c1 ZINC001176005159 1121521145 /nfs/dbraw/zinc/52/11/45/1121521145.db2.gz CLBIMEMEFVKGEW-UHFFFAOYSA-N 0 1 267.336 3.528 20 0 CHADMN CCCc1nc2ccc(Nc3ccc4nn[nH]c4c3)cc2o1 ZINC001176002907 1121521344 /nfs/dbraw/zinc/52/13/44/1121521344.db2.gz XZSJZXQETSXHFB-UHFFFAOYSA-N 0 1 293.330 3.795 20 0 CHADMN CCCc1nc2ccc(Nc3ccc4n[nH]nc4c3)cc2o1 ZINC001176002907 1121521349 /nfs/dbraw/zinc/52/13/49/1121521349.db2.gz XZSJZXQETSXHFB-UHFFFAOYSA-N 0 1 293.330 3.795 20 0 CHADMN Cc1ccc(Nc2ccc3nn[nH]c3c2)c(Cl)c1 ZINC001176005553 1121521508 /nfs/dbraw/zinc/52/15/08/1121521508.db2.gz IFVHMVAHAIJQOJ-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1ccc(Nc2ccc3n[nH]nc3c2)c(Cl)c1 ZINC001176005553 1121521513 /nfs/dbraw/zinc/52/15/13/1121521513.db2.gz IFVHMVAHAIJQOJ-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1c(F)ccc(Nc2ccc3nn[nH]c3c2)c1Cl ZINC001176003115 1121521850 /nfs/dbraw/zinc/52/18/50/1121521850.db2.gz MSJHZWCPLBJLEV-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1c(F)ccc(Nc2ccc3n[nH]nc3c2)c1Cl ZINC001176003115 1121521855 /nfs/dbraw/zinc/52/18/55/1121521855.db2.gz MSJHZWCPLBJLEV-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Oc1c(Nc2ccc3nn[nH]c3c2)ccc(Cl)c1Cl ZINC001176003778 1121522558 /nfs/dbraw/zinc/52/25/58/1121522558.db2.gz IIFYBHXGGWADTQ-UHFFFAOYSA-N 0 1 295.129 3.714 20 0 CHADMN Cc1cc(C)c(Nc2ccc3nn[nH]c3c2)c(C)c1 ZINC001176003982 1121522768 /nfs/dbraw/zinc/52/27/68/1121522768.db2.gz LLGQUANEYHAXJH-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN Cc1cc(C)c(Nc2ccc3n[nH]nc3c2)c(C)c1 ZINC001176003982 1121522777 /nfs/dbraw/zinc/52/27/77/1121522777.db2.gz LLGQUANEYHAXJH-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN c1cc(C2CCC2)ccc1CN1CCO[C@@H](C2CC2)C1 ZINC000512687747 1121528830 /nfs/dbraw/zinc/52/88/30/1121528830.db2.gz WTIKPNNYBRLYBJ-GOSISDBHSA-N 0 1 271.404 3.565 20 0 CHADMN COc1ccc(CN2CCc3cccc(C)c3C2)cc1OC ZINC000433041953 1121530265 /nfs/dbraw/zinc/53/02/65/1121530265.db2.gz WNYRDZBTHOYBQZ-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H]2CCC3(CCC3)O2)c(C)s1 ZINC000711428259 1121530489 /nfs/dbraw/zinc/53/04/89/1121530489.db2.gz VWWXUDPSMBBJTO-ZWNOBZJWSA-N 0 1 280.437 3.512 20 0 CHADMN CC[C@](C)(NCc1cccc(OC)n1)c1ccc(F)cc1 ZINC000631195428 1128991637 /nfs/dbraw/zinc/99/16/37/1128991637.db2.gz XNEJPVZUVXEVGY-KRWDZBQOSA-N 0 1 288.366 3.644 20 0 CHADMN Cc1scc(CNCc2cc3cnccc3o2)c1C ZINC000631205519 1128991945 /nfs/dbraw/zinc/99/19/45/1128991945.db2.gz BJWHETLACRLXLS-UHFFFAOYSA-N 0 1 272.373 3.796 20 0 CHADMN Cc1nc(C2(NC[C@@H](C)C3CCCCC3)CCCC2)no1 ZINC000645089619 1121542013 /nfs/dbraw/zinc/54/20/13/1121542013.db2.gz CPEGUKINSQVTHD-CYBMUJFWSA-N 0 1 291.439 3.953 20 0 CHADMN COc1ccccc1/C=C\CN(C)Cc1ccc(C)o1 ZINC000254949715 1128992897 /nfs/dbraw/zinc/99/28/97/1128992897.db2.gz FDOOUOZTGAIVTK-VURMDHGXSA-N 0 1 271.360 3.742 20 0 CHADMN c1nc(CN2CCC[C@H](c3ccccc3)C2)oc1C1CC1 ZINC000433074014 1121550187 /nfs/dbraw/zinc/55/01/87/1121550187.db2.gz HNRXBEASSBDPLW-INIZCTEOSA-N 0 1 282.387 3.932 20 0 CHADMN Cc1coc(Nc2c(F)ccc3ccc(C)nc32)n1 ZINC001176114415 1121555042 /nfs/dbraw/zinc/55/50/42/1121555042.db2.gz UMXVSOJYXPWVAA-UHFFFAOYSA-N 0 1 257.268 3.722 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2nnc(C)[nH]2)CC[C@H]1c1ccccc1 ZINC000411297547 1121559758 /nfs/dbraw/zinc/55/97/58/1121559758.db2.gz IGXSLJBKTMDNBF-FRFSOERESA-N 0 1 298.434 3.690 20 0 CHADMN C/C=C/C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000625971585 1121562694 /nfs/dbraw/zinc/56/26/94/1121562694.db2.gz JWYZAZQTMTXAJB-HSWBROFVSA-N 0 1 273.376 3.563 20 0 CHADMN Cc1ncc([C@@H](C)NCc2scnc2C2CC2)s1 ZINC000631229190 1128993832 /nfs/dbraw/zinc/99/38/32/1128993832.db2.gz UGALYXOTNJYWMH-MRVPVSSYSA-N 0 1 279.434 3.636 20 0 CHADMN CC[C@@H](C)CN(C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000509392923 1121567761 /nfs/dbraw/zinc/56/77/61/1121567761.db2.gz MUWZPKLVAJGCMT-NEPJUHHUSA-N 0 1 266.454 3.746 20 0 CHADMN CCc1onc(C)c1CN[C@@H]1c2ccccc2NC1(C)C ZINC000923427434 1121569492 /nfs/dbraw/zinc/56/94/92/1121569492.db2.gz SPHKRVSGXTVAFA-MRXNPFEDSA-N 0 1 285.391 3.580 20 0 CHADMN CC(C)c1cccc(CN2CCC[C@@H]2c2ccc(=O)[nH]n2)c1 ZINC000625994202 1121569790 /nfs/dbraw/zinc/56/97/90/1121569790.db2.gz CSCLUBPZSSBBSO-QGZVFWFLSA-N 0 1 297.402 3.643 20 0 CHADMN CC(C)(C)c1ccc(OCCCSc2cn[nH]n2)cc1 ZINC000466726127 1121572240 /nfs/dbraw/zinc/57/22/40/1121572240.db2.gz FCJPTSYIUPEFLR-UHFFFAOYSA-N 0 1 291.420 3.663 20 0 CHADMN Cc1ccc(CNCc2cc3c(cccc3C)[nH]2)o1 ZINC000631242872 1128994342 /nfs/dbraw/zinc/99/43/42/1128994342.db2.gz OUSYBHBXPIKSIX-UHFFFAOYSA-N 0 1 254.333 3.668 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)N1CCO[C@@H](CCF)C1 ZINC000626002837 1121572716 /nfs/dbraw/zinc/57/27/16/1121572716.db2.gz VPJFHSFPSPMQQV-KSSFIOAISA-N 0 1 287.378 3.961 20 0 CHADMN C[C@H](CCSc1ccccc1)N1CCO[C@@H](CCF)C1 ZINC000626004439 1121573664 /nfs/dbraw/zinc/57/36/64/1121573664.db2.gz HVPPYQDWOZOCSK-CABCVRRESA-N 0 1 297.439 3.618 20 0 CHADMN COCCN1CCC[C@H]1c1ccc(Br)cc1C ZINC000626009628 1121575981 /nfs/dbraw/zinc/57/59/81/1121575981.db2.gz NMBSUKSCDJRVSV-AWEZNQCLSA-N 0 1 298.224 3.541 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(C(C)C)c2)C1 ZINC000923469117 1121576657 /nfs/dbraw/zinc/57/66/57/1121576657.db2.gz HJKWRYFPYKQCMX-SFHVURJKSA-N 0 1 289.419 3.887 20 0 CHADMN COc1cccc2c1CN(CCCCOc1ccccc1)C2 ZINC000626021469 1121581005 /nfs/dbraw/zinc/58/10/05/1121581005.db2.gz BSVLMHQERXBVEY-UHFFFAOYSA-N 0 1 297.398 3.870 20 0 CHADMN Cc1ccc(-c2noc(CN3CCC4(CCC4)CC3)n2)cc1 ZINC000671729218 1121583694 /nfs/dbraw/zinc/58/36/94/1121583694.db2.gz JMPNRIOGAYOUJK-UHFFFAOYSA-N 0 1 297.402 3.811 20 0 CHADMN CC(C)C[C@H]1CCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000466743547 1121595100 /nfs/dbraw/zinc/59/51/00/1121595100.db2.gz OMJGLVJPRCKAAX-CQSZACIVSA-N 0 1 285.391 3.605 20 0 CHADMN Cc1ccc(CNCc2cccc(OC(F)(F)F)c2)o1 ZINC000220721901 1121604366 /nfs/dbraw/zinc/60/43/66/1121604366.db2.gz JMYSNCYYIXQGHR-UHFFFAOYSA-N 0 1 285.265 3.776 20 0 CHADMN c1csc([C@@H]2CN([C@H]3CCc4ccccc43)CCO2)c1 ZINC000682068436 1121607938 /nfs/dbraw/zinc/60/79/38/1121607938.db2.gz ABVZLGYUAPTDES-HOTGVXAUSA-N 0 1 285.412 3.809 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)N[C@H](C)c2ccoc2)c1 ZINC000094867726 1128997460 /nfs/dbraw/zinc/99/74/60/1128997460.db2.gz NFOKQXGGWAQSOS-NWDGAFQWSA-N 0 1 272.348 3.650 20 0 CHADMN COc1cccc([C@H](C)NCc2scnc2C2CC2)c1 ZINC000486951703 1121616470 /nfs/dbraw/zinc/61/64/70/1121616470.db2.gz UFHPFWJHAJUMQV-NSHDSACASA-N 0 1 288.416 3.880 20 0 CHADMN CN1Cc2ccc(NCc3scnc3C3CC3)cc2C1 ZINC000487313932 1121618984 /nfs/dbraw/zinc/61/89/84/1121618984.db2.gz UWAXVVLYELOSTO-UHFFFAOYSA-N 0 1 285.416 3.578 20 0 CHADMN c1nc(C2CC2)c(CN[C@H](c2cccnc2)C2CC2)s1 ZINC000487575596 1121619646 /nfs/dbraw/zinc/61/96/46/1121619646.db2.gz QVLCPJVYOVSGMV-HNNXBMFYSA-N 0 1 285.416 3.656 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1scnc1C1CC1 ZINC000487558126 1121620726 /nfs/dbraw/zinc/62/07/26/1121620726.db2.gz ISATVMNUKGOAPC-NSHDSACASA-N 0 1 287.432 3.829 20 0 CHADMN Nc1cncn1/C=C/c1ccc(-c2ccccc2)cc1 ZINC001176407820 1121625619 /nfs/dbraw/zinc/62/56/19/1121625619.db2.gz GASYQGODDHXFFZ-ZHACJKMWSA-N 0 1 261.328 3.760 20 0 CHADMN Cc1ccc(CC=Nc2ncc(C(F)(F)F)cn2)cc1 ZINC001176423870 1121631744 /nfs/dbraw/zinc/63/17/44/1121631744.db2.gz HZQHPSUVLSUUCQ-VOTSOKGWSA-N 0 1 279.265 3.887 20 0 CHADMN CCc1cccc(NC(=O)[C@H]2CCCc3[nH]ncc32)c1CC ZINC000489519602 1121636702 /nfs/dbraw/zinc/63/67/02/1121636702.db2.gz HLEHMGMWAFRULQ-AWEZNQCLSA-N 0 1 297.402 3.593 20 0 CHADMN Cc1nc([C@@H](C)NCCSCC(F)(F)F)c(C)s1 ZINC000611337591 1121638878 /nfs/dbraw/zinc/63/88/78/1121638878.db2.gz RAXFGFDWTGTIPS-SSDOTTSWSA-N 0 1 298.399 3.706 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2NCC2CCC2)C[C@H](C)O1 ZINC000152713144 1128999537 /nfs/dbraw/zinc/99/95/37/1128999537.db2.gz UNPLVABAQSBKLR-GASCZTMLSA-N 0 1 288.435 3.508 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)Nc2cc(C)cc(F)c2)c1 ZINC000433315526 1121643914 /nfs/dbraw/zinc/64/39/14/1121643914.db2.gz FMDBDSBIVAHOFS-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN CC(C)c1nnc(CN(C)[C@@H]2CCC[C@@H]2C(C)(C)C)o1 ZINC000419326020 1121656624 /nfs/dbraw/zinc/65/66/24/1121656624.db2.gz LNWHBZHWPNRIQV-QWHCGFSZSA-N 0 1 279.428 3.840 20 0 CHADMN CC(C)c1nnc(CN(C)[C@@H]2CCC[C@H]2C(C)(C)C)o1 ZINC000419326018 1121656633 /nfs/dbraw/zinc/65/66/33/1121656633.db2.gz LNWHBZHWPNRIQV-CHWSQXEVSA-N 0 1 279.428 3.840 20 0 CHADMN Cc1cc(-c2nnc(CN(C)[C@H](C)C3(C)CC3)o2)c(C)o1 ZINC000162226539 1121662746 /nfs/dbraw/zinc/66/27/46/1121662746.db2.gz IJLUBNGNYHSQPR-GFCCVEGCSA-N 0 1 289.379 3.567 20 0 CHADMN Clc1cc(Nc2nnco2)cc(Cl)c1Cl ZINC001176627599 1121665611 /nfs/dbraw/zinc/66/56/11/1121665611.db2.gz YHVPRQSFALZGOM-UHFFFAOYSA-N 0 1 264.499 3.773 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(OC(C)(C)C)cc1 ZINC001176638048 1121666253 /nfs/dbraw/zinc/66/62/53/1121666253.db2.gz JONNRGFPSMFCTC-UHFFFAOYSA-N 0 1 259.353 3.649 20 0 CHADMN Clc1ccccc1-c1ccc(C[N@H+]2CCCOCC2)o1 ZINC000510517684 1121668987 /nfs/dbraw/zinc/66/89/87/1121668987.db2.gz KZSTXUXMOCBANM-UHFFFAOYSA-N 0 1 291.778 3.822 20 0 CHADMN Clc1ccccc1-c1ccc(CN2CCCOCC2)o1 ZINC000510517684 1121668988 /nfs/dbraw/zinc/66/89/88/1121668988.db2.gz KZSTXUXMOCBANM-UHFFFAOYSA-N 0 1 291.778 3.822 20 0 CHADMN FC(F)COCC[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000188684692 1121671562 /nfs/dbraw/zinc/67/15/62/1121671562.db2.gz ZGOPOTXGAAIDIP-UHFFFAOYSA-N 0 1 295.329 3.564 20 0 CHADMN FC(F)COCCN(Cc1ccco1)Cc1ccccc1 ZINC000188684692 1121671567 /nfs/dbraw/zinc/67/15/67/1121671567.db2.gz ZGOPOTXGAAIDIP-UHFFFAOYSA-N 0 1 295.329 3.564 20 0 CHADMN CCCc1noc(CN2CCC[C@@H]2CCc2ccccc2)n1 ZINC000052105830 1121674260 /nfs/dbraw/zinc/67/42/60/1121674260.db2.gz NRCOQULAAJAIIX-MRXNPFEDSA-N 0 1 299.418 3.619 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)C[C@@H]1CCCCO1 ZINC000052074741 1121674744 /nfs/dbraw/zinc/67/47/44/1121674744.db2.gz AUWYIGKJSLEYNU-YPMHNXCESA-N 0 1 269.335 3.527 20 0 CHADMN CO[C@H](CN[C@@H](c1ccco1)c1ccccc1)C(C)C ZINC000273399729 1121674772 /nfs/dbraw/zinc/67/47/72/1121674772.db2.gz UJUIWILMNVMNDP-IAGOWNOFSA-N 0 1 273.376 3.630 20 0 CHADMN CCn1cc(CN[C@H]2CCCc3ccc(F)cc32)c(C)n1 ZINC000894161801 1121677993 /nfs/dbraw/zinc/67/79/93/1121677993.db2.gz KCFLEBSPBWCDAP-KRWDZBQOSA-N 0 1 287.382 3.518 20 0 CHADMN [O-]c1c(F)cc(F)c(Nc2cc[nH+]c(C3CC3)c2)c1F ZINC001176663380 1121679139 /nfs/dbraw/zinc/67/91/39/1121679139.db2.gz HRKLFENRYGGVSF-UHFFFAOYSA-N 0 1 280.249 3.826 20 0 CHADMN CCOc1ccc(CN[C@H]2CCCc3ccc(F)cc32)o1 ZINC000894162256 1121679578 /nfs/dbraw/zinc/67/95/78/1121679578.db2.gz OOKPUVCZKCRYGC-INIZCTEOSA-N 0 1 289.350 3.985 20 0 CHADMN Cc1[nH+]ccn1-c1ccc(Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001176712159 1121689530 /nfs/dbraw/zinc/68/95/30/1121689530.db2.gz DBIPFWVJDOEVAK-UHFFFAOYSA-N 0 1 293.326 3.623 20 0 CHADMN Clc1cccc(Cl)c1CNCCc1ccns1 ZINC000709967393 1121692126 /nfs/dbraw/zinc/69/21/26/1121692126.db2.gz NJXYWAKNWPIXMC-UHFFFAOYSA-N 0 1 287.215 3.782 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1N[C@@H]1CCCOC1 ZINC000516590801 1121695110 /nfs/dbraw/zinc/69/51/10/1121695110.db2.gz WQYDGSARJBEGOA-MRXNPFEDSA-N 0 1 288.435 3.966 20 0 CHADMN C[C@H]1CSCCCN1Cc1ccc(F)c(Cl)c1 ZINC001176827186 1121695908 /nfs/dbraw/zinc/69/59/08/1121695908.db2.gz CFWKNEKMOSQMPK-JTQLQIEISA-N 0 1 273.804 3.807 20 0 CHADMN CC(C)c1nc(CN[C@@](C)(CO)C2CCCCC2)cs1 ZINC000152776281 1129003112 /nfs/dbraw/zinc/00/31/12/1129003112.db2.gz JXCBWSMLOHWXGS-INIZCTEOSA-N 0 1 296.480 3.687 20 0 CHADMN COc1ccc(-c2nc(CN(C)CCC(C)C)co2)cc1 ZINC000052246044 1121696856 /nfs/dbraw/zinc/69/68/56/1121696856.db2.gz LDAYDGSBSKBXHH-UHFFFAOYSA-N 0 1 288.391 3.828 20 0 CHADMN CCc1cccc(CC)c1NC(=O)CN(C)CCC(C)C ZINC000052246065 1121696939 /nfs/dbraw/zinc/69/69/39/1121696939.db2.gz XRCZGRVVGVRQFG-UHFFFAOYSA-N 0 1 290.451 3.728 20 0 CHADMN CSc1ccccc1NC(=S)NC1CCC(F)CC1 ZINC001249685946 1121699946 /nfs/dbraw/zinc/69/99/46/1121699946.db2.gz HPAXPQJIJSHOTO-UHFFFAOYSA-N 0 1 298.452 3.976 20 0 CHADMN C[C@H](C(=O)Nc1ccccc1Cl)N1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419369435 1121702197 /nfs/dbraw/zinc/70/21/97/1121702197.db2.gz HTLMBMXBAIGGQB-MROQNXINSA-N 0 1 294.826 3.643 20 0 CHADMN CSc1ccccc1NC(=S)N1CCCC[C@@H](F)C1 ZINC001249690453 1121703185 /nfs/dbraw/zinc/70/31/85/1121703185.db2.gz XWINLTQWPPOSPI-LLVKDONJSA-N 0 1 298.452 3.929 20 0 CHADMN C[C@H](O)CCCNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000278843987 1121704316 /nfs/dbraw/zinc/70/43/16/1121704316.db2.gz LDUDUOLHZDEBKY-JTQLQIEISA-N 0 1 298.308 3.827 20 0 CHADMN Cc1nc(Cl)ccc1C(=O)Nc1cccc(Cl)c1O ZINC000178838695 1121707913 /nfs/dbraw/zinc/70/79/13/1121707913.db2.gz IAFRATIJTUUHBQ-UHFFFAOYSA-N 0 1 297.141 3.655 20 0 CHADMN CCCN(C(=O)CCc1cnc[nH]1)[C@@H](CC)c1ccccc1 ZINC000279679096 1121709901 /nfs/dbraw/zinc/70/99/01/1121709901.db2.gz OKUXMBGCQRCWAE-KRWDZBQOSA-N 0 1 299.418 3.732 20 0 CHADMN Cc1ncoc1CN[C@@H](c1ccccc1)C(C)(C)C ZINC000894171842 1121717349 /nfs/dbraw/zinc/71/73/49/1121717349.db2.gz BUGVBWQQFLTGEM-HNNXBMFYSA-N 0 1 258.365 3.860 20 0 CHADMN CCOc1ccccc1CNCc1cccc2c1NCCC2 ZINC000894198943 1121730995 /nfs/dbraw/zinc/73/09/95/1121730995.db2.gz HRAJAGAXMBBTQL-UHFFFAOYSA-N 0 1 296.414 3.733 20 0 CHADMN C[C@H](O)c1ccc(CNCc2cc3cc(F)ccc3o2)cc1 ZINC001177479220 1121735107 /nfs/dbraw/zinc/73/51/07/1121735107.db2.gz KOMNHBVUNDWYPH-LBPRGKRZSA-N 0 1 299.345 3.915 20 0 CHADMN Cc1cccc(CN[C@H]2C=CCCC2)c1Br ZINC001178060690 1121764118 /nfs/dbraw/zinc/76/41/18/1121764118.db2.gz WURCPRIVEYDMPI-ZDUSSCGKSA-N 0 1 280.209 3.956 20 0 CHADMN Cc1c[nH]c(CN[C@H](Cc2ccccc2)c2cccs2)n1 ZINC001177816918 1121749139 /nfs/dbraw/zinc/74/91/39/1121749139.db2.gz WBVZCNXKBSRBKF-OAHLLOKOSA-N 0 1 297.427 3.853 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H]1CCCc2ncccc21 ZINC000631562431 1129006790 /nfs/dbraw/zinc/00/67/90/1129006790.db2.gz DZANIUMFMSNZMP-GUYCJALGSA-N 0 1 282.387 3.818 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N1CCN(CCC)CC1 ZINC000727861870 1121751705 /nfs/dbraw/zinc/75/17/05/1121751705.db2.gz UNMKMGWWTISZBS-INIZCTEOSA-N 0 1 282.472 3.537 20 0 CHADMN CCCCCC[C@@H](C)CC(=O)N1CCN(CCC)CC1 ZINC000727861871 1121752678 /nfs/dbraw/zinc/75/26/78/1121752678.db2.gz UNMKMGWWTISZBS-MRXNPFEDSA-N 0 1 282.472 3.537 20 0 CHADMN C[C@@H](NCc1cccc(OC2CCCC2)c1)c1cnn(C)c1 ZINC001177910481 1121757192 /nfs/dbraw/zinc/75/71/92/1121757192.db2.gz BFXDPUAIHPORCR-CQSZACIVSA-N 0 1 299.418 3.592 20 0 CHADMN COc1ccccc1/C=C/CN[C@H](C)c1ncc(C)s1 ZINC001177955615 1121760538 /nfs/dbraw/zinc/76/05/38/1121760538.db2.gz OBXVGMKGNOWYOL-STMXVASLSA-N 0 1 288.416 3.824 20 0 CHADMN COc1ccccc1/C=C\CN[C@H](C)c1ncc(C)s1 ZINC001177955614 1121760863 /nfs/dbraw/zinc/76/08/63/1121760863.db2.gz OBXVGMKGNOWYOL-FWPCIQOSSA-N 0 1 288.416 3.824 20 0 CHADMN CCCCN(c1ccc(N2CCOCC2)cc1)C(C)C ZINC000728052462 1121762286 /nfs/dbraw/zinc/76/22/86/1121762286.db2.gz BSABTRAASFGKSI-UHFFFAOYSA-N 0 1 276.424 3.538 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2nccs2)C1 ZINC000285896827 1121763669 /nfs/dbraw/zinc/76/36/69/1121763669.db2.gz ZODDBJQGAVQFBX-OCCSQVGLSA-N 0 1 258.390 3.726 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2cscn2)C1 ZINC000285612750 1121764020 /nfs/dbraw/zinc/76/40/20/1121764020.db2.gz JXLYTUQTFFKXMH-DOMZBBRYSA-N 0 1 258.390 3.726 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2N[C@@H]1CCCc2ncccc21 ZINC000631566461 1129007697 /nfs/dbraw/zinc/00/76/97/1129007697.db2.gz OXNVZIRKVGAVGF-CVEARBPZSA-N 0 1 268.360 3.719 20 0 CHADMN CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@@H]1c1ccsc1 ZINC000052804049 1121771782 /nfs/dbraw/zinc/77/17/82/1121771782.db2.gz KNAXIZNQNWYROJ-GXTWGEPZSA-N 0 1 294.464 3.578 20 0 CHADMN CCN1CCCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000729283955 1121772712 /nfs/dbraw/zinc/77/27/12/1121772712.db2.gz YWXJOQHASADGSQ-INIZCTEOSA-N 0 1 288.435 3.797 20 0 CHADMN CC(C)c1cc(CN[C@H]2c3ccccc3C[C@@H]2C)on1 ZINC000169236475 1121772814 /nfs/dbraw/zinc/77/28/14/1121772814.db2.gz BOTFOOOQDSHBQL-YVEFUNNKSA-N 0 1 270.376 3.821 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cc(C(C)C)no1)CC2 ZINC000169263972 1121772945 /nfs/dbraw/zinc/77/29/45/1121772945.db2.gz CIUSYXVWNHNHJL-INIZCTEOSA-N 0 1 270.376 3.884 20 0 CHADMN c1cc2c(o1)CCC[C@H]2N[C@@H]1CCCc2ncccc21 ZINC000631566463 1129008125 /nfs/dbraw/zinc/00/81/25/1129008125.db2.gz OXNVZIRKVGAVGF-HZPDHXFCSA-N 0 1 268.360 3.719 20 0 CHADMN Fc1ccc(CN[C@H]2CCCc3ncccc32)c(F)c1 ZINC000631578285 1129008866 /nfs/dbraw/zinc/00/88/66/1129008866.db2.gz ZZYZPQMZNMAWMT-INIZCTEOSA-N 0 1 274.314 3.527 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccc(-n3ccnc3)cc2)o1 ZINC001178408799 1121785775 /nfs/dbraw/zinc/78/57/75/1121785775.db2.gz GZHUONBBJFMXPT-CQSZACIVSA-N 0 1 295.386 3.879 20 0 CHADMN Nc1c(F)cccc1CNCc1cccc(C(F)F)c1 ZINC001178493286 1121787810 /nfs/dbraw/zinc/78/78/10/1121787810.db2.gz WBEHNQPGURRBHF-UHFFFAOYSA-N 0 1 280.293 3.635 20 0 CHADMN CC(C)C(C)(C)CNCc1csc(C(F)(F)F)n1 ZINC001178510309 1121791500 /nfs/dbraw/zinc/79/15/00/1121791500.db2.gz XMDNYZGDXWUMEZ-UHFFFAOYSA-N 0 1 280.359 3.934 20 0 CHADMN CCC[C@@H](NCc1cccc(CO)c1)c1cc(C)ccn1 ZINC000631581231 1129010072 /nfs/dbraw/zinc/01/00/72/1129010072.db2.gz OIWCNVJFLLHUAS-QGZVFWFLSA-N 0 1 284.403 3.513 20 0 CHADMN c1ccc2c(c1)SC[C@@H]2N[C@@H]1CCCc2ncccc21 ZINC000631583146 1129010317 /nfs/dbraw/zinc/01/03/17/1129010317.db2.gz VIFYKLFGMHTVNU-CVEARBPZSA-N 0 1 282.412 3.896 20 0 CHADMN COc1cc2c(cc1CN[C@@H](C)c1ccccc1)O[C@@H](C)C2 ZINC000070982140 1121807129 /nfs/dbraw/zinc/80/71/29/1121807129.db2.gz SPFWCAOYUMLVIG-KBPBESRZSA-N 0 1 297.398 3.869 20 0 CHADMN Cc1ccc(CNc2cccc3[nH]nnc32)c(Cl)c1 ZINC001178747548 1121812114 /nfs/dbraw/zinc/81/21/14/1121812114.db2.gz NGIQVXBWIJIRTO-UHFFFAOYSA-N 0 1 272.739 3.532 20 0 CHADMN CCO[C@@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C[C@H]1C ZINC000451521992 1121812025 /nfs/dbraw/zinc/81/20/25/1121812025.db2.gz AKRFVOYOEMIUQJ-BXUZGUMPSA-N 0 1 285.790 3.726 20 0 CHADMN CCO[C@@H]1CCN(Cc2cccc(F)c2Cl)C[C@H]1C ZINC000451521992 1121812034 /nfs/dbraw/zinc/81/20/34/1121812034.db2.gz AKRFVOYOEMIUQJ-BXUZGUMPSA-N 0 1 285.790 3.726 20 0 CHADMN CC1(C)CCC(CNc2cccc3[nH]nnc32)CC1 ZINC001178754366 1121813723 /nfs/dbraw/zinc/81/37/23/1121813723.db2.gz LEXRRAIWLSHYTN-UHFFFAOYSA-N 0 1 258.369 3.586 20 0 CHADMN Cc1cc([C@H](C)NCc2cnn(CC(F)F)c2)c(C)s1 ZINC000292581795 1121816603 /nfs/dbraw/zinc/81/66/03/1121816603.db2.gz AIVOVJBXLNIKHF-JTQLQIEISA-N 0 1 299.390 3.677 20 0 CHADMN C[C@H](NCc1cnsc1)c1cccc(C2CC2)c1 ZINC001178800872 1121817493 /nfs/dbraw/zinc/81/74/93/1121817493.db2.gz MLUYQMZDUUHCLG-NSHDSACASA-N 0 1 258.390 3.871 20 0 CHADMN CC[C@H]([NH2+]Cc1cccc([O-])c1Cl)[C@@H]1CC1(C)C ZINC001178978173 1121831755 /nfs/dbraw/zinc/83/17/55/1121831755.db2.gz USAVGCYLEXZAHX-RYUDHWBXSA-N 0 1 267.800 3.960 20 0 CHADMN COC(=O)c1cc(CN[C@@H](C)c2ccsc2)c(C)s1 ZINC000619783640 1129013572 /nfs/dbraw/zinc/01/35/72/1129013572.db2.gz VZNUGCOIUFXZMI-VIFPVBQESA-N 0 1 295.429 3.755 20 0 CHADMN CCCC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(C)[nH]n1 ZINC001179152028 1121853157 /nfs/dbraw/zinc/85/31/57/1121853157.db2.gz IXCDTMKHOPVOLR-IUODEOHRSA-N 0 1 277.412 3.598 20 0 CHADMN CCc1ccc(C)nc1NCc1ccc(F)c(F)c1 ZINC001179140641 1121853838 /nfs/dbraw/zinc/85/38/38/1121853838.db2.gz QVLWGQJBWZDVOK-UHFFFAOYSA-N 0 1 262.303 3.843 20 0 CHADMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000030379174 1121854056 /nfs/dbraw/zinc/85/40/56/1121854056.db2.gz UVXYJGMONQFOHI-DYVFJYSZSA-N 0 1 297.402 3.727 20 0 CHADMN C[C@H](N[C@H]1CSc2ccccc21)c1cccc(CO)c1 ZINC000345188711 1121855791 /nfs/dbraw/zinc/85/57/91/1121855791.db2.gz QEKLUUYKHQCQDR-LRDDRELGSA-N 0 1 285.412 3.677 20 0 CHADMN Cc1cccc2c1OCC[C@H]2N[C@H]1CCCc2ncccc21 ZINC000631622923 1129014532 /nfs/dbraw/zinc/01/45/32/1129014532.db2.gz YDDJEFMOLCJHCF-ZWKOTPCHSA-N 0 1 294.398 3.881 20 0 CHADMN Cc1c([C@@H](C)N[C@H](c2cccnc2)C2CC2)cnn1C(C)C ZINC000345278337 1121864692 /nfs/dbraw/zinc/86/46/92/1121864692.db2.gz SNQXMWKSQLOZFQ-ACJLOTCBSA-N 0 1 298.434 3.969 20 0 CHADMN C[C@H](NCc1cccc(F)c1F)c1ccc2c(c1)CCO2 ZINC000731450126 1121867965 /nfs/dbraw/zinc/86/79/65/1121867965.db2.gz DKCZDOAFJAHXDQ-NSHDSACASA-N 0 1 289.325 3.751 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(C3CCC3)cc2)n(C)n1 ZINC000631625065 1129015064 /nfs/dbraw/zinc/01/50/64/1129015064.db2.gz FZCXBMQACJOLQJ-CQSZACIVSA-N 0 1 283.419 3.847 20 0 CHADMN CCc1ncc(CN2CCCC[C@@H]2c2ccccc2)o1 ZINC001119737915 1121875015 /nfs/dbraw/zinc/87/50/15/1121875015.db2.gz HFVOLPWKODDQCZ-MRXNPFEDSA-N 0 1 270.376 3.964 20 0 CHADMN C[C@@H]1CC[C@@H](C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000345395575 1121879423 /nfs/dbraw/zinc/87/94/23/1121879423.db2.gz SORZFYFCGJAGOA-RKDXNWHRSA-N 0 1 293.317 3.875 20 0 CHADMN C[C@H]1C[C@H](N[C@H]2c3ccccc3OC[C@H]2F)C[C@@H](C)C1 ZINC001179579481 1121889017 /nfs/dbraw/zinc/88/90/17/1121889017.db2.gz QPAIUDBYOJYCOV-KTHACSRUSA-N 0 1 277.383 3.873 20 0 CHADMN COc1c(C)cccc1CN[C@H]1CCCc2ncccc21 ZINC000631644316 1129016443 /nfs/dbraw/zinc/01/64/43/1129016443.db2.gz OGZIWFSCDJESJJ-KRWDZBQOSA-N 0 1 282.387 3.566 20 0 CHADMN COc1ccc2c(c1)CC[C@@H]2N[C@@H]1COCc2ccccc21 ZINC000631640375 1129016546 /nfs/dbraw/zinc/01/65/46/1129016546.db2.gz APSFSACUIONDNN-RBUKOAKNSA-N 0 1 295.382 3.544 20 0 CHADMN Clc1cc(Cl)cc(CCN2CC[C@@H]3C[C@@H]32)c1 ZINC000773824348 1121902690 /nfs/dbraw/zinc/90/26/90/1121902690.db2.gz UQJWYZPQBGHKSP-MFKMUULPSA-N 0 1 256.176 3.630 20 0 CHADMN CCn1cnc(Cl)c1CN[C@@H]1CCCc2ccccc21 ZINC001179722707 1121905254 /nfs/dbraw/zinc/90/52/54/1121905254.db2.gz QLKGXQWCRGUGGE-CQSZACIVSA-N 0 1 289.810 3.724 20 0 CHADMN CC[C@@H](C)CN(C)Cn1ccn(C(C)C)c1=S ZINC000732184560 1121909468 /nfs/dbraw/zinc/90/94/68/1121909468.db2.gz WHTHRMIGKSGIDW-GFCCVEGCSA-N 0 1 255.431 3.535 20 0 CHADMN CC[C@H](C)CN(C)Cn1ccn(C(C)C)c1=S ZINC000732184562 1121910654 /nfs/dbraw/zinc/91/06/54/1121910654.db2.gz WHTHRMIGKSGIDW-LBPRGKRZSA-N 0 1 255.431 3.535 20 0 CHADMN Cc1ncoc1CN[C@H]1CCC(C)(C)c2ccccc21 ZINC000894241612 1121912828 /nfs/dbraw/zinc/91/28/28/1121912828.db2.gz KNNWYVNAMUUSIM-HNNXBMFYSA-N 0 1 270.376 3.885 20 0 CHADMN Clc1cnc(CNC[C@@H]2C[C@@H]2C2CCCC2)s1 ZINC001179815251 1121912991 /nfs/dbraw/zinc/91/29/91/1121912991.db2.gz FFQSCKAGYIPEHZ-WDEREUQCSA-N 0 1 270.829 3.712 20 0 CHADMN CCc1cccc(NC(=O)CNCc2cc(C)cc(C)c2)c1 ZINC000732231758 1121913673 /nfs/dbraw/zinc/91/36/73/1121913673.db2.gz YRIIBUWNIBLDBT-UHFFFAOYSA-N 0 1 296.414 3.594 20 0 CHADMN C[C@H]1Cc2cc(CN3CC[C@@H]3c3ccccc3)ccc2O1 ZINC001179844910 1121916016 /nfs/dbraw/zinc/91/60/16/1121916016.db2.gz GUAYQLXPGCWXAK-KBXCAEBGSA-N 0 1 279.383 3.957 20 0 CHADMN CCc1cccc(F)c1CN(C)CCOc1ccccc1 ZINC001179849251 1121916141 /nfs/dbraw/zinc/91/61/41/1121916141.db2.gz BFIVSYKOTUXNLD-UHFFFAOYSA-N 0 1 287.378 3.899 20 0 CHADMN CCCCCCN(C)CC(=O)N1C[C@@H](C)c2ccccc21 ZINC000732272152 1121916475 /nfs/dbraw/zinc/91/64/75/1121916475.db2.gz KHLZSUHVOFHWFC-OAHLLOKOSA-N 0 1 288.435 3.649 20 0 CHADMN C[C@H]1Cc2cc(CN3CC[C@H]3c3ccccc3)ccc2O1 ZINC001179844912 1121916949 /nfs/dbraw/zinc/91/69/49/1121916949.db2.gz GUAYQLXPGCWXAK-KSSFIOAISA-N 0 1 279.383 3.957 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2csc(C(F)(F)F)c2)C1 ZINC001179898578 1121919375 /nfs/dbraw/zinc/91/93/75/1121919375.db2.gz PZVWUTLROJBCBC-RKDXNWHRSA-N 0 1 263.328 3.997 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cncc(OC)c1C ZINC001179930463 1121924787 /nfs/dbraw/zinc/92/47/87/1121924787.db2.gz BQCDRWRLSJHBHR-SFHVURJKSA-N 0 1 296.414 3.908 20 0 CHADMN Fc1ccc([C@@H](N[C@@H]2CCCC23CC3)c2ncc[nH]2)cc1 ZINC000631663018 1129019156 /nfs/dbraw/zinc/01/91/56/1129019156.db2.gz HKTYPORYFMUDEY-HUUCEWRRSA-N 0 1 285.366 3.561 20 0 CHADMN Cc1ccc([C@@H]2COCCN2C[C@H]2C(C)=CCC[C@@H]2C)o1 ZINC001179956187 1121934718 /nfs/dbraw/zinc/93/47/18/1121934718.db2.gz CVVHRCGFYBUPOI-XIRDDKMYSA-N 0 1 289.419 3.954 20 0 CHADMN CCOc1ccc(CN2CCS[C@H]3CCCC[C@@H]32)o1 ZINC001180053331 1121943732 /nfs/dbraw/zinc/94/37/32/1121943732.db2.gz YEFALBFAMKWHCJ-KBPBESRZSA-N 0 1 281.421 3.538 20 0 CHADMN CS[C@@H]1CC[C@H](N(C)Cc2c(F)cc(C)cc2F)C1 ZINC001180071614 1121946927 /nfs/dbraw/zinc/94/69/27/1121946927.db2.gz DFIUCYLRVOEEQI-NWDGAFQWSA-N 0 1 285.403 3.989 20 0 CHADMN Cc1cccc(CCC(=O)Nc2nc3cccc(C)c3[nH]2)c1 ZINC001180162081 1121959588 /nfs/dbraw/zinc/95/95/88/1121959588.db2.gz FHKLAKXDLIWXAK-UHFFFAOYSA-N 0 1 293.370 3.751 20 0 CHADMN CN(C)c1cccc(CNCc2cccc(Cl)c2F)c1 ZINC000133921807 1121966124 /nfs/dbraw/zinc/96/61/24/1121966124.db2.gz XGGOWEIDMQXHFW-UHFFFAOYSA-N 0 1 292.785 3.835 20 0 CHADMN Cc1nc2cc(NC[C@H]3CC=CCC3)ccc2n1[C@H](C)CO ZINC000419763207 1121966440 /nfs/dbraw/zinc/96/64/40/1121966440.db2.gz NIYPBAXEIGDDLP-HIFRSBDPSA-N 0 1 299.418 3.666 20 0 CHADMN Oc1ccc2c(c1)CN(C[C@H]1CCCCC1(F)F)C2 ZINC000625728189 1121968804 /nfs/dbraw/zinc/96/88/04/1121968804.db2.gz YUHHXRDRDPWCRC-CYBMUJFWSA-N 0 1 267.319 3.533 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N[C@H](C)c2cnccn2)c1 ZINC000070478818 1121969439 /nfs/dbraw/zinc/96/94/39/1121969439.db2.gz XAMKWMWVWHUOJR-ZIAGYGMSSA-N 0 1 255.365 3.505 20 0 CHADMN C[C@H]1CCN(Cc2ccc(C(F)(F)F)nc2Cl)C1 ZINC001180266945 1121969941 /nfs/dbraw/zinc/96/99/41/1121969941.db2.gz IRNMKKVWDPNNTN-QMMMGPOBSA-N 0 1 278.705 3.596 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(C(F)(F)F)nc2Cl)C1 ZINC001180266944 1121970308 /nfs/dbraw/zinc/97/03/08/1121970308.db2.gz IRNMKKVWDPNNTN-MRVPVSSYSA-N 0 1 278.705 3.596 20 0 CHADMN c1cnc2cc(CN[C@@H]3CCCc4cccnc43)ccc2c1 ZINC000631685090 1129021650 /nfs/dbraw/zinc/02/16/50/1129021650.db2.gz XHSUSIVHMPFESO-QGZVFWFLSA-N 0 1 289.382 3.797 20 0 CHADMN CC(C)c1cnc(CN(C)CC2CCCCC2)o1 ZINC000733308340 1121973189 /nfs/dbraw/zinc/97/31/89/1121973189.db2.gz XONFTZYTXWYAIQ-UHFFFAOYSA-N 0 1 250.386 3.810 20 0 CHADMN Cc1cc(C[NH2+]Cc2ccc([O-])c(Cl)c2)ccc1F ZINC000733322582 1121975675 /nfs/dbraw/zinc/97/56/75/1121975675.db2.gz NRYULHSWADGVMG-UHFFFAOYSA-N 0 1 279.742 3.783 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2CCCc3ccc(O)cc32)s1 ZINC000631707593 1129022453 /nfs/dbraw/zinc/02/24/53/1129022453.db2.gz IUJNPAHVEPPZJV-MEBBXXQBSA-N 0 1 288.416 3.885 20 0 CHADMN Cc1occc1C[N@@H+]1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000414438206 1121980289 /nfs/dbraw/zinc/98/02/89/1121980289.db2.gz VAJRETFVYKMXKE-BXKDBHETSA-N 0 1 261.287 3.751 20 0 CHADMN Cc1occc1CN1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000414438206 1121980295 /nfs/dbraw/zinc/98/02/95/1121980295.db2.gz VAJRETFVYKMXKE-BXKDBHETSA-N 0 1 261.287 3.751 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2cnc(C)s2)s1 ZINC000631706854 1129022610 /nfs/dbraw/zinc/02/26/10/1129022610.db2.gz BPJOBMISDHQHIC-HTQZYQBOSA-N 0 1 267.423 3.628 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](C)c2ccc3c(c2)COC3)s1 ZINC000631706631 1129022813 /nfs/dbraw/zinc/02/28/13/1129022813.db2.gz JSMFEDJAZXPISG-WDEREUQCSA-N 0 1 288.416 3.894 20 0 CHADMN CCOc1cc(CN2CCCCCC2)c(F)cc1OC ZINC001180372154 1121985221 /nfs/dbraw/zinc/98/52/21/1121985221.db2.gz LKHBBKFGPNRADF-UHFFFAOYSA-N 0 1 281.371 3.609 20 0 CHADMN CC[C@@H](OC(=O)c1[nH]nc2c1CCCC2)c1ccccc1 ZINC000733436672 1121989053 /nfs/dbraw/zinc/98/90/53/1121989053.db2.gz PDANCSJAXKZQIS-OAHLLOKOSA-N 0 1 284.359 3.597 20 0 CHADMN Fc1ccc(OCCC[N@H+]2CCc3sccc3C2)cc1 ZINC000501780882 1122007510 /nfs/dbraw/zinc/00/75/10/1122007510.db2.gz HZEPRCLKUNFBOJ-UHFFFAOYSA-N 0 1 291.391 3.714 20 0 CHADMN Fc1ccc(OCCCN2CCc3sccc3C2)cc1 ZINC000501780882 1122007516 /nfs/dbraw/zinc/00/75/16/1122007516.db2.gz HZEPRCLKUNFBOJ-UHFFFAOYSA-N 0 1 291.391 3.714 20 0 CHADMN C[C@@H]1CCN(Cc2coc(-c3ccc(F)cc3)n2)C[C@@H]1C ZINC000501774854 1122008625 /nfs/dbraw/zinc/00/86/25/1122008625.db2.gz LAVFDQOKOWVERF-OLZOCXBDSA-N 0 1 288.366 3.959 20 0 CHADMN Fc1cccc(CN[C@H]2CCCc3ncccc32)c1F ZINC000631725554 1129024780 /nfs/dbraw/zinc/02/47/80/1129024780.db2.gz HVRMPCKPLYPYEU-HNNXBMFYSA-N 0 1 274.314 3.527 20 0 CHADMN Cc1occc1CN[C@H](c1ccccc1)C1(CO)CCC1 ZINC000414456200 1122010173 /nfs/dbraw/zinc/01/01/73/1122010173.db2.gz UBALCFIAONNGCD-QGZVFWFLSA-N 0 1 285.387 3.582 20 0 CHADMN C[C@@H]1CCN(Cc2coc(-c3cccc(F)c3)n2)C[C@H]1C ZINC000501797837 1122010861 /nfs/dbraw/zinc/01/08/61/1122010861.db2.gz WRZJYIRVEXQSFD-CHWSQXEVSA-N 0 1 288.366 3.959 20 0 CHADMN CC1(C)CCC(c2noc(C34CCCN3CCC4)n2)CC1 ZINC000420498397 1122013941 /nfs/dbraw/zinc/01/39/41/1122013941.db2.gz NBSJSMFTIVFDFD-UHFFFAOYSA-N 0 1 289.423 3.838 20 0 CHADMN Cc1occc1CN[C@@H]1CCCc2c(F)cccc21 ZINC000414458095 1122018293 /nfs/dbraw/zinc/01/82/93/1122018293.db2.gz LZAYXXUJOGYCAR-MRXNPFEDSA-N 0 1 259.324 3.894 20 0 CHADMN CCn1cc(CN[C@@H](C)c2ccccc2SC)c(C)n1 ZINC000894251307 1122019110 /nfs/dbraw/zinc/01/91/10/1122019110.db2.gz KOBINNDKCDFYAD-ZDUSSCGKSA-N 0 1 289.448 3.784 20 0 CHADMN c1nc2c(s1)CN(CCSC1CCCCC1)CC2 ZINC000501927281 1122024312 /nfs/dbraw/zinc/02/43/12/1122024312.db2.gz KPDANWFWHQMHSW-UHFFFAOYSA-N 0 1 282.478 3.567 20 0 CHADMN CC[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1Br ZINC000501939320 1122027033 /nfs/dbraw/zinc/02/70/33/1122027033.db2.gz QYGKIEKFUZRULR-SECBINFHSA-N 0 1 274.177 3.819 20 0 CHADMN CC[C@@H](C)N(C)Cc1cc(F)ccc1Br ZINC000501939320 1122027039 /nfs/dbraw/zinc/02/70/39/1122027039.db2.gz QYGKIEKFUZRULR-SECBINFHSA-N 0 1 274.177 3.819 20 0 CHADMN Cc1cncc([C@@H](C)N[C@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000631736884 1129026311 /nfs/dbraw/zinc/02/63/11/1129026311.db2.gz AMGLVPUZCZNDNQ-VXGBXAGGSA-N 0 1 297.358 3.649 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000631736209 1129026357 /nfs/dbraw/zinc/02/63/57/1129026357.db2.gz BLLAPFMZNUJYCT-CABCVRRESA-N 0 1 283.419 3.940 20 0 CHADMN C[C@@H](N[C@@H](CN1CCCCC1)c1ccccc1)c1ncco1 ZINC000924926558 1122033576 /nfs/dbraw/zinc/03/35/76/1122033576.db2.gz YSVJXZJOLJZAAQ-WBVHZDCISA-N 0 1 299.418 3.552 20 0 CHADMN C[C@@H](NCC1(c2ccc(Cl)cc2)CC1)c1ncco1 ZINC000924926964 1122035757 /nfs/dbraw/zinc/03/57/57/1122035757.db2.gz ZVJZWHJHPIKGDM-LLVKDONJSA-N 0 1 276.767 3.710 20 0 CHADMN Cn1cc(Cl)c(CN(CC2CC2)C2CCCCC2)n1 ZINC000420906637 1122043429 /nfs/dbraw/zinc/04/34/29/1122043429.db2.gz SUWRQOYJJPBARY-UHFFFAOYSA-N 0 1 281.831 3.618 20 0 CHADMN Cc1cccnc1CNCc1ccc(C(C)C)cc1 ZINC000071339229 1122046081 /nfs/dbraw/zinc/04/60/81/1122046081.db2.gz ORHVXEXWOSQHCV-UHFFFAOYSA-N 0 1 254.377 3.803 20 0 CHADMN Cc1cccnc1CN[C@@H]1CCSc2ccccc21 ZINC000071339305 1122046606 /nfs/dbraw/zinc/04/66/06/1122046606.db2.gz FKIMEESVGVLTCO-CQSZACIVSA-N 0 1 270.401 3.717 20 0 CHADMN Cc1ncc(CN2CCC[C@@H](CC(F)(F)F)C2)s1 ZINC000420940076 1122047336 /nfs/dbraw/zinc/04/73/36/1122047336.db2.gz CUVPOLUYLLYSPG-JTQLQIEISA-N 0 1 278.343 3.616 20 0 CHADMN CCC[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cc(C)ccn1 ZINC000631753728 1129027507 /nfs/dbraw/zinc/02/75/07/1129027507.db2.gz RUTXQFQWZPXBLI-IJLUTSLNSA-N 0 1 272.314 3.772 20 0 CHADMN CO[C@H](C)c1nc(CN2CC[C@H](C3CCCC3)C2)cs1 ZINC000420958239 1122050253 /nfs/dbraw/zinc/05/02/53/1122050253.db2.gz BPSHNUNJUOQTNE-OCCSQVGLSA-N 0 1 294.464 3.863 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CC[C@H](C2CCCC2)C1 ZINC000420962742 1122050987 /nfs/dbraw/zinc/05/09/87/1122050987.db2.gz LEZJETKYFYUQBM-JSGCOSHPSA-N 0 1 291.439 3.940 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CC[C@H](C2CCCC2)C1 ZINC000420961094 1122051702 /nfs/dbraw/zinc/05/17/02/1122051702.db2.gz IBFNHTWVOFJYSY-RISCZKNCSA-N 0 1 275.396 3.520 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CC[C@@H](C2CCCC2)C1 ZINC000420961092 1122052023 /nfs/dbraw/zinc/05/20/23/1122052023.db2.gz IBFNHTWVOFJYSY-BXUZGUMPSA-N 0 1 275.396 3.520 20 0 CHADMN COc1cncc(CN[C@H](CC(F)F)c2ccccc2)c1 ZINC000420999421 1122058573 /nfs/dbraw/zinc/05/85/73/1122058573.db2.gz UUOCKPVDCLCJJP-OAHLLOKOSA-N 0 1 292.329 3.576 20 0 CHADMN CC(C)N(CC(=O)NC1CCCC1)[C@@H](C)c1ccsc1 ZINC000421007372 1122060982 /nfs/dbraw/zinc/06/09/82/1122060982.db2.gz LALCQDVMQYBYHH-ZDUSSCGKSA-N 0 1 294.464 3.578 20 0 CHADMN CO[C@H]1c2ccccc2C[C@H]1NCc1ccsc1Cl ZINC000414495227 1122066193 /nfs/dbraw/zinc/06/61/93/1122066193.db2.gz MMFPVLRCEJRMQT-KGLIPLIRSA-N 0 1 293.819 3.804 20 0 CHADMN CC(C)(C)c1ccncc1CNCc1ccccc1F ZINC000414497683 1122071262 /nfs/dbraw/zinc/07/12/62/1122071262.db2.gz LDTPFUBGRZYRTE-UHFFFAOYSA-N 0 1 272.367 3.808 20 0 CHADMN CCCOc1ccc(CN2CCCC[C@H](F)C2)cc1 ZINC001204306743 1122074144 /nfs/dbraw/zinc/07/41/44/1122074144.db2.gz YRRINEIPCIXYKW-HNNXBMFYSA-N 0 1 265.372 3.799 20 0 CHADMN CO[C@](C)([C@@H](C)NCc1ncc(C(C)C)s1)C1CC1 ZINC000414504379 1122078422 /nfs/dbraw/zinc/07/84/22/1122078422.db2.gz SJLZKXDARZJQBA-IAQYHMDHSA-N 0 1 282.453 3.560 20 0 CHADMN Oc1ccc(CN2CC(c3ccc(Cl)cc3)C2)cc1F ZINC001181827624 1122082720 /nfs/dbraw/zinc/08/27/20/1122082720.db2.gz MOVDXTMRFMHZDR-UHFFFAOYSA-N 0 1 291.753 3.784 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1CNCc1nccc(C(F)(F)F)n1 ZINC000414509876 1122089784 /nfs/dbraw/zinc/08/97/84/1122089784.db2.gz STBJMJSGCIPQCV-NWDGAFQWSA-N 0 1 299.340 3.577 20 0 CHADMN Cc1ncc(CN(C)Cc2cccc(C3CC3)c2)s1 ZINC000421318842 1122092729 /nfs/dbraw/zinc/09/27/29/1122092729.db2.gz ILOVAZHAZLTRHP-UHFFFAOYSA-N 0 1 272.417 3.961 20 0 CHADMN Cc1c(Cl)c(CN2[C@H](C)C[C@H]3CCCC[C@@H]32)nn1C ZINC000421318505 1122093484 /nfs/dbraw/zinc/09/34/84/1122093484.db2.gz FZQKIGYKPNOFIY-QKCSRTOESA-N 0 1 281.831 3.535 20 0 CHADMN Cc1cccc2nc(NC(=O)[C@H]3CC34CCCCC4)[nH]c21 ZINC001181901248 1122093842 /nfs/dbraw/zinc/09/38/42/1122093842.db2.gz AQNBTLPXOMNHHA-GFCCVEGCSA-N 0 1 283.375 3.780 20 0 CHADMN F[C@@H]1CCCC[C@H]1NCc1cnc(-c2ccco2)s1 ZINC000414511980 1122096904 /nfs/dbraw/zinc/09/69/04/1122096904.db2.gz LURNQRPTCQAPBG-VXGBXAGGSA-N 0 1 280.368 3.773 20 0 CHADMN CCn1cc(CN[C@H](C)c2ccccc2SC)c(C)n1 ZINC000894258154 1122102192 /nfs/dbraw/zinc/10/21/92/1122102192.db2.gz KOBINNDKCDFYAD-CYBMUJFWSA-N 0 1 289.448 3.784 20 0 CHADMN CCn1cncc1CN(C(C)C)[C@H](C)c1ccsc1 ZINC000421380707 1122104980 /nfs/dbraw/zinc/10/49/80/1122104980.db2.gz ZFUXKVGSFQHDHA-CYBMUJFWSA-N 0 1 277.437 3.936 20 0 CHADMN COc1cc(CN2CC(C)(C)[C@H]2C2CC2)ccc1Cl ZINC001182184617 1122117200 /nfs/dbraw/zinc/11/72/00/1122117200.db2.gz PZHFSZFDCNGQFG-OAHLLOKOSA-N 0 1 279.811 3.969 20 0 CHADMN Cc1cc(C)c(/C=C/CN2CCC[C@@H]3COC[C@@H]32)cc1C ZINC001182271567 1122126578 /nfs/dbraw/zinc/12/65/78/1122126578.db2.gz IIQRYXXBLFVRIM-MPTZACGUSA-N 0 1 285.431 3.736 20 0 CHADMN CCC[C@H](CC)C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC001182261792 1122128552 /nfs/dbraw/zinc/12/85/52/1122128552.db2.gz NHSLTQLBVBFLGJ-LBPRGKRZSA-N 0 1 286.379 3.545 20 0 CHADMN CCN(Cc1occc1C)Cc1ccc(NC(C)=O)cc1 ZINC000414548801 1122149593 /nfs/dbraw/zinc/14/95/93/1122149593.db2.gz KQGZFKVHKDFCLL-UHFFFAOYSA-N 0 1 286.375 3.569 20 0 CHADMN CC(C)(C)C[C@@H]1CCN(Cc2c(F)ccc(O)c2F)C1 ZINC001182410808 1122149802 /nfs/dbraw/zinc/14/98/02/1122149802.db2.gz UQPFRGUIAHBEOU-NSHDSACASA-N 0 1 283.362 3.929 20 0 CHADMN CC1(C)CCCC[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000192783793 1129034746 /nfs/dbraw/zinc/03/47/46/1129034746.db2.gz BUIFWYZUWNLMAI-CABCVRRESA-N 0 1 298.386 3.550 20 0 CHADMN CCN(Cc1ccc(-c2cc[nH]n2)o1)Cc1occc1C ZINC000414550930 1122150785 /nfs/dbraw/zinc/15/07/85/1122150785.db2.gz OCOKODUYUGCVKT-UHFFFAOYSA-N 0 1 285.347 3.593 20 0 CHADMN C[C@H](NCCc1ccc(C(C)(C)C)cc1)c1csnn1 ZINC000414549515 1122151151 /nfs/dbraw/zinc/15/11/51/1122151151.db2.gz LJTHSPCFIOILQU-LBPRGKRZSA-N 0 1 289.448 3.729 20 0 CHADMN CCN(Cc1occc1C)Cc1ccc2c(c1)CCO2 ZINC000414551960 1122153760 /nfs/dbraw/zinc/15/37/60/1122153760.db2.gz QHNRALSXYUUHGQ-UHFFFAOYSA-N 0 1 271.360 3.545 20 0 CHADMN CC(C)[C@H](NCc1cccc(F)n1)c1ccccc1 ZINC000774454541 1122166943 /nfs/dbraw/zinc/16/69/43/1122166943.db2.gz CALAATYLSROAPR-INIZCTEOSA-N 0 1 258.340 3.708 20 0 CHADMN C[C@@H](N[C@H](C)c1cc(Cl)c(N)c(Cl)c1)c1cn[nH]c1 ZINC000271749910 1122174156 /nfs/dbraw/zinc/17/41/56/1122174156.db2.gz RKCKWICHYVMFCL-HTQZYQBOSA-N 0 1 299.205 3.711 20 0 CHADMN CCOc1cccc2cc([C@H](C)N[C@@H](C)c3cn[nH]c3)oc21 ZINC000271868249 1122179893 /nfs/dbraw/zinc/17/98/93/1122179893.db2.gz MASNJLULQBJDJS-RYUDHWBXSA-N 0 1 299.374 3.966 20 0 CHADMN Cc1c(Cl)ccc(CN(C)[C@H](C)CCO)c1Cl ZINC001182675486 1122181376 /nfs/dbraw/zinc/18/13/76/1122181376.db2.gz OEIRXOXMBNDXHY-SECBINFHSA-N 0 1 276.207 3.505 20 0 CHADMN C[C@H](NCc1ccc(Cl)cn1)c1ccc2c(c1)COC2 ZINC000271891760 1122181693 /nfs/dbraw/zinc/18/16/93/1122181693.db2.gz SCVYMZWNJXAESR-NSHDSACASA-N 0 1 288.778 3.616 20 0 CHADMN C[C@H](NC1CC(C)(c2ccccc2)C1)c1cscn1 ZINC000271962784 1122184500 /nfs/dbraw/zinc/18/45/00/1122184500.db2.gz GNEZOKXXCVCVOP-YGONEPDPSA-N 0 1 272.417 3.914 20 0 CHADMN Cc1ccc(C[N@@H+]2CCC[C@H](OC(C)C)C2)c(F)c1 ZINC001182726444 1122185957 /nfs/dbraw/zinc/18/59/57/1122185957.db2.gz SFTQMNWTJMTGGU-HNNXBMFYSA-N 0 1 265.372 3.524 20 0 CHADMN Cc1ccc(CN2CCC[C@H](OC(C)C)C2)c(F)c1 ZINC001182726444 1122185961 /nfs/dbraw/zinc/18/59/61/1122185961.db2.gz SFTQMNWTJMTGGU-HNNXBMFYSA-N 0 1 265.372 3.524 20 0 CHADMN C[C@@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)CC2(CCCC2)O1 ZINC001182725581 1122186367 /nfs/dbraw/zinc/18/63/67/1122186367.db2.gz LDTKYIPZLHIYCG-SJORKVTESA-N 0 1 299.458 3.825 20 0 CHADMN C[C@@H]1CN(C[C@H]2CCc3ccccc3C2)CC2(CCCC2)O1 ZINC001182725581 1122186369 /nfs/dbraw/zinc/18/63/69/1122186369.db2.gz LDTKYIPZLHIYCG-SJORKVTESA-N 0 1 299.458 3.825 20 0 CHADMN CCCc1ccc(CN(C)Cc2ccc(OC)nc2)s1 ZINC001182854017 1122191277 /nfs/dbraw/zinc/19/12/77/1122191277.db2.gz DZNULYXNMJSGQH-UHFFFAOYSA-N 0 1 290.432 3.736 20 0 CHADMN COc1cc(C)nc(CN[C@@H](c2ccccc2)C2CC2)c1 ZINC000272125200 1122191710 /nfs/dbraw/zinc/19/17/10/1122191710.db2.gz KYTSTOACCNVUMN-SFHVURJKSA-N 0 1 282.387 3.640 20 0 CHADMN CC(C)c1ccccc1NC(=O)Cc1ccc2nc[nH]c2c1 ZINC001182840190 1122191717 /nfs/dbraw/zinc/19/17/17/1122191717.db2.gz CJGFJSZMWWTFAO-UHFFFAOYSA-N 0 1 293.370 3.868 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cn3ccsc3n1)[C@H](C)C2 ZINC000272390333 1122200064 /nfs/dbraw/zinc/20/00/64/1122200064.db2.gz IVPMAJWCZVMSCA-WBMJQRKESA-N 0 1 297.427 3.727 20 0 CHADMN CN(Cc1nccs1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000272403353 1122201011 /nfs/dbraw/zinc/20/10/11/1122201011.db2.gz ZOUFVNQEMGYZLS-LSDHHAIUSA-N 0 1 272.417 3.911 20 0 CHADMN COCC[C@@H](N[C@@H](C)c1ccc(F)cc1)c1ccco1 ZINC000272408577 1122201332 /nfs/dbraw/zinc/20/13/32/1122201332.db2.gz GFKRXOJBTNEFMD-SWLSCSKDSA-N 0 1 277.339 3.847 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)CC1(C)CCCCC1 ZINC000272408966 1122201611 /nfs/dbraw/zinc/20/16/11/1122201611.db2.gz FDTCREJEYAYAHT-UHFFFAOYSA-N 0 1 285.338 3.955 20 0 CHADMN CC(C)(CCCO)CN[C@@H](CCc1ccccc1)C(F)F ZINC000272510680 1122204967 /nfs/dbraw/zinc/20/49/67/1122204967.db2.gz MMVRWCDPVTUAQL-HNNXBMFYSA-N 0 1 299.405 3.641 20 0 CHADMN CC(C)(CCCO)CN[C@H](CCc1ccccc1)C(F)F ZINC000272510682 1122205098 /nfs/dbraw/zinc/20/50/98/1122205098.db2.gz MMVRWCDPVTUAQL-OAHLLOKOSA-N 0 1 299.405 3.641 20 0 CHADMN CC1(C)C[C@@H](NCc2cccnc2)c2cc(F)ccc2O1 ZINC000082505586 1122215848 /nfs/dbraw/zinc/21/58/48/1122215848.db2.gz WDPZVXFFVLNMCN-OAHLLOKOSA-N 0 1 286.350 3.613 20 0 CHADMN CC(C)(C(=O)Nc1cccc(Cl)c1O)[C@@H]1CCCCO1 ZINC000632142720 1129039489 /nfs/dbraw/zinc/03/94/89/1129039489.db2.gz HTUYQGKHTQYMGL-LBPRGKRZSA-N 0 1 297.782 3.579 20 0 CHADMN COc1cc(C)c([C@@H](C)NCc2ccoc2)cc1C ZINC000273177275 1122223296 /nfs/dbraw/zinc/22/32/96/1122223296.db2.gz NQQPRFFVGGCMRP-CYBMUJFWSA-N 0 1 259.349 3.756 20 0 CHADMN COc1cc(F)cc(CN(C)Cc2ccc3cc[nH]c3c2)c1 ZINC001183472482 1122224706 /nfs/dbraw/zinc/22/47/06/1122224706.db2.gz NKDJRZVYYUZXNJ-UHFFFAOYSA-N 0 1 298.361 3.948 20 0 CHADMN CCOc1c(Cl)cccc1CN1CC[C@@H](CF)C1 ZINC001183520791 1122225621 /nfs/dbraw/zinc/22/56/21/1122225621.db2.gz RAPOPCYDABLLIB-NSHDSACASA-N 0 1 271.763 3.530 20 0 CHADMN CO[C@]1(C(F)(F)F)CCN(Cc2csc(C)c2C)C1 ZINC001183520864 1122225805 /nfs/dbraw/zinc/22/58/05/1122225805.db2.gz SROZYTSKGKHQNG-GFCCVEGCSA-N 0 1 293.354 3.518 20 0 CHADMN CCCCCN[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000273420905 1122232628 /nfs/dbraw/zinc/23/26/28/1122232628.db2.gz VIERFRXAONXLBX-LBPRGKRZSA-N 0 1 289.379 3.586 20 0 CHADMN Cc1nnc([C@H](C)NCCCc2ccc(Cl)cc2)s1 ZINC000273624982 1122240972 /nfs/dbraw/zinc/24/09/72/1122240972.db2.gz RFPHSWFBSIUIFT-JTQLQIEISA-N 0 1 295.839 3.783 20 0 CHADMN [O-]c1cc(F)c(CC[NH2+][C@H]2CCCC23CCCC3)c(F)c1 ZINC001183972639 1122249619 /nfs/dbraw/zinc/24/96/19/1122249619.db2.gz WSQWXFXGTSIOBD-INIZCTEOSA-N 0 1 295.373 3.915 20 0 CHADMN CC[C@@H](F)CN(Cc1ccc(OC)cc1OC)CC1CC1 ZINC000503239902 1122251889 /nfs/dbraw/zinc/25/18/89/1122251889.db2.gz LHNONLJZAJTAQU-OAHLLOKOSA-N 0 1 295.398 3.664 20 0 CHADMN Cc1noc(C)c1CN[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503377756 1122258532 /nfs/dbraw/zinc/25/85/32/1122258532.db2.gz ONBOVQATZALIOK-MGPLVRAMSA-N 0 1 290.794 3.970 20 0 CHADMN CC[C@]1(C)COCCN1C/C(C)=C\c1ccccc1 ZINC000503560428 1122267481 /nfs/dbraw/zinc/26/74/81/1122267481.db2.gz WFJFBDZVMMDYDZ-MLRPBERTSA-N 0 1 259.393 3.591 20 0 CHADMN COc1c(F)cc(F)cc1CN1CCC[C@@H](C)[C@H]1C ZINC001143558502 1122276123 /nfs/dbraw/zinc/27/61/23/1122276123.db2.gz YQJGQYPLPKKLKP-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN CC[N@@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000503992056 1122283963 /nfs/dbraw/zinc/28/39/63/1122283963.db2.gz SKMRBCMTQNQHPJ-UHFFFAOYSA-N 0 1 274.177 3.819 20 0 CHADMN CCC[C@H]([NH2+]Cc1nc(C)ccc1[O-])C1CCCCC1 ZINC000504095721 1122285847 /nfs/dbraw/zinc/28/58/47/1122285847.db2.gz HIDUPRLRMUDOCG-HNNXBMFYSA-N 0 1 276.424 3.934 20 0 CHADMN Oc1c(Cl)ccc(Cc2ccc3c(c2)OCO3)c1F ZINC001250157450 1122288727 /nfs/dbraw/zinc/28/87/27/1122288727.db2.gz VYFBGQOMGRXUQR-UHFFFAOYSA-N 0 1 280.682 3.504 20 0 CHADMN CSc1c(Cl)cccc1Nc1ccncc1 ZINC001250157666 1122289197 /nfs/dbraw/zinc/28/91/97/1122289197.db2.gz LPNPRICDVOOPHB-UHFFFAOYSA-N 0 1 250.754 3.622 20 0 CHADMN CC(C)C(N)=NO[C@H](C)CCSc1ccccc1 ZINC000774779560 1122296111 /nfs/dbraw/zinc/29/61/11/1122296111.db2.gz VOWJOEDQOUMLHW-GFCCVEGCSA-N 0 1 266.410 3.712 20 0 CHADMN FC[C@H]1CCCN(Cc2ccc(Br)cc2)C1 ZINC000711509480 1122297117 /nfs/dbraw/zinc/29/71/17/1122297117.db2.gz ALPIUNLESOPYID-GFCCVEGCSA-N 0 1 286.188 3.631 20 0 CHADMN CSc1ccc(C)c(NC(=O)c2cn[nH]c2C(C)C)c1 ZINC000632306350 1129046315 /nfs/dbraw/zinc/04/63/15/1129046315.db2.gz OYSVTNQDGHEUPN-UHFFFAOYSA-N 0 1 289.404 3.816 20 0 CHADMN CC[C@H](C)CCC(=O)N(Cc1cnc[nH]1)Cc1ccccc1 ZINC001185569089 1122348521 /nfs/dbraw/zinc/34/85/21/1122348521.db2.gz HKFOHRAKRUHWDX-HNNXBMFYSA-N 0 1 299.418 3.765 20 0 CHADMN C[C@H](C(=O)Nc1ccccc1C(F)F)N1CCCCCC1 ZINC000425071097 1122366384 /nfs/dbraw/zinc/36/63/84/1122366384.db2.gz JMMHZGCZDHCINZ-GFCCVEGCSA-N 0 1 296.361 3.827 20 0 CHADMN c1ccc2c(c1)oc1c2CCN([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167955146 1122367919 /nfs/dbraw/zinc/36/79/19/1122367919.db2.gz GQSASZCEYPKIFG-ITGUQSILSA-N 0 1 253.345 3.589 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cc(C)ccn2)cc1F ZINC000514098286 1122379235 /nfs/dbraw/zinc/37/92/35/1122379235.db2.gz FSXHCIDZNFFFBU-QWHCGFSZSA-N 0 1 288.366 3.950 20 0 CHADMN CC(C)CCN(Cc1ncnn1C(C)C)C1CCCC1 ZINC000434541906 1122379302 /nfs/dbraw/zinc/37/93/02/1122379302.db2.gz HPDDLWUJBGXHHE-UHFFFAOYSA-N 0 1 278.444 3.650 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCC[C@H](C)F)n2)cc1 ZINC000505443153 1122381408 /nfs/dbraw/zinc/38/14/08/1122381408.db2.gz DBZOWLZRBQRHQY-JTQLQIEISA-N 0 1 265.357 3.620 20 0 CHADMN Cc1cscc1CNc1ccncc1C(F)(F)F ZINC001186325633 1122383285 /nfs/dbraw/zinc/38/32/85/1122383285.db2.gz PIGJRVDKNCSMKC-UHFFFAOYSA-N 0 1 272.295 3.504 20 0 CHADMN C[C@@H](NC(=O)Nc1c(O)cc(F)cc1F)C1CCCCC1 ZINC001186342224 1122387476 /nfs/dbraw/zinc/38/74/76/1122387476.db2.gz FPMZQAXGEJFQIX-SECBINFHSA-N 0 1 298.333 3.761 20 0 CHADMN C[C@H](NC(=O)Nc1c(O)cc(F)cc1F)C1CCCCC1 ZINC001186388836 1122388845 /nfs/dbraw/zinc/38/88/45/1122388845.db2.gz FPMZQAXGEJFQIX-VIFPVBQESA-N 0 1 298.333 3.761 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cn3ccccc3n2)cc1 ZINC000514238107 1122392324 /nfs/dbraw/zinc/39/23/24/1122392324.db2.gz BIDMVJOKHKUCTP-GOSISDBHSA-N 0 1 291.398 3.980 20 0 CHADMN FCCCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000505468045 1122393524 /nfs/dbraw/zinc/39/35/24/1122393524.db2.gz RGZAYELERAXLJB-UHFFFAOYSA-N 0 1 285.775 3.967 20 0 CHADMN Cc1ccccc1CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000430104226 1122401189 /nfs/dbraw/zinc/40/11/89/1122401189.db2.gz LREZIUIWOZMZQN-QGZVFWFLSA-N 0 1 266.388 3.973 20 0 CHADMN CCOC1(C)CCN(Cc2cnc(C(C)C)s2)CC1 ZINC000430107261 1122405821 /nfs/dbraw/zinc/40/58/21/1122405821.db2.gz RSBTXWZBRAVKMO-UHFFFAOYSA-N 0 1 282.453 3.658 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@](C)(c3ccc(C)cc3)C2)n1 ZINC000434740037 1122407292 /nfs/dbraw/zinc/40/72/92/1122407292.db2.gz YJNCNCFFVVEMRZ-KSSFIOAISA-N 0 1 299.418 3.665 20 0 CHADMN CCN(C(=O)c1cccc2c[nH]nc21)c1cccc(C)c1 ZINC000505522314 1122413571 /nfs/dbraw/zinc/41/35/71/1122413571.db2.gz UHERIQBMJYCTDI-UHFFFAOYSA-N 0 1 279.343 3.538 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1ccccn1 ZINC000281812477 1122415207 /nfs/dbraw/zinc/41/52/07/1122415207.db2.gz WBRKZHDDFGKSJP-LBPRGKRZSA-N 0 1 258.390 3.654 20 0 CHADMN CCN(C(=O)c1cccc2c[nH]nc21)c1cccc(Cl)c1 ZINC000505533653 1122415602 /nfs/dbraw/zinc/41/56/02/1122415602.db2.gz NNSXFALJZLZXSV-UHFFFAOYSA-N 0 1 299.761 3.883 20 0 CHADMN Cc1ccoc1CN(Cc1ccc(F)cc1)C1CC1 ZINC000434984236 1122424833 /nfs/dbraw/zinc/42/48/33/1122424833.db2.gz VUFZUMNHICJZMF-UHFFFAOYSA-N 0 1 259.324 3.892 20 0 CHADMN COc1cc(C)c(CN2CC[C@@H]2c2ccccc2)cc1OC ZINC000434982992 1122425105 /nfs/dbraw/zinc/42/51/05/1122425105.db2.gz OGKHVQSAWGWFHQ-QGZVFWFLSA-N 0 1 297.398 3.959 20 0 CHADMN COc1cc(CN2CC[C@H]2c2ccccc2)cc(OC)c1 ZINC000434983289 1122425162 /nfs/dbraw/zinc/42/51/62/1122425162.db2.gz UJOPTKZCVLOWLT-SFHVURJKSA-N 0 1 283.371 3.651 20 0 CHADMN COc1ccsc1CN1CC[C@@H]1c1ccccc1 ZINC000434981538 1122425374 /nfs/dbraw/zinc/42/53/74/1122425374.db2.gz GLVLXSMGWCZMLA-CYBMUJFWSA-N 0 1 259.374 3.704 20 0 CHADMN Cc1ccsc1CN1CCN(C)C[C@@H]1c1ccccc1 ZINC000434991243 1122427762 /nfs/dbraw/zinc/42/77/62/1122427762.db2.gz LRWCQQFTDMNTLG-MRXNPFEDSA-N 0 1 286.444 3.545 20 0 CHADMN CC1CCC(NCc2noc(-c3ccccc3F)n2)CC1 ZINC000435036388 1122428812 /nfs/dbraw/zinc/42/88/12/1122428812.db2.gz KWKVJWWZXCBNQC-UHFFFAOYSA-N 0 1 289.354 3.544 20 0 CHADMN Cc1cc(N2CC[C@@H](C)O[C@@H](C)C2)c2cc(F)ccc2n1 ZINC000664467348 1122431107 /nfs/dbraw/zinc/43/11/07/1122431107.db2.gz OLSYWOUTXRKDBW-OLZOCXBDSA-N 0 1 288.366 3.686 20 0 CHADMN COc1ccccc1CN(C)Cc1ccc(F)c(C)c1 ZINC000505610906 1122437040 /nfs/dbraw/zinc/43/70/40/1122437040.db2.gz PBAQWWYWWFEHSV-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cccc(Cl)n1 ZINC000075619216 1122442091 /nfs/dbraw/zinc/44/20/91/1122442091.db2.gz KGWPZRRRDDLNIN-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN CCCCN(Cc1ccccc1)C(=O)c1[nH]ncc1Cl ZINC001187836384 1122444509 /nfs/dbraw/zinc/44/45/09/1122444509.db2.gz CMNLHPXKWJHMSP-UHFFFAOYSA-N 0 1 291.782 3.506 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1conc1C ZINC000353199398 1122454950 /nfs/dbraw/zinc/45/49/50/1122454950.db2.gz FEFZOVGHYISUFT-LCYFTJDESA-N 0 1 256.349 3.518 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCCCCF)n2)o1 ZINC000505666706 1122459685 /nfs/dbraw/zinc/45/96/85/1122459685.db2.gz YLAXYYNSZXLWMO-VOTSOKGWSA-N 0 1 281.356 3.718 20 0 CHADMN c1oc(-c2ccccc2)nc1CN1CC2CCC1CC2 ZINC000366627003 1122464229 /nfs/dbraw/zinc/46/42/29/1122464229.db2.gz CUDRDFNZBZCDEK-UHFFFAOYSA-N 0 1 268.360 3.716 20 0 CHADMN C[C@@H]1CN(Cc2cc3ccccc3o2)CC2(CCC2)O1 ZINC000514936789 1122465904 /nfs/dbraw/zinc/46/59/04/1122465904.db2.gz QODSPVBNDHJOJJ-CYBMUJFWSA-N 0 1 271.360 3.576 20 0 CHADMN COc1ccc(CN(C)C/C=C/c2ccccc2)c(OC)c1 ZINC000058888415 1122466425 /nfs/dbraw/zinc/46/64/25/1122466425.db2.gz DWWFDIBHBXEPSC-JXMROGBWSA-N 0 1 297.398 3.849 20 0 CHADMN Cc1c(Cl)cc(NC(=O)c2ccc[nH]2)c(O)c1Cl ZINC001188574205 1122468255 /nfs/dbraw/zinc/46/82/55/1122468255.db2.gz OYXZNZQUOVUWSH-UHFFFAOYSA-N 0 1 285.130 3.588 20 0 CHADMN C[C@H](N[C@H]1CCC[C@H]1C1CC1)c1nc(C(C)(C)C)no1 ZINC000515027732 1122470708 /nfs/dbraw/zinc/47/07/08/1122470708.db2.gz BPUDIHIFFYWDNB-DRZSPHRISA-N 0 1 277.412 3.596 20 0 CHADMN CCOc1cc(CN(C(C)C)C(C)C)c(Cl)cn1 ZINC001250304071 1122481939 /nfs/dbraw/zinc/48/19/39/1122481939.db2.gz ZHTWKFLTEWGSBQ-UHFFFAOYSA-N 0 1 270.804 3.753 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C[C@@H]1C=CCCC1 ZINC000515194743 1122482315 /nfs/dbraw/zinc/48/23/15/1122482315.db2.gz VOCGPZUDFPAPMU-GFCCVEGCSA-N 0 1 269.348 3.556 20 0 CHADMN COc1ccccc1/C=C\CN1CCC[C@@H]1c1ccc[nH]1 ZINC000435772188 1122488455 /nfs/dbraw/zinc/48/84/55/1122488455.db2.gz ZNTLKMQLBULIHJ-CTEOGUNLSA-N 0 1 282.387 3.874 20 0 CHADMN CCC(CC)(CC)SC[C@@H](C)CN1CCOCC1 ZINC001189127882 1122490464 /nfs/dbraw/zinc/49/04/64/1122490464.db2.gz OVDRJTDXCXTGBF-AWEZNQCLSA-N 0 1 273.486 3.657 20 0 CHADMN Cc1cccc2nc(NC(=O)c3c(C)cc(F)cc3C)[nH]c21 ZINC001189266331 1122494995 /nfs/dbraw/zinc/49/49/95/1122494995.db2.gz WRBLJUVLQIACEE-UHFFFAOYSA-N 0 1 297.333 3.880 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2snnc2C)c(C)s1 ZINC000930196990 1122502603 /nfs/dbraw/zinc/50/26/03/1122502603.db2.gz MJKYCQJAFOACOB-RKDXNWHRSA-N 0 1 281.450 3.937 20 0 CHADMN CC(C)n1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)nn1 ZINC000414123826 1129059287 /nfs/dbraw/zinc/05/92/87/1129059287.db2.gz JYEYBUCAXYWJCK-UHFFFAOYSA-N 0 1 296.161 3.709 20 0 CHADMN CC(C)C[N@@H+](Cc1c(Cl)cccc1C(=O)[O-])C1CC1 ZINC000515490803 1122504240 /nfs/dbraw/zinc/50/42/40/1122504240.db2.gz SQIUABAAIFQPTP-UHFFFAOYSA-N 0 1 281.783 3.659 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C(C)(C)C1 ZINC000515489322 1122504685 /nfs/dbraw/zinc/50/46/85/1122504685.db2.gz BIUBGDTYGJSDFY-SNVBAGLBSA-N 0 1 281.783 3.659 20 0 CHADMN CC(C)(C(=O)NOC1CCCC1)c1ccc(Cl)cc1 ZINC000775274355 1122508104 /nfs/dbraw/zinc/50/81/04/1122508104.db2.gz IVMSTMKTDGWOIR-UHFFFAOYSA-N 0 1 281.783 3.608 20 0 CHADMN Cc1nc2ccc(COc3ccc4c(c3)CCC4=O)cc2[nH]1 ZINC000436054052 1122510100 /nfs/dbraw/zinc/51/01/00/1122510100.db2.gz PEVFQPKQAVOSGR-UHFFFAOYSA-N 0 1 292.338 3.579 20 0 CHADMN CC(C)(C)[C@@H]1CN(C([O-])=[NH+]c2ccncc2)c2ccccc21 ZINC000436107888 1122513870 /nfs/dbraw/zinc/51/38/70/1122513870.db2.gz HWHRNPVFDJDXER-OAHLLOKOSA-N 0 1 295.386 3.685 20 0 CHADMN c1cc2c(nc1NCCOC1CCCCC1)CCCC2 ZINC000712301630 1122516091 /nfs/dbraw/zinc/51/60/91/1122516091.db2.gz ZRIBRYXGJZIHPM-UHFFFAOYSA-N 0 1 274.408 3.722 20 0 CHADMN CC(C)CC(CC(C)C)NC(=O)c1n[nH]c2ccccc21 ZINC000505773287 1122522917 /nfs/dbraw/zinc/52/29/17/1122522917.db2.gz YSINIZKIWPGXKB-UHFFFAOYSA-N 0 1 287.407 3.754 20 0 CHADMN Cc1cnc(CN2CCC[C@H]2c2ccc(C)c(C)c2)cn1 ZINC000505789222 1122535500 /nfs/dbraw/zinc/53/55/00/1122535500.db2.gz DRZSXDBLLBJXOI-SFHVURJKSA-N 0 1 281.403 3.739 20 0 CHADMN CCCCOCCN(Cc1ccccc1F)C1CC1 ZINC000515781693 1122541241 /nfs/dbraw/zinc/54/12/41/1122541241.db2.gz RBMYDRFIZKITFH-UHFFFAOYSA-N 0 1 265.372 3.607 20 0 CHADMN Cc1ccccc1[C@H]1CC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000515856144 1122545521 /nfs/dbraw/zinc/54/55/21/1122545521.db2.gz PCJUHJLHDZEYPT-INIZCTEOSA-N 0 1 295.382 3.683 20 0 CHADMN CCc1ccc(NC(=O)c2ccc(O)c(Cl)c2)cc1F ZINC000436481448 1122552450 /nfs/dbraw/zinc/55/24/50/1122552450.db2.gz ANBPGJWUVLHXQT-UHFFFAOYSA-N 0 1 293.725 3.999 20 0 CHADMN O[C@@H]1CCCC[C@H]1CSc1nc2ccc(Cl)cc2[nH]1 ZINC000436475860 1122554416 /nfs/dbraw/zinc/55/44/16/1122554416.db2.gz WWXBSFJFESRTMJ-TVQRCGJNSA-N 0 1 296.823 3.860 20 0 CHADMN COc1cc(CN(C)Cc2ccc(F)c(F)c2)ccc1C ZINC000436485127 1122555629 /nfs/dbraw/zinc/55/56/29/1122555629.db2.gz NZCGJAOGTTXUSR-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1cc2c(cc1Cl)OCCO2 ZINC001190864129 1122558248 /nfs/dbraw/zinc/55/82/48/1122558248.db2.gz CVBYPDOPSQHGRM-RYUDHWBXSA-N 0 1 295.810 3.874 20 0 CHADMN C[C@@H]1CN(Cc2cc(O)c(Cl)c(F)c2F)C2(CC2)C1 ZINC001250410705 1122560456 /nfs/dbraw/zinc/56/04/56/1122560456.db2.gz NGBBMHCTTQFCQN-QMMMGPOBSA-N 0 1 287.737 3.698 20 0 CHADMN CCN(Cc1cnc2cc(C)ccn12)Cc1ccccc1 ZINC000505852770 1122565537 /nfs/dbraw/zinc/56/55/37/1122565537.db2.gz AAZHFAQJIRZUSU-UHFFFAOYSA-N 0 1 279.387 3.665 20 0 CHADMN O=C(Nc1cc(C2CC2)ccn1)c1ccc(Cl)cc1O ZINC000436619818 1122567903 /nfs/dbraw/zinc/56/79/03/1122567903.db2.gz SQVHBIFQGCKBMX-UHFFFAOYSA-N 0 1 288.734 3.570 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)c2cscc2C)c1 ZINC000436655691 1122568074 /nfs/dbraw/zinc/56/80/74/1122568074.db2.gz GUBFKCVDUIKTER-UHFFFAOYSA-N 0 1 289.356 3.607 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)c2ccc(C)s2)c1 ZINC000436645143 1122568802 /nfs/dbraw/zinc/56/88/02/1122568802.db2.gz LPOHTJGTZRMYQX-UHFFFAOYSA-N 0 1 289.356 3.607 20 0 CHADMN COC(=O)/C(C)=C\CN[C@@H](c1ccccc1Cl)C(C)C ZINC000775434598 1122570415 /nfs/dbraw/zinc/57/04/15/1122570415.db2.gz OERMPGPROZNGRZ-HMVFGEFZSA-N 0 1 295.810 3.746 20 0 CHADMN C[C@H]1CC[C@]2(CCN(C(=O)c3ccc(O)c(Cl)c3)C2)C1 ZINC000436726145 1122574242 /nfs/dbraw/zinc/57/42/42/1122574242.db2.gz WMZYKHXPXZIEOS-ZBEGNZNMSA-N 0 1 293.794 3.698 20 0 CHADMN C[C@H]1CCN(C(=O)c2ccc(O)c(Cl)c2)CC12CCC2 ZINC000436714696 1122575195 /nfs/dbraw/zinc/57/51/95/1122575195.db2.gz GPLVWMJHIJCMDZ-NSHDSACASA-N 0 1 293.794 3.698 20 0 CHADMN COc1ccc([C@@H](C)[N@@H+](C)Cc2ccccc2C(=O)[O-])cc1 ZINC000516187328 1122577377 /nfs/dbraw/zinc/57/73/77/1122577377.db2.gz AIJBASIPSAGGDQ-CYBMUJFWSA-N 0 1 299.370 3.586 20 0 CHADMN O=C(NCc1ccccc1)c1c(O)cc(Cl)cc1Cl ZINC000436755143 1122579474 /nfs/dbraw/zinc/57/94/74/1122579474.db2.gz LUPZTZINTIGIIO-UHFFFAOYSA-N 0 1 296.153 3.629 20 0 CHADMN CCOc1ccccc1CN[C@H](c1ccccn1)C(C)C ZINC000775447247 1122584547 /nfs/dbraw/zinc/58/45/47/1122584547.db2.gz YQXGWKKPBPDUMJ-SFHVURJKSA-N 0 1 284.403 3.967 20 0 CHADMN O=C(c1ccc(F)cc1O)N1CCC[C@H](c2ccccc2)C1 ZINC000436854513 1122586724 /nfs/dbraw/zinc/58/67/24/1122586724.db2.gz SPSNDCYPPLBPGN-AWEZNQCLSA-N 0 1 299.345 3.551 20 0 CHADMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000516300420 1122586930 /nfs/dbraw/zinc/58/69/30/1122586930.db2.gz AGSVWTSYDFYVJF-JQWIXIFHSA-N 0 1 281.783 3.659 20 0 CHADMN c1ccc([C@@H]2COCCN2CC2CC3(CCC3)C2)cc1 ZINC001191244925 1122587455 /nfs/dbraw/zinc/58/74/55/1122587455.db2.gz PWBIMEOMGSXRKC-KRWDZBQOSA-N 0 1 271.404 3.640 20 0 CHADMN C[C@@H]1CCc2nc(C[N@H+]3CCCC[C@H]3C)sc2C1 ZINC000505893289 1122591366 /nfs/dbraw/zinc/59/13/66/1122591366.db2.gz CKWMQBBBCZDVAV-VXGBXAGGSA-N 0 1 264.438 3.642 20 0 CHADMN C[C@@H]1CCc2nc(CN3CCCC[C@H]3C)sc2C1 ZINC000505893289 1122591368 /nfs/dbraw/zinc/59/13/68/1122591368.db2.gz CKWMQBBBCZDVAV-VXGBXAGGSA-N 0 1 264.438 3.642 20 0 CHADMN Cc1csc(-c2noc(-c3ccc(Cl)cc3O)n2)n1 ZINC000436929011 1122595660 /nfs/dbraw/zinc/59/56/60/1122595660.db2.gz SYBDCUOXLOGQPW-UHFFFAOYSA-N 0 1 293.735 3.528 20 0 CHADMN Cc1ncoc1CN[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000894323323 1122595759 /nfs/dbraw/zinc/59/57/59/1122595759.db2.gz CYYITJUNOYFKMA-HWPZZCPQSA-N 0 1 274.339 3.535 20 0 CHADMN CCOc1c(Cl)cc(CN2CCC(C)CC2)cc1OC ZINC000505913061 1122600103 /nfs/dbraw/zinc/60/01/03/1122600103.db2.gz QYOSHUZBMWFRPD-UHFFFAOYSA-N 0 1 297.826 3.979 20 0 CHADMN COc1cccc(F)c1[C@@H](C)NC[C@H]1CC1(Cl)Cl ZINC000775458648 1122603182 /nfs/dbraw/zinc/60/31/82/1122603182.db2.gz MDNSUSLTYIOWPE-RKDXNWHRSA-N 0 1 292.181 3.679 20 0 CHADMN CC(C)CCOCC[N@@H+](C)Cc1cc2ccccc2o1 ZINC001191463417 1122603404 /nfs/dbraw/zinc/60/34/04/1122603404.db2.gz CRZWGKQEUPNXQL-UHFFFAOYSA-N 0 1 275.392 3.927 20 0 CHADMN COc1cccc(F)c1[C@@H](C)NC[C@@H]1CC1(Cl)Cl ZINC000775458642 1122603595 /nfs/dbraw/zinc/60/35/95/1122603595.db2.gz MDNSUSLTYIOWPE-BDAKNGLRSA-N 0 1 292.181 3.679 20 0 CHADMN Fc1ccccc1CN1CCC[C@H](OC2CCCC2)C1 ZINC001205568019 1122609119 /nfs/dbraw/zinc/60/91/19/1122609119.db2.gz UUCUMGMHSVLQKM-INIZCTEOSA-N 0 1 277.383 3.749 20 0 CHADMN C[C@]1(c2ccccc2)CC[C@H](N2CCO[C@@H]3CCC[C@H]32)C1 ZINC000437137866 1122615072 /nfs/dbraw/zinc/61/50/72/1122615072.db2.gz OLAIMGPVOLSUDI-MANSERQUSA-N 0 1 285.431 3.750 20 0 CHADMN CCCCCCNC(=O)Nc1cccc(Cl)c1O ZINC001191972537 1122625160 /nfs/dbraw/zinc/62/51/60/1122625160.db2.gz IWNFCCGZRRKODQ-UHFFFAOYSA-N 0 1 270.760 3.747 20 0 CHADMN C[C@@H](N(C)Cc1ccn(-c2ccc(F)cc2)n1)C1(C)CC1 ZINC000437520854 1122638177 /nfs/dbraw/zinc/63/81/77/1122638177.db2.gz YXSBHOWYWCJFKG-CYBMUJFWSA-N 0 1 287.382 3.632 20 0 CHADMN CC(C)c1cccc(NC(=O)CN(C)[C@@H](C)C2(C)CC2)c1 ZINC000437528379 1122639433 /nfs/dbraw/zinc/63/94/33/1122639433.db2.gz NVBIIEODTADIPT-AWEZNQCLSA-N 0 1 288.435 3.869 20 0 CHADMN CC1(C)CCC[C@H](CN2CCc3c(F)cccc3C2)O1 ZINC001192305558 1122639680 /nfs/dbraw/zinc/63/96/80/1122639680.db2.gz YANKALAMIXQQAX-CQSZACIVSA-N 0 1 277.383 3.532 20 0 CHADMN CCC(CC)n1ccc(CN2C[C@@H](C)CC[C@H]2C)n1 ZINC000437566367 1122640157 /nfs/dbraw/zinc/64/01/57/1122640157.db2.gz FTLDJKOMWLJUHD-UONOGXRCSA-N 0 1 263.429 3.865 20 0 CHADMN Cn1cccc1[C@@H]1CCCN1Cc1cc2c(cccc2F)[nH]1 ZINC000437580659 1122643794 /nfs/dbraw/zinc/64/37/94/1122643794.db2.gz UKPAGZCEUDDUFQ-SFHVURJKSA-N 0 1 297.377 3.983 20 0 CHADMN COC(=O)[C@@H](c1ccccc1C)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC001192499197 1122648461 /nfs/dbraw/zinc/64/84/61/1122648461.db2.gz BCJMTXDUNMZRSZ-CZUORRHYSA-N 0 1 289.419 3.577 20 0 CHADMN COC(=O)[C@@H](c1ccccc1C)N1C[C@H](C)CC(C)(C)C1 ZINC001192499197 1122648465 /nfs/dbraw/zinc/64/84/65/1122648465.db2.gz BCJMTXDUNMZRSZ-CZUORRHYSA-N 0 1 289.419 3.577 20 0 CHADMN Cc1cc(C)c(NC(=O)c2ccc(O)c(F)c2F)cc1C ZINC001192841586 1122660183 /nfs/dbraw/zinc/66/01/83/1122660183.db2.gz SBYQYODVPCUUDM-UHFFFAOYSA-N 0 1 291.297 3.848 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N(CCC1CC1)CC1CC1 ZINC000620628779 1129069538 /nfs/dbraw/zinc/06/95/38/1129069538.db2.gz OAXHEVNOQABPNU-UHFFFAOYSA-N 0 1 293.794 3.698 20 0 CHADMN Cn1c(Cl)cnc1CN(CC(C)(C)C)CC(C)(C)C ZINC000775558830 1122668146 /nfs/dbraw/zinc/66/81/46/1122668146.db2.gz NBMQHVQBOVFUCF-UHFFFAOYSA-N 0 1 285.863 3.968 20 0 CHADMN Cc1ccc(NC(=O)C[N@H+](C)C2CCC(C)CC2)c(F)c1 ZINC000620644167 1129070232 /nfs/dbraw/zinc/07/02/32/1129070232.db2.gz SYQMBRSHDRDZKI-UHFFFAOYSA-N 0 1 292.398 3.583 20 0 CHADMN Cc1ccc2cc(CN3CCOC4(CCCC4)C3)ccc2n1 ZINC000438092063 1122674293 /nfs/dbraw/zinc/67/42/93/1122674293.db2.gz HYVZVGJYMRBAKZ-UHFFFAOYSA-N 0 1 296.414 3.688 20 0 CHADMN CCC[N@@H+](Cc1ccc(C)c(C)c1)[C@H](CC)C(=O)OCC ZINC001193364071 1122686954 /nfs/dbraw/zinc/68/69/54/1122686954.db2.gz KLVIAIYIZVMEIQ-QGZVFWFLSA-N 0 1 291.435 3.857 20 0 CHADMN CCCN(Cc1ccc(C)c(C)c1)[C@H](CC)C(=O)OCC ZINC001193364071 1122686955 /nfs/dbraw/zinc/68/69/55/1122686955.db2.gz KLVIAIYIZVMEIQ-QGZVFWFLSA-N 0 1 291.435 3.857 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3ccncc3)c2)[C@@H](C)[C@@H](C)O1 ZINC000438359202 1122693284 /nfs/dbraw/zinc/69/32/84/1122693284.db2.gz PMMTWYPKRNNEKZ-OWCLPIDISA-N 0 1 296.414 3.746 20 0 CHADMN Cc1cc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)cc2cccnc12 ZINC000438360670 1122693326 /nfs/dbraw/zinc/69/33/26/1122693326.db2.gz WPIVBVXIPVORJB-ZNMIVQPWSA-N 0 1 284.403 3.541 20 0 CHADMN C[C@@H]1CN(Cc2csc3ccccc23)[C@H](C)[C@@H](C)O1 ZINC000438358314 1122693539 /nfs/dbraw/zinc/69/35/39/1122693539.db2.gz VAMQVBIEZCLHNO-JHJVBQTASA-N 0 1 275.417 3.899 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)[C@@H](C)[C@@H](C)O1 ZINC000438360928 1122694190 /nfs/dbraw/zinc/69/41/90/1122694190.db2.gz DSAYAINDPFBVEB-OWCLPIDISA-N 0 1 296.414 3.746 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)[C@H](C)[C@@H](C)O1 ZINC000438367645 1122694637 /nfs/dbraw/zinc/69/46/37/1122694637.db2.gz OPDBHOWUJCHQDI-IJLUTSLNSA-N 0 1 287.325 3.703 20 0 CHADMN CN(Cc1cccc(Cl)c1Cl)[C@H]1CCSC1 ZINC000506222659 1122699015 /nfs/dbraw/zinc/69/90/15/1122699015.db2.gz ZPQTWZKFJNXOBS-JTQLQIEISA-N 0 1 276.232 3.931 20 0 CHADMN COc1cnccc1[C@H](C)NCc1cc2c(cccc2F)[nH]1 ZINC000438477224 1122703629 /nfs/dbraw/zinc/70/36/29/1122703629.db2.gz KVANYBCERLRATG-NSHDSACASA-N 0 1 299.349 3.561 20 0 CHADMN CC[C@H]1CCN(Cc2nc(C(C)(C)C)co2)[C@H]1C ZINC001193604372 1122704682 /nfs/dbraw/zinc/70/46/82/1122704682.db2.gz GNDNDMVOFZHZOZ-RYUDHWBXSA-N 0 1 250.386 3.593 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2)CCO1 ZINC000506262056 1122707249 /nfs/dbraw/zinc/70/72/49/1122707249.db2.gz MFHGVWBPRWMDOM-HNNXBMFYSA-N 0 1 267.372 3.574 20 0 CHADMN C[C@H]1CN(Cc2cccc(-c3ccccc3)c2)CCO1 ZINC000506262056 1122707250 /nfs/dbraw/zinc/70/72/50/1122707250.db2.gz MFHGVWBPRWMDOM-HNNXBMFYSA-N 0 1 267.372 3.574 20 0 CHADMN CCC(CC)n1ccc(CN2CCC3(CCC3)C2)n1 ZINC000438528271 1122708108 /nfs/dbraw/zinc/70/81/08/1122708108.db2.gz AJNKLUAPRWUVCT-UHFFFAOYSA-N 0 1 261.413 3.620 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@@H](c2ccccc2)C1)c1ncn(C)n1 ZINC000438552773 1122709842 /nfs/dbraw/zinc/70/98/42/1122709842.db2.gz JCQFXCLKEYRRAO-USXIJHARSA-N 0 1 298.434 3.582 20 0 CHADMN C[C@@H](NCCC1CCCCC1)c1nc(C(C)(C)C)no1 ZINC000506277622 1122710045 /nfs/dbraw/zinc/71/00/45/1122710045.db2.gz REJJIPXICKHINP-GFCCVEGCSA-N 0 1 279.428 3.988 20 0 CHADMN Cc1cccc(CNCc2cnn(Cc3ccccc3)c2)c1 ZINC000079064687 1122712693 /nfs/dbraw/zinc/71/26/93/1122712693.db2.gz WGRFQJMJDHJVTG-UHFFFAOYSA-N 0 1 291.398 3.530 20 0 CHADMN CC(C)(C)C1CCN(C(=O)c2ccc(F)c(O)c2F)CC1 ZINC001193771152 1122714466 /nfs/dbraw/zinc/71/44/66/1122714466.db2.gz XKMLUGXUCMKPPU-UHFFFAOYSA-N 0 1 297.345 3.569 20 0 CHADMN O=C(Nc1ccccc1C(F)F)c1ccc(F)c(O)c1F ZINC001193783395 1122716626 /nfs/dbraw/zinc/71/66/26/1122716626.db2.gz AHYXEPAWFYCJLR-UHFFFAOYSA-N 0 1 299.223 3.860 20 0 CHADMN CC(C)CCC[C@H](C)NC(=O)c1ccc(F)c(O)c1F ZINC001193794145 1122717385 /nfs/dbraw/zinc/71/73/85/1122717385.db2.gz YZPZBFRNCQGFFM-JTQLQIEISA-N 0 1 285.334 3.615 20 0 CHADMN c1ccc([C@H]2C[C@@H]2CN2CCO[C@H](c3ccccc3)C2)cc1 ZINC000506328599 1122720228 /nfs/dbraw/zinc/72/02/28/1122720228.db2.gz VRQOBEFZMBZMGN-AQNXPRMDSA-N 0 1 293.410 3.864 20 0 CHADMN CC(C)(C)OC1CC(N2CCc3ccc(F)cc3C2)C1 ZINC000334829847 1122725162 /nfs/dbraw/zinc/72/51/62/1122725162.db2.gz XIZOWFNBASAYDH-UHFFFAOYSA-N 0 1 277.383 3.530 20 0 CHADMN c1ccc2c(c1)ccnc2CN[C@H](c1cccnc1)C1CC1 ZINC000894368288 1122733328 /nfs/dbraw/zinc/73/33/28/1122733328.db2.gz LBYXQDUAFHJYOP-IBGZPJMESA-N 0 1 289.382 3.871 20 0 CHADMN CC(C)N(Cc1ccco1)CC1=Cc2ccccc2OC1 ZINC000506415874 1122735771 /nfs/dbraw/zinc/73/57/71/1122735771.db2.gz KSALRERZYYWVDS-UHFFFAOYSA-N 0 1 283.371 3.966 20 0 CHADMN CCCN(CC/C=C/c1ccccc1)[C@H](C)C(=O)OCC ZINC001194031521 1122740927 /nfs/dbraw/zinc/74/09/27/1122740927.db2.gz UVMAPZAVRVOCEA-LRFDDAOPSA-N 0 1 289.419 3.754 20 0 CHADMN CCCN(CC/C=C\c1ccccc1)[C@@H](C)C(=O)OCC ZINC001194031523 1122741181 /nfs/dbraw/zinc/74/11/81/1122741181.db2.gz UVMAPZAVRVOCEA-OVHOFWQVSA-N 0 1 289.419 3.754 20 0 CHADMN C[N@@H+](CCc1c(F)cccc1Cl)Cc1ccccn1 ZINC000295122355 1122742977 /nfs/dbraw/zinc/74/29/77/1122742977.db2.gz IYBVNZQAIGGFPM-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN CN(CCc1c(F)cccc1Cl)Cc1ccccn1 ZINC000295122355 1122742981 /nfs/dbraw/zinc/74/29/81/1122742981.db2.gz IYBVNZQAIGGFPM-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN O=C(Nc1cc(O)c(F)c(F)c1)Oc1ccc(Cl)cc1 ZINC001194061561 1122745123 /nfs/dbraw/zinc/74/51/23/1122745123.db2.gz OUHYHNDZJNBUDX-UHFFFAOYSA-N 0 1 299.660 3.935 20 0 CHADMN CCN(CCOC)Cc1cnc(-c2ccc(C)cc2)s1 ZINC000506467571 1122748396 /nfs/dbraw/zinc/74/83/96/1122748396.db2.gz SZKZGFHXIIMEKQ-UHFFFAOYSA-N 0 1 290.432 3.587 20 0 CHADMN C[C@H](CSc1nc(-c2ccccc2)n[nH]1)C(F)(F)F ZINC000439035854 1122748584 /nfs/dbraw/zinc/74/85/84/1122748584.db2.gz ADCZVCBWODXWFI-MRVPVSSYSA-N 0 1 287.310 3.762 20 0 CHADMN Cc1sccc1CN(C)[C@@H](C)c1cccc(O)c1 ZINC000295493046 1122750769 /nfs/dbraw/zinc/75/07/69/1122750769.db2.gz XVGIJUDJLANCLX-NSHDSACASA-N 0 1 261.390 3.955 20 0 CHADMN FC(F)Cn1cc(CN2CCC[C@@H]2c2ccsc2)cn1 ZINC000295458125 1122750916 /nfs/dbraw/zinc/75/09/16/1122750916.db2.gz VRWLYYWAQBWEKT-CYBMUJFWSA-N 0 1 297.374 3.547 20 0 CHADMN c1ccc(CCCc2nc3cc4c(cc3[nH]2)OCC4)cc1 ZINC001250556811 1122754723 /nfs/dbraw/zinc/75/47/23/1122754723.db2.gz UDARNJNHPBKEKF-UHFFFAOYSA-N 0 1 278.355 3.673 20 0 CHADMN Cn1ccnc1[C@H](N[C@]1(C)CCCc2ccccc21)C1CC1 ZINC000638603312 1122764525 /nfs/dbraw/zinc/76/45/25/1122764525.db2.gz CMMWKSQBENVXCS-IEBWSBKVSA-N 0 1 295.430 3.713 20 0 CHADMN COC[C@@H]1CN([C@@H](C)c2ccc(C(C)C)cc2)C[C@H](C)O1 ZINC000439278331 1122767066 /nfs/dbraw/zinc/76/70/66/1122767066.db2.gz YRXTXZXLKBHCMX-MPGHIAIKSA-N 0 1 291.435 3.607 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC([C@H]3CCCO3)CC2)c1 ZINC000439280472 1122767225 /nfs/dbraw/zinc/76/72/25/1122767225.db2.gz CSFSYVBMJGOISU-MRXNPFEDSA-N 0 1 297.801 3.870 20 0 CHADMN Cc1ccc(OC(=O)N=c2[nH]sc3ncccc32)cc1 ZINC001194425556 1122774354 /nfs/dbraw/zinc/77/43/54/1122774354.db2.gz FZMAWKUNXHJZEE-UHFFFAOYSA-N 0 1 285.328 3.611 20 0 CHADMN CCCc1csc(C[N@@H+](C)C[C@H]2CC=CCC2)n1 ZINC000426358371 1122774610 /nfs/dbraw/zinc/77/46/10/1122774610.db2.gz GPRIRCJUXNCOLW-ZDUSSCGKSA-N 0 1 264.438 3.884 20 0 CHADMN CCCc1csc(CN(C)C[C@H]2CC=CCC2)n1 ZINC000426358371 1122774614 /nfs/dbraw/zinc/77/46/14/1122774614.db2.gz GPRIRCJUXNCOLW-ZDUSSCGKSA-N 0 1 264.438 3.884 20 0 CHADMN FC(F)(F)C[C@H]1CCN(Cc2cnc(C3CC3)s2)C1 ZINC000518683592 1122777577 /nfs/dbraw/zinc/77/75/77/1122777577.db2.gz RLMLPZXULITRMF-SECBINFHSA-N 0 1 290.354 3.795 20 0 CHADMN C[C@H]1CCc2nc(CN3CCS[C@H](C)CC3)sc2C1 ZINC000426383218 1122780120 /nfs/dbraw/zinc/78/01/20/1122780120.db2.gz AFBXPKTVIFKRBZ-NWDGAFQWSA-N 0 1 296.505 3.595 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1c(C)n[nH]c1C ZINC000426381900 1122780366 /nfs/dbraw/zinc/78/03/66/1122780366.db2.gz ZOJJWSZLQXSOSI-RAXLEYEMSA-N 0 1 269.392 3.562 20 0 CHADMN CC[C@@H](OCCN1CCC[C@](C)(F)C1)c1ccccc1 ZINC001194598934 1122785651 /nfs/dbraw/zinc/78/56/51/1122785651.db2.gz HVRVZUCJJRCEMX-SJORKVTESA-N 0 1 279.399 3.978 20 0 CHADMN CN(Cc1c[nH]nc1C(C)(C)C)Cc1cccc2[nH]ccc21 ZINC000426406094 1122785810 /nfs/dbraw/zinc/78/58/10/1122785810.db2.gz UBIWSQJLXAERKI-UHFFFAOYSA-N 0 1 296.418 3.821 20 0 CHADMN Cc1ccoc1CN(C)C[C@H]1CC2(CO1)CCCCC2 ZINC001194626064 1122785996 /nfs/dbraw/zinc/78/59/96/1122785996.db2.gz NFXSECZRIVTBMH-OAHLLOKOSA-N 0 1 277.408 3.759 20 0 CHADMN FC(F)n1c2ccccc2nc1CN1CC[C@H]2CCC[C@@H]21 ZINC000426455228 1122795939 /nfs/dbraw/zinc/79/59/39/1122795939.db2.gz BSAVNRIVMFWSLL-YPMHNXCESA-N 0 1 291.345 3.806 20 0 CHADMN c1csc(-c2cnc(CN3CC[C@H]4CCC[C@@H]43)o2)c1 ZINC000426453392 1122796896 /nfs/dbraw/zinc/79/68/96/1122796896.db2.gz GAPFOLYGFNZIEV-NEPJUHHUSA-N 0 1 274.389 3.778 20 0 CHADMN CC(C)Oc1cccc([C@H](C)NCc2cnsc2)c1 ZINC000712914783 1122810012 /nfs/dbraw/zinc/81/00/12/1122810012.db2.gz SFDVQKRFKWWYCP-LBPRGKRZSA-N 0 1 276.405 3.781 20 0 CHADMN CC[C@@H](C)N(C)Cc1csc(CCC(C)C)n1 ZINC000439963403 1122816158 /nfs/dbraw/zinc/81/61/58/1122816158.db2.gz MQEHNJHTYKMOQA-GFCCVEGCSA-N 0 1 254.443 3.962 20 0 CHADMN C[C@@H](CN([C@H](C)C(=O)OC(C)(C)C)C1CC1)C(C)(C)C ZINC001195044700 1122835037 /nfs/dbraw/zinc/83/50/37/1122835037.db2.gz BOSCRWVRTYWAEU-QWHCGFSZSA-N 0 1 283.456 3.863 20 0 CHADMN CCCC=Cc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000664795876 1122837435 /nfs/dbraw/zinc/83/74/35/1122837435.db2.gz YBJFIFMMPUVLMH-WAYWQWQTSA-N 0 1 268.320 3.735 20 0 CHADMN c1cc(CNCc2cnc(-c3ccncc3)s2)cs1 ZINC000440347549 1122840181 /nfs/dbraw/zinc/84/01/81/1122840181.db2.gz WCFBUZVUQDMLNO-UHFFFAOYSA-N 0 1 287.413 3.556 20 0 CHADMN CCc1nn(C)cc1CN1CC=C(c2ccc(C)cc2)CC1 ZINC000775645182 1122854917 /nfs/dbraw/zinc/85/49/17/1122854917.db2.gz YKWBNGAFDDBGBX-UHFFFAOYSA-N 0 1 295.430 3.580 20 0 CHADMN CCOc1cc(F)c(CN2CC[C@@H]3CCC[C@H]3C2)c(F)c1 ZINC001143568929 1122861399 /nfs/dbraw/zinc/86/13/99/1122861399.db2.gz PLSJCUZYPYSXBJ-STQMWFEESA-N 0 1 295.373 3.986 20 0 CHADMN CN(Cc1cccc(Cl)c1)Cc1ccc2c(n1)CCC2 ZINC000578733736 1122861513 /nfs/dbraw/zinc/86/15/13/1122861513.db2.gz AVYPYJXXBXULTL-UHFFFAOYSA-N 0 1 286.806 3.856 20 0 CHADMN CO[C@@H](CN1CC(C)(C)[C@H]1c1cccnc1)c1ccccc1 ZINC000664819032 1122861714 /nfs/dbraw/zinc/86/17/14/1122861714.db2.gz KAWGHZOFUANIIV-ZWKOTPCHSA-N 0 1 296.414 3.852 20 0 CHADMN Cc1nsc(C)c1CN1CCc2cc(C)ccc2C1 ZINC001195306464 1122862860 /nfs/dbraw/zinc/86/28/60/1122862860.db2.gz KREXLEDGBZLUHQ-UHFFFAOYSA-N 0 1 272.417 3.627 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1cc(C)cnc1Cl ZINC000894497520 1122863404 /nfs/dbraw/zinc/86/34/04/1122863404.db2.gz ZLYSCDYGOYSIJE-LBPRGKRZSA-N 0 1 272.845 3.617 20 0 CHADMN CC1(C)CN(CCCCCF)[C@@H]1c1cccnc1 ZINC000664822864 1122865488 /nfs/dbraw/zinc/86/54/88/1122865488.db2.gz XNKBFDCGJSDMHH-CQSZACIVSA-N 0 1 250.361 3.604 20 0 CHADMN CC(C)(C)c1coc(CN2CCC[C@H](C3CC3)C2)n1 ZINC000894523306 1122867841 /nfs/dbraw/zinc/86/78/41/1122867841.db2.gz VLHZFKRBOBRFCK-ZDUSSCGKSA-N 0 1 262.397 3.594 20 0 CHADMN CCCN1C(=O)N=NC1S[C@@H](C)c1ccccc1C ZINC000154120806 1129083272 /nfs/dbraw/zinc/08/32/72/1129083272.db2.gz GZKHCHXXGRRIGX-NSHDSACASA-N 0 1 277.393 3.555 20 0 CHADMN CCN(Cc1c[nH]c2ccccc12)Cc1[nH]nc(C)c1C ZINC000894531969 1122869630 /nfs/dbraw/zinc/86/96/30/1122869630.db2.gz DLJHNJOZKJYROE-UHFFFAOYSA-N 0 1 282.391 3.530 20 0 CHADMN Cn1cc(CNCc2ccc3sccc3c2)c(C2CC2)n1 ZINC000894532501 1122869717 /nfs/dbraw/zinc/86/97/17/1122869717.db2.gz RLKQGSCMMOUQCV-UHFFFAOYSA-N 0 1 297.427 3.802 20 0 CHADMN Cc1nc([C@@](C)(NC[C@H](C)C2CCCCC2)C2CC2)no1 ZINC000550139062 1122875743 /nfs/dbraw/zinc/87/57/43/1122875743.db2.gz QEODBUJCNHCTIV-SJCJKPOMSA-N 0 1 291.439 3.809 20 0 CHADMN C[C@H]1CCC[C@H](C)N(Cc2nc(C3CCCC3)no2)C1 ZINC000154257056 1129085191 /nfs/dbraw/zinc/08/51/91/1129085191.db2.gz KCDBSPBICDLNCC-STQMWFEESA-N 0 1 277.412 3.738 20 0 CHADMN c1cn(C2CC2)c(CN2CCC[C@@H](c3ccccc3)C2)n1 ZINC000894600203 1122877850 /nfs/dbraw/zinc/87/78/50/1122877850.db2.gz BJOLUSYVWJURPG-MRXNPFEDSA-N 0 1 281.403 3.598 20 0 CHADMN Fc1cc(F)c(F)c2[nH]c(-c3csc(Cl)n3)nc21 ZINC001250830673 1122883095 /nfs/dbraw/zinc/88/30/95/1122883095.db2.gz JPBQVKQIULLFPU-UHFFFAOYSA-N 0 1 289.669 3.757 20 0 CHADMN Oc1cccc2sc(CN3CCC(F)(F)CC3)cc21 ZINC000894630694 1122883193 /nfs/dbraw/zinc/88/31/93/1122883193.db2.gz SIQJZRZSBAPLBN-UHFFFAOYSA-N 0 1 283.343 3.838 20 0 CHADMN C[C@]1(Cc2cccc(Cl)c2)CCCN1Cc1cc[nH]n1 ZINC001195758093 1122884831 /nfs/dbraw/zinc/88/48/31/1122884831.db2.gz QHCLNRUPCIDPHI-MRXNPFEDSA-N 0 1 289.810 3.660 20 0 CHADMN C[C@@H]1CN(CCc2ccccc2Cl)CC2(CCC2)O1 ZINC001195758400 1122885683 /nfs/dbraw/zinc/88/56/83/1122885683.db2.gz RHRXHHLVOOMEHR-CYBMUJFWSA-N 0 1 279.811 3.526 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnc(F)cc2C)ccc1F ZINC000894665885 1122887957 /nfs/dbraw/zinc/88/79/57/1122887957.db2.gz CDDZZXBKPWBPDA-GFCCVEGCSA-N 0 1 276.330 3.827 20 0 CHADMN C[C@H](CSc1ccccc1)N(C)C/C=C\Cl ZINC001195851548 1122891179 /nfs/dbraw/zinc/89/11/79/1122891179.db2.gz KRUHIJCTAIIGOE-OJIASSBASA-N 0 1 255.814 3.852 20 0 CHADMN Cc1coc(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000894690496 1122893638 /nfs/dbraw/zinc/89/36/38/1122893638.db2.gz MDBBDFDHEDLXLC-NEPJUHHUSA-N 0 1 274.191 3.604 20 0 CHADMN COc1ccc([C@@H](NCc2occc2C)C2CC2)cc1 ZINC000266195130 1129085378 /nfs/dbraw/zinc/08/53/78/1129085378.db2.gz JNGXHCMWIQASNP-KRWDZBQOSA-N 0 1 271.360 3.838 20 0 CHADMN Cc1cnc(Cl)c(CN2CCC[C@]3(CCSC3)C2)c1 ZINC000894772500 1122903057 /nfs/dbraw/zinc/90/30/57/1122903057.db2.gz JFRDMOZESBAJOZ-HNNXBMFYSA-N 0 1 296.867 3.763 20 0 CHADMN CCn1cc([C@H](C)NCc2cc(C(C)(C)C)oc2C)cn1 ZINC000894762205 1122903673 /nfs/dbraw/zinc/90/36/73/1122903673.db2.gz DZDVLCGYKGCYLD-LBPRGKRZSA-N 0 1 289.423 3.953 20 0 CHADMN C[C@@H](N[C@H]1CCC(C)(C)C1)c1nc(C(C)(C)C)no1 ZINC000506943947 1122912860 /nfs/dbraw/zinc/91/28/60/1122912860.db2.gz JQAKDNVJTFJZNF-MNOVXSKESA-N 0 1 265.401 3.596 20 0 CHADMN COCc1ccccc1/C=C(\C)CN(C)Cc1ccco1 ZINC000506993745 1122917934 /nfs/dbraw/zinc/91/79/34/1122917934.db2.gz YUSPLJZPWCDPIX-RVDMUPIBSA-N 0 1 285.387 3.961 20 0 CHADMN Fc1ccc([C@H](NCCc2ccco2)c2ccccn2)cc1 ZINC000154399164 1129086957 /nfs/dbraw/zinc/08/69/57/1129086957.db2.gz JSVBQJGPDUIPPE-SFHVURJKSA-N 0 1 296.345 3.735 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1cc(F)c(F)c(F)c1 ZINC000507118399 1122927673 /nfs/dbraw/zinc/92/76/73/1122927673.db2.gz CFEOYKYPXTYPQT-CYBMUJFWSA-N 0 1 257.299 3.724 20 0 CHADMN CCN(Cc1cccn1C)Cc1ccc(Cl)cc1 ZINC000507131940 1122928679 /nfs/dbraw/zinc/92/86/79/1122928679.db2.gz NGOKHIJMUPDXAN-UHFFFAOYSA-N 0 1 262.784 3.701 20 0 CHADMN COc1cccnc1NC1=CC[C@@H](C(F)(F)F)CC1 ZINC001196767490 1122931962 /nfs/dbraw/zinc/93/19/62/1122931962.db2.gz LZKXUAPKMXDGPN-SECBINFHSA-N 0 1 272.270 3.748 20 0 CHADMN CC(C)N(Cc1cnn2ccccc12)Cc1cccc(F)c1 ZINC000507187875 1122934699 /nfs/dbraw/zinc/93/46/99/1122934699.db2.gz MVJFTHYUODDYNX-UHFFFAOYSA-N 0 1 297.377 3.884 20 0 CHADMN C[C@H](CN(C)Cc1ccncc1F)C1CCCCC1 ZINC001196818681 1122935191 /nfs/dbraw/zinc/93/51/91/1122935191.db2.gz NHYHEAXRFUGBOJ-CYBMUJFWSA-N 0 1 264.388 3.869 20 0 CHADMN Fc1cccc([C@H]2CCCN2Cc2cccc3c2OCO3)c1 ZINC000507173289 1122936255 /nfs/dbraw/zinc/93/62/55/1122936255.db2.gz LIFDHALEMCQBFK-MRXNPFEDSA-N 0 1 299.345 3.892 20 0 CHADMN COc1ccc(C[N@@H+](C)[C@H](C)c2ccco2)cc1C ZINC000507192747 1122937405 /nfs/dbraw/zinc/93/74/05/1122937405.db2.gz MLPLGNZXDJIYSG-CYBMUJFWSA-N 0 1 259.349 3.790 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2ccco2)cc1C ZINC000507192747 1122937408 /nfs/dbraw/zinc/93/74/08/1122937408.db2.gz MLPLGNZXDJIYSG-CYBMUJFWSA-N 0 1 259.349 3.790 20 0 CHADMN Cc1sccc1C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000507188252 1122937661 /nfs/dbraw/zinc/93/76/61/1122937661.db2.gz OWXNJRSQOVHQBH-UHFFFAOYSA-N 0 1 267.344 3.967 20 0 CHADMN Cc1sccc1CN(C)Cc1ccc(F)c(F)c1 ZINC000507188252 1122937664 /nfs/dbraw/zinc/93/76/64/1122937664.db2.gz OWXNJRSQOVHQBH-UHFFFAOYSA-N 0 1 267.344 3.967 20 0 CHADMN CCC1(C)CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000507197158 1122937693 /nfs/dbraw/zinc/93/76/93/1122937693.db2.gz OXDOVWXOZAPXHA-UHFFFAOYSA-N 0 1 288.435 3.754 20 0 CHADMN CCCN(Cc1conc1Cc1ccccc1)C1CC1 ZINC000507210830 1122939167 /nfs/dbraw/zinc/93/91/67/1122939167.db2.gz KXVYQWCBJYSGTA-UHFFFAOYSA-N 0 1 270.376 3.640 20 0 CHADMN CC[N@@H+](Cc1cc(C)c(Br)s1)C1CC1 ZINC000507231792 1122940131 /nfs/dbraw/zinc/94/01/31/1122940131.db2.gz RHDVDZZNUHYBKC-UHFFFAOYSA-N 0 1 274.227 3.803 20 0 CHADMN COc1ccc(Cl)cc1CN1CC[C@@H]1C(C)C ZINC000775762595 1122947318 /nfs/dbraw/zinc/94/73/18/1122947318.db2.gz BEJJLVUOCBTSFS-CYBMUJFWSA-N 0 1 253.773 3.579 20 0 CHADMN O=C([O-])CCCCC[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000519601009 1122949413 /nfs/dbraw/zinc/94/94/13/1122949413.db2.gz IWOANVYYMWNWQT-UHFFFAOYSA-N 0 1 295.810 3.949 20 0 CHADMN CCCCn1nc(C)c(CN2CC[C@H]2C(C)C)c1Cl ZINC000775765770 1122951264 /nfs/dbraw/zinc/95/12/64/1122951264.db2.gz RDYVKCIYINIXMX-AWEZNQCLSA-N 0 1 283.847 3.875 20 0 CHADMN Cc1cccc2ncc(C[N@H+](C)[C@H](C)c3cccs3)n21 ZINC000507434549 1122955243 /nfs/dbraw/zinc/95/52/43/1122955243.db2.gz SCFBAWIUUKGSPA-CYBMUJFWSA-N 0 1 285.416 3.897 20 0 CHADMN Cc1cccc2ncc(CN(C)[C@H](C)c3cccs3)n21 ZINC000507434549 1122955247 /nfs/dbraw/zinc/95/52/47/1122955247.db2.gz SCFBAWIUUKGSPA-CYBMUJFWSA-N 0 1 285.416 3.897 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccc(OC)c(F)c1 ZINC000507515811 1122960697 /nfs/dbraw/zinc/96/06/97/1122960697.db2.gz VEPZEWHRZVZOGQ-GFCCVEGCSA-N 0 1 288.366 3.643 20 0 CHADMN CCc1cc(-c2ccc3[nH]nnc3c2)ccc1Cl ZINC001205807332 1122963199 /nfs/dbraw/zinc/96/31/99/1122963199.db2.gz CVZWKHNQDMFSQA-UHFFFAOYSA-N 0 1 257.724 3.841 20 0 CHADMN CCc1cc(-c2ccc3nn[nH]c3c2)ccc1Cl ZINC001205807332 1122963201 /nfs/dbraw/zinc/96/32/01/1122963201.db2.gz CVZWKHNQDMFSQA-UHFFFAOYSA-N 0 1 257.724 3.841 20 0 CHADMN Cc1nc([C@H]2CCCN2CCc2ccccc2F)[nH]c1C ZINC001197710570 1122967747 /nfs/dbraw/zinc/96/77/47/1122967747.db2.gz KWPWKCOLRNCFBS-MRXNPFEDSA-N 0 1 287.382 3.545 20 0 CHADMN Cc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccncc1F ZINC000334188585 1122969304 /nfs/dbraw/zinc/96/93/04/1122969304.db2.gz HEGJFWUJGKRMOY-SJCJKPOMSA-N 0 1 270.351 3.867 20 0 CHADMN Cc1cccc([C@@H](C)NCc2ncccc2C)c1C ZINC000154625690 1129090002 /nfs/dbraw/zinc/09/00/02/1129090002.db2.gz SYIYKJBICRBNRV-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN C[C@@H](N[C@@H]1CCc2c1cccc2F)c1ccncc1F ZINC000334228649 1122973613 /nfs/dbraw/zinc/97/36/13/1122973613.db2.gz OQUOIKZIPOFQLF-QLJPJBMISA-N 0 1 274.314 3.698 20 0 CHADMN CCCOc1ncccc1CN[C@@H]1c2ccccc2C[C@H]1C ZINC000154700704 1129090510 /nfs/dbraw/zinc/09/05/10/1129090510.db2.gz BQWBLLCBMZRRCY-KDOFPFPSSA-N 0 1 296.414 3.894 20 0 CHADMN Brc1cncc([C@H]2CCCN2CC2CCC2)c1 ZINC001198002045 1122977698 /nfs/dbraw/zinc/97/76/98/1122977698.db2.gz VBZBKWZPLULRFX-CQSZACIVSA-N 0 1 295.224 3.781 20 0 CHADMN CCCc1ccc(CN2CCOC[C@@H]2CC2CC2)cc1 ZINC001198050829 1122978831 /nfs/dbraw/zinc/97/88/31/1122978831.db2.gz LWCBORGMZWFHRV-SFHVURJKSA-N 0 1 273.420 3.640 20 0 CHADMN CN(Cc1nccn1C1CC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000894854284 1122981157 /nfs/dbraw/zinc/98/11/57/1122981157.db2.gz GPJBMESUSFIFNJ-ZWKOTPCHSA-N 0 1 295.430 3.986 20 0 CHADMN Cc1cc([C@@H]2CCCCN2Cc2ccc(C)c(F)c2)n[nH]1 ZINC001198131454 1122981336 /nfs/dbraw/zinc/98/13/36/1122981336.db2.gz QECYGAZSHZGCDG-KRWDZBQOSA-N 0 1 287.382 3.893 20 0 CHADMN CC(C)Oc1c(F)c(F)ccc1-c1nccc2c1CCN2 ZINC001205835972 1122987867 /nfs/dbraw/zinc/98/78/67/1122987867.db2.gz JWZNMOPFBBIWQR-UHFFFAOYSA-N 0 1 290.313 3.782 20 0 CHADMN Cc1cc(C)nc(-c2nc3ccc(C(F)F)cc3[nH]2)n1 ZINC001251807582 1122990374 /nfs/dbraw/zinc/99/03/74/1122990374.db2.gz SXZDVEAVNIOZQB-UHFFFAOYSA-N 0 1 274.274 3.574 20 0 CHADMN C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@H](C)C1 ZINC000334345433 1122991021 /nfs/dbraw/zinc/99/10/21/1122991021.db2.gz OWFVCDMLGNOEGO-QWRGUYRKSA-N 0 1 291.395 3.747 20 0 CHADMN C[C@@H](c1nnc(-c2ccccc2F)s1)N1CC[C@H](C)C1 ZINC000334345433 1122991025 /nfs/dbraw/zinc/99/10/25/1122991025.db2.gz OWFVCDMLGNOEGO-QWRGUYRKSA-N 0 1 291.395 3.747 20 0 CHADMN Cc1ccc(C)c(C2CCN(Cc3cnc(C)cn3)CC2)c1 ZINC001198467291 1122993568 /nfs/dbraw/zinc/99/35/68/1122993568.db2.gz KURAPBXMLJYUQQ-UHFFFAOYSA-N 0 1 295.430 3.781 20 0 CHADMN CCC[C@@H](CN[C@H](c1cccc(C)c1)c1ccccn1)OC ZINC000638814155 1122994061 /nfs/dbraw/zinc/99/40/61/1122994061.db2.gz VKCCSTYOMIPTOJ-PKOBYXMFSA-N 0 1 298.430 3.884 20 0 CHADMN Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000154803465 1129092365 /nfs/dbraw/zinc/09/23/65/1129092365.db2.gz DIQKWWHHAURUFL-QGZVFWFLSA-N 0 1 287.382 3.513 20 0 CHADMN Cc1nn(C)c(C)c1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000154803465 1129092368 /nfs/dbraw/zinc/09/23/68/1129092368.db2.gz DIQKWWHHAURUFL-QGZVFWFLSA-N 0 1 287.382 3.513 20 0 CHADMN CN(CC=C(Cl)Cl)[C@H]1CCc2ccccc2C1 ZINC001198659342 1123004996 /nfs/dbraw/zinc/00/49/96/1123004996.db2.gz YKGIGJJIFJYZJC-ZDUSSCGKSA-N 0 1 270.203 3.795 20 0 CHADMN Cc1ccc(F)c(CN2CCCC[C@H]2[C@H]2CCCO2)c1F ZINC001198684701 1123006348 /nfs/dbraw/zinc/00/63/48/1123006348.db2.gz CXVMALSVSMTADM-JKSUJKDBSA-N 0 1 295.373 3.807 20 0 CHADMN CCc1ccc2c(c1)CCN(Cc1ccc(C)nc1C)C2 ZINC001198818731 1123012220 /nfs/dbraw/zinc/01/22/20/1123012220.db2.gz BIAIBFDGBXHHSX-UHFFFAOYSA-N 0 1 280.415 3.819 20 0 CHADMN CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1CC/C=C\c1ccccc1 ZINC001198873148 1123015118 /nfs/dbraw/zinc/01/51/18/1123015118.db2.gz YYYBESXPMDFNTK-TWUZIEDXSA-N 0 1 299.414 3.506 20 0 CHADMN C[C@@H](NCc1ccc2scnc2c1)c1ccccn1 ZINC001198935387 1123015735 /nfs/dbraw/zinc/01/57/35/1123015735.db2.gz RHLIMEQLXANOGC-LLVKDONJSA-N 0 1 269.373 3.542 20 0 CHADMN Fc1ccccc1CCNCc1c(Cl)cncc1Cl ZINC001198990530 1123018433 /nfs/dbraw/zinc/01/84/33/1123018433.db2.gz LTLXADATIMFYQQ-UHFFFAOYSA-N 0 1 299.176 3.860 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2OCC2CC2)CCC1(F)F ZINC000519727747 1123019348 /nfs/dbraw/zinc/01/93/48/1123019348.db2.gz CUWQKBMAXVBZMJ-CYBMUJFWSA-N 0 1 295.373 3.953 20 0 CHADMN C[C@H]1CN(Cc2ccccc2OCC2CC2)CCC1(F)F ZINC000519727755 1123019441 /nfs/dbraw/zinc/01/94/41/1123019441.db2.gz CUWQKBMAXVBZMJ-ZDUSSCGKSA-N 0 1 295.373 3.953 20 0 CHADMN CCN(Cc1cnn(C)c1)[C@H](C)c1cccc(Cl)c1 ZINC000155019569 1129095661 /nfs/dbraw/zinc/09/56/61/1129095661.db2.gz NNJRIIGBLCMQSZ-GFCCVEGCSA-N 0 1 277.799 3.657 20 0 CHADMN COc1ccc(CN2CCCCC[C@@H]2c2ccncc2)nc1 ZINC000775938422 1123021409 /nfs/dbraw/zinc/02/14/09/1123021409.db2.gz ANTCVHUVXRBQIH-GOSISDBHSA-N 0 1 297.402 3.603 20 0 CHADMN Cc1ccccc1CNCc1cc(Cl)cc2c1OCC2 ZINC000136385681 1123021903 /nfs/dbraw/zinc/02/19/03/1123021903.db2.gz ZCDYGVZCUCDVCR-UHFFFAOYSA-N 0 1 287.790 3.873 20 0 CHADMN CN(CC(=O)Nc1ccc(Cl)cc1Cl)C(C)(C)C ZINC000519770515 1123023395 /nfs/dbraw/zinc/02/33/95/1123023395.db2.gz JFMANTWMKFEECX-UHFFFAOYSA-N 0 1 289.206 3.662 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1nnc(C(C)(C)C)o1)C1CC1 ZINC000104966482 1123028488 /nfs/dbraw/zinc/02/84/88/1123028488.db2.gz BZFOSWZNNAMFOB-NWDGAFQWSA-N 0 1 279.428 3.766 20 0 CHADMN CC[C@H](F)CN1CCC[C@H]1c1ccc(OC)cc1OC ZINC000440711394 1123032412 /nfs/dbraw/zinc/03/24/12/1123032412.db2.gz JERZYTKFELNRRI-WFASDCNBSA-N 0 1 281.371 3.589 20 0 CHADMN O=C(N[C@@H]1CC=CCC1)c1ccc(Nc2ccncc2)cc1 ZINC000073826944 1123033775 /nfs/dbraw/zinc/03/37/75/1123033775.db2.gz HYIBTZCQOLGPJD-OAHLLOKOSA-N 0 1 293.370 3.664 20 0 CHADMN C[C@H]1CCCCN(Cc2c(Cl)nc3ccccn32)C1 ZINC000776000640 1123035083 /nfs/dbraw/zinc/03/50/83/1123035083.db2.gz YNSLTFJAUMHNLZ-LBPRGKRZSA-N 0 1 277.799 3.610 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCCc3c[nH]nc32)cc(C)c1F ZINC000334472740 1123035378 /nfs/dbraw/zinc/03/53/78/1123035378.db2.gz IFFZCVLQGLXBJX-SWLSCSKDSA-N 0 1 287.382 3.894 20 0 CHADMN CC(C)c1ncc(CN2CCOCC3(CCCC3)C2)s1 ZINC000776016766 1123036218 /nfs/dbraw/zinc/03/62/18/1123036218.db2.gz IBDBSXJYHZQIBB-UHFFFAOYSA-N 0 1 294.464 3.659 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@H]2c2cccc(OC)c2)[nH]1 ZINC001203246320 1123039165 /nfs/dbraw/zinc/03/91/65/1123039165.db2.gz FLLBCWMYDSZIRN-KRWDZBQOSA-N 0 1 299.418 3.626 20 0 CHADMN CCCOc1ccc([C@@H](C)NC[C@@H](F)CC)cc1OC ZINC000440787213 1123039922 /nfs/dbraw/zinc/03/99/22/1123039922.db2.gz VBRPTPDFVFWCJG-OCCSQVGLSA-N 0 1 283.387 3.883 20 0 CHADMN COc1ccc(C)cc1CN1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440947025 1123048052 /nfs/dbraw/zinc/04/80/52/1123048052.db2.gz BFBJKEKEZFIMJR-NVXWUHKLSA-N 0 1 289.419 3.536 20 0 CHADMN O=c1ccnc(O[C@H]2CCc3cc(Cl)c(Cl)cc32)[nH]1 ZINC001226324638 1123050085 /nfs/dbraw/zinc/05/00/85/1123050085.db2.gz SQMRKCSFDZRIER-NSHDSACASA-N 0 1 297.141 3.555 20 0 CHADMN Cc1cc(CNCc2cncs2)ccc1Br ZINC000164725365 1123050424 /nfs/dbraw/zinc/05/04/24/1123050424.db2.gz XNKOXDNHMXQAAH-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN CCOc1ccc2c(c1)CCN([C@@H](C)c1cccnc1)C2 ZINC000441062910 1123054710 /nfs/dbraw/zinc/05/47/10/1123054710.db2.gz LPTDPBVAVULOTR-AWEZNQCLSA-N 0 1 282.387 3.600 20 0 CHADMN CC(C)Cn1ccnc1CN[C@H]1CCCc2ccccc21 ZINC000164839354 1123055077 /nfs/dbraw/zinc/05/50/77/1123055077.db2.gz OJTDUVCFXQJKOA-KRWDZBQOSA-N 0 1 283.419 3.706 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCC(C)(C)C3)n[nH]2)cc1C ZINC000473893597 1123056455 /nfs/dbraw/zinc/05/64/55/1123056455.db2.gz JPXLFRBRZGSBFE-UHFFFAOYSA-N 0 1 297.402 3.566 20 0 CHADMN CC(C)c1cnc(CNCCc2cc(F)ccc2F)s1 ZINC001200863486 1123061871 /nfs/dbraw/zinc/06/18/71/1123061871.db2.gz CXEDCHNWTDXEKH-UHFFFAOYSA-N 0 1 296.386 3.877 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(F)cc2)c(F)c1 ZINC000228599870 1123063350 /nfs/dbraw/zinc/06/33/50/1123063350.db2.gz VBCDHCNUVMNAMR-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN COc1ccc(CN[C@H](C)c2cccc(F)c2)c(F)c1 ZINC000228599928 1123063751 /nfs/dbraw/zinc/06/37/51/1123063751.db2.gz XVURLKUOOBTYHJ-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN CCc1ccc2nc(-c3cc(OC)c(O)c(OC)c3)[nH]c2c1 ZINC000155064975 1129096667 /nfs/dbraw/zinc/09/66/67/1129096667.db2.gz OIDNVMUVYUINET-UHFFFAOYSA-N 0 1 298.342 3.515 20 0 CHADMN CCCCCCNC(=S)Nc1cc(O)c(F)c(F)c1 ZINC001200957629 1123069501 /nfs/dbraw/zinc/06/95/01/1123069501.db2.gz XUDDQXVEEDJHSQ-UHFFFAOYSA-N 0 1 288.363 3.537 20 0 CHADMN Cc1csc(CNCC2(OC(C)C)CCCCC2)n1 ZINC001201017845 1123069646 /nfs/dbraw/zinc/06/96/46/1123069646.db2.gz XOKAMGULNJHVRD-UHFFFAOYSA-N 0 1 282.453 3.669 20 0 CHADMN CSC[C@@H](C)N[C@H](c1cccc(C)c1)c1ccccn1 ZINC000925100021 1123073692 /nfs/dbraw/zinc/07/36/92/1123073692.db2.gz ZURJSIALOJZYBP-RHSMWYFYSA-N 0 1 286.444 3.821 20 0 CHADMN CC(C)CN1Cc2ccc(Br)cc2C[C@@H]1C ZINC001201482438 1123114710 /nfs/dbraw/zinc/11/47/10/1123114710.db2.gz KRICTVYUEIMJCR-NSHDSACASA-N 0 1 282.225 3.852 20 0 CHADMN CC[C@@H](C)CN(C)C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000520368640 1123080168 /nfs/dbraw/zinc/08/01/68/1123080168.db2.gz DJTBNYLYERSMOF-NVXWUHKLSA-N 0 1 290.451 3.574 20 0 CHADMN CCCC[C@H](O)CNCc1c(Cl)cccc1Cl ZINC001252078353 1123122526 /nfs/dbraw/zinc/12/25/26/1123122526.db2.gz OXASGXKKFOZLPJ-JTQLQIEISA-N 0 1 276.207 3.634 20 0 CHADMN Cc1ccc(Br)c(NC2=CCSCC2)n1 ZINC001201326089 1123086877 /nfs/dbraw/zinc/08/68/77/1123086877.db2.gz DAKZFXMOAYBCMU-UHFFFAOYSA-N 0 1 285.210 3.585 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000520428044 1123090725 /nfs/dbraw/zinc/09/07/25/1123090725.db2.gz JAHLUFHMIBFWCZ-ZYHUDNBSSA-N 0 1 275.783 3.850 20 0 CHADMN CCOc1cc(C)ccc1CNCc1cccc(COC)c1 ZINC001201398440 1123091315 /nfs/dbraw/zinc/09/13/15/1123091315.db2.gz KUYVZVIMQZBGLB-UHFFFAOYSA-N 0 1 299.414 3.830 20 0 CHADMN FC(F)(F)c1n[nH]c2c1CCN(CC1CCCCC1)C2 ZINC001201401424 1123092614 /nfs/dbraw/zinc/09/26/14/1123092614.db2.gz GXYAYFQFHUJYAM-CYBMUJFWSA-N 0 1 287.329 3.923 20 0 CHADMN Fc1ccc([C@@H]2COCCN2CC2CCCCC2)cc1 ZINC001201401547 1123092922 /nfs/dbraw/zinc/09/29/22/1123092922.db2.gz MKACJTRUOUACDS-KRWDZBQOSA-N 0 1 277.383 3.779 20 0 CHADMN Cc1ccc2[nH]c(NCc3cc(F)cc(F)c3)nc2c1 ZINC000082741390 1123094052 /nfs/dbraw/zinc/09/40/52/1123094052.db2.gz KUUTYBVTJCIDAD-UHFFFAOYSA-N 0 1 273.286 3.762 20 0 CHADMN C[C@@H](COc1ccccc1)NCc1cc(F)c(F)cc1F ZINC000776174614 1123101773 /nfs/dbraw/zinc/10/17/73/1123101773.db2.gz PYYHHKWTYDTFHF-NSHDSACASA-N 0 1 295.304 3.661 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccco2)no1 ZINC000123624580 1123102410 /nfs/dbraw/zinc/10/24/10/1123102410.db2.gz NFXRXHUYNQABPT-ZDUSSCGKSA-N 0 1 289.379 3.730 20 0 CHADMN CC(C)C[C@@H]1CCCCN1Cc1nc(-c2ccco2)no1 ZINC000123624580 1123102414 /nfs/dbraw/zinc/10/24/14/1123102414.db2.gz NFXRXHUYNQABPT-ZDUSSCGKSA-N 0 1 289.379 3.730 20 0 CHADMN CC(C)(C)CN1CCc2c(Br)cccc2C1 ZINC001201442707 1123105447 /nfs/dbraw/zinc/10/54/47/1123105447.db2.gz HWYLCIMVVNWCJV-UHFFFAOYSA-N 0 1 282.225 3.853 20 0 CHADMN C[C@H](C[C@H]1CCCO1)Nc1ccnc2cc(F)ccc21 ZINC000113247273 1123106115 /nfs/dbraw/zinc/10/61/15/1123106115.db2.gz MCVHHICWTNVUKL-DGCLKSJQSA-N 0 1 274.339 3.743 20 0 CHADMN CC(C)=CCC[C@@H](C)CN(C)CC(=O)OC(C)(C)C ZINC001201486750 1123107685 /nfs/dbraw/zinc/10/76/85/1123107685.db2.gz PYZHEFUGRGWBJE-CQSZACIVSA-N 0 1 269.429 3.642 20 0 CHADMN CC(C)[C@@H](N[C@@H]1CCC12CCC2)c1nc(C2CC2)no1 ZINC000328640308 1123108051 /nfs/dbraw/zinc/10/80/51/1123108051.db2.gz CLVMRXUQQSDENR-CHWSQXEVSA-N 0 1 275.396 3.566 20 0 CHADMN COCc1ccc(CN[C@H]2CCCc3ccccc32)o1 ZINC000268772036 1129099498 /nfs/dbraw/zinc/09/94/98/1129099498.db2.gz FLMDTBKHEHNETB-KRWDZBQOSA-N 0 1 271.360 3.593 20 0 CHADMN CCC(CC)CN1Cc2cnc(-c3ccccc3)nc2C1 ZINC001201535849 1123115494 /nfs/dbraw/zinc/11/54/94/1123115494.db2.gz PFVZLTKDWRLQKU-UHFFFAOYSA-N 0 1 281.403 3.895 20 0 CHADMN CCC[C@H](C)CN(Cc1cccnc1)Cc1ccccn1 ZINC001201551308 1123118852 /nfs/dbraw/zinc/11/88/52/1123118852.db2.gz TYRBTYTVFUMRMY-INIZCTEOSA-N 0 1 283.419 3.915 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1ccsc1Cl ZINC000336761164 1123119781 /nfs/dbraw/zinc/11/97/81/1123119781.db2.gz MYQDEOWUPKVKOO-ZCFIWIBFSA-N 0 1 257.708 3.832 20 0 CHADMN Oc1cccc2sc(CN3CC(CC(F)F)C3)cc21 ZINC000895055755 1123127794 /nfs/dbraw/zinc/12/77/94/1123127794.db2.gz XBUHVRCTUVANLM-UHFFFAOYSA-N 0 1 283.343 3.694 20 0 CHADMN CCCN1CCc2c(Br)cccc2[C@@H]1C ZINC000509462894 1123131802 /nfs/dbraw/zinc/13/18/02/1123131802.db2.gz JDVSSFKGIIAZQI-JTQLQIEISA-N 0 1 268.198 3.778 20 0 CHADMN CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1nc(C(C)C)no1 ZINC000189258861 1123137143 /nfs/dbraw/zinc/13/71/43/1123137143.db2.gz KSGPWUKDGYLPCM-QWHCGFSZSA-N 0 1 265.401 3.594 20 0 CHADMN CC[C@H]1CCCC[C@H]1N(C)Cc1nc(C(C)C)no1 ZINC000189258861 1123137146 /nfs/dbraw/zinc/13/71/46/1123137146.db2.gz KSGPWUKDGYLPCM-QWHCGFSZSA-N 0 1 265.401 3.594 20 0 CHADMN CC[C@H]1CO[C@H](C)C[N@H+]1CCOc1cccc2ccccc21 ZINC000520465893 1123138102 /nfs/dbraw/zinc/13/81/02/1123138102.db2.gz QGRRFULRMXIOSA-WBVHZDCISA-N 0 1 299.414 3.718 20 0 CHADMN CC[C@H]1CO[C@H](C)CN1CCOc1cccc2ccccc21 ZINC000520465893 1123138105 /nfs/dbraw/zinc/13/81/05/1123138105.db2.gz QGRRFULRMXIOSA-WBVHZDCISA-N 0 1 299.414 3.718 20 0 CHADMN CC[C@@H](C)Nc1cc(OCc2ccccc2)ccn1 ZINC001167998314 1123139005 /nfs/dbraw/zinc/13/90/05/1123139005.db2.gz IHEKUTSVICLUDG-CYBMUJFWSA-N 0 1 256.349 3.871 20 0 CHADMN C[C@@H](CCc1ccccc1)N1CCO[C@@H](c2ccco2)C1 ZINC000246951645 1123143834 /nfs/dbraw/zinc/14/38/34/1123143834.db2.gz NTJPSXOPPVYELD-MAUKXSAKSA-N 0 1 285.387 3.674 20 0 CHADMN Cc1scc(CN2CCc3nc[nH]c3C23CCC3)c1C ZINC000895069221 1123148874 /nfs/dbraw/zinc/14/88/74/1123148874.db2.gz SJVLANBYMQSTRO-UHFFFAOYSA-N 0 1 287.432 3.526 20 0 CHADMN CCCCCN(Cc1cccnc1)Cc1ccccn1 ZINC001201734710 1123149142 /nfs/dbraw/zinc/14/91/42/1123149142.db2.gz GTHUWVZKGMCXLF-UHFFFAOYSA-N 0 1 269.392 3.669 20 0 CHADMN CCOC(=O)[C@@H](CC)N1CCC[C@@H](c2ccccc2)CC1 ZINC000441491827 1123150611 /nfs/dbraw/zinc/15/06/11/1123150611.db2.gz OAEXCYVPPDZZFN-IAGOWNOFSA-N 0 1 289.419 3.598 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1nnc(-c2ccccc2)s1 ZINC000155339646 1129102123 /nfs/dbraw/zinc/10/21/23/1129102123.db2.gz KZQSXYNCQDJTBE-RYUDHWBXSA-N 0 1 273.405 3.578 20 0 CHADMN C[C@@H](N[C@H]1CCSc2c(Cl)cccc21)c1cn[nH]c1 ZINC000334325023 1123153744 /nfs/dbraw/zinc/15/37/44/1123153744.db2.gz FVCMBIOUTCEZRR-RNCFNFMXSA-N 0 1 293.823 3.951 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc[nH]2)c(Br)c1 ZINC001201842662 1123154967 /nfs/dbraw/zinc/15/49/67/1123154967.db2.gz OATWWARPVQSGTQ-LLVKDONJSA-N 0 1 293.208 3.936 20 0 CHADMN Clc1cccc(N2CCN(CC3CC3)CC2)c1Cl ZINC001201875994 1123156628 /nfs/dbraw/zinc/15/66/28/1123156628.db2.gz UNKCIBYNHSKFDB-UHFFFAOYSA-N 0 1 285.218 3.525 20 0 CHADMN CCc1ccc2c(c1)[C@@H](NCc1cccn1C1CC1)CCO2 ZINC001201920004 1123158446 /nfs/dbraw/zinc/15/84/46/1123158446.db2.gz LMPWVLHRBFISQR-SFHVURJKSA-N 0 1 296.414 3.999 20 0 CHADMN CCc1ccc2c(c1)[C@@H](NCc1cc(C)nc(C)c1)CCO2 ZINC001201920847 1123158736 /nfs/dbraw/zinc/15/87/36/1123158736.db2.gz VUEXLUTXCOSROM-SFHVURJKSA-N 0 1 296.414 3.874 20 0 CHADMN CC1(CN(Cc2ccccc2)Cc2ccccc2F)COC1 ZINC000441512315 1123164411 /nfs/dbraw/zinc/16/44/11/1123164411.db2.gz GOAVCPPKHJTEGB-UHFFFAOYSA-N 0 1 299.389 3.864 20 0 CHADMN CO[C@@H](C)C[N@@H+](Cc1cnc(C2CCC2)s1)C(C)C ZINC000353794016 1123170755 /nfs/dbraw/zinc/17/07/55/1123170755.db2.gz KFKPBOBXDXLWMV-LBPRGKRZSA-N 0 1 282.453 3.656 20 0 CHADMN CC[C@H](C)N(C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000093351500 1123174078 /nfs/dbraw/zinc/17/40/78/1123174078.db2.gz AHEDKYDATAWIKC-QMMMGPOBSA-N 0 1 296.321 3.763 20 0 CHADMN c1cncc(CN(Cc2cccnc2)CC2CCCC2)c1 ZINC001202167596 1123180630 /nfs/dbraw/zinc/18/06/30/1123180630.db2.gz PXSPGRVWGSBAEP-UHFFFAOYSA-N 0 1 281.403 3.669 20 0 CHADMN CNc1ccc(-c2nc3cc(C)cc(C)c3[nH]2)cc1 ZINC000228612754 1123184362 /nfs/dbraw/zinc/18/43/62/1123184362.db2.gz GKGXZVIVSHMJOZ-UHFFFAOYSA-N 0 1 251.333 3.888 20 0 CHADMN Cc1cccc(C)c1NC(=O)Nc1ccc(F)c(F)c1O ZINC001202210914 1123187628 /nfs/dbraw/zinc/18/76/28/1123187628.db2.gz QWONBBJTWIZKNI-UHFFFAOYSA-N 0 1 292.285 3.931 20 0 CHADMN Cc1cc(F)cc(CN2CCC[C@H](C(F)(F)F)C2)c1 ZINC001143586986 1123191355 /nfs/dbraw/zinc/19/13/55/1123191355.db2.gz YOTXDDFVLLSWDB-LBPRGKRZSA-N 0 1 275.289 3.908 20 0 CHADMN Cc1cc(-c2ccc3nc[nH]c3c2)ccc1O[C@@H]1CCOC1 ZINC000665134943 1123191536 /nfs/dbraw/zinc/19/15/36/1123191536.db2.gz SFGFYQVJMLQPPM-OAHLLOKOSA-N 0 1 294.354 3.706 20 0 CHADMN Cc1nn(C)cc1CN[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000148873888 1123193373 /nfs/dbraw/zinc/19/33/73/1123193373.db2.gz CHHSSIRGLFFYDY-SNVBAGLBSA-N 0 1 297.324 3.598 20 0 CHADMN Cc1ccccc1O[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001202347803 1123197388 /nfs/dbraw/zinc/19/73/88/1123197388.db2.gz KWPJQMKVTCLCIL-ZDUSSCGKSA-N 0 1 287.325 3.791 20 0 CHADMN COc1cccc(-c2ccc(CN(C)C)c(F)c2)c1OC ZINC000665144143 1123200068 /nfs/dbraw/zinc/20/00/68/1123200068.db2.gz HINHSRSKCVZKSW-UHFFFAOYSA-N 0 1 289.350 3.572 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2ccc3c(n2)CCC3)n1 ZINC000334516148 1123201078 /nfs/dbraw/zinc/20/10/78/1123201078.db2.gz XWMGQQPBPHYOGM-LJQANCHMSA-N 0 1 293.414 3.611 20 0 CHADMN COCC[C@H](N[C@@H]1CCc2cc(C)ccc21)c1ccco1 ZINC000780744065 1123204983 /nfs/dbraw/zinc/20/49/83/1123204983.db2.gz JQJZEECRKONFQM-SJORKVTESA-N 0 1 285.387 3.943 20 0 CHADMN Cc1ccc(CN(Cc2cnc(F)c(C)c2)CC2CC2)cn1 ZINC000895104250 1123205470 /nfs/dbraw/zinc/20/54/70/1123205470.db2.gz HAFDNJWUGOCRAO-UHFFFAOYSA-N 0 1 299.393 3.645 20 0 CHADMN FC(F)(F)CCC[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001202424552 1123205681 /nfs/dbraw/zinc/20/56/81/1123205681.db2.gz JHOHVQWDBMHITF-LBPRGKRZSA-N 0 1 272.314 3.604 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN1CCC(C)CC1 ZINC000338913578 1123216581 /nfs/dbraw/zinc/21/65/81/1123216581.db2.gz VYMFZEIBZDZKKE-UHFFFAOYSA-N 0 1 276.405 3.943 20 0 CHADMN CC(C)Oc1ccccc1-c1cc(C(F)(F)F)n[nH]1 ZINC000665178106 1123218897 /nfs/dbraw/zinc/21/88/97/1123218897.db2.gz VRYLJGAKQCTSKT-UHFFFAOYSA-N 0 1 270.254 3.883 20 0 CHADMN CC(C)CCN[C@H](C)c1nc(C2CCCCC2)no1 ZINC000185241462 1123220757 /nfs/dbraw/zinc/22/07/57/1123220757.db2.gz RMSZGBCJKHAELT-GFCCVEGCSA-N 0 1 265.401 3.814 20 0 CHADMN CN(C)Cc1cc(-c2cccc3c2COCC3)ccc1F ZINC000665200118 1123227973 /nfs/dbraw/zinc/22/79/73/1123227973.db2.gz JCVHBUICCVUQDU-UHFFFAOYSA-N 0 1 285.362 3.627 20 0 CHADMN CC(C)CC[C@H]1CC[C@H](NCc2nn(C)cc2Cl)C1 ZINC001202475486 1123230592 /nfs/dbraw/zinc/23/05/92/1123230592.db2.gz WQHPIBPBHFTFDD-STQMWFEESA-N 0 1 283.847 3.768 20 0 CHADMN c1cc(CNCc2ccc3ccccc3c2)n(CC2CC2)n1 ZINC000850080276 1123240803 /nfs/dbraw/zinc/24/08/03/1123240803.db2.gz QPKKKTYRPNRWJS-UHFFFAOYSA-N 0 1 291.398 3.736 20 0 CHADMN C[C@H](N[C@H]1CCC(C)(C)c2ccccc21)c1ccncn1 ZINC000334527621 1123242542 /nfs/dbraw/zinc/24/25/42/1123242542.db2.gz INUOFJYEEUFEPA-GUYCJALGSA-N 0 1 281.403 3.940 20 0 CHADMN C[C@@H](Sc1c[nH]nn1)c1ccc(Cl)c(Cl)c1 ZINC000156011537 1129108329 /nfs/dbraw/zinc/10/83/29/1129108329.db2.gz GSPFRIGTHHCCSZ-ZCFIWIBFSA-N 0 1 274.176 3.965 20 0 CHADMN Cc1noc([C@@H]2CCCCN2CC2CCC(F)(F)CC2)n1 ZINC000334539403 1123246789 /nfs/dbraw/zinc/24/67/89/1123246789.db2.gz BAZIOXFCEHJJER-ZDUSSCGKSA-N 0 1 299.365 3.731 20 0 CHADMN Cc1cc(CN[C@@H]2CC[C@@H](C)c3ccsc32)on1 ZINC000334542057 1123249559 /nfs/dbraw/zinc/24/95/59/1123249559.db2.gz GODAYNJHUHMOHR-NOZJJQNGSA-N 0 1 262.378 3.773 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2CCC1(C)C)c1ccncn1 ZINC000334545734 1123250312 /nfs/dbraw/zinc/25/03/12/1123250312.db2.gz MMSWPLJYACPKKV-SUMWQHHRSA-N 0 1 281.403 3.841 20 0 CHADMN COCc1csc(CN[C@@H](C)c2ccc(Cl)nc2)c1 ZINC000850272512 1123250488 /nfs/dbraw/zinc/25/04/88/1123250488.db2.gz STMWBQVHACTGDL-JTQLQIEISA-N 0 1 296.823 3.794 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@H](C)c2cnc(C)cn2)c1 ZINC000427834688 1123254919 /nfs/dbraw/zinc/25/49/19/1123254919.db2.gz YIVDHIFVJNVBAO-LSDHHAIUSA-N 0 1 269.392 3.814 20 0 CHADMN C1=C[C@@H](NCc2csc(-c3ccsc3)n2)CC1 ZINC000850358186 1123255572 /nfs/dbraw/zinc/25/55/72/1123255572.db2.gz JNYKINCPZYJRRY-LLVKDONJSA-N 0 1 262.403 3.680 20 0 CHADMN O[C@@H]1C[C@H](NCc2ccc(Cl)cc2)c2ccccc21 ZINC000850371181 1123258482 /nfs/dbraw/zinc/25/84/82/1123258482.db2.gz VIZAPEPPQKQGNE-JKSUJKDBSA-N 0 1 273.763 3.608 20 0 CHADMN CCc1cccc(F)c1CN[C@@H]1C[C@H](O)c2ccccc21 ZINC000850374588 1123260587 /nfs/dbraw/zinc/26/05/87/1123260587.db2.gz MWMANLUSPIMXMK-MSOLQXFVSA-N 0 1 285.362 3.656 20 0 CHADMN Cc1cc(CN[C@H]2CCc3ccc(O)cc32)cnc1Cl ZINC000850386980 1123261196 /nfs/dbraw/zinc/26/11/96/1123261196.db2.gz NUUKUQNAXOHBHC-HNNXBMFYSA-N 0 1 288.778 3.526 20 0 CHADMN Cn1ncc(C2CCC2)c1CNCc1cc(Cl)cs1 ZINC000850391576 1123262192 /nfs/dbraw/zinc/26/21/92/1123262192.db2.gz VHNAHEQBQRYCEZ-UHFFFAOYSA-N 0 1 295.839 3.692 20 0 CHADMN Clc1nccc(CNCC2=CCCC2)c1Cl ZINC000850395700 1123262923 /nfs/dbraw/zinc/26/29/23/1123262923.db2.gz KCXPRYRPQIACBX-UHFFFAOYSA-N 0 1 257.164 3.588 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(Cl)c(F)c1)c1cnn(C)c1 ZINC000311568381 1129110010 /nfs/dbraw/zinc/11/00/10/1129110010.db2.gz FEQGYQXKVKJFLL-UWVGGRQHSA-N 0 1 281.762 3.624 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc2cnccc2o1)c1ccoc1 ZINC000850445601 1123268167 /nfs/dbraw/zinc/26/81/67/1123268167.db2.gz FYXVFBYFVPJRCM-MNOVXSKESA-N 0 1 256.305 3.833 20 0 CHADMN C[C@@H](NCc1c(F)cc(F)cc1F)C(C)(C)C(F)F ZINC000850471035 1123272057 /nfs/dbraw/zinc/27/20/57/1123272057.db2.gz LQJVEHJBYWQZKM-SSDOTTSWSA-N 0 1 281.268 3.873 20 0 CHADMN CCc1nc(CN[C@H](C)Cc2ccc3c(c2)CCCC3)co1 ZINC000850473206 1123272435 /nfs/dbraw/zinc/27/24/35/1123272435.db2.gz VPNLDAJKJAURCI-CQSZACIVSA-N 0 1 298.430 3.837 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CCS[C@H](C(C)C)C1 ZINC000428212918 1123281584 /nfs/dbraw/zinc/28/15/84/1123281584.db2.gz PIVSIDBJOPQOLQ-AWEZNQCLSA-N 0 1 282.453 3.680 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2C[C@@H](O)c3ccccc32)cs1 ZINC000850526057 1123282338 /nfs/dbraw/zinc/28/23/38/1123282338.db2.gz OOGQNUQSASSJQT-IUIKQTSFSA-N 0 1 273.401 3.886 20 0 CHADMN Cc1cccc(NC[C@H]2CCO[C@@H]2c2ccccc2)n1 ZINC000428221541 1123282753 /nfs/dbraw/zinc/28/27/53/1123282753.db2.gz KVNBEWUUDPPNFE-NVXWUHKLSA-N 0 1 268.360 3.580 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2C[C@H](O)c3ccccc32)c(C)o1 ZINC000850528629 1123282787 /nfs/dbraw/zinc/28/27/87/1123282787.db2.gz MFWGJFWKPCLJEG-JECHBYEQSA-N 0 1 271.360 3.725 20 0 CHADMN CC(C)C[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1ccccn1 ZINC000850529414 1123283938 /nfs/dbraw/zinc/28/39/38/1123283938.db2.gz QZORBPBGTCANNN-QYZOEREBSA-N 0 1 296.414 3.937 20 0 CHADMN Fc1ccc2nc(CN3CC[C@H]3Cc3ccccc3)oc2c1 ZINC000466968368 1123284708 /nfs/dbraw/zinc/28/47/08/1123284708.db2.gz BXUNADHWDAHXCV-HNNXBMFYSA-N 0 1 296.345 3.784 20 0 CHADMN Cc1cc(F)c(CN2CC[C@@H](c3cccnc3)C2)c(F)c1 ZINC000520814342 1123284748 /nfs/dbraw/zinc/28/47/48/1123284748.db2.gz YIUSUHUGXHOKRE-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN CCc1nc(C)c(CN2CCCC[C@H]2c2cccn2C)o1 ZINC000428237031 1123287579 /nfs/dbraw/zinc/28/75/79/1123287579.db2.gz HTYOKVPVLKXBDD-HNNXBMFYSA-N 0 1 287.407 3.611 20 0 CHADMN Cc1c(-c2nc(C3(N)CCCCC3)no2)ccn1C(C)C ZINC000335072244 1123293525 /nfs/dbraw/zinc/29/35/25/1123293525.db2.gz VYGFSHOSPFJFGM-UHFFFAOYSA-N 0 1 288.395 3.546 20 0 CHADMN CC[C@H](NCc1cn2ccnc2s1)c1ccccc1F ZINC000895147980 1123293894 /nfs/dbraw/zinc/29/38/94/1123293894.db2.gz XYTSAPFQPDNIRA-AWEZNQCLSA-N 0 1 289.379 3.776 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cccnc2Cl)c1C ZINC000850579108 1123296374 /nfs/dbraw/zinc/29/63/74/1123296374.db2.gz RWJHCHZCXQBZEW-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@H](NC1CC(C)(C)C1)c1nc(Br)cs1 ZINC000850577277 1123296512 /nfs/dbraw/zinc/29/65/12/1123296512.db2.gz XQWMLYXQNCRJCV-ZETCQYMHSA-N 0 1 289.242 3.745 20 0 CHADMN C[C@@H](O)[C@H](N[C@@H](C)c1ccc(Cl)nc1)c1ccccc1 ZINC000850585513 1123296593 /nfs/dbraw/zinc/29/65/93/1123296593.db2.gz YVAZWWSXHCJMKR-OZVIIMIRSA-N 0 1 290.794 3.508 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2ccc3ccccc3c2)no1 ZINC000109509787 1123298048 /nfs/dbraw/zinc/29/80/48/1123298048.db2.gz HHKQMLLHKJWZTK-LBPRGKRZSA-N 0 1 281.359 3.950 20 0 CHADMN Cc1n[nH]cc1CN[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000113346081 1123299284 /nfs/dbraw/zinc/29/92/84/1123299284.db2.gz JUTPJWJJFOUYCN-ZDUSSCGKSA-N 0 1 296.201 3.802 20 0 CHADMN C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000074353282 1123300822 /nfs/dbraw/zinc/30/08/22/1123300822.db2.gz RHJZVNGZDDMFGM-CXAGYDPISA-N 0 1 295.386 3.744 20 0 CHADMN C[C@H]1C[C@@H](NCc2ccc(F)cn2)c2ccccc21 ZINC000335120563 1123304982 /nfs/dbraw/zinc/30/49/82/1123304982.db2.gz WLTLNNUVAQOWAE-MEDUHNTESA-N 0 1 256.324 3.559 20 0 CHADMN CC(C)(C)OC1CC(NCc2nc(C(C)(C)C)cs2)C1 ZINC000156449280 1129113298 /nfs/dbraw/zinc/11/32/98/1129113298.db2.gz NAANATQGHFDOST-UHFFFAOYSA-N 0 1 296.480 3.876 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)C[C@@H]1n1ccnc1 ZINC000156486581 1129113335 /nfs/dbraw/zinc/11/33/35/1129113335.db2.gz QOXUSAWAKSGGEN-BBRMVZONSA-N 0 1 289.810 3.620 20 0 CHADMN Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000428249787 1123316321 /nfs/dbraw/zinc/31/63/21/1123316321.db2.gz USRWQWHNVKVUAO-CABCVRRESA-N 0 1 298.434 3.615 20 0 CHADMN Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2nnc(C(C)C)[nH]2)C1 ZINC000428249787 1123316327 /nfs/dbraw/zinc/31/63/27/1123316327.db2.gz USRWQWHNVKVUAO-CABCVRRESA-N 0 1 298.434 3.615 20 0 CHADMN CCn1ccnc1CN1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000366947836 1123319020 /nfs/dbraw/zinc/31/90/20/1123319020.db2.gz YXWRCKQXEKFPEI-NVXWUHKLSA-N 0 1 283.419 3.671 20 0 CHADMN CCCCc1noc([C@@H](C)N2CC[C@H](C3CCC3)C2)n1 ZINC000665286105 1123320155 /nfs/dbraw/zinc/32/01/55/1123320155.db2.gz FGEDTKJDQXZGHT-OCCSQVGLSA-N 0 1 277.412 3.595 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@H]1CCc2sc(Cl)cc21 ZINC000335183511 1123324492 /nfs/dbraw/zinc/32/44/92/1123324492.db2.gz YJUBRDVCCDXCHT-UFBFGSQYSA-N 0 1 295.839 3.782 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H](C3CCC3)C2)cs1 ZINC000665286499 1123326674 /nfs/dbraw/zinc/32/66/74/1123326674.db2.gz MYRXBCWCUWSDIX-CYBMUJFWSA-N 0 1 264.438 3.889 20 0 CHADMN c1sc(C2CC2)nc1CN1CC[C@H](C2CCC2)C1 ZINC000665288770 1123330312 /nfs/dbraw/zinc/33/03/12/1123330312.db2.gz XJQYXRZPJRMUKT-ZDUSSCGKSA-N 0 1 262.422 3.643 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000442864972 1123344142 /nfs/dbraw/zinc/34/41/42/1123344142.db2.gz DXDWBNYQLWELEC-BXUZGUMPSA-N 0 1 287.432 3.860 20 0 CHADMN CCC(C)(C)[C@@H]1CCCN1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442882765 1123346439 /nfs/dbraw/zinc/34/64/39/1123346439.db2.gz SKIYIAUBIDSBOL-LBPRGKRZSA-N 0 1 289.345 3.829 20 0 CHADMN CC[C@@]1(C)CN([C@@H]2CCCc3ccc(F)cc32)CCO1 ZINC000442878569 1123347247 /nfs/dbraw/zinc/34/72/47/1123347247.db2.gz GLCDVHVXIUNKHG-SJORKVTESA-N 0 1 277.383 3.704 20 0 CHADMN c1cnc2cccc(CSc3nc(C4CC4)n[nH]3)c2c1 ZINC000634535717 1129116288 /nfs/dbraw/zinc/11/62/88/1129116288.db2.gz ZBLOTSNIFOYEGE-UHFFFAOYSA-N 0 1 282.372 3.523 20 0 CHADMN c1cnc2cccc(CSc3n[nH]c(C4CC4)n3)c2c1 ZINC000634535717 1129116289 /nfs/dbraw/zinc/11/62/89/1129116289.db2.gz ZBLOTSNIFOYEGE-UHFFFAOYSA-N 0 1 282.372 3.523 20 0 CHADMN CO[C@H](C)CN[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000443208442 1123364187 /nfs/dbraw/zinc/36/41/87/1123364187.db2.gz BMUVNKLOBUAJHF-ACJLOTCBSA-N 0 1 296.370 3.542 20 0 CHADMN Cc1cnc(CN(C)CC23CC4CC(CC(C4)C2)C3)o1 ZINC000338939094 1123364250 /nfs/dbraw/zinc/36/42/50/1123364250.db2.gz WNWGXECINQWMDC-UHFFFAOYSA-N 0 1 274.408 3.631 20 0 CHADMN Cc1ccc(C)c(Cc2noc(CN3[C@H](C)CC[C@@H]3C)n2)c1 ZINC000443213329 1123364642 /nfs/dbraw/zinc/36/46/42/1123364642.db2.gz HEPDXAMCZUZPMX-GASCZTMLSA-N 0 1 299.418 3.650 20 0 CHADMN Cc1ccc(F)cc1-c1noc(CN2[C@@H](C)CC[C@@H]2C)n1 ZINC000443217337 1123365110 /nfs/dbraw/zinc/36/51/10/1123365110.db2.gz PLVFRAQAQXCRHL-RYUDHWBXSA-N 0 1 289.354 3.557 20 0 CHADMN Cc1cc(Cl)ccc1C[N@H+]1[C@H](C)CC[C@H](C(=O)[O-])[C@@H]1C ZINC000851708513 1123372528 /nfs/dbraw/zinc/37/25/28/1123372528.db2.gz HDRSFRPAGRDDEV-XUJVJEKNSA-N 0 1 295.810 3.722 20 0 CHADMN CC(C)Cc1ccc(C[N@@H+]([C@@H](C)C(=O)[O-])C2CCC2)cc1 ZINC000851708124 1123372566 /nfs/dbraw/zinc/37/25/66/1123372566.db2.gz RVKBQMFVARLDLA-AWEZNQCLSA-N 0 1 289.419 3.713 20 0 CHADMN CCc1nc([C@@H](C)N(C)c2ccc3ccccc3c2)n[nH]1 ZINC000851721449 1123374180 /nfs/dbraw/zinc/37/41/80/1123374180.db2.gz KXRODKZLUQTFLB-GFCCVEGCSA-N 0 1 280.375 3.718 20 0 CHADMN O[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C2(CCC2)C1 ZINC000335514130 1123374679 /nfs/dbraw/zinc/37/46/79/1123374679.db2.gz ZQRQVNGLSGIJND-CQSZACIVSA-N 0 1 299.336 3.585 20 0 CHADMN COC(CCN1Cc2ccccc2-c2ccccc2C1)OC ZINC000851747162 1123377979 /nfs/dbraw/zinc/37/79/79/1123377979.db2.gz RFXKVRSDLWTCTN-UHFFFAOYSA-N 0 1 297.398 3.678 20 0 CHADMN CC1(C)OC[C@@H](CCN2CC[C@@H]2c2ccc(Cl)cc2)O1 ZINC000851799787 1123381566 /nfs/dbraw/zinc/38/15/66/1123381566.db2.gz FHBOTQYHKUCSIS-HUUCEWRRSA-N 0 1 295.810 3.628 20 0 CHADMN CCOc1ccc(CNCc2cccc(CC)c2)o1 ZINC000895177624 1123385178 /nfs/dbraw/zinc/38/51/78/1123385178.db2.gz GWMMRPNUTSUBLI-UHFFFAOYSA-N 0 1 259.349 3.531 20 0 CHADMN CCc1cnccc1[C@@H](C)NCC=C(Cl)Cl ZINC000851921666 1123388542 /nfs/dbraw/zinc/38/85/42/1123388542.db2.gz YMROBLFABGWQSX-SECBINFHSA-N 0 1 259.180 3.614 20 0 CHADMN CC1(C)CCN(CC=C(Cl)Cl)CCS1 ZINC000851996376 1123392638 /nfs/dbraw/zinc/39/26/38/1123392638.db2.gz OHUZTWVQJSNMSR-UHFFFAOYSA-N 0 1 254.226 3.523 20 0 CHADMN CCn1ncc(CN([C@@H](C)c2ccccc2)C2CCCC2)n1 ZINC000852034343 1123394460 /nfs/dbraw/zinc/39/44/60/1123394460.db2.gz FRWXUDPOWDMFLV-HNNXBMFYSA-N 0 1 298.434 3.804 20 0 CHADMN C[C@]1(F)CCCN(CCc2nsc3ccccc32)C1 ZINC000852095534 1123396794 /nfs/dbraw/zinc/39/67/94/1123396794.db2.gz ANXLADKUPAQVGA-HNNXBMFYSA-N 0 1 278.396 3.663 20 0 CHADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C/C=C\Cl ZINC000852128292 1123398557 /nfs/dbraw/zinc/39/85/57/1123398557.db2.gz KLBKHPJXSWYJGJ-JVBZPZKUSA-N 0 1 284.190 3.962 20 0 CHADMN CCCCc1[nH]n(-c2cccc3ncccc32)c(=O)c1C ZINC000634590699 1129119125 /nfs/dbraw/zinc/11/91/25/1129119125.db2.gz HKMZTRFYMFZDIO-GFCCVEGCSA-N 0 1 281.359 3.764 20 0 CHADMN CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2C2OCCO2)cc1 ZINC000110502059 1123401539 /nfs/dbraw/zinc/40/15/39/1123401539.db2.gz YKKCRCSSHVCHNZ-QGZVFWFLSA-N 0 1 289.419 3.537 20 0 CHADMN O=C([O-])[C@H]1CCCC[N@H+]1Cc1cccc(C2CCCC2)c1 ZINC000665331112 1123403015 /nfs/dbraw/zinc/40/30/15/1123403015.db2.gz MWQXDBYTMDWXHK-QGZVFWFLSA-N 0 1 287.403 3.783 20 0 CHADMN CC[C@H](c1ccccc1)N(CC)Cc1cc(C)n(C)n1 ZINC000487430804 1123404594 /nfs/dbraw/zinc/40/45/94/1123404594.db2.gz PFZFKHAZEIYWOL-QGZVFWFLSA-N 0 1 271.408 3.702 20 0 CHADMN O[C@@H](CCN1CC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000852466431 1123405466 /nfs/dbraw/zinc/40/54/66/1123405466.db2.gz CUXAMBCWAZFRMY-MSOLQXFVSA-N 0 1 285.362 3.696 20 0 CHADMN C[C@H](CC(C)(C)c1ccccc1)N[C@@H](C)c1csnn1 ZINC000398432751 1123405773 /nfs/dbraw/zinc/40/57/73/1123405773.db2.gz ULWUUUFQMKEQIA-OLZOCXBDSA-N 0 1 289.448 3.945 20 0 CHADMN Clc1ncccc1CN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000852594936 1123409726 /nfs/dbraw/zinc/40/97/26/1123409726.db2.gz FARXGONPRYASLI-UKRRQHHQSA-N 0 1 294.826 3.516 20 0 CHADMN ClC(Cl)=CCN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000852595603 1123409735 /nfs/dbraw/zinc/40/97/35/1123409735.db2.gz IQFNEFCXUAPBJD-NEPJUHHUSA-N 0 1 278.223 3.587 20 0 CHADMN C[C@H](c1cccc(Cl)c1)N(C)Cc1cccn1C ZINC000156933622 1129119959 /nfs/dbraw/zinc/11/99/59/1129119959.db2.gz FNNZWIJEQLXCDW-GFCCVEGCSA-N 0 1 262.784 3.872 20 0 CHADMN C[C@@H](c1ccccc1)N1N=C2c3ccccc3CC[C@@H]2C1=O ZINC000634599343 1129120046 /nfs/dbraw/zinc/12/00/46/1129120046.db2.gz GMOLHAXCYCNIJV-GUYCJALGSA-N 0 1 290.366 3.557 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccc3c(c2)CCCO3)nc1 ZINC000852779594 1123414842 /nfs/dbraw/zinc/41/48/42/1123414842.db2.gz HJDTWTXLNWPFDS-AWEZNQCLSA-N 0 1 296.414 3.820 20 0 CHADMN CC1=C[C@@H](C)C[C@H](CN(C)Cc2nccs2)C1 ZINC000428279094 1123415479 /nfs/dbraw/zinc/41/54/79/1123415479.db2.gz VDHNVBMZQUMKAR-YPMHNXCESA-N 0 1 250.411 3.567 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H](C)c2ccc3c(c2)CCCO3)cn1 ZINC000852782917 1123415876 /nfs/dbraw/zinc/41/58/76/1123415876.db2.gz XCDQMSCFNWGRAC-KBPBESRZSA-N 0 1 297.402 3.522 20 0 CHADMN CCn1cc(CN[C@@H]2C[C@@H](C)Sc3sccc32)cn1 ZINC000353946927 1123416191 /nfs/dbraw/zinc/41/61/91/1123416191.db2.gz JXAOMWQQCIRHMY-ZWNOBZJWSA-N 0 1 293.461 3.680 20 0 CHADMN CC12CC(C1)CN2C[C@H](O)c1ccc(Cl)cc1Cl ZINC000852785871 1123416174 /nfs/dbraw/zinc/41/61/74/1123416174.db2.gz ILLHTGDGZHWNBV-IMXVTNBVSA-N 0 1 286.202 3.511 20 0 CHADMN CCCCCC[C@H](CC)CN(C)C(=O)c1ccc(CN)o1 ZINC000852870877 1123416864 /nfs/dbraw/zinc/41/68/64/1123416864.db2.gz RYOJPMKFEZSHJX-AWEZNQCLSA-N 0 1 294.439 3.807 20 0 CHADMN Cc1cc(CNC2(c3ccc(F)cc3)CC2)cc(Cl)n1 ZINC000797599975 1123420188 /nfs/dbraw/zinc/42/01/88/1123420188.db2.gz AGLZZQRMYKGGKL-UHFFFAOYSA-N 0 1 290.769 3.961 20 0 CHADMN Clc1cccc(C2(NCc3ccns3)CCC2)c1 ZINC000639285888 1123422519 /nfs/dbraw/zinc/42/25/19/1123422519.db2.gz LFUPGXNGACUDGB-UHFFFAOYSA-N 0 1 278.808 3.966 20 0 CHADMN CC(C)[C@@H]1CCc2[nH]n(-c3ccncc3Cl)c(=O)c2C1 ZINC000634608930 1129120806 /nfs/dbraw/zinc/12/08/06/1129120806.db2.gz QPHRDBQUYBJGAL-GHMZBOCLSA-N 0 1 291.782 3.510 20 0 CHADMN COc1c(O)cccc1CN(C)[C@H]1CCCc2ccccc21 ZINC000543702425 1123428040 /nfs/dbraw/zinc/42/80/40/1123428040.db2.gz RZNDCGWEHQVOFQ-KRWDZBQOSA-N 0 1 297.398 3.910 20 0 CHADMN CCCCCC[C@](C)(CC)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853220347 1123428161 /nfs/dbraw/zinc/42/81/61/1123428161.db2.gz LADWURJIYWPZTJ-WFASDCNBSA-N 0 1 281.400 3.796 20 0 CHADMN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCc1cc(C)no1 ZINC000631074755 1123429511 /nfs/dbraw/zinc/42/95/11/1123429511.db2.gz HTTWQMIYOVEDKB-IAQYHMDHSA-N 0 1 294.782 3.502 20 0 CHADMN C[C@H](CCc1ccccc1)C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000665350171 1123430378 /nfs/dbraw/zinc/43/03/78/1123430378.db2.gz FCGGCHFWUGMZJU-OAHLLOKOSA-N 0 1 291.435 3.688 20 0 CHADMN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1CCOC(C)(C)C ZINC000111278432 1123437034 /nfs/dbraw/zinc/43/70/34/1123437034.db2.gz WDUWYCKOBFNCQO-VYDXJSESSA-N 0 1 291.435 3.652 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1coc(-c2c(F)cccc2F)n1 ZINC000443614569 1123445189 /nfs/dbraw/zinc/44/51/89/1123445189.db2.gz DYKAKCJDQXJVMJ-WDEREUQCSA-N 0 1 292.329 3.850 20 0 CHADMN Cc1nc(CN([C@@H](C)C2CC2)C2CC2)c(C)s1 ZINC000443627832 1123449718 /nfs/dbraw/zinc/44/97/18/1123449718.db2.gz LCNDSTUPPBDVFL-VIFPVBQESA-N 0 1 250.411 3.523 20 0 CHADMN Cc1nc(CN(C)CC2CCCCC2)c(C)s1 ZINC000443635879 1123454050 /nfs/dbraw/zinc/45/40/50/1123454050.db2.gz ZJHSVFFBINCWJM-UHFFFAOYSA-N 0 1 252.427 3.772 20 0 CHADMN c1nc(CN2[C@@H]3CC[C@H]2CC(c2ccccc2)C3)co1 ZINC000338957187 1123457243 /nfs/dbraw/zinc/45/72/43/1123457243.db2.gz FPQVRQQLCKRLPU-ZXFUBFMLSA-N 0 1 268.360 3.585 20 0 CHADMN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1CC(C)C1 ZINC000338957269 1123457607 /nfs/dbraw/zinc/45/76/07/1123457607.db2.gz MQDSDJHOBNHEQN-UHFFFAOYSA-N 0 1 289.810 3.594 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)c2csc(Cl)c2)c1 ZINC000335888166 1123459097 /nfs/dbraw/zinc/45/90/97/1123459097.db2.gz XZFNWBDSPZYIBF-UHFFFAOYSA-N 0 1 295.747 3.562 20 0 CHADMN [O-]c1cccc(C[NH2+][C@H]2CCCC(F)(F)C2)c1Cl ZINC000335889346 1123459108 /nfs/dbraw/zinc/45/91/08/1123459108.db2.gz OUSTYQDBIJJSGO-JTQLQIEISA-N 0 1 275.726 3.713 20 0 CHADMN Cc1cccc(CN[C@H]2CCSc3ccccc32)n1 ZINC000051573789 1123463765 /nfs/dbraw/zinc/46/37/65/1123463765.db2.gz SJWWREHVUBLULL-HNNXBMFYSA-N 0 1 270.401 3.717 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccc(OC)c(F)c2)o1 ZINC000051723545 1123470551 /nfs/dbraw/zinc/47/05/51/1123470551.db2.gz YWNRQAKAJDBAIS-NSHDSACASA-N 0 1 277.339 3.841 20 0 CHADMN CC[C@@H](C)Oc1ccc(-c2noc([C@@H](CC)NC)n2)cc1 ZINC000854141609 1123471235 /nfs/dbraw/zinc/47/12/35/1123471235.db2.gz IDCDNGPYRRRVJO-BXUZGUMPSA-N 0 1 289.379 3.584 20 0 CHADMN COCc1csc(CNCc2cc(O)cc(Cl)c2)c1 ZINC000895376995 1123471408 /nfs/dbraw/zinc/47/14/08/1123471408.db2.gz IBDWISISEQUKKP-UHFFFAOYSA-N 0 1 297.807 3.543 20 0 CHADMN CC[C@H](NC)c1nc(-c2cccc(C(C)(F)F)c2)no1 ZINC000854160007 1123471689 /nfs/dbraw/zinc/47/16/89/1123471689.db2.gz DYDSZZYYHFKQKF-NSHDSACASA-N 0 1 281.306 3.519 20 0 CHADMN CC(C)CC(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000111989853 1123472859 /nfs/dbraw/zinc/47/28/59/1123472859.db2.gz KIQSREGEIRDXHK-VIFPVBQESA-N 0 1 280.755 3.867 20 0 CHADMN Cc1ccc(CN2CCC(c3ccon3)CC2)c(F)c1 ZINC000639330951 1123472977 /nfs/dbraw/zinc/47/29/77/1123472977.db2.gz YZKDFGVKRZSSSA-UHFFFAOYSA-N 0 1 274.339 3.502 20 0 CHADMN COc1ccc([C@@H](C)NCc2oc(C(C)C)nc2C)cc1 ZINC000428288879 1123475045 /nfs/dbraw/zinc/47/50/45/1123475045.db2.gz HZWLMEIBXPJRTL-GFCCVEGCSA-N 0 1 288.391 3.966 20 0 CHADMN CN(C)Cc1cc(-c2cncc(OC(F)F)c2)ccc1F ZINC000854197589 1123475545 /nfs/dbraw/zinc/47/55/45/1123475545.db2.gz OQPCODHAWXKMCH-UHFFFAOYSA-N 0 1 296.292 3.551 20 0 CHADMN CN(C)Cc1cc(-c2ccc([C@H](O)C3CC3)cc2)ccc1F ZINC000854197587 1123475628 /nfs/dbraw/zinc/47/56/28/1123475628.db2.gz OQLYUNZDTQQZQG-IBGZPJMESA-N 0 1 299.389 3.998 20 0 CHADMN Cc1ccnc(NCCOc2ccccc2Cl)c1 ZINC000443715278 1123479955 /nfs/dbraw/zinc/47/99/55/1123479955.db2.gz DSFYIDBSLMPHQP-UHFFFAOYSA-N 0 1 262.740 3.534 20 0 CHADMN Cc1ccc([C@H](C)N(C)C(=O)c2cc(C(C)C)[nH]n2)cc1 ZINC000052512628 1123484245 /nfs/dbraw/zinc/48/42/45/1123484245.db2.gz VMSKZUZPCJSGQJ-ZDUSSCGKSA-N 0 1 285.391 3.675 20 0 CHADMN FC[C@H]1CCCN(Cc2cc3c(ccnc3Cl)o2)C1 ZINC000895544217 1123490184 /nfs/dbraw/zinc/49/01/84/1123490184.db2.gz JTQSHKQSDHUXIY-SNVBAGLBSA-N 0 1 282.746 3.663 20 0 CHADMN Cc1cc(F)c(CN2CC[C@@H](c3nccs3)C2)c(F)c1 ZINC000895584182 1123494224 /nfs/dbraw/zinc/49/42/24/1123494224.db2.gz QIYACEGEQVBUSQ-LLVKDONJSA-N 0 1 294.370 3.719 20 0 CHADMN Fc1cc(Cl)cc(CN2CC[C@H](c3nccs3)C2)c1 ZINC000895580998 1123495402 /nfs/dbraw/zinc/49/54/02/1123495402.db2.gz JXCSXIDUAOHVEK-NSHDSACASA-N 0 1 296.798 3.925 20 0 CHADMN Clc1csc(CN2CC[C@H](c3nccs3)C2)c1 ZINC000895582406 1123495557 /nfs/dbraw/zinc/49/55/57/1123495557.db2.gz UBLMDMJOHOXILI-VIFPVBQESA-N 0 1 284.837 3.848 20 0 CHADMN C/C=C(\C)C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000854819468 1123496202 /nfs/dbraw/zinc/49/62/02/1123496202.db2.gz XJTLVKNFQUTSHQ-CYNRKNSPSA-N 0 1 291.782 3.702 20 0 CHADMN CCCC[C@](C)(F)C(=O)Nc1ccc(F)c(F)c1O ZINC000854903761 1123499520 /nfs/dbraw/zinc/49/95/20/1123499520.db2.gz YOGXKLQBWYJENM-ZDUSSCGKSA-N 0 1 275.270 3.527 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H]2CCC[C@H](C(C)(C)C)CC2)c1C ZINC000474282916 1123499980 /nfs/dbraw/zinc/49/99/80/1123499980.db2.gz LHEFURCQEUJUFP-KBPBESRZSA-N 0 1 291.439 3.751 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1cnn(-c2ccccc2)n1)C1CC1 ZINC000729545905 1123500098 /nfs/dbraw/zinc/50/00/98/1123500098.db2.gz YZKNFJJWLUSVSX-GJZGRUSLSA-N 0 1 298.434 3.666 20 0 CHADMN CCC[C@@H]1CN(C[C@H](OC(C)C)c2ccccc2)CCO1 ZINC000428293237 1123501501 /nfs/dbraw/zinc/50/15/01/1123501501.db2.gz HBIWSMQLYMGTHD-MSOLQXFVSA-N 0 1 291.435 3.654 20 0 CHADMN CN(Cc1cnc[nH]1)C(=O)C=C1CCC(C(C)(C)C)CC1 ZINC000855136015 1123507261 /nfs/dbraw/zinc/50/72/61/1123507261.db2.gz LBPVEODCYHVMHG-UHFFFAOYSA-N 0 1 289.423 3.531 20 0 CHADMN CC(C)[C@H]1CCCN([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000114730093 1123507423 /nfs/dbraw/zinc/50/74/23/1123507423.db2.gz HRBZBVSYZIQOTA-STQMWFEESA-N 0 1 277.412 3.766 20 0 CHADMN FC(F)c1noc(CNC2CCC3(CCCC3)CC2)n1 ZINC000895723637 1123507911 /nfs/dbraw/zinc/50/79/11/1123507911.db2.gz ABZWGMCDZBUDSP-UHFFFAOYSA-N 0 1 285.338 3.600 20 0 CHADMN F[C@@H]1CCCC[C@@H]1NCc1cnc(CC(F)(F)F)s1 ZINC000895746275 1123510065 /nfs/dbraw/zinc/51/00/65/1123510065.db2.gz JYOVXEGKWCDHKI-ZJUUUORDSA-N 0 1 296.333 3.618 20 0 CHADMN C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@H](C)c1ncco1 ZINC000895766357 1123510652 /nfs/dbraw/zinc/51/06/52/1123510652.db2.gz SEHABBHKMYQOQL-GHMZBOCLSA-N 0 1 298.308 3.975 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H](C)c1ncco1)CC3 ZINC000895763302 1123511560 /nfs/dbraw/zinc/51/15/60/1123511560.db2.gz CFTWAPMDSDNJJR-QWHCGFSZSA-N 0 1 295.386 3.672 20 0 CHADMN C[C@@H](N[C@@H](C)Cc1ccccc1Cl)c1ncco1 ZINC000895763281 1123511767 /nfs/dbraw/zinc/51/17/67/1123511767.db2.gz BWXBJXBYAKNEHD-WDEREUQCSA-N 0 1 264.756 3.610 20 0 CHADMN FC(F)(F)c1ccc(CN2C[C@@H]3CSC[C@@H]3C2)s1 ZINC000895779195 1123514165 /nfs/dbraw/zinc/51/41/65/1123514165.db2.gz NMFFVSDOZUGGEB-DTORHVGOSA-N 0 1 293.379 3.562 20 0 CHADMN CCCCC[C@H](C(=O)O[C@H](C)c1n[nH]c(C)n1)C(C)C ZINC000840284820 1123517390 /nfs/dbraw/zinc/51/73/90/1123517390.db2.gz NCRFMILUDWPSRV-YPMHNXCESA-N 0 1 281.400 3.570 20 0 CHADMN CC[C@@H](C)[C@H](C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474430423 1123527948 /nfs/dbraw/zinc/52/79/48/1123527948.db2.gz CKPQLRFJZSXGLU-SFYZADRCSA-N 0 1 273.735 3.805 20 0 CHADMN Cc1ccc(CC(=O)Nc2cc(F)cc(Cl)c2O)s1 ZINC000474445157 1123531411 /nfs/dbraw/zinc/53/14/11/1123531411.db2.gz KRBULCWIKCMYJY-UHFFFAOYSA-N 0 1 299.754 3.736 20 0 CHADMN Cc1ccccc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474449161 1123531903 /nfs/dbraw/zinc/53/19/03/1123531903.db2.gz UFFNCVZSFHJFIS-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN CCc1cccc(F)c1CNCc1ccc(F)cc1 ZINC000474458107 1123532026 /nfs/dbraw/zinc/53/20/26/1123532026.db2.gz HWSJWHSHBGQHFH-UHFFFAOYSA-N 0 1 261.315 3.817 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cccc3cccc1c32)c1cnccn1 ZINC000895933147 1123532097 /nfs/dbraw/zinc/53/20/97/1123532097.db2.gz BCXQSKIPHNIZHD-CXAGYDPISA-N 0 1 289.382 3.968 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3cccc4cccc2c43)nn1C ZINC000895933119 1123532386 /nfs/dbraw/zinc/53/23/86/1123532386.db2.gz AIBFIQIUKIIOQC-GOSISDBHSA-N 0 1 291.398 3.659 20 0 CHADMN Cc1cnc(CN[C@@H]2CCc3cccc4cccc2c43)cn1 ZINC000895935971 1123533144 /nfs/dbraw/zinc/53/31/44/1123533144.db2.gz SBFCKSUYSYNLCI-GOSISDBHSA-N 0 1 289.382 3.715 20 0 CHADMN CCC(CC)CCCN(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000856170059 1123549318 /nfs/dbraw/zinc/54/93/18/1123549318.db2.gz ZOVRMPLBIMVRQC-UHFFFAOYSA-N 0 1 277.412 3.576 20 0 CHADMN Cc1ccc([C@H](C)NCc2nc3ccccc3[nH]2)cc1 ZINC000054375469 1123559186 /nfs/dbraw/zinc/55/91/86/1123559186.db2.gz ANOFVJNUVHQVDF-ZDUSSCGKSA-N 0 1 265.360 3.722 20 0 CHADMN C[C@H]1CCC[C@@H](CCN(C)Cc2cn3c(n2)CCCC3)C1 ZINC000429536920 1123564930 /nfs/dbraw/zinc/56/49/30/1123564930.db2.gz LLTRDLCJJMJQMX-HOTGVXAUSA-N 0 1 289.467 3.868 20 0 CHADMN CN(Cc1cccnc1Cl)[C@H]1CCc2ccccc2C1 ZINC000114488435 1123565033 /nfs/dbraw/zinc/56/50/33/1123565033.db2.gz ZXXHGVDOPUOQID-INIZCTEOSA-N 0 1 286.806 3.724 20 0 CHADMN CCC[C@H](NCc1cn(C)nc1Cl)c1ccccc1 ZINC000856765019 1123566943 /nfs/dbraw/zinc/56/69/43/1123566943.db2.gz UBILMUYMXNTTNU-AWEZNQCLSA-N 0 1 277.799 3.705 20 0 CHADMN CC(C)[C@H](NCc1cn(C)nc1Cl)c1ccc(F)cc1 ZINC000856765361 1123566972 /nfs/dbraw/zinc/56/69/72/1123566972.db2.gz YOVGPLSBXNSBRA-AWEZNQCLSA-N 0 1 295.789 3.700 20 0 CHADMN COc1ccccc1[C@H](C)NCc1cc(F)ccc1C ZINC000097849127 1123578091 /nfs/dbraw/zinc/57/80/91/1123578091.db2.gz HLPZUVRRJKHGIK-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN CCC[C@@](C)(CC)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000474771145 1123584335 /nfs/dbraw/zinc/58/43/35/1123584335.db2.gz AXMAJIQBSANREP-GDBMZVCRSA-N 0 1 296.480 3.683 20 0 CHADMN O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)n[nH]1 ZINC000017024418 1123585839 /nfs/dbraw/zinc/58/58/39/1123585839.db2.gz HAUXSRXNKJKKSG-UHFFFAOYSA-N 0 1 297.745 3.982 20 0 CHADMN Cc1nc(C)c(C(=O)N2CCc3cc(C(C)(C)C)ccc32)[nH]1 ZINC000857093264 1123586683 /nfs/dbraw/zinc/58/66/83/1123586683.db2.gz VGJBKIZIFVZMJA-UHFFFAOYSA-N 0 1 297.402 3.527 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc(C)o2)cc1 ZINC000102671624 1123590959 /nfs/dbraw/zinc/59/09/59/1123590959.db2.gz UAXVRBKDYZZTBM-UHFFFAOYSA-N 0 1 259.349 3.619 20 0 CHADMN Cc1cccc(NCC[C@H]2OCCc3ccccc32)n1 ZINC000896535708 1123595394 /nfs/dbraw/zinc/59/53/94/1123595394.db2.gz MRXBDSKPAJYKNK-MRXNPFEDSA-N 0 1 268.360 3.506 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cnc3ccccn23)cc1 ZINC000157695462 1129132210 /nfs/dbraw/zinc/13/22/10/1129132210.db2.gz BJSKOWJEIJBMHS-HNNXBMFYSA-N 0 1 279.387 3.836 20 0 CHADMN COCc1cccc(C[N@@H+](C)Cc2ccc(F)c(F)c2)c1 ZINC000179194698 1123600438 /nfs/dbraw/zinc/60/04/38/1123600438.db2.gz YRUJWLBCFGBEAN-UHFFFAOYSA-N 0 1 291.341 3.743 20 0 CHADMN COCc1cccc(CN(C)Cc2ccc(F)c(F)c2)c1 ZINC000179194698 1123600439 /nfs/dbraw/zinc/60/04/39/1123600439.db2.gz YRUJWLBCFGBEAN-UHFFFAOYSA-N 0 1 291.341 3.743 20 0 CHADMN COc1ccc(CN2CC[C@H](OCC(C)C)C2)cc1Cl ZINC000179370258 1123602064 /nfs/dbraw/zinc/60/20/64/1123602064.db2.gz YLYFKBWUHGXUTL-AWEZNQCLSA-N 0 1 297.826 3.596 20 0 CHADMN CC(C)Cc1ccc(CN[C@@H](c2ccccn2)C2CC2)cn1 ZINC000896610035 1123605567 /nfs/dbraw/zinc/60/55/67/1123605567.db2.gz SJHRBLRCNORSLB-LJQANCHMSA-N 0 1 295.430 3.916 20 0 CHADMN CCN(CCc1nccs1)Cc1oc(C(C)C)nc1C ZINC000428305518 1123607043 /nfs/dbraw/zinc/60/70/43/1123607043.db2.gz LFOIARDQCLMPSI-UHFFFAOYSA-N 0 1 293.436 3.628 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1cccc2c1OCO2 ZINC000157814625 1129133397 /nfs/dbraw/zinc/13/33/97/1129133397.db2.gz UCTVRAXKUFFTMH-LLVKDONJSA-N 0 1 275.373 3.670 20 0 CHADMN Cc1cc(CNC(C)(C)/C=C\Cl)cc(Cl)n1 ZINC000896747624 1123618306 /nfs/dbraw/zinc/61/83/06/1123618306.db2.gz NUSIIHOIMOQXBD-PLNGDYQASA-N 0 1 259.180 3.664 20 0 CHADMN c1coc([C@@H](N[C@@H]2CCCc3cn[nH]c32)c2ccccc2)c1 ZINC000857847371 1123621154 /nfs/dbraw/zinc/62/11/54/1123621154.db2.gz ZKOGCJMMRMBJAY-QAPCUYQASA-N 0 1 293.370 3.759 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@H]1CCCc2c[nH]nc21 ZINC000857856444 1123622069 /nfs/dbraw/zinc/62/20/69/1123622069.db2.gz LDKWHSWHIGBHIV-ZTFRIQLXSA-N 0 1 299.393 3.839 20 0 CHADMN CC(C)Cc1ccccc1CN[C@H]1CCCc2c[nH]nc21 ZINC000857871255 1123623607 /nfs/dbraw/zinc/62/36/07/1123623607.db2.gz MVKLTCRGIPRIDS-KRWDZBQOSA-N 0 1 283.419 3.775 20 0 CHADMN CC(C)[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccccc1F ZINC000857873558 1123623940 /nfs/dbraw/zinc/62/39/40/1123623940.db2.gz YVRUZZXZQYEWEY-JKSUJKDBSA-N 0 1 287.382 3.913 20 0 CHADMN CC(C)[C@H](N[C@@H]1CCCc2c[nH]nc21)c1ccccc1F ZINC000857873555 1123624706 /nfs/dbraw/zinc/62/47/06/1123624706.db2.gz YVRUZZXZQYEWEY-CVEARBPZSA-N 0 1 287.382 3.913 20 0 CHADMN COc1cccc(CN[C@H]2CCc3ccc(Cl)nc32)c1 ZINC000857901450 1123625492 /nfs/dbraw/zinc/62/54/92/1123625492.db2.gz JXXTVFXVNALMHO-AWEZNQCLSA-N 0 1 288.778 3.521 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)NCc2ccnc(F)c2)c1 ZINC000858099193 1123631228 /nfs/dbraw/zinc/63/12/28/1123631228.db2.gz LBSVOTMPBNKRKW-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN Cc1ccoc1CN1CC2(CCCC2)OC(C)(C)C1 ZINC000443791804 1123631541 /nfs/dbraw/zinc/63/15/41/1123631541.db2.gz RLZKJMVZQBRPJD-UHFFFAOYSA-N 0 1 263.381 3.512 20 0 CHADMN CC(C)(C)Oc1ccc(CNCc2ccnc(F)c2)cc1 ZINC000858109494 1123632093 /nfs/dbraw/zinc/63/20/93/1123632093.db2.gz SNGTXJHJUIZBSM-UHFFFAOYSA-N 0 1 288.366 3.688 20 0 CHADMN CCCOc1ccc([C@H](C)NCc2ccnc(F)c2)cc1 ZINC000858116031 1123632408 /nfs/dbraw/zinc/63/24/08/1123632408.db2.gz IHOOUDJTYSJABC-ZDUSSCGKSA-N 0 1 288.366 3.860 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)c1ccnn1C ZINC000192248871 1123637451 /nfs/dbraw/zinc/63/74/51/1123637451.db2.gz BRUDSGVXFVPLEX-QWRGUYRKSA-N 0 1 297.324 3.851 20 0 CHADMN CCC[C@H](CNCc1ccnc(Cl)c1Cl)OCC ZINC000858210206 1123638270 /nfs/dbraw/zinc/63/82/70/1123638270.db2.gz ITWKCNCBVXJWDW-LLVKDONJSA-N 0 1 291.222 3.683 20 0 CHADMN Cc1cccc([C@H](NCc2cnn(C)c2Cl)C(C)C)c1 ZINC000858286919 1123641556 /nfs/dbraw/zinc/64/15/56/1123641556.db2.gz JELOETDBJPNTQK-OAHLLOKOSA-N 0 1 291.826 3.869 20 0 CHADMN CC[C@@H](NCc1ccc(C)nn1)c1cc(C)ccc1C ZINC000858296513 1123642799 /nfs/dbraw/zinc/64/27/99/1123642799.db2.gz VOJCCISAXSAVRU-QGZVFWFLSA-N 0 1 269.392 3.643 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccns2)ccc1Cl ZINC000858316721 1123644085 /nfs/dbraw/zinc/64/40/85/1123644085.db2.gz JAOPAEMISKGVQV-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN C[C@H](NCc1cccc(OC(F)F)c1)c1ccns1 ZINC000858316904 1123644453 /nfs/dbraw/zinc/64/44/53/1123644453.db2.gz DDLWOTUKUBMUHI-VIFPVBQESA-N 0 1 284.331 3.595 20 0 CHADMN CC(C)n1nccc1CN[C@@H]1CCc2ccc(Cl)cc21 ZINC000858320825 1123645318 /nfs/dbraw/zinc/64/53/18/1123645318.db2.gz JSCLHMSMLKYSSB-MRXNPFEDSA-N 0 1 289.810 3.895 20 0 CHADMN COCc1nc(CN2CCC[C@@H](C3CCC3)CC2)cs1 ZINC000639391831 1123647048 /nfs/dbraw/zinc/64/70/48/1123647048.db2.gz LFMXUYULEAJMMD-CQSZACIVSA-N 0 1 294.464 3.692 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(Cl)s1)c1ccnn1C ZINC000192248294 1123647529 /nfs/dbraw/zinc/64/75/29/1123647529.db2.gz NMTJSUIAXNZINJ-BDAKNGLRSA-N 0 1 269.801 3.547 20 0 CHADMN CCC[C@H](C)CCC[C@H](C)NCc1nnc(C)s1 ZINC000858403640 1123651231 /nfs/dbraw/zinc/65/12/31/1123651231.db2.gz IEGBRPYGXHZWMH-RYUDHWBXSA-N 0 1 269.458 3.931 20 0 CHADMN CCOCCCN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000121202779 1123659489 /nfs/dbraw/zinc/65/94/89/1123659489.db2.gz LQNOTDJUMZCNTQ-OAHLLOKOSA-N 0 1 299.867 3.857 20 0 CHADMN CC(=O)Nc1ccc([C@H](C)N[C@H](C)c2ccns2)cc1 ZINC000858578352 1123665050 /nfs/dbraw/zinc/66/50/50/1123665050.db2.gz UTZXVEODBYMHKS-WDEREUQCSA-N 0 1 289.404 3.513 20 0 CHADMN CC1CCC(N(C)C(=O)c2cnc(-c3ccccc3)[nH]2)CC1 ZINC000346124538 1123665580 /nfs/dbraw/zinc/66/55/80/1123665580.db2.gz XLBOZVAFAWEGLH-UHFFFAOYSA-N 0 1 297.402 3.727 20 0 CHADMN Cc1cccc2c1CC[C@H]2N[C@H](C)c1ccns1 ZINC000858579450 1123665721 /nfs/dbraw/zinc/66/57/21/1123665721.db2.gz WCQCUKZBJLHLIM-BXUZGUMPSA-N 0 1 258.390 3.790 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@@H](C)CC2)s1 ZINC000346143549 1123666457 /nfs/dbraw/zinc/66/64/57/1123666457.db2.gz DKCZBZUQJFXUIY-GFCCVEGCSA-N 0 1 252.427 3.889 20 0 CHADMN CC[C@@H]1CCC[C@H](CN(C)Cc2nccs2)C1 ZINC000346188131 1123669038 /nfs/dbraw/zinc/66/90/38/1123669038.db2.gz UUVIONQXKUUMHQ-OLZOCXBDSA-N 0 1 252.427 3.791 20 0 CHADMN CCSc1cccc(NC(=O)CN2[C@H](C)CC[C@H]2C)c1 ZINC000346201483 1123672204 /nfs/dbraw/zinc/67/22/04/1123672204.db2.gz SKANVXJPALPYQL-CHWSQXEVSA-N 0 1 292.448 3.610 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2cc(C)ccc2C)on1 ZINC000346276433 1123674339 /nfs/dbraw/zinc/67/43/39/1123674339.db2.gz BGVVRCHAKSUWBH-CQSZACIVSA-N 0 1 258.365 3.793 20 0 CHADMN CCCN(CC)Cc1cc(-c2cccs2)on1 ZINC000346287056 1123677986 /nfs/dbraw/zinc/67/79/86/1123677986.db2.gz CPZVVDRIABSMJZ-UHFFFAOYSA-N 0 1 250.367 3.635 20 0 CHADMN CCc1cnc(CN2CC[C@H](C)C3(CCC3)C2)s1 ZINC000346305657 1123679934 /nfs/dbraw/zinc/67/99/34/1123679934.db2.gz CIWXSKHLFRPDKA-LBPRGKRZSA-N 0 1 264.438 3.718 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000281151097 1123685452 /nfs/dbraw/zinc/68/54/52/1123685452.db2.gz JZHBDTQIDVOLPE-OLZOCXBDSA-N 0 1 298.390 3.627 20 0 CHADMN Cc1ccccc1SC[C@@H](C)CN(C)Cc1cc[nH]n1 ZINC000859137283 1123686321 /nfs/dbraw/zinc/68/63/21/1123686321.db2.gz DPSQOIBLNULAEV-ZDUSSCGKSA-N 0 1 289.448 3.578 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1ccnc(F)c1 ZINC000859140958 1123686388 /nfs/dbraw/zinc/68/63/88/1123686388.db2.gz ADYKIWZZAKWPBA-INIZCTEOSA-N 0 1 270.351 3.730 20 0 CHADMN CCc1nnc([C@H](C)N2CCCC(CC)(CC)CC2)o1 ZINC000346467187 1123687632 /nfs/dbraw/zinc/68/76/32/1123687632.db2.gz JTKQVZZQNBIFTO-ZDUSSCGKSA-N 0 1 279.428 3.985 20 0 CHADMN Clc1cccnc1CN1CC[C@H]1Cc1ccccc1 ZINC000859159178 1123687832 /nfs/dbraw/zinc/68/78/32/1123687832.db2.gz LICHSVVTINSDEL-AWEZNQCLSA-N 0 1 272.779 3.552 20 0 CHADMN CCCCC[C@@H](NCc1cncc(OC)n1)c1ccccc1 ZINC000859229940 1123692259 /nfs/dbraw/zinc/69/22/59/1123692259.db2.gz QRLGEIFEPAGFTM-QGZVFWFLSA-N 0 1 299.418 3.896 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1Cc1ccnc(F)c1 ZINC000859253828 1123692868 /nfs/dbraw/zinc/69/28/68/1123692868.db2.gz GWKVFTGWYKSMIJ-INIZCTEOSA-N 0 1 270.351 3.558 20 0 CHADMN CC[C@H](C)[C@@](C)(O)CN[C@@H](C)c1csc(C(C)C)n1 ZINC000346614225 1123698435 /nfs/dbraw/zinc/69/84/35/1123698435.db2.gz NCRUKKARRLUCGE-HUBLWGQQSA-N 0 1 284.469 3.714 20 0 CHADMN CC1(C)C[C@H]1N[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000346652072 1123702451 /nfs/dbraw/zinc/70/24/51/1123702451.db2.gz XVDYOZNLHNUDQI-CVEARBPZSA-N 0 1 270.351 3.698 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccco1)c1cc2c(s1)CCC2 ZINC000346628513 1123702474 /nfs/dbraw/zinc/70/24/74/1123702474.db2.gz YYVQPZHJEXFAIW-YPMHNXCESA-N 0 1 291.416 3.604 20 0 CHADMN C[C@H](c1cccs1)c1noc(-c2ccc3cncn3c2)n1 ZINC000346633336 1123702805 /nfs/dbraw/zinc/70/28/05/1123702805.db2.gz YTYQAUCDIZIFLF-SNVBAGLBSA-N 0 1 296.355 3.598 20 0 CHADMN CCCCN(C)Cc1ccc(OC)c(OC)c1Cl ZINC000158172155 1129140404 /nfs/dbraw/zinc/14/04/04/1129140404.db2.gz DZIMOOIZPFRZSR-UHFFFAOYSA-N 0 1 271.788 3.589 20 0 CHADMN CN(C)c1ccccc1CN[C@H](c1cncc(F)c1)C1CC1 ZINC000281696380 1123739913 /nfs/dbraw/zinc/73/99/13/1123739913.db2.gz SKRIOZKYFGQHFE-SFHVURJKSA-N 0 1 299.393 3.528 20 0 CHADMN CCCC[C@H](CC)CCN[C@@H](C)c1csnn1 ZINC000414544362 1129142122 /nfs/dbraw/zinc/14/21/22/1129142122.db2.gz CPPIAGWKCZQDAZ-RYUDHWBXSA-N 0 1 255.431 3.795 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccccc2SC)n1 ZINC000281855709 1123747133 /nfs/dbraw/zinc/74/71/33/1123747133.db2.gz ZNKPTBRADLJUBI-LBPRGKRZSA-N 0 1 288.416 3.663 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@H](O)CC(C)(C)C1 ZINC000336302753 1123758930 /nfs/dbraw/zinc/75/89/30/1123758930.db2.gz DDYUQFQHWHALLA-STQMWFEESA-N 0 1 294.439 3.516 20 0 CHADMN CCOC(=O)[C@@H](CC)N1CCC[C@H]1c1ccc(C)s1 ZINC000444161582 1123763200 /nfs/dbraw/zinc/76/32/00/1123763200.db2.gz RNJRXDFSHLSJDZ-OLZOCXBDSA-N 0 1 281.421 3.535 20 0 CHADMN Cc1ccc(C)c([C@H](C)N[C@@H]2CCCc3c[nH]nc32)c1 ZINC000336359525 1123764886 /nfs/dbraw/zinc/76/48/86/1123764886.db2.gz IODOZVDYDDXJPT-XJKSGUPXSA-N 0 1 269.392 3.755 20 0 CHADMN CSC[C@H]1CCCN1Cc1cccc(F)c1Cl ZINC000339024162 1123768938 /nfs/dbraw/zinc/76/89/38/1123768938.db2.gz ONCDHEZBCCLBEF-LLVKDONJSA-N 0 1 273.804 3.807 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3ccc(F)cc32)nc1C ZINC000334720085 1123771594 /nfs/dbraw/zinc/77/15/94/1123771594.db2.gz YOIBUXCDYAFGEO-QGZVFWFLSA-N 0 1 270.351 3.615 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2cccc(Br)n2)C1 ZINC000310511010 1123771854 /nfs/dbraw/zinc/77/18/54/1123771854.db2.gz LNFJNOQNPGTFHP-UTUOFQBUSA-N 0 1 297.240 3.711 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086782888 1123773683 /nfs/dbraw/zinc/77/36/83/1123773683.db2.gz PBAAYJAVAGCYOS-IAQYHMDHSA-N 0 1 281.783 3.588 20 0 CHADMN O=C(c1cnc(C2CC2)[nH]1)N1CCCCC[C@@H]1c1ccco1 ZINC000336536538 1123773960 /nfs/dbraw/zinc/77/39/60/1123773960.db2.gz PJWJQBIRRUQKOP-CQSZACIVSA-N 0 1 299.374 3.638 20 0 CHADMN CCCN(CC(=O)c1cc(C)n(C2CC2)c1C)CC1CC1 ZINC000444265655 1123776189 /nfs/dbraw/zinc/77/61/89/1123776189.db2.gz LXWBGGRAXBGEPF-UHFFFAOYSA-N 0 1 288.435 3.745 20 0 CHADMN C[C@H](c1cccs1)N(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000042315220 1123782557 /nfs/dbraw/zinc/78/25/57/1123782557.db2.gz HZOQKUFUWBGFND-SECBINFHSA-N 0 1 295.791 3.940 20 0 CHADMN Oc1ccc2c(c1)CCN(Cc1c[nH]c3c1cccc3F)C2 ZINC001137052647 1123791093 /nfs/dbraw/zinc/79/10/93/1123791093.db2.gz GXWLCMCWQAOGJO-UHFFFAOYSA-N 0 1 296.345 3.571 20 0 CHADMN [O-]c1ccc(F)c(C[NH2+][C@@H]2CCSC3(CCC3)C2)c1F ZINC000896952248 1123792281 /nfs/dbraw/zinc/79/22/81/1123792281.db2.gz VQYCUZWSISZDTK-SNVBAGLBSA-N 0 1 299.386 3.578 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccnc(F)c2C)cc1 ZINC000862213948 1123792541 /nfs/dbraw/zinc/79/25/41/1123792541.db2.gz ZAQSHBSUHMJDKX-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN CCc1cccc(Cl)c1CN(C)C[C@@H]1CCCO1 ZINC000475091900 1123793165 /nfs/dbraw/zinc/79/31/65/1123793165.db2.gz KJJDICFPTWAFNO-ZDUSSCGKSA-N 0 1 267.800 3.513 20 0 CHADMN Cc1c(CN[C@H]2CCCOc3ccccc32)ccnc1F ZINC000862274317 1123796977 /nfs/dbraw/zinc/79/69/77/1123796977.db2.gz JJJZPGMKWCYVAO-HNNXBMFYSA-N 0 1 286.350 3.533 20 0 CHADMN Cc1c(F)nccc1CNC1(c2ccc(Cl)cc2)CC1 ZINC000862277229 1123797145 /nfs/dbraw/zinc/79/71/45/1123797145.db2.gz SORFHPPELZMNEV-UHFFFAOYSA-N 0 1 290.769 3.961 20 0 CHADMN Cc1cccnc1[C@H](NCc1ccnc(F)c1C)C(C)C ZINC000862278357 1123798054 /nfs/dbraw/zinc/79/80/54/1123798054.db2.gz GOCLPJAWPSTCML-OAHLLOKOSA-N 0 1 287.382 3.719 20 0 CHADMN FC1(F)C[C@]12CC[N@@H+](Cc1nc3ccccc3s1)C2 ZINC000649901505 1129146018 /nfs/dbraw/zinc/14/60/18/1129146018.db2.gz NJZCKFOTMYHTCQ-ZDUSSCGKSA-N 0 1 280.343 3.527 20 0 CHADMN FC1(F)C[C@]12CCN(Cc1nc3ccccc3s1)C2 ZINC000649901505 1129146022 /nfs/dbraw/zinc/14/60/22/1129146022.db2.gz NJZCKFOTMYHTCQ-ZDUSSCGKSA-N 0 1 280.343 3.527 20 0 CHADMN CC[C@H](N[C@H](C)c1ccncn1)c1ccc(Cl)cc1 ZINC000395951875 1123804236 /nfs/dbraw/zinc/80/42/36/1123804236.db2.gz GEPZETGZDJIEQI-RISCZKNCSA-N 0 1 275.783 3.932 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccncn1)c1ccc(Cl)cc1 ZINC000395951878 1123804260 /nfs/dbraw/zinc/80/42/60/1123804260.db2.gz GEPZETGZDJIEQI-SMDDNHRTSA-N 0 1 275.783 3.932 20 0 CHADMN Fc1cccc2c(C[N@@H+]3C[C@H]4CC[C@@H](C3)C4(F)F)c[nH]c21 ZINC001137052794 1123808696 /nfs/dbraw/zinc/80/86/96/1123808696.db2.gz NFMBWWOMJNSRFF-TXEJJXNPSA-N 0 1 294.320 3.784 20 0 CHADMN Fc1cccc2c(CN3C[C@H]4CC[C@@H](C3)C4(F)F)c[nH]c21 ZINC001137052794 1123808700 /nfs/dbraw/zinc/80/87/00/1123808700.db2.gz NFMBWWOMJNSRFF-TXEJJXNPSA-N 0 1 294.320 3.784 20 0 CHADMN CSc1ccc([C@@H](C)N[C@@H](C)c2ccncn2)cc1 ZINC000395962548 1123808800 /nfs/dbraw/zinc/80/88/00/1123808800.db2.gz JJCBBXKPYMABCL-NEPJUHHUSA-N 0 1 273.405 3.610 20 0 CHADMN CCOc1c(Cl)cccc1CN1CCC[C@](C)(OC)C1 ZINC000475274569 1123832259 /nfs/dbraw/zinc/83/22/59/1123832259.db2.gz NUTTUFKNWWFSFJ-INIZCTEOSA-N 0 1 297.826 3.740 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2cncs2)c(C)o1 ZINC000119385274 1123858815 /nfs/dbraw/zinc/85/88/15/1123858815.db2.gz KXKFCISWKPBBRC-VHSXEESVSA-N 0 1 250.367 3.765 20 0 CHADMN CCC[C@H](NCc1ccc(OC(C)C)nc1)c1ccccn1 ZINC000158667011 1129150069 /nfs/dbraw/zinc/15/00/69/1129150069.db2.gz FVLXARFVKNAFDA-INIZCTEOSA-N 0 1 299.418 3.895 20 0 CHADMN COc1ccnc(NCc2cscc2Br)c1 ZINC000336656526 1123866533 /nfs/dbraw/zinc/86/65/33/1123866533.db2.gz APMTXCVVIPQIFB-UHFFFAOYSA-N 0 1 299.193 3.526 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1ccnn1C)c1ccc(F)cc1F ZINC000192955413 1123868431 /nfs/dbraw/zinc/86/84/31/1123868431.db2.gz LBTFZLCYJDLIOB-BDJLRTHQSA-N 0 1 293.361 3.746 20 0 CHADMN CCCCN(C(=O)c1cc(C)[nH]n1)[C@@H](C)c1ccc(C)o1 ZINC000621239940 1129150626 /nfs/dbraw/zinc/15/06/26/1129150626.db2.gz JZNKDJQJIZGCNF-ZDUSSCGKSA-N 0 1 289.379 3.623 20 0 CHADMN CCN(Cc1cnn(C(C)(C)C)c1)Cc1ccccc1 ZINC000158697383 1129150678 /nfs/dbraw/zinc/15/06/78/1129150678.db2.gz WRUSESXMWOTESF-UHFFFAOYSA-N 0 1 271.408 3.660 20 0 CHADMN CSc1ccc(/C=C\c2nc([C@H](N)C(C)C)no2)s1 ZINC000863657808 1123885070 /nfs/dbraw/zinc/88/50/70/1123885070.db2.gz VSOOQNFAAVUNDE-TXNVCOODSA-N 0 1 295.433 3.679 20 0 CHADMN CCN[C@@H](C)c1nc(-c2ccc(O[C@@H](C)CC)cc2)no1 ZINC000863661816 1123885898 /nfs/dbraw/zinc/88/58/98/1123885898.db2.gz QIWDMQTWTNXFRC-RYUDHWBXSA-N 0 1 289.379 3.584 20 0 CHADMN CCN[C@@H](C)c1nc(-c2ccc3[nH]c(C)c(C)c3c2)no1 ZINC000863662853 1123885921 /nfs/dbraw/zinc/88/59/21/1123885921.db2.gz XHCMMOXZWLBXMK-NSHDSACASA-N 0 1 284.363 3.505 20 0 CHADMN CCN[C@@H](C)c1nc(-c2ccc(SC)cc2Cl)no1 ZINC000863664351 1123886121 /nfs/dbraw/zinc/88/61/21/1123886121.db2.gz XXZOOJYQMJTISN-QMMMGPOBSA-N 0 1 297.811 3.782 20 0 CHADMN C[C@](O)(CNc1ccnc2cc(F)ccc21)c1ccccc1 ZINC000301306877 1123891693 /nfs/dbraw/zinc/89/16/93/1123891693.db2.gz YXPGYGCVFYTRBG-SFHVURJKSA-N 0 1 296.345 3.694 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1cncc(Cl)c1 ZINC000621244586 1129152503 /nfs/dbraw/zinc/15/25/03/1129152503.db2.gz RQURNBKCPFQKMA-LBPRGKRZSA-N 0 1 260.768 3.928 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CC[C@@]2(CC2(F)F)C1 ZINC000649903725 1129152711 /nfs/dbraw/zinc/15/27/11/1129152711.db2.gz VBZMJYJCSRDHMH-NOZJJQNGSA-N 0 1 273.273 3.757 20 0 CHADMN O=C(c1cccc2[nH]cnc21)N1CCC[C@H]1C1CCCCC1 ZINC000159058858 1129158280 /nfs/dbraw/zinc/15/82/80/1129158280.db2.gz DTTBZOMBOSTKMF-INIZCTEOSA-N 0 1 297.402 3.748 20 0 CHADMN CCC(C)(C)NC(=O)CN(C)[C@H](C)c1cc(C)ccc1C ZINC000621281347 1129158326 /nfs/dbraw/zinc/15/83/26/1129158326.db2.gz CAXSRTJJDMXDKI-OAHLLOKOSA-N 0 1 290.451 3.601 20 0 CHADMN CC(C)(C)C(F)(F)CNc1ccncc1C(F)(F)F ZINC000864093445 1123917607 /nfs/dbraw/zinc/91/76/07/1123917607.db2.gz PZHCPMHJKAQLSE-UHFFFAOYSA-N 0 1 282.256 3.616 20 0 CHADMN Cc1cc(NC[C@H](C)C[C@H](C)O)c2cc(F)ccc2n1 ZINC000301644369 1123920784 /nfs/dbraw/zinc/92/07/84/1123920784.db2.gz CJSIKCHOHQEYNC-PWSUYJOCSA-N 0 1 276.355 3.501 20 0 CHADMN Cc1cc(NC[C@]2(C)CCCO2)c2cc(F)ccc2n1 ZINC000301672201 1123922448 /nfs/dbraw/zinc/92/24/48/1123922448.db2.gz OJWNNBPNLPUAMP-INIZCTEOSA-N 0 1 274.339 3.663 20 0 CHADMN Cc1cc(NCC[C@H](O)C(C)C)c2cc(F)ccc2n1 ZINC000301696438 1123925165 /nfs/dbraw/zinc/92/51/65/1123925165.db2.gz YZWJGYPOEUTTSA-INIZCTEOSA-N 0 1 276.355 3.501 20 0 CHADMN CCCc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccsc2)s1 ZINC000621247525 1129154030 /nfs/dbraw/zinc/15/40/30/1129154030.db2.gz XNVOLZZTDYCUMP-CYBMUJFWSA-N 0 1 295.429 3.678 20 0 CHADMN Cc1c(Nc2nc(C(C)C)ns2)cnn1-c1ccccc1 ZINC000301988788 1123948697 /nfs/dbraw/zinc/94/86/97/1123948697.db2.gz WNSXOUDZFBKOAC-UHFFFAOYSA-N 0 1 299.403 3.899 20 0 CHADMN Cc1cc(NC[C@@H](C)Cn2cccn2)c2cc(F)ccc2n1 ZINC000301996611 1123948727 /nfs/dbraw/zinc/94/87/27/1123948727.db2.gz TZODLFROALKUHT-GFCCVEGCSA-N 0 1 298.365 3.627 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cc(C)oc1C ZINC000163238967 1123958418 /nfs/dbraw/zinc/95/84/18/1123958418.db2.gz XCHXJCMAAJWPIG-GFCCVEGCSA-N 0 1 259.349 3.756 20 0 CHADMN COc1ccc(CN2CCCC[C@H]2C)c(Cl)c1OC ZINC000158952062 1129156215 /nfs/dbraw/zinc/15/62/15/1129156215.db2.gz PISGTSSVFPJLRB-LLVKDONJSA-N 0 1 283.799 3.732 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cccnc1F)CCC2 ZINC000794829213 1123962417 /nfs/dbraw/zinc/96/24/17/1123962417.db2.gz POROKCMWJNSRLJ-OAHLLOKOSA-N 0 1 274.314 3.527 20 0 CHADMN OCC[C@H](Nc1ccnc2cc(F)ccc21)c1ccco1 ZINC000302226257 1123962733 /nfs/dbraw/zinc/96/27/33/1123962733.db2.gz SOLXZRDEEOBLBB-AWEZNQCLSA-N 0 1 286.306 3.503 20 0 CHADMN CC(C)Oc1ccc([C@H](C)NCc2cccnc2F)cc1 ZINC000794831038 1123963024 /nfs/dbraw/zinc/96/30/24/1123963024.db2.gz BLPWDCHUIIJPAR-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cccnc1F)[C@H](C)C2 ZINC000794830683 1123963544 /nfs/dbraw/zinc/96/35/44/1123963544.db2.gz ZYLNERHZWTZHNH-WBMJQRKESA-N 0 1 270.351 3.552 20 0 CHADMN Cc1cccc(NCCc2c[nH]c3cccc(C)c23)n1 ZINC000302234596 1123963692 /nfs/dbraw/zinc/96/36/92/1123963692.db2.gz GVKADZXSZRDUSD-UHFFFAOYSA-N 0 1 265.360 3.834 20 0 CHADMN CC(C)C1CCN(Cc2cncc(Cl)c2)CC1 ZINC000621260273 1129156758 /nfs/dbraw/zinc/15/67/58/1129156758.db2.gz YTYTXMJKDBLZNO-UHFFFAOYSA-N 0 1 252.789 3.603 20 0 CHADMN Fc1cc(OC(F)F)ccc1CNc1nccn1C1CC1 ZINC000865293694 1123970842 /nfs/dbraw/zinc/97/08/42/1123970842.db2.gz SCSCRHPZBIVZBV-UHFFFAOYSA-N 0 1 297.280 3.571 20 0 CHADMN FC(F)O[C@@H]1CCCN(Cc2ccc(C(F)F)cc2)C1 ZINC000680864077 1123973704 /nfs/dbraw/zinc/97/37/04/1123973704.db2.gz DHPNRSJNPOZHOD-GFCCVEGCSA-N 0 1 291.288 3.828 20 0 CHADMN CO[C@H](C)[C@H](C)Nc1cc(C)nc2ccc(F)cc21 ZINC000302616035 1123974650 /nfs/dbraw/zinc/97/46/50/1123974650.db2.gz CXRMNUUPLFWKOK-WDEREUQCSA-N 0 1 262.328 3.518 20 0 CHADMN CCOC[C@@H](Nc1ccnc2cc(F)ccc21)C(C)C ZINC000302635769 1123975542 /nfs/dbraw/zinc/97/55/42/1123975542.db2.gz CYPNYCBSYWYNMN-MRXNPFEDSA-N 0 1 276.355 3.847 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2cccnc2F)c1 ZINC000794837895 1123980999 /nfs/dbraw/zinc/98/09/99/1123980999.db2.gz WHBKNVUFGYUPOM-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN CC(C)[C@@H](NCc1cn(C2CC2)cn1)c1ccc(F)cc1 ZINC000865405825 1123981048 /nfs/dbraw/zinc/98/10/48/1123981048.db2.gz XKENUUCDDVGTMW-QGZVFWFLSA-N 0 1 287.382 3.844 20 0 CHADMN Cc1ccc(CNCc2cccc(OC(C)(C)C)c2)cn1 ZINC000865417078 1123982281 /nfs/dbraw/zinc/98/22/81/1123982281.db2.gz XHCSJSMUXKTFDZ-UHFFFAOYSA-N 0 1 284.403 3.857 20 0 CHADMN CC(C)c1ccc(CNCc2cc3c(cc[nH]c3=O)o2)cc1 ZINC000865428777 1123982762 /nfs/dbraw/zinc/98/27/62/1123982762.db2.gz VSJKZJYSYUUGTJ-UHFFFAOYSA-N 0 1 296.370 3.947 20 0 CHADMN COc1ccc(Cl)cc1C[N@@H+](C)CCC(C)C ZINC000302853626 1123986383 /nfs/dbraw/zinc/98/63/83/1123986383.db2.gz FXOJPLKQFXGOQO-UHFFFAOYSA-N 0 1 255.789 3.827 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cnc(Cl)c(F)c1)CC2 ZINC000865454516 1123986620 /nfs/dbraw/zinc/98/66/20/1123986620.db2.gz ASXMWXLZPUPBNI-HNNXBMFYSA-N 0 1 290.769 3.960 20 0 CHADMN CC(C)(C)Oc1cccc(CN[C@@H](CO)c2ccccc2)c1 ZINC000865465979 1123987064 /nfs/dbraw/zinc/98/70/64/1123987064.db2.gz NGRWYWMHJPPEKL-SFHVURJKSA-N 0 1 299.414 3.687 20 0 CHADMN CC(C)(C)Oc1cccc(CN[C@@H]2CCCc3c[nH]nc32)c1 ZINC000865494633 1123989451 /nfs/dbraw/zinc/98/94/51/1123989451.db2.gz FXSHMGIQGDOKDW-MRXNPFEDSA-N 0 1 299.418 3.754 20 0 CHADMN CC[C@@H](C)CNc1ccc(CN(C)C)c(Cl)c1 ZINC000475577746 1124018589 /nfs/dbraw/zinc/01/85/89/1124018589.db2.gz HIUVSRFICCPVKO-LLVKDONJSA-N 0 1 254.805 3.860 20 0 CHADMN Fc1cccc(CNCc2ccccc2CC(F)(F)F)n1 ZINC000865509808 1123990668 /nfs/dbraw/zinc/99/06/68/1123990668.db2.gz TXLKLZOVZHWDHN-UHFFFAOYSA-N 0 1 298.283 3.615 20 0 CHADMN Fc1cccc(CNCc2cccc(CC3CCC3)c2)n1 ZINC000865509416 1123990709 /nfs/dbraw/zinc/99/07/09/1123990709.db2.gz QRUYCZJBUOMLPJ-UHFFFAOYSA-N 0 1 284.378 3.853 20 0 CHADMN COc1ccc(CN[C@H](C)c2cn[nH]c2)cc1C(C)(C)C ZINC000865512189 1123990755 /nfs/dbraw/zinc/99/07/55/1123990755.db2.gz MMTKLBIPOOYSOC-GFCCVEGCSA-N 0 1 287.407 3.567 20 0 CHADMN C[C@H]1CCc2ccccc2[C@H]1NCc1cn(C2CC2)cn1 ZINC000865513539 1123991341 /nfs/dbraw/zinc/99/13/41/1123991341.db2.gz IPXDYBLTILRDJK-UGSOOPFHSA-N 0 1 281.403 3.631 20 0 CHADMN CC(C)(C)Oc1cccc(CNCc2cncs2)c1 ZINC000865528578 1123992161 /nfs/dbraw/zinc/99/21/61/1123992161.db2.gz SOAHNDRJBHXIGM-UHFFFAOYSA-N 0 1 276.405 3.610 20 0 CHADMN FC(F)(F)c1cnccc1N1CC[C@H](c2ccco2)C1 ZINC000865533034 1123993202 /nfs/dbraw/zinc/99/32/02/1123993202.db2.gz VAUQLULIRPIUNK-JTQLQIEISA-N 0 1 282.265 3.687 20 0 CHADMN CC(C)SCCNCc1c(Cl)cncc1Cl ZINC000865568138 1123995227 /nfs/dbraw/zinc/99/52/27/1123995227.db2.gz ICIIRLMZZBCYBF-UHFFFAOYSA-N 0 1 279.236 3.620 20 0 CHADMN FC(F)(F)C1(CNCc2c(Cl)cncc2Cl)CC1 ZINC000865564498 1123995290 /nfs/dbraw/zinc/99/52/90/1123995290.db2.gz NYJUYBYBJWBWHY-UHFFFAOYSA-N 0 1 299.123 3.821 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cn(C3CC3)cn1)CCC2 ZINC000865577976 1123995877 /nfs/dbraw/zinc/99/58/77/1123995877.db2.gz VTIJUUUTEBYMNE-GOSISDBHSA-N 0 1 281.403 3.694 20 0 CHADMN C[C@H](CNCc1c(Cl)cncc1Cl)c1ccccn1 ZINC000865619952 1123999777 /nfs/dbraw/zinc/99/97/77/1123999777.db2.gz FYTYOIQLEJIHSU-SNVBAGLBSA-N 0 1 296.201 3.677 20 0 CHADMN Cc1cc(CN2C[C@H](C(F)(F)F)CC[C@H]2C)ccn1 ZINC000621276105 1129159912 /nfs/dbraw/zinc/15/99/12/1129159912.db2.gz UOUCYCFTJTWGOT-DGCLKSJQSA-N 0 1 272.314 3.553 20 0 CHADMN c1snnc1CN[C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000865678031 1124004094 /nfs/dbraw/zinc/00/40/94/1124004094.db2.gz SUXMTHQVTSPUMV-CABCVRRESA-N 0 1 287.432 3.744 20 0 CHADMN CC[C@@H]1C[C@H]1CNC1(c2noc(C)n2)CCCCCC1 ZINC001168069467 1124004576 /nfs/dbraw/zinc/00/45/76/1124004576.db2.gz XSUVYJVTEABQTL-KGLIPLIRSA-N 0 1 277.412 3.563 20 0 CHADMN CCOc1cc(F)cc(CN[C@@H](C)c2cnc(C)s2)c1 ZINC000865703191 1124007134 /nfs/dbraw/zinc/00/71/34/1124007134.db2.gz VYPBGEFDTHVHPM-JTQLQIEISA-N 0 1 294.395 3.840 20 0 CHADMN CCCCOc1ccccc1CNCc1ccnc(F)c1 ZINC000865722552 1124007733 /nfs/dbraw/zinc/00/77/33/1124007733.db2.gz KFRGMFNTZNTENW-UHFFFAOYSA-N 0 1 288.366 3.689 20 0 CHADMN CO[C@@]1(C)CCCN(Cc2cc(Cl)ccc2F)CC1 ZINC000475543901 1124007787 /nfs/dbraw/zinc/00/77/87/1124007787.db2.gz ASNFWOJGMWOIQG-HNNXBMFYSA-N 0 1 285.790 3.870 20 0 CHADMN CC(C)c1cnc(CNC(C)(C)[C@@H]2CCCCO2)s1 ZINC000865745020 1124009849 /nfs/dbraw/zinc/00/98/49/1124009849.db2.gz DDXMACOIGNZITR-ZDUSSCGKSA-N 0 1 282.453 3.704 20 0 CHADMN C[C@@H](Nc1ccc2cnccc2c1)[C@H]1CCCCO1 ZINC000653465993 1124011628 /nfs/dbraw/zinc/01/16/28/1124011628.db2.gz VDOOJWPVCGQGNE-MLGOLLRUSA-N 0 1 256.349 3.604 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1ccc2c(c1)COC2 ZINC000865821157 1124018107 /nfs/dbraw/zinc/01/81/07/1124018107.db2.gz QJXFSJMDIUNEHS-CYBMUJFWSA-N 0 1 283.371 3.576 20 0 CHADMN CCc1cccc2cc(CN[C@@H](C)c3ccnn3C)oc21 ZINC000865838047 1124019233 /nfs/dbraw/zinc/01/92/33/1124019233.db2.gz OXACPZUGGSSZBE-LBPRGKRZSA-N 0 1 283.375 3.580 20 0 CHADMN CCC[C@@H](NCc1cncc(C)c1)c1cc(C)ccn1 ZINC000631602967 1124022658 /nfs/dbraw/zinc/02/26/58/1124022658.db2.gz PGCYBACUOUMCBK-MRXNPFEDSA-N 0 1 269.392 3.724 20 0 CHADMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000444440960 1124024428 /nfs/dbraw/zinc/02/44/28/1124024428.db2.gz TVDPYPHCHHQPCK-TXEJJXNPSA-N 0 1 296.361 3.610 20 0 CHADMN CC[C@@H](C)[C@H](CNc1ccc2cnccc2c1)OC ZINC000653468901 1124024727 /nfs/dbraw/zinc/02/47/27/1124024727.db2.gz JTEGJJAGKUPUNI-WBMJQRKESA-N 0 1 258.365 3.708 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CC[C@@H]2CSC[C@H]2C1 ZINC000866203297 1124037402 /nfs/dbraw/zinc/03/74/02/1124037402.db2.gz KGEIUHKTKQBCMI-VXGBXAGGSA-N 0 1 288.391 3.563 20 0 CHADMN C[C@@H]1COCCN1Cc1ccc(-c2ccsc2)cc1 ZINC000444592724 1124044223 /nfs/dbraw/zinc/04/42/23/1124044223.db2.gz PWMVDDBNDYNGBG-CYBMUJFWSA-N 0 1 273.401 3.636 20 0 CHADMN CC(C)c1nc(CN[C@H](C)c2ccc(C(C)C)cc2)n[nH]1 ZINC000428371162 1124045168 /nfs/dbraw/zinc/04/51/68/1124045168.db2.gz VHABVDUXXFZBPE-CYBMUJFWSA-N 0 1 286.423 3.902 20 0 CHADMN COC[C@@H]1CCN(Cc2nc(C3CCCCC3)cs2)C1 ZINC000444649169 1124047826 /nfs/dbraw/zinc/04/78/26/1124047826.db2.gz IYCPPMKRJIDAGR-CYBMUJFWSA-N 0 1 294.464 3.659 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cnc3ccccn23)c1 ZINC000444697861 1124055044 /nfs/dbraw/zinc/05/50/44/1124055044.db2.gz ZLHYQISCOLNNJJ-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN CN(CCc1cccnc1)Cc1cc(Cl)ccc1F ZINC000444697897 1124055054 /nfs/dbraw/zinc/05/50/54/1124055054.db2.gz LCOUYTAYNQRWGD-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN CCc1noc(C)c1CN(C)Cc1cc(C)cc(C)c1 ZINC000444701620 1124055539 /nfs/dbraw/zinc/05/55/39/1124055539.db2.gz HUVMYUUIUBJFMI-UHFFFAOYSA-N 0 1 272.392 3.794 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(F)c(C)c2)c(C)n1 ZINC000444740908 1124058355 /nfs/dbraw/zinc/05/83/55/1124058355.db2.gz GTRSTOMRSITQHB-UHFFFAOYSA-N 0 1 272.367 3.778 20 0 CHADMN C[C@@H](CCc1cccnc1)NCC(F)(F)C(C)(C)C ZINC000866391657 1124061409 /nfs/dbraw/zinc/06/14/09/1124061409.db2.gz MRNFHVBSXXOZET-LBPRGKRZSA-N 0 1 270.367 3.674 20 0 CHADMN Cc1ccc(NC(=O)CN2CCC[C@@H](C(C)C)C2)c(C)c1 ZINC000444771213 1124062770 /nfs/dbraw/zinc/06/27/70/1124062770.db2.gz IPHCFNFEPKUSGP-MRXNPFEDSA-N 0 1 288.435 3.610 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2nc(-c3ccsc3)no2)C1 ZINC000444774068 1124062862 /nfs/dbraw/zinc/06/28/62/1124062862.db2.gz UQXIFUDUGHYELV-LBPRGKRZSA-N 0 1 291.420 3.666 20 0 CHADMN CCC[C@]1(CO)CCCN1Cc1csc(C(C)(C)C)n1 ZINC000444779043 1124064241 /nfs/dbraw/zinc/06/42/41/1124064241.db2.gz XMRXFJOFBLOVAT-MRXNPFEDSA-N 0 1 296.480 3.568 20 0 CHADMN Fc1c(Cl)cccc1CN1CCCC12CCC2 ZINC000444778645 1124064429 /nfs/dbraw/zinc/06/44/29/1124064429.db2.gz WXTRWIORUHUKLS-UHFFFAOYSA-N 0 1 253.748 3.998 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)[nH]n2)o1 ZINC000195601477 1124066105 /nfs/dbraw/zinc/06/61/05/1124066105.db2.gz CHWRERKRFWFEFT-UHFFFAOYSA-N 0 1 295.342 3.847 20 0 CHADMN CCCc1ccc(CNCc2cn3cc(C)ccc3n2)s1 ZINC000621333461 1129164059 /nfs/dbraw/zinc/16/40/59/1129164059.db2.gz DUMVYKMAJQSBTA-UHFFFAOYSA-N 0 1 299.443 3.947 20 0 CHADMN COCCN(Cc1ccc(C)o1)Cc1ccccc1C ZINC000195674600 1124066727 /nfs/dbraw/zinc/06/67/27/1124066727.db2.gz UJADIMUMCMVRLS-UHFFFAOYSA-N 0 1 273.376 3.545 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3C)[nH]n2)o1 ZINC000195600553 1124066909 /nfs/dbraw/zinc/06/69/09/1124066909.db2.gz ABOUMOWKANVZTC-UHFFFAOYSA-N 0 1 299.305 3.678 20 0 CHADMN Cc1nc(C(C)C)sc1[C@H](C)NCc1ccnc(F)c1 ZINC000866473355 1124069958 /nfs/dbraw/zinc/06/99/58/1124069958.db2.gz MWUTUHLXTVUMJF-JTQLQIEISA-N 0 1 293.411 3.960 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccnc(F)c1 ZINC000866474661 1124070069 /nfs/dbraw/zinc/07/00/69/1124070069.db2.gz YVOKYFGHAWYIHL-HNNXBMFYSA-N 0 1 286.350 3.533 20 0 CHADMN CC(F)(F)C(C)(C)CN[C@@H]1c2ccccc2OC[C@H]1F ZINC000866545358 1124081188 /nfs/dbraw/zinc/08/11/88/1124081188.db2.gz FTLKISINUNWHHF-DGCLKSJQSA-N 0 1 287.325 3.729 20 0 CHADMN CC(C)C[C@@H](C)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000445456213 1124085469 /nfs/dbraw/zinc/08/54/69/1124085469.db2.gz NFCURGUZPMBFCO-OAHLLOKOSA-N 0 1 283.419 3.665 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](C)Sc2sccc21)c1ccnn1C ZINC000866614100 1124089691 /nfs/dbraw/zinc/08/96/91/1124089691.db2.gz XZUUMUWTMLZOGW-JBLDHEPKSA-N 0 1 293.461 3.758 20 0 CHADMN CC[C@@H](CN(C)Cc1cc(C)on1)c1ccccc1 ZINC000508535255 1124090840 /nfs/dbraw/zinc/09/08/40/1124090840.db2.gz RTBJJGNAOXRQNL-AWEZNQCLSA-N 0 1 258.365 3.609 20 0 CHADMN Cc1nc([C@@H](C)NC2([C@@H]3CCCCO3)CCC2)c(C)s1 ZINC000866623231 1124090994 /nfs/dbraw/zinc/09/09/94/1124090994.db2.gz SHXDPNPJUWLQNI-RISCZKNCSA-N 0 1 294.464 3.902 20 0 CHADMN CCCC[C@@H](CC)CN1CCOC[C@H]1c1cccn1C ZINC000445790573 1124100448 /nfs/dbraw/zinc/10/04/48/1124100448.db2.gz NGAPBBAWHQOPSR-WBVHZDCISA-N 0 1 278.440 3.615 20 0 CHADMN COc1ccc(-c2nc3cc(C)c(OC)cc3[nH]2)cc1OC ZINC000446159162 1124110435 /nfs/dbraw/zinc/11/04/35/1124110435.db2.gz XYHVVZZKGGLDIX-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN COc1cccc(-c2nc3cc(C)c(OC)cc3[nH]2)c1 ZINC000446158677 1124110562 /nfs/dbraw/zinc/11/05/62/1124110562.db2.gz VXSIBEPUPVUCQF-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN Cc1nc(CN2CCC[C@@H](C3CC3)C2)nc2ccccc12 ZINC000367308436 1124111852 /nfs/dbraw/zinc/11/18/52/1124111852.db2.gz PDZIUZFRYNFFGS-OAHLLOKOSA-N 0 1 281.403 3.560 20 0 CHADMN CCc1ccc(-c2noc(CN3CC[C@H](CC)C3)n2)cc1 ZINC000446726446 1124120571 /nfs/dbraw/zinc/12/05/71/1124120571.db2.gz OSJKUDFXUXPOKD-AWEZNQCLSA-N 0 1 285.391 3.531 20 0 CHADMN CCC1(CC)CCN(CC(=O)Nc2ccc(C)cc2C)C1 ZINC000446726744 1124120625 /nfs/dbraw/zinc/12/06/25/1124120625.db2.gz QPOQAAYKLRQDCZ-UHFFFAOYSA-N 0 1 288.435 3.754 20 0 CHADMN Cc1[nH]c2ccc(CN[C@H](C)c3nccnc3C)cc2c1C ZINC000446741734 1124121059 /nfs/dbraw/zinc/12/10/59/1124121059.db2.gz BXDHXCVBUFYZPJ-CQSZACIVSA-N 0 1 294.402 3.734 20 0 CHADMN C=Cn1cc(CN2CC=C(c3cc(C)cc(C)c3)CC2)cn1 ZINC000446755827 1124121430 /nfs/dbraw/zinc/12/14/30/1124121430.db2.gz ZKPFXKZGUFPCDY-UHFFFAOYSA-N 0 1 293.414 3.890 20 0 CHADMN C=Cn1cc(CN(CCC)[C@H]2CCCc3cccnc32)cn1 ZINC000446798557 1124123150 /nfs/dbraw/zinc/12/31/50/1124123150.db2.gz CNHKLKVJHRRZRV-KRWDZBQOSA-N 0 1 296.418 3.668 20 0 CHADMN CCO[C@H](CNCc1ccc(Cl)o1)c1ccccc1 ZINC000446843130 1124125497 /nfs/dbraw/zinc/12/54/97/1124125497.db2.gz KARVDJJWTGZLJP-CQSZACIVSA-N 0 1 279.767 3.800 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2csc(Cc3ccccc3)n2)C1 ZINC000525407675 1124127002 /nfs/dbraw/zinc/12/70/02/1124127002.db2.gz DYQOXSAHJANAFI-ZIAGYGMSSA-N 0 1 286.444 3.964 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2csc(-c3ccco3)n2)C1 ZINC000525423372 1124128019 /nfs/dbraw/zinc/12/80/19/1124128019.db2.gz SRGAEAKLVSCKSI-MNOVXSKESA-N 0 1 262.378 3.633 20 0 CHADMN CCc1nc(C)c(CN2CC=C(c3ccc(O)cc3)CC2)o1 ZINC000428466100 1124131428 /nfs/dbraw/zinc/13/14/28/1124131428.db2.gz VYGWFPNHENSKRX-UHFFFAOYSA-N 0 1 298.386 3.540 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H](c2ccccc2)C(C)C)cn1 ZINC000428469942 1124133079 /nfs/dbraw/zinc/13/30/79/1124133079.db2.gz XLSPFJGGYFYARA-WMLDXEAASA-N 0 1 269.392 3.833 20 0 CHADMN CCOc1cncc(CN[C@@]2(c3ccccc3)CC2(C)C)c1 ZINC000621372101 1129168315 /nfs/dbraw/zinc/16/83/15/1129168315.db2.gz PGTRLCBIZFKUCQ-LJQANCHMSA-N 0 1 296.414 3.895 20 0 CHADMN COC(C)(C)CCN[C@@H](C(F)F)C1CCCCC1 ZINC000621401651 1129173543 /nfs/dbraw/zinc/17/35/43/1129173543.db2.gz GINNQIYHTFIDHX-GFCCVEGCSA-N 0 1 263.372 3.605 20 0 CHADMN COC(C)(C)CCN[C@H](C(F)F)C1CCCCC1 ZINC000621401652 1129173711 /nfs/dbraw/zinc/17/37/11/1129173711.db2.gz GINNQIYHTFIDHX-LBPRGKRZSA-N 0 1 263.372 3.605 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@@H]3OCCC[C@@H]3C2)c1Cl ZINC001238776560 1131244161 /nfs/dbraw/zinc/24/41/61/1131244161.db2.gz HWNXSRIDAYYNIZ-DOMZBBRYSA-N 0 1 297.801 3.788 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001238780847 1131245866 /nfs/dbraw/zinc/24/58/66/1131245866.db2.gz NBJRQRMYSCWQRL-MLGOLLRUSA-N 0 1 297.801 3.788 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001238781661 1131246231 /nfs/dbraw/zinc/24/62/31/1131246231.db2.gz RMWZQIMZHCHYGP-OAHLLOKOSA-N 0 1 283.774 3.542 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CC[C@]2(CCCO2)C1 ZINC001238781661 1131246233 /nfs/dbraw/zinc/24/62/33/1131246233.db2.gz RMWZQIMZHCHYGP-OAHLLOKOSA-N 0 1 283.774 3.542 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001238781657 1131246271 /nfs/dbraw/zinc/24/62/71/1131246271.db2.gz RMWZQIMZHCHYGP-HNNXBMFYSA-N 0 1 283.774 3.542 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CC[C@@]2(CCCO2)C1 ZINC001238781657 1131246274 /nfs/dbraw/zinc/24/62/74/1131246274.db2.gz RMWZQIMZHCHYGP-HNNXBMFYSA-N 0 1 283.774 3.542 20 0 CHADMN COc1cc(F)cc(-n2[nH]c(C3CCCCC3)cc2=O)c1 ZINC001119066573 1131246465 /nfs/dbraw/zinc/24/64/65/1131246465.db2.gz ZTXAMRUCRJROMQ-UHFFFAOYSA-N 0 1 290.338 3.507 20 0 CHADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(F)=C1CCC1 ZINC000819432509 1131248035 /nfs/dbraw/zinc/24/80/35/1131248035.db2.gz AHWDMPWHOZBDHI-UHFFFAOYSA-N 0 1 295.264 3.847 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001238786589 1131248274 /nfs/dbraw/zinc/24/82/74/1131248274.db2.gz HHPPKGZVPDVZBP-SMDDNHRTSA-N 0 1 295.785 3.589 20 0 CHADMN CC(C)Oc1cc(CN2C3CCCC2CCC3)c(F)cn1 ZINC001238800721 1131249210 /nfs/dbraw/zinc/24/92/10/1131249210.db2.gz WHZRXTCPWNELPO-UHFFFAOYSA-N 0 1 292.398 3.915 20 0 CHADMN c1nc2cncc(-c3ccnc(Oc4ccccc4)c3)c2[nH]1 ZINC001238842755 1131255238 /nfs/dbraw/zinc/25/52/38/1131255238.db2.gz RHPQZUGUIOBDHR-UHFFFAOYSA-N 0 1 288.310 3.812 20 0 CHADMN CN(CCC(F)(F)F)Cc1cc2c(cccc2O)s1 ZINC001119507269 1131256691 /nfs/dbraw/zinc/25/66/91/1131256691.db2.gz CPEMJCYAUGFNQC-UHFFFAOYSA-N 0 1 289.322 3.991 20 0 CHADMN C[C@H](c1nc(Cc2ccccc2)no1)N1C[C@H](C)C[C@@H](C)C1 ZINC000525634289 1124451604 /nfs/dbraw/zinc/45/16/04/1124451604.db2.gz MNJNVWWVXIUARF-RBSFLKMASA-N 0 1 299.418 3.699 20 0 CHADMN FC(F)n1cc(-c2cccc(C3=NCCC3)c2)cn1 ZINC001238868589 1131260795 /nfs/dbraw/zinc/26/07/95/1131260795.db2.gz AVIZTTZUTIJURQ-UHFFFAOYSA-N 0 1 261.275 3.528 20 0 CHADMN Cc1ccc(CN(C)CCCOC(C)C)c(Cl)c1 ZINC000447303718 1124464582 /nfs/dbraw/zinc/46/45/82/1124464582.db2.gz ISOQFVYYSJSVJB-UHFFFAOYSA-N 0 1 269.816 3.895 20 0 CHADMN CCCN(Cc1ccn(C)n1)[C@H](CC)c1ccccc1 ZINC000508597358 1124470456 /nfs/dbraw/zinc/47/04/56/1124470456.db2.gz BLJRHQAETKBRCY-QGZVFWFLSA-N 0 1 271.408 3.783 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@]34C[C@@H]3CCCC4)c2C)o1 ZINC000868859597 1124488344 /nfs/dbraw/zinc/48/83/44/1124488344.db2.gz SSWPZQIYTQNDIP-SJCJKPOMSA-N 0 1 299.374 3.805 20 0 CHADMN C=Cn1cc(CN(C)[C@H](C)c2cc(C)ccc2C)cn1 ZINC000447727360 1124512565 /nfs/dbraw/zinc/51/25/65/1124512565.db2.gz IWPVQWRMFQEMFF-OAHLLOKOSA-N 0 1 269.392 3.793 20 0 CHADMN COCCN(CC[C@H]1CCC[C@@H](C)C1)Cc1cncs1 ZINC000447847197 1124530884 /nfs/dbraw/zinc/53/08/84/1124530884.db2.gz YNRYIUNJSLHQMN-HUUCEWRRSA-N 0 1 296.480 3.808 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1csc2ccccc12 ZINC001238890752 1131266544 /nfs/dbraw/zinc/26/65/44/1131266544.db2.gz PMNLVRBGRFLGSE-UHFFFAOYSA-N 0 1 269.304 3.979 20 0 CHADMN F[C@H]1CN(Cc2ccc3ccccc3c2)C[C@@H]2C[C@@H]21 ZINC001203997836 1124537761 /nfs/dbraw/zinc/53/77/61/1124537761.db2.gz IOLBZVVEARJUTE-ULQDDVLXSA-N 0 1 255.336 3.630 20 0 CHADMN C(=C\c1nc(-c2ccn3cncc3c2)no1)\c1cccs1 ZINC000447961545 1124549934 /nfs/dbraw/zinc/54/99/34/1124549934.db2.gz CBDWDEVCODKQGN-ARJAWSKDSA-N 0 1 294.339 3.616 20 0 CHADMN Cc1noc(C)c1CN(C)Cc1cc(C)c(C)cc1C ZINC000127346496 1124563667 /nfs/dbraw/zinc/56/36/67/1124563667.db2.gz UQXZYJXCSXKSHN-UHFFFAOYSA-N 0 1 272.392 3.849 20 0 CHADMN Cc1cc(CNC[C@H](C)c2cccc(Cl)c2)no1 ZINC000527361162 1124574672 /nfs/dbraw/zinc/57/46/72/1124574672.db2.gz JURJSXUBBYUCOF-JTQLQIEISA-N 0 1 264.756 3.530 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1cc2c(s1)CCCC2 ZINC000527359180 1124574773 /nfs/dbraw/zinc/57/47/73/1124574773.db2.gz IGCAZALBAWPEHN-LBPRGKRZSA-N 0 1 287.432 3.576 20 0 CHADMN CC(C)CCCN[C@@H](c1nccn1C)c1ccccc1 ZINC000527365894 1124576069 /nfs/dbraw/zinc/57/60/69/1124576069.db2.gz PFPKCHMRULMXLV-MRXNPFEDSA-N 0 1 271.408 3.535 20 0 CHADMN CC1(C)CCC(CC(=O)Nc2nc(C3CCC3)n[nH]2)CC1 ZINC001153736079 1124590491 /nfs/dbraw/zinc/59/04/91/1124590491.db2.gz YWTWTCYJYQHIJE-UHFFFAOYSA-N 0 1 290.411 3.617 20 0 CHADMN CC1(C)CCC(CC(=O)Nc2n[nH]c(C3CCC3)n2)CC1 ZINC001153736079 1124590497 /nfs/dbraw/zinc/59/04/97/1124590497.db2.gz YWTWTCYJYQHIJE-UHFFFAOYSA-N 0 1 290.411 3.617 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1cnc(N(C)C)s1 ZINC001120047011 1131271374 /nfs/dbraw/zinc/27/13/74/1131271374.db2.gz VWZQJLPACHYKDW-NSHDSACASA-N 0 1 293.411 3.507 20 0 CHADMN CC1=C[C@H](C)C[C@@H](C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)C1 ZINC000871621528 1124620570 /nfs/dbraw/zinc/62/05/70/1124620570.db2.gz FZFAMCKMXZAMPR-NUEKZKHPSA-N 0 1 279.424 3.556 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000871621960 1124620659 /nfs/dbraw/zinc/62/06/59/1124620659.db2.gz UREAVJLQPUGDHY-ARFHVFGLSA-N 0 1 279.424 3.556 20 0 CHADMN CC(C)(C)SCSc1nc(C(C)(C)C)n[nH]1 ZINC000871644996 1124622428 /nfs/dbraw/zinc/62/24/28/1124622428.db2.gz PBIPBKMPSPZBFJ-UHFFFAOYSA-N 0 1 259.444 3.684 20 0 CHADMN COc1cc(CN2CCO[C@H]3CCC[C@@H]32)cc2ccccc21 ZINC000449017387 1124630534 /nfs/dbraw/zinc/63/05/34/1124630534.db2.gz PITLDAMNWSJGEQ-ROUUACIJSA-N 0 1 297.398 3.602 20 0 CHADMN Cc1cccc(CN2CCC[C@H](C(F)(F)F)C2)c1F ZINC000449009032 1124631836 /nfs/dbraw/zinc/63/18/36/1124631836.db2.gz TVKMVUNMKYJGBH-LBPRGKRZSA-N 0 1 275.289 3.908 20 0 CHADMN CCOc1ccccc1CN(C)Cc1cc2cccnc2o1 ZINC000449011195 1124632400 /nfs/dbraw/zinc/63/24/00/1124632400.db2.gz PCOPXKWACICFPV-UHFFFAOYSA-N 0 1 296.370 3.859 20 0 CHADMN CN(Cc1cccc(Br)c1F)C1CCC1 ZINC000449027046 1124635134 /nfs/dbraw/zinc/63/51/34/1124635134.db2.gz HJXCPMAYCVWPKP-UHFFFAOYSA-N 0 1 272.161 3.573 20 0 CHADMN CC(C)[C@](C)(Cc1ccccc1)c1nc([C@H]2CCCN2)no1 ZINC000871788622 1124636762 /nfs/dbraw/zinc/63/67/62/1124636762.db2.gz NQHKMOGFDKNUBG-QAPCUYQASA-N 0 1 299.418 3.651 20 0 CHADMN Cc1ccccc1[C@@H](N)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000449064867 1124641007 /nfs/dbraw/zinc/64/10/07/1124641007.db2.gz WPTLLFBTHITOJG-QGZVFWFLSA-N 0 1 296.414 3.931 20 0 CHADMN CC[C@H](CC(C)C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000449075791 1124645783 /nfs/dbraw/zinc/64/57/83/1124645783.db2.gz SASQASTVUCGQDI-ZIAGYGMSSA-N 0 1 296.480 3.539 20 0 CHADMN Cc1scc(C[NH2+][C@H](C(=O)[O-])c2ccccc2C)c1C ZINC000871883811 1124651220 /nfs/dbraw/zinc/65/12/20/1124651220.db2.gz YTZASLHEPDDGBX-HNNXBMFYSA-N 0 1 289.400 3.589 20 0 CHADMN C[C@H](NC[C@@H]1C[C@H]2CCC[C@H]2O1)c1c(F)cccc1F ZINC000871932426 1124652948 /nfs/dbraw/zinc/65/29/48/1124652948.db2.gz VISBGGCEEFZVJW-OZTPJHRESA-N 0 1 281.346 3.573 20 0 CHADMN CCN(C/C=C(\C)Cl)[C@@H](C)c1cccc(O)c1 ZINC000528397400 1124653367 /nfs/dbraw/zinc/65/33/67/1124653367.db2.gz KPDANUUSUJTUES-OBIHZWKSSA-N 0 1 253.773 3.918 20 0 CHADMN O=c1cc(C2CCCC2)[nH]n1Cc1cccc2cccnc21 ZINC000871946194 1124654318 /nfs/dbraw/zinc/65/43/18/1124654318.db2.gz NMQBWJJJMGLXNE-UHFFFAOYSA-N 0 1 293.370 3.513 20 0 CHADMN CC(C)[C@H]1CCc2[nH]n(-c3cccnc3Cl)c(=O)c2C1 ZINC000871952627 1124654334 /nfs/dbraw/zinc/65/43/34/1124654334.db2.gz ITESZPZUVVTPSF-QWRGUYRKSA-N 0 1 291.782 3.510 20 0 CHADMN O=c1cc(C2CCCC2)[nH]n1-c1ccc(OC(F)F)cc1 ZINC000871950022 1124654350 /nfs/dbraw/zinc/65/43/50/1124654350.db2.gz UKJVDHWUYBLHIX-UHFFFAOYSA-N 0 1 294.301 3.571 20 0 CHADMN O=c1cc(C2CCCC2)[nH]n1Cc1cnc2ccccc2c1 ZINC000871959542 1124654427 /nfs/dbraw/zinc/65/44/27/1124654427.db2.gz SZYLJLJWAVODCH-UHFFFAOYSA-N 0 1 293.370 3.513 20 0 CHADMN C[C@@H](c1ccccc1)n1[nH]c(C2CCCC2)cc1=O ZINC000871949375 1124654620 /nfs/dbraw/zinc/65/46/20/1124654620.db2.gz YPFOSUZBRCWMHY-LBPRGKRZSA-N 0 1 256.349 3.526 20 0 CHADMN CCCCC1=NN([C@H]2CCOC3(CCCC3)C2)C(=O)[C@@H]1C ZINC000871963700 1124655573 /nfs/dbraw/zinc/65/55/73/1124655573.db2.gz KTRGSXVTOCGNNJ-KGLIPLIRSA-N 0 1 292.423 3.503 20 0 CHADMN CCCCc1[nH]n([C@H]2CCOC3(CCCC3)C2)c(=O)c1C ZINC000871963700 1124655574 /nfs/dbraw/zinc/65/55/74/1124655574.db2.gz KTRGSXVTOCGNNJ-KGLIPLIRSA-N 0 1 292.423 3.503 20 0 CHADMN CCC[C@](C)(CO)NCc1cc(Cl)sc1Cl ZINC000449140667 1124655641 /nfs/dbraw/zinc/65/56/41/1124655641.db2.gz JSJAZVCHFRVUAU-LLVKDONJSA-N 0 1 282.236 3.696 20 0 CHADMN CC(C)[C@@H]1CCc2[nH]n(C[C@@H]3CCCC3(F)F)c(=O)c2C1 ZINC000871964318 1124656040 /nfs/dbraw/zinc/65/60/40/1124656040.db2.gz WOFGIGWZMCFYLP-AGIUHOORSA-N 0 1 298.377 3.692 20 0 CHADMN Fc1ccc([C@@H]2CCCN2CCOC2CCC2)cc1F ZINC000805742727 1131275489 /nfs/dbraw/zinc/27/54/89/1131275489.db2.gz DANASMKTOGXVJA-INIZCTEOSA-N 0 1 281.346 3.671 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2cccc(O)c2F)c1 ZINC000872018122 1124657036 /nfs/dbraw/zinc/65/70/36/1124657036.db2.gz ISAFDOIANDJDLH-LBPRGKRZSA-N 0 1 259.324 3.691 20 0 CHADMN C/C(Cl)=C\CN1CCN(C/C=C(/C)Cl)C(C)(C)C1 ZINC000528416469 1124657721 /nfs/dbraw/zinc/65/77/21/1124657721.db2.gz NBBPWUNESXIEMQ-GFZODGFISA-N 0 1 291.266 3.668 20 0 CHADMN CC(C)[C@H](O)CCNCc1cc(Cl)sc1Cl ZINC000449158589 1124658067 /nfs/dbraw/zinc/65/80/67/1124658067.db2.gz ZCYVGBFUPGPMIP-SECBINFHSA-N 0 1 282.236 3.552 20 0 CHADMN Cn1nccc1CN[C@@H]1CC(C)(C)Sc2ccccc21 ZINC000872021377 1124659349 /nfs/dbraw/zinc/65/93/49/1124659349.db2.gz OSRMVILMSGSDMG-CQSZACIVSA-N 0 1 287.432 3.525 20 0 CHADMN C/C(Cl)=C\CN1CCC(OCc2ccccc2F)CC1 ZINC000528428912 1124659617 /nfs/dbraw/zinc/65/96/17/1124659617.db2.gz HOXCLPYMEXSTNJ-AWNIVKPZSA-N 0 1 297.801 3.949 20 0 CHADMN Cc1ccsc1CN[C@H](C)c1cc(O)ccc1F ZINC000872028391 1124660427 /nfs/dbraw/zinc/66/04/27/1124660427.db2.gz QMEHODBJADXDIG-SNVBAGLBSA-N 0 1 265.353 3.752 20 0 CHADMN CC(C)c1nnc(CN[C@@H](C)CC(C)(C)C)s1 ZINC000449194624 1124664327 /nfs/dbraw/zinc/66/43/27/1124664327.db2.gz UXONZSIJIWQVRX-JTQLQIEISA-N 0 1 255.431 3.576 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccncc2F)ccc1F ZINC000449183977 1124666536 /nfs/dbraw/zinc/66/65/36/1124666536.db2.gz MDFFHPYMTXEDJJ-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN C[C@H]1CC[C@]2(CCN(Cc3ncccc3Cl)C2)C1 ZINC000528439705 1124666982 /nfs/dbraw/zinc/66/69/82/1124666982.db2.gz FTKHIQJROYDISG-WFASDCNBSA-N 0 1 264.800 3.747 20 0 CHADMN C/C(Cl)=C\CN1CC[C@H](C(F)(F)F)C1(C)C ZINC000528475186 1124675241 /nfs/dbraw/zinc/67/52/41/1124675241.db2.gz QHLWNGRNCLGPNR-SGDMMICCSA-N 0 1 255.711 3.792 20 0 CHADMN C/C(Cl)=C/CN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000528526144 1124682577 /nfs/dbraw/zinc/68/25/77/1124682577.db2.gz PKEBCDRGZAYLCG-VFXTVZEFSA-N 0 1 291.822 3.983 20 0 CHADMN CCn1nnc(C)c1CN[C@H]1CCc2ccc(C(C)C)cc21 ZINC000449260985 1124684057 /nfs/dbraw/zinc/68/40/57/1124684057.db2.gz YQJDEBWNLOPLPD-KRWDZBQOSA-N 0 1 298.434 3.507 20 0 CHADMN Cc1ncncc1[C@H](C)NCc1cccc(OC(C)(C)C)c1 ZINC000872113750 1124687197 /nfs/dbraw/zinc/68/71/97/1124687197.db2.gz SGHUQLMFIRPKBR-ZDUSSCGKSA-N 0 1 299.418 3.813 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc3oc(=O)[nH]c3c2)oc1C ZINC000872121484 1124688841 /nfs/dbraw/zinc/68/88/41/1124688841.db2.gz CQPBYJQFNMQDMB-SNVBAGLBSA-N 0 1 286.331 3.594 20 0 CHADMN FC(F)(F)[C@H]1CC=CC[C@H]1NCc1ncccc1Cl ZINC000528559691 1124689903 /nfs/dbraw/zinc/68/99/03/1124689903.db2.gz BWOZKZQOSHMHQZ-GXSJLCMTSA-N 0 1 290.716 3.722 20 0 CHADMN CCN(Cc1ccc(C)cc1OC)[C@H](C)c1cccnc1 ZINC000449332855 1124690581 /nfs/dbraw/zinc/69/05/81/1124690581.db2.gz SWJLAYKFCQKEOO-OAHLLOKOSA-N 0 1 284.403 3.982 20 0 CHADMN COc1cccc2c1CCC[C@H]2N[C@H](C)c1nccnc1C ZINC000872131815 1124691420 /nfs/dbraw/zinc/69/14/20/1124691420.db2.gz AEWBXAMMYORNGN-CZUORRHYSA-N 0 1 297.402 3.522 20 0 CHADMN COc1cccc2c1CCC[C@H]2N[C@@H](C)c1nccnc1C ZINC000872131816 1124691695 /nfs/dbraw/zinc/69/16/95/1124691695.db2.gz AEWBXAMMYORNGN-XJKSGUPXSA-N 0 1 297.402 3.522 20 0 CHADMN CC[C@H](N[C@@H](C)c1nccnc1C)c1cccc(F)c1 ZINC000872135673 1124693876 /nfs/dbraw/zinc/69/38/76/1124693876.db2.gz XWJICACKDMYDOZ-WFASDCNBSA-N 0 1 273.355 3.726 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nccnc1C)c1cccc(F)c1 ZINC000872135672 1124694075 /nfs/dbraw/zinc/69/40/75/1124694075.db2.gz XWJICACKDMYDOZ-SWLSCSKDSA-N 0 1 273.355 3.726 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2nccnc2C)cs1 ZINC000872135025 1124694132 /nfs/dbraw/zinc/69/41/32/1124694132.db2.gz URMTWHXEBHBATA-CMPLNLGQSA-N 0 1 261.394 3.567 20 0 CHADMN CC1(C)CN(Cc2ccnn2C2CCCC2)[C@H]1C1CC1 ZINC000449341380 1124694460 /nfs/dbraw/zinc/69/44/60/1124694460.db2.gz YWKKIEKTVXHGMH-INIZCTEOSA-N 0 1 273.424 3.619 20 0 CHADMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1cc(C(=O)[O-])cs1)C1CC1 ZINC000872157148 1124695902 /nfs/dbraw/zinc/69/59/02/1124695902.db2.gz LXVLTGVMRZDFLW-MNOVXSKESA-N 0 1 281.421 3.845 20 0 CHADMN O=C([O-])c1csc(C[N@H+]2CCCC3(CCCC3)CC2)c1 ZINC000872160135 1124696417 /nfs/dbraw/zinc/69/64/17/1124696417.db2.gz BCRDJQQSQFFMLU-UHFFFAOYSA-N 0 1 293.432 3.993 20 0 CHADMN C[C@@H](C[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C)CC(C)(C)C ZINC000872161888 1124696446 /nfs/dbraw/zinc/69/64/46/1124696446.db2.gz GLACDYHXROPUTL-XJFOESAGSA-N 0 1 269.429 3.632 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000872158630 1124696766 /nfs/dbraw/zinc/69/67/66/1124696766.db2.gz HGLYGVAOQCVORN-UHIISALHSA-N 0 1 279.405 3.599 20 0 CHADMN CC1(C)CCC(=CC(=O)Nc2n[nH]c3cc(O)ccc32)CC1 ZINC000820213038 1131277813 /nfs/dbraw/zinc/27/78/13/1131277813.db2.gz GIXVYKKNDISCKT-UHFFFAOYSA-N 0 1 299.374 3.734 20 0 CHADMN C[C@H](C[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1)CC(C)(C)C ZINC000872159446 1124696977 /nfs/dbraw/zinc/69/69/77/1124696977.db2.gz GYCUSYBEGALZDN-ZDUSSCGKSA-N 0 1 295.398 3.785 20 0 CHADMN C[C@H](C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1)CC(C)(C)C ZINC000872159478 1124697121 /nfs/dbraw/zinc/69/71/21/1124697121.db2.gz IGDFFHGMXBNLNR-BBRMVZONSA-N 0 1 289.419 3.743 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cccc(OC(F)F)c2)C1 ZINC000449347101 1124697180 /nfs/dbraw/zinc/69/71/80/1124697180.db2.gz BJFKDCYJWATKNK-CQSZACIVSA-N 0 1 273.298 3.612 20 0 CHADMN COCc1ccc(CN[C@@H]2CCCc3c(F)cccc32)o1 ZINC000449351497 1124697830 /nfs/dbraw/zinc/69/78/30/1124697830.db2.gz PWAWLEPIPKKZQM-QGZVFWFLSA-N 0 1 289.350 3.732 20 0 CHADMN Cc1cccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1F ZINC000449335546 1124697920 /nfs/dbraw/zinc/69/79/20/1124697920.db2.gz LCVADOYRFDDOEO-DOTOQJQBSA-N 0 1 289.394 3.668 20 0 CHADMN Cc1cc(CN)oc1-c1nc([C@H](C)c2ccccc2C)no1 ZINC000872175573 1124698426 /nfs/dbraw/zinc/69/84/26/1124698426.db2.gz NQSRXNOBRSFMPL-GFCCVEGCSA-N 0 1 297.358 3.557 20 0 CHADMN CCn1nnc(C)c1CN(C(C)C)[C@H](C)c1ccccc1 ZINC000449337367 1124699277 /nfs/dbraw/zinc/69/92/77/1124699277.db2.gz RFWLYIBYVIYJKQ-OAHLLOKOSA-N 0 1 286.423 3.578 20 0 CHADMN Fc1ccc(CN2CCC[C@@H](OC3CCC3)CC2)c(F)c1 ZINC000872260187 1124699449 /nfs/dbraw/zinc/69/94/49/1124699449.db2.gz KWNKGXVUJMYJMK-MRXNPFEDSA-N 0 1 295.373 3.888 20 0 CHADMN Clc1cccnc1CN1CCC[C@@H](OC2CCC2)CC1 ZINC000872283342 1124702407 /nfs/dbraw/zinc/70/24/07/1124702407.db2.gz JCSJMAOPBBWONB-CQSZACIVSA-N 0 1 294.826 3.659 20 0 CHADMN C[C@@H]1C[C@@H](CN2CCc3c(Cl)cc(F)cc3C2)CCO1 ZINC000449372090 1124703843 /nfs/dbraw/zinc/70/38/43/1124703843.db2.gz CGUZJSZNLZURAQ-NEPJUHHUSA-N 0 1 297.801 3.652 20 0 CHADMN C[C@@H]1CN(Cc2ccc(N3CCCC3)o2)Cc2ccccc21 ZINC001137060725 1124719880 /nfs/dbraw/zinc/71/98/80/1124719880.db2.gz CFTAKWJFASSKQU-OAHLLOKOSA-N 0 1 296.414 3.999 20 0 CHADMN CCCC[C@H](CC)CN1CC2CC1(c1nc(C)no1)C2 ZINC000528625638 1124722896 /nfs/dbraw/zinc/72/28/96/1124722896.db2.gz XSCJRVLTCNJJJS-HLIUYOAVSA-N 0 1 277.412 3.515 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2ccc(N3CCCC3)o2)C1 ZINC001137061179 1124724093 /nfs/dbraw/zinc/72/40/93/1124724093.db2.gz OYUVPHGVTMFEAG-MRXNPFEDSA-N 0 1 280.387 3.594 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccccn2)C2CCC2)c(C)n1 ZINC000528658160 1124732475 /nfs/dbraw/zinc/73/24/75/1124732475.db2.gz LUNJRZLAWHTDOT-GOSISDBHSA-N 0 1 281.403 3.724 20 0 CHADMN CC(F)(F)C(C)(C)CNCc1nc2cc(F)ccc2o1 ZINC000873149058 1124741626 /nfs/dbraw/zinc/74/16/26/1124741626.db2.gz KUQXJQQHTRLGJH-UHFFFAOYSA-N 0 1 286.297 3.738 20 0 CHADMN CN(Cc1cc(F)cc(Cl)c1)[C@@H](CO)c1ccccc1 ZINC000449450105 1124743590 /nfs/dbraw/zinc/74/35/90/1124743590.db2.gz FOBLQXAFWLTPDS-INIZCTEOSA-N 0 1 293.769 3.645 20 0 CHADMN CCCc1ccc(CN[C@@H](C)c2nccnc2C)cc1 ZINC000873188530 1124750045 /nfs/dbraw/zinc/75/00/45/1124750045.db2.gz JMXCSZMGXQYJRB-AWEZNQCLSA-N 0 1 269.392 3.588 20 0 CHADMN COc1ccc(CNC2(C)CC(F)(F)C2)c(Cl)c1 ZINC000873198176 1124751840 /nfs/dbraw/zinc/75/18/40/1124751840.db2.gz WAZWQYGGONWHAY-UHFFFAOYSA-N 0 1 275.726 3.626 20 0 CHADMN CC(C)c1ccc([C@@H](NCc2cnc(N)cn2)C(C)C)cc1 ZINC000873212712 1124752711 /nfs/dbraw/zinc/75/27/11/1124752711.db2.gz QNDRQFGSDPJDEH-SFHVURJKSA-N 0 1 298.434 3.669 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cc(N)cc(F)c1 ZINC000873287040 1124759490 /nfs/dbraw/zinc/75/94/90/1124759490.db2.gz BDZXFBYHRAJJRF-LBPRGKRZSA-N 0 1 288.366 3.576 20 0 CHADMN CO[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000449492537 1124761259 /nfs/dbraw/zinc/76/12/59/1124761259.db2.gz CCEYSLUDPRAIDK-FZMZJTMJSA-N 0 1 287.325 3.562 20 0 CHADMN CC(C)C[C@H](NCc1cc(N)cc(F)c1)c1ccccn1 ZINC000873288610 1124761486 /nfs/dbraw/zinc/76/14/86/1124761486.db2.gz JLBZDJZLUPFUON-KRWDZBQOSA-N 0 1 287.382 3.680 20 0 CHADMN CCO[C@H]1CCN(Cc2cccc(Cl)c2F)C[C@@H]1C ZINC000449492134 1124761693 /nfs/dbraw/zinc/76/16/93/1124761693.db2.gz IOAWINGESHNBHH-FZMZJTMJSA-N 0 1 285.790 3.726 20 0 CHADMN COc1cccc(-c2cc3[nH]cnc3cc2C)c1C ZINC001238982365 1131285618 /nfs/dbraw/zinc/28/56/18/1131285618.db2.gz GGIAATLJSATKRR-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN COc1cccc(-c2cccc(CN(C)C)c2F)c1C ZINC001238994315 1131288449 /nfs/dbraw/zinc/28/84/49/1131288449.db2.gz UNXSFXLLQAHMAN-UHFFFAOYSA-N 0 1 273.351 3.871 20 0 CHADMN O=C(C=C1CCCCC1)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000820465104 1131289135 /nfs/dbraw/zinc/28/91/35/1131289135.db2.gz DBULTOBAQHNDFZ-UHFFFAOYSA-N 0 1 297.358 3.611 20 0 CHADMN CCn1ccnc1[C@@H](C)NC/C=C\c1ccc(F)c(F)c1 ZINC000449567915 1124805223 /nfs/dbraw/zinc/80/52/23/1124805223.db2.gz ZJVRLXRYAWGNRR-QMAVJUDZSA-N 0 1 291.345 3.545 20 0 CHADMN CCn1ccnc1[C@@H](C)NC/C(C)=C/c1ccccc1 ZINC000449563667 1124806015 /nfs/dbraw/zinc/80/60/15/1124806015.db2.gz XPJDGQZJMSSVNO-OKFGHLOFSA-N 0 1 269.392 3.657 20 0 CHADMN CCCc1ncc(CNCc2ccc(C)cc2C)o1 ZINC000449613584 1124817263 /nfs/dbraw/zinc/81/72/63/1124817263.db2.gz SIHAEIISNKRMFN-UHFFFAOYSA-N 0 1 258.365 3.534 20 0 CHADMN CC1(C)COC[C@@H]1NCc1csc(Cl)c1Cl ZINC000449626088 1124824985 /nfs/dbraw/zinc/82/49/85/1124824985.db2.gz VHOOGQOIBIPAFY-QMMMGPOBSA-N 0 1 280.220 3.570 20 0 CHADMN Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@@H](C)N(C)C ZINC000874272490 1124825148 /nfs/dbraw/zinc/82/51/48/1124825148.db2.gz FTXJRYBRDDIDHR-GFCCVEGCSA-N 0 1 294.464 3.774 20 0 CHADMN CO[C@H]1C[C@@H](N(C)Cc2cnc(C(C)C)s2)C12CCC2 ZINC000449630393 1124825756 /nfs/dbraw/zinc/82/57/56/1124825756.db2.gz HTYTYLVYZWMFSS-KGLIPLIRSA-N 0 1 294.464 3.656 20 0 CHADMN FC(F)[C@@H](CCc1ccccc1)NCCC[C@@H]1CCOC1 ZINC000449684873 1124836960 /nfs/dbraw/zinc/83/69/60/1124836960.db2.gz QMJPHBVQCWLRTH-HZPDHXFCSA-N 0 1 297.389 3.659 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2NCc1cnc(C2CC2)o1 ZINC000449700913 1124841846 /nfs/dbraw/zinc/84/18/46/1124841846.db2.gz BMQCVVZVEYIJCD-KRWDZBQOSA-N 0 1 298.386 3.728 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@]2(CCSC2)C1 ZINC000449730929 1124848267 /nfs/dbraw/zinc/84/82/67/1124848267.db2.gz GWLLZTJMZPSMEH-HNNXBMFYSA-N 0 1 283.387 3.684 20 0 CHADMN Cc1ccc2cc(CN3CCC(F)(F)CC3)[nH]c2c1 ZINC000825749580 1124856468 /nfs/dbraw/zinc/85/64/68/1124856468.db2.gz VFNBDNSLHOJADG-UHFFFAOYSA-N 0 1 264.319 3.707 20 0 CHADMN Cc1ccoc1CN[C@H](c1cccs1)C1(CO)CCC1 ZINC000449768768 1124865122 /nfs/dbraw/zinc/86/51/22/1124865122.db2.gz TVACTYNVGRWFSE-OAHLLOKOSA-N 0 1 291.416 3.643 20 0 CHADMN CC(C)[C@@H]1N(Cc2cncc(F)c2)CC12CCCC2 ZINC000449790842 1124875969 /nfs/dbraw/zinc/87/59/69/1124875969.db2.gz MLXIAAPSDBSFPI-HNNXBMFYSA-N 0 1 262.372 3.621 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000529148328 1124900928 /nfs/dbraw/zinc/90/09/28/1124900928.db2.gz CHDIUIMOKMWJLU-QWHCGFSZSA-N 0 1 297.383 3.675 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC2(C1)CCCCC2 ZINC000120391721 1124927596 /nfs/dbraw/zinc/92/75/96/1124927596.db2.gz FZVZXIDIZLNOHV-UHFFFAOYSA-N 0 1 289.423 3.638 20 0 CHADMN CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000450136744 1124933212 /nfs/dbraw/zinc/93/32/12/1124933212.db2.gz YEWXHHUKDKHFMI-BDAKNGLRSA-N 0 1 289.301 3.583 20 0 CHADMN CN(Cc1cccnc1Br)C1CCCCC1 ZINC000876524492 1124957189 /nfs/dbraw/zinc/95/71/89/1124957189.db2.gz RZXDUSPEFRUSJN-UHFFFAOYSA-N 0 1 283.213 3.609 20 0 CHADMN Clc1nccc2oc(CN3C4CCC3CC4)cc21 ZINC000876559940 1124958950 /nfs/dbraw/zinc/95/89/50/1124958950.db2.gz CDAYTCPPVJZTAW-UHFFFAOYSA-N 0 1 262.740 3.608 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2cccc3ncccc23)no1 ZINC000876592474 1124962964 /nfs/dbraw/zinc/96/29/64/1124962964.db2.gz QCLDYAHHAWDUJA-GOSISDBHSA-N 0 1 293.370 3.868 20 0 CHADMN Clc1ccc(CN(C2CC2)[C@@H]2CCc3ccccc32)nn1 ZINC000876628057 1124965779 /nfs/dbraw/zinc/96/57/79/1124965779.db2.gz WUESPMYAJPCJFC-MRXNPFEDSA-N 0 1 299.805 3.782 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@H]2C2CCCC2)s1 ZINC000450292963 1124974847 /nfs/dbraw/zinc/97/48/47/1124974847.db2.gz XKCUAYVUOSBZOB-ZDUSSCGKSA-N 0 1 279.453 3.816 20 0 CHADMN CCC[C@H]1CCC[C@@H]1C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000450313695 1124977259 /nfs/dbraw/zinc/97/72/59/1124977259.db2.gz RMAVBYGTGVJFON-KBPBESRZSA-N 0 1 299.418 3.704 20 0 CHADMN CC(C)c1ccc(OCCNCc2ccc(F)cn2)cc1 ZINC000529529466 1124980657 /nfs/dbraw/zinc/98/06/57/1124980657.db2.gz AYOUCBLKGQOUPE-UHFFFAOYSA-N 0 1 288.366 3.513 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1ccc(C2CC2)cc1 ZINC001136430147 1131323008 /nfs/dbraw/zinc/32/30/08/1131323008.db2.gz FETJACHCDCNKKS-UHFFFAOYSA-N 0 1 277.327 3.693 20 0 CHADMN CN(CCC(F)(F)F)Cc1ccc2cc[nH]c2c1 ZINC000529526081 1124984714 /nfs/dbraw/zinc/98/47/14/1124984714.db2.gz QMKPVTPOCIOXFI-UHFFFAOYSA-N 0 1 256.271 3.552 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1cnn(C)c1)c1ccc(F)cc1F ZINC000120824545 1124994060 /nfs/dbraw/zinc/99/40/60/1124994060.db2.gz YFZUMFVRBVYROP-ZBEGNZNMSA-N 0 1 293.361 3.746 20 0 CHADMN CCO[C@H](C)c1nc(C[N@@H+](CC)CC(C)C)cs1 ZINC000120831993 1124994194 /nfs/dbraw/zinc/99/41/94/1124994194.db2.gz UNEKXMCVWPLGAN-GFCCVEGCSA-N 0 1 270.442 3.719 20 0 CHADMN CCO[C@H](C)c1nc(CN(CC)CC(C)C)cs1 ZINC000120831993 1124994197 /nfs/dbraw/zinc/99/41/97/1124994197.db2.gz UNEKXMCVWPLGAN-GFCCVEGCSA-N 0 1 270.442 3.719 20 0 CHADMN CO[C@@H]1CCN(Cc2ccsc2C(F)(F)F)C[C@H]1C ZINC000529595137 1125005880 /nfs/dbraw/zinc/00/58/80/1125005880.db2.gz SOSFCVUPSJPGTL-MWLCHTKSSA-N 0 1 293.354 3.624 20 0 CHADMN Clc1cccc2c1OC[C@H]2NC[C@H]1CC1(Cl)Cl ZINC000877095515 1125009764 /nfs/dbraw/zinc/00/97/64/1125009764.db2.gz QQTSOGMNSSWFHE-GMSGAONNSA-N 0 1 292.593 3.557 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(Cl)nn1 ZINC000877128334 1125011674 /nfs/dbraw/zinc/01/16/74/1125011674.db2.gz GHBAQHRQPZWUCA-BDJLRTHQSA-N 0 1 287.794 3.543 20 0 CHADMN CC[C@@H](NCc1c[nH]nc1C)c1ccccc1OC(F)F ZINC000120948661 1125012492 /nfs/dbraw/zinc/01/24/92/1125012492.db2.gz VIXDKSIJBXVRTO-CYBMUJFWSA-N 0 1 295.333 3.560 20 0 CHADMN CN(C(=O)c1cccc(F)c1O)[C@H]1CCCc2ccccc21 ZINC001124117274 1131325401 /nfs/dbraw/zinc/32/54/01/1131325401.db2.gz NOPCUVSFKWEJST-INIZCTEOSA-N 0 1 299.345 3.681 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@@H](C)N([C@H](C)c2csnn2)C1 ZINC000450420462 1125020114 /nfs/dbraw/zinc/02/01/14/1125020114.db2.gz KAUHLAZMCKBUSR-MGPQQGTHSA-N 0 1 287.432 3.786 20 0 CHADMN Cc1c(Cl)cccc1CN(C)Cc1ccccn1 ZINC000877319409 1125022573 /nfs/dbraw/zinc/02/25/73/1125022573.db2.gz WMPMGYHPHCIBJK-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN COc1ccc(Cl)cc1CSc1nc(C2CC2)n[nH]1 ZINC000022546034 1125022676 /nfs/dbraw/zinc/02/26/76/1125022676.db2.gz FOHHNSUEINPALG-UHFFFAOYSA-N 0 1 295.795 3.636 20 0 CHADMN COc1ccc(Cl)cc1CSc1n[nH]c(C2CC2)n1 ZINC000022546034 1125022684 /nfs/dbraw/zinc/02/26/84/1125022684.db2.gz FOHHNSUEINPALG-UHFFFAOYSA-N 0 1 295.795 3.636 20 0 CHADMN CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C(C)=O)ccc1O ZINC000450436175 1125024017 /nfs/dbraw/zinc/02/40/17/1125024017.db2.gz IUPPNWDATQKFIU-OCCSQVGLSA-N 0 1 289.375 3.750 20 0 CHADMN C[C@@]1(CN2CCC[C@H]2c2ncc[nH]2)C[C@H]1c1ccccc1 ZINC000877344863 1125024764 /nfs/dbraw/zinc/02/47/64/1125024764.db2.gz QHAGPLWFHQBZMT-BQFCYCMXSA-N 0 1 281.403 3.740 20 0 CHADMN Cc1cccc(CN(C)Cc2cc3c(cc[nH]c3=O)o2)c1C ZINC000877544620 1125043398 /nfs/dbraw/zinc/04/33/98/1125043398.db2.gz ZZFZKVWFAYCKQW-UHFFFAOYSA-N 0 1 296.370 3.782 20 0 CHADMN Cn1c(CN2CCC[C@@]3(CC3(F)F)C2)cc2ccccc21 ZINC000877614573 1125053938 /nfs/dbraw/zinc/05/39/38/1125053938.db2.gz JMDHAEBHLYNPPD-MRXNPFEDSA-N 0 1 290.357 3.800 20 0 CHADMN COc1ccc2nc(SCCC(C)(F)F)[nH]c2c1 ZINC000450577496 1125060579 /nfs/dbraw/zinc/06/05/79/1125060579.db2.gz DWUUVWHNGFCXAX-UHFFFAOYSA-N 0 1 272.320 3.709 20 0 CHADMN CC[C@](C)(NCc1cc(F)ncc1F)c1ccc(F)cc1 ZINC000877666061 1125061939 /nfs/dbraw/zinc/06/19/39/1125061939.db2.gz UKLJTXDRAPMNMD-INIZCTEOSA-N 0 1 294.320 3.914 20 0 CHADMN CC(C)(C)c1cnc(CN2CC[C@@H]3CSC[C@H]3C2)s1 ZINC000877738753 1125071476 /nfs/dbraw/zinc/07/14/76/1125071476.db2.gz PUZNHMWLYKVARG-VXGBXAGGSA-N 0 1 296.505 3.626 20 0 CHADMN Clc1sccc1CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000877740538 1125072369 /nfs/dbraw/zinc/07/23/69/1125072369.db2.gz WESFHRDPKBZTSK-MNOVXSKESA-N 0 1 273.854 3.586 20 0 CHADMN Fc1ccc(Cl)cc1CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000121253407 1125073951 /nfs/dbraw/zinc/07/39/51/1125073951.db2.gz PVVQAGUKUUYITB-NSHDSACASA-N 0 1 293.773 3.582 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1C[C@@H](C)C[C@H](C)C1 ZINC000007811861 1125075962 /nfs/dbraw/zinc/07/59/62/1125075962.db2.gz ZFJPWWMSQBZYSB-RYUDHWBXSA-N 0 1 294.826 3.565 20 0 CHADMN FC1(F)CC(CN2CCc3ccc(Cl)cc3C2)C1 ZINC000450636696 1125076907 /nfs/dbraw/zinc/07/69/07/1125076907.db2.gz OAVHCBLQNLLVIN-UHFFFAOYSA-N 0 1 271.738 3.743 20 0 CHADMN c1nnsc1CN1CCCC[C@H]1CCc1ccccc1 ZINC000450638942 1125077221 /nfs/dbraw/zinc/07/72/21/1125077221.db2.gz UXAGIZHZKMVFMJ-HNNXBMFYSA-N 0 1 287.432 3.525 20 0 CHADMN CC1(C)CCc2onc(CN[C@@H]3CCC34CCC4)c2C1 ZINC000877810227 1125083044 /nfs/dbraw/zinc/08/30/44/1125083044.db2.gz RHVYCIQKLHZCIK-OAHLLOKOSA-N 0 1 274.408 3.612 20 0 CHADMN FC1(F)CCC[C@@H]1CSc1nc(-c2ccccc2)n[nH]1 ZINC000450678842 1125083513 /nfs/dbraw/zinc/08/35/13/1125083513.db2.gz IQEKMJJLKGEWPF-LLVKDONJSA-N 0 1 295.358 3.999 20 0 CHADMN C[C@@H](O)CCCNC1(c2c(Cl)cccc2Cl)CC1 ZINC000450682209 1125085894 /nfs/dbraw/zinc/08/58/94/1125085894.db2.gz NFMXABAWJFZWBS-SNVBAGLBSA-N 0 1 288.218 3.733 20 0 CHADMN CC(C)c1nnc(CN2CC[C@H](C(C)(C)C)C2)s1 ZINC000450719024 1125094449 /nfs/dbraw/zinc/09/44/49/1125094449.db2.gz PADQLAVEDIZZKS-NSHDSACASA-N 0 1 267.442 3.530 20 0 CHADMN CS[C@@H]1CCN([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000451324679 1125154083 /nfs/dbraw/zinc/15/40/83/1125154083.db2.gz ZFZAYMVFUODTMP-MWLCHTKSSA-N 0 1 273.804 3.977 20 0 CHADMN CCCc1ccc(NC(=O)c2cc(C(F)F)n[nH]2)cc1 ZINC000878016129 1125114369 /nfs/dbraw/zinc/11/43/69/1125114369.db2.gz INLMSIWHOYOZJJ-UHFFFAOYSA-N 0 1 279.290 3.552 20 0 CHADMN C[C@@H](CN(C)Cc1nc2c(o1)CCCC2)c1ccccc1 ZINC000878044040 1125115229 /nfs/dbraw/zinc/11/52/29/1125115229.db2.gz LUPCCZPGCMTHBU-AWEZNQCLSA-N 0 1 284.403 3.789 20 0 CHADMN CC(C)(C)[C@H]1CCCN1Cc1nc2c(o1)CCCC2 ZINC000878054891 1125115479 /nfs/dbraw/zinc/11/54/79/1125115479.db2.gz MXHYLZURSSYZSH-CQSZACIVSA-N 0 1 262.397 3.564 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000878064372 1125116765 /nfs/dbraw/zinc/11/67/65/1125116765.db2.gz RRZUQKXSLZWKKX-PXAZEXFGSA-N 0 1 297.402 3.838 20 0 CHADMN FC1(F)CCC[C@H]1CCN1Cc2ccccc2C1 ZINC000878078644 1125117084 /nfs/dbraw/zinc/11/70/84/1125117084.db2.gz FXUYSEQNOPEISU-AWEZNQCLSA-N 0 1 251.320 3.828 20 0 CHADMN Cc1conc1CN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000878099675 1125120730 /nfs/dbraw/zinc/12/07/30/1125120730.db2.gz ZKXKZPYWXBKQNF-ZDUSSCGKSA-N 0 1 276.767 3.626 20 0 CHADMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC000878152159 1125124080 /nfs/dbraw/zinc/12/40/80/1125124080.db2.gz WBLYABAWFSKMGJ-CHWSQXEVSA-N 0 1 294.464 3.659 20 0 CHADMN CCS[C@@H]1CC[C@@H](N(C)Cc2nc3c(o2)CCCC3)C1 ZINC000878152159 1125124083 /nfs/dbraw/zinc/12/40/83/1125124083.db2.gz WBLYABAWFSKMGJ-CHWSQXEVSA-N 0 1 294.464 3.659 20 0 CHADMN CN(Cc1ccc(Cl)nc1)C[C@@H]1CCCC(C)(C)O1 ZINC000878166868 1125127092 /nfs/dbraw/zinc/12/70/92/1125127092.db2.gz IJMQNUGYQIJYFE-ZDUSSCGKSA-N 0 1 282.815 3.515 20 0 CHADMN Fc1cccc([C@H]2CCN2C[C@@H]2CC3(CCC3)CO2)c1 ZINC000878165736 1125127765 /nfs/dbraw/zinc/12/77/65/1125127765.db2.gz DBTSAPLJSJBZKU-JKSUJKDBSA-N 0 1 275.367 3.532 20 0 CHADMN CCc1ccc([C@@H](CC(C)C)[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000530162640 1125128630 /nfs/dbraw/zinc/12/86/30/1125128630.db2.gz YXLFUAMVBLLSFY-IAGOWNOFSA-N 0 1 289.419 3.743 20 0 CHADMN Cc1ccccc1CCC[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000530177600 1125129758 /nfs/dbraw/zinc/12/97/58/1125129758.db2.gz XATXQXISVGJUDE-SCAQPMJSSA-N 0 1 289.419 3.501 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccoc1C(=O)[O-])C1CCCCC1 ZINC000530173533 1125130526 /nfs/dbraw/zinc/13/05/26/1125130526.db2.gz QJVHYXPUUWKKDG-GFCCVEGCSA-N 0 1 279.380 3.626 20 0 CHADMN CCCc1ccccc1NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878205027 1125131106 /nfs/dbraw/zinc/13/11/06/1125131106.db2.gz DLQPWIHAXKIAFN-YVEFUNNKSA-N 0 1 297.402 3.667 20 0 CHADMN CC[C@@](C)(NC[C@H]1CCCC(C)(C)O1)c1nccs1 ZINC000878254416 1125135370 /nfs/dbraw/zinc/13/53/70/1125135370.db2.gz VNDPBBMJJMNQFO-IUODEOHRSA-N 0 1 282.453 3.706 20 0 CHADMN C[C@@H]1SCCN(Cc2ccc(Cl)cc2)[C@H]1C ZINC000303657099 1125137393 /nfs/dbraw/zinc/13/73/93/1125137393.db2.gz CPXPOSFFWUITCH-QWRGUYRKSA-N 0 1 255.814 3.666 20 0 CHADMN FC1(F)CC2(CN(C[C@@H]3CC[C@H](c4ccccc4)O3)C2)C1 ZINC000878321081 1125141950 /nfs/dbraw/zinc/14/19/50/1125141950.db2.gz MLDCHZPLZOOABM-LSDHHAIUSA-N 0 1 293.357 3.638 20 0 CHADMN C[C@H](c1ccc(CN2CC[C@H](F)C2)cc1)C(F)(F)F ZINC000451201108 1125142662 /nfs/dbraw/zinc/14/26/62/1125142662.db2.gz UGVZWGVVGCVGOM-MFKMUULPSA-N 0 1 275.289 3.896 20 0 CHADMN Cc1ncc2c(n1)CC[N@H+](C/C=C\c1ccc(Cl)cc1)C2 ZINC000530338123 1125143917 /nfs/dbraw/zinc/14/39/17/1125143917.db2.gz WAUPSIOGOANQET-IHWYPQMZSA-N 0 1 299.805 3.510 20 0 CHADMN Cc1ncc2c(n1)CCN(C/C=C\c1ccc(Cl)cc1)C2 ZINC000530338123 1125143921 /nfs/dbraw/zinc/14/39/21/1125143921.db2.gz WAUPSIOGOANQET-IHWYPQMZSA-N 0 1 299.805 3.510 20 0 CHADMN CC1CCC(C)(CN[C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000530366111 1125145767 /nfs/dbraw/zinc/14/57/67/1125145767.db2.gz KNIKNCVXUHVLIQ-HQVVEAJESA-N 0 1 298.434 3.700 20 0 CHADMN Cc1conc1CN1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000878384576 1125147596 /nfs/dbraw/zinc/14/75/96/1125147596.db2.gz GEFOBONIORBIGE-CQSZACIVSA-N 0 1 288.366 3.892 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2nc3c(o2)CCCC3)[C@H]2CCCC[C@H]12 ZINC000878399810 1125149106 /nfs/dbraw/zinc/14/91/06/1125149106.db2.gz QPDFUKDEIZWXCB-NFAWXSAZSA-N 0 1 274.408 3.564 20 0 CHADMN Cc1ccncc1CN(C)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878540288 1125159579 /nfs/dbraw/zinc/15/95/79/1125159579.db2.gz LMXXVAMFILJRFJ-OALUTQOASA-N 0 1 296.414 3.742 20 0 CHADMN CCN(Cc1scnc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000878625267 1125167601 /nfs/dbraw/zinc/16/76/01/1125167601.db2.gz PFOSGIWYCLMLLX-JTQLQIEISA-N 0 1 288.844 3.576 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)Cc1cnn(C(C)(C)C)c1 ZINC000122190458 1125178108 /nfs/dbraw/zinc/17/81/08/1125178108.db2.gz PAMJQJNGNVFBFA-CYBMUJFWSA-N 0 1 289.398 3.970 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1CCC[C@H](C)[C@H]1C ZINC000530863878 1125184358 /nfs/dbraw/zinc/18/43/58/1125184358.db2.gz MGYCJDDWALZMGK-WCQYABFASA-N 0 1 294.826 3.707 20 0 CHADMN Fc1ccc([C@H]2CCN2C[C@@H]2CC3(CCC3)CO2)cc1 ZINC000878921253 1125186614 /nfs/dbraw/zinc/18/66/14/1125186614.db2.gz OGBMQFXOPRBZFQ-JKSUJKDBSA-N 0 1 275.367 3.532 20 0 CHADMN CCN(Cc1c(C)n[nH]c1C)[C@H](C)c1ccc(F)cc1 ZINC000122441366 1125190959 /nfs/dbraw/zinc/19/09/59/1125190959.db2.gz OCELHCSNLYOLNZ-CYBMUJFWSA-N 0 1 275.371 3.749 20 0 CHADMN CC12CC(C1)C[N@H+]2C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000879009031 1125191831 /nfs/dbraw/zinc/19/18/31/1125191831.db2.gz NBLXDJPRNJTEBX-IMXVTNBVSA-N 0 1 286.202 3.511 20 0 CHADMN CC12CC(C1)CN2C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000879009031 1125191833 /nfs/dbraw/zinc/19/18/33/1125191833.db2.gz NBLXDJPRNJTEBX-IMXVTNBVSA-N 0 1 286.202 3.511 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccccc1)c1ccc(F)cc1F ZINC000305107806 1125193410 /nfs/dbraw/zinc/19/34/10/1125193410.db2.gz DPXKJYFVDIBHAZ-IAGOWNOFSA-N 0 1 291.341 3.739 20 0 CHADMN CC[C@@](C)(NCc1cnc(Cl)cn1)c1ccc(F)cc1 ZINC000879128102 1125198944 /nfs/dbraw/zinc/19/89/44/1125198944.db2.gz IREBQCGBODDKRN-OAHLLOKOSA-N 0 1 293.773 3.684 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1[nH]nc3c1cccc3C)CC2 ZINC001137141751 1125202885 /nfs/dbraw/zinc/20/28/85/1125202885.db2.gz HPIYKTBOGWJXGI-UHFFFAOYSA-N 0 1 291.398 3.738 20 0 CHADMN C[C@H](NCc1nc2c(o1)CCCC2)[C@@]12C[C@@H]1CCCC2 ZINC000879266330 1125205654 /nfs/dbraw/zinc/20/56/54/1125205654.db2.gz NGWDCEKXUNNKSC-GDZNZVCISA-N 0 1 274.408 3.612 20 0 CHADMN Cc1ccc(CN(Cc2ccco2)C[C@H]2CCCO2)s1 ZINC000122817574 1125207389 /nfs/dbraw/zinc/20/73/89/1125207389.db2.gz VCPXWZNWPOSLAG-OAHLLOKOSA-N 0 1 291.416 3.831 20 0 CHADMN CC1(C)CN(Cc2ccc(Cl)cc2)CCS1 ZINC000531440939 1125219817 /nfs/dbraw/zinc/21/98/17/1125219817.db2.gz AMMNGABIYDEWGI-UHFFFAOYSA-N 0 1 255.814 3.667 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000123037229 1125220431 /nfs/dbraw/zinc/22/04/31/1125220431.db2.gz ARHCPPRLWXEJPZ-GHMZBOCLSA-N 0 1 291.782 3.763 20 0 CHADMN COc1ccc([C@H]2CCN(CCC(F)(F)F)C2)cc1F ZINC000626125728 1125220893 /nfs/dbraw/zinc/22/08/93/1125220893.db2.gz VQJOLWFBLADBOV-NSHDSACASA-N 0 1 291.288 3.576 20 0 CHADMN CCN(Cc1nnc(Cc2ccccc2C)o1)C1CCCC1 ZINC000123041604 1125221307 /nfs/dbraw/zinc/22/13/07/1125221307.db2.gz RYVARDWSBKOXNK-UHFFFAOYSA-N 0 1 299.418 3.733 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC(C(C)(C)O)CC1 ZINC000879626401 1125221650 /nfs/dbraw/zinc/22/16/50/1125221650.db2.gz WDIQPNDJAHSANI-LLVKDONJSA-N 0 1 283.362 3.509 20 0 CHADMN COc1ccc(C[N@H+]2CC[C@H]2Cc2ccccc2)cc1F ZINC000531472424 1125223669 /nfs/dbraw/zinc/22/36/69/1125223669.db2.gz AMQLYBQBMVQCKU-INIZCTEOSA-N 0 1 285.362 3.651 20 0 CHADMN CC(C)(C)CC[C@@H](CO)NCc1ncc(C(C)(C)C)s1 ZINC000475682013 1125226899 /nfs/dbraw/zinc/22/68/99/1125226899.db2.gz ZWXLMPIYQOUEKK-LBPRGKRZSA-N 0 1 298.496 3.717 20 0 CHADMN CCCc1nc(CNC2([C@H]3CCCCO3)CCC2)cs1 ZINC000879732276 1125228535 /nfs/dbraw/zinc/22/85/35/1125228535.db2.gz WTAKURURXZYCRD-CQSZACIVSA-N 0 1 294.464 3.677 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@H](C(C)(C)O)C1 ZINC000879961198 1125241555 /nfs/dbraw/zinc/24/15/55/1125241555.db2.gz AWOUTUTULVPTIW-OLZOCXBDSA-N 0 1 294.439 3.516 20 0 CHADMN FC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000880235345 1125257886 /nfs/dbraw/zinc/25/78/86/1125257886.db2.gz OHVQPANEHSSZOR-ZDUSSCGKSA-N 0 1 274.339 3.523 20 0 CHADMN Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880230183 1125258514 /nfs/dbraw/zinc/25/85/14/1125258514.db2.gz HWNNMKVCGIQVMQ-AWEZNQCLSA-N 0 1 288.366 3.832 20 0 CHADMN Cc1oc(-c2ccccc2)nc1CN1CCC[C@@H](CF)C1 ZINC000880230183 1125258518 /nfs/dbraw/zinc/25/85/18/1125258518.db2.gz HWNNMKVCGIQVMQ-AWEZNQCLSA-N 0 1 288.366 3.832 20 0 CHADMN Cc1ccc(-c2cc(CN3CCC(F)CC3)on2)cc1 ZINC000880243249 1125259466 /nfs/dbraw/zinc/25/94/66/1125259466.db2.gz GQOUNZJGGDTRHS-UHFFFAOYSA-N 0 1 274.339 3.584 20 0 CHADMN C[C@H](c1ncc(-c2ccccc2)o1)N1CC[C@H](CF)C1 ZINC000880293326 1125262678 /nfs/dbraw/zinc/26/26/78/1125262678.db2.gz HQQBUFVULJSZLM-CHWSQXEVSA-N 0 1 274.339 3.694 20 0 CHADMN Fc1c(Cl)cccc1CN1CC[C@H](c2nccs2)C1 ZINC000880319314 1125266298 /nfs/dbraw/zinc/26/62/98/1125266298.db2.gz FHNLTJQACPSUDW-NSHDSACASA-N 0 1 296.798 3.925 20 0 CHADMN Cc1nc(C)c(CN2CCc3ccsc3[C@@H]2C)s1 ZINC000880378039 1125269695 /nfs/dbraw/zinc/26/96/95/1125269695.db2.gz MKDBJJQDGWRQLW-JTQLQIEISA-N 0 1 278.446 3.941 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@@H](C)c2ccc(Cl)nc2)cn1 ZINC000760158292 1125278187 /nfs/dbraw/zinc/27/81/87/1125278187.db2.gz LZXTTXXXOSBSPF-RYUDHWBXSA-N 0 1 292.814 3.924 20 0 CHADMN c1nc2cc(-c3nc(CC4=CCCCC4)no3)ccc2[nH]1 ZINC000923820378 1125281364 /nfs/dbraw/zinc/28/13/64/1125281364.db2.gz HIORZKNEBDLSKV-UHFFFAOYSA-N 0 1 280.331 3.656 20 0 CHADMN COc1ccccc1CN(C)Cc1cc(C)cs1 ZINC001137157093 1125282928 /nfs/dbraw/zinc/28/29/28/1125282928.db2.gz KSPXPUZQOWMVCW-UHFFFAOYSA-N 0 1 261.390 3.697 20 0 CHADMN FC(F)(F)c1cccc([C@@H]2CN(CCC3CC3)CCO2)c1 ZINC000475740358 1125284890 /nfs/dbraw/zinc/28/48/90/1125284890.db2.gz RQHDAOHKNZPRAP-HNNXBMFYSA-N 0 1 299.336 3.879 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)N1CCC(=O)[C@H](C)CC1 ZINC001168171893 1125318441 /nfs/dbraw/zinc/31/84/41/1125318441.db2.gz YITKVNYUPIPFSQ-CHWSQXEVSA-N 0 1 279.811 3.572 20 0 CHADMN Cc1ncc(CN(C)C[C@H]2CCC3(CCCCC3)O2)s1 ZINC000190938626 1125321183 /nfs/dbraw/zinc/32/11/83/1125321183.db2.gz WZTXYOVHNZOQFD-CQSZACIVSA-N 0 1 294.464 3.765 20 0 CHADMN CSc1ccc(CN[C@H](C)c2ccc3c(c2)CCO3)o1 ZINC000897418493 1125321765 /nfs/dbraw/zinc/32/17/65/1125321765.db2.gz RPAJQXDLMHLGGG-LLVKDONJSA-N 0 1 289.400 3.787 20 0 CHADMN CCN(C)c1ccc(CN(CC)Cc2cccs2)cn1 ZINC000191187449 1125321902 /nfs/dbraw/zinc/32/19/02/1125321902.db2.gz GIVZLFJZYBJWBX-UHFFFAOYSA-N 0 1 289.448 3.621 20 0 CHADMN c1ccc2oc(CN3CCC(c4ccncc4)CC3)nc2c1 ZINC000191611667 1125326117 /nfs/dbraw/zinc/32/61/17/1125326117.db2.gz AGLREOBXCQZDCY-UHFFFAOYSA-N 0 1 293.370 3.602 20 0 CHADMN CC(C)C[C@]1(CO)CCC[N@H+]1Cc1csc(C(C)C)n1 ZINC000191662478 1125326401 /nfs/dbraw/zinc/32/64/01/1125326401.db2.gz QLIZAAZVXYATDE-INIZCTEOSA-N 0 1 296.480 3.640 20 0 CHADMN CC(C)C[C@]1(CO)CCCN1Cc1csc(C(C)C)n1 ZINC000191662478 1125326404 /nfs/dbraw/zinc/32/64/04/1125326404.db2.gz QLIZAAZVXYATDE-INIZCTEOSA-N 0 1 296.480 3.640 20 0 CHADMN CC(C)Cn1cc(CNCc2ccc(C3CC3)cc2)cn1 ZINC000191682160 1125326545 /nfs/dbraw/zinc/32/65/45/1125326545.db2.gz FWJHBHMSQFWLTO-UHFFFAOYSA-N 0 1 283.419 3.706 20 0 CHADMN Cc1nc2c(n1C[C@H]1CC[C@@H](c3ccccc3)O1)CCCC2 ZINC000882174707 1125338754 /nfs/dbraw/zinc/33/87/54/1125338754.db2.gz XFJVDERKECWCGZ-APWZRJJASA-N 0 1 296.414 3.991 20 0 CHADMN Fc1ccc(/C=C/CN2CC(Cc3ccco3)C2)cc1 ZINC000628432737 1125344324 /nfs/dbraw/zinc/34/43/24/1125344324.db2.gz QDBLFTKLWFMDFV-HNQUOIGGSA-N 0 1 271.335 3.606 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](F)C1 ZINC001168181435 1125349126 /nfs/dbraw/zinc/34/91/26/1125349126.db2.gz ZFEHCVQIDZZZPK-SMDDNHRTSA-N 0 1 255.764 3.705 20 0 CHADMN CCn1nc(C)c(CN2CCC[C@H]2CCC2CCCC2)n1 ZINC001168183844 1125353162 /nfs/dbraw/zinc/35/31/62/1125353162.db2.gz HPEGONKBWMBMPX-INIZCTEOSA-N 0 1 290.455 3.541 20 0 CHADMN CC(C)c1c[nH]c(CN[C@H](c2cccs2)C2CC2)n1 ZINC000882881683 1125359536 /nfs/dbraw/zinc/35/95/36/1125359536.db2.gz YUEKEMFMWWWSDH-HNNXBMFYSA-N 0 1 275.421 3.836 20 0 CHADMN COCc1c(C)cc(C)c(CNCc2ccco2)c1C ZINC000882878974 1125359618 /nfs/dbraw/zinc/35/96/18/1125359618.db2.gz BCBOUGOYVKIMPO-UHFFFAOYSA-N 0 1 273.376 3.641 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1c(F)ccc2F)c1ccc[nH]1 ZINC000760250143 1125359815 /nfs/dbraw/zinc/35/98/15/1125359815.db2.gz QOFRWPJKNNBDAO-LKFCYVNXSA-N 0 1 262.303 3.631 20 0 CHADMN CC[C@@H](NCc1nc(C(C)C)c[nH]1)c1ccccc1 ZINC000882942179 1125363271 /nfs/dbraw/zinc/36/32/71/1125363271.db2.gz RWIGVBZIPRGVCD-CQSZACIVSA-N 0 1 257.381 3.774 20 0 CHADMN Cc1nccc(N2CCC3(CCCCO3)CC2)c1Cl ZINC000882949935 1125363399 /nfs/dbraw/zinc/36/33/99/1125363399.db2.gz NRUZAAIMGWCXON-UHFFFAOYSA-N 0 1 280.799 3.583 20 0 CHADMN Cc1[nH]ncc1CNc1ccc2oc(C(C)C)nc2c1 ZINC000037136876 1125364196 /nfs/dbraw/zinc/36/41/96/1125364196.db2.gz FKBBNHURVZDKAH-UHFFFAOYSA-N 0 1 270.336 3.595 20 0 CHADMN Cc1csc([C@@H](C)NC/C=C\c2ccccc2)n1 ZINC000213678629 1125364628 /nfs/dbraw/zinc/36/46/28/1125364628.db2.gz VNUUBNDSJUZXGA-OYVUYXNMSA-N 0 1 258.390 3.816 20 0 CHADMN Fc1ccc2c(c1)nccc2NC1CCC2(COC2)CC1 ZINC000882995979 1125366749 /nfs/dbraw/zinc/36/67/49/1125366749.db2.gz VHKOLPIEDLCLTD-UHFFFAOYSA-N 0 1 286.350 3.745 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN(C)[C@@H](C)C1CC1 ZINC000037396272 1125367485 /nfs/dbraw/zinc/36/74/85/1125367485.db2.gz IFDPRTQKWQLPDH-LBPRGKRZSA-N 0 1 275.392 3.518 20 0 CHADMN CC(C)=CCN(C)Cc1cc(Br)cs1 ZINC000061042160 1125371385 /nfs/dbraw/zinc/37/13/85/1125371385.db2.gz BGUQGWLJBZUTJE-UHFFFAOYSA-N 0 1 274.227 3.909 20 0 CHADMN OC[C@@H](NCc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000038110961 1125371814 /nfs/dbraw/zinc/37/18/14/1125371814.db2.gz ZOBRWAVXYGKQMI-OAHLLOKOSA-N 0 1 295.304 3.529 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1cccc(Cl)c1N ZINC000883119265 1125372677 /nfs/dbraw/zinc/37/26/77/1125372677.db2.gz TUDZYEWBEGIYKB-UHFFFAOYSA-N 0 1 293.798 3.552 20 0 CHADMN CC(C)c1c[nH]c(CNC2(Cc3ccc(F)cc3)CC2)n1 ZINC000883135736 1125373867 /nfs/dbraw/zinc/37/38/67/1125373867.db2.gz LWKMSAWUZVMAET-UHFFFAOYSA-N 0 1 287.382 3.537 20 0 CHADMN C/C=C/C[C@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000626160199 1125375694 /nfs/dbraw/zinc/37/56/94/1125375694.db2.gz CTUSPVHCCYYCGM-FAAWYNLUSA-N 0 1 297.402 3.915 20 0 CHADMN CCSc1ccc(CNCc2cc(C)ns2)cc1 ZINC000883235032 1125381217 /nfs/dbraw/zinc/38/12/17/1125381217.db2.gz SHFRSGIMNHEILI-UHFFFAOYSA-N 0 1 278.446 3.853 20 0 CHADMN CC(C)c1ncc(CNc2ccc3c[nH]nc3c2)s1 ZINC000883231693 1125381271 /nfs/dbraw/zinc/38/12/71/1125381271.db2.gz PWIPZUQVUOIVCZ-UHFFFAOYSA-N 0 1 272.377 3.755 20 0 CHADMN CCCC1CCC(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)CC1 ZINC000666581270 1125381350 /nfs/dbraw/zinc/38/13/50/1125381350.db2.gz OECOFWOIXVMTDK-UYSNPLJNSA-N 0 1 281.440 3.780 20 0 CHADMN CCSc1ccc(CNCc2ccoc2C)cc1 ZINC000883235959 1125382154 /nfs/dbraw/zinc/38/21/54/1125382154.db2.gz OCUMUHBXTCVTDC-UHFFFAOYSA-N 0 1 261.390 3.990 20 0 CHADMN CC(C)c1nc(CN2C[C@H](C)C[C@@H]2c2ccccc2)n[nH]1 ZINC000428939547 1125382677 /nfs/dbraw/zinc/38/26/77/1125382677.db2.gz AGBUHFSZZMKVPN-UKRRQHHQSA-N 0 1 284.407 3.511 20 0 CHADMN CCSc1ccc(CN[C@H](C)c2cn(C)nc2C)cc1 ZINC000883244747 1125382705 /nfs/dbraw/zinc/38/27/05/1125382705.db2.gz VYHBZHNJEFBTRH-GFCCVEGCSA-N 0 1 289.448 3.691 20 0 CHADMN c1c[nH]c([C@@H](NCC2(CC3CC3)CC2)c2ccccc2)n1 ZINC000883253375 1125385348 /nfs/dbraw/zinc/38/53/48/1125385348.db2.gz QHXDPZKANODDGA-INIZCTEOSA-N 0 1 281.403 3.669 20 0 CHADMN COc1ccc(C2CC2)cc1CNCc1cccnc1C ZINC000883258148 1125386397 /nfs/dbraw/zinc/38/63/97/1125386397.db2.gz SEITYHHEVRWURT-UHFFFAOYSA-N 0 1 282.387 3.566 20 0 CHADMN COc1ccc(C2CC2)cc1CNCc1cnccc1C ZINC000883258235 1125386481 /nfs/dbraw/zinc/38/64/81/1125386481.db2.gz VEDCMGJAXJXCHF-UHFFFAOYSA-N 0 1 282.387 3.566 20 0 CHADMN CCn1cc([C@H](C)NCc2cc(C3CC3)ccc2OC)cn1 ZINC000883265095 1125388411 /nfs/dbraw/zinc/38/84/11/1125388411.db2.gz RUZVSRHIYVOBLZ-ZDUSSCGKSA-N 0 1 299.418 3.640 20 0 CHADMN C=C/C=C\CCN[C@@H](C)c1ncc(Br)s1 ZINC000883267664 1125389517 /nfs/dbraw/zinc/38/95/17/1125389517.db2.gz MUCPQSCVBYUUPM-WBSSQXGSSA-N 0 1 287.226 3.689 20 0 CHADMN Cc1csc([C@H](C)NC[C@H]2CCC3(CCCC3)O2)n1 ZINC000229292880 1125393218 /nfs/dbraw/zinc/39/32/18/1125393218.db2.gz JSZBKXIMSCMHGA-QWHCGFSZSA-N 0 1 280.437 3.594 20 0 CHADMN CCCC[C@H](CC)C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000043455928 1125393614 /nfs/dbraw/zinc/39/36/14/1125393614.db2.gz IVQRJIGCJWETGI-ZDUSSCGKSA-N 0 1 255.402 3.532 20 0 CHADMN CCC[C@H](NCC(C)(C)OC)c1ncccc1Cl ZINC000925270203 1125395340 /nfs/dbraw/zinc/39/53/40/1125395340.db2.gz MKRSEDSIPFTUIU-LBPRGKRZSA-N 0 1 270.804 3.591 20 0 CHADMN Fc1ccc([C@H](N[C@@H]2C[C@@H]3CCCC[C@H]23)c2ncc[nH]2)cc1 ZINC000883322714 1125396238 /nfs/dbraw/zinc/39/62/38/1125396238.db2.gz RUSMBVBXPZZQMH-LLLHUVSDSA-N 0 1 299.393 3.807 20 0 CHADMN CC(C)(O)[C@H]1CCN(Cc2cccc(Cl)c2Cl)C1 ZINC000721873645 1125406434 /nfs/dbraw/zinc/40/64/34/1125406434.db2.gz XHSGIIUWVCRERB-NSHDSACASA-N 0 1 288.218 3.586 20 0 CHADMN CC1(C)Nc2ccccc2[C@H]1NCc1ccccc1F ZINC000883462236 1125411524 /nfs/dbraw/zinc/41/15/24/1125411524.db2.gz MOELOFJJELFYIH-MRXNPFEDSA-N 0 1 270.351 3.861 20 0 CHADMN CC(C)(C)c1coc(CNCC(C)(C)C2CCOCC2)n1 ZINC000897443187 1125417180 /nfs/dbraw/zinc/41/71/80/1125417180.db2.gz TVXHZQIEXZZULQ-UHFFFAOYSA-N 0 1 294.439 3.515 20 0 CHADMN CC1CCC(n2cncc2CNCc2ccccc2)CC1 ZINC001168221626 1125417988 /nfs/dbraw/zinc/41/79/88/1125417988.db2.gz IEWWPVNPHWYBNP-UHFFFAOYSA-N 0 1 283.419 3.924 20 0 CHADMN Fc1cc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc1Cl ZINC000121285755 1125429177 /nfs/dbraw/zinc/42/91/77/1125429177.db2.gz XXLPNHNFDJWEMP-LBPRGKRZSA-N 0 1 293.773 3.582 20 0 CHADMN Fc1cc(CN2CCC[C@H](c3cc[nH]n3)C2)ccc1Cl ZINC000121285755 1125429179 /nfs/dbraw/zinc/42/91/79/1125429179.db2.gz XXLPNHNFDJWEMP-LBPRGKRZSA-N 0 1 293.773 3.582 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cccc3[nH]ccc31)CO2 ZINC000123516585 1125431492 /nfs/dbraw/zinc/43/14/92/1125431492.db2.gz OWHMMVKTIVBCAX-KRWDZBQOSA-N 0 1 278.355 3.700 20 0 CHADMN Oc1cccc(CN2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000124085551 1125434313 /nfs/dbraw/zinc/43/43/13/1125434313.db2.gz QTVJOOZIMMKLNM-KRWDZBQOSA-N 0 1 271.335 3.868 20 0 CHADMN CCOc1ccc(CN(CC)Cc2ccccn2)cc1 ZINC000104949035 1125434451 /nfs/dbraw/zinc/43/44/51/1125434451.db2.gz BFJHXDUAGUMOAK-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN c1sc(-c2ccccn2)nc1CN1CCCCCC1 ZINC000124151303 1125435337 /nfs/dbraw/zinc/43/53/37/1125435337.db2.gz CPDXZERHDFFYOD-UHFFFAOYSA-N 0 1 273.405 3.581 20 0 CHADMN CC(C)c1nnc(CNC[C@@H]2C[C@H]2c2ccccc2)s1 ZINC000348254928 1125443401 /nfs/dbraw/zinc/44/34/01/1125443401.db2.gz GHGROGSKIVEJIU-KBPBESRZSA-N 0 1 287.432 3.555 20 0 CHADMN CCOc1cncc(CN2CCC[C@H]2c2ccsc2)c1 ZINC000621711803 1129184716 /nfs/dbraw/zinc/18/47/16/1129184716.db2.gz HZGMACDWTHXZRY-INIZCTEOSA-N 0 1 288.416 3.879 20 0 CHADMN Cc1nccnc1C[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000621717851 1129185285 /nfs/dbraw/zinc/18/52/85/1129185285.db2.gz PXTUNHYWEHYBPH-SJKOYZFVSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1nccnc1CN1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000621717851 1129185288 /nfs/dbraw/zinc/18/52/88/1129185288.db2.gz PXTUNHYWEHYBPH-SJKOYZFVSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1cc(F)ccc1[C@H]1CCCN1Cc1nccnc1C ZINC000621730408 1129186488 /nfs/dbraw/zinc/18/64/88/1129186488.db2.gz KSZKIWKZWCCHFU-QGZVFWFLSA-N 0 1 285.366 3.570 20 0 CHADMN CCC(C)(C)c1ccc(C(=O)N(C)Cc2cn[nH]c2C)cc1 ZINC000636068373 1129198003 /nfs/dbraw/zinc/19/80/03/1129198003.db2.gz YRLZIJGKRIEMHJ-UHFFFAOYSA-N 0 1 299.418 3.678 20 0 CHADMN C[C@@]1(C2CCCCC2)CCN1C(=O)c1cccc2[nH]cnc21 ZINC000636385095 1129201689 /nfs/dbraw/zinc/20/16/89/1129201689.db2.gz AFUAKRQBVGWHKW-SFHVURJKSA-N 0 1 297.402 3.748 20 0 CHADMN CCCc1ccc([C@H](C)NCc2snnc2C)cc1 ZINC000293734311 1129212537 /nfs/dbraw/zinc/21/25/37/1129212537.db2.gz QHMJIULEHYSLSE-NSHDSACASA-N 0 1 275.421 3.650 20 0 CHADMN Cc1cc(C)c(NC(=O)c2ccc3cncn3c2)c(Cl)c1 ZINC000671167552 1129224320 /nfs/dbraw/zinc/22/43/20/1129224320.db2.gz MNSVNVPGBOZUAO-UHFFFAOYSA-N 0 1 299.761 3.857 20 0 CHADMN CCC1(C[NH2+]Cc2cccc([O-])c2Cl)CCC1 ZINC000336886508 1129224325 /nfs/dbraw/zinc/22/43/25/1129224325.db2.gz CCXZNMHGIVILEN-UHFFFAOYSA-N 0 1 253.773 3.716 20 0 CHADMN CC[C@H]1CC(=O)N(CN(C)[C@H](c2ccccc2)C(C)C)C1 ZINC000245885332 1129231030 /nfs/dbraw/zinc/23/10/30/1129231030.db2.gz WQKLFEXDPHCNCA-YJBOKZPZSA-N 0 1 288.435 3.532 20 0 CHADMN COC1CCC(=Nc2nc(C)ccc2Br)CC1 ZINC001212873267 1129231215 /nfs/dbraw/zinc/23/12/15/1129231215.db2.gz HBYFMXVKMCLUBG-LLVKDONJSA-N 0 1 297.196 3.647 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2ccc3c(c2)C=CCCC3)[nH]1 ZINC000622173232 1129233601 /nfs/dbraw/zinc/23/36/01/1129233601.db2.gz NOPDVLSZNJXMMS-UHFFFAOYSA-N 0 1 281.359 3.628 20 0 CHADMN CC[C@](C)(CN(C)Cc1nc2ccccc2s1)OC ZINC000637875967 1129233577 /nfs/dbraw/zinc/23/35/77/1129233577.db2.gz JFFSWOCDXBGIAI-OAHLLOKOSA-N 0 1 278.421 3.543 20 0 CHADMN CCCN(Cc1ccns1)Cc1ccc(OC)cc1 ZINC000637925860 1129236789 /nfs/dbraw/zinc/23/67/89/1129236789.db2.gz MTSSLBADTCRGTK-UHFFFAOYSA-N 0 1 276.405 3.564 20 0 CHADMN Cc1cccc([C@H]2CCCN2[C@H](C)c2cnc(C)nc2C)n1 ZINC000638087643 1129242886 /nfs/dbraw/zinc/24/28/86/1129242886.db2.gz CWXKVPJOHBDKFE-RDTXWAMCSA-N 0 1 296.418 3.695 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000336819504 1129244150 /nfs/dbraw/zinc/24/41/50/1129244150.db2.gz AIZFXQRQXSFNJQ-OLZOCXBDSA-N 0 1 289.366 3.531 20 0 CHADMN Cc1ncc([C@H](C)N2CCCC[C@H]2c2cccn2C)c(C)n1 ZINC000638151534 1129246170 /nfs/dbraw/zinc/24/61/70/1129246170.db2.gz FKDBFYUMCXENEM-KSSFIOAISA-N 0 1 298.434 3.720 20 0 CHADMN C[C@H]1CN(Cc2cccc(F)c2N)[C@@H]1c1ccccc1 ZINC000638156069 1129246396 /nfs/dbraw/zinc/24/63/96/1129246396.db2.gz RHNJMJAUMWLSKY-SJCJKPOMSA-N 0 1 270.351 3.601 20 0 CHADMN Cc1cnc(CNCCc2ccc(Cl)cc2Cl)o1 ZINC000638299022 1129252768 /nfs/dbraw/zinc/25/27/68/1129252768.db2.gz LHLDULLWRYUIDX-UHFFFAOYSA-N 0 1 285.174 3.622 20 0 CHADMN Cc1ccc(CNCc2nc3ccccc3nc2C)c(C)c1 ZINC000638382146 1129255906 /nfs/dbraw/zinc/25/59/06/1129255906.db2.gz SCTZXZBVAIJSKJ-UHFFFAOYSA-N 0 1 291.398 3.845 20 0 CHADMN Cc1cnc(CNCC2(c3ccc(F)cc3)CCCC2)o1 ZINC000638374268 1129256193 /nfs/dbraw/zinc/25/61/93/1129256193.db2.gz ZGXSWINGTBTGGT-UHFFFAOYSA-N 0 1 288.366 3.724 20 0 CHADMN Cc1cc(CNCc2oc3ccc(F)cc3c2C)sn1 ZINC000638417473 1129257406 /nfs/dbraw/zinc/25/74/06/1129257406.db2.gz HSNBIKRBDDTOCB-UHFFFAOYSA-N 0 1 290.363 3.935 20 0 CHADMN Nc1c(F)cccc1CNC1(c2ccc(F)cc2)CCC1 ZINC000638476696 1129260263 /nfs/dbraw/zinc/26/02/63/1129260263.db2.gz GKRDFKLPEDGGGR-UHFFFAOYSA-N 0 1 288.341 3.716 20 0 CHADMN COc1ncc(CNC(C)(C)c2ccc(Cl)cc2)s1 ZINC000638508023 1129260861 /nfs/dbraw/zinc/26/08/61/1129260861.db2.gz MEOPINPRTZEHJU-UHFFFAOYSA-N 0 1 296.823 3.830 20 0 CHADMN Cc1ccccc1[C@@H](N[C@@H](c1nccn1C)C1CC1)C1CC1 ZINC000638591940 1129263102 /nfs/dbraw/zinc/26/31/02/1129263102.db2.gz NPBNWLCFFMHDRB-ZWKOTPCHSA-N 0 1 295.430 3.921 20 0 CHADMN Cc1ccccc1[C@H](N[C@H](c1nccn1C)C1CC1)C1CC1 ZINC000638591937 1129263724 /nfs/dbraw/zinc/26/37/24/1129263724.db2.gz NPBNWLCFFMHDRB-MSOLQXFVSA-N 0 1 295.430 3.921 20 0 CHADMN CCOC(=O)c1c(Cl)cccc1CN1CCCC1(C)C ZINC001238045856 1129267029 /nfs/dbraw/zinc/26/70/29/1129267029.db2.gz FEQOZHBWPVXXOQ-UHFFFAOYSA-N 0 1 295.810 3.891 20 0 CHADMN C[C@H](C1CC1)N(Cc1ccn(-c2cccc(F)c2)n1)C1CC1 ZINC000622586170 1129267138 /nfs/dbraw/zinc/26/71/38/1129267138.db2.gz BIAGKFLUOMCBAK-CYBMUJFWSA-N 0 1 299.393 3.774 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccc(F)c2N)ccc1F ZINC000638735115 1129268092 /nfs/dbraw/zinc/26/80/92/1129268092.db2.gz ODTKATRNRDVIQG-LLVKDONJSA-N 0 1 276.330 3.706 20 0 CHADMN CO[C@@H](CNCc1nc(C2CC2)cs1)C1CCCCC1 ZINC000638770536 1129269765 /nfs/dbraw/zinc/26/97/65/1129269765.db2.gz ORXFGVOLEWGCRF-HNNXBMFYSA-N 0 1 294.464 3.705 20 0 CHADMN Fc1cccc(CCN(C/C=C\Cl)C2CC2)c1 ZINC000733841863 1129271040 /nfs/dbraw/zinc/27/10/40/1129271040.db2.gz KWVFGUDKEIUIIL-WAPJZHGLSA-N 0 1 253.748 3.585 20 0 CHADMN CC[C@@H](N[C@H](C)c1nc(C2CCCCC2)no1)C1CC1 ZINC000639096651 1129280974 /nfs/dbraw/zinc/28/09/74/1129280974.db2.gz HASJYNRMLOLFBU-BXUZGUMPSA-N 0 1 277.412 3.957 20 0 CHADMN Cc1cccc(-c2noc(CN3C[C@@H]4CCCC[C@@]43C)n2)c1 ZINC000626105855 1129281252 /nfs/dbraw/zinc/28/12/52/1129281252.db2.gz RZFUKNQWQBRPFK-YJBOKZPZSA-N 0 1 297.402 3.810 20 0 CHADMN CC1(C)CN(Cc2oc3ccccc3c2Cl)CC[C@@H]1O ZINC000639086508 1129281348 /nfs/dbraw/zinc/28/13/48/1129281348.db2.gz VPOBADKYNZQHTJ-AWEZNQCLSA-N 0 1 293.794 3.679 20 0 CHADMN CO[C@@H]1CC=C(Nc2csc(-c3ccncc3)n2)CC1 ZINC001212878744 1129284159 /nfs/dbraw/zinc/28/41/59/1129284159.db2.gz VFZVACUVAZHILT-CYBMUJFWSA-N 0 1 287.388 3.700 20 0 CHADMN Cc1cc(CNc2ccc(CN(C)C)c(Cl)c2)sn1 ZINC000639124123 1129285091 /nfs/dbraw/zinc/28/50/91/1129285091.db2.gz IMWRJHSTJBHYSW-UHFFFAOYSA-N 0 1 295.839 3.779 20 0 CHADMN Cc1ncc([C@@H](C)NCc2nccc3ccccc32)s1 ZINC000090405778 1129287282 /nfs/dbraw/zinc/28/72/82/1129287282.db2.gz VDVPQECCKHINHN-LLVKDONJSA-N 0 1 283.400 3.851 20 0 CHADMN CC[C@H](C)N(CC)Cc1ncc(Br)cc1F ZINC000639784787 1129334592 /nfs/dbraw/zinc/33/45/92/1129334592.db2.gz RHNROYSRJZBEGV-VIFPVBQESA-N 0 1 289.192 3.604 20 0 CHADMN Cc1ccnc(N[C@H](C)[C@H]2CC2(F)F)c1C1CC1 ZINC000639310823 1129301508 /nfs/dbraw/zinc/30/15/08/1129301508.db2.gz HTFYCBLXYSDNDM-MWLCHTKSSA-N 0 1 252.308 3.723 20 0 CHADMN CCc1ccc(C)[nH+]c1N[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000639306317 1129301857 /nfs/dbraw/zinc/30/18/57/1129301857.db2.gz BKCFCCKFUAGVKT-OAHLLOKOSA-N 0 1 299.422 3.804 20 0 CHADMN CCc1ccc(C)nc1N[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000639306317 1129301859 /nfs/dbraw/zinc/30/18/59/1129301859.db2.gz BKCFCCKFUAGVKT-OAHLLOKOSA-N 0 1 299.422 3.804 20 0 CHADMN COc1cccc(-c2nc(CN3CCC(C)(C)C3)co2)c1 ZINC000639504987 1129319570 /nfs/dbraw/zinc/31/95/70/1129319570.db2.gz OZCCPCZDMCGTRO-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN CCN(Cc1coc(-c2cccc(OC)c2)n1)C1CCC1 ZINC000639501586 1129319927 /nfs/dbraw/zinc/31/99/27/1129319927.db2.gz VCXKFUJJEDJOCN-UHFFFAOYSA-N 0 1 286.375 3.725 20 0 CHADMN CC[C@@H]1CC[N@@H+](Cc2coc(-c3cccc(OC)c3)n2)C1 ZINC000639515502 1129320636 /nfs/dbraw/zinc/32/06/36/1129320636.db2.gz YLEUSMLTCHQALD-CYBMUJFWSA-N 0 1 286.375 3.582 20 0 CHADMN Cc1ncc2c(n1)CCC[C@H]2N[C@@H](C)c1ccccc1F ZINC000734849551 1129324308 /nfs/dbraw/zinc/32/43/08/1129324308.db2.gz AYSDBEIQZLTWRW-MEDUHNTESA-N 0 1 285.366 3.652 20 0 CHADMN CC(C)c1n[nH]c(COC(=O)C[C@H]2CCCC(C)(C)C2)n1 ZINC000795485925 1129330688 /nfs/dbraw/zinc/33/06/88/1129330688.db2.gz ROZHRRKDBJHAQU-GFCCVEGCSA-N 0 1 293.411 3.578 20 0 CHADMN CC(C)c1nc(COC(=O)C[C@H]2CCCC(C)(C)C2)n[nH]1 ZINC000795485925 1129330693 /nfs/dbraw/zinc/33/06/93/1129330693.db2.gz ROZHRRKDBJHAQU-GFCCVEGCSA-N 0 1 293.411 3.578 20 0 CHADMN O=c1cc(CNC2(c3ccccc3Cl)CCC2)cc[nH]1 ZINC000639716540 1129331186 /nfs/dbraw/zinc/33/11/86/1129331186.db2.gz BTTIHEUNJBVLTN-UHFFFAOYSA-N 0 1 288.778 3.610 20 0 CHADMN CC[C@H](OCC[N@H+]1CCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000639777133 1129332723 /nfs/dbraw/zinc/33/27/23/1129332723.db2.gz SPKGLVUIMFOWIT-MSOLQXFVSA-N 0 1 299.418 3.715 20 0 CHADMN CN(Cc1ccnc(Cl)c1)Cc1cccc2cccnc21 ZINC001138820925 1129335444 /nfs/dbraw/zinc/33/54/44/1129335444.db2.gz ZZIOHLJWUYCRAS-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN CN(CC/C=C/c1ccccc1)Cc1ccns1 ZINC000639806812 1129335611 /nfs/dbraw/zinc/33/56/11/1129335611.db2.gz GTIHYCTYYPHNQT-WEVVVXLNSA-N 0 1 258.390 3.678 20 0 CHADMN Cc1cc(C)c(CN2CCC[C@H]2c2ncccn2)c(C)c1 ZINC000639842167 1129336137 /nfs/dbraw/zinc/33/61/37/1129336137.db2.gz BMXOZBUQJAVGLG-KRWDZBQOSA-N 0 1 281.403 3.739 20 0 CHADMN Cc1n[nH]cc1CN(C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000639969288 1129342518 /nfs/dbraw/zinc/34/25/18/1129342518.db2.gz YYOBURINXAUPQH-JTQLQIEISA-N 0 1 281.762 3.704 20 0 CHADMN Cc1ccc([O-])c(C[NH2+]C(C2CCCC2)C2CCCC2)n1 ZINC000735509143 1129348876 /nfs/dbraw/zinc/34/88/76/1129348876.db2.gz WBIRYWCNXSIWTL-UHFFFAOYSA-N 0 1 288.435 3.934 20 0 CHADMN Cc1nc(CN2CC[C@]2(C)C2CCCCC2)oc1C ZINC000640220490 1129351903 /nfs/dbraw/zinc/35/19/03/1129351903.db2.gz ULTZMXWRGZAGAG-MRXNPFEDSA-N 0 1 262.397 3.836 20 0 CHADMN CCCCCCN(C)Cc1nc(-c2cccc(F)c2)no1 ZINC000735791263 1129358142 /nfs/dbraw/zinc/35/81/42/1129358142.db2.gz LTXLQAWLUKMAGZ-UHFFFAOYSA-N 0 1 291.370 3.888 20 0 CHADMN Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cc2ccccc2o1 ZINC000178496497 1129359476 /nfs/dbraw/zinc/35/94/76/1129359476.db2.gz HOVPJESEKJYMOI-MRXNPFEDSA-N 0 1 295.386 3.676 20 0 CHADMN CN(Cc1cc2ccccc2o1)[C@@H]1CCCc2c1cnn2C ZINC000178496497 1129359480 /nfs/dbraw/zinc/35/94/80/1129359480.db2.gz HOVPJESEKJYMOI-MRXNPFEDSA-N 0 1 295.386 3.676 20 0 CHADMN C[C@H](Cn1cc([C@H](N)c2ccccc2)nn1)C1CCCCC1 ZINC000641121148 1129373823 /nfs/dbraw/zinc/37/38/23/1129373823.db2.gz FGTKSKJGQZHPDT-RDTXWAMCSA-N 0 1 298.434 3.543 20 0 CHADMN CC(C)OCCCN(C)Cc1cc(Cl)nc(Cl)c1 ZINC000740883623 1129422565 /nfs/dbraw/zinc/42/25/65/1129422565.db2.gz ORNHCZWISMOIBD-UHFFFAOYSA-N 0 1 291.222 3.635 20 0 CHADMN CN(C)Cc1cc(-c2ccc(N(C)C)cc2)ccc1F ZINC001240916097 1129382365 /nfs/dbraw/zinc/38/23/65/1129382365.db2.gz GHLNNNIPKWNEFL-UHFFFAOYSA-N 0 1 272.367 3.620 20 0 CHADMN COC(=O)c1cc2ccc(NCCC3=CCCCC3)nc2[nH]1 ZINC001168771079 1129385999 /nfs/dbraw/zinc/38/59/99/1129385999.db2.gz QYHBLGSUOQSPJK-UHFFFAOYSA-N 0 1 299.374 3.652 20 0 CHADMN C[C@@H](NCc1ccncc1N)c1cccc(C(F)(F)F)c1 ZINC000641701217 1129387329 /nfs/dbraw/zinc/38/73/29/1129387329.db2.gz POAHPERBCGSSQT-SNVBAGLBSA-N 0 1 295.308 3.533 20 0 CHADMN CCOc1cccc(CNCc2ccc(SC)o2)c1 ZINC000641707568 1129387415 /nfs/dbraw/zinc/38/74/15/1129387415.db2.gz IDYBNKXOCJGGJA-UHFFFAOYSA-N 0 1 277.389 3.690 20 0 CHADMN CCc1ccccc1CNCc1ccc(SC)o1 ZINC000641724982 1129389203 /nfs/dbraw/zinc/38/92/03/1129389203.db2.gz HWYNAEFHDQVUAH-UHFFFAOYSA-N 0 1 261.390 3.854 20 0 CHADMN Cc1ccccc1[C@H]1C[C@H](C)N(Cn2cc(Cl)cn2)C1 ZINC000738054966 1129390190 /nfs/dbraw/zinc/39/01/90/1129390190.db2.gz ROYYTVDVZNAOMH-KBPBESRZSA-N 0 1 289.810 3.680 20 0 CHADMN CSc1ccc(CNCc2cc(C)cc(C)c2)o1 ZINC000641770714 1129390322 /nfs/dbraw/zinc/39/03/22/1129390322.db2.gz AVCPPOPJEHULPH-UHFFFAOYSA-N 0 1 261.390 3.908 20 0 CHADMN Cc1ccc(CNCc2cccn2CCC(C)C)nc1 ZINC000641766473 1129390988 /nfs/dbraw/zinc/39/09/88/1129390988.db2.gz PGFWAMYMNOPOFY-UHFFFAOYSA-N 0 1 271.408 3.527 20 0 CHADMN Cc1cccn2cc(CN3CCC4(CCCC4)CC3)nc12 ZINC000738344012 1129394013 /nfs/dbraw/zinc/39/40/13/1129394013.db2.gz VSCCFEVFLCPDGB-UHFFFAOYSA-N 0 1 283.419 3.799 20 0 CHADMN CCCc1cc(C(=O)N(C)[C@@H](C)c2ccc(C)cc2C)n[nH]1 ZINC000642046822 1129402295 /nfs/dbraw/zinc/40/22/95/1129402295.db2.gz KRKYRJGNCBLLGC-AWEZNQCLSA-N 0 1 299.418 3.812 20 0 CHADMN COc1c(C)cc(-c2nccc3c2ccn3C)cc1C ZINC001241016060 1129406582 /nfs/dbraw/zinc/40/65/82/1129406582.db2.gz UCTCAEAPVBQIIW-UHFFFAOYSA-N 0 1 266.344 3.866 20 0 CHADMN CCC[C@H](C)N(C)Cc1coc(-c2ccccc2)n1 ZINC000642342925 1129414988 /nfs/dbraw/zinc/41/49/88/1129414988.db2.gz QHEDGAPYGXURCF-ZDUSSCGKSA-N 0 1 258.365 3.962 20 0 CHADMN C[C@H](Cc1cccs1)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000642516141 1129418986 /nfs/dbraw/zinc/41/89/86/1129418986.db2.gz ONRUDCQRESFVQO-MNOVXSKESA-N 0 1 293.436 3.710 20 0 CHADMN Cc1ccc([C@@H](C)N(C)CC(=O)Nc2cccc(C)c2)cc1 ZINC000642642156 1129423201 /nfs/dbraw/zinc/42/32/01/1129423201.db2.gz ALAZGSJVOQVABU-MRXNPFEDSA-N 0 1 296.414 3.935 20 0 CHADMN CC[C@@H](NCc1noc(-c2cccs2)n1)[C@@H]1CC1(C)C ZINC000642718181 1129424937 /nfs/dbraw/zinc/42/49/37/1129424937.db2.gz OSPRXWGXFBPCFZ-WDEREUQCSA-N 0 1 291.420 3.712 20 0 CHADMN C[C@H](C(=O)O[C@@H](C)c1ccccc1F)N1[C@H](C)CC[C@@H]1C ZINC000741016107 1129426446 /nfs/dbraw/zinc/42/64/46/1129426446.db2.gz FXBGOOIXWPUDMM-RQJABVFESA-N 0 1 293.382 3.691 20 0 CHADMN Cc1ccc([C@@H](O)CNCc2ccc(-c3ccccc3)o2)o1 ZINC000741260146 1129432439 /nfs/dbraw/zinc/43/24/39/1129432439.db2.gz FGTJNFOSQBFIJV-INIZCTEOSA-N 0 1 297.354 3.671 20 0 CHADMN CCc1nn(C)cc1CN(Cc1ccc(C)s1)C(C)C ZINC000179851656 1129434284 /nfs/dbraw/zinc/43/42/84/1129434284.db2.gz YEMISWLUFXQDAZ-UHFFFAOYSA-N 0 1 291.464 3.763 20 0 CHADMN c1nn(-c2ccncc2)cc1NC1CC2(C1)CCCCC2 ZINC000643291568 1129436013 /nfs/dbraw/zinc/43/60/13/1129436013.db2.gz PYPILMUGXMJTHT-UHFFFAOYSA-N 0 1 282.391 3.792 20 0 CHADMN COc1ccc(C)cc1CN[C@@H]1CCCc2ccc(O)cc21 ZINC000643311434 1129437877 /nfs/dbraw/zinc/43/78/77/1129437877.db2.gz ZAYFMOZQBFMLHH-GOSISDBHSA-N 0 1 297.398 3.876 20 0 CHADMN Cc1cc(CN2CC(C3CC3)C2)ccc1Br ZINC000643345728 1129439627 /nfs/dbraw/zinc/43/96/27/1129439627.db2.gz JCBPAMOMNMHYJX-UHFFFAOYSA-N 0 1 280.209 3.599 20 0 CHADMN COc1ccc2nc(NC(=N)C(C)(C)C)ccc2c1 ZINC001155181012 1129444816 /nfs/dbraw/zinc/44/48/16/1129444816.db2.gz CLGJEVJNSKNKPZ-UHFFFAOYSA-N 0 1 257.337 3.679 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1ccc(C(F)(F)F)cc1 ZINC000180025785 1129446221 /nfs/dbraw/zinc/44/62/21/1129446221.db2.gz OVFVXUPGTGHYGA-VIFPVBQESA-N 0 1 283.297 3.588 20 0 CHADMN COc1ccc2ccccc2c1CN[C@@H](C)c1c[nH]nc1C ZINC000180034159 1129447196 /nfs/dbraw/zinc/44/71/96/1129447196.db2.gz CUDIFYPSTIAOFL-LBPRGKRZSA-N 0 1 295.386 3.731 20 0 CHADMN COc1ccc(Cl)cc1CNc1nccn1CC(C)C ZINC000795805348 1129449862 /nfs/dbraw/zinc/44/98/62/1129449862.db2.gz IDYZEFYGDHOHCV-UHFFFAOYSA-N 0 1 293.798 3.813 20 0 CHADMN CCCOC(=O)[C@H](C)Sc1nc2ccc(Cl)cc2[nH]1 ZINC000741736460 1129450033 /nfs/dbraw/zinc/45/00/33/1129450033.db2.gz RMTUGNCIFACQHW-QMMMGPOBSA-N 0 1 298.795 3.650 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000180127763 1129451023 /nfs/dbraw/zinc/45/10/23/1129451023.db2.gz QVAIMJJBDAGPLY-NXEZZACHSA-N 0 1 295.333 3.731 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@@H]1CCSc2ccccc21 ZINC000180116282 1129451392 /nfs/dbraw/zinc/45/13/92/1129451392.db2.gz WPMURFLCYWDXAI-IINYFYTJSA-N 0 1 273.405 3.606 20 0 CHADMN CCCCOC(=O)[C@H](C)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000741789205 1129453188 /nfs/dbraw/zinc/45/31/88/1129453188.db2.gz XVPCPOPLOVMIGY-YQQAZPJKSA-N 0 1 289.419 3.596 20 0 CHADMN CCOc1cccc(-c2ccc3nc[nH]c3c2C)c1 ZINC001241116360 1129454654 /nfs/dbraw/zinc/45/46/54/1129454654.db2.gz JFBXDPKQQLXYJN-UHFFFAOYSA-N 0 1 252.317 3.937 20 0 CHADMN Fc1cnc(Cl)c(CN2CCC[C@H]3CCC[C@H]32)c1 ZINC001138893516 1129455789 /nfs/dbraw/zinc/45/57/89/1129455789.db2.gz GSMYSPFNBBEPOF-ZWNOBZJWSA-N 0 1 268.763 3.639 20 0 CHADMN Oc1cc(F)c(-c2ncc(C(F)(F)F)cc2F)c(F)c1 ZINC001241119124 1129457464 /nfs/dbraw/zinc/45/74/64/1129457464.db2.gz YDFMEPJOXIGRTE-UHFFFAOYSA-N 0 1 293.166 3.890 20 0 CHADMN CCCc1nc(C)c(CNCc2cccc3cnccc32)o1 ZINC000644445340 1129466550 /nfs/dbraw/zinc/46/65/50/1129466550.db2.gz SVAXGJAGSSQUPV-UHFFFAOYSA-N 0 1 295.386 3.774 20 0 CHADMN FCCN1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000796131142 1129467472 /nfs/dbraw/zinc/46/74/72/1129467472.db2.gz ADLDFRHNCWASKO-CQSZACIVSA-N 0 1 257.299 3.518 20 0 CHADMN Cc1cc(F)cc(N[C@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000644542332 1129469450 /nfs/dbraw/zinc/46/94/50/1129469450.db2.gz IGHKHTZLPKVGSC-HNNXBMFYSA-N 0 1 288.370 3.986 20 0 CHADMN CCc1nc(C)c(CN2CCCc3sccc3C2)o1 ZINC000644668302 1129473376 /nfs/dbraw/zinc/47/33/76/1129473376.db2.gz RIBWLSODDOWJMR-UHFFFAOYSA-N 0 1 276.405 3.555 20 0 CHADMN Cc1ccc(-c2nnc(CN3CCC(C4CC4)CC3)o2)cc1 ZINC000644719271 1129476780 /nfs/dbraw/zinc/47/67/80/1129476780.db2.gz SDZPTWMYQCCSCC-UHFFFAOYSA-N 0 1 297.402 3.667 20 0 CHADMN CCCCCOc1cc(CN[C@@H](C)CF)ccc1OC ZINC000644891946 1129479403 /nfs/dbraw/zinc/47/94/03/1129479403.db2.gz JJMXCSRUTYMKHH-ZDUSSCGKSA-N 0 1 283.387 3.712 20 0 CHADMN FC(F)CC1CN(Cc2c(Cl)ccc3cccnc32)C1 ZINC000644906840 1129480233 /nfs/dbraw/zinc/48/02/33/1129480233.db2.gz ONKHSBRMBUEPLW-UHFFFAOYSA-N 0 1 296.748 3.975 20 0 CHADMN C/C(=C\C(=O)Nc1ccc2nc(C)[nH]c2c1)C(C)(C)C ZINC000742502801 1129482379 /nfs/dbraw/zinc/48/23/79/1129482379.db2.gz FIRCIOZNSMKYJA-CSKARUKUSA-N 0 1 271.364 3.802 20 0 CHADMN Cc1cc(Cl)cc(CNc2cnn(-c3ccncc3)c2)c1 ZINC000645151908 1129489004 /nfs/dbraw/zinc/48/90/04/1129489004.db2.gz HDLPJYISTZUHQH-UHFFFAOYSA-N 0 1 298.777 3.841 20 0 CHADMN CCOCC(C)(C)NCc1csc(-c2ccccc2)n1 ZINC000645175033 1129490124 /nfs/dbraw/zinc/49/01/24/1129490124.db2.gz MBWVIXGDXOZDFU-UHFFFAOYSA-N 0 1 290.432 3.715 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000379480585 1129492775 /nfs/dbraw/zinc/49/27/75/1129492775.db2.gz BVCNZVGXNVBZBX-PBHICJAKSA-N 0 1 275.392 3.633 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1ccc(C(C)(F)F)cc1 ZINC000645479217 1129499206 /nfs/dbraw/zinc/49/92/06/1129499206.db2.gz ZUZZQMOKLOOTRA-JTQLQIEISA-N 0 1 279.334 3.681 20 0 CHADMN CC(C)(CN1CCO[C@H](c2ccco2)C1)c1ccccc1 ZINC000180628531 1129500057 /nfs/dbraw/zinc/50/00/57/1129500057.db2.gz MJSFIAOPWJZQRN-KRWDZBQOSA-N 0 1 285.387 3.631 20 0 CHADMN CN(CC1=CCCC1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000645807015 1129507295 /nfs/dbraw/zinc/50/72/95/1129507295.db2.gz QXAPXXSFTJRPOL-GOSISDBHSA-N 0 1 299.393 3.691 20 0 CHADMN Clc1ccc([C@H]2CCN2CCC[C@@H]2CCOC2)cc1 ZINC000645811965 1129508212 /nfs/dbraw/zinc/50/82/12/1129508212.db2.gz AQZJEVHWVWFTBX-CZUORRHYSA-N 0 1 279.811 3.904 20 0 CHADMN COc1ccccc1C1(NCc2cccc(C)c2)CC1 ZINC000645998272 1129515951 /nfs/dbraw/zinc/51/59/51/1129515951.db2.gz DLCLNEBDSJOVOQ-UHFFFAOYSA-N 0 1 267.372 3.783 20 0 CHADMN COc1ccccc1C1(NCc2cccc(F)c2)CC1 ZINC000645998431 1129516055 /nfs/dbraw/zinc/51/60/55/1129516055.db2.gz VZFNCCVGFWESRL-UHFFFAOYSA-N 0 1 271.335 3.613 20 0 CHADMN Cc1nc(C)c(CNC2(c3cccc(C)c3)CCC2)o1 ZINC000646022514 1129518379 /nfs/dbraw/zinc/51/83/79/1129518379.db2.gz LKYCOAGFDYQUGC-UHFFFAOYSA-N 0 1 270.376 3.769 20 0 CHADMN CC1(C)CCC[C@@H]1[C@H]1CCN(Cc2cscn2)C1 ZINC000646049429 1129519307 /nfs/dbraw/zinc/51/93/07/1129519307.db2.gz HJCRZNDKINDEHN-GXTWGEPZSA-N 0 1 264.438 3.791 20 0 CHADMN CC(C)n1cc(CN2CC[C@H]([C@H]3CCCC3(C)C)C2)nn1 ZINC000646052345 1129519871 /nfs/dbraw/zinc/51/98/71/1129519871.db2.gz NKECAEAERCAFQH-GOEBONIOSA-N 0 1 290.455 3.507 20 0 CHADMN CC(C)n1ncnc1CN1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000646052492 1129519902 /nfs/dbraw/zinc/51/99/02/1129519902.db2.gz VKSVUBSKTWMAGR-HUUCEWRRSA-N 0 1 290.455 3.507 20 0 CHADMN Cc1cc(CN[C@@H](CCO)c2ccccc2F)c(C)s1 ZINC000646068437 1129520301 /nfs/dbraw/zinc/52/03/01/1129520301.db2.gz SCRLKJFKRBIDRO-INIZCTEOSA-N 0 1 293.407 3.717 20 0 CHADMN c1csc(-c2ccn(CN3CCC4(CCCC4)C3)n2)c1 ZINC000743389454 1129521954 /nfs/dbraw/zinc/52/19/54/1129521954.db2.gz CIKUCLQXGOEPPG-UHFFFAOYSA-N 0 1 287.432 3.835 20 0 CHADMN CCC[C@@H]1CC(=O)N(CN(CCC)Cc2ccccc2)C1 ZINC000743347926 1129522087 /nfs/dbraw/zinc/52/20/87/1129522087.db2.gz URJDDOOFPAGXBA-QGZVFWFLSA-N 0 1 288.435 3.505 20 0 CHADMN Cc1ccc([C@@H](C)C(=O)Nc2cccc(Cl)c2O)o1 ZINC000743396632 1129522194 /nfs/dbraw/zinc/52/21/94/1129522194.db2.gz SUAAAWRORVWULT-SECBINFHSA-N 0 1 279.723 3.689 20 0 CHADMN Cc1cc(C)c(-c2cc(N3CCOCC3)ccn2)c(C)c1 ZINC001239548437 1131379631 /nfs/dbraw/zinc/37/96/31/1131379631.db2.gz WXHONBZFILZAOR-UHFFFAOYSA-N 0 1 282.387 3.510 20 0 CHADMN Oc1cccc(CN2CC3(CCC3)[C@H]2C2CC2)c1Cl ZINC000646205542 1129528930 /nfs/dbraw/zinc/52/89/30/1129528930.db2.gz SIEOPCMMOMKNRH-OAHLLOKOSA-N 0 1 277.795 3.810 20 0 CHADMN CC[C@H](C)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000181163762 1129540281 /nfs/dbraw/zinc/54/02/81/1129540281.db2.gz KNUCRNYEAOKBEJ-FZMZJTMJSA-N 0 1 287.325 3.877 20 0 CHADMN Cc1cccc(-c2nnc([C@H](C)N3CCC(C)(C)C3)o2)c1 ZINC000743862683 1129541374 /nfs/dbraw/zinc/54/13/74/1129541374.db2.gz GIUZETHFQLGHHX-ZDUSSCGKSA-N 0 1 285.391 3.838 20 0 CHADMN COc1cc(N[C@@H](C)c2cn[nH]c2C)c(OC)cc1Cl ZINC000181222612 1129544105 /nfs/dbraw/zinc/54/41/05/1129544105.db2.gz XBKOMSAECQLMHH-QMMMGPOBSA-N 0 1 295.770 3.562 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1ccccc1N1CCCCC1 ZINC000181267470 1129544880 /nfs/dbraw/zinc/54/48/80/1129544880.db2.gz VUPGIJHQDJAJPS-AWEZNQCLSA-N 0 1 298.434 3.559 20 0 CHADMN CCCn1c(-c2nc([C@H]3CCCN3)no2)cc2ccccc21 ZINC000647145631 1129551626 /nfs/dbraw/zinc/55/16/26/1129551626.db2.gz ADXSZDNVAPEFNV-CYBMUJFWSA-N 0 1 296.374 3.526 20 0 CHADMN CC(C)C[C@H](N)c1noc(C[C@@H](C)CC(C)(C)C)n1 ZINC000647133290 1129551876 /nfs/dbraw/zinc/55/18/76/1129551876.db2.gz YEUOLCKKUOQQJN-NEPJUHHUSA-N 0 1 267.417 3.730 20 0 CHADMN C[C@H](CCCc1ccccc1)c1nc([C@@H]2CCCN2)no1 ZINC000647147417 1129551893 /nfs/dbraw/zinc/55/18/93/1129551893.db2.gz QXTPCAYZTPGRIA-HIFRSBDPSA-N 0 1 285.391 3.621 20 0 CHADMN CC[C@@H](Cc1ccccc1C)c1nc([C@H]2CCCN2)no1 ZINC000647144394 1129552389 /nfs/dbraw/zinc/55/23/89/1129552389.db2.gz WJMFVJKFADYFIP-DZGCQCFKSA-N 0 1 285.391 3.539 20 0 CHADMN Cc1ccc2c(-c3nc([C@H]4CCCN4)no3)csc2c1 ZINC000647146164 1129552395 /nfs/dbraw/zinc/55/23/95/1129552395.db2.gz OGFGUDYIFCEHJK-GFCCVEGCSA-N 0 1 285.372 3.684 20 0 CHADMN CSc1ccc(Cl)c(-c2nc([C@H]3CCCN3)no2)c1 ZINC000647155964 1129552724 /nfs/dbraw/zinc/55/27/24/1129552724.db2.gz MVDPCSLIVJXFJZ-LLVKDONJSA-N 0 1 295.795 3.536 20 0 CHADMN COCc1ccc(CNC2(c3ccc(C)cc3)CCC2)o1 ZINC000647255155 1129561105 /nfs/dbraw/zinc/56/11/05/1129561105.db2.gz JCLGGOHYWOVKLU-UHFFFAOYSA-N 0 1 285.387 3.903 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647299774 1129566287 /nfs/dbraw/zinc/56/62/87/1129566287.db2.gz DXLGSASDIAGFQD-MNOVXSKESA-N 0 1 289.345 3.601 20 0 CHADMN CCc1nc(C)c(CN[C@H](CC(C)C)c2ccncc2)o1 ZINC000647305055 1129566329 /nfs/dbraw/zinc/56/63/29/1129566329.db2.gz NBGGSJKRATYJGB-OAHLLOKOSA-N 0 1 287.407 3.817 20 0 CHADMN CCn1cc([C@H](C)NC2(c3ccccc3C)CC2)cn1 ZINC000647316288 1129567709 /nfs/dbraw/zinc/56/77/09/1129567709.db2.gz ZHPGUTRKIVZEHH-AWEZNQCLSA-N 0 1 269.392 3.551 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1CN1c2cccc3cccc(c23)C1=O ZINC000744444111 1129578329 /nfs/dbraw/zinc/57/83/29/1129578329.db2.gz QXYCEZSLGXSSQC-HIFRSBDPSA-N 0 1 294.398 3.878 20 0 CHADMN Cc1ccc(CN(Cc2ccc(C)nc2)CC2CC2)cn1 ZINC000648057830 1129593619 /nfs/dbraw/zinc/59/36/19/1129593619.db2.gz SKYHLXPPLWRQPJ-UHFFFAOYSA-N 0 1 281.403 3.506 20 0 CHADMN CC[C@H](C(=O)O[C@@H](C)c1cc(F)ccc1F)N(CC)CC ZINC000745091182 1129593982 /nfs/dbraw/zinc/59/39/82/1129593982.db2.gz LFNSZLBLRAATCR-XHDPSFHLSA-N 0 1 299.361 3.689 20 0 CHADMN CCOc1cccc(CN2CC(C)(CC(F)F)C2)c1 ZINC000648058350 1129594864 /nfs/dbraw/zinc/59/48/64/1129594864.db2.gz FUBLVNRWMBPRFC-UHFFFAOYSA-N 0 1 269.335 3.562 20 0 CHADMN CC(C)Oc1cccc(CN2CC(C)(CC(F)F)C2)c1 ZINC000648058259 1129595415 /nfs/dbraw/zinc/59/54/15/1129595415.db2.gz ACYKOZQHPMFKIT-UHFFFAOYSA-N 0 1 283.362 3.951 20 0 CHADMN C[C@@H]1CN(Cc2cc3ccccc3[nH]2)CC2(CCCC2)O1 ZINC000648076976 1129596679 /nfs/dbraw/zinc/59/66/79/1129596679.db2.gz SVJIPYJJJVUSLX-CQSZACIVSA-N 0 1 284.403 3.701 20 0 CHADMN Cc1cc(CN2C[C@H]3CC[C@@H]2C3)ccc1Br ZINC001137616704 1131385615 /nfs/dbraw/zinc/38/56/15/1131385615.db2.gz YJMALYOIEWWFAF-QWHCGFSZSA-N 0 1 280.209 3.742 20 0 CHADMN CN(Cc1sccc1Cl)C[C@@](C)(O)c1ccccc1 ZINC000822515711 1131385804 /nfs/dbraw/zinc/38/58/04/1131385804.db2.gz FGXSVTDBPRPCCX-OAHLLOKOSA-N 0 1 295.835 3.741 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccc(C)c(F)c2)nc1 ZINC000648636133 1129617604 /nfs/dbraw/zinc/61/76/04/1129617604.db2.gz PMRGTXGOUAHCHF-CYBMUJFWSA-N 0 1 288.366 3.779 20 0 CHADMN Cc1ncc(CN(C)Cc2cccc3cnccc32)s1 ZINC000183136019 1129618929 /nfs/dbraw/zinc/61/89/29/1129618929.db2.gz NTAMBBVOSTWOHD-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN CO[C@@H](CN[C@H](C)c1ccc(SC)cc1)C(F)(F)F ZINC000746046605 1129623647 /nfs/dbraw/zinc/62/36/47/1129623647.db2.gz BQIREBXSALEYMX-SKDRFNHKSA-N 0 1 293.354 3.636 20 0 CHADMN CCCN(C)Cn1c(=S)oc2ccc(Cl)cc21 ZINC000746074726 1129624097 /nfs/dbraw/zinc/62/40/97/1129624097.db2.gz KXTYCPMSNFIPCZ-UHFFFAOYSA-N 0 1 270.785 3.916 20 0 CHADMN c1csc(-c2nc(CN[C@@H]3CCCC34CCC4)no2)c1 ZINC000648767060 1129625307 /nfs/dbraw/zinc/62/53/07/1129625307.db2.gz HYLMAAIRWRDLHP-GFCCVEGCSA-N 0 1 289.404 3.611 20 0 CHADMN c1coc([C@@H]2N(Cc3[nH]nc4ccccc43)CC23CCC3)c1 ZINC000648801637 1129625899 /nfs/dbraw/zinc/62/58/99/1129625899.db2.gz IKCNGBJISYSBNJ-KRWDZBQOSA-N 0 1 293.370 3.883 20 0 CHADMN Cc1ccc(Br)cc1CN1CC=C(C)CC1 ZINC001168918032 1129683594 /nfs/dbraw/zinc/68/35/94/1129683594.db2.gz FLNOHCPGFTUWLZ-UHFFFAOYSA-N 0 1 280.209 3.910 20 0 CHADMN CC(C)[C@@H]1N(Cc2nccs2)CC12CCCC2 ZINC000648873566 1129628553 /nfs/dbraw/zinc/62/85/53/1129628553.db2.gz HJUMEBBAIJJRCB-ZDUSSCGKSA-N 0 1 250.411 3.544 20 0 CHADMN Cc1ccc(NC(=O)C(C)(C)c2cnc[nH]2)c(Cl)c1C ZINC000648967305 1129630343 /nfs/dbraw/zinc/63/03/43/1129630343.db2.gz VKRKKLYJIWIJKN-UHFFFAOYSA-N 0 1 291.782 3.596 20 0 CHADMN CSc1c(F)cc(-c2ccc3[nH]nnc3c2)cc1F ZINC001241943674 1129638638 /nfs/dbraw/zinc/63/86/38/1129638638.db2.gz ZMTYOZICVLQALN-UHFFFAOYSA-N 0 1 277.299 3.625 20 0 CHADMN CSc1c(F)cc(-c2ccc3nn[nH]c3c2)cc1F ZINC001241943674 1129638640 /nfs/dbraw/zinc/63/86/40/1129638640.db2.gz ZMTYOZICVLQALN-UHFFFAOYSA-N 0 1 277.299 3.625 20 0 CHADMN CC[C@@H]1CCCN(Cc2noc3c2CC(C)(C)CC3)C1 ZINC001459622379 1129640603 /nfs/dbraw/zinc/64/06/03/1129640603.db2.gz MMVQZKLUSFFGPJ-CYBMUJFWSA-N 0 1 276.424 3.812 20 0 CHADMN CCc1cc(CCCN2CC[C@H]2c2cccc(F)c2)on1 ZINC000649338746 1129641100 /nfs/dbraw/zinc/64/11/00/1129641100.db2.gz MUKJRJPVERGVIS-KRWDZBQOSA-N 0 1 288.366 3.756 20 0 CHADMN Cc1cccc(CNC2(c3ccc(F)cc3)CCC2)n1 ZINC000649375328 1129642422 /nfs/dbraw/zinc/64/24/22/1129642422.db2.gz FUEFSLRRFSGHAU-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN Fc1cccc2c1CCN(Cc1cccc3ncccc13)C2 ZINC001137630602 1131388505 /nfs/dbraw/zinc/38/85/05/1131388505.db2.gz GKQZZJBLLGARTH-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN CCOc1ccc(-c2cc3nc[nH]c3cc2OC)cc1 ZINC001239564094 1131388496 /nfs/dbraw/zinc/38/84/96/1131388496.db2.gz CCXYAACMJZYSKE-UHFFFAOYSA-N 0 1 268.316 3.637 20 0 CHADMN Cc1nnsc1CN1CCc2ccccc2[C@@H]1C(C)C ZINC000649552042 1129657848 /nfs/dbraw/zinc/65/78/48/1129657848.db2.gz VHBXJNKUOFTGQI-INIZCTEOSA-N 0 1 287.432 3.602 20 0 CHADMN C[C@H](NCc1cc2n(n1)CCC2)c1cccc2ccccc21 ZINC000649573530 1129658988 /nfs/dbraw/zinc/65/89/88/1129658988.db2.gz GWTRNJFGUBAVNB-AWEZNQCLSA-N 0 1 291.398 3.833 20 0 CHADMN c1csc([C@@H](NCc2cc3n(n2)CCCC3)C2CC2)c1 ZINC000649573518 1129659125 /nfs/dbraw/zinc/65/91/25/1129659125.db2.gz GPDUXHDTIKRKNS-INIZCTEOSA-N 0 1 287.432 3.522 20 0 CHADMN c1ccc(CCCCNc2cc(OCC3CC3)ccn2)nc1 ZINC001168793530 1129666364 /nfs/dbraw/zinc/66/63/64/1129666364.db2.gz UQRAZJZTSUHUCX-UHFFFAOYSA-N 0 1 297.402 3.700 20 0 CHADMN CC(C)O[C@@H]1CCCN([C@@H](C)c2nc3ccccc3o2)C1 ZINC000649702726 1129671592 /nfs/dbraw/zinc/67/15/92/1129671592.db2.gz LRXYGCSQSHMMFM-UONOGXRCSA-N 0 1 288.391 3.778 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(C(F)F)cc2)[C@H](C)CO1 ZINC000649736221 1129674091 /nfs/dbraw/zinc/67/40/91/1129674091.db2.gz YARFLUBFXJYCOX-BXUZGUMPSA-N 0 1 269.335 3.624 20 0 CHADMN C[C@H](c1cccnc1)[N@@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000828525151 1131389844 /nfs/dbraw/zinc/38/98/44/1131389844.db2.gz YKWUSIMJXZZDSV-PWSUYJOCSA-N 0 1 273.207 3.658 20 0 CHADMN C[C@H](c1cccnc1)N(C)C[C@]1(C)CC1(Cl)Cl ZINC000828525151 1131389851 /nfs/dbraw/zinc/38/98/51/1131389851.db2.gz YKWUSIMJXZZDSV-PWSUYJOCSA-N 0 1 273.207 3.658 20 0 CHADMN C[C@@H](CO)C1CCN([C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000649803869 1129678569 /nfs/dbraw/zinc/67/85/69/1129678569.db2.gz RNFLHFRPPIIZKB-NWDGAFQWSA-N 0 1 299.817 3.881 20 0 CHADMN Fc1cccc2c1CN(CCCOCc1ccccc1)CC2 ZINC001168894520 1129680501 /nfs/dbraw/zinc/68/05/01/1129680501.db2.gz SIPAWQJWDVNOKE-UHFFFAOYSA-N 0 1 299.389 3.791 20 0 CHADMN Fc1cccc2c1CN(Cc1ccc3c(c1)CCC3)CC2 ZINC001168893818 1129680973 /nfs/dbraw/zinc/68/09/73/1129680973.db2.gz LPXCYBSDLCZSTQ-UHFFFAOYSA-N 0 1 281.374 3.873 20 0 CHADMN Cc1csc(CN2CCc3ccc(F)cc3[C@@H](C)C2)n1 ZINC000649894381 1129684452 /nfs/dbraw/zinc/68/44/52/1129684452.db2.gz KEORUQDHIGBQOQ-NSHDSACASA-N 0 1 290.407 3.752 20 0 CHADMN CC1(C)CN(Cc2nc3ccccc3[nH]2)CC(C)(C)C1 ZINC001169003528 1129689190 /nfs/dbraw/zinc/68/91/90/1129689190.db2.gz IOCJOCFTFSBMIA-UHFFFAOYSA-N 0 1 271.408 3.821 20 0 CHADMN Cc1cnc(CN)n1-c1cc(-c2ccccc2)ccc1C ZINC001169030852 1129690571 /nfs/dbraw/zinc/69/05/71/1129690571.db2.gz NYHVGFOWXFOCFT-UHFFFAOYSA-N 0 1 277.371 3.615 20 0 CHADMN CC(C)C[C@@H](Cc1ccccc1)NCC(C)(F)F ZINC001169049890 1129691982 /nfs/dbraw/zinc/69/19/82/1129691982.db2.gz KWLUFHDPAKNVBJ-AWEZNQCLSA-N 0 1 255.352 3.889 20 0 CHADMN CC(C)C[C@@H](Cc1ccccc1)NCc1nc(C2CC2)no1 ZINC001169059080 1129693938 /nfs/dbraw/zinc/69/39/38/1129693938.db2.gz NEWQMOQODMHWSF-INIZCTEOSA-N 0 1 299.418 3.694 20 0 CHADMN CC(C)C[C@@H](Cc1ccccc1)N1CCn2cccc2C1 ZINC001169077401 1129697192 /nfs/dbraw/zinc/69/71/92/1129697192.db2.gz GVIOFVLZFXFABO-IBGZPJMESA-N 0 1 282.431 3.961 20 0 CHADMN COC(=O)[C@H]1CCCCCN1CC/C=C/c1ccccc1 ZINC001169153643 1129705231 /nfs/dbraw/zinc/70/52/31/1129705231.db2.gz QGHICDLWBRGRQS-SNQZOLJRSA-N 0 1 287.403 3.508 20 0 CHADMN CCCC(C)(C)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000650558350 1129713553 /nfs/dbraw/zinc/71/35/53/1129713553.db2.gz MMHOOBFTQINUFH-UHFFFAOYSA-N 0 1 270.336 3.691 20 0 CHADMN CC1(NCc2sccc2Cl)CC(F)(F)C1 ZINC000720928956 1129720637 /nfs/dbraw/zinc/72/06/37/1129720637.db2.gz RAIPRVNQXFMKRS-UHFFFAOYSA-N 0 1 251.729 3.679 20 0 CHADMN CN(C)Cc1ccc(-c2c(F)cccc2F)cc1F ZINC001239575833 1131394145 /nfs/dbraw/zinc/39/41/45/1131394145.db2.gz NBBSWJJWBBBJOY-UHFFFAOYSA-N 0 1 265.278 3.833 20 0 CHADMN Cc1nc2cc(NC[C@H](C)c3ccc(O)cc3)ccc2[nH]1 ZINC001169539549 1129734360 /nfs/dbraw/zinc/73/43/60/1129734360.db2.gz NOOCOFPRTGWXCC-NSHDSACASA-N 0 1 281.359 3.793 20 0 CHADMN Cc1c2nc[nH]c2ccc1NC[C@@H](C)c1ccc(O)cc1 ZINC001169540004 1129734462 /nfs/dbraw/zinc/73/44/62/1129734462.db2.gz SAGZIQQAHJLJNR-LLVKDONJSA-N 0 1 281.359 3.793 20 0 CHADMN C[C@@H](CCCc1cccnc1)N[C@@H]1CCCC1(F)F ZINC000651345976 1129737816 /nfs/dbraw/zinc/73/78/16/1129737816.db2.gz VHHIZZFWKCDYFM-GXTWGEPZSA-N 0 1 268.351 3.570 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000651357672 1129737903 /nfs/dbraw/zinc/73/79/03/1129737903.db2.gz NNMVLWMPRJKILP-JDNHERCYSA-N 0 1 291.345 3.725 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000651588870 1129741803 /nfs/dbraw/zinc/74/18/03/1129741803.db2.gz HKHTVXFXVZGARV-OUAUKWLOSA-N 0 1 277.751 3.586 20 0 CHADMN c1cc2c(o1)CCC[C@H]2NCc1cc2cnccc2o1 ZINC000651675792 1129743845 /nfs/dbraw/zinc/74/38/45/1129743845.db2.gz CITWDYSIBMSMDG-CQSZACIVSA-N 0 1 268.316 3.588 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cc2cnccc2o1 ZINC000651790408 1129748935 /nfs/dbraw/zinc/74/89/35/1129748935.db2.gz WIHZLCZIOKHDJG-SKDRFNHKSA-N 0 1 284.281 3.601 20 0 CHADMN CC(C)OCc1nc([C@H](C)N[C@H]2CCCCC[C@@H]2C)no1 ZINC000651815018 1129749662 /nfs/dbraw/zinc/74/96/62/1129749662.db2.gz SYLGJYVVFKZLAC-IHRRRGAJSA-N 0 1 295.427 3.614 20 0 CHADMN CC(C)(CCN1CCOc2cccc(F)c2C1)C1CC1 ZINC001169715182 1129749982 /nfs/dbraw/zinc/74/99/82/1129749982.db2.gz JCFLUOYOYIFUSG-UHFFFAOYSA-N 0 1 277.383 3.846 20 0 CHADMN CC[C@H]1CN(Cc2cc(C)c3ncccc3c2)[C@@H](C)CO1 ZINC000651931536 1129752128 /nfs/dbraw/zinc/75/21/28/1129752128.db2.gz VIJKRNAMKWMHMT-YOEHRIQHSA-N 0 1 284.403 3.543 20 0 CHADMN CCn1cc(CN(Cc2ccc(F)c(C)c2)C(C)C)cn1 ZINC000651959199 1129752808 /nfs/dbraw/zinc/75/28/08/1129752808.db2.gz CKXQMEUNUIROSO-UHFFFAOYSA-N 0 1 289.398 3.761 20 0 CHADMN CC1=C(Br)CN(CCCc2ccccc2)CC1 ZINC001169792452 1129756673 /nfs/dbraw/zinc/75/66/73/1129756673.db2.gz ZSWNPMNMEXWWAB-UHFFFAOYSA-N 0 1 294.236 3.994 20 0 CHADMN COc1ccc([C@H](N[C@@H]2CC2(C)C)c2ccccn2)cc1 ZINC000652174704 1129759319 /nfs/dbraw/zinc/75/93/19/1129759319.db2.gz BNQDTDLEYKSADY-SJORKVTESA-N 0 1 282.387 3.568 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1cccc2ccsc21 ZINC000652219794 1129759773 /nfs/dbraw/zinc/75/97/73/1129759773.db2.gz MEQSWANWKAGRDQ-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1nccc(NCc2ccc(-c3ccccn3)cc2)c1F ZINC001169897977 1129763447 /nfs/dbraw/zinc/76/34/47/1129763447.db2.gz HZDIZBAVKWZGFA-UHFFFAOYSA-N 0 1 293.345 3.625 20 0 CHADMN CC[C@@H]1C[C@H]1CN1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC001169907035 1129764007 /nfs/dbraw/zinc/76/40/07/1129764007.db2.gz BQNPMHMGXOJPAG-CVEARBPZSA-N 0 1 295.430 3.585 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@@H+](CC)C[C@H](CC)c1ccccc1 ZINC000652437356 1129764982 /nfs/dbraw/zinc/76/49/82/1129764982.db2.gz KVQCYYJAJNJKHK-GOEBONIOSA-N 0 1 277.408 3.755 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000652415545 1129765299 /nfs/dbraw/zinc/76/52/99/1129765299.db2.gz ZPVCSPJTARGTDE-AWEZNQCLSA-N 0 1 291.391 3.695 20 0 CHADMN CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000652450935 1129765611 /nfs/dbraw/zinc/76/56/11/1129765611.db2.gz LXFLTZMAXSPJQQ-GXTWGEPZSA-N 0 1 291.391 3.626 20 0 CHADMN CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000652450929 1129765685 /nfs/dbraw/zinc/76/56/85/1129765685.db2.gz LQUFXWIMTKIARW-TZMCWYRMSA-N 0 1 291.391 3.626 20 0 CHADMN Cc1cc2cc(CNCc3cccnc3Cl)ccc2[nH]1 ZINC000796527486 1129775286 /nfs/dbraw/zinc/77/52/86/1129775286.db2.gz FNNJFEQKZFNMLU-UHFFFAOYSA-N 0 1 285.778 3.815 20 0 CHADMN CCN1CCCC[C@@H]1C(=O)Nc1ccc(C)c(SC)c1 ZINC000653010820 1129775821 /nfs/dbraw/zinc/77/58/21/1129775821.db2.gz LYAWPCHTQJUNMS-CQSZACIVSA-N 0 1 292.448 3.530 20 0 CHADMN FC1(F)CCN(CCOc2ccc3ccccc3c2)CC1 ZINC000796543265 1129777073 /nfs/dbraw/zinc/77/70/73/1129777073.db2.gz RTGZYEIGEJGXPM-UHFFFAOYSA-N 0 1 291.341 3.950 20 0 CHADMN FC1(F)CCN(CCSc2ccccc2)CC1 ZINC000796553548 1129779136 /nfs/dbraw/zinc/77/91/36/1129779136.db2.gz WTIMRXZRSYAXKW-UHFFFAOYSA-N 0 1 257.349 3.510 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2ccc(C(F)F)cc2F)n1 ZINC000653490749 1129781571 /nfs/dbraw/zinc/78/15/71/1129781571.db2.gz WRLPATOSOQNCED-LLVKDONJSA-N 0 1 299.296 3.859 20 0 CHADMN CCOc1cccc(Cl)c1CN(CC)C[C@H]1CCOC1 ZINC000653498036 1129782213 /nfs/dbraw/zinc/78/22/13/1129782213.db2.gz FEVZJBVUUYFDME-CYBMUJFWSA-N 0 1 297.826 3.597 20 0 CHADMN Cc1cccc(CN2CCC3(CC(F)(F)CO3)CC2)c1F ZINC001137673498 1131397299 /nfs/dbraw/zinc/39/72/99/1131397299.db2.gz GFPUDTMSTBMJBR-UHFFFAOYSA-N 0 1 299.336 3.524 20 0 CHADMN Cc1cc(CNCc2ccc(N3CCCCC3)nc2)c(C)o1 ZINC000767361254 1129788147 /nfs/dbraw/zinc/78/81/47/1129788147.db2.gz KTRVQIDFOFLJNL-UHFFFAOYSA-N 0 1 299.418 3.572 20 0 CHADMN Cc1ccc(F)c(CN(C)CCc2noc3ccccc32)c1 ZINC000653646751 1129789708 /nfs/dbraw/zinc/78/97/08/1129789708.db2.gz BGRHAWFVKSIDKT-UHFFFAOYSA-N 0 1 298.361 3.950 20 0 CHADMN COc1cccc(C=C2CCN(CCC(=O)C3CC3)CC2)c1 ZINC000767414170 1129791050 /nfs/dbraw/zinc/79/10/50/1129791050.db2.gz GYSWTRHGAUOHLJ-UHFFFAOYSA-N 0 1 299.414 3.544 20 0 CHADMN Cc1cc(CN[C@H](c2cccnc2)C2CC2)c(C)o1 ZINC000767392475 1129791848 /nfs/dbraw/zinc/79/18/48/1129791848.db2.gz IUQHFZXHSTXNJX-INIZCTEOSA-N 0 1 256.349 3.532 20 0 CHADMN Cc1nc(C(C)C)sc1[C@H](C)N(C)CCC(=O)C1CC1 ZINC000767480302 1129795452 /nfs/dbraw/zinc/79/54/52/1129795452.db2.gz SHNJUGGCKVETDM-LBPRGKRZSA-N 0 1 294.464 3.937 20 0 CHADMN Clc1ccsc1CN1CCC[C@@H](OC2CCC2)C1 ZINC000653812879 1129796428 /nfs/dbraw/zinc/79/64/28/1129796428.db2.gz SFXBZSCRRPAURC-GFCCVEGCSA-N 0 1 285.840 3.935 20 0 CHADMN CC[C@H](NCc1csc(C(C)(C)C)n1)[C@H]1CCCCO1 ZINC000653880393 1129800420 /nfs/dbraw/zinc/80/04/20/1129800420.db2.gz KEHAQVFPRSMOPC-UONOGXRCSA-N 0 1 296.480 3.878 20 0 CHADMN CC(CC(=O)OC(C)C)=Nc1ncc(F)c2ccccc21 ZINC001156514062 1129801240 /nfs/dbraw/zinc/80/12/40/1129801240.db2.gz HDTFDWACNXOVRQ-FLIBITNWSA-N 0 1 288.322 3.641 20 0 CHADMN Cc1ccc(CN2C[C@@H](C)OC3(CCCCC3)C2)c(C)n1 ZINC000653903868 1129801581 /nfs/dbraw/zinc/80/15/81/1129801581.db2.gz IUYXNSJKKMUXJQ-OAHLLOKOSA-N 0 1 288.435 3.622 20 0 CHADMN C[C@@H]1Cc2ccccc2N1C1CCN(C/C=C/Cl)CC1 ZINC000767889959 1129818307 /nfs/dbraw/zinc/81/83/07/1129818307.db2.gz NYGJLFWQXKUSRS-CEOUIICOSA-N 0 1 290.838 3.655 20 0 CHADMN C[C@H](NCc1ccnc(Cl)c1)c1ccsc1 ZINC000381277978 1129836301 /nfs/dbraw/zinc/83/63/01/1129836301.db2.gz XJBVTMGFLQGDEL-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN COc1cccc(CN(C)Cc2cc(C)oc2C)c1 ZINC000768163481 1129837612 /nfs/dbraw/zinc/83/76/12/1129837612.db2.gz PTOOVHMWAJQQTN-UHFFFAOYSA-N 0 1 259.349 3.537 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc(Cl)c(C)c2)cc1 ZINC000768173989 1129839773 /nfs/dbraw/zinc/83/97/73/1129839773.db2.gz WQYCODQCXZUXGW-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CN(Cc1ccoc1)Cc1ccccc1N1CCCC1 ZINC000768209630 1129840295 /nfs/dbraw/zinc/84/02/95/1129840295.db2.gz ZPLRDCWIGONMMK-UHFFFAOYSA-N 0 1 270.376 3.512 20 0 CHADMN Cc1ccccc1[C@H](C)OC(=O)c1cccc2[nH]ncc21 ZINC000768184980 1129840474 /nfs/dbraw/zinc/84/04/74/1129840474.db2.gz IXOGOUWKNZEZMF-LBPRGKRZSA-N 0 1 280.327 3.789 20 0 CHADMN CCc1ncc(CN2Cc3ccccc3[C@@H](C)C2)s1 ZINC000768195007 1129842539 /nfs/dbraw/zinc/84/25/39/1129842539.db2.gz IQLCAIUCQOPFGN-LBPRGKRZSA-N 0 1 272.417 3.825 20 0 CHADMN Cc1ccoc1CN1CCN(c2ccc(C)c(C)c2)CC1 ZINC000768240778 1129843892 /nfs/dbraw/zinc/84/38/92/1129843892.db2.gz FZLMXDOTUFSIHU-UHFFFAOYSA-N 0 1 284.403 3.527 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@@H](C)c1cccnc1Cl ZINC000768271151 1129848263 /nfs/dbraw/zinc/84/82/63/1129848263.db2.gz JPMGXIMVZPCEEV-SFYZADRCSA-N 0 1 266.694 3.727 20 0 CHADMN C[C@H](c1ccco1)N(C)Cc1ccc2c(c1)COC2 ZINC000768263478 1129849174 /nfs/dbraw/zinc/84/91/74/1129849174.db2.gz QZBACFZFFISQGG-GFCCVEGCSA-N 0 1 257.333 3.503 20 0 CHADMN C[C@H](Cc1cccs1)NCc1nc(C(C)(C)C)co1 ZINC000724429867 1129852295 /nfs/dbraw/zinc/85/22/95/1129852295.db2.gz QLDCFKHPPMLYFD-LLVKDONJSA-N 0 1 278.421 3.754 20 0 CHADMN CCOC(=O)c1cc2ccc(-c3ccc(CC)cc3)[nH]c-2n1 ZINC001239588548 1131402366 /nfs/dbraw/zinc/40/23/66/1131402366.db2.gz UEMPTUBREVQCNN-UHFFFAOYSA-N 0 1 294.354 3.969 20 0 CHADMN COc1cccc(CNCc2c(C)cccc2C)c1F ZINC000800246522 1129859868 /nfs/dbraw/zinc/85/98/68/1129859868.db2.gz HCRXRHZDJKWCCP-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN Cc1nc(C)c(C(=O)N2CCCc3cc(C(C)C)ccc32)[nH]1 ZINC000900254145 1129872743 /nfs/dbraw/zinc/87/27/43/1129872743.db2.gz CWSSGFPGSAVGCV-UHFFFAOYSA-N 0 1 297.402 3.743 20 0 CHADMN CC(C)CN(Cc1occc1Br)C(C)C ZINC000768780159 1129874019 /nfs/dbraw/zinc/87/40/19/1129874019.db2.gz LSMJYIFSAQQZBV-UHFFFAOYSA-N 0 1 274.202 3.909 20 0 CHADMN CCc1nnc(SCc2ccc(Cl)cc2C)[nH]1 ZINC000768796068 1129874921 /nfs/dbraw/zinc/87/49/21/1129874921.db2.gz QEEJXQWYFHLOCR-UHFFFAOYSA-N 0 1 267.785 3.621 20 0 CHADMN CCc1n[nH]c(SCc2ccc(Cl)cc2C)n1 ZINC000768796068 1129874926 /nfs/dbraw/zinc/87/49/26/1129874926.db2.gz QEEJXQWYFHLOCR-UHFFFAOYSA-N 0 1 267.785 3.621 20 0 CHADMN Cc1cc(C)cc([C@@H](O)CN2CCc3cc(F)ccc3C2)c1 ZINC000768828464 1129876772 /nfs/dbraw/zinc/87/67/72/1129876772.db2.gz ZSGXEEXCVGTLJV-IBGZPJMESA-N 0 1 299.389 3.534 20 0 CHADMN Cc1cc([C@@H](C)NCc2n[nH]c(-c3ccccc3)n2)oc1C ZINC000800487338 1129878349 /nfs/dbraw/zinc/87/83/49/1129878349.db2.gz DPIUSJPYMDJTGS-GFCCVEGCSA-N 0 1 296.374 3.532 20 0 CHADMN Cc1cc([C@@H](C)NCc2nc(-c3ccccc3)n[nH]2)oc1C ZINC000800487338 1129878354 /nfs/dbraw/zinc/87/83/54/1129878354.db2.gz DPIUSJPYMDJTGS-GFCCVEGCSA-N 0 1 296.374 3.532 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCCN(C)Cc1cc(F)cc(F)c1 ZINC001169997699 1129880385 /nfs/dbraw/zinc/88/03/85/1129880385.db2.gz AWGSRDSIHLDNKN-CXAGYDPISA-N 0 1 297.389 3.992 20 0 CHADMN CC1(C)CN(Cc2cnn3ccccc23)[C@H]1c1ccccc1 ZINC000769086570 1129890211 /nfs/dbraw/zinc/89/02/11/1129890211.db2.gz NHVUZZMDFGGYJL-SFHVURJKSA-N 0 1 291.398 3.917 20 0 CHADMN F[C@@H]1CN(Cc2c[nH]c3ccc(Cl)cc23)C[C@@H]2C[C@@H]21 ZINC001137709784 1131405277 /nfs/dbraw/zinc/40/52/77/1131405277.db2.gz FEPWDRFTEZITIY-DUFXMDAXSA-N 0 1 278.758 3.611 20 0 CHADMN CCOC(=O)c1nc2ccc(C=Cc3ccccc3)cc2[nH]1 ZINC001239593871 1131405731 /nfs/dbraw/zinc/40/57/31/1131405731.db2.gz WVZDKFFVKFJCLU-CMDGGOBGSA-N 0 1 292.338 3.910 20 0 CHADMN Cc1cc(Cl)cc(-c2cc3[nH]nnc3cc2F)c1 ZINC001242518356 1129899016 /nfs/dbraw/zinc/89/90/16/1129899016.db2.gz NJJZIWCODBHWII-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c(C)o1 ZINC000769316550 1129901551 /nfs/dbraw/zinc/90/15/51/1129901551.db2.gz HWPPFMXGBICRGM-MRXNPFEDSA-N 0 1 299.370 3.962 20 0 CHADMN Cc1cc(CN2C[C@@H](C)CC[C@H]2C)cnc1Cl ZINC000769444921 1129908149 /nfs/dbraw/zinc/90/81/49/1129908149.db2.gz AEZUZLQSVRHCOD-CMPLNLGQSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1ccc(Cl)c(NC(=O)[C@H]2CC[C@H]3CCCCN32)c1 ZINC000901082503 1129909195 /nfs/dbraw/zinc/90/91/95/1129909195.db2.gz WMISCJLQBOALEG-IUODEOHRSA-N 0 1 292.810 3.604 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)C3(C4CC4)CC3)c2C1 ZINC000901152550 1129910139 /nfs/dbraw/zinc/91/01/39/1129910139.db2.gz ORVGFXJULMPXLK-UHFFFAOYSA-N 0 1 298.430 3.787 20 0 CHADMN CCCCOc1ccc(-c2cc([C@@H](C)N)on2)cc1OC ZINC000901387516 1129919542 /nfs/dbraw/zinc/91/95/42/1129919542.db2.gz RVDOURXKMGNBLL-LLVKDONJSA-N 0 1 290.363 3.549 20 0 CHADMN c1c(CN[C@@H]2CCCc3ccccc32)onc1[C@@H]1CCCO1 ZINC000901396874 1129920739 /nfs/dbraw/zinc/92/07/39/1129920739.db2.gz RAMIXDREENJADJ-AEFFLSMTSA-N 0 1 298.386 3.693 20 0 CHADMN CC(C)(C)[C@H](N)c1cc(-c2cc3ccccc3[nH]c2=O)no1 ZINC000901404236 1129921863 /nfs/dbraw/zinc/92/18/63/1129921863.db2.gz HLAAFPKSORGVJO-OAHLLOKOSA-N 0 1 297.358 3.641 20 0 CHADMN CC(C)(C)[C@@H](N)c1cc(-c2ccc(-n3cccn3)cc2)no1 ZINC000901403622 1129921870 /nfs/dbraw/zinc/92/18/70/1129921870.db2.gz AZENZMZFJRRURW-INIZCTEOSA-N 0 1 296.374 3.573 20 0 CHADMN CCCc1ccc(C[N@H+]2CC[C@@](C(=O)[O-])(C(C)C)C2)s1 ZINC000901468858 1129927431 /nfs/dbraw/zinc/92/74/31/1129927431.db2.gz ORGRAFWYQUSLLX-INIZCTEOSA-N 0 1 295.448 3.633 20 0 CHADMN C[C@@H](NCC(=O)NC1CCCCCCC1)c1ccsc1 ZINC000801570723 1129928301 /nfs/dbraw/zinc/92/83/01/1129928301.db2.gz ULUHJVRVBAVTPX-CYBMUJFWSA-N 0 1 294.464 3.628 20 0 CHADMN CN(C)Cc1ccc(NCc2ncc(Cl)s2)cc1F ZINC000769917941 1129929234 /nfs/dbraw/zinc/92/92/34/1129929234.db2.gz AHLHIUKPRFNWJW-UHFFFAOYSA-N 0 1 299.802 3.609 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1cccc2cccnc21 ZINC000769874982 1129930228 /nfs/dbraw/zinc/93/02/28/1129930228.db2.gz RMAAOSSEFPRYNZ-LBPRGKRZSA-N 0 1 295.386 3.944 20 0 CHADMN COC(=O)/C(C)=C\CN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000746498902 1129933083 /nfs/dbraw/zinc/93/30/83/1129933083.db2.gz CRFXHQHKFURWDC-SUIFULHWSA-N 0 1 287.359 3.545 20 0 CHADMN Cc1cc(NC(=O)c2c(O)cccc2Cl)cnc1Cl ZINC000769932514 1129933594 /nfs/dbraw/zinc/93/35/94/1129933594.db2.gz VBCJMCDDZKGKKC-UHFFFAOYSA-N 0 1 297.141 3.655 20 0 CHADMN CC(C)(C[N@H+]1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000901552396 1129935722 /nfs/dbraw/zinc/93/57/22/1129935722.db2.gz OMHGZMBTLKDHBX-OAHLLOKOSA-N 0 1 289.419 3.541 20 0 CHADMN CC(C)C[C@H](C[N@H+](CC(=O)[O-])CC(C)C)c1ccccc1 ZINC000901589490 1129938151 /nfs/dbraw/zinc/93/81/51/1129938151.db2.gz SVWZXVNYUZTMCN-QGZVFWFLSA-N 0 1 291.435 3.859 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])CCc1ccc(C(C)C)cc1 ZINC000901595146 1129938919 /nfs/dbraw/zinc/93/89/19/1129938919.db2.gz JKCGGBCFQDUYHC-UHFFFAOYSA-N 0 1 291.435 3.785 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@@H+](CCC(=O)[O-])CC1CC1 ZINC000901610474 1129939396 /nfs/dbraw/zinc/93/93/96/1129939396.db2.gz NYABCPLLRSSNGC-CQSZACIVSA-N 0 1 281.440 3.780 20 0 CHADMN Cc1ccc([C@@H](C)C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000901646186 1129940785 /nfs/dbraw/zinc/94/07/85/1129940785.db2.gz JZNPKYPGSPFMST-AWEZNQCLSA-N 0 1 295.382 3.813 20 0 CHADMN COC[C@@H](SCc1n[nH]c(C(C)C)n1)c1ccccc1 ZINC000901664944 1129942580 /nfs/dbraw/zinc/94/25/80/1129942580.db2.gz UBUACADNBHEZDT-CYBMUJFWSA-N 0 1 291.420 3.549 20 0 CHADMN CCCC1CCC(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)CC1 ZINC000901697860 1129945325 /nfs/dbraw/zinc/94/53/25/1129945325.db2.gz UPMKPWTVGRHUFR-DQPZFDDXSA-N 0 1 281.440 3.780 20 0 CHADMN CS[C@H]1CCCCN(Cc2cnc(Cl)c(C)c2)C1 ZINC000770351599 1129945523 /nfs/dbraw/zinc/94/55/23/1129945523.db2.gz SXBMLZQCOGHXIX-ZDUSSCGKSA-N 0 1 284.856 3.761 20 0 CHADMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000901699230 1129945717 /nfs/dbraw/zinc/94/57/17/1129945717.db2.gz MWCPGPCKCVZGDN-SFHVURJKSA-N 0 1 299.370 3.633 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC[C@H]1CC1(Cl)Cl ZINC000822991138 1131409701 /nfs/dbraw/zinc/40/97/01/1131409701.db2.gz OSPXVWNAHHTHMF-VGMNWLOBSA-N 0 1 290.156 3.843 20 0 CHADMN Cc1nc2cccc(C(=O)N(C)c3ccc(C)c(C)c3)c2[nH]1 ZINC000801830883 1129949153 /nfs/dbraw/zinc/94/91/53/1129949153.db2.gz ZZTUGMIAAHZCJC-UHFFFAOYSA-N 0 1 293.370 3.765 20 0 CHADMN CC1=CCC[C@@H](C)[C@H]1C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000901745659 1129949386 /nfs/dbraw/zinc/94/93/86/1129949386.db2.gz BYAWUQJHVWTFAP-KDOFPFPSSA-N 0 1 299.414 3.735 20 0 CHADMN c1ncc(-c2cccc(NCc3[nH]nc4ccccc43)c2)o1 ZINC000770528679 1129950181 /nfs/dbraw/zinc/95/01/81/1129950181.db2.gz VFDAFOMHXMWMAA-UHFFFAOYSA-N 0 1 290.326 3.830 20 0 CHADMN CCO[C@H]1C[C@@H](Nc2ccc(CN(C)C)c(F)c2)C1(C)C ZINC000770520334 1129950572 /nfs/dbraw/zinc/95/05/72/1129950572.db2.gz MVWVXWOCLQMFCX-CVEARBPZSA-N 0 1 294.414 3.503 20 0 CHADMN CN(C)Cc1ccc(NCc2ccc(Cl)o2)cc1F ZINC000770601570 1129952410 /nfs/dbraw/zinc/95/24/10/1129952410.db2.gz OMMPUPWWQKWGOS-UHFFFAOYSA-N 0 1 282.746 3.746 20 0 CHADMN C[C@H]1CO[C@@H](c2ccccc2)CN1CCSC(C)(C)C ZINC000801917495 1129958711 /nfs/dbraw/zinc/95/87/11/1129958711.db2.gz FIGKKFQYGHTDKI-GOEBONIOSA-N 0 1 293.476 3.980 20 0 CHADMN Cc1ccsc1C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000901839947 1129959273 /nfs/dbraw/zinc/95/92/73/1129959273.db2.gz AJCRDHXEBXFHLT-UHFFFAOYSA-N 0 1 283.437 3.625 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC(CC(C)C)CC2)[nH]1 ZINC000801923331 1129959320 /nfs/dbraw/zinc/95/93/20/1129959320.db2.gz GACRDAIYOOEOIB-UHFFFAOYSA-N 0 1 299.418 3.770 20 0 CHADMN CC(C)C[N@@H+](CC1CCC(C)CC1)CC(C)(C)C(=O)[O-] ZINC000901840792 1129959360 /nfs/dbraw/zinc/95/93/60/1129959360.db2.gz OPNCPEWNDVXJLV-UHFFFAOYSA-N 0 1 283.456 3.882 20 0 CHADMN Cc1cccc(C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-])c1C ZINC000901840961 1129959369 /nfs/dbraw/zinc/95/93/69/1129959369.db2.gz SENSRXADWRNMQJ-UHFFFAOYSA-N 0 1 291.435 3.872 20 0 CHADMN Cc1cc(C)c(/C=C\C[N@H+]2CCCC[C@H]2C(=O)[O-])cc1C ZINC000901967862 1129968222 /nfs/dbraw/zinc/96/82/22/1129968222.db2.gz KYHWQQQCNSXFNG-TUYSUELWSA-N 0 1 287.403 3.564 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000902006508 1129971000 /nfs/dbraw/zinc/97/10/00/1129971000.db2.gz GFFSSYMXXRIMSI-MWDXBVQZSA-N 0 1 293.451 3.944 20 0 CHADMN Cc1cc(C)c(C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])cc1C ZINC000902019262 1129972098 /nfs/dbraw/zinc/97/20/98/1129972098.db2.gz NPGWBOUMLMYKCZ-INIZCTEOSA-N 0 1 277.408 3.543 20 0 CHADMN O=C([O-])[C@H]1CCCCC[N@H+]1Cc1cc2ccccc2s1 ZINC000902038870 1129973209 /nfs/dbraw/zinc/97/32/09/1129973209.db2.gz FIKLKMUZALHYJK-CQSZACIVSA-N 0 1 289.400 3.731 20 0 CHADMN CC(C)Oc1cccc(CN[C@H](C)c2ccc(F)cn2)c1 ZINC000771383062 1129977436 /nfs/dbraw/zinc/97/74/36/1129977436.db2.gz KKZZWDASRKKPOX-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1nc2ccccc2s1 ZINC000691502019 1129981666 /nfs/dbraw/zinc/98/16/66/1129981666.db2.gz SFUAHRPHCMHWOW-JKOKRWQUSA-N 0 1 288.416 3.514 20 0 CHADMN C[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1nc2ccccc2s1 ZINC000691502023 1129981720 /nfs/dbraw/zinc/98/17/20/1129981720.db2.gz SFUAHRPHCMHWOW-SUHUHFCYSA-N 0 1 288.416 3.514 20 0 CHADMN CNc1ccccc1CN[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000902127930 1129982518 /nfs/dbraw/zinc/98/25/18/1129982518.db2.gz ZPUQWQSTYBPDBL-RTBURBONSA-N 0 1 296.414 3.738 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C=C3CC[C@H](C)C3)c2C)o1 ZINC000771670262 1129986874 /nfs/dbraw/zinc/98/68/74/1129986874.db2.gz WGSPOZQVTGCXOV-YWEFTTLKSA-N 0 1 299.374 3.971 20 0 CHADMN CC(C)C[N@@H+](C)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902195476 1129987366 /nfs/dbraw/zinc/98/73/66/1129987366.db2.gz HHCPHSVZJKZBSK-UHFFFAOYSA-N 0 1 287.359 3.733 20 0 CHADMN CC(F)(F)CCCSc1nc(-c2ccccc2O)n[nH]1 ZINC000902198733 1129987685 /nfs/dbraw/zinc/98/76/85/1129987685.db2.gz YVZWZIBXSYMQSM-UHFFFAOYSA-N 0 1 299.346 3.705 20 0 CHADMN CNc1ccc(C)cc1CNC1(c2ccc(F)cc2)CC1 ZINC000902206891 1129988897 /nfs/dbraw/zinc/98/88/97/1129988897.db2.gz XGOLQMQERBNQQT-UHFFFAOYSA-N 0 1 284.378 3.955 20 0 CHADMN CNc1ccc(C)cc1CNC1(c2ccc(OC)cc2)CC1 ZINC000902224084 1129991581 /nfs/dbraw/zinc/99/15/81/1129991581.db2.gz XHYPTDIQTYCYPT-UHFFFAOYSA-N 0 1 296.414 3.824 20 0 CHADMN CNc1ccccc1CN[C@@H](c1ncccc1C)C(C)C ZINC000902245321 1129993309 /nfs/dbraw/zinc/99/33/09/1129993309.db2.gz PGGPYJKUDQLPLL-QGZVFWFLSA-N 0 1 283.419 3.919 20 0 CHADMN CC1(C)CC[N@@H+](Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC000902271883 1129995406 /nfs/dbraw/zinc/99/54/06/1129995406.db2.gz SUCGSCGZUYJWKU-UHFFFAOYSA-N 0 1 299.370 3.877 20 0 CHADMN COc1cccc2cc(CN(C)Cc3cccc(O)c3)oc21 ZINC000771934990 1129996949 /nfs/dbraw/zinc/99/69/49/1129996949.db2.gz GMIORQUAWZHLIZ-UHFFFAOYSA-N 0 1 297.354 3.779 20 0 CHADMN COc1cc(CSCc2[nH]ncc2C)ccc1SC ZINC000902326380 1129999624 /nfs/dbraw/zinc/99/96/24/1129999624.db2.gz XALBMJDFTVGIII-UHFFFAOYSA-N 0 1 294.445 3.882 20 0 CHADMN CC[C@@H](C)OC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000772107320 1130004689 /nfs/dbraw/zinc/00/46/89/1130004689.db2.gz PZJVYKJBLJDVBC-LLVKDONJSA-N 0 1 272.348 3.649 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OC1CCCC1 ZINC000772108206 1130004985 /nfs/dbraw/zinc/00/49/85/1130004985.db2.gz TZQDRBMRBUVMFD-UHFFFAOYSA-N 0 1 284.359 3.793 20 0 CHADMN CCC1(CC)CCC[N@@H+](CCC(C)(C)C(=O)[O-])CC1 ZINC000902445809 1130011519 /nfs/dbraw/zinc/01/15/19/1130011519.db2.gz POSHLAZUPIPVHF-UHFFFAOYSA-N 0 1 269.429 3.780 20 0 CHADMN Cc1cnc(CN2CCC(c3cccc(F)c3)CC2)s1 ZINC000772204262 1130012009 /nfs/dbraw/zinc/01/20/09/1130012009.db2.gz MBDDEDMMQFGZEY-UHFFFAOYSA-N 0 1 290.407 3.970 20 0 CHADMN CNc1ccccc1CNCc1ccc(OC(C)(C)C)nc1 ZINC000902468513 1130013873 /nfs/dbraw/zinc/01/38/73/1130013873.db2.gz UUXQQDYFSUBOMO-UHFFFAOYSA-N 0 1 299.418 3.590 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@@H]2NCc1csc(N)n1 ZINC000902498629 1130018577 /nfs/dbraw/zinc/01/85/77/1130018577.db2.gz GUGXDSVTVXYGBA-AWEZNQCLSA-N 0 1 287.432 3.509 20 0 CHADMN CCSc1cc(CNCc2ccccc2NC)ccn1 ZINC000902501621 1130018830 /nfs/dbraw/zinc/01/88/30/1130018830.db2.gz QSQHBGOJRSQOHW-UHFFFAOYSA-N 0 1 287.432 3.525 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3c2cccc3F)c(C)o1 ZINC000747815670 1130019090 /nfs/dbraw/zinc/01/90/90/1130019090.db2.gz KNEVZTWOTLJUBB-MRXNPFEDSA-N 0 1 259.324 3.813 20 0 CHADMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902518575 1130019277 /nfs/dbraw/zinc/01/92/77/1130019277.db2.gz NTPPZAXEWDNTLG-TZMCWYRMSA-N 0 1 298.386 3.553 20 0 CHADMN CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000902517248 1130019419 /nfs/dbraw/zinc/01/94/19/1130019419.db2.gz PHJDQXIYSIZYKN-HNNXBMFYSA-N 0 1 277.408 3.816 20 0 CHADMN CCc1oc(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1C(=O)[O-] ZINC000902517696 1130020030 /nfs/dbraw/zinc/02/00/30/1130020030.db2.gz HBSDFPKFGQQTAX-TYNCELHUSA-N 0 1 291.391 3.693 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])c(CC)o1 ZINC000902521469 1130020593 /nfs/dbraw/zinc/02/05/93/1130020593.db2.gz PKHJIPMJXPUDBG-SWLSCSKDSA-N 0 1 293.407 3.941 20 0 CHADMN Cc1cc(C[N@H+](C)[C@H](C)C2CCCCC2)oc1C(=O)[O-] ZINC000902546136 1130022768 /nfs/dbraw/zinc/02/27/68/1130022768.db2.gz SAQFBTKWIYKNQW-GFCCVEGCSA-N 0 1 279.380 3.687 20 0 CHADMN CCCC[N@@H+](CCC(C)(C)C(=O)[O-])[C@@H]1CCCC[C@H]1OC ZINC000902552978 1130023897 /nfs/dbraw/zinc/02/38/97/1130023897.db2.gz AWHCSIYVTKBDSP-HUUCEWRRSA-N 0 1 299.455 3.547 20 0 CHADMN CCC[C@@H](C[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000902560393 1130024833 /nfs/dbraw/zinc/02/48/33/1130024833.db2.gz SMNMYCUAJRUHMU-HYVNUMGLSA-N 0 1 289.419 3.613 20 0 CHADMN CNc1ccc(C)cc1CN[C@@H]1c2ccccc2O[C@H]1C ZINC000902562399 1130025380 /nfs/dbraw/zinc/02/53/80/1130025380.db2.gz MMXKNHXRFYUZIP-UGSOOPFHSA-N 0 1 282.387 3.649 20 0 CHADMN CNc1ccccc1CNCc1cnccc1C(C)(C)C ZINC000902594699 1130029682 /nfs/dbraw/zinc/02/96/82/1130029682.db2.gz FTUVFEGSCZGTAW-UHFFFAOYSA-N 0 1 283.419 3.711 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCc1ccoc1 ZINC000772643852 1130034375 /nfs/dbraw/zinc/03/43/75/1130034375.db2.gz JTMSBYARUSSRGQ-UHFFFAOYSA-N 0 1 296.326 3.644 20 0 CHADMN CC/C=C\COC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000772646033 1130034600 /nfs/dbraw/zinc/03/46/00/1130034600.db2.gz UJFQFIZGEPLBQN-WAYWQWQTSA-N 0 1 284.359 3.817 20 0 CHADMN COc1ccc(C(C)C)cc1-c1nccc2c1CCN2 ZINC001239658669 1130037477 /nfs/dbraw/zinc/03/74/77/1130037477.db2.gz XRGFAMGIHDYSGF-UHFFFAOYSA-N 0 1 268.360 3.849 20 0 CHADMN CCCCOCCN[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902780653 1130055468 /nfs/dbraw/zinc/05/54/68/1130055468.db2.gz NNECHXOYQDNQQL-NSHDSACASA-N 0 1 290.329 3.568 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)C1CCCCC1)c1cn(C)nn1 ZINC000902770391 1130055042 /nfs/dbraw/zinc/05/50/42/1130055042.db2.gz KVVWYNUQMTUYPG-KDOFPFPSSA-N 0 1 298.434 3.787 20 0 CHADMN [NH3+]Cc1c[nH]c2ccc(-c3cccc([O-])c3Cl)cc12 ZINC001242802697 1130056826 /nfs/dbraw/zinc/05/68/26/1130056826.db2.gz FQPMRZSLHOMZFM-UHFFFAOYSA-N 0 1 272.735 3.653 20 0 CHADMN C/C(=C/C(C)(C)C)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000785877035 1130057760 /nfs/dbraw/zinc/05/77/60/1130057760.db2.gz RTGWNIITSSJNHJ-HJWRWDBZSA-N 0 1 275.327 3.633 20 0 CHADMN CCCn1cc([C@@H](C)N[C@H](c2ccccc2C)C2CC2)nn1 ZINC000902801672 1130060179 /nfs/dbraw/zinc/06/01/79/1130060179.db2.gz DHELICFGHLMQQT-KDOFPFPSSA-N 0 1 298.434 3.798 20 0 CHADMN CC[C@@H](C(=O)OCc1sccc1Cl)N(CC)CC ZINC000785914693 1130062732 /nfs/dbraw/zinc/06/27/32/1130062732.db2.gz KBCYAZTWEMPOCH-NSHDSACASA-N 0 1 289.828 3.565 20 0 CHADMN Cc1cccc([C@H](N[C@@H](C)c2cn(C)nn2)C(C)(C)C)c1 ZINC000902832927 1130066996 /nfs/dbraw/zinc/06/69/96/1130066996.db2.gz SATIGCQQNRGXKV-BBRMVZONSA-N 0 1 286.423 3.562 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cc(F)ccc1F ZINC001239712132 1130067721 /nfs/dbraw/zinc/06/77/21/1130067721.db2.gz PIBWKIWDMDZGGI-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN Cc1cccc(-c2cc(N3CCCC3)ccn2)c1C ZINC001239714538 1130067943 /nfs/dbraw/zinc/06/79/43/1130067943.db2.gz LAHYNEDEXHZZGV-UHFFFAOYSA-N 0 1 252.361 3.966 20 0 CHADMN CC(C)(C)c1nnc(CNC2C[C@H]3CCC[C@@H]3C2)s1 ZINC000902878587 1130077473 /nfs/dbraw/zinc/07/74/73/1130077473.db2.gz HAAULUFTCBDGHB-GHMZBOCLSA-N 0 1 279.453 3.504 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(C(F)(F)F)cn1)c1ccc[nH]1 ZINC000902889951 1130078664 /nfs/dbraw/zinc/07/86/64/1130078664.db2.gz TWZFZUVLJARQDO-NXEZZACHSA-N 0 1 283.297 3.840 20 0 CHADMN C[C@@H](NCCOC(C)(C)C)c1ccc(C(F)(F)F)cn1 ZINC000902906830 1130081567 /nfs/dbraw/zinc/08/15/67/1130081567.db2.gz ISOCCCSLWVZTNU-SNVBAGLBSA-N 0 1 290.329 3.566 20 0 CHADMN F[C@@H]1CCCN(C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000902991325 1130097126 /nfs/dbraw/zinc/09/71/26/1130097126.db2.gz OKXUOZULZUUWQV-IKGGRYGDSA-N 0 1 277.383 3.731 20 0 CHADMN CC[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)C1 ZINC000394518059 1130104044 /nfs/dbraw/zinc/10/40/44/1130104044.db2.gz FJTUUKWFJZBREQ-OWCLPIDISA-N 0 1 281.440 3.780 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1cccc(C2CC2)c1)c1nncn1C ZINC000903063680 1130108036 /nfs/dbraw/zinc/10/80/36/1130108036.db2.gz GWFLTUMQTYPCGX-SUMWQHHRSA-N 0 1 298.434 3.740 20 0 CHADMN S=c1nc2[nH]cnc(-c3cnc4ccccc4c3)c-2s1 ZINC001239792603 1130109448 /nfs/dbraw/zinc/10/94/48/1130109448.db2.gz DJWSFRCYEHQDEY-UHFFFAOYSA-N 0 1 296.380 3.590 20 0 CHADMN CN(C)Cc1ccc(N[C@@H](c2ccccn2)C2CC2)cc1F ZINC000903147883 1130119986 /nfs/dbraw/zinc/11/99/86/1130119986.db2.gz TXCQHOPEVAUWRB-GOSISDBHSA-N 0 1 299.393 3.846 20 0 CHADMN Cc1cscc1CN[C@@H](c1ccccn1)C1CC1 ZINC000903160191 1130121029 /nfs/dbraw/zinc/12/10/29/1130121029.db2.gz USQIUKVRPXRRLJ-OAHLLOKOSA-N 0 1 258.390 3.692 20 0 CHADMN CCOC(=O)c1cc2ccc(-c3ccc(C)c(F)c3)[nH]c-2n1 ZINC001239819539 1130123121 /nfs/dbraw/zinc/12/31/21/1130123121.db2.gz UJYBTDZGYZNUER-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN COc1ccc(-c2cc3[nH]cnc3cc2C)c(C)c1 ZINC001239826149 1130127059 /nfs/dbraw/zinc/12/70/59/1130127059.db2.gz ORGIJZMFLUUNLK-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN c1ccc2c(c1)NCCC[C@@H]2NCc1nc2c(s1)CCC2 ZINC000903191628 1130127049 /nfs/dbraw/zinc/12/70/49/1130127049.db2.gz YZWVGBQNUNSCOJ-AWEZNQCLSA-N 0 1 299.443 3.668 20 0 CHADMN c1ccc2c(c1)nccc2-c1cc(N2CCCC2)ccn1 ZINC001239848890 1130133219 /nfs/dbraw/zinc/13/32/19/1130133219.db2.gz FIQSDZSRGNVNPT-UHFFFAOYSA-N 0 1 275.355 3.897 20 0 CHADMN c1nc2c(s1)CCC[C@H]2N[C@@H]1CCOC12CCCCC2 ZINC000903267976 1130140799 /nfs/dbraw/zinc/14/07/99/1130140799.db2.gz JCEYQIIGZCYVIB-TZMCWYRMSA-N 0 1 292.448 3.602 20 0 CHADMN CC(C)CC[C@@H](NCc1cnn(CCF)c1)c1ccoc1 ZINC000903274002 1130142720 /nfs/dbraw/zinc/14/27/20/1130142720.db2.gz HQALLSRSOHMXFL-MRXNPFEDSA-N 0 1 293.386 3.713 20 0 CHADMN CCN(CC)C(=O)c1ccc(-c2nccc3[nH]ccc32)cc1 ZINC001239886986 1130146793 /nfs/dbraw/zinc/14/67/93/1130146793.db2.gz MCWQWNMCGVNQIN-UHFFFAOYSA-N 0 1 293.370 3.712 20 0 CHADMN COc1ccc2c(c1F)CC[C@H]2N[C@H](C)c1cncs1 ZINC000903311097 1130150824 /nfs/dbraw/zinc/15/08/24/1130150824.db2.gz NHKUVHZOTGWHJP-BXKDBHETSA-N 0 1 292.379 3.629 20 0 CHADMN COCc1cccc(-c2cccc3nc(C)[nH]c32)c1 ZINC001239936622 1130159189 /nfs/dbraw/zinc/15/91/89/1130159189.db2.gz ZQGUOOWSYVTKFD-UHFFFAOYSA-N 0 1 252.317 3.685 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@H](c1ccccn1)C1CC1 ZINC000903337801 1130161829 /nfs/dbraw/zinc/16/18/29/1130161829.db2.gz FQBFTRKULMGAMO-ACJLOTCBSA-N 0 1 282.387 3.892 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@H](c2ccccn2)C2CC2)s1 ZINC000903338215 1130161847 /nfs/dbraw/zinc/16/18/47/1130161847.db2.gz HAUHYGDRMZNDQA-ABAIWWIYSA-N 0 1 287.432 3.957 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](c2ccccn2)C2CC2)s1 ZINC000903339493 1130162622 /nfs/dbraw/zinc/16/26/22/1130162622.db2.gz MAPUSGLZWWKIQM-BONVTDFDSA-N 0 1 273.405 3.648 20 0 CHADMN C[C@H](N[C@@H](c1ccccn1)C1CC1)c1ccsc1 ZINC000903341543 1130162927 /nfs/dbraw/zinc/16/29/27/1130162927.db2.gz ZKXOYPOVAMDDCS-XHDPSFHLSA-N 0 1 258.390 3.945 20 0 CHADMN CN(C)c1cc(N[C@H]2CCCc3[nH]ncc32)ccc1Cl ZINC000903355500 1130166419 /nfs/dbraw/zinc/16/64/19/1130166419.db2.gz WUGDTNXQWXZAKM-ZDUSSCGKSA-N 0 1 290.798 3.619 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000903593998 1130183260 /nfs/dbraw/zinc/18/32/60/1130183260.db2.gz AYWJBTJQIQBWEO-UXLLHSPISA-N 0 1 289.419 3.592 20 0 CHADMN C[C@@H]1CC[N@@H+](CCCCCC(=O)[O-])[C@@H]1c1ccccc1 ZINC000903625075 1130184625 /nfs/dbraw/zinc/18/46/25/1130184625.db2.gz FKWWGYFLQOHTSD-PBHICJAKSA-N 0 1 275.392 3.715 20 0 CHADMN C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000903631600 1130185653 /nfs/dbraw/zinc/18/56/53/1130185653.db2.gz OZCURKVUMXXLJS-HOCLYGCPSA-N 0 1 287.403 3.509 20 0 CHADMN CCC1(CC)CCC[N@@H+](CCC2(C(=O)[O-])CCC2)CC1 ZINC000903701826 1130191077 /nfs/dbraw/zinc/19/10/77/1130191077.db2.gz SLBMVKVACBOLHE-UHFFFAOYSA-N 0 1 281.440 3.924 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@H]2CC2CCCC2)CCC1 ZINC000903702396 1130191496 /nfs/dbraw/zinc/19/14/96/1130191496.db2.gz AXKVMMSOXMXXDH-HNNXBMFYSA-N 0 1 279.424 3.676 20 0 CHADMN CC1(C)CC[N@@H+](CCC2(C(=O)[O-])CCC2)CC(C)(C)C1 ZINC000903706338 1130192378 /nfs/dbraw/zinc/19/23/78/1130192378.db2.gz HMYXAAINZVGYSC-UHFFFAOYSA-N 0 1 281.440 3.780 20 0 CHADMN CC[C@H](CSC)N[C@@H]1COCc2cccc(Cl)c21 ZINC000788691271 1130200726 /nfs/dbraw/zinc/20/07/26/1130200726.db2.gz LMQGTUSTRGVZJH-DGCLKSJQSA-N 0 1 285.840 3.643 20 0 CHADMN COc1ccc(-c2cc3nc[nH]c3cc2OC)cc1Cl ZINC001240031942 1130201012 /nfs/dbraw/zinc/20/10/12/1130201012.db2.gz RSWLFVNHCZGHBG-UHFFFAOYSA-N 0 1 288.734 3.901 20 0 CHADMN CC[N@@H+](C[C@@H]1C[C@H]1C(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000903887804 1130208520 /nfs/dbraw/zinc/20/85/20/1130208520.db2.gz FJEVBRPEGRQMGU-FPMFFAJLSA-N 0 1 287.359 3.536 20 0 CHADMN CC1(C)C[C@@H](c2ccccc2)C[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000903934085 1130209623 /nfs/dbraw/zinc/20/96/23/1130209623.db2.gz ICUYKPZJVZNRQS-OAHLLOKOSA-N 0 1 287.403 3.509 20 0 CHADMN CCCCCC[N@H+](Cc1ccc(C)o1)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903914076 1130210650 /nfs/dbraw/zinc/21/06/50/1130210650.db2.gz CNGRZTGKLNNZSX-GOEBONIOSA-N 0 1 293.407 3.691 20 0 CHADMN Cc1cc(C)cc(C[N@@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)c1 ZINC000903951631 1130211079 /nfs/dbraw/zinc/21/10/79/1130211079.db2.gz UBTITFOJNKYNJM-KLZNWCGWSA-N 0 1 289.419 3.623 20 0 CHADMN O=C([O-])c1ccccc1C[N@@H+](CCc1ccccc1)C1CC1 ZINC000903945652 1130211315 /nfs/dbraw/zinc/21/13/15/1130211315.db2.gz ZHJHLEFASWPAHU-UHFFFAOYSA-N 0 1 295.382 3.592 20 0 CHADMN CCc1ccccc1C[N@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]1C ZINC000903952891 1130212504 /nfs/dbraw/zinc/21/25/04/1130212504.db2.gz MMYWLKYDBUMPJI-CFAJVAMVSA-N 0 1 289.419 3.569 20 0 CHADMN Cc1cc(C[N@@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]2C)c(C)s1 ZINC000903951708 1130212548 /nfs/dbraw/zinc/21/25/48/1130212548.db2.gz VAHKPDNDSIUGOR-NPZRNVLXSA-N 0 1 295.448 3.685 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CC2CCC3(CC3)CC2)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903952966 1130213087 /nfs/dbraw/zinc/21/30/87/1130213087.db2.gz YLAUGVGZDVQQTK-ORIJERBGSA-N 0 1 293.451 3.776 20 0 CHADMN COc1ccc(F)c(-c2cc(F)c3c(c2)CN(C)CC3)c1 ZINC001240120303 1130216443 /nfs/dbraw/zinc/21/64/43/1130216443.db2.gz DHYKQASQGHCLBN-UHFFFAOYSA-N 0 1 289.325 3.628 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3c(c2)CCCC3)[C@@H](CC)CO1 ZINC001206569603 1130220004 /nfs/dbraw/zinc/22/00/04/1130220004.db2.gz XCIRFAAZBZSPHN-RBUKOAKNSA-N 0 1 287.447 3.955 20 0 CHADMN CN(Cc1nc2ccccc2c(=O)[nH]1)C1CCCCCCC1 ZINC000748804818 1130248240 /nfs/dbraw/zinc/24/82/40/1130248240.db2.gz CIOYDNJTIKGTHG-UHFFFAOYSA-N 0 1 299.418 3.880 20 0 CHADMN C[C@H]1CC[C@H](NC2(c3cccc(C(F)(F)F)c3)COC2)C1 ZINC001170105728 1130249042 /nfs/dbraw/zinc/24/90/42/1130249042.db2.gz SIXDXSALTXSXLU-FZMZJTMJSA-N 0 1 299.336 3.709 20 0 CHADMN Cc1ccc(CN(C)Cc2cncc3ccccc32)nc1 ZINC000789594043 1130264024 /nfs/dbraw/zinc/26/40/24/1130264024.db2.gz FCPMYQALMFSNCW-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OC[C@H](C)C1CC1 ZINC000789605743 1130265658 /nfs/dbraw/zinc/26/56/58/1130265658.db2.gz CQSFCFDBXQIBQN-LBPRGKRZSA-N 0 1 298.386 3.896 20 0 CHADMN C[C@H]1CCCC[C@H]1OCCN(C)Cc1ccc(Cl)nc1 ZINC000749155472 1130269017 /nfs/dbraw/zinc/26/90/17/1130269017.db2.gz HLXMRTVRAWGNBF-DZGCQCFKSA-N 0 1 296.842 3.762 20 0 CHADMN Cc1nc2cccc(-c3ccnc(C(F)(F)F)c3)c2[nH]1 ZINC001240340353 1130270299 /nfs/dbraw/zinc/27/02/99/1130270299.db2.gz VJFXHNLQKUAMQL-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN C/C=C(\CC)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000789661667 1130270478 /nfs/dbraw/zinc/27/04/78/1130270478.db2.gz CHXQQSLIRMEYDB-FPYGCLRLSA-N 0 1 297.280 3.877 20 0 CHADMN COc1ccc(Cl)c(C[N@@H+](C)CC2CC(F)(F)C2)c1 ZINC001137265301 1130271614 /nfs/dbraw/zinc/27/16/14/1130271614.db2.gz YFSMLWFXFYZJCA-UHFFFAOYSA-N 0 1 289.753 3.826 20 0 CHADMN c1nc2ccc(-c3ccc4ncsc4c3)cc2[nH]1 ZINC001240344108 1130272138 /nfs/dbraw/zinc/27/21/38/1130272138.db2.gz AQADDYHGGIOPNV-UHFFFAOYSA-N 0 1 251.314 3.840 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)N1CCc2cn[nH]c2C1 ZINC000676796345 1130272398 /nfs/dbraw/zinc/27/23/98/1130272398.db2.gz IUBPTHCJTOSAKV-OAHLLOKOSA-N 0 1 275.783 3.573 20 0 CHADMN Cc1nc([C@@H](C)NCCOc2ccccc2C)c(C)s1 ZINC000676839024 1130273253 /nfs/dbraw/zinc/27/32/53/1130273253.db2.gz JINKZHCFMLEUFB-GFCCVEGCSA-N 0 1 290.432 3.798 20 0 CHADMN CCn1cc(CN(C)[C@H]2CCc3c2cccc3Cl)cn1 ZINC000676889916 1130274890 /nfs/dbraw/zinc/27/48/90/1130274890.db2.gz XVWKLSNORAUCRN-INIZCTEOSA-N 0 1 289.810 3.676 20 0 CHADMN Cn1cc(-c2ccc(-c3nccc4[nH]ccc43)cc2)cn1 ZINC001240359449 1130277508 /nfs/dbraw/zinc/27/75/08/1130277508.db2.gz KGKYVCOHDMNWRJ-UHFFFAOYSA-N 0 1 274.327 3.630 20 0 CHADMN CC(C)n1cnc2cc(-c3cc4[nH]cnc4cn3)ccc21 ZINC001240366951 1130279650 /nfs/dbraw/zinc/27/96/50/1130279650.db2.gz BXYDVHWSAGHBAU-UHFFFAOYSA-N 0 1 277.331 3.556 20 0 CHADMN C[C@]1(F)CCCCN(Cc2cnc3ccccc3c2)C1 ZINC001137278291 1130281744 /nfs/dbraw/zinc/28/17/44/1130281744.db2.gz SXYOZUJVYDGUBV-KRWDZBQOSA-N 0 1 272.367 3.949 20 0 CHADMN CC(C)n1cnc2cc(-c3cccn4cncc34)ccc21 ZINC001240371334 1130282133 /nfs/dbraw/zinc/28/21/33/1130282133.db2.gz LEXUEGWLDGMINE-UHFFFAOYSA-N 0 1 276.343 3.932 20 0 CHADMN Cc1cccc(-c2noc(CN3CCC[C@@H](C4CC4)C3)n2)c1 ZINC000677018567 1130282210 /nfs/dbraw/zinc/28/22/10/1130282210.db2.gz IQXOZKAFOUMOKH-MRXNPFEDSA-N 0 1 297.402 3.667 20 0 CHADMN CN(C)Cc1ccc(N[C@H]2CCC(C)(C)C2)cc1F ZINC000753725565 1130285371 /nfs/dbraw/zinc/28/53/71/1130285371.db2.gz OTECCIABCYHUEE-AWEZNQCLSA-N 0 1 264.388 3.878 20 0 CHADMN Cc1cc(C2=CCCN(Cc3ccccc3)C2)cc(F)n1 ZINC001240387924 1130286399 /nfs/dbraw/zinc/28/63/99/1130286399.db2.gz WHBPKVASWDKESL-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN C[C@@H]1CC[C@@H](N(Cc2ccccn2)Cc2ccccn2)C1 ZINC001170125998 1130286904 /nfs/dbraw/zinc/28/69/04/1130286904.db2.gz QRLUBXQDTFREEJ-CRAIPNDOSA-N 0 1 281.403 3.667 20 0 CHADMN Fc1cc(C(F)(F)F)ccc1-c1cncc2nc[nH]c21 ZINC001240397260 1130291276 /nfs/dbraw/zinc/29/12/76/1130291276.db2.gz WJJQWMTXWWCRPR-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN Cc1csc(CN2CC[C@H]3CCCO[C@H]3C2)c1Cl ZINC001137287247 1130292331 /nfs/dbraw/zinc/29/23/31/1130292331.db2.gz DNHYLKKZPDGMOF-NEPJUHHUSA-N 0 1 285.840 3.711 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cc(C)sc1C ZINC001240431105 1130308613 /nfs/dbraw/zinc/30/86/13/1130308613.db2.gz OXFLHLAGVPMCGZ-UHFFFAOYSA-N 0 1 258.346 3.917 20 0 CHADMN C[C@@H](NC(=O)c1c(O)cc(Cl)cc1Cl)C1CCC1 ZINC000677413124 1130310002 /nfs/dbraw/zinc/31/00/02/1130310002.db2.gz XSKGERGVTDLZEL-SSDOTTSWSA-N 0 1 288.174 3.617 20 0 CHADMN CN1Cc2ccccc2[C@H](Nc2nccc3sccc32)C1 ZINC000677420555 1130311601 /nfs/dbraw/zinc/31/16/01/1130311601.db2.gz KYRHXOMDRMWVSY-OAHLLOKOSA-N 0 1 295.411 3.895 20 0 CHADMN CC(C)(C)OC(=O)c1ccc(-c2cccc3cncn32)cc1 ZINC001240440489 1130313377 /nfs/dbraw/zinc/31/33/77/1130313377.db2.gz MALPTHKKSZIZBX-UHFFFAOYSA-N 0 1 294.354 3.957 20 0 CHADMN Cc1nc2ccc(-c3ccc4c(c3)c(C)nn4C)cc2[nH]1 ZINC001240456886 1130317580 /nfs/dbraw/zinc/31/75/80/1130317580.db2.gz NBBOWNOPHIAIKK-UHFFFAOYSA-N 0 1 276.343 3.733 20 0 CHADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)[C@@H]1CC12CCC2 ZINC000677600181 1130318448 /nfs/dbraw/zinc/31/84/48/1130318448.db2.gz BTEDPQZCUAMCMR-VIFPVBQESA-N 0 1 291.301 3.629 20 0 CHADMN CCc1ccc(-c2noc(CN3CCC4(CC4)CC3)n2)cc1 ZINC000677716735 1130322366 /nfs/dbraw/zinc/32/23/66/1130322366.db2.gz NEPMCONEFBSVHD-UHFFFAOYSA-N 0 1 297.402 3.675 20 0 CHADMN Cc1cc2cc(-c3cc(N4CCCC4)ccn3)cnc2[nH]1 ZINC001240475772 1130323408 /nfs/dbraw/zinc/32/34/08/1130323408.db2.gz ZAYOPEOBHBOYFR-UHFFFAOYSA-N 0 1 278.359 3.534 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2cnc(C)s2)cc1 ZINC000677753298 1130328406 /nfs/dbraw/zinc/32/84/06/1130328406.db2.gz FKOKGJIQUKLLSE-LLVKDONJSA-N 0 1 276.405 3.701 20 0 CHADMN Cn1c2cc(Cl)ccc2nc1CN[C@H]1CCC(F)(F)C1 ZINC000677851271 1130334601 /nfs/dbraw/zinc/33/46/01/1130334601.db2.gz WPLSVCCZAVZWJK-JTQLQIEISA-N 0 1 299.752 3.504 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)[C@@H]3CC34CCC4)c2C1 ZINC000677923153 1130338706 /nfs/dbraw/zinc/33/87/06/1130338706.db2.gz OCJYGOVHEHSNLC-INIZCTEOSA-N 0 1 298.430 3.787 20 0 CHADMN FC(F)(F)[C@@H]1CCN(Cc2cc3ccccc3[nH]2)C1 ZINC001137319294 1130341784 /nfs/dbraw/zinc/34/17/84/1130341784.db2.gz VGYGUEQLGWMZLV-LLVKDONJSA-N 0 1 268.282 3.552 20 0 CHADMN Fc1ccc(C(F)(F)F)c(-c2nccc3c2CCN3)c1 ZINC001240530576 1130345152 /nfs/dbraw/zinc/34/51/52/1130345152.db2.gz KSYGLZZFKHVXSS-UHFFFAOYSA-N 0 1 282.240 3.875 20 0 CHADMN Fc1ccc(C(F)(F)F)c(-c2cncc3nc[nH]c32)c1 ZINC001240532401 1130346492 /nfs/dbraw/zinc/34/64/92/1130346492.db2.gz NYECTKPQYQAOSI-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN Cc1nc(CCN2CC[C@H]2c2cccc(F)c2)cs1 ZINC000678079264 1130349147 /nfs/dbraw/zinc/34/91/47/1130349147.db2.gz SUACWECZWOVQLE-HNNXBMFYSA-N 0 1 276.380 3.580 20 0 CHADMN C[C@H]1c2cccn2CCN1Cc1ccccc1C1CC1 ZINC000678121637 1130351370 /nfs/dbraw/zinc/35/13/70/1130351370.db2.gz YKHSDSWBLXKLOY-AWEZNQCLSA-N 0 1 266.388 3.942 20 0 CHADMN CN(Cc1nn(C)c2ccccc12)[C@@H]1CCc2ccccc21 ZINC000678132110 1130355133 /nfs/dbraw/zinc/35/51/33/1130355133.db2.gz YNDMUTMHGHDVKH-GOSISDBHSA-N 0 1 291.398 3.693 20 0 CHADMN CCn1cc(CN(Cc2ccc(Cl)cc2)C(C)C)cn1 ZINC000678141956 1130360351 /nfs/dbraw/zinc/36/03/51/1130360351.db2.gz XCAYKODBMOXPSY-UHFFFAOYSA-N 0 1 291.826 3.967 20 0 CHADMN C[C@H]1CC[C@H](N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC001170151242 1130360478 /nfs/dbraw/zinc/36/04/78/1130360478.db2.gz GFJPABGVNMAFLE-GWCFXTLKSA-N 0 1 284.325 3.647 20 0 CHADMN CC(C)N(Cc1cn[nH]c1)Cc1cccc(C(F)(F)F)c1 ZINC000678154769 1130361396 /nfs/dbraw/zinc/36/13/96/1130361396.db2.gz YIAIKSVZSKUQGN-UHFFFAOYSA-N 0 1 297.324 3.839 20 0 CHADMN CN(C)Cc1ccc(-c2cccc(-c3cc[nH]n3)c2)cc1F ZINC001240565159 1130362092 /nfs/dbraw/zinc/36/20/92/1130362092.db2.gz YETXUIBIDRKWGV-UHFFFAOYSA-N 0 1 295.361 3.944 20 0 CHADMN Fc1ccc(F)c(CN2CCC(c3cccnc3)CC2)c1 ZINC000678168364 1130362866 /nfs/dbraw/zinc/36/28/66/1130362866.db2.gz BLSPPEBATKTAKJ-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN CN(CCOC(C)(C)C)Cc1cccc(OC(C)(C)C)n1 ZINC000678161852 1130364285 /nfs/dbraw/zinc/36/42/85/1130364285.db2.gz NBNWEVIHBOTAHC-UHFFFAOYSA-N 0 1 294.439 3.506 20 0 CHADMN COc1ccc(CN2CCOc3ccccc3[C@@H]2C)cc1 ZINC000678197440 1130370902 /nfs/dbraw/zinc/37/09/02/1130370902.db2.gz YWCKBYDIDLEJDP-AWEZNQCLSA-N 0 1 283.371 3.651 20 0 CHADMN c1nc2cccc(-c3ccc(N4CCCC4)cc3)c2[nH]1 ZINC001240587953 1130374454 /nfs/dbraw/zinc/37/44/54/1130374454.db2.gz HHCMRMJHZAHTGD-UHFFFAOYSA-N 0 1 263.344 3.830 20 0 CHADMN O=C([O-])c1cc(Cl)cc(-c2[nH+]ccc3[nH]ccc32)c1 ZINC001243323176 1130378465 /nfs/dbraw/zinc/37/84/65/1130378465.db2.gz VNDLKCMLCIMQSJ-UHFFFAOYSA-N 0 1 272.691 3.582 20 0 CHADMN CCn1cc(CN2CCCC[C@@H]2c2ccccc2OC)cn1 ZINC000678241031 1130379292 /nfs/dbraw/zinc/37/92/92/1130379292.db2.gz OMKFTXIWLCTYDT-QGZVFWFLSA-N 0 1 299.418 3.639 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1ccc(OC)c(O)c1 ZINC000678267071 1130384497 /nfs/dbraw/zinc/38/44/97/1130384497.db2.gz LUNKYWOCSPPJAQ-KRWDZBQOSA-N 0 1 297.398 3.910 20 0 CHADMN c1n[nH]cc1CN1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000678277276 1130388455 /nfs/dbraw/zinc/38/84/55/1130388455.db2.gz WZJXQYJJLTYISZ-IBGZPJMESA-N 0 1 289.382 3.709 20 0 CHADMN CC(C)C1CCN(Cc2ncccc2C(F)(F)F)CC1 ZINC000678282103 1130392190 /nfs/dbraw/zinc/39/21/90/1130392190.db2.gz WHMVUHJZCSARHY-UHFFFAOYSA-N 0 1 286.341 3.968 20 0 CHADMN CCc1ccc([C@@H]2C[C@H](C)CCN2Cc2cn[nH]c2)o1 ZINC000678299479 1130394411 /nfs/dbraw/zinc/39/44/11/1130394411.db2.gz YXFZTVRCIGYIDT-DOMZBBRYSA-N 0 1 273.380 3.538 20 0 CHADMN Cc1cc(O)ccc1-c1cccc(CN(C)C)c1F ZINC001240644715 1130399246 /nfs/dbraw/zinc/39/92/46/1130399246.db2.gz DGZSLEKKTKDCPN-UHFFFAOYSA-N 0 1 259.324 3.568 20 0 CHADMN Cc1cc(C)c(C[N@H+](C)[C@@H]2CCc3ccccc32)[nH]1 ZINC001137333901 1130400585 /nfs/dbraw/zinc/40/05/85/1130400585.db2.gz YEZNCSWLFCJHOL-QGZVFWFLSA-N 0 1 254.377 3.751 20 0 CHADMN FC1(F)CN(Cc2[nH]nc3ccccc32)Cc2ccccc21 ZINC000678339392 1130401743 /nfs/dbraw/zinc/40/17/43/1130401743.db2.gz MUHFTOJDHUYGKY-UHFFFAOYSA-N 0 1 299.324 3.671 20 0 CHADMN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2c(C)n[nH]c2C(F)F)C1(C)C ZINC000678346444 1130406646 /nfs/dbraw/zinc/40/66/46/1130406646.db2.gz CZWRZDYOMUQDGS-ZJUUUORDSA-N 0 1 297.349 3.833 20 0 CHADMN COc1ccc(CN[C@H](C)c2cnccc2C)c(Cl)c1 ZINC000678362846 1130409522 /nfs/dbraw/zinc/40/95/22/1130409522.db2.gz QTTYSPKVUNSRJE-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CC(=O)Nc1cccc(CN[C@@H](C)c2ccc(C)nc2C)c1 ZINC000678412029 1130411846 /nfs/dbraw/zinc/41/18/46/1130411846.db2.gz RJSNYBDFJQYNSJ-ZDUSSCGKSA-N 0 1 297.402 3.508 20 0 CHADMN CCOc1ccccc1CN[C@H](C)c1ccc(C)nc1C ZINC000678413590 1130412479 /nfs/dbraw/zinc/41/24/79/1130412479.db2.gz KLBQKDVJIKDKNA-CQSZACIVSA-N 0 1 284.403 3.948 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@@H](C)c1ccc(C)nc1C ZINC000678426507 1130415081 /nfs/dbraw/zinc/41/50/81/1130415081.db2.gz GZKKMBSYZFEGRS-RYUDHWBXSA-N 0 1 273.380 3.715 20 0 CHADMN COc1ccc2c(c1)OCC[C@@H]2N[C@H](C)c1cnccc1C ZINC000678545843 1130426687 /nfs/dbraw/zinc/42/66/87/1130426687.db2.gz QWOKLMHBHBJBRH-DYVFJYSZSA-N 0 1 298.386 3.573 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)N[C@@H]3CC[C@H]3C)n2)cc1 ZINC000792179529 1130435475 /nfs/dbraw/zinc/43/54/75/1130435475.db2.gz HNMORXBMRUFNAQ-TYNCELHUSA-N 0 1 285.391 3.748 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2CN(C)Cc3ccccc32)c(C)n1 ZINC000678605981 1130439239 /nfs/dbraw/zinc/43/92/39/1130439239.db2.gz BXLPCDPNAMINBD-KXBFYZLASA-N 0 1 295.430 3.536 20 0 CHADMN Cc1ncccc1-c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC001240724234 1130440168 /nfs/dbraw/zinc/44/01/68/1130440168.db2.gz SXBQIUXFSITCKI-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1c(F)ccc(F)c1OC ZINC001240725522 1130440241 /nfs/dbraw/zinc/44/02/41/1130440241.db2.gz HSNWBTJSGRLWMN-UHFFFAOYSA-N 0 1 290.269 3.525 20 0 CHADMN COc1cc(F)cc(CN[C@H](C)c2ccc(C)nc2C)c1 ZINC000678611732 1130441689 /nfs/dbraw/zinc/44/16/89/1130441689.db2.gz KANNWOKYAOVZFA-GFCCVEGCSA-N 0 1 288.366 3.697 20 0 CHADMN Fc1cccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1F ZINC000678638684 1130443344 /nfs/dbraw/zinc/44/33/44/1130443344.db2.gz MJIBZEDMSDBIKY-KBPBESRZSA-N 0 1 295.373 3.603 20 0 CHADMN Fc1cccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c1F ZINC000678638684 1130443348 /nfs/dbraw/zinc/44/33/48/1130443348.db2.gz MJIBZEDMSDBIKY-KBPBESRZSA-N 0 1 295.373 3.603 20 0 CHADMN CSc1cc(C)ccc1-c1cncc2nc[nH]c21 ZINC001243386901 1130444888 /nfs/dbraw/zinc/44/48/88/1130444888.db2.gz QQYHKZCPKCOJCJ-UHFFFAOYSA-N 0 1 255.346 3.655 20 0 CHADMN CC(C)Oc1ncccc1CN[C@H](c1cccnc1)C(C)C ZINC000678685943 1130445786 /nfs/dbraw/zinc/44/57/86/1130445786.db2.gz SOGZWGRDHIMPSU-KRWDZBQOSA-N 0 1 299.418 3.751 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1NCc1ncccc1F ZINC000678773874 1130453482 /nfs/dbraw/zinc/45/34/82/1130453482.db2.gz BVWJDCLTOKXGHE-PXAZEXFGSA-N 0 1 270.351 3.634 20 0 CHADMN Cc1cc(CN[C@@H](c2cccc(C)c2)C(C)(C)C)nn1C ZINC000678791686 1130456411 /nfs/dbraw/zinc/45/64/11/1130456411.db2.gz XFSGJFUQLIDKOP-KRWDZBQOSA-N 0 1 285.435 3.914 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cc(F)cc2cccnc21 ZINC000678804462 1130456968 /nfs/dbraw/zinc/45/69/68/1130456968.db2.gz OIVHVXCVOJTABF-JTQLQIEISA-N 0 1 299.349 3.830 20 0 CHADMN CCc1nn(C)cc1CN([C@@H](C)c1ccccc1)C1CC1 ZINC000678813969 1130458953 /nfs/dbraw/zinc/45/89/53/1130458953.db2.gz TYOYRSXZXARICJ-AWEZNQCLSA-N 0 1 283.419 3.708 20 0 CHADMN C[C@@H](CN(C)Cc1nc2c(s1)CCC2)c1ccccc1 ZINC000678824962 1130461919 /nfs/dbraw/zinc/46/19/19/1130461919.db2.gz FVIJUDNSLJCVBN-ZDUSSCGKSA-N 0 1 286.444 3.867 20 0 CHADMN CC(C)CO[C@@H]1C[C@H](NCc2cc(C(C)C)no2)C1(C)C ZINC000678926581 1130471728 /nfs/dbraw/zinc/47/17/28/1130471728.db2.gz CWPHPUWBTBELOP-JKSUJKDBSA-N 0 1 294.439 3.727 20 0 CHADMN CCCCO[C@@H]1C[C@H](NCc2cc(C(C)C)no2)C1(C)C ZINC000678928603 1130473517 /nfs/dbraw/zinc/47/35/17/1130473517.db2.gz QWKPCTASYMLRGU-JKSUJKDBSA-N 0 1 294.439 3.871 20 0 CHADMN Cc1nc2ccc(-c3cncc(C(F)(F)F)c3)cc2[nH]1 ZINC001240791721 1130474047 /nfs/dbraw/zinc/47/40/47/1130474047.db2.gz DTMWNNPISCGQAG-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN CC(C)Oc1ccc(-c2cc3nc[nH]c3cc2F)cn1 ZINC001240810054 1130483126 /nfs/dbraw/zinc/48/31/26/1130483126.db2.gz KNMUYBJNRKOEIS-UHFFFAOYSA-N 0 1 271.295 3.551 20 0 CHADMN Cc1ncccc1CN[C@H]1CCCOc2cc(F)ccc21 ZINC000679028103 1130485002 /nfs/dbraw/zinc/48/50/02/1130485002.db2.gz ITYOQQVCKLEWSX-INIZCTEOSA-N 0 1 286.350 3.533 20 0 CHADMN COc1ccc(C(F)(F)F)cc1-c1cccc2[nH]nnc21 ZINC001240825777 1130487510 /nfs/dbraw/zinc/48/75/10/1130487510.db2.gz FEBFGDDWSHWEQW-UHFFFAOYSA-N 0 1 293.248 3.652 20 0 CHADMN C[C@@H]1CCC[C@@H](C)C1Nc1cnn(-c2ccncc2)c1 ZINC000679128073 1130495860 /nfs/dbraw/zinc/49/58/60/1130495860.db2.gz RPMJVGRUQGCMNR-CHWSQXEVSA-N 0 1 270.380 3.504 20 0 CHADMN c1cc2c(s1)CCC[C@H]2Nc1cnn(-c2ccncc2)c1 ZINC000679127747 1130495879 /nfs/dbraw/zinc/49/58/79/1130495879.db2.gz QBMFCNCIWIGMJH-OAHLLOKOSA-N 0 1 296.399 3.818 20 0 CHADMN COc1ccc(-c2cc3nc[nH]c3cc2F)cc1C ZINC001240865883 1130497798 /nfs/dbraw/zinc/49/77/98/1130497798.db2.gz XJHAGMVBXGMOBD-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN Cc1cc(CN2CC[C@H](C)[C@H](F)C2)c2ccccc2n1 ZINC000679227064 1130505280 /nfs/dbraw/zinc/50/52/80/1130505280.db2.gz WVYSVOPFYHISCI-BLLLJJGKSA-N 0 1 272.367 3.723 20 0 CHADMN Cc1ccc(F)cc1-c1ccc(CCN2CCOCC2)cc1 ZINC001240922557 1130518112 /nfs/dbraw/zinc/51/81/12/1130518112.db2.gz MEYHAONJMDMIQA-UHFFFAOYSA-N 0 1 299.389 3.676 20 0 CHADMN Cc1cnc(-c2cccc(N[C@H](C)c3cn[nH]c3C)c2)o1 ZINC000679363823 1130522172 /nfs/dbraw/zinc/52/21/72/1130522172.db2.gz QXZDSTLFXAELDW-LLVKDONJSA-N 0 1 282.347 3.855 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NC1(c2ccc(Cl)cc2)CC1 ZINC000679361751 1130522346 /nfs/dbraw/zinc/52/23/46/1130522346.db2.gz GGLJCQAGNRRGLC-SNVBAGLBSA-N 0 1 275.783 3.711 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NC1(c2ccc(F)cc2)CCC1 ZINC000679361466 1130522403 /nfs/dbraw/zinc/52/24/03/1130522403.db2.gz NQBSKDOTMQELEM-NSHDSACASA-N 0 1 273.355 3.587 20 0 CHADMN CC(C)(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)[nH]1 ZINC001137372272 1130523779 /nfs/dbraw/zinc/52/37/79/1130523779.db2.gz OXMSCIJRIHQGQD-TXEJJXNPSA-N 0 1 282.378 3.789 20 0 CHADMN CC[C@H](N[C@H](CCc1ccccc1)C(F)F)[C@@H]1CCOC1 ZINC000679386836 1130524572 /nfs/dbraw/zinc/52/45/72/1130524572.db2.gz PBCHJINIZPPHKN-OWCLPIDISA-N 0 1 297.389 3.658 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1cccc2ncccc21 ZINC001240938947 1130524935 /nfs/dbraw/zinc/52/49/35/1130524935.db2.gz IRHVKYNHVLYLQT-UHFFFAOYSA-N 0 1 263.275 3.917 20 0 CHADMN CO[C@@H]1CCC[C@H](N[C@@H](CCc2ccccc2)C(F)F)C1 ZINC000679389420 1130525049 /nfs/dbraw/zinc/52/50/49/1130525049.db2.gz WLZZJYOYISCLOM-XHSDSOJGSA-N 0 1 297.389 3.800 20 0 CHADMN FC(F)[C@H](CCc1ccccc1)NC1CCCC1 ZINC000679392452 1130525831 /nfs/dbraw/zinc/52/58/31/1130525831.db2.gz LAXGABFWSZUGIL-AWEZNQCLSA-N 0 1 253.336 3.785 20 0 CHADMN COCc1ccc(-c2ccc3nc[nH]c3c2C)cc1 ZINC001240952868 1130532148 /nfs/dbraw/zinc/53/21/48/1130532148.db2.gz PRDYKBMXALPPSM-UHFFFAOYSA-N 0 1 252.317 3.685 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccc(F)nc1)CCC2 ZINC000793303053 1130538333 /nfs/dbraw/zinc/53/83/33/1130538333.db2.gz BRXWARIYFDTYLH-OAHLLOKOSA-N 0 1 274.314 3.527 20 0 CHADMN C[C@H]1CC[C@@H](C(F)(F)F)CN1CCC(=O)c1ccccc1 ZINC000679544131 1130538617 /nfs/dbraw/zinc/53/86/17/1130538617.db2.gz GOVDDQHLXVHJIQ-GXTWGEPZSA-N 0 1 299.336 3.922 20 0 CHADMN COCC[C@@H](N[C@H](C)c1ccc(C)nc1C)c1ccco1 ZINC000679575365 1130540566 /nfs/dbraw/zinc/54/05/66/1130540566.db2.gz OQHRUMFANKTPIW-GDBMZVCRSA-N 0 1 288.391 3.720 20 0 CHADMN Cc1c[nH]c2ncc(-c3cc(F)c4c(c3)CN(C)CC4)cc12 ZINC001240968870 1130542687 /nfs/dbraw/zinc/54/26/87/1130542687.db2.gz HSDBIESUQUGTGO-UHFFFAOYSA-N 0 1 295.361 3.665 20 0 CHADMN Cc1nc2ccc(-c3ccc4occc(=O)c4c3)cc2[nH]1 ZINC001240968772 1130542793 /nfs/dbraw/zinc/54/27/93/1130542793.db2.gz WCGMECUINWBMNY-UHFFFAOYSA-N 0 1 276.295 3.645 20 0 CHADMN COc1ccc2oc(CN3CCC(F)(F)CC3)cc2c1 ZINC000793359385 1130545237 /nfs/dbraw/zinc/54/52/37/1130545237.db2.gz LNILQLVZGVPQPT-UHFFFAOYSA-N 0 1 281.302 3.673 20 0 CHADMN CCCOc1ccc(CN2CCC[C@@H](OC(F)F)C2)cc1 ZINC000679678686 1130551120 /nfs/dbraw/zinc/55/11/20/1130551120.db2.gz ODSOFIKHWOGDSJ-OAHLLOKOSA-N 0 1 299.361 3.679 20 0 CHADMN C[C@@H](c1cccc(F)c1)N1CCC[C@H](OC(F)F)C1 ZINC000679678152 1130551314 /nfs/dbraw/zinc/55/13/14/1130551314.db2.gz KCIHWJYDQIOXLS-GWCFXTLKSA-N 0 1 273.298 3.590 20 0 CHADMN Cc1nc2cccc(-c3ccc(F)c(F)c3F)c2[nH]1 ZINC001240990504 1130555117 /nfs/dbraw/zinc/55/51/17/1130555117.db2.gz CACYOSNIBAQLRC-UHFFFAOYSA-N 0 1 262.234 3.956 20 0 CHADMN Cc1cc([C@@H]2CCCN2C[C@H]2CCC(F)(F)C2)no1 ZINC000827331521 1130559061 /nfs/dbraw/zinc/55/90/61/1130559061.db2.gz ACLXCBCGWVIDKT-AAEUAGOBSA-N 0 1 270.323 3.555 20 0 CHADMN CCOC(=[NH2+])c1ccc(-c2cc(C(=O)[O-])ccc2C)cc1 ZINC001241003551 1130560742 /nfs/dbraw/zinc/56/07/42/1130560742.db2.gz TXGRFCYGZMPZLX-UHFFFAOYSA-N 0 1 283.327 3.722 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2cc(C)sc2C)n(C)n1 ZINC000793523545 1130561765 /nfs/dbraw/zinc/56/17/65/1130561765.db2.gz IWWYRMMVSSPVRD-NWDGAFQWSA-N 0 1 277.437 3.819 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H]3CC[C@H](C)[C@H](C)C3)cc2[nH]1 ZINC001137393362 1130562700 /nfs/dbraw/zinc/56/27/00/1130562700.db2.gz ZPCKRKPTYDHUAQ-DMDPSCGWSA-N 0 1 285.391 3.882 20 0 CHADMN COc1ccccc1CN(C)C[C@@]1(C)CC1(Cl)Cl ZINC000827353369 1130566499 /nfs/dbraw/zinc/56/64/99/1130566499.db2.gz BVSKZWLVHFTPOB-CYBMUJFWSA-N 0 1 288.218 3.711 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cc(C)c(OC)c(C)c1 ZINC001241016196 1130568215 /nfs/dbraw/zinc/56/82/15/1130568215.db2.gz DMZWRFUWUPALJB-UHFFFAOYSA-N 0 1 282.343 3.864 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(C(F)F)cc2)n(C)n1 ZINC000793554465 1130569982 /nfs/dbraw/zinc/56/99/82/1130569982.db2.gz PZZQFZSZYPFDNW-NSHDSACASA-N 0 1 279.334 3.517 20 0 CHADMN CC(=O)CCN(Cc1ccc(F)cc1F)C1CCCC1 ZINC000747684238 1130592092 /nfs/dbraw/zinc/59/20/92/1130592092.db2.gz YHCGOSKWOCVWLB-UHFFFAOYSA-N 0 1 281.346 3.689 20 0 CHADMN CN(Cc1cccs1)Cc1c[nH]c(=O)c2ccccc12 ZINC001233999577 1130596656 /nfs/dbraw/zinc/59/66/56/1130596656.db2.gz PXBIQWCHOQNJHB-UHFFFAOYSA-N 0 1 284.384 3.634 20 0 CHADMN CC[C@@H]1CCCCN1Cc1c(Cl)nccc1N(C)C ZINC001234141897 1130611258 /nfs/dbraw/zinc/61/12/58/1130611258.db2.gz FAEKHDXCQRXAPO-GFCCVEGCSA-N 0 1 281.831 3.566 20 0 CHADMN Clc1nccc(CNCCNc2ccccc2)c1Cl ZINC000811482722 1130612029 /nfs/dbraw/zinc/61/20/29/1130612029.db2.gz QAQIXPIRZGRWIX-UHFFFAOYSA-N 0 1 296.201 3.590 20 0 CHADMN Cc1cc(CN[C@H](c2cccnc2)C2CC2)cnc1Cl ZINC000758632476 1130620160 /nfs/dbraw/zinc/62/01/60/1130620160.db2.gz MWJZLIXOHLRCRW-HNNXBMFYSA-N 0 1 287.794 3.679 20 0 CHADMN Cc1cccc(-c2nnc([C@H](C)N3CCC4(CCC4)C3)o2)c1 ZINC000758737723 1130622762 /nfs/dbraw/zinc/62/27/62/1130622762.db2.gz GPDRYQNKJCJMDC-AWEZNQCLSA-N 0 1 297.402 3.982 20 0 CHADMN Cc1ccc(CN(C)C[C@@H](O)c2ccc(Cl)c(F)c2)o1 ZINC000759042902 1130633596 /nfs/dbraw/zinc/63/35/96/1130633596.db2.gz AFWYSLYEAAQSOO-OAHLLOKOSA-N 0 1 297.757 3.546 20 0 CHADMN O[C@H](CN1CC2(C1)CCCCC2)c1ccc(Cl)c(F)c1 ZINC000759062205 1130634026 /nfs/dbraw/zinc/63/40/26/1130634026.db2.gz BSGLGCKFBQMPJF-OAHLLOKOSA-N 0 1 297.801 3.779 20 0 CHADMN C[C@H](C[N@H+]1CCc2ccccc2[C@H]1C)C(F)(F)F ZINC000441157206 1130635780 /nfs/dbraw/zinc/63/57/80/1130635780.db2.gz OYMXADIKTJHHKE-GHMZBOCLSA-N 0 1 257.299 3.804 20 0 CHADMN CC(C)=CCC[C@H](C)CC(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC001277850781 1130640628 /nfs/dbraw/zinc/64/06/28/1130640628.db2.gz YEZIYRVLEXWKTI-HZMVEIRTSA-N 0 1 294.483 3.699 20 0 CHADMN CCC(CC)CC(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000759238558 1130645781 /nfs/dbraw/zinc/64/57/81/1130645781.db2.gz IQBKILJEBWUVRF-UHFFFAOYSA-N 0 1 280.387 3.652 20 0 CHADMN CC(C)N(CCF)Cc1cccc(C(F)(F)F)c1 ZINC000759330096 1130651563 /nfs/dbraw/zinc/65/15/63/1130651563.db2.gz CLYOQYUBGBBWGN-UHFFFAOYSA-N 0 1 263.278 3.885 20 0 CHADMN CC(C)C[C@H]1CCCN(Cc2ccc(Cl)nc2)C1 ZINC000759390407 1130654951 /nfs/dbraw/zinc/65/49/51/1130654951.db2.gz CZYQDJNCDPQIFR-CYBMUJFWSA-N 0 1 266.816 3.993 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cccc(Cl)n2)c1 ZINC000759642841 1130666112 /nfs/dbraw/zinc/66/61/12/1130666112.db2.gz GQHIAXMWEPEHMK-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1cc(C)c(O)c(NC(=O)c2c(O)cccc2Cl)c1 ZINC001170663250 1130669562 /nfs/dbraw/zinc/66/95/62/1130669562.db2.gz VIKZFAPNGZVADR-UHFFFAOYSA-N 0 1 291.734 3.620 20 0 CHADMN ClC1(Cl)C[C@@H]1CNC1(c2nccs2)CCCC1 ZINC000749366119 1130694073 /nfs/dbraw/zinc/69/40/73/1130694073.db2.gz FXDBFRDXQQRJAD-SECBINFHSA-N 0 1 291.247 3.696 20 0 CHADMN CCCCC[C@@](C)(CC)C(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000780973233 1130697427 /nfs/dbraw/zinc/69/74/27/1130697427.db2.gz XWSMOCANRKSPJF-MLGOLLRUSA-N 0 1 294.443 3.541 20 0 CHADMN Fc1ccccc1-c1cc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c[nH]1 ZINC001235032692 1130703793 /nfs/dbraw/zinc/70/37/93/1130703793.db2.gz QLDIFCKNGQWGOG-DUVNUKRYSA-N 0 1 288.341 3.611 20 0 CHADMN C[N@@H+](Cc1ccoc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812781422 1130713233 /nfs/dbraw/zinc/71/32/33/1130713233.db2.gz TVYUKIVKLHWBQN-NEPJUHHUSA-N 0 1 261.287 3.833 20 0 CHADMN CN(Cc1ccoc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812781422 1130713235 /nfs/dbraw/zinc/71/32/35/1130713235.db2.gz TVYUKIVKLHWBQN-NEPJUHHUSA-N 0 1 261.287 3.833 20 0 CHADMN Clc1ccnc(Cl)c1-c1cccc2nc[nH]c21 ZINC001244938241 1130721824 /nfs/dbraw/zinc/72/18/24/1130721824.db2.gz JTYIEAAJQYINNV-UHFFFAOYSA-N 0 1 264.115 3.932 20 0 CHADMN Cc1cc(F)c(CN2CC[C@@H](C)C[C@H]2C)c(F)c1 ZINC001235196377 1130723163 /nfs/dbraw/zinc/72/31/63/1130723163.db2.gz BUIDENKKFBESEJ-ZYHUDNBSSA-N 0 1 253.336 3.894 20 0 CHADMN Fc1cc(F)c2c(c1)CC[C@@H](N1CCCC[C@@H](F)C1)C2 ZINC001170690151 1130724291 /nfs/dbraw/zinc/72/42/91/1130724291.db2.gz PELMIXCHMBNAKD-TZMCWYRMSA-N 0 1 283.337 3.646 20 0 CHADMN COc1ncc(CN[C@H]2CC[C@H](C)c3ccccc32)s1 ZINC000638774648 1130724645 /nfs/dbraw/zinc/72/46/45/1130724645.db2.gz DDDJZNFVHGENOU-NHYWBVRUSA-N 0 1 288.416 3.880 20 0 CHADMN CCc1cccc(CN2Cc3ccccc3[C@@H](C)C2)n1 ZINC001235250464 1130728155 /nfs/dbraw/zinc/72/81/55/1130728155.db2.gz JOQUYCZMSKXUQF-AWEZNQCLSA-N 0 1 266.388 3.763 20 0 CHADMN CCc1cccc(CN(C)C/C=C/c2ccccc2)n1 ZINC001235265577 1130730788 /nfs/dbraw/zinc/73/07/88/1130730788.db2.gz WSLVZVZYFNWKKE-DHZHZOJOSA-N 0 1 266.388 3.789 20 0 CHADMN CC(C)[C@H](NCc1ccnn1C)c1ccc(Cl)cc1F ZINC000781643223 1130732748 /nfs/dbraw/zinc/73/27/48/1130732748.db2.gz YDGVLJOFTZUDTN-HNNXBMFYSA-N 0 1 295.789 3.700 20 0 CHADMN Cc1cnc(F)c(CN2CCC(C(C)(C)C)CC2)c1 ZINC001235330834 1130734571 /nfs/dbraw/zinc/73/45/71/1130734571.db2.gz CGTRCPPQNVGIEH-UHFFFAOYSA-N 0 1 264.388 3.787 20 0 CHADMN C[C@@H](CNC(=O)c1n[nH]c2ccc(Cl)cc21)C(C)(C)C ZINC001133597892 1130738139 /nfs/dbraw/zinc/73/81/39/1130738139.db2.gz CDPHCKJXPYUNDM-VIFPVBQESA-N 0 1 293.798 3.628 20 0 CHADMN COc1cc(C[N@H+]2CCCC[C@@H](C)C2)cc(F)c1F ZINC001235433951 1130743588 /nfs/dbraw/zinc/74/35/88/1130743588.db2.gz CXZGZBPGRJRINU-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(F)c(F)c(OC)c1 ZINC001235451225 1130745182 /nfs/dbraw/zinc/74/51/82/1130745182.db2.gz NVTZMDFDPGMYSH-GFCCVEGCSA-N 0 1 269.335 3.738 20 0 CHADMN FC(F)[C@@H]1CCC[N@@H+](Cc2c[nH]c3cnc(Cl)cc23)C1 ZINC001235518862 1130751539 /nfs/dbraw/zinc/75/15/39/1130751539.db2.gz CXXHATZABUXHSM-SECBINFHSA-N 0 1 299.752 3.693 20 0 CHADMN FC(F)[C@@H]1CCCN(Cc2c[nH]c3cnc(Cl)cc23)C1 ZINC001235518862 1130751545 /nfs/dbraw/zinc/75/15/45/1130751545.db2.gz CXXHATZABUXHSM-SECBINFHSA-N 0 1 299.752 3.693 20 0 CHADMN Cc1ncn(C)c1CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC001235554010 1130753755 /nfs/dbraw/zinc/75/37/55/1130753755.db2.gz WXVGFOCAZNXSSD-GFCCVEGCSA-N 0 1 277.799 3.575 20 0 CHADMN Cc1cc(Cl)cc(CN2CC[C@H]3CCCO[C@H]3C2)c1 ZINC001235535018 1130754238 /nfs/dbraw/zinc/75/42/38/1130754238.db2.gz OPHPDATZUIKOSD-ZBFHGGJFSA-N 0 1 279.811 3.649 20 0 CHADMN Cc1ccnc(CN2CCC3(CCCC3)C2)c1Cl ZINC001235586815 1130755646 /nfs/dbraw/zinc/75/56/46/1130755646.db2.gz WWSVTVVJJJYVHC-UHFFFAOYSA-N 0 1 264.800 3.810 20 0 CHADMN Cc1ccnc(CN2CCC[C@@H](C)[C@H]2C)c1Cl ZINC001235580620 1130755859 /nfs/dbraw/zinc/75/58/59/1130755859.db2.gz NRGGWXBCFSVINY-ZYHUDNBSSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1ccnc(CN2CCC(C)(C)CC2)c1Cl ZINC001235579345 1130756196 /nfs/dbraw/zinc/75/61/96/1130756196.db2.gz HOOGBCWYPIDEGF-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2cccn2C(=O)OC(C)(C)C)C1 ZINC001235643851 1130760186 /nfs/dbraw/zinc/76/01/86/1130760186.db2.gz WLYFZTXRPUFJDP-ZIAGYGMSSA-N 0 1 292.423 3.749 20 0 CHADMN C[C@@H]1CN(Cc2cccn2C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001235638091 1130760553 /nfs/dbraw/zinc/76/05/53/1130760553.db2.gz VMQLPXMWYBGCAQ-ZDUSSCGKSA-N 0 1 290.407 3.646 20 0 CHADMN CC[C@@H]1CCCN(Cc2cccn2C(=O)OC(C)(C)C)C1 ZINC001235640126 1130760782 /nfs/dbraw/zinc/76/07/82/1130760782.db2.gz ANSYLUOJXLUVGH-CQSZACIVSA-N 0 1 292.423 3.893 20 0 CHADMN C[C@H](C1CC1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000782193892 1130761098 /nfs/dbraw/zinc/76/10/98/1130761098.db2.gz PIWOESWPLHRFHI-ABAIWWIYSA-N 0 1 299.336 3.877 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1cnc(OC)c(Cl)c1 ZINC001235701354 1130769243 /nfs/dbraw/zinc/76/92/43/1130769243.db2.gz NUAJWUYFSNCZKR-CYBMUJFWSA-N 0 1 282.815 3.898 20 0 CHADMN Nc1ccc(CN2CCC[C@H]2c2ccccc2F)cc1F ZINC001235718772 1130773993 /nfs/dbraw/zinc/77/39/93/1130773993.db2.gz NKWCGAVMSYIARV-KRWDZBQOSA-N 0 1 288.341 3.884 20 0 CHADMN CO[C@@H](C)C[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000782472299 1130779523 /nfs/dbraw/zinc/77/95/23/1130779523.db2.gz OBBQJEOGXNVHLK-FZMZJTMJSA-N 0 1 287.325 3.877 20 0 CHADMN CCOc1cc(CN2CCC(C)(F)CC2)ccc1F ZINC001235797139 1130779800 /nfs/dbraw/zinc/77/98/00/1130779800.db2.gz ZYGSGVBLIKHHFK-UHFFFAOYSA-N 0 1 269.335 3.548 20 0 CHADMN CCOc1cc(C[N@H+]2CCC[C@@H](CC)C2)ccc1F ZINC001235803722 1130781373 /nfs/dbraw/zinc/78/13/73/1130781373.db2.gz SUFQUECTOGQRMJ-CYBMUJFWSA-N 0 1 265.372 3.846 20 0 CHADMN Cc1nc(F)ccc1CN1CC=C(c2ccccc2)CC1 ZINC001235817209 1130782110 /nfs/dbraw/zinc/78/21/10/1130782110.db2.gz DDFGVCVQYNRDIA-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN Cc1ccc(F)cc1CN1CC[C@@H](C(F)(F)F)C1 ZINC000782523436 1130782048 /nfs/dbraw/zinc/78/20/48/1130782048.db2.gz WBCFNFXCSGFELN-LLVKDONJSA-N 0 1 261.262 3.518 20 0 CHADMN Cc1nnsc1CNCc1ccccc1-c1ccccc1 ZINC000813790529 1130784285 /nfs/dbraw/zinc/78/42/85/1130784285.db2.gz VRRMGJVFNFAHTL-UHFFFAOYSA-N 0 1 295.411 3.803 20 0 CHADMN CCSc1cccc(CNCc2ccc(F)nc2)c1 ZINC000813789965 1130784968 /nfs/dbraw/zinc/78/49/68/1130784968.db2.gz BNLAFFZPDAAHMO-UHFFFAOYSA-N 0 1 276.380 3.623 20 0 CHADMN Clc1ncccc1CN1CCCC2(CCCC2)C1 ZINC000782637239 1130785660 /nfs/dbraw/zinc/78/56/60/1130785660.db2.gz OJGLQDMCEMJVGL-UHFFFAOYSA-N 0 1 264.800 3.891 20 0 CHADMN Cc1nc2cc(CN(C)Cc3ccncc3)ccc2s1 ZINC001235849750 1130786394 /nfs/dbraw/zinc/78/63/94/1130786394.db2.gz FQVLKUQQDALHEH-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN CCOc1cc(-c2cccc(C3=NCCC3)c2)c(F)cn1 ZINC001235874369 1130790579 /nfs/dbraw/zinc/79/05/79/1130790579.db2.gz NMHRGFHLLLJWOI-UHFFFAOYSA-N 0 1 284.334 3.869 20 0 CHADMN c1nnc([C@H](Nc2cc(C3CC3)ccn2)C2CCCCC2)[nH]1 ZINC000813873395 1130793280 /nfs/dbraw/zinc/79/32/80/1130793280.db2.gz XXVHAGSYFVJJDY-MRXNPFEDSA-N 0 1 297.406 3.811 20 0 CHADMN CC[C@H](C(=O)O[C@@H](c1ccccc1)C(F)F)N(CC)CC ZINC000813974020 1130808882 /nfs/dbraw/zinc/80/88/82/1130808882.db2.gz MVHDRLVULIRGQC-KGLIPLIRSA-N 0 1 299.361 3.656 20 0 CHADMN CC1(C)[C@@H]2C[C@H](NC3(c4cccc(Cl)c4)COC3)C[C@@H]21 ZINC001170719571 1130810771 /nfs/dbraw/zinc/81/07/71/1130810771.db2.gz DZIQWJZLGSICPP-QDMKHBRRSA-N 0 1 291.822 3.590 20 0 CHADMN Clc1ccc(-c2ccc3[nH]nnc3c2)c(Cl)c1 ZINC001235961748 1130818328 /nfs/dbraw/zinc/81/83/28/1130818328.db2.gz CNPKUWKHBYGDTR-UHFFFAOYSA-N 0 1 264.115 3.932 20 0 CHADMN Clc1ccc(-c2ccc3nn[nH]c3c2)c(Cl)c1 ZINC001235961748 1130818335 /nfs/dbraw/zinc/81/83/35/1130818335.db2.gz CNPKUWKHBYGDTR-UHFFFAOYSA-N 0 1 264.115 3.932 20 0 CHADMN CSc1ccnc(-c2c(F)cc(F)c(O)c2F)c1F ZINC001235988998 1130822737 /nfs/dbraw/zinc/82/27/37/1130822737.db2.gz CVBDJHHRJMUZDV-UHFFFAOYSA-N 0 1 289.253 3.733 20 0 CHADMN Oc1c(F)cc(F)c(-c2cccc3c2CCC3)c1F ZINC001235995828 1130824549 /nfs/dbraw/zinc/82/45/49/1130824549.db2.gz QHMCNWGPTFKHQD-UHFFFAOYSA-N 0 1 264.246 3.965 20 0 CHADMN Cc1cc(-c2c(F)cc(F)c(O)c2F)nc(C(C)C)n1 ZINC001235989871 1130824883 /nfs/dbraw/zinc/82/48/83/1130824883.db2.gz LAGIQACPBMCEBU-UHFFFAOYSA-N 0 1 282.265 3.698 20 0 CHADMN COC(=O)c1ccc(C)cc1-c1c(F)cc(F)c(O)c1F ZINC001235993245 1130824929 /nfs/dbraw/zinc/82/49/29/1130824929.db2.gz FVRYLVAGTDPIQK-UHFFFAOYSA-N 0 1 296.244 3.572 20 0 CHADMN COCc1ccc(F)c(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235995192 1130825649 /nfs/dbraw/zinc/82/56/49/1130825649.db2.gz BBVOWHQFVUSPFP-UHFFFAOYSA-N 0 1 286.224 3.762 20 0 CHADMN COc1cc(C)cc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235995448 1130825966 /nfs/dbraw/zinc/82/59/66/1130825966.db2.gz OEADMMPDGMVWKJ-UHFFFAOYSA-N 0 1 268.234 3.794 20 0 CHADMN COc1ccc(-c2c(F)cc(F)c(O)c2F)c(C)c1OC ZINC001235996147 1130826034 /nfs/dbraw/zinc/82/60/34/1130826034.db2.gz JXBPLFHRJNLMDW-UHFFFAOYSA-N 0 1 298.260 3.802 20 0 CHADMN Cc1ccc([C@H](C)Nc2ccnc3[nH]cnc32)c(C)c1 ZINC001170727122 1130826122 /nfs/dbraw/zinc/82/61/22/1130826122.db2.gz ZPFBDIFORQLQNE-LBPRGKRZSA-N 0 1 266.348 3.748 20 0 CHADMN Cc1cc2cc(-c3c(F)cc(F)c(O)c3F)cnc2[nH]1 ZINC001235998505 1130826457 /nfs/dbraw/zinc/82/64/57/1130826457.db2.gz OFGORVPMNOHNNG-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN Cc1nc2c(cccc2-c2c(F)cc(F)c(O)c2F)[nH]1 ZINC001235997544 1130826930 /nfs/dbraw/zinc/82/69/30/1130826930.db2.gz QFQGWYYKUUVPAL-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN COc1c(F)cc(C)cc1-c1c(F)cc(F)c(O)c1F ZINC001235999471 1130827003 /nfs/dbraw/zinc/82/70/03/1130827003.db2.gz HCTWKDMTGQKHFL-UHFFFAOYSA-N 0 1 286.224 3.933 20 0 CHADMN Cc1nc2cc(-c3c(F)cc(F)c(O)c3F)cnc2s1 ZINC001235998894 1130827681 /nfs/dbraw/zinc/82/76/81/1130827681.db2.gz RYTGMBUQZATAML-UHFFFAOYSA-N 0 1 296.273 3.790 20 0 CHADMN Cc1c2cc[nH]c2ncc1-c1c(F)cc(F)c(O)c1F ZINC001235996764 1130827840 /nfs/dbraw/zinc/82/78/40/1130827840.db2.gz XSFGNYNTFBKCAY-UHFFFAOYSA-N 0 1 278.233 3.613 20 0 CHADMN Cc1[nH]c2ncc(-c3c(F)cc(F)c(O)c3F)cc2c1C ZINC001236002610 1130830546 /nfs/dbraw/zinc/83/05/46/1130830546.db2.gz PWZPHHAPLYKKAM-UHFFFAOYSA-N 0 1 292.260 3.970 20 0 CHADMN c1nc2cnc(-c3ccc(-c4ccncc4)cc3)cc2[nH]1 ZINC001236034673 1130833131 /nfs/dbraw/zinc/83/31/31/1130833131.db2.gz YVPPNJQQKYPCOZ-UHFFFAOYSA-N 0 1 272.311 3.687 20 0 CHADMN c1nc(-c2ccccc2)nn1CN1CCCC2(CCCC2)C1 ZINC000783543259 1130836514 /nfs/dbraw/zinc/83/65/14/1130836514.db2.gz DUGLZXLBHURNAH-UHFFFAOYSA-N 0 1 296.418 3.559 20 0 CHADMN Cc1nc2cccc(-c3ccnn3Cc3ccccc3)c2[nH]1 ZINC001236048520 1130838288 /nfs/dbraw/zinc/83/82/88/1130838288.db2.gz HPKNYVXZWXEVGR-UHFFFAOYSA-N 0 1 288.354 3.783 20 0 CHADMN CCN(c1ccc(NCC[C@@H]2CCOC2)cc1)C(C)C ZINC000783577677 1130840222 /nfs/dbraw/zinc/84/02/22/1130840222.db2.gz YXKUUCQWYOTJLD-OAHLLOKOSA-N 0 1 276.424 3.760 20 0 CHADMN CC(C)[C@H]1N(C[C@@H](O)c2ccc(F)cc2Cl)CC1(C)C ZINC000814251838 1130857523 /nfs/dbraw/zinc/85/75/23/1130857523.db2.gz UGRBZDNELFWZHG-HUUCEWRRSA-N 0 1 299.817 3.879 20 0 CHADMN Fc1cccc(CNCc2cccc3ccccc32)n1 ZINC000747937057 1130868338 /nfs/dbraw/zinc/86/83/38/1130868338.db2.gz DAPHUALRNFOASN-UHFFFAOYSA-N 0 1 266.319 3.664 20 0 CHADMN CCCCCCc1csc(CN2CC[C@@H]2NC)c1 ZINC001236166603 1130877798 /nfs/dbraw/zinc/87/77/98/1130877798.db2.gz HYWSQBGAUCBIFN-OAHLLOKOSA-N 0 1 266.454 3.622 20 0 CHADMN CN[C@@H]1CCN1Cc1ccc(Oc2ccccc2)c(C)c1 ZINC001236167206 1130877901 /nfs/dbraw/zinc/87/79/01/1130877901.db2.gz MUIONHAYOCNDLN-SFHVURJKSA-N 0 1 282.387 3.539 20 0 CHADMN COc1cc(-c2cc3nc[nH]c3cc2OC)cc(C)c1F ZINC001236193571 1130884638 /nfs/dbraw/zinc/88/46/38/1130884638.db2.gz ZCAOYDBUKKLWTN-UHFFFAOYSA-N 0 1 286.306 3.695 20 0 CHADMN Cc1cccc(Cl)c1CN1CCc2ccc(N)cc2C1 ZINC001236230916 1130899382 /nfs/dbraw/zinc/89/93/82/1130899382.db2.gz DILDCLKJGYXHRD-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN CCSCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000814738741 1130906656 /nfs/dbraw/zinc/90/66/56/1130906656.db2.gz LJFXDLUZRDWKEN-CMDGGOBGSA-N 0 1 277.418 3.778 20 0 CHADMN FC(F)(F)[C@@H]1CC=C(c2ccc3[nH]nnc3c2)CC1 ZINC001236254044 1130907118 /nfs/dbraw/zinc/90/71/18/1130907118.db2.gz MJAKNZPSRAIPOL-SNVBAGLBSA-N 0 1 267.254 3.704 20 0 CHADMN FC(F)(F)[C@@H]1CC=C(c2ccc3nn[nH]c3c2)CC1 ZINC001236254044 1130907124 /nfs/dbraw/zinc/90/71/24/1130907124.db2.gz MJAKNZPSRAIPOL-SNVBAGLBSA-N 0 1 267.254 3.704 20 0 CHADMN CC1(C)[C@@H]2C[C@@H](N3CCc4c([nH]nc4C(F)(F)F)C3)C[C@@H]21 ZINC001170764651 1130910217 /nfs/dbraw/zinc/91/02/17/1130910217.db2.gz LCCLUEKEVHUUHD-MGAJZRQESA-N 0 1 299.340 3.778 20 0 CHADMN CCOc1cc(C)ccc1CN1CCc2c(N)cccc2C1 ZINC001236366547 1130920878 /nfs/dbraw/zinc/92/08/78/1130920878.db2.gz DNKPOEZZTFBZON-UHFFFAOYSA-N 0 1 296.414 3.534 20 0 CHADMN Cc1cccc(CN2CCCC[C@](C)(F)C2)c1F ZINC001137672626 1130923087 /nfs/dbraw/zinc/92/30/87/1130923087.db2.gz PYALANVICWNVPO-HNNXBMFYSA-N 0 1 253.336 3.848 20 0 CHADMN COc1c(C)cc([C@@H](C)NCc2cc(C)n[nH]2)cc1Cl ZINC000796772275 1130930767 /nfs/dbraw/zinc/93/07/67/1130930767.db2.gz QOJYCRXLXBPYSC-LLVKDONJSA-N 0 1 293.798 3.539 20 0 CHADMN CO[C@H](CN[C@@H](CCC(C)C)c1ccoc1)C(F)(F)F ZINC000796871271 1130941962 /nfs/dbraw/zinc/94/19/62/1130941962.db2.gz FJKKPFVMHKCEJZ-QWHCGFSZSA-N 0 1 293.329 3.924 20 0 CHADMN CSCc1cccc(N[C@H]2CCCc3[nH]ncc32)c1 ZINC000796918580 1130945642 /nfs/dbraw/zinc/94/56/42/1130945642.db2.gz MGOQFXBSLRLFOH-AWEZNQCLSA-N 0 1 273.405 3.762 20 0 CHADMN Cc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1-c1ncco1 ZINC000796922556 1130946000 /nfs/dbraw/zinc/94/60/00/1130946000.db2.gz HNPFLHPFPUKKBV-HNNXBMFYSA-N 0 1 294.358 3.863 20 0 CHADMN COc1cc(C)cc(N[C@H]2CCCc3[nH]ncc32)c1C ZINC000796972249 1130950196 /nfs/dbraw/zinc/95/01/96/1130950196.db2.gz ISNWBNXSUXXDTR-ZDUSSCGKSA-N 0 1 271.364 3.525 20 0 CHADMN CC[C@@H](NCc1cccnc1F)c1cccc(C)c1 ZINC000796973868 1130950360 /nfs/dbraw/zinc/95/03/60/1130950360.db2.gz BKVKNILXQINQJS-OAHLLOKOSA-N 0 1 258.340 3.770 20 0 CHADMN CC1(C)CCCN(Cc2ccnc(Br)c2)CC1 ZINC000815053469 1130952300 /nfs/dbraw/zinc/95/23/00/1130952300.db2.gz KHEJAVZBQYVSBS-UHFFFAOYSA-N 0 1 297.240 3.856 20 0 CHADMN Cc1ccc(-c2nc[nH]c3nc(=S)sc2-3)c2c[nH]nc21 ZINC001236485589 1130953602 /nfs/dbraw/zinc/95/36/02/1130953602.db2.gz QORJMNDIVKQBHS-UHFFFAOYSA-N 0 1 299.384 3.552 20 0 CHADMN CC[C@H](C(=O)OCc1cccc(SC)c1)N(CC)CC ZINC000797045014 1130956351 /nfs/dbraw/zinc/95/63/51/1130956351.db2.gz ZOBBSXWWLGPCGK-OAHLLOKOSA-N 0 1 295.448 3.572 20 0 CHADMN Cc1nc2ccc(-c3ccc(C)c4n[nH]cc43)cc2[nH]1 ZINC001236493379 1130956703 /nfs/dbraw/zinc/95/67/03/1130956703.db2.gz SYEXPMZTCRCKGB-UHFFFAOYSA-N 0 1 262.316 3.723 20 0 CHADMN Oc1cccc(CNC/C=C\c2ccccc2)c1Cl ZINC000815126007 1130959474 /nfs/dbraw/zinc/95/94/74/1130959474.db2.gz DXAPCCNRQHYFRV-YVMONPNESA-N 0 1 273.763 3.849 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cnn(C)c2Cl)c1C ZINC000815125108 1130959784 /nfs/dbraw/zinc/95/97/84/1130959784.db2.gz UJZVJABBDZQNDX-GFCCVEGCSA-N 0 1 277.799 3.541 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2ccnc(Br)c2)C1 ZINC000815099426 1130960562 /nfs/dbraw/zinc/96/05/62/1130960562.db2.gz VPYAPWCFHIYSQJ-CYBMUJFWSA-N 0 1 297.240 3.712 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1cncc(OC(C)C)c1 ZINC001236520551 1130963044 /nfs/dbraw/zinc/96/30/44/1130963044.db2.gz YDWXUAONPSJGRJ-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN c1ccc2c(c1)cncc2CNc1cc2c(cn1)CCC2 ZINC000815158884 1130963453 /nfs/dbraw/zinc/96/34/53/1130963453.db2.gz DCKHOEMIXSSVTA-UHFFFAOYSA-N 0 1 275.355 3.731 20 0 CHADMN Cc1cc(Cl)nc(Cl)c1C[N@@H+](C)CC1CCC1 ZINC001236603603 1130981966 /nfs/dbraw/zinc/98/19/66/1130981966.db2.gz CPOPRBCSYRHATG-UHFFFAOYSA-N 0 1 273.207 3.929 20 0 CHADMN Cc1cc(Cl)nc(Cl)c1CN(C)CC1CCC1 ZINC001236603603 1130981969 /nfs/dbraw/zinc/98/19/69/1130981969.db2.gz CPOPRBCSYRHATG-UHFFFAOYSA-N 0 1 273.207 3.929 20 0 CHADMN CCN(Cc1cnc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC001236618590 1130985618 /nfs/dbraw/zinc/98/56/18/1130985618.db2.gz GCDCSYJADIGMGL-UHFFFAOYSA-N 0 1 278.705 3.738 20 0 CHADMN Cc1cc(Cl)cc(CN(C)CCOc2ccccc2)n1 ZINC001236639258 1130986448 /nfs/dbraw/zinc/98/64/48/1130986448.db2.gz NVBYZQKKFSPLJT-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN Cc1cc(Cl)cc(C[N@@H+](C)CCc2cccs2)n1 ZINC001236640967 1130986475 /nfs/dbraw/zinc/98/64/75/1130986475.db2.gz YUVKSSLIFYOREP-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)n1 ZINC001236641782 1130986974 /nfs/dbraw/zinc/98/69/74/1130986974.db2.gz YIESNAWACBFNJN-MFKMUULPSA-N 0 1 286.753 3.521 20 0 CHADMN Cc1cc(Cl)cc(CN2C[C@H]3[C@H](CCC3(F)F)C2)n1 ZINC001236641782 1130986979 /nfs/dbraw/zinc/98/69/79/1130986979.db2.gz YIESNAWACBFNJN-MFKMUULPSA-N 0 1 286.753 3.521 20 0 CHADMN CCC1CCN(Cc2cc(Cl)cc(C)n2)CC1 ZINC001236639854 1130987127 /nfs/dbraw/zinc/98/71/27/1130987127.db2.gz NKADHQXJBJVVNB-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN c1cc2c(cccc2CN2CCc3cnccc3C2)s1 ZINC001236683881 1130992673 /nfs/dbraw/zinc/99/26/73/1130992673.db2.gz WMKIBNYQDVBLPS-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN Cc1cc(CN(C)Cc2cccc3sccc32)n(C)n1 ZINC001236680371 1130993385 /nfs/dbraw/zinc/99/33/85/1130993385.db2.gz XHJVQZYZEFQMHO-UHFFFAOYSA-N 0 1 285.416 3.575 20 0 CHADMN CC[C@@H]1CCCN1Cc1ccc(Br)c(O)c1 ZINC001236687457 1130994114 /nfs/dbraw/zinc/99/41/14/1130994114.db2.gz MVDLAUAOSPMWKH-LLVKDONJSA-N 0 1 284.197 3.529 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cc(C)nc(Cl)c1 ZINC000797600993 1130997071 /nfs/dbraw/zinc/99/70/71/1130997071.db2.gz IVUYWGGVGHEQEG-LBPRGKRZSA-N 0 1 289.810 3.852 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(F)c(O)c2)cc1 ZINC001236710813 1130998055 /nfs/dbraw/zinc/99/80/55/1130998055.db2.gz POTHWXDYPYRKIY-UHFFFAOYSA-N 0 1 273.351 3.726 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)N[C@H](C)c1ccccn1 ZINC000815552983 1130998147 /nfs/dbraw/zinc/99/81/47/1130998147.db2.gz OXESIIQLKADUHY-QWHCGFSZSA-N 0 1 258.340 3.941 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(F)c(O)c2)cc1C ZINC001236707966 1130998149 /nfs/dbraw/zinc/99/81/49/1130998149.db2.gz MXOZHGKDZXLOEG-UHFFFAOYSA-N 0 1 273.351 3.780 20 0 CHADMN c1cc2cccc(CN3CCC[C@H]3c3ncccn3)c2o1 ZINC001236742488 1131002098 /nfs/dbraw/zinc/00/20/98/1131002098.db2.gz LDTGYGCMMNOUMA-HNNXBMFYSA-N 0 1 279.343 3.560 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2CCCCCC2)c1 ZINC001236764385 1131004852 /nfs/dbraw/zinc/00/48/52/1131004852.db2.gz VHEUWKVSGPJRDJ-UHFFFAOYSA-N 0 1 281.783 3.503 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000815597261 1131006459 /nfs/dbraw/zinc/00/64/59/1131006459.db2.gz RBLRVLAKTMJROZ-NHYWBVRUSA-N 0 1 273.355 3.585 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000815599602 1131007592 /nfs/dbraw/zinc/00/75/92/1131007592.db2.gz WURQPLDPVFVJAE-NWDGAFQWSA-N 0 1 290.386 3.787 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C[C@H]1CCC(F)(F)C1 ZINC000798000161 1131020170 /nfs/dbraw/zinc/02/01/70/1131020170.db2.gz LOZSZWFMFKRSND-SNVBAGLBSA-N 0 1 293.317 3.635 20 0 CHADMN CCOc1cncc(CN2CCc3ccccc3[C@H]2CC)c1 ZINC001236844586 1131021141 /nfs/dbraw/zinc/02/11/41/1131021141.db2.gz DBTLVAXGIQHZPR-LJQANCHMSA-N 0 1 296.414 3.990 20 0 CHADMN Cc1cccc(CN2CCC(C)(F)CC2)c1Cl ZINC001236852341 1131022439 /nfs/dbraw/zinc/02/24/39/1131022439.db2.gz UWIUSPOINFVQLV-UHFFFAOYSA-N 0 1 255.764 3.972 20 0 CHADMN CCO[C@@H]1CCCN(Cc2cccc(C)c2Cl)C1 ZINC001236854819 1131022830 /nfs/dbraw/zinc/02/28/30/1131022830.db2.gz YXLJVFQLBSFDGM-CQSZACIVSA-N 0 1 267.800 3.649 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2ccc(F)c3ccoc32)C1 ZINC001236890244 1131026491 /nfs/dbraw/zinc/02/64/91/1131026491.db2.gz IXCNNUHYCNWVJA-JQWIXIFHSA-N 0 1 265.303 3.752 20 0 CHADMN CCC=C(C)C(=O)Nc1ccccc1Nc1ccncc1 ZINC000798253828 1131032353 /nfs/dbraw/zinc/03/23/53/1131032353.db2.gz OGIHDJFRHIXKHC-AWNIVKPZSA-N 0 1 281.359 3.542 20 0 CHADMN Cc1cccc(-c2ccc(CN3CCC3)cn2)c1C ZINC001236978514 1131033268 /nfs/dbraw/zinc/03/32/68/1131033268.db2.gz CAKKKQOTTNSARM-UHFFFAOYSA-N 0 1 252.361 3.571 20 0 CHADMN Clc1ccc(-c2ccc(CN3CCC3)cn2)cc1 ZINC001237007080 1131036548 /nfs/dbraw/zinc/03/65/48/1131036548.db2.gz VMFGIIUHIDAQNN-UHFFFAOYSA-N 0 1 258.752 3.608 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CC[C@H](c2ccccn2)C1 ZINC000798415370 1131037252 /nfs/dbraw/zinc/03/72/52/1131037252.db2.gz HHMHLRBJPVDMFS-ZDUSSCGKSA-N 0 1 293.345 3.763 20 0 CHADMN CSc1ccc([C@H](C)NCc2ccc(F)nc2)cc1 ZINC000798502554 1131040674 /nfs/dbraw/zinc/04/06/74/1131040674.db2.gz QIOMTBWUVSPDAA-NSHDSACASA-N 0 1 276.380 3.793 20 0 CHADMN CSCCCN(C)Cc1cc(Cl)nc(Cl)c1 ZINC000799199324 1131076931 /nfs/dbraw/zinc/07/69/31/1131076931.db2.gz WSKZICLFRLNDCV-UHFFFAOYSA-N 0 1 279.236 3.573 20 0 CHADMN CCCc1ccc(NC(=O)c2cc(C)cc(C=O)c2O)cc1 ZINC001135333470 1131045956 /nfs/dbraw/zinc/04/59/56/1131045956.db2.gz ZCDQGDAOMMQECH-UHFFFAOYSA-N 0 1 297.354 3.718 20 0 CHADMN CC(C)[C@H]1CN(Cc2ccc(C3CCC3)cc2)CCO1 ZINC001237106752 1131050575 /nfs/dbraw/zinc/05/05/75/1131050575.db2.gz IXNQMZRWDKKNFF-GOSISDBHSA-N 0 1 273.420 3.811 20 0 CHADMN Brc1ccncc1CN1CCCCCCC1 ZINC001237382807 1131094956 /nfs/dbraw/zinc/09/49/56/1131094956.db2.gz SBMFRKVCXDOYAG-UHFFFAOYSA-N 0 1 283.213 3.610 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1cnccc1Br ZINC001237388413 1131095338 /nfs/dbraw/zinc/09/53/38/1131095338.db2.gz PESNAPGHKVGQCD-PHIMTYICSA-N 0 1 283.213 3.607 20 0 CHADMN COc1cccc2c(CN3CCCC[C@H](F)C3)ccnc12 ZINC001237113360 1131053395 /nfs/dbraw/zinc/05/33/95/1131053395.db2.gz KKJZOQWIAHJDDL-AWEZNQCLSA-N 0 1 288.366 3.567 20 0 CHADMN Cc1c(CN2CCC(OC3CCC3)CC2)ccc(F)c1F ZINC001237154227 1131059500 /nfs/dbraw/zinc/05/95/00/1131059500.db2.gz LTBPSVYBXRIWLS-UHFFFAOYSA-N 0 1 295.373 3.807 20 0 CHADMN C[C@@H](OC(=O)C(C)(C)N1CCCC1)c1cccc(Cl)c1 ZINC000805610569 1131063901 /nfs/dbraw/zinc/06/39/01/1131063901.db2.gz GGIKMILAKMRYJE-GFCCVEGCSA-N 0 1 295.810 3.819 20 0 CHADMN Fc1cccc(Cl)c1CN1CC[C@@H](c2ccccn2)C1 ZINC000798965217 1131067141 /nfs/dbraw/zinc/06/71/41/1131067141.db2.gz QBOFMGRLOQWGHT-GFCCVEGCSA-N 0 1 290.769 3.864 20 0 CHADMN Fc1cccc([C@H]2CC[N@H+](Cc3occc3[S-])C2)c1 ZINC001237191775 1131068568 /nfs/dbraw/zinc/06/85/68/1131068568.db2.gz OXKVSIJPIAXGMV-LBPRGKRZSA-N 0 1 277.364 3.697 20 0 CHADMN Fc1cccc([C@H]2CC[N@@H+](Cc3occc3[S-])C2)c1 ZINC001237191775 1131068572 /nfs/dbraw/zinc/06/85/72/1131068572.db2.gz OXKVSIJPIAXGMV-LBPRGKRZSA-N 0 1 277.364 3.697 20 0 CHADMN CC(C)CC[C@H]1CCCCN1Cc1cnc(Cl)cn1 ZINC000799142472 1131072395 /nfs/dbraw/zinc/07/23/95/1131072395.db2.gz UAYPEMKGPXVLHS-CQSZACIVSA-N 0 1 281.831 3.921 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cnc(Cl)cn2)cc1 ZINC000799154043 1131072938 /nfs/dbraw/zinc/07/29/38/1131072938.db2.gz DOBAANIBGPFQMY-UHFFFAOYSA-N 0 1 289.810 3.717 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cnc(Cl)cn1)C1CC1 ZINC000799157764 1131072979 /nfs/dbraw/zinc/07/29/79/1131072979.db2.gz BFYFPRFBZBMCEF-INIZCTEOSA-N 0 1 287.794 3.679 20 0 CHADMN CC(C)[C@H](NCc1cnc(Cl)cn1)c1ccc(F)cc1 ZINC000799127187 1131073096 /nfs/dbraw/zinc/07/30/96/1131073096.db2.gz QSSHIODJRZIBAA-HNNXBMFYSA-N 0 1 293.773 3.756 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](c2ccccn2)C1 ZINC000799191264 1131073802 /nfs/dbraw/zinc/07/38/02/1131073802.db2.gz KVAMSTXMGSSQLC-UONOGXRCSA-N 0 1 299.418 3.918 20 0 CHADMN FC1CCN(Cc2ccc3nccc(Cl)c3c2)CC1 ZINC001237262909 1131074266 /nfs/dbraw/zinc/07/42/66/1131074266.db2.gz BVQHLJQGJKKHBC-UHFFFAOYSA-N 0 1 278.758 3.822 20 0 CHADMN Cn1nccc1[C@H]1CCCCN1Cc1ccc(CF)cc1 ZINC000799183346 1131074503 /nfs/dbraw/zinc/07/45/03/1131074503.db2.gz KYILWRYTLKDZGR-QGZVFWFLSA-N 0 1 287.382 3.617 20 0 CHADMN CC1(C)CCN(Cc2ccncc2C(F)(F)F)CC1 ZINC001237290528 1131078075 /nfs/dbraw/zinc/07/80/75/1131078075.db2.gz KEBXHNHAHLIJLY-UHFFFAOYSA-N 0 1 272.314 3.722 20 0 CHADMN C[C@@H]1CCN(Cc2ccncc2C(F)(F)F)[C@H](C)C1 ZINC001237292679 1131079050 /nfs/dbraw/zinc/07/90/50/1131079050.db2.gz QJUWWORXYMOANE-GHMZBOCLSA-N 0 1 272.314 3.721 20 0 CHADMN FC(F)(F)c1cnccc1CN1CCCCC12CC2 ZINC001237291888 1131079514 /nfs/dbraw/zinc/07/95/14/1131079514.db2.gz GWWOLKFOWDKFSE-UHFFFAOYSA-N 0 1 270.298 3.619 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cc(C(F)(F)F)n[nH]2)s1 ZINC000799335061 1131081589 /nfs/dbraw/zinc/08/15/89/1131081589.db2.gz MQLMEOIJCXAOJU-MRVPVSSYSA-N 0 1 289.326 3.649 20 0 CHADMN Cc1cc(F)cc(C)c1CN(C)Cc1cccnc1C ZINC001237325360 1131083753 /nfs/dbraw/zinc/08/37/53/1131083753.db2.gz JQRQQSYAAOLOLG-UHFFFAOYSA-N 0 1 272.367 3.778 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2cnn(C)c2Cl)c1 ZINC000816486709 1131098056 /nfs/dbraw/zinc/09/80/56/1131098056.db2.gz OZBHZAGMWXOMQI-HNNXBMFYSA-N 0 1 289.810 3.719 20 0 CHADMN CC(C)c1cccc(C[N@H+]2CCCC(=O)[C@H](C)C2)c1 ZINC001237456401 1131098360 /nfs/dbraw/zinc/09/83/60/1131098360.db2.gz IPOBQLWRZDCJJP-CQSZACIVSA-N 0 1 259.393 3.611 20 0 CHADMN CC(C)c1cccc(CN2CCCC(=O)[C@H](C)C2)c1 ZINC001237456401 1131098365 /nfs/dbraw/zinc/09/83/65/1131098365.db2.gz IPOBQLWRZDCJJP-CQSZACIVSA-N 0 1 259.393 3.611 20 0 CHADMN c1c(CN2CCC[C@H]2c2ccccc2)nn2ccccc12 ZINC001237444692 1131098426 /nfs/dbraw/zinc/09/84/26/1131098426.db2.gz ZGWRUYDSGIMKLH-SFHVURJKSA-N 0 1 277.371 3.671 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cc3ccccn3n2)cc1 ZINC001237443386 1131098793 /nfs/dbraw/zinc/09/87/93/1131098793.db2.gz RCNNOVNPLVFMDQ-LJQANCHMSA-N 0 1 291.398 3.980 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cc3ccccn3n2)cc1 ZINC001237443384 1131099187 /nfs/dbraw/zinc/09/91/87/1131099187.db2.gz RCNNOVNPLVFMDQ-IBGZPJMESA-N 0 1 291.398 3.980 20 0 CHADMN Cc1nc([C@@H]2CCC[N@H+](Cc3cccc(C(C)C)c3)C2)no1 ZINC001237455923 1131099650 /nfs/dbraw/zinc/09/96/50/1131099650.db2.gz FTYRTYFADDSICA-QGZVFWFLSA-N 0 1 299.418 3.881 20 0 CHADMN CN(Cc1cnn(C)c1Cl)C1CCCCCCC1 ZINC000816499516 1131102071 /nfs/dbraw/zinc/10/20/71/1131102071.db2.gz SQKHTMAJSJIDQE-UHFFFAOYSA-N 0 1 269.820 3.618 20 0 CHADMN CC(C)c1cccc(CN2CCc3ccncc3C2)c1 ZINC001237463528 1131103170 /nfs/dbraw/zinc/10/31/70/1131103170.db2.gz UPWHDHNMPSZWHW-UHFFFAOYSA-N 0 1 266.388 3.763 20 0 CHADMN CCN(C)c1ccccc1CN[C@@H](C)c1cccc(O)c1 ZINC000799716918 1131103928 /nfs/dbraw/zinc/10/39/28/1131103928.db2.gz AGGLYRSDQBYPPY-AWEZNQCLSA-N 0 1 284.403 3.699 20 0 CHADMN CCN(C)c1ccccc1CN[C@H](C)c1cccc(O)c1 ZINC000799716919 1131104093 /nfs/dbraw/zinc/10/40/93/1131104093.db2.gz AGGLYRSDQBYPPY-CQSZACIVSA-N 0 1 284.403 3.699 20 0 CHADMN C[C@H]1CN(Cc2cccc3c(F)cccc23)C[C@H](C)O1 ZINC001237515831 1131107211 /nfs/dbraw/zinc/10/72/11/1131107211.db2.gz RFVROROMSYNASH-STQMWFEESA-N 0 1 273.351 3.588 20 0 CHADMN CC1=CC[C@@H](Nc2ccc(CN(C)C)c(F)c2)CC1 ZINC000816527760 1131108510 /nfs/dbraw/zinc/10/85/10/1131108510.db2.gz XHHPSKZPNGGJDC-CQSZACIVSA-N 0 1 262.372 3.798 20 0 CHADMN CSCCCCCCNCc1c(F)ccc(O)c1F ZINC000816567892 1131112720 /nfs/dbraw/zinc/11/27/20/1131112720.db2.gz OROMWCQHONWSNS-UHFFFAOYSA-N 0 1 289.391 3.683 20 0 CHADMN CSCCCCCC[NH2+]Cc1c(F)ccc([O-])c1F ZINC000816567892 1131112723 /nfs/dbraw/zinc/11/27/23/1131112723.db2.gz OROMWCQHONWSNS-UHFFFAOYSA-N 0 1 289.391 3.683 20 0 CHADMN C[C@@H]1CN(CCCc2c(F)cccc2Cl)[C@H]1C ZINC000816646915 1131118478 /nfs/dbraw/zinc/11/84/78/1131118478.db2.gz KRPRGBYIGVVWMC-MNOVXSKESA-N 0 1 255.764 3.752 20 0 CHADMN Cc1c(CN2CCOC[C@@H]2C)cccc1-c1ccccc1 ZINC001237581555 1131115957 /nfs/dbraw/zinc/11/59/57/1131115957.db2.gz PPCWPDFUYSCKPC-HNNXBMFYSA-N 0 1 281.399 3.883 20 0 CHADMN CCCOc1c(CN2C[C@@H](C)[C@H]2C)cccc1OCC ZINC000816646209 1131118584 /nfs/dbraw/zinc/11/85/84/1131118584.db2.gz ACXPHBWJQNZXKX-ZIAGYGMSSA-N 0 1 277.408 3.714 20 0 CHADMN C[C@H]1CN(Cc2ccc(N(C)c3ccccc3)nc2)[C@H]1C ZINC000816646887 1131118600 /nfs/dbraw/zinc/11/86/00/1131118600.db2.gz KENKKWJHZBRJDJ-GJZGRUSLSA-N 0 1 281.403 3.690 20 0 CHADMN C[C@H](CN1C[C@H](C)[C@H]1C)c1cccc(Br)c1 ZINC000816648492 1131118885 /nfs/dbraw/zinc/11/88/85/1131118885.db2.gz LJCDJQHQHXKUOR-QJPTWQEYSA-N 0 1 282.225 3.893 20 0 CHADMN Cc1ccc(CN(C)Cc2ccnc(OC(F)F)c2)cc1 ZINC001237616390 1131119566 /nfs/dbraw/zinc/11/95/66/1131119566.db2.gz ZJUXUSUQKGILBX-UHFFFAOYSA-N 0 1 292.329 3.623 20 0 CHADMN CCOc1ccc(CN2CCC(OC(C)C)CC2)c(F)c1 ZINC001237635944 1131121651 /nfs/dbraw/zinc/12/16/51/1131121651.db2.gz XERKAKNWAQNYIO-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN CC(C)CCc1noc(CN2CC[C@H]3CCCC[C@H]3C2)n1 ZINC001115897199 1131122137 /nfs/dbraw/zinc/12/21/37/1131122137.db2.gz WKTKANXNZVBAHJ-CABCVRRESA-N 0 1 291.439 3.670 20 0 CHADMN CCc1n[nH]cc1CN1CCCC[C@H]1c1ccccc1F ZINC001237650897 1131123307 /nfs/dbraw/zinc/12/33/07/1131123307.db2.gz KOIZQVIRHIKJAC-KRWDZBQOSA-N 0 1 287.382 3.838 20 0 CHADMN CC(C)N(CCc1ccccc1)CC(=O)Nc1ccccc1 ZINC001115917834 1131123380 /nfs/dbraw/zinc/12/33/80/1131123380.db2.gz KNADAHJZQZGCTN-UHFFFAOYSA-N 0 1 296.414 3.578 20 0 CHADMN CCc1n[nH]cc1CN1CCCC[C@H]1c1cccc(OC)c1 ZINC001237650504 1131123577 /nfs/dbraw/zinc/12/35/77/1131123577.db2.gz IEXISFDCNLMCOO-SFHVURJKSA-N 0 1 299.418 3.708 20 0 CHADMN CSc1ncc(-c2cc(Cl)c(O)cc2F)c(C)n1 ZINC001245673834 1131124836 /nfs/dbraw/zinc/12/48/36/1131124836.db2.gz MFSDGBNYVNNJPK-UHFFFAOYSA-N 0 1 284.743 3.672 20 0 CHADMN O=C(CC(C1CC1)C1CC1)Nc1cccc(Cl)c1O ZINC001116103200 1131129012 /nfs/dbraw/zinc/12/90/12/1131129012.db2.gz BCMXCVYAFJJODW-UHFFFAOYSA-N 0 1 279.767 3.810 20 0 CHADMN CC[C@@H](C)[C@H](C)N(C(=O)c1cnc(C(C)C)[nH]1)C1CC1 ZINC001116117178 1131129156 /nfs/dbraw/zinc/12/91/56/1131129156.db2.gz DQTDWOMEDWKRHN-NEPJUHHUSA-N 0 1 277.412 3.572 20 0 CHADMN Cc1nc(-c2ccccc2)n(CN2CCC(C(C)C)CC2)n1 ZINC001116127551 1131129494 /nfs/dbraw/zinc/12/94/94/1131129494.db2.gz DTIIGSKUIJJWSB-UHFFFAOYSA-N 0 1 298.434 3.579 20 0 CHADMN CCCCCC[C@H](C)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001116151523 1131130667 /nfs/dbraw/zinc/13/06/67/1131130667.db2.gz DUDGKGBHPWLMLX-HNNXBMFYSA-N 0 1 282.472 3.536 20 0 CHADMN CS[C@H]1CC[C@@H](N(C)Cc2ncc(C(C)C)o2)C1 ZINC001116160797 1131131739 /nfs/dbraw/zinc/13/17/39/1131131739.db2.gz AVQLGIPLWBMZEL-NEPJUHHUSA-N 0 1 268.426 3.514 20 0 CHADMN CC(C)(C)CN(Cc1ccccc1)CN1C(=O)CC1(C)C ZINC001116209461 1131133908 /nfs/dbraw/zinc/13/39/08/1131133908.db2.gz NZCNRGOBXNRJHE-UHFFFAOYSA-N 0 1 288.435 3.503 20 0 CHADMN CC(C)c1ncc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)[nH]1 ZINC001116204872 1131134137 /nfs/dbraw/zinc/13/41/37/1131134137.db2.gz LROBNGHTWSJNQK-YDHLFZDLSA-N 0 1 289.423 3.574 20 0 CHADMN CC[C@@H](C)CONC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000816976782 1131135840 /nfs/dbraw/zinc/13/58/40/1131135840.db2.gz KERYPIPMWAGOMZ-LLVKDONJSA-N 0 1 283.799 3.712 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(F)cc2F)C(C)(C)C)[nH]n1 ZINC001116256035 1131136539 /nfs/dbraw/zinc/13/65/39/1131136539.db2.gz UXTWHJZSQBDDFZ-OAHLLOKOSA-N 0 1 293.361 3.873 20 0 CHADMN c1ccc2c(c1)CN(Cc1cccc3c1OCC3)CCS2 ZINC001237755651 1131139263 /nfs/dbraw/zinc/13/92/63/1131139263.db2.gz UNLKBJHVWPGOFS-UHFFFAOYSA-N 0 1 297.423 3.729 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cccc2c1OCC2 ZINC001237752568 1131139645 /nfs/dbraw/zinc/13/96/45/1131139645.db2.gz FPPWAXFGCIBBPW-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN CC1(C)CN(Cc2cnc(C3CC3)s2)CCC1(F)F ZINC001237785798 1131139744 /nfs/dbraw/zinc/13/97/44/1131139744.db2.gz DLFXURWRBGYASU-UHFFFAOYSA-N 0 1 286.391 3.888 20 0 CHADMN Cc1nc(C[N@H+]2CC[C@H](c3ccccc3F)C2)ccc1F ZINC001237819018 1131144730 /nfs/dbraw/zinc/14/47/30/1131144730.db2.gz ZPSBDKNZMJEYJO-ZDUSSCGKSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccccc3F)C2)ccc1F ZINC001237819018 1131144734 /nfs/dbraw/zinc/14/47/34/1131144734.db2.gz ZPSBDKNZMJEYJO-ZDUSSCGKSA-N 0 1 288.341 3.658 20 0 CHADMN COc1cccc(CN(C)CC(C)C)c1Br ZINC001237860873 1131145614 /nfs/dbraw/zinc/14/56/14/1131145614.db2.gz DNKJJOFFSUFACG-UHFFFAOYSA-N 0 1 286.213 3.546 20 0 CHADMN CC(C)C1=NCCc2ccc(CN3CCC(F)(F)C3)cc21 ZINC001237880425 1131147038 /nfs/dbraw/zinc/14/70/38/1131147038.db2.gz FRSRJQBGBUPIBD-UHFFFAOYSA-N 0 1 292.373 3.529 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC001237874603 1131147544 /nfs/dbraw/zinc/14/75/44/1131147544.db2.gz HHMXYQPZNFGFTA-CHWSQXEVSA-N 0 1 287.407 3.639 20 0 CHADMN CCCOc1cc(F)ccc1CN1CC[C@@H](OC(C)C)C1 ZINC001237908267 1131149791 /nfs/dbraw/zinc/14/97/91/1131149791.db2.gz GAPRKGPWEDFQAX-MRXNPFEDSA-N 0 1 295.398 3.614 20 0 CHADMN F[C@@H]1CCCN(Cc2ccccc2C2CCOCC2)C1 ZINC001237902177 1131150048 /nfs/dbraw/zinc/15/00/48/1131150048.db2.gz JWBABKGHTMQKFF-MRXNPFEDSA-N 0 1 277.383 3.515 20 0 CHADMN CC[C@@H](C)[C@H](C)N(C(=O)c1ccc2cncn2c1C)C1CC1 ZINC001116490103 1131150177 /nfs/dbraw/zinc/15/01/77/1131150177.db2.gz ZPJHPLWUNUYHJZ-OLZOCXBDSA-N 0 1 299.418 3.682 20 0 CHADMN Cc1c(C(=O)N2CCC[C@H](C(C)C)CC2)ccc2cncn21 ZINC001116487553 1131150347 /nfs/dbraw/zinc/15/03/47/1131150347.db2.gz UFHIFNLKMWAMHW-HNNXBMFYSA-N 0 1 299.418 3.541 20 0 CHADMN CCCOc1cc(F)ccc1CN1CCC(CF)CC1 ZINC001237907247 1131150529 /nfs/dbraw/zinc/15/05/29/1131150529.db2.gz YVKWYTZBYAAKBK-UHFFFAOYSA-N 0 1 283.362 3.796 20 0 CHADMN Fc1ccc(CCN2CCc3c(F)cc(F)cc3C2)cc1 ZINC001116507745 1131151073 /nfs/dbraw/zinc/15/10/73/1131151073.db2.gz SKUCCTWSBRIALV-UHFFFAOYSA-N 0 1 291.316 3.705 20 0 CHADMN CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2cncn2c1C ZINC001116527699 1131152583 /nfs/dbraw/zinc/15/25/83/1131152583.db2.gz KNCVBVIGISNWPJ-YOEHRIQHSA-N 0 1 299.418 3.731 20 0 CHADMN Cc1c(C(=O)NCCCCC2CCCC2)ccc2cncn21 ZINC001116530690 1131153574 /nfs/dbraw/zinc/15/35/74/1131153574.db2.gz PCENQHIQZPRINX-UHFFFAOYSA-N 0 1 299.418 3.733 20 0 CHADMN Fc1ccc(CCN2CCc3cc(F)ccc3C2)c(F)c1 ZINC001116529991 1131153809 /nfs/dbraw/zinc/15/38/09/1131153809.db2.gz CCPLIWUNCVQHMJ-UHFFFAOYSA-N 0 1 291.316 3.705 20 0 CHADMN Oc1c(F)cc(CN2Cc3ccccc3C2)cc1Cl ZINC001237990772 1131157757 /nfs/dbraw/zinc/15/77/57/1131157757.db2.gz SCWZIEOUBKKKOC-UHFFFAOYSA-N 0 1 277.726 3.701 20 0 CHADMN CN(Cc1cnc(F)cc1Cl)C1CCCCC1 ZINC001238025530 1131163776 /nfs/dbraw/zinc/16/37/76/1131163776.db2.gz WOHSVYBILMEFCK-UHFFFAOYSA-N 0 1 256.752 3.639 20 0 CHADMN CO[C@@H]1CCN(Cc2c(F)ccc(C)c2Cl)[C@@H](C)C1 ZINC001138030435 1131164365 /nfs/dbraw/zinc/16/43/65/1131164365.db2.gz FZMBLLHPTCGSSF-NWDGAFQWSA-N 0 1 285.790 3.787 20 0 CHADMN Cc1cc(CNc2ccc(Oc3ccccc3F)nc2)n[nH]1 ZINC001116818000 1131165751 /nfs/dbraw/zinc/16/57/51/1131165751.db2.gz JBEPASPZBHLWPL-UHFFFAOYSA-N 0 1 298.321 3.657 20 0 CHADMN CCOc1cc(C[N@@H+](C)Cc2ccc(C)nc2)ccc1C ZINC001238073408 1131168709 /nfs/dbraw/zinc/16/87/09/1131168709.db2.gz FEWFELJHZXJPNO-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN CCOc1cc(CN(C)Cc2ccc(C)nc2)ccc1C ZINC001238073408 1131168711 /nfs/dbraw/zinc/16/87/11/1131168711.db2.gz FEWFELJHZXJPNO-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@]23CCOC3)cc(C)c1Cl ZINC001238098386 1131170982 /nfs/dbraw/zinc/17/09/82/1131170982.db2.gz YIDAKDMLDFCDLW-INIZCTEOSA-N 0 1 279.811 3.712 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccc(C(F)F)c2)n(C)n1 ZINC001117077605 1131171907 /nfs/dbraw/zinc/17/19/07/1131171907.db2.gz ZEYOIDHRGPMMJT-LLVKDONJSA-N 0 1 279.334 3.517 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2ccc(Cl)c(F)c2)n(C)n1 ZINC001117076167 1131172114 /nfs/dbraw/zinc/17/21/14/1131172114.db2.gz PJHDAJLTFZKJQE-GHMZBOCLSA-N 0 1 295.789 3.933 20 0 CHADMN Clc1cccc2c1CN(Cc1cccc3cncn31)CC2 ZINC001238111067 1131172219 /nfs/dbraw/zinc/17/22/19/1131172219.db2.gz QPDUANDBSGVQLC-UHFFFAOYSA-N 0 1 297.789 3.546 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1cc(O)ccc1C ZINC001238106282 1131173348 /nfs/dbraw/zinc/17/33/48/1131173348.db2.gz INWRIUSLDTTWGZ-CQSZACIVSA-N 0 1 285.387 3.902 20 0 CHADMN Cc1ncncc1CN1CC=C(c2ccc(Cl)cc2)CC1 ZINC001238165532 1131175987 /nfs/dbraw/zinc/17/59/87/1131175987.db2.gz TZUZEGZGUOMEQT-UHFFFAOYSA-N 0 1 299.805 3.728 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2cncnc2C)cc1 ZINC001238166993 1131176104 /nfs/dbraw/zinc/17/61/04/1131176104.db2.gz HJXXESRHUHEYOC-GOSISDBHSA-N 0 1 297.402 3.521 20 0 CHADMN FC1(F)CCCN(Cc2cncc(C3CC3)c2)CC1 ZINC001238180960 1131176277 /nfs/dbraw/zinc/17/62/77/1131176277.db2.gz AKDHQGDORVHCML-UHFFFAOYSA-N 0 1 266.335 3.580 20 0 CHADMN Oc1cc(F)c(CN2CC[C@H](C(F)(F)F)C2)cc1Cl ZINC001238152392 1131177067 /nfs/dbraw/zinc/17/70/67/1131177067.db2.gz OTGQTVUXFRPFDY-QMMMGPOBSA-N 0 1 297.679 3.569 20 0 CHADMN c1cncc([C@H]2CCCN2Cc2cncc(C3CC3)c2)c1 ZINC001238188552 1131177981 /nfs/dbraw/zinc/17/79/81/1131177981.db2.gz XQBRJBNNKLIBPK-GOSISDBHSA-N 0 1 279.387 3.691 20 0 CHADMN c1cc([C@@H]2CCCN2Cc2cncc(C3CC3)c2)ccn1 ZINC001238184037 1131178354 /nfs/dbraw/zinc/17/83/54/1131178354.db2.gz HRHOLSXDRGFXJC-SFHVURJKSA-N 0 1 279.387 3.691 20 0 CHADMN CC(C)c1cc(CN2CCC(CO)CC2)ccc1Cl ZINC001238221425 1131183931 /nfs/dbraw/zinc/18/39/31/1131183931.db2.gz FKRKQSKAMWJCIS-UHFFFAOYSA-N 0 1 281.827 3.668 20 0 CHADMN C[C@H]1CCCN(Cc2c(F)ccnc2Cl)C[C@H]1C ZINC001238224452 1131184240 /nfs/dbraw/zinc/18/42/40/1131184240.db2.gz KMJRBAUIUFITQF-WDEREUQCSA-N 0 1 270.779 3.742 20 0 CHADMN Fc1cccc2c1CC[C@@H]2N1CCCc2occc2C1 ZINC001117508397 1131188623 /nfs/dbraw/zinc/18/86/23/1131188623.db2.gz HXNSOXUROZXLCK-INIZCTEOSA-N 0 1 271.335 3.854 20 0 CHADMN Cc1cc(CN2CCC3(CCCO3)CC2)c(F)cc1Cl ZINC001238301807 1131188813 /nfs/dbraw/zinc/18/88/13/1131188813.db2.gz CBABFCSENQAQQY-UHFFFAOYSA-N 0 1 297.801 3.933 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CCC2(CC2)C1 ZINC001238319333 1131189337 /nfs/dbraw/zinc/18/93/37/1131189337.db2.gz VERPLIINDWJVNQ-UHFFFAOYSA-N 0 1 263.356 3.599 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(SC(F)(F)F)cc1 ZINC001117631650 1131189623 /nfs/dbraw/zinc/18/96/23/1131189623.db2.gz VPEDSEJEEJBKBZ-UHFFFAOYSA-N 0 1 287.310 3.942 20 0 CHADMN COc1c(Br)cc(C)cc1CN1CCC[C@H]1C ZINC001238317980 1131189876 /nfs/dbraw/zinc/18/98/76/1131189876.db2.gz MXHYIWUJLAKUJR-LLVKDONJSA-N 0 1 298.224 3.750 20 0 CHADMN CN(C)c1ncccc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001117614262 1131190158 /nfs/dbraw/zinc/19/01/58/1131190158.db2.gz MJUQSQNRFKJSKZ-KRWDZBQOSA-N 0 1 299.393 3.624 20 0 CHADMN CN(C)c1ncccc1CN1CCC[C@H]1c1ccc(F)cc1 ZINC001117614262 1131190162 /nfs/dbraw/zinc/19/01/62/1131190162.db2.gz MJUQSQNRFKJSKZ-KRWDZBQOSA-N 0 1 299.393 3.624 20 0 CHADMN FC(F)(F)[C@@H](Nc1cccc2[nH]nnc21)c1ccccc1 ZINC001170883289 1131192781 /nfs/dbraw/zinc/19/27/81/1131192781.db2.gz LCYSKWRMHSRCBZ-ZDUSSCGKSA-N 0 1 292.264 3.673 20 0 CHADMN COc1ccc(CN2CC[C@H]3CCCC[C@@H]3C2)c(F)c1O ZINC001238369453 1131193535 /nfs/dbraw/zinc/19/35/35/1131193535.db2.gz VSILBVHZMGCAIY-CHWSQXEVSA-N 0 1 293.382 3.552 20 0 CHADMN Cc1cc(CN2CCCC(F)(F)CC2)cnc1OC(C)C ZINC001238375210 1131194576 /nfs/dbraw/zinc/19/45/76/1131194576.db2.gz JOUWQIYZHQTWMB-UHFFFAOYSA-N 0 1 298.377 3.798 20 0 CHADMN CCOc1ccc(CN2CC[C@H](OC)C[C@H]2C)c(Cl)c1 ZINC001238401653 1131195587 /nfs/dbraw/zinc/19/55/87/1131195587.db2.gz BYEUJAJEXGQKOW-OCCSQVGLSA-N 0 1 297.826 3.738 20 0 CHADMN CCOc1ccc(CN2CCCC23CC3)c(Cl)c1 ZINC001238396862 1131195888 /nfs/dbraw/zinc/19/58/88/1131195888.db2.gz JKKUPBPQCWPGOA-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN Cc1cc(CN2CCC23CCCC3)ncc1Cl ZINC001238418421 1131197942 /nfs/dbraw/zinc/19/79/42/1131197942.db2.gz HRPYKAQPXHDEKK-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN CC(C)Oc1ccc(CN2CCC(C)CC2)c(F)c1 ZINC001238444628 1131200993 /nfs/dbraw/zinc/20/09/93/1131200993.db2.gz PFONPPAZMLCCNO-UHFFFAOYSA-N 0 1 265.372 3.845 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1cnc(F)c(OC)c1 ZINC001238452100 1131201793 /nfs/dbraw/zinc/20/17/93/1131201793.db2.gz VMNXJJRNKXPWMM-OAHLLOKOSA-N 0 1 288.366 3.812 20 0 CHADMN Cc1ccc(OC(C)C)cc1CN(C)Cc1cccnc1 ZINC001238475625 1131205647 /nfs/dbraw/zinc/20/56/47/1131205647.db2.gz HFSQBJHBASEFRO-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN COc1cnc(CN2CCC[C@@H]3CCC[C@H]32)c(Cl)c1 ZINC001238486871 1131206872 /nfs/dbraw/zinc/20/68/72/1131206872.db2.gz GUJZYLJDTYFQDB-XHDPSFHLSA-N 0 1 280.799 3.508 20 0 CHADMN COc1cnc(CN(C)[C@H]2CC[C@H](C)CC2)c(Cl)c1 ZINC001238497014 1131209008 /nfs/dbraw/zinc/20/90/08/1131209008.db2.gz LVINJOCSDHDLKZ-HAQNSBGRSA-N 0 1 282.815 3.754 20 0 CHADMN CCCCOc1ncc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)cc1C ZINC001238491904 1131209495 /nfs/dbraw/zinc/20/94/95/1131209495.db2.gz GFQGGUJSHBNXGK-JYJNAYRXSA-N 0 1 292.398 3.501 20 0 CHADMN CCN(CCn1cccn1)Cc1ccc(Cl)c(C)c1F ZINC001238515537 1131212718 /nfs/dbraw/zinc/21/27/18/1131212718.db2.gz IGZXIXYOKWCFBF-UHFFFAOYSA-N 0 1 295.789 3.506 20 0 CHADMN CC(C)Oc1c(F)ccc(CN2CC[C@H](C)C2)c1F ZINC001238526711 1131213415 /nfs/dbraw/zinc/21/34/15/1131213415.db2.gz GCUGVANSFLCQKM-NSHDSACASA-N 0 1 269.335 3.594 20 0 CHADMN Cc1c(-c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)ccc2cncn21 ZINC001118325507 1131218506 /nfs/dbraw/zinc/21/85/06/1131218506.db2.gz GAERABNSKLSUJN-DFBGVHRSSA-N 0 1 294.358 3.596 20 0 CHADMN CC(C)Oc1cc(CN2[C@@H](C)CCC[C@@H]2C)cnc1F ZINC001238591189 1131219225 /nfs/dbraw/zinc/21/92/25/1131219225.db2.gz YNHGBHPNWKBPJW-STQMWFEESA-N 0 1 280.387 3.771 20 0 CHADMN COc1cc(C)cc(F)c1CN1CCC[C@H]2CCC[C@@H]21 ZINC001238592316 1131220269 /nfs/dbraw/zinc/22/02/69/1131220269.db2.gz RZYNCNYVKDFACS-CJNGLKHVSA-N 0 1 277.383 3.907 20 0 CHADMN FC1(F)CC2(CN([C@H]3CCc4cccc(Cl)c4C3)C2)C1 ZINC001170915601 1131221553 /nfs/dbraw/zinc/22/15/53/1131221553.db2.gz AXQOMXFEAZWGDT-LBPRGKRZSA-N 0 1 297.776 3.928 20 0 CHADMN Cc1cc(CN2CC[C@@H](C(F)(F)F)C2)cnc1C1CC1 ZINC001238617194 1131223063 /nfs/dbraw/zinc/22/30/63/1131223063.db2.gz IRBMHUHUYRCOCZ-CYBMUJFWSA-N 0 1 284.325 3.652 20 0 CHADMN Cc1cc(CN2CC(c3ccccc3)C2)cnc1C1CC1 ZINC001238628789 1131224972 /nfs/dbraw/zinc/22/49/72/1131224972.db2.gz SJBMZEPEUDCWBZ-UHFFFAOYSA-N 0 1 278.399 3.867 20 0 CHADMN CC[C@@H](C)CCCCC(=O)Nc1cc(N(C)C)ccn1 ZINC001137800067 1131417443 /nfs/dbraw/zinc/41/74/43/1131417443.db2.gz TXAONIZJRHRLJK-CYBMUJFWSA-N 0 1 277.412 3.693 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cccnc1Br ZINC001137798136 1131417951 /nfs/dbraw/zinc/41/79/51/1131417951.db2.gz VCENAGITLAAWOG-LLVKDONJSA-N 0 1 283.213 3.609 20 0 CHADMN Cc1ccccc1[C@@H](c1noc([C@@H]2C[C@H]3C[C@H]3N2)n1)C(C)C ZINC000823209935 1131418137 /nfs/dbraw/zinc/41/81/37/1131418137.db2.gz KQKPPIVVUYSCRE-OJLVUWQFSA-N 0 1 297.402 3.589 20 0 CHADMN Clc1nc(CN(CC2CC2)C2CCC2)cs1 ZINC000829384503 1131418734 /nfs/dbraw/zinc/41/87/34/1131418734.db2.gz HQIGZZGQPXMJQU-UHFFFAOYSA-N 0 1 256.802 3.561 20 0 CHADMN Fc1c(CN2CC[C@H](c3ccccc3)C2)ccnc1Cl ZINC000823403818 1131425775 /nfs/dbraw/zinc/42/57/75/1131425775.db2.gz BOBICZBXSAHXOK-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1ccccc1[C@H]1CCN(Cc2cc(F)ncc2F)C1 ZINC000823429287 1131426133 /nfs/dbraw/zinc/42/61/33/1131426133.db2.gz XYKLAMCAFJJZHG-ZDUSSCGKSA-N 0 1 288.341 3.658 20 0 CHADMN CC[C@H]1CCCCCN1Cc1cc(F)ncc1F ZINC000823459139 1131428234 /nfs/dbraw/zinc/42/82/34/1131428234.db2.gz PWUKRDPGYIEMBM-LBPRGKRZSA-N 0 1 254.324 3.514 20 0 CHADMN C[C@]1(c2ccccc2)CCN(Cc2cc(F)ncc2F)C1 ZINC000823470070 1131428358 /nfs/dbraw/zinc/42/83/58/1131428358.db2.gz FYUOTCFBAIFVTH-KRWDZBQOSA-N 0 1 288.341 3.523 20 0 CHADMN CN(CCc1ccc(F)cc1)Cc1cc(F)c(F)cc1F ZINC001137891545 1131430146 /nfs/dbraw/zinc/43/01/46/1131430146.db2.gz YBSVFXFSFGWAPS-UHFFFAOYSA-N 0 1 297.295 3.918 20 0 CHADMN FC1(F)CCC[C@@H]1N[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171022209 1131434409 /nfs/dbraw/zinc/43/44/09/1131434409.db2.gz KHGDSKQVZHKLGL-RISCZKNCSA-N 0 1 285.765 3.975 20 0 CHADMN Cc1csc(C(=O)Nc2cccc(Cl)c2O)c1 ZINC001137932963 1131437961 /nfs/dbraw/zinc/43/79/61/1131437961.db2.gz PRDBNFTXGCZWRJ-UHFFFAOYSA-N 0 1 267.737 3.668 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2ccc(F)c(F)c2F)C1 ZINC001137940432 1131439156 /nfs/dbraw/zinc/43/91/56/1131439156.db2.gz XLSSTJBMXAVCLO-AOOOYVTPSA-N 0 1 257.299 3.582 20 0 CHADMN FC1(F)CC2(CN([C@H]3CCc4c(Cl)cccc4C3)C2)C1 ZINC001171035852 1131445591 /nfs/dbraw/zinc/44/55/91/1131445591.db2.gz ASJBVEKWIBVOQN-LBPRGKRZSA-N 0 1 297.776 3.928 20 0 CHADMN Fc1cc(CN[C@H](CC2CC2)c2ccccc2)c(F)cn1 ZINC000823882102 1131446470 /nfs/dbraw/zinc/44/64/70/1131446470.db2.gz JARAMKPCEAQLTI-MRXNPFEDSA-N 0 1 288.341 3.991 20 0 CHADMN C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc(Cl)c(O)c1 ZINC001136791748 1131446679 /nfs/dbraw/zinc/44/66/79/1131446679.db2.gz ZUHPJDWTOHAALA-RYUDHWBXSA-N 0 1 295.810 3.992 20 0 CHADMN CCCN(CCOC)Cc1cccc(C(F)(F)F)c1F ZINC001138005840 1131449895 /nfs/dbraw/zinc/44/98/95/1131449895.db2.gz QLZTYJMOBLEJMD-UHFFFAOYSA-N 0 1 293.304 3.703 20 0 CHADMN Cc1ccc(CN(C)Cc2cncnc2)c2ccccc12 ZINC001138018385 1131451535 /nfs/dbraw/zinc/45/15/35/1131451535.db2.gz VVDNWGSEVNUDTC-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Cc1ccc(CN2CCOC3(CC3)C2)c2ccccc12 ZINC001138017920 1131452060 /nfs/dbraw/zinc/45/20/60/1131452060.db2.gz AVTKFQQQGQQJHI-UHFFFAOYSA-N 0 1 267.372 3.513 20 0 CHADMN Cc1ccc(F)c(CN2CCCC[C@](C)(O)C2)c1Cl ZINC001138022889 1131453094 /nfs/dbraw/zinc/45/30/94/1131453094.db2.gz QFPZPEPHJWKNOH-HNNXBMFYSA-N 0 1 285.790 3.524 20 0 CHADMN COCC1CCN(Cc2c(Cl)ccc(C)c2F)CC1 ZINC001138030696 1131455574 /nfs/dbraw/zinc/45/55/74/1131455574.db2.gz ORPFUNSUCUKLJO-UHFFFAOYSA-N 0 1 285.790 3.646 20 0 CHADMN Cc1ccc(Cl)c(CN2CC[C@@]3(C2)CCCOC3)c1F ZINC001138035134 1131456247 /nfs/dbraw/zinc/45/62/47/1131456247.db2.gz IZOKNJDMGZNPQV-MRXNPFEDSA-N 0 1 297.801 3.790 20 0 CHADMN C[C@@]1(F)CCN(Cc2ccc(O)c3ccccc23)C[C@H]1F ZINC001138054660 1131459740 /nfs/dbraw/zinc/45/97/40/1131459740.db2.gz OFHHPUHBBYBESH-IAGOWNOFSA-N 0 1 291.341 3.817 20 0 CHADMN CCN(Cc1cc(Br)c(F)cc1F)C1CC1 ZINC001136849213 1131461985 /nfs/dbraw/zinc/46/19/85/1131461985.db2.gz BLVDPNYWNALATE-UHFFFAOYSA-N 0 1 290.151 3.712 20 0 CHADMN Clc1cccc2[nH]c(CN3CCCC34CC4)cc21 ZINC001136856423 1131462607 /nfs/dbraw/zinc/46/26/07/1131462607.db2.gz IMAOFYHFZQOGOB-UHFFFAOYSA-N 0 1 260.768 3.950 20 0 CHADMN C[C@H]1CN(Cc2c(C3CCC3)cnn2C)Cc2ccccc21 ZINC000824528980 1131472210 /nfs/dbraw/zinc/47/22/10/1131472210.db2.gz FKQJFKLMTGMDKS-AWEZNQCLSA-N 0 1 295.430 3.807 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2c[nH]nc2-c2cccs2)C1 ZINC001138150925 1131472480 /nfs/dbraw/zinc/47/24/80/1131472480.db2.gz BSBLPJSMHBXINN-OAHLLOKOSA-N 0 1 293.411 3.852 20 0 CHADMN Cc1ccn2c(CN3Cc4ccccc4[C@@H](C)C3)cnc2c1 ZINC001136885023 1131473375 /nfs/dbraw/zinc/47/33/75/1131473375.db2.gz BVDLZVOCDVCRJT-HNNXBMFYSA-N 0 1 291.398 3.762 20 0 CHADMN Cc1ccccc1CCN(C)Cc1ccnc(Cl)c1F ZINC000824555938 1131474127 /nfs/dbraw/zinc/47/41/27/1131474127.db2.gz YEUIPEUDRNXGNW-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN Clc1ccc(CN2CCC23CCCCC3)nc1 ZINC001136925527 1131480111 /nfs/dbraw/zinc/48/01/11/1131480111.db2.gz CPIXKMLHQZEYGH-UHFFFAOYSA-N 0 1 250.773 3.644 20 0 CHADMN C[C@@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)[C@@H]1C ZINC001138244138 1131481152 /nfs/dbraw/zinc/48/11/52/1131481152.db2.gz XZNVMUABACCSBM-GHMZBOCLSA-N 0 1 281.783 3.689 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)O[C@H](C)CC(C)C)n[nH]1 ZINC000831260748 1131481783 /nfs/dbraw/zinc/48/17/83/1131481783.db2.gz VNBZMRXPRQOBLS-QJPTWQEYSA-N 0 1 296.415 3.540 20 0 CHADMN C[C@@H]1CN(Cc2c3ccccc3[nH]c2C(C)(C)C)CCO1 ZINC001138310461 1131488202 /nfs/dbraw/zinc/48/82/02/1131488202.db2.gz JYZYSXQVCMRPSR-CYBMUJFWSA-N 0 1 286.419 3.686 20 0 CHADMN Cc1cccn2c(CN3CCC[C@@H]4CCCC[C@H]43)cnc12 ZINC001136964432 1131489814 /nfs/dbraw/zinc/48/98/14/1131489814.db2.gz QWKFQNQBARJKGV-DOTOQJQBSA-N 0 1 283.419 3.797 20 0 CHADMN Cc1nc[nH]c1C(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21 ZINC000825015212 1131495071 /nfs/dbraw/zinc/49/50/71/1131495071.db2.gz LYGJVZZIBNURBP-CQSZACIVSA-N 0 1 297.402 3.583 20 0 CHADMN CCc1cccc2c(CN3CCCC[C@@H]3C(C)=O)c[nH]c21 ZINC001138365973 1131495360 /nfs/dbraw/zinc/49/53/60/1131495360.db2.gz PVZCPGDIKPZTAX-QGZVFWFLSA-N 0 1 284.403 3.674 20 0 CHADMN CCc1nc(CNCC[C@H](C)c2ccccc2)co1 ZINC000825062006 1131496752 /nfs/dbraw/zinc/49/67/52/1131496752.db2.gz NBQKAQKMPQGMHB-ZDUSSCGKSA-N 0 1 258.365 3.520 20 0 CHADMN CCc1nc(CN[C@H](C)C[C@H](C)CC(C)C)co1 ZINC000825058165 1131496757 /nfs/dbraw/zinc/49/67/57/1131496757.db2.gz TWJWEOOSJHAABF-CHWSQXEVSA-N 0 1 252.402 3.787 20 0 CHADMN COc1cccc(F)c1CN(C)CCc1ccccc1 ZINC001138381487 1131497331 /nfs/dbraw/zinc/49/73/31/1131497331.db2.gz HHSLWZHITSAODK-UHFFFAOYSA-N 0 1 273.351 3.509 20 0 CHADMN CCN(Cc1c[nH]c2cccc(F)c12)Cc1cccnc1 ZINC001136983984 1131497934 /nfs/dbraw/zinc/49/79/34/1131497934.db2.gz APYJQXXMGQYEJL-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cncc(Cl)c1 ZINC001136996481 1131501527 /nfs/dbraw/zinc/50/15/27/1131501527.db2.gz KSKZJROYNBWHPG-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1cncc(Cl)c1 ZINC001136996466 1131501580 /nfs/dbraw/zinc/50/15/80/1131501580.db2.gz JSIJYXWGWJCJRY-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN CCC1CCN(Cc2cc(F)c(OC)c(F)c2)CC1 ZINC001138421214 1131502405 /nfs/dbraw/zinc/50/24/05/1131502405.db2.gz KNGHUFDJXIANJZ-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN Cc1ccc2[nH]c(CN(C)C3CC(F)(F)C3)cc2c1 ZINC001138418779 1131502714 /nfs/dbraw/zinc/50/27/14/1131502714.db2.gz GXCAUNXJGCNBQB-UHFFFAOYSA-N 0 1 264.319 3.706 20 0 CHADMN COc1c(F)cc(CN2CCC[C@@H](C)[C@H]2C)cc1F ZINC001138423946 1131504344 /nfs/dbraw/zinc/50/43/44/1131504344.db2.gz HPHYYDLOZUFZKF-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN Cc1c2ccccc2sc1CN1CC[C@@](C)(O)[C@@H](F)C1 ZINC001138461588 1131508173 /nfs/dbraw/zinc/50/81/73/1131508173.db2.gz DVNRLOOEOUOFDK-JKSUJKDBSA-N 0 1 293.407 3.505 20 0 CHADMN COc1ccc(-c2ccc(CN3CC[C@H](F)C3)cc2)cc1 ZINC001138515244 1131515075 /nfs/dbraw/zinc/51/50/75/1131515075.db2.gz MAUFRUBIJWBTDZ-KRWDZBQOSA-N 0 1 285.362 3.906 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)CN2C3CCC2CC3)cc1 ZINC000843515135 1131515074 /nfs/dbraw/zinc/51/50/74/1131515074.db2.gz ZLPFXYXLIAGAGY-IGEOTXOUSA-N 0 1 286.419 3.765 20 0 CHADMN COc1ccc(F)c(CN2C[C@@H]3CCC[C@H]3C2)c1Cl ZINC001143365342 1131516253 /nfs/dbraw/zinc/51/62/53/1131516253.db2.gz LJOKUPNAXXZBBZ-QWRGUYRKSA-N 0 1 283.774 3.720 20 0 CHADMN CCCc1ccc(CN2CCC[C@@H]2c2cnccn2)s1 ZINC001138525617 1131516565 /nfs/dbraw/zinc/51/65/65/1131516565.db2.gz HCSZIKWYLALPAO-MRXNPFEDSA-N 0 1 287.432 3.828 20 0 CHADMN CC[C@@H](C)CC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831892976 1131517312 /nfs/dbraw/zinc/51/73/12/1131517312.db2.gz SVLOBYIDJVRTPJ-KGLIPLIRSA-N 0 1 291.439 3.675 20 0 CHADMN CC/C=C(\F)C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831884672 1131517852 /nfs/dbraw/zinc/51/78/52/1131517852.db2.gz JLCVFTPCMHTILD-CHDKLRHSSA-N 0 1 293.386 3.503 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC001143641554 1131520121 /nfs/dbraw/zinc/52/01/21/1131520121.db2.gz NUUHPCRIXWEBCH-DZGCQCFKSA-N 0 1 299.418 3.898 20 0 CHADMN CCC(C)(C)C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831911601 1131520446 /nfs/dbraw/zinc/52/04/46/1131520446.db2.gz VANKHKMGJZFOAW-ZDUSSCGKSA-N 0 1 291.439 3.675 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CCCCCCCC2)n1 ZINC000831926451 1131520851 /nfs/dbraw/zinc/52/08/51/1131520851.db2.gz NDUOPORCKBQFGL-CYBMUJFWSA-N 0 1 265.401 3.910 20 0 CHADMN c1cn2cc(CN3CCCCCCCC3)nc2s1 ZINC000831933224 1131520869 /nfs/dbraw/zinc/52/08/69/1131520869.db2.gz ZIIGRUDWSBTOTG-UHFFFAOYSA-N 0 1 263.410 3.552 20 0 CHADMN Clc1ncc(CN2CCCc3ccccc3CC2)s1 ZINC000831920199 1131521354 /nfs/dbraw/zinc/52/13/54/1131521354.db2.gz AEBMKHJGMDYACT-UHFFFAOYSA-N 0 1 292.835 3.787 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)/C=C\C2CCCC2)c1 ZINC000843891139 1131522582 /nfs/dbraw/zinc/52/25/82/1131522582.db2.gz PSBOVFOJSSSLGG-YFHOEESVSA-N 0 1 287.359 3.670 20 0 CHADMN COc1cc(CN2C[C@@H](C)C[C@H]2CF)ccc1OC(C)C ZINC001138571368 1131522670 /nfs/dbraw/zinc/52/26/70/1131522670.db2.gz KLCDFQWNEYVCLT-ZFWWWQNUSA-N 0 1 295.398 3.662 20 0 CHADMN Cc1ccc(C(F)(F)F)c(CN2CCCC3(COC3)C2)c1 ZINC001143672783 1131523499 /nfs/dbraw/zinc/52/34/99/1131523499.db2.gz QBGVDPLHWOYIGL-UHFFFAOYSA-N 0 1 299.336 3.626 20 0 CHADMN COc1ccc2c(C[N@@H+](C)Cc3ccc(C)nc3)c[nH]c2c1 ZINC001138591575 1131524438 /nfs/dbraw/zinc/52/44/38/1131524438.db2.gz BPPOWRZQGRLUSD-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN COc1ccc2c(CN(C)Cc3ccc(C)nc3)c[nH]c2c1 ZINC001138591575 1131524443 /nfs/dbraw/zinc/52/44/43/1131524443.db2.gz BPPOWRZQGRLUSD-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN Cc1c(F)cc(F)cc1CN1CC(c2ccccc2)C1 ZINC001143767816 1131530399 /nfs/dbraw/zinc/53/03/99/1131530399.db2.gz NNNLTXQTOFMNIZ-UHFFFAOYSA-N 0 1 273.326 3.873 20 0 CHADMN Cc1c(F)cc(F)cc1CN(C)Cc1ccccc1 ZINC001143757229 1131532084 /nfs/dbraw/zinc/53/20/84/1131532084.db2.gz UZFUGRIGMRJYRX-UHFFFAOYSA-N 0 1 261.315 3.905 20 0 CHADMN CCSc1ncc(CN(C)Cc2ccccc2C)cn1 ZINC001138655535 1131533203 /nfs/dbraw/zinc/53/32/03/1131533203.db2.gz KLRFZBQUGDPNEL-UHFFFAOYSA-N 0 1 287.432 3.529 20 0 CHADMN COC(=O)c1cccc([C@@H](C)Nc2ccc3nc[nH]c3c2)c1 ZINC001171106842 1131533651 /nfs/dbraw/zinc/53/36/51/1131533651.db2.gz AEPPWFNWJUKLKC-LLVKDONJSA-N 0 1 295.342 3.523 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC23CCCC3)c1 ZINC001138672038 1131535499 /nfs/dbraw/zinc/53/54/99/1131535499.db2.gz OVBXJEQTBUQNAG-UHFFFAOYSA-N 0 1 253.748 3.998 20 0 CHADMN Fc1ccc(-c2ccc(CN3C[C@H]4CC[C@@H]3CO4)cc2)cc1 ZINC001138684893 1131537610 /nfs/dbraw/zinc/53/76/10/1131537610.db2.gz VABIVEMVPLHZPG-RTBURBONSA-N 0 1 297.373 3.856 20 0 CHADMN c1cc2c(s1)CN(Cc1ccc3c(c1)CCCO3)CC2 ZINC001138716379 1131540260 /nfs/dbraw/zinc/54/02/60/1131540260.db2.gz FRLOFLVQKZXTCQ-UHFFFAOYSA-N 0 1 285.412 3.631 20 0 CHADMN Brc1ccc(CN2CC[C@@H]3CCC[C@@H]3C2)o1 ZINC001138904764 1131559546 /nfs/dbraw/zinc/55/95/46/1131559546.db2.gz OZPFYRUNWNPCGN-WDEREUQCSA-N 0 1 284.197 3.664 20 0 CHADMN CCCCc1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)s1 ZINC001138753494 1131546289 /nfs/dbraw/zinc/54/62/89/1131546289.db2.gz UHUYRWCMIYANRQ-TUKIKUTGSA-N 0 1 267.413 3.881 20 0 CHADMN C[C@]1(F)CCN([C@H]2CCc3cc(Cl)ccc3C2)C[C@H]1F ZINC001171116257 1131548380 /nfs/dbraw/zinc/54/83/80/1131548380.db2.gz MDCITPPVDJUQGM-XHSDSOJGSA-N 0 1 299.792 3.969 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1Cc1cccnc1F ZINC001138786403 1131548556 /nfs/dbraw/zinc/54/85/56/1131548556.db2.gz JGHBTBBSWRGTKR-INIZCTEOSA-N 0 1 270.351 3.866 20 0 CHADMN CCc1ccc(CN(C)Cc2cccc3ccnn32)cc1 ZINC001138807257 1131551298 /nfs/dbraw/zinc/55/12/98/1131551298.db2.gz BEUJEZYZEXPNCJ-UHFFFAOYSA-N 0 1 279.387 3.529 20 0 CHADMN CCOc1ccc(F)c(CN2CCC[C@H](C)[C@@H]2C)c1F ZINC001143937357 1131556073 /nfs/dbraw/zinc/55/60/73/1131556073.db2.gz KSSXJLGPQALYNW-RYUDHWBXSA-N 0 1 283.362 3.984 20 0 CHADMN CC(C)c1nc(CN(C2CCC2)C2CCOCC2)cs1 ZINC001138889281 1131558330 /nfs/dbraw/zinc/55/83/30/1131558330.db2.gz YCIGINWVZIVUJN-UHFFFAOYSA-N 0 1 294.464 3.800 20 0 CHADMN CCCOC1CCN(Cc2ccccc2OC(F)F)CC1 ZINC001138908339 1131559046 /nfs/dbraw/zinc/55/90/46/1131559046.db2.gz APXJTMJKYZVDFU-UHFFFAOYSA-N 0 1 299.361 3.679 20 0 CHADMN Fc1cccc(F)c1CCN1CCC[C@]2(CC2(F)F)C1 ZINC000844440444 1131565301 /nfs/dbraw/zinc/56/53/01/1131565301.db2.gz CPCWRLASRKLXJM-AWEZNQCLSA-N 0 1 287.300 3.629 20 0 CHADMN CCOc1c(F)cc(CN2CCC[C@@H](C)C2)cc1F ZINC001144017430 1131571748 /nfs/dbraw/zinc/57/17/48/1131571748.db2.gz KHWMRKPZJIOITK-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN CCOc1c(F)cc(CN2CC[C@H]3CCC[C@H]3C2)cc1F ZINC001144018795 1131571765 /nfs/dbraw/zinc/57/17/65/1131571765.db2.gz SYFRCLNCLAHHHM-KGLIPLIRSA-N 0 1 295.373 3.986 20 0 CHADMN C[C@@H]1CN(Cc2ccc(-c3cccs3)s2)CC[N@@H+]1C ZINC001139023777 1131573445 /nfs/dbraw/zinc/57/34/45/1131573445.db2.gz YMPUUWBQYAZGBO-GFCCVEGCSA-N 0 1 292.473 3.613 20 0 CHADMN C[C@@H]1CN(Cc2ccc(-c3cccs3)s2)CCN1C ZINC001139023777 1131573450 /nfs/dbraw/zinc/57/34/50/1131573450.db2.gz YMPUUWBQYAZGBO-GFCCVEGCSA-N 0 1 292.473 3.613 20 0 CHADMN C[C@H](NCc1nnc(C(C)(C)C)o1)[C@H]1CCC[C@H](C)C1 ZINC000832691241 1131577245 /nfs/dbraw/zinc/57/72/45/1131577245.db2.gz ODKCXOQOBMSVCZ-AVGNSLFASA-N 0 1 279.428 3.672 20 0 CHADMN Clc1ccc2c(c1)CC[C@@H](N1CCc3ncccc3C1)C2 ZINC001171131303 1131579396 /nfs/dbraw/zinc/57/93/96/1131579396.db2.gz WKONKOHWGGNJMW-QGZVFWFLSA-N 0 1 298.817 3.651 20 0 CHADMN CCn1ccc2ccc(CN3CCc4ccncc4C3)cc21 ZINC001139124859 1131584296 /nfs/dbraw/zinc/58/42/96/1131584296.db2.gz VOUPMSWCJMQJNI-UHFFFAOYSA-N 0 1 291.398 3.615 20 0 CHADMN COc1cc(O)ccc1CN(C)C/C=C/c1ccccc1 ZINC001139143248 1131585358 /nfs/dbraw/zinc/58/53/58/1131585358.db2.gz LOJISLLFLMYIPG-RMKNXTFCSA-N 0 1 283.371 3.546 20 0 CHADMN Cc1c(O)cccc1CN1CCSc2ccccc2C1 ZINC001144122005 1131587663 /nfs/dbraw/zinc/58/76/63/1131587663.db2.gz SCJNLDQSRMJZKF-UHFFFAOYSA-N 0 1 285.412 3.809 20 0 CHADMN Cc1ccc([C@H]2CCCN2CN2C(=O)CC23CCCC3)cc1 ZINC000844683503 1131593321 /nfs/dbraw/zinc/59/33/21/1131593321.db2.gz VMIKGEZKXQPFEQ-QGZVFWFLSA-N 0 1 298.430 3.635 20 0 CHADMN CC1(C)CN(Cc2[nH]nc3ccc(F)cc32)CCC1(F)F ZINC001144191595 1131595950 /nfs/dbraw/zinc/59/59/50/1131595950.db2.gz SXWNUJZUSRWFOA-UHFFFAOYSA-N 0 1 297.324 3.569 20 0 CHADMN CCc1ccc(CN(C)Cc2[nH]nc3ccc(F)cc32)cc1 ZINC001144201646 1131596459 /nfs/dbraw/zinc/59/64/59/1131596459.db2.gz CRGNTUGBWVRKSO-UHFFFAOYSA-N 0 1 297.377 3.896 20 0 CHADMN CCc1ccc(CN(C)Cc2n[nH]c3ccc(F)cc32)cc1 ZINC001144201646 1131596461 /nfs/dbraw/zinc/59/64/61/1131596461.db2.gz CRGNTUGBWVRKSO-UHFFFAOYSA-N 0 1 297.377 3.896 20 0 CHADMN c1ccc(Oc2ccc(CN3CCCCC3)cn2)cc1 ZINC001139243918 1131598793 /nfs/dbraw/zinc/59/87/93/1131598793.db2.gz HVASSDWZHZLNEO-UHFFFAOYSA-N 0 1 268.360 3.860 20 0 CHADMN Cc1cc(OCc2ncccn2)c2c(n1)[C@H](C(C)C)CCC2 ZINC000844768377 1131599094 /nfs/dbraw/zinc/59/90/94/1131599094.db2.gz BUAMARAGYUZJDU-AWEZNQCLSA-N 0 1 297.402 3.835 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc2cc(O)ccc2c1 ZINC001139337085 1131602567 /nfs/dbraw/zinc/60/25/67/1131602567.db2.gz ISUGFOVBYOSHNQ-UHFFFAOYSA-N 0 1 278.355 3.572 20 0 CHADMN O=c1ccc(CN2CCC[C@H]2c2ccc(Cl)cc2)c[nH]1 ZINC001139468587 1131610054 /nfs/dbraw/zinc/61/00/54/1131610054.db2.gz JXXNJOROGGDUGR-HNNXBMFYSA-N 0 1 288.778 3.778 20 0 CHADMN F[C@H]1CN(Cc2ccc(-c3ccccc3)nc2)C[C@@H]2C[C@@H]21 ZINC001139520464 1131612326 /nfs/dbraw/zinc/61/23/26/1131612326.db2.gz IYUZUPFAQCOQLR-ULQDDVLXSA-N 0 1 282.362 3.538 20 0 CHADMN Cc1cccc2nc(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)[nH]c21 ZINC001144287778 1131613682 /nfs/dbraw/zinc/61/36/82/1131613682.db2.gz LQWWMMIGAJYASR-AGIUHOORSA-N 0 1 283.375 3.636 20 0 CHADMN Clc1ccnc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001139565316 1131617016 /nfs/dbraw/zinc/61/70/16/1131617016.db2.gz VQSWHBLLGAKGJJ-BETUJISGSA-N 0 1 284.790 3.822 20 0 CHADMN CC[N@@H+](Cc1cn2c(cccc2F)n1)Cc1ccc(C)cc1 ZINC001139572141 1131617729 /nfs/dbraw/zinc/61/77/29/1131617729.db2.gz MEPPAMNVAGNPKJ-UHFFFAOYSA-N 0 1 297.377 3.804 20 0 CHADMN CCN(Cc1cn2c(cccc2F)n1)Cc1ccc(C)cc1 ZINC001139572141 1131617732 /nfs/dbraw/zinc/61/77/32/1131617732.db2.gz MEPPAMNVAGNPKJ-UHFFFAOYSA-N 0 1 297.377 3.804 20 0 CHADMN Fc1cccc2nc(CN3CCCC4(CCCC4)C3)cn21 ZINC001139570794 1131617844 /nfs/dbraw/zinc/61/78/44/1131617844.db2.gz NRODINVEIHIMNO-UHFFFAOYSA-N 0 1 287.382 3.630 20 0 CHADMN Cc1cnc(Cl)c(CN2CCC[C@H](C)[C@H]2C)c1 ZINC001139589899 1131618163 /nfs/dbraw/zinc/61/81/63/1131618163.db2.gz KLIKFZOZCMBPBH-NWDGAFQWSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1cnc(Cl)c(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1 ZINC001139587975 1131618185 /nfs/dbraw/zinc/61/81/85/1131618185.db2.gz HJWVWKCGIGFMJF-TXEJJXNPSA-N 0 1 286.753 3.521 20 0 CHADMN Cc1cnc(Cl)c(CN(C)C[C@H]2CC2(C)C)c1 ZINC001139596411 1131619934 /nfs/dbraw/zinc/61/99/34/1131619934.db2.gz ZTCATQCZXWDZNO-GFCCVEGCSA-N 0 1 252.789 3.521 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](C)Cc1cnccc1OC ZINC001139610633 1131621894 /nfs/dbraw/zinc/62/18/94/1131621894.db2.gz ROHQGGVAOYGJKE-INIZCTEOSA-N 0 1 270.376 3.673 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1cnccc1OC ZINC001139610633 1131621896 /nfs/dbraw/zinc/62/18/96/1131621896.db2.gz ROHQGGVAOYGJKE-INIZCTEOSA-N 0 1 270.376 3.673 20 0 CHADMN CN(Cc1ccc(O)cc1C(F)(F)F)C1CC(F)(F)C1 ZINC001144381332 1131623533 /nfs/dbraw/zinc/62/35/33/1131623533.db2.gz NUPZKJLKACZMNG-UHFFFAOYSA-N 0 1 295.251 3.641 20 0 CHADMN c1cc2c(o1)CCN(Cc1ccc(-c3cccnc3)cc1)C2 ZINC001139644917 1131625874 /nfs/dbraw/zinc/62/58/74/1131625874.db2.gz VJMACSBQUDOLJY-UHFFFAOYSA-N 0 1 290.366 3.900 20 0 CHADMN CC(C)c1csc(SCc2n[nH]c(C(C)C)n2)n1 ZINC000845331510 1131627410 /nfs/dbraw/zinc/62/74/10/1131627410.db2.gz WVCCVCAURCCHEX-UHFFFAOYSA-N 0 1 282.438 3.800 20 0 CHADMN CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1CC1(CC)COC1 ZINC001202962966 1131631429 /nfs/dbraw/zinc/63/14/29/1131631429.db2.gz RXMJOPDWYPTZHZ-HZPDHXFCSA-N 0 1 283.456 3.676 20 0 CHADMN CC[C@@H]1CO[C@](C)(CCC(C)C)N1CC1(CC)COC1 ZINC001202962966 1131631431 /nfs/dbraw/zinc/63/14/31/1131631431.db2.gz RXMJOPDWYPTZHZ-HZPDHXFCSA-N 0 1 283.456 3.676 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(Cl)cnc1OC ZINC001139749096 1131634356 /nfs/dbraw/zinc/63/43/56/1131634356.db2.gz LOSJZHQSKXOWNB-CYBMUJFWSA-N 0 1 268.788 3.508 20 0 CHADMN COc1ncc(Cl)cc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC001139749862 1131634407 /nfs/dbraw/zinc/63/44/07/1131634407.db2.gz MFWMXKSEKAIPSS-WFASDCNBSA-N 0 1 294.826 3.898 20 0 CHADMN COc1ncc(Cl)cc1CN1CCC[C@@H](C)[C@H](C)C1 ZINC001139744785 1131634701 /nfs/dbraw/zinc/63/47/01/1131634701.db2.gz SLDZKVPPTBXWGW-VXGBXAGGSA-N 0 1 282.815 3.612 20 0 CHADMN COc1ncc(Cl)cc1CN1CCCCCCC1 ZINC001139749514 1131634792 /nfs/dbraw/zinc/63/47/92/1131634792.db2.gz CRUGVHOPNVYUDI-UHFFFAOYSA-N 0 1 268.788 3.510 20 0 CHADMN FC(F)c1ccccc1CN1CCCC[C@H](F)C1 ZINC001139795180 1131636752 /nfs/dbraw/zinc/63/67/52/1131636752.db2.gz BVAPIQFTTLCMFQ-LBPRGKRZSA-N 0 1 257.299 3.948 20 0 CHADMN Cc1ccc([C@@H](C)C(=O)Nc2nc3cccc(C)c3[nH]2)cc1 ZINC001144443160 1131637214 /nfs/dbraw/zinc/63/72/14/1131637214.db2.gz WHVSNFKHIBYFCO-CYBMUJFWSA-N 0 1 293.370 3.922 20 0 CHADMN COc1ncc(CN(Cc2ccccc2)C(C)C)cc1F ZINC001144451424 1131638471 /nfs/dbraw/zinc/63/84/71/1131638471.db2.gz VMZSXZQVYCMDJT-UHFFFAOYSA-N 0 1 288.366 3.640 20 0 CHADMN Fc1cc(CN(Cc2ccccn2)C2CCCCC2)ccn1 ZINC001139834628 1131640193 /nfs/dbraw/zinc/64/01/93/1131640193.db2.gz QRULCCYEPITXQB-UHFFFAOYSA-N 0 1 299.393 3.951 20 0 CHADMN Cn1c(CN2CCC[C@](C)(F)C2)cc2ccccc21 ZINC001139867495 1131642065 /nfs/dbraw/zinc/64/20/65/1131642065.db2.gz CPXXMZXGOCXBMD-INIZCTEOSA-N 0 1 260.356 3.502 20 0 CHADMN Cn1c(CN2C[C@H]3CC[C@@H](C2)C3(F)F)cc2ccccc21 ZINC001139867856 1131642482 /nfs/dbraw/zinc/64/24/82/1131642482.db2.gz RWADYDRQNYBPMR-OKILXGFUSA-N 0 1 290.357 3.655 20 0 CHADMN COc1cc(Cl)cc(CN2CCC(CF)CC2)c1 ZINC001144488934 1131644687 /nfs/dbraw/zinc/64/46/87/1131644687.db2.gz ZKEKNUKFGVGYIK-UHFFFAOYSA-N 0 1 271.763 3.530 20 0 CHADMN O=C1CC[N@@H+](Cc2ccccc2C2CC2)[C@@H]2CCCC[C@H]12 ZINC001139880068 1131645244 /nfs/dbraw/zinc/64/52/44/1131645244.db2.gz XFCOSIWRMADPRY-ZWKOTPCHSA-N 0 1 283.415 3.898 20 0 CHADMN O=C1CCN(Cc2ccccc2C2CC2)[C@@H]2CCCC[C@H]12 ZINC001139880068 1131645245 /nfs/dbraw/zinc/64/52/45/1131645245.db2.gz XFCOSIWRMADPRY-ZWKOTPCHSA-N 0 1 283.415 3.898 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1CN1CCC[C@@]2(CCO2)C1 ZINC001139887684 1131646322 /nfs/dbraw/zinc/64/63/22/1131646322.db2.gz YBFADPONDIXDMZ-OAHLLOKOSA-N 0 1 299.336 3.769 20 0 CHADMN Fc1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c2ccccc12 ZINC001139890195 1131647635 /nfs/dbraw/zinc/64/76/35/1131647635.db2.gz QMCYEIYVSVEMSN-NUTKFTJISA-N 0 1 273.326 3.769 20 0 CHADMN CCN(Cc1ccc2c(cnn2C)c1)Cc1ccccc1F ZINC001139951994 1131653059 /nfs/dbraw/zinc/65/30/59/1131653059.db2.gz FLAZULMRAYBVQV-UHFFFAOYSA-N 0 1 297.377 3.735 20 0 CHADMN c1ccc2c(c1)CN(Cc1ccccc1-c1cncnc1)C2 ZINC001140016508 1131655670 /nfs/dbraw/zinc/65/56/70/1131655670.db2.gz MYQNJXFNOALAKK-UHFFFAOYSA-N 0 1 287.366 3.659 20 0 CHADMN C[N@@H+](Cc1cc(O)ccc1F)C(C)(C)Cc1ccccc1 ZINC001140052042 1131658594 /nfs/dbraw/zinc/65/85/94/1131658594.db2.gz CQFZHMDEIGJWFE-UHFFFAOYSA-N 0 1 287.378 3.984 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1F ZINC001140048824 1131658982 /nfs/dbraw/zinc/65/89/82/1131658982.db2.gz RDLILNBTQIEYSM-ZDUSSCGKSA-N 0 1 251.345 3.686 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2cc(O)ccc2F)CC1 ZINC001140053252 1131660143 /nfs/dbraw/zinc/66/01/43/1131660143.db2.gz XFMYYOVYIHMUOW-AULYBMBSSA-N 0 1 251.345 3.542 20 0 CHADMN COc1c(Cl)cccc1CN1CCC2(CCC2)C1 ZINC001140062101 1131660911 /nfs/dbraw/zinc/66/09/11/1131660911.db2.gz JVMDJZMHLGKIFH-UHFFFAOYSA-N 0 1 265.784 3.725 20 0 CHADMN O=C(Nc1ccc(Nc2ccncc2)cc1)C1CCCCC1 ZINC001144588616 1131661852 /nfs/dbraw/zinc/66/18/52/1131661852.db2.gz AJTPNLQAPPQOIR-UHFFFAOYSA-N 0 1 295.386 3.766 20 0 CHADMN O=C1CCN(Cc2cccc3cnccc32)[C@H]2CCCC[C@@H]12 ZINC001140140801 1131666270 /nfs/dbraw/zinc/66/62/70/1131666270.db2.gz LRTOXFLTWMJVBH-MSOLQXFVSA-N 0 1 294.398 3.568 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1ccc(O)cc1F ZINC001140129350 1131666422 /nfs/dbraw/zinc/66/64/22/1131666422.db2.gz BLHXWFSLBSMDDC-UHFFFAOYSA-N 0 1 273.351 3.862 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1ncn2ccccc12 ZINC001144624931 1131667099 /nfs/dbraw/zinc/66/70/99/1131667099.db2.gz WHNVLNUXNGWEFA-KRWDZBQOSA-N 0 1 279.387 3.917 20 0 CHADMN c1nc(CN2CCC[C@@H]2c2ccccc2)c2ccccn12 ZINC001144623418 1131669391 /nfs/dbraw/zinc/66/93/91/1131669391.db2.gz VPAAGKRIFNDSBF-QGZVFWFLSA-N 0 1 277.371 3.671 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCC3(C2)CCCCC3)cc1F ZINC001144663572 1131676378 /nfs/dbraw/zinc/67/63/78/1131676378.db2.gz GMUJPAGMEDYQKO-UHFFFAOYSA-N 0 1 281.346 3.827 20 0 CHADMN CC(C)[N@@H+](Cc1sccc1C(=O)[O-])Cc1ccccc1 ZINC001144665352 1131676921 /nfs/dbraw/zinc/67/69/21/1131676921.db2.gz SBJCYSDRGLJWDL-UHFFFAOYSA-N 0 1 289.400 3.857 20 0 CHADMN COc1ccc(Nc2ccc3nccn3c2)cc1OC(C)C ZINC001203011730 1131677270 /nfs/dbraw/zinc/67/72/70/1131677270.db2.gz FABDZTOJAFNOBB-UHFFFAOYSA-N 0 1 297.358 3.874 20 0 CHADMN C[N@@H+](Cc1sccc1C(=O)[O-])Cc1cccc(Cl)c1 ZINC001144671072 1131678317 /nfs/dbraw/zinc/67/83/17/1131678317.db2.gz XKTRMXGIYUFDDM-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN Oc1cccc2[nH]cc(CN3CC[C@@H]3c3ccccc3)c21 ZINC001140235908 1131679626 /nfs/dbraw/zinc/67/96/26/1131679626.db2.gz SMZAPGXHNRXSQG-MRXNPFEDSA-N 0 1 278.355 3.821 20 0 CHADMN Oc1cccc2[nH]cc(CN3CCC(C(F)(F)F)CC3)c21 ZINC001140230389 1131680126 /nfs/dbraw/zinc/68/01/26/1131680126.db2.gz QUNNFISCAWYTQK-UHFFFAOYSA-N 0 1 298.308 3.648 20 0 CHADMN CCCN(CCC)c1ccc(N[C@H]2CCOC2)cc1 ZINC000846058226 1131680246 /nfs/dbraw/zinc/68/02/46/1131680246.db2.gz OBQCLVYCQRGTCR-HNNXBMFYSA-N 0 1 262.397 3.514 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCCc3nc(C)ncc32)cs1 ZINC000834588391 1131685467 /nfs/dbraw/zinc/68/54/67/1131685467.db2.gz BEYYCBSKNZDYIE-NHYWBVRUSA-N 0 1 287.432 3.883 20 0 CHADMN CC[C@H](NCc1c(C)cccc1F)c1ccncc1 ZINC000834602077 1131687920 /nfs/dbraw/zinc/68/79/20/1131687920.db2.gz ISIJRTIPHCCTEW-INIZCTEOSA-N 0 1 258.340 3.770 20 0 CHADMN FC1(F)C[C@@]12CCCN(Cc1cc3ccccc3[nH]1)C2 ZINC000846105048 1131690185 /nfs/dbraw/zinc/69/01/85/1131690185.db2.gz PNOVZEJCKMZADM-OAHLLOKOSA-N 0 1 276.330 3.789 20 0 CHADMN C[N@@H+](CCC1CC1)Cc1cc(F)c(F)cc1Cl ZINC001144729314 1131692869 /nfs/dbraw/zinc/69/28/69/1131692869.db2.gz JOWQCVLJMFZVNA-UHFFFAOYSA-N 0 1 259.727 3.850 20 0 CHADMN CN(CCC1CC1)Cc1cc(F)c(F)cc1Cl ZINC001144729314 1131692872 /nfs/dbraw/zinc/69/28/72/1131692872.db2.gz JOWQCVLJMFZVNA-UHFFFAOYSA-N 0 1 259.727 3.850 20 0 CHADMN Cc1cccn2c([C@H](C)Nc3cc(C)c(C)cn3)cnc12 ZINC001160688384 1131694980 /nfs/dbraw/zinc/69/49/80/1131694980.db2.gz OYNPKBQTIOVWTH-AWEZNQCLSA-N 0 1 280.375 3.828 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCC[C@H](C(F)(F)F)C3)c2c1 ZINC001140330918 1131699595 /nfs/dbraw/zinc/69/95/95/1131699595.db2.gz PNAUFDQYUCDPNG-NSHDSACASA-N 0 1 297.324 3.646 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCC[C@@H](C(F)(F)F)C3)c2c1 ZINC001140330917 1131699725 /nfs/dbraw/zinc/69/97/25/1131699725.db2.gz PNAUFDQYUCDPNG-LLVKDONJSA-N 0 1 297.324 3.646 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC000846281564 1131705211 /nfs/dbraw/zinc/70/52/11/1131705211.db2.gz ZSTUNMIHMIXPSC-RHSMWYFYSA-N 0 1 289.419 3.570 20 0 CHADMN O=C([O-])[C@]12CCC[C@@H]1C[N@@H+](Cc1cccc3ccccc31)C2 ZINC000846283841 1131705601 /nfs/dbraw/zinc/70/56/01/1131705601.db2.gz IEMRSMHWYJWFMV-APWZRJJASA-N 0 1 295.382 3.527 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCCc3c(F)cccc32)n(C)n1 ZINC000834815484 1131707652 /nfs/dbraw/zinc/70/76/52/1131707652.db2.gz WCVMAVZOOMRHKR-BLLLJJGKSA-N 0 1 287.382 3.596 20 0 CHADMN Cc1ccc([C@@H](N[C@@H]2CCn3ccnc32)C2CCC2)cc1 ZINC000834832530 1131708565 /nfs/dbraw/zinc/70/85/65/1131708565.db2.gz PSNCRIYKFBDTNT-SJORKVTESA-N 0 1 281.403 3.767 20 0 CHADMN CC(C)[C@@H]1CN(Cc2ccc(-c3ccccn3)cc2)CCO1 ZINC001140381471 1131710297 /nfs/dbraw/zinc/71/02/97/1131710297.db2.gz BKGIZLPVFMVXNY-IBGZPJMESA-N 0 1 296.414 3.605 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)CC1(Br)CC1 ZINC000846758774 1131723262 /nfs/dbraw/zinc/72/32/62/1131723262.db2.gz IGDRIBBWHBNMHC-SNVBAGLBSA-N 0 1 286.188 3.746 20 0 CHADMN COC1CCC(CNc2ccc3cnccc3c2)CC1 ZINC000846749354 1131727861 /nfs/dbraw/zinc/72/78/61/1131727861.db2.gz HZCMMZMOYUGHKO-UHFFFAOYSA-N 0 1 270.376 3.852 20 0 CHADMN COc1ccc(C)cc1CN[C@@H](C)c1ccc(Cl)nc1 ZINC000772952189 1131728173 /nfs/dbraw/zinc/72/81/73/1131728173.db2.gz QFBDZNOQVFSOLU-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN F[C@@H]1CN(Cc2c[nH]c3cccc(Cl)c23)C[C@@H]2C[C@@H]21 ZINC001140433206 1131734463 /nfs/dbraw/zinc/73/44/63/1131734463.db2.gz SJJGMUYFDHFKOG-XHVZSJERSA-N 0 1 278.758 3.611 20 0 CHADMN CC(C)(C)[C@@H]1CCCN1Cc1cnc(Cl)c(F)c1 ZINC000846797960 1131741263 /nfs/dbraw/zinc/74/12/63/1131741263.db2.gz GDULGZWAHBEKJV-LBPRGKRZSA-N 0 1 270.779 3.885 20 0 CHADMN Cc1ccccc1CN(C)Cc1nc(Cl)ccc1C ZINC001140448136 1131742073 /nfs/dbraw/zinc/74/20/73/1131742073.db2.gz TXNZJQMQDMMQOR-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN F[C@@H]1CN(Cc2ccccc2-c2nccs2)C[C@@H]2C[C@@H]21 ZINC001140450307 1131743644 /nfs/dbraw/zinc/74/36/44/1131743644.db2.gz PCABAIYPTFNJOT-AEGPPILISA-N 0 1 288.391 3.600 20 0 CHADMN CCN(CC1(Br)CC1)[C@@H](C)c1cccc(O)c1 ZINC000846812528 1131744414 /nfs/dbraw/zinc/74/44/14/1131744414.db2.gz VILBAHRCYRUOOE-NSHDSACASA-N 0 1 298.224 3.703 20 0 CHADMN C[C@H](CN(C)Cc1cnc(Cl)c(F)c1)c1nccs1 ZINC000846852983 1131751217 /nfs/dbraw/zinc/75/12/17/1131751217.db2.gz NXHUMZDUERKCLD-SECBINFHSA-N 0 1 299.802 3.566 20 0 CHADMN CCOc1cc(F)c(O[C@@H]2CCCN(C(C)C)C2)c(F)c1 ZINC001227850382 1131751523 /nfs/dbraw/zinc/75/15/23/1131751523.db2.gz PXKKFOSRCRWTTQ-GFCCVEGCSA-N 0 1 299.361 3.615 20 0 CHADMN C[C@@H](NCc1cnsn1)C1(c2ccccc2)CCCC1 ZINC000846860661 1131751776 /nfs/dbraw/zinc/75/17/76/1131751776.db2.gz LMBFJXUDZOSVPA-CYBMUJFWSA-N 0 1 287.432 3.528 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Cl)cc2Br)C1 ZINC001140482674 1131761613 /nfs/dbraw/zinc/76/16/13/1131761613.db2.gz STNXZALLOXUEHA-SECBINFHSA-N 0 1 288.616 3.944 20 0 CHADMN CC(=O)C1CCN([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000846943804 1131761733 /nfs/dbraw/zinc/76/17/33/1131761733.db2.gz NRZKJZPJELTKMY-MRXNPFEDSA-N 0 1 277.795 3.628 20 0 CHADMN CC(=O)C1CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000846943782 1131761903 /nfs/dbraw/zinc/76/19/03/1131761903.db2.gz NJTOEVWDLZKQOJ-IHWYPQMZSA-N 0 1 277.795 3.654 20 0 CHADMN CC(=O)C1CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000846948129 1131762284 /nfs/dbraw/zinc/76/22/84/1131762284.db2.gz LZQQBWSBUNVYEY-NSHDSACASA-N 0 1 265.784 3.702 20 0 CHADMN C[C@@]12CN(Cc3cnc(Cl)c(F)c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000846949314 1131764451 /nfs/dbraw/zinc/76/44/51/1131764451.db2.gz MEVHTCKGMJHJCN-IATRGZMQSA-N 0 1 292.785 3.518 20 0 CHADMN C[N@@H+](C/C=C/c1ccccc1)Cc1ccccc1C(=O)[O-] ZINC001140503702 1131770538 /nfs/dbraw/zinc/77/05/38/1131770538.db2.gz IIYWBRADYQRUOM-JXMROGBWSA-N 0 1 281.355 3.530 20 0 CHADMN Cl/C=C/CN1CCC(c2ccc3cccnc3n2)CC1 ZINC000847035567 1131770955 /nfs/dbraw/zinc/77/09/55/1131770955.db2.gz QAJJTPOPISQALW-KRXBUXKQSA-N 0 1 287.794 3.562 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@@H]1c1ccccc1F ZINC001140506682 1131772138 /nfs/dbraw/zinc/77/21/38/1131772138.db2.gz ZYUXLEDFUDXUNH-QGZVFWFLSA-N 0 1 299.345 3.861 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1c(F)cc(F)cc1F ZINC001140536259 1131781783 /nfs/dbraw/zinc/78/17/83/1131781783.db2.gz OPEWAZQKMMGSAQ-CQSZACIVSA-N 0 1 257.299 3.724 20 0 CHADMN CN(Cc1cc(F)cc(Cl)c1)C1CC(F)(F)C1 ZINC001140535412 1131782452 /nfs/dbraw/zinc/78/24/52/1131782452.db2.gz JLJXORMRHTUVHS-UHFFFAOYSA-N 0 1 263.690 3.709 20 0 CHADMN Fc1cc(Cl)cc(CN2CC[C@H](COCC3CC3)C2)c1 ZINC001140542214 1131785349 /nfs/dbraw/zinc/78/53/49/1131785349.db2.gz HWECROPATBDVGE-ZDUSSCGKSA-N 0 1 297.801 3.728 20 0 CHADMN O=C(Nc1c(Cl)ccc(O)c1Cl)C1CC=CC1 ZINC001146698661 1131793444 /nfs/dbraw/zinc/79/34/44/1131793444.db2.gz XNTIKOQVZNJURX-UHFFFAOYSA-N 0 1 272.131 3.604 20 0 CHADMN C[C@]1(CF)CCN(Cc2cccc(F)c2Cl)C1 ZINC001140560083 1131793764 /nfs/dbraw/zinc/79/37/64/1131793764.db2.gz KKEZDLGLAMTGHN-CYBMUJFWSA-N 0 1 259.727 3.661 20 0 CHADMN CC(C)[C@H]1CCCCN1C(=O)c1ccc(Cl)c(O)c1 ZINC001146677521 1131794747 /nfs/dbraw/zinc/79/47/47/1131794747.db2.gz DOTCBYFYCHFBKW-CYBMUJFWSA-N 0 1 281.783 3.696 20 0 CHADMN COCC[C@H]1CCCCN1Cc1cccc(F)c1Cl ZINC001140562826 1131795101 /nfs/dbraw/zinc/79/51/01/1131795101.db2.gz IMKXJNJWVSDPGD-CYBMUJFWSA-N 0 1 285.790 3.870 20 0 CHADMN FC[C@@H]1CCCN(Cc2cccc(F)c2Cl)C1 ZINC001140563250 1131795283 /nfs/dbraw/zinc/79/52/83/1131795283.db2.gz RMTNKOMBGRSWJM-JTQLQIEISA-N 0 1 259.727 3.661 20 0 CHADMN Cc1ccc(Br)c(O[C@H]2CCN(C(C)C)C2)c1 ZINC001228051670 1131797132 /nfs/dbraw/zinc/79/71/32/1131797132.db2.gz CPTJJTHQADUAAR-LBPRGKRZSA-N 0 1 298.224 3.619 20 0 CHADMN CCN1CCC[C@@H](Oc2cc(C)ccc2Br)C1 ZINC001228054193 1131797244 /nfs/dbraw/zinc/79/72/44/1131797244.db2.gz ZTUYTULBEYTFMF-GFCCVEGCSA-N 0 1 298.224 3.621 20 0 CHADMN CC[C@@H](C)N(CC)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC001147110442 1131810238 /nfs/dbraw/zinc/81/02/38/1131810238.db2.gz GXGHNXJNKIHJKM-CQSZACIVSA-N 0 1 299.418 3.954 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cc(F)ccc1C)CC2 ZINC001140589347 1131813104 /nfs/dbraw/zinc/81/31/04/1131813104.db2.gz AHZSMHDXYSTTSA-UHFFFAOYSA-N 0 1 285.362 3.701 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Cl)ncc2F)C[C@@H]1C ZINC001140605914 1131825444 /nfs/dbraw/zinc/82/54/44/1131825444.db2.gz PIFBNRCXEADDAF-MNOVXSKESA-N 0 1 270.779 3.742 20 0 CHADMN C[C@H]1CN(Cc2cc(Cl)ncc2F)CCC[C@@H]1C ZINC001140605915 1131825778 /nfs/dbraw/zinc/82/57/78/1131825778.db2.gz PIFBNRCXEADDAF-QWRGUYRKSA-N 0 1 270.779 3.742 20 0 CHADMN CCc1cc(C(=O)Nc2ccc3c(C)[nH]nc3c2)cs1 ZINC001147714904 1131833864 /nfs/dbraw/zinc/83/38/64/1131833864.db2.gz ZQOXSNXALKYETF-UHFFFAOYSA-N 0 1 285.372 3.748 20 0 CHADMN C[C@H]1CN(Cc2csc3ccccc23)CCCC1=O ZINC001140636455 1131836555 /nfs/dbraw/zinc/83/65/55/1131836555.db2.gz JYYXTVFTEDYHJZ-LBPRGKRZSA-N 0 1 273.401 3.702 20 0 CHADMN CCc1cccc(O[C@@H]2CC[N@H+]([C@H](C)c3ccccn3)C2)c1 ZINC001228240771 1131836780 /nfs/dbraw/zinc/83/67/80/1131836780.db2.gz TWTXBRRZCLAIIY-CRAIPNDOSA-N 0 1 296.414 3.858 20 0 CHADMN CC(=O)c1c(OC2CCN(C)CC2)ccc2ccccc21 ZINC001228247578 1131837332 /nfs/dbraw/zinc/83/73/32/1131837332.db2.gz GAOGXMCRRGSZTM-UHFFFAOYSA-N 0 1 283.371 3.515 20 0 CHADMN O=C1CCN(Cc2cccc3ccncc32)[C@H]2CCCC[C@@H]12 ZINC001140640577 1131841479 /nfs/dbraw/zinc/84/14/79/1131841479.db2.gz PWKMZNSFZZPIJM-AEFFLSMTSA-N 0 1 294.398 3.568 20 0 CHADMN Cc1ccc(C(=O)Nc2nc3cccc(C)c3[nH]2)c(C)c1 ZINC001148239317 1131848488 /nfs/dbraw/zinc/84/84/88/1131848488.db2.gz BABMTOYRFOJMGE-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN COc1ccc(CN2Cc3cccc(C)c3C2)c(C)c1 ZINC001140673471 1131857206 /nfs/dbraw/zinc/85/72/06/1131857206.db2.gz PCBGAAGMNSFGIN-UHFFFAOYSA-N 0 1 267.372 3.828 20 0 CHADMN Cc1nc2ccc(O[C@@H](C)c3ncccc3F)cc2[nH]1 ZINC001228328437 1131859343 /nfs/dbraw/zinc/85/93/43/1131859343.db2.gz DTXCBZFGSDRFLH-VIFPVBQESA-N 0 1 271.295 3.545 20 0 CHADMN Cc1nc2ccc(O[C@@H]3CCOc4ccccc43)cc2[nH]1 ZINC001228326434 1131859413 /nfs/dbraw/zinc/85/94/13/1131859413.db2.gz IAIFROOONOQQED-QGZVFWFLSA-N 0 1 280.327 3.774 20 0 CHADMN Cc1nc2ccc(O[C@@H]3CCc4ccccc4C3)cc2[nH]1 ZINC001228328171 1131860013 /nfs/dbraw/zinc/86/00/13/1131860013.db2.gz BRWDVZUJFUWXQC-OAHLLOKOSA-N 0 1 278.355 3.808 20 0 CHADMN Cc1nc2ccc(OC[C@@H](C)Oc3ccccc3)cc2[nH]1 ZINC001228328573 1131860161 /nfs/dbraw/zinc/86/01/61/1131860161.db2.gz GPCXDQNGFLURQU-GFCCVEGCSA-N 0 1 282.343 3.718 20 0 CHADMN Cc1nc2ccc(OC[C@H]3CCc4ccccc4O3)cc2[nH]1 ZINC001228327835 1131860196 /nfs/dbraw/zinc/86/01/96/1131860196.db2.gz WFTHAWIFJKIGGD-OAHLLOKOSA-N 0 1 294.354 3.644 20 0 CHADMN CCCCOc1ccc(O[C@H]2CCN(CC)C2)c(F)c1F ZINC001228386083 1131873235 /nfs/dbraw/zinc/87/32/35/1131873235.db2.gz RRFJATYUTPVFAW-LBPRGKRZSA-N 0 1 299.361 3.617 20 0 CHADMN CC(C)N(CCC(=O)c1ccccc1)Cc1ccco1 ZINC000348121070 1131885798 /nfs/dbraw/zinc/88/57/98/1131885798.db2.gz QHJXEOXKJMXSJG-UHFFFAOYSA-N 0 1 271.360 3.763 20 0 CHADMN Clc1ccc(O[C@@H]2CCC[N@@H+](Cc3cc[nH]c3)C2)cc1 ZINC001140708838 1131890645 /nfs/dbraw/zinc/89/06/45/1131890645.db2.gz KPYQBQGHOXIEED-MRXNPFEDSA-N 0 1 290.794 3.712 20 0 CHADMN Cc1nn(C)c(C)c1CN1CCC[C@H]1c1ccccc1F ZINC001203059105 1131893360 /nfs/dbraw/zinc/89/33/60/1131893360.db2.gz CFCRTFBIHAPSBK-KRWDZBQOSA-N 0 1 287.382 3.513 20 0 CHADMN Fc1ccccc1-n1ccc(CN2CCCC3(CCC3)C2)n1 ZINC000348165586 1131894216 /nfs/dbraw/zinc/89/42/16/1131894216.db2.gz FAQPRYJJORMXAM-UHFFFAOYSA-N 0 1 299.393 3.778 20 0 CHADMN COc1cccc(Cl)c1CN1CC[C@](C)(CF)C1 ZINC001140725693 1131897560 /nfs/dbraw/zinc/89/75/60/1131897560.db2.gz IRGOFWHLLRCQGY-CQSZACIVSA-N 0 1 271.763 3.530 20 0 CHADMN CC[C@@H](CO)N(Cc1ccc(Cl)o1)Cc1ccccc1 ZINC000348169264 1131898212 /nfs/dbraw/zinc/89/82/12/1131898212.db2.gz AZJZXAAQMIPTFT-AWEZNQCLSA-N 0 1 293.794 3.706 20 0 CHADMN Fc1ccc(CN2CCCC3(CCC3)C2)c(F)c1 ZINC000348169041 1131898248 /nfs/dbraw/zinc/89/82/48/1131898248.db2.gz OGZLOXMMGMRQJE-UHFFFAOYSA-N 0 1 251.320 3.731 20 0 CHADMN Fc1ccc(-n2ccc(CN3CCCC4(CCC4)C3)n2)cc1 ZINC000348169544 1131898350 /nfs/dbraw/zinc/89/83/50/1131898350.db2.gz QGISQLZSACGQPP-UHFFFAOYSA-N 0 1 299.393 3.778 20 0 CHADMN COc1cccc(Cl)c1CN1CC[C@@]2(CC2(F)F)C1 ZINC001140728862 1131898829 /nfs/dbraw/zinc/89/88/29/1131898829.db2.gz VKKLBJPFGJHYCR-CYBMUJFWSA-N 0 1 287.737 3.580 20 0 CHADMN COc1cccc(Cl)c1CN1CCC12CCCC2 ZINC001140728018 1131899634 /nfs/dbraw/zinc/89/96/34/1131899634.db2.gz HJJJVKMHHQJGKG-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN COc1cccc(Cl)c1CN(C)CC(C)(C)C ZINC001140728546 1131900415 /nfs/dbraw/zinc/90/04/15/1131900415.db2.gz DCKLPRDIIIXQAS-UHFFFAOYSA-N 0 1 255.789 3.827 20 0 CHADMN Cc1ccccc1NC(=O)[C@H](C)N1CCCC2(CCC2)C1 ZINC000348180077 1131900752 /nfs/dbraw/zinc/90/07/52/1131900752.db2.gz KDKWTEAATJRPQN-HNNXBMFYSA-N 0 1 286.419 3.588 20 0 CHADMN CCC[C@H]1CCCCN1Cc1cc(Br)ccn1 ZINC001140765558 1131909891 /nfs/dbraw/zinc/90/98/91/1131909891.db2.gz FKRDDDAOGHACNX-AWEZNQCLSA-N 0 1 297.240 3.999 20 0 CHADMN Cc1cc(F)ccc1CN1CC(C)(C)OC(C)(C)C1 ZINC001140780988 1131914617 /nfs/dbraw/zinc/91/46/17/1131914617.db2.gz MSSKOVSSURODAX-UHFFFAOYSA-N 0 1 265.372 3.524 20 0 CHADMN FC1(F)CC2(CN(Cc3coc4ccccc34)C2)C1 ZINC001140782792 1131915603 /nfs/dbraw/zinc/91/56/03/1131915603.db2.gz WESQTXBNVSAOIX-UHFFFAOYSA-N 0 1 263.287 3.664 20 0 CHADMN Fc1cc(F)c2c(c1)C[C@@H](N1CCCC[C@@H](F)C1)CC2 ZINC001171367522 1131915928 /nfs/dbraw/zinc/91/59/28/1131915928.db2.gz WKXDQEDGPWHQTJ-OCCSQVGLSA-N 0 1 283.337 3.646 20 0 CHADMN Cc1ncccc1CN(C)Cc1coc2ccccc12 ZINC001140785159 1131918383 /nfs/dbraw/zinc/91/83/83/1131918383.db2.gz QOSYSVCBHPWPRO-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN Oc1cc(Cl)cc(C[N@@H+](C2CCC2)C2CCOCC2)c1 ZINC001140793414 1131920365 /nfs/dbraw/zinc/92/03/65/1131920365.db2.gz IHYBQNHPGITHNO-UHFFFAOYSA-N 0 1 295.810 3.579 20 0 CHADMN Cc1ccc(OC(C)C)c(COc2ccc3[nH]nnc3c2)c1 ZINC001228666789 1131930411 /nfs/dbraw/zinc/93/04/11/1131930411.db2.gz IVIYRLJMGMQLPO-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN Cc1ccc([C@@H](C)Oc2ccc3[nH]nnc3c2)c(C)c1 ZINC001228667629 1131930705 /nfs/dbraw/zinc/93/07/05/1131930705.db2.gz OBFVWWYVSQHNMA-GFCCVEGCSA-N 0 1 267.332 3.715 20 0 CHADMN C[C@H](Oc1nc2cccc(Br)c2[nH]1)C1CC1 ZINC001228681401 1131932127 /nfs/dbraw/zinc/93/21/27/1131932127.db2.gz HREXPXHCSYCDRC-ZETCQYMHSA-N 0 1 281.153 3.503 20 0 CHADMN c1cc2c(cccc2CNc2cccc3[nH]nnc32)s1 ZINC001171378605 1131935206 /nfs/dbraw/zinc/93/52/06/1131935206.db2.gz GYPCZNXZJQMKEY-UHFFFAOYSA-N 0 1 280.356 3.785 20 0 CHADMN CCCN(CCC)Cc1c(F)cc(OC)cc1F ZINC001140824087 1131937956 /nfs/dbraw/zinc/93/79/56/1131937956.db2.gz XAINVPHEZXVAQK-UHFFFAOYSA-N 0 1 257.324 3.595 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cccc(F)n1)CCC2 ZINC000773084058 1131939931 /nfs/dbraw/zinc/93/99/31/1131939931.db2.gz AWFRSACNXCMRBD-INIZCTEOSA-N 0 1 270.351 3.696 20 0 CHADMN C[C@@H](NCc1cccc(F)n1)c1ccc2c(c1)CCC2 ZINC000773091345 1131943440 /nfs/dbraw/zinc/94/34/40/1131943440.db2.gz WJJGQKSDUOTQKQ-GFCCVEGCSA-N 0 1 270.351 3.560 20 0 CHADMN CC[C@@H](C)N1CCN(C(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC001140843936 1131943675 /nfs/dbraw/zinc/94/36/75/1131943675.db2.gz BRGLGGBCAQJPBF-CVEARBPZSA-N 0 1 294.483 3.536 20 0 CHADMN CC[C@@H](C)N1CCN(C(=O)CCCC[C@@H](C)CC)CC1 ZINC001140843914 1131943829 /nfs/dbraw/zinc/94/38/29/1131943829.db2.gz BMYYIENYQUOZKD-JKSUJKDBSA-N 0 1 282.472 3.536 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1[nH]cc(C)c1C ZINC001140861442 1131950138 /nfs/dbraw/zinc/95/01/38/1131950138.db2.gz HIKOYHFZKZNBME-CQSZACIVSA-N 0 1 272.392 3.833 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2ccccc2n1)c1ccc[nH]1 ZINC000773119305 1131950983 /nfs/dbraw/zinc/95/09/83/1131950983.db2.gz OBXDZEXBACPSOX-OLZOCXBDSA-N 0 1 265.360 3.975 20 0 CHADMN COc1cc(F)c([C@@H](C)N[C@H](C)c2ccc[nH]2)cc1OC ZINC000773124249 1131951297 /nfs/dbraw/zinc/95/12/97/1131951297.db2.gz WVWDFONWZPVPQE-GHMZBOCLSA-N 0 1 292.354 3.583 20 0 CHADMN CSCCN(C)Cc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001140881838 1131956947 /nfs/dbraw/zinc/95/69/47/1131956947.db2.gz ICFPOPVARLRSEX-UHFFFAOYSA-N 0 1 299.308 3.778 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cnccc1C(F)(F)F ZINC001140916439 1131963709 /nfs/dbraw/zinc/96/37/09/1131963709.db2.gz ADQBPLNBTBMKRM-LLVKDONJSA-N 0 1 272.314 3.865 20 0 CHADMN C[C@]1(F)CCCN(Cc2cnccc2C(F)(F)F)CC1 ZINC001140915637 1131964366 /nfs/dbraw/zinc/96/43/66/1131964366.db2.gz OYFXFKPKWVAHNC-ZDUSSCGKSA-N 0 1 290.304 3.815 20 0 CHADMN CCCOC(=O)[C@H](C)N1CC(C)(C)C[C@H]1c1ccccc1 ZINC001171407606 1131976814 /nfs/dbraw/zinc/97/68/14/1131976814.db2.gz MLOGEVLUDHXKQB-HOCLYGCPSA-N 0 1 289.419 3.801 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CCCC3(CCCC3)C2)cc1F ZINC001140987738 1131980220 /nfs/dbraw/zinc/98/02/20/1131980220.db2.gz BNFOUBGQFISTLF-UHFFFAOYSA-N 0 1 281.346 3.827 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)s2)C[C@H]1F ZINC001141002507 1131981332 /nfs/dbraw/zinc/98/13/32/1131981332.db2.gz BOLWYCIEDJAATH-TZMCWYRMSA-N 0 1 290.407 3.990 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(-c3ccccn3)s2)C[C@H]1F ZINC001141002507 1131981336 /nfs/dbraw/zinc/98/13/36/1131981336.db2.gz BOLWYCIEDJAATH-TZMCWYRMSA-N 0 1 290.407 3.990 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1c[nH]nc1C(F)(F)F ZINC001141015846 1131985290 /nfs/dbraw/zinc/98/52/90/1131985290.db2.gz ZVGJEIGNXAUFRQ-LLVKDONJSA-N 0 1 275.318 3.583 20 0 CHADMN CCC[C@@H](Oc1nnc2c[nH]ccc1-2)c1ccc(OC)cc1 ZINC001228995455 1131995662 /nfs/dbraw/zinc/99/56/62/1131995662.db2.gz SFZPTOHYCJXAGR-MRXNPFEDSA-N 0 1 297.358 3.887 20 0 CHADMN CCC[C@H](Oc1nnc2c[nH]ccc1-2)c1ccc(OC)cc1 ZINC001228995454 1131995705 /nfs/dbraw/zinc/99/57/05/1131995705.db2.gz SFZPTOHYCJXAGR-INIZCTEOSA-N 0 1 297.358 3.887 20 0 CHADMN CCCOc1cccc(CN[C@H](C)c2ccns2)c1 ZINC000715921580 1131996537 /nfs/dbraw/zinc/99/65/37/1131996537.db2.gz PIPOELHYLHIYRJ-GFCCVEGCSA-N 0 1 276.405 3.783 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccns1)c1ccccc1OC ZINC000715931465 1131997024 /nfs/dbraw/zinc/99/70/24/1131997024.db2.gz LGNGQLLCDYACMJ-DGCLKSJQSA-N 0 1 276.405 3.954 20 0 CHADMN C[C@@H](NCc1ccc(C2CC2)cc1)c1ccns1 ZINC000715954463 1131997530 /nfs/dbraw/zinc/99/75/30/1131997530.db2.gz NMJMHGMPGBIRPA-LLVKDONJSA-N 0 1 258.390 3.871 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2ccns2)c(C)c1 ZINC000715951415 1131998098 /nfs/dbraw/zinc/99/80/98/1131998098.db2.gz DKYVQVUGCIIEEG-CYBMUJFWSA-N 0 1 260.406 3.919 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@H](C)c2ccns2)s1 ZINC000716033277 1132001270 /nfs/dbraw/zinc/00/12/70/1132001270.db2.gz JKGTUFHOPLEVGC-HTQZYQBOSA-N 0 1 267.423 3.628 20 0 CHADMN Cc1cc(Cl)ccc1CN[C@@H](C)c1ccns1 ZINC000716036074 1132001845 /nfs/dbraw/zinc/00/18/45/1132001845.db2.gz YBFDTKUONKMLTD-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN CCCCc1nc(CN2CCC[C@@H](c3ccccn3)C2)c[nH]1 ZINC001141071690 1132002880 /nfs/dbraw/zinc/00/28/80/1132002880.db2.gz AOCLOPQATPERRJ-OAHLLOKOSA-N 0 1 298.434 3.527 20 0 CHADMN [O-]c1cccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c1Cl ZINC000716042675 1132003161 /nfs/dbraw/zinc/00/31/61/1132003161.db2.gz TXBKSPQZDMXNAE-VGPLMAKISA-N 0 1 297.851 3.809 20 0 CHADMN Cc1[nH]nc(CN[C@@H](C)c2ccccc2Cl)c1C ZINC000716468440 1132025035 /nfs/dbraw/zinc/02/50/35/1132025035.db2.gz HKOURUNXNOBITN-NSHDSACASA-N 0 1 263.772 3.531 20 0 CHADMN CCCCN(CCC)Cc1ncc(Cl)nc1Cl ZINC001141137646 1132025837 /nfs/dbraw/zinc/02/58/37/1132025837.db2.gz ZREUIMKCZQIBOF-UHFFFAOYSA-N 0 1 276.211 3.796 20 0 CHADMN c1nc2cccc(CNc3cc(OCC4CC4)ccn3)c2o1 ZINC001171456176 1132033710 /nfs/dbraw/zinc/03/37/10/1132033710.db2.gz QKHCDPVNDCLQCU-UHFFFAOYSA-N 0 1 295.342 3.624 20 0 CHADMN c1cc(OCC2CC2)cc(NCCOC2CCCCC2)n1 ZINC001171477581 1132042619 /nfs/dbraw/zinc/04/26/19/1132042619.db2.gz HEGBRXVTLANSEY-UHFFFAOYSA-N 0 1 290.407 3.632 20 0 CHADMN COc1cccc(CN2Cc3ccccc3[C@@H](C)C2)c1F ZINC001141218399 1132045787 /nfs/dbraw/zinc/04/57/87/1132045787.db2.gz NXHBOPHIMPIFKX-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)C(F)(F)F ZINC000837179754 1132048354 /nfs/dbraw/zinc/04/83/54/1132048354.db2.gz WUYBZUWAMGKOFP-GXSJLCMTSA-N 0 1 291.700 3.655 20 0 CHADMN CCc1ccccc1CN1CCc2nc(C)sc2C1 ZINC001141226710 1132049378 /nfs/dbraw/zinc/04/93/78/1132049378.db2.gz JLBFFBMMABJWNN-UHFFFAOYSA-N 0 1 272.417 3.572 20 0 CHADMN Cc1cc(Cl)ccc1CN1C[C@@H](C)C[C@H]1CF ZINC001141230283 1132052127 /nfs/dbraw/zinc/05/21/27/1132052127.db2.gz NNQQEOZBLMZSQJ-HZMBPMFUSA-N 0 1 255.764 3.828 20 0 CHADMN Cc1cccc2c1CC[C@@H](N[C@H]1CCCC1(F)F)C2 ZINC001171556989 1132053871 /nfs/dbraw/zinc/05/38/71/1132053871.db2.gz PCOUPJUNDUTYFS-HIFRSBDPSA-N 0 1 265.347 3.630 20 0 CHADMN Cc1nc2c(s1)CN([C@H]1CCc3c(C)cccc3C1)C2 ZINC001171580503 1132060156 /nfs/dbraw/zinc/06/01/56/1132060156.db2.gz VNQZDTQTQSPYTP-AWEZNQCLSA-N 0 1 284.428 3.633 20 0 CHADMN Cc1cccc(Cl)c1CN1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC001171653695 1132066803 /nfs/dbraw/zinc/06/68/03/1132066803.db2.gz NWJPEEDVORBCOQ-MRXNPFEDSA-N 0 1 294.870 3.811 20 0 CHADMN Cc1ccc(CC[C@@H](C)NCc2nccc(Cl)n2)cc1 ZINC001171662763 1132070791 /nfs/dbraw/zinc/07/07/91/1132070791.db2.gz DMRLJACTJLSWOP-CYBMUJFWSA-N 0 1 289.810 3.549 20 0 CHADMN COCC[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC001141315252 1132079800 /nfs/dbraw/zinc/07/98/00/1132079800.db2.gz WHQNRDNIPVIAFI-UHFFFAOYSA-N 0 1 289.350 3.696 20 0 CHADMN Fc1cc(F)c(CN[C@H]2Cc3cccc(F)c3C2)c(F)c1 ZINC001171777138 1132095434 /nfs/dbraw/zinc/09/54/34/1132095434.db2.gz IZVRPWUHDLHFSQ-NSHDSACASA-N 0 1 295.279 3.500 20 0 CHADMN CC(=O)[C@@H]1CCCN1Cc1cccc(-c2ccsc2)c1 ZINC001141386425 1132108813 /nfs/dbraw/zinc/10/88/13/1132108813.db2.gz IFVLRYIQTPFXPW-KRWDZBQOSA-N 0 1 285.412 3.969 20 0 CHADMN CCN(CCC1CCCC1)[C@H](C)C(=O)OC(C)(C)C ZINC001171920521 1132110001 /nfs/dbraw/zinc/11/00/01/1132110001.db2.gz IFWULOLJVDXPIN-CYBMUJFWSA-N 0 1 269.429 3.619 20 0 CHADMN COc1ccc2nc(O[C@@H](C)c3ccccc3F)[nH]c2c1 ZINC001229729508 1132110899 /nfs/dbraw/zinc/11/08/99/1132110899.db2.gz KNFBGUZRJCQCIB-JTQLQIEISA-N 0 1 286.306 3.851 20 0 CHADMN COc1ccc2nc(O[C@@H](C)c3cccs3)[nH]c2c1 ZINC001229726948 1132111572 /nfs/dbraw/zinc/11/15/72/1132111572.db2.gz MYBJFACBADKVLL-VIFPVBQESA-N 0 1 274.345 3.773 20 0 CHADMN COc1ccc2nc(O[C@H](C)c3ccc(F)cc3)[nH]c2c1 ZINC001229730463 1132111940 /nfs/dbraw/zinc/11/19/40/1132111940.db2.gz QPQOSJWPWKHQAU-SNVBAGLBSA-N 0 1 286.306 3.851 20 0 CHADMN CCC[C@H]1CCCCN1Cc1c(Cl)ccnc1OC ZINC001248794664 1132114706 /nfs/dbraw/zinc/11/47/06/1132114706.db2.gz XTXNYYUWNMMGLV-LBPRGKRZSA-N 0 1 282.815 3.898 20 0 CHADMN C[C@@H]1CCCC[C@H]1Oc1ccc(F)cc1CN(C)C ZINC001229854316 1132125168 /nfs/dbraw/zinc/12/51/68/1132125168.db2.gz LMFNQTLYHCLTDZ-IUODEOHRSA-N 0 1 265.372 3.845 20 0 CHADMN CN(C)Cc1cc(F)ccc1O[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001229859148 1132125380 /nfs/dbraw/zinc/12/53/80/1132125380.db2.gz ZOHAGLVQDOULJI-QKDCVEJESA-N 0 1 277.383 3.701 20 0 CHADMN CN(C)Cc1cc(F)ccc1O[C@@H]1CCc2ccccc2C1 ZINC001229858365 1132125999 /nfs/dbraw/zinc/12/59/99/1132125999.db2.gz MOXKTXSAWHZXKR-GOSISDBHSA-N 0 1 299.389 3.824 20 0 CHADMN CC(C)[C@H](Oc1nc[nH]c(=O)c1Cl)c1ccccc1 ZINC001230012135 1132144143 /nfs/dbraw/zinc/14/41/43/1132144143.db2.gz CKBRIHZSKZGJRO-LBPRGKRZSA-N 0 1 278.739 3.612 20 0 CHADMN C[C@@H](Oc1nc[nH]c(=O)c1Cl)c1csc(Cl)c1 ZINC001230011938 1132144620 /nfs/dbraw/zinc/14/46/20/1132144620.db2.gz BFJMNEQQGCTKRU-RXMQYKEDSA-N 0 1 291.159 3.691 20 0 CHADMN COc1ccc(CN2CC(C)(C)C2)cc1OC1CCCC1 ZINC001141513479 1132145642 /nfs/dbraw/zinc/14/56/42/1132145642.db2.gz CTSALVZYUWEPBC-UHFFFAOYSA-N 0 1 289.419 3.858 20 0 CHADMN CC1(C)C[C@@H](NCc2cc(F)c(Cl)cc2Cl)CO1 ZINC001172267102 1132148983 /nfs/dbraw/zinc/14/89/83/1132148983.db2.gz YBAODNPWLSLSQI-SECBINFHSA-N 0 1 292.181 3.790 20 0 CHADMN CC(=O)c1cc2ccccc2cc1OC1CCN(C)CC1 ZINC001230070696 1132153833 /nfs/dbraw/zinc/15/38/33/1132153833.db2.gz RONZBHZOAUCTLM-UHFFFAOYSA-N 0 1 283.371 3.515 20 0 CHADMN Cc1cc(F)c(CNC[C@H](O)c2ccsc2)c(Cl)c1 ZINC000838960186 1132160398 /nfs/dbraw/zinc/16/03/98/1132160398.db2.gz NPMPYMCPYPSRKU-AWEZNQCLSA-N 0 1 299.798 3.672 20 0 CHADMN Cc1ccc([C@@H](C)Oc2cc3cn[nH]c3cc2C)cn1 ZINC001230225038 1132162168 /nfs/dbraw/zinc/16/21/68/1132162168.db2.gz GGUFLTRNLDBOSQ-GFCCVEGCSA-N 0 1 267.332 3.715 20 0 CHADMN Cc1cc2[nH]ncc2cc1OCc1ccc(OC(C)C)nc1 ZINC001230225820 1132163518 /nfs/dbraw/zinc/16/35/18/1132163518.db2.gz ZPFXUTWYVZCNNB-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN CC[C@H](C)OCC[C@H](C)N1Cc2cccc(OC)c2C1 ZINC001172348550 1132181477 /nfs/dbraw/zinc/18/14/77/1132181477.db2.gz QRGWCWZGIXNHNI-KBPBESRZSA-N 0 1 277.408 3.605 20 0 CHADMN CC[C@H](C)OCC[C@H](C)N1CCc2ncc(Cl)cc2C1 ZINC001172348758 1132181962 /nfs/dbraw/zinc/18/19/62/1132181962.db2.gz QXLXVXFYUJNBGB-STQMWFEESA-N 0 1 296.842 3.687 20 0 CHADMN CC[C@H](C)OCC[C@H](C)N1CCc2cc(F)c(F)cc2C1 ZINC001172359163 1132186450 /nfs/dbraw/zinc/18/64/50/1132186450.db2.gz HWVJOTXHIWEVBK-STQMWFEESA-N 0 1 297.389 3.917 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)N1CCc2cc(F)c(F)cc2C1 ZINC001172359156 1132186518 /nfs/dbraw/zinc/18/65/18/1132186518.db2.gz HWVJOTXHIWEVBK-OLZOCXBDSA-N 0 1 297.389 3.917 20 0 CHADMN CCCCCC[C@H](CCC)N1CCc2cnn(C)c2C1 ZINC001172382367 1132207888 /nfs/dbraw/zinc/20/78/88/1132207888.db2.gz FBEOOBYJONJEID-INIZCTEOSA-N 0 1 277.456 3.917 20 0 CHADMN CCOCC[C@@H](C)N1CCc2c3ccccc3oc2C1 ZINC001172434081 1132208916 /nfs/dbraw/zinc/20/89/16/1132208916.db2.gz UYLKBUFVCXELTJ-CYBMUJFWSA-N 0 1 273.376 3.606 20 0 CHADMN Fc1cc2ncccc2cc1CN1CCC(C(F)F)CC1 ZINC001141631430 1132216848 /nfs/dbraw/zinc/21/68/48/1132216848.db2.gz PYIGELROGZVNDF-UHFFFAOYSA-N 0 1 294.320 3.851 20 0 CHADMN Cc1cnc(C(C)(C)NCCOc2ccccc2C)s1 ZINC000839554444 1132223873 /nfs/dbraw/zinc/22/38/73/1132223873.db2.gz YQZWOSCKSYMKHC-UHFFFAOYSA-N 0 1 290.432 3.664 20 0 CHADMN CCCC[C@@H](Oc1nncc2n[nH]cc21)c1ccccc1 ZINC001230900488 1132225280 /nfs/dbraw/zinc/22/52/80/1132225280.db2.gz ISKIIVXIXBRGSE-OAHLLOKOSA-N 0 1 282.347 3.663 20 0 CHADMN CC1=CCC[N@@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000839593001 1132225862 /nfs/dbraw/zinc/22/58/62/1132225862.db2.gz PQFVTUVWVHVRBS-UHFFFAOYSA-N 0 1 283.293 3.584 20 0 CHADMN CC1=CCCN(Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000839593001 1132225866 /nfs/dbraw/zinc/22/58/66/1132225866.db2.gz PQFVTUVWVHVRBS-UHFFFAOYSA-N 0 1 283.293 3.584 20 0 CHADMN CCN(CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1)C1CCC1 ZINC000840001424 1132244300 /nfs/dbraw/zinc/24/43/00/1132244300.db2.gz YPYZMBUYAPIMES-KRWDZBQOSA-N 0 1 298.430 3.572 20 0 CHADMN CC(C)COCC[C@@H](C)N1CCO[C@H](c2ccccc2)C1 ZINC001172467351 1132244427 /nfs/dbraw/zinc/24/44/27/1132244427.db2.gz FDOJKWQLPFNDPZ-AEFFLSMTSA-N 0 1 291.435 3.511 20 0 CHADMN CCC[C@@H](Oc1nc(Cl)nc2[nH]ncc21)C(C)(C)C ZINC001231046933 1132248017 /nfs/dbraw/zinc/24/80/17/1132248017.db2.gz IHMXGFXGBQZZHK-SECBINFHSA-N 0 1 282.775 3.600 20 0 CHADMN CCCC/C=C/[C@H](C)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047446 1132248131 /nfs/dbraw/zinc/24/81/31/1132248131.db2.gz UBQLNAINAKBYDR-UCUJLANTSA-N 0 1 280.759 3.520 20 0 CHADMN CCc1coc(CN[C@@H]2CC[C@@H](c3ccccc3)C2)n1 ZINC001172549396 1132262348 /nfs/dbraw/zinc/26/23/48/1132262348.db2.gz PJJFYIVFCKJRID-GDBMZVCRSA-N 0 1 270.376 3.663 20 0 CHADMN Cc1nc[nH]c1-c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC001212668568 1132264098 /nfs/dbraw/zinc/26/40/98/1132264098.db2.gz DWULJGWMDWEOGR-UHFFFAOYSA-N 0 1 295.129 3.742 20 0 CHADMN Cc1ccc(CN2CC=C(c3ccccc3)CC2)o1 ZINC000505772461 1132275306 /nfs/dbraw/zinc/27/53/06/1132275306.db2.gz SGAMVVRNCWYEQF-UHFFFAOYSA-N 0 1 253.345 3.877 20 0 CHADMN Cc1cnc(CN)n1[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172541085 1132277265 /nfs/dbraw/zinc/27/72/65/1132277265.db2.gz SMIKKHNTESWTDZ-CVEARBPZSA-N 0 1 269.392 3.549 20 0 CHADMN Clc1nccnc1CN[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172548726 1132282158 /nfs/dbraw/zinc/28/21/58/1132282158.db2.gz JVHSJRKEHXVXEI-KGLIPLIRSA-N 0 1 287.794 3.556 20 0 CHADMN Cc1n[nH]cc1-c1nc(-c2ccc(C)c3ccccc23)no1 ZINC001212677803 1132293123 /nfs/dbraw/zinc/29/31/23/1132293123.db2.gz QWDLWEGTQJXGQX-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN CCCC[N@@H+](CCC)Cc1cc(C(=O)[O-])ccc1F ZINC001231457375 1132295303 /nfs/dbraw/zinc/29/53/03/1132295303.db2.gz KFYWTCIEOBESNI-UHFFFAOYSA-N 0 1 267.344 3.536 20 0 CHADMN C[N@@H+](C/C=C/c1ccccc1)Cc1ccc(C(=O)[O-])s1 ZINC001231465119 1132296215 /nfs/dbraw/zinc/29/62/15/1132296215.db2.gz BXMDARRUXBYQBR-VMPITWQZSA-N 0 1 287.384 3.592 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2F)Cc2ccccc21 ZINC001231456411 1132296934 /nfs/dbraw/zinc/29/69/34/1132296934.db2.gz WYEAKBZGJRCKIA-LBPRGKRZSA-N 0 1 299.345 3.643 20 0 CHADMN Cc1cc(C)c(CN2CC3(C2)CC(F)(F)C3)cc1C ZINC001231482981 1132299057 /nfs/dbraw/zinc/29/90/57/1132299057.db2.gz VWTOBLIVYVZUGX-UHFFFAOYSA-N 0 1 265.347 3.843 20 0 CHADMN Cc1cc(C)c(CN2CC3(C2)CC(F)(F)CS3)cc1C ZINC001231486420 1132299911 /nfs/dbraw/zinc/29/99/11/1132299911.db2.gz YPMCNNKPNVHZRL-UHFFFAOYSA-N 0 1 297.414 3.938 20 0 CHADMN Cc1cc(C)c(CN2CCN(Cc3ccco3)CC2)cc1C ZINC001231484662 1132300683 /nfs/dbraw/zinc/30/06/83/1132300683.db2.gz SQNYBKBUQTWYMN-UHFFFAOYSA-N 0 1 298.430 3.523 20 0 CHADMN c1cn(C2CC2)c(NCc2ccccc2N2CCCCC2)n1 ZINC000840886734 1132301669 /nfs/dbraw/zinc/30/16/69/1132301669.db2.gz ABNWUGBKESSWGH-UHFFFAOYSA-N 0 1 296.418 3.820 20 0 CHADMN FC(F)SCc1ccc(CNc2nccn2C2CC2)o1 ZINC000840887413 1132304256 /nfs/dbraw/zinc/30/42/56/1132304256.db2.gz NQKJVFNXCFHEHI-UHFFFAOYSA-N 0 1 299.346 3.879 20 0 CHADMN CC(=O)[C@@H](N[C@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC001172710133 1132309067 /nfs/dbraw/zinc/30/90/67/1132309067.db2.gz RAPZGZSMTMNBBR-ZWKOTPCHSA-N 0 1 299.801 3.727 20 0 CHADMN CC(C)OC(=O)CC[C@H](C)N[C@@H](C)c1c(F)cccc1F ZINC001172758963 1132309730 /nfs/dbraw/zinc/30/97/30/1132309730.db2.gz IVUKEVLTTKXNDL-RYUDHWBXSA-N 0 1 299.361 3.736 20 0 CHADMN Clc1ccc2c(c1)CN(Cc1c[nH]c3cnccc13)CC2 ZINC001231514801 1132309886 /nfs/dbraw/zinc/30/98/86/1132309886.db2.gz WTGGNNPXIYIFIY-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN CC(C)Oc1ccc(CN2CCC(F)(F)C(C)(C)C2)cn1 ZINC001231531794 1132311895 /nfs/dbraw/zinc/31/18/95/1132311895.db2.gz DLZBNONKPKABKU-UHFFFAOYSA-N 0 1 298.377 3.736 20 0 CHADMN C[C@]1(CF)CCN(Cc2ccc(O)c(C(F)(F)F)c2)C1 ZINC001231523613 1132312154 /nfs/dbraw/zinc/31/21/54/1132312154.db2.gz HBVVDJPIBRDYQU-CYBMUJFWSA-N 0 1 291.288 3.593 20 0 CHADMN CCN(Cc1cc(Br)c[nH]1)Cc1ccccc1 ZINC001231572325 1132316129 /nfs/dbraw/zinc/31/61/29/1132316129.db2.gz VJNSNJPUUVSWMZ-UHFFFAOYSA-N 0 1 293.208 3.799 20 0 CHADMN NCc1ncccc1NC1CCC(Cc2ccccc2)CC1 ZINC001172819695 1132317488 /nfs/dbraw/zinc/31/74/88/1132317488.db2.gz JQFGPYLTDBECHM-UHFFFAOYSA-N 0 1 295.430 3.754 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1nc2c(s1)CCCC2 ZINC001231578647 1132317534 /nfs/dbraw/zinc/31/75/34/1132317534.db2.gz PLVPMRIQINNDOX-TXEJJXNPSA-N 0 1 264.438 3.785 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1nc2c(s1)CCCC2 ZINC001231578646 1132318177 /nfs/dbraw/zinc/31/81/77/1132318177.db2.gz PLVPMRIQINNDOX-RYUDHWBXSA-N 0 1 264.438 3.785 20 0 CHADMN Cc1ccc(-c2ccc(CN3CC[C@H](F)C3)cc2)o1 ZINC001231595951 1132320815 /nfs/dbraw/zinc/32/08/15/1132320815.db2.gz MIWKLCOVSHHBOE-HNNXBMFYSA-N 0 1 259.324 3.799 20 0 CHADMN C[C@@]1(CF)CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001231630304 1132330562 /nfs/dbraw/zinc/33/05/62/1132330562.db2.gz MDKJMTMCPXXKPE-INIZCTEOSA-N 0 1 274.339 3.523 20 0 CHADMN C[C@@]1(CF)CCN(Cc2coc(-c3ccccc3)n2)C1 ZINC001231630304 1132330569 /nfs/dbraw/zinc/33/05/69/1132330569.db2.gz MDKJMTMCPXXKPE-INIZCTEOSA-N 0 1 274.339 3.523 20 0 CHADMN Cc1sc2ccccc2c1CN1C[C@H](C)O[C@@H](C)C1 ZINC001231645793 1132333498 /nfs/dbraw/zinc/33/34/98/1132333498.db2.gz AOWLZVSPDALZQP-RYUDHWBXSA-N 0 1 275.417 3.819 20 0 CHADMN Cc1sc2ccccc2c1CN(C)Cc1ccno1 ZINC001231648058 1132334997 /nfs/dbraw/zinc/33/49/97/1132334997.db2.gz ZLOZDPITHHDZJR-UHFFFAOYSA-N 0 1 272.373 3.830 20 0 CHADMN C[C@@H](Cc1c(F)cccc1Cl)N1CC[C@@H]2CCO[C@H]2C1 ZINC001172846401 1132335453 /nfs/dbraw/zinc/33/54/53/1132335453.db2.gz FQMGJUCMSUODJQ-OZVIIMIRSA-N 0 1 297.801 3.521 20 0 CHADMN CCOc1ccc(CN2CC=C(c3ccccc3)CC2)cn1 ZINC001231657947 1132335624 /nfs/dbraw/zinc/33/56/24/1132335624.db2.gz RPGXOOFYFLUFPK-UHFFFAOYSA-N 0 1 294.398 3.770 20 0 CHADMN CC[C@@H]1COCCN1Cc1c(C)sc2ccccc21 ZINC001231649503 1132337312 /nfs/dbraw/zinc/33/73/12/1132337312.db2.gz OYGPRQKJEKXUNY-CYBMUJFWSA-N 0 1 275.417 3.821 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN1CCCCC12CC2 ZINC001142178151 1132339255 /nfs/dbraw/zinc/33/92/55/1132339255.db2.gz FLTCRWQWMLEPQP-UHFFFAOYSA-N 0 1 275.440 3.773 20 0 CHADMN C[C@@H](Cc1c(F)cccc1Cl)N1CCC[C@@]2(CCO2)C1 ZINC001172856049 1132341988 /nfs/dbraw/zinc/34/19/88/1132341988.db2.gz HJDUEXVHJXXSFP-BLLLJJGKSA-N 0 1 297.801 3.665 20 0 CHADMN c1cc2cc(CN3CC[C@H]3c3ccccc3)ncc2[nH]1 ZINC001231669897 1132343623 /nfs/dbraw/zinc/34/36/23/1132343623.db2.gz QSGRREKJVYTDAV-KRWDZBQOSA-N 0 1 263.344 3.510 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001172858895 1132344178 /nfs/dbraw/zinc/34/41/78/1132344178.db2.gz WNBVOINVAOEELM-XHBSWPGZSA-N 0 1 297.801 3.521 20 0 CHADMN CC(C)Oc1ccc(CN2C[C@H]3[C@H](CF)[C@H]3C2)cc1Cl ZINC001231714343 1132346279 /nfs/dbraw/zinc/34/62/79/1132346279.db2.gz YRQZCJSBDQSNEE-ZSOGYDGISA-N 0 1 297.801 3.775 20 0 CHADMN COc1cc(Cl)c(CN2C[C@H](C)CC23CC3)c(OC)c1 ZINC001231697594 1132348202 /nfs/dbraw/zinc/34/82/02/1132348202.db2.gz FMCZCRQLZACKFZ-LLVKDONJSA-N 0 1 295.810 3.732 20 0 CHADMN Cc1ccc(CN(C)Cc2[nH]cnc2C(C)(C)C)cc1 ZINC001142226458 1132348972 /nfs/dbraw/zinc/34/89/72/1132348972.db2.gz LGAWUVUUZKCDNU-UHFFFAOYSA-N 0 1 271.408 3.648 20 0 CHADMN Cc1nc2cc(Nc3cccc4ocnc43)ccc2[nH]1 ZINC001213074350 1132359096 /nfs/dbraw/zinc/35/90/96/1132359096.db2.gz QFPTUJKAJQRHHJ-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN CCCCc1ccc(CN2CCc3cccnc3C2)cc1 ZINC001231781774 1132359854 /nfs/dbraw/zinc/35/98/54/1132359854.db2.gz LJEBETRHMIDKHV-UHFFFAOYSA-N 0 1 280.415 3.983 20 0 CHADMN CC(C)c1ccccc1CN1CCCC(=O)[C@H](C)C1 ZINC001231873460 1132385014 /nfs/dbraw/zinc/38/50/14/1132385014.db2.gz AFILXAYRYKDHSO-CQSZACIVSA-N 0 1 259.393 3.611 20 0 CHADMN CCCN(CCC)Cc1cc(Br)ncc1F ZINC001231914021 1132398422 /nfs/dbraw/zinc/39/84/22/1132398422.db2.gz WXSRSKGFMKXCBF-UHFFFAOYSA-N 0 1 289.192 3.605 20 0 CHADMN C[C@@H](N[C@H]1COCc2ccccc21)c1ccc(Cl)nc1 ZINC000841760013 1132393437 /nfs/dbraw/zinc/39/34/37/1132393437.db2.gz JHIUSXWTUQUVJS-ABAIWWIYSA-N 0 1 288.778 3.657 20 0 CHADMN CC[C@H](C)[N@@H+](C)Cc1cnc(C(F)(F)F)cc1Cl ZINC001231899001 1132396493 /nfs/dbraw/zinc/39/64/93/1132396493.db2.gz CMALUJQSMSDXDM-QMMMGPOBSA-N 0 1 280.721 3.984 20 0 CHADMN CC[C@H](C)N(C)Cc1cnc(C(F)(F)F)cc1Cl ZINC001231899001 1132396501 /nfs/dbraw/zinc/39/65/01/1132396501.db2.gz CMALUJQSMSDXDM-QMMMGPOBSA-N 0 1 280.721 3.984 20 0 CHADMN COc1cccc2c(C[N@H+]3CCC[C@H]4CCC[C@@H]43)c[nH]c21 ZINC001231899038 1132397784 /nfs/dbraw/zinc/39/77/84/1132397784.db2.gz JVNFTMVIPUGURS-CJNGLKHVSA-N 0 1 284.403 3.941 20 0 CHADMN Cc1cc(CN(Cc2ccccc2)C2CC2)cnc1F ZINC001231925950 1132399158 /nfs/dbraw/zinc/39/91/58/1132399158.db2.gz GJPTYOFJNRPIGQ-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN Cn1cc2c(n1)CCN(C1CCC3(CCCCC3)CC1)C2 ZINC001173119282 1132399750 /nfs/dbraw/zinc/39/97/50/1132399750.db2.gz LNDYDADDXZRFBL-UHFFFAOYSA-N 0 1 287.451 3.671 20 0 CHADMN CCCCN(CC)Cc1nc(Br)ccc1F ZINC001231946630 1132402427 /nfs/dbraw/zinc/40/24/27/1132402427.db2.gz XPTDLZWWBJUWFD-UHFFFAOYSA-N 0 1 289.192 3.605 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2ncccc2Cl)CC1 ZINC001231961723 1132404041 /nfs/dbraw/zinc/40/40/41/1132404041.db2.gz WCUIGPYNUGBKRS-HAQNSBGRSA-N 0 1 252.789 3.746 20 0 CHADMN C[N@@H+](Cc1ccncc1)Cc1ccc2ccnc(Cl)c2c1 ZINC001231975609 1132405574 /nfs/dbraw/zinc/40/55/74/1132405574.db2.gz CHGWIVOJCRBOOW-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc2ccnc(Cl)c2c1 ZINC001231975609 1132405577 /nfs/dbraw/zinc/40/55/77/1132405577.db2.gz CHGWIVOJCRBOOW-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN Cc1cc(Br)cnc1C[N@@H+]1CCC[C@H]1C(C)C ZINC001232051758 1132414927 /nfs/dbraw/zinc/41/49/27/1132414927.db2.gz GQQZCKBEBGKPTL-AWEZNQCLSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1cc(Br)cnc1CN1CCC[C@H]1C(C)C ZINC001232051758 1132414930 /nfs/dbraw/zinc/41/49/30/1132414930.db2.gz GQQZCKBEBGKPTL-AWEZNQCLSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1cc(Br)cnc1C[N@@H+]1CCC[C@@H]1C(C)C ZINC001232051759 1132415405 /nfs/dbraw/zinc/41/54/05/1132415405.db2.gz GQQZCKBEBGKPTL-CQSZACIVSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1cc(Br)cnc1CN1CCC[C@@H]1C(C)C ZINC001232051759 1132415408 /nfs/dbraw/zinc/41/54/08/1132415408.db2.gz GQQZCKBEBGKPTL-CQSZACIVSA-N 0 1 297.240 3.773 20 0 CHADMN Oc1cncc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)c1 ZINC001232045699 1132415485 /nfs/dbraw/zinc/41/54/85/1132415485.db2.gz YZKXYHOXVCTVKK-KRWDZBQOSA-N 0 1 282.387 3.557 20 0 CHADMN C[C@@H]1CCCN(Cc2cccc(C(F)(F)F)n2)[C@@H]1C ZINC001232072322 1132418983 /nfs/dbraw/zinc/41/89/83/1132418983.db2.gz LFZACUBETILJEU-GHMZBOCLSA-N 0 1 272.314 3.721 20 0 CHADMN FC(F)(F)c1cccc(CN2CCC[C@@H]3CCC[C@@H]32)n1 ZINC001232071477 1132419143 /nfs/dbraw/zinc/41/91/43/1132419143.db2.gz ICSQBOHVAPNMJO-AAEUAGOBSA-N 0 1 284.325 3.865 20 0 CHADMN CCCC[C@@H](CC(C)C)N1CCCC(=O)[C@H](F)C1 ZINC001173255337 1132423609 /nfs/dbraw/zinc/42/36/09/1132423609.db2.gz HVYZFNYWBUBROG-UONOGXRCSA-N 0 1 257.393 3.594 20 0 CHADMN Clc1ccc2c(c1)CCN(Cc1cccc3[nH]cnc31)C2 ZINC001142689653 1132426784 /nfs/dbraw/zinc/42/67/84/1132426784.db2.gz LEDARBKQJQPZSU-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN COc1ccnc(Cl)c1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC001232153248 1132426898 /nfs/dbraw/zinc/42/68/98/1132426898.db2.gz JIGYMJWABCDXPR-JSGCOSHPSA-N 0 1 294.826 3.898 20 0 CHADMN C[C@H]1CN(Cc2nc(Cl)ccc2F)CCC[C@@H]1C ZINC001232156183 1132429388 /nfs/dbraw/zinc/42/93/88/1132429388.db2.gz YAJBWINPTLDPPS-QWRGUYRKSA-N 0 1 270.779 3.742 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2nc(Cl)ccc2F)CC1 ZINC001232165277 1132429826 /nfs/dbraw/zinc/42/98/26/1132429826.db2.gz XQKRHONPZVCQQN-XYPYZODXSA-N 0 1 270.779 3.885 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2nc(Cl)ccc2F)CC1 ZINC001232165277 1132429830 /nfs/dbraw/zinc/42/98/30/1132429830.db2.gz XQKRHONPZVCQQN-XYPYZODXSA-N 0 1 270.779 3.885 20 0 CHADMN CCN(Cc1cccnc1)Cc1ccnc2c(F)cccc12 ZINC001232208078 1132435767 /nfs/dbraw/zinc/43/57/67/1132435767.db2.gz CITUICUMAUFJGJ-UHFFFAOYSA-N 0 1 295.361 3.791 20 0 CHADMN C/C(Cl)=C\C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC001142732874 1132437077 /nfs/dbraw/zinc/43/70/77/1132437077.db2.gz NXZJFLQXYZOUTL-VQHVLOKHSA-N 0 1 291.782 3.942 20 0 CHADMN COc1cccc([C@H]2CCCN(Cc3cnsc3)C2)c1 ZINC001232232000 1132440845 /nfs/dbraw/zinc/44/08/45/1132440845.db2.gz ZWDQFCRGSBFCGN-HNNXBMFYSA-N 0 1 288.416 3.531 20 0 CHADMN CN(Cc1cccn1Cc1ccccc1)C[C@H]1CCCCO1 ZINC001232233659 1132441381 /nfs/dbraw/zinc/44/13/81/1132441381.db2.gz KKVHQRGTZUWUHR-LJQANCHMSA-N 0 1 298.430 3.537 20 0 CHADMN FC1(F)C[C@H]2CN(Cc3csc(Cl)c3)C[C@H]2C1 ZINC001142763366 1132442141 /nfs/dbraw/zinc/44/21/41/1132442141.db2.gz YFFUAZSVOOZJMC-AOOOYVTPSA-N 0 1 277.767 3.879 20 0 CHADMN CCCCCC[C@@H](C)c1nc(C2(N)CCCC2)no1 ZINC000842589330 1132443522 /nfs/dbraw/zinc/44/35/22/1132443522.db2.gz JEYIPFKWYDDHGS-GFCCVEGCSA-N 0 1 265.401 3.872 20 0 CHADMN Cc1ccc(CN(C)Cc2nccc3ccccc32)cn1 ZINC001232249706 1132444056 /nfs/dbraw/zinc/44/40/56/1132444056.db2.gz NGGMWVJXGBWWPT-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN CN(Cc1csc(Cl)c1)C[C@H]1Cc2ccccc2O1 ZINC001142780002 1132445810 /nfs/dbraw/zinc/44/58/10/1132445810.db2.gz BOKZYRSWNUYNAC-CYBMUJFWSA-N 0 1 293.819 3.837 20 0 CHADMN Cc1ccnc(CNCc2ccc(C)c(Cl)c2)c1 ZINC000327957168 1132448718 /nfs/dbraw/zinc/44/87/18/1132448718.db2.gz BNLSJABTAJZTAF-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN CCN(c1ccc(N[C@@H]2CO[C@H](C)C2)cc1)C(C)C ZINC000842672710 1132448791 /nfs/dbraw/zinc/44/87/91/1132448791.db2.gz ZOQBZHDCFHVTCZ-HIFRSBDPSA-N 0 1 262.397 3.511 20 0 CHADMN Cc1sc(CN2CC[C@@H](C)C2)cc1Br ZINC001232291345 1132450872 /nfs/dbraw/zinc/45/08/72/1132450872.db2.gz JDEHIWKVXRVSRO-MRVPVSSYSA-N 0 1 274.227 3.661 20 0 CHADMN Cc1cc(Br)ncc1CN1CCCCC12CC2 ZINC001232317484 1132451672 /nfs/dbraw/zinc/45/16/72/1132451672.db2.gz SQHXWFDSJPRWCG-UHFFFAOYSA-N 0 1 295.224 3.671 20 0 CHADMN CCOc1ccc(CN(Cc2ccccc2)C2CC2)c(C)n1 ZINC001232311678 1132451839 /nfs/dbraw/zinc/45/18/39/1132451839.db2.gz YOIJBOTYKURJLR-UHFFFAOYSA-N 0 1 296.414 3.953 20 0 CHADMN Cc1cc(Br)ncc1CN1CCCC[C@@H](C)C1 ZINC001232316626 1132453014 /nfs/dbraw/zinc/45/30/14/1132453014.db2.gz ZEDGYFLXAFUCQD-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN CC[C@@H]1CC[C@@H](n2c(-c3ccccc3)cnc2CN)C1 ZINC001173278259 1132453836 /nfs/dbraw/zinc/45/38/36/1132453836.db2.gz YFKIZXQQWAGLRR-UKRRQHHQSA-N 0 1 269.392 3.760 20 0 CHADMN CCc1ccc(CN(C)Cc2cnc(OC)cc2C)cc1 ZINC001232353893 1132460863 /nfs/dbraw/zinc/46/08/63/1132460863.db2.gz WRZDZSFQFLVXDL-UHFFFAOYSA-N 0 1 284.403 3.593 20 0 CHADMN COc1cc(CN2C[C@@H](C)CC23CC3)c(OC)cc1Cl ZINC001232376509 1132462966 /nfs/dbraw/zinc/46/29/66/1132462966.db2.gz YVKHPIGMZLICNU-NSHDSACASA-N 0 1 295.810 3.732 20 0 CHADMN Cc1c(F)cc(C[N@H+]2CCC23CCCC3)cc1F ZINC001232420426 1132467326 /nfs/dbraw/zinc/46/73/26/1132467326.db2.gz QCNDRQOMYCZQJC-UHFFFAOYSA-N 0 1 251.320 3.792 20 0 CHADMN Cc1c(F)cc(CN2CCC23CCCC3)cc1F ZINC001232420426 1132467330 /nfs/dbraw/zinc/46/73/30/1132467330.db2.gz QCNDRQOMYCZQJC-UHFFFAOYSA-N 0 1 251.320 3.792 20 0 CHADMN CC[N@@H+](Cc1ccc(Cl)c([O-])c1Cl)C1CC1 ZINC001232624088 1132496477 /nfs/dbraw/zinc/49/64/77/1132496477.db2.gz LZBKOLHHBQJPQG-UHFFFAOYSA-N 0 1 260.164 3.683 20 0 CHADMN O=C1N[C@H](N[C@H]2CCCC3(CCCCC3)C2)c2ccccc21 ZINC001173342205 1132468176 /nfs/dbraw/zinc/46/81/76/1132468176.db2.gz WVGDKFZLSUPFOF-YOEHRIQHSA-N 0 1 298.430 3.911 20 0 CHADMN Cc1c(F)cc(CN2CC[C@H](COCC3CC3)C2)cc1F ZINC001232424293 1132468784 /nfs/dbraw/zinc/46/87/84/1132468784.db2.gz MDAHLHRYTTWPKI-AWEZNQCLSA-N 0 1 295.373 3.522 20 0 CHADMN c1ncc2c(n1)CCN([C@@H]1CCCC3(CCCCC3)C1)C2 ZINC001173344245 1132470282 /nfs/dbraw/zinc/47/02/82/1132470282.db2.gz SKOMUBJVCZXOLU-MRXNPFEDSA-N 0 1 285.435 3.728 20 0 CHADMN FC(F)(F)c1ccc(CN2CC[C@H]3CCC[C@@H]3C2)o1 ZINC001232441366 1132471354 /nfs/dbraw/zinc/47/13/54/1132471354.db2.gz PKSICFOXGOIIKZ-GHMZBOCLSA-N 0 1 273.298 3.920 20 0 CHADMN O=C1CN([C@H]2CCCC3(CCCCC3)C2)CCC[C@@H]1F ZINC001173347161 1132473030 /nfs/dbraw/zinc/47/30/30/1132473030.db2.gz XMOBXWZBHNBMPM-GJZGRUSLSA-N 0 1 281.415 3.883 20 0 CHADMN FC(F)C1CCN(Cc2c[nH]c3nccc(Cl)c23)CC1 ZINC001232460354 1132474414 /nfs/dbraw/zinc/47/44/14/1132474414.db2.gz PLCKTCYANXSDMQ-UHFFFAOYSA-N 0 1 299.752 3.693 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@@H](CCO)c1ccccc1F ZINC000842925570 1132476503 /nfs/dbraw/zinc/47/65/03/1132476503.db2.gz YMYGMZBYRXNTCM-OALUTQOASA-N 0 1 299.389 3.835 20 0 CHADMN CCC1CCN(Cc2ccc(Cl)cc2OC)CC1 ZINC001232496556 1132479845 /nfs/dbraw/zinc/47/98/45/1132479845.db2.gz TTZBWAVGLPEHMI-UHFFFAOYSA-N 0 1 267.800 3.971 20 0 CHADMN Nc1ccc(F)cc1CN1CC=C(c2ccccc2)CC1 ZINC001232512366 1132482087 /nfs/dbraw/zinc/48/20/87/1132482087.db2.gz QDTOKBSIZMEIAR-UHFFFAOYSA-N 0 1 282.362 3.697 20 0 CHADMN COc1cc(Cl)ccc1CN1CCC(C)(C)CC1 ZINC001232499362 1132482093 /nfs/dbraw/zinc/48/20/93/1132482093.db2.gz LZKURUBWZBIIIJ-UHFFFAOYSA-N 0 1 267.800 3.971 20 0 CHADMN COc1cc(Cl)ccc1CN1CC[C@@H](C)C[C@H]1C ZINC001232501517 1132482183 /nfs/dbraw/zinc/48/21/83/1132482183.db2.gz VSMWYWMUYVRVSR-VXGBXAGGSA-N 0 1 267.800 3.969 20 0 CHADMN COc1cc(C)c(CN2CCc3sccc3C2)c(C)c1 ZINC001142933530 1132483448 /nfs/dbraw/zinc/48/34/48/1132483448.db2.gz SZGPNZRVPKBTJT-UHFFFAOYSA-N 0 1 287.428 3.932 20 0 CHADMN CN(Cc1ncc(Cl)cc1Cl)CC1CC(F)(F)C1 ZINC001232575256 1132485774 /nfs/dbraw/zinc/48/57/74/1132485774.db2.gz XXRFCDNKIKJCPB-UHFFFAOYSA-N 0 1 295.160 3.866 20 0 CHADMN CCCN(Cc1ccccc1)Cc1cc(OCC)ccn1 ZINC001232581800 1132489444 /nfs/dbraw/zinc/48/94/44/1132489444.db2.gz SORWETBNFYLTND-UHFFFAOYSA-N 0 1 284.403 3.893 20 0 CHADMN CCN(Cc1cc(OCc2ccccc2)ccn1)C1CC1 ZINC001232585218 1132489602 /nfs/dbraw/zinc/48/96/02/1132489602.db2.gz CTOPQLUBMVJMIX-UHFFFAOYSA-N 0 1 282.387 3.645 20 0 CHADMN CC[N@H+](Cc1ccc(Cl)c([O-])c1Cl)C1CC1 ZINC001232624088 1132496470 /nfs/dbraw/zinc/49/64/70/1132496470.db2.gz LZBKOLHHBQJPQG-UHFFFAOYSA-N 0 1 260.164 3.683 20 0 CHADMN COc1cccc(C)c1CN1CCc2sccc2C1 ZINC001232619636 1132497537 /nfs/dbraw/zinc/49/75/37/1132497537.db2.gz FVMSXYZMOUTANE-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN CC[C@@H](C)[N@@H+](C)Cc1cc(F)c([O-])c(Br)c1 ZINC001232631039 1132498193 /nfs/dbraw/zinc/49/81/93/1132498193.db2.gz FETAJGKOVDTIAA-MRVPVSSYSA-N 0 1 290.176 3.524 20 0 CHADMN CC[C@@H](Oc1ccccc1C)c1nc([C@H](N)C(C)C)no1 ZINC000843151396 1132498767 /nfs/dbraw/zinc/49/87/67/1132498767.db2.gz YVWJGULWJWLDHP-TZMCWYRMSA-N 0 1 289.379 3.564 20 0 CHADMN CC[C@H](Oc1ccccc1C)c1nc([C@@H](N)C(C)C)no1 ZINC000843151392 1132499064 /nfs/dbraw/zinc/49/90/64/1132499064.db2.gz YVWJGULWJWLDHP-JSGCOSHPSA-N 0 1 289.379 3.564 20 0 CHADMN CC[C@H](Sc1ccccc1)c1nc([C@H](N)C(C)C)no1 ZINC000843151261 1132499093 /nfs/dbraw/zinc/49/90/93/1132499093.db2.gz DVPWFBUPQTUUDU-QWHCGFSZSA-N 0 1 291.420 3.969 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1cccc2c1CCCC2 ZINC001232638540 1132500135 /nfs/dbraw/zinc/50/01/35/1132500135.db2.gz LRRQJSOKAQXIKT-GOSISDBHSA-N 0 1 271.404 3.509 20 0 CHADMN C[N@@H+](Cc1cc(F)c([O-])c(Br)c1)C(C)(C)C ZINC001232639335 1132500647 /nfs/dbraw/zinc/50/06/47/1132500647.db2.gz IXMVPPUBFHYPHO-UHFFFAOYSA-N 0 1 290.176 3.524 20 0 CHADMN Cc1nc(CN2CCC[C@@H](C)CC2)ccc1Br ZINC001232661207 1132502002 /nfs/dbraw/zinc/50/20/02/1132502002.db2.gz HRWHGXOLLVYVHG-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN CC(C)(c1noc(-c2ccc(CN)o2)n1)C1CCCCC1 ZINC000843222748 1132504617 /nfs/dbraw/zinc/50/46/17/1132504617.db2.gz VRQVXUXQKFQBOI-UHFFFAOYSA-N 0 1 289.379 3.646 20 0 CHADMN CCC[C@H]1CCCCN1Cc1ccc(Br)[nH]1 ZINC001232687577 1132504908 /nfs/dbraw/zinc/50/49/08/1132504908.db2.gz HHLUKMXHAFOKQN-LBPRGKRZSA-N 0 1 285.229 3.932 20 0 CHADMN Cc1cc(O)cc(-c2cc(N3CCCCC3)ccn2)c1 ZINC001206211017 1132505029 /nfs/dbraw/zinc/50/50/29/1132505029.db2.gz FVTYQERBQFKFLS-UHFFFAOYSA-N 0 1 268.360 3.753 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(Br)[nH]2)C[C@@H]1C ZINC001232684169 1132505019 /nfs/dbraw/zinc/50/50/19/1132505019.db2.gz LZGNWGFOIVQNLF-MNOVXSKESA-N 0 1 285.229 3.645 20 0 CHADMN CCCN[C@H](C)c1nc(Cc2ccc(Cl)cc2C)no1 ZINC000843223831 1132506022 /nfs/dbraw/zinc/50/60/22/1132506022.db2.gz WEVQPYUBSUQSKO-LLVKDONJSA-N 0 1 293.798 3.683 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1cc2ccc(Cl)cc2[nH]1 ZINC001232727566 1132510732 /nfs/dbraw/zinc/51/07/32/1132510732.db2.gz DMXFFNQTUAHLNR-OKILXGFUSA-N 0 1 288.778 3.517 20 0 CHADMN CN(CCC(C)(C)C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC001143185819 1132515339 /nfs/dbraw/zinc/51/53/39/1132515339.db2.gz KLFDCCONDSLRGY-UHFFFAOYSA-N 0 1 291.439 3.966 20 0 CHADMN CCN(Cc1cccc(Cl)c1)Cc1ccc(C)nc1N ZINC001143208387 1132518937 /nfs/dbraw/zinc/51/89/37/1132518937.db2.gz WYQNANHLYGKULV-UHFFFAOYSA-N 0 1 289.810 3.648 20 0 CHADMN C[C@]1(F)CCC[N@H+](Cc2cccc([O-])c2Cl)CC1 ZINC001232783808 1132519612 /nfs/dbraw/zinc/51/96/12/1132519612.db2.gz CPJNAKSHAJNHBH-AWEZNQCLSA-N 0 1 271.763 3.760 20 0 CHADMN C[C@]1(F)CCC[N@@H+](Cc2cccc([O-])c2Cl)CC1 ZINC001232783808 1132519619 /nfs/dbraw/zinc/51/96/19/1132519619.db2.gz CPJNAKSHAJNHBH-AWEZNQCLSA-N 0 1 271.763 3.760 20 0 CHADMN Cc1cc(CN2CCC3(CCOCC3)CC2)c(F)cc1F ZINC001232786477 1132521034 /nfs/dbraw/zinc/52/10/34/1132521034.db2.gz MIZJVQXQEMZIHJ-UHFFFAOYSA-N 0 1 295.373 3.666 20 0 CHADMN CC[C@@H](C)N(C)Cc1ccc(C(F)(F)F)nc1Cl ZINC001232791275 1132521855 /nfs/dbraw/zinc/52/18/55/1132521855.db2.gz NVJFMQXKEZRUJI-MRVPVSSYSA-N 0 1 280.721 3.984 20 0 CHADMN Cc1cc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(F)cc1F ZINC001232784701 1132522275 /nfs/dbraw/zinc/52/22/75/1132522275.db2.gz NYYRRESFSFRDQC-TXEJJXNPSA-N 0 1 287.300 3.750 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cc(O)cc(OC)c1 ZINC001232806958 1132522949 /nfs/dbraw/zinc/52/29/49/1132522949.db2.gz LNHJKOCXXQFMNR-UHFFFAOYSA-N 0 1 289.350 3.562 20 0 CHADMN CCCn1cnc(CN2CCC(Cc3ccccc3)CC2)c1 ZINC001232796114 1132523291 /nfs/dbraw/zinc/52/32/91/1132523291.db2.gz UUBBZSMVJWFING-UHFFFAOYSA-N 0 1 297.446 3.748 20 0 CHADMN CCCn1cnc(CN2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC001232798457 1132525024 /nfs/dbraw/zinc/52/50/24/1132525024.db2.gz GWBYTEJZJQVCJQ-SFHVURJKSA-N 0 1 297.446 3.748 20 0 CHADMN CCCN(Cc1cn(CCC)cn1)Cc1ccccc1 ZINC001232798519 1132525124 /nfs/dbraw/zinc/52/51/24/1132525124.db2.gz JNKHNLRXKXAKQT-UHFFFAOYSA-N 0 1 271.408 3.705 20 0 CHADMN CCCn1cnc(CN(C)CCc2ccccc2Cl)c1 ZINC001232803532 1132525207 /nfs/dbraw/zinc/52/52/07/1132525207.db2.gz OBOWRXSTHNOYCI-UHFFFAOYSA-N 0 1 291.826 3.621 20 0 CHADMN CCOc1ccc(CN2CC[C@@H]3CCC[C@@H]3C2)c(F)c1F ZINC001143270097 1132526511 /nfs/dbraw/zinc/52/65/11/1132526511.db2.gz WDBYMZPWZDUXFD-QWHCGFSZSA-N 0 1 295.373 3.986 20 0 CHADMN F[C@@H]1CCCCN(Cc2c[nH]c3cc(Cl)ncc23)C1 ZINC001232817410 1132527566 /nfs/dbraw/zinc/52/75/66/1132527566.db2.gz BFLCVWMMRUQSKE-LLVKDONJSA-N 0 1 281.762 3.540 20 0 CHADMN COc1cc(CN2C3CCCC2CCC3)c(OC)cc1C ZINC001232836694 1132527879 /nfs/dbraw/zinc/52/78/79/1132527879.db2.gz VMVCSTRKNQXOMS-UHFFFAOYSA-N 0 1 289.419 3.919 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1cc(Br)co1 ZINC001232855436 1132530330 /nfs/dbraw/zinc/53/03/30/1132530330.db2.gz CBVAMWGFKHNOKK-LBPRGKRZSA-N 0 1 272.186 3.663 20 0 CHADMN COc1c(F)ccc(CN2CCC[C@H](C)[C@@H]2C)c1F ZINC001143318782 1132534135 /nfs/dbraw/zinc/53/41/35/1132534135.db2.gz ZNAGVKJXOHKMIZ-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1cc(C)cc(O)c1)CC2 ZINC001232880741 1132535041 /nfs/dbraw/zinc/53/50/41/1132535041.db2.gz RLPUZHYBYAPQCW-UHFFFAOYSA-N 0 1 267.372 3.567 20 0 CHADMN C[C@H]1c2cccn2CCN1Cc1ccccc1-n1cccc1 ZINC001232912510 1132543131 /nfs/dbraw/zinc/54/31/31/1132543131.db2.gz ORGLITHWQCGHAV-INIZCTEOSA-N 0 1 291.398 3.856 20 0 CHADMN O=C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1-n1cccc1 ZINC001232911590 1132543210 /nfs/dbraw/zinc/54/32/10/1132543210.db2.gz WFFJXCPSYQDWPJ-CALCHBBNSA-N 0 1 294.398 3.563 20 0 CHADMN c1nc2ccc(CN3CCSc4ccccc4C3)cc2o1 ZINC001232944032 1132547495 /nfs/dbraw/zinc/54/74/95/1132547495.db2.gz LOVPQMFGJJKGOJ-UHFFFAOYSA-N 0 1 296.395 3.936 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1ccc3ncoc3c1)C2 ZINC001232946393 1132547926 /nfs/dbraw/zinc/54/79/26/1132547926.db2.gz YZWYNPRSCPNFFG-UHFFFAOYSA-N 0 1 278.355 3.695 20 0 CHADMN c1nc2ccc(CN3CCC[C@H]3c3ccncc3)cc2o1 ZINC001232942481 1132548175 /nfs/dbraw/zinc/54/81/75/1132548175.db2.gz ZRAQPPIVNUWSDH-INIZCTEOSA-N 0 1 279.343 3.560 20 0 CHADMN Cn1ncc2cc(Nc3ccc(Cl)c(O)c3F)ccc21 ZINC001214799156 1132553565 /nfs/dbraw/zinc/55/35/65/1132553565.db2.gz OFESSPIAQFOGQY-UHFFFAOYSA-N 0 1 291.713 3.815 20 0 CHADMN CN(Cc1cnc2ccccn12)Cc1ccc(C2CC2)cc1 ZINC001232984641 1132555047 /nfs/dbraw/zinc/55/50/47/1132555047.db2.gz PEFDRPVBHQMEOY-UHFFFAOYSA-N 0 1 291.398 3.844 20 0 CHADMN CCN(C)Cc1ccc(OC(F)(F)F)cc1Cl ZINC001232990862 1132557714 /nfs/dbraw/zinc/55/77/14/1132557714.db2.gz AGBGLKLHCVNJTG-UHFFFAOYSA-N 0 1 267.678 3.690 20 0 CHADMN F[C@@H]1CSC2(CN(Cc3ccc(C4CC4)cc3)C2)C1 ZINC001232986300 1132558910 /nfs/dbraw/zinc/55/89/10/1132558910.db2.gz MPTIFMLNDQXZDO-HNNXBMFYSA-N 0 1 277.408 3.593 20 0 CHADMN Cc1cccc(CN(C)Cc2cnc(C)cc2C)c1 ZINC001233008050 1132563136 /nfs/dbraw/zinc/56/31/36/1132563136.db2.gz LQQTWIAJYWEOLD-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c1F ZINC001233053294 1132566861 /nfs/dbraw/zinc/56/68/61/1132566861.db2.gz NOISDGFMDMLVBI-OCCSQVGLSA-N 0 1 263.356 3.686 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c1F ZINC001233053294 1132566863 /nfs/dbraw/zinc/56/68/63/1132566863.db2.gz NOISDGFMDMLVBI-OCCSQVGLSA-N 0 1 263.356 3.686 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC001151253590 1132567338 /nfs/dbraw/zinc/56/73/38/1132567338.db2.gz YLTQVPPIOQCUOV-HRCADAONSA-N 0 1 282.472 3.534 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c1F ZINC001233054533 1132567763 /nfs/dbraw/zinc/56/77/63/1132567763.db2.gz RCGDNTCBEVPCHW-CHWSQXEVSA-N 0 1 263.356 3.543 20 0 CHADMN [O-]c1cccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1F ZINC001233054533 1132567768 /nfs/dbraw/zinc/56/77/68/1132567768.db2.gz RCGDNTCBEVPCHW-CHWSQXEVSA-N 0 1 263.356 3.543 20 0 CHADMN Cc1cc(CN2CC[C@H]2c2ccccc2)cnc1C ZINC001233161188 1132575397 /nfs/dbraw/zinc/57/53/97/1132575397.db2.gz WBTBPFUEDORROY-KRWDZBQOSA-N 0 1 252.361 3.645 20 0 CHADMN CC(C)(C)c1cccc(NC(=O)c2ccn3cncc3c2)c1 ZINC001151903013 1132576345 /nfs/dbraw/zinc/57/63/45/1132576345.db2.gz XEWWHXCPAQBOQN-UHFFFAOYSA-N 0 1 293.370 3.884 20 0 CHADMN CC[C@@H](C)N(C)Cc1cc(Cl)cnc1OC(C)C ZINC001233167058 1132576821 /nfs/dbraw/zinc/57/68/21/1132576821.db2.gz IOMXSCGFAMIYRY-LLVKDONJSA-N 0 1 270.804 3.753 20 0 CHADMN CC(C)Oc1ncc(Cl)cc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC001233164849 1132577011 /nfs/dbraw/zinc/57/70/11/1132577011.db2.gz KPDWFGBOVXQUPK-BETUJISGSA-N 0 1 294.826 3.754 20 0 CHADMN CSCCN(C)Cc1csc(C(F)(F)F)c1 ZINC001233177192 1132579675 /nfs/dbraw/zinc/57/96/75/1132579675.db2.gz JFCOBYLIXWZPJA-UHFFFAOYSA-N 0 1 269.357 3.562 20 0 CHADMN CCCCCC[N@@H+](C)CC(=O)N1CCCCC[C@H]1C(C)C ZINC001152611572 1132585097 /nfs/dbraw/zinc/58/50/97/1132585097.db2.gz ANEGYHJPEHTVBU-KRWDZBQOSA-N 0 1 296.499 3.926 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC001152815152 1132586966 /nfs/dbraw/zinc/58/69/66/1132586966.db2.gz ITYWUYAIYCZILL-JYJNAYRXSA-N 0 1 282.472 3.534 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC001152804828 1132587015 /nfs/dbraw/zinc/58/70/15/1132587015.db2.gz GNNUWSKGBGJXNK-ZOBUZTSGSA-N 0 1 282.472 3.534 20 0 CHADMN Cc1ccc(CN2CCCC[C@H]2c2cccnc2)cc1O ZINC001233233956 1132587200 /nfs/dbraw/zinc/58/72/00/1132587200.db2.gz WZVANDHCYONQKP-KRWDZBQOSA-N 0 1 282.387 3.823 20 0 CHADMN Cc1ccc(CN2CC[C@H]2c2ccccc2)cc1O ZINC001233234044 1132587335 /nfs/dbraw/zinc/58/73/35/1132587335.db2.gz JHDGLFHCDNLDOB-INIZCTEOSA-N 0 1 253.345 3.648 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H]2CCC=CCCC2)c1 ZINC001152947512 1132587785 /nfs/dbraw/zinc/58/77/85/1132587785.db2.gz UUXSXBSBIWYTRM-CYBMUJFWSA-N 0 1 287.359 3.670 20 0 CHADMN COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233258618 1132590160 /nfs/dbraw/zinc/59/01/60/1132590160.db2.gz MDUXSOGBLBAJHK-OAHLLOKOSA-N 0 1 299.439 3.973 20 0 CHADMN [S-]c1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC001233261749 1132591190 /nfs/dbraw/zinc/59/11/90/1132591190.db2.gz BZALSVDVXQDWIY-MRXNPFEDSA-N 0 1 255.386 3.922 20 0 CHADMN [S-]c1ccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC001233261406 1132591220 /nfs/dbraw/zinc/59/12/20/1132591220.db2.gz OAHIHQTZSPBZKO-OAHLLOKOSA-N 0 1 284.428 3.750 20 0 CHADMN COc1cccc([C@@H]2CC[N@@H+](Cc3ccc([S-])cc3)C2)c1 ZINC001233262763 1132591973 /nfs/dbraw/zinc/59/19/73/1132591973.db2.gz UCTFNPJXBFPRTP-MRXNPFEDSA-N 0 1 299.439 3.973 20 0 CHADMN C[N@@H+](CC/C=C/c1cccnc1)Cc1ccc([S-])cc1 ZINC001233262122 1132593839 /nfs/dbraw/zinc/59/38/39/1132593839.db2.gz RLXKWDOXUUEQFQ-GORDUTHDSA-N 0 1 284.428 3.906 20 0 CHADMN CC[C@H](CC(F)(F)F)NC(=O)c1ccc(Cl)c(O)c1 ZINC001153724065 1132599436 /nfs/dbraw/zinc/59/94/36/1132599436.db2.gz RTNWNXOOSHDIHX-MRVPVSSYSA-N 0 1 295.688 3.506 20 0 CHADMN F[C@@H]1CCN(Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001233329817 1132602351 /nfs/dbraw/zinc/60/23/51/1132602351.db2.gz LZHARUPSOKRHSF-GOSISDBHSA-N 0 1 269.363 3.821 20 0 CHADMN CN(Cc1cc2cccnc2s1)C1CC(F)(F)C1 ZINC001233345009 1132605862 /nfs/dbraw/zinc/60/58/62/1132605862.db2.gz BYCNMBXAYFYPNB-UHFFFAOYSA-N 0 1 268.332 3.526 20 0 CHADMN Cc1cccc2ncc(Nc3cc(F)cc(F)c3)n21 ZINC001173913901 1132609446 /nfs/dbraw/zinc/60/94/46/1132609446.db2.gz JLWMFIGWCVUPOT-UHFFFAOYSA-N 0 1 259.259 3.665 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1cnc2cccc(Cl)n12 ZINC001233355778 1132609847 /nfs/dbraw/zinc/60/98/47/1132609847.db2.gz MDCIEVJLMYPWEI-VXGBXAGGSA-N 0 1 277.799 3.751 20 0 CHADMN Clc1cccc2ncc(C[N@H+]3CCC34CCCCC4)n21 ZINC001233356252 1132609861 /nfs/dbraw/zinc/60/98/61/1132609861.db2.gz GELZXFYWFDYJIJ-UHFFFAOYSA-N 0 1 289.810 3.896 20 0 CHADMN Clc1cccc2ncc(CN3CCC34CCCCC4)n21 ZINC001233356252 1132609863 /nfs/dbraw/zinc/60/98/63/1132609863.db2.gz GELZXFYWFDYJIJ-UHFFFAOYSA-N 0 1 289.810 3.896 20 0 CHADMN Clc1cccc2ncc(CN3CCC[C@@H]4CCC[C@@H]43)n21 ZINC001233359416 1132610447 /nfs/dbraw/zinc/61/04/47/1132610447.db2.gz VWIHHXKWKUFZOL-JSGCOSHPSA-N 0 1 289.810 3.752 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1ccc(N)cc1Cl)C2 ZINC001233377869 1132612835 /nfs/dbraw/zinc/61/28/35/1132612835.db2.gz WKELZMCZWLGRNR-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN Clc1ncnc(Cl)c1CN1C2CCCC1CCC2 ZINC001233411703 1132618520 /nfs/dbraw/zinc/61/85/20/1132618520.db2.gz OPLVLXMZHRHERP-UHFFFAOYSA-N 0 1 286.206 3.690 20 0 CHADMN Clc1nc2[nH]cnc2c(N[C@@H](c2ccccc2)C2CC2)n1 ZINC001154642996 1132619576 /nfs/dbraw/zinc/61/95/76/1132619576.db2.gz SNZRUKLUHDFGMY-NSHDSACASA-N 0 1 299.765 3.570 20 0 CHADMN Clc1cccn2cc(CN3C[C@@H]4CCCC[C@H]4C3)nc12 ZINC001233420306 1132621779 /nfs/dbraw/zinc/62/17/79/1132621779.db2.gz HRKLCAFDSDDFGT-STQMWFEESA-N 0 1 289.810 3.610 20 0 CHADMN Cc1oc2ccc(NC(=O)C(C)(C)c3cnc[nH]3)cc2c1C ZINC001154715109 1132622047 /nfs/dbraw/zinc/62/20/47/1132622047.db2.gz VXWQAERLZFHGMU-UHFFFAOYSA-N 0 1 297.358 3.689 20 0 CHADMN F[C@@H]1CN(Cc2ccc3nc(Cl)ccc3c2)C[C@@H]2C[C@@H]21 ZINC001233442740 1132623953 /nfs/dbraw/zinc/62/39/53/1132623953.db2.gz DQWATMCORWFEMS-MELADBBJSA-N 0 1 290.769 3.678 20 0 CHADMN COc1ccc(C(C)(C)C)cc1Nc1ccncc1 ZINC001173882791 1132624069 /nfs/dbraw/zinc/62/40/69/1132624069.db2.gz UPSGBEZMAPTZIP-UHFFFAOYSA-N 0 1 256.349 3.553 20 0 CHADMN Clc1cc(Cl)c(Nc2ccncc2)c(Cl)n1 ZINC001173882334 1132624097 /nfs/dbraw/zinc/62/40/97/1132624097.db2.gz NYBWNEYGZNHGHW-UHFFFAOYSA-N 0 1 274.538 3.602 20 0 CHADMN CCN(Cc1ccc(C)c(C)c1)Cc1cncc(Cl)n1 ZINC001233450785 1132624348 /nfs/dbraw/zinc/62/43/48/1132624348.db2.gz JSSHDPCCQCMSGN-UHFFFAOYSA-N 0 1 289.810 3.769 20 0 CHADMN Cc1cccc(Nc2ccncc2)c1NC(=O)OC(C)(C)C ZINC001173884989 1132624694 /nfs/dbraw/zinc/62/46/94/1132624694.db2.gz BJKNXSGTWIWMFL-UHFFFAOYSA-N 0 1 299.374 3.903 20 0 CHADMN Nc1ccccc1N(c1ccncc1)C1CCCC1 ZINC001173885034 1132624953 /nfs/dbraw/zinc/62/49/53/1132624953.db2.gz FKTYNYMWTSVNLI-UHFFFAOYSA-N 0 1 253.349 3.745 20 0 CHADMN CC(C)(C)COc1ccc(Nc2ccncc2)cc1 ZINC001173884314 1132625638 /nfs/dbraw/zinc/62/56/38/1132625638.db2.gz MZSSNIDSXQRPBA-UHFFFAOYSA-N 0 1 256.349 3.672 20 0 CHADMN Clc1cncc(CN2CC[C@H](C3CCCCC3)C2)n1 ZINC001233449995 1132625649 /nfs/dbraw/zinc/62/56/49/1132625649.db2.gz ARNFJIWSDHQOPN-ZDUSSCGKSA-N 0 1 279.815 3.532 20 0 CHADMN Cc1cc(C(=O)OC(C)(C)C)ccc1Nc1ccncc1 ZINC001173883679 1132625857 /nfs/dbraw/zinc/62/58/57/1132625857.db2.gz QFXQUUPKNUQMFG-UHFFFAOYSA-N 0 1 284.359 3.511 20 0 CHADMN F[C@H]1CCC[N@@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001233444501 1132626403 /nfs/dbraw/zinc/62/64/03/1132626403.db2.gz SSVSLLSDMOHSRV-ZDUSSCGKSA-N 0 1 278.758 3.822 20 0 CHADMN F[C@H]1CCCN(Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001233444501 1132626410 /nfs/dbraw/zinc/62/64/10/1132626410.db2.gz SSVSLLSDMOHSRV-ZDUSSCGKSA-N 0 1 278.758 3.822 20 0 CHADMN CC(C)Oc1ccnc(N[C@@H]2CCCC[C@H]2F)c1 ZINC001155062884 1132638468 /nfs/dbraw/zinc/63/84/68/1132638468.db2.gz SQULPKZHZFORHX-CHWSQXEVSA-N 0 1 252.333 3.561 20 0 CHADMN CC(=O)c1ccc(F)c(Nc2ccccc2CN(C)C)c1 ZINC001173932045 1132644600 /nfs/dbraw/zinc/64/46/00/1132644600.db2.gz MWPWEZDVZQYVTO-UHFFFAOYSA-N 0 1 286.350 3.834 20 0 CHADMN Cc1ccc(CNc2nccc3cccc(C)c32)cn1 ZINC001155320579 1132653148 /nfs/dbraw/zinc/65/31/48/1132653148.db2.gz PQFVDZNNPQZHAR-UHFFFAOYSA-N 0 1 263.344 3.859 20 0 CHADMN CCOc1ccnc(N2Cc3ccccc3C(C)(C)C2)c1 ZINC001155468490 1132657782 /nfs/dbraw/zinc/65/77/82/1132657782.db2.gz NPKLCLKBBINNGM-UHFFFAOYSA-N 0 1 282.387 3.778 20 0 CHADMN Cc1cccc(Nc2ccc(N3CCN(C)CC3)cc2)c1C ZINC001173954269 1132661288 /nfs/dbraw/zinc/66/12/88/1132661288.db2.gz SJCOJMHWYROSKG-UHFFFAOYSA-N 0 1 295.430 3.799 20 0 CHADMN Clc1ncc(Br)cc1NC1=CCCC1 ZINC001173996796 1132668664 /nfs/dbraw/zinc/66/86/64/1132668664.db2.gz DTGMMEIFKWVELJ-UHFFFAOYSA-N 0 1 273.561 3.977 20 0 CHADMN COc1ccc(CCCNc2ccc(C)c(C)n2)cc1 ZINC001156166951 1132684960 /nfs/dbraw/zinc/68/49/60/1132684960.db2.gz OKCQTKAALNEKCQ-UHFFFAOYSA-N 0 1 270.376 3.752 20 0 CHADMN Cc1cnc(NCc2cnc3ccccc3c2)cc1C ZINC001156176599 1132686301 /nfs/dbraw/zinc/68/63/01/1132686301.db2.gz QCYBNLUWTGSKOA-UHFFFAOYSA-N 0 1 263.344 3.859 20 0 CHADMN C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(Cl)c(O)c2)[C@H]1C ZINC001156207934 1132687800 /nfs/dbraw/zinc/68/78/00/1132687800.db2.gz VUOCKEOABCRZAT-MDZLAQPJSA-N 0 1 295.810 3.848 20 0 CHADMN Cc1cc2ccccc2c(NCc2ccc3nonc3c2)n1 ZINC001156265215 1132689288 /nfs/dbraw/zinc/68/92/88/1132689288.db2.gz AJJKZFUZNZFEGV-UHFFFAOYSA-N 0 1 290.326 3.692 20 0 CHADMN Oc1cccc2sc(Nc3ccnc4ccccc43)nc21 ZINC001174037665 1132701730 /nfs/dbraw/zinc/70/17/30/1132701730.db2.gz YMZMFLLVIGGIRZ-UHFFFAOYSA-N 0 1 293.351 3.716 20 0 CHADMN COc1ccnc(NCc2ccccc2C2CC2)c1 ZINC001156537682 1132703004 /nfs/dbraw/zinc/70/30/04/1132703004.db2.gz VVCRNFJVRZBLSC-UHFFFAOYSA-N 0 1 254.333 3.580 20 0 CHADMN COc1cc2c(ccn2-c2ccnc3ccccc32)c(N)c1 ZINC001174039730 1132703195 /nfs/dbraw/zinc/70/31/95/1132703195.db2.gz YZXYWNCWGZXYHO-UHFFFAOYSA-N 0 1 289.338 3.770 20 0 CHADMN Cc1ccc(NC2CC(C)(C)N(O)C(C)(C)C2)nc1C ZINC001156887202 1132713799 /nfs/dbraw/zinc/71/37/99/1132713799.db2.gz PRIADZCUIRYUKN-UHFFFAOYSA-N 0 1 277.412 3.521 20 0 CHADMN COc1ccc2c(ccnc2NC2(C3CCOCC3)CC2)c1 ZINC001156918065 1132714747 /nfs/dbraw/zinc/71/47/47/1132714747.db2.gz SGQXYYKJOPCWOO-UHFFFAOYSA-N 0 1 298.386 3.615 20 0 CHADMN COCc1ccccc1Nc1cc(C)nc2ccccc21 ZINC001174104771 1132722240 /nfs/dbraw/zinc/72/22/40/1132722240.db2.gz ZMDJUMSKCDPWQO-UHFFFAOYSA-N 0 1 278.355 3.855 20 0 CHADMN CCOc1ccnc(N[C@H](c2ccccn2)C(F)(F)F)c1 ZINC001157684560 1132739170 /nfs/dbraw/zinc/73/91/70/1132739170.db2.gz PUKXLIBPWHTLNQ-CYBMUJFWSA-N 0 1 297.280 3.591 20 0 CHADMN CCCC[C@H](CC)CC(=O)N1CCN([C@@H](C)CC)CC1 ZINC001158145236 1132765170 /nfs/dbraw/zinc/76/51/70/1132765170.db2.gz LLLLGUUAZCUOIZ-HOTGVXAUSA-N 0 1 282.472 3.536 20 0 CHADMN COc1cc(Nc2ccc3nccn3c2)ccc1Cl ZINC001174279115 1132768445 /nfs/dbraw/zinc/76/84/45/1132768445.db2.gz NXQAXVCQHNXTNC-UHFFFAOYSA-N 0 1 273.723 3.740 20 0 CHADMN COc1cccc2cc(Nc3ccc4nccn4c3)cnc21 ZINC001174278967 1132768756 /nfs/dbraw/zinc/76/87/56/1132768756.db2.gz UCMAAFXOLHSYQT-UHFFFAOYSA-N 0 1 290.326 3.635 20 0 CHADMN O=C(c1ccc(Nc2ccc3nccn3c2)cc1)C1CC1 ZINC001174280203 1132770019 /nfs/dbraw/zinc/77/00/19/1132770019.db2.gz PTLNTOGQTTWGBD-UHFFFAOYSA-N 0 1 277.327 3.671 20 0 CHADMN Fc1cccc(Nc2ccc3nccn3c2)c1N1CCCC1 ZINC001174280272 1132770319 /nfs/dbraw/zinc/77/03/19/1132770319.db2.gz SFGWJTYKFCKVKX-UHFFFAOYSA-N 0 1 296.349 3.817 20 0 CHADMN COc1ccc2cnc(NCCc3cc(C)ccn3)cc2c1 ZINC001158432597 1132775743 /nfs/dbraw/zinc/77/57/43/1132775743.db2.gz CRHWLHMGOWBREQ-UHFFFAOYSA-N 0 1 293.370 3.601 20 0 CHADMN CC(C)Oc1ccnc(NC[C@@H](C)c2ccc(O)cc2)c1 ZINC001158606105 1132783417 /nfs/dbraw/zinc/78/34/17/1132783417.db2.gz OCIVXNTZQZJBCF-CYBMUJFWSA-N 0 1 286.375 3.790 20 0 CHADMN Cc1cc2c(ccc(N)c2F)n1-c1ccc2n[nH]cc2c1 ZINC001174273471 1132783553 /nfs/dbraw/zinc/78/35/53/1132783553.db2.gz NOOIVHYZYUWDEB-UHFFFAOYSA-N 0 1 280.306 3.537 20 0 CHADMN CC(C)Oc1ccnc(NC[C@H](C)c2ccc(O)cc2)c1 ZINC001158606106 1132783883 /nfs/dbraw/zinc/78/38/83/1132783883.db2.gz OCIVXNTZQZJBCF-ZDUSSCGKSA-N 0 1 286.375 3.790 20 0 CHADMN Brc1ccc(Nc2ccc3nccn3c2)cc1 ZINC001174276525 1132784932 /nfs/dbraw/zinc/78/49/32/1132784932.db2.gz FUFKFONOZCSHKG-UHFFFAOYSA-N 0 1 288.148 3.840 20 0 CHADMN COc1ccc(Cl)cc1Nc1ccc2nccn2c1 ZINC001174276737 1132785389 /nfs/dbraw/zinc/78/53/89/1132785389.db2.gz MEHHBGGWTHRCFM-UHFFFAOYSA-N 0 1 273.723 3.740 20 0 CHADMN Fc1ccc(Nc2ccc3nccn3c2)cc1Cl ZINC001174276930 1132785644 /nfs/dbraw/zinc/78/56/44/1132785644.db2.gz XSZLJBNMDBGNPI-UHFFFAOYSA-N 0 1 261.687 3.870 20 0 CHADMN Cc1cc(N)c(Cl)cc1Nc1ccc2nccn2c1 ZINC001174278120 1132786044 /nfs/dbraw/zinc/78/60/44/1132786044.db2.gz QLHQJYYSWHGOGQ-UHFFFAOYSA-N 0 1 272.739 3.622 20 0 CHADMN Fc1ccc(COc2ccccc2Nc2ccncc2)cc1 ZINC001174308092 1132788416 /nfs/dbraw/zinc/78/84/16/1132788416.db2.gz HOXCDRMYWLOCKE-UHFFFAOYSA-N 0 1 294.329 3.965 20 0 CHADMN O=C(Nc1cccc2[nH]nnc21)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC001158816562 1132794252 /nfs/dbraw/zinc/79/42/52/1132794252.db2.gz FLQSILOFWBFVMI-YNEHKIRRSA-N 0 1 298.390 3.503 20 0 CHADMN Cc1cnc(N(C)[C@H]2CCc3ccccc32)cc1C ZINC001158920318 1132797994 /nfs/dbraw/zinc/79/79/94/1132797994.db2.gz KOVVCWWOUYUKFD-INIZCTEOSA-N 0 1 252.361 3.822 20 0 CHADMN c1n[nH]c2cccc(Nc3cncc4ccccc43)c12 ZINC001174342132 1132799473 /nfs/dbraw/zinc/79/94/73/1132799473.db2.gz GWSSXZRRYNNMBF-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN c1n[nH]c2cccc(Nc3cc(-c4cccnc4)ccn3)c12 ZINC001174343473 1132801502 /nfs/dbraw/zinc/80/15/02/1132801502.db2.gz UZKQEVNGXRJABE-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1n[nH]c2cccc(Nc3cc4ccccc4cn3)c12 ZINC001174343030 1132801723 /nfs/dbraw/zinc/80/17/23/1132801723.db2.gz GHUIUBYLJMLYEY-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN CC(C)Oc1ccnc(NCCC(=O)c2ccccc2)c1 ZINC001159021237 1132802896 /nfs/dbraw/zinc/80/28/96/1132802896.db2.gz UEXDFJIDWDMFPG-UHFFFAOYSA-N 0 1 284.359 3.554 20 0 CHADMN Nc1cc(Cl)cc(F)c1Nc1cccc2[nH]ncc21 ZINC001174344962 1132803827 /nfs/dbraw/zinc/80/38/27/1132803827.db2.gz GZMIKCOXTOZHDH-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN CCOc1cc(F)ccc1Nc1cccc2[nH]ncc21 ZINC001174344868 1132803943 /nfs/dbraw/zinc/80/39/43/1132803943.db2.gz RFWZZYJSXUOLDR-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN FC(F)(F)Oc1ccnc(Nc2cccc3[nH]ncc32)c1 ZINC001174344870 1132804103 /nfs/dbraw/zinc/80/41/03/1132804103.db2.gz RKHNONQRPFNVDO-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN CC(=O)c1cc(Nc2cccc3[nH]ncc32)ccc1F ZINC001174345442 1132804604 /nfs/dbraw/zinc/80/46/04/1132804604.db2.gz ATEWGTBOMSXQKY-UHFFFAOYSA-N 0 1 269.279 3.648 20 0 CHADMN CC(=O)c1cc(C)ccc1Nc1cccc2[nH]ncc21 ZINC001174348354 1132807393 /nfs/dbraw/zinc/80/73/93/1132807393.db2.gz ZQCSXRPDZFTIJD-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN Cc1cc(F)ccc1Nc1cc([C@H]2CCCCN2)no1 ZINC001159309349 1132827282 /nfs/dbraw/zinc/82/72/82/1132827282.db2.gz SXBFWUXUJQEPTR-CYBMUJFWSA-N 0 1 275.327 3.680 20 0 CHADMN CC(C)n1cnc2cc(-n3c(N)nc4ccccc43)ccc21 ZINC001174381294 1132828815 /nfs/dbraw/zinc/82/88/15/1132828815.db2.gz UZZXYSYWKJLLMF-UHFFFAOYSA-N 0 1 291.358 3.538 20 0 CHADMN Clc1ccccc1Nc1cc([C@H]2CCCCN2)no1 ZINC001159313179 1132829440 /nfs/dbraw/zinc/82/94/40/1132829440.db2.gz JDOIZEFYNRNBFL-GFCCVEGCSA-N 0 1 277.755 3.886 20 0 CHADMN Clc1ccc(Nc2cc([C@@H]3CCCCN3)no2)cc1 ZINC001159312458 1132829514 /nfs/dbraw/zinc/82/95/14/1132829514.db2.gz BRVABXNSOKMDFP-LBPRGKRZSA-N 0 1 277.755 3.886 20 0 CHADMN Oc1cc(Cl)cc(Nc2cc([C@H]3CCCCN3)no2)c1 ZINC001159313761 1132830664 /nfs/dbraw/zinc/83/06/64/1132830664.db2.gz TYFGFURLVSMVCZ-GFCCVEGCSA-N 0 1 293.754 3.592 20 0 CHADMN COc1ccc2c(c1)C[C@@H](Nc1ccc3c(n1)CCC3)CC2 ZINC001159361594 1132833585 /nfs/dbraw/zinc/83/35/85/1132833585.db2.gz NUCGMRKQQRWYTL-INIZCTEOSA-N 0 1 294.398 3.548 20 0 CHADMN c1cn(Cc2cccc(Nc3ccc4c[nH]nc4c3)c2)cn1 ZINC001174500095 1132856210 /nfs/dbraw/zinc/85/62/10/1132856210.db2.gz JWRFIKUCIMCLGR-UHFFFAOYSA-N 0 1 289.342 3.551 20 0 CHADMN Cc1cnc(Nc2ccc3cn[nH]c3c2)c(Cl)c1 ZINC001174499064 1132863904 /nfs/dbraw/zinc/86/39/04/1132863904.db2.gz XXHXQBWICKVUJX-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Nc1cc(Cl)nc(Cl)c1Nc1ccc2c[nH]nc2c1 ZINC001174497983 1132864418 /nfs/dbraw/zinc/86/44/18/1132864418.db2.gz PATLCQSHNYSOAB-UHFFFAOYSA-N 0 1 294.145 3.591 20 0 CHADMN Cc1nc(Cl)c(Nc2ccc3c[nH]nc3c2)c(Cl)n1 ZINC001174497604 1132864698 /nfs/dbraw/zinc/86/46/98/1132864698.db2.gz APJPWVHASBNNNJ-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN CC(C)c1cccnc1Nc1ccc2cn[nH]c2c1 ZINC001174499204 1132865120 /nfs/dbraw/zinc/86/51/20/1132865120.db2.gz PWEOZOWZALHDSO-UHFFFAOYSA-N 0 1 252.321 3.825 20 0 CHADMN Cc1cc(Nc2cccc3[nH]ncc32)ccc1N(C)C ZINC001159574907 1132865233 /nfs/dbraw/zinc/86/52/33/1132865233.db2.gz PTDRSFVNHCAQCM-UHFFFAOYSA-N 0 1 266.348 3.681 20 0 CHADMN c1[nH]nc2cc(Nc3csc4cnccc34)ccc12 ZINC001174498161 1132865276 /nfs/dbraw/zinc/86/52/76/1132865276.db2.gz GQOLUALRHACZGI-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN CCOc1cccc(Nc2cccc3[nH]ncc32)c1 ZINC001159574292 1132865479 /nfs/dbraw/zinc/86/54/79/1132865479.db2.gz PTHKPMYLUBMOON-UHFFFAOYSA-N 0 1 253.305 3.705 20 0 CHADMN COc1cc(C)cc(Nc2cccc3[nH]ncc32)c1 ZINC001159574596 1132865576 /nfs/dbraw/zinc/86/55/76/1132865576.db2.gz IFCVDMUOEIXREL-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN COc1c(F)ccc(F)c1Nc1ccc2c[nH]nc2c1 ZINC001159661796 1132884793 /nfs/dbraw/zinc/88/47/93/1132884793.db2.gz GLZISQOWZNKJHY-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN CCOc1c(F)cccc1Nc1ccc2c[nH]nc2c1 ZINC001159663151 1132886352 /nfs/dbraw/zinc/88/63/52/1132886352.db2.gz RGWSIGQNFHYFHF-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN CSc1ncc(Nc2ccc3c[nH]nc3c2)cc1C ZINC001159663311 1132887196 /nfs/dbraw/zinc/88/71/96/1132887196.db2.gz VMKZBTWHBXRFND-UHFFFAOYSA-N 0 1 270.361 3.732 20 0 CHADMN O=C1CCCc2cc(Nc3ccc4c[nH]nc4c3)ccc21 ZINC001159662968 1132887743 /nfs/dbraw/zinc/88/77/43/1132887743.db2.gz NXTIVTWSAJKTKB-UHFFFAOYSA-N 0 1 277.327 3.826 20 0 CHADMN Oc1c(Cl)cccc1Nc1ccc2c[nH]nc2c1 ZINC001174500554 1132901388 /nfs/dbraw/zinc/90/13/88/1132901388.db2.gz RPKAWJYNULKHMF-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN COC(=O)[C@@H](C)c1ccc(Nc2ccc3c[nH]nc3c2)cc1 ZINC001174500820 1132902544 /nfs/dbraw/zinc/90/25/44/1132902544.db2.gz POGPKNVQLHXRKO-NSHDSACASA-N 0 1 295.342 3.583 20 0 CHADMN Cc1nn(C)c2cc(Nc3ccc4c[nH]nc4c3)ccc12 ZINC001174501938 1132902657 /nfs/dbraw/zinc/90/26/57/1132902657.db2.gz OHSIPWMPFFSOJG-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1cc(Nc2ccc3c[nH]nc3c2)cc(F)c1F ZINC001174502265 1132904245 /nfs/dbraw/zinc/90/42/45/1132904245.db2.gz JUQIKIBFXWLWNP-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN FC(F)(CNc1ccc2c(n1)CCCC2)c1ccccn1 ZINC001159793596 1132910728 /nfs/dbraw/zinc/91/07/28/1132910728.db2.gz WXFJYBGSHZBHNC-UHFFFAOYSA-N 0 1 289.329 3.559 20 0 CHADMN Nc1ccc(Cl)c(Nc2ccc3c[nH]nc3c2)c1 ZINC001159871049 1132918784 /nfs/dbraw/zinc/91/87/84/1132918784.db2.gz OVSSDPVGYNREOY-UHFFFAOYSA-N 0 1 258.712 3.542 20 0 CHADMN COC(=O)c1c(Cl)cc(Cl)nc1NC=C(C)C ZINC001174554112 1132922085 /nfs/dbraw/zinc/92/20/85/1132922085.db2.gz HKVALNWBNQTKJF-UHFFFAOYSA-N 0 1 275.135 3.511 20 0 CHADMN O=c1cc(Nc2cccc(C(F)F)c2)nc(Cl)[nH]1 ZINC001174618701 1132929295 /nfs/dbraw/zinc/92/92/95/1132929295.db2.gz CHMZRVDJOUPUKT-UHFFFAOYSA-N 0 1 271.654 3.517 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4sc(N)nc4c3)ccc12 ZINC001160005879 1132934893 /nfs/dbraw/zinc/93/48/93/1132934893.db2.gz LMLPPULSGBGTAJ-UHFFFAOYSA-N 0 1 295.371 3.807 20 0 CHADMN CC(C)Oc1ccnc(N[C@@H]2COCc3ccccc32)c1 ZINC001160119849 1132940101 /nfs/dbraw/zinc/94/01/01/1132940101.db2.gz IGFCBHLLYXTYJM-MRXNPFEDSA-N 0 1 284.359 3.552 20 0 CHADMN Cc1c(F)cccc1Nc1nnc(-c2ccco2)o1 ZINC001174664290 1132954523 /nfs/dbraw/zinc/95/45/23/1132954523.db2.gz GUEHHENNPDADNH-UHFFFAOYSA-N 0 1 259.240 3.521 20 0 CHADMN COC(=O)C[C@@H](Nc1ccc(C)c(C)n1)C1CCCCC1 ZINC001160557205 1132974815 /nfs/dbraw/zinc/97/48/15/1132974815.db2.gz IAAOQNBRAGUFQG-OAHLLOKOSA-N 0 1 290.407 3.622 20 0 CHADMN Cc1nc2cncc(N[C@@H](C)CCc3ccccc3)c2[nH]1 ZINC001161615363 1133009090 /nfs/dbraw/zinc/00/90/90/1133009090.db2.gz DRXZMTPJEWJLIZ-LBPRGKRZSA-N 0 1 280.375 3.700 20 0 CHADMN CC(C)[C@@H]1N(C(=O)c2cccc(F)c2O)CC12CCCC2 ZINC001161685294 1133016427 /nfs/dbraw/zinc/01/64/27/1133016427.db2.gz CHTPMGOSFUNXKA-HNNXBMFYSA-N 0 1 291.366 3.572 20 0 CHADMN Cc1c(C)n(-c2cccc3nc[nH]c32)c2c1cccc2N ZINC001213034712 1133017707 /nfs/dbraw/zinc/01/77/07/1133017707.db2.gz YJVPUCMIKAIACC-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN CC(C)[C@H](CO)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC001161745102 1133022322 /nfs/dbraw/zinc/02/23/22/1133022322.db2.gz QRKNNKHURBPGIO-KRWDZBQOSA-N 0 1 295.386 3.659 20 0 CHADMN Cc1nccc(N[C@@H](c2ccccc2)C2CC2)c1F ZINC001161961132 1133043291 /nfs/dbraw/zinc/04/32/91/1133043291.db2.gz DZXUFZRLPQIFSM-INIZCTEOSA-N 0 1 256.324 3.514 20 0 CHADMN Cc1cc2cc[nH]c2c(NCc2nc3ccccc3o2)n1 ZINC001161966626 1133044639 /nfs/dbraw/zinc/04/46/39/1133044639.db2.gz RSIVWFWHHIZVFX-UHFFFAOYSA-N 0 1 278.315 3.625 20 0 CHADMN Cc1cc2nccn2cc1NCc1ccc2c(ccn2C)c1 ZINC001162168635 1133056997 /nfs/dbraw/zinc/05/69/97/1133056997.db2.gz ASIWIZCDQACTCF-UHFFFAOYSA-N 0 1 290.370 3.747 20 0 CHADMN Cc1cc2ccccc2c(N[C@@H]2C[C@@]23CCCOC3)n1 ZINC001162378274 1133074210 /nfs/dbraw/zinc/07/42/10/1133074210.db2.gz UEGJIPGOSAVNOT-NVXWUHKLSA-N 0 1 268.360 3.524 20 0 CHADMN Cc1cccc2ccnc(NC[C@@H]3COc4cnccc43)c12 ZINC001162578498 1133092762 /nfs/dbraw/zinc/09/27/62/1133092762.db2.gz UZAYSKZWEYZOQC-CQSZACIVSA-N 0 1 291.354 3.526 20 0 CHADMN Cc1ccc2nc(CNc3nc4cccc(F)c4o3)[nH]c2c1 ZINC001162659472 1133101841 /nfs/dbraw/zinc/10/18/41/1133101841.db2.gz PBUKSHJTVRBLIS-UHFFFAOYSA-N 0 1 296.305 3.764 20 0 CHADMN COc1cccc(CCNc2nccc3cc(C)ccc32)n1 ZINC001162739387 1133107307 /nfs/dbraw/zinc/10/73/07/1133107307.db2.gz SOPFONZVVTWKAR-UHFFFAOYSA-N 0 1 293.370 3.601 20 0 CHADMN CCN(Cc1ccncc1)c1nc(C)cc2ccccc21 ZINC001163609001 1133162005 /nfs/dbraw/zinc/16/20/05/1133162005.db2.gz DATQLKFNNBVGET-UHFFFAOYSA-N 0 1 277.371 3.965 20 0 CHADMN CCOc1cccc(CCNc2cnc(N(C)C)cc2C)c1 ZINC001163709245 1133167503 /nfs/dbraw/zinc/16/75/03/1133167503.db2.gz RVFOJPYLLYXQFR-UHFFFAOYSA-N 0 1 299.418 3.509 20 0 CHADMN Cc1nccc(NC(=N)C23CC4CC(CC(C4)C2)C3)c1F ZINC001163848184 1133179033 /nfs/dbraw/zinc/17/90/33/1133179033.db2.gz KPGCCCCBXOGMAN-UHFFFAOYSA-N 0 1 287.382 3.557 20 0 CHADMN C[C@H](Nc1nccc2nn[nH]c21)c1ccc2ccccc2c1 ZINC001164139192 1133200901 /nfs/dbraw/zinc/20/09/01/1133200901.db2.gz MNFHAQOXJBPOCM-NSHDSACASA-N 0 1 289.342 3.679 20 0 CHADMN CNc1ccc(CNc2nc(C)cc3cc[nH]c32)cc1 ZINC001164149795 1133201362 /nfs/dbraw/zinc/20/13/62/1133201362.db2.gz SNNJYWZTJAKPIS-UHFFFAOYSA-N 0 1 266.348 3.525 20 0 CHADMN CNc1ccc(CNc2cc(OCC3CC3)ccn2)cc1 ZINC001164151982 1133201584 /nfs/dbraw/zinc/20/15/84/1133201584.db2.gz CLJLDMOTCQBRHS-UHFFFAOYSA-N 0 1 283.375 3.524 20 0 CHADMN COc1ccc(CCCNc2ccc3nc[nH]c3c2)cc1 ZINC001164194399 1133205837 /nfs/dbraw/zinc/20/58/37/1133205837.db2.gz ABNCEGHDNKMLAX-UHFFFAOYSA-N 0 1 281.359 3.616 20 0 CHADMN Cn1ccc2c1nccc2NCc1cnc2ccccc2c1 ZINC001164206418 1133207497 /nfs/dbraw/zinc/20/74/97/1133207497.db2.gz OZYFPSGDUQSRLX-UHFFFAOYSA-N 0 1 288.354 3.734 20 0 CHADMN Cc1cc2ccccc2c(N2CC[C@](C)(F)[C@H](F)C2)n1 ZINC001164336257 1133214907 /nfs/dbraw/zinc/21/49/07/1133214907.db2.gz CHBGHWOALYJNKA-ZBFHGGJFSA-N 0 1 276.330 3.820 20 0 CHADMN C[C@@]1(C(=O)Nc2ccc(Nc3ccncc3)cc2)C=CCC1 ZINC001164425129 1133218033 /nfs/dbraw/zinc/21/80/33/1133218033.db2.gz KQDDUPKJBYKBSQ-GOSISDBHSA-N 0 1 293.370 3.542 20 0 CHADMN c1ccn(CCNc2ccc3c(c2)nc2cc[nH]cc3-2)c1 ZINC001164455053 1133220274 /nfs/dbraw/zinc/22/02/74/1133220274.db2.gz MZOSJVMBJYYEAM-UHFFFAOYSA-N 0 1 276.343 3.630 20 0 CHADMN Cc1ccc2nc(SC3CCSCC3)[nH]c2c1 ZINC001164573159 1133224093 /nfs/dbraw/zinc/22/40/93/1133224093.db2.gz SZWXFYOLSSUSHC-UHFFFAOYSA-N 0 1 264.419 3.859 20 0 CHADMN CC[C@@H](C)CSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC001165719679 1133249418 /nfs/dbraw/zinc/24/94/18/1133249418.db2.gz IUVRVSPDBROXDX-MRVPVSSYSA-N 0 1 283.347 3.888 20 0 CHADMN Cn1ccc2c1nccc2NC/C=C/c1ccccc1 ZINC001166109220 1133260466 /nfs/dbraw/zinc/26/04/66/1133260466.db2.gz JODCZDHJRPDVAE-VMPITWQZSA-N 0 1 263.344 3.699 20 0 CHADMN Cc1cc2nccn2cc1NC/C=C/c1ccccc1 ZINC001166109578 1133260769 /nfs/dbraw/zinc/26/07/69/1133260769.db2.gz NHXJQGQJFONSRT-VMPITWQZSA-N 0 1 263.344 3.768 20 0 CHADMN COc1ccnc(N2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC001166563346 1133270548 /nfs/dbraw/zinc/27/05/48/1133270548.db2.gz OWTLWHQYHPANEV-INIZCTEOSA-N 0 1 282.387 3.549 20 0 CHADMN CC(C)CCN(Cc1c(F)cccc1F)C1CC1 ZINC001166996857 1133297764 /nfs/dbraw/zinc/29/77/64/1133297764.db2.gz KLMJPABBICQKMV-UHFFFAOYSA-N 0 1 253.336 3.975 20 0 CHADMN Cc1ccc(N(C)Cc2csc(C(C)C)n2)nc1C ZINC001167005120 1133298751 /nfs/dbraw/zinc/29/87/51/1133298751.db2.gz QXUTUCPPZRDHSD-UHFFFAOYSA-N 0 1 275.421 3.915 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2cncc(C)n2)cc1 ZINC001203173338 1133304592 /nfs/dbraw/zinc/30/45/92/1133304592.db2.gz GLTRXONCCABPOO-SFHVURJKSA-N 0 1 297.402 3.521 20 0 CHADMN COc1ccc([C@H]2CSCCN2Cc2ccccc2)cc1 ZINC001203312449 1133313646 /nfs/dbraw/zinc/31/36/46/1133313646.db2.gz CUUAVRADAYTTOH-GOSISDBHSA-N 0 1 299.439 3.985 20 0 CHADMN CN(Cc1ccccc1Cl)C[C@@H]1Cc2ccccc2O1 ZINC001203388218 1133321742 /nfs/dbraw/zinc/32/17/42/1133321742.db2.gz OFRJGCDZYKSIPR-HNNXBMFYSA-N 0 1 287.790 3.776 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1c(C)ccnc1OC ZINC001203519792 1133334964 /nfs/dbraw/zinc/33/49/64/1133334964.db2.gz LEDNGLGQXABQTN-UHFFFAOYSA-N 0 1 295.342 3.699 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(CO)ccc1C ZINC001203524959 1133335995 /nfs/dbraw/zinc/33/59/95/1133335995.db2.gz JVAFWEDWJNGPPV-UHFFFAOYSA-N 0 1 294.354 3.788 20 0 CHADMN CCOc1ccccc1CN(C)C[C@H]1Cc2ccccc2O1 ZINC001203547877 1133338551 /nfs/dbraw/zinc/33/85/51/1133338551.db2.gz ZRTRNDNOMZBQNJ-QGZVFWFLSA-N 0 1 297.398 3.521 20 0 CHADMN Cc1ccccc1CN1CCc2c(F)cccc2C1 ZINC001203709885 1133357177 /nfs/dbraw/zinc/35/71/77/1133357177.db2.gz TYDDOFTVAXKUSO-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN Cc1ccccc1CN1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001203709345 1133357884 /nfs/dbraw/zinc/35/78/84/1133357884.db2.gz BCFWIJLTNBWQOX-IBGZPJMESA-N 0 1 299.389 3.882 20 0 CHADMN COc1ccc(CN2CCc3ncc(C)cc3C2)c(C)c1C ZINC001203726801 1133360372 /nfs/dbraw/zinc/36/03/72/1133360372.db2.gz KXHNGAOXUJNNHR-UHFFFAOYSA-N 0 1 296.414 3.574 20 0 CHADMN COc1ccc(CN2CCC3(CC(F)(F)C3)CC2)cc1F ZINC001203788302 1133368528 /nfs/dbraw/zinc/36/85/28/1133368528.db2.gz FGTLHGPXWHTYJU-UHFFFAOYSA-N 0 1 299.336 3.846 20 0 CHADMN F[C@@H]1CCCN(Cc2ccc(Br)cc2)CC1 ZINC001203907372 1133383161 /nfs/dbraw/zinc/38/31/61/1133383161.db2.gz XSOUFXNEILJRGR-CYBMUJFWSA-N 0 1 286.188 3.773 20 0 CHADMN c1ccc(Oc2ccc(CN3CCCOCC3)cc2)cc1 ZINC001203945378 1133388537 /nfs/dbraw/zinc/38/85/37/1133388537.db2.gz LJKSHTQDQVROGY-UHFFFAOYSA-N 0 1 283.371 3.701 20 0 CHADMN c1ccc(Oc2ccc(CN3CC4(C3)CCOC4)cc2)cc1 ZINC001203946578 1133388776 /nfs/dbraw/zinc/38/87/76/1133388776.db2.gz WKIVYFNZIKOTRN-UHFFFAOYSA-N 0 1 295.382 3.701 20 0 CHADMN Cl/C=C/CNCc1ccc(Cl)c(Br)c1 ZINC001203954679 1133389204 /nfs/dbraw/zinc/38/92/04/1133389204.db2.gz UXCGKTORENSABR-DAFODLJHSA-N 0 1 295.007 3.945 20 0 CHADMN c1cc2c(o1)CCN(Cc1ccc3ccccc3c1)C2 ZINC001203999541 1133396160 /nfs/dbraw/zinc/39/61/60/1133396160.db2.gz ISNXWMJVTXPCSC-UHFFFAOYSA-N 0 1 263.340 3.991 20 0 CHADMN c1cc(CN2CCN(C3(c4ccccc4)CC3)CC2)cs1 ZINC001204042889 1133402720 /nfs/dbraw/zinc/40/27/20/1133402720.db2.gz NZRYFKABXMBRJI-UHFFFAOYSA-N 0 1 298.455 3.555 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC001204155305 1133411977 /nfs/dbraw/zinc/41/19/77/1133411977.db2.gz ZMVRBGNHBPXVRI-KRWDZBQOSA-N 0 1 299.345 3.861 20 0 CHADMN CC(C)c1ccc(CN2CCC(=O)[C@@H](C)CC2)cc1 ZINC001204167538 1133413723 /nfs/dbraw/zinc/41/37/23/1133413723.db2.gz SGGKJTYJTLAJGR-AWEZNQCLSA-N 0 1 259.393 3.611 20 0 CHADMN C[C@H]1CCN(Cc2cccc(Cl)c2Cl)CC[C@@H]1O ZINC001204181480 1133416700 /nfs/dbraw/zinc/41/67/00/1133416700.db2.gz PHDHKTDHCYDAPJ-GWCFXTLKSA-N 0 1 288.218 3.586 20 0 CHADMN Fc1cccc(F)c1CN1CC[C@@H]2CCC[C@@H]2C1 ZINC001204199923 1133418204 /nfs/dbraw/zinc/41/82/04/1133418204.db2.gz DXBGYIROTVEIPE-NWDGAFQWSA-N 0 1 251.320 3.587 20 0 CHADMN CC(C)C1CCN(Cc2ccc(F)c(F)c2N(C)C)CC1 ZINC001204205195 1133419406 /nfs/dbraw/zinc/41/94/06/1133419406.db2.gz QFHLMPCGJIAFKJ-UHFFFAOYSA-N 0 1 296.405 3.899 20 0 CHADMN COc1cccc(OC)c1CN1CC[C@@H](C)C(F)(F)CC1 ZINC001204249230 1133424400 /nfs/dbraw/zinc/42/44/00/1133424400.db2.gz LHTAGDFAKWJLEO-GFCCVEGCSA-N 0 1 299.361 3.571 20 0 CHADMN Cc1[nH]c2ccccc2c1CN1CCC[C@@H]1c1ncccn1 ZINC001204296640 1133430601 /nfs/dbraw/zinc/43/06/01/1133430601.db2.gz CRMUCAQNNKZIAQ-QGZVFWFLSA-N 0 1 292.386 3.603 20 0 CHADMN CCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)cc1 ZINC001204304301 1133432638 /nfs/dbraw/zinc/43/26/38/1133432638.db2.gz DMEFQXOTTQWXPH-CZUORRHYSA-N 0 1 265.372 3.655 20 0 CHADMN CCCOc1ccc(CN2CC[C@@H](C)[C@H](F)C2)cc1 ZINC001204304301 1133432640 /nfs/dbraw/zinc/43/26/40/1133432640.db2.gz DMEFQXOTTQWXPH-CZUORRHYSA-N 0 1 265.372 3.655 20 0 CHADMN Cn1cc(CN2CCC(=O)[C@@H]3CCCC[C@H]32)c2ccccc21 ZINC001204316168 1133435416 /nfs/dbraw/zinc/43/54/16/1133435416.db2.gz YNURFOXOPFSMHU-SJLPKXTDSA-N 0 1 296.414 3.512 20 0 CHADMN CSC(C)(C)CCN1CCc2c(F)ccc(F)c2C1 ZINC001204312786 1133435806 /nfs/dbraw/zinc/43/58/06/1133435806.db2.gz GCYPFPCWNVQBSS-UHFFFAOYSA-N 0 1 285.403 3.855 20 0 CHADMN CCc1ccc(CN2CC[C@H](C(=O)c3ccccc3)C2)o1 ZINC001204393762 1133442873 /nfs/dbraw/zinc/44/28/73/1133442873.db2.gz FEGVEUQIVKDQOI-HNNXBMFYSA-N 0 1 283.371 3.547 20 0 CHADMN FC(F)(F)Oc1ccccc1CN1CCCC12CC2 ZINC001204423829 1133443944 /nfs/dbraw/zinc/44/39/44/1133443944.db2.gz NDMYZMCYFPCPKE-UHFFFAOYSA-N 0 1 271.282 3.714 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3ccc(F)cc3C(F)(F)F)C[C@@H]21 ZINC001204482643 1133452411 /nfs/dbraw/zinc/45/24/11/1133452411.db2.gz FUMLTSGXQZPGQB-BETUJISGSA-N 0 1 287.300 3.932 20 0 CHADMN CCN(Cc1cccnc1)Cc1ccc2ccccc2n1 ZINC001204503333 1133454808 /nfs/dbraw/zinc/45/48/08/1133454808.db2.gz QBSRVKVVXNDZOH-UHFFFAOYSA-N 0 1 277.371 3.652 20 0 CHADMN C[C@H]1CN(Cc2ccc(F)c3ccccc23)CC(C)(C)O1 ZINC001204516370 1133456081 /nfs/dbraw/zinc/45/60/81/1133456081.db2.gz TYMAHCMYQBIKFJ-ZDUSSCGKSA-N 0 1 287.378 3.978 20 0 CHADMN COc1ccc2cc(CN3CCCC(=O)[C@H](C)C3)ccc2c1 ZINC001204516072 1133456112 /nfs/dbraw/zinc/45/61/12/1133456112.db2.gz VJRHQTGNSOTZFG-CQSZACIVSA-N 0 1 297.398 3.649 20 0 CHADMN Cc1cc(C)cc(CN2CCCC(F)(F)[C@@H](F)C2)c1 ZINC001204519963 1133456549 /nfs/dbraw/zinc/45/65/49/1133456549.db2.gz PYQFZTQAXFCGAB-AWEZNQCLSA-N 0 1 271.326 3.873 20 0 CHADMN COc1ccc2cc(CN3CCC[C@H](F)C3)ccc2c1 ZINC001204514815 1133456938 /nfs/dbraw/zinc/45/69/38/1133456938.db2.gz RRWINXVPPREIAQ-INIZCTEOSA-N 0 1 273.351 3.782 20 0 CHADMN Cc1nn(C)cc1C[N@@H+](Cc1cccc(C)c1C)C1CC1 ZINC001204583394 1133464467 /nfs/dbraw/zinc/46/44/67/1133464467.db2.gz QFXDTIJWPVKFGZ-UHFFFAOYSA-N 0 1 283.419 3.510 20 0 CHADMN Cc1nn(C)cc1CN(Cc1cccc(C)c1C)C1CC1 ZINC001204583394 1133464473 /nfs/dbraw/zinc/46/44/73/1133464473.db2.gz QFXDTIJWPVKFGZ-UHFFFAOYSA-N 0 1 283.419 3.510 20 0 CHADMN CN(C)Cc1cc(-c2cncc(C3CC3)c2)ccc1F ZINC001204597572 1133465635 /nfs/dbraw/zinc/46/56/35/1133465635.db2.gz LDJPOTFWDDPESC-UHFFFAOYSA-N 0 1 270.351 3.827 20 0 CHADMN CC(C)Oc1ccc(F)c(-c2ccc3nn[nH]c3c2)c1F ZINC001204655704 1133472277 /nfs/dbraw/zinc/47/22/77/1133472277.db2.gz JRMMXOWNOMFVDL-UHFFFAOYSA-N 0 1 289.285 3.690 20 0 CHADMN C[C@@H]1CCc2nc(CN3CC[C@@H](C)[C@H](C)C3)sc2C1 ZINC001204767995 1133482977 /nfs/dbraw/zinc/48/29/77/1133482977.db2.gz FNFWYBOHRRKXBC-JHJVBQTASA-N 0 1 278.465 3.746 20 0 CHADMN Cc1nn(C)c2ccc(Nc3cnc4cccc(C)n34)cc12 ZINC001204857355 1133493222 /nfs/dbraw/zinc/49/32/22/1133493222.db2.gz FPMJYHQVBVSKRB-UHFFFAOYSA-N 0 1 291.358 3.581 20 0 CHADMN COc1ccc(CN2CCC3(CC(F)C3)CC2)c(F)c1 ZINC001204908428 1133498423 /nfs/dbraw/zinc/49/84/23/1133498423.db2.gz YPGZRSGISBQYLA-UHFFFAOYSA-N 0 1 281.346 3.548 20 0 CHADMN Cc1nc2ccc(-c3ccc(CO)c(C)c3C)cc2[nH]1 ZINC001204962039 1133507560 /nfs/dbraw/zinc/50/75/60/1133507560.db2.gz AELJKBNYYVMXBW-UHFFFAOYSA-N 0 1 266.344 3.647 20 0 CHADMN C[C@H]1c2cccn2CCN1Cc1cccc2c1CCC2 ZINC001205093807 1133527840 /nfs/dbraw/zinc/52/78/40/1133527840.db2.gz LRPKQAMSSXEKOH-AWEZNQCLSA-N 0 1 266.388 3.554 20 0 CHADMN Cc1cc(C)c(-c2ccc(F)c(C(=O)[O-])c2F)c(C)[nH+]1 ZINC001205120531 1133533122 /nfs/dbraw/zinc/53/31/22/1133533122.db2.gz ATSCXZNRFIFCGO-UHFFFAOYSA-N 0 1 277.270 3.650 20 0 CHADMN Cc1cc(CN(C)Cc2cccc(F)c2)ccc1F ZINC001205162215 1133538842 /nfs/dbraw/zinc/53/88/42/1133538842.db2.gz OYKOUWKUTYZKBB-UHFFFAOYSA-N 0 1 261.315 3.905 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1Cc1ccc(O)c(F)c1 ZINC001205253793 1133550644 /nfs/dbraw/zinc/55/06/44/1133550644.db2.gz NLKMYABIPOJDIN-INIZCTEOSA-N 0 1 285.362 3.868 20 0 CHADMN c1nc2cnc(-c3ccc(Oc4ccccc4)nc3)cc2[nH]1 ZINC001205328768 1133562061 /nfs/dbraw/zinc/56/20/61/1133562061.db2.gz AWLCHBJNFANHCE-UHFFFAOYSA-N 0 1 288.310 3.812 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2cccnc2Br)C1 ZINC001205434479 1133576820 /nfs/dbraw/zinc/57/68/20/1133576820.db2.gz NTQIYHIQJOZVQN-GFCCVEGCSA-N 0 1 297.240 3.712 20 0 CHADMN Cc1ccc(F)c(CN2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC001205612245 1133595506 /nfs/dbraw/zinc/59/55/06/1133595506.db2.gz UARNRLBXZMAIOM-LJQANCHMSA-N 0 1 298.405 3.623 20 0 CHADMN C[C@H]1CN(Cc2cccc(Br)n2)CCC[C@@H]1C ZINC001205941137 1133632605 /nfs/dbraw/zinc/63/26/05/1133632605.db2.gz LMAHOWIOWXOEBY-RYUDHWBXSA-N 0 1 297.240 3.712 20 0 CHADMN C[C@H]1CCC(C)(C)C[C@@H]1NCc1ncn(-c2ccccc2)n1 ZINC001205988072 1133639417 /nfs/dbraw/zinc/63/94/17/1133639417.db2.gz FBTVHIQFQOVSGW-HOCLYGCPSA-N 0 1 298.434 3.572 20 0 CHADMN Fc1ccc(Cl)cc1CN1CCC[C@H](F)CC1 ZINC001205998471 1133639969 /nfs/dbraw/zinc/63/99/69/1133639969.db2.gz CYTHQJLNNBNIGD-LBPRGKRZSA-N 0 1 259.727 3.803 20 0 CHADMN C(=C/c1ncc2c(n1)CNC2)\c1ccc(-c2ccccc2)cc1 ZINC001206017623 1133642033 /nfs/dbraw/zinc/64/20/33/1133642033.db2.gz UBBYHYSJEJNEDA-DHZHZOJOSA-N 0 1 299.377 3.917 20 0 CHADMN C[C@H]1CN(Cc2ccc(Oc3ccc(F)cc3)nc2)[C@H]1C ZINC001206016225 1133642190 /nfs/dbraw/zinc/64/21/90/1133642190.db2.gz OYQDGVHBXALXNY-STQMWFEESA-N 0 1 286.350 3.853 20 0 CHADMN Fc1ccc(Cl)cc1CN1CC[C@H](COCC2CC2)C1 ZINC001206028732 1133644364 /nfs/dbraw/zinc/64/43/64/1133644364.db2.gz ZIASMSYBVBNXDB-ZDUSSCGKSA-N 0 1 297.801 3.728 20 0 CHADMN COc1cnc(F)c(CN2CC[C@@H](C(C)(C)C)C[C@H]2C)c1 ZINC001206115971 1133660355 /nfs/dbraw/zinc/66/03/55/1133660355.db2.gz KKNLHPGXZPQQCL-TZMCWYRMSA-N 0 1 294.414 3.876 20 0 CHADMN CCCOc1ccc(-c2cccn3cncc23)c(F)c1 ZINC001206149782 1133664538 /nfs/dbraw/zinc/66/45/38/1133664538.db2.gz UPLDXABDHREGOP-UHFFFAOYSA-N 0 1 270.307 3.929 20 0 CHADMN COc1cc(Cl)c(CN2CC(C)(C)C[C@H]2C)cc1OC ZINC001206308117 1133687872 /nfs/dbraw/zinc/68/78/72/1133687872.db2.gz NQSRCRVPEAXGDN-LLVKDONJSA-N 0 1 297.826 3.978 20 0 CHADMN CC(C)(C)c1nsc(Nc2cc(F)cc(F)c2F)n1 ZINC001206383491 1133696245 /nfs/dbraw/zinc/69/62/45/1133696245.db2.gz UJPMFLKVWGNWOK-UHFFFAOYSA-N 0 1 287.310 3.997 20 0 CHADMN CC(C)Cn1nccc1CN1CCc2ccccc2C1(C)C ZINC001206385480 1133697659 /nfs/dbraw/zinc/69/76/59/1133697659.db2.gz UVZFJNNMEXSXKO-UHFFFAOYSA-N 0 1 297.446 3.833 20 0 CHADMN COc1cccnc1CN(Cc1ccccc1)C(C)(C)C ZINC001206611306 1133727953 /nfs/dbraw/zinc/72/79/53/1133727953.db2.gz TVDRGVDTFOZDDF-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN CN(C)Cc1ccc(-c2cc3n[nH]cc3c(F)c2)cc1F ZINC001206609002 1133728257 /nfs/dbraw/zinc/72/82/57/1133728257.db2.gz LOOXOZAIQDSDLW-UHFFFAOYSA-N 0 1 287.313 3.570 20 0 CHADMN CCC(F)(F)CN[C@@H]1CCC[C@H]1c1ccccc1 ZINC001206689076 1133732178 /nfs/dbraw/zinc/73/21/78/1133732178.db2.gz MFJJKJJKBOZEHM-UONOGXRCSA-N 0 1 253.336 3.958 20 0 CHADMN CC[C@H](CN1CCO[C@](C)(C(F)F)C1)c1ccccc1 ZINC001206727711 1133736289 /nfs/dbraw/zinc/73/62/89/1133736289.db2.gz KVCSQWSGCDSWET-CJNGLKHVSA-N 0 1 283.362 3.536 20 0 CHADMN CC[C@H](CN1CCO[C@@](C)(C(F)F)C1)c1ccccc1 ZINC001206727712 1133736935 /nfs/dbraw/zinc/73/69/35/1133736935.db2.gz KVCSQWSGCDSWET-CZUORRHYSA-N 0 1 283.362 3.536 20 0 CHADMN Oc1cc(F)c(-c2ccc3c(n2)CCCC3)cc1F ZINC001206756166 1133741978 /nfs/dbraw/zinc/74/19/78/1133741978.db2.gz VHLLSEPBYXYPPZ-UHFFFAOYSA-N 0 1 261.271 3.611 20 0 CHADMN Oc1cc(F)c(-c2cccc(C(F)(F)F)n2)cc1F ZINC001206755930 1133742375 /nfs/dbraw/zinc/74/23/75/1133742375.db2.gz QXBCMNAIAXIBBM-UHFFFAOYSA-N 0 1 275.176 3.751 20 0 CHADMN Oc1cc(F)c(-c2ncccc2-n2cccc2)cc1F ZINC001206761924 1133743216 /nfs/dbraw/zinc/74/32/16/1133743216.db2.gz PGODPRRDXQTNGO-UHFFFAOYSA-N 0 1 272.254 3.523 20 0 CHADMN COc1cc(F)cc(CN2CC(Cc3cccc(C)c3)C2)c1 ZINC001206761711 1133743307 /nfs/dbraw/zinc/74/33/07/1133743307.db2.gz GHPQBUICKDPKIA-UHFFFAOYSA-N 0 1 299.389 3.817 20 0 CHADMN Oc1cc(F)c(-c2ncnc3cc(F)cc(F)c32)cc1F ZINC001206768482 1133745979 /nfs/dbraw/zinc/74/59/79/1133745979.db2.gz VQIFWDMIJHLSOX-UHFFFAOYSA-N 0 1 294.207 3.559 20 0 CHADMN CC(C)Oc1cccnc1-c1cc(F)c(O)cc1F ZINC001206775676 1133746815 /nfs/dbraw/zinc/74/68/15/1133746815.db2.gz GAYIAXCRXRCGFA-UHFFFAOYSA-N 0 1 265.259 3.520 20 0 CHADMN Cc1cc2cccnc2c(-c2cc(F)c(O)cc2F)n1 ZINC001206775728 1133747320 /nfs/dbraw/zinc/74/73/20/1133747320.db2.gz IFUMBYHEMLFVEL-UHFFFAOYSA-N 0 1 272.254 3.589 20 0 CHADMN Cc1nc(CN2CCCC3(CC(F)C3)CC2)cs1 ZINC001206802855 1133751145 /nfs/dbraw/zinc/75/11/45/1133751145.db2.gz STTVNTQFGUIIBO-UHFFFAOYSA-N 0 1 268.401 3.556 20 0 CHADMN CCCCN(CC)Cc1cc(-c2ccc(OC)cc2)on1 ZINC001206824017 1133752549 /nfs/dbraw/zinc/75/25/49/1133752549.db2.gz YBUZTBBMUNSPDC-UHFFFAOYSA-N 0 1 288.391 3.972 20 0 CHADMN COc1ccc(-c2cc(CN(C)C(C)(C)C)no2)cc1 ZINC001206825817 1133752562 /nfs/dbraw/zinc/75/25/62/1133752562.db2.gz MRWYDLKQXVJBQD-UHFFFAOYSA-N 0 1 274.364 3.581 20 0 CHADMN COc1ccc(-c2cc(CN3CCC(C)(C)C3)no2)cc1 ZINC001206826990 1133753148 /nfs/dbraw/zinc/75/31/48/1133753148.db2.gz GJZTZSDRPJFLGF-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN Fc1ccc(-c2cc(CN3C4CCC3CC4)no2)cc1 ZINC001206834096 1133753651 /nfs/dbraw/zinc/75/36/51/1133753651.db2.gz MNAGRDNKUUWKFC-UHFFFAOYSA-N 0 1 272.323 3.608 20 0 CHADMN C[C@@]1(CF)CCN(Cc2cc(-c3ccccc3)on2)C1 ZINC001206841910 1133754745 /nfs/dbraw/zinc/75/47/45/1133754745.db2.gz BLZWGHFLCIQNDZ-INIZCTEOSA-N 0 1 274.339 3.523 20 0 CHADMN Cc1ccnc(CN(C)Cc2cccc3cccnc32)c1 ZINC001206855187 1133757044 /nfs/dbraw/zinc/75/70/44/1133757044.db2.gz QFHSLNFSWSJOFV-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1Cc1ncccc1F ZINC001207029420 1133761228 /nfs/dbraw/zinc/76/12/28/1133761228.db2.gz PYMXIJNSOYJSJQ-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Fc1ccc(CN2CCC3(C=Cc4ccccc43)CC2)nc1 ZINC001207039054 1133761505 /nfs/dbraw/zinc/76/15/05/1133761505.db2.gz XISYVVDJTCZUNI-UHFFFAOYSA-N 0 1 294.373 3.781 20 0 CHADMN CC(C)CN(Cc1ccccc1)Cc1ncccc1F ZINC001207026069 1133761856 /nfs/dbraw/zinc/76/18/56/1133761856.db2.gz DDBILOZGTOVNIM-UHFFFAOYSA-N 0 1 272.367 3.879 20 0 CHADMN Cc1cncc(CN2CCCC[C@H]2c2cccnc2)c1 ZINC001207157002 1133773600 /nfs/dbraw/zinc/77/36/00/1133773600.db2.gz QXLNVSFGYQBRGG-KRWDZBQOSA-N 0 1 267.376 3.512 20 0 CHADMN C[C@H](CCN(C)Cc1ccns1)c1ccccc1 ZINC001207166471 1133773627 /nfs/dbraw/zinc/77/36/27/1133773627.db2.gz CPYWCOMSMLFLGY-CYBMUJFWSA-N 0 1 260.406 3.769 20 0 CHADMN FC[C@H]1CCN(Cc2ccc(Oc3ccccc3)o2)C1 ZINC001207302264 1133789879 /nfs/dbraw/zinc/78/98/79/1133789879.db2.gz PAFKVYIFTJJMPJ-CYBMUJFWSA-N 0 1 275.323 3.863 20 0 CHADMN CC(C)(CN1C[C@@H]2C[C@H]1CO2)Sc1ccc(Cl)cc1 ZINC001207296198 1133789895 /nfs/dbraw/zinc/78/98/95/1133789895.db2.gz IKCMZPGLOHXHFJ-STQMWFEESA-N 0 1 297.851 3.684 20 0 CHADMN C[C@H]1COCCN1CC(C)(C)Sc1ccc(Cl)cc1 ZINC001207295610 1133790701 /nfs/dbraw/zinc/79/07/01/1133790701.db2.gz WHYWCJUGXFYQRW-LBPRGKRZSA-N 0 1 299.867 3.931 20 0 CHADMN CC1(C)CN(CCc2cccc(Cl)c2)CC(C)(C)O1 ZINC001207425835 1133800246 /nfs/dbraw/zinc/80/02/46/1133800246.db2.gz NTQBDEYDLPBAJP-UHFFFAOYSA-N 0 1 281.827 3.772 20 0 CHADMN O=C1CCN(CCCc2ccccc2F)[C@H]2CCCC[C@@H]12 ZINC001207490618 1133808085 /nfs/dbraw/zinc/80/80/85/1133808085.db2.gz VCHOUJZYIFVDMD-WBVHZDCISA-N 0 1 289.394 3.592 20 0 CHADMN CC(C)[N@@H+](CCc1ccc(F)cc1)CC(=O)c1ccccc1 ZINC001207517283 1133811725 /nfs/dbraw/zinc/81/17/25/1133811725.db2.gz NRGNITYYRKUNTN-UHFFFAOYSA-N 0 1 299.389 3.962 20 0 CHADMN CC(C)N(CCc1ccc(F)cc1)CC(=O)c1ccccc1 ZINC001207517283 1133811730 /nfs/dbraw/zinc/81/17/30/1133811730.db2.gz NRGNITYYRKUNTN-UHFFFAOYSA-N 0 1 299.389 3.962 20 0 CHADMN COc1ccc(CCC[N@H+]2Cc3ccc(F)cc3C2)cc1 ZINC001207582917 1133822287 /nfs/dbraw/zinc/82/22/87/1133822287.db2.gz VVRPYTKJKJQYLT-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN COc1ccc(CCCN2Cc3ccc(F)cc3C2)cc1 ZINC001207582917 1133822291 /nfs/dbraw/zinc/82/22/91/1133822291.db2.gz VVRPYTKJKJQYLT-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN C[C@H]1C(=O)CC[N@@H+](CC2(c3ccccc3)CC2)C12CCCC2 ZINC001207840122 1133852900 /nfs/dbraw/zinc/85/29/00/1133852900.db2.gz DNIYNUWHXSUYJQ-INIZCTEOSA-N 0 1 297.442 3.942 20 0 CHADMN C[C@H]1CCC[C@H](CN2CC(Oc3ccccc3)C2)C1 ZINC001207865332 1133855454 /nfs/dbraw/zinc/85/54/54/1133855454.db2.gz MOWSOWRFBZGBJL-GJZGRUSLSA-N 0 1 259.393 3.576 20 0 CHADMN Cc1ccc(CCCN2CCC[C@@H]2c2nccs2)o1 ZINC001207952417 1133869701 /nfs/dbraw/zinc/86/97/01/1133869701.db2.gz UZXPUNFCUPDGIJ-CQSZACIVSA-N 0 1 276.405 3.814 20 0 CHADMN c1ccc(CN(Cc2ccncc2)C[C@H]2CCCCO2)cc1 ZINC001207955148 1133870033 /nfs/dbraw/zinc/87/00/33/1133870033.db2.gz ZBVAZPYEZHORJA-LJQANCHMSA-N 0 1 296.414 3.653 20 0 CHADMN CC1(C)CN(CCc2c(F)cccc2F)CCC1(F)F ZINC001208112025 1133877137 /nfs/dbraw/zinc/87/71/37/1133877137.db2.gz IVDQILPWFMAAAA-UHFFFAOYSA-N 0 1 289.316 3.875 20 0 CHADMN CS[C@@H](C)CCN(C)Cc1ncccc1C(F)(F)F ZINC001208138409 1133885353 /nfs/dbraw/zinc/88/53/53/1133885353.db2.gz JMRRULQUFLDTQW-JTQLQIEISA-N 0 1 292.370 3.674 20 0 CHADMN Cc1ccc([C@H](C)CCN(C)Cc2cncs2)o1 ZINC001208164677 1133890047 /nfs/dbraw/zinc/89/00/47/1133890047.db2.gz ATMJRJZDXVCIFM-LLVKDONJSA-N 0 1 264.394 3.670 20 0 CHADMN Cc1ccc([C@@H](C)CCN2CCC[C@@H]2c2ncccn2)o1 ZINC001208159191 1133891174 /nfs/dbraw/zinc/89/11/74/1133891174.db2.gz AMFDDAIQIDHEDB-DZGCQCFKSA-N 0 1 285.391 3.709 20 0 CHADMN CC1=C[C@@H](C)[C@@H](CN(C)Cc2nccs2)CC1 ZINC001208179953 1133900604 /nfs/dbraw/zinc/90/06/04/1133900604.db2.gz COBMCTZPUDYHAC-CHWSQXEVSA-N 0 1 250.411 3.567 20 0 CHADMN COC(=O)c1cccc2c1CN(C[C@@H]1CCC(C)=C[C@H]1C)C2 ZINC001208182257 1133901036 /nfs/dbraw/zinc/90/10/36/1133901036.db2.gz SEVXTWZPYIAMLT-CABCVRRESA-N 0 1 299.414 3.781 20 0 CHADMN CC/C=C\CCCCCN1CCC(=O)[C@H](F)CC1 ZINC001208190288 1133902074 /nfs/dbraw/zinc/90/20/74/1133902074.db2.gz MWPWRVSUBLHHSX-VQTKUKTRSA-N 0 1 255.377 3.516 20 0 CHADMN C[C@H](CCN1CCN(c2nccs2)CC1)CC(C)(C)C ZINC001208653751 1133922491 /nfs/dbraw/zinc/92/24/91/1133922491.db2.gz ISSGRCDJTCVUET-CQSZACIVSA-N 0 1 295.496 3.728 20 0 CHADMN Fc1ccc(CCCN2CCOC[C@@H]2c2ccccc2)cc1 ZINC001208766693 1133941832 /nfs/dbraw/zinc/94/18/32/1133941832.db2.gz DZUKESSJHJVUKG-LJQANCHMSA-N 0 1 299.389 3.832 20 0 CHADMN c1c2ccccn2nc1N=C1CCN(c2ccccc2)CC1 ZINC001209041237 1133971215 /nfs/dbraw/zinc/97/12/15/1133971215.db2.gz KKALIIFOWGUNAI-UHFFFAOYSA-N 0 1 290.370 3.540 20 0 CHADMN Fc1ccc(CCN2CCC[C@@H](C(F)F)C2)c(Cl)c1 ZINC001209112128 1133976182 /nfs/dbraw/zinc/97/61/82/1133976182.db2.gz IKOVTGWLJBORQM-LLVKDONJSA-N 0 1 291.744 3.999 20 0 CHADMN Fc1cc(F)cc(CCN2CCC[C@H]2c2cccnc2)c1 ZINC001209127537 1133979046 /nfs/dbraw/zinc/97/90/46/1133979046.db2.gz FCNMRSXQUFBNRM-KRWDZBQOSA-N 0 1 288.341 3.739 20 0 CHADMN C[N@@H+](CCc1cc(F)cc(F)c1)Cc1ccccc1F ZINC001209137488 1133980388 /nfs/dbraw/zinc/98/03/88/1133980388.db2.gz QKJXANBYORVGNG-UHFFFAOYSA-N 0 1 279.305 3.778 20 0 CHADMN Fc1cc(F)cc(CCN2CC(c3ccccc3)C2)c1 ZINC001209140096 1133980663 /nfs/dbraw/zinc/98/06/63/1133980663.db2.gz IFMMUXHRFMGMJH-UHFFFAOYSA-N 0 1 273.326 3.607 20 0 CHADMN Fc1cc(F)cc(CC[N@H+]2CCCCC23CC3)c1 ZINC001209139590 1133981213 /nfs/dbraw/zinc/98/12/13/1133981213.db2.gz CJNJUQBAASLTMW-UHFFFAOYSA-N 0 1 251.320 3.526 20 0 CHADMN COCCCCN1CCSC[C@@H]1c1cccc(Cl)c1 ZINC001209218637 1133989345 /nfs/dbraw/zinc/98/93/45/1133989345.db2.gz KAKRXZUDLIGESX-OAHLLOKOSA-N 0 1 299.867 3.857 20 0 CHADMN CC[C@H]1CCC[N@@H+](CCc2cc(F)c(F)cc2F)C1 ZINC001209252816 1133996718 /nfs/dbraw/zinc/99/67/18/1133996718.db2.gz OFEMQRHUOLSJHR-NSHDSACASA-N 0 1 271.326 3.768 20 0 CHADMN FC(F)(F)c1ccccc1CCN1CCn2cccc2C1 ZINC001209285361 1134001786 /nfs/dbraw/zinc/00/17/86/1134001786.db2.gz LNZDLEDYUXYQFD-UHFFFAOYSA-N 0 1 294.320 3.565 20 0 CHADMN Cc1n[nH]cc1CN1CCC(c2ccccc2Cl)CC1 ZINC001209559602 1134036424 /nfs/dbraw/zinc/03/64/24/1134036424.db2.gz YMXTXMVDROLROX-UHFFFAOYSA-N 0 1 289.810 3.751 20 0 CHADMN COc1ccccc1C1CCN(Cc2cncs2)CC1 ZINC001209550082 1134037062 /nfs/dbraw/zinc/03/70/62/1134037062.db2.gz IPFQCDJMVRRDEI-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN Cc1ccc(C[N@@H+](C)Cc2c[nH]c3cc(F)ccc23)cn1 ZINC001209696515 1134050641 /nfs/dbraw/zinc/05/06/41/1134050641.db2.gz VGUDODPXPNFYRI-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN Cc1ccc(CN(C)Cc2c[nH]c3cc(F)ccc23)cn1 ZINC001209696515 1134050648 /nfs/dbraw/zinc/05/06/48/1134050648.db2.gz VGUDODPXPNFYRI-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN CCCC[N@@H+](C)Cc1ccc(Cl)c(OC)c1F ZINC001209699819 1134052265 /nfs/dbraw/zinc/05/22/65/1134052265.db2.gz USCKDGQMGAWYIM-UHFFFAOYSA-N 0 1 259.752 3.720 20 0 CHADMN CCCCN(C)Cc1ccc(Cl)c(OC)c1F ZINC001209699819 1134052271 /nfs/dbraw/zinc/05/22/71/1134052271.db2.gz USCKDGQMGAWYIM-UHFFFAOYSA-N 0 1 259.752 3.720 20 0 CHADMN Clc1ccc2[nH]nc(C[NH+]3CCC4(CC4)CC3)c2c1 ZINC001209752870 1134058137 /nfs/dbraw/zinc/05/81/37/1134058137.db2.gz NEAVISDLXZCKOY-UHFFFAOYSA-N 0 1 275.783 3.592 20 0 CHADMN C[C@@H]1CCC[N@H+](Cc2n[nH]c3ccc(Cl)cc32)[C@H]1C ZINC001209755398 1134059031 /nfs/dbraw/zinc/05/90/31/1134059031.db2.gz JFGYJZQQSJMYDR-MNOVXSKESA-N 0 1 277.799 3.837 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)[C@H]1C ZINC001209755398 1134059038 /nfs/dbraw/zinc/05/90/38/1134059038.db2.gz JFGYJZQQSJMYDR-MNOVXSKESA-N 0 1 277.799 3.837 20 0 CHADMN C[C@@H]1CCCN(Cc2n[nH]c3ccc(Cl)cc32)[C@H]1C ZINC001209755398 1134059045 /nfs/dbraw/zinc/05/90/45/1134059045.db2.gz JFGYJZQQSJMYDR-MNOVXSKESA-N 0 1 277.799 3.837 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1ccccc1N(C)C ZINC001209778481 1134062688 /nfs/dbraw/zinc/06/26/88/1134062688.db2.gz DHJINSDCPVSYOD-HNNXBMFYSA-N 0 1 298.430 3.954 20 0 CHADMN Cc1cc(Nc2ccc3c(c2)NCCO3)c2ccccc2n1 ZINC001209792661 1134064628 /nfs/dbraw/zinc/06/46/28/1134064628.db2.gz TUZJBGNSRBRXIB-UHFFFAOYSA-N 0 1 291.354 3.513 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2cnccn2)cc1C ZINC001209788978 1134065194 /nfs/dbraw/zinc/06/51/94/1134065194.db2.gz RGWZAXXPKXTTGL-SFHVURJKSA-N 0 1 281.403 3.821 20 0 CHADMN CC(C)Oc1ccc(Nc2cc(=O)[nH]c(Cl)n2)c(F)c1 ZINC001209834707 1134075494 /nfs/dbraw/zinc/07/54/94/1134075494.db2.gz NBVJYOZARRYZMA-UHFFFAOYSA-N 0 1 297.717 3.506 20 0 CHADMN Fc1ccc(-n2nccc2Nc2ccc3nc[nH]c3c2)cc1 ZINC001209844272 1134078544 /nfs/dbraw/zinc/07/85/44/1134078544.db2.gz KVPPLNFAIDURAR-UHFFFAOYSA-N 0 1 293.305 3.631 20 0 CHADMN c1nc2ccc(Nc3cccnc3C3CC3)cc2[nH]1 ZINC001209845259 1134079017 /nfs/dbraw/zinc/07/90/17/1134079017.db2.gz VHFUCIVWOYDGNA-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN Cc1c2ccc(Nc3ccc4nc[nH]c4c3)cc2nn1C ZINC001209847875 1134080621 /nfs/dbraw/zinc/08/06/21/1134080621.db2.gz WSWJSJKXZJCNOB-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN COc1ccc(C)cc1Nc1ccc2nc[nH]c2c1 ZINC001209848078 1134080719 /nfs/dbraw/zinc/08/07/19/1134080719.db2.gz HEYJJSKFHVBRKH-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Oc1cc(Nc2ccc3nc[nH]c3c2)c(F)cc1Cl ZINC001209846437 1134080746 /nfs/dbraw/zinc/08/07/46/1134080746.db2.gz BVAUUVUVGCIGHT-UHFFFAOYSA-N 0 1 277.686 3.805 20 0 CHADMN Cc1nccn1-c1ccc(Nc2ccc3nc[nH]c3c2)cc1 ZINC001209847654 1134082107 /nfs/dbraw/zinc/08/21/07/1134082107.db2.gz ULKGLBANEHBUHK-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN COCc1ccc(Nc2ccc3nc[nH]c3c2)cc1F ZINC001209850654 1134084120 /nfs/dbraw/zinc/08/41/20/1134084120.db2.gz DZLNKCSHIDMHEY-UHFFFAOYSA-N 0 1 271.295 3.592 20 0 CHADMN O[C@H]1CCCc2ccc(Nc3ccc4nc[nH]c4c3)cc21 ZINC001209850444 1134084590 /nfs/dbraw/zinc/08/45/90/1134084590.db2.gz AYUNPADLMZTJNY-KRWDZBQOSA-N 0 1 279.343 3.676 20 0 CHADMN Cc1nn(C)c2ccc(Nc3ccc4nc[nH]c4c3)cc12 ZINC001209849024 1134084703 /nfs/dbraw/zinc/08/47/03/1134084703.db2.gz SUDXPAKUHVCHCK-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Fc1ccc(Nc2ccc3nc[nH]c3c2)c2ccncc12 ZINC001209851151 1134087083 /nfs/dbraw/zinc/08/70/83/1134087083.db2.gz JGCQGGDEXYOQJR-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Cc1cnn(-c2cccc(C)c2)c1Nc1cnc(N)cc1C ZINC001209966622 1134111459 /nfs/dbraw/zinc/11/14/59/1134111459.db2.gz IDBXKECXQCLCMR-UHFFFAOYSA-N 0 1 293.374 3.518 20 0 CHADMN Cc1cc(N)ncc1Nc1cc2ccccc2cc1O ZINC001209966465 1134111689 /nfs/dbraw/zinc/11/16/89/1134111689.db2.gz AYDRWEVWMWPDJS-UHFFFAOYSA-N 0 1 265.316 3.575 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(Cl)c2cccnc12 ZINC001209970855 1134112162 /nfs/dbraw/zinc/11/21/62/1134112162.db2.gz GSFKWTKIVZIOSD-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(-c2cccnc2)cc1 ZINC001209970037 1134112595 /nfs/dbraw/zinc/11/25/95/1134112595.db2.gz RCRCLRCSCMXSMM-UHFFFAOYSA-N 0 1 276.343 3.778 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc(C(=O)OC(C)(C)C)c1 ZINC001209969533 1134112643 /nfs/dbraw/zinc/11/26/43/1134112643.db2.gz KQWDZYQFEKKWLB-UHFFFAOYSA-N 0 1 299.374 3.671 20 0 CHADMN Cc1cc(Nc2cnc(N)cc2C)c(Cl)cc1F ZINC001209969539 1134113005 /nfs/dbraw/zinc/11/30/05/1134113005.db2.gz KXQBCBUASVQJHJ-UHFFFAOYSA-N 0 1 265.719 3.817 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(=O)[nH]c2ccccc12 ZINC001210100637 1134145668 /nfs/dbraw/zinc/14/56/68/1134145668.db2.gz WEIKFNAJLSFQDB-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2ocnc2c1 ZINC001210102558 1134146384 /nfs/dbraw/zinc/14/63/84/1134146384.db2.gz PPESYQQLXAQWKL-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2c(cnn2C)c1 ZINC001210102547 1134146406 /nfs/dbraw/zinc/14/64/06/1134146406.db2.gz PMFBDCYIYDDJDF-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN COC(=O)c1ccc(Nc2cc3cn[nH]c3cc2C)c(C)c1 ZINC001210103077 1134146847 /nfs/dbraw/zinc/14/68/47/1134146847.db2.gz UOTQAUVOLKPOOA-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1cc(Cl)nc(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210102118 1134146996 /nfs/dbraw/zinc/14/69/96/1134146996.db2.gz LMHWYEBPVYEYNE-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccnn1-c1ccccc1 ZINC001210101601 1134147071 /nfs/dbraw/zinc/14/70/71/1134147071.db2.gz HOUZPTLQDOYTIR-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN COc1cc(F)cc(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210105393 1134148179 /nfs/dbraw/zinc/14/81/79/1134148179.db2.gz ZOHYPDLOOOBUGS-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN COc1ccc(F)c(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210105339 1134148290 /nfs/dbraw/zinc/14/82/90/1134148290.db2.gz XIWNJNJTTMILKH-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN CCc1ccc(N)c(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210106215 1134149420 /nfs/dbraw/zinc/14/94/20/1134149420.db2.gz NIWDODQGCQGBPO-UHFFFAOYSA-N 0 1 266.348 3.760 20 0 CHADMN CC1(C)CC=C(Nc2cn(CC(F)(F)F)cn2)CC1 ZINC001210165746 1134158532 /nfs/dbraw/zinc/15/85/32/1134158532.db2.gz KFUIFBORSYEBEK-UHFFFAOYSA-N 0 1 273.302 3.951 20 0 CHADMN CC1(C)CC=C(Nc2cn(C3CCOCC3)cn2)CC1 ZINC001210165857 1134159362 /nfs/dbraw/zinc/15/93/62/1134159362.db2.gz LERDMWLZCUDEGC-UHFFFAOYSA-N 0 1 275.396 3.741 20 0 CHADMN CNC(=O)c1ccc(N=C2CCC(C)(C)CC2)c(F)c1 ZINC001210168706 1134159566 /nfs/dbraw/zinc/15/95/66/1134159566.db2.gz VNQAYMZSZNXOCL-UHFFFAOYSA-N 0 1 276.355 3.691 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(C(C)(C)O)cc1 ZINC001210617049 1134260879 /nfs/dbraw/zinc/26/08/79/1134260879.db2.gz KOZDPWCXMZEDRR-UHFFFAOYSA-N 0 1 299.349 3.753 20 0 CHADMN Cc1ccc2nc(N)n(-c3cc4cc(F)ccc4o3)c2c1 ZINC001210724203 1134282241 /nfs/dbraw/zinc/28/22/41/1134282241.db2.gz DINFINZKVOSOAV-UHFFFAOYSA-N 0 1 281.290 3.801 20 0 CHADMN Oc1c(Cl)cc(Nc2ccccn2)cc1Cl ZINC001210923205 1134328217 /nfs/dbraw/zinc/32/82/17/1134328217.db2.gz MYRGLVYCUIADFC-UHFFFAOYSA-N 0 1 255.104 3.838 20 0 CHADMN Oc1c(Cl)cc(Nc2cncs2)cc1Cl ZINC001210924374 1134329464 /nfs/dbraw/zinc/32/94/64/1134329464.db2.gz KOATYUBURMKWQW-UHFFFAOYSA-N 0 1 261.133 3.899 20 0 CHADMN Oc1c(Cl)cc(Nc2cnncc2Cl)cc1Cl ZINC001210927240 1134329404 /nfs/dbraw/zinc/32/94/04/1134329404.db2.gz SEIXCVJOIAPAQW-UHFFFAOYSA-N 0 1 290.537 3.886 20 0 CHADMN CC(=Nc1ccc2nnc(C(C)C)n2c1)c1ccccc1 ZINC001210985325 1134342297 /nfs/dbraw/zinc/34/22/97/1134342297.db2.gz LOYHAPKVRVTCBB-UHFFFAOYSA-N 0 1 278.359 3.936 20 0 CHADMN CC(=Nc1ccc(S(=O)(=O)C2CC2)cc1)c1ccccc1 ZINC001210986652 1134342658 /nfs/dbraw/zinc/34/26/58/1134342658.db2.gz AEDNQLHOILOXJT-UHFFFAOYSA-N 0 1 299.395 3.706 20 0 CHADMN CCOC(=O)c1ccc(N=C(C)c2ccccc2)cc1 ZINC001210987963 1134344055 /nfs/dbraw/zinc/34/40/55/1134344055.db2.gz XJCOFJVCMUHSLY-UHFFFAOYSA-N 0 1 267.328 3.946 20 0 CHADMN O=C(C1CC1)N1CCC(=Nc2cc3ccccc3s2)CC1 ZINC001211181564 1134386061 /nfs/dbraw/zinc/38/60/61/1134386061.db2.gz UDBPQXRZGSFGLI-UHFFFAOYSA-N 0 1 298.411 3.839 20 0 CHADMN Cc1cc(Oc2ccccc2)ncc1Nc1cncn1C ZINC001211247012 1134398033 /nfs/dbraw/zinc/39/80/33/1134398033.db2.gz DPEABNRFLZXYNF-UHFFFAOYSA-N 0 1 280.331 3.659 20 0 CHADMN Cc1c(Cl)cc(Nc2cncn2C)cc1Cl ZINC001211248853 1134398417 /nfs/dbraw/zinc/39/84/17/1134398417.db2.gz GYGRFQWJAXQIPT-UHFFFAOYSA-N 0 1 256.136 3.779 20 0 CHADMN Cn1cncc1Nc1cccc2c(Cl)ncc(F)c12 ZINC001211252322 1134399477 /nfs/dbraw/zinc/39/94/77/1134399477.db2.gz JZBJQRFAMMDISJ-UHFFFAOYSA-N 0 1 276.702 3.504 20 0 CHADMN CCC(CC)Oc1ccc(Nc2cncn2C)cc1 ZINC001211252480 1134400046 /nfs/dbraw/zinc/40/00/46/1134400046.db2.gz OLRFGDYGWZOSLB-UHFFFAOYSA-N 0 1 259.353 3.731 20 0 CHADMN COc1cc(Cl)c(Nc2ccncc2OC)c(Cl)c1 ZINC001211263675 1134400203 /nfs/dbraw/zinc/40/02/03/1134400203.db2.gz FCWHLUHWAFBUGF-UHFFFAOYSA-N 0 1 299.157 3.571 20 0 CHADMN Cn1cncc1Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001211251002 1134400271 /nfs/dbraw/zinc/40/02/71/1134400271.db2.gz TTWNBTHMSOEJKD-UHFFFAOYSA-N 0 1 285.347 3.595 20 0 CHADMN Cn1cncc1Nc1cc(F)c(OCC2CCC2)c(F)c1 ZINC001211253893 1134400470 /nfs/dbraw/zinc/40/04/70/1134400470.db2.gz MTBLIQAQMBCZDB-UHFFFAOYSA-N 0 1 293.317 3.621 20 0 CHADMN [NH3+]C1(c2ccc(-c3cc(F)c([O-])cc3F)cc2)CCC1 ZINC001211349796 1134411393 /nfs/dbraw/zinc/41/13/93/1134411393.db2.gz GRMHETWLXCLIKC-UHFFFAOYSA-N 0 1 275.298 3.675 20 0 CHADMN COc1cc2cccnc2c(-c2cc(F)c(O)cc2F)c1 ZINC001211360881 1134412775 /nfs/dbraw/zinc/41/27/75/1134412775.db2.gz YRTRZTTVIKTIMI-UHFFFAOYSA-N 0 1 287.265 3.894 20 0 CHADMN Cc1nc2cc(Nc3ccnc(Cl)c3C)ccc2[nH]1 ZINC001213072385 1134418384 /nfs/dbraw/zinc/41/83/84/1134418384.db2.gz QOHJPBFLQPTIMK-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1nc2cc(Nc3c(Cl)cccc3CO)ccc2[nH]1 ZINC001213074348 1134420219 /nfs/dbraw/zinc/42/02/19/1134420219.db2.gz QCPPPDCNOZZMLB-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1nc2cc(Nc3cccc4nccnc43)ccc2[nH]1 ZINC001213074155 1134420268 /nfs/dbraw/zinc/42/02/68/1134420268.db2.gz GPKUSFBDAFUIOA-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1nc2cc(Nc3cccc4cnncc43)ccc2[nH]1 ZINC001213074152 1134420977 /nfs/dbraw/zinc/42/09/77/1134420977.db2.gz GLUVFEIOBMIUNP-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN CC(=O)c1cc(Nc2ccc3[nH]c(C)nc3c2)ccc1O ZINC001213075072 1134421201 /nfs/dbraw/zinc/42/12/01/1134421201.db2.gz BQIPQFVVZBSTGK-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN Cc1nc2cc(Nc3cnc4cccc(O)c4c3)ccc2[nH]1 ZINC001213072468 1134421424 /nfs/dbraw/zinc/42/14/24/1134421424.db2.gz VLGSFPRYUWJWCZ-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN CN(c1ccnc(C(C)(C)C)c1)c1nc(Cl)ccc1N ZINC001213164303 1134432539 /nfs/dbraw/zinc/43/25/39/1134432539.db2.gz NEAVQDOTSMCUGA-UHFFFAOYSA-N 0 1 290.798 3.778 20 0 CHADMN Cc1cc(Nc2ccnc(C(C)(C)C)c2)n(CCF)n1 ZINC001213164045 1134432965 /nfs/dbraw/zinc/43/29/65/1134432965.db2.gz GRFFXBZGURJDBD-UHFFFAOYSA-N 0 1 276.359 3.597 20 0 CHADMN CCOc1ccc(Nc2ccncc2)c(C(F)(F)F)c1 ZINC001213232080 1134436871 /nfs/dbraw/zinc/43/68/71/1134436871.db2.gz SPSCUPSOMHUTDM-UHFFFAOYSA-N 0 1 282.265 3.665 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc(C4CC4)cc3F)c2c1 ZINC001213457294 1134450140 /nfs/dbraw/zinc/45/01/40/1134450140.db2.gz PTJOCYMPNNDANB-UHFFFAOYSA-N 0 1 281.334 3.933 20 0 CHADMN Cc1ccc(-c2noc(-c3cc(Cl)[nH]n3)n2)cc1Cl ZINC001213500436 1134456739 /nfs/dbraw/zinc/45/67/39/1134456739.db2.gz IHPNLTFWDJPNIY-UHFFFAOYSA-N 0 1 295.129 3.742 20 0 CHADMN Cc1n[nH]c(S[C@@H]2CCCCc3ccccc32)n1 ZINC000177227506 1134490185 /nfs/dbraw/zinc/49/01/85/1134490185.db2.gz AVTTXNDBTMFPPD-CYBMUJFWSA-N 0 1 259.378 3.673 20 0 CHADMN Cc1nnc(S[C@@H]2CCCCc3ccccc32)[nH]1 ZINC000177227506 1134490183 /nfs/dbraw/zinc/49/01/83/1134490183.db2.gz AVTTXNDBTMFPPD-CYBMUJFWSA-N 0 1 259.378 3.673 20 0 CHADMN Fc1cc(N2CCCC2)ccc1Nc1ccc2nccn2c1 ZINC001213845930 1134490308 /nfs/dbraw/zinc/49/03/08/1134490308.db2.gz IQTSMKKRGANUSV-UHFFFAOYSA-N 0 1 296.349 3.817 20 0 CHADMN CCc1ccc(CNCc2ccc(Br)o2)cc1 ZINC000178451968 1134514740 /nfs/dbraw/zinc/51/47/40/1134514740.db2.gz CGZDAEVEQDMBBM-UHFFFAOYSA-N 0 1 294.192 3.894 20 0 CHADMN CCOc1cc(-n2c(N)nc3c2cccc3C)ccc1C ZINC001214320868 1134528093 /nfs/dbraw/zinc/52/80/93/1134528093.db2.gz HPNGBTZIVZBHOS-UHFFFAOYSA-N 0 1 281.359 3.623 20 0 CHADMN Cc1cc(Cl)c(Nc2nccn2C)c(Cl)c1 ZINC001214494497 1134544658 /nfs/dbraw/zinc/54/46/58/1134544658.db2.gz QSWHHQXAZVZAMW-UHFFFAOYSA-N 0 1 256.136 3.779 20 0 CHADMN Oc1c(Cl)ccc(Nc2ncnc3sccc32)c1F ZINC001214791048 1134572058 /nfs/dbraw/zinc/57/20/58/1134572058.db2.gz IRSVGBOJXZFHGD-UHFFFAOYSA-N 0 1 295.726 3.933 20 0 CHADMN Oc1c(Cl)ccc(Nc2ncc3ccccc3n2)c1F ZINC001214790924 1134572674 /nfs/dbraw/zinc/57/26/74/1134572674.db2.gz BKWUSZYXLRDJIW-UHFFFAOYSA-N 0 1 289.697 3.872 20 0 CHADMN Nc1ccc2c(ccn2-c2ccc(Cl)c(O)c2F)c1 ZINC001214797723 1134573012 /nfs/dbraw/zinc/57/30/12/1134573012.db2.gz DYLUXZRPLRHOJU-UHFFFAOYSA-N 0 1 276.698 3.711 20 0 CHADMN Cc1ccc(Nc2ccc(Cl)c(O)c2F)c(C)n1 ZINC001214791043 1134573536 /nfs/dbraw/zinc/57/35/36/1134573536.db2.gz IPHNYZUUOSKCGE-UHFFFAOYSA-N 0 1 266.703 3.940 20 0 CHADMN Cn1nc2c(c1Nc1ccc(Cl)c(O)c1F)CCCC2 ZINC001214796289 1134573834 /nfs/dbraw/zinc/57/38/34/1134573834.db2.gz NFLCXFAAEGRMSO-UHFFFAOYSA-N 0 1 295.745 3.541 20 0 CHADMN Oc1c(Cl)ccc(Nc2cccc3nccnc32)c1F ZINC001214802279 1134575315 /nfs/dbraw/zinc/57/53/15/1134575315.db2.gz ZDJCYQUGOJOUQL-UHFFFAOYSA-N 0 1 289.697 3.872 20 0 CHADMN Cn1ncc2cccc(Nc3ccc(Cl)c(O)c3F)c21 ZINC001214801143 1134575485 /nfs/dbraw/zinc/57/54/85/1134575485.db2.gz AQRWWORRQSHQJE-UHFFFAOYSA-N 0 1 291.713 3.815 20 0 CHADMN Oc1cc(F)c(F)cc1Nc1ccc(Cl)c(O)c1F ZINC001214804680 1134576656 /nfs/dbraw/zinc/57/66/56/1134576656.db2.gz WYSAPGLBJJHVDD-UHFFFAOYSA-N 0 1 289.640 3.912 20 0 CHADMN Cc1cc(CO)cc(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214807167 1134576889 /nfs/dbraw/zinc/57/68/89/1134576889.db2.gz VSICWXQTJSPSMP-UHFFFAOYSA-N 0 1 281.714 3.729 20 0 CHADMN CC(=O)c1ccc(Nc2ccc3nccn3c2)c(F)c1F ZINC001214978427 1134589933 /nfs/dbraw/zinc/58/99/33/1134589933.db2.gz JPGPGERNVHDPKZ-UHFFFAOYSA-N 0 1 287.269 3.559 20 0 CHADMN Clc1ccnc(CN2CCC3(CCCC3)C2)c1 ZINC000304423389 1134591954 /nfs/dbraw/zinc/59/19/54/1134591954.db2.gz RITFCQJVRZHFAJ-UHFFFAOYSA-N 0 1 250.773 3.501 20 0 CHADMN COc1ccc(Cl)cc1N[C@H]1CCCc2[nH]ncc21 ZINC000401580552 1134616846 /nfs/dbraw/zinc/61/68/46/1134616846.db2.gz DAJPLBRPIONWJO-NSHDSACASA-N 0 1 277.755 3.561 20 0 CHADMN Cc1ccc(N[C@H]2CCCc3[nH]ncc32)c2cccnc12 ZINC000401614936 1134618386 /nfs/dbraw/zinc/61/83/86/1134618386.db2.gz QFZYUZPWEHAABJ-AWEZNQCLSA-N 0 1 278.359 3.756 20 0 CHADMN CCCOc1ccc(Nc2cc(=O)[nH]c(Cl)n2)c(F)c1 ZINC001215488909 1134632325 /nfs/dbraw/zinc/63/23/25/1134632325.db2.gz NYKFNGYGGKEAHS-UHFFFAOYSA-N 0 1 297.717 3.507 20 0 CHADMN Fc1cc(Nc2cccc3ncccc32)cc2[nH]ncc21 ZINC001215554845 1134640772 /nfs/dbraw/zinc/64/07/72/1134640772.db2.gz JXVWRNFOFFCSQH-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Cc1nc2c(Nc3cc4[nH]ncc4c(F)c3)cccn2c1C ZINC001215554692 1134641261 /nfs/dbraw/zinc/64/12/61/1134641261.db2.gz FCSWUIPXULUJAX-UHFFFAOYSA-N 0 1 295.321 3.710 20 0 CHADMN COc1ccc(C)c(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215555459 1134641367 /nfs/dbraw/zinc/64/13/67/1134641367.db2.gz XGZDSKYTLTYKIN-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Nc1ccc(Nc2cc3[nH]ncc3c(F)c2)c(Cl)c1 ZINC001215555116 1134641431 /nfs/dbraw/zinc/64/14/31/1134641431.db2.gz CCNJNGLFVHVYHP-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN COc1c(F)ccc(Nc2cc3[nH]ncc3c(F)c2)c1F ZINC001215556881 1134642460 /nfs/dbraw/zinc/64/24/60/1134642460.db2.gz LLHIEPOPVQEOPF-UHFFFAOYSA-N 0 1 293.248 3.732 20 0 CHADMN CCOc1ccc(Nc2cc3[nH]ncc3c(F)c2)c(F)c1 ZINC001215557241 1134642534 /nfs/dbraw/zinc/64/25/34/1134642534.db2.gz XMBCOTAIFRSVAU-UHFFFAOYSA-N 0 1 289.285 3.983 20 0 CHADMN CCc1ccc(C)nc1Nc1ccc(C)c2[nH]ncc21 ZINC001215754009 1134673730 /nfs/dbraw/zinc/67/37/30/1134673730.db2.gz KTIOULOFXJLZNR-UHFFFAOYSA-N 0 1 266.348 3.881 20 0 CHADMN COc1cc(C(C)=O)ccc1Nc1ccc(C)c2[nH]ncc21 ZINC001215757949 1134676615 /nfs/dbraw/zinc/67/66/15/1134676615.db2.gz APQIRLOZZDYJNB-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN COc1ccc(F)c(Nc2ccc(C)c3[nH]ncc32)c1F ZINC001215759867 1134677493 /nfs/dbraw/zinc/67/74/93/1134677493.db2.gz ZZSKAQWUWMJIAJ-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN CC(=O)Nc1cc(Nc2ccc(C)c3[nH]ncc32)ccc1C ZINC001215758738 1134677528 /nfs/dbraw/zinc/67/75/28/1134677528.db2.gz WHHPNMCBLZFGFT-UHFFFAOYSA-N 0 1 294.358 3.882 20 0 CHADMN Cc1ccc(Nc2cc3snnc3c(C)c2)c2cn[nH]c21 ZINC001215760163 1134677753 /nfs/dbraw/zinc/67/77/53/1134677753.db2.gz IAEDGNFODFRCBU-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN Cc1ccc(Nc2ccc3c(c2)N(C)CC3)c2cn[nH]c21 ZINC001215760263 1134678329 /nfs/dbraw/zinc/67/83/29/1134678329.db2.gz KEFSYYNHDCSCGN-UHFFFAOYSA-N 0 1 278.359 3.607 20 0 CHADMN Cc1ccc(Nc2ccc3c(c2)[C@H](O)CC3)c2cn[nH]c21 ZINC001215760833 1134678778 /nfs/dbraw/zinc/67/87/78/1134678778.db2.gz XQUHLLHYPWMOCQ-MRXNPFEDSA-N 0 1 279.343 3.595 20 0 CHADMN Oc1ccc(-c2nc(-c3cc(F)cc(F)c3)no2)cc1F ZINC001215791707 1134687309 /nfs/dbraw/zinc/68/73/09/1134687309.db2.gz FBIAAHFIUOLVBP-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN Oc1ccc(-c2nc(-c3cccc(F)c3F)no2)cc1F ZINC001215792231 1134687689 /nfs/dbraw/zinc/68/76/89/1134687689.db2.gz LRQGEMZMRIGKDE-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN CSc1cc(-n2c(N)nc3ccc(C)cc32)ccc1F ZINC001215794613 1134689205 /nfs/dbraw/zinc/68/92/05/1134689205.db2.gz ZIPIQEYEZOPICM-UHFFFAOYSA-N 0 1 287.363 3.777 20 0 CHADMN Clc1cc2[nH]ncc2c(Nc2ccc3nccnc3c2)c1 ZINC001215859124 1134704692 /nfs/dbraw/zinc/70/46/92/1134704692.db2.gz HBDGZDHWSPRPDU-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Cn1ncc2cc(Nc3cc(Cl)cc4[nH]ncc43)ccc21 ZINC001215859588 1134705945 /nfs/dbraw/zinc/70/59/45/1134705945.db2.gz PGQCRUVTFSQGSM-UHFFFAOYSA-N 0 1 297.749 3.847 20 0 CHADMN CSc1cccc(-n2c(N)nc3ccc(C)cc32)c1F ZINC001215866961 1134707108 /nfs/dbraw/zinc/70/71/08/1134707108.db2.gz OKEGOKRRLKBLRI-UHFFFAOYSA-N 0 1 287.363 3.777 20 0 CHADMN Cc1ccc(-c2noc(-c3cccc(F)c3O)n2)cc1F ZINC001215863052 1134707205 /nfs/dbraw/zinc/70/72/05/1134707205.db2.gz NQBZGRGQZIGFAY-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Cn1ccnc1Nc1c(Cl)cccc1C(F)(F)F ZINC001215968621 1134735511 /nfs/dbraw/zinc/73/55/11/1134735511.db2.gz UNKVPAZPSKZYKL-UHFFFAOYSA-N 0 1 275.661 3.836 20 0 CHADMN COc1ccc(Nc2ccc3nccn3c2)c(C)c1C ZINC001215972565 1134736842 /nfs/dbraw/zinc/73/68/42/1134736842.db2.gz RXNNMTKCCPKMBX-UHFFFAOYSA-N 0 1 267.332 3.703 20 0 CHADMN CSc1ncc(Nc2nnc(C(C)C)o2)cc1Cl ZINC001216025930 1134752844 /nfs/dbraw/zinc/75/28/44/1134752844.db2.gz YZSSVUFZGIGUHG-UHFFFAOYSA-N 0 1 284.772 3.707 20 0 CHADMN COc1ccnc(Nc2ccc(N(C)C)c(Cl)c2)c1 ZINC001216059094 1134764003 /nfs/dbraw/zinc/76/40/03/1134764003.db2.gz AJDXRQHMJNIFER-UHFFFAOYSA-N 0 1 277.755 3.553 20 0 CHADMN CN(C)Cc1cccc(Nc2ncccc2Cl)c1F ZINC001216227578 1134812696 /nfs/dbraw/zinc/81/26/96/1134812696.db2.gz DZEOIHSAKGYLTI-UHFFFAOYSA-N 0 1 279.746 3.679 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc(N)cc2Cl)c1F ZINC001216231420 1134814235 /nfs/dbraw/zinc/81/42/35/1134814235.db2.gz IZQXXZCZRCITQP-UHFFFAOYSA-N 0 1 293.773 3.867 20 0 CHADMN CN(C)Cc1cccc(Nc2cccc3nn(C)cc32)c1F ZINC001216231970 1134815634 /nfs/dbraw/zinc/81/56/34/1134815634.db2.gz ROWWKNLYONDLNE-UHFFFAOYSA-N 0 1 298.365 3.518 20 0 CHADMN Cc1cc(N)ccc1Nc1cccc(CN(C)C)c1F ZINC001216231928 1134816325 /nfs/dbraw/zinc/81/63/25/1134816325.db2.gz PUFFPSFCFVLOBW-UHFFFAOYSA-N 0 1 273.355 3.522 20 0 CHADMN Cc1c(F)ccc(N)c1Nc1cccc(CN(C)C)c1F ZINC001216233142 1134817791 /nfs/dbraw/zinc/81/77/91/1134817791.db2.gz WGELMTIUQADZBU-UHFFFAOYSA-N 0 1 291.345 3.661 20 0 CHADMN COc1cc(-n2c(N)nc3c2cccc3C)ccc1C1CC1 ZINC001216248273 1134825270 /nfs/dbraw/zinc/82/52/70/1134825270.db2.gz LFKBJKWJHBAJPK-UHFFFAOYSA-N 0 1 293.370 3.802 20 0 CHADMN CCOc1cc(C)cc(F)c1Nc1noc(C(C)(C)C)n1 ZINC001216365931 1134869412 /nfs/dbraw/zinc/86/94/12/1134869412.db2.gz WLIOHFUGYMQABJ-UHFFFAOYSA-N 0 1 293.342 3.957 20 0 CHADMN CC(C)c1ccc(Nc2nonc2C2CC2)c(Cl)n1 ZINC001216445772 1134899315 /nfs/dbraw/zinc/89/93/15/1134899315.db2.gz POGPANXMSQSTEK-UHFFFAOYSA-N 0 1 278.743 3.862 20 0 CHADMN CCc1nccc(C)c1Nc1cncn1Cc1ccccc1 ZINC001216552594 1134917972 /nfs/dbraw/zinc/91/79/72/1134917972.db2.gz UPYAQNCNZXXNSX-UHFFFAOYSA-N 0 1 292.386 3.941 20 0 CHADMN Clc1cc(Nc2cncn2Cc2ccccc2)ccn1 ZINC001216549915 1134918580 /nfs/dbraw/zinc/91/85/80/1134918580.db2.gz AALZMENPGNTHRV-UHFFFAOYSA-N 0 1 284.750 3.723 20 0 CHADMN Oc1ccc(F)c(Nc2cncn2Cc2ccccc2)c1 ZINC001216553939 1134919720 /nfs/dbraw/zinc/91/97/20/1134919720.db2.gz XXICQUHYZIMJGU-UHFFFAOYSA-N 0 1 283.306 3.520 20 0 CHADMN Cc1cc(F)cc(Nc2cncn2Cc2ccccc2)c1O ZINC001216553166 1134919824 /nfs/dbraw/zinc/91/98/24/1134919824.db2.gz HYSJOAJCVDKLSL-UHFFFAOYSA-N 0 1 297.333 3.828 20 0 CHADMN C[C@@H](O)c1ccccc1Nc1cncn1Cc1ccccc1 ZINC001216554868 1134920403 /nfs/dbraw/zinc/92/04/03/1134920403.db2.gz PIPIOGBHEMLISY-CQSZACIVSA-N 0 1 293.370 3.728 20 0 CHADMN COc1cccc(Nc2cncn2Cc2ccccc2)c1C ZINC001216553408 1134920702 /nfs/dbraw/zinc/92/07/02/1134920702.db2.gz AZAVTMXRUBOILC-UHFFFAOYSA-N 0 1 293.370 3.992 20 0 CHADMN Cc1noc2ccc(Nc3c(C)nc4ccc(F)cn43)cc12 ZINC001216640398 1134937307 /nfs/dbraw/zinc/93/73/07/1134937307.db2.gz PZYQGRSSFWODGU-UHFFFAOYSA-N 0 1 296.305 3.975 20 0 CHADMN Cc1ccccc1-c1noc(-c2ccc(F)c(O)c2F)n1 ZINC001216987406 1134958309 /nfs/dbraw/zinc/95/83/09/1134958309.db2.gz ZFGCJMYMABEXKH-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Cc1ccc(-c2noc(-c3ccc4[nH]cnc4c3)n2)cc1C ZINC001217131664 1134963976 /nfs/dbraw/zinc/96/39/76/1134963976.db2.gz RVGGDOKBDAQYSZ-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN CCc1ccc(-c2noc(-c3ccc4[nH]cnc4c3)n2)cc1 ZINC001217130965 1134964318 /nfs/dbraw/zinc/96/43/18/1134964318.db2.gz FXAQZQLTSOFQQE-UHFFFAOYSA-N 0 1 290.326 3.842 20 0 CHADMN Fc1ccc(-c2noc(-c3cnc4[nH]cccc3-4)n2)cc1F ZINC001217145597 1134965099 /nfs/dbraw/zinc/96/50/99/1134965099.db2.gz KGWKPOROTAJQMI-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN CC(C)c1ccc(-c2nnc([C@H]3CC[C@H](C)CN3)o2)cc1 ZINC001217701637 1134987309 /nfs/dbraw/zinc/98/73/09/1134987309.db2.gz FDQAQOHKQCJNID-SWLSCSKDSA-N 0 1 285.391 3.921 20 0 CHADMN FC(F)(F)c1ccc(-c2nnc([C@@H]3CCCCN3)o2)cc1 ZINC001217693948 1134988466 /nfs/dbraw/zinc/98/84/66/1134988466.db2.gz CFAUWBOLJYBFHQ-NSHDSACASA-N 0 1 297.280 3.570 20 0 CHADMN CN[C@@H](Cc1ccccc1)c1nnc(CC2CCCCC2)o1 ZINC001217703750 1134989759 /nfs/dbraw/zinc/98/97/59/1134989759.db2.gz PZCKFUSZTOFKJB-INIZCTEOSA-N 0 1 299.418 3.696 20 0 CHADMN CC[C@H](C)[C@H](NC)c1nnc([C@@H]2C[C@@H]2c2ccc(C)cc2)o1 ZINC001217723006 1134992179 /nfs/dbraw/zinc/99/21/79/1134992179.db2.gz KPLQBCWNCNLORZ-XZDPQHSOSA-N 0 1 299.418 3.956 20 0 CHADMN Cc1cc(Cl)ccc1-c1nnc([C@](C)(N)C(C)C)o1 ZINC001217732505 1134992235 /nfs/dbraw/zinc/99/22/35/1134992235.db2.gz BKPUYIFQIPQRLF-CQSZACIVSA-N 0 1 279.771 3.528 20 0 CHADMN CCc1ccc(-c2nnc([C@](C)(N)CC(C)C)o2)cc1 ZINC001217734372 1134993496 /nfs/dbraw/zinc/99/34/96/1134993496.db2.gz VWSFHBVQQIRJOB-MRXNPFEDSA-N 0 1 273.380 3.519 20 0 CHADMN CC(C)C[C@@](C)(N)c1nnc([C@H]2C[C@@H]2c2ccccc2)o1 ZINC001217734626 1134993561 /nfs/dbraw/zinc/99/35/61/1134993561.db2.gz YDYJEWVFWFXTNW-JKIFEVAISA-N 0 1 285.391 3.561 20 0 CHADMN CC(C)C[C@@](C)(N)c1nnc(Cc2ccc(Cl)cc2)o1 ZINC001217734757 1134994005 /nfs/dbraw/zinc/99/40/05/1134994005.db2.gz ZPNXUHPZARTPRP-OAHLLOKOSA-N 0 1 293.798 3.534 20 0 CHADMN CCCCC[C@H](NC)c1nnc(-c2ccc(F)cc2)o1 ZINC001217756297 1134994933 /nfs/dbraw/zinc/99/49/33/1134994933.db2.gz KMVQOWDMVIIBAM-ZDUSSCGKSA-N 0 1 277.343 3.717 20 0 CHADMN C[C@H]1C[C@H](OCc2cccc3nc[nH]c32)C[C@@H](C)C1 ZINC001217859574 1135009757 /nfs/dbraw/zinc/00/97/57/1135009757.db2.gz HNDABHXXMDGEDN-IMRBUKKESA-N 0 1 258.365 3.904 20 0 CHADMN C[C@@H]1CC[C@@H](C)[C@H](OCc2cccc3nc[nH]c32)C1 ZINC001217857222 1135009889 /nfs/dbraw/zinc/00/98/89/1135009889.db2.gz JHYNZCSKXMTYTL-LALPHHSUSA-N 0 1 258.365 3.904 20 0 CHADMN Cc1noc([C@H](NCCCCc2ccccc2)C(C)C)n1 ZINC000187451503 1135029851 /nfs/dbraw/zinc/02/98/51/1135029851.db2.gz PQDPYNMYHSMVGR-MRXNPFEDSA-N 0 1 287.407 3.688 20 0 CHADMN CCCCCC[C@@H](CCC)Oc1n[nH]c2c1CNCC2 ZINC001218353617 1135092188 /nfs/dbraw/zinc/09/21/88/1135092188.db2.gz UYQAXANRTGLTMA-CYBMUJFWSA-N 0 1 279.428 3.573 20 0 CHADMN CCCCCC[C@@H](C)N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000315120961 1135151630 /nfs/dbraw/zinc/15/16/30/1135151630.db2.gz IJBMJTQRTMCDGO-NEPJUHHUSA-N 0 1 298.452 3.939 20 0 CHADMN C[C@H]1CCCN(Cc2cccc(O)c2Br)[C@H]1C ZINC000315777032 1135160141 /nfs/dbraw/zinc/16/01/41/1135160141.db2.gz DPMYMNXILCUFDI-QWRGUYRKSA-N 0 1 298.224 3.775 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc(N4CCCC4)cc3)c2c1 ZINC000316447933 1135167375 /nfs/dbraw/zinc/16/73/75/1135167375.db2.gz NTNILOQGIUFZJR-UHFFFAOYSA-N 0 1 292.386 3.516 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1ccc(Cl)c(CO)c1F ZINC001222350825 1135230738 /nfs/dbraw/zinc/23/07/38/1135230738.db2.gz YONYQNLDJMFRKN-UHFFFAOYSA-N 0 1 290.725 3.823 20 0 CHADMN c1ncc(CO[C@H]2CCCC[C@@H]2c2ccccc2)[nH]1 ZINC001223008146 1135294353 /nfs/dbraw/zinc/29/43/53/1135294353.db2.gz VEMSELBHHUCLCD-CVEARBPZSA-N 0 1 256.349 3.653 20 0 CHADMN CC(C)c1ccccc1COC1CN(C(C)(C)C)C1 ZINC001223908150 1135396700 /nfs/dbraw/zinc/39/67/00/1135396700.db2.gz PNXSNKGMBVIZCB-UHFFFAOYSA-N 0 1 261.409 3.809 20 0 CHADMN CCCC[C@H](CC)COC1CCN(CCF)CC1 ZINC001224709021 1135473358 /nfs/dbraw/zinc/47/33/58/1135473358.db2.gz KQOBVWFDYISACA-AWEZNQCLSA-N 0 1 259.409 3.653 20 0 CHADMN Clc1ccccc1CN1CC[C@H](OCCC2CC2)C1 ZINC001224760671 1135479542 /nfs/dbraw/zinc/47/95/42/1135479542.db2.gz BFDKGPCFOSGPLQ-HNNXBMFYSA-N 0 1 279.811 3.731 20 0 CHADMN CC[C@H](CC1CCCCC1)N[C@H](C)c1csnn1 ZINC000720987784 1135505274 /nfs/dbraw/zinc/50/52/74/1135505274.db2.gz UVTBNCDHIGVONL-DGCLKSJQSA-N 0 1 267.442 3.938 20 0 CHADMN CCN1CCC[C@H](Oc2ccc(C)cc2Br)C1 ZINC001225815625 1135626417 /nfs/dbraw/zinc/62/64/17/1135626417.db2.gz HCJQXQWLFXAKLJ-LBPRGKRZSA-N 0 1 298.224 3.621 20 0 CHADMN CC(C)N1CCC[C@@H](Oc2c(F)ccc(Cl)c2F)C1 ZINC001225903691 1135636301 /nfs/dbraw/zinc/63/63/01/1135636301.db2.gz FXWZNXSYKATZMT-SNVBAGLBSA-N 0 1 289.753 3.870 20 0 CHADMN CC(C)[N@H+]1CCC[C@@H](Oc2c(F)ccc(Cl)c2F)C1 ZINC001225903691 1135636298 /nfs/dbraw/zinc/63/62/98/1135636298.db2.gz FXWZNXSYKATZMT-SNVBAGLBSA-N 0 1 289.753 3.870 20 0 CHADMN CCC[C@@H](Oc1cccc2[nH]nnc21)c1ccc(OC)cc1 ZINC001225991650 1135649080 /nfs/dbraw/zinc/64/90/80/1135649080.db2.gz FPWKLGXMZDFYTO-OAHLLOKOSA-N 0 1 297.358 3.887 20 0 CHADMN CCC[C@@H](Oc1cccc2[nH]nnc21)c1ccccc1 ZINC001225991062 1135649396 /nfs/dbraw/zinc/64/93/96/1135649396.db2.gz RVBRYSCLTIBQJC-CQSZACIVSA-N 0 1 267.332 3.878 20 0 CHADMN Cc1cc(=O)[nH]c(O[C@H](C)c2ccc3ccccc3c2)n1 ZINC001226154969 1135669285 /nfs/dbraw/zinc/66/92/85/1135669285.db2.gz BWBPXZMIGRSSQL-GFCCVEGCSA-N 0 1 280.327 3.784 20 0 CHADMN CC(C)C1CCC(Oc2n[nH]c3ncccc23)CC1 ZINC001226301817 1135682641 /nfs/dbraw/zinc/68/26/41/1135682641.db2.gz GBNYXOADQADXMA-UHFFFAOYSA-N 0 1 259.353 3.552 20 0 CHADMN C[C@@H]1CCC[C@H](Oc2cc(N)nc3ccccc32)C1 ZINC001226415959 1135694340 /nfs/dbraw/zinc/69/43/40/1135694340.db2.gz BNJFDXBVKSSUQR-NEPJUHHUSA-N 0 1 256.349 3.775 20 0 CHADMN CC[C@H](Oc1nc(C)[nH]c(=O)c1F)c1cccc(F)c1C ZINC001226423130 1135696091 /nfs/dbraw/zinc/69/60/91/1135696091.db2.gz FDQVZLDATYMUHA-LBPRGKRZSA-N 0 1 294.301 3.607 20 0 CHADMN Cc1ccc2nc(O[C@@H](C)c3cccnc3F)[nH]c2c1 ZINC001226507524 1135705530 /nfs/dbraw/zinc/70/55/30/1135705530.db2.gz AWEJRJDFFUCUIG-JTQLQIEISA-N 0 1 271.295 3.545 20 0 CHADMN CC(=O)[C@@H](Oc1nc2ccc(C)cc2[nH]1)c1ccccc1 ZINC001226508996 1135706190 /nfs/dbraw/zinc/70/61/90/1135706190.db2.gz RRNSFIOBQNYOJR-MRXNPFEDSA-N 0 1 280.327 3.580 20 0 CHADMN Fc1ccc2nc(O[C@@H](c3cccnc3)C3CC3)[nH]c2c1 ZINC001226700961 1135730583 /nfs/dbraw/zinc/73/05/83/1135730583.db2.gz HUYALJVOFODCSO-OAHLLOKOSA-N 0 1 283.306 3.627 20 0 CHADMN CN1CC[C@H](Oc2cc(Cl)c(Cl)cc2Cl)C1 ZINC001226831662 1135747956 /nfs/dbraw/zinc/74/79/56/1135747956.db2.gz LAAFYJJNWBFAOG-ZETCQYMHSA-N 0 1 280.582 3.730 20 0 CHADMN Fc1cc2c(c(F)c1)CC[C@H]2Oc1ccc2nc[nH]c2c1 ZINC001226929235 1135762898 /nfs/dbraw/zinc/76/28/98/1135762898.db2.gz CILIZPJGCOPESA-MRXNPFEDSA-N 0 1 286.281 3.907 20 0 CHADMN Cc1cccc2nc(O[C@H]3CCC(=O)c4ccccc43)[nH]c21 ZINC001227268885 1135813802 /nfs/dbraw/zinc/81/38/02/1135813802.db2.gz WDOVGROLNICPGW-INIZCTEOSA-N 0 1 292.338 3.968 20 0 CHADMN C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc(O)c2Cl)C1 ZINC000513241175 260129665 /nfs/dbraw/zinc/12/96/65/260129665.db2.gz GOEAWTCYIKLWOC-ZYHUDNBSSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc([O-])c2Cl)C1 ZINC000513241175 260129669 /nfs/dbraw/zinc/12/96/69/260129669.db2.gz GOEAWTCYIKLWOC-ZYHUDNBSSA-N 0 1 253.773 3.666 20 0 CHADMN Cc1cccc2c1OCC[C@H]2NCc1ccc(F)cc1 ZINC000082503087 178066861 /nfs/dbraw/zinc/06/68/61/178066861.db2.gz LXJUGFDYNXQWAL-MRXNPFEDSA-N 0 1 271.335 3.748 20 0 CHADMN CC[C@@H]1CN(Cc2c(C)nn(C(C)(C)C)c2C)CCS1 ZINC000353844959 529396340 /nfs/dbraw/zinc/39/63/40/529396340.db2.gz LLZQEOOBYXZGQH-CQSZACIVSA-N 0 1 295.496 3.582 20 0 CHADMN CC[C@@H]1CN(Cc2ccc([C@@H]3C[C@H]3C)o2)CCS1 ZINC000353902779 529397048 /nfs/dbraw/zinc/39/70/48/529397048.db2.gz VCHVUKFBWBHBIY-MRVWCRGKSA-N 0 1 265.422 3.730 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc2c[nH]nc21 ZINC000354543167 529406560 /nfs/dbraw/zinc/40/65/60/529406560.db2.gz WEMHCIXHBMGDMX-DOMZBBRYSA-N 0 1 285.391 3.604 20 0 CHADMN CC[C@H](NCc1ccc2cc[nH]c2n1)c1cccc(F)c1 ZINC000353632435 529630309 /nfs/dbraw/zinc/63/03/09/529630309.db2.gz UAZFRGQKKHLXIE-INIZCTEOSA-N 0 1 283.350 3.943 20 0 CHADMN CCc1ccc(CN2CCC(OC3CCCC3)CC2)cn1 ZINC000347846444 529639550 /nfs/dbraw/zinc/63/95/50/529639550.db2.gz NFPSUUIEMIUYLO-UHFFFAOYSA-N 0 1 288.435 3.568 20 0 CHADMN CCc1cnc(CN(C)CCCCOC(C)(C)C)s1 ZINC000354846902 529644402 /nfs/dbraw/zinc/64/44/02/529644402.db2.gz ZEMFWMPODWPQIL-UHFFFAOYSA-N 0 1 284.469 3.733 20 0 CHADMN CCc1ccc(CNCc2ccccc2OC(C)C)cn1 ZINC000352783342 529653196 /nfs/dbraw/zinc/65/31/96/529653196.db2.gz XVFYDEGTELQKGA-UHFFFAOYSA-N 0 1 284.403 3.721 20 0 CHADMN CCc1ccc(CN[C@H](C)c2cc(F)ccc2OC)cn1 ZINC000352777602 529656468 /nfs/dbraw/zinc/65/64/68/529656468.db2.gz BUWFMUQMUUMOAY-GFCCVEGCSA-N 0 1 288.366 3.643 20 0 CHADMN CCc1ccc(CN(CC)Cc2cccc(F)c2)cn1 ZINC000347665418 529637028 /nfs/dbraw/zinc/63/70/28/529637028.db2.gz DUAUDHNWMGWAKH-UHFFFAOYSA-N 0 1 272.367 3.805 20 0 CHADMN CC[C@H](N[C@H](C)c1ccc(=O)[nH]n1)c1ccc(Cl)s1 ZINC000353529905 529667111 /nfs/dbraw/zinc/66/71/11/529667111.db2.gz KTNYIZCPFUBXKS-BDAKNGLRSA-N 0 1 297.811 3.699 20 0 CHADMN CCc1sc(C(=O)Nc2ccc3nc[nH]c3c2)cc1C ZINC000352630984 529770576 /nfs/dbraw/zinc/77/05/76/529770576.db2.gz SLPKLKIWQHRHBB-UHFFFAOYSA-N 0 1 285.372 3.748 20 0 CHADMN CN(C[C@@H]1CC=CCC1)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000344493629 529944918 /nfs/dbraw/zinc/94/49/18/529944918.db2.gz HZTKMNDVCJGDCN-CQSZACIVSA-N 0 1 295.386 3.505 20 0 CHADMN CN(Cc1ccoc1)c1ccnc2cc(F)ccc21 ZINC000354662116 530012967 /nfs/dbraw/zinc/01/29/67/530012967.db2.gz AQBMUUJJSAIZLN-UHFFFAOYSA-N 0 1 256.280 3.603 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@@H](O)C(C)(C)C ZINC000310747889 260226962 /nfs/dbraw/zinc/22/69/62/260226962.db2.gz HALXIRFFKYQFDX-SMDDNHRTSA-N 0 1 269.816 3.740 20 0 CHADMN CC1(C)COC[C@H]1NCc1c(Cl)cccc1Cl ZINC000313060434 260242636 /nfs/dbraw/zinc/24/26/36/260242636.db2.gz GQYQUJCFWMFIRY-GFCCVEGCSA-N 0 1 274.191 3.508 20 0 CHADMN FCC(CF)N[C@@H]1CCC[C@H]1CCc1ccccc1 ZINC000449378889 260468982 /nfs/dbraw/zinc/46/89/82/260468982.db2.gz GKHYZFJNLUJCJB-GOEBONIOSA-N 0 1 267.363 3.685 20 0 CHADMN C[N@@H+](CCCc1ccccc1)Cc1ccc(C(=O)[O-])s1 ZINC000574213119 335001468 /nfs/dbraw/zinc/00/14/68/335001468.db2.gz IUFMRAIDJCMQGG-UHFFFAOYSA-N 0 1 289.400 3.511 20 0 CHADMN CC(C)c1nc(CN[C@@H](C)c2ccc(Cl)c(F)c2)n[nH]1 ZINC000574272573 335005547 /nfs/dbraw/zinc/00/55/47/335005547.db2.gz PZAKGEDHTGEGDG-VIFPVBQESA-N 0 1 296.777 3.571 20 0 CHADMN COc1ccc(F)cc1CNCc1ccc(SC)s1 ZINC000574321871 335010286 /nfs/dbraw/zinc/01/02/86/335010286.db2.gz LUUSVFLLZZLBQO-UHFFFAOYSA-N 0 1 297.420 3.908 20 0 CHADMN CCC[C@@H](O)CN(Cc1ccccn1)Cc1ccccc1C ZINC000574522859 335026619 /nfs/dbraw/zinc/02/66/19/335026619.db2.gz FTWSHAFSUIBFKZ-LJQANCHMSA-N 0 1 298.430 3.553 20 0 CHADMN Cc1cncc([C@H](C)NCc2ccccc2Cl)c1 ZINC000184249344 262013005 /nfs/dbraw/zinc/01/30/05/262013005.db2.gz HBWZRZDCTJUOSJ-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN CSc1ccc(CNCc2ccc(Cl)cn2)s1 ZINC000352836873 532958313 /nfs/dbraw/zinc/95/83/13/532958313.db2.gz KWBUQJFXYLKOGL-UHFFFAOYSA-N 0 1 284.837 3.808 20 0 CHADMN Oc1cc(F)cc(CN(CCC(F)(F)F)CC2CC2)c1 ZINC000186266227 262086436 /nfs/dbraw/zinc/08/64/36/262086436.db2.gz RNXZIFOOODIRFZ-UHFFFAOYSA-N 0 1 291.288 3.696 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](CCO)c2ccco2)s1 ZINC000186548624 262098188 /nfs/dbraw/zinc/09/81/88/262098188.db2.gz KVYUNYANMOQTRP-YPMHNXCESA-N 0 1 279.405 3.678 20 0 CHADMN CC1(C)CN(Cc2nc(C3CCCC3)no2)[C@@H]2CCC[C@@H]21 ZINC000574825189 335050939 /nfs/dbraw/zinc/05/09/39/335050939.db2.gz BUJNPUGZSGNDCB-UONOGXRCSA-N 0 1 289.423 3.738 20 0 CHADMN CCCn1cc(CN[C@H](C)c2ccc(C)c(F)c2)cn1 ZINC000088766002 260001516 /nfs/dbraw/zinc/00/15/16/260001516.db2.gz FRRUKCFVXNVSOH-CYBMUJFWSA-N 0 1 275.371 3.591 20 0 CHADMN CCCc1ccc([C@@H]([NH2+]Cc2c[nH]cn2)C(C)C)cc1 ZINC000171127656 335056015 /nfs/dbraw/zinc/05/60/15/335056015.db2.gz WHCZVNPNGRGAQJ-KRWDZBQOSA-N 0 1 271.408 3.849 20 0 CHADMN Cc1ccc(Cl)cc1-c1nc(C2(N)CCCCC2)no1 ZINC000213888128 260018820 /nfs/dbraw/zinc/01/88/20/260018820.db2.gz IELGAPKSVLHACA-UHFFFAOYSA-N 0 1 291.782 3.817 20 0 CHADMN CC(C)CCc1noc(CN(C)[C@H]2CCC[C@@H](C)C2)n1 ZINC000519968903 260035371 /nfs/dbraw/zinc/03/53/71/260035371.db2.gz UUPHGYLLKFRNCW-KGLIPLIRSA-N 0 1 279.428 3.669 20 0 CHADMN Cc1ccc(CN(C)Cc2cnn(C(C)(C)C)c2)cc1 ZINC000179602573 260057929 /nfs/dbraw/zinc/05/79/29/260057929.db2.gz WSTPJCDNKPOLJS-UHFFFAOYSA-N 0 1 271.408 3.579 20 0 CHADMN COc1c(O)cccc1CN1CCc2ccccc2[C@H]1C ZINC000352613835 533444638 /nfs/dbraw/zinc/44/46/38/533444638.db2.gz ZFNZINBZSAVWSF-CYBMUJFWSA-N 0 1 283.371 3.520 20 0 CHADMN COc1c(O)cccc1CNCc1csc2ccccc12 ZINC000352684750 533445101 /nfs/dbraw/zinc/44/51/01/533445101.db2.gz QBMUZOBXZSASCK-UHFFFAOYSA-N 0 1 299.395 3.905 20 0 CHADMN C[C@@H](CC(C)(C)C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000355945997 533465015 /nfs/dbraw/zinc/46/50/15/533465015.db2.gz TZIRPAQXANLNDV-JTQLQIEISA-N 0 1 259.353 3.574 20 0 CHADMN C[C@@H](N[C@@H](c1nccn1C)C1CC1)c1ccc2c(c1)CCC2 ZINC000353868583 533514858 /nfs/dbraw/zinc/51/48/58/533514858.db2.gz PVNQUSFFHBFNKG-FZKQIMNGSA-N 0 1 295.430 3.711 20 0 CHADMN C[C@@H](N[C@H]1COC(C)(C)C1)c1nc(C(C)(C)C)cs1 ZINC000417919895 533547797 /nfs/dbraw/zinc/54/77/97/533547797.db2.gz YNQGYUWIMLKLHK-GHMZBOCLSA-N 0 1 282.453 3.659 20 0 CHADMN Cc1nccc(N[C@H]2CSc3ccccc32)c1Cl ZINC000353154602 533639711 /nfs/dbraw/zinc/63/97/11/533639711.db2.gz SWAGBVFSYBEWPV-LBPRGKRZSA-N 0 1 276.792 3.724 20 0 CHADMN C[C@H]1CCN(Cc2nc3ccccc3[nH]2)CC12CCC2 ZINC000354915556 533647107 /nfs/dbraw/zinc/64/71/07/533647107.db2.gz FQMAONXQJVQVRJ-ZDUSSCGKSA-N 0 1 269.392 3.575 20 0 CHADMN Cc1occc1CN[C@@H]1CCCc2cc(F)ccc21 ZINC000341763756 130028958 /nfs/dbraw/zinc/02/89/58/130028958.db2.gz YRXFZWUWJSMBBZ-MRXNPFEDSA-N 0 1 259.324 3.894 20 0 CHADMN COc1ccc(Cl)cc1[C@@H](CC(C)C)NCCF ZINC000341854887 130095932 /nfs/dbraw/zinc/09/59/32/130095932.db2.gz IDTWKBFCKJYBMY-CYBMUJFWSA-N 0 1 273.779 3.995 20 0 CHADMN C[C@H]1CO[C@@H](c2ccccc2)CN1CCCCCF ZINC000341886365 130111878 /nfs/dbraw/zinc/11/18/78/130111878.db2.gz WLWCSHWMOHHAJG-GOEBONIOSA-N 0 1 265.372 3.588 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]2[C@H]2CCCO2)cc1Cl ZINC000342011918 130197821 /nfs/dbraw/zinc/19/78/21/130197821.db2.gz DYHFYMJIKNLKKL-HUUCEWRRSA-N 0 1 283.774 3.623 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000342025130 130206487 /nfs/dbraw/zinc/20/64/87/130206487.db2.gz UDCLRDBZVMKCBX-CABCVRRESA-N 0 1 283.774 3.623 20 0 CHADMN CCCCc1nc(CN2[C@@H](C)CC[C@@H]2C)cs1 ZINC000342033961 130249987 /nfs/dbraw/zinc/24/99/87/130249987.db2.gz DFRQCXWIPUJAGA-RYUDHWBXSA-N 0 1 252.427 3.859 20 0 CHADMN Fc1ccc2nc(-c3cc(-n4ccnc4)cs3)[nH]c2c1 ZINC000342135869 130294188 /nfs/dbraw/zinc/29/41/88/130294188.db2.gz QKWAHFOUOLTYSB-UHFFFAOYSA-N 0 1 284.319 3.616 20 0 CHADMN FC(F)[C@@H]1C[C@@H]1NCc1nc(-c2ccccc2)cs1 ZINC000342201738 130380578 /nfs/dbraw/zinc/38/05/78/130380578.db2.gz GETIASDCIVWXMH-MNOVXSKESA-N 0 1 280.343 3.553 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C[C@@H]3CC[C@@H](C)C3)ccc12 ZINC000354998968 533672232 /nfs/dbraw/zinc/67/22/32/533672232.db2.gz ZCSGFTOAADPGAM-ZYHUDNBSSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1[nH]nc2ncc(CN3CCCC[C@@H]3c3ccco3)cc12 ZINC000353565578 533674684 /nfs/dbraw/zinc/67/46/84/533674684.db2.gz GNNKQNDZCWJIIF-OAHLLOKOSA-N 0 1 296.374 3.587 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1[C@H](C)CCC[C@@H]1C ZINC000009997614 170394093 /nfs/dbraw/zinc/39/40/93/170394093.db2.gz DKXAQGYGANHKIW-TXEJJXNPSA-N 0 1 294.826 3.850 20 0 CHADMN COc1ccc(OC)c([C@H](C)N[C@H](C)c2cccnc2)c1 ZINC000020127668 171012977 /nfs/dbraw/zinc/01/29/77/171012977.db2.gz MADARMDEGYQTFK-OLZOCXBDSA-N 0 1 286.375 3.511 20 0 CHADMN CN(Cc1ccccc1)Cc1ccc(N)cc1Cl ZINC000020192782 171058809 /nfs/dbraw/zinc/05/88/09/171058809.db2.gz MJEQFKJLTKCDNC-UHFFFAOYSA-N 0 1 260.768 3.554 20 0 CHADMN C[C@H](NCc1c(Cl)cccc1Cl)[C@H]1CCCO1 ZINC000020207838 171072735 /nfs/dbraw/zinc/07/27/35/171072735.db2.gz XVFMWVVVTATNHO-TVQRCGJNSA-N 0 1 274.191 3.651 20 0 CHADMN FC(F)(F)c1cccc(-c2noc([C@H]3CCCCN3)n2)c1 ZINC000020545894 171243607 /nfs/dbraw/zinc/24/36/07/171243607.db2.gz QLEQLOXELOQIGZ-LLVKDONJSA-N 0 1 297.280 3.570 20 0 CHADMN Clc1cccc(CN[C@H]2CCOc3ccccc32)c1 ZINC000034992376 171919069 /nfs/dbraw/zinc/91/90/69/171919069.db2.gz YXGBYRZKHQQXQK-HNNXBMFYSA-N 0 1 273.763 3.953 20 0 CHADMN C[C@H](NCc1ccc(Br)s1)c1ccco1 ZINC000035137055 172003759 /nfs/dbraw/zinc/00/37/59/172003759.db2.gz TZUBHXZFWFTTDN-QMMMGPOBSA-N 0 1 286.194 3.954 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000035219421 172060480 /nfs/dbraw/zinc/06/04/80/172060480.db2.gz VJAZJVWZECJGSD-RISCZKNCSA-N 0 1 293.794 3.840 20 0 CHADMN C[C@@H](NCc1cccc(F)c1F)c1cccs1 ZINC000035223088 172066989 /nfs/dbraw/zinc/06/69/89/172066989.db2.gz LPMNAXYQJPJZLI-SECBINFHSA-N 0 1 253.317 3.877 20 0 CHADMN C[C@@H](NCc1ccc(Cl)s1)c1ccc2c(c1)OCO2 ZINC000035256618 172087108 /nfs/dbraw/zinc/08/71/08/172087108.db2.gz OZPKYAJNCQKAMB-SECBINFHSA-N 0 1 295.791 3.981 20 0 CHADMN Fc1ccccc1CN[C@H]1CSCc2ccccc21 ZINC000037212047 173033742 /nfs/dbraw/zinc/03/37/42/173033742.db2.gz ZXXHAQVDJPGSEQ-INIZCTEOSA-N 0 1 273.376 3.903 20 0 CHADMN Fc1ccc(F)c(CNCc2ccc(Cl)cc2)c1 ZINC000037233348 173052764 /nfs/dbraw/zinc/05/27/64/173052764.db2.gz SURSEGBUNLFJEV-UHFFFAOYSA-N 0 1 267.706 3.908 20 0 CHADMN Clc1cc(Cl)cc(CNCc2ccccn2)c1 ZINC000037423482 173199128 /nfs/dbraw/zinc/19/91/28/173199128.db2.gz QNJCLVKWDUJTER-UHFFFAOYSA-N 0 1 267.159 3.678 20 0 CHADMN C[C@H](NCc1cn[nH]c1)c1ccc(Cl)c(Cl)c1 ZINC000038005924 173968132 /nfs/dbraw/zinc/96/81/32/173968132.db2.gz VLYZTAHJXKWLSW-QMMMGPOBSA-N 0 1 270.163 3.567 20 0 CHADMN Cc1csc(CN[C@H]2CCCc3ccccc32)n1 ZINC000038090816 174104572 /nfs/dbraw/zinc/10/45/72/174104572.db2.gz FWRUBDXQROKBFT-AWEZNQCLSA-N 0 1 258.390 3.619 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2cc(Br)cs2)C1 ZINC000043686969 175094427 /nfs/dbraw/zinc/09/44/27/175094427.db2.gz MTMCEYCOVOIXSG-NXEZZACHSA-N 0 1 288.254 3.989 20 0 CHADMN C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000044390617 175170551 /nfs/dbraw/zinc/17/05/51/175170551.db2.gz FMSKKHBLKSBUDH-NSHDSACASA-N 0 1 275.373 3.639 20 0 CHADMN c1c[nH]c([C@@H]2CCCN2Cc2cnn(-c3ccccc3)c2)c1 ZINC000077171018 177230292 /nfs/dbraw/zinc/23/02/92/177230292.db2.gz CFLIQJXYULJTSX-SFHVURJKSA-N 0 1 292.386 3.538 20 0 CHADMN c1cc2c(o1)CCCN(Cc1cnc3ccccc3c1)C2 ZINC000344242079 225003546 /nfs/dbraw/zinc/00/35/46/225003546.db2.gz DQIHPQRDUKDWMO-UHFFFAOYSA-N 0 1 278.355 3.776 20 0 CHADMN Cc1ccc2nc(NC(=O)C3CCC(F)(F)CC3)[nH]c2c1 ZINC000344478372 225070773 /nfs/dbraw/zinc/07/07/73/225070773.db2.gz QMJPWGVNJBXETI-UHFFFAOYSA-N 0 1 293.317 3.635 20 0 CHADMN c1csc(-c2nc(CN[C@@H]3CCCSC3)cs2)c1 ZINC000344721546 225157189 /nfs/dbraw/zinc/15/71/89/225157189.db2.gz JEHFVGCCCHIRJR-SNVBAGLBSA-N 0 1 296.486 3.857 20 0 CHADMN Cc1cc(C)c(CN[C@H]2CCCOc3ccccc32)cn1 ZINC000334668436 225241025 /nfs/dbraw/zinc/24/10/25/225241025.db2.gz GXHUZSDBUCBJRD-KRWDZBQOSA-N 0 1 282.387 3.702 20 0 CHADMN Cc1cc(F)c(CN2CC[C@](C)(C(N)=O)C2)c(Cl)c1 ZINC000334646726 225251109 /nfs/dbraw/zinc/25/11/09/225251109.db2.gz KGQQMUIXIHGOHB-AWEZNQCLSA-N 0 1 284.762 3.535 20 0 CHADMN O=C(c1cccc2[nH]cnc21)N1CCCC12CCCCC2 ZINC000334903053 225359098 /nfs/dbraw/zinc/35/90/98/225359098.db2.gz OVXZVQGSAVRKIP-UHFFFAOYSA-N 0 1 283.375 3.502 20 0 CHADMN CCn1cncc1CN(Cc1ccoc1)C1CCCCC1 ZINC000417799048 226241667 /nfs/dbraw/zinc/24/16/67/226241667.db2.gz WKBZPGUIMUATTF-UHFFFAOYSA-N 0 1 287.407 3.831 20 0 CHADMN Cc1cc(C[N@@H+](C)Cc2ccncc2)cc2cccnc12 ZINC000350360027 227000507 /nfs/dbraw/zinc/00/05/07/227000507.db2.gz TZSCEWLNFPBLEY-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Cc1cc(CN(C)Cc2ccncc2)cc2cccnc12 ZINC000350360027 227000509 /nfs/dbraw/zinc/00/05/09/227000509.db2.gz TZSCEWLNFPBLEY-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Cc1ncccc1CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000367174516 227017304 /nfs/dbraw/zinc/01/73/04/227017304.db2.gz ROWRPERONVUZSC-CQSZACIVSA-N 0 1 298.352 3.945 20 0 CHADMN CCc1nocc1CN(CC)[C@@H](C)c1ccc(F)cc1 ZINC000350471605 227019453 /nfs/dbraw/zinc/01/94/53/227019453.db2.gz ACDXVJONGUVIOD-LBPRGKRZSA-N 0 1 276.355 3.959 20 0 CHADMN Cc1ncc(C[N@H+]2CC[C@H](CC3CC3)C2)n1-c1ccccc1 ZINC000354530808 227025268 /nfs/dbraw/zinc/02/52/68/227025268.db2.gz WGQHYMMYEZDWJL-QGZVFWFLSA-N 0 1 295.430 3.803 20 0 CHADMN CCc1nnc([C@H](C)N2CCC[C@](C)(c3ccccc3)C2)o1 ZINC000354588376 227042661 /nfs/dbraw/zinc/04/26/61/227042661.db2.gz WXRXPDLNWVJECM-KSSFIOAISA-N 0 1 299.418 3.747 20 0 CHADMN CCn1cncc1CN[C@H](C)c1ccccc1C(F)(F)F ZINC000417897626 227104422 /nfs/dbraw/zinc/10/44/22/227104422.db2.gz RKFFYKVIEBLYJB-LLVKDONJSA-N 0 1 297.324 3.773 20 0 CHADMN C[C@H](NCC1(C(F)(F)F)CC1)c1ccc(Cl)cn1 ZINC000353988408 227081847 /nfs/dbraw/zinc/08/18/47/227081847.db2.gz VMOPOSSYCDOOGV-QMMMGPOBSA-N 0 1 278.705 3.728 20 0 CHADMN c1oc2ccccc2c1CN1CCOC[C@@H]1CC1CCC1 ZINC000354718028 227083121 /nfs/dbraw/zinc/08/31/21/227083121.db2.gz BABJYUZCSCORMV-INIZCTEOSA-N 0 1 285.387 3.824 20 0 CHADMN CCn1cncc1CN[C@@H](C)c1ccccc1C(F)(F)F ZINC000417897627 227103977 /nfs/dbraw/zinc/10/39/77/227103977.db2.gz RKFFYKVIEBLYJB-NSHDSACASA-N 0 1 297.324 3.773 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3cccc4c3CCC4)ccc12 ZINC000354989807 227290392 /nfs/dbraw/zinc/29/03/92/227290392.db2.gz IOFFWDCGEFKDML-UHFFFAOYSA-N 0 1 291.354 3.612 20 0 CHADMN Oc1cc(CNCc2ccccc2)cc(C(F)(F)F)c1 ZINC000352856166 227340924 /nfs/dbraw/zinc/34/09/24/227340924.db2.gz VWYQXUDUQXCFCX-UHFFFAOYSA-N 0 1 281.277 3.701 20 0 CHADMN Cc1nn(C)c(C)c1CNc1nc(C)cc2ccccc21 ZINC000302084696 227784868 /nfs/dbraw/zinc/78/48/68/227784868.db2.gz YZZVUFNOOVEXJK-UHFFFAOYSA-N 0 1 280.375 3.506 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)CCc1ccccc1C ZINC000353542141 228116861 /nfs/dbraw/zinc/11/68/61/228116861.db2.gz AHRLKOGPBQNMFW-UHFFFAOYSA-N 0 1 293.317 3.535 20 0 CHADMN CCc1nnc(CN[C@@H]2CC[C@H](c3ccccc3)C2)s1 ZINC000353100605 228059107 /nfs/dbraw/zinc/05/91/07/228059107.db2.gz ZIQKBBUYRWUNGN-UONOGXRCSA-N 0 1 287.432 3.526 20 0 CHADMN Cc1cc([C@H](C)NC[C@H]2SCCc3ccccc32)no1 ZINC000353259826 228075638 /nfs/dbraw/zinc/07/56/38/228075638.db2.gz FBEFQAYLUOXHRD-BLLLJJGKSA-N 0 1 288.416 3.664 20 0 CHADMN Cc1ccnc([C@@H](C)NCc2nccc3ccccc32)c1 ZINC000353393813 228094747 /nfs/dbraw/zinc/09/47/47/228094747.db2.gz KEGAEXHJKJVNEO-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN Fc1cc(CN2CCC23CCC3)ccc1OC(F)F ZINC000353668302 228142400 /nfs/dbraw/zinc/14/24/00/228142400.db2.gz YAOLHMXUHKYFLE-UHFFFAOYSA-N 0 1 271.282 3.556 20 0 CHADMN CCn1nc(C)c(CN2Cc3ccccc3C(C)(C)C2)c1C ZINC000353680485 228144234 /nfs/dbraw/zinc/14/42/34/228144234.db2.gz KAUFNEZROUHPBK-UHFFFAOYSA-N 0 1 297.446 3.813 20 0 CHADMN Cc1cccc(CN(C)Cc2ccccc2N2CCCC2)n1 ZINC000353751760 228150955 /nfs/dbraw/zinc/15/09/55/228150955.db2.gz JYJFSCUTAOBAFK-UHFFFAOYSA-N 0 1 295.430 3.622 20 0 CHADMN Cc1cccc(CN(C)Cc2cccc(C)c2C)n1 ZINC000353752274 228151128 /nfs/dbraw/zinc/15/11/28/228151128.db2.gz RUNFPMSGTLPQIN-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN Cc1cccc(CN(C)Cc2cccc3cccnc32)n1 ZINC000353770345 228151857 /nfs/dbraw/zinc/15/18/57/228151857.db2.gz UAJVJJUCWFOWTD-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Fc1cccc(N2CCCC2)c1CN1CCCC2(CC2)C1 ZINC000351927080 228166310 /nfs/dbraw/zinc/16/63/10/228166310.db2.gz AYRXRGMVAOLJMK-UHFFFAOYSA-N 0 1 288.410 3.802 20 0 CHADMN Fc1cccc(F)c1C1=CCN(C[C@H]2CCCCO2)CC1 ZINC000352021926 228174424 /nfs/dbraw/zinc/17/44/24/228174424.db2.gz NASOMRCPCMOVJM-CQSZACIVSA-N 0 1 293.357 3.623 20 0 CHADMN COCCN(CC[C@@H](C)F)Cc1ccc(F)cc1Cl ZINC000352030246 228176456 /nfs/dbraw/zinc/17/64/56/228176456.db2.gz UMLAFUZCFOIENF-LLVKDONJSA-N 0 1 291.769 3.676 20 0 CHADMN Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc3ccccc3n2)on1 ZINC000352097278 228182480 /nfs/dbraw/zinc/18/24/80/228182480.db2.gz QKJAUESLAUXHKF-KRWDZBQOSA-N 0 1 293.370 3.868 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2ccc3ccccc3n2)on1 ZINC000352097278 228182481 /nfs/dbraw/zinc/18/24/81/228182481.db2.gz QKJAUESLAUXHKF-KRWDZBQOSA-N 0 1 293.370 3.868 20 0 CHADMN C[C@@H](c1cnccn1)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000336131985 228193561 /nfs/dbraw/zinc/19/35/61/228193561.db2.gz UBSHHNOJCWYYAF-GXTWGEPZSA-N 0 1 287.794 3.681 20 0 CHADMN C[C@H]1CCCC[C@@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000333542326 228203632 /nfs/dbraw/zinc/20/36/32/228203632.db2.gz IBCKMORWPHHWTK-FZMZJTMJSA-N 0 1 282.347 3.678 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2csc(C)c2)on1 ZINC000336215597 228215363 /nfs/dbraw/zinc/21/53/63/228215363.db2.gz IZVPJYVEWWRZLL-CYBMUJFWSA-N 0 1 262.378 3.690 20 0 CHADMN CCc1ccc(CNCc2cc(OC)ccc2OC)s1 ZINC000067693042 260011859 /nfs/dbraw/zinc/01/18/59/260011859.db2.gz YKPCNVMKQWBUDW-UHFFFAOYSA-N 0 1 291.416 3.618 20 0 CHADMN CC(C)NCc1csc(COc2ccc(Cl)cc2)n1 ZINC000036104778 260035493 /nfs/dbraw/zinc/03/54/93/260035493.db2.gz CIOGIQHBXOTMHA-UHFFFAOYSA-N 0 1 296.823 3.874 20 0 CHADMN Cc1ccc2ncc(CN(C)[C@H](C)c3ccccc3)n2c1 ZINC000179702351 260065306 /nfs/dbraw/zinc/06/53/06/260065306.db2.gz UQZLFNGIWDVXHM-OAHLLOKOSA-N 0 1 279.387 3.836 20 0 CHADMN Cc1ncccc1CN(C)[C@H](C)c1ccc(F)cc1 ZINC000179802732 260073427 /nfs/dbraw/zinc/07/34/27/260073427.db2.gz TYEJSFFRVGEPPU-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1ccc(C)cc1)CCO2 ZINC000037214598 260074407 /nfs/dbraw/zinc/07/44/07/260074407.db2.gz DSZIEKCPEQIIIM-QGZVFWFLSA-N 0 1 283.371 3.617 20 0 CHADMN COCCN[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000179972464 260084420 /nfs/dbraw/zinc/08/44/20/260084420.db2.gz NRZOHSHFPRHRNQ-INIZCTEOSA-N 0 1 293.769 3.805 20 0 CHADMN C[C@@H](c1ccco1)N(C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000180051541 260090930 /nfs/dbraw/zinc/09/09/30/260090930.db2.gz NSJAIXWKYIXWEZ-ZDUSSCGKSA-N 0 1 281.359 3.863 20 0 CHADMN Cc1ncc(CN[C@H]2CCSc3ccc(F)cc32)s1 ZINC000037505485 260113637 /nfs/dbraw/zinc/11/36/37/260113637.db2.gz MOEKVDBKHXBWHV-ZDUSSCGKSA-N 0 1 294.420 3.917 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccccc1)c1cnc2ccsc2c1 ZINC000068692032 260146113 /nfs/dbraw/zinc/14/61/13/260146113.db2.gz RQZDKWQENXUBRH-MLGOLLRUSA-N 0 1 298.411 3.681 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN(CC)CC1CC1 ZINC000069238686 260149739 /nfs/dbraw/zinc/14/97/39/260149739.db2.gz WLEZJFYILLQMPR-UHFFFAOYSA-N 0 1 275.392 3.520 20 0 CHADMN CCSCC[C@H](C)Nc1ccnc(C)c1Cl ZINC000309354145 260155445 /nfs/dbraw/zinc/15/54/45/260155445.db2.gz NAWZIKRQLVTUSU-VIFPVBQESA-N 0 1 258.818 3.987 20 0 CHADMN Fc1ccc2nc(-c3cnn(-c4ccccc4)c3)[nH]c2c1 ZINC000070285505 260155693 /nfs/dbraw/zinc/15/56/93/260155693.db2.gz SOIXRPSYBQMUBD-UHFFFAOYSA-N 0 1 278.290 3.555 20 0 CHADMN CC(C)Oc1ccc(CN2CCCC2)cc1Cl ZINC000187722300 260163366 /nfs/dbraw/zinc/16/33/66/260163366.db2.gz SKPDKAPEOOPSFG-UHFFFAOYSA-N 0 1 253.773 3.723 20 0 CHADMN C[C@H](NCc1ccc(CO)o1)c1ccc(C(F)(F)F)cc1 ZINC000077897874 260167462 /nfs/dbraw/zinc/16/74/62/260167462.db2.gz JGURSANTJCOFSH-JTQLQIEISA-N 0 1 299.292 3.642 20 0 CHADMN COCC(C)(C)NCc1cc(Cl)sc1Cl ZINC000312595129 260168812 /nfs/dbraw/zinc/16/88/12/260168812.db2.gz DVSABHZLVRRTKT-UHFFFAOYSA-N 0 1 268.209 3.570 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000086809472 260210092 /nfs/dbraw/zinc/21/00/92/260210092.db2.gz RAVNAYDZFCATJX-CYBMUJFWSA-N 0 1 287.359 3.510 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cn(C)nc1C)c1ccccc1OC ZINC000087407904 260213738 /nfs/dbraw/zinc/21/37/38/260213738.db2.gz DHPBIJSMIOFTEY-BLLLJJGKSA-N 0 1 287.407 3.539 20 0 CHADMN C[C@@H]1CCCC[N@H+]1CCCNc1nc(C(C)(C)C)ns1 ZINC000087640436 260216025 /nfs/dbraw/zinc/21/60/25/260216025.db2.gz QRCOQMACKUVDLX-GFCCVEGCSA-N 0 1 296.484 3.512 20 0 CHADMN CCCCN(CCO)Cc1cc(Cl)ccc1Cl ZINC000087765508 260225991 /nfs/dbraw/zinc/22/59/91/260225991.db2.gz IHMNYGSARQPCFH-UHFFFAOYSA-N 0 1 276.207 3.588 20 0 CHADMN COc1ccc(Br)c(CN(C)[C@@H](C)C2CC2)c1 ZINC000087797975 260227743 /nfs/dbraw/zinc/22/77/43/260227743.db2.gz NUVDXDOMVLZIQM-JTQLQIEISA-N 0 1 298.224 3.688 20 0 CHADMN CC(C)C[C@@H](C)C[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000517759405 260240549 /nfs/dbraw/zinc/24/05/49/260240549.db2.gz VNGXPBDWFXFEOM-PVAVHDDUSA-N 0 1 289.419 3.959 20 0 CHADMN CCc1ccccc1CN[C@@H](C)c1ccc(F)cn1 ZINC000092196453 260268758 /nfs/dbraw/zinc/26/87/58/260268758.db2.gz YQJZRYMQUMXTNK-LBPRGKRZSA-N 0 1 258.340 3.634 20 0 CHADMN Cc1noc(C)c1CN[C@H]1CCCCc2ccccc21 ZINC000092328641 260269585 /nfs/dbraw/zinc/26/95/85/260269585.db2.gz QYZNWPVGPMLONZ-KRWDZBQOSA-N 0 1 270.376 3.849 20 0 CHADMN Fc1cc2c(c(F)c1F)[C@@H](N[C@H]1C=CCCC1)CC2 ZINC000449187034 260284931 /nfs/dbraw/zinc/28/49/31/260284931.db2.gz DDJAHOVLMWRPAP-JQWIXIFHSA-N 0 1 267.294 3.790 20 0 CHADMN CC(C)(C)c1cnc(CN[C@H]2CC23CCCC3)s1 ZINC000517847229 260311430 /nfs/dbraw/zinc/31/14/30/260311430.db2.gz XRWCDVGRKBBNAC-NSHDSACASA-N 0 1 264.438 3.863 20 0 CHADMN Cc1cnc(CN[C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)s1 ZINC000518117823 260343131 /nfs/dbraw/zinc/34/31/31/260343131.db2.gz HFGRGVRFDHMEED-VXGBXAGGSA-N 0 1 282.453 3.523 20 0 CHADMN C[C@H](NCCc1c(F)cccc1Cl)c1nccs1 ZINC000090408004 260347704 /nfs/dbraw/zinc/34/77/04/260347704.db2.gz RBLWLNBQBPUQCC-VIFPVBQESA-N 0 1 284.787 3.829 20 0 CHADMN CC(C)COc1ccccc1CNC1CC(F)(F)C1 ZINC000449282856 260352529 /nfs/dbraw/zinc/35/25/29/260352529.db2.gz JLPGOKRQVMGRIQ-UHFFFAOYSA-N 0 1 269.335 3.609 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@H](C)c1cncs1 ZINC000128618919 260376794 /nfs/dbraw/zinc/37/67/94/260376794.db2.gz OFEMEOYYNUDFJS-NWDGAFQWSA-N 0 1 276.405 3.872 20 0 CHADMN COc1ccccc1CNCc1ccc(C)c(Cl)c1 ZINC000234885593 260389077 /nfs/dbraw/zinc/38/90/77/260389077.db2.gz OVVOKDWUEZEGJP-UHFFFAOYSA-N 0 1 275.779 3.947 20 0 CHADMN Cc1cnc([C@@H](NCc2ccc3[nH]cnc3c2)C2CC2)s1 ZINC000525709625 261055309 /nfs/dbraw/zinc/05/53/09/261055309.db2.gz UZBOISXMBIJBNQ-HNNXBMFYSA-N 0 1 298.415 3.569 20 0 CHADMN Cc1cnc([C@@H](NCc2ccc3nc[nH]c3c2)C2CC2)s1 ZINC000525709625 261055311 /nfs/dbraw/zinc/05/53/11/261055311.db2.gz UZBOISXMBIJBNQ-HNNXBMFYSA-N 0 1 298.415 3.569 20 0 CHADMN CC(C)C[C@@H](NCc1ccc2c(c1)OCO2)c1ccccn1 ZINC000152058453 261059188 /nfs/dbraw/zinc/05/91/88/261059188.db2.gz UIBWYAVFDHMBEZ-MRXNPFEDSA-N 0 1 298.386 3.687 20 0 CHADMN Fc1cccc(CNC2(c3cccc(F)c3)CC2)c1 ZINC000152859101 261070658 /nfs/dbraw/zinc/07/06/58/261070658.db2.gz MIJCMIBRJARADW-UHFFFAOYSA-N 0 1 259.299 3.744 20 0 CHADMN c1csc(-c2cc(CN3C[C@@H]4CCC[C@H]4C3)no2)c1 ZINC000153335108 261077246 /nfs/dbraw/zinc/07/72/46/261077246.db2.gz KLRCWHUKYFQCAS-RYUDHWBXSA-N 0 1 274.389 3.635 20 0 CHADMN Cc1cc(N(C)Cc2ccco2)c2cc(F)ccc2n1 ZINC000360662949 261088730 /nfs/dbraw/zinc/08/87/30/261088730.db2.gz IELDOTHFHBDTNF-UHFFFAOYSA-N 0 1 270.307 3.912 20 0 CHADMN CCC(C)(C)N(C)Cc1nnc(-c2ccccc2)s1 ZINC000155559211 261103597 /nfs/dbraw/zinc/10/35/97/261103597.db2.gz XJIFDEUYENJPNS-UHFFFAOYSA-N 0 1 275.421 3.826 20 0 CHADMN CSc1ccc(S(=O)(=O)Nc2cscc2C)cc1 ZINC000161640475 261103824 /nfs/dbraw/zinc/10/38/24/261103824.db2.gz LSAFWRWQUZCEPQ-UHFFFAOYSA-N 0 1 299.442 3.579 20 0 CHADMN Cc1nc(CN[C@H](C)[C@@H](C)c2ccccc2)oc1C ZINC000157135284 261140515 /nfs/dbraw/zinc/14/05/15/261140515.db2.gz ZCRZNEMDJCYCCD-VXGBXAGGSA-N 0 1 258.365 3.573 20 0 CHADMN Cc1nc(CN[C@@H](C)[C@@H](C)c2ccccc2)oc1C ZINC000157135122 261140782 /nfs/dbraw/zinc/14/07/82/261140782.db2.gz ZCRZNEMDJCYCCD-NEPJUHHUSA-N 0 1 258.365 3.573 20 0 CHADMN Cc1cccc(NC[C@@H]2CCCO[C@H]2c2ccccc2)n1 ZINC000157236849 261143015 /nfs/dbraw/zinc/14/30/15/261143015.db2.gz JXYTYFIAWXLEPN-WMZOPIPTSA-N 0 1 282.387 3.970 20 0 CHADMN COCc1ccc(CN(C)[C@@H](C)c2cccs2)o1 ZINC000157799847 261152259 /nfs/dbraw/zinc/15/22/59/261152259.db2.gz RJCNDSMZGGUESD-NSHDSACASA-N 0 1 265.378 3.681 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N(C)CCc1nccs1 ZINC000157817659 261153102 /nfs/dbraw/zinc/15/31/02/261153102.db2.gz YXBDUCVLCUWCNV-SNVBAGLBSA-N 0 1 282.359 3.657 20 0 CHADMN Cc1ncsc1CN(C)[C@H](C)c1cccs1 ZINC000157858036 261153854 /nfs/dbraw/zinc/15/38/54/261153854.db2.gz PEBADSRCPFEADJ-SNVBAGLBSA-N 0 1 252.408 3.706 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1cccc(Cl)n1 ZINC000173476382 261163411 /nfs/dbraw/zinc/16/34/11/261163411.db2.gz XIHJYDLZHMQKOP-LBPRGKRZSA-N 0 1 260.768 3.928 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)cc1N(C)C)c1cccnc1 ZINC000158547065 261167024 /nfs/dbraw/zinc/16/70/24/261167024.db2.gz ZZYTWBLTMSGXRP-STQMWFEESA-N 0 1 287.382 3.699 20 0 CHADMN CCN(Cc1sc(C)nc1C)Cc1ccc(OC)cc1 ZINC000159351286 261184531 /nfs/dbraw/zinc/18/45/31/261184531.db2.gz JCXFVLRAMPPAJW-UHFFFAOYSA-N 0 1 290.432 3.791 20 0 CHADMN FC(F)(F)c1cncc(CN2CCC[C@H]3CCC[C@H]32)c1 ZINC000361320203 261203106 /nfs/dbraw/zinc/20/31/06/261203106.db2.gz YYAGNYHEZHBDQH-TZMCWYRMSA-N 0 1 284.325 3.865 20 0 CHADMN O=C(c1cc(Cl)c2ccccc2c1O)N1CCCCC1 ZINC000175179121 261210802 /nfs/dbraw/zinc/21/08/02/261210802.db2.gz NBEKVURAGIKREF-UHFFFAOYSA-N 0 1 289.762 3.825 20 0 CHADMN COc1cccc([C@H](C)N2Cc3ccccc3C2)c1 ZINC000175654944 261238866 /nfs/dbraw/zinc/23/88/66/261238866.db2.gz RNHNQBMJZSWFNN-ZDUSSCGKSA-N 0 1 253.345 3.772 20 0 CHADMN CCN(Cc1nc2cc(F)ccc2o1)Cc1ccccc1 ZINC000464865971 261242879 /nfs/dbraw/zinc/24/28/79/261242879.db2.gz AEQOBSKJMWPGJC-UHFFFAOYSA-N 0 1 284.334 3.989 20 0 CHADMN CCN(Cc1ccn(C(C)C)n1)[C@@H](C)Cc1ccsc1 ZINC000187800647 261251295 /nfs/dbraw/zinc/25/12/95/261251295.db2.gz AGYXYKOWBNASNT-AWEZNQCLSA-N 0 1 291.464 3.979 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccc(C)o2)ccc1C ZINC000161814016 261260605 /nfs/dbraw/zinc/26/06/05/261260605.db2.gz UEZVIMMQBWHIJM-ZDUSSCGKSA-N 0 1 259.349 3.756 20 0 CHADMN Cc1ccc(O)c(CN[C@H](C)c2cc3ccccc3o2)n1 ZINC000103341086 261327725 /nfs/dbraw/zinc/32/77/25/261327725.db2.gz CVWLNOXHTKEZOY-GFCCVEGCSA-N 0 1 282.343 3.693 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN(C)[C@H](C)C1(C)CC1 ZINC000177213692 261339743 /nfs/dbraw/zinc/33/97/43/261339743.db2.gz FDWRQPFVHOXQLE-GFCCVEGCSA-N 0 1 294.826 3.707 20 0 CHADMN CC[C@@H](C)CN1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000491133990 261344384 /nfs/dbraw/zinc/34/43/84/261344384.db2.gz UXYPZXAFKILZNL-MLGOLLRUSA-N 0 1 265.372 3.554 20 0 CHADMN COC[C@@H](N[C@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000177334211 261348044 /nfs/dbraw/zinc/34/80/44/261348044.db2.gz FRYNHAWBDOEMIX-RDTXWAMCSA-N 0 1 285.387 3.734 20 0 CHADMN CC[C@H](NCc1cn2ccsc2n1)c1cccs1 ZINC000177759606 261368383 /nfs/dbraw/zinc/36/83/83/261368383.db2.gz ITDFLMWJKFGCCJ-NSHDSACASA-N 0 1 277.418 3.698 20 0 CHADMN CCC(C)(C)[C@@H]1CCCN1Cc1nc(C(C)C)no1 ZINC000178908328 261410244 /nfs/dbraw/zinc/41/02/44/261410244.db2.gz VVOGMYVLFYDZEV-LBPRGKRZSA-N 0 1 265.401 3.594 20 0 CHADMN CC[C@@](C)(NCc1cccs1)c1nc(C)cs1 ZINC000174503520 261574908 /nfs/dbraw/zinc/57/49/08/261574908.db2.gz XVBWBAQURZGHEX-CYBMUJFWSA-N 0 1 266.435 3.928 20 0 CHADMN CC(C)C(=O)Nc1ccc(CN[C@@H](C)c2ccco2)cc1 ZINC000178480670 261745231 /nfs/dbraw/zinc/74/52/31/261745231.db2.gz DMJQOUPBBGAYGT-ZDUSSCGKSA-N 0 1 286.375 3.725 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cc(C)cc(C)c2)n1 ZINC000178753640 261759031 /nfs/dbraw/zinc/75/90/31/261759031.db2.gz IPXXWOZTJIUMAB-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN C[C@H](CN(C)Cc1cc(F)ccc1F)c1nccs1 ZINC000183981038 262003975 /nfs/dbraw/zinc/00/39/75/262003975.db2.gz GSAKHSTYPQHQOL-SNVBAGLBSA-N 0 1 282.359 3.657 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2cncc(C)c2)c1 ZINC000184266099 262013764 /nfs/dbraw/zinc/01/37/64/262013764.db2.gz LSOUWXIEVPKSHN-ZIAGYGMSSA-N 0 1 297.402 3.760 20 0 CHADMN Cc1cncc([C@@H](C)NC2(c3cccc(F)c3)CC2)c1 ZINC000184445697 262020540 /nfs/dbraw/zinc/02/05/40/262020540.db2.gz RRSRSEHBCGEGRA-CYBMUJFWSA-N 0 1 270.351 3.869 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3C[C@@H]3C(C)C)c2C)o1 ZINC000185797079 262071542 /nfs/dbraw/zinc/07/15/42/262071542.db2.gz OLMWTEFQHIKXFW-VXGBXAGGSA-N 0 1 287.363 3.517 20 0 CHADMN CC[C@@H](NCCOC(C)C)c1nc(C(F)(F)F)cs1 ZINC000185932838 262072826 /nfs/dbraw/zinc/07/28/26/262072826.db2.gz ZRKOJKGSLXAHCZ-SECBINFHSA-N 0 1 296.358 3.628 20 0 CHADMN Cc1cnc(CN[C@@H](C)C2(c3ccccc3)CCCC2)o1 ZINC000185959433 262073293 /nfs/dbraw/zinc/07/32/93/262073293.db2.gz VFYHWWNCMCFOIQ-HNNXBMFYSA-N 0 1 284.403 3.973 20 0 CHADMN C[C@H](c1ccccc1)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000186048051 262077182 /nfs/dbraw/zinc/07/71/82/262077182.db2.gz VFVVKMCDAKEUDP-LLVKDONJSA-N 0 1 285.309 3.591 20 0 CHADMN CC(C)c1nc([C@@H](C)NCCc2ccccn2)cs1 ZINC000186198909 262083726 /nfs/dbraw/zinc/08/37/26/262083726.db2.gz OMBLQFDOWSFYBY-GFCCVEGCSA-N 0 1 275.421 3.555 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)N1CCCC2(CC2)C1 ZINC000186965727 262119194 /nfs/dbraw/zinc/11/91/94/262119194.db2.gz HNBBYJJPTGLBNB-LBPRGKRZSA-N 0 1 256.349 3.765 20 0 CHADMN CC[C@@H]1C[C@@]1(NCc1ccnn1CC)c1cccc(C)c1 ZINC000500501440 262155363 /nfs/dbraw/zinc/15/53/63/262155363.db2.gz UQXHUGAVSYHKGF-QAPCUYQASA-N 0 1 283.419 3.626 20 0 CHADMN Cc1nc(C)c(CN[C@H]2CSc3ccccc32)s1 ZINC000310900953 262181153 /nfs/dbraw/zinc/18/11/53/262181153.db2.gz BCJPHFFXKBRZMM-LBPRGKRZSA-N 0 1 276.430 3.697 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CCCc3occc32)c1 ZINC000120782454 262229990 /nfs/dbraw/zinc/22/99/90/262229990.db2.gz PHUBJANBPYINRO-SJKOYZFVSA-N 0 1 298.386 3.966 20 0 CHADMN C[C@@H]1CN(Cc2cccc(Cl)c2)C[C@@H](C)S1 ZINC000525787065 262237820 /nfs/dbraw/zinc/23/78/20/262237820.db2.gz IAFRBQPNCMWLNG-GHMZBOCLSA-N 0 1 255.814 3.666 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccc(F)cc1 ZINC000221766399 262295665 /nfs/dbraw/zinc/29/56/65/262295665.db2.gz HUFJLBQRQHVQMS-MNOVXSKESA-N 0 1 262.303 3.772 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(F)cc(F)c2)cc1F ZINC000221877423 262315269 /nfs/dbraw/zinc/31/52/69/262315269.db2.gz CXZMFPVKVNLURP-JTQLQIEISA-N 0 1 295.304 3.963 20 0 CHADMN C[C@H](NCc1cc(F)cc(F)c1)c1ccc2c(c1)OCO2 ZINC000221876170 262315614 /nfs/dbraw/zinc/31/56/14/262315614.db2.gz WKJWXRYOKSRALY-JTQLQIEISA-N 0 1 291.297 3.544 20 0 CHADMN COC[C@H](N[C@@H]1CS[C@H](C(C)(C)C)C1)c1ccc(C)o1 ZINC000488440497 262321898 /nfs/dbraw/zinc/32/18/98/262321898.db2.gz JKQVACWSTJBUPJ-YDHLFZDLSA-N 0 1 297.464 3.785 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(F)cc2F)ccn1 ZINC000391148661 262383812 /nfs/dbraw/zinc/38/38/12/262383812.db2.gz NAJPXWXILMEDDM-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN CC[C@H](NCc1ccnc(C)c1)c1ccccc1OC ZINC000391200245 262388793 /nfs/dbraw/zinc/38/87/93/262388793.db2.gz QFMZBARRICCDKP-INIZCTEOSA-N 0 1 270.376 3.640 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@H](C)c1ccsc1)CCO2 ZINC000061361640 262396196 /nfs/dbraw/zinc/39/61/96/262396196.db2.gz TVFTZLRDWBRCLV-IAQYHMDHSA-N 0 1 289.400 3.931 20 0 CHADMN Cc1oncc1CN1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000525835252 262453682 /nfs/dbraw/zinc/45/36/82/262453682.db2.gz DMVFHEGITNGMSJ-ZBEGNZNMSA-N 0 1 274.339 3.705 20 0 CHADMN Cc1cnc([C@H](C)NCCCOc2ccccc2)s1 ZINC000124399241 262542285 /nfs/dbraw/zinc/54/22/85/262542285.db2.gz YMGLCXJZGDLUIA-ZDUSSCGKSA-N 0 1 276.405 3.571 20 0 CHADMN COCc1ccc(CN[C@@H](c2ccccc2)C(C)C)o1 ZINC000125236050 262593962 /nfs/dbraw/zinc/59/39/62/262593962.db2.gz CBYKQJGEVDYGCQ-QGZVFWFLSA-N 0 1 273.376 3.913 20 0 CHADMN CC[C@H](NCc1csc(C(=O)OC)c1)c1cccs1 ZINC000411511523 262696773 /nfs/dbraw/zinc/69/67/73/262696773.db2.gz JHAXGOFBOBWKLI-NSHDSACASA-N 0 1 295.429 3.837 20 0 CHADMN CCc1nc(S[C@@H](C)c2ccc3c(c2)CCC3)n[nH]1 ZINC000412991151 262750707 /nfs/dbraw/zinc/75/07/07/262750707.db2.gz QKJLJUHNDFETCK-JTQLQIEISA-N 0 1 273.405 3.709 20 0 CHADMN CCc1n[nH]c(S[C@@H](C)c2ccc3c(c2)CCC3)n1 ZINC000412991151 262750708 /nfs/dbraw/zinc/75/07/08/262750708.db2.gz QKJLJUHNDFETCK-JTQLQIEISA-N 0 1 273.405 3.709 20 0 CHADMN Cc1csc(CN(C)[C@H](C)Cc2ccccc2C)n1 ZINC000445265630 262769469 /nfs/dbraw/zinc/76/94/69/262769469.db2.gz VNXAMBSKQUFRCU-CQSZACIVSA-N 0 1 274.433 3.823 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccccn2)c(C)c1 ZINC000414061139 262798650 /nfs/dbraw/zinc/79/86/50/262798650.db2.gz YPWQUAQSCYZVAT-KBPBESRZSA-N 0 1 270.376 3.810 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c3ccccc3[nH]c21)c1ccn(C)n1 ZINC000414191401 262816168 /nfs/dbraw/zinc/81/61/68/262816168.db2.gz SLIGQZWNWGTRJH-PXAZEXFGSA-N 0 1 294.402 3.630 20 0 CHADMN CCC[C@H](N[C@@H]1CCCC[C@H]1F)c1ccccn1 ZINC000414289435 262836919 /nfs/dbraw/zinc/83/69/19/262836919.db2.gz RQALRXRIRKUIEA-NFAWXSAZSA-N 0 1 250.361 3.793 20 0 CHADMN CCn1ccnc1NCc1ccc(C(F)(F)F)s1 ZINC000414298728 262838724 /nfs/dbraw/zinc/83/87/24/262838724.db2.gz JXTYPCUMYUKSOD-UHFFFAOYSA-N 0 1 275.299 3.595 20 0 CHADMN Brc1cccc(CN2CCC[C@H]2C2CCC2)n1 ZINC000272439809 263004344 /nfs/dbraw/zinc/00/43/44/263004344.db2.gz SQECRUQNJOMFKF-ZDUSSCGKSA-N 0 1 295.224 3.609 20 0 CHADMN COCC[C@@H](N[C@H](C)c1sc(C)nc1C)c1ccco1 ZINC000272553882 263006603 /nfs/dbraw/zinc/00/66/03/263006603.db2.gz MORLNKBYDQCDGF-DGCLKSJQSA-N 0 1 294.420 3.781 20 0 CHADMN NC1(c2noc(-c3cccc(-c4ccoc4)c3)n2)CCCC1 ZINC000414610351 263009257 /nfs/dbraw/zinc/00/92/57/263009257.db2.gz AVZABAWLJBFTAP-UHFFFAOYSA-N 0 1 295.342 3.725 20 0 CHADMN CC1(C)CCCC[C@H]1Cc1nc(C2(N)CCCC2)no1 ZINC000414610952 263009475 /nfs/dbraw/zinc/00/94/75/263009475.db2.gz BUSHXOYDKSHWSC-LBPRGKRZSA-N 0 1 277.412 3.557 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H](c2ccccc2)C2CC2)n1 ZINC000414616462 263010452 /nfs/dbraw/zinc/01/04/52/263010452.db2.gz KDSDIROHVFIENA-GJZGRUSLSA-N 0 1 285.391 3.657 20 0 CHADMN Cc1ccc2cc(-c3nc([C@H](N)CC(C)C)no3)[nH]c2c1 ZINC000414619420 263012937 /nfs/dbraw/zinc/01/29/37/263012937.db2.gz OBXQCKCMNDQSLQ-GFCCVEGCSA-N 0 1 284.363 3.572 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cccc3c2CCCC3)n1 ZINC000414620177 263013429 /nfs/dbraw/zinc/01/34/29/263013429.db2.gz KXAZGIPJEGSCRH-HNNXBMFYSA-N 0 1 285.391 3.661 20 0 CHADMN CCn1cc(-c2nc([C@H](N)CC(C)C)no2)c2ccccc21 ZINC000414621671 263013997 /nfs/dbraw/zinc/01/39/97/263013997.db2.gz RSLYCZLNJZWWAR-CQSZACIVSA-N 0 1 298.390 3.757 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cccc(Cl)c2F)n1 ZINC000414620821 263014117 /nfs/dbraw/zinc/01/41/17/263014117.db2.gz LLJZCPRQAPJRNP-JTQLQIEISA-N 0 1 283.734 3.575 20 0 CHADMN Cc1oc2ccccc2c1Cc1nc([C@H](N)CC(C)C)no1 ZINC000414624540 263015736 /nfs/dbraw/zinc/01/57/36/263015736.db2.gz VSHDORHHFGQKFG-CQSZACIVSA-N 0 1 299.374 3.761 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cc3ccccc3cc2O)n1 ZINC000414626468 263016361 /nfs/dbraw/zinc/01/63/61/263016361.db2.gz XWAKGIIDCXZTBD-AWEZNQCLSA-N 0 1 297.358 3.641 20 0 CHADMN Cc1cc(/C=C/c2nc([C@@H](N)CC(C)C)no2)ccc1F ZINC000414628850 263016901 /nfs/dbraw/zinc/01/69/01/263016901.db2.gz SPXFQONTEGJNFA-DYLGSBMWSA-N 0 1 289.354 3.733 20 0 CHADMN CC(C)c1ccc2occ(-c3nc(C4(N)CCC4)no3)c2c1 ZINC000414628902 263017041 /nfs/dbraw/zinc/01/70/41/263017041.db2.gz PRXDNDFATWXXOH-UHFFFAOYSA-N 0 1 297.358 3.944 20 0 CHADMN Cc1ccc(-c2ccc(C[N@@H+](C)CCCC(=O)[O-])o2)cc1 ZINC000414634769 263018433 /nfs/dbraw/zinc/01/84/33/263018433.db2.gz DITBEJZVYLYDRS-UHFFFAOYSA-N 0 1 287.359 3.552 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cc(F)ccc2Cl)n1 ZINC000414633128 263018437 /nfs/dbraw/zinc/01/84/37/263018437.db2.gz YOLJLSODUVPNJN-LLVKDONJSA-N 0 1 283.734 3.575 20 0 CHADMN CC(C)C[C@@H](C[N@@H+](C)CCCC(=O)[O-])c1ccccc1 ZINC000414641969 263019535 /nfs/dbraw/zinc/01/95/35/263019535.db2.gz VHBGOARTNWPSHC-INIZCTEOSA-N 0 1 277.408 3.613 20 0 CHADMN CC(C)c1cnc(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])s1 ZINC000414662794 263023862 /nfs/dbraw/zinc/02/38/62/263023862.db2.gz RUKDWQHIDPKTMY-NSHDSACASA-N 0 1 298.452 3.636 20 0 CHADMN CN(C)Cc1ccsc1C(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000277010615 263039242 /nfs/dbraw/zinc/03/92/42/263039242.db2.gz AXFLMGFWLCAEJE-CYBMUJFWSA-N 0 1 294.464 3.508 20 0 CHADMN COc1cc(C)ccc1CN[C@H]1CCCc2c(O)cccc21 ZINC000283846681 263084568 /nfs/dbraw/zinc/08/45/68/263084568.db2.gz BBUQLXLCXLOTJS-KRWDZBQOSA-N 0 1 297.398 3.876 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1cccc2cc[nH]c21 ZINC000285359308 263092566 /nfs/dbraw/zinc/09/25/66/263092566.db2.gz BFZLAYKEULTGDR-UHFFFAOYSA-N 0 1 283.375 3.798 20 0 CHADMN CCN(C[C@H](C)OC)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000291117929 263120348 /nfs/dbraw/zinc/12/03/48/263120348.db2.gz AOYMROYZJYXUFN-KBPBESRZSA-N 0 1 288.391 3.759 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2ccc(F)cc2F)CCCO1 ZINC000439485330 263126237 /nfs/dbraw/zinc/12/62/37/263126237.db2.gz HXGVHNQJGRFGQX-WCQYABFASA-N 0 1 269.335 3.527 20 0 CHADMN Cc1cc([C@H](C)NC[C@@]2(C)C[C@H]2c2ccccc2)no1 ZINC000340439321 263148592 /nfs/dbraw/zinc/14/85/92/263148592.db2.gz KLMHYRDODJELIQ-JLJPHGGASA-N 0 1 270.376 3.827 20 0 CHADMN Cc1cc(N)cc(CNCc2cnc(C(C)(C)C)s2)c1 ZINC000414971639 263173156 /nfs/dbraw/zinc/17/31/56/263173156.db2.gz WTXRKVFQTROOOO-UHFFFAOYSA-N 0 1 289.448 3.621 20 0 CHADMN C[C@@H](NC[C@@H]1CCCCC1(F)F)c1c(F)cncc1F ZINC000295360863 263176524 /nfs/dbraw/zinc/17/65/24/263176524.db2.gz RLROKNZOHFSYKM-ZJUUUORDSA-N 0 1 290.304 3.836 20 0 CHADMN Fc1ccc2c(c1)OCCC[C@@H]2N[C@H]1CCC[C@H]1F ZINC000340529449 263186123 /nfs/dbraw/zinc/18/61/23/263186123.db2.gz JOQFSLPQWZQCHT-RDBSUJKOSA-N 0 1 267.319 3.520 20 0 CHADMN Cc1cccc([C@@H](C)N[C@@H](C)c2ccncn2)c1C ZINC000453117055 263190954 /nfs/dbraw/zinc/19/09/54/263190954.db2.gz IVDJKDLHQYRHNA-KGLIPLIRSA-N 0 1 255.365 3.505 20 0 CHADMN COC1(CN[C@@H](C)c2csc(C(C)C)n2)CCCC1 ZINC000453234912 263205972 /nfs/dbraw/zinc/20/59/72/263205972.db2.gz XLUGIHQFAMCXGO-LBPRGKRZSA-N 0 1 282.453 3.876 20 0 CHADMN CCC[C@H](NCc1ccnc(N)c1)c1ccc(F)cc1F ZINC000298897368 263227965 /nfs/dbraw/zinc/22/79/65/263227965.db2.gz MDSMALFNUWITKM-HNNXBMFYSA-N 0 1 291.345 3.573 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2nccnc2C)c(C)s1 ZINC000187727671 263266820 /nfs/dbraw/zinc/26/68/20/263266820.db2.gz RTDFBQITRQLUJA-CMPLNLGQSA-N 0 1 275.421 3.875 20 0 CHADMN CCN(Cc1cccc(Cl)c1)Cc1ccc(OC)cn1 ZINC000342474935 263438793 /nfs/dbraw/zinc/43/87/93/263438793.db2.gz XSJVXYGTTKLLIF-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cnc[nH]1 ZINC000334187003 263502138 /nfs/dbraw/zinc/50/21/38/263502138.db2.gz GPIXPCQSSAQYSH-QMMMGPOBSA-N 0 1 298.173 3.550 20 0 CHADMN CCC(CC)c1cc(CN[C@H]2CC[C@H]2SC)on1 ZINC000425337637 264006528 /nfs/dbraw/zinc/00/65/28/264006528.db2.gz AGTHJJASIPZZRC-GXTWGEPZSA-N 0 1 268.426 3.562 20 0 CHADMN CC(C)n1cncc1CN1CCC(c2ccsc2)CC1 ZINC000425335695 264011887 /nfs/dbraw/zinc/01/18/87/264011887.db2.gz ILMOQUFXFSHLPP-UHFFFAOYSA-N 0 1 289.448 3.905 20 0 CHADMN Cc1cccc(CN(C)Cc2cc3ccccc3o2)n1 ZINC000353749247 264018539 /nfs/dbraw/zinc/01/85/39/264018539.db2.gz VGBNBEDZFIAVMP-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN Cc1cnc([C@@H](C)N[C@@H](CC(N)=O)C2CCCCC2)o1 ZINC000330866194 264058078 /nfs/dbraw/zinc/05/80/78/264058078.db2.gz RTHXWSSGYDVYJF-YPMHNXCESA-N 0 1 279.384 3.508 20 0 CHADMN Cc1ccc(C2CCN(Cc3cncn3C(C)C)CC2)cn1 ZINC000425363230 264136058 /nfs/dbraw/zinc/13/60/58/264136058.db2.gz WHGUXLLEIJTPPH-UHFFFAOYSA-N 0 1 298.434 3.547 20 0 CHADMN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ncc(C(C)(C)C)s1 ZINC000331301876 264200312 /nfs/dbraw/zinc/20/03/12/264200312.db2.gz CJEAYLZMTQOIMU-QWRGUYRKSA-N 0 1 295.452 3.576 20 0 CHADMN CCn1ccnc1CN1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000425374240 264202746 /nfs/dbraw/zinc/20/27/46/264202746.db2.gz RTNMROAFLOLIQE-MRXNPFEDSA-N 0 1 283.419 3.876 20 0 CHADMN O[C@@H]1CCN(Cc2cccs2)[C@@H]1c1ccc(Cl)cc1 ZINC000425368514 264213420 /nfs/dbraw/zinc/21/34/20/264213420.db2.gz XDGWBYFNZGRLHX-HUUCEWRRSA-N 0 1 293.819 3.709 20 0 CHADMN CS[C@@H]1CC[C@H]1Nc1ccc(Cl)c(CN(C)C)c1 ZINC000425383033 264219073 /nfs/dbraw/zinc/21/90/73/264219073.db2.gz PCBMAKSWONQZMD-ZIAGYGMSSA-N 0 1 284.856 3.708 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccncc1OC)c1cccs1 ZINC000188764140 264240900 /nfs/dbraw/zinc/24/09/00/264240900.db2.gz LVDXQHFFHIMJQU-WCQYABFASA-N 0 1 276.405 3.954 20 0 CHADMN Cc1cc(NC[C@H]2CCC[C@@H](O)C2)c2cc(F)ccc2n1 ZINC000127157134 264241006 /nfs/dbraw/zinc/24/10/06/264241006.db2.gz UXOHMFPPOYMXQK-GXTWGEPZSA-N 0 1 288.366 3.645 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H](C)c1ccc(C)cc1 ZINC000188785918 264242216 /nfs/dbraw/zinc/24/22/16/264242216.db2.gz LAXFJQWLAMCDFA-KBPBESRZSA-N 0 1 270.376 3.810 20 0 CHADMN CSCc1cccc(CN[C@H](C)c2cncc(F)c2)c1 ZINC000188723996 264243097 /nfs/dbraw/zinc/24/30/97/264243097.db2.gz IFYKOKZFIGUWRL-GFCCVEGCSA-N 0 1 290.407 3.935 20 0 CHADMN C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@H]2CC[C@H](C)O2)C1 ZINC000475057109 264267620 /nfs/dbraw/zinc/26/76/20/264267620.db2.gz YUKVKEBRYXAFOV-DLTLXFJOSA-N 0 1 277.383 3.776 20 0 CHADMN CCC(CC)c1cc(CNC2CC(OC(C)C)C2)on1 ZINC000189541621 264306791 /nfs/dbraw/zinc/30/67/91/264306791.db2.gz ZLWGFKBUZOVPSJ-UHFFFAOYSA-N 0 1 280.412 3.624 20 0 CHADMN Cc1ccccc1Cc1nnc(CN[C@@H]2CCCC[C@H]2C)o1 ZINC000162445070 264322575 /nfs/dbraw/zinc/32/25/75/264322575.db2.gz SWCSADZEZUZZEG-GDBMZVCRSA-N 0 1 299.418 3.637 20 0 CHADMN CCc1ccc(CN2C[C@H](C)C[C@@H]2c2cccnc2)o1 ZINC000190000562 264344795 /nfs/dbraw/zinc/34/47/95/264344795.db2.gz MZCAKXWGBWNGKE-CXAGYDPISA-N 0 1 270.376 3.820 20 0 CHADMN Cc1nnc([C@H](C)NCC/C=C/c2ccccc2)s1 ZINC000391986704 265037307 /nfs/dbraw/zinc/03/73/07/265037307.db2.gz WKVXLAZWTUXVJS-JXPAYYINSA-N 0 1 273.405 3.601 20 0 CHADMN CCO[C@@H]1C[C@H](NCc2nc(C)sc2C)C12CCCC2 ZINC000344295388 265056243 /nfs/dbraw/zinc/05/62/43/265056243.db2.gz KAXNSORWQJTDLE-LSDHHAIUSA-N 0 1 294.464 3.587 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CCCc2occc2C1 ZINC000344295046 265056262 /nfs/dbraw/zinc/05/62/62/265056262.db2.gz PINKPADZEKCCHZ-GFCCVEGCSA-N 0 1 259.324 3.928 20 0 CHADMN C[C@@]1(CNCc2c(Cl)cccc2Cl)CCCO1 ZINC000094797026 265255048 /nfs/dbraw/zinc/25/50/48/265255048.db2.gz OWXURFQWTZPSAA-ZDUSSCGKSA-N 0 1 274.191 3.652 20 0 CHADMN Cc1oc(C[N@H+]2CC[C@@H](c3ccccc3C)C2)cc1C(=O)[O-] ZINC000518990647 265283267 /nfs/dbraw/zinc/28/32/67/265283267.db2.gz LYBDVHABVWPJIG-CQSZACIVSA-N 0 1 299.370 3.584 20 0 CHADMN Cc1oc(C[N@H+]2CC[C@H](c3ccccc3C)C2)cc1C(=O)[O-] ZINC000518990642 265283816 /nfs/dbraw/zinc/28/38/16/265283816.db2.gz LYBDVHABVWPJIG-AWEZNQCLSA-N 0 1 299.370 3.584 20 0 CHADMN CCCC[C@H](C)N(C)Cc1cn(-c2ccccc2C)nn1 ZINC000514638840 266023205 /nfs/dbraw/zinc/02/32/05/266023205.db2.gz JBCDHHZLZLETNT-HNNXBMFYSA-N 0 1 286.423 3.586 20 0 CHADMN CC1(C)CN(Cc2ccc3occc3c2)[C@H]1[C@H]1CCCO1 ZINC000356254096 266082060 /nfs/dbraw/zinc/08/20/60/266082060.db2.gz GZRCUFIAWZUAJE-SJORKVTESA-N 0 1 285.387 3.822 20 0 CHADMN Fc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)cc1F ZINC000356286926 266088210 /nfs/dbraw/zinc/08/82/10/266088210.db2.gz SCVVWJUJEJXBNE-OAHLLOKOSA-N 0 1 263.331 3.729 20 0 CHADMN Cc1ccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1F ZINC000356517099 266128769 /nfs/dbraw/zinc/12/87/69/266128769.db2.gz BYUKGCGDAJFCBY-IAGOWNOFSA-N 0 1 289.394 3.668 20 0 CHADMN Cc1noc([C@H](C)NCCC23CC4CC(CC(C4)C2)C3)n1 ZINC000356519668 266129766 /nfs/dbraw/zinc/12/97/66/266129766.db2.gz QQDQDQBYFMXGNQ-AOYIQCRGSA-N 0 1 289.423 3.635 20 0 CHADMN CCC(CC)c1noc(-c2cc(-c3ccc(C)o3)n[nH]2)n1 ZINC000356533605 266131855 /nfs/dbraw/zinc/13/18/55/266131855.db2.gz UUJWOAQHRSLFFA-UHFFFAOYSA-N 0 1 286.335 3.932 20 0 CHADMN CCN(CCc1ccccc1)[C@@H](C)c1ncc(C)o1 ZINC000356959499 266218060 /nfs/dbraw/zinc/21/80/60/266218060.db2.gz YCVMVEQRKBSFFA-AWEZNQCLSA-N 0 1 258.365 3.609 20 0 CHADMN CC1(C)C(c2nc(-c3ccc4[nH]cnc4c3)no2)C1(C)C ZINC000356994119 266227197 /nfs/dbraw/zinc/22/71/97/266227197.db2.gz OWGRMIKLLLTQGN-UHFFFAOYSA-N 0 1 282.347 3.763 20 0 CHADMN Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000356999180 266228896 /nfs/dbraw/zinc/22/88/96/266228896.db2.gz OZSVZWJGKKADTL-SXSDINLZSA-N 0 1 294.398 3.773 20 0 CHADMN Cc1cccc2nc(CN3CC[C@@H](C)C4(CCC4)C3)cn21 ZINC000357025084 266235363 /nfs/dbraw/zinc/23/53/63/266235363.db2.gz OWATYKJAHTWOGY-CQSZACIVSA-N 0 1 283.419 3.655 20 0 CHADMN CC(C)c1nc(CN(C)[C@@H](C)C2CCC2)cs1 ZINC000357027822 266235729 /nfs/dbraw/zinc/23/57/29/266235729.db2.gz TXWNZCWBYSBTKS-NSHDSACASA-N 0 1 252.427 3.887 20 0 CHADMN C[C@@]1(NCc2csc(-c3cccs3)n2)CCCOC1 ZINC000357344447 266280435 /nfs/dbraw/zinc/28/04/35/266280435.db2.gz HEJVNDXXKSHOPP-CQSZACIVSA-N 0 1 294.445 3.530 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114494940 266309205 /nfs/dbraw/zinc/30/92/05/266309205.db2.gz LVJSGBNFRLMRNZ-DYVFJYSZSA-N 0 1 287.407 3.830 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H](C)CC(C)(C)C ZINC000357587851 266331563 /nfs/dbraw/zinc/33/15/63/266331563.db2.gz WYXYZHLOUNPRHN-SSDOTTSWSA-N 0 1 273.327 3.667 20 0 CHADMN C[C@H](c1noc(-c2cc(-c3ccc(F)cc3)n[nH]2)n1)C1CC1 ZINC000357603549 266333250 /nfs/dbraw/zinc/33/32/50/266333250.db2.gz PJTGAOLYGLMRHQ-VIFPVBQESA-N 0 1 298.321 3.779 20 0 CHADMN Cc1cccc(C)c1CN(Cc1ccccn1)C1CC1 ZINC000357616287 266337047 /nfs/dbraw/zinc/33/70/47/266337047.db2.gz GEYDZUVTEDDYPK-UHFFFAOYSA-N 0 1 266.388 3.863 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CCC[C@H](C)[C@@H]1C ZINC000357732325 266352684 /nfs/dbraw/zinc/35/26/84/266352684.db2.gz OMABGNUVVCKUKS-STQMWFEESA-N 0 1 289.398 3.816 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1ccc(C2CC2)cc1 ZINC000357805170 266367381 /nfs/dbraw/zinc/36/73/81/266367381.db2.gz XXDKIYLAPFEVEH-CYBMUJFWSA-N 0 1 267.376 3.513 20 0 CHADMN Cc1nccc(CN[C@H](C)c2ccc(C3CC3)cc2)n1 ZINC000418109886 266395461 /nfs/dbraw/zinc/39/54/61/266395461.db2.gz AOQUHNBWDJUSBF-GFCCVEGCSA-N 0 1 267.376 3.513 20 0 CHADMN COc1cc(C)c([C@@H](C)NCc2ccoc2C)cc1OC ZINC000358012212 266396760 /nfs/dbraw/zinc/39/67/60/266396760.db2.gz HFBXJFIINKBSHL-GFCCVEGCSA-N 0 1 289.375 3.764 20 0 CHADMN Cc1occc1CN[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000358017824 266398508 /nfs/dbraw/zinc/39/85/08/266398508.db2.gz ITOOCNIQSRTKPN-ZDUSSCGKSA-N 0 1 281.359 3.625 20 0 CHADMN Cc1occc1CN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000358018745 266398587 /nfs/dbraw/zinc/39/85/87/266398587.db2.gz JEVPTVOFYSFMJR-ZDUSSCGKSA-N 0 1 298.386 3.566 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1cccn1C)[C@H]2C ZINC000359302777 266562088 /nfs/dbraw/zinc/56/20/88/266562088.db2.gz UGKCNAMZDPFARD-KBPBESRZSA-N 0 1 284.403 3.542 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@H](C)c1cnn(C(C)C)c1 ZINC000359334604 266566251 /nfs/dbraw/zinc/56/62/51/266566251.db2.gz CVSFPIFSMWOZNC-KGLIPLIRSA-N 0 1 286.423 3.833 20 0 CHADMN Cc1nn(C(C)C)cc1CNCc1ccc2ccccc2n1 ZINC000361889986 266900531 /nfs/dbraw/zinc/90/05/31/266900531.db2.gz RZZMNECYBACECE-UHFFFAOYSA-N 0 1 294.402 3.610 20 0 CHADMN Fc1ccccc1-c1n[nH]cc1CN1CC2(C1)CCCC2 ZINC000362321667 266961484 /nfs/dbraw/zinc/96/14/84/266961484.db2.gz KNIVGWFMZBLNGR-UHFFFAOYSA-N 0 1 285.366 3.592 20 0 CHADMN C[C@@H](NCc1ccccn1)c1ccc2ncsc2c1 ZINC000362524116 267001106 /nfs/dbraw/zinc/00/11/06/267001106.db2.gz HRQMHABGLGPYFM-LLVKDONJSA-N 0 1 269.373 3.542 20 0 CHADMN CCC1(CC)CCN([C@@H](C)c2ncc(C)o2)CC1 ZINC000362595165 267015862 /nfs/dbraw/zinc/01/58/62/267015862.db2.gz AFSWAXCPSDPETH-ZDUSSCGKSA-N 0 1 250.386 3.946 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1nnc(-c2ccco2)o1 ZINC000362943071 267064464 /nfs/dbraw/zinc/06/44/64/267064464.db2.gz WYRKHWHNZSMZEJ-ZDUSSCGKSA-N 0 1 289.379 3.874 20 0 CHADMN CCn1nccc1CN[C@H](C)c1ccc(C2CC2)cc1 ZINC000418116470 267130626 /nfs/dbraw/zinc/13/06/26/267130626.db2.gz QUJQSCWKBYPZRQ-CYBMUJFWSA-N 0 1 269.392 3.631 20 0 CHADMN C(N[C@@H]1CCCCC12CCCC2)c1nc(C2CC2)no1 ZINC000368260123 267156351 /nfs/dbraw/zinc/15/63/51/267156351.db2.gz MEDWMRWHXPWCLF-CYBMUJFWSA-N 0 1 275.396 3.540 20 0 CHADMN COC[C@H]1CCCCN(Cc2ncc(C(C)(C)C)s2)C1 ZINC000369103486 267221468 /nfs/dbraw/zinc/22/14/68/267221468.db2.gz XQNBAIRWZMFRHP-ZDUSSCGKSA-N 0 1 296.480 3.689 20 0 CHADMN CCCn1cc(CN2CCc3sccc3[C@@H]2CC)cn1 ZINC000119128418 267302639 /nfs/dbraw/zinc/30/26/39/267302639.db2.gz ZUEFYZBUKYEJDV-HNNXBMFYSA-N 0 1 289.448 3.864 20 0 CHADMN CCOc1cc(C)ccc1CN[C@H](C)c1cncc(F)c1 ZINC000119251581 267313635 /nfs/dbraw/zinc/31/36/35/267313635.db2.gz AVVXAOAUDNJZQD-CYBMUJFWSA-N 0 1 288.366 3.779 20 0 CHADMN CCn1cc([C@H](C)NCc2ccc(C)cc2SC)cn1 ZINC000119278786 267314598 /nfs/dbraw/zinc/31/45/98/267314598.db2.gz KJYVDZNVLJAZNL-ZDUSSCGKSA-N 0 1 289.448 3.784 20 0 CHADMN Cc1nc(CN2CCC[C@@H](CC(C)C)C2)oc1C ZINC000119275691 267314930 /nfs/dbraw/zinc/31/49/30/267314930.db2.gz RIDRIWRLLWXEFX-AWEZNQCLSA-N 0 1 250.386 3.550 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CC[C@](C)(c2ccccc2)C1 ZINC000370395681 267316806 /nfs/dbraw/zinc/31/68/06/267316806.db2.gz NLNPHWFSWQHERJ-ACJLOTCBSA-N 0 1 297.402 3.672 20 0 CHADMN c1cc([C@H]2CN(c3ccnc4ccccc43)CCO2)cs1 ZINC000370442012 267319931 /nfs/dbraw/zinc/31/99/31/267319931.db2.gz QSNFMUNLOCMSPF-QGZVFWFLSA-N 0 1 296.395 3.874 20 0 CHADMN C[C@H](Cc1ccc(O)cc1)N(C)Cc1ccncc1Cl ZINC000119373358 267326355 /nfs/dbraw/zinc/32/63/55/267326355.db2.gz IDSHEIHSEKLZJW-GFCCVEGCSA-N 0 1 290.794 3.504 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN2CCC(OCC3CC3)CC2)o1 ZINC000371333975 267392449 /nfs/dbraw/zinc/39/24/49/267392449.db2.gz FOXJKPNFSXMLHL-SUMWQHHRSA-N 0 1 289.419 3.794 20 0 CHADMN Cc1ncccc1CN1CCc2sccc2[C@@H]1C ZINC000371392743 267399361 /nfs/dbraw/zinc/39/93/61/267399361.db2.gz RTPLSGPUHXQCHL-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN Fc1cccc(-c2nc(CN3CC4CCC3CC4)co2)c1 ZINC000371392851 267399653 /nfs/dbraw/zinc/39/96/53/267399653.db2.gz LNDACFLDLATVAY-UHFFFAOYSA-N 0 1 286.350 3.855 20 0 CHADMN C[C@@H]1[C@H](C)SCCN1Cc1ccc(Cl)cc1 ZINC000303657098 267696700 /nfs/dbraw/zinc/69/67/00/267696700.db2.gz CPXPOSFFWUITCH-MNOVXSKESA-N 0 1 255.814 3.666 20 0 CHADMN CCCN(CCC)Cc1nnc(Cc2ccccc2C)o1 ZINC000122424925 267848944 /nfs/dbraw/zinc/84/89/44/267848944.db2.gz MTYLCCSPRVZLGZ-UHFFFAOYSA-N 0 1 287.407 3.591 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1csc(-c2ccco2)n1 ZINC000123030536 267981027 /nfs/dbraw/zinc/98/10/27/267981027.db2.gz DTFDZJNQFUIOSR-GHMZBOCLSA-N 0 1 262.378 3.776 20 0 CHADMN CCCCc1nc(CN2CCC3(CCC3)C2)cs1 ZINC000123340793 268037671 /nfs/dbraw/zinc/03/76/71/268037671.db2.gz PTSHOUGENWYEHU-UHFFFAOYSA-N 0 1 264.438 3.862 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1coc(-c2cccs2)n1 ZINC000123465556 268054355 /nfs/dbraw/zinc/05/43/55/268054355.db2.gz FIKWNTVUGJRDBY-PHIMTYICSA-N 0 1 262.378 3.776 20 0 CHADMN CCN(Cc1ncc(Cl)s1)C1CCCCC1 ZINC000351993703 528889372 /nfs/dbraw/zinc/88/93/72/528889372.db2.gz BVQGAETZKNKGCQ-UHFFFAOYSA-N 0 1 258.818 3.951 20 0 CHADMN CC[C@H](N[C@H](C)c1cnn(C(C)C)c1)c1ccncc1 ZINC000163786582 327715432 /nfs/dbraw/zinc/71/54/32/327715432.db2.gz JGGNGPCHHSEBAF-CJNGLKHVSA-N 0 1 272.396 3.661 20 0 CHADMN C[C@@H](N[C@H]1CCC1(C)C)c1nnc(-c2ccccc2)o1 ZINC000580230700 327745338 /nfs/dbraw/zinc/74/53/38/327745338.db2.gz ZWKLTDAEDXHJTI-YPMHNXCESA-N 0 1 271.364 3.576 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2ccoc2)cc1OCC ZINC000171126899 327751799 /nfs/dbraw/zinc/75/17/99/327751799.db2.gz RHOOEAGPZNGCQL-CYBMUJFWSA-N 0 1 289.375 3.928 20 0 CHADMN C[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccccc1Br ZINC000378805294 327758720 /nfs/dbraw/zinc/75/87/20/327758720.db2.gz WPFSEZXKFKZUQC-ARENWVFISA-N 0 1 290.151 3.753 20 0 CHADMN CSCCCN[C@@H](c1nccs1)c1ccccc1 ZINC000173266631 327771382 /nfs/dbraw/zinc/77/13/82/327771382.db2.gz DQBNTYNFIBHQJZ-CYBMUJFWSA-N 0 1 278.446 3.575 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(Cl)nc1)c1ccccn1 ZINC000179093708 327799177 /nfs/dbraw/zinc/79/91/77/327799177.db2.gz LSGSCYQZYXTEFT-WDEREUQCSA-N 0 1 261.756 3.542 20 0 CHADMN Cc1cncc(CN[C@H]2CSCCc3ccccc32)c1 ZINC000181844020 327810516 /nfs/dbraw/zinc/81/05/16/327810516.db2.gz XTVINZYBWQUMET-KRWDZBQOSA-N 0 1 284.428 3.510 20 0 CHADMN Cc1cncc([C@H](C)N[C@H]2CCOc3ccc(F)cc32)c1 ZINC000184402558 327828006 /nfs/dbraw/zinc/82/80/06/327828006.db2.gz YPMCVUORSKZOQP-LRDDRELGSA-N 0 1 286.350 3.704 20 0 CHADMN CC[C@@H](NCCSC)c1nc(C(F)(F)F)cs1 ZINC000185926646 327851100 /nfs/dbraw/zinc/85/11/00/327851100.db2.gz LYWYLUGPUYCJEM-SSDOTTSWSA-N 0 1 284.372 3.566 20 0 CHADMN Cc1oc2ccccc2c1CN[C@H](C)c1nccnc1C ZINC000188478067 327864115 /nfs/dbraw/zinc/86/41/15/327864115.db2.gz QJKXWTHBSMIVFF-GFCCVEGCSA-N 0 1 281.359 3.690 20 0 CHADMN CCCc1ccc(CN[C@H](C)c2ccccn2)cc1 ZINC000194886434 327884331 /nfs/dbraw/zinc/88/43/31/327884331.db2.gz ONJDHOXFVBGAQQ-CQSZACIVSA-N 0 1 254.377 3.885 20 0 CHADMN COC[C@@H](NCc1cccc(C)c1)c1ccc(F)cc1 ZINC000531206618 327889617 /nfs/dbraw/zinc/88/96/17/327889617.db2.gz IRZOGSGVKTXNMS-QGZVFWFLSA-N 0 1 273.351 3.611 20 0 CHADMN O=C([O-])[C@H]([NH2+]Cc1csc2ccccc12)c1ccccc1 ZINC000054463703 327897701 /nfs/dbraw/zinc/89/77/01/327897701.db2.gz TWADNFPCDUNLFP-MRXNPFEDSA-N 0 1 297.379 3.817 20 0 CHADMN Clc1cccc(Cl)c1[C@@H](N[C@H]1CCOC1)C1CC1 ZINC000583469490 327911864 /nfs/dbraw/zinc/91/18/64/327911864.db2.gz PFVHKLWMVZVCAH-HZMBPMFUSA-N 0 1 286.202 3.823 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H]1CCCc2cc(F)ccc21 ZINC000188293507 327913227 /nfs/dbraw/zinc/91/32/27/327913227.db2.gz UESVIWLRFRGCFN-MLGOLLRUSA-N 0 1 285.366 3.652 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H](C)C2CCCC2)n1 ZINC000184642098 327913460 /nfs/dbraw/zinc/91/34/60/327913460.db2.gz ZHJJYOGDVQEPAY-WDEREUQCSA-N 0 1 283.441 3.552 20 0 CHADMN FCC1(NCc2ccc(Cl)c(Cl)c2)CCC1 ZINC000563122734 327926993 /nfs/dbraw/zinc/92/69/93/327926993.db2.gz PCAQIQQROMCTRK-UHFFFAOYSA-N 0 1 262.155 3.975 20 0 CHADMN CC[C@H](NCc1ccc(COC)o1)c1ccc(C)cc1 ZINC000125097646 327995843 /nfs/dbraw/zinc/99/58/43/327995843.db2.gz HBPUSPCUZJUCFO-KRWDZBQOSA-N 0 1 273.376 3.975 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCCC2(CCCCC2)C1 ZINC000563280418 328007254 /nfs/dbraw/zinc/00/72/54/328007254.db2.gz STKIYFLYMMDOFC-UHFFFAOYSA-N 0 1 267.413 3.678 20 0 CHADMN O=C([O-])CC1(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000563280341 328007281 /nfs/dbraw/zinc/00/72/81/328007281.db2.gz QQVXPUFKYHQKPT-BBWFWOEESA-N 0 1 299.414 3.509 20 0 CHADMN Cc1cc(CN2CCC(CCC(C)C)CC2)on1 ZINC000531588922 328016907 /nfs/dbraw/zinc/01/69/07/328016907.db2.gz GSPCFXAXJDLDPE-UHFFFAOYSA-N 0 1 250.386 3.631 20 0 CHADMN CCc1cc(CN[C@H](C)c2ccc(C)c(C)c2)on1 ZINC000531725921 328023781 /nfs/dbraw/zinc/02/37/81/328023781.db2.gz KNQXNILDBYNHNC-CYBMUJFWSA-N 0 1 258.365 3.705 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@H](CO)c1ccccc1C ZINC000531737115 328028947 /nfs/dbraw/zinc/02/89/47/328028947.db2.gz LNBNPQIIHAVHGE-MAUKXSAKSA-N 0 1 299.414 3.696 20 0 CHADMN COc1ccccc1CN[C@@H]1CCc2c1cccc2F ZINC000110058919 328031890 /nfs/dbraw/zinc/03/18/90/328031890.db2.gz JJWJODKYESSWFB-MRXNPFEDSA-N 0 1 271.335 3.611 20 0 CHADMN COc1ccccc1CN[C@H]1CCc2c1cccc2F ZINC000110058923 328031936 /nfs/dbraw/zinc/03/19/36/328031936.db2.gz JJWJODKYESSWFB-INIZCTEOSA-N 0 1 271.335 3.611 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@@H](C)c2cscn2)C1(CC)CC ZINC000534329140 328046165 /nfs/dbraw/zinc/04/61/65/328046165.db2.gz PKBSVRKSKBBJST-FPMFFAJLSA-N 0 1 282.453 3.778 20 0 CHADMN CC[C@@H](NCc1c(C)noc1C)c1ccc(F)cc1 ZINC000110366502 328048899 /nfs/dbraw/zinc/04/88/99/328048899.db2.gz IDESWEMAPDIYGU-OAHLLOKOSA-N 0 1 262.328 3.671 20 0 CHADMN C[C@@H]1C[C@@H](C)N1Cc1ccc(OCc2ccccc2)nc1 ZINC000563350167 328056933 /nfs/dbraw/zinc/05/69/33/328056933.db2.gz ZYBUEUQJQYHFAP-HUUCEWRRSA-N 0 1 282.387 3.643 20 0 CHADMN Cc1csc(CN[C@@H](C)c2cn3ccccc3n2)c1 ZINC000563419157 328063723 /nfs/dbraw/zinc/06/37/23/328063723.db2.gz SXZQBVAXJQSUQI-LBPRGKRZSA-N 0 1 271.389 3.555 20 0 CHADMN O=C([O-])CC1(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000567395945 328069437 /nfs/dbraw/zinc/06/94/37/328069437.db2.gz LPTGLPQYHQPROW-CQSZACIVSA-N 0 1 293.794 3.732 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000563453833 328067504 /nfs/dbraw/zinc/06/75/04/328067504.db2.gz NUYKEGDKWHDXAC-BLLLJJGKSA-N 0 1 293.382 3.925 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](CC1CCC1)CC1(C(=O)[O-])CC1 ZINC000563630140 328078739 /nfs/dbraw/zinc/07/87/39/328078739.db2.gz JZMZZRWKTPQJGK-CQSZACIVSA-N 0 1 287.403 3.715 20 0 CHADMN CCc1ncc(CN[C@H]2CCCc3c4ccccc4[nH]c32)o1 ZINC000571137772 328087831 /nfs/dbraw/zinc/08/78/31/328087831.db2.gz NXYOZRNSHUITDC-INIZCTEOSA-N 0 1 295.386 3.886 20 0 CHADMN CCc1ncc(CN[C@@H]2CCCc3c4ccccc4[nH]c32)o1 ZINC000571137773 328087888 /nfs/dbraw/zinc/08/78/88/328087888.db2.gz NXYOZRNSHUITDC-MRXNPFEDSA-N 0 1 295.386 3.886 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1ccccc1F ZINC000571152667 328088674 /nfs/dbraw/zinc/08/86/74/328088674.db2.gz OICSOHMNRLZEBU-ZDUSSCGKSA-N 0 1 255.336 3.945 20 0 CHADMN CC[C@@]1(C)CC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000571452930 328122856 /nfs/dbraw/zinc/12/28/56/328122856.db2.gz LDZCGRGKHVOWJC-HNNXBMFYSA-N 0 1 281.783 3.660 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@H+]1CCCc1cccc2ccccc21 ZINC000571529534 328132145 /nfs/dbraw/zinc/13/21/45/328132145.db2.gz MKMCBIGZFWHAFW-KRWDZBQOSA-N 0 1 297.398 3.712 20 0 CHADMN COc1cccc2c1CCC[C@@H]2NCc1cnc(C2CC2)o1 ZINC000571614436 328137795 /nfs/dbraw/zinc/13/77/95/328137795.db2.gz XGPKGDAREMZOLP-INIZCTEOSA-N 0 1 298.386 3.728 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2CC[C@H]1C)c1cc2n(n1)CCC2 ZINC000414112850 328152891 /nfs/dbraw/zinc/15/28/91/328152891.db2.gz YGEVGRUWJZGOMA-BIENJYKASA-N 0 1 295.430 3.804 20 0 CHADMN C[C@H](N[C@H]1CC[C@](C)(c2ccccc2)C1)c1csnn1 ZINC000414306809 328154454 /nfs/dbraw/zinc/15/44/54/328154454.db2.gz RFLKHEAFLSKETB-NOLJZWGESA-N 0 1 287.432 3.699 20 0 CHADMN CSCc1cc(F)ccc1CNCc1ccoc1C ZINC000414355094 328154645 /nfs/dbraw/zinc/15/46/45/328154645.db2.gz AJGIMCRTLMBXNL-UHFFFAOYSA-N 0 1 279.380 3.880 20 0 CHADMN Cc1occc1CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000414368969 328156072 /nfs/dbraw/zinc/15/60/72/328156072.db2.gz IFZZOZSOEUMHCS-OAHLLOKOSA-N 0 1 291.416 3.831 20 0 CHADMN CCc1ncc(CN2CCCCC[C@H]2c2ccco2)cn1 ZINC000414395151 328162611 /nfs/dbraw/zinc/16/26/11/328162611.db2.gz MDRHLYGUYCNLHJ-HNNXBMFYSA-N 0 1 285.391 3.749 20 0 CHADMN Cc1ccc2cc(CN3CCO[C@@H](C4CCC4)C3)ccc2n1 ZINC000414470897 328184302 /nfs/dbraw/zinc/18/43/02/328184302.db2.gz JZFZJJIPMBIMLU-LJQANCHMSA-N 0 1 296.414 3.544 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cnc(C)nc2C)cc1 ZINC000269017822 328188611 /nfs/dbraw/zinc/18/86/11/328188611.db2.gz OXZMYTMYNDWRKL-RYUDHWBXSA-N 0 1 285.391 3.514 20 0 CHADMN CC(C)(C)c1ccc(CN[C@H]2CCCc3c[nH]nc32)s1 ZINC000269256778 328190236 /nfs/dbraw/zinc/19/02/36/328190236.db2.gz AKSZIYVKRFCSSB-ZDUSSCGKSA-N 0 1 289.448 3.936 20 0 CHADMN CCC[C@@H](C)N(C)CC(=O)Nc1c(C)cccc1Cl ZINC000270308523 328193009 /nfs/dbraw/zinc/19/30/09/328193009.db2.gz PMTSWRKRDSDHGR-GFCCVEGCSA-N 0 1 282.815 3.707 20 0 CHADMN CSc1cc(-c2nc([C@@H](N)CC(C)C)no2)ccc1F ZINC000414612279 328201258 /nfs/dbraw/zinc/20/12/58/328201258.db2.gz DJRIGUJTQUCYDV-NSHDSACASA-N 0 1 295.383 3.644 20 0 CHADMN COC[C@H](NC1CC(c2cccc(F)c2)C1)c1ccco1 ZINC000272946950 328201809 /nfs/dbraw/zinc/20/18/09/328201809.db2.gz NDRXLASXWHRUFS-BCLQGDPASA-N 0 1 289.350 3.642 20 0 CHADMN CC1=C[C@H](C)CN([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000430283897 328214168 /nfs/dbraw/zinc/21/41/68/328214168.db2.gz JURJVPCLZPUVAD-GXTWGEPZSA-N 0 1 283.375 3.696 20 0 CHADMN C[C@H]1CN(Cc2ccc(C(F)F)cc2)CC(C)(C)O1 ZINC000183929216 329254744 /nfs/dbraw/zinc/25/47/44/329254744.db2.gz YXQCLSICAZYDKR-NSHDSACASA-N 0 1 269.335 3.624 20 0 CHADMN COc1cccc2cc([C@@H](C)N[C@@H]3CCC[C@@H]3F)oc21 ZINC000580338281 328275101 /nfs/dbraw/zinc/27/51/01/328275101.db2.gz RYQDIDCKWJUQFA-KGYLQXTDSA-N 0 1 277.339 3.983 20 0 CHADMN Cc1nc2ccc(NC(=O)C[C@H](C)CC(C)C)cc2[nH]1 ZINC000340527145 328288978 /nfs/dbraw/zinc/28/89/78/328288978.db2.gz DPMKAPPACZSMNT-LLVKDONJSA-N 0 1 273.380 3.882 20 0 CHADMN Clc1ccc([C@@H]2CSCCN2CC2CC2)cc1 ZINC000531912593 328308215 /nfs/dbraw/zinc/30/82/15/328308215.db2.gz KHBYFWYTMYIBNE-AWEZNQCLSA-N 0 1 267.825 3.840 20 0 CHADMN CCCCN(C(=O)c1cc(C2CCCCC2)[nH]n1)C1CC1 ZINC000534633195 328332285 /nfs/dbraw/zinc/33/22/85/328332285.db2.gz IDPPXEWWKYXZJJ-UHFFFAOYSA-N 0 1 289.423 3.862 20 0 CHADMN C[C@@H](NC[C@@H]1CCC(C)(C)O1)c1nc2c(s1)CCCC2 ZINC000187869680 328337774 /nfs/dbraw/zinc/33/77/74/328337774.db2.gz XTJLERCAUBBDAT-NEPJUHHUSA-N 0 1 294.464 3.630 20 0 CHADMN COCC1(NCc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000531957572 328339284 /nfs/dbraw/zinc/33/92/84/328339284.db2.gz CCWWLNLAIGBMMB-UHFFFAOYSA-N 0 1 271.360 3.524 20 0 CHADMN C[C@H](N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccoc1 ZINC000531962493 328347420 /nfs/dbraw/zinc/34/74/20/328347420.db2.gz OPVRJOSIWCAZHT-ZLIFDBKOSA-N 0 1 289.350 3.990 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000049236421 328352187 /nfs/dbraw/zinc/35/21/87/328352187.db2.gz VFYPDVLOEZMSKK-TXEJJXNPSA-N 0 1 291.826 3.705 20 0 CHADMN c1ccc2sc(N3CCN([C@H]4C=CCCC4)CC3)nc2c1 ZINC000534689620 328358150 /nfs/dbraw/zinc/35/81/50/328358150.db2.gz BWTZNSKAEJPSIM-AWEZNQCLSA-N 0 1 299.443 3.527 20 0 CHADMN CCC(CC)[C@H](C)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000534899194 328369167 /nfs/dbraw/zinc/36/91/67/328369167.db2.gz XUTPFFYBQSEKAE-LBPRGKRZSA-N 0 1 287.407 3.560 20 0 CHADMN CC[C@@H]1CCCN1Cc1ccc(F)c(Br)c1 ZINC000049595393 328373933 /nfs/dbraw/zinc/37/39/33/328373933.db2.gz MUXQAOSDPGKCKZ-LLVKDONJSA-N 0 1 286.188 3.963 20 0 CHADMN Oc1ccc(-c2nc(-c3ccccc3)no2)cc1Cl ZINC000111687267 328374479 /nfs/dbraw/zinc/37/44/79/328374479.db2.gz YZDTUQVFZIZNCC-UHFFFAOYSA-N 0 1 272.691 3.763 20 0 CHADMN Oc1cc(Cl)ccc1-c1nc(Cc2cccs2)no1 ZINC000111688170 328374917 /nfs/dbraw/zinc/37/49/17/328374917.db2.gz VNNBGIGCRUFNNF-UHFFFAOYSA-N 0 1 292.747 3.748 20 0 CHADMN Oc1ccc(-c2nc(-c3ccccc3F)no2)cc1Cl ZINC000111688220 328374999 /nfs/dbraw/zinc/37/49/99/328374999.db2.gz DNOHLGZQIIGFMT-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN Cc1cc(CN(C)C[C@@H]2CCCC(C)(C)C2)no1 ZINC000535078025 328383052 /nfs/dbraw/zinc/38/30/52/328383052.db2.gz JYHILWXIWFAAIF-CYBMUJFWSA-N 0 1 250.386 3.631 20 0 CHADMN C[C@@H](O)[C@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000305155262 328394545 /nfs/dbraw/zinc/39/45/45/328394545.db2.gz BYOOPNNZMBUXLE-MNOVXSKESA-N 0 1 288.218 3.586 20 0 CHADMN Cc1cncc([C@H](C)N[C@H](C)c2cnn(C(C)C)c2)c1 ZINC000546645941 328395847 /nfs/dbraw/zinc/39/58/47/328395847.db2.gz UYRVSUXPRWBHLF-UONOGXRCSA-N 0 1 272.396 3.579 20 0 CHADMN COc1c(O)cccc1CN[C@@H](c1cccs1)C1CC1 ZINC000342020396 328416028 /nfs/dbraw/zinc/41/60/28/328416028.db2.gz NSHJOLJRSNXDLB-OAHLLOKOSA-N 0 1 289.400 3.703 20 0 CHADMN COc1ccc([C@H](C)NCc2scnc2C)cc1Cl ZINC000112543891 328441084 /nfs/dbraw/zinc/44/10/84/328441084.db2.gz ACZHDWXUBMOOBB-VIFPVBQESA-N 0 1 296.823 3.964 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccccn1)c1ccc2c(c1)OCCO2 ZINC000152346451 328515370 /nfs/dbraw/zinc/51/53/70/328515370.db2.gz PVGZXXAXHLMBHK-DZGCQCFKSA-N 0 1 298.386 3.655 20 0 CHADMN Cc1ccc2cc([C@@H](C)N[C@H](C)c3cn[nH]c3)oc2c1 ZINC000426059095 328539732 /nfs/dbraw/zinc/53/97/32/328539732.db2.gz NQICVNTZEAHLHX-VXGBXAGGSA-N 0 1 269.348 3.876 20 0 CHADMN Cc1ccc2cc([C@@H](C)N[C@@H](C)c3cn[nH]c3)oc2c1 ZINC000426059092 328539863 /nfs/dbraw/zinc/53/98/63/328539863.db2.gz NQICVNTZEAHLHX-NWDGAFQWSA-N 0 1 269.348 3.876 20 0 CHADMN CCCN(C)Cc1csc(-c2cccs2)n1 ZINC000063762111 329399394 /nfs/dbraw/zinc/39/93/94/329399394.db2.gz OHTVGNYKCOHLKB-UHFFFAOYSA-N 0 1 252.408 3.713 20 0 CHADMN CC1(NCc2ncc(Cl)cc2Br)CCC1 ZINC000527682031 330271042 /nfs/dbraw/zinc/27/10/42/330271042.db2.gz AUZIXTODJJOWOH-UHFFFAOYSA-N 0 1 289.604 3.530 20 0 CHADMN Cc1cc(C)c(CN[C@H](CO)c2ccc(F)cc2)cc1C ZINC000584015530 326849278 /nfs/dbraw/zinc/84/92/78/326849278.db2.gz KQGOCTSFJXINEM-GOSISDBHSA-N 0 1 287.378 3.574 20 0 CHADMN CCOc1ccccc1CN[C@H](C)c1cccc(OC)c1 ZINC000037771357 326861116 /nfs/dbraw/zinc/86/11/16/326861116.db2.gz VCLOPIMRLNMAIU-CQSZACIVSA-N 0 1 285.387 3.945 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc3c2OCCO3)cc1 ZINC000037770597 326861192 /nfs/dbraw/zinc/86/11/92/326861192.db2.gz VULGVRMXAKBBTH-CQSZACIVSA-N 0 1 283.371 3.617 20 0 CHADMN COCCC1CCN(Cc2cc(OC)ccc2Cl)CC1 ZINC000528577222 326878391 /nfs/dbraw/zinc/87/83/91/326878391.db2.gz LIFDDGSYORZLOH-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN CC(C)Oc1ccc([C@@H](C)N[C@@H](C)c2cnccn2)cc1 ZINC000070478051 326917031 /nfs/dbraw/zinc/91/70/31/326917031.db2.gz ILVCALFYGDTTCF-KGLIPLIRSA-N 0 1 285.391 3.676 20 0 CHADMN CC(C)C1CCN(Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000556599887 326953885 /nfs/dbraw/zinc/95/38/85/326953885.db2.gz BOCQXEZVHYTBJN-UHFFFAOYSA-N 0 1 275.440 3.642 20 0 CHADMN CC(C)CCc1nc(CN(C)[C@@H](C)C2CC2)cs1 ZINC000557339561 327002303 /nfs/dbraw/zinc/00/23/03/327002303.db2.gz GEFAQUSTIQHCJJ-LBPRGKRZSA-N 0 1 266.454 3.962 20 0 CHADMN C[C@@H](N[C@@H]1CSC1(C)C)c1ccc(F)cc1F ZINC000338792054 327006390 /nfs/dbraw/zinc/00/63/90/327006390.db2.gz MJWYMNHNOURKNE-PRHODGIISA-N 0 1 257.349 3.509 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](C)[C@H]1C ZINC000177866894 327029774 /nfs/dbraw/zinc/02/97/74/327029774.db2.gz CDOZVFOESPZCQM-UTUOFQBUSA-N 0 1 250.386 3.763 20 0 CHADMN CO[C@@H]1[C@H](C)[C@H](NCc2csc(C(C)(C)C)n2)C1(C)C ZINC000557933214 327035735 /nfs/dbraw/zinc/03/57/35/327035735.db2.gz GVATZKLHMODHQZ-KGYLQXTDSA-N 0 1 296.480 3.590 20 0 CHADMN O=C(CCc1ccsc1)Nc1cc(Cl)c(O)cc1F ZINC000557951772 327037060 /nfs/dbraw/zinc/03/70/60/327037060.db2.gz PNNUDLAOPOFMOC-UHFFFAOYSA-N 0 1 299.754 3.818 20 0 CHADMN CCc1ccc([C@@H]2CC[N@@H+](Cc3cc(C(=O)[O-])co3)C2)cc1 ZINC000584125171 327046902 /nfs/dbraw/zinc/04/69/02/327046902.db2.gz LVWIOMCTUSGMFG-OAHLLOKOSA-N 0 1 299.370 3.530 20 0 CHADMN C/C=C\c1ccc(NC(=O)Nc2c(C)n[nH]c2C)cc1 ZINC000558365441 327088801 /nfs/dbraw/zinc/08/88/01/327088801.db2.gz XAGUDTWBKOSYBJ-PLNGDYQASA-N 0 1 270.336 3.704 20 0 CHADMN Cc1ccc(C(C)(C)C[N@H+](C)Cc2ncccc2[O-])cc1 ZINC000558400301 327090616 /nfs/dbraw/zinc/09/06/16/327090616.db2.gz KOEJSSTUJQPHKD-UHFFFAOYSA-N 0 1 284.403 3.505 20 0 CHADMN Cc1ccc(C(C)(C)C[N@@H+](C)Cc2ncccc2[O-])cc1 ZINC000558400301 327090618 /nfs/dbraw/zinc/09/06/18/327090618.db2.gz KOEJSSTUJQPHKD-UHFFFAOYSA-N 0 1 284.403 3.505 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1ccc(Cl)cn1 ZINC000558407915 327092205 /nfs/dbraw/zinc/09/22/05/327092205.db2.gz JLGSQRRRODCYEQ-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN CCCC[C@H](C)N(C)CC(=O)Nc1cccc(SC)c1 ZINC000558475147 327096957 /nfs/dbraw/zinc/09/69/57/327096957.db2.gz BQNMHXZMRHVWCU-ZDUSSCGKSA-N 0 1 294.464 3.858 20 0 CHADMN CCCC[C@@H](C)N(C)CC(=O)Nc1cccc(SC)c1 ZINC000558475146 327096984 /nfs/dbraw/zinc/09/69/84/327096984.db2.gz BQNMHXZMRHVWCU-CYBMUJFWSA-N 0 1 294.464 3.858 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1nc(C(C)(C)C)no1 ZINC000558562611 327106093 /nfs/dbraw/zinc/10/60/93/327106093.db2.gz FWDYENYBBWHXSK-QWHCGFSZSA-N 0 1 279.428 3.768 20 0 CHADMN CC(C)SCCN1CCc2cc(Cl)ccc2C1 ZINC000558734456 327118096 /nfs/dbraw/zinc/11/80/96/327118096.db2.gz DWDOPRYPISPCNX-UHFFFAOYSA-N 0 1 269.841 3.840 20 0 CHADMN CCN1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000558745237 327118693 /nfs/dbraw/zinc/11/86/93/327118693.db2.gz CCJFSKDOUCSKSA-GFCCVEGCSA-N 0 1 261.262 3.596 20 0 CHADMN CC[C@H](F)CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000558740440 327118774 /nfs/dbraw/zinc/11/87/74/327118774.db2.gz JOZAJKLSAWWJBB-WDEREUQCSA-N 0 1 267.310 3.789 20 0 CHADMN CC(C)Oc1cccc(CN[C@@H](C)c2ccccn2)c1 ZINC000040640060 327145866 /nfs/dbraw/zinc/14/58/66/327145866.db2.gz DZMXSIAMQHZGPA-AWEZNQCLSA-N 0 1 270.376 3.720 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](C)[C@H]1C)c1nc(C2CCCCC2)no1 ZINC000559303665 327157547 /nfs/dbraw/zinc/15/75/47/327157547.db2.gz IUKMHSXVJWBCTI-KZVDOYCCSA-N 0 1 277.412 3.812 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000086757326 327158715 /nfs/dbraw/zinc/15/87/15/327158715.db2.gz OMICXIDKZXBQPX-VXGBXAGGSA-N 0 1 281.783 3.588 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@@H]1CSC[C@@H]1C ZINC000569394080 327172146 /nfs/dbraw/zinc/17/21/46/327172146.db2.gz FFKCKLHKHJUNSJ-LKFCYVNXSA-N 0 1 292.379 3.546 20 0 CHADMN CCC[C@H]1CCC[N@H+]([C@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000518546911 327173437 /nfs/dbraw/zinc/17/34/37/327173437.db2.gz QRXYDWTWONSXKY-OLZOCXBDSA-N 0 1 279.380 3.859 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2Cl)CCC1(F)F ZINC000573488489 327185605 /nfs/dbraw/zinc/18/56/05/327185605.db2.gz JIEJJUDRATWTIZ-SNVBAGLBSA-N 0 1 259.727 3.817 20 0 CHADMN Fc1ccc2c(c1)CCN(CCCCC(F)(F)F)C2 ZINC000091893524 327186905 /nfs/dbraw/zinc/18/69/05/327186905.db2.gz FCLDFHWNTKXMHW-UHFFFAOYSA-N 0 1 275.289 3.916 20 0 CHADMN Cc1ccc(CN(CCC(F)(F)F)CC2CC2)o1 ZINC000091901513 327187262 /nfs/dbraw/zinc/18/72/62/327187262.db2.gz JQRJQEDYPPCLKX-UHFFFAOYSA-N 0 1 261.287 3.752 20 0 CHADMN c1ccc2c(c1)cccc2C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000569572443 327200159 /nfs/dbraw/zinc/20/01/59/327200159.db2.gz BIEHJJQGYAPINT-SFHVURJKSA-N 0 1 299.439 3.548 20 0 CHADMN CCCC[C@@H](C)N(CCCC)Cc1nnc(CC)[nH]1 ZINC000559386393 327200249 /nfs/dbraw/zinc/20/02/49/327200249.db2.gz JYQOEYURRQYMJP-CYBMUJFWSA-N 0 1 266.433 3.548 20 0 CHADMN FC(F)(F)C1=CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000533835679 327220971 /nfs/dbraw/zinc/22/09/71/327220971.db2.gz QAPMCYRSMPQISY-UHFFFAOYSA-N 0 1 281.321 3.870 20 0 CHADMN COc1cc(C)nc(CN(C)[C@@H](C)c2ccc(C)cc2)c1 ZINC000533841578 327221560 /nfs/dbraw/zinc/22/15/60/327221560.db2.gz LQOWDDGEZWEIPX-HNNXBMFYSA-N 0 1 284.403 3.900 20 0 CHADMN COc1ncccc1CNCc1csc2ccccc12 ZINC000047889464 327225299 /nfs/dbraw/zinc/22/52/99/327225299.db2.gz XTWMNUMBMPRACY-UHFFFAOYSA-N 0 1 284.384 3.595 20 0 CHADMN CCc1ccc([C@H]2CC[N@@H+](Cc3occc3C(=O)[O-])C2)cc1 ZINC000584303293 327231608 /nfs/dbraw/zinc/23/16/08/327231608.db2.gz OJMZWEAWLZFWSA-HNNXBMFYSA-N 0 1 299.370 3.530 20 0 CHADMN CN(Cc1ccoc1)Cc1ccc(Br)cc1 ZINC000042371587 327237386 /nfs/dbraw/zinc/23/73/86/327237386.db2.gz CCWBWEYBOBGVNX-UHFFFAOYSA-N 0 1 280.165 3.674 20 0 CHADMN FC[C@@H]1CCCN1[C@@H]1CCCc2ccc(F)cc21 ZINC000559409958 327243858 /nfs/dbraw/zinc/24/38/58/327243858.db2.gz JHXZMFAIQXNNBZ-DZGCQCFKSA-N 0 1 251.320 3.637 20 0 CHADMN FC[C@@H]1CCCN1[C@@H]1CCc2ccc(Cl)cc21 ZINC000559411652 327244197 /nfs/dbraw/zinc/24/41/97/327244197.db2.gz UDJJCLMSMZUDFB-GXTWGEPZSA-N 0 1 253.748 3.761 20 0 CHADMN Fc1ccccc1-n1ccc(CN2CC[C@H](CC3CC3)C2)n1 ZINC000559420592 327244696 /nfs/dbraw/zinc/24/46/96/327244696.db2.gz UFHDVBKUTCMYSJ-OAHLLOKOSA-N 0 1 299.393 3.633 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1cccc(C(F)(F)F)c1 ZINC000044497536 327267921 /nfs/dbraw/zinc/26/79/21/327267921.db2.gz OMIZWKIRDXINDH-MNOVXSKESA-N 0 1 297.324 3.851 20 0 CHADMN COc1cc(C)ccc1[C@H](C)N[C@@H]1CCC[C@@H]1F ZINC000559913210 327270687 /nfs/dbraw/zinc/27/06/87/327270687.db2.gz GYNZVBIPYGTIPF-FPMFFAJLSA-N 0 1 251.345 3.545 20 0 CHADMN CCc1ccc(-c2ccc(CN3CC[C@H]3COC)o2)cc1 ZINC000560068575 327282146 /nfs/dbraw/zinc/28/21/46/327282146.db2.gz PBKOBLAVCINTHF-INIZCTEOSA-N 0 1 285.387 3.730 20 0 CHADMN CO[C@@H]1CCN(Cc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000449496780 327283332 /nfs/dbraw/zinc/28/33/32/327283332.db2.gz JOLOUYAVJCLTGZ-IINYFYTJSA-N 0 1 288.218 3.850 20 0 CHADMN CC1(CN2CCc3ccc(Br)cc3C2)CC1 ZINC000560266703 327294887 /nfs/dbraw/zinc/29/48/87/327294887.db2.gz PQSRGNAXAZNDEG-UHFFFAOYSA-N 0 1 280.209 3.607 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1ccoc1 ZINC000560349600 327302041 /nfs/dbraw/zinc/30/20/41/327302041.db2.gz HKTKFJARSYWCNQ-TYNCELHUSA-N 0 1 257.333 3.843 20 0 CHADMN C[C@@H](NC[C@H]1CCC2(CCCC2)O1)c1c(F)cncc1F ZINC000560506341 327316574 /nfs/dbraw/zinc/31/65/74/327316574.db2.gz LMYITUPNUYQDHE-VXGBXAGGSA-N 0 1 296.361 3.502 20 0 CHADMN Clc1ccccc1OCCN1CCC[C@@H]1c1ccc[nH]1 ZINC000097491830 327326740 /nfs/dbraw/zinc/32/67/40/327326740.db2.gz SBBXKXQYJINWIV-OAHLLOKOSA-N 0 1 290.794 3.884 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3c(n2)CCC3)cc1 ZINC000560576082 327327280 /nfs/dbraw/zinc/32/72/80/327327280.db2.gz GATWVNKVSIWDDL-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN CCOC[C@@H]1CCCC[N@H+]1CCCCC(F)(F)F ZINC000459720315 331295750 /nfs/dbraw/zinc/29/57/50/331295750.db2.gz SPEUVTJOTVPONR-LBPRGKRZSA-N 0 1 267.335 3.610 20 0 CHADMN CC[C@@H]1C[C@H](CN(C)Cc2c(F)cccc2F)CCO1 ZINC000560604848 327329773 /nfs/dbraw/zinc/32/97/73/327329773.db2.gz VYJATFHMOOLQEP-CHWSQXEVSA-N 0 1 283.362 3.602 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1Cl ZINC000566358757 327334897 /nfs/dbraw/zinc/33/48/97/327334897.db2.gz MBTFFRWWKTWTBM-DOMZBBRYSA-N 0 1 293.794 3.803 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1Cl ZINC000566358762 327334963 /nfs/dbraw/zinc/33/49/63/327334963.db2.gz MBTFFRWWKTWTBM-WFASDCNBSA-N 0 1 293.794 3.803 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000566362783 327337871 /nfs/dbraw/zinc/33/78/71/327337871.db2.gz VLODHYCYZIXISC-BLLLJJGKSA-N 0 1 299.370 3.664 20 0 CHADMN C[C@H](NCCCc1ccsc1)c1nc(C(C)(C)C)no1 ZINC000583408295 327349436 /nfs/dbraw/zinc/34/94/36/327349436.db2.gz QVTAXKLFZFRMKW-NSHDSACASA-N 0 1 293.436 3.712 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1cccc(F)c1 ZINC000561007210 327357362 /nfs/dbraw/zinc/35/73/62/327357362.db2.gz IXSVZGLMLNMJNE-ZDUSSCGKSA-N 0 1 255.336 3.945 20 0 CHADMN CCCC[C@H](C)N(CCCC)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000583450253 327373322 /nfs/dbraw/zinc/37/33/22/327373322.db2.gz JURDMKPJBWIPBK-CABCVRRESA-N 0 1 293.455 3.796 20 0 CHADMN CCCC(C)(C)CC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000427431911 327376026 /nfs/dbraw/zinc/37/60/26/327376026.db2.gz OOXWNXGRRGSEDJ-RYUDHWBXSA-N 0 1 294.443 3.712 20 0 CHADMN CC(C)C[C@H]1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000561289849 327382520 /nfs/dbraw/zinc/38/25/20/327382520.db2.gz OKVNWLFEPGOHCC-CQSZACIVSA-N 0 1 297.402 3.585 20 0 CHADMN CCC[C@@H](C)CNC1(c2noc(C)n2)CCCCC1 ZINC000561455429 327396040 /nfs/dbraw/zinc/39/60/40/327396040.db2.gz NAZMMSCGEXVVEY-GFCCVEGCSA-N 0 1 265.401 3.563 20 0 CHADMN Cc1ccc2nc(NC(=O)Cc3cccc(Cl)c3)[nH]c2c1 ZINC000561502204 327399932 /nfs/dbraw/zinc/39/99/32/327399932.db2.gz JBEDNNSFFHHKEJ-UHFFFAOYSA-N 0 1 299.761 3.706 20 0 CHADMN OCC[C@@H](NCc1cccc(Cl)c1F)c1ccccc1 ZINC000150979748 327403444 /nfs/dbraw/zinc/40/34/44/327403444.db2.gz PPKABOJVEPAJRM-OAHLLOKOSA-N 0 1 293.769 3.692 20 0 CHADMN CCc1oc(C(=O)Nc2cc(Cl)c(O)cc2F)cc1C ZINC000561652267 327407531 /nfs/dbraw/zinc/40/75/31/327407531.db2.gz PCBQIYPLCKPMBO-UHFFFAOYSA-N 0 1 297.713 3.901 20 0 CHADMN C[C@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccccc1F ZINC000151041735 327418560 /nfs/dbraw/zinc/41/85/60/327418560.db2.gz SIAJMQZSJYTZGK-APPDUMDISA-N 0 1 273.326 3.988 20 0 CHADMN Cc1nn(C)cc1CN[C@@H]1CCCc2sc(Cl)cc21 ZINC000168675739 327478120 /nfs/dbraw/zinc/47/81/20/327478120.db2.gz FXLGWFVZMVQNCH-GFCCVEGCSA-N 0 1 295.839 3.611 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000507472106 332808227 /nfs/dbraw/zinc/80/82/27/332808227.db2.gz QJXANRDIRRAKGH-QWHCGFSZSA-N 0 1 298.386 3.785 20 0 CHADMN COc1cc(F)cc(C[C@H](C)N[C@@H](C)c2cscn2)c1 ZINC000570404456 327589165 /nfs/dbraw/zinc/58/91/65/327589165.db2.gz IQJDSEFNIFIDSH-QWRGUYRKSA-N 0 1 294.395 3.573 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2cccc(C)n2)cc1 ZINC000051573783 328623272 /nfs/dbraw/zinc/62/32/72/328623272.db2.gz BETSJPFBGBVSLN-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1cccc(OC)c1 ZINC000507523830 332812894 /nfs/dbraw/zinc/81/28/94/332812894.db2.gz IUALEUGBXKAAQS-ZDUSSCGKSA-N 0 1 270.376 3.503 20 0 CHADMN c1ccc2c(c1)CN(Cc1ccnc3ccccc13)C2 ZINC000536656930 328676706 /nfs/dbraw/zinc/67/67/06/328676706.db2.gz IBQMWUHEOKHMPY-UHFFFAOYSA-N 0 1 260.340 3.751 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1CCc2c1cccc2Cl ZINC000532206211 328707069 /nfs/dbraw/zinc/70/70/69/328707069.db2.gz AKOIHTRVAUIEDT-OAHLLOKOSA-N 0 1 276.767 3.722 20 0 CHADMN Cc1noc(C)c1CN[C@H]1CCc2c1cccc2Cl ZINC000532206210 328707079 /nfs/dbraw/zinc/70/70/79/328707079.db2.gz AKOIHTRVAUIEDT-HNNXBMFYSA-N 0 1 276.767 3.722 20 0 CHADMN CCC[C@@H](N[C@H](C)c1ccncn1)c1ccccc1 ZINC000395838195 328761513 /nfs/dbraw/zinc/76/15/13/328761513.db2.gz ZQIVFRDADSDDII-CZUORRHYSA-N 0 1 255.365 3.669 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cnc(C)s1 ZINC000037505463 328806118 /nfs/dbraw/zinc/80/61/18/328806118.db2.gz COMLSIHVBOXVCM-NSHDSACASA-N 0 1 276.405 3.619 20 0 CHADMN Cc1nc2cc(N[C@@H](C)C3CCCC3)ccc2n1C ZINC000526983958 328817854 /nfs/dbraw/zinc/81/78/54/328817854.db2.gz JTGNEVXWLSGOIL-NSHDSACASA-N 0 1 257.381 3.872 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccc(F)cc1)c1cc2ccccc2o1 ZINC000563984586 328842389 /nfs/dbraw/zinc/84/23/89/328842389.db2.gz IOUKNDYUJNXZTG-MLGOLLRUSA-N 0 1 299.345 3.956 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(C)(F)F ZINC000389458910 328847097 /nfs/dbraw/zinc/84/70/97/328847097.db2.gz DBZRNWBDDCPOLI-DJLDLDEBSA-N 0 1 259.262 3.741 20 0 CHADMN CCC[C@@H](NCc1ccnc(SC)c1)c1ccccn1 ZINC000357876809 328878013 /nfs/dbraw/zinc/87/80/13/328878013.db2.gz XIAZMMRALQXXKJ-CQSZACIVSA-N 0 1 287.432 3.830 20 0 CHADMN Cc1ccsc1[C@@H](CO)N[C@H](C)c1ccsc1 ZINC000358378386 328882901 /nfs/dbraw/zinc/88/29/01/328882901.db2.gz KAKACFZTWPPSLW-ZYHUDNBSSA-N 0 1 267.419 3.502 20 0 CHADMN Cc1ccsc1[C@H](CO)N[C@@H](C)c1cccc(F)c1 ZINC000358385054 328883473 /nfs/dbraw/zinc/88/34/73/328883473.db2.gz QQZUKCCRXXYODP-FZMZJTMJSA-N 0 1 279.380 3.580 20 0 CHADMN c1csc(C2(NCc3ccccc3)CCCC2)n1 ZINC000116374157 328936282 /nfs/dbraw/zinc/93/62/82/328936282.db2.gz WTPSHIKQEZDAQA-UHFFFAOYSA-N 0 1 258.390 3.702 20 0 CHADMN CCCCc1nc(CN[C@@]2(C)CCO[C@@H]2C2CC2)cs1 ZINC000374632684 328995911 /nfs/dbraw/zinc/99/59/11/328995911.db2.gz SHZZJXGITBIDMG-CVEARBPZSA-N 0 1 294.464 3.533 20 0 CHADMN c1csc(-c2cc(CN3CCC[C@@H]3C3CC3)no2)c1 ZINC000377546420 329018298 /nfs/dbraw/zinc/01/82/98/329018298.db2.gz UVTCRVHGDKHJSY-CYBMUJFWSA-N 0 1 274.389 3.778 20 0 CHADMN CSC1(CN[C@H](C)c2csc(C(C)C)n2)CC1 ZINC000193831813 329062068 /nfs/dbraw/zinc/06/20/68/329062068.db2.gz IQEMQMRQMXACCP-SNVBAGLBSA-N 0 1 270.467 3.813 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2ccc(Cl)cn2)CC1 ZINC000378484529 329052319 /nfs/dbraw/zinc/05/23/19/329052319.db2.gz VFMVYMFAIJOKRR-OAHLLOKOSA-N 0 1 282.815 3.516 20 0 CHADMN Cc1ccc([C@@H]2CCN([C@H](C)c3nc(C4CC4)no3)C2)cc1 ZINC000378650297 329058256 /nfs/dbraw/zinc/05/82/56/329058256.db2.gz LXEIYBSMECJCQA-CZUORRHYSA-N 0 1 297.402 3.806 20 0 CHADMN CCC[C@H](C)CC(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000522815278 329059245 /nfs/dbraw/zinc/05/92/45/329059245.db2.gz HAMJHNMQZPVLCW-LBPRGKRZSA-N 0 1 286.379 3.545 20 0 CHADMN C=Cn1cc(CN(C)[C@H](C)c2cc3ccccc3o2)cn1 ZINC000193667625 329060586 /nfs/dbraw/zinc/06/05/86/329060586.db2.gz KSJRGABRKHFWSL-CYBMUJFWSA-N 0 1 281.359 3.923 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cc(C)c(C(=O)[O-])o1 ZINC000583699033 329069515 /nfs/dbraw/zinc/06/95/15/329069515.db2.gz YUEYVUQTLQXRIL-SMDDNHRTSA-N 0 1 279.380 3.687 20 0 CHADMN Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2nccn2C(C)C)cc1 ZINC000172077603 329080898 /nfs/dbraw/zinc/08/08/98/329080898.db2.gz VLFCKPCHCVBSHX-GOSISDBHSA-N 0 1 297.446 3.980 20 0 CHADMN C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)c1ccncc1 ZINC000020121127 329086946 /nfs/dbraw/zinc/08/69/46/329086946.db2.gz JTUYBCHNCLXECX-TYNCELHUSA-N 0 1 256.349 3.649 20 0 CHADMN Cc1ccccc1[C@H](C)[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC000582551502 329106286 /nfs/dbraw/zinc/10/62/86/329106286.db2.gz ITLWRQBVYAGTCQ-LBPRGKRZSA-N 0 1 289.400 3.948 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC1CCCCC1 ZINC000582617060 329118509 /nfs/dbraw/zinc/11/85/09/329118509.db2.gz LUMFFZWXAGURPJ-SJORKVTESA-N 0 1 293.451 3.922 20 0 CHADMN C[C@@H]1C[C@@H](Nc2ccc(Cl)c(CN(C)C)c2)C[C@H](C)O1 ZINC000582706571 329132744 /nfs/dbraw/zinc/13/27/44/329132744.db2.gz HLDFTMHGLBBBEY-JJLQDPRZSA-N 0 1 296.842 3.770 20 0 CHADMN C[C@@H]1CSCCN1Cc1ccc(Cl)c2cccnc12 ZINC000172594252 329137502 /nfs/dbraw/zinc/13/75/02/329137502.db2.gz VPAMKXLJNWZXCS-LLVKDONJSA-N 0 1 292.835 3.826 20 0 CHADMN Cc1c2ccccc2oc1CN[C@@H](C)c1ccncc1 ZINC000174100423 329154326 /nfs/dbraw/zinc/15/43/26/329154326.db2.gz FBPYTTVTOXULJF-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1CCC(C)(C)C1 ZINC000174257718 329155996 /nfs/dbraw/zinc/15/59/96/329155996.db2.gz GBWOPMXGPSPHDG-SNVBAGLBSA-N 0 1 277.393 3.591 20 0 CHADMN CC(C)c1nc(CN(C)[C@H](C)C2(C)CC2)cs1 ZINC000177230233 329182194 /nfs/dbraw/zinc/18/21/94/329182194.db2.gz IVJJTCUGWZEOHK-LLVKDONJSA-N 0 1 252.427 3.887 20 0 CHADMN COc1ncccc1CN(C)[C@@H](C)c1ccc(C)cc1 ZINC000176457014 329175710 /nfs/dbraw/zinc/17/57/10/329175710.db2.gz UIOQGQOFEHMLKM-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN CCc1c(NC(=O)CCC2CCC2)[nH]nc1-c1ccncc1 ZINC000176450578 329175828 /nfs/dbraw/zinc/17/58/28/329175828.db2.gz VWYSDSOALNRNPV-UHFFFAOYSA-N 0 1 298.390 3.553 20 0 CHADMN CCc1ccc([C@H]2CCCCCN2Cc2cncn2C)o1 ZINC000177123379 329181228 /nfs/dbraw/zinc/18/12/28/329181228.db2.gz IUCYQGVMLITLTO-MRXNPFEDSA-N 0 1 287.407 3.693 20 0 CHADMN Cc1ncc(CN(C)[C@H]2CCc3ccc(F)cc32)s1 ZINC000177688149 329189225 /nfs/dbraw/zinc/18/92/25/329189225.db2.gz VIPPJBUPZZBQBA-HNNXBMFYSA-N 0 1 276.380 3.710 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000177885362 329193887 /nfs/dbraw/zinc/19/38/87/329193887.db2.gz UVPMKDOHXFRBHX-WDEREUQCSA-N 0 1 291.782 3.620 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccoc1)CCCO2 ZINC000178475728 329197610 /nfs/dbraw/zinc/19/76/10/329197610.db2.gz WZVIHWFLKQLPCX-HNNXBMFYSA-N 0 1 257.333 3.592 20 0 CHADMN CSC[C@H]1CCC[N@H+]1Cc1ccc(Cl)s1 ZINC000178566996 329200691 /nfs/dbraw/zinc/20/06/91/329200691.db2.gz BYHFGKCQCOKRKG-SECBINFHSA-N 0 1 261.843 3.729 20 0 CHADMN c1cn2cc(CN[C@@H](c3ccccc3)C3CC3)nc2s1 ZINC000179106150 329205546 /nfs/dbraw/zinc/20/55/46/329205546.db2.gz CIRFDWJPDXTEIJ-HNNXBMFYSA-N 0 1 283.400 3.637 20 0 CHADMN Cc1cnc(CN2CCC(c3ccccc3)CC2)s1 ZINC000180416288 329216441 /nfs/dbraw/zinc/21/64/41/329216441.db2.gz XERAOWRHXSAOSQ-UHFFFAOYSA-N 0 1 272.417 3.831 20 0 CHADMN CO[C@@H]1CCCN(Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180422610 329216447 /nfs/dbraw/zinc/21/64/47/329216447.db2.gz AFXPIAGRBSJBSC-OAHLLOKOSA-N 0 1 287.359 3.683 20 0 CHADMN CCS[C@H]1CC[C@@H](N(C)Cc2ncc(C)s2)C1 ZINC000180523562 329220277 /nfs/dbraw/zinc/22/02/77/329220277.db2.gz IJLLSQVJLUVHAE-NEPJUHHUSA-N 0 1 270.467 3.558 20 0 CHADMN Clc1cccc2c1OCCC[C@@H]2NCc1cncs1 ZINC000180992945 329224690 /nfs/dbraw/zinc/22/46/90/329224690.db2.gz SUQFWPCMVBTAEA-ZDUSSCGKSA-N 0 1 294.807 3.800 20 0 CHADMN C[C@H]1CCC[C@H](C)N(Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000181377427 329232284 /nfs/dbraw/zinc/23/22/84/329232284.db2.gz PFOIGBJKPWKRDI-STQMWFEESA-N 0 1 288.439 3.501 20 0 CHADMN CC1(C)CCCN(Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181380192 329232332 /nfs/dbraw/zinc/23/23/32/329232332.db2.gz ATLVIACRNOJAFX-UHFFFAOYSA-N 0 1 288.439 3.503 20 0 CHADMN CCc1nc(C)c([C@@H](C)NCc2cncc(C)c2)s1 ZINC000181829190 329237730 /nfs/dbraw/zinc/23/77/30/329237730.db2.gz XCCFJKNREJNZGD-LLVKDONJSA-N 0 1 275.421 3.568 20 0 CHADMN COc1ccccc1CCC[N@@H+](Cc1ccccn1)C1CC1 ZINC000182785229 329244521 /nfs/dbraw/zinc/24/45/21/329244521.db2.gz SSDZESISSYQLEZ-UHFFFAOYSA-N 0 1 296.414 3.687 20 0 CHADMN C[C@H](CCc1ccco1)NCc1ncc(Cl)s1 ZINC000225299991 329248293 /nfs/dbraw/zinc/24/82/93/329248293.db2.gz PTPXAGWVMNLTKG-SECBINFHSA-N 0 1 270.785 3.500 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Cl)cn2)CC1(C)C ZINC000582815743 329248854 /nfs/dbraw/zinc/24/88/54/329248854.db2.gz DMHATGHYSKXBQK-NSHDSACASA-N 0 1 252.789 3.603 20 0 CHADMN C[C@@H](c1cnn(C)c1)N(C)Cc1ccc(C(F)F)cc1 ZINC000183994417 329252068 /nfs/dbraw/zinc/25/20/68/329252068.db2.gz RVFRBWSSOOJZGS-NSHDSACASA-N 0 1 279.334 3.551 20 0 CHADMN COc1ccnc(NCc2ccc(C3CC3)cc2)c1 ZINC000459447688 329254537 /nfs/dbraw/zinc/25/45/37/329254537.db2.gz GWQPPQLNTGWEIP-UHFFFAOYSA-N 0 1 254.333 3.580 20 0 CHADMN CC(C)OCCCN[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184847809 329263409 /nfs/dbraw/zinc/26/34/09/329263409.db2.gz PSTJYMCSAOHCAE-AWEZNQCLSA-N 0 1 288.391 3.807 20 0 CHADMN C[C@H]1C[C@H](c2cccnc2)N(Cc2cccc(F)c2)C1 ZINC000184896820 329263855 /nfs/dbraw/zinc/26/38/55/329263855.db2.gz NRRSVMKLPYWZHF-SUMWQHHRSA-N 0 1 270.351 3.804 20 0 CHADMN c1csc(CNCc2nc3ccccc3n2C2CC2)c1 ZINC000184777265 329264225 /nfs/dbraw/zinc/26/42/25/329264225.db2.gz BMBMVHFSSDATDQ-UHFFFAOYSA-N 0 1 283.400 3.723 20 0 CHADMN C[C@H](NCc1ccno1)c1cc2ccccc2s1 ZINC000230638832 329264381 /nfs/dbraw/zinc/26/43/81/329264381.db2.gz OZPSWYRMUKGZCT-JTQLQIEISA-N 0 1 258.346 3.740 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000583148101 329322535 /nfs/dbraw/zinc/32/25/35/329322535.db2.gz VUUUWJYUWPDGGN-WDEREUQCSA-N 0 1 291.372 3.937 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)c2oc3ccccc3c2C)n[nH]1 ZINC000392359785 329326819 /nfs/dbraw/zinc/32/68/19/329326819.db2.gz WTHAVIUJKJVNID-MNOVXSKESA-N 0 1 284.363 3.580 20 0 CHADMN O=C(CC[N@H+]1Cc2ccccc2C2(CC2)C1)c1ccccc1 ZINC000186173017 329339061 /nfs/dbraw/zinc/33/90/61/329339061.db2.gz CNGBREAIPSGZJA-UHFFFAOYSA-N 0 1 291.394 3.807 20 0 CHADMN O=C(CCN1Cc2ccccc2C2(CC2)C1)c1ccccc1 ZINC000186173017 329339062 /nfs/dbraw/zinc/33/90/62/329339062.db2.gz CNGBREAIPSGZJA-UHFFFAOYSA-N 0 1 291.394 3.807 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H](C)c2ccccc2C(F)(F)F)n[nH]1 ZINC000392451015 329341416 /nfs/dbraw/zinc/34/14/16/329341416.db2.gz GSQICSXBDQDBHC-DTWKUNHWSA-N 0 1 298.312 3.544 20 0 CHADMN COc1ccc2nc(CN3CCC[C@@H](C)C3)sc2c1 ZINC000186559832 329345289 /nfs/dbraw/zinc/34/52/89/329345289.db2.gz PEKDTWQFVUARFH-LLVKDONJSA-N 0 1 276.405 3.537 20 0 CHADMN COc1ccc2nc(CN3CCC[C@H](C)C3)sc2c1 ZINC000186559848 329345446 /nfs/dbraw/zinc/34/54/46/329345446.db2.gz PEKDTWQFVUARFH-NSHDSACASA-N 0 1 276.405 3.537 20 0 CHADMN CCC(CC)CN1CCSC[C@@H]1c1nccs1 ZINC000186633875 329346778 /nfs/dbraw/zinc/34/67/78/329346778.db2.gz MPLYTZQJFKWSIC-GFCCVEGCSA-N 0 1 270.467 3.669 20 0 CHADMN C[C@@H](CO)N(Cc1c(F)cccc1Cl)C1CCCC1 ZINC000530359132 329355785 /nfs/dbraw/zinc/35/57/85/329355785.db2.gz NBAFPVFDBHNTDM-NSHDSACASA-N 0 1 285.790 3.605 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(C)nc2C)c(C)o1 ZINC000187497098 329358297 /nfs/dbraw/zinc/35/82/97/329358297.db2.gz UZHPROFEKLHSBV-CYBMUJFWSA-N 0 1 258.365 3.759 20 0 CHADMN CCCCc1noc([C@@H](C)N[C@H](CCOC)C(C)(C)C)n1 ZINC000508996232 332854852 /nfs/dbraw/zinc/85/48/52/332854852.db2.gz FLJFCGUYCFOGHW-CHWSQXEVSA-N 0 1 297.443 3.514 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CCC[C@@H](C)CC1 ZINC000063308471 329378344 /nfs/dbraw/zinc/37/83/44/329378344.db2.gz ADQHUHKOFRZOJQ-CQSZACIVSA-N 0 1 288.435 3.618 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]2c2ccccc2)cn1 ZINC000189290527 329379364 /nfs/dbraw/zinc/37/93/64/329379364.db2.gz RZEMRBHQRLXLOQ-OAHLLOKOSA-N 0 1 256.324 3.558 20 0 CHADMN CCOC[C@@H](N[C@@H](C)c1csc(C(C)C)n1)C(C)C ZINC000189350922 329380171 /nfs/dbraw/zinc/38/01/71/329380171.db2.gz OFSHFRGDABYHGY-QWHCGFSZSA-N 0 1 284.469 3.978 20 0 CHADMN FC(F)C[C@H]1COCCN1CCCC1CCCCC1 ZINC000583230689 329384877 /nfs/dbraw/zinc/38/48/77/329384877.db2.gz CSZZILYXCWTYRG-AWEZNQCLSA-N 0 1 275.383 3.703 20 0 CHADMN C[C@@H]1C[C@@H](c2cccnc2)N(Cc2cnn(C(C)(C)C)c2)C1 ZINC000190002024 329391817 /nfs/dbraw/zinc/39/18/17/329391817.db2.gz BPPVRGQYBLTZMD-PBHICJAKSA-N 0 1 298.434 3.616 20 0 CHADMN Cc1nnc([C@@H](C)N2CCCC3(CCCCC3)CC2)o1 ZINC000190322681 329394782 /nfs/dbraw/zinc/39/47/82/329394782.db2.gz MAGXCEJNRQZIBL-CYBMUJFWSA-N 0 1 277.412 3.875 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)C[C@H]1CC[C@@H](C)O1 ZINC000190399465 329398128 /nfs/dbraw/zinc/39/81/28/329398128.db2.gz POMXPXRUCUNPRD-NTZNESFSSA-N 0 1 269.335 3.525 20 0 CHADMN C[C@H](NC[C@H]1CC[C@@H](C)O1)c1nc(C(C)(C)C)cs1 ZINC000191097630 329407668 /nfs/dbraw/zinc/40/76/68/329407668.db2.gz SNSVPBGMTMWDER-GRYCIOLGSA-N 0 1 282.453 3.659 20 0 CHADMN COc1ccccc1CN[C@@H]1CCCc2c(O)cccc21 ZINC000191657165 329416326 /nfs/dbraw/zinc/41/63/26/329416326.db2.gz VQCLKESOPAHUOZ-MRXNPFEDSA-N 0 1 283.371 3.568 20 0 CHADMN CC[C@H](NC/C=C\c1ccccc1)c1nccs1 ZINC000211433134 329542929 /nfs/dbraw/zinc/54/29/29/329542929.db2.gz CTFHGPSNNUASLX-PIZKADEWSA-N 0 1 258.390 3.897 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(F)cc2F)cc1F ZINC000035016868 329544715 /nfs/dbraw/zinc/54/47/15/329544715.db2.gz XPQVLQHWMVGBFT-JTQLQIEISA-N 0 1 295.304 3.963 20 0 CHADMN C[C@@H](NCc1cnc(C2CCC2)s1)c1cccnc1 ZINC000130118502 329622612 /nfs/dbraw/zinc/62/26/12/329622612.db2.gz BMZXWLXSQIOYCP-LLVKDONJSA-N 0 1 273.405 3.656 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@H](C)c2csc(C)n2)C12CCCC2 ZINC000359978240 329644477 /nfs/dbraw/zinc/64/44/77/329644477.db2.gz YXSSQGFJLYDDAB-BYCMXARLSA-N 0 1 294.464 3.840 20 0 CHADMN COc1ccc(Cl)cc1CNCc1ccsc1 ZINC000057993274 329678442 /nfs/dbraw/zinc/67/84/42/329678442.db2.gz JOJMZIMEAYIBJN-UHFFFAOYSA-N 0 1 267.781 3.700 20 0 CHADMN COc1ccncc1CN[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419335711 329717683 /nfs/dbraw/zinc/71/76/83/329717683.db2.gz JVMUADCZYRJVDE-ZDUSSCGKSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1oncc1CN[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419345555 329719134 /nfs/dbraw/zinc/71/91/34/329719134.db2.gz UANOYGFZMIRIDS-NSHDSACASA-N 0 1 256.349 3.711 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@H](C)c2csc(CC)n2)C12CCC2 ZINC000245870491 329756714 /nfs/dbraw/zinc/75/67/14/329756714.db2.gz JIGDHNLJUKIYKC-KWCYVHTRSA-N 0 1 294.464 3.704 20 0 CHADMN CC[C@@H]1CCCC[C@H]1c1noc(C23CCCN2CCC3)n1 ZINC000420504189 329771225 /nfs/dbraw/zinc/77/12/25/329771225.db2.gz OAYWFSQXGMJKLO-ZIAGYGMSSA-N 0 1 289.423 3.838 20 0 CHADMN Fc1cncc(CN[C@H](CC(F)F)c2ccccc2)c1 ZINC000420990165 329795832 /nfs/dbraw/zinc/79/58/32/329795832.db2.gz DSOUZKBSYOSVPN-CQSZACIVSA-N 0 1 280.293 3.707 20 0 CHADMN Cc1ncsc1CN[C@@H](CC(F)F)c1ccccc1 ZINC000420992834 329796312 /nfs/dbraw/zinc/79/63/12/329796312.db2.gz LGRDALGUYXWOPF-LBPRGKRZSA-N 0 1 282.359 3.938 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(F)cc2F)cc(C)n1 ZINC000421192052 329807067 /nfs/dbraw/zinc/80/70/67/329807067.db2.gz ABUKCXMXZDYECT-LBPRGKRZSA-N 0 1 276.330 3.827 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cccc(C3CC3)c1)CO2 ZINC000421349976 329815181 /nfs/dbraw/zinc/81/51/81/329815181.db2.gz YEWYNBGKUUGXAB-KRWDZBQOSA-N 0 1 283.346 3.926 20 0 CHADMN Cc1c(Cl)c(CN[C@@H](C)[C@H](C)c2ccccc2)nn1C ZINC000421367757 329823856 /nfs/dbraw/zinc/82/38/56/329823856.db2.gz UFZVPXWVBQYQPI-RYUDHWBXSA-N 0 1 291.826 3.664 20 0 CHADMN Oc1cccc(CNCc2cc(Br)cs2)c1 ZINC000069710418 329854491 /nfs/dbraw/zinc/85/44/91/329854491.db2.gz WAMBJKJXEBZDIS-UHFFFAOYSA-N 0 1 298.205 3.506 20 0 CHADMN CCCCO[C@@H]1C[C@H](N[C@H](C)c2nccs2)C1(C)C ZINC000246497440 329865287 /nfs/dbraw/zinc/86/52/87/329865287.db2.gz SKDKZGIHUPZVQD-FRRDWIJNSA-N 0 1 282.453 3.778 20 0 CHADMN C/C(=C\c1ccccc1)CN[C@H](C)c1ccncc1F ZINC000509949623 332886566 /nfs/dbraw/zinc/88/65/66/332886566.db2.gz UMPHNGGAVFZKQH-JWAFFJSPSA-N 0 1 270.351 3.975 20 0 CHADMN Cc1cccc2c1CC[C@H]2NCc1ccc2c(n1)CCC2 ZINC000571978078 329934645 /nfs/dbraw/zinc/93/46/45/329934645.db2.gz LYQHMAFUQYZTDY-LJQANCHMSA-N 0 1 278.399 3.656 20 0 CHADMN CN(Cc1ccc2c(c1)CCO2)Cc1cc(F)cc(F)c1 ZINC000432794962 330036264 /nfs/dbraw/zinc/03/62/64/330036264.db2.gz DCXYZQVFLJXMQM-UHFFFAOYSA-N 0 1 289.325 3.532 20 0 CHADMN C[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(-c2ccccc2Cl)o1 ZINC000263376843 330053339 /nfs/dbraw/zinc/05/33/39/330053339.db2.gz AUJJCJDUDNGMPQ-SNVBAGLBSA-N 0 1 293.750 3.505 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccccc2Cl)o1 ZINC000263376843 330053341 /nfs/dbraw/zinc/05/33/41/330053341.db2.gz AUJJCJDUDNGMPQ-SNVBAGLBSA-N 0 1 293.750 3.505 20 0 CHADMN Cc1ccccc1-c1cccc(C[N@H+](C)[C@@H](C)C(=O)[O-])c1 ZINC000263387060 330053588 /nfs/dbraw/zinc/05/35/88/330053588.db2.gz DFUYIXMNWHGYBJ-AWEZNQCLSA-N 0 1 283.371 3.567 20 0 CHADMN C[N@@H+](Cc1cccc(C(=O)[O-])c1)CC1(c2ccccc2)CC1 ZINC000263394450 330053876 /nfs/dbraw/zinc/05/38/76/330053876.db2.gz GEDDJWBFIIRSCH-UHFFFAOYSA-N 0 1 295.382 3.548 20 0 CHADMN Cc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)C(=O)[O-])s2)cc1 ZINC000263427594 330055212 /nfs/dbraw/zinc/05/52/12/330055212.db2.gz RBLAOMGXBUHLEH-LBPRGKRZSA-N 0 1 289.400 3.628 20 0 CHADMN CC(C)C[C@H](C[N@H+]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000263442354 330056020 /nfs/dbraw/zinc/05/60/20/330056020.db2.gz WXRVHGHUQWBYGZ-IAGOWNOFSA-N 0 1 289.419 3.613 20 0 CHADMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](CCC1CCCCCC1)C2 ZINC000263457818 330056732 /nfs/dbraw/zinc/05/67/32/330056732.db2.gz BDWRKIUWANPBGR-DOTOQJQBSA-N 0 1 279.424 3.534 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000263565596 330059528 /nfs/dbraw/zinc/05/95/28/330059528.db2.gz FOUZAXWBCZXBEG-INIZCTEOSA-N 0 1 299.345 3.513 20 0 CHADMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccccc1Oc1ccccc1 ZINC000263571039 330059576 /nfs/dbraw/zinc/05/95/76/330059576.db2.gz IWTMESQNMIQUGU-INIZCTEOSA-N 0 1 297.354 3.528 20 0 CHADMN C[C@H](NCCOc1ccc(F)cc1)c1ccncc1Cl ZINC000421826109 330083823 /nfs/dbraw/zinc/08/38/23/330083823.db2.gz RANGADVMTOVCEN-NSHDSACASA-N 0 1 294.757 3.604 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)COC2)c1ccncc1Cl ZINC000421830656 330084751 /nfs/dbraw/zinc/08/47/51/330084751.db2.gz BWGKILMGBQGBAT-LLVKDONJSA-N 0 1 288.778 3.616 20 0 CHADMN Cc1cccc(CN[C@H](C)c2ccncc2Cl)c1 ZINC000421821784 330086820 /nfs/dbraw/zinc/08/68/20/330086820.db2.gz UCURTUJSWGVDSH-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1cc([C@@H](C)NCc2cc(C)nc(C)c2)oc1C ZINC000421851789 330087698 /nfs/dbraw/zinc/08/76/98/330087698.db2.gz GKWIGIMYOSJTOL-CYBMUJFWSA-N 0 1 258.365 3.759 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(C)nc(C)c2)c(F)c1 ZINC000421888577 330096678 /nfs/dbraw/zinc/09/66/78/330096678.db2.gz TYFFYVHRWARBPF-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC000580456464 330140970 /nfs/dbraw/zinc/14/09/70/330140970.db2.gz COMYTNQLQQXORI-SFHVURJKSA-N 0 1 287.403 3.641 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000422639364 330150621 /nfs/dbraw/zinc/15/06/21/330150621.db2.gz WQBKDZCWEXTPKT-KKUMJFAQSA-N 0 1 269.429 3.778 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000422639363 330150623 /nfs/dbraw/zinc/15/06/23/330150623.db2.gz WQBKDZCWEXTPKT-ILXRZTDVSA-N 0 1 269.429 3.778 20 0 CHADMN Cc1ccnc([C@@H](C)NCc2cccc3c2CCCN3)c1 ZINC000423416629 330197695 /nfs/dbraw/zinc/19/76/95/330197695.db2.gz REIJBJCLLGGVLL-CQSZACIVSA-N 0 1 281.403 3.599 20 0 CHADMN C[C@@H](N[C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccccn1 ZINC000423444893 330201992 /nfs/dbraw/zinc/20/19/92/330201992.db2.gz RNVBFIJGIXPRLW-MLGOLLRUSA-N 0 1 297.402 3.617 20 0 CHADMN Cc1cc(N)cc(CN[C@H](c2ncc[nH]2)C2CCCCC2)c1 ZINC000423486100 330206838 /nfs/dbraw/zinc/20/68/38/330206838.db2.gz VXRNXAAPPNEGQC-KRWDZBQOSA-N 0 1 298.434 3.712 20 0 CHADMN Cc1cc(C)c(CNCc2ccccc2OC(C)C)cn1 ZINC000397019973 330236081 /nfs/dbraw/zinc/23/60/81/330236081.db2.gz HMFDIRLYKVZUMG-UHFFFAOYSA-N 0 1 284.403 3.775 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1cnc(C)cc1C ZINC000397018184 330236190 /nfs/dbraw/zinc/23/61/90/330236190.db2.gz GZIHHKMBSBNAEP-OAHLLOKOSA-N 0 1 284.403 3.948 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2F)N(CC2(F)CC2)C1 ZINC000527219732 330237610 /nfs/dbraw/zinc/23/76/10/330237610.db2.gz AILQUXVQGOWXQI-BXUZGUMPSA-N 0 1 251.320 3.711 20 0 CHADMN COc1ccc(C)cc1CNCc1cccc(C)c1 ZINC000035220875 330245360 /nfs/dbraw/zinc/24/53/60/330245360.db2.gz YANXIPGBGDJTTC-UHFFFAOYSA-N 0 1 255.361 3.602 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cnc(C2CC2)s1 ZINC000527529384 330258235 /nfs/dbraw/zinc/25/82/35/330258235.db2.gz FXGNUXXENWAOMD-KCJUWKMLSA-N 0 1 290.354 3.793 20 0 CHADMN Cc1cc(CN(Cc2ccc(F)cc2)C2CC2)ccn1 ZINC000527534452 330263378 /nfs/dbraw/zinc/26/33/78/330263378.db2.gz NZCGKLGAMGESQR-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccnc(C)c1 ZINC000527534726 330263421 /nfs/dbraw/zinc/26/34/21/330263421.db2.gz PRCUXYHALVCSFY-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN CCOc1cc(CNCc2cccs2)c(F)cc1OC ZINC000527631765 330267015 /nfs/dbraw/zinc/26/70/15/330267015.db2.gz NIIMQNRWQLGZBY-UHFFFAOYSA-N 0 1 295.379 3.584 20 0 CHADMN CCC(F)(F)C(C)(C)CNc1cc(OC)ccn1 ZINC000527681639 330271125 /nfs/dbraw/zinc/27/11/25/330271125.db2.gz BCSLPNOALDVSJL-UHFFFAOYSA-N 0 1 258.312 3.574 20 0 CHADMN CC(C)[C@H](N[C@@H](C)[C@@H]1C[C@H]1C1CC1)c1nc(C2CC2)no1 ZINC000527660049 330273581 /nfs/dbraw/zinc/27/35/81/330273581.db2.gz IKKMCHIYCFIMLV-HJPIBITLSA-N 0 1 289.423 3.668 20 0 CHADMN CO[C@](C)(CNCc1c(F)ccc(F)c1Cl)C1CC1 ZINC000527710225 330275885 /nfs/dbraw/zinc/27/58/85/330275885.db2.gz JSPLJOXTYYBKSW-CQSZACIVSA-N 0 1 289.753 3.523 20 0 CHADMN Cc1noc(C)c1CNCc1ccccc1CC(C)C ZINC000527732263 330278410 /nfs/dbraw/zinc/27/84/10/330278410.db2.gz AOXNFTZBQNDLDP-UHFFFAOYSA-N 0 1 272.392 3.780 20 0 CHADMN Cn1cccc1CNC(C)(C)c1nc2ccccc2s1 ZINC000527746851 330280599 /nfs/dbraw/zinc/28/05/99/330280599.db2.gz XQCGKQUWCZAKIY-UHFFFAOYSA-N 0 1 285.416 3.660 20 0 CHADMN Cc1cnc(CN[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)s1 ZINC000527747850 330280607 /nfs/dbraw/zinc/28/06/07/330280607.db2.gz CFNJOHMNTQEBKD-NWANDNLSSA-N 0 1 290.819 3.533 20 0 CHADMN Cc1nc(CN[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cs1 ZINC000527752181 330281119 /nfs/dbraw/zinc/28/11/19/330281119.db2.gz ZHVBLAGFQAWMOK-RRFJBIMHSA-N 0 1 290.819 3.533 20 0 CHADMN c1c2cccnc2oc1CN[C@@H](c1ccccn1)C1CCC1 ZINC000527774603 330282438 /nfs/dbraw/zinc/28/24/38/330282438.db2.gz XJZLSHKRTOAMIQ-QGZVFWFLSA-N 0 1 293.370 3.854 20 0 CHADMN Cc1nocc1CN[C@@H](c1cccc(C)c1)C(C)C ZINC000527811398 330284858 /nfs/dbraw/zinc/28/48/58/330284858.db2.gz SCYODHFXJBOOOX-MRXNPFEDSA-N 0 1 258.365 3.778 20 0 CHADMN Cc1nc(CN[C@@H](c2cccc(C)c2)C(C)C)[nH]c1C ZINC000527810846 330284868 /nfs/dbraw/zinc/28/48/68/330284868.db2.gz PWKFEQVQJLXTQQ-QGZVFWFLSA-N 0 1 271.408 3.822 20 0 CHADMN CC[C@@H](NCc1conc1C)c1cc(C)ccc1C ZINC000527821375 330286410 /nfs/dbraw/zinc/28/64/10/330286410.db2.gz NLANRSLZJFTNLX-MRXNPFEDSA-N 0 1 258.365 3.841 20 0 CHADMN CCc1ccc([C@H](CC(C)C)NCc2cc[nH]n2)cc1 ZINC000527857999 330289060 /nfs/dbraw/zinc/28/90/60/330289060.db2.gz GQCRKWBBFZAREH-KRWDZBQOSA-N 0 1 271.408 3.849 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccn(C)n1)c1cc(C)ccc1C ZINC000527910909 330290728 /nfs/dbraw/zinc/29/07/28/330290728.db2.gz WGCNYSMVRQGOBO-HOCLYGCPSA-N 0 1 271.408 3.839 20 0 CHADMN Cc1c2ccccc2oc1CNCc1cncn1C(C)C ZINC000424148620 330295204 /nfs/dbraw/zinc/29/52/04/330295204.db2.gz UQRJGTKYIGPKON-UHFFFAOYSA-N 0 1 283.375 3.808 20 0 CHADMN Fc1ccc([C@H](NC[C@@H]2CC[C@H]3C[C@H]3C2)c2ncc[nH]2)cc1 ZINC000527924358 330296281 /nfs/dbraw/zinc/29/62/81/330296281.db2.gz GULAHTLSHAYEQU-JWDQPFGJSA-N 0 1 299.393 3.664 20 0 CHADMN c1c[nH]c([C@@H](NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c2ccccc2)n1 ZINC000527932804 330297483 /nfs/dbraw/zinc/29/74/83/330297483.db2.gz YWIVUORPMPLQLI-SIXLDLHFSA-N 0 1 281.403 3.525 20 0 CHADMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1nccc2ccccc21 ZINC000527985575 330298703 /nfs/dbraw/zinc/29/87/03/330298703.db2.gz JALMFESJRHKSIQ-UHFFFAOYSA-N 0 1 294.402 3.892 20 0 CHADMN CC(C)CO[C@@H]1C[C@@H](N[C@@H](C)c2ncccc2F)C1(C)C ZINC000528036261 330302786 /nfs/dbraw/zinc/30/27/86/330302786.db2.gz QNNWSZRXVMBXOS-NWANDNLSSA-N 0 1 294.414 3.711 20 0 CHADMN C[C@@H]1CCC[C@H]([NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000328080953 330311824 /nfs/dbraw/zinc/31/18/24/330311824.db2.gz BMKMHDGGZYMBEB-PWSUYJOCSA-N 0 1 253.773 3.714 20 0 CHADMN CCC(CC)[C@@H](CNCc1cccc([O-])c1Cl)[NH+](C)C ZINC000328081889 330311993 /nfs/dbraw/zinc/31/19/93/330311993.db2.gz AOLCVSNCTCGLEL-CQSZACIVSA-N 0 1 298.858 3.502 20 0 CHADMN CCC(CC)[C@H](CNCc1cccc([O-])c1Cl)[NH+](C)C ZINC000328081886 330312005 /nfs/dbraw/zinc/31/20/05/330312005.db2.gz AOLCVSNCTCGLEL-AWEZNQCLSA-N 0 1 298.858 3.502 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1cc(CO)ccc1F ZINC000528337232 330319532 /nfs/dbraw/zinc/31/95/32/330319532.db2.gz JFRLPCRYPNRPTQ-LBPRGKRZSA-N 0 1 291.341 3.650 20 0 CHADMN CN(Cc1ncccc1Cl)CC1CCCCC1 ZINC000528340566 330319616 /nfs/dbraw/zinc/31/96/16/330319616.db2.gz SAYQLWJHOFUORG-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN CC[C@H]1CCCN(Cc2cccnc2C(F)(F)F)C1 ZINC000528345063 330321131 /nfs/dbraw/zinc/32/11/31/330321131.db2.gz NRYBUVALVPKGCM-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN CC[C@H]1CCCCN1Cc1cccnc1C(F)(F)F ZINC000528345852 330321137 /nfs/dbraw/zinc/32/11/37/330321137.db2.gz UPFGAXCFEIVLPT-LBPRGKRZSA-N 0 1 272.314 3.865 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2cccnc2C(F)(F)F)C1 ZINC000528346325 330321347 /nfs/dbraw/zinc/32/13/47/330321347.db2.gz YVULMGUDAJSRGC-GHMZBOCLSA-N 0 1 272.314 3.578 20 0 CHADMN CCC(C)(C)CC[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000424262613 330332706 /nfs/dbraw/zinc/33/27/06/330332706.db2.gz QQBOFHJAQOVCNE-CYBMUJFWSA-N 0 1 255.402 3.532 20 0 CHADMN CCc1nnc(CN(CCC(C)C)CCC(C)C)o1 ZINC000045003875 330335662 /nfs/dbraw/zinc/33/56/62/330335662.db2.gz NNVYGGGAUTXAQU-UHFFFAOYSA-N 0 1 267.417 3.526 20 0 CHADMN Fc1ccc([C@@H](NC[C@@H]2C[C@H]2C2CCC2)c2ncc[nH]2)cc1 ZINC000424300851 330337493 /nfs/dbraw/zinc/33/74/93/330337493.db2.gz VAJWOMXOYHDJLV-BHYGNILZSA-N 0 1 299.393 3.664 20 0 CHADMN CC(C)CCOCCNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000045093834 330338375 /nfs/dbraw/zinc/33/83/75/330338375.db2.gz ITIKPIUFPWRLKH-ZFWWWQNUSA-N 0 1 265.397 3.555 20 0 CHADMN CO[C@H]1C[C@H]2C[C@H](Nc3cc4c(cn3)CCCC4)C[C@H]2C1 ZINC000424343759 330344453 /nfs/dbraw/zinc/34/44/53/330344453.db2.gz FWRRFLLABKIUKJ-GANOOXTDSA-N 0 1 286.419 3.576 20 0 CHADMN CC[C@H](N[C@H]1CCc2ccccc21)c1nccs1 ZINC000080257698 330345206 /nfs/dbraw/zinc/34/52/06/330345206.db2.gz UCORLHBQCJZJJG-KBPBESRZSA-N 0 1 258.390 3.871 20 0 CHADMN COc1ccc([C@H](C)NCc2cnccc2C)c(Cl)c1 ZINC000424359778 330346750 /nfs/dbraw/zinc/34/67/50/330346750.db2.gz YQDXFEKBNPBDFO-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CCC(CC)(CNc1cc[nH+]c2ccsc21)C(=O)[O-] ZINC000424379235 330348993 /nfs/dbraw/zinc/34/89/93/330348993.db2.gz VCHZCVJNDPUWBI-UHFFFAOYSA-N 0 1 278.377 3.599 20 0 CHADMN COCC1(NCc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000533122952 330349274 /nfs/dbraw/zinc/34/92/74/330349274.db2.gz RYGWAPRFTUOSBO-UHFFFAOYSA-N 0 1 293.716 3.627 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)s2)[C@@H]1C(=O)[O-] ZINC000424414418 330350592 /nfs/dbraw/zinc/35/05/92/330350592.db2.gz HMTILFHILFLEEV-RISCZKNCSA-N 0 1 295.448 3.731 20 0 CHADMN C[C@@H]1CCC[N@@H+](CCCC2CCCCC2)[C@H]1C(=O)[O-] ZINC000424424133 330351660 /nfs/dbraw/zinc/35/16/60/330351660.db2.gz WAJIHEUIQKRRAK-UKRRQHHQSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1nc(CN(C2CC2)C2CCCC2)nc2ccccc12 ZINC000107896288 330351710 /nfs/dbraw/zinc/35/17/10/330351710.db2.gz LEOQITMLIVMPBK-UHFFFAOYSA-N 0 1 281.403 3.845 20 0 CHADMN CCOc1ccc(OC)cc1NCc1ccc2nc[nH]c2c1 ZINC000533208734 330352968 /nfs/dbraw/zinc/35/29/68/330352968.db2.gz DNTDVULVYUBPHX-UHFFFAOYSA-N 0 1 297.358 3.582 20 0 CHADMN CC[C@@H](C)NC(=O)[C@@H](C)N(C)Cc1cccc2ccccc21 ZINC000533240326 330354425 /nfs/dbraw/zinc/35/44/25/330354425.db2.gz LXPPYGSSSNZMKO-HUUCEWRRSA-N 0 1 298.430 3.575 20 0 CHADMN C[C@@H](C(=O)Nc1cccc2ccccc21)N1C2CCC1CC2 ZINC000533237548 330354451 /nfs/dbraw/zinc/35/44/51/330354451.db2.gz PBXXCMBNNPLIHN-JEYLPNPQSA-N 0 1 294.398 3.794 20 0 CHADMN CC[N@@H+](CC(=O)Nc1ccc(C)c(C)c1)[C@@H](C)C(C)C ZINC000533247867 330355297 /nfs/dbraw/zinc/35/52/97/330355297.db2.gz PZPUGINMURFUBP-HNNXBMFYSA-N 0 1 276.424 3.608 20 0 CHADMN C[C@H](N(C)Cc1nnc(-c2ccccc2)o1)C(C)(C)C ZINC000533250157 330355319 /nfs/dbraw/zinc/35/53/19/330355319.db2.gz ZIIGJWJPWJZQJI-LBPRGKRZSA-N 0 1 273.380 3.603 20 0 CHADMN C[C@@H](N(C)Cc1nnc(-c2ccccc2)o1)C(C)(C)C ZINC000533250156 330355401 /nfs/dbraw/zinc/35/54/01/330355401.db2.gz ZIIGJWJPWJZQJI-GFCCVEGCSA-N 0 1 273.380 3.603 20 0 CHADMN Cc1cccc(-c2noc(CN(C)[C@H](C)C(C)(C)C)n2)c1 ZINC000533250351 330355421 /nfs/dbraw/zinc/35/54/21/330355421.db2.gz APUZJVZOENRHFV-CYBMUJFWSA-N 0 1 287.407 3.911 20 0 CHADMN C[C@H](N(C)Cc1ncc(C(C)(C)C)o1)C(C)(C)C ZINC000533250488 330355439 /nfs/dbraw/zinc/35/54/39/330355439.db2.gz OIBFPXCPNFCDFO-NSHDSACASA-N 0 1 252.402 3.839 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)[N@@H+](C)CCCC(=O)[O-] ZINC000083662792 330358690 /nfs/dbraw/zinc/35/86/90/330358690.db2.gz UOGLVNFAGSINHF-SECBINFHSA-N 0 1 290.190 3.851 20 0 CHADMN CCOC[C@@H](C)NCc1cc(Cl)ccc1Cl ZINC000083697990 330359076 /nfs/dbraw/zinc/35/90/76/330359076.db2.gz XXQWNWSFKFSZAC-SECBINFHSA-N 0 1 262.180 3.508 20 0 CHADMN COCC1(C)CCN([C@@H](C)c2cc(F)ccc2F)CC1 ZINC000536888102 330363205 /nfs/dbraw/zinc/36/32/05/330363205.db2.gz PBOMAQDCDWDGAM-LBPRGKRZSA-N 0 1 283.362 3.774 20 0 CHADMN Cc1csc(C(C)(C)NCCO[C@H]2CCCC[C@H]2C)n1 ZINC000118849495 330368228 /nfs/dbraw/zinc/36/82/28/330368228.db2.gz LOZLEXWPZZYWRO-OCCSQVGLSA-N 0 1 296.480 3.872 20 0 CHADMN C/C(=C/c1ccc(Cl)cc1)CNCc1cc(C)no1 ZINC000119082613 330370003 /nfs/dbraw/zinc/37/00/03/330370003.db2.gz OLMCAQDXISNLLV-XFFZJAGNSA-N 0 1 276.767 3.830 20 0 CHADMN CCc1nn(C)c(CC)c1CN(C)[C@@H](C)c1ccccc1 ZINC000119384978 330374289 /nfs/dbraw/zinc/37/42/89/330374289.db2.gz WFQVQTWJIINKBA-AWEZNQCLSA-N 0 1 285.435 3.738 20 0 CHADMN C[C@H]1CCCC[C@@H]1N(C)Cc1nc(C2CCCC2)no1 ZINC000119978056 330382683 /nfs/dbraw/zinc/38/26/83/330382683.db2.gz XSANKNCXGKIQFL-JSGCOSHPSA-N 0 1 277.412 3.738 20 0 CHADMN CC(C)CO[C@@H]1CCN([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000120198064 330386256 /nfs/dbraw/zinc/38/62/56/330386256.db2.gz WPNLRKWFYKSXLA-GXTWGEPZSA-N 0 1 283.362 3.773 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN(C)[C@@H]1CCSC1 ZINC000089936422 330389046 /nfs/dbraw/zinc/38/90/46/330389046.db2.gz VWCIUQLGKBUYDJ-LLVKDONJSA-N 0 1 294.445 3.649 20 0 CHADMN C[C@H]1CN(CC2CCCC2)C[C@H](c2ccsc2)O1 ZINC000120927850 330393202 /nfs/dbraw/zinc/39/32/02/330393202.db2.gz XIGQEFFBXNOZER-SWLSCSKDSA-N 0 1 265.422 3.700 20 0 CHADMN CCCCO[C@H]1C[C@H](N[C@@H](C)c2nccs2)C1(C)C ZINC000091733119 330402606 /nfs/dbraw/zinc/40/26/06/330402606.db2.gz SKDKZGIHUPZVQD-AVGNSLFASA-N 0 1 282.453 3.778 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000537881267 330459331 /nfs/dbraw/zinc/45/93/31/330459331.db2.gz JOHDVLWAWUJIKT-KBPBESRZSA-N 0 1 272.396 3.579 20 0 CHADMN CCOC1(CNCc2csc(C(C)(C)C)n2)CCCC1 ZINC000312354781 330462796 /nfs/dbraw/zinc/46/27/96/330462796.db2.gz UUYKFOVRXSTTQQ-UHFFFAOYSA-N 0 1 296.480 3.880 20 0 CHADMN CCC1CCC(N[C@H](C)c2ncc(C(=O)OC)s2)CC1 ZINC000314870984 330465835 /nfs/dbraw/zinc/46/58/35/330465835.db2.gz XPSUIFFRLCKUFE-VOMCLLRMSA-N 0 1 296.436 3.549 20 0 CHADMN CC(C)CN(C(=O)c1c(O)cccc1F)c1ccccc1 ZINC000315111773 330471667 /nfs/dbraw/zinc/47/16/67/330471667.db2.gz OFUCGQQXLUGVEH-UHFFFAOYSA-N 0 1 287.334 3.834 20 0 CHADMN Cc1cncc(CNCc2ccc(C(F)(F)F)s2)c1 ZINC000428868704 330533452 /nfs/dbraw/zinc/53/34/52/330533452.db2.gz XNUMHFROYVVKOH-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN Fc1cc(CNC/C=C/c2ccncc2)c(F)cc1Cl ZINC000433183596 330619221 /nfs/dbraw/zinc/61/92/21/330619221.db2.gz SEOQNTXFFUISNW-OWOJBTEDSA-N 0 1 294.732 3.816 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](NCCF)CCCO2 ZINC000436294239 330674038 /nfs/dbraw/zinc/67/40/38/330674038.db2.gz FXRYAPYECVCHOH-AWEZNQCLSA-N 0 1 251.345 3.583 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)c2ccc(C)cc2)c1 ZINC000436648415 330682079 /nfs/dbraw/zinc/68/20/79/330682079.db2.gz UEJQZILTHCTTMM-UHFFFAOYSA-N 0 1 283.327 3.546 20 0 CHADMN Cc1ccc(C)c2[nH]c(-c3cc(F)c(O)c(F)c3)nc21 ZINC000436891226 330687934 /nfs/dbraw/zinc/68/79/34/330687934.db2.gz FGVZAGRPNYLWMN-UHFFFAOYSA-N 0 1 274.270 3.831 20 0 CHADMN CCCc1cc(C(=O)Nc2cccc(Cl)c2O)ccn1 ZINC000436968019 330690075 /nfs/dbraw/zinc/69/00/75/330690075.db2.gz UMANAYWKSQBGCC-UHFFFAOYSA-N 0 1 290.750 3.645 20 0 CHADMN CC(C)N(C)c1ccccc1CN[C@H](C)c1cccnc1 ZINC000437074334 330692352 /nfs/dbraw/zinc/69/23/52/330692352.db2.gz CJDNFOJXFOMVQH-OAHLLOKOSA-N 0 1 283.419 3.777 20 0 CHADMN COc1cnccc1[C@H](C)NCc1ccc(Cl)cc1C ZINC000438486392 330726172 /nfs/dbraw/zinc/72/61/72/330726172.db2.gz PHACAWFOPIDHRO-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CC(C)c1cccc(CNCc2cc(C(F)(F)F)n[nH]2)c1 ZINC000440622776 330752790 /nfs/dbraw/zinc/75/27/90/330752790.db2.gz FHGRXIHJIJMMMG-UHFFFAOYSA-N 0 1 297.324 3.842 20 0 CHADMN Cc1sc(NC(=O)CN2[C@@H](C)CCC[C@@H]2C)c(C)c1C ZINC000441304256 330765124 /nfs/dbraw/zinc/76/51/24/330765124.db2.gz FXWOLDKJLMPCHW-QWRGUYRKSA-N 0 1 294.464 3.875 20 0 CHADMN CC(C)C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000441445974 330768930 /nfs/dbraw/zinc/76/89/30/330768930.db2.gz ZTYJTGBAAQKUTN-UHFFFAOYSA-N 0 1 253.336 3.833 20 0 CHADMN C[C@H](c1noc([C@H](C)N2[C@@H](C)CC[C@@H]2C)n1)C1CC1 ZINC000443229117 330797600 /nfs/dbraw/zinc/79/76/00/330797600.db2.gz XINATLWHNGBWGG-BJDJZHNGSA-N 0 1 263.385 3.517 20 0 CHADMN CCc1ccc(CNCc2ccc3c(n2)CCCC3)cc1 ZINC000444016983 330809577 /nfs/dbraw/zinc/80/95/77/330809577.db2.gz OJMGZPJNHUQAJD-UHFFFAOYSA-N 0 1 280.415 3.813 20 0 CHADMN CCc1noc(C)c1CN1CCC(OCCC(C)C)CC1 ZINC000162894019 330809678 /nfs/dbraw/zinc/80/96/78/330809678.db2.gz PPSKWSLUKGGDMD-UHFFFAOYSA-N 0 1 294.439 3.573 20 0 CHADMN CCc1ccccc1CN[C@@H](COC)c1ccc(F)cc1 ZINC000445810345 330837814 /nfs/dbraw/zinc/83/78/14/330837814.db2.gz YUHLXWYCXSMFIU-SFHVURJKSA-N 0 1 287.378 3.865 20 0 CHADMN Cc1cnc(CN[C@@H](CC(F)(F)F)C(C)C)s1 ZINC000445877913 330840945 /nfs/dbraw/zinc/84/09/45/330840945.db2.gz DJZLYWHKQWEDFH-VIFPVBQESA-N 0 1 266.332 3.518 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2cc(C(=O)OC)co2)s1 ZINC000447540972 330869050 /nfs/dbraw/zinc/86/90/50/330869050.db2.gz FFSDXYSNMBPKSC-JTQLQIEISA-N 0 1 293.388 3.541 20 0 CHADMN COc1ccc(C2(N[C@H]3CCCc4occc43)CC2)cc1 ZINC000447587297 330871766 /nfs/dbraw/zinc/87/17/66/330871766.db2.gz QUYYUSOMPUBPFA-INIZCTEOSA-N 0 1 283.371 3.945 20 0 CHADMN CCOCc1ccccc1CNCc1ccc(C)cc1OC ZINC000449072267 330897241 /nfs/dbraw/zinc/89/72/41/330897241.db2.gz POJCQXVIRJPPTC-UHFFFAOYSA-N 0 1 299.414 3.830 20 0 CHADMN COc1cccc(C2(NCc3cc4cccnc4o3)CC2)c1 ZINC000449190144 330905057 /nfs/dbraw/zinc/90/50/57/330905057.db2.gz NDQGLSMHWQPYKS-UHFFFAOYSA-N 0 1 294.354 3.615 20 0 CHADMN CCSc1cc(CNCc2csc(C)c2)ccn1 ZINC000449256244 330910302 /nfs/dbraw/zinc/91/03/02/330910302.db2.gz CMRWDIFEYJZAIB-UHFFFAOYSA-N 0 1 278.446 3.853 20 0 CHADMN CC[C@H](N[C@@H](C)c1nc(C(C)(C)C)no1)C1CCC1 ZINC000449275928 330911228 /nfs/dbraw/zinc/91/12/28/330911228.db2.gz AEGCNCWCALJDDI-JQWIXIFHSA-N 0 1 265.401 3.596 20 0 CHADMN CC[C@@H](N[C@H](C)c1nc(C(C)(C)C)no1)C1CCCC1 ZINC000449279758 330911444 /nfs/dbraw/zinc/91/14/44/330911444.db2.gz SRUYYJWNYANWDJ-DGCLKSJQSA-N 0 1 279.428 3.987 20 0 CHADMN C[C@@H](N[C@@H](C)C(C)(F)F)C1CCC(F)(F)CC1 ZINC000449416875 330923990 /nfs/dbraw/zinc/92/39/90/330923990.db2.gz VYGDYVDEQSOJBX-BDAKNGLRSA-N 0 1 255.299 3.834 20 0 CHADMN CC[C@H](CC(C)C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000449469873 330928125 /nfs/dbraw/zinc/92/81/25/330928125.db2.gz VMPFWTOZLURESE-UKRRQHHQSA-N 0 1 296.480 3.539 20 0 CHADMN CCc1ncc(CN[C@H]2c3cc(C)ccc3C[C@@H]2C)o1 ZINC000449609334 330939413 /nfs/dbraw/zinc/93/94/13/330939413.db2.gz MWNQFNBJYUDVGF-YVEFUNNKSA-N 0 1 270.376 3.569 20 0 CHADMN Cc1cc(C)c(CNCc2cnc(C3CC3)o2)c(C)c1 ZINC000449702734 330945085 /nfs/dbraw/zinc/94/50/85/330945085.db2.gz ZUSZCIFLNHGGJT-UHFFFAOYSA-N 0 1 270.376 3.767 20 0 CHADMN CO[C@H]1CCN(c2cc(C)nc3ccc(F)cc32)C[C@@H]1C ZINC000450764628 330998798 /nfs/dbraw/zinc/99/87/98/330998798.db2.gz RAXFJYAKZQVDFV-GTNSWQLSSA-N 0 1 288.366 3.544 20 0 CHADMN Cc1ccsc1[C@@H](CO)NCc1c(C)cccc1Cl ZINC000450763375 330998833 /nfs/dbraw/zinc/99/88/33/330998833.db2.gz OZVKVUKTPMOUCG-CQSZACIVSA-N 0 1 295.835 3.842 20 0 CHADMN CC[C@@H](Nc1ccnc2cc(C(F)(F)F)ccc21)[C@H](C)O ZINC000450802786 331000337 /nfs/dbraw/zinc/00/03/37/331000337.db2.gz VOUXVTDJSYDHFV-JOYOIKCWSA-N 0 1 298.308 3.825 20 0 CHADMN FC1(F)CC(CN2CCc3cc(Cl)ccc3C2)C1 ZINC000450835423 331001803 /nfs/dbraw/zinc/00/18/03/331001803.db2.gz OFDIAJDSLKZQSA-UHFFFAOYSA-N 0 1 271.738 3.743 20 0 CHADMN CCCc1ncc(CNc2cc(C)nc3ccc(F)cc32)o1 ZINC000450849820 331002686 /nfs/dbraw/zinc/00/26/86/331002686.db2.gz VPCVKDWMHFZKSP-UHFFFAOYSA-N 0 1 299.349 3.657 20 0 CHADMN COc1cc(CN2CCS[C@@H](C)CC2)ccc1Cl ZINC000450849442 331002729 /nfs/dbraw/zinc/00/27/29/331002729.db2.gz URNOCURTANMAQJ-NSHDSACASA-N 0 1 285.840 3.676 20 0 CHADMN CN(CC/C=C\c1ccccc1)Cc1cn2c(n1)CCCC2 ZINC000450856493 331003103 /nfs/dbraw/zinc/00/31/03/331003103.db2.gz OPYISDUFBDAWAW-WZUFQYTHSA-N 0 1 295.430 3.755 20 0 CHADMN CC(=O)c1ccc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000450885724 331004706 /nfs/dbraw/zinc/00/47/06/331004706.db2.gz CXOUMVLJLOZXAU-HZMBPMFUSA-N 0 1 285.309 3.662 20 0 CHADMN CCn1ccnc1[C@@H]1CCCCN1C[C@@H]1CCC(F)(F)C1 ZINC000450917729 331007084 /nfs/dbraw/zinc/00/70/84/331007084.db2.gz UHIRQYYVDZMJOB-KGLIPLIRSA-N 0 1 297.393 3.865 20 0 CHADMN COc1cc([C@H](C)NCc2c(C)cccc2Cl)ccn1 ZINC000451026421 331012477 /nfs/dbraw/zinc/01/24/77/331012477.db2.gz FDJCEYXBEDGAEX-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN COc1ncc(CN[C@H](C)c2cccc(C3CC3)c2)c(C)n1 ZINC000451117354 331016261 /nfs/dbraw/zinc/01/62/61/331016261.db2.gz UAMFNNNRNSLEFR-GFCCVEGCSA-N 0 1 297.402 3.522 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)[C@H](CC)CC(C)C)n[nH]1 ZINC000451161061 331018178 /nfs/dbraw/zinc/01/81/78/331018178.db2.gz JHZWKKVIHDLLNT-FRRDWIJNSA-N 0 1 294.443 3.568 20 0 CHADMN CCC[C@H](NCc1ncn(-c2ccccc2)n1)C(C)(C)C ZINC000451417505 331028514 /nfs/dbraw/zinc/02/85/14/331028514.db2.gz BUEBYZYXNVMDRN-HNNXBMFYSA-N 0 1 286.423 3.572 20 0 CHADMN CCCc1nc(CN[C@H]2C[C@@H](OCC)C23CCC3)cs1 ZINC000451471167 331030712 /nfs/dbraw/zinc/03/07/12/331030712.db2.gz HMYBDQRCDSTMTI-UONOGXRCSA-N 0 1 294.464 3.533 20 0 CHADMN CO[C@H]1C[C@H](NCc2csc(C3CCCC3)n2)C1(C)C ZINC000451494591 331031549 /nfs/dbraw/zinc/03/15/49/331031549.db2.gz KZORSNCMWDDJPI-KBPBESRZSA-N 0 1 294.464 3.704 20 0 CHADMN CCO[C@@H]1CCN([C@@H](C)c2ccc(F)c(F)c2)C[C@@H]1C ZINC000451521851 331032279 /nfs/dbraw/zinc/03/22/79/331032279.db2.gz AHOIQBVOYMURSY-MQIPJXDCSA-N 0 1 283.362 3.773 20 0 CHADMN CCO[C@@H]1CCN([C@H](C)c2cc(F)ccc2F)C[C@@H]1C ZINC000451542241 331033253 /nfs/dbraw/zinc/03/32/53/331033253.db2.gz NBRZRXQQZMRTMU-HWWQOWPSSA-N 0 1 283.362 3.773 20 0 CHADMN CC(C)SCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451842534 331044419 /nfs/dbraw/zinc/04/44/19/331044419.db2.gz FOXFYPJLWHZUEY-AWEZNQCLSA-N 0 1 265.422 3.948 20 0 CHADMN CCOC(=O)CCCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451847117 331044609 /nfs/dbraw/zinc/04/46/09/331044609.db2.gz XTFNDBCPJXXOMF-MRXNPFEDSA-N 0 1 291.391 3.540 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC[C@@]2(CCOC2)C1 ZINC000451903075 331046739 /nfs/dbraw/zinc/04/67/39/331046739.db2.gz PBIMFQSOMORXAM-BLLLJJGKSA-N 0 1 281.346 3.528 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccc(F)cc2C)ncn1 ZINC000451992240 331049722 /nfs/dbraw/zinc/04/97/22/331049722.db2.gz NSZCZHSQTCQTLV-QGZVFWFLSA-N 0 1 285.366 3.570 20 0 CHADMN Cc1ccccc1Cc1noc(CN2[C@@H](C)CCC2(C)C)n1 ZINC000452001386 331049779 /nfs/dbraw/zinc/04/97/79/331049779.db2.gz CTTDKKRWQDCBBY-AWEZNQCLSA-N 0 1 299.418 3.732 20 0 CHADMN C[C@H](N[C@@H](C)[C@H]1CCC[C@@H](C)C1)c1nc(C2CC2)no1 ZINC000452076003 331053031 /nfs/dbraw/zinc/05/30/31/331053031.db2.gz YKQBDUANRMVOMW-UHXUPSOCSA-N 0 1 277.412 3.812 20 0 CHADMN CCOc1cc(C)ccc1CN[C@H](C)c1cccc(O)c1 ZINC000194913244 331074650 /nfs/dbraw/zinc/07/46/50/331074650.db2.gz FIMBAUVUDKIMLU-CQSZACIVSA-N 0 1 285.387 3.950 20 0 CHADMN CCOc1ccccc1CN[C@@H](CC)c1ccncc1 ZINC000453068500 331086231 /nfs/dbraw/zinc/08/62/31/331086231.db2.gz MUGCXTGZILYRPQ-INIZCTEOSA-N 0 1 270.376 3.721 20 0 CHADMN CCCOc1ccc([C@@H](C)N[C@H](C)c2ccncn2)cc1 ZINC000453094987 331088579 /nfs/dbraw/zinc/08/85/79/331088579.db2.gz UKRBFMXCHUBJDZ-ZIAGYGMSSA-N 0 1 285.391 3.677 20 0 CHADMN CC(C)C[C@@H](N[C@H]1CCn2ccnc21)c1cccs1 ZINC000453095368 331088723 /nfs/dbraw/zinc/08/87/23/331088723.db2.gz UIVISFUSIXKGQL-QWHCGFSZSA-N 0 1 275.421 3.766 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)C1CCC1)c1ccncn1 ZINC000453104169 331089492 /nfs/dbraw/zinc/08/94/92/331089492.db2.gz DULCUXUHUSUBPT-GUYCJALGSA-N 0 1 267.376 3.669 20 0 CHADMN C[C@@H]1C[C@H](NC[C@H]2SCCc3ccccc32)c2nccn21 ZINC000453139050 331093236 /nfs/dbraw/zinc/09/32/36/331093236.db2.gz RGXJDLWBRIWKBV-UHOFOFEASA-N 0 1 299.443 3.509 20 0 CHADMN Cc1cc([C@H](C)N[C@H](CO)c2cccc(F)c2)cs1 ZINC000453139302 331093261 /nfs/dbraw/zinc/09/32/61/331093261.db2.gz IBPYWDUATKSZLX-XHDPSFHLSA-N 0 1 279.380 3.580 20 0 CHADMN C[C@H](Cc1cnccn1)N[C@@H](C)c1c(F)cccc1Cl ZINC000453151633 331094611 /nfs/dbraw/zinc/09/46/11/331094611.db2.gz NOWQJMSGCWMRAJ-MNOVXSKESA-N 0 1 293.773 3.551 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000453157076 331095119 /nfs/dbraw/zinc/09/51/19/331095119.db2.gz YBKUPNIDBDBTPS-LOUJCGABSA-N 0 1 299.418 3.507 20 0 CHADMN C[C@@H](NCCOc1ccccc1C(C)(C)C)c1ccncn1 ZINC000453168489 331096534 /nfs/dbraw/zinc/09/65/34/331096534.db2.gz XQLWXZDHIXNVFX-CQSZACIVSA-N 0 1 299.418 3.504 20 0 CHADMN CC[C@@H](N[C@@H](CCOC)c1ccc(C)o1)c1ccncc1 ZINC000453192592 331099597 /nfs/dbraw/zinc/09/95/97/331099597.db2.gz BSYLHILWDBEWCQ-CVEARBPZSA-N 0 1 288.391 3.802 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2nnc3ccccn32)c2sccc21 ZINC000453196296 331100164 /nfs/dbraw/zinc/10/01/64/331100164.db2.gz LGKQBKZWIUADGT-DGCLKSJQSA-N 0 1 298.415 3.519 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccncc1OC)c1ccsc1 ZINC000453213864 331102149 /nfs/dbraw/zinc/10/21/49/331102149.db2.gz HCCWVNYXZXARLT-SMDDNHRTSA-N 0 1 276.405 3.954 20 0 CHADMN CC(C)c1nc([C@@H](C)NC2CC(C)(F)C2)cs1 ZINC000453235404 331105103 /nfs/dbraw/zinc/10/51/03/331105103.db2.gz KFZGBKUROVVWED-TTXORMCVSA-N 0 1 256.390 3.808 20 0 CHADMN CCC[C@H](CN[C@@H](C)c1nc(C(F)(F)F)cs1)OC ZINC000453239707 331105802 /nfs/dbraw/zinc/10/58/02/331105802.db2.gz BHJYWVWVEIMYGG-DTWKUNHWSA-N 0 1 296.358 3.628 20 0 CHADMN C[C@H](N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1)C1CC1 ZINC000453287836 331111406 /nfs/dbraw/zinc/11/14/06/331111406.db2.gz LGSGTSCOFOGDTD-ZBEGNZNMSA-N 0 1 289.810 3.551 20 0 CHADMN CC[C@H](NCc1ccnc(C)c1)c1cc(F)ccc1F ZINC000453299475 331112983 /nfs/dbraw/zinc/11/29/83/331112983.db2.gz VRUPZYDHGKZEKB-INIZCTEOSA-N 0 1 276.330 3.909 20 0 CHADMN CCC[C@@H](NCc1ncc(C(F)(F)F)cn1)C(C)(C)C ZINC000453304899 331113828 /nfs/dbraw/zinc/11/38/28/331113828.db2.gz IFIJOTYDTPTUIZ-LLVKDONJSA-N 0 1 289.345 3.800 20 0 CHADMN CC/C=C\CN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000453311881 331114805 /nfs/dbraw/zinc/11/48/05/331114805.db2.gz GVMKPLZWPVFYGJ-IBHLPDHGSA-N 0 1 250.411 3.639 20 0 CHADMN CC(C)[C@@H]1C[C@H]1CN[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000453333734 331118172 /nfs/dbraw/zinc/11/81/72/331118172.db2.gz BXWQGCAXIFVDJC-QILLFSRXSA-N 0 1 299.393 3.587 20 0 CHADMN CC[C@@H](NCc1cnccc1C)c1cc(C)ccc1OC ZINC000453336038 331118470 /nfs/dbraw/zinc/11/84/70/331118470.db2.gz YPHIBYLELMBEAE-QGZVFWFLSA-N 0 1 284.403 3.948 20 0 CHADMN CCC[C@H](NCc1cnc(C)cc1C)c1ccccn1 ZINC000453358482 331122020 /nfs/dbraw/zinc/12/20/20/331122020.db2.gz LVLVQKGCXLWJDB-INIZCTEOSA-N 0 1 269.392 3.724 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cnc(C3CC3)o1)CC2 ZINC000453377478 331125138 /nfs/dbraw/zinc/12/51/38/331125138.db2.gz XPUMWZOVPSCGSM-MRXNPFEDSA-N 0 1 268.360 3.638 20 0 CHADMN Cc1ccccc1[C@H](C)NCc1cnc(C2CC2)o1 ZINC000453377460 331125159 /nfs/dbraw/zinc/12/51/59/331125159.db2.gz XLVASBOKAWLPCH-LBPRGKRZSA-N 0 1 256.349 3.711 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](C)c2cccc(C)c2)c(F)cn1 ZINC000453380562 331125732 /nfs/dbraw/zinc/12/57/32/331125732.db2.gz AWEDHIFAFNGJCH-QWHCGFSZSA-N 0 1 288.366 3.950 20 0 CHADMN CCO[C@@H]1CCC[C@H]1N[C@@H](C)c1csc(C(C)C)n1 ZINC000453386204 331126609 /nfs/dbraw/zinc/12/66/09/331126609.db2.gz BEIKOUTZJQXMOX-OUCADQQQSA-N 0 1 282.453 3.875 20 0 CHADMN CCCc1ncc(CN[C@@H](C)c2ccccc2C)o1 ZINC000453391842 331127474 /nfs/dbraw/zinc/12/74/74/331127474.db2.gz QRQHPSOMBFFRIJ-ZDUSSCGKSA-N 0 1 258.365 3.786 20 0 CHADMN CCC(C)(C)OCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000453414177 331130071 /nfs/dbraw/zinc/13/00/71/331130071.db2.gz SSTKEFKVNCGLIY-OAHLLOKOSA-N 0 1 293.455 3.826 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@H]1O)c1cc(Cl)sc1Cl ZINC000453419094 331130492 /nfs/dbraw/zinc/13/04/92/331130492.db2.gz WMTSZEIIOVGLTN-FTLITQJKSA-N 0 1 280.220 3.619 20 0 CHADMN CC(C)(CO)[C@@H](NCc1ccc(Cl)o1)c1cccs1 ZINC000453578796 331134696 /nfs/dbraw/zinc/13/46/96/331134696.db2.gz RDEYMNIBIJTJIO-ZDUSSCGKSA-N 0 1 299.823 3.844 20 0 CHADMN CCC1CN(Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000453600407 331135772 /nfs/dbraw/zinc/13/57/72/331135772.db2.gz FCCQROBWCBSSOR-UHFFFAOYSA-N 0 1 270.351 3.730 20 0 CHADMN CCC(C)(C)OCCNCc1nc2ccc(F)cc2s1 ZINC000453611374 331136428 /nfs/dbraw/zinc/13/64/28/331136428.db2.gz IBPXFDMFIXHYJY-UHFFFAOYSA-N 0 1 296.411 3.730 20 0 CHADMN CCOC[C@H]1CCC[C@H]1Nc1ccc2cnccc2c1 ZINC000453623254 331136997 /nfs/dbraw/zinc/13/69/97/331136997.db2.gz WQDIBMBJSRRMOL-NVXWUHKLSA-N 0 1 270.376 3.852 20 0 CHADMN CC(C)n1nccc1CN1Cc2sccc2CC1(C)C ZINC000453624515 331137178 /nfs/dbraw/zinc/13/71/78/331137178.db2.gz QOEJMEUWAXHQHB-UHFFFAOYSA-N 0 1 289.448 3.862 20 0 CHADMN COC(=O)C[C@@H]1CC[C@@H](Nc2ccc3cnccc3c2)[C@@H]1C ZINC000453625892 331137205 /nfs/dbraw/zinc/13/72/05/331137205.db2.gz ZQRAVTIUEAYJME-IIYDPXPESA-N 0 1 298.386 3.625 20 0 CHADMN C[C@H]1CC[C@H](CNCc2csc(-c3cccs3)n2)O1 ZINC000453633680 331137268 /nfs/dbraw/zinc/13/72/68/331137268.db2.gz RSMLICXOSZCUIE-CMPLNLGQSA-N 0 1 294.445 3.529 20 0 CHADMN C[C@@H]1CC[C@@H](CNCc2csc(Cl)c2Cl)O1 ZINC000453633259 331137340 /nfs/dbraw/zinc/13/73/40/331137340.db2.gz RHAPARVGGZOXCF-APPZFPTMSA-N 0 1 280.220 3.712 20 0 CHADMN C[C@H]1CC[C@@H](CNCc2csc(-c3cccs3)n2)O1 ZINC000453633682 331137385 /nfs/dbraw/zinc/13/73/85/331137385.db2.gz RSMLICXOSZCUIE-JQWIXIFHSA-N 0 1 294.445 3.529 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C2CC(C(C)(C)C)C2)c1 ZINC000457695536 331231522 /nfs/dbraw/zinc/23/15/22/331231522.db2.gz RHUJKQVJMGIGHZ-UHFFFAOYSA-N 0 1 289.375 3.606 20 0 CHADMN CC[C@@H](CC(F)F)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000457806577 331235028 /nfs/dbraw/zinc/23/50/28/331235028.db2.gz FNYJHBCSZGTPSQ-LURJTMIESA-N 0 1 295.688 3.805 20 0 CHADMN O=C(c1ccn[nH]1)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000458123248 331243428 /nfs/dbraw/zinc/24/34/28/331243428.db2.gz JOCNWXPNACHHRP-MRXNPFEDSA-N 0 1 295.386 3.557 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cnc(C3CC3)nc2)cc1 ZINC000459309964 331275696 /nfs/dbraw/zinc/27/56/96/331275696.db2.gz LUALCILIDOIRSV-CYBMUJFWSA-N 0 1 297.402 3.556 20 0 CHADMN CC(C)(C)C1CCN(Cc2cnc(C3CC3)nc2)CC1 ZINC000459319469 331276104 /nfs/dbraw/zinc/27/61/04/331276104.db2.gz DNPXCHMYAHIOIG-UHFFFAOYSA-N 0 1 273.424 3.612 20 0 CHADMN CCCCN(Cc1cnnn1CC)[C@@H](C)c1ccccc1 ZINC000459331416 331276525 /nfs/dbraw/zinc/27/65/25/331276525.db2.gz TWGRAFLXUKZOGI-HNNXBMFYSA-N 0 1 286.423 3.661 20 0 CHADMN c1ccc2c(c1)SCC[C@H]2NCc1cnc(C2CC2)nc1 ZINC000459368590 331278602 /nfs/dbraw/zinc/27/86/02/331278602.db2.gz NHKXOPVZZMYDDD-OAHLLOKOSA-N 0 1 297.427 3.681 20 0 CHADMN CO[C@@H](C)c1nc(CNC2CC(C(C)(C)C)C2)cs1 ZINC000459423086 331280634 /nfs/dbraw/zinc/28/06/34/331280634.db2.gz IPTDUWQSRZRHJV-UNXYVOJBSA-N 0 1 282.453 3.765 20 0 CHADMN CCn1nccc1CN(C)[C@H](C)c1ccc2c(c1)CCC2 ZINC000459435689 331281271 /nfs/dbraw/zinc/28/12/71/331281271.db2.gz WZJIOPMKOWTVBK-CQSZACIVSA-N 0 1 283.419 3.585 20 0 CHADMN FC1(F)CCC(C[N@H+]2CCC=C(c3cccnc3)C2)CC1 ZINC000459476215 331283816 /nfs/dbraw/zinc/28/38/16/331283816.db2.gz HBMKWNYXOXDZHA-UHFFFAOYSA-N 0 1 292.373 3.996 20 0 CHADMN Fc1cc(F)c(CNC2CC3(CCC3)C2)c(F)c1F ZINC000459498000 331285107 /nfs/dbraw/zinc/28/51/07/331285107.db2.gz AHAHPLCKSFGEOS-UHFFFAOYSA-N 0 1 273.273 3.665 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cnc(C3CC3)nc1)CCC2 ZINC000459531528 331286165 /nfs/dbraw/zinc/28/61/65/331286165.db2.gz QGWROPCZKPCQTE-QGZVFWFLSA-N 0 1 297.377 3.660 20 0 CHADMN O[C@@H](CN1CC2(CCCC2)[C@@H]1c1ccccc1)C(F)(F)F ZINC000459576976 331289053 /nfs/dbraw/zinc/28/90/53/331289053.db2.gz LNEMTUYTSWVSOG-KBPBESRZSA-N 0 1 299.336 3.527 20 0 CHADMN Cc1cncc(CN2Cc3sccc3CC2(C)C)c1 ZINC000459582823 331289448 /nfs/dbraw/zinc/28/94/48/331289448.db2.gz NRJXECCGPUKTJV-UHFFFAOYSA-N 0 1 272.417 3.788 20 0 CHADMN COCCC1(C)CN(Cc2c(C)cc(Cl)cc2C)C1 ZINC000459633211 331291311 /nfs/dbraw/zinc/29/13/11/331291311.db2.gz KYGCHCACSFTFQB-UHFFFAOYSA-N 0 1 281.827 3.815 20 0 CHADMN Cc1nc(CCN2CCc3cccc(Cl)c3C2)cs1 ZINC000459666869 331293091 /nfs/dbraw/zinc/29/30/91/331293091.db2.gz APBVQCDTMQOFRZ-UHFFFAOYSA-N 0 1 292.835 3.706 20 0 CHADMN Cc1ccc(CNCc2ccc(OCC3CC3)cc2)nc1C ZINC000459678424 331293916 /nfs/dbraw/zinc/29/39/16/331293916.db2.gz VWRCKBZLRVPFLV-UHFFFAOYSA-N 0 1 296.414 3.777 20 0 CHADMN Cc1cnc(CN(C)[C@@H]2CCC[C@@H]2c2ccccc2)nc1 ZINC000459717756 331295658 /nfs/dbraw/zinc/29/56/58/331295658.db2.gz XBWDXPLBHMLCND-IAGOWNOFSA-N 0 1 281.403 3.553 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1ccccc1N(C)C ZINC000459735592 331296875 /nfs/dbraw/zinc/29/68/75/331296875.db2.gz TXWQGHHZBBSNRB-HNNXBMFYSA-N 0 1 298.430 3.920 20 0 CHADMN CCC1(c2ccccc2)CN(Cc2ccc(COC)o2)C1 ZINC000459739873 331297266 /nfs/dbraw/zinc/29/72/66/331297266.db2.gz CJSJXYDUWMICNQ-UHFFFAOYSA-N 0 1 285.387 3.590 20 0 CHADMN Cc1ccc([C@@H](N[C@@H](C)c2ccn(C)n2)C2CC2)cc1 ZINC000459743509 331297615 /nfs/dbraw/zinc/29/76/15/331297615.db2.gz GTNAKMNDKHAOPQ-SUMWQHHRSA-N 0 1 269.392 3.530 20 0 CHADMN Cc1cc(C)c(NC(=O)CN(C)C2CC(C)(C)C2)c(C)c1 ZINC000459748426 331298103 /nfs/dbraw/zinc/29/81/03/331298103.db2.gz WYZZIKIMKXRINE-UHFFFAOYSA-N 0 1 288.435 3.671 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ncc(C(C)(C)C)o1 ZINC000459765128 331299341 /nfs/dbraw/zinc/29/93/41/331299341.db2.gz DCMJAAROTKJJFI-FVCCEPFGSA-N 0 1 262.397 3.811 20 0 CHADMN CCC[C@H](N[C@H](C)c1nc(C(C)C)no1)C1CCC1 ZINC000459789254 331301081 /nfs/dbraw/zinc/30/10/81/331301081.db2.gz FYRWGSOZOFEXDU-YPMHNXCESA-N 0 1 265.401 3.812 20 0 CHADMN CSC[C@H](C)N[C@H](c1ccccc1)c1ccccn1 ZINC000166084119 331306584 /nfs/dbraw/zinc/30/65/84/331306584.db2.gz ISUHDQIIERPDQC-XJKSGUPXSA-N 0 1 272.417 3.512 20 0 CHADMN CS[C@@H](C)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000166172733 331306632 /nfs/dbraw/zinc/30/66/32/331306632.db2.gz YIHMEFLLDXWDIC-BBRMVZONSA-N 0 1 272.417 3.512 20 0 CHADMN CCCc1noc(CN2CC[C@H](C)C3(CCCCC3)C2)n1 ZINC000462479493 331322579 /nfs/dbraw/zinc/32/25/79/331322579.db2.gz XVZREEJQZQZPCY-AWEZNQCLSA-N 0 1 291.439 3.814 20 0 CHADMN CC(C)N(Cc1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000462862063 331333001 /nfs/dbraw/zinc/33/30/01/331333001.db2.gz MYGSTZHHTRDPCO-CYBMUJFWSA-N 0 1 288.218 3.993 20 0 CHADMN CC(C)O[C@H]1C[C@H](NCc2c(F)cccc2F)C1(C)C ZINC000463025827 331337377 /nfs/dbraw/zinc/33/73/77/331337377.db2.gz SOIANRJQMLGXHL-GJZGRUSLSA-N 0 1 283.362 3.647 20 0 CHADMN CCOc1ccc(CN2CC(c3ccccc3F)C2)cc1 ZINC000463041880 331338325 /nfs/dbraw/zinc/33/83/25/331338325.db2.gz YRWWRLJBIPAIPC-UHFFFAOYSA-N 0 1 285.362 3.824 20 0 CHADMN Fc1cc(F)cc(-c2n[nH]c(SCC3CCC3)n2)c1 ZINC000463214214 331342442 /nfs/dbraw/zinc/34/24/42/331342442.db2.gz RBIZRXZJYSWHJF-UHFFFAOYSA-N 0 1 281.331 3.642 20 0 CHADMN CC[C@@H](F)CN(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463439138 331347855 /nfs/dbraw/zinc/34/78/55/331347855.db2.gz ZQONTICPCSSQAC-MXWKQRLJSA-N 0 1 255.299 3.787 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1Cc1nc(CC(C)C)no1 ZINC000464727501 331365511 /nfs/dbraw/zinc/36/55/11/331365511.db2.gz BIZGSCLAKKTZDJ-ZIAGYGMSSA-N 0 1 279.428 3.669 20 0 CHADMN CCN(C(=O)CN1CCC[C@](C)(CC)C1)c1ccccc1 ZINC000464777811 331367582 /nfs/dbraw/zinc/36/75/82/331367582.db2.gz PIUYGBQKHJOODH-SFHVURJKSA-N 0 1 288.435 3.552 20 0 CHADMN CC1(C)CCN(CC(=O)Nc2cccc3ccccc32)C1 ZINC000464789497 331368442 /nfs/dbraw/zinc/36/84/42/331368442.db2.gz COJXDCDNJKRMLK-UHFFFAOYSA-N 0 1 282.387 3.510 20 0 CHADMN CC(C)(C)c1ccccc1NC(=O)CN1CCC(C)(C)C1 ZINC000464800821 331368970 /nfs/dbraw/zinc/36/89/70/331368970.db2.gz XVDDSWSWBMDHFI-UHFFFAOYSA-N 0 1 288.435 3.655 20 0 CHADMN CCCCc1nc(CN2C[C@H](C)[C@H](C)C2)cs1 ZINC000464830566 331369946 /nfs/dbraw/zinc/36/99/46/331369946.db2.gz IRKWGWXBLXTHJC-TXEJJXNPSA-N 0 1 252.427 3.574 20 0 CHADMN Cc1sc(NC(=O)CN2C[C@@H](C)CC[C@@H]2C)c(C)c1C ZINC000464828322 331370140 /nfs/dbraw/zinc/37/01/40/331370140.db2.gz MDEHXDCFTSGZAZ-QWRGUYRKSA-N 0 1 294.464 3.732 20 0 CHADMN CC[C@]1(C)CCCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000464880710 331372539 /nfs/dbraw/zinc/37/25/39/331372539.db2.gz MFHJOSXMMGGOQM-MRXNPFEDSA-N 0 1 276.355 3.979 20 0 CHADMN CO[C@]1(C)C[C@@H](NCc2c(F)cccc2Cl)C1(C)C ZINC000465009257 331375728 /nfs/dbraw/zinc/37/57/28/331375728.db2.gz COLXSAZDMRGKBJ-UKRRQHHQSA-N 0 1 285.790 3.772 20 0 CHADMN C[C@@H](CC(F)(F)F)N[C@H]1CCc2c1c(F)ccc2F ZINC000468024894 331426850 /nfs/dbraw/zinc/42/68/50/331426850.db2.gz DBWVDGVCRKJCIY-CPCISQLKSA-N 0 1 279.252 3.883 20 0 CHADMN Cc1ccnc(NC[C@@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC000470505252 331484241 /nfs/dbraw/zinc/48/42/41/331484241.db2.gz BAIFCAUOVCZQRO-ZFWWWQNUSA-N 0 1 262.397 3.643 20 0 CHADMN CCc1cccc(Cl)c1CNCc1cncc(C)c1 ZINC000473990795 331561928 /nfs/dbraw/zinc/56/19/28/331561928.db2.gz WAZWTPATPJZLDA-UHFFFAOYSA-N 0 1 274.795 3.896 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000474432190 331586690 /nfs/dbraw/zinc/58/66/90/331586690.db2.gz GDGKWQUAMAZOAD-GDGBQDQQSA-N 0 1 283.730 3.559 20 0 CHADMN CC1(C)CC[C@H](C(=O)Nc2cc(F)cc(Cl)c2O)C1 ZINC000474436634 331586920 /nfs/dbraw/zinc/58/69/20/331586920.db2.gz FNWZUXHMXSAPNK-QMMMGPOBSA-N 0 1 285.746 3.950 20 0 CHADMN C[C@@H]1CCC[C@H](C(=O)Nc2cc(F)cc(Cl)c2O)C1 ZINC000474440803 331587122 /nfs/dbraw/zinc/58/71/22/331587122.db2.gz VFAZYLRBWHOPLK-BDAKNGLRSA-N 0 1 285.746 3.950 20 0 CHADMN C[C@H](C[NH2+]Cc1c(F)ccc([O-])c1F)c1ccc(F)cc1 ZINC000510873999 332919409 /nfs/dbraw/zinc/91/94/09/332919409.db2.gz WVCYDOGYHAVPCO-SNVBAGLBSA-N 0 1 295.304 3.703 20 0 CHADMN C[C@@H](N[C@@H](CO)c1c(Cl)cccc1Cl)C1CCC1 ZINC000475622162 331639072 /nfs/dbraw/zinc/63/90/72/331639072.db2.gz GAXOYXDKIZIKBZ-RNCFNFMXSA-N 0 1 288.218 3.805 20 0 CHADMN CC1(C)CCC[C@@H]1C(=O)Nc1cccc(Cl)c1O ZINC000477706738 331688732 /nfs/dbraw/zinc/68/87/32/331688732.db2.gz WGSMACWJCUIGHN-SECBINFHSA-N 0 1 267.756 3.810 20 0 CHADMN COc1ccnc(NCc2cc3c(cc(C)cc3C)[nH]2)c1 ZINC000478634839 331710948 /nfs/dbraw/zinc/71/09/48/331710948.db2.gz OXXPJABLYWOGEG-UHFFFAOYSA-N 0 1 281.359 3.800 20 0 CHADMN COc1cccc(Cl)c1CNC[C@@H](C)C(F)(F)F ZINC000479602667 331740125 /nfs/dbraw/zinc/74/01/25/331740125.db2.gz HCYQOSUXPYEEPH-MRVPVSSYSA-N 0 1 281.705 3.637 20 0 CHADMN C[C@@H](CNCc1nc2c(s1)C[C@@H](C)CC2)C(F)(F)F ZINC000479603373 331740180 /nfs/dbraw/zinc/74/01/80/331740180.db2.gz CTAYYCOYPJJPNE-IUCAKERBSA-N 0 1 292.370 3.556 20 0 CHADMN C[C@@H](CNCc1nc2c(s1)C[C@H](C)CC2)C(F)(F)F ZINC000479603371 331740203 /nfs/dbraw/zinc/74/02/03/331740203.db2.gz CTAYYCOYPJJPNE-BDAKNGLRSA-N 0 1 292.370 3.556 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CCCC[C@H]1C ZINC000479859616 331749071 /nfs/dbraw/zinc/74/90/71/331749071.db2.gz JWJHZKQHEMJDAS-LLVKDONJSA-N 0 1 274.339 3.761 20 0 CHADMN Cc1ccc(F)cc1CNCc1ccc2ccccc2n1 ZINC000479946950 331752227 /nfs/dbraw/zinc/75/22/27/331752227.db2.gz GXBNGQMWMYTMTR-UHFFFAOYSA-N 0 1 280.346 3.972 20 0 CHADMN COc1cc(C)nc(CN[C@@H](C)c2cc(C)cc(C)c2)c1 ZINC000479967326 331752695 /nfs/dbraw/zinc/75/26/95/331752695.db2.gz OSMMAAOTRLNDRX-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN CCCC[C@@H](COC)NCc1nc(C(C)C)c(C)s1 ZINC000482896867 331851334 /nfs/dbraw/zinc/85/13/34/331851334.db2.gz VHNIYOOXNZRLCA-ZDUSSCGKSA-N 0 1 284.469 3.870 20 0 CHADMN CC(C)(C)c1nnc(CNCCC2CCCCC2)s1 ZINC000483304748 331868277 /nfs/dbraw/zinc/86/82/77/331868277.db2.gz KRKSZWXSYBLVSX-UHFFFAOYSA-N 0 1 281.469 3.896 20 0 CHADMN CCCC[C@@H](COC)N[C@@H](C)c1c(F)cccc1OC ZINC000483730077 331883246 /nfs/dbraw/zinc/88/32/46/331883246.db2.gz PONUDMOWBKUIBO-STQMWFEESA-N 0 1 283.387 3.690 20 0 CHADMN Cc1cc(C)c([C@@H](C)NCc2ccc(F)cn2)cc1C ZINC000484811563 331905552 /nfs/dbraw/zinc/90/55/52/331905552.db2.gz RIIDQVUGXUMALW-CQSZACIVSA-N 0 1 272.367 3.997 20 0 CHADMN C[C@@H]1CSCCN(Cc2ccc(Cl)s2)C1 ZINC000190423380 333206696 /nfs/dbraw/zinc/20/66/96/333206696.db2.gz KLXOKHCTPVNDLT-VIFPVBQESA-N 0 1 261.843 3.586 20 0 CHADMN Cc1cc(F)ccc1CN(C)Cc1cc(O)cc(F)c1 ZINC000488551984 332016798 /nfs/dbraw/zinc/01/67/98/332016798.db2.gz YVOIWSOXJCRVSC-UHFFFAOYSA-N 0 1 277.314 3.611 20 0 CHADMN Cc1cccn2c(CN(C)Cc3ccc(F)cc3C)cnc12 ZINC000488559440 332017287 /nfs/dbraw/zinc/01/72/87/332017287.db2.gz OJRVBDVSGZAOSB-UHFFFAOYSA-N 0 1 297.377 3.722 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488594069 332019837 /nfs/dbraw/zinc/01/98/37/332019837.db2.gz UYBCRZOAZIAPEA-LBPRGKRZSA-N 0 1 283.350 3.895 20 0 CHADMN CC[N@@H+](CCOC)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000488797520 332026147 /nfs/dbraw/zinc/02/61/47/332026147.db2.gz ZRGWOBCXGURJLJ-NSHDSACASA-N 0 1 291.313 3.615 20 0 CHADMN Cc1ccc(C)c(CC(=O)Nc2nc3ccc(F)cc3[nH]2)c1 ZINC000488895112 332032689 /nfs/dbraw/zinc/03/26/89/332032689.db2.gz DEIHZDDZDXGBSN-UHFFFAOYSA-N 0 1 297.333 3.500 20 0 CHADMN O=C(CCC1CCCC1)Nc1nc2ccc(F)cc2[nH]1 ZINC000488947598 332034846 /nfs/dbraw/zinc/03/48/46/332034846.db2.gz RBFPNFMRCSGWTI-UHFFFAOYSA-N 0 1 275.327 3.611 20 0 CHADMN Cc1nc(CN(C)[C@H](C)Cc2cccc(F)c2)cs1 ZINC000489124575 332042304 /nfs/dbraw/zinc/04/23/04/332042304.db2.gz CZUWVEKTTDKOSY-LLVKDONJSA-N 0 1 278.396 3.654 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CCCC(C)(C)C)n[nH]1 ZINC000489277211 332045026 /nfs/dbraw/zinc/04/50/26/332045026.db2.gz IQPYURKZHXBSIU-VXGBXAGGSA-N 0 1 294.443 3.712 20 0 CHADMN CCN(CCCO)[C@H](C)c1ccc(Cl)cc1Cl ZINC000489337217 332047554 /nfs/dbraw/zinc/04/75/54/332047554.db2.gz WZAFXOKTJWZHQV-SNVBAGLBSA-N 0 1 276.207 3.759 20 0 CHADMN Cc1c(C)c(C)c(CSc2cn[nH]n2)c(C)c1C ZINC000489658741 332063360 /nfs/dbraw/zinc/06/33/60/332063360.db2.gz DDUKRMWLLNPOCN-UHFFFAOYSA-N 0 1 261.394 3.639 20 0 CHADMN C[N@@H+](Cc1nc(-c2ccccc2F)no1)C1(C)CCCC1 ZINC000489832906 332069644 /nfs/dbraw/zinc/06/96/44/332069644.db2.gz BERNKNQDQLXXQR-UHFFFAOYSA-N 0 1 289.354 3.640 20 0 CHADMN Cc1cc(C(=O)CN(C)C2(C)CCCC2)c(C)n1C1CC1 ZINC000489871966 332071074 /nfs/dbraw/zinc/07/10/74/332071074.db2.gz FJWLOSPYOKXOBC-UHFFFAOYSA-N 0 1 288.435 3.887 20 0 CHADMN C[C@H](C(=O)Nc1ccc(Cl)c(F)c1)N1CCCCCC1 ZINC000303610566 332942388 /nfs/dbraw/zinc/94/23/88/332942388.db2.gz YWCIXOWPXQPDIR-LLVKDONJSA-N 0 1 298.789 3.682 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)N(Cc3cscn3)C2)cc1 ZINC000490047409 332078610 /nfs/dbraw/zinc/07/86/10/332078610.db2.gz QXTMNHZXOBYYLD-HIFRSBDPSA-N 0 1 272.417 3.830 20 0 CHADMN CCOc1ncccc1CNCc1ccc2c(c1)CCCC2 ZINC000490595725 332094232 /nfs/dbraw/zinc/09/42/32/332094232.db2.gz UZGFDLOQKFIAPL-UHFFFAOYSA-N 0 1 296.414 3.649 20 0 CHADMN CC(C)(CC(=O)Nc1cccc(Cl)c1O)C1CC1 ZINC000490747938 332112567 /nfs/dbraw/zinc/11/25/67/332112567.db2.gz VMKYACWVUHNUOP-UHFFFAOYSA-N 0 1 267.756 3.810 20 0 CHADMN COc1c(O)cccc1CN(C)[C@H](C)c1ccc(C)cc1 ZINC000491205424 332165639 /nfs/dbraw/zinc/16/56/39/332165639.db2.gz ODONMUWIFGEZAI-CQSZACIVSA-N 0 1 285.387 3.902 20 0 CHADMN Cc1nc(CNCc2ccc3c(c2)CCCC3)sc1C ZINC000491247494 332173757 /nfs/dbraw/zinc/17/37/57/332173757.db2.gz PJWLBIBYOBGEGF-UHFFFAOYSA-N 0 1 286.444 3.929 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1nccc2ccccc21 ZINC000172111978 335095327 /nfs/dbraw/zinc/09/53/27/335095327.db2.gz VCEFHWRSUCIUDY-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cc(F)ccc1F ZINC000172112259 335095341 /nfs/dbraw/zinc/09/53/41/335095341.db2.gz QVBWLJCJKGDOGJ-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN C[C@@H]1CCCN(Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000492206013 332387069 /nfs/dbraw/zinc/38/70/69/332387069.db2.gz FXMVFWVSAPUNMI-LLVKDONJSA-N 0 1 292.329 3.852 20 0 CHADMN C[C@H](NCc1ccc(Cl)o1)[C@@H]1OCCc2sccc21 ZINC000492223095 332387976 /nfs/dbraw/zinc/38/79/76/332387976.db2.gz GYELOWRLGAUWKG-XPTSAGLGSA-N 0 1 297.807 3.787 20 0 CHADMN C[C@H](C(=O)Nc1cccc(Cl)c1O)c1cccs1 ZINC000172409539 335104588 /nfs/dbraw/zinc/10/45/88/335104588.db2.gz YYDDINBBMCPSBZ-QMMMGPOBSA-N 0 1 281.764 3.849 20 0 CHADMN O=C(/C=C\c1ccccc1)Nc1cc(Cl)c(O)cc1F ZINC000492795779 332413867 /nfs/dbraw/zinc/41/38/67/332413867.db2.gz GRUIPMLUNHORNU-SREVYHEPSA-N 0 1 291.709 3.837 20 0 CHADMN CCc1nc(CN[C@@H](C)[C@@H](OC)c2ccccc2)cs1 ZINC000493946107 332458985 /nfs/dbraw/zinc/45/89/85/332458985.db2.gz XKNBPVSYDXEPPM-BLLLJJGKSA-N 0 1 290.432 3.571 20 0 CHADMN CCCc1csc(CN[C@H]2CCCC(F)(F)C2)n1 ZINC000494194772 332466263 /nfs/dbraw/zinc/46/62/63/332466263.db2.gz JWUVDEMKXJFEII-JTQLQIEISA-N 0 1 274.380 3.763 20 0 CHADMN COc1ccccc1[C@H](N[C@@H]1C[C@H](C)[C@H]1C)c1ccccn1 ZINC000495057022 332501903 /nfs/dbraw/zinc/50/19/03/332501903.db2.gz FCYZPMUAIUNNFQ-CHWQCYJSSA-N 0 1 296.414 3.814 20 0 CHADMN Cc1ccsc1[C@@H](CO)NCc1ccc(C)cc1Cl ZINC000575754312 335112434 /nfs/dbraw/zinc/11/24/34/335112434.db2.gz SEASKJIBBFUPEL-CQSZACIVSA-N 0 1 295.835 3.842 20 0 CHADMN C[C@@H]1C[C@]1(NCc1cncc(F)c1)c1ccc(Cl)cc1 ZINC000500396628 332606723 /nfs/dbraw/zinc/60/67/23/332606723.db2.gz KHHGSHFXIKRDOF-BDJLRTHQSA-N 0 1 290.769 3.899 20 0 CHADMN CC(C)(C)OCc1cc(CN[C@@H]2CCC[C@@H]3C[C@@]32C)no1 ZINC000502434740 332659551 /nfs/dbraw/zinc/65/95/51/332659551.db2.gz ZWLZVIITKKTVPX-VMGRFDJRSA-N 0 1 292.423 3.658 20 0 CHADMN CCS[C@H]1CCC[C@@H]1NCc1ncc(C(C)(C)C)o1 ZINC000503447733 332689872 /nfs/dbraw/zinc/68/98/72/332689872.db2.gz RXSLHZRMQSDTQS-RYUDHWBXSA-N 0 1 282.453 3.736 20 0 CHADMN CCc1ccc(CNC(C)(C)c2ccc(F)c(F)c2)cn1 ZINC000511998136 332949703 /nfs/dbraw/zinc/94/97/03/332949703.db2.gz YTCTYHWSNDLDFV-UHFFFAOYSA-N 0 1 290.357 3.947 20 0 CHADMN CC[C@@H](c1ccccc1)N1CCOc2cc(O)ccc2C1 ZINC000513122033 333005436 /nfs/dbraw/zinc/00/54/36/333005436.db2.gz KZBKXAJHRWPKDA-KRWDZBQOSA-N 0 1 283.371 3.738 20 0 CHADMN CCc1nocc1CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000513181710 333007092 /nfs/dbraw/zinc/00/70/92/333007092.db2.gz BZKJWUFQZBDETG-LBPRGKRZSA-N 0 1 290.329 3.647 20 0 CHADMN CC[C@H]1[C@@H](C)CCN1Cc1ccc(Br)o1 ZINC000306933537 333011088 /nfs/dbraw/zinc/01/10/88/333011088.db2.gz FZGRULRTTXMHLZ-ONGXEEELSA-N 0 1 272.186 3.663 20 0 CHADMN C[C@@H](O)[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000513285835 333012426 /nfs/dbraw/zinc/01/24/26/333012426.db2.gz DUHUJEIWZLKESF-YGRLFVJLSA-N 0 1 288.218 3.729 20 0 CHADMN CC(C)(C)C[C@@H]1CCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000307779888 333016484 /nfs/dbraw/zinc/01/64/84/333016484.db2.gz SJFQUPWVCTVEDQ-NSHDSACASA-N 0 1 295.810 3.944 20 0 CHADMN CCCC[C@H](CC)CN1CCOC[C@@H]1CC(F)F ZINC000513392196 333017191 /nfs/dbraw/zinc/01/71/91/333017191.db2.gz MQEKRAVGZHIPOH-STQMWFEESA-N 0 1 263.372 3.559 20 0 CHADMN CCc1ccc([C@@H]2CCCN(Cc3nccc(C)n3)C2)cc1 ZINC000513417589 333018492 /nfs/dbraw/zinc/01/84/92/333018492.db2.gz WVRJTSXYPHKOQI-GOSISDBHSA-N 0 1 295.430 3.727 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H]2CCC[C@@H]2C2CC2)no1 ZINC000575805041 335117107 /nfs/dbraw/zinc/11/71/07/335117107.db2.gz FLQXDOJCEGFIES-CVEARBPZSA-N 0 1 297.402 3.713 20 0 CHADMN COc1c(O)cccc1-c1nc2ccc(Cl)cc2[nH]1 ZINC000513853888 333043290 /nfs/dbraw/zinc/04/32/90/333043290.db2.gz GBUQGSPPUTYBBW-UHFFFAOYSA-N 0 1 274.707 3.598 20 0 CHADMN COc1ccc(CN[C@H]2CCc3c2cccc3F)c(F)c1 ZINC000513865643 333044643 /nfs/dbraw/zinc/04/46/43/333044643.db2.gz ILWHYUPVVXRVAT-KRWDZBQOSA-N 0 1 289.325 3.751 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1ccc(Cl)o1 ZINC000513873229 333045450 /nfs/dbraw/zinc/04/54/50/333045450.db2.gz VCQHQPASTDSSIU-ZDUSSCGKSA-N 0 1 265.715 3.849 20 0 CHADMN CCC[N@@H+](Cc1ccc(OC)nn1)[C@H](CC)c1ccccc1 ZINC000513882501 333046157 /nfs/dbraw/zinc/04/61/57/333046157.db2.gz KBJKWESJUTWUGZ-QGZVFWFLSA-N 0 1 299.418 3.849 20 0 CHADMN CO[C@@H](C[N@H+]1C[C@H](C)OC(C)(C)C1)c1ccc(Cl)cc1 ZINC000513903612 333049732 /nfs/dbraw/zinc/04/97/32/333049732.db2.gz IJRPYSDINUDEPU-WFASDCNBSA-N 0 1 297.826 3.527 20 0 CHADMN CO[C@@H](CN1C[C@H](C)OC(C)(C)C1)c1ccc(Cl)cc1 ZINC000513903612 333049734 /nfs/dbraw/zinc/04/97/34/333049734.db2.gz IJRPYSDINUDEPU-WFASDCNBSA-N 0 1 297.826 3.527 20 0 CHADMN Cc1c(Cl)c(CSc2c[nH]nn2)nc2ccccc12 ZINC000177379016 333058248 /nfs/dbraw/zinc/05/82/48/333058248.db2.gz ZFVSTVGKFBUMHG-UHFFFAOYSA-N 0 1 290.779 3.607 20 0 CHADMN CCN(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 ZINC000514006547 333059489 /nfs/dbraw/zinc/05/94/89/333059489.db2.gz LZOJPGHSTITFMK-ZDUSSCGKSA-N 0 1 288.218 3.994 20 0 CHADMN CCOc1ncccc1CN[C@@H]1CC(C)(C)c2ccccc21 ZINC000177891552 333065395 /nfs/dbraw/zinc/06/53/95/333065395.db2.gz BIQLYZLHWPBTTA-QGZVFWFLSA-N 0 1 296.414 3.993 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000177944495 333065969 /nfs/dbraw/zinc/06/59/69/333065969.db2.gz LRSDZOIUNHUMSP-HUUCEWRRSA-N 0 1 288.435 3.930 20 0 CHADMN C[C@@H]1CSC[C@@H]1N[C@H](c1ccco1)c1ccccc1 ZINC000311572719 333069954 /nfs/dbraw/zinc/06/99/54/333069954.db2.gz RGFCMSYBTXBGLS-INWMFGNUSA-N 0 1 273.401 3.710 20 0 CHADMN Cc1nc2c(n1Cc1ccccc1OC(C)C)CCCC2 ZINC000516982223 333088835 /nfs/dbraw/zinc/08/88/35/333088835.db2.gz YFLCBLJAJFIEHS-UHFFFAOYSA-N 0 1 284.403 3.906 20 0 CHADMN CN(Cc1cscc1Br)CC(C)(C)C ZINC000516995948 333089081 /nfs/dbraw/zinc/08/90/81/333089081.db2.gz HFJYVUQYVISZOM-UHFFFAOYSA-N 0 1 276.243 3.989 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000517160801 333093537 /nfs/dbraw/zinc/09/35/37/333093537.db2.gz KEUJWIRTLLKCHY-CQSZACIVSA-N 0 1 279.355 3.534 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CC[C@@H]1CCC[C@H](C)C1 ZINC000517161705 333093548 /nfs/dbraw/zinc/09/35/48/333093548.db2.gz YXAUUZDPPDTFAL-SOUVJXGZSA-N 0 1 269.429 3.634 20 0 CHADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CCCc1cccc2ccccc21 ZINC000517241938 333095667 /nfs/dbraw/zinc/09/56/67/333095667.db2.gz XODHIJKMYVKTEH-RHSMWYFYSA-N 0 1 297.398 3.567 20 0 CHADMN C[C@H](CC(=O)Nc1ccc2nc[nH]c2c1)c1ccc(F)cc1 ZINC000520998530 333109520 /nfs/dbraw/zinc/10/95/20/333109520.db2.gz DJCIQKSFBQWFGL-LLVKDONJSA-N 0 1 297.333 3.834 20 0 CHADMN CCCCN(C(=O)c1cc(-c2ccoc2)[nH]n1)[C@H](C)CC ZINC000521137091 333112358 /nfs/dbraw/zinc/11/23/58/333112358.db2.gz GLIIFNWHTLJNMX-GFCCVEGCSA-N 0 1 289.379 3.711 20 0 CHADMN C[N@@H+](CCCC(=O)[O-])Cc1cccc(Oc2ccccc2)c1 ZINC000336855859 335121979 /nfs/dbraw/zinc/12/19/79/335121979.db2.gz ZOBIWMLDFMWQMJ-UHFFFAOYSA-N 0 1 299.370 3.776 20 0 CHADMN CCCCc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1 ZINC000184170199 333125308 /nfs/dbraw/zinc/12/53/08/333125308.db2.gz UEONACNOAAKTPE-UHFFFAOYSA-N 0 1 283.375 3.882 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CCC[C@@H](C)[C@H]1C ZINC000172855088 335123714 /nfs/dbraw/zinc/12/37/14/335123714.db2.gz ZPROSPITPQUCDM-HUUCEWRRSA-N 0 1 288.435 3.869 20 0 CHADMN CCC[C@H](C)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000184639714 333130994 /nfs/dbraw/zinc/13/09/94/333130994.db2.gz YRJWUUPUKVJYSE-QWRGUYRKSA-N 0 1 277.343 3.715 20 0 CHADMN CCc1cc(C(=O)N(CC)C[C@@H](CC)c2ccccc2)n[nH]1 ZINC000185123659 333135777 /nfs/dbraw/zinc/13/57/77/333135777.db2.gz WINDVMXVJZTGDN-CQSZACIVSA-N 0 1 299.418 3.628 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(C)Cc1nc(C(C)C)no1 ZINC000172928961 335124690 /nfs/dbraw/zinc/12/46/90/335124690.db2.gz STAGICLMCLRDMO-HNNXBMFYSA-N 0 1 287.407 3.646 20 0 CHADMN COc1ccsc1[C@@H](C)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000186136465 333155461 /nfs/dbraw/zinc/15/54/61/333155461.db2.gz NKSUDBKZIOQRHZ-UONOGXRCSA-N 0 1 296.480 3.528 20 0 CHADMN COc1ccsc1[C@H](C)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000186136453 333155470 /nfs/dbraw/zinc/15/54/70/333155470.db2.gz NKSUDBKZIOQRHZ-KGLIPLIRSA-N 0 1 296.480 3.528 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@H]2N[C@@H](CCO)c1ccco1 ZINC000186291605 333158284 /nfs/dbraw/zinc/15/82/84/333158284.db2.gz NZFWYFUNTAXBBU-DLBZAZTESA-N 0 1 299.414 3.987 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@H](O)CC(C)(C)C)cs1 ZINC000186344096 333159036 /nfs/dbraw/zinc/15/90/36/333159036.db2.gz DBAZIUWYQRYBGD-VXGBXAGGSA-N 0 1 284.469 3.714 20 0 CHADMN CC(C)[C@H](N[C@@H](C)CCC1CC1)c1nc(C2CC2)no1 ZINC000186406265 333160146 /nfs/dbraw/zinc/16/01/46/333160146.db2.gz DZSWVYZMLLQYLN-FZMZJTMJSA-N 0 1 277.412 3.812 20 0 CHADMN CC(C)c1nc([C@H](C)NCC(C)(C)[C@H](O)C(C)C)cs1 ZINC000186432457 333160632 /nfs/dbraw/zinc/16/06/32/333160632.db2.gz RCHWVLIQIRCOPY-GXTWGEPZSA-N 0 1 298.496 3.960 20 0 CHADMN CC(C)OC1CC(N[C@H](c2ccco2)c2ccccc2)C1 ZINC000186549943 333162778 /nfs/dbraw/zinc/16/27/78/333162778.db2.gz POFWOYLOFKGUJQ-HTWSVDAQSA-N 0 1 285.387 3.915 20 0 CHADMN Cc1cc(C)c2c(c1)C[N@H+](Cc1ncccc1C)CC2 ZINC000186729644 333164836 /nfs/dbraw/zinc/16/48/36/333164836.db2.gz KTMJKFKDNOOHSR-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN Cc1cc(C)c2c(c1)CN(Cc1ncccc1C)CC2 ZINC000186729644 333164837 /nfs/dbraw/zinc/16/48/37/333164837.db2.gz KTMJKFKDNOOHSR-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1ccc(F)cc1C(=O)[O-])C1CC1 ZINC000521633550 333180575 /nfs/dbraw/zinc/18/05/75/333180575.db2.gz GPOZPHJOMYBUKD-NEPJUHHUSA-N 0 1 293.382 3.923 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc3c(n2)CCC3)cc1 ZINC000564178906 333184173 /nfs/dbraw/zinc/18/41/73/333184173.db2.gz XYOSSJSGHHFXNK-AWEZNQCLSA-N 0 1 266.388 3.730 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CC[C@H](C)[C@H]3C)n[nH]2)c(C)c1 ZINC000189202672 333184662 /nfs/dbraw/zinc/18/46/62/333184662.db2.gz AJELZYWKKKLIOO-GXTWGEPZSA-N 0 1 297.402 3.564 20 0 CHADMN CC(C)CN(Cc1noc(C(C)(C)C)n1)C1CCCC1 ZINC000521821543 333190378 /nfs/dbraw/zinc/19/03/78/333190378.db2.gz JBBFKBQKLMZEFZ-UHFFFAOYSA-N 0 1 279.428 3.768 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190912902 333212175 /nfs/dbraw/zinc/21/21/75/333212175.db2.gz YWUFUSODKJNFSK-MXWKQRLJSA-N 0 1 288.218 3.615 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)N1C[C@@H](C)[C@H](CO)C1 ZINC000190912902 333212176 /nfs/dbraw/zinc/21/21/76/333212176.db2.gz YWUFUSODKJNFSK-MXWKQRLJSA-N 0 1 288.218 3.615 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)o1 ZINC000191661527 333223157 /nfs/dbraw/zinc/22/31/57/333223157.db2.gz OTMUNPZXZUBTRP-GFCCVEGCSA-N 0 1 275.314 3.998 20 0 CHADMN CC(C)(C)c1noc(CN2CCC[C@@H]2Cc2ccccc2)n1 ZINC000192670536 333237681 /nfs/dbraw/zinc/23/76/81/333237681.db2.gz WDVLPIDRLWPUCR-OAHLLOKOSA-N 0 1 299.418 3.574 20 0 CHADMN COc1ccc(CNCc2sccc2Cl)cc1F ZINC000192992775 333241204 /nfs/dbraw/zinc/24/12/04/333241204.db2.gz YINWJNTXUIUMSP-UHFFFAOYSA-N 0 1 285.771 3.839 20 0 CHADMN CC[C@H](C)N(Cc1cn2cccnc2n1)Cc1ccccc1 ZINC000193136151 333243535 /nfs/dbraw/zinc/24/35/35/333243535.db2.gz CASLMABMRZRECP-HNNXBMFYSA-N 0 1 294.402 3.530 20 0 CHADMN C[C@@H](N[C@H]1COCc2ccccc21)c1ccccc1 ZINC000225973863 333243904 /nfs/dbraw/zinc/24/39/04/333243904.db2.gz LVXNRBATFWXSAH-DYVFJYSZSA-N 0 1 253.345 3.609 20 0 CHADMN c1cc2c(o1)CCC[C@H]2N[C@@H]1COCc2ccccc21 ZINC000225981731 333244191 /nfs/dbraw/zinc/24/41/91/333244191.db2.gz NAHYLKCTINYDMH-HZPDHXFCSA-N 0 1 269.344 3.518 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H]2COCc3ccccc32)cc1 ZINC000226003714 333245195 /nfs/dbraw/zinc/24/51/95/333245195.db2.gz RRAZSSFRUBITBY-FZKQIMNGSA-N 0 1 283.371 3.617 20 0 CHADMN CCN(Cc1cnn(C)c1)Cc1ccc2ccccc2c1 ZINC000195108593 333245644 /nfs/dbraw/zinc/24/56/44/333245644.db2.gz QVUNAOWLUFOKFX-UHFFFAOYSA-N 0 1 279.387 3.595 20 0 CHADMN C[C@@H]1CC[C@H](NC(=O)c2ccc(O)c(Cl)c2)[C@@H](C)C1 ZINC000226204414 333253837 /nfs/dbraw/zinc/25/38/37/333253837.db2.gz OYXPWZKDWZDAKL-NRUUGDAUSA-N 0 1 281.783 3.600 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnn(C(C)C)c2)c(C)s1 ZINC000226239932 333254767 /nfs/dbraw/zinc/25/47/67/333254767.db2.gz HQUQMSWYPKRMNC-GFCCVEGCSA-N 0 1 277.437 3.993 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2CCOCC(F)(F)F)c1 ZINC000194329642 333269148 /nfs/dbraw/zinc/26/91/48/333269148.db2.gz WJXUGNFAPZDTIR-AWEZNQCLSA-N 0 1 287.325 3.711 20 0 CHADMN Cc1ccc(NC(=O)c2cc(C)cc3cn[nH]c32)c(C)c1 ZINC000522481351 333288049 /nfs/dbraw/zinc/28/80/49/333288049.db2.gz KANRLYINFPVFTB-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)c1C ZINC000522853580 333296889 /nfs/dbraw/zinc/29/68/89/333296889.db2.gz RRTQHHMMVHSNJM-GFCCVEGCSA-N 0 1 299.418 3.513 20 0 CHADMN Cc1ccc(C)c(NC(=O)c2cc(C)cc3cn[nH]c32)c1 ZINC000523287535 333314641 /nfs/dbraw/zinc/31/46/41/333314641.db2.gz MTLYOYRVUVXMDQ-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN Fc1ccc(-c2nc(CN[C@H]3CCSC3)cs2)cc1 ZINC000230704072 333321367 /nfs/dbraw/zinc/32/13/67/333321367.db2.gz ZCFSOUATCDNEGN-LBPRGKRZSA-N 0 1 294.420 3.544 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)c1cc(Cl)sc1Cl ZINC000230950541 333322990 /nfs/dbraw/zinc/32/29/90/333322990.db2.gz YZQZCYZFVBKIGA-CNUIFLNQSA-N 0 1 294.247 3.865 20 0 CHADMN CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000300282459 333324354 /nfs/dbraw/zinc/32/43/54/333324354.db2.gz CVJLNIDNHAVCGE-NVXWUHKLSA-N 0 1 293.382 3.710 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](CCc1ccc2ccccc2c1)C1CCC1 ZINC000575936461 335133763 /nfs/dbraw/zinc/13/37/63/335133763.db2.gz VDBOYDYLCCKXPO-CQSZACIVSA-N 0 1 297.398 3.710 20 0 CHADMN C[C@@H](N[C@@H](C)CC(F)(F)F)c1nc2ccccc2n1C ZINC000231790958 333329663 /nfs/dbraw/zinc/32/96/63/333329663.db2.gz HVNLLOMFIZZCQQ-VHSXEESVSA-N 0 1 285.313 3.565 20 0 CHADMN C[C@@H](CC(F)(F)F)N[C@@H](C)c1nc2ccccc2n1C ZINC000231790952 333329712 /nfs/dbraw/zinc/32/97/12/333329712.db2.gz HVNLLOMFIZZCQQ-UWVGGRQHSA-N 0 1 285.313 3.565 20 0 CHADMN CC[C@H]1CCCN1CC(=O)Nc1ccccc1C(C)(C)C ZINC000523605666 333333732 /nfs/dbraw/zinc/33/37/32/333333732.db2.gz IYWHNPNOLSCQKH-AWEZNQCLSA-N 0 1 288.435 3.797 20 0 CHADMN CCCCc1nc(CN(C)C[C@@H](C)CC)cs1 ZINC000523607735 333334177 /nfs/dbraw/zinc/33/41/77/333334177.db2.gz TUUINHSDZFXJQA-LBPRGKRZSA-N 0 1 254.443 3.964 20 0 CHADMN CC[C@H]1COCCN1Cc1ccc(C(C)(C)C)cc1 ZINC000523789191 333345499 /nfs/dbraw/zinc/34/54/99/333345499.db2.gz AZXOHTXRELFIRZ-INIZCTEOSA-N 0 1 261.409 3.595 20 0 CHADMN CCCc1noc(CN2CCC[C@@H](C(C)(C)C)CC2)n1 ZINC000523859219 333348160 /nfs/dbraw/zinc/34/81/60/333348160.db2.gz YQMAPCXWIYWXGX-CYBMUJFWSA-N 0 1 279.428 3.670 20 0 CHADMN COC[C@H](N[C@@H](C)c1cc(C)oc1C)c1ccccc1 ZINC000234721863 333361841 /nfs/dbraw/zinc/36/18/41/333361841.db2.gz LDZWVAQQBAJTHF-GUYCJALGSA-N 0 1 273.376 3.935 20 0 CHADMN COC[C@@H](N[C@@H](C)c1cc(C)oc1C)c1ccccc1 ZINC000234734359 333361890 /nfs/dbraw/zinc/36/18/90/333361890.db2.gz LDZWVAQQBAJTHF-SUMWQHHRSA-N 0 1 273.376 3.935 20 0 CHADMN CCCCc1noc(CN2CCC[C@@H](C(C)C)CC2)n1 ZINC000524483508 333363115 /nfs/dbraw/zinc/36/31/15/333363115.db2.gz WQQKQDNKGRWLQZ-CQSZACIVSA-N 0 1 279.428 3.670 20 0 CHADMN CCN(Cc1ncc(-c2ccc(OC)cc2)o1)C1CCC1 ZINC000524593848 333367592 /nfs/dbraw/zinc/36/75/92/333367592.db2.gz USXIJXZXSIUIST-UHFFFAOYSA-N 0 1 286.375 3.725 20 0 CHADMN COC(=O)c1cc(CN[C@H](c2ccccc2)C2CC2)oc1C ZINC000237079259 333377436 /nfs/dbraw/zinc/37/74/36/333377436.db2.gz MOCJQADXMCYZHN-QGZVFWFLSA-N 0 1 299.370 3.616 20 0 CHADMN CC[C@H]1CN(Cc2ccccc2Cl)CCS1 ZINC000524752800 333386366 /nfs/dbraw/zinc/38/63/66/333386366.db2.gz BRDNGODUNVXBOR-LBPRGKRZSA-N 0 1 255.814 3.667 20 0 CHADMN CC[C@H]1CN(Cc2ccc3ccccc3c2)C[C@@H](C)O1 ZINC000524811818 333388956 /nfs/dbraw/zinc/38/89/56/333388956.db2.gz RYZSOFNSMWMPNL-KDOFPFPSSA-N 0 1 269.388 3.839 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1ncc(-c2cccs2)o1 ZINC000524892782 333392361 /nfs/dbraw/zinc/39/23/61/333392361.db2.gz MXPWEJJKXJVZGS-WDEREUQCSA-N 0 1 262.378 3.633 20 0 CHADMN CCSCCN(CC)Cc1ccccc1Cl ZINC000525121072 333399563 /nfs/dbraw/zinc/39/95/63/333399563.db2.gz OXTDMAGMPLDKQK-UHFFFAOYSA-N 0 1 257.830 3.915 20 0 CHADMN C[C@@H](NC[C@H](O)C1CCC1)c1cc(Cl)sc1Cl ZINC000316809168 333404882 /nfs/dbraw/zinc/40/48/82/333404882.db2.gz SXNQXAZWLQGWNA-XCBNKYQSSA-N 0 1 294.247 3.867 20 0 CHADMN CC(C)[C@@H](CC(F)(F)F)NCc1ncccc1Cl ZINC000528469141 333439861 /nfs/dbraw/zinc/43/98/61/333439861.db2.gz COYDPIRHZIAMNZ-SNVBAGLBSA-N 0 1 280.721 3.802 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cccc(O)c2)cc1F ZINC000037074651 333473866 /nfs/dbraw/zinc/47/38/66/333473866.db2.gz DXSSJKQOHYDEDT-NWDGAFQWSA-N 0 1 289.350 3.952 20 0 CHADMN COCCC1CCN(C/C=C/c2ccc(F)cc2F)CC1 ZINC000529637893 333502783 /nfs/dbraw/zinc/50/27/83/333502783.db2.gz IZJPRUQLVKYKKQ-NSCUHMNNSA-N 0 1 295.373 3.727 20 0 CHADMN Cc1ccoc1CNCc1nc(C(C)C)n2ccccc12 ZINC000576045918 335145501 /nfs/dbraw/zinc/14/55/01/335145501.db2.gz WCYFTXJOFRNRSJ-UHFFFAOYSA-N 0 1 283.375 3.649 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1cscn1 ZINC000173994344 335145907 /nfs/dbraw/zinc/14/59/07/335145907.db2.gz DFLYBYMFBQRYBO-INIZCTEOSA-N 0 1 274.433 3.905 20 0 CHADMN CC(C)CC[C@@](C)(O)CNCc1csc(C(C)(C)C)n1 ZINC000124028262 333555494 /nfs/dbraw/zinc/55/54/94/333555494.db2.gz BTWRNDHBBZBXHE-MRXNPFEDSA-N 0 1 298.496 3.717 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2csc(-c3ccccn3)n2)C1 ZINC000124160939 333556668 /nfs/dbraw/zinc/55/66/68/333556668.db2.gz GITHIOSSQLBNJM-CHWSQXEVSA-N 0 1 287.432 3.683 20 0 CHADMN COc1ccc(CN[C@@H](c2ccc(C)o2)C2CCC2)cn1 ZINC000576075082 335149809 /nfs/dbraw/zinc/14/98/09/335149809.db2.gz BLOJNCJHRAYRAK-QGZVFWFLSA-N 0 1 286.375 3.623 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(C)cn2)c(C)s1 ZINC000126963192 333614333 /nfs/dbraw/zinc/61/43/33/333614333.db2.gz DSGVZHAENNJIMS-GFCCVEGCSA-N 0 1 260.406 3.919 20 0 CHADMN CC[C@@H](C)CNc1ccccc1CN1CCSCC1 ZINC000538967252 333647135 /nfs/dbraw/zinc/64/71/35/333647135.db2.gz FIYAAHQZYJOWNF-CQSZACIVSA-N 0 1 278.465 3.693 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cncs2)cc1F ZINC000128605487 333690800 /nfs/dbraw/zinc/69/08/00/333690800.db2.gz SFRPGHHGTMWSBO-UWVGGRQHSA-N 0 1 280.368 3.703 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](CO)c2ccccc2C)cs1 ZINC000576109202 335155737 /nfs/dbraw/zinc/15/57/37/335155737.db2.gz CAPLIFLTNDDKQB-BBRMVZONSA-N 0 1 275.417 3.749 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1cc2ccccc2o1 ZINC000540192919 333720036 /nfs/dbraw/zinc/72/00/36/333720036.db2.gz ROKOKHSFGWZOMD-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN CC[C@@H](NCc1nnc(C2CC2)o1)C(C)(C)c1ccccc1 ZINC000540522726 333733681 /nfs/dbraw/zinc/73/36/81/333733681.db2.gz WHNZTZCOQYJODV-OAHLLOKOSA-N 0 1 299.418 3.793 20 0 CHADMN COCC[C@H](NCc1ccnc2ccccc12)c1ccco1 ZINC000540941818 333754484 /nfs/dbraw/zinc/75/44/84/333754484.db2.gz COWIZDFJNPEVGN-KRWDZBQOSA-N 0 1 296.370 3.695 20 0 CHADMN Cc1oncc1CN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000129690409 333788089 /nfs/dbraw/zinc/78/80/89/333788089.db2.gz YWYICYGXWROBME-SECBINFHSA-N 0 1 284.281 3.853 20 0 CHADMN C[C@@H]1CN(C/C=C/c2ccc(F)cc2F)C[C@@H](C)S1 ZINC000541772761 333791943 /nfs/dbraw/zinc/79/19/43/333791943.db2.gz LCMQXLGWLJSBSN-BLDJZWNYSA-N 0 1 283.387 3.804 20 0 CHADMN CCCCOc1cc(CNCc2ccoc2)ccc1OC ZINC000069833056 333793725 /nfs/dbraw/zinc/79/37/25/333793725.db2.gz BPLNPLCMCZMRIN-UHFFFAOYSA-N 0 1 289.375 3.757 20 0 CHADMN CCCCOCCN[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000542582421 333833093 /nfs/dbraw/zinc/83/30/93/333833093.db2.gz GMAKYKQGBUGHRP-GFCCVEGCSA-N 0 1 284.469 3.908 20 0 CHADMN Cc1ccc([C@@H](NCc2cccnc2)C2CCC2)o1 ZINC000542674685 333836144 /nfs/dbraw/zinc/83/61/44/333836144.db2.gz VGZFDKJTTKDXQV-INIZCTEOSA-N 0 1 256.349 3.614 20 0 CHADMN C[C@H]1CCN(C(=O)c2c(O)cccc2F)c2ccccc21 ZINC000131728102 333964481 /nfs/dbraw/zinc/96/44/81/333964481.db2.gz CTNYHWYLFRMEAJ-NSHDSACASA-N 0 1 285.318 3.685 20 0 CHADMN Cc1ncsc1CN[C@H]1CCCOc2cc(C)ccc21 ZINC000132367928 333978607 /nfs/dbraw/zinc/97/86/07/333978607.db2.gz AYBASUYNBILXCN-AWEZNQCLSA-N 0 1 288.416 3.763 20 0 CHADMN CCCC[C@@H]1CCC[C@@H]1NCc1nc(C(C)(C)C)no1 ZINC000545884880 334004081 /nfs/dbraw/zinc/00/40/81/334004081.db2.gz SJMCKQQSKVQTRR-OLZOCXBDSA-N 0 1 279.428 3.816 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccsc1)c1ccc(Cl)c(F)c1 ZINC000546017604 334012580 /nfs/dbraw/zinc/01/25/80/334012580.db2.gz DULBHPZDIBAESG-XPTSAGLGSA-N 0 1 299.798 3.925 20 0 CHADMN CCN(CCC1CC1)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000546226787 334020592 /nfs/dbraw/zinc/02/05/92/334020592.db2.gz HTPCKNTWVBMLBL-LLVKDONJSA-N 0 1 265.401 3.550 20 0 CHADMN CCc1ccc([C@@H]2CN(CC3(SC)CC3)CCO2)cc1 ZINC000564302292 334030348 /nfs/dbraw/zinc/03/03/48/334030348.db2.gz UTPKYTGZNQKAEB-INIZCTEOSA-N 0 1 291.460 3.518 20 0 CHADMN C[C@@H](c1noc(-c2cccc(-c3nnc[nH]3)c2)n1)C(C)(C)C ZINC000546423093 334031970 /nfs/dbraw/zinc/03/19/70/334031970.db2.gz QTSVIVQEERKJIQ-JTQLQIEISA-N 0 1 297.362 3.671 20 0 CHADMN Cc1cc(-c2noc(C=CC3CCC3)n2)cc2nc[nH]c21 ZINC000546433392 334032488 /nfs/dbraw/zinc/03/24/88/334032488.db2.gz RNNDPRXOKLVGQE-AATRIKPKSA-N 0 1 280.331 3.735 20 0 CHADMN CC(C)=C(F)c1nc(Cc2nc3cccc(C)c3[nH]2)no1 ZINC000546436260 334032531 /nfs/dbraw/zinc/03/25/31/334032531.db2.gz PWWWTSMLPOOJPJ-UHFFFAOYSA-N 0 1 286.310 3.566 20 0 CHADMN CC[C@@]1(C)CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000075213372 334037272 /nfs/dbraw/zinc/03/72/72/334037272.db2.gz HLADJCBZXWKACR-HNNXBMFYSA-N 0 1 281.783 3.698 20 0 CHADMN Cc1nn(C(C)C)cc1CNCc1cc2ccccc2o1 ZINC000546613800 334040408 /nfs/dbraw/zinc/04/04/08/334040408.db2.gz UKYUQDNXHNHLJH-UHFFFAOYSA-N 0 1 283.375 3.808 20 0 CHADMN C[C@@H](c1cnccn1)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000546644131 334042918 /nfs/dbraw/zinc/04/29/18/334042918.db2.gz YZEIAHXGVBNFNA-AWEZNQCLSA-N 0 1 283.419 3.967 20 0 CHADMN Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000075768793 334050813 /nfs/dbraw/zinc/05/08/13/334050813.db2.gz FVHYXPJTUFJXPI-WBVHZDCISA-N 0 1 286.419 3.506 20 0 CHADMN C[C@H](O)CCN(C)Cc1sc2ccccc2c1Cl ZINC000075777773 334051028 /nfs/dbraw/zinc/05/10/28/334051028.db2.gz VWNGGXDMODEQFU-JTQLQIEISA-N 0 1 283.824 3.757 20 0 CHADMN CC(C)C1CCN(Cc2nc3ccccc3o2)CC1 ZINC000075833280 334053330 /nfs/dbraw/zinc/05/33/30/334053330.db2.gz KIFQVXAUTZHCHH-UHFFFAOYSA-N 0 1 258.365 3.696 20 0 CHADMN CC[C@H](CC(F)(F)F)N=c1[nH]c(C(F)(F)F)cs1 ZINC000546883129 334053648 /nfs/dbraw/zinc/05/36/48/334053648.db2.gz HUXDXBAXQFMJET-RXMQYKEDSA-N 0 1 292.248 3.727 20 0 CHADMN CCn1ccnc1CN(C)CC(C)(C)c1ccc(C)cc1 ZINC000075861637 334055156 /nfs/dbraw/zinc/05/51/56/334055156.db2.gz FNSSWVXNRAKMJM-UHFFFAOYSA-N 0 1 285.435 3.621 20 0 CHADMN CC(C)OCCNCc1cc(Cl)ccc1Cl ZINC000134128095 334081016 /nfs/dbraw/zinc/08/10/16/334081016.db2.gz QWJOLPUGWCJPNJ-UHFFFAOYSA-N 0 1 262.180 3.508 20 0 CHADMN CC1(C)CCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000076015578 334066335 /nfs/dbraw/zinc/06/63/35/334066335.db2.gz QLQRTCFSALGVNA-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN CC[C@@H]1CC[C@@H](c2nc(-c3cc4nc[nH]c4c(C)c3)no2)O1 ZINC000547137398 334068597 /nfs/dbraw/zinc/06/85/97/334068597.db2.gz IPAYPMFWZNDCKN-YPMHNXCESA-N 0 1 298.346 3.551 20 0 CHADMN CC1CCC(Cc2nc(-c3ccc4[nH]cnc4c3)no2)CC1 ZINC000547146874 334069168 /nfs/dbraw/zinc/06/91/68/334069168.db2.gz LIYNQADUBQSFEE-UHFFFAOYSA-N 0 1 296.374 3.982 20 0 CHADMN C[C@@H]1CCC[C@@H](Cc2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000547159380 334069838 /nfs/dbraw/zinc/06/98/38/334069838.db2.gz HWRFKTOPJUPPAV-VXGBXAGGSA-N 0 1 296.374 3.982 20 0 CHADMN CCS[C@H]1CC[C@@H](N(C)Cc2ccncc2Cl)C1 ZINC000076070544 334069891 /nfs/dbraw/zinc/06/98/91/334069891.db2.gz LLJRORQZMAJGGX-OLZOCXBDSA-N 0 1 284.856 3.841 20 0 CHADMN C[C@@H]1CCCN1Cc1csc(-c2ccc(F)cc2)n1 ZINC000076114789 334073155 /nfs/dbraw/zinc/07/31/55/334073155.db2.gz CYKKZFPCZIEEDZ-LLVKDONJSA-N 0 1 276.380 3.934 20 0 CHADMN COc1cccc(CNCc2cccc3c2OC(C)(C)C3)c1 ZINC000134268706 334086006 /nfs/dbraw/zinc/08/60/06/334086006.db2.gz RZYPFYLWCKWIEO-UHFFFAOYSA-N 0 1 297.398 3.699 20 0 CHADMN C[C@H](NCc1cccc2c1OC(C)(C)C2)c1cccc(O)c1 ZINC000134268486 334086150 /nfs/dbraw/zinc/08/61/50/334086150.db2.gz JHRCNSNCAPQYOY-ZDUSSCGKSA-N 0 1 297.398 3.957 20 0 CHADMN CCCN(CC(=O)Nc1ccccc1C)[C@@H]1C=CCCC1 ZINC000076668525 334087004 /nfs/dbraw/zinc/08/70/04/334087004.db2.gz UCTMFGJRDSKJIE-MRXNPFEDSA-N 0 1 286.419 3.754 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNCCOCc2ccccc2)o1 ZINC000237361976 334087452 /nfs/dbraw/zinc/08/74/52/334087452.db2.gz HVSNGNZOWYCBRV-PBHICJAKSA-N 0 1 285.387 3.709 20 0 CHADMN Cc1ccccc1CN[C@H](C)c1nc2c(s1)CCC2 ZINC000134677095 334099995 /nfs/dbraw/zinc/09/99/95/334099995.db2.gz PZTIJPQDONMLHO-GFCCVEGCSA-N 0 1 272.417 3.791 20 0 CHADMN CCN(Cc1cc(C)ccc1OC)[C@H](C)c1cccnc1 ZINC000564324266 334100362 /nfs/dbraw/zinc/10/03/62/334100362.db2.gz UJFFOERWJJQWBH-OAHLLOKOSA-N 0 1 284.403 3.982 20 0 CHADMN c1ccc([C@@H]2CCCC[C@@H]2NCc2nnc(C3CC3)o2)cc1 ZINC000547559957 334101039 /nfs/dbraw/zinc/10/10/39/334101039.db2.gz AWEQGOOSQXZWDW-HOTGVXAUSA-N 0 1 297.402 3.763 20 0 CHADMN Cc1ccccc1[C@H](C(C)C)N(C)Cc1ccon1 ZINC000077312538 334102084 /nfs/dbraw/zinc/10/20/84/334102084.db2.gz FMBJYNFSGPNYFK-INIZCTEOSA-N 0 1 258.365 3.812 20 0 CHADMN CC[C@@H]1CCCCCN1Cc1ccc(Br)cn1 ZINC000134911831 334108116 /nfs/dbraw/zinc/10/81/16/334108116.db2.gz RIHGNRXIBXZMLE-CQSZACIVSA-N 0 1 297.240 3.999 20 0 CHADMN Cc1ccc2nc(SCC(=O)C3CCCC3)[nH]c2c1 ZINC000135027308 334112583 /nfs/dbraw/zinc/11/25/83/334112583.db2.gz GGSMJQZAEAQJFS-UHFFFAOYSA-N 0 1 274.389 3.723 20 0 CHADMN c1cc(CSc2n[nH]c(CCC3CCCC3)n2)ccn1 ZINC000077902268 334118259 /nfs/dbraw/zinc/11/82/59/334118259.db2.gz ZJWLDCWXUSJYDS-UHFFFAOYSA-N 0 1 288.420 3.615 20 0 CHADMN c1cc(CSc2nc(CCC3CCCC3)n[nH]2)ccn1 ZINC000077902268 334118260 /nfs/dbraw/zinc/11/82/60/334118260.db2.gz ZJWLDCWXUSJYDS-UHFFFAOYSA-N 0 1 288.420 3.615 20 0 CHADMN c1csc(-c2nc(CN[C@H]3[C@@H]4CCC[C@@H]43)cs2)c1 ZINC000576241804 335177067 /nfs/dbraw/zinc/17/70/67/335177067.db2.gz FOOXRTUSNSQZFG-PJXYFTJBSA-N 0 1 276.430 3.760 20 0 CHADMN Cc1cc(OCCc2ccc(F)c(F)c2)cc(C)n1 ZINC000547814373 334121700 /nfs/dbraw/zinc/12/17/00/334121700.db2.gz NDNKHLAEBAGZSL-UHFFFAOYSA-N 0 1 263.287 3.598 20 0 CHADMN CCc1ccc(-c2noc(CN(C)CCC3CC3)n2)cc1 ZINC000135266107 334122832 /nfs/dbraw/zinc/12/28/32/334122832.db2.gz UIVCKGVQPQEKBR-UHFFFAOYSA-N 0 1 285.391 3.531 20 0 CHADMN CN(CCC1CC1)CC(=O)Nc1cccc2ccccc21 ZINC000135286755 334123640 /nfs/dbraw/zinc/12/36/40/334123640.db2.gz WQOQFPXXVMGWHM-UHFFFAOYSA-N 0 1 282.387 3.510 20 0 CHADMN CN(Cc1nccn1Cc1ccccc1)C1CCCCC1 ZINC000078338423 334131490 /nfs/dbraw/zinc/13/14/90/334131490.db2.gz VHOFETWERXCTDE-UHFFFAOYSA-N 0 1 283.419 3.696 20 0 CHADMN Fc1ccccc1-c1n[nH]c(SCCC2CC2)n1 ZINC000548149037 334142943 /nfs/dbraw/zinc/14/29/43/334142943.db2.gz VNYVFZLKPUCJTK-UHFFFAOYSA-N 0 1 263.341 3.503 20 0 CHADMN CCCCN(CCCC)Cc1nccn1C(F)F ZINC000079031631 334146185 /nfs/dbraw/zinc/14/61/85/334146185.db2.gz ZSOPHIMIGFWNFR-UHFFFAOYSA-N 0 1 259.344 3.680 20 0 CHADMN CC(C)[C@H]1CCCC[C@H]1NCc1ncn(-c2ccccc2)n1 ZINC000548442356 334156543 /nfs/dbraw/zinc/15/65/43/334156543.db2.gz OCSBHEGLDVQUHP-IAGOWNOFSA-N 0 1 298.434 3.572 20 0 CHADMN C[C@@H]1c2c(F)cccc2CCN1C[C@@H]1CCC(C)(C)O1 ZINC000548485173 334159596 /nfs/dbraw/zinc/15/95/96/334159596.db2.gz UFMWUOVJEJZLQR-OCCSQVGLSA-N 0 1 277.383 3.702 20 0 CHADMN CC[C@]1(C)COCCN1Cc1csc2ccccc12 ZINC000548504815 334161242 /nfs/dbraw/zinc/16/12/42/334161242.db2.gz OAMGEZOXKCCRJV-MRXNPFEDSA-N 0 1 275.417 3.902 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cc(F)c(F)cc1F ZINC000136938275 334165672 /nfs/dbraw/zinc/16/56/72/334165672.db2.gz ZJRKHELHEJHXRO-UHFFFAOYSA-N 0 1 297.280 3.511 20 0 CHADMN CN(Cc1cc[nH]n1)CC1CCC(c2ccccc2)CC1 ZINC000548732494 334167684 /nfs/dbraw/zinc/16/76/84/334167684.db2.gz ORVAPUMSBIZIBH-UHFFFAOYSA-N 0 1 283.419 3.816 20 0 CHADMN C[C@H]1C[C@H](C)N1Cc1ccc(Cl)c2cccnc12 ZINC000548753217 334169751 /nfs/dbraw/zinc/16/97/51/334169751.db2.gz OZGHJOLAFZPCCH-QWRGUYRKSA-N 0 1 260.768 3.871 20 0 CHADMN c1cc(CNC(c2ccccc2)c2ccccc2)c[nH]1 ZINC000080777867 334173172 /nfs/dbraw/zinc/17/31/72/334173172.db2.gz INBZZGIOCURYGF-UHFFFAOYSA-N 0 1 262.356 3.894 20 0 CHADMN Cc1ccc2nc(NC(=O)CCc3ccccc3C)[nH]c2c1 ZINC000564357558 334174862 /nfs/dbraw/zinc/17/48/62/334174862.db2.gz SYUSMDJDDKRBOR-UHFFFAOYSA-N 0 1 293.370 3.751 20 0 CHADMN COc1ccc(CN(C)C/C(C)=C\c2ccccc2)nc1 ZINC000548936820 334181052 /nfs/dbraw/zinc/18/10/52/334181052.db2.gz NOGXWADASFJRDU-PTNGSMBKSA-N 0 1 282.387 3.626 20 0 CHADMN C[C@@H](c1cccc2ccccc21)N1CCC(=O)[C@@H](C)C1 ZINC000549066191 334184268 /nfs/dbraw/zinc/18/42/68/334184268.db2.gz MXLUXRNWXFJKCD-KBPBESRZSA-N 0 1 267.372 3.812 20 0 CHADMN C[C@H]1Cc2ccccc2C[N@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000549140064 334186234 /nfs/dbraw/zinc/18/62/34/334186234.db2.gz VWAYPFHNZLMOHX-MAUKXSAKSA-N 0 1 285.431 3.925 20 0 CHADMN C[C@H]1CN(Cc2sccc2Cl)C[C@H](C)S1 ZINC000549348984 334190758 /nfs/dbraw/zinc/19/07/58/334190758.db2.gz NZUMVCHJQWTXDO-IUCAKERBSA-N 0 1 261.843 3.727 20 0 CHADMN CO[C@@H](C[N@H+]1Cc2ccccc2C2(CC2)C1)c1ccccc1 ZINC000549391849 334192307 /nfs/dbraw/zinc/19/23/07/334192307.db2.gz PUANJKIDOOGZNK-IBGZPJMESA-N 0 1 293.410 3.922 20 0 CHADMN Fc1ccc2c(c1)[C@@H]([N@H+]1CC[C@H](OC(F)F)C1)CCC2 ZINC000549409021 334192938 /nfs/dbraw/zinc/19/29/38/334192938.db2.gz JTVZQWWAMVIYLC-JSGCOSHPSA-N 0 1 285.309 3.517 20 0 CHADMN COc1ccc(CN2CC(C)C2)cc1OCc1ccccc1 ZINC000549409389 334192956 /nfs/dbraw/zinc/19/29/56/334192956.db2.gz DJLOIVJFEIQDSI-UHFFFAOYSA-N 0 1 297.398 3.726 20 0 CHADMN CC(C)(C)c1n[nH]c(SC[C@H]2CCC(F)(F)C2)n1 ZINC000549619190 334199775 /nfs/dbraw/zinc/19/97/75/334199775.db2.gz YCDHELDTPIHEKR-QMMMGPOBSA-N 0 1 275.368 3.630 20 0 CHADMN CC(C)(C)c1nc(SC[C@H]2CCC(F)(F)C2)n[nH]1 ZINC000549619190 334199776 /nfs/dbraw/zinc/19/97/76/334199776.db2.gz YCDHELDTPIHEKR-QMMMGPOBSA-N 0 1 275.368 3.630 20 0 CHADMN CCOC(=O)CC[C@@H](C)Sc1nc2ccc(C)cc2[nH]1 ZINC000549621271 334199915 /nfs/dbraw/zinc/19/99/15/334199915.db2.gz PNMPJZVZXJPMDY-LLVKDONJSA-N 0 1 292.404 3.695 20 0 CHADMN CC[C@@H](C(=O)N(C)c1ccccc1)N(C)Cc1ccccc1 ZINC000549738153 334203377 /nfs/dbraw/zinc/20/33/77/334203377.db2.gz LWCHGFSWUZCWGC-SFHVURJKSA-N 0 1 296.414 3.560 20 0 CHADMN CC[C@H](O)CN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000246952324 334272574 /nfs/dbraw/zinc/27/25/74/334272574.db2.gz BKPCAAVCPZAEGH-FZMZJTMJSA-N 0 1 288.218 3.901 20 0 CHADMN Cc1sccc1CN[C@H](C)c1cnn(C(C)C)c1 ZINC000550142842 334214286 /nfs/dbraw/zinc/21/42/86/334214286.db2.gz JUSBIDLVSPHGGB-LLVKDONJSA-N 0 1 263.410 3.685 20 0 CHADMN C[C@H](CNCc1conc1Cc1ccccc1)C(F)(F)F ZINC000550200236 334215895 /nfs/dbraw/zinc/21/58/95/334215895.db2.gz ZKJZCLGLZJZJMP-LLVKDONJSA-N 0 1 298.308 3.553 20 0 CHADMN COc1cc(C)nc(CNCc2cc3ccccc3s2)c1 ZINC000550229948 334216934 /nfs/dbraw/zinc/21/69/34/334216934.db2.gz UVMZKFKWCBODLW-UHFFFAOYSA-N 0 1 298.411 3.903 20 0 CHADMN CC[C@H](C)CN(CC)[C@H](C)c1nc(C(C)C)no1 ZINC000245778909 334219266 /nfs/dbraw/zinc/21/92/66/334219266.db2.gz LXPZOYWFCSHEIO-NWDGAFQWSA-N 0 1 253.390 3.622 20 0 CHADMN CC(=O)c1c(C)cc(C)c(CN2C[C@@H](C)[C@@H]2C)c1C ZINC000550306027 334219705 /nfs/dbraw/zinc/21/97/05/334219705.db2.gz OIBNANQOLJMBNV-OCCSQVGLSA-N 0 1 259.393 3.655 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Cl)c3cccnc23)[C@@H]1C ZINC000550312500 334219760 /nfs/dbraw/zinc/21/97/60/334219760.db2.gz ZGPLCVURQCILKX-GHMZBOCLSA-N 0 1 260.768 3.728 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@H](C)c2csc(CC)n2)C1(C)C ZINC000245844408 334221172 /nfs/dbraw/zinc/22/11/72/334221172.db2.gz FEHRRWNUQRLEBX-RAIGVLPGSA-N 0 1 282.453 3.560 20 0 CHADMN C[C@@H]1CCN(Cc2coc(-c3cccs3)n2)C[C@H]1C ZINC000245845887 334221224 /nfs/dbraw/zinc/22/12/24/334221224.db2.gz CDWJJOROBMBVQJ-VXGBXAGGSA-N 0 1 276.405 3.881 20 0 CHADMN C[C@@H]1CCN(Cc2ncc(-c3ccccc3)o2)C[C@H]1C ZINC000245867295 334222240 /nfs/dbraw/zinc/22/22/40/334222240.db2.gz GHFWZROFJMHTHJ-ZIAGYGMSSA-N 0 1 270.376 3.820 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1CC[C@@H](C)[C@@H](C)C1 ZINC000245900191 334223386 /nfs/dbraw/zinc/22/33/86/334223386.db2.gz LBMHROULHMFJQL-GRYCIOLGSA-N 0 1 291.420 3.837 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CC[C@H](C)[C@H](C)C1 ZINC000245914809 334223837 /nfs/dbraw/zinc/22/38/37/334223837.db2.gz MZKACZCBTDIWEE-LSDHHAIUSA-N 0 1 288.435 3.726 20 0 CHADMN C[C@H]1CN(Cc2cn(C)nc2C(C)(C)C)[C@H]1c1ccccc1 ZINC000245952002 334225195 /nfs/dbraw/zinc/22/51/95/334225195.db2.gz XGVZNLKVAUZWAU-WMLDXEAASA-N 0 1 297.446 3.911 20 0 CHADMN COCCN1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000550629134 334225738 /nfs/dbraw/zinc/22/57/38/334225738.db2.gz PZPBSCDRRSFNMH-CQSZACIVSA-N 0 1 287.325 3.879 20 0 CHADMN Cc1ccc(-c2cc(-c3nc(CC4CC4)no3)[nH]n2)c(C)c1 ZINC000564373486 334226318 /nfs/dbraw/zinc/22/63/18/334226318.db2.gz ZTMXPDDIESLCEJ-UHFFFAOYSA-N 0 1 294.358 3.696 20 0 CHADMN CC[C@]1(C)CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000551195104 334240618 /nfs/dbraw/zinc/24/06/18/334240618.db2.gz ZDEPBAJVFOTNBN-GOSISDBHSA-N 0 1 297.402 3.729 20 0 CHADMN CC[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccc(F)cc1F ZINC000551307230 334246061 /nfs/dbraw/zinc/24/60/61/334246061.db2.gz AXMJDIJCRRDETB-IACUBPJLSA-N 0 1 257.299 3.896 20 0 CHADMN C[C@H](N[C@H]1CCC[C@H]1F)c1ccccc1OC(F)F ZINC000551310074 334246216 /nfs/dbraw/zinc/24/62/16/334246216.db2.gz SQKUXPKPHZCSOI-WCQGTBRESA-N 0 1 273.298 3.829 20 0 CHADMN CC(C)(C)C1=CCN(Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000551806761 334262540 /nfs/dbraw/zinc/26/25/40/334262540.db2.gz SFFTXBWBDQFACP-UHFFFAOYSA-N 0 1 287.451 3.952 20 0 CHADMN CC[C@H](N[C@H](C)c1c(F)cccc1F)[C@@H]1CCCO1 ZINC000246556160 334264276 /nfs/dbraw/zinc/26/42/76/334264276.db2.gz WWZHUTIVRPEUHE-SWHYSGLUSA-N 0 1 269.335 3.573 20 0 CHADMN C[C@@H]1CCN(Cc2nc(Cc3ccccc3)no2)C[C@@H](C)C1 ZINC000246729259 334268414 /nfs/dbraw/zinc/26/84/14/334268414.db2.gz OPTDRHBDFOMZBG-CABCVRRESA-N 0 1 299.418 3.528 20 0 CHADMN C(c1nc(C2CCCC2)no1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000246746318 334268939 /nfs/dbraw/zinc/26/89/39/334268939.db2.gz PVTBHBUCMSUQNV-DZGCQCFKSA-N 0 1 289.423 3.882 20 0 CHADMN CC[C@@H](c1ccccc1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000247219808 334277810 /nfs/dbraw/zinc/27/78/10/334277810.db2.gz WHZIOMSWQOMNGV-RBUKOAKNSA-N 0 1 297.398 3.917 20 0 CHADMN CCCCN[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000552064651 334284074 /nfs/dbraw/zinc/28/40/74/334284074.db2.gz FMZUUHBFXROMRL-CQSZACIVSA-N 0 1 277.799 3.553 20 0 CHADMN CCS[C@@H](C)c1noc(CN(CC)C[C@H](C)CC)n1 ZINC000247963863 334292262 /nfs/dbraw/zinc/29/22/62/334292262.db2.gz GOSLGWZMHVAZBW-NEPJUHHUSA-N 0 1 285.457 3.752 20 0 CHADMN CCCCOc1ccc(CN2CCC[C@@H]2CF)cc1 ZINC000552129680 334292500 /nfs/dbraw/zinc/29/25/00/334292500.db2.gz DUIXWDVCCRVRGG-OAHLLOKOSA-N 0 1 265.372 3.799 20 0 CHADMN O[C@@H]1CCCN(Cc2cnc(C3CCCCC3)s2)CC1 ZINC000552146472 334295066 /nfs/dbraw/zinc/29/50/66/334295066.db2.gz IPGUIKAXJYUIID-CQSZACIVSA-N 0 1 294.464 3.538 20 0 CHADMN Cc1ccccc1CN1CCO[C@H](c2ccccc2)C1 ZINC000248143959 334295926 /nfs/dbraw/zinc/29/59/26/334295926.db2.gz GXJZNGKNPAVWNM-SFHVURJKSA-N 0 1 267.372 3.569 20 0 CHADMN C[C@H]1CCN(Cc2csc(C(C)(C)C)n2)[C@H]1C ZINC000248369701 334299170 /nfs/dbraw/zinc/29/91/70/334299170.db2.gz WOOKZCCXBWHVSI-QWRGUYRKSA-N 0 1 252.427 3.671 20 0 CHADMN CCn1nccc1CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000552316481 334316368 /nfs/dbraw/zinc/31/63/68/334316368.db2.gz BNJQGFVYUHDYIY-CQSZACIVSA-N 0 1 289.810 3.546 20 0 CHADMN Brc1ccc(CN2CC[C@@H](CC3CC3)C2)o1 ZINC000552408124 334323440 /nfs/dbraw/zinc/32/34/40/334323440.db2.gz XJFGWUSTAWRDDU-NSHDSACASA-N 0 1 284.197 3.664 20 0 CHADMN COC(=O)[C@@H]1CCN([C@@H](C)c2cccc(Cl)c2)C[C@@H]1C ZINC000249034684 334325486 /nfs/dbraw/zinc/32/54/86/334325486.db2.gz FXLNGKODTYKJCP-SLEUVZQESA-N 0 1 295.810 3.532 20 0 CHADMN CC(C)[C@@H]1CCC[C@H](N[C@@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000249101357 334327571 /nfs/dbraw/zinc/32/75/71/334327571.db2.gz NVUBKPFVJNKJDG-HYVNUMGLSA-N 0 1 298.434 3.699 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000088256167 334334761 /nfs/dbraw/zinc/33/47/61/334334761.db2.gz IWWMKKYVJDKSBP-NSHDSACASA-N 0 1 281.783 3.588 20 0 CHADMN CCc1ccc(CN2C[C@@H](C)C[C@H]2c2cccnc2)o1 ZINC000249510317 334335171 /nfs/dbraw/zinc/33/51/71/334335171.db2.gz MZCAKXWGBWNGKE-GUYCJALGSA-N 0 1 270.376 3.820 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1CCCSCC1 ZINC000089986063 334354767 /nfs/dbraw/zinc/35/47/67/334354767.db2.gz SMJUCZGRIQCZSH-SNVBAGLBSA-N 0 1 273.804 3.979 20 0 CHADMN CCCC[C@H](COC)N[C@H](C)c1nc2c(s1)CCCC2 ZINC000091726602 334382420 /nfs/dbraw/zinc/38/24/20/334382420.db2.gz RNNSKZLDPMTZKW-CHWSQXEVSA-N 0 1 296.480 3.878 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000252643085 334383932 /nfs/dbraw/zinc/38/39/32/334383932.db2.gz JJNBAJHBYRXMHK-AGIUHOORSA-N 0 1 277.412 3.550 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3cc(C)cc(C)c3)ccc12 ZINC000091824855 334384123 /nfs/dbraw/zinc/38/41/23/334384123.db2.gz VQECUFGXKRVSKZ-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN CCC(CC)Nc1cccc(NC(=O)CN(CC)CC)c1 ZINC000554115235 334413249 /nfs/dbraw/zinc/41/32/49/334413249.db2.gz YOFVAHKGESKIGP-UHFFFAOYSA-N 0 1 291.439 3.567 20 0 CHADMN Cc1ccc(CN[C@H]2c3ccc(F)cc3O[C@@H]2C)s1 ZINC000554719653 334448264 /nfs/dbraw/zinc/44/82/64/334448264.db2.gz FVCRLMDEGKDSNY-MEBBXXQBSA-N 0 1 277.364 3.807 20 0 CHADMN F[C@H]1CCC[C@H]1NCc1ccc(C(F)(F)F)s1 ZINC000555644618 334485966 /nfs/dbraw/zinc/48/59/66/334485966.db2.gz JLEQCQLZPSQZPV-DTWKUNHWSA-N 0 1 267.291 3.747 20 0 CHADMN FC(F)Oc1ccc(Cl)cc1CN[C@H]1CCC[C@H]1F ZINC000555644079 334486058 /nfs/dbraw/zinc/48/60/58/334486058.db2.gz XKIFTWVHLZSNNX-MNOVXSKESA-N 0 1 293.716 3.922 20 0 CHADMN CC1(C)CCC[C@@H](CNCc2ncn(-c3ccccc3)n2)C1 ZINC000555644054 334486153 /nfs/dbraw/zinc/48/61/53/334486153.db2.gz VRGQZPJTKDJTNB-OAHLLOKOSA-N 0 1 298.434 3.573 20 0 CHADMN F[C@H]1CCC[C@H]1NCc1ccc(-c2ccccc2)o1 ZINC000555643899 334486185 /nfs/dbraw/zinc/48/61/85/334486185.db2.gz MIWYOUSRYUQGJA-LSDHHAIUSA-N 0 1 259.324 3.927 20 0 CHADMN Cc1cc(OCc2cccc3cccnc32)cc(C)n1 ZINC000152788937 334514504 /nfs/dbraw/zinc/51/45/04/334514504.db2.gz DVUFJROQIZYDKC-UHFFFAOYSA-N 0 1 264.328 3.826 20 0 CHADMN CCc1ccc(/C(C)=C\c2nc(C3(N)CCC3)no2)cc1 ZINC000564959649 334530649 /nfs/dbraw/zinc/53/06/49/334530649.db2.gz GUDASMRNTOEACF-QXMHVHEDSA-N 0 1 283.375 3.530 20 0 CHADMN Cc1nc2c(n1Cc1ccc(OC(F)F)cc1)CCCC2 ZINC000565578068 334575879 /nfs/dbraw/zinc/57/58/79/334575879.db2.gz YJBMMTKCPZZOCO-UHFFFAOYSA-N 0 1 292.329 3.720 20 0 CHADMN CCc1cccc(CNCc2nc3cc(C)ccc3n2C)c1 ZINC000566337607 334643436 /nfs/dbraw/zinc/64/34/36/334643436.db2.gz GSAHVLQKILDYIS-UHFFFAOYSA-N 0 1 293.414 3.734 20 0 CHADMN CCc1cccc(CNCc2cc(F)ccc2F)c1 ZINC000567053651 334676906 /nfs/dbraw/zinc/67/69/06/334676906.db2.gz IHXYIAGYDDGDAU-UHFFFAOYSA-N 0 1 261.315 3.817 20 0 CHADMN COc1cccc2c1CC[C@@H]2NCc1noc2ccccc12 ZINC000567061272 334677695 /nfs/dbraw/zinc/67/76/95/334677695.db2.gz RQCAKHANEZCEDX-HNNXBMFYSA-N 0 1 294.354 3.614 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC(C)(c3ccccc3)CC2)o1 ZINC000153777927 334679208 /nfs/dbraw/zinc/67/92/08/334679208.db2.gz STSWKHBINPBSCE-CQSZACIVSA-N 0 1 299.418 3.747 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H]1C1CCC1)c1nc(C(C)(C)C)no1 ZINC000567490699 334725143 /nfs/dbraw/zinc/72/51/43/334725143.db2.gz WTIGYZCWCKDBSW-CYZMBNFOSA-N 0 1 277.412 3.596 20 0 CHADMN Cc1ccc(CNCc2cc(C)nc(C)c2)c(Cl)c1 ZINC000568033454 334786158 /nfs/dbraw/zinc/78/61/58/334786158.db2.gz NPDDXSDLJSQFRH-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN C[C@H](NCc1ccn(C)c1)c1nc(-c2ccccc2)cs1 ZINC000158573485 334806016 /nfs/dbraw/zinc/80/60/16/334806016.db2.gz BBFVDRPYCALRLH-ZDUSSCGKSA-N 0 1 297.427 3.999 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc3ccccc3o2)cc1O ZINC000568332886 334815897 /nfs/dbraw/zinc/81/58/97/334815897.db2.gz XQLCDMMIKSSOSE-GFCCVEGCSA-N 0 1 297.354 3.998 20 0 CHADMN CC[C@@H](NCc1cccc(C)n1)c1cccc(F)c1 ZINC000166569353 334915079 /nfs/dbraw/zinc/91/50/79/334915079.db2.gz VSPUHTKBHYQLMO-MRXNPFEDSA-N 0 1 258.340 3.770 20 0 CHADMN Cc1ccoc1CNCc1ccc(OCC(C)C)cc1 ZINC000573231712 334919973 /nfs/dbraw/zinc/91/99/73/334919973.db2.gz HXSLDNISOUBBRC-UHFFFAOYSA-N 0 1 273.376 3.913 20 0 CHADMN Cc1nnc([C@H](C)N[C@H](C)CCC(C)(C)C)s1 ZINC000342569538 335182978 /nfs/dbraw/zinc/18/29/78/335182978.db2.gz AEIKOIGNJIZZKD-ZJUUUORDSA-N 0 1 255.431 3.712 20 0 CHADMN Cc1oc([C@@H](C)[N@H+]2CCCC(C)(C)CC2)cc1C(=O)[O-] ZINC000576405291 335199816 /nfs/dbraw/zinc/19/98/16/335199816.db2.gz IXGRKMJDEBYKAN-LLVKDONJSA-N 0 1 279.380 3.859 20 0 CHADMN Cc1cc(CN(C)[C@H](c2ccc(F)cc2)C(C)C)on1 ZINC000576472207 335208590 /nfs/dbraw/zinc/20/85/90/335208590.db2.gz DGMLULWPGJOJTM-INIZCTEOSA-N 0 1 276.355 3.951 20 0 CHADMN CC(C)C[N@@H+](CCCc1ccccc1Cl)CCC(=O)[O-] ZINC000576524475 335214872 /nfs/dbraw/zinc/21/48/72/335214872.db2.gz ZNMOCNGPGKOORS-UHFFFAOYSA-N 0 1 297.826 3.705 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000576589660 335223471 /nfs/dbraw/zinc/22/34/71/335223471.db2.gz AXPYUGWVAFTTDW-RISCZKNCSA-N 0 1 281.783 3.588 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000576710622 335238406 /nfs/dbraw/zinc/23/84/06/335238406.db2.gz NIFVUOAAKPOJQM-UJGDBWEASA-N 0 1 287.403 3.809 20 0 CHADMN C[N@@H+](CC1CCCCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000576710697 335238633 /nfs/dbraw/zinc/23/86/33/335238633.db2.gz QOQPAMYMNFQPIU-KRWDZBQOSA-N 0 1 289.419 3.585 20 0 CHADMN CCn1ccnc1CN[C@H]1CCC(C)(C)c2ccccc21 ZINC000344187563 335238646 /nfs/dbraw/zinc/23/86/46/335238646.db2.gz HYPBWBRJBDVKCY-INIZCTEOSA-N 0 1 283.419 3.805 20 0 CHADMN Cc1csc(C2(NCCOCCC(C)C)CCCC2)n1 ZINC000176179401 335247942 /nfs/dbraw/zinc/24/79/42/335247942.db2.gz XGGXZXHYJVEZQV-UHFFFAOYSA-N 0 1 296.480 3.873 20 0 CHADMN CC[C@H](F)CN1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000576813650 335250373 /nfs/dbraw/zinc/25/03/73/335250373.db2.gz BPTFOBLSDHGEAQ-INIZCTEOSA-N 0 1 291.410 3.946 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCCCC(=O)[O-] ZINC000576949578 335268531 /nfs/dbraw/zinc/26/85/31/335268531.db2.gz PALKDWUHVKXHCM-NSHDSACASA-N 0 1 285.334 3.603 20 0 CHADMN Cc1cc(=O)[n-]c([C@@H](C)[N@H+](C)CCCCc2ccccc2)n1 ZINC000192546941 335276558 /nfs/dbraw/zinc/27/65/58/335276558.db2.gz XONXKRUWVURMST-OAHLLOKOSA-N 0 1 299.418 3.506 20 0 CHADMN Cc1cc(=O)[n-]c([C@@H](C)[N@@H+](C)CCCCc2ccccc2)n1 ZINC000192546941 335276560 /nfs/dbraw/zinc/27/65/60/335276560.db2.gz XONXKRUWVURMST-OAHLLOKOSA-N 0 1 299.418 3.506 20 0 CHADMN CC1(C)[C@@H](c2ccccc2)CC[N@H+]1Cc1occc1C(=O)[O-] ZINC000580560897 335281276 /nfs/dbraw/zinc/28/12/76/335281276.db2.gz BMRJNUOMNYUKIY-OAHLLOKOSA-N 0 1 299.370 3.746 20 0 CHADMN COc1ccc2cc(CN(C)Cc3cccnc3)ccc2c1 ZINC000192662278 335288221 /nfs/dbraw/zinc/28/82/21/335288221.db2.gz SVUBIFJBYQWSOY-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN COc1cccc([C@H](C)N2CCO[C@H](C(C)(C)C)C2)c1 ZINC000577052654 335290850 /nfs/dbraw/zinc/29/08/50/335290850.db2.gz AONDRNTTZWTDFA-BBRMVZONSA-N 0 1 277.408 3.503 20 0 CHADMN CC[C@H](NCc1ccncc1C)c1nc2ccccc2[nH]1 ZINC000577078116 335296476 /nfs/dbraw/zinc/29/64/76/335296476.db2.gz YLQAMFCCFPOAFL-AWEZNQCLSA-N 0 1 280.375 3.507 20 0 CHADMN c1nc(C2CC2)sc1CN1CCC=C(c2ccncc2)C1 ZINC000577104661 335301000 /nfs/dbraw/zinc/30/10/00/335301000.db2.gz PEXYIIGAQMMKEQ-UHFFFAOYSA-N 0 1 297.427 3.705 20 0 CHADMN CCN(Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000192796533 335305450 /nfs/dbraw/zinc/30/54/50/335305450.db2.gz HCSIFUKKZUZJCB-OAHLLOKOSA-N 0 1 282.387 3.536 20 0 CHADMN Cc1cc(CN2CCCc3occc3C2)ccc1F ZINC000580636224 335307611 /nfs/dbraw/zinc/30/76/11/335307611.db2.gz SXTUQHQLCWNNGJ-UHFFFAOYSA-N 0 1 259.324 3.676 20 0 CHADMN CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1cccs1 ZINC000345345113 335316660 /nfs/dbraw/zinc/31/66/60/335316660.db2.gz BUUILRSTWXWBIB-SDDRHHMPSA-N 0 1 261.394 3.691 20 0 CHADMN CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1ccc(C)cc1 ZINC000345354340 335316801 /nfs/dbraw/zinc/31/68/01/335316801.db2.gz KUNDQQXITYGMPC-CWRNSKLLSA-N 0 1 269.392 3.938 20 0 CHADMN CCCCOc1cc(CNC2(CF)CCC2)ccc1OC ZINC000577220426 335325189 /nfs/dbraw/zinc/32/51/89/335325189.db2.gz PGOPEEZHAPBMDF-UHFFFAOYSA-N 0 1 295.398 3.856 20 0 CHADMN CC1=C(C)C[C@@H](C(=O)Nc2ncc(C(F)(F)F)[nH]2)CC1 ZINC000577223828 335325908 /nfs/dbraw/zinc/32/59/08/335325908.db2.gz KUIOABMKXDYSOG-VIFPVBQESA-N 0 1 287.285 3.504 20 0 CHADMN C[C@@H](NCc1sccc1Cl)c1ccc2c(c1)OCO2 ZINC000192996396 335332699 /nfs/dbraw/zinc/33/26/99/335332699.db2.gz PXXIAEQQTRDNKT-SECBINFHSA-N 0 1 295.791 3.981 20 0 CHADMN C[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000577286890 335335444 /nfs/dbraw/zinc/33/54/44/335335444.db2.gz WWDDERRMVVKEOS-RISCZKNCSA-N 0 1 281.783 3.588 20 0 CHADMN Cc1ccc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(C(=O)[O-])o2)c1 ZINC000577404238 335349156 /nfs/dbraw/zinc/34/91/56/335349156.db2.gz HKRAKFIKLXGALZ-CYBMUJFWSA-N 0 1 287.359 3.788 20 0 CHADMN Cc1nnsc1CN1CCC[C@H]1/C=C\c1ccccc1 ZINC000577615116 335378480 /nfs/dbraw/zinc/37/84/80/335378480.db2.gz BERRAJZMBXTGIZ-KVPUOBJLSA-N 0 1 285.416 3.524 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)s2)C[C@H]1C(=O)[O-] ZINC000577633649 335383478 /nfs/dbraw/zinc/38/34/78/335383478.db2.gz RQZYDHIGHUQCHA-DGCLKSJQSA-N 0 1 295.448 3.588 20 0 CHADMN CC[N@H+](Cc1ccoc1C(=O)[O-])Cc1ccccc1Cl ZINC000577642476 335385010 /nfs/dbraw/zinc/38/50/10/335385010.db2.gz ICHGVHOHMPKFRY-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN CC[N@@H+](Cc1ccoc1C(=O)[O-])Cc1ccccc1Cl ZINC000577642476 335385012 /nfs/dbraw/zinc/38/50/12/335385012.db2.gz ICHGVHOHMPKFRY-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@@H]1CC(C)(C)Cc2occc21 ZINC000178717773 335446971 /nfs/dbraw/zinc/44/69/71/335446971.db2.gz QKKSSKUKIHZTKZ-IAQYHMDHSA-N 0 1 287.407 3.686 20 0 CHADMN COc1ccc(C2(NCc3c(C)nsc3C)CC2)cc1 ZINC000578903431 335688006 /nfs/dbraw/zinc/68/80/06/335688006.db2.gz HGBJJZPQJNHEQG-UHFFFAOYSA-N 0 1 288.416 3.547 20 0 CHADMN CCc1cnc(CN[C@@H]2CCC[C@@H]2Cc2ccccc2)o1 ZINC000579184738 335718850 /nfs/dbraw/zinc/71/88/50/335718850.db2.gz QLUVWDFWJDOHED-NVXWUHKLSA-N 0 1 284.403 3.738 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCCCCC(=O)[O-] ZINC000581195302 336022794 /nfs/dbraw/zinc/02/27/94/336022794.db2.gz AVZJNCSGMSGXEN-UONOGXRCSA-N 0 1 255.402 3.532 20 0 CHADMN c1ccc(C2(NCc3ccc4c(n3)CCC4)CCC2)cc1 ZINC000581296183 336040326 /nfs/dbraw/zinc/04/03/26/336040326.db2.gz VNZNQIKXPWPLCS-UHFFFAOYSA-N 0 1 278.399 3.739 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](Cc2cc(C(=O)[O-])oc2CC)C1 ZINC000581315741 336047045 /nfs/dbraw/zinc/04/70/45/336047045.db2.gz QKKPPCUDBJVBJN-QGZVFWFLSA-N 0 1 293.407 3.942 20 0 CHADMN Cc1ccc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)o1 ZINC000195198857 336049345 /nfs/dbraw/zinc/04/93/45/336049345.db2.gz MGPSQBQIRGIBDM-UHFFFAOYSA-N 0 1 295.342 3.984 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1ccsc1C(=O)OC ZINC000381194089 336054507 /nfs/dbraw/zinc/05/45/07/336054507.db2.gz JKJCMGVDNVOIRJ-CYBMUJFWSA-N 0 1 281.421 3.689 20 0 CHADMN FC(F)(F)C1CN([C@H]2CCCc3ccccc32)C1 ZINC000581351227 336057434 /nfs/dbraw/zinc/05/74/34/336057434.db2.gz ITERMUNRVJXCLT-ZDUSSCGKSA-N 0 1 255.283 3.558 20 0 CHADMN Cc1nc2c(n1C[C@@H]1CCCC1(F)F)CCCC2 ZINC000382010936 336080184 /nfs/dbraw/zinc/08/01/84/336080184.db2.gz ZFZOEXWBYAQKPP-NSHDSACASA-N 0 1 254.324 3.506 20 0 CHADMN Cc1cccc(C2=CC[N@@H+](Cc3ccoc3C(=O)[O-])CC2)c1 ZINC000581554051 336102028 /nfs/dbraw/zinc/10/20/28/336102028.db2.gz QITWDVWZAXHWFY-UHFFFAOYSA-N 0 1 297.354 3.576 20 0 CHADMN CCO[C@@H]1C[C@@H](N(C)Cc2c(C)nsc2C)C12CCC2 ZINC000581555964 336102263 /nfs/dbraw/zinc/10/22/63/336102263.db2.gz FGWUBZZNFUVIQZ-HUUCEWRRSA-N 0 1 294.464 3.539 20 0 CHADMN Cc1ccc(C)c(CN[C@@H]2c3ccccc3O[C@H]2C)c1 ZINC000581570798 336104758 /nfs/dbraw/zinc/10/47/58/336104758.db2.gz KYNDKQAABSPIRB-KSSFIOAISA-N 0 1 267.372 3.915 20 0 CHADMN CC[C@H](C)CCC(=O)Nc1cc(F)cc(Cl)c1O ZINC000581623437 336114167 /nfs/dbraw/zinc/11/41/67/336114167.db2.gz LBOSKKLDZMSUNC-QMMMGPOBSA-N 0 1 273.735 3.950 20 0 CHADMN Fc1ccc(CN2CC[C@H](c3ccncc3)C2)cc1Cl ZINC000581660508 336119441 /nfs/dbraw/zinc/11/94/41/336119441.db2.gz HPPVADPZWKMYGG-AWEZNQCLSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1nnsc1CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000384233465 336122801 /nfs/dbraw/zinc/12/28/01/336122801.db2.gz HOZBIVWVXLKIBW-AWEZNQCLSA-N 0 1 293.823 3.741 20 0 CHADMN C[C@H](C1CC1)[N@@H+](Cc1ccccc1)CC1(CC(=O)[O-])CC1 ZINC000385240832 336142918 /nfs/dbraw/zinc/14/29/18/336142918.db2.gz ZXHAHJWGNZHSMN-CQSZACIVSA-N 0 1 287.403 3.542 20 0 CHADMN CC[C@@H](CSc1ccccc1)NCc1nc(C)c(C)[nH]1 ZINC000581954640 336179105 /nfs/dbraw/zinc/17/91/05/336179105.db2.gz GAHPXFXTFCHUPF-AWEZNQCLSA-N 0 1 289.448 3.687 20 0 CHADMN CC[C@@H](C)[N@@H+](Cc1ccoc1C(=O)[O-])Cc1ccccc1 ZINC000387258747 336190585 /nfs/dbraw/zinc/19/05/85/336190585.db2.gz QZMCQXSRNDQLLE-CYBMUJFWSA-N 0 1 287.359 3.779 20 0 CHADMN CC(C)c1nc(CSc2ncc(C(C)(C)C)o2)n[nH]1 ZINC000291545601 519864959 /nfs/dbraw/zinc/86/49/59/519864959.db2.gz ANFLNNYNNVSJAT-UHFFFAOYSA-N 0 1 280.397 3.506 20 0 CHADMN CCCCC[N@@H+](Cc1cccc(C(=O)[O-])c1)C(C)C ZINC000042557841 520173468 /nfs/dbraw/zinc/17/34/68/520173468.db2.gz RCLYXTUTDHRHAB-UHFFFAOYSA-N 0 1 263.381 3.785 20 0 CHADMN CCCN(Cc1cc(C)no1)Cc1ccc(F)cc1 ZINC000299407639 521681130 /nfs/dbraw/zinc/68/11/30/521681130.db2.gz YEZFEOFUWQAKMY-UHFFFAOYSA-N 0 1 262.328 3.534 20 0 CHADMN CCSc1cccc(CNCc2ccc(C)o2)c1 ZINC000291806129 521755816 /nfs/dbraw/zinc/75/58/16/521755816.db2.gz XQKSKMVYJAXKIO-UHFFFAOYSA-N 0 1 261.390 3.990 20 0 CHADMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1csc2ccccc12 ZINC000352717496 533741001 /nfs/dbraw/zinc/74/10/01/533741001.db2.gz PCTUVOADERLGMC-RYUDHWBXSA-N 0 1 288.416 3.713 20 0 CHADMN C[C@@H]1CCC[C@@H](N(C)Cc2ncc(Cl)s2)C1 ZINC000351995914 533762804 /nfs/dbraw/zinc/76/28/04/533762804.db2.gz MKTAYEKTCIYYIG-NXEZZACHSA-N 0 1 258.818 3.807 20 0 CHADMN C[C@H]1CC[C@H](NCc2nccs2)c2sccc21 ZINC000334667901 533764958 /nfs/dbraw/zinc/76/49/58/533764958.db2.gz WWNPVHUGLISHNI-ONGXEEELSA-N 0 1 264.419 3.933 20 0 CHADMN C[C@H](NC1(c2ccccc2)CC1)c1cncc(F)c1 ZINC000346729781 533790883 /nfs/dbraw/zinc/79/08/83/533790883.db2.gz FDBLNLRQZBHACD-LBPRGKRZSA-N 0 1 256.324 3.561 20 0 CHADMN Cc1c(CN(Cc2ccc(C)c(C)c2)C2CC2)cnn1C ZINC000353774948 533844543 /nfs/dbraw/zinc/84/45/43/533844543.db2.gz KOGLZFQSVCCGMW-UHFFFAOYSA-N 0 1 283.419 3.510 20 0 CHADMN COc1ccc(Cl)cc1CN(C)CC[C@@H](C)F ZINC000352102069 533848568 /nfs/dbraw/zinc/84/85/68/533848568.db2.gz HYMGPFVLAAOILO-SNVBAGLBSA-N 0 1 259.752 3.529 20 0 CHADMN C[C@H](NCCOC1CCC1)c1nc(C(C)(C)C)cs1 ZINC000347239545 533859127 /nfs/dbraw/zinc/85/91/27/533859127.db2.gz VSHFTVPCBCGULL-NSHDSACASA-N 0 1 282.453 3.660 20 0 CHADMN CSCc1cnc(CN2CC[C@H](CC3CC3)C2)s1 ZINC000354522993 533870440 /nfs/dbraw/zinc/87/04/40/533870440.db2.gz BHNQOTAVHUIERP-GFCCVEGCSA-N 0 1 282.478 3.628 20 0 CHADMN Cc1ccc(CN(CCC(C)(C)O)Cc2ccco2)s1 ZINC000347308114 533880438 /nfs/dbraw/zinc/88/04/38/533880438.db2.gz XWPKOBFQAFCNOP-UHFFFAOYSA-N 0 1 293.432 3.813 20 0 CHADMN C[C@H](NCc1cc2cc(F)ccc2o1)c1cccnc1 ZINC000344411389 533912254 /nfs/dbraw/zinc/91/22/54/533912254.db2.gz SVZLIPNZPDYUIQ-NSHDSACASA-N 0 1 270.307 3.818 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)o1 ZINC000353267678 533926716 /nfs/dbraw/zinc/92/67/16/533926716.db2.gz NOMPGFCZCGHHQP-OAHLLOKOSA-N 0 1 285.343 3.654 20 0 CHADMN Cc1ccc(CN2CCOC[C@H]2Cc2ccccc2)s1 ZINC000350616538 533939696 /nfs/dbraw/zinc/93/96/96/533939696.db2.gz SXOFSRRXBQKBBL-MRXNPFEDSA-N 0 1 287.428 3.500 20 0 CHADMN COc1ccccc1/C=C/CN(C)Cc1cccc(C)n1 ZINC000353764884 533946968 /nfs/dbraw/zinc/94/69/68/533946968.db2.gz ATDWWTUHGDWGGN-JXMROGBWSA-N 0 1 282.387 3.544 20 0 CHADMN Cc1ccc(CN2CC[C@H](C)[C@@H]2c2cccc(F)c2)nn1 ZINC000334859652 533950577 /nfs/dbraw/zinc/95/05/77/533950577.db2.gz LRZUCIOXCJBGJH-YVEFUNNKSA-N 0 1 285.366 3.507 20 0 CHADMN CS[C@@H]1CC[C@@H]1N[C@@H](c1ccccc1)c1ccccn1 ZINC000352781274 533991865 /nfs/dbraw/zinc/99/18/65/533991865.db2.gz AQOBJFXXPFQWEA-UAGQMJEPSA-N 0 1 284.428 3.655 20 0 CHADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@@H](C)C(C)(C)c2ccccc2)n1 ZINC000192731045 534017790 /nfs/dbraw/zinc/01/77/90/534017790.db2.gz NGDKPMVZNOQWLV-KBPBESRZSA-N 0 1 299.418 3.508 20 0 CHADMN Cc1ccc(CN[C@@H]2COCc3ccccc32)c(C)c1 ZINC000418101528 534083206 /nfs/dbraw/zinc/08/32/06/534083206.db2.gz RYNGQIZKHKBTDT-GOSISDBHSA-N 0 1 267.372 3.665 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1CCCC[C@@H]1C ZINC000332643621 534129688 /nfs/dbraw/zinc/12/96/88/534129688.db2.gz MASMQNJIYOJBLE-GXFFZTMASA-N 0 1 271.364 3.636 20 0 CHADMN C[C@@H]1CC(c2nc(C3(N)CCCCC3)no2)C[C@@H](C)C1 ZINC000331695531 534150992 /nfs/dbraw/zinc/15/09/92/534150992.db2.gz UNJNDZAOPFSUAI-RYUDHWBXSA-N 0 1 277.412 3.727 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1cccc2c1OCCO2 ZINC000353408712 534152155 /nfs/dbraw/zinc/15/21/55/534152155.db2.gz UYEICFNUPUPXLT-AWEZNQCLSA-N 0 1 295.382 3.577 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2nccs2)c2sccc21 ZINC000334667899 534190800 /nfs/dbraw/zinc/19/08/00/534190800.db2.gz WWNPVHUGLISHNI-MWLCHTKSSA-N 0 1 264.419 3.933 20 0 CHADMN C[C@@H]1CC[C@H](c2nc(C3(N)CCCCC3)no2)C[C@@H]1C ZINC000331704686 534261875 /nfs/dbraw/zinc/26/18/75/534261875.db2.gz XSZXZNABRIKGQL-AGIUHOORSA-N 0 1 277.412 3.727 20 0 CHADMN Cc1csc(CN(C)[C@@H](C)Cc2cccc(F)c2)n1 ZINC000445260719 518192025 /nfs/dbraw/zinc/19/20/25/518192025.db2.gz MTKPVATWGGJHBT-LBPRGKRZSA-N 0 1 278.396 3.654 20 0 CHADMN C/C(=C\c1nc([C@@H](N)CC(C)C)no1)c1cccc(F)c1 ZINC000339392301 518448175 /nfs/dbraw/zinc/44/81/75/518448175.db2.gz NDIQQBPHKMNQAW-ZHZWZMEUSA-N 0 1 289.354 3.815 20 0 CHADMN CC(C)(C)c1ccc([C@H]2CCC[N@H+]2CCC(=O)[O-])cc1 ZINC000236613811 519052364 /nfs/dbraw/zinc/05/23/64/519052364.db2.gz QZZDJMCFGFBZIW-OAHLLOKOSA-N 0 1 275.392 3.596 20 0 CHADMN C=Cn1cc(CN([C@@H](C)c2ccccc2)C2CC2)cn1 ZINC000278207497 519322519 /nfs/dbraw/zinc/32/25/19/519322519.db2.gz JVKKWSIJGJLPOU-AWEZNQCLSA-N 0 1 267.376 3.709 20 0 CHADMN Cc1ccncc1CN[C@H]1CC(C)(C)Cc2occc21 ZINC000334669915 534419993 /nfs/dbraw/zinc/41/99/93/534419993.db2.gz XASSBPMWOQTOJW-HNNXBMFYSA-N 0 1 270.376 3.786 20 0 CHADMN CC(C)C[C@H](N)c1noc(C[C@@H](C)c2cccc(F)c2)n1 ZINC000339398769 519376427 /nfs/dbraw/zinc/37/64/27/519376427.db2.gz XGIIQPLULAXTMH-RISCZKNCSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)C[C@H](N)c1noc(C[C@@H]2CCCc3ccccc32)n1 ZINC000339397249 519376766 /nfs/dbraw/zinc/37/67/66/519376766.db2.gz RKQUBJCYUNLWLB-HOCLYGCPSA-N 0 1 299.418 3.778 20 0 CHADMN CC(C)C[C@H]1CCCCN1Cc1ncc(C2CC2)o1 ZINC000340695598 519406779 /nfs/dbraw/zinc/40/67/79/519406779.db2.gz MUSITTMZEJEXAO-CQSZACIVSA-N 0 1 262.397 3.953 20 0 CHADMN CC(C)C[C@H]1CCCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000119298032 519408730 /nfs/dbraw/zinc/40/87/30/519408730.db2.gz PMHFCMUCWBMYSL-CYBMUJFWSA-N 0 1 289.379 3.588 20 0 CHADMN CC(=O)CCN1CCC[C@H]1c1ccccc1Br ZINC000156775887 519418004 /nfs/dbraw/zinc/41/80/04/519418004.db2.gz JPRFAGJRNKQIRV-AWEZNQCLSA-N 0 1 296.208 3.565 20 0 CHADMN CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cccc([O-])c2Cl)CCO1 ZINC000293139958 519420173 /nfs/dbraw/zinc/42/01/73/519420173.db2.gz CUXCCHOTWDMTGG-KBPBESRZSA-N 0 1 297.826 3.729 20 0 CHADMN CC(C)CCCN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000125672283 519642094 /nfs/dbraw/zinc/64/20/94/519642094.db2.gz JGXPOEUPRPWYKM-HNNXBMFYSA-N 0 1 257.381 3.525 20 0 CHADMN CC(C)CCN1Cc2cccc(NC(=O)C3CCC3)c2C1 ZINC000076171330 519654410 /nfs/dbraw/zinc/65/44/10/519654410.db2.gz FOOPCTRALYMRJM-UHFFFAOYSA-N 0 1 286.419 3.787 20 0 CHADMN CC(C)CC[C@@H]1CCCCN1C(=O)c1ccc2cncn2c1 ZINC000339906921 519685302 /nfs/dbraw/zinc/68/53/02/519685302.db2.gz BQANXVMVTMOKSQ-INIZCTEOSA-N 0 1 299.418 3.765 20 0 CHADMN CC(C)O[C@@H]1C[C@@H](N[C@H](C)c2c(F)cncc2F)C1(C)C ZINC000285530155 519776896 /nfs/dbraw/zinc/77/68/96/519776896.db2.gz CMZDFUXNGCTCLY-LERXQTSPSA-N 0 1 298.377 3.603 20 0 CHADMN CC(C)[C@@H]1CN(Cc2ccsc2Cl)CCCO1 ZINC000354795493 519804593 /nfs/dbraw/zinc/80/45/93/519804593.db2.gz WUSPJPYUTYEQJD-LBPRGKRZSA-N 0 1 273.829 3.648 20 0 CHADMN CC(C)[C@H]1C[C@H](N[C@@H](C)c2c(F)cncc2F)CS1 ZINC000289542587 519827844 /nfs/dbraw/zinc/82/78/44/519827844.db2.gz IDAAVNZOKRXSDR-OUJBWJOFSA-N 0 1 286.391 3.541 20 0 CHADMN Cc1noc([C@@H]2CCCN2CC[C@@H]2CCC[C@@H](C)C2)n1 ZINC000353574835 534451560 /nfs/dbraw/zinc/45/15/60/534451560.db2.gz MZOIGXSYTRCCSJ-SNPRPXQTSA-N 0 1 277.412 3.731 20 0 CHADMN CC(C)c1nc(CN[C@@H](C)c2ccc(F)cc2Cl)n[nH]1 ZINC000293118517 519863702 /nfs/dbraw/zinc/86/37/02/519863702.db2.gz KIORISXGIWNEIL-VIFPVBQESA-N 0 1 296.777 3.571 20 0 CHADMN CC(C)c1nc([C@@H](C)NCc2ccc(Cl)cc2F)n[nH]1 ZINC000275651255 519866113 /nfs/dbraw/zinc/86/61/13/519866113.db2.gz UEFICHYPHNWJSY-SECBINFHSA-N 0 1 296.777 3.571 20 0 CHADMN CC(C)c1nc([C@H](C)NCc2cc(F)cc(Cl)c2)n[nH]1 ZINC000275013162 519867545 /nfs/dbraw/zinc/86/75/45/519867545.db2.gz RAGWOBPDMMRXAA-VIFPVBQESA-N 0 1 296.777 3.571 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@@H]2CC(C)(C)C)o1 ZINC000339293731 519886567 /nfs/dbraw/zinc/88/65/67/519886567.db2.gz NZTDNYGGPSWRIZ-GFCCVEGCSA-N 0 1 265.401 3.594 20 0 CHADMN CC(C)n1cc(CN[C@@H](c2ccccc2)C2CCCC2)nn1 ZINC000289729250 519956836 /nfs/dbraw/zinc/95/68/36/519956836.db2.gz MLVFNIMBZFSOLK-SFHVURJKSA-N 0 1 298.434 3.880 20 0 CHADMN CC(C)n1cc(CN[C@H]2c3ccccc3CCC[C@H]2C)nn1 ZINC000290201914 519959573 /nfs/dbraw/zinc/95/95/73/519959573.db2.gz UVGVRHRRMBZSOO-RDTXWAMCSA-N 0 1 298.434 3.662 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@H]2CCc3c2cccc3F)cn1 ZINC000269066903 519976850 /nfs/dbraw/zinc/97/68/50/519976850.db2.gz ZEFSJKOEBGFGFR-PXAZEXFGSA-N 0 1 287.382 3.941 20 0 CHADMN CCCCCCN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000125501994 520093477 /nfs/dbraw/zinc/09/34/77/520093477.db2.gz FQFNEBKZBCCWTA-OAHLLOKOSA-N 0 1 257.381 3.669 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2ccc(Cl)s2)C1 ZINC000072976348 520117054 /nfs/dbraw/zinc/11/70/54/520117054.db2.gz VTQSBRYVCOWJEP-LLVKDONJSA-N 0 1 273.829 3.650 20 0 CHADMN CCCCCCc1csc([C@H]2CN3CCC[C@@H]3CO2)n1 ZINC000364837878 520136182 /nfs/dbraw/zinc/13/61/82/520136182.db2.gz ICYBTXRVAVYDHW-HUUCEWRRSA-N 0 1 294.464 3.802 20 0 CHADMN Cc1ccsc1[C@@H](C)N[C@@H](c1nccn1C)C1CC1 ZINC000353864998 534481122 /nfs/dbraw/zinc/48/11/22/534481122.db2.gz HWMNIMPQTSUNOI-DGCLKSJQSA-N 0 1 275.421 3.592 20 0 CHADMN CCCOc1ccc(CNCc2scnc2C)cc1 ZINC000071212606 520368877 /nfs/dbraw/zinc/36/88/77/520368877.db2.gz FOEIOCWIKZZLII-UHFFFAOYSA-N 0 1 276.405 3.530 20 0 CHADMN CCCCN(Cc1csc(-c2ccccn2)n1)C1CC1 ZINC000264929506 520550233 /nfs/dbraw/zinc/55/02/33/520550233.db2.gz NFXSCPGCQRETDU-UHFFFAOYSA-N 0 1 287.432 3.970 20 0 CHADMN Cc1ccc2nc(CNc3ncccc3Cl)[nH]c2c1 ZINC000347415926 534505988 /nfs/dbraw/zinc/50/59/88/534505988.db2.gz PGMAWZPSTCVTGU-UHFFFAOYSA-N 0 1 272.739 3.532 20 0 CHADMN CC1(CN[C@@H](c2ncc[nH]2)c2ccccc2)CCCC1 ZINC000127882777 520735108 /nfs/dbraw/zinc/73/51/08/520735108.db2.gz DONGBCWZMAPMGA-OAHLLOKOSA-N 0 1 269.392 3.669 20 0 CHADMN Fc1cccc(CN2CCC[C@@H]2c2cccnc2)c1 ZINC000346973347 534518860 /nfs/dbraw/zinc/51/88/60/534518860.db2.gz DGDBHWDZAOBNDF-MRXNPFEDSA-N 0 1 256.324 3.558 20 0 CHADMN CC1=CCCN(Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000280790254 520862390 /nfs/dbraw/zinc/86/23/90/520862390.db2.gz JIHQQGOCHWOYPT-UHFFFAOYSA-N 0 1 290.432 3.612 20 0 CHADMN CC1=CC[C@H](N[C@@H](c2nc(C3CC3)no2)C(C)C)CC1 ZINC000293507463 520875815 /nfs/dbraw/zinc/87/58/15/520875815.db2.gz BWVZPUBHBBFUPF-UONOGXRCSA-N 0 1 275.396 3.733 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000338570525 520900130 /nfs/dbraw/zinc/90/01/30/520900130.db2.gz DGZYONGHRFBPIK-BLLLJJGKSA-N 0 1 299.418 3.912 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263558756 520902922 /nfs/dbraw/zinc/90/29/22/520902922.db2.gz AKYVQXOXXVDQRT-CZUORRHYSA-N 0 1 275.392 3.785 20 0 CHADMN CCOc1ccc(CN(CC)Cc2ccccn2)cc1F ZINC000278405389 520965931 /nfs/dbraw/zinc/96/59/31/520965931.db2.gz GJSWNPJHHCEVMC-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN CCCC[C@@H](COC)NCc1ccnc(Cl)c1Cl ZINC000290971592 521056642 /nfs/dbraw/zinc/05/66/42/521056642.db2.gz XNSKUBCWVHAAAU-NSHDSACASA-N 0 1 291.222 3.683 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000338552167 521066740 /nfs/dbraw/zinc/06/67/40/521066740.db2.gz OOKOGIXRNJRZRN-LRDDRELGSA-N 0 1 299.418 3.912 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000338552166 521068047 /nfs/dbraw/zinc/06/80/47/521068047.db2.gz OOKOGIXRNJRZRN-BLLLJJGKSA-N 0 1 299.418 3.912 20 0 CHADMN CCC[C@H](NCc1cccnc1OC)c1ccccc1 ZINC000037650506 521162977 /nfs/dbraw/zinc/16/29/77/521162977.db2.gz UUDPKMDUPBZKRR-INIZCTEOSA-N 0 1 270.376 3.721 20 0 CHADMN CCN(CCc1cccs1)Cc1nccn1C(C)C ZINC000299626019 521171029 /nfs/dbraw/zinc/17/10/29/521171029.db2.gz RPZZTWBTHDZXKJ-UHFFFAOYSA-N 0 1 277.437 3.590 20 0 CHADMN CCN(Cc1cccc(F)c1)[C@H](C)c1cccnc1 ZINC000263913450 521350415 /nfs/dbraw/zinc/35/04/15/521350415.db2.gz MUMSTHAWRSOKQI-CYBMUJFWSA-N 0 1 258.340 3.804 20 0 CHADMN CCC(C)(C)[C@H]1CCCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000338552608 521363461 /nfs/dbraw/zinc/36/34/61/521363461.db2.gz UDQKVBKGBJVFSV-OAHLLOKOSA-N 0 1 299.418 3.912 20 0 CHADMN CCN(Cc1ccccc1OC)[C@@H](C)c1cccnc1 ZINC000290561738 521385965 /nfs/dbraw/zinc/38/59/65/521385965.db2.gz SKGGYBCALLLLDB-AWEZNQCLSA-N 0 1 270.376 3.673 20 0 CHADMN CCCc1cccc(CN[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000274847643 521429907 /nfs/dbraw/zinc/42/99/07/521429907.db2.gz XKNHUZDUGAWPCZ-ZDUSSCGKSA-N 0 1 286.423 3.731 20 0 CHADMN Cc1occc1CN(C)C/C=C/c1ccc(F)cc1 ZINC000352671085 534566181 /nfs/dbraw/zinc/56/61/81/534566181.db2.gz KRCPCVKINBEVQQ-ONEGZZNKSA-N 0 1 259.324 3.872 20 0 CHADMN CCOc1ccccc1CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000121764449 521504656 /nfs/dbraw/zinc/50/46/56/521504656.db2.gz WNKFWCPKURENBJ-CYBMUJFWSA-N 0 1 299.370 3.665 20 0 CHADMN CCOc1ccccc1CN[C@H](C)c1ccsc1 ZINC000061360555 521505719 /nfs/dbraw/zinc/50/57/19/521505719.db2.gz MRVRMNBGDOQQEA-GFCCVEGCSA-N 0 1 261.390 3.998 20 0 CHADMN CCC(CC)N(CC)C(=O)c1ccc(O)c(Cl)c1 ZINC000292079703 521549921 /nfs/dbraw/zinc/54/99/21/521549921.db2.gz IBZDKRYLAYLZFY-UHFFFAOYSA-N 0 1 269.772 3.696 20 0 CHADMN CCN1CCC[C@@H]1c1ccc(Br)s1 ZINC000307458970 521640745 /nfs/dbraw/zinc/64/07/45/521640745.db2.gz AKFNDYVONLJTQX-MRVPVSSYSA-N 0 1 260.200 3.667 20 0 CHADMN CCOCC(C)(C)NCc1nc(-c2cccs2)oc1C ZINC000293363855 521670823 /nfs/dbraw/zinc/67/08/23/521670823.db2.gz UWXAHYQLUGYSPJ-UHFFFAOYSA-N 0 1 294.420 3.616 20 0 CHADMN CCCN(Cc1ncc(Br)s1)CC1CC1 ZINC000340844798 521695069 /nfs/dbraw/zinc/69/50/69/521695069.db2.gz KEYNKBXDOBOWCI-UHFFFAOYSA-N 0 1 289.242 3.528 20 0 CHADMN CCSCCN1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000340901183 521708423 /nfs/dbraw/zinc/70/84/23/521708423.db2.gz SHYFDRUBNPBEBJ-GOEBONIOSA-N 0 1 279.449 3.510 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1nc2ccccc2n1C ZINC000072901083 521715166 /nfs/dbraw/zinc/71/51/66/521715166.db2.gz FZLWYYRNBLKBTK-ZDUSSCGKSA-N 0 1 291.464 3.537 20 0 CHADMN CCc1cnc(CN[C@@H](CC)c2ccccc2)s1 ZINC000130460979 522039180 /nfs/dbraw/zinc/03/91/80/522039180.db2.gz KXCYRHKTYWNMPF-AWEZNQCLSA-N 0 1 260.406 3.946 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2ccc(Cl)cc2)n[nH]1 ZINC000277438262 522051672 /nfs/dbraw/zinc/05/16/72/522051672.db2.gz ODNQNVGNRVAPFV-QWRGUYRKSA-N 0 1 292.814 3.822 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2ccsc2)n[nH]1 ZINC000277083188 522052142 /nfs/dbraw/zinc/05/21/42/522052142.db2.gz FUVQLPXNTBYHJB-GARJFASQSA-N 0 1 278.425 3.792 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2ccc(Cl)s2)n[nH]1 ZINC000277503897 522052891 /nfs/dbraw/zinc/05/28/91/522052891.db2.gz VRLKESMPDCNZCJ-DTWKUNHWSA-N 0 1 298.843 3.884 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@@H]2CCCc3occc32)n[nH]1 ZINC000278812693 522053346 /nfs/dbraw/zinc/05/33/46/522053346.db2.gz RZOLHXDVVLTTLT-DMDPSCGWSA-N 0 1 288.395 3.639 20 0 CHADMN CCc1nc(C)c(CN[C@@H](c2ccccc2)C2CC2)o1 ZINC000291926781 522208687 /nfs/dbraw/zinc/20/86/87/522208687.db2.gz OJFLONMGAQEEFI-KRWDZBQOSA-N 0 1 270.376 3.786 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1csc(NC(C)=O)n1 ZINC000265814062 522332757 /nfs/dbraw/zinc/33/27/57/522332757.db2.gz JWOWBWAUMGBZET-RISCZKNCSA-N 0 1 295.452 3.502 20 0 CHADMN COC[C@@H](NCCC(C)(F)F)c1cccc(Cl)c1F ZINC000297241869 522350028 /nfs/dbraw/zinc/35/00/28/522350028.db2.gz IPDJAHMOHFHJKM-LLVKDONJSA-N 0 1 295.732 3.802 20 0 CHADMN COc1cc(CN2CCCCC[C@H]2c2ccco2)ccn1 ZINC000339866054 522371678 /nfs/dbraw/zinc/37/16/78/522371678.db2.gz HZLMCVKDYTWLGZ-HNNXBMFYSA-N 0 1 286.375 3.801 20 0 CHADMN COC(=O)c1coc([C@@H](C)N[C@H]2CCc3cc(C)ccc32)c1 ZINC000278375189 522377303 /nfs/dbraw/zinc/37/73/03/522377303.db2.gz CNPRAAQDMRKBTC-WBMJQRKESA-N 0 1 299.370 3.713 20 0 CHADMN COC(=O)c1occc1CN1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000353220028 522413230 /nfs/dbraw/zinc/41/32/30/522413230.db2.gz OTQKIWREPQISBC-CZUORRHYSA-N 0 1 299.370 3.649 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2cc(F)ccc2C)n[nH]1 ZINC000277058077 522438956 /nfs/dbraw/zinc/43/89/56/522438956.db2.gz BHDAPYZSAXDYBQ-PWSUYJOCSA-N 0 1 290.386 3.617 20 0 CHADMN COc1cc(CNCc2occc2C)ccc1SC ZINC000291628746 522470544 /nfs/dbraw/zinc/47/05/44/522470544.db2.gz AITRNSSXCXIUAO-UHFFFAOYSA-N 0 1 277.389 3.608 20 0 CHADMN COc1cc(CN[C@H](C)c2ccc(F)c(Cl)c2)ccn1 ZINC000062057961 522484201 /nfs/dbraw/zinc/48/42/01/522484201.db2.gz QEPNGWUTSLLBBD-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN COc1cc(CN[C@H](C)c2ccccc2SC)ccn1 ZINC000194843990 522484353 /nfs/dbraw/zinc/48/43/53/522484353.db2.gz CXACRFZJYIHIQP-GFCCVEGCSA-N 0 1 288.416 3.663 20 0 CHADMN COc1cc(Cl)ccc1CN[C@@H](C)c1cccc(O)c1 ZINC000193386311 522558650 /nfs/dbraw/zinc/55/86/50/522558650.db2.gz JUHUEOVAUKPTEN-NSHDSACASA-N 0 1 291.778 3.905 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(C)Cc1nccn1C(F)F ZINC000128710111 522630928 /nfs/dbraw/zinc/63/09/28/522630928.db2.gz ZCLVIQCEKHOOGB-AWEZNQCLSA-N 0 1 293.361 3.731 20 0 CHADMN CC[C@H](N[C@@H](C)c1nc(Cc2ccccc2)no1)C(C)C ZINC000236988384 522702230 /nfs/dbraw/zinc/70/22/30/522702230.db2.gz GUYBPHCYAOIEDX-ZFWWWQNUSA-N 0 1 287.407 3.746 20 0 CHADMN COC[C@H](c1ccc(Cl)cc1)N(C)Cc1ccncc1 ZINC000278917407 522811592 /nfs/dbraw/zinc/81/15/92/522811592.db2.gz LHJIOHAQJFXVHD-MRXNPFEDSA-N 0 1 290.794 3.555 20 0 CHADMN CCc1noc(C)c1CNCc1cc(F)cc2cccnc21 ZINC000339435374 522844540 /nfs/dbraw/zinc/84/45/40/522844540.db2.gz DWIDTZINCCOCTD-UHFFFAOYSA-N 0 1 299.349 3.523 20 0 CHADMN CC[C@@H](NCc1ccccc1COC)c1ccc(F)cn1 ZINC000161864775 522883022 /nfs/dbraw/zinc/88/30/22/522883022.db2.gz QPKUUDOWHGGGCH-MRXNPFEDSA-N 0 1 288.366 3.608 20 0 CHADMN CC[C@@H](NCc1ncccc1N(C)C)c1cccc(C)c1 ZINC000289688261 522894941 /nfs/dbraw/zinc/89/49/41/522894941.db2.gz IAUWHPJWOOBEDX-MRXNPFEDSA-N 0 1 283.419 3.697 20 0 CHADMN CC[C@@H](NCc1sccc1C)c1nccs1 ZINC000070717227 522899397 /nfs/dbraw/zinc/89/93/97/522899397.db2.gz AEXNAIJHGQTKBT-SNVBAGLBSA-N 0 1 252.408 3.754 20 0 CHADMN CCc1noc([C@H](C)N2CCCC3(CCCCC3)C2)n1 ZINC000111323300 522912258 /nfs/dbraw/zinc/91/22/58/522912258.db2.gz PGSQBBXDWDWGBV-ZDUSSCGKSA-N 0 1 277.412 3.739 20 0 CHADMN CCc1nocc1CNCCOc1ccccc1C(C)C ZINC000339256525 522940248 /nfs/dbraw/zinc/94/02/48/522940248.db2.gz XABQPJNSJPZWAM-UHFFFAOYSA-N 0 1 288.391 3.529 20 0 CHADMN CC[C@H](c1nc([C@H](N)CC(C)C)no1)c1ccccc1 ZINC000339389750 522977939 /nfs/dbraw/zinc/97/79/39/522977939.db2.gz SYXSLGNJFGNGKW-UONOGXRCSA-N 0 1 273.380 3.657 20 0 CHADMN CC[C@@H](OC1CCCCC1)c1nc([C@@H](N)CC(C)C)no1 ZINC000339396792 523035682 /nfs/dbraw/zinc/03/56/82/523035682.db2.gz YWUIAJJZYYTTGS-UONOGXRCSA-N 0 1 295.427 3.916 20 0 CHADMN CCc1sc(-c2nc([C@H](N)CC(C)C)no2)cc1C ZINC000339393827 523063731 /nfs/dbraw/zinc/06/37/31/523063731.db2.gz HRLWSHXNHJZKDC-SNVBAGLBSA-N 0 1 279.409 3.715 20 0 CHADMN CC[C@@H](c1ccccc1)N(CC)Cc1n[nH]cc1C ZINC000290436966 523098984 /nfs/dbraw/zinc/09/89/84/523098984.db2.gz NNZHYGGEHMIYLX-INIZCTEOSA-N 0 1 257.381 3.691 20 0 CHADMN CC[C@@H](c1nc(C2(N)CCCCC2)no1)c1ccccc1 ZINC000041153349 523128817 /nfs/dbraw/zinc/12/88/17/523128817.db2.gz PLXSDOLJVORXBW-CQSZACIVSA-N 0 1 285.391 3.730 20 0 CHADMN CC[C@H]1C[C@@]1(NCc1ccnc(C)n1)c1cccc(C)c1 ZINC000337422809 523384560 /nfs/dbraw/zinc/38/45/60/523384560.db2.gz RMCBMOJHRCZIHP-YJBOKZPZSA-N 0 1 281.403 3.508 20 0 CHADMN Cc1cnccc1CN[C@@H]1CCCOc2ccc(F)cc21 ZINC000336219593 534710450 /nfs/dbraw/zinc/71/04/50/534710450.db2.gz LXARQDMFZULATN-MRXNPFEDSA-N 0 1 286.350 3.533 20 0 CHADMN CCn1cc([C@@H](C)N[C@H](C)c2cccc(Cl)c2)cn1 ZINC000044495025 523460100 /nfs/dbraw/zinc/46/01/00/523460100.db2.gz ZDZAYVSZKZIGDU-VXGBXAGGSA-N 0 1 277.799 3.968 20 0 CHADMN CN(Cc1csc(-c2ccoc2)n1)CC(C)(C)C ZINC000264466131 523523134 /nfs/dbraw/zinc/52/31/34/523523134.db2.gz LTMXHWADUWVBDY-UHFFFAOYSA-N 0 1 264.394 3.881 20 0 CHADMN COCCN(Cc1c(C)noc1C)[C@@H](C)c1ccccc1 ZINC000299383511 523737443 /nfs/dbraw/zinc/73/74/43/523737443.db2.gz HRYWCSRZMNCXHL-AWEZNQCLSA-N 0 1 288.391 3.501 20 0 CHADMN COc1ccc(C)cc1CN[C@H](c1cccnc1)C1CC1 ZINC000340108334 523814111 /nfs/dbraw/zinc/81/41/11/523814111.db2.gz HSXYATMLFDZBQH-SFHVURJKSA-N 0 1 282.387 3.640 20 0 CHADMN CO[C@H](C)CN(Cc1sccc1Cl)C(C)C ZINC000338548543 523879533 /nfs/dbraw/zinc/87/95/33/523879533.db2.gz IZIUUZIWKYHYHP-SNVBAGLBSA-N 0 1 261.818 3.647 20 0 CHADMN COCCO[C@H]1CCCN([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000340803818 524035701 /nfs/dbraw/zinc/03/57/01/524035701.db2.gz TZPWOYFRZPPTHL-BBRMVZONSA-N 0 1 297.826 3.528 20 0 CHADMN COc1cccc([C@H](C)NCc2ccccc2OC)c1 ZINC000019903210 524153204 /nfs/dbraw/zinc/15/32/04/524153204.db2.gz KWEWWABAVGIPJF-ZDUSSCGKSA-N 0 1 271.360 3.555 20 0 CHADMN Cc1ccc(C)c([C@@H]2CCCN2Cc2ncc(C)cn2)c1 ZINC000340688986 524206519 /nfs/dbraw/zinc/20/65/19/524206519.db2.gz HEKGUANBGFREBB-KRWDZBQOSA-N 0 1 281.403 3.739 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCCC1 ZINC000052858170 524241589 /nfs/dbraw/zinc/24/15/89/524241589.db2.gz KRRBVCUAEUZRLO-AWEZNQCLSA-N 0 1 274.408 3.541 20 0 CHADMN Cc1cc(C)c(C[N@H+]2CCC[C@H](CC(=O)[O-])CC2)c(C)c1 ZINC000299746063 524260105 /nfs/dbraw/zinc/26/01/05/524260105.db2.gz VBHSUQDPQMGZHW-INIZCTEOSA-N 0 1 289.419 3.689 20 0 CHADMN Cc1cc(C)c(CNCc2cn3ccccc3n2)c(C)c1 ZINC000072726607 524270947 /nfs/dbraw/zinc/27/09/47/524270947.db2.gz HMRCYVILMWPWER-UHFFFAOYSA-N 0 1 279.387 3.549 20 0 CHADMN Cc1cc(C)c(NC(=O)CN(C)CC2(C)CCC2)c(C)c1 ZINC000278238558 524282805 /nfs/dbraw/zinc/28/28/05/524282805.db2.gz NMWDXTCBMNAEQO-UHFFFAOYSA-N 0 1 288.435 3.672 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC(C)(C)CC1 ZINC000339252033 524295635 /nfs/dbraw/zinc/29/56/35/524295635.db2.gz FHUHKVSIZGMHRO-HNNXBMFYSA-N 0 1 288.435 3.752 20 0 CHADMN COc1ccc(F)cc1CN1CC[C@H](CC(F)(F)F)C1 ZINC000278706026 524309610 /nfs/dbraw/zinc/30/96/10/524309610.db2.gz JWHGJACANOMIGI-SNVBAGLBSA-N 0 1 291.288 3.609 20 0 CHADMN COc1ccc(F)cc1CN[C@@H]1CCc2c1cccc2F ZINC000275015412 524314624 /nfs/dbraw/zinc/31/46/24/524314624.db2.gz OIZHEYUXOPXHFG-MRXNPFEDSA-N 0 1 289.325 3.751 20 0 CHADMN COc1ccc(F)cc1[C@H](C)NCc1cccc(F)c1 ZINC000037089716 524331819 /nfs/dbraw/zinc/33/18/19/524331819.db2.gz VPDXHIWBMNAGCZ-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN COc1ccc(F)cc1[C@H](C)N[C@H](C)c1cccnc1 ZINC000037089908 524334427 /nfs/dbraw/zinc/33/44/27/524334427.db2.gz SECXYQGBASDSCG-NEPJUHHUSA-N 0 1 274.339 3.641 20 0 CHADMN C[C@H]1CC[C@H](NCc2ncccc2N(C)C)c2ccccc21 ZINC000289973553 524423845 /nfs/dbraw/zinc/42/38/45/524423845.db2.gz XMWBRBVXZXCYFO-YOEHRIQHSA-N 0 1 295.430 3.876 20 0 CHADMN Cc1cccc(CNCc2ccc3c(n2)CCCC3)c1 ZINC000277805366 524432939 /nfs/dbraw/zinc/43/29/39/524432939.db2.gz YBNHIWUFZACKLA-UHFFFAOYSA-N 0 1 266.388 3.559 20 0 CHADMN Cc1cccc(Cl)c1CN[C@@H](CCO)c1ccccc1 ZINC000296312247 524479970 /nfs/dbraw/zinc/47/99/70/524479970.db2.gz NRIDOBABTDIPAH-KRWDZBQOSA-N 0 1 289.806 3.862 20 0 CHADMN COc1ccccc1CN[C@@H]1CCCc2sccc21 ZINC000061324373 524489901 /nfs/dbraw/zinc/48/99/01/524489901.db2.gz VYBNLVMXMOSUHV-CQSZACIVSA-N 0 1 273.401 3.924 20 0 CHADMN C[C@@H]1CCN(Cc2csc(-c3ccoc3)n2)[C@H]1C ZINC000248337152 524516168 /nfs/dbraw/zinc/51/61/68/524516168.db2.gz HHNIOVWYUXMXEZ-MNOVXSKESA-N 0 1 262.378 3.633 20 0 CHADMN C[C@@H]1CCN(Cc2nc3ccccc3n2C(F)F)[C@H]1C ZINC000248345675 524517773 /nfs/dbraw/zinc/51/77/73/524517773.db2.gz NBENCWBOSSYYLG-MNOVXSKESA-N 0 1 279.334 3.662 20 0 CHADMN Cc1cccc(N[C@H](c2cccs2)c2nnc[nH]2)c1F ZINC000340337161 524698061 /nfs/dbraw/zinc/69/80/61/524698061.db2.gz LWEXEFOMTZFJDF-CYBMUJFWSA-N 0 1 288.351 3.515 20 0 CHADMN Cc1cc(CN2CC[C@H](C)[C@@H]2c2cccc(F)c2)ncn1 ZINC000292365692 524708153 /nfs/dbraw/zinc/70/81/53/524708153.db2.gz GCPLGFAYWUMODC-YVEFUNNKSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1cc(CN2C[C@@H](C)C[C@H]2c2ccccc2F)ncn1 ZINC000292513009 524712929 /nfs/dbraw/zinc/71/29/29/524712929.db2.gz NMMLADDQTNXWDR-SJCJKPOMSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1csc(CN(CC2CCCCC2)C2CC2)n1 ZINC000352295721 534804747 /nfs/dbraw/zinc/80/47/47/534804747.db2.gz APQRPASXKMIHSC-UHFFFAOYSA-N 0 1 264.438 3.996 20 0 CHADMN Cc1csc(CN2CCCC3(CCCCC3)C2)n1 ZINC000353567175 534806534 /nfs/dbraw/zinc/80/65/34/534806534.db2.gz SDLYIJSVBWUAGP-UHFFFAOYSA-N 0 1 264.438 3.998 20 0 CHADMN Cc1cc(CN[C@@H]2c3cccc(F)c3CC[C@@H]2C)on1 ZINC000125510753 524775179 /nfs/dbraw/zinc/77/51/79/524775179.db2.gz GQWJLLLSHHZDDS-QFYYESIMSA-N 0 1 274.339 3.535 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2ccon2)c1C ZINC000122291531 524896753 /nfs/dbraw/zinc/89/67/53/524896753.db2.gz GCLYAJABXZQGCH-MRXNPFEDSA-N 0 1 256.349 3.629 20 0 CHADMN Cc1csc(CN[C@@]2(C)CCCc3ccccc32)n1 ZINC000344313894 534819215 /nfs/dbraw/zinc/81/92/15/534819215.db2.gz GAQHPXMLGSJOJA-INIZCTEOSA-N 0 1 272.417 3.793 20 0 CHADMN Cc1cc(F)cc(N[C@@H](c2cccs2)c2nnc[nH]2)c1 ZINC000340336835 524949784 /nfs/dbraw/zinc/94/97/84/524949784.db2.gz DVIDEBWGKQXYAL-ZDUSSCGKSA-N 0 1 288.351 3.515 20 0 CHADMN Cc1cccc2nc(CNC(C)(C)c3ccccc3)cn21 ZINC000263778316 524987804 /nfs/dbraw/zinc/98/78/04/524987804.db2.gz XXOFOLZITIVSRQ-UHFFFAOYSA-N 0 1 279.387 3.668 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H](C)CC(C)C)no1 ZINC000274887675 525010482 /nfs/dbraw/zinc/01/04/82/525010482.db2.gz HCUAMXYFIIQUBQ-CYBMUJFWSA-N 0 1 273.380 3.569 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1nccn1C(C)C ZINC000293101524 525074032 /nfs/dbraw/zinc/07/40/32/525074032.db2.gz XUDFGAYDMOUJNC-UHFFFAOYSA-N 0 1 271.408 3.797 20 0 CHADMN Cc1ccccc1CN1CCO[C@@H](c2cccs2)C1 ZINC000157455652 525147230 /nfs/dbraw/zinc/14/72/30/525147230.db2.gz PXZZXOZAPXVJJU-OAHLLOKOSA-N 0 1 273.401 3.630 20 0 CHADMN COc1ccc([C@@H](NCc2ccco2)C(C)C)cc1 ZINC000066236466 525201722 /nfs/dbraw/zinc/20/17/22/525201722.db2.gz VGWGYCWFZNVHBV-INIZCTEOSA-N 0 1 259.349 3.775 20 0 CHADMN COc1ccc([C@@H]2CCCN2Cc2ccnn2C(C)C)cc1 ZINC000280146431 525250961 /nfs/dbraw/zinc/25/09/61/525250961.db2.gz AVDPEHNNXRJNMW-SFHVURJKSA-N 0 1 299.418 3.810 20 0 CHADMN COc1ccc([C@H](C)NCc2cccc(C)c2)c(OC)c1 ZINC000020134327 525324682 /nfs/dbraw/zinc/32/46/82/525324682.db2.gz JANFEELKQCFALE-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN COc1ccc([C@H](C)NCc2ccccc2F)cc1OC ZINC000019950497 525325540 /nfs/dbraw/zinc/32/55/40/525325540.db2.gz UXIWEIDGHSQESR-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN C[C@H](NCCC(F)(F)F)c1ccccc1Cl ZINC000059313240 525326568 /nfs/dbraw/zinc/32/65/68/525326568.db2.gz YKBGVQSAGBGRCX-QMMMGPOBSA-N 0 1 251.679 3.943 20 0 CHADMN Cc1ccccc1[C@@H]1CCN(Cc2nccn2C(C)C)C1 ZINC000263746682 525385078 /nfs/dbraw/zinc/38/50/78/525385078.db2.gz RYHTYLNZSABYRQ-MRXNPFEDSA-N 0 1 283.419 3.762 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2nnc(C(C)C)o2)C1 ZINC000076387218 525392569 /nfs/dbraw/zinc/39/25/69/525392569.db2.gz JWQUZVIMORYXJK-HUUCEWRRSA-N 0 1 299.418 3.879 20 0 CHADMN C[C@@H](NC1CC(F)(F)C1)c1nc2ccc(Cl)cc2n1C ZINC000277184574 525396917 /nfs/dbraw/zinc/39/69/17/525396917.db2.gz UFZBGPZRJBKDGD-MRVPVSSYSA-N 0 1 299.752 3.675 20 0 CHADMN Cc1ccccc1[C@H](NCc1cn(C(C)C)nn1)C(C)C ZINC000289536137 525430517 /nfs/dbraw/zinc/43/05/17/525430517.db2.gz CFJCNRWEOBBCAV-QGZVFWFLSA-N 0 1 286.423 3.654 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H](CCO)c2ccco2)c2ccccc21 ZINC000290013301 525446023 /nfs/dbraw/zinc/44/60/23/525446023.db2.gz BVJGBSLUWAQBEB-KCXAZCMYSA-N 0 1 271.360 3.541 20 0 CHADMN Cc1cc([C@@H](C)NCCc2c(C)oc3ccccc32)no1 ZINC000353634451 525463345 /nfs/dbraw/zinc/46/33/45/525463345.db2.gz KXKQKHVKOFBONH-GFCCVEGCSA-N 0 1 284.359 3.931 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccnn2C(C)C)c(C)s1 ZINC000279907522 525469198 /nfs/dbraw/zinc/46/91/98/525469198.db2.gz LRYLKTOUNXYAKC-GFCCVEGCSA-N 0 1 277.437 3.993 20 0 CHADMN CSCCN(Cc1ccco1)Cc1cccc(C)c1 ZINC000340690458 525502858 /nfs/dbraw/zinc/50/28/58/525502858.db2.gz FHBDTKVJCICYIA-UHFFFAOYSA-N 0 1 275.417 3.953 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN(CC2=CCCOC2)C2CC2)o1 ZINC000129855426 525506654 /nfs/dbraw/zinc/50/66/54/525506654.db2.gz DNKAQJFGCHKEFB-CXAGYDPISA-N 0 1 287.403 3.714 20 0 CHADMN C[C@@H](NCc1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000062705461 525514672 /nfs/dbraw/zinc/51/46/72/525514672.db2.gz MZTOXQMEQUYXTD-SNVBAGLBSA-N 0 1 265.278 3.955 20 0 CHADMN Cc1cccnc1CNCc1ccc(C2CCC2)cc1 ZINC000277063338 525525906 /nfs/dbraw/zinc/52/59/06/525525906.db2.gz QMVDSQGDAACRBN-UHFFFAOYSA-N 0 1 266.388 3.947 20 0 CHADMN C[C@@H](NCc1ccc2c(n1)CCCC2)c1cccs1 ZINC000278592598 525530879 /nfs/dbraw/zinc/53/08/79/525530879.db2.gz YZGOROBSALAPLJ-GFCCVEGCSA-N 0 1 272.417 3.873 20 0 CHADMN C[C@@H](NCc1cccnc1)c1cccc(OC(F)F)c1 ZINC000020141310 525540501 /nfs/dbraw/zinc/54/05/01/525540501.db2.gz VPUKIXCLUXFAKM-LLVKDONJSA-N 0 1 278.302 3.534 20 0 CHADMN C[C@@H](NCc1n[nH]c(C(C)(C)C)n1)c1cccc(Cl)c1 ZINC000292847759 525557224 /nfs/dbraw/zinc/55/72/24/525557224.db2.gz FSBZSGPAZMOIFA-SNVBAGLBSA-N 0 1 292.814 3.606 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccccc1)c1ccc(Cl)cn1 ZINC000274911279 525593495 /nfs/dbraw/zinc/59/34/95/525593495.db2.gz NEDAQJARLCJFKN-BLLLJJGKSA-N 0 1 290.794 3.509 20 0 CHADMN C[C@H](N[C@H]1CCCc2c1cnn2C)c1ccccc1Cl ZINC000037051719 525614877 /nfs/dbraw/zinc/61/48/77/525614877.db2.gz SUXBYZYGPJYFQG-NHYWBVRUSA-N 0 1 289.810 3.802 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccccc1)c1ccc(Cl)cc1 ZINC000062999139 525626458 /nfs/dbraw/zinc/62/64/58/525626458.db2.gz FOPWRQRGJLMNGK-WBMJQRKESA-N 0 1 275.779 3.724 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(CC(C)C)C2CCCC2)c1 ZINC000338679344 525631421 /nfs/dbraw/zinc/63/14/21/525631421.db2.gz ZMUMPQROVIQNIH-UHFFFAOYSA-N 0 1 299.418 3.912 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c1cnn2C)c1ccc(Cl)s1 ZINC000036992458 525638500 /nfs/dbraw/zinc/63/85/00/525638500.db2.gz CYTUFOGECISSFE-MWLCHTKSSA-N 0 1 295.839 3.863 20 0 CHADMN C[C@H](N[C@H]1C[C@H](c2ccccc2F)C1)c1cscn1 ZINC000280882580 525639026 /nfs/dbraw/zinc/63/90/26/525639026.db2.gz PIPDXZMCAIWGEM-SRVKXCTJSA-N 0 1 276.380 3.879 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccccc1)c1cccc(Cl)c1 ZINC000062999245 525669513 /nfs/dbraw/zinc/66/95/13/525669513.db2.gz UQZZGCGSTDANDS-MLGOLLRUSA-N 0 1 275.779 3.724 20 0 CHADMN C[C@@H](N[C@H]1CCn2ccnc21)c1cc2ccccc2s1 ZINC000297581208 525693612 /nfs/dbraw/zinc/69/36/12/525693612.db2.gz HDOFHCOCJGWNIQ-YPMHNXCESA-N 0 1 283.400 3.893 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H]2CCc3c2cccc3O)o1 ZINC000036960471 525745410 /nfs/dbraw/zinc/74/54/10/525745410.db2.gz UOSWTGXTZQVSDP-BXUZGUMPSA-N 0 1 257.333 3.632 20 0 CHADMN Cc1ccc([C@@H](NCc2nccn2C)C2CCCC2)cc1 ZINC000275809169 525775121 /nfs/dbraw/zinc/77/51/21/525775121.db2.gz DSSBVEXSODFTRL-SFHVURJKSA-N 0 1 283.419 3.750 20 0 CHADMN C[C@@H](O)c1ccc(CN[C@H](C)c2ccc(Cl)cn2)cc1 ZINC000274902693 525866258 /nfs/dbraw/zinc/86/62/58/525866258.db2.gz LNBCIEBBDKKKIB-VXGBXAGGSA-N 0 1 290.794 3.639 20 0 CHADMN Cc1c([C@H](C)NCc2cccc(F)c2)cnn1C(C)(C)C ZINC000191146410 525919769 /nfs/dbraw/zinc/91/97/69/525919769.db2.gz HDLWSGZSAQEOGR-LBPRGKRZSA-N 0 1 289.398 3.936 20 0 CHADMN Cc1ccc([C@H](C)NCc2ncccc2N(C)C)c(C)c1 ZINC000290007971 525930651 /nfs/dbraw/zinc/93/06/51/525930651.db2.gz ZNIUPILDQFPKFK-HNNXBMFYSA-N 0 1 283.419 3.615 20 0 CHADMN CSc1ccc(C)c(NC(=O)c2cn[nH]c2C2CC2)c1 ZINC000276958815 525983524 /nfs/dbraw/zinc/98/35/24/525983524.db2.gz YXYSZDDWYLOXPU-UHFFFAOYSA-N 0 1 287.388 3.570 20 0 CHADMN Cc1c2ccccc2oc1CN[C@@H](C)c1cnc(C)nc1C ZINC000120006990 525984700 /nfs/dbraw/zinc/98/47/00/525984700.db2.gz FDHBQNLUPPEFHS-LBPRGKRZSA-N 0 1 295.386 3.999 20 0 CHADMN Cc1ccc([C@H]2CCCCN2Cc2cc(C)ncn2)cc1 ZINC000292572724 525996474 /nfs/dbraw/zinc/99/64/74/525996474.db2.gz SSBYMJDLMSAPHX-GOSISDBHSA-N 0 1 281.403 3.821 20 0 CHADMN Cc1cn[nH]c1CN(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000290346746 526021174 /nfs/dbraw/zinc/02/11/74/526021174.db2.gz FDPIPFAPPGXDOS-LBPRGKRZSA-N 0 1 292.452 3.799 20 0 CHADMN COc1cccc(CNCc2cnc(C(C)(C)C)s2)c1 ZINC000059180840 526026120 /nfs/dbraw/zinc/02/61/20/526026120.db2.gz OGJFEOBBEIPCRO-UHFFFAOYSA-N 0 1 290.432 3.739 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cc(C)sc2C)n1 ZINC000070093429 526030945 /nfs/dbraw/zinc/03/09/45/526030945.db2.gz NIPPRNCWOQONDJ-NSHDSACASA-N 0 1 276.405 3.619 20 0 CHADMN Cc1c[nH]nc1CNC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000289957911 526031134 /nfs/dbraw/zinc/03/11/34/526031134.db2.gz QPDGHXNCDUUSCU-UHFFFAOYSA-N 0 1 297.324 3.762 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(Cl)cc1OC(F)F ZINC000289508046 526034750 /nfs/dbraw/zinc/03/47/50/526034750.db2.gz MSVIOELSXXRWAO-UHFFFAOYSA-N 0 1 287.697 3.585 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(C)c(C(F)(F)F)c1 ZINC000289468738 526036150 /nfs/dbraw/zinc/03/61/50/526036150.db2.gz IXJNPLZPSHVNTG-UHFFFAOYSA-N 0 1 269.270 3.657 20 0 CHADMN CSc1ccc(NC(=O)c2cc(C)cc3cn[nH]c32)cc1 ZINC000338640992 526040313 /nfs/dbraw/zinc/04/03/13/526040313.db2.gz WPYYPBBDAQIDAQ-UHFFFAOYSA-N 0 1 297.383 3.846 20 0 CHADMN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1cnc[nH]1 ZINC000280566030 526042854 /nfs/dbraw/zinc/04/28/54/526042854.db2.gz VPUMMCLTAAQJRR-SNVBAGLBSA-N 0 1 283.297 3.622 20 0 CHADMN C[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@H](O)CC1 ZINC000293179609 526052006 /nfs/dbraw/zinc/05/20/06/526052006.db2.gz PQPVEXGYCPBNCJ-PWSUYJOCSA-N 0 1 288.218 3.901 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262175322 526078082 /nfs/dbraw/zinc/07/80/82/526078082.db2.gz PLTBRWGYFQHVTM-PVXIVEMSSA-N 0 1 293.794 3.588 20 0 CHADMN C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(F)c(F)c1 ZINC000111240045 526078468 /nfs/dbraw/zinc/07/84/68/526078468.db2.gz BDRQQTMVTXXMAE-NSHDSACASA-N 0 1 277.314 3.863 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226454926 526103294 /nfs/dbraw/zinc/10/32/94/526103294.db2.gz SLTCCBIBLSCRFY-STQMWFEESA-N 0 1 295.810 3.978 20 0 CHADMN Cc1cnc([C@@H](C)NCCOc2cccc(Cl)c2)s1 ZINC000299409364 526123044 /nfs/dbraw/zinc/12/30/44/526123044.db2.gz SSRXYMKCVSNAMU-LLVKDONJSA-N 0 1 296.823 3.835 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)CC1CCCC1 ZINC000299388796 526175777 /nfs/dbraw/zinc/17/57/77/526175777.db2.gz DWXCPBLURCJRFE-GFCCVEGCSA-N 0 1 285.391 3.518 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)N(C)CC(C)(C)C ZINC000339257954 526187872 /nfs/dbraw/zinc/18/78/72/526187872.db2.gz XNTRAOVVWJMJLR-SNVBAGLBSA-N 0 1 279.409 3.837 20 0 CHADMN Cc1cncc(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000291660984 526191765 /nfs/dbraw/zinc/19/17/65/526191765.db2.gz FVQIEJZHNPOUCH-KGLIPLIRSA-N 0 1 286.341 3.943 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N1C[C@@H]2CCC[C@H]2C1 ZINC000276567403 526193929 /nfs/dbraw/zinc/19/39/29/526193929.db2.gz MOGDLNCMRUNKME-SNPRPXQTSA-N 0 1 283.375 3.530 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@H](C)c1cn[nH]c1 ZINC000340540366 526195243 /nfs/dbraw/zinc/19/52/43/526195243.db2.gz WKVOXNGOBRGXTQ-MNOVXSKESA-N 0 1 261.394 3.543 20 0 CHADMN Cc1ccc2nc(CN[C@@H]3CCCc4ccccc43)cn2c1 ZINC000263859405 526249201 /nfs/dbraw/zinc/24/92/01/526249201.db2.gz HVHYIOFWDFKYIV-GOSISDBHSA-N 0 1 291.398 3.810 20 0 CHADMN C[C@H](CC(C)(C)C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000337263759 526255353 /nfs/dbraw/zinc/25/53/53/526255353.db2.gz ZHCQAKCULFNRCQ-OCCSQVGLSA-N 0 1 296.480 3.539 20 0 CHADMN Cc1cnn([C@@H]2CCN(Cc3cccc(C(F)F)c3)C2)c1 ZINC000289945953 526267298 /nfs/dbraw/zinc/26/72/98/526267298.db2.gz PWSICBUIALJEGW-OAHLLOKOSA-N 0 1 291.345 3.576 20 0 CHADMN FC1(F)CC(NCc2ccccc2OC2CCCC2)C1 ZINC000277720204 526273965 /nfs/dbraw/zinc/27/39/65/526273965.db2.gz SWPKEORTTGFVDH-UHFFFAOYSA-N 0 1 281.346 3.895 20 0 CHADMN Fc1ccc([C@@H](NCc2ccc(F)cn2)C2CCC2)cc1 ZINC000276307288 526361677 /nfs/dbraw/zinc/36/16/77/526361677.db2.gz XWZDZSYTQVTSPI-KRWDZBQOSA-N 0 1 288.341 3.991 20 0 CHADMN Oc1cccc2c1CC[C@H]2NCc1cc(F)cc(Cl)c1 ZINC000275044254 526368541 /nfs/dbraw/zinc/36/85/41/526368541.db2.gz ZFGVVIIASRGQJC-OAHLLOKOSA-N 0 1 291.753 3.962 20 0 CHADMN Fc1cccc(CN(Cc2ccno2)C2CCCC2)c1 ZINC000264753408 526384031 /nfs/dbraw/zinc/38/40/31/526384031.db2.gz XDZPDNKROPPBII-UHFFFAOYSA-N 0 1 274.339 3.759 20 0 CHADMN c1c2ccccc2n2c1CN(CCC1CCOCC1)CCC2 ZINC000293190620 526401479 /nfs/dbraw/zinc/40/14/79/526401479.db2.gz FDWOIURXMHBAAK-UHFFFAOYSA-N 0 1 298.430 3.664 20 0 CHADMN c1c2ccccc2sc1CNCc1ccccn1 ZINC000339414805 526403756 /nfs/dbraw/zinc/40/37/56/526403756.db2.gz ALTCTQNZXNMEQY-UHFFFAOYSA-N 0 1 254.358 3.586 20 0 CHADMN c1cc(C2CCCCC2)ccc1CNCc1cncnc1 ZINC000292824576 526416999 /nfs/dbraw/zinc/41/69/99/526416999.db2.gz XIFCBMAHPBNEQB-UHFFFAOYSA-N 0 1 281.403 3.814 20 0 CHADMN Cc1csc([C@H](C)NCc2cccc(C)c2C)n1 ZINC000069168627 526436695 /nfs/dbraw/zinc/43/66/95/526436695.db2.gz KEQLILPAFHUUMN-ZDUSSCGKSA-N 0 1 260.406 3.919 20 0 CHADMN c1cc2c(o1)CCC[C@H]2NCc1cnn(-c2ccccc2)c1 ZINC000120769715 526445057 /nfs/dbraw/zinc/44/50/57/526445057.db2.gz OJVOTMRQVFKOPY-QGZVFWFLSA-N 0 1 293.370 3.633 20 0 CHADMN Cc1nnsc1CN[C@@H](C)c1cccc(CC(C)C)c1 ZINC000293665232 526448580 /nfs/dbraw/zinc/44/85/80/526448580.db2.gz MGGHZEYBPDXTAF-LBPRGKRZSA-N 0 1 289.448 3.896 20 0 CHADMN c1ccc(SCCSc2nc(C3CC3)n[nH]2)cc1 ZINC000129415464 526489255 /nfs/dbraw/zinc/48/92/55/526489255.db2.gz KBUSCRSANNCLMZ-UHFFFAOYSA-N 0 1 277.418 3.567 20 0 CHADMN c1ccc(SCCSc2n[nH]c(C3CC3)n2)cc1 ZINC000129415464 526489260 /nfs/dbraw/zinc/48/92/60/526489260.db2.gz KBUSCRSANNCLMZ-UHFFFAOYSA-N 0 1 277.418 3.567 20 0 CHADMN Cc1n[nH]cc1CN(C)[C@H](C)c1cccc(Cl)c1 ZINC000130373867 526547366 /nfs/dbraw/zinc/54/73/66/526547366.db2.gz NWIKSRGFPLWLFS-LLVKDONJSA-N 0 1 263.772 3.565 20 0 CHADMN c1[nH]nc2c1CCC[C@H]2NCc1cccc2ccccc21 ZINC000280032121 526590285 /nfs/dbraw/zinc/59/02/85/526590285.db2.gz YDGZYONGDQNVHO-QGZVFWFLSA-N 0 1 277.371 3.730 20 0 CHADMN Cc1nocc1CN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000293401839 526694578 /nfs/dbraw/zinc/69/45/78/526694578.db2.gz YCYYUDATILITBF-VIFPVBQESA-N 0 1 284.281 3.853 20 0 CHADMN Cc1nsc(Sc2nc3ccc(Cl)cc3[nH]2)n1 ZINC000301923317 526717201 /nfs/dbraw/zinc/71/72/01/526717201.db2.gz HCGPMRZEANLVKX-UHFFFAOYSA-N 0 1 282.781 3.527 20 0 CHADMN CC(C)(C)[C@H]1CN(C(=O)c2ccc(CN)o2)c2ccccc21 ZINC000335030695 526736640 /nfs/dbraw/zinc/73/66/40/526736640.db2.gz OJMDQFZZAWUZBD-AWEZNQCLSA-N 0 1 298.386 3.528 20 0 CHADMN Cc1sccc1CNCc1nc2ccc(C)cc2[nH]1 ZINC000339289743 526917259 /nfs/dbraw/zinc/91/72/59/526917259.db2.gz HQNKDNCKLRSMMG-UHFFFAOYSA-N 0 1 271.389 3.531 20 0 CHADMN Cc1sccc1CN[C@@H]1COc2ccc(Cl)cc21 ZINC000339299110 526918389 /nfs/dbraw/zinc/91/83/89/526918389.db2.gz JXXFREMHNOAHEC-CYBMUJFWSA-N 0 1 279.792 3.933 20 0 CHADMN Cc1nc(F)ccc1CNC(C)(C)c1cccc(F)c1 ZINC000278476199 526947352 /nfs/dbraw/zinc/94/73/52/526947352.db2.gz JZPJTZWMAQYBBP-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN Clc1ccc(CNCc2ccc3cc[nH]c3n2)s1 ZINC000353218166 526947527 /nfs/dbraw/zinc/94/75/27/526947527.db2.gz JIFOYQPITOBROP-UHFFFAOYSA-N 0 1 277.780 3.568 20 0 CHADMN Clc1ccc(CNCc2ccc3ncccc3c2)o1 ZINC000340406958 526948801 /nfs/dbraw/zinc/94/88/01/526948801.db2.gz CWOKQWFYNYOSPF-UHFFFAOYSA-N 0 1 272.735 3.771 20 0 CHADMN Clc1cccc(-c2cnc(CN3CCCC3)o2)c1 ZINC000066405318 526970548 /nfs/dbraw/zinc/97/05/48/526970548.db2.gz ZCNAFYKPKMLUJR-UHFFFAOYSA-N 0 1 262.740 3.591 20 0 CHADMN Clc1cccc(S[C@@H]2CCN(Cc3ccno3)C2)c1 ZINC000292380513 526982304 /nfs/dbraw/zinc/98/23/04/526982304.db2.gz JNBTXCTZGUMLEV-CQSZACIVSA-N 0 1 294.807 3.695 20 0 CHADMN Clc1ncc(CN2CC[C@@H](c3ccccc3)C2)s1 ZINC000094194865 527008853 /nfs/dbraw/zinc/00/88/53/527008853.db2.gz PTSAJWGQZYBCDA-GFCCVEGCSA-N 0 1 278.808 3.786 20 0 CHADMN NC1(c2noc(-c3cc4ccccc4o3)n2)CCCCC1 ZINC000041153390 527132350 /nfs/dbraw/zinc/13/23/50/527132350.db2.gz GLASHYZMDZFWSP-UHFFFAOYSA-N 0 1 283.331 3.601 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCCCC(C)(C)C2)[nH]1 ZINC000338604614 527149763 /nfs/dbraw/zinc/14/97/63/527149763.db2.gz CVCKKMJUKDCXJF-UHFFFAOYSA-N 0 1 285.391 3.524 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)[C@@H](C)c2ccccc2)[nH]1 ZINC000338501098 527150391 /nfs/dbraw/zinc/15/03/91/527150391.db2.gz KASVBGOSDAZWAT-LBPRGKRZSA-N 0 1 293.370 3.705 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@H](C(C)C)CC2)[nH]1 ZINC000338536746 527151665 /nfs/dbraw/zinc/15/16/65/527151665.db2.gz QVBVVYKWYNJEIG-AWEZNQCLSA-N 0 1 299.418 3.770 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@H]2CCC(C)C)[nH]1 ZINC000338553242 527152126 /nfs/dbraw/zinc/15/21/26/527152126.db2.gz UDIDHCFUQCTYJN-AWEZNQCLSA-N 0 1 299.418 3.912 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3c(C)cccc3C)c2[nH]1 ZINC000338573882 527154917 /nfs/dbraw/zinc/15/49/17/527154917.db2.gz MBQQLKGMRVCLDS-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN Cc1ncc(CN(Cc2ccccc2)C2CC2)s1 ZINC000299128081 527253646 /nfs/dbraw/zinc/25/36/46/527253646.db2.gz KAWGNYPFPNXOOJ-UHFFFAOYSA-N 0 1 258.390 3.616 20 0 CHADMN Cc1ncc(CNCc2ccc3c(c2)CCCC3)s1 ZINC000292024144 527274261 /nfs/dbraw/zinc/27/42/61/527274261.db2.gz XMBJFCANDBZLHQ-UHFFFAOYSA-N 0 1 272.417 3.620 20 0 CHADMN O=C(Nc1cccc(C(F)F)c1)c1ccc2cncn2c1 ZINC000339922392 527334511 /nfs/dbraw/zinc/33/45/11/527334511.db2.gz GUZJKJUPMDALBO-UHFFFAOYSA-N 0 1 287.269 3.524 20 0 CHADMN Cc1nccc(CN[C@H](CC2CCC2)c2ccccc2)n1 ZINC000339343644 527338795 /nfs/dbraw/zinc/33/87/95/527338795.db2.gz XPQYGJQQYGFKRN-GOSISDBHSA-N 0 1 281.403 3.806 20 0 CHADMN Cc1ncsc1CN[C@@H](C)c1ccccc1OC(F)F ZINC000071212517 527513002 /nfs/dbraw/zinc/51/30/02/527513002.db2.gz GATJDPWZDCOLSU-VIFPVBQESA-N 0 1 298.358 3.904 20 0 CHADMN O=C([O-])CCC[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000262231412 527584832 /nfs/dbraw/zinc/58/48/32/527584832.db2.gz MGJDYMCBKFHLQF-UHFFFAOYSA-N 0 1 283.371 3.669 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1cncc(C)c1 ZINC000271446980 527588842 /nfs/dbraw/zinc/58/88/42/527588842.db2.gz FVCLBHSHRXLONJ-ZDUSSCGKSA-N 0 1 286.423 3.501 20 0 CHADMN Cc1nn(C)cc1CN(Cc1ccc(Cl)cc1)C1CC1 ZINC000130103741 527692494 /nfs/dbraw/zinc/69/24/94/527692494.db2.gz RCMINCVTSAZGKY-UHFFFAOYSA-N 0 1 289.810 3.547 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(C2CC2)cc1F ZINC000293276541 527696859 /nfs/dbraw/zinc/69/68/59/527696859.db2.gz CQTHDJPOFDXRRP-LLVKDONJSA-N 0 1 287.382 3.596 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1ccccc1Cl ZINC000087406896 527697123 /nfs/dbraw/zinc/69/71/23/527697123.db2.gz PQAHBJGUOXISJT-GHMZBOCLSA-N 0 1 277.799 3.794 20 0 CHADMN CC(C)CC[C@H]1CCCCN1C(=O)c1cccc2c[nH]nc21 ZINC000354955452 527854036 /nfs/dbraw/zinc/85/40/36/527854036.db2.gz WZKXQJCFVQRKQE-OAHLLOKOSA-N 0 1 299.418 3.994 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1Cc1csc(COC)n1 ZINC000353997028 527878486 /nfs/dbraw/zinc/87/84/86/527878486.db2.gz HFJVJCUZNDGMPY-TZMCWYRMSA-N 0 1 282.453 3.690 20 0 CHADMN CC(C)CCn1cccc1CN1CCC[C@H]2COCC[C@H]21 ZINC000355101000 527885935 /nfs/dbraw/zinc/88/59/35/527885935.db2.gz BRZNXJUYUSESTR-FUHWJXTLSA-N 0 1 290.451 3.535 20 0 CHADMN CC(C)CCn1cccc1CN1CCC[C@@H]2COCC[C@H]21 ZINC000355101001 527886418 /nfs/dbraw/zinc/88/64/18/527886418.db2.gz BRZNXJUYUSESTR-SJLPKXTDSA-N 0 1 290.451 3.535 20 0 CHADMN CC(C)CCn1cccc1CN(C)C[C@H]1CCCCO1 ZINC000352669704 527886889 /nfs/dbraw/zinc/88/68/89/527886889.db2.gz AWCIOBRWSOKMCL-QGZVFWFLSA-N 0 1 278.440 3.535 20 0 CHADMN CC(C)OCCCN(C)Cc1cnc(C(C)(C)C)s1 ZINC000353742328 527936473 /nfs/dbraw/zinc/93/64/73/527936473.db2.gz UKQSAOSVTPUGPJ-UHFFFAOYSA-N 0 1 284.469 3.688 20 0 CHADMN CCO[C@@H]1C[C@H](NCc2nc(C)sc2C)C1(CC)CC ZINC000344296355 527945631 /nfs/dbraw/zinc/94/56/31/527945631.db2.gz LSERIKABMUDSQR-LSDHHAIUSA-N 0 1 296.480 3.833 20 0 CHADMN CC(C)c1cnc(CN[C@@H]2CCCC(F)(F)C2)s1 ZINC000344344324 528215865 /nfs/dbraw/zinc/21/58/65/528215865.db2.gz DDEWYHWCJPUMEX-SNVBAGLBSA-N 0 1 274.380 3.934 20 0 CHADMN CCN(CCC1CC1)Cc1nccn1Cc1ccccc1 ZINC000355059210 528427056 /nfs/dbraw/zinc/42/70/56/528427056.db2.gz MVVFFCRIQWRBJA-UHFFFAOYSA-N 0 1 283.419 3.553 20 0 CHADMN CCOC(C)(C)CNc1cc(C)nc2ccc(F)cc21 ZINC000302508380 528433742 /nfs/dbraw/zinc/43/37/42/528433742.db2.gz RPSGJPLWHQSACA-UHFFFAOYSA-N 0 1 276.355 3.909 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C2CCCCCC2)c1 ZINC000332332620 528459312 /nfs/dbraw/zinc/45/93/12/528459312.db2.gz OCSNRYRMCIQHEV-UHFFFAOYSA-N 0 1 289.375 3.894 20 0 CHADMN CCOc1ccc2nc(SCC[C@H]3CCCO3)[nH]c2c1 ZINC000344593448 528626098 /nfs/dbraw/zinc/62/60/98/528626098.db2.gz CCZXRDHFXIQFQP-LLVKDONJSA-N 0 1 292.404 3.623 20 0 CHADMN CCOCCCN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000352657613 528666506 /nfs/dbraw/zinc/66/65/06/528666506.db2.gz BBQPTWZTBOHPFP-CQSZACIVSA-N 0 1 253.773 3.513 20 0 CHADMN CCOc1ccccc1C1=CCN(Cc2ccco2)CC1 ZINC000352856617 528713410 /nfs/dbraw/zinc/71/34/10/528713410.db2.gz GXXQWCVTWRWJKJ-UHFFFAOYSA-N 0 1 283.371 3.968 20 0 CHADMN CCCc1nc(CN2CC[C@H](C)[C@@H](C)C2)cs1 ZINC000347575671 528748120 /nfs/dbraw/zinc/74/81/20/528748120.db2.gz XRKLXBPWNHWFLM-RYUDHWBXSA-N 0 1 252.427 3.574 20 0 CHADMN CCN(Cc1cccc(OC)n1)[C@H](C)c1ccc(F)cc1 ZINC000353297119 528814202 /nfs/dbraw/zinc/81/42/02/528814202.db2.gz REUFMZMSOUYBIL-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN CCC(CC)c1cc(C(=O)Nc2ccc3nc[nH]c3c2)on1 ZINC000352627594 528877080 /nfs/dbraw/zinc/87/70/80/528877080.db2.gz WJQHSVWESVPSAI-UHFFFAOYSA-N 0 1 298.346 3.707 20 0 CHADMN CC1(C)CCN(Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000336528515 529011020 /nfs/dbraw/zinc/01/10/20/529011020.db2.gz XNQPXRGITGACAC-CYBMUJFWSA-N 0 1 280.437 3.617 20 0 CHADMN CC1(C)CN(Cc2cnc3ccccc3c2)[C@@H]2CCC[C@H]2O1 ZINC000347186544 529125012 /nfs/dbraw/zinc/12/50/12/529125012.db2.gz OEXIPIMUGUHVOZ-QZTJIDSGSA-N 0 1 296.414 3.767 20 0 CHADMN CC[C@@H](NCc1cccc(N(C)C)c1)c1ccc(F)cn1 ZINC000352726038 529186010 /nfs/dbraw/zinc/18/60/10/529186010.db2.gz SAESSMVOILOPRR-MRXNPFEDSA-N 0 1 287.382 3.528 20 0 CHADMN CC[C@@H](N[C@@H](CCOC)c1ccccc1)c1nccs1 ZINC000347911086 529201404 /nfs/dbraw/zinc/20/14/04/529201404.db2.gz KNTAHHDXTNSBIV-CABCVRRESA-N 0 1 290.432 3.962 20 0 CHADMN CC[C@@H](N[C@H](C)c1nc(C)cc(=O)[nH]1)c1ccc(C)cc1 ZINC000192722724 529206588 /nfs/dbraw/zinc/20/65/88/529206588.db2.gz SYRUZLLWELHMCA-UKRRQHHQSA-N 0 1 285.391 3.601 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2ccc(C)cc21)c1ccn(C)n1 ZINC000352605498 529207398 /nfs/dbraw/zinc/20/73/98/529207398.db2.gz NXJQLJXDJFUADR-SJORKVTESA-N 0 1 283.419 3.847 20 0 CHADMN CC[C@H]1CN(Cc2cccc(-c3ccncc3)c2)C[C@@H](C)O1 ZINC000352717748 529296781 /nfs/dbraw/zinc/29/67/81/529296781.db2.gz CBVFATYYKYVIAP-BEFAXECRSA-N 0 1 296.414 3.748 20 0 CHADMN CC[C@@H]1CCCN1Cc1csc(-c2ccccn2)n1 ZINC000352653261 529302072 /nfs/dbraw/zinc/30/20/72/529302072.db2.gz VTUQJQXILNZOAN-CYBMUJFWSA-N 0 1 273.405 3.580 20 0 CHADMN CC[N@@H+](Cc1cc(C(=O)[O-])co1)[C@@H](C)c1ccc(F)cc1 ZINC000565780052 599848207 /nfs/dbraw/zinc/84/82/07/599848207.db2.gz NEXAYQCJRMKXTD-NSHDSACASA-N 0 1 291.322 3.700 20 0 CHADMN CC[C@H](C)[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccccc1 ZINC000387228526 599848921 /nfs/dbraw/zinc/84/89/21/599848921.db2.gz MQQOTIKUSJRQAD-ZDUSSCGKSA-N 0 1 287.359 3.779 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])co2)cc1C ZINC000738583680 599849457 /nfs/dbraw/zinc/84/94/57/599849457.db2.gz PZTUWANVPSRFIX-QGZVFWFLSA-N 0 1 299.370 3.932 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000394933343 599997927 /nfs/dbraw/zinc/99/79/27/599997927.db2.gz XBTOHFZMPSVONH-CYBMUJFWSA-N 0 1 269.344 3.578 20 0 CHADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000740079278 600085262 /nfs/dbraw/zinc/08/52/62/600085262.db2.gz NPRVERPZZAZNIV-KRWDZBQOSA-N 0 1 299.345 3.861 20 0 CHADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000316277986 600089679 /nfs/dbraw/zinc/08/96/79/600089679.db2.gz RXQHRFMWQYHWSK-AWEZNQCLSA-N 0 1 299.345 3.513 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCCC[C@H]1c1ccco1 ZINC000738964780 600217158 /nfs/dbraw/zinc/21/71/58/600217158.db2.gz WUCIWDVKUTVROF-ZDUSSCGKSA-N 0 1 289.331 3.606 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])oc2C)o1 ZINC000571930747 600217884 /nfs/dbraw/zinc/21/78/84/600217884.db2.gz QRWYRKDSAZAXAP-CYBMUJFWSA-N 0 1 289.331 3.525 20 0 CHADMN Cc1cc(C[N@H+]2CCCC[C@H]2c2ccco2)oc1C(=O)[O-] ZINC000738381663 600218115 /nfs/dbraw/zinc/21/81/15/600218115.db2.gz AOSXEHBXFWKLMR-ZDUSSCGKSA-N 0 1 289.331 3.606 20 0 CHADMN O=C([O-])CCC[N@@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000116392972 600228276 /nfs/dbraw/zinc/22/82/76/600228276.db2.gz WVTUMARYRWCHMD-UHFFFAOYSA-N 0 1 297.345 3.574 20 0 CHADMN CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1cc(C)c(C(=O)[O-])o1 ZINC000736880585 600432966 /nfs/dbraw/zinc/43/29/66/600432966.db2.gz SBAWTRXQIYXARR-FZMZJTMJSA-N 0 1 279.380 3.687 20 0 CHADMN CN(Cc1ccc(C(=O)[O-])cc1)c1cc[nH+]c2ccsc21 ZINC000737471320 600671617 /nfs/dbraw/zinc/67/16/17/600671617.db2.gz TXBAUZNPXQXIJQ-UHFFFAOYSA-N 0 1 298.367 3.631 20 0 CHADMN CCC[C@H](C)[N@@H+](C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000570456830 600816686 /nfs/dbraw/zinc/81/66/86/600816686.db2.gz NMZGNLCQMMHQFS-NSHDSACASA-N 0 1 299.798 3.537 20 0 CHADMN Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])co2)c1C ZINC000738698588 600966559 /nfs/dbraw/zinc/96/65/59/600966559.db2.gz OSMGERZEDSAXGA-QGZVFWFLSA-N 0 1 299.370 3.932 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccoc2C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000652427825 600974896 /nfs/dbraw/zinc/97/48/96/600974896.db2.gz QCPKIWXPNGJJNJ-BBRMVZONSA-N 0 1 299.370 3.603 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@H]1c1ccsc1 ZINC000583939803 600988221 /nfs/dbraw/zinc/98/82/21/600988221.db2.gz DAOHIDFPTLLJDG-QWHCGFSZSA-N 0 1 267.394 3.528 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000828456982 601042767 /nfs/dbraw/zinc/04/27/67/601042767.db2.gz PLDAWPKZUZWARJ-GUYCJALGSA-N 0 1 281.355 3.578 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000827928973 601116563 /nfs/dbraw/zinc/11/65/63/601116563.db2.gz SLZKUANOLJPTJV-WDEREUQCSA-N 0 1 271.316 3.616 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000827928973 601116565 /nfs/dbraw/zinc/11/65/65/601116565.db2.gz SLZKUANOLJPTJV-WDEREUQCSA-N 0 1 271.316 3.616 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc2ccccc2o1 ZINC000573808410 601118991 /nfs/dbraw/zinc/11/89/91/601118991.db2.gz KLPXPBGWWZTNFM-CQSZACIVSA-N 0 1 275.348 3.508 20 0 CHADMN C/C(=C/C[N@H+](C)C1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000825729616 601179854 /nfs/dbraw/zinc/17/98/54/601179854.db2.gz IHELVRPQFUSWDR-QBFSEMIESA-N 0 1 293.366 3.719 20 0 CHADMN Cc1cc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)oc1C(=O)[O-] ZINC000568067097 601329573 /nfs/dbraw/zinc/32/95/73/601329573.db2.gz LWFUEIGQEYSBNN-CJNGLKHVSA-N 0 1 299.370 3.664 20 0 CHADMN C[C@H](Cc1ccsc1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000689977079 601449059 /nfs/dbraw/zinc/44/90/59/601449059.db2.gz QPVKDBULBFMJEJ-GFCCVEGCSA-N 0 1 289.400 3.509 20 0 CHADMN CC[N@@H+](Cc1cccs1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000233466154 601614511 /nfs/dbraw/zinc/61/45/11/601614511.db2.gz SMWFMEHZIKVCCL-UHFFFAOYSA-N 0 1 293.363 3.608 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)C1CCCC1 ZINC000659785122 601626439 /nfs/dbraw/zinc/62/64/39/601626439.db2.gz BJFKGOQQMYWGFK-UHFFFAOYSA-N 0 1 279.355 3.677 20 0 CHADMN CC[C@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000234037043 601640916 /nfs/dbraw/zinc/64/09/16/601640916.db2.gz HSIIGBZLAXBWST-ZDUSSCGKSA-N 0 1 279.355 3.679 20 0 CHADMN CC[C@]1(C)CCC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000568664697 601646537 /nfs/dbraw/zinc/64/65/37/601646537.db2.gz QYRYQEFPMJLELL-MRXNPFEDSA-N 0 1 279.355 3.536 20 0 CHADMN CC[N@@H+](Cc1ccsc1C(=O)[O-])Cc1ccc(C)cc1 ZINC000699474280 601810242 /nfs/dbraw/zinc/81/02/42/601810242.db2.gz NOVKQBITVVBOLI-UHFFFAOYSA-N 0 1 289.400 3.777 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000565103116 601827466 /nfs/dbraw/zinc/82/74/66/601827466.db2.gz IGXUQKBKMIIKFQ-MDZLAQPJSA-N 0 1 279.405 3.599 20 0 CHADMN CC[C@H]1CCCCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000125288860 601828624 /nfs/dbraw/zinc/82/86/24/601828624.db2.gz MICOJSYMPANLAR-LBPRGKRZSA-N 0 1 267.394 3.601 20 0 CHADMN Cc1cc([C@@H](C)[N@H+](C)Cc2ccccc2F)oc1C(=O)[O-] ZINC000565104000 604383515 /nfs/dbraw/zinc/38/35/15/604383515.db2.gz LXVRLHCGZHAZRJ-LLVKDONJSA-N 0 1 291.322 3.618 20 0 CHADMN Cc1cc([C@@H](C)[N@@H+](C)Cc2ccccc2F)oc1C(=O)[O-] ZINC000565104000 604383520 /nfs/dbraw/zinc/38/35/20/604383520.db2.gz LXVRLHCGZHAZRJ-LLVKDONJSA-N 0 1 291.322 3.618 20 0 CHADMN C[N@@H+](Cc1cc2ccccc2o1)Cc1ccccc1C(=O)[O-] ZINC000833694428 604663443 /nfs/dbraw/zinc/66/34/43/604663443.db2.gz QOFXRPJBFHXYJU-UHFFFAOYSA-N 0 1 295.338 3.763 20 0 CHADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CCCCC(F)(F)F)C1 ZINC000652498757 604944660 /nfs/dbraw/zinc/94/46/60/604944660.db2.gz RYPYELRVEHMPJN-LLVKDONJSA-N 0 1 295.345 3.542 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000572653403 605137819 /nfs/dbraw/zinc/13/78/19/605137819.db2.gz KSMHBXWBBNDWOO-HSMVNMDESA-N 0 1 277.364 3.551 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1Cl ZINC000050924993 948921542 /nfs/dbraw/zinc/92/15/42/948921542.db2.gz HUXNJESXSPARJA-ZDUSSCGKSA-N 0 1 299.773 3.698 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000086780135 949065255 /nfs/dbraw/zinc/06/52/55/949065255.db2.gz MZJSYVKUZDQOCD-SUMWQHHRSA-N 0 1 275.392 3.668 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC000086784580 949066228 /nfs/dbraw/zinc/06/62/28/949066228.db2.gz WPZPJOKHKODVLI-YOEHRIQHSA-N 0 1 275.392 3.633 20 0 CHADMN Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809778 949069173 /nfs/dbraw/zinc/06/91/73/949069173.db2.gz UNVYUVQTGOHBQI-LSDHHAIUSA-N 0 1 275.392 3.633 20 0 CHADMN Fc1cc(F)c(F)c(CN2CCC[C@@H]3CCC[C@H]32)c1 ZINC001137873900 1131427766 /nfs/dbraw/zinc/42/77/66/1131427766.db2.gz YEVXIUMNLLPJPP-IINYFYTJSA-N 0 1 269.310 3.868 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001589640374 949682589 /nfs/dbraw/zinc/68/25/89/949682589.db2.gz DTZOMILFQMJVIG-MGPQQGTHSA-N 0 1 255.402 3.530 20 0 CHADMN Cc1ccoc1CNCc1ccc(Br)cc1 ZINC000126731178 1125457639 /nfs/dbraw/zinc/45/76/39/1125457639.db2.gz LIIJCKXFXLRNQS-UHFFFAOYSA-N 0 1 280.165 3.640 20 0 CHADMN O=C([O-])CC[N@H+]1CCCCC[C@@H]1Cc1ccccc1Cl ZINC001595055342 951488069 /nfs/dbraw/zinc/48/80/69/951488069.db2.gz FTVOQDNPKOHALN-CQSZACIVSA-N 0 1 295.810 3.602 20 0 CHADMN CC[C@@H](C)[N@@H+](CC)Cc1cccc(C(=O)[O-])c1Cl ZINC000382233977 971804619 /nfs/dbraw/zinc/80/46/19/971804619.db2.gz VOJYFBLCBSERMO-SNVBAGLBSA-N 0 1 269.772 3.659 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccc(Cl)c2ccccc12)C(=O)[O-] ZINC000566357691 953625409 /nfs/dbraw/zinc/62/54/09/953625409.db2.gz ILFGRFWKBKVHAL-LLVKDONJSA-N 0 1 291.778 3.646 20 0 CHADMN CCN(Cc1ccccc1C)C(=O)c1cccc2c[nH]nc21 ZINC000045444559 1125461209 /nfs/dbraw/zinc/46/12/09/1125461209.db2.gz JAWUMHMOZBPGJL-UHFFFAOYSA-N 0 1 293.370 3.534 20 0 CHADMN Cc1c(C)c(C)c(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c(C)c1C ZINC000652451771 954086030 /nfs/dbraw/zinc/08/60/30/954086030.db2.gz AJUQUXGXQPHKPV-MRXNPFEDSA-N 0 1 289.419 3.525 20 0 CHADMN COC[C@@H](NC1CC(c2ccccc2F)C1)c1ccco1 ZINC000127781019 1125462287 /nfs/dbraw/zinc/46/22/87/1125462287.db2.gz PQYBRNPFNNZUQF-SEEARECTSA-N 0 1 289.350 3.642 20 0 CHADMN O=C([O-])[C@H]1CCCC[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662206093 954379708 /nfs/dbraw/zinc/37/97/08/954379708.db2.gz PKIJUQRDDIOMQP-DJIMGWMZSA-N 0 1 287.403 3.509 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@H](C)CSc1ccccc1C ZINC001589441030 954716552 /nfs/dbraw/zinc/71/65/52/954716552.db2.gz PIUNKTICNFWLOR-GXTWGEPZSA-N 0 1 295.448 3.518 20 0 CHADMN Cc1ccc2nc(Cl)c(CN3CCCC3)cc2c1 ZINC001137917086 1131434791 /nfs/dbraw/zinc/43/47/91/1131434791.db2.gz IWMYNADNZQWPAU-UHFFFAOYSA-N 0 1 260.768 3.792 20 0 CHADMN CC(=O)CCN1CCC[C@H]1c1cccc(Br)c1 ZINC000128264073 1125465831 /nfs/dbraw/zinc/46/58/31/1125465831.db2.gz MUMYISKLRJCXMM-AWEZNQCLSA-N 0 1 296.208 3.565 20 0 CHADMN C[C@H](C[N@@H+](C)C1(C(=O)[O-])CCCC1)C1CCCCC1 ZINC000388969624 972201431 /nfs/dbraw/zinc/20/14/31/972201431.db2.gz VKJDHFJUQYNZQU-CYBMUJFWSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000903408098 956833259 /nfs/dbraw/zinc/83/32/59/956833259.db2.gz OIRXYKQGVSPODI-YOEHRIQHSA-N 0 1 289.419 3.570 20 0 CHADMN CCCC[N@@H+](CCCC(=O)[O-])Cc1c(C)oc(C)c1C ZINC000903420753 956849769 /nfs/dbraw/zinc/84/97/69/956849769.db2.gz NFZQHAPYQXTRAF-UHFFFAOYSA-N 0 1 281.396 3.672 20 0 CHADMN CC(C)C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000903673675 956854244 /nfs/dbraw/zinc/85/42/44/956854244.db2.gz CXMKECKFEVNHBC-LBPRGKRZSA-N 0 1 281.421 3.704 20 0 CHADMN CCCc1cccc(C[N@H+]2CCC[C@@](CC)(C(=O)[O-])C2)c1 ZINC000904400088 956956031 /nfs/dbraw/zinc/95/60/31/956956031.db2.gz FHTLHPCVCIGLJX-GOSISDBHSA-N 0 1 289.419 3.716 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC001589257160 957010217 /nfs/dbraw/zinc/01/02/17/957010217.db2.gz YJSBRRNDDCGVGJ-JYJNAYRXSA-N 0 1 279.424 3.698 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CCCc2ccccc2C)C1 ZINC000923469001 957117173 /nfs/dbraw/zinc/11/71/73/957117173.db2.gz CFAYFAWMZNYZLT-GOSISDBHSA-N 0 1 289.419 3.504 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000923471270 957122342 /nfs/dbraw/zinc/12/23/42/957122342.db2.gz LFHGMTBVMYCUEX-KRWDZBQOSA-N 0 1 279.424 3.534 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000061449659 957581539 /nfs/dbraw/zinc/58/15/39/957581539.db2.gz RWYTWFIJNGKMDR-WMLDXEAASA-N 0 1 289.419 3.714 20 0 CHADMN CC[N@@H+](Cc1cccs1)Cc1ccc(C(=O)[O-])cc1F ZINC000062755106 957610158 /nfs/dbraw/zinc/61/01/58/957610158.db2.gz AEXJYNJZXVQYMZ-UHFFFAOYSA-N 0 1 293.363 3.608 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000091780929 958151936 /nfs/dbraw/zinc/15/19/36/958151936.db2.gz GSVPBIRKACXFBX-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC000094904721 958320843 /nfs/dbraw/zinc/32/08/43/958320843.db2.gz KCWWVVPXAFMBAO-QGZVFWFLSA-N 0 1 289.419 3.714 20 0 CHADMN Cc1oc2ccccc2c1C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000124235270 958522884 /nfs/dbraw/zinc/52/28/84/958522884.db2.gz BJSZJTPGXXILAO-HNNXBMFYSA-N 0 1 287.359 3.570 20 0 CHADMN CCCC[C@H](COC)NCc1nc(C(C)C)cs1 ZINC000128635712 1125468223 /nfs/dbraw/zinc/46/82/23/1125468223.db2.gz WVNXVEJCYVTHOH-GFCCVEGCSA-N 0 1 270.442 3.561 20 0 CHADMN Cc1cccc([C@@H]([NH2+]Cc2ccc(Cl)s2)C(=O)[O-])c1 ZINC001594397826 958788546 /nfs/dbraw/zinc/78/85/46/958788546.db2.gz MYFNDGHMMNUPFS-CYBMUJFWSA-N 0 1 295.791 3.625 20 0 CHADMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1cc(C(=O)[O-])sc1C ZINC000136275856 958897624 /nfs/dbraw/zinc/89/76/24/958897624.db2.gz NJTBESJBBYZBIK-CABZTGNLSA-N 0 1 267.394 3.518 20 0 CHADMN CCn1nccc1CN1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000128757302 1125469282 /nfs/dbraw/zinc/46/92/82/1125469282.db2.gz HGMJJWKEZKYGCS-CXAGYDPISA-N 0 1 287.382 3.625 20 0 CHADMN Fc1ccc([C@H](N[C@H]2C[C@@H]2C(F)F)c2cccnc2)cc1 ZINC000348285868 1125470698 /nfs/dbraw/zinc/47/06/98/1125470698.db2.gz XIBCXHVRHQOGCT-KKUMJFAQSA-N 0 1 292.304 3.553 20 0 CHADMN CCCC[C@@H](CC)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000227030268 959913056 /nfs/dbraw/zinc/91/30/56/959913056.db2.gz MVVSWAUWOCFQBB-PBHICJAKSA-N 0 1 289.419 3.887 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1F ZINC000236477434 960660191 /nfs/dbraw/zinc/66/01/91/960660191.db2.gz MVTHTPNWQMJCKE-ZIAGYGMSSA-N 0 1 291.366 3.536 20 0 CHADMN Cc1cc(C)c2c(c1)CC[N@H+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC001574322027 960827725 /nfs/dbraw/zinc/82/77/25/960827725.db2.gz JZWCSKKOXVZPLX-UHFFFAOYSA-N 0 1 295.382 3.560 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC000252596144 961276962 /nfs/dbraw/zinc/27/69/62/961276962.db2.gz HZCYKVMRKUPKRG-XNJGSVPQSA-N 0 1 283.371 3.696 20 0 CHADMN CC(C)=CC[N@@H+](CCC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001588797871 961410001 /nfs/dbraw/zinc/41/00/01/961410001.db2.gz ZEGOGSMUAMNBOQ-UHFFFAOYSA-N 0 1 281.783 3.583 20 0 CHADMN CCC[C@@H](NCc1c(C)nn(CC)c1C)c1ccccn1 ZINC000536585962 1125478202 /nfs/dbraw/zinc/47/82/02/1125478202.db2.gz XUXZLUKFRVQTOD-MRXNPFEDSA-N 0 1 286.423 3.546 20 0 CHADMN CC[C@H]1CCN1Cc1cc(C)c(C)cc1OC(F)F ZINC000430200237 1117854220 /nfs/dbraw/zinc/85/42/20/1117854220.db2.gz UCOCSHOMMHXRSS-ZDUSSCGKSA-N 0 1 269.335 3.889 20 0 CHADMN CC(C)N(Cc1cccs1)[C@@H](c1nccn1C)C1CC1 ZINC000637915214 1129236562 /nfs/dbraw/zinc/23/65/62/1129236562.db2.gz UQTYDDSNEMPSGB-OAHLLOKOSA-N 0 1 289.448 3.843 20 0 CHADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000312239689 963546343 /nfs/dbraw/zinc/54/63/43/963546343.db2.gz PGOVVWVFIIZLKG-GJZGRUSLSA-N 0 1 279.424 3.698 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@@H+]([C@H]1C=CCCCCC1)CC2 ZINC000313846465 963685294 /nfs/dbraw/zinc/68/52/94/963685294.db2.gz IZBIRKNPFSRTCV-KRWDZBQOSA-N 0 1 285.387 3.632 20 0 CHADMN C[C@H](c1ccccc1F)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000315954748 963958180 /nfs/dbraw/zinc/95/81/80/963958180.db2.gz IRVBPAJBZPEXKH-MLGOLLRUSA-N 0 1 299.345 3.571 20 0 CHADMN CCC(CC)C[N@@H+](CC)Cc1ccc(C(=O)[O-])s1 ZINC000109601802 967609479 /nfs/dbraw/zinc/60/94/79/967609479.db2.gz NZXATLSSWOHPJS-UHFFFAOYSA-N 0 1 269.410 3.704 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000251278614 967794148 /nfs/dbraw/zinc/79/41/48/967794148.db2.gz PYWSRRLOSGQGRZ-BDJLRTHQSA-N 0 1 297.345 3.603 20 0 CHADMN Cc1cc(C)c([C@H](C)[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c(C)c1 ZINC000398867984 968282675 /nfs/dbraw/zinc/28/26/75/968282675.db2.gz CNEPTCRJGHBUNI-RCBQFDQVSA-N 0 1 289.419 3.715 20 0 CHADMN Cc1ccc(C[N@H+](C)C2(C(=O)[O-])CCCCC2)c(Cl)c1 ZINC000394243156 972689674 /nfs/dbraw/zinc/68/96/74/972689674.db2.gz PDBKTSXJXBZCMA-UHFFFAOYSA-N 0 1 295.810 3.868 20 0 CHADMN CC[C@@H](C)[N@@H+](CCCC1CCCCC1)CC(=O)[O-] ZINC000395205870 972780962 /nfs/dbraw/zinc/78/09/62/972780962.db2.gz OKBQNPFMVYFXKW-CYBMUJFWSA-N 0 1 255.402 3.532 20 0 CHADMN CC[C@@]1(C)CC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000399359219 973216655 /nfs/dbraw/zinc/21/66/55/973216655.db2.gz FLQRESTWOJYHJS-HNNXBMFYSA-N 0 1 281.783 3.660 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccc(C(=O)[O-])c(F)c1)C(C)(C)C ZINC000399396610 973217811 /nfs/dbraw/zinc/21/78/11/973217811.db2.gz QFMFHHOZVFESCN-LLVKDONJSA-N 0 1 281.371 3.638 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000404780071 973749052 /nfs/dbraw/zinc/74/90/52/973749052.db2.gz VNRFCWAMFKQAFU-CHWSQXEVSA-N 0 1 299.370 3.701 20 0 CHADMN C[C@@H]1C[N@@H+](CC2(C)CCC2)C[C@H](c2ccsc2)O1 ZINC000340288084 1118132077 /nfs/dbraw/zinc/13/20/77/1118132077.db2.gz LLMAZJXMUOWFIC-TZMCWYRMSA-N 0 1 265.422 3.700 20 0 CHADMN C[C@@H]1CN(CC2(C)CCC2)C[C@H](c2ccsc2)O1 ZINC000340288084 1118132079 /nfs/dbraw/zinc/13/20/79/1118132079.db2.gz LLMAZJXMUOWFIC-TZMCWYRMSA-N 0 1 265.422 3.700 20 0 CHADMN C[C@H](C[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000530173925 974363047 /nfs/dbraw/zinc/36/30/47/974363047.db2.gz SCVIPJIEECFCSH-RHSMWYFYSA-N 0 1 289.419 3.961 20 0 CHADMN Cc1cc([C@@H](C)[N@H+]2CCCC(C)(C)CC2)oc1C(=O)[O-] ZINC000565365571 974580413 /nfs/dbraw/zinc/58/04/13/974580413.db2.gz CCUKIKVKYUKBPM-GFCCVEGCSA-N 0 1 279.380 3.859 20 0 CHADMN O=C([O-])c1occc1C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000565663011 974587256 /nfs/dbraw/zinc/58/72/56/974587256.db2.gz VZHGOCMMVIIDOK-ROJDOSBLSA-N 0 1 297.354 3.656 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCCC2(CCCCC2)C1 ZINC000566683663 974620097 /nfs/dbraw/zinc/62/00/97/974620097.db2.gz HGOQYTBHCWVVIG-CQSZACIVSA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])[C@@H](c1ccsc1)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000568061542 974656850 /nfs/dbraw/zinc/65/68/50/974656850.db2.gz JLFLTYCJYLAGJG-GDBMZVCRSA-N 0 1 291.416 3.696 20 0 CHADMN Cc1oc(C[N@@H+](C)CC2CCC(C)(C)CC2)cc1C(=O)[O-] ZINC000569981394 974703068 /nfs/dbraw/zinc/70/30/68/974703068.db2.gz BLTKPHIHQSHPNL-UHFFFAOYSA-N 0 1 293.407 3.934 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)CCC1CCCCC1 ZINC000570975592 974720728 /nfs/dbraw/zinc/72/07/28/974720728.db2.gz HOGRDWMJYHEELK-UHFFFAOYSA-N 0 1 293.407 3.942 20 0 CHADMN O=C([O-])[C@H](c1ccsc1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000571811966 974737187 /nfs/dbraw/zinc/73/71/87/974737187.db2.gz VJTALIAXVNIWCY-OLZOCXBDSA-N 0 1 293.413 3.772 20 0 CHADMN O=C([O-])[C@H](c1ccsc1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000571811966 974737191 /nfs/dbraw/zinc/73/71/91/974737191.db2.gz VJTALIAXVNIWCY-OLZOCXBDSA-N 0 1 293.413 3.772 20 0 CHADMN O=C([O-])CC1(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000573975503 974775236 /nfs/dbraw/zinc/77/52/36/974775236.db2.gz UGDUNCZIISCSOB-CQSZACIVSA-N 0 1 293.794 3.732 20 0 CHADMN Cc1cc(C)cc(C2=CC[N@@H+](CC3(CC(=O)[O-])CC3)CC2)c1 ZINC000578448414 974854703 /nfs/dbraw/zinc/85/47/03/974854703.db2.gz WUNDFQVMSRUDIT-UHFFFAOYSA-N 0 1 299.414 3.647 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000578660788 974860266 /nfs/dbraw/zinc/86/02/66/974860266.db2.gz VCPWLGXLKFKMIW-XJKSGUPXSA-N 0 1 293.382 3.710 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000578660786 974860390 /nfs/dbraw/zinc/86/03/90/974860390.db2.gz VCPWLGXLKFKMIW-CJNGLKHVSA-N 0 1 293.382 3.710 20 0 CHADMN C[C@@H]1CC(CC[N@@H+](CC(=O)[O-])C2CCCC2)C[C@@H](C)C1 ZINC000579861943 974884504 /nfs/dbraw/zinc/88/45/04/974884504.db2.gz ZOTOKFIVYGRZNP-KBPBESRZSA-N 0 1 281.440 3.778 20 0 CHADMN Cc1cc([C@H](C)[N@@H+](C)CCc2cccs2)oc1C(=O)[O-] ZINC000580084970 974888926 /nfs/dbraw/zinc/88/89/26/974888926.db2.gz IFHHNXLPDOYIJG-NSHDSACASA-N 0 1 293.388 3.583 20 0 CHADMN C[C@]1(C(=O)[O-])CCC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000582365329 974924977 /nfs/dbraw/zinc/92/49/77/974924977.db2.gz QSEUTNIUZMODQW-HOCLYGCPSA-N 0 1 293.794 3.514 20 0 CHADMN CC[C@@]1(C)CCC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000583267914 974938932 /nfs/dbraw/zinc/93/89/32/974938932.db2.gz JANIRPTWTJWMPQ-HOCLYGCPSA-N 0 1 295.810 3.978 20 0 CHADMN CCC[C@H](C)CCC[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000629360400 975082146 /nfs/dbraw/zinc/08/21/46/975082146.db2.gz QDOJKWNJPKYSNH-WMLDXEAASA-N 0 1 289.419 3.887 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000629364758 975084659 /nfs/dbraw/zinc/08/46/59/975084659.db2.gz SFMYPGNDCHJSQF-CQSZACIVSA-N 0 1 289.419 3.959 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1csc2ccccc12 ZINC000652397407 975520223 /nfs/dbraw/zinc/52/02/23/975520223.db2.gz TZQHMDTUPSSANX-AWEZNQCLSA-N 0 1 291.416 3.832 20 0 CHADMN Cc1ccc(C[N@@H+](Cc2occc2C(=O)[O-])C(C)C)s1 ZINC000652401723 975522185 /nfs/dbraw/zinc/52/21/85/975522185.db2.gz ZFQGARVRPMJQTN-UHFFFAOYSA-N 0 1 293.388 3.758 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000652451502 975536815 /nfs/dbraw/zinc/53/68/15/975536815.db2.gz YYZSYHWOZLUVEF-QLFBSQMISA-N 0 1 281.440 3.778 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@@H+](CC(=O)[O-])C2CCCCC2)C1 ZINC000652481984 975549482 /nfs/dbraw/zinc/54/94/82/975549482.db2.gz HPTZOWRVLKEEMX-HUUCEWRRSA-N 0 1 281.440 3.922 20 0 CHADMN C[C@H]1CCC[C@@H](CC[N@@H+](CC(=O)[O-])C2CCCCC2)C1 ZINC000652481983 975549664 /nfs/dbraw/zinc/54/96/64/975549664.db2.gz HPTZOWRVLKEEMX-GJZGRUSLSA-N 0 1 281.440 3.922 20 0 CHADMN O=C([O-])C[N@@H+](Cc1cc(F)ccc1Cl)C1CCCCC1 ZINC000652482829 975551740 /nfs/dbraw/zinc/55/17/40/975551740.db2.gz XALZAOMSVBNZFM-UHFFFAOYSA-N 0 1 299.773 3.698 20 0 CHADMN O=C([O-])c1cccc2c1C[N@@H+](CC1CCCCCC1)CC2 ZINC000652487465 975553826 /nfs/dbraw/zinc/55/38/26/975553826.db2.gz GSSRBIMDIZYAQJ-UHFFFAOYSA-N 0 1 287.403 3.713 20 0 CHADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC000652498334 975560501 /nfs/dbraw/zinc/56/05/01/975560501.db2.gz FAOVVBZDPWPKJT-OAHLLOKOSA-N 0 1 281.440 3.780 20 0 CHADMN CC[C@@H](C)[N@@H+](CC)Cc1cc(C(=O)[O-])ccc1Cl ZINC000656757914 975684871 /nfs/dbraw/zinc/68/48/71/975684871.db2.gz WUDXBLTYRWLMBQ-SNVBAGLBSA-N 0 1 269.772 3.659 20 0 CHADMN O=C([O-])[C@H](c1ccsc1)[N@H+]1CCCC2(CCCC2)CC1 ZINC000656759010 975686095 /nfs/dbraw/zinc/68/60/95/975686095.db2.gz SUSPSUYLEVTFAF-AWEZNQCLSA-N 0 1 293.432 3.920 20 0 CHADMN CC(C)C[C@H](C)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000656765389 975696573 /nfs/dbraw/zinc/69/65/73/975696573.db2.gz KROTZMVIOQPOLM-FZKCQIBNSA-N 0 1 281.440 3.634 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCCCCC2)[C@@H]2CCCC[C@H]12 ZINC000656769008 975703261 /nfs/dbraw/zinc/70/32/61/975703261.db2.gz XXQNGYBLIUHFQL-BRWVUGGUSA-N 0 1 293.451 3.922 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](CCC1CCCCCC1)C1CCC1 ZINC000659795233 975884681 /nfs/dbraw/zinc/88/46/81/975884681.db2.gz VKRUZSBFKXUQQC-CYBMUJFWSA-N 0 1 267.413 3.675 20 0 CHADMN Cc1cc([C@@H](C)[N@H+]2CCC[C@H](C3CCC3)C2)oc1C(=O)[O-] ZINC000659802281 975892604 /nfs/dbraw/zinc/89/26/04/975892604.db2.gz QFYVCTJPNATORL-OCCSQVGLSA-N 0 1 291.391 3.859 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000659801838 975892632 /nfs/dbraw/zinc/89/26/32/975892632.db2.gz LHRVXTUFTUFRPN-ZDUSSCGKSA-N 0 1 291.391 3.552 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000659803592 975893495 /nfs/dbraw/zinc/89/34/95/975893495.db2.gz KIJBPLZVLAGAEF-AWEZNQCLSA-N 0 1 293.432 3.991 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+](CCC1CC1)CC1CC1 ZINC000659803690 975893523 /nfs/dbraw/zinc/89/35/23/975893523.db2.gz MTCDEJSHRQFFGY-UHFFFAOYSA-N 0 1 293.432 3.767 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000659803593 975894062 /nfs/dbraw/zinc/89/40/62/975894062.db2.gz KIJBPLZVLAGAEF-CQSZACIVSA-N 0 1 293.432 3.991 20 0 CHADMN CC(C)c1[nH]c(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC001591910495 976318953 /nfs/dbraw/zinc/31/89/53/976318953.db2.gz GIHMEWIGFOKDNG-WFASDCNBSA-N 0 1 292.423 3.847 20 0 CHADMN CC(C)c1[nH]c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1C(=O)[O-] ZINC001591912404 976343273 /nfs/dbraw/zinc/34/32/73/976343273.db2.gz MCXWPASQAMNBCI-WFASDCNBSA-N 0 1 290.407 3.601 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@H](C(C)(C)C)C2)cc1C(=O)[O-] ZINC000708556267 977436934 /nfs/dbraw/zinc/43/69/34/977436934.db2.gz QNKLHAAKNSJFSO-LBPRGKRZSA-N 0 1 279.380 3.544 20 0 CHADMN Cc1cc(C)c(CNCc2ccc(Cl)c(F)c2)cn1 ZINC000397325739 1118231031 /nfs/dbraw/zinc/23/10/31/1118231031.db2.gz AENULGIRPKCGAX-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN CC(C)(C)O[C@H]1C[C@H](NCc2ncc(C(C)(C)C)s2)C1 ZINC000655845192 1118236862 /nfs/dbraw/zinc/23/68/62/1118236862.db2.gz SQHVEOMUFNBHRE-HAQNSBGRSA-N 0 1 296.480 3.876 20 0 CHADMN Cl/C=C/CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000049843355 1118283550 /nfs/dbraw/zinc/28/35/50/1118283550.db2.gz FVWSRQMMAICXNV-LZCJLJQNSA-N 0 1 286.187 3.970 20 0 CHADMN C/C(=C/C[N@H+]1CCCCC[C@@H]1/C=C\c1ccccc1)C(=O)[O-] ZINC000846256307 979428370 /nfs/dbraw/zinc/42/83/70/979428370.db2.gz MIQUFSAOXRDHCU-AHNCHRAISA-N 0 1 299.414 3.975 20 0 CHADMN O=C([O-])c1csc(C[N@@H+](CC2CCCCC2)C2CC2)c1 ZINC000872157144 980038902 /nfs/dbraw/zinc/03/89/02/980038902.db2.gz LSWWPVQWPUPQSF-UHFFFAOYSA-N 0 1 293.432 3.991 20 0 CHADMN Cc1ccc(C[N@H+]2C[C@H](C)CCC[C@H]2C)cc1C(=O)[O-] ZINC000872158385 980042450 /nfs/dbraw/zinc/04/24/50/980042450.db2.gz CMWZKCOPGDDDEL-TZMCWYRMSA-N 0 1 275.392 3.704 20 0 CHADMN C[C@@H](C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-])CC(C)(C)C ZINC000872159515 980044209 /nfs/dbraw/zinc/04/42/09/980044209.db2.gz IWVLDCKUBOHBJA-CZUORRHYSA-N 0 1 289.419 3.570 20 0 CHADMN C[C@H](C[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)C(C)(C)C ZINC000872161588 980051036 /nfs/dbraw/zinc/05/10/36/980051036.db2.gz CPJRYHHMCGTJPT-KBMXLJTQSA-N 0 1 289.419 3.959 20 0 CHADMN Cc1cc(C)cc(CC[N@H+](C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000901591422 980396812 /nfs/dbraw/zinc/39/68/12/980396812.db2.gz YIXBOJJPLTXOJS-UHFFFAOYSA-N 0 1 297.398 3.676 20 0 CHADMN Cc1ccc(C[N@H+](CCC(=O)[O-])CC(C)C)cc1Cl ZINC000901594886 980398008 /nfs/dbraw/zinc/39/80/08/980398008.db2.gz IQVYVNJRLIACAV-UHFFFAOYSA-N 0 1 283.799 3.581 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000901668368 980435046 /nfs/dbraw/zinc/43/50/46/980435046.db2.gz DMCLMKGDTQTQKH-KSSFIOAISA-N 0 1 299.414 3.735 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000901668366 980435143 /nfs/dbraw/zinc/43/51/43/980435143.db2.gz DMCLMKGDTQTQKH-KBXCAEBGSA-N 0 1 299.414 3.735 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000901700194 980454614 /nfs/dbraw/zinc/45/46/14/980454614.db2.gz RSQOEIOWCYKRQK-NVXWUHKLSA-N 0 1 281.440 3.946 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000901700196 980454983 /nfs/dbraw/zinc/45/49/83/980454983.db2.gz RSQOEIOWCYKRQK-WBVHZDCISA-N 0 1 281.440 3.946 20 0 CHADMN CC(C)C[N@@H+](C[C@H](C)c1ccccc1)CC(C)(C)C(=O)[O-] ZINC000901840230 980558978 /nfs/dbraw/zinc/55/89/78/980558978.db2.gz DTWVIKMFBYJBBP-HNNXBMFYSA-N 0 1 291.435 3.859 20 0 CHADMN C[N@@H+](CC1CCCCCC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000901981725 980660306 /nfs/dbraw/zinc/66/03/06/980660306.db2.gz HBLSYANYZDNOGN-MRXNPFEDSA-N 0 1 275.392 3.715 20 0 CHADMN CC[C@@H](C)[N@@H+](C/C=C\c1cc(C)c(C)cc1C)CC(=O)[O-] ZINC000901989062 980668786 /nfs/dbraw/zinc/66/87/86/980668786.db2.gz PLBMHKSDGVKMIS-XITLMJRVSA-N 0 1 289.419 3.810 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000901992093 980671021 /nfs/dbraw/zinc/67/10/21/980671021.db2.gz FXOBOCLDWUXHEG-KBPBESRZSA-N 0 1 281.440 3.778 20 0 CHADMN C[C@H]1CCCC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)C1 ZINC000902419770 980878332 /nfs/dbraw/zinc/87/83/32/980878332.db2.gz VCBISPFWGBUANH-ZDUSSCGKSA-N 0 1 298.386 3.555 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2ccc(C(=O)[O-])n2C)CC1 ZINC001595374752 980887890 /nfs/dbraw/zinc/88/78/90/980887890.db2.gz SXGVSHQCMCHCIM-UHFFFAOYSA-N 0 1 292.423 3.516 20 0 CHADMN CC(C)(CC[N@@H+](CC1CCCCC1)C1CC1)C(=O)[O-] ZINC000902512388 980915859 /nfs/dbraw/zinc/91/58/59/980915859.db2.gz IWAXPADREUSPPG-UHFFFAOYSA-N 0 1 267.413 3.532 20 0 CHADMN CCc1oc(C[N@H+]2CCCC[C@H]2C(C)C)cc1C(=O)[O-] ZINC000902518599 980917358 /nfs/dbraw/zinc/91/73/58/980917358.db2.gz OSJCONNHIWBSBB-AWEZNQCLSA-N 0 1 279.380 3.551 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCC(C)(C)C(=O)[O-])o1 ZINC000902524533 980921075 /nfs/dbraw/zinc/92/10/75/980921075.db2.gz UYJVSTAHQPXPHH-GXTWGEPZSA-N 0 1 293.407 3.862 20 0 CHADMN CCc1oc(C[N@H+]2CCC[C@@H]2CCC(C)C)cc1C(=O)[O-] ZINC000902529881 980922788 /nfs/dbraw/zinc/92/27/88/980922788.db2.gz OQIKXLDOGVZXGQ-CYBMUJFWSA-N 0 1 293.407 3.941 20 0 CHADMN CC(C)CC[C@@H]1CCC[N@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902530552 980924101 /nfs/dbraw/zinc/92/41/01/980924101.db2.gz UOBBPLZHAIUUDS-HBWSCVEGSA-N 0 1 291.391 3.778 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1ccc(C(C)C)cc1 ZINC000111691783 1118581001 /nfs/dbraw/zinc/58/10/01/1118581001.db2.gz DMNOBBXXNHREQN-KRWDZBQOSA-N 0 1 259.393 3.754 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc2ccccc21 ZINC000903402012 980958699 /nfs/dbraw/zinc/95/86/99/980958699.db2.gz HWRUMUUIOBIXLY-UHFFFAOYSA-N 0 1 291.778 3.790 20 0 CHADMN CCSc1ccccc1C[N@@H+](CCC(=O)[O-])CC(C)C ZINC000903596169 980979291 /nfs/dbraw/zinc/97/92/91/980979291.db2.gz NGMNSFGAXIGLMB-UHFFFAOYSA-N 0 1 295.448 3.731 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000903597500 980980753 /nfs/dbraw/zinc/98/07/53/980980753.db2.gz NLKGDFPGOGKPAW-PWXKEOIMSA-N 0 1 289.419 3.672 20 0 CHADMN CCc1ccc([C@@H]2CC[N@H+]([C@H](C(=O)[O-])[C@H](C)CC)C2)cc1 ZINC000903608172 980989260 /nfs/dbraw/zinc/98/92/60/980989260.db2.gz GQEOSJQMQZNHSX-XYPHTWIQSA-N 0 1 289.419 3.538 20 0 CHADMN Cc1ccc(C[N@H+](CCCC(C)C)CC2(C(=O)[O-])CC2)o1 ZINC000903625282 981001544 /nfs/dbraw/zinc/00/15/44/981001544.db2.gz IRBITTQXKIARKM-UHFFFAOYSA-N 0 1 293.407 3.691 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC23CCCCC3)s1 ZINC000903674017 981011958 /nfs/dbraw/zinc/01/19/58/981011958.db2.gz RPSSVODMSLQNEQ-UHFFFAOYSA-N 0 1 279.405 3.745 20 0 CHADMN C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903893520 981024353 /nfs/dbraw/zinc/02/43/53/981024353.db2.gz DSEAAXKQTCQENN-GFCCVEGCSA-N 0 1 298.386 3.553 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001595444399 981087889 /nfs/dbraw/zinc/08/78/89/981087889.db2.gz OJYCPPPOHLOYKO-LAXYTXAUSA-N 0 1 291.391 3.778 20 0 CHADMN CCC[C@H](C)CCC[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000905371644 981094585 /nfs/dbraw/zinc/09/45/85/981094585.db2.gz GPAVYWWUFYZCBD-HOCLYGCPSA-N 0 1 277.408 3.961 20 0 CHADMN C[C@@H]1CCC[C@@H](CC[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2)C1 ZINC000905372222 981095417 /nfs/dbraw/zinc/09/54/17/981095417.db2.gz IMEMOWDEBWMRLM-VYDXJSESSA-N 0 1 289.419 3.961 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1C[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001595447649 981095677 /nfs/dbraw/zinc/09/56/77/981095677.db2.gz IELBAIZVUPUOFM-ZNMIVQPWSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000905372219 981095798 /nfs/dbraw/zinc/09/57/98/981095798.db2.gz IMEMOWDEBWMRLM-BFYDXBDKSA-N 0 1 289.419 3.961 20 0 CHADMN CC[C@@H]1CC[N@@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)[C@H]1C ZINC001595464461 981150286 /nfs/dbraw/zinc/15/02/86/981150286.db2.gz OOVKFJQGGDPMCX-MISXGVKJSA-N 0 1 281.783 3.586 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC001595628735 981790277 /nfs/dbraw/zinc/79/02/77/981790277.db2.gz KPVHARNSKVIALN-KBPBESRZSA-N 0 1 281.783 3.730 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC001595628735 981790279 /nfs/dbraw/zinc/79/02/79/981790279.db2.gz KPVHARNSKVIALN-KBPBESRZSA-N 0 1 281.783 3.730 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](CCC)Cc1ccc(F)cc1 ZINC001595628876 981791763 /nfs/dbraw/zinc/79/17/63/981791763.db2.gz OUIYGZLTBKKVFN-OAHLLOKOSA-N 0 1 281.371 3.681 20 0 CHADMN CC[C@](C)(C(=O)[O-])[N@@H+](CC1CC1)CC1CC2(CCC2)C1 ZINC001594785426 981803740 /nfs/dbraw/zinc/80/37/40/981803740.db2.gz LSLAOVQNLYQCGE-MRXNPFEDSA-N 0 1 279.424 3.532 20 0 CHADMN CC[C@@](C)(C(=O)[O-])[N@H+](Cc1ccc(F)cc1C)CC1CC1 ZINC001594787367 981818943 /nfs/dbraw/zinc/81/89/43/981818943.db2.gz BLOXTRUGKFOVOP-KRWDZBQOSA-N 0 1 293.382 3.599 20 0 CHADMN CC[C@](C)(C(=O)[O-])[N@H+](Cc1ccc(C)cc1F)CC1CC1 ZINC001594787518 981822352 /nfs/dbraw/zinc/82/23/52/981822352.db2.gz GTODEBHTWBVQLG-QGZVFWFLSA-N 0 1 293.382 3.599 20 0 CHADMN CC[C@](C)(C(=O)[O-])[N@@H+](CCCC1CCCC1)CC1CC1 ZINC001594788422 981836798 /nfs/dbraw/zinc/83/67/98/981836798.db2.gz XMEZMBLDEQXSBU-QGZVFWFLSA-N 0 1 281.440 3.922 20 0 CHADMN CCC(C)(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594809548 981928033 /nfs/dbraw/zinc/92/80/33/981928033.db2.gz YPERSHFPDPNQQM-JKSUJKDBSA-N 0 1 289.419 3.613 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H](CO)CC1 ZINC000293290396 1118731402 /nfs/dbraw/zinc/73/14/02/1118731402.db2.gz VYTOLNAOOPKZIN-NWDGAFQWSA-N 0 1 285.790 3.635 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)N1CCC[C@@H](CO)CC1 ZINC000293290396 1118731405 /nfs/dbraw/zinc/73/14/05/1118731405.db2.gz VYTOLNAOOPKZIN-NWDGAFQWSA-N 0 1 285.790 3.635 20 0 CHADMN CCC(O)(CC)CCN[C@@H](C)c1csc(C(C)C)n1 ZINC000471798114 1118734681 /nfs/dbraw/zinc/73/46/81/1118734681.db2.gz KLFJQPDOIBHCHJ-LBPRGKRZSA-N 0 1 284.469 3.858 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC001594877673 982219351 /nfs/dbraw/zinc/21/93/51/982219351.db2.gz RGZJLOLIHBCKST-UAGQMJEPSA-N 0 1 299.414 3.879 20 0 CHADMN CCCCC[N@@H+](C(C)C)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595714596 982309936 /nfs/dbraw/zinc/30/99/36/982309936.db2.gz GACKOVDIDMQYGY-NSHDSACASA-N 0 1 284.425 3.803 20 0 CHADMN CCCC[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)[C@H]1CCC[C@@H](C)C1 ZINC001595749147 982420858 /nfs/dbraw/zinc/42/08/58/982420858.db2.gz JZSZVJGWCXCSJD-HIFRSBDPSA-N 0 1 292.423 3.894 20 0 CHADMN C[C@H](CCO)NCc1c(Cl)ccc(Cl)c1Cl ZINC000096811375 1118909641 /nfs/dbraw/zinc/90/96/41/1118909641.db2.gz RASRRPIJUSRNFZ-SSDOTTSWSA-N 0 1 282.598 3.507 20 0 CHADMN CCC[N@@H+](Cc1ccc(C(=O)[O-])o1)[C@H]1CCc2ccccc21 ZINC001595888542 982917901 /nfs/dbraw/zinc/91/79/01/982917901.db2.gz MIBLSPSXTZLNTB-INIZCTEOSA-N 0 1 299.370 3.877 20 0 CHADMN COc1cccc(C[C@H](C)NCc2ncc(Cl)s2)c1 ZINC000349650249 1118928760 /nfs/dbraw/zinc/92/87/60/1118928760.db2.gz AMCGHDROJLQSID-JTQLQIEISA-N 0 1 296.823 3.526 20 0 CHADMN C[C@@H](CNCc1nc(C(C)(C)C)co1)CC(F)(F)F ZINC000724414520 1118995085 /nfs/dbraw/zinc/99/50/85/1118995085.db2.gz VFCLWTZEMLMTDO-SECBINFHSA-N 0 1 278.318 3.650 20 0 CHADMN C[C@H](NCc1ccc(OC2CCCC2)nc1)c1cccnc1 ZINC000112531239 1125487885 /nfs/dbraw/zinc/48/78/85/1125487885.db2.gz FFZBCVAVOKJWEI-AWEZNQCLSA-N 0 1 297.402 3.649 20 0 CHADMN CC[N@@H+](Cc1occc1C)Cc1ccc(C)c(C(=O)[O-])c1 ZINC001596357620 983829502 /nfs/dbraw/zinc/82/95/02/983829502.db2.gz LNLAEOSBIAQNEC-UHFFFAOYSA-N 0 1 287.359 3.617 20 0 CHADMN CC[N@@H+](Cc1ccc(C2(C(=O)[O-])CC2)cc1)[C@@H](C)C(C)C ZINC001596359589 983834762 /nfs/dbraw/zinc/83/47/62/983834762.db2.gz KUGIYFQZFOKVHH-AWEZNQCLSA-N 0 1 289.419 3.669 20 0 CHADMN C[C@H]1CCN(Cc2cncc(Br)c2)C[C@@H](C)C1 ZINC000342752476 1119155724 /nfs/dbraw/zinc/15/57/24/1119155724.db2.gz OQMGQVAMSUROHL-RYUDHWBXSA-N 0 1 297.240 3.712 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1ncc(COC)s1 ZINC000342902332 1119238811 /nfs/dbraw/zinc/23/88/11/1119238811.db2.gz NKRZARKQYZGPRZ-CYBMUJFWSA-N 0 1 282.453 3.834 20 0 CHADMN C[C@H]1C[C@@H]([N@@H+](C)C(C)(C)CC(=O)[O-])c2ccsc2S1 ZINC001599905772 984920964 /nfs/dbraw/zinc/92/09/64/984920964.db2.gz VLHORRUDSNSHPU-GXSJLCMTSA-N 0 1 299.461 3.859 20 0 CHADMN C[C@H]1CCC[C@H](C)N(Cc2cncc(Br)c2)C1 ZINC000343529843 1119443192 /nfs/dbraw/zinc/44/31/92/1119443192.db2.gz BHMKOFONFBTVIX-RYUDHWBXSA-N 0 1 297.240 3.855 20 0 CHADMN Cc1ccoc1CN[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000282891506 1125493755 /nfs/dbraw/zinc/49/37/55/1125493755.db2.gz STKCDSQOYVWUIS-HNNXBMFYSA-N 0 1 292.810 3.634 20 0 CHADMN C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1cccc(Cl)c1Cl ZINC000134622211 1119487716 /nfs/dbraw/zinc/48/77/16/1119487716.db2.gz XOLTXJNZQGOQHJ-OUAUKWLOSA-N 0 1 286.202 3.581 20 0 CHADMN CCCCC[C@H](C)N[C@H](c1nc(C)no1)C(C)C ZINC000167917044 1119489084 /nfs/dbraw/zinc/48/90/84/1119489084.db2.gz AQGZXROJXKGAPX-AAEUAGOBSA-N 0 1 253.390 3.634 20 0 CHADMN CCCc1cccc(C(C)C)c1NC(=O)Nc1c[nH]nn1 ZINC001670843750 1125494899 /nfs/dbraw/zinc/49/48/99/1125494899.db2.gz JJMAFXMAKUOIIE-UHFFFAOYSA-N 0 1 287.367 3.525 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1nc2ccccc2[nH]1 ZINC000131929864 1125497079 /nfs/dbraw/zinc/49/70/79/1125497079.db2.gz VMPNWEWAMJSBMO-LBPRGKRZSA-N 0 1 277.437 3.526 20 0 CHADMN C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC001594669139 986978027 /nfs/dbraw/zinc/97/80/27/986978027.db2.gz ZTJGSXOVPOOQDF-LBPRGKRZSA-N 0 1 299.345 3.643 20 0 CHADMN CCc1ccc(CNCc2cccc(F)c2F)cc1 ZINC000083446798 1119635969 /nfs/dbraw/zinc/63/59/69/1119635969.db2.gz LMVZWBROWOQGTI-UHFFFAOYSA-N 0 1 261.315 3.817 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@H+]([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001594686097 987061586 /nfs/dbraw/zinc/06/15/86/987061586.db2.gz MYBZRATTZBMNII-HEKLCECKSA-N 0 1 294.420 3.581 20 0 CHADMN c1sc2ccccc2c1CNCc1ccccn1 ZINC000049943191 1125500133 /nfs/dbraw/zinc/50/01/33/1125500133.db2.gz PFDYGAZNBAWJHQ-UHFFFAOYSA-N 0 1 254.358 3.586 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001589732135 987955231 /nfs/dbraw/zinc/95/52/31/987955231.db2.gz GHOLRBQWYNPFQJ-RRFJBIMHSA-N 0 1 281.440 3.636 20 0 CHADMN CC(C)(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001589764366 988101013 /nfs/dbraw/zinc/10/10/13/988101013.db2.gz IHNKXHZVUNUYCW-SOUVJXGZSA-N 0 1 281.440 3.636 20 0 CHADMN CCc1cccc(C[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001597587489 988412749 /nfs/dbraw/zinc/41/27/49/988412749.db2.gz YVINHHHZMXUZHU-KRWDZBQOSA-N 0 1 283.371 3.507 20 0 CHADMN Cc1ccc(CN[C@@H](c2ncccc2C)C(C)C)o1 ZINC000115622903 1125505928 /nfs/dbraw/zinc/50/59/28/1125505928.db2.gz BVJBIFHTFPWKMY-OAHLLOKOSA-N 0 1 258.365 3.778 20 0 CHADMN CC(C)[N@@H+](Cn1nc(Cl)c2ccccc21)C1CC1 ZINC000180365538 1119986488 /nfs/dbraw/zinc/98/64/88/1119986488.db2.gz PLSVOEIQMXMHIY-UHFFFAOYSA-N 0 1 263.772 3.520 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccc(C)cc2)o1 ZINC000892633225 1119997108 /nfs/dbraw/zinc/99/71/08/1119997108.db2.gz ZYLCSBIHMRZGJE-ZDUSSCGKSA-N 0 1 259.349 3.838 20 0 CHADMN CSc1ccc(F)cc1CNCc1ccoc1C ZINC000414367584 1120002407 /nfs/dbraw/zinc/00/24/07/1120002407.db2.gz RQHWNXGZZUNNHU-UHFFFAOYSA-N 0 1 265.353 3.739 20 0 CHADMN Brc1cccc(CN2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000272451985 1120044305 /nfs/dbraw/zinc/04/43/05/1120044305.db2.gz WEBSYZVMGWDVEM-AAEUAGOBSA-N 0 1 295.224 3.609 20 0 CHADMN CC(C)[C@@H]1[C@@H](C(C)C)C[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC001591096745 991692803 /nfs/dbraw/zinc/69/28/03/991692803.db2.gz QYJBTHYFMNRZLU-TZMCWYRMSA-N 0 1 281.421 3.559 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC001591119527 991788373 /nfs/dbraw/zinc/78/83/73/991788373.db2.gz FLHZPYHRHWAYST-HIFRSBDPSA-N 0 1 291.391 3.696 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@H]1CCCCC1(C)C ZINC001591331827 992308615 /nfs/dbraw/zinc/30/86/15/992308615.db2.gz WRWRUQKFPRPPPY-CQSZACIVSA-N 0 1 269.429 3.636 20 0 CHADMN C[N@@H+](Cc1cc(C(=O)[O-])co1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001598506702 992512892 /nfs/dbraw/zinc/51/28/92/992512892.db2.gz FSRHJFFTXZEAJD-KGLIPLIRSA-N 0 1 279.380 3.624 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cccc(C(C)(C)C)c1 ZINC001591587016 992795464 /nfs/dbraw/zinc/79/54/64/992795464.db2.gz LCPJVMNRZYGCSV-UHFFFAOYSA-N 0 1 277.408 3.669 20 0 CHADMN C[N@@H+](Cc1ccsc1C(=O)[O-])C(C)(C)c1ccccc1 ZINC001598534492 992834869 /nfs/dbraw/zinc/83/48/69/992834869.db2.gz XBMSQFZRHWKIMJ-UHFFFAOYSA-N 0 1 289.400 3.813 20 0 CHADMN CC(C)[N@H+](Cc1ccoc1C(=O)[O-])Cc1ccccc1F ZINC001591603528 992836542 /nfs/dbraw/zinc/83/65/42/992836542.db2.gz JETSOCIDROTDCJ-UHFFFAOYSA-N 0 1 291.322 3.528 20 0 CHADMN CC(C)[N@@H+](Cc1ccoc1C(=O)[O-])Cc1ccccc1F ZINC001591603528 992836548 /nfs/dbraw/zinc/83/65/48/992836548.db2.gz JETSOCIDROTDCJ-UHFFFAOYSA-N 0 1 291.322 3.528 20 0 CHADMN CCC(=O)Nc1cc(N[C@H](C)C[C@H](C)CC)ccn1 ZINC001168694427 1120275061 /nfs/dbraw/zinc/27/50/61/1120275061.db2.gz QBMPKWRCXWMQTC-VXGBXAGGSA-N 0 1 263.385 3.667 20 0 CHADMN CCN(Cc1c(F)cccc1Cl)C[C@H]1CCCOC1 ZINC001207471672 1120338944 /nfs/dbraw/zinc/33/89/44/1120338944.db2.gz UGAVSLXXMMZYFT-GFCCVEGCSA-N 0 1 285.790 3.728 20 0 CHADMN COc1cccc(F)c1[C@H](C)NC[C@H](CC(C)C)OC ZINC000417326780 1120427459 /nfs/dbraw/zinc/42/74/59/1120427459.db2.gz BBMFQJIDYZAZLQ-STQMWFEESA-N 0 1 283.387 3.546 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001593689242 996131192 /nfs/dbraw/zinc/13/11/92/996131192.db2.gz DEWVIYPDPFKFNV-ZFWWWQNUSA-N 0 1 299.370 3.918 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC001593693401 996143974 /nfs/dbraw/zinc/14/39/74/996143974.db2.gz LKZGQOZTXXMUCS-SJKOYZFVSA-N 0 1 293.382 3.544 20 0 CHADMN C[C@H](c1ccccc1)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001593713814 996224991 /nfs/dbraw/zinc/22/49/91/996224991.db2.gz NNSYGNNFGISVIZ-CYBMUJFWSA-N 0 1 281.355 3.504 20 0 CHADMN C[C@@H](c1ccccc1F)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001593717931 996237457 /nfs/dbraw/zinc/23/74/57/996237457.db2.gz VFOHYDOCMYXGTD-LBPRGKRZSA-N 0 1 299.345 3.643 20 0 CHADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+](C)C1CCCCCCC1 ZINC001593734536 996325851 /nfs/dbraw/zinc/32/58/51/996325851.db2.gz ZGIRTUCAHUSJFU-LLVKDONJSA-N 0 1 296.436 3.947 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(C)oc2C)cc1 ZINC000020437839 1120621632 /nfs/dbraw/zinc/62/16/32/1120621632.db2.gz UBCWKQHKFRHVOD-GFCCVEGCSA-N 0 1 259.349 3.756 20 0 CHADMN CC(C)[C@H](C)N(Cc1ccncc1Br)C1CC1 ZINC000625083542 1120631320 /nfs/dbraw/zinc/63/13/20/1120631320.db2.gz GXHXXJZGAFKHRC-NSHDSACASA-N 0 1 297.240 3.853 20 0 CHADMN CCO[C@@H](CN(C)[C@@H](C)c1cc(F)ccc1F)C1CC1 ZINC000625087993 1120632221 /nfs/dbraw/zinc/63/22/21/1120632221.db2.gz HYYUHMPHTJMGNY-ZBEGNZNMSA-N 0 1 283.362 3.773 20 0 CHADMN CC1(C)C[C@@H](c2ccccc2)[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC001593863536 996663287 /nfs/dbraw/zinc/66/32/87/996663287.db2.gz HXSLNXHJTGBPQZ-INIZCTEOSA-N 0 1 299.370 3.951 20 0 CHADMN CC1(C)CCCC[C@H]1C[N@@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC001593904799 996784412 /nfs/dbraw/zinc/78/44/12/996784412.db2.gz LSKJBTDUWWOIMY-ZDUSSCGKSA-N 0 1 279.424 3.675 20 0 CHADMN C[C@@H](c1nc2cc(Cl)ccc2[nH]1)N(C)CCCF ZINC000660710374 1120679840 /nfs/dbraw/zinc/67/98/40/1120679840.db2.gz RNEHLIBMNOHKMD-VIFPVBQESA-N 0 1 269.751 3.569 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H](C)COCC2CC2)cs1 ZINC000652287509 1120809511 /nfs/dbraw/zinc/80/95/11/1120809511.db2.gz ZBVKWOMWQLBRLQ-NWDGAFQWSA-N 0 1 282.453 3.732 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CC1(CC(=O)[O-])CC1 ZINC001594270340 999044502 /nfs/dbraw/zinc/04/45/02/999044502.db2.gz STCVRGQZBCLQSA-IIAWOOMASA-N 0 1 287.403 3.508 20 0 CHADMN Cc1cc(CN2CCC[C@H](CCF)C2)cc(Cl)n1 ZINC000701862310 1121172927 /nfs/dbraw/zinc/17/29/27/1121172927.db2.gz MKCPDDLZTXLFOW-GFCCVEGCSA-N 0 1 270.779 3.615 20 0 CHADMN C[C@H]1CCC[C@@H](CC[N@@H+](CCC(F)(F)F)CC(=O)[O-])C1 ZINC001594345324 999306437 /nfs/dbraw/zinc/30/64/37/999306437.db2.gz SBQVYVZJIOAVLW-RYUDHWBXSA-N 0 1 295.345 3.542 20 0 CHADMN CCC(CC)(CC)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000675445853 1121299549 /nfs/dbraw/zinc/29/95/49/1121299549.db2.gz KPVZIZHONNWVNS-UHFFFAOYSA-N 0 1 259.353 3.718 20 0 CHADMN CCCN(Cc1ocnc1C)Cc1ccc(F)cc1 ZINC000893949861 1121446971 /nfs/dbraw/zinc/44/69/71/1121446971.db2.gz RTWSMXVTDUEQSJ-UHFFFAOYSA-N 0 1 262.328 3.534 20 0 CHADMN CC(=O)c1sc(C(C)(C)C)cc1Nc1ncc[nH]1 ZINC001176080661 1121532804 /nfs/dbraw/zinc/53/28/04/1121532804.db2.gz ZMGYTWVGDLFNCW-UHFFFAOYSA-N 0 1 263.366 3.715 20 0 CHADMN FCCCCN1CCc2c(cccc2C(F)(F)F)C1 ZINC000625948464 1121557685 /nfs/dbraw/zinc/55/76/85/1121557685.db2.gz LQNSDSYLDZONRV-UHFFFAOYSA-N 0 1 275.289 3.813 20 0 CHADMN CCCCCCN1CCO[C@H](Cc2ccccc2)C1 ZINC001168764570 1121660203 /nfs/dbraw/zinc/66/02/03/1121660203.db2.gz ACHBEAFRQYSYKN-QGZVFWFLSA-N 0 1 261.409 3.510 20 0 CHADMN CCOc1ccccc1[C@@H](CC)NC/C=C\Cl ZINC000255909975 1121715935 /nfs/dbraw/zinc/71/59/35/1121715935.db2.gz YJZMBAWJOITULI-PGJNLMOESA-N 0 1 253.773 3.879 20 0 CHADMN CCOc1c(Cl)cccc1CNC/C=C/Cl ZINC001179747561 1121908659 /nfs/dbraw/zinc/90/86/59/1121908659.db2.gz LPBWDNNOJFPCEV-QPJJXVBHSA-N 0 1 260.164 3.581 20 0 CHADMN Cc1ccnc(CN2CCC[C@@H](C)[C@@H]2C)c1Br ZINC001179858975 1121919839 /nfs/dbraw/zinc/91/98/39/1121919839.db2.gz JLJBXMIXSSBQPO-PWSUYJOCSA-N 0 1 297.240 3.773 20 0 CHADMN CC(C)[C@@H]1CCN(Cc2ccc(F)c(F)c2F)C1 ZINC001179974188 1121932896 /nfs/dbraw/zinc/93/28/96/1121932896.db2.gz LXLUCZNJCVGERB-SNVBAGLBSA-N 0 1 257.299 3.582 20 0 CHADMN CN(Cc1ccsc1C(F)(F)F)CC1=CCSC1 ZINC000628352420 1122008959 /nfs/dbraw/zinc/00/89/59/1122008959.db2.gz HZPQOKGHXLDDAE-UHFFFAOYSA-N 0 1 293.379 3.872 20 0 CHADMN Cc1c(Cl)c(CNCC(C)(C)C2=CCCC2)nn1C ZINC000421377464 1122105558 /nfs/dbraw/zinc/10/55/58/1122105558.db2.gz GCWUQFJKJVWPCG-UHFFFAOYSA-N 0 1 281.831 3.608 20 0 CHADMN C[C@H](COCC(F)(F)F)N[C@@H](C)c1cccc(F)c1F ZINC000271968353 1122184399 /nfs/dbraw/zinc/18/43/99/1122184399.db2.gz MVIMJEWCJQQLAR-BDAKNGLRSA-N 0 1 297.267 3.583 20 0 CHADMN CSc1ccc(CN2CC[C@@H](OCCC(C)C)C2)o1 ZINC001183095857 1122206398 /nfs/dbraw/zinc/20/63/98/1122206398.db2.gz WKIZOPBQJTXWPY-CYBMUJFWSA-N 0 1 283.437 3.639 20 0 CHADMN Cc1ccc([C@H](O)CNCc2ccsc2Cl)cc1 ZINC000775015851 1122391466 /nfs/dbraw/zinc/39/14/66/1122391466.db2.gz YXJUQMGDFNKFSE-CYBMUJFWSA-N 0 1 281.808 3.533 20 0 CHADMN COc1c(F)cc(F)cc1CN1CC[C@@H](C)C[C@H]1C ZINC001143561193 1122541605 /nfs/dbraw/zinc/54/16/05/1122541605.db2.gz MSVNBAXJGBTRQO-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN CC[C@@H]1C[C@H]1CN(CC)Cc1c(F)cccc1F ZINC001190731080 1122553031 /nfs/dbraw/zinc/55/30/31/1122553031.db2.gz LKOXSVDZXCZJSU-NEPJUHHUSA-N 0 1 253.336 3.833 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(Cl)c2F)C[C@H]1C ZINC001192261834 1122637342 /nfs/dbraw/zinc/63/73/42/1122637342.db2.gz JRYIGJZEYBGSJH-GHMZBOCLSA-N 0 1 255.764 3.957 20 0 CHADMN CCN(Cc1c(F)cncc1F)[C@H]1CCCC[C@@H]1C ZINC001193412602 1122690003 /nfs/dbraw/zinc/69/00/03/1122690003.db2.gz FTEKBHIGTBANHS-NHYWBVRUSA-N 0 1 268.351 3.760 20 0 CHADMN CCC[C@H](C)CCCN1CCC(=O)CC12CCC2 ZINC001195394061 1122868004 /nfs/dbraw/zinc/86/80/04/1122868004.db2.gz UQXAKANPJDHPDQ-AWEZNQCLSA-N 0 1 251.414 3.790 20 0 CHADMN Cc1n[nH]c(C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c1C ZINC000894815235 1122908077 /nfs/dbraw/zinc/90/80/77/1122908077.db2.gz ORBHQDJOQWJIOS-YPMHNXCESA-N 0 1 289.345 3.579 20 0 CHADMN Cc1n[nH]c(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)c1C ZINC000894815235 1122908080 /nfs/dbraw/zinc/90/80/80/1122908080.db2.gz ORBHQDJOQWJIOS-YPMHNXCESA-N 0 1 289.345 3.579 20 0 CHADMN CCCC(CCC)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000506916033 1122911922 /nfs/dbraw/zinc/91/19/22/1122911922.db2.gz IFEANTWCMKUAKE-UHFFFAOYSA-N 0 1 277.290 3.583 20 0 CHADMN COc1ccc(Cl)cc1CN(C)CCOC(C)(C)C ZINC000519907872 1123036278 /nfs/dbraw/zinc/03/62/78/1123036278.db2.gz MHUYGFRMKIAHEW-UHFFFAOYSA-N 0 1 285.815 3.596 20 0 CHADMN CCN(c1ccc(NCc2cnsc2)cc1)C(C)C ZINC001201337998 1123088623 /nfs/dbraw/zinc/08/86/23/1123088623.db2.gz IHLXUZFQQMHEBX-UHFFFAOYSA-N 0 1 275.421 3.990 20 0 CHADMN CCCCN1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000441448210 1123128651 /nfs/dbraw/zinc/12/86/51/1123128651.db2.gz ORFXTJMVYDYTLU-NVXWUHKLSA-N 0 1 261.409 3.865 20 0 CHADMN COc1cc(CN2CCS[C@@H](C)[C@H]2C)ccc1SC ZINC000118415943 1123183300 /nfs/dbraw/zinc/18/33/00/1123183300.db2.gz SCAGMBIOADZPRW-NEPJUHHUSA-N 0 1 297.489 3.743 20 0 CHADMN CCN(Cc1cc(C)no1)[C@@H](C)c1ccc(F)cc1 ZINC000053088435 1123199250 /nfs/dbraw/zinc/19/92/50/1123199250.db2.gz IBUVYFNHVFODKE-LBPRGKRZSA-N 0 1 262.328 3.705 20 0 CHADMN Cc1ccc([C@H](C)NCc2cc(C3CC3)no2)s1 ZINC000851928582 1123389949 /nfs/dbraw/zinc/38/99/49/1123389949.db2.gz NTIKWUPNHHJPSF-JTQLQIEISA-N 0 1 262.378 3.773 20 0 CHADMN CC[C@@H](C)C(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000111988948 1123472513 /nfs/dbraw/zinc/47/25/13/1123472513.db2.gz METGLFZIXQYMQD-RKDXNWHRSA-N 0 1 280.755 3.867 20 0 CHADMN CC(C)Cc1noc(CN(CC(C)C)CC(C)(C)C)n1 ZINC000474211379 1123487458 /nfs/dbraw/zinc/48/74/58/1123487458.db2.gz LVRJFXHNCYWGTM-UHFFFAOYSA-N 0 1 281.444 3.772 20 0 CHADMN CC[C@@](C)(NCc1cc(C)no1)c1ccc(F)cc1 ZINC000631193419 1123520618 /nfs/dbraw/zinc/52/06/18/1123520618.db2.gz DJLVGNYWWULYEQ-OAHLLOKOSA-N 0 1 262.328 3.537 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccsc2)cc1 ZINC000102675701 1123589681 /nfs/dbraw/zinc/58/96/81/1123589681.db2.gz CXSNLTFJCCOTLH-UHFFFAOYSA-N 0 1 261.390 3.779 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2ccc(F)cn2)C1 ZINC000346268076 1123676978 /nfs/dbraw/zinc/67/69/78/1123676978.db2.gz CPCDIISOSSXSBX-OAHLLOKOSA-N 0 1 250.361 3.623 20 0 CHADMN Cc1cc(C)cc([C@H](C)NCc2ccc(F)cn2)c1 ZINC000346521308 1123691229 /nfs/dbraw/zinc/69/12/29/1123691229.db2.gz CIKYYUGNGCCPDD-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN CC(C)c1ncc(CN2CCCC(F)(F)CC2)s1 ZINC000862467492 1123812544 /nfs/dbraw/zinc/81/25/44/1123812544.db2.gz XCTCNOUWZRZKCG-UHFFFAOYSA-N 0 1 274.380 3.888 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2sccc2Br)C1 ZINC000043501833 1123818378 /nfs/dbraw/zinc/81/83/78/1123818378.db2.gz SJVVASRSJOMSJI-VIFPVBQESA-N 0 1 274.227 3.743 20 0 CHADMN C[C@H]1CCCN(Cc2sccc2Br)C1 ZINC000043501833 1123818387 /nfs/dbraw/zinc/81/83/87/1123818387.db2.gz SJVVASRSJOMSJI-VIFPVBQESA-N 0 1 274.227 3.743 20 0 CHADMN COc1ccc(-c2n[nH]c(SCSC(C)C)n2)cc1 ZINC000863260126 1123856830 /nfs/dbraw/zinc/85/68/30/1123856830.db2.gz XZIYRIYJIJJHKL-UHFFFAOYSA-N 0 1 295.433 3.672 20 0 CHADMN CC(C)[C@H](NC/C(Cl)=C\Cl)[C@H](O)c1ccccc1 ZINC000794601765 1123921729 /nfs/dbraw/zinc/92/17/29/1123921729.db2.gz FEJLIIUQRFPPML-AMNUONFKSA-N 0 1 288.218 3.653 20 0 CHADMN CC(C)(C)c1csc(CNCC(C)(C)OCC2CC2)n1 ZINC000865603023 1123998062 /nfs/dbraw/zinc/99/80/62/1123998062.db2.gz YEDDBQORZQLTDE-UHFFFAOYSA-N 0 1 296.480 3.735 20 0 CHADMN Cc1cn[nH]c1CNc1cccc(F)c1C(C)(F)F ZINC000865828478 1124018445 /nfs/dbraw/zinc/01/84/45/1124018445.db2.gz ULWZRBRZYRCQQZ-UHFFFAOYSA-N 0 1 269.270 3.581 20 0 CHADMN CO[C@H](C)c1nc(CN(CC2CCC2)C(C)C)cs1 ZINC000193216219 1124123860 /nfs/dbraw/zinc/12/38/60/1124123860.db2.gz GBWYITDAMAYLMY-GFCCVEGCSA-N 0 1 282.453 3.861 20 0 CHADMN CCC[C@H](C)N(C)Cc1cnc(C(F)(F)F)s1 ZINC000447740483 1124518928 /nfs/dbraw/zinc/51/89/28/1124518928.db2.gz ZZVFGUJSIGTOJE-QMMMGPOBSA-N 0 1 266.332 3.782 20 0 CHADMN COC[C@@H](NCc1csc(C)c1)c1ccc(F)cc1 ZINC000449176642 1124662006 /nfs/dbraw/zinc/66/20/06/1124662006.db2.gz QUQJEPUTEFHKQV-OAHLLOKOSA-N 0 1 279.380 3.673 20 0 CHADMN CC(C)c1cccc(CNCc2ccc(Cl)nn2)c1 ZINC000877411870 1125027189 /nfs/dbraw/zinc/02/71/89/1125027189.db2.gz SHHVHSQEBDSEGL-UHFFFAOYSA-N 0 1 275.783 3.543 20 0 CHADMN CCCCCN(Cc1nccn1CC(F)F)C(C)C ZINC000877956526 1125105938 /nfs/dbraw/zinc/10/59/38/1125105938.db2.gz RJZQDUHNGZAYGW-UHFFFAOYSA-N 0 1 273.371 3.549 20 0 CHADMN CC[C@@](C)(NC[C@@H]1CCCC(C)(C)O1)c1nccs1 ZINC000878254417 1125135332 /nfs/dbraw/zinc/13/53/32/1125135332.db2.gz VNDPBBMJJMNQFO-SWLSCSKDSA-N 0 1 282.453 3.706 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCCCC12COC2 ZINC001168181370 1125348893 /nfs/dbraw/zinc/34/88/93/1125348893.db2.gz YNJSPJOGGJMGAN-CYBMUJFWSA-N 0 1 279.811 3.526 20 0 CHADMN C[C@@H](c1ccccc1Br)N1CCCO[C@H](C)C1 ZINC000532517887 1125409338 /nfs/dbraw/zinc/40/93/38/1125409338.db2.gz LKTXEZMIRJDIOW-NEPJUHHUSA-N 0 1 298.224 3.621 20 0 CHADMN CC[C@H]1CCCCN1Cc1ccc(OC)c(F)c1F ZINC001143915088 1131554352 /nfs/dbraw/zinc/55/43/52/1131554352.db2.gz UHGBEGAYZQRFRF-LBPRGKRZSA-N 0 1 269.335 3.738 20 0 CHADMN Brc1ccc(CN2CC[C@H]3CCC[C@@H]3C2)o1 ZINC001138904761 1131558623 /nfs/dbraw/zinc/55/86/23/1131558623.db2.gz OZPFYRUNWNPCGN-GHMZBOCLSA-N 0 1 284.197 3.664 20 0 CHADMN FC(F)Sc1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844453683 1131562501 /nfs/dbraw/zinc/56/25/01/1131562501.db2.gz QIGMRVKDFSFRPM-PHIMTYICSA-N 0 1 291.313 3.698 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2cscc2Br)C1 ZINC001139349822 1131604018 /nfs/dbraw/zinc/60/40/18/1131604018.db2.gz ISSHYUVQFHEBGI-NXEZZACHSA-N 0 1 288.254 3.989 20 0 CHADMN CCOc1ccc(C)cc1CN1CC[C@@H](C(F)(F)F)C1 ZINC001139604902 1131620442 /nfs/dbraw/zinc/62/04/42/1131620442.db2.gz PULROGAACBYMDD-CYBMUJFWSA-N 0 1 287.325 3.778 20 0 CHADMN FC1(F)C[C@]12CCN(Cc1cc(Cl)cs1)C2 ZINC000846117130 1131688518 /nfs/dbraw/zinc/68/85/18/1131688518.db2.gz NEOQZNTYLQRENJ-JTQLQIEISA-N 0 1 263.740 3.633 20 0 CHADMN Cc1cc(Br)ccc1CN1CC2CC(C2)C1 ZINC001140817839 1131934353 /nfs/dbraw/zinc/93/43/53/1131934353.db2.gz DVWKYSTZZWMHQX-UHFFFAOYSA-N 0 1 280.209 3.599 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCC[C@@H]1C(C)C ZINC001231414128 1132291770 /nfs/dbraw/zinc/29/17/70/1132291770.db2.gz GMCCICMDYZIZHI-CQSZACIVSA-N 0 1 269.335 3.594 20 0 CHADMN Cc1cc(C)c(CN2CC[C@](C)(F)[C@H](F)C2)cc1C ZINC001231482367 1132299100 /nfs/dbraw/zinc/29/91/00/1132299100.db2.gz KGRMHHDJEMMCSK-CVEARBPZSA-N 0 1 267.363 3.884 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cnsc1 ZINC001232229133 1132438569 /nfs/dbraw/zinc/43/85/69/1132438569.db2.gz FCYRCBPQRJBDAS-OAHLLOKOSA-N 0 1 258.390 3.653 20 0 CHADMN CCCCC[C@@H](CC)c1nc([C@H]2CCCN2)no1 ZINC000842638405 1132448123 /nfs/dbraw/zinc/44/81/23/1132448123.db2.gz KWBSHAHPTPPZPY-VXGBXAGGSA-N 0 1 251.374 3.568 20 0 CHADMN FC(F)(F)c1ccc(CN2CCC3(CCC3)C2)o1 ZINC001232445091 1132472450 /nfs/dbraw/zinc/47/24/50/1132472450.db2.gz LYPLKRPEXNTZGL-UHFFFAOYSA-N 0 1 259.271 3.674 20 0 CHADMN C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232624763 1132495921 /nfs/dbraw/zinc/49/59/21/1132495921.db2.gz WIECEFZUBUZDKK-SECBINFHSA-N 0 1 274.191 3.931 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232624763 1132495929 /nfs/dbraw/zinc/49/59/29/1132495929.db2.gz WIECEFZUBUZDKK-SECBINFHSA-N 0 1 274.191 3.931 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(O)cc(Br)c2)[C@H]1C ZINC001232998101 1132559736 /nfs/dbraw/zinc/55/97/36/1132559736.db2.gz HFGBFRKGIQMDLB-MNOVXSKESA-N 0 1 298.224 3.775 20 0 CHADMN Cc1ccc(Cl)cc1CN(C)Cc1ccccn1 ZINC001233247626 1132586441 /nfs/dbraw/zinc/58/64/41/1132586441.db2.gz DLOXWMJAFJTBMA-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1cc(CN2CCc3ccccc3[C@H]2C)sn1 ZINC001233310082 1132597658 /nfs/dbraw/zinc/59/76/58/1132597658.db2.gz PXHBCERCDBTPGH-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN CSc1cccc(Cl)c1CN1CCOC[C@H](C)C1 ZINC001233350872 1132608791 /nfs/dbraw/zinc/60/87/91/1132608791.db2.gz XLMZRNHMOSUILO-LLVKDONJSA-N 0 1 285.840 3.530 20 0 CHADMN Cn1ccc(CNCc2cc(Cl)cc(Cl)c2F)c1 ZINC001203390123 1133321133 /nfs/dbraw/zinc/32/11/33/1133321133.db2.gz SSINEUZKCHTRKX-UHFFFAOYSA-N 0 1 287.165 3.761 20 0 CHADMN CC(C)c1ccc(CN2CCCC(=O)[C@@H](C)C2)cc1 ZINC001204165178 1133413740 /nfs/dbraw/zinc/41/37/40/1133413740.db2.gz RYJHIQKTVZYMKP-AWEZNQCLSA-N 0 1 259.393 3.611 20 0 CHADMN FC(F)(F)Oc1cccc(CN2CC3(CCC3)C2)c1 ZINC001204429734 1133446472 /nfs/dbraw/zinc/44/64/72/1133446472.db2.gz YRIXHVGJYQYYSH-UHFFFAOYSA-N 0 1 271.282 3.571 20 0 CHADMN Cc1cc(CN2CCCC[C@@](C)(F)C2)ccc1F ZINC001205162863 1133539472 /nfs/dbraw/zinc/53/94/72/1133539472.db2.gz XJTAHWDNQDOIJD-OAHLLOKOSA-N 0 1 253.336 3.848 20 0 CHADMN C[C@@H](CCCC(C)(C)O)CCN1CCC(F)(F)[C@H](F)C1 ZINC001207637054 1133834922 /nfs/dbraw/zinc/83/49/22/1133834922.db2.gz NVLOGPHNURBQOU-QWHCGFSZSA-N 0 1 295.389 3.633 20 0 CHADMN C[C@@H]1C[C@H](F)CN1CCCc1ccccc1Cl ZINC001208871515 1133954646 /nfs/dbraw/zinc/95/46/46/1133954646.db2.gz LHOWLHXWEXKMSJ-YPMHNXCESA-N 0 1 255.764 3.705 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1cccc2[nH]cc(Cl)c21 ZINC001209658741 1134049862 /nfs/dbraw/zinc/04/98/62/1134049862.db2.gz TUVQJEJBCFAMPR-MWLCHTKSSA-N 0 1 266.747 3.754 20 0 CHADMN Oc1c(Cl)ccc(Nc2cc(F)nc(F)c2F)c1F ZINC001214796340 1134574155 /nfs/dbraw/zinc/57/41/55/1134574155.db2.gz PFSDWUOPGFPQFE-UHFFFAOYSA-N 0 1 292.619 3.741 20 0 CHADMN CCO[C@H](CCN[C@H](C)c1cscn1)C1CCCC1 ZINC000536625701 1125509713 /nfs/dbraw/zinc/50/97/13/1125509713.db2.gz MONFGOOEWXMWFY-IUODEOHRSA-N 0 1 282.453 3.779 20 0 CHADMN c1coc(CCNCc2ncc(-c3ccccc3)s2)c1 ZINC000133166944 1125509898 /nfs/dbraw/zinc/50/98/98/1125509898.db2.gz BLBDIMCFIMAJHJ-UHFFFAOYSA-N 0 1 284.384 3.735 20 0 CHADMN CN(Cc1ncc(-c2ccc(Cl)cc2)o1)CC1CC1 ZINC000052127954 1125513768 /nfs/dbraw/zinc/51/37/68/1125513768.db2.gz CDCLTEVPSGNGTI-UHFFFAOYSA-N 0 1 276.767 3.837 20 0 CHADMN CCCOc1ccc2c(c1)CCN([C@@H](C)c1ccccn1)C2 ZINC000134523398 1125518495 /nfs/dbraw/zinc/51/84/95/1125518495.db2.gz YKSXJKGUUCULKZ-HNNXBMFYSA-N 0 1 296.414 3.990 20 0 CHADMN CC(=O)Nc1nc(CN(CC(C)C)CC(C)(C)C)cs1 ZINC000134448168 1125519149 /nfs/dbraw/zinc/51/91/49/1125519149.db2.gz BORUGGPOWJAJDG-UHFFFAOYSA-N 0 1 297.468 3.606 20 0 CHADMN C[C@@H](NCc1ccc(F)c(Cl)c1)c1cccnc1 ZINC000053150153 1125519824 /nfs/dbraw/zinc/51/98/24/1125519824.db2.gz MFFDPRLOURYKOQ-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN CCc1noc(C)c1CNC(C)(C)c1cccs1 ZINC000348311397 1125523162 /nfs/dbraw/zinc/52/31/62/1125523162.db2.gz BWQGBGSIJPDYIY-UHFFFAOYSA-N 0 1 264.394 3.632 20 0 CHADMN CSC[C@H]1CCCN1Cc1ncc(-c2ccccc2)o1 ZINC000135484564 1125526596 /nfs/dbraw/zinc/52/65/96/1125526596.db2.gz VWQVSSPMCJQUQP-CQSZACIVSA-N 0 1 288.416 3.669 20 0 CHADMN CC(C)Sc1ccc(CN[C@@H](C)c2cnn(C)c2)cc1 ZINC000348312825 1125528240 /nfs/dbraw/zinc/52/82/40/1125528240.db2.gz WGLMGIHLTINCCB-ZDUSSCGKSA-N 0 1 289.448 3.771 20 0 CHADMN COc1cccc2c1CC[C@H]2NCc1cccc(F)c1F ZINC000151896088 1125532208 /nfs/dbraw/zinc/53/22/08/1125532208.db2.gz JHJJWWKMHMGHCN-OAHLLOKOSA-N 0 1 289.325 3.751 20 0 CHADMN COc1cccc([C@@H](C)NCc2ccc(C)cc2OC)c1 ZINC000119828338 1125537728 /nfs/dbraw/zinc/53/77/28/1125537728.db2.gz GHUDYJPWUUUHTJ-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN C[C@H]1CCCN(Cc2csc(-c3ccccn3)n2)CC1 ZINC000119690713 1125538111 /nfs/dbraw/zinc/53/81/11/1125538111.db2.gz XCUUGZITAXSTMA-ZDUSSCGKSA-N 0 1 287.432 3.827 20 0 CHADMN CCN(C)[C@@H](C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000057823327 1125540863 /nfs/dbraw/zinc/54/08/63/1125540863.db2.gz MYKLMGQJDKGEDD-MAUKXSAKSA-N 0 1 296.414 3.557 20 0 CHADMN CCN(Cc1cncs1)[C@H](C)c1cccc(OC)c1 ZINC000120153704 1125542655 /nfs/dbraw/zinc/54/26/55/1125542655.db2.gz IBNKXHCOCHQHBD-GFCCVEGCSA-N 0 1 276.405 3.735 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1cn2ccccc2n1 ZINC000061801542 1125546100 /nfs/dbraw/zinc/54/61/00/1125546100.db2.gz KGSRWKKZULFVQX-AWEZNQCLSA-N 0 1 265.360 3.527 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000194327360 1125552633 /nfs/dbraw/zinc/55/26/33/1125552633.db2.gz CNKDQNLUZMSBJH-QGZVFWFLSA-N 0 1 295.386 3.573 20 0 CHADMN Cc1ncsc1CNCc1ccc(C)c(Cl)c1 ZINC000235897221 1125548981 /nfs/dbraw/zinc/54/89/81/1125548981.db2.gz KDYNUJRLQJBZBQ-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN COc1cc([C@@H](C)NCc2ccco2)ccc1OC(F)F ZINC000120604602 1125549042 /nfs/dbraw/zinc/54/90/42/1125549042.db2.gz MJFBPZXQEXFIES-SNVBAGLBSA-N 0 1 297.301 3.740 20 0 CHADMN Cc1cccnc1[C@@H](N[C@@H](C)c1cncc(F)c1)C(C)C ZINC000120611089 1125549587 /nfs/dbraw/zinc/54/95/87/1125549587.db2.gz AQNVDOZLLKRMSF-BBRMVZONSA-N 0 1 287.382 3.972 20 0 CHADMN C[C@@H](NC[C@@H](c1c(F)cccc1F)N(C)C)c1ccco1 ZINC000120750791 1125550740 /nfs/dbraw/zinc/55/07/40/1125550740.db2.gz KEVHUEWLKKMVLJ-RISCZKNCSA-N 0 1 294.345 3.511 20 0 CHADMN COC(=O)c1sccc1CN1CCC[C@@H]2CCCC[C@H]21 ZINC000393221202 1125553110 /nfs/dbraw/zinc/55/31/10/1125553110.db2.gz URISATJZPYNNSE-GXTWGEPZSA-N 0 1 293.432 3.689 20 0 CHADMN Cc1cc(OC(C)C)cc(C)c1CN1CCCC(=O)CC1 ZINC001238675979 1131230775 /nfs/dbraw/zinc/23/07/75/1131230775.db2.gz GSKAFUIQFILEST-UHFFFAOYSA-N 0 1 289.419 3.646 20 0 CHADMN C[C@H](N[C@H]1CCCOc2ccccc21)c1cccc(O)c1 ZINC000194876158 1125558231 /nfs/dbraw/zinc/55/82/31/1125558231.db2.gz KDTUBMGXZITSLX-GUYCJALGSA-N 0 1 283.371 3.957 20 0 CHADMN COc1ccc2nc(SCCC(C)C)[nH]c2c1 ZINC000031606488 1125568698 /nfs/dbraw/zinc/56/86/98/1125568698.db2.gz ZMOYRKJALCYVRT-UHFFFAOYSA-N 0 1 250.367 3.710 20 0 CHADMN Cc1cc(N[C@@H](C)c2ccc[nH]2)c2cc(F)ccc2n1 ZINC000760275452 1125563358 /nfs/dbraw/zinc/56/33/58/1125563358.db2.gz YXIJWSGRQDTPJI-NSHDSACASA-N 0 1 269.323 3.605 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2nnc(C)o2)CC[C@H]1c1ccccc1 ZINC000245407592 1125571522 /nfs/dbraw/zinc/57/15/22/1125571522.db2.gz BVLYNHCRDRZXKB-FRFSOERESA-N 0 1 299.418 3.955 20 0 CHADMN Fc1cccc(Cl)c1CN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000532747793 1125577898 /nfs/dbraw/zinc/57/78/98/1125577898.db2.gz ITMQOHZWOWIJRN-CHWSQXEVSA-N 0 1 297.801 3.728 20 0 CHADMN Cc1nc(C2CCN(c3nc(Cl)cs3)CC2)[nH]c1C ZINC000884705645 1125590558 /nfs/dbraw/zinc/59/05/58/1125590558.db2.gz CCZUJAYBWCESGK-UHFFFAOYSA-N 0 1 296.827 3.520 20 0 CHADMN C[C@H]1CCN(Cc2cccc(O)c2)[C@@H](c2ccco2)C1 ZINC000245723934 1125592334 /nfs/dbraw/zinc/59/23/34/1125592334.db2.gz IKOSQCJWNWFHGU-XJKSGUPXSA-N 0 1 271.360 3.958 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)NOC1CCCC1)c1ccccc1 ZINC000135688636 1125595836 /nfs/dbraw/zinc/59/58/36/1125595836.db2.gz VNQDGCMHIKKTNS-CJNGLKHVSA-N 0 1 275.392 3.807 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H]1CCc2c1nccc2Cl ZINC000925291043 1125605763 /nfs/dbraw/zinc/60/57/63/1125605763.db2.gz ARTLLPVCTIJTOD-NHYWBVRUSA-N 0 1 287.794 3.777 20 0 CHADMN CCS[C@@H](C)c1noc(CN(CC2CC2)C(C)C)n1 ZINC000533495242 1125610678 /nfs/dbraw/zinc/61/06/78/1125610678.db2.gz GOMIAIGMOYXKDB-NSHDSACASA-N 0 1 283.441 3.504 20 0 CHADMN COc1ncc(CN(C)[C@H](C)c2cccs2)cc1Cl ZINC000533559129 1125615860 /nfs/dbraw/zinc/61/58/60/1125615860.db2.gz GIMMSKLSCSUFNU-SNVBAGLBSA-N 0 1 296.823 3.998 20 0 CHADMN Cc1cc(Nc2ccc(O)c(F)c2F)c2ccccc2n1 ZINC001211997797 1125619653 /nfs/dbraw/zinc/61/96/53/1125619653.db2.gz MCGJMVWKGPRTMA-UHFFFAOYSA-N 0 1 286.281 3.693 20 0 CHADMN CC(C)(C)C[C@@H](NCc1cc[nH]n1)c1ccc(F)cc1 ZINC000066973567 1125626115 /nfs/dbraw/zinc/62/61/15/1125626115.db2.gz WJPPUGPIXKSBIF-OAHLLOKOSA-N 0 1 275.371 3.816 20 0 CHADMN COc1ccc([C@@H](NCc2cc(C)co2)C2CC2)cc1 ZINC000885907687 1125626232 /nfs/dbraw/zinc/62/62/32/1125626232.db2.gz GIPRLUFQLVKNRG-KRWDZBQOSA-N 0 1 271.360 3.838 20 0 CHADMN Cc1[nH]nc(CNc2ccc(N3CCCCC3)cc2)c1C ZINC000885931375 1125626896 /nfs/dbraw/zinc/62/68/96/1125626896.db2.gz SRHIGUAMYNQUTQ-UHFFFAOYSA-N 0 1 284.407 3.629 20 0 CHADMN Cc1n[nH]c(CN[C@@H](C)c2oc3ccccc3c2C)c1C ZINC000885927318 1125627281 /nfs/dbraw/zinc/62/72/81/1125627281.db2.gz PQCCLQSNLHTSDS-ZDUSSCGKSA-N 0 1 283.375 3.932 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1[nH]nc(C)c1C ZINC000885929166 1125627816 /nfs/dbraw/zinc/62/78/16/1125627816.db2.gz LQFHAOWPPSVGHM-CQSZACIVSA-N 0 1 287.407 3.731 20 0 CHADMN CC[C@H](C)Oc1cccc(NCc2n[nH]c(C)c2C)c1 ZINC000885941723 1125628489 /nfs/dbraw/zinc/62/84/89/1125628489.db2.gz FEKQMXQKDLAKIL-NSHDSACASA-N 0 1 273.380 3.816 20 0 CHADMN COc1ccccc1[C@H]1CCCN1Cc1c(C)noc1C ZINC000069086463 1125628638 /nfs/dbraw/zinc/62/86/38/1125628638.db2.gz SBGLCFGXFKHCDP-MRXNPFEDSA-N 0 1 286.375 3.637 20 0 CHADMN Cc1[nH]nc(CNc2ccc3oc(C4CC4)nc3c2)c1C ZINC000885933388 1125628742 /nfs/dbraw/zinc/62/87/42/1125628742.db2.gz SEOSDMMKUYISBR-UHFFFAOYSA-N 0 1 282.347 3.657 20 0 CHADMN Cc1[nH]nc(CNc2cccc(N3CCCCC3)c2)c1C ZINC000885940088 1125628939 /nfs/dbraw/zinc/62/89/39/1125628939.db2.gz ALSNGEBYWAXIPT-UHFFFAOYSA-N 0 1 284.407 3.629 20 0 CHADMN CCN(Cc1ncc(-c2cccs2)o1)CC1CC1 ZINC000070012010 1125630571 /nfs/dbraw/zinc/63/05/71/1125630571.db2.gz OAHJTALTTMYYPX-UHFFFAOYSA-N 0 1 262.378 3.635 20 0 CHADMN CCN(Cc1nnc(-c2cccc(Cl)c2)o1)CC1CC1 ZINC000070015253 1125630708 /nfs/dbraw/zinc/63/07/08/1125630708.db2.gz UFLBZFRPKPVGTC-UHFFFAOYSA-N 0 1 291.782 3.622 20 0 CHADMN Clc1ccc(CNCCOC2CCCCCC2)nc1 ZINC000885992881 1125634330 /nfs/dbraw/zinc/63/43/30/1125634330.db2.gz SWWKSAIJXYCYFS-UHFFFAOYSA-N 0 1 282.815 3.564 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)N(C)CC2CCC2)n1 ZINC000072518039 1125635493 /nfs/dbraw/zinc/63/54/93/1125635493.db2.gz WQAIXLKKHPLZQQ-CYBMUJFWSA-N 0 1 285.391 3.838 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1Cc1nnc(C(C)C)o1 ZINC000072776031 1125636272 /nfs/dbraw/zinc/63/62/72/1125636272.db2.gz SDAHGVKMHKYQCC-OLZOCXBDSA-N 0 1 265.401 3.594 20 0 CHADMN Cc1[nH]nc(CNc2ccc(COC(C)(C)C)cc2)c1C ZINC000886012662 1125637020 /nfs/dbraw/zinc/63/70/20/1125637020.db2.gz MCGUFGBTFLVPDS-UHFFFAOYSA-N 0 1 287.407 3.954 20 0 CHADMN Fc1cccc(/C=C/CNCc2nc(C3CC3)cs2)c1 ZINC000886023125 1125638177 /nfs/dbraw/zinc/63/81/77/1125638177.db2.gz LYWQESNCUBGNAY-DUXPYHPUSA-N 0 1 288.391 3.963 20 0 CHADMN Clc1ccc2c(c1)CC[C@H]2NCc1cnc(C2CC2)nc1 ZINC000459389815 1125638345 /nfs/dbraw/zinc/63/83/45/1125638345.db2.gz HTAPDSZXQRWCCI-MRXNPFEDSA-N 0 1 299.805 3.785 20 0 CHADMN Cc1[nH]nc(CNc2cccc(N3CCC(C)CC3)c2)c1C ZINC000886037169 1125639193 /nfs/dbraw/zinc/63/91/93/1125639193.db2.gz GIYXXCOXQRPISE-UHFFFAOYSA-N 0 1 298.434 3.875 20 0 CHADMN Fc1cccc([C@@H]2CCN2C[C@H]2CC[C@@H](C3CC3)O2)c1 ZINC000886033384 1125639217 /nfs/dbraw/zinc/63/92/17/1125639217.db2.gz TYOFJXXPGSZJGV-IKGGRYGDSA-N 0 1 275.367 3.530 20 0 CHADMN CCN(Cc1ccc(CO)o1)Cc1ccc2ccccc2c1 ZINC000536642869 1125639472 /nfs/dbraw/zinc/63/94/72/1125639472.db2.gz UYJNCVHIYMLNMQ-UHFFFAOYSA-N 0 1 295.382 3.947 20 0 CHADMN CC(C)CC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000074016684 1125640290 /nfs/dbraw/zinc/64/02/90/1125640290.db2.gz PXWYISSFRPYPPY-UHFFFAOYSA-N 0 1 294.358 3.610 20 0 CHADMN CC[C@@](C)(NC[C@@H]1CCC2(CCC2)CO1)c1nccs1 ZINC000886070947 1125644397 /nfs/dbraw/zinc/64/43/97/1125644397.db2.gz YEQSIJWNIRBQPQ-DZGCQCFKSA-N 0 1 294.464 3.707 20 0 CHADMN Cc1[nH]nc(CNc2cccc(C(C)(F)F)c2)c1C ZINC000886081665 1125645113 /nfs/dbraw/zinc/64/51/13/1125645113.db2.gz VGCWOOJXJVFHRH-UHFFFAOYSA-N 0 1 265.307 3.750 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000246536716 1125645455 /nfs/dbraw/zinc/64/54/55/1125645455.db2.gz SINPKHQUOVSFFG-IOASZLSFSA-N 0 1 297.402 3.886 20 0 CHADMN Cc1ccncc1CN(C)C/C=C\c1ccc(F)c(F)c1 ZINC000348364446 1125650552 /nfs/dbraw/zinc/65/05/52/1125650552.db2.gz YAMCFLAKXOCUJS-ARJAWSKDSA-N 0 1 288.341 3.813 20 0 CHADMN Cc1coc(CNCc2ccc3[nH]c(C)cc3c2)c1 ZINC000886116629 1125652884 /nfs/dbraw/zinc/65/28/84/1125652884.db2.gz MJWOLZDPDNAJKX-UHFFFAOYSA-N 0 1 254.333 3.668 20 0 CHADMN Cc1cnc(CN2CCC[C@@H]2c2cccc(C)c2)o1 ZINC000075644222 1125653318 /nfs/dbraw/zinc/65/33/18/1125653318.db2.gz LGSJPIWBQVQCPR-OAHLLOKOSA-N 0 1 256.349 3.629 20 0 CHADMN C[C@H](C1CC1)N(Cc1nccn1Cc1ccccc1)C1CC1 ZINC000075683946 1125653754 /nfs/dbraw/zinc/65/37/54/1125653754.db2.gz JSEJVCPCXMFQJP-OAHLLOKOSA-N 0 1 295.430 3.694 20 0 CHADMN COc1ccc(CNCc2cc(C)cs2)c(F)c1OC ZINC000886132206 1125653845 /nfs/dbraw/zinc/65/38/45/1125653845.db2.gz RSSMLTBLHMJIGR-UHFFFAOYSA-N 0 1 295.379 3.503 20 0 CHADMN Cc1cnc(C(C)(C)NC[C@H]2CCC3(CCC3)CO2)s1 ZINC000886129765 1125653900 /nfs/dbraw/zinc/65/39/00/1125653900.db2.gz NKPLICVEWJQKDG-CYBMUJFWSA-N 0 1 294.464 3.626 20 0 CHADMN Cc1cnc(CN2C[C@H](c3ccc(F)cc3)C[C@H]2C)o1 ZINC000247254976 1125655265 /nfs/dbraw/zinc/65/52/65/1125655265.db2.gz FBGQTCYJZMJIOD-BXUZGUMPSA-N 0 1 274.339 3.500 20 0 CHADMN C[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2cccnc2)C1 ZINC000075842792 1125657282 /nfs/dbraw/zinc/65/72/82/1125657282.db2.gz YAFCWBPOVGRJOB-DYVFJYSZSA-N 0 1 270.351 3.804 20 0 CHADMN CCS[C@@H]1CC[C@@H](N(C)Cc2csc(CC)n2)C1 ZINC000247699256 1125659006 /nfs/dbraw/zinc/65/90/06/1125659006.db2.gz XIDZUMYEHMGIDH-CHWSQXEVSA-N 0 1 284.494 3.812 20 0 CHADMN Cc1ccccc1[C@H](C)N1CCO[C@@H](c2ccco2)C1 ZINC000248147810 1125663280 /nfs/dbraw/zinc/66/32/80/1125663280.db2.gz QKIRWZKOZYBQMN-WMLDXEAASA-N 0 1 271.360 3.723 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1CC[C@@H](C)[C@H]1C ZINC000248370000 1125664087 /nfs/dbraw/zinc/66/40/87/1125664087.db2.gz WXSBYSBHWJESHR-GHMZBOCLSA-N 0 1 276.405 3.942 20 0 CHADMN Fc1ccc([C@@H]2CCN2C[C@@H]2CC[C@@H](C3CC3)O2)cc1 ZINC000886278880 1125665547 /nfs/dbraw/zinc/66/55/47/1125665547.db2.gz KZEADSNQSPPJRX-ULQDDVLXSA-N 0 1 275.367 3.530 20 0 CHADMN CC(C)[C@H](CN[C@H](C)c1ncco1)c1ccccc1 ZINC000886272610 1125665663 /nfs/dbraw/zinc/66/56/63/1125665663.db2.gz VZAYOBFXDCKTFJ-HIFRSBDPSA-N 0 1 258.365 3.765 20 0 CHADMN CC(C)[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)c1cnn(C)c1 ZINC000886507743 1125681245 /nfs/dbraw/zinc/68/12/45/1125681245.db2.gz XDXDVIIUQQBCJR-PVUWLOKVSA-N 0 1 287.407 3.623 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)C[C@H]1CCCO1 ZINC000249715876 1125681480 /nfs/dbraw/zinc/68/14/80/1125681480.db2.gz IJIFGKBLXQYDJP-VXGBXAGGSA-N 0 1 253.773 3.512 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3c4cc(F)ccc4[nH]c32)on1 ZINC000886522916 1125683811 /nfs/dbraw/zinc/68/38/11/1125683811.db2.gz SYPCGTQYIDFPLO-INIZCTEOSA-N 0 1 299.349 3.771 20 0 CHADMN FC(F)n1ccnc1CN1CCC[C@H]1C1CCCCC1 ZINC000076749313 1125684008 /nfs/dbraw/zinc/68/40/08/1125684008.db2.gz PCMGPRAHHDCXQZ-ZDUSSCGKSA-N 0 1 283.366 3.823 20 0 CHADMN C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1ncco1 ZINC000886539010 1125685456 /nfs/dbraw/zinc/68/54/56/1125685456.db2.gz RJUORYOBRJJFJN-LLVKDONJSA-N 0 1 298.308 3.977 20 0 CHADMN C[C@@H](NCCc1cc(Cl)cc(Cl)c1)c1ncco1 ZINC000886539268 1125685819 /nfs/dbraw/zinc/68/58/19/1125685819.db2.gz XFELYVLHRDNYJK-SECBINFHSA-N 0 1 285.174 3.875 20 0 CHADMN CC[C@H]1CCC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000393311559 1125686122 /nfs/dbraw/zinc/68/61/22/1125686122.db2.gz JVGHCHVHCXFYAW-NSHDSACASA-N 0 1 253.773 3.668 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000393311559 1125686124 /nfs/dbraw/zinc/68/61/24/1125686124.db2.gz JVGHCHVHCXFYAW-NSHDSACASA-N 0 1 253.773 3.668 20 0 CHADMN C[C@H]1CCN(Cc2nccs2)[C@@H]1c1ccccc1 ZINC000886542688 1125687508 /nfs/dbraw/zinc/68/75/08/1125687508.db2.gz DOLQQDWECGEKRA-WFASDCNBSA-N 0 1 258.390 3.726 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000629376859 1125689054 /nfs/dbraw/zinc/68/90/54/1125689054.db2.gz JYZSAAKASFKWAX-VGWMRTNUSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)N(Cc1ccn(-c2ccccc2)n1)C1CCC1 ZINC000077357853 1125692609 /nfs/dbraw/zinc/69/26/09/1125692609.db2.gz CDQLWYYQCBDDDI-UHFFFAOYSA-N 0 1 269.392 3.635 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CCCCCC2)[C@@H]2CCC[C@@H]21 ZINC000629378642 1125692812 /nfs/dbraw/zinc/69/28/12/1125692812.db2.gz SPABVNVJNJZGBR-BRWVUGGUSA-N 0 1 293.451 3.922 20 0 CHADMN C[C@@H]1C[C@@H](N[C@@H]2CCc3cccnc32)c2ccccc2O1 ZINC000886617690 1125697806 /nfs/dbraw/zinc/69/78/06/1125697806.db2.gz VYUOOGHDRWDRSU-DAXOMENPSA-N 0 1 280.371 3.571 20 0 CHADMN CC[C@H](N[C@H]1CCc2cccnc21)c1ccccc1F ZINC000886631713 1125700212 /nfs/dbraw/zinc/70/02/12/1125700212.db2.gz UXDNZUAOEYJAOX-HOTGVXAUSA-N 0 1 270.351 3.949 20 0 CHADMN Cc1ccc2oc(CN[C@H](c3cnn(C)c3)C(C)C)cc2c1 ZINC000886638136 1125700946 /nfs/dbraw/zinc/70/09/46/1125700946.db2.gz MUBWJOBFCAPJNQ-SFHVURJKSA-N 0 1 297.402 3.962 20 0 CHADMN CC[C@@H](NCc1occc1C)c1ccc(OC)c(OC)c1 ZINC000285519083 1125713513 /nfs/dbraw/zinc/71/35/13/1125713513.db2.gz ODHJTTPUFMCRRZ-CQSZACIVSA-N 0 1 289.375 3.846 20 0 CHADMN CC[C@H](N[C@H](C)c1cnccc1C)c1cccc(OC)n1 ZINC000925295474 1125721093 /nfs/dbraw/zinc/72/10/93/1125721093.db2.gz XLUIFSHYOXREQT-HIFRSBDPSA-N 0 1 285.391 3.596 20 0 CHADMN C[C@@H]1CC[C@@H](CO)CN1Cc1cc(Cl)cc(Cl)c1 ZINC000093738171 1125725861 /nfs/dbraw/zinc/72/58/61/1125725861.db2.gz BUTFXMJSENVMRW-GHMZBOCLSA-N 0 1 288.218 3.586 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)Cc1cccc(N)c1 ZINC000261633736 1125736036 /nfs/dbraw/zinc/73/60/36/1125736036.db2.gz FCHOGAIUKNXISP-NSHDSACASA-N 0 1 276.330 3.740 20 0 CHADMN COc1c(C)cc(CN(C)Cc2ccco2)cc1C ZINC000162150633 1125737917 /nfs/dbraw/zinc/73/79/17/1125737917.db2.gz NVAZUYJRNHSNLX-UHFFFAOYSA-N 0 1 259.349 3.537 20 0 CHADMN CSc1ccc(Cl)cc1CN1CC[N@@H+](C)C(C)(C)C1 ZINC001238678038 1131231225 /nfs/dbraw/zinc/23/12/25/1131231225.db2.gz SLDZIHCYXKFWDJ-UHFFFAOYSA-N 0 1 298.883 3.588 20 0 CHADMN CSc1ccc(Cl)cc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001238676383 1131231262 /nfs/dbraw/zinc/23/12/62/1131231262.db2.gz JBEGZLWLRHGUMR-XYYAHUGASA-N 0 1 285.815 3.709 20 0 CHADMN CCCOc1cccc(CN(C)Cc2ccco2)c1 ZINC000162169249 1125740877 /nfs/dbraw/zinc/74/08/77/1125740877.db2.gz GSYSYFITZOZFSX-UHFFFAOYSA-N 0 1 259.349 3.700 20 0 CHADMN CC[C@H](CN[C@@H](C)c1nccs1)Oc1ccccc1C ZINC000090218903 1125741103 /nfs/dbraw/zinc/74/11/03/1125741103.db2.gz NMTXOEPGHAIGGS-UONOGXRCSA-N 0 1 290.432 3.960 20 0 CHADMN CC[C@@H](OC1CCCCC1)c1nc(C2(N)CCCC2)no1 ZINC000261716646 1125741868 /nfs/dbraw/zinc/74/18/68/1125741868.db2.gz JIEQJTBARQNFGI-CYBMUJFWSA-N 0 1 293.411 3.598 20 0 CHADMN C[C@H](c1nc(C2(N)CCC2)no1)c1ccc2ccccc2c1 ZINC000261763445 1125743119 /nfs/dbraw/zinc/74/31/19/1125743119.db2.gz MPSODHWLOULENG-LBPRGKRZSA-N 0 1 293.370 3.713 20 0 CHADMN COc1cc(C)cc(CN[C@@H](C)c2ccc(C)o2)c1 ZINC000090723728 1125745284 /nfs/dbraw/zinc/74/52/84/1125745284.db2.gz WPTLRNCWJBJORO-ZDUSSCGKSA-N 0 1 259.349 3.756 20 0 CHADMN COc1ccccc1[C@H](N[C@H](C)C(C)C)c1ccccn1 ZINC000090913596 1125746248 /nfs/dbraw/zinc/74/62/48/1125746248.db2.gz XUOXRXBZKFPBKX-KDOFPFPSSA-N 0 1 284.403 3.814 20 0 CHADMN C[C@H](c1nc(C2(N)CCCC2)no1)c1cccc(Cl)c1 ZINC000261899082 1125746339 /nfs/dbraw/zinc/74/63/39/1125746339.db2.gz YJKAEKSAYPNCGD-JTQLQIEISA-N 0 1 291.782 3.603 20 0 CHADMN C[C@H](CN[C@@H](C)c1nccs1)Oc1ccc(Cl)cc1 ZINC000091730764 1125752113 /nfs/dbraw/zinc/75/21/13/1125752113.db2.gz QFOPWPYQKOMVPT-MNOVXSKESA-N 0 1 296.823 3.915 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccc(N(C)C)n2)c(C)s1 ZINC000090850826 1125746983 /nfs/dbraw/zinc/74/69/83/1125746983.db2.gz KCCRSXDTHVHSSY-GFCCVEGCSA-N 0 1 289.448 3.677 20 0 CHADMN Cc1cccc(O[C@H](C)CN[C@@H](C)c2nccs2)c1 ZINC000091729456 1125752899 /nfs/dbraw/zinc/75/28/99/1125752899.db2.gz OLOUBLDYSBCCKY-OLZOCXBDSA-N 0 1 276.405 3.570 20 0 CHADMN c1ncc(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)[nH]1 ZINC000093105485 1125764324 /nfs/dbraw/zinc/76/43/24/1125764324.db2.gz VEGZLJZWMQCHGC-KRWDZBQOSA-N 0 1 280.375 3.618 20 0 CHADMN Cc1ncsc1CN1CCc2ccccc2[C@H]1C ZINC000093149671 1125765282 /nfs/dbraw/zinc/76/52/82/1125765282.db2.gz ADGQFXBMNJIFCU-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2sc(C)nc2C)cc1 ZINC000093275557 1125766531 /nfs/dbraw/zinc/76/65/31/1125766531.db2.gz DVSQLZLEYSMTDS-LBPRGKRZSA-N 0 1 290.432 3.962 20 0 CHADMN Cc1cccnc1CN(C)Cc1ccc(Cl)cc1 ZINC000093158621 1125767594 /nfs/dbraw/zinc/76/75/94/1125767594.db2.gz XQWJNAZQWOIGFG-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1cccc(OC[C@H](C)N[C@@H](C)c2nccs2)c1 ZINC000093400162 1125769323 /nfs/dbraw/zinc/76/93/23/1125769323.db2.gz DZKCMXKZLDFDAQ-STQMWFEESA-N 0 1 276.405 3.570 20 0 CHADMN CC(=O)c1ccc(CN2CCC(c3ccco3)CC2)cc1 ZINC001118561639 1131231747 /nfs/dbraw/zinc/23/17/47/1131231747.db2.gz ONNIBVHOWHMYAL-UHFFFAOYSA-N 0 1 283.371 3.862 20 0 CHADMN CCc1ccc([C@@H]2C[C@H](C)CCN2Cc2cnc[nH]2)o1 ZINC000093871154 1125773856 /nfs/dbraw/zinc/77/38/56/1125773856.db2.gz KBIOZOSZTSRWKS-DOMZBBRYSA-N 0 1 273.380 3.538 20 0 CHADMN C[C@@H](CCSc1ccccc1)SCc1nnc[nH]1 ZINC001118597446 1131232173 /nfs/dbraw/zinc/23/21/73/1131232173.db2.gz MOEPYCOOVDSEOA-NSHDSACASA-N 0 1 279.434 3.609 20 0 CHADMN CSc1cc(C)cc(CN2CCC[C@@H]2CF)c1 ZINC001238689469 1131232358 /nfs/dbraw/zinc/23/23/58/1131232358.db2.gz JQSRUHSAOSWNBQ-CYBMUJFWSA-N 0 1 253.386 3.651 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CC[C@@H](OC(C)C)C1 ZINC001238699891 1131233745 /nfs/dbraw/zinc/23/37/45/1131233745.db2.gz TXBJNYFYFYMYED-MRXNPFEDSA-N 0 1 295.398 3.612 20 0 CHADMN CCOc1ccc(C)c(CN2CCC(F)(F)CC2)c1 ZINC001238703664 1131233880 /nfs/dbraw/zinc/23/38/80/1131233880.db2.gz DTYNWLRMJPZGMQ-UHFFFAOYSA-N 0 1 269.335 3.625 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2cc(C)ns2)c1 ZINC000638459546 1129259311 /nfs/dbraw/zinc/25/93/11/1129259311.db2.gz YWMSEXWKJSNFCF-GFCCVEGCSA-N 0 1 276.405 3.701 20 0 CHADMN CCOc1cncc(CN(C)[C@H](C)c2ccc(F)cc2)c1 ZINC000621710568 1129182681 /nfs/dbraw/zinc/18/26/81/1129182681.db2.gz HLTKHATZZFIEOE-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN Fc1ccccc1C1CCN(C/C=C/Cl)CC1 ZINC000736946478 1129381383 /nfs/dbraw/zinc/38/13/83/1129381383.db2.gz ORFSBUCTNVCLCT-FPYGCLRLSA-N 0 1 253.748 3.758 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2ccc3oc(C(C)C)nc3c2)[nH]1 ZINC000621540712 1129179107 /nfs/dbraw/zinc/17/91/07/1129179107.db2.gz GUJVFALWPXBMCW-UHFFFAOYSA-N 0 1 298.346 3.543 20 0 CHADMN CN(Cc1nc(-c2cccc(Cl)c2)no1)C(C)(C)C ZINC000646087358 1129520960 /nfs/dbraw/zinc/52/09/60/1129520960.db2.gz YRMPFWWPZOESLR-UHFFFAOYSA-N 0 1 279.771 3.620 20 0 CHADMN Cc1cc(CNc2cc(Cl)ccc2OC(F)F)n[nH]1 ZINC001327857137 1129537657 /nfs/dbraw/zinc/53/76/57/1129537657.db2.gz UECMHCWOXUDICN-UHFFFAOYSA-N 0 1 287.697 3.585 20 0 CHADMN CCc1nocc1CN(C)[C@H](C)c1ccc(C)cc1 ZINC000647958932 1129589075 /nfs/dbraw/zinc/58/90/75/1129589075.db2.gz NGOOJUKHWFHZQW-CYBMUJFWSA-N 0 1 258.365 3.738 20 0 CHADMN O=C1[C@H]2CCCCCC2=NN1c1cccc(Cl)c1 ZINC000100221473 1129653810 /nfs/dbraw/zinc/65/38/10/1129653810.db2.gz KMBGETHUPBWTSZ-LBPRGKRZSA-N 0 1 262.740 3.623 20 0 CHADMN O=c1c2c([nH]n1-c1cccc(Cl)c1)CCCCC2 ZINC000100221473 1129653814 /nfs/dbraw/zinc/65/38/14/1129653814.db2.gz KMBGETHUPBWTSZ-LBPRGKRZSA-N 0 1 262.740 3.623 20 0 CHADMN C[C@@H](NCc1ccnc(Cl)c1)c1ccsc1 ZINC000381277977 1129836508 /nfs/dbraw/zinc/83/65/08/1129836508.db2.gz XJBVTMGFLQGDEL-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1nc(C(C)(C)C)co1 ZINC000724364143 1129852147 /nfs/dbraw/zinc/85/21/47/1129852147.db2.gz MALDVVATRDQWJQ-LLVKDONJSA-N 0 1 252.402 3.886 20 0 CHADMN CCc1oc(C[N@@H+]([C@H](C)C(C)C)C2CC2)cc1C(=O)[O-] ZINC000901417860 1129922877 /nfs/dbraw/zinc/92/28/77/1129922877.db2.gz VWRCZQFAFCETRW-LLVKDONJSA-N 0 1 279.380 3.549 20 0 CHADMN CC[C@@H](C[N@@H+](CCC(=O)[O-])CC(C)C)c1ccccc1 ZINC000901596427 1129938486 /nfs/dbraw/zinc/93/84/86/1129938486.db2.gz VNYICNBMNAHUHP-HNNXBMFYSA-N 0 1 277.408 3.613 20 0 CHADMN CCCCCCC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000772657558 1130035538 /nfs/dbraw/zinc/03/55/38/1130035538.db2.gz QUHAOSGVQPTUJE-UHFFFAOYSA-N 0 1 279.428 3.636 20 0 CHADMN CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)C1 ZINC000394518062 1130103729 /nfs/dbraw/zinc/10/37/29/1130103729.db2.gz FJTUUKWFJZBREQ-PMPSAXMXSA-N 0 1 281.440 3.780 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2cncs2)c(C)n1 ZINC000903310511 1130150636 /nfs/dbraw/zinc/15/06/36/1130150636.db2.gz KCOJHQGXDKBFAZ-NWDGAFQWSA-N 0 1 261.394 3.567 20 0 CHADMN CCOc1ccc(C)c(CN(CC)Cc2cccnc2)c1 ZINC001238716952 1131237315 /nfs/dbraw/zinc/23/73/15/1131237315.db2.gz NBUXWJJBDUKLOE-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN CC(C)c1ccc(CN2CCCC[C@@](C)(O)C2)c(Cl)n1 ZINC001238721668 1131237388 /nfs/dbraw/zinc/23/73/88/1131237388.db2.gz IXHMJGADHFDPDG-MRXNPFEDSA-N 0 1 296.842 3.595 20 0 CHADMN C[C@H](NC/C=C\Cl)c1cc2c(ccnc2Cl)o1 ZINC000903444294 1130177891 /nfs/dbraw/zinc/17/78/91/1130177891.db2.gz OFJIJOBEXWMFJU-LTMVXPGCSA-N 0 1 271.147 3.884 20 0 CHADMN Cc1noc([C@@H]2CCC[N@@H+]2[C@H](C)CCCC(C)C)n1 ZINC001170087725 1130201024 /nfs/dbraw/zinc/20/10/24/1130201024.db2.gz JQJPDHDUAXZAMR-OCCSQVGLSA-N 0 1 265.401 3.730 20 0 CHADMN Cc1noc([C@@H]2CCCN2[C@H](C)CCCC(C)C)n1 ZINC001170087725 1130201031 /nfs/dbraw/zinc/20/10/31/1130201031.db2.gz JQJPDHDUAXZAMR-OCCSQVGLSA-N 0 1 265.401 3.730 20 0 CHADMN CO[C@H](C)c1nc(CN[C@@H]2CC[C@H]2C2CCC2)cs1 ZINC000337986179 1126705913 /nfs/dbraw/zinc/70/59/13/1126705913.db2.gz BCRJQCFNCPVMSN-DDTOSNHZSA-N 0 1 280.437 3.519 20 0 CHADMN CC(C)CC[C@H](O)CN(C)[C@@H](C)c1cc(F)ccc1F ZINC000481723361 1126708987 /nfs/dbraw/zinc/70/89/87/1126708987.db2.gz APTBFOWADMATCW-JSGCOSHPSA-N 0 1 285.378 3.755 20 0 CHADMN CC(C)CC[C@H](O)CN(C)[C@H](C)c1cc(F)ccc1F ZINC000481723362 1126709115 /nfs/dbraw/zinc/70/91/15/1126709115.db2.gz APTBFOWADMATCW-OCCSQVGLSA-N 0 1 285.378 3.755 20 0 CHADMN COc1cc2c(cc1F)CC[C@@H]2N[C@H](C)c1cncs1 ZINC000338011057 1126709772 /nfs/dbraw/zinc/70/97/72/1126709772.db2.gz MGJMSTICJNJZIO-RNCFNFMXSA-N 0 1 292.379 3.629 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccncc2F)cc1 ZINC000338010903 1126710162 /nfs/dbraw/zinc/71/01/62/1126710162.db2.gz GQEYECCMALKFJZ-RYUDHWBXSA-N 0 1 274.339 3.641 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N(C)CCC2CC2)n1 ZINC000135309989 1126717309 /nfs/dbraw/zinc/71/73/09/1126717309.db2.gz VESHAKOCNMFXFY-ZDUSSCGKSA-N 0 1 285.391 3.838 20 0 CHADMN Cn1nccc1[C@@H]1CCCN(Cc2ccc(Cl)s2)C1 ZINC000338026937 1126712613 /nfs/dbraw/zinc/71/26/13/1126712613.db2.gz IBOPFDWEHYGVNO-LLVKDONJSA-N 0 1 295.839 3.515 20 0 CHADMN C[C@@H](NC[C@H](O)c1ccsc1)c1ccc(F)cc1Cl ZINC000223914959 1126718260 /nfs/dbraw/zinc/71/82/60/1126718260.db2.gz QLWQQACRIOXRJA-OTYXRUKQSA-N 0 1 299.798 3.925 20 0 CHADMN C[C@H](NC[C@@H](O)c1ccsc1)c1ccc(F)cc1Cl ZINC000223914901 1126718374 /nfs/dbraw/zinc/71/83/74/1126718374.db2.gz QLWQQACRIOXRJA-LKFCYVNXSA-N 0 1 299.798 3.925 20 0 CHADMN C(=C/[C@H]1CCCN1Cc1cnc2n1CCC2)\c1ccccc1 ZINC000667960892 1126718733 /nfs/dbraw/zinc/71/87/33/1126718733.db2.gz ZAMUEBPHCBFRFB-SXSDINLZSA-N 0 1 293.414 3.507 20 0 CHADMN c1csc(-c2noc([C@@H]3NCC[C@@H]4CCCC[C@H]34)n2)c1 ZINC000899994348 1126720574 /nfs/dbraw/zinc/72/05/74/1126720574.db2.gz ZSAYIHUVHMZICT-GMXVVIOVSA-N 0 1 289.404 3.639 20 0 CHADMN CC(C)c1nc(CS[C@@H](C)c2ccccc2)n[nH]1 ZINC000600603768 1126723071 /nfs/dbraw/zinc/72/30/71/1126723071.db2.gz QUKMZTDWPXAKBX-NSHDSACASA-N 0 1 261.394 3.923 20 0 CHADMN CCS[C@H]1CCC[C@@H]1NCc1csc(C2CC2)n1 ZINC000348471334 1126725378 /nfs/dbraw/zinc/72/53/78/1126725378.db2.gz UFASYMVAMXSRRK-STQMWFEESA-N 0 1 282.478 3.784 20 0 CHADMN CCc1cnc(CN(C)C[C@H]2CCCC(F)(F)C2)s1 ZINC000338311465 1126733302 /nfs/dbraw/zinc/73/33/02/1126733302.db2.gz DMBFJTVPICVSFG-NSHDSACASA-N 0 1 288.407 3.963 20 0 CHADMN CCN(Cc1c(Cl)cccc1OC)C1CCC1 ZINC000338314420 1126734136 /nfs/dbraw/zinc/73/41/36/1126734136.db2.gz JDWASYSHZDFPSF-UHFFFAOYSA-N 0 1 253.773 3.723 20 0 CHADMN Cc1nnc([C@@H]2CCCCN2CCCc2ccc(C)cc2)[nH]1 ZINC000338326773 1126734679 /nfs/dbraw/zinc/73/46/79/1126734679.db2.gz AMEOVWJIDUWWCN-KRWDZBQOSA-N 0 1 298.434 3.581 20 0 CHADMN Cc1nnc([C@@H]2CCCCN2CC[C@H]2CCC[C@H](C)C2)[nH]1 ZINC000338333874 1126735346 /nfs/dbraw/zinc/73/53/46/1126735346.db2.gz RLLFQVJJAUZCLU-IMJJTQAJSA-N 0 1 290.455 3.857 20 0 CHADMN C[C@@H](NC1c2ccccc2-c2ccccc21)c1cnn(C)c1 ZINC000157862705 1126736698 /nfs/dbraw/zinc/73/66/98/1126736698.db2.gz GKZZJYHRNJEWRJ-CYBMUJFWSA-N 0 1 289.382 3.841 20 0 CHADMN COc1cc(C)nc(CN2CCC(C)=C(c3ccco3)C2)c1 ZINC000338356251 1126736760 /nfs/dbraw/zinc/73/67/60/1126736760.db2.gz MEIJURGTRVLLBD-UHFFFAOYSA-N 0 1 298.386 3.671 20 0 CHADMN COc1c(Br)cccc1CN1C[C@@H](C)C[C@H]1C ZINC000481992153 1126737340 /nfs/dbraw/zinc/73/73/40/1126737340.db2.gz QBFZTSFWMYGBDB-WDEREUQCSA-N 0 1 298.224 3.688 20 0 CHADMN C[C@@H](NCCOC1CCCCCC1)c1ccncc1F ZINC000338357163 1126738420 /nfs/dbraw/zinc/73/84/20/1126738420.db2.gz NKRGAWFXGLDJAC-CYBMUJFWSA-N 0 1 280.387 3.611 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2cnc(Cl)s2)n1 ZINC000151385733 1126752951 /nfs/dbraw/zinc/75/29/51/1126752951.db2.gz LECLVFQJEWTLNX-UHFFFAOYSA-N 0 1 288.829 3.504 20 0 CHADMN CC(C)(C)c1nc(SCc2cnc(Cl)s2)n[nH]1 ZINC000151385733 1126752954 /nfs/dbraw/zinc/75/29/54/1126752954.db2.gz LECLVFQJEWTLNX-UHFFFAOYSA-N 0 1 288.829 3.504 20 0 CHADMN Cc1noc([C@@H](C)N[C@@H](C)Cc2ccc3c(c2)CCCC3)n1 ZINC000668050146 1126757840 /nfs/dbraw/zinc/75/78/40/1126757840.db2.gz HJSCERDPXDUFGS-QWHCGFSZSA-N 0 1 299.418 3.539 20 0 CHADMN C[C@@H](N[C@H]1CCC[C@@H]2C[C@@H]21)c1nc(C2CCCCC2)no1 ZINC000668051362 1126757897 /nfs/dbraw/zinc/75/78/97/1126757897.db2.gz OMJKQMNOTDNSDZ-RZFFKMDDSA-N 0 1 289.423 3.957 20 0 CHADMN COc1ccccc1CN1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000482480601 1126759410 /nfs/dbraw/zinc/75/94/10/1126759410.db2.gz BXSNEBPBXKJRGV-WCQYABFASA-N 0 1 287.325 3.858 20 0 CHADMN CC[C@@H]1[C@H](C)CCN1Cc1cc(F)c(F)c(F)c1 ZINC000482503461 1126761625 /nfs/dbraw/zinc/76/16/25/1126761625.db2.gz FTAQGCNAVJRIEF-NOZJJQNGSA-N 0 1 257.299 3.724 20 0 CHADMN Cc1ncsc1-c1ccc(CN2CC[C@@H](F)C2)cc1 ZINC000668213918 1126769777 /nfs/dbraw/zinc/76/97/77/1126769777.db2.gz PQRJXNYVJSQFTE-CQSZACIVSA-N 0 1 276.380 3.662 20 0 CHADMN Cc1ncsc1-c1ccc(CN2CC[C@H](F)C2)cc1 ZINC000668213917 1126770267 /nfs/dbraw/zinc/77/02/67/1126770267.db2.gz PQRJXNYVJSQFTE-AWEZNQCLSA-N 0 1 276.380 3.662 20 0 CHADMN C[C@@H](N[C@@H]1CO[C@H](C2CC2)C1)c1ccc(F)cc1Cl ZINC000668199330 1126766111 /nfs/dbraw/zinc/76/61/11/1126766111.db2.gz QJZBPBSOFTVFOV-LYSGOOTNSA-N 0 1 283.774 3.697 20 0 CHADMN CC1(C)CCN(Cc2csc(-c3ccoc3)n2)C1 ZINC000174259232 1126767773 /nfs/dbraw/zinc/76/77/73/1126767773.db2.gz IMKRBPWNNSKRML-UHFFFAOYSA-N 0 1 262.378 3.635 20 0 CHADMN CC[C@](C)(NCc1cccs1)c1nc(C)cs1 ZINC000174503506 1126771107 /nfs/dbraw/zinc/77/11/07/1126771107.db2.gz XVBWBAQURZGHEX-ZDUSSCGKSA-N 0 1 266.435 3.928 20 0 CHADMN CCCCc1noc(CN2CCC[C@H](C(C)(C)C)C2)n1 ZINC000483255525 1126775633 /nfs/dbraw/zinc/77/56/33/1126775633.db2.gz KKXOSTZHQAIPRR-ZDUSSCGKSA-N 0 1 279.428 3.670 20 0 CHADMN CC(C)CC[C@@H](NC(=O)[C@H](C)Cc1cnc[nH]1)C(C)(C)C ZINC000568199030 1126772719 /nfs/dbraw/zinc/77/27/19/1126772719.db2.gz OFFIWULMXUSXGZ-UKRRQHHQSA-N 0 1 293.455 3.555 20 0 CHADMN CC(C)C[C@H]1CCN(Cc2csc(N(C)C3CC3)n2)C1 ZINC000483238400 1126773845 /nfs/dbraw/zinc/77/38/45/1126773845.db2.gz CUUPRILYSLIAMJ-CYBMUJFWSA-N 0 1 293.480 3.610 20 0 CHADMN CC[C@H](NCc1nc(CC(C)C)no1)C1CCCCC1 ZINC000678895390 1130468432 /nfs/dbraw/zinc/46/84/32/1130468432.db2.gz OLNRSAASPHWLHR-AWEZNQCLSA-N 0 1 279.428 3.717 20 0 CHADMN CC(C)[C@H]1[N@@H+](Cc2c(C3CC3)cnn2C)CC12CCCC2 ZINC000668228453 1126776262 /nfs/dbraw/zinc/77/62/62/1126776262.db2.gz JFMWNFJLHZVESK-QGZVFWFLSA-N 0 1 287.451 3.698 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)NCc1ncc(Cl)cn1 ZINC001170253643 1130473644 /nfs/dbraw/zinc/47/36/44/1130473644.db2.gz CAVLYCGVHHJCBX-JTQLQIEISA-N 0 1 296.201 3.504 20 0 CHADMN Cc1cnc([C@@H](C)N2CC[C@@](C)(c3ccc(F)cc3)C2)o1 ZINC000483400465 1126784498 /nfs/dbraw/zinc/78/44/98/1126784498.db2.gz CGTQKRIUDWWPHN-CXAGYDPISA-N 0 1 288.366 3.847 20 0 CHADMN CC[C@H](C[N@@H+]([C@@H](C)C(=O)OC)C1CCC1)c1ccccc1 ZINC000483430941 1126785072 /nfs/dbraw/zinc/78/50/72/1126785072.db2.gz YVGIJLSQUJGPIU-LSDHHAIUSA-N 0 1 289.419 3.596 20 0 CHADMN CC[C@H](CN([C@@H](C)C(=O)OC)C1CCC1)c1ccccc1 ZINC000483430941 1126785077 /nfs/dbraw/zinc/78/50/77/1126785077.db2.gz YVGIJLSQUJGPIU-LSDHHAIUSA-N 0 1 289.419 3.596 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H]2CCC[C@H](C)C2)no1 ZINC000483322176 1126781188 /nfs/dbraw/zinc/78/11/88/1126781188.db2.gz HDZINVGTKMNZCW-JSGCOSHPSA-N 0 1 285.391 3.713 20 0 CHADMN CC(C)(NCc1cccc(O)c1)c1ccc(F)c(F)c1 ZINC000175989863 1126787836 /nfs/dbraw/zinc/78/78/36/1126787836.db2.gz XGUBCRDVANCZSS-UHFFFAOYSA-N 0 1 277.314 3.695 20 0 CHADMN CC(C)CCc1noc(CN2CCCCCCCC2)n1 ZINC001170341773 1130486326 /nfs/dbraw/zinc/48/63/26/1130486326.db2.gz FBHVHAPHTHLTHH-UHFFFAOYSA-N 0 1 279.428 3.814 20 0 CHADMN CCn1c2ccccc2nc1[C@H]1CCCN1CCSC ZINC000176924593 1126795702 /nfs/dbraw/zinc/79/57/02/1126795702.db2.gz SYRNXENYEFNNCS-OAHLLOKOSA-N 0 1 289.448 3.556 20 0 CHADMN CCN(Cc1cc(C)sc1C)Cc1ccccn1 ZINC000177003475 1126795972 /nfs/dbraw/zinc/79/59/72/1126795972.db2.gz OOYAHMVNKPHPMD-UHFFFAOYSA-N 0 1 260.406 3.782 20 0 CHADMN CCc1ccc(-c2noc([C@@H](C)N[C@@H](C)C3CC3)n2)cc1 ZINC000483654658 1126797103 /nfs/dbraw/zinc/79/71/03/1126797103.db2.gz OKNLROMLQXHIAB-NWDGAFQWSA-N 0 1 285.391 3.748 20 0 CHADMN CC(C)c1nnc(CNC(C)(C)CCc2ccccc2)o1 ZINC000177186991 1126798355 /nfs/dbraw/zinc/79/83/55/1126798355.db2.gz HOUOTSRSBZRVIF-UHFFFAOYSA-N 0 1 287.407 3.694 20 0 CHADMN C[C@H](CN1CC=CCC1)c1cccc(Br)c1 ZINC000679361224 1130521304 /nfs/dbraw/zinc/52/13/04/1130521304.db2.gz YHRABFDQOQPSTF-GFCCVEGCSA-N 0 1 280.209 3.815 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1cncc(Br)c1 ZINC000163220081 1126800516 /nfs/dbraw/zinc/80/05/16/1126800516.db2.gz QZXSQVJXYLTNPR-GWCFXTLKSA-N 0 1 283.213 3.607 20 0 CHADMN C[C@@H](NCCOc1ccc(C(C)(C)C)cc1)c1cnccn1 ZINC000177815892 1126805430 /nfs/dbraw/zinc/80/54/30/1126805430.db2.gz BQNCZTXTSOTSQD-CQSZACIVSA-N 0 1 299.418 3.504 20 0 CHADMN Cc1c([C@H](C)N[C@@H](C)c2ccc3ccccc3n2)cnn1C ZINC000177963795 1126807988 /nfs/dbraw/zinc/80/79/88/1126807988.db2.gz XURJKOUCZZQADL-STQMWFEESA-N 0 1 294.402 3.689 20 0 CHADMN Fc1ccc(/C=C/CN2CCC(F)(F)CC2)cc1 ZINC000793360145 1130545198 /nfs/dbraw/zinc/54/51/98/1130545198.db2.gz QSRQVAUVTNCVQL-OWOJBTEDSA-N 0 1 255.283 3.570 20 0 CHADMN COc1cccc(CN[C@H]2CCCc3ccc(C)cc32)n1 ZINC000178957821 1126822271 /nfs/dbraw/zinc/82/22/71/1126822271.db2.gz MOJYEGNABVKTMZ-KRWDZBQOSA-N 0 1 282.387 3.566 20 0 CHADMN Cc1ccc(Br)c(CN2CC3CC(C3)C2)c1 ZINC001137385997 1130551850 /nfs/dbraw/zinc/55/18/50/1130551850.db2.gz LMXNVJGQYMGVAN-UHFFFAOYSA-N 0 1 280.209 3.599 20 0 CHADMN Cc1ccc([C@H](C)NCc2cn3cc(C)ccc3n2)cc1 ZINC000178726820 1126819061 /nfs/dbraw/zinc/81/90/61/1126819061.db2.gz DJYHBMVLMPCPRT-HNNXBMFYSA-N 0 1 279.387 3.802 20 0 CHADMN C[C@H](N[C@@H]1CCOc2ccc(F)cc21)c1cccc(O)c1 ZINC000178758122 1126819978 /nfs/dbraw/zinc/81/99/78/1126819978.db2.gz UMTGRUGXLHNJML-MEDUHNTESA-N 0 1 287.334 3.706 20 0 CHADMN COc1cc(C)ccc1CN[C@H](C)c1ccc(Cl)nc1 ZINC000179139579 1126823819 /nfs/dbraw/zinc/82/38/19/1126823819.db2.gz KSCATJDDXSXVII-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](C)c1ccc(Cl)nc1 ZINC000179139565 1126824013 /nfs/dbraw/zinc/82/40/13/1126824013.db2.gz KSCATJDDXSXVII-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CCN(Cc1ccccn1)[C@H]1CCc2ccc(F)cc21 ZINC000179367400 1126827418 /nfs/dbraw/zinc/82/74/18/1126827418.db2.gz WISFVCXCJSLTIK-KRWDZBQOSA-N 0 1 270.351 3.730 20 0 CHADMN CC(C)n1cc(CN(C)[C@@H](C)c2cccs2)cn1 ZINC000179409230 1126827630 /nfs/dbraw/zinc/82/76/30/1126827630.db2.gz JBXJBUQSXLTIBY-LBPRGKRZSA-N 0 1 263.410 3.719 20 0 CHADMN C[C@H](c1noc([C@@H]2CC[C@H]3CCCC[C@H]3N2)n1)C1CC1 ZINC000904098022 1126828327 /nfs/dbraw/zinc/82/83/27/1126828327.db2.gz MEMZORSEXOKGBZ-ASEORRQLSA-N 0 1 275.396 3.566 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(-c2c[nH]c3ccccc23)no1 ZINC000904110070 1126829069 /nfs/dbraw/zinc/82/90/69/1126829069.db2.gz MMPQENUPFPRTHD-AWEZNQCLSA-N 0 1 284.363 3.525 20 0 CHADMN CSCC[C@H](C)N(C)Cc1ccnc(Cl)c1Cl ZINC000811466853 1130611676 /nfs/dbraw/zinc/61/16/76/1130611676.db2.gz ZUMQSKZQHRBILE-VIFPVBQESA-N 0 1 293.263 3.962 20 0 CHADMN CC[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1csnn1 ZINC000179695606 1126832672 /nfs/dbraw/zinc/83/26/72/1126832672.db2.gz CVIQXQYBXGZFBC-HOTGVXAUSA-N 0 1 287.432 3.696 20 0 CHADMN CC(C)n1cc(CN(C)[C@H](C)c2ccccc2)cn1 ZINC000179701845 1126832712 /nfs/dbraw/zinc/83/27/12/1126832712.db2.gz OFWJJLIECLSKCI-CQSZACIVSA-N 0 1 257.381 3.657 20 0 CHADMN CCc1oc2ccccc2c1CN(C)Cc1ccc(CO)o1 ZINC000179764657 1126833841 /nfs/dbraw/zinc/83/38/41/1126833841.db2.gz JQABJVFCCMURBK-UHFFFAOYSA-N 0 1 299.370 3.713 20 0 CHADMN CCC[C@@H](C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179839810 1126834822 /nfs/dbraw/zinc/83/48/22/1126834822.db2.gz QICPCPFAGAMDBS-MRVPVSSYSA-N 0 1 281.306 3.875 20 0 CHADMN C[C@H](c1ccccc1Cl)N(Cc1cnc[nH]1)C1CC1 ZINC000180024710 1126838494 /nfs/dbraw/zinc/83/84/94/1126838494.db2.gz UHQKAPXUJWCRPY-LLVKDONJSA-N 0 1 275.783 3.789 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2C)C2CC2)on1 ZINC000180095641 1126839956 /nfs/dbraw/zinc/83/99/56/1126839956.db2.gz DERKMXYAZASTBX-MRXNPFEDSA-N 0 1 256.349 3.532 20 0 CHADMN CC(C)c1ccc(CN2CCC[C@@](C)(O)CC2)c(Cl)n1 ZINC001238723896 1131238176 /nfs/dbraw/zinc/23/81/76/1131238176.db2.gz HORGACSFIIMOEH-MRXNPFEDSA-N 0 1 296.842 3.595 20 0 CHADMN C[C@@H](NCc1nc(-c2ccco2)no1)[C@@H](C)c1ccccc1 ZINC000181537009 1126857528 /nfs/dbraw/zinc/85/75/28/1126857528.db2.gz HSFDAAZZDFWGMO-CHWSQXEVSA-N 0 1 297.358 3.611 20 0 CHADMN Cc1cccc([C@H]2CCC[N@H+]2CCCCC(=O)[O-])c1C ZINC000181568242 1126858074 /nfs/dbraw/zinc/85/80/74/1126858074.db2.gz XDSHQEHPHZZMOV-MRXNPFEDSA-N 0 1 275.392 3.695 20 0 CHADMN Cc1ccc(-c2noc(-c3cc4cccnc4[nH]3)n2)cc1 ZINC000904571577 1126860566 /nfs/dbraw/zinc/86/05/66/1126860566.db2.gz HLQXZLZQSFRELB-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2ccc(C3CCC3)cc2)[nH]1 ZINC000621977512 1129211295 /nfs/dbraw/zinc/21/12/95/1129211295.db2.gz MJDSASXUJOUCOW-UHFFFAOYSA-N 0 1 269.348 3.546 20 0 CHADMN C[C@@H](Cc1c(Cl)cccc1Cl)NCc1cocn1 ZINC000182068143 1126865170 /nfs/dbraw/zinc/86/51/70/1126865170.db2.gz GTPCZJRYANNVQB-VIFPVBQESA-N 0 1 285.174 3.702 20 0 CHADMN Clc1ccc(CN[C@H]2CCc3ccccc32)nc1 ZINC000182130017 1126866441 /nfs/dbraw/zinc/86/64/41/1126866441.db2.gz HXLZPLSFSICYJT-HNNXBMFYSA-N 0 1 258.752 3.512 20 0 CHADMN Clc1ccc([C@H]2OCC[C@@H]2NCc2ccco2)cc1 ZINC000182112843 1126866800 /nfs/dbraw/zinc/86/68/00/1126866800.db2.gz CFPAGVBPCIIGDH-LSDHHAIUSA-N 0 1 277.751 3.553 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(Cl)cn2)s1 ZINC000182118161 1126866836 /nfs/dbraw/zinc/86/68/36/1126866836.db2.gz APBULUXLJCDKDA-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN C1CC2(c3nc(C4CCCCCCC4)no3)CCC1N2 ZINC000904633847 1126863374 /nfs/dbraw/zinc/86/33/74/1126863374.db2.gz MRFFLPNQMOZMHK-UHFFFAOYSA-N 0 1 275.396 3.639 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc(Cl)n2)cc1 ZINC000182323831 1126870156 /nfs/dbraw/zinc/87/01/56/1126870156.db2.gz PRZWLEHJSUODRV-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN CC[N@H+]1CCC[C@@H](Oc2cc(F)c(SC)cc2F)C1 ZINC001234926733 1130692798 /nfs/dbraw/zinc/69/27/98/1130692798.db2.gz HQJCJUJVNDXXGU-SNVBAGLBSA-N 0 1 287.375 3.550 20 0 CHADMN CCN1CCC[C@@H](Oc2cc(F)c(SC)cc2F)C1 ZINC001234926733 1130692802 /nfs/dbraw/zinc/69/28/02/1130692802.db2.gz HQJCJUJVNDXXGU-SNVBAGLBSA-N 0 1 287.375 3.550 20 0 CHADMN CC[C@@H](NCc1c(C)cc(C)cc1C)c1nccn1C ZINC000182681639 1126876484 /nfs/dbraw/zinc/87/64/84/1126876484.db2.gz MWYZKJWIWZGCDY-MRXNPFEDSA-N 0 1 271.408 3.586 20 0 CHADMN CC(C)Cn1cc(C[N@@H+](C)[C@H](C)c2cccs2)cn1 ZINC000183074550 1126881855 /nfs/dbraw/zinc/88/18/55/1126881855.db2.gz CEVHQYPHPVUTIX-CYBMUJFWSA-N 0 1 277.437 3.794 20 0 CHADMN CC(C)Cn1cc(CN(C)[C@H](C)c2cccs2)cn1 ZINC000183074550 1126881859 /nfs/dbraw/zinc/88/18/59/1126881859.db2.gz CEVHQYPHPVUTIX-CYBMUJFWSA-N 0 1 277.437 3.794 20 0 CHADMN Clc1cscc1-c1ccc([C@@H]2COCCN2)cc1 ZINC000904895465 1126883529 /nfs/dbraw/zinc/88/35/29/1126883529.db2.gz POYQEXMONKSMSB-AWEZNQCLSA-N 0 1 279.792 3.729 20 0 CHADMN C[C@H](c1ccccc1)[C@H](C)NCc1nc(C(C)(C)C)no1 ZINC000183352023 1126886123 /nfs/dbraw/zinc/88/61/23/1126886123.db2.gz CEMVWRSUVQXTTQ-STQMWFEESA-N 0 1 287.407 3.649 20 0 CHADMN Cc1ccc(NC(=O)C(C)(C)N2CCCCC2)c(C)c1 ZINC000905031927 1126888307 /nfs/dbraw/zinc/88/83/07/1126888307.db2.gz RARMFYGAIOGQAS-UHFFFAOYSA-N 0 1 274.408 3.506 20 0 CHADMN Cc1sc(C)c2c1[nH]c([C@H]1CC1(Cl)Cl)nc2=O ZINC000905030900 1126888648 /nfs/dbraw/zinc/88/86/48/1126888648.db2.gz ATEKMCJZTPGPBN-ZCFIWIBFSA-N 0 1 289.187 3.675 20 0 CHADMN CCC[C@@H]1C[C@H](C(=O)Nc2cccc(Cl)c2O)CCO1 ZINC000183772018 1126892139 /nfs/dbraw/zinc/89/21/39/1126892139.db2.gz XAHUTJJYWQXWHM-GHMZBOCLSA-N 0 1 297.782 3.579 20 0 CHADMN CCCC[C@H](CC)C[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000905368820 1126898549 /nfs/dbraw/zinc/89/85/49/1126898549.db2.gz CFCCYABAWBAYOF-HOCLYGCPSA-N 0 1 277.408 3.961 20 0 CHADMN C[N@@H+](CC[C@H]1CCCC1(F)F)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905372780 1126899594 /nfs/dbraw/zinc/89/95/94/1126899594.db2.gz JWYMDMHGDJVWHC-ZIAGYGMSSA-N 0 1 297.345 3.570 20 0 CHADMN CO[C@@H](C)CSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000187116006 1126908170 /nfs/dbraw/zinc/90/81/70/1126908170.db2.gz SZHHEIAWUVFZLB-JTQLQIEISA-N 0 1 262.378 3.512 20 0 CHADMN COC[C@H](C)Sc1nc(C)c(-c2ccccc2)[nH]1 ZINC000187116455 1126908439 /nfs/dbraw/zinc/90/84/39/1126908439.db2.gz AGOWKHCVZKEZEP-JTQLQIEISA-N 0 1 262.378 3.512 20 0 CHADMN C[C@@H]1CCCN(Cc2cncc(F)c2Cl)C[C@H]1C ZINC001235488693 1130748253 /nfs/dbraw/zinc/74/82/53/1130748253.db2.gz OFEJBXBSCHEQTE-GHMZBOCLSA-N 0 1 270.779 3.742 20 0 CHADMN Cc1cccc([C@H](O)CN2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000905963268 1126923423 /nfs/dbraw/zinc/92/34/23/1126923423.db2.gz RJPRIPBTMKFMOF-QZTJIDSGSA-N 0 1 285.362 3.615 20 0 CHADMN CC=C(CC)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000189097040 1126928338 /nfs/dbraw/zinc/92/83/38/1126928338.db2.gz UPPRJRGTXSNDSC-FPYGCLRLSA-N 0 1 279.290 3.795 20 0 CHADMN CC(C)n1ccc(CN(C)CC2(c3ccccc3)CC2)n1 ZINC000189306774 1126930615 /nfs/dbraw/zinc/93/06/15/1126930615.db2.gz WBKAXEUWDKPWFU-UHFFFAOYSA-N 0 1 283.419 3.628 20 0 CHADMN CC[C@H](C)CC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000189813177 1126935270 /nfs/dbraw/zinc/93/52/70/1126935270.db2.gz XNHWUBBMONSHIH-QMMMGPOBSA-N 0 1 281.306 3.875 20 0 CHADMN CSc1ccc(-c2cnc([C@@H]3CCCCN3)nc2)cc1 ZINC000906152185 1126932240 /nfs/dbraw/zinc/93/22/40/1126932240.db2.gz FJWVTCPMDBSNNU-HNNXBMFYSA-N 0 1 285.416 3.680 20 0 CHADMN c1cc2cccc(-c3cnc([C@@H]4CCCCN4)nc3)c2o1 ZINC000906167204 1126932735 /nfs/dbraw/zinc/93/27/35/1126932735.db2.gz RJGOBJQSKMPEMO-HNNXBMFYSA-N 0 1 279.343 3.704 20 0 CHADMN CCC(=O)CCN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000190177987 1126940159 /nfs/dbraw/zinc/94/01/59/1126940159.db2.gz ZGRDJMDWSHJBSY-CQSZACIVSA-N 0 1 288.416 3.802 20 0 CHADMN C/C=C(\CC)C(=O)Nc1cccc2c1CN(CCC)C2 ZINC000190610732 1126943009 /nfs/dbraw/zinc/94/30/09/1126943009.db2.gz KXSVHEZWOBWDFQ-WLRTZDKTSA-N 0 1 272.392 3.707 20 0 CHADMN Cc1c([C@@H](C)NCc2cccc(F)c2)cnn1C(C)C ZINC000191146354 1126947803 /nfs/dbraw/zinc/94/78/03/1126947803.db2.gz FRDIXRPSUXUUEG-GFCCVEGCSA-N 0 1 275.371 3.762 20 0 CHADMN Oc1ccc(CNCc2cc(F)cc(Cl)c2)cc1F ZINC000485735099 1126948547 /nfs/dbraw/zinc/94/85/47/1126948547.db2.gz RLEDOXDMSMRKHP-UHFFFAOYSA-N 0 1 283.705 3.614 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1CN(C)Cc1nccn1C(F)F ZINC000191049697 1126946792 /nfs/dbraw/zinc/94/67/92/1126946792.db2.gz NNPGQPNBHUFWIO-QWHCGFSZSA-N 0 1 283.366 3.702 20 0 CHADMN Cc1ccc(C)c([C@@H]2CCCN2Cc2cocn2)c1 ZINC000191946606 1126956838 /nfs/dbraw/zinc/95/68/38/1126956838.db2.gz BWIDZFCUWBRFRG-INIZCTEOSA-N 0 1 256.349 3.629 20 0 CHADMN C[C@H]1CCN(Cc2nc3ccccc3s2)CCS1 ZINC000192182984 1126958218 /nfs/dbraw/zinc/95/82/18/1126958218.db2.gz YKISWHMETWQGQA-NSHDSACASA-N 0 1 278.446 3.624 20 0 CHADMN O=C1CCCC12CCN([C@H]1C[C@@H]1c1cccc(F)c1)CC2 ZINC000906590156 1126959595 /nfs/dbraw/zinc/95/95/95/1126959595.db2.gz NVMSKTMPUOSLCO-CVEARBPZSA-N 0 1 287.378 3.517 20 0 CHADMN Cc1sc(NC(=O)CN2CCCCC[C@H]2C)c(C)c1C ZINC000485898899 1126960926 /nfs/dbraw/zinc/96/09/26/1126960926.db2.gz LPFJJACZQHKOLV-LLVKDONJSA-N 0 1 294.464 3.876 20 0 CHADMN CC1(C)CC[C@H](CNCc2cocn2)c2ccccc21 ZINC000192340544 1126961146 /nfs/dbraw/zinc/96/11/46/1126961146.db2.gz ODQWNVBIPUFAIC-CYBMUJFWSA-N 0 1 270.376 3.619 20 0 CHADMN COC[C@@H](NC/C(C)=C/c1ccccc1)c1ccco1 ZINC000192691440 1126963391 /nfs/dbraw/zinc/96/33/91/1126963391.db2.gz ZIDVTHVWKBNQPQ-WSYSLRRZSA-N 0 1 271.360 3.660 20 0 CHADMN C[C@@H](O)CN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000192970263 1126966004 /nfs/dbraw/zinc/96/60/04/1126966004.db2.gz HZLLBFYWZSWODJ-NOZJJQNGSA-N 0 1 274.191 3.511 20 0 CHADMN C=Cn1cc(CN(Cc2ccco2)C2CCCC2)cn1 ZINC000193690490 1126970225 /nfs/dbraw/zinc/97/02/25/1126970225.db2.gz DHZVDNMUGYSPRU-UHFFFAOYSA-N 0 1 271.364 3.521 20 0 CHADMN O=C(Nc1ccccc1-c1nnc[nH]1)[C@@H]1CCC=CCCC1 ZINC000907116267 1126972612 /nfs/dbraw/zinc/97/26/12/1126972612.db2.gz XNEMHFNQBSOVDG-CYBMUJFWSA-N 0 1 296.374 3.547 20 0 CHADMN CN(CCC1CCOCC1)Cc1sccc1Cl ZINC000194409176 1126974520 /nfs/dbraw/zinc/97/45/20/1126974520.db2.gz QXMLXWYPRJDFET-UHFFFAOYSA-N 0 1 273.829 3.650 20 0 CHADMN c1coc(-c2ncc(CN3CCCC4(CC4)C3)s2)c1 ZINC000194490568 1126974748 /nfs/dbraw/zinc/97/47/48/1126974748.db2.gz UYCMCCKJBYEPHF-UHFFFAOYSA-N 0 1 274.389 3.779 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CC(Cc2ccc(C)cc2)C1 ZINC000668608135 1126979015 /nfs/dbraw/zinc/97/90/15/1126979015.db2.gz LTCCGGZHOHZIDD-UHFFFAOYSA-N 0 1 297.446 3.755 20 0 CHADMN CCCN(Cc1ncc(C)o1)[C@H]1CCc2ccccc21 ZINC000266560132 1126984236 /nfs/dbraw/zinc/98/42/36/1126984236.db2.gz XCNXIYUTEHSMLL-INIZCTEOSA-N 0 1 270.376 3.883 20 0 CHADMN C[C@H](NCc1cccc(N(C)C)c1)c1ccccc1F ZINC000266681905 1126986925 /nfs/dbraw/zinc/98/69/25/1126986925.db2.gz SKPNSNZRKSLJIC-ZDUSSCGKSA-N 0 1 272.367 3.743 20 0 CHADMN CN(CCC(F)(F)F)Cc1cc2ccccc2o1 ZINC000266964276 1126990572 /nfs/dbraw/zinc/99/05/72/1126990572.db2.gz ZARHYZQTTDDOSM-UHFFFAOYSA-N 0 1 257.255 3.817 20 0 CHADMN Cc1noc(CN(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000267005334 1126991752 /nfs/dbraw/zinc/99/17/52/1126991752.db2.gz FQCJEXWEWXVAMD-WDEREUQCSA-N 0 1 293.798 3.655 20 0 CHADMN CCCCc1noc(C[N@H+]2CCC[C@H]2[C@@H](C)CCC)n1 ZINC000486776725 1127001505 /nfs/dbraw/zinc/00/15/05/1127001505.db2.gz CVOZDLQZSDSJLT-KBPBESRZSA-N 0 1 279.428 3.813 20 0 CHADMN CCCCc1noc(CN2CCC[C@H]2[C@@H](C)CCC)n1 ZINC000486776725 1127001508 /nfs/dbraw/zinc/00/15/08/1127001508.db2.gz CVOZDLQZSDSJLT-KBPBESRZSA-N 0 1 279.428 3.813 20 0 CHADMN Cn1nncc1CN[C@H](CC1CCCCC1)c1ccccc1 ZINC000267513542 1127001560 /nfs/dbraw/zinc/00/15/60/1127001560.db2.gz KULKROOJTHEBDU-GOSISDBHSA-N 0 1 298.434 3.616 20 0 CHADMN CN(C)Cc1ccsc1C(=O)NC1CCCCCCC1 ZINC000268007403 1127010096 /nfs/dbraw/zinc/01/00/96/1127010096.db2.gz FUYWFOWIDUCLIJ-UHFFFAOYSA-N 0 1 294.464 3.652 20 0 CHADMN Cc1cc(=O)[nH]c([C@H](C)N[C@@H](c2ccccc2)C(C)C)n1 ZINC000268369750 1127017062 /nfs/dbraw/zinc/01/70/62/1127017062.db2.gz HMOMOCYSULSXEI-XJKSGUPXSA-N 0 1 285.391 3.539 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@H](C)c1cnn(C(C)C)c1 ZINC000268709244 1127021004 /nfs/dbraw/zinc/02/10/04/1127021004.db2.gz FZFYMLDGMQQIOX-ZIAGYGMSSA-N 0 1 287.407 3.884 20 0 CHADMN CC[C@H](C)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000268725208 1127021593 /nfs/dbraw/zinc/02/15/93/1127021593.db2.gz AIXLVLXFULTGQX-SMDDNHRTSA-N 0 1 277.799 3.551 20 0 CHADMN CC[C@H](C)[C@H](C)N[C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000268760138 1127022391 /nfs/dbraw/zinc/02/23/91/1127022391.db2.gz KZKOXEPCPYHOJO-HEHGZKQESA-N 0 1 289.398 3.673 20 0 CHADMN CCCN(C(=O)c1[nH]c(C)nc1C)c1ccc(CC)cc1 ZINC000909017398 1127022609 /nfs/dbraw/zinc/02/26/09/1127022609.db2.gz VTUMKMOSLJQLTE-UHFFFAOYSA-N 0 1 285.391 3.646 20 0 CHADMN CN(C)c1ccc(CN[C@@H]2CC(C)(C)Cc3occc32)cn1 ZINC000268762726 1127022595 /nfs/dbraw/zinc/02/25/95/1127022595.db2.gz MDZKBCYPOJLXHL-OAHLLOKOSA-N 0 1 299.418 3.544 20 0 CHADMN c1cn2cc(CN[C@@H]3CCCCc4ccccc43)nc2s1 ZINC000268816321 1127025899 /nfs/dbraw/zinc/02/58/99/1127025899.db2.gz QCSNHXXTSNTAIH-MRXNPFEDSA-N 0 1 297.427 3.953 20 0 CHADMN CCCC[C@H](CC)CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268908820 1127027849 /nfs/dbraw/zinc/02/78/49/1127027849.db2.gz ARXSTQHBUDCPQQ-GXTWGEPZSA-N 0 1 277.412 3.510 20 0 CHADMN C[C@@H](N[C@@H]1CC2(CCC2)Oc2ccccc21)c1cnn(C)c1 ZINC000268910910 1127028437 /nfs/dbraw/zinc/02/84/37/1127028437.db2.gz QYPRJSCGPDGNMB-CZUORRHYSA-N 0 1 297.402 3.517 20 0 CHADMN Cc1ccn2cc(CN[C@H]3c4ccccc4C[C@H]3C)nc2c1 ZINC000268922536 1127029036 /nfs/dbraw/zinc/02/90/36/1127029036.db2.gz QQIHHKGNBRBCOS-AUUYWEPGSA-N 0 1 291.398 3.666 20 0 CHADMN C[C@H](NC[C@@](C)(O)c1ccsc1)c1c(F)cccc1F ZINC000268988766 1127031528 /nfs/dbraw/zinc/03/15/28/1127031528.db2.gz LWQARDLWXRDWFE-ZUZCIYMTSA-N 0 1 297.370 3.585 20 0 CHADMN CN(Cc1cnc(C(C)(C)C)s1)CC1=CCSC1 ZINC000668775834 1127031683 /nfs/dbraw/zinc/03/16/83/1127031683.db2.gz RESKQPZTYDDUAJ-UHFFFAOYSA-N 0 1 282.478 3.546 20 0 CHADMN Cc1nc([C@@H](C)NCCOc2ccc(Cl)cc2)cs1 ZINC000269458501 1127039293 /nfs/dbraw/zinc/03/92/93/1127039293.db2.gz XODCMEOXNVBIDK-SNVBAGLBSA-N 0 1 296.823 3.835 20 0 CHADMN Cc1ccncc1CN(Cc1cccc(F)c1)C1CC1 ZINC000269565135 1127041741 /nfs/dbraw/zinc/04/17/41/1127041741.db2.gz KGENXEAAJPGOAU-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN COc1ncc(CN[C@H](C)c2cccc(F)c2)cc1Cl ZINC000269756074 1127045377 /nfs/dbraw/zinc/04/53/77/1127045377.db2.gz FEVUQSMMKKWKKI-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN CC[C@H]1CCCN1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000487925768 1127048935 /nfs/dbraw/zinc/04/89/35/1127048935.db2.gz BIDAQOHDJNATNQ-AWEZNQCLSA-N 0 1 291.345 3.525 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1C[C@H](C)C[C@H](C)C1 ZINC000488040788 1127053475 /nfs/dbraw/zinc/05/34/75/1127053475.db2.gz GHHLHIBQOVXPGO-BETUJISGSA-N 0 1 289.398 3.673 20 0 CHADMN CC1=CC[N@@H+](Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000270375218 1127054050 /nfs/dbraw/zinc/05/40/50/1127054050.db2.gz UZUAJEAEJBHEDX-UHFFFAOYSA-N 0 1 290.432 3.612 20 0 CHADMN CC1=CCN(Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000270375218 1127054054 /nfs/dbraw/zinc/05/40/54/1127054054.db2.gz UZUAJEAEJBHEDX-UHFFFAOYSA-N 0 1 290.432 3.612 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)cc1F)c1cccc(CO)c1 ZINC000270431861 1127054399 /nfs/dbraw/zinc/05/43/99/1127054399.db2.gz IHSZQSJNODIACD-RYUDHWBXSA-N 0 1 291.341 3.869 20 0 CHADMN CC1(C(=O)Nc2cccc(Cl)c2O)CCCC1 ZINC000270409817 1127055183 /nfs/dbraw/zinc/05/51/83/1127055183.db2.gz XYHAZZZHXGHJCC-UHFFFAOYSA-N 0 1 253.729 3.564 20 0 CHADMN CCn1cc(CN[C@@H](c2ccc(F)c(F)c2)C(C)C)cn1 ZINC000270520386 1127057020 /nfs/dbraw/zinc/05/70/20/1127057020.db2.gz RDPWZRWJLLZCHG-MRXNPFEDSA-N 0 1 293.361 3.668 20 0 CHADMN CCC[C@H](C)N(C)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000270606627 1127058569 /nfs/dbraw/zinc/05/85/69/1127058569.db2.gz MSQQNQYTSMNUEC-VIFPVBQESA-N 0 1 293.436 3.634 20 0 CHADMN Cc1cccn2cc(CN(C)[C@@H]3CCc4ccccc43)nc12 ZINC000042635176 1127061112 /nfs/dbraw/zinc/06/11/12/1127061112.db2.gz YMLKFSRMSKSUJX-GOSISDBHSA-N 0 1 291.398 3.762 20 0 CHADMN C[C@H]1CSCCN(Cc2cc(Cl)ccc2F)C1 ZINC000488199950 1127062052 /nfs/dbraw/zinc/06/20/52/1127062052.db2.gz QNPCIDNXGMCOTP-SNVBAGLBSA-N 0 1 273.804 3.664 20 0 CHADMN Cc1nc(CSc2cc(Cl)ccc2Cl)n[nH]1 ZINC000488233097 1127063222 /nfs/dbraw/zinc/06/32/22/1127063222.db2.gz OSGMKZYHNPKMMH-UHFFFAOYSA-N 0 1 274.176 3.712 20 0 CHADMN CCCn1nc(C)c(CN(Cc2ccco2)C(C)C)c1C ZINC000271041852 1127065631 /nfs/dbraw/zinc/06/56/31/1127065631.db2.gz JGDJDHAYIWEXEP-UHFFFAOYSA-N 0 1 289.423 3.914 20 0 CHADMN CC[C@H](C)[C@@H](C)NC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000488267519 1127066129 /nfs/dbraw/zinc/06/61/29/1127066129.db2.gz LZAPSCJBJSMDDL-UXLLHSPISA-N 0 1 290.451 3.620 20 0 CHADMN Cc1ccc(OCCCN[C@H](C)c2cscn2)cc1 ZINC000271125028 1127069684 /nfs/dbraw/zinc/06/96/84/1127069684.db2.gz KHQZTXJLQDHILV-CYBMUJFWSA-N 0 1 276.405 3.571 20 0 CHADMN Cc1cc(N[C@H]2CCO[C@H](C)C2)c2cc(F)ccc2n1 ZINC000271216693 1127072921 /nfs/dbraw/zinc/07/29/21/1127072921.db2.gz BHCFRPSJYWZWEI-YPMHNXCESA-N 0 1 274.339 3.662 20 0 CHADMN c1csc([C@@H]2CN(Cc3cccc4cc[nH]c43)CCO2)c1 ZINC000271219720 1127073345 /nfs/dbraw/zinc/07/33/45/1127073345.db2.gz ZNFUNTNSSGYLEP-HNNXBMFYSA-N 0 1 298.411 3.803 20 0 CHADMN COCc1cc(CN[C@H](C)c2cnccc2C)ccc1F ZINC000271348064 1127076032 /nfs/dbraw/zinc/07/60/32/1127076032.db2.gz CWRCAEFSLGXXMG-CYBMUJFWSA-N 0 1 288.366 3.526 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1sc(C)nc1C ZINC000271406988 1127079050 /nfs/dbraw/zinc/07/90/50/1127079050.db2.gz OSGORBKBDGOWSR-CQSZACIVSA-N 0 1 275.421 3.738 20 0 CHADMN CCc1nc(CN(C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)cs1 ZINC000659858956 1127080002 /nfs/dbraw/zinc/08/00/02/1127080002.db2.gz VRNDWGNLACWLKS-UPJWGTAASA-N 0 1 264.438 3.574 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](C)c2oc3ccccc3c2C)n[nH]1 ZINC000271419516 1127080146 /nfs/dbraw/zinc/08/01/46/1127080146.db2.gz BSVZMBPHSLQPIX-RYUDHWBXSA-N 0 1 298.390 3.834 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000271451735 1127082710 /nfs/dbraw/zinc/08/27/10/1127082710.db2.gz GJFAXLXWDOKMRK-CHWSQXEVSA-N 0 1 286.423 3.902 20 0 CHADMN Cc1nc([C@H](C)NCCc2cccc(F)c2F)cs1 ZINC000271439659 1127082101 /nfs/dbraw/zinc/08/21/01/1127082101.db2.gz GJTYTFYNFKRGRZ-VIFPVBQESA-N 0 1 282.359 3.623 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(CC(C)C)cc2)ncn1 ZINC000271450118 1127082455 /nfs/dbraw/zinc/08/24/55/1127082455.db2.gz GBECJDAZYPWGCT-OAHLLOKOSA-N 0 1 283.419 3.834 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(F)cc1 ZINC000271449298 1127082853 /nfs/dbraw/zinc/08/28/53/1127082853.db2.gz DHCCNESQHSYWKO-CABCVRRESA-N 0 1 273.355 3.667 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@H](C)c2ccccc2Cl)n[nH]1 ZINC000271453159 1127083000 /nfs/dbraw/zinc/08/30/00/1127083000.db2.gz GKTSGNVWPASQKG-GHMZBOCLSA-N 0 1 292.814 3.993 20 0 CHADMN CCC[N@@H+](Cc1coc(C)n1)[C@@H]1CCc2ccccc21 ZINC000659859204 1127083311 /nfs/dbraw/zinc/08/33/11/1127083311.db2.gz IKJRPGSVHGCARH-QGZVFWFLSA-N 0 1 270.376 3.883 20 0 CHADMN CCCN(Cc1coc(C)n1)[C@@H]1CCc2ccccc21 ZINC000659859204 1127083315 /nfs/dbraw/zinc/08/33/15/1127083315.db2.gz IKJRPGSVHGCARH-QGZVFWFLSA-N 0 1 270.376 3.883 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccc(F)cc1)c1ccc2c(c1)CCC2 ZINC000271490673 1127085337 /nfs/dbraw/zinc/08/53/37/1127085337.db2.gz OWRYKOFIDLAUFU-BFUOFWGJSA-N 0 1 299.389 3.699 20 0 CHADMN CCc1cccc2c1OCC[C@@H]2N[C@H](C)c1ccncc1 ZINC000271490688 1127085510 /nfs/dbraw/zinc/08/55/10/1127085510.db2.gz OWVCQKYCABTKBZ-DYVFJYSZSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000271486271 1127085831 /nfs/dbraw/zinc/08/58/31/1127085831.db2.gz KGVFGKFSKRTDGW-QWHCGFSZSA-N 0 1 272.396 3.648 20 0 CHADMN Cc1cccc([C@@H](C)N[C@@H](CO)c2ccc(F)cc2)c1 ZINC000271509013 1127087368 /nfs/dbraw/zinc/08/73/68/1127087368.db2.gz RZEPYUMLVRRSCR-DYVFJYSZSA-N 0 1 273.351 3.518 20 0 CHADMN COc1ccc2oc([C@@H](C)N[C@@H](C)c3cn[nH]c3)c(C)c2c1 ZINC000271519080 1127089204 /nfs/dbraw/zinc/08/92/04/1127089204.db2.gz OEMAAQRJANIKLC-NWDGAFQWSA-N 0 1 299.374 3.885 20 0 CHADMN Cc1nc(C(C)C)sc1[C@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000271537173 1127089373 /nfs/dbraw/zinc/08/93/73/1127089373.db2.gz QJVRKMKUDKKRQR-UWVGGRQHSA-N 0 1 278.425 3.710 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)s1 ZINC000271534092 1127090157 /nfs/dbraw/zinc/09/01/57/1127090157.db2.gz PYUPWCXOEDYKKB-MNOVXSKESA-N 0 1 278.425 3.710 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](C)c2cc(C)c(C)cc2C)n[nH]1 ZINC000271543287 1127090529 /nfs/dbraw/zinc/09/05/29/1127090529.db2.gz RBADQVRJZGRAQX-UONOGXRCSA-N 0 1 286.423 3.704 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1C ZINC000271541965 1127090797 /nfs/dbraw/zinc/09/07/97/1127090797.db2.gz QYSKVIRFGQSFJQ-KBPBESRZSA-N 0 1 286.423 3.957 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](CC)c2ccc(Cl)cc2)n[nH]1 ZINC000271549212 1127090860 /nfs/dbraw/zinc/09/08/60/1127090860.db2.gz RWNLLHUIINQZLJ-GWCFXTLKSA-N 0 1 292.814 3.822 20 0 CHADMN CCC[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000271554800 1127091731 /nfs/dbraw/zinc/09/17/31/1127091731.db2.gz VPWCACDTQNGQMX-CVEARBPZSA-N 0 1 269.392 3.918 20 0 CHADMN CC[C@H](N[C@H](C)c1cn[nH]c1)c1ccccc1OC(F)F ZINC000271564946 1127092022 /nfs/dbraw/zinc/09/20/22/1127092022.db2.gz UXMGRNNMWHCHTO-MFKMUULPSA-N 0 1 295.333 3.813 20 0 CHADMN C[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(F)c(Cl)c1 ZINC000271554765 1127092354 /nfs/dbraw/zinc/09/23/54/1127092354.db2.gz VNOCZRGUDMDICP-XPTSAGLGSA-N 0 1 293.773 3.930 20 0 CHADMN Cc1cnc(CN2CCC(c3ccc(O)cc3)CC2)s1 ZINC000271609786 1127095009 /nfs/dbraw/zinc/09/50/09/1127095009.db2.gz ZUHPVQJJKKBFRV-UHFFFAOYSA-N 0 1 288.416 3.537 20 0 CHADMN Cc1noc(C)c1CN(C)C(C)(C)c1ccccc1 ZINC000671246003 1127112907 /nfs/dbraw/zinc/11/29/07/1127112907.db2.gz MVVAEBKWYWTRNO-UHFFFAOYSA-N 0 1 258.365 3.659 20 0 CHADMN CCc1nocc1CNCc1ccc2cc(OC)ccc2c1 ZINC000339175907 1127117951 /nfs/dbraw/zinc/11/79/51/1127117951.db2.gz XJIGZVWTNPFJDY-UHFFFAOYSA-N 0 1 296.370 3.689 20 0 CHADMN COC1CC(N(C)Cc2c(Cl)oc3ccccc32)C1 ZINC000348740592 1127126297 /nfs/dbraw/zinc/12/62/97/1127126297.db2.gz NYFWHTNGHMAAAJ-UHFFFAOYSA-N 0 1 279.767 3.695 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)[nH]1 ZINC000283236009 1127126396 /nfs/dbraw/zinc/12/63/96/1127126396.db2.gz TXKKDYBRUOSEKJ-DETPVDSQSA-N 0 1 297.402 3.522 20 0 CHADMN COC[C@@H](NCCSC1CCCCC1)c1ccco1 ZINC000283446980 1127138013 /nfs/dbraw/zinc/13/80/13/1127138013.db2.gz XXAWXQYEZCNMAM-CQSZACIVSA-N 0 1 283.437 3.623 20 0 CHADMN CCN(Cc1ccncc1)Cc1cccc2c1OC(C)(C)C2 ZINC000348923121 1127134445 /nfs/dbraw/zinc/13/44/45/1127134445.db2.gz SIGXLEKWWNFASG-UHFFFAOYSA-N 0 1 296.414 3.817 20 0 CHADMN CCCCCn1cc(CN[C@H](C)c2ccncc2)c(C)n1 ZINC000348951806 1127135381 /nfs/dbraw/zinc/13/53/81/1127135381.db2.gz WPJQZSYCNOITDU-CQSZACIVSA-N 0 1 286.423 3.628 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@H](CO)c2ccsc2)c1 ZINC000349316273 1127146120 /nfs/dbraw/zinc/14/61/20/1127146120.db2.gz WJYLXVFXUVSUGS-CZUORRHYSA-N 0 1 275.417 3.749 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](CO)c2ccsc2)cc1C ZINC000349378034 1127149091 /nfs/dbraw/zinc/14/90/91/1127149091.db2.gz KJYNWJBSLJHSQS-CZUORRHYSA-N 0 1 275.417 3.749 20 0 CHADMN CC(C)c1ncc(CN2CCC[C@H]2c2cccn2C)s1 ZINC000349519856 1127153448 /nfs/dbraw/zinc/15/34/48/1127153448.db2.gz GIBJYHMIQKAVBG-HNNXBMFYSA-N 0 1 289.448 3.942 20 0 CHADMN Cc1ccsc1CN(C)Cc1c(C)nc2sccn12 ZINC000349579510 1127154673 /nfs/dbraw/zinc/15/46/73/1127154673.db2.gz VMZQJDJHGZFJFE-UHFFFAOYSA-N 0 1 291.445 3.706 20 0 CHADMN Fc1ccc(C(F)(F)F)cc1CN[C@H]1C[C@@H]1C(F)F ZINC000570935363 1127149883 /nfs/dbraw/zinc/14/98/83/1127149883.db2.gz KZTOOWPTYCZXJO-WPRPVWTQSA-N 0 1 283.215 3.588 20 0 CHADMN Cc1cc(Cl)nc(CN[C@H]2CCc3c2cccc3F)c1 ZINC000283654423 1127150083 /nfs/dbraw/zinc/15/00/83/1127150083.db2.gz XCUOVORIBUQVHS-HNNXBMFYSA-N 0 1 290.769 3.960 20 0 CHADMN Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)n[nH]1 ZINC000349408354 1127150606 /nfs/dbraw/zinc/15/06/06/1127150606.db2.gz PQIIHCSTYWIXRB-DYVFJYSZSA-N 0 1 297.402 3.640 20 0 CHADMN Cc1ccc([C@H](NCc2cccc3c2OCO3)C2CCC2)o1 ZINC000349454736 1127151069 /nfs/dbraw/zinc/15/10/69/1127151069.db2.gz PYAKDISTDHVNHD-QGZVFWFLSA-N 0 1 299.370 3.948 20 0 CHADMN Clc1cnc(CNCC2(Cc3ccccc3)CC2)s1 ZINC000349608814 1127155220 /nfs/dbraw/zinc/15/52/20/1127155220.db2.gz HKRKFHIGYJUFDK-UHFFFAOYSA-N 0 1 292.835 3.909 20 0 CHADMN CC[C@@H](C)N(C)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000466799533 1127155741 /nfs/dbraw/zinc/15/57/41/1127155741.db2.gz GWJMSGCPGWLUNE-GFCCVEGCSA-N 0 1 277.799 3.756 20 0 CHADMN COc1cccc(CCCNCc2ncc(Cl)s2)c1 ZINC000349673872 1127157549 /nfs/dbraw/zinc/15/75/49/1127157549.db2.gz WISXMMRVGIKHCP-UHFFFAOYSA-N 0 1 296.823 3.528 20 0 CHADMN Cc1[nH]nc2ncc(CN(C)[C@@H](C)c3ccc(F)cc3)cc12 ZINC000349730316 1127159439 /nfs/dbraw/zinc/15/94/39/1127159439.db2.gz PLXHUEPXMKXWAR-LBPRGKRZSA-N 0 1 298.365 3.598 20 0 CHADMN Fc1ccc([C@H]2CCCN2Cc2cnn3ccccc23)cc1 ZINC000349970880 1127169173 /nfs/dbraw/zinc/16/91/73/1127169173.db2.gz JJEHEXPODZRFQJ-QGZVFWFLSA-N 0 1 295.361 3.811 20 0 CHADMN Cc1cc([C@@H](C)NCCCCOCc2ccccc2)no1 ZINC000284117987 1127175346 /nfs/dbraw/zinc/17/53/46/1127175346.db2.gz NPMQCZDLAPYYPK-OAHLLOKOSA-N 0 1 288.391 3.631 20 0 CHADMN COCC[C@H](NCc1ccc(C)cc1)c1ccc(C)o1 ZINC000350284959 1127175917 /nfs/dbraw/zinc/17/59/17/1127175917.db2.gz DHXPMAAQMOYNKX-INIZCTEOSA-N 0 1 273.376 3.764 20 0 CHADMN CCN(CCCN[C@H](C)c1cc(C)on1)c1ccccc1 ZINC000284217885 1127178305 /nfs/dbraw/zinc/17/83/05/1127178305.db2.gz TVKLOZOKWTYTGB-OAHLLOKOSA-N 0 1 287.407 3.550 20 0 CHADMN COc1ncc([C@H](C)NCc2cccc(F)c2)cc1Cl ZINC000284198612 1127178415 /nfs/dbraw/zinc/17/84/15/1127178415.db2.gz GLQHZELMLLYDEX-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN CC(C)(C)c1ncc(CNCc2coc3ccccc23)cn1 ZINC000284201082 1127178564 /nfs/dbraw/zinc/17/85/64/1127178564.db2.gz BTTYVHBHTXYVOS-UHFFFAOYSA-N 0 1 295.386 3.810 20 0 CHADMN Cc1ncc(CN2C[C@H](C)C[C@@H](C)C2)cc1Br ZINC001237561380 1131113659 /nfs/dbraw/zinc/11/36/59/1131113659.db2.gz LJKPCJSAANAHFJ-GHMZBOCLSA-N 0 1 297.240 3.630 20 0 CHADMN Cc1c(CN(C)[C@@H](C)c2ccc(F)c(Cl)c2)cnn1C ZINC000571865679 1127178931 /nfs/dbraw/zinc/17/89/31/1127178931.db2.gz MEUGGQZYRJKLGP-JTQLQIEISA-N 0 1 295.789 3.714 20 0 CHADMN Cc1ccc(CNC2(c3ccc(F)cc3)CCC2)o1 ZINC000588179153 1127181231 /nfs/dbraw/zinc/18/12/31/1127181231.db2.gz HDBVPSGWIZPPRY-UHFFFAOYSA-N 0 1 259.324 3.896 20 0 CHADMN Cc1nc(SCCOCC(F)F)[nH]c1-c1ccccc1 ZINC000284390255 1127182232 /nfs/dbraw/zinc/18/22/32/1127182232.db2.gz YWIQVVIBLXEWQZ-UHFFFAOYSA-N 0 1 298.358 3.759 20 0 CHADMN CCN(CCOc1cccc(Cl)c1)Cc1ccoc1 ZINC000588236090 1127182971 /nfs/dbraw/zinc/18/29/71/1127182971.db2.gz BNBPWCJSQAYRBO-UHFFFAOYSA-N 0 1 279.767 3.834 20 0 CHADMN C[C@@H]1CCC[C@@H](CCN2CCC[C@@H]2c2ncc[nH]2)C1 ZINC000351023468 1127183495 /nfs/dbraw/zinc/18/34/95/1127183495.db2.gz AEXHQSGDOGVRJD-QLFBSQMISA-N 0 1 261.413 3.763 20 0 CHADMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1cc(C)no1 ZINC000351144874 1127185450 /nfs/dbraw/zinc/18/54/50/1127185450.db2.gz MYLBFEVFYCJKPU-ABAIWWIYSA-N 0 1 294.782 3.502 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN(C)CCC(=O)OC(C)(C)C)o1 ZINC000351566496 1127194225 /nfs/dbraw/zinc/19/42/25/1127194225.db2.gz DHDRYCAOFBJMOF-JSGCOSHPSA-N 0 1 293.407 3.567 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN(C)CCC(=O)OC(C)(C)C)o1 ZINC000351566500 1127194456 /nfs/dbraw/zinc/19/44/56/1127194456.db2.gz DHDRYCAOFBJMOF-TZMCWYRMSA-N 0 1 293.407 3.567 20 0 CHADMN CSc1ccc(CNc2nccn2CC(C)C)cc1 ZINC000351571255 1127194596 /nfs/dbraw/zinc/19/45/96/1127194596.db2.gz WIDGSIJXGCYYLQ-UHFFFAOYSA-N 0 1 275.421 3.873 20 0 CHADMN Oc1ccc2c(c1)CC[N@H+](Cc1cccc(Cl)c1)CC2 ZINC000588754518 1127195629 /nfs/dbraw/zinc/19/56/29/1127195629.db2.gz ZCRZBUXOMJZJIU-UHFFFAOYSA-N 0 1 287.790 3.646 20 0 CHADMN CCc1nocc1CN(CCc1cccc(F)c1)C1CC1 ZINC000351604735 1127196956 /nfs/dbraw/zinc/19/69/56/1127196956.db2.gz VTVYGWRNBLSRRT-UHFFFAOYSA-N 0 1 288.366 3.583 20 0 CHADMN Cc1ccccc1Cc1nnc(CN2CCCCC[C@@H]2C)o1 ZINC000351600926 1127197223 /nfs/dbraw/zinc/19/72/23/1127197223.db2.gz ZJJATZZQSIYZTI-HNNXBMFYSA-N 0 1 299.418 3.733 20 0 CHADMN Clc1ccc(CN2CCC[C@@H]2[C@H]2CCCO2)s1 ZINC000284732673 1127201646 /nfs/dbraw/zinc/20/16/46/1127201646.db2.gz KLHZTHSGADUGAL-VXGBXAGGSA-N 0 1 271.813 3.545 20 0 CHADMN Cc1sccc1CN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000351657986 1127202415 /nfs/dbraw/zinc/20/24/15/1127202415.db2.gz FSGGYVLXZIWTPW-SFHVURJKSA-N 0 1 299.439 3.730 20 0 CHADMN CC(C)CN(C(=O)CN(C)CC(C)(C)C)c1ccccc1 ZINC000588902625 1127204271 /nfs/dbraw/zinc/20/42/71/1127204271.db2.gz XJTGJYINSRABAT-UHFFFAOYSA-N 0 1 290.451 3.654 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCC(C)(C)CC3)n[nH]2)cc1 ZINC000588885443 1127205145 /nfs/dbraw/zinc/20/51/45/1127205145.db2.gz IVLMGAVEFZSQDP-UHFFFAOYSA-N 0 1 297.402 3.647 20 0 CHADMN C[C@@H]1CCC[C@@H](N[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000284816698 1127207329 /nfs/dbraw/zinc/20/73/29/1127207329.db2.gz LJFJTWKSIDOBGX-BMFZPTHFSA-N 0 1 269.392 3.667 20 0 CHADMN Cc1cc([C@@H](C)NCCCOc2cccc(C)c2C)no1 ZINC000284915052 1127212062 /nfs/dbraw/zinc/21/20/62/1127212062.db2.gz CUTVHTYORWFMGP-OAHLLOKOSA-N 0 1 288.391 3.720 20 0 CHADMN C[C@@H](F)CCN1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000351879180 1127213290 /nfs/dbraw/zinc/21/32/90/1127213290.db2.gz HKZGAJKFHXGKSQ-ZJUUUORDSA-N 0 1 257.299 3.632 20 0 CHADMN CCc1ncc(CN2CCC(OCCC(C)C)CC2)s1 ZINC000352336991 1127225357 /nfs/dbraw/zinc/22/53/57/1127225357.db2.gz CASCSSWMWOMKBV-UHFFFAOYSA-N 0 1 296.480 3.733 20 0 CHADMN CC(C)Sc1ccc(C[N@H+]2CCC[C@H]2CC(=O)[O-])cc1 ZINC000572609211 1127221281 /nfs/dbraw/zinc/22/12/81/1127221281.db2.gz GEYMMVCUPFTINH-AWEZNQCLSA-N 0 1 293.432 3.626 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1cccc(Cl)c1 ZINC000285429471 1127227922 /nfs/dbraw/zinc/22/79/22/1127227922.db2.gz HGRAIAITKSZPAQ-UHFFFAOYSA-N 0 1 278.783 3.970 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000352397970 1127228606 /nfs/dbraw/zinc/22/86/06/1127228606.db2.gz NCXQRRVHZCMDPG-XHDPSFHLSA-N 0 1 293.773 3.684 20 0 CHADMN c1cc(CN2CCO[C@H]3CCC[C@@H]32)cc(-c2ccncc2)c1 ZINC000352388639 1127228767 /nfs/dbraw/zinc/22/87/67/1127228767.db2.gz SZDZJCRBMIYVKH-OALUTQOASA-N 0 1 294.398 3.502 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000352406229 1127229198 /nfs/dbraw/zinc/22/91/98/1127229198.db2.gz CUSTUXFMFZLWAJ-LLVKDONJSA-N 0 1 291.395 3.957 20 0 CHADMN C/C(=C\c1nc(C2(N)CCC2)no1)c1ccccc1Cl ZINC000572878482 1127229384 /nfs/dbraw/zinc/22/93/84/1127229384.db2.gz JUHJKDJIQMDMEX-MDZDMXLPSA-N 0 1 289.766 3.621 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1ccc(Cl)cc1 ZINC000285460187 1127229450 /nfs/dbraw/zinc/22/94/50/1127229450.db2.gz JRTUBNRNEMDPRP-UHFFFAOYSA-N 0 1 278.783 3.970 20 0 CHADMN CC[C@@H]1CCCCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000352406227 1127229520 /nfs/dbraw/zinc/22/95/20/1127229520.db2.gz CULVCEIIKQLSPL-CQSZACIVSA-N 0 1 285.391 3.666 20 0 CHADMN CC[C@H](C)[N@@H+](CCCCc1cccc(Cl)c1)CC(=O)[O-] ZINC000622002103 1129217681 /nfs/dbraw/zinc/21/76/81/1129217681.db2.gz VKMAGBALBKTDSW-ZDUSSCGKSA-N 0 1 297.826 3.848 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000352425156 1127231075 /nfs/dbraw/zinc/23/10/75/1127231075.db2.gz XSXGZUUXCBYSBW-XOKHGSTOSA-N 0 1 289.394 3.920 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNCc2[nH]nc3ccccc32)o1 ZINC000589643296 1127232399 /nfs/dbraw/zinc/23/23/99/1127232399.db2.gz SJONPMMSLQERHI-FZMZJTMJSA-N 0 1 281.359 3.569 20 0 CHADMN c1c2ccccc2oc1CNCc1n[nH]c2ccccc12 ZINC000589644661 1127232451 /nfs/dbraw/zinc/23/24/51/1127232451.db2.gz PTGOYAKXBTVMDZ-UHFFFAOYSA-N 0 1 277.327 3.599 20 0 CHADMN c1c2ccccc2oc1CNCc1[nH]nc2ccccc21 ZINC000589644661 1127232453 /nfs/dbraw/zinc/23/24/53/1127232453.db2.gz PTGOYAKXBTVMDZ-UHFFFAOYSA-N 0 1 277.327 3.599 20 0 CHADMN CCc1c2ccccc2oc1[C@H](C)NCc1cc(C)[nH]n1 ZINC000589649370 1127233107 /nfs/dbraw/zinc/23/31/07/1127233107.db2.gz JPGUNVQCPCMBRG-LBPRGKRZSA-N 0 1 283.375 3.878 20 0 CHADMN CCc1c2ccccc2oc1[C@H](C)NCc1cc(C)n[nH]1 ZINC000589649370 1127233111 /nfs/dbraw/zinc/23/31/11/1127233111.db2.gz JPGUNVQCPCMBRG-LBPRGKRZSA-N 0 1 283.375 3.878 20 0 CHADMN Fc1cccc(Cl)c1CNCc1ccc2nc[nH]c2c1 ZINC000589647211 1127233271 /nfs/dbraw/zinc/23/32/71/1127233271.db2.gz NBVBPINUHNCSBM-UHFFFAOYSA-N 0 1 289.741 3.645 20 0 CHADMN Cc1noc([C@H]2CCCN2Cc2cccc3ccccc32)n1 ZINC000285567454 1127237673 /nfs/dbraw/zinc/23/76/73/1127237673.db2.gz HRLPFUFLUYILEY-QGZVFWFLSA-N 0 1 293.370 3.868 20 0 CHADMN CSC[C@@H]1CCCN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC000589881404 1127237988 /nfs/dbraw/zinc/23/79/88/1127237988.db2.gz WBVKUBMSNSCBMD-GFCCVEGCSA-N 0 1 288.416 3.520 20 0 CHADMN C[C@H](N[C@H]1C=CCC1)c1ccccc1Br ZINC000698247216 1127238219 /nfs/dbraw/zinc/23/82/19/1127238219.db2.gz FRDNQUUSVKNJIN-QWRGUYRKSA-N 0 1 266.182 3.818 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCC1=Cc2ccccc2OC1 ZINC000285575391 1127238244 /nfs/dbraw/zinc/23/82/44/1127238244.db2.gz USDVXOZQSPBZDR-UHFFFAOYSA-N 0 1 298.386 3.592 20 0 CHADMN C[C@@H](N[C@H]1C=CCC1)c1ccccc1Br ZINC000698247214 1127238430 /nfs/dbraw/zinc/23/84/30/1127238430.db2.gz FRDNQUUSVKNJIN-MNOVXSKESA-N 0 1 266.182 3.818 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)C1(Cc2ccccc2)CC1 ZINC000352628721 1127240641 /nfs/dbraw/zinc/24/06/41/1127240641.db2.gz BOUDXQHKNRPSQO-UHFFFAOYSA-N 0 1 291.354 3.524 20 0 CHADMN Cc1cnc(CN2C[C@H](C)CC[C@@H]2c2ccccc2)o1 ZINC000285702109 1127240774 /nfs/dbraw/zinc/24/07/74/1127240774.db2.gz VYTFTXQENHPMCH-CZUORRHYSA-N 0 1 270.376 3.956 20 0 CHADMN CC[C@H]1CCCN1Cc1cc(Br)ccc1F ZINC000590062558 1127247526 /nfs/dbraw/zinc/24/75/26/1127247526.db2.gz QDNLJLGDYJWSIK-LBPRGKRZSA-N 0 1 286.188 3.963 20 0 CHADMN CC[C@H]1CCCN1Cc1csc(C(C)(C)C)n1 ZINC000590062467 1127247967 /nfs/dbraw/zinc/24/79/67/1127247967.db2.gz AJHCGLBUVXGDIN-LBPRGKRZSA-N 0 1 252.427 3.815 20 0 CHADMN CCn1cc(CN[C@@H](CCC(C)C)c2ccoc2)cn1 ZINC000286007016 1127252924 /nfs/dbraw/zinc/25/29/24/1127252924.db2.gz HXTGCGHZRKPEJE-INIZCTEOSA-N 0 1 275.396 3.763 20 0 CHADMN Cc1ccc(Cl)c(CN2CC[C@@H](C)[C@@](C)(O)CC2)c1F ZINC001138030535 1131161762 /nfs/dbraw/zinc/16/17/62/1131161762.db2.gz JHFKPSNAPRHGMJ-WBMJQRKESA-N 0 1 299.817 3.770 20 0 CHADMN CCN(CCC1CC1)Cc1ncc(CSC)s1 ZINC000352957981 1127254391 /nfs/dbraw/zinc/25/43/91/1127254391.db2.gz WUBCAYNNMLRVBV-UHFFFAOYSA-N 0 1 270.467 3.628 20 0 CHADMN CC[C@@H](NCc1cn2ccsc2n1)c1cccc(C)c1 ZINC000286114518 1127259810 /nfs/dbraw/zinc/25/98/10/1127259810.db2.gz NVLPNSRMMMRRQJ-OAHLLOKOSA-N 0 1 285.416 3.945 20 0 CHADMN CC[C@H](N[C@H](CCO)c1ccco1)c1cccc(C)c1 ZINC000286174726 1127261973 /nfs/dbraw/zinc/26/19/73/1127261973.db2.gz QBDAZJTZRLZMOH-JKSUJKDBSA-N 0 1 273.376 3.752 20 0 CHADMN Cc1cc2cc(CNCc3ccccc3F)ccc2[nH]1 ZINC000353144788 1127262855 /nfs/dbraw/zinc/26/28/55/1127262855.db2.gz VQGGPOCIBZEQPR-UHFFFAOYSA-N 0 1 268.335 3.905 20 0 CHADMN C[C@H]1CSCCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000286220352 1127263082 /nfs/dbraw/zinc/26/30/82/1127263082.db2.gz QWBYGZMLPVPHID-CYBMUJFWSA-N 0 1 288.416 3.527 20 0 CHADMN COc1ccsc1CN[C@H]1CCOc2c(C)cccc21 ZINC000353206997 1127264191 /nfs/dbraw/zinc/26/41/91/1127264191.db2.gz HRYOKCDHLORVIG-ZDUSSCGKSA-N 0 1 289.400 3.679 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CCCCF)[C@@H](C)CO1 ZINC000286332284 1127265561 /nfs/dbraw/zinc/26/55/61/1127265561.db2.gz IFCXTBSACWXQDA-HOCLYGCPSA-N 0 1 265.372 3.507 20 0 CHADMN CO[C@H]1CCCN(Cc2cc(C)c(Cl)c(C)c2)C1 ZINC001238088668 1131169484 /nfs/dbraw/zinc/16/94/84/1131169484.db2.gz JBZWCPKVXWEACU-AWEZNQCLSA-N 0 1 267.800 3.568 20 0 CHADMN CC(C)Sc1cccc(Cl)c1CN1CC[C@](C)(O)C1 ZINC000353652696 1127271866 /nfs/dbraw/zinc/27/18/66/1127271866.db2.gz FPIQRLRKFOTEKG-HNNXBMFYSA-N 0 1 299.867 3.797 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](CN(C)C)c2ccc(F)cc2)o1 ZINC000286912790 1127276060 /nfs/dbraw/zinc/27/60/60/1127276060.db2.gz FCLXCLJWQJRRMZ-CZUORRHYSA-N 0 1 290.382 3.681 20 0 CHADMN C[C@@H]1CC[C@@H](C(=O)Nc2cc(F)cc(Cl)c2O)C1 ZINC000353894100 1127276498 /nfs/dbraw/zinc/27/64/98/1127276498.db2.gz MEWJLSHBOVOJHN-HTQZYQBOSA-N 0 1 271.719 3.559 20 0 CHADMN Cc1ncccc1CN[C@H](C)c1ccccc1OC(F)F ZINC000590880805 1127277215 /nfs/dbraw/zinc/27/72/15/1127277215.db2.gz IOHRKOMPKDPEDJ-GFCCVEGCSA-N 0 1 292.329 3.842 20 0 CHADMN C[C@H](C(=O)Nc1cc(Cl)c(O)cc1F)C(C)(C)C ZINC000286972904 1127277779 /nfs/dbraw/zinc/27/77/79/1127277779.db2.gz RERLTXXVLLXSTN-SSDOTTSWSA-N 0 1 273.735 3.805 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccc(Cl)cc1)c1cncs1 ZINC000287072064 1127285585 /nfs/dbraw/zinc/28/55/85/1127285585.db2.gz OEMJLVLUHVCXQN-GXFFZTMASA-N 0 1 296.823 3.571 20 0 CHADMN CSCc1cc(F)ccc1CNCc1cnccc1C ZINC000353942483 1127280875 /nfs/dbraw/zinc/28/08/75/1127280875.db2.gz GBWKWIHJKDSOGD-UHFFFAOYSA-N 0 1 290.407 3.682 20 0 CHADMN CCn1cc(CN[C@H](c2ccc(C)o2)C2CCCC2)cn1 ZINC000353973481 1127282194 /nfs/dbraw/zinc/28/21/94/1127282194.db2.gz QGAAJPQXGOEMNM-KRWDZBQOSA-N 0 1 287.407 3.826 20 0 CHADMN CC[C@@H](NCc1cnn(CC)c1)c1ccc(Cl)s1 ZINC000353969447 1127282749 /nfs/dbraw/zinc/28/27/49/1127282749.db2.gz AIYARCGBYFXVNY-LLVKDONJSA-N 0 1 283.828 3.859 20 0 CHADMN C=Cn1cc(CN2CC[C@@H](c3cccc(Cl)c3)C2)cn1 ZINC000354011874 1127284543 /nfs/dbraw/zinc/28/45/43/1127284543.db2.gz WIUHMSRVAFQBNR-OAHLLOKOSA-N 0 1 287.794 3.627 20 0 CHADMN CCC(C)(C)[C@@H]1CCCN1Cc1csc(COC)n1 ZINC000354008102 1127285007 /nfs/dbraw/zinc/28/50/07/1127285007.db2.gz BIZIEMNOBIQGDA-ZDUSSCGKSA-N 0 1 282.453 3.690 20 0 CHADMN Cc1ccccc1-c1noc(CN2[C@@H](C)CCC[C@@H]2C)n1 ZINC000591083511 1127285046 /nfs/dbraw/zinc/28/50/46/1127285046.db2.gz XPAFGWNTKJWMTC-KBPBESRZSA-N 0 1 285.391 3.808 20 0 CHADMN CCc1ncc(CN2C[C@@H](C)[C@H]2c2ccccc2)s1 ZINC000354043586 1127288439 /nfs/dbraw/zinc/28/84/39/1127288439.db2.gz ADYKMJNHPKEQPO-WBMJQRKESA-N 0 1 272.417 3.899 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccc(Cl)cc1)c1ccncc1 ZINC000287206103 1127296756 /nfs/dbraw/zinc/29/67/56/1127296756.db2.gz WPCBALPWGNIOMS-WBMJQRKESA-N 0 1 290.794 3.509 20 0 CHADMN CC(C)[C@@H]1CC[C@@H]1N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000573167624 1127298120 /nfs/dbraw/zinc/29/81/20/1127298120.db2.gz RHCJCFSAFILGIL-BPUTZDHNSA-N 0 1 299.418 3.746 20 0 CHADMN Cc1cc(Cl)c(Cl)cc1CN1CCC[C@H](CO)C1 ZINC001238261329 1131187304 /nfs/dbraw/zinc/18/73/04/1131187304.db2.gz BHRAWTNQHYDZDF-NSHDSACASA-N 0 1 288.218 3.506 20 0 CHADMN CCc1cccc(N[C@@H](c2nnc[nH]2)c2ccc(F)cc2)c1 ZINC000573271739 1127305119 /nfs/dbraw/zinc/30/51/19/1127305119.db2.gz YWHRBEWOUMODLH-MRXNPFEDSA-N 0 1 296.349 3.708 20 0 CHADMN CCOC1CC(C[N@H+]2CCCn3c(cc4ccccc43)C2)C1 ZINC000287473777 1127306880 /nfs/dbraw/zinc/30/68/80/1127306880.db2.gz UMSDEWPNJWGDOJ-UHFFFAOYSA-N 0 1 298.430 3.662 20 0 CHADMN CCOC1CC(CN2CCCn3c(cc4ccccc43)C2)C1 ZINC000287473777 1127306884 /nfs/dbraw/zinc/30/68/84/1127306884.db2.gz UMSDEWPNJWGDOJ-UHFFFAOYSA-N 0 1 298.430 3.662 20 0 CHADMN C[C@@H]1COCC[C@H]1CN[C@H](CCc1ccccc1)C(F)F ZINC000287483445 1127307742 /nfs/dbraw/zinc/30/77/42/1127307742.db2.gz MXLLBPGCFAXKCL-VNQPRFMTSA-N 0 1 297.389 3.515 20 0 CHADMN C[C@H](Nc1cc2c(cn1)CCC2)C1CCSCC1 ZINC000354550919 1127311031 /nfs/dbraw/zinc/31/10/31/1127311031.db2.gz YYKLNEKPQDYICV-NSHDSACASA-N 0 1 262.422 3.514 20 0 CHADMN C[C@H]1C[C@H](NCc2nn(C)c3ccccc23)c2ccccc21 ZINC000591720287 1127313115 /nfs/dbraw/zinc/31/31/15/1127313115.db2.gz ULPAONXLXCAFRC-GUYCJALGSA-N 0 1 291.398 3.911 20 0 CHADMN Fc1ccc(F)c(CNCc2ccc3cccnc3c2)c1 ZINC000591725023 1127314530 /nfs/dbraw/zinc/31/45/30/1127314530.db2.gz JQYQWMNBOVMDTJ-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN CO[C@@H](C)c1nc(CN(C)C[C@@H]2CC=CCC2)cs1 ZINC000355124233 1127318719 /nfs/dbraw/zinc/31/87/19/1127318719.db2.gz BTWRDGVUCXWCGA-QWHCGFSZSA-N 0 1 280.437 3.639 20 0 CHADMN CCO[C@H](C)c1nc(CN2CC[C@H]3CCC[C@H]32)cs1 ZINC000355157488 1127321566 /nfs/dbraw/zinc/32/15/66/1127321566.db2.gz BVSAJUSHHJYHIB-YRGRVCCFSA-N 0 1 280.437 3.615 20 0 CHADMN CN(CC1CCCC1)Cn1c2ccccc2n(C)c1=S ZINC000058207572 1127322829 /nfs/dbraw/zinc/32/28/29/1127322829.db2.gz IVYLEDWLAAGVED-UHFFFAOYSA-N 0 1 289.448 3.789 20 0 CHADMN CC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]cn2)CC1 ZINC000355199234 1127323922 /nfs/dbraw/zinc/32/39/22/1127323922.db2.gz LIIQJBOGJCQEMP-UHFFFAOYSA-N 0 1 289.810 3.617 20 0 CHADMN CN(Cc1nc2ccccc2n1C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000355208289 1127324812 /nfs/dbraw/zinc/32/48/12/1127324812.db2.gz OZQOZZZEOYEXPP-CRAIPNDOSA-N 0 1 291.398 3.561 20 0 CHADMN Cc1cccc(Cl)c1C[N@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000573689553 1127328401 /nfs/dbraw/zinc/32/84/01/1127328401.db2.gz OVYMIYORLMNZLR-CQSZACIVSA-N 0 1 283.799 3.580 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H](CO)CC2CCCCC2)c(C)s1 ZINC000669430001 1127330216 /nfs/dbraw/zinc/33/02/16/1127330216.db2.gz DSUOGTPLQZTRPY-IAQYHMDHSA-N 0 1 296.480 3.742 20 0 CHADMN O=C([O-])[C@H](CC[N@H+]1CCC[C@H]1C1CCC1)c1ccccc1 ZINC000573927522 1127331596 /nfs/dbraw/zinc/33/15/96/1127331596.db2.gz OKDHSCHAGAMXIH-SJORKVTESA-N 0 1 287.403 3.509 20 0 CHADMN O=C([O-])[C@H](CC[N@H+]1CCC[C@@H]1C1CCC1)c1ccccc1 ZINC000573927520 1127331787 /nfs/dbraw/zinc/33/17/87/1127331787.db2.gz OKDHSCHAGAMXIH-IAGOWNOFSA-N 0 1 287.403 3.509 20 0 CHADMN CO[C@H](C)c1nc(CN2CCC[C@H]2C(C)(C)C)cs1 ZINC000355331672 1127334222 /nfs/dbraw/zinc/33/42/22/1127334222.db2.gz MAZNYYGCEWKQPV-YPMHNXCESA-N 0 1 282.453 3.861 20 0 CHADMN CCN(CCSC)Cc1nc(-c2ccccc2)oc1C ZINC000592198072 1127339489 /nfs/dbraw/zinc/33/94/89/1127339489.db2.gz IECLGXRCASEWKC-UHFFFAOYSA-N 0 1 290.432 3.835 20 0 CHADMN CCCCCCN1CCO[C@@H](c2cccs2)C1 ZINC000760955114 1127341444 /nfs/dbraw/zinc/34/14/44/1127341444.db2.gz GILHZUYLVLKCDI-CYBMUJFWSA-N 0 1 253.411 3.702 20 0 CHADMN COC[C@H](NCc1ccccc1)c1cccc(Cl)c1 ZINC000288474197 1127341529 /nfs/dbraw/zinc/34/15/29/1127341529.db2.gz FYRBCDLKNJQQGG-INIZCTEOSA-N 0 1 275.779 3.817 20 0 CHADMN Fc1ccc(SCCN2Cc3ccccc3C2)cc1 ZINC000592317604 1127341967 /nfs/dbraw/zinc/34/19/67/1127341967.db2.gz KXUVGZPIDSAZPF-UHFFFAOYSA-N 0 1 273.376 3.934 20 0 CHADMN Cc1ccncc1CN(C)C/C=C/c1ccc(F)cc1 ZINC000355586061 1127351665 /nfs/dbraw/zinc/35/16/65/1127351665.db2.gz RLMKRXKPUKJYPH-ONEGZZNKSA-N 0 1 270.351 3.674 20 0 CHADMN Cc1cccc2nc(CNC(=O)[C@H]3C[C@H](C)C[C@H](C)C3)[nH]c21 ZINC000355595014 1127352812 /nfs/dbraw/zinc/35/28/12/1127352812.db2.gz FLRUZOLDBZPEHC-IMRBUKKESA-N 0 1 299.418 3.560 20 0 CHADMN Cc1ccc(CN(C)Cc2cnccc2C)cc1Cl ZINC000355599677 1127354059 /nfs/dbraw/zinc/35/40/59/1127354059.db2.gz CYXLPWCQBGWIEX-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1nccc(N2CCOc3ccc(F)cc3C2)c1Cl ZINC000355677902 1127357702 /nfs/dbraw/zinc/35/77/02/1127357702.db2.gz YGQZERPSMWAKSF-UHFFFAOYSA-N 0 1 292.741 3.582 20 0 CHADMN Cc1nccc(N2CC3(CCC3)C[C@H]2C)c1Cl ZINC000355680512 1127358844 /nfs/dbraw/zinc/35/88/44/1127358844.db2.gz ILROUHMHEONGMY-SNVBAGLBSA-N 0 1 250.773 3.812 20 0 CHADMN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2noc(-c3ccccc3)n2)C1 ZINC000355778982 1127364069 /nfs/dbraw/zinc/36/40/69/1127364069.db2.gz GAYZGHQNUNOSOT-RDBSUJKOSA-N 0 1 285.391 3.603 20 0 CHADMN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2csc(N(C)C3CC3)n2)C1 ZINC000355733445 1127361230 /nfs/dbraw/zinc/36/12/30/1127361230.db2.gz LDEWFBNVANIUJH-AGIUHOORSA-N 0 1 293.480 3.608 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC[C@]2(CCCOC2)C1 ZINC000355743263 1127362940 /nfs/dbraw/zinc/36/29/40/1127362940.db2.gz MBORGYAJFOONDA-DYVFJYSZSA-N 0 1 295.373 3.918 20 0 CHADMN CCCC[C@H](CC)CNC(=O)c1cc2[nH]cnc2cc1F ZINC000574184202 1127372279 /nfs/dbraw/zinc/37/22/79/1127372279.db2.gz SZVASSXZZQTEJJ-NSHDSACASA-N 0 1 291.370 3.648 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2c(C)cnn2C)o1 ZINC000289198618 1127376477 /nfs/dbraw/zinc/37/64/77/1127376477.db2.gz HLHJJGGNXRHBIF-IUODEOHRSA-N 0 1 287.407 3.603 20 0 CHADMN Fc1cccc(CN2CCC(F)(c3ccccn3)CC2)c1 ZINC000289339766 1127382123 /nfs/dbraw/zinc/38/21/23/1127382123.db2.gz LTNHNRGXWQOYOH-UHFFFAOYSA-N 0 1 288.341 3.682 20 0 CHADMN Cc1ccn2cc(CN[C@H]3C[C@@H](C)c4ccccc43)nc2c1 ZINC000289345834 1127382027 /nfs/dbraw/zinc/38/20/27/1127382027.db2.gz XLXZOXPWWVMDNO-KDOFPFPSSA-N 0 1 291.398 3.981 20 0 CHADMN O=C1[C@H]2CCCCC2=NN1c1ccccc1C(F)(F)F ZINC000629942709 1127383213 /nfs/dbraw/zinc/38/32/13/1127383213.db2.gz POYYDRILNYVCIH-VIFPVBQESA-N 0 1 282.265 3.598 20 0 CHADMN O=c1c2c([nH]n1-c1ccccc1C(F)(F)F)CCCC2 ZINC000629942709 1127383216 /nfs/dbraw/zinc/38/32/16/1127383216.db2.gz POYYDRILNYVCIH-VIFPVBQESA-N 0 1 282.265 3.598 20 0 CHADMN O=C1[C@@H]2CCCCC2=NN1c1ccccc1C(F)(F)F ZINC000629942708 1127383574 /nfs/dbraw/zinc/38/35/74/1127383574.db2.gz POYYDRILNYVCIH-SECBINFHSA-N 0 1 282.265 3.598 20 0 CHADMN O=c1c2c([nH]n1-c1ccccc1C(F)(F)F)CCCC2 ZINC000629942708 1127383577 /nfs/dbraw/zinc/38/35/77/1127383577.db2.gz POYYDRILNYVCIH-SECBINFHSA-N 0 1 282.265 3.598 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C)CC2)c(F)c1 ZINC000357391374 1127390287 /nfs/dbraw/zinc/39/02/87/1127390287.db2.gz ORRZVSOUEPEZPX-JSGCOSHPSA-N 0 1 292.398 3.583 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1ccoc1C ZINC000358030467 1127397461 /nfs/dbraw/zinc/39/74/61/1127397461.db2.gz ZMSJAFMDASSJPT-LLVKDONJSA-N 0 1 275.396 3.699 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](CO)c2cccc(F)c2)s1 ZINC000358175748 1127406329 /nfs/dbraw/zinc/40/63/29/1127406329.db2.gz MUEJIDHGSXRXET-BXUZGUMPSA-N 0 1 279.380 3.580 20 0 CHADMN COC[C@@H](N[C@H](C)c1cnccc1C)c1ccc(F)cc1 ZINC000358174152 1127406513 /nfs/dbraw/zinc/40/65/13/1127406513.db2.gz KQPQDIPFCCTOKE-CXAGYDPISA-N 0 1 288.366 3.567 20 0 CHADMN CCn1cc([C@@H](C)N[C@@H](C)c2ccc(F)c(C)c2)cn1 ZINC000358389134 1127419297 /nfs/dbraw/zinc/41/92/97/1127419297.db2.gz CQYUKQRQLZDBIC-QWHCGFSZSA-N 0 1 275.371 3.762 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cccc(F)c1F ZINC000358502477 1127424551 /nfs/dbraw/zinc/42/45/51/1127424551.db2.gz BXZIFTUMDMFULW-LLVKDONJSA-N 0 1 276.330 3.773 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cc(F)cc(F)c1 ZINC000358501934 1127424629 /nfs/dbraw/zinc/42/46/29/1127424629.db2.gz BKWCSSFHDGBJRF-LLVKDONJSA-N 0 1 276.330 3.773 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1ccc(F)cc1F ZINC000358504829 1127424637 /nfs/dbraw/zinc/42/46/37/1127424637.db2.gz IPMQMRYUDUYNIM-NSHDSACASA-N 0 1 276.330 3.773 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)N[C@@H]1CCc2cccnc21 ZINC000226806733 1127426591 /nfs/dbraw/zinc/42/65/91/1127426591.db2.gz VBBDYZHWCPDBEB-CZUORRHYSA-N 0 1 282.387 3.737 20 0 CHADMN CC[C@H](CSC)N(C)Cc1ccn(C2CCCC2)n1 ZINC000358738908 1127432879 /nfs/dbraw/zinc/43/28/79/1127432879.db2.gz SZZQLTLMTCXQTM-CQSZACIVSA-N 0 1 281.469 3.572 20 0 CHADMN COCC1(C)CCN(Cc2nc3ccccc3s2)CC1 ZINC000358741124 1127432912 /nfs/dbraw/zinc/43/29/12/1127432912.db2.gz DPGJVXFVGQTXJJ-UHFFFAOYSA-N 0 1 290.432 3.545 20 0 CHADMN C[C@@H](c1cccnc1)N1CC(c2nc3ccccc3s2)C1 ZINC000358815432 1127434737 /nfs/dbraw/zinc/43/47/37/1127434737.db2.gz AAURKAKKFLLECA-LBPRGKRZSA-N 0 1 295.411 3.852 20 0 CHADMN Cc1nc2ccc(CSc3ccc(C)cn3)cc2[nH]1 ZINC000358865388 1127436118 /nfs/dbraw/zinc/43/61/18/1127436118.db2.gz XEFMMNGOPJBNBG-UHFFFAOYSA-N 0 1 269.373 3.867 20 0 CHADMN CC(C)=CCCN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000358910484 1127438171 /nfs/dbraw/zinc/43/81/71/1127438171.db2.gz WQKZXIYLBKYIDB-HNNXBMFYSA-N 0 1 273.355 3.584 20 0 CHADMN C[C@@H](CSCCF)NCc1nc(C(C)(C)C)cs1 ZINC000595015107 1127441853 /nfs/dbraw/zinc/44/18/53/1127441853.db2.gz YICHWSZTQIPNHU-JTQLQIEISA-N 0 1 290.473 3.621 20 0 CHADMN CCSC1(CNCc2coc(-c3ccccc3)n2)CC1 ZINC000594986291 1127443727 /nfs/dbraw/zinc/44/37/27/1127443727.db2.gz BVVIFTUYORWRMH-UHFFFAOYSA-N 0 1 288.416 3.717 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccn(C)n1 ZINC000359018358 1127444906 /nfs/dbraw/zinc/44/49/06/1127444906.db2.gz MOGXCVNOYGBUCG-HZPDHXFCSA-N 0 1 287.382 3.678 20 0 CHADMN CC(C)(C)C(=O)c1ccc(NCc2n[nH]c(C3CC3)n2)cc1 ZINC000359015336 1127445048 /nfs/dbraw/zinc/44/50/48/1127445048.db2.gz MWKVLCYLZULGBQ-UHFFFAOYSA-N 0 1 298.390 3.523 20 0 CHADMN COc1cccc(CN2CCC[C@H]2c2ccc(C)s2)n1 ZINC000359062114 1127446920 /nfs/dbraw/zinc/44/69/20/1127446920.db2.gz CHAIKDXNFDSCJY-AWEZNQCLSA-N 0 1 288.416 3.797 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000574916321 1127451558 /nfs/dbraw/zinc/45/15/58/1127451558.db2.gz KEXXEHDYHHSENZ-SDDRHHMPSA-N 0 1 289.345 3.675 20 0 CHADMN COc1cc(C)c(CN2CC[C@@H]2c2ccccc2)c(C)n1 ZINC000359216383 1127454904 /nfs/dbraw/zinc/45/49/04/1127454904.db2.gz BAFVDCJUAAGALK-QGZVFWFLSA-N 0 1 282.387 3.654 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1cccnc1C)[C@@H]2C ZINC000359298063 1127457464 /nfs/dbraw/zinc/45/74/64/1127457464.db2.gz KFUWDOTXAVGGML-DZGCQCFKSA-N 0 1 296.414 3.906 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1cccnc1C)[C@@H]2C ZINC000359298063 1127457465 /nfs/dbraw/zinc/45/74/65/1127457465.db2.gz KFUWDOTXAVGGML-DZGCQCFKSA-N 0 1 296.414 3.906 20 0 CHADMN Fc1ccc(CN[C@@H](c2cccs2)C2CC2)nc1 ZINC000359303332 1127457691 /nfs/dbraw/zinc/45/76/91/1127457691.db2.gz GDEOQYJFAMOVRN-CQSZACIVSA-N 0 1 262.353 3.523 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000359308014 1127458248 /nfs/dbraw/zinc/45/82/48/1127458248.db2.gz VVYPJSPBLUOXDP-STQMWFEESA-N 0 1 258.365 3.957 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@@H](C)c1cncs1 ZINC000359340588 1127459391 /nfs/dbraw/zinc/45/93/91/1127459391.db2.gz LEIXBPIHRYFHTL-QWRGUYRKSA-N 0 1 261.394 3.512 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@H](C)c1cncc(F)c1 ZINC000359351071 1127460258 /nfs/dbraw/zinc/46/02/58/1127460258.db2.gz XZOQAYLGEQBLIU-VXGBXAGGSA-N 0 1 273.355 3.590 20 0 CHADMN CCCc1csc(CNc2cc3c(cn2)CCCC3)n1 ZINC000359469361 1127464089 /nfs/dbraw/zinc/46/40/89/1127464089.db2.gz GUIRCAIJKSJAJA-UHFFFAOYSA-N 0 1 287.432 3.982 20 0 CHADMN C[C@H](c1ccccn1)N(C)c1ccnc2ccccc21 ZINC000359506011 1127465810 /nfs/dbraw/zinc/46/58/10/1127465810.db2.gz IENKDAIGBFFVNV-CYBMUJFWSA-N 0 1 263.344 3.827 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359539049 1127466772 /nfs/dbraw/zinc/46/67/72/1127466772.db2.gz BKHGXELIOPMHSY-BFQNTYOBSA-N 0 1 275.396 3.520 20 0 CHADMN C[C@@H]1CC[C@@]2(CCN(Cc3nc(-c4ccccc4)no3)C2)C1 ZINC000359552022 1127467001 /nfs/dbraw/zinc/46/70/01/1127467001.db2.gz FZRCZWCPFFOMRQ-RDTXWAMCSA-N 0 1 297.402 3.749 20 0 CHADMN Cc1coc2ccc(NC(=O)CN3[C@@H](C)CC[C@@H]3C)cc12 ZINC000359543797 1127467299 /nfs/dbraw/zinc/46/72/99/1127467299.db2.gz DPSTZRLWUYNRHO-STQMWFEESA-N 0 1 286.375 3.553 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3CCC(C)(C)C3)ccc12 ZINC000359564677 1127467966 /nfs/dbraw/zinc/46/79/66/1127467966.db2.gz PJULDJSTMKDBFQ-LLVKDONJSA-N 0 1 271.364 3.636 20 0 CHADMN c1n[nH]nc1SCc1ccc(C2CCCC2)cc1 ZINC000575155049 1127467969 /nfs/dbraw/zinc/46/79/69/1127467969.db2.gz ACHFESXUOVDFCL-UHFFFAOYSA-N 0 1 259.378 3.755 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1cc2c(c(Cl)c1)OCO2 ZINC000595716719 1127474545 /nfs/dbraw/zinc/47/45/45/1127474545.db2.gz YRYUBQQYCNAPDP-GHMZBOCLSA-N 0 1 281.783 3.832 20 0 CHADMN COc1cc(C)nc(CNCc2ccc(C3CC3)cc2)c1 ZINC000359793338 1127478397 /nfs/dbraw/zinc/47/83/97/1127478397.db2.gz AJWGMLDYZZLILZ-UHFFFAOYSA-N 0 1 282.387 3.566 20 0 CHADMN Fc1ccc2c(c1)CC[C@H](N[C@@H]1CCCCC1(F)F)C2 ZINC001168408367 1127478507 /nfs/dbraw/zinc/47/85/07/1127478507.db2.gz VWUFFPACYAZPLT-LSDHHAIUSA-N 0 1 283.337 3.851 20 0 CHADMN C[C@@H](CN[C@@H](C)c1ccc(Cl)cn1)C(F)(F)F ZINC000359972710 1127485688 /nfs/dbraw/zinc/48/56/88/1127485688.db2.gz XEEXEOQXZQOIKJ-YUMQZZPRSA-N 0 1 266.694 3.584 20 0 CHADMN CO[C@@H](C)CN(Cc1ccco1)Cc1cccc(C)c1 ZINC000360027227 1127486909 /nfs/dbraw/zinc/48/69/09/1127486909.db2.gz GJVYBQMEPFUFSF-HNNXBMFYSA-N 0 1 273.376 3.625 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000360426522 1127498962 /nfs/dbraw/zinc/49/89/62/1127498962.db2.gz FTEYBKHSMQJUBJ-ZYHUDNBSSA-N 0 1 271.364 3.636 20 0 CHADMN CCc1cc(C)c(C(=O)Nc2cc3cn[nH]c3cc2C)o1 ZINC000360444798 1127499618 /nfs/dbraw/zinc/49/96/18/1127499618.db2.gz PFIZARMPUFZXPK-UHFFFAOYSA-N 0 1 283.331 3.587 20 0 CHADMN CSc1ccc(CN[C@H](C)c2cnc(C)nc2C)cc1 ZINC000360579763 1127502038 /nfs/dbraw/zinc/50/20/38/1127502038.db2.gz LCOIDMKYACUXEE-LLVKDONJSA-N 0 1 287.432 3.666 20 0 CHADMN Cc1cc(N2C[C@H](C)OC(C)(C)C2)c2cc(F)ccc2n1 ZINC000360668742 1127505330 /nfs/dbraw/zinc/50/53/30/1127505330.db2.gz KEQASILAWVOBIF-LBPRGKRZSA-N 0 1 288.366 3.686 20 0 CHADMN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000360690517 1127506199 /nfs/dbraw/zinc/50/61/99/1127506199.db2.gz RZCYHLOYYYVLRW-DGCLKSJQSA-N 0 1 289.423 3.574 20 0 CHADMN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC000360705488 1127507050 /nfs/dbraw/zinc/50/70/50/1127507050.db2.gz QDBIASGQJNHRAI-AAEUAGOBSA-N 0 1 289.423 3.574 20 0 CHADMN Cc1nnsc1CN[C@H]1C[C@H](C(C)C)c2ccccc21 ZINC000293718637 1127515159 /nfs/dbraw/zinc/51/51/59/1127515159.db2.gz PKXBFEWRIYGXTB-CABCVRRESA-N 0 1 287.432 3.821 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NCc1ccc(C(C)(F)F)cc1 ZINC000293746446 1127517534 /nfs/dbraw/zinc/51/75/34/1127517534.db2.gz PWRACFRKRIHUFE-NSHDSACASA-N 0 1 293.361 3.691 20 0 CHADMN CC(C)c1nnc(CNC[C@@H](C)Cc2ccccc2)s1 ZINC000360893700 1127518223 /nfs/dbraw/zinc/51/82/23/1127518223.db2.gz GYLQKXWFLYDYKZ-ZDUSSCGKSA-N 0 1 289.448 3.630 20 0 CHADMN CC[C@H]1CCCN1Cc1cc(F)cc(Br)c1 ZINC000093994376 1127519003 /nfs/dbraw/zinc/51/90/03/1127519003.db2.gz OUDJAGNIEUGSFW-ZDUSSCGKSA-N 0 1 286.188 3.963 20 0 CHADMN Fc1cc(Br)cc(CN2CCCCCC2)c1 ZINC000093994399 1127519160 /nfs/dbraw/zinc/51/91/60/1127519160.db2.gz PWTDTKBGAGMPBF-UHFFFAOYSA-N 0 1 286.188 3.964 20 0 CHADMN CCO[C@@H]1C[C@H](NCc2c(F)cccc2Cl)C12CCC2 ZINC000360931591 1127521640 /nfs/dbraw/zinc/52/16/40/1127521640.db2.gz PVNSPPKJZOSLPL-LSDHHAIUSA-N 0 1 297.801 3.916 20 0 CHADMN Cc1ccc(CN2C[C@H](C)[C@H]2c2ccccc2)cn1 ZINC000360983983 1127526181 /nfs/dbraw/zinc/52/61/81/1127526181.db2.gz PGNFUMMPQFYVKN-GUYCJALGSA-N 0 1 252.361 3.583 20 0 CHADMN Cc1nc([C@H]2CCCN2Cc2cccc3c[nH]nc32)cs1 ZINC000361055598 1127534111 /nfs/dbraw/zinc/53/41/11/1127534111.db2.gz SRCAQFXFFXSRIQ-OAHLLOKOSA-N 0 1 298.415 3.665 20 0 CHADMN COc1ccccc1CN1Cc2ccccc2C2(CC2)C1 ZINC000361142432 1127541400 /nfs/dbraw/zinc/54/14/00/1127541400.db2.gz RCALIRZBLOZTEC-UHFFFAOYSA-N 0 1 279.383 3.743 20 0 CHADMN Oc1ccc2c(c1)[C@@H](NCc1cc(F)cc(F)c1)CCC2 ZINC000361110402 1127538411 /nfs/dbraw/zinc/53/84/11/1127538411.db2.gz PHSOWUMYUUACSS-KRWDZBQOSA-N 0 1 289.325 3.838 20 0 CHADMN c1nc(N[C@@H]2CCCC23CCOCC3)cc2c1CCCC2 ZINC000361177429 1127544964 /nfs/dbraw/zinc/54/49/64/1127544964.db2.gz IDJUMKFAUHKAPA-MRXNPFEDSA-N 0 1 286.419 3.722 20 0 CHADMN Cc1nc(CN2CC[C@](C)(c3ccc(F)cc3)C2)cs1 ZINC000361193649 1127546480 /nfs/dbraw/zinc/54/64/80/1127546480.db2.gz HYQFFJJTUOEMLD-INIZCTEOSA-N 0 1 290.407 3.754 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2cncc(C(F)(F)F)c2)C1 ZINC000361285486 1127553125 /nfs/dbraw/zinc/55/31/25/1127553125.db2.gz DYCSZZAMCGZDOZ-PHIMTYICSA-N 0 1 272.314 3.578 20 0 CHADMN C[C@@H]1CN(Cc2cncc(C(F)(F)F)c2)C(C)(C)C1 ZINC000361318737 1127556169 /nfs/dbraw/zinc/55/61/69/1127556169.db2.gz OZNLPLFFEKBDKE-JTQLQIEISA-N 0 1 272.314 3.721 20 0 CHADMN C[C@@H]1CCN(Cc2cncc(C(F)(F)F)c2)C[C@H]1C ZINC000361348204 1127558630 /nfs/dbraw/zinc/55/86/30/1127558630.db2.gz INVHSMVQNDYBPX-GHMZBOCLSA-N 0 1 272.314 3.578 20 0 CHADMN CCCOc1cccc(CSc2nc(C3CC3)n[nH]2)c1 ZINC000294321947 1127564459 /nfs/dbraw/zinc/56/44/59/1127564459.db2.gz WVKPVCJDWLDNAT-UHFFFAOYSA-N 0 1 289.404 3.763 20 0 CHADMN CCCOc1cccc(CSc2n[nH]c(C3CC3)n2)c1 ZINC000294321947 1127564460 /nfs/dbraw/zinc/56/44/60/1127564460.db2.gz WVKPVCJDWLDNAT-UHFFFAOYSA-N 0 1 289.404 3.763 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cc2nc(-c3ccco3)no2)C1 ZINC000361545061 1127570964 /nfs/dbraw/zinc/57/09/64/1127570964.db2.gz YXYLXGZVRQIPNV-LBPRGKRZSA-N 0 1 289.379 3.588 20 0 CHADMN Cc1cccc(C[N@@H+](C)Cc2ccc(OCC3CC3)cc2)n1 ZINC000361571111 1127572492 /nfs/dbraw/zinc/57/24/92/1127572492.db2.gz HWARROGPEXYJOB-UHFFFAOYSA-N 0 1 296.414 3.811 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(OCC3CC3)cc2)n1 ZINC000361571111 1127572494 /nfs/dbraw/zinc/57/24/94/1127572494.db2.gz HWARROGPEXYJOB-UHFFFAOYSA-N 0 1 296.414 3.811 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CC[C@@H](n2cccn2)C1 ZINC000361577980 1127573209 /nfs/dbraw/zinc/57/32/09/1127573209.db2.gz PAPXENVYLLIUAH-CZUORRHYSA-N 0 1 291.345 3.559 20 0 CHADMN COc1cccc(CN2CCC(c3ccsc3)CC2)n1 ZINC000361617117 1127577132 /nfs/dbraw/zinc/57/71/32/1127577132.db2.gz AXTDEZZBPHNYQZ-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN CCCC1CCC(CN[C@H](C)c2nc(C)no2)CC1 ZINC000361611310 1127577162 /nfs/dbraw/zinc/57/71/62/1127577162.db2.gz QDUPKMBUKBQVIY-LMWSTFAQSA-N 0 1 265.401 3.635 20 0 CHADMN COc1ccc(Cl)cc1CN1CCSCC[C@@H]1C ZINC000361645183 1127579539 /nfs/dbraw/zinc/57/95/39/1127579539.db2.gz CKVHVFLWXROELB-NSHDSACASA-N 0 1 285.840 3.676 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)cn1 ZINC000361663528 1127580394 /nfs/dbraw/zinc/58/03/94/1127580394.db2.gz UITGXFKBNHJFCK-CYBMUJFWSA-N 0 1 286.341 3.800 20 0 CHADMN C[C@@H]1C[C@@H](CN(Cc2c(F)cccc2F)C2CC2)CCO1 ZINC000361735752 1127585321 /nfs/dbraw/zinc/58/53/21/1127585321.db2.gz UFEAOWVCIDNGCW-OLZOCXBDSA-N 0 1 295.373 3.744 20 0 CHADMN C[C@H]1c2ccccc2C[N@H+]1[C@@H]1CCc2ccccc2NC1=O ZINC000361748643 1127585928 /nfs/dbraw/zinc/58/59/28/1127585928.db2.gz RLTKFWMPIOHSMC-SCLBCKFNSA-N 0 1 292.382 3.517 20 0 CHADMN C[C@H]1c2ccccc2CN1[C@@H]1CCc2ccccc2NC1=O ZINC000361748643 1127585932 /nfs/dbraw/zinc/58/59/32/1127585932.db2.gz RLTKFWMPIOHSMC-SCLBCKFNSA-N 0 1 292.382 3.517 20 0 CHADMN CCC(C)=CC(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000294618408 1127586819 /nfs/dbraw/zinc/58/68/19/1127586819.db2.gz FBPGRUHCLFFZSS-SLZMIMFISA-N 0 1 299.374 3.709 20 0 CHADMN CC(C)c1nc(CNCc2ccc(C(C)(C)C)s2)n[nH]1 ZINC000294713841 1127594197 /nfs/dbraw/zinc/59/41/97/1127594197.db2.gz DYPCYMJTMKVTKE-UHFFFAOYSA-N 0 1 292.452 3.577 20 0 CHADMN CC[C@@H](C)[C@H](CNCc1ccnc(Cl)c1Cl)OC ZINC000294757669 1127597411 /nfs/dbraw/zinc/59/74/11/1127597411.db2.gz ITILOLNZWRQKGW-KOLCDFICSA-N 0 1 291.222 3.539 20 0 CHADMN Cc1nn(C)cc1[C@H]1CCCN1Cc1cc(F)ccc1C ZINC000361920915 1127599438 /nfs/dbraw/zinc/59/94/38/1127599438.db2.gz FVMJMIGYUVSROR-QGZVFWFLSA-N 0 1 287.382 3.513 20 0 CHADMN COC(=O)c1cc(CN[C@H](C)c2ccccc2C)c(C)o1 ZINC000602743515 1127608678 /nfs/dbraw/zinc/60/86/78/1127608678.db2.gz ZTORUSKPNHKYBP-GFCCVEGCSA-N 0 1 287.359 3.534 20 0 CHADMN c1coc(-c2nc(CN3CC[C@@H](C4CC4)C3)cs2)c1 ZINC000362067440 1127609232 /nfs/dbraw/zinc/60/92/32/1127609232.db2.gz QDSQGRAJQHEJBS-GFCCVEGCSA-N 0 1 274.389 3.635 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1ccncc1C ZINC000294981143 1127611672 /nfs/dbraw/zinc/61/16/72/1127611672.db2.gz GERLUDYUZHBXQF-CYBMUJFWSA-N 0 1 286.423 3.501 20 0 CHADMN CC(F)(F)CCNCc1c(F)cccc1Br ZINC000296127370 1129220734 /nfs/dbraw/zinc/22/07/34/1129220734.db2.gz UFTXZVHXVHPRSR-UHFFFAOYSA-N 0 1 296.130 3.723 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1NCC(=O)c1ccccc1F ZINC000602818234 1127617033 /nfs/dbraw/zinc/61/70/33/1127617033.db2.gz MGMJAUAIBMWUNP-GOEBONIOSA-N 0 1 295.423 3.662 20 0 CHADMN C[C@@H]1C[C@@H](NCc2ccccc2F)c2ccccc2O1 ZINC000295005357 1127613232 /nfs/dbraw/zinc/61/32/32/1127613232.db2.gz IVLQMUBLWHSHQG-MLGOLLRUSA-N 0 1 271.335 3.828 20 0 CHADMN C[C@@H]1C[C@H]1[C@@H](NCc1cnns1)c1ccc(Cl)cc1 ZINC000295002044 1127613285 /nfs/dbraw/zinc/61/32/85/1127613285.db2.gz OFQJCJIPNHTRAT-FZQKWOKYSA-N 0 1 293.823 3.678 20 0 CHADMN COCCN(Cc1nc(C2CC2)cs1)[C@H]1CC[C@H](C)C1 ZINC000362150802 1127614814 /nfs/dbraw/zinc/61/48/14/1127614814.db2.gz QICPFOFRLJXLDM-JSGCOSHPSA-N 0 1 294.464 3.658 20 0 CHADMN CC1(C)CCC(NCc2ncc(C(F)(F)F)cn2)CC1 ZINC000295115459 1127621340 /nfs/dbraw/zinc/62/13/40/1127621340.db2.gz WSMKYEQWSREYHS-UHFFFAOYSA-N 0 1 287.329 3.554 20 0 CHADMN CSC1CCN([C@H](C)c2c(F)cccc2F)CC1 ZINC000602920299 1127621785 /nfs/dbraw/zinc/62/17/85/1127621785.db2.gz AIAUBXPPQUSUJL-SNVBAGLBSA-N 0 1 271.376 3.853 20 0 CHADMN CN(Cc1cccc(C(F)F)c1)Cc1ccccn1 ZINC000295121168 1127622034 /nfs/dbraw/zinc/62/20/34/1127622034.db2.gz ITHRPCPKLNPMAF-UHFFFAOYSA-N 0 1 262.303 3.651 20 0 CHADMN COC(=O)c1oc([C@@H](C)N2CCC(CCF)CC2)cc1C ZINC000602948857 1127622407 /nfs/dbraw/zinc/62/24/07/1127622407.db2.gz VYMZJAJEHCFNBO-GFCCVEGCSA-N 0 1 297.370 3.507 20 0 CHADMN COC(=O)c1oc([C@H](C)N2CCC(CCF)CC2)cc1C ZINC000602948862 1127622517 /nfs/dbraw/zinc/62/25/17/1127622517.db2.gz VYMZJAJEHCFNBO-LBPRGKRZSA-N 0 1 297.370 3.507 20 0 CHADMN C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1cccc(O)c1 ZINC000295141406 1127622656 /nfs/dbraw/zinc/62/26/56/1127622656.db2.gz ZVEXIVMAFYRZJU-ZYHUDNBSSA-N 0 1 273.298 3.555 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cc3ccccc3s2)c2nccn21 ZINC000295146450 1127623582 /nfs/dbraw/zinc/62/35/82/1127623582.db2.gz CENFMIGMHOAZBP-BXUZGUMPSA-N 0 1 283.400 3.893 20 0 CHADMN Oc1ccc(F)c(CNC[C@H]2CCCCC2(F)F)c1F ZINC000295169308 1127625361 /nfs/dbraw/zinc/62/53/61/1127625361.db2.gz UBWSKIKMKNNAOH-SECBINFHSA-N 0 1 291.288 3.586 20 0 CHADMN Cc1nocc1CN(Cc1ccoc1)C1CCCCC1 ZINC000295248060 1127629997 /nfs/dbraw/zinc/62/99/97/1127629997.db2.gz FRRUVZXQNXQJIP-UHFFFAOYSA-N 0 1 274.364 3.911 20 0 CHADMN CCS[C@@H]1CCCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC000598588370 1127626535 /nfs/dbraw/zinc/62/65/35/1127626535.db2.gz KENXQEAFGOQFKR-CQSZACIVSA-N 0 1 284.856 3.843 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2cncc(Cl)c2)C1 ZINC000598588370 1127626537 /nfs/dbraw/zinc/62/65/37/1127626537.db2.gz KENXQEAFGOQFKR-CQSZACIVSA-N 0 1 284.856 3.843 20 0 CHADMN Fc1cc2cccnc2c(CN2CC3(C2)CCCC3)c1 ZINC000362312099 1127627019 /nfs/dbraw/zinc/62/70/19/1127627019.db2.gz HMSFNZJBPMLLRU-UHFFFAOYSA-N 0 1 270.351 3.750 20 0 CHADMN Cc1nocc1CN(C)CCCOc1cccc(Cl)c1 ZINC000295256510 1127629887 /nfs/dbraw/zinc/62/98/87/1127629887.db2.gz GMKWBSVREGYBGC-UHFFFAOYSA-N 0 1 294.782 3.537 20 0 CHADMN O=C1CCC(CN2CCCn3c(cc4ccccc43)C2)CC1 ZINC000295262954 1127631080 /nfs/dbraw/zinc/63/10/80/1127631080.db2.gz YIHXXTFPVGACBN-UHFFFAOYSA-N 0 1 296.414 3.606 20 0 CHADMN Cc1ccc([C@H](N[C@@H]2C[C@@H](C)n3ccnc32)C2CC2)cc1 ZINC000295301106 1127632975 /nfs/dbraw/zinc/63/29/75/1127632975.db2.gz VCJKVSZYEWYYQE-XYPHTWIQSA-N 0 1 281.403 3.938 20 0 CHADMN CC(C)(SCc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000362405853 1127634166 /nfs/dbraw/zinc/63/41/66/1127634166.db2.gz ZCRZIUFTLDKDLX-UHFFFAOYSA-N 0 1 273.405 3.851 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1C[C@@H](C)CC[C@@H]1C ZINC000362421226 1127634733 /nfs/dbraw/zinc/63/47/33/1127634733.db2.gz RCNKUIYHZDEFRA-STQMWFEESA-N 0 1 289.398 3.816 20 0 CHADMN Cc1nocc1CN(Cc1cccc(F)c1)C(C)C ZINC000295326220 1127634844 /nfs/dbraw/zinc/63/48/44/1127634844.db2.gz LPESKCRGNRTLIK-UHFFFAOYSA-N 0 1 262.328 3.533 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000362436443 1127635350 /nfs/dbraw/zinc/63/53/50/1127635350.db2.gz GMOAUUBBCLCQMS-KGLIPLIRSA-N 0 1 287.382 3.632 20 0 CHADMN c1nscc1CN1CCC(Cc2ccccc2)CC1 ZINC001232224274 1127637362 /nfs/dbraw/zinc/63/73/62/1127637362.db2.gz JDWRPMJNGGXFOX-UHFFFAOYSA-N 0 1 272.417 3.598 20 0 CHADMN Fc1ccccc1CN1CCC(F)(c2ccccn2)CC1 ZINC000295358660 1127637598 /nfs/dbraw/zinc/63/75/98/1127637598.db2.gz OKEPJQBWIDNDNT-UHFFFAOYSA-N 0 1 288.341 3.682 20 0 CHADMN O[C@H](CNCc1c(Cl)oc2ccccc21)c1ccco1 ZINC000761291225 1127642274 /nfs/dbraw/zinc/64/22/74/1127642274.db2.gz CRHSATOTWLQYRB-GFCCVEGCSA-N 0 1 291.734 3.502 20 0 CHADMN CC1(c2ccccc2)CCN(Cc2cnsc2)CC1 ZINC001232231107 1127644238 /nfs/dbraw/zinc/64/42/38/1127644238.db2.gz JMHUFIJNCQZAIE-UHFFFAOYSA-N 0 1 272.417 3.697 20 0 CHADMN C[C@@H](c1ccco1)N(C)CCCC(=O)c1ccccc1 ZINC000295568339 1127646752 /nfs/dbraw/zinc/64/67/52/1127646752.db2.gz QWVPBOYFRWQZJV-AWEZNQCLSA-N 0 1 271.360 3.936 20 0 CHADMN CCCCN(CC)CC(=O)Nc1cccc(Cl)c1C ZINC000052877665 1127647518 /nfs/dbraw/zinc/64/75/18/1127647518.db2.gz CCGIXPRHYINRPT-UHFFFAOYSA-N 0 1 282.815 3.709 20 0 CHADMN COc1cccc(CN[C@@H]2CCc3ccc(F)cc32)c1F ZINC000669681744 1127650492 /nfs/dbraw/zinc/65/04/92/1127650492.db2.gz KVTXXVONNYQQFK-OAHLLOKOSA-N 0 1 289.325 3.751 20 0 CHADMN CC(C)n1ccnc1CNc1ccc2cnccc2c1 ZINC000295811385 1127653691 /nfs/dbraw/zinc/65/36/91/1127653691.db2.gz ABHYFFLHYCFGMB-UHFFFAOYSA-N 0 1 266.348 3.624 20 0 CHADMN C[C@H](NCc1cccnc1N)c1ccc(C(F)(F)F)cc1 ZINC000295849879 1127654910 /nfs/dbraw/zinc/65/49/10/1127654910.db2.gz BEOBMEAUEZZVNI-JTQLQIEISA-N 0 1 295.308 3.533 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H](c1ccccc1)C1CC1 ZINC000295950044 1127658304 /nfs/dbraw/zinc/65/83/04/1127658304.db2.gz LIVQPFZPSXWSHJ-CZUORRHYSA-N 0 1 269.392 3.705 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H]1CCCc2ccccc21 ZINC000295967204 1127658675 /nfs/dbraw/zinc/65/86/75/1127658675.db2.gz MKPJJWFUXOLZLH-CZUORRHYSA-N 0 1 269.392 3.631 20 0 CHADMN COC[C@@H](NCc1ccncc1C)c1cccc(Cl)c1 ZINC000296003060 1127660314 /nfs/dbraw/zinc/66/03/14/1127660314.db2.gz KYRBYDNUMNGRHU-MRXNPFEDSA-N 0 1 290.794 3.521 20 0 CHADMN Cc1cc(CN[C@@H]2c3ccccc3O[C@H]2C)cs1 ZINC000296009561 1127660412 /nfs/dbraw/zinc/66/04/12/1127660412.db2.gz LOMPUUSUIITBBY-NHYWBVRUSA-N 0 1 259.374 3.668 20 0 CHADMN CC(=O)c1ccc(CN2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000296093021 1127662729 /nfs/dbraw/zinc/66/27/29/1127662729.db2.gz UCNZNUQKGUIMIE-ZDUSSCGKSA-N 0 1 285.309 3.664 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H](c1ccccc1)C(C)C ZINC000296135463 1127663387 /nfs/dbraw/zinc/66/33/87/1127663387.db2.gz VYGHHLYXECSBTI-ZBFHGGJFSA-N 0 1 271.408 3.951 20 0 CHADMN CC[C@@H](C)N(CC)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000669687656 1127658555 /nfs/dbraw/zinc/65/85/55/1127658555.db2.gz LBMGLWGSEVVOTL-SNVBAGLBSA-N 0 1 293.798 3.609 20 0 CHADMN CCc1ccc(CN[C@H](c2cccs2)C(C)(C)CO)o1 ZINC000296170909 1127664425 /nfs/dbraw/zinc/66/44/25/1127664425.db2.gz YVOGWJDBIZKGLU-OAHLLOKOSA-N 0 1 293.432 3.753 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H](C)c1ccc(C)cc1C ZINC000296173253 1127664608 /nfs/dbraw/zinc/66/46/08/1127664608.db2.gz XTEUWJGTRMXKJL-LSDHHAIUSA-N 0 1 271.408 3.932 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C(C)=O)cc2)cc1 ZINC000296226579 1127665831 /nfs/dbraw/zinc/66/58/31/1127665831.db2.gz DQYAEQQBEZLEAT-UHFFFAOYSA-N 0 1 283.371 3.530 20 0 CHADMN CC[C@@H]1CCCC[C@H]1CN[C@H](c1ncc[nH]1)c1cccnc1 ZINC000296304618 1127668254 /nfs/dbraw/zinc/66/82/54/1127668254.db2.gz GBLZWKKESNMHFD-VYDXJSESSA-N 0 1 298.434 3.700 20 0 CHADMN CC(C)c1nc(CN[C@H]2CC[C@@H](C)c3ccccc32)n[nH]1 ZINC000296399783 1127670823 /nfs/dbraw/zinc/67/08/23/1127670823.db2.gz KLNGEZPDJDBZQT-DOMZBBRYSA-N 0 1 284.407 3.656 20 0 CHADMN c1ccc([C@H]2CN(c3ccnc4ccccc43)CCO2)cc1 ZINC000599453359 1127672127 /nfs/dbraw/zinc/67/21/27/1127672127.db2.gz CEIJJZJTASWRSL-LJQANCHMSA-N 0 1 290.366 3.813 20 0 CHADMN Cc1nn(C(C)C)cc1CNc1ccc2cnccc2c1 ZINC000296479582 1127673155 /nfs/dbraw/zinc/67/31/55/1127673155.db2.gz IGFFNMWHSRCTCR-UHFFFAOYSA-N 0 1 280.375 3.933 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N2CCCCC[C@@H]2C)o1 ZINC000603846420 1127675804 /nfs/dbraw/zinc/67/58/04/1127675804.db2.gz FFERBQWINQAFIN-AWEZNQCLSA-N 0 1 292.423 3.526 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)oc1C ZINC000669699855 1127675892 /nfs/dbraw/zinc/67/58/92/1127675892.db2.gz LGHIFOPWNCLHMO-MNOVXSKESA-N 0 1 299.374 3.890 20 0 CHADMN C[C@@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1cncs1 ZINC000296610242 1127678760 /nfs/dbraw/zinc/67/87/60/1127678760.db2.gz WFZVYPWFMSIPKG-NQBHXWOUSA-N 0 1 274.389 3.706 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1cccnc1 ZINC000296654808 1127680966 /nfs/dbraw/zinc/68/09/66/1127680966.db2.gz ZFZPOAOOKMNETP-DVOMOZLQSA-N 0 1 268.360 3.645 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2c[nH]nc21)c1ccsc1 ZINC000296717214 1127681875 /nfs/dbraw/zinc/68/18/75/1127681875.db2.gz IMDDAMANHIGLRJ-QWHCGFSZSA-N 0 1 261.394 3.590 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(Cl)cn2)cs1 ZINC000296694498 1127681928 /nfs/dbraw/zinc/68/19/28/1127681928.db2.gz HHFUORAPWFZJMB-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN C[C@@H]1CC[C@H](N[C@@H]2CCn3ccnc32)c2ccccc21 ZINC000296719764 1127682451 /nfs/dbraw/zinc/68/24/51/1127682451.db2.gz IOGHWWYKZXULBI-UHOFOFEASA-N 0 1 267.376 3.556 20 0 CHADMN CCCC[C@@H](C)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000669704067 1127682670 /nfs/dbraw/zinc/68/26/70/1127682670.db2.gz CDFOYXRTENJUBB-SNVBAGLBSA-N 0 1 293.798 3.659 20 0 CHADMN C/C(=C/c1ccccc1)CNCc1cc(C(C)C)no1 ZINC000603949996 1127684765 /nfs/dbraw/zinc/68/47/65/1127684765.db2.gz MPBUOFCYFCGESC-ZROIWOOFSA-N 0 1 270.376 3.991 20 0 CHADMN CC(=O)c1ccc(CN2CCC(OC(C)(C)C)CC2)cc1 ZINC000296872415 1127685202 /nfs/dbraw/zinc/68/52/02/1127685202.db2.gz WGXJKWWVOXZTLZ-UHFFFAOYSA-N 0 1 289.419 3.669 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H]1c2ccccc2CC[C@H]1C ZINC000296989822 1127687357 /nfs/dbraw/zinc/68/73/57/1127687357.db2.gz SIIIRBWICMTOLL-KEYYUXOJSA-N 0 1 283.419 3.877 20 0 CHADMN CC(C)CC[N@@H+](C)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000604043280 1127690052 /nfs/dbraw/zinc/69/00/52/1127690052.db2.gz ZRTNILRFHVVYFO-CYBMUJFWSA-N 0 1 273.380 3.776 20 0 CHADMN CC(C)CCN(C)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000604043280 1127690055 /nfs/dbraw/zinc/69/00/55/1127690055.db2.gz ZRTNILRFHVVYFO-CYBMUJFWSA-N 0 1 273.380 3.776 20 0 CHADMN Cc1cccc(NCc2[nH]nc3ccccc32)c1C ZINC000604063460 1127691477 /nfs/dbraw/zinc/69/14/77/1127691477.db2.gz WZLPTLCIMVVVKR-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(C)C)CC2)c1 ZINC000604053826 1127691694 /nfs/dbraw/zinc/69/16/94/1127691694.db2.gz LNLFKKIQIKPBRB-INIZCTEOSA-N 0 1 288.435 3.692 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H]1CCCc2ccc(C)cc21 ZINC000297409087 1127695276 /nfs/dbraw/zinc/69/52/76/1127695276.db2.gz SZOXKMACVLCKOO-PBHICJAKSA-N 0 1 283.419 3.940 20 0 CHADMN Cc1cccc(CCC(=O)Nc2cccc(Cl)c2O)c1 ZINC000604266500 1127699989 /nfs/dbraw/zinc/69/99/89/1127699989.db2.gz NZISQLSGSQFMPV-UHFFFAOYSA-N 0 1 289.762 3.925 20 0 CHADMN CCCN(Cc1ccc(F)cc1)[C@H](C)c1cnccn1 ZINC000297726228 1127705697 /nfs/dbraw/zinc/70/56/97/1127705697.db2.gz BTMIIJLNPXCTBH-CYBMUJFWSA-N 0 1 273.355 3.589 20 0 CHADMN CCCC[C@@H](N[C@@H]1CCn2ccnc21)c1ccc(OC)cc1 ZINC000297791407 1127708260 /nfs/dbraw/zinc/70/82/60/1127708260.db2.gz PYTHQYARGJGUAA-IAGOWNOFSA-N 0 1 299.418 3.858 20 0 CHADMN Cc1cncc(CN2CCC[C@@H]2c2ccsc2)c1 ZINC000364783385 1127712427 /nfs/dbraw/zinc/71/24/27/1127712427.db2.gz FCBKLUXKNQLZBT-OAHLLOKOSA-N 0 1 258.390 3.789 20 0 CHADMN CCCCNC(=O)CCN(C)[C@H](C)c1ccccc1Cl ZINC000604758548 1127715799 /nfs/dbraw/zinc/71/57/99/1127715799.db2.gz WXNWBWGQESOLBD-CYBMUJFWSA-N 0 1 296.842 3.639 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298209035 1127716406 /nfs/dbraw/zinc/71/64/06/1127716406.db2.gz DIFQNHOTFFSZES-YVLXSGLVSA-N 0 1 292.329 3.866 20 0 CHADMN COc1ccc(C2(NCc3cc(C)ccc3F)CC2)cc1 ZINC000604891379 1127721540 /nfs/dbraw/zinc/72/15/40/1127721540.db2.gz AODDHCRYTCJSGI-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN CCN(CC)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000298706830 1127730548 /nfs/dbraw/zinc/73/05/48/1127730548.db2.gz XTVGMLCWYLCZDG-VIFPVBQESA-N 0 1 289.206 3.662 20 0 CHADMN CCC(C)(C)NC(=O)[C@@H](C)N1CCC[C@H]1c1ccsc1 ZINC000298743506 1127730665 /nfs/dbraw/zinc/73/06/65/1127730665.db2.gz KNAXIZNQNWYROJ-OCCSQVGLSA-N 0 1 294.464 3.578 20 0 CHADMN OC1(CNc2ccnc3cc(F)ccc32)CCCCCC1 ZINC000605148332 1127730102 /nfs/dbraw/zinc/73/01/02/1127730102.db2.gz CHXRVRQUXXRRFP-UHFFFAOYSA-N 0 1 288.366 3.871 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1cc2occc2s1 ZINC000605505080 1127738464 /nfs/dbraw/zinc/73/84/64/1127738464.db2.gz QYTKIXOTJDKMGG-UHFFFAOYSA-N 0 1 283.312 3.623 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCS[C@H]2CCCC[C@@H]21 ZINC000366959182 1127749891 /nfs/dbraw/zinc/74/98/91/1127749891.db2.gz MVSLOHMDXDXFPM-HOTGVXAUSA-N 0 1 293.480 3.632 20 0 CHADMN CC(C)c1cccc2c1OCCC[C@@H]2NCc1cncn1C ZINC000368105617 1127756713 /nfs/dbraw/zinc/75/67/13/1127756713.db2.gz URDAJGWGMRQSOK-KRWDZBQOSA-N 0 1 299.418 3.547 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1C(=O)c1[nH]nc2ccccc21 ZINC000606377840 1127761218 /nfs/dbraw/zinc/76/12/18/1127761218.db2.gz KUIDOSQECKHLHT-WFASDCNBSA-N 0 1 285.391 3.604 20 0 CHADMN CCO[C@@H]1CCCN([C@@H](CC)c2ccc(F)cc2F)C1 ZINC000606438332 1127763358 /nfs/dbraw/zinc/76/33/58/1127763358.db2.gz LOKCWPWULJHIRA-CJNGLKHVSA-N 0 1 283.362 3.917 20 0 CHADMN COC(=O)c1ccc([C@H](C)N[C@H](C)c2ccc(C)s2)o1 ZINC000230635757 1127769553 /nfs/dbraw/zinc/76/95/53/1127769553.db2.gz ROXXCXXYFSGBPN-WDEREUQCSA-N 0 1 293.388 3.848 20 0 CHADMN CCCCCN(CCCCC)C(=O)NCc1cc(C)[nH]n1 ZINC000606695879 1127770467 /nfs/dbraw/zinc/77/04/67/1127770467.db2.gz KXHBXDCYTORCAG-UHFFFAOYSA-N 0 1 294.443 3.610 20 0 CHADMN Clc1ccccc1C1=CCN(CC2=CCCOC2)CC1 ZINC000371663945 1127774892 /nfs/dbraw/zinc/77/48/92/1127774892.db2.gz FXFPCCJPRNJWNE-UHFFFAOYSA-N 0 1 289.806 3.776 20 0 CHADMN Cc1cccc([C@@H](C)C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000606839543 1127778717 /nfs/dbraw/zinc/77/87/17/1127778717.db2.gz WXJVSSHLMKVAHR-GFCCVEGCSA-N 0 1 279.343 3.614 20 0 CHADMN CC(C)CCc1nc(CN2C[C@H](C)C[C@H]2C)cs1 ZINC000607192842 1127796107 /nfs/dbraw/zinc/79/61/07/1127796107.db2.gz ZLAVVBBJDXWTME-CHWSQXEVSA-N 0 1 266.454 3.962 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2ncc(C3CC3)o2)C1 ZINC000372382034 1127798084 /nfs/dbraw/zinc/79/80/84/1127798084.db2.gz BHGLRRAOJKFOHB-CYBMUJFWSA-N 0 1 280.437 3.660 20 0 CHADMN CC(C)c1ccc(CN(C)C[C@@](C)(O)C(F)(F)F)cc1 ZINC000410313218 1127804163 /nfs/dbraw/zinc/80/41/63/1127804163.db2.gz LLBXXFKPZQNNPD-CQSZACIVSA-N 0 1 289.341 3.555 20 0 CHADMN C[C@H](O)CN(Cc1ccccc1)Cc1ccccc1Cl ZINC000607359370 1127801223 /nfs/dbraw/zinc/80/12/23/1127801223.db2.gz VPUXYCVQFOPUIO-AWEZNQCLSA-N 0 1 289.806 3.723 20 0 CHADMN CN(Cc1ccc2ccccc2c1)C[C@](C)(O)C(F)(F)F ZINC000410311260 1127805526 /nfs/dbraw/zinc/80/55/26/1127805526.db2.gz ULFXPCGPGCBALE-HNNXBMFYSA-N 0 1 297.320 3.585 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2ncnn2-c2ccccc2)CC1 ZINC000410373911 1127808198 /nfs/dbraw/zinc/80/81/98/1127808198.db2.gz RZHIJNJYLBKWNN-INIZCTEOSA-N 0 1 298.434 3.525 20 0 CHADMN Cc1cccc(-c2nnc([C@@H](C)N(C)CCC3CC3)o2)c1 ZINC000372722797 1127809997 /nfs/dbraw/zinc/80/99/97/1127809997.db2.gz AUXUXVLIURQBCK-CYBMUJFWSA-N 0 1 285.391 3.838 20 0 CHADMN CC(C)[C@H](c1ccccc1)N(C)Cn1cc[nH]c1=S ZINC000173345558 1127819604 /nfs/dbraw/zinc/81/96/04/1127819604.db2.gz QVSLBSZEQBECOZ-CQSZACIVSA-N 0 1 275.421 3.832 20 0 CHADMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cn1cc[nH]c1=S ZINC000173352196 1127819661 /nfs/dbraw/zinc/81/96/61/1127819661.db2.gz CKJBWNZERUQXSK-YPMHNXCESA-N 0 1 291.395 3.520 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)CN(CCCOC(C)C)CC3 ZINC000607729517 1127821016 /nfs/dbraw/zinc/82/10/16/1127821016.db2.gz MJEKLKCPQXGMEJ-UHFFFAOYSA-N 0 1 286.419 3.650 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCC[C@H](C)[C@H]2C)n1 ZINC000607740601 1127822352 /nfs/dbraw/zinc/82/23/52/1127822352.db2.gz CRKSDXKWDCZHHK-GXTWGEPZSA-N 0 1 285.391 3.665 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CCCC12CCC2 ZINC000373105149 1127823528 /nfs/dbraw/zinc/82/35/28/1127823528.db2.gz VHWOGFBTOCSNIL-UHFFFAOYSA-N 0 1 286.419 3.767 20 0 CHADMN C[C@H]1CN(Cn2cc[nH]c2=S)CC[C@@H]1c1ccccc1 ZINC000173365197 1127823869 /nfs/dbraw/zinc/82/38/69/1127823869.db2.gz KPFRFBYPRRRZLO-ZFWWWQNUSA-N 0 1 287.432 3.629 20 0 CHADMN CCCCCN1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000607746853 1127823952 /nfs/dbraw/zinc/82/39/52/1127823952.db2.gz VBAVOAXWOKUULZ-BBRMVZONSA-N 0 1 265.372 3.778 20 0 CHADMN C[C@H]1Cc2ccccc2CN1CCOc1ccccc1F ZINC000607747613 1127824193 /nfs/dbraw/zinc/82/41/93/1127824193.db2.gz RRLBVHSMKWNYHJ-AWEZNQCLSA-N 0 1 285.362 3.651 20 0 CHADMN CCCCCN1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000607746855 1127824606 /nfs/dbraw/zinc/82/46/06/1127824606.db2.gz VBAVOAXWOKUULZ-CZUORRHYSA-N 0 1 265.372 3.778 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)[C@@H]2COc3ccccc32)cs1 ZINC000373140500 1127824594 /nfs/dbraw/zinc/82/45/94/1127824594.db2.gz RRXPTNYPIBWZMZ-SUNKGSAMSA-N 0 1 288.416 3.667 20 0 CHADMN Cc1noc([C@H](C)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)n1 ZINC000607752136 1127825657 /nfs/dbraw/zinc/82/56/57/1127825657.db2.gz JOGJOSQXZKSXGA-HEHGZKQESA-N 0 1 285.391 3.565 20 0 CHADMN CC[C@H](C)[C@H](C)C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000373256939 1127831213 /nfs/dbraw/zinc/83/12/13/1127831213.db2.gz CKTHQYKOKSFLKJ-STQMWFEESA-N 0 1 286.419 3.785 20 0 CHADMN CC(C)N(C)CC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000063467149 1127836286 /nfs/dbraw/zinc/83/62/86/1127836286.db2.gz DNJPIFWNJXOETJ-UHFFFAOYSA-N 0 1 296.370 3.865 20 0 CHADMN CCCc1nc(CN2CCCC[C@H](CCOC)C2)cs1 ZINC000373364762 1127836939 /nfs/dbraw/zinc/83/69/39/1127836939.db2.gz VOKDMNGWNROFHN-CQSZACIVSA-N 0 1 296.480 3.734 20 0 CHADMN C[C@@H]1CCCN1Cn1c(CCC2CCCC2)n[nH]c1=S ZINC000173530062 1127837909 /nfs/dbraw/zinc/83/79/09/1127837909.db2.gz GRNLWZREKNRXMB-GFCCVEGCSA-N 0 1 294.468 3.505 20 0 CHADMN Cc1nc([C@H](C)N(C)Cc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000411154575 1127843725 /nfs/dbraw/zinc/84/37/25/1127843725.db2.gz LEUFCJRYCBJYHO-QMMMGPOBSA-N 0 1 299.205 3.613 20 0 CHADMN Fc1ccc(CN2CC[C@@H](C3CC3)C2)c(Br)c1 ZINC000400035945 1127844030 /nfs/dbraw/zinc/84/40/30/1127844030.db2.gz KZVDNHMTPSTTPR-LLVKDONJSA-N 0 1 298.199 3.820 20 0 CHADMN CC[C@H](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000608144948 1127851753 /nfs/dbraw/zinc/85/17/53/1127851753.db2.gz AJEIUSFZWMBWCH-ZMSDIMECSA-N 0 1 290.451 3.620 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2nnc(C)[nH]2)CC[C@@H]1c1ccccc1 ZINC000411297550 1127853260 /nfs/dbraw/zinc/85/32/60/1127853260.db2.gz IGXSLJBKTMDNBF-UNEWFSDZSA-N 0 1 298.434 3.690 20 0 CHADMN Clc1ccc([C@@H]2CC[N@H+]2CCc2cncs2)cc1 ZINC000411336547 1127855519 /nfs/dbraw/zinc/85/55/19/1127855519.db2.gz SUKLNNDUQHCGBO-AWEZNQCLSA-N 0 1 278.808 3.786 20 0 CHADMN Clc1ccc([C@@H]2CCN2CCc2cncs2)cc1 ZINC000411336547 1127855522 /nfs/dbraw/zinc/85/55/22/1127855522.db2.gz SUKLNNDUQHCGBO-AWEZNQCLSA-N 0 1 278.808 3.786 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@@](C)(c3ccccc3)CC2)[nH]1 ZINC000411715516 1127870171 /nfs/dbraw/zinc/87/01/71/1127870171.db2.gz CGDMSQHSDLBTOT-RDTXWAMCSA-N 0 1 298.434 3.618 20 0 CHADMN Cc1nnc([C@H](C)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)[nH]1 ZINC000411689430 1127870784 /nfs/dbraw/zinc/87/07/84/1127870784.db2.gz FNSOQPVOVVWNTP-SJWGOKEGSA-N 0 1 296.418 3.585 20 0 CHADMN Cc1ccc(NC(=O)CN2C3CCCC2CCC3)c(C)c1 ZINC000608499437 1127871908 /nfs/dbraw/zinc/87/19/08/1127871908.db2.gz KAZOEOIYRQOKED-UHFFFAOYSA-N 0 1 286.419 3.649 20 0 CHADMN Fc1ccc([C@H]2CCCN2CCc2cncs2)c(F)c1 ZINC000411806914 1127873749 /nfs/dbraw/zinc/87/37/49/1127873749.db2.gz JVYCKSZGMUDFFQ-OAHLLOKOSA-N 0 1 294.370 3.801 20 0 CHADMN CO[C@@](C)([C@H](C)NCc1csc(C(C)C)n1)C1CC1 ZINC000411961275 1127881067 /nfs/dbraw/zinc/88/10/67/1127881067.db2.gz ZSLDANKIYJLPAQ-NHYWBVRUSA-N 0 1 282.453 3.560 20 0 CHADMN CCN(Cc1nccn1Cc1ccccc1)C1CC(C)(C)C1 ZINC000412030969 1127891168 /nfs/dbraw/zinc/89/11/68/1127891168.db2.gz FLRBDGSCDFIWRD-UHFFFAOYSA-N 0 1 297.446 3.942 20 0 CHADMN C[C@H]1CC(C)(C)CN1Cc1cncc(C(F)(F)F)c1 ZINC000412046437 1127891445 /nfs/dbraw/zinc/89/14/45/1127891445.db2.gz RGMQBDRZHAUHHN-JTQLQIEISA-N 0 1 272.314 3.721 20 0 CHADMN COc1cc(C)c(C)cc1CN1CCc2ccccc2C1 ZINC001238759285 1131241623 /nfs/dbraw/zinc/24/16/23/1131241623.db2.gz IQEDCSXRKOYQJS-UHFFFAOYSA-N 0 1 281.399 3.870 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cc(Cl)sc1Cl ZINC000308352403 1127904486 /nfs/dbraw/zinc/90/44/86/1127904486.db2.gz DJHLMANYQYJAMT-ZETCQYMHSA-N 0 1 296.219 3.740 20 0 CHADMN C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000328494365 1127906828 /nfs/dbraw/zinc/90/68/28/1127906828.db2.gz UAJDSOKEHAPWRP-WDEREUQCSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cccc([O-])c1Cl ZINC000328494365 1127906832 /nfs/dbraw/zinc/90/68/32/1127906832.db2.gz UAJDSOKEHAPWRP-WDEREUQCSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1CC1CC1 ZINC000428773407 1127907019 /nfs/dbraw/zinc/90/70/19/1127907019.db2.gz QSXKNHACTRODTE-XHDPSFHLSA-N 0 1 299.336 3.877 20 0 CHADMN C[N@H+](Cc1ccc(F)c([O-])c1F)CC1CCCCC1 ZINC001232937888 1127903400 /nfs/dbraw/zinc/90/34/00/1127903400.db2.gz VSQORTPUEPTQIT-UHFFFAOYSA-N 0 1 269.335 3.683 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccc(F)cc21)c1cccc2c1OCO2 ZINC000925376194 1127903458 /nfs/dbraw/zinc/90/34/58/1127903458.db2.gz YCRRNSGCTNZVFT-MEDUHNTESA-N 0 1 299.345 3.893 20 0 CHADMN CCc1ncc(CN2CCC[C@H]2c2ccccc2OC)o1 ZINC000929493332 1127911403 /nfs/dbraw/zinc/91/14/03/1127911403.db2.gz RKECAIDMWWTPGA-HNNXBMFYSA-N 0 1 286.375 3.583 20 0 CHADMN C[C@@H](Nc1ccnc2cc(F)ccc21)[C@H]1CCCOC1 ZINC000503295236 1127913171 /nfs/dbraw/zinc/91/31/71/1127913171.db2.gz HSTPLDDFBUATAH-NEPJUHHUSA-N 0 1 274.339 3.601 20 0 CHADMN COc1cc2c(cc1-c1nc3ccc(C)cc3[nH]1)O[C@@H](C)C2 ZINC000535358987 1127913333 /nfs/dbraw/zinc/91/33/33/1127913333.db2.gz ZYMBSHULHQTZNY-NSHDSACASA-N 0 1 294.354 3.870 20 0 CHADMN CCC(CC)[C@@H](C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000535589209 1127920786 /nfs/dbraw/zinc/92/07/86/1127920786.db2.gz DEFPBFVWOJWUES-TZMCWYRMSA-N 0 1 296.480 3.539 20 0 CHADMN C[C@H](N[C@@H](C)c1ccsc1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000669828798 1127927491 /nfs/dbraw/zinc/92/74/91/1127927491.db2.gz RWTKBSGGXVVXNO-CRWXNKLISA-N 0 1 294.464 3.577 20 0 CHADMN C[C@H](NCc1c[nH]c(-c2ccccc2)n1)c1ccsc1 ZINC000669831285 1127930662 /nfs/dbraw/zinc/93/06/62/1127930662.db2.gz UBSPJONDTLAOIO-LBPRGKRZSA-N 0 1 283.400 3.989 20 0 CHADMN C[C@H](NCc1cnc(-c2ccccc2)[nH]1)c1ccsc1 ZINC000669831285 1127930669 /nfs/dbraw/zinc/93/06/69/1127930669.db2.gz UBSPJONDTLAOIO-LBPRGKRZSA-N 0 1 283.400 3.989 20 0 CHADMN Cn1cnc(CN[C@H](c2cccs2)C2CCCC2)c1 ZINC000311562736 1127936309 /nfs/dbraw/zinc/93/63/09/1127936309.db2.gz SKEAXZLUWFPMDT-HNNXBMFYSA-N 0 1 275.421 3.503 20 0 CHADMN CC[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N(C)C ZINC000413063300 1127941006 /nfs/dbraw/zinc/94/10/06/1127941006.db2.gz CZVKFCOOWNCGDP-INIZCTEOSA-N 0 1 298.386 3.758 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1cnc(C2CC2)s1 ZINC000539838102 1127944183 /nfs/dbraw/zinc/94/41/83/1127944183.db2.gz IRRSPHHMDCKHDG-LBPRGKRZSA-N 0 1 284.428 3.967 20 0 CHADMN CCN(Cc1cc(C)ns1)Cc1ccc(C)cc1 ZINC001233313421 1127945270 /nfs/dbraw/zinc/94/52/70/1127945270.db2.gz VUYCXMVHRDAXJS-UHFFFAOYSA-N 0 1 260.406 3.782 20 0 CHADMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1nc2ccccc2n1CC ZINC000539829204 1127945318 /nfs/dbraw/zinc/94/53/18/1127945318.db2.gz LCIKPXDTHMXQFR-ZIAGYGMSSA-N 0 1 271.408 3.677 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1ncccc1C)[C@H]2C ZINC000543847147 1127949709 /nfs/dbraw/zinc/94/97/09/1127949709.db2.gz RXQJLASGQYGKIJ-CABCVRRESA-N 0 1 296.414 3.906 20 0 CHADMN COC[C@@H](C)NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000539873808 1127949912 /nfs/dbraw/zinc/94/99/12/1127949912.db2.gz HJJWIJPBKIOLFH-SNVBAGLBSA-N 0 1 296.823 3.588 20 0 CHADMN C[C@H](N[C@H]1COc2ccc(F)cc21)c1ccccc1 ZINC000467003460 1127953415 /nfs/dbraw/zinc/95/34/15/1127953415.db2.gz PHFAMHXOYJUYKT-NHYWBVRUSA-N 0 1 257.308 3.610 20 0 CHADMN Cc1ccc(-c2noc(CN(C)C[C@H]3CC=CCC3)n2)cc1 ZINC000544108172 1127958124 /nfs/dbraw/zinc/95/81/24/1127958124.db2.gz YUZBEVPLUCJKSA-HNNXBMFYSA-N 0 1 297.402 3.833 20 0 CHADMN C([C@H]1CCC2(CCCCC2)O1)N1CCOCC12CCCC2 ZINC000467192356 1127958357 /nfs/dbraw/zinc/95/83/57/1127958357.db2.gz UBADJSGVBRKBME-MRXNPFEDSA-N 0 1 293.451 3.513 20 0 CHADMN Cc1ncc([C@H](C)NCc2cc3ccccc3o2)c(C)n1 ZINC000540120161 1127961609 /nfs/dbraw/zinc/96/16/09/1127961609.db2.gz ZTYWDFSAEAYOIN-NSHDSACASA-N 0 1 281.359 3.690 20 0 CHADMN CC1(C)CCCN(Cc2ccn(-c3ccccc3F)n2)C1 ZINC000467287332 1127962553 /nfs/dbraw/zinc/96/25/53/1127962553.db2.gz ARJRTQDPGLGIKW-UHFFFAOYSA-N 0 1 287.382 3.633 20 0 CHADMN CO[C@H]1CN(Cc2c(Cl)oc3ccccc32)CC[C@H]1C ZINC000467387434 1127967589 /nfs/dbraw/zinc/96/75/89/1127967589.db2.gz GSBHPQZSNKYLKV-ABAIWWIYSA-N 0 1 293.794 3.943 20 0 CHADMN Cc1cc(C)c(CC(=O)Nc2ccc3nc[nH]c3c2)c(C)c1 ZINC000540211726 1127969924 /nfs/dbraw/zinc/96/99/24/1127969924.db2.gz VFEWMPSQJYMTCC-UHFFFAOYSA-N 0 1 293.370 3.669 20 0 CHADMN CC(C)[C@@H](C)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000467452088 1127970053 /nfs/dbraw/zinc/97/00/53/1127970053.db2.gz BRLMVDTUYRNRIB-LLVKDONJSA-N 0 1 254.805 3.858 20 0 CHADMN Fc1ccc(/C=C/CN2CCOC3(CCCC3)C2)c(F)c1 ZINC000544611196 1127978375 /nfs/dbraw/zinc/97/83/75/1127978375.db2.gz MNBFSBMMCWJRAW-ONEGZZNKSA-N 0 1 293.357 3.623 20 0 CHADMN Cc1ccc([C@H](NCc2cccnc2N(C)C)C2CCC2)o1 ZINC000544578950 1127977325 /nfs/dbraw/zinc/97/73/25/1127977325.db2.gz KDTFCANSWFJSCA-QGZVFWFLSA-N 0 1 299.418 3.680 20 0 CHADMN CC[N@@H+](Cc1ccccc1)[C@@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000520416497 1127985035 /nfs/dbraw/zinc/98/50/35/1127985035.db2.gz GLCFZZQUBWNYBV-LBPRGKRZSA-N 0 1 287.359 3.869 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2COc3ccc(F)cc32)cc1 ZINC000468026319 1127987916 /nfs/dbraw/zinc/98/79/16/1127987916.db2.gz NGIUUTPYCCOUCC-BLLLJJGKSA-N 0 1 271.335 3.918 20 0 CHADMN Cc1ccsc1[C@@H](C)N[C@H]1COc2ccc(F)cc21 ZINC000468049932 1127989737 /nfs/dbraw/zinc/98/97/37/1127989737.db2.gz KNCQATQSGALLAW-MFKMUULPSA-N 0 1 277.364 3.980 20 0 CHADMN COc1cc(C)nc(-c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000540709899 1127991915 /nfs/dbraw/zinc/99/19/15/1127991915.db2.gz GSSXUTNXFCHSKK-UHFFFAOYSA-N 0 1 273.723 3.595 20 0 CHADMN Cc1ccc(Cl)cc1[C@H](C)Oc1n[nH]c(=O)cc1Cl ZINC001233587415 1127992367 /nfs/dbraw/zinc/99/23/67/1127992367.db2.gz QYXHDUIFNJJGDE-QMMMGPOBSA-N 0 1 299.157 3.937 20 0 CHADMN CC[C@@]1(C)CCN(CC(=O)Nc2ccccc2C(C)C)C1 ZINC000468122519 1127992483 /nfs/dbraw/zinc/99/24/83/1127992483.db2.gz WOMOTLYGFRXBMX-SFHVURJKSA-N 0 1 288.435 3.871 20 0 CHADMN C[C@@H](NC1(c2ccc3c(c2)OCO3)CC1)c1ccsc1 ZINC000540750961 1127993618 /nfs/dbraw/zinc/99/36/18/1127993618.db2.gz UGDJHEKMMCAKGN-LLVKDONJSA-N 0 1 287.384 3.817 20 0 CHADMN CCOC(=O)[C@@H](CC(C)C)N1CCC[C@@H]1c1ccsc1 ZINC000541069506 1128006928 /nfs/dbraw/zinc/00/69/28/1128006928.db2.gz GLIDFFVCOWDDTM-HUUCEWRRSA-N 0 1 295.448 3.863 20 0 CHADMN C[C@H](c1ncccn1)N1CCC[C@H](C(C)(C)C)CC1 ZINC000929656717 1128007250 /nfs/dbraw/zinc/00/72/50/1128007250.db2.gz JDNZWBREWHGRAY-KGLIPLIRSA-N 0 1 261.413 3.686 20 0 CHADMN c1cnc2ccc(CSc3nc(C4CC4)n[nH]3)cc2c1 ZINC000545314758 1128010698 /nfs/dbraw/zinc/01/06/98/1128010698.db2.gz WLBKFEDSQSDULC-UHFFFAOYSA-N 0 1 282.372 3.523 20 0 CHADMN c1cnc2ccc(CSc3n[nH]c(C4CC4)n3)cc2c1 ZINC000545314758 1128010703 /nfs/dbraw/zinc/01/07/03/1128010703.db2.gz WLBKFEDSQSDULC-UHFFFAOYSA-N 0 1 282.372 3.523 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2C[C@H](C)C[C@@H]2C)s1 ZINC000545394760 1128013755 /nfs/dbraw/zinc/01/37/55/1128013755.db2.gz GYYBJBLMWHHZHF-SFYZADRCSA-N 0 1 278.343 3.701 20 0 CHADMN CCN(CCC1CC1)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000545507286 1128017865 /nfs/dbraw/zinc/01/78/65/1128017865.db2.gz XJEXZAVGLIYKFF-UHFFFAOYSA-N 0 1 297.402 3.647 20 0 CHADMN CCCCc1ccc(NC(=O)C(C)(C)c2cnc[nH]2)cc1 ZINC000468834891 1128024098 /nfs/dbraw/zinc/02/40/98/1128024098.db2.gz FSNASRQYPFCQBF-UHFFFAOYSA-N 0 1 285.391 3.669 20 0 CHADMN CO[C@@H]1CCC[C@H]1Sc1n[nH]c(CCC2CCCC2)n1 ZINC000541410068 1128022039 /nfs/dbraw/zinc/02/20/39/1128022039.db2.gz CJWJZVKMTGOMDR-CHWSQXEVSA-N 0 1 295.452 3.587 20 0 CHADMN CO[C@@H]1CCC[C@H]1Sc1nc(CCC2CCCC2)n[nH]1 ZINC000541410068 1128022042 /nfs/dbraw/zinc/02/20/42/1128022042.db2.gz CJWJZVKMTGOMDR-CHWSQXEVSA-N 0 1 295.452 3.587 20 0 CHADMN CC[C@H](NCc1cnc(-c2ccccc2)[nH]1)C(F)(F)F ZINC000468874704 1128025910 /nfs/dbraw/zinc/02/59/10/1128025910.db2.gz HMFYNTWPQLMAMQ-LBPRGKRZSA-N 0 1 283.297 3.507 20 0 CHADMN Cc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc1C ZINC000545731762 1128030671 /nfs/dbraw/zinc/03/06/71/1128030671.db2.gz QAWJQALWCPGGPW-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN CC(C)COC[C@H](NC[C@@H](C)C(F)(F)F)c1ccco1 ZINC000541626369 1128031165 /nfs/dbraw/zinc/03/11/65/1128031165.db2.gz DDGXUJXGFZGCQU-NEPJUHHUSA-N 0 1 293.329 3.781 20 0 CHADMN CCC(C)(C)CCN[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000541691071 1128033221 /nfs/dbraw/zinc/03/32/21/1128033221.db2.gz LTCHUHVHSPNMLR-NSHDSACASA-N 0 1 267.417 3.844 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H](c3ccccn3)C2)c1F ZINC000930316167 1128045947 /nfs/dbraw/zinc/04/59/47/1128045947.db2.gz SDYFBKRGXVKTOH-CYBMUJFWSA-N 0 1 288.341 3.658 20 0 CHADMN CC[C@H](C)CN(CC)[C@H](C)c1nnnn1C1CCCCC1 ZINC000469713177 1128050769 /nfs/dbraw/zinc/05/07/69/1128050769.db2.gz MNAKXNHUYGPELW-UONOGXRCSA-N 0 1 293.459 3.607 20 0 CHADMN CCc1ccc(C2=CCN(CCOCC(F)F)CC2)cc1 ZINC000469774470 1128052294 /nfs/dbraw/zinc/05/22/94/1128052294.db2.gz FPFBNWLZMNARFA-UHFFFAOYSA-N 0 1 295.373 3.620 20 0 CHADMN CCn1cnc(Cl)c1CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC001205082649 1128057406 /nfs/dbraw/zinc/05/74/06/1128057406.db2.gz OTBJUHGWYPBUQW-QWHCGFSZSA-N 0 1 281.831 3.569 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NC(=O)c2n[nH]c3ccccc32)c1 ZINC000303252745 1128061897 /nfs/dbraw/zinc/06/18/97/1128061897.db2.gz BSEAMCPCGYNKBF-CYBMUJFWSA-N 0 1 293.370 3.671 20 0 CHADMN CCc1cnc(CN2CC[C@H](c3cc(C)cc(C)c3)C2)o1 ZINC000542317167 1128062329 /nfs/dbraw/zinc/06/23/29/1128062329.db2.gz BTBVCMYVPZFGJS-HNNXBMFYSA-N 0 1 284.403 3.843 20 0 CHADMN CC(C)(C)[C@H]1CC[N@@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000542320999 1128063370 /nfs/dbraw/zinc/06/33/70/1128063370.db2.gz VHVGRNJRKOPQKJ-AWEZNQCLSA-N 0 1 285.391 3.605 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000542320999 1128063372 /nfs/dbraw/zinc/06/33/72/1128063372.db2.gz VHVGRNJRKOPQKJ-AWEZNQCLSA-N 0 1 285.391 3.605 20 0 CHADMN CCC[C@H](CNCc1nc2ccc(F)cc2s1)OCC ZINC000623599051 1128065006 /nfs/dbraw/zinc/06/50/06/1128065006.db2.gz WLEFRTOMRJYXST-GFCCVEGCSA-N 0 1 296.411 3.730 20 0 CHADMN CCCCCN1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000470211681 1128065770 /nfs/dbraw/zinc/06/57/70/1128065770.db2.gz KVJPHLFNESQRNJ-OCCSQVGLSA-N 0 1 253.411 3.700 20 0 CHADMN CCc1ccccc1C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000470345296 1128069004 /nfs/dbraw/zinc/06/90/04/1128069004.db2.gz NJBZGBOUNGQYMS-UHFFFAOYSA-N 0 1 299.418 3.542 20 0 CHADMN O=C(c1cc(C(F)F)n[nH]1)N(c1ccccc1)C1CCC1 ZINC000913674009 1128072397 /nfs/dbraw/zinc/07/23/97/1128072397.db2.gz ZWOCKWBCWZYDLL-UHFFFAOYSA-N 0 1 291.301 3.547 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N1CCN(C)CC1(C)C ZINC001127254785 1128073179 /nfs/dbraw/zinc/07/31/79/1128073179.db2.gz CLFGRNHPTWRSIC-HNNXBMFYSA-N 0 1 282.472 3.536 20 0 CHADMN C[C@H]([N@H+](C)Cc1cccc([O-])c1Cl)C(C)(C)C ZINC000328337689 1128077957 /nfs/dbraw/zinc/07/79/57/1128077957.db2.gz KPJCUXSJYWYARU-JTQLQIEISA-N 0 1 255.789 3.912 20 0 CHADMN C[C@H]([N@@H+](C)Cc1cccc([O-])c1Cl)C(C)(C)C ZINC000328337689 1128077960 /nfs/dbraw/zinc/07/79/60/1128077960.db2.gz KPJCUXSJYWYARU-JTQLQIEISA-N 0 1 255.789 3.912 20 0 CHADMN C[C@@H]1CN(Cc2cc3ccccc3s2)C[C@H](C2CC2)O1 ZINC000470926311 1128081013 /nfs/dbraw/zinc/08/10/13/1128081013.db2.gz PLCDORUHNCOIQM-MLGOLLRUSA-N 0 1 287.428 3.901 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1ccccc1F ZINC000470950850 1128081839 /nfs/dbraw/zinc/08/18/39/1128081839.db2.gz SOWWPDAIHRLUFX-ONGXEEELSA-N 0 1 261.262 3.598 20 0 CHADMN C[C@@H](C1CCCCC1)[N@@H+](C)Cc1noc2c1CCCC2 ZINC000669944758 1128084611 /nfs/dbraw/zinc/08/46/11/1128084611.db2.gz FBJQMZLISKEZTA-ZDUSSCGKSA-N 0 1 276.424 3.954 20 0 CHADMN CC(C)N1CCC[C@H]1c1nc(CCC(C)(C)C)no1 ZINC000924062581 1128088660 /nfs/dbraw/zinc/08/86/60/1128088660.db2.gz XPQJDZOHKQQXTJ-LBPRGKRZSA-N 0 1 265.401 3.594 20 0 CHADMN Clc1ccc([C@H](NC2CC2)c2ccccn2)cc1 ZINC000924529067 1128101598 /nfs/dbraw/zinc/10/15/98/1128101598.db2.gz MAXFNHOBBHOJQV-HNNXBMFYSA-N 0 1 258.752 3.576 20 0 CHADMN COc1ccnc([C@@H](C)N[C@H]2CCCc3ccccc32)c1 ZINC000924534442 1128102635 /nfs/dbraw/zinc/10/26/35/1128102635.db2.gz KWYGSKIGBGNOLA-DYVFJYSZSA-N 0 1 282.387 3.818 20 0 CHADMN Clc1ccnc2c1CCC[C@H]2NCc1ccccc1 ZINC000924543928 1128103782 /nfs/dbraw/zinc/10/37/82/1128103782.db2.gz VTBBXAYZFBXADK-OAHLLOKOSA-N 0 1 272.779 3.902 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H](C)c2ccccc2C)c1 ZINC000924544751 1128103935 /nfs/dbraw/zinc/10/39/35/1128103935.db2.gz ZQJMLKNGIXGQLS-KBPBESRZSA-N 0 1 270.376 3.810 20 0 CHADMN CC[C@@H](NCc1ccccc1C)c1cccc(OC)n1 ZINC000924562336 1128104373 /nfs/dbraw/zinc/10/43/73/1128104373.db2.gz YHAMDXUYDSJQFC-OAHLLOKOSA-N 0 1 270.376 3.640 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3c2nccc3Cl)cc1F ZINC000924591641 1128106587 /nfs/dbraw/zinc/10/65/87/1128106587.db2.gz QFXXEDOCKXFTCC-HNNXBMFYSA-N 0 1 290.769 3.960 20 0 CHADMN C[C@H](N[C@@H](C)c1ccnnc1)c1ccc(Cl)s1 ZINC000924610031 1128107124 /nfs/dbraw/zinc/10/71/24/1128107124.db2.gz OTCMGYLHTXLSCE-IUCAKERBSA-N 0 1 267.785 3.603 20 0 CHADMN COCc1ccccc1CN[C@H](C)c1cnn(C2CCC2)c1 ZINC000924601222 1128107228 /nfs/dbraw/zinc/10/72/28/1128107228.db2.gz PUJBNJDTQQUHJR-CQSZACIVSA-N 0 1 299.418 3.605 20 0 CHADMN Cc1cccc(C(C)(C)CN[C@@H](C)c2ncco2)c1 ZINC000924856131 1128115348 /nfs/dbraw/zinc/11/53/48/1128115348.db2.gz NESSSCDZRLSBJQ-ZDUSSCGKSA-N 0 1 258.365 3.611 20 0 CHADMN C[C@@H]1C[C@H]1N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000924952310 1128117250 /nfs/dbraw/zinc/11/72/50/1128117250.db2.gz WYDPKYOKFZLOLR-LYRGGWFBSA-N 0 1 272.779 3.822 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnc(Cl)c1)c1ccccn1 ZINC000152380530 1128118718 /nfs/dbraw/zinc/11/87/18/1128118718.db2.gz ZBLKTXZIGNKQSU-WDEREUQCSA-N 0 1 261.756 3.542 20 0 CHADMN CCC[C@H](NC[C@@H](O)[C@@H](C)CC)c1ncccc1Cl ZINC000925045498 1128120188 /nfs/dbraw/zinc/12/01/88/1128120188.db2.gz LHOKOLGFKNOEBN-FPMFFAJLSA-N 0 1 284.831 3.573 20 0 CHADMN C[C@H](NC/C=C\c1ccccc1)c1cn2c(n1)CCCC2 ZINC000925050890 1128120238 /nfs/dbraw/zinc/12/02/38/1128120238.db2.gz JNKWHFPZTFNNJF-XMELGKRDSA-N 0 1 281.403 3.583 20 0 CHADMN CC[C@@H](N[C@H](C)c1cccc2c1OCO2)c1ccncc1 ZINC000925129485 1128122759 /nfs/dbraw/zinc/12/27/59/1128122759.db2.gz IXOYKCZKXCAILE-IUODEOHRSA-N 0 1 284.359 3.612 20 0 CHADMN CC[C@H](N[C@H]1CCc2c1nccc2Cl)c1ccncc1 ZINC000925128819 1128123046 /nfs/dbraw/zinc/12/30/46/1128123046.db2.gz GPABIOOYENJGIB-GJZGRUSLSA-N 0 1 287.794 3.858 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1cn3c(n1)CCCC3)CC2 ZINC000925375624 1128128725 /nfs/dbraw/zinc/12/87/25/1128128725.db2.gz SJGMVXRAPIYIRL-PBHICJAKSA-N 0 1 295.430 3.866 20 0 CHADMN C[C@H](NCc1cccc(OCC(F)F)c1)c1ccns1 ZINC000925364266 1128128899 /nfs/dbraw/zinc/12/88/99/1128128899.db2.gz OBRSYHLVFLFPHR-JTQLQIEISA-N 0 1 298.358 3.638 20 0 CHADMN C[C@H](NCC1(Cc2ccccc2)CCC1)c1ncco1 ZINC000925522156 1128131076 /nfs/dbraw/zinc/13/10/76/1128131076.db2.gz GBNUEHVRLNKASV-AWEZNQCLSA-N 0 1 270.376 3.738 20 0 CHADMN Cc1cccc(C)c1CN[C@H](C)c1cn2c(n1)CCCC2 ZINC000925545019 1128131901 /nfs/dbraw/zinc/13/19/01/1128131901.db2.gz GLPNTQFZKKPUCQ-OAHLLOKOSA-N 0 1 283.419 3.687 20 0 CHADMN COc1cc([C@H](C)N[C@@H]2CC(C)(C)c3ccccc32)on1 ZINC000925574076 1128132986 /nfs/dbraw/zinc/13/29/86/1128132986.db2.gz YEGJSNNPYFAXTB-SMDDNHRTSA-N 0 1 286.375 3.756 20 0 CHADMN CCN(c1ccc(N[C@@H](C)c2cn(C)cn2)cc1)C(C)C ZINC000925735111 1128138785 /nfs/dbraw/zinc/13/87/85/1128138785.db2.gz SUXAAEMLWSALGK-AWEZNQCLSA-N 0 1 286.423 3.828 20 0 CHADMN C[C@H](N[C@H](c1cccnc1)C1CC1)c1cc(O)cc(F)c1 ZINC000925646296 1128135866 /nfs/dbraw/zinc/13/58/66/1128135866.db2.gz SIGKHHBVMQBIMH-GTNSWQLSSA-N 0 1 286.350 3.728 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(F)c1F)C1(Cl)CC1 ZINC000925666624 1128136405 /nfs/dbraw/zinc/13/64/05/1128136405.db2.gz UJEDGXNDLPUOHX-DTWKUNHWSA-N 0 1 259.727 3.775 20 0 CHADMN C[C@H](NCc1ccc(OC(C)(C)C)cc1)c1ccnnc1 ZINC000925779991 1128142607 /nfs/dbraw/zinc/14/26/07/1128142607.db2.gz CWVVURGVSQKRLQ-ZDUSSCGKSA-N 0 1 285.391 3.505 20 0 CHADMN CC(C)CC[C@H]1CCC[C@@H]1NCc1nc(C(C)C)no1 ZINC000493680715 1128147057 /nfs/dbraw/zinc/14/70/57/1128147057.db2.gz NCGSHAYWHCODPX-KGLIPLIRSA-N 0 1 279.428 3.888 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1C[C@H](OC(C)C)C1(C)C ZINC000926185815 1128159110 /nfs/dbraw/zinc/15/91/10/1128159110.db2.gz KUGLQIRYCNDYEH-QEJZJMRPSA-N 0 1 292.423 3.542 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc2ccccc2o1)c1ccnnc1 ZINC000926252129 1128163120 /nfs/dbraw/zinc/16/31/20/1128163120.db2.gz RXVPNBPBCTVQTJ-NEPJUHHUSA-N 0 1 267.332 3.635 20 0 CHADMN FC(F)(CN[C@@H](C1CCC1)[C@@H]1CCOC1)c1ccccc1 ZINC000926258032 1128163848 /nfs/dbraw/zinc/16/38/48/1128163848.db2.gz DZMBWANRGKIDJL-ZBFHGGJFSA-N 0 1 295.373 3.573 20 0 CHADMN Cc1cscc1CN[C@H]1CCc2c1nccc2Cl ZINC000926303573 1128166017 /nfs/dbraw/zinc/16/60/17/1128166017.db2.gz MYYNANKFKNJRCX-ZDUSSCGKSA-N 0 1 278.808 3.882 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1ncccc1C ZINC000494243178 1128166344 /nfs/dbraw/zinc/16/63/44/1128166344.db2.gz YDSBHEHQZVHJOT-QINSGFPZSA-N 0 1 266.388 3.925 20 0 CHADMN CSC1CC(N[C@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000926329808 1128167417 /nfs/dbraw/zinc/16/74/17/1128167417.db2.gz ADCNCINWGGVTTQ-LEOMRAHMSA-N 0 1 298.455 3.963 20 0 CHADMN COc1cc(C[N@@H+](C)C/C(C)=C/c2ccccc2)ccn1 ZINC000494286747 1128168844 /nfs/dbraw/zinc/16/88/44/1128168844.db2.gz CFVZNUZTYWGDCN-RVDMUPIBSA-N 0 1 282.387 3.626 20 0 CHADMN COc1cc(CN(C)C/C(C)=C/c2ccccc2)ccn1 ZINC000494286747 1128168845 /nfs/dbraw/zinc/16/88/45/1128168845.db2.gz CFVZNUZTYWGDCN-RVDMUPIBSA-N 0 1 282.387 3.626 20 0 CHADMN FC1(F)CCC[C@@H]1N[C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000926428501 1128171574 /nfs/dbraw/zinc/17/15/74/1128171574.db2.gz KYXOZQYLBQOFFO-CFVMTHIKSA-N 0 1 280.362 3.570 20 0 CHADMN COc1ccccc1[C@H](NC[C@H]1C=CCC1)c1ccccn1 ZINC000926836810 1128197808 /nfs/dbraw/zinc/19/78/08/1128197808.db2.gz JWHOTIJHCQVGPV-KXBFYZLASA-N 0 1 294.398 3.735 20 0 CHADMN Cc1oc2ccccc2c1[C@@H](C)NCc1n[nH]c(C(C)C)n1 ZINC000926507215 1128177095 /nfs/dbraw/zinc/17/70/95/1128177095.db2.gz ZNYRHIOOGOYWBF-LLVKDONJSA-N 0 1 298.390 3.834 20 0 CHADMN Cc1csc(CN[C@H](C)c2cccc3c2OCO3)c1 ZINC000926521884 1128178288 /nfs/dbraw/zinc/17/82/88/1128178288.db2.gz ULFKVMNDIOQAPL-LLVKDONJSA-N 0 1 275.373 3.636 20 0 CHADMN C[C@H](N[C@@H]1CCSc2ccc(Cl)cc21)c1cn[nH]c1 ZINC000222506204 1128178375 /nfs/dbraw/zinc/17/83/75/1128178375.db2.gz PXFFICIYHUUROM-TVQRCGJNSA-N 0 1 293.823 3.951 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2)C2CCC2)nc(C)n1 ZINC000660066095 1128179551 /nfs/dbraw/zinc/17/95/51/1128179551.db2.gz RISKMQFZZTWTCN-SFHVURJKSA-N 0 1 281.403 3.724 20 0 CHADMN CCO[C@H]1C[C@@H](N[C@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000926563575 1128181361 /nfs/dbraw/zinc/18/13/61/1128181361.db2.gz JKQWMJLIGCHGOE-ZIFCJYIRSA-N 0 1 296.414 3.637 20 0 CHADMN Clc1ccc([C@@H](N[C@@H]2CC23CC3)c2ccccn2)cc1 ZINC000926616055 1128184111 /nfs/dbraw/zinc/18/41/11/1128184111.db2.gz RBPPHLBQASHIEC-HZPDHXFCSA-N 0 1 284.790 3.967 20 0 CHADMN Clc1cccc([C@H](N[C@H]2CC23CC3)c2ccccn2)c1 ZINC000926613268 1128184118 /nfs/dbraw/zinc/18/41/18/1128184118.db2.gz CPUYTHIQSYUCTP-HOTGVXAUSA-N 0 1 284.790 3.967 20 0 CHADMN CCc1cccc(CN[C@@H](C)c2cn3c(n2)CCCC3)c1 ZINC000926657287 1128186560 /nfs/dbraw/zinc/18/65/60/1128186560.db2.gz XUZRPWVVBTVCDN-AWEZNQCLSA-N 0 1 283.419 3.633 20 0 CHADMN Cc1ccc([C@H](N[C@H]2C=CCC2)c2ccccn2)cc1 ZINC000926691056 1128187916 /nfs/dbraw/zinc/18/79/16/1128187916.db2.gz QXTKVULXFGUORD-WMZOPIPTSA-N 0 1 264.372 3.788 20 0 CHADMN CCC[C@H](N[C@H]1COC2(CCC2)C1)c1ncccc1Cl ZINC000926695846 1128188385 /nfs/dbraw/zinc/18/83/85/1128188385.db2.gz DQZGKSOPFPYCIN-OCCSQVGLSA-N 0 1 294.826 3.877 20 0 CHADMN C[C@H](NCc1nsc2ccccc12)C1(Cl)CC1 ZINC000926865478 1128198954 /nfs/dbraw/zinc/19/89/54/1128198954.db2.gz OYIFKGBDOYMYLX-VIFPVBQESA-N 0 1 266.797 3.546 20 0 CHADMN CO[C@@H](CN[C@@H]1CCCc2oc(C)nc21)C1CCCCC1 ZINC000926728790 1128190623 /nfs/dbraw/zinc/19/06/23/1128190623.db2.gz SKRYFLUEUSPVFF-ZBFHGGJFSA-N 0 1 292.423 3.545 20 0 CHADMN COc1ncccc1CN1CCCCC[C@H]1c1ccco1 ZINC000193353184 1128190657 /nfs/dbraw/zinc/19/06/57/1128190657.db2.gz YOPOZYWISYSDNB-HNNXBMFYSA-N 0 1 286.375 3.801 20 0 CHADMN CCn1nccc1CN[C@H](C)c1c(C)oc2ccccc21 ZINC000926738387 1128191045 /nfs/dbraw/zinc/19/10/45/1128191045.db2.gz KNLIOEBNQHNJCY-GFCCVEGCSA-N 0 1 283.375 3.808 20 0 CHADMN COc1ccnc([C@H](C)NCc2csc(C)c2C)c1 ZINC000926780919 1128193953 /nfs/dbraw/zinc/19/39/53/1128193953.db2.gz CBLVMQKTBPEBAU-NSHDSACASA-N 0 1 276.405 3.619 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](C)c2cccc3c2OCO3)s1 ZINC000926786615 1128194162 /nfs/dbraw/zinc/19/41/62/1128194162.db2.gz PQNBKEOSVZDFGK-UWVGGRQHSA-N 0 1 290.388 3.592 20 0 CHADMN CS[C@H]1C[C@H](N[C@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000926791345 1128194830 /nfs/dbraw/zinc/19/48/30/1128194830.db2.gz ADCNCINWGGVTTQ-JFIYKMOQSA-N 0 1 298.455 3.963 20 0 CHADMN C[C@@H](NCCc1ccc(Cl)c(Cl)c1)c1ncco1 ZINC000926871443 1128199288 /nfs/dbraw/zinc/19/92/88/1128199288.db2.gz NQVNMHDXJDKFSJ-SECBINFHSA-N 0 1 285.174 3.875 20 0 CHADMN Cc1oc2ccccc2c1[C@@H](C)N[C@H](C)c1ccnn1C ZINC000926814260 1128196201 /nfs/dbraw/zinc/19/62/01/1128196201.db2.gz VTLPPZXHAKNZIM-VXGBXAGGSA-N 0 1 283.375 3.887 20 0 CHADMN C[C@H](NCc1cscc1Cl)C1(Cl)CC1 ZINC000926863666 1128199369 /nfs/dbraw/zinc/19/93/69/1128199369.db2.gz AXEOVQYBSSWCQW-ZETCQYMHSA-N 0 1 250.194 3.651 20 0 CHADMN Cc1nc([C@H](C)Nc2ccc(CN(C)C)c(F)c2)cs1 ZINC000777701273 1128247167 /nfs/dbraw/zinc/24/71/67/1128247167.db2.gz LBDIGKPTMHOGMV-JTQLQIEISA-N 0 1 293.411 3.825 20 0 CHADMN Cc1nc(C)c(CN(C)[C@@H](C)c2cccc(Cl)c2)[nH]1 ZINC000929291618 1128268710 /nfs/dbraw/zinc/26/87/10/1128268710.db2.gz SVVJKZTUUXUWGU-NSHDSACASA-N 0 1 277.799 3.873 20 0 CHADMN C[C@H](c1cccc(Cl)c1)N(C)Cc1cnn(CCF)c1 ZINC000929291378 1128268725 /nfs/dbraw/zinc/26/87/25/1128268725.db2.gz ORXUSMPXUGTWIK-GFCCVEGCSA-N 0 1 295.789 3.699 20 0 CHADMN CC(C)C[C@H](C)CN1CCc2c(ncn2-c2ccccc2)C1 ZINC000929063583 1128256343 /nfs/dbraw/zinc/25/63/43/1128256343.db2.gz CEHTUQRMSCPSHW-INIZCTEOSA-N 0 1 297.446 3.913 20 0 CHADMN Cc1ccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)nc1 ZINC000761972536 1128258153 /nfs/dbraw/zinc/25/81/53/1128258153.db2.gz BJHHPUHIXDZVFH-QGZVFWFLSA-N 0 1 294.398 3.926 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2cccc(F)c2)c(C)nn1 ZINC000929314101 1128269333 /nfs/dbraw/zinc/26/93/33/1128269333.db2.gz NFYLPGVRWYZFDH-KRWDZBQOSA-N 0 1 285.366 3.570 20 0 CHADMN Cc1cn(C)nc1CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000929205181 1128263713 /nfs/dbraw/zinc/26/37/13/1128263713.db2.gz QBCNUPUSZQOJTN-INIZCTEOSA-N 0 1 291.826 3.869 20 0 CHADMN CCc1ncc(CN(CC)Cc2ccccc2C)o1 ZINC000929203032 1128264183 /nfs/dbraw/zinc/26/41/83/1128264183.db2.gz IAEGNBOLDKJJQM-UHFFFAOYSA-N 0 1 258.365 3.568 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1C[C@H](C)C[C@@H](C)C1 ZINC000252265531 1128199930 /nfs/dbraw/zinc/19/99/30/1128199930.db2.gz NOIUSTISXIXGAA-IJLUTSLNSA-N 0 1 291.420 3.837 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)N[C@H]1CCc2cccnc21 ZINC000926900183 1128201411 /nfs/dbraw/zinc/20/14/11/1128201411.db2.gz VZYBCUWHKZOMID-WBMJQRKESA-N 0 1 270.351 3.867 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccns2)cc1C ZINC000926902853 1128202031 /nfs/dbraw/zinc/20/20/31/1128202031.db2.gz MGNFHZQTURAZTJ-NWDGAFQWSA-N 0 1 276.405 3.872 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccc2c(c1)C[C@H](C)O2 ZINC000926917478 1128202484 /nfs/dbraw/zinc/20/24/84/1128202484.db2.gz BFGLTVMSPJCHOI-KBPBESRZSA-N 0 1 296.414 3.818 20 0 CHADMN Fc1cncc(CNCc2ccc(C3CCC3)cc2)c1 ZINC000494841724 1128205492 /nfs/dbraw/zinc/20/54/92/1128205492.db2.gz GHQBUUSULSOHGI-UHFFFAOYSA-N 0 1 270.351 3.778 20 0 CHADMN Cc1cnc(CN[C@H](C)c2ccc3c(c2)CCCO3)c(C)c1 ZINC000926959168 1128205838 /nfs/dbraw/zinc/20/58/38/1128205838.db2.gz KNFBOWTZYWULQU-OAHLLOKOSA-N 0 1 296.414 3.874 20 0 CHADMN C[N@@H+](CCCOCc1ccccc1)Cc1ccccc1F ZINC000542520476 1128207017 /nfs/dbraw/zinc/20/70/17/1128207017.db2.gz HOTLYLKFSJTLJY-UHFFFAOYSA-N 0 1 287.378 3.864 20 0 CHADMN c1nc2c(s1)CCC[C@H]2NC[C@H]1CCCC2(CCC2)O1 ZINC000927010003 1128207575 /nfs/dbraw/zinc/20/75/75/1128207575.db2.gz HKMKMKZRQHQANK-CHWSQXEVSA-N 0 1 292.448 3.602 20 0 CHADMN C[C@@H](NC[C@H]1CCCC2(CCC2)O1)c1cccnc1Cl ZINC000927020411 1128208217 /nfs/dbraw/zinc/20/82/17/1128208217.db2.gz VJHJSTZPDSXUDE-CHWSQXEVSA-N 0 1 294.826 3.877 20 0 CHADMN Cl/C=C/CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000074343520 1128212220 /nfs/dbraw/zinc/21/22/20/1128212220.db2.gz YXXCNVPJVISFLZ-UQZXCRFKSA-N 0 1 277.780 3.820 20 0 CHADMN Cc1cccc([C@@H]2CCN(Cc3nnc(C(C)(C)C)o3)C2)c1 ZINC000784480586 1128212456 /nfs/dbraw/zinc/21/24/56/1128212456.db2.gz RBPNJUASMDSIPQ-OAHLLOKOSA-N 0 1 299.418 3.665 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H]1CCCc2cccnc21 ZINC000927061706 1128213379 /nfs/dbraw/zinc/21/33/79/1128213379.db2.gz QIHDXYYSDDLVRW-WCQYABFASA-N 0 1 288.416 3.880 20 0 CHADMN COc1ccc([C@@H](N[C@H](C)c2cnccn2)C2CCC2)cc1 ZINC000927065514 1128213872 /nfs/dbraw/zinc/21/38/72/1128213872.db2.gz FKRVOBYKGFPEKU-ACJLOTCBSA-N 0 1 297.402 3.677 20 0 CHADMN Cc1cncc([C@@H](C)N[C@H]2CCCc3cccnc32)c1 ZINC000927064717 1128213907 /nfs/dbraw/zinc/21/39/07/1128213907.db2.gz YZTVLNGZHCJYLL-CJNGLKHVSA-N 0 1 267.376 3.513 20 0 CHADMN CCC[C@H](N[C@H]1CCCc2cccnc21)c1cccnc1 ZINC000927064502 1128214385 /nfs/dbraw/zinc/21/43/85/1128214385.db2.gz VWCKXZPGXNLLLM-IRXDYDNUSA-N 0 1 281.403 3.985 20 0 CHADMN C[C@H](Cc1cccc(F)c1)N1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001168474434 1128215023 /nfs/dbraw/zinc/21/50/23/1128215023.db2.gz LLODNKNBRWSDIE-KBRIMQKVSA-N 0 1 289.394 3.590 20 0 CHADMN CCc1onc(C)c1CN[C@@H]1CCCc2c(F)cccc21 ZINC000927131250 1128220780 /nfs/dbraw/zinc/22/07/80/1128220780.db2.gz IGTIVWWXZAAQRM-MRXNPFEDSA-N 0 1 288.366 3.852 20 0 CHADMN CCc1onc(C)c1CN[C@@H]1CCc2c1cccc2Cl ZINC000927138616 1128221671 /nfs/dbraw/zinc/22/16/71/1128221671.db2.gz GTVPGFGLAKGNBN-OAHLLOKOSA-N 0 1 290.794 3.976 20 0 CHADMN CCc1onc(C)c1CN[C@H](c1ccc(F)cc1)C1CC1 ZINC000927140092 1128222147 /nfs/dbraw/zinc/22/21/47/1128222147.db2.gz OFCKWEPUJFRNLV-KRWDZBQOSA-N 0 1 288.366 3.925 20 0 CHADMN CCOc1cccc([C@H](C)NCc2c(C)noc2CC)c1 ZINC000927141206 1128222238 /nfs/dbraw/zinc/22/22/38/1128222238.db2.gz VTBDZSLLGCKTOE-LBPRGKRZSA-N 0 1 288.391 3.795 20 0 CHADMN CCc1onc(C)c1CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000927143320 1128222251 /nfs/dbraw/zinc/22/22/51/1128222251.db2.gz YVQRTRSZUXTLNN-NSHDSACASA-N 0 1 276.355 3.844 20 0 CHADMN CC(C)[C@H]1CN(Cc2sccc2Cl)CCS1 ZINC000494995875 1128222727 /nfs/dbraw/zinc/22/27/27/1128222727.db2.gz KOXHPMYRJUNYNO-LLVKDONJSA-N 0 1 275.870 3.975 20 0 CHADMN CC1(CN2CCc3c(Br)cccc3C2)CC1 ZINC000559108703 1128224193 /nfs/dbraw/zinc/22/41/93/1128224193.db2.gz GDRLRHMQWDWYDA-UHFFFAOYSA-N 0 1 280.209 3.607 20 0 CHADMN C[C@H](O)C[C@@H]1CCCCN1Cc1ccc(Cl)c(F)c1 ZINC000228727588 1128225268 /nfs/dbraw/zinc/22/52/68/1128225268.db2.gz KPZJKVLWODSZRM-AAEUAGOBSA-N 0 1 285.790 3.605 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2c(C)noc2C)cc1 ZINC000073007382 1128234174 /nfs/dbraw/zinc/23/41/74/1128234174.db2.gz UJSCBVURIKFZAV-NSHDSACASA-N 0 1 258.365 3.705 20 0 CHADMN CCN(Cc1[nH]c(C)nc1C)[C@H](C)c1cccc(OC)c1 ZINC000929332077 1128270479 /nfs/dbraw/zinc/27/04/79/1128270479.db2.gz YYNXWCYLBPSVJG-CYBMUJFWSA-N 0 1 287.407 3.618 20 0 CHADMN CC(C)[N@H+](Cc1ccco1)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000929367498 1128272062 /nfs/dbraw/zinc/27/20/62/1128272062.db2.gz NTYVCLJYIHPNFO-QWHCGFSZSA-N 0 1 291.313 3.600 20 0 CHADMN C[C@@H](Nc1ccc2nn[nH]c2c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670156175 1128272113 /nfs/dbraw/zinc/27/21/13/1128272113.db2.gz VIONSVKRPGXFPX-UGFHNGPFSA-N 0 1 278.359 3.562 20 0 CHADMN C[C@@H](Nc1ccc2n[nH]nc2c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670156175 1128272115 /nfs/dbraw/zinc/27/21/15/1128272115.db2.gz VIONSVKRPGXFPX-UGFHNGPFSA-N 0 1 278.359 3.562 20 0 CHADMN c1nnc(CN(CCc2ccccc2)C2CCCC2)s1 ZINC000929404917 1128273419 /nfs/dbraw/zinc/27/34/19/1128273419.db2.gz YEMGRJLHYWGMBW-UHFFFAOYSA-N 0 1 287.432 3.525 20 0 CHADMN CCc1onc(C)c1CNC(C)(C)c1ccccc1 ZINC000929498955 1128275098 /nfs/dbraw/zinc/27/50/98/1128275098.db2.gz IQPVDMBTWXIDAC-UHFFFAOYSA-N 0 1 258.365 3.570 20 0 CHADMN C[C@@H](c1ncccn1)N1CCC2(CCCCC2)CC1 ZINC000929482778 1128275332 /nfs/dbraw/zinc/27/53/32/1128275332.db2.gz RRLNDCYCTHDYHV-AWEZNQCLSA-N 0 1 259.397 3.584 20 0 CHADMN CC[C@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@H](C)O1 ZINC000929620383 1128279682 /nfs/dbraw/zinc/27/96/82/1128279682.db2.gz RKNRFDATTYTRHC-ARLBYUKCSA-N 0 1 295.373 3.535 20 0 CHADMN C[C@@H]1CCCN(Cc2coc(C(C)(C)C)n2)[C@H]1C ZINC000929705063 1128283282 /nfs/dbraw/zinc/28/32/82/1128283282.db2.gz SUVPQAWRAWUTIT-NEPJUHHUSA-N 0 1 250.386 3.593 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@@H]2c2cccc(F)c2)c(C)nn1 ZINC000929720841 1128283554 /nfs/dbraw/zinc/28/35/54/1128283554.db2.gz SMBWATMWYZMMTC-KZULUSFZSA-N 0 1 299.393 3.816 20 0 CHADMN CCN(Cc1cc(C)cc(C)n1)[C@@H](C)c1cccc(O)c1 ZINC000929800731 1128288298 /nfs/dbraw/zinc/28/82/98/1128288298.db2.gz VXBDGFYVHTUHNU-HNNXBMFYSA-N 0 1 284.403 3.987 20 0 CHADMN C[C@H](c1ncccn1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000929730318 1128284207 /nfs/dbraw/zinc/28/42/07/1128284207.db2.gz AZKBVTMTVYPGHQ-HUUCEWRRSA-N 0 1 299.443 3.652 20 0 CHADMN C[C@H]1CN(Cc2coc(C(C)(C)C)n2)C(C)(C)C1 ZINC000929769826 1128286298 /nfs/dbraw/zinc/28/62/98/1128286298.db2.gz AULCCLBVUWUKDZ-LLVKDONJSA-N 0 1 250.386 3.593 20 0 CHADMN CC[C@H]1CCCN(Cn2c3ccccc3n(C)c2=S)C1 ZINC000915205729 1128290904 /nfs/dbraw/zinc/29/09/04/1128290904.db2.gz ILBOBADGHMOVHR-ZDUSSCGKSA-N 0 1 289.448 3.789 20 0 CHADMN FCc1ccccc1CN(Cc1cccnc1)C1CC1 ZINC000930112124 1128301002 /nfs/dbraw/zinc/30/10/02/1128301002.db2.gz OZJMQTPCEKJLDC-UHFFFAOYSA-N 0 1 270.351 3.716 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000930038362 1128298972 /nfs/dbraw/zinc/29/89/72/1128298972.db2.gz FIRBJHHCSWDJCQ-PBHICJAKSA-N 0 1 299.393 3.858 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CCC(c2cccnc2)CC1 ZINC000930160427 1128303040 /nfs/dbraw/zinc/30/30/40/1128303040.db2.gz OTDKWMHOHFKGND-CYBMUJFWSA-N 0 1 285.366 3.556 20 0 CHADMN CC(C)(C)CCNC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000930174120 1128304917 /nfs/dbraw/zinc/30/49/17/1128304917.db2.gz PJWQARFRISOJBX-UHFFFAOYSA-N 0 1 295.333 3.667 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC001168491316 1128305328 /nfs/dbraw/zinc/30/53/28/1128305328.db2.gz KWSBOEHFFHMVPS-KXBFYZLASA-N 0 1 299.389 3.830 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)N1CCO[C@H](c2ccccc2)C1 ZINC001168491316 1128305333 /nfs/dbraw/zinc/30/53/33/1128305333.db2.gz KWSBOEHFFHMVPS-KXBFYZLASA-N 0 1 299.389 3.830 20 0 CHADMN COc1cc(Cl)cc(-c2cccc3cncn32)c1 ZINC001205141404 1128311137 /nfs/dbraw/zinc/31/11/37/1128311137.db2.gz WSCMZJWBZMPAHA-UHFFFAOYSA-N 0 1 258.708 3.663 20 0 CHADMN C[C@@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H](C)[C@@H](C)O1 ZINC000930252091 1128311091 /nfs/dbraw/zinc/31/10/91/1128311091.db2.gz OSMLGWABFYDNRE-GLKFPVFTSA-N 0 1 295.373 3.533 20 0 CHADMN COC/C(C)=C\CN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000930281567 1128311930 /nfs/dbraw/zinc/31/19/30/1128311930.db2.gz ZTZBMOGKYGXJRS-JVCXIRSZSA-N 0 1 296.414 3.662 20 0 CHADMN C[C@@H](NC[C@H]1CCCC2(CCC2)O1)c1c(F)cncc1F ZINC000930474383 1128320045 /nfs/dbraw/zinc/32/00/45/1128320045.db2.gz MXYLUXUKLPADRR-VXGBXAGGSA-N 0 1 296.361 3.502 20 0 CHADMN C[C@@H](NC[C@@H]1CCCC2(CCC2)O1)c1c(F)cncc1F ZINC000930474380 1128320168 /nfs/dbraw/zinc/32/01/68/1128320168.db2.gz MXYLUXUKLPADRR-NEPJUHHUSA-N 0 1 296.361 3.502 20 0 CHADMN CCc1ncc(C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2)o1 ZINC000930473761 1128320550 /nfs/dbraw/zinc/32/05/50/1128320550.db2.gz BYJUIRFQEIOHAZ-CZUORRHYSA-N 0 1 270.376 3.820 20 0 CHADMN CC[C@@H](c1cccc(OC)c1)N(C)Cc1cc(C)nnc1C ZINC000930496350 1128321158 /nfs/dbraw/zinc/32/11/58/1128321158.db2.gz MZEYAHRIZJDALB-SFHVURJKSA-N 0 1 299.418 3.685 20 0 CHADMN CC(=O)CCN1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000153621337 1128324781 /nfs/dbraw/zinc/32/47/81/1128324781.db2.gz QVNJOAIVEQKIAP-UHFFFAOYSA-N 0 1 297.320 3.774 20 0 CHADMN CCCCO[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001205148639 1128327389 /nfs/dbraw/zinc/32/73/89/1128327389.db2.gz MLBJUPFOQVNQJG-AWEZNQCLSA-N 0 1 267.800 3.731 20 0 CHADMN Fc1ccccc1-c1n[nH]c(SC2CCSCC2)n1 ZINC000915507651 1128328624 /nfs/dbraw/zinc/32/86/24/1128328624.db2.gz MDBHPFHZMHECRE-UHFFFAOYSA-N 0 1 295.408 3.599 20 0 CHADMN CCC[N@H+](Cc1ccccc1F)C[C@@H](O)c1ccccc1 ZINC000035717551 1128331152 /nfs/dbraw/zinc/33/11/52/1128331152.db2.gz RNEYGINEXRUYAG-GOSISDBHSA-N 0 1 287.378 3.771 20 0 CHADMN CC(C)Oc1ccnc(CN2CCC(F)(C3CC3)CC2)c1 ZINC000932625368 1128418288 /nfs/dbraw/zinc/41/82/88/1128418288.db2.gz YDAQOPOANJVVBK-UHFFFAOYSA-N 0 1 292.398 3.583 20 0 CHADMN CC(C)[C@H](C(=O)Nc1cccc(-c2ccccc2)c1)N(C)C ZINC000561680586 1128347045 /nfs/dbraw/zinc/34/70/45/1128347045.db2.gz RQKYHLGZUUPZHR-GOSISDBHSA-N 0 1 296.414 3.878 20 0 CHADMN C[C@H]1CC[C@@H](CC(=O)Nc2cc(Cl)c(O)cc2F)C1 ZINC000561681241 1128347108 /nfs/dbraw/zinc/34/71/08/1128347108.db2.gz YPYJHWQLVFLQDD-DTWKUNHWSA-N 0 1 285.746 3.950 20 0 CHADMN CCn1nc(C)c(CN(C)Cc2ccccc2CF)c1C ZINC000931379544 1128359702 /nfs/dbraw/zinc/35/97/02/1128359702.db2.gz KNWRXDPWCJYEED-UHFFFAOYSA-N 0 1 289.398 3.621 20 0 CHADMN CC(C)C[C@@H](C)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000561893607 1128360136 /nfs/dbraw/zinc/36/01/36/1128360136.db2.gz PJPIILCJZPCBDH-SNVBAGLBSA-N 0 1 270.336 3.763 20 0 CHADMN C[C@@H]1CN([C@@H]2CCCc3ccc(F)cc32)Cc2c[nH]nc21 ZINC000931460856 1128362749 /nfs/dbraw/zinc/36/27/49/1128362749.db2.gz NKEVWTCCWRWCBO-BDJLRTHQSA-N 0 1 285.366 3.546 20 0 CHADMN Cc1cc(CN2CCCCCCC2)cnc1Br ZINC001235827977 1128363961 /nfs/dbraw/zinc/36/39/61/1128363961.db2.gz QNIWKWHISZNGIB-UHFFFAOYSA-N 0 1 297.240 3.919 20 0 CHADMN COc1cccc([C@@H]2CCCN2Cc2c(C)noc2C)c1 ZINC000054978882 1128365538 /nfs/dbraw/zinc/36/55/38/1128365538.db2.gz GYHBXRODMFFIAQ-KRWDZBQOSA-N 0 1 286.375 3.637 20 0 CHADMN CC(C)(C)C1CCN(Cc2nc(Cl)ccc2N)CC1 ZINC001205164197 1128365927 /nfs/dbraw/zinc/36/59/27/1128365927.db2.gz ACNIBWURLZKGGU-UHFFFAOYSA-N 0 1 281.831 3.575 20 0 CHADMN C[C@H](NCc1ccccc1F)c1ccnc(Cl)c1 ZINC000153938802 1128415542 /nfs/dbraw/zinc/41/55/42/1128415542.db2.gz GHVZJZHLANHALT-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN C[C@H](CN(C)Cc1nccn1CC(F)(F)F)C(C)(C)C ZINC000670263401 1128375408 /nfs/dbraw/zinc/37/54/08/1128375408.db2.gz JCHBSHPBERYBDE-LLVKDONJSA-N 0 1 291.361 3.559 20 0 CHADMN Fc1ccc(CNc2cccc3[nH]nnc32)c(F)c1Cl ZINC001168505822 1128375679 /nfs/dbraw/zinc/37/56/79/1128375679.db2.gz PWHPYDNSDVPSGM-UHFFFAOYSA-N 0 1 294.692 3.502 20 0 CHADMN Cc1nc(CN2CC[C@@H](CF)C2)sc1C(C)(C)C ZINC000931689494 1128376783 /nfs/dbraw/zinc/37/67/83/1128376783.db2.gz YLAIKRJHVWPMGU-NSHDSACASA-N 0 1 270.417 3.540 20 0 CHADMN C[C@@H](CN1CCSC[C@@H]1c1nccs1)C(C)(C)C ZINC000670269324 1128380709 /nfs/dbraw/zinc/38/07/09/1128380709.db2.gz RQABHCPJFMXFIU-NWDGAFQWSA-N 0 1 284.494 3.915 20 0 CHADMN C[C@H](c1ccccn1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931919295 1128387254 /nfs/dbraw/zinc/38/72/54/1128387254.db2.gz RPODQOFXWPRKMI-PWSUYJOCSA-N 0 1 288.288 3.509 20 0 CHADMN Cc1cc(-c2cc(O)cc(Cl)c2)cc2nc[nH]c21 ZINC001235904236 1128387633 /nfs/dbraw/zinc/38/76/33/1128387633.db2.gz OUUHYYAFXDWJIT-UHFFFAOYSA-N 0 1 258.708 3.897 20 0 CHADMN CC(C)(C)OC[C@@H]1CCCN1Cc1cccc(Cl)n1 ZINC000932172237 1128398718 /nfs/dbraw/zinc/39/87/18/1128398718.db2.gz RJNTZKZOVQORCI-ZDUSSCGKSA-N 0 1 282.815 3.515 20 0 CHADMN Cl/C=C\CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000932219038 1128400319 /nfs/dbraw/zinc/40/03/19/1128400319.db2.gz QCIJKBNZZFTDLT-PRUHKGEBSA-N 0 1 263.768 3.775 20 0 CHADMN Cc1ccc2nc(-c3ccc(-c4cc[nH]n4)o3)[nH]c2c1C ZINC000562407829 1128400429 /nfs/dbraw/zinc/40/04/29/1128400429.db2.gz GOJUTROQRXCDNA-UHFFFAOYSA-N 0 1 278.315 3.830 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H]2CC3CCC2CC3)n1 ZINC000562414264 1128401312 /nfs/dbraw/zinc/40/13/12/1128401312.db2.gz PKDSRQHSBXTKBT-IKWCTNDRSA-N 0 1 295.452 3.552 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000123318059 1128403959 /nfs/dbraw/zinc/40/39/59/1128403959.db2.gz HCKZHNRVWVSJQE-QWRGUYRKSA-N 0 1 291.782 3.763 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N1CCO[C@@H](C)CC1 ZINC000932334112 1128404692 /nfs/dbraw/zinc/40/46/92/1128404692.db2.gz DLEXWSFARORGJV-RYUDHWBXSA-N 0 1 253.773 3.512 20 0 CHADMN Fc1cc(CN2CC[C@@H](c3ccncc3)C2)ccc1Cl ZINC000562477441 1128404953 /nfs/dbraw/zinc/40/49/53/1128404953.db2.gz LOOMOTQOGVOITB-CQSZACIVSA-N 0 1 290.769 3.864 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)N1CCO[C@@H](C)CC1 ZINC000932344769 1128405250 /nfs/dbraw/zinc/40/52/50/1128405250.db2.gz CWXROCRHQKUOED-RYUDHWBXSA-N 0 1 253.773 3.512 20 0 CHADMN C[C@@H](c1ccccc1Cl)N1CCO[C@@H](C)CC1 ZINC000932351331 1128405706 /nfs/dbraw/zinc/40/57/06/1128405706.db2.gz UZOISTQGSPNXKC-RYUDHWBXSA-N 0 1 253.773 3.512 20 0 CHADMN FCc1ccc(CN[C@H](c2ccccn2)C2CC2)cc1 ZINC000932383901 1128406471 /nfs/dbraw/zinc/40/64/71/1128406471.db2.gz OFNXALLQWMLESP-KRWDZBQOSA-N 0 1 270.351 3.792 20 0 CHADMN C[C@@H](C(=O)Nc1ccccc1)N1Cc2ccccc2[C@@H](C)C1 ZINC000916151250 1128410271 /nfs/dbraw/zinc/41/02/71/1128410271.db2.gz CYAHVPACOORCDX-GJZGRUSLSA-N 0 1 294.398 3.633 20 0 CHADMN C[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328276850 1128420467 /nfs/dbraw/zinc/42/04/67/1128420467.db2.gz XZYJPDYOLJVTPC-GHMZBOCLSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328276850 1128420469 /nfs/dbraw/zinc/42/04/69/1128420469.db2.gz XZYJPDYOLJVTPC-GHMZBOCLSA-N 0 1 253.773 3.666 20 0 CHADMN CCCC[N@@H+](Cc1csnn1)[C@@H]1CCC[C@@H](C)C1 ZINC000562856957 1128424471 /nfs/dbraw/zinc/42/44/71/1128424471.db2.gz PLQSQXHBJBFUNT-TZMCWYRMSA-N 0 1 267.442 3.719 20 0 CHADMN CCCCN(Cc1csnn1)[C@@H]1CCC[C@@H](C)C1 ZINC000562856957 1128424473 /nfs/dbraw/zinc/42/44/73/1128424473.db2.gz PLQSQXHBJBFUNT-TZMCWYRMSA-N 0 1 267.442 3.719 20 0 CHADMN Cc1nnc(CN2C[C@H](c3ccccc3)CC2(C)C)s1 ZINC000932899328 1128426053 /nfs/dbraw/zinc/42/60/53/1128426053.db2.gz SAIFSFQYTPIEFE-CQSZACIVSA-N 0 1 287.432 3.615 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328333723 1128426748 /nfs/dbraw/zinc/42/67/48/1128426748.db2.gz JEWSEJNKZWKDAC-PHIMTYICSA-N 0 1 253.773 3.524 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328333723 1128426750 /nfs/dbraw/zinc/42/67/50/1128426750.db2.gz JEWSEJNKZWKDAC-PHIMTYICSA-N 0 1 253.773 3.524 20 0 CHADMN Cc1cccc(CN2CCCC[C@H]2c2cc[nH]n2)c1C ZINC000562901943 1128427605 /nfs/dbraw/zinc/42/76/05/1128427605.db2.gz LETRMBYLIAWIDU-KRWDZBQOSA-N 0 1 269.392 3.754 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCC[C@@H](C)C1 ZINC000037386205 1128431411 /nfs/dbraw/zinc/43/14/11/1128431411.db2.gz UTPOTSRGAAHYHT-CYBMUJFWSA-N 0 1 275.392 3.520 20 0 CHADMN CC(C)c1ccc(C[N@@H+](C)Cc2cccc(=O)[nH]2)cc1 ZINC000933394822 1128434531 /nfs/dbraw/zinc/43/45/31/1128434531.db2.gz YNHBSVDVUBMZGV-UHFFFAOYSA-N 0 1 270.376 3.543 20 0 CHADMN CC(C)c1ccc(CN(C)Cc2cccc(=O)[nH]2)cc1 ZINC000933394822 1128434534 /nfs/dbraw/zinc/43/45/34/1128434534.db2.gz YNHBSVDVUBMZGV-UHFFFAOYSA-N 0 1 270.376 3.543 20 0 CHADMN Cc1cc(C)c([C@@H](C)[N@@H+](C)Cc2cccc(=O)[nH]2)c(C)c1 ZINC000933398916 1128435039 /nfs/dbraw/zinc/43/50/39/1128435039.db2.gz OEDJFIMCYBEXJB-OAHLLOKOSA-N 0 1 284.403 3.905 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc3c2OCO3)c(C)c1 ZINC000037772197 1128435634 /nfs/dbraw/zinc/43/56/34/1128435634.db2.gz NDFXUTFXYCLIKF-AWEZNQCLSA-N 0 1 283.371 3.883 20 0 CHADMN NC1(c2noc(/C=C/C3CCCCC3)n2)CCCCC1 ZINC000562969611 1128444325 /nfs/dbraw/zinc/44/43/25/1128444325.db2.gz POCHUUHPTIKBHZ-MDZDMXLPSA-N 0 1 275.396 3.781 20 0 CHADMN COc1ccc([C@@H](C)NCc2nc3ccccc3[nH]2)cc1C ZINC000933484794 1128436037 /nfs/dbraw/zinc/43/60/37/1128436037.db2.gz RUMGVYFYYVOSDR-CYBMUJFWSA-N 0 1 295.386 3.731 20 0 CHADMN CC[C@H](C)C[C@H](C)NC(=O)c1ccc(O)c(Cl)c1 ZINC000088302016 1128436153 /nfs/dbraw/zinc/43/61/53/1128436153.db2.gz PNVKVYUOADXFOH-UWVGGRQHSA-N 0 1 269.772 3.600 20 0 CHADMN Fc1ccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)cn1 ZINC000778178045 1128440040 /nfs/dbraw/zinc/44/00/40/1128440040.db2.gz XGVLFOPIJBMFQE-OAHLLOKOSA-N 0 1 298.361 3.757 20 0 CHADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)[C@@]12C[C@@H]1CCC2 ZINC000562947399 1128442698 /nfs/dbraw/zinc/44/26/98/1128442698.db2.gz WRSIVBNXBQVJNQ-AYVTZFPOSA-N 0 1 291.301 3.629 20 0 CHADMN C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1c(F)cccc1Cl ZINC000124279924 1128443131 /nfs/dbraw/zinc/44/31/31/1128443131.db2.gz LDFXCCMPWVJVKJ-CHWSQXEVSA-N 0 1 299.817 3.995 20 0 CHADMN COCc1cccc(CN(Cc2ccoc2)C2CC2)c1 ZINC000934002963 1128449554 /nfs/dbraw/zinc/44/95/54/1128449554.db2.gz YAOUGTAVBVAUIZ-UHFFFAOYSA-N 0 1 271.360 3.591 20 0 CHADMN CC(C)CN(CC(C)(C)C)C(=O)c1cc(C(C)C)[nH]n1 ZINC000125054286 1128447618 /nfs/dbraw/zinc/44/76/18/1128447618.db2.gz ONVWPKPBELTEMY-UHFFFAOYSA-N 0 1 279.428 3.677 20 0 CHADMN COc1ccc(CNCc2cc(Cl)ccc2F)cc1 ZINC000125077286 1128447628 /nfs/dbraw/zinc/44/76/28/1128447628.db2.gz AVPRJAIFNNSUEV-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc3c(c2)COC3)c1F ZINC001235996680 1128449030 /nfs/dbraw/zinc/44/90/30/1128449030.db2.gz XAZAXZQHJUAYSV-UHFFFAOYSA-N 0 1 266.218 3.507 20 0 CHADMN C[C@H]1C[C@H](C)[N@@H+](Cc2cc(Br)cs2)C1 ZINC000125697244 1128451603 /nfs/dbraw/zinc/45/16/03/1128451603.db2.gz MURMEIHLUPIVJQ-IUCAKERBSA-N 0 1 274.227 3.741 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2cc(Br)cs2)C1 ZINC000125697244 1128451605 /nfs/dbraw/zinc/45/16/05/1128451605.db2.gz MURMEIHLUPIVJQ-IUCAKERBSA-N 0 1 274.227 3.741 20 0 CHADMN CCC[C@](C)(NCc1snnc1C)c1ccccc1 ZINC000934180437 1128453109 /nfs/dbraw/zinc/45/31/09/1128453109.db2.gz RCKSDRZMHDFATR-HNNXBMFYSA-N 0 1 275.421 3.652 20 0 CHADMN COc1ccc(CN(Cc2ccsc2)C2CC2)cc1 ZINC000125784287 1128453586 /nfs/dbraw/zinc/45/35/86/1128453586.db2.gz CFVAPVMGSJMNEJ-UHFFFAOYSA-N 0 1 273.401 3.921 20 0 CHADMN CCC[C@](C)(NCc1cnoc1C)c1ccccc1 ZINC000934181839 1128453655 /nfs/dbraw/zinc/45/36/55/1128453655.db2.gz GBKHIIKJQLLHFM-INIZCTEOSA-N 0 1 258.365 3.788 20 0 CHADMN CCCCN(CC)CC(=O)Nc1cccc(C(C)C)c1 ZINC000497116771 1128453682 /nfs/dbraw/zinc/45/36/82/1128453682.db2.gz SDDIHQLEWZCMJA-UHFFFAOYSA-N 0 1 276.424 3.871 20 0 CHADMN Cc1ccc2ncc(CN[C@@H](C)c3cncs3)cc2c1 ZINC000934193733 1128454011 /nfs/dbraw/zinc/45/40/11/1128454011.db2.gz MGUGHKMOEUSYRS-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1cccc(C)c1CN1CCO[C@H](c2ccsc2)C1 ZINC000125401326 1128449834 /nfs/dbraw/zinc/44/98/34/1128449834.db2.gz LFQZVDJDTZQSMD-KRWDZBQOSA-N 0 1 287.428 3.938 20 0 CHADMN CC[C@@H]1CCN([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000125418463 1128450224 /nfs/dbraw/zinc/45/02/24/1128450224.db2.gz KLDOMIZZFTYPFH-WDEREUQCSA-N 0 1 277.393 3.591 20 0 CHADMN Cc1ccccc1CCN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000125541791 1128450752 /nfs/dbraw/zinc/45/07/52/1128450752.db2.gz CIFNUQQZCBGFNC-GOSISDBHSA-N 0 1 291.398 3.640 20 0 CHADMN CN(CCc1ccccc1F)Cc1ccc(Cl)cn1 ZINC000778214227 1128451363 /nfs/dbraw/zinc/45/13/63/1128451363.db2.gz BSKFRYCQHYBLHE-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN CC(C)(C)CC(C)(C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000934315920 1128457709 /nfs/dbraw/zinc/45/77/09/1128457709.db2.gz HQAAEKMKLPMMDD-UHFFFAOYSA-N 0 1 291.439 3.578 20 0 CHADMN Fc1ccc2nc(-c3ccc(-n4ccnc4)cc3)[nH]c2c1 ZINC000916854948 1128458175 /nfs/dbraw/zinc/45/81/75/1128458175.db2.gz QBUGRLPSKBTYQU-UHFFFAOYSA-N 0 1 278.290 3.555 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Oc1cccc(F)c1 ZINC000916852764 1128459393 /nfs/dbraw/zinc/45/93/93/1128459393.db2.gz KZKGFKPEMBTSNK-UHFFFAOYSA-N 0 1 296.301 3.743 20 0 CHADMN FCCC1C[C@H]2CC[C@@H](C1)N2Cc1cncc(Cl)c1 ZINC000934455604 1128460508 /nfs/dbraw/zinc/46/05/08/1128460508.db2.gz QISARZNDCXBKOW-PHTAMDTFSA-N 0 1 282.790 3.838 20 0 CHADMN FCCC1C[C@H]2CC[C@@H](C1)N2Cc1cccc(Cl)n1 ZINC000934457765 1128460822 /nfs/dbraw/zinc/46/08/22/1128460822.db2.gz WGBAYIYWVMLFFB-QXMXGUDHSA-N 0 1 282.790 3.838 20 0 CHADMN C[C@@H](c1cc2ccccc2o1)N(C)Cc1cccn1C ZINC000126037716 1128460976 /nfs/dbraw/zinc/46/09/76/1128460976.db2.gz SKYLEVPNHSSSNN-ZDUSSCGKSA-N 0 1 268.360 3.964 20 0 CHADMN CCN(Cc1nc2cc(C(F)(F)F)ccc2n1C)C(C)C ZINC000126360915 1128463522 /nfs/dbraw/zinc/46/35/22/1128463522.db2.gz BXHNXZLJFNDHIU-UHFFFAOYSA-N 0 1 299.340 3.822 20 0 CHADMN C[C@H](N[C@@H]1CC=CC[C@H]1C)c1nc(Cc2ccccc2)no1 ZINC000934623808 1128464970 /nfs/dbraw/zinc/46/49/70/1128464970.db2.gz RBVGYDORWURPNQ-IJEWVQPXSA-N 0 1 297.402 3.666 20 0 CHADMN c1ccc(OC2CC2)c(CN[C@H](c2ccncc2)C2CC2)c1 ZINC000934696076 1128466649 /nfs/dbraw/zinc/46/66/49/1128466649.db2.gz CGOMBOWFOBYUTP-IBGZPJMESA-N 0 1 294.398 3.864 20 0 CHADMN CCC[C@H](C)CC[C@@H](C)NCc1nccc(Cl)n1 ZINC001257470118 1128467862 /nfs/dbraw/zinc/46/78/62/1128467862.db2.gz FPSDKGHELPQBLA-NWDGAFQWSA-N 0 1 269.820 3.825 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1C[C@@H]2CSC[C@]2(C)C1 ZINC000934773971 1128469308 /nfs/dbraw/zinc/46/93/08/1128469308.db2.gz NNXIINDNSWGMFO-HSMVNMDESA-N 0 1 294.464 3.718 20 0 CHADMN CC(C)c1cnc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)o1 ZINC000934757826 1128469342 /nfs/dbraw/zinc/46/93/42/1128469342.db2.gz ATAJXQHVWCNJJC-OLZOCXBDSA-N 0 1 262.397 3.809 20 0 CHADMN FC(F)(F)COc1ccc(CNCc2ccoc2)cc1 ZINC000065932921 1128469552 /nfs/dbraw/zinc/46/95/52/1128469552.db2.gz HJJVCBVRLLBRMT-UHFFFAOYSA-N 0 1 285.265 3.511 20 0 CHADMN CN(Cc1ccc(F)c(F)c1)C[C@H]1CC1(Cl)Cl ZINC000917053916 1128469859 /nfs/dbraw/zinc/46/98/59/1128469859.db2.gz VQDRVRKLBDQEAC-SECBINFHSA-N 0 1 280.145 3.590 20 0 CHADMN CC[C@@H]1CCCN(Cc2nc(C)c3ccccc3n2)C1 ZINC000127120200 1128473492 /nfs/dbraw/zinc/47/34/92/1128473492.db2.gz WUEWHHJJABCDNV-CQSZACIVSA-N 0 1 269.392 3.560 20 0 CHADMN COCCN(C)Cc1ccc(-c2ccccc2Cl)o1 ZINC000127155252 1128473519 /nfs/dbraw/zinc/47/35/19/1128473519.db2.gz BSGQURXSXLUEEN-UHFFFAOYSA-N 0 1 279.767 3.678 20 0 CHADMN C[C@@H]1CO[C@H](c2ccccc2)CN1[C@H]1C=CCCC1 ZINC000066498168 1128474540 /nfs/dbraw/zinc/47/45/40/1128474540.db2.gz JYOUZJCINQBDGS-PVAVHDDUSA-N 0 1 257.377 3.557 20 0 CHADMN CC(C)c1noc(CN2CCC[C@H](c3ccccc3)CC2)n1 ZINC000066898044 1128479014 /nfs/dbraw/zinc/47/90/14/1128479014.db2.gz FDTNWOAWRXPNSR-INIZCTEOSA-N 0 1 299.418 3.963 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccc[nH]2)ccc1F ZINC000127384799 1128476976 /nfs/dbraw/zinc/47/69/76/1128476976.db2.gz AISSFHXTQGICSI-INIZCTEOSA-N 0 1 258.340 3.799 20 0 CHADMN C[C@H]1CO[C@@H](c2ccccc2)CN1Cc1ccccc1 ZINC000066853215 1128478431 /nfs/dbraw/zinc/47/84/31/1128478431.db2.gz NOUYNEHSNUSLIO-MAUKXSAKSA-N 0 1 267.372 3.649 20 0 CHADMN CCOc1ccccc1CN1CCC(F)(F)[C@@H](C)C1 ZINC000563842538 1128481561 /nfs/dbraw/zinc/48/15/61/1128481561.db2.gz SICHJFZARHNBBP-LBPRGKRZSA-N 0 1 269.335 3.562 20 0 CHADMN C[C@H]1CCN(Cc2nc(Cc3ccccc3)no2)C[C@H](C)C1 ZINC000127808049 1128482542 /nfs/dbraw/zinc/48/25/42/1128482542.db2.gz OPTDRHBDFOMZBG-LSDHHAIUSA-N 0 1 299.418 3.528 20 0 CHADMN CCC[C@H](C)CC[C@@H](C)NC1(c2ncccn2)CC1 ZINC001257476989 1128484621 /nfs/dbraw/zinc/48/46/21/1128484621.db2.gz RRVQQIJKEWEYSS-UONOGXRCSA-N 0 1 261.413 3.660 20 0 CHADMN Cc1ccc(F)c(-c2noc([C@@H]3CCCN3C(C)C)n2)c1 ZINC000924010109 1128493090 /nfs/dbraw/zinc/49/30/90/1128493090.db2.gz YTDMNXFAAOSANE-AWEZNQCLSA-N 0 1 289.354 3.729 20 0 CHADMN F[C@]1(c2ccccc2)CCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000564106127 1128493731 /nfs/dbraw/zinc/49/37/31/1128493731.db2.gz SAUJBKPHVGCBCA-GOSISDBHSA-N 0 1 295.361 3.634 20 0 CHADMN C[C@@H]1C[C@H](Nc2ccc3cnccc3c2)C[C@H](C)O1 ZINC000567127699 1128558187 /nfs/dbraw/zinc/55/81/87/1128558187.db2.gz MFXJPDLVTMULCB-ATCWAGBWSA-N 0 1 256.349 3.603 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1nc(C)c2ccccc2n1 ZINC000564496093 1128510103 /nfs/dbraw/zinc/51/01/03/1128510103.db2.gz KVJHYFBTBMZJSU-CYBMUJFWSA-N 0 1 271.408 3.949 20 0 CHADMN C[C@@H]1CC[C@@]2(CCN(Cc3ccc(Cl)cn3)C2)C1 ZINC000565560926 1128528544 /nfs/dbraw/zinc/52/85/44/1128528544.db2.gz ZHURYDBNJFKHJN-IUODEOHRSA-N 0 1 264.800 3.747 20 0 CHADMN CC1(C)Cc2occc2[C@@H](N[C@@H]2CCC[C@@H]2F)C1 ZINC000565613338 1128529345 /nfs/dbraw/zinc/52/93/45/1128529345.db2.gz SCRHGQTWKMRSHC-XQQFMLRXSA-N 0 1 251.345 3.773 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1ccc2ccccc2c1 ZINC000565671866 1128530250 /nfs/dbraw/zinc/53/02/50/1128530250.db2.gz QSNIMOPVJOOYHY-GLJUWKHASA-N 0 1 297.398 3.913 20 0 CHADMN CC(C)CCC[N@@H+](CCC(=O)[O-])Cc1cccc(F)c1F ZINC000565657757 1128530556 /nfs/dbraw/zinc/53/05/56/1128530556.db2.gz VJJRDEYXVVTRTM-UHFFFAOYSA-N 0 1 299.361 3.678 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000565838637 1128533508 /nfs/dbraw/zinc/53/35/08/1128533508.db2.gz PVHDLSLXXCLBDT-INIZCTEOSA-N 0 1 289.419 3.828 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1CCCCCC(=O)[O-] ZINC000565898416 1128534514 /nfs/dbraw/zinc/53/45/14/1128534514.db2.gz JIPLXLBWTZRFSF-ZIAGYGMSSA-N 0 1 255.402 3.532 20 0 CHADMN COCc1ccc(CN[C@H](C)c2ccc(C)c(F)c2)o1 ZINC000129307811 1128536271 /nfs/dbraw/zinc/53/62/71/1128536271.db2.gz RFIZWMUNGCKECN-GFCCVEGCSA-N 0 1 277.339 3.724 20 0 CHADMN CC(C)SCC[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000566022048 1128536979 /nfs/dbraw/zinc/53/69/79/1128536979.db2.gz PFPHDPDWIVJYPO-HNNXBMFYSA-N 0 1 267.413 3.699 20 0 CHADMN CC(C)SCCN1CC[C@@](F)(c2ccccc2)C1 ZINC000566022048 1128536981 /nfs/dbraw/zinc/53/69/81/1128536981.db2.gz PFPHDPDWIVJYPO-HNNXBMFYSA-N 0 1 267.413 3.699 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000566078283 1128538118 /nfs/dbraw/zinc/53/81/18/1128538118.db2.gz SYIINQOSXIZIKW-ZDUSSCGKSA-N 0 1 271.408 3.900 20 0 CHADMN CC[C@H](Cc1ccccc1)c1nc(C2(N)CCCCC2)no1 ZINC000566096592 1128538447 /nfs/dbraw/zinc/53/84/47/1128538447.db2.gz DJPRPDFGTGHFDB-OAHLLOKOSA-N 0 1 299.418 3.924 20 0 CHADMN CCCCCC[C@@H](C)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000918321459 1128542168 /nfs/dbraw/zinc/54/21/68/1128542168.db2.gz RDXDAPCPWZHEPO-LLVKDONJSA-N 0 1 291.370 3.791 20 0 CHADMN C[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000566357122 1128542379 /nfs/dbraw/zinc/54/23/79/1128542379.db2.gz HKEZRPIGNDSILL-GDBMZVCRSA-N 0 1 293.794 3.514 20 0 CHADMN CC[N@@H+](Cc1occc1C(=O)[O-])Cc1cccc(Cl)c1 ZINC000566358117 1128542547 /nfs/dbraw/zinc/54/25/47/1128542547.db2.gz QYLRPFWNXZWSAT-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN C[C@]1(C(=O)[O-])CCC[N@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000566357124 1128542954 /nfs/dbraw/zinc/54/29/54/1128542954.db2.gz HKEZRPIGNDSILL-HOCLYGCPSA-N 0 1 293.794 3.514 20 0 CHADMN CC[C@@H](c1ccccc1)N(CC)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000566436456 1128544452 /nfs/dbraw/zinc/54/44/52/1128544452.db2.gz KMMDQAYCHNXDFY-PBHICJAKSA-N 0 1 299.418 3.588 20 0 CHADMN CCc1cc(C(=O)N2CCC[C@@H]2CC2CCCCC2)n[nH]1 ZINC000129594879 1128544936 /nfs/dbraw/zinc/54/49/36/1128544936.db2.gz QBTICVKODNQREX-OAHLLOKOSA-N 0 1 289.423 3.547 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1cc(C(C)(C)C)on1 ZINC000566589996 1128547597 /nfs/dbraw/zinc/54/75/97/1128547597.db2.gz QPANYRULOAUOPC-YPMHNXCESA-N 0 1 250.386 3.735 20 0 CHADMN Cc1oc([C@@H](C)[N@@H+](C)CCc2cccs2)cc1C(=O)[O-] ZINC000566624842 1128548071 /nfs/dbraw/zinc/54/80/71/1128548071.db2.gz CKZVKNXCOGSMRI-SNVBAGLBSA-N 0 1 293.388 3.583 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)CCOC1CCC1 ZINC000566637384 1128548257 /nfs/dbraw/zinc/54/82/57/1128548257.db2.gz HPNSQSNNDGVSNO-LBPRGKRZSA-N 0 1 267.800 3.902 20 0 CHADMN Cc1cccc([C@@H]2CCCC[N@H+]2CC2(C(=O)[O-])CC2)c1C ZINC000566625140 1128548335 /nfs/dbraw/zinc/54/83/35/1128548335.db2.gz IWYIVZQWQNAMNQ-INIZCTEOSA-N 0 1 287.403 3.695 20 0 CHADMN Cn1ccc(CN(Cc2ccccc2)C2CCCCC2)n1 ZINC000556123424 1128548332 /nfs/dbraw/zinc/54/83/32/1128548332.db2.gz NLHPBQXUCYEGIG-UHFFFAOYSA-N 0 1 283.419 3.755 20 0 CHADMN COc1ccc(CNCc2cccc(C)c2C)c(OC)c1 ZINC000069782666 1128550576 /nfs/dbraw/zinc/55/05/76/1128550576.db2.gz BTRKVZDJWFSEST-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN C[C@@H]1CC[N@@H+](CCCCCC(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000567055254 1128557005 /nfs/dbraw/zinc/55/70/05/1128557005.db2.gz ULNVBYIGBRVFFC-DYVFJYSZSA-N 0 1 293.382 3.854 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000567359060 1128563239 /nfs/dbraw/zinc/56/32/39/1128563239.db2.gz IBXIRYUJRCTWRA-GFCCVEGCSA-N 0 1 290.190 3.679 20 0 CHADMN COC(=O)[C@@H](C)N(CC[C@H](C)c1ccccc1)C1CCC1 ZINC000567438424 1128564580 /nfs/dbraw/zinc/56/45/80/1128564580.db2.gz OMPZBWPQELIPIH-LSDHHAIUSA-N 0 1 289.419 3.596 20 0 CHADMN Cc1nc(C(C)C)sc1-c1nc([C@H](N)CC(C)C)no1 ZINC000567587537 1128568101 /nfs/dbraw/zinc/56/81/01/1128568101.db2.gz QANFJXUGOIFHBA-SNVBAGLBSA-N 0 1 294.424 3.671 20 0 CHADMN CC(C)(C)C[C@@H](NCc1cnccn1)c1ccc(F)cc1 ZINC000567703224 1128570148 /nfs/dbraw/zinc/57/01/48/1128570148.db2.gz OUVVQFBUGHEGOQ-MRXNPFEDSA-N 0 1 287.382 3.883 20 0 CHADMN CC(C)Oc1cccc(CN[C@H](C)c2ccco2)c1 ZINC000042277077 1128571342 /nfs/dbraw/zinc/57/13/42/1128571342.db2.gz BGBPQRYYEYVKJB-CYBMUJFWSA-N 0 1 259.349 3.918 20 0 CHADMN C[C@H]1CN(Cc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000070695224 1128572529 /nfs/dbraw/zinc/57/25/29/1128572529.db2.gz UVSHIEVTEPHMDC-MAUKXSAKSA-N 0 1 267.372 3.649 20 0 CHADMN C[C@H]1CCCC[C@H]1Cc1nc(C2(N)CCCCC2)no1 ZINC000567890687 1128573578 /nfs/dbraw/zinc/57/35/78/1128573578.db2.gz UYAGOIFHJNAMNI-STQMWFEESA-N 0 1 277.412 3.557 20 0 CHADMN CC[C@@H](C(=O)O[C@@H](C)c1ccc(F)cc1)N(CC)CC ZINC000778618417 1128574418 /nfs/dbraw/zinc/57/44/18/1128574418.db2.gz SHWGVKRCNNJCNH-WFASDCNBSA-N 0 1 281.371 3.550 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc2ccccc21 ZINC000568061585 1128576809 /nfs/dbraw/zinc/57/68/09/1128576809.db2.gz KXTMVIZSLQYQLS-INIZCTEOSA-N 0 1 271.360 3.525 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc2ccccc21 ZINC000568061586 1128577252 /nfs/dbraw/zinc/57/72/52/1128577252.db2.gz KXTMVIZSLQYQLS-MRXNPFEDSA-N 0 1 271.360 3.525 20 0 CHADMN FC(F)(F)c1ccc2oc(CNC3(C4CC4)CC3)nc2c1 ZINC000568242999 1128581062 /nfs/dbraw/zinc/58/10/62/1128581062.db2.gz FDFLGZCSDVAYIM-UHFFFAOYSA-N 0 1 296.292 3.879 20 0 CHADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1cc(C(=O)[O-])ccc1Cl ZINC000568281677 1128582156 /nfs/dbraw/zinc/58/21/56/1128582156.db2.gz XGXVRNQRVHHMCE-JTQLQIEISA-N 0 1 281.783 3.659 20 0 CHADMN CCOc1ccccc1CN(C)Cc1cccc2c[nH]nc21 ZINC000130434430 1128582635 /nfs/dbraw/zinc/58/26/35/1128582635.db2.gz YTTGLRYPOVLMRO-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN CCN(Cc1ccc2c(n1)CCC2)[C@H](C)c1cccc(O)c1 ZINC000568363390 1128583263 /nfs/dbraw/zinc/58/32/63/1128583263.db2.gz NQTYEGPTXNHNOL-CQSZACIVSA-N 0 1 296.414 3.859 20 0 CHADMN CN(Cc1cc(C(C)(C)C)on1)[C@@H]1CCc2ccccc2C1 ZINC000568449011 1128585065 /nfs/dbraw/zinc/58/50/65/1128585065.db2.gz MCYJLGQWUZFDBG-QGZVFWFLSA-N 0 1 298.430 3.961 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@](C)(CCC)C1 ZINC000568521358 1128586806 /nfs/dbraw/zinc/58/68/06/1128586806.db2.gz WNIMCUIRVJJQBI-ZFWWWQNUSA-N 0 1 255.402 3.532 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000568520830 1128586813 /nfs/dbraw/zinc/58/68/13/1128586813.db2.gz ANJSRRVVKNRAPT-GOEBONIOSA-N 0 1 287.403 3.509 20 0 CHADMN C[N@@H+](Cc1cnc(-c2cccs2)s1)[C@@H]1CCSC1 ZINC000130582388 1128587658 /nfs/dbraw/zinc/58/76/58/1128587658.db2.gz SUFJYHUFGMJVBY-SNVBAGLBSA-N 0 1 296.486 3.809 20 0 CHADMN CSc1ccc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)s1 ZINC000568575089 1128587891 /nfs/dbraw/zinc/58/78/91/1128587891.db2.gz OXYKQTPIXARXGF-JSGCOSHPSA-N 0 1 297.489 3.859 20 0 CHADMN CC/C=C\CC[N@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000568648548 1128589306 /nfs/dbraw/zinc/58/93/06/1128589306.db2.gz HLMCYPHNFCFTHN-JNXQLMTMSA-N 0 1 279.424 3.698 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)NCC3CCC3)n2)cc1F ZINC000542615144 1128615067 /nfs/dbraw/zinc/61/50/67/1128615067.db2.gz QGKJCWRMFPVYSA-NSHDSACASA-N 0 1 289.354 3.635 20 0 CHADMN CCc1nc(C)c(CN2CCc3ccccc3C2(C)C)o1 ZINC000569062439 1128597817 /nfs/dbraw/zinc/59/78/17/1128597817.db2.gz VEXZRRRLQAIEDS-UHFFFAOYSA-N 0 1 284.403 3.839 20 0 CHADMN Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3ccccc3)[nH]n2)o1 ZINC000919329280 1128602081 /nfs/dbraw/zinc/60/20/81/1128602081.db2.gz NAZMUTPJCVXXOY-LBPRGKRZSA-N 0 1 296.326 3.896 20 0 CHADMN CCc1ccc(C[N@H+](CC)C2CCC(C(=O)[O-])CC2)cc1 ZINC000569260060 1128602966 /nfs/dbraw/zinc/60/29/66/1128602966.db2.gz LMXZQNMEERXHQH-UHFFFAOYSA-N 0 1 289.419 3.714 20 0 CHADMN C[C@@H]1CN(CCc2ccc(F)cc2Cl)CCC1(F)F ZINC000569654379 1128607088 /nfs/dbraw/zinc/60/70/88/1128607088.db2.gz ABLFSAHZPLJPDC-SNVBAGLBSA-N 0 1 291.744 3.999 20 0 CHADMN COCC[C@@H](NCc1ccc2[nH]ccc2c1)c1ccco1 ZINC000569744038 1128608474 /nfs/dbraw/zinc/60/84/74/1128608474.db2.gz PKZJKECTPURJHR-MRXNPFEDSA-N 0 1 284.359 3.628 20 0 CHADMN COC[C@H](NCc1cccc(F)c1)c1cccc(Cl)c1 ZINC000569883647 1128611282 /nfs/dbraw/zinc/61/12/82/1128611282.db2.gz VSDSZEVDLYTVHM-INIZCTEOSA-N 0 1 293.769 3.956 20 0 CHADMN CCSc1cccc(CNC2(CF)CCC2)c1 ZINC000569926624 1128612278 /nfs/dbraw/zinc/61/22/78/1128612278.db2.gz ANCDJBSOQWQOSN-UHFFFAOYSA-N 0 1 253.386 3.780 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1CC2CCC1CC2 ZINC000556788201 1128623300 /nfs/dbraw/zinc/62/33/00/1128623300.db2.gz IMUUGCCXRSBYRL-YIZWMMSDSA-N 0 1 283.375 3.636 20 0 CHADMN COCC[C@H]1CCCC[N@H+]1Cc1csc(Cl)c1 ZINC001142768372 1128627524 /nfs/dbraw/zinc/62/75/24/1128627524.db2.gz BKNBTSUZFGXNNE-GFCCVEGCSA-N 0 1 273.829 3.793 20 0 CHADMN COCC[C@H]1CCCCN1Cc1csc(Cl)c1 ZINC001142768372 1128627528 /nfs/dbraw/zinc/62/75/28/1128627528.db2.gz BKNBTSUZFGXNNE-GFCCVEGCSA-N 0 1 273.829 3.793 20 0 CHADMN COCC[C@@H]1CCCC[N@H+]1Cc1csc(Cl)c1 ZINC001142768373 1128627668 /nfs/dbraw/zinc/62/76/68/1128627668.db2.gz BKNBTSUZFGXNNE-LBPRGKRZSA-N 0 1 273.829 3.793 20 0 CHADMN COCC[C@@H]1CCCCN1Cc1csc(Cl)c1 ZINC001142768373 1128627670 /nfs/dbraw/zinc/62/76/70/1128627670.db2.gz BKNBTSUZFGXNNE-LBPRGKRZSA-N 0 1 273.829 3.793 20 0 CHADMN O=C([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000570638083 1128628322 /nfs/dbraw/zinc/62/83/22/1128628322.db2.gz KLFLLQIWDUHXHP-ABAIWWIYSA-N 0 1 293.794 3.803 20 0 CHADMN COc1ccc(F)c(CN[C@H]2c3ccccc3C[C@@H]2C)c1 ZINC000570701297 1128629626 /nfs/dbraw/zinc/62/96/26/1128629626.db2.gz JHIAGCUIWCMNTO-KPZWWZAWSA-N 0 1 285.362 3.857 20 0 CHADMN OC[C@H](N[C@@H]1C=CCCCCC1)c1cccc(Cl)c1F ZINC000572166277 1128642565 /nfs/dbraw/zinc/64/25/65/1128642565.db2.gz IZAYSDRJNQHUIK-DOMZBBRYSA-N 0 1 297.801 3.991 20 0 CHADMN CCCCc1ccc(NC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000132199930 1128645417 /nfs/dbraw/zinc/64/54/17/1128645417.db2.gz GVPFVYOGFVLXKK-HNNXBMFYSA-N 0 1 297.402 3.811 20 0 CHADMN CCCC[C@H](C)N(C)Cc1cc(C(C)(C)C)on1 ZINC000572685145 1128647067 /nfs/dbraw/zinc/64/70/67/1128647067.db2.gz FAGORZWETZXPCK-LBPRGKRZSA-N 0 1 252.402 3.983 20 0 CHADMN Cc1ccc(CN2C[C@H](C)[C@H]2C)c(Br)c1 ZINC000556944494 1128648826 /nfs/dbraw/zinc/64/88/26/1128648826.db2.gz HUCKDENXQGGCAV-WDEREUQCSA-N 0 1 268.198 3.598 20 0 CHADMN CCc1nocc1CN(C)CCc1ccc(F)cc1Cl ZINC000556946786 1128648895 /nfs/dbraw/zinc/64/88/95/1128648895.db2.gz QIRSSAZACPLCGM-UHFFFAOYSA-N 0 1 296.773 3.704 20 0 CHADMN COC1CCC(=Nc2c(Cl)ccnc2Cl)CC1 ZINC001212873641 1129232076 /nfs/dbraw/zinc/23/20/76/1129232076.db2.gz QLXARLLFVZNWNQ-SECBINFHSA-N 0 1 273.163 3.883 20 0 CHADMN c1cc2c(s1)CN(c1ccnc3ccccc31)CC2 ZINC000132475500 1128651127 /nfs/dbraw/zinc/65/11/27/1128651127.db2.gz SLSXEKCQBSJPII-UHFFFAOYSA-N 0 1 266.369 3.859 20 0 CHADMN Cc1ccc(F)cc1CN1CCC(F)(F)[C@@H](C)C1 ZINC000574122444 1128662303 /nfs/dbraw/zinc/66/23/03/1128662303.db2.gz UVJUMRMOHIDNAD-NSHDSACASA-N 0 1 257.299 3.611 20 0 CHADMN CC(C)c1ccc(CN2CCOC3(CCC3)C2)cc1 ZINC000499261275 1128667609 /nfs/dbraw/zinc/66/76/09/1128667609.db2.gz CCWDOAFPNWNJFB-UHFFFAOYSA-N 0 1 259.393 3.565 20 0 CHADMN CC[C@@H](NCc1ccc([C@@H](C)O)cc1)c1ccc(F)cn1 ZINC000779023161 1128685308 /nfs/dbraw/zinc/68/53/08/1128685308.db2.gz PAIJSXKYJSWLMN-MLGOLLRUSA-N 0 1 288.366 3.515 20 0 CHADMN CC[C@@H]1CN(CCCOc2cc(C)ccc2C)C[C@H](C)O1 ZINC000601067589 1128695213 /nfs/dbraw/zinc/69/52/13/1128695213.db2.gz LVOAENRHLMKOOG-DLBZAZTESA-N 0 1 291.435 3.572 20 0 CHADMN CC(C)C[C@@H](C)C[C@H](C)NCc1nccnc1Cl ZINC001258050874 1128695854 /nfs/dbraw/zinc/69/58/54/1128695854.db2.gz HFFGUHCJNVSTMH-NEPJUHHUSA-N 0 1 269.820 3.680 20 0 CHADMN Cn1ccnc1[C@@H](NC1CC(C(C)(C)C)C1)c1ccccc1 ZINC000577824884 1128691125 /nfs/dbraw/zinc/69/11/25/1128691125.db2.gz ZFRGWYUHQSIAAE-JCYILVPMSA-N 0 1 297.446 3.924 20 0 CHADMN CC[C@@H]1CN(CCCOc2cc(C)ccc2C)C[C@@H](C)O1 ZINC000601067590 1128695105 /nfs/dbraw/zinc/69/51/05/1128695105.db2.gz LVOAENRHLMKOOG-IAGOWNOFSA-N 0 1 291.435 3.572 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000577901863 1128698192 /nfs/dbraw/zinc/69/81/92/1128698192.db2.gz QKWWQMPBPPLJCK-JFIYKMOQSA-N 0 1 294.398 3.555 20 0 CHADMN [O-]c1cccnc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000577901863 1128698195 /nfs/dbraw/zinc/69/81/95/1128698195.db2.gz QKWWQMPBPPLJCK-JFIYKMOQSA-N 0 1 294.398 3.555 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000578012750 1128703573 /nfs/dbraw/zinc/70/35/73/1128703573.db2.gz WYZSKJHTGGQXPG-IIAWOOMASA-N 0 1 281.440 3.636 20 0 CHADMN COC(=O)c1coc([C@H](C)NCc2csc(C)c2C)c1 ZINC000601292692 1128708846 /nfs/dbraw/zinc/70/88/46/1128708846.db2.gz SNZFNLNCKUJAGU-JTQLQIEISA-N 0 1 293.388 3.595 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1ccc2c(c1)C[C@@H](C)O2 ZINC000921487443 1128709681 /nfs/dbraw/zinc/70/96/81/1128709681.db2.gz LYGVBRITHJYWFC-ZIAGYGMSSA-N 0 1 297.398 3.869 20 0 CHADMN Clc1ccc(CNCc2cnn(C3CCC3)c2)cc1 ZINC000921476715 1128710163 /nfs/dbraw/zinc/71/01/63/1128710163.db2.gz LIIXMTUEMZCVRU-UHFFFAOYSA-N 0 1 275.783 3.551 20 0 CHADMN c1nn(C2CCC2)cc1CN[C@H]1CCSc2ccccc21 ZINC000921488746 1128710276 /nfs/dbraw/zinc/71/02/76/1128710276.db2.gz HSJOGOWDJRMMHI-INIZCTEOSA-N 0 1 299.443 3.935 20 0 CHADMN Cc1ccccc1CNCc1c(Cl)n[nH]c1C1CC1 ZINC000921487514 1128710790 /nfs/dbraw/zinc/71/07/90/1128710790.db2.gz NNJYTZSZBXARJL-UHFFFAOYSA-N 0 1 275.783 3.539 20 0 CHADMN Cc1cccc(CCN2CC3(CCC3)[C@H]2c2ccco2)n1 ZINC000578189025 1128710799 /nfs/dbraw/zinc/71/07/99/1128710799.db2.gz AWDDURGGMBYZCA-QGZVFWFLSA-N 0 1 282.387 3.753 20 0 CHADMN CC(C)C[C@H](C)C[C@@H](C)NCc1ncc(Cl)cn1 ZINC001258056504 1128714601 /nfs/dbraw/zinc/71/46/01/1128714601.db2.gz PVPJPUZMHLNBEW-NWDGAFQWSA-N 0 1 269.820 3.680 20 0 CHADMN Cc1ncsc1CCN1CCc2sc(Cl)cc2C1 ZINC000578353797 1128715145 /nfs/dbraw/zinc/71/51/45/1128715145.db2.gz WXMXATDXWAJZSM-UHFFFAOYSA-N 0 1 298.864 3.767 20 0 CHADMN FC(F)C[C@@H]1COCCN1CCC1CCCCCC1 ZINC000578494361 1128719143 /nfs/dbraw/zinc/71/91/43/1128719143.db2.gz PJQRYMHCSGSCTB-CQSZACIVSA-N 0 1 275.383 3.703 20 0 CHADMN CCc1oc(C(=O)OC)cc1CN[C@@H](C)c1ccsc1 ZINC000619783813 1128720535 /nfs/dbraw/zinc/72/05/35/1128720535.db2.gz ZPDBZALHSSPKGQ-JTQLQIEISA-N 0 1 293.388 3.541 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](NCc1cnccn1)CCC2 ZINC000578496019 1128719595 /nfs/dbraw/zinc/71/95/95/1128719595.db2.gz VTHXLESEGUZYIW-GOSISDBHSA-N 0 1 281.403 3.767 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000779082248 1128724596 /nfs/dbraw/zinc/72/45/96/1128724596.db2.gz PKLCPNSHPJREOP-MLGOLLRUSA-N 0 1 297.402 3.815 20 0 CHADMN c1cc2ccc(NCc3ccc4nc[nH]c4c3)cc2o1 ZINC000578719130 1128727801 /nfs/dbraw/zinc/72/78/01/1128727801.db2.gz YIWHQFJATUGTKP-UHFFFAOYSA-N 0 1 263.300 3.921 20 0 CHADMN CCS[C@@H]1CC[C@H](N(C)Cc2cnc(Cl)s2)C1 ZINC000175457760 1128730694 /nfs/dbraw/zinc/73/06/94/1128730694.db2.gz NABDWLMLIGTJHB-VHSXEESVSA-N 0 1 290.885 3.903 20 0 CHADMN CCS[C@H]1CC[C@H](N(C)Cc2cnc(Cl)s2)C1 ZINC000175457780 1128730886 /nfs/dbraw/zinc/73/08/86/1128730886.db2.gz NABDWLMLIGTJHB-UWVGGRQHSA-N 0 1 290.885 3.903 20 0 CHADMN CN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)C(C)(C)C ZINC000578871446 1128732125 /nfs/dbraw/zinc/73/21/25/1128732125.db2.gz IMRKGXYFKZBGND-UHFFFAOYSA-N 0 1 291.782 3.601 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H]2CCCc3cn[nH]c32)cs1 ZINC000274492995 1117744755 /nfs/dbraw/zinc/74/47/55/1117744755.db2.gz SXUYVYCJNSUIEO-JQWIXIFHSA-N 0 1 290.436 3.718 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CC[S@@](=O)CC[C@@H]1C ZINC000361109027 1117747769 /nfs/dbraw/zinc/74/77/69/1117747769.db2.gz DINOPXNONZERKE-BXWFABGCSA-N 0 1 285.497 3.602 20 0 CHADMN COc1ccc(C[N@@H+](C)Cc2c(O)cccc2Cl)cc1 ZINC000159862721 1128733297 /nfs/dbraw/zinc/73/32/97/1128733297.db2.gz MVDXMEXQKHAVFO-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN COc1ccc(C[N@H+](C)Cc2c([O-])cccc2Cl)cc1 ZINC000159862721 1128733300 /nfs/dbraw/zinc/73/33/00/1128733300.db2.gz MVDXMEXQKHAVFO-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN COc1ccc(C[N@@H+](C)Cc2c([O-])cccc2Cl)cc1 ZINC000159862721 1128733302 /nfs/dbraw/zinc/73/33/02/1128733302.db2.gz MVDXMEXQKHAVFO-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN COc1ccc(CN(C)Cc2c(O)cccc2Cl)cc1 ZINC000159862721 1128733305 /nfs/dbraw/zinc/73/33/05/1128733305.db2.gz MVDXMEXQKHAVFO-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN CCOc1cc2c(cc1OCC)C[N@@H+](CC[C@@H](C)F)CC2 ZINC000351864663 1117749647 /nfs/dbraw/zinc/74/96/47/1117749647.db2.gz SRWADILDKKXLMZ-CYBMUJFWSA-N 0 1 295.398 3.590 20 0 CHADMN CCN(CC)c1ncc(CN[C@@H](C)c2ccsc2)s1 ZINC000061361461 1117750361 /nfs/dbraw/zinc/75/03/61/1117750361.db2.gz NVTPYVDFBRVIQD-NSHDSACASA-N 0 1 295.477 3.902 20 0 CHADMN CC[C@H](C)N1CCN(C(=O)C[C@H]2CCCC(C)(C)C2)CC1 ZINC000622657554 1117753620 /nfs/dbraw/zinc/75/36/20/1117753620.db2.gz CWGCRDDFPOVELT-JKSUJKDBSA-N 0 1 294.483 3.536 20 0 CHADMN CC[C@@H](C)N1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 ZINC000622657564 1117753699 /nfs/dbraw/zinc/75/36/99/1117753699.db2.gz CZZVWDLWBHLUFT-OAHLLOKOSA-N 0 1 294.483 3.536 20 0 CHADMN CC[C@H](C)N1CCN(C(=O)C[C@@H](C)C2CCCCC2)CC1 ZINC000622658447 1117753762 /nfs/dbraw/zinc/75/37/62/1117753762.db2.gz XZGOZJKWJCESEQ-CVEARBPZSA-N 0 1 294.483 3.536 20 0 CHADMN C[C@H](Cc1ccsc1)N1CCO[C@@H](c2ccccc2)C1 ZINC000578932463 1128733852 /nfs/dbraw/zinc/73/38/52/1128733852.db2.gz PSTRDBWVVYECSO-RHSMWYFYSA-N 0 1 287.428 3.753 20 0 CHADMN CC[C@H](NC[C@@H](O)c1cc(C)cc(C)c1)c1nccs1 ZINC000185077377 1117759009 /nfs/dbraw/zinc/75/90/09/1117759009.db2.gz RYMXFKFMZTXOLT-LSDHHAIUSA-N 0 1 290.432 3.534 20 0 CHADMN COC(=O)c1ccc(CN[C@H](c2ccccc2)C(C)C)o1 ZINC000035046580 1117763054 /nfs/dbraw/zinc/76/30/54/1117763054.db2.gz MWSCACLQBGWFCK-INIZCTEOSA-N 0 1 287.359 3.553 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cccnc1)CCS2 ZINC000035043427 1117763547 /nfs/dbraw/zinc/76/35/47/1117763547.db2.gz CSBUGXRACYQPCK-AWEZNQCLSA-N 0 1 274.364 3.547 20 0 CHADMN Fc1ccccc1CNCc1c[nH]nc1-c1cccs1 ZINC000035052613 1117764807 /nfs/dbraw/zinc/76/48/07/1117764807.db2.gz SEXLNNXZEMMZDX-UHFFFAOYSA-N 0 1 287.363 3.567 20 0 CHADMN C[C@@H](N[C@@H]1CCCSC1)c1nc(C(F)(F)F)cs1 ZINC000274601746 1117766933 /nfs/dbraw/zinc/76/69/33/1117766933.db2.gz LQDLLERXVQZHLH-HTQZYQBOSA-N 0 1 296.383 3.708 20 0 CHADMN Cn1ccc(CNC(C)(C)c2cccc(Cl)c2F)c1 ZINC000274612404 1117768193 /nfs/dbraw/zinc/76/81/93/1117768193.db2.gz UAELDDIZGAGBQV-UHFFFAOYSA-N 0 1 280.774 3.843 20 0 CHADMN Cc1sccc1CN[C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000339401726 1117772745 /nfs/dbraw/zinc/77/27/45/1117772745.db2.gz XGQOOBDBTWZYTA-RFAUZJTJSA-N 0 1 277.364 3.807 20 0 CHADMN Cc1sccc1CN[C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000339401724 1117773110 /nfs/dbraw/zinc/77/31/10/1117773110.db2.gz XGQOOBDBTWZYTA-PSLIRLAXSA-N 0 1 277.364 3.807 20 0 CHADMN Cc1noc([C@@H](C)N2CCC[C@@H](Cc3ccc(C)cc3)C2)n1 ZINC000622830057 1117775118 /nfs/dbraw/zinc/77/51/18/1117775118.db2.gz KUOFUMWFLVCQOU-PBHICJAKSA-N 0 1 299.418 3.702 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1ccccc1C1CC1 ZINC001139883597 1117775493 /nfs/dbraw/zinc/77/54/93/1117775493.db2.gz YIMCZOAVSSNSEO-QGZVFWFLSA-N 0 1 257.377 3.508 20 0 CHADMN Cc1csc2nc(C)nc(N[C@H]3CCCc4cn[nH]c43)c12 ZINC000274642267 1117777396 /nfs/dbraw/zinc/77/73/96/1117777396.db2.gz DLEBIMLRZOCUIP-NSHDSACASA-N 0 1 299.403 3.521 20 0 CHADMN CCC[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000578995312 1128735211 /nfs/dbraw/zinc/73/52/11/1128735211.db2.gz HWBYWYFEKDUAIU-SNVBAGLBSA-N 0 1 269.772 3.659 20 0 CHADMN CN(Cc1cn2ccccc2n1)C(C)(C)c1ccccc1 ZINC000671246041 1117784014 /nfs/dbraw/zinc/78/40/14/1117784014.db2.gz NGVWOJWBGKGYMK-UHFFFAOYSA-N 0 1 279.387 3.701 20 0 CHADMN Cc1cc(C(=O)CN(C)C(C)(C)c2ccccc2)c(C)[nH]1 ZINC000671246499 1117784648 /nfs/dbraw/zinc/78/46/48/1117784648.db2.gz TWUUIXKQQLNTEE-UHFFFAOYSA-N 0 1 284.403 3.681 20 0 CHADMN C[C@@H](c1ccncc1)N1CCC(CC(F)(F)F)CC1 ZINC000671253145 1117784804 /nfs/dbraw/zinc/78/48/04/1117784804.db2.gz GZXPWBOIUXLGJL-NSHDSACASA-N 0 1 272.314 3.807 20 0 CHADMN CCCN(CCC)C(=O)CN(C)C(C)(C)c1ccccc1 ZINC000671245481 1117785230 /nfs/dbraw/zinc/78/52/30/1117785230.db2.gz FOJUMEQKXMKUFX-UHFFFAOYSA-N 0 1 290.451 3.502 20 0 CHADMN Cc1ccccc1NC(=O)CN(C)C(C)(C)c1ccccc1 ZINC000671246871 1117785250 /nfs/dbraw/zinc/78/52/50/1117785250.db2.gz QSAHPIZXGRUXEB-UHFFFAOYSA-N 0 1 296.414 3.801 20 0 CHADMN Cc1ccc(-c2n[nH]c(SC/C=C/Cl)n2)cc1 ZINC000072645787 1117789959 /nfs/dbraw/zinc/78/99/59/1117789959.db2.gz PEKHHHFSBRTKDD-FARCUNLSSA-N 0 1 265.769 3.625 20 0 CHADMN Cc1cncc([C@@H](C)N[C@@H]2COc3c2ccc(C)c3C)c1 ZINC000274671053 1117798719 /nfs/dbraw/zinc/79/87/19/1117798719.db2.gz YAZRQWGIFDCSOP-RHSMWYFYSA-N 0 1 282.387 3.791 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(-n3cccn3)c(F)c2)o1 ZINC000339460646 1117799302 /nfs/dbraw/zinc/79/93/02/1117799302.db2.gz AIKHIDIDRJDGCW-CYBMUJFWSA-N 0 1 299.349 3.764 20 0 CHADMN C[C@@H](F)CCNCc1csc(COc2ccccc2)n1 ZINC000339481569 1117806437 /nfs/dbraw/zinc/80/64/37/1117806437.db2.gz DFNFOMISHAOYKL-GFCCVEGCSA-N 0 1 294.395 3.560 20 0 CHADMN C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000185327706 1117811291 /nfs/dbraw/zinc/81/12/91/1117811291.db2.gz NJZWDMLQTWVIHB-ZBEGNZNMSA-N 0 1 297.826 3.637 20 0 CHADMN Cc1cc(C[C@H](C)NC(=O)CCC2CCCCCC2)n[nH]1 ZINC000654923647 1117812782 /nfs/dbraw/zinc/81/27/82/1117812782.db2.gz CEAYYNYSWMHAIZ-ZDUSSCGKSA-N 0 1 291.439 3.516 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc3ccc(C)cc3o2)n[nH]1 ZINC000683159629 1117814631 /nfs/dbraw/zinc/81/46/31/1117814631.db2.gz FDBIPSHLKFWMLB-LBPRGKRZSA-N 0 1 269.348 3.624 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc3ccc(C)cc3o2)[nH]n1 ZINC000683159629 1117814639 /nfs/dbraw/zinc/81/46/39/1117814639.db2.gz FDBIPSHLKFWMLB-LBPRGKRZSA-N 0 1 269.348 3.624 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(OC(F)F)nc2)cc1F ZINC000623168675 1117820725 /nfs/dbraw/zinc/82/07/25/1117820725.db2.gz HBUJQOJFBUKZTF-UHFFFAOYSA-N 0 1 296.292 3.551 20 0 CHADMN CCc1ccc(NC(=O)[C@@H]2C[C@@H](C)Cc3cn[nH]c32)cc1C ZINC000623207619 1117823986 /nfs/dbraw/zinc/82/39/86/1117823986.db2.gz YJOMYUONHJFPDV-MEDUHNTESA-N 0 1 297.402 3.585 20 0 CHADMN Clc1cscc1CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000671309358 1117828574 /nfs/dbraw/zinc/82/85/74/1117828574.db2.gz XHJQBZLZOABDMJ-STQMWFEESA-N 0 1 271.813 3.545 20 0 CHADMN CC[C@H](NC(=O)C=CC1CCCC1)c1nc2ccccc2[nH]1 ZINC000843541430 1117829853 /nfs/dbraw/zinc/82/98/53/1117829853.db2.gz KJNDJBVMALZBNN-GETOMWPZSA-N 0 1 297.402 3.877 20 0 CHADMN CC[C@@H](NC(=O)C=CC1CCCC1)c1nc2ccccc2[nH]1 ZINC000843541428 1117830127 /nfs/dbraw/zinc/83/01/27/1117830127.db2.gz KJNDJBVMALZBNN-GCZGRYASSA-N 0 1 297.402 3.877 20 0 CHADMN CSc1ccccc1C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000579073799 1128737447 /nfs/dbraw/zinc/73/74/47/1128737447.db2.gz KCMQEYCBEZQEMO-OAHLLOKOSA-N 0 1 279.449 3.655 20 0 CHADMN CSc1ccccc1CN1CCO[C@@H](C(C)(C)C)C1 ZINC000579073799 1128737448 /nfs/dbraw/zinc/73/74/48/1128737448.db2.gz KCMQEYCBEZQEMO-OAHLLOKOSA-N 0 1 279.449 3.655 20 0 CHADMN Clc1cccc(C2CC(NCc3nccs3)C2)c1 ZINC000041012568 1117837467 /nfs/dbraw/zinc/83/74/67/1117837467.db2.gz QQCSDJWHBXPPFP-UHFFFAOYSA-N 0 1 278.808 3.832 20 0 CHADMN Cc1ccc(-c2nc(CNCc3ccccc3O)co2)cc1 ZINC000072927121 1117844217 /nfs/dbraw/zinc/84/42/17/1117844217.db2.gz MUSTYMVRBKJWTG-UHFFFAOYSA-N 0 1 294.354 3.645 20 0 CHADMN Cc1ccc(CN[C@@H](C)[C@@H](O)c2c(F)cccc2Cl)o1 ZINC000072923235 1117844277 /nfs/dbraw/zinc/84/42/77/1117844277.db2.gz NNBRQKJVONZVRA-ZUZCIYMTSA-N 0 1 297.757 3.592 20 0 CHADMN Clc1csc(CNc2cc3c(cn2)CCC3)c1 ZINC000339552658 1117847969 /nfs/dbraw/zinc/84/79/69/1117847969.db2.gz DRVRKOOKDHXHHT-UHFFFAOYSA-N 0 1 264.781 3.897 20 0 CHADMN CN(Cc1ccccc1F)C[C@H](O)c1ccc(Cl)cc1 ZINC000042668791 1117848780 /nfs/dbraw/zinc/84/87/80/1117848780.db2.gz RETNCCVUULWKRL-INIZCTEOSA-N 0 1 293.769 3.645 20 0 CHADMN CC(C)(C)[C@H](N[C@H]1CCn2ccnc21)c1ccccc1 ZINC000345356386 1117849725 /nfs/dbraw/zinc/84/97/25/1117849725.db2.gz UYJBKYRZVHRWHK-LSDHHAIUSA-N 0 1 269.392 3.705 20 0 CHADMN CC[C@H]1CCN1Cc1cnc(-c2ccsc2)s1 ZINC000430198068 1117851101 /nfs/dbraw/zinc/85/11/01/1117851101.db2.gz XNIDNKFSYDCTLB-NSHDSACASA-N 0 1 264.419 3.856 20 0 CHADMN Cc1ncsc1CNCc1csc(C(F)(F)F)c1 ZINC000623406188 1117852866 /nfs/dbraw/zinc/85/28/66/1117852866.db2.gz OAROADPRHKOIAB-UHFFFAOYSA-N 0 1 292.351 3.822 20 0 CHADMN CC(C)C[C@H]1CCC[N@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000623436013 1117855208 /nfs/dbraw/zinc/85/52/08/1117855208.db2.gz LEHUALYRYLWNRN-GOSISDBHSA-N 0 1 283.419 3.883 20 0 CHADMN CC(C)CC[N@@H+](Cc1ccn(-c2ccccc2)n1)C1CC1 ZINC000623433362 1117855454 /nfs/dbraw/zinc/85/54/54/1117855454.db2.gz WJYWSEYXKOWBMU-UHFFFAOYSA-N 0 1 283.419 3.883 20 0 CHADMN CC(C)CCN(Cc1ccn(-c2ccccc2)n1)C1CC1 ZINC000623433362 1117855458 /nfs/dbraw/zinc/85/54/58/1117855458.db2.gz WJYWSEYXKOWBMU-UHFFFAOYSA-N 0 1 283.419 3.883 20 0 CHADMN CCC(CC)c1cc(CNCc2cccc3n[nH]cc32)on1 ZINC000623431316 1117856100 /nfs/dbraw/zinc/85/61/00/1117856100.db2.gz AKNIPIWXDXWIMY-UHFFFAOYSA-N 0 1 298.390 3.744 20 0 CHADMN COCC[C@@H](NCc1ccc2cc[nH]c2c1)c1ccc(C)o1 ZINC000623486757 1117861615 /nfs/dbraw/zinc/86/16/15/1117861615.db2.gz HBJZGMHMKHHFQC-MRXNPFEDSA-N 0 1 298.386 3.937 20 0 CHADMN O=C(OCc1ccc(Cl)cc1)c1cccc2[nH]ncc21 ZINC000049004556 1128739385 /nfs/dbraw/zinc/73/93/85/1128739385.db2.gz UISIDWOQKAQJSA-UHFFFAOYSA-N 0 1 286.718 3.573 20 0 CHADMN Cc1ccc([C@@H](N[C@H](C)COC(C)C)c2ccccn2)cc1 ZINC000375592227 1117866685 /nfs/dbraw/zinc/86/66/85/1117866685.db2.gz REJKNVASGHOOAI-VQIMIIECSA-N 0 1 298.430 3.883 20 0 CHADMN CCOc1ccccc1CNCc1ccc(C)c(F)c1 ZINC000073052743 1117876461 /nfs/dbraw/zinc/87/64/61/1117876461.db2.gz LERJRNYGKAZHAO-UHFFFAOYSA-N 0 1 273.351 3.823 20 0 CHADMN C[C@H]([NH2+]C[C@]1(C)CCCS1)c1cc(Cl)ccc1[O-] ZINC000185724489 1117878005 /nfs/dbraw/zinc/87/80/05/1117878005.db2.gz XBJWVCIDAKMKTJ-HZMBPMFUSA-N 0 1 285.840 3.982 20 0 CHADMN c1c2cnccc2oc1CN[C@@H](c1ccccn1)C1CCC1 ZINC000623638650 1117879911 /nfs/dbraw/zinc/87/99/11/1117879911.db2.gz NPJHKQXHHXGLRE-GOSISDBHSA-N 0 1 293.370 3.854 20 0 CHADMN CC[C@H](CSc1ccc(Cl)cc1)NCc1cc[nH]n1 ZINC000177958436 1117882594 /nfs/dbraw/zinc/88/25/94/1117882594.db2.gz HCVUWYPWSWQUFL-GFCCVEGCSA-N 0 1 295.839 3.724 20 0 CHADMN CCCC(=O)Nc1ccc(CN[C@H](C)c2ccoc2)cc1 ZINC000178115637 1117886114 /nfs/dbraw/zinc/88/61/14/1117886114.db2.gz DWYWUDGTARXHER-CYBMUJFWSA-N 0 1 286.375 3.869 20 0 CHADMN F[C@@H]1CCC[C@H]1NCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000339586047 1117890527 /nfs/dbraw/zinc/89/05/27/1117890527.db2.gz FFZYOPIZHCHAFX-HUUCEWRRSA-N 0 1 293.773 3.506 20 0 CHADMN CC(C)(C(=O)Nc1cccc(Cl)c1O)c1ccccc1 ZINC000178358130 1117891712 /nfs/dbraw/zinc/89/17/12/1117891712.db2.gz IURYUBHFJKGLTI-UHFFFAOYSA-N 0 1 289.762 3.962 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccoc1)c1ccc2c(c1)OCCO2 ZINC000178481191 1117892422 /nfs/dbraw/zinc/89/24/22/1117892422.db2.gz CEYMHKXCEYRHAR-IUODEOHRSA-N 0 1 287.359 3.853 20 0 CHADMN CSc1ccc([C@H](C)N[C@H](CO)c2ccsc2)cc1 ZINC000349407281 1117898289 /nfs/dbraw/zinc/89/82/89/1117898289.db2.gz IZYCIRXASZJUQO-XHDPSFHLSA-N 0 1 293.457 3.854 20 0 CHADMN OC[C@@H](N[C@H]1CCCc2sccc21)c1ccsc1 ZINC000349411559 1117898829 /nfs/dbraw/zinc/89/88/29/1117898829.db2.gz KUXANQMCPUIYMA-QWHCGFSZSA-N 0 1 279.430 3.510 20 0 CHADMN CC[C@H](N[C@@H](CO)c1ccsc1)c1cccs1 ZINC000349427436 1117899252 /nfs/dbraw/zinc/89/92/52/1117899252.db2.gz XUGVDASAIFLWBW-RYUDHWBXSA-N 0 1 267.419 3.584 20 0 CHADMN Cc1cccc([C@H](NCc2cc3n(n2)CCC3)C(C)C)c1 ZINC000623731570 1117902468 /nfs/dbraw/zinc/90/24/68/1117902468.db2.gz CGNZFAJXMUXAAJ-GOSISDBHSA-N 0 1 283.419 3.625 20 0 CHADMN CC[C@H](C)CCC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000615282171 1128742800 /nfs/dbraw/zinc/74/28/00/1128742800.db2.gz YSQGHNHQUVHKMP-NSHDSACASA-N 0 1 287.363 3.547 20 0 CHADMN CC(C)N(Cc1cnn2c1CCC2)[C@@H](C)c1ccsc1 ZINC000668244967 1117904751 /nfs/dbraw/zinc/90/47/51/1117904751.db2.gz PABYWSRLYWHACS-ZDUSSCGKSA-N 0 1 289.448 3.862 20 0 CHADMN CCc1nocc1CN(C)CCc1ccccc1Cl ZINC000339602922 1117905910 /nfs/dbraw/zinc/90/59/10/1117905910.db2.gz YKTIPRFTARJCSW-UHFFFAOYSA-N 0 1 278.783 3.565 20 0 CHADMN CN(Cc1ccc(Cl)cc1)Cc1cccc2nccn21 ZINC000179568163 1117907896 /nfs/dbraw/zinc/90/78/96/1117907896.db2.gz LSKUVTBVHPLBPK-UHFFFAOYSA-N 0 1 285.778 3.620 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)Cc1cccc2nccn21 ZINC000179630779 1117908385 /nfs/dbraw/zinc/90/83/85/1117908385.db2.gz WUTRAVQKPGLZSW-CYBMUJFWSA-N 0 1 283.350 3.666 20 0 CHADMN CC[C@@H]1CCCCN1CC(=O)Nc1ccc(C)c(C)c1 ZINC000023991214 1117908446 /nfs/dbraw/zinc/90/84/46/1117908446.db2.gz RPUPJZORSWXXOF-MRXNPFEDSA-N 0 1 274.408 3.506 20 0 CHADMN Clc1ccc(CNCc2cnn(C3CCC3)c2)s1 ZINC000921502938 1117912650 /nfs/dbraw/zinc/91/26/50/1117912650.db2.gz PTMSYSUDTPWWKB-UHFFFAOYSA-N 0 1 281.812 3.613 20 0 CHADMN CSCCCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179831800 1117914194 /nfs/dbraw/zinc/91/41/94/1117914194.db2.gz YNVYFQPEVKRVBB-UHFFFAOYSA-N 0 1 299.346 3.582 20 0 CHADMN c1cc(Oc2ccccc2)oc1CN[C@H]1CO[C@@H](C2CC2)C1 ZINC000623753937 1117920843 /nfs/dbraw/zinc/92/08/43/1117920843.db2.gz GKEVCIBLJUBQOF-RHSMWYFYSA-N 0 1 299.370 3.729 20 0 CHADMN Cc1nc2c(o1)CC[N@H+]([C@H](C)C[C@@H](C)CC(C)C)C2 ZINC001258076659 1128744052 /nfs/dbraw/zinc/74/40/52/1128744052.db2.gz GTMJIAKJKWVZOI-QWHCGFSZSA-N 0 1 264.413 3.802 20 0 CHADMN Cc1nc2c(o1)CCN([C@H](C)C[C@@H](C)CC(C)C)C2 ZINC001258076659 1128744056 /nfs/dbraw/zinc/74/40/56/1128744056.db2.gz GTMJIAKJKWVZOI-QWHCGFSZSA-N 0 1 264.413 3.802 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(C)c(Cl)cn1 ZINC001238424176 1117925979 /nfs/dbraw/zinc/92/59/79/1117925979.db2.gz WRQOJYXBNGSWNQ-CYBMUJFWSA-N 0 1 252.789 3.808 20 0 CHADMN CC(C)C[C@@H]1C[C@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000351119866 1117926958 /nfs/dbraw/zinc/92/69/58/1117926958.db2.gz UHFKITSTDSOYPN-TZMCWYRMSA-N 0 1 282.347 3.534 20 0 CHADMN CC[C@H](CC(F)F)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000351206881 1117929873 /nfs/dbraw/zinc/92/98/73/1117929873.db2.gz JSHSLVQFDJGHBC-MRVPVSSYSA-N 0 1 292.289 3.762 20 0 CHADMN CC(C)n1ccn(CN2CCC[C@H](C)CC2)c1=S ZINC000748082229 1117932211 /nfs/dbraw/zinc/93/22/11/1117932211.db2.gz HEMJXWYCZAERME-ZDUSSCGKSA-N 0 1 267.442 3.679 20 0 CHADMN CC[C@@H](CCC(=O)OC)CN1Cc2cccc(Cl)c2C1 ZINC001208785774 1117934101 /nfs/dbraw/zinc/93/41/01/1117934101.db2.gz IOYOOXJDZLEZLP-LBPRGKRZSA-N 0 1 295.810 3.635 20 0 CHADMN Cc1c(CN(C)Cc2ccc(CC(C)C)cc2)cnn1C ZINC000579313968 1128745034 /nfs/dbraw/zinc/74/50/34/1128745034.db2.gz YVSKIFXLRADPEY-UHFFFAOYSA-N 0 1 285.435 3.559 20 0 CHADMN CC1=C[C@H](C)CN(Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000430257608 1117940149 /nfs/dbraw/zinc/94/01/49/1117940149.db2.gz ABERKTXHYRDNKZ-AWEZNQCLSA-N 0 1 295.386 3.667 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccccc1Nc1ccccc1 ZINC000180802948 1117940704 /nfs/dbraw/zinc/94/07/04/1117940704.db2.gz XWPPDGYKDHQIRH-UHFFFAOYSA-N 0 1 292.342 3.714 20 0 CHADMN CC[C@@H]1C[C@@H](NC2(c3c(F)cccc3F)CCC2)CO1 ZINC000623844355 1117944950 /nfs/dbraw/zinc/94/49/50/1117944950.db2.gz RZISTQPHNQPOFI-VXGBXAGGSA-N 0 1 281.346 3.501 20 0 CHADMN Cc1csc([C@H](C)N[C@@H](C)COc2cccc(C)c2)n1 ZINC000623870553 1117948943 /nfs/dbraw/zinc/94/89/43/1117948943.db2.gz DZSHFQZFVZFELN-JSGCOSHPSA-N 0 1 290.432 3.878 20 0 CHADMN FC[C@H]1CCCN1Cc1ccc(OCC(F)(F)F)cc1 ZINC000339658726 1117949345 /nfs/dbraw/zinc/94/93/45/1117949345.db2.gz DGWDSICVRPKTPC-GFCCVEGCSA-N 0 1 291.288 3.562 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(C(C)C)c2)[nH]n1 ZINC000623896109 1117949697 /nfs/dbraw/zinc/94/96/97/1117949697.db2.gz IKCSGJOPZVLAOC-CYBMUJFWSA-N 0 1 257.381 3.692 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1nccc(C)n1 ZINC000339660588 1117950709 /nfs/dbraw/zinc/95/07/09/1117950709.db2.gz ICOOPNDOILWASQ-KRWDZBQOSA-N 0 1 283.419 3.547 20 0 CHADMN Cc1occc1CN(C)C[C@H]1CCC2(CCCC2)O1 ZINC000579378579 1128746604 /nfs/dbraw/zinc/74/66/04/1128746604.db2.gz POPNBEUPYJOEBY-OAHLLOKOSA-N 0 1 263.381 3.512 20 0 CHADMN C[C@H](CN[C@@H](C)c1nc(C(C)(C)C)no1)c1ccccc1 ZINC000237605315 1128746638 /nfs/dbraw/zinc/74/66/38/1128746638.db2.gz GYPZOLDHPVGWON-OLZOCXBDSA-N 0 1 287.407 3.821 20 0 CHADMN CC(C)[C@]1(CO)CCCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000339700407 1117960689 /nfs/dbraw/zinc/96/06/89/1117960689.db2.gz JJWOIUHMQVWJPK-MRXNPFEDSA-N 0 1 299.817 3.710 20 0 CHADMN Cc1csc([C@@H](C)N[C@@H]2C[C@H]2c2ccccc2F)n1 ZINC000623999577 1117967896 /nfs/dbraw/zinc/96/78/96/1117967896.db2.gz VFANBBGSQKBRLF-SCDSUCTJSA-N 0 1 276.380 3.797 20 0 CHADMN Cc1ccc(CN2CCCC[C@H]2c2cc[nH]n2)cc1C ZINC000510136223 1117972265 /nfs/dbraw/zinc/97/22/65/1117972265.db2.gz VQAWARDTQQYKJA-KRWDZBQOSA-N 0 1 269.392 3.754 20 0 CHADMN C[C@@H](NCc1ccccc1N(C)C)c1ccc(Cl)cn1 ZINC000274937793 1117974088 /nfs/dbraw/zinc/97/40/88/1117974088.db2.gz SKLDLZYMDFTLSD-GFCCVEGCSA-N 0 1 289.810 3.652 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)N[C@@H](C)c1ccnn1C ZINC000232671987 1117974390 /nfs/dbraw/zinc/97/43/90/1117974390.db2.gz SKMIMRODZHMVIU-KGLIPLIRSA-N 0 1 287.407 3.619 20 0 CHADMN c1cnc2c(c1)cccc2CN1CCOC[C@@H]1CC1CCC1 ZINC000339769794 1117974535 /nfs/dbraw/zinc/97/45/35/1117974535.db2.gz SJTOPBZBEBUXBN-SFHVURJKSA-N 0 1 296.414 3.626 20 0 CHADMN C[C@H](Cc1coc2ccccc12)N[C@H](C)c1csnn1 ZINC000579447857 1128748216 /nfs/dbraw/zinc/74/82/16/1128748216.db2.gz FKIFTXGIMSJFFP-GHMZBOCLSA-N 0 1 287.388 3.566 20 0 CHADMN CCN(C)Cc1cc(F)c(OCc2ccccc2)cc1F ZINC001238511074 1117990323 /nfs/dbraw/zinc/99/03/23/1117990323.db2.gz LUOPOLAEYOOFJG-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000624144165 1117991630 /nfs/dbraw/zinc/99/16/30/1117991630.db2.gz IGBXZDFLFAHSNH-ZMYBRWDISA-N 0 1 296.414 3.967 20 0 CHADMN Cc1c(Cl)ccc(CN2CCC3(CCOC3)CC2)c1F ZINC001238512286 1117991740 /nfs/dbraw/zinc/99/17/40/1117991740.db2.gz MCTOBYARKRSFNN-UHFFFAOYSA-N 0 1 297.801 3.790 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2cc3ccccc3cn2)C1 ZINC001139994951 1117999874 /nfs/dbraw/zinc/99/98/74/1117999874.db2.gz FBXURVFCYUVDGC-QGZVFWFLSA-N 0 1 272.367 3.949 20 0 CHADMN CC(=O)OC(C)(C)CCCN(C)Cc1cccc(F)c1F ZINC001209159760 1118004522 /nfs/dbraw/zinc/00/45/22/1118004522.db2.gz XHNCPVAPIOJQCE-UHFFFAOYSA-N 0 1 299.361 3.519 20 0 CHADMN CCc1nc(CSc2cc(C)c3ccccc3n2)n[nH]1 ZINC000181720324 1118004567 /nfs/dbraw/zinc/00/45/67/1118004567.db2.gz FBRKTFXENIDDDE-UHFFFAOYSA-N 0 1 284.388 3.516 20 0 CHADMN Cc1cncc(CN[C@H]2CCSc3ccc(F)cc32)c1 ZINC000181844729 1118008790 /nfs/dbraw/zinc/00/87/90/1118008790.db2.gz DQJHSVUXMVFSED-HNNXBMFYSA-N 0 1 288.391 3.856 20 0 CHADMN CC(C)C[C@H](C)N(C)Cc1nc(-c2cccs2)no1 ZINC000045769862 1118014102 /nfs/dbraw/zinc/01/41/02/1118014102.db2.gz LMBHLDLSTPROGA-NSHDSACASA-N 0 1 279.409 3.665 20 0 CHADMN CC[C@H](NCc1csc(C2CCCC2)n1)[C@@H]1CCCO1 ZINC000182292838 1118019557 /nfs/dbraw/zinc/01/95/57/1118019557.db2.gz OZCAXKWKADCKKB-GJZGRUSLSA-N 0 1 294.464 3.848 20 0 CHADMN Fc1ccc2c(c1Cl)[C@H](N[C@@H]1CO[C@H](C3CC3)C1)CC2 ZINC000624224293 1118019799 /nfs/dbraw/zinc/01/97/99/1118019799.db2.gz RJDXITVFUPCNOQ-YUTCNCBUSA-N 0 1 295.785 3.624 20 0 CHADMN CCOc1ccc([C@H](C)NCc2cc(C)ccn2)cc1 ZINC000328077561 1118025420 /nfs/dbraw/zinc/02/54/20/1118025420.db2.gz FZEXFXSSFYURDE-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN Cc1cc([C@@H](C)NCC(=O)NCCC(C)(C)C)c(C)s1 ZINC000182744446 1118028900 /nfs/dbraw/zinc/02/89/00/1118028900.db2.gz ULFDYPIUIOVZHA-GFCCVEGCSA-N 0 1 296.480 3.568 20 0 CHADMN CC(C)c1nc(CN(C)CC2C[C@H](C)O[C@@H](C)C2)cs1 ZINC001209386725 1118033113 /nfs/dbraw/zinc/03/31/13/1118033113.db2.gz FBPIKHZWPQMDHD-STQMWFEESA-N 0 1 296.480 3.902 20 0 CHADMN CC(C)Cn1cc(CN(C)[C@@H](C)c2ccc(F)cc2)cn1 ZINC000183005138 1118035306 /nfs/dbraw/zinc/03/53/06/1118035306.db2.gz YYCVEYKZPDWPDD-AWEZNQCLSA-N 0 1 289.398 3.871 20 0 CHADMN CC(C)c1cnc(CN2CC[C@@H](C)[C@@H](C)C2)s1 ZINC000183081684 1118036961 /nfs/dbraw/zinc/03/69/61/1118036961.db2.gz JCGLLFONLPYPSD-NEPJUHHUSA-N 0 1 252.427 3.744 20 0 CHADMN CC(C)c1cnc(CN2C[C@H](C)CC[C@@H]2C)s1 ZINC000183082715 1118037210 /nfs/dbraw/zinc/03/72/10/1118037210.db2.gz RTNHVFFYEYRECZ-NEPJUHHUSA-N 0 1 252.427 3.887 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1ncc(C(C)C)s1 ZINC000183087805 1118038694 /nfs/dbraw/zinc/03/86/94/1118038694.db2.gz VNOCPXIGPVZHTI-LLVKDONJSA-N 0 1 272.483 3.840 20 0 CHADMN CC[C@@H](N[C@H]1COc2ccc(C)cc21)c1ccncc1 ZINC000579557153 1128751616 /nfs/dbraw/zinc/75/16/16/1128751616.db2.gz ZLZJHOCINHGAIG-CVEARBPZSA-N 0 1 268.360 3.564 20 0 CHADMN CCCc1nc(CN2CCCC[C@H]2CC)cs1 ZINC000045914192 1118039304 /nfs/dbraw/zinc/03/93/04/1118039304.db2.gz QKVZOZGVNOJRCE-CYBMUJFWSA-N 0 1 252.427 3.860 20 0 CHADMN Cc1nnc(CN[C@@H](c2ccccc2C)C(C)C)n1C1CC1 ZINC000183205257 1118040815 /nfs/dbraw/zinc/04/08/15/1118040815.db2.gz MQDASIRPJALWBN-GOSISDBHSA-N 0 1 298.434 3.717 20 0 CHADMN Cc1cc(C)cc([C@@H]2CCN(Cc3nnc(C(C)C)o3)C2)c1 ZINC000183465446 1118044757 /nfs/dbraw/zinc/04/47/57/1118044757.db2.gz CPWQSWIJPGEBPS-OAHLLOKOSA-N 0 1 299.418 3.799 20 0 CHADMN O[C@@H](CN[C@H](c1ccco1)c1ccccc1)C1CCCCC1 ZINC000183548346 1118045577 /nfs/dbraw/zinc/04/55/77/1118045577.db2.gz WBFUGSYPKQEPHQ-HKUYNNGSSA-N 0 1 299.414 3.900 20 0 CHADMN C[C@]1(CN[C@H](c2ccco2)c2ccccc2)CCCC[C@H]1O ZINC000183697764 1118047706 /nfs/dbraw/zinc/04/77/06/1118047706.db2.gz SFJIPNPNMKFRDU-CEXWTWQISA-N 0 1 299.414 3.900 20 0 CHADMN CCCOc1cccc(CN(C)Cc2ccncc2)c1 ZINC000183736535 1118048225 /nfs/dbraw/zinc/04/82/25/1118048225.db2.gz VGVLBZKEXVPVQJ-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN CC(C)COC[C@@H](N[C@@H]1C=CCCC1)c1ccco1 ZINC000184171278 1118052105 /nfs/dbraw/zinc/05/21/05/1118052105.db2.gz YHIAWEICGGFVMN-HUUCEWRRSA-N 0 1 263.381 3.692 20 0 CHADMN CCc1cccc(C)c1NC(=O)[C@H](C)N1CCCCCC1 ZINC000025407706 1118055648 /nfs/dbraw/zinc/05/56/48/1118055648.db2.gz FUYWJBPNOWBLKG-HNNXBMFYSA-N 0 1 288.435 3.760 20 0 CHADMN CCCC[C@H](NCc1nc([C@@H](C)OCC)no1)C1CCC1 ZINC000184869220 1118058535 /nfs/dbraw/zinc/05/85/35/1118058535.db2.gz UCLBVOLOLSVFDU-OCCSQVGLSA-N 0 1 295.427 3.616 20 0 CHADMN Cc1oncc1CN(C)Cc1cccc2ccccc21 ZINC000185188465 1118060264 /nfs/dbraw/zinc/06/02/64/1118060264.db2.gz UZMWVNCMYMGZMO-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCC[C@H]1c1cccc(C)n1 ZINC000375607856 1118074799 /nfs/dbraw/zinc/07/47/99/1118074799.db2.gz OOAGVVSUOJJOPT-SFHVURJKSA-N 0 1 298.434 3.813 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1csc(C2CC2)n1 ZINC000340172153 1118097006 /nfs/dbraw/zinc/09/70/06/1118097006.db2.gz ZNUDBYGVSUEVPA-CYBMUJFWSA-N 0 1 250.411 3.641 20 0 CHADMN CCOC(=O)c1ccsc1Nc1ccc2nc[nH]c2c1 ZINC001209841386 1118097575 /nfs/dbraw/zinc/09/75/75/1118097575.db2.gz MLRQVYHOTXUMFT-UHFFFAOYSA-N 0 1 287.344 3.545 20 0 CHADMN C[C@H]1c2cccn2CCN1Cc1cccc2cccnc21 ZINC000025182658 1118097722 /nfs/dbraw/zinc/09/77/22/1118097722.db2.gz ROJNKZVFFNEJDR-AWEZNQCLSA-N 0 1 277.371 3.613 20 0 CHADMN C[C@H](NCc1cccnc1N(C)C)c1cccc(C2CC2)c1 ZINC000340176155 1118099568 /nfs/dbraw/zinc/09/95/68/1118099568.db2.gz ARYWLDFZXDMINK-AWEZNQCLSA-N 0 1 295.430 3.876 20 0 CHADMN CCCN(CCc1ccns1)Cc1ccc(F)cc1F ZINC001167237434 1118112285 /nfs/dbraw/zinc/11/22/85/1118112285.db2.gz FPLIAXZZGBQTLQ-UHFFFAOYSA-N 0 1 296.386 3.876 20 0 CHADMN c1nc(C2CC2)oc1CNc1ccc2cnccc2c1 ZINC000653466736 1118113209 /nfs/dbraw/zinc/11/32/09/1118113209.db2.gz UEZUERQKCHVQCI-UHFFFAOYSA-N 0 1 265.316 3.712 20 0 CHADMN Cc1nsc(C)c1CN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000653610378 1118119913 /nfs/dbraw/zinc/11/99/13/1118119913.db2.gz FLFOJLGBPHYPDQ-KWQFWETISA-N 0 1 292.370 3.923 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc2ccc(Cl)cc2n1 ZINC001209962268 1118120518 /nfs/dbraw/zinc/12/05/18/1118120518.db2.gz UJAVVEXWTLEJKO-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(C(F)(F)F)ccc1F ZINC001209966433 1118120791 /nfs/dbraw/zinc/12/07/91/1118120791.db2.gz ZFUOFVUSHZAXIH-UHFFFAOYSA-N 0 1 285.244 3.874 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(OC(F)(F)Cl)cc1 ZINC001209969417 1118122321 /nfs/dbraw/zinc/12/23/21/1118122321.db2.gz NETOGWWQQFFXEC-UHFFFAOYSA-N 0 1 299.708 3.884 20 0 CHADMN CCCOc1ccccc1Nc1cnc(N)cc1C ZINC001209971293 1118122845 /nfs/dbraw/zinc/12/28/45/1118122845.db2.gz WNJNSCXDMUDGNY-UHFFFAOYSA-N 0 1 257.337 3.505 20 0 CHADMN Cc1ccc(Br)c(Nc2cnc(N)cc2C)c1 ZINC001209970549 1118122973 /nfs/dbraw/zinc/12/29/73/1118122973.db2.gz XMLKVEVSMJGAMI-UHFFFAOYSA-N 0 1 292.180 3.787 20 0 CHADMN CCC[N@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)CC(C)C ZINC001167256602 1118123643 /nfs/dbraw/zinc/12/36/43/1118123643.db2.gz ZYHXCVZCFVOWSC-UHFFFAOYSA-N 0 1 299.418 3.717 20 0 CHADMN CCC[N@@H+](Cc1cc(=O)[n-]c(-c2ccccc2)n1)CC(C)C ZINC001167256602 1118123646 /nfs/dbraw/zinc/12/36/46/1118123646.db2.gz ZYHXCVZCFVOWSC-UHFFFAOYSA-N 0 1 299.418 3.717 20 0 CHADMN CCC[N@H+](Cc1cc(=O)[n-]c(-c2ccccc2)n1)CC(C)C ZINC001167256602 1118123648 /nfs/dbraw/zinc/12/36/48/1118123648.db2.gz ZYHXCVZCFVOWSC-UHFFFAOYSA-N 0 1 299.418 3.717 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(OCC(C)C)c(F)c1 ZINC001209971267 1118123906 /nfs/dbraw/zinc/12/39/06/1118123906.db2.gz VZZDITSOXODYMI-UHFFFAOYSA-N 0 1 289.354 3.890 20 0 CHADMN CC[C@H](NCc1nc(C(C)(C)C)cs1)[C@@H]1CCCCO1 ZINC000653876913 1118126751 /nfs/dbraw/zinc/12/67/51/1118126751.db2.gz JMAIQIBZBUBGQM-STQMWFEESA-N 0 1 296.480 3.878 20 0 CHADMN FCCCCO[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001209988724 1118129327 /nfs/dbraw/zinc/12/93/27/1118129327.db2.gz XKNBZMXOKBRYDG-HNNXBMFYSA-N 0 1 283.362 3.556 20 0 CHADMN Cc1conc1C[N@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC001167263974 1118131919 /nfs/dbraw/zinc/13/19/19/1118131919.db2.gz GZFANXQCAPWBJX-KRWDZBQOSA-N 0 1 284.403 3.746 20 0 CHADMN Cc1conc1CN1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC001167263974 1118131922 /nfs/dbraw/zinc/13/19/22/1118131922.db2.gz GZFANXQCAPWBJX-KRWDZBQOSA-N 0 1 284.403 3.746 20 0 CHADMN CC(C)c1csc(NC(=O)c2c(O)cccc2Cl)n1 ZINC000144217302 1118139758 /nfs/dbraw/zinc/13/97/58/1118139758.db2.gz SQBOJRARNYYNNK-UHFFFAOYSA-N 0 1 296.779 3.878 20 0 CHADMN COc1ccsc1CNC(C)(C)c1ccc(F)cc1 ZINC000765240879 1118140233 /nfs/dbraw/zinc/14/02/33/1118140233.db2.gz YTTOVNWZVYXANT-UHFFFAOYSA-N 0 1 279.380 3.921 20 0 CHADMN COc1ccc(CNCc2cccc(F)c2F)c(C)c1 ZINC000765270243 1118141612 /nfs/dbraw/zinc/14/16/12/1118141612.db2.gz LILFYUFYJCPTRO-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN C[C@H](NCc1nccc2ccccc21)c1cncs1 ZINC000765402719 1118149331 /nfs/dbraw/zinc/14/93/31/1118149331.db2.gz FOKKBCQKDMULMF-NSHDSACASA-N 0 1 269.373 3.542 20 0 CHADMN CCc1ncsc1Nc1cc2cn[nH]c2cc1C ZINC001210101108 1118153018 /nfs/dbraw/zinc/15/30/18/1118153018.db2.gz DUTRIBFKMSHAJK-UHFFFAOYSA-N 0 1 258.350 3.634 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccc2c(c1)CCO2 ZINC000765498857 1118157001 /nfs/dbraw/zinc/15/70/01/1118157001.db2.gz FJQUTLVMEHAFOW-NEPJUHHUSA-N 0 1 286.350 3.567 20 0 CHADMN C[C@H](c1cccc(O)c1)N(C)Cc1ccnc(Cl)c1 ZINC000171930121 1118159244 /nfs/dbraw/zinc/15/92/44/1118159244.db2.gz MQKROEKCMJGYKY-LLVKDONJSA-N 0 1 276.767 3.634 20 0 CHADMN C[C@@H](Nc1ccc(Cl)c(CN(C)C)c1)[C@@H]1CC1(F)F ZINC000639134552 1118161819 /nfs/dbraw/zinc/16/18/19/1118161819.db2.gz OCCCTPGLINSPTN-SKDRFNHKSA-N 0 1 288.769 3.857 20 0 CHADMN C[C@@H](Nc1ccc(Cl)c(CN(C)C)c1)[C@H]1CC1(F)F ZINC000639134549 1118161905 /nfs/dbraw/zinc/16/19/05/1118161905.db2.gz OCCCTPGLINSPTN-BXKDBHETSA-N 0 1 288.769 3.857 20 0 CHADMN C=CC[C@@H](C(=O)NOCc1ccc(F)cc1)c1ccccc1 ZINC000188111311 1128760107 /nfs/dbraw/zinc/76/01/07/1128760107.db2.gz XBKRUMZEDMPHFE-QGZVFWFLSA-N 0 1 299.345 3.733 20 0 CHADMN CCc1ccc(CNCc2cc(C)cnc2Cl)s1 ZINC000921534271 1118173431 /nfs/dbraw/zinc/17/34/31/1118173431.db2.gz KLECLXJRRPIVMM-UHFFFAOYSA-N 0 1 280.824 3.957 20 0 CHADMN C[C@@H]1CN(Cc2cccs2)Cc2ccccc2O1 ZINC000020450959 1118173896 /nfs/dbraw/zinc/17/38/96/1118173896.db2.gz GCSMWXGNUJUCRC-GFCCVEGCSA-N 0 1 259.374 3.531 20 0 CHADMN CCCCN(CC)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000022086199 1118175921 /nfs/dbraw/zinc/17/59/21/1118175921.db2.gz WKPWPJCZXJBJRJ-UHFFFAOYSA-N 0 1 285.391 3.647 20 0 CHADMN CCCN(Cc1ccccc1)C(=O)c1[nH]nc2ccccc21 ZINC000022745325 1118178428 /nfs/dbraw/zinc/17/84/28/1118178428.db2.gz RXQNBKUQKREMKV-UHFFFAOYSA-N 0 1 293.370 3.615 20 0 CHADMN CCC[C@H](N[C@@H]1CCCn2ccnc21)c1ccccc1 ZINC000655682672 1118183614 /nfs/dbraw/zinc/18/36/14/1118183614.db2.gz IILCWCLQAQXZPM-JKSUJKDBSA-N 0 1 269.392 3.849 20 0 CHADMN CC(C)[C@H](N[C@H]1CCCn2ccnc21)c1ccc(F)cc1 ZINC000655692052 1118185893 /nfs/dbraw/zinc/18/58/93/1118185893.db2.gz CVCTZFYSJBYAOJ-HOTGVXAUSA-N 0 1 287.382 3.844 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@@H](C)c2cncnc2C)cc1 ZINC000655695560 1118186467 /nfs/dbraw/zinc/18/64/67/1118186467.db2.gz MVRRMKMLEIEWEA-OCCSQVGLSA-N 0 1 285.391 3.596 20 0 CHADMN c1csc([C@@H](N[C@H]2CCCn3ccnc32)C2CC2)c1 ZINC000655698912 1118188085 /nfs/dbraw/zinc/18/80/85/1118188085.db2.gz YRPCJEYWMZSAQE-JSGCOSHPSA-N 0 1 273.405 3.520 20 0 CHADMN CCOc1cncc(CNCc2cc3ccccc3o2)c1 ZINC001648811458 1118188932 /nfs/dbraw/zinc/18/89/32/1118188932.db2.gz OSFKNHIUDRCGCP-UHFFFAOYSA-N 0 1 282.343 3.516 20 0 CHADMN CCCOc1ccc(CNCc2cnn(C3CCC3)c2)cc1 ZINC000921549762 1118190135 /nfs/dbraw/zinc/19/01/35/1118190135.db2.gz MKAIHFLFFHIHNF-UHFFFAOYSA-N 0 1 299.418 3.687 20 0 CHADMN COc1cccc2cc(CN[C@H](C)c3cncs3)oc21 ZINC000765689332 1118190257 /nfs/dbraw/zinc/19/02/57/1118190257.db2.gz HETRRDSXHOPSPJ-SNVBAGLBSA-N 0 1 288.372 3.749 20 0 CHADMN Cc1nc(F)ccc1CN[C@@H]1CSCc2ccccc21 ZINC000785436583 1118190442 /nfs/dbraw/zinc/19/04/42/1118190442.db2.gz BAZYSLCPFGPTFX-OAHLLOKOSA-N 0 1 288.391 3.607 20 0 CHADMN CC1(C)CO[C@H](CN[C@H](c2ccccc2)c2ccccn2)C1 ZINC000634686249 1118191937 /nfs/dbraw/zinc/19/19/37/1118191937.db2.gz GNXZZQZYDFSTPY-FUHWJXTLSA-N 0 1 296.414 3.576 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@@H]1CCCn2ccnc21 ZINC000655720750 1118194212 /nfs/dbraw/zinc/19/42/12/1118194212.db2.gz FQMLPBMBSACVDR-CSMYWGQOSA-N 0 1 299.393 3.770 20 0 CHADMN C[C@H]1CCN(Cc2cc3ccccc3s2)CCC1=O ZINC001137681394 1118198113 /nfs/dbraw/zinc/19/81/13/1118198113.db2.gz UXTXWZCTMZHOCL-LBPRGKRZSA-N 0 1 273.401 3.702 20 0 CHADMN c1cn2c(n1)[C@H](N[C@H](CC1CC1)c1ccccc1)CCC2 ZINC000655744101 1118200081 /nfs/dbraw/zinc/20/00/81/1118200081.db2.gz WQFPEZMFGKXYNN-IAGOWNOFSA-N 0 1 281.403 3.849 20 0 CHADMN Cc1nc2cc(N[C@@H]3CC[C@@H](C)SC3)ccc2n1C ZINC000655752270 1118201799 /nfs/dbraw/zinc/20/17/99/1118201799.db2.gz PPQGLMOGHOIXRQ-ZWNOBZJWSA-N 0 1 275.421 3.578 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnn(CC3CCC3)c2)c(C)o1 ZINC000921617607 1118206303 /nfs/dbraw/zinc/20/63/03/1118206303.db2.gz PTCQFRACBOEGKY-CYBMUJFWSA-N 0 1 287.407 3.744 20 0 CHADMN C[C@H](N=c1ccc2ccccc2[nH]1)c1nc2c(s1)CCC2 ZINC000413389220 1118213105 /nfs/dbraw/zinc/21/31/05/1118213105.db2.gz AMQPTJJOEVYWEQ-NSHDSACASA-N 0 1 295.411 3.775 20 0 CHADMN CCN(CC(=O)N[C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000029912818 1118217110 /nfs/dbraw/zinc/21/71/10/1118217110.db2.gz LHXBGSNGIFRTTH-AWEZNQCLSA-N 0 1 296.414 3.501 20 0 CHADMN CCN(C(=O)c1cc(-c2ccccc2)[nH]n1)C1CCCCC1 ZINC000030476114 1118218739 /nfs/dbraw/zinc/21/87/39/1118218739.db2.gz CSHFXZMNWCTCDS-UHFFFAOYSA-N 0 1 297.402 3.872 20 0 CHADMN COc1c(C)cccc1CN[C@H](C)c1sc(C)nc1C ZINC000655810586 1118219707 /nfs/dbraw/zinc/21/97/07/1118219707.db2.gz MRAVMAWQNLKENU-LLVKDONJSA-N 0 1 290.432 3.928 20 0 CHADMN COc1c(C)cccc1CN[C@@H](C)c1ccc2c(c1)COC2 ZINC000655810564 1118220018 /nfs/dbraw/zinc/22/00/18/1118220018.db2.gz MKGPUTDWGLNAFX-AWEZNQCLSA-N 0 1 297.398 3.885 20 0 CHADMN COc1c(C)cccc1CN[C@@H]1CCCc2c(O)cccc21 ZINC000655810334 1118220269 /nfs/dbraw/zinc/22/02/69/1118220269.db2.gz CPSOFXBJZMNJQR-QGZVFWFLSA-N 0 1 297.398 3.876 20 0 CHADMN CCCCCCSc1nc(-c2ccccn2)n[nH]1 ZINC000196313861 1118220841 /nfs/dbraw/zinc/22/08/41/1118220841.db2.gz KOHPLLSWBHAULC-UHFFFAOYSA-N 0 1 262.382 3.539 20 0 CHADMN COc1c(C)cccc1CN[C@@H](C)c1ccccc1N(C)C ZINC000655813452 1118221639 /nfs/dbraw/zinc/22/16/39/1118221639.db2.gz YBJMDWDECWNATR-HNNXBMFYSA-N 0 1 298.430 3.920 20 0 CHADMN Cc1cccc(CN[C@@H](c2ccc(F)cc2)C2CC2)n1 ZINC000051575494 1118224901 /nfs/dbraw/zinc/22/49/01/1118224901.db2.gz JRRGOFIHBLQDDB-QGZVFWFLSA-N 0 1 270.351 3.770 20 0 CHADMN CC[C@H](NC(=O)c1cccc2nc(C)[nH]c21)c1cccs1 ZINC000338581316 1118226539 /nfs/dbraw/zinc/22/65/39/1118226539.db2.gz OUBAUPGOFGMZDQ-LBPRGKRZSA-N 0 1 299.399 3.814 20 0 CHADMN CCC[C@H]1CCCCN1Cc1cn2ccsc2n1 ZINC000185870768 1118227442 /nfs/dbraw/zinc/22/74/42/1118227442.db2.gz UHTJIWKBJDQTCM-ZDUSSCGKSA-N 0 1 263.410 3.550 20 0 CHADMN COc1c(C)cccc1CNCc1ccc(F)c(F)c1 ZINC000655830957 1118227705 /nfs/dbraw/zinc/22/77/05/1118227705.db2.gz ANIJELKGBXJRPV-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN Cc1noc(C)c1CN(C)Cc1cc(C)ccc1C ZINC000042132794 1118234173 /nfs/dbraw/zinc/23/41/73/1118234173.db2.gz QOOXFKFSTLCEJX-UHFFFAOYSA-N 0 1 258.365 3.540 20 0 CHADMN CC[C@@H](C)N(C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000104687483 1118236389 /nfs/dbraw/zinc/23/63/89/1118236389.db2.gz FQVOFDYDYWRZPS-SECBINFHSA-N 0 1 289.206 3.662 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@H]1NCc1noc2ccccc21 ZINC000655854504 1118242992 /nfs/dbraw/zinc/24/29/92/1118242992.db2.gz DNVGAXOICOGWIP-XIKOKIGWSA-N 0 1 278.355 3.851 20 0 CHADMN CCCCC[C@@H](NCc1nc([C@@H](C)OC)no1)C(C)(C)C ZINC000179922183 1128765477 /nfs/dbraw/zinc/76/54/77/1128765477.db2.gz VBSYBHDOLYFZQH-CHWSQXEVSA-N 0 1 297.443 3.862 20 0 CHADMN CCCCC[C@@H](NCc1nc([C@H](C)OC)no1)C(C)(C)C ZINC000179922213 1128765108 /nfs/dbraw/zinc/76/51/08/1128765108.db2.gz VBSYBHDOLYFZQH-QWHCGFSZSA-N 0 1 297.443 3.862 20 0 CHADMN C=Cc1ccc(CNc2cc(O[C@H]3CCOC3)ccn2)cc1 ZINC001168576259 1118248804 /nfs/dbraw/zinc/24/88/04/1118248804.db2.gz YJIODSVTTRMAHB-KRWDZBQOSA-N 0 1 296.370 3.504 20 0 CHADMN C[C@@H]1CCCCCN1Cc1ncc(C(C)(C)C)o1 ZINC000409445394 1118251853 /nfs/dbraw/zinc/25/18/53/1118251853.db2.gz PRTBRXFGSATFPU-GFCCVEGCSA-N 0 1 250.386 3.737 20 0 CHADMN CCC[C@@H]1CCCC[C@H]1CNC(=O)[C@H]1CCCCN1CC ZINC001648847335 1118254058 /nfs/dbraw/zinc/25/40/58/1118254058.db2.gz PEVWLDHYJRJQQB-IXDOHACOSA-N 0 1 294.483 3.584 20 0 CHADMN Fc1ccc([C@H](NC[C@H]2CCCC23CC3)c2ncc[nH]2)cc1 ZINC000624314461 1118254678 /nfs/dbraw/zinc/25/46/78/1118254678.db2.gz IVBSIXWLSQIHOW-ZBFHGGJFSA-N 0 1 299.393 3.808 20 0 CHADMN Fc1ccc(CNCc2cccc(C(F)(F)F)c2)cn1 ZINC000188963420 1128765812 /nfs/dbraw/zinc/76/58/12/1128765812.db2.gz VDEKRSAZEDATFV-UHFFFAOYSA-N 0 1 284.256 3.529 20 0 CHADMN Oc1cccc2c1CC[C@@H]2NCc1cc2ccccc2o1 ZINC000105487125 1118258719 /nfs/dbraw/zinc/25/87/19/1118258719.db2.gz QRGWVAANDZXEQY-INIZCTEOSA-N 0 1 279.339 3.916 20 0 CHADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C1(C)CC1 ZINC000615822903 1118266306 /nfs/dbraw/zinc/26/63/06/1118266306.db2.gz ZJBBWBPUJZDEMD-SECBINFHSA-N 0 1 291.782 3.536 20 0 CHADMN CN(Cc1ccc(Cl)nc1)[C@H]1CCc2ccc(F)cc21 ZINC000177635772 1118269635 /nfs/dbraw/zinc/26/96/35/1118269635.db2.gz DGCMDRDPRCLPSM-HNNXBMFYSA-N 0 1 290.769 3.993 20 0 CHADMN CC[C@H](CN(C)[C@H](C)c1nc(C)no1)c1ccccc1 ZINC000579979366 1118272389 /nfs/dbraw/zinc/27/23/89/1118272389.db2.gz WWFFDICKSIHVSV-TZMCWYRMSA-N 0 1 273.380 3.565 20 0 CHADMN COC[C@@H](NCC[C@H](C)F)c1cccc(Cl)c1F ZINC000340467338 1118273273 /nfs/dbraw/zinc/27/32/73/1118273273.db2.gz GZPLSKAKSULUPR-JOYOIKCWSA-N 0 1 277.742 3.504 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccc(F)nc1)CCS2 ZINC000188974080 1128767058 /nfs/dbraw/zinc/76/70/58/1128767058.db2.gz PMGYIISCCACYRR-ZDUSSCGKSA-N 0 1 292.354 3.687 20 0 CHADMN CCOc1cc2c(cc1OCC)CN(CC=C(C)C)CC2 ZINC000057622782 1118281689 /nfs/dbraw/zinc/28/16/89/1118281689.db2.gz HYJULNWSMTURGY-UHFFFAOYSA-N 0 1 289.419 3.808 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cccc(F)c1C)CC2 ZINC001204506060 1118282001 /nfs/dbraw/zinc/28/20/01/1118282001.db2.gz BYBLBXGJTHNXKO-UHFFFAOYSA-N 0 1 285.362 3.701 20 0 CHADMN CCCc1ccc([C@H](NCc2nccn2C)C(C)C)cc1 ZINC000057622360 1118282394 /nfs/dbraw/zinc/28/23/94/1118282394.db2.gz LHFZXJWHYZOSAW-GOSISDBHSA-N 0 1 285.435 3.860 20 0 CHADMN Cc1[nH]c(SC[C@H]2CCCO2)nc1Cc1ccccc1 ZINC000057650950 1118283425 /nfs/dbraw/zinc/28/34/25/1118283425.db2.gz PCANFXOCWRFEQF-CQSZACIVSA-N 0 1 288.416 3.580 20 0 CHADMN CCC[N@H+](Cc1ncc(C(C)(C)C)o1)CC1CC1 ZINC000058563097 1118289238 /nfs/dbraw/zinc/28/92/38/1118289238.db2.gz UNAZFYZOAIXCTC-UHFFFAOYSA-N 0 1 250.386 3.594 20 0 CHADMN CCCN(Cc1ncc(C(C)(C)C)o1)CC1CC1 ZINC000058563097 1118289243 /nfs/dbraw/zinc/28/92/43/1118289243.db2.gz UNAZFYZOAIXCTC-UHFFFAOYSA-N 0 1 250.386 3.594 20 0 CHADMN C=Cn1cc(CN(C)Cc2ccc(C(C)(C)C)cc2)cn1 ZINC000683696585 1118291946 /nfs/dbraw/zinc/29/19/46/1118291946.db2.gz QVTPBOXXFPXNIE-UHFFFAOYSA-N 0 1 283.419 3.913 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](n3ccnc3)C2)cc1Cl ZINC000683699250 1118292873 /nfs/dbraw/zinc/29/28/73/1118292873.db2.gz JNVUNKWPOOSTBL-OAHLLOKOSA-N 0 1 289.810 3.682 20 0 CHADMN C[C@H](CCc1ccsc1)NCc1nccc(C(F)F)n1 ZINC000348639082 1118298567 /nfs/dbraw/zinc/29/85/67/1118298567.db2.gz GBZLRHSKQVAMLT-SNVBAGLBSA-N 0 1 297.374 3.587 20 0 CHADMN CSc1ccc(CN[C@H]2COCc3ccccc32)cc1 ZINC000340500389 1118307642 /nfs/dbraw/zinc/30/76/42/1118307642.db2.gz GKJWAZNENQPTBH-KRWDZBQOSA-N 0 1 285.412 3.770 20 0 CHADMN CCC[C@@H](NC(=O)CN1CCCC[C@H]1C)c1ccccc1 ZINC000061758351 1118307687 /nfs/dbraw/zinc/30/76/87/1118307687.db2.gz MTMOVZVRPDCODU-NVXWUHKLSA-N 0 1 288.435 3.518 20 0 CHADMN Fc1cccnc1CN1CCC2(CCCCC2)CC1 ZINC001207025938 1118313867 /nfs/dbraw/zinc/31/38/67/1118313867.db2.gz AZXBGHXHBZPAMV-UHFFFAOYSA-N 0 1 262.372 3.767 20 0 CHADMN Cc1ccc(-c2noc(CN3CCC[C@@H](C)CC3)n2)cc1 ZINC000063309156 1118315159 /nfs/dbraw/zinc/31/51/59/1118315159.db2.gz MJEMDICYUABJDA-CYBMUJFWSA-N 0 1 285.391 3.667 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@H]1F)c1cnc2ccsc2c1 ZINC000340524411 1118315674 /nfs/dbraw/zinc/31/56/74/1118315674.db2.gz RKAGJDHXBVVPBS-MVWJERBFSA-N 0 1 264.369 3.838 20 0 CHADMN CC[C@H](N[C@H]1CCC[C@@H]1F)c1ccccc1OC ZINC000340523043 1118316033 /nfs/dbraw/zinc/31/60/33/1118316033.db2.gz MPJUGQVSNOFTTN-IHRRRGAJSA-N 0 1 251.345 3.627 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N(C)Cc1cccc(F)c1 ZINC000929210993 1128769413 /nfs/dbraw/zinc/76/94/13/1128769413.db2.gz TYVZWYADUSBAKW-NSHDSACASA-N 0 1 262.303 3.553 20 0 CHADMN CCc1ccc([C@H]2CCCN([C@H](C)c3nc(C)no3)C2)cc1 ZINC000671732816 1118321471 /nfs/dbraw/zinc/32/14/71/1118321471.db2.gz LANMDBCMAQGNHF-DYVFJYSZSA-N 0 1 299.418 3.881 20 0 CHADMN CN(CCC(F)(F)F)Cc1ccc(F)c2cccnc12 ZINC000064634846 1118327004 /nfs/dbraw/zinc/32/70/04/1118327004.db2.gz RIMSZYWBEMNQCT-UHFFFAOYSA-N 0 1 286.272 3.758 20 0 CHADMN Cc1c(NCc2ccc3nc[nH]c3c2)cnn1C1CCCC1 ZINC000580033168 1118328512 /nfs/dbraw/zinc/32/85/12/1118328512.db2.gz QAXABULXRODRGO-UHFFFAOYSA-N 0 1 295.390 3.795 20 0 CHADMN Fc1ccc2[nH]c(NCc3cccc4[nH]ccc43)[nH+]c2c1 ZINC000683752126 1118332652 /nfs/dbraw/zinc/33/26/52/1118332652.db2.gz YDAWYLYHXRDGED-UHFFFAOYSA-N 0 1 280.306 3.795 20 0 CHADMN CN(Cc1cccnc1Cl)CC1(c2ccccc2)CC1 ZINC000189317548 1128770762 /nfs/dbraw/zinc/77/07/62/1128770762.db2.gz TVOVHEUSCBKKBX-UHFFFAOYSA-N 0 1 286.806 3.899 20 0 CHADMN c1cc(-c2cc(-c3nc([C@@H]4CCC[C@H]5C[C@H]54)no3)[nH]n2)co1 ZINC000656047666 1118338367 /nfs/dbraw/zinc/33/83/67/1118338367.db2.gz PVXBUPMIDBGNQR-MVWJERBFSA-N 0 1 296.330 3.623 20 0 CHADMN COc1ccc(-c2nc(CN3CCC[C@H](C)C3)co2)cc1 ZINC000042737494 1118338532 /nfs/dbraw/zinc/33/85/32/1118338532.db2.gz VMGIDODVWQFETN-ZDUSSCGKSA-N 0 1 286.375 3.582 20 0 CHADMN Oc1ccc(Cl)cc1-c1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000656049731 1118340426 /nfs/dbraw/zinc/34/04/26/1118340426.db2.gz PSJUFARIJQKLLC-JMJZKYOTSA-N 0 1 290.750 3.999 20 0 CHADMN Cc1nnc(CN2CCC[C@@H]2c2cccc3ccccc32)o1 ZINC000066468803 1118345805 /nfs/dbraw/zinc/34/58/05/1118345805.db2.gz IXETZLZNTQLNSL-QGZVFWFLSA-N 0 1 293.370 3.868 20 0 CHADMN COCC[C@@H](NCc1ccc2cnccc2c1)c1ccco1 ZINC000683775090 1118355402 /nfs/dbraw/zinc/35/54/02/1118355402.db2.gz XERXXAFLXRMPEY-QGZVFWFLSA-N 0 1 296.370 3.695 20 0 CHADMN COc1cccc(CN[C@H]2CSc3ccccc32)c1 ZINC000083748674 1118359602 /nfs/dbraw/zinc/35/96/02/1118359602.db2.gz SXDUXCCPQQMGGQ-HNNXBMFYSA-N 0 1 271.385 3.632 20 0 CHADMN C[C@H](N[C@@H](c1ccco1)c1ccccc1)[C@H]1CCCCO1 ZINC000379226579 1128773171 /nfs/dbraw/zinc/77/31/71/1128773171.db2.gz MQUGJDCOTYJIMR-YXJHDRRASA-N 0 1 285.387 3.916 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nc(-c2ccc(F)cc2)no1 ZINC000072790543 1118376138 /nfs/dbraw/zinc/37/61/38/1118376138.db2.gz VFPFCMCKSQGDGC-CQSZACIVSA-N 0 1 289.354 3.640 20 0 CHADMN CCCCN(C)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000072862105 1118376543 /nfs/dbraw/zinc/37/65/43/1118376543.db2.gz CSPOQOXDWDCGIQ-GFCCVEGCSA-N 0 1 259.353 3.530 20 0 CHADMN CN(Cc1c(F)cccc1F)C1CCC(F)(F)CC1 ZINC000580110977 1118381937 /nfs/dbraw/zinc/38/19/37/1118381937.db2.gz KGLXTWJVHGCIEM-UHFFFAOYSA-N 0 1 275.289 3.975 20 0 CHADMN CC(C)[N@@H+](CCCCCC(=O)[O-])Cc1ccccc1 ZINC000083679387 1118382924 /nfs/dbraw/zinc/38/29/24/1118382924.db2.gz DBFUJXRENBNEMN-UHFFFAOYSA-N 0 1 263.381 3.542 20 0 CHADMN CC1(C)CCCN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000073362045 1118382631 /nfs/dbraw/zinc/38/26/31/1118382631.db2.gz PDILGMOWCIUMDB-UHFFFAOYSA-N 0 1 295.386 3.840 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2ccc3cnccc3c2)on1 ZINC000683826145 1118392519 /nfs/dbraw/zinc/39/25/19/1118392519.db2.gz CUZSJPGSBGBQDG-KRWDZBQOSA-N 0 1 293.370 3.868 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)C(C)(C)F)cc2[nH]1 ZINC000180106706 1128774461 /nfs/dbraw/zinc/77/44/61/1128774461.db2.gz OMYGTYZJXMLHGY-UHFFFAOYSA-N 0 1 277.343 3.547 20 0 CHADMN Cc1ccc(N(C)C(=O)c2ccc(O)c(Cl)c2)cc1 ZINC000050009634 1118397359 /nfs/dbraw/zinc/39/73/59/1118397359.db2.gz MUAKBKCJPBJTAE-UHFFFAOYSA-N 0 1 275.735 3.631 20 0 CHADMN CC(C)=CCN1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047797847 1118417781 /nfs/dbraw/zinc/41/77/81/1118417781.db2.gz AEOCCRZFDYOJMQ-UHFFFAOYSA-N 0 1 293.357 3.826 20 0 CHADMN CC1(C)C[C@@H](N[C@@H](CO)c2ccsc2)c2ccccc21 ZINC000349313153 1118419422 /nfs/dbraw/zinc/41/94/22/1118419422.db2.gz NNNIPHWLNOVPBE-CVEARBPZSA-N 0 1 287.428 3.794 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](CC)Cc1c[nH]c2ccccc12 ZINC000580319277 1118421341 /nfs/dbraw/zinc/42/13/41/1118421341.db2.gz DLMWCSSHKZRLJY-INIZCTEOSA-N 0 1 288.391 3.633 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccsc1)c1cccc(Cl)c1 ZINC000349315835 1118424991 /nfs/dbraw/zinc/42/49/91/1118424991.db2.gz VOCJQJMBUHSEDA-YGRLFVJLSA-N 0 1 281.808 3.786 20 0 CHADMN CCOc1cc(Nc2cc(Cl)c(O)c(Cl)c2)no1 ZINC001210927731 1118425275 /nfs/dbraw/zinc/42/52/75/1118425275.db2.gz XVZKRTVGGUIGGP-UHFFFAOYSA-N 0 1 289.118 3.829 20 0 CHADMN FC(F)(F)c1c[nH+]ccc1Nc1cccc([S-])c1 ZINC001210945928 1118428770 /nfs/dbraw/zinc/42/87/70/1118428770.db2.gz ZDVBUXBPWYCIBI-UHFFFAOYSA-N 0 1 270.279 3.555 20 0 CHADMN CCN(Cc1oc(C)nc1C)Cc1cccc(Cl)c1 ZINC000683897721 1118431510 /nfs/dbraw/zinc/43/15/10/1118431510.db2.gz AYZSUGQZFZNWOW-UHFFFAOYSA-N 0 1 278.783 3.967 20 0 CHADMN CC(C)[C@@H]1CCCCN1Cc1scnc1Cl ZINC001167405577 1118461380 /nfs/dbraw/zinc/46/13/80/1118461380.db2.gz GIIQYTOVTNPVQA-JTQLQIEISA-N 0 1 258.818 3.807 20 0 CHADMN COc1cc([C@H](C)N[C@@H](C)c2c(C)noc2C)ccc1F ZINC000153790428 1118463734 /nfs/dbraw/zinc/46/37/34/1118463734.db2.gz XQFWXZHCSLAMNN-UWVGGRQHSA-N 0 1 292.354 3.851 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1C(=O)c1cnc(C(C)C)[nH]1 ZINC000074225466 1118465714 /nfs/dbraw/zinc/46/57/14/1118465714.db2.gz ADWZNZLEFRTHNO-MRXNPFEDSA-N 0 1 297.402 3.819 20 0 CHADMN CC[C@H]1CCCN1Cc1cnc(Br)c(C)c1 ZINC001167412868 1118468130 /nfs/dbraw/zinc/46/81/30/1118468130.db2.gz RPVLASOXSSENMD-LBPRGKRZSA-N 0 1 283.213 3.527 20 0 CHADMN Cc1ccc([C@@H]2COCCN2C[C@H]2CCCC[C@H]2C)o1 ZINC001167412569 1118467890 /nfs/dbraw/zinc/46/78/90/1118467890.db2.gz NRIBRLQJYPOXKF-BMFZPTHFSA-N 0 1 277.408 3.788 20 0 CHADMN Cc1ccc([C@@H]2COCCN2C[C@H]2CCCC[C@@H]2C)o1 ZINC001167412571 1118468241 /nfs/dbraw/zinc/46/82/41/1118468241.db2.gz NRIBRLQJYPOXKF-IMJJTQAJSA-N 0 1 277.408 3.788 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1cnc(C)s1 ZINC000255590742 1118477874 /nfs/dbraw/zinc/47/78/74/1118477874.db2.gz VUHHFIWCIXOCSC-LCYFTJDESA-N 0 1 272.417 3.987 20 0 CHADMN Cc1nn(-c2ccccc2Cl)cc1C[N@H+](C)C1CCC1 ZINC000656252430 1118480090 /nfs/dbraw/zinc/48/00/90/1118480090.db2.gz AGUVJKQSYQTMOK-UHFFFAOYSA-N 0 1 289.810 3.818 20 0 CHADMN Cn1cncc1Nc1ccccc1-c1ccc(Cl)cn1 ZINC001211254260 1118489007 /nfs/dbraw/zinc/48/90/07/1118489007.db2.gz RWUPQYUTZSXMKO-UHFFFAOYSA-N 0 1 284.750 3.879 20 0 CHADMN c1c2ccccc2[nH]c1CN1CCC[C@H]1c1ccccn1 ZINC000684021380 1118490017 /nfs/dbraw/zinc/49/00/17/1118490017.db2.gz VAMYKLHMCUJLSX-SFHVURJKSA-N 0 1 277.371 3.900 20 0 CHADMN [O-]c1ccc(Cl)cc1C[NH2+]C/C=C/c1ccccc1 ZINC000238062183 1128781365 /nfs/dbraw/zinc/78/13/65/1128781365.db2.gz OSNZGJFLRAIVLO-QPJJXVBHSA-N 0 1 273.763 3.849 20 0 CHADMN C[C@H](Cc1ccc(F)cc1)N[C@H]1CCCCC1(F)F ZINC000398194035 1118498414 /nfs/dbraw/zinc/49/84/14/1118498414.db2.gz LAKOHSHGNUMTKH-RISCZKNCSA-N 0 1 271.326 3.924 20 0 CHADMN Cc1ccccc1[C@@H]1C[N@@H+](CCC2CCC2)[C@@H](C)CO1 ZINC001167437476 1118516808 /nfs/dbraw/zinc/51/68/08/1118516808.db2.gz GXRNOXCDBOOMGI-YJBOKZPZSA-N 0 1 273.420 3.947 20 0 CHADMN CCOc1ccc2nc(SC/C=C\Cl)[nH]c2c1 ZINC000050589907 1118521533 /nfs/dbraw/zinc/52/15/33/1118521533.db2.gz PSZANFVWTUNCFM-UTCJRWHESA-N 0 1 268.769 3.806 20 0 CHADMN CC[C@H](NCc1cccc(F)n1)c1ccsc1 ZINC000834689914 1118527797 /nfs/dbraw/zinc/52/77/97/1118527797.db2.gz UDUGQHPEFNPATN-LBPRGKRZSA-N 0 1 250.342 3.523 20 0 CHADMN Cc1cc(C)c(/C=C/c2nc(C3(N)CCC3)no2)cc1C ZINC000647140865 1118537847 /nfs/dbraw/zinc/53/78/47/1118537847.db2.gz SFXLVFYMMUSNLX-AATRIKPKSA-N 0 1 283.375 3.503 20 0 CHADMN Cc1ccc(-c2nnc(COc3cc(C)nc(C)c3)o2)cc1 ZINC000128134722 1118537859 /nfs/dbraw/zinc/53/78/59/1118537859.db2.gz WTIYKNATWLHHJV-UHFFFAOYSA-N 0 1 295.342 3.636 20 0 CHADMN Cc1cc(OCc2noc(-c3ccccc3C)n2)cc(C)n1 ZINC000128210379 1118540061 /nfs/dbraw/zinc/54/00/61/1118540061.db2.gz VZNHJBRRHNOCFD-UHFFFAOYSA-N 0 1 295.342 3.636 20 0 CHADMN CSCc1ccc(NC(=O)c2cccc3cn[nH]c32)cc1 ZINC000066778590 1118551517 /nfs/dbraw/zinc/55/15/17/1118551517.db2.gz BFEVZOLUTXHKCO-UHFFFAOYSA-N 0 1 297.383 3.678 20 0 CHADMN CCCN(Cc1ncc(Br)s1)CC(C)C ZINC000340954997 1118560934 /nfs/dbraw/zinc/56/09/34/1118560934.db2.gz RKANCFHNZFMPEZ-UHFFFAOYSA-N 0 1 291.258 3.774 20 0 CHADMN Fc1ccc(-c2ccc(-c3nc([C@H]4CCCN4)no3)o2)cc1 ZINC000647155045 1118567943 /nfs/dbraw/zinc/56/79/43/1118567943.db2.gz QETBFKVGSIAQBR-GFCCVEGCSA-N 0 1 299.305 3.560 20 0 CHADMN CCCCc1nc2ccc(NC(=O)[C@H]3CC3(C)C)cc2[nH]1 ZINC001125494389 1118573648 /nfs/dbraw/zinc/57/36/48/1118573648.db2.gz DDEWCPPRLPTANC-GFCCVEGCSA-N 0 1 285.391 3.890 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)Cc2ccc(O)cc2)o1 ZINC000349404114 1118574277 /nfs/dbraw/zinc/57/42/77/1118574277.db2.gz DYEKCQAGCFMHCF-WBMJQRKESA-N 0 1 271.360 3.741 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2ccc(O)cc2)o1 ZINC000349404114 1118574279 /nfs/dbraw/zinc/57/42/79/1118574279.db2.gz DYEKCQAGCFMHCF-WBMJQRKESA-N 0 1 271.360 3.741 20 0 CHADMN CC=CC=CC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000050955536 1118574617 /nfs/dbraw/zinc/57/46/17/1118574617.db2.gz QFBBTQKDIZMEQJ-MDAAKZFYSA-N 0 1 283.375 3.931 20 0 CHADMN CC(C)(C)C[C@@H](NCc1cnns1)c1ccccc1 ZINC000296353419 1118576229 /nfs/dbraw/zinc/57/62/29/1118576229.db2.gz RFTBPXFDVKXGCW-CQSZACIVSA-N 0 1 275.421 3.805 20 0 CHADMN CCn1ccnc1CN1CCCC[C@H]1CCc1ccccc1 ZINC000341004821 1118579312 /nfs/dbraw/zinc/57/93/12/1118579312.db2.gz CRVWQZBAOLFNRH-SFHVURJKSA-N 0 1 297.446 3.890 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1ccc(C(C)(C)C)cc1 ZINC000111692044 1118580966 /nfs/dbraw/zinc/58/09/66/1118580966.db2.gz WULWIBJFRWLABA-QGZVFWFLSA-N 0 1 273.420 3.928 20 0 CHADMN Cc1cnc(CN[C@@H]2CCC(C)(C)c3ccccc32)n1C ZINC000341015044 1118584725 /nfs/dbraw/zinc/58/47/25/1118584725.db2.gz NNRRBQDMBWZUBF-MRXNPFEDSA-N 0 1 283.419 3.631 20 0 CHADMN CCOCc1ccccc1CN[C@H]1CCCc2cccnc21 ZINC000316892248 1118592291 /nfs/dbraw/zinc/59/22/91/1118592291.db2.gz WPDRVDAYLHAVMP-SFHVURJKSA-N 0 1 296.414 3.785 20 0 CHADMN CCCCC[C@H](C(=O)N1C[C@H](C)N(CC)C[C@@H]1C)C(C)C ZINC001127595017 1128787743 /nfs/dbraw/zinc/78/77/43/1128787743.db2.gz OLPMGKYSPZMAPS-ULQDDVLXSA-N 0 1 296.499 3.780 20 0 CHADMN Clc1cc2ccccc2c(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000656560811 1118595605 /nfs/dbraw/zinc/59/56/05/1118595605.db2.gz IWTCQTYOCOLXPQ-AWEZNQCLSA-N 0 1 299.761 3.968 20 0 CHADMN CCO[C@H]1CCCN(Cc2ccc(C(F)F)c(F)c2)C1 ZINC000891399522 1118595759 /nfs/dbraw/zinc/59/57/59/1118595759.db2.gz KPHCTVIXPWKAKA-LBPRGKRZSA-N 0 1 287.325 3.764 20 0 CHADMN c1cn2c(CN3CC(C4CCC4)C3)c(C3CC3)nc2s1 ZINC000348667779 1118602709 /nfs/dbraw/zinc/60/27/09/1118602709.db2.gz DPSBNJDVJPZEIY-UHFFFAOYSA-N 0 1 287.432 3.505 20 0 CHADMN Cc1nccc(N2CCCc3occc3C2)c1Cl ZINC000341110261 1118602956 /nfs/dbraw/zinc/60/29/56/1118602956.db2.gz CNRHRSRAVDDVIP-UHFFFAOYSA-N 0 1 262.740 3.589 20 0 CHADMN CC[C@@H](C)CN(CC)Cc1ncc(Br)s1 ZINC000341196203 1118617670 /nfs/dbraw/zinc/61/76/70/1118617670.db2.gz WMHRUVDGNLLZTI-SECBINFHSA-N 0 1 291.258 3.774 20 0 CHADMN Cc1ccccc1CC1CN(Cc2n[nH]c3ccccc32)C1 ZINC000656648850 1118619508 /nfs/dbraw/zinc/61/95/08/1118619508.db2.gz HDEOVJCSBRNGSX-UHFFFAOYSA-N 0 1 291.398 3.546 20 0 CHADMN FC(F)(F)CC1CN(Cc2cc3ccccc3o2)C1 ZINC000656686832 1118636442 /nfs/dbraw/zinc/63/64/42/1118636442.db2.gz ZQOKTRLFOZUFPN-UHFFFAOYSA-N 0 1 269.266 3.817 20 0 CHADMN C[C@H](NCc1c(C2CCC2)cnn1C)c1cccc(F)c1 ZINC000656687959 1118638168 /nfs/dbraw/zinc/63/81/68/1118638168.db2.gz GTPXEMIHGAEGGI-LBPRGKRZSA-N 0 1 287.382 3.678 20 0 CHADMN CN(Cc1ccc(Cl)s1)C[C@@H](O)c1cccc(F)c1 ZINC000051125507 1118644468 /nfs/dbraw/zinc/64/44/68/1118644468.db2.gz BFDHODGUEFGWOI-CYBMUJFWSA-N 0 1 299.798 3.706 20 0 CHADMN O=C([O-])CCC[N@@H+](CCCC1CCC1)Cc1ccccc1 ZINC000656757030 1118650091 /nfs/dbraw/zinc/65/00/91/1118650091.db2.gz QWKRYUJDRWVPRP-UHFFFAOYSA-N 0 1 289.419 3.934 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000656756826 1118650283 /nfs/dbraw/zinc/65/02/83/1118650283.db2.gz HZRGLCZQTQYGHU-GHMZBOCLSA-N 0 1 281.783 3.659 20 0 CHADMN O=C([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000656762202 1118651127 /nfs/dbraw/zinc/65/11/27/1118651127.db2.gz APJAFIODDMYTAE-NSHDSACASA-N 0 1 299.773 3.610 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656760919 1118651149 /nfs/dbraw/zinc/65/11/49/1118651149.db2.gz KAAYSIOUMVPHRE-LSDHHAIUSA-N 0 1 267.413 3.532 20 0 CHADMN C[N@@H+](CC1(CC(=O)[O-])CC1)C1CC(C)(C)CC(C)(C)C1 ZINC000656760895 1118651270 /nfs/dbraw/zinc/65/12/70/1118651270.db2.gz JJXLUXVVMOYDJQ-UHFFFAOYSA-N 0 1 281.440 3.778 20 0 CHADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656761115 1118651285 /nfs/dbraw/zinc/65/12/85/1118651285.db2.gz MCBYBSGRCQJVAG-IRXDYDNUSA-N 0 1 287.403 3.715 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCCCC2)[C@@H]2CCCC[C@@H]12 ZINC000656764081 1118651705 /nfs/dbraw/zinc/65/17/05/1118651705.db2.gz JKCLNJLZUPTKSV-ARFHVFGLSA-N 0 1 279.424 3.532 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cc(F)cc2F)c1cncc(F)c1 ZINC000656772320 1118653691 /nfs/dbraw/zinc/65/36/91/1118653691.db2.gz VVZNNWAXVKBLKW-XXFAHNHDSA-N 0 1 292.304 3.837 20 0 CHADMN COCc1ccc(CNc2nccc(C)c2C2CC2)o1 ZINC000656778834 1118655769 /nfs/dbraw/zinc/65/57/69/1118655769.db2.gz CTRQDRPFQGRCSA-UHFFFAOYSA-N 0 1 272.348 3.619 20 0 CHADMN Cc1cnc(CNc2nccc(C)c2C2CC2)s1 ZINC000656778774 1118655991 /nfs/dbraw/zinc/65/59/91/1118655991.db2.gz AFCNEJADGZOWNK-UHFFFAOYSA-N 0 1 259.378 3.644 20 0 CHADMN CCc1ncc(CNc2nc(C)ccc2CC)s1 ZINC000656777974 1118656174 /nfs/dbraw/zinc/65/61/74/1118656174.db2.gz JFYRFIUVQFUCFT-UHFFFAOYSA-N 0 1 261.394 3.583 20 0 CHADMN COc1ncncc1CN[C@H](CC(C)(C)C)c1ccccc1 ZINC000647171572 1118660492 /nfs/dbraw/zinc/66/04/92/1118660492.db2.gz OFFPTEOBJSEDAR-MRXNPFEDSA-N 0 1 299.418 3.752 20 0 CHADMN COc1cc(Cl)ccc1CN1CCCC(F)(F)CC1 ZINC000625770435 1118662562 /nfs/dbraw/zinc/66/25/62/1118662562.db2.gz JWRDGSKOTLHQAA-UHFFFAOYSA-N 0 1 289.753 3.970 20 0 CHADMN c1nc(-c2ccccc2)oc1CNC1([C@@H]2CCCCO2)CC1 ZINC000933373910 1118673261 /nfs/dbraw/zinc/67/32/61/1118673261.db2.gz UFPOSXSLVYUWHR-INIZCTEOSA-N 0 1 298.386 3.533 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)CC1 ZINC000079054310 1118683042 /nfs/dbraw/zinc/68/30/42/1118683042.db2.gz IIRLWOKLTCQCCZ-LBPRGKRZSA-N 0 1 252.789 3.747 20 0 CHADMN CC(C)C1CN(Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000684408346 1118684855 /nfs/dbraw/zinc/68/48/55/1118684855.db2.gz IZETXOCIRAAXLH-UHFFFAOYSA-N 0 1 273.298 3.515 20 0 CHADMN COc1cc(CN2CC(C(C)C)C2)c(SC)cc1OC ZINC000684408209 1118684964 /nfs/dbraw/zinc/68/49/64/1118684964.db2.gz NPKIYQRZKHMWKO-UHFFFAOYSA-N 0 1 295.448 3.514 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1cnn(C2CCC2)c1 ZINC000891502848 1118696661 /nfs/dbraw/zinc/69/66/61/1118696661.db2.gz BBAAGGKLPSVEKZ-AWEZNQCLSA-N 0 1 269.392 3.801 20 0 CHADMN Cc1ccoc1CNCc1cccc(-c2ccccn2)c1 ZINC000130247329 1118697928 /nfs/dbraw/zinc/69/79/28/1118697928.db2.gz UZTDYBUWBNMPGI-UHFFFAOYSA-N 0 1 278.355 3.940 20 0 CHADMN Cc1cc(F)ncc1CN(C)[C@H](C)c1ccc(F)cc1 ZINC000891537312 1118704817 /nfs/dbraw/zinc/70/48/17/1118704817.db2.gz QSPAQJWLTWPKRL-GFCCVEGCSA-N 0 1 276.330 3.861 20 0 CHADMN COC[C@@H](C)N[C@H](C)c1cc(Cl)sc1Cl ZINC000131910612 1118773351 /nfs/dbraw/zinc/77/33/51/1118773351.db2.gz QSVZLVDMSLWAKH-RNFRBKRXSA-N 0 1 268.209 3.740 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cc2nc(C3CC3)no2)CC1 ZINC000341443330 1118708361 /nfs/dbraw/zinc/70/83/61/1118708361.db2.gz UITSUMZMTRSIBE-ZDUSSCGKSA-N 0 1 277.412 3.595 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cc2nc(C3CC3)no2)CC1 ZINC000341443329 1118708467 /nfs/dbraw/zinc/70/84/67/1118708467.db2.gz UITSUMZMTRSIBE-CYBMUJFWSA-N 0 1 277.412 3.595 20 0 CHADMN c1cn2cc(CN(Cc3ccccc3)C3CC3)sc2n1 ZINC000891560941 1118710029 /nfs/dbraw/zinc/71/00/29/1118710029.db2.gz GYGCNQJEGWVBGT-UHFFFAOYSA-N 0 1 283.400 3.560 20 0 CHADMN CCC(CC)[C@H](C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000341457101 1118710902 /nfs/dbraw/zinc/71/09/02/1118710902.db2.gz PAVVLWIZFRBRIO-WFASDCNBSA-N 0 1 296.480 3.539 20 0 CHADMN CC(C)N(Cc1ccco1)Cc1ccc(O)c(F)c1 ZINC000891584327 1118714104 /nfs/dbraw/zinc/71/41/04/1118714104.db2.gz NJNHQUQYYNQKAC-UHFFFAOYSA-N 0 1 263.312 3.535 20 0 CHADMN CCn1cc(CN2CCC[C@H]2c2cccc(F)c2)c(C)n1 ZINC000891617853 1118722043 /nfs/dbraw/zinc/72/20/43/1118722043.db2.gz LABUSKCKVLDMBS-KRWDZBQOSA-N 0 1 287.382 3.688 20 0 CHADMN Cn1ncc(CN2CCC[C@H]2c2ccsc2)c1C1CC1 ZINC000891618426 1118722699 /nfs/dbraw/zinc/72/26/99/1118722699.db2.gz RKACHGIXBSWLKZ-HNNXBMFYSA-N 0 1 287.432 3.696 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1cnn(C2CCC2)c1 ZINC000891639158 1118727841 /nfs/dbraw/zinc/72/78/41/1118727841.db2.gz CVDOVLCOADYQNB-LBPRGKRZSA-N 0 1 275.421 3.863 20 0 CHADMN CCCCOc1ccc(CNCc2ccc(C)cn2)cc1 ZINC000400839905 1118732404 /nfs/dbraw/zinc/73/24/04/1118732404.db2.gz WDJFUSLPXXDKNH-UHFFFAOYSA-N 0 1 284.403 3.859 20 0 CHADMN Cc1ccccc1CN[C@H]1CSc2ccccc21 ZINC000083748827 1118732564 /nfs/dbraw/zinc/73/25/64/1118732564.db2.gz FNLZLIOZHATFAQ-HNNXBMFYSA-N 0 1 255.386 3.932 20 0 CHADMN COc1ccc(CN2CCCC(C)(C)C2)c(Cl)c1OC ZINC000510490033 1118734124 /nfs/dbraw/zinc/73/41/24/1118734124.db2.gz KGEBASCIWPNNBR-UHFFFAOYSA-N 0 1 297.826 3.979 20 0 CHADMN CC(C)C[C@H]1CC[N@@H+](Cc2nc3cccnc3s2)C1 ZINC000341563972 1118741941 /nfs/dbraw/zinc/74/19/41/1118741941.db2.gz LEKMZQKPXQZWIY-GFCCVEGCSA-N 0 1 275.421 3.559 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H]2C[C@H]2CC(C)C)c(C)s1 ZINC000657038013 1118745032 /nfs/dbraw/zinc/74/50/32/1118745032.db2.gz KMVMAOJCMMXCBW-OASPWFOLSA-N 0 1 252.427 3.845 20 0 CHADMN Cc1oc2ccccc2c1CNCc1ccnn1CC(C)C ZINC000647202789 1118746284 /nfs/dbraw/zinc/74/62/84/1118746284.db2.gz QAHLIUGKKRHMTK-UHFFFAOYSA-N 0 1 297.402 3.884 20 0 CHADMN CC(C)N(C)Cc1ccc(Br)cc1Cl ZINC000131326876 1118760210 /nfs/dbraw/zinc/76/02/10/1118760210.db2.gz FSSCHTZHCXBBTA-UHFFFAOYSA-N 0 1 276.605 3.943 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)o1 ZINC000891796365 1118777307 /nfs/dbraw/zinc/77/73/07/1118777307.db2.gz MRPRDWVKIKGBCZ-MRXNPFEDSA-N 0 1 287.359 3.721 20 0 CHADMN CC1=C[C@H](C)CN(Cc2cc3c(cccc3F)[nH]2)C1 ZINC000430862398 1118778833 /nfs/dbraw/zinc/77/88/33/1118778833.db2.gz DRIKBMVSCBSOPS-NSHDSACASA-N 0 1 258.340 3.705 20 0 CHADMN COc1ccc(CN2CC(C)=C[C@H](C)C2)c(Cl)c1OC ZINC000430881895 1118781821 /nfs/dbraw/zinc/78/18/21/1118781821.db2.gz FQCIQLQMVNVFIU-NSHDSACASA-N 0 1 295.810 3.755 20 0 CHADMN Cc1cc(NC(=O)c2ccc3cncn3c2)ccc1C1CC1 ZINC000341671270 1118791935 /nfs/dbraw/zinc/79/19/35/1118791935.db2.gz BHDQIYXMOSUGQS-UHFFFAOYSA-N 0 1 291.354 3.772 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SC3CCC3)n2)o1 ZINC000430966900 1118795733 /nfs/dbraw/zinc/79/57/33/1118795733.db2.gz PZGMDTMUGLFNGL-BQYQJAHWSA-N 0 1 261.350 3.521 20 0 CHADMN CC(C)c1ccc2occ(C(=O)N(C)Cc3cnc[nH]3)c2c1 ZINC000616929078 1128802297 /nfs/dbraw/zinc/80/22/97/1128802297.db2.gz SFSFGASQEHUYRT-UHFFFAOYSA-N 0 1 297.358 3.552 20 0 CHADMN CCCCc1noc([C@@H](C)N[C@H]2CC3CCC2CC3)n1 ZINC000431089680 1118826705 /nfs/dbraw/zinc/82/67/05/1118826705.db2.gz ZUVONBBUKJNILK-RYSNWHEDSA-N 0 1 277.412 3.642 20 0 CHADMN COc1ccc(CN2CCC(C)(C)C2)cc1Br ZINC000091439765 1118828423 /nfs/dbraw/zinc/82/84/23/1118828423.db2.gz SAUYVUFSKGQAPY-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN Cc1nocc1CN[C@@H](CC(C)C)c1ccccc1 ZINC000293972849 1118839768 /nfs/dbraw/zinc/83/97/68/1118839768.db2.gz DENKZGSBKFROFF-INIZCTEOSA-N 0 1 258.365 3.860 20 0 CHADMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1nc(-c2cccc(C)c2)no1 ZINC000466904935 1118845476 /nfs/dbraw/zinc/84/54/76/1118845476.db2.gz PHPCBJLEMLLUDG-HIFRSBDPSA-N 0 1 285.391 3.665 20 0 CHADMN Nc1cc(Br)ccc1CN1CCC12CCCC2 ZINC000707667917 1118853856 /nfs/dbraw/zinc/85/38/56/1118853856.db2.gz MEQUUVHGEDVFHO-UHFFFAOYSA-N 0 1 295.224 3.550 20 0 CHADMN COC1CCC(CNc2cc[nH+]c3c([O-])cccc23)CC1 ZINC000684576827 1118862246 /nfs/dbraw/zinc/86/22/46/1118862246.db2.gz REPPSSVEPWYLJF-UHFFFAOYSA-N 0 1 286.375 3.558 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@H]1CCC(F)(F)C1 ZINC000684578590 1118864366 /nfs/dbraw/zinc/86/43/66/1118864366.db2.gz PEFLLVIORRGXIV-VIFPVBQESA-N 0 1 296.292 3.982 20 0 CHADMN [O-]c1cccc2c(N[C@H]3CCC(F)(F)C3)cc[nH+]c12 ZINC000684578813 1118866354 /nfs/dbraw/zinc/86/63/54/1118866354.db2.gz UBEXCTUGPCSWHV-VIFPVBQESA-N 0 1 264.275 3.540 20 0 CHADMN C[C@]1(CNc2cc[nH+]c3c([O-])cccc23)CCO[C@H]1C1CC1 ZINC000684583160 1118872795 /nfs/dbraw/zinc/87/27/95/1118872795.db2.gz SZZYXNVXWHSMPJ-ZWKOTPCHSA-N 0 1 298.386 3.558 20 0 CHADMN CCc1nnc(SCCc2ccc3ccccc3c2)[nH]1 ZINC000510980383 1118874312 /nfs/dbraw/zinc/87/43/12/1118874312.db2.gz WHZYPCSNYSQGJG-UHFFFAOYSA-N 0 1 283.400 3.855 20 0 CHADMN CCc1n[nH]c(SCCc2ccc3ccccc3c2)n1 ZINC000510980383 1118874316 /nfs/dbraw/zinc/87/43/16/1118874316.db2.gz WHZYPCSNYSQGJG-UHFFFAOYSA-N 0 1 283.400 3.855 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@@H](C)c2cscn2)C12CCCCC2 ZINC000535777749 1118884093 /nfs/dbraw/zinc/88/40/93/1118884093.db2.gz NNROWVSPRIBBCG-AEGPPILISA-N 0 1 294.464 3.922 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC000535776866 1118885337 /nfs/dbraw/zinc/88/53/37/1118885337.db2.gz GQWOSADSVJWFQV-NXEZZACHSA-N 0 1 295.789 3.933 20 0 CHADMN CN(Cc1ccc2nc[nH]c2c1)Cc1ccccc1Cl ZINC000535780350 1118888373 /nfs/dbraw/zinc/88/83/73/1118888373.db2.gz WWHXTUFXCRZNGM-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CCc1cc(C(=O)Nc2ccc3c(C)[nH]nc3c2)oc1CC ZINC000535819369 1118894259 /nfs/dbraw/zinc/89/42/59/1118894259.db2.gz LYRXKILPJOOQKV-UHFFFAOYSA-N 0 1 297.358 3.841 20 0 CHADMN CC(C)c1nc([C@@H](C)NCc2ccc(C3CC3)cc2)n[nH]1 ZINC000563111438 1118894873 /nfs/dbraw/zinc/89/48/73/1118894873.db2.gz HFMFDZNGQLTNAJ-GFCCVEGCSA-N 0 1 284.407 3.656 20 0 CHADMN Clc1ccc(CN[C@@H](c2cccnc2)C2CCC2)o1 ZINC000684612048 1118899637 /nfs/dbraw/zinc/89/96/37/1118899637.db2.gz PWLGMAIWFKSEGU-OAHLLOKOSA-N 0 1 276.767 3.959 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN1C[C@@H](C)S[C@H](C)C1 ZINC000535825480 1118902187 /nfs/dbraw/zinc/90/21/87/1118902187.db2.gz ZOEOISACLPOAQA-VXGBXAGGSA-N 0 1 295.496 3.581 20 0 CHADMN CC(C)[C@H]1C[N@H+]([C@@H](C)c2nc3ccccc3o2)CCS1 ZINC000181126216 1118903744 /nfs/dbraw/zinc/90/37/44/1118903744.db2.gz SQIMYAZVEZCODI-SWLSCSKDSA-N 0 1 290.432 3.962 20 0 CHADMN CC(C)[C@H]1CN([C@@H](C)c2nc3ccccc3o2)CCS1 ZINC000181126216 1118903747 /nfs/dbraw/zinc/90/37/47/1118903747.db2.gz SQIMYAZVEZCODI-SWLSCSKDSA-N 0 1 290.432 3.962 20 0 CHADMN COc1cc(Cl)ccc1CN(C)CCOC(C)(C)C ZINC000684618431 1118906716 /nfs/dbraw/zinc/90/67/16/1118906716.db2.gz PMPQTBDVRXYJSQ-UHFFFAOYSA-N 0 1 285.815 3.596 20 0 CHADMN Cc1ccccc1[C@@H](NCc1ccnc(C)n1)C(C)(C)C ZINC000684619550 1118907684 /nfs/dbraw/zinc/90/76/84/1118907684.db2.gz CUWBRUHYIXSAKY-QGZVFWFLSA-N 0 1 283.419 3.970 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@H+](C)Cc1c[nH]cn1 ZINC000684619932 1118908585 /nfs/dbraw/zinc/90/85/85/1118908585.db2.gz WVELSHLXDLPPGI-CYBMUJFWSA-N 0 1 265.360 3.756 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@@H+](C)Cc1c[nH]cn1 ZINC000684619932 1118908586 /nfs/dbraw/zinc/90/85/86/1118908586.db2.gz WVELSHLXDLPPGI-CYBMUJFWSA-N 0 1 265.360 3.756 20 0 CHADMN C[C@H](c1cccc2ccccc21)N(C)Cc1c[nH]cn1 ZINC000684619932 1118908589 /nfs/dbraw/zinc/90/85/89/1118908589.db2.gz WVELSHLXDLPPGI-CYBMUJFWSA-N 0 1 265.360 3.756 20 0 CHADMN CN(C)Cc1cccc(Nc2cccc(Cl)n2)c1F ZINC001216227316 1118911530 /nfs/dbraw/zinc/91/15/30/1118911530.db2.gz AUSQNXHPHHKSKV-UHFFFAOYSA-N 0 1 279.746 3.679 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc(Cl)nc2)c1F ZINC001216227495 1118911381 /nfs/dbraw/zinc/91/13/81/1118911381.db2.gz KPAHLCQHQVADRM-UHFFFAOYSA-N 0 1 279.746 3.679 20 0 CHADMN CC[C@H]1CN(Cc2ccc(Cl)cc2C)CCS1 ZINC001167499505 1118929360 /nfs/dbraw/zinc/92/93/60/1118929360.db2.gz JXNJCVRBPOOUKC-AWEZNQCLSA-N 0 1 269.841 3.976 20 0 CHADMN Cc1cnc(Cl)c(CN2CC[C@@H](c3ccco3)C2)c1 ZINC000892018858 1118938135 /nfs/dbraw/zinc/93/81/35/1118938135.db2.gz LGEDRMXWXQMRCR-GFCCVEGCSA-N 0 1 276.767 3.626 20 0 CHADMN CC(C)(C)c1coc(CN2CCC3(CCCC3)C2)n1 ZINC000892024700 1118939882 /nfs/dbraw/zinc/93/98/82/1118939882.db2.gz GINRBRRETCOBAM-UHFFFAOYSA-N 0 1 262.397 3.738 20 0 CHADMN COc1ccc([C@@H](C)Cn2c(C)nc3c2CCCC3)cc1 ZINC000657261617 1118942066 /nfs/dbraw/zinc/94/20/66/1118942066.db2.gz OUAFFRHKFXVDCP-ZDUSSCGKSA-N 0 1 284.403 3.883 20 0 CHADMN Fc1cc(F)c(CN2C[C@@H]3CCCC[C@@H]3C2)c(F)c1 ZINC001140529439 1118950879 /nfs/dbraw/zinc/95/08/79/1118950879.db2.gz CCGWKBJWFBXNPL-PHIMTYICSA-N 0 1 269.310 3.726 20 0 CHADMN CC[C@H]1C[C@H](C)CN1Cc1nc(C(C)(C)C)co1 ZINC000892069132 1118954990 /nfs/dbraw/zinc/95/49/90/1118954990.db2.gz XYGOTGJGQQZFLG-RYUDHWBXSA-N 0 1 250.386 3.593 20 0 CHADMN c1cc(CN[C@@H]2CCSc3ccccc32)n(CC2CC2)n1 ZINC000657292496 1118962114 /nfs/dbraw/zinc/96/21/14/1118962114.db2.gz OYGQKVYYAUZVAX-MRXNPFEDSA-N 0 1 299.443 3.620 20 0 CHADMN CCOc1ccc([C@H](C)NCc2ccnn2CC2CC2)cc1 ZINC000657294517 1118964241 /nfs/dbraw/zinc/96/42/41/1118964241.db2.gz AMMCWRSXAYCVCJ-AWEZNQCLSA-N 0 1 299.418 3.543 20 0 CHADMN CC(C)N(Cc1nc(C(C)(C)C)co1)C1CCC1 ZINC000892100026 1118965862 /nfs/dbraw/zinc/96/58/62/1118965862.db2.gz AMANLIDUWMBNMQ-UHFFFAOYSA-N 0 1 250.386 3.735 20 0 CHADMN COc1cc([C@H](C)NCc2coc3ccccc23)ccn1 ZINC000342302251 1118971071 /nfs/dbraw/zinc/97/10/71/1118971071.db2.gz UDIPCHBBSUXJLA-LBPRGKRZSA-N 0 1 282.343 3.687 20 0 CHADMN CCOc1cccc(CN[C@@H]2CCCc3ccc(C)cc32)n1 ZINC000342306667 1118971805 /nfs/dbraw/zinc/97/18/05/1118971805.db2.gz KRJNQDHMVCTBFX-GOSISDBHSA-N 0 1 296.414 3.956 20 0 CHADMN CCOc1ncccc1CNCc1cc2c(cccc2C)[nH]1 ZINC000657306486 1118977479 /nfs/dbraw/zinc/97/74/79/1118977479.db2.gz LHZOFFFPYSEISM-UHFFFAOYSA-N 0 1 295.386 3.560 20 0 CHADMN Cc1ccccc1Cc1noc([C@H]2CCCN2C(C)C)n1 ZINC000923773324 1118979556 /nfs/dbraw/zinc/97/95/56/1118979556.db2.gz JGMNOXPKLNWMOX-OAHLLOKOSA-N 0 1 285.391 3.514 20 0 CHADMN CSCCCCCNCc1nc(C(C)(C)C)co1 ZINC000724395312 1118987124 /nfs/dbraw/zinc/98/71/24/1118987124.db2.gz SNNDNVPETYCIQK-UHFFFAOYSA-N 0 1 270.442 3.595 20 0 CHADMN CC1(C)CN(Cc2nc(-c3ccoc3)no2)CC(C)(C)C1 ZINC000342355612 1118988952 /nfs/dbraw/zinc/98/89/52/1118988952.db2.gz OYGXFECMGPXIFC-UHFFFAOYSA-N 0 1 289.379 3.588 20 0 CHADMN CCn1cc(CN2CC[C@@H](C)C[C@H]2c2ccco2)c(C)n1 ZINC000892152330 1118989025 /nfs/dbraw/zinc/98/90/25/1118989025.db2.gz GOQQYRDXKNFGPD-CJNGLKHVSA-N 0 1 287.407 3.778 20 0 CHADMN C[C@@H]1CCCN(Cc2nc3ccc(F)cc3o2)[C@H]1C ZINC000342365923 1118992908 /nfs/dbraw/zinc/99/29/08/1118992908.db2.gz WVIQCTZVPUOXCW-MNOVXSKESA-N 0 1 262.328 3.587 20 0 CHADMN CN(CCOCC1CC1)Cc1ccc(C(F)F)c(F)c1 ZINC000892159580 1118994692 /nfs/dbraw/zinc/99/46/92/1118994692.db2.gz QFCLAFXRMWXCDR-UHFFFAOYSA-N 0 1 287.325 3.622 20 0 CHADMN CC(C)(C)c1coc(CNCCC2=CCCCC2)n1 ZINC000724407876 1118995523 /nfs/dbraw/zinc/99/55/23/1118995523.db2.gz LTIBDWQWOMVQIY-UHFFFAOYSA-N 0 1 262.397 3.952 20 0 CHADMN COCc1csc(CNCc2ccc([C@H]3C[C@H]3C)o2)c1 ZINC000657319461 1118997733 /nfs/dbraw/zinc/99/77/33/1118997733.db2.gz ZRUKNWLSKYDRAY-ABAIWWIYSA-N 0 1 291.416 3.901 20 0 CHADMN Oc1cccc(CNCc2cscc2C(F)(F)F)c1 ZINC000352836691 1118998591 /nfs/dbraw/zinc/99/85/91/1118998591.db2.gz WOLVRDFHYALZQK-UHFFFAOYSA-N 0 1 287.306 3.762 20 0 CHADMN C[C@H]1CCC[C@@H](NCc2nc(C(C)(C)C)co2)C1 ZINC000724427888 1118999368 /nfs/dbraw/zinc/99/93/68/1118999368.db2.gz CFRGNCHIOVJJSV-NWDGAFQWSA-N 0 1 250.386 3.640 20 0 CHADMN COC(=O)c1ccc(F)c(CN2C3CCCC2CCC3)c1 ZINC000611574150 1119001820 /nfs/dbraw/zinc/00/18/20/1119001820.db2.gz JLSMLYRZDSBLCW-UHFFFAOYSA-N 0 1 291.366 3.519 20 0 CHADMN COCc1csc(CN[C@H](C)c2cc(C)oc2C)c1 ZINC000657335090 1119007976 /nfs/dbraw/zinc/00/79/76/1119007976.db2.gz LEQBYXVJCLGWPP-LLVKDONJSA-N 0 1 279.405 3.955 20 0 CHADMN CC[C@H](NCc1cc(C(F)(F)F)nn1C)c1ccccc1 ZINC000657336186 1119008314 /nfs/dbraw/zinc/00/83/14/1119008314.db2.gz NMBXZPIYXKQKGF-ZDUSSCGKSA-N 0 1 297.324 3.680 20 0 CHADMN COc1cc(CN[C@H](c2ncccc2C)C(C)(C)C)ccn1 ZINC000934293079 1119011211 /nfs/dbraw/zinc/01/12/11/1119011211.db2.gz VFHBAQGEPGEIAQ-QGZVFWFLSA-N 0 1 299.418 3.671 20 0 CHADMN C/C(=C/C(C)(C)C)C(=O)Nc1cccc(Cl)c1O ZINC000588505727 1119014622 /nfs/dbraw/zinc/01/46/22/1119014622.db2.gz VDJNLIZVHHWQQO-HJWRWDBZSA-N 0 1 267.756 3.977 20 0 CHADMN CCc1cccc2cc(CN[C@@H](C)c3cn(C)nc3C)oc21 ZINC000657347009 1119016017 /nfs/dbraw/zinc/01/60/17/1119016017.db2.gz LDNIFHVFGFXLLG-LBPRGKRZSA-N 0 1 297.402 3.888 20 0 CHADMN Cn1cccc1[C@H]1CCCCN1Cc1cnn(C2CCC2)c1 ZINC000892194783 1119016889 /nfs/dbraw/zinc/01/68/89/1119016889.db2.gz YBXBCFDFVCNFNG-GOSISDBHSA-N 0 1 298.434 3.674 20 0 CHADMN C[C@H](NCc1cc[nH]c1)c1ccc(Br)cc1F ZINC000342428130 1119021022 /nfs/dbraw/zinc/02/10/22/1119021022.db2.gz ZRRXSCQXITZQIM-VIFPVBQESA-N 0 1 297.171 3.767 20 0 CHADMN Cc1cc(F)c(CN[C@@H]2CCC(F)(F)C2)c(F)c1 ZINC000643767541 1119023303 /nfs/dbraw/zinc/02/33/03/1119023303.db2.gz OPDLGFCCSONSSG-SECBINFHSA-N 0 1 261.262 3.551 20 0 CHADMN CC(C)c1nnc(CN[C@@H]2CCCC[C@H]2C(C)(C)C)o1 ZINC000108367082 1119025103 /nfs/dbraw/zinc/02/51/03/1119025103.db2.gz YEWXFKKSNHSFCD-CHWSQXEVSA-N 0 1 279.428 3.888 20 0 CHADMN CCN(Cc1cnc(C)o1)[C@H](C)c1cccc(OC)c1 ZINC000628139647 1128816500 /nfs/dbraw/zinc/81/65/00/1128816500.db2.gz MBEKONTWBDBHJQ-GFCCVEGCSA-N 0 1 274.364 3.575 20 0 CHADMN CC(C)(NCc1cc2ccncc2s1)c1nccs1 ZINC000657363126 1119028023 /nfs/dbraw/zinc/02/80/23/1119028023.db2.gz GSJPWEOBASHKOI-UHFFFAOYSA-N 0 1 289.429 3.778 20 0 CHADMN CC[C@@H]1C[C@H](N[C@H](C)c2ccc(F)cc2Cl)CO1 ZINC000657364926 1119031059 /nfs/dbraw/zinc/03/10/59/1119031059.db2.gz RXKWVWZZLDCQPI-ADEWGFFLSA-N 0 1 271.763 3.697 20 0 CHADMN Cc1cc(C[N@H+](C)[C@@H]2CCCc3ccccc32)oc1C(=O)[O-] ZINC000582186752 1119031638 /nfs/dbraw/zinc/03/16/38/1119031638.db2.gz OWJMGBROIOEKTA-MRXNPFEDSA-N 0 1 299.370 3.796 20 0 CHADMN COc1ccc(CN2CCCCC[C@@H]2c2ccco2)nc1 ZINC000342468458 1119041319 /nfs/dbraw/zinc/04/13/19/1119041319.db2.gz AQHGPAZCKUUMIJ-MRXNPFEDSA-N 0 1 286.375 3.801 20 0 CHADMN CCN(CCSc1ccccc1F)Cc1ccccn1 ZINC000119745395 1119051949 /nfs/dbraw/zinc/05/19/49/1119051949.db2.gz CHAMXKIISIPIHE-UHFFFAOYSA-N 0 1 290.407 3.835 20 0 CHADMN C[C@@H](N[C@H]1CCOC12CCCC2)c1nc2ccccc2o1 ZINC000934386876 1119055910 /nfs/dbraw/zinc/05/59/10/1119055910.db2.gz UBIYZBRIMPAHRJ-DOMZBBRYSA-N 0 1 286.375 3.580 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@@H](C)c1cnn(C)c1 ZINC000044497859 1119057192 /nfs/dbraw/zinc/05/71/92/1119057192.db2.gz FFZHMWUPKQQLRU-SWLSCSKDSA-N 0 1 287.407 3.686 20 0 CHADMN Cc1ccccc1[C@H]1CCN(Cc2ccn(C(C)C)n2)C1 ZINC000342507025 1119057731 /nfs/dbraw/zinc/05/77/31/1119057731.db2.gz CNBAIFIZLFDEIK-INIZCTEOSA-N 0 1 283.419 3.762 20 0 CHADMN CCc1ccc(CN[C@H](CCO)c2ccccc2F)s1 ZINC000647249667 1119063817 /nfs/dbraw/zinc/06/38/17/1119063817.db2.gz ICUQRYZGUVSEGK-MRXNPFEDSA-N 0 1 293.407 3.663 20 0 CHADMN C[C@H](c1ccccc1F)N(C)C(=O)c1[nH]nc2ccccc21 ZINC000045192950 1119067347 /nfs/dbraw/zinc/06/73/47/1119067347.db2.gz PICBFZGADUYDPV-LLVKDONJSA-N 0 1 297.333 3.535 20 0 CHADMN CC[C@H]1CCCN1Cc1cc(C)c(Br)cn1 ZINC000628152895 1128819527 /nfs/dbraw/zinc/81/95/27/1128819527.db2.gz RVOZNSRTNNMPKT-LBPRGKRZSA-N 0 1 283.213 3.527 20 0 CHADMN O=C(C[C@@H]1C=CCC1)Nc1ccccc1Nc1ccncc1 ZINC000684851245 1119069323 /nfs/dbraw/zinc/06/93/23/1119069323.db2.gz RYNHDALEAYHBQR-CQSZACIVSA-N 0 1 293.370 3.542 20 0 CHADMN CCc1cccc(C)c1NC(=O)c1cc(F)cc2[nH]cnc21 ZINC000127595806 1119071479 /nfs/dbraw/zinc/07/14/79/1119071479.db2.gz QMLRQOIKHDZWHD-UHFFFAOYSA-N 0 1 297.333 3.825 20 0 CHADMN CC(C)n1ccnc1CN[C@@H]1c2ccccc2CC[C@H]1C ZINC000657421669 1119074356 /nfs/dbraw/zinc/07/43/56/1119074356.db2.gz QPANJJFNKGVPEO-KDOFPFPSSA-N 0 1 283.419 3.877 20 0 CHADMN CC[C@@H]1C[C@@H](N[C@@H](c2cccc(C)c2)c2ccccn2)CO1 ZINC000657423114 1119074649 /nfs/dbraw/zinc/07/46/49/1119074649.db2.gz WSEHMLUATYEWGP-LMMKCTJWSA-N 0 1 296.414 3.637 20 0 CHADMN CC[C@H]1CCCN([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000159160662 1119083311 /nfs/dbraw/zinc/08/33/11/1119083311.db2.gz NUIDSKHWEDFQGC-GJZGRUSLSA-N 0 1 299.418 3.843 20 0 CHADMN CC[C@H](CC(F)(F)F)NCc1ccc(F)c(F)c1F ZINC000657434984 1119085721 /nfs/dbraw/zinc/08/57/21/1119085721.db2.gz NSCCBAGQRVJWGI-MRVPVSSYSA-N 0 1 285.231 3.925 20 0 CHADMN Cc1cc(CN2CCC[C@H]2C2CC2)ncc1Br ZINC000628163881 1128820952 /nfs/dbraw/zinc/82/09/52/1128820952.db2.gz WDLXRVHEQROEFS-AWEZNQCLSA-N 0 1 295.224 3.527 20 0 CHADMN C[C@@H]1CN(CCCOC(F)(F)F)[C@H]1c1ccccc1 ZINC001167576838 1119090843 /nfs/dbraw/zinc/09/08/43/1119090843.db2.gz OUJSRNMDVOFABK-DGCLKSJQSA-N 0 1 273.298 3.606 20 0 CHADMN CC[C@H]1CN(Cc2nc(C)c[nH]2)CC[C@H]1c1ccccc1 ZINC000628188829 1128825526 /nfs/dbraw/zinc/82/55/26/1128825526.db2.gz KWTNUDDMYQNGBE-DOTOQJQBSA-N 0 1 283.419 3.734 20 0 CHADMN Cc1nc(CN2CCC[C@H](C(C)(C)C)CC2)[nH]c1C ZINC000628176643 1128821459 /nfs/dbraw/zinc/82/14/59/1128821459.db2.gz RWPBAOMEQZXEFI-AWEZNQCLSA-N 0 1 263.429 3.675 20 0 CHADMN Cc1nccc(N2CC(c3nc4ccccc4[nH]3)C2)c1Cl ZINC000684892020 1119096840 /nfs/dbraw/zinc/09/68/40/1119096840.db2.gz ZMLFWWLJLXNBCV-UHFFFAOYSA-N 0 1 298.777 3.524 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342612626 1119101269 /nfs/dbraw/zinc/10/12/69/1119101269.db2.gz YFPBAAFPPPDGJT-XJKSGUPXSA-N 0 1 283.362 3.917 20 0 CHADMN CC(C)(C)c1cc(Nc2ncc(F)s2)ccn1 ZINC001213160659 1119108603 /nfs/dbraw/zinc/10/86/03/1119108603.db2.gz DHQFNOVIEYLIRW-UHFFFAOYSA-N 0 1 251.330 3.718 20 0 CHADMN Cc1ncsc1-c1ccc(CN[C@H](C)CF)cc1 ZINC000657467242 1119113921 /nfs/dbraw/zinc/11/39/21/1119113921.db2.gz YGEDYGRWEJOLCY-SNVBAGLBSA-N 0 1 264.369 3.566 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)Cc1ccc2c(c1)ncn2C ZINC000342681069 1119124221 /nfs/dbraw/zinc/12/42/21/1119124221.db2.gz NQSDQTSPQLYVKG-ZDUSSCGKSA-N 0 1 297.377 3.905 20 0 CHADMN CCC(C)(C)OCCNCc1cccc(OC2CC2)c1F ZINC000657489025 1119127177 /nfs/dbraw/zinc/12/71/77/1119127177.db2.gz JHTOTJDEHONFAA-UHFFFAOYSA-N 0 1 295.398 3.662 20 0 CHADMN Cc1nc(CN(C)CC(C)(C)c2ccc(C)cc2)[nH]c1C ZINC000628183411 1128823524 /nfs/dbraw/zinc/82/35/24/1128823524.db2.gz AHDHINQBUCVNOK-UHFFFAOYSA-N 0 1 285.435 3.745 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1nc(C)c(C)[nH]1 ZINC000628184136 1128823597 /nfs/dbraw/zinc/82/35/97/1128823597.db2.gz BHXIJEORWQBFNQ-KRWDZBQOSA-N 0 1 285.435 3.788 20 0 CHADMN CCN(CCOc1ccc(Cl)cc1)Cc1ccccn1 ZINC000342700104 1119131035 /nfs/dbraw/zinc/13/10/35/1119131035.db2.gz KUKSLGIOZFMKQD-UHFFFAOYSA-N 0 1 290.794 3.636 20 0 CHADMN CCCn1nccc1CNC1(c2cccc(C)c2)CCC1 ZINC000657498557 1119133220 /nfs/dbraw/zinc/13/32/20/1119133220.db2.gz HMKPQMARUQVPBI-UHFFFAOYSA-N 0 1 283.419 3.771 20 0 CHADMN CC[C@@H]1CCCCN1CC(=O)Nc1cccc(Cl)c1C ZINC000023991212 1119133606 /nfs/dbraw/zinc/13/36/06/1119133606.db2.gz JKTYHCMPURVNFY-CYBMUJFWSA-N 0 1 294.826 3.851 20 0 CHADMN CC[C@H](NCc1ccnn1CC1CC1)c1ccccc1F ZINC000657501142 1119134398 /nfs/dbraw/zinc/13/43/98/1119134398.db2.gz QLTCNJKJPINXGT-KRWDZBQOSA-N 0 1 287.382 3.673 20 0 CHADMN CCOc1ccccc1CN[C@H]1CCCc2cccnc21 ZINC000684953005 1119139617 /nfs/dbraw/zinc/13/96/17/1119139617.db2.gz DFEKGRAWVHECIC-INIZCTEOSA-N 0 1 282.387 3.648 20 0 CHADMN Cc1occc1CN[C@@H](C)c1ccnn1-c1ccccc1 ZINC000684954410 1119141553 /nfs/dbraw/zinc/14/15/53/1119141553.db2.gz CHYTYBGOFOTMOT-ZDUSSCGKSA-N 0 1 281.359 3.625 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2cccnc21)c1c(C)nn(C)c1C ZINC000684958207 1119142211 /nfs/dbraw/zinc/14/22/11/1119142211.db2.gz VMZXVHQCJVHVAJ-CVEARBPZSA-N 0 1 298.434 3.550 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H]1CCCc2cccnc21 ZINC000684958727 1119143138 /nfs/dbraw/zinc/14/31/38/1119143138.db2.gz UUIDVXRSYPKRDB-CZUORRHYSA-N 0 1 267.376 3.513 20 0 CHADMN CO[C@H]1CCC[C@H](Nc2ccc(Cl)c(CN(C)C)c2)C1 ZINC000684963069 1119144305 /nfs/dbraw/zinc/14/43/05/1119144305.db2.gz KMVOVLAISONULQ-ZFWWWQNUSA-N 0 1 296.842 3.771 20 0 CHADMN Cc1nn(C(C)C)cc1CN1C2CCCC1CCC2 ZINC000684964495 1119145344 /nfs/dbraw/zinc/14/53/44/1119145344.db2.gz BKQBEJCYTBPSTK-UHFFFAOYSA-N 0 1 261.413 3.679 20 0 CHADMN FC1(c2ccc(Cl)cc2)CCN(Cc2cn[nH]c2)CC1 ZINC000684967456 1119146074 /nfs/dbraw/zinc/14/60/74/1119146074.db2.gz MJZJRBZFNCYYBC-UHFFFAOYSA-N 0 1 293.773 3.524 20 0 CHADMN Cc1nc2ccc(NC(=O)C(C)(C)c3ccccc3)cc2[nH]1 ZINC000342738781 1119149783 /nfs/dbraw/zinc/14/97/83/1119149783.db2.gz JWKYYTPNOKPQDU-UHFFFAOYSA-N 0 1 293.370 3.788 20 0 CHADMN CC1(C)C[C@@H](NCc2ccc(F)c(Cl)c2Cl)CO1 ZINC000657530870 1119159036 /nfs/dbraw/zinc/15/90/36/1119159036.db2.gz OALPJQJBHRKZEK-SECBINFHSA-N 0 1 292.181 3.790 20 0 CHADMN Cc1ncc(CN[C@@H](c2ccc(F)cc2)C(C)C)o1 ZINC000628200660 1128826583 /nfs/dbraw/zinc/82/65/83/1128826583.db2.gz VULDFXNBJJOUHT-OAHLLOKOSA-N 0 1 262.328 3.609 20 0 CHADMN CCCCN(C)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000075589819 1119177289 /nfs/dbraw/zinc/17/72/89/1119177289.db2.gz YBFNRVULUBNUKG-UHFFFAOYSA-N 0 1 258.365 3.882 20 0 CHADMN CCc1cnc(CN2CCC[C@@H]2c2ccccc2C)o1 ZINC000075642818 1119178622 /nfs/dbraw/zinc/17/86/22/1119178622.db2.gz BMQQQWVFUIOZKK-MRXNPFEDSA-N 0 1 270.376 3.883 20 0 CHADMN COc1cc(CN2C[C@H](C)S[C@@H](C)C2)ccc1SC ZINC000075891444 1119180027 /nfs/dbraw/zinc/18/00/27/1119180027.db2.gz KPUNHKBLZBPRCI-RYUDHWBXSA-N 0 1 297.489 3.743 20 0 CHADMN CCCCN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000076199855 1119183997 /nfs/dbraw/zinc/18/39/97/1119183997.db2.gz PUHVXWOJGXFFLQ-OAHLLOKOSA-N 0 1 294.464 3.534 20 0 CHADMN CCCCN(CC)C(=O)CN1CCC[C@@H]1c1ccsc1 ZINC000076199855 1119183999 /nfs/dbraw/zinc/18/39/99/1119183999.db2.gz PUHVXWOJGXFFLQ-OAHLLOKOSA-N 0 1 294.464 3.534 20 0 CHADMN CCn1ccnc1CN1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000076293102 1119185027 /nfs/dbraw/zinc/18/50/27/1119185027.db2.gz YONXSNIOJXMCEK-SFHVURJKSA-N 0 1 297.446 3.666 20 0 CHADMN CSc1ccc(Cl)c(NCc2cn[nH]c2C)c1 ZINC000657563510 1119187214 /nfs/dbraw/zinc/18/72/14/1119187214.db2.gz JPDQUULSESYZDM-UHFFFAOYSA-N 0 1 267.785 3.706 20 0 CHADMN OCC[C@@H](Nc1ccnc2cc(F)ccc21)c1ccccc1 ZINC000077238177 1119191005 /nfs/dbraw/zinc/19/10/05/1119191005.db2.gz HYNYDWSOSVUMGV-MRXNPFEDSA-N 0 1 296.345 3.910 20 0 CHADMN C[C@@](O)(CNCc1c(F)cccc1Cl)c1ccsc1 ZINC000077460317 1119195590 /nfs/dbraw/zinc/19/55/90/1119195590.db2.gz PWOXBCXDBWBIFJ-CQSZACIVSA-N 0 1 299.798 3.538 20 0 CHADMN CCc1nc(S[C@H]2CCCc3ccccc32)n[nH]1 ZINC000077901849 1119198043 /nfs/dbraw/zinc/19/80/43/1119198043.db2.gz NMIBSEYASSNRIS-LBPRGKRZSA-N 0 1 259.378 3.537 20 0 CHADMN CCc1n[nH]c(S[C@H]2CCCc3ccccc32)n1 ZINC000077901849 1119198045 /nfs/dbraw/zinc/19/80/45/1119198045.db2.gz NMIBSEYASSNRIS-LBPRGKRZSA-N 0 1 259.378 3.537 20 0 CHADMN CC(C)n1cc(CNCc2ccc3occc3c2)cn1 ZINC000657584858 1119198449 /nfs/dbraw/zinc/19/84/49/1119198449.db2.gz JWPQOQFJUZGGKK-UHFFFAOYSA-N 0 1 269.348 3.500 20 0 CHADMN Clc1oc2ccccc2c1CN1CCC[C@]12CCOC2 ZINC000342843777 1119205175 /nfs/dbraw/zinc/20/51/75/1119205175.db2.gz YLAJTVNQTNHFEW-MRXNPFEDSA-N 0 1 291.778 3.841 20 0 CHADMN Clc1oc2ccccc2c1CN1CCC[C@@]12CCOC2 ZINC000342843774 1119205695 /nfs/dbraw/zinc/20/56/95/1119205695.db2.gz YLAJTVNQTNHFEW-INIZCTEOSA-N 0 1 291.778 3.841 20 0 CHADMN CCO[C@H]1C[C@H](NCc2cc(Cl)sc2Cl)C1 ZINC000657611581 1119206800 /nfs/dbraw/zinc/20/68/00/1119206800.db2.gz OWEKLOUQYQETDO-KYZUINATSA-N 0 1 280.220 3.712 20 0 CHADMN COC[C@@H](NCc1ccc(C)s1)c1cccc(OC)c1 ZINC000657612060 1119206958 /nfs/dbraw/zinc/20/69/58/1119206958.db2.gz RXDVEHYXZKSAOY-MRXNPFEDSA-N 0 1 291.416 3.542 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cnc3ccccc3n1)CC2 ZINC000628213354 1128829351 /nfs/dbraw/zinc/82/93/51/1128829351.db2.gz HTMMZLPTUZGERZ-QGZVFWFLSA-N 0 1 289.382 3.715 20 0 CHADMN CCn1nc(CNCc2cc(C)cc(C)c2)c2ccccc21 ZINC000657626159 1119212142 /nfs/dbraw/zinc/21/21/42/1119212142.db2.gz OYOIRTLWNRITOM-UHFFFAOYSA-N 0 1 293.414 3.963 20 0 CHADMN Cc1cc(C)cc(CNCc2cnc(C(C)(C)C)nc2)c1 ZINC000657625806 1119213474 /nfs/dbraw/zinc/21/34/74/1119213474.db2.gz IFJUIRHYJLTOPM-UHFFFAOYSA-N 0 1 283.419 3.681 20 0 CHADMN Cc1ccc([C@@H](NCc2cncc(C)c2)C2CCC2)o1 ZINC000349785766 1119219362 /nfs/dbraw/zinc/21/93/62/1119219362.db2.gz UROXRLVTJDMHGE-KRWDZBQOSA-N 0 1 270.376 3.922 20 0 CHADMN CN(Cc1ccc(C(F)(F)F)cc1)Cc1ccccn1 ZINC000078470926 1119226447 /nfs/dbraw/zinc/22/64/47/1119226447.db2.gz FGXKCKIJBVOUPE-UHFFFAOYSA-N 0 1 280.293 3.732 20 0 CHADMN C[C@@H]1CCC[C@@H](CNCc2c(F)cccc2Cl)O1 ZINC000657662371 1119229104 /nfs/dbraw/zinc/22/91/04/1119229104.db2.gz BDPZKXPLOYCBKT-MNOVXSKESA-N 0 1 271.763 3.526 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN(C(=O)C(C)(C)C)C3)[nH]c2c1 ZINC000120198375 1119232537 /nfs/dbraw/zinc/23/25/37/1119232537.db2.gz LVQKBMGJZCXACQ-ZDUSSCGKSA-N 0 1 299.418 3.623 20 0 CHADMN Cc1cccnc1[C@H](N[C@@H](C)c1cncc(F)c1)C(C)C ZINC000120610940 1119244117 /nfs/dbraw/zinc/24/41/17/1119244117.db2.gz AQNVDOZLLKRMSF-XJKSGUPXSA-N 0 1 287.382 3.972 20 0 CHADMN Oc1ccc2c(c1)[C@H](NCc1cc(F)c(F)c(F)c1)CC2 ZINC000657693113 1119250005 /nfs/dbraw/zinc/25/00/05/1119250005.db2.gz JMUJAPWXEMWULE-OAHLLOKOSA-N 0 1 293.288 3.587 20 0 CHADMN Oc1ccc2c(c1)[C@@H](NCc1cc(F)c(F)c(F)c1)CC2 ZINC000657693112 1119250184 /nfs/dbraw/zinc/25/01/84/1119250184.db2.gz JMUJAPWXEMWULE-HNNXBMFYSA-N 0 1 293.288 3.587 20 0 CHADMN CCOc1ccc(CCN(C)Cc2ncc(C)s2)cc1 ZINC000934722313 1119251738 /nfs/dbraw/zinc/25/17/38/1119251738.db2.gz QMTZJVWOFDFWON-UHFFFAOYSA-N 0 1 290.432 3.525 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnc(C)s1)c1c(C)noc1C ZINC000090887642 1119254053 /nfs/dbraw/zinc/25/40/53/1119254053.db2.gz SSCNUHBZDADIBJ-QPUJVOFHSA-N 0 1 279.409 3.858 20 0 CHADMN Cc1cc(-c2noc(CN(C(C)C)C3CC3)n2)ccc1F ZINC000121362987 1119261604 /nfs/dbraw/zinc/26/16/04/1119261604.db2.gz DHVJIQHHRVHRGU-UHFFFAOYSA-N 0 1 289.354 3.557 20 0 CHADMN CSCCCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000078958313 1119262777 /nfs/dbraw/zinc/26/27/77/1119262777.db2.gz JPTIADDJVMDQRW-CMDGGOBGSA-N 0 1 291.445 3.820 20 0 CHADMN c1cc(C2CCN(Cc3cnc(C4CC4)o3)CC2)cs1 ZINC000628241218 1128833169 /nfs/dbraw/zinc/83/31/69/1128833169.db2.gz MVZIUYGTTKFNFA-UHFFFAOYSA-N 0 1 288.416 3.993 20 0 CHADMN Cc1nc(CN[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)cs1 ZINC000657707128 1119263663 /nfs/dbraw/zinc/26/36/63/1119263663.db2.gz GOYNOLKLYYVTSR-ZIAGYGMSSA-N 0 1 294.464 3.667 20 0 CHADMN C[C@]1(CNCc2c(F)cc(F)c(F)c2F)CCCS1 ZINC000628254933 1128836719 /nfs/dbraw/zinc/83/67/19/1128836719.db2.gz VHABTCDVTFBJJR-CYBMUJFWSA-N 0 1 293.329 3.618 20 0 CHADMN COc1cncc(CN(Cc2ccsc2)C(C)(C)C)c1 ZINC000661133888 1119275701 /nfs/dbraw/zinc/27/57/01/1119275701.db2.gz OOXJDRWFMDDLBJ-UHFFFAOYSA-N 0 1 290.432 3.952 20 0 CHADMN CN(C)[C@H](CNc1ncc(Cl)cc1F)c1ccsc1 ZINC000079295318 1119276374 /nfs/dbraw/zinc/27/63/74/1119276374.db2.gz OJBOVDJNCKHFPF-GFCCVEGCSA-N 0 1 299.802 3.650 20 0 CHADMN Cc1ccc(CN(Cc2ccc(F)cc2)C2CC2)cn1 ZINC000153681347 1119278397 /nfs/dbraw/zinc/27/83/97/1119278397.db2.gz LOSMMHJGSHYGGO-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN CCc1cc(=O)[nH]c(CN(C)[C@H](c2ccccc2)C(C)C)n1 ZINC000468279520 1119278574 /nfs/dbraw/zinc/27/85/74/1119278574.db2.gz PPCFWUJQGDLKMA-SFHVURJKSA-N 0 1 299.418 3.574 20 0 CHADMN Fc1ccc(CN[C@H]2CCCc3cccnc32)cc1F ZINC000091661381 1119279117 /nfs/dbraw/zinc/27/91/17/1119279117.db2.gz XDKJCGJAUWDMTJ-HNNXBMFYSA-N 0 1 274.314 3.527 20 0 CHADMN CC(C)n1ncc2cc(CN(C)CC3CC3)c(Cl)nc21 ZINC000122891007 1119288712 /nfs/dbraw/zinc/28/87/12/1119288712.db2.gz IRBSLCCPNWZACX-UHFFFAOYSA-N 0 1 292.814 3.507 20 0 CHADMN CC1(C)CCCN1Cc1csc(Br)c1 ZINC000343045670 1119289478 /nfs/dbraw/zinc/28/94/78/1119289478.db2.gz FENXZFAAOQJAMQ-UHFFFAOYSA-N 0 1 274.227 3.885 20 0 CHADMN CC1=C[C@H](C)C[C@@H](C[N@H+]2CCO[C@H](c3ccco3)C2)C1 ZINC000428271796 1119291695 /nfs/dbraw/zinc/29/16/95/1119291695.db2.gz HNHNPRDFGDLQFH-LXZKKBNFSA-N 0 1 275.392 3.645 20 0 CHADMN CC1=C[C@H](C)C[C@@H](CN2CCO[C@H](c3ccco3)C2)C1 ZINC000428271796 1119291697 /nfs/dbraw/zinc/29/16/97/1119291697.db2.gz HNHNPRDFGDLQFH-LXZKKBNFSA-N 0 1 275.392 3.645 20 0 CHADMN CCn1ccnc1[C@H](C)NC/C(C)=C/c1ccccc1 ZINC000449563668 1119292354 /nfs/dbraw/zinc/29/23/54/1119292354.db2.gz XPJDGQZJMSSVNO-ZQHYZAEZSA-N 0 1 269.392 3.657 20 0 CHADMN Cc1ccc(CN2C[C@H](C)[C@@H]2c2ccccc2)cn1 ZINC000154009345 1119299681 /nfs/dbraw/zinc/29/96/81/1119299681.db2.gz PGNFUMMPQFYVKN-SUMWQHHRSA-N 0 1 252.361 3.583 20 0 CHADMN CCc1nc(C)c([C@H](C)NCc2cnc(C)s2)s1 ZINC000123640391 1119299718 /nfs/dbraw/zinc/29/97/18/1119299718.db2.gz ZRQOVGFDJUQPAP-QMMMGPOBSA-N 0 1 281.450 3.630 20 0 CHADMN CC[C@@H](N[C@H](C)c1noc(-c2ccccc2)n1)C1CC1 ZINC000124485455 1119315378 /nfs/dbraw/zinc/31/53/78/1119315378.db2.gz YCAMRYKTPVTXJV-BXUZGUMPSA-N 0 1 271.364 3.576 20 0 CHADMN Cc1noc(C)c1[C@@H](C)Nc1cc2c(cn1)CCCC2 ZINC000926467112 1119315668 /nfs/dbraw/zinc/31/56/68/1119315668.db2.gz MBEGANPSDCOGJV-SNVBAGLBSA-N 0 1 271.364 3.738 20 0 CHADMN COc1ccccc1CN[C@H](c1ccccc1)[C@@H](O)C(C)C ZINC000657742971 1119320144 /nfs/dbraw/zinc/32/01/44/1119320144.db2.gz XRMSRLLECBLHTD-MOPGFXCFSA-N 0 1 299.414 3.543 20 0 CHADMN C[C@@H]1C[C@H](C)N1Cc1cccc(F)c1OCC(F)(F)F ZINC000628255370 1128837868 /nfs/dbraw/zinc/83/78/68/1128837868.db2.gz KNTMPUPMZHWUIS-AOOOYVTPSA-N 0 1 291.288 3.750 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2c(C)noc2C)cc1 ZINC000092326285 1119327225 /nfs/dbraw/zinc/32/72/25/1119327225.db2.gz DFCJBGSSUYSLDN-WDEREUQCSA-N 0 1 274.364 3.712 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2c(C)noc2C)cc1F ZINC000092326371 1119327657 /nfs/dbraw/zinc/32/76/57/1119327657.db2.gz XXWWAPHIJKGLPN-ZJUUUORDSA-N 0 1 292.354 3.851 20 0 CHADMN COc1cc([C@H](C)N[C@@H]2CCCc3ccc(C)cc32)on1 ZINC000926474477 1119332617 /nfs/dbraw/zinc/33/26/17/1119332617.db2.gz QGECOKYCXYEBOD-SWLSCSKDSA-N 0 1 286.375 3.720 20 0 CHADMN CCc1ccc(CN[C@@H](c2ccccc2)[C@H](O)C(C)C)o1 ZINC000657747751 1119333641 /nfs/dbraw/zinc/33/36/41/1119333641.db2.gz RTUWOJULWUXTNO-ZWKOTPCHSA-N 0 1 287.403 3.690 20 0 CHADMN F[C@@H]1CSC2(CN(Cc3csc4ccccc34)C2)C1 ZINC001140639144 1119334861 /nfs/dbraw/zinc/33/48/61/1119334861.db2.gz LYFUFBLNZVUGLB-LBPRGKRZSA-N 0 1 293.432 3.931 20 0 CHADMN Cc1cc(CN)oc1C(=O)N(CCC(C)C)CCC(C)C ZINC000637869174 1129233881 /nfs/dbraw/zinc/23/38/81/1129233881.db2.gz IBQLHEBMPYFKSD-UHFFFAOYSA-N 0 1 294.439 3.581 20 0 CHADMN CN(Cc1ccc(F)c(Cl)c1Cl)C1CCOCC1 ZINC000583300205 1119338231 /nfs/dbraw/zinc/33/82/31/1119338231.db2.gz VEHQKNMNWSFCNV-UHFFFAOYSA-N 0 1 292.181 3.743 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cccn3C(C)C)cc2[nH]1 ZINC000343170805 1119338444 /nfs/dbraw/zinc/33/84/44/1119338444.db2.gz PEQKEUFCRPOFPA-UHFFFAOYSA-N 0 1 282.347 3.506 20 0 CHADMN Cc1cccc([C@H](C)N[C@H]2CCc3cccnc32)c1 ZINC000226825742 1119342806 /nfs/dbraw/zinc/34/28/06/1119342806.db2.gz VMJDRAACAWOZMB-BBRMVZONSA-N 0 1 252.361 3.728 20 0 CHADMN Cn1ccc(CNCc2cccc(Cl)c2Cl)c1 ZINC000343196426 1119345692 /nfs/dbraw/zinc/34/56/92/1119345692.db2.gz YOLZYANPIWDEMZ-UHFFFAOYSA-N 0 1 269.175 3.622 20 0 CHADMN CCCCN(CCOC)Cc1nc2ccccc2s1 ZINC000171952717 1119350975 /nfs/dbraw/zinc/35/09/75/1119350975.db2.gz AMTLWFNRQBWTBB-UHFFFAOYSA-N 0 1 278.421 3.545 20 0 CHADMN CCN(Cc1ccoc1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000092935893 1119352813 /nfs/dbraw/zinc/35/28/13/1119352813.db2.gz BPZGBWNUNZQHTO-UHFFFAOYSA-N 0 1 299.349 3.831 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCCCCC(=O)[O-] ZINC000583569662 1119378188 /nfs/dbraw/zinc/37/81/88/1119378188.db2.gz IOVUBWGVVBMMLH-GDBMZVCRSA-N 0 1 275.392 3.509 20 0 CHADMN Fc1ccccc1-c1ccc(CN[C@H]2C[C@@H]2C(F)F)o1 ZINC000583587645 1119381245 /nfs/dbraw/zinc/38/12/45/1119381245.db2.gz WEPKJYVWYRPURI-AAEUAGOBSA-N 0 1 281.277 3.829 20 0 CHADMN CSC1(C[N@H+]2CCCn3c(cc4ccccc43)C2)CC1 ZINC000583591830 1119381977 /nfs/dbraw/zinc/38/19/77/1119381977.db2.gz IBESVVXSNIKLNQ-UHFFFAOYSA-N 0 1 286.444 3.743 20 0 CHADMN CSC1(CN2CCCn3c(cc4ccccc43)C2)CC1 ZINC000583591830 1119381981 /nfs/dbraw/zinc/38/19/81/1119381981.db2.gz IBESVVXSNIKLNQ-UHFFFAOYSA-N 0 1 286.444 3.743 20 0 CHADMN CCCOc1ccc(CN[C@@H](C)c2ccoc2)cc1OC ZINC000151075083 1119386629 /nfs/dbraw/zinc/38/66/29/1119386629.db2.gz ZJSCDVUYEHUFEB-ZDUSSCGKSA-N 0 1 289.375 3.928 20 0 CHADMN CC(C)CC1(NCc2csc(C3CC3)n2)CC1 ZINC000657775972 1119387986 /nfs/dbraw/zinc/38/79/86/1119387986.db2.gz WBNFYHCPUJZQST-UHFFFAOYSA-N 0 1 250.411 3.689 20 0 CHADMN CCC[C@@H](NCc1nc(C)c(C)[nH]1)c1ccccc1 ZINC000583642029 1119388345 /nfs/dbraw/zinc/38/83/45/1119388345.db2.gz LZPOJXRUMBNKHS-OAHLLOKOSA-N 0 1 257.381 3.658 20 0 CHADMN Cc1nc(CN2CC3(CCCCC3)[C@H]2C(C)C)[nH]c1C ZINC000628309045 1128843721 /nfs/dbraw/zinc/84/37/21/1128843721.db2.gz YDEFKNBWUGHYAC-MRXNPFEDSA-N 0 1 275.440 3.817 20 0 CHADMN C[C@@H]1C[C@H]1[C@@H](NCc1nccn1C)c1ccc(Cl)cc1 ZINC000343381683 1119405498 /nfs/dbraw/zinc/40/54/98/1119405498.db2.gz NUFATSUZIQVEJC-XFJVYGCCSA-N 0 1 289.810 3.560 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H]1c1ccccc1F)c1cc2n(n1)CCCC2 ZINC000647306681 1119407757 /nfs/dbraw/zinc/40/77/57/1119407757.db2.gz FCCOVZYDVHVGFL-HNJNHCNJSA-N 0 1 299.393 3.565 20 0 CHADMN Cc1ccoc1CN(Cc1cccc(F)c1)C1CC1 ZINC000349945467 1119422364 /nfs/dbraw/zinc/42/23/64/1119422364.db2.gz PDBOYJAAFFEXPR-UHFFFAOYSA-N 0 1 259.324 3.892 20 0 CHADMN CCOc1ncccc1CN[C@@H](C)c1ccc(CC)cc1 ZINC000151178490 1119424188 /nfs/dbraw/zinc/42/41/88/1119424188.db2.gz RHFCYJCEPUAVJK-AWEZNQCLSA-N 0 1 284.403 3.894 20 0 CHADMN CCOc1ncccc1CN[C@@H]1C[C@@H](C)c2ccccc21 ZINC000343517109 1119439579 /nfs/dbraw/zinc/43/95/79/1119439579.db2.gz RLAREBVQKMRTLJ-CXAGYDPISA-N 0 1 282.387 3.818 20 0 CHADMN C[C@@H]1CCC[C@H](C)N(Cc2cncc(Br)c2)C1 ZINC000343529839 1119443420 /nfs/dbraw/zinc/44/34/20/1119443420.db2.gz BHMKOFONFBTVIX-NEPJUHHUSA-N 0 1 297.240 3.855 20 0 CHADMN c1sc(CN2CCC[C@H]3CCC[C@H]32)nc1C1CC1 ZINC000343529120 1119443456 /nfs/dbraw/zinc/44/34/56/1119443456.db2.gz MAMLVZUOUZOXEX-TZMCWYRMSA-N 0 1 262.422 3.785 20 0 CHADMN C[C@@H]1CCCN(Cc2nc(C3CC3)cs2)[C@H]1C ZINC000343541901 1119449055 /nfs/dbraw/zinc/44/90/55/1119449055.db2.gz VDRKPGHDRWXYSI-MNOVXSKESA-N 0 1 250.411 3.641 20 0 CHADMN CCN(Cc1cnc(C)o1)[C@@H](C)c1ccc(F)cc1 ZINC000628148395 1119449677 /nfs/dbraw/zinc/44/96/77/1119449677.db2.gz OTRORNVGECCXSN-NSHDSACASA-N 0 1 262.328 3.705 20 0 CHADMN Cc1cccc([C@@H]2CCCN2C(=O)c2cc(C(C)C)[nH]n2)c1 ZINC000132518927 1119450405 /nfs/dbraw/zinc/45/04/05/1119450405.db2.gz RRUJDAZSJTVZGO-KRWDZBQOSA-N 0 1 297.402 3.819 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000226990524 1119452613 /nfs/dbraw/zinc/45/26/13/1119452613.db2.gz YODQFFBOGBNCQO-GDBMZVCRSA-N 0 1 275.392 3.570 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H](CC)C(C)(C)C)n1 ZINC000343588052 1119464272 /nfs/dbraw/zinc/46/42/72/1119464272.db2.gz HLEZBQNXIOOBLR-MNOVXSKESA-N 0 1 285.457 3.798 20 0 CHADMN CC[C@H](c1ccccc1)N(CC)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635448242 1119469339 /nfs/dbraw/zinc/46/93/39/1119469339.db2.gz YERBYZANUNEHCJ-BFYDXBDKSA-N 0 1 297.402 3.513 20 0 CHADMN CC(C)c1nnc(CN[C@@H]2CCC[C@H]2c2ccccc2)o1 ZINC000133477639 1119470129 /nfs/dbraw/zinc/47/01/29/1119470129.db2.gz HGDYWZUSYHOAEY-LSDHHAIUSA-N 0 1 285.391 3.619 20 0 CHADMN C[C@H](N[C@@H](C)c1cccnc1)c1cc2cnccc2o1 ZINC000657824461 1119470656 /nfs/dbraw/zinc/47/06/56/1119470656.db2.gz JDVUTWQFOPQPRX-RYUDHWBXSA-N 0 1 267.332 3.635 20 0 CHADMN CCc1noc([C@H](C)N[C@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000133776729 1119475998 /nfs/dbraw/zinc/47/59/98/1119475998.db2.gz RYOQERRXYDGYQW-CFVMTHIKSA-N 0 1 285.391 3.619 20 0 CHADMN Cc1ccc([C@@H](C)N(C)C(=O)c2cnc(C3CC3)[nH]2)c(C)c1 ZINC000343638508 1119476381 /nfs/dbraw/zinc/47/63/81/1119476381.db2.gz DFEGRRVIUHVIJE-CYBMUJFWSA-N 0 1 297.402 3.737 20 0 CHADMN CN(Cc1nc(C(F)(F)F)cs1)C(C1CC1)C1CC1 ZINC000151612606 1119477100 /nfs/dbraw/zinc/47/71/00/1119477100.db2.gz FYWNYSZVUVVTIC-UHFFFAOYSA-N 0 1 290.354 3.782 20 0 CHADMN Cc1occc1CNCc1cccc(-c2cccnc2)c1 ZINC000343644299 1119478984 /nfs/dbraw/zinc/47/89/84/1119478984.db2.gz RSUKTQCQWNTXKD-UHFFFAOYSA-N 0 1 278.355 3.940 20 0 CHADMN CSCCCN(C)Cc1cnc(C(C)(C)C)s1 ZINC000343651250 1119480363 /nfs/dbraw/zinc/48/03/63/1119480363.db2.gz BJTXZNVMPWFJHW-UHFFFAOYSA-N 0 1 272.483 3.626 20 0 CHADMN CCC(C)(C)[C@@H](C)NC(=O)c1ccc(O)c(Cl)c1 ZINC000617572317 1128848990 /nfs/dbraw/zinc/84/89/90/1128848990.db2.gz GCPHMJVGUWVHJG-SECBINFHSA-N 0 1 269.772 3.600 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1nnc(C)n1CCC ZINC000343685656 1119486079 /nfs/dbraw/zinc/48/60/79/1119486079.db2.gz MUILWZDIPIVTLD-OAHLLOKOSA-N 0 1 278.444 3.541 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H]2CCC[C@H](C)[C@H]2C)n1 ZINC000248556094 1119486696 /nfs/dbraw/zinc/48/66/96/1119486696.db2.gz KSGPFAFLKLHYSY-UMSGYPCISA-N 0 1 297.468 3.798 20 0 CHADMN Cc1ncc(CN2C[C@@H](C)C[C@H]2c2cccc(F)c2)o1 ZINC000628180433 1119492665 /nfs/dbraw/zinc/49/26/65/1119492665.db2.gz PAFNCSRBSBFFET-ZBEGNZNMSA-N 0 1 274.339 3.705 20 0 CHADMN Cc1ncc(CN2C[C@@H](C)C[C@@H]2c2cccc(F)c2)o1 ZINC000628180432 1119493012 /nfs/dbraw/zinc/49/30/12/1119493012.db2.gz PAFNCSRBSBFFET-MEDUHNTESA-N 0 1 274.339 3.705 20 0 CHADMN COc1ccc(-c2nc(CN(C)CCC3CC3)co2)cc1 ZINC000135282972 1119496704 /nfs/dbraw/zinc/49/67/04/1119496704.db2.gz YLUCWIJSMFPODD-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN Cc1cc(C)c(CNCc2sccc2Cl)cn1 ZINC000397502472 1119497149 /nfs/dbraw/zinc/49/71/49/1119497149.db2.gz STMGGWMGIGEJEU-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnn(C)c1)c1ccc(F)cc1F ZINC000151820393 1119500474 /nfs/dbraw/zinc/50/04/74/1119500474.db2.gz MFCRLVKNFHLSSP-BONVTDFDSA-N 0 1 279.334 3.500 20 0 CHADMN C[C@@H](N[C@@H]1CCCn2nccc21)c1ccc(F)c(Cl)c1 ZINC000657848177 1119508925 /nfs/dbraw/zinc/50/89/25/1119508925.db2.gz KBCCRGRTMHNKCD-QMTHXVAHSA-N 0 1 293.773 3.861 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NC1(c2cccc(F)c2)CCC1 ZINC000647331010 1119514168 /nfs/dbraw/zinc/51/41/68/1119514168.db2.gz RWLIOKGLNUEQJD-LBPRGKRZSA-N 0 1 287.382 3.598 20 0 CHADMN CC[C@H](C[NH2+]C(C)(C)c1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000628375036 1128852337 /nfs/dbraw/zinc/85/23/37/1128852337.db2.gz VXXOLEHLGAKOLM-CQSZACIVSA-N 0 1 299.418 3.509 20 0 CHADMN COc1ccc([C@H](C)N[C@@H]2COc3ccc(C)cc32)cc1 ZINC000090452869 1119544140 /nfs/dbraw/zinc/54/41/40/1119544140.db2.gz NANFDCGUFLGIGF-SUMWQHHRSA-N 0 1 283.371 3.788 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@@H]1COc2ccc(C)cc21 ZINC000090452837 1119544399 /nfs/dbraw/zinc/54/43/99/1119544399.db2.gz VIYGDUNNYGDIBS-DLBZAZTESA-N 0 1 295.382 3.714 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(F)cn2)cc1Cl ZINC000090468942 1119544620 /nfs/dbraw/zinc/54/46/20/1119544620.db2.gz GJLQULDNXUKMMQ-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN CC(C)N(Cc1cc(C(C)(C)C)on1)CC1CC1 ZINC000584438980 1119548075 /nfs/dbraw/zinc/54/80/75/1119548075.db2.gz XFNYQNZNKUITLW-UHFFFAOYSA-N 0 1 250.386 3.593 20 0 CHADMN COCc1ccc([C@H]2CCCN2Cc2ccc(C)o2)o1 ZINC000137079927 1119549651 /nfs/dbraw/zinc/54/96/51/1119549651.db2.gz ICNZSNJSLSYYKR-OAHLLOKOSA-N 0 1 275.348 3.665 20 0 CHADMN CCc1ccc([C@H](CO)N[C@H](C)c2ccsc2)cc1 ZINC000090844635 1119550573 /nfs/dbraw/zinc/55/05/73/1119550573.db2.gz UHYYDGSYOZRMKT-WBMJQRKESA-N 0 1 275.417 3.695 20 0 CHADMN CCc1cc(CN[C@H](c2ccc(C)cc2)C2CC2)on1 ZINC000091346048 1119555372 /nfs/dbraw/zinc/55/53/72/1119555372.db2.gz PEOKGBAJZZKSNH-QGZVFWFLSA-N 0 1 270.376 3.786 20 0 CHADMN CC(C)[C@@H](NCc1ncccc1F)c1ccccc1 ZINC000091402834 1119556040 /nfs/dbraw/zinc/55/60/40/1119556040.db2.gz HFHMYAYQIGVZAX-MRXNPFEDSA-N 0 1 258.340 3.708 20 0 CHADMN Cc1cc(N(C)Cc2ccccn2)c2cc(F)ccc2n1 ZINC000091456274 1119556714 /nfs/dbraw/zinc/55/67/14/1119556714.db2.gz LCYXRDZBUCPLSJ-UHFFFAOYSA-N 0 1 281.334 3.714 20 0 CHADMN CC[C@H](N[C@H](C)c1cnn(C)c1)c1cc(C)ccc1OC ZINC000091727868 1119558675 /nfs/dbraw/zinc/55/86/75/1119558675.db2.gz SXLGGDXZAYHSSQ-CJNGLKHVSA-N 0 1 287.407 3.539 20 0 CHADMN C[C@H](c1ccccn1)N(C)c1ccnc2cc(F)ccc21 ZINC000091463564 1119559128 /nfs/dbraw/zinc/55/91/28/1119559128.db2.gz KRZZYQXBRVPGAY-GFCCVEGCSA-N 0 1 281.334 3.966 20 0 CHADMN Fc1ccc(Cl)cc1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000092073163 1119561288 /nfs/dbraw/zinc/56/12/88/1119561288.db2.gz VHLCZPFAOZUQSY-NSHDSACASA-N 0 1 293.773 3.582 20 0 CHADMN CCOCc1ccc(CN[C@H](C)c2ccc(F)cn2)cc1 ZINC000092738624 1119565408 /nfs/dbraw/zinc/56/54/08/1119565408.db2.gz CKTKAIHHDWHMRZ-CYBMUJFWSA-N 0 1 288.366 3.608 20 0 CHADMN Fc1cccc(CSc2nc(C3CC3)n[nH]2)c1Cl ZINC000092855111 1119567024 /nfs/dbraw/zinc/56/70/24/1119567024.db2.gz HAYBGWXSTWYDPZ-UHFFFAOYSA-N 0 1 283.759 3.767 20 0 CHADMN Fc1cccc(CSc2n[nH]c(C3CC3)n2)c1Cl ZINC000092855111 1119567027 /nfs/dbraw/zinc/56/70/27/1119567027.db2.gz HAYBGWXSTWYDPZ-UHFFFAOYSA-N 0 1 283.759 3.767 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccc(F)cn1 ZINC000092767736 1119567404 /nfs/dbraw/zinc/56/74/04/1119567404.db2.gz LPZZDOLQVATYBX-ZBEGNZNMSA-N 0 1 286.350 3.567 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](c3nccs3)C2)o1 ZINC000092788442 1119567455 /nfs/dbraw/zinc/56/74/55/1119567455.db2.gz KQAZOYLXUANQDN-SNVBAGLBSA-N 0 1 282.796 3.769 20 0 CHADMN CC(C)C1CCC(N(C)Cc2nccs2)CC1 ZINC000093582397 1119571262 /nfs/dbraw/zinc/57/12/62/1119571262.db2.gz JELGPTHYYVSRDD-UHFFFAOYSA-N 0 1 252.427 3.790 20 0 CHADMN COc1ccsc1CN1CCCC[C@H]1c1cccn1C ZINC000093845354 1119572570 /nfs/dbraw/zinc/57/25/70/1119572570.db2.gz SQNFJEVDFNYEJS-AWEZNQCLSA-N 0 1 290.432 3.822 20 0 CHADMN COc1cc(F)cc(CNCc2coc3ccccc23)c1 ZINC000093970788 1119573952 /nfs/dbraw/zinc/57/39/52/1119573952.db2.gz HBERDZQIUWIAIO-UHFFFAOYSA-N 0 1 285.318 3.870 20 0 CHADMN CCc1ncc(CN2CCC[C@@H]2c2cccc(C)n2)s1 ZINC000093444938 1119574535 /nfs/dbraw/zinc/57/45/35/1119574535.db2.gz QABYPOQNXBIYPJ-OAHLLOKOSA-N 0 1 287.432 3.746 20 0 CHADMN CCN(c1ccc(N[C@@H](C)Cn2cccn2)cc1)C(C)C ZINC000137760404 1119578288 /nfs/dbraw/zinc/57/82/88/1119578288.db2.gz ACNISAXIZURNLM-HNNXBMFYSA-N 0 1 286.423 3.618 20 0 CHADMN CSCc1ccc(CN[C@H](C)c2ccns2)cc1 ZINC000725123151 1119595997 /nfs/dbraw/zinc/59/59/97/1119595997.db2.gz LNENUTFRQHSJNZ-LLVKDONJSA-N 0 1 278.446 3.857 20 0 CHADMN CC[C@@H](N[C@H]1CCCn2nccc21)c1ccc(F)cc1F ZINC000657887743 1119596918 /nfs/dbraw/zinc/59/69/18/1119596918.db2.gz FIGIRRDDEQFFPE-CABCVRRESA-N 0 1 291.345 3.737 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000611918838 1119603542 /nfs/dbraw/zinc/60/35/42/1119603542.db2.gz GYZAEUJEVSDQOF-CYBMUJFWSA-N 0 1 297.402 3.585 20 0 CHADMN CCN(Cc1ccoc1)Cc1cc(C)c(O)c(C)c1 ZINC000685414761 1119604305 /nfs/dbraw/zinc/60/43/05/1119604305.db2.gz HKMYCYJHWAMXIN-UHFFFAOYSA-N 0 1 259.349 3.624 20 0 CHADMN FC(F)O[C@H]1CCCN(Cc2ccc3occc3c2)C1 ZINC000685426982 1119606451 /nfs/dbraw/zinc/60/64/51/1119606451.db2.gz MSGHMULNTKDLTQ-ZDUSSCGKSA-N 0 1 281.302 3.636 20 0 CHADMN FC(F)O[C@@H]1CCCN(Cc2ccc3occc3c2)C1 ZINC000685426981 1119606474 /nfs/dbraw/zinc/60/64/74/1119606474.db2.gz MSGHMULNTKDLTQ-CYBMUJFWSA-N 0 1 281.302 3.636 20 0 CHADMN Cc1ccc(CN(C)C/C=C/c2ccc(F)c(F)c2)nc1 ZINC000685429327 1119606756 /nfs/dbraw/zinc/60/67/56/1119606756.db2.gz KTMBWJYWNAIRFB-ONEGZZNKSA-N 0 1 288.341 3.813 20 0 CHADMN Fc1ccc(/C=C\CN2CC(C3CCC3)C2)c(F)c1 ZINC000685438886 1119608300 /nfs/dbraw/zinc/60/83/00/1119608300.db2.gz RKVTWVOGVGIRCB-DJWKRKHSSA-N 0 1 263.331 3.710 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](c1nccn1C)C1CC1)[C@@H](C)C2 ZINC000685439553 1119609325 /nfs/dbraw/zinc/60/93/25/1119609325.db2.gz SOUVXXREOICSKU-MORSLUCNSA-N 0 1 295.430 3.703 20 0 CHADMN C[C@@H](CN(C)Cc1ncc(C2CC2)o1)C(C)(C)C ZINC000685462914 1119611088 /nfs/dbraw/zinc/61/10/88/1119611088.db2.gz KRXVPWPZJGHPCR-NSHDSACASA-N 0 1 250.386 3.666 20 0 CHADMN Brc1ccc(CN2CCC[C@H](C3CC3)C2)o1 ZINC000685476766 1119613986 /nfs/dbraw/zinc/61/39/86/1119613986.db2.gz ZIWQDKFEROKHHI-NSHDSACASA-N 0 1 284.197 3.664 20 0 CHADMN Cc1cnc(CN[C@H](C)c2cc3ccncc3s2)s1 ZINC000657894131 1119618068 /nfs/dbraw/zinc/61/80/68/1119618068.db2.gz WHAUGVZSTMSVEO-SNVBAGLBSA-N 0 1 289.429 3.912 20 0 CHADMN Oc1ccc2c(c1)CN(C[C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000628419468 1128858213 /nfs/dbraw/zinc/85/82/13/1128858213.db2.gz ZLYJSHZLAHVWRT-FUHWJXTLSA-N 0 1 265.356 3.512 20 0 CHADMN CCn1nc(CN2CCCC(F)(F)CC2)c2ccccc21 ZINC000628422053 1128858235 /nfs/dbraw/zinc/85/82/35/1128858235.db2.gz KSACOWQUQBQRGC-UHFFFAOYSA-N 0 1 293.361 3.677 20 0 CHADMN Cc1nc(C)c(CN[C@H]2c3cccc(F)c3CC[C@H]2C)o1 ZINC000628226369 1119622240 /nfs/dbraw/zinc/62/22/40/1119622240.db2.gz LBMCMEJGHSSMCD-BMLIUANNSA-N 0 1 288.366 3.844 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@@H]1CCc2cc(F)ccc21 ZINC000131226055 1119629076 /nfs/dbraw/zinc/62/90/76/1119629076.db2.gz MMOPMLHDUXFANP-BJOHPYRUSA-N 0 1 274.339 3.769 20 0 CHADMN C[C@@H](C1CC1)N(Cc1cc(C(C)(C)C)on1)C1CC1 ZINC000685561377 1119630385 /nfs/dbraw/zinc/63/03/85/1119630385.db2.gz FQQBZWNTNLEOKQ-NSHDSACASA-N 0 1 262.397 3.735 20 0 CHADMN Cc1nc(C)c(CN(Cc2cccs2)C(C)C)o1 ZINC000685561757 1119630915 /nfs/dbraw/zinc/63/09/15/1119630915.db2.gz DUOCLKXAJACXAD-UHFFFAOYSA-N 0 1 264.394 3.764 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1cc(C(C)(C)C)on1 ZINC000685564016 1119631552 /nfs/dbraw/zinc/63/15/52/1119631552.db2.gz JAHMBVSZFDGQRJ-VXGBXAGGSA-N 0 1 250.386 3.735 20 0 CHADMN Cc1nccc(NC[C@H]2CC2(Cl)Cl)c1Cl ZINC000309067504 1119631941 /nfs/dbraw/zinc/63/19/41/1119631941.db2.gz AGNNGEUFHCFKTH-SSDOTTSWSA-N 0 1 265.571 3.649 20 0 CHADMN Cc1nc(C)c(CN[C@H](c2ccc(F)cc2)C(C)C)o1 ZINC000685566657 1119632225 /nfs/dbraw/zinc/63/22/25/1119632225.db2.gz VBCBCCOPPSDSEU-INIZCTEOSA-N 0 1 276.355 3.917 20 0 CHADMN Cc1nc(C)c(CN[C@H](c2ccccc2C)C2CC2)o1 ZINC000685571728 1119632850 /nfs/dbraw/zinc/63/28/50/1119632850.db2.gz ZXKCBCSEHXTOGA-KRWDZBQOSA-N 0 1 270.376 3.841 20 0 CHADMN CC[N@@H+](Cc1oc(C)nc1C)[C@@H](C)Cc1ccsc1 ZINC000685574000 1119633962 /nfs/dbraw/zinc/63/39/62/1119633962.db2.gz BYODKTCTTGGFFD-NSHDSACASA-N 0 1 278.421 3.806 20 0 CHADMN Cc1nc(C)c(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)o1 ZINC000685575142 1119634546 /nfs/dbraw/zinc/63/45/46/1119634546.db2.gz JVDSEQVEUUTIET-LBPRGKRZSA-N 0 1 290.329 3.702 20 0 CHADMN C[C@H]1CN(CCOc2ccccc2Cl)CCC1(F)F ZINC000685590852 1119635991 /nfs/dbraw/zinc/63/59/91/1119635991.db2.gz OBHFJRDWHOXBNJ-NSHDSACASA-N 0 1 289.753 3.696 20 0 CHADMN CCc1ccc([C@@H](NCc2n[nH]cc2C)C(C)C)cc1 ZINC000685612320 1119637799 /nfs/dbraw/zinc/63/77/99/1119637799.db2.gz BXBIWENSWGKUMT-KRWDZBQOSA-N 0 1 271.408 3.767 20 0 CHADMN CCCC[C@H](C)N(C)Cc1nc(-c2ccccc2)no1 ZINC000685612508 1119637998 /nfs/dbraw/zinc/63/79/98/1119637998.db2.gz FNJZRTWVBJVPGI-ZDUSSCGKSA-N 0 1 273.380 3.747 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1NCc1ncccc1N(C)C ZINC000685660528 1119648052 /nfs/dbraw/zinc/64/80/52/1119648052.db2.gz CNMCLMVOLIRJAU-KUHUBIRLSA-N 0 1 295.430 3.561 20 0 CHADMN CCC[C@H](NCc1ccnc(OC)c1F)c1ccccc1 ZINC000892418367 1119659478 /nfs/dbraw/zinc/65/94/78/1119659478.db2.gz PHLUIWKQNIZPHT-HNNXBMFYSA-N 0 1 288.366 3.860 20 0 CHADMN Cc1ccsc1-c1noc(-c2cc(-c3ccoc3)n[nH]2)n1 ZINC000685692654 1119662679 /nfs/dbraw/zinc/66/26/79/1119662679.db2.gz CUXNELZPUZCGAN-UHFFFAOYSA-N 0 1 298.327 3.757 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@H]1CCCn2nccc21 ZINC000658002624 1119664778 /nfs/dbraw/zinc/66/47/78/1119664778.db2.gz WPRUIGZLMVFPKP-JSGCOSHPSA-N 0 1 287.432 3.791 20 0 CHADMN CC[C@H](C)CCN[C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000658121844 1119688776 /nfs/dbraw/zinc/68/87/76/1119688776.db2.gz QWGYBDTZLNECJL-GUYCJALGSA-N 0 1 289.398 3.674 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1ccccc1)c1ccsc1 ZINC000294420491 1119689632 /nfs/dbraw/zinc/68/96/32/1119689632.db2.gz OFFVGSWWBKNXFG-CABCVRRESA-N 0 1 261.390 3.522 20 0 CHADMN COc1ccc(F)cc1[C@H](C)N[C@@H](C)C1(Cl)CC1 ZINC000695646747 1119696541 /nfs/dbraw/zinc/69/65/41/1119696541.db2.gz GWGDWPKLOMJQJK-UWVGGRQHSA-N 0 1 271.763 3.645 20 0 CHADMN COCc1csc(CN[C@@H](C)c2ccc(Cl)cn2)c1 ZINC000658210335 1119700099 /nfs/dbraw/zinc/70/00/99/1119700099.db2.gz QJZMGSDOYKGVJG-JTQLQIEISA-N 0 1 296.823 3.794 20 0 CHADMN C[C@@H](NCc1c(C2CC2)cnn1C)c1cc2ccccc2o1 ZINC000658215260 1119708396 /nfs/dbraw/zinc/70/83/96/1119708396.db2.gz GQLZJJIHDGKKNS-GFCCVEGCSA-N 0 1 295.386 3.895 20 0 CHADMN CCOc1ccc([C@H](C)NCc2c(C3CC3)cnn2C)cc1 ZINC000658216645 1119708692 /nfs/dbraw/zinc/70/86/92/1119708692.db2.gz UEIZWISUHROVOP-ZDUSSCGKSA-N 0 1 299.418 3.547 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCc3ccc(O)cc32)c(C)o1 ZINC000658236280 1119709347 /nfs/dbraw/zinc/70/93/47/1119709347.db2.gz ICHFKEQCGPRUSY-APPDUMDISA-N 0 1 271.360 3.940 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000658243336 1119711208 /nfs/dbraw/zinc/71/12/08/1119711208.db2.gz CAWVDMJLMHVXRU-JJRVBVJISA-N 0 1 283.419 3.796 20 0 CHADMN C[C@@H](NCCc1nsc2ccccc12)c1cscn1 ZINC000658318238 1119722997 /nfs/dbraw/zinc/72/29/97/1119722997.db2.gz ONONFRCDLITFEW-SNVBAGLBSA-N 0 1 289.429 3.646 20 0 CHADMN COc1cccc(C2(N[C@@H](C)c3nccnc3C)CCC2)c1 ZINC000658322608 1119723399 /nfs/dbraw/zinc/72/33/99/1119723399.db2.gz AGCLXYDZIUMIMH-AWEZNQCLSA-N 0 1 297.402 3.524 20 0 CHADMN COc1cccc(C2(N[C@@H](C)c3cncnc3C)CCC2)c1 ZINC000658322610 1119723771 /nfs/dbraw/zinc/72/37/71/1119723771.db2.gz AGYWUBBSCFCXHQ-AWEZNQCLSA-N 0 1 297.402 3.524 20 0 CHADMN CC(C)Cc1ccc(CN[C@H](C)c2ccccn2)cn1 ZINC000892431506 1119724471 /nfs/dbraw/zinc/72/44/71/1119724471.db2.gz RCZKAUYIXNHUPC-CQSZACIVSA-N 0 1 269.392 3.526 20 0 CHADMN Cn1nccc1[C@@H]1CCC[C@H](NCC(F)(F)C(C)(C)C)C1 ZINC000658337431 1119727009 /nfs/dbraw/zinc/72/70/09/1119727009.db2.gz DRYYAPQYOLCQRR-OLZOCXBDSA-N 0 1 299.409 3.717 20 0 CHADMN Cn1nccc1[C@@H]1CCC[C@@H](NCC(F)(F)C(C)(C)C)C1 ZINC000658337430 1119727282 /nfs/dbraw/zinc/72/72/82/1119727282.db2.gz DRYYAPQYOLCQRR-CHWSQXEVSA-N 0 1 299.409 3.717 20 0 CHADMN CCC[C@@H](N[C@@H]1CC12CC2)c1ncccc1Cl ZINC000926615997 1119731907 /nfs/dbraw/zinc/73/19/07/1119731907.db2.gz QLFKXGMFUGGIKE-VXGBXAGGSA-N 0 1 250.773 3.718 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccnn2CC2CCC2)cc1 ZINC000924531796 1119748384 /nfs/dbraw/zinc/74/83/84/1119748384.db2.gz OHWUJVBGSLYSEQ-CQSZACIVSA-N 0 1 299.418 3.543 20 0 CHADMN CC(C)Oc1cccc([C@H](C)NCc2ccns2)c1 ZINC000404443511 1119755070 /nfs/dbraw/zinc/75/50/70/1119755070.db2.gz LZGSTJBZQMLIFF-LBPRGKRZSA-N 0 1 276.405 3.781 20 0 CHADMN Cc1nc(C)c(CNC[C@H](c2ccccc2)C(F)(F)F)o1 ZINC000628241026 1119761502 /nfs/dbraw/zinc/76/15/02/1119761502.db2.gz FJHZBZKMXOWXQF-CYBMUJFWSA-N 0 1 298.308 3.727 20 0 CHADMN CCC[C@H](C)[C@H](CO)N[C@@H](C)c1csc(C(C)C)n1 ZINC000569732022 1119762843 /nfs/dbraw/zinc/76/28/43/1119762843.db2.gz FFZIGXDFWLNEBM-AVGNSLFASA-N 0 1 284.469 3.714 20 0 CHADMN CCC[C@@H](NCc1c[nH]nc1C)c1ccc(F)cc1F ZINC000150940283 1119764823 /nfs/dbraw/zinc/76/48/23/1119764823.db2.gz GIGUUFXDQDERSU-OAHLLOKOSA-N 0 1 279.334 3.627 20 0 CHADMN CC(C)(C)C[C@H](N[C@H]1CCCc2[nH]ncc21)C(F)(F)F ZINC000375842550 1119768391 /nfs/dbraw/zinc/76/83/91/1119768391.db2.gz VZSVEFSZFSLXJL-JQWIXIFHSA-N 0 1 289.345 3.744 20 0 CHADMN Cc1nn(C)c(CN[C@@H](c2ccccc2)C2CC2)c1Cl ZINC000892484934 1119774645 /nfs/dbraw/zinc/77/46/45/1119774645.db2.gz CBMUTMYWFCTHFB-INIZCTEOSA-N 0 1 289.810 3.623 20 0 CHADMN COc1ccc(CN[C@@H](c2cccs2)C2CC2)o1 ZINC000892488178 1119777125 /nfs/dbraw/zinc/77/71/25/1119777125.db2.gz FYMGSHNILFRJMJ-CQSZACIVSA-N 0 1 263.362 3.591 20 0 CHADMN CC1(C)CCC(C)(C)N(C(=O)c2[nH]nc3ccccc32)C1 ZINC000628531565 1128868806 /nfs/dbraw/zinc/86/88/06/1128868806.db2.gz VIJBZBWKEBVOFV-UHFFFAOYSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC(C3CCC3)CC2)[nH]1 ZINC000617770777 1128868942 /nfs/dbraw/zinc/86/89/42/1128868942.db2.gz VWMGDFJVDWJNSX-UHFFFAOYSA-N 0 1 297.402 3.524 20 0 CHADMN Cc1nc(CN2CC[C@H](C(C)(C)C)C[C@H]2C)[nH]c1C ZINC000628282022 1119791130 /nfs/dbraw/zinc/79/11/30/1119791130.db2.gz KRQLYSMDFNXILW-RISCZKNCSA-N 0 1 263.429 3.673 20 0 CHADMN CC[C@@H](N[C@H](C)c1cccs1)c1cccc(OC)n1 ZINC000924548235 1119796854 /nfs/dbraw/zinc/79/68/54/1119796854.db2.gz FSOPXRSCEFNTPR-VXGBXAGGSA-N 0 1 276.405 3.954 20 0 CHADMN CC(C)[C@@H](C(=O)NOC1CCCCC1)c1ccccc1 ZINC000779316578 1128870552 /nfs/dbraw/zinc/87/05/52/1128870552.db2.gz GDYOXCWZEIEOFX-MRXNPFEDSA-N 0 1 275.392 3.807 20 0 CHADMN CCc1nc([C@@H](C)NC[C@H]2CCC3(CCCC3)O2)cs1 ZINC000570461049 1119834976 /nfs/dbraw/zinc/83/49/76/1119834976.db2.gz NJMWZKMUFCXHHU-CHWSQXEVSA-N 0 1 294.464 3.848 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@H]1CCCC2(CC2)C1 ZINC000613033727 1119853657 /nfs/dbraw/zinc/85/36/57/1119853657.db2.gz BLHUOBSIRFIVNZ-JTQLQIEISA-N 0 1 279.767 3.955 20 0 CHADMN Cc1c[nH]nc1C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000685834848 1119854292 /nfs/dbraw/zinc/85/42/92/1119854292.db2.gz OAQCZVJDFVXGIY-CQSZACIVSA-N 0 1 289.810 3.579 20 0 CHADMN Cc1c[nH]nc1CN1CCC[C@@H]1Cc1ccccc1Cl ZINC000685834848 1119854298 /nfs/dbraw/zinc/85/42/98/1119854298.db2.gz OAQCZVJDFVXGIY-CQSZACIVSA-N 0 1 289.810 3.579 20 0 CHADMN Cc1cn[nH]c1C[N@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000685837921 1119856600 /nfs/dbraw/zinc/85/66/00/1119856600.db2.gz FEUYXNUJTCDLAO-KRWDZBQOSA-N 0 1 269.392 3.672 20 0 CHADMN CCC[C@@H](N[C@H](C)c1cc(OC)no1)c1ccccc1 ZINC000924566821 1119873234 /nfs/dbraw/zinc/87/32/34/1119873234.db2.gz FBCVFSHKUSCBRI-TZMCWYRMSA-N 0 1 274.364 3.875 20 0 CHADMN CC[C@@H](N[C@H](C)c1cc2n(n1)CCC2)c1ccccc1 ZINC000414065822 1119877066 /nfs/dbraw/zinc/87/70/66/1119877066.db2.gz GLBHOIDEGCYDRR-CZUORRHYSA-N 0 1 269.392 3.631 20 0 CHADMN CC[C@H](N[C@@H](C)c1cc2n(n1)CCC2)c1ccc(OC)cc1 ZINC000414065404 1119877451 /nfs/dbraw/zinc/87/74/51/1119877451.db2.gz ONEKNHLTXOLUSE-GUYCJALGSA-N 0 1 299.418 3.640 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3CCCC4(CC4)C3)ccc12 ZINC000613200393 1119884436 /nfs/dbraw/zinc/88/44/36/1119884436.db2.gz FTCGCQKTRQQLLL-GFCCVEGCSA-N 0 1 283.375 3.780 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccnn2C2CCC2)c1C ZINC000926732280 1119886052 /nfs/dbraw/zinc/88/60/52/1119886052.db2.gz HUEHWESDXUHCDP-AWEZNQCLSA-N 0 1 299.418 3.776 20 0 CHADMN CC(C)C[C@H](N[C@@H](C)c1ccn(C)n1)c1cccs1 ZINC000414081567 1119887261 /nfs/dbraw/zinc/88/72/61/1119887261.db2.gz UJWLNNORMRBJMU-JSGCOSHPSA-N 0 1 277.437 3.920 20 0 CHADMN C[C@H](N[C@@H]1c2cccc(F)c2CC[C@@H]1C)c1ccn(C)n1 ZINC000414092277 1119893697 /nfs/dbraw/zinc/89/36/97/1119893697.db2.gz FGRHJBUDEWSRQX-PRXAMGSTSA-N 0 1 287.382 3.533 20 0 CHADMN C[C@H](N[C@@H]1c2cccc(F)c2CC[C@H]1C)c1ccn(C)n1 ZINC000414092275 1119893821 /nfs/dbraw/zinc/89/38/21/1119893821.db2.gz FGRHJBUDEWSRQX-PEBVRCNWSA-N 0 1 287.382 3.533 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@@]2(C)CC=C(C)CC2)c1 ZINC000613285121 1119897721 /nfs/dbraw/zinc/89/77/21/1119897721.db2.gz RVNMAUGHQFRDNH-KRWDZBQOSA-N 0 1 287.359 3.670 20 0 CHADMN CC[C@H](N[C@H](C)c1noc(-c2ccccc2)n1)[C@H]1C[C@@H]1C ZINC000414109961 1119902745 /nfs/dbraw/zinc/90/27/45/1119902745.db2.gz LFYBXDSGHXFJSR-NEBZKDRISA-N 0 1 285.391 3.822 20 0 CHADMN CCCc1nc(C)c(CNc2cc[nH+]c3c([O-])cccc23)o1 ZINC000644152557 1119904211 /nfs/dbraw/zinc/90/42/11/1119904211.db2.gz CQYHVSVBIDBDRW-UHFFFAOYSA-N 0 1 297.358 3.801 20 0 CHADMN CC[C@](C)(O)CN[C@H](C)c1csc(-c2ccccc2)n1 ZINC000414128100 1119910893 /nfs/dbraw/zinc/91/08/93/1119910893.db2.gz SXWKQARYHVVTHZ-WBMJQRKESA-N 0 1 290.432 3.622 20 0 CHADMN CCOc1ccc(CNCc2ccc(OC(C)C)cc2)o1 ZINC000892544534 1119922745 /nfs/dbraw/zinc/92/27/45/1119922745.db2.gz HLBXTGUNXYFTDC-UHFFFAOYSA-N 0 1 289.375 3.755 20 0 CHADMN C[C@H](N[C@@H](C)c1cc2c(s1)CCCC2)c1ccn(C)n1 ZINC000414169187 1119925004 /nfs/dbraw/zinc/92/50/04/1119925004.db2.gz ASVVZTQWRPOERS-RYUDHWBXSA-N 0 1 289.448 3.772 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H](C)c2ccsc21)c1ccn(C)n1 ZINC000414169667 1119925454 /nfs/dbraw/zinc/92/54/54/1119925454.db2.gz BIKKZXBOFNREJT-SUNKGSAMSA-N 0 1 275.421 3.771 20 0 CHADMN CCC[C@@H](NCc1cnc(C)o1)c1ccc(OC)cc1 ZINC000414181330 1119928816 /nfs/dbraw/zinc/92/88/16/1119928816.db2.gz MJXRUBJWFACTBH-MRXNPFEDSA-N 0 1 274.364 3.623 20 0 CHADMN CC[C@H](C)[C@H](CN[C@H](C)c1c(F)cccc1OC)OC ZINC000381338163 1128878461 /nfs/dbraw/zinc/87/84/61/1128878461.db2.gz AXVPCBBTLMOXIR-ZOWXZIJZSA-N 0 1 283.387 3.546 20 0 CHADMN CC[C@H](C)[C@H](CN[C@@H](C)c1c(F)cccc1OC)OC ZINC000381338160 1128878576 /nfs/dbraw/zinc/87/85/76/1128878576.db2.gz AXVPCBBTLMOXIR-HUBLWGQQSA-N 0 1 283.387 3.546 20 0 CHADMN CCn1ccc(CN[C@H]2CCC(C)(C)c3ccccc32)n1 ZINC000414200932 1119937682 /nfs/dbraw/zinc/93/76/82/1119937682.db2.gz BJVDADBNUVXEGB-KRWDZBQOSA-N 0 1 283.419 3.805 20 0 CHADMN CCn1ccc(CN[C@H]2CC[C@@H](C)c3ccsc32)n1 ZINC000414209901 1119940368 /nfs/dbraw/zinc/94/03/68/1119940368.db2.gz LRSLTMLOAPSJHS-RISCZKNCSA-N 0 1 275.421 3.693 20 0 CHADMN CCn1ccc(CN[C@H]2CCCc3c(C)ccc(C)c32)n1 ZINC000414212189 1119941967 /nfs/dbraw/zinc/94/19/67/1119941967.db2.gz RKAVZZJWKMEVBW-KRWDZBQOSA-N 0 1 283.419 3.687 20 0 CHADMN C[C@H](N[C@H](c1ccccn1)C1CCC1)c1ccns1 ZINC000926753356 1119947356 /nfs/dbraw/zinc/94/73/56/1119947356.db2.gz SHODURXRAKCCGQ-NHYWBVRUSA-N 0 1 273.405 3.730 20 0 CHADMN C[C@H](NCc1nccc(C(F)(F)F)n1)C1CCCCC1 ZINC000414231406 1119949499 /nfs/dbraw/zinc/94/94/99/1119949499.db2.gz BXSJCTCZGLVJHS-JTQLQIEISA-N 0 1 287.329 3.554 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC000694467183 1119950923 /nfs/dbraw/zinc/95/09/23/1119950923.db2.gz GYYTXJYCIYHEJN-JTQLQIEISA-N 0 1 258.818 3.665 20 0 CHADMN Cc1cncc([C@@H](C)NCc2cnc3ccccc3c2)c1 ZINC000343829869 1119954108 /nfs/dbraw/zinc/95/41/08/1119954108.db2.gz DEKKVYPLELCBLH-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)nc1 ZINC000083595931 1119962178 /nfs/dbraw/zinc/96/21/78/1119962178.db2.gz LUFSKDDTZNOZNM-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN CCOc1ccc(CN(C)[C@H](C)c2ccc(F)cc2)nc1 ZINC000083595931 1119962182 /nfs/dbraw/zinc/96/21/82/1119962182.db2.gz LUFSKDDTZNOZNM-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H]2CCCC[C@H]2F)c(F)c1 ZINC000414279804 1119964805 /nfs/dbraw/zinc/96/48/05/1119964805.db2.gz BMJFFGCNRSMCCF-WDBKCZKBSA-N 0 1 269.335 3.766 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H]1CCCC[C@H]1F ZINC000414281862 1119965643 /nfs/dbraw/zinc/96/56/43/1119965643.db2.gz GTEILZQOKRCKRU-IACUBPJLSA-N 0 1 251.345 3.627 20 0 CHADMN F[C@@H]1CCCC[C@H]1N[C@@H](Cc1ccccn1)c1cccnc1 ZINC000414281159 1119965790 /nfs/dbraw/zinc/96/57/90/1119965790.db2.gz FLQRNCCQGOTPIZ-KURKYZTESA-N 0 1 299.393 3.631 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CCCC[C@H]2F)c1 ZINC000414287015 1119967328 /nfs/dbraw/zinc/96/73/28/1119967328.db2.gz NWVVQVFSHJOUAU-HFBAOOFYSA-N 0 1 278.371 3.576 20 0 CHADMN COc1ccc(OC)c([C@@H](C)N[C@@H]2CCCC[C@H]2F)c1 ZINC000414289122 1119968296 /nfs/dbraw/zinc/96/82/96/1119968296.db2.gz RBSVPYMTYWTQEX-KCPJHIHWSA-N 0 1 281.371 3.635 20 0 CHADMN CCn1ccnc1NCc1c(Cl)cccc1Cl ZINC000414294585 1119969152 /nfs/dbraw/zinc/96/91/52/1119969152.db2.gz DLUPFUZZRAAXTG-UHFFFAOYSA-N 0 1 270.163 3.822 20 0 CHADMN CC[C@H](N[C@@H](C)c1csc(C(C)C)n1)[C@@H](O)C(C)C ZINC000414294550 1119969594 /nfs/dbraw/zinc/96/95/94/1119969594.db2.gz NAUVOEYNDXVEBN-OBJOEFQTSA-N 0 1 284.469 3.713 20 0 CHADMN C[C@@H](N[C@@H](C)CCC1CCCC1)c1csnn1 ZINC000414296179 1119970456 /nfs/dbraw/zinc/97/04/56/1119970456.db2.gz GAAMNDCGGSEEKX-WDEREUQCSA-N 0 1 253.415 3.548 20 0 CHADMN CCn1ccnc1NCc1c(F)cc(C)cc1Cl ZINC000414298076 1119971175 /nfs/dbraw/zinc/97/11/75/1119971175.db2.gz IYPZQIUBMIJELY-UHFFFAOYSA-N 0 1 267.735 3.616 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)nn1 ZINC000414296848 1119971404 /nfs/dbraw/zinc/97/14/04/1119971404.db2.gz HHWNYCDKLVNQCU-INIZCTEOSA-N 0 1 287.382 3.801 20 0 CHADMN CCc1ccc(C(=O)Nc2ccc3c(C)[nH]nc3c2)s1 ZINC000180322005 1119981240 /nfs/dbraw/zinc/98/12/40/1119981240.db2.gz MHWHQWOVIFSXND-UHFFFAOYSA-N 0 1 285.372 3.748 20 0 CHADMN CCCC[C@H](NCc1ccc(C)nn1)c1ccc(OC)cc1 ZINC000414331888 1119986805 /nfs/dbraw/zinc/98/68/05/1119986805.db2.gz UOOVFJLSUIUNCM-SFHVURJKSA-N 0 1 299.418 3.815 20 0 CHADMN Cc1ccnc(NCc2nccc3ccccc32)c1C ZINC001167700768 1120000617 /nfs/dbraw/zinc/00/06/17/1120000617.db2.gz MMTGEEZGJRCEQM-UHFFFAOYSA-N 0 1 263.344 3.859 20 0 CHADMN CCc1ncc(CN(CC)[C@H](C)c2cccc(OC)c2)cn1 ZINC000414373024 1120003483 /nfs/dbraw/zinc/00/34/83/1120003483.db2.gz QZIJAIMZNYDAQM-CQSZACIVSA-N 0 1 299.418 3.631 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2c[nH]nc21)c1cccs1 ZINC000376490901 1120013065 /nfs/dbraw/zinc/01/30/65/1120013065.db2.gz IRVLJHNOHFNAGY-NEPJUHHUSA-N 0 1 261.394 3.590 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C[C@H]3C=CCCC3)ccc12 ZINC000187492157 1120023915 /nfs/dbraw/zinc/02/39/15/1120023915.db2.gz DMUVQAGHWKFHLG-LBPRGKRZSA-N 0 1 269.348 3.556 20 0 CHADMN CC(C)c1noc(CN2CCCC[C@H]2Cc2ccccc2)n1 ZINC000624555328 1120026207 /nfs/dbraw/zinc/02/62/07/1120026207.db2.gz WHXATMVFNHYECK-INIZCTEOSA-N 0 1 299.418 3.790 20 0 CHADMN FC(F)(F)c1nc2cccc(-c3cccnc3)c2[nH]1 ZINC001239571163 1120032544 /nfs/dbraw/zinc/03/25/44/1120032544.db2.gz AGHSXBXWMAEHRM-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN O=C(Nc1ccc(O)c(Cl)c1)c1ccc(Cl)cc1O ZINC000085204410 1120046446 /nfs/dbraw/zinc/04/64/46/1120046446.db2.gz BJFZEVNMPGUKQL-UHFFFAOYSA-N 0 1 298.125 3.657 20 0 CHADMN Cc1c[nH]c(CN2CCSC[C@H]2c2ccccc2)c1C ZINC001140862622 1120047171 /nfs/dbraw/zinc/04/71/71/1120047171.db2.gz IKWJQIFLFYWDPL-KRWDZBQOSA-N 0 1 286.444 3.922 20 0 CHADMN CCN(CCOc1ccccc1Cl)Cc1ccoc1 ZINC000588169171 1120047447 /nfs/dbraw/zinc/04/74/47/1120047447.db2.gz AZAYQGJWQAUDDQ-UHFFFAOYSA-N 0 1 279.767 3.834 20 0 CHADMN c1c2ccccc2[nH]c1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000628422944 1120048928 /nfs/dbraw/zinc/04/89/28/1120048928.db2.gz UECKTRRDVLIPDY-CABCVRRESA-N 0 1 272.417 3.638 20 0 CHADMN CC[C@@H](C)[C@H](C)NCc1csc(C(F)(F)F)n1 ZINC000892675874 1120049953 /nfs/dbraw/zinc/04/99/53/1120049953.db2.gz GBDGANVQTCWZTG-SFYZADRCSA-N 0 1 266.332 3.686 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1c(N)cccc1F ZINC001140872955 1120062336 /nfs/dbraw/zinc/06/23/36/1120062336.db2.gz NASXYSYQNBJAMU-LBPRGKRZSA-N 0 1 270.351 3.527 20 0 CHADMN COc1ccccc1C(C)(C)NCc1cnn(C2CCC2)c1 ZINC000921671785 1120065418 /nfs/dbraw/zinc/06/54/18/1120065418.db2.gz CRMQOFXMDJMPKL-UHFFFAOYSA-N 0 1 299.418 3.642 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc(O)c1)c1cnn(CC2CCC2)c1 ZINC000903091208 1120067990 /nfs/dbraw/zinc/06/79/90/1120067990.db2.gz PITNPXWPXQZFTL-KBPBESRZSA-N 0 1 299.418 3.801 20 0 CHADMN CCN(CC(=O)N(CC)c1cccc2ccccc21)C(C)C ZINC000613570167 1120068081 /nfs/dbraw/zinc/06/80/81/1120068081.db2.gz JHCFLAOYRAIIEI-UHFFFAOYSA-N 0 1 298.430 3.923 20 0 CHADMN Cc1ncc(CN[C@H](c2ccccc2Cl)C(C)C)n1C ZINC000580214090 1120075156 /nfs/dbraw/zinc/07/51/56/1120075156.db2.gz KCUKQZRVIYEJCL-INIZCTEOSA-N 0 1 291.826 3.869 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000091782737 1120076127 /nfs/dbraw/zinc/07/61/27/1120076127.db2.gz AWUMXODHGLGZGY-QWHCGFSZSA-N 0 1 279.380 3.797 20 0 CHADMN Cc1cc(CNc2ccc(SC(F)(F)F)cc2)n[nH]1 ZINC001116316240 1120081945 /nfs/dbraw/zinc/08/19/45/1120081945.db2.gz OGPKYHKTPYUFQX-UHFFFAOYSA-N 0 1 287.310 3.942 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](c2cccs2)C2CC2)on1 ZINC000924593035 1120082967 /nfs/dbraw/zinc/08/29/67/1120082967.db2.gz UVLOPQSTYOHZQA-YMTOWFKASA-N 0 1 278.377 3.547 20 0 CHADMN CCOc1ccccc1CNCc1ccc2cccnc2c1 ZINC000589642782 1120086721 /nfs/dbraw/zinc/08/67/21/1120086721.db2.gz GFZFNUAPQZSRPI-UHFFFAOYSA-N 0 1 292.382 3.923 20 0 CHADMN Cc1cc(CN[C@@H]2CCSc3ccc(Cl)cc32)[nH]n1 ZINC000589645379 1120087927 /nfs/dbraw/zinc/08/79/27/1120087927.db2.gz MKWLRZNMERBDBE-CYBMUJFWSA-N 0 1 293.823 3.698 20 0 CHADMN Cc1cc(CN[C@@H]2CCSc3ccc(Cl)cc32)n[nH]1 ZINC000589645379 1120087933 /nfs/dbraw/zinc/08/79/33/1120087933.db2.gz MKWLRZNMERBDBE-CYBMUJFWSA-N 0 1 293.823 3.698 20 0 CHADMN CC[C@H]1CCCCN1Cc1cnccc1C(F)(F)F ZINC001140919664 1120090684 /nfs/dbraw/zinc/09/06/84/1120090684.db2.gz ZUZXNBXBDYXJDB-LBPRGKRZSA-N 0 1 272.314 3.865 20 0 CHADMN CSCCN[C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000589726742 1120090693 /nfs/dbraw/zinc/09/06/93/1120090693.db2.gz OAKHJIDHJUCMSA-JTQLQIEISA-N 0 1 296.436 3.963 20 0 CHADMN COc1ccccc1[C@H]1CCCN1C/C=C/Cl ZINC000069610892 1128889599 /nfs/dbraw/zinc/88/95/99/1128889599.db2.gz HCZDNHKVVBNBEJ-OMDQHUAHSA-N 0 1 251.757 3.585 20 0 CHADMN COC[C@@H](CC(C)(C)C)N[C@H](C)c1nc(C)sc1C ZINC000655831902 1120095446 /nfs/dbraw/zinc/09/54/46/1120095446.db2.gz OAUYACHXFVQVKD-ZWNOBZJWSA-N 0 1 284.469 3.862 20 0 CHADMN COc1c(C)cccc1CNCc1cc(C)sc1C ZINC000655834051 1120096182 /nfs/dbraw/zinc/09/61/82/1120096182.db2.gz ZKQNJLCNJBSSGO-UHFFFAOYSA-N 0 1 275.417 3.972 20 0 CHADMN CC1(C)Cc2occc2[C@@H](N[C@H]2c3ccccc3C[C@@H]2O)C1 ZINC000655840022 1120099097 /nfs/dbraw/zinc/09/90/97/1120099097.db2.gz CQEPZFYKDQJFPN-BQFCYCMXSA-N 0 1 297.398 3.541 20 0 CHADMN CCC(CC)[C@H](O)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000180521737 1120099550 /nfs/dbraw/zinc/09/95/50/1120099550.db2.gz BSCQSLUDMGGZLD-MOPGFXCFSA-N 0 1 298.430 3.558 20 0 CHADMN CC(C)(C)C[C@@H](O)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000180566457 1120100859 /nfs/dbraw/zinc/10/08/59/1120100859.db2.gz PUXXXAXHAZJSFO-AEFFLSMTSA-N 0 1 298.430 3.558 20 0 CHADMN Oc1c(Cl)cc(Cl)cc1CNc1ccncc1F ZINC000186426579 1120101619 /nfs/dbraw/zinc/10/16/19/1120101619.db2.gz VNNBARVHKXHKGU-UHFFFAOYSA-N 0 1 287.121 3.845 20 0 CHADMN COc1ccc2c(c1)CC[C@@H]2NCc1nc(C)c(C)s1 ZINC000631584900 1120103296 /nfs/dbraw/zinc/10/32/96/1120103296.db2.gz DWNCRHBUXHMPFV-HNNXBMFYSA-N 0 1 288.416 3.546 20 0 CHADMN C[C@@H](NC[C@@H]1CCCCO1)c1c(F)cccc1Cl ZINC000181731604 1120105699 /nfs/dbraw/zinc/10/56/99/1120105699.db2.gz IFYFKQKLOUTYBV-MNOVXSKESA-N 0 1 271.763 3.699 20 0 CHADMN COc1ccc2c(c1)[C@@H](NC/C=C/Cl)CCS2 ZINC000903443085 1120107661 /nfs/dbraw/zinc/10/76/61/1120107661.db2.gz BGFHGEMUFWBVQW-QSLRECBCSA-N 0 1 269.797 3.574 20 0 CHADMN COc1ccc([C@@H](N[C@@H](C)c2cc(C)n(C)n2)C2CC2)cc1 ZINC000282299316 1120109748 /nfs/dbraw/zinc/10/97/48/1120109748.db2.gz SNQOBYSXXNBMRT-UGSOOPFHSA-N 0 1 299.418 3.539 20 0 CHADMN Cc1cc(F)ccc1-c1noc([C@@H]2CCCN2C(C)C)n1 ZINC000923882869 1120112316 /nfs/dbraw/zinc/11/23/16/1120112316.db2.gz ZDGVWYQEANAHDI-AWEZNQCLSA-N 0 1 289.354 3.729 20 0 CHADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000659801154 1120113021 /nfs/dbraw/zinc/11/30/21/1120113021.db2.gz DXLMJXSKJLGRFZ-DOTOQJQBSA-N 0 1 287.403 3.633 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+](CCC1CC1)CC1CC1 ZINC000659804555 1120114609 /nfs/dbraw/zinc/11/46/09/1120114609.db2.gz ZLFMGLFPWYPCSP-NSHDSACASA-N 0 1 277.364 3.551 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(F)ccc2OC)cc1 ZINC000182415678 1120119593 /nfs/dbraw/zinc/11/95/93/1120119593.db2.gz OEFCYWDGRLPDTF-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN CCC1(C)CCN(Cc2csc(N(C)C3CC3)n2)CC1 ZINC000362238147 1120120201 /nfs/dbraw/zinc/12/02/01/1120120201.db2.gz RLLKDTMOZLDDDM-UHFFFAOYSA-N 0 1 293.480 3.754 20 0 CHADMN CCOc1cc(N[C@@H]2CCCc3[nH]ncc32)ccc1C ZINC000353603149 1128891679 /nfs/dbraw/zinc/89/16/79/1128891679.db2.gz GBIKAQDZNPHVOY-CQSZACIVSA-N 0 1 271.364 3.606 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000378736736 1120125749 /nfs/dbraw/zinc/12/57/49/1120125749.db2.gz NHZIVNMSVDBCLP-CHWSQXEVSA-N 0 1 293.432 3.765 20 0 CHADMN CN(CCC1CC1)Cc1ccc(Cl)nc1Cl ZINC000309553797 1120125968 /nfs/dbraw/zinc/12/59/68/1120125968.db2.gz JBBWXGLIGPRIAA-UHFFFAOYSA-N 0 1 259.180 3.620 20 0 CHADMN COc1ccc(CN2CC3CC(C3)C2)c(C(F)(F)F)c1 ZINC001143485225 1120126859 /nfs/dbraw/zinc/12/68/59/1120126859.db2.gz ZLYYMWACRQSDON-UHFFFAOYSA-N 0 1 285.309 3.556 20 0 CHADMN CCN(C)c1ccccc1CN[C@@H](C)c1ccc(C)o1 ZINC000765849047 1120130851 /nfs/dbraw/zinc/13/08/51/1120130851.db2.gz MKOXUNAELQBOJS-AWEZNQCLSA-N 0 1 272.392 3.895 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccc(OC)cc2)o1 ZINC000892741526 1120134049 /nfs/dbraw/zinc/13/40/49/1120134049.db2.gz COXIKPYZKMKETQ-GFCCVEGCSA-N 0 1 275.348 3.538 20 0 CHADMN Cc1ccc(C)c(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000135706760 1120145264 /nfs/dbraw/zinc/14/52/64/1120145264.db2.gz RXBQWSARSKTOFG-INIZCTEOSA-N 0 1 289.419 3.626 20 0 CHADMN Cc1ccc(CNCc2cccc(C)c2C)nc1C ZINC000313783001 1120149758 /nfs/dbraw/zinc/14/97/58/1120149758.db2.gz BFNJUSFGNINBOF-UHFFFAOYSA-N 0 1 254.377 3.605 20 0 CHADMN C[C@H](NCc1cncs1)c1ccc2ncsc2c1 ZINC000362524362 1120150180 /nfs/dbraw/zinc/15/01/80/1120150180.db2.gz HXCCTXUABRAAOP-VIFPVBQESA-N 0 1 275.402 3.604 20 0 CHADMN CC[C@@H](NCc1oc(C)nc1C)c1ccc(OC)cc1 ZINC000312506496 1120152934 /nfs/dbraw/zinc/15/29/34/1120152934.db2.gz ZXWJTDWOCHOUSW-OAHLLOKOSA-N 0 1 274.364 3.541 20 0 CHADMN CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1nc(C)c(C)s1 ZINC000362547904 1120153982 /nfs/dbraw/zinc/15/39/82/1120153982.db2.gz NRUIHFVYFKKPEK-ZIAGYGMSSA-N 0 1 296.480 3.785 20 0 CHADMN C[C@@H](NCc1ccccc1N(C)C)c1ccnc(Cl)c1 ZINC000773005094 1120155831 /nfs/dbraw/zinc/15/58/31/1120155831.db2.gz OGDBJIFZVMKWDE-GFCCVEGCSA-N 0 1 289.810 3.652 20 0 CHADMN C[C@@H](Cc1ccco1)N[C@@H]1COCc2cccc(Cl)c21 ZINC000924608579 1120156961 /nfs/dbraw/zinc/15/69/61/1120156961.db2.gz GIGYMQCMHSSZRT-XHDPSFHLSA-N 0 1 291.778 3.725 20 0 CHADMN CC[C@@H](NCc1ccoc1C)c1ccc(C(=O)OC)cc1 ZINC000590242663 1120161641 /nfs/dbraw/zinc/16/16/41/1120161641.db2.gz WPKGEBOBOHFBMX-MRXNPFEDSA-N 0 1 287.359 3.616 20 0 CHADMN COc1ccc(CNCc2ccc(C)c(F)c2)cc1F ZINC000073647222 1120162617 /nfs/dbraw/zinc/16/26/17/1120162617.db2.gz YUOMPRWOWRCLJL-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN c1nc2ccc(N[C@@H]3CCNc4ccccc43)cc2[nH]1 ZINC001168649059 1120163214 /nfs/dbraw/zinc/16/32/14/1120163214.db2.gz MFQKXHKGCNKWLM-CQSZACIVSA-N 0 1 264.332 3.532 20 0 CHADMN CCn1cc(CN[C@H](C)c2cccc(C(F)(F)F)c2)cn1 ZINC000112095336 1120167974 /nfs/dbraw/zinc/16/79/74/1120167974.db2.gz FCVGGDUTZONNGR-LLVKDONJSA-N 0 1 297.324 3.773 20 0 CHADMN Cc1nc(CSc2nc3ccc(C)cc3[nH]2)c(C)o1 ZINC000629088571 1128895601 /nfs/dbraw/zinc/89/56/01/1128895601.db2.gz JHIYKYFDLWMVPO-UHFFFAOYSA-N 0 1 273.361 3.768 20 0 CHADMN CC(C)Cc1ccc(CN[C@H](C)c2cccc(O)c2)cn1 ZINC000892941473 1120169721 /nfs/dbraw/zinc/16/97/21/1120169721.db2.gz AYFXXIIWUVTKSM-CQSZACIVSA-N 0 1 284.403 3.837 20 0 CHADMN C[C@@H]1CCCC[C@@H]1CCNCc1nnc(C2CC2)s1 ZINC000892950816 1120178087 /nfs/dbraw/zinc/17/80/87/1120178087.db2.gz JLJWYQHXCSCOSH-VXGBXAGGSA-N 0 1 279.453 3.722 20 0 CHADMN CCCSC[C@@H](C)NCc1coc(-c2ccccc2)n1 ZINC000892956794 1120180398 /nfs/dbraw/zinc/18/03/98/1120180398.db2.gz XBOHHORKLKOPGZ-CYBMUJFWSA-N 0 1 290.432 3.963 20 0 CHADMN c1cn(C2CC2)c(CN[C@H](CC2CC2)c2ccccc2)n1 ZINC000892961783 1120182236 /nfs/dbraw/zinc/18/22/36/1120182236.db2.gz GIXMCLQJHWWUTO-QGZVFWFLSA-N 0 1 281.403 3.849 20 0 CHADMN [O-]c1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1Cl ZINC000053148167 1120184083 /nfs/dbraw/zinc/18/40/83/1120184083.db2.gz LDZQBIZOKSXGDC-UHFFFAOYSA-N 0 1 282.170 3.989 20 0 CHADMN c1ccc(OC2CC2)c(CSc2nc(C3CC3)n[nH]2)c1 ZINC000629112673 1128897027 /nfs/dbraw/zinc/89/70/27/1128897027.db2.gz CUWQIDNRRGROKB-UHFFFAOYSA-N 0 1 287.388 3.516 20 0 CHADMN c1ccc(OC2CC2)c(CSc2n[nH]c(C3CC3)n2)c1 ZINC000629112673 1128897034 /nfs/dbraw/zinc/89/70/34/1128897034.db2.gz CUWQIDNRRGROKB-UHFFFAOYSA-N 0 1 287.388 3.516 20 0 CHADMN C[C@@H](NC1CC(C)C1)c1nc(C(F)(F)F)cs1 ZINC000343846978 1120189695 /nfs/dbraw/zinc/18/96/95/1120189695.db2.gz DTNBLDRUQXCRLF-ZUEIMRROSA-N 0 1 264.316 3.611 20 0 CHADMN CC[N@@H+](Cc1cc(C)nc(C)n1)[C@@H](C)c1cccc(OC)c1 ZINC000659852545 1120191904 /nfs/dbraw/zinc/19/19/04/1120191904.db2.gz MPUNHBWVPPMDNR-AWEZNQCLSA-N 0 1 299.418 3.685 20 0 CHADMN CCN(Cc1cc(C)nc(C)n1)[C@@H](C)c1cccc(OC)c1 ZINC000659852545 1120191907 /nfs/dbraw/zinc/19/19/07/1120191907.db2.gz MPUNHBWVPPMDNR-AWEZNQCLSA-N 0 1 299.418 3.685 20 0 CHADMN Cc1ccc(C)c(NC2CC(C)(C)N(O)C(C)(C)C2)n1 ZINC001167720134 1120192053 /nfs/dbraw/zinc/19/20/53/1120192053.db2.gz UPXXSAKHJSXXAU-UHFFFAOYSA-N 0 1 277.412 3.521 20 0 CHADMN COc1cc(CN(C)[C@@H](C)c2ccc(C)cc2C)sn1 ZINC000659854243 1120195231 /nfs/dbraw/zinc/19/52/31/1120195231.db2.gz YUJOJQMYTMSXQP-ZDUSSCGKSA-N 0 1 290.432 3.962 20 0 CHADMN CC(C)CC[C@@H]1CCCCN1Cc1nc(C(C)C)no1 ZINC000472826515 1120197709 /nfs/dbraw/zinc/19/77/09/1120197709.db2.gz NMDGKYZSWRAROK-AWEZNQCLSA-N 0 1 279.428 3.984 20 0 CHADMN CCCc1noc(CN2CCCC[C@H]2CCC(C)C)n1 ZINC000472828767 1120198561 /nfs/dbraw/zinc/19/85/61/1120198561.db2.gz AXKFCYTTZBSZPR-AWEZNQCLSA-N 0 1 279.428 3.813 20 0 CHADMN CCOC1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000060483837 1120199442 /nfs/dbraw/zinc/19/94/42/1120199442.db2.gz YGDKZSWKSHSPMQ-NSHDSACASA-N 0 1 269.335 3.527 20 0 CHADMN Cc1noc([C@@H](C)N(C)CC(C)(C)c2ccc(C)cc2)n1 ZINC000072759476 1120200992 /nfs/dbraw/zinc/20/09/92/1120200992.db2.gz BPWGVDJXTQSYTH-CYBMUJFWSA-N 0 1 287.407 3.657 20 0 CHADMN Cc1nc(CN(Cc2ccccc2)CC(C)C)c(C)o1 ZINC000659859567 1120201784 /nfs/dbraw/zinc/20/17/84/1120201784.db2.gz KSANQSOWQQJKER-UHFFFAOYSA-N 0 1 272.392 3.950 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccsc2)c1F ZINC000165846776 1120204167 /nfs/dbraw/zinc/20/41/67/1120204167.db2.gz PGGFZRLIGJDFTD-SNVBAGLBSA-N 0 1 265.353 3.747 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CCC([C@@H](C)O)CC1 ZINC000304344492 1120205424 /nfs/dbraw/zinc/20/54/24/1120205424.db2.gz XPEGMCHEZNRIQX-BDJLRTHQSA-N 0 1 283.362 3.509 20 0 CHADMN CCOc1ccc(CNCc2ccccc2CC)o1 ZINC000893037267 1120205525 /nfs/dbraw/zinc/20/55/25/1120205525.db2.gz OGLIUEZSNZAWAA-UHFFFAOYSA-N 0 1 259.349 3.531 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1ccc(C)c(C)c1 ZINC000073007327 1120207310 /nfs/dbraw/zinc/20/73/10/1120207310.db2.gz VZHOAGMDBAYYHE-GFCCVEGCSA-N 0 1 258.365 3.759 20 0 CHADMN Cc1nc(CN(C)CCCc2ccccc2)sc1C ZINC000088577786 1120210991 /nfs/dbraw/zinc/21/09/91/1120210991.db2.gz ZSJVEMKZUNYDIV-UHFFFAOYSA-N 0 1 274.433 3.825 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(F)c1O ZINC001267692254 1120211864 /nfs/dbraw/zinc/21/18/64/1120211864.db2.gz SFJUCRXRHSZKCI-CQSZACIVSA-N 0 1 299.345 3.508 20 0 CHADMN COCc1cccc(-c2cccc(CN(C)C)c2F)c1 ZINC001239937944 1120214273 /nfs/dbraw/zinc/21/42/73/1120214273.db2.gz FNGUXRCNZJZYHX-UHFFFAOYSA-N 0 1 273.351 3.701 20 0 CHADMN Cc1cccnc1CN[C@@H]1CCCc2ccc(F)cc21 ZINC001116879403 1120222685 /nfs/dbraw/zinc/22/26/85/1120222685.db2.gz ZBVIWCIRXQJZKX-MRXNPFEDSA-N 0 1 270.351 3.696 20 0 CHADMN CC(C)[C@@H]1OCCC[C@H]1CNCc1nc(C(C)(C)C)co1 ZINC000921816602 1120226087 /nfs/dbraw/zinc/22/60/87/1120226087.db2.gz GOABZSJQPBDIFL-BBRMVZONSA-N 0 1 294.439 3.513 20 0 CHADMN Cc1nc2c(n1Cc1ccc(C)c(F)c1)CCCC2 ZINC000629183106 1128900575 /nfs/dbraw/zinc/90/05/75/1128900575.db2.gz HJEYPHUSALWYSU-UHFFFAOYSA-N 0 1 258.340 3.566 20 0 CHADMN Cc1cc(F)ccc1CCNCc1nc(C(C)(C)C)co1 ZINC000921830694 1120232407 /nfs/dbraw/zinc/23/24/07/1120232407.db2.gz PHGWHPWZMGPFHW-UHFFFAOYSA-N 0 1 290.382 3.752 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CC[C@@H](C2CCCCC2)C1 ZINC000618183054 1128900681 /nfs/dbraw/zinc/90/06/81/1128900681.db2.gz UBESRQGTKXNAGI-OAHLLOKOSA-N 0 1 297.402 3.605 20 0 CHADMN CS[C@H]1CCC[C@@H](NCc2nnc(C(C)(C)C)s2)C1 ZINC000921840211 1120236459 /nfs/dbraw/zinc/23/64/59/1120236459.db2.gz ZADFTBPAYAEMQC-MNOVXSKESA-N 0 1 299.509 3.599 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@H](C)CCCc2ccccc2)n1 ZINC000843149049 1120245342 /nfs/dbraw/zinc/24/53/42/1120245342.db2.gz INOFYODQGGLLHR-UKRRQHHQSA-N 0 1 287.407 3.852 20 0 CHADMN CC(C)N(CC(F)F)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000179325783 1120245472 /nfs/dbraw/zinc/24/54/72/1120245472.db2.gz HKCXLNVUNRJYFI-UHFFFAOYSA-N 0 1 299.365 3.573 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1NCc1cn2ccccc2n1 ZINC000179395118 1120246899 /nfs/dbraw/zinc/24/68/99/1120246899.db2.gz UEGCHFSOQWABBZ-KUHUBIRLSA-N 0 1 291.398 3.748 20 0 CHADMN CCOC(=O)c1nc2ccc(N[C@@H](C)C(C)(C)C)cc2[nH]1 ZINC001168686103 1120248451 /nfs/dbraw/zinc/24/84/51/1120248451.db2.gz JQHPPGRBKWPERK-JTQLQIEISA-N 0 1 289.379 3.586 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H](c3ccncc3)C2)c1F ZINC000930517126 1120249352 /nfs/dbraw/zinc/24/93/52/1120249352.db2.gz UGHLJRJQONXUOO-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN c1c(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)onc1C1CC1 ZINC000659882059 1120251073 /nfs/dbraw/zinc/25/10/73/1120251073.db2.gz XJGBVBFMIFYZJJ-GOSISDBHSA-N 0 1 298.386 3.516 20 0 CHADMN c1c(CN2CCCO[C@@H](c3ccccc3)C2)onc1C1CC1 ZINC000659882059 1120251076 /nfs/dbraw/zinc/25/10/76/1120251076.db2.gz XJGBVBFMIFYZJJ-GOSISDBHSA-N 0 1 298.386 3.516 20 0 CHADMN CC[C@H](C)Oc1ccc(-c2nc([C@@H](N)C(C)C)no2)cc1 ZINC000843149298 1120253609 /nfs/dbraw/zinc/25/36/09/1120253609.db2.gz MICWNTBYOJBTLZ-FZMZJTMJSA-N 0 1 289.379 3.570 20 0 CHADMN CC[C@@H](C)C[C@H](C)Nc1ncnc2[nH]c(C(C)C)nc21 ZINC001168689007 1120254560 /nfs/dbraw/zinc/25/45/60/1120254560.db2.gz FGJVZWBBVHUERF-MNOVXSKESA-N 0 1 275.400 3.713 20 0 CHADMN CC[C@H](C)C[C@H](C)Nc1ncnc2[nH]c(C(C)C)nc21 ZINC001168689008 1120255399 /nfs/dbraw/zinc/25/53/99/1120255399.db2.gz FGJVZWBBVHUERF-QWRGUYRKSA-N 0 1 275.400 3.713 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H](C)CSc2ccccc2)n1 ZINC000843150913 1120256015 /nfs/dbraw/zinc/25/60/15/1120256015.db2.gz WMQZRPXPPGMPQL-AAEUAGOBSA-N 0 1 291.420 3.621 20 0 CHADMN CN(CC(=O)Nc1ccccc1C(C)(C)C)CC1CCC1 ZINC000111297104 1120258864 /nfs/dbraw/zinc/25/88/64/1120258864.db2.gz RVPDNJBVYFISDQ-UHFFFAOYSA-N 0 1 288.435 3.655 20 0 CHADMN CCc1cnc(CN2CC[C@H](c3ccccc3)[C@H](C)C2)o1 ZINC000075768411 1120266381 /nfs/dbraw/zinc/26/63/81/1120266381.db2.gz ZLRGWTOZZXYGDL-PBHICJAKSA-N 0 1 284.403 3.863 20 0 CHADMN CC[C@@H](C)C[C@H](C)Nc1cnccc1/C=C/N(C)C ZINC001168693066 1120271336 /nfs/dbraw/zinc/27/13/36/1120271336.db2.gz KJDHGENCCOIRKG-OJYSIEITSA-N 0 1 261.413 3.851 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCCCCC1 ZINC000008119214 1120276232 /nfs/dbraw/zinc/27/62/32/1120276232.db2.gz XAQDOUCUTQTTKQ-ZDUSSCGKSA-N 0 1 294.826 3.851 20 0 CHADMN Fc1cccc([C@H]2CN(C[C@H]3CC=CCC3)CCO2)c1 ZINC000092975542 1120298222 /nfs/dbraw/zinc/29/82/22/1120298222.db2.gz BUVIALZKVTVCFZ-WMLDXEAASA-N 0 1 275.367 3.555 20 0 CHADMN Cc1cc(CN2CCCCC[C@H]2c2ccco2)nc(C)n1 ZINC000659942017 1120299875 /nfs/dbraw/zinc/29/98/75/1120299875.db2.gz SBXPOYXFWBEPIZ-INIZCTEOSA-N 0 1 285.391 3.804 20 0 CHADMN CC[C@H]1C[N@@H+](CCCCC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000181575369 1120299949 /nfs/dbraw/zinc/29/99/49/1120299949.db2.gz HEQXZYHESULCBG-RDJZCZTQSA-N 0 1 289.419 3.757 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N1CCC[C@H]1C1CCCCC1 ZINC000387755650 1120300551 /nfs/dbraw/zinc/30/05/51/1120300551.db2.gz DRAIYLVRQZQXDU-INIZCTEOSA-N 0 1 297.402 3.748 20 0 CHADMN Cc1ccc(-c2noc(CN(C3CC3)C3CCCC3)n2)cc1 ZINC000064808774 1120303120 /nfs/dbraw/zinc/30/31/20/1120303120.db2.gz WFHPVZZSOIEGCZ-UHFFFAOYSA-N 0 1 297.402 3.952 20 0 CHADMN O=C1[C@H]2CCCCC2=NN1c1ccc(Cl)c(Cl)c1 ZINC000104708860 1120305094 /nfs/dbraw/zinc/30/50/94/1120305094.db2.gz HPJQVDAXHNZYBJ-VIFPVBQESA-N 0 1 283.158 3.886 20 0 CHADMN O=c1c2c([nH]n1-c1ccc(Cl)c(Cl)c1)CCCC2 ZINC000104708860 1120305099 /nfs/dbraw/zinc/30/50/99/1120305099.db2.gz HPJQVDAXHNZYBJ-VIFPVBQESA-N 0 1 283.158 3.886 20 0 CHADMN CCS[C@@H](C(=O)Nc1cccc(Cl)c1O)C(C)C ZINC000077012487 1120305785 /nfs/dbraw/zinc/30/57/85/1120305785.db2.gz VZJBTVHIEIPMCA-GFCCVEGCSA-N 0 1 287.812 3.762 20 0 CHADMN Cc1nnc(CN[C@H](C)Cc2ccc(C(C)C)cc2)s1 ZINC000893211748 1120308052 /nfs/dbraw/zinc/30/80/52/1120308052.db2.gz XAXDMTSXRQKXHH-GFCCVEGCSA-N 0 1 289.448 3.691 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccccc3)[C@@H](C)C2)co1 ZINC000659957263 1120309329 /nfs/dbraw/zinc/30/93/29/1120309329.db2.gz ZBKVDQXCQMXHKX-GUYCJALGSA-N 0 1 270.376 3.609 20 0 CHADMN CCO[C@@H](C)c1nc(CN(C)CC2CC=CC2)cs1 ZINC000659958638 1120310886 /nfs/dbraw/zinc/31/08/86/1120310886.db2.gz BTKYMZAABQFSNL-LBPRGKRZSA-N 0 1 280.437 3.639 20 0 CHADMN c1c(CN2CCC(C3CCCC3)CC2)onc1C1CC1 ZINC000659961145 1120311205 /nfs/dbraw/zinc/31/12/05/1120311205.db2.gz QWQSJRURZBTRRF-UHFFFAOYSA-N 0 1 274.408 3.954 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2F)N(CCO[C@@H]2CC2(F)F)C1 ZINC000659963495 1120312744 /nfs/dbraw/zinc/31/27/44/1120312744.db2.gz ZVUFYLYNJOQUNN-BYCMXARLSA-N 0 1 299.336 3.633 20 0 CHADMN C[C@H](C(=O)Nc1cc(Cl)c(O)cc1F)C1CCCC1 ZINC000672485422 1120313572 /nfs/dbraw/zinc/31/35/72/1120313572.db2.gz MYOXBSDGQMQBKI-QMMMGPOBSA-N 0 1 285.746 3.950 20 0 CHADMN CC(C)CCN(C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000077211666 1120319533 /nfs/dbraw/zinc/31/95/33/1120319533.db2.gz CKEKNCKNHDOFNB-NSHDSACASA-N 0 1 279.409 3.837 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000629364778 1128907877 /nfs/dbraw/zinc/90/78/77/1128907877.db2.gz SWHLVZZVHTUNEX-AAEUAGOBSA-N 0 1 295.345 3.542 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000629365449 1128907934 /nfs/dbraw/zinc/90/79/34/1128907934.db2.gz WJVNQKBYNFWWQJ-HUUCEWRRSA-N 0 1 269.429 3.922 20 0 CHADMN CCc1ccc(CNCc2nc3ccccc3n2CC)s1 ZINC000077328404 1120326296 /nfs/dbraw/zinc/32/62/96/1120326296.db2.gz SIGKXGOPTSNRJY-UHFFFAOYSA-N 0 1 299.443 3.970 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000629364827 1128908460 /nfs/dbraw/zinc/90/84/60/1128908460.db2.gz QJNOVRNRRQILLL-HOCLYGCPSA-N 0 1 269.429 3.636 20 0 CHADMN Fc1cccc(CN2C[C@@H]3CCC[C@H]3C2)c1OC(F)F ZINC000659998149 1120332566 /nfs/dbraw/zinc/33/25/66/1120332566.db2.gz NKHVKJLKIIFNJD-QWRGUYRKSA-N 0 1 285.309 3.659 20 0 CHADMN CC[C@@H]1CC[C@@H]1NCc1c(F)c(F)cc(F)c1F ZINC000672605867 1120333524 /nfs/dbraw/zinc/33/35/24/1120333524.db2.gz YASQKYGEEAIJGN-HQJQHLMTSA-N 0 1 261.262 3.521 20 0 CHADMN CC(C)(C)[C@@H]1CC[C@H]1Nc1cnn(-c2ccncc2)c1 ZINC000672607202 1120334225 /nfs/dbraw/zinc/33/42/25/1120334225.db2.gz UXLOOAIWUJCJHM-HUUCEWRRSA-N 0 1 270.380 3.504 20 0 CHADMN CC(C)(C)[C@H]1CC[C@@H]1Nc1cnn(-c2ccncc2)c1 ZINC000672607201 1120334369 /nfs/dbraw/zinc/33/43/69/1120334369.db2.gz UXLOOAIWUJCJHM-GJZGRUSLSA-N 0 1 270.380 3.504 20 0 CHADMN Cc1nocc1CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000339175419 1120334665 /nfs/dbraw/zinc/33/46/65/1120334665.db2.gz YHUXQPFNMZMJSK-OAHLLOKOSA-N 0 1 262.328 3.609 20 0 CHADMN FC1(F)CCC[C@@H]1N[C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000672621962 1120336035 /nfs/dbraw/zinc/33/60/35/1120336035.db2.gz PLKSTRCQMXGBMJ-CFVMTHIKSA-N 0 1 280.362 3.885 20 0 CHADMN CC(C)=CCCN1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000660003963 1120336373 /nfs/dbraw/zinc/33/63/73/1120336373.db2.gz XKHMDWPFVZZGNG-DZGCQCFKSA-N 0 1 265.422 3.866 20 0 CHADMN CC[C@H](Cc1ccccc1)[N@@H+](CC)Cc1coc(C)n1 ZINC000660002089 1120336582 /nfs/dbraw/zinc/33/65/82/1120336582.db2.gz DCICIALOSMISPH-QGZVFWFLSA-N 0 1 272.392 3.826 20 0 CHADMN Cc1cc([C@@H](C)[N@H+]2CCCC3(CC3)CC2)oc1C(=O)[O-] ZINC000629377468 1128909063 /nfs/dbraw/zinc/90/90/63/1128909063.db2.gz IFFSPNVCARBHFA-GFCCVEGCSA-N 0 1 277.364 3.613 20 0 CHADMN CC(C)c1cnc(CN2CC[C@H](c3ccco3)C2)s1 ZINC000363854730 1120338849 /nfs/dbraw/zinc/33/88/49/1120338849.db2.gz VSSPUCWRYMSJDN-LBPRGKRZSA-N 0 1 276.405 3.849 20 0 CHADMN CCc1ccc([C@H](NCc2cc(OC)no2)C(C)C)cc1 ZINC000660020751 1120342755 /nfs/dbraw/zinc/34/27/55/1120342755.db2.gz GCBYPDTYYDLZCV-QGZVFWFLSA-N 0 1 288.391 3.733 20 0 CHADMN CSCc1cccc(CNCc2cccc3c2OCC3)c1 ZINC000922037781 1120344392 /nfs/dbraw/zinc/34/43/92/1120344392.db2.gz JGEJWMCIKUVMFO-UHFFFAOYSA-N 0 1 299.439 3.774 20 0 CHADMN COc1ccccc1CNCc1cnc(C(C)C)s1 ZINC000130566470 1120345184 /nfs/dbraw/zinc/34/51/84/1120345184.db2.gz KMPCKYZUYUYHDX-UHFFFAOYSA-N 0 1 276.405 3.565 20 0 CHADMN CCCn1cc(CN[C@H](C)c2cc3ccccc3o2)cn1 ZINC000116912464 1120349142 /nfs/dbraw/zinc/34/91/42/1120349142.db2.gz UYYFRCXKWKTMDT-CYBMUJFWSA-N 0 1 283.375 3.890 20 0 CHADMN COCc1cccc(CNCc2cc(C)ccc2F)c1 ZINC000116913690 1120349385 /nfs/dbraw/zinc/34/93/85/1120349385.db2.gz LBJWSQVOVYGRFI-UHFFFAOYSA-N 0 1 273.351 3.570 20 0 CHADMN [O-]c1cccc2c(N[C@H](C3CC3)C3CCOCC3)cc[nH+]c12 ZINC000651402269 1120361486 /nfs/dbraw/zinc/36/14/86/1120361486.db2.gz SDPUHAIQQKCGKM-QGZVFWFLSA-N 0 1 298.386 3.558 20 0 CHADMN CC1(C)CN(Cc2sc3ccccc3c2Cl)C[C@H]1O ZINC000388074206 1120363415 /nfs/dbraw/zinc/36/34/15/1120363415.db2.gz QYZQIDZIOMHHQY-CYBMUJFWSA-N 0 1 295.835 3.757 20 0 CHADMN CC(C)C1CCC(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)CC1 ZINC000312526330 1120366810 /nfs/dbraw/zinc/36/68/10/1120366810.db2.gz CPKYLIRPFYDZER-PCKAHOCUSA-N 0 1 281.440 3.636 20 0 CHADMN COc1ccc(CNCc2cc(C)cc(Cl)n2)c(C)c1 ZINC000922106687 1120368456 /nfs/dbraw/zinc/36/84/56/1120368456.db2.gz QWQXVTYIQWRPKD-UHFFFAOYSA-N 0 1 290.794 3.650 20 0 CHADMN COCCOc1ccccc1CNCc1cc(C)cc(C)c1 ZINC000065932739 1120370018 /nfs/dbraw/zinc/37/00/18/1120370018.db2.gz LLHSYZKHHSUKKA-UHFFFAOYSA-N 0 1 299.414 3.618 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(-c2ccc(C)cc2F)no1 ZINC000843211902 1120371237 /nfs/dbraw/zinc/37/12/37/1120371237.db2.gz HDRJCNLOJQBNCY-CYBMUJFWSA-N 0 1 291.370 3.881 20 0 CHADMN Cc1cnc([C@H](C)N[C@H]2C[C@H](OC(C)C)C2(C)C)s1 ZINC000185235480 1120373033 /nfs/dbraw/zinc/37/30/33/1120373033.db2.gz AQHRLERGANXLEA-AVGNSLFASA-N 0 1 282.453 3.694 20 0 CHADMN C[C@@H](c1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000078299873 1120375353 /nfs/dbraw/zinc/37/53/53/1120375353.db2.gz ZQBJAVLJRLYWSS-HNNXBMFYSA-N 0 1 284.378 3.709 20 0 CHADMN CSc1cccc(CN(C)[C@H](C)c2cccnc2)c1 ZINC000660139751 1120393789 /nfs/dbraw/zinc/39/37/89/1120393789.db2.gz FVNNMCWJGSJEOE-CYBMUJFWSA-N 0 1 272.417 3.997 20 0 CHADMN C[C@@H]1C[C@@H](C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)CCO1 ZINC000511599097 1120397684 /nfs/dbraw/zinc/39/76/84/1120397684.db2.gz YJPCEAHXJDDHIH-WWGRRREGSA-N 0 1 279.811 3.902 20 0 CHADMN CCCOc1ccc(CN[C@H](C)c2c(C)noc2C)cc1 ZINC000078679723 1120399219 /nfs/dbraw/zinc/39/92/19/1120399219.db2.gz KBHUTQGHZNMOQX-GFCCVEGCSA-N 0 1 288.391 3.931 20 0 CHADMN Cc1ccc(CN(C[C@@H]2CCC(C)(C)O2)C2CC2)o1 ZINC000681398159 1120400765 /nfs/dbraw/zinc/40/07/65/1120400765.db2.gz DHUWNHKMPVSMOY-HNNXBMFYSA-N 0 1 263.381 3.510 20 0 CHADMN CN(Cc1occc1Br)C[C@H]1CC1(C)C ZINC001143128377 1120404015 /nfs/dbraw/zinc/40/40/15/1120404015.db2.gz PVEMXQLDTNJQDS-SECBINFHSA-N 0 1 272.186 3.520 20 0 CHADMN Fc1ccc(C2CC2)cc1CN[C@@H]1CCCc2n[nH]cc21 ZINC000453264620 1120404200 /nfs/dbraw/zinc/40/42/00/1120404200.db2.gz WKJAYDAIAWJTFJ-MRXNPFEDSA-N 0 1 285.366 3.593 20 0 CHADMN Cc1ccc(Cc2noc([C@H]3CCCN3C(C)C)n2)cc1C ZINC000924122426 1120404289 /nfs/dbraw/zinc/40/42/89/1120404289.db2.gz ICGRDYKGHLOHMN-MRXNPFEDSA-N 0 1 299.418 3.823 20 0 CHADMN Clc1ncsc1CN1CCCCCCCC1 ZINC001137825167 1120407404 /nfs/dbraw/zinc/40/74/04/1120407404.db2.gz ZZFPFVQASXTGKJ-UHFFFAOYSA-N 0 1 258.818 3.953 20 0 CHADMN CC(C)CC1(CNCc2c(F)ccc(O)c2F)CC1 ZINC000511606849 1120408424 /nfs/dbraw/zinc/40/84/24/1120408424.db2.gz YFHXJFWBCNHDKS-UHFFFAOYSA-N 0 1 269.335 3.586 20 0 CHADMN CCCc1noc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000066897910 1120417155 /nfs/dbraw/zinc/41/71/55/1120417155.db2.gz RNZKOQURKDTPNN-MRXNPFEDSA-N 0 1 299.418 3.792 20 0 CHADMN CCCc1noc(CN2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000066897910 1120417160 /nfs/dbraw/zinc/41/71/60/1120417160.db2.gz RNZKOQURKDTPNN-MRXNPFEDSA-N 0 1 299.418 3.792 20 0 CHADMN Cc1ccnc(CN2CCC[C@H]2c2cccc(F)c2)c1 ZINC000683004853 1120432974 /nfs/dbraw/zinc/43/29/74/1120432974.db2.gz LQIPUXBKWZWZBP-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CO[C@H](CN[C@H](C)c1csc(C(C)C)n1)CC(C)C ZINC000417380321 1120439690 /nfs/dbraw/zinc/43/96/90/1120439690.db2.gz UTMDWRKWZGTHHN-OLZOCXBDSA-N 0 1 284.469 3.978 20 0 CHADMN Cc1c([C@H](C)N[C@@H]2COCc3ccccc32)cnn1C(C)C ZINC000417371718 1120439761 /nfs/dbraw/zinc/43/97/61/1120439761.db2.gz VVWPXPPLUKOMPE-SCLBCKFNSA-N 0 1 299.418 3.695 20 0 CHADMN COc1ccc([C@H](NCc2cc(C3CC3)no2)C2CC2)cc1 ZINC000660208168 1120443215 /nfs/dbraw/zinc/44/32/15/1120443215.db2.gz KVEAJEYGCFATAE-GOSISDBHSA-N 0 1 298.386 3.802 20 0 CHADMN CC1=C[C@H](C)C[C@@H](CN2CCOC[C@H]2c2ccco2)C1 ZINC000685837175 1120445590 /nfs/dbraw/zinc/44/55/90/1120445590.db2.gz NMNBVCCDXUWPOD-IMJJTQAJSA-N 0 1 275.392 3.645 20 0 CHADMN CN(Cc1nc(-c2ccccc2)no1)C[C@@H]1CC=CCC1 ZINC000543178269 1120452630 /nfs/dbraw/zinc/45/26/30/1120452630.db2.gz OVRYZSGEYQOHQV-CQSZACIVSA-N 0 1 283.375 3.525 20 0 CHADMN Cc1c[nH]c(CN[C@@H]2c3ccccc3CCC[C@H]2C)n1 ZINC000657433960 1120455874 /nfs/dbraw/zinc/45/58/74/1120455874.db2.gz CRVPQOOINCJVCB-PXAZEXFGSA-N 0 1 269.392 3.521 20 0 CHADMN C/C=C\c1ccc(NC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000673352785 1120455904 /nfs/dbraw/zinc/45/59/04/1120455904.db2.gz HGHGFALRTLOUJD-XBPVQUQDSA-N 0 1 281.359 3.501 20 0 CHADMN CC(C)=CCC[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000660236081 1120457350 /nfs/dbraw/zinc/45/73/50/1120457350.db2.gz VYYFJQRCRLDAGL-UHFFFAOYSA-N 0 1 299.393 3.726 20 0 CHADMN CC(C)=CCCN1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000660236081 1120457352 /nfs/dbraw/zinc/45/73/52/1120457352.db2.gz VYYFJQRCRLDAGL-UHFFFAOYSA-N 0 1 299.393 3.726 20 0 CHADMN CCn1cc(CN(C)[C@H]2CCc3ccc(Cl)cc32)cn1 ZINC000543207154 1120463368 /nfs/dbraw/zinc/46/33/68/1120463368.db2.gz MRMBBKRMPUKQBT-INIZCTEOSA-N 0 1 289.810 3.676 20 0 CHADMN CC[C@H](NC[C@H](OC)C1CCCCC1)c1nccs1 ZINC000660253269 1120467863 /nfs/dbraw/zinc/46/78/63/1120467863.db2.gz GSSIVZCIJQRTKR-KBPBESRZSA-N 0 1 282.453 3.779 20 0 CHADMN Cc1ccccc1C1(NCc2cnn(CC3CCC3)c2)CC1 ZINC000922209910 1120468140 /nfs/dbraw/zinc/46/81/40/1120468140.db2.gz TVNDKQUAKJHFRM-UHFFFAOYSA-N 0 1 295.430 3.771 20 0 CHADMN C(=C\c1ccccc1)\CN(Cc1ccco1)C[C@H]1CCCO1 ZINC000511639419 1120469897 /nfs/dbraw/zinc/46/98/97/1120469897.db2.gz GAYYFJGHVDRFHX-ZONXLDJSSA-N 0 1 297.398 3.974 20 0 CHADMN CC(C)Oc1ccc([C@H](C)NCc2ccc(F)nc2)cc1 ZINC000188993562 1120470970 /nfs/dbraw/zinc/47/09/70/1120470970.db2.gz HBCFZFRERRANNW-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN CC(C)(C)c1coc(CNCC[C@]2(C)C[C@@]2(F)Cl)n1 ZINC000922216786 1120473492 /nfs/dbraw/zinc/47/34/92/1120473492.db2.gz WWHBSAHCHZBMQB-KGLIPLIRSA-N 0 1 288.794 3.766 20 0 CHADMN CCN(Cc1cncn1CC)[C@@H](C)c1ccc(F)cc1 ZINC000417724510 1120477483 /nfs/dbraw/zinc/47/74/83/1120477483.db2.gz DUPLLCROXZRPDA-ZDUSSCGKSA-N 0 1 275.371 3.625 20 0 CHADMN Cc1cc(CN(C2CC2)[C@@H]2CCCc3ccccc32)n(C)n1 ZINC000417718184 1120477757 /nfs/dbraw/zinc/47/77/57/1120477757.db2.gz NVUFZTMDWKYENP-LJQANCHMSA-N 0 1 295.430 3.771 20 0 CHADMN CCn1nccc1CN1CCCC[C@@H]1c1ccccc1 ZINC000358277564 1120477822 /nfs/dbraw/zinc/47/78/22/1120477822.db2.gz KSSASDVPGHEMJD-QGZVFWFLSA-N 0 1 269.392 3.630 20 0 CHADMN c1sc(-c2ccccc2)nc1CNC[C@H]1CCC=CO1 ZINC000189562839 1120485199 /nfs/dbraw/zinc/48/51/99/1120485199.db2.gz VTYKPEHCDGHGTF-OAHLLOKOSA-N 0 1 286.400 3.592 20 0 CHADMN c1ccc(CO[C@H]2CCN3Cc4ccccc4N=C23)cc1 ZINC001204638707 1120488466 /nfs/dbraw/zinc/48/84/66/1120488466.db2.gz VMXDWLPDJMHTFV-KRWDZBQOSA-N 0 1 278.355 3.521 20 0 CHADMN Cc1ccccc1[C@@H](c1noc(CNCC2CC2)n1)C(C)C ZINC000843235737 1120489597 /nfs/dbraw/zinc/48/95/97/1120489597.db2.gz WWZXYPSHNUOTMU-KRWDZBQOSA-N 0 1 299.418 3.666 20 0 CHADMN c1coc([C@@H]2N(CCc3ccns3)CC23CCCC3)c1 ZINC000930965642 1120490867 /nfs/dbraw/zinc/49/08/67/1120490867.db2.gz LLKFJOCFEWETNA-HNNXBMFYSA-N 0 1 288.416 3.896 20 0 CHADMN COC/C(C)=C/CN1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000930999031 1120496722 /nfs/dbraw/zinc/49/67/22/1120496722.db2.gz YAGYQOJAVMMYHK-WDBUWWRISA-N 0 1 293.382 3.564 20 0 CHADMN CCOc1ccc(Cl)cc1CCN[C@@H](C)c1ncco1 ZINC000925634546 1120497036 /nfs/dbraw/zinc/49/70/36/1120497036.db2.gz OFLVOCAADXJZED-NSHDSACASA-N 0 1 294.782 3.620 20 0 CHADMN Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)Cc1ccn[nH]1 ZINC000673460371 1120497603 /nfs/dbraw/zinc/49/76/03/1120497603.db2.gz GMMVFVUHLHMVJR-HNNXBMFYSA-N 0 1 299.418 3.506 20 0 CHADMN CC[C@@H](N[C@@H](c1ccc(F)cc1)C(C)C)c1ccn(C)n1 ZINC000503887641 1120498615 /nfs/dbraw/zinc/49/86/15/1120498615.db2.gz RNQBZXFFWZNEPZ-NVXWUHKLSA-N 0 1 289.398 3.997 20 0 CHADMN C[C@H](N[C@H]1CCc2ccc(O)cc21)c1ccccc1F ZINC000657694850 1120509817 /nfs/dbraw/zinc/50/98/17/1120509817.db2.gz WPTUVDVJITUPKZ-GTNSWQLSSA-N 0 1 271.335 3.869 20 0 CHADMN CCCCCc1cc(C(=O)N2CCCC3(CC3)CC2)n[nH]1 ZINC000629641609 1128920920 /nfs/dbraw/zinc/92/09/20/1128920920.db2.gz SSBBFDBIQDZVNF-UHFFFAOYSA-N 0 1 289.423 3.549 20 0 CHADMN COC(=O)c1coc([C@H](C)N[C@H]2CCc3ccc(C)cc32)c1 ZINC000618571701 1128920974 /nfs/dbraw/zinc/92/09/74/1128920974.db2.gz NBMISYCZGGAUFV-LRDDRELGSA-N 0 1 299.370 3.713 20 0 CHADMN C[C@H](NCc1cnn(C2CCC2)c1)c1cc2cnccc2o1 ZINC000922321154 1120510726 /nfs/dbraw/zinc/51/07/26/1120510726.db2.gz SBCVPFKTHYCKTC-LBPRGKRZSA-N 0 1 296.374 3.600 20 0 CHADMN Cc1cc(Nc2ccc3c[nH+]ccc3c2)ccc1C(=O)[O-] ZINC001211654994 1120512807 /nfs/dbraw/zinc/51/28/07/1120512807.db2.gz IWXLKDDPSDFWMW-UHFFFAOYSA-N 0 1 278.311 3.985 20 0 CHADMN Fc1ccc2c(c1)nccc2NC[C@H]1COc2ccccc21 ZINC000673510620 1120518367 /nfs/dbraw/zinc/51/83/67/1120518367.db2.gz PWDMGMQVIOPCBS-LBPRGKRZSA-N 0 1 294.329 3.962 20 0 CHADMN C[C@H](NCc1cncs1)c1ccc(C2CC2)cc1 ZINC000418115608 1120519809 /nfs/dbraw/zinc/51/98/09/1120519809.db2.gz PMAQXSVJGGLEFN-NSHDSACASA-N 0 1 258.390 3.871 20 0 CHADMN CCOc1nnc(CN[C@H](C)[C@H](C)C2CCCCC2)s1 ZINC000543463907 1120527342 /nfs/dbraw/zinc/52/73/42/1120527342.db2.gz XEUQRQMNEAQCEE-NWDGAFQWSA-N 0 1 297.468 3.631 20 0 CHADMN Cc1ccc(NC(=O)c2ccc(O)c(Cl)c2)c(C)c1 ZINC000019836810 1120527994 /nfs/dbraw/zinc/52/79/94/1120527994.db2.gz SPCSWLKFZSFZPH-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN FC(F)(F)c1ccc(CN[C@@H]2CCCn3nccc32)cc1 ZINC000657826367 1120533831 /nfs/dbraw/zinc/53/38/31/1120533831.db2.gz IOORGIINAWFWQM-CYBMUJFWSA-N 0 1 295.308 3.527 20 0 CHADMN Cc1ccc(CNCc2cccc(C(F)(F)F)c2)o1 ZINC000019906694 1120545033 /nfs/dbraw/zinc/54/50/33/1120545033.db2.gz CLJVGSSILDTEGT-UHFFFAOYSA-N 0 1 269.266 3.897 20 0 CHADMN Cc1[nH]nc(CNc2ccccc2COC(C)(C)C)c1C ZINC000922552630 1120549647 /nfs/dbraw/zinc/54/96/47/1120549647.db2.gz LWZISTPJESEDRW-UHFFFAOYSA-N 0 1 287.407 3.954 20 0 CHADMN COc1ccc([C@H](C)NCc2ccccc2F)cc1 ZINC000019950056 1120550196 /nfs/dbraw/zinc/55/01/96/1120550196.db2.gz SVUOZWFWEKXOCR-LBPRGKRZSA-N 0 1 259.324 3.685 20 0 CHADMN C[C@H](N[C@@H](c1ccccn1)C1CCC1)c1ccc(F)nc1 ZINC000931173876 1120552060 /nfs/dbraw/zinc/55/20/60/1120552060.db2.gz UOGJNEVBKLYSRL-YVEFUNNKSA-N 0 1 285.366 3.808 20 0 CHADMN Fc1cc(CN[C@H](c2ccccn2)C2CC2)cc(F)c1F ZINC000922584825 1120557228 /nfs/dbraw/zinc/55/72/28/1120557228.db2.gz BFDHJLOCYHNRAN-INIZCTEOSA-N 0 1 292.304 3.740 20 0 CHADMN Clc1ccc(CN[C@@H](c2ccccn2)C2CC2)cc1 ZINC000922585940 1120558766 /nfs/dbraw/zinc/55/87/66/1120558766.db2.gz QSTXUBCKFFURGX-MRXNPFEDSA-N 0 1 272.779 3.976 20 0 CHADMN CCOc1ccccc1[C@H](CC)N[C@@H]1CCCn2nccc21 ZINC000657865599 1120563470 /nfs/dbraw/zinc/56/34/70/1120563470.db2.gz UVTQOHOETDJUKK-JKSUJKDBSA-N 0 1 299.418 3.858 20 0 CHADMN CC[C@H](NCc1cnccc1C)c1cc(F)ccc1OC ZINC000922622827 1120564723 /nfs/dbraw/zinc/56/47/23/1120564723.db2.gz RMQLPPSBJCQEII-INIZCTEOSA-N 0 1 288.366 3.779 20 0 CHADMN CC(C)Cc1ccc([C@@H](NCc2cn(C)cn2)C2CC2)cc1 ZINC000673601050 1120568434 /nfs/dbraw/zinc/56/84/34/1120568434.db2.gz RTEUUTIYNGPANO-LJQANCHMSA-N 0 1 297.446 3.860 20 0 CHADMN CC(C)(/C=C\Cl)NCc1cnc(C2CC2)s1 ZINC000922647341 1120570671 /nfs/dbraw/zinc/57/06/71/1120570671.db2.gz AOQGDPVZRUYCMG-WAYWQWQTSA-N 0 1 256.802 3.641 20 0 CHADMN C[C@@H]1C[C@@H]1[C@H](NCc1cn(C)cn1)c1ccc(Cl)cc1 ZINC000673602881 1120571476 /nfs/dbraw/zinc/57/14/76/1120571476.db2.gz FEYAHNHBSHOVRZ-XFBWCDHKSA-N 0 1 289.810 3.560 20 0 CHADMN C[C@@H]1C[C@@H]1[C@@H](NCc1cn(C)cn1)c1ccc(Cl)cc1 ZINC000673602880 1120571939 /nfs/dbraw/zinc/57/19/39/1120571939.db2.gz FEYAHNHBSHOVRZ-RLCCDNCMSA-N 0 1 289.810 3.560 20 0 CHADMN CCCN1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000428933979 1120574212 /nfs/dbraw/zinc/57/42/12/1120574212.db2.gz VPJRLWOZFSSPRM-FZMZJTMJSA-N 0 1 287.325 3.877 20 0 CHADMN CCc1cc(CN[C@H](C)c2ccc(F)cc2Cl)[nH]n1 ZINC000765995782 1120575971 /nfs/dbraw/zinc/57/59/71/1120575971.db2.gz XHRUTHLPTNWVBB-SECBINFHSA-N 0 1 281.762 3.615 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cncc(F)c2)cc1C ZINC000922672138 1120576629 /nfs/dbraw/zinc/57/66/29/1120576629.db2.gz NHVHYMBEZBFVPJ-STQMWFEESA-N 0 1 288.366 3.950 20 0 CHADMN CCc1cc(CN[C@@H](C)c2ccc(SC)c(F)c2)[nH]n1 ZINC000765995250 1120577509 /nfs/dbraw/zinc/57/75/09/1120577509.db2.gz SXFWWDNKALVMPG-JTQLQIEISA-N 0 1 293.411 3.684 20 0 CHADMN CCc1cc(CN[C@@H](C)c2ccc(SC)c(F)c2)n[nH]1 ZINC000765995250 1120577511 /nfs/dbraw/zinc/57/75/11/1120577511.db2.gz SXFWWDNKALVMPG-JTQLQIEISA-N 0 1 293.411 3.684 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)[C@@H](C)c1cnc(C)cn1 ZINC000428941270 1120577688 /nfs/dbraw/zinc/57/76/88/1120577688.db2.gz ICEARKRYLUOBFZ-DNXIFWLFSA-N 0 1 281.403 3.881 20 0 CHADMN COc1ccc([C@H](C)NCc2cnn(C3CCC3)c2)cc1C ZINC000922674105 1120579667 /nfs/dbraw/zinc/57/96/67/1120579667.db2.gz FYBDFDOFKHBKPI-AWEZNQCLSA-N 0 1 299.418 3.776 20 0 CHADMN C[C@H]1CCSCCN1Cc1nsc2ccccc21 ZINC000660402276 1120582382 /nfs/dbraw/zinc/58/23/82/1120582382.db2.gz FGFOPSXOHDWYJK-NSHDSACASA-N 0 1 278.446 3.624 20 0 CHADMN CCN(Cc1n[nH]c(C(C)C)n1)c1ccccc1Cl ZINC000428957232 1120587838 /nfs/dbraw/zinc/58/78/38/1120587838.db2.gz PZSCRHKFWJKBAW-UHFFFAOYSA-N 0 1 278.787 3.608 20 0 CHADMN CCc1ccc2ccccc2c1CNCc1n[nH]cc1C ZINC000922721020 1120588883 /nfs/dbraw/zinc/58/88/83/1120588883.db2.gz USNBIZJLWKLQDY-UHFFFAOYSA-N 0 1 279.387 3.724 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cncs1 ZINC000093438908 1120590421 /nfs/dbraw/zinc/59/04/21/1120590421.db2.gz DVHASWFFDVFMHD-HNNXBMFYSA-N 0 1 258.390 3.653 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CC[C@H](CC(F)(F)F)C1 ZINC000428983110 1120598171 /nfs/dbraw/zinc/59/81/71/1120598171.db2.gz DGRVPRCDAVYKQX-LLVKDONJSA-N 0 1 290.329 3.881 20 0 CHADMN FC1(F)CCC[C@@H]1NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000673618561 1120602085 /nfs/dbraw/zinc/60/20/85/1120602085.db2.gz QVHZEVIKEYIPRV-MJBXVCDLSA-N 0 1 251.320 3.568 20 0 CHADMN C[C@H](CF)NCc1ccc(OCc2ccccc2)cc1 ZINC000673619131 1120603292 /nfs/dbraw/zinc/60/32/92/1120603292.db2.gz GHGRFKSVOUEWAC-CQSZACIVSA-N 0 1 273.351 3.713 20 0 CHADMN CS[C@@H]1CC[C@H]1N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343867993 1120606875 /nfs/dbraw/zinc/60/68/75/1120606875.db2.gz VEDUHTFPPLQDKO-BWZBUEFSSA-N 0 1 296.383 3.707 20 0 CHADMN CCC[C@@]1(COC)CCCN1Cc1cnc(Cl)s1 ZINC000194923002 1120610448 /nfs/dbraw/zinc/61/04/48/1120610448.db2.gz JDZDILXSFOFSBC-ZDUSSCGKSA-N 0 1 288.844 3.578 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000322922947 1120610466 /nfs/dbraw/zinc/61/04/66/1120610466.db2.gz LFYXEVDUOIQYDI-TWVNLXSWSA-N 0 1 287.403 3.523 20 0 CHADMN Fc1ccc([C@@H]2CCN(Cc3ccncc3Cl)C2)cc1 ZINC000473062176 1120611331 /nfs/dbraw/zinc/61/13/31/1120611331.db2.gz XBRLCOVDRPEQCS-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN COc1cc(C)c(-c2cccc([C@H]3COCCN3)c2)cc1C ZINC000629710256 1128928695 /nfs/dbraw/zinc/92/86/95/1128928695.db2.gz CPSWKXGNTUXALK-GOSISDBHSA-N 0 1 297.398 3.640 20 0 CHADMN Cc1nccc(NCc2ccccc2OC(F)F)c1Cl ZINC000509063447 1120621715 /nfs/dbraw/zinc/62/17/15/1120621715.db2.gz DTPVYCVDUAYEDO-UHFFFAOYSA-N 0 1 298.720 3.679 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CNc1ccc2c(c1)C[N@H+](C)C2 ZINC000893376700 1120627484 /nfs/dbraw/zinc/62/74/84/1120627484.db2.gz OVKANGJQHNKLHH-UHFFFAOYSA-N 0 1 298.434 3.638 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CNc1ccc2c(c1)CN(C)C2 ZINC000893376700 1120627488 /nfs/dbraw/zinc/62/74/88/1120627488.db2.gz OVKANGJQHNKLHH-UHFFFAOYSA-N 0 1 298.434 3.638 20 0 CHADMN CC[N@@H+](Cc1cccs1)Cc1cc2ccccc2[nH]c1=O ZINC000110106472 1120631604 /nfs/dbraw/zinc/63/16/04/1120631604.db2.gz RDKZDLWZMNOWFF-UHFFFAOYSA-N 0 1 298.411 3.612 20 0 CHADMN COc1ccc([C@@H](NCc2nc(C)c(C)[nH]2)C2CCC2)cc1 ZINC000922886781 1120632035 /nfs/dbraw/zinc/63/20/35/1120632035.db2.gz GDINUZPEOVEEPF-SFHVURJKSA-N 0 1 299.418 3.666 20 0 CHADMN CCO[C@@H](C[N@@H+](C)[C@@H](C)c1cc(F)ccc1F)C1CC1 ZINC000625087993 1120632217 /nfs/dbraw/zinc/63/22/17/1120632217.db2.gz HYYUHMPHTJMGNY-ZBEGNZNMSA-N 0 1 283.362 3.773 20 0 CHADMN CC(C)CCCN1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000429057349 1120633234 /nfs/dbraw/zinc/63/32/34/1120633234.db2.gz ZWNVFFWVGBQBQJ-ZFWWWQNUSA-N 0 1 267.438 3.946 20 0 CHADMN C[C@H](NC1(c2c(F)cccc2F)CCC1)[C@@H]1CCCO1 ZINC000624345884 1120634875 /nfs/dbraw/zinc/63/48/75/1120634875.db2.gz ZIISIRMABMRGQQ-FZMZJTMJSA-N 0 1 281.346 3.501 20 0 CHADMN COc1cncc(CN[C@@H](c2ccccc2)C2CCCC2)n1 ZINC000625254042 1120655002 /nfs/dbraw/zinc/65/50/02/1120655002.db2.gz PASFYCZHRQQPSQ-SFHVURJKSA-N 0 1 297.402 3.506 20 0 CHADMN Clc1sccc1CN1CC[C@H](c2ccncc2)C1 ZINC000660575141 1120664200 /nfs/dbraw/zinc/66/42/00/1120664200.db2.gz SUXOBMXBNFUYKE-LBPRGKRZSA-N 0 1 278.808 3.786 20 0 CHADMN C[C@@H](NCc1ccncc1F)c1ccc2c(c1)CCC2 ZINC001168741677 1120667517 /nfs/dbraw/zinc/66/75/17/1120667517.db2.gz NNRHZBZJNUHRKM-GFCCVEGCSA-N 0 1 270.351 3.560 20 0 CHADMN CCC[C@H](C)CCCN[C@@H](C)c1nnc(C)s1 ZINC000625324481 1120670159 /nfs/dbraw/zinc/67/01/59/1120670159.db2.gz QKHHFVCGZUQTFU-QWRGUYRKSA-N 0 1 255.431 3.714 20 0 CHADMN Cc1ccc2sc(CN3CCSCC[C@@H]3C)nc2c1 ZINC000625368911 1120672914 /nfs/dbraw/zinc/67/29/14/1120672914.db2.gz ZVHCEPMZRXWQGW-LBPRGKRZSA-N 0 1 292.473 3.932 20 0 CHADMN CCc1nc(CN(C2CCC2)C2CCC2)cs1 ZINC000429139746 1120676130 /nfs/dbraw/zinc/67/61/30/1120676130.db2.gz HQVSSTLHGVMSKS-UHFFFAOYSA-N 0 1 250.411 3.613 20 0 CHADMN C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CCCF ZINC000660710374 1120679838 /nfs/dbraw/zinc/67/98/38/1120679838.db2.gz RNEHLIBMNOHKMD-VIFPVBQESA-N 0 1 269.751 3.569 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2c3ccccc3CC[C@@H]2C)nn1C ZINC000282451272 1120681332 /nfs/dbraw/zinc/68/13/32/1120681332.db2.gz ZVGWWRMAJSMBMQ-XAYKYTGQSA-N 0 1 283.419 3.703 20 0 CHADMN C[C@H]1CCC(C)(C)N1Cc1ccncc1Br ZINC000625463186 1120686342 /nfs/dbraw/zinc/68/63/42/1120686342.db2.gz DVJYVMCPBULZBF-JTQLQIEISA-N 0 1 283.213 3.607 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2cc3cnccc3o2)n1 ZINC000651641376 1120689663 /nfs/dbraw/zinc/68/96/63/1120689663.db2.gz QATIFYCZODXREY-QGZVFWFLSA-N 0 1 293.370 3.868 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1cc2cnccc2o1 ZINC000651644955 1120691790 /nfs/dbraw/zinc/69/17/90/1120691790.db2.gz CRTFUTMQPSJYBE-CYBMUJFWSA-N 0 1 278.355 3.775 20 0 CHADMN Cc1cccc(CN[C@H]2c3ccccc3O[C@H]2C)c1C ZINC000673950640 1120699757 /nfs/dbraw/zinc/69/97/57/1120699757.db2.gz ZTONPGBUENOBLF-KBXCAEBGSA-N 0 1 267.372 3.915 20 0 CHADMN COc1cccc(CN2CC[C@@]3(CC3(F)F)C2)c1Cl ZINC000660922035 1120701888 /nfs/dbraw/zinc/70/18/88/1120701888.db2.gz GWGUZRZGIAXLOR-CYBMUJFWSA-N 0 1 287.737 3.580 20 0 CHADMN c1oc(-c2ccccc2)nc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000660931110 1120701950 /nfs/dbraw/zinc/70/19/50/1120701950.db2.gz YMUMFRYGSHUYQM-HOCLYGCPSA-N 0 1 268.360 3.716 20 0 CHADMN COCc1cccc(CN2Cc3ccccc3O[C@@H](C)C2)c1 ZINC000429172992 1120702542 /nfs/dbraw/zinc/70/25/42/1120702542.db2.gz SZVOAQKSIYJVAI-HNNXBMFYSA-N 0 1 297.398 3.616 20 0 CHADMN C[C@H]1CCC[C@H](Oc2ccc(F)cc2CN(C)C)C1 ZINC001229855154 1120703758 /nfs/dbraw/zinc/70/37/58/1120703758.db2.gz UGHXDXTYVBLZMO-WFASDCNBSA-N 0 1 265.372 3.845 20 0 CHADMN CCCOc1ccc(CNCc2cc3cnccc3o2)cc1 ZINC000651680502 1120709203 /nfs/dbraw/zinc/70/92/03/1120709203.db2.gz JOOFANHKPPPPBB-UHFFFAOYSA-N 0 1 296.370 3.906 20 0 CHADMN C[C@H](CN1CCO[C@H](c2ccsc2)C1)c1ccccc1 ZINC000125590720 1120711998 /nfs/dbraw/zinc/71/19/98/1120711998.db2.gz UFLVXGJMKAMILJ-PBHICJAKSA-N 0 1 287.428 3.925 20 0 CHADMN CCc1cnc(CN[C@@H]2CCCC23CCCCC3)o1 ZINC000313119721 1120712659 /nfs/dbraw/zinc/71/26/59/1120712659.db2.gz QSVCVDQGOHRUKF-CQSZACIVSA-N 0 1 262.397 3.830 20 0 CHADMN C[C@@H](c1ccc(OC(F)(F)F)cc1)N(C)Cc1cnc[nH]1 ZINC000661087307 1120714654 /nfs/dbraw/zinc/71/46/54/1120714654.db2.gz QKVPZTYIQYWALX-JTQLQIEISA-N 0 1 299.296 3.501 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1ccc2c(c1)CCCO2 ZINC000893421352 1120717415 /nfs/dbraw/zinc/71/74/15/1120717415.db2.gz RUTYQDMFLKTBJA-AWEZNQCLSA-N 0 1 282.387 3.600 20 0 CHADMN CCc1ccc([C@@H](COC)N[C@H](COC)CC(C)(C)C)o1 ZINC000651714597 1120721301 /nfs/dbraw/zinc/72/13/01/1120721301.db2.gz HKUILEUIDQUSKZ-DZGCQCFKSA-N 0 1 297.439 3.570 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](COC)CC(C)(C)C)cs1 ZINC000651717057 1120721826 /nfs/dbraw/zinc/72/18/26/1120721826.db2.gz QVAWQRKAUHJGGS-VXGBXAGGSA-N 0 1 284.469 3.807 20 0 CHADMN CC[C@H](NCc1cccc2c1CCC2)c1nccs1 ZINC000651718275 1120722193 /nfs/dbraw/zinc/72/21/93/1120722193.db2.gz JQXCMWCRRXBFDY-HNNXBMFYSA-N 0 1 272.417 3.873 20 0 CHADMN Cc1nocc1CN(Cc1ccsc1)C(C)(C)C ZINC000661132823 1120722604 /nfs/dbraw/zinc/72/26/04/1120722604.db2.gz BJFOODSTLUKVNT-UHFFFAOYSA-N 0 1 264.394 3.845 20 0 CHADMN Fc1ccccc1CN1CCC(c2ccco2)CC1 ZINC000661163369 1120730216 /nfs/dbraw/zinc/73/02/16/1120730216.db2.gz LSZNMISKGUPLIV-UHFFFAOYSA-N 0 1 259.324 3.798 20 0 CHADMN CC[N@@H+](CC(c1ccccc1)c1ccccc1)C1COC1 ZINC001207526955 1120734091 /nfs/dbraw/zinc/73/40/91/1120734091.db2.gz SIYJHDFKCFRQFX-UHFFFAOYSA-N 0 1 281.399 3.539 20 0 CHADMN CCN(CC(c1ccccc1)c1ccccc1)C1COC1 ZINC001207526955 1120734094 /nfs/dbraw/zinc/73/40/94/1120734094.db2.gz SIYJHDFKCFRQFX-UHFFFAOYSA-N 0 1 281.399 3.539 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H](C)[C@H](F)C2)c2ccccn21 ZINC000651755165 1120735162 /nfs/dbraw/zinc/73/51/62/1120735162.db2.gz CEGYOFPVAGLSIE-ZIAGYGMSSA-N 0 1 289.398 3.638 20 0 CHADMN COCC[C@H](NCc1cccc2c1CCC2)c1ccco1 ZINC000651757821 1120736572 /nfs/dbraw/zinc/73/65/72/1120736572.db2.gz DVVCUMTYUSJWFS-KRWDZBQOSA-N 0 1 285.387 3.636 20 0 CHADMN Cc1ccc(-c2noc(CN(CC(C)C)C3CC3)n2)cc1 ZINC000044898345 1120737400 /nfs/dbraw/zinc/73/74/00/1120737400.db2.gz OXCDQSWOCNBKCC-UHFFFAOYSA-N 0 1 285.391 3.665 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1nc(CCC(C)C)no1 ZINC000661234623 1120743097 /nfs/dbraw/zinc/74/30/97/1120743097.db2.gz OGBCDLRCXNOEAV-GFCCVEGCSA-N 0 1 267.417 3.573 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1nnc(-c2ccccc2)o1 ZINC000661234524 1120743146 /nfs/dbraw/zinc/74/31/46/1120743146.db2.gz NODVPNKMWGCJMB-LBPRGKRZSA-N 0 1 273.380 3.651 20 0 CHADMN Cc1occc1CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC001207527720 1120744268 /nfs/dbraw/zinc/74/42/68/1120744268.db2.gz UBEJMLAAEOUHLH-CYBMUJFWSA-N 0 1 277.314 3.856 20 0 CHADMN CCc1cccc(CN2CC(CC(F)(F)F)C2)c1 ZINC000651828335 1120756697 /nfs/dbraw/zinc/75/66/97/1120756697.db2.gz CTBFCZRQKJGPBN-UHFFFAOYSA-N 0 1 257.299 3.633 20 0 CHADMN Cc1cc(CN2CC3(CCC3)OC[C@H]2C)c2ccccc2n1 ZINC000661469084 1120768969 /nfs/dbraw/zinc/76/89/69/1120768969.db2.gz ZSKDVCDNHQFWGE-OAHLLOKOSA-N 0 1 296.414 3.687 20 0 CHADMN C[C@H](O)[C@H](NCc1cccc2c1CCC2)c1ccccc1F ZINC000651891994 1120771024 /nfs/dbraw/zinc/77/10/24/1120771024.db2.gz YHYXKIRFJNECOG-DJJJIMSYSA-N 0 1 299.389 3.526 20 0 CHADMN CCc1nnc(CN(C)C2CC(C)(C)CC(C)(C)C2)o1 ZINC000661530662 1120775575 /nfs/dbraw/zinc/77/55/75/1120775575.db2.gz BWWPTBJGLRFDCI-UHFFFAOYSA-N 0 1 279.428 3.669 20 0 CHADMN CC(C)(C)C[C@@H]1C[C@H]1NCc1ncc(Cl)s1 ZINC000651911702 1120776264 /nfs/dbraw/zinc/77/62/64/1120776264.db2.gz SSXUBASLOXGFTM-DTWKUNHWSA-N 0 1 258.818 3.711 20 0 CHADMN Cc1nnc([C@H](C)[N@H+]2CC[C@H](C3CCCCC3)C2)s1 ZINC000661577935 1120781520 /nfs/dbraw/zinc/78/15/20/1120781520.db2.gz GYRGZDGBHFXOEE-FZMZJTMJSA-N 0 1 279.453 3.810 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@H](C3CCCCC3)C2)s1 ZINC000661577935 1120781523 /nfs/dbraw/zinc/78/15/23/1120781523.db2.gz GYRGZDGBHFXOEE-FZMZJTMJSA-N 0 1 279.453 3.810 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)N1CCC[C@](O)(C2CC2)C1 ZINC000661632195 1120787303 /nfs/dbraw/zinc/78/73/03/1120787303.db2.gz KZPLYLWDYFUUHD-MEDUHNTESA-N 0 1 297.801 3.777 20 0 CHADMN Cc1cccc(CCN(C)Cc2cnc(Cl)s2)c1 ZINC001207532733 1120790038 /nfs/dbraw/zinc/79/00/38/1120790038.db2.gz CHNJPEXICKKDMN-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN CCC1(CC)CCCN(Cc2nc(C)c(C)o2)C1 ZINC000661675710 1120793290 /nfs/dbraw/zinc/79/32/90/1120793290.db2.gz YAHZOGGAIFNPJS-UHFFFAOYSA-N 0 1 250.386 3.694 20 0 CHADMN FCC[C@H]1CCCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000661694012 1120794941 /nfs/dbraw/zinc/79/49/41/1120794941.db2.gz VGHFIAMNBKXXFF-LLVKDONJSA-N 0 1 280.318 3.539 20 0 CHADMN COc1ccc([C@H](N[C@H]2CC2(C)C)c2ccccn2)cc1 ZINC000652174703 1120795464 /nfs/dbraw/zinc/79/54/64/1120795464.db2.gz BNQDTDLEYKSADY-IRXDYDNUSA-N 0 1 282.387 3.568 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1C[C@@H]2COC[C@]2(C)C1 ZINC000661698638 1120797077 /nfs/dbraw/zinc/79/70/77/1120797077.db2.gz GOUSVGGFOVWJIJ-HCKVZZMMSA-N 0 1 283.774 3.508 20 0 CHADMN Cc1ccc2[nH]c(CN(C)Cc3cccn3C)cc2c1C ZINC000473137997 1120799043 /nfs/dbraw/zinc/79/90/43/1120799043.db2.gz HKLNGIJRVMLWMK-UHFFFAOYSA-N 0 1 281.403 3.755 20 0 CHADMN Cc1ccc(CNCc2cccnc2OC(C)C)cc1C ZINC000048068418 1120800828 /nfs/dbraw/zinc/80/08/28/1120800828.db2.gz BPLRMHILNDNVGQ-UHFFFAOYSA-N 0 1 284.403 3.775 20 0 CHADMN COc1cc(C)ccc1CN[C@H](C)c1ccc2c(c1)CCO2 ZINC000178446746 1120807024 /nfs/dbraw/zinc/80/70/24/1120807024.db2.gz LDVCKPQTWVSDRN-CQSZACIVSA-N 0 1 297.398 3.789 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(O)cc(F)c1 ZINC000473144415 1120812043 /nfs/dbraw/zinc/81/20/43/1120812043.db2.gz OFXWUJHOMVNRNW-UGSOOPFHSA-N 0 1 285.362 3.909 20 0 CHADMN COc1ccc(-c2nc(CN[C@@H]3CC3(C)C)cs2)cc1 ZINC000618467983 1120812323 /nfs/dbraw/zinc/81/23/23/1120812323.db2.gz KMISADHTNUUPGZ-CQSZACIVSA-N 0 1 288.416 3.707 20 0 CHADMN Oc1cc(F)cc(CN2CCSC3(CCCCC3)C2)c1 ZINC000473146503 1120814476 /nfs/dbraw/zinc/81/44/76/1120814476.db2.gz UGKCYIIPIPMYFZ-UHFFFAOYSA-N 0 1 295.423 3.783 20 0 CHADMN Cc1cncc(CN(Cc2ccccc2F)CC2CC2)c1 ZINC000661793720 1120816320 /nfs/dbraw/zinc/81/63/20/1120816320.db2.gz RBDPLUORXUUFTH-UHFFFAOYSA-N 0 1 284.378 3.941 20 0 CHADMN C[C@H](N[C@H](CO)c1ccccc1)c1cc2ccccc2o1 ZINC000062999608 1120819850 /nfs/dbraw/zinc/81/98/50/1120819850.db2.gz DXDYAHJRHGBBSE-XJKSGUPXSA-N 0 1 281.355 3.817 20 0 CHADMN CCCC1=NN(c2cc(C(F)(F)F)ccn2)C(=O)[C@H]1CC ZINC000634608808 1128943894 /nfs/dbraw/zinc/94/38/94/1128943894.db2.gz NBUKUEIJRFHYNR-JTQLQIEISA-N 0 1 299.296 3.629 20 0 CHADMN Cc1occc1CNCc1ccc(OC(F)(F)F)cc1 ZINC000067217869 1120840054 /nfs/dbraw/zinc/84/00/54/1120840054.db2.gz AGGPWHVBBNVEFJ-UHFFFAOYSA-N 0 1 285.265 3.776 20 0 CHADMN COc1cncc(CN2CCC[C@H]2c2ccc(C)s2)c1 ZINC000343884905 1120846093 /nfs/dbraw/zinc/84/60/93/1120846093.db2.gz VWRCIRZACWYBIE-HNNXBMFYSA-N 0 1 288.416 3.797 20 0 CHADMN CC(C)OCCNCc1ccc(F)c(Cl)c1Cl ZINC000432256950 1120849842 /nfs/dbraw/zinc/84/98/42/1120849842.db2.gz IEJVVEMMKHXWNB-UHFFFAOYSA-N 0 1 280.170 3.647 20 0 CHADMN O=C([O-])[C@@H](CC[N@@H+](C1CC1)C1CCCC1)c1ccccc1 ZINC000652388340 1120851029 /nfs/dbraw/zinc/85/10/29/1120851029.db2.gz SEGUIJGTCKMZKI-KRWDZBQOSA-N 0 1 287.403 3.652 20 0 CHADMN COCc1nc(CN2CCC[C@H](C(C)C)CC2)cs1 ZINC000075744925 1120851839 /nfs/dbraw/zinc/85/18/39/1120851839.db2.gz YGJMVZJFAZMELA-ZDUSSCGKSA-N 0 1 282.453 3.548 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccncc2)c2c(n1)CCCC2 ZINC000893540131 1120852181 /nfs/dbraw/zinc/85/21/81/1120852181.db2.gz PJOJQGDNEASRMA-HNNXBMFYSA-N 0 1 295.430 3.857 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000652404443 1120855483 /nfs/dbraw/zinc/85/54/83/1120855483.db2.gz ULNZIUCRNUBKLU-GOSISDBHSA-N 0 1 295.382 3.792 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc(C(C)(C)C)no1)C1CCC(F)CC1 ZINC000662000983 1120855767 /nfs/dbraw/zinc/85/57/67/1120855767.db2.gz QSEYUQMGUWZAIK-IALDZJHCSA-N 0 1 297.418 3.935 20 0 CHADMN Cc1nc(N2CCCCCC2)cc(N2CCCCCC2)n1 ZINC000244322256 1120858912 /nfs/dbraw/zinc/85/89/12/1120858912.db2.gz XJCIMEINALXQEY-UHFFFAOYSA-N 0 1 288.439 3.546 20 0 CHADMN CC[C@@H]1Cc2ccccc2C[N@H+]1CCC(F)(F)F ZINC000466941200 1120861219 /nfs/dbraw/zinc/86/12/19/1120861219.db2.gz UPNJEKXSCHRWLC-CYBMUJFWSA-N 0 1 257.299 3.776 20 0 CHADMN CCc1nc(CN2CCC[C@@H](C3CCC3)C2)cs1 ZINC000662040726 1120863670 /nfs/dbraw/zinc/86/36/70/1120863670.db2.gz WHAFNTBJKYIFSX-CYBMUJFWSA-N 0 1 264.438 3.718 20 0 CHADMN CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000652450953 1120865866 /nfs/dbraw/zinc/86/58/66/1120865866.db2.gz MDVWEIZBMMDLGJ-SWLSCSKDSA-N 0 1 291.391 3.626 20 0 CHADMN O=C([O-])C[N@@H+](Cc1cccc(Cl)c1F)C1CCCCC1 ZINC000652482606 1120871486 /nfs/dbraw/zinc/87/14/86/1120871486.db2.gz LACZVCQSVLASOA-UHFFFAOYSA-N 0 1 299.773 3.698 20 0 CHADMN C[C@H](C[N@@H+](CC(=O)[O-])C1CCCCC1)c1ccccc1 ZINC000652482865 1120871707 /nfs/dbraw/zinc/87/17/07/1120871707.db2.gz YPZXSEFDPULIPU-CQSZACIVSA-N 0 1 275.392 3.509 20 0 CHADMN Cc1ccccc1[C@H](C)[N@H+]1CCOc2ccc(O)cc2C1 ZINC000662100812 1120875559 /nfs/dbraw/zinc/87/55/59/1120875559.db2.gz JUPYXEDTNOZKET-AWEZNQCLSA-N 0 1 283.371 3.656 20 0 CHADMN Cc1ccccc1[C@H](C)N1CCOc2ccc(O)cc2C1 ZINC000662100812 1120875564 /nfs/dbraw/zinc/87/55/64/1120875564.db2.gz JUPYXEDTNOZKET-AWEZNQCLSA-N 0 1 283.371 3.656 20 0 CHADMN C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000248487445 1120878632 /nfs/dbraw/zinc/87/86/32/1120878632.db2.gz GCHSUZTZVOOXII-LSCVPOLPSA-N 0 1 283.799 3.652 20 0 CHADMN CC[C@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2)CC1 ZINC000249201956 1120880013 /nfs/dbraw/zinc/88/00/13/1120880013.db2.gz UBWYSCYJEXBEBB-DZKIICNBSA-N 0 1 298.386 3.550 20 0 CHADMN CCCCc1noc(CN2[C@H](CC)CCC[C@@H]2C)n1 ZINC000662155644 1120886535 /nfs/dbraw/zinc/88/65/35/1120886535.db2.gz GXFAPBKQBNOIGD-QWHCGFSZSA-N 0 1 265.401 3.565 20 0 CHADMN O=C(c1cc(C2CCCCC2)[nH]n1)N1CCC12CCCC2 ZINC000652572224 1120887636 /nfs/dbraw/zinc/88/76/36/1120887636.db2.gz AXZRYIRNWMPNKT-UHFFFAOYSA-N 0 1 287.407 3.616 20 0 CHADMN Fc1ccc(-c2cccc([C@@H]3COCCN3)c2)c(Cl)c1 ZINC000630060797 1128947229 /nfs/dbraw/zinc/94/72/29/1128947229.db2.gz QTPFLPZPMLJBDG-INIZCTEOSA-N 0 1 291.753 3.807 20 0 CHADMN CC(C)n1ncnc1CN1CCC[C@@H](C2CCCCC2)C1 ZINC000662200266 1120897312 /nfs/dbraw/zinc/89/73/12/1120897312.db2.gz DWWUWUDJBBRNEL-MRXNPFEDSA-N 0 1 290.455 3.651 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)Cc2noc3c2CCCC3)C1 ZINC000171732263 1120901183 /nfs/dbraw/zinc/90/11/83/1120901183.db2.gz YPEKZVVBXMYESF-QWHCGFSZSA-N 0 1 262.397 3.564 20 0 CHADMN COc1ccc(CNc2ccc3c[nH]nc3c2)c(Cl)c1 ZINC000630067018 1128947837 /nfs/dbraw/zinc/94/78/37/1128947837.db2.gz KIWFMWJAFKYDHS-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN CC[N@@H+](Cc1c(C)cc(C(C)(C)C)cc1C)[C@@H](C)C(=O)[O-] ZINC000662215771 1120904128 /nfs/dbraw/zinc/90/41/28/1120904128.db2.gz IEPXUXJNOAHHNJ-AWEZNQCLSA-N 0 1 291.435 3.896 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)NCc1cscn1 ZINC000040504274 1120907154 /nfs/dbraw/zinc/90/71/54/1120907154.db2.gz ZAWLBVKDIPZCBA-SNVBAGLBSA-N 0 1 266.797 3.517 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1)NCc1cscn1 ZINC000040504272 1120907463 /nfs/dbraw/zinc/90/74/63/1120907463.db2.gz ZAWLBVKDIPZCBA-JTQLQIEISA-N 0 1 266.797 3.517 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N(C)CC1=CCSC1 ZINC000662270895 1120915986 /nfs/dbraw/zinc/91/59/86/1120915986.db2.gz QXXGHNCZQZRQJB-SNVBAGLBSA-N 0 1 269.360 3.631 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000062015171 1120919971 /nfs/dbraw/zinc/91/99/71/1120919971.db2.gz SSUUIJZVOOSTFR-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000062015171 1120919977 /nfs/dbraw/zinc/91/99/77/1120919977.db2.gz SSUUIJZVOOSTFR-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000062015172 1120920026 /nfs/dbraw/zinc/92/00/26/1120920026.db2.gz SSUUIJZVOOSTFR-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000062015172 1120920030 /nfs/dbraw/zinc/92/00/30/1120920030.db2.gz SSUUIJZVOOSTFR-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN C[C@H](NCCOCCF)c1ccc(Cl)cc1Cl ZINC000663310729 1120921065 /nfs/dbraw/zinc/92/10/65/1120921065.db2.gz NRKYRYIFPUBOTR-VIFPVBQESA-N 0 1 280.170 3.630 20 0 CHADMN CCOc1ncccc1CNCc1cccc(C(C)C)c1 ZINC000663315629 1120922616 /nfs/dbraw/zinc/92/26/16/1120922616.db2.gz YOQXLSYBBLEPNY-UHFFFAOYSA-N 0 1 284.403 3.894 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CC3CC2(c2ccccc2)C3)cs1 ZINC000663316573 1120923098 /nfs/dbraw/zinc/92/30/98/1120923098.db2.gz FYOMDNBCJZFNKZ-UHFFFAOYSA-N 0 1 299.395 3.567 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN(CCOCC(F)F)C2CC2)o1 ZINC000188565822 1120923235 /nfs/dbraw/zinc/92/32/35/1120923235.db2.gz FJAVUEJQPNTVIC-RISCZKNCSA-N 0 1 299.361 3.649 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000663316494 1120923989 /nfs/dbraw/zinc/92/39/89/1120923989.db2.gz FDMJHXLQIFHDHL-UHFFFAOYSA-N 0 1 299.395 3.567 20 0 CHADMN CC(C)c1nc([C@H](C)NCc2cccc(C(C)C)c2)n[nH]1 ZINC000663321257 1120924012 /nfs/dbraw/zinc/92/40/12/1120924012.db2.gz XMESXOXGUPGCCF-ZDUSSCGKSA-N 0 1 286.423 3.902 20 0 CHADMN CC(C)(C)c1ccc(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000062875763 1120925108 /nfs/dbraw/zinc/92/51/08/1120925108.db2.gz PITDFTQSLMRTKM-GOSISDBHSA-N 0 1 289.419 3.671 20 0 CHADMN Cc1noc(C)c1CN[C@]1(c2ccccc2)CC1(C)C ZINC000662341176 1120927936 /nfs/dbraw/zinc/92/79/36/1120927936.db2.gz QMZUCJFVRPSKGE-KRWDZBQOSA-N 0 1 270.376 3.706 20 0 CHADMN Cc1cccc(CN[C@]2(c3ccccc3)CC2(C)C)n1 ZINC000662340079 1120928037 /nfs/dbraw/zinc/92/80/37/1120928037.db2.gz HQRJLSRQKCFXPP-SFHVURJKSA-N 0 1 266.388 3.805 20 0 CHADMN COc1ccc(CN[C@]2(c3ccccc3)CC2(C)C)nc1 ZINC000662341150 1120928294 /nfs/dbraw/zinc/92/82/94/1120928294.db2.gz QGMZYGQLOAUBRF-SFHVURJKSA-N 0 1 282.387 3.505 20 0 CHADMN Cc1cccc(CN[C@@]2(c3ccccc3)CC2(C)C)n1 ZINC000662340078 1120928614 /nfs/dbraw/zinc/92/86/14/1120928614.db2.gz HQRJLSRQKCFXPP-GOSISDBHSA-N 0 1 266.388 3.805 20 0 CHADMN CC(C)Cc1ncc(CN[C@@H](C)c2cccnc2)s1 ZINC000161959921 1120933221 /nfs/dbraw/zinc/93/32/21/1120933221.db2.gz XZDFCDWISNFFOF-LBPRGKRZSA-N 0 1 275.421 3.587 20 0 CHADMN C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccnn2C2CCC2)C1 ZINC000893570525 1120933771 /nfs/dbraw/zinc/93/37/71/1120933771.db2.gz FNVIGJNEBNZFLI-RDTXWAMCSA-N 0 1 296.418 3.586 20 0 CHADMN CCOc1ccc(CN2C[C@@H](C)C[C@H]2c2cccnc2)o1 ZINC000893570813 1120934370 /nfs/dbraw/zinc/93/43/70/1120934370.db2.gz JBJRRFUIJDUSNV-BBRMVZONSA-N 0 1 286.375 3.656 20 0 CHADMN Clc1ccc(CN[C@H]2COCc3ccccc32)cc1 ZINC000225981841 1120936537 /nfs/dbraw/zinc/93/65/37/1120936537.db2.gz RRAGPONTZCONHK-INIZCTEOSA-N 0 1 273.763 3.701 20 0 CHADMN C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cccc3c2OCC3)C1 ZINC000893572782 1120936594 /nfs/dbraw/zinc/93/65/94/1120936594.db2.gz TYSFTGPRTNHFTG-KDOFPFPSSA-N 0 1 294.398 3.600 20 0 CHADMN COc1ccc(CN[C@@]2(c3ccccc3)CC2(C)C)cc1O ZINC000663337923 1120937418 /nfs/dbraw/zinc/93/74/18/1120937418.db2.gz KSDVSTWKYJEZNM-LJQANCHMSA-N 0 1 297.398 3.816 20 0 CHADMN CCn1nccc1CNCc1ccc(C(F)(F)F)c(C)c1 ZINC000663349078 1120943176 /nfs/dbraw/zinc/94/31/76/1120943176.db2.gz DFSVARCBARGLKT-UHFFFAOYSA-N 0 1 297.324 3.520 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000064557991 1120944077 /nfs/dbraw/zinc/94/40/77/1120944077.db2.gz PEGZSQCLELJKRS-CQSZACIVSA-N 0 1 295.430 3.591 20 0 CHADMN CC(C)c1cccc(NC(=O)CN2CCCC[C@H]2C)c1 ZINC000302918118 1120948057 /nfs/dbraw/zinc/94/80/57/1120948057.db2.gz TYTFYSLGQZFSCJ-CQSZACIVSA-N 0 1 274.408 3.623 20 0 CHADMN CCc1nocc1CN1CCC[C@H]1c1ccc(OC)cc1 ZINC000350115495 1120950276 /nfs/dbraw/zinc/95/02/76/1120950276.db2.gz AXNWAUUFAFUEHP-KRWDZBQOSA-N 0 1 286.375 3.583 20 0 CHADMN CC1(C)CCCN1Cc1ccc(Br)s1 ZINC000063063721 1120964148 /nfs/dbraw/zinc/96/41/48/1120964148.db2.gz UXXVXEXRGAKHHA-UHFFFAOYSA-N 0 1 274.227 3.885 20 0 CHADMN COc1ccc(Br)cc1C[N@H+]1CCCC1(C)C ZINC000063063669 1120964239 /nfs/dbraw/zinc/96/42/39/1120964239.db2.gz XVOLPBJXCRBYIB-UHFFFAOYSA-N 0 1 298.224 3.832 20 0 CHADMN COc1ccc(Br)cc1CN1CCCC1(C)C ZINC000063063669 1120964241 /nfs/dbraw/zinc/96/42/41/1120964241.db2.gz XVOLPBJXCRBYIB-UHFFFAOYSA-N 0 1 298.224 3.832 20 0 CHADMN C[C@@H](N[C@@H]1COC2(CCC2)C1)c1nc2ccccc2s1 ZINC000688296439 1128952790 /nfs/dbraw/zinc/95/27/90/1128952790.db2.gz MUOKNUWBQJKLGF-NEPJUHHUSA-N 0 1 288.416 3.659 20 0 CHADMN Cc1oc(-c2cccs2)nc1CNCCc1ccoc1 ZINC001203144010 1120970613 /nfs/dbraw/zinc/97/06/13/1120970613.db2.gz FZCLUKYEGFXHHE-UHFFFAOYSA-N 0 1 288.372 3.637 20 0 CHADMN CCn1nccc1CN[C@H](C)c1sc(C(C)C)nc1C ZINC000663467460 1120982078 /nfs/dbraw/zinc/98/20/78/1120982078.db2.gz JDKSDUPNJKOFJK-LLVKDONJSA-N 0 1 292.452 3.642 20 0 CHADMN CCOC[C@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000093419060 1128954194 /nfs/dbraw/zinc/95/41/94/1128954194.db2.gz GIAAHXCOWBVYEY-ZDUSSCGKSA-N 0 1 285.790 3.728 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000613919106 1120992401 /nfs/dbraw/zinc/99/24/01/1120992401.db2.gz XNYHLLRYVOFSMH-GFCCVEGCSA-N 0 1 283.375 3.780 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](c2ccccc2)[C@@H](C)O)oc1C ZINC000658359016 1120993982 /nfs/dbraw/zinc/99/39/82/1120993982.db2.gz CVKDWUVFLSHGOL-OGHNNQOOSA-N 0 1 273.376 3.669 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@@H](c1ccccc1)[C@@H](C)O ZINC000658359129 1120996468 /nfs/dbraw/zinc/99/64/68/1120996468.db2.gz AHAWHIZSHTYIAC-QMTMVMCOSA-N 0 1 299.414 3.776 20 0 CHADMN COc1cncc(CN(C)[C@H](C)c2ccc(Cl)cc2)c1 ZINC000343958538 1120999245 /nfs/dbraw/zinc/99/92/45/1120999245.db2.gz JLUYFIGFSNYRKE-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN CN(Cc1nc2ccccc2n1C(F)F)CC1CCC1 ZINC000111696616 1121015559 /nfs/dbraw/zinc/01/55/59/1121015559.db2.gz PDWWWMKDCDPKKJ-UHFFFAOYSA-N 0 1 279.334 3.663 20 0 CHADMN COc1ccc([C@H](C)NCc2ccnc(Cl)c2)cc1F ZINC000182008014 1121019209 /nfs/dbraw/zinc/01/92/09/1121019209.db2.gz RKXKYHABNHADDV-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN C1CN[C@H](c2noc([C@@H]3CC[C@@H]4CCCC[C@H]4C3)n2)C1 ZINC000168290354 1121023108 /nfs/dbraw/zinc/02/31/08/1121023108.db2.gz BXNPTPZXZXFQSD-FQUUOJAGSA-N 0 1 275.396 3.568 20 0 CHADMN Fc1cc(C[N@H+]2CCC[C@H]2C2CC2)ccc1Br ZINC000674005831 1121032892 /nfs/dbraw/zinc/03/28/92/1121032892.db2.gz NTWVAFWZOAPGHF-AWEZNQCLSA-N 0 1 298.199 3.963 20 0 CHADMN Fc1cc(CN2CCC[C@H]2C2CC2)ccc1Br ZINC000674005831 1121032899 /nfs/dbraw/zinc/03/28/99/1121032899.db2.gz NTWVAFWZOAPGHF-AWEZNQCLSA-N 0 1 298.199 3.963 20 0 CHADMN Cc1ccc(F)c(CN(C)[C@H](CCO)c2ccccc2)c1 ZINC000093442328 1128958040 /nfs/dbraw/zinc/95/80/40/1128958040.db2.gz DYHZLTJXZLRWBV-GOSISDBHSA-N 0 1 287.378 3.690 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1cn[nH]c1 ZINC000222462589 1121044378 /nfs/dbraw/zinc/04/43/78/1121044378.db2.gz DKXASGSUYHAKNO-DTWKUNHWSA-N 0 1 267.735 3.614 20 0 CHADMN C[C@H](N[C@H]1CS[C@H](C)C1)c1c(F)cccc1F ZINC000094472724 1121047252 /nfs/dbraw/zinc/04/72/52/1121047252.db2.gz OLCVUHJADOEQQY-KXUCPTDWSA-N 0 1 257.349 3.509 20 0 CHADMN Cc1[nH+]ccn1-c1ccc(Nc2ccc(C(=O)[O-])s2)cc1 ZINC001174810500 1121056341 /nfs/dbraw/zinc/05/63/41/1121056341.db2.gz PKACUPPPHMKRQB-UHFFFAOYSA-N 0 1 299.355 3.684 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN1C[C@H](C)CC(C)(C)C1 ZINC000344031096 1121058951 /nfs/dbraw/zinc/05/89/51/1121058951.db2.gz PDXWOONWZSHAGS-CYBMUJFWSA-N 0 1 288.435 3.610 20 0 CHADMN CC(C)(C)c1nc(Nc2cccc3cccnc32)no1 ZINC001174857147 1121067623 /nfs/dbraw/zinc/06/76/23/1121067623.db2.gz WMJYTPDJWJOVDE-UHFFFAOYSA-N 0 1 268.320 3.659 20 0 CHADMN C[C@@H](c1cccnc1)N1Cc2ccccc2OC(C)(C)C1 ZINC000344073490 1121073787 /nfs/dbraw/zinc/07/37/87/1121073787.db2.gz PMMXAPWMORTQHR-AWEZNQCLSA-N 0 1 282.387 3.816 20 0 CHADMN CN(CC(=O)c1c[nH]c2ccccc12)C[C@@H]1CC=CCC1 ZINC000344078930 1121075379 /nfs/dbraw/zinc/07/53/79/1121075379.db2.gz XXYHFSFCXFIEOT-CQSZACIVSA-N 0 1 282.387 3.639 20 0 CHADMN Cc1cccnc1CN1Cc2ccccc2OC(C)(C)C1 ZINC000344102596 1121081969 /nfs/dbraw/zinc/08/19/69/1121081969.db2.gz GBGVTTZBGZWFNK-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN C[C@@H](NCc1ccco1)c1ccc(Br)s1 ZINC000038001568 1121092293 /nfs/dbraw/zinc/09/22/93/1121092293.db2.gz YXDMPHZRVMNCLR-MRVPVSSYSA-N 0 1 286.194 3.954 20 0 CHADMN Cc1cccc(CN2Cc3ccccc3OC(C)(C)C2)n1 ZINC000344127676 1121097464 /nfs/dbraw/zinc/09/74/64/1121097464.db2.gz YZTQNMJNYLGNBQ-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN Oc1ccc(F)c(CN[C@@H]2C[C@@H]2C2CCCCC2)c1F ZINC000512116228 1121097515 /nfs/dbraw/zinc/09/75/15/1121097515.db2.gz NFULQJGNMBXLMI-BXUZGUMPSA-N 0 1 281.346 3.729 20 0 CHADMN Cc1cc(C(=O)Nc2ccc3nc[nH]c3c2)cc(C)c1F ZINC000344135034 1121099773 /nfs/dbraw/zinc/09/97/73/1121099773.db2.gz XRDAPUJGNUZICS-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN CN(Cc1nccs1)C1CCC(C(F)(F)F)CC1 ZINC000344138331 1121101579 /nfs/dbraw/zinc/10/15/79/1121101579.db2.gz XOJXSBMLBMVREA-UHFFFAOYSA-N 0 1 278.343 3.696 20 0 CHADMN COCC(C)(C)NCc1coc(-c2cccc(Cl)c2)n1 ZINC000171204245 1121101809 /nfs/dbraw/zinc/10/18/09/1121101809.db2.gz CSWPVVLXGRCLBC-UHFFFAOYSA-N 0 1 294.782 3.510 20 0 CHADMN CC[C@H]1CCCCN1CC(=O)Nc1ccc(C)cc1C ZINC000048418893 1121106023 /nfs/dbraw/zinc/10/60/23/1121106023.db2.gz GXBPIKLDVXVQCF-HNNXBMFYSA-N 0 1 274.408 3.506 20 0 CHADMN Fc1ccccc1-c1n[nH]c(S[C@H]2C=CCCC2)n1 ZINC000171269324 1121107557 /nfs/dbraw/zinc/10/75/57/1121107557.db2.gz IKYDSXFHTUMTCQ-JTQLQIEISA-N 0 1 275.352 3.812 20 0 CHADMN CC(C)c1ccc([C@@H](NC(=O)[C@H](C)N(C)C)C(C)C)cc1 ZINC000674266632 1121111682 /nfs/dbraw/zinc/11/16/82/1121111682.db2.gz URTHMHQRELGOCA-YOEHRIQHSA-N 0 1 290.451 3.573 20 0 CHADMN C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@H](C)C1 ZINC000261381458 1121119225 /nfs/dbraw/zinc/11/92/25/1121119225.db2.gz DXOJADLRPRVPKH-KBPBESRZSA-N 0 1 288.435 3.653 20 0 CHADMN OC[C@@H](NCc1ccccc1C1CC1)c1ccc(F)cc1 ZINC000674334438 1121120439 /nfs/dbraw/zinc/12/04/39/1121120439.db2.gz KDPOUUOWHNSDRW-GOSISDBHSA-N 0 1 285.362 3.526 20 0 CHADMN CC[C@@]1(C)CCN([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000344214999 1121121994 /nfs/dbraw/zinc/12/19/94/1121121994.db2.gz HOGZSHIPPWIZLQ-ABAIWWIYSA-N 0 1 291.420 3.981 20 0 CHADMN c1ccc(-c2nnc(CN(C3CC3)C3CCCC3)o2)cc1 ZINC000171617695 1121124011 /nfs/dbraw/zinc/12/40/11/1121124011.db2.gz NMXDXDFUGRGFCX-UHFFFAOYSA-N 0 1 283.375 3.644 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1CCCCC[C@@H]1C ZINC000512156026 1121127869 /nfs/dbraw/zinc/12/78/69/1121127869.db2.gz WZTYCBPHGAFOMJ-LBPRGKRZSA-N 0 1 294.826 3.851 20 0 CHADMN Fc1ccccc1C1(N[C@@H]2CCCn3nccc32)CCC1 ZINC000658042115 1121128120 /nfs/dbraw/zinc/12/81/20/1121128120.db2.gz RLMGUPKRRXMNEK-OAHLLOKOSA-N 0 1 285.366 3.526 20 0 CHADMN Cc1nc([C@@H](C)NCCSC(C)C)c(C)s1 ZINC000309353416 1121130592 /nfs/dbraw/zinc/13/05/92/1121130592.db2.gz MWDGZOZJEBFBFQ-SECBINFHSA-N 0 1 258.456 3.552 20 0 CHADMN C[C@@H]1CCCCCN1CC(=O)Nc1cccc(Cl)c1 ZINC000512164272 1121132782 /nfs/dbraw/zinc/13/27/82/1121132782.db2.gz LPVGFSSRHMIWLF-GFCCVEGCSA-N 0 1 280.799 3.543 20 0 CHADMN CC[C@@H](C)CN(C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000171949546 1121135555 /nfs/dbraw/zinc/13/55/55/1121135555.db2.gz IUKNLNKIHHNENF-LLVKDONJSA-N 0 1 293.798 3.868 20 0 CHADMN CC[C@H](C)CN(C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000171949348 1121135893 /nfs/dbraw/zinc/13/58/93/1121135893.db2.gz AEGRYMSEHSTRNC-LBPRGKRZSA-N 0 1 276.355 3.959 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1ccc(Cl)o1 ZINC000172109038 1121139975 /nfs/dbraw/zinc/13/99/75/1121139975.db2.gz XUTXXYJLDCBCAM-UHFFFAOYSA-N 0 1 272.087 3.544 20 0 CHADMN C[C@H](NCc1cc(C#N)ccc1F)c1ccc(N(C)C)cc1 ZINC000090117604 1121141746 /nfs/dbraw/zinc/14/17/46/1121141746.db2.gz KAQWMLDZKIXDJI-ZDUSSCGKSA-N 0 1 297.377 3.614 20 0 CHADMN C[C@H](NCc1cc(C#N)ccc1F)c1ccccc1N(C)C ZINC000090117314 1121143190 /nfs/dbraw/zinc/14/31/90/1121143190.db2.gz PNVZHQHWYJUULR-ZDUSSCGKSA-N 0 1 297.377 3.614 20 0 CHADMN CC(C)(C)c1ccc(COC2CCN(CCF)CC2)cc1 ZINC001204672714 1121145002 /nfs/dbraw/zinc/14/50/02/1121145002.db2.gz JLYKGLXRQOFSGW-UHFFFAOYSA-N 0 1 293.426 3.935 20 0 CHADMN CCOc1ccc(Nc2ccnn2-c2ccncc2)cc1F ZINC001175067314 1121147631 /nfs/dbraw/zinc/14/76/31/1121147631.db2.gz NHXANRMUPKPDEN-UHFFFAOYSA-N 0 1 298.321 3.549 20 0 CHADMN Cc1ncn(-c2ccc(OCc3ccccc3)c(C)c2)c1N ZINC001175030807 1121150464 /nfs/dbraw/zinc/15/04/64/1121150464.db2.gz PFBJGWPNVYSOPQ-UHFFFAOYSA-N 0 1 293.370 3.650 20 0 CHADMN C[C@H](c1ccccn1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931919296 1121156778 /nfs/dbraw/zinc/15/67/78/1121156778.db2.gz RPODQOFXWPRKMI-ZYHUDNBSSA-N 0 1 288.288 3.509 20 0 CHADMN O=C([O-])[C@]12CCC[C@@H]1C[N@@H+](CCC1CCCCCC1)C2 ZINC000701545095 1121157364 /nfs/dbraw/zinc/15/73/64/1121157364.db2.gz BDWRKIUWANPBGR-WBVHZDCISA-N 0 1 279.424 3.534 20 0 CHADMN C[C@@H](NC1(c2ccccc2)CC1)c1cccc2c1OCO2 ZINC000925826298 1121158467 /nfs/dbraw/zinc/15/84/67/1121158467.db2.gz LNJJMFXRUBGTFO-CYBMUJFWSA-N 0 1 281.355 3.755 20 0 CHADMN Cc1csc([C@H](C)N[C@@H](C)COc2ccc(C)cc2)n1 ZINC000701890045 1121172745 /nfs/dbraw/zinc/17/27/45/1121172745.db2.gz LNLNTJZKIBWFAX-JSGCOSHPSA-N 0 1 290.432 3.878 20 0 CHADMN COc1ccc(-c2nc(CN(C)C(C)C)cs2)cc1 ZINC000674753774 1121175793 /nfs/dbraw/zinc/17/57/93/1121175793.db2.gz NFOMYWRXNBJLIT-UHFFFAOYSA-N 0 1 276.405 3.659 20 0 CHADMN CCn1ccnc1NCc1ccccc1C(F)(F)F ZINC000061627130 1121180377 /nfs/dbraw/zinc/18/03/77/1121180377.db2.gz MYKIDQKAXKPQHE-UHFFFAOYSA-N 0 1 269.270 3.534 20 0 CHADMN CCOc1ccc(CN2CCc3ccccc3[C@@H]2C)nc1 ZINC000674863137 1121188101 /nfs/dbraw/zinc/18/81/01/1121188101.db2.gz GUTMGBGMXMDMBK-AWEZNQCLSA-N 0 1 282.387 3.600 20 0 CHADMN Clc1ccsc1CN1CCOC[C@H](C2CCC2)C1 ZINC000429241224 1121188499 /nfs/dbraw/zinc/18/84/99/1121188499.db2.gz VWWPKANSCSOMHD-GFCCVEGCSA-N 0 1 285.840 3.650 20 0 CHADMN Cc1[nH+]c2c(Nc3ccc(C(=O)[O-])c(F)c3)cccn2c1C ZINC001175159065 1121189453 /nfs/dbraw/zinc/18/94/53/1121189453.db2.gz YIXTYCUQRMJSAH-UHFFFAOYSA-N 0 1 299.305 3.532 20 0 CHADMN C[C@]1(c2ccccc2)CCN(Cc2noc3c2CCCC3)C1 ZINC000674870355 1121190735 /nfs/dbraw/zinc/19/07/35/1121190735.db2.gz SYWSBZIJLRCVQU-IBGZPJMESA-N 0 1 296.414 3.717 20 0 CHADMN COC[C@H](N[C@@H]1CCc2ccccc21)c1cccc(OC)c1 ZINC000658162080 1121194709 /nfs/dbraw/zinc/19/47/09/1121194709.db2.gz BMRJDONJNYLQPT-MOPGFXCFSA-N 0 1 297.398 3.660 20 0 CHADMN COc1ccc2nc(SCCCOC(C)(C)C)[nH]c2c1 ZINC000674922898 1121199458 /nfs/dbraw/zinc/19/94/58/1121199458.db2.gz IXRZVVRTGSJSNC-UHFFFAOYSA-N 0 1 294.420 3.869 20 0 CHADMN Cc1occc1CNCc1ccc(Br)cc1 ZINC000067218050 1121206179 /nfs/dbraw/zinc/20/61/79/1121206179.db2.gz OFWBHFDYIDFFRR-UHFFFAOYSA-N 0 1 280.165 3.640 20 0 CHADMN Cc1occc1CNCc1ccc(C(F)(F)F)cc1 ZINC000067217876 1121207021 /nfs/dbraw/zinc/20/70/21/1121207021.db2.gz WZMZPCGZLVZDOP-UHFFFAOYSA-N 0 1 269.266 3.897 20 0 CHADMN CCOc1cc(C)c(-n2c(N)nc3ccccc32)c(C)c1 ZINC001175172135 1121215085 /nfs/dbraw/zinc/21/50/85/1121215085.db2.gz WTVCUDQPSMDVFW-UHFFFAOYSA-N 0 1 281.359 3.623 20 0 CHADMN CC(C)(C)c1n[nH]cc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000093690203 1128970297 /nfs/dbraw/zinc/97/02/97/1128970297.db2.gz DYJSTMQSWRSKGQ-UONOGXRCSA-N 0 1 293.480 3.567 20 0 CHADMN CC(C)(C)c1n[nH]cc1CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000093690203 1128970299 /nfs/dbraw/zinc/97/02/99/1128970299.db2.gz DYJSTMQSWRSKGQ-UONOGXRCSA-N 0 1 293.480 3.567 20 0 CHADMN CC(C)(C)c1n[nH]cc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000093690201 1128970597 /nfs/dbraw/zinc/97/05/97/1128970597.db2.gz DYJSTMQSWRSKGQ-KBPBESRZSA-N 0 1 293.480 3.567 20 0 CHADMN CC(C)(C)c1n[nH]cc1CN1CCS[C@H]2CCCC[C@@H]21 ZINC000093690201 1128970600 /nfs/dbraw/zinc/97/06/00/1128970600.db2.gz DYJSTMQSWRSKGQ-KBPBESRZSA-N 0 1 293.480 3.567 20 0 CHADMN Brc1cnccc1CN1CCCCCCC1 ZINC000702940539 1121220942 /nfs/dbraw/zinc/22/09/42/1121220942.db2.gz NRXNTUPDIZZRSA-UHFFFAOYSA-N 0 1 283.213 3.610 20 0 CHADMN Cc1cc([C@@H](C)NCc2c(C3CC3)cnn2C)cs1 ZINC000658211323 1121226863 /nfs/dbraw/zinc/22/68/63/1121226863.db2.gz DPDOBVLNFZOUOZ-LLVKDONJSA-N 0 1 275.421 3.518 20 0 CHADMN Clc1ccc(CN2CCC(C3CCC3)CC2)cn1 ZINC000703109953 1121232278 /nfs/dbraw/zinc/23/22/78/1121232278.db2.gz CPVKBOJVCMYMKY-UHFFFAOYSA-N 0 1 264.800 3.747 20 0 CHADMN CC(=O)c1ccc(Nc2cnc3cccc(C)n23)cc1F ZINC001175232395 1121233921 /nfs/dbraw/zinc/23/39/21/1121233921.db2.gz BJSLCYFIEIPYRR-UHFFFAOYSA-N 0 1 283.306 3.728 20 0 CHADMN CC(C)(C)CCC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000261559066 1121237373 /nfs/dbraw/zinc/23/73/73/1121237373.db2.gz KLJIKHXDIXDIAR-MCIONIFRSA-N 0 1 267.413 3.530 20 0 CHADMN CC(C)C[C@H]1CCCN(Cc2noc3c2CCCC3)C1 ZINC000675249900 1121241438 /nfs/dbraw/zinc/24/14/38/1121241438.db2.gz KITJNCVAGLAYJK-CQSZACIVSA-N 0 1 276.424 3.812 20 0 CHADMN CCOc1ccc(Nc2ccc3nccn3c2)c(C)c1 ZINC001175243116 1121242169 /nfs/dbraw/zinc/24/21/69/1121242169.db2.gz NLNKYOJSLJTACW-UHFFFAOYSA-N 0 1 267.332 3.785 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@@H]1CCc2ccc(O)cc21 ZINC000658239043 1121245341 /nfs/dbraw/zinc/24/53/41/1121245341.db2.gz SXFNZOISDVNLFD-SJKOYZFVSA-N 0 1 282.387 3.688 20 0 CHADMN CCOc1ccc(Nc2ccnn2-c2ccncc2)c(F)c1 ZINC001175249256 1121245608 /nfs/dbraw/zinc/24/56/08/1121245608.db2.gz JDWTWUJCGYLHKK-UHFFFAOYSA-N 0 1 298.321 3.549 20 0 CHADMN C[C@@H]1CC[N@@H+](CCSCc2ccccc2)C[C@H]1F ZINC000619166686 1128973053 /nfs/dbraw/zinc/97/30/53/1128973053.db2.gz VDFUFCWQJBJPAE-UKRRQHHQSA-N 0 1 267.413 3.600 20 0 CHADMN C[C@@H]1CCN(CCSCc2ccccc2)C[C@H]1F ZINC000619166686 1128973056 /nfs/dbraw/zinc/97/30/56/1128973056.db2.gz VDFUFCWQJBJPAE-UKRRQHHQSA-N 0 1 267.413 3.600 20 0 CHADMN COCC(C)(C)N(C)Cc1nc(-c2ccsc2)oc1C ZINC000429246608 1121261324 /nfs/dbraw/zinc/26/13/24/1121261324.db2.gz OQUBEHHPBUXLPO-UHFFFAOYSA-N 0 1 294.420 3.568 20 0 CHADMN CCCc1cc(C(=O)N2CCC(CCC(C)C)CC2)n[nH]1 ZINC000675370898 1121266073 /nfs/dbraw/zinc/26/60/73/1121266073.db2.gz CFCIUXROCTWCBV-UHFFFAOYSA-N 0 1 291.439 3.651 20 0 CHADMN Cc1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1F ZINC000007774651 1121271706 /nfs/dbraw/zinc/27/17/06/1121271706.db2.gz BVEBBNFGEQMSNP-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN C[C@@H](N[C@H](CCO)c1cccs1)c1ccccc1F ZINC000766127173 1121290292 /nfs/dbraw/zinc/29/02/92/1121290292.db2.gz AXORMFZQLMSXPV-BXUZGUMPSA-N 0 1 279.380 3.662 20 0 CHADMN C[N@@H+](CCC1CC1)Cc1ccc(C(F)(F)F)s1 ZINC000432717671 1121295917 /nfs/dbraw/zinc/29/59/17/1121295917.db2.gz DSMXMJCKIBLSMS-UHFFFAOYSA-N 0 1 263.328 3.999 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(C(F)(F)F)s2)[C@@H]1C ZINC000432724472 1121296743 /nfs/dbraw/zinc/29/67/43/1121296743.db2.gz GFGLYJMMXHNWLJ-RKDXNWHRSA-N 0 1 263.328 3.997 20 0 CHADMN CSC[C@H]1CCCN1Cc1nc2ccc(F)cc2s1 ZINC000432723495 1121299287 /nfs/dbraw/zinc/29/92/87/1121299287.db2.gz BBZITGZTDFJYIN-LLVKDONJSA-N 0 1 296.436 3.763 20 0 CHADMN CCC(CC)(CC)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000675477017 1121316706 /nfs/dbraw/zinc/31/67/06/1121316706.db2.gz OMGNSOQFULHENH-UHFFFAOYSA-N 0 1 291.370 3.535 20 0 CHADMN Cc1ccc([C@H]2CCC[C@H]2N(C)Cc2cocn2)cc1 ZINC000432749410 1121319557 /nfs/dbraw/zinc/31/95/57/1121319557.db2.gz UNBCZRXBRSDJCY-IAGOWNOFSA-N 0 1 270.376 3.751 20 0 CHADMN CSc1ccccc1CN1CCOC[C@H]1CC(C)C ZINC000511135937 1121320783 /nfs/dbraw/zinc/32/07/83/1121320783.db2.gz RMZJTPXSVQPTHI-OAHLLOKOSA-N 0 1 279.449 3.655 20 0 CHADMN CCc1ccccc1CNCc1ccc(Cl)cn1 ZINC000703919272 1121323267 /nfs/dbraw/zinc/32/32/67/1121323267.db2.gz KBNPRAWVAXRYGR-UHFFFAOYSA-N 0 1 260.768 3.587 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2c(F)ccc(O)c2F)C1 ZINC000512411483 1121324134 /nfs/dbraw/zinc/32/41/34/1121324134.db2.gz YQCQCMHGCFRQMR-SNVBAGLBSA-N 0 1 269.335 3.538 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc2n[nH]cc2c1C ZINC001175466141 1121331096 /nfs/dbraw/zinc/33/10/96/1121331096.db2.gz QXWXUCXFJZDJAU-UHFFFAOYSA-N 0 1 295.321 3.710 20 0 CHADMN Cc1cc2ccc(N)cc2n1-c1ccc2n[nH]cc2c1C ZINC001175467036 1121331626 /nfs/dbraw/zinc/33/16/26/1121331626.db2.gz INEOBUABFDGHDY-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN Cc1c2c[nH]nc2ccc1-n1ccc2c1cc(F)cc2N ZINC001175467207 1121331830 /nfs/dbraw/zinc/33/18/30/1121331830.db2.gz NUDKQBQPUZNXSS-UHFFFAOYSA-N 0 1 280.306 3.537 20 0 CHADMN Cc1cc(N)cc2c1ccn2-c1ccc2n[nH]cc2c1C ZINC001175467827 1121332156 /nfs/dbraw/zinc/33/21/56/1121332156.db2.gz JYLSQRRSCCIDCM-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN CCCCOc1ccc(CNCc2ccc(F)cn2)cc1 ZINC000675645274 1121332770 /nfs/dbraw/zinc/33/27/70/1121332770.db2.gz KFXGWEKJHILETM-UHFFFAOYSA-N 0 1 288.366 3.689 20 0 CHADMN C[C@@H]1CC[C@@H](N(C)Cc2ccn(-c3ccccc3F)n2)C1 ZINC000429577226 1121338876 /nfs/dbraw/zinc/33/88/76/1121338876.db2.gz FAKZLMPRUMKTKZ-UKRRQHHQSA-N 0 1 287.382 3.632 20 0 CHADMN C[C@H]1CC[C@@H](N(C)Cc2ccn(C3CCCC3)n2)C1 ZINC000429579746 1121340238 /nfs/dbraw/zinc/34/02/38/1121340238.db2.gz RMWUMRWIMKMPAF-XJKSGUPXSA-N 0 1 261.413 3.619 20 0 CHADMN Cc1occc1CN[C@@H]1CCCOc2cc(C)ccc21 ZINC000675779901 1121356104 /nfs/dbraw/zinc/35/61/04/1121356104.db2.gz RCOWPTAEZKRREN-MRXNPFEDSA-N 0 1 271.360 3.900 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cncc(OC(F)F)c1 ZINC001175523738 1121363998 /nfs/dbraw/zinc/36/39/98/1121363998.db2.gz LRHVWMPIQSMMLX-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ncccc1Cl ZINC001175523258 1121364017 /nfs/dbraw/zinc/36/40/17/1121364017.db2.gz CPHOXONAFHRPNB-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@@H](C)c1ccc(C)s1 ZINC000675808076 1121364031 /nfs/dbraw/zinc/36/40/31/1121364031.db2.gz IZQUQGCOFNEESR-ZDUSSCGKSA-N 0 1 290.432 3.928 20 0 CHADMN CC[C@@H](NCc1ccc(O)cc1)c1cc(F)ccc1F ZINC000675802114 1121364049 /nfs/dbraw/zinc/36/40/49/1121364049.db2.gz JELWJTJJVOAFEO-MRXNPFEDSA-N 0 1 277.314 3.911 20 0 CHADMN Cc1cc(Nc2c3cn[nH]c3ccc2C)n(CC2CC2)n1 ZINC001175524956 1121365226 /nfs/dbraw/zinc/36/52/26/1121365226.db2.gz YQEDUTGTMZLHTQ-UHFFFAOYSA-N 0 1 281.363 3.530 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccccc1C(C)(C)O ZINC001175525822 1121365266 /nfs/dbraw/zinc/36/52/66/1121365266.db2.gz HAKXXGHQRMACPR-UHFFFAOYSA-N 0 1 281.359 3.842 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc(F)c1F ZINC001175525934 1121365591 /nfs/dbraw/zinc/36/55/91/1121365591.db2.gz KWOYEWYZOHPTDP-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN CCC[C@H](N[C@@H](C)c1cnc(C)nc1C)c1ccccn1 ZINC000675815371 1121365999 /nfs/dbraw/zinc/36/59/99/1121365999.db2.gz BGMDPZQDGNLQLE-GUYCJALGSA-N 0 1 284.407 3.680 20 0 CHADMN COc1c(F)ccc(Nc2c3cn[nH]c3ccc2C)c1F ZINC001175525856 1121366244 /nfs/dbraw/zinc/36/62/44/1121366244.db2.gz INBAHMNYVCETHJ-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1cc(Cl)nc(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175524821 1121366441 /nfs/dbraw/zinc/36/64/41/1121366441.db2.gz YAEXDNVUIXDMRZ-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN CCC[C@H](N[C@@H](C)c1cncs1)c1ccccn1 ZINC000675815933 1121366625 /nfs/dbraw/zinc/36/66/25/1121366625.db2.gz HJZVRBJLVGTUGA-AAEUAGOBSA-N 0 1 261.394 3.730 20 0 CHADMN COc1c(F)cc(F)cc1Nc1c2cn[nH]c2ccc1C ZINC001175525816 1121366959 /nfs/dbraw/zinc/36/69/59/1121366959.db2.gz GRAUVUFFCCDUOT-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1nn(C)c2cc(Nc3c4cn[nH]c4ccc3C)ccc12 ZINC001175525866 1121367000 /nfs/dbraw/zinc/36/70/00/1121367000.db2.gz IUBJMEDQXZVSOW-UHFFFAOYSA-N 0 1 291.358 3.810 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc(-n2ccnc2)c1 ZINC001175525955 1121367020 /nfs/dbraw/zinc/36/70/20/1121367020.db2.gz LHSJEJTULUYIGP-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN COc1cc(F)ccc1Nc1c2cn[nH]c2ccc1C ZINC001175526381 1121367447 /nfs/dbraw/zinc/36/74/47/1121367447.db2.gz NIGYSILEJCKJBB-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1nc2sccc2c(Nc2c3cn[nH]c3ccc2C)n1 ZINC001175525964 1121368784 /nfs/dbraw/zinc/36/87/84/1121368784.db2.gz PWGXEYLNYRCTSU-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2c(c1)CCC2=O ZINC001175526844 1121369017 /nfs/dbraw/zinc/36/90/17/1121369017.db2.gz XBKACFFRGUBBNR-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc(Cl)c1O ZINC001175526623 1121369273 /nfs/dbraw/zinc/36/92/73/1121369273.db2.gz VWHKRMPKQVVCLD-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN COc1nccc(Nc2c3cn[nH]c3ccc2C)c1Cl ZINC001175526416 1121369381 /nfs/dbraw/zinc/36/93/81/1121369381.db2.gz UZEGARUMPMCUQC-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2c1ncn2C ZINC001175527927 1121371228 /nfs/dbraw/zinc/37/12/28/1121371228.db2.gz WZAGFPHVGGQHOY-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN CC(C)CCOc1ccc(CN[C@@H](C)CF)cc1 ZINC000644891944 1121372445 /nfs/dbraw/zinc/37/24/45/1121372445.db2.gz IWWONONNKTZPFL-ZDUSSCGKSA-N 0 1 253.361 3.559 20 0 CHADMN CN1CCC=C(Nc2cc(F)ccc2OC2CCCC2)C1 ZINC001175582365 1121372615 /nfs/dbraw/zinc/37/26/15/1121372615.db2.gz AAWBWKTTXJONGD-UHFFFAOYSA-N 0 1 290.382 3.778 20 0 CHADMN COc1cc(C)cc(Nc2c(C)nc3ccc(F)cn32)c1 ZINC001211726587 1121373749 /nfs/dbraw/zinc/37/37/49/1121373749.db2.gz KGTCQFRHLLMVCB-UHFFFAOYSA-N 0 1 285.322 3.842 20 0 CHADMN Clc1ccc(N[C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000675895069 1121378228 /nfs/dbraw/zinc/37/82/28/1121378228.db2.gz CMJZIUMIXYJHDY-CQSZACIVSA-N 0 1 284.750 3.660 20 0 CHADMN C[C@@H](N[C@@H](Cc1nccn1C)c1ccccc1)c1ccco1 ZINC000675920313 1121383105 /nfs/dbraw/zinc/38/31/05/1121383105.db2.gz JZFIKXROHMYBPW-ZBFHGGJFSA-N 0 1 295.386 3.648 20 0 CHADMN CC1(C[N@H+]2CCc3c(F)ccc(F)c3C2)CCC1 ZINC000432821201 1121386593 /nfs/dbraw/zinc/38/65/93/1121386593.db2.gz JIPWHYGLBHGFAM-UHFFFAOYSA-N 0 1 251.320 3.513 20 0 CHADMN CC1(CN2CCc3c(F)ccc(F)c3C2)CCC1 ZINC000432821201 1121386601 /nfs/dbraw/zinc/38/66/01/1121386601.db2.gz JIPWHYGLBHGFAM-UHFFFAOYSA-N 0 1 251.320 3.513 20 0 CHADMN Cc1ccc(-c2nnc(CN(C)[C@H]3CC[C@H](C)C3)o2)cc1 ZINC000429585681 1121388529 /nfs/dbraw/zinc/38/85/29/1121388529.db2.gz SOAWNCKKDFLGAD-ZFWWWQNUSA-N 0 1 285.391 3.665 20 0 CHADMN Cc1c(Br)cc(F)cc1NC1=CCCN(C)C1 ZINC001175578189 1121395331 /nfs/dbraw/zinc/39/53/31/1121395331.db2.gz FHOAXJGBBRXILP-UHFFFAOYSA-N 0 1 299.187 3.528 20 0 CHADMN Cc1cc(OC(F)(F)F)ccc1NC1=CCCN(C)C1 ZINC001175576728 1121395950 /nfs/dbraw/zinc/39/59/50/1121395950.db2.gz RULBOUUHGFJLQU-UHFFFAOYSA-N 0 1 286.297 3.525 20 0 CHADMN Cc1c(F)cc(NC2=CCCN(C)C2)cc1Br ZINC001175578139 1121396738 /nfs/dbraw/zinc/39/67/38/1121396738.db2.gz HTDBMWMCQRLLTF-UHFFFAOYSA-N 0 1 299.187 3.528 20 0 CHADMN Cc1c(F)c(Br)ccc1NC1=CCCN(C)C1 ZINC001175579626 1121396877 /nfs/dbraw/zinc/39/68/77/1121396877.db2.gz ZHDTWLSIJDIWAX-UHFFFAOYSA-N 0 1 299.187 3.528 20 0 CHADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000662217234 1121397364 /nfs/dbraw/zinc/39/73/64/1121397364.db2.gz WXRHNDPMEZPGPJ-ZFWWWQNUSA-N 0 1 289.419 3.527 20 0 CHADMN CC(C)n1cc([C@@H](C)NCc2ccc(C(F)F)nc2)cn1 ZINC000631072512 1128982799 /nfs/dbraw/zinc/98/27/99/1128982799.db2.gz WJAYVJRAEAJJNT-LLVKDONJSA-N 0 1 294.349 3.647 20 0 CHADMN CCc1cc(Cl)ccc1NC1=CCCN(C)C1 ZINC001175580801 1121398643 /nfs/dbraw/zinc/39/86/43/1121398643.db2.gz UQKKMBBHHHEERK-UHFFFAOYSA-N 0 1 250.773 3.534 20 0 CHADMN CC(C)Sc1ccc(Nc2ccnc(CO)c2)cc1 ZINC001175623759 1121399506 /nfs/dbraw/zinc/39/95/06/1121399506.db2.gz NIBMMCFLBPBIIU-UHFFFAOYSA-N 0 1 274.389 3.818 20 0 CHADMN CCc1noc(CN2CCC[C@@H]2CCC2CCCCC2)n1 ZINC000676041628 1121400162 /nfs/dbraw/zinc/40/01/62/1121400162.db2.gz JSPOFLHSZVGMQX-OAHLLOKOSA-N 0 1 291.439 3.957 20 0 CHADMN C[C@]1(C2CCCCC2)CCN1Cc1nc(C2CCC2)no1 ZINC001175643321 1121406512 /nfs/dbraw/zinc/40/65/12/1121406512.db2.gz RYLDVCWMVSPOSD-QGZVFWFLSA-N 0 1 289.423 3.882 20 0 CHADMN CCN(CCn1nc(C)cc1C)Cc1ccc(Cl)s1 ZINC000345073841 1121414324 /nfs/dbraw/zinc/41/43/24/1121414324.db2.gz KPJMEPRWJDKYOP-UHFFFAOYSA-N 0 1 297.855 3.737 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4c3CCCO4)cc21 ZINC001175703291 1121414841 /nfs/dbraw/zinc/41/48/41/1121414841.db2.gz ZVGGVJWDEMVOMD-UHFFFAOYSA-N 0 1 279.343 3.940 20 0 CHADMN Cc1[nH]nc2ccc(Nc3nsc4ncccc34)cc21 ZINC001175695063 1121414948 /nfs/dbraw/zinc/41/49/48/1121414948.db2.gz WHFSNTJZRNYPRQ-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN COc1cc(Nc2ccc3n[nH]c(C)c3c2)cc(Cl)n1 ZINC001175694114 1121415370 /nfs/dbraw/zinc/41/53/70/1121415370.db2.gz NNKPKAMVMRTIHU-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cncc(N4CCCC4)c3)cc21 ZINC001175698608 1121416628 /nfs/dbraw/zinc/41/66/28/1121416628.db2.gz BRBWLUZIATVBKP-UHFFFAOYSA-N 0 1 293.374 3.610 20 0 CHADMN COc1ccccc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175700189 1121417689 /nfs/dbraw/zinc/41/76/89/1121417689.db2.gz WKGDKUYJAYPZRA-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN COc1ccc(F)c(Nc2ccc3n[nH]c(C)c3c2)c1F ZINC001175700305 1121417960 /nfs/dbraw/zinc/41/79/60/1121417960.db2.gz IZHWCQOVGVKSHK-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(N)cc3Cl)cc12 ZINC001175700667 1121417990 /nfs/dbraw/zinc/41/79/90/1121417990.db2.gz RDASWWWCMIHGPM-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(CO)c(Cl)c3)cc12 ZINC001175701905 1121418956 /nfs/dbraw/zinc/41/89/56/1121418956.db2.gz JFCCCGLFDLMBRS-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN COc1cccc(C(C)=O)c1Nc1ccc2n[nH]c(C)c2c1 ZINC001175701827 1121419244 /nfs/dbraw/zinc/41/92/44/1121419244.db2.gz HRBBBYXDJYFCKQ-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4c(c3)[C@H](O)CCC4)cc12 ZINC001175702711 1121420492 /nfs/dbraw/zinc/42/04/92/1121420492.db2.gz UYLPGQUMJOWYDX-GOSISDBHSA-N 0 1 293.370 3.985 20 0 CHADMN COc1c(F)cccc1CN(C)Cc1ccccc1C ZINC001143532783 1121422453 /nfs/dbraw/zinc/42/24/53/1121422453.db2.gz LJEBMCIEDBQEFE-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN Cc1[nH]nc2cc(Nc3nc(C(C)(C)C)ns3)ccc21 ZINC001175659248 1121422742 /nfs/dbraw/zinc/42/27/42/1121422742.db2.gz IJGPMMGCTXRCDE-UHFFFAOYSA-N 0 1 287.392 3.764 20 0 CHADMN Cc1[nH]nc2cc(Nc3cnc4c(ccn4C)c3)ccc12 ZINC001175658960 1121422954 /nfs/dbraw/zinc/42/29/54/1121422954.db2.gz BQYRPIUYDOWGQV-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN CCOc1cc(NCc2[nH]nc3ccccc32)ccc1C ZINC000676322551 1121423881 /nfs/dbraw/zinc/42/38/81/1121423881.db2.gz CPGDZSWLWSAOCE-UHFFFAOYSA-N 0 1 281.359 3.882 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(-n4cccn4)cc3)ccc12 ZINC001175661343 1121424323 /nfs/dbraw/zinc/42/43/23/1121424323.db2.gz GWJLXZQOJZDPIG-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1cc(Nc2ccc3c(C)[nH]nc3c2)n(C(C)C)n1 ZINC001175659880 1121425033 /nfs/dbraw/zinc/42/50/33/1121425033.db2.gz QLMBAJLGOWXNSU-UHFFFAOYSA-N 0 1 269.352 3.701 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4c3CCC4=O)ccc12 ZINC001175662558 1121425862 /nfs/dbraw/zinc/42/58/62/1121425862.db2.gz RSDACNGEZOZLEK-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4c(c3)N(C)CC4)ccc21 ZINC001175664139 1121427681 /nfs/dbraw/zinc/42/76/81/1121427681.db2.gz VODLIBPMAYTALX-UHFFFAOYSA-N 0 1 278.359 3.607 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4nnsc43)ccc21 ZINC001175666476 1121427803 /nfs/dbraw/zinc/42/78/03/1121427803.db2.gz WNTSBWDAJNLMOG-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN CC(=O)c1ccc(F)cc1Nc1ccc2c(C)[nH]nc2c1 ZINC001175663310 1121428043 /nfs/dbraw/zinc/42/80/43/1121428043.db2.gz XJBLXHWRTUWUQZ-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN O=C(Nc1nc(C2CCC2)n[nH]1)c1ccc2sccc2c1 ZINC000544812112 1121429167 /nfs/dbraw/zinc/42/91/67/1121429167.db2.gz JLQGGMLDFDLRPL-UHFFFAOYSA-N 0 1 298.371 3.539 20 0 CHADMN O=C(Nc1n[nH]c(C2CCC2)n1)c1ccc2sccc2c1 ZINC000544812112 1121429170 /nfs/dbraw/zinc/42/91/70/1121429170.db2.gz JLQGGMLDFDLRPL-UHFFFAOYSA-N 0 1 298.371 3.539 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)N1CC[C@H](CF)C1 ZINC001175716501 1121436509 /nfs/dbraw/zinc/43/65/09/1121436509.db2.gz VMRGZGCABSCQHI-VHSXEESVSA-N 0 1 259.727 3.832 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2[nH]nc(C)c2C)cc1 ZINC000893910861 1121438736 /nfs/dbraw/zinc/43/87/36/1121438736.db2.gz OOVZIEKCECUXNW-GOSISDBHSA-N 0 1 299.418 3.762 20 0 CHADMN Cc1nc([C@@H](C)NCCc2c(F)cccc2F)c(C)s1 ZINC000676490388 1121439911 /nfs/dbraw/zinc/43/99/11/1121439911.db2.gz OOKRHOKIQSUTNG-SECBINFHSA-N 0 1 296.386 3.931 20 0 CHADMN COCCN(Cc1ccc(C)cc1C)Cc1cnccc1C ZINC000676557497 1121443446 /nfs/dbraw/zinc/44/34/46/1121443446.db2.gz VBUSKNJOYPSUTC-UHFFFAOYSA-N 0 1 298.430 3.655 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(OC(F)F)c2)nc1 ZINC000676557270 1121443512 /nfs/dbraw/zinc/44/35/12/1121443512.db2.gz PIBLJMVOBQKZLC-UHFFFAOYSA-N 0 1 292.329 3.623 20 0 CHADMN CCN(Cc1ocnc1C)[C@H](C)c1cccc(OC)c1 ZINC000893952958 1121446934 /nfs/dbraw/zinc/44/69/34/1121446934.db2.gz XOOCRUKIORKEIB-CYBMUJFWSA-N 0 1 274.364 3.575 20 0 CHADMN Nc1cncn1-c1ccc2sc3ccccc3c2c1 ZINC001175751377 1121447215 /nfs/dbraw/zinc/44/72/15/1121447215.db2.gz NJLDCYZYGMRCLM-UHFFFAOYSA-N 0 1 265.341 3.822 20 0 CHADMN C[C@H](NC1C[C@H]2CCC[C@@H]2C1)c1nc(C(C)(C)C)no1 ZINC000893971923 1121448292 /nfs/dbraw/zinc/44/82/92/1121448292.db2.gz OKKMPOMNFFJJIW-QJPTWQEYSA-N 0 1 277.412 3.596 20 0 CHADMN Cc1ccc(CN2CCS[C@H](c3ccccc3)C2)nc1 ZINC000676605906 1121449261 /nfs/dbraw/zinc/44/92/61/1121449261.db2.gz SBFXYFRVARPSSE-KRWDZBQOSA-N 0 1 284.428 3.680 20 0 CHADMN FC(F)[C@H]1CCN(Cc2cc3ccccc3nc2Cl)C1 ZINC000707169421 1121452124 /nfs/dbraw/zinc/45/21/24/1121452124.db2.gz WSNTUAKDAXTTRO-NSHDSACASA-N 0 1 296.748 3.975 20 0 CHADMN COC(=O)c1cc(N=C2CCCCC2)c(F)cc1F ZINC001175753658 1121452627 /nfs/dbraw/zinc/45/26/27/1121452627.db2.gz UKLDZNNZRYWRSV-UHFFFAOYSA-N 0 1 267.275 3.621 20 0 CHADMN Cc1ncsc1CN(C)C/C=C\c1cccc(F)c1 ZINC000893999713 1121454550 /nfs/dbraw/zinc/45/45/50/1121454550.db2.gz DBDFOXALFZGMHD-XQRVVYSFSA-N 0 1 276.380 3.736 20 0 CHADMN C[C@H](c1ccco1)N(C[C@H]1COc2ccccc2O1)C1CC1 ZINC000676705366 1121457494 /nfs/dbraw/zinc/45/74/94/1121457494.db2.gz OSJGEASKQKXPQQ-HIFRSBDPSA-N 0 1 299.370 3.645 20 0 CHADMN Cc1n[nH]c(CN2CCCCC[C@@H]2c2ccco2)c1C ZINC000894026433 1121457791 /nfs/dbraw/zinc/45/77/91/1121457791.db2.gz GMHUIBUCVLTTRZ-OAHLLOKOSA-N 0 1 273.380 3.737 20 0 CHADMN CSc1cc(CNCc2ccc(C)cc2F)ccn1 ZINC000631106932 1128985703 /nfs/dbraw/zinc/98/57/03/1128985703.db2.gz XNBDENVABOMHDX-UHFFFAOYSA-N 0 1 276.380 3.541 20 0 CHADMN CSC1CC(N[C@H](c2ccccc2)c2ccccn2)C1 ZINC000708320214 1121465184 /nfs/dbraw/zinc/46/51/84/1121465184.db2.gz KHUVZBQCDYHYCF-VMBOVVBDSA-N 0 1 284.428 3.655 20 0 CHADMN COc1c(F)cc(F)cc1CN1[C@H](C)CCC[C@@H]1C ZINC001143551433 1121465963 /nfs/dbraw/zinc/46/59/63/1121465963.db2.gz YCDZBWQFEGIWJO-PHIMTYICSA-N 0 1 269.335 3.736 20 0 CHADMN C[C@@]1(C(F)(F)F)CCN(CCC(=O)c2ccccc2)C1 ZINC000709048278 1121467391 /nfs/dbraw/zinc/46/73/91/1121467391.db2.gz LNYGBNIGYJWSJE-CQSZACIVSA-N 0 1 285.309 3.534 20 0 CHADMN C[C@@H](C[N@H+]1CCCC[C@@H]1CCC(=O)[O-])CC(C)(C)C ZINC000709118760 1121468857 /nfs/dbraw/zinc/46/88/57/1121468857.db2.gz PMQUIMNYHZMOGH-ZIAGYGMSSA-N 0 1 269.429 3.778 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1cn(C)cn1)c1ccc(F)cc1 ZINC000709931864 1121471640 /nfs/dbraw/zinc/47/16/40/1121471640.db2.gz GUYBOBPQOHCBIU-BLLLJJGKSA-N 0 1 275.371 3.607 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)C(C)(C)C)c1cn(C)cn1 ZINC000709928253 1121472084 /nfs/dbraw/zinc/47/20/84/1121472084.db2.gz MYARCJGZIMDONA-CJNGLKHVSA-N 0 1 271.408 3.858 20 0 CHADMN C[C@@H]1CCN(Cc2nc3ccc(F)cc3s2)CCS1 ZINC000432928032 1121482526 /nfs/dbraw/zinc/48/25/26/1121482526.db2.gz PTJNRAYBYUCANM-SNVBAGLBSA-N 0 1 296.436 3.763 20 0 CHADMN Cc1cn[nH]c1CNc1cccc(COC(C)(C)C)c1 ZINC000922915365 1121488410 /nfs/dbraw/zinc/48/84/10/1121488410.db2.gz SNKVZQLOOVJXFA-UHFFFAOYSA-N 0 1 273.380 3.645 20 0 CHADMN CC[C@@H](N[C@@H](c1ccc(OC)cc1)C1CC1)c1ccn(C)n1 ZINC000543591420 1121492447 /nfs/dbraw/zinc/49/24/47/1121492447.db2.gz IELXHAXVIIIGJG-SJLPKXTDSA-N 0 1 299.418 3.621 20 0 CHADMN c1ccc2c(c1)snc2CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777176 1121494375 /nfs/dbraw/zinc/49/43/75/1121494375.db2.gz BLTUKDZDVBAZBS-NEPJUHHUSA-N 0 1 290.457 3.766 20 0 CHADMN Oc1ccc(Cl)c(CN2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000625777965 1121494874 /nfs/dbraw/zinc/49/48/74/1121494874.db2.gz LHXYWXGBXIVJIN-OLZOCXBDSA-N 0 1 283.824 3.516 20 0 CHADMN CC[C@@H](CN1CC[C@H]1c1ccc(Cl)cc1)OC ZINC000419223232 1121502289 /nfs/dbraw/zinc/50/22/89/1121502289.db2.gz YHRSTMMNBYDDNI-KBPBESRZSA-N 0 1 253.773 3.512 20 0 CHADMN CCCc1cccc(CNCc2c(C)noc2CC)c1 ZINC000922985196 1121503886 /nfs/dbraw/zinc/50/38/86/1121503886.db2.gz XQUHKYGLWIISKW-UHFFFAOYSA-N 0 1 272.392 3.788 20 0 CHADMN C[C@@H]1CCCN(Cc2nc3ccc(Cl)cc3n2C)[C@H]1C ZINC000512652337 1121510477 /nfs/dbraw/zinc/51/04/77/1121510477.db2.gz MCVBZJOXBMYISB-NEPJUHHUSA-N 0 1 291.826 3.847 20 0 CHADMN C[C@]1(NCc2ccc(Cl)nc2)CCOc2ccccc21 ZINC000923024151 1121514400 /nfs/dbraw/zinc/51/44/00/1121514400.db2.gz GNRMIVOOQBBGLA-INIZCTEOSA-N 0 1 288.778 3.523 20 0 CHADMN CCc1ccccc1N1N=C2CCCCC[C@@H]2C1=O ZINC000614186910 1121516110 /nfs/dbraw/zinc/51/61/10/1121516110.db2.gz OGEKCXZCVPTAKU-ZDUSSCGKSA-N 0 1 256.349 3.532 20 0 CHADMN CCc1ccccc1-n1[nH]c2c(c1=O)CCCCC2 ZINC000614186910 1121516115 /nfs/dbraw/zinc/51/61/15/1121516115.db2.gz OGEKCXZCVPTAKU-ZDUSSCGKSA-N 0 1 256.349 3.532 20 0 CHADMN c1ccc(-c2cncc(Nc3ccc4nn[nH]c4c3)c2)cc1 ZINC001175998990 1121518642 /nfs/dbraw/zinc/51/86/42/1121518642.db2.gz QGJGZLDTGPYUHI-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1ccc(-c2cncc(Nc3ccc4n[nH]nc4c3)c2)cc1 ZINC001175998990 1121518647 /nfs/dbraw/zinc/51/86/47/1121518647.db2.gz QGJGZLDTGPYUHI-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN Cc1cc(Nc2ccc3nn[nH]c3c2)c2cccc(F)c2n1 ZINC001175997742 1121518800 /nfs/dbraw/zinc/51/88/00/1121518800.db2.gz AGLWHEOXIUEZKJ-UHFFFAOYSA-N 0 1 293.305 3.697 20 0 CHADMN CC(C)(F)CNCc1cnc(CCc2ccccc2)s1 ZINC000631188300 1128990802 /nfs/dbraw/zinc/99/08/02/1128990802.db2.gz AKJJDEIULPOFAH-UHFFFAOYSA-N 0 1 292.423 3.766 20 0 CHADMN Cc1cc(Nc2ccc3n[nH]nc3c2)c2cccc(F)c2n1 ZINC001175997742 1121518804 /nfs/dbraw/zinc/51/88/04/1121518804.db2.gz AGLWHEOXIUEZKJ-UHFFFAOYSA-N 0 1 293.305 3.697 20 0 CHADMN c1cc(Nc2ccc(C3CCOCC3)cc2)cc2[nH]nnc12 ZINC001176002449 1121518908 /nfs/dbraw/zinc/51/89/08/1121518908.db2.gz NUFAZIMINVFILJ-UHFFFAOYSA-N 0 1 294.358 3.596 20 0 CHADMN c1cc(Nc2ccc(C3CCOCC3)cc2)cc2n[nH]nc12 ZINC001176002449 1121518912 /nfs/dbraw/zinc/51/89/12/1121518912.db2.gz NUFAZIMINVFILJ-UHFFFAOYSA-N 0 1 294.358 3.596 20 0 CHADMN Cc1cc(O)c(C(C)C)cc1Nc1ccc2nn[nH]c2c1 ZINC001176002387 1121519253 /nfs/dbraw/zinc/51/92/53/1121519253.db2.gz MHLMQABNVLOWCM-UHFFFAOYSA-N 0 1 282.347 3.839 20 0 CHADMN Cc1cc(O)c(C(C)C)cc1Nc1ccc2n[nH]nc2c1 ZINC001176002387 1121519257 /nfs/dbraw/zinc/51/92/57/1121519257.db2.gz MHLMQABNVLOWCM-UHFFFAOYSA-N 0 1 282.347 3.839 20 0 CHADMN Clc1cccc2cc(Nc3ccc4nn[nH]c4c3)cnc12 ZINC001175997747 1121519298 /nfs/dbraw/zinc/51/92/98/1121519298.db2.gz AIJYWYZZSXKNAL-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1cccc2cc(Nc3ccc4n[nH]nc4c3)cnc12 ZINC001175997747 1121519304 /nfs/dbraw/zinc/51/93/04/1121519304.db2.gz AIJYWYZZSXKNAL-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Cc1cc(Cl)nc(Cl)c1Nc1ccc2nn[nH]c2c1 ZINC001175998859 1121519565 /nfs/dbraw/zinc/51/95/65/1121519565.db2.gz JPQWFDWNPXHQKJ-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1cc(Cl)nc(Cl)c1Nc1ccc2n[nH]nc2c1 ZINC001175998859 1121519571 /nfs/dbraw/zinc/51/95/71/1121519571.db2.gz JPQWFDWNPXHQKJ-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Oc1ccc2c(cccc2Nc2ccc3nn[nH]c3c2)c1 ZINC001176001775 1121519585 /nfs/dbraw/zinc/51/95/85/1121519585.db2.gz BDQZEAZIVJDGOH-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN Oc1ccc2c(cccc2Nc2ccc3n[nH]nc3c2)c1 ZINC001176001775 1121519591 /nfs/dbraw/zinc/51/95/91/1121519591.db2.gz BDQZEAZIVJDGOH-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN c1c2c(sc1Nc1ccc3nn[nH]c3c1)CCCC2 ZINC001176002009 1121519631 /nfs/dbraw/zinc/51/96/31/1121519631.db2.gz NSTJJQPRABFNMS-UHFFFAOYSA-N 0 1 270.361 3.642 20 0 CHADMN c1c2c(sc1Nc1ccc3n[nH]nc3c1)CCCC2 ZINC001176002009 1121519634 /nfs/dbraw/zinc/51/96/34/1121519634.db2.gz NSTJJQPRABFNMS-UHFFFAOYSA-N 0 1 270.361 3.642 20 0 CHADMN CSc1ccc(Nc2ccc3nn[nH]c3c2)c(F)c1 ZINC001176004503 1121521178 /nfs/dbraw/zinc/52/11/78/1121521178.db2.gz LCRMSEPDMUCLSG-UHFFFAOYSA-N 0 1 274.324 3.563 20 0 CHADMN CSc1ccc(Nc2ccc3n[nH]nc3c2)c(F)c1 ZINC001176004503 1121521182 /nfs/dbraw/zinc/52/11/82/1121521182.db2.gz LCRMSEPDMUCLSG-UHFFFAOYSA-N 0 1 274.324 3.563 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H]2CCc3c2cccc3C)c1 ZINC000925370867 1121521759 /nfs/dbraw/zinc/52/17/59/1121521759.db2.gz MTHQDVZQGYHHDA-SUMWQHHRSA-N 0 1 282.387 3.737 20 0 CHADMN Fc1cc(-c2ncco2)ccc1CN(C1CC1)C1CC1 ZINC000625840806 1121521913 /nfs/dbraw/zinc/52/19/13/1121521913.db2.gz BLWYGDMCSIBMQL-UHFFFAOYSA-N 0 1 272.323 3.608 20 0 CHADMN CC(=O)c1ccc(Nc2ccc3nn[nH]c3c2)cc1Cl ZINC001176003049 1121522355 /nfs/dbraw/zinc/52/23/55/1121522355.db2.gz MEWZCSRQLDIHAM-UHFFFAOYSA-N 0 1 286.722 3.558 20 0 CHADMN CC(=O)c1ccc(Nc2ccc3n[nH]nc3c2)cc1Cl ZINC001176003049 1121522359 /nfs/dbraw/zinc/52/23/59/1121522359.db2.gz MEWZCSRQLDIHAM-UHFFFAOYSA-N 0 1 286.722 3.558 20 0 CHADMN Cc1cccc(OCCN[C@@H](C)c2cccnc2Cl)c1 ZINC000178706648 1121526017 /nfs/dbraw/zinc/52/60/17/1121526017.db2.gz QBBSTROKRLWCJE-ZDUSSCGKSA-N 0 1 290.794 3.773 20 0 CHADMN OC[C@H]1C[C@@H](NCc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000631198068 1128991218 /nfs/dbraw/zinc/99/12/18/1128991218.db2.gz FPYXILLRZJUOSP-OCAPTIKFSA-N 0 1 294.609 3.507 20 0 CHADMN CC[C@](C)(NCc1cc(C)no1)c1ccc(F)cc1 ZINC000631193417 1128991264 /nfs/dbraw/zinc/99/12/64/1128991264.db2.gz DJLVGNYWWULYEQ-HNNXBMFYSA-N 0 1 262.328 3.537 20 0 CHADMN COc1cccc(C[N@H+]2CCc3cccc(C)c3C2)c1OC ZINC000433032174 1121527658 /nfs/dbraw/zinc/52/76/58/1121527658.db2.gz LIRSEUZUPZMGIH-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN COc1cccc(CN2CCc3cccc(C)c3C2)c1OC ZINC000433032174 1121527665 /nfs/dbraw/zinc/52/76/65/1121527665.db2.gz LIRSEUZUPZMGIH-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1nc(-c2ccccc2Cl)no1 ZINC000466674477 1121530973 /nfs/dbraw/zinc/53/09/73/1121530973.db2.gz XXAIXUKCSQCWCX-GHMZBOCLSA-N 0 1 291.782 3.763 20 0 CHADMN CC(C)C[C@H]1CCCCN1Cc1cn2ccsc2n1 ZINC000466676720 1121532443 /nfs/dbraw/zinc/53/24/43/1121532443.db2.gz HGTDCIGXOQKOHM-CQSZACIVSA-N 0 1 277.437 3.796 20 0 CHADMN O=C([O-])C[N@@H+](Cc1cccc(Cl)c1)C1CCCCC1 ZINC000032128129 1121533620 /nfs/dbraw/zinc/53/36/20/1121533620.db2.gz CFVKUNGFXYCTRK-UHFFFAOYSA-N 0 1 281.783 3.559 20 0 CHADMN Fc1cccc(F)c1CN1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001176089041 1121535788 /nfs/dbraw/zinc/53/57/88/1121535788.db2.gz XLIQDAUPVBSWIQ-KDOFPFPSSA-N 0 1 285.337 3.738 20 0 CHADMN CCOC(=O)c1sc([C@H](C)NCCCC(C)C)nc1C ZINC000429349407 1121535905 /nfs/dbraw/zinc/53/59/05/1121535905.db2.gz LRSGCMFLMBNNTF-LBPRGKRZSA-N 0 1 298.452 3.715 20 0 CHADMN CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2ncc[nH]2)c1 ZINC001176090354 1121536641 /nfs/dbraw/zinc/53/66/41/1121536641.db2.gz CPFUYDIMLSCWFW-UHFFFAOYSA-N 0 1 292.314 3.639 20 0 CHADMN Clc1cc(NCc2cnc[nH]2)ccc1OC1CCCC1 ZINC000894108839 1121540767 /nfs/dbraw/zinc/54/07/67/1121540767.db2.gz XGSXDDLCMBSKEQ-UHFFFAOYSA-N 0 1 291.782 3.997 20 0 CHADMN CCCc1csc(CN(C)[C@@H]2CC[C@H](C)C2)n1 ZINC000433059674 1121541135 /nfs/dbraw/zinc/54/11/35/1121541135.db2.gz USINZPFMJSXMMF-WCQYABFASA-N 0 1 252.427 3.716 20 0 CHADMN CC(C)n1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)n1 ZINC000433063793 1121543053 /nfs/dbraw/zinc/54/30/53/1121543053.db2.gz UTLYMDJNCICOPE-QGZVFWFLSA-N 0 1 283.419 3.844 20 0 CHADMN CC(C)n1ccc(CN2CCC[C@@H](c3ccccc3)C2)n1 ZINC000433063793 1121543059 /nfs/dbraw/zinc/54/30/59/1121543059.db2.gz UTLYMDJNCICOPE-QGZVFWFLSA-N 0 1 283.419 3.844 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H]1CC2CCC1CC2 ZINC000923230450 1121543109 /nfs/dbraw/zinc/54/31/09/1121543109.db2.gz KBFHETQSOCIJAS-OARYSHLNSA-N 0 1 291.435 3.530 20 0 CHADMN Cc1ccoc1C[N@@H+](C)CCSCc1ccccc1 ZINC000429361926 1121544063 /nfs/dbraw/zinc/54/40/63/1121544063.db2.gz LMJIVOKNSWQXRB-UHFFFAOYSA-N 0 1 275.417 3.953 20 0 CHADMN Cc1ccoc1CN(C)CCSCc1ccccc1 ZINC000429361926 1121544068 /nfs/dbraw/zinc/54/40/68/1121544068.db2.gz LMJIVOKNSWQXRB-UHFFFAOYSA-N 0 1 275.417 3.953 20 0 CHADMN Cc1ncc([C@H](C)NCc2cnc(-c3ccccc3)[nH]2)s1 ZINC000631224171 1128992677 /nfs/dbraw/zinc/99/26/77/1128992677.db2.gz OXROCTHGEDIVCK-NSHDSACASA-N 0 1 298.415 3.692 20 0 CHADMN c1cn2cc(CN3CCC[C@@H](c4ccccc4)C3)nc2s1 ZINC000433066368 1121547716 /nfs/dbraw/zinc/54/77/16/1121547716.db2.gz JCGHIFCFTWTXMN-OAHLLOKOSA-N 0 1 297.427 3.775 20 0 CHADMN Fc1cc(Cl)cc(Cl)c1N=C1CCOCC1 ZINC001176145898 1121549762 /nfs/dbraw/zinc/54/97/62/1121549762.db2.gz LSQYVGCIDOKLIJ-UHFFFAOYSA-N 0 1 262.111 3.849 20 0 CHADMN Fc1cccc([C@@H]2C[C@H]2N2CCC(C(F)(F)F)CC2)c1 ZINC000411292666 1121555733 /nfs/dbraw/zinc/55/57/33/1121555733.db2.gz FPHRXYCRIXKYHN-UONOGXRCSA-N 0 1 287.300 3.956 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H]2CCc3ccc(C)cc32)c1 ZINC000925373491 1121556465 /nfs/dbraw/zinc/55/64/65/1121556465.db2.gz DZYSGUBRSIQFDO-SUMWQHHRSA-N 0 1 282.387 3.737 20 0 CHADMN CCC(C)(C)CCOc1ccccc1-c1nnc[nH]1 ZINC000663990961 1121562853 /nfs/dbraw/zinc/56/28/53/1121562853.db2.gz ZNPYLIMPNPLFHZ-UHFFFAOYSA-N 0 1 259.353 3.677 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1cc(F)ccc1Cl ZINC000433093165 1121565545 /nfs/dbraw/zinc/56/55/45/1121565545.db2.gz ZRFPBSZWPLGPCY-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN CC[C@H](C)CN(C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000509392924 1121567663 /nfs/dbraw/zinc/56/76/63/1121567663.db2.gz MUWZPKLVAJGCMT-NWDGAFQWSA-N 0 1 266.454 3.746 20 0 CHADMN CC(C)Oc1ccc(Nc2cncn2C)c(Cl)c1 ZINC001176157598 1121571291 /nfs/dbraw/zinc/57/12/91/1121571291.db2.gz RKXUHJAIORSQJK-UHFFFAOYSA-N 0 1 265.744 3.604 20 0 CHADMN CC(C)[C@H](NCc1nccn1C1CC1)c1ccccc1 ZINC000711803921 1121577627 /nfs/dbraw/zinc/57/76/27/1121577627.db2.gz WVBLNDQYMQJQTJ-KRWDZBQOSA-N 0 1 269.392 3.705 20 0 CHADMN COc1cccc2c1CN(CCCc1ccccc1OC)C2 ZINC000626023177 1121581440 /nfs/dbraw/zinc/58/14/40/1121581440.db2.gz ZTDMHXBQESLKAZ-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN Cc1cc(CN2CCc3c(O)cccc3C2)c(C)s1 ZINC000626026388 1121582653 /nfs/dbraw/zinc/58/26/53/1121582653.db2.gz ISQFUJARJPFGKW-UHFFFAOYSA-N 0 1 273.401 3.629 20 0 CHADMN [O-]c1cccc(C[NH2+][C@H]2C[C@@H]2Cc2ccccc2)c1Cl ZINC000645157385 1121583149 /nfs/dbraw/zinc/58/31/49/1121583149.db2.gz WDBBZHIJHKKZLQ-GJZGRUSLSA-N 0 1 287.790 3.766 20 0 CHADMN Cc1nc([C@H](C)N2CC=C(c3cc(C)cc(C)c3)CC2)n[nH]1 ZINC000411421717 1121584515 /nfs/dbraw/zinc/58/45/15/1121584515.db2.gz BOJCJMHDMKSKNA-AWEZNQCLSA-N 0 1 296.418 3.580 20 0 CHADMN CCOC(=O)C1(C)CCN(Cc2ccc(Cl)cc2)CC1 ZINC000092825279 1121584606 /nfs/dbraw/zinc/58/46/06/1121584606.db2.gz GUGUWDPCCVGKDI-UHFFFAOYSA-N 0 1 295.810 3.505 20 0 CHADMN COc1cccc([C@H](C)N2CCc3c(O)cccc3C2)c1 ZINC000626027229 1121585110 /nfs/dbraw/zinc/58/51/10/1121585110.db2.gz PDYSEIJRYILRGS-ZDUSSCGKSA-N 0 1 283.371 3.520 20 0 CHADMN CC[C@@H](NCc1csc(C(=O)OC)c1)c1ccccc1 ZINC000411451265 1121589551 /nfs/dbraw/zinc/58/95/51/1121589551.db2.gz FPGPMGICYHEJRX-CQSZACIVSA-N 0 1 289.400 3.776 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000466740148 1121590504 /nfs/dbraw/zinc/59/05/04/1121590504.db2.gz XBNSICJRHHGEQJ-XWIAVFTESA-N 0 1 267.372 3.764 20 0 CHADMN C[C@@H](N[C@@H](CO)CC(F)F)c1ccc(Cl)cc1Cl ZINC000429460075 1121591238 /nfs/dbraw/zinc/59/12/38/1121591238.db2.gz ZPQJUAOIZPAMII-VXNVDRBHSA-N 0 1 298.160 3.660 20 0 CHADMN CC(=CC(=O)N[C@@H](C)c1nc2ccccc2[nH]1)C(C)(C)C ZINC000074235746 1121592252 /nfs/dbraw/zinc/59/22/52/1121592252.db2.gz DQEOUIVIFADHHJ-WEHUKYGOSA-N 0 1 285.391 3.733 20 0 CHADMN C[C@@H](N[C@@H](CO)CC(F)F)c1cc(Cl)ccc1Cl ZINC000429466702 1121593710 /nfs/dbraw/zinc/59/37/10/1121593710.db2.gz NAWZSRFQSYFGAM-VXNVDRBHSA-N 0 1 298.160 3.660 20 0 CHADMN COC[C@H](C)N(C)Cc1ccc(-c2ccccc2)cc1OC ZINC000512784672 1121595492 /nfs/dbraw/zinc/59/54/92/1121595492.db2.gz VTQQJRKLNVDPMN-HNNXBMFYSA-N 0 1 299.414 3.829 20 0 CHADMN CC(C)C1CCC(N(C)Cc2nc(C3CC3)no2)CC1 ZINC000433154366 1121596704 /nfs/dbraw/zinc/59/67/04/1121596704.db2.gz STZVSQUDMUPPPV-UHFFFAOYSA-N 0 1 277.412 3.594 20 0 CHADMN C[C@H](COCC1CCCCC1)NCc1ccncc1Cl ZINC001176336657 1121599615 /nfs/dbraw/zinc/59/96/15/1121599615.db2.gz TYKWJVVKZOTUHE-CYBMUJFWSA-N 0 1 296.842 3.810 20 0 CHADMN CCc1ccccc1C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000135042552 1121604438 /nfs/dbraw/zinc/60/44/38/1121604438.db2.gz WOAHKSXYLBULBQ-MRXNPFEDSA-N 0 1 289.419 3.572 20 0 CHADMN COc1cc2c(cc1CNCc1cccc(C)c1)O[C@H](C)C2 ZINC000074230373 1121604513 /nfs/dbraw/zinc/60/45/13/1121604513.db2.gz AUOJEBCBYASUDF-CQSZACIVSA-N 0 1 297.398 3.617 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CC(c1ccccc1)c1ccccc1 ZINC000318901958 1121606149 /nfs/dbraw/zinc/60/61/49/1121606149.db2.gz JXRQEYXMCGBRGM-SFHVURJKSA-N 0 1 297.398 3.614 20 0 CHADMN COc1c(Cl)cc(Nc2ccncc2)cc1Cl ZINC001176307892 1121606146 /nfs/dbraw/zinc/60/61/46/1121606146.db2.gz QMGQLSVTBWLAFV-UHFFFAOYSA-N 0 1 269.131 3.563 20 0 CHADMN Cc1nc2c(n1CCCOCCc1ccccc1)CCCC2 ZINC000664048073 1121608297 /nfs/dbraw/zinc/60/82/97/1121608297.db2.gz DAJYTALEHCDKEO-UHFFFAOYSA-N 0 1 298.430 3.720 20 0 CHADMN CCCCOc1ccc(CN[C@H]2CCCn3nccc32)cc1 ZINC000631300202 1128997420 /nfs/dbraw/zinc/99/74/20/1128997420.db2.gz BIJOZFRTZNMHIC-KRWDZBQOSA-N 0 1 299.418 3.687 20 0 CHADMN Cc1nnc([C@@H](C)N2CCCC3(CCCCC3)CC2)[nH]1 ZINC000411624808 1121614166 /nfs/dbraw/zinc/61/41/66/1121614166.db2.gz YUZJDBANEGYGTN-CYBMUJFWSA-N 0 1 276.428 3.611 20 0 CHADMN CCOc1ccc(CNCc2scnc2C2CC2)cc1 ZINC000486966524 1121615763 /nfs/dbraw/zinc/61/57/63/1121615763.db2.gz LTGHMRIDAYFQRS-UHFFFAOYSA-N 0 1 288.416 3.709 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1scnc1C1CC1 ZINC000486943559 1121616346 /nfs/dbraw/zinc/61/63/46/1121616346.db2.gz VMEGMTUSQNKZDR-LLVKDONJSA-N 0 1 288.416 3.880 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1scnc1C1CC1 ZINC000486961467 1121616422 /nfs/dbraw/zinc/61/64/22/1121616422.db2.gz CEFZANSYUGJSIM-CQSZACIVSA-N 0 1 288.391 3.937 20 0 CHADMN Cc1cc2ccccc2c(N(C)CC(F)(F)F)n1 ZINC001163709732 1121629356 /nfs/dbraw/zinc/62/93/56/1121629356.db2.gz IQHLJBCDBBIVON-UHFFFAOYSA-N 0 1 254.255 3.542 20 0 CHADMN CCN1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000433282171 1121634291 /nfs/dbraw/zinc/63/42/91/1121634291.db2.gz AGXTYURWIKLNER-ZDUSSCGKSA-N 0 1 287.325 3.877 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1nccc2c1CCCC2 ZINC000894141896 1121654620 /nfs/dbraw/zinc/65/46/20/1121654620.db2.gz JSNMXIDRWQIKPX-FZMZJTMJSA-N 0 1 298.352 3.733 20 0 CHADMN Cc1cc(C)cc([C@@H]2CCN(Cc3nnc(C4CC4)o3)C2)c1 ZINC000544185703 1121659738 /nfs/dbraw/zinc/65/97/38/1121659738.db2.gz HRMGHOSVOYLPAM-OAHLLOKOSA-N 0 1 297.402 3.553 20 0 CHADMN Cc1cc(-c2nnc(CN(C)[C@@H](C)C3(C)CC3)o2)c(C)o1 ZINC000162226399 1121662225 /nfs/dbraw/zinc/66/22/25/1121662225.db2.gz IJLUBNGNYHSQPR-LBPRGKRZSA-N 0 1 289.379 3.567 20 0 CHADMN Cc1ncn(C)c1Nc1cc(Cl)ccc1OC(C)C ZINC001176642587 1121667599 /nfs/dbraw/zinc/66/75/99/1121667599.db2.gz FLWQEHTXINBLPI-UHFFFAOYSA-N 0 1 279.771 3.913 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1scnc1C1CC1 ZINC000494962067 1121674587 /nfs/dbraw/zinc/67/45/87/1121674587.db2.gz UEKCSNAAYLLLIA-GFCCVEGCSA-N 0 1 284.428 3.967 20 0 CHADMN CO[C@@H](CN[C@@H](c1ccco1)c1ccccc1)C(C)C ZINC000273399726 1121675206 /nfs/dbraw/zinc/67/52/06/1121675206.db2.gz UJUIWILMNVMNDP-DLBZAZTESA-N 0 1 273.376 3.630 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)N(Cc2cn3ccsc3n2)C1 ZINC000513262103 1121676500 /nfs/dbraw/zinc/67/65/00/1121676500.db2.gz QWBSRYNQMLUCCR-CZUORRHYSA-N 0 1 297.427 3.979 20 0 CHADMN COC(=O)c1ccoc1CN1CCC[C@@H]1c1ccccc1C ZINC000052212511 1121679843 /nfs/dbraw/zinc/67/98/43/1121679843.db2.gz NIHYWRVVBPVQII-MRXNPFEDSA-N 0 1 299.370 3.712 20 0 CHADMN CCC1CCN([C@H](C)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000052280039 1121681933 /nfs/dbraw/zinc/68/19/33/1121681933.db2.gz NKXIEVVZBAXHOE-OAHLLOKOSA-N 0 1 288.435 3.752 20 0 CHADMN Cc1cc(Nc2ccc(Cl)cc2)n(-c2ccncc2)n1 ZINC001176726758 1121682479 /nfs/dbraw/zinc/68/24/79/1121682479.db2.gz UMDMVYLIUWOMME-UHFFFAOYSA-N 0 1 284.750 3.973 20 0 CHADMN CCC1CCN([C@@H](C)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000052280038 1121682920 /nfs/dbraw/zinc/68/29/20/1121682920.db2.gz NKXIEVVZBAXHOE-HNNXBMFYSA-N 0 1 288.435 3.752 20 0 CHADMN O=C(NOc1ccccc1F)C1(CCc2ccccc2)CC1 ZINC001177114386 1121713515 /nfs/dbraw/zinc/71/35/15/1121713515.db2.gz WVYGUZQYMNCIGF-UHFFFAOYSA-N 0 1 299.345 3.649 20 0 CHADMN Cc1cc(OCc2coc(-c3ccccc3)n2)cc(C)n1 ZINC000152800242 1129004177 /nfs/dbraw/zinc/00/41/77/1129004177.db2.gz YJPMPDVUKMTACW-UHFFFAOYSA-N 0 1 280.327 3.932 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)cc1 ZINC001177171480 1121715008 /nfs/dbraw/zinc/71/50/08/1121715008.db2.gz OXRNVHZHOIOASY-TZMCWYRMSA-N 0 1 297.402 3.667 20 0 CHADMN Cc1ccc(CNCc2ccc(F)c(C)c2)c(F)c1 ZINC001177162728 1121716508 /nfs/dbraw/zinc/71/65/08/1121716508.db2.gz PWPJKLWBSWAIOX-UHFFFAOYSA-N 0 1 261.315 3.871 20 0 CHADMN CCCC(C)=CC(=O)N[C@H](CC)c1nc2ccccc2[nH]1 ZINC000727342236 1121716605 /nfs/dbraw/zinc/71/66/05/1121716605.db2.gz XYYWQKQTFNXOGT-XZHRJIJLSA-N 0 1 285.391 3.877 20 0 CHADMN FC(F)(F)COCc1ccc(CNCc2ccoc2)cc1 ZINC000727466482 1121720338 /nfs/dbraw/zinc/72/03/38/1121720338.db2.gz VFFACHGATZALEE-UHFFFAOYSA-N 0 1 299.292 3.648 20 0 CHADMN c1cc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)co1 ZINC000727471135 1121722507 /nfs/dbraw/zinc/72/25/07/1121722507.db2.gz YSCLBJXMHYNHHD-UHFFFAOYSA-N 0 1 299.370 3.610 20 0 CHADMN CC(C)c1ncc(CNCc2ccc(F)c(F)c2)s1 ZINC001177487706 1121732629 /nfs/dbraw/zinc/73/26/29/1121732629.db2.gz KZMWWIZMSCSRIO-UHFFFAOYSA-N 0 1 282.359 3.835 20 0 CHADMN CC(C)c1cnc(NC(=O)c2[nH]cnc2C(C)(C)C)s1 ZINC000631548636 1129006513 /nfs/dbraw/zinc/00/65/13/1129006513.db2.gz RXIHPYYTZJMNGB-UHFFFAOYSA-N 0 1 292.408 3.539 20 0 CHADMN CC(C)n1cc(CN[C@@H]2CCc3c2cccc3Cl)cn1 ZINC001177645937 1121744070 /nfs/dbraw/zinc/74/40/70/1121744070.db2.gz BOQWXSFWHQBRQJ-MRXNPFEDSA-N 0 1 289.810 3.895 20 0 CHADMN CN1Cc2ccccc2[C@H](Nc2ccc3ccccc3n2)C1 ZINC000533818830 1121744633 /nfs/dbraw/zinc/74/46/33/1121744633.db2.gz IDTZCYBRVQLAGA-GOSISDBHSA-N 0 1 289.382 3.833 20 0 CHADMN CN1Cc2ccccc2[C@@H](Nc2ccc3ccccc3n2)C1 ZINC000533818831 1121744704 /nfs/dbraw/zinc/74/47/04/1121744704.db2.gz IDTZCYBRVQLAGA-SFHVURJKSA-N 0 1 289.382 3.833 20 0 CHADMN Cc1cccc(F)c1CNCc1ccc2c(c1)C[C@@H](C)O2 ZINC001177929222 1121757603 /nfs/dbraw/zinc/75/76/03/1121757603.db2.gz UAYIHLQIYOWXOL-CYBMUJFWSA-N 0 1 285.362 3.747 20 0 CHADMN Cc1cnc(CN2C[C@H](C)C[C@H]2c2ccccc2)o1 ZINC000285580481 1121762622 /nfs/dbraw/zinc/76/26/22/1121762622.db2.gz IDYDTIZRSDRTJW-DOMZBBRYSA-N 0 1 256.349 3.566 20 0 CHADMN Cc1nc(CN2C[C@@H](C)C[C@H]2c2ccccc2)oc1C ZINC000285725239 1121763732 /nfs/dbraw/zinc/76/37/32/1121763732.db2.gz PPRLVXPBSWCOJK-LRDDRELGSA-N 0 1 270.376 3.875 20 0 CHADMN C[C@H]1CCN(CCSC2CCCCC2)C[C@@H]1F ZINC000619720650 1129007736 /nfs/dbraw/zinc/00/77/36/1129007736.db2.gz OEEQIWCHVRTMLI-JSGCOSHPSA-N 0 1 259.434 3.732 20 0 CHADMN COc1cccc2c1OCCC[C@@H]2NCc1ccsc1 ZINC000631568911 1129007836 /nfs/dbraw/zinc/00/78/36/1129007836.db2.gz IPDWTTXDPILVBH-AWEZNQCLSA-N 0 1 289.400 3.760 20 0 CHADMN c1csc(CCN(Cc2cc[nH]n2)Cc2ccccc2)c1 ZINC000729265541 1121768852 /nfs/dbraw/zinc/76/88/52/1121768852.db2.gz HBGWEFFCQHIJMZ-UHFFFAOYSA-N 0 1 297.427 3.716 20 0 CHADMN Cc1cccc(CONC(=O)C(C)(C)c2ccccc2)c1 ZINC000729264140 1121768870 /nfs/dbraw/zinc/76/88/70/1121768870.db2.gz YVCMARWLHMZPPQ-UHFFFAOYSA-N 0 1 283.371 3.521 20 0 CHADMN Fc1ccc(CN[C@H]2CCCc3ncccc32)cc1F ZINC000631572228 1129007981 /nfs/dbraw/zinc/00/79/81/1129007981.db2.gz KVXGCSGRHDUSLN-INIZCTEOSA-N 0 1 274.314 3.527 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](N[C@@H](C)c1ncc[nH]1)CC2 ZINC000287311625 1121770035 /nfs/dbraw/zinc/77/00/35/1121770035.db2.gz FABZJZKEHDJMPO-LRDDRELGSA-N 0 1 269.392 3.871 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@H]1CCc2c1cccc2C ZINC000168168724 1121770544 /nfs/dbraw/zinc/77/05/44/1121770544.db2.gz BCBSJHQWOZCQQV-BZNIZROVSA-N 0 1 270.376 3.938 20 0 CHADMN Cc1cc2cc([C@@H](C)NCc3cncn3C)oc2cc1C ZINC000289572062 1121771869 /nfs/dbraw/zinc/77/18/69/1121771869.db2.gz AYKCFVAPNWZCMR-CYBMUJFWSA-N 0 1 283.375 3.634 20 0 CHADMN C[C@@H]1C[C@@H](C)N1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878533282 1121789829 /nfs/dbraw/zinc/78/98/29/1121789829.db2.gz MSEHEQWQKUFQPP-KKFJDGPESA-N 0 1 274.191 3.510 20 0 CHADMN CC(C)[C@H](C(=O)Nc1ccc(-c2ccccc2)cc1)N(C)C ZINC000730088290 1121792358 /nfs/dbraw/zinc/79/23/58/1121792358.db2.gz BACRAHXHKBXYFX-GOSISDBHSA-N 0 1 296.414 3.878 20 0 CHADMN Cc1nnc(CN[C@H]2C[C@H](c3cccc(Cl)c3)C2)s1 ZINC000894216449 1121794015 /nfs/dbraw/zinc/79/40/15/1121794015.db2.gz CBTVSGHZNGTKOM-AULYBMBSSA-N 0 1 293.823 3.536 20 0 CHADMN Cc1cc(Cl)nc(CNC/C=C\c2cccc(F)c2)c1 ZINC001178550179 1121795660 /nfs/dbraw/zinc/79/56/60/1121795660.db2.gz YEANYKSKXHDGMS-HYXAFXHYSA-N 0 1 290.769 3.986 20 0 CHADMN C[N@@H+](Cc1ccco1)Cc1ccc2c(c1)CCCC2 ZINC000430013460 1121796288 /nfs/dbraw/zinc/79/62/88/1121796288.db2.gz QCOLMMAVQQQCNA-UHFFFAOYSA-N 0 1 255.361 3.790 20 0 CHADMN CN(Cc1ccco1)Cc1ccc2c(c1)CCCC2 ZINC000430013460 1121796295 /nfs/dbraw/zinc/79/62/95/1121796295.db2.gz QCOLMMAVQQQCNA-UHFFFAOYSA-N 0 1 255.361 3.790 20 0 CHADMN Cc1ccoc1C[N@H+](C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000430140458 1121796630 /nfs/dbraw/zinc/79/66/30/1121796630.db2.gz UFXCTHARBKWVHH-UHFFFAOYSA-N 0 1 295.386 3.919 20 0 CHADMN Cc1ccoc1CN(C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000430140458 1121796634 /nfs/dbraw/zinc/79/66/34/1121796634.db2.gz UFXCTHARBKWVHH-UHFFFAOYSA-N 0 1 295.386 3.919 20 0 CHADMN CCn1ccc(CN[C@H](c2ccc(F)cc2)C(C)C)n1 ZINC001178571354 1121798225 /nfs/dbraw/zinc/79/82/25/1121798225.db2.gz OWMIXJWEELXZBU-INIZCTEOSA-N 0 1 275.371 3.529 20 0 CHADMN CC(C)CCN(C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000175111348 1121798287 /nfs/dbraw/zinc/79/82/87/1121798287.db2.gz LCONVSWCEZQFBV-UHFFFAOYSA-N 0 1 276.355 3.959 20 0 CHADMN Cc1cscc1CNCc1ccc(Br)nc1 ZINC001178615672 1121800190 /nfs/dbraw/zinc/80/01/90/1121800190.db2.gz WWSXFJOUNYHSOA-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN Cc1ccc2c(c1C)OC[C@@H]2N[C@H]1CCCc2ncccc21 ZINC000631593472 1129011716 /nfs/dbraw/zinc/01/17/16/1129011716.db2.gz IIJAIFXFBQYSTN-ROUUACIJSA-N 0 1 294.398 3.799 20 0 CHADMN Cc1ccc2ccccc2c1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178689920 1121806550 /nfs/dbraw/zinc/80/65/50/1121806550.db2.gz FIERAERTLOXLSW-MRXNPFEDSA-N 0 1 282.387 3.571 20 0 CHADMN Cc1ccc2ccccc2c1NC(=O)[C@H]1CCCCN1C ZINC001178689920 1121806556 /nfs/dbraw/zinc/80/65/56/1121806556.db2.gz FIERAERTLOXLSW-MRXNPFEDSA-N 0 1 282.387 3.571 20 0 CHADMN CCOc1cc(C)ccc1CN[C@@H]1CCCc2ncccc21 ZINC000631591691 1129010551 /nfs/dbraw/zinc/01/05/51/1129010551.db2.gz XUMSLQDYIZCQGV-GOSISDBHSA-N 0 1 296.414 3.956 20 0 CHADMN CO[C@@H]1CCN([C@H](C)c2cccc(Cl)c2F)C[C@@H]1C ZINC000451575153 1121825563 /nfs/dbraw/zinc/82/55/63/1121825563.db2.gz SDGOUBXTNQQQBZ-MISXGVKJSA-N 0 1 285.790 3.897 20 0 CHADMN CC[C@](C)(NCc1nn(C)c2ccccc12)c1ccccc1 ZINC000730816842 1121829314 /nfs/dbraw/zinc/82/93/14/1121829314.db2.gz AHIZHOVCDILOQB-IBGZPJMESA-N 0 1 293.414 3.988 20 0 CHADMN Cc1ccc(CNCc2cccc3ccoc32)nc1C ZINC001178922496 1121831825 /nfs/dbraw/zinc/83/18/25/1121831825.db2.gz YOYPLBYNGHUNKD-UHFFFAOYSA-N 0 1 266.344 3.734 20 0 CHADMN COc1cccc(C2(N[C@H]3CCCc4ncccc43)CC2)c1 ZINC000631609509 1129013394 /nfs/dbraw/zinc/01/33/94/1129013394.db2.gz XEKCFQMZZXOBEO-SFHVURJKSA-N 0 1 294.398 3.747 20 0 CHADMN Fc1ccccc1C1(N[C@@H]2CCCc3ncccc32)CC1 ZINC000631609565 1129013645 /nfs/dbraw/zinc/01/36/45/1129013645.db2.gz YNXUGTZDIVEYIX-QGZVFWFLSA-N 0 1 282.362 3.877 20 0 CHADMN CCc1ccccc1C(=O)N1CCCC[C@H]1c1cc(C)[nH]n1 ZINC001179152884 1121854268 /nfs/dbraw/zinc/85/42/68/1121854268.db2.gz YYXGFDHLLZQYBR-KRWDZBQOSA-N 0 1 297.402 3.648 20 0 CHADMN Cc1cc([C@H]2CCCCN2C(=O)/C=C\C2CCCC2)n[nH]1 ZINC001179158841 1121856764 /nfs/dbraw/zinc/85/67/64/1121856764.db2.gz CRHTYDZQUVXUEJ-ZBTGYSDGSA-N 0 1 287.407 3.518 20 0 CHADMN CCc1ccc(CNCc2cc(C)cc(Cl)n2)cc1 ZINC000282150332 1129014566 /nfs/dbraw/zinc/01/45/66/1129014566.db2.gz WXCJNXYSOXWTTM-UHFFFAOYSA-N 0 1 274.795 3.896 20 0 CHADMN CC(C)(F)CNCc1ccc(F)c(C(F)(F)F)c1 ZINC001179315753 1121872083 /nfs/dbraw/zinc/87/20/83/1121872083.db2.gz NUMINVQRROBNRF-UHFFFAOYSA-N 0 1 267.241 3.682 20 0 CHADMN CC1(C)CCc2cc(CNCc3ccco3)ccc2O1 ZINC000731675360 1121879438 /nfs/dbraw/zinc/87/94/38/1121879438.db2.gz RKQLIKZLLMLHHW-UHFFFAOYSA-N 0 1 271.360 3.673 20 0 CHADMN Cc1occc1CNCc1ccc2c(c1)CCC(C)(C)O2 ZINC000731677714 1121880549 /nfs/dbraw/zinc/88/05/49/1121880549.db2.gz YOUFYZWAABPIAC-UHFFFAOYSA-N 0 1 285.387 3.981 20 0 CHADMN Oc1ccc(Cl)c(CNC/C=C/c2ccc(F)cc2)c1 ZINC001179457230 1121881352 /nfs/dbraw/zinc/88/13/52/1121881352.db2.gz DFKZLXRDYFXDLJ-OWOJBTEDSA-N 0 1 291.753 3.988 20 0 CHADMN CC[C@H](N[C@H](C)c1snnc1C)c1ccc(OC)cc1 ZINC001119767930 1121882018 /nfs/dbraw/zinc/88/20/18/1121882018.db2.gz BVGFJYURKWOLSQ-YGRLFVJLSA-N 0 1 291.420 3.657 20 0 CHADMN CCC[C@@H](O)CCNCc1cc(Cl)sc1Cl ZINC001179702128 1121902512 /nfs/dbraw/zinc/90/25/12/1121902512.db2.gz XYPBWLHAVSCARE-SECBINFHSA-N 0 1 282.236 3.696 20 0 CHADMN Cc1ccc(Cl)cc1CNCc1ccncc1Cl ZINC001179728108 1121904060 /nfs/dbraw/zinc/90/40/60/1121904060.db2.gz BOUKFTQMZAHGQE-UHFFFAOYSA-N 0 1 281.186 3.987 20 0 CHADMN Cc1c[nH]c(=O)c(CNCc2ccc(Cl)c(Cl)c2)c1 ZINC001179735306 1121904878 /nfs/dbraw/zinc/90/48/78/1121904878.db2.gz YQZGRJIPJBZPJN-UHFFFAOYSA-N 0 1 297.185 3.692 20 0 CHADMN C[C@@H]1CC(C)(C)C[C@H]1NCc1nc(C(C)(C)C)co1 ZINC001179764396 1121909848 /nfs/dbraw/zinc/90/98/48/1121909848.db2.gz SYUPVOHKWUXNDK-VXGBXAGGSA-N 0 1 264.413 3.886 20 0 CHADMN c1coc([C@H]2CCN(Cn3ccc(-c4cccs4)n3)C2)c1 ZINC000732182404 1121911202 /nfs/dbraw/zinc/91/12/02/1121911202.db2.gz SNFIWJPEODKNJT-ZDUSSCGKSA-N 0 1 299.399 3.652 20 0 CHADMN CC(C)(F)CN[C@@H]1CCSc2ccc(F)cc21 ZINC000631658521 1129017979 /nfs/dbraw/zinc/01/79/79/1129017979.db2.gz LIJUBRGMQWQKMQ-LLVKDONJSA-N 0 1 257.349 3.700 20 0 CHADMN CC/C=C(/C)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732545250 1121925166 /nfs/dbraw/zinc/92/51/66/1121925166.db2.gz XMKOOPRKFQRWIX-HYHWUIIZSA-N 0 1 291.782 3.750 20 0 CHADMN CCCCC(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732540145 1121926887 /nfs/dbraw/zinc/92/68/87/1121926887.db2.gz BPYZEMOWMHMTDI-VIFPVBQESA-N 0 1 279.771 3.584 20 0 CHADMN CC[C@]1(C)CCCN(Cc2cc(OC)c(OC)cc2F)C1 ZINC001179955932 1121934038 /nfs/dbraw/zinc/93/40/38/1121934038.db2.gz BQCFSVIPDIBUDS-QGZVFWFLSA-N 0 1 295.398 3.855 20 0 CHADMN Cc1ccc([C@H]2COCCN2C[C@H]2C(C)=CCC[C@@H]2C)o1 ZINC001179956184 1121935648 /nfs/dbraw/zinc/93/56/48/1121935648.db2.gz CVVHRCGFYBUPOI-BHYGNILZSA-N 0 1 289.419 3.954 20 0 CHADMN CCN(C(=O)c1cn[nH]c1C)c1ccc2ccccc2c1 ZINC000732754902 1121939572 /nfs/dbraw/zinc/93/95/72/1121939572.db2.gz KQSAVJLDKQPSOH-UHFFFAOYSA-N 0 1 279.343 3.538 20 0 CHADMN COc1cc2ccccc2cc1CN1C[C@H](C)OC(C)(C)C1 ZINC001180039297 1121942154 /nfs/dbraw/zinc/94/21/54/1121942154.db2.gz RIKYHOIXUXHZNO-AWEZNQCLSA-N 0 1 299.414 3.848 20 0 CHADMN COc1nsc(CN2CCC[C@@H]2C2CCC2)c1Cl ZINC001180086418 1121948415 /nfs/dbraw/zinc/94/84/15/1121948415.db2.gz HXDLNYUWSROFPQ-SNVBAGLBSA-N 0 1 286.828 3.570 20 0 CHADMN Fc1ccc([C@H]2CCCN2C[C@@H]2CCCCO2)cc1F ZINC000732989951 1121950343 /nfs/dbraw/zinc/95/03/43/1121950343.db2.gz XZXXYMQJJAUDMB-XJKSGUPXSA-N 0 1 281.346 3.671 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1nnn(-c2ccccc2)c1C1CC1 ZINC001180108526 1121953347 /nfs/dbraw/zinc/95/33/47/1121953347.db2.gz SDDQTGYYZQTZAE-ZIAGYGMSSA-N 0 1 296.418 3.518 20 0 CHADMN CCn1cc(CN2CCCCC[C@@H]2c2cccc(C)c2)nn1 ZINC001180208712 1121961807 /nfs/dbraw/zinc/96/18/07/1121961807.db2.gz PIRZPLRHKSNLGW-GOSISDBHSA-N 0 1 298.434 3.724 20 0 CHADMN C[C@@H]1N(Cc2ccc(C3CC3)cc2)CCOC1(C)C ZINC001180203644 1121962138 /nfs/dbraw/zinc/96/21/38/1121962138.db2.gz WRAWCOXWMQSVMG-ZDUSSCGKSA-N 0 1 259.393 3.563 20 0 CHADMN Cc1ccc(C)c([C@H](C)N[C@@H](C)c2cnccn2)c1 ZINC000070478817 1121969709 /nfs/dbraw/zinc/96/97/09/1121969709.db2.gz XAMKWMWVWHUOJR-KBPBESRZSA-N 0 1 255.365 3.505 20 0 CHADMN CN(CCc1ccccc1F)Cc1cnc(Cl)s1 ZINC000079321826 1129021674 /nfs/dbraw/zinc/02/16/74/1129021674.db2.gz AFPWVGZXFLITLV-UHFFFAOYSA-N 0 1 284.787 3.610 20 0 CHADMN CO[C@@H](CN[C@H](C)c1ccccc1Cl)C(F)(F)F ZINC000733323554 1121975524 /nfs/dbraw/zinc/97/55/24/1121975524.db2.gz KHNFSZJVYQHLCL-KCJUWKMLSA-N 0 1 281.705 3.568 20 0 CHADMN Cc1occc1CN[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000414434902 1121976465 /nfs/dbraw/zinc/97/64/65/1121976465.db2.gz AENSTORVGSKGOQ-MRXNPFEDSA-N 0 1 292.810 3.634 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cnc(C)s2)cc1O ZINC000631708247 1129022564 /nfs/dbraw/zinc/02/25/64/1129022564.db2.gz NHDBEPKHXWWTHJ-VHSXEESVSA-N 0 1 292.404 3.578 20 0 CHADMN COc1cc(C[N@H+]2CC[C@@H]2C(C)C)cc(C(F)(F)F)c1 ZINC001180326615 1121981686 /nfs/dbraw/zinc/98/16/86/1121981686.db2.gz MXTXVZGTDYBWEG-CQSZACIVSA-N 0 1 287.325 3.944 20 0 CHADMN COc1cc(CN2CC[C@@H]2C(C)C)cc(C(F)(F)F)c1 ZINC001180326615 1121981690 /nfs/dbraw/zinc/98/16/90/1121981690.db2.gz MXTXVZGTDYBWEG-CQSZACIVSA-N 0 1 287.325 3.944 20 0 CHADMN Cc1ncc([C@H](C)N[C@H]2CCCc3cccnc32)s1 ZINC000631708523 1129022637 /nfs/dbraw/zinc/02/26/37/1129022637.db2.gz OXBYRPRCLOXFLM-GWCFXTLKSA-N 0 1 273.405 3.575 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2CCCc3ncccc32)s1 ZINC000631711065 1129023275 /nfs/dbraw/zinc/02/32/75/1129023275.db2.gz ZHYWMUYIIOJFCL-IINYFYTJSA-N 0 1 273.405 3.575 20 0 CHADMN Cc1ccc(Cl)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1Cl ZINC001237331450 1129023820 /nfs/dbraw/zinc/02/38/20/1129023820.db2.gz OPWOUKVWCWDHBD-TXEJJXNPSA-N 0 1 299.245 3.580 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153181699 1129024073 /nfs/dbraw/zinc/02/40/73/1129024073.db2.gz LQSNSQBDSVXOLS-UTUOFQBUSA-N 0 1 289.404 3.591 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000153181699 1129024077 /nfs/dbraw/zinc/02/40/77/1129024077.db2.gz LQSNSQBDSVXOLS-UTUOFQBUSA-N 0 1 289.404 3.591 20 0 CHADMN Cc1nnsc1CN[C@@H](C)c1ccc(C2CCC2)cc1 ZINC000631633106 1121999178 /nfs/dbraw/zinc/99/91/78/1121999178.db2.gz UTXHGMABXNYHAF-NSHDSACASA-N 0 1 287.432 3.965 20 0 CHADMN CCn1nc(C)c(CN[C@H](c2ccccn2)C2CCC2)c1C ZINC000924923559 1122005961 /nfs/dbraw/zinc/00/59/61/1122005961.db2.gz KVHLBJZHVZOLJR-SFHVURJKSA-N 0 1 298.434 3.546 20 0 CHADMN Cc1ncn(C)c1Nc1cc(F)cc(C)c1Cl ZINC001214073549 1122008476 /nfs/dbraw/zinc/00/84/76/1122008476.db2.gz QCOHJUAJBYYARR-UHFFFAOYSA-N 0 1 253.708 3.573 20 0 CHADMN C[C@@H]1CCN(Cc2csc(C(C)(C)C)n2)C[C@@H]1C ZINC000501794818 1122010213 /nfs/dbraw/zinc/01/02/13/1122010213.db2.gz XIUJPAOOFNMRNI-NEPJUHHUSA-N 0 1 266.454 3.919 20 0 CHADMN C[C@@H]1CCN(Cc2csc(-c3ccco3)n2)C[C@@H]1C ZINC000501820368 1122012204 /nfs/dbraw/zinc/01/22/04/1122012204.db2.gz UYHWPMZEPDXLCM-NEPJUHHUSA-N 0 1 276.405 3.881 20 0 CHADMN c1cc2c(cn1)CCN2c1nc(C2CCCCC2)ns1 ZINC000420606248 1122023484 /nfs/dbraw/zinc/02/34/84/1122023484.db2.gz XMMFXLBBGXRNEY-UHFFFAOYSA-N 0 1 286.404 3.675 20 0 CHADMN CC(C)(C)c1ccncc1CN[C@@H]1CCCc2ncccc21 ZINC000631636645 1122037936 /nfs/dbraw/zinc/03/79/36/1122037936.db2.gz KPUDEACKMOEGJC-GOSISDBHSA-N 0 1 295.430 3.941 20 0 CHADMN C(c1nc(C2CCCC2)no1)N1CC[C@@H](C2CCCC2)C1 ZINC000420963382 1122050865 /nfs/dbraw/zinc/05/08/65/1122050865.db2.gz NFLOPJANHQYEEH-OAHLLOKOSA-N 0 1 289.423 3.739 20 0 CHADMN C[C@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C[C@@H](C)C1 ZINC000502207731 1122053886 /nfs/dbraw/zinc/05/38/86/1122053886.db2.gz ZUNVOCSRATYWSJ-KBPBESRZSA-N 0 1 297.402 3.585 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cc(F)cc(F)c1 ZINC000631756110 1129028393 /nfs/dbraw/zinc/02/83/93/1129028393.db2.gz IVXJLPAZAPVDOK-MQOMDTIOSA-N 0 1 265.225 3.566 20 0 CHADMN Cc1ccc([C@@H]2CC[N@@H+](Cc3ncccc3F)C2)c(C)c1 ZINC001181436274 1122056492 /nfs/dbraw/zinc/05/64/92/1122056492.db2.gz OHLHCEIESKFECR-OAHLLOKOSA-N 0 1 284.378 3.827 20 0 CHADMN COc1cc(CN[C@@H](CC(F)F)c2ccccc2)ccn1 ZINC000420995235 1122056878 /nfs/dbraw/zinc/05/68/78/1122056878.db2.gz OHNWDHOFBRVVFV-AWEZNQCLSA-N 0 1 292.329 3.576 20 0 CHADMN Cc1nn(C)cc1CN(C(C)C)[C@@H](C)c1ccsc1 ZINC000421004412 1122059068 /nfs/dbraw/zinc/05/90/68/1122059068.db2.gz IFFICFMLRQEWGI-ZDUSSCGKSA-N 0 1 277.437 3.762 20 0 CHADMN COc1cc(C)ccc1[C@H](C)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631756512 1129028734 /nfs/dbraw/zinc/02/87/34/1129028734.db2.gz MLUDKQXOIBKYOP-MVWJERBFSA-N 0 1 273.298 3.605 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631756353 1129028922 /nfs/dbraw/zinc/02/89/22/1129028922.db2.gz LBPHEVLHDDMCCY-MVWJERBFSA-N 0 1 273.298 3.687 20 0 CHADMN CN(Cc1cccc(C2CC2)c1)Cc1ccccn1 ZINC000421348632 1122097323 /nfs/dbraw/zinc/09/73/23/1122097323.db2.gz WPILLUONBDLTPU-UHFFFAOYSA-N 0 1 252.361 3.591 20 0 CHADMN COc1cnccc1CN1CCC[C@@H]1c1ccc(C)cc1 ZINC001206473314 1122097438 /nfs/dbraw/zinc/09/74/38/1122097438.db2.gz IPXAWCZOEFBVMY-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN C[C@H](N[C@H]1CCCn2nccc21)c1cnc2ccsc2c1 ZINC000631810073 1129031081 /nfs/dbraw/zinc/03/10/81/1129031081.db2.gz WDJCBARUSGPBAW-AAEUAGOBSA-N 0 1 298.415 3.679 20 0 CHADMN COc1cccc(CNCc2cccc(C3CC3)c2)c1OC ZINC000421333099 1122099884 /nfs/dbraw/zinc/09/98/84/1122099884.db2.gz NCHMXYXGVAYNPH-UHFFFAOYSA-N 0 1 297.398 3.871 20 0 CHADMN CCc1cccc(CC)c1NC(=O)[C@H]1CCCCN1CC ZINC001181996204 1122102102 /nfs/dbraw/zinc/10/21/02/1122102102.db2.gz CBXCOCWFUBUOBU-MRXNPFEDSA-N 0 1 288.435 3.624 20 0 CHADMN CCC[C@]1(COC)CCCN1C/C(Cl)=C/Cl ZINC000773966287 1122104422 /nfs/dbraw/zinc/10/44/22/1122104422.db2.gz WOWDSLNFSWQQAD-NXIHDVOMSA-N 0 1 266.212 3.587 20 0 CHADMN Cc1scc(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)c1C ZINC001182034635 1122105346 /nfs/dbraw/zinc/10/53/46/1122105346.db2.gz URUXYRQYJPOOBP-JKSUJKDBSA-N 0 1 277.433 3.508 20 0 CHADMN COc1c(C)cnc(CNc2cc3c(cn2)CCCC3)c1C ZINC001182019696 1122106142 /nfs/dbraw/zinc/10/61/42/1122106142.db2.gz BIOYBXLSGFDBNI-UHFFFAOYSA-N 0 1 297.402 3.593 20 0 CHADMN CNc1ccc(C)cc1CN(C)Cc1occc1C ZINC001182042554 1122106641 /nfs/dbraw/zinc/10/66/41/1122106641.db2.gz AACBQMZLFLUHPS-UHFFFAOYSA-N 0 1 258.365 3.570 20 0 CHADMN c1ccc2c(c1)COC[C@H]2NCc1cccc(C2CC2)c1 ZINC000421386126 1122108296 /nfs/dbraw/zinc/10/82/96/1122108296.db2.gz RHRZVJMLVROWNH-LJQANCHMSA-N 0 1 279.383 3.925 20 0 CHADMN Cc1cc(CNCc2sccc2Cl)cc(C)n1 ZINC000421382351 1122108571 /nfs/dbraw/zinc/10/85/71/1122108571.db2.gz NAWUAQZNEPFZOF-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN FC(F)(F)c1ccc(CNC/C=C\C2CC2)c(Cl)n1 ZINC001182085485 1122110165 /nfs/dbraw/zinc/11/01/65/1122110165.db2.gz FYFNSXQTWSSESG-UPHRSURJSA-N 0 1 290.716 3.810 20 0 CHADMN CCOc1ccc([C@H]2CCC[N@H+]2Cc2cccn2C)cc1 ZINC000153303766 1129032564 /nfs/dbraw/zinc/03/25/64/1129032564.db2.gz JDRSDPHQQHWTHS-GOSISDBHSA-N 0 1 284.403 3.761 20 0 CHADMN COc1ccc2nc(CN(C)C3CC(C)(C)C3)sc2c1 ZINC001182251981 1122123778 /nfs/dbraw/zinc/12/37/78/1122123778.db2.gz VHNCKOGMVZGBJS-UHFFFAOYSA-N 0 1 290.432 3.925 20 0 CHADMN CN(Cc1ccc(F)c(F)c1F)C1CC(C)(C)C1 ZINC001182251799 1122124255 /nfs/dbraw/zinc/12/42/55/1122124255.db2.gz SEEBGEHRRDFYDO-UHFFFAOYSA-N 0 1 257.299 3.724 20 0 CHADMN COC(=O)c1coc([C@H](C)N[C@H](C)c2ccc(C)s2)c1 ZINC000774141308 1122129777 /nfs/dbraw/zinc/12/97/77/1122129777.db2.gz SMCIEMFKRHBLFX-WDEREUQCSA-N 0 1 293.388 3.848 20 0 CHADMN CC(C)c1ccc(CN(CC(N)=O)C(C)C)c(C(C)C)c1 ZINC000620105523 1129034362 /nfs/dbraw/zinc/03/43/62/1129034362.db2.gz YRLWXDJOWQSFDL-UHFFFAOYSA-N 0 1 290.451 3.629 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2ccnn2C)cc(C)c1F ZINC000774213127 1122144493 /nfs/dbraw/zinc/14/44/93/1122144493.db2.gz MEMBKVGWEWCMIJ-QWHCGFSZSA-N 0 1 275.371 3.588 20 0 CHADMN C[C@H](N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccnn1C ZINC000774228774 1122146322 /nfs/dbraw/zinc/14/63/22/1122146322.db2.gz WKPHIBLGNIDGNG-DZGCQCFKSA-N 0 1 297.402 3.517 20 0 CHADMN CC1(C)CCCC[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000192783817 1129034528 /nfs/dbraw/zinc/03/45/28/1129034528.db2.gz BUIFWYZUWNLMAI-GJZGRUSLSA-N 0 1 298.386 3.550 20 0 CHADMN CCN(Cc1occc1C)CC1=Cc2ccccc2OC1 ZINC000414548229 1122150753 /nfs/dbraw/zinc/15/07/53/1122150753.db2.gz JNZWVGLECHSXAF-UHFFFAOYSA-N 0 1 283.371 3.886 20 0 CHADMN Cc1ccccc1[C@]1(F)CCN(CCOC(C)(C)C)C1 ZINC000502877040 1122152191 /nfs/dbraw/zinc/15/21/91/1122152191.db2.gz LHCBIPANANZJTL-KRWDZBQOSA-N 0 1 279.399 3.681 20 0 CHADMN COCCCCCN1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000502892365 1122154394 /nfs/dbraw/zinc/15/43/94/1122154394.db2.gz KSKWAKKCMUZTND-QGZVFWFLSA-N 0 1 297.389 3.821 20 0 CHADMN CC(C)OCC(C)(C)NCc1ncc(C(C)(C)C)s1 ZINC000414556348 1122157163 /nfs/dbraw/zinc/15/71/63/1122157163.db2.gz VNBQDIXXJFHTAU-UHFFFAOYSA-N 0 1 284.469 3.734 20 0 CHADMN CCC[C@H](Cc1ccccc1)N[C@@H](C)c1csnn1 ZINC000414556240 1122157008 /nfs/dbraw/zinc/15/70/08/1122157008.db2.gz YBHPQVOJFKXNMU-GXTWGEPZSA-N 0 1 275.421 3.600 20 0 CHADMN Cc1cccnc1CN1CC[C@](F)(c2ccccc2C)C1 ZINC000502903038 1122157370 /nfs/dbraw/zinc/15/73/70/1122157370.db2.gz KZOPRCAYZWNGRG-GOSISDBHSA-N 0 1 284.378 3.769 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cccc(F)n1)C1CC1 ZINC000774455646 1122167145 /nfs/dbraw/zinc/16/71/45/1122167145.db2.gz GGDSVXSMJRKTSL-KRWDZBQOSA-N 0 1 270.351 3.770 20 0 CHADMN COc1c(F)cc(F)cc1CN1CCCCC[C@@H]1C ZINC001143557792 1122167289 /nfs/dbraw/zinc/16/72/89/1122167289.db2.gz OYWBUGBCCXNDSW-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN CC(C)CCN(Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000047911835 1122169705 /nfs/dbraw/zinc/16/97/05/1122169705.db2.gz QKVABOAZEBHJQS-UHFFFAOYSA-N 0 1 280.343 3.744 20 0 CHADMN COc1ccccc1-c1ccc([C@@H](C)NCCF)cc1 ZINC000271753682 1122173981 /nfs/dbraw/zinc/17/39/81/1122173981.db2.gz UBOIJZZEBAGEGO-CYBMUJFWSA-N 0 1 273.351 3.982 20 0 CHADMN CC(C)(C)n1cc(CNCc2coc3ccccc23)cn1 ZINC000271773529 1122174915 /nfs/dbraw/zinc/17/49/15/1122174915.db2.gz CEZLHDWGQVPTCE-UHFFFAOYSA-N 0 1 283.375 3.674 20 0 CHADMN FC(F)(F)c1cccc([C@H](NCc2ccno2)C2CC2)c1 ZINC000271787688 1122175096 /nfs/dbraw/zinc/17/50/96/1122175096.db2.gz CPBZXDUSFLYRSF-CQSZACIVSA-N 0 1 296.292 3.934 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2C)C(C)C)ncn1 ZINC000271791387 1122175168 /nfs/dbraw/zinc/17/51/68/1122175168.db2.gz WQUHBLFUPGKGKW-QGZVFWFLSA-N 0 1 269.392 3.580 20 0 CHADMN Cc1cc([C@@H](NCc2ccc(F)cn2)C2CC2)ccc1F ZINC000271797379 1122176423 /nfs/dbraw/zinc/17/64/23/1122176423.db2.gz XGESDTJBDXBXAN-KRWDZBQOSA-N 0 1 288.341 3.909 20 0 CHADMN CC(C)(C)OC(=O)c1cccc(CNCc2ccoc2)c1 ZINC000271804205 1122177108 /nfs/dbraw/zinc/17/71/08/1122177108.db2.gz JMEPYEXXLDHKEK-UHFFFAOYSA-N 0 1 287.359 3.525 20 0 CHADMN COc1cc([C@H](C)N[C@@H](c2ccccc2)C2CCC2)on1 ZINC000924944151 1122179132 /nfs/dbraw/zinc/17/91/32/1122179132.db2.gz UXRDXRXUCJNHRD-SJCJKPOMSA-N 0 1 286.375 3.875 20 0 CHADMN Cc1oc2ccccc2c1CN[C@@H]1CCCc2c[nH]nc21 ZINC000271873996 1122180196 /nfs/dbraw/zinc/18/01/96/1122180196.db2.gz YRDLTKXWACGEIU-OAHLLOKOSA-N 0 1 281.359 3.632 20 0 CHADMN C[C@@H]1C[C@H]1[C@@H](NCc1ccno1)c1ccc(Cl)cc1 ZINC000272014324 1122186648 /nfs/dbraw/zinc/18/66/48/1122186648.db2.gz KJNCMLZALHMXAH-KMUNFCNLSA-N 0 1 276.767 3.815 20 0 CHADMN C[C@@H]1C[C@@H]1[C@H](NCc1ccno1)c1ccc(Cl)cc1 ZINC000272014332 1122187419 /nfs/dbraw/zinc/18/74/19/1122187419.db2.gz KJNCMLZALHMXAH-WKPIXPDZSA-N 0 1 276.767 3.815 20 0 CHADMN COc1ccc(CNC(C)(C)c2cccc(Cl)c2)nc1 ZINC000272023940 1122187446 /nfs/dbraw/zinc/18/74/46/1122187446.db2.gz LXWGLAXIUOVQHQ-UHFFFAOYSA-N 0 1 290.794 3.769 20 0 CHADMN COc1ccc(CN(Cc2cccs2)C(C)C)nc1 ZINC000272053492 1122189239 /nfs/dbraw/zinc/18/92/39/1122189239.db2.gz ZYQWPQKKXJEQNH-UHFFFAOYSA-N 0 1 276.405 3.562 20 0 CHADMN CCc1noc(C)c1CN[C@@H](c1ccccc1)C1CC1 ZINC000272099857 1122190217 /nfs/dbraw/zinc/19/02/17/1122190217.db2.gz ZITZTKQFINAESA-KRWDZBQOSA-N 0 1 270.376 3.786 20 0 CHADMN Cc1[nH]ncc1CNc1ccccc1N(C)C1CCCC1 ZINC000152518007 1122192818 /nfs/dbraw/zinc/19/28/18/1122192818.db2.gz XXQVIORJUURZJK-UHFFFAOYSA-N 0 1 284.407 3.709 20 0 CHADMN CCc1ccc(C)nc1N[C@H]1C[C@@H](OC)C1(CC)CC ZINC001182875136 1122193915 /nfs/dbraw/zinc/19/39/15/1122193915.db2.gz XNCOXAAXSMULSR-LSDHHAIUSA-N 0 1 276.424 3.958 20 0 CHADMN COc1c(O)cccc1CN1CCC[C@@H]1c1ccsc1 ZINC000272230476 1122194908 /nfs/dbraw/zinc/19/49/08/1122194908.db2.gz DRTQHAHEDWZLCW-CQSZACIVSA-N 0 1 289.400 3.799 20 0 CHADMN CC(C)Cc1ccc(CN2CCCC(F)(F)CC2)cn1 ZINC001182911250 1122195717 /nfs/dbraw/zinc/19/57/17/1122195717.db2.gz XFCVLJOPBMPKJY-UHFFFAOYSA-N 0 1 282.378 3.901 20 0 CHADMN CC(C)C1CCC(CN2CCO[C@](C)(C(F)F)C2)CC1 ZINC001182988565 1122197998 /nfs/dbraw/zinc/19/79/98/1122197998.db2.gz ARYCPCQNGRCOKF-XUJLQICISA-N 0 1 289.410 3.805 20 0 CHADMN Cc1ccc(CCN2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1C ZINC001182971225 1122198812 /nfs/dbraw/zinc/19/88/12/1122198812.db2.gz YUQMJYPLKNZIIK-WMLDXEAASA-N 0 1 297.389 3.590 20 0 CHADMN Cc1cc(CN2CCN(c3ccc(C)cc3C)CC2)c(C)o1 ZINC001183011964 1122199326 /nfs/dbraw/zinc/19/93/26/1122199326.db2.gz NKZSSNAZIVVMMT-UHFFFAOYSA-N 0 1 298.430 3.835 20 0 CHADMN COCC[C@H](N[C@@H](C)c1ccccc1)c1ccco1 ZINC000272373701 1122199451 /nfs/dbraw/zinc/19/94/51/1122199451.db2.gz AJSGBDQBUBPTFJ-ZFWWWQNUSA-N 0 1 259.349 3.708 20 0 CHADMN CC1(C)C[C@H](N[C@H](CCc2ccccc2)C(F)F)CCO1 ZINC000272490364 1122203572 /nfs/dbraw/zinc/20/35/72/1122203572.db2.gz KEBYLWCOORNRMD-HUUCEWRRSA-N 0 1 297.389 3.800 20 0 CHADMN COCC[C@@H](N[C@H]1CCc2ccccc21)c1ccco1 ZINC000272584295 1122206068 /nfs/dbraw/zinc/20/60/68/1122206068.db2.gz QZPOOFQANLIVBH-JKSUJKDBSA-N 0 1 271.360 3.634 20 0 CHADMN COCC[C@H](N[C@@H](C)c1cccc(OC)c1)c1ccco1 ZINC000272617325 1122207910 /nfs/dbraw/zinc/20/79/10/1122207910.db2.gz XLTKWMKCDIUFQY-BBRMVZONSA-N 0 1 289.375 3.717 20 0 CHADMN COCC[C@@H](N[C@@H](C)c1cccc(OC)c1)c1ccco1 ZINC000272617331 1122207920 /nfs/dbraw/zinc/20/79/20/1122207920.db2.gz XLTKWMKCDIUFQY-XJKSGUPXSA-N 0 1 289.375 3.717 20 0 CHADMN COCC[C@@H](N[C@@H]1CCc2ccc(C)cc21)c1ccco1 ZINC000272599639 1122208000 /nfs/dbraw/zinc/20/80/00/1122208000.db2.gz UANNJZUQOBATEH-IAGOWNOFSA-N 0 1 285.387 3.943 20 0 CHADMN COCC[C@H](N[C@H]1CCc2ccc(C)cc21)c1ccco1 ZINC000272599641 1122208025 /nfs/dbraw/zinc/20/80/25/1122208025.db2.gz UANNJZUQOBATEH-IRXDYDNUSA-N 0 1 285.387 3.943 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC(CCCO)CC1 ZINC000272930187 1122215191 /nfs/dbraw/zinc/21/51/91/1122215191.db2.gz JXDWAFAZHHLXTF-GFCCVEGCSA-N 0 1 283.362 3.510 20 0 CHADMN Cc1nnc([C@@H](C)N[C@H]2CC(C)(C)CCc3ccccc32)[nH]1 ZINC000664289853 1122221588 /nfs/dbraw/zinc/22/15/88/1122221588.db2.gz OSBSGGOWUBMMOR-WBMJQRKESA-N 0 1 298.434 3.868 20 0 CHADMN COc1ccnc(CNC(C)(C)c2cccc(Cl)c2)c1 ZINC000273237010 1122224804 /nfs/dbraw/zinc/22/48/04/1122224804.db2.gz WVKLXTALOZSMTD-UHFFFAOYSA-N 0 1 290.794 3.769 20 0 CHADMN Cc1cc(C[C@H](C)N[C@@H](c2ccccc2)C(F)(F)F)[nH]n1 ZINC000273331964 1122229490 /nfs/dbraw/zinc/22/94/90/1122229490.db2.gz JWPNAWNAGSWBAG-HZMBPMFUSA-N 0 1 297.324 3.542 20 0 CHADMN CCC[C@H](NCc1ccc(F)c(F)c1)c1cccnc1 ZINC000273387191 1122230204 /nfs/dbraw/zinc/23/02/04/1122230204.db2.gz JXPWRZWDFKISNO-INIZCTEOSA-N 0 1 276.330 3.991 20 0 CHADMN CCCCCN[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000273420901 1122231633 /nfs/dbraw/zinc/23/16/33/1122231633.db2.gz VIERFRXAONXLBX-GFCCVEGCSA-N 0 1 289.379 3.586 20 0 CHADMN Cc1cc(CN[C@H](C)c2cnc(C)nc2C)ccc1Cl ZINC000273428867 1122232730 /nfs/dbraw/zinc/23/27/30/1122232730.db2.gz KRPXHHATNSUVGI-LLVKDONJSA-N 0 1 289.810 3.906 20 0 CHADMN Cc1ncoc1CN[C@@H](CC1CC1)c1ccccc1 ZINC000894269551 1122233124 /nfs/dbraw/zinc/23/31/24/1122233124.db2.gz SYGAGXDITFHDGR-HNNXBMFYSA-N 0 1 256.349 3.614 20 0 CHADMN C[C@H](CN[C@H]1c2ccccc2OC[C@H]1F)c1ccccc1 ZINC001183789745 1122239761 /nfs/dbraw/zinc/23/97/61/1122239761.db2.gz WZSSNMXJDVBJNW-QBIMZIAESA-N 0 1 285.362 3.852 20 0 CHADMN C[C@H](CN[C@H]1c2ccccc2OC[C@@H]1F)c1ccccc1 ZINC001183789747 1122240066 /nfs/dbraw/zinc/24/00/66/1122240066.db2.gz WZSSNMXJDVBJNW-SKDZVZGDSA-N 0 1 285.362 3.852 20 0 CHADMN Cc1cccc2nc(NC(=O)C3CCC4(CC4)CC3)[nH]c21 ZINC001183878718 1122242655 /nfs/dbraw/zinc/24/26/55/1122242655.db2.gz FHLUWHHVRSKLDO-UHFFFAOYSA-N 0 1 283.375 3.780 20 0 CHADMN CC(C)CN(C)Cc1c(F)cc(OC(C)C)cc1F ZINC001250136550 1122247228 /nfs/dbraw/zinc/24/72/28/1122247228.db2.gz UBIBJGHNSXUAAC-UHFFFAOYSA-N 0 1 271.351 3.840 20 0 CHADMN [O-]c1cc(F)c(CC[NH2+][C@H]2CCC23CCCC3)c(F)c1 ZINC001183972379 1122249536 /nfs/dbraw/zinc/24/95/36/1122249536.db2.gz QNWGFHPXMMQMSX-HNNXBMFYSA-N 0 1 281.346 3.525 20 0 CHADMN FC1(C2CC2)CCN(Cc2ccnn2-c2ccccc2)CC1 ZINC001184124565 1122256359 /nfs/dbraw/zinc/25/63/59/1122256359.db2.gz LKABXTVQQNBRJZ-UHFFFAOYSA-N 0 1 299.393 3.586 20 0 CHADMN O=C(CCCC1CCCCC1)Nc1cc(=O)[nH]c(Cl)n1 ZINC001184223022 1122262562 /nfs/dbraw/zinc/26/25/62/1122262562.db2.gz TYTGBTODLQZAMN-UHFFFAOYSA-N 0 1 297.786 3.525 20 0 CHADMN C/C(=C/c1ccccc1)CN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000503566230 1122268947 /nfs/dbraw/zinc/26/89/47/1122268947.db2.gz WHSDGCCXAXERMB-MBFUGGCFSA-N 0 1 259.393 3.588 20 0 CHADMN CCc1ccc2c(c1)CN(Cc1cccc3c1OCC3)CC2 ZINC001184419309 1122275659 /nfs/dbraw/zinc/27/56/59/1122275659.db2.gz ZKKPONGZURDVOT-UHFFFAOYSA-N 0 1 293.410 3.742 20 0 CHADMN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCc1ocnc1C ZINC000894283500 1122291706 /nfs/dbraw/zinc/29/17/06/1122291706.db2.gz JKKJGFJSOMRMBQ-IAQYHMDHSA-N 0 1 294.782 3.502 20 0 CHADMN C[C@@H]1c2cccn2CCN1Cc1cccc2ncccc12 ZINC000637839777 1122294489 /nfs/dbraw/zinc/29/44/89/1122294489.db2.gz BHOPVJUYGWSFNG-CQSZACIVSA-N 0 1 277.371 3.613 20 0 CHADMN Cc1ccc(CN2CC[C@@H](CF)C2)cc1Br ZINC000711519652 1122298508 /nfs/dbraw/zinc/29/85/08/1122298508.db2.gz RCGAYAPECMPLGE-LBPRGKRZSA-N 0 1 286.188 3.549 20 0 CHADMN FC[C@H]1CCCN(Cc2sccc2Br)C1 ZINC000711511100 1122298631 /nfs/dbraw/zinc/29/86/31/1122298631.db2.gz UTTSYQADPUNDCU-SECBINFHSA-N 0 1 292.217 3.692 20 0 CHADMN O=C1CC2(CCN(Cc3ccco3)CC2)c2cc(F)ccc21 ZINC001203272520 1122300214 /nfs/dbraw/zinc/30/02/14/1122300214.db2.gz HKNFQHUEFHNGEP-UHFFFAOYSA-N 0 1 299.345 3.539 20 0 CHADMN COc1cncc(CN2CCC[C@@H]2c2ccsc2)c1C ZINC000637909828 1122315362 /nfs/dbraw/zinc/31/53/62/1122315362.db2.gz LYSPAIBFUWHVIG-OAHLLOKOSA-N 0 1 288.416 3.797 20 0 CHADMN CSC[C@H]1CCCN(Cc2ccc(C)nc2Cl)C1 ZINC000688580363 1129047976 /nfs/dbraw/zinc/04/79/76/1129047976.db2.gz XHESXTHUJPUGAG-LBPRGKRZSA-N 0 1 284.856 3.618 20 0 CHADMN Fc1ccc([C@@H]2CCCN2C[C@H]2CCC=CO2)cc1F ZINC000774887323 1122345491 /nfs/dbraw/zinc/34/54/91/1122345491.db2.gz KWECTBWTFDDCDI-CJNGLKHVSA-N 0 1 279.330 3.794 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1nc2cc(Cl)ccc2n1C ZINC000505309092 1122355877 /nfs/dbraw/zinc/35/58/77/1122355877.db2.gz YHZGQZLVOJFXIB-TXEJJXNPSA-N 0 1 291.826 3.990 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nc2ccc(Cl)cc2n1C ZINC000505307413 1122356019 /nfs/dbraw/zinc/35/60/19/1122356019.db2.gz FFZSFQNSNOKFOG-CYBMUJFWSA-N 0 1 291.826 3.991 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2csc(C(C)(C)C)n2)C1 ZINC000505346510 1122358517 /nfs/dbraw/zinc/35/85/17/1122358517.db2.gz WUSYCBYHWIBSTQ-TXEJJXNPSA-N 0 1 266.454 3.919 20 0 CHADMN COc1cccc(C)c1CN1CCC[C@@H]1c1cc(C)no1 ZINC000637948701 1122363209 /nfs/dbraw/zinc/36/32/09/1122363209.db2.gz QGQGFQQHKMUOQD-OAHLLOKOSA-N 0 1 286.375 3.637 20 0 CHADMN CC(C)n1ncnc1CN1CC[C@H](C)C2(CCCCC2)C1 ZINC000434491888 1122372444 /nfs/dbraw/zinc/37/24/44/1122372444.db2.gz LNADHIXZQOGSJT-HNNXBMFYSA-N 0 1 290.455 3.651 20 0 CHADMN Cc1occc1CNCc1cc(C)cc(Br)c1 ZINC000774979317 1122377151 /nfs/dbraw/zinc/37/71/51/1122377151.db2.gz TXDZDPUMBJPMNO-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN CCOCC1CCN(Cc2sccc2Cl)CC1 ZINC001205347522 1122382658 /nfs/dbraw/zinc/38/26/58/1122382658.db2.gz SXJFVUYVMIUIIH-UHFFFAOYSA-N 0 1 273.829 3.650 20 0 CHADMN CCN(Cc1csc(CCC(C)C)n1)C(C)C ZINC000620347507 1129050842 /nfs/dbraw/zinc/05/08/42/1129050842.db2.gz JSOWOGYGLJMOAN-UHFFFAOYSA-N 0 1 254.443 3.962 20 0 CHADMN CCN(Cc1c(Cl)cccc1OC)CC1CC1 ZINC000514210130 1122389304 /nfs/dbraw/zinc/38/93/04/1122389304.db2.gz AROAAKHEZJKZIL-UHFFFAOYSA-N 0 1 253.773 3.581 20 0 CHADMN Cc1ncsc1CCSc1nc2ccc(C)cc2[nH]1 ZINC000505454629 1122389550 /nfs/dbraw/zinc/38/95/50/1122389550.db2.gz BWTKYGMOPVCXTH-UHFFFAOYSA-N 0 1 289.429 3.971 20 0 CHADMN COc1ccccc1CN(C)Cc1cc(C)ccc1C ZINC000058876536 1122392763 /nfs/dbraw/zinc/39/27/63/1122392763.db2.gz ZPOXGLVUEVUFLS-UHFFFAOYSA-N 0 1 269.388 3.944 20 0 CHADMN Cc1nc[nH]c1C(=O)N(Cc1ccccc1)c1ccccc1 ZINC000074672992 1122395555 /nfs/dbraw/zinc/39/55/55/1122395555.db2.gz FIERQBCDACWITF-UHFFFAOYSA-N 0 1 291.354 3.565 20 0 CHADMN Cc1nn(C(C)C)cc1CNCc1coc2ccccc12 ZINC000281211357 1122396551 /nfs/dbraw/zinc/39/65/51/1122396551.db2.gz CJDWAQGJVZZQKS-UHFFFAOYSA-N 0 1 283.375 3.808 20 0 CHADMN C[C@]12CCN(Cc3cc4ccc(F)cc4[nH]3)C[C@H]1C2(F)F ZINC000430093439 1122402193 /nfs/dbraw/zinc/40/21/93/1122402193.db2.gz FEMZMMGEUDDSFB-CABCVRRESA-N 0 1 294.320 3.784 20 0 CHADMN Cc1cccc(CN(C)Cc2cn(C)nc2C(C)(C)C)c1C ZINC000430093591 1122403390 /nfs/dbraw/zinc/40/33/90/1122403390.db2.gz HOQJTRUXGYEGDN-UHFFFAOYSA-N 0 1 299.462 3.966 20 0 CHADMN C[C@@]1(CNCc2c(F)cccc2F)CC1(Cl)Cl ZINC000824757942 1122413965 /nfs/dbraw/zinc/41/39/65/1122413965.db2.gz AUBGNVXJOZLTKC-NSHDSACASA-N 0 1 280.145 3.638 20 0 CHADMN C[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000434893219 1122418630 /nfs/dbraw/zinc/41/86/30/1122418630.db2.gz ACIYHBMKCMRHAA-IIAWOOMASA-N 0 1 289.419 3.595 20 0 CHADMN COCC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(C)c1 ZINC000505565287 1122421233 /nfs/dbraw/zinc/42/12/33/1122421233.db2.gz UBXZNAQNOJXAEX-UHFFFAOYSA-N 0 1 299.414 3.652 20 0 CHADMN COc1ccccc1CN1CC[C@@H]1c1ccccc1 ZINC000434982392 1122425542 /nfs/dbraw/zinc/42/55/42/1122425542.db2.gz LBPFDYRIAVZDJK-MRXNPFEDSA-N 0 1 253.345 3.642 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(-c3cc[nH]n3)o2)ccc1F ZINC000434986428 1122426493 /nfs/dbraw/zinc/42/64/93/1122426493.db2.gz HGZGQDXGOMCSRD-UHFFFAOYSA-N 0 1 299.349 3.749 20 0 CHADMN CC1(C)CCN(Cc2ccc(Cl)o2)CCS1 ZINC000435049712 1122431420 /nfs/dbraw/zinc/43/14/20/1122431420.db2.gz OLJLLKBZXGEPBD-UHFFFAOYSA-N 0 1 259.802 3.651 20 0 CHADMN CN(Cc1cccc(-n2cccn2)c1)Cc1ccccc1F ZINC000505598330 1122432534 /nfs/dbraw/zinc/43/25/34/1122432534.db2.gz WOOVHCYWQZHAAI-UHFFFAOYSA-N 0 1 295.361 3.643 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(-c3cc[nH]n3)o2)s1 ZINC000435136689 1122438288 /nfs/dbraw/zinc/43/82/88/1122438288.db2.gz GDAIEJQVEBGLCU-UHFFFAOYSA-N 0 1 287.388 3.672 20 0 CHADMN CC(C)N(Cc1ccco1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435139862 1122438748 /nfs/dbraw/zinc/43/87/48/1122438748.db2.gz YADCJPNWPRROIL-UHFFFAOYSA-N 0 1 285.347 3.673 20 0 CHADMN Cc1noc([C@@H](C)N2CC[C@@H](c3ccc(C)cc3C)C2)n1 ZINC000684210685 1129055002 /nfs/dbraw/zinc/05/50/02/1129055002.db2.gz AIXUWPZMEQLQKE-UKRRQHHQSA-N 0 1 285.391 3.545 20 0 CHADMN CN(Cc1cccs1)Cc1c[nH]nc1-c1cccs1 ZINC000505630690 1122443775 /nfs/dbraw/zinc/44/37/75/1122443775.db2.gz DPXIFJVUMCKTGL-UHFFFAOYSA-N 0 1 289.429 3.832 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(C(F)(F)F)cc1 ZINC000505630719 1122443922 /nfs/dbraw/zinc/44/39/22/1122443922.db2.gz DUUUSNZMMSOXFC-SMDDNHRTSA-N 0 1 287.325 3.705 20 0 CHADMN Cc1noc([C@@H](C)N2CC[C@H](c3ccc(C)cc3C)C2)n1 ZINC000684210684 1129055228 /nfs/dbraw/zinc/05/52/28/1129055228.db2.gz AIXUWPZMEQLQKE-HIFRSBDPSA-N 0 1 285.391 3.545 20 0 CHADMN Cc1ccccc1-c1cc(C(=O)N(C)C[C@H]2CC2(C)C)n[nH]1 ZINC001187971586 1122448454 /nfs/dbraw/zinc/44/84/54/1122448454.db2.gz LBDBFFIFJGXOHT-CYBMUJFWSA-N 0 1 297.402 3.503 20 0 CHADMN Cc1ccc(NC(=O)Nc2ccc(F)c(F)c2O)cc1F ZINC001187991812 1122449889 /nfs/dbraw/zinc/44/98/89/1122449889.db2.gz QSKZIGQIWWBIPT-UHFFFAOYSA-N 0 1 296.248 3.762 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)C1CCCCC1 ZINC000514791286 1122450865 /nfs/dbraw/zinc/45/08/65/1122450865.db2.gz LYBNZHWRWRXTGN-HIFRSBDPSA-N 0 1 269.429 3.634 20 0 CHADMN Cc1cc(C(=O)Nc2c(Cl)ccc(O)c2Cl)cn1C ZINC001188072460 1122452674 /nfs/dbraw/zinc/45/26/74/1122452674.db2.gz OCCRGJNDKMDJEQ-UHFFFAOYSA-N 0 1 299.157 3.598 20 0 CHADMN CC(C)n1cncc1CN(C)[C@@H]1CCc2ccccc21 ZINC000425324254 1122453360 /nfs/dbraw/zinc/45/33/60/1122453360.db2.gz KDMRFGJNDJMIKW-QGZVFWFLSA-N 0 1 269.392 3.583 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cncn2C(C)C)cc1 ZINC000425328538 1122456311 /nfs/dbraw/zinc/45/63/11/1122456311.db2.gz RXDBHFFKGPIFOM-OAHLLOKOSA-N 0 1 271.408 3.965 20 0 CHADMN CSCc1cnc(CN(C)[C@@H]2CC[C@@H](C)C2)s1 ZINC000353200123 1122460330 /nfs/dbraw/zinc/46/03/30/1122460330.db2.gz AZGYUBQPJZZTJB-GHMZBOCLSA-N 0 1 270.467 3.627 20 0 CHADMN FC(F)CC1CN(Cc2cc(Cl)cc3cccnc32)C1 ZINC000425363432 1122461880 /nfs/dbraw/zinc/46/18/80/1122461880.db2.gz BOMPAYQTDFTQOG-UHFFFAOYSA-N 0 1 296.748 3.975 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)Nc1ncc(F)cc1O ZINC001188701682 1122474210 /nfs/dbraw/zinc/47/42/10/1122474210.db2.gz DFJHGFDYOCGNOJ-UHFFFAOYSA-N 0 1 295.701 3.532 20 0 CHADMN Fc1ccc2nc(-c3cnc(C(F)(F)F)s3)[nH]c2c1 ZINC000435689812 1122482330 /nfs/dbraw/zinc/48/23/30/1122482330.db2.gz DKKKKCYMUXULMM-UHFFFAOYSA-N 0 1 287.241 3.844 20 0 CHADMN O=C1CCC[C@@H]2CN(Cc3ccccc3C(F)(F)F)C[C@H]12 ZINC001203697947 1122490229 /nfs/dbraw/zinc/49/02/29/1122490229.db2.gz LYPNUFLPCUJOTA-YPMHNXCESA-N 0 1 297.320 3.506 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CCC2(CC2)CC1 ZINC000366635704 1122491695 /nfs/dbraw/zinc/49/16/95/1122491695.db2.gz XWOVSEZVVUVXSQ-UHFFFAOYSA-N 0 1 286.419 3.625 20 0 CHADMN Cc1nc(C(F)(F)F)c(Nc2ccc3cncn3c2)s1 ZINC001250326986 1122495749 /nfs/dbraw/zinc/49/57/49/1122495749.db2.gz FXZWDNYQROUMLT-UHFFFAOYSA-N 0 1 298.293 3.862 20 0 CHADMN CC(C)=CCOC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000775280804 1122509043 /nfs/dbraw/zinc/50/90/43/1122509043.db2.gz OGJRFZLPOYWFOK-UHFFFAOYSA-N 0 1 284.359 3.817 20 0 CHADMN C[C@@H]1CN(CCCC2CCCCC2)C[C@@H](C)C1=O ZINC001643736090 1129059625 /nfs/dbraw/zinc/05/96/25/1129059625.db2.gz ACPQAQIATKNKPZ-ZIAGYGMSSA-N 0 1 251.414 3.504 20 0 CHADMN CCc1nc(CSc2cc(CC)c(OC)cc2C)n[nH]1 ZINC001189891625 1122518628 /nfs/dbraw/zinc/51/86/28/1122518628.db2.gz HLVXOJBDCVYRTR-UHFFFAOYSA-N 0 1 291.420 3.539 20 0 CHADMN CN(Cc1cn[nH]c1)Cc1cc(Cl)cc2ccccc21 ZINC001167960496 1122519040 /nfs/dbraw/zinc/51/90/40/1122519040.db2.gz UBBDIIBUIZUXOC-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CC1(C[N@@H+](CCCC(=O)[O-])Cc2ccccc2)CCC1 ZINC000515660002 1122523048 /nfs/dbraw/zinc/52/30/48/1122523048.db2.gz HXLGLSFGEMUIQM-UHFFFAOYSA-N 0 1 275.392 3.544 20 0 CHADMN COc1c(F)cc(F)cc1CN(C)CCc1cccs1 ZINC001143561084 1122525404 /nfs/dbraw/zinc/52/54/04/1122525404.db2.gz JOAMHSRTPZNMEN-UHFFFAOYSA-N 0 1 297.370 3.709 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC001190126831 1122527193 /nfs/dbraw/zinc/52/71/93/1122527193.db2.gz PHOXJXCQPZQWET-NSHDSACASA-N 0 1 271.364 3.738 20 0 CHADMN COc1cc(CN2CCC=C(C)C2)ccc1SC ZINC000436261230 1122528837 /nfs/dbraw/zinc/52/88/37/1122528837.db2.gz JBHKWXZOZUOOKP-UHFFFAOYSA-N 0 1 263.406 3.569 20 0 CHADMN CC[C@H](OCCN1C[C@H](C)OC[C@H]1CC)c1ccccc1 ZINC001190341488 1122533914 /nfs/dbraw/zinc/53/39/14/1122533914.db2.gz YVBJIWLUIJBQBY-JQHSSLGASA-N 0 1 291.435 3.654 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc2c(cc1Cl)OCCO2 ZINC001190502715 1122540632 /nfs/dbraw/zinc/54/06/32/1122540632.db2.gz CGLLJJKHFJGWGX-CYBMUJFWSA-N 0 1 295.810 3.876 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@@H](CCCO)c2ccccc2)c1 ZINC000286234840 1122541045 /nfs/dbraw/zinc/54/10/45/1122541045.db2.gz SYRFODQEXLVQAD-WBVHZDCISA-N 0 1 284.403 3.554 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CC[C@@H](C)C[C@H]1C ZINC000425526008 1122543182 /nfs/dbraw/zinc/54/31/82/1122543182.db2.gz VKFHDKICJKKSES-UKRRQHHQSA-N 0 1 288.435 3.616 20 0 CHADMN CCCCC[C@H]1CCCCN1C(=O)c1cc(CC)[nH]n1 ZINC000620562603 1129061745 /nfs/dbraw/zinc/06/17/45/1129061745.db2.gz BRHJPRIZHRDDMF-AWEZNQCLSA-N 0 1 277.412 3.547 20 0 CHADMN CCOc1cccc(Cl)c1CN(C)CC(C)C ZINC001190597862 1122548095 /nfs/dbraw/zinc/54/80/95/1122548095.db2.gz XYDRHYJXGMBRSN-UHFFFAOYSA-N 0 1 255.789 3.827 20 0 CHADMN C[C@]1(CF)CCN(Cc2cc(O)c(Cl)c(F)c2F)C1 ZINC001250387045 1122549057 /nfs/dbraw/zinc/54/90/57/1122549057.db2.gz GEGSAEQMRCSVPS-CYBMUJFWSA-N 0 1 293.716 3.505 20 0 CHADMN C[C@@H]1CCCC[N@H+](Cc2cc([O-])c(Cl)c(F)c2F)C1 ZINC001250387956 1122549408 /nfs/dbraw/zinc/54/94/08/1122549408.db2.gz RFHZOMFRWOJCLE-SECBINFHSA-N 0 1 289.753 3.946 20 0 CHADMN C[C@@H]1CCCC[N@@H+](Cc2cc([O-])c(Cl)c(F)c2F)C1 ZINC001250387956 1122549413 /nfs/dbraw/zinc/54/94/13/1122549413.db2.gz RFHZOMFRWOJCLE-SECBINFHSA-N 0 1 289.753 3.946 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)cn1 ZINC000505822926 1122549784 /nfs/dbraw/zinc/54/97/84/1122549784.db2.gz BAQLNVSOFWBLQF-LECLMCCNSA-N 0 1 294.398 3.768 20 0 CHADMN COc1ccc(CN2CCC[C@@H]2/C=C\c2ccccc2)cn1 ZINC000505822926 1122549787 /nfs/dbraw/zinc/54/97/87/1122549787.db2.gz BAQLNVSOFWBLQF-LECLMCCNSA-N 0 1 294.398 3.768 20 0 CHADMN CC[C@H](C)[C@@H](C)N1CCO[C@H](c2ccccc2F)C1 ZINC001190790703 1122555356 /nfs/dbraw/zinc/55/53/56/1122555356.db2.gz CSPCNWQIPXEYRU-ZENOOKHLSA-N 0 1 265.372 3.634 20 0 CHADMN C[C@H]1CCN(C(=O)c2cc(Cl)c3ccccc3c2O)C1 ZINC000436540028 1122560269 /nfs/dbraw/zinc/56/02/69/1122560269.db2.gz XPTBNKGWLXKOBJ-JTQLQIEISA-N 0 1 289.762 3.681 20 0 CHADMN COc1c(F)cc(F)cc1CN1CCC[C@H]2CCC[C@@H]21 ZINC001143561566 1122561683 /nfs/dbraw/zinc/56/16/83/1122561683.db2.gz URCQLAIOAMZOTP-ABAIWWIYSA-N 0 1 281.346 3.738 20 0 CHADMN CC[C@H]1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000436579367 1122564106 /nfs/dbraw/zinc/56/41/06/1122564106.db2.gz UMZAMDMQXLOJQQ-QMMMGPOBSA-N 0 1 288.174 3.571 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C[C@@H](C)CC(C)C)c1 ZINC000436653249 1122568229 /nfs/dbraw/zinc/56/82/29/1122568229.db2.gz TYVBQBAETTWHQV-LBPRGKRZSA-N 0 1 291.391 3.996 20 0 CHADMN CC(C)SCCNc1ccc2c(n1)CCCC2 ZINC000712362576 1122574731 /nfs/dbraw/zinc/57/47/31/1122574731.db2.gz HQPWNMUXYGCKBT-UHFFFAOYSA-N 0 1 250.411 3.514 20 0 CHADMN Oc1c(F)cc(-c2nc3cc(Cl)ccc3[nH]2)cc1F ZINC000436746443 1122578137 /nfs/dbraw/zinc/57/81/37/1122578137.db2.gz GYFNMTHWEGYMGG-UHFFFAOYSA-N 0 1 280.661 3.867 20 0 CHADMN CCCN(CC)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000436758135 1122578849 /nfs/dbraw/zinc/57/88/49/1122578849.db2.gz LMZMAVFMGBTKQH-UHFFFAOYSA-N 0 1 276.163 3.571 20 0 CHADMN COc1ccc(C(C)C)cc1CN1CCSC[C@H]1C ZINC001191173886 1122580150 /nfs/dbraw/zinc/58/01/50/1122580150.db2.gz JUHUGBURWCIMHC-CYBMUJFWSA-N 0 1 279.449 3.756 20 0 CHADMN C[C@@H]1CCc2nc(C[N@H+]3CCCC[C@@H]3C)sc2C1 ZINC000505893286 1122591638 /nfs/dbraw/zinc/59/16/38/1122591638.db2.gz CKWMQBBBCZDVAV-NEPJUHHUSA-N 0 1 264.438 3.642 20 0 CHADMN C[C@@H]1CCc2nc(CN3CCCC[C@@H]3C)sc2C1 ZINC000505893286 1122591644 /nfs/dbraw/zinc/59/16/44/1122591644.db2.gz CKWMQBBBCZDVAV-NEPJUHHUSA-N 0 1 264.438 3.642 20 0 CHADMN CC(C)CC[C@@H]1CCCCN1C(=O)c1c(O)cccc1F ZINC000436891628 1122592414 /nfs/dbraw/zinc/59/24/14/1122592414.db2.gz XYRGSZZQYHUAKK-ZDUSSCGKSA-N 0 1 293.382 3.962 20 0 CHADMN CN(C(=O)c1ccc(O)c(Cl)c1)[C@H]1CCC(C)(C)C1 ZINC000436919135 1122594285 /nfs/dbraw/zinc/59/42/85/1122594285.db2.gz BKPPLGUGISDGAO-NSHDSACASA-N 0 1 281.783 3.696 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001191331148 1122594404 /nfs/dbraw/zinc/59/44/04/1122594404.db2.gz XNTAWBUJRYHQHB-DFBGVHRSSA-N 0 1 299.336 3.543 20 0 CHADMN Cc1ccc(F)cc1NC(=O)Nc1ccc(F)c(F)c1O ZINC001191417776 1122599136 /nfs/dbraw/zinc/59/91/36/1122599136.db2.gz LTVQFPURMCFVMU-UHFFFAOYSA-N 0 1 296.248 3.762 20 0 CHADMN CCc1ncc(CN(CC)Cc2ccccc2)s1 ZINC000505913413 1122600175 /nfs/dbraw/zinc/60/01/75/1122600175.db2.gz SWDDXADVOLUGCP-UHFFFAOYSA-N 0 1 260.406 3.728 20 0 CHADMN CCCCC[C@@H]1CCCN1C(=O)c1c(O)cccc1F ZINC000436990835 1122601050 /nfs/dbraw/zinc/60/10/50/1122601050.db2.gz SPBQNVDLOAQXPP-GFCCVEGCSA-N 0 1 279.355 3.716 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2coc3ccc(F)cc23)n1 ZINC000516465341 1122601151 /nfs/dbraw/zinc/60/11/51/1122601151.db2.gz GCJISJSNQDYMIN-GFCCVEGCSA-N 0 1 289.310 3.668 20 0 CHADMN CC(C)=CCCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436994394 1122601410 /nfs/dbraw/zinc/60/14/10/1122601410.db2.gz MOBZXNDOGXCGLJ-UHFFFAOYSA-N 0 1 288.174 3.785 20 0 CHADMN O=C(Nc1csc2ccccc12)c1c(O)cccc1F ZINC000436990373 1122601502 /nfs/dbraw/zinc/60/15/02/1122601502.db2.gz RCUSIKXPEZPYPY-UHFFFAOYSA-N 0 1 287.315 3.998 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1Cc1cc(F)ccc1Br ZINC001191486253 1122601907 /nfs/dbraw/zinc/60/19/07/1122601907.db2.gz NSXKJOZNKKJGJS-VHSXEESVSA-N 0 1 286.188 3.819 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1cccc(C(C)C)c1 ZINC000437008125 1122602796 /nfs/dbraw/zinc/60/27/96/1122602796.db2.gz NGFNCGPREISCOQ-AWEZNQCLSA-N 0 1 269.392 3.759 20 0 CHADMN Fc1cccc(F)c1CCCN1CCOC2(CCCC2)C1 ZINC001191559979 1122606625 /nfs/dbraw/zinc/60/66/25/1122606625.db2.gz UCXPAIJVIMHTFC-UHFFFAOYSA-N 0 1 295.373 3.542 20 0 CHADMN Fc1ccc(C2CCN(Cc3ccco3)CC2)c(F)c1 ZINC001203289476 1122607464 /nfs/dbraw/zinc/60/74/64/1122607464.db2.gz GRXFDILJGGYQKP-UHFFFAOYSA-N 0 1 277.314 3.937 20 0 CHADMN C[C@@H]1CCCN1Cc1cccc(F)c1Br ZINC000158005824 1122611380 /nfs/dbraw/zinc/61/13/80/1122611380.db2.gz SFFPUQQZLJYIGB-SECBINFHSA-N 0 1 272.161 3.573 20 0 CHADMN CC(C)CN(C)Cc1cccc(F)c1Br ZINC000158018808 1122613664 /nfs/dbraw/zinc/61/36/64/1122613664.db2.gz AIQNHCZNVGAYHB-UHFFFAOYSA-N 0 1 274.177 3.676 20 0 CHADMN CCO[C@H](CN1CCc2c(F)cc(F)cc2[C@@H]1C)C1CC1 ZINC001192213858 1122632257 /nfs/dbraw/zinc/63/22/57/1122632257.db2.gz MIHIYCFHLWUWCM-APPDUMDISA-N 0 1 295.373 3.699 20 0 CHADMN COc1c(F)cc(F)cc1CN1CCC(C(C)C)CC1 ZINC001143563181 1122636286 /nfs/dbraw/zinc/63/62/86/1122636286.db2.gz OOZTYBZDQKNMMR-UHFFFAOYSA-N 0 1 283.362 3.841 20 0 CHADMN CCN(Cc1sccc1OC)Cc1cccc(F)c1 ZINC000506056859 1122636371 /nfs/dbraw/zinc/63/63/71/1122636371.db2.gz ZLHCNXAXKSOLMA-UHFFFAOYSA-N 0 1 279.380 3.918 20 0 CHADMN C[N@@H+](CC[C@@H]1CCOC1)Cc1cccc(Cl)c1Cl ZINC000437584199 1122643996 /nfs/dbraw/zinc/64/39/96/1122643996.db2.gz RJNCTVKNTVMLGK-LLVKDONJSA-N 0 1 288.218 3.852 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cncc(Cl)c2)CC(C)(C)C1 ZINC001192501018 1122648596 /nfs/dbraw/zinc/64/85/96/1122648596.db2.gz LKUVRTIENYQHMD-LLVKDONJSA-N 0 1 252.789 3.603 20 0 CHADMN C[C@H]1CN(Cc2cncc(Cl)c2)CC(C)(C)C1 ZINC001192501018 1122648597 /nfs/dbraw/zinc/64/85/97/1122648597.db2.gz LKUVRTIENYQHMD-LLVKDONJSA-N 0 1 252.789 3.603 20 0 CHADMN Cc1cc(F)cc2[nH]c(-c3cccc(F)c3F)nc21 ZINC001250480402 1122651894 /nfs/dbraw/zinc/65/18/94/1122651894.db2.gz IOGVFOFFZKRUEP-UHFFFAOYSA-N 0 1 262.234 3.956 20 0 CHADMN C[C@@H](NC[C@H]1CC1(Cl)Cl)c1cccc(F)c1F ZINC000775551590 1122661241 /nfs/dbraw/zinc/66/12/41/1122661241.db2.gz ZXHBUJXUBXWVCC-HTQZYQBOSA-N 0 1 280.145 3.809 20 0 CHADMN Cc1ccoc1CN(C)CCOc1cccc(Cl)c1 ZINC000506162731 1122663625 /nfs/dbraw/zinc/66/36/25/1122663625.db2.gz FAFQGJJWJPOWHV-UHFFFAOYSA-N 0 1 279.767 3.752 20 0 CHADMN CCc1cccc(C(=O)Nc2cc3n[nH]c(C)c3c(F)c2)c1 ZINC001192963300 1122665764 /nfs/dbraw/zinc/66/57/64/1122665764.db2.gz BVJIBGFBHPEKNA-UHFFFAOYSA-N 0 1 297.333 3.825 20 0 CHADMN CC[C@@]1(C)COCCN1C[C@H]1CCC2(CCCCCC2)O1 ZINC001192928184 1122666149 /nfs/dbraw/zinc/66/61/49/1122666149.db2.gz GZGJTSMXPPWLHP-SJORKVTESA-N 0 1 295.467 3.759 20 0 CHADMN C[C@H](CN1CCO[C@H](c2ccco2)C1)c1ccc(F)cc1 ZINC000438104164 1122677787 /nfs/dbraw/zinc/67/77/87/1122677787.db2.gz JXPGVRDLSOOSBZ-DYVFJYSZSA-N 0 1 289.350 3.596 20 0 CHADMN C[N@@H+](CCSc1cccc(Cl)c1)C[C@H]1CCCO1 ZINC001193095432 1122678952 /nfs/dbraw/zinc/67/89/52/1122678952.db2.gz YMDVXAOEMMSPPC-CYBMUJFWSA-N 0 1 285.840 3.543 20 0 CHADMN Cn1ncc(Cl)c1CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000438110776 1122679313 /nfs/dbraw/zinc/67/93/13/1122679313.db2.gz VRBZBOHGFIJLAG-GFCCVEGCSA-N 0 1 283.847 3.722 20 0 CHADMN C[C@H]1CCN(Cc2c(F)cccc2F)CC1(C)C ZINC001193210136 1122680617 /nfs/dbraw/zinc/68/06/17/1122680617.db2.gz KENMLVYRBIDXMD-NSHDSACASA-N 0 1 253.336 3.833 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCC[C@@]2(CCCOC2)C1 ZINC000438121898 1122682724 /nfs/dbraw/zinc/68/27/24/1122682724.db2.gz PSPPOVZELVYUNV-MRXNPFEDSA-N 0 1 297.801 3.872 20 0 CHADMN Cc1ccn2c(C[N@H+](C)Cc3cccc(C)c3)cnc2c1 ZINC000506204302 1122689774 /nfs/dbraw/zinc/68/97/74/1122689774.db2.gz JCXQILNYNOQPFY-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN Cc1ccn2c(CN(C)Cc3cccc(C)c3)cnc2c1 ZINC000506204302 1122689778 /nfs/dbraw/zinc/68/97/78/1122689778.db2.gz JCXQILNYNOQPFY-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN CCc1nnc(CN(C)[C@@H]2CCCC[C@H]2CC)s1 ZINC001193462371 1122691512 /nfs/dbraw/zinc/69/15/12/1122691512.db2.gz VFEZBJQHQNKRFV-VXGBXAGGSA-N 0 1 267.442 3.501 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2nccn2Cc2ccccc2)C1 ZINC000438341086 1122691791 /nfs/dbraw/zinc/69/17/91/1122691791.db2.gz ABVXXUQIIJFUCE-GOSISDBHSA-N 0 1 297.446 3.799 20 0 CHADMN C[C@@H]1CN(Cc2csc3ccccc23)[C@H](C)[C@H](C)O1 ZINC000438358315 1122693447 /nfs/dbraw/zinc/69/34/47/1122693447.db2.gz VAMQVBIEZCLHNO-UPJWGTAASA-N 0 1 275.417 3.899 20 0 CHADMN CCc1cnc(CN2CCCCC(C)(C)C2)s1 ZINC000438360780 1122693685 /nfs/dbraw/zinc/69/36/85/1122693685.db2.gz VGHSAJCFSWNACY-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN CCOC(=O)[C@@H](c1ccccc1)N1CCC[C@H](C(C)C)C1 ZINC001193497530 1122694017 /nfs/dbraw/zinc/69/40/17/1122694017.db2.gz RBSVGMFKLFVKJC-DLBZAZTESA-N 0 1 289.419 3.659 20 0 CHADMN CCc1nc(CN2CCCCC(C)(C)C2)cs1 ZINC000438366545 1122694175 /nfs/dbraw/zinc/69/41/75/1122694175.db2.gz QYKJZWHIFYIGFF-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN CCOC(=O)[C@H](c1ccccc1)N1CCC[C@@H](C(C)C)C1 ZINC001193497533 1122694259 /nfs/dbraw/zinc/69/42/59/1122694259.db2.gz RBSVGMFKLFVKJC-SJORKVTESA-N 0 1 289.419 3.659 20 0 CHADMN c1nc2c(s1)CN(Cc1cccc3ccccc31)CC2 ZINC000438367631 1122694910 /nfs/dbraw/zinc/69/49/10/1122694910.db2.gz OJTQRWHERZBREH-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)[C@@H](C)[C@H](C)O1 ZINC000438367647 1122694956 /nfs/dbraw/zinc/69/49/56/1122694956.db2.gz OPDBHOWUJCHQDI-WOPDTQHZSA-N 0 1 287.325 3.703 20 0 CHADMN CN(Cc1cccc(Cl)c1Cl)[C@@H]1CCSC1 ZINC000506222660 1122698918 /nfs/dbraw/zinc/69/89/18/1122698918.db2.gz ZPQTWZKFJNXOBS-SNVBAGLBSA-N 0 1 276.232 3.931 20 0 CHADMN CCC(CC)n1ccc(CN(C)[C@@H](C)C2(C)CC2)n1 ZINC000438538947 1122708702 /nfs/dbraw/zinc/70/87/02/1122708702.db2.gz DGHWDSDXPOICQZ-ZDUSSCGKSA-N 0 1 263.429 3.865 20 0 CHADMN CC(C)(C)CNc1cnc2cc(Br)ccn12 ZINC001161641973 1122708880 /nfs/dbraw/zinc/70/88/80/1122708880.db2.gz QSFKLKXYAODLFR-UHFFFAOYSA-N 0 1 282.185 3.555 20 0 CHADMN Cc1ccn2c(C[N@H+]3CCC[C@@H]3c3ccccc3)cnc2c1 ZINC000506285168 1122711320 /nfs/dbraw/zinc/71/13/20/1122711320.db2.gz ZBUAPFFVAIXWEW-GOSISDBHSA-N 0 1 291.398 3.980 20 0 CHADMN Cc1nnsc1CN[C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000293718643 1122717313 /nfs/dbraw/zinc/71/73/13/1122717313.db2.gz PKXBFEWRIYGXTB-HUUCEWRRSA-N 0 1 287.432 3.821 20 0 CHADMN CCC1(NC(=O)c2ccc(F)c(O)c2F)CCCCC1 ZINC001193792576 1122717514 /nfs/dbraw/zinc/71/75/14/1122717514.db2.gz BPHNAUSQHMXJSE-UHFFFAOYSA-N 0 1 283.318 3.513 20 0 CHADMN CC[C@@H]1CCCN(Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000509544792 1122729382 /nfs/dbraw/zinc/72/93/82/1122729382.db2.gz RDKSBARTZFXWCT-GFCCVEGCSA-N 0 1 291.826 3.849 20 0 CHADMN CC[C@H](C)N(Cc1ccccc1)Cn1cccnc1=S ZINC000193394340 1129074168 /nfs/dbraw/zinc/07/41/68/1129074168.db2.gz DOUDFGVEETXVQY-AWEZNQCLSA-N 0 1 287.432 3.871 20 0 CHADMN Cc1ccccc1[C@@H](N[C@H](C)c1cn(C)cn1)C1CC1 ZINC000925043228 1122741878 /nfs/dbraw/zinc/74/18/78/1122741878.db2.gz BYGSJSNSMMQTOO-DYVFJYSZSA-N 0 1 269.392 3.530 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000295259370 1122746602 /nfs/dbraw/zinc/74/66/02/1122746602.db2.gz RBPBHRICIZJBEP-OAUYIBNBSA-N 0 1 297.402 3.565 20 0 CHADMN CC1(C)CCCN(C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000775601708 1122751099 /nfs/dbraw/zinc/75/10/99/1122751099.db2.gz WYIUBXDFLBIDSX-CQSZACIVSA-N 0 1 285.790 3.635 20 0 CHADMN CCCCCCOC(=O)N=c1[nH]sc2ncccc21 ZINC001194162369 1122752719 /nfs/dbraw/zinc/75/27/19/1122752719.db2.gz JIFMGSZWUJECKG-UHFFFAOYSA-N 0 1 279.365 3.820 20 0 CHADMN CCCn1cc(CN(C)C/C(C)=C\c2ccccc2)cn1 ZINC000426392213 1122781374 /nfs/dbraw/zinc/78/13/74/1122781374.db2.gz XSUDMEVYOCRQGQ-WJDWOHSUSA-N 0 1 283.419 3.828 20 0 CHADMN CSCCCN(C)Cc1coc(-c2cccc(F)c2)n1 ZINC000439474129 1122782328 /nfs/dbraw/zinc/78/23/28/1122782328.db2.gz WXTIBDLLDMWJRS-UHFFFAOYSA-N 0 1 294.395 3.666 20 0 CHADMN CC1(C)CN(CCC2CCCC2)C[C@@H](C(F)(F)F)O1 ZINC001194590345 1122785114 /nfs/dbraw/zinc/78/51/14/1122785114.db2.gz WBGPWYHBKJPVBD-LBPRGKRZSA-N 0 1 279.346 3.608 20 0 CHADMN C[C@]1(F)CCCN(CCOC2CCCCCC2)C1 ZINC001194598503 1122785171 /nfs/dbraw/zinc/78/51/71/1122785171.db2.gz BKCZLPMAJCFGOG-HNNXBMFYSA-N 0 1 257.393 3.550 20 0 CHADMN Cc1nc2ccc(CN(C)CCC(F)(F)F)cc2s1 ZINC000426416733 1122790551 /nfs/dbraw/zinc/79/05/51/1122790551.db2.gz LIXKJGIABRDYLN-UHFFFAOYSA-N 0 1 288.338 3.989 20 0 CHADMN CCCc1csc(CN2CCC(CC)CC2)n1 ZINC000426419246 1122790558 /nfs/dbraw/zinc/79/05/58/1122790558.db2.gz ICMFKCSRPIDTTJ-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)NCCCCF)n2)cc1F ZINC000509601641 1122791189 /nfs/dbraw/zinc/79/11/89/1122791189.db2.gz HKCSQUCCRLCODN-NSHDSACASA-N 0 1 295.333 3.584 20 0 CHADMN Fc1cc(Cl)c2c(c1)CN(C1CCCC1)CC2 ZINC001194754155 1122793461 /nfs/dbraw/zinc/79/34/61/1122793461.db2.gz BGPNGAOIDKFWRY-UHFFFAOYSA-N 0 1 253.748 3.780 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H]3CCC[C@@H]32)cs1 ZINC000426469120 1122799737 /nfs/dbraw/zinc/79/97/37/1122799737.db2.gz HHPIOBVPZHLBRT-AAEUAGOBSA-N 0 1 250.411 3.641 20 0 CHADMN CCCCc1nc(CN2CC[C@H]3CCC[C@H]32)cs1 ZINC000426467195 1122800458 /nfs/dbraw/zinc/80/04/58/1122800458.db2.gz BLLDRCFKWRDWTG-TZMCWYRMSA-N 0 1 264.438 3.860 20 0 CHADMN CCn1nc(C)c(CN[C@H](C)c2ccccc2F)c1C ZINC000307973058 1129079405 /nfs/dbraw/zinc/07/94/05/1129079405.db2.gz YFEAWUNJUHGZJQ-LLVKDONJSA-N 0 1 275.371 3.510 20 0 CHADMN Cc1csc(CN[C@H]2C[C@H](C)c3ccccc32)n1 ZINC000265316747 1129080049 /nfs/dbraw/zinc/08/00/49/1129080049.db2.gz JUNWKXRZOFOCPX-HZMBPMFUSA-N 0 1 258.390 3.790 20 0 CHADMN CC(C)N(CCCCC(F)(F)F)CC(=O)OC(C)(C)C ZINC000153929892 1129079482 /nfs/dbraw/zinc/07/94/82/1129079482.db2.gz FMPQJFSVLZCMDB-UHFFFAOYSA-N 0 1 297.361 3.771 20 0 CHADMN CCc1sc(-c2nnc(CN(C)[C@H](C)CC)o2)cc1C ZINC000439945951 1122815255 /nfs/dbraw/zinc/81/52/55/1122815255.db2.gz AUMFTMZFQKRAAC-LLVKDONJSA-N 0 1 293.436 3.899 20 0 CHADMN COc1ccc(C)cc1CN(C)Cc1ccccc1N(C)C ZINC000506732785 1122818353 /nfs/dbraw/zinc/81/83/53/1122818353.db2.gz YJZVEJDOBTUKHR-UHFFFAOYSA-N 0 1 298.430 3.702 20 0 CHADMN CC[C@@H](NC[C@H](O)c1ccccc1Cl)c1nccs1 ZINC000080277572 1129080195 /nfs/dbraw/zinc/08/01/95/1129080195.db2.gz LQSIXKPJQBSZLF-OLZOCXBDSA-N 0 1 296.823 3.571 20 0 CHADMN CN(Cc1cn(C)nc1C1CCCCC1)[C@H]1CC1(C)C ZINC000426566713 1122823165 /nfs/dbraw/zinc/82/31/65/1122823165.db2.gz UBLBDDJBIDSQRK-HNNXBMFYSA-N 0 1 275.440 3.698 20 0 CHADMN CCCCCNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000426572239 1122824531 /nfs/dbraw/zinc/82/45/31/1122824531.db2.gz AERIYPIYMGZTOK-UHFFFAOYSA-N 0 1 297.811 3.712 20 0 CHADMN Cc1cc(C)c(CN(C)Cc2ccccc2N(C)C)c(C)n1 ZINC001194890244 1122824719 /nfs/dbraw/zinc/82/47/19/1122824719.db2.gz FKUMGEPUTUMXDK-UHFFFAOYSA-N 0 1 297.446 3.705 20 0 CHADMN CCC/C=C\c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000664789510 1122829106 /nfs/dbraw/zinc/82/91/06/1122829106.db2.gz BBDVXTNIXGKXDB-SREVYHEPSA-N 0 1 289.354 3.751 20 0 CHADMN c1nc2cc(-c3noc([C@@H]4CCC[C@@H]5C[C@@H]54)n3)ccc2[nH]1 ZINC000664791295 1122831622 /nfs/dbraw/zinc/83/16/22/1122831622.db2.gz FHJCEZMZHRDNAM-JLLWLGSASA-N 0 1 280.331 3.517 20 0 CHADMN Cc1cc(-c2noc([C@@H]3CCC[C@H]4C[C@H]43)n2)cc2nc[nH]c21 ZINC000664795205 1122835701 /nfs/dbraw/zinc/83/57/01/1122835701.db2.gz POKYKRGLRNYZKZ-CYZMBNFOSA-N 0 1 294.358 3.825 20 0 CHADMN C[C@@H](NCc1cn2ccccc2n1)c1cc2ccccc2[nH]1 ZINC000775632418 1122836343 /nfs/dbraw/zinc/83/63/43/1122836343.db2.gz MLVORBJURHNACM-CYBMUJFWSA-N 0 1 290.370 3.666 20 0 CHADMN C[C@H]1C[C@@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC001250614792 1122836582 /nfs/dbraw/zinc/83/65/82/1122836582.db2.gz JVDLJAMODQSWBX-FSPLSTOPSA-N 0 1 258.218 3.844 20 0 CHADMN Cc1ccoc1CNCc1ccc(OC(C)C)cc1 ZINC000266178753 1129085268 /nfs/dbraw/zinc/08/52/68/1129085268.db2.gz FQGKNFOPMZCSAB-UHFFFAOYSA-N 0 1 259.349 3.665 20 0 CHADMN CCc1onc(C)c1CNCc1ccc2[nH]c(C)cc2c1 ZINC000894436268 1122853153 /nfs/dbraw/zinc/85/31/53/1122853153.db2.gz RGZGVXRCYUVXMT-UHFFFAOYSA-N 0 1 283.375 3.625 20 0 CHADMN C[C@H](c1ccncc1)N(C)Cc1cccc2c1NCCC2 ZINC000894448065 1122854856 /nfs/dbraw/zinc/85/48/56/1122854856.db2.gz AKNDUODDKRHGKE-CQSZACIVSA-N 0 1 281.403 3.633 20 0 CHADMN CC(C)(C)OCCCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664826290 1122868051 /nfs/dbraw/zinc/86/80/51/1122868051.db2.gz PWBZZLAQGQCASZ-OAHLLOKOSA-N 0 1 276.424 3.670 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1c(C)ccnc1N ZINC000894564056 1122873321 /nfs/dbraw/zinc/87/33/21/1122873321.db2.gz ZVAHUYLYAMWTLD-KAMYIIQDSA-N 0 1 281.403 3.508 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(C)(C)C(C)(C)C)n[nH]1 ZINC000506850292 1122874038 /nfs/dbraw/zinc/87/40/38/1122874038.db2.gz FTMWKFUSYLOOLX-QWRGUYRKSA-N 0 1 294.443 3.568 20 0 CHADMN CC1(C)CN(CCOc2ccccc2)[C@@H]1c1ccncc1 ZINC000664833138 1122876668 /nfs/dbraw/zinc/87/66/68/1122876668.db2.gz QDHQSJLSKDOHAL-QGZVFWFLSA-N 0 1 282.387 3.544 20 0 CHADMN Clc1cc(Cl)cc(CN2CC[C@@H]3OCC[C@H]3C2)c1 ZINC001203811406 1122880443 /nfs/dbraw/zinc/88/04/43/1122880443.db2.gz VXLNKZWPKNJPDB-FZMZJTMJSA-N 0 1 286.202 3.604 20 0 CHADMN C[C@@]1(Cc2cccc(Cl)c2)CCCN1Cc1cc[nH]n1 ZINC001195758091 1122884747 /nfs/dbraw/zinc/88/47/47/1122884747.db2.gz QHCLNRUPCIDPHI-INIZCTEOSA-N 0 1 289.810 3.660 20 0 CHADMN Cc1ccc(CN2CC3(CC(OCc4ccccc4)C3)C2)o1 ZINC001203302189 1122884940 /nfs/dbraw/zinc/88/49/40/1122884940.db2.gz VSAOSUWGRNJECW-UHFFFAOYSA-N 0 1 297.398 3.769 20 0 CHADMN CCn1cc(CN[C@H](C)c2ccc(F)c(C)c2)c(C)n1 ZINC000894668010 1122887577 /nfs/dbraw/zinc/88/75/77/1122887577.db2.gz ORJOKCPMRVOVBX-GFCCVEGCSA-N 0 1 275.371 3.510 20 0 CHADMN c1nocc1Nc1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC001203240519 1122890759 /nfs/dbraw/zinc/89/07/59/1122890759.db2.gz SQJLLBICZUPXCS-UHFFFAOYSA-N 0 1 291.354 3.934 20 0 CHADMN CCOc1cc(F)c(CN(C)C2CCCC2)c(F)c1 ZINC001143574772 1122894723 /nfs/dbraw/zinc/89/47/23/1122894723.db2.gz JHZRZLIHRHCGCJ-UHFFFAOYSA-N 0 1 269.335 3.738 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1NCc1c[nH]cn1 ZINC000894746753 1122899396 /nfs/dbraw/zinc/89/93/96/1122899396.db2.gz WNMGSUQDCBCHSB-UHFFFAOYSA-N 0 1 284.407 3.711 20 0 CHADMN Cc1nc([C@H](C)NCc2ccc(C3CCCC3)cc2)n[nH]1 ZINC000894773497 1122903512 /nfs/dbraw/zinc/90/35/12/1122903512.db2.gz JMRNPQYOFZYIMA-LBPRGKRZSA-N 0 1 284.407 3.622 20 0 CHADMN Cc1ccccc1CCC[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440479982 1122911167 /nfs/dbraw/zinc/91/11/67/1122911167.db2.gz UEXZAUXLHBJWRW-UHFFFAOYSA-N 0 1 297.446 3.973 20 0 CHADMN Fc1ccc(Br)cc1CN(C1CC1)C1CC1 ZINC001196226476 1122913197 /nfs/dbraw/zinc/91/31/97/1122913197.db2.gz DPHDPISFMVXTAZ-UHFFFAOYSA-N 0 1 284.172 3.715 20 0 CHADMN CCCc1cccc(C[NH2+][C@@H](C(=O)[O-])c2cccs2)c1 ZINC000426792637 1122915845 /nfs/dbraw/zinc/91/58/45/1122915845.db2.gz NJRLWJLKUPCHIM-OAHLLOKOSA-N 0 1 289.400 3.616 20 0 CHADMN C[C@@H]1COC2(CCCC2)CN1CCSc1ccccc1 ZINC001196403017 1122920862 /nfs/dbraw/zinc/92/08/62/1122920862.db2.gz RNOKTTOZWQNISL-OAHLLOKOSA-N 0 1 291.460 3.812 20 0 CHADMN CN(Cc1c(F)ccc(O)c1F)C1CCCCCC1 ZINC000507052165 1122921046 /nfs/dbraw/zinc/92/10/46/1122921046.db2.gz MBYKJBAVYYFNKN-UHFFFAOYSA-N 0 1 269.335 3.825 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)c(F)cc1O ZINC001196453879 1122923756 /nfs/dbraw/zinc/92/37/56/1122923756.db2.gz PFSWPOICRFJRGX-RKDXNWHRSA-N 0 1 285.746 3.588 20 0 CHADMN CC[C@H](CN(C)Cc1nccn1C(F)F)c1ccccc1 ZINC000507101302 1122924600 /nfs/dbraw/zinc/92/46/00/1122924600.db2.gz CVIPPQZNMNVQBV-CYBMUJFWSA-N 0 1 293.361 3.904 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc(C2CCCC2)no1 ZINC000154383509 1129087070 /nfs/dbraw/zinc/08/70/70/1129087070.db2.gz GEXQZDGHXMURAT-SNPRPXQTSA-N 0 1 289.423 3.880 20 0 CHADMN Cc1c(CN2CCC[C@@H]2c2cccc(Cl)c2)cnn1C ZINC000507115514 1122925053 /nfs/dbraw/zinc/92/50/53/1122925053.db2.gz ITHXCBNCSMTNOD-MRXNPFEDSA-N 0 1 289.810 3.719 20 0 CHADMN CC(C)CCO[C@@H]1CC[N@H+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC001196517806 1122925196 /nfs/dbraw/zinc/92/51/96/1122925196.db2.gz FQTSEZLDPRKPCA-KURKYZTESA-N 0 1 291.410 3.819 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1cc(F)c(F)c(F)c1 ZINC000507118400 1122927623 /nfs/dbraw/zinc/92/76/23/1122927623.db2.gz CFEOYKYPXTYPQT-ZDUSSCGKSA-N 0 1 257.299 3.724 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)nc1 ZINC000507131802 1122928789 /nfs/dbraw/zinc/92/87/89/1122928789.db2.gz FKXUINRCPPLNQV-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1nccc(CN([C@@H](C)c2ccccc2)C2CC2)n1 ZINC000507159881 1122931289 /nfs/dbraw/zinc/93/12/89/1122931289.db2.gz JLOUEEOZMPYBIB-ZDUSSCGKSA-N 0 1 267.376 3.511 20 0 CHADMN Cc1ccc(O)c(N=C2CCC(C(F)(F)F)CC2)n1 ZINC001196766793 1122932125 /nfs/dbraw/zinc/93/21/25/1122932125.db2.gz GZJNTACHWGRVNW-VIFPVBQESA-N 0 1 272.270 3.754 20 0 CHADMN C[C@@H]1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000507166394 1122932346 /nfs/dbraw/zinc/93/23/46/1122932346.db2.gz WNIQENQTKHRAJE-LLVKDONJSA-N 0 1 276.767 3.837 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCC(C)(CC)CC2)n1 ZINC000507161895 1122932770 /nfs/dbraw/zinc/93/27/70/1122932770.db2.gz BJYAWYPFFWPBKA-CYBMUJFWSA-N 0 1 279.428 3.985 20 0 CHADMN CC(C)N(Cc1cnc2ccccn12)Cc1cccc(F)c1 ZINC000507172591 1122936725 /nfs/dbraw/zinc/93/67/25/1122936725.db2.gz FUYORDNAAWKEFA-UHFFFAOYSA-N 0 1 297.377 3.884 20 0 CHADMN C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2c(F)ccc(O)c2F)C1 ZINC000507190037 1122937418 /nfs/dbraw/zinc/93/74/18/1122937418.db2.gz YAQOQORWWBOOGH-GHMZBOCLSA-N 0 1 269.335 3.681 20 0 CHADMN Cc1nccc(C[N@H+](C)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000507190497 1122938042 /nfs/dbraw/zinc/93/80/42/1122938042.db2.gz LPKGGUNDRFHCAF-LLVKDONJSA-N 0 1 275.783 3.631 20 0 CHADMN Cc1nccc(CN(C)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000507190497 1122938043 /nfs/dbraw/zinc/93/80/43/1122938043.db2.gz LPKGGUNDRFHCAF-LLVKDONJSA-N 0 1 275.783 3.631 20 0 CHADMN CC[N@@H+](Cc1ccccc1OC1CCCC1)C1CC1 ZINC000507223020 1122940159 /nfs/dbraw/zinc/94/01/59/1122940159.db2.gz XPKXBYAHFMZNDH-UHFFFAOYSA-N 0 1 259.393 3.992 20 0 CHADMN Clc1ccc(Cl)c(CN2C[C@@H]3CC=CC[C@@H]3C2)n1 ZINC001197020498 1122943501 /nfs/dbraw/zinc/94/35/01/1122943501.db2.gz HGCNDGJIVBOKPN-PHIMTYICSA-N 0 1 283.202 3.786 20 0 CHADMN CCCCN(Cc1cnc([C@@H]2CCCO2)s1)C1CC1 ZINC000507245208 1122943709 /nfs/dbraw/zinc/94/37/09/1122943709.db2.gz WYLJDIUIZARAEO-AWEZNQCLSA-N 0 1 280.437 3.759 20 0 CHADMN c1nc(CN2CCC[C@H](C3CCC3)CC2)cs1 ZINC001197204159 1122948803 /nfs/dbraw/zinc/94/88/03/1122948803.db2.gz WWARWBATJNKCJF-ZDUSSCGKSA-N 0 1 250.411 3.545 20 0 CHADMN Cc1[nH]c(SCCC[C@@H](C)O)nc1Cc1ccccc1 ZINC000427288442 1122956756 /nfs/dbraw/zinc/95/67/56/1122956756.db2.gz PIJVNMYPOOPKHG-GFCCVEGCSA-N 0 1 290.432 3.562 20 0 CHADMN c1nc2c([nH]1)C1(CCC1)N(CC1CCCCCC1)CC2 ZINC001197438876 1122956981 /nfs/dbraw/zinc/95/69/81/1122956981.db2.gz KCCAGNIQUVTSJV-UHFFFAOYSA-N 0 1 273.424 3.617 20 0 CHADMN C[C@@H]1c2ccc(F)cc2CCN1CCOCC1CCC1 ZINC001197497297 1122958795 /nfs/dbraw/zinc/95/87/95/1122958795.db2.gz PLCZKPSJDHJBNB-CYBMUJFWSA-N 0 1 277.383 3.562 20 0 CHADMN CC[C@@H](C)N(C)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000154562035 1129089323 /nfs/dbraw/zinc/08/93/23/1129089323.db2.gz CJLSKRBZYXIZGO-SNVBAGLBSA-N 0 1 299.340 3.822 20 0 CHADMN Fc1ccc(F)c(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)c1 ZINC001197718937 1122965863 /nfs/dbraw/zinc/96/58/63/1122965863.db2.gz BSFLOHRKHIPNRD-QAPCUYQASA-N 0 1 285.337 3.738 20 0 CHADMN Cc1nc([C@@H]2CCCN2CCc2ccccc2F)[nH]c1C ZINC001197710568 1122967691 /nfs/dbraw/zinc/96/76/91/1122967691.db2.gz KWPWKCOLRNCFBS-INIZCTEOSA-N 0 1 287.382 3.545 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1ccncc1F ZINC000334182846 1122968929 /nfs/dbraw/zinc/96/89/29/1122968929.db2.gz FIKFDSPSQNFFDB-YVEFUNNKSA-N 0 1 270.351 3.867 20 0 CHADMN CCOc1cccc([C@H](C)NCc2ncccc2C)c1 ZINC000154639071 1129089925 /nfs/dbraw/zinc/08/99/25/1129089925.db2.gz GEUJPAHTMQHRHV-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN Brc1cncc([C@@H]2CCCN2CC2CCC2)c1 ZINC001198002033 1122977422 /nfs/dbraw/zinc/97/74/22/1122977422.db2.gz VBZBKWZPLULRFX-AWEZNQCLSA-N 0 1 295.224 3.781 20 0 CHADMN Cc1noc(C)c1CN[C@]1(C)CCCc2ccccc21 ZINC000334260208 1122978742 /nfs/dbraw/zinc/97/87/42/1122978742.db2.gz VXSIPKMMBPEDLY-QGZVFWFLSA-N 0 1 270.376 3.633 20 0 CHADMN Fc1ccc2ccc(CN[C@@H]3CCCC[C@@H]3F)nc2c1F ZINC001203313944 1122981546 /nfs/dbraw/zinc/98/15/46/1122981546.db2.gz FYJHSAKOOYJHAD-GXTWGEPZSA-N 0 1 294.320 3.883 20 0 CHADMN Cc1cccc2[nH]c(CN3CC[C@@]4(C)[C@@H](C3)C4(F)F)cc21 ZINC000668183757 1122985753 /nfs/dbraw/zinc/98/57/53/1122985753.db2.gz OKHRBAXRGYRPEH-CVEARBPZSA-N 0 1 290.357 3.953 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)N[C@H](C)C2(C)CC2)n1 ZINC001198406044 1122990542 /nfs/dbraw/zinc/99/05/42/1122990542.db2.gz DXZPKIGRLIBBDL-CHWSQXEVSA-N 0 1 285.391 3.884 20 0 CHADMN COc1cccc(-c2nc(CN(C)CC3CCC3)co2)c1 ZINC001198414508 1122990706 /nfs/dbraw/zinc/99/07/06/1122990706.db2.gz USQSDGVLHPXNKQ-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN Cc1cccc2c1CC[N@@H+](CCCOc1ccccc1)C2 ZINC000729477201 1122992090 /nfs/dbraw/zinc/99/20/90/1122992090.db2.gz DUDHCGWZLGZTMT-UHFFFAOYSA-N 0 1 281.399 3.822 20 0 CHADMN Cc1ccc(F)c(CN[C@H]2CCOC23CCCCC3)c1F ZINC001198397376 1122992830 /nfs/dbraw/zinc/99/28/30/1122992830.db2.gz LLPPMDBVPFNWJT-HNNXBMFYSA-N 0 1 295.373 3.855 20 0 CHADMN Cc1cccc(CC2CN(Cc3ccc(F)nc3C)C2)c1 ZINC000839131403 1122993851 /nfs/dbraw/zinc/99/38/51/1122993851.db2.gz JQRDPDCHAJGUDD-UHFFFAOYSA-N 0 1 284.378 3.512 20 0 CHADMN F[C@H]1CCCN(CCc2cccc(OC(F)(F)F)c2)C1 ZINC001198479282 1122995036 /nfs/dbraw/zinc/99/50/36/1122995036.db2.gz OGFFXJUFBCBZHO-LBPRGKRZSA-N 0 1 291.288 3.562 20 0 CHADMN Fc1ccc2c(c1)[C@H](N1CCC[C@H](F)C1)CCC2 ZINC001198479653 1122995207 /nfs/dbraw/zinc/99/52/07/1122995207.db2.gz SDTOWUBYZGTVPQ-DZGCQCFKSA-N 0 1 251.320 3.637 20 0 CHADMN Fc1ccc(CN[C@@H]2CCc3cc(Cl)ccc32)nc1 ZINC000334371595 1122999419 /nfs/dbraw/zinc/99/94/19/1122999419.db2.gz PZWUHPSZWJGPQY-OAHLLOKOSA-N 0 1 276.742 3.651 20 0 CHADMN C[C@@H]1CCC(F)(F)CN1C[C@@H]1CC2CCC1CC2 ZINC001198640638 1123003294 /nfs/dbraw/zinc/00/32/94/1123003294.db2.gz FLSFBXHZYHOBOS-RYSNWHEDSA-N 0 1 257.368 3.932 20 0 CHADMN Cc1ccc(F)c(CN2CCCC[C@H]2[C@@H]2CCCO2)c1F ZINC001198684696 1123006586 /nfs/dbraw/zinc/00/65/86/1123006586.db2.gz CXVMALSVSMTADM-HOTGVXAUSA-N 0 1 295.373 3.807 20 0 CHADMN CCOc1cc(F)c(CN2CC[C@@H](CC)C2)c(F)c1 ZINC001143580058 1123006960 /nfs/dbraw/zinc/00/69/60/1123006960.db2.gz UJAQFNAXYNISIA-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN CN(Cc1cccnc1)Cc1ccccc1CC(F)(F)F ZINC000638919158 1123007247 /nfs/dbraw/zinc/00/72/47/1123007247.db2.gz JKQOAVMCVLMEEM-UHFFFAOYSA-N 0 1 294.320 3.818 20 0 CHADMN CCc1ccc2c(c1)CCN(CCSC(F)(F)F)C2 ZINC001198821723 1123012447 /nfs/dbraw/zinc/01/24/47/1123012447.db2.gz VAVXCXITVCQBJW-UHFFFAOYSA-N 0 1 289.366 3.860 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CC[C@@H](C)[C@H]3C)n[nH]2)cc1C ZINC000440535605 1123012788 /nfs/dbraw/zinc/01/27/88/1123012788.db2.gz NURUQJCMZVFUAP-TZMCWYRMSA-N 0 1 297.402 3.564 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(C(C)(C)C)cc1 ZINC000032123138 1123014618 /nfs/dbraw/zinc/01/46/18/1123014618.db2.gz AZZHIPGKNFANFJ-CYBMUJFWSA-N 0 1 277.408 3.669 20 0 CHADMN Clc1cccc(CNCc2cc3cnccc3o2)c1 ZINC001198958531 1123016720 /nfs/dbraw/zinc/01/67/20/1123016720.db2.gz AQCNFGAOFUSQCQ-UHFFFAOYSA-N 0 1 272.735 3.771 20 0 CHADMN CC[C@H](F)CN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000440700330 1123019982 /nfs/dbraw/zinc/01/99/82/1123019982.db2.gz XCKGFMYELIBBPY-NSHDSACASA-N 0 1 287.325 3.556 20 0 CHADMN Cc1cc(F)c(CNCCO[C@@H]2CCCC[C@H]2C)c(F)c1 ZINC001199277255 1123028530 /nfs/dbraw/zinc/02/85/30/1123028530.db2.gz YQQYAEBIKFHCKE-CXAGYDPISA-N 0 1 297.389 3.958 20 0 CHADMN CC[C@H](F)CN1CCC[C@@H](c2nc(C)c(C)s2)C1 ZINC000440697084 1123030252 /nfs/dbraw/zinc/03/02/52/1123030252.db2.gz KYTMEAQLSOTEKS-OLZOCXBDSA-N 0 1 270.417 3.687 20 0 CHADMN CC[C@H](F)CN1CCC[C@H]1c1cc(OC)ccc1OC ZINC000440703877 1123031016 /nfs/dbraw/zinc/03/10/16/1123031016.db2.gz JTIBSNHMHGXUIY-WFASDCNBSA-N 0 1 281.371 3.589 20 0 CHADMN CCCN(CCCOC)Cc1c(F)cccc1Cl ZINC000519906303 1123036645 /nfs/dbraw/zinc/03/66/45/1123036645.db2.gz VYKIYEKQFLTIQH-UHFFFAOYSA-N 0 1 273.779 3.728 20 0 CHADMN C[C@@H](O)c1ccc(CNCc2cc3ccccc3o2)cc1 ZINC001199732816 1123037837 /nfs/dbraw/zinc/03/78/37/1123037837.db2.gz RNVMWPLIGTUZPO-CYBMUJFWSA-N 0 1 281.355 3.776 20 0 CHADMN Cc1coc(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)c1 ZINC000894888317 1123040808 /nfs/dbraw/zinc/04/08/08/1123040808.db2.gz MAOHJMIMVBGZNC-GHMZBOCLSA-N 0 1 261.287 3.751 20 0 CHADMN CC[C@H](F)CN1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000440797025 1123041612 /nfs/dbraw/zinc/04/16/12/1123041612.db2.gz MPWUBEJUWTZTIH-TYNCELHUSA-N 0 1 253.336 3.957 20 0 CHADMN Fc1cccc([C@@H]2CCN(Cc3ccc(Cl)nc3)C2)c1 ZINC000729481644 1123042867 /nfs/dbraw/zinc/04/28/67/1123042867.db2.gz WOGYDXWGPPLCGH-CQSZACIVSA-N 0 1 290.769 3.864 20 0 CHADMN CC(C)Cn1ccnc1CN[C@@H]1c2ccccc2C[C@H]1C ZINC000164789424 1123052118 /nfs/dbraw/zinc/05/21/18/1123052118.db2.gz BNMJSRMKTPLRMZ-KDOFPFPSSA-N 0 1 283.419 3.562 20 0 CHADMN CCc1ccc2c(c1)[C@H](NCc1ccccc1OC)CCO2 ZINC000082503432 1123054256 /nfs/dbraw/zinc/05/42/56/1123054256.db2.gz GOKANJUCCVQAQJ-QGZVFWFLSA-N 0 1 297.398 3.871 20 0 CHADMN Cc1sc(NC(=O)CN2C[C@H](C)C[C@@H](C)C2)c(C)c1C ZINC000441169044 1123063358 /nfs/dbraw/zinc/06/33/58/1123063358.db2.gz BFGOUNWXGNLOSD-GHMZBOCLSA-N 0 1 294.464 3.590 20 0 CHADMN C[C@@H](C1CC1)N(Cc1ccn(-c2ccc(F)cc2)n1)C1CC1 ZINC000441179103 1123064971 /nfs/dbraw/zinc/06/49/71/1123064971.db2.gz PEQDOJJMHNVEKP-ZDUSSCGKSA-N 0 1 299.393 3.774 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nnc(-c2ccccc2)s1 ZINC000155088957 1129097194 /nfs/dbraw/zinc/09/71/94/1129097194.db2.gz PYTGYDDDOIMRIT-CQSZACIVSA-N 0 1 287.432 3.970 20 0 CHADMN Cc1cc(Nc2ccncc2)n(-c2cccc(Cl)c2)n1 ZINC000082714625 1123081021 /nfs/dbraw/zinc/08/10/21/1123081021.db2.gz CLGSRRAZEQPQER-UHFFFAOYSA-N 0 1 284.750 3.973 20 0 CHADMN FC(F)(F)c1ccc2nc(N=C3CCSCC3)cn2c1 ZINC001201333341 1123089200 /nfs/dbraw/zinc/08/92/00/1123089200.db2.gz ZFEYKDRRCPEMMF-UHFFFAOYSA-N 0 1 299.321 3.786 20 0 CHADMN Cc1ncoc1CN1CCC[C@H]1c1ccc(F)cc1C ZINC000894940748 1123091200 /nfs/dbraw/zinc/09/12/00/1123091200.db2.gz JJZVYLYXVPOTDH-HNNXBMFYSA-N 0 1 274.339 3.768 20 0 CHADMN Cc1coc(CN[C@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000894969123 1123094891 /nfs/dbraw/zinc/09/48/91/1123094891.db2.gz HZNYSZOVHPPYCW-GOSISDBHSA-N 0 1 299.414 3.972 20 0 CHADMN CC(C)(C)CN1CCc2cc(Br)ccc2C1 ZINC001201433340 1123096199 /nfs/dbraw/zinc/09/61/99/1123096199.db2.gz WVBJVZIURZIDPT-UHFFFAOYSA-N 0 1 282.225 3.853 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@H](COC)c2ccco2)C1(CC)CC ZINC000776162793 1123096370 /nfs/dbraw/zinc/09/63/70/1123096370.db2.gz LYLAFUFEUXUBQU-FVQBIDKESA-N 0 1 295.423 3.541 20 0 CHADMN C[C@H](NCc1ccc(Cl)s1)C(=O)Nc1ccccc1 ZINC000070211603 1123105745 /nfs/dbraw/zinc/10/57/45/1123105745.db2.gz DQKMHMIGJMMSFO-JTQLQIEISA-N 0 1 294.807 3.518 20 0 CHADMN CC(C)(C)CN1CCO[C@](C)(c2ccc(Cl)cc2)C1 ZINC001201443929 1123105914 /nfs/dbraw/zinc/10/59/14/1123105914.db2.gz YHUDWJXREWESDJ-INIZCTEOSA-N 0 1 281.827 3.934 20 0 CHADMN CCCOc1ccc(Cl)cc1Nc1c(C)ncn1C ZINC001201444605 1123106975 /nfs/dbraw/zinc/10/69/75/1123106975.db2.gz XVJNILDFTRNZDR-UHFFFAOYSA-N 0 1 279.771 3.914 20 0 CHADMN CCCCC[N@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000441435510 1123123743 /nfs/dbraw/zinc/12/37/43/1123123743.db2.gz CIOSKCHOYGAHQS-NVXWUHKLSA-N 0 1 261.409 3.947 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1ccc2[nH]ccc2c1 ZINC000229661056 1123124395 /nfs/dbraw/zinc/12/43/95/1123124395.db2.gz LUQOWUVOTSYHLY-SNVBAGLBSA-N 0 1 269.348 3.624 20 0 CHADMN CCCC[C@H](CC)CN1CCO[C@@H](c2ccncc2)C1 ZINC001201568653 1123125887 /nfs/dbraw/zinc/12/58/87/1123125887.db2.gz VPVYCBYEOQWQNT-DOTOQJQBSA-N 0 1 276.424 3.671 20 0 CHADMN O=C(CN1CCC[C@@H]2CCC[C@@H]21)Nc1cccc(Cl)c1 ZINC000441446222 1123128605 /nfs/dbraw/zinc/12/86/05/1123128605.db2.gz KGGPGVMJDMIVPE-WFASDCNBSA-N 0 1 292.810 3.543 20 0 CHADMN Cc1sc(NC(=O)CN2CCC[C@@H](C)[C@@H]2C)c(C)c1C ZINC000441453772 1123129304 /nfs/dbraw/zinc/12/93/04/1123129304.db2.gz ZOIVVMHUHIXZGM-MFKMUULPSA-N 0 1 294.464 3.732 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)CCC3CC3)n[nH]2)cc1C ZINC000188835324 1123129487 /nfs/dbraw/zinc/12/94/87/1123129487.db2.gz HCACVCCYPLKVNR-UHFFFAOYSA-N 0 1 297.402 3.566 20 0 CHADMN CC(C)CCN1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC001201613480 1123132075 /nfs/dbraw/zinc/13/20/75/1123132075.db2.gz JZDJGQZIEICVRV-KRWDZBQOSA-N 0 1 289.419 3.630 20 0 CHADMN CC(C)CC[N@H+]1CCO[C@](C)(c2ccc(Cl)cc2)C1 ZINC001201624014 1123132642 /nfs/dbraw/zinc/13/26/42/1123132642.db2.gz JYIUABJJSVDRTG-INIZCTEOSA-N 0 1 281.827 3.934 20 0 CHADMN CSCCN1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000536343135 1123133001 /nfs/dbraw/zinc/13/30/01/1123133001.db2.gz CVVHSODUMQYYRY-LBPRGKRZSA-N 0 1 285.840 3.546 20 0 CHADMN Cc1cccc([C@H](C)NCc2cn3cccc(F)c3n2)c1 ZINC001201627200 1123133120 /nfs/dbraw/zinc/13/31/20/1123133120.db2.gz UBRSELJRGBRLSF-ZDUSSCGKSA-N 0 1 283.350 3.633 20 0 CHADMN CCCN1[C@@H](C(=O)OCC)CCC[C@H]1c1ccccc1 ZINC001201648362 1123136085 /nfs/dbraw/zinc/13/60/85/1123136085.db2.gz VDEIDYBMFIQGTL-JKSUJKDBSA-N 0 1 275.392 3.555 20 0 CHADMN OCC[C@@H](NCc1nccc2ccccc21)c1cccs1 ZINC000776208817 1123146881 /nfs/dbraw/zinc/14/68/81/1123146881.db2.gz LFMWMVXOANWQNE-OAHLLOKOSA-N 0 1 298.411 3.510 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccncc1F)CC2 ZINC000334503213 1123147867 /nfs/dbraw/zinc/14/78/67/1123147867.db2.gz LWINQJHGLXKVTK-PXAZEXFGSA-N 0 1 270.351 3.867 20 0 CHADMN C[C@H]1OCC[C@@]1(C)NCc1csc(Cl)c1Cl ZINC000336780579 1123197426 /nfs/dbraw/zinc/19/74/26/1123197426.db2.gz RRVIDDFNPHGCRY-RDDDGLTNSA-N 0 1 280.220 3.712 20 0 CHADMN Clc1cncc(Cl)c1CNC1Cc2ccccc2C1 ZINC001201900977 1123156923 /nfs/dbraw/zinc/15/69/23/1123156923.db2.gz KDQZWYUNSGRTSY-UHFFFAOYSA-N 0 1 293.197 3.645 20 0 CHADMN CCN(C(=O)C[N@@H+](C)[C@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000520528349 1123168419 /nfs/dbraw/zinc/16/84/19/1123168419.db2.gz CNNKJKTWZLKROX-WBVHZDCISA-N 0 1 288.435 3.550 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2ccc(Cl)cc2)n1 ZINC000155520648 1129103652 /nfs/dbraw/zinc/10/36/52/1129103652.db2.gz HLGHRIHPZPEVBI-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN CC[C@H](N[C@H](C)c1ccccn1)c1ccc2c(c1)OCCO2 ZINC000152346552 1123178124 /nfs/dbraw/zinc/17/81/24/1123178124.db2.gz PVGZXXAXHLMBHK-HIFRSBDPSA-N 0 1 298.386 3.655 20 0 CHADMN CCC[C@@H](NCc1cc[nH]n1)c1cc(C)sc1C ZINC000623889560 1123178924 /nfs/dbraw/zinc/17/89/24/1123178924.db2.gz PWDAZIZUYAUXTA-CQSZACIVSA-N 0 1 263.410 3.719 20 0 CHADMN CCC[C@H](NCc1cc[nH]n1)c1cc(C)sc1C ZINC000623889559 1123179207 /nfs/dbraw/zinc/17/92/07/1123179207.db2.gz PWDAZIZUYAUXTA-AWEZNQCLSA-N 0 1 263.410 3.719 20 0 CHADMN Cc1ccccc1Cc1nnc(CN[C@H]2CCCC2(C)C)o1 ZINC000191855506 1123182427 /nfs/dbraw/zinc/18/24/27/1123182427.db2.gz ANZWTVWTJNDZEV-HNNXBMFYSA-N 0 1 299.418 3.637 20 0 CHADMN C[C@@H](CC(=O)Nc1ccc2nc[nH]c2c1)CC(C)(C)C ZINC000620902778 1129104241 /nfs/dbraw/zinc/10/42/41/1129104241.db2.gz ZMKOYGXWYURXAZ-NSHDSACASA-N 0 1 273.380 3.964 20 0 CHADMN CC(C)CC[C@H]1CCCN1C(=O)c1[nH]nc2ccccc21 ZINC000155613689 1129104624 /nfs/dbraw/zinc/10/46/24/1129104624.db2.gz LDQMKVUTFHPFFR-CYBMUJFWSA-N 0 1 285.391 3.604 20 0 CHADMN CCC1(CC)CCC(NCc2nn(C)cc2Cl)CC1 ZINC001202234011 1123191576 /nfs/dbraw/zinc/19/15/76/1123191576.db2.gz PURJJDHOWRFPEI-UHFFFAOYSA-N 0 1 283.847 3.912 20 0 CHADMN Cc1ccc(O[C@H]2CCCN(CCC(F)(F)F)C2)cc1 ZINC001202346957 1123197076 /nfs/dbraw/zinc/19/70/76/1123197076.db2.gz FIMYMZCXIWKLQU-AWEZNQCLSA-N 0 1 287.325 3.791 20 0 CHADMN O=C(Nc1ccc(F)cc1)Nc1cccc(Cl)c1O ZINC001202355895 1123201132 /nfs/dbraw/zinc/20/11/32/1123201132.db2.gz ZDYWCPWGDABKMG-UHFFFAOYSA-N 0 1 280.686 3.829 20 0 CHADMN Cc1nc(CN(C)CC2CCOCC2)sc1C(C)(C)C ZINC000930154246 1123203359 /nfs/dbraw/zinc/20/33/59/1123203359.db2.gz BJGVVIRUCINASK-UHFFFAOYSA-N 0 1 296.480 3.607 20 0 CHADMN COc1ccc(NC(=O)Nc2cccc(Cl)c2O)cc1 ZINC001202394077 1123206933 /nfs/dbraw/zinc/20/69/33/1123206933.db2.gz HGPVROUCKJLUAA-UHFFFAOYSA-N 0 1 292.722 3.698 20 0 CHADMN CC[C@H]1C[C@H](CN(CC)Cc2c(F)cccc2F)CCO1 ZINC000507800110 1123208702 /nfs/dbraw/zinc/20/87/02/1123208702.db2.gz YINVSAQFWDJBDT-KGLIPLIRSA-N 0 1 297.389 3.992 20 0 CHADMN c1n[nH]nc1SCc1ccc(-c2ccccc2)cc1 ZINC000155866039 1129107065 /nfs/dbraw/zinc/10/70/65/1129107065.db2.gz KKCMBTBYZJVPMF-UHFFFAOYSA-N 0 1 267.357 3.764 20 0 CHADMN CN(Cc1csc(C2CCCC2)n1)CC1CCOCC1 ZINC000155863665 1129107180 /nfs/dbraw/zinc/10/71/80/1129107180.db2.gz OGMDWYFQYAIHST-UHFFFAOYSA-N 0 1 294.464 3.659 20 0 CHADMN CCCC[C@H](C)N(C)Cc1ccn(-c2ccccc2)n1 ZINC000579650530 1123237365 /nfs/dbraw/zinc/23/73/65/1123237365.db2.gz JSYVNTPPIILONG-HNNXBMFYSA-N 0 1 271.408 3.883 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1ccn(-c2ccccc2)n1 ZINC000579650531 1123237889 /nfs/dbraw/zinc/23/78/89/1123237889.db2.gz JSYVNTPPIILONG-OAHLLOKOSA-N 0 1 271.408 3.883 20 0 CHADMN CCn1nccc1CN1CCC[C@H]1/C=C\c1ccccc1 ZINC000507881706 1123244707 /nfs/dbraw/zinc/24/47/07/1123244707.db2.gz HSGSBQIUGWEQAA-MQNTZWLQSA-N 0 1 281.403 3.581 20 0 CHADMN CC(C)[C@H](C)CN[C@H](c1nccn1C)c1cccc(F)c1 ZINC000507918312 1123247797 /nfs/dbraw/zinc/24/77/97/1123247797.db2.gz MIINKUCPPUSMAR-CJNGLKHVSA-N 0 1 289.398 3.530 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](C)c2cnc(C)cn2)cc1 ZINC000427826715 1123252839 /nfs/dbraw/zinc/25/28/39/1123252839.db2.gz OXYZFFGBARUETD-KGLIPLIRSA-N 0 1 269.392 3.759 20 0 CHADMN Cc1cnc([C@@H](C)N[C@@H](C)c2ccc(Cl)cc2)cn1 ZINC000427825194 1123252985 /nfs/dbraw/zinc/25/29/85/1123252985.db2.gz KIMMTIDJKVAJKN-NWDGAFQWSA-N 0 1 275.783 3.850 20 0 CHADMN Fc1ccc(C(F)(F)F)cc1CN[C@@H]1C=CCC1 ZINC000850358791 1123256389 /nfs/dbraw/zinc/25/63/89/1123256389.db2.gz LMTHKUUAIQEVTN-LLVKDONJSA-N 0 1 259.246 3.653 20 0 CHADMN C1=C[C@H](NCc2ccc(Sc3ccccn3)o2)CC1 ZINC000850358998 1123256403 /nfs/dbraw/zinc/25/64/03/1123256403.db2.gz RPLGYLGLRHNXLO-LBPRGKRZSA-N 0 1 272.373 3.634 20 0 CHADMN CC(C)Oc1ccccc1CN[C@@H]1C[C@@H](O)c2ccccc21 ZINC000850368887 1123258431 /nfs/dbraw/zinc/25/84/31/1123258431.db2.gz GIRVUYRDUBPLNA-QZTJIDSGSA-N 0 1 297.398 3.742 20 0 CHADMN C[C@@H](C1CC1)N(Cc1c(F)cccc1F)C1CC1 ZINC000508037662 1123259164 /nfs/dbraw/zinc/25/91/64/1123259164.db2.gz ISHKCWAOZANNKY-JTQLQIEISA-N 0 1 251.320 3.728 20 0 CHADMN CC(C)CCn1cccc1CN[C@@H]1C[C@H](O)c2ccccc21 ZINC000850372743 1123259286 /nfs/dbraw/zinc/25/92/86/1123259286.db2.gz YICOSDCWISKWIB-MOPGFXCFSA-N 0 1 298.430 3.802 20 0 CHADMN COCc1csc(C[NH2+]Cc2ccc([O-])c(Cl)c2)c1 ZINC000850377657 1123260039 /nfs/dbraw/zinc/26/00/39/1123260039.db2.gz MTJOPQBURMKVCL-UHFFFAOYSA-N 0 1 297.807 3.543 20 0 CHADMN CC(C)[C@@H](Oc1nc2ccc(F)cc2[nH]1)C(F)(F)F ZINC001226701191 1123260047 /nfs/dbraw/zinc/26/00/47/1123260047.db2.gz MFPRFHLVKPYDRR-SNVBAGLBSA-N 0 1 276.233 3.668 20 0 CHADMN COc1ccccc1CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000850420575 1123264368 /nfs/dbraw/zinc/26/43/68/1123264368.db2.gz PLZOBXSYXAIZJX-CQSZACIVSA-N 0 1 297.398 3.871 20 0 CHADMN COc1cc([C@@H](C)N[C@H](C)c2cc3cnccc3o2)ccn1 ZINC000850469417 1123271598 /nfs/dbraw/zinc/27/15/98/1123271598.db2.gz RKLJBZLYWWSMIP-VXGBXAGGSA-N 0 1 297.358 3.643 20 0 CHADMN Cc1cc(CN(C2CC2)[C@@H]2CCCc3ccccc32)nn1C ZINC000487408916 1123273177 /nfs/dbraw/zinc/27/31/77/1123273177.db2.gz COJXOVKKZIYLCL-LJQANCHMSA-N 0 1 295.430 3.771 20 0 CHADMN COc1ccc([C@@H](C)N[C@H]2C=CCC2)c(Br)c1 ZINC000850508526 1123277092 /nfs/dbraw/zinc/27/70/92/1123277092.db2.gz JUFACHOYKAUXLP-MNOVXSKESA-N 0 1 296.208 3.827 20 0 CHADMN Cc1cc([C@@H](C)NC[C@H](O)c2cccc3ccccc32)no1 ZINC000850517082 1123278704 /nfs/dbraw/zinc/27/87/04/1123278704.db2.gz QBOACMKZMOZIDK-ACJLOTCBSA-N 0 1 296.370 3.520 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](c2ccccc2F)C(C)C)n(C)n1 ZINC000850516326 1123279184 /nfs/dbraw/zinc/27/91/84/1123279184.db2.gz AOTIMPNWTLGKQB-DYVFJYSZSA-N 0 1 289.398 3.916 20 0 CHADMN CCCc1nc(C)c(CN(C)[C@H]2C[C@H](OCC)C2(C)C)o1 ZINC000428224235 1123280346 /nfs/dbraw/zinc/28/03/46/1123280346.db2.gz ZESOPPXBWRIQKI-GJZGRUSLSA-N 0 1 294.439 3.571 20 0 CHADMN O[C@@H]1C[C@H](N[C@@H]2CCCOc3ccccc32)c2ccccc21 ZINC000850528965 1123282974 /nfs/dbraw/zinc/28/29/74/1123282974.db2.gz ONKLWEIULMVUNB-FGTMMUONSA-N 0 1 295.382 3.668 20 0 CHADMN CCc1nc(C)c(CN2C[C@H](C)[C@@H]2c2ccccc2)o1 ZINC000428221597 1123283823 /nfs/dbraw/zinc/28/38/23/1123283823.db2.gz UKHQGVXKCZUTNY-YVEFUNNKSA-N 0 1 270.376 3.738 20 0 CHADMN CCOc1ccc(-c2nc(CN(CC)C(C)C)co2)cc1 ZINC000156272391 1129111543 /nfs/dbraw/zinc/11/15/43/1129111543.db2.gz OWUAQGLGLBTVKP-UHFFFAOYSA-N 0 1 288.391 3.971 20 0 CHADMN Cc1cc(CN(Cc2ccccc2)[C@H](C)C2CC2)nn1C ZINC000487413268 1123294036 /nfs/dbraw/zinc/29/40/36/1123294036.db2.gz LGCMBTOEJBGJFM-OAHLLOKOSA-N 0 1 283.419 3.529 20 0 CHADMN CC[C@H](NCc1cnc(F)cc1C)c1ccccc1F ZINC000895147732 1123294123 /nfs/dbraw/zinc/29/41/23/1123294123.db2.gz WGGWJPHJANKGTQ-HNNXBMFYSA-N 0 1 276.330 3.909 20 0 CHADMN C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000074353276 1123301216 /nfs/dbraw/zinc/30/12/16/1123301216.db2.gz RHJZVNGZDDMFGM-DYVFJYSZSA-N 0 1 295.386 3.744 20 0 CHADMN CC(C)(NC[C@H]1CCC2(CCCCC2)O1)c1nccs1 ZINC000190993260 1123313879 /nfs/dbraw/zinc/31/38/79/1123313879.db2.gz KHIXQEGLGLPBSM-CYBMUJFWSA-N 0 1 294.464 3.850 20 0 CHADMN Cc1ccc2ncc(CN3CCCC[C@]3(C)C(N)=O)cc2c1 ZINC000335177141 1123316432 /nfs/dbraw/zinc/31/64/32/1123316432.db2.gz JVJIUVADAHHEHP-GOSISDBHSA-N 0 1 297.402 3.823 20 0 CHADMN Cc1cc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)ccn1 ZINC000335163543 1123317222 /nfs/dbraw/zinc/31/72/22/1123317222.db2.gz JDXBILKXNCXBCD-QGZVFWFLSA-N 0 1 294.398 3.926 20 0 CHADMN Cc1cc(CN[C@@H]2CCCOc3ccc(F)cc32)ccn1 ZINC000335164119 1123317958 /nfs/dbraw/zinc/31/79/58/1123317958.db2.gz MPURRJRQHVLKNB-MRXNPFEDSA-N 0 1 286.350 3.533 20 0 CHADMN Cc1cc(-c2nnc(CN3CC(C)(C)C[C@H]3C)o2)c(C)o1 ZINC000335189120 1123320590 /nfs/dbraw/zinc/32/05/90/1123320590.db2.gz JTBGJDMIZDNWJA-SNVBAGLBSA-N 0 1 289.379 3.567 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)N1CC(C)(C)C[C@H]1C ZINC000335188477 1123320949 /nfs/dbraw/zinc/32/09/49/1123320949.db2.gz IUGUGBSSHGOLJO-MNOVXSKESA-N 0 1 291.420 3.980 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)N1CC(C)(C)C[C@H]1C ZINC000335188476 1123321058 /nfs/dbraw/zinc/32/10/58/1123321058.db2.gz IUGUGBSSHGOLJO-GHMZBOCLSA-N 0 1 291.420 3.980 20 0 CHADMN Cc1cnc([C@H](C)NC[C@@H]2CCC3(CCCCC3)O2)s1 ZINC000191021405 1123321500 /nfs/dbraw/zinc/32/15/00/1123321500.db2.gz ONTQZEJBCZRXPN-KBPBESRZSA-N 0 1 294.464 3.984 20 0 CHADMN Cc1cnc([C@@H](C)N2CCSC3(CCCCC3)C2)cn1 ZINC000335211753 1123322774 /nfs/dbraw/zinc/32/27/74/1123322774.db2.gz FCTWZRHNLNXAIU-CQSZACIVSA-N 0 1 291.464 3.598 20 0 CHADMN Cc1ncc(CN[C@@H]2CC[C@@H](C)c3ccsc32)o1 ZINC000335181360 1123324442 /nfs/dbraw/zinc/32/44/42/1123324442.db2.gz PBNFCPPICRPNNT-NOZJJQNGSA-N 0 1 262.378 3.773 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)Nc2csc(C)c2)o1 ZINC000634425175 1129114117 /nfs/dbraw/zinc/11/41/17/1129114117.db2.gz YZHLKDHDSZBULP-UHFFFAOYSA-N 0 1 292.404 3.744 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1cncc(C)c1)[C@@H]2C ZINC000442900844 1123349564 /nfs/dbraw/zinc/34/95/64/1123349564.db2.gz QEMRDRBJBGHNPX-HUUCEWRRSA-N 0 1 296.414 3.906 20 0 CHADMN CC(C)CCc1noc([C@H](C)N2[C@H](C)CC[C@H]2C)n1 ZINC000443083676 1123354752 /nfs/dbraw/zinc/35/47/52/1123354752.db2.gz FEHMGYSMSWFEGZ-UPJWGTAASA-N 0 1 265.401 3.592 20 0 CHADMN CCCN1CCC[C@@H]1c1nc(CCCc2ccccc2)no1 ZINC000443101469 1123357299 /nfs/dbraw/zinc/35/72/99/1123357299.db2.gz ZPTHQYNNDGEAFO-MRXNPFEDSA-N 0 1 299.418 3.792 20 0 CHADMN CCc1ccc(CN(CCOC)[C@@H](C)c2ccccc2)nc1 ZINC000338937907 1123362803 /nfs/dbraw/zinc/36/28/03/1123362803.db2.gz HVSBWVJJEHMBHU-INIZCTEOSA-N 0 1 298.430 3.854 20 0 CHADMN CO[C@@H](C)CN[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000443208445 1123363827 /nfs/dbraw/zinc/36/38/27/1123363827.db2.gz BMUVNKLOBUAJHF-UGSOOPFHSA-N 0 1 296.370 3.542 20 0 CHADMN C[C@H](Nc1cc2c(cn1)CCCC2)c1cccnc1 ZINC000335437369 1123369080 /nfs/dbraw/zinc/36/90/80/1123369080.db2.gz ZRSHFKVOWZAAOM-LBPRGKRZSA-N 0 1 253.349 3.529 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1Cc1cccc(F)n1 ZINC000851818871 1123383273 /nfs/dbraw/zinc/38/32/73/1123383273.db2.gz ZDJNEUFNZZAHHI-CQSZACIVSA-N 0 1 250.361 3.765 20 0 CHADMN FC(F)OCC[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000851824566 1123383531 /nfs/dbraw/zinc/38/35/31/1123383531.db2.gz WGVVOAYZKZIWOB-ZDUSSCGKSA-N 0 1 294.345 3.587 20 0 CHADMN C[C@@H](NCc1cccc(F)n1)c1cccc(N2CCCC2)c1 ZINC000851905990 1123388528 /nfs/dbraw/zinc/38/85/28/1123388528.db2.gz KOQGSHSOJYHMPT-CQSZACIVSA-N 0 1 299.393 3.672 20 0 CHADMN Cc1nc(CN[C@@H](C)Cc2coc3ccccc23)cs1 ZINC000648412635 1123389648 /nfs/dbraw/zinc/38/96/48/1123389648.db2.gz AJMWQHBCNHJBFB-NSHDSACASA-N 0 1 286.400 3.919 20 0 CHADMN C[C@@H](c1nc(C2CCCC2)no1)N1[C@H](C)CC[C@@H]1C ZINC000191164913 1123392080 /nfs/dbraw/zinc/39/20/80/1123392080.db2.gz OJVYZQLFIWWOQT-TUAOUCFPSA-N 0 1 263.385 3.661 20 0 CHADMN C[C@@H](c1nc(C2CCCC2)no1)N1[C@H](C)CC[C@H]1C ZINC000191164942 1123392231 /nfs/dbraw/zinc/39/22/31/1123392231.db2.gz OJVYZQLFIWWOQT-UTUOFQBUSA-N 0 1 263.385 3.661 20 0 CHADMN CCCC1=NN(c2ncccc2C(F)(F)F)C(=O)[C@@H]1CC ZINC000634589066 1129118822 /nfs/dbraw/zinc/11/88/22/1129118822.db2.gz NCCIYQBUAUESJW-SECBINFHSA-N 0 1 299.296 3.629 20 0 CHADMN Cc1ccccc1[C@@H](C)N(Cc1cnon1)CC(C)C ZINC000852024562 1123394286 /nfs/dbraw/zinc/39/42/86/1123394286.db2.gz YFLKDYMBGNANJD-CQSZACIVSA-N 0 1 273.380 3.597 20 0 CHADMN C[C@H](NCC=C(Cl)Cl)[C@@H]1OCCc2sccc21 ZINC000852078969 1123395767 /nfs/dbraw/zinc/39/57/67/1123395767.db2.gz XICBBKLJXBZJPT-UFBFGSQYSA-N 0 1 292.231 3.659 20 0 CHADMN Cc1cc(-c2csc([C@H](C)N)n2)cc(C)c1F ZINC000335683429 1123398215 /nfs/dbraw/zinc/39/82/15/1123398215.db2.gz VFXWNNBQDVMATO-VIFPVBQESA-N 0 1 250.342 3.586 20 0 CHADMN CC(C)(C)O[C@H]1C[C@@H](NCc2cc(C3CC3)no2)C1(C)C ZINC000852165092 1123399035 /nfs/dbraw/zinc/39/90/35/1123399035.db2.gz ZBIDMZNFMHPXBU-CABCVRRESA-N 0 1 292.423 3.624 20 0 CHADMN COC[C@@H](N[C@@H](C)c1cccc(O)c1)c1ccc(F)cc1 ZINC000442862851 1123400296 /nfs/dbraw/zinc/40/02/96/1123400296.db2.gz WBJOLWLZYCULCW-YVEFUNNKSA-N 0 1 289.350 3.570 20 0 CHADMN CC[C@]1(C)CN([C@@H](C)c2ccc(OC(F)F)cc2)CCO1 ZINC000442869499 1123401860 /nfs/dbraw/zinc/40/18/60/1123401860.db2.gz BJISAHNYQVNALF-BLLLJJGKSA-N 0 1 299.361 3.850 20 0 CHADMN Cc1cc(F)cc(CN(C)CCC(=O)c2ccccc2)c1 ZINC001143590049 1123404527 /nfs/dbraw/zinc/40/45/27/1123404527.db2.gz MMAHGHQTJCMHJC-UHFFFAOYSA-N 0 1 285.362 3.839 20 0 CHADMN C[C@@H](NC1CCC(c2ccccc2)CC1)c1csnn1 ZINC000398466607 1123406382 /nfs/dbraw/zinc/40/63/82/1123406382.db2.gz LEKIQJQYFIMGGL-LRVUVFPRSA-N 0 1 287.432 3.915 20 0 CHADMN C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cccc([O-])c1Cl ZINC000328276853 1123411920 /nfs/dbraw/zinc/41/19/20/1123411920.db2.gz XZYJPDYOLJVTPC-WDEREUQCSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cccc([O-])c1Cl ZINC000328276853 1123411922 /nfs/dbraw/zinc/41/19/22/1123411922.db2.gz XZYJPDYOLJVTPC-WDEREUQCSA-N 0 1 253.773 3.666 20 0 CHADMN CC[C@@H]1CCC[C@H](C)N1Cc1nnc(C(C)(C)C)o1 ZINC000852712771 1123413909 /nfs/dbraw/zinc/41/39/09/1123413909.db2.gz VYFSYFMSZJLNPD-NWDGAFQWSA-N 0 1 265.401 3.520 20 0 CHADMN CCC1=NN([C@H](C)c2ccc(Cl)cc2)C(=O)[C@H]1C ZINC000634601562 1129120050 /nfs/dbraw/zinc/12/00/50/1129120050.db2.gz QBHNTFWRGMJLQZ-VHSXEESVSA-N 0 1 264.756 3.645 20 0 CHADMN CCc1[nH]n([C@H](C)c2ccc(Cl)cc2)c(=O)c1C ZINC000634601562 1129120052 /nfs/dbraw/zinc/12/00/52/1129120052.db2.gz QBHNTFWRGMJLQZ-VHSXEESVSA-N 0 1 264.756 3.645 20 0 CHADMN Cc1ccnc(CN2CCC[C@H](C3CCCCC3)C2)n1 ZINC000852726189 1123414162 /nfs/dbraw/zinc/41/41/62/1123414162.db2.gz WKDIJMPIHCALAU-INIZCTEOSA-N 0 1 273.424 3.577 20 0 CHADMN Cc1nn(-c2ccc(C)cc2)cc1CN1CC=C(C)CC1 ZINC001204768542 1123419882 /nfs/dbraw/zinc/41/98/82/1123419882.db2.gz KUXBHCIXQGRCTJ-UHFFFAOYSA-N 0 1 281.403 3.641 20 0 CHADMN CC1(C)C[C@H](NCc2cc[nH]c2)c2ccc(F)cc2O1 ZINC000335748299 1123421755 /nfs/dbraw/zinc/42/17/55/1123421755.db2.gz JMLJIYOOUUVTEW-AWEZNQCLSA-N 0 1 274.339 3.546 20 0 CHADMN CC(C)c1cccc(CNCc2cccnc2F)c1 ZINC000853086411 1123424087 /nfs/dbraw/zinc/42/40/87/1123424087.db2.gz KPIMQNCNFLXKKC-UHFFFAOYSA-N 0 1 258.340 3.634 20 0 CHADMN C[C@@H](OC(=O)c1ccc(C2CCCCC2)cc1)c1nnc[nH]1 ZINC000853214202 1123428153 /nfs/dbraw/zinc/42/81/53/1123428153.db2.gz NLGBICLCQYWIKM-GFCCVEGCSA-N 0 1 299.374 3.770 20 0 CHADMN CC(C)(C)c1cc(CN2CC[C@@H](c3ccccc3)C2)no1 ZINC000429681278 1123439526 /nfs/dbraw/zinc/43/95/26/1123439526.db2.gz VMCRIYYBJJVFFU-OAHLLOKOSA-N 0 1 284.403 3.962 20 0 CHADMN CC1(C)CCCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000474106443 1123443015 /nfs/dbraw/zinc/44/30/15/1123443015.db2.gz NKUDZGPTABMQLU-UHFFFAOYSA-N 0 1 297.402 3.729 20 0 CHADMN CN(CCc1cccs1)Cn1ncc(Cl)c1C1CC1 ZINC000853498667 1123443149 /nfs/dbraw/zinc/44/31/49/1123443149.db2.gz DMMZXLOTWGKDDT-UHFFFAOYSA-N 0 1 295.839 3.607 20 0 CHADMN CC1=NO[C@H](CN[C@@H](C)c2ccc(-c3ccccc3)cn2)C1 ZINC000895301114 1123447728 /nfs/dbraw/zinc/44/77/28/1123447728.db2.gz ZIAFAUYBKAPNBN-YOEHRIQHSA-N 0 1 295.386 3.564 20 0 CHADMN Cc1cccc2c1CC[C@@H]2NCc1ccc(Cl)cn1 ZINC000335869095 1123452486 /nfs/dbraw/zinc/45/24/86/1123452486.db2.gz UPKQJXIBOSDMCE-INIZCTEOSA-N 0 1 272.779 3.821 20 0 CHADMN CC(C)CCc1noc(CN2CC[C@@H](C)C[C@H](C)C2)n1 ZINC000443637826 1123456559 /nfs/dbraw/zinc/45/65/59/1123456559.db2.gz HFSWXSWDSCHSJL-KGLIPLIRSA-N 0 1 279.428 3.526 20 0 CHADMN CCCCOCCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443648820 1123461425 /nfs/dbraw/zinc/46/14/25/1123461425.db2.gz GPILMDHQCRCKIN-AWEZNQCLSA-N 0 1 297.826 3.610 20 0 CHADMN CCn1cc(CN[C@@H](c2ccccc2F)C(C)C)c(C)n1 ZINC000895346588 1123463426 /nfs/dbraw/zinc/46/34/26/1123463426.db2.gz JYUHRZPWRMBMML-QGZVFWFLSA-N 0 1 289.398 3.837 20 0 CHADMN CCn1cc(CN[C@H](c2ccccc2F)C(C)C)c(C)n1 ZINC000895346587 1123463767 /nfs/dbraw/zinc/46/37/67/1123463767.db2.gz JYUHRZPWRMBMML-KRWDZBQOSA-N 0 1 289.398 3.837 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CC[C@](C)(F)C1 ZINC000443662414 1123464624 /nfs/dbraw/zinc/46/46/24/1123464624.db2.gz VDMHEJNGQRGEHN-ZDUSSCGKSA-N 0 1 275.289 3.948 20 0 CHADMN Cn1ccnc1[C@H]1N(C[C@H]2CCc3ccccc32)CC1(C)C ZINC000854026372 1123466014 /nfs/dbraw/zinc/46/60/14/1123466014.db2.gz AJVXSUWEAGOHEM-NVXWUHKLSA-N 0 1 295.430 3.533 20 0 CHADMN CC1(C)CCC[C@@H](C(=O)Nc2cccc(-c3cn[nH]n3)c2)C1 ZINC000443669788 1123467741 /nfs/dbraw/zinc/46/77/41/1123467741.db2.gz AZXNJLCHPMKNOU-CYBMUJFWSA-N 0 1 298.390 3.627 20 0 CHADMN Cc1ccc([C@@H]2C[C@H]2c2nc([C@@H](N)C(C)C)no2)cc1C ZINC000854132837 1123470181 /nfs/dbraw/zinc/47/01/81/1123470181.db2.gz KZEZQMTVGGGCAS-ZNMIVQPWSA-N 0 1 285.391 3.613 20 0 CHADMN CC[C@@H](C)C(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000111988945 1123472624 /nfs/dbraw/zinc/47/26/24/1123472624.db2.gz METGLFZIXQYMQD-BDAKNGLRSA-N 0 1 280.755 3.867 20 0 CHADMN Cc1ncoc1CN[C@@H](c1cccc(C)c1)C(C)C ZINC000895402786 1123475928 /nfs/dbraw/zinc/47/59/28/1123475928.db2.gz NUJFNHLUDBGZJL-MRXNPFEDSA-N 0 1 258.365 3.778 20 0 CHADMN COc1cccc(C[N@H+]2CCc3c(C)cccc3C2)c1 ZINC000729543351 1123486963 /nfs/dbraw/zinc/48/69/63/1123486963.db2.gz PRTZTVKVYZSGDT-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)C(C)(C)C)c1nccn1C ZINC000070444225 1123492112 /nfs/dbraw/zinc/49/21/12/1123492112.db2.gz ISHTVEMHBWRRGZ-UKRRQHHQSA-N 0 1 271.408 3.858 20 0 CHADMN FC[C@H]1CCN(Cc2ccc(Sc3ccccn3)o2)C1 ZINC000895571874 1123492528 /nfs/dbraw/zinc/49/25/28/1123492528.db2.gz BBQZRLILDYWTKS-GFCCVEGCSA-N 0 1 292.379 3.617 20 0 CHADMN Fc1ccc(C2CCN(C/C=C/Cl)CC2)cc1F ZINC000729543497 1123494318 /nfs/dbraw/zinc/49/43/18/1123494318.db2.gz UARDVNHIHNYDQU-LZCJLJQNSA-N 0 1 271.738 3.897 20 0 CHADMN CCC[C@H]1CN(C[C@@H](OC(C)C)c2ccccc2)CCO1 ZINC000428293240 1123501229 /nfs/dbraw/zinc/50/12/29/1123501229.db2.gz HBIWSMQLYMGTHD-ZWKOTPCHSA-N 0 1 291.435 3.654 20 0 CHADMN c1nc(C2CC2)c(CN2CC(c3ccccc3)C2)s1 ZINC000639361628 1123508049 /nfs/dbraw/zinc/50/80/49/1123508049.db2.gz LELDYYSCKPNTAF-UHFFFAOYSA-N 0 1 270.401 3.620 20 0 CHADMN CC(C)CC[C@@H]1CC[C@H](NCc2nc(C(F)F)no2)C1 ZINC000895724476 1123508084 /nfs/dbraw/zinc/50/80/84/1123508084.db2.gz GIJRBHIWHMMPKJ-MNOVXSKESA-N 0 1 287.354 3.702 20 0 CHADMN CCc1cccc(Cl)c1CNCc1scnc1C ZINC000474346988 1123510130 /nfs/dbraw/zinc/51/01/30/1123510130.db2.gz FFGHSNAGCPUPNT-UHFFFAOYSA-N 0 1 280.824 3.957 20 0 CHADMN CC[C@H](Cc1ccc(Cl)cc1)N[C@@H](C)c1ncco1 ZINC000895764831 1123512308 /nfs/dbraw/zinc/51/23/08/1123512308.db2.gz JMNXFFZECORPMR-SMDDNHRTSA-N 0 1 278.783 4.000 20 0 CHADMN CC[C@@H](Cc1ccc(Cl)cc1)N[C@@H](C)c1ncco1 ZINC000895764828 1123512572 /nfs/dbraw/zinc/51/25/72/1123512572.db2.gz JMNXFFZECORPMR-FZMZJTMJSA-N 0 1 278.783 4.000 20 0 CHADMN CCOc1cc(-c2nc3ccc(F)cc3[nH]2)ccc1OC ZINC000261367025 1123517414 /nfs/dbraw/zinc/51/74/14/1123517414.db2.gz DDDKGXOXOHGCPD-UHFFFAOYSA-N 0 1 286.306 3.776 20 0 CHADMN FC(F)(F)c1nc(CNCCCCC2CC2)cs1 ZINC000895832000 1123519772 /nfs/dbraw/zinc/51/97/72/1123519772.db2.gz CBWOLEXWKLOFTO-UHFFFAOYSA-N 0 1 278.343 3.832 20 0 CHADMN COc1cc(CN2CCCCCC2)cc(Cl)c1OC ZINC000157375216 1129127415 /nfs/dbraw/zinc/12/74/15/1129127415.db2.gz BCSNWFGEONEZFM-UHFFFAOYSA-N 0 1 283.799 3.733 20 0 CHADMN CN(CCCF)Cc1ccc(-c2ccncc2)cc1F ZINC000895898070 1123527878 /nfs/dbraw/zinc/52/78/78/1123527878.db2.gz JUCIOXHKNCUXIA-UHFFFAOYSA-N 0 1 276.330 3.679 20 0 CHADMN CN(CCCF)Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000895896508 1123528925 /nfs/dbraw/zinc/52/89/25/1123528925.db2.gz VTTBEDGKUNJVEJ-UHFFFAOYSA-N 0 1 292.329 3.804 20 0 CHADMN C[C@@H]1C[C@@H]([NH2+][C@H]2C=CC[CH]2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168035013 1123529685 /nfs/dbraw/zinc/52/96/85/1123529685.db2.gz SDLMBPPOWPOKEG-NBMJBFSESA-N 0 1 283.439 3.550 20 0 CHADMN C[C@@H]1C[C@@H]([NH2+][C@H]2C=CC[CH]2)C[C@H](C)N1Cc1ccccc1 ZINC001168035013 1123529694 /nfs/dbraw/zinc/52/96/94/1123529694.db2.gz SDLMBPPOWPOKEG-NBMJBFSESA-N 0 1 283.439 3.550 20 0 CHADMN C[C@@H](C(=O)Nc1cc(F)cc(Cl)c1O)c1cccs1 ZINC000474441819 1123531001 /nfs/dbraw/zinc/53/10/01/1123531001.db2.gz QVTPWWGDYPIIKT-SSDOTTSWSA-N 0 1 299.754 3.988 20 0 CHADMN C[C@H](N[C@H]1CCc2cccc3cccc1c32)c1cnccn1 ZINC000895933149 1123532342 /nfs/dbraw/zinc/53/23/42/1123532342.db2.gz BCXQSKIPHNIZHD-GUYCJALGSA-N 0 1 289.382 3.968 20 0 CHADMN Cc1nc(CN[C@@H]2CCc3cccc4cccc2c43)[nH]c1C ZINC000895935025 1123532817 /nfs/dbraw/zinc/53/28/17/1123532817.db2.gz MPWKHZZJRJTCRQ-QGZVFWFLSA-N 0 1 291.398 3.957 20 0 CHADMN Oc1cc(Cl)cc(CN2CCC3(CCCCO3)CC2)c1 ZINC000896020589 1123543154 /nfs/dbraw/zinc/54/31/54/1123543154.db2.gz SWHOPIBLSHPRMA-UHFFFAOYSA-N 0 1 295.810 3.581 20 0 CHADMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNCc1csc(C(F)(F)F)n1 ZINC000896049397 1123544896 /nfs/dbraw/zinc/54/48/96/1123544896.db2.gz ZAQHNNBQCDCMSD-YKDSUIRESA-N 0 1 290.354 3.544 20 0 CHADMN CCOCCN1CCC[C@@H]1c1cccc(Br)c1 ZINC000338986257 1123546859 /nfs/dbraw/zinc/54/68/59/1123546859.db2.gz OIARHOWWXPFNHI-CQSZACIVSA-N 0 1 298.224 3.623 20 0 CHADMN COC(=O)c1occc1CN(CC1CCCCC1)C1CC1 ZINC000338990311 1123552533 /nfs/dbraw/zinc/55/25/33/1123552533.db2.gz UGPCNRVWBASGCM-UHFFFAOYSA-N 0 1 291.391 3.611 20 0 CHADMN Cc1cccc(O[C@@H]2CCN(C(C)C)C2)c1Br ZINC001227129205 1123562795 /nfs/dbraw/zinc/56/27/95/1123562795.db2.gz IUTVXCYGYJQOFK-GFCCVEGCSA-N 0 1 298.224 3.619 20 0 CHADMN CN(Cc1cccnc1Cl)[C@@H]1CCc2ccccc2C1 ZINC000114488433 1123564659 /nfs/dbraw/zinc/56/46/59/1123564659.db2.gz ZXXHGVDOPUOQID-MRXNPFEDSA-N 0 1 286.806 3.724 20 0 CHADMN Cc1cc(CNCc2cc3ccccc3o2)c(C)o1 ZINC000114504822 1123564901 /nfs/dbraw/zinc/56/49/01/1123564901.db2.gz FDXKOXFLJITIRN-UHFFFAOYSA-N 0 1 255.317 3.932 20 0 CHADMN Cc1cc(CN2CC[C@H](c3c(F)cccc3F)C2)ccn1 ZINC000856734395 1123565943 /nfs/dbraw/zinc/56/59/43/1123565943.db2.gz CJEAGTAJRRBNQJ-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN CCn1cc(CN[C@@H](C)c2cc(C)c(F)c(C)c2)cn1 ZINC000353977152 1123567983 /nfs/dbraw/zinc/56/79/83/1123567983.db2.gz ZIEWDDMPRNOGLD-ZDUSSCGKSA-N 0 1 275.371 3.510 20 0 CHADMN Cc1cccc([C@H](C)NCc2cn(C)nc2Cl)c1C ZINC000856771081 1123568259 /nfs/dbraw/zinc/56/82/59/1123568259.db2.gz YPYYLLCNOXQYBF-LBPRGKRZSA-N 0 1 277.799 3.541 20 0 CHADMN C[C@@H](CN1CCO[C@H](c2cccs2)C1)c1ccccc1 ZINC000157592567 1129130666 /nfs/dbraw/zinc/13/06/66/1129130666.db2.gz UGOYTQLZFVWFGT-HOCLYGCPSA-N 0 1 287.428 3.925 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2nnc(C(C)(C)C)o2)CC1 ZINC000114729006 1123576915 /nfs/dbraw/zinc/57/69/15/1123576915.db2.gz OZZINUGUOSBWCI-CYBMUJFWSA-N 0 1 279.428 3.625 20 0 CHADMN COc1cccc([C@@H](C)NCc2cc(F)cc(F)c2)c1 ZINC000097901312 1123578400 /nfs/dbraw/zinc/57/84/00/1123578400.db2.gz PMRJPVZYAIMXEV-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN CC(C)c1ccc(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC000080992240 1129131388 /nfs/dbraw/zinc/13/13/88/1129131388.db2.gz AVQQYFQLVNRCKI-MRXNPFEDSA-N 0 1 275.392 3.639 20 0 CHADMN CC(C)(C)N(CC(=O)Nc1ccccc1)Cc1ccccc1 ZINC000474825040 1123594397 /nfs/dbraw/zinc/59/43/97/1123594397.db2.gz YLQCKRFTZGMFJA-UHFFFAOYSA-N 0 1 296.414 3.926 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H](C)C1)c1nc(C(C)(C)C)no1 ZINC000179149659 1123598885 /nfs/dbraw/zinc/59/88/85/1123598885.db2.gz NJLQVLXCIUPCLU-GRYCIOLGSA-N 0 1 265.401 3.596 20 0 CHADMN COc1ccc2oc(CNCc3ccsc3)cc2c1 ZINC000179286518 1123601371 /nfs/dbraw/zinc/60/13/71/1123601371.db2.gz QCCMVZRWWQTZSO-UHFFFAOYSA-N 0 1 273.357 3.793 20 0 CHADMN CCC(CC)(CC)NCc1nc(C2CCCC2)no1 ZINC000157711477 1129132469 /nfs/dbraw/zinc/13/24/69/1129132469.db2.gz GXYWRHSKQCKIRX-UHFFFAOYSA-N 0 1 265.401 3.786 20 0 CHADMN O=C(Nc1cccc2ccccc21)c1cccc2nc[nH]c21 ZINC000157822077 1129133503 /nfs/dbraw/zinc/13/35/03/1129133503.db2.gz VETRJCUSHHILNC-UHFFFAOYSA-N 0 1 287.322 3.968 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCO[C@H]2CCCC[C@@H]2C)on1 ZINC000339008693 1123623892 /nfs/dbraw/zinc/62/38/92/1123623892.db2.gz LPUOEUVXKFFHIE-BPUTZDHNSA-N 0 1 292.423 3.715 20 0 CHADMN CC(C)[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccccc1F ZINC000857873556 1123624189 /nfs/dbraw/zinc/62/41/89/1123624189.db2.gz YVRUZZXZQYEWEY-HOTGVXAUSA-N 0 1 287.382 3.913 20 0 CHADMN COc1cccc(CN[C@@H]2CCc3ccc(Cl)nc32)c1 ZINC000857901452 1123625553 /nfs/dbraw/zinc/62/55/53/1123625553.db2.gz JXXTVFXVNALMHO-CQSZACIVSA-N 0 1 288.778 3.521 20 0 CHADMN CSc1ccc([C@@H](C)NCc2ccnc(F)c2)cc1 ZINC000858093203 1123631263 /nfs/dbraw/zinc/63/12/63/1123631263.db2.gz UYQZNQXFKDRJEI-LLVKDONJSA-N 0 1 276.380 3.793 20 0 CHADMN Fc1cc(F)c2c(c1)[C@@H](NCc1ccnc(F)c1)CCC2 ZINC000858171143 1123635974 /nfs/dbraw/zinc/63/59/74/1123635974.db2.gz VGVWMPKHFPTSSJ-HNNXBMFYSA-N 0 1 292.304 3.666 20 0 CHADMN Clc1ccc(CN[C@H](c2ccccn2)C2CCC2)cn1 ZINC000858238318 1123639272 /nfs/dbraw/zinc/63/92/72/1123639272.db2.gz IJSSTTNBBSGKHW-INIZCTEOSA-N 0 1 287.794 3.761 20 0 CHADMN Cc1cccc([C@@H](NCc2cn(C)nc2Cl)C(C)C)c1 ZINC000858286635 1123641885 /nfs/dbraw/zinc/64/18/85/1123641885.db2.gz DYSYXEDEIDVQFC-HNNXBMFYSA-N 0 1 291.826 3.869 20 0 CHADMN C[C@H](NC[C@@H]1CCC=CO1)c1c(F)cccc1Cl ZINC000194498595 1129135332 /nfs/dbraw/zinc/13/53/32/1129135332.db2.gz FAVJXSMXEMFYSG-QWRGUYRKSA-N 0 1 269.747 3.822 20 0 CHADMN CC[C@@H](NCc1cn(C)nc1Cl)c1cc(C)ccc1C ZINC000858296703 1123642744 /nfs/dbraw/zinc/64/27/44/1123642744.db2.gz YHRMZYKBMCSACL-OAHLLOKOSA-N 0 1 291.826 3.931 20 0 CHADMN Cc1cnc(CNC(C)(C)c2ccc3ccccc3c2)cn1 ZINC000858321156 1123645477 /nfs/dbraw/zinc/64/54/77/1123645477.db2.gz UGVIBGSBQGCQDL-UHFFFAOYSA-N 0 1 291.398 3.963 20 0 CHADMN CC(C)n1cncc1CN[C@H]1CCc2ccc(Cl)cc21 ZINC000858321047 1123645556 /nfs/dbraw/zinc/64/55/56/1123645556.db2.gz QNMFYCWLEDSYHM-INIZCTEOSA-N 0 1 289.810 3.895 20 0 CHADMN C(=C/c1ccccc1)\CN[C@H]1CCCc2scnc21 ZINC000858364356 1123648035 /nfs/dbraw/zinc/64/80/35/1123648035.db2.gz FOPSACOZYSRVCH-GPAKFWEMSA-N 0 1 270.401 3.824 20 0 CHADMN Cc1csc([C@H](C)N[C@H](C)C[C@H](O)c2cccs2)n1 ZINC000858371248 1123648908 /nfs/dbraw/zinc/64/89/08/1123648908.db2.gz AABNBWSMHQJREP-USWWRNFRSA-N 0 1 296.461 3.676 20 0 CHADMN C[C@H](c1ccccn1)[N@@H+](C)CCO[C@@H]1CCCC[C@H]1C ZINC000351772897 1123649037 /nfs/dbraw/zinc/64/90/37/1123649037.db2.gz AKZJVPBVBLBHAF-BFYDXBDKSA-N 0 1 276.424 3.670 20 0 CHADMN C[C@H](c1ccccn1)N(C)CCO[C@@H]1CCCC[C@H]1C ZINC000351772897 1123649039 /nfs/dbraw/zinc/64/90/39/1123649039.db2.gz AKZJVPBVBLBHAF-BFYDXBDKSA-N 0 1 276.424 3.670 20 0 CHADMN C/C=C\CN[C@H](c1nc(Br)cs1)C1CC1 ZINC000858538984 1123658921 /nfs/dbraw/zinc/65/89/21/1123658921.db2.gz ZWBDAAHUSQGWMJ-ZMWSMAPVSA-N 0 1 287.226 3.522 20 0 CHADMN Cc1cccc2nc(O[C@@H](C(C)C)C(F)(F)F)[nH]c21 ZINC001227271080 1123660920 /nfs/dbraw/zinc/66/09/20/1123660920.db2.gz HXCGAXRKTLYSLZ-NSHDSACASA-N 0 1 272.270 3.837 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)cc1N(C)C)c1ccns1 ZINC000858575814 1123664006 /nfs/dbraw/zinc/66/40/06/1123664006.db2.gz FPOGTPMTJMMUJX-WDEREUQCSA-N 0 1 293.411 3.760 20 0 CHADMN C[C@@H](N[C@H]1CCc2c1cc(F)cc2F)c1ccns1 ZINC000858578309 1123664599 /nfs/dbraw/zinc/66/45/99/1123664599.db2.gz UNDWWTXKPYYJOL-OQPBUACISA-N 0 1 280.343 3.759 20 0 CHADMN CC(=O)Nc1ccc([C@H](C)N[C@@H](C)c2ccns2)cc1 ZINC000858578350 1123664642 /nfs/dbraw/zinc/66/46/42/1123664642.db2.gz UTZXVEODBYMHKS-QWRGUYRKSA-N 0 1 289.404 3.513 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1ccns1 ZINC000858577251 1123664679 /nfs/dbraw/zinc/66/46/79/1123664679.db2.gz JSUWNHJSOWELJL-NOZJJQNGSA-N 0 1 262.353 3.620 20 0 CHADMN CCc1ccc(C[N@H+](CC)[C@@H](C)c2cccc(O)c2)nc1 ZINC000339012582 1123667575 /nfs/dbraw/zinc/66/75/75/1123667575.db2.gz HQLSNVHOOOGWID-AWEZNQCLSA-N 0 1 284.403 3.933 20 0 CHADMN CCc1ccc(CN(CC)[C@@H](C)c2cccc(O)c2)nc1 ZINC000339012582 1123667577 /nfs/dbraw/zinc/66/75/77/1123667577.db2.gz HQLSNVHOOOGWID-AWEZNQCLSA-N 0 1 284.403 3.933 20 0 CHADMN Cc1ccc(C)c([C@H](C)N(C)Cc2cn3cccnc3n2)c1 ZINC000346312554 1123680016 /nfs/dbraw/zinc/68/00/16/1123680016.db2.gz FQCUREJZCULUHE-HNNXBMFYSA-N 0 1 294.402 3.539 20 0 CHADMN CCN(Cc1cccc(Cl)c1)Cc1ccnc(F)c1 ZINC000859076046 1123682263 /nfs/dbraw/zinc/68/22/63/1123682263.db2.gz DIFBHORHYKGBCZ-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN COc1ccc([C@@H]2CCCN2Cc2ccnc(F)c2)cc1 ZINC000859063806 1123682536 /nfs/dbraw/zinc/68/25/36/1123682536.db2.gz AVPDSHQOPGSUQV-INIZCTEOSA-N 0 1 286.350 3.566 20 0 CHADMN CC(C)N(Cc1cccs1)Cc1ccnc(F)c1 ZINC000859090988 1123683560 /nfs/dbraw/zinc/68/35/60/1123683560.db2.gz XDWZADBTTMGCNF-UHFFFAOYSA-N 0 1 264.369 3.693 20 0 CHADMN Fc1cncc([C@H](NCc2ccccc2F)C2CC2)c1 ZINC000281151236 1123685275 /nfs/dbraw/zinc/68/52/75/1123685275.db2.gz GMYMEGIKUJZDCB-MRXNPFEDSA-N 0 1 274.314 3.601 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cc(Cl)n(C)n1)C1CC1 ZINC000859237948 1123692137 /nfs/dbraw/zinc/69/21/37/1123692137.db2.gz ZUOHPJCETQJJGH-INIZCTEOSA-N 0 1 289.810 3.623 20 0 CHADMN C[C@@H](NCc1ccc(F)cn1)c1ccc2c(c1)CCC2 ZINC000346531839 1123692426 /nfs/dbraw/zinc/69/24/26/1123692426.db2.gz FFRZCDAIJWPGHQ-GFCCVEGCSA-N 0 1 270.351 3.560 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1Cc1ccnc(F)c1 ZINC000859253829 1123692788 /nfs/dbraw/zinc/69/27/88/1123692788.db2.gz GWKVFTGWYKSMIJ-MRXNPFEDSA-N 0 1 270.351 3.558 20 0 CHADMN COc1ccc(CN2CCCC[C@H]2C(C)=O)c2ccccc12 ZINC001203994231 1123699492 /nfs/dbraw/zinc/69/94/92/1123699492.db2.gz AEHKTLCCFYQMHQ-SFHVURJKSA-N 0 1 297.398 3.792 20 0 CHADMN CC1(C)C[C@@H]1N[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000346652079 1123702071 /nfs/dbraw/zinc/70/20/71/1123702071.db2.gz XVDYOZNLHNUDQI-JKSUJKDBSA-N 0 1 270.351 3.698 20 0 CHADMN CCc1occc1-c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000346634203 1123703074 /nfs/dbraw/zinc/70/30/74/1123703074.db2.gz NFHYVPMWDHSRBB-UHFFFAOYSA-N 0 1 294.314 3.744 20 0 CHADMN c1cc2cccc(CNc3ccc4nc[nH]c4c3)c2[nH]1 ZINC000346640469 1123703723 /nfs/dbraw/zinc/70/37/23/1123703723.db2.gz GIQPHLVTUHXQFQ-UHFFFAOYSA-N 0 1 262.316 3.656 20 0 CHADMN CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000859804594 1123710550 /nfs/dbraw/zinc/71/05/50/1123710550.db2.gz QYXLAQPMGLKIDM-HNNXBMFYSA-N 0 1 293.407 3.579 20 0 CHADMN Cc1nn(C(C)C)cc1CN(C)Cc1ccccc1C ZINC000281541000 1123718127 /nfs/dbraw/zinc/71/81/27/1123718127.db2.gz IQKMHTGJPKGIEI-UHFFFAOYSA-N 0 1 271.408 3.713 20 0 CHADMN COCC[C@@H](N[C@@H](C)c1ccns1)c1ccccc1 ZINC000860058172 1123719699 /nfs/dbraw/zinc/71/96/99/1123719699.db2.gz JBZVXJWHEACHAG-GXTWGEPZSA-N 0 1 276.405 3.572 20 0 CHADMN C[C@@H](c1cccnc1)N1CCc2ccc(F)cc2[C@H](C)C1 ZINC000649894141 1129140879 /nfs/dbraw/zinc/14/08/79/1129140879.db2.gz CPSWHOACHPHBAM-KGLIPLIRSA-N 0 1 284.378 3.944 20 0 CHADMN C/C=C/C[C@@H]1CCCN(Cc2ncc(C(C)C)o2)C1 ZINC000860178861 1123724187 /nfs/dbraw/zinc/72/41/87/1123724187.db2.gz FJZHJHAOJUUCSX-ISZGNANSSA-N 0 1 262.397 3.976 20 0 CHADMN CC[C@@H](C)N(Cc1ccccc1)Cc1cnccc1OC ZINC000346831852 1123725408 /nfs/dbraw/zinc/72/54/08/1123725408.db2.gz UXPSSBSKKMTZCG-OAHLLOKOSA-N 0 1 284.403 3.891 20 0 CHADMN COc1ccncc1CN(C)[C@H](C)c1ccc(C)cc1C ZINC000346838028 1123725470 /nfs/dbraw/zinc/72/54/70/1123725470.db2.gz DZFMKTITOKZDKQ-OAHLLOKOSA-N 0 1 284.403 3.900 20 0 CHADMN CCOc1ccccc1CN1CCC[C@@H]1c1cccnc1 ZINC000346981014 1123737107 /nfs/dbraw/zinc/73/71/07/1123737107.db2.gz MRMBLMYOHUVRBF-QGZVFWFLSA-N 0 1 282.387 3.817 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccccc2SC)nc1 ZINC000281900637 1123749079 /nfs/dbraw/zinc/74/90/79/1123749079.db2.gz BMBICDCXORZDRP-GFCCVEGCSA-N 0 1 288.416 3.663 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2c3ccc(F)cc3O[C@@H]2C)s1 ZINC000336357733 1123764935 /nfs/dbraw/zinc/76/49/35/1123764935.db2.gz CPMIECULEYKIIX-PSLIRLAXSA-N 0 1 292.379 3.511 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@H](C)c1ccncc1F)CCC2 ZINC000336381635 1123767869 /nfs/dbraw/zinc/76/78/69/1123767869.db2.gz QJXWVSDUZJPPOX-NOZJJQNGSA-N 0 1 291.395 3.714 20 0 CHADMN Cc1noc(C)c1CN[C@H]1CCCc2ccc(C)cc21 ZINC000336391384 1123768495 /nfs/dbraw/zinc/76/84/95/1123768495.db2.gz JLEIUNBUXXPGKG-KRWDZBQOSA-N 0 1 270.376 3.767 20 0 CHADMN Cc1cnc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)o1 ZINC000336477497 1123772697 /nfs/dbraw/zinc/77/26/97/1123772697.db2.gz ZDPRYVBHJDUWQP-CYBMUJFWSA-N 0 1 276.767 3.626 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN1CCCCCCC1 ZINC000007486784 1123774529 /nfs/dbraw/zinc/77/45/29/1123774529.db2.gz YZAHIAZWNVTRRD-UHFFFAOYSA-N 0 1 274.408 3.508 20 0 CHADMN CN(CC1CCCCC1)C(=O)c1ccc(O)c(Cl)c1 ZINC000042350597 1123784088 /nfs/dbraw/zinc/78/40/88/1123784088.db2.gz NPOGQTRLWJPERJ-UHFFFAOYSA-N 0 1 281.783 3.698 20 0 CHADMN Cc1c(F)nccc1CN1CCC[C@@H]1c1cccs1 ZINC000862212207 1123792149 /nfs/dbraw/zinc/79/21/49/1123792149.db2.gz FJNNNOUBUVNPNR-CYBMUJFWSA-N 0 1 276.380 3.928 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2ccnc(F)c2C)cc1 ZINC000862215587 1123792763 /nfs/dbraw/zinc/79/27/63/1123792763.db2.gz LTRWKCKFMWKFQR-CYBMUJFWSA-N 0 1 288.366 3.731 20 0 CHADMN CCN(Cc1ccccc1)Cc1ccnc(F)c1C ZINC000862212969 1123793098 /nfs/dbraw/zinc/79/30/98/1123793098.db2.gz YQVBPXONAXBTIO-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN Cc1ncc(CN2CCC(c3cccc(F)c3)CC2)o1 ZINC000862242424 1123794059 /nfs/dbraw/zinc/79/40/59/1123794059.db2.gz FQIZGUVTANZEFE-UHFFFAOYSA-N 0 1 274.339 3.502 20 0 CHADMN CC(C)CC1CCN(Cc2cnc(C3CC3)o2)CC1 ZINC000862252534 1123795270 /nfs/dbraw/zinc/79/52/70/1123795270.db2.gz DTKXZTDQAPJQQI-UHFFFAOYSA-N 0 1 262.397 3.810 20 0 CHADMN Cc1c(F)nccc1CNCc1ccc(OC(C)C)cc1 ZINC000862267546 1123796392 /nfs/dbraw/zinc/79/63/92/1123796392.db2.gz HQADGUBWFAEZPR-UHFFFAOYSA-N 0 1 288.366 3.606 20 0 CHADMN Cc1c(F)nccc1CNC(C)(C)c1cccc(F)c1 ZINC000862279669 1123798059 /nfs/dbraw/zinc/79/80/59/1123798059.db2.gz UVZPCHCLCSFULQ-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN Cc1c(F)nccc1CN1CCC(c2ccsc2)CC1 ZINC000862331474 1123799816 /nfs/dbraw/zinc/79/98/16/1123799816.db2.gz LGSWWKLRXSLEGW-UHFFFAOYSA-N 0 1 290.407 3.970 20 0 CHADMN Cc1c(F)nccc1CNCc1ccc(C(C)(F)F)cc1 ZINC000862376561 1123805130 /nfs/dbraw/zinc/80/51/30/1123805130.db2.gz JZGNQXXRVCVIBZ-UHFFFAOYSA-N 0 1 294.320 3.931 20 0 CHADMN CC[C@@H]1CCCC[C@H]1CN1CCc2cc(Cl)nnc2C1 ZINC000862399310 1123807802 /nfs/dbraw/zinc/80/78/02/1123807802.db2.gz ZGNCGCOGJGXVNE-OCCSQVGLSA-N 0 1 293.842 3.705 20 0 CHADMN CC[C@@H]1CCCC[C@H]1C[NH2+]C(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000862432481 1123808715 /nfs/dbraw/zinc/80/87/15/1123808715.db2.gz FNYVUJUVJGIPMG-KGLIPLIRSA-N 0 1 291.439 3.532 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3cccnc32)cc(Cl)n1 ZINC000897072392 1123809584 /nfs/dbraw/zinc/80/95/84/1123809584.db2.gz MEEDXMMPSOUHAL-AWEZNQCLSA-N 0 1 287.794 3.606 20 0 CHADMN c1coc(CC2CN(Cc3cnc4ccccc4c3)C2)c1 ZINC000862486991 1123813968 /nfs/dbraw/zinc/81/39/68/1123813968.db2.gz LZBLFVLZPDNGAV-UHFFFAOYSA-N 0 1 278.355 3.502 20 0 CHADMN Cc1ncc(CNCc2cn(C(F)F)c3ccccc23)o1 ZINC000862528252 1123815504 /nfs/dbraw/zinc/81/55/04/1123815504.db2.gz RVIYQCYHISTFEV-UHFFFAOYSA-N 0 1 291.301 3.623 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCSC[C@H](C)C1 ZINC000190413290 1123818421 /nfs/dbraw/zinc/81/84/21/1123818421.db2.gz LSWIXIOPAMNFRJ-NEPJUHHUSA-N 0 1 282.453 3.718 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCSC[C@H](C)C1 ZINC000190413290 1123818431 /nfs/dbraw/zinc/81/84/31/1123818431.db2.gz LSWIXIOPAMNFRJ-NEPJUHHUSA-N 0 1 282.453 3.718 20 0 CHADMN Cc1noc([C@H](C)N[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000475195225 1123819214 /nfs/dbraw/zinc/81/92/14/1123819214.db2.gz HPULWKLOQBFFBS-VWYCJHECSA-N 0 1 293.798 3.874 20 0 CHADMN CC(C)c1cc(C(=O)N([C@@H](C)c2ccccc2)C2CC2)n[nH]1 ZINC000621229582 1129147440 /nfs/dbraw/zinc/14/74/40/1129147440.db2.gz HPKDTQINHRNSLG-ZDUSSCGKSA-N 0 1 297.402 3.899 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cnc(C)s1 ZINC000037505462 1123827198 /nfs/dbraw/zinc/82/71/98/1123827198.db2.gz COMLSIHVBOXVCM-LLVKDONJSA-N 0 1 276.405 3.619 20 0 CHADMN CO[C@]1(C)CCCN(Cc2cc(C)ccc2OC(F)F)C1 ZINC000475285457 1123833458 /nfs/dbraw/zinc/83/34/58/1123833458.db2.gz MDKCUGGXHBVBNF-MRXNPFEDSA-N 0 1 299.361 3.597 20 0 CHADMN CC(C)(C)c1nc(SCCC(F)=C(F)F)n[nH]1 ZINC000863279195 1123858358 /nfs/dbraw/zinc/85/83/58/1123858358.db2.gz WWYYVSGNAVYQQG-UHFFFAOYSA-N 0 1 265.304 3.662 20 0 CHADMN C[C@@H]1CC[C@H](CN2CC=C(c3ccccc3Cl)CC2)O1 ZINC000475310754 1123838640 /nfs/dbraw/zinc/83/86/40/1123838640.db2.gz DUNQMOGPRWRBIZ-UKRRQHHQSA-N 0 1 291.822 3.997 20 0 CHADMN CC1(C)C[C@H](NCc2ccncc2F)c2ccccc21 ZINC000335167225 1123842443 /nfs/dbraw/zinc/84/24/43/1123842443.db2.gz BXXHALUICOGNDI-INIZCTEOSA-N 0 1 270.351 3.733 20 0 CHADMN CCC[C@H](NCc1nc(Cc2ccccc2)no1)C1CCC1 ZINC000324926236 1123846347 /nfs/dbraw/zinc/84/63/47/1123846347.db2.gz SXJFEBWTQHNWSA-INIZCTEOSA-N 0 1 299.418 3.719 20 0 CHADMN CC(C)(C)c1n[nH]c(SCCC(F)=C(F)F)n1 ZINC000863279195 1123858353 /nfs/dbraw/zinc/85/83/53/1123858353.db2.gz WWYYVSGNAVYQQG-UHFFFAOYSA-N 0 1 265.304 3.662 20 0 CHADMN CC1(C)C[C@@H](NCc2cc(Cl)ccc2Cl)CO1 ZINC000396496905 1123861847 /nfs/dbraw/zinc/86/18/47/1123861847.db2.gz GZXMFBKFGJBRMO-LLVKDONJSA-N 0 1 274.191 3.651 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)nn1 ZINC000396549317 1123862712 /nfs/dbraw/zinc/86/27/12/1123862712.db2.gz FVGVASFVBZBSTO-MRXNPFEDSA-N 0 1 287.794 3.679 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cc3ccccc3s2)nn1 ZINC000396563982 1123864011 /nfs/dbraw/zinc/86/40/11/1123864011.db2.gz LERWLZJKNVFKJA-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccn1)c1ccc(-n2ccnc2)cc1 ZINC000192917716 1123866594 /nfs/dbraw/zinc/86/65/94/1123866594.db2.gz VTLGLVIAZDXTBI-HUUCEWRRSA-N 0 1 292.386 3.679 20 0 CHADMN CC[C@H](NC(=O)C(C)=CC1CCC(C)CC1)c1ncc[nH]1 ZINC000867456890 1123867096 /nfs/dbraw/zinc/86/70/96/1123867096.db2.gz BTDPIMJHNQHWPF-DABQOUPSSA-N 0 1 289.423 3.750 20 0 CHADMN CCn1cncc1CN1CCC[C@H]1/C=C/c1ccccc1 ZINC000417994325 1123869425 /nfs/dbraw/zinc/86/94/25/1123869425.db2.gz YPHVYHKXYPAHJV-DVQDXYAYSA-N 0 1 281.403 3.581 20 0 CHADMN CCn1cncc1CN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000417994328 1123869790 /nfs/dbraw/zinc/86/97/90/1123869790.db2.gz YPHVYHKXYPAHJV-SXSDINLZSA-N 0 1 281.403 3.581 20 0 CHADMN O=c1cc(C2CCC2)[nH]n1-c1ccccc1C(F)(F)F ZINC000204933308 1123877505 /nfs/dbraw/zinc/87/75/05/1123877505.db2.gz HJSAKCWEPNQMQP-UHFFFAOYSA-N 0 1 282.265 3.598 20 0 CHADMN Cc1ccccc1CN(C)Cc1cncc(Cl)c1 ZINC000621242887 1129151173 /nfs/dbraw/zinc/15/11/73/1129151173.db2.gz ASDJCXFQVIJFHW-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN CSCCCCNc1ccnc2cc(F)ccc21 ZINC000301259037 1123885715 /nfs/dbraw/zinc/88/57/15/1123885715.db2.gz FKHHMHYAHNTYKM-UHFFFAOYSA-N 0 1 264.369 3.929 20 0 CHADMN CCCc1cc(C(=O)N(CC)[C@H](CC)c2ccccc2)n[nH]1 ZINC000621233566 1129152026 /nfs/dbraw/zinc/15/20/26/1129152026.db2.gz HESAUBSVMUTAJJ-QGZVFWFLSA-N 0 1 299.418 3.976 20 0 CHADMN COc1ccc(CN(C)Cc2cc(C)oc2C)cc1F ZINC000119618638 1123896280 /nfs/dbraw/zinc/89/62/80/1123896280.db2.gz GWDRDBCDVFRRAV-UHFFFAOYSA-N 0 1 277.339 3.676 20 0 CHADMN CN(CCCOc1ccccc1)Cc1cncc(Cl)c1 ZINC000621245014 1129152529 /nfs/dbraw/zinc/15/25/29/1129152529.db2.gz KXNYJVCQSDEVAJ-UHFFFAOYSA-N 0 1 290.794 3.636 20 0 CHADMN Cc1ccc(CN(C)Cc2cncc(Cl)c2)cc1 ZINC000621245840 1129152819 /nfs/dbraw/zinc/15/28/19/1129152819.db2.gz ZSDYAUYRMLUGMA-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2c1ccncc1C(F)(F)F ZINC000864092916 1123916663 /nfs/dbraw/zinc/91/66/63/1123916663.db2.gz CAXOSZPDIPDTBE-FGWVZKOKSA-N 0 1 270.298 3.868 20 0 CHADMN Cc1ccnc(NC[C@H]2CCO[C@@H]2c2ccccc2)c1 ZINC000301615612 1123917689 /nfs/dbraw/zinc/91/76/89/1123917689.db2.gz BOGKSYUZCQANPP-NVXWUHKLSA-N 0 1 268.360 3.580 20 0 CHADMN Cc1ccnc(NCCc2c[nH]c3cccc(C)c23)c1 ZINC000301618321 1123918010 /nfs/dbraw/zinc/91/80/10/1123918010.db2.gz CVWSVYKHFVLAQF-UHFFFAOYSA-N 0 1 265.360 3.834 20 0 CHADMN CC(C)[C@H](NC/C(Cl)=C/Cl)[C@@H](O)c1ccccc1 ZINC000794601767 1123921329 /nfs/dbraw/zinc/92/13/29/1123921329.db2.gz FEJLIIUQRFPPML-KGKULNKVSA-N 0 1 288.218 3.653 20 0 CHADMN CCN(Cc1ccccn1)Cn1cnc2cc(C)c(C)cc21 ZINC000084481203 1129153285 /nfs/dbraw/zinc/15/32/85/1129153285.db2.gz PQNCCQZYHHQSOT-UHFFFAOYSA-N 0 1 294.402 3.528 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)/C(C)=C/C(C)(C)C)c1 ZINC000794624919 1123923441 /nfs/dbraw/zinc/92/34/41/1123923441.db2.gz SCORDLUYVXLQEF-ZHACJKMWSA-N 0 1 289.375 3.916 20 0 CHADMN CC(C)OCCCNc1ccnc2cc(F)ccc21 ZINC000301738092 1123928464 /nfs/dbraw/zinc/92/84/64/1123928464.db2.gz SFCAVQKVRPNBKN-UHFFFAOYSA-N 0 1 262.328 3.601 20 0 CHADMN Cc1cnccc1CCNc1ccnc2cc(F)ccc21 ZINC000301817925 1123935520 /nfs/dbraw/zinc/93/55/20/1123935520.db2.gz FKISYMCCOAMQIU-UHFFFAOYSA-N 0 1 281.334 3.732 20 0 CHADMN Fc1ccc([C@H]2CCN(Cc3cncc(Cl)c3)C2)cc1 ZINC000621262292 1129154811 /nfs/dbraw/zinc/15/48/11/1129154811.db2.gz VLZYNJDUFFQTLM-AWEZNQCLSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1nsc(Nc2cnn(-c3cc(C)ccc3C)c2C)n1 ZINC000301983398 1123948173 /nfs/dbraw/zinc/94/81/73/1123948173.db2.gz ROESNXAGDPJFJC-UHFFFAOYSA-N 0 1 299.403 3.701 20 0 CHADMN Cc1cc(NCCCCCCO)c2cc(F)ccc2n1 ZINC000302029055 1123950376 /nfs/dbraw/zinc/95/03/76/1123950376.db2.gz RLKAIFSKANKHGX-UHFFFAOYSA-N 0 1 276.355 3.647 20 0 CHADMN CCc1cc(CN[C@@H](c2cc(F)ccc2F)C(C)C)[nH]n1 ZINC000794807839 1123956541 /nfs/dbraw/zinc/95/65/41/1123956541.db2.gz MABMJEYDIUFDDD-MRXNPFEDSA-N 0 1 293.361 3.737 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccc(Br)cn1 ZINC000794819325 1123960727 /nfs/dbraw/zinc/96/07/27/1123960727.db2.gz WEQQJCUQZVYSPW-VHSXEESVSA-N 0 1 294.196 3.584 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccnc2F)cc(C)c1F ZINC000794830934 1123963381 /nfs/dbraw/zinc/96/33/81/1123963381.db2.gz AESQGRNTQOTVJG-GFCCVEGCSA-N 0 1 276.330 3.827 20 0 CHADMN CCO[C@@H](CCNc1cccc(C)n1)C1CCCC1 ZINC000302243391 1123964312 /nfs/dbraw/zinc/96/43/12/1123964312.db2.gz PZQIOHDTMAPDEH-HNNXBMFYSA-N 0 1 262.397 3.787 20 0 CHADMN FC(F)(F)c1sccc1CNc1nccn1C1CC1 ZINC000865293653 1123970423 /nfs/dbraw/zinc/97/04/23/1123970423.db2.gz QEGJKQXZDBWJKS-UHFFFAOYSA-N 0 1 287.310 3.910 20 0 CHADMN CC(C)O[C@H](CN1CCO[C@@H](C(C)C)C1)c1ccccc1 ZINC000428347989 1123974425 /nfs/dbraw/zinc/97/44/25/1123974425.db2.gz OHKFHOBCRZNROY-QZTJIDSGSA-N 0 1 291.435 3.510 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccsc2)sn1 ZINC000637910394 1129236049 /nfs/dbraw/zinc/23/60/49/1129236049.db2.gz QRCZZJNPHYKIRS-ZDUSSCGKSA-N 0 1 264.419 3.850 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1nc(CC(C)C)ns1 ZINC000302726738 1123979786 /nfs/dbraw/zinc/97/97/86/1123979786.db2.gz PKWDJPBWJXJWKH-UHFFFAOYSA-N 0 1 287.392 3.665 20 0 CHADMN C[C@@H](NCc1ccc(OC(F)F)cc1F)c1ccncc1 ZINC000865401548 1123980888 /nfs/dbraw/zinc/98/08/88/1123980888.db2.gz XYSFDBPBYNQXSV-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN C[C@H]1CSCCN(c2ccnc3cc(F)ccc32)C1 ZINC000302746433 1123981723 /nfs/dbraw/zinc/98/17/23/1123981723.db2.gz SXZRFWYWNODWIG-LLVKDONJSA-N 0 1 276.380 3.563 20 0 CHADMN Cc1cccc(NCCc2ccccc2OC(F)F)n1 ZINC000302782739 1123982841 /nfs/dbraw/zinc/98/28/41/1123982841.db2.gz SUGGFENDSDWXKH-UHFFFAOYSA-N 0 1 278.302 3.646 20 0 CHADMN Cc1noc(C)c1CNCc1cccc(Cl)c1C ZINC000865430786 1123983330 /nfs/dbraw/zinc/98/33/30/1123983330.db2.gz POMWIJRRGBMQIM-UHFFFAOYSA-N 0 1 264.756 3.543 20 0 CHADMN CCn1nc(C)c(CNCc2cccc(Cl)c2C)c1C ZINC000865446293 1123985291 /nfs/dbraw/zinc/98/52/91/1123985291.db2.gz RGXJDUUGUZIJDI-UHFFFAOYSA-N 0 1 291.826 3.771 20 0 CHADMN CSC1(CNc2cc(C)nc3ccc(F)cc32)CC1 ZINC000302863850 1123987338 /nfs/dbraw/zinc/98/73/38/1123987338.db2.gz SIBUXFXHPRFAOU-UHFFFAOYSA-N 0 1 276.380 3.990 20 0 CHADMN FC1(F)CC[C@H](NCc2c(Cl)cncc2Cl)C1 ZINC000865494391 1123989506 /nfs/dbraw/zinc/98/95/06/1123989506.db2.gz XTAUKJWPMNHQBF-ZETCQYMHSA-N 0 1 281.133 3.666 20 0 CHADMN CC1(C)C[C@@H](NCc2cn(C3CC3)cn2)c2ccccc21 ZINC000865496497 1123989798 /nfs/dbraw/zinc/98/97/98/1123989798.db2.gz VNWSYCHVINRUJP-QGZVFWFLSA-N 0 1 281.403 3.730 20 0 CHADMN C[C@@H](NCc1ccc(OC(F)F)cc1F)c1ccc[nH]1 ZINC000865512817 1123991062 /nfs/dbraw/zinc/99/10/62/1123991062.db2.gz JCWZUBZRYCSUBG-SECBINFHSA-N 0 1 284.281 3.606 20 0 CHADMN CCOc1cc(F)cc(CN[C@@H](C)c2cnccc2C)c1 ZINC000865517822 1123991073 /nfs/dbraw/zinc/99/10/73/1123991073.db2.gz IMWVOWVWSZWYRL-ZDUSSCGKSA-N 0 1 288.366 3.779 20 0 CHADMN CCOc1cc(F)cc(CN[C@H](C)c2cnccc2C)c1 ZINC000865517821 1123991405 /nfs/dbraw/zinc/99/14/05/1123991405.db2.gz IMWVOWVWSZWYRL-CYBMUJFWSA-N 0 1 288.366 3.779 20 0 CHADMN C[C@@H]1CCCC[C@@H]1N(C)Cc1ncc(Cl)s1 ZINC000444661883 1124049565 /nfs/dbraw/zinc/04/95/65/1124049565.db2.gz BFIDMGKYIMNURU-ZJUUUORDSA-N 0 1 258.818 3.807 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1cn(C2CC2)cn1 ZINC000865579801 1123997235 /nfs/dbraw/zinc/99/72/35/1123997235.db2.gz FZSMMDVDBKHIJZ-UHFFFAOYSA-N 0 1 269.392 3.551 20 0 CHADMN CO[C@@H](CNCc1c(Cl)cncc1Cl)CC(C)C ZINC000865605115 1123997948 /nfs/dbraw/zinc/99/79/48/1123997948.db2.gz MXTFEQUZHKXWCT-SNVBAGLBSA-N 0 1 291.222 3.539 20 0 CHADMN Cc1cccc(C2(NCc3cn(C4CC4)cn3)CCC2)c1 ZINC000865611794 1123999061 /nfs/dbraw/zinc/99/90/61/1123999061.db2.gz FGFVXAGLHSZOCY-UHFFFAOYSA-N 0 1 281.403 3.695 20 0 CHADMN CCSC1(CNCc2c(Cl)cncc2Cl)CC1 ZINC000865632758 1124001462 /nfs/dbraw/zinc/00/14/62/1124001462.db2.gz YJWZZDZNOMJGMT-UHFFFAOYSA-N 0 1 291.247 3.764 20 0 CHADMN FC(F)(F)c1cnccc1N1CC=C(C(F)(F)F)CC1 ZINC000865643222 1124001644 /nfs/dbraw/zinc/00/16/44/1124001644.db2.gz TUZDSACNHDHQPL-UHFFFAOYSA-N 0 1 296.214 3.799 20 0 CHADMN Fc1ccc(CNCc2ccsc2C(F)(F)F)cn1 ZINC000865653664 1124003309 /nfs/dbraw/zinc/00/33/09/1124003309.db2.gz SZKUWMPUMNRBRC-UHFFFAOYSA-N 0 1 290.285 3.591 20 0 CHADMN Cc1ncc([C@H](C)NCc2cnc(Cl)c(C)c2)s1 ZINC000865703267 1124006723 /nfs/dbraw/zinc/00/67/23/1124006723.db2.gz WIUCEUFJSKHFDR-VIFPVBQESA-N 0 1 281.812 3.659 20 0 CHADMN FC(F)(F)c1cnc(CNCC[C@@H]2CCCS2)s1 ZINC000865725164 1124007426 /nfs/dbraw/zinc/00/74/26/1124007426.db2.gz UGCQANBLEHYHRL-QMMMGPOBSA-N 0 1 296.383 3.537 20 0 CHADMN CC(C)(C)Oc1cccc(CNCc2ccnc(F)c2)c1 ZINC000865721255 1124007495 /nfs/dbraw/zinc/00/74/95/1124007495.db2.gz QODUHERMCBZEQN-UHFFFAOYSA-N 0 1 288.366 3.688 20 0 CHADMN CC/C=C(\F)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000865727572 1124008682 /nfs/dbraw/zinc/00/86/82/1124008682.db2.gz BJAPLPCPNJYBMD-HDPPJLHVSA-N 0 1 295.745 3.657 20 0 CHADMN C[C@@H](NCc1cncc(Cl)c1)c1ccsc1 ZINC000621291526 1129160656 /nfs/dbraw/zinc/16/06/56/1129160656.db2.gz VVTAECGLWJEEFF-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN CSCc1cnc(CNCC(C)(C)C(C)(F)F)s1 ZINC000865789552 1124015502 /nfs/dbraw/zinc/01/55/02/1124015502.db2.gz HPUAEQXXYUWPJD-UHFFFAOYSA-N 0 1 294.436 3.777 20 0 CHADMN CSc1ccccc1CN(C)Cc1ccnc(C)c1 ZINC000621288699 1129160917 /nfs/dbraw/zinc/16/09/17/1129160917.db2.gz FONMUNVIJPHQMH-UHFFFAOYSA-N 0 1 272.417 3.744 20 0 CHADMN C[C@@H](NCc1ccc(C2CCCC2)cc1)c1ccnn1C ZINC000865839493 1124020877 /nfs/dbraw/zinc/02/08/77/1124020877.db2.gz YHCXJQMHJNDYCJ-CQSZACIVSA-N 0 1 283.419 3.929 20 0 CHADMN c1sc(C2CC2)nc1CNC1([C@H]2CCCCO2)CCC1 ZINC000865857845 1124021996 /nfs/dbraw/zinc/02/19/96/1124021996.db2.gz XXGXSKMPAATOBZ-CQSZACIVSA-N 0 1 292.448 3.602 20 0 CHADMN COc1ccc2c(c1)CC[C@H]2NCc1ccc(Cl)o1 ZINC000631604914 1124024223 /nfs/dbraw/zinc/02/42/23/1124024223.db2.gz BRKILHVQWUYPIO-CQSZACIVSA-N 0 1 277.751 3.719 20 0 CHADMN C[C@@H]1C[C@@H](N[C@@H]2CCCc3ncccc32)c2ccccc2O1 ZINC000631633087 1124037090 /nfs/dbraw/zinc/03/70/90/1124037090.db2.gz UVIZSEUSKFYVJG-FSPWUOQZSA-N 0 1 294.398 3.961 20 0 CHADMN C[C@@H]1CCc2ccc(F)cc2[C@@H]1NCc1ccco1 ZINC000866215516 1124038500 /nfs/dbraw/zinc/03/85/00/1124038500.db2.gz ZIXJBPPOZWBRIY-BDJLRTHQSA-N 0 1 259.324 3.832 20 0 CHADMN Cc1cccc(CN[C@H]2CCCc3c(F)cccc32)n1 ZINC000866237569 1124040007 /nfs/dbraw/zinc/04/00/07/1124040007.db2.gz DXXPEWROLGZBLK-KRWDZBQOSA-N 0 1 270.351 3.696 20 0 CHADMN Cc1cc(Br)c(CNC/C=C\C2CC2)s1 ZINC001202520827 1124042212 /nfs/dbraw/zinc/04/22/12/1124042212.db2.gz QYLZBEFBMFRJIW-IHWYPQMZSA-N 0 1 286.238 3.875 20 0 CHADMN Fc1cnccc1CN[C@@H]1CCSc2ccccc21 ZINC000336224032 1124042380 /nfs/dbraw/zinc/04/23/80/1124042380.db2.gz CCLLWKZUZYFCFR-CQSZACIVSA-N 0 1 274.364 3.547 20 0 CHADMN Fc1cnccc1CN[C@H]1CCc2c1cccc2Cl ZINC000336214520 1124043186 /nfs/dbraw/zinc/04/31/86/1124043186.db2.gz ZCPQVDHBJHYNKK-HNNXBMFYSA-N 0 1 276.742 3.651 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)cc2[nH]1 ZINC000475610897 1124046994 /nfs/dbraw/zinc/04/69/94/1124046994.db2.gz XZKQIWSALSZKBZ-JYAVWHMHSA-N 0 1 297.402 3.845 20 0 CHADMN CC(C)[C@@H](NCc1ccc2c(n1)CCCC2)c1ccccn1 ZINC000866349254 1124055393 /nfs/dbraw/zinc/05/53/93/1124055393.db2.gz XGKUTHYVGMWXHH-LJQANCHMSA-N 0 1 295.430 3.842 20 0 CHADMN Cc1cc(Cl)nc(CN[C@@H]2CCCc3ncccc32)c1 ZINC000866352052 1124056269 /nfs/dbraw/zinc/05/62/69/1124056269.db2.gz GIHROMOMYAVPGO-OAHLLOKOSA-N 0 1 287.794 3.606 20 0 CHADMN c1cn2c(n1)[C@@H](N[C@H]1CCc3cccc4cccc1c43)CC2 ZINC000866367275 1124058368 /nfs/dbraw/zinc/05/83/68/1124058368.db2.gz XLYHXABJVAYRDH-IRXDYDNUSA-N 0 1 289.382 3.758 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2nc(Cc3ccccc3)no2)C1 ZINC000444751717 1124060528 /nfs/dbraw/zinc/06/05/28/1124060528.db2.gz QJJPQSHBIBOHTA-MRXNPFEDSA-N 0 1 299.418 3.528 20 0 CHADMN CCc1ccccc1NC(=O)CN1CCC[C@@H](C(C)C)C1 ZINC000444769328 1124063035 /nfs/dbraw/zinc/06/30/35/1124063035.db2.gz HYKOLDQDWQKCDM-MRXNPFEDSA-N 0 1 288.435 3.556 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1CCCC12CCC2 ZINC000444786145 1124064322 /nfs/dbraw/zinc/06/43/22/1124064322.db2.gz SXGQIJTYFKMNJI-UHFFFAOYSA-N 0 1 292.810 3.605 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2[nH]1 ZINC000794920269 1124064779 /nfs/dbraw/zinc/06/47/79/1124064779.db2.gz IHGYZJPQUUMAQG-LSDHHAIUSA-N 0 1 291.354 3.614 20 0 CHADMN Fc1cccc(Cl)c1CN1CCCC12CCC2 ZINC000444787494 1124065186 /nfs/dbraw/zinc/06/51/86/1124065186.db2.gz RPBLFPSKJQEBLF-UHFFFAOYSA-N 0 1 253.748 3.998 20 0 CHADMN CCc1ccc(NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)cc1 ZINC000195600550 1124067002 /nfs/dbraw/zinc/06/70/02/1124067002.db2.gz RBMUGHSXRXDXIG-UHFFFAOYSA-N 0 1 295.342 3.793 20 0 CHADMN CCCc1ccc(CNCc2c(C)noc2C)s1 ZINC000621331274 1129164380 /nfs/dbraw/zinc/16/43/80/1129164380.db2.gz YQYIHLDBQWUKNU-UHFFFAOYSA-N 0 1 264.394 3.595 20 0 CHADMN Cc1nccnc1CNC(C)(C)c1ccc(C(C)C)cc1 ZINC000621334603 1129164421 /nfs/dbraw/zinc/16/44/21/1129164421.db2.gz LWQBMHANCPMUKG-UHFFFAOYSA-N 0 1 283.419 3.933 20 0 CHADMN CCC(CC)(CN[C@@H]1C[C@H](C)n2ccnc21)C(F)(F)F ZINC000866506293 1124074260 /nfs/dbraw/zinc/07/42/60/1124074260.db2.gz HLIARNSIHBDDRT-WDEREUQCSA-N 0 1 289.345 3.847 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2cnn(C(C)C)c2C)s1 ZINC000631708893 1124075638 /nfs/dbraw/zinc/07/56/38/1124075638.db2.gz RCNQSFJOIMLNHP-MNOVXSKESA-N 0 1 292.452 3.949 20 0 CHADMN CCOc1cccc(CNCc2cc(F)ccc2F)c1 ZINC000037679522 1129165288 /nfs/dbraw/zinc/16/52/88/1129165288.db2.gz FSIYFHSVZNQDES-UHFFFAOYSA-N 0 1 277.314 3.653 20 0 CHADMN C[C@@H](N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1cscn1 ZINC000866607648 1124086557 /nfs/dbraw/zinc/08/65/57/1124086557.db2.gz AMXGXZVAPJLMNK-OPRDCNLKSA-N 0 1 276.327 3.691 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@H]1NCc1noc2cc(F)ccc12 ZINC000866611134 1124088436 /nfs/dbraw/zinc/08/84/36/1124088436.db2.gz QSPNPHYEFIRRDP-ZMZPIMSZSA-N 0 1 296.345 3.990 20 0 CHADMN Cc1nc([C@@H](C)NC2([C@@H]3CCCCO3)CCC2)cs1 ZINC000866621785 1124090510 /nfs/dbraw/zinc/09/05/10/1124090510.db2.gz JYKWHVDTRYVXMV-RISCZKNCSA-N 0 1 280.437 3.594 20 0 CHADMN CC[C@@H]1CCCN(Cc2ccn(-c3ccccc3F)n2)C1 ZINC000445801066 1124101337 /nfs/dbraw/zinc/10/13/37/1124101337.db2.gz DOADLRARUHQFOT-CQSZACIVSA-N 0 1 287.382 3.633 20 0 CHADMN CO[C@@H](C)CN(Cc1cc(F)ccc1Cl)C(C)C ZINC000445818526 1124102803 /nfs/dbraw/zinc/10/28/03/1124102803.db2.gz LQBSMUZWFUSTCN-NSHDSACASA-N 0 1 273.779 3.724 20 0 CHADMN COC1(C[C@H](C)N[C@H](CF)c2ccc(F)cc2)CCC1 ZINC000631798423 1124107031 /nfs/dbraw/zinc/10/70/31/1124107031.db2.gz SJKUOYUHBNWZJA-SWLSCSKDSA-N 0 1 283.362 3.774 20 0 CHADMN Cc1ccccc1CCCN1CCC[C@@H]1c1ncccn1 ZINC000639843081 1124107631 /nfs/dbraw/zinc/10/76/31/1124107631.db2.gz MDARLWZHMIIOGH-QGZVFWFLSA-N 0 1 281.403 3.555 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN2CCCCC(C)(C)C2)c1 ZINC000446066623 1124108482 /nfs/dbraw/zinc/10/84/82/1124108482.db2.gz LTZZAUWUYLSDLP-UHFFFAOYSA-N 0 1 288.435 3.754 20 0 CHADMN Cc1nc(CN(c2ccccc2)[C@H](C)c2ccccc2)n[nH]1 ZINC000428430552 1124108895 /nfs/dbraw/zinc/10/88/95/1124108895.db2.gz NKQRNJZJQADPAF-CQSZACIVSA-N 0 1 292.386 3.881 20 0 CHADMN Cc1ccc(CSc2nc(C3CC3)n[nH]2)c(Cl)c1 ZINC000446075772 1124109245 /nfs/dbraw/zinc/10/92/45/1124109245.db2.gz BFPCCFOYQXEOCD-UHFFFAOYSA-N 0 1 279.796 3.936 20 0 CHADMN Cc1ccc(CSc2n[nH]c(C3CC3)n2)c(Cl)c1 ZINC000446075772 1124109246 /nfs/dbraw/zinc/10/92/46/1124109246.db2.gz BFPCCFOYQXEOCD-UHFFFAOYSA-N 0 1 279.796 3.936 20 0 CHADMN Cc1cc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c2ccccc2n1 ZINC000446071159 1124109461 /nfs/dbraw/zinc/10/94/61/1124109461.db2.gz PAUYAZAXFAYRQR-ZNMIVQPWSA-N 0 1 284.403 3.541 20 0 CHADMN CCCCc1nc(CN2CC[C@H](C(C)C)C2)cs1 ZINC000446711294 1124118622 /nfs/dbraw/zinc/11/86/22/1124118622.db2.gz LIFMKHPROFXEGT-ZDUSSCGKSA-N 0 1 266.454 3.964 20 0 CHADMN Cc1sc(NC(=O)CN2CC[C@H](C(C)C)C2)c(C)c1C ZINC000446732116 1124119445 /nfs/dbraw/zinc/11/94/45/1124119445.db2.gz OKMIAGBCNVYSFM-AWEZNQCLSA-N 0 1 294.464 3.590 20 0 CHADMN CC[C@H]1CCN(Cc2csc(-c3ccc(C)o3)n2)C1 ZINC000446734592 1124120093 /nfs/dbraw/zinc/12/00/93/1124120093.db2.gz GEZLQTOXXHAMQC-LBPRGKRZSA-N 0 1 276.405 3.943 20 0 CHADMN CCc1cnc(CN([C@@H](C)[C@H](C)CC)C2CC2)o1 ZINC000525275194 1124121529 /nfs/dbraw/zinc/12/15/29/1124121529.db2.gz VAURGUFBRNPZFV-NEPJUHHUSA-N 0 1 250.386 3.636 20 0 CHADMN C=Cn1cc(CN2[C@@H](C)Cc3cc(OC)ccc3[C@@H]2C)cn1 ZINC000446757744 1124122019 /nfs/dbraw/zinc/12/20/19/1124122019.db2.gz CVXFVWKHNBAXFE-KBPBESRZSA-N 0 1 297.402 3.500 20 0 CHADMN c1cc(CNCCc2nc(C3CCCCC3)cs2)no1 ZINC000634963427 1129167493 /nfs/dbraw/zinc/16/74/93/1129167493.db2.gz SRQLMNDPHILNLK-UHFFFAOYSA-N 0 1 291.420 3.511 20 0 CHADMN CCC(CC)[C@H](CCNc1cc(C)ccn1)OC ZINC000446877780 1124127239 /nfs/dbraw/zinc/12/72/39/1124127239.db2.gz ODFYHFMZVRPRKI-AWEZNQCLSA-N 0 1 250.386 3.643 20 0 CHADMN Cc1ccccc1-c1cccc(CN2CCOC[C@H]2C)c1 ZINC000446898406 1124127310 /nfs/dbraw/zinc/12/73/10/1124127310.db2.gz BGBBLFGMWYBOEF-MRXNPFEDSA-N 0 1 281.399 3.883 20 0 CHADMN CC(C)c1nc(CN(C)[C@@H](C)c2cccc(Cl)c2)n[nH]1 ZINC000428464234 1124130634 /nfs/dbraw/zinc/13/06/34/1124130634.db2.gz UVZLEAGLDIZRSM-NSHDSACASA-N 0 1 292.814 3.775 20 0 CHADMN Cc1ccc(CN(Cc2n[nH]c(C(C)C)n2)C(C)C)s1 ZINC000428462986 1124130675 /nfs/dbraw/zinc/13/06/75/1124130675.db2.gz MQJLYCWYHWNPQE-UHFFFAOYSA-N 0 1 292.452 3.709 20 0 CHADMN Cc1cccc(C)c1C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000447075574 1124132398 /nfs/dbraw/zinc/13/23/98/1124132398.db2.gz KPSDTRHUMIJECN-UHFFFAOYSA-N 0 1 299.418 3.596 20 0 CHADMN Cc1cnc([C@@H](C)N[C@@H](c2ccccc2)C(C)C)cn1 ZINC000428469941 1124133088 /nfs/dbraw/zinc/13/30/88/1124133088.db2.gz XLSPFJGGYFYARA-RHSMWYFYSA-N 0 1 269.392 3.833 20 0 CHADMN Fc1cccc(C2(CNCc3ccon3)CCCC2)c1F ZINC000634977817 1129168688 /nfs/dbraw/zinc/16/86/88/1129168688.db2.gz LKDILCNHWFXLBE-UHFFFAOYSA-N 0 1 292.329 3.554 20 0 CHADMN COc1ccc(F)c(CNCc2cc(C)ccc2C)c1 ZINC000621375365 1129168797 /nfs/dbraw/zinc/16/87/97/1129168797.db2.gz ZTGCKPDFEYOOKI-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN CC(C)OCCCN[C@@H](C(F)F)C1CCCCC1 ZINC000621404609 1129173907 /nfs/dbraw/zinc/17/39/07/1129173907.db2.gz ZBZSHBHPXSPUPB-CYBMUJFWSA-N 0 1 263.372 3.605 20 0 CHADMN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000414676795 1129175250 /nfs/dbraw/zinc/17/52/50/1129175250.db2.gz HQIOADDAPMEJHC-SFHVURJKSA-N 0 1 295.382 3.793 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@H]3OCCC[C@@H]3C2)c1Cl ZINC001238776573 1131244057 /nfs/dbraw/zinc/24/40/57/1131244057.db2.gz HWNXSRIDAYYNIZ-IUODEOHRSA-N 0 1 297.801 3.788 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@H+]1CCC2(CC2)C1 ZINC001238782039 1131245944 /nfs/dbraw/zinc/24/59/44/1131245944.db2.gz ZXJZKACIMRZEKY-UHFFFAOYSA-N 0 1 253.748 3.773 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CCC2(CC2)C1 ZINC001238782039 1131245947 /nfs/dbraw/zinc/24/59/47/1131245947.db2.gz ZXJZKACIMRZEKY-UHFFFAOYSA-N 0 1 253.748 3.773 20 0 CHADMN Cc1ccc(-n2[nH]c(C3CC(F)(F)C3)cc2=O)cc1C ZINC001245922804 1131246282 /nfs/dbraw/zinc/24/62/82/1131246282.db2.gz ABQORTQZOAFPTE-UHFFFAOYSA-N 0 1 278.302 3.707 20 0 CHADMN CO[C@H]1CCCN(Cc2cc(F)cc(C)c2Cl)CC1 ZINC001238780421 1131246725 /nfs/dbraw/zinc/24/67/25/1131246725.db2.gz FSRAZJOQWRJYAX-AWEZNQCLSA-N 0 1 285.790 3.788 20 0 CHADMN CO[C@@H]1CCN(Cc2cc(F)cc(C)c2Cl)[C@H](C)C1 ZINC001238784250 1131248265 /nfs/dbraw/zinc/24/82/65/1131248265.db2.gz NHRSONFAKLHQCW-BXUZGUMPSA-N 0 1 285.790 3.787 20 0 CHADMN Cc1cc(CN2CCC(Nc3ccccc3)CC2)sn1 ZINC001119234557 1131248325 /nfs/dbraw/zinc/24/83/25/1131248325.db2.gz DDEFEKZOINLYBJ-UHFFFAOYSA-N 0 1 287.432 3.528 20 0 CHADMN Cc1cc(OC(C)C)ncc1-c1cc2nc[nH]c2cc1F ZINC001238828331 1131250462 /nfs/dbraw/zinc/25/04/62/1131250462.db2.gz HNUJIIQVWAKVHP-UHFFFAOYSA-N 0 1 285.322 3.860 20 0 CHADMN CCCCc1cc(=O)n(-c2cc(Cl)ccc2F)[nH]1 ZINC001245926772 1131252059 /nfs/dbraw/zinc/25/20/59/1131252059.db2.gz LAUHKDVPLQIZSN-UHFFFAOYSA-N 0 1 268.719 3.713 20 0 CHADMN Cc1ccc(-n2[nH]c(CC(C)(C)C)cc2=O)c(F)c1 ZINC001245932880 1131254041 /nfs/dbraw/zinc/25/40/41/1131254041.db2.gz PLSUXTOEMBFMKD-UHFFFAOYSA-N 0 1 262.328 3.614 20 0 CHADMN Cc1cccc(-c2noc(CN3CCC[C@H](C)[C@@H]3C)n2)c1 ZINC000525634663 1124451572 /nfs/dbraw/zinc/45/15/72/1124451572.db2.gz JJZRNPDQCQDEQU-KBPBESRZSA-N 0 1 285.391 3.665 20 0 CHADMN Cc1ccc(NC(=O)CN2C[C@H](C)CCC[C@H]2C)c(F)c1 ZINC000525638157 1124451779 /nfs/dbraw/zinc/45/17/79/1124451779.db2.gz VDAZPCXBHWTPQP-ZIAGYGMSSA-N 0 1 292.398 3.583 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@H]2CCSC2)c(Cl)c1 ZINC000447305733 1124464673 /nfs/dbraw/zinc/46/46/73/1124464673.db2.gz MRCMBZOEMORFTE-LBPRGKRZSA-N 0 1 255.814 3.586 20 0 CHADMN Cc1ccc(CN(C)[C@H]2CCSC2)c(Cl)c1 ZINC000447305733 1124464677 /nfs/dbraw/zinc/46/46/77/1124464677.db2.gz MRCMBZOEMORFTE-LBPRGKRZSA-N 0 1 255.814 3.586 20 0 CHADMN CCOCCN(CC)Cc1ccc(C)cc1Cl ZINC000447343580 1124466134 /nfs/dbraw/zinc/46/61/34/1124466134.db2.gz OLCCAUNBJDDRCV-UHFFFAOYSA-N 0 1 255.789 3.507 20 0 CHADMN CCN(Cc1ccc(C)cc1Cl)C[C@H]1CCCO1 ZINC000447345795 1124466393 /nfs/dbraw/zinc/46/63/93/1124466393.db2.gz QXMQIOBIYVZFSS-CQSZACIVSA-N 0 1 267.800 3.649 20 0 CHADMN CCCN(Cc1cnoc1C)Cc1ccc(C)cc1 ZINC000525833306 1124470609 /nfs/dbraw/zinc/47/06/09/1124470609.db2.gz ZFLWBUZEEIQJTG-UHFFFAOYSA-N 0 1 258.365 3.704 20 0 CHADMN O=C(Nc1ccsc1Cl)c1cc(-c2ccoc2)n[nH]1 ZINC000525872445 1124477948 /nfs/dbraw/zinc/47/79/48/1124477948.db2.gz OCTCGVYCJBHWEV-UHFFFAOYSA-N 0 1 293.735 3.637 20 0 CHADMN COc1cccc(C=C2CCN(CC3(F)CC3)CC2)c1 ZINC000525980366 1124490199 /nfs/dbraw/zinc/49/01/99/1124490199.db2.gz CYHIGRRWOREZMJ-UHFFFAOYSA-N 0 1 275.367 3.677 20 0 CHADMN CCN(Cc1c[nH]c2ccccc12)[C@H](C)c1cnc(C)cn1 ZINC000428490807 1124490807 /nfs/dbraw/zinc/49/08/07/1124490807.db2.gz PETNROOILFRKEB-CQSZACIVSA-N 0 1 294.402 3.849 20 0 CHADMN COC(=O)c1ccc(CN(C)[C@H](C)c2ccc(C)cc2)o1 ZINC000339086785 1124495831 /nfs/dbraw/zinc/49/58/31/1124495831.db2.gz XWLZWVDAFNNMHZ-CYBMUJFWSA-N 0 1 287.359 3.568 20 0 CHADMN Cc1ccc(CN2CCSC[C@H]2C)cc1Cl ZINC000447740457 1124521165 /nfs/dbraw/zinc/52/11/65/1124521165.db2.gz JNYQQIAAHDDPAM-LLVKDONJSA-N 0 1 255.814 3.586 20 0 CHADMN FC(F)(F)c1ncc(CN2C[C@H]3CCCC[C@@H]3C2)s1 ZINC000447740267 1124521721 /nfs/dbraw/zinc/52/17/21/1124521721.db2.gz HGIQCPZPLJPVFK-NXEZZACHSA-N 0 1 290.354 3.784 20 0 CHADMN CC(C)Oc1ccc(CN2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000447826118 1124529369 /nfs/dbraw/zinc/52/93/69/1124529369.db2.gz HOLLSJSFJFLVFB-KRWDZBQOSA-N 0 1 291.435 3.721 20 0 CHADMN COCCN(CC[C@@H]1CCC[C@@H](C)C1)Cc1cncs1 ZINC000447847195 1124530538 /nfs/dbraw/zinc/53/05/38/1124530538.db2.gz YNRYIUNJSLHQMN-CABCVRRESA-N 0 1 296.480 3.808 20 0 CHADMN Fc1ccc2c(c1)nccc2NC[C@@H]1CCSC1 ZINC000447813415 1124531114 /nfs/dbraw/zinc/53/11/14/1124531114.db2.gz RSESKNIDIXPECS-JTQLQIEISA-N 0 1 262.353 3.539 20 0 CHADMN CC[C@@H](O)[C@H]1CCCCN1Cc1ccc(Cl)c(F)c1 ZINC000526942108 1124531200 /nfs/dbraw/zinc/53/12/00/1124531200.db2.gz KCAXBSBXZJKQSI-HUUCEWRRSA-N 0 1 285.790 3.605 20 0 CHADMN Cc1cc(CN2CCO[C@@H](C(C)(C)C)C2)c2ccccc2n1 ZINC000447842150 1124533858 /nfs/dbraw/zinc/53/38/58/1124533858.db2.gz ADGAZLSIJYOTBE-GOSISDBHSA-N 0 1 298.430 3.790 20 0 CHADMN Cc1cc2[nH]cnc2cc1-c1cc(OC(C)C)cnc1F ZINC001238893648 1131267024 /nfs/dbraw/zinc/26/70/24/1131267024.db2.gz UFAOAZFVXYRYOK-UHFFFAOYSA-N 0 1 285.322 3.860 20 0 CHADMN CC1(C)C[C@@H](c2ccccc2)N(CN2CCSC2=O)C1 ZINC000819901081 1131267169 /nfs/dbraw/zinc/26/71/69/1131267169.db2.gz QXSTWMJNRIHQSS-AWEZNQCLSA-N 0 1 290.432 3.586 20 0 CHADMN CCc1cnc(CN[C@H]2CCC[C@@H]2c2ccccc2)o1 ZINC000527078470 1124548457 /nfs/dbraw/zinc/54/84/57/1124548457.db2.gz VBRAJKJAFDURCA-CVEARBPZSA-N 0 1 270.376 3.663 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2ccn(-c3ccccc3F)n2)C1 ZINC000527074485 1124549377 /nfs/dbraw/zinc/54/93/77/1124549377.db2.gz DPKIGAZQTYXOSC-KGLIPLIRSA-N 0 1 287.382 3.632 20 0 CHADMN CS[C@@H]1CC[C@H](Nc2cc[nH+]c3c([O-])cccc23)C1 ZINC000795102710 1124549823 /nfs/dbraw/zinc/54/98/23/1124549823.db2.gz RLPRDKIQTNUFJC-WDEREUQCSA-N 0 1 274.389 3.636 20 0 CHADMN CC1(C)[C@H](NCc2cscn2)C[C@@H]1c1ccccc1 ZINC000123093471 1124561964 /nfs/dbraw/zinc/56/19/64/1124561964.db2.gz OMDGTRZAJCYENU-HUUCEWRRSA-N 0 1 272.417 3.815 20 0 CHADMN CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1F ZINC000527298535 1124566954 /nfs/dbraw/zinc/56/69/54/1124566954.db2.gz WFLNZAIEQJMRRY-GJZGRUSLSA-N 0 1 285.790 3.605 20 0 CHADMN CC[C@H](O)[C@@H]1CCCCN1Cc1cc(Cl)ccc1F ZINC000527298535 1124566957 /nfs/dbraw/zinc/56/69/57/1124566957.db2.gz WFLNZAIEQJMRRY-GJZGRUSLSA-N 0 1 285.790 3.605 20 0 CHADMN C[C@H](NCc1ccccc1CO)c1csc(Cl)c1 ZINC000527292286 1124568153 /nfs/dbraw/zinc/56/81/53/1124568153.db2.gz AIBVAHBWXVWDKH-JTQLQIEISA-N 0 1 281.808 3.745 20 0 CHADMN CCOc1ccccc1N(C)Cc1ccc2nc[nH]c2c1 ZINC000527362494 1124576188 /nfs/dbraw/zinc/57/61/88/1124576188.db2.gz YAQKWRKCQRIHCV-UHFFFAOYSA-N 0 1 281.359 3.598 20 0 CHADMN CCC(CC)n1ccc(CN2C[C@@H](C)C[C@H](C)C2)n1 ZINC000448518191 1124583286 /nfs/dbraw/zinc/58/32/86/1124583286.db2.gz AECZBAMVLGNJLO-KBPBESRZSA-N 0 1 263.429 3.722 20 0 CHADMN Cc1ccc(CNCc2c(C)oc3ccccc32)o1 ZINC000123302894 1124583849 /nfs/dbraw/zinc/58/38/49/1124583849.db2.gz NGIVCXRCVHDYGM-UHFFFAOYSA-N 0 1 255.317 3.932 20 0 CHADMN Cc1nc2c[nH]cc(-c3cnc(OCC(C)C)c(C)c3)c-2n1 ZINC001238923472 1131270456 /nfs/dbraw/zinc/27/04/56/1131270456.db2.gz KAKZAIXTDRJEIJ-UHFFFAOYSA-N 0 1 296.374 3.672 20 0 CHADMN Cc1nc2c(cncc2-c2cnc(OCC(C)C)c(C)c2)[nH]1 ZINC001238923472 1131270460 /nfs/dbraw/zinc/27/04/60/1131270460.db2.gz KAKZAIXTDRJEIJ-UHFFFAOYSA-N 0 1 296.374 3.672 20 0 CHADMN C[C@@H](NCc1ccn(C)c1)c1csc(C(F)(F)F)c1 ZINC000925216685 1124622224 /nfs/dbraw/zinc/62/22/24/1124622224.db2.gz ZJAQLCOJPNOLOI-SECBINFHSA-N 0 1 288.338 3.956 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1ccncc1F ZINC000449027184 1124633490 /nfs/dbraw/zinc/63/34/90/1124633490.db2.gz HSMRABBUWABNEA-GFCCVEGCSA-N 0 1 292.785 3.937 20 0 CHADMN CCn1nnc(C)c1C[N@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000449028924 1124634131 /nfs/dbraw/zinc/63/41/31/1124634131.db2.gz NAHAWPWNAGZEKI-KRWDZBQOSA-N 0 1 298.434 3.560 20 0 CHADMN C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1ccncc1F ZINC000449029421 1124634375 /nfs/dbraw/zinc/63/43/75/1124634375.db2.gz OPKUECVSGXFSMU-ZBFHGGJFSA-N 0 1 284.378 3.674 20 0 CHADMN Cc1cccc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c1F ZINC000449035241 1124636184 /nfs/dbraw/zinc/63/61/84/1124636184.db2.gz NEKSNGIRCBFHQY-KRWDZBQOSA-N 0 1 287.378 3.690 20 0 CHADMN Cc1cccc(CN(C)[C@@H](CCO)c2ccccc2)c1F ZINC000449035241 1124636186 /nfs/dbraw/zinc/63/61/86/1124636186.db2.gz NEKSNGIRCBFHQY-KRWDZBQOSA-N 0 1 287.378 3.690 20 0 CHADMN CC(C)[C@](C)(Cc1ccccc1)c1nc(C2(N)CCC2)no1 ZINC000871786693 1124636375 /nfs/dbraw/zinc/63/63/75/1124636375.db2.gz GNWUWAPPKOXROO-KRWDZBQOSA-N 0 1 299.418 3.564 20 0 CHADMN CC(C)CC[C@H]1CCC[N@H+]1Cc1ccncc1F ZINC000449034619 1124636711 /nfs/dbraw/zinc/63/67/11/1124636711.db2.gz DATNJSAOVNORMP-CQSZACIVSA-N 0 1 250.361 3.621 20 0 CHADMN C[C@H]1CN(Cc2ccncc2F)CC[C@H]1c1ccccc1 ZINC000449025387 1124639608 /nfs/dbraw/zinc/63/96/08/1124639608.db2.gz BIPGRHXKLOPHFM-WMLDXEAASA-N 0 1 284.378 3.846 20 0 CHADMN CSCCC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000026266523 1124645615 /nfs/dbraw/zinc/64/56/15/1124645615.db2.gz DVEBRSKUKFBKSK-UHFFFAOYSA-N 0 1 291.420 3.552 20 0 CHADMN Cc1scc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2C)c1C ZINC000871883812 1124650770 /nfs/dbraw/zinc/65/07/70/1124650770.db2.gz YTZASLHEPDDGBX-OAHLLOKOSA-N 0 1 289.400 3.589 20 0 CHADMN C[C@H](c1ccccc1)n1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC000871948750 1124654709 /nfs/dbraw/zinc/65/47/09/1124654709.db2.gz BFAJDAMBJPVZLY-OCCSQVGLSA-N 0 1 270.376 3.772 20 0 CHADMN Cc1[nH]n(-c2cccc3ccccc32)c(=O)c1C1CC1 ZINC000871946551 1124654729 /nfs/dbraw/zinc/65/47/29/1124654729.db2.gz FEJHTZRLSRWHBA-MRXNPFEDSA-N 0 1 264.328 3.589 20 0 CHADMN Fc1ccc(C2(NCc3ccnn3C3CCCC3)CC2)cc1 ZINC000449134268 1124654747 /nfs/dbraw/zinc/65/47/47/1124654747.db2.gz HYCFAVDEJNUHPV-UHFFFAOYSA-N 0 1 299.393 3.916 20 0 CHADMN C[C@H]1CCc2c(=O)n(-c3cccc4ccccc43)[nH]c21 ZINC000871946936 1124654893 /nfs/dbraw/zinc/65/48/93/1124654893.db2.gz KQIINOKNEBSHFE-FZMZJTMJSA-N 0 1 264.328 3.589 20 0 CHADMN CCCCCC[C@H](C)n1[nH]c(C[C@H]2CCCO2)cc1=O ZINC000871960067 1124656077 /nfs/dbraw/zinc/65/60/77/1124656077.db2.gz ULAJZNDIJRNCIL-DZGCQCFKSA-N 0 1 280.412 3.503 20 0 CHADMN C[C@@H](N[C@H](C)c1cc(O)ccc1F)c1ccccc1 ZINC000872017202 1124657097 /nfs/dbraw/zinc/65/70/97/1124657097.db2.gz WDKQPINUKHMMEN-VXGBXAGGSA-N 0 1 259.324 3.943 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccccc21)c1cccc(O)c1F ZINC000872019624 1124658207 /nfs/dbraw/zinc/65/82/07/1124658207.db2.gz XQKNNQJTUIMWTC-IAQYHMDHSA-N 0 1 271.335 3.869 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cccc(O)c2F)c(C)c1 ZINC000872025284 1124659224 /nfs/dbraw/zinc/65/92/24/1124659224.db2.gz JUHHBWVTCVOBET-CYBMUJFWSA-N 0 1 273.351 3.999 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cccc(O)c2F)s1 ZINC000872025596 1124659389 /nfs/dbraw/zinc/65/93/89/1124659389.db2.gz PTAXWENWAYPISC-SNVBAGLBSA-N 0 1 265.353 3.752 20 0 CHADMN CCc1cc(CN[C@H](c2ccc(F)cc2F)C(C)C)[nH]n1 ZINC000872033017 1124661767 /nfs/dbraw/zinc/66/17/67/1124661767.db2.gz APPAXGDLZRKRSL-INIZCTEOSA-N 0 1 293.361 3.737 20 0 CHADMN CCc1ccc(C(C)(C)NCc2ccncc2F)cc1 ZINC000449188099 1124664299 /nfs/dbraw/zinc/66/42/99/1124664299.db2.gz RRFZJDCCGRPCCU-UHFFFAOYSA-N 0 1 272.367 3.808 20 0 CHADMN C[C@@H]1CCCCN(Cc2cccnc2C(F)(F)F)C1 ZINC000528457913 1124669881 /nfs/dbraw/zinc/66/98/81/1124669881.db2.gz QLYMIXNSCTWFND-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@H](C)c1cc(O)ccc1F ZINC000872062055 1124671214 /nfs/dbraw/zinc/67/12/14/1124671214.db2.gz CIZNBARPWFBNCM-HTQZYQBOSA-N 0 1 265.250 3.523 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cc(CO)ccc2F)c1 ZINC000528475786 1124675011 /nfs/dbraw/zinc/67/50/11/1124675011.db2.gz LWJMFANZFPMMOO-UHFFFAOYSA-N 0 1 287.378 3.567 20 0 CHADMN COc1cc(C)ccc1CN(C)[C@@H](C)c1ccncc1 ZINC000449237322 1124677900 /nfs/dbraw/zinc/67/79/00/1124677900.db2.gz BKCWTQIOFNUAOY-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN CN(Cc1ncccc1Cl)[C@H]1CCC(C)(C)C1 ZINC000528485667 1124678636 /nfs/dbraw/zinc/67/86/36/1124678636.db2.gz LUCPEOUDHKNJQM-NSHDSACASA-N 0 1 252.789 3.746 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NC/C=C(\C)Cl ZINC000528520909 1124681785 /nfs/dbraw/zinc/68/17/85/1124681785.db2.gz OWTHURGLRJBVRS-VNKGSWCUSA-N 0 1 253.773 3.797 20 0 CHADMN CC(C)(C)c1ccc(CN[C@@H]2CCCn3ccnc32)s1 ZINC000872105447 1124683734 /nfs/dbraw/zinc/68/37/34/1124683734.db2.gz BUJVXYXTAGREQF-CYBMUJFWSA-N 0 1 289.448 3.867 20 0 CHADMN C/C(Cl)=C\CN1CCCC[C@@H]1c1n[nH]c(C(C)C)n1 ZINC000528505139 1124684621 /nfs/dbraw/zinc/68/46/21/1124684621.db2.gz QLCDSIWPOURKMC-YTRUQHMWSA-N 0 1 282.819 3.598 20 0 CHADMN COc1cc(C)ccc1CN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000449295851 1124685557 /nfs/dbraw/zinc/68/55/57/1124685557.db2.gz VRJKQHLIRSSAKD-WCQYABFASA-N 0 1 287.325 3.776 20 0 CHADMN Cc1cc(CN2CC(C)(C)O[C@@H]3CCC[C@H]32)cs1 ZINC000449306513 1124687074 /nfs/dbraw/zinc/68/70/74/1124687074.db2.gz WPLHKQYCWWKRRE-ZIAGYGMSSA-N 0 1 265.422 3.588 20 0 CHADMN CCC[C@@H](NCc1ccc2oc(=O)[nH]c2c1)c1ccccn1 ZINC000872122665 1124689255 /nfs/dbraw/zinc/68/92/55/1124689255.db2.gz HLBQXRAFDHHVIB-CYBMUJFWSA-N 0 1 297.358 3.559 20 0 CHADMN C[C@@H]([C@@H]1Cc2ccccc21)N(C)Cc1ncccc1Cl ZINC000528560351 1124689931 /nfs/dbraw/zinc/68/99/31/1124689931.db2.gz IPMHUMJMYPXNDT-WFASDCNBSA-N 0 1 286.806 3.895 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1ccc(C)cc1OC ZINC000449327675 1124689987 /nfs/dbraw/zinc/68/99/87/1124689987.db2.gz CJQUNYLLUWOLCK-QGZVFWFLSA-N 0 1 284.403 3.982 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000872131492 1124691355 /nfs/dbraw/zinc/69/13/55/1124691355.db2.gz VJORYGZPYUYGLM-DTWKUNHWSA-N 0 1 298.312 3.544 20 0 CHADMN Cc1cccc(CN2CCC[C@@H]2c2cccnc2)c1F ZINC000449318578 1124692181 /nfs/dbraw/zinc/69/21/81/1124692181.db2.gz HCXNNULLNZYOAB-MRXNPFEDSA-N 0 1 270.351 3.866 20 0 CHADMN COc1cc(C)ccc1CN1CCC[C@H]1c1ccncc1 ZINC000449319152 1124693313 /nfs/dbraw/zinc/69/33/13/1124693313.db2.gz JABIYSHBWYMCAJ-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN COCCC1CCN(Cc2ccc(OC)cc2Cl)CC1 ZINC000528577615 1124696015 /nfs/dbraw/zinc/69/60/15/1124696015.db2.gz QBDHZTBFYWJFDM-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN C[C@H]1CCC[C@H](CC[N@H+]2CC[C@]3(C(=O)[O-])CCC[C@H]23)C1 ZINC000872167494 1124696481 /nfs/dbraw/zinc/69/64/81/1124696481.db2.gz DOHPPWAVBNNHPT-QSJFSLAZSA-N 0 1 279.424 3.532 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000872159553 1124696587 /nfs/dbraw/zinc/69/65/87/1124696587.db2.gz WDAZLIZRDNFABZ-SMDDNHRTSA-N 0 1 281.421 3.847 20 0 CHADMN CC(C)n1nccc1CN[C@@H]1CCCc2c(F)cccc21 ZINC000449348893 1124697010 /nfs/dbraw/zinc/69/70/10/1124697010.db2.gz HUGTXLXQSUEIQO-QGZVFWFLSA-N 0 1 287.382 3.770 20 0 CHADMN Cc1c(Cl)ccc2c1C[N@@H+]([C@@H](CC(C)C)C(=O)[O-])CC2 ZINC000872165912 1124697145 /nfs/dbraw/zinc/69/71/45/1124697145.db2.gz OIFFJHSBLBUEFV-HNNXBMFYSA-N 0 1 295.810 3.506 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccc(C)c(C(=O)[O-])c2)C1 ZINC000872161452 1124697175 /nfs/dbraw/zinc/69/71/75/1124697175.db2.gz TXGJPJMUXNHWOC-NHZBNJEXSA-N 0 1 287.403 3.871 20 0 CHADMN COCc1ccc(CN[C@H]2CCCc3c(F)cccc32)o1 ZINC000449351496 1124698199 /nfs/dbraw/zinc/69/81/99/1124698199.db2.gz PWAWLEPIPKKZQM-KRWDZBQOSA-N 0 1 289.350 3.732 20 0 CHADMN Cc1cc(CN2CCC[C@](C)(F)C2)cc2cccnc12 ZINC000449352107 1124699409 /nfs/dbraw/zinc/69/94/09/1124699409.db2.gz SLFXAGGGSQGHAN-KRWDZBQOSA-N 0 1 272.367 3.867 20 0 CHADMN Cc1nc(CN2CCC[C@H](OC3CCC3)CC2)sc1C ZINC000872281537 1124700630 /nfs/dbraw/zinc/70/06/30/1124700630.db2.gz UCGBHRFXWZQRDO-HNNXBMFYSA-N 0 1 294.464 3.684 20 0 CHADMN CC[C@H](N[C@H](C)[C@H](C)c1ccc(OC)cc1)C(F)F ZINC000449366689 1124701187 /nfs/dbraw/zinc/70/11/87/1124701187.db2.gz ZVJSXDKOBLCFCC-WDMOLILDSA-N 0 1 271.351 3.821 20 0 CHADMN Cc1oc2ccccc2c1CN[C@](C)(CO)c1ccccc1 ZINC000389612960 1124708669 /nfs/dbraw/zinc/70/86/69/1124708669.db2.gz YLLUALLSGVFHLW-LJQANCHMSA-N 0 1 295.382 3.739 20 0 CHADMN COC[C@@]1(C)CCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000449392863 1124714123 /nfs/dbraw/zinc/71/41/23/1124714123.db2.gz LHZRATYVVWAZQI-AWEZNQCLSA-N 0 1 288.218 3.852 20 0 CHADMN COC[C@@]1(C)CCN(Cc2cccc(Cl)c2Cl)C1 ZINC000449389962 1124721022 /nfs/dbraw/zinc/72/10/22/1124721022.db2.gz FIGBLSOIEMAIQN-AWEZNQCLSA-N 0 1 288.218 3.852 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1ccc(N3CCCC3)o1)CC2 ZINC001137061701 1124724215 /nfs/dbraw/zinc/72/42/15/1124724215.db2.gz XPNZZACGJGZNNR-UHFFFAOYSA-N 0 1 296.414 3.747 20 0 CHADMN CC[C@@H](CN1CC(C)(C)[C@@H]1c1nccn1C)c1ccccc1 ZINC000449416656 1124724251 /nfs/dbraw/zinc/72/42/51/1124724251.db2.gz UUVPCFSRJZXOKJ-RDJZCZTQSA-N 0 1 297.446 3.997 20 0 CHADMN Cn1ccnc1[C@@H]1N(CC2CCCCCC2)CC1(C)C ZINC000449416705 1124724378 /nfs/dbraw/zinc/72/43/78/1124724378.db2.gz VHOLMELTEBUFPD-HNNXBMFYSA-N 0 1 275.440 3.773 20 0 CHADMN Cc1ccc(-c2ncc(CN3CC[C@H]3C3CC3)s2)o1 ZINC000449428126 1124735947 /nfs/dbraw/zinc/73/59/47/1124735947.db2.gz QMFNZRCATQTEEE-ZDUSSCGKSA-N 0 1 274.389 3.696 20 0 CHADMN Cc1cc2cc(CNC3(CF)CCOCC3)oc2cc1C ZINC000449446449 1124740787 /nfs/dbraw/zinc/74/07/87/1124740787.db2.gz RDICTSJFCKUTEL-UHFFFAOYSA-N 0 1 291.366 3.658 20 0 CHADMN CCCN(CCC)c1ccc(NCc2ccon2)cc1 ZINC000873134057 1124741974 /nfs/dbraw/zinc/74/19/74/1124741974.db2.gz WXIWDHNUSUEBPV-UHFFFAOYSA-N 0 1 273.380 3.913 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN(C)[C@H](CO)c2ccccc2)o1 ZINC000449454638 1124744227 /nfs/dbraw/zinc/74/42/27/1124744227.db2.gz PGTMJDHPXWFQFW-KBRIMQKVSA-N 0 1 285.387 3.568 20 0 CHADMN C[C@H](NCc1cccc(O)c1)c1ccc(C(F)(F)F)nc1 ZINC000873186106 1124746525 /nfs/dbraw/zinc/74/65/25/1124746525.db2.gz FBOJGAWBQCBKCW-JTQLQIEISA-N 0 1 296.292 3.657 20 0 CHADMN COc1ccc(CN2CCC(CF)CC2)cc1Cl ZINC000449459535 1124747587 /nfs/dbraw/zinc/74/75/87/1124747587.db2.gz QKZJNDPSIGICFM-UHFFFAOYSA-N 0 1 271.763 3.530 20 0 CHADMN CC(C)n1nccc1CNc1nc2ccc(Cl)cc2[nH]1 ZINC000873188270 1124749728 /nfs/dbraw/zinc/74/97/28/1124749728.db2.gz HDKZKAAKWPZODU-UHFFFAOYSA-N 0 1 289.770 3.606 20 0 CHADMN CC[C@@H](CC(C)C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000449469871 1124751131 /nfs/dbraw/zinc/75/11/31/1124751131.db2.gz VMPFWTOZLURESE-DZGCQCFKSA-N 0 1 296.480 3.539 20 0 CHADMN Cn1c2ccc(Cl)cc2nc1CNC1(C)CC(F)(F)C1 ZINC000873197494 1124751230 /nfs/dbraw/zinc/75/12/30/1124751230.db2.gz ARWXYAADUOBNDG-UHFFFAOYSA-N 0 1 299.752 3.504 20 0 CHADMN CC1(NCc2cc(O)cc(C(F)(F)F)c2)CC(F)(F)C1 ZINC000873198086 1124751829 /nfs/dbraw/zinc/75/18/29/1124751829.db2.gz ZVXWPTJBESOHNN-UHFFFAOYSA-N 0 1 295.251 3.688 20 0 CHADMN Cc1csc(CNCc2nc3c(s2)C[C@H](C)CC3)c1 ZINC000449473819 1124753718 /nfs/dbraw/zinc/75/37/18/1124753718.db2.gz CNOVVYONAGMGOV-SNVBAGLBSA-N 0 1 292.473 3.928 20 0 CHADMN CCO[C@@H]1CCN(Cc2c(Cl)cccc2OC)C[C@@H]1C ZINC000449492901 1124761512 /nfs/dbraw/zinc/76/15/12/1124761512.db2.gz KJERZRHFHOHPKN-SWLSCSKDSA-N 0 1 297.826 3.596 20 0 CHADMN CCO[C@H]1CCN(Cc2ccc(F)c(Cl)c2)C[C@H]1C ZINC000449494230 1124768093 /nfs/dbraw/zinc/76/80/93/1124768093.db2.gz GIDMOSBHLHGIAJ-ABAIWWIYSA-N 0 1 285.790 3.726 20 0 CHADMN ClC1(Cl)C[C@@H]1CCN1CCC=C(c2cccnc2)C1 ZINC000823128019 1131416420 /nfs/dbraw/zinc/41/64/20/1131416420.db2.gz CFPLNIZHNUZDGN-AWEZNQCLSA-N 0 1 297.229 3.755 20 0 CHADMN Cc1nnc(-c2ccc(-c3cc4nc[nH]c4cc3F)cc2)o1 ZINC001239017500 1131290089 /nfs/dbraw/zinc/29/00/89/1131290089.db2.gz AOWKSAWCBYGHDX-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1nnc(-c2ccc(-c3cc4[nH]cnc4cc3C)cc2)o1 ZINC001239017527 1131290276 /nfs/dbraw/zinc/29/02/76/1131290276.db2.gz MPBFGDSYXQNGON-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN CC(C)n1ccc(-c2cc(N3CCCC3)ccn2)c1 ZINC001239067074 1131299102 /nfs/dbraw/zinc/29/91/02/1131299102.db2.gz CCTHYOVCCFLURM-UHFFFAOYSA-N 0 1 255.365 3.731 20 0 CHADMN CC(C)C[C@@H](C)OC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000820767362 1131301225 /nfs/dbraw/zinc/30/12/25/1131301225.db2.gz AOKDQUFALZLFQX-OLZOCXBDSA-N 0 1 298.452 3.512 20 0 CHADMN CCOC(=O)[C@H]1CCC[C@@H]1Nc1nccc2cc(C)ccc21 ZINC001170954003 1131302713 /nfs/dbraw/zinc/30/27/13/1131302713.db2.gz KWJRUAVFZXTYEF-HOTGVXAUSA-N 0 1 298.386 3.687 20 0 CHADMN CCc1ncc(CNCc2ccc(OC)c3ccccc23)o1 ZINC000449607415 1124815048 /nfs/dbraw/zinc/81/50/48/1124815048.db2.gz AUJIYXRCEJUBRX-UHFFFAOYSA-N 0 1 296.370 3.689 20 0 CHADMN CCCc1csc(CN2CCC[C@@]3(CCSC3)C2)n1 ZINC000449729290 1124848053 /nfs/dbraw/zinc/84/80/53/1124848053.db2.gz AEWCTMIOWWSTTM-OAHLLOKOSA-N 0 1 296.505 3.815 20 0 CHADMN CCn1nccc1CN1CCC[C@@H]1c1ccc(F)cc1C ZINC000449732825 1124849808 /nfs/dbraw/zinc/84/98/08/1124849808.db2.gz MVAWLUNIBDIVKH-QGZVFWFLSA-N 0 1 287.382 3.688 20 0 CHADMN C=Cn1cc(CN2CCC[C@@H]2c2ccc(F)cc2C)cn1 ZINC000449734557 1124851972 /nfs/dbraw/zinc/85/19/72/1124851972.db2.gz RWPGLJWSUWGRDG-QGZVFWFLSA-N 0 1 285.366 3.768 20 0 CHADMN Fc1ccc(CN2CCC[C@]3(CCSC3)C2)cc1F ZINC000449732685 1124853302 /nfs/dbraw/zinc/85/33/02/1124853302.db2.gz MFIWTWOBBXRQJJ-HNNXBMFYSA-N 0 1 283.387 3.684 20 0 CHADMN Cc1n[nH]cc1CN1CCC[C@H]1c1ccc(F)cc1C ZINC000449736746 1124855014 /nfs/dbraw/zinc/85/50/14/1124855014.db2.gz XLEHZBBGJQXOFV-INIZCTEOSA-N 0 1 273.355 3.503 20 0 CHADMN Clc1cccc([C@H]2CC[C@H](NCc3cocn3)C2)c1 ZINC000449773684 1124868223 /nfs/dbraw/zinc/86/82/23/1124868223.db2.gz NJUGSLRESRIAHM-JSGCOSHPSA-N 0 1 276.767 3.754 20 0 CHADMN CCCCCCOC(=O)Nc1ccc2nc[nH]c2c1 ZINC001239315075 1131315469 /nfs/dbraw/zinc/31/54/69/1131315469.db2.gz NASYAKWSZIGQKE-UHFFFAOYSA-N 0 1 261.325 3.692 20 0 CHADMN CC(C)(C(=O)Nc1cccc(Cl)c1O)C(C)(F)F ZINC000449857205 1124882385 /nfs/dbraw/zinc/88/23/85/1124882385.db2.gz QKYUWIXTAJZFQN-UHFFFAOYSA-N 0 1 277.698 3.666 20 0 CHADMN Fc1cccc(C2CCN(Cc3ccns3)CC2)c1 ZINC000876723996 1124972483 /nfs/dbraw/zinc/97/24/83/1124972483.db2.gz KLTFKXKCFVBSKC-UHFFFAOYSA-N 0 1 276.380 3.662 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1Cc1ccc(Cl)nn1 ZINC000876756002 1124974171 /nfs/dbraw/zinc/97/41/71/1124974171.db2.gz OTSCHONAFBIOLD-DGCLKSJQSA-N 0 1 267.804 3.531 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1ccc(Cl)nn1 ZINC000876745992 1124975379 /nfs/dbraw/zinc/97/53/79/1124975379.db2.gz NWSUSLFDQFEVLS-TZMCWYRMSA-N 0 1 287.794 3.508 20 0 CHADMN Cc1ccc([C@@H](NCc2ccc(Cl)nn2)C2CC2)cc1 ZINC000876920873 1124990080 /nfs/dbraw/zinc/99/00/80/1124990080.db2.gz DVGVHEGIPLXUSE-MRXNPFEDSA-N 0 1 287.794 3.679 20 0 CHADMN CCCCCN(Cc1cnns1)[C@@H](C)CCC ZINC000450336828 1124992753 /nfs/dbraw/zinc/99/27/53/1124992753.db2.gz BOXYPIZCSYQANW-LBPRGKRZSA-N 0 1 255.431 3.719 20 0 CHADMN Clc1ccc2c(c1)CC[C@H]2NCc1ccc(Cl)nn1 ZINC000876973456 1124993339 /nfs/dbraw/zinc/99/33/39/1124993339.db2.gz HASSEBDQZNQWLV-CYBMUJFWSA-N 0 1 294.185 3.561 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C(C)(C)C3CCC3)ccc12 ZINC000450365194 1124994237 /nfs/dbraw/zinc/99/42/37/1124994237.db2.gz PNMNJTWTRIYODY-UHFFFAOYSA-N 0 1 271.364 3.636 20 0 CHADMN COc1c(C)cnc(CN[C@H]2CCc3c2cccc3C)c1C ZINC000877015012 1124998160 /nfs/dbraw/zinc/99/81/60/1124998160.db2.gz DLNHWYSLFOLUDG-KRWDZBQOSA-N 0 1 296.414 3.793 20 0 CHADMN COc1cnc(F)c(CN[C@H](C)c2cccc(C)c2C)c1 ZINC000877033445 1125000211 /nfs/dbraw/zinc/00/02/11/1125000211.db2.gz ZWZFRTOFBDVCEL-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN CCOc1ccccc1CCNCc1nc(Cl)cs1 ZINC000877023905 1125000447 /nfs/dbraw/zinc/00/04/47/1125000447.db2.gz JQJQIOWVVWLJCM-UHFFFAOYSA-N 0 1 296.823 3.528 20 0 CHADMN c1cc2ccc(CN(Cc3ccccn3)C3CC3)cc2[nH]1 ZINC000529568328 1125003754 /nfs/dbraw/zinc/00/37/54/1125003754.db2.gz XOAGMXWHRDEHTK-UHFFFAOYSA-N 0 1 277.371 3.728 20 0 CHADMN CCC[C@@H](O)CN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000450405761 1125014380 /nfs/dbraw/zinc/01/43/80/1125014380.db2.gz FBBJLDOBKKHMNC-HUUCEWRRSA-N 0 1 299.867 3.591 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2c2ccc(F)cc2)nc1 ZINC000121000141 1125016323 /nfs/dbraw/zinc/01/63/23/1125016323.db2.gz BBHSVXTTWSAGIF-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@H]1CCN(Cc2ccc3nonc3c2)[C@@H](c2ccco2)C1 ZINC000821380106 1131325684 /nfs/dbraw/zinc/32/56/84/1131325684.db2.gz NWBWFMLHNWASBO-BLLLJJGKSA-N 0 1 297.358 3.789 20 0 CHADMN CC(C)c1nnc(CN2[C@H](C)C[C@H]3CCCC[C@@H]32)s1 ZINC000450439285 1125026468 /nfs/dbraw/zinc/02/64/68/1125026468.db2.gz NMJLGJXHULARBB-UPJWGTAASA-N 0 1 279.453 3.815 20 0 CHADMN C[C@H]1CCN(Cc2ccc3nonc3c2)[C@H](c2ccco2)C1 ZINC000821380207 1131326413 /nfs/dbraw/zinc/32/64/13/1131326413.db2.gz NWBWFMLHNWASBO-LRDDRELGSA-N 0 1 297.358 3.789 20 0 CHADMN CC(C)Oc1ccc(CN2CC(Cc3ccco3)C2)cc1 ZINC000529649853 1125030725 /nfs/dbraw/zinc/03/07/25/1125030725.db2.gz CGNSURZPWSAETA-UHFFFAOYSA-N 0 1 285.387 3.741 20 0 CHADMN CN(C)c1ccc(F)cc1CN1CCC[C@@H]1c1cccnc1 ZINC000877524250 1125038157 /nfs/dbraw/zinc/03/81/57/1125038157.db2.gz USDXBPLVSLARTP-GOSISDBHSA-N 0 1 299.393 3.624 20 0 CHADMN CC(C)CN(Cc1nnc(C2CC2)s1)CC(C)(C)C ZINC000450495108 1125041028 /nfs/dbraw/zinc/04/10/28/1125041028.db2.gz RRWMKABVDQFRIU-UHFFFAOYSA-N 0 1 281.469 3.920 20 0 CHADMN Cc1ccc(CN(C)Cc2cc3c(cc[nH]c3=O)o2)cc1C ZINC000877576687 1125048465 /nfs/dbraw/zinc/04/84/65/1125048465.db2.gz PHIQFEPSPSDHNX-UHFFFAOYSA-N 0 1 296.370 3.782 20 0 CHADMN Clc1nccc2oc(CN3C[C@@H]4CCCC[C@@H]43)cc21 ZINC000877621359 1125056047 /nfs/dbraw/zinc/05/60/47/1125056047.db2.gz QYVAQQBTPVRTLZ-GWCFXTLKSA-N 0 1 276.767 3.856 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1nnc(C2CC2)s1 ZINC000450564265 1125056692 /nfs/dbraw/zinc/05/66/92/1125056692.db2.gz MLXUPCJAOVWUAK-WCQYABFASA-N 0 1 279.453 3.816 20 0 CHADMN CCO[P@](C)(=O)CC[C@@H](C)NCC(F)(F)C(C)(C)C ZINC000877639811 1125058050 /nfs/dbraw/zinc/05/80/50/1125058050.db2.gz GJTZXQCVTJRZDK-WYRIXSBYSA-N 0 1 299.342 3.980 20 0 CHADMN CC(C)c1ncc(CN2CCC(C)(F)CC2)s1 ZINC000877700510 1125064147 /nfs/dbraw/zinc/06/41/47/1125064147.db2.gz QMPCKVIZYGUOQA-UHFFFAOYSA-N 0 1 256.390 3.591 20 0 CHADMN CCCOc1ccc2c(c1)CCN(CCCC(=O)CC)C2 ZINC000450594280 1125067169 /nfs/dbraw/zinc/06/71/69/1125067169.db2.gz KAQVJWBFKRGAQY-UHFFFAOYSA-N 0 1 289.419 3.593 20 0 CHADMN Cc1cccc(Cl)c1CN(C)CCc1ccccn1 ZINC000450623566 1125068095 /nfs/dbraw/zinc/06/80/95/1125068095.db2.gz MIMKQWUVPWFOGD-UHFFFAOYSA-N 0 1 274.795 3.718 20 0 CHADMN CC(C)c1nnc(CN2CCCC23CCCCC3)s1 ZINC000450625913 1125068701 /nfs/dbraw/zinc/06/87/01/1125068701.db2.gz TXNJZJUNJWTSHF-UHFFFAOYSA-N 0 1 279.453 3.960 20 0 CHADMN Clc1nccc(CN2C[C@@H]3CC=CC[C@@H]3C2)c1Cl ZINC000877718513 1125068853 /nfs/dbraw/zinc/06/88/53/1125068853.db2.gz LFBZFYLNYSBCHF-PHIMTYICSA-N 0 1 283.202 3.786 20 0 CHADMN CCC(=O)CCCN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000450610517 1125071342 /nfs/dbraw/zinc/07/13/42/1125071342.db2.gz NORAPIJOSPMJMZ-CQSZACIVSA-N 0 1 295.810 3.552 20 0 CHADMN C(=C\c1ccccc1)\CCN1CCC[C@H]1c1ncc[nH]1 ZINC000450653760 1125079546 /nfs/dbraw/zinc/07/95/46/1125079546.db2.gz PWJGARUIOKQYPY-SGNXQUTQSA-N 0 1 267.376 3.650 20 0 CHADMN Cc1cc(C)cc(C2=CCN(Cc3cccnc3N)CC2)c1 ZINC000450657484 1125081466 /nfs/dbraw/zinc/08/14/66/1125081466.db2.gz ZRPBOZUZQXVFPI-UHFFFAOYSA-N 0 1 293.414 3.570 20 0 CHADMN COc1cccc(CN2CC[C@](C)(C(F)(F)F)C2)c1F ZINC000877812025 1125083342 /nfs/dbraw/zinc/08/33/42/1125083342.db2.gz FKVATVYGHHEDJY-ZDUSSCGKSA-N 0 1 291.288 3.609 20 0 CHADMN C[C@@]1(C(F)(F)F)CCN(Cc2scnc2C2CC2)C1 ZINC000877811990 1125083629 /nfs/dbraw/zinc/08/36/29/1125083629.db2.gz DRIZDRHXRFTZGG-GFCCVEGCSA-N 0 1 290.354 3.795 20 0 CHADMN C[C@H](O)CCCNC1(c2c(Cl)cccc2Cl)CC1 ZINC000450682205 1125084678 /nfs/dbraw/zinc/08/46/78/1125084678.db2.gz NFMXABAWJFZWBS-JTQLQIEISA-N 0 1 288.218 3.733 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2cccc(N3CCCC3)c2)n1 ZINC000450682310 1125086074 /nfs/dbraw/zinc/08/60/74/1125086074.db2.gz NSRSNUOJTDPGKP-INIZCTEOSA-N 0 1 295.430 3.841 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCCC(C)(F)F)n2)cc1 ZINC000450688027 1125086978 /nfs/dbraw/zinc/08/69/78/1125086978.db2.gz QACDZZNAKOOPGP-UHFFFAOYSA-N 0 1 283.347 3.918 20 0 CHADMN c1ccc2nc(CNc3ccc4c(n3)CCCC4)cnc2c1 ZINC000877828847 1125087089 /nfs/dbraw/zinc/08/70/89/1125087089.db2.gz QSYBKGJHPFDWRB-UHFFFAOYSA-N 0 1 290.370 3.516 20 0 CHADMN CO[C@H](C)[C@H](C)NCc1c(Cl)cccc1Cl ZINC000390451295 1125089073 /nfs/dbraw/zinc/08/90/73/1125089073.db2.gz ZPWLMXGVMBJBAE-DTWKUNHWSA-N 0 1 262.180 3.506 20 0 CHADMN CN(C)Cc1ccc(-c2cccc3ccccc32)nc1 ZINC001239469741 1131330969 /nfs/dbraw/zinc/33/09/69/1131330969.db2.gz PJGIUUMKGIPLQI-UHFFFAOYSA-N 0 1 262.356 3.963 20 0 CHADMN CCO[C@H]1CCN(c2ccnc3cc(F)ccc32)C[C@@H]1C ZINC000450742662 1125097862 /nfs/dbraw/zinc/09/78/62/1125097862.db2.gz CKJOTRRGWFEUPZ-SJCJKPOMSA-N 0 1 288.366 3.625 20 0 CHADMN C(=C/c1ccccc1)\CCSc1nc(C2CC2)n[nH]1 ZINC000450758440 1125103866 /nfs/dbraw/zinc/10/38/66/1125103866.db2.gz OBDSLJPMNBDQNW-XBXARRHUSA-N 0 1 271.389 3.878 20 0 CHADMN C(=C/c1ccccc1)\CCSc1n[nH]c(C2CC2)n1 ZINC000450758440 1125103875 /nfs/dbraw/zinc/10/38/75/1125103875.db2.gz OBDSLJPMNBDQNW-XBXARRHUSA-N 0 1 271.389 3.878 20 0 CHADMN C[C@@H]1CCC[C@@H](N(C)Cc2nc3c(o2)CCCC3)C1 ZINC000877966488 1125106872 /nfs/dbraw/zinc/10/68/72/1125106872.db2.gz MTNYWDVQXYJWPC-CHWSQXEVSA-N 0 1 262.397 3.564 20 0 CHADMN Cc1conc1CN1CCC[C@H]1c1ccccc1C ZINC000877977504 1125108215 /nfs/dbraw/zinc/10/82/15/1125108215.db2.gz YSGSGNIAEJRAQU-INIZCTEOSA-N 0 1 256.349 3.629 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1nccn1CC(F)F)C1CC1 ZINC000878057478 1125115236 /nfs/dbraw/zinc/11/52/36/1125115236.db2.gz MCWUGXRFTYVRAY-VXGBXAGGSA-N 0 1 285.382 3.547 20 0 CHADMN C[C@@H](CN(C)C(=O)c1cc(C2CC2)[nH]n1)C1CCCCC1 ZINC000530040859 1125115770 /nfs/dbraw/zinc/11/57/70/1125115770.db2.gz QQCBDMDWCHRXAJ-LBPRGKRZSA-N 0 1 289.423 3.576 20 0 CHADMN C[C@]1(c2ccccc2)CN(CCc2cccc(F)c2)CCO1 ZINC001168125471 1125119535 /nfs/dbraw/zinc/11/95/35/1125119535.db2.gz JPNWFBLENBMLKY-LJQANCHMSA-N 0 1 299.389 3.616 20 0 CHADMN C=C/C=C/CCN(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000878118682 1125121994 /nfs/dbraw/zinc/12/19/94/1125121994.db2.gz DJIOVEZMIJHLKF-QWNKOJSDSA-N 0 1 299.393 3.713 20 0 CHADMN Cc1conc1CN1CCC[C@H]1c1cccc(C)c1C ZINC000878131479 1125122266 /nfs/dbraw/zinc/12/22/66/1125122266.db2.gz QVRWVNLKYWSKTB-KRWDZBQOSA-N 0 1 270.376 3.937 20 0 CHADMN C[C@H]1c2ccccc2CN1C[C@H]1CC2(CCC2)CO1 ZINC000878157661 1125125872 /nfs/dbraw/zinc/12/58/72/1125125872.db2.gz JRMBXWPAUSKZJN-DZGCQCFKSA-N 0 1 257.377 3.522 20 0 CHADMN CCc1cnc(CN(C)CC[C@@H]2CCCC2(F)F)s1 ZINC000878161563 1125126280 /nfs/dbraw/zinc/12/62/80/1125126280.db2.gz WCKVFNPAPIFGFJ-NSHDSACASA-N 0 1 288.407 3.963 20 0 CHADMN CCCc1cccc(CN[C@@H]2CCCc3c[nH]nc32)c1 ZINC000373450638 1125129623 /nfs/dbraw/zinc/12/96/23/1125129623.db2.gz BGVLUVIJSDYRFV-MRXNPFEDSA-N 0 1 269.392 3.529 20 0 CHADMN CCCc1ccc(C[N@@H+]2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)cc1 ZINC000530175942 1125130141 /nfs/dbraw/zinc/13/01/41/1125130141.db2.gz RJIMXHWKICAEPU-XOIINTDNSA-N 0 1 289.419 3.713 20 0 CHADMN Cc1conc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000878209207 1125130884 /nfs/dbraw/zinc/13/08/84/1125130884.db2.gz DBZSGPPOJQAZJH-CYBMUJFWSA-N 0 1 297.358 3.504 20 0 CHADMN Cc1conc1CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000878209207 1125130889 /nfs/dbraw/zinc/13/08/89/1125130889.db2.gz DBZSGPPOJQAZJH-CYBMUJFWSA-N 0 1 297.358 3.504 20 0 CHADMN CSC[C@@H]1CCCN1Cc1cc(C(F)(F)F)co1 ZINC000878200139 1125131324 /nfs/dbraw/zinc/13/13/24/1125131324.db2.gz LCOBKUCDUQVVQW-JTQLQIEISA-N 0 1 279.327 3.626 20 0 CHADMN Cc1cccc(Cl)c1NC(=O)[C@H](C)N(C)CCC1CC1 ZINC000878287615 1125138749 /nfs/dbraw/zinc/13/87/49/1125138749.db2.gz HCWRAJZMTWGEND-LBPRGKRZSA-N 0 1 294.826 3.707 20 0 CHADMN CC[N@H+](Cc1ccncc1)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878331087 1125141244 /nfs/dbraw/zinc/14/12/44/1125141244.db2.gz RIRQMVBYJUQQTC-RTBURBONSA-N 0 1 296.414 3.824 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(C)c(Cl)n2)cc1 ZINC000878350726 1125143593 /nfs/dbraw/zinc/14/35/93/1125143593.db2.gz RWNRIRMPZZKWCE-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CN(Cc1ccc(F)c(F)c1)C[C@@H]1CCC2(CCCC2)O1 ZINC000530366866 1125145465 /nfs/dbraw/zinc/14/54/65/1125145465.db2.gz BUINLZVDIRAAHD-AWEZNQCLSA-N 0 1 295.373 3.888 20 0 CHADMN C[C@H](NCc1nc2c(o1)CCCC2)[C@@H](C)c1ccccc1 ZINC000878378946 1125147249 /nfs/dbraw/zinc/14/72/49/1125147249.db2.gz QWLMWCQXRHGEHU-KGLIPLIRSA-N 0 1 284.403 3.835 20 0 CHADMN CC[C@H](NC[C@H]1CCCC(C)(C)O1)c1nc(C)cs1 ZINC000878408085 1125150816 /nfs/dbraw/zinc/15/08/16/1125150816.db2.gz JMIZZZCZBJDWJY-OLZOCXBDSA-N 0 1 282.453 3.840 20 0 CHADMN Cc1ccc(C(C)(C)NCc2ccc(C)c(Cl)n2)cn1 ZINC000878431582 1125152961 /nfs/dbraw/zinc/15/29/61/1125152961.db2.gz PBAYPTVOXVWCSP-UHFFFAOYSA-N 0 1 289.810 3.772 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCc3sccc32)nc1 ZINC000121824411 1125157297 /nfs/dbraw/zinc/15/72/97/1125157297.db2.gz YHAADMQGUWDIAX-CQSZACIVSA-N 0 1 258.390 3.619 20 0 CHADMN Cc1cc(OCCCCOC(C)(C)C)cc(C)n1 ZINC000530489095 1125158746 /nfs/dbraw/zinc/15/87/46/1125158746.db2.gz MMRKPNYUSJCNQV-UHFFFAOYSA-N 0 1 251.370 3.673 20 0 CHADMN COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1cccc(C)n1 ZINC000530545421 1125163355 /nfs/dbraw/zinc/16/33/55/1125163355.db2.gz FYPBTWOJQNPBEB-GOSISDBHSA-N 0 1 296.414 3.911 20 0 CHADMN CC(C)(C)SCCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000878602477 1125164407 /nfs/dbraw/zinc/16/44/07/1125164407.db2.gz VFYPXCYZWUFZGL-CQSZACIVSA-N 0 1 281.469 3.859 20 0 CHADMN C[C@H](NCCCSC(C)(C)C)c1c(F)cncc1F ZINC000878613629 1125166556 /nfs/dbraw/zinc/16/65/56/1125166556.db2.gz SSIZANOXFJXFEE-JTQLQIEISA-N 0 1 288.407 3.932 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](c3cccnc3)C2)cn1 ZINC000878753658 1125176771 /nfs/dbraw/zinc/17/67/71/1125176771.db2.gz NDOLRFVIXUOSHT-OAHLLOKOSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1ccc(-c2nc(C(C)(C)C)nc3nc[nH]c32)cc1 ZINC001239478443 1131337696 /nfs/dbraw/zinc/33/76/96/1131337696.db2.gz SQZLABGGDIUMHO-UHFFFAOYSA-N 0 1 266.348 3.626 20 0 CHADMN Clc1ncsc1CN1CCCC2(CC2)CC1 ZINC000879062980 1125195541 /nfs/dbraw/zinc/19/55/41/1125195541.db2.gz HFNXYDDXXCCEDO-UHFFFAOYSA-N 0 1 256.802 3.563 20 0 CHADMN COc1ncc(CN[C@H](C)c2ccns2)c2ccccc21 ZINC000879061407 1125195724 /nfs/dbraw/zinc/19/57/24/1125195724.db2.gz BWQZCDVJVJRTFV-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN c1ccc([C@H]2CCC[C@H]2NCc2nc3c(o2)CCCC3)cc1 ZINC000879086612 1125196182 /nfs/dbraw/zinc/19/61/82/1125196182.db2.gz ANKUIUNMZQVCCK-HZPDHXFCSA-N 0 1 296.414 3.979 20 0 CHADMN Cc1cc(OCc2ccccc2OC(F)F)cc(C)n1 ZINC000531247130 1125203520 /nfs/dbraw/zinc/20/35/20/1125203520.db2.gz VYYPEKOBFMBXRQ-UHFFFAOYSA-N 0 1 279.286 3.879 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000122770051 1125203538 /nfs/dbraw/zinc/20/35/38/1125203538.db2.gz UDKSSJLHDBJSFR-IUODEOHRSA-N 0 1 285.391 3.604 20 0 CHADMN OCC[C@@H](NCc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000305384032 1125206291 /nfs/dbraw/zinc/20/62/91/1125206291.db2.gz YTMKVSFZPLFYTQ-MRXNPFEDSA-N 0 1 293.769 3.692 20 0 CHADMN CCC1(CC)CCN(Cc2cncc(Br)c2)C1 ZINC000122848006 1125207191 /nfs/dbraw/zinc/20/71/91/1125207191.db2.gz FKAQEDYBQFRDTG-UHFFFAOYSA-N 0 1 297.240 3.856 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)CC(C)(C)CC(F)F)ccc12 ZINC000879369138 1125210092 /nfs/dbraw/zinc/21/00/92/1125210092.db2.gz DJVMWMFRVNXABN-UHFFFAOYSA-N 0 1 295.333 3.881 20 0 CHADMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1ccc(C2CC2)cc1 ZINC000879373907 1125210589 /nfs/dbraw/zinc/21/05/89/1125210589.db2.gz DIODNXXEAQIWDM-PIGZYNQJSA-N 0 1 295.386 3.592 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1csc(-c2ccoc2)n1 ZINC000122947669 1125214136 /nfs/dbraw/zinc/21/41/36/1125214136.db2.gz RRAYUBZYTZTPFH-GHMZBOCLSA-N 0 1 262.378 3.776 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C3(C)CCC3)[nH]c2c1 ZINC000531415777 1125216730 /nfs/dbraw/zinc/21/67/30/1125216730.db2.gz KCJQHBIDRHSAQZ-HNNXBMFYSA-N 0 1 297.402 3.725 20 0 CHADMN C[C@H](c1cccc2ccccc21)N(C)Cc1cnccn1 ZINC000531416326 1125216964 /nfs/dbraw/zinc/21/69/64/1125216964.db2.gz FOZZIIDBLCEYQW-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCC(C(C)(C)O)CC1 ZINC000879625390 1125220677 /nfs/dbraw/zinc/22/06/77/1125220677.db2.gz DMDQUQCHJKLRGI-LLVKDONJSA-N 0 1 283.362 3.509 20 0 CHADMN COc1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)cc1F ZINC000531470238 1125221841 /nfs/dbraw/zinc/22/18/41/1125221841.db2.gz MQGATKHIGOCZMJ-GOEBONIOSA-N 0 1 295.423 3.694 20 0 CHADMN Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccc(C)nc2C)c1 ZINC000879749966 1125229720 /nfs/dbraw/zinc/22/97/20/1125229720.db2.gz OHOPLQUNZYBHNN-SFHVURJKSA-N 0 1 281.403 3.739 20 0 CHADMN Cc1cncc([C@@H]2CCCN2Cc2ccc(C)nc2C)c1 ZINC000879749966 1125229724 /nfs/dbraw/zinc/22/97/24/1125229724.db2.gz OHOPLQUNZYBHNN-SFHVURJKSA-N 0 1 281.403 3.739 20 0 CHADMN Cc1cncc([C@H]2CCC[N@H+]2C[C@H]2CC2(Cl)Cl)c1 ZINC000879748348 1125230173 /nfs/dbraw/zinc/23/01/73/1125230173.db2.gz HJZBQYHSZBZXRD-CHWSQXEVSA-N 0 1 285.218 3.721 20 0 CHADMN OCCC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1F ZINC000879779320 1125232949 /nfs/dbraw/zinc/23/29/49/1125232949.db2.gz POTCFNAVKFKNTI-PHTAMDTFSA-N 0 1 297.801 3.605 20 0 CHADMN Cc1cccc2c(CN3CCC[C@H](C(F)(F)F)C3)[nH]nc21 ZINC001137146726 1125234255 /nfs/dbraw/zinc/23/42/55/1125234255.db2.gz VPHCLBHXJZOUTH-NSHDSACASA-N 0 1 297.324 3.646 20 0 CHADMN Cc1cccc2c(C[N@H+]3CCC[C@H]3c3ccccn3)[nH]nc21 ZINC001137147676 1125238746 /nfs/dbraw/zinc/23/87/46/1125238746.db2.gz AAXIXMDMJOQKOC-KRWDZBQOSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1cccc2c(CN3CCC[C@H]3c3ccccn3)[nH]nc21 ZINC001137147676 1125238749 /nfs/dbraw/zinc/23/87/49/1125238749.db2.gz AAXIXMDMJOQKOC-KRWDZBQOSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1cccc2c(C[N@H+]3CC[C@H]4CCCC[C@H]4C3)[nH]nc21 ZINC001137147739 1125238998 /nfs/dbraw/zinc/23/89/98/1125238998.db2.gz CHPHTYJRSLKRGV-CABCVRRESA-N 0 1 283.419 3.883 20 0 CHADMN Cc1cccc2c(C[N@H+]3CCC[C@@H]4CCC[C@H]43)[nH]nc21 ZINC001137148068 1125239113 /nfs/dbraw/zinc/23/91/13/1125239113.db2.gz QMMMWTLWYBSYTO-XJKSGUPXSA-N 0 1 269.392 3.636 20 0 CHADMN Cc1cccc2c(CN3CCC[C@@H]4CCC[C@H]43)[nH]nc21 ZINC001137148068 1125239116 /nfs/dbraw/zinc/23/91/16/1125239116.db2.gz QMMMWTLWYBSYTO-XJKSGUPXSA-N 0 1 269.392 3.636 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@H](C(C)(C)O)C1 ZINC000879961200 1125242199 /nfs/dbraw/zinc/24/21/99/1125242199.db2.gz AWOUTUTULVPTIW-STQMWFEESA-N 0 1 294.439 3.516 20 0 CHADMN CC[C@H]1CCCN1Cc1nc(C(C)(C)C)cs1 ZINC000532291096 1125246746 /nfs/dbraw/zinc/24/67/46/1125246746.db2.gz JOWJDHIVSHJRTJ-NSHDSACASA-N 0 1 252.427 3.815 20 0 CHADMN CC(=O)CC[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000128156008 1125246794 /nfs/dbraw/zinc/24/67/94/1125246794.db2.gz RHESHQFNNBCBHC-UHFFFAOYSA-N 0 1 285.309 3.649 20 0 CHADMN CC(=O)CCN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000128156008 1125246797 /nfs/dbraw/zinc/24/67/97/1125246797.db2.gz RHESHQFNNBCBHC-UHFFFAOYSA-N 0 1 285.309 3.649 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1cccc(C(C)(C)C)c1 ZINC000880109086 1125250639 /nfs/dbraw/zinc/25/06/39/1125250639.db2.gz PKWLINNVGWPURT-CQSZACIVSA-N 0 1 283.419 3.933 20 0 CHADMN Fc1ccc(OCCNCc2c(F)cccc2Cl)cc1 ZINC000032179601 1125250857 /nfs/dbraw/zinc/25/08/57/1125250857.db2.gz AMZAZAWHWRLVHX-UHFFFAOYSA-N 0 1 297.732 3.787 20 0 CHADMN CCC[C@H](C(=O)c1ccccc1)N(C)[C@@H]1CCO[C@H](C)C1 ZINC001168142904 1125251096 /nfs/dbraw/zinc/25/10/96/1125251096.db2.gz MZTYRGZZRLGHPW-DJIMGWMZSA-N 0 1 289.419 3.537 20 0 CHADMN FC[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000880233986 1125257797 /nfs/dbraw/zinc/25/77/97/1125257797.db2.gz GJAWWOMMPPEBDU-CYBMUJFWSA-N 0 1 274.339 3.523 20 0 CHADMN FC[C@H]1CCCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000880233986 1125257800 /nfs/dbraw/zinc/25/78/00/1125257800.db2.gz GJAWWOMMPPEBDU-CYBMUJFWSA-N 0 1 274.339 3.523 20 0 CHADMN FC[C@@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000880233618 1125258254 /nfs/dbraw/zinc/25/82/54/1125258254.db2.gz YHBPEJSIQLOLKO-LBPRGKRZSA-N 0 1 276.330 3.555 20 0 CHADMN COc1cc(C[N@H+]2CCC[C@H](CF)C2)ccc1SC ZINC000880232307 1125258275 /nfs/dbraw/zinc/25/82/75/1125258275.db2.gz KVCNGEUDEBYOGD-CYBMUJFWSA-N 0 1 283.412 3.599 20 0 CHADMN C[C@@H]1CCCN(CC(=O)Nc2ccc3ccccc3c2)C1 ZINC000007787591 1125261281 /nfs/dbraw/zinc/26/12/81/1125261281.db2.gz BECVYXOOIAIRCT-CQSZACIVSA-N 0 1 282.387 3.510 20 0 CHADMN FC[C@@H]1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000880291964 1125263333 /nfs/dbraw/zinc/26/33/33/1125263333.db2.gz KKOVRJSZOREUGC-NSHDSACASA-N 0 1 294.757 3.786 20 0 CHADMN FC[C@@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000880292915 1125263451 /nfs/dbraw/zinc/26/34/51/1125263451.db2.gz AIKUDBRGFHFVIY-NSHDSACASA-N 0 1 278.758 3.680 20 0 CHADMN Fc1ccc(CN2CC[C@@H](c3nccs3)C2)cc1Cl ZINC000880320259 1125265695 /nfs/dbraw/zinc/26/56/95/1125265695.db2.gz QHUMXJALOFTFBQ-LLVKDONJSA-N 0 1 296.798 3.925 20 0 CHADMN CCOc1ccc([C@H](C)NCc2cncn2C(C)C)cc1 ZINC000090208288 1125271016 /nfs/dbraw/zinc/27/10/16/1125271016.db2.gz ZMQVYKFJVTZLME-AWEZNQCLSA-N 0 1 287.407 3.714 20 0 CHADMN Clc1ccc(CN2CCC3(CCCCO3)CC2)s1 ZINC000880454060 1125274764 /nfs/dbraw/zinc/27/47/64/1125274764.db2.gz AAWRXQASKYLPMH-UHFFFAOYSA-N 0 1 285.840 3.937 20 0 CHADMN Clc1ccsc1CN1CCC2(CCCCO2)CC1 ZINC000880457386 1125275843 /nfs/dbraw/zinc/27/58/43/1125275843.db2.gz IDVHTQUVFWUDLA-UHFFFAOYSA-N 0 1 285.840 3.937 20 0 CHADMN Oc1ccc(Cl)c(CN2CCC3(CCCCO3)CC2)c1 ZINC000880458674 1125276006 /nfs/dbraw/zinc/27/60/06/1125276006.db2.gz HRNNIHWCOXAMNN-UHFFFAOYSA-N 0 1 295.810 3.581 20 0 CHADMN C[C@@H](c1cccc2ccccc21)N1CCc2ncncc2C1 ZINC000880595364 1125281542 /nfs/dbraw/zinc/28/15/42/1125281542.db2.gz SMASNIPOIXSIMI-AWEZNQCLSA-N 0 1 289.382 3.749 20 0 CHADMN Fc1cc(Nc2cccc3[nH]ccc32)cc2[nH]ncc21 ZINC001159935556 1131344397 /nfs/dbraw/zinc/34/43/97/1131344397.db2.gz BOEMUWHSCSSFEJ-UHFFFAOYSA-N 0 1 266.279 3.927 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)NCc1ncc(Cl)cn1 ZINC001168156408 1125291944 /nfs/dbraw/zinc/29/19/44/1125291944.db2.gz VJIYSJUIIMERDQ-SNVBAGLBSA-N 0 1 296.201 3.504 20 0 CHADMN Cc1ncc(CN[C@@H]2CCCc3c4cc(C)ccc4[nH]c32)o1 ZINC000666165830 1125304465 /nfs/dbraw/zinc/30/44/65/1125304465.db2.gz RZDYKGGREIENNR-QGZVFWFLSA-N 0 1 295.386 3.940 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(C)ns2)cc1C ZINC000897417453 1125320419 /nfs/dbraw/zinc/32/04/19/1125320419.db2.gz PRGLRUFEIDLZIN-GFCCVEGCSA-N 0 1 276.405 3.619 20 0 CHADMN Cc1ncc(CN(C)C[C@@H]2CCC3(CCCCC3)O2)s1 ZINC000190938599 1125321145 /nfs/dbraw/zinc/32/11/45/1125321145.db2.gz WZTXYOVHNZOQFD-AWEZNQCLSA-N 0 1 294.464 3.765 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)cc1F)c1ccc[nH]1 ZINC000760243505 1125329606 /nfs/dbraw/zinc/32/96/06/1125329606.db2.gz OHDGRLSBCUVHIQ-VHSXEESVSA-N 0 1 250.292 3.705 20 0 CHADMN CC(C)[N@@H+](Cc1cn2ccsc2n1)Cc1ccccc1 ZINC000064344858 1125330260 /nfs/dbraw/zinc/33/02/60/1125330260.db2.gz IHCAPGXZLYPWIH-UHFFFAOYSA-N 0 1 285.416 3.806 20 0 CHADMN CC(C)N(Cc1cn2ccsc2n1)Cc1ccccc1 ZINC000064344858 1125330262 /nfs/dbraw/zinc/33/02/62/1125330262.db2.gz IHCAPGXZLYPWIH-UHFFFAOYSA-N 0 1 285.416 3.806 20 0 CHADMN CC(C)CCC[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000025345719 1125336125 /nfs/dbraw/zinc/33/61/25/1125336125.db2.gz OKLLONZEFXRGQS-GFCCVEGCSA-N 0 1 273.380 3.508 20 0 CHADMN COC(=O)c1nc2ccc(-c3ccc(SC)cc3)cc2[nH]1 ZINC001239498568 1131348731 /nfs/dbraw/zinc/34/87/31/1131348731.db2.gz XTDSXORCDXHUJN-UHFFFAOYSA-N 0 1 298.367 3.738 20 0 CHADMN Cc1cc(-c2noc([C@H]3CCC(C)(C)O3)n2)cc2nc[nH]c21 ZINC000350104521 1125359354 /nfs/dbraw/zinc/35/93/54/1125359354.db2.gz ZQNMOICTPPPURB-GFCCVEGCSA-N 0 1 298.346 3.551 20 0 CHADMN CCc1cnc(CN[C@H](C)CSC(C)(C)C)s1 ZINC000130526557 1125362786 /nfs/dbraw/zinc/36/27/86/1125362786.db2.gz CZJLICBSLJCOAP-SNVBAGLBSA-N 0 1 272.483 3.715 20 0 CHADMN Cc1[nH]ncc1CNc1cc(Cl)cc2cccnc21 ZINC000036918575 1125363180 /nfs/dbraw/zinc/36/31/80/1125363180.db2.gz WNRNQZZOXWPZCM-UHFFFAOYSA-N 0 1 272.739 3.532 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(C)cc2OC)cc1 ZINC000037199118 1125363958 /nfs/dbraw/zinc/36/39/58/1125363958.db2.gz ZDQUFZPLNNTPSY-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN Cc1ccc(CNc2ccc(Cl)c(CN(C)C)c2)cn1 ZINC000341515558 1125366131 /nfs/dbraw/zinc/36/61/31/1125366131.db2.gz VYAKWBDPLFHMFC-UHFFFAOYSA-N 0 1 289.810 3.717 20 0 CHADMN F[C@@H]1CCCC[C@H]1NCc1cnc(-c2ccccc2)nc1 ZINC000666436902 1125368027 /nfs/dbraw/zinc/36/80/27/1125368027.db2.gz YRWQNRGQGNBBBA-HZPDHXFCSA-N 0 1 285.366 3.514 20 0 CHADMN Cc1cnc(=S)n(CN2CCC[C@@H]2c2cccs2)c1 ZINC000130774446 1125368982 /nfs/dbraw/zinc/36/89/82/1125368982.db2.gz BQDIHJATGYHUAY-GFCCVEGCSA-N 0 1 291.445 3.777 20 0 CHADMN CC(C)c1c[nH]c(CN[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)n1 ZINC000883032322 1125369068 /nfs/dbraw/zinc/36/90/68/1125369068.db2.gz DIIHWMNHQSVFPU-VEVIJQCQSA-N 0 1 299.418 3.576 20 0 CHADMN C[C@H](NCc1csc(-c2ccccc2)n1)[C@H]1CC1(F)F ZINC000666445053 1125371042 /nfs/dbraw/zinc/37/10/42/1125371042.db2.gz OLUMSMOYXYRCTB-GXFFZTMASA-N 0 1 294.370 3.943 20 0 CHADMN CC(C)c1c[nH]c(CNC[C@@H]2CCC3(CCCCC3)O2)n1 ZINC000883102385 1125371836 /nfs/dbraw/zinc/37/18/36/1125371836.db2.gz OPBUDVBFBHGGEK-AWEZNQCLSA-N 0 1 291.439 3.505 20 0 CHADMN CC(C)OCC(C)(C)NCc1cscc1Cl ZINC000666463067 1125372823 /nfs/dbraw/zinc/37/28/23/1125372823.db2.gz CUASTXZDWJDATK-UHFFFAOYSA-N 0 1 261.818 3.695 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@@H]1NCc1cccc(Cl)c1N ZINC000883121479 1125372883 /nfs/dbraw/zinc/37/28/83/1125372883.db2.gz JCBRRWIPDLROCH-MGPLVRAMSA-N 0 1 288.778 3.534 20 0 CHADMN Fc1ccc([C@@H](NCc2ccco2)C2CCOCC2)cc1 ZINC000883164580 1125374460 /nfs/dbraw/zinc/37/44/60/1125374460.db2.gz JRAOBBWDYISQCL-QGZVFWFLSA-N 0 1 289.350 3.676 20 0 CHADMN C/C=C\C[C@@H]1CCCN(CC(=O)Nc2ccccc2C)C1 ZINC000626160679 1125375564 /nfs/dbraw/zinc/37/55/64/1125375564.db2.gz NGAVXYFNDZARGX-MJSXRHKHSA-N 0 1 286.419 3.612 20 0 CHADMN C/C=C/C[C@@H]1CCCN([C@H](C)c2nc(C(C)C)no2)C1 ZINC000626161832 1125377399 /nfs/dbraw/zinc/37/73/99/1125377399.db2.gz JYXVURPUMLZCGX-QAMKJQMISA-N 0 1 277.412 3.932 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](CC)c2sccc2Cl)n[nH]1 ZINC000883208186 1125378180 /nfs/dbraw/zinc/37/81/80/1125378180.db2.gz AQEKWKBRANOXDN-PSASIEDQSA-N 0 1 298.843 3.884 20 0 CHADMN CC[C@H](NCc1n[nH]c(C(C)C)n1)c1sccc1Cl ZINC000883225288 1125379899 /nfs/dbraw/zinc/37/98/99/1125379899.db2.gz CZGNMLZYPDEYPX-JTQLQIEISA-N 0 1 298.843 3.884 20 0 CHADMN CC(C)(C)c1csc(CNc2ccc3c[nH]nc3c2)n1 ZINC000883232295 1125381234 /nfs/dbraw/zinc/38/12/34/1125381234.db2.gz FVMNYEUXZJVWMI-UHFFFAOYSA-N 0 1 286.404 3.929 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000666573583 1125382199 /nfs/dbraw/zinc/38/21/99/1125382199.db2.gz WJAQPLYRRBDYAT-XOKHGSTOSA-N 0 1 287.403 3.785 20 0 CHADMN CCSc1ccc(CNCc2cnc(C)s2)cc1 ZINC000883236754 1125382274 /nfs/dbraw/zinc/38/22/74/1125382274.db2.gz JXGSLIJVVWZCMU-UHFFFAOYSA-N 0 1 278.446 3.853 20 0 CHADMN Fc1ccccc1-c1ncc(CN2CC=CCC2)s1 ZINC000648505028 1125382458 /nfs/dbraw/zinc/38/24/58/1125382458.db2.gz VLXUVQDYQVOHQG-UHFFFAOYSA-N 0 1 274.364 3.711 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccnn1C)c1sccc1Cl ZINC000883243753 1125382675 /nfs/dbraw/zinc/38/26/75/1125382675.db2.gz WSCLSDFUGMXZOA-GXSJLCMTSA-N 0 1 283.828 3.937 20 0 CHADMN CCSc1ccc(CN[C@@H](C)c2cncnc2C)cc1 ZINC000883245553 1125383537 /nfs/dbraw/zinc/38/35/37/1125383537.db2.gz NTLUGHALHBBWHP-LBPRGKRZSA-N 0 1 287.432 3.748 20 0 CHADMN COc1ccccc1CNCc1cc(C2CC2)ccc1OC ZINC000883258430 1125386290 /nfs/dbraw/zinc/38/62/90/1125386290.db2.gz AYWSDGGOCQBGOO-UHFFFAOYSA-N 0 1 297.398 3.871 20 0 CHADMN COc1ccc(C2CC2)cc1CNCc1cccc(O)c1 ZINC000883259012 1125386491 /nfs/dbraw/zinc/38/64/91/1125386491.db2.gz XXMZIWJGVXTCET-UHFFFAOYSA-N 0 1 283.371 3.568 20 0 CHADMN C=C/C=C/CCN[C@H](C)c1ncc(Br)s1 ZINC000883267665 1125389384 /nfs/dbraw/zinc/38/93/84/1125389384.db2.gz MUCPQSCVBYUUPM-XNPJLODASA-N 0 1 287.226 3.689 20 0 CHADMN Cn1c(Cl)cnc1CN[C@@H](c1ccccc1)C1CCC1 ZINC000170919530 1125390787 /nfs/dbraw/zinc/39/07/87/1125390787.db2.gz LLJHNKXPTVMLEV-INIZCTEOSA-N 0 1 289.810 3.705 20 0 CHADMN CCc1ccc(CNCc2ccc(C)nc2Cl)cc1 ZINC000883291544 1125391362 /nfs/dbraw/zinc/39/13/62/1125391362.db2.gz JDOMQVPSRPTQSL-UHFFFAOYSA-N 0 1 274.795 3.896 20 0 CHADMN Cc1csc([C@@H](C)NC[C@H]2CCC3(CCCC3)O2)n1 ZINC000229292873 1125393408 /nfs/dbraw/zinc/39/34/08/1125393408.db2.gz JSZBKXIMSCMHGA-CHWSQXEVSA-N 0 1 280.437 3.594 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)[C@@H](C(=O)[O-])C1 ZINC000229298707 1125393552 /nfs/dbraw/zinc/39/35/52/1125393552.db2.gz VPDHYEYEKZAQHN-CZUORRHYSA-N 0 1 289.419 3.669 20 0 CHADMN C[C@@H](CCc1ccccc1F)NC1(c2ncccn2)CCC1 ZINC000883313757 1125393806 /nfs/dbraw/zinc/39/38/06/1125393806.db2.gz LTEWGLTXUURLOU-AWEZNQCLSA-N 0 1 299.393 3.606 20 0 CHADMN CC[C@H](Cc1cccs1)NC1(c2ncccn2)CCC1 ZINC000883313847 1125393890 /nfs/dbraw/zinc/39/38/90/1125393890.db2.gz NZCVITIFXNDVEZ-CYBMUJFWSA-N 0 1 287.432 3.528 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H](C)[C@@H](C)C2)c1F ZINC001168201666 1125394068 /nfs/dbraw/zinc/39/40/68/1125394068.db2.gz LHBQRMACJCDDJE-PWSUYJOCSA-N 0 1 253.336 3.751 20 0 CHADMN Cc1cc(CNC2CC(c3ccccc3Cl)C2)no1 ZINC000044692769 1125394392 /nfs/dbraw/zinc/39/43/92/1125394392.db2.gz ADCBPHDLEXHGAO-UHFFFAOYSA-N 0 1 276.767 3.672 20 0 CHADMN Cc1cnc([C@@H](C)NC[C@H]2CCC3(CCCC3)O2)s1 ZINC000229305850 1125395171 /nfs/dbraw/zinc/39/51/71/1125395171.db2.gz JXYHBUQMFSKNAK-CHWSQXEVSA-N 0 1 280.437 3.594 20 0 CHADMN Clc1cccc(CNCc2cnc3ccccc3n2)c1 ZINC000053147817 1125399574 /nfs/dbraw/zinc/39/95/74/1125399574.db2.gz ZYKXWTCNOYTRSF-UHFFFAOYSA-N 0 1 283.762 3.573 20 0 CHADMN CC(C)(O)[C@@H]1CCN(Cc2cccc(Cl)c2Cl)C1 ZINC000721873643 1125405860 /nfs/dbraw/zinc/40/58/60/1125405860.db2.gz XHSGIIUWVCRERB-LLVKDONJSA-N 0 1 288.218 3.586 20 0 CHADMN c1cc(CN2Cc3ccccc3[C@@H](c3ccccc3)C2)on1 ZINC000532490481 1125406324 /nfs/dbraw/zinc/40/63/24/1125406324.db2.gz ALKDGEHJUIPBDI-LJQANCHMSA-N 0 1 290.366 3.822 20 0 CHADMN CCn1nc(C)c(CN[C@H]2CCCOc3ccccc32)c1C ZINC000532481236 1125407131 /nfs/dbraw/zinc/40/71/31/1125407131.db2.gz VUGQLYKANLFJRB-KRWDZBQOSA-N 0 1 299.418 3.523 20 0 CHADMN Cc1ccccc1[C@@H](CO)N[C@H](C)c1ccccc1F ZINC000532551573 1125410539 /nfs/dbraw/zinc/41/05/39/1125410539.db2.gz XYHVTEVHZCUQJK-CXAGYDPISA-N 0 1 273.351 3.518 20 0 CHADMN CC1(C)Nc2ccccc2[C@H]1NCc1ccnc(Cl)c1 ZINC000883463261 1125411944 /nfs/dbraw/zinc/41/19/44/1125411944.db2.gz LRVIURZESUOSRG-OAHLLOKOSA-N 0 1 287.794 3.770 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1cnc3cccc(C)n13)CC2 ZINC001137190789 1125414644 /nfs/dbraw/zinc/41/46/44/1125414644.db2.gz CBVQQXUTCHFNMF-UHFFFAOYSA-N 0 1 291.398 3.509 20 0 CHADMN CC[C@@H]1CCCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000532571471 1125415299 /nfs/dbraw/zinc/41/52/99/1125415299.db2.gz MTRUNIQGPLWUMP-CHWSQXEVSA-N 0 1 279.428 3.940 20 0 CHADMN CCCNC(=O)Nc1cc(Cl)c(C)c(Cl)c1O ZINC001202593608 1125441725 /nfs/dbraw/zinc/44/17/25/1125441725.db2.gz GTIVDYATOUNMPT-UHFFFAOYSA-N 0 1 277.151 3.539 20 0 CHADMN Cc1cnc(=S)n(CN2CCC[C@]3(CC=CCC3)C2)c1 ZINC000132760827 1125421872 /nfs/dbraw/zinc/42/18/72/1125421872.db2.gz XTGOHDVTUZNOKO-MRXNPFEDSA-N 0 1 289.448 3.701 20 0 CHADMN Cc1ccc2nc(SCc3ccncc3)[nH]c2c1 ZINC000033505260 1125422338 /nfs/dbraw/zinc/42/23/38/1125422338.db2.gz BKZVXKNYGHNELV-UHFFFAOYSA-N 0 1 255.346 3.559 20 0 CHADMN CCOc1cccc(CN2CCC[C@@H]2C)c1OC(F)F ZINC000124302832 1125436154 /nfs/dbraw/zinc/43/61/54/1125436154.db2.gz GBXFZPRLLLLWNU-NSHDSACASA-N 0 1 285.334 3.671 20 0 CHADMN CCOc1c(Cl)cc(CN2CCC[C@@H]2C)cc1OC ZINC000124300004 1125436519 /nfs/dbraw/zinc/43/65/19/1125436519.db2.gz HPLGSURJSWESCG-NSHDSACASA-N 0 1 283.799 3.732 20 0 CHADMN CCCC[N@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC001168252635 1125440163 /nfs/dbraw/zinc/44/01/63/1125440163.db2.gz PYHURQIBRPGTER-LLVKDONJSA-N 0 1 282.225 3.996 20 0 CHADMN CCCCN1Cc2cc(Br)ccc2C[C@H]1C ZINC001168252635 1125440165 /nfs/dbraw/zinc/44/01/65/1125440165.db2.gz PYHURQIBRPGTER-LLVKDONJSA-N 0 1 282.225 3.996 20 0 CHADMN C[C@@H]1CCCCN1Cc1nc2cc(Cl)ccc2n1C ZINC000043272796 1125445888 /nfs/dbraw/zinc/44/58/88/1125445888.db2.gz VGBCUZQRUIIBKA-LLVKDONJSA-N 0 1 277.799 3.601 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2cc(C)c(C)o2)n[nH]1 ZINC000282860960 1125446869 /nfs/dbraw/zinc/44/68/69/1125446869.db2.gz UQEQHEUIPAVFCY-DLOVCJGASA-N 0 1 290.411 3.940 20 0 CHADMN CC(C)(C)n1cc(CN(Cc2ccccc2)C2CC2)cn1 ZINC000125439198 1125448948 /nfs/dbraw/zinc/44/89/48/1125448948.db2.gz RXTOWDQKBBRJPN-UHFFFAOYSA-N 0 1 283.419 3.803 20 0 CHADMN OCCCCC[N@@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000104960421 1125453997 /nfs/dbraw/zinc/45/39/97/1125453997.db2.gz PXTLAHVDYSVAJJ-UHFFFAOYSA-N 0 1 297.389 3.872 20 0 CHADMN CC[C@@H](NCc1conc1C)c1cccc(Cl)c1 ZINC000293685024 1129180318 /nfs/dbraw/zinc/18/03/18/1129180318.db2.gz AUHNGJOWIIHSLK-CQSZACIVSA-N 0 1 264.756 3.877 20 0 CHADMN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](C)N(C)C ZINC000635402665 1129180663 /nfs/dbraw/zinc/18/06/63/1129180663.db2.gz TTWWCWKLTCVKQY-CYBMUJFWSA-N 0 1 276.424 3.822 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1nc3c(s1)CCC3)[C@H](C)C2 ZINC000779990116 1129182236 /nfs/dbraw/zinc/18/22/36/1129182236.db2.gz AUXBEBHBGIZQHT-KZULUSFZSA-N 0 1 298.455 3.963 20 0 CHADMN Cc1nnsc1CN[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000293694633 1129196336 /nfs/dbraw/zinc/19/63/36/1129196336.db2.gz OAWORTPHUFJIIO-QMTHXVAHSA-N 0 1 273.405 3.575 20 0 CHADMN Cc1nc([C@@H](C)NCCCOc2ccccc2F)cs1 ZINC000772855731 1131357208 /nfs/dbraw/zinc/35/72/08/1131357208.db2.gz AAOTZAFUGOHTIN-LLVKDONJSA-N 0 1 294.395 3.710 20 0 CHADMN COCC1(C(=O)Nc2cccc(Cl)c2O)CCCCC1 ZINC000621866396 1129200612 /nfs/dbraw/zinc/20/06/12/1129200612.db2.gz UVFTZHJDHLQNCF-UHFFFAOYSA-N 0 1 297.782 3.581 20 0 CHADMN CSC(C)(C)C[C@H](C)NCc1ncc(Cl)s1 ZINC001258330850 1129207792 /nfs/dbraw/zinc/20/77/92/1129207792.db2.gz GQVKXXACETYZIS-QMMMGPOBSA-N 0 1 278.874 3.806 20 0 CHADMN CCSc1cccc(F)c1NC(=O)c1conc1CC ZINC000637284733 1129213533 /nfs/dbraw/zinc/21/35/33/1129213533.db2.gz KFHZTMLRTOPJQS-UHFFFAOYSA-N 0 1 294.351 3.740 20 0 CHADMN CCOc1ccccc1CNCc1csc(C)c1 ZINC000294201019 1129214050 /nfs/dbraw/zinc/21/40/50/1129214050.db2.gz LUPHOTJLIFOSIX-UHFFFAOYSA-N 0 1 261.390 3.745 20 0 CHADMN Cc1sc(NC(=O)c2c[nH]nc2C(C)C)nc1C(C)C ZINC000622135333 1129230161 /nfs/dbraw/zinc/23/01/61/1129230161.db2.gz BCTNIPRPEBGZJB-UHFFFAOYSA-N 0 1 292.408 3.674 20 0 CHADMN c1coc(C[N@H+](CCC[C@@H]2CCO2)Cc2ccccc2)c1 ZINC000637862522 1129232138 /nfs/dbraw/zinc/23/21/38/1129232138.db2.gz YEOSWUDLPAHUEF-QGZVFWFLSA-N 0 1 285.387 3.851 20 0 CHADMN COC1CCC(=Nc2cc(Cl)cc(Cl)n2)CC1 ZINC001212873661 1129233402 /nfs/dbraw/zinc/23/34/02/1129233402.db2.gz RIBQCHPWCOLHPQ-JTQLQIEISA-N 0 1 273.163 3.883 20 0 CHADMN c1cc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)sn1 ZINC000637957157 1129237829 /nfs/dbraw/zinc/23/78/29/1129237829.db2.gz DAGNAHZMTOMVBL-MRXNPFEDSA-N 0 1 270.401 3.795 20 0 CHADMN c1cc(CN(C2CC2)[C@@H]2CCc3ccccc32)sn1 ZINC000637957157 1129237832 /nfs/dbraw/zinc/23/78/32/1129237832.db2.gz DAGNAHZMTOMVBL-MRXNPFEDSA-N 0 1 270.401 3.795 20 0 CHADMN O=C(C[C@H]1C=CCC1)Nc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000622212890 1129238607 /nfs/dbraw/zinc/23/86/07/1129238607.db2.gz JJZOXNDKWBNYJN-QMMMGPOBSA-N 0 1 293.729 3.650 20 0 CHADMN Cc1nc(C)c([C@@H](C)N(C)Cc2cccc(F)c2N)s1 ZINC000638059326 1129241717 /nfs/dbraw/zinc/24/17/17/1129241717.db2.gz ZHJBKUKQPVRDRP-SNVBAGLBSA-N 0 1 293.411 3.674 20 0 CHADMN Cc1ccc([C@@H]2CCCN2[C@H](C)c2cnc(C)nc2C)o1 ZINC000638086645 1129242220 /nfs/dbraw/zinc/24/22/20/1129242220.db2.gz HVYLKGSDHMFWTF-CJNGLKHVSA-N 0 1 285.391 3.893 20 0 CHADMN Cc1cccc(C)c1CNCc1cnc(Cl)s1 ZINC000718187907 1129257813 /nfs/dbraw/zinc/25/78/13/1129257813.db2.gz SFLUQDLOYDOJKE-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN CCCCC[C@H]1CCCCN1C(=O)c1oc(CN)cc1C ZINC000638428724 1129258845 /nfs/dbraw/zinc/25/88/45/1129258845.db2.gz AFIYOXKVXMCHMK-AWEZNQCLSA-N 0 1 292.423 3.622 20 0 CHADMN CC[C@H](C)[C@@H](CNCc1coc(-c2cccs2)n1)OC ZINC000638431687 1129259004 /nfs/dbraw/zinc/25/90/04/1129259004.db2.gz LMQOPRBFDDOZKW-WCQYABFASA-N 0 1 294.420 3.554 20 0 CHADMN CCc1ccc(NC(=O)c2cc(C)cc3cn[nH]c32)cc1F ZINC000622460486 1129259717 /nfs/dbraw/zinc/25/97/17/1129259717.db2.gz USKWHCHMDNMSEQ-UHFFFAOYSA-N 0 1 297.333 3.825 20 0 CHADMN Cc1cc(CNC2(c3ccc(F)cc3)CCC2)sn1 ZINC000638476583 1129260137 /nfs/dbraw/zinc/26/01/37/1129260137.db2.gz DUHOYPFKQIIRFB-UHFFFAOYSA-N 0 1 276.380 3.760 20 0 CHADMN CC(C)(NCc1ccns1)c1cccc(Cl)c1 ZINC000638681460 1129265521 /nfs/dbraw/zinc/26/55/21/1129265521.db2.gz IXNLCHZXYHMUHN-UHFFFAOYSA-N 0 1 266.797 3.821 20 0 CHADMN Cc1nc2ccccn2c1CN[C@@H](C)c1ccccc1F ZINC000037764300 1129266865 /nfs/dbraw/zinc/26/68/65/1129266865.db2.gz FQYAVMROOYATOO-LBPRGKRZSA-N 0 1 283.350 3.633 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ccn(-c2cccc(F)c2)n1 ZINC000622584381 1129267124 /nfs/dbraw/zinc/26/71/24/1129267124.db2.gz YERTVCCPOMYWFB-MRXNPFEDSA-N 0 1 287.382 3.776 20 0 CHADMN CCc1ccc(C(C)(C)N[C@H](c2nccn2C)C2CC2)cc1 ZINC000638732261 1129267995 /nfs/dbraw/zinc/26/79/95/1129267995.db2.gz NCDSPDREQQRXKT-KRWDZBQOSA-N 0 1 297.446 3.959 20 0 CHADMN Cc1cnc(CNCC(C)(C)Cc2cccc(Cl)c2)o1 ZINC000638740782 1129268101 /nfs/dbraw/zinc/26/81/01/1129268101.db2.gz ACOKKRBVDXJXLN-UHFFFAOYSA-N 0 1 292.810 3.995 20 0 CHADMN Fc1ccc(CN[C@H]2CCCc3c[nH]nc32)c2ccccc12 ZINC000638768622 1129269394 /nfs/dbraw/zinc/26/93/94/1129269394.db2.gz DKLQJBXXWURMEY-KRWDZBQOSA-N 0 1 295.361 3.869 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1NCc1cc(C2CC2)no1 ZINC000638823475 1129271922 /nfs/dbraw/zinc/27/19/22/1129271922.db2.gz SBSOGSCTYQRFFZ-XIKOKIGWSA-N 0 1 282.387 3.965 20 0 CHADMN CO[C@@H]1CC=C(Nc2scnc2C2CC2)CC1 ZINC001212878356 1129277256 /nfs/dbraw/zinc/27/72/56/1129277256.db2.gz LJXVDQMNBXUZAK-LLVKDONJSA-N 0 1 250.367 3.515 20 0 CHADMN CC(C)CO[C@@H]1CCN(Cc2cccc(C(F)F)c2)C1 ZINC000348064383 1129278388 /nfs/dbraw/zinc/27/83/88/1129278388.db2.gz XSKZNWJXJCLNDC-OAHLLOKOSA-N 0 1 283.362 3.871 20 0 CHADMN COCC1=CCN(Cc2ccccc2CC(F)(F)F)CC1 ZINC000639065125 1129279345 /nfs/dbraw/zinc/27/93/45/1129279345.db2.gz FDIQRSGAJSMUPX-UHFFFAOYSA-N 0 1 299.336 3.570 20 0 CHADMN CCCCC[C@@H](C)CC(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795437843 1129279920 /nfs/dbraw/zinc/27/99/20/1129279920.db2.gz SVOFQCJILTZBGN-GFCCVEGCSA-N 0 1 281.400 3.578 20 0 CHADMN CCCCC[C@@H](C)CC(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795437843 1129279923 /nfs/dbraw/zinc/27/99/23/1129279923.db2.gz SVOFQCJILTZBGN-GFCCVEGCSA-N 0 1 281.400 3.578 20 0 CHADMN CCN(Cc1ccns1)Cc1c[nH]c2ccccc12 ZINC000639091577 1129281036 /nfs/dbraw/zinc/28/10/36/1129281036.db2.gz VDMYLPGKAOSLDZ-UHFFFAOYSA-N 0 1 271.389 3.647 20 0 CHADMN Cc1noc([C@H](C)N[C@@H](C)CCc2c[nH]c3ccccc23)n1 ZINC000639097969 1129281100 /nfs/dbraw/zinc/28/11/00/1129281100.db2.gz NGZDXDSCEVRHFG-RYUDHWBXSA-N 0 1 298.390 3.531 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1noc2c1CCCC2 ZINC000177542165 1129283967 /nfs/dbraw/zinc/28/39/67/1129283967.db2.gz YGEXMBMTTUVKJK-ZBFHGGJFSA-N 0 1 296.414 3.931 20 0 CHADMN CCN([C@H](C)c1cccnc1)[C@@H](C)c1cnc(C)nc1C ZINC000639177478 1129289747 /nfs/dbraw/zinc/28/97/47/1129289747.db2.gz DQILSCCYPVSOHM-KGLIPLIRSA-N 0 1 284.407 3.633 20 0 CHADMN c1ccc2oc(CN3CC4(CCC4)[C@@H]3C3CC3)nc2c1 ZINC000639190971 1129290119 /nfs/dbraw/zinc/29/01/19/1129290119.db2.gz FJFGUPPXHWWQKQ-INIZCTEOSA-N 0 1 268.360 3.592 20 0 CHADMN Cc1cccc(CN(C)[C@H](C)c2cnc(C)nc2C)c1C ZINC000639198781 1129291186 /nfs/dbraw/zinc/29/11/86/1129291186.db2.gz FNBCGYTVWDCXHR-OAHLLOKOSA-N 0 1 283.419 3.903 20 0 CHADMN Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c(F)c1 ZINC000639210760 1129293638 /nfs/dbraw/zinc/29/36/38/1129293638.db2.gz JLDLJUQADOIECW-KRWDZBQOSA-N 0 1 289.394 3.525 20 0 CHADMN CCC1(NCc2nc3cc(Br)ccc3o2)CC1 ZINC000639224321 1129294903 /nfs/dbraw/zinc/29/49/03/1129294903.db2.gz YHGZTAWDCSBENR-UHFFFAOYSA-N 0 1 295.180 3.623 20 0 CHADMN Nc1c(F)cccc1CN1CCC[C@H](CC(F)(F)F)C1 ZINC000639272223 1129298602 /nfs/dbraw/zinc/29/86/02/1129298602.db2.gz HAGJTPFKPDGSCY-SNVBAGLBSA-N 0 1 290.304 3.572 20 0 CHADMN Cc1cc(CN2CCC[C@@H](CC(F)(F)F)C2)sn1 ZINC000639272298 1129298611 /nfs/dbraw/zinc/29/86/11/1129298611.db2.gz HIDKMBIIBUMYQJ-JTQLQIEISA-N 0 1 278.343 3.616 20 0 CHADMN COc1ncc(CNC2(c3ccccc3C)CCC2)s1 ZINC000639287877 1129299571 /nfs/dbraw/zinc/29/95/71/1129299571.db2.gz CPAJTJWKLTVCHF-UHFFFAOYSA-N 0 1 288.416 3.629 20 0 CHADMN Cc1ccccc1C1(NCc2ccns2)CCC1 ZINC000639288159 1129299929 /nfs/dbraw/zinc/29/99/29/1129299929.db2.gz DHCZDHWEKVQKKF-UHFFFAOYSA-N 0 1 258.390 3.621 20 0 CHADMN O[C@@H]1CCN(Cc2cccc(F)c2)[C@H](c2ccccc2)C1 ZINC000639367624 1129307685 /nfs/dbraw/zinc/30/76/85/1129307685.db2.gz SWBOPVLOXJVLGO-MSOLQXFVSA-N 0 1 285.362 3.524 20 0 CHADMN FC(F)(F)[C@@H]1CCCN(Cc2cc3cnccc3o2)C1 ZINC000639387815 1129309863 /nfs/dbraw/zinc/30/98/63/1129309863.db2.gz OABCJWJUTXFDTM-LLVKDONJSA-N 0 1 284.281 3.602 20 0 CHADMN FC[C@H](NC1CC2(CCC2)C1)c1ccc(F)cc1 ZINC000639394474 1129310897 /nfs/dbraw/zinc/31/08/97/1129310897.db2.gz ADIXAFCQEXLSJF-AWEZNQCLSA-N 0 1 251.320 3.759 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)Cc1cc[nH]c(=O)c1 ZINC000639455557 1129316083 /nfs/dbraw/zinc/31/60/83/1129316083.db2.gz RNBDCRWRLHCCPG-LLVKDONJSA-N 0 1 276.767 3.634 20 0 CHADMN CC(=O)CN(Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000639462903 1129317733 /nfs/dbraw/zinc/31/77/33/1129317733.db2.gz FVHIJARQDSRYLR-UHFFFAOYSA-N 0 1 273.298 3.505 20 0 CHADMN CCCc1ccccc1NC(=O)c1cc(C(F)F)n[nH]1 ZINC000639525690 1129321730 /nfs/dbraw/zinc/32/17/30/1129321730.db2.gz RTUUOSUUEJHSDQ-UHFFFAOYSA-N 0 1 279.290 3.552 20 0 CHADMN Cc1cc(C)c(CN(C)[C@H](C)c2ccccn2)c(C)n1 ZINC000639551645 1129322862 /nfs/dbraw/zinc/32/28/62/1129322862.db2.gz QDSJWGNQJOBVAW-OAHLLOKOSA-N 0 1 269.392 3.595 20 0 CHADMN O=C(c1cc(C(F)F)[nH]n1)N1CCC[C@@H]1C1CCCCC1 ZINC000639554942 1129323062 /nfs/dbraw/zinc/32/30/62/1129323062.db2.gz MBVGBKHAJJMEJK-CYBMUJFWSA-N 0 1 297.349 3.532 20 0 CHADMN Cc1cc(C)c(CN(Cc2ccncc2)C2CC2)c(C)n1 ZINC000639549362 1129323442 /nfs/dbraw/zinc/32/34/42/1129323442.db2.gz PBDZJGBHIZNWFV-UHFFFAOYSA-N 0 1 281.403 3.566 20 0 CHADMN CC(C)c1n[nH]c(COC(=O)C[C@H]2CCCCC2(C)C)n1 ZINC000795480047 1129328170 /nfs/dbraw/zinc/32/81/70/1129328170.db2.gz MJMKGHQCSCQCOI-GFCCVEGCSA-N 0 1 293.411 3.578 20 0 CHADMN CC(C)c1nc(COC(=O)C[C@H]2CCCCC2(C)C)n[nH]1 ZINC000795480047 1129328174 /nfs/dbraw/zinc/32/81/74/1129328174.db2.gz MJMKGHQCSCQCOI-GFCCVEGCSA-N 0 1 293.411 3.578 20 0 CHADMN CC1(C)CO[C@H](CN2CC3(CCC3)[C@@H]2c2ccco2)C1 ZINC000639664645 1129328782 /nfs/dbraw/zinc/32/87/82/1129328782.db2.gz ILCIFJPEHRLXOB-ZFWWWQNUSA-N 0 1 275.392 3.622 20 0 CHADMN Fc1ccccc1C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639693606 1129329865 /nfs/dbraw/zinc/32/98/65/1129329865.db2.gz QJBSIOKMMCCHGR-HNNXBMFYSA-N 0 1 270.351 3.600 20 0 CHADMN CCCCCC[C@@H](CC)C(=O)NCc1cc(CC)[nH]n1 ZINC000735054744 1129330250 /nfs/dbraw/zinc/33/02/50/1129330250.db2.gz GWMPAKROEQFNAO-CYBMUJFWSA-N 0 1 279.428 3.585 20 0 CHADMN C[C@H](N)c1nc(-c2nc(C3CCCCCC3)no2)cs1 ZINC000090939326 1129336865 /nfs/dbraw/zinc/33/68/65/1129336865.db2.gz AZSHGJWOVDFFHG-VIFPVBQESA-N 0 1 292.408 3.651 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H](C)COc2ccccc2)cs1 ZINC000772857731 1131367477 /nfs/dbraw/zinc/36/74/77/1131367477.db2.gz VFTPRIZHLFXHBY-NWDGAFQWSA-N 0 1 276.405 3.570 20 0 CHADMN Cc1ncsc1CCN1CC(C)(C)[C@H]1c1ccco1 ZINC000639926083 1129340923 /nfs/dbraw/zinc/34/09/23/1129340923.db2.gz HHVLRGUXSPJHRN-CQSZACIVSA-N 0 1 276.405 3.670 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)N1CCC(CCF)CC1 ZINC000639989266 1129343613 /nfs/dbraw/zinc/34/36/13/1129343613.db2.gz ANRYHOSXDMORDK-LBPRGKRZSA-N 0 1 276.355 3.960 20 0 CHADMN Cc1nc(CNC/C=C/c2ccccc2)sc1C ZINC000719530656 1129343705 /nfs/dbraw/zinc/34/37/05/1129343705.db2.gz NTTIFHKJUVSFJD-RMKNXTFCSA-N 0 1 258.390 3.563 20 0 CHADMN Cc1nc([C@@H](C)N[C@H](C)COc2ccccc2)cs1 ZINC000772857735 1131367894 /nfs/dbraw/zinc/36/78/94/1131367894.db2.gz VFTPRIZHLFXHBY-VXGBXAGGSA-N 0 1 276.405 3.570 20 0 CHADMN Cc1ccc(C)c(CNCc2nc3c(s2)CCC3)c1 ZINC000719627349 1129346838 /nfs/dbraw/zinc/34/68/38/1129346838.db2.gz VKAWRNOKMGMDDL-UHFFFAOYSA-N 0 1 272.417 3.538 20 0 CHADMN Cc1nc2ccc(NC(=O)/C=C/C3CCCCC3)cc2[nH]1 ZINC000735466958 1129347896 /nfs/dbraw/zinc/34/78/96/1129347896.db2.gz VOWHEPMUZQHMHK-JXMROGBWSA-N 0 1 283.375 3.946 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@@H](C3CCC3)CC2)o1 ZINC000640106790 1129349212 /nfs/dbraw/zinc/34/92/12/1129349212.db2.gz UCOKRTXLEPCXKY-CQSZACIVSA-N 0 1 277.412 3.595 20 0 CHADMN CCc1nc(C(C)C)ccc1CN[C@@H]1CCCn2nccc21 ZINC000640220749 1129351606 /nfs/dbraw/zinc/35/16/06/1129351606.db2.gz OEYIOMAYGNIMSU-QGZVFWFLSA-N 0 1 298.434 3.589 20 0 CHADMN c1csc(-c2noc([C@@H]3CC[C@@H]4CCCC[C@@H]4N3)n2)c1 ZINC000091355299 1129356237 /nfs/dbraw/zinc/35/62/37/1129356237.db2.gz MQADYHOIVYQWTP-SRVKXCTJSA-N 0 1 289.404 3.781 20 0 CHADMN Cc1nc2cc(Nc3cc(F)cc(F)c3O)ccc2[nH]1 ZINC001213076610 1129356825 /nfs/dbraw/zinc/35/68/25/1129356825.db2.gz VEJKRTJGVGDWIM-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN C[C@H](N[C@H]1CCCc2cccnc21)c1cccc(F)c1 ZINC000091660413 1129367461 /nfs/dbraw/zinc/36/74/61/1129367461.db2.gz NWLHUHILILZDJD-LRDDRELGSA-N 0 1 270.351 3.949 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2cccnc21)c1cccc(F)c1 ZINC000091660412 1129367948 /nfs/dbraw/zinc/36/79/48/1129367948.db2.gz NWLHUHILILZDJD-MLGOLLRUSA-N 0 1 270.351 3.949 20 0 CHADMN C[C@H](N[C@@H]1CCCc2cccnc21)c1cccc(F)c1 ZINC000091660411 1129367988 /nfs/dbraw/zinc/36/79/88/1129367988.db2.gz NWLHUHILILZDJD-BLLLJJGKSA-N 0 1 270.351 3.949 20 0 CHADMN CSCC[C@@H](C)Nc1ccnc2cc(F)ccc21 ZINC000736298268 1129372683 /nfs/dbraw/zinc/37/26/83/1129372683.db2.gz DDFZOBRARMRMRH-SNVBAGLBSA-N 0 1 264.369 3.927 20 0 CHADMN CSCC[C@H](C)Nc1ccnc2cc(F)ccc21 ZINC000736298267 1129373089 /nfs/dbraw/zinc/37/30/89/1129373089.db2.gz DDFZOBRARMRMRH-JTQLQIEISA-N 0 1 264.369 3.927 20 0 CHADMN CC(C)[C@H](NCc1ccncc1N)c1ccccc1Cl ZINC000641724086 1129389022 /nfs/dbraw/zinc/38/90/22/1129389022.db2.gz BXAIYOAYUAJTHP-INIZCTEOSA-N 0 1 289.810 3.804 20 0 CHADMN Cc1cccc([C@H](C)OC(=O)c2cccc3[nH]ncc32)c1 ZINC000737339286 1129389244 /nfs/dbraw/zinc/38/92/44/1129389244.db2.gz LGKWUNGJZDDOBN-LBPRGKRZSA-N 0 1 280.327 3.789 20 0 CHADMN CCc1cc(CN[C@H](c2ccccc2)C2CCC2)on1 ZINC000641773959 1129391650 /nfs/dbraw/zinc/39/16/50/1129391650.db2.gz MULROHBACRTKFG-QGZVFWFLSA-N 0 1 270.376 3.868 20 0 CHADMN CN(C)Cc1cc(-c2cccc(N(C)C)c2)ccc1F ZINC001240988293 1129392396 /nfs/dbraw/zinc/39/23/96/1129392396.db2.gz NSABCDRNXTXNQB-UHFFFAOYSA-N 0 1 272.367 3.620 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H](C)C(F)F)CC3 ZINC000641792641 1129393141 /nfs/dbraw/zinc/39/31/41/1129393141.db2.gz XTEHJOXVUOXLFY-WDEREUQCSA-N 0 1 278.346 3.577 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H](C)C(F)F)CC3 ZINC000641792628 1129393385 /nfs/dbraw/zinc/39/33/85/1129393385.db2.gz XTEHJOXVUOXLFY-GHMZBOCLSA-N 0 1 278.346 3.577 20 0 CHADMN CCCCc1noc([C@@H](C)N(C)CC2CCCCC2)n1 ZINC000641958819 1129398941 /nfs/dbraw/zinc/39/89/41/1129398941.db2.gz ASGHMGHXGFARKJ-CYBMUJFWSA-N 0 1 279.428 3.985 20 0 CHADMN Cc1ccccc1-c1noc(CN(C)[C@@H](C)C(C)(C)C)n1 ZINC000642103104 1129406348 /nfs/dbraw/zinc/40/63/48/1129406348.db2.gz MQHQARXOGHMXEM-ZDUSSCGKSA-N 0 1 287.407 3.911 20 0 CHADMN COc1ccccc1[C@H]1CCCN1Cc1ccoc1 ZINC000093008394 1129415439 /nfs/dbraw/zinc/41/54/39/1129415439.db2.gz FBFIYGQHGXHAKU-OAHLLOKOSA-N 0 1 257.333 3.625 20 0 CHADMN CN(CCOC1CCCCCC1)Cc1ccsc1 ZINC000740873560 1129421680 /nfs/dbraw/zinc/42/16/80/1129421680.db2.gz KSIQIQSHMFGKCY-UHFFFAOYSA-N 0 1 267.438 3.919 20 0 CHADMN Cc1ccccc1COC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000741011027 1129425849 /nfs/dbraw/zinc/42/58/49/1129425849.db2.gz OZFLUWIASUZZAN-QGZVFWFLSA-N 0 1 289.419 3.549 20 0 CHADMN CC[C@H](OC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000741024419 1129426427 /nfs/dbraw/zinc/42/64/27/1129426427.db2.gz VLEGZYXORQVDJM-IVSAIRAKSA-N 0 1 289.419 3.942 20 0 CHADMN Cc1cc(COC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)c(C)s1 ZINC000741021435 1129426631 /nfs/dbraw/zinc/42/66/31/1129426631.db2.gz DZTHCTOCVMSONO-GVXVVHGQSA-N 0 1 295.448 3.669 20 0 CHADMN Cc1cc(C)cc(COC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)c1 ZINC000741017695 1129426722 /nfs/dbraw/zinc/42/67/22/1129426722.db2.gz QIQSVYUSUXOWMH-OWCLPIDISA-N 0 1 289.419 3.608 20 0 CHADMN C[C@H](OC(=O)[C@H](C)N1CCCCCC1)c1ccc(F)cc1 ZINC000741030499 1129426756 /nfs/dbraw/zinc/42/67/56/1129426756.db2.gz WXDOUEJMCNMSJH-KBPBESRZSA-N 0 1 293.382 3.694 20 0 CHADMN C[C@H](COC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000741018678 1129426830 /nfs/dbraw/zinc/42/68/30/1129426830.db2.gz UOGULGKRXVXPNB-WCVJEAGWSA-N 0 1 289.419 3.595 20 0 CHADMN CCSCCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000741471022 1129437340 /nfs/dbraw/zinc/43/73/40/1129437340.db2.gz LSVNJVRFCDCWCQ-HJWRWDBZSA-N 0 1 291.445 3.820 20 0 CHADMN c1cc(-c2ccn(CN3CCC4(CCC4)CC3)n2)cs1 ZINC000795713201 1129439326 /nfs/dbraw/zinc/43/93/26/1129439326.db2.gz GMVJHRGCWHQJOJ-UHFFFAOYSA-N 0 1 287.432 3.835 20 0 CHADMN Cc1cnc(=S)n(C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)c1 ZINC000795748885 1129446342 /nfs/dbraw/zinc/44/63/42/1129446342.db2.gz ZPCWDGXYGIYUBU-XJKSGUPXSA-N 0 1 299.443 3.962 20 0 CHADMN CCOc1ccc(F)cc1-c1ccc2cncn2c1 ZINC001241102813 1129447291 /nfs/dbraw/zinc/44/72/91/1129447291.db2.gz BPUPYVRFQNACCT-UHFFFAOYSA-N 0 1 256.280 3.539 20 0 CHADMN Cc1cc(CNc2nccn2CC(C)C)cnc1Cl ZINC000795805915 1129447817 /nfs/dbraw/zinc/44/78/17/1129447817.db2.gz OHTRQTDLZWLCDL-UHFFFAOYSA-N 0 1 278.787 3.508 20 0 CHADMN C[C@H](N[C@@H](C)c1ccnc(Cl)c1)c1cncs1 ZINC000795836331 1129451192 /nfs/dbraw/zinc/45/11/92/1129451192.db2.gz AOHCATXCTVHPDO-IUCAKERBSA-N 0 1 267.785 3.603 20 0 CHADMN Fc1ccc2c(c1)CCN(Cc1ccc3[nH]ccc3c1)C2 ZINC000643889302 1129453273 /nfs/dbraw/zinc/45/32/73/1129453273.db2.gz SGYOBZNHJGKTQN-UHFFFAOYSA-N 0 1 280.346 3.865 20 0 CHADMN CCCOC(=O)[C@H](C)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000741798059 1129453711 /nfs/dbraw/zinc/45/37/11/1129453711.db2.gz ZQNTYXSNOCAODK-HRCADAONSA-N 0 1 289.419 3.515 20 0 CHADMN Cc1ccc(C2=CCN(Cc3ccncc3)CC2)cc1 ZINC000741804300 1129454490 /nfs/dbraw/zinc/45/44/90/1129454490.db2.gz BLLGZEILWRDGFQ-UHFFFAOYSA-N 0 1 264.372 3.679 20 0 CHADMN Cc1nc2cc(Nc3cccc(C)c3O)ccc2[nH]1 ZINC001213073090 1129460868 /nfs/dbraw/zinc/46/08/68/1129460868.db2.gz DCYHCXLNKPWEQB-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1cc2[nH]cnc2cc1-c1c(F)cc(O)cc1F ZINC001241121981 1129461118 /nfs/dbraw/zinc/46/11/18/1129461118.db2.gz GYZGTCIPMNYDRO-UHFFFAOYSA-N 0 1 260.243 3.522 20 0 CHADMN Cc1c(CN(C)[C@@H]2CCc3cc(Cl)ccc32)cnn1C ZINC000796049706 1129465128 /nfs/dbraw/zinc/46/51/28/1129465128.db2.gz LIOSLZDEOSONPZ-MRXNPFEDSA-N 0 1 289.810 3.501 20 0 CHADMN CC(C)C1CCN(Cn2cc(-c3ccccc3)cn2)CC1 ZINC000742170142 1129468368 /nfs/dbraw/zinc/46/83/68/1129468368.db2.gz XMCFTOFLDXHUFP-UHFFFAOYSA-N 0 1 283.419 3.876 20 0 CHADMN CCCCC[C@H](CCC)N[C@H](C(=O)OC)C(C)C ZINC001258661405 1129469021 /nfs/dbraw/zinc/46/90/21/1129469021.db2.gz FQTCRLCTXFHVOA-KBPBESRZSA-N 0 1 257.418 3.523 20 0 CHADMN Cc1cccc(N[C@H](c2nnc[nH]2)C2CCCCC2)c1F ZINC000644543213 1129469515 /nfs/dbraw/zinc/46/95/15/1129469515.db2.gz MWOSRAQJSUNTSJ-HNNXBMFYSA-N 0 1 288.370 3.986 20 0 CHADMN Clc1ccc(C2(NCc3ccoc3)CCOCC2)cc1 ZINC000742372852 1129475495 /nfs/dbraw/zinc/47/54/95/1129475495.db2.gz IRNQEXZJRVDCBD-UHFFFAOYSA-N 0 1 291.778 3.729 20 0 CHADMN c1coc(-c2cc(CN3CCC(C4CC4)CC3)no2)c1 ZINC000644719441 1129476413 /nfs/dbraw/zinc/47/64/13/1129476413.db2.gz WGRYZUCRSIEMQM-UHFFFAOYSA-N 0 1 272.348 3.557 20 0 CHADMN Cc1nsc(N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000742407464 1129476870 /nfs/dbraw/zinc/47/68/70/1129476870.db2.gz MPAIEMJKHLDWPF-LURJTMIESA-N 0 1 293.783 3.549 20 0 CHADMN c1ccc2sc(CN3CCC(C4CC4)CC3)nc2c1 ZINC000644720407 1129477343 /nfs/dbraw/zinc/47/73/43/1129477343.db2.gz XAIFLGKCNKIPIJ-UHFFFAOYSA-N 0 1 272.417 3.918 20 0 CHADMN FC(F)(F)c1cccnc1CN1CCC(C2CC2)CC1 ZINC000644720128 1129477400 /nfs/dbraw/zinc/47/74/00/1129477400.db2.gz OHDRUJRWOABXLB-UHFFFAOYSA-N 0 1 284.325 3.722 20 0 CHADMN OCCCCCCCSc1nc(-c2ccccc2)n[nH]1 ZINC000742449014 1129479005 /nfs/dbraw/zinc/47/90/05/1129479005.db2.gz KRQSJCLCASZECH-UHFFFAOYSA-N 0 1 291.420 3.507 20 0 CHADMN C[C@H](CN1CCO[C@@H](c2ccco2)C1)C1CCCCC1 ZINC000645090905 1129487233 /nfs/dbraw/zinc/48/72/33/1129487233.db2.gz DGLOKRAXQQAVKJ-RHSMWYFYSA-N 0 1 277.408 3.869 20 0 CHADMN COc1ccc(F)c(CNCc2ccnc3ccccc23)c1 ZINC000645160880 1129489237 /nfs/dbraw/zinc/48/92/37/1129489237.db2.gz VUIRIRPHVDIETN-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN CC(C)(C[NH2+]Cc1cccc([O-])c1Cl)[C@@H]1CCCCO1 ZINC000645161742 1129489389 /nfs/dbraw/zinc/48/93/89/1129489389.db2.gz BMZRKZUCZWHDMV-AWEZNQCLSA-N 0 1 297.826 3.731 20 0 CHADMN CC(C)(C[NH2+]Cc1cccc([O-])c1Cl)[C@H]1CCCCO1 ZINC000645161743 1129489541 /nfs/dbraw/zinc/48/95/41/1129489541.db2.gz BMZRKZUCZWHDMV-CQSZACIVSA-N 0 1 297.826 3.731 20 0 CHADMN CC(C)OC1CCC([NH2+]Cc2cccc([O-])c2Cl)CC1 ZINC000645169223 1129490505 /nfs/dbraw/zinc/49/05/05/1129490505.db2.gz GYZGAZAZPPGQQR-UHFFFAOYSA-N 0 1 297.826 3.871 20 0 CHADMN Cc1cc(Cl)cc(CNCc2ccc(Cl)cn2)c1 ZINC000645171579 1129490522 /nfs/dbraw/zinc/49/05/22/1129490522.db2.gz OQECJXYAKZQCAD-UHFFFAOYSA-N 0 1 281.186 3.987 20 0 CHADMN CC[C@@H](N[C@@H](C)c1c[nH]nc1C)c1ccc(F)cc1F ZINC000180581409 1129494522 /nfs/dbraw/zinc/49/45/22/1129494522.db2.gz UVZXVLQHNUMNTG-BJOHPYRUSA-N 0 1 279.334 3.798 20 0 CHADMN COc1ccncc1CN[C@H]1c2ccccc2CC[C@@H]1C ZINC000645467287 1129498614 /nfs/dbraw/zinc/49/86/14/1129498614.db2.gz TZFHFJPPJVBMLL-SCLBCKFNSA-N 0 1 282.387 3.503 20 0 CHADMN c1coc(CN(CCC[C@@H]2CCOC2)Cc2ccco2)c1 ZINC000645762653 1129505244 /nfs/dbraw/zinc/50/52/44/1129505244.db2.gz QZXKGENMRXGKIK-OAHLLOKOSA-N 0 1 289.375 3.692 20 0 CHADMN CCc1nc([C@H](C)NCCc2c(F)cccc2F)cs1 ZINC000645855811 1129509811 /nfs/dbraw/zinc/50/98/11/1129509811.db2.gz VIAIDLNRASHZAZ-JTQLQIEISA-N 0 1 296.386 3.877 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1ccc(C)cc1OCC1CC1 ZINC000180739434 1129510433 /nfs/dbraw/zinc/51/04/33/1129510433.db2.gz XRJRJYAOCCPWPX-CYBMUJFWSA-N 0 1 299.418 3.666 20 0 CHADMN C[C@H](NCC1=CCCC1)c1nc(C(F)(F)F)cs1 ZINC000645894367 1129511774 /nfs/dbraw/zinc/51/17/74/1129511774.db2.gz REBORQQJMGKVIJ-QMMMGPOBSA-N 0 1 276.327 3.923 20 0 CHADMN CC(C)(C)OCCNC1(c2ccccc2Cl)CC1 ZINC000645976550 1129514987 /nfs/dbraw/zinc/51/49/87/1129514987.db2.gz KTWHRMHGRLYYRP-UHFFFAOYSA-N 0 1 267.800 3.734 20 0 CHADMN CCc1noc(C)c1CNC1(c2ccccc2C)CC1 ZINC000645980092 1129515911 /nfs/dbraw/zinc/51/59/11/1129515911.db2.gz FUYHNCMNBAMVAO-UHFFFAOYSA-N 0 1 270.376 3.633 20 0 CHADMN Cc1ccc([C@@H](O)CN(C)Cc2ccccc2Cl)cc1 ZINC000743250081 1129516631 /nfs/dbraw/zinc/51/66/31/1129516631.db2.gz VICOQHFJIPDAIM-KRWDZBQOSA-N 0 1 289.806 3.814 20 0 CHADMN Cc1cnc(CN2CCC[C@@]2(C)Cc2ccccc2F)nc1 ZINC000646010856 1129516750 /nfs/dbraw/zinc/51/67/50/1129516750.db2.gz UVHONWGRVOJROT-SFHVURJKSA-N 0 1 299.393 3.521 20 0 CHADMN Cc1cc(-c2nnc(CN(C)CCC(C)(C)C)o2)c(C)o1 ZINC000646027595 1129518113 /nfs/dbraw/zinc/51/81/13/1129518113.db2.gz QWPQUFRCAWWKKX-UHFFFAOYSA-N 0 1 291.395 3.814 20 0 CHADMN CCO[C@@H]1CCCN(Cc2cc(C)cc(Cl)c2)C1 ZINC000646046193 1129519109 /nfs/dbraw/zinc/51/91/09/1129519109.db2.gz GDUYNKIFFMBEFC-OAHLLOKOSA-N 0 1 267.800 3.649 20 0 CHADMN CCCN(Cn1cc[nH]c1=S)[C@H]1CCc2ccccc21 ZINC000743358089 1129520542 /nfs/dbraw/zinc/52/05/42/1129520542.db2.gz FXYCBCHLULHRAE-HNNXBMFYSA-N 0 1 287.432 3.529 20 0 CHADMN C[C@H](c1csnn1)N1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000646052113 1129520564 /nfs/dbraw/zinc/52/05/64/1129520564.db2.gz BJACGZMVXWOFDS-UPJWGTAASA-N 0 1 279.453 3.747 20 0 CHADMN CCc1nocc1CN([C@H](C)c1ccccc1)C1CC1 ZINC000646052815 1129520675 /nfs/dbraw/zinc/52/06/75/1129520675.db2.gz RCTQPWKQCRGWJW-CYBMUJFWSA-N 0 1 270.376 3.963 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1ccccc1OC1CCC1 ZINC000180905541 1129521132 /nfs/dbraw/zinc/52/11/32/1129521132.db2.gz KJCPRJUEKCOQRV-GFCCVEGCSA-N 0 1 285.391 3.500 20 0 CHADMN CC(C)[C@@H](C)N(C)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743354584 1129521144 /nfs/dbraw/zinc/52/11/44/1129521144.db2.gz QFTDVVNZQPOVRR-DOMZBBRYSA-N 0 1 294.826 3.547 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1noc(-c2ccccc2)n1 ZINC000646089608 1129521558 /nfs/dbraw/zinc/52/15/58/1129521558.db2.gz ZWQNDQMFBQMRKO-PMOUVXMZSA-N 0 1 283.375 3.576 20 0 CHADMN C[C@@H](N(C)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1)C(C)(C)C ZINC000743347645 1129522074 /nfs/dbraw/zinc/52/20/74/1129522074.db2.gz DXHXQKRDFJJCIJ-SQWLQELKSA-N 0 1 288.435 3.530 20 0 CHADMN Cc1nn(C)cc1CN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646118264 1129523969 /nfs/dbraw/zinc/52/39/69/1129523969.db2.gz GQWMAHSEMBXICR-SFHVURJKSA-N 0 1 293.414 3.622 20 0 CHADMN CCOc1cccc(CNC2(c3ccc(C)cc3)CCC2)n1 ZINC000646130921 1129525483 /nfs/dbraw/zinc/52/54/83/1129525483.db2.gz RMZUEEHXCDVZER-UHFFFAOYSA-N 0 1 296.414 3.958 20 0 CHADMN [O-]c1cccc(C[NH+]2CCC(C3CC3)CC2)c1Cl ZINC000646206570 1129528990 /nfs/dbraw/zinc/52/89/90/1129528990.db2.gz HIFGJUFEVNTYOE-UHFFFAOYSA-N 0 1 265.784 3.668 20 0 CHADMN Oc1cccc(CN2CCC(C3CC3)CC2)c1Cl ZINC000646206570 1129528993 /nfs/dbraw/zinc/52/89/93/1129528993.db2.gz HIFGJUFEVNTYOE-UHFFFAOYSA-N 0 1 265.784 3.668 20 0 CHADMN CC(C)[C@@H]1CN(Cc2cscc2Cl)CCCO1 ZINC000646300579 1129532133 /nfs/dbraw/zinc/53/21/33/1129532133.db2.gz ZFQJVLNOKUPESC-ZDUSSCGKSA-N 0 1 273.829 3.648 20 0 CHADMN C[C@@H]1CCC[C@@H](C(=O)Nc2c(=O)[nH][nH]c2-c2ccccc2)C1 ZINC000646465017 1129537889 /nfs/dbraw/zinc/53/78/89/1129537889.db2.gz GBMRYROSBXYNFM-DGCLKSJQSA-N 0 1 299.374 3.547 20 0 CHADMN CC(C)=C[C@@H]1[C@@H](c2nc(C3(N)CCCC3)no2)C1(C)C ZINC000647137778 1129551952 /nfs/dbraw/zinc/55/19/52/1129551952.db2.gz UAQJIRSNWYALIS-NEPJUHHUSA-N 0 1 275.396 3.503 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C[C@H](C)CC(C)(C)C)n1 ZINC000647133291 1129551973 /nfs/dbraw/zinc/55/19/73/1129551973.db2.gz YEUOLCKKUOQQJN-NWDGAFQWSA-N 0 1 267.417 3.730 20 0 CHADMN CC(C)Cc1ccc([C@H](C)c2nc([C@@H]3CCCN3)no2)cc1 ZINC000647146526 1129552067 /nfs/dbraw/zinc/55/20/67/1129552067.db2.gz XNUNJFYAVBZRTO-BBRMVZONSA-N 0 1 299.418 3.844 20 0 CHADMN C/C(=C/c1ccc(Cl)cc1)c1nc([C@@H]2CCCN2)no1 ZINC000647146756 1129552295 /nfs/dbraw/zinc/55/22/95/1129552295.db2.gz BAFQDEXNVPSQAL-XPSMFNQNSA-N 0 1 289.766 3.708 20 0 CHADMN C/C(=C\c1ccccc1Cl)c1nc([C@@H]2CCCN2)no1 ZINC000647156931 1129552586 /nfs/dbraw/zinc/55/25/86/1129552586.db2.gz WBNZZMSLCHZBPS-LXKVQUBZSA-N 0 1 289.766 3.708 20 0 CHADMN COc1ccccc1C1(NCc2ccsc2)CC1 ZINC000647232947 1129559287 /nfs/dbraw/zinc/55/92/87/1129559287.db2.gz JTFWJCFHUNYBNV-UHFFFAOYSA-N 0 1 259.374 3.536 20 0 CHADMN FCC1(NCc2cccc(C(F)(F)F)c2)CCC1 ZINC000647254429 1129561164 /nfs/dbraw/zinc/56/11/64/1129561164.db2.gz MRLUZZTXRBPADA-UHFFFAOYSA-N 0 1 261.262 3.687 20 0 CHADMN CC(C)C[C@@H](NCc1cccc2c1OCO2)c1ccncc1 ZINC000647284023 1129562978 /nfs/dbraw/zinc/56/29/78/1129562978.db2.gz YHRNHDJRXOCSEE-MRXNPFEDSA-N 0 1 298.386 3.687 20 0 CHADMN CC(C)C[C@@H](NCc1cn2ccccc2n1)c1ccncc1 ZINC000647280888 1129563545 /nfs/dbraw/zinc/56/35/45/1129563545.db2.gz JYSGCNFTVUFDBQ-QGZVFWFLSA-N 0 1 294.402 3.606 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647299776 1129566030 /nfs/dbraw/zinc/56/60/30/1129566030.db2.gz DXLGSASDIAGFQD-WDEREUQCSA-N 0 1 289.345 3.601 20 0 CHADMN COc1ccccc1C1(N[C@H](C)c2cnccc2C)CC1 ZINC000647329460 1129569799 /nfs/dbraw/zinc/56/97/99/1129569799.db2.gz PXKZYVIMXNTPOG-CQSZACIVSA-N 0 1 282.387 3.739 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NC1(c2ccccc2F)CCC1 ZINC000647332568 1129570348 /nfs/dbraw/zinc/57/03/48/1129570348.db2.gz AMNKAQRTIVHCET-LBPRGKRZSA-N 0 1 287.382 3.598 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NC1(c2ccccc2F)CCC1 ZINC000647332924 1129570470 /nfs/dbraw/zinc/57/04/70/1129570470.db2.gz HWRUCFIRYYGFPX-NSHDSACASA-N 0 1 273.355 3.587 20 0 CHADMN Cc1csc(C(C)(C)NC[C@]2(C)CC2(Cl)Cl)n1 ZINC000828310279 1131382815 /nfs/dbraw/zinc/38/28/15/1131382815.db2.gz BKGGOXHWXJNPAU-NSHDSACASA-N 0 1 293.263 3.860 20 0 CHADMN Cc1ccc2nc(CNC(=O)C3CCCCCCC3)[nH]c2c1 ZINC000744746343 1129584232 /nfs/dbraw/zinc/58/42/32/1129584232.db2.gz OMKXOLJRDHSDCK-UHFFFAOYSA-N 0 1 299.418 3.848 20 0 CHADMN CCOc1cc(C2=CCCN(C)C2)cc(C(F)(F)F)c1 ZINC001241571885 1129584310 /nfs/dbraw/zinc/58/43/10/1129584310.db2.gz KAGFBUGZALMFCC-UHFFFAOYSA-N 0 1 285.309 3.823 20 0 CHADMN Cc1nc(CN2CCC[C@H](C(C)(C)C)CC2)co1 ZINC000647964684 1129590320 /nfs/dbraw/zinc/59/03/20/1129590320.db2.gz UQKZLWDQUFAPJY-ZDUSSCGKSA-N 0 1 250.386 3.631 20 0 CHADMN Cc1ccc(-c2nn(C)cc2CN(C)[C@@H](C)c2ccco2)o1 ZINC000648001239 1129591621 /nfs/dbraw/zinc/59/16/21/1129591621.db2.gz BQDCKRJOBSGPBF-ZDUSSCGKSA-N 0 1 299.374 3.775 20 0 CHADMN COc1ccccc1C1(NCc2cc(C)c(O)c(C)c2)CC1 ZINC000648056151 1129594081 /nfs/dbraw/zinc/59/40/81/1129594081.db2.gz XASDZTRXRGATHL-UHFFFAOYSA-N 0 1 297.398 3.797 20 0 CHADMN Cc1[nH]nc2cc(-c3cccc(C(F)(F)F)n3)ccc12 ZINC001241636678 1129595142 /nfs/dbraw/zinc/59/51/42/1129595142.db2.gz FRDPROHNPPPIAQ-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN C[C@H](N[C@H]1CSCc2ccccc21)c1ccccn1 ZINC000037219061 1129597561 /nfs/dbraw/zinc/59/75/61/1129597561.db2.gz YQYXBUYRZHJBAR-LRDDRELGSA-N 0 1 270.401 3.720 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccc(Cl)cn1)CC2 ZINC000182112826 1129597570 /nfs/dbraw/zinc/59/75/70/1129597570.db2.gz FUJZQKYVIVMOLW-HNNXBMFYSA-N 0 1 276.742 3.651 20 0 CHADMN Fc1cc(OC(F)F)ccc1-c1ccc2nc[nH]c2c1 ZINC001241697175 1129603974 /nfs/dbraw/zinc/60/39/74/1129603974.db2.gz UTYLXYIVSNZZIP-UHFFFAOYSA-N 0 1 278.233 3.970 20 0 CHADMN C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc2cccnc2o1 ZINC000648509824 1129609833 /nfs/dbraw/zinc/60/98/33/1129609833.db2.gz CYAPQYUMEFMPNP-ZYHUDNBSSA-N 0 1 298.308 3.991 20 0 CHADMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1cc2cccnc2o1 ZINC000648509824 1129609834 /nfs/dbraw/zinc/60/98/34/1129609834.db2.gz CYAPQYUMEFMPNP-ZYHUDNBSSA-N 0 1 298.308 3.991 20 0 CHADMN CC[C@H](C)[C@H](CNCc1csc(-c2ccco2)n1)OC ZINC000648658399 1129618713 /nfs/dbraw/zinc/61/87/13/1129618713.db2.gz DLDZQVJGMYWRKM-FZMZJTMJSA-N 0 1 294.420 3.554 20 0 CHADMN Cc1ncsc1CN(C)Cc1cccc2cnccc21 ZINC000183254683 1129622176 /nfs/dbraw/zinc/62/21/76/1129622176.db2.gz XZPVHGTXIIFBJH-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN C[C@@H]1CCCN1CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000746091593 1129624937 /nfs/dbraw/zinc/62/49/37/1129624937.db2.gz FBMIVEAORKDJFA-OAHLLOKOSA-N 0 1 294.398 3.776 20 0 CHADMN c1csc(-c2nc(CN[C@H]3CCCC34CCC4)no2)c1 ZINC000648767061 1129625169 /nfs/dbraw/zinc/62/51/69/1129625169.db2.gz HYLMAAIRWRDLHP-LBPRGKRZSA-N 0 1 289.404 3.611 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)CN2CCC[C@@H]2C)cc1 ZINC000746092599 1129625860 /nfs/dbraw/zinc/62/58/60/1129625860.db2.gz YPKXZNTWZGYQDN-KBPBESRZSA-N 0 1 274.408 3.623 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1c(C)oc2ccccc21 ZINC000184720062 1129631313 /nfs/dbraw/zinc/63/13/13/1129631313.db2.gz VQKNFHMJYLOPNT-JTQLQIEISA-N 0 1 269.348 3.624 20 0 CHADMN c1ccc2c(c1)CN(Cc1cccc3ncccc13)CCO2 ZINC001137628344 1131387141 /nfs/dbraw/zinc/38/71/41/1131387141.db2.gz YSJIVWXSCNKSQZ-UHFFFAOYSA-N 0 1 290.366 3.629 20 0 CHADMN Fc1cc(Br)cc(CN2CC[C@H]3CCC[C@@H]32)c1 ZINC000378718799 1129634663 /nfs/dbraw/zinc/63/46/63/1129634663.db2.gz BAQKLEJTUCIONE-RISCZKNCSA-N 0 1 298.199 3.963 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)c1ccccn1)[C@@H]1CCCCO1 ZINC000379179359 1129636169 /nfs/dbraw/zinc/63/61/69/1129636169.db2.gz OMRFKDHGUDGGNE-SNRMKQJTSA-N 0 1 296.414 3.718 20 0 CHADMN COc1ccc(F)cc1CNCc1cccc2cnccc21 ZINC000189202988 1129637812 /nfs/dbraw/zinc/63/78/12/1129637812.db2.gz ZYPKQONWEDGTIV-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN C=C/C=C\CCN1CCO[C@@H](c2ccccc2C)C1 ZINC001459588579 1129640641 /nfs/dbraw/zinc/64/06/41/1129640641.db2.gz CVYFAUPZRLSGQM-VGOKWCNXSA-N 0 1 257.377 3.501 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H](C(F)(F)F)C2)c1 ZINC000649399900 1129642937 /nfs/dbraw/zinc/64/29/37/1129642937.db2.gz KHMUUCBVWKSUJY-NSHDSACASA-N 0 1 261.262 3.518 20 0 CHADMN C[C@H](c1ccc(CN(C)Cc2cn[nH]c2)cc1)C(F)(F)F ZINC000649385699 1129643193 /nfs/dbraw/zinc/64/31/93/1129643193.db2.gz GFFUYJVRYQTOLD-LLVKDONJSA-N 0 1 297.324 3.708 20 0 CHADMN c1nc2ccc(-c3cccc(CO[C@@H]4CCOC4)c3)cc2[nH]1 ZINC000649442382 1129650000 /nfs/dbraw/zinc/65/00/00/1129650000.db2.gz MATRSWAZMNFVQB-MRXNPFEDSA-N 0 1 294.354 3.535 20 0 CHADMN CCCN(Cc1cc2n(n1)CCC2)[C@H]1CCc2ccccc21 ZINC000649500817 1129654306 /nfs/dbraw/zinc/65/43/06/1129654306.db2.gz UALFTOGEQAIBDW-IBGZPJMESA-N 0 1 295.430 3.729 20 0 CHADMN O=C(CN1CCC12CCCC2)Nc1cccc2ccccc21 ZINC000649656970 1129666226 /nfs/dbraw/zinc/66/62/26/1129666226.db2.gz HLOFEHZOEUYETM-UHFFFAOYSA-N 0 1 294.398 3.797 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCC23CCCC3)n1 ZINC000649656012 1129666884 /nfs/dbraw/zinc/66/68/84/1129666884.db2.gz YTGMHAMIXILXSI-UHFFFAOYSA-N 0 1 283.375 3.564 20 0 CHADMN C[C@]1(c2cccc(F)c2)CCN(CCC(F)(F)F)C1 ZINC000649662584 1129667839 /nfs/dbraw/zinc/66/78/39/1129667839.db2.gz JIXPPAPMKPVDMC-ZDUSSCGKSA-N 0 1 275.289 3.742 20 0 CHADMN Cc1cc([C@@H]2CCCN2CC[C@H]2CC2(Cl)Cl)on1 ZINC000822583953 1131389394 /nfs/dbraw/zinc/38/93/94/1131389394.db2.gz XORORMZQKOOOBA-QWRGUYRKSA-N 0 1 289.206 3.704 20 0 CHADMN c1nc(-c2ccccc2)nn1CN1CCC2(CCCC2)CC1 ZINC000738283424 1129669487 /nfs/dbraw/zinc/66/94/87/1129669487.db2.gz QEOPUYISRJELNU-UHFFFAOYSA-N 0 1 296.418 3.559 20 0 CHADMN Cc1ccc(C(C)(C)Nc2cccc(CN(C)C)n2)cc1 ZINC001168808035 1129673927 /nfs/dbraw/zinc/67/39/27/1129673927.db2.gz PCHVUMBVYNKCKC-UHFFFAOYSA-N 0 1 283.419 3.799 20 0 CHADMN CC(C)c1cc(CNc2cc(OCC3CC3)ccn2)on1 ZINC001168827973 1129675402 /nfs/dbraw/zinc/67/54/02/1129675402.db2.gz UVADKLGBBGNPJB-UHFFFAOYSA-N 0 1 287.363 3.594 20 0 CHADMN CCc1ccc(-c2noc(CNC3(C4CCC4)CC3)n2)cc1 ZINC000649805975 1129678562 /nfs/dbraw/zinc/67/85/62/1129678562.db2.gz IPBTYDPNAJCSFY-UHFFFAOYSA-N 0 1 297.402 3.721 20 0 CHADMN ClC1(Cl)C[C@H]1CCN1CCOC2(CCCCC2)C1 ZINC000822640385 1131390861 /nfs/dbraw/zinc/39/08/61/1131390861.db2.gz VEYOQOGHCGRXLW-GFCCVEGCSA-N 0 1 292.250 3.605 20 0 CHADMN C[C@]1(CN2CCc3ccsc3C2)CC1(Cl)Cl ZINC000828555832 1131390300 /nfs/dbraw/zinc/39/03/00/1131390300.db2.gz PKLJFNPVEOWYMQ-LLVKDONJSA-N 0 1 276.232 3.690 20 0 CHADMN C[C@@H](c1cc(Cl)ccc1Cl)N1CCN(C)[C@H](C)C1 ZINC001168910930 1129683339 /nfs/dbraw/zinc/68/33/39/1129683339.db2.gz LEKLQRRGFGCUEC-MNOVXSKESA-N 0 1 287.234 3.690 20 0 CHADMN FC(F)(F)c1ccccc1CN1CC[C@@]2(CC2(F)F)C1 ZINC000649899249 1129684529 /nfs/dbraw/zinc/68/45/29/1129684529.db2.gz BQMINGNWENTNNK-GFCCVEGCSA-N 0 1 291.263 3.937 20 0 CHADMN COc1cccc2c1CN(Cc1sccc1C)CC2 ZINC001204019226 1129686579 /nfs/dbraw/zinc/68/65/79/1129686579.db2.gz RLUGGNHBOXVCBY-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN c1ccc([C@@H]2C[C@H]3[C@H](CCCN3Cc3ccccn3)O2)cc1 ZINC000649917812 1129686906 /nfs/dbraw/zinc/68/69/06/1129686906.db2.gz AIXKVGLXKVXAAI-FHWLQOOXSA-N 0 1 294.398 3.576 20 0 CHADMN COC(=O)[C@H](NCC1CCCCCC1)C1CCCCC1 ZINC001169054587 1129693318 /nfs/dbraw/zinc/69/33/18/1129693318.db2.gz AYZSTHBXPYDGQD-MRXNPFEDSA-N 0 1 281.440 3.668 20 0 CHADMN Cc1nc2ccc(Nc3ncccc3N3CCCC3)cc2[nH]1 ZINC001213073334 1129693744 /nfs/dbraw/zinc/69/37/44/1129693744.db2.gz MZPHVCHZVKYQSL-UHFFFAOYSA-N 0 1 293.374 3.610 20 0 CHADMN CCOC(CN(C)Cc1ccc(C(C)(C)C)cc1)OCC ZINC000038338108 1129694683 /nfs/dbraw/zinc/69/46/83/1129694683.db2.gz XEZWSRUTOYKRED-UHFFFAOYSA-N 0 1 293.451 3.815 20 0 CHADMN CC(C)COc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2CF)cc1 ZINC001138968599 1129701103 /nfs/dbraw/zinc/70/11/03/1129701103.db2.gz DRORAMQPSGZFBB-HOCLYGCPSA-N 0 1 279.399 3.901 20 0 CHADMN CC(C)COc1ccc(CN2C[C@@H](C)C[C@H]2CF)cc1 ZINC001138968599 1129701105 /nfs/dbraw/zinc/70/11/05/1129701105.db2.gz DRORAMQPSGZFBB-HOCLYGCPSA-N 0 1 279.399 3.901 20 0 CHADMN Cc1nc(C)c(CN(C)Cc2ccc(C)c(C)c2)o1 ZINC000650311562 1129703093 /nfs/dbraw/zinc/70/30/93/1129703093.db2.gz MTTQENXZSIERBD-UHFFFAOYSA-N 0 1 258.365 3.540 20 0 CHADMN FC1(F)CCC[C@H](Nc2cc(OCC3CC3)ccn2)C1 ZINC001169213892 1129708579 /nfs/dbraw/zinc/70/85/79/1129708579.db2.gz QYRUMFZZGKGAMT-LBPRGKRZSA-N 0 1 282.334 3.860 20 0 CHADMN Cc1ccc(CCCNc2ccc3[nH]cnc3c2C)cn1 ZINC001169259812 1129714031 /nfs/dbraw/zinc/71/40/31/1129714031.db2.gz TYVROIWTQBJSLZ-UHFFFAOYSA-N 0 1 280.375 3.619 20 0 CHADMN CCC1(CC)CCCN(Cc2nccn2CC(F)F)CC1 ZINC001169301122 1129717361 /nfs/dbraw/zinc/71/73/61/1129717361.db2.gz SGPMRUKIXHXSMV-UHFFFAOYSA-N 0 1 299.409 3.941 20 0 CHADMN C[C@@H]1C[C@@H](Nc2ccnc3[nH]cnc32)c2ccccc21 ZINC001169379902 1129723097 /nfs/dbraw/zinc/72/30/97/1129723097.db2.gz OMDOYKMIIAFDPA-QMTHXVAHSA-N 0 1 264.332 3.618 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccc(C)cc2)o1 ZINC000650807144 1129723355 /nfs/dbraw/zinc/72/33/55/1129723355.db2.gz QKLNDIMGQXMLRS-HNNXBMFYSA-N 0 1 287.359 3.550 20 0 CHADMN Cc1cc(C)c2c(c1)CN(CC1(Br)CC1)CC2 ZINC001169420053 1129726066 /nfs/dbraw/zinc/72/60/66/1129726066.db2.gz MFAOPRNLQSFYSI-UHFFFAOYSA-N 0 1 294.236 3.589 20 0 CHADMN Clc1ccc(OCC2CC2)c(CN2CC[C@H]3C[C@H]32)c1 ZINC000796450896 1129727670 /nfs/dbraw/zinc/72/76/70/1129727670.db2.gz SXOWMJJMCTXHQB-SWLSCSKDSA-N 0 1 277.795 3.723 20 0 CHADMN CCc1ccc([C@H](O)CNCc2ccsc2Cl)cc1 ZINC000796451136 1129727866 /nfs/dbraw/zinc/72/78/66/1129727866.db2.gz STURVFNMGYKOSU-CQSZACIVSA-N 0 1 295.835 3.787 20 0 CHADMN CCOC(=O)[C@H](CC)N(CC)C[C@@H](CC)c1ccccc1 ZINC001169483790 1129728689 /nfs/dbraw/zinc/72/86/89/1129728689.db2.gz VCMMOGQKCJKWJF-WBVHZDCISA-N 0 1 291.435 3.844 20 0 CHADMN Cc1nc2cc(NC[C@@H](C)c3ccc(O)cc3)ccc2[nH]1 ZINC001169539548 1129734596 /nfs/dbraw/zinc/73/45/96/1129734596.db2.gz NOOCOFPRTGWXCC-LLVKDONJSA-N 0 1 281.359 3.793 20 0 CHADMN C[C@H](NC1(c2ccc(F)cc2)CCCC1)c1ccncn1 ZINC000651291970 1129736044 /nfs/dbraw/zinc/73/60/44/1129736044.db2.gz UTNOJYVAOKHLFD-ZDUSSCGKSA-N 0 1 285.366 3.736 20 0 CHADMN CCc1cccc(CN[C@@H]2CCOc3c(OC)cccc32)c1 ZINC000651710520 1129745351 /nfs/dbraw/zinc/74/53/51/1129745351.db2.gz FCSVJYWEDJSMKO-QGZVFWFLSA-N 0 1 297.398 3.871 20 0 CHADMN CCc1noc(CC)c1CNCc1cccc2c1CCC2 ZINC000651738148 1129746158 /nfs/dbraw/zinc/74/61/58/1129746158.db2.gz CBYZSVMIERTUGE-UHFFFAOYSA-N 0 1 284.403 3.578 20 0 CHADMN Cc1ccccc1C1(NCc2cccc3c2OCO3)CCC1 ZINC000651861458 1129750251 /nfs/dbraw/zinc/75/02/51/1129750251.db2.gz PAWGPPAUYLEPFP-UHFFFAOYSA-N 0 1 295.382 3.893 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CC[C@@](C)(CF)C1 ZINC001139005629 1129758063 /nfs/dbraw/zinc/75/80/63/1129758063.db2.gz GVCKFCJSMZLTAB-HNNXBMFYSA-N 0 1 285.790 3.920 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CC[C@](C)(CF)C1 ZINC001139005630 1129758546 /nfs/dbraw/zinc/75/85/46/1129758546.db2.gz GVCKFCJSMZLTAB-OAHLLOKOSA-N 0 1 285.790 3.920 20 0 CHADMN Cc1ncc(CN[C@@H](c2cccnc2)C2CCCCC2)o1 ZINC000652208547 1129760105 /nfs/dbraw/zinc/76/01/05/1129760105.db2.gz HUVXXCVTRXICIV-QGZVFWFLSA-N 0 1 285.391 3.789 20 0 CHADMN CC(C)Cc1ccc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)cc1 ZINC001169890638 1129761682 /nfs/dbraw/zinc/76/16/82/1129761682.db2.gz PVGCXAWIOQGDFR-KXBFYZLASA-N 0 1 287.447 3.884 20 0 CHADMN CC(C)CC[N@@H+](C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000652388589 1129764023 /nfs/dbraw/zinc/76/40/23/1129764023.db2.gz GAIROFGUDZTWOJ-UHFFFAOYSA-N 0 1 269.772 3.516 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C/C=C\c1ccc(Cl)cc1 ZINC000652485060 1129765967 /nfs/dbraw/zinc/76/59/67/1129765967.db2.gz PODGEISWINMRIZ-XVWMLYKFSA-N 0 1 295.810 3.784 20 0 CHADMN CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000652450954 1129765981 /nfs/dbraw/zinc/76/59/81/1129765981.db2.gz MDVWEIZBMMDLGJ-WFASDCNBSA-N 0 1 291.391 3.626 20 0 CHADMN CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000652450938 1129766074 /nfs/dbraw/zinc/76/60/74/1129766074.db2.gz LXFLTZMAXSPJQQ-TZMCWYRMSA-N 0 1 291.391 3.626 20 0 CHADMN C[C@@H](C1CCCCC1)N(C)Cc1cnn(-c2ccccc2)n1 ZINC001169933118 1129766172 /nfs/dbraw/zinc/76/61/72/1129766172.db2.gz HKVVZHOQNZJSBP-HNNXBMFYSA-N 0 1 298.434 3.668 20 0 CHADMN CCOc1ccc(Cl)cc1CN(C)CCSC ZINC001139011856 1129766601 /nfs/dbraw/zinc/76/66/01/1129766601.db2.gz VWOMEEQUIUZJOP-UHFFFAOYSA-N 0 1 273.829 3.534 20 0 CHADMN Cc1cccc(CN2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1F ZINC001137672429 1131397113 /nfs/dbraw/zinc/39/71/13/1131397113.db2.gz GJSVREUIZXDMMM-VXGBXAGGSA-N 0 1 293.279 3.714 20 0 CHADMN Clc1cc2nc[nH]c2nc1NC/C=C/c1ccccc1 ZINC001156468058 1129787884 /nfs/dbraw/zinc/78/78/84/1129787884.db2.gz PTAHHEPABRPXCY-QPJJXVBHSA-N 0 1 284.750 3.737 20 0 CHADMN CSc1nc2ccsc2c(-c2cccc(F)c2O)n1 ZINC001242349204 1129788088 /nfs/dbraw/zinc/78/80/88/1129788088.db2.gz DVKXAQCHHPALRU-UHFFFAOYSA-N 0 1 292.360 3.925 20 0 CHADMN Cc1cc(CNc2ccc(CN(C)C)c(F)c2)c(C)o1 ZINC000767390139 1129792152 /nfs/dbraw/zinc/79/21/52/1129792152.db2.gz HPRPHVVMESGHIH-UHFFFAOYSA-N 0 1 276.355 3.709 20 0 CHADMN CC(=O)c1cc(CN2CC[C@H]([C@H]3CCCC3(C)C)C2)on1 ZINC000653777720 1129795547 /nfs/dbraw/zinc/79/55/47/1129795547.db2.gz TWUFBKZARIXVJR-DZGCQCFKSA-N 0 1 290.407 3.525 20 0 CHADMN COC(=O)c1ccc(-c2cccc(Cl)c2O)c(F)c1 ZINC001242364376 1129796178 /nfs/dbraw/zinc/79/61/78/1129796178.db2.gz KCXNDNWRJZVMBT-UHFFFAOYSA-N 0 1 280.682 3.638 20 0 CHADMN CCCCCN[C@H](Cc1ccccc1)c1ncco1 ZINC000653913144 1129801266 /nfs/dbraw/zinc/80/12/66/1129801266.db2.gz YNYFFZHVHZTALY-OAHLLOKOSA-N 0 1 258.365 3.738 20 0 CHADMN CSC[C@@H]1CCCN1Cn1c2ccccc2oc1=S ZINC000767777155 1129813192 /nfs/dbraw/zinc/81/31/92/1129813192.db2.gz XXAHQQOUXWJNET-NSHDSACASA-N 0 1 294.445 3.749 20 0 CHADMN Cc1ccc(Cl)cc1-c1noc([C@H]2CCCCN2)n1 ZINC000822807834 1131399646 /nfs/dbraw/zinc/39/96/46/1131399646.db2.gz IFYMOTAKWRUCGX-GFCCVEGCSA-N 0 1 277.755 3.513 20 0 CHADMN CCC[C@@H](C)N(C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000654500839 1129827078 /nfs/dbraw/zinc/82/70/78/1129827078.db2.gz ZIPKXNXHSOILOF-SECBINFHSA-N 0 1 289.297 3.672 20 0 CHADMN CC(C)C(C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1)C(C)C ZINC000380391003 1129831539 /nfs/dbraw/zinc/83/15/39/1129831539.db2.gz YURLUTBXQSYVEU-AWEZNQCLSA-N 0 1 283.456 3.737 20 0 CHADMN c1csc([C@H](N[C@@H]2CCn3ccnc32)C2CCCC2)c1 ZINC000380861261 1129833094 /nfs/dbraw/zinc/83/30/94/1129833094.db2.gz FAYHVFKJAQAEFV-UKRRQHHQSA-N 0 1 287.432 3.911 20 0 CHADMN CC[C@H]1CCCCN1Cc1occc1Br ZINC000768138544 1129836628 /nfs/dbraw/zinc/83/66/28/1129836628.db2.gz OQIPAIHNNFXCAP-JTQLQIEISA-N 0 1 272.186 3.807 20 0 CHADMN C[C@@H](NCc1cccc(Cl)n1)c1ccsc1 ZINC000381511900 1129840604 /nfs/dbraw/zinc/84/06/04/1129840604.db2.gz RHPOODBGKOIBNW-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN CCn1cc(CN2CC=C(c3ccc(C)cc3)CC2)cn1 ZINC000768214387 1129844814 /nfs/dbraw/zinc/84/48/14/1129844814.db2.gz IBQWTWYITHHVKI-UHFFFAOYSA-N 0 1 281.403 3.501 20 0 CHADMN CCc1ccc(-c2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001239588043 1131401834 /nfs/dbraw/zinc/40/18/34/1131401834.db2.gz HHBSMCBNQUVZHQ-UHFFFAOYSA-N 0 1 280.415 3.668 20 0 CHADMN CCCCn1nc(C)c(CN(C)[C@H](C)CC)c1Cl ZINC000768337889 1129851781 /nfs/dbraw/zinc/85/17/81/1129851781.db2.gz ITIMLLSJRXOJTD-LLVKDONJSA-N 0 1 271.836 3.875 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1occc1Br ZINC000768316297 1129852213 /nfs/dbraw/zinc/85/22/13/1129852213.db2.gz CEGXWPRYICXEQU-NSHDSACASA-N 0 1 272.186 3.663 20 0 CHADMN NC1(c2noc(-c3ccc(C(F)F)c(F)c3)n2)CCCC1 ZINC000900006935 1129856773 /nfs/dbraw/zinc/85/67/73/1129856773.db2.gz XVXVCHYUVNTQPO-UHFFFAOYSA-N 0 1 297.280 3.541 20 0 CHADMN Cc1csc([C@H](C)NC[C@]2(C)CC2(Cl)Cl)n1 ZINC000828816165 1131402473 /nfs/dbraw/zinc/40/24/73/1131402473.db2.gz LGXPRTCTEIGQHK-WPRPVWTQSA-N 0 1 279.236 3.686 20 0 CHADMN Cc1cc(Cl)nc(CNCc2ccc3cnccc3c2)c1 ZINC000800286376 1129864110 /nfs/dbraw/zinc/86/41/10/1129864110.db2.gz YYJDZFMWWLGXNW-UHFFFAOYSA-N 0 1 297.789 3.881 20 0 CHADMN Cc1cc(Cl)nc(CNCc2cnc3ccccc3c2)c1 ZINC000800282604 1129864468 /nfs/dbraw/zinc/86/44/68/1129864468.db2.gz JAHKUEGQPFXKKW-UHFFFAOYSA-N 0 1 297.789 3.881 20 0 CHADMN CSc1ccccc1[C@H](C)OC(=O)[C@H](C(C)C)N(C)C ZINC000800414054 1129871691 /nfs/dbraw/zinc/87/16/91/1129871691.db2.gz RYWZQMNWPSHHSN-WFASDCNBSA-N 0 1 295.448 3.599 20 0 CHADMN CC[C@H]1CCCN(Cc2cnc(Cl)c(C)c2)C1 ZINC000768845191 1129876616 /nfs/dbraw/zinc/87/66/16/1129876616.db2.gz FRWOQQOFTNNDQZ-LBPRGKRZSA-N 0 1 252.789 3.665 20 0 CHADMN Cc1cc(C)c(NC(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)c(C)c1 ZINC000900304708 1129877061 /nfs/dbraw/zinc/87/70/61/1129877061.db2.gz DSMNXRBEMGCAMY-MEDUHNTESA-N 0 1 297.402 3.640 20 0 CHADMN CC(C)N(Cc1cn([C@@H](C)c2ccccc2)nn1)C(C)C ZINC000900506882 1129884829 /nfs/dbraw/zinc/88/48/29/1129884829.db2.gz FXOZYWJIUDICSD-HNNXBMFYSA-N 0 1 286.423 3.506 20 0 CHADMN CC(C)N(Cc1cn([C@@H]2CCC(C)(C)C2)nn1)C(C)C ZINC000900488756 1129885272 /nfs/dbraw/zinc/88/52/72/1129885272.db2.gz XKJLAMXYZUBDRQ-OAHLLOKOSA-N 0 1 278.444 3.648 20 0 CHADMN Cc1cc(CN(C)C[C@@H]2OCCc3ccccc32)c(C)o1 ZINC000769022273 1129886774 /nfs/dbraw/zinc/88/67/74/1129886774.db2.gz KBBGIHOLOBMCQG-SFHVURJKSA-N 0 1 285.387 3.642 20 0 CHADMN C[C@@H]1CCCN(Cc2occc2Br)CC1 ZINC000769148922 1129891212 /nfs/dbraw/zinc/89/12/12/1129891212.db2.gz UVTHAUBHNGXHAL-SNVBAGLBSA-N 0 1 272.186 3.664 20 0 CHADMN Cc1cc(C)cc([C@H](O)CNCc2ccsc2Cl)c1 ZINC000800896589 1129897456 /nfs/dbraw/zinc/89/74/56/1129897456.db2.gz NKXRHCWUZJUJFE-CQSZACIVSA-N 0 1 295.835 3.842 20 0 CHADMN CCN(Cc1ccoc1)Cc1cncc2ccccc21 ZINC000769298918 1129900440 /nfs/dbraw/zinc/90/04/40/1129900440.db2.gz LKTWYRCROASJHY-UHFFFAOYSA-N 0 1 266.344 3.850 20 0 CHADMN C[C@@H]1CCN(Cc2occc2Br)C[C@H]1C ZINC000769452411 1129910975 /nfs/dbraw/zinc/91/09/75/1129910975.db2.gz QIYXDNPYKVWYIT-NXEZZACHSA-N 0 1 272.186 3.520 20 0 CHADMN Cc1cscc1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000901169045 1129911178 /nfs/dbraw/zinc/91/11/78/1129911178.db2.gz NJSFEFWCLBOPRD-UHFFFAOYSA-N 0 1 299.399 3.913 20 0 CHADMN C[C@H]1c2ccccc2CN1Cc1ccc2c(c1)COC2 ZINC000769450543 1129911224 /nfs/dbraw/zinc/91/12/24/1129911224.db2.gz DYERWWYJDYYYSM-ZDUSSCGKSA-N 0 1 265.356 3.794 20 0 CHADMN Brc1ccoc1CN1C2CCCC1CCC2 ZINC000769497791 1129914187 /nfs/dbraw/zinc/91/41/87/1129914187.db2.gz BFVUVVWOTZPRPX-UHFFFAOYSA-N 0 1 284.197 3.949 20 0 CHADMN Cc1cc(CN2CC[C@@H]2Cc2ccccc2)cnc1Cl ZINC000769505959 1129914711 /nfs/dbraw/zinc/91/47/11/1129914711.db2.gz LPEPTRAFAUXGEW-MRXNPFEDSA-N 0 1 286.806 3.860 20 0 CHADMN Cc1ccc(F)c(NC(=O)c2c(O)cccc2Cl)c1 ZINC000769631499 1129918402 /nfs/dbraw/zinc/91/84/02/1129918402.db2.gz VZRKALXTSMPTLS-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN Cc1nnsc1[C@@H](C)Sc1nc2ccc(C)cc2[nH]1 ZINC000901377687 1129918861 /nfs/dbraw/zinc/91/88/61/1129918861.db2.gz SGHDTCZOHUTZCC-SECBINFHSA-N 0 1 290.417 3.885 20 0 CHADMN O=C(Nc1cccc2cccnc21)c1c(O)cccc1Cl ZINC000769613487 1129919896 /nfs/dbraw/zinc/91/98/96/1129919896.db2.gz DLEYRUAMORAPRT-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN CCCOc1ccc(-c2cc([C@@H](N)CC)on2)cc1OC ZINC000901389131 1129920022 /nfs/dbraw/zinc/92/00/22/1129920022.db2.gz JDPHKBRVOVSOCF-LBPRGKRZSA-N 0 1 290.363 3.549 20 0 CHADMN CC[C@@H](N)c1cc(-c2ccc(OC(C)C)c(OC)c2)no1 ZINC000901389027 1129920115 /nfs/dbraw/zinc/92/01/15/1129920115.db2.gz FRLBQKOIWOLQCB-GFCCVEGCSA-N 0 1 290.363 3.547 20 0 CHADMN CCc1ccccc1CC[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000769731376 1129920922 /nfs/dbraw/zinc/92/09/22/1129920922.db2.gz QIBXLXXWDWZXTB-UHFFFAOYSA-N 0 1 288.822 3.972 20 0 CHADMN C[C@@H]1C[C@H](CNc2ccc3cnccc3c2)C[C@H](C)O1 ZINC000901421331 1129923774 /nfs/dbraw/zinc/92/37/74/1129923774.db2.gz VYNYWHVZJWSNNC-WDNDVIMCSA-N 0 1 270.376 3.850 20 0 CHADMN CC(C)SCCN1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000801517261 1129923813 /nfs/dbraw/zinc/92/38/13/1129923813.db2.gz KWKUTICZZJFAOR-HLLBOEOZSA-N 0 1 293.476 3.979 20 0 CHADMN CCc1oc(C[N@H+]2CC[C@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000901418529 1129923854 /nfs/dbraw/zinc/92/38/54/1129923854.db2.gz IYFNPYBZPHNYEW-AWEZNQCLSA-N 0 1 299.370 3.530 20 0 CHADMN CCCC(N)=NOCC1CCC(C(F)(F)F)CC1 ZINC000769829209 1129928255 /nfs/dbraw/zinc/92/82/55/1129928255.db2.gz FGPHFCWUOJHXDC-UHFFFAOYSA-N 0 1 266.307 3.654 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1cccc(COC)c1 ZINC000769871745 1129930475 /nfs/dbraw/zinc/93/04/75/1129930475.db2.gz CKNJSQLLMIGVPV-LBPRGKRZSA-N 0 1 288.391 3.543 20 0 CHADMN F[C@]1(c2ccccc2)CCN(Cc2ccc3c(c2)COC3)C1 ZINC000801588465 1129930676 /nfs/dbraw/zinc/93/06/76/1129930676.db2.gz PKIJUHNCVHHNHM-LJQANCHMSA-N 0 1 297.373 3.788 20 0 CHADMN FC(F)(F)[C@H]1CCN(C/C=C\Cl)CC12CCC2 ZINC000801590768 1129931091 /nfs/dbraw/zinc/93/10/91/1129931091.db2.gz PWCKNSHZVJJNSP-RILPQGNRSA-N 0 1 267.722 3.793 20 0 CHADMN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1CCC(=O)C1CC1 ZINC000769955395 1129932121 /nfs/dbraw/zinc/93/21/21/1129932121.db2.gz WZDWGPJSDXGEDI-RYUDHWBXSA-N 0 1 275.367 3.503 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)C[C@H]1CC1(Cl)Cl ZINC000769936402 1129933052 /nfs/dbraw/zinc/93/30/52/1129933052.db2.gz FKLKDBAULVDIDM-NEPJUHHUSA-N 0 1 273.207 3.658 20 0 CHADMN COC(=O)/C(C)=C\CN(C)[C@H](C)c1cc2ccccc2o1 ZINC000746498900 1129933378 /nfs/dbraw/zinc/93/33/78/1129933378.db2.gz CRFXHQHKFURWDC-KIWPFMIBSA-N 0 1 287.359 3.545 20 0 CHADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC2CCC3(CCCCC3)CC2)C1 ZINC000901516778 1129933444 /nfs/dbraw/zinc/93/34/44/1129933444.db2.gz RBZARAGRNXQTLP-QGZVFWFLSA-N 0 1 293.451 3.924 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@@H](CO)c2ccsc2)c1 ZINC000769987280 1129934701 /nfs/dbraw/zinc/93/47/01/1129934701.db2.gz KWNPGRYYTBCRCY-WBMJQRKESA-N 0 1 291.416 3.531 20 0 CHADMN CCOc1cccc([C@H](C)N[C@@H](CO)c2ccsc2)c1 ZINC000769987273 1129934852 /nfs/dbraw/zinc/93/48/52/1129934852.db2.gz KWNPGRYYTBCRCY-LRDDRELGSA-N 0 1 291.416 3.531 20 0 CHADMN Cc1ccc([C@@H](C)C[N@@H+](CC(=O)[O-])Cc2ccccc2)cc1 ZINC000901568675 1129937065 /nfs/dbraw/zinc/93/70/65/1129937065.db2.gz CKDGFAPPYKFICN-INIZCTEOSA-N 0 1 297.398 3.685 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])C[C@H](CC(C)C)c1ccccc1 ZINC000901602419 1129938667 /nfs/dbraw/zinc/93/86/67/1129938667.db2.gz RLOBLNZYNWKIQS-INIZCTEOSA-N 0 1 277.408 3.613 20 0 CHADMN CC1=C[C@H](C)C[C@H](C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000901646774 1129940524 /nfs/dbraw/zinc/94/05/24/1129940524.db2.gz UUSJQAXWFWGBHG-JSGCOSHPSA-N 0 1 285.387 3.693 20 0 CHADMN Cc1cc2cc[nH]c2c(NCCC(=O)c2ccccc2)n1 ZINC001170012968 1129940610 /nfs/dbraw/zinc/94/06/10/1129940610.db2.gz ZYQSWVVUMGQRFZ-UHFFFAOYSA-N 0 1 279.343 3.556 20 0 CHADMN CC(C)c1ccc(CC[N@H+]2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC000901699918 1129945602 /nfs/dbraw/zinc/94/56/02/1129945602.db2.gz CZBQGEXEOZLMTR-SFHVURJKSA-N 0 1 289.419 3.539 20 0 CHADMN CC(C)[C@@H](C[N@H+]1CCC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000901700437 1129945652 /nfs/dbraw/zinc/94/56/52/1129945652.db2.gz JDHVCUGJATZXDO-AEFFLSMTSA-N 0 1 289.419 3.613 20 0 CHADMN Cc1ccc([C@H](C)NC(=O)c2cccc3nc(C)[nH]c32)s1 ZINC000801836847 1129949124 /nfs/dbraw/zinc/94/91/24/1129949124.db2.gz SQUKCXSKPOSVPI-JTQLQIEISA-N 0 1 299.399 3.732 20 0 CHADMN FC(F)Oc1ccc(NCc2ccc3nc[nH]c3c2)cc1 ZINC000770480179 1129949987 /nfs/dbraw/zinc/94/99/87/1129949987.db2.gz ISUGURZHKOUTLT-UHFFFAOYSA-N 0 1 289.285 3.776 20 0 CHADMN Fc1cccc2c1C[C@H]([N@H+]1CC[C@H](C(F)(F)F)C1)CC2 ZINC001170999789 1131409880 /nfs/dbraw/zinc/40/98/80/1131409880.db2.gz DCSXEXRMBFIOOB-NWDGAFQWSA-N 0 1 287.300 3.567 20 0 CHADMN CSc1ccc(C[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-])o1 ZINC000901837979 1129958486 /nfs/dbraw/zinc/95/84/86/1129958486.db2.gz FEKWJNSCCDJLCL-UHFFFAOYSA-N 0 1 299.436 3.570 20 0 CHADMN CC[C@@](C)(NCCSC(C)(C)C)c1nccs1 ZINC000801933446 1129961535 /nfs/dbraw/zinc/96/15/35/1129961535.db2.gz SEIXIWLCCGLOEQ-CYBMUJFWSA-N 0 1 272.483 3.890 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1CCSC[C@@H](C(=O)[O-])C1 ZINC000901890379 1129964835 /nfs/dbraw/zinc/96/48/35/1129964835.db2.gz HYISTFALYVSWSK-CABCVRRESA-N 0 1 299.480 3.509 20 0 CHADMN Cc1cc(C)c(/C=C/C[N@@H+](CCC(=O)[O-])C2CC2)c(C)c1 ZINC000901972905 1129969095 /nfs/dbraw/zinc/96/90/95/1129969095.db2.gz UXUAHSCVJCUWGO-SNAWJCMRSA-N 0 1 287.403 3.564 20 0 CHADMN CCCC1CCC(C[N@@H+](CCC(=O)[O-])C2CC2)CC1 ZINC000901972960 1129969133 /nfs/dbraw/zinc/96/91/33/1129969133.db2.gz VYLOIBZMXQPUGB-UHFFFAOYSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@H](C[N@@H+](Cc1ccc(-c2ccccc2)o1)C1CC1)C(=O)[O-] ZINC000901992902 1129969816 /nfs/dbraw/zinc/96/98/16/1129969816.db2.gz FWUBMAWQXQUKRR-ZDUSSCGKSA-N 0 1 299.370 3.632 20 0 CHADMN C[C@H]1CC[N@@H+](CCCC2CCCCC2)[C@H](C(=O)[O-])C1 ZINC000902017237 1129971845 /nfs/dbraw/zinc/97/18/45/1129971845.db2.gz ORMWOOSTMRLIOG-ZFWWWQNUSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@H](C[N@H+]1CCCCC[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000902039501 1129973251 /nfs/dbraw/zinc/97/32/51/1129973251.db2.gz WTLQCIZBTYEGGL-DOMZBBRYSA-N 0 1 295.810 3.773 20 0 CHADMN CCC[C@@H](C)C[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000902047707 1129974543 /nfs/dbraw/zinc/97/45/43/1129974543.db2.gz QWUVLGYLGFPMRI-KBMXLJTQSA-N 0 1 275.392 3.713 20 0 CHADMN CNc1ccccc1CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000902078674 1129978030 /nfs/dbraw/zinc/97/80/30/1129978030.db2.gz QCQGXBURNPTKBZ-WFASDCNBSA-N 0 1 270.376 3.735 20 0 CHADMN CCn1cnc(CN[C@H](c2ccccc2)C2CCCC2)c1 ZINC000902126163 1129982433 /nfs/dbraw/zinc/98/24/33/1129982433.db2.gz GFLHADMQVDZXSA-GOSISDBHSA-N 0 1 283.419 3.924 20 0 CHADMN CCn1cnc(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)c1 ZINC000902133715 1129983191 /nfs/dbraw/zinc/98/31/91/1129983191.db2.gz UHAUWQJEOPHDIJ-INIZCTEOSA-N 0 1 289.398 3.919 20 0 CHADMN CC(C)[C@@H]1CCCC[C@H]1NCc1nnc(C(C)(C)C)o1 ZINC000771790307 1129989720 /nfs/dbraw/zinc/98/97/20/1129989720.db2.gz ADAOSOUUGUGMDW-QWHCGFSZSA-N 0 1 279.428 3.672 20 0 CHADMN CCc1nc(CN(CC)c2ccc3ccccc3c2)n[nH]1 ZINC000771764256 1129990546 /nfs/dbraw/zinc/99/05/46/1129990546.db2.gz XQULAOSVJBGMNJ-UHFFFAOYSA-N 0 1 280.375 3.547 20 0 CHADMN CSc1cc(CNCc2cnc3ccccc3c2)ccn1 ZINC000771881187 1129992365 /nfs/dbraw/zinc/99/23/65/1129992365.db2.gz MFZOYCQUJDZBGS-UHFFFAOYSA-N 0 1 295.411 3.642 20 0 CHADMN CCCCn1nc(C)c(CN(CC)CCC)c1Cl ZINC000771934996 1129996920 /nfs/dbraw/zinc/99/69/20/1129996920.db2.gz GWGMBJJDMQYPJA-UHFFFAOYSA-N 0 1 271.836 3.877 20 0 CHADMN C[C@@H](NCc1cscc1Cl)[C@@H](O)c1cccc(F)c1 ZINC000771967923 1129999191 /nfs/dbraw/zinc/99/91/91/1129999191.db2.gz GJRILHRVSHHEEL-YMTOWFKASA-N 0 1 299.798 3.752 20 0 CHADMN Cc1cn[nH]c1CSCc1noc(C2CCCCC2)n1 ZINC000902343817 1130001715 /nfs/dbraw/zinc/00/17/15/1130001715.db2.gz CAINOSVZQPPNHC-UHFFFAOYSA-N 0 1 292.408 3.582 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000902373090 1130004043 /nfs/dbraw/zinc/00/40/43/1130004043.db2.gz NDVWRZDBZUTRHR-HNNXBMFYSA-N 0 1 299.370 3.584 20 0 CHADMN Cc1cn[nH]c1CSCc1ccc(C(F)(F)F)cn1 ZINC000902383726 1130004834 /nfs/dbraw/zinc/00/48/34/1130004834.db2.gz ZGQYMBJISXSKQF-UHFFFAOYSA-N 0 1 287.310 3.565 20 0 CHADMN CNc1ccccc1CNCc1cccc(OC(C)(C)C)n1 ZINC000902443704 1130011928 /nfs/dbraw/zinc/01/19/28/1130011928.db2.gz LUIJBCYGYWLASK-UHFFFAOYSA-N 0 1 299.418 3.590 20 0 CHADMN Fc1cc(-c2ccncc2)cc(F)c1CN1CCCC1 ZINC001239612654 1130011889 /nfs/dbraw/zinc/01/18/89/1130011889.db2.gz VLBGMLDFUVBWTC-UHFFFAOYSA-N 0 1 274.314 3.623 20 0 CHADMN Cc1cnc(CN2CCC(c3ccc(F)cc3)CC2)s1 ZINC000772204296 1130011838 /nfs/dbraw/zinc/01/18/38/1130011838.db2.gz NLCYNXPIZQXDLP-UHFFFAOYSA-N 0 1 290.407 3.970 20 0 CHADMN COc1ccc(-c2ccc(C3=NCCC3)cc2)cc1OC ZINC001239616223 1130013450 /nfs/dbraw/zinc/01/34/50/1130013450.db2.gz PUYNDBJWALRHPJ-UHFFFAOYSA-N 0 1 281.355 3.954 20 0 CHADMN CCc1oc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC000902511266 1130018030 /nfs/dbraw/zinc/01/80/30/1130018030.db2.gz ISJIZAKKWHFDNE-SMDDNHRTSA-N 0 1 279.380 3.551 20 0 CHADMN CCc1oc(C[N@@H+](C)[C@H](C)c2cccs2)cc1C(=O)[O-] ZINC000902512509 1130018105 /nfs/dbraw/zinc/01/81/05/1130018105.db2.gz UTKLHIVEMJQVBC-SNVBAGLBSA-N 0 1 293.388 3.795 20 0 CHADMN CCCCC[N@@H+](Cc1ccc(/C=C/C(=O)[O-])o1)C(C)C ZINC000902511616 1130018696 /nfs/dbraw/zinc/01/86/96/1130018696.db2.gz MWQOJEXGWNUJNQ-MDZDMXLPSA-N 0 1 279.380 3.778 20 0 CHADMN CCNc1ccccc1CNCc1cc(C)cc(Cl)n1 ZINC000902536978 1130020931 /nfs/dbraw/zinc/02/09/31/1130020931.db2.gz MBZKDPCSYZXXQJ-UHFFFAOYSA-N 0 1 289.810 3.765 20 0 CHADMN CC1CN(Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000802651214 1130026445 /nfs/dbraw/zinc/02/64/45/1130026445.db2.gz JWNYFCSQYOXXHB-UHFFFAOYSA-N 0 1 261.312 3.750 20 0 CHADMN CCC[C@@H](CN1CCO[C@@H](C(F)F)C1)c1ccccc1 ZINC000802654098 1130026937 /nfs/dbraw/zinc/02/69/37/1130026937.db2.gz VMYFBDDOJLFGAA-LSDHHAIUSA-N 0 1 283.362 3.536 20 0 CHADMN COc1cc(OC)c(-c2cc3nc[nH]c3cc2C)c(OC)c1 ZINC001239648216 1130030823 /nfs/dbraw/zinc/03/08/23/1130030823.db2.gz UKNCPUDNZZUFEO-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cc(F)cc(F)c1 ZINC001239656297 1130035560 /nfs/dbraw/zinc/03/55/60/1130035560.db2.gz CQUFUJXFZVMDJE-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cncc(F)c2)cc1C ZINC000902666236 1130036035 /nfs/dbraw/zinc/03/60/35/1130036035.db2.gz NHVHYMBEZBFVPJ-OLZOCXBDSA-N 0 1 288.366 3.950 20 0 CHADMN C[C@H](NCc1cnc(-c2ccco2)s1)c1ccc[nH]1 ZINC000785510105 1130038583 /nfs/dbraw/zinc/03/85/83/1130038583.db2.gz BZOQPPYYABNWRP-JTQLQIEISA-N 0 1 273.361 3.582 20 0 CHADMN COc1ccc(C(C)C)cc1-c1cc2[nH]nnc2cc1F ZINC001239659862 1130038624 /nfs/dbraw/zinc/03/86/24/1130038624.db2.gz OFHCQOJSCWFFNS-UHFFFAOYSA-N 0 1 285.322 3.896 20 0 CHADMN COc1cccc(OC)c1-c1cc2nc[nH]c2cc1C ZINC001239672064 1130044410 /nfs/dbraw/zinc/04/44/10/1130044410.db2.gz RNCAIJRFYWOLDK-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN C[C@H](NCc1ccccc1)c1ccc(C(F)(F)F)cn1 ZINC000902724222 1130044844 /nfs/dbraw/zinc/04/48/44/1130044844.db2.gz ZGNNQEUTKSXQPU-NSHDSACASA-N 0 1 280.293 3.951 20 0 CHADMN CN(C)Cc1cc(-c2cccc(F)c2F)ccc1F ZINC001239707002 1130064001 /nfs/dbraw/zinc/06/40/01/1130064001.db2.gz GEKYTHWWHSPJOB-UHFFFAOYSA-N 0 1 265.278 3.833 20 0 CHADMN CCCN(Cc1ccccc1)Cc1ccc(Cl)nn1 ZINC000384358977 1130066579 /nfs/dbraw/zinc/06/65/79/1130066579.db2.gz SZWVWBLSTCEQKY-UHFFFAOYSA-N 0 1 275.783 3.542 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)OCc1cccc(C)c1 ZINC000786342638 1130087931 /nfs/dbraw/zinc/08/79/31/1130087931.db2.gz HOHKDJAYJGFQOC-UHFFFAOYSA-N 0 1 272.348 3.507 20 0 CHADMN COc1cccc(-c2ccc3nc[nH]c3c2C)c1F ZINC001239750064 1130090486 /nfs/dbraw/zinc/09/04/86/1130090486.db2.gz RLCHPFKDLBLWNB-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN C[C@H](N[C@H]1CC(C)(C)CCc2ccccc21)c1cn(C)nn1 ZINC000902980746 1130095156 /nfs/dbraw/zinc/09/51/56/1130095156.db2.gz BXPSTOQTFUBRDK-BBRMVZONSA-N 0 1 298.434 3.570 20 0 CHADMN CC(=O)Nc1ccccc1-c1ccc(F)c(CN(C)C)c1 ZINC001239781751 1130105987 /nfs/dbraw/zinc/10/59/87/1130105987.db2.gz FJEZUYZKAXSAJZ-UHFFFAOYSA-N 0 1 286.350 3.513 20 0 CHADMN CCN(C)c1ccccc1CN[C@@H](c1ccccn1)C1CC1 ZINC000903094419 1130111207 /nfs/dbraw/zinc/11/12/07/1130111207.db2.gz YXXBFWYFFNSPDM-LJQANCHMSA-N 0 1 295.430 3.779 20 0 CHADMN C[C@@H](OC(=O)[C@H]1CCCN1C1CCCC1)c1ccccc1 ZINC000786882300 1130120976 /nfs/dbraw/zinc/12/09/76/1130120976.db2.gz NTQBVVRGJSBJBF-RHSMWYFYSA-N 0 1 287.403 3.698 20 0 CHADMN COc1cccc(-c2cccc(CN(C)C)c2F)c1OC ZINC001239819739 1130122919 /nfs/dbraw/zinc/12/29/19/1130122919.db2.gz MYHHHSFIQHHLEH-UHFFFAOYSA-N 0 1 289.350 3.572 20 0 CHADMN COc1ccc(-c2ccc3nc(C)[nH]c3c2)c(C)c1 ZINC001239826032 1130127316 /nfs/dbraw/zinc/12/73/16/1130127316.db2.gz JKQNZNCKGPRSCY-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN Cc1ncc([C@@H](C)NCc2c[nH]c(=O)c3ccccc23)s1 ZINC000903235943 1130133781 /nfs/dbraw/zinc/13/37/81/1130133781.db2.gz QRRMOIPRMCAUHI-SNVBAGLBSA-N 0 1 299.399 3.556 20 0 CHADMN C[C@@H](CN(C)CCF)Oc1ccc(Cl)c(Cl)c1 ZINC000787342750 1130148140 /nfs/dbraw/zinc/14/81/40/1130148140.db2.gz ODNNENIHWDGCMI-VIFPVBQESA-N 0 1 280.170 3.662 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2cncs2)cs1 ZINC000903308723 1130150128 /nfs/dbraw/zinc/15/01/28/1130150128.db2.gz BKEXEJPRAIAISP-ZJUUUORDSA-N 0 1 252.408 3.925 20 0 CHADMN Cc1c([C@H](C)N[C@H](C)c2cncs2)cnn1C(C)C ZINC000903309633 1130150890 /nfs/dbraw/zinc/15/08/90/1130150890.db2.gz FVPUUHPREVXUEZ-WDEREUQCSA-N 0 1 278.425 3.641 20 0 CHADMN CSc1cncc(-c2cc(F)c3c(c2)CN(C)CC3)c1 ZINC001242952046 1130157404 /nfs/dbraw/zinc/15/74/04/1130157404.db2.gz NQNMKSSBSYSJPV-UHFFFAOYSA-N 0 1 288.391 3.598 20 0 CHADMN C[C@@H]1c2ccc(Cl)n2CCN1CCc1ccccc1 ZINC000787655773 1130157844 /nfs/dbraw/zinc/15/78/44/1130157844.db2.gz WNMLEDPPSPIYMW-CYBMUJFWSA-N 0 1 274.795 3.761 20 0 CHADMN Cc1c([C@@H](C)N[C@@H](c2ccccn2)C2CC2)cnn1C(C)C ZINC000903334447 1130159670 /nfs/dbraw/zinc/15/96/70/1130159670.db2.gz AAOMXERCNPGKQU-FZKQIMNGSA-N 0 1 298.434 3.969 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](c2ccccn2)C2CC2)c(C)n1 ZINC000903334586 1130160006 /nfs/dbraw/zinc/16/00/06/1130160006.db2.gz CTGHKDUXYYFBCI-RDTXWAMCSA-N 0 1 281.403 3.895 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@H](c1ccccn1)C1CC1 ZINC000903335445 1130160388 /nfs/dbraw/zinc/16/03/88/1130160388.db2.gz PGPDMRJRIBZWRY-ABAIWWIYSA-N 0 1 288.416 3.954 20 0 CHADMN C[C@@H](N[C@H](c1ccccn1)C1CC1)c1ccc2c(c1)OCO2 ZINC000903337786 1130161421 /nfs/dbraw/zinc/16/14/21/1130161421.db2.gz FJUUCVYMGQEKMQ-XIKOKIGWSA-N 0 1 296.370 3.612 20 0 CHADMN Cc1cncc([C@@H](C)N[C@H](c2ccccn2)C2CC2)c1 ZINC000903336474 1130161856 /nfs/dbraw/zinc/16/18/56/1130161856.db2.gz ZFHORJAGHYUWLY-DYVFJYSZSA-N 0 1 267.376 3.587 20 0 CHADMN C[C@H](N[C@@H](c1ccccn1)C1CC1)c1ccc(Cl)nc1 ZINC000903340065 1130162587 /nfs/dbraw/zinc/16/25/87/1130162587.db2.gz PEVYFFOZEDAHRK-MEDUHNTESA-N 0 1 287.794 3.932 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H](C)COCC1CCCCC1 ZINC000903353349 1130165453 /nfs/dbraw/zinc/16/54/53/1130165453.db2.gz BYFAJEOQFOHWMK-LSDHHAIUSA-N 0 1 293.455 3.539 20 0 CHADMN CN(C)c1cc(N[C@@H]2CCCc3cn[nH]c32)ccc1Cl ZINC000903354324 1130165501 /nfs/dbraw/zinc/16/55/01/1130165501.db2.gz MKLGBFWUCDVHFG-CYBMUJFWSA-N 0 1 290.798 3.619 20 0 CHADMN CC[C@H](N[C@@H](C)c1c[nH]nc1C)c1cc(F)ccc1OC ZINC000903371622 1130168206 /nfs/dbraw/zinc/16/82/06/1130168206.db2.gz TWQRGLWBLAVGHD-BONVTDFDSA-N 0 1 291.370 3.668 20 0 CHADMN CCc1ccc2ccccc2c1C[N@@H+]([C@H](C)C(=O)[O-])C1CC1 ZINC000903406008 1130171010 /nfs/dbraw/zinc/17/10/10/1130171010.db2.gz ZVVAAQVWJYQKOS-CYBMUJFWSA-N 0 1 297.398 3.840 20 0 CHADMN C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000903421944 1130174158 /nfs/dbraw/zinc/17/41/58/1130174158.db2.gz XZJNIKLOMOBQAS-HOCLYGCPSA-N 0 1 275.392 3.509 20 0 CHADMN COc1c(C)cnc(CNCc2coc3ccccc23)c1C ZINC000746728360 1130174507 /nfs/dbraw/zinc/17/45/07/1130174507.db2.gz MXSGDRZPCVABCC-UHFFFAOYSA-N 0 1 296.370 3.743 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cc(C)ccc1F ZINC001239965460 1130174986 /nfs/dbraw/zinc/17/49/86/1130174986.db2.gz VAFVGKKDFCKOKL-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN Clc1ccnc2c1CC[C@@H]2N[C@H](c1ccncc1)C1CC1 ZINC000903430597 1130176906 /nfs/dbraw/zinc/17/69/06/1130176906.db2.gz YPHMDMFCQDYFCF-HOTGVXAUSA-N 0 1 299.805 3.858 20 0 CHADMN C[C@H](N[C@H](c1ccncc1)C1CC1)c1ccncc1Cl ZINC000903430210 1130176953 /nfs/dbraw/zinc/17/69/53/1130176953.db2.gz VOLREYWCXAKWQU-ZBEGNZNMSA-N 0 1 287.794 3.932 20 0 CHADMN Cc1nc(C(C)C)sc1[C@H](C)NC/C=C\Cl ZINC000903443582 1130177217 /nfs/dbraw/zinc/17/72/17/1130177217.db2.gz IQEMGNOPYSVOPS-UDIARPCQSA-N 0 1 258.818 3.978 20 0 CHADMN CCC[C@H](N[C@@H]1COC[C@H]1C1CC1)c1ncccc1Cl ZINC000903441130 1130177277 /nfs/dbraw/zinc/17/72/77/1130177277.db2.gz XVHHQUALNGEQBW-AEGPPILISA-N 0 1 294.826 3.591 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn(C)cn1)c1cccc2ccccc21 ZINC000903458379 1130179229 /nfs/dbraw/zinc/17/92/29/1130179229.db2.gz XTPBWYKDQQKCPD-KGLIPLIRSA-N 0 1 279.387 3.985 20 0 CHADMN CC(C)[C@H](C(=O)OCc1csc2ccccc12)N(C)C ZINC000803492085 1130179340 /nfs/dbraw/zinc/17/93/40/1130179340.db2.gz BODWJPGKNUUWGC-OAHLLOKOSA-N 0 1 291.416 3.531 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc2ccccc21)c1cn(C)cn1 ZINC000903458380 1130179387 /nfs/dbraw/zinc/17/93/87/1130179387.db2.gz XTPBWYKDQQKCPD-ZIAGYGMSSA-N 0 1 279.387 3.985 20 0 CHADMN CC[N@@H+]1CC=C(c2cnc(-c3cnccc3C)c(C)c2)CC1 ZINC001239973794 1130179792 /nfs/dbraw/zinc/17/97/92/1130179792.db2.gz VOCXUOSBDRQDLX-UHFFFAOYSA-N 0 1 293.414 3.869 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](CC)Cc1ccccc1Cl ZINC000903596978 1130183283 /nfs/dbraw/zinc/18/32/83/1130183283.db2.gz YVOSJIAJGQWZRT-BXUZGUMPSA-N 0 1 283.799 3.661 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000903597534 1130183527 /nfs/dbraw/zinc/18/35/27/1130183527.db2.gz NVULCETVTGRVJK-RHSMWYFYSA-N 0 1 287.403 3.583 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)C1CCCCC1 ZINC000903606287 1130184894 /nfs/dbraw/zinc/18/48/94/1130184894.db2.gz IVDQBZXSBLYUOX-GZBFAFLISA-N 0 1 269.429 3.634 20 0 CHADMN CC(C)Cc1ccccc1C[N@@H+](CCC(=O)[O-])C(C)C ZINC000903603603 1130185035 /nfs/dbraw/zinc/18/50/35/1130185035.db2.gz XAPJAPBDIRTLOB-UHFFFAOYSA-N 0 1 277.408 3.570 20 0 CHADMN CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000903672326 1130188136 /nfs/dbraw/zinc/18/81/36/1130188136.db2.gz ARMQYDUSABOXJA-DGCLKSJQSA-N 0 1 281.421 3.847 20 0 CHADMN CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000903672325 1130188456 /nfs/dbraw/zinc/18/84/56/1130188456.db2.gz ARMQYDUSABOXJA-AAEUAGOBSA-N 0 1 281.421 3.847 20 0 CHADMN CCC[N@@H+](CCC1(C(=O)[O-])CCC1)CC1CCCCC1 ZINC000903696554 1130190674 /nfs/dbraw/zinc/19/06/74/1130190674.db2.gz JIGNAXRHAXZCON-UHFFFAOYSA-N 0 1 281.440 3.924 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1cscn1)[C@H](O)c1ccccc1 ZINC000788625154 1130199207 /nfs/dbraw/zinc/19/92/07/1130199207.db2.gz ZFOGRGKSQACMJR-VBNZEHGJSA-N 0 1 290.432 3.552 20 0 CHADMN Fc1cc2[nH]ccc2c(-c2cccc3cncn32)c1 ZINC001240035534 1130201519 /nfs/dbraw/zinc/20/15/19/1130201519.db2.gz AEMVKTSOXFOJSL-UHFFFAOYSA-N 0 1 251.264 3.622 20 0 CHADMN CC(C)CCC[C@@H](C)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC001170088401 1130204109 /nfs/dbraw/zinc/20/41/09/1130204109.db2.gz RXHGSBHKESAPOI-MRXNPFEDSA-N 0 1 296.499 3.782 20 0 CHADMN C[N@H+](Cc1ccccc1-c1ccccc1)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903887817 1130208303 /nfs/dbraw/zinc/20/83/03/1130208303.db2.gz FUIXPBMNWFZIBN-FUHWJXTLSA-N 0 1 295.382 3.506 20 0 CHADMN Cc1cccc(C[N@H+](C)[C@H](CCc2ccccc2)C(=O)[O-])c1 ZINC000903886170 1130208444 /nfs/dbraw/zinc/20/84/44/1130208444.db2.gz BCGKMDYXUINBML-GOSISDBHSA-N 0 1 297.398 3.513 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000903893609 1130208629 /nfs/dbraw/zinc/20/86/29/1130208629.db2.gz HMTMNDWEMRJIOJ-CFVMTHIKSA-N 0 1 293.794 3.588 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1cccc(C(=O)NC(C)C)c1 ZINC001240080774 1130208983 /nfs/dbraw/zinc/20/89/83/1130208983.db2.gz LWGWEVZYDZXYRB-UHFFFAOYSA-N 0 1 293.370 3.677 20 0 CHADMN CCCC[N@H+](Cc1c(C)oc(C)c1C)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903913896 1130210712 /nfs/dbraw/zinc/21/07/12/1130210712.db2.gz BYCWQCODJAEKEC-LSDHHAIUSA-N 0 1 293.407 3.528 20 0 CHADMN Cc1ccc(C[N@@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]2C)c(C)c1 ZINC000903950598 1130211149 /nfs/dbraw/zinc/21/11/49/1130211149.db2.gz RCDFLLBOPQQBAK-HWMZRRJGSA-N 0 1 289.419 3.623 20 0 CHADMN Cc1ccc(C[N@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)cc1C(=O)[O-] ZINC000903934822 1130211333 /nfs/dbraw/zinc/21/13/33/1130211333.db2.gz RKIKBRZWNJQUNF-SJLPKXTDSA-N 0 1 299.414 3.704 20 0 CHADMN CC1(C)C[C@H](c2ccccc2)C[N@H+]1Cc1occc1C(=O)[O-] ZINC000903934879 1130211861 /nfs/dbraw/zinc/21/18/61/1130211861.db2.gz SISMVTUEQLFGLW-AWEZNQCLSA-N 0 1 299.370 3.746 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CC2CCC3(CC3)CC2)[C@H](C)[C@H]1C(=O)[O-] ZINC000903952963 1130213350 /nfs/dbraw/zinc/21/33/50/1130213350.db2.gz YLAUGVGZDVQQTK-CTASWTNQSA-N 0 1 293.451 3.776 20 0 CHADMN CC(C)C[C@H]1CCCN1Cc1cnc(Cl)s1 ZINC000396786888 1130215863 /nfs/dbraw/zinc/21/58/63/1130215863.db2.gz UGNDZOCRYZWZPX-SNVBAGLBSA-N 0 1 258.818 3.807 20 0 CHADMN CCCn1cc(-c2ccc3[nH]c(C(F)(F)F)nc3c2)cn1 ZINC001240131062 1130219707 /nfs/dbraw/zinc/21/97/07/1130219707.db2.gz JCXPFBPPUNNRTN-UHFFFAOYSA-N 0 1 294.280 3.855 20 0 CHADMN CN(C)Cc1cccc(-c2cccc(-n3cccn3)c2)c1F ZINC001240250086 1130247367 /nfs/dbraw/zinc/24/73/67/1130247367.db2.gz VILXVRINIVNJBF-UHFFFAOYSA-N 0 1 295.361 3.740 20 0 CHADMN Clc1ccc2nc(SCc3cscn3)[nH]c2c1 ZINC000748803277 1130249654 /nfs/dbraw/zinc/24/96/54/1130249654.db2.gz VHLKBFZOVODVOI-UHFFFAOYSA-N 0 1 281.793 3.965 20 0 CHADMN CC(C)=C(C)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000749051506 1130262588 /nfs/dbraw/zinc/26/25/88/1130262588.db2.gz YDTGIWVKXOWVNM-UHFFFAOYSA-N 0 1 297.280 3.877 20 0 CHADMN COc1cccc([C@@H](C)NCc2c(C)cccc2F)c1 ZINC000749132623 1130267816 /nfs/dbraw/zinc/26/78/16/1130267816.db2.gz QVAHMTNJIOTPKP-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Cl)ccc2Cl)[C@H]1CO ZINC000676766968 1130270887 /nfs/dbraw/zinc/27/08/87/1130270887.db2.gz VWNPHWHWWKPJBV-YGRLFVJLSA-N 0 1 288.218 3.586 20 0 CHADMN COc1ccc(Cl)c(CN2CC(c3ccccc3)C2)c1 ZINC001137265115 1130271719 /nfs/dbraw/zinc/27/17/19/1130271719.db2.gz OJMFIADWNIJBLS-UHFFFAOYSA-N 0 1 287.790 3.948 20 0 CHADMN Cc1nc([C@@H](C)NCCOc2ccc(F)cc2)c(C)s1 ZINC000676839992 1130273102 /nfs/dbraw/zinc/27/31/02/1130273102.db2.gz URTHFSOOTDXLGR-SNVBAGLBSA-N 0 1 294.395 3.629 20 0 CHADMN Cc1ccc(-c2noc(CN3CCC[C@@H](C4CC4)C3)n2)cc1 ZINC000677046956 1130284541 /nfs/dbraw/zinc/28/45/41/1130284541.db2.gz LGZOTURPTAHPHW-MRXNPFEDSA-N 0 1 297.402 3.667 20 0 CHADMN CC1(CC(=O)Nc2cnn(-c3ccncc3)c2)CCCCC1 ZINC000677052395 1130285731 /nfs/dbraw/zinc/28/57/31/1130285731.db2.gz DOSAYUUJYYFYKB-UHFFFAOYSA-N 0 1 298.390 3.566 20 0 CHADMN CCC(CC)n1ccc(CN2CCC[C@H](C3CC3)C2)n1 ZINC000677061854 1130286365 /nfs/dbraw/zinc/28/63/65/1130286365.db2.gz RDXPHSIVEXUCSX-HNNXBMFYSA-N 0 1 275.440 3.866 20 0 CHADMN C[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000826848567 1130289524 /nfs/dbraw/zinc/28/95/24/1130289524.db2.gz VWPPQKZGQUVDMO-PXAZEXFGSA-N 0 1 292.398 3.652 20 0 CHADMN FC(F)(F)[C@H]1CC[N@@H+](CCSCc2ccccc2)C1 ZINC000790315856 1130304952 /nfs/dbraw/zinc/30/49/52/1130304952.db2.gz XWFPOCQHYCGOSB-ZDUSSCGKSA-N 0 1 289.366 3.804 20 0 CHADMN COc1ccc(F)c(F)c1-c1cc2nc[nH]c2cc1F ZINC001240440103 1130314028 /nfs/dbraw/zinc/31/40/28/1130314028.db2.gz ZOUCYQMKXLEGJA-UHFFFAOYSA-N 0 1 278.233 3.656 20 0 CHADMN C[C@H](Cc1ccco1)NCc1ncc(C(C)(C)C)s1 ZINC000790464832 1130316623 /nfs/dbraw/zinc/31/66/23/1130316623.db2.gz ZCDRFLNULPVAQK-LLVKDONJSA-N 0 1 278.421 3.754 20 0 CHADMN CC(C)N1CC(Nc2nc(Cl)cc3cccc(F)c32)C1 ZINC001157532605 1130317839 /nfs/dbraw/zinc/31/78/39/1130317839.db2.gz JUNPTQHXYBEBSR-UHFFFAOYSA-N 0 1 293.773 3.532 20 0 CHADMN CC[C@@H](C)CC(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000790629648 1130322581 /nfs/dbraw/zinc/32/25/81/1130322581.db2.gz BUQHHHGZFMCXRL-ZJUUUORDSA-N 0 1 293.798 3.830 20 0 CHADMN CCc1ccc(CN(C)Cc2cnc3ccc(C)cn23)cc1 ZINC001137310153 1130322968 /nfs/dbraw/zinc/32/29/68/1130322968.db2.gz LGHXKLHYLKXDNI-UHFFFAOYSA-N 0 1 293.414 3.837 20 0 CHADMN Fc1ccc(CN2CCC3(CC3)CC2)c(Cl)c1 ZINC000677717649 1130324025 /nfs/dbraw/zinc/32/40/25/1130324025.db2.gz MSKBCDFRUHGUEP-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN Cc1ccnc(NC2CC(C(F)F)C2)c1C1CC1 ZINC000827011818 1130337178 /nfs/dbraw/zinc/33/71/78/1130337178.db2.gz PEJIGXZDCOMEIE-UHFFFAOYSA-N 0 1 252.308 3.723 20 0 CHADMN Cc1ccc([C@H](C)OC(=O)c2ccc3cncn3c2)cc1 ZINC000790863705 1130338865 /nfs/dbraw/zinc/33/88/65/1130338865.db2.gz GQHDFDYOOJMAPZ-ZDUSSCGKSA-N 0 1 280.327 3.561 20 0 CHADMN Cc1n[nH]cc1-c1cccc2c1CN(Cc1ccccc1)C2 ZINC001240521546 1130341454 /nfs/dbraw/zinc/34/14/54/1130341454.db2.gz SZNNTXZSXMHFAW-UHFFFAOYSA-N 0 1 289.382 3.901 20 0 CHADMN Cc1ccccc1-c1noc(CN2CC[C@@H](C)[C@H](C)C2)n1 ZINC000678046918 1130346690 /nfs/dbraw/zinc/34/66/90/1130346690.db2.gz ZNXWWSIMSPLVBO-TZMCWYRMSA-N 0 1 285.391 3.523 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C=CC1CCCCC1 ZINC000791052186 1130348042 /nfs/dbraw/zinc/34/80/42/1130348042.db2.gz TXXLYGMINNQBCX-BQYQJAHWSA-N 0 1 283.375 3.946 20 0 CHADMN CCC(C)=C(C)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000791057206 1130348593 /nfs/dbraw/zinc/34/85/93/1130348593.db2.gz ODCRYVXFQDZHBD-LUAWRHEFSA-N 0 1 257.337 3.556 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C=C1CCCCC1 ZINC000791051512 1130348868 /nfs/dbraw/zinc/34/88/68/1130348868.db2.gz JUUFQOPPKZPJMQ-UHFFFAOYSA-N 0 1 269.348 3.700 20 0 CHADMN C[C@@H](OC(=O)c1c(F)cc(O)cc1F)c1ccccc1 ZINC000746984752 1130352774 /nfs/dbraw/zinc/35/27/74/1130352774.db2.gz GZKBZJQYNOAICJ-SECBINFHSA-N 0 1 278.254 3.588 20 0 CHADMN CCC[C@H](N[C@H](C)c1ccncc1)c1ccccn1 ZINC000678143557 1130360096 /nfs/dbraw/zinc/36/00/96/1130360096.db2.gz MXGRRYGSCMANSG-CJNGLKHVSA-N 0 1 255.365 3.669 20 0 CHADMN CCSCSc1n[nH]c(CCC2CCCC2)n1 ZINC000791438015 1130373223 /nfs/dbraw/zinc/37/32/23/1130373223.db2.gz PJKCOUKOJASUDO-UHFFFAOYSA-N 0 1 271.455 3.730 20 0 CHADMN CCSCSc1nc(CCC2CCCC2)n[nH]1 ZINC000791438015 1130373229 /nfs/dbraw/zinc/37/32/29/1130373229.db2.gz PJKCOUKOJASUDO-UHFFFAOYSA-N 0 1 271.455 3.730 20 0 CHADMN Oc1ccc2c(c1)CCN(Cc1cscc1Cl)CC2 ZINC000678221687 1130373980 /nfs/dbraw/zinc/37/39/80/1130373980.db2.gz YJBDLHGRUMOKTG-UHFFFAOYSA-N 0 1 293.819 3.708 20 0 CHADMN CCc1noc(CN(C)[C@@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000678235734 1130376026 /nfs/dbraw/zinc/37/60/26/1130376026.db2.gz OJHVFKXGEHKPIT-HZPDHXFCSA-N 0 1 299.418 3.790 20 0 CHADMN Cc1cc(F)cc(-c2nc(C(C)(C)C)nc3nc[nH]c32)c1 ZINC001240592894 1130377140 /nfs/dbraw/zinc/37/71/40/1130377140.db2.gz ADUKXGACVDZMLR-UHFFFAOYSA-N 0 1 284.338 3.717 20 0 CHADMN Cc1cc(F)cc(-c2cc(F)c3c(c2)CN(C)CC3)c1 ZINC001240596419 1130380079 /nfs/dbraw/zinc/38/00/79/1130380079.db2.gz AGOXHQFIUPSSSJ-UHFFFAOYSA-N 0 1 273.326 3.928 20 0 CHADMN c1coc([C@H]2COCCN2CC2CCCCCC2)c1 ZINC000678262839 1130382053 /nfs/dbraw/zinc/38/20/53/1130382053.db2.gz BXXGICPNXIARFZ-OAHLLOKOSA-N 0 1 263.381 3.623 20 0 CHADMN CCc1ccc([C@H]2C[C@@H](C)CCN2Cc2cn[nH]c2)o1 ZINC000678299481 1130396652 /nfs/dbraw/zinc/39/66/52/1130396652.db2.gz YXFZTVRCIGYIDT-SWLSCSKDSA-N 0 1 273.380 3.538 20 0 CHADMN Cc1nn(C)cc1[C@H]1CCCN1Cc1cc(C)ccc1F ZINC000678338076 1130401718 /nfs/dbraw/zinc/40/17/18/1130401718.db2.gz IYIRHXCMPIVJRU-QGZVFWFLSA-N 0 1 287.382 3.513 20 0 CHADMN Cc1ccc(F)c(CN[C@@H](C)c2cnccc2C)c1 ZINC000678362153 1130407440 /nfs/dbraw/zinc/40/74/40/1130407440.db2.gz SGRTWZSTFFNPTH-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN COc1ccc2oc(CN[C@H](C)c3cnccc3C)cc2c1 ZINC000678362402 1130409552 /nfs/dbraw/zinc/40/95/52/1130409552.db2.gz WAUBTYKAFSNTDB-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@H](C)c1ccc(C)nc1C ZINC000678420694 1130414341 /nfs/dbraw/zinc/41/43/41/1130414341.db2.gz BHNPPGDZMORIHN-CQSZACIVSA-N 0 1 299.418 3.570 20 0 CHADMN Oc1ccc(F)cc1-c1cccc(C2=NCCC2)c1 ZINC001240698379 1130424576 /nfs/dbraw/zinc/42/45/76/1130424576.db2.gz YKUACGRHMZUBDB-UHFFFAOYSA-N 0 1 255.292 3.781 20 0 CHADMN COc1ccc2c(c1)OCC[C@@H]2N[C@@H](C)c1cnccc1C ZINC000678545847 1130426509 /nfs/dbraw/zinc/42/65/09/1130426509.db2.gz QWOKLMHBHBJBRH-GUYCJALGSA-N 0 1 298.386 3.573 20 0 CHADMN CSc1cc(CN[C@@H](C)c2ccc(C)nc2C)ccn1 ZINC000678548270 1130427079 /nfs/dbraw/zinc/42/70/79/1130427079.db2.gz LXKZIGGABRBDSB-LBPRGKRZSA-N 0 1 287.432 3.666 20 0 CHADMN O=C(Nc1ccc(C2CC2)cc1)c1cccc2cn[nH]c21 ZINC000678573781 1130430363 /nfs/dbraw/zinc/43/03/63/1130430363.db2.gz YHKNZLBPHVXSTB-UHFFFAOYSA-N 0 1 277.327 3.693 20 0 CHADMN C[C@@H](NCCSc1ccc(F)cc1)c1cscn1 ZINC000678585920 1130431641 /nfs/dbraw/zinc/43/16/41/1130431641.db2.gz QGJAWAKPEKDIFD-SNVBAGLBSA-N 0 1 282.409 3.725 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H](C)Oc2ccccc2)c(C)s1 ZINC000678587724 1130432041 /nfs/dbraw/zinc/43/20/41/1130432041.db2.gz KWLAQTNIDOTFNL-VXGBXAGGSA-N 0 1 290.432 3.878 20 0 CHADMN COC[C@H](N[C@@H](C)c1ccc(C)nc1C)c1ccccc1 ZINC000678589392 1130433498 /nfs/dbraw/zinc/43/34/98/1130433498.db2.gz XACHSTHIKXMJGQ-YJBOKZPZSA-N 0 1 284.403 3.737 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H](C)c2c(C)noc2C)c(C)s1 ZINC000678603879 1130438160 /nfs/dbraw/zinc/43/81/60/1130438160.db2.gz NVHAZNQSOGHNTM-PSASIEDQSA-N 0 1 293.436 3.819 20 0 CHADMN COc1cc(F)cc(CN[C@@H](C)c2ccc(C)nc2C)c1 ZINC000678611734 1130442201 /nfs/dbraw/zinc/44/22/01/1130442201.db2.gz KANNWOKYAOVZFA-LBPRGKRZSA-N 0 1 288.366 3.697 20 0 CHADMN Fc1ccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c(F)c1 ZINC000678637442 1130443401 /nfs/dbraw/zinc/44/34/01/1130443401.db2.gz IBLURMYHQNNJGU-KBPBESRZSA-N 0 1 295.373 3.603 20 0 CHADMN Fc1ccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c(F)c1 ZINC000678637442 1130443405 /nfs/dbraw/zinc/44/34/05/1130443405.db2.gz IBLURMYHQNNJGU-KBPBESRZSA-N 0 1 295.373 3.603 20 0 CHADMN CCCCn1cc(CN[C@@H](C)c2cnc(C)s2)c(C)n1 ZINC000678696423 1130446370 /nfs/dbraw/zinc/44/63/70/1130446370.db2.gz AHXYWIHKRCYKAD-LBPRGKRZSA-N 0 1 292.452 3.607 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@@H](C)c1cnc(C)s1 ZINC000678698307 1130446895 /nfs/dbraw/zinc/44/68/95/1130446895.db2.gz OSZRNFJMOKDOMK-MNOVXSKESA-N 0 1 275.421 3.821 20 0 CHADMN CCc1cc(CN[C@H]2c3ccccc3CC[C@H]2C)on1 ZINC000678769537 1130451674 /nfs/dbraw/zinc/45/16/74/1130451674.db2.gz GTKYEBBAOFEBDP-SJKOYZFVSA-N 0 1 270.376 3.650 20 0 CHADMN COCOc1cc(C)ccc1-c1cc2nc[nH]c2cc1C ZINC001240747855 1130452286 /nfs/dbraw/zinc/45/22/86/1130452286.db2.gz RMOQVJVFVSACAG-UHFFFAOYSA-N 0 1 282.343 3.829 20 0 CHADMN Cc1ccc(CN(Cc2ccc3c(c2)ncn3C)C2CC2)o1 ZINC000678813985 1130459505 /nfs/dbraw/zinc/45/95/05/1130459505.db2.gz UPYIMKYUQGWRLF-UHFFFAOYSA-N 0 1 295.386 3.639 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(C(F)F)cc2)nc1 ZINC001240767406 1130462174 /nfs/dbraw/zinc/46/21/74/1130462174.db2.gz QCNVKZNHRGSSDS-UHFFFAOYSA-N 0 1 262.303 3.748 20 0 CHADMN CCc1noc(CN[C@@H](CCC(C)C)C(C)(C)C)n1 ZINC000678899470 1130466825 /nfs/dbraw/zinc/46/68/25/1130466825.db2.gz QOZGTHXLUTUHCK-LBPRGKRZSA-N 0 1 267.417 3.573 20 0 CHADMN CN(C)Cc1ccc(-c2ccc3c(c2)CCCO3)cc1F ZINC001240775868 1130467153 /nfs/dbraw/zinc/46/71/53/1130467153.db2.gz INNQUVKTYHCKIJ-UHFFFAOYSA-N 0 1 285.362 3.879 20 0 CHADMN C[C@H](Cc1ccccc1Cl)N1C[C@@H](F)C[C@H]1C ZINC001170265239 1130470026 /nfs/dbraw/zinc/47/00/26/1130470026.db2.gz GIXRMNOBQNCIFN-WZRBSPASSA-N 0 1 255.764 3.703 20 0 CHADMN Fc1ccc(NCc2[nH]nc3ccccc32)cc1Cl ZINC000678948975 1130477514 /nfs/dbraw/zinc/47/75/14/1130477514.db2.gz QQDXHHNDEUKEAW-UHFFFAOYSA-N 0 1 275.714 3.968 20 0 CHADMN C[C@H](Cc1ccccc1Cl)N1CCc2occc2C1 ZINC001170286613 1130479174 /nfs/dbraw/zinc/47/91/74/1130479174.db2.gz CWYSQLFQGMMBNF-GFCCVEGCSA-N 0 1 275.779 3.922 20 0 CHADMN CCC(O)(CC)CN(C)[C@@H](C)c1c(F)cccc1F ZINC000679021012 1130485377 /nfs/dbraw/zinc/48/53/77/1130485377.db2.gz GLDGYYIPIJYNCU-NSHDSACASA-N 0 1 271.351 3.509 20 0 CHADMN CC(C)Oc1cccc(-c2cccn3cncc23)c1F ZINC001243448818 1130488439 /nfs/dbraw/zinc/48/84/39/1130488439.db2.gz LKNAYQUPXWOMQJ-UHFFFAOYSA-N 0 1 270.307 3.928 20 0 CHADMN Cc1cc(NC(=O)[C@H](C)N(C)C)ccc1-c1ccccc1 ZINC000792836276 1130500827 /nfs/dbraw/zinc/50/08/27/1130500827.db2.gz NKGSWYAUAMTNEA-AWEZNQCLSA-N 0 1 282.387 3.551 20 0 CHADMN Cc1cc(N2CC[C@H](C)[C@@H](F)C2)c2cc(F)ccc2n1 ZINC000679190816 1130500897 /nfs/dbraw/zinc/50/08/97/1130500897.db2.gz MPZGZYYRWBWDPC-HZMBPMFUSA-N 0 1 276.330 3.867 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1cccc2cccnc21 ZINC001240894944 1130506319 /nfs/dbraw/zinc/50/63/19/1130506319.db2.gz GBCPGRNULQSMQL-UHFFFAOYSA-N 0 1 263.275 3.917 20 0 CHADMN CN(C)Cc1ccc(-c2ccc3ccccc3c2)nc1 ZINC001240908933 1130510803 /nfs/dbraw/zinc/51/08/03/1130510803.db2.gz KDWPDBHZWNADMA-UHFFFAOYSA-N 0 1 262.356 3.963 20 0 CHADMN CC(C)[C@H]1N(C[C@H](O)c2cc(F)ccc2F)CC12CCC2 ZINC000793004612 1130512457 /nfs/dbraw/zinc/51/24/57/1130512457.db2.gz NNKPCQNVSKOAPI-JKSUJKDBSA-N 0 1 295.373 3.509 20 0 CHADMN CCCN(Cc1ccc(CO)cc1)Cc1ccccc1F ZINC000679314093 1130512880 /nfs/dbraw/zinc/51/28/80/1130512880.db2.gz RFSAKVYXQNLMEE-UHFFFAOYSA-N 0 1 287.378 3.730 20 0 CHADMN CCCCOc1cc(CN2CC=CCC2)ccc1OC ZINC000679359614 1130520717 /nfs/dbraw/zinc/52/07/17/1130520717.db2.gz PGLKUQRDKWNIDP-UHFFFAOYSA-N 0 1 275.392 3.636 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(-c3ccccn3)c2)C[C@H]1F ZINC000679360624 1130522374 /nfs/dbraw/zinc/52/23/74/1130522374.db2.gz QOAROGSQYXBQCU-RHSMWYFYSA-N 0 1 284.378 3.929 20 0 CHADMN S=c1nc2[nH]cnc(-c3cccc4ncccc43)c-2s1 ZINC001240936661 1130523593 /nfs/dbraw/zinc/52/35/93/1130523593.db2.gz FYXHRBSPFVKBGU-UHFFFAOYSA-N 0 1 296.380 3.590 20 0 CHADMN Oc1ccc(CN[C@@H](c2ccccc2)c2cccnc2)cc1 ZINC000679384019 1130524510 /nfs/dbraw/zinc/52/45/10/1130524510.db2.gz CJQWBEJQNNVLHP-IBGZPJMESA-N 0 1 290.366 3.666 20 0 CHADMN CO[C@@H]1CCC[C@@H](N[C@@H](CCc2ccccc2)C(F)F)C1 ZINC000679389419 1130525291 /nfs/dbraw/zinc/52/52/91/1130525291.db2.gz WLZZJYOYISCLOM-OAGGEKHMSA-N 0 1 297.389 3.800 20 0 CHADMN CC(C)N(Cc1ccc(O)cc1)Cc1ccccc1F ZINC000679396492 1130527322 /nfs/dbraw/zinc/52/73/22/1130527322.db2.gz SMQBWIZWKPGNBA-UHFFFAOYSA-N 0 1 273.351 3.942 20 0 CHADMN Cc1cc(Br)cc(CN2[C@H](C)C[C@@H]2C)c1 ZINC000793228036 1130531225 /nfs/dbraw/zinc/53/12/25/1130531225.db2.gz IJYYZMNJRHXKJF-PHIMTYICSA-N 0 1 268.198 3.740 20 0 CHADMN COCc1ccc(-c2ccc3nc(C)[nH]c3c2)cc1 ZINC001240952011 1130532336 /nfs/dbraw/zinc/53/23/36/1130532336.db2.gz BRCDPOQWJNXYLY-UHFFFAOYSA-N 0 1 252.317 3.685 20 0 CHADMN CN(CCOc1ccccc1)Cc1ccc(C(C)(C)C)[nH]1 ZINC001137376760 1130532710 /nfs/dbraw/zinc/53/27/10/1130532710.db2.gz PAIWIHQWGJMJHY-UHFFFAOYSA-N 0 1 286.419 3.823 20 0 CHADMN Cc1nc2c(s1)[C@@H](NCc1cccc(F)c1F)CCC2 ZINC000679485505 1130533302 /nfs/dbraw/zinc/53/33/02/1130533302.db2.gz MYUNSXJXCFIDDN-LBPRGKRZSA-N 0 1 294.370 3.897 20 0 CHADMN COc1cc(F)c(-c2cc3nc[nH]c3cc2C)cc1F ZINC001240956338 1130535068 /nfs/dbraw/zinc/53/50/68/1130535068.db2.gz VHNBVJFAVBBQOX-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccccc1F ZINC000679543369 1130538356 /nfs/dbraw/zinc/53/83/56/1130538356.db2.gz BSDLBEYZFFUKSK-PWSUYJOCSA-N 0 1 275.289 3.989 20 0 CHADMN CCc1ncc(CN2C[C@H](C(F)(F)F)CC[C@H]2C)s1 ZINC000679584138 1130544113 /nfs/dbraw/zinc/54/41/13/1130544113.db2.gz LQEMPVKVURUWOI-NXEZZACHSA-N 0 1 292.370 3.868 20 0 CHADMN FC1(F)CCN(Cc2cc3ccccc3o2)CC1 ZINC000793358674 1130544595 /nfs/dbraw/zinc/54/45/95/1130544595.db2.gz GBTXTCGLGXBEEG-UHFFFAOYSA-N 0 1 251.276 3.664 20 0 CHADMN FC(F)O[C@H]1CCCN(Cc2cc3ccccc3o2)C1 ZINC000679680711 1130550807 /nfs/dbraw/zinc/55/08/07/1130550807.db2.gz CTPUGBCWBMWWGJ-LBPRGKRZSA-N 0 1 281.302 3.636 20 0 CHADMN CCOc1ccc([C@H](C)N[C@H](C)c2cc(C)nn2C)cc1 ZINC000793521717 1130562034 /nfs/dbraw/zinc/56/20/34/1130562034.db2.gz XGFKUEJYVWCGRE-UONOGXRCSA-N 0 1 287.407 3.539 20 0 CHADMN Cc1cc(OCc2ccccc2)nc(-c2ccccc2O)n1 ZINC001241008678 1130563500 /nfs/dbraw/zinc/56/35/00/1130563500.db2.gz JKLVFKVREPACFH-UHFFFAOYSA-N 0 1 292.338 3.737 20 0 CHADMN Cc1ccc(CN(C)C[C@]2(C)CC2(Cl)Cl)o1 ZINC000827355193 1130570618 /nfs/dbraw/zinc/57/06/18/1130570618.db2.gz WWMHEITUJGULKB-NSHDSACASA-N 0 1 262.180 3.604 20 0 CHADMN Cc1cnc(=S)n(CN(C)[C@H]2CCCc3ccccc32)c1 ZINC000758289338 1130605279 /nfs/dbraw/zinc/60/52/79/1130605279.db2.gz JXQGNRHRBULWNZ-INIZCTEOSA-N 0 1 299.443 3.888 20 0 CHADMN Cc1cnc(=S)n(CN2CCCC3(CCCCC3)C2)c1 ZINC000758318780 1130606470 /nfs/dbraw/zinc/60/64/70/1130606470.db2.gz BRUXUHSMTBWUFW-UHFFFAOYSA-N 0 1 291.464 3.925 20 0 CHADMN Cc1cnc(=S)n(CN2CCC[C@@H](CC(C)C)C2)c1 ZINC000758352915 1130607414 /nfs/dbraw/zinc/60/74/14/1130607414.db2.gz YCTSSFZDNHVBAI-AWEZNQCLSA-N 0 1 279.453 3.637 20 0 CHADMN CC=C(CC)C(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000811422668 1130609160 /nfs/dbraw/zinc/60/91/60/1130609160.db2.gz RWTBXBIKZUXLAN-KMKOMSMNSA-N 0 1 296.330 3.513 20 0 CHADMN Fc1ccc(-c2ccn(C[N@H+]3CCC4(CCC4)C3)n2)cc1 ZINC000758393431 1130609579 /nfs/dbraw/zinc/60/95/79/1130609579.db2.gz IEOQNVOLTLRQLB-UHFFFAOYSA-N 0 1 285.366 3.523 20 0 CHADMN Cc1cc(CN2CC3(CCC3)[C@@H]2C2CC2)cc(Cl)n1 ZINC000811513938 1130620626 /nfs/dbraw/zinc/62/06/26/1130620626.db2.gz WTZLEMBEAZHUBW-HNNXBMFYSA-N 0 1 276.811 3.808 20 0 CHADMN Cc1cc(CNC(C)(C)c2ccc(C)nc2)c(C)o1 ZINC000759185590 1130641797 /nfs/dbraw/zinc/64/17/97/1130641797.db2.gz NFNJRVXHQDWFCQ-UHFFFAOYSA-N 0 1 258.365 3.625 20 0 CHADMN [O-]c1cccc2c(NCc3noc4ccccc34)cc[nH+]c12 ZINC000811839501 1130649406 /nfs/dbraw/zinc/64/94/06/1130649406.db2.gz HMHQGSFGRVLHIP-UHFFFAOYSA-N 0 1 291.310 3.694 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)N(CCF)CCOC ZINC000759330115 1130649460 /nfs/dbraw/zinc/64/94/60/1130649460.db2.gz DLXHVGFJEARNLI-CQSZACIVSA-N 0 1 273.779 3.709 20 0 CHADMN Cc1nc2ccccn2c1CN1CCc2c(C)cccc2C1 ZINC000759336779 1130652178 /nfs/dbraw/zinc/65/21/78/1130652178.db2.gz CQSQWUIOEASQER-UHFFFAOYSA-N 0 1 291.398 3.509 20 0 CHADMN CC(C)CC[C@H](C)N1CCN(C(=O)C2CCCCC2)CC1 ZINC001256373127 1130661209 /nfs/dbraw/zinc/66/12/09/1130661209.db2.gz PKTBULIUNYCXAQ-INIZCTEOSA-N 0 1 294.483 3.536 20 0 CHADMN Cc1cc(C)c(O)c(NC(=O)c2ccc(Cl)cc2O)c1 ZINC001170655667 1130662013 /nfs/dbraw/zinc/66/20/13/1130662013.db2.gz LCKLPSRMCQBOLH-UHFFFAOYSA-N 0 1 291.734 3.620 20 0 CHADMN CCc1nnc(CN[C@H](C)CC2CCCCC2)s1 ZINC000689753247 1130662222 /nfs/dbraw/zinc/66/22/22/1130662222.db2.gz JXNQRWZKEJSDPB-LLVKDONJSA-N 0 1 267.442 3.549 20 0 CHADMN CN(C)Cc1cccc(-c2ccc3occc3n2)c1F ZINC001244865157 1130667184 /nfs/dbraw/zinc/66/71/84/1130667184.db2.gz VYDAGUUHRNCMHU-UHFFFAOYSA-N 0 1 270.307 3.696 20 0 CHADMN CCC/C=C/C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000759749319 1130672392 /nfs/dbraw/zinc/67/23/92/1130672392.db2.gz MSFFLOARJIMUKP-SNAWJCMRSA-N 0 1 279.290 3.795 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)O[C@@H]1C=CCC1 ZINC000780588836 1130685285 /nfs/dbraw/zinc/68/52/85/1130685285.db2.gz YRYLOMDYEKLIBG-CQSZACIVSA-N 0 1 282.343 3.569 20 0 CHADMN CCOC(OCC)c1ccc(CN2C[C@@H](F)C[C@H]2C)cc1 ZINC001234868103 1130686129 /nfs/dbraw/zinc/68/61/29/1130686129.db2.gz BHVXMVOPMQZNQJ-CJNGLKHVSA-N 0 1 295.398 3.691 20 0 CHADMN CCOC(OCC)c1ccc(CN2CCC[C@@H](F)C2)cc1 ZINC001234882691 1130687426 /nfs/dbraw/zinc/68/74/26/1130687426.db2.gz BLVOWLWZXOIJCH-MRXNPFEDSA-N 0 1 295.398 3.692 20 0 CHADMN CC/C(C)=C(/C)C(=O)Nc1cccc(-c2cn[nH]c2)c1 ZINC000780996198 1130699461 /nfs/dbraw/zinc/69/94/61/1130699461.db2.gz AAHLRMIPZLVMKZ-QXMHVHEDSA-N 0 1 269.348 3.762 20 0 CHADMN CSCCN(C)Cc1nc(Cl)ccc1C(F)(F)F ZINC001235241865 1130725228 /nfs/dbraw/zinc/72/52/28/1130725228.db2.gz FKNZOGYLORNTMI-UHFFFAOYSA-N 0 1 298.761 3.549 20 0 CHADMN CCc1cc(CNCc2ccc(C3CCCC3)cc2)[nH]n1 ZINC000812756868 1130712313 /nfs/dbraw/zinc/71/23/13/1130712313.db2.gz ZSMIHQUCCQZCPD-UHFFFAOYSA-N 0 1 283.419 3.920 20 0 CHADMN CCN(Cc1c(Cl)nc2ccccn21)CC(C)(C)C ZINC000812794539 1130717461 /nfs/dbraw/zinc/71/74/61/1130717461.db2.gz HYIMAKAFTZRMEJ-UHFFFAOYSA-N 0 1 279.815 3.856 20 0 CHADMN Cc1cc(Cl)c(CN2CCN(C3CC3)CC2)c(Cl)c1 ZINC001235173215 1130717495 /nfs/dbraw/zinc/71/74/95/1130717495.db2.gz GGIKKDSATZEJHN-UHFFFAOYSA-N 0 1 299.245 3.582 20 0 CHADMN CC(C)N(C)Cc1nc(Cl)ccc1C(F)(F)F ZINC001235231371 1130726386 /nfs/dbraw/zinc/72/63/86/1130726386.db2.gz XNJCLHVFMHIYMI-UHFFFAOYSA-N 0 1 266.694 3.594 20 0 CHADMN CCc1cccc(CN2CCC[C@@H]2c2ccccc2OC)n1 ZINC001235258148 1130728776 /nfs/dbraw/zinc/72/87/76/1130728776.db2.gz NWNXZILTEUIQSD-GOSISDBHSA-N 0 1 296.414 3.990 20 0 CHADMN CCc1cccc(CN(C)[C@H](C)c2ccc(OC)cc2)n1 ZINC001235257535 1130729637 /nfs/dbraw/zinc/72/96/37/1130729637.db2.gz HUEXLBLRUNAQAF-CQSZACIVSA-N 0 1 284.403 3.846 20 0 CHADMN CCc1cccc(CN2CCC[C@H](Oc3ccccc3)C2)n1 ZINC001235258673 1130730047 /nfs/dbraw/zinc/73/00/47/1130730047.db2.gz RDAGHYPTVGMJQW-IBGZPJMESA-N 0 1 296.414 3.687 20 0 CHADMN Cc1cnc(F)c(CN2CCC[C@@H]2c2ccccc2)c1 ZINC001235334283 1130733798 /nfs/dbraw/zinc/73/37/98/1130733798.db2.gz KXUMBIKQFCDWJS-MRXNPFEDSA-N 0 1 270.351 3.866 20 0 CHADMN CN(Cc1cc(F)c(F)c(F)c1F)CC(C)(C)C ZINC001235355447 1130736057 /nfs/dbraw/zinc/73/60/57/1130736057.db2.gz SAORVERQFRMKMP-UHFFFAOYSA-N 0 1 263.278 3.721 20 0 CHADMN CCOc1cc(O)cc(CN2Cc3ccccc3[C@H](C)C2)c1 ZINC001235385426 1130736828 /nfs/dbraw/zinc/73/68/28/1130736828.db2.gz KIDRHVAETOKSAQ-CQSZACIVSA-N 0 1 297.398 3.910 20 0 CHADMN CCOc1cc(O)cc(CN(C)Cc2ccc(F)cc2)c1 ZINC001235387104 1130737427 /nfs/dbraw/zinc/73/74/27/1130737427.db2.gz RPPBLDIQJWEGHV-UHFFFAOYSA-N 0 1 289.350 3.562 20 0 CHADMN CSc1ccccc1COC(=O)c1cccc2[nH]ncc21 ZINC000781858894 1130743761 /nfs/dbraw/zinc/74/37/61/1130743761.db2.gz XSXWQCWKSMPEKL-UHFFFAOYSA-N 0 1 298.367 3.642 20 0 CHADMN COc1cc(CN2CC[C@@H](C)C[C@@H]2C)cc(F)c1F ZINC001235451914 1130746040 /nfs/dbraw/zinc/74/60/40/1130746040.db2.gz UHNLOXKXSFZWJL-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN C[C@@H]1CC[C@]2(CCN(Cc3cccnc3Cl)C2)C1 ZINC000781928588 1130748003 /nfs/dbraw/zinc/74/80/03/1130748003.db2.gz NGDUERYRFCTOON-DOMZBBRYSA-N 0 1 264.800 3.747 20 0 CHADMN C[C@@H]1CCCN(Cc2cncc(F)c2Cl)C[C@@H]1C ZINC001235488695 1130749851 /nfs/dbraw/zinc/74/98/51/1130749851.db2.gz OFEJBXBSCHEQTE-MNOVXSKESA-N 0 1 270.779 3.742 20 0 CHADMN FC(F)C1CCN(Cc2c[nH]c3cnc(Cl)cc23)CC1 ZINC001235522403 1130750334 /nfs/dbraw/zinc/75/03/34/1130750334.db2.gz VSJAJKXLYDPAFX-UHFFFAOYSA-N 0 1 299.752 3.693 20 0 CHADMN Cc1ccnc(CN(C)CCc2cccs2)c1Cl ZINC001235583654 1130755581 /nfs/dbraw/zinc/75/55/81/1130755581.db2.gz FTXKCNDFUSDMHM-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN Cc1[nH]c2c(ncnc2-c2cc(Cl)ccc2O)c1C ZINC001245047878 1130773118 /nfs/dbraw/zinc/77/31/18/1130773118.db2.gz CBPIMASRLKYAPV-UHFFFAOYSA-N 0 1 273.723 3.601 20 0 CHADMN C[C@]1(CF)CCN(Cc2ccc(Cl)c(F)c2)C1 ZINC001137649525 1130780458 /nfs/dbraw/zinc/78/04/58/1130780458.db2.gz GRHPJGAPSUGKCP-CYBMUJFWSA-N 0 1 259.727 3.661 20 0 CHADMN Cc1nn(C)c(Cl)c1CN1CCCC2(CCCC2)C1 ZINC000782638579 1130785309 /nfs/dbraw/zinc/78/53/09/1130785309.db2.gz GDDNPWBDRHNVOL-UHFFFAOYSA-N 0 1 281.831 3.538 20 0 CHADMN Cc1ccccc1[C@@H](C)OC(=O)Cc1[nH]nc2ccccc21 ZINC000783157149 1130799162 /nfs/dbraw/zinc/79/91/62/1130799162.db2.gz NDONMXUDSILSLE-CYBMUJFWSA-N 0 1 294.354 3.718 20 0 CHADMN Cc1nc2cccc(-c3cc(O)cc(Cl)c3)c2[nH]1 ZINC001235906993 1130803943 /nfs/dbraw/zinc/80/39/43/1130803943.db2.gz SRPCGQQIMUOCMI-UHFFFAOYSA-N 0 1 258.708 3.897 20 0 CHADMN CC/C=C\CCCCCCN1CC[C@H](N)C(F)(F)C1 ZINC001235911328 1130804505 /nfs/dbraw/zinc/80/45/05/1130804505.db2.gz GTXVBPSECVOFMM-NQHOJNORSA-N 0 1 274.399 3.571 20 0 CHADMN Fc1ccc([C@@H](NC[C@@H]2CCC=CO2)c2ccccn2)cc1 ZINC000783308325 1130814033 /nfs/dbraw/zinc/81/40/33/1130814033.db2.gz CSSAPCAIZSWKFU-FUHWJXTLSA-N 0 1 298.361 3.592 20 0 CHADMN Fc1ccc([C@H](NC[C@@H]2CCC=CO2)c2ccccc2)nc1 ZINC000783311712 1130814938 /nfs/dbraw/zinc/81/49/38/1130814938.db2.gz WZWCXSRGRWNREQ-FUHWJXTLSA-N 0 1 298.361 3.592 20 0 CHADMN Cc1cnc(-c2ccc(Cl)cc2Cl)cc1N ZINC001235965464 1130820733 /nfs/dbraw/zinc/82/07/33/1130820733.db2.gz NYUFMCRKTARQFL-UHFFFAOYSA-N 0 1 253.132 3.946 20 0 CHADMN Cc1nsc2nc(-c3c(F)cc(F)c(O)c3F)ccc12 ZINC001235983505 1130822807 /nfs/dbraw/zinc/82/28/07/1130822807.db2.gz CVGWNRGMQKDWLR-UHFFFAOYSA-N 0 1 296.273 3.790 20 0 CHADMN Oc1c(F)cc(F)c(-c2cc(C(F)(F)F)ccn2)c1F ZINC001235986334 1130823791 /nfs/dbraw/zinc/82/37/91/1130823791.db2.gz QZWIJBAIABHTPX-UHFFFAOYSA-N 0 1 293.166 3.890 20 0 CHADMN CC(C)Oc1cccnc1-c1c(F)cc(F)c(O)c1F ZINC001235995592 1130824703 /nfs/dbraw/zinc/82/47/03/1130824703.db2.gz ZWOHOJGVMFESHC-UHFFFAOYSA-N 0 1 283.249 3.659 20 0 CHADMN COc1cc(-c2c(F)cc(F)c(O)c2F)cc2[nH]ccc21 ZINC001235996187 1130824846 /nfs/dbraw/zinc/82/48/46/1130824846.db2.gz KKIMSUJLKGWJNX-UHFFFAOYSA-N 0 1 293.244 3.966 20 0 CHADMN COCOc1ccc(C)cc1-c1c(F)cc(F)c(O)c1F ZINC001235995843 1130825024 /nfs/dbraw/zinc/82/50/24/1130825024.db2.gz HFARVUPDBRTRII-UHFFFAOYSA-N 0 1 298.260 3.768 20 0 CHADMN Oc1c(F)cc(F)c(-c2c(F)cccc2F)c1F ZINC001235995547 1130825901 /nfs/dbraw/zinc/82/59/01/1130825901.db2.gz PCOHQEKRWNEALP-UHFFFAOYSA-N 0 1 260.161 3.755 20 0 CHADMN CC(C)Oc1ccc(-c2c(F)cc(F)c(O)c2F)cn1 ZINC001235995434 1130826097 /nfs/dbraw/zinc/82/60/97/1130826097.db2.gz OCBVLTURTDAWSX-UHFFFAOYSA-N 0 1 283.249 3.659 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccccc2C2OCCO2)c1F ZINC001235998253 1130827520 /nfs/dbraw/zinc/82/75/20/1130827520.db2.gz KNLVMTCQDIBRKQ-UHFFFAOYSA-N 0 1 296.244 3.522 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccnc(C(F)F)c2)c1F ZINC001235999038 1130827712 /nfs/dbraw/zinc/82/77/12/1130827712.db2.gz VKDHYWYZENKPOJ-UHFFFAOYSA-N 0 1 275.176 3.809 20 0 CHADMN COCc1ccc(-c2c(F)cc(F)c(O)c2F)c(F)c1 ZINC001236003017 1130828501 /nfs/dbraw/zinc/82/85/01/1130828501.db2.gz YKIQENVRKILDCM-UHFFFAOYSA-N 0 1 286.224 3.762 20 0 CHADMN CC(C)(C)c1ncncc1-c1c(F)cc(F)c(O)c1F ZINC001236002912 1130829315 /nfs/dbraw/zinc/82/93/15/1130829315.db2.gz UVTZZFZBGDKTQV-UHFFFAOYSA-N 0 1 282.265 3.564 20 0 CHADMN Nc1cnc2c(cccc2-c2c(F)cc(F)c(O)c2F)c1 ZINC001236001662 1130829723 /nfs/dbraw/zinc/82/97/23/1130829723.db2.gz DBNMWIWWMJSRQZ-UHFFFAOYSA-N 0 1 290.244 3.607 20 0 CHADMN Cc1noc2ccc(-c3c(F)cc(F)c(O)c3F)cc12 ZINC001236001722 1130830037 /nfs/dbraw/zinc/83/00/37/1130830037.db2.gz FEBFVJORNUVBNI-UHFFFAOYSA-N 0 1 279.217 3.926 20 0 CHADMN COc1c(F)c(F)ccc1-c1c(F)cc(F)c(O)c1F ZINC001236000865 1130830562 /nfs/dbraw/zinc/83/05/62/1130830562.db2.gz YPEDRVGXBQRPBF-UHFFFAOYSA-N 0 1 290.187 3.763 20 0 CHADMN CCc1nn(C)c(Cl)c1CN1CC2(CCC2)[C@@H]1C(C)C ZINC000814171596 1130833767 /nfs/dbraw/zinc/83/37/67/1130833767.db2.gz RJQHHYKAHMCGRI-AWEZNQCLSA-N 0 1 295.858 3.646 20 0 CHADMN Cc1cnc(CC[N@H+]2Cc3ccccc3O[C@@H](C)C2)c(C)c1 ZINC001170731474 1130835852 /nfs/dbraw/zinc/83/58/52/1130835852.db2.gz FBJLDYURQQROEP-INIZCTEOSA-N 0 1 296.414 3.524 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1cccc(C2CC2)c1 ZINC001236084104 1130852491 /nfs/dbraw/zinc/85/24/91/1130852491.db2.gz DOQAVUZDTMMMKC-UHFFFAOYSA-N 0 1 253.280 3.641 20 0 CHADMN COc1cc(C)[nH+]cc1-c1ccc(Cl)c(C(=O)[O-])c1F ZINC001236164809 1130878435 /nfs/dbraw/zinc/87/84/35/1130878435.db2.gz MRSPZUDMNXVMCS-UHFFFAOYSA-N 0 1 295.697 3.556 20 0 CHADMN COc1cc(-c2cc3nc[nH]c3c(C)c2)cc(C)c1F ZINC001236191177 1130883097 /nfs/dbraw/zinc/88/30/97/1130883097.db2.gz QVWWGQCOBLUARK-UHFFFAOYSA-N 0 1 270.307 3.994 20 0 CHADMN C[C@@H]1CN(Cc2cccnc2Cl)CC(C)(C)C1 ZINC000784349052 1130899426 /nfs/dbraw/zinc/89/94/26/1130899426.db2.gz CFVNOUNPDYRARL-NSHDSACASA-N 0 1 252.789 3.603 20 0 CHADMN CC1(C)[C@@H]2C[C@H](n3cncc3CNCc3ccccc3)C[C@@H]21 ZINC001170764442 1130909574 /nfs/dbraw/zinc/90/95/74/1130909574.db2.gz IUJVZSVWTUQEJM-VBUUOAMHSA-N 0 1 295.430 3.780 20 0 CHADMN CC(C)[C@H]1CC[C@H]1NCc1c(F)c(F)cc(F)c1F ZINC000796827125 1130935911 /nfs/dbraw/zinc/93/59/11/1130935911.db2.gz PLBJBKKHWREYHB-PRHODGIISA-N 0 1 275.289 3.767 20 0 CHADMN Cc1ccc(F)c(-c2cc(F)c3c(c2)CN(C)CC3)c1O ZINC001236426675 1130938587 /nfs/dbraw/zinc/93/85/87/1130938587.db2.gz ZTVBCYHXNWLVIR-UHFFFAOYSA-N 0 1 289.325 3.634 20 0 CHADMN CSc1ccc(C)c(N[C@@H]2CCCc3[nH]ncc32)c1 ZINC000796901589 1130944292 /nfs/dbraw/zinc/94/42/92/1130944292.db2.gz XUYNYQOVHOQFGT-CYBMUJFWSA-N 0 1 273.405 3.930 20 0 CHADMN COc1cc(C)c(N[C@@H]2CCCc3[nH]ncc32)cc1C ZINC000796968109 1130949770 /nfs/dbraw/zinc/94/97/70/1130949770.db2.gz PEVPERKJWWSTQC-CYBMUJFWSA-N 0 1 271.364 3.525 20 0 CHADMN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2ccnc(Br)c2)C1 ZINC000815099951 1130961242 /nfs/dbraw/zinc/96/12/42/1130961242.db2.gz IZPMDCSOFAWLRW-WOPDTQHZSA-N 0 1 297.240 3.711 20 0 CHADMN C[C@@H]1CN(Cc2cc(Cl)nc3ccccc23)[C@H]1C ZINC000815161880 1130963556 /nfs/dbraw/zinc/96/35/56/1130963556.db2.gz CYQNLYUPMHSDHQ-MNOVXSKESA-N 0 1 260.768 3.728 20 0 CHADMN COc1cccc2cc(CNc3cc4c(cn3)CCC4)oc21 ZINC000815159399 1130963603 /nfs/dbraw/zinc/96/36/03/1130963603.db2.gz SQTVWZRWFKADIJ-UHFFFAOYSA-N 0 1 294.354 3.937 20 0 CHADMN C[C@H]1CN(Cc2c(-c3ccccc3)nc3sccn23)[C@H]1C ZINC000815163151 1130964802 /nfs/dbraw/zinc/96/48/02/1130964802.db2.gz LWROFDMIHVLXJO-STQMWFEESA-N 0 1 297.427 3.903 20 0 CHADMN CSc1ccc(Nc2cc([C@@H]3CCCCN3)no2)cc1 ZINC001159309255 1130971327 /nfs/dbraw/zinc/97/13/27/1130971327.db2.gz RUZMPAGCJQXADL-ZDUSSCGKSA-N 0 1 289.404 3.955 20 0 CHADMN C=Cc1ccccc1Nc1cc([C@H]2CCCCN2)no1 ZINC001159314130 1130971728 /nfs/dbraw/zinc/97/17/28/1130971728.db2.gz YMXREWHPGQQDDV-CQSZACIVSA-N 0 1 269.348 3.876 20 0 CHADMN CCOc1ccc(CN2CC[C@H](C)C2)cc1Br ZINC001236661225 1130990665 /nfs/dbraw/zinc/99/06/65/1130990665.db2.gz KUKYVMFLFRSHNI-NSHDSACASA-N 0 1 298.224 3.690 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(Br)c(O)c2)[C@@H]1C ZINC001236688230 1130994333 /nfs/dbraw/zinc/99/43/33/1130994333.db2.gz UFWYXNUCDUGTIU-GHMZBOCLSA-N 0 1 298.224 3.775 20 0 CHADMN Cc1cc(CN2CCS[C@H]3CCCC[C@H]32)cc(Cl)n1 ZINC000797592361 1130996582 /nfs/dbraw/zinc/99/65/82/1130996582.db2.gz VUZIFGKDWYDVLO-KGLIPLIRSA-N 0 1 296.867 3.903 20 0 CHADMN COc1ccc(C)cc1CNCc1cc(C)nc(Cl)c1 ZINC000797595449 1130996640 /nfs/dbraw/zinc/99/66/40/1130996640.db2.gz UGRFOJQIHGOHIU-UHFFFAOYSA-N 0 1 290.794 3.650 20 0 CHADMN COC1(C)CCN(Cc2ccc(F)c(C)c2Cl)CC1 ZINC001236708197 1130997080 /nfs/dbraw/zinc/99/70/80/1130997080.db2.gz OAULWRUUDLPNKC-UHFFFAOYSA-N 0 1 285.790 3.788 20 0 CHADMN CC[N@@H+](Cc1ccc(F)c(O)c1)C1CCCCC1 ZINC001236708214 1130997746 /nfs/dbraw/zinc/99/77/46/1130997746.db2.gz SPTCUYYFZQZNII-UHFFFAOYSA-N 0 1 251.345 3.686 20 0 CHADMN CC[N@H+](Cc1ccc(F)c([O-])c1)C1CCCCC1 ZINC001236708214 1130997750 /nfs/dbraw/zinc/99/77/50/1130997750.db2.gz SPTCUYYFZQZNII-UHFFFAOYSA-N 0 1 251.345 3.686 20 0 CHADMN CC[N@@H+](Cc1ccc(F)c([O-])c1)C1CCCCC1 ZINC001236708214 1130997754 /nfs/dbraw/zinc/99/77/54/1130997754.db2.gz SPTCUYYFZQZNII-UHFFFAOYSA-N 0 1 251.345 3.686 20 0 CHADMN Cc1c(F)ccc(CN2CC[C@](C)(CF)C2)c1Cl ZINC001236707596 1130997956 /nfs/dbraw/zinc/99/79/56/1130997956.db2.gz FRJDHIMWZDSESE-CQSZACIVSA-N 0 1 273.754 3.969 20 0 CHADMN Cc1c(F)ccc(CN2CC[C@@]3(CCCO3)C2)c1Cl ZINC001236709429 1130998037 /nfs/dbraw/zinc/99/80/37/1130998037.db2.gz WIDDBLNBBKPTEF-HNNXBMFYSA-N 0 1 283.774 3.542 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2CCC3(CCC3)C2)c1 ZINC001236777006 1131004337 /nfs/dbraw/zinc/00/43/37/1131004337.db2.gz ZTQNFCVZGKZOHW-UHFFFAOYSA-N 0 1 293.794 3.503 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000815599604 1131007256 /nfs/dbraw/zinc/00/72/56/1131007256.db2.gz WURQPLDPVFVJAE-VXGBXAGGSA-N 0 1 290.386 3.787 20 0 CHADMN COc1cc(CN2[C@H](C)CCC[C@H]2C)c(F)cc1F ZINC001236816340 1131013321 /nfs/dbraw/zinc/01/33/21/1131013321.db2.gz YJEQBFXFVJMLNM-GHMZBOCLSA-N 0 1 269.335 3.736 20 0 CHADMN COc1cc(CN2CCC[C@H](C)[C@@H]2C)c(F)cc1F ZINC001236824203 1131013683 /nfs/dbraw/zinc/01/36/83/1131013683.db2.gz PBDKGZYTYQEFCV-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN COc1cc(CN2CCCCCCC2)c(F)cc1F ZINC001236836111 1131019898 /nfs/dbraw/zinc/01/98/98/1131019898.db2.gz XIUGAWCZLZYKND-UHFFFAOYSA-N 0 1 269.335 3.740 20 0 CHADMN CCOc1cncc(CN(CC)Cc2ccc(C)cc2)c1 ZINC001236839957 1131020440 /nfs/dbraw/zinc/02/04/40/1131020440.db2.gz BJUGXPMDOOSTRR-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN COCCN(Cc1cccc(C)c1Cl)C(C)C ZINC001236853856 1131024075 /nfs/dbraw/zinc/02/40/75/1131024075.db2.gz NXKCNWALKDRWMA-UHFFFAOYSA-N 0 1 255.789 3.505 20 0 CHADMN CN(Cc1cc2sccc2nc1Cl)CC1CC1 ZINC001236861020 1131025607 /nfs/dbraw/zinc/02/56/07/1131025607.db2.gz PNAGIJNEKCMTJW-UHFFFAOYSA-N 0 1 266.797 3.792 20 0 CHADMN Oc1ccc2c(c1)CCN(Cc1ccc(F)c3ccoc31)C2 ZINC001236897444 1131028350 /nfs/dbraw/zinc/02/83/50/1131028350.db2.gz SVBDPVLXFUZKBA-UHFFFAOYSA-N 0 1 297.329 3.836 20 0 CHADMN CC(C)(C)Oc1ccccc1CN1CCC[C@]2(CCO2)C1 ZINC001237031166 1131037685 /nfs/dbraw/zinc/03/76/85/1131037685.db2.gz IVEGQDLNSBHJCL-SFHVURJKSA-N 0 1 289.419 3.619 20 0 CHADMN Fc1ccc(CN2CC3(C2)CCCC3)cc1N1CCCC1 ZINC001237100943 1131049651 /nfs/dbraw/zinc/04/96/51/1131049651.db2.gz ZXHGMRPSWKOYEY-UHFFFAOYSA-N 0 1 288.410 3.802 20 0 CHADMN COc1cccc2c(CN3CCC[C@](C)(F)C3)ccnc12 ZINC001237113976 1131052413 /nfs/dbraw/zinc/05/24/13/1131052413.db2.gz SMQNFMWFJKSSRO-KRWDZBQOSA-N 0 1 288.366 3.567 20 0 CHADMN O=c1[n-]c(Cl)c(C[N@@H+]2CCC3(C2)CCCCC3)s1 ZINC001237153254 1131060154 /nfs/dbraw/zinc/06/01/54/1131060154.db2.gz BNCWIFVKZVLKLT-UHFFFAOYSA-N 0 1 286.828 3.658 20 0 CHADMN O=c1[n-]c(Cl)c(C[N@H+]2CCC3(C2)CCCCC3)s1 ZINC001237153254 1131060159 /nfs/dbraw/zinc/06/01/59/1131060159.db2.gz BNCWIFVKZVLKLT-UHFFFAOYSA-N 0 1 286.828 3.658 20 0 CHADMN COc1ccccc1[C@H]1CC[N@H+](Cc2occc2[S-])C1 ZINC001237183828 1131064189 /nfs/dbraw/zinc/06/41/89/1131064189.db2.gz VEMFGHWNCSYJBJ-LBPRGKRZSA-N 0 1 289.400 3.566 20 0 CHADMN COc1ccccc1[C@H]1CC[N@@H+](Cc2occc2[S-])C1 ZINC001237183828 1131064193 /nfs/dbraw/zinc/06/41/93/1131064193.db2.gz VEMFGHWNCSYJBJ-LBPRGKRZSA-N 0 1 289.400 3.566 20 0 CHADMN CCN(Cc1sc(=O)[nH]c1Cl)Cc1ccc(C)cc1 ZINC001237169537 1131065017 /nfs/dbraw/zinc/06/50/17/1131065017.db2.gz PNKBFQPZKDSUKS-UHFFFAOYSA-N 0 1 296.823 3.833 20 0 CHADMN Fc1cc(Cl)ccc1CN1CC[C@H](c2ccccn2)C1 ZINC000798964733 1131067054 /nfs/dbraw/zinc/06/70/54/1131067054.db2.gz UFIWEZRTHSCIHT-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN Fc1ccccc1[C@@H]1CC[N@H+](Cc2occc2[S-])C1 ZINC001237190828 1131069017 /nfs/dbraw/zinc/06/90/17/1131069017.db2.gz IZSSHTXBHBPJJH-LLVKDONJSA-N 0 1 277.364 3.697 20 0 CHADMN Fc1ccccc1[C@@H]1CC[N@@H+](Cc2occc2[S-])C1 ZINC001237190828 1131069022 /nfs/dbraw/zinc/06/90/22/1131069022.db2.gz IZSSHTXBHBPJJH-LLVKDONJSA-N 0 1 277.364 3.697 20 0 CHADMN Fc1ccccc1[C@H]1CC[N@H+](Cc2occc2[S-])C1 ZINC001237190829 1131069224 /nfs/dbraw/zinc/06/92/24/1131069224.db2.gz IZSSHTXBHBPJJH-NSHDSACASA-N 0 1 277.364 3.697 20 0 CHADMN Fc1ccccc1[C@H]1CC[N@@H+](Cc2occc2[S-])C1 ZINC001237190829 1131069229 /nfs/dbraw/zinc/06/92/29/1131069229.db2.gz IZSSHTXBHBPJJH-NSHDSACASA-N 0 1 277.364 3.697 20 0 CHADMN c1ccc2c(c1)sc1ccc(CN3CC4(COC4)C3)cc12 ZINC001237195622 1131069956 /nfs/dbraw/zinc/06/99/56/1131069956.db2.gz KQQHJMUJCYUICL-UHFFFAOYSA-N 0 1 295.407 3.887 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cnc(Cl)cn2)c(C)c1 ZINC000799116291 1131070013 /nfs/dbraw/zinc/07/00/13/1131070013.db2.gz HRHZDFLKORVUHT-CYBMUJFWSA-N 0 1 289.810 3.940 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1cnc(Cl)cn1 ZINC000799139611 1131072593 /nfs/dbraw/zinc/07/25/93/1131072593.db2.gz RLKIVVYEBNMMHF-WCQYABFASA-N 0 1 267.804 3.531 20 0 CHADMN Fc1ccc(Cl)c(CN2CC[C@H](c3ccccn3)C2)c1 ZINC000799192609 1131076020 /nfs/dbraw/zinc/07/60/20/1131076020.db2.gz BUKQOKKQSGRAME-LBPRGKRZSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1cc(F)cc(C)c1CN1CC[C@@H](C)[C@H](F)C1 ZINC001237316545 1131080245 /nfs/dbraw/zinc/08/02/45/1131080245.db2.gz DMHQPHVWFNUOQD-MEBBXXQBSA-N 0 1 253.336 3.622 20 0 CHADMN COc1ccc(-c2ccccc2)c(CN2CC[C@@H](F)C2)c1 ZINC001237307319 1131081184 /nfs/dbraw/zinc/08/11/84/1131081184.db2.gz PKWUETZJOLAWIA-MRXNPFEDSA-N 0 1 285.362 3.906 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H]3OCCC[C@@H]3C2)c1Cl ZINC001138022825 1131082370 /nfs/dbraw/zinc/08/23/70/1131082370.db2.gz NSARYUBGSCNTJV-DOMZBBRYSA-N 0 1 297.801 3.788 20 0 CHADMN COC[C@H]1CC[N@@H+](Cc2c(Cl)ccc(C)c2Cl)C1 ZINC001237332037 1131086804 /nfs/dbraw/zinc/08/68/04/1131086804.db2.gz RPWXXKSQADQMOW-NSHDSACASA-N 0 1 288.218 3.770 20 0 CHADMN COC[C@H]1CCN(Cc2c(Cl)ccc(C)c2Cl)C1 ZINC001237332037 1131086809 /nfs/dbraw/zinc/08/68/09/1131086809.db2.gz RPWXXKSQADQMOW-NSHDSACASA-N 0 1 288.218 3.770 20 0 CHADMN CCc1cccc(C)c1C[N@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001237335978 1131087044 /nfs/dbraw/zinc/08/70/44/1131087044.db2.gz RSPXIZTXLQUDBH-FUHWJXTLSA-N 0 1 285.431 3.891 20 0 CHADMN FC(F)(F)[C@H]1CCN(Cc2cnc(-c3ccccc3)o2)C1 ZINC001237372535 1131091619 /nfs/dbraw/zinc/09/16/19/1131091619.db2.gz DFGULKDIGUQVOW-LBPRGKRZSA-N 0 1 296.292 3.726 20 0 CHADMN CN(Cc1cccc(F)c1NC(=O)OC(C)(C)C)C1CC1 ZINC001237360099 1131092192 /nfs/dbraw/zinc/09/21/92/1131092192.db2.gz TWOZDHQDZUIWKR-UHFFFAOYSA-N 0 1 294.370 3.767 20 0 CHADMN c1c(CN2CCC[C@@H]2c2ccccc2)nn2ccccc12 ZINC001237444691 1131098141 /nfs/dbraw/zinc/09/81/41/1131098141.db2.gz ZGWRUYDSGIMKLH-GOSISDBHSA-N 0 1 277.371 3.671 20 0 CHADMN FC1(F)CCCN(Cc2c(Cl)[nH]c3cnccc32)CC1 ZINC001237449254 1131099153 /nfs/dbraw/zinc/09/91/53/1131099153.db2.gz MKYDCAXAVFMMAM-UHFFFAOYSA-N 0 1 299.752 3.838 20 0 CHADMN Cn1ncc(CN(CC2CCCCC2)C2CC2)c1Cl ZINC000816493892 1131100442 /nfs/dbraw/zinc/10/04/42/1131100442.db2.gz QVBHSXWFELKHCY-UHFFFAOYSA-N 0 1 281.831 3.618 20 0 CHADMN CC(C)c1cccc(CN2CCO[C@H](C(C)C)C2)c1 ZINC001237460714 1131100899 /nfs/dbraw/zinc/10/08/99/1131100899.db2.gz WTKPAHDDUJQNCS-KRWDZBQOSA-N 0 1 261.409 3.667 20 0 CHADMN C[C@@H](NCc1nccc2ccccc21)c1cccc(O)c1 ZINC000799715676 1131103632 /nfs/dbraw/zinc/10/36/32/1131103632.db2.gz IDXNEBGOPFEVNK-CYBMUJFWSA-N 0 1 278.355 3.791 20 0 CHADMN COc1cccc2c1CCN(Cc1cccc(C)c1OC)C2 ZINC001237507920 1131107997 /nfs/dbraw/zinc/10/79/97/1131107997.db2.gz OOXGSOLEMFBFPR-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN C[C@H]1CN(Cc2cccc3c(F)cccc23)CCCC1=O ZINC001237523241 1131108903 /nfs/dbraw/zinc/10/89/03/1131108903.db2.gz SLWXRNMEZJYESA-ZDUSSCGKSA-N 0 1 285.362 3.780 20 0 CHADMN [O-]c1c(C[N@H+]2CCC23CCCC3)cc(Cl)nc1Cl ZINC001237520696 1131109225 /nfs/dbraw/zinc/10/92/25/1131109225.db2.gz WNFBMSSUDRVHEZ-UHFFFAOYSA-N 0 1 287.190 3.613 20 0 CHADMN Fc1ccccc1[C@@H]1CCCN1Cc1ccn2nccc2c1 ZINC001237538641 1131112293 /nfs/dbraw/zinc/11/22/93/1131112293.db2.gz GXEIWXDNCXISSQ-SFHVURJKSA-N 0 1 295.361 3.811 20 0 CHADMN Cc1cc(CN2CC(C)(C)[C@H]2C(C)C)cc(Cl)n1 ZINC000816624698 1131112645 /nfs/dbraw/zinc/11/26/45/1131112645.db2.gz DSNLMGZEXDOHFB-CQSZACIVSA-N 0 1 266.816 3.910 20 0 CHADMN C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1cnn(C)c1Cl ZINC000816612258 1131115520 /nfs/dbraw/zinc/11/55/20/1131115520.db2.gz KNXPSRLWENXAIO-DGCLKSJQSA-N 0 1 283.847 3.720 20 0 CHADMN CCn1cncc1CN1CC[C@@H](c2ccccc2Cl)C1 ZINC001237591468 1131117086 /nfs/dbraw/zinc/11/70/86/1131117086.db2.gz WQDOIVWTGNKBFJ-CYBMUJFWSA-N 0 1 289.810 3.546 20 0 CHADMN Cc1nn(-c2ccc(Cl)cc2)cc1CN1C[C@@H](C)[C@H]1C ZINC000816646579 1131117117 /nfs/dbraw/zinc/11/71/17/1131117117.db2.gz GECCUTNELWDZRD-DGCLKSJQSA-N 0 1 289.810 3.674 20 0 CHADMN CCN(CCOc1cccc(F)c1)Cc1ccccc1F ZINC001115914887 1131123321 /nfs/dbraw/zinc/12/33/21/1131123321.db2.gz MGJXRMBAMCZNQN-UHFFFAOYSA-N 0 1 291.341 3.866 20 0 CHADMN COCCN(Cc1cc(C)cc(C)c1Cl)C(C)C ZINC001237704201 1131130964 /nfs/dbraw/zinc/13/09/64/1131130964.db2.gz KFUHRZVVKRVEDN-UHFFFAOYSA-N 0 1 269.816 3.814 20 0 CHADMN COC[C@@H]1CC[N@@H+](Cc2cc(C)c(Cl)cc2Cl)C1 ZINC001237701689 1131130301 /nfs/dbraw/zinc/13/03/01/1131130301.db2.gz MBIQCDNTEORTEO-LLVKDONJSA-N 0 1 288.218 3.770 20 0 CHADMN COC[C@@H]1CCN(Cc2cc(C)c(Cl)cc2Cl)C1 ZINC001237701689 1131130303 /nfs/dbraw/zinc/13/03/03/1131130303.db2.gz MBIQCDNTEORTEO-LLVKDONJSA-N 0 1 288.218 3.770 20 0 CHADMN COCC[N@@H+](Cc1cc(C)cc(C)c1Cl)C(C)C ZINC001237704201 1131130960 /nfs/dbraw/zinc/13/09/60/1131130960.db2.gz KFUHRZVVKRVEDN-UHFFFAOYSA-N 0 1 269.816 3.814 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(Cl)c2C)cn1 ZINC001237736700 1131134780 /nfs/dbraw/zinc/13/47/80/1131134780.db2.gz WCTQTSDSBRIGGZ-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1c(Cl)cccc1CN1CC(c2cccnc2)C1 ZINC001237736750 1131135260 /nfs/dbraw/zinc/13/52/60/1131135260.db2.gz WQDWSUDESTZRMY-UHFFFAOYSA-N 0 1 272.779 3.643 20 0 CHADMN CCc1ccc(C(=O)Nc2nc3ccc(C)cc3[nH]2)s1 ZINC000817018222 1131136595 /nfs/dbraw/zinc/13/65/95/1131136595.db2.gz UPRNUUIPGPGSSV-UHFFFAOYSA-N 0 1 285.372 3.748 20 0 CHADMN CC(C(=O)Nc1nc2ccc(C)cc2[nH]1)=C1CCCC1 ZINC000817018257 1131137136 /nfs/dbraw/zinc/13/71/36/1131137136.db2.gz VZZNYVOAALSYKK-UHFFFAOYSA-N 0 1 269.348 3.700 20 0 CHADMN Cc1nc(CN(C)Cc2cccc3cccnc32)ccc1F ZINC001237815758 1131142051 /nfs/dbraw/zinc/14/20/51/1131142051.db2.gz CKWHAMFFBTUWOA-UHFFFAOYSA-N 0 1 295.361 3.709 20 0 CHADMN Cc1nc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)ccc1F ZINC001237820806 1131143765 /nfs/dbraw/zinc/14/37/65/1131143765.db2.gz PPMFRKSOZVAFBV-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(F)c(C)n1 ZINC001237827178 1131143948 /nfs/dbraw/zinc/14/39/48/1131143948.db2.gz OWNLSNKQRJTIKQ-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1ccc(F)c(C)n1 ZINC001237827178 1131143950 /nfs/dbraw/zinc/14/39/50/1131143950.db2.gz OWNLSNKQRJTIKQ-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN CCc1ncc(C[N@H+]2CCC(F)(F)C(C)(C)C2)s1 ZINC001237821593 1131144265 /nfs/dbraw/zinc/14/42/65/1131144265.db2.gz QGIOOIUDDHBYFL-UHFFFAOYSA-N 0 1 274.380 3.573 20 0 CHADMN CCc1ncc(CN2CCC(F)(F)C(C)(C)C2)s1 ZINC001237821593 1131144268 /nfs/dbraw/zinc/14/42/68/1131144268.db2.gz QGIOOIUDDHBYFL-UHFFFAOYSA-N 0 1 274.380 3.573 20 0 CHADMN COc1cccc([C@H]2CCCN2Cc2ccoc2)c1 ZINC001116437835 1131145292 /nfs/dbraw/zinc/14/52/92/1131145292.db2.gz VBISMFOPWVHCAV-MRXNPFEDSA-N 0 1 257.333 3.625 20 0 CHADMN COc1ccoc1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001237874046 1131146515 /nfs/dbraw/zinc/14/65/15/1131146515.db2.gz SIQDPVKABJAPPM-OAHLLOKOSA-N 0 1 289.350 3.634 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC001116441599 1131147102 /nfs/dbraw/zinc/14/71/02/1131147102.db2.gz ZHZWKMFJBVKDDF-NSHDSACASA-N 0 1 297.324 3.930 20 0 CHADMN CCOC(=O)c1ccccc1C[N@@H+](C)CCc1ccccc1 ZINC001237877818 1131147320 /nfs/dbraw/zinc/14/73/20/1131147320.db2.gz CRYOCVPSJFJOON-UHFFFAOYSA-N 0 1 297.398 3.538 20 0 CHADMN CC(C)c1ocnc1CN1CC[C@@H](C)C2(CCC2)C1 ZINC001116458150 1131148005 /nfs/dbraw/zinc/14/80/05/1131148005.db2.gz XLYBZTPBBSTMMS-CYBMUJFWSA-N 0 1 262.397 3.810 20 0 CHADMN CC(C)C1=NCCc2ccc(CN(C)CC(F)(F)F)cc21 ZINC001237881421 1131148760 /nfs/dbraw/zinc/14/87/60/1131148760.db2.gz QNLNLAZURBNYJN-UHFFFAOYSA-N 0 1 298.352 3.682 20 0 CHADMN COc1ccccc1C1(N[C@H](C)c2cccnc2)CCC1 ZINC001116483386 1131150024 /nfs/dbraw/zinc/15/00/24/1131150024.db2.gz SRZICZBTPPKYRZ-CQSZACIVSA-N 0 1 282.387 3.820 20 0 CHADMN CC[C@@H]1CN(Cc2cncc3ccccc32)C[C@H](CC)O1 ZINC000817280673 1131150792 /nfs/dbraw/zinc/15/07/92/1131150792.db2.gz JZHXNFWRLWZTCW-CALCHBBNSA-N 0 1 284.403 3.624 20 0 CHADMN CCOc1cc(F)cc(CN2CCC(C)(F)CC2)c1 ZINC001237912028 1131151377 /nfs/dbraw/zinc/15/13/77/1131151377.db2.gz CPKGHLTVNLWPJH-UHFFFAOYSA-N 0 1 269.335 3.548 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc2cncn2c1C ZINC001116527245 1131151917 /nfs/dbraw/zinc/15/19/17/1131151917.db2.gz BBWICCCARSOVBN-GUYCJALGSA-N 0 1 299.418 3.684 20 0 CHADMN CCCC[C@@H](NC(=O)c1ccc2cncn2c1C)C1CCC1 ZINC001116531086 1131153372 /nfs/dbraw/zinc/15/33/72/1131153372.db2.gz ZJHGKOMZZWFWPD-QGZVFWFLSA-N 0 1 299.418 3.731 20 0 CHADMN CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc2cncn2c1C ZINC001116547987 1131154311 /nfs/dbraw/zinc/15/43/11/1131154311.db2.gz PXUNWOXWAGFXOH-PBHICJAKSA-N 0 1 299.418 3.731 20 0 CHADMN CCc1ccc(NC(=O)c2ccc3cncn3c2C)cc1C ZINC001116547409 1131154636 /nfs/dbraw/zinc/15/46/36/1131154636.db2.gz IXGRFDAAXUWEDH-UHFFFAOYSA-N 0 1 293.370 3.766 20 0 CHADMN CC(C)(C(=O)NOCC1CC1)c1ccc2ccccc2c1 ZINC000817339320 1131155234 /nfs/dbraw/zinc/15/52/34/1131155234.db2.gz DHKKQJTVSLNLFD-UHFFFAOYSA-N 0 1 283.371 3.575 20 0 CHADMN FC(F)(F)c1ncc(CN2CC3CCC(CC3)C2)s1 ZINC001237952903 1131155727 /nfs/dbraw/zinc/15/57/27/1131155727.db2.gz RTLCWKJJWIVJIK-UHFFFAOYSA-N 0 1 290.354 3.784 20 0 CHADMN CC(C)CCCCCc1nc([C@H]2CN3CCC2CC3)no1 ZINC001116591109 1131156231 /nfs/dbraw/zinc/15/62/31/1131156231.db2.gz PGKOOICAISZAKD-HNNXBMFYSA-N 0 1 291.439 3.638 20 0 CHADMN c1oc(C2CC2)nc1CN1CC[C@H](C2CCCC2)C1 ZINC000817415399 1131160630 /nfs/dbraw/zinc/16/06/30/1131160630.db2.gz SDCXVCBYWGYHFH-AWEZNQCLSA-N 0 1 260.381 3.564 20 0 CHADMN COc1ccc(Cl)cc1CNCc1cc(C)nc(C)c1 ZINC000817411823 1131160798 /nfs/dbraw/zinc/16/07/98/1131160798.db2.gz WGWXMLSLSVUGRG-UHFFFAOYSA-N 0 1 290.794 3.650 20 0 CHADMN COc1ccc(C(F)(F)F)c(CN2C[C@H]3CC[C@@H]2C3)c1 ZINC001238059549 1131166144 /nfs/dbraw/zinc/16/61/44/1131166144.db2.gz UTWNTEIHCYFTJC-CMPLNLGQSA-N 0 1 285.309 3.698 20 0 CHADMN CCOc1cc(C[N@H+]2CCC[C@@H]2c2cnccn2)ccc1C ZINC001238071831 1131168210 /nfs/dbraw/zinc/16/82/10/1131168210.db2.gz NBYZMONTAVSODO-QGZVFWFLSA-N 0 1 297.402 3.521 20 0 CHADMN CCOc1cc(CN2CCC[C@@H]2c2cnccn2)ccc1C ZINC001238071831 1131168211 /nfs/dbraw/zinc/16/82/11/1131168211.db2.gz NBYZMONTAVSODO-QGZVFWFLSA-N 0 1 297.402 3.521 20 0 CHADMN Cc1ccc(O)cc1C[N@H+](C)Cc1cccc2cccnc21 ZINC001238098293 1131171066 /nfs/dbraw/zinc/17/10/66/1131171066.db2.gz JPMRKQUGZUMHDX-UHFFFAOYSA-N 0 1 292.382 3.881 20 0 CHADMN Cc1cc(Cl)nc(CNCc2ccc3c(c2)CCC3)c1 ZINC001116918902 1131171102 /nfs/dbraw/zinc/17/11/02/1131171102.db2.gz QEZUZEMWXYRYDL-UHFFFAOYSA-N 0 1 286.806 3.822 20 0 CHADMN CN(Cc1cccc(F)c1)Cc1cc(Cl)c(O)cc1F ZINC001238143646 1131173933 /nfs/dbraw/zinc/17/39/33/1131173933.db2.gz PBVRQEAIWOLONH-UHFFFAOYSA-N 0 1 297.732 3.956 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)c([O-])cc1F ZINC001238150470 1131174104 /nfs/dbraw/zinc/17/41/04/1131174104.db2.gz VMRYQAPAFLHFCU-NSHDSACASA-N 0 1 271.763 3.949 20 0 CHADMN C[C@@H](OC(=O)[C@H]1CC12CC2)c1nc2ccc(Cl)cc2[nH]1 ZINC000817716973 1131180959 /nfs/dbraw/zinc/18/09/59/1131180959.db2.gz SXMPMWAMBXTMQL-PSASIEDQSA-N 0 1 290.750 3.621 20 0 CHADMN Cc1c(Cl)ccc(CN2[C@@H]3CC[C@H]2CC(=O)C3)c1C ZINC001238212646 1131182676 /nfs/dbraw/zinc/18/26/76/1131182676.db2.gz SUOPTCRMDJSNDP-OKILXGFUSA-N 0 1 277.795 3.653 20 0 CHADMN CO[C@@H](C)C1CN(Cc2ccc(Cl)c(C(C)C)c2)C1 ZINC001238226648 1131184606 /nfs/dbraw/zinc/18/46/06/1131184606.db2.gz XWWQJNVJLKUWJR-LBPRGKRZSA-N 0 1 281.827 3.930 20 0 CHADMN Fc1ccnc(Cl)c1CN1CCC[C@@H]2CCC[C@H]21 ZINC001238230224 1131185876 /nfs/dbraw/zinc/18/58/76/1131185876.db2.gz LTXCSHPUQZJJLU-GXFFZTMASA-N 0 1 268.763 3.639 20 0 CHADMN CCCN(C)Cc1ccc(F)c(C(F)(F)F)c1F ZINC001238249280 1131185937 /nfs/dbraw/zinc/18/59/37/1131185937.db2.gz XRHBUYTUHNELKG-UHFFFAOYSA-N 0 1 267.241 3.825 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC001238234345 1131186228 /nfs/dbraw/zinc/18/62/28/1131186228.db2.gz AKNDAZMOZUQYHD-YEORSEQZSA-N 0 1 279.355 3.534 20 0 CHADMN Cc1cc(Cl)c(Cl)cc1CN1C[C@@H](C)C[C@H]1CO ZINC001238265425 1131187267 /nfs/dbraw/zinc/18/72/67/1131187267.db2.gz ZEELQOCURBWYER-CABZTGNLSA-N 0 1 288.218 3.505 20 0 CHADMN Cc1cc(CN2CCC[C@](C)(O)CC2)c(F)cc1Cl ZINC001238298378 1131188755 /nfs/dbraw/zinc/18/87/55/1131188755.db2.gz HHCCWSKQSYZGKD-HNNXBMFYSA-N 0 1 285.790 3.524 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CCCC[C@H]1C ZINC001238321702 1131190790 /nfs/dbraw/zinc/19/07/90/1131190790.db2.gz FCQPCOVZGYWIPQ-CYBMUJFWSA-N 0 1 265.372 3.987 20 0 CHADMN COc1c(Cl)ccc(F)c1CN(C)CC(C)C ZINC001238334635 1131191728 /nfs/dbraw/zinc/19/17/28/1131191728.db2.gz IKMQNXWMBKNPCH-UHFFFAOYSA-N 0 1 259.752 3.576 20 0 CHADMN COc1cc(CN2[C@@H](C)CCC[C@@H]2C)c(Cl)cn1 ZINC001238360606 1131193063 /nfs/dbraw/zinc/19/30/63/1131193063.db2.gz MSVMCSHSSSQHRS-QWRGUYRKSA-N 0 1 268.788 3.507 20 0 CHADMN CCCC1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)CC1 ZINC001117713343 1131194063 /nfs/dbraw/zinc/19/40/63/1131194063.db2.gz PHUPLUJCGDASPA-UHFFFAOYSA-N 0 1 297.402 3.729 20 0 CHADMN CCCO[C@@H]1CCN(Cc2ccc(OCC)cc2Cl)C1 ZINC001238400936 1131195279 /nfs/dbraw/zinc/19/52/79/1131195279.db2.gz VDJSZNMWZOFFIM-OAHLLOKOSA-N 0 1 297.826 3.740 20 0 CHADMN CCOc1ccc(CN2CCC3(CC3)C2)c(Cl)c1 ZINC001238394406 1131195836 /nfs/dbraw/zinc/19/58/36/1131195836.db2.gz IYGVLFTWZMPSEY-UHFFFAOYSA-N 0 1 265.784 3.725 20 0 CHADMN Cc1cccc(CN(C)Cc2ncc(C)cc2C)c1 ZINC001238425745 1131198940 /nfs/dbraw/zinc/19/89/40/1131198940.db2.gz IMWVGHIAFJIGQH-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1ncc(C)cc1C)CC2 ZINC001238427085 1131199473 /nfs/dbraw/zinc/19/94/73/1131199473.db2.gz QQNAASMAUSACIO-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN CSCCN(C)Cc1ccc(Cl)c(C)c1F ZINC001238521050 1131213861 /nfs/dbraw/zinc/21/38/61/1131213861.db2.gz GGOVIBTWFXPPBI-UHFFFAOYSA-N 0 1 261.793 3.582 20 0 CHADMN CO[C@H]1CCN(Cc2cccc(OC(C)C)c2F)[C@@H](C)C1 ZINC001238435091 1131200168 /nfs/dbraw/zinc/20/01/68/1131200168.db2.gz QODULRCJULBKIE-ZFWWWQNUSA-N 0 1 295.398 3.612 20 0 CHADMN COc1ccccc1C1(NCc2ccncc2C)CCC1 ZINC001117790634 1131200771 /nfs/dbraw/zinc/20/07/71/1131200771.db2.gz CYPMKKBFJRCMTR-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN CC(C)Oc1ccc(CN2CC[C@@H](OC(C)C)C2)c(F)c1 ZINC001238447461 1131202352 /nfs/dbraw/zinc/20/23/52/1131202352.db2.gz FXKDFMFEIJGKTC-MRXNPFEDSA-N 0 1 295.398 3.612 20 0 CHADMN CCO[C@@H]1CCCN(Cc2ccc(F)c(OC(C)C)c2)C1 ZINC001238460557 1131203997 /nfs/dbraw/zinc/20/39/97/1131203997.db2.gz NTBIKYXXEOZBKE-OAHLLOKOSA-N 0 1 295.398 3.614 20 0 CHADMN Cc1ccc(OC(C)C)cc1CN1CCCC(=O)[C@H](C)C1 ZINC001238476050 1131206512 /nfs/dbraw/zinc/20/65/12/1131206512.db2.gz KQDXKIMRQZEITJ-OAHLLOKOSA-N 0 1 289.419 3.583 20 0 CHADMN COc1c(CN2CCC3(CCCC3)C2)ccc(F)c1F ZINC001238478051 1131206560 /nfs/dbraw/zinc/20/65/60/1131206560.db2.gz UBWMCVCTMPZOMG-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ncc(OC)cc1Cl ZINC001238487631 1131208172 /nfs/dbraw/zinc/20/81/72/1131208172.db2.gz MNIMETRBIHCDSI-LLVKDONJSA-N 0 1 268.788 3.508 20 0 CHADMN Cc1c(Cl)ccc(CN2CCC3(CC3)C2)c1F ZINC001238512886 1131212327 /nfs/dbraw/zinc/21/23/27/1131212327.db2.gz QJNDXPVTAMGAJT-UHFFFAOYSA-N 0 1 253.748 3.773 20 0 CHADMN Cc1c(Cl)ccc(CN2CCC3(C2)CCOCC3)c1F ZINC001238520232 1131214005 /nfs/dbraw/zinc/21/40/05/1131214005.db2.gz XLMSJKHZOLLALV-UHFFFAOYSA-N 0 1 297.801 3.790 20 0 CHADMN CC(C)Oc1c(F)ccc(CN2C[C@@H]3CCC[C@H]3C2)c1F ZINC001238527283 1131214104 /nfs/dbraw/zinc/21/41/04/1131214104.db2.gz JMAKBSSWDCGJMH-STQMWFEESA-N 0 1 295.373 3.984 20 0 CHADMN Cc1cc(F)cc(Br)c1CN1CCC[C@@H]1C ZINC001238567996 1131217698 /nfs/dbraw/zinc/21/76/98/1131217698.db2.gz XPPVBZIZVFQBGA-JTQLQIEISA-N 0 1 286.188 3.881 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCC12CCCC2 ZINC001137656721 1131219914 /nfs/dbraw/zinc/21/99/14/1131219914.db2.gz UTJHBMOXXJEDPB-UHFFFAOYSA-N 0 1 253.748 3.998 20 0 CHADMN CC(C)Oc1cc(CN2CCC[C@H](C)CC2)cnc1F ZINC001238605490 1131220822 /nfs/dbraw/zinc/22/08/22/1131220822.db2.gz JVPQTTXXLYCHFW-ZDUSSCGKSA-N 0 1 280.387 3.630 20 0 CHADMN Clc1cnc(-c2ccccc2)cc1CN1C[C@@H]2C[C@@H]2C1 ZINC001238624897 1131224351 /nfs/dbraw/zinc/22/43/51/1131224351.db2.gz NZANXZPKUWQMCI-OKILXGFUSA-N 0 1 284.790 3.854 20 0 CHADMN Cc1cnc(-c2ccccc2)c(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001238620350 1131224370 /nfs/dbraw/zinc/22/43/70/1131224370.db2.gz WJOWNABCOUTINA-IYBDPMFKSA-N 0 1 296.414 3.666 20 0 CHADMN CSc1cc(C)cc(CN2C[C@@H](C)[C@@H](F)C2)c1 ZINC001238674010 1131229953 /nfs/dbraw/zinc/22/99/53/1131229953.db2.gz AYJSATLFQUERON-RISCZKNCSA-N 0 1 253.386 3.507 20 0 CHADMN ClC1(Cl)C[C@H]1CCN1CCC=C(c2ccco2)C1 ZINC000823116245 1131415343 /nfs/dbraw/zinc/41/53/43/1131415343.db2.gz SLNVRIJPJTWCLI-GFCCVEGCSA-N 0 1 286.202 3.953 20 0 CHADMN C[C@H]1CN(Cc2scnc2Cl)CCC[C@@H]1C ZINC001137817418 1131419194 /nfs/dbraw/zinc/41/91/94/1131419194.db2.gz SOIRXELKKKORSV-UWVGGRQHSA-N 0 1 258.818 3.665 20 0 CHADMN Cc1ccccc1C1(NCc2cnc(Cl)s2)CC1 ZINC000829495983 1131422356 /nfs/dbraw/zinc/42/23/56/1131422356.db2.gz YJNOQWSBYBROFW-UHFFFAOYSA-N 0 1 278.808 3.884 20 0 CHADMN C[C@H]1CCC[C@H](N(C)Cc2ccnc(Cl)c2F)C1 ZINC000823399381 1131424796 /nfs/dbraw/zinc/42/47/96/1131424796.db2.gz BPZONRQGAVIBKC-JQWIXIFHSA-N 0 1 270.779 3.885 20 0 CHADMN Fc1cc(CN2CCC[C@H]2Cc2ccccc2)c(F)cn1 ZINC000823395145 1131424849 /nfs/dbraw/zinc/42/48/49/1131424849.db2.gz MTJUPNUOGMVBIF-HNNXBMFYSA-N 0 1 288.341 3.567 20 0 CHADMN Fc1c(CN2CCC[C@H]2C2CCC2)ccnc1Cl ZINC000823428363 1131425896 /nfs/dbraw/zinc/42/58/96/1131425896.db2.gz GBHXHZITQMYYIQ-LBPRGKRZSA-N 0 1 268.763 3.639 20 0 CHADMN C[C@H](N(C)Cc1ccnc(Cl)c1F)C(C)(C)C ZINC000823404548 1131425971 /nfs/dbraw/zinc/42/59/71/1131425971.db2.gz SBNBTHLNBKYITB-VIFPVBQESA-N 0 1 258.768 3.741 20 0 CHADMN CCO[C@@H]1C[C@@H](NCc2ncc(C(C)C)o2)C12CCCC2 ZINC000829630001 1131427299 /nfs/dbraw/zinc/42/72/99/1131427299.db2.gz YJXPLIZRBMPKTI-HUUCEWRRSA-N 0 1 292.423 3.625 20 0 CHADMN CN(CCc1cccs1)Cc1cc(F)cc(F)c1F ZINC001137872205 1131427335 /nfs/dbraw/zinc/42/73/35/1131427335.db2.gz GSIBFHGYMHMLIM-UHFFFAOYSA-N 0 1 285.334 3.840 20 0 CHADMN CCCC[C@](C)(F)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000829654607 1131427560 /nfs/dbraw/zinc/42/75/60/1131427560.db2.gz FOMZMDGICDYNPH-INIZCTEOSA-N 0 1 298.377 3.744 20 0 CHADMN Fc1cc(CN2CCC3(C2)CCCCC3)c(F)cn1 ZINC000823464358 1131428225 /nfs/dbraw/zinc/42/82/25/1131428225.db2.gz AAAFJROXKVYDLH-UHFFFAOYSA-N 0 1 266.335 3.516 20 0 CHADMN CN(CCc1cccs1)Cc1ccnc(Cl)c1F ZINC000823471194 1131429190 /nfs/dbraw/zinc/42/91/90/1131429190.db2.gz QMFRUVYTKBAVOB-UHFFFAOYSA-N 0 1 284.787 3.610 20 0 CHADMN Fc1cc(F)c(CN2CC[C@H]3CCC[C@H]3C2)cc1F ZINC001137886103 1131429570 /nfs/dbraw/zinc/42/95/70/1131429570.db2.gz FAPKUMKQXQFENA-MNOVXSKESA-N 0 1 269.310 3.726 20 0 CHADMN Fc1cc(F)c(CN2CC[C@@H]3CCC[C@@H]3C2)cc1F ZINC001137886105 1131430302 /nfs/dbraw/zinc/43/03/02/1131430302.db2.gz FAPKUMKQXQFENA-WDEREUQCSA-N 0 1 269.310 3.726 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc(Cl)c1N ZINC001160271525 1131433529 /nfs/dbraw/zinc/43/35/29/1131433529.db2.gz ADWKIPQAVGLSFQ-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Fc1ccc(F)c(CN2C[C@@H]3CCCC[C@H]3C2)c1F ZINC001137927037 1131437526 /nfs/dbraw/zinc/43/75/26/1131437526.db2.gz KZPNOFANTNEBPB-QWRGUYRKSA-N 0 1 269.310 3.726 20 0 CHADMN Fc1ccc(CN2CC[C@@H]3CCC[C@H]3C2)c(F)c1F ZINC001137935897 1131438900 /nfs/dbraw/zinc/43/89/00/1131438900.db2.gz OUKFOVOXINZOPW-QWRGUYRKSA-N 0 1 269.310 3.726 20 0 CHADMN Cc1ccoc1CN(C)C[C@]1(C)CC1(Cl)Cl ZINC000830002167 1131440847 /nfs/dbraw/zinc/44/08/47/1131440847.db2.gz DFESMJAEABJVHB-NSHDSACASA-N 0 1 262.180 3.604 20 0 CHADMN C[C@@H](C(=O)NCC1(C2CCCCC2)CCCCC1)N(C)C ZINC001137954896 1131440897 /nfs/dbraw/zinc/44/08/97/1131440897.db2.gz YEQKFSVHXSJJBT-HNNXBMFYSA-N 0 1 294.483 3.584 20 0 CHADMN Fc1c(Cl)cccc1CN1CCC[C@@H](F)CC1 ZINC001137958003 1131441947 /nfs/dbraw/zinc/44/19/47/1131441947.db2.gz ZXTGPNWQLGWPMD-LLVKDONJSA-N 0 1 259.727 3.803 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@H]1NCc1ccnc(Cl)c1F ZINC000823790325 1131443278 /nfs/dbraw/zinc/44/32/78/1131443278.db2.gz YDDLEJQTOJBRSE-BMIGLBTASA-N 0 1 290.769 3.897 20 0 CHADMN Cc1ccc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(F)c1F ZINC001137966026 1131443791 /nfs/dbraw/zinc/44/37/91/1131443791.db2.gz KPUVWJMRWQJEGQ-TXEJJXNPSA-N 0 1 287.300 3.750 20 0 CHADMN Cc1ccc(CN2CC[C@@H](c3cccnc3)C2)c(F)c1F ZINC001137968488 1131443973 /nfs/dbraw/zinc/44/39/73/1131443973.db2.gz HHNCXSVGAWSHSK-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN CCC[C@@H](N[C@@H](CC(C)C)C(=O)OCC)C1CCC1 ZINC001171036230 1131446195 /nfs/dbraw/zinc/44/61/95/1131446195.db2.gz NNKBTNWLAVQNDN-CABCVRRESA-N 0 1 269.429 3.523 20 0 CHADMN C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc(Cl)c(O)c1 ZINC001136791746 1131446529 /nfs/dbraw/zinc/44/65/29/1131446529.db2.gz ZUHPJDWTOHAALA-NEPJUHHUSA-N 0 1 295.810 3.992 20 0 CHADMN C[C@@H]1CC/C(=C/C(=O)Nc2cccc3c2CN(C2CC2)C3)C1 ZINC001137992651 1131448049 /nfs/dbraw/zinc/44/80/49/1131448049.db2.gz FWPUGEDALPPLGJ-JFBXQDQPSA-N 0 1 296.414 3.850 20 0 CHADMN COCCN(Cc1cccc(C(F)(F)F)c1F)C(C)C ZINC001138011084 1131450124 /nfs/dbraw/zinc/45/01/24/1131450124.db2.gz MMSYMRKZAPCCAO-UHFFFAOYSA-N 0 1 293.304 3.701 20 0 CHADMN C[C@H](N[C@H]1CCc2cc(F)c(F)c(F)c21)c1ccc[nH]1 ZINC000824051166 1131451584 /nfs/dbraw/zinc/45/15/84/1131451584.db2.gz SQZUFSDVNVJZTN-UFBFGSQYSA-N 0 1 280.293 3.770 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2ccnc(Cl)c2F)C1 ZINC000824153076 1131457033 /nfs/dbraw/zinc/45/70/33/1131457033.db2.gz AMRUKXMMNPIKEQ-NSHDSACASA-N 0 1 270.779 3.742 20 0 CHADMN Cc1ccc(Cl)c(CN2C[C@H]3CCCC(=O)[C@@H]3C2)c1F ZINC001138037064 1131457287 /nfs/dbraw/zinc/45/72/87/1131457287.db2.gz IXFJIALLUKNPSW-VXGBXAGGSA-N 0 1 295.785 3.589 20 0 CHADMN CC(=O)Oc1cccc(CN2CC[C@@H]2c2ccccc2)c1 ZINC001138043791 1131457718 /nfs/dbraw/zinc/45/77/18/1131457718.db2.gz GZRDCJRZJXYZLV-GOSISDBHSA-N 0 1 281.355 3.559 20 0 CHADMN CN(Cc1cscn1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171049216 1131457818 /nfs/dbraw/zinc/45/78/18/1131457818.db2.gz HGWQIPSTOJLIFK-CYBMUJFWSA-N 0 1 292.835 3.786 20 0 CHADMN Cc1nc[nH]c1C(=O)N(CC(C)C)c1ccc(C)cc1C ZINC000824167394 1131458214 /nfs/dbraw/zinc/45/82/14/1131458214.db2.gz ASUJXTODAKFBIS-UHFFFAOYSA-N 0 1 285.391 3.638 20 0 CHADMN Cc1ccccc1C[C@@H](C)N(C)Cc1cc(F)ncc1F ZINC000824296471 1131461742 /nfs/dbraw/zinc/46/17/42/1131461742.db2.gz FCOGCXBYFUFAEO-CYBMUJFWSA-N 0 1 290.357 3.731 20 0 CHADMN C[C@@]1(O)CCCCN(Cc2cc3c(cccc3Cl)[nH]2)C1 ZINC001136856299 1131461945 /nfs/dbraw/zinc/46/19/45/1131461945.db2.gz FTMNAXJRQAPMFJ-MRXNPFEDSA-N 0 1 292.810 3.558 20 0 CHADMN COCCC1CCN(Cc2c(F)ccc(C)c2F)CC1 ZINC001138118261 1131468888 /nfs/dbraw/zinc/46/88/88/1131468888.db2.gz GAKYCFSXCTUYGD-UHFFFAOYSA-N 0 1 283.362 3.522 20 0 CHADMN Cc1ccc(C2(NCc3ccc(F)cn3)CCC2)cc1 ZINC000830816629 1131469546 /nfs/dbraw/zinc/46/95/46/1131469546.db2.gz IOXFMFHATBKEKU-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN CCN(Cc1cn2ccccc2n1)Cc1ccc(C)c(C)c1 ZINC001136882848 1131470575 /nfs/dbraw/zinc/47/05/75/1131470575.db2.gz JZVWWXGZDKSKHP-UHFFFAOYSA-N 0 1 293.414 3.973 20 0 CHADMN C[C@@H]1CN(Cc2cncc3ccccc32)CC2(CCCC2)O1 ZINC000830861918 1131470725 /nfs/dbraw/zinc/47/07/25/1131470725.db2.gz YHZSCPAHHUQSGS-OAHLLOKOSA-N 0 1 296.414 3.768 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1cn2ccccc2n1 ZINC001136882064 1131470718 /nfs/dbraw/zinc/47/07/18/1131470718.db2.gz ZSEGVLAKRJIOIV-KRWDZBQOSA-N 0 1 279.387 3.917 20 0 CHADMN C[C@H]1CN(Cc2cncc3ccccc32)CC2(CCCC2)O1 ZINC000830861917 1131471228 /nfs/dbraw/zinc/47/12/28/1131471228.db2.gz YHZSCPAHHUQSGS-HNNXBMFYSA-N 0 1 296.414 3.768 20 0 CHADMN Cc1ccn2c(CN3CCc4c(C)cccc4C3)cnc2c1 ZINC001136884985 1131473133 /nfs/dbraw/zinc/47/31/33/1131473133.db2.gz AATRWQPFKXDFTP-UHFFFAOYSA-N 0 1 291.398 3.509 20 0 CHADMN Clc1cc2c(cc1CN1C3CCCC1CCC3)OCO2 ZINC001138245965 1131481561 /nfs/dbraw/zinc/48/15/61/1131481561.db2.gz GIJWZJLMQNZRCR-UHFFFAOYSA-N 0 1 293.794 3.976 20 0 CHADMN C[C@]1(CNCc2c(F)cccc2F)CC1(Cl)Cl ZINC000824757941 1131484962 /nfs/dbraw/zinc/48/49/62/1131484962.db2.gz AUBGNVXJOZLTKC-LLVKDONJSA-N 0 1 280.145 3.638 20 0 CHADMN Cc1cccn2c(CN3CC[C@H](C)C(F)(F)CC3)cnc12 ZINC001136958143 1131488497 /nfs/dbraw/zinc/48/84/97/1131488497.db2.gz ADNDEQPFNWYYAO-ZDUSSCGKSA-N 0 1 293.361 3.510 20 0 CHADMN Cc1ccc2c(CN3CCC(=O)[C@H]4CCCC[C@H]43)c[nH]c2c1 ZINC001136969338 1131488946 /nfs/dbraw/zinc/48/89/46/1131488946.db2.gz MDMUHKYPLWPJIY-FUHWJXTLSA-N 0 1 296.414 3.810 20 0 CHADMN CC(C)(C)c1[nH]c2ccccc2c1CN1CCCC12COC2 ZINC001138313636 1131489110 /nfs/dbraw/zinc/48/91/10/1131489110.db2.gz XTKXWGFWAJDHCW-UHFFFAOYSA-N 0 1 298.430 3.830 20 0 CHADMN Brc1ccoc1CN1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000824941041 1131489282 /nfs/dbraw/zinc/48/92/82/1131489282.db2.gz HVMLLGGFMPODEY-BXUZGUMPSA-N 0 1 296.208 3.663 20 0 CHADMN CN(Cc1c2ccccc2[nH]c1C(C)(C)C)C1(C)COC1 ZINC001138315133 1131489761 /nfs/dbraw/zinc/48/97/61/1131489761.db2.gz VGSRWMLPYDPKLQ-UHFFFAOYSA-N 0 1 286.419 3.686 20 0 CHADMN Brc1ccoc1CN1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000824941045 1131490248 /nfs/dbraw/zinc/49/02/48/1131490248.db2.gz HVMLLGGFMPODEY-RISCZKNCSA-N 0 1 296.208 3.663 20 0 CHADMN COc1c(F)ccc(CN2CC[C@@H](C)C[C@@H]2C)c1F ZINC001143322083 1131496082 /nfs/dbraw/zinc/49/60/82/1131496082.db2.gz UGOOGQUNAXRMIQ-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN Cc1c2ccccc2[nH]c1CN1CCCC[C@@H](F)C1 ZINC001138397194 1131498304 /nfs/dbraw/zinc/49/83/04/1131498304.db2.gz MFZAVXJAWMTLQX-CYBMUJFWSA-N 0 1 260.356 3.800 20 0 CHADMN CCCCC[NH+](CCCCC)Cc1ncccc1[O-] ZINC001138394120 1131498638 /nfs/dbraw/zinc/49/86/38/1131498638.db2.gz FSPVFGOACFGZOA-UHFFFAOYSA-N 0 1 264.413 3.970 20 0 CHADMN Cc1c2ccccc2[nH]c1CN1CCCCC12CC2 ZINC001138399437 1131498770 /nfs/dbraw/zinc/49/87/70/1131498770.db2.gz DMRHRPGXUXYNLB-UHFFFAOYSA-N 0 1 254.377 3.995 20 0 CHADMN COc1c(F)cc(CN(C)Cc2ccccc2)cc1F ZINC001138420777 1131503101 /nfs/dbraw/zinc/50/31/01/1131503101.db2.gz QQXOCVBLNKMCGM-UHFFFAOYSA-N 0 1 277.314 3.605 20 0 CHADMN COc1c(C)cc(CN2CCC[C@](C)(F)C2)cc1C ZINC001138425981 1131503570 /nfs/dbraw/zinc/50/35/70/1131503570.db2.gz SADIVCSCOGYRME-INIZCTEOSA-N 0 1 265.372 3.636 20 0 CHADMN CCCC1CCN(Cc2cc(F)c(OC)c(F)c2)CC1 ZINC001138424483 1131504023 /nfs/dbraw/zinc/50/40/23/1131504023.db2.gz XIOIJTNQXHFZSL-UHFFFAOYSA-N 0 1 283.362 3.986 20 0 CHADMN COc1c(F)cc(CN2CCC[C@H]3CCC[C@H]32)cc1F ZINC001138425516 1131504150 /nfs/dbraw/zinc/50/41/50/1131504150.db2.gz WDWFOILSNOLBBW-IUODEOHRSA-N 0 1 281.346 3.738 20 0 CHADMN COc1c(C)cc(CN2CCc3ccsc3C2)cc1C ZINC001138430871 1131505296 /nfs/dbraw/zinc/50/52/96/1131505296.db2.gz POALTMBWTWYUDV-UHFFFAOYSA-N 0 1 287.428 3.932 20 0 CHADMN CCOc1ccc2ccccc2c1CN1CC2(CSC2)C1 ZINC001138444804 1131507230 /nfs/dbraw/zinc/50/72/30/1131507230.db2.gz IDIHRENSLCRHNM-UHFFFAOYSA-N 0 1 299.439 3.787 20 0 CHADMN CC(C)N(Cc1cc(F)ncc1F)C1CC(C)(C)C1 ZINC000825331573 1131507948 /nfs/dbraw/zinc/50/79/48/1131507948.db2.gz IYTNCJAAPUYERL-UHFFFAOYSA-N 0 1 268.351 3.759 20 0 CHADMN Cc1c2ccccc2sc1CN(C)Cc1cnccn1 ZINC001138460081 1131508568 /nfs/dbraw/zinc/50/85/68/1131508568.db2.gz CZLNSBHEYFFWLQ-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN CCOCC1CCN(Cc2ccc(OC)c(Cl)c2)CC1 ZINC001138475032 1131510463 /nfs/dbraw/zinc/51/04/63/1131510463.db2.gz MWTQAUNFZBRUSO-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN COc1ccc(Cl)cc1CN1CCC[C@H](F)CC1 ZINC001138479645 1131511962 /nfs/dbraw/zinc/51/19/62/1131511962.db2.gz BXURMBILMBHJAU-ZDUSSCGKSA-N 0 1 271.763 3.673 20 0 CHADMN CN(CCF)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171090794 1131514028 /nfs/dbraw/zinc/51/40/28/1131514028.db2.gz KENFREWUKUJMGW-LLVKDONJSA-N 0 1 276.182 3.752 20 0 CHADMN COc1ccc2[nH]cc(CN(C)Cc3cccnc3C)c2c1 ZINC001138511444 1131515291 /nfs/dbraw/zinc/51/52/91/1131515291.db2.gz GTUTUWFGNZTHIZ-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN CCCc1ccc(CN(CCO)Cc2cccs2)s1 ZINC001138525708 1131516298 /nfs/dbraw/zinc/51/62/98/1131516298.db2.gz IUJPNBNBHDQSBH-UHFFFAOYSA-N 0 1 295.473 3.757 20 0 CHADMN COc1ccc(F)c(CN2C[C@@H]3CCC[C@@H]3C2)c1Cl ZINC001143362775 1131516462 /nfs/dbraw/zinc/51/64/62/1131516462.db2.gz LJOKUPNAXXZBBZ-PHIMTYICSA-N 0 1 283.774 3.720 20 0 CHADMN CCCc1ccc(CN2CC3(C2)C[C@H](F)CS3)s1 ZINC001138528458 1131516923 /nfs/dbraw/zinc/51/69/23/1131516923.db2.gz ULFAYMHRBHKISC-NSHDSACASA-N 0 1 285.453 3.730 20 0 CHADMN Cc1ccc(Nc2ccc(C)c(C)c2N)c2cn[nH]c21 ZINC001160382901 1131520649 /nfs/dbraw/zinc/52/06/49/1131520649.db2.gz CZNQJHJLFYFICM-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN CC(C)c1cnc(CN2CCCc3ccccc3CC2)o1 ZINC000831920304 1131520817 /nfs/dbraw/zinc/52/08/17/1131520817.db2.gz DYLAGAIHSGRQGK-UHFFFAOYSA-N 0 1 284.403 3.789 20 0 CHADMN CC(C)c1nnc(CN2CCCCCCCC2)s1 ZINC000831937344 1131522230 /nfs/dbraw/zinc/52/22/30/1131522230.db2.gz PWTOMEVCUOJVMO-UHFFFAOYSA-N 0 1 267.442 3.818 20 0 CHADMN CC(=O)CCN1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000831981139 1131525502 /nfs/dbraw/zinc/52/55/02/1131525502.db2.gz BDMBIMSZDLCYLI-OAHLLOKOSA-N 0 1 265.784 3.846 20 0 CHADMN CCCn1ncc(CN2CCc3ccccc3[C@H]2C)c1C ZINC001138636813 1131530820 /nfs/dbraw/zinc/53/08/20/1131530820.db2.gz JIQTUWXVPNOOBF-OAHLLOKOSA-N 0 1 283.419 3.721 20 0 CHADMN FC1(F)CCC[C@H]1N[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171105556 1131533026 /nfs/dbraw/zinc/53/30/26/1131533026.db2.gz VCHVXSWLGKEIIG-UONOGXRCSA-N 0 1 285.765 3.975 20 0 CHADMN CCSc1ncc(CN2CCC(C(C)(C)C)CC2)cn1 ZINC001138650122 1131533145 /nfs/dbraw/zinc/53/31/45/1131533145.db2.gz QEAOHUKWMBQXHT-UHFFFAOYSA-N 0 1 293.480 3.847 20 0 CHADMN CCc1c(NC(=O)/C=C/C(C)(C)C)[nH]nc1-c1ccncc1 ZINC001143792830 1131534132 /nfs/dbraw/zinc/53/41/32/1131534132.db2.gz MCBVYLRFWUNRJH-RMKNXTFCSA-N 0 1 298.390 3.575 20 0 CHADMN Fc1ccc(Cl)c(CN2C[C@H]3[C@H](CCC3(F)F)C2)c1 ZINC001138672259 1131534940 /nfs/dbraw/zinc/53/49/40/1131534940.db2.gz VZZCECTZWAZBKK-SKDRFNHKSA-N 0 1 289.728 3.956 20 0 CHADMN F[C@@H]1CN(Cc2c(Cl)[nH]c3ccccc32)C[C@@H]2C[C@@H]21 ZINC001138685752 1131536775 /nfs/dbraw/zinc/53/67/75/1131536775.db2.gz ISDONIREIAQYOO-XHVZSJERSA-N 0 1 278.758 3.611 20 0 CHADMN CC[C@@H]1CCCN1Cc1cc(F)c(OC)c(Cl)c1 ZINC001143847284 1131537472 /nfs/dbraw/zinc/53/74/72/1131537472.db2.gz HBJQAFFBLBONAO-LLVKDONJSA-N 0 1 271.763 3.862 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(C(C)(C)O)cc2)cc1F ZINC000844230074 1131539919 /nfs/dbraw/zinc/53/99/19/1131539919.db2.gz VZAJKMVQEYOYDF-UHFFFAOYSA-N 0 1 287.378 3.782 20 0 CHADMN CC[C@@H](O)c1cccc(-c2ccc(CN(C)C)c(F)c2)c1 ZINC000844229928 1131539939 /nfs/dbraw/zinc/53/99/39/1131539939.db2.gz TWOQVWNYGOEZRV-GOSISDBHSA-N 0 1 287.378 3.998 20 0 CHADMN Cc1cccc(Cl)c1CN1C[C@@H](C)C[C@H]1CF ZINC001138717583 1131540159 /nfs/dbraw/zinc/54/01/59/1131540159.db2.gz BHDUPXWIGQIUDP-JQWIXIFHSA-N 0 1 255.764 3.828 20 0 CHADMN COc1cc(C)c(CN2CCc3cccnc3C2)c(C)c1C ZINC001138725283 1131542532 /nfs/dbraw/zinc/54/25/32/1131542532.db2.gz SQUGQUYNIAMWRK-UHFFFAOYSA-N 0 1 296.414 3.574 20 0 CHADMN C[C@@H]1CCCN(Cc2ccnc(Br)c2)C[C@@H]1C ZINC001138731412 1131543693 /nfs/dbraw/zinc/54/36/93/1131543693.db2.gz RTYYAXQGSKXKJD-NEPJUHHUSA-N 0 1 297.240 3.712 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1cnc2[nH]ccc2c1 ZINC001138738508 1131544630 /nfs/dbraw/zinc/54/46/30/1131544630.db2.gz VGCZNGPGEMQKEI-CYBMUJFWSA-N 0 1 295.386 3.765 20 0 CHADMN CC[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2OC)C1 ZINC001138750396 1131545917 /nfs/dbraw/zinc/54/59/17/1131545917.db2.gz OQBRANNTZYZOFH-LLVKDONJSA-N 0 1 283.799 3.589 20 0 CHADMN CC[C@](C)(NCc1cc2n(n1)CCCC2)c1ccccc1 ZINC000844311996 1131546248 /nfs/dbraw/zinc/54/62/48/1131546248.db2.gz HVIYIUMFRXSCQO-SFHVURJKSA-N 0 1 283.419 3.634 20 0 CHADMN CCCCc1ccc(CN2CCN(C3CCC3)CC2)s1 ZINC001138753445 1131546320 /nfs/dbraw/zinc/54/63/20/1131546320.db2.gz SAHNCNTXEHCPJH-UHFFFAOYSA-N 0 1 292.492 3.761 20 0 CHADMN Oc1cccc2c1CCN(Cc1ccc3occc3c1)C2 ZINC001138822944 1131552537 /nfs/dbraw/zinc/55/25/37/1131552537.db2.gz UITVHUZSDWUFLF-UHFFFAOYSA-N 0 1 279.339 3.697 20 0 CHADMN COc1ccc(CN2CCC[C@H](C)[C@@H]2C)c(F)c1F ZINC001143910773 1131552557 /nfs/dbraw/zinc/55/25/57/1131552557.db2.gz MAMTZARWWDYRKJ-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN COc1ccc(CN2CC[C@H]3CCCC[C@@H]3C2)c(F)c1F ZINC001143915355 1131554019 /nfs/dbraw/zinc/55/40/19/1131554019.db2.gz FONYIXLTKXEYBN-CHWSQXEVSA-N 0 1 295.373 3.986 20 0 CHADMN CC[C@H]1COC(C)(C)CN1Cc1cncc2ccccc21 ZINC000844387815 1131556117 /nfs/dbraw/zinc/55/61/17/1131556117.db2.gz TVUBGLDCKNLMJD-INIZCTEOSA-N 0 1 284.403 3.624 20 0 CHADMN CCOc1ccc(F)c(CN2C[C@@H](C)C[C@H](C)C2)c1F ZINC001143943265 1131556881 /nfs/dbraw/zinc/55/68/81/1131556881.db2.gz VJANDUBSIWOYOJ-RYUDHWBXSA-N 0 1 283.362 3.841 20 0 CHADMN Fc1cnc(Cl)c(CN2CC[C@@H](c3ccccc3)C2)c1 ZINC001138891295 1131558164 /nfs/dbraw/zinc/55/81/64/1131558164.db2.gz SVHXCYVQEFDYSL-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN Clc1c2cc[nH]c2ncc1CN1CCC12CCCC2 ZINC001138929308 1131560771 /nfs/dbraw/zinc/56/07/71/1131560771.db2.gz RFHSWHXYDSDQFL-UHFFFAOYSA-N 0 1 275.783 3.686 20 0 CHADMN CN(CCF)Cc1ccc2c(c1)c1ccccc1n2C ZINC001138920421 1131561025 /nfs/dbraw/zinc/56/10/25/1131561025.db2.gz PTNVECVGQAFWTB-UHFFFAOYSA-N 0 1 270.351 3.733 20 0 CHADMN CCCOc1ccccc1CN1CCC(F)(F)CC1 ZINC001139000457 1131569764 /nfs/dbraw/zinc/56/97/64/1131569764.db2.gz QSACWCUHASNTKL-UHFFFAOYSA-N 0 1 269.335 3.707 20 0 CHADMN CCOc1c(F)cc(CN2C[C@H](C)C[C@@H](C)C2)cc1F ZINC001144030594 1131570334 /nfs/dbraw/zinc/57/03/34/1131570334.db2.gz GACGAGYUSQPPEA-VXGBXAGGSA-N 0 1 283.362 3.841 20 0 CHADMN CO[C@H](C)C1CN(Cc2ccccc2Oc2ccccc2)C1 ZINC001139054803 1131576915 /nfs/dbraw/zinc/57/69/15/1131576915.db2.gz DSHOIKITGNZANF-OAHLLOKOSA-N 0 1 297.398 3.946 20 0 CHADMN COc1ccc(CN2CC[C@@H](C)C[C@H]2C)c(Cl)c1OC ZINC001139118279 1131582320 /nfs/dbraw/zinc/58/23/20/1131582320.db2.gz ROROWUKGLOKABM-VXGBXAGGSA-N 0 1 297.826 3.978 20 0 CHADMN CCn1ccc2ccc(CN3CCC[C@@H](F)C3)cc21 ZINC001139121547 1131583495 /nfs/dbraw/zinc/58/34/95/1131583495.db2.gz GNWMXALWMRYXJU-OAHLLOKOSA-N 0 1 260.356 3.595 20 0 CHADMN F[C@]1(c2ccccc2)C[C@H]1NCc1cccc2[nH]ccc21 ZINC001202900722 1131585981 /nfs/dbraw/zinc/58/59/81/1131585981.db2.gz BVDHFYZUFCMCAQ-MSOLQXFVSA-N 0 1 280.346 3.895 20 0 CHADMN CCn1ccc2c1cccc2CN1CCO[C@@H](C(C)C)C1 ZINC001139155314 1131587659 /nfs/dbraw/zinc/58/76/59/1131587659.db2.gz LRDBXQKTSSYILQ-GOSISDBHSA-N 0 1 286.419 3.518 20 0 CHADMN Cc1cccc2[nH]cc(CN3CCC(=O)[C@H]4CCCC[C@@H]43)c21 ZINC001139191935 1131593921 /nfs/dbraw/zinc/59/39/21/1131593921.db2.gz GMTYZPHTQZEMEH-RDJZCZTQSA-N 0 1 296.414 3.810 20 0 CHADMN Cc1ccc(CNc2nccn2C2CC2)c(Cl)c1 ZINC000844702379 1131594982 /nfs/dbraw/zinc/59/49/82/1131594982.db2.gz ZTSIVIZXIYOTDW-UHFFFAOYSA-N 0 1 261.756 3.792 20 0 CHADMN Cc1cccc2c1CN(Cc1[nH]nc3ccc(F)cc31)C2 ZINC001144191673 1131595821 /nfs/dbraw/zinc/59/58/21/1131595821.db2.gz WFXPUAVKDDRPPG-UHFFFAOYSA-N 0 1 281.334 3.526 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc3nsnc3c2)CCC1(F)F ZINC001139210062 1131597062 /nfs/dbraw/zinc/59/70/62/1131597062.db2.gz GGFGCLPOYRSLIK-SNVBAGLBSA-N 0 1 297.374 3.559 20 0 CHADMN C[C@@H]1CCN(Cc2ccc3nsnc3c2)CCC1(F)F ZINC001139210062 1131597065 /nfs/dbraw/zinc/59/70/65/1131597065.db2.gz GGFGCLPOYRSLIK-SNVBAGLBSA-N 0 1 297.374 3.559 20 0 CHADMN Cc1cc(Br)cc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001144218890 1131599368 /nfs/dbraw/zinc/59/93/68/1131599368.db2.gz QRVZADMXFTXRJV-FPMFFAJLSA-N 0 1 298.199 3.690 20 0 CHADMN CC[N@@H+](Cc1ccc2cc(O)ccc2c1)Cc1ccccn1 ZINC001139339384 1131602109 /nfs/dbraw/zinc/60/21/09/1131602109.db2.gz VSXYAKQVQBWKJF-UHFFFAOYSA-N 0 1 292.382 3.963 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1cccc(Cl)n1 ZINC001139552410 1131615387 /nfs/dbraw/zinc/61/53/87/1131615387.db2.gz WDANHBJFBLRWKR-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN c1coc(CN(Cc2cnc(-c3ccccc3)[nH]2)C2CC2)c1 ZINC001139556358 1131616504 /nfs/dbraw/zinc/61/65/04/1131616504.db2.gz DWCAKMUTHUKEKK-UHFFFAOYSA-N 0 1 293.370 3.834 20 0 CHADMN COc1ccc(CN2CC[C@@H]2C)c(OCc2ccccc2)c1 ZINC001139558845 1131617026 /nfs/dbraw/zinc/61/70/26/1131617026.db2.gz YMVMGZHKMHQFDG-HNNXBMFYSA-N 0 1 297.398 3.868 20 0 CHADMN CCc1cccc(CN2CCc3cccc(OC)c3C2)c1 ZINC001144318617 1131617309 /nfs/dbraw/zinc/61/73/09/1131617309.db2.gz GOCBJDFMDWXCPM-UHFFFAOYSA-N 0 1 281.399 3.816 20 0 CHADMN Cc1cnc(Cl)c(CN2CC[C@H](C)C[C@H]2C)c1 ZINC001139591220 1131618194 /nfs/dbraw/zinc/61/81/94/1131618194.db2.gz PJIYUUCYFZLFEX-CMPLNLGQSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1cc(C)c(NC([O-])=[NH+]c2ccnc3c2CCC3)c(C)c1 ZINC001202950814 1131618846 /nfs/dbraw/zinc/61/88/46/1131618846.db2.gz JBRSTIVAVACWCF-UHFFFAOYSA-N 0 1 295.386 3.561 20 0 CHADMN CCc1cccc(CN(C)Cc2cccc(OC)c2OC)c1 ZINC001144326824 1131619287 /nfs/dbraw/zinc/61/92/87/1131619287.db2.gz VOMYTMFHWWZSAC-UHFFFAOYSA-N 0 1 299.414 3.898 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccncc2)cc1Cl ZINC001139593315 1131619902 /nfs/dbraw/zinc/61/99/02/1131619902.db2.gz PNIAFGGMZJNAQV-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN CCOc1ccc(CN2C[C@@H]3C[C@H]2C[C@H]3F)cc1Cl ZINC001139596342 1131619921 /nfs/dbraw/zinc/61/99/21/1131619921.db2.gz WRSWLNLUISPYER-SGMGOOAPSA-N 0 1 283.774 3.671 20 0 CHADMN CCOc1ccc(CN2CC[C@@H](OC)C[C@H]2C)cc1Cl ZINC001139598708 1131620600 /nfs/dbraw/zinc/62/06/00/1131620600.db2.gz WCKCVDDMEHBAAE-TZMCWYRMSA-N 0 1 297.826 3.738 20 0 CHADMN COc1cc(CN2CCC[C@H](F)CC2)ccc1Cl ZINC001139612348 1131621846 /nfs/dbraw/zinc/62/18/46/1131621846.db2.gz WXLLEXIIMLGJHF-LBPRGKRZSA-N 0 1 271.763 3.673 20 0 CHADMN CCOc1ccncc1CN1CCC[C@@H]1c1ccccc1 ZINC001139629101 1131624445 /nfs/dbraw/zinc/62/44/45/1131624445.db2.gz MEEJQLWQTHOEBZ-QGZVFWFLSA-N 0 1 282.387 3.817 20 0 CHADMN Cc1cc(O)cc(C)c1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC001139713790 1131631660 /nfs/dbraw/zinc/63/16/60/1131631660.db2.gz IWBVRVUOYALIGD-IBGZPJMESA-N 0 1 297.398 3.583 20 0 CHADMN Cc1cc(O)cc(C)c1CN1CCO[C@H](c2ccccc2)C1 ZINC001139713790 1131631661 /nfs/dbraw/zinc/63/16/61/1131631661.db2.gz IWBVRVUOYALIGD-IBGZPJMESA-N 0 1 297.398 3.583 20 0 CHADMN c1ccc2c(c1)oc1ccc(CN3CCCC34COC4)cc12 ZINC001139754893 1131635837 /nfs/dbraw/zinc/63/58/37/1131635837.db2.gz VRJHGXWKJLFNPP-UHFFFAOYSA-N 0 1 293.366 3.951 20 0 CHADMN CN(Cc1ccncc1)Cc1ccccc1C(F)F ZINC001139795192 1131636882 /nfs/dbraw/zinc/63/68/82/1131636882.db2.gz BZPLEKXZQIREDB-UHFFFAOYSA-N 0 1 262.303 3.651 20 0 CHADMN Cc1ncccc1CN(C)Cc1ccccc1C(F)F ZINC001139803086 1131637754 /nfs/dbraw/zinc/63/77/54/1131637754.db2.gz YTSZLBDIOPJSBG-UHFFFAOYSA-N 0 1 276.330 3.960 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](Sc3ccncc3)C2)nc1 ZINC001139838825 1131639730 /nfs/dbraw/zinc/63/97/30/1131639730.db2.gz SVQSWRQVERJTEN-QGZVFWFLSA-N 0 1 299.443 3.542 20 0 CHADMN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](F)CC2)c1 ZINC001144478089 1131641296 /nfs/dbraw/zinc/64/12/96/1131641296.db2.gz ANJLUTQWBWBBTE-ZDUSSCGKSA-N 0 1 271.763 3.673 20 0 CHADMN COc1cc(Cl)cc(CN2CCC[C@H](F)CC2)c1 ZINC001144478089 1131641299 /nfs/dbraw/zinc/64/12/99/1131641299.db2.gz ANJLUTQWBWBBTE-ZDUSSCGKSA-N 0 1 271.763 3.673 20 0 CHADMN C[C@H]1CN(Cc2cc3ccccc3n2C)CCC1(F)F ZINC001139868066 1131642302 /nfs/dbraw/zinc/64/23/02/1131642302.db2.gz GGYNRUCCJICSHK-LBPRGKRZSA-N 0 1 278.346 3.655 20 0 CHADMN Cc1ncccc1CN(C)Cc1cc2ccccc2n1C ZINC001139872042 1131644441 /nfs/dbraw/zinc/64/44/41/1131644441.db2.gz CCPIVVQTWKJUBK-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN COc1cc(Cl)cc(CN2CCC[C@@H](CF)C2)c1 ZINC001144488634 1131645045 /nfs/dbraw/zinc/64/50/45/1131645045.db2.gz RBPLZYGBOPQUDX-NSHDSACASA-N 0 1 271.763 3.530 20 0 CHADMN FC1(F)CSC2(CN(Cc3ccccc3C3CC3)C2)C1 ZINC001139883118 1131645883 /nfs/dbraw/zinc/64/58/83/1131645883.db2.gz BVHUIGZAMQJGLL-UHFFFAOYSA-N 0 1 295.398 3.891 20 0 CHADMN C[C@@H]1CN(Cc2ccc(F)c3ccccc23)C[C@@H]1F ZINC001139890003 1131647739 /nfs/dbraw/zinc/64/77/39/1131647739.db2.gz NVKVOECXNIRNGL-BZNIZROVSA-N 0 1 261.315 3.769 20 0 CHADMN Cc1ccc(CN(C)Cc2cncc3ccccc32)cn1 ZINC001139899204 1131649684 /nfs/dbraw/zinc/64/96/84/1131649684.db2.gz VMZOGSULKYHQKY-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN c1ccc2cc(CN3CCC[C@H]3c3ccncc3)ncc2c1 ZINC001139997677 1131654742 /nfs/dbraw/zinc/65/47/42/1131654742.db2.gz IUMMAAXXNYDVHU-IBGZPJMESA-N 0 1 289.382 3.967 20 0 CHADMN CC[C@@H](Nc1ccc2nc[nH]c2n1)c1ccccc1C ZINC001171198455 1131655510 /nfs/dbraw/zinc/65/55/10/1131655510.db2.gz QNRUSZPFFDLOMJ-CYBMUJFWSA-N 0 1 266.348 3.830 20 0 CHADMN c1ccc([C@H]2CCCN2Cc2cc3ccccc3cn2)nc1 ZINC001139998301 1131655608 /nfs/dbraw/zinc/65/56/08/1131655608.db2.gz SILYRKBIHBRNCV-LJQANCHMSA-N 0 1 289.382 3.967 20 0 CHADMN [O-]c1cc(F)c(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c(F)c1 ZINC001144554874 1131655895 /nfs/dbraw/zinc/65/58/95/1131655895.db2.gz KMWLZUMLDMGYPV-BZNIZROVSA-N 0 1 281.346 3.825 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c(F)c1 ZINC001144554874 1131655898 /nfs/dbraw/zinc/65/58/98/1131655898.db2.gz KMWLZUMLDMGYPV-BZNIZROVSA-N 0 1 281.346 3.825 20 0 CHADMN c1ccc([C@@H]2CCCN2Cc2cc3ccccc3cn2)nc1 ZINC001139998300 1131656185 /nfs/dbraw/zinc/65/61/85/1131656185.db2.gz SILYRKBIHBRNCV-IBGZPJMESA-N 0 1 289.382 3.967 20 0 CHADMN COc1ccc2n[nH]c(CN(C)Cc3ccc(C)cc3)c2c1 ZINC001140066716 1131661282 /nfs/dbraw/zinc/66/12/82/1131661282.db2.gz FEGZQHUSZXGMIT-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN Oc1ccc(CN2C[C@H]3[C@H](CCC3(F)F)C2)c(Cl)c1 ZINC001140081980 1131662559 /nfs/dbraw/zinc/66/25/59/1131662559.db2.gz IHCZVMZWPZYRCW-SKDRFNHKSA-N 0 1 287.737 3.523 20 0 CHADMN C[C@H]1CCN1Cc1cnc(-c2ccc(F)cc2)s1 ZINC001140094360 1131662585 /nfs/dbraw/zinc/66/25/85/1131662585.db2.gz UXZRISMKJQBVSA-JTQLQIEISA-N 0 1 262.353 3.543 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(C(F)(F)F)ccn2)[C@@H]1C ZINC001140106263 1131663746 /nfs/dbraw/zinc/66/37/46/1131663746.db2.gz CZMYIAUJBBXVOS-GHMZBOCLSA-N 0 1 272.314 3.721 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1cc(C(F)(F)F)ccn1 ZINC001140109416 1131664404 /nfs/dbraw/zinc/66/44/04/1131664404.db2.gz MERXTTWQPZLRBB-CYBMUJFWSA-N 0 1 272.314 3.721 20 0 CHADMN c1nc(CN(Cc2ccccc2)C2CCC2)c2ccccn12 ZINC001144627212 1131667322 /nfs/dbraw/zinc/66/73/22/1131667322.db2.gz JOWYXIRGQDXLST-UHFFFAOYSA-N 0 1 291.398 3.889 20 0 CHADMN CC[C@@H](Nc1ccnc(CC(=O)OC)c1)c1ccccc1C ZINC001171202063 1131669006 /nfs/dbraw/zinc/66/90/06/1131669006.db2.gz YAYPPUYXFVDQRJ-QGZVFWFLSA-N 0 1 298.386 3.669 20 0 CHADMN CC(C)Oc1cccc(CNCc2cc3cnccc3o2)c1 ZINC000845923322 1131670959 /nfs/dbraw/zinc/67/09/59/1131670959.db2.gz BQCFWERCXPOZPI-UHFFFAOYSA-N 0 1 296.370 3.905 20 0 CHADMN Cc1cccc2c1CN(Cc1c[nH]c3cccc(O)c13)C2 ZINC001140229659 1131678958 /nfs/dbraw/zinc/67/89/58/1131678958.db2.gz DLCSIURWKHDGDW-UHFFFAOYSA-N 0 1 278.355 3.698 20 0 CHADMN CN(CCC(=O)OC(C)(C)C)Cc1ccc(Cl)s1 ZINC000042122297 1131679373 /nfs/dbraw/zinc/67/93/73/1131679373.db2.gz DXKRVBCKYRFCPM-UHFFFAOYSA-N 0 1 289.828 3.565 20 0 CHADMN CCCN(CCC)c1ccc(NCc2cncn2C)cc1 ZINC000846059269 1131680066 /nfs/dbraw/zinc/68/00/66/1131680066.db2.gz WDBYGQAKPMASAU-UHFFFAOYSA-N 0 1 286.423 3.659 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCCc3nc(C)ncc32)cs1 ZINC000834588393 1131685479 /nfs/dbraw/zinc/68/54/79/1131685479.db2.gz BEYYCBSKNZDYIE-XHDPSFHLSA-N 0 1 287.432 3.883 20 0 CHADMN CC(C)c1ncc(CN2CCC3(CC3(F)F)CC2)s1 ZINC000846055885 1131685788 /nfs/dbraw/zinc/68/57/88/1131685788.db2.gz YANLSIGLYLDOAE-UHFFFAOYSA-N 0 1 286.391 3.888 20 0 CHADMN FC1(F)C[C@@]12CCCN(Cc1cnc(C3CC3)s1)C2 ZINC000846110064 1131687624 /nfs/dbraw/zinc/68/76/24/1131687624.db2.gz YTHMRLRTBKXJQG-CYBMUJFWSA-N 0 1 284.375 3.642 20 0 CHADMN [O-]c1cnccc1C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001140276365 1131687848 /nfs/dbraw/zinc/68/78/48/1131687848.db2.gz AWANWOCUPFBGAD-INIZCTEOSA-N 0 1 282.387 3.557 20 0 CHADMN c1cc(CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)co1 ZINC000846116503 1131688089 /nfs/dbraw/zinc/68/80/89/1131688089.db2.gz CMXOPULMUQABML-BZSNNMDCSA-N 0 1 283.371 3.774 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@@H](c1ccccc1F)[C@@H](C)O ZINC000846184814 1131696903 /nfs/dbraw/zinc/69/69/03/1131696903.db2.gz VYTALCRDZUVMRU-ZNZDAUKMSA-N 0 1 299.389 3.833 20 0 CHADMN CCN(Cc1ccncc1)Cc1ccc2scnc2c1 ZINC001144732818 1131697099 /nfs/dbraw/zinc/69/70/99/1131697099.db2.gz NHDUQRUZLSYSQR-UHFFFAOYSA-N 0 1 283.400 3.713 20 0 CHADMN Cc1ccc2[nH]nc(CN3CCC[C@@H]4CCC[C@@H]43)c2c1 ZINC001140330031 1131699283 /nfs/dbraw/zinc/69/92/83/1131699283.db2.gz JPEMPWZQPZLEMH-GUYCJALGSA-N 0 1 269.392 3.636 20 0 CHADMN CN(Cc1cccnc1)Cc1cccc(-c2nccs2)c1 ZINC001140335685 1131701254 /nfs/dbraw/zinc/70/12/54/1131701254.db2.gz KFWVWYQGTOYAJL-UHFFFAOYSA-N 0 1 295.411 3.837 20 0 CHADMN C/C(=C\C[N@@H+](Cc1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000846237453 1131703061 /nfs/dbraw/zinc/70/30/61/1131703061.db2.gz OZGUDPPBQPNGGK-KPKJPENVSA-N 0 1 281.783 3.581 20 0 CHADMN CC(C)Cc1ccc(C[N@H+](C)[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000846274186 1131705356 /nfs/dbraw/zinc/70/53/56/1131705356.db2.gz IJNSFPWCWLBCMH-QGZVFWFLSA-N 0 1 291.435 3.816 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1 ZINC000846281562 1131705448 /nfs/dbraw/zinc/70/54/48/1131705448.db2.gz ZSTUNMIHMIXPSC-PBHICJAKSA-N 0 1 289.419 3.570 20 0 CHADMN CC(C)C1(N[C@H](C)c2nc(Br)cs2)CC1 ZINC000834811846 1131707282 /nfs/dbraw/zinc/70/72/82/1131707282.db2.gz XYLYWLGWHBMGRL-MRVPVSSYSA-N 0 1 289.242 3.745 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc(-c2ccccn2)cc1 ZINC001140377484 1131708888 /nfs/dbraw/zinc/70/88/88/1131708888.db2.gz YNMQHLRVVACUQZ-UHFFFAOYSA-N 0 1 289.382 3.776 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@H]2N[C@H]1CCn2ccnc21 ZINC000834833293 1131709153 /nfs/dbraw/zinc/70/91/53/1131709153.db2.gz YKHWXZDVZVHDKF-CVEARBPZSA-N 0 1 281.403 3.612 20 0 CHADMN CCCC[C@H](N[C@@H]1CCn2ccnc21)c1ccccc1 ZINC000834835669 1131709683 /nfs/dbraw/zinc/70/96/83/1131709683.db2.gz IIJAOBGXOOWJTQ-JKSUJKDBSA-N 0 1 269.392 3.849 20 0 CHADMN CC[C@H](C)[C@H](C)N(C(=O)c1cc(F)cc(F)c1O)C1CC1 ZINC001144848477 1131711727 /nfs/dbraw/zinc/71/17/27/1131711727.db2.gz BHVSHENONQHYRL-UWVGGRQHSA-N 0 1 297.345 3.710 20 0 CHADMN Fc1ccccc1-c1ncc(C[N@H+]2CCCCC23CC3)cn1 ZINC001140405421 1131714469 /nfs/dbraw/zinc/71/44/69/1131714469.db2.gz UJPCAHMSGWGXHO-UHFFFAOYSA-N 0 1 297.377 3.801 20 0 CHADMN CCOc1ccc(Cl)c(N[C@@H]2CCCc3[nH]ncc32)c1 ZINC000834879771 1131716581 /nfs/dbraw/zinc/71/65/81/1131716581.db2.gz WDFNCWGZZYETHX-CYBMUJFWSA-N 0 1 291.782 3.951 20 0 CHADMN CC(C)(C)c1ccc(NCCN2CCC(F)(F)CC2)nc1 ZINC001160753718 1131722574 /nfs/dbraw/zinc/72/25/74/1131722574.db2.gz UEULIEPYKAOWIK-UHFFFAOYSA-N 0 1 297.393 3.522 20 0 CHADMN CCc1ncc(CN[C@@H](c2cccs2)C2CC2)o1 ZINC000834898500 1131723160 /nfs/dbraw/zinc/72/31/60/1131723160.db2.gz FGTSKISCHFXHIJ-CQSZACIVSA-N 0 1 262.378 3.539 20 0 CHADMN Cc1cc(C)c(CN[C@@H]2CCc3nc(Cl)ccc32)cn1 ZINC000834902542 1131725693 /nfs/dbraw/zinc/72/56/93/1131725693.db2.gz IXHZRKIZCKJREC-CQSZACIVSA-N 0 1 287.794 3.524 20 0 CHADMN CCC[C@@H]1CCCC[C@@H]1Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227717152 1131728938 /nfs/dbraw/zinc/72/89/38/1131728938.db2.gz XMNGYQKKVNCHRQ-LOWVWBTDSA-N 0 1 292.379 3.511 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cnc3ccc(Cl)cn23)C[C@@H]1C ZINC001140429229 1131732927 /nfs/dbraw/zinc/73/29/27/1131732927.db2.gz KXIFQGIQBUNOAA-OLZOCXBDSA-N 0 1 291.826 3.856 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cnc3ccc(Cl)cn23)C[C@H]1C ZINC001140429231 1131733637 /nfs/dbraw/zinc/73/36/37/1131733637.db2.gz KXIFQGIQBUNOAA-QWHCGFSZSA-N 0 1 291.826 3.856 20 0 CHADMN C[C@H]1C(=O)CCN(Cc2ccc3c(c2)CCC3)C12CCCC2 ZINC001203036103 1131737495 /nfs/dbraw/zinc/73/74/95/1131737495.db2.gz WPIKFXDFSBVFDR-HNNXBMFYSA-N 0 1 297.442 3.899 20 0 CHADMN Cc1cccc(CN(C)Cc2nc(Cl)ccc2C)c1 ZINC001140440992 1131738400 /nfs/dbraw/zinc/73/84/00/1131738400.db2.gz DYZDWFVQKUPLGP-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1ccc(Cl)nc1CN(C)Cc1ccccc1 ZINC001140440782 1131739061 /nfs/dbraw/zinc/73/90/61/1131739061.db2.gz CMGNSZOOZGOQOW-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1ccc(Cl)nc1CN(C)CCOc1ccccc1 ZINC001140448030 1131741966 /nfs/dbraw/zinc/74/19/66/1131741966.db2.gz QHIFRWPJWJOZRX-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN C[C@@H](COCC1CC1)NCc1cccc(Cl)c1Cl ZINC001203039084 1131747449 /nfs/dbraw/zinc/74/74/49/1131747449.db2.gz NXIMYQSAMPASPM-JTQLQIEISA-N 0 1 288.218 3.898 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cnc(Cl)c(F)c1 ZINC000846852282 1131750818 /nfs/dbraw/zinc/75/08/18/1131750818.db2.gz XBVXFGHJEVOZEE-JTQLQIEISA-N 0 1 293.773 3.682 20 0 CHADMN CSc1ccccc1CN(C)Cc1ccc2nonc2c1 ZINC000846885666 1131755187 /nfs/dbraw/zinc/75/51/87/1131755187.db2.gz REUVZFVIAITKMK-UHFFFAOYSA-N 0 1 299.399 3.577 20 0 CHADMN CC1(C)CC[C@@H]1NCc1nc(-c2cccc(Cl)c2)no1 ZINC000846963193 1131765301 /nfs/dbraw/zinc/76/53/01/1131765301.db2.gz UGUJRSIZPXZGSI-LBPRGKRZSA-N 0 1 291.782 3.668 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccccc2C(=O)[O-])Cc2ccccc21 ZINC001140498455 1131767917 /nfs/dbraw/zinc/76/79/17/1131767917.db2.gz OFPDZPPSMOVZOQ-ZDUSSCGKSA-N 0 1 281.355 3.504 20 0 CHADMN C[C@H]1CN(Cc2cc(F)cc(Cl)c2)C2(CC2)C1 ZINC001140542929 1131787067 /nfs/dbraw/zinc/78/70/67/1131787067.db2.gz UFODFUUAJFLWRL-SNVBAGLBSA-N 0 1 253.748 3.854 20 0 CHADMN N[C@@H]1CCN(C2CCC3(CCCCC3)CC2)CC1(F)F ZINC001246833450 1131788024 /nfs/dbraw/zinc/78/80/24/1131788024.db2.gz FRVAAVIVUIFESM-CQSZACIVSA-N 0 1 286.410 3.548 20 0 CHADMN Cc1nc2cccc(C(=O)NCC[C@H]3CCCC[C@H]3C)c2[nH]1 ZINC001146708637 1131795181 /nfs/dbraw/zinc/79/51/81/1131795181.db2.gz HIAXOTWBWCNXTQ-TZMCWYRMSA-N 0 1 299.418 3.818 20 0 CHADMN CC[C@H](NCc1noc(-c2ccccc2C)n1)[C@@H]1CC1(C)C ZINC001171287818 1131798669 /nfs/dbraw/zinc/79/86/69/1131798669.db2.gz XKAUTHOWDNKQQS-GJZGRUSLSA-N 0 1 299.418 3.959 20 0 CHADMN C[C@@H]1CCN(Cc2csc3ccccc23)CCC1=O ZINC001140636927 1131835792 /nfs/dbraw/zinc/83/57/92/1131835792.db2.gz VSNGGFAKYWLJAA-GFCCVEGCSA-N 0 1 273.401 3.702 20 0 CHADMN C[C@@H]1CN(Cc2csc3ccccc23)CCCC1=O ZINC001140636454 1131836647 /nfs/dbraw/zinc/83/66/47/1131836647.db2.gz JYYXTVFTEDYHJZ-GFCCVEGCSA-N 0 1 273.401 3.702 20 0 CHADMN CN1CC[C@H](Oc2ccc3ccccc3c2Cl)C1 ZINC001228251240 1131839845 /nfs/dbraw/zinc/83/98/45/1131839845.db2.gz IZYQWWGUMLVOQD-LBPRGKRZSA-N 0 1 261.752 3.576 20 0 CHADMN CNc1ccc(-c2nc3cc(C)c(F)cc3[nH]2)cc1 ZINC001247013567 1131841378 /nfs/dbraw/zinc/84/13/78/1131841378.db2.gz YGODDVNPKHYGBN-UHFFFAOYSA-N 0 1 255.296 3.719 20 0 CHADMN CCCCc1ccc2nc(-c3csc(N)n3)[nH]c2c1 ZINC001247013566 1131842673 /nfs/dbraw/zinc/84/26/73/1131842673.db2.gz YGCQWRGFNCPXIT-UHFFFAOYSA-N 0 1 272.377 3.611 20 0 CHADMN Cc1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)cc(C)c1O ZINC001140659107 1131852801 /nfs/dbraw/zinc/85/28/01/1131852801.db2.gz NQRUFMYUHHKCBJ-HNNXBMFYSA-N 0 1 281.399 3.956 20 0 CHADMN Cc1nc2ccc(OC[C@H](C)Oc3ccccc3)cc2[nH]1 ZINC001228328575 1131858369 /nfs/dbraw/zinc/85/83/69/1131858369.db2.gz GPCXDQNGFLURQU-LBPRGKRZSA-N 0 1 282.343 3.718 20 0 CHADMN Cc1nc2ccc(O[C@@H]3CCc4c3nccc4Cl)cc2[nH]1 ZINC001228326113 1131858725 /nfs/dbraw/zinc/85/87/25/1131858725.db2.gz FPZSSNIFEPIHFP-OAHLLOKOSA-N 0 1 299.761 3.986 20 0 CHADMN Cc1nc2ccc(OC[C@@H]3CCc4ccccc4O3)cc2[nH]1 ZINC001228327828 1131859375 /nfs/dbraw/zinc/85/93/75/1131859375.db2.gz WFTHAWIFJKIGGD-HNNXBMFYSA-N 0 1 294.354 3.644 20 0 CHADMN c1cnn(-c2ccc(CN(Cc3ccco3)C3CC3)cc2)c1 ZINC000045004968 1131859377 /nfs/dbraw/zinc/85/93/77/1131859377.db2.gz YHTJEMMJOOEPKJ-UHFFFAOYSA-N 0 1 293.370 3.630 20 0 CHADMN Cc1nc2ccc(OC[C@@H](C)OCc3ccccc3)cc2[nH]1 ZINC001228327609 1131860340 /nfs/dbraw/zinc/86/03/40/1131860340.db2.gz SCVYSTBSUYGPNK-CYBMUJFWSA-N 0 1 296.370 3.855 20 0 CHADMN Cc1csc([C@H](C)NCCO[C@@H]2CCCC[C@@H]2C)n1 ZINC000348106882 1131881391 /nfs/dbraw/zinc/88/13/91/1131881391.db2.gz HFOXUJWRBMORIP-FPMFFAJLSA-N 0 1 282.453 3.697 20 0 CHADMN CCCC(=O)c1ccc(O[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC001228464268 1131887772 /nfs/dbraw/zinc/88/77/72/1131887772.db2.gz UGYHJMZLRZJYQV-INIZCTEOSA-N 0 1 275.392 3.531 20 0 CHADMN CCCC(=O)c1ccc(O[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001228465333 1131888486 /nfs/dbraw/zinc/88/84/86/1131888486.db2.gz GIUBNQFQMCQVEQ-QGZVFWFLSA-N 0 1 289.419 3.921 20 0 CHADMN c1cn(-c2ccccc2)nc1CN1CCCC2(CCC2)C1 ZINC000348164890 1131893533 /nfs/dbraw/zinc/89/35/33/1131893533.db2.gz CMSLRZWCWJVWIQ-UHFFFAOYSA-N 0 1 281.403 3.638 20 0 CHADMN Cc1cccc(NC(=O)[C@@H](C)N2CCCC3(CCC3)C2)c1 ZINC000348192684 1131894991 /nfs/dbraw/zinc/89/49/91/1131894991.db2.gz IYJHDRNIJMWMTK-OAHLLOKOSA-N 0 1 286.419 3.588 20 0 CHADMN c1cn(C2CCCC2)nc1CN1CCCC2(CCC2)C1 ZINC000348191926 1131896709 /nfs/dbraw/zinc/89/67/09/1131896709.db2.gz GDWSODIYSNSTHN-UHFFFAOYSA-N 0 1 273.424 3.764 20 0 CHADMN C[C@H](N[C@H](CO)c1ccsc1)c1ccc(Cl)cc1 ZINC000348175330 1131897230 /nfs/dbraw/zinc/89/72/30/1131897230.db2.gz QNPVJIBDAWZJLR-IINYFYTJSA-N 0 1 281.808 3.786 20 0 CHADMN CCC[C@@H](Oc1nc(Cl)nc2nc[nH]c21)[C@@H](C)CC ZINC001228510147 1131899933 /nfs/dbraw/zinc/89/99/33/1131899933.db2.gz VHJHYCFSBLZFND-DTWKUNHWSA-N 0 1 282.775 3.600 20 0 CHADMN CCC1(CC)CCN(Cc2ncc(CN(C)C)s2)CC1 ZINC000348189663 1131902239 /nfs/dbraw/zinc/90/22/39/1131902239.db2.gz YBBOPZSENGDJBI-UHFFFAOYSA-N 0 1 295.496 3.607 20 0 CHADMN CO[C@@]1(C)CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000348205214 1131905569 /nfs/dbraw/zinc/90/55/69/1131905569.db2.gz JWGYHQPWFJQAGF-AWEZNQCLSA-N 0 1 287.325 3.706 20 0 CHADMN Fc1ccc(CN2CCSC[C@@H]2C2CCC2)c(F)c1 ZINC001171345432 1131909208 /nfs/dbraw/zinc/90/92/08/1131909208.db2.gz ZUXKRKFHGGISCX-OAHLLOKOSA-N 0 1 283.387 3.682 20 0 CHADMN Cc1cc(F)ccc1CN1CCN(C)C[C@@H]1c1ccccc1 ZINC001140777019 1131912389 /nfs/dbraw/zinc/91/23/89/1131912389.db2.gz GWKMJEDQADWWMZ-LJQANCHMSA-N 0 1 298.405 3.623 20 0 CHADMN CC[C@@H](NCc1nc2cc(F)ccc2n1C)c1ccccc1 ZINC000773002384 1131915885 /nfs/dbraw/zinc/91/58/85/1131915885.db2.gz RALHNNDDTKFQSW-OAHLLOKOSA-N 0 1 297.377 3.953 20 0 CHADMN Cc1ccccc1CN(C)Cc1cc(O)cc(Cl)c1 ZINC001140794777 1131921753 /nfs/dbraw/zinc/92/17/53/1131921753.db2.gz ZDOHYYQFXYVWRC-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)c(Cl)c1 ZINC001140797062 1131923314 /nfs/dbraw/zinc/92/33/14/1131923314.db2.gz IXZXHXVXWXCSQF-CJNGLKHVSA-N 0 1 279.811 3.649 20 0 CHADMN Cc1ccc(CN2CC[C@H]3CCCO[C@H]3C2)c(Cl)c1 ZINC001140797062 1131923319 /nfs/dbraw/zinc/92/33/19/1131923319.db2.gz IXZXHXVXWXCSQF-CJNGLKHVSA-N 0 1 279.811 3.649 20 0 CHADMN Cc1ccc(CN2CC[C@@H](OC(C)C)C2)c(Cl)c1 ZINC001140799756 1131925532 /nfs/dbraw/zinc/92/55/32/1131925532.db2.gz LBJRCRYWBDNZBZ-CQSZACIVSA-N 0 1 267.800 3.648 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@H](C)c1cncs1)CCC2 ZINC000773040376 1131927765 /nfs/dbraw/zinc/92/77/65/1131927765.db2.gz OOMQCGDRBAFOPG-ABAIWWIYSA-N 0 1 288.416 3.880 20 0 CHADMN CC[C@@H](C)Oc1nc2cccc(Br)c2[nH]1 ZINC001228682222 1131933829 /nfs/dbraw/zinc/93/38/29/1131933829.db2.gz SSLJNARHNFMKMV-SSDOTTSWSA-N 0 1 269.142 3.503 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@@H]2CCCc3c[nH]nc32)c1 ZINC000773068221 1131935538 /nfs/dbraw/zinc/93/55/38/1131935538.db2.gz ZANMYIUVCGJJOJ-MLGOLLRUSA-N 0 1 285.391 3.537 20 0 CHADMN COc1ccc(CN2CC3CCC2CC3)c(Cl)c1 ZINC001140822430 1131935894 /nfs/dbraw/zinc/93/58/94/1131935894.db2.gz PIZZPJKLFHAUJB-UHFFFAOYSA-N 0 1 265.784 3.723 20 0 CHADMN COc1cc(F)c(CN2CC[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC001140824787 1131937666 /nfs/dbraw/zinc/93/76/66/1131937666.db2.gz IZJRBCPJSJGCRA-NWDGAFQWSA-N 0 1 281.346 3.595 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccc(F)n2)cc(C)c1F ZINC000773086511 1131940834 /nfs/dbraw/zinc/94/08/34/1131940834.db2.gz JTIOPJWTWJXABD-GFCCVEGCSA-N 0 1 276.330 3.827 20 0 CHADMN Cc1c([C@@H](C)N[C@@H](C)c2ccc[nH]2)cnn1-c1ccccc1 ZINC000773114084 1131948327 /nfs/dbraw/zinc/94/83/27/1131948327.db2.gz CSBGFWFXIJCNQT-KGLIPLIRSA-N 0 1 294.402 3.921 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@H](C)c1ccc[nH]1 ZINC000773117177 1131949129 /nfs/dbraw/zinc/94/91/29/1131949129.db2.gz KRGWXVJGADKMQN-QWHCGFSZSA-N 0 1 258.365 3.744 20 0 CHADMN Nc1cccc(F)c1CN1CCC[C@@H]1c1cccs1 ZINC001140874769 1131953917 /nfs/dbraw/zinc/95/39/17/1131953917.db2.gz HNJCDGOKZUPSNC-CQSZACIVSA-N 0 1 276.380 3.807 20 0 CHADMN CC(C)[C@H](NCc1cnn(C)c1Cl)c1ccccc1 ZINC000712401639 1131955012 /nfs/dbraw/zinc/95/50/12/1131955012.db2.gz LMCGJEFADPLNRL-AWEZNQCLSA-N 0 1 277.799 3.560 20 0 CHADMN Fc1cc(CN2C[C@H]3CC[C@@H]2C3)cc(F)c1C(F)(F)F ZINC001140883105 1131955522 /nfs/dbraw/zinc/95/55/22/1131955522.db2.gz ZOLUOWCHGBACLN-WCBMZHEXSA-N 0 1 291.263 3.968 20 0 CHADMN CCC1CN(Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000836249763 1131955910 /nfs/dbraw/zinc/95/59/10/1131955910.db2.gz QNBMOVJCLPDBAE-UHFFFAOYSA-N 0 1 297.427 3.905 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1c(N)cccc1F ZINC001140877931 1131956666 /nfs/dbraw/zinc/95/66/66/1131956666.db2.gz XOHPKYYBNBQBBU-KRWDZBQOSA-N 0 1 272.367 3.991 20 0 CHADMN CCC(CC)[N@@H+](CC)Cc1ccc([O-])c(F)c1F ZINC001140893226 1131959627 /nfs/dbraw/zinc/95/96/27/1131959627.db2.gz LJCOGFWSOHMIMQ-UHFFFAOYSA-N 0 1 257.324 3.681 20 0 CHADMN CC1CN(Cc2ccc(OC(F)F)c(OCC3CC3)c2)C1 ZINC001140903910 1131962100 /nfs/dbraw/zinc/96/21/00/1131962100.db2.gz ZVEXWXPULUBHCS-UHFFFAOYSA-N 0 1 297.345 3.529 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](Cc2ccccc2)C2CCC2)o1 ZINC001140949341 1131970387 /nfs/dbraw/zinc/97/03/87/1131970387.db2.gz ZIHQUEWPWKVEDY-UHFFFAOYSA-N 0 1 285.343 3.533 20 0 CHADMN CCC[N@@H+](Cc1cc(F)c([O-])c(F)c1)[C@@H](C)CC ZINC001140989615 1131978461 /nfs/dbraw/zinc/97/84/61/1131978461.db2.gz RKCFLVLPSZDPQZ-JTQLQIEISA-N 0 1 257.324 3.681 20 0 CHADMN CC(C)[C@H]1CC[C@H](Oc2nnc3c[nH]ccc2-3)CC1 ZINC001228989311 1131993199 /nfs/dbraw/zinc/99/31/99/1131993199.db2.gz GFSKDNULWSAQCU-HAQNSBGRSA-N 0 1 259.353 3.552 20 0 CHADMN C[C@H](NCc1ccc(Cl)cc1)c1ccns1 ZINC000715908611 1131994307 /nfs/dbraw/zinc/99/43/07/1131994307.db2.gz KSVGDOTTXQRESD-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN COc1ccc2nc(Cl)c(CN(C)CC(C)C)cc2c1 ZINC001141061882 1132001227 /nfs/dbraw/zinc/00/12/27/1132001227.db2.gz NGACORDNGUQGNW-UHFFFAOYSA-N 0 1 292.810 3.985 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2sccc21)c1ccns1 ZINC000716030629 1132002505 /nfs/dbraw/zinc/00/25/05/1132002505.db2.gz NAUVVFCFTNSTRP-MWLCHTKSSA-N 0 1 264.419 3.933 20 0 CHADMN C[C@H](NCc1cccc(C(F)F)c1)c1ccns1 ZINC000716012537 1132008804 /nfs/dbraw/zinc/00/88/04/1132008804.db2.gz BWBGQFGAJUUSDS-VIFPVBQESA-N 0 1 268.332 3.932 20 0 CHADMN O=C(c1cnc(-c2ccccc2)[nH]1)N1CCCCCCCC1 ZINC000836921401 1132011386 /nfs/dbraw/zinc/01/13/86/1132011386.db2.gz GIQSXDQPFZOFSK-UHFFFAOYSA-N 0 1 297.402 3.873 20 0 CHADMN CN(Cc1cnccn1)Cc1ccccc1-c1cccs1 ZINC001141096943 1132016676 /nfs/dbraw/zinc/01/66/76/1132016676.db2.gz WARIPNKVWNTXJV-UHFFFAOYSA-N 0 1 295.411 3.837 20 0 CHADMN C[C@@H]1CN(Cc2ccnc(-c3ccc(F)cc3)c2)C[C@@H]1F ZINC001141115661 1132021807 /nfs/dbraw/zinc/02/18/07/1132021807.db2.gz DPQXYPHSRMRLRW-WBMJQRKESA-N 0 1 288.341 3.678 20 0 CHADMN Cc1ccc(C[N@H+]2CCc3ccccc3C2)c(F)c1 ZINC001141191935 1132039304 /nfs/dbraw/zinc/03/93/04/1132039304.db2.gz ZBRGRDBZIHLZHZ-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN Cc1ccc(CN2CCc3ccccc3C2)c(F)c1 ZINC001141191935 1132039311 /nfs/dbraw/zinc/03/93/11/1132039311.db2.gz ZBRGRDBZIHLZHZ-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN CCSc1ccccc1CN1CCOC[C@@H]1C1CCC1 ZINC001171472342 1132041010 /nfs/dbraw/zinc/04/10/10/1132041010.db2.gz ZSUOXEPPERXCBN-MRXNPFEDSA-N 0 1 291.460 3.800 20 0 CHADMN COc1ccc(C(F)(F)F)cc1CN1CC[C@H](C)C1 ZINC001141201066 1132041873 /nfs/dbraw/zinc/04/18/73/1132041873.db2.gz ZHYPJWBMSLSMHX-JTQLQIEISA-N 0 1 273.298 3.556 20 0 CHADMN CC(C)(Nc1cc(OCC2CC2)ccn1)c1ccncc1 ZINC001171513608 1132047317 /nfs/dbraw/zinc/04/73/17/1132047317.db2.gz PNURFGMAXGVLQP-UHFFFAOYSA-N 0 1 283.375 3.613 20 0 CHADMN CCc1ccccc1CN(C)Cc1ccccc1OC ZINC001141226437 1132049184 /nfs/dbraw/zinc/04/91/84/1132049184.db2.gz AWKWXQBQYHWFBQ-UHFFFAOYSA-N 0 1 269.388 3.890 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN(C)CCC(C)(C)C ZINC001171520920 1132049982 /nfs/dbraw/zinc/04/99/82/1132049982.db2.gz DSJJKQUDXZSLIY-UHFFFAOYSA-N 0 1 296.842 3.955 20 0 CHADMN Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001141233650 1132055108 /nfs/dbraw/zinc/05/51/08/1132055108.db2.gz SPSWGULKGFICGP-UBHSHLNASA-N 0 1 253.748 3.581 20 0 CHADMN C/C=C/[C@H](Oc1nc(C)nc2[nH]cnc21)C1CCCCC1 ZINC001229438851 1132066669 /nfs/dbraw/zinc/06/66/69/1132066669.db2.gz XVCNWRDEHFVACH-MXPWBENCSA-N 0 1 286.379 3.565 20 0 CHADMN Cc1ccc(CC[C@H](C)n2c3ccccc3nc2CN)cc1 ZINC001171656193 1132068456 /nfs/dbraw/zinc/06/84/56/1132068456.db2.gz WVJTVAZESKIDGR-HNNXBMFYSA-N 0 1 293.414 3.997 20 0 CHADMN CCN(Cc1sccc1OC)Cc1ccc(F)cc1 ZINC001141327326 1132086984 /nfs/dbraw/zinc/08/69/84/1132086984.db2.gz PZXWTTWRBQGVAW-UHFFFAOYSA-N 0 1 279.380 3.918 20 0 CHADMN CC(=O)c1cccc(-c2ccccc2)c1O[C@@H]1CCN(C)C1 ZINC001229567053 1132089271 /nfs/dbraw/zinc/08/92/71/1132089271.db2.gz SWWKJMIZZOVNIU-MRXNPFEDSA-N 0 1 295.382 3.639 20 0 CHADMN CC[C@@H]1CN(Cc2cc3ccccc3o2)[C@H](CC)CO1 ZINC001171778117 1132095083 /nfs/dbraw/zinc/09/50/83/1132095083.db2.gz IQLSDVQNWUSPSH-HUUCEWRRSA-N 0 1 273.376 3.822 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(C(=O)[O-])c3)cc2)C1 ZINC001141350681 1132097227 /nfs/dbraw/zinc/09/72/27/1132097227.db2.gz MHXUXDCFDFIOOA-CQSZACIVSA-N 0 1 295.382 3.894 20 0 CHADMN CC(C)[N@@H+](C)Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001141348634 1132097317 /nfs/dbraw/zinc/09/73/17/1132097317.db2.gz MMGJMGXMLMLGDM-UHFFFAOYSA-N 0 1 283.371 3.892 20 0 CHADMN CC(C)(C(=O)NCc1ccc2cncn2c1)C1CCCCC1 ZINC000837856691 1132105300 /nfs/dbraw/zinc/10/53/00/1132105300.db2.gz MLGICGHEAMEYRX-UHFFFAOYSA-N 0 1 299.418 3.557 20 0 CHADMN Cn1cc(CN2CCCC2)c2cc(Br)ccc21 ZINC000258187428 1132119033 /nfs/dbraw/zinc/11/90/33/1132119033.db2.gz ZFHRBHPCBVNKFP-UHFFFAOYSA-N 0 1 293.208 3.537 20 0 CHADMN Cc1nc2cc(Nc3cccc(F)c3F)ccc2[nH]1 ZINC001213073730 1132129664 /nfs/dbraw/zinc/12/96/64/1132129664.db2.gz VGGKNVOYHPEPKN-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1nc2ccc(Nc3cccc(F)c3F)cc2[nH]1 ZINC001213073730 1132129668 /nfs/dbraw/zinc/12/96/68/1132129668.db2.gz VGGKNVOYHPEPKN-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN CCCc1cc(F)c(O[C@@H]2CCC[N@@H+](CC)C2)c(F)c1 ZINC001229964152 1132137258 /nfs/dbraw/zinc/13/72/58/1132137258.db2.gz BQHYYOJPENTTLM-CYBMUJFWSA-N 0 1 283.362 3.780 20 0 CHADMN CCCc1cc(F)c(O[C@@H]2CCCN(CC)C2)c(F)c1 ZINC001229964152 1132137261 /nfs/dbraw/zinc/13/72/61/1132137261.db2.gz BQHYYOJPENTTLM-CYBMUJFWSA-N 0 1 283.362 3.780 20 0 CHADMN CC(C)Oc1c(F)cc(F)c(Nc2ncco2)c1F ZINC001212643092 1132138663 /nfs/dbraw/zinc/13/86/63/1132138663.db2.gz PJLBSJMLBBYWEG-UHFFFAOYSA-N 0 1 272.226 3.623 20 0 CHADMN Cc1ccc(CN(C)C2Cc3ccccc3C2)c(Cl)n1 ZINC000838797178 1132147321 /nfs/dbraw/zinc/14/73/21/1132147321.db2.gz NNKREILXXCHVCM-UHFFFAOYSA-N 0 1 286.806 3.643 20 0 CHADMN CC(=O)c1cc2ccccc2cc1O[C@@H]1CCCN(C)C1 ZINC001230068195 1132152751 /nfs/dbraw/zinc/15/27/51/1132152751.db2.gz YMSIBIJBMGYFSE-MRXNPFEDSA-N 0 1 283.371 3.515 20 0 CHADMN Cc1cc(F)c(CNC[C@H](O)c2ccccc2)c(Cl)c1 ZINC000838896315 1132156261 /nfs/dbraw/zinc/15/62/61/1132156261.db2.gz WIDAVPCWFPFDOA-INIZCTEOSA-N 0 1 293.769 3.611 20 0 CHADMN CCCCN(Cc1ccccc1)Cc1cnc(C)nc1 ZINC001203111626 1132157042 /nfs/dbraw/zinc/15/70/42/1132157042.db2.gz NAAJZXSOOJMMAI-UHFFFAOYSA-N 0 1 269.392 3.587 20 0 CHADMN CC[N@H+]1CCC[C@H](Oc2c(Cl)ccc(C)c2C)C1 ZINC001230180734 1132157648 /nfs/dbraw/zinc/15/76/48/1132157648.db2.gz UENSRWFIIIAYDV-ZDUSSCGKSA-N 0 1 267.800 3.820 20 0 CHADMN CCN1CCC[C@H](Oc2c(Cl)ccc(C)c2C)C1 ZINC001230180734 1132157652 /nfs/dbraw/zinc/15/76/52/1132157652.db2.gz UENSRWFIIIAYDV-ZDUSSCGKSA-N 0 1 267.800 3.820 20 0 CHADMN CC[C@H](C)OCC[C@H](C)N(C)Cc1cnc(Cl)s1 ZINC001172339099 1132177190 /nfs/dbraw/zinc/17/71/90/1132177190.db2.gz NUIYSQQBNAIQKP-QWRGUYRKSA-N 0 1 290.860 3.822 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cccs2)c(Cl)n1 ZINC000838928634 1132160029 /nfs/dbraw/zinc/16/00/29/1132160029.db2.gz QPUWXLOTYIUKBQ-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)N[C@@H]1CCCCC1(F)F ZINC001172325827 1132161088 /nfs/dbraw/zinc/16/10/88/1132161088.db2.gz XRYILTLVBSJJKH-FRRDWIJNSA-N 0 1 263.372 3.748 20 0 CHADMN CCCCCC[C@@H](CCC)NCc1ncc(F)cn1 ZINC001172377355 1132169350 /nfs/dbraw/zinc/16/93/50/1132169350.db2.gz AAWHQIPZZGWQEG-CQSZACIVSA-N 0 1 267.392 3.844 20 0 CHADMN C[C@@H]1CC[C@H](N2CCc3ncc(Cl)cc3C2)C[C@@H]1C ZINC001172378887 1132170107 /nfs/dbraw/zinc/17/01/07/1132170107.db2.gz MXBKPERQZOPSLM-XUJVJEKNSA-N 0 1 278.827 3.918 20 0 CHADMN CC[C@@H](C)OCC[C@H](C)N1Cc2ccc(OC)cc2C1 ZINC001172344186 1132179585 /nfs/dbraw/zinc/17/95/85/1132179585.db2.gz XLPXXLABPHXYIN-UONOGXRCSA-N 0 1 277.408 3.605 20 0 CHADMN C[C@H](Cc1cccc(F)c1)N(C)Cc1cccnc1Cl ZINC000839187956 1132190454 /nfs/dbraw/zinc/19/04/54/1132190454.db2.gz RYKWUVBOJMZOBT-GFCCVEGCSA-N 0 1 292.785 3.937 20 0 CHADMN CCCCCC[C@@H](CCC)N1CCc2c(ncn2C)C1 ZINC001172383220 1132209905 /nfs/dbraw/zinc/20/99/05/1132209905.db2.gz LIRARUSIEAMPNM-OAHLLOKOSA-N 0 1 277.456 3.917 20 0 CHADMN Fc1cc2ncccc2cc1CN1CC[C@@H](C(F)(F)F)C1 ZINC001141629386 1132216933 /nfs/dbraw/zinc/21/69/33/1132216933.db2.gz ZLKFLPWNRWVDGK-GFCCVEGCSA-N 0 1 298.283 3.758 20 0 CHADMN Fc1cc2ncccc2cc1CN1CCC[C@@H](C(F)F)C1 ZINC001141630976 1132217270 /nfs/dbraw/zinc/21/72/70/1132217270.db2.gz HAWGPNROTZIIDP-GFCCVEGCSA-N 0 1 294.320 3.851 20 0 CHADMN C[C@@H](Oc1nncc2n[nH]cc21)c1cc2ccccc2s1 ZINC001230896795 1132225204 /nfs/dbraw/zinc/22/52/04/1132225204.db2.gz VDATXNLALUPKKM-SECBINFHSA-N 0 1 296.355 3.708 20 0 CHADMN Fc1cc(O[C@@H]2CCCc3cccnc32)cc2[nH]ncc21 ZINC001230931089 1132231244 /nfs/dbraw/zinc/23/12/44/1132231244.db2.gz KVDXUIZMAWCRAZ-OAHLLOKOSA-N 0 1 283.306 3.553 20 0 CHADMN c1ccc2c(c1)Cc1cc(CN3CCOC4(CC4)C3)ccc1-2 ZINC001141741445 1132244250 /nfs/dbraw/zinc/24/42/50/1132244250.db2.gz QOUXYYCGWHLOMN-UHFFFAOYSA-N 0 1 291.394 3.623 20 0 CHADMN CC(F)(F)CN[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172530694 1132245817 /nfs/dbraw/zinc/24/58/17/1132245817.db2.gz DPQAEFKHNSHRQO-ZIAGYGMSSA-N 0 1 253.336 3.958 20 0 CHADMN CCC(CC)[C@H](CC)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231046637 1132247985 /nfs/dbraw/zinc/24/79/85/1132247985.db2.gz AOORXNWCVJRKIX-JTQLQIEISA-N 0 1 282.775 3.600 20 0 CHADMN Cc1ccccc1[C@@H](C)Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001231074076 1132252096 /nfs/dbraw/zinc/25/20/96/1132252096.db2.gz KHEUTKJASKWZOW-LLVKDONJSA-N 0 1 298.317 3.923 20 0 CHADMN Fc1ccc2occ(CN3CCC(F)CC3)c2c1 ZINC001141847057 1132256738 /nfs/dbraw/zinc/25/67/38/1132256738.db2.gz VKLJRBABYQWZHC-UHFFFAOYSA-N 0 1 251.276 3.506 20 0 CHADMN CCCCCC[C@@H](CCCC)n1c(C)nnc1CN ZINC001172512918 1132259087 /nfs/dbraw/zinc/25/90/87/1132259087.db2.gz LASDFURPAMTUHN-CQSZACIVSA-N 0 1 266.433 3.747 20 0 CHADMN O=C(c1ccccc1O)c1ccccc1O[C@@H]1C=CCC1 ZINC001231210445 1132272082 /nfs/dbraw/zinc/27/20/82/1132272082.db2.gz PUKXSRYOXFMCPX-CYBMUJFWSA-N 0 1 280.323 3.721 20 0 CHADMN C[C@@H](CCc1c(F)cc(Cl)cc1F)N1CCC1 ZINC001172570047 1132272864 /nfs/dbraw/zinc/27/28/64/1132272864.db2.gz HACUVOVDNVRRQV-VIFPVBQESA-N 0 1 259.727 3.645 20 0 CHADMN c1ccc([C@@H]2CCC[C@H](N3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC001172539937 1132275836 /nfs/dbraw/zinc/27/58/36/1132275836.db2.gz AYWJFMKXEHXVEZ-XDNAFOTISA-N 0 1 271.404 3.576 20 0 CHADMN CC1(C)CC(N[C@H]2CCCCC2(F)F)CC(C)(C)O1 ZINC001172651325 1132288109 /nfs/dbraw/zinc/28/81/09/1132288109.db2.gz ZRGSDIQOVNBYFC-LBPRGKRZSA-N 0 1 275.383 3.890 20 0 CHADMN Cc1ccc(CN2CCC(n3cccn3)CC2)cc1Cl ZINC001231424337 1132292262 /nfs/dbraw/zinc/29/22/62/1132292262.db2.gz RJWDTOJBCYYEAP-UHFFFAOYSA-N 0 1 289.810 3.682 20 0 CHADMN Cc1ccc(CN2CC[C@H]3CCCO[C@@H]3C2)cc1Cl ZINC001231421760 1132292311 /nfs/dbraw/zinc/29/23/11/1132292311.db2.gz PVRBFUIXSNLNID-GDBMZVCRSA-N 0 1 279.811 3.649 20 0 CHADMN Fc1ccc2c(c1)CN([C@@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172722164 1132295227 /nfs/dbraw/zinc/29/52/27/1132295227.db2.gz PLHCHSZTLXYKPL-QGZVFWFLSA-N 0 1 287.765 3.962 20 0 CHADMN FC(F)(F)c1ccnc(CNC2CCCCCCC2)n1 ZINC000840867971 1132297581 /nfs/dbraw/zinc/29/75/81/1132297581.db2.gz RSRXEKBMMJCPMJ-UHFFFAOYSA-N 0 1 287.329 3.698 20 0 CHADMN Cc1c(F)ccc(CN2CC[C@@H](COCC3CC3)C2)c1F ZINC001231478289 1132297908 /nfs/dbraw/zinc/29/79/08/1132297908.db2.gz BPTXJEYCXAVSPR-CQSZACIVSA-N 0 1 295.373 3.522 20 0 CHADMN CSc1ccc(C[N@H+]2CC3CCC2CC3)s1 ZINC001142027923 1132301031 /nfs/dbraw/zinc/30/10/31/1132301031.db2.gz VLANXGMGTLARDN-UHFFFAOYSA-N 0 1 253.436 3.844 20 0 CHADMN Cc1cc(C)c(CN(C)Cc2cncs2)cc1C ZINC001231486163 1132301186 /nfs/dbraw/zinc/30/11/86/1132301186.db2.gz TZTIDQGNLQFHIB-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN CC(C)Oc1ccccc1CNc1nccn1C1CC1 ZINC000840886803 1132302819 /nfs/dbraw/zinc/30/28/19/1132302819.db2.gz DJPWBJSECHIVJE-UHFFFAOYSA-N 0 1 271.364 3.617 20 0 CHADMN CCn1ccnc1NCc1ccccc1N1CCCCC1 ZINC000840886672 1132303048 /nfs/dbraw/zinc/30/30/48/1132303048.db2.gz LPCRBXRGKOEZBZ-UHFFFAOYSA-N 0 1 284.407 3.505 20 0 CHADMN CC(C)(C)c1nc(CNc2nccn2C2CC2)cs1 ZINC000840887101 1132303844 /nfs/dbraw/zinc/30/38/44/1132303844.db2.gz IKKFWPKAAFWWBB-UHFFFAOYSA-N 0 1 276.409 3.584 20 0 CHADMN Fc1cc(Cl)ccc1CNc1nccn1C1CC1 ZINC000840886945 1132304741 /nfs/dbraw/zinc/30/47/41/1132304741.db2.gz OTRFATFYABYJGM-UHFFFAOYSA-N 0 1 265.719 3.623 20 0 CHADMN Cc1ccc(CN[C@H](C)c2csc3ccccc32)nn1 ZINC000840894092 1132305614 /nfs/dbraw/zinc/30/56/14/1132305614.db2.gz OBXKMQAWCKWDQN-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN Oc1ccc(CN2CCCC23CC3)cc1C(F)(F)F ZINC001231524602 1132312122 /nfs/dbraw/zinc/31/21/22/1132312122.db2.gz RVNMDRGTACCUOV-UHFFFAOYSA-N 0 1 271.282 3.539 20 0 CHADMN COc1cccc2cc(CN[C@@H]3CCCC[C@H]3F)oc21 ZINC000840961610 1132313118 /nfs/dbraw/zinc/31/31/18/1132313118.db2.gz BYAHMVQVEZVOAL-ZIAGYGMSSA-N 0 1 277.339 3.812 20 0 CHADMN Oc1ccc(CN2CCC[C@@H](F)CC2)cc1C(F)(F)F ZINC001231521368 1132313896 /nfs/dbraw/zinc/31/38/96/1132313896.db2.gz DZEUEPOBFWVDCP-LLVKDONJSA-N 0 1 291.288 3.735 20 0 CHADMN FC1CC2(C1)CCN(Cc1nc3c(s1)CCCC3)CC2 ZINC001231579697 1132319319 /nfs/dbraw/zinc/31/93/19/1132319319.db2.gz GJZINCVIKSZTIV-UHFFFAOYSA-N 0 1 294.439 3.736 20 0 CHADMN COc1cc(F)ccc1CN(C)Cc1ccc(C)cc1 ZINC001231601940 1132323853 /nfs/dbraw/zinc/32/38/53/1132323853.db2.gz KOMDYANFHSXZSB-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN COc1cc(F)ccc1C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001231604823 1132327404 /nfs/dbraw/zinc/32/74/04/1132327404.db2.gz GOCRPBPMVNETTR-KRWDZBQOSA-N 0 1 285.362 3.954 20 0 CHADMN COc1cc(F)ccc1CN(C)[C@H]1CCc2ccccc21 ZINC001231604823 1132327412 /nfs/dbraw/zinc/32/74/12/1132327412.db2.gz GOCRPBPMVNETTR-KRWDZBQOSA-N 0 1 285.362 3.954 20 0 CHADMN Cc1sc2ccccc2c1CN1C[C@H]2CC[C@@H](C1)O2 ZINC001231645243 1132333377 /nfs/dbraw/zinc/33/33/77/1132333377.db2.gz VJQMPGNGZXMIDQ-BETUJISGSA-N 0 1 273.401 3.573 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)N1CCCO[C@@H](C)C1 ZINC001172846683 1132335154 /nfs/dbraw/zinc/33/51/54/1132335154.db2.gz HFYCSHVRWWLHTI-NEPJUHHUSA-N 0 1 285.790 3.521 20 0 CHADMN Cc1ccc2c(c1)C[C@@H](N(C)CC(=O)c1ccccc1)CC2 ZINC001172845392 1132335187 /nfs/dbraw/zinc/33/51/87/1132335187.db2.gz YDPAHZIJDZRCOP-IBGZPJMESA-N 0 1 293.410 3.667 20 0 CHADMN CO[C@@H]1CCCN([C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172848796 1132336619 /nfs/dbraw/zinc/33/66/19/1132336619.db2.gz GNPYJIPKRDZQIW-VXGBXAGGSA-N 0 1 285.790 3.521 20 0 CHADMN CO[C@@H]1CCCN([C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172848794 1132336965 /nfs/dbraw/zinc/33/69/65/1132336965.db2.gz GNPYJIPKRDZQIW-NWDGAFQWSA-N 0 1 285.790 3.521 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)N1CCC(F)CC1 ZINC001172848373 1132337029 /nfs/dbraw/zinc/33/70/29/1132337029.db2.gz VFTANENDCSPVPY-SNVBAGLBSA-N 0 1 273.754 3.844 20 0 CHADMN CO[C@H]1CCCN([C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172848795 1132338249 /nfs/dbraw/zinc/33/82/49/1132338249.db2.gz GNPYJIPKRDZQIW-RYUDHWBXSA-N 0 1 285.790 3.521 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN1CCC[C@H](C(F)F)C1 ZINC001142178452 1132338783 /nfs/dbraw/zinc/33/87/83/1132338783.db2.gz WCVYWARPVXSTRL-ZDUSSCGKSA-N 0 1 299.409 3.732 20 0 CHADMN CC(=O)[C@@H]1CCCN([C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172856095 1132341276 /nfs/dbraw/zinc/34/12/76/1132341276.db2.gz ILXWNRJVIFOCKS-WCQYABFASA-N 0 1 297.801 3.711 20 0 CHADMN CCc1coc(CN[C@H](C)Cc2ccc(F)cc2Cl)n1 ZINC001172855061 1132341312 /nfs/dbraw/zinc/34/13/12/1132341312.db2.gz UPFQARGPOJDBGT-SNVBAGLBSA-N 0 1 296.773 3.750 20 0 CHADMN CCN(Cc1[nH]cnc1C(C)(C)C)Cc1ccccc1 ZINC001142208752 1132341464 /nfs/dbraw/zinc/34/14/64/1132341464.db2.gz BAJJHWCCIWDUMD-UHFFFAOYSA-N 0 1 271.408 3.729 20 0 CHADMN C[N@H+](Cc1ccccc1-c1ccccc1C(=O)[O-])CC1CC1 ZINC001231675919 1132344449 /nfs/dbraw/zinc/34/44/49/1132344449.db2.gz UBPMAXVVOANVMJ-UHFFFAOYSA-N 0 1 295.382 3.894 20 0 CHADMN CC[N@@H+](C)Cc1ccccc1-c1ccccc1C(=O)[O-] ZINC001231676564 1132345191 /nfs/dbraw/zinc/34/51/91/1132345191.db2.gz HOEXVWWIWUQZBZ-UHFFFAOYSA-N 0 1 269.344 3.504 20 0 CHADMN CCN(Cc1ccc(COC)o1)Cc1ccc(F)cc1 ZINC001231693927 1132347661 /nfs/dbraw/zinc/34/76/61/1132347661.db2.gz WYWMCBZMYRORJQ-UHFFFAOYSA-N 0 1 277.339 3.587 20 0 CHADMN COc1cc(Cl)c(CN2CCC23CCCC3)c(OC)c1 ZINC001231693853 1132348139 /nfs/dbraw/zinc/34/81/39/1132348139.db2.gz GJUAZNVYMNMTJG-UHFFFAOYSA-N 0 1 295.810 3.876 20 0 CHADMN CN(Cc1cccs1)Cc1ccc(Cl)c(O)c1 ZINC001231734052 1132351575 /nfs/dbraw/zinc/35/15/75/1132351575.db2.gz PCFMVFKKNHQESJ-UHFFFAOYSA-N 0 1 267.781 3.739 20 0 CHADMN C[C@@H](CSc1ccc(Cl)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC001172877898 1132355404 /nfs/dbraw/zinc/35/54/04/1132355404.db2.gz RHLXHFDKOIIBAI-FPMFFAJLSA-N 0 1 297.851 3.684 20 0 CHADMN C[C@H](NC(=O)c1cccc2nc[nH]c21)[C@@H]1CCC[C@@H](C)C1 ZINC001142302429 1132363616 /nfs/dbraw/zinc/36/36/16/1132363616.db2.gz XOCAKCXNDVBMBL-FRRDWIJNSA-N 0 1 285.391 3.508 20 0 CHADMN Cc1ccc(-c2ccc(CN3C[C@@H](F)C[C@H]3CO)cc2)cc1 ZINC001142300760 1132364065 /nfs/dbraw/zinc/36/40/65/1132364065.db2.gz MRAQCFHZZZOIOE-OALUTQOASA-N 0 1 299.389 3.567 20 0 CHADMN CC(C)=C(C)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000841442995 1132365894 /nfs/dbraw/zinc/36/58/94/1132365894.db2.gz HNHLCVKUTIXUBO-UHFFFAOYSA-N 0 1 273.336 3.581 20 0 CHADMN CO[C@@H]1CCC[C@@H](N(C)Cc2csc(C(C)C)n2)C1 ZINC001172941084 1132367025 /nfs/dbraw/zinc/36/70/25/1132367025.db2.gz DARQYWSQDIVEOP-ZIAGYGMSSA-N 0 1 282.453 3.656 20 0 CHADMN CO[C@@H]1CCC[C@H](N(C)Cc2csc(C(C)C)n2)C1 ZINC001172941083 1132367597 /nfs/dbraw/zinc/36/75/97/1132367597.db2.gz DARQYWSQDIVEOP-UONOGXRCSA-N 0 1 282.453 3.656 20 0 CHADMN c1cc(-c2ccccc2)oc1CN1CCN(C2CCC2)CC1 ZINC001231810375 1132368352 /nfs/dbraw/zinc/36/83/52/1132368352.db2.gz OICBDUBDKCJYHB-UHFFFAOYSA-N 0 1 296.414 3.617 20 0 CHADMN O=C1CCN(Cc2ccccc2-c2ccccc2)CC[C@H]1F ZINC001142331259 1132371713 /nfs/dbraw/zinc/37/17/13/1132371713.db2.gz QCVZZNRCZHYLBA-GOSISDBHSA-N 0 1 297.373 3.857 20 0 CHADMN Cc1nc2cc(Nc3cc(F)c(O)c(F)c3)ccc2[nH]1 ZINC001213074447 1132371890 /nfs/dbraw/zinc/37/18/90/1132371890.db2.gz UZGMNOWYHWPFIF-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN C[C@H]1CN(Cc2ccccc2-c2ccc(F)cc2)CCO1 ZINC001231821547 1132372908 /nfs/dbraw/zinc/37/29/08/1132372908.db2.gz CDLIDSVXXFDMMX-AWEZNQCLSA-N 0 1 285.362 3.713 20 0 CHADMN CCCOc1ncccc1CN(C)CCCc1ccccc1 ZINC001231863130 1132380383 /nfs/dbraw/zinc/38/03/83/1132380383.db2.gz OJMVAJUJOWBWSD-UHFFFAOYSA-N 0 1 298.430 3.935 20 0 CHADMN CN(Cc1ccc(C(F)(F)F)c(F)c1F)CC1CC1 ZINC001231856297 1132380780 /nfs/dbraw/zinc/38/07/80/1132380780.db2.gz MFGHRHMIZYZQNE-UHFFFAOYSA-N 0 1 279.252 3.825 20 0 CHADMN CSCCN(C)Cc1ccc(OC2CCCCC2)nc1 ZINC001231873770 1132383637 /nfs/dbraw/zinc/38/36/37/1132383637.db2.gz DQPAJITXUWFNLW-UHFFFAOYSA-N 0 1 294.464 3.588 20 0 CHADMN C[C@]1(F)CCCN(Cc2ncccc2C(F)(F)F)CC1 ZINC001231961590 1132403576 /nfs/dbraw/zinc/40/35/76/1132403576.db2.gz JYQXWJIVMIIXPP-ZDUSSCGKSA-N 0 1 290.304 3.815 20 0 CHADMN CC[N@@H+](Cc1ccccc1)Cc1cc(C)nc(C)c1 ZINC001231996012 1132406736 /nfs/dbraw/zinc/40/67/36/1132406736.db2.gz XNBWBICAALPYHO-UHFFFAOYSA-N 0 1 254.377 3.721 20 0 CHADMN Fc1ncc(Cl)cc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001231996140 1132407209 /nfs/dbraw/zinc/40/72/09/1132407209.db2.gz DBZMEDRXHGKSQN-VXGBXAGGSA-N 0 1 282.790 3.886 20 0 CHADMN COc1cc(CN2CC(C3CCCC3)C2)c(Cl)cc1O ZINC001206195616 1132412890 /nfs/dbraw/zinc/41/28/90/1132412890.db2.gz YIGGKDRVDHICGA-UHFFFAOYSA-N 0 1 295.810 3.676 20 0 CHADMN COc1cccc2[nH]cc(CN3CCC[C@](C)(F)C3)c21 ZINC001232034377 1132413108 /nfs/dbraw/zinc/41/31/08/1132413108.db2.gz HYLIMDXXWUATOV-INIZCTEOSA-N 0 1 276.355 3.501 20 0 CHADMN COc1cccc2[nH]cc(CN3CCCCC34CC4)c21 ZINC001232037316 1132413195 /nfs/dbraw/zinc/41/31/95/1132413195.db2.gz STFUXYBHBYPFIX-UHFFFAOYSA-N 0 1 270.376 3.695 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2ncc(Br)cc2C)C1 ZINC001232049847 1132415736 /nfs/dbraw/zinc/41/57/36/1132415736.db2.gz IUZHADODKHPILZ-LBPRGKRZSA-N 0 1 297.240 3.775 20 0 CHADMN CC[C@H]1CCCN(Cc2ncc(Br)cc2C)C1 ZINC001232049847 1132415739 /nfs/dbraw/zinc/41/57/39/1132415739.db2.gz IUZHADODKHPILZ-LBPRGKRZSA-N 0 1 297.240 3.775 20 0 CHADMN CN(Cc1c(Cl)n(C)nc1C(F)F)CC1CCCC1 ZINC001232056337 1132416494 /nfs/dbraw/zinc/41/64/94/1132416494.db2.gz PGFBSOPEGXVNRP-UHFFFAOYSA-N 0 1 291.773 3.633 20 0 CHADMN CN(Cc1ccccc1)Cc1cccc(C(F)(F)F)n1 ZINC001232067820 1132416600 /nfs/dbraw/zinc/41/66/00/1132416600.db2.gz XDKRTMGANCPSOU-UHFFFAOYSA-N 0 1 280.293 3.732 20 0 CHADMN C[C@]1(F)CCCC[N@@H+](Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142646746 1132416900 /nfs/dbraw/zinc/41/69/00/1132416900.db2.gz BWMWAKRMRKMMMY-HNNXBMFYSA-N 0 1 299.773 3.752 20 0 CHADMN c1c(CN2CC=C(c3ccccc3)CC2)[nH]c2cccnc12 ZINC001232065651 1132416910 /nfs/dbraw/zinc/41/69/10/1132416910.db2.gz DSTSZROXVBGNSB-UHFFFAOYSA-N 0 1 289.382 3.852 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C(=O)[O-])[C@H]1C ZINC001142657313 1132418229 /nfs/dbraw/zinc/41/82/29/1132418229.db2.gz VNRMCZKNDZMRBR-MNOVXSKESA-N 0 1 281.783 3.659 20 0 CHADMN CCCC[C@H](CC(C)C)NC1(C(=O)OC)CCCC1 ZINC001173249952 1132420585 /nfs/dbraw/zinc/42/05/85/1132420585.db2.gz MHXJOGJWGCFCEG-CQSZACIVSA-N 0 1 269.429 3.667 20 0 CHADMN CCCC[C@@H](CC(C)C)N[C@H]1NC(=O)c2ccccc21 ZINC001173253538 1132422259 /nfs/dbraw/zinc/42/22/59/1132422259.db2.gz PWVZMUJPNDZARG-BBRMVZONSA-N 0 1 274.408 3.623 20 0 CHADMN FC1(F)CN(Cc2cccc3nc[nH]c32)Cc2ccccc21 ZINC001142672755 1132423722 /nfs/dbraw/zinc/42/37/22/1132423722.db2.gz LBKCTTOQQGXVJU-UHFFFAOYSA-N 0 1 299.324 3.671 20 0 CHADMN c1cc(C[N@@H+]2CCC[C@@H](CCc3ccccc3)C2)sn1 ZINC001232195922 1132434071 /nfs/dbraw/zinc/43/40/71/1132434071.db2.gz SFOSOONTOGESDW-INIZCTEOSA-N 0 1 286.444 3.988 20 0 CHADMN CCCCC1CCN(Cc2ncsc2C)CC1 ZINC001232210830 1132437103 /nfs/dbraw/zinc/43/71/03/1132437103.db2.gz SCRWEVKMXKLCNU-UHFFFAOYSA-N 0 1 252.427 3.854 20 0 CHADMN CC(C)(C)c1cc(CN2CCC(C)(F)CC2)ccn1 ZINC001232214185 1132437531 /nfs/dbraw/zinc/43/75/31/1132437531.db2.gz MKPYLEYDBAAQKX-UHFFFAOYSA-N 0 1 264.388 3.703 20 0 CHADMN C[C@@H]1CCCCN(Cc2ccnc(C(F)(F)F)c2)C1 ZINC001232236826 1132440771 /nfs/dbraw/zinc/44/07/71/1132440771.db2.gz JWTWIZAHMLZTOX-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN Clc1cc(CN2CC[C@@]3(C2)CCCCO3)cs1 ZINC001142760259 1132442963 /nfs/dbraw/zinc/44/29/63/1132442963.db2.gz MMQQLYAUFKFGGZ-CYBMUJFWSA-N 0 1 271.813 3.547 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2ccnc(C(F)(F)F)c2)C1 ZINC001232240715 1132443174 /nfs/dbraw/zinc/44/31/74/1132443174.db2.gz OOJHOZGHGDGDAU-QWRGUYRKSA-N 0 1 272.314 3.578 20 0 CHADMN CCCCCCO[C@H](C)c1nc([C@H](N)CC(C)C)no1 ZINC000842585886 1132443805 /nfs/dbraw/zinc/44/38/05/1132443805.db2.gz GVGPVXVSYPNLPC-CHWSQXEVSA-N 0 1 283.416 3.773 20 0 CHADMN CC[C@H]1CC[C@@H](N2Cc3cnn(-c4ccccc4)c3C2)C1 ZINC001173294981 1132444349 /nfs/dbraw/zinc/44/43/49/1132444349.db2.gz OSUSLYJJBQVZJJ-WMLDXEAASA-N 0 1 281.403 3.767 20 0 CHADMN CCCCC[C@H](CC)c1nc([C@@H]2CCCN2)no1 ZINC000842638404 1132448139 /nfs/dbraw/zinc/44/81/39/1132448139.db2.gz KWBSHAHPTPPZPY-RYUDHWBXSA-N 0 1 251.374 3.568 20 0 CHADMN COc1ncncc1CN[C@@H](c1ccccc1)C1CCCC1 ZINC000842673261 1132448958 /nfs/dbraw/zinc/44/89/58/1132448958.db2.gz KVHREUJNIUTRQW-KRWDZBQOSA-N 0 1 297.402 3.506 20 0 CHADMN CC/C=C/CNCc1cc(Br)cnc1Cl ZINC000842709396 1132453098 /nfs/dbraw/zinc/45/30/98/1132453098.db2.gz YFHNECVUDXJRNH-ONEGZZNKSA-N 0 1 289.604 3.553 20 0 CHADMN CC[C@H]1CC[C@@H](n2c(-c3ccccc3)cnc2CN)C1 ZINC001173278256 1132453280 /nfs/dbraw/zinc/45/32/80/1132453280.db2.gz YFKIZXQQWAGLRR-DZGCQCFKSA-N 0 1 269.392 3.760 20 0 CHADMN CSc1ccc(CN(C)Cc2ccccc2C)cn1 ZINC001232329272 1132454072 /nfs/dbraw/zinc/45/40/72/1132454072.db2.gz PQFCYZMZFSELGK-UHFFFAOYSA-N 0 1 272.417 3.744 20 0 CHADMN CC[C@@H]1CCCN1Cc1ccc(Br)nc1C ZINC001232321987 1132454976 /nfs/dbraw/zinc/45/49/76/1132454976.db2.gz BWGQFEVJYROMCL-GFCCVEGCSA-N 0 1 283.213 3.527 20 0 CHADMN CC[C@@H]1CC[C@H](N2CCOC[C@H]2c2ccc(F)cc2)C1 ZINC001173282470 1132455070 /nfs/dbraw/zinc/45/50/70/1132455070.db2.gz GNYYELBKJRXJQI-COXVUDFISA-N 0 1 277.383 3.778 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cnc(OC)cc1C ZINC001232352449 1132460245 /nfs/dbraw/zinc/46/02/45/1132460245.db2.gz CGUVWFKYMKYGRK-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN COc1cc(C)c(CN2CC=C(c3ccccc3)CC2)cn1 ZINC001232353884 1132460760 /nfs/dbraw/zinc/46/07/60/1132460760.db2.gz WNJURRHGWDXRGX-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN COc1cc(C)c(CN(C)Cc2cccc(Cl)c2)cn1 ZINC001232353185 1132460819 /nfs/dbraw/zinc/46/08/19/1132460819.db2.gz CIJIJGUHDRICDA-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN CCOc1ccc(OC)cc1CN1CCCC(F)(F)CC1 ZINC001232380151 1132462399 /nfs/dbraw/zinc/46/23/99/1132462399.db2.gz HIFMJHMVBMXQTE-UHFFFAOYSA-N 0 1 299.361 3.715 20 0 CHADMN COc1ccc(OC(C)C)c(CN2CCC(C)(F)CC2)c1 ZINC001232387858 1132463653 /nfs/dbraw/zinc/46/36/53/1132463653.db2.gz UTRZDBBGNQSQLS-UHFFFAOYSA-N 0 1 295.398 3.806 20 0 CHADMN Cc1cccc(C[N@H+]2CC[C@@](C)(CF)C2)c1OC(C)C ZINC001232389290 1132463937 /nfs/dbraw/zinc/46/39/37/1132463937.db2.gz GPFGQNILYVLYLN-KRWDZBQOSA-N 0 1 279.399 3.964 20 0 CHADMN Cn1cc2c(n1)CCN([C@@H]1CCCC3(CCCCC3)C1)C2 ZINC001173344071 1132469695 /nfs/dbraw/zinc/46/96/95/1132469695.db2.gz QLZQIBRNFIKNJT-MRXNPFEDSA-N 0 1 287.451 3.671 20 0 CHADMN FC(F)(F)c1ccc(CN2CC[C@@H]3CCC[C@H]3C2)o1 ZINC001232441510 1132470429 /nfs/dbraw/zinc/47/04/29/1132470429.db2.gz PKSICFOXGOIIKZ-QWRGUYRKSA-N 0 1 273.298 3.920 20 0 CHADMN F[C@@H]1CN([C@H]2CCCC3(CCCCC3)C2)C[C@H]1F ZINC001173345927 1132471738 /nfs/dbraw/zinc/47/17/38/1132471738.db2.gz IDWMFLKVZFKIPM-BFHYXJOUSA-N 0 1 257.368 3.871 20 0 CHADMN c1c(CN2CCC3(CCC3)C2)onc1OCc1ccccc1 ZINC001232453712 1132472505 /nfs/dbraw/zinc/47/25/05/1132472505.db2.gz YLCKCJRHJYDRGQ-UHFFFAOYSA-N 0 1 298.386 3.630 20 0 CHADMN C[C@@H](Nc1cc2c(cn1)CCCC2)c1cc2n(n1)CCCC2 ZINC000842874640 1132473234 /nfs/dbraw/zinc/47/32/34/1132473234.db2.gz FFLCESFVHUMRKA-CYBMUJFWSA-N 0 1 296.418 3.666 20 0 CHADMN FC(F)[C@@H]1CCCN(Cc2c[nH]c3nccc(Cl)c23)C1 ZINC001232460978 1132474156 /nfs/dbraw/zinc/47/41/56/1132474156.db2.gz WXQMIWNTEQCKTJ-SECBINFHSA-N 0 1 299.752 3.693 20 0 CHADMN Cn1ncc2c1CN([C@H]1CCCC3(CCCCC3)C1)CC2 ZINC001173351254 1132476044 /nfs/dbraw/zinc/47/60/44/1132476044.db2.gz YUFUDWIXYSLRPQ-INIZCTEOSA-N 0 1 287.451 3.671 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2N[C@@H](CCO)c1ccccc1F ZINC000842925569 1132476776 /nfs/dbraw/zinc/47/67/76/1132476776.db2.gz YMYGMZBYRXNTCM-MOPGFXCFSA-N 0 1 299.389 3.835 20 0 CHADMN Fc1ccnc(CN2CC[C@H](c3ccccc3Cl)C2)c1 ZINC001232496870 1132479742 /nfs/dbraw/zinc/47/97/42/1132479742.db2.gz WXEMJTANJYVRQS-LBPRGKRZSA-N 0 1 290.769 3.864 20 0 CHADMN CC1(c2ccccc2)CCN(Cc2cc(F)ccn2)CC1 ZINC001232497110 1132480456 /nfs/dbraw/zinc/48/04/56/1132480456.db2.gz AMYIYUCKTZRTFV-UHFFFAOYSA-N 0 1 284.378 3.774 20 0 CHADMN COc1cc(Cl)ccc1CN1CC[C@H](C)C[C@H]1C ZINC001232501515 1132481395 /nfs/dbraw/zinc/48/13/95/1132481395.db2.gz VSMWYWMUYVRVSR-NWDGAFQWSA-N 0 1 267.800 3.969 20 0 CHADMN CCCCN(CCCC)Cc1c(OC)cncc1OC ZINC001232504190 1132481805 /nfs/dbraw/zinc/48/18/05/1132481805.db2.gz AUVVXWPHSDDWKT-UHFFFAOYSA-N 0 1 280.412 3.501 20 0 CHADMN Fc1ccc([C@H]2CCC[N@H+]2Cc2cccn3ccnc23)cc1 ZINC001142944716 1132487844 /nfs/dbraw/zinc/48/78/44/1132487844.db2.gz RMGHPKYYAZLMDG-QGZVFWFLSA-N 0 1 295.361 3.811 20 0 CHADMN FC1(F)CC2(C1)CCN(Cc1nc3ccccc3o1)CC2 ZINC001232556892 1132487853 /nfs/dbraw/zinc/48/78/53/1132487853.db2.gz WHHSFPCRBJAMJN-UHFFFAOYSA-N 0 1 292.329 3.839 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cc2ccoc2cn1 ZINC001232554079 1132488201 /nfs/dbraw/zinc/48/82/01/1132488201.db2.gz JBOPAADOWNBRHV-UHFFFAOYSA-N 0 1 284.334 3.989 20 0 CHADMN CCOc1ccnc(CN(C)[C@H]2CCc3ccccc32)c1 ZINC001232587189 1132489303 /nfs/dbraw/zinc/48/93/03/1132489303.db2.gz YJOXHAMUWMSQCL-SFHVURJKSA-N 0 1 282.387 3.600 20 0 CHADMN C[C@@H](CCc1ccc(Cl)c(Cl)c1)n1ccnc1CN ZINC001173541872 1132491190 /nfs/dbraw/zinc/49/11/90/1132491190.db2.gz DPNVKCKORXSKAQ-JTQLQIEISA-N 0 1 298.217 3.842 20 0 CHADMN Clc1ccc2ncc(CN3CCCCCCCC3)n2n1 ZINC001142999457 1132492543 /nfs/dbraw/zinc/49/25/43/1132492543.db2.gz KVNIVXKBVNRVDZ-UHFFFAOYSA-N 0 1 292.814 3.539 20 0 CHADMN CCCC(N)(CCC)c1nc(-c2cc(F)ccc2C)no1 ZINC001249347761 1132494301 /nfs/dbraw/zinc/49/43/01/1132494301.db2.gz BEKATRQJNPGJBG-UHFFFAOYSA-N 0 1 291.370 3.938 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc3nccn3c2)cc1 ZINC001143028163 1132494596 /nfs/dbraw/zinc/49/45/96/1132494596.db2.gz WKFGGPYQVNMFPR-UHFFFAOYSA-N 0 1 279.387 3.529 20 0 CHADMN COc1cccc(C)c1CN(C)CCC(=O)c1ccccc1 ZINC001232624210 1132497180 /nfs/dbraw/zinc/49/71/80/1132497180.db2.gz CWMJEZUARJRURK-UHFFFAOYSA-N 0 1 297.398 3.708 20 0 CHADMN CC[C@@H](Cc1ccccc1C)c1nc([C@H](N)C(C)C)no1 ZINC000843155960 1132497791 /nfs/dbraw/zinc/49/77/91/1132497791.db2.gz YTOTXEGORKZIOZ-DZGCQCFKSA-N 0 1 287.407 3.770 20 0 CHADMN Cc1ccc(C2(c3nc([C@H](N)C(C)C)no3)CCC2)cc1 ZINC000843150953 1132498314 /nfs/dbraw/zinc/49/83/14/1132498314.db2.gz CNCFRMQVXAAONO-CQSZACIVSA-N 0 1 285.391 3.504 20 0 CHADMN CC(C)[C@@H](N)c1noc(CSc2ccc(Cl)cc2)n1 ZINC000843150499 1132498813 /nfs/dbraw/zinc/49/88/13/1132498813.db2.gz JMIFGGINLJJFGL-GFCCVEGCSA-N 0 1 297.811 3.671 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2ccc(C3CCC3)cc2)n1 ZINC000843154323 1132498844 /nfs/dbraw/zinc/49/88/44/1132498844.db2.gz PBHMPVKETWRPSQ-AWEZNQCLSA-N 0 1 271.364 3.660 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@@H](C)CCC(C)(C)C)n1 ZINC000843153981 1132499084 /nfs/dbraw/zinc/49/90/84/1132499084.db2.gz WOJGYUBRKOREEQ-WDEREUQCSA-N 0 1 253.390 3.655 20 0 CHADMN CN(Cc1cccc(Cl)c1)Cc1cncc2cnccc21 ZINC001232651440 1132499926 /nfs/dbraw/zinc/49/99/26/1132499926.db2.gz PLZKIBSOKFKDPU-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN CCCN[C@H](C)c1nc(Cc2c(C)[nH]c3ccccc32)no1 ZINC000843185057 1132500176 /nfs/dbraw/zinc/50/01/76/1132500176.db2.gz MVGAROQNBZOCKF-GFCCVEGCSA-N 0 1 298.390 3.511 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(-c2ccc3[nH]ccc3c2)no1 ZINC000843177006 1132500676 /nfs/dbraw/zinc/50/06/76/1132500676.db2.gz ZXLAIVXMLHKQED-CQSZACIVSA-N 0 1 298.390 3.915 20 0 CHADMN FC(F)CNC1CCC2(CCc3ccccc32)CC1 ZINC001173684748 1132505324 /nfs/dbraw/zinc/50/53/24/1132505324.db2.gz RPATXXOSZCZMIK-UHFFFAOYSA-N 0 1 265.347 3.668 20 0 CHADMN CCCN[C@@H](C)c1nc(Cc2ccc(Cl)cc2C)no1 ZINC000843223833 1132506618 /nfs/dbraw/zinc/50/66/18/1132506618.db2.gz WEVQPYUBSUQSKO-NSHDSACASA-N 0 1 293.798 3.683 20 0 CHADMN CCNCc1nc(-c2cc3cc(Cl)cc(C)c3o2)no1 ZINC000843224269 1132506941 /nfs/dbraw/zinc/50/69/41/1132506941.db2.gz NMAUGELUJMBHLR-UHFFFAOYSA-N 0 1 291.738 3.554 20 0 CHADMN CN(Cc1cc(F)c(Cl)cc1Cl)CC1(C)COC1 ZINC001232699781 1132507476 /nfs/dbraw/zinc/50/74/76/1132507476.db2.gz CZWLCRYAWJKZAI-UHFFFAOYSA-N 0 1 292.181 3.601 20 0 CHADMN Oc1ccc2c(c1)CCN(Cc1cccc3ncsc31)C2 ZINC001232729962 1132509184 /nfs/dbraw/zinc/50/91/84/1132509184.db2.gz DSCOTYCNEVBGGY-UHFFFAOYSA-N 0 1 296.395 3.560 20 0 CHADMN Cc1c(CN2CCCc3ccccc3C2)ccnc1Cl ZINC001232754377 1132516086 /nfs/dbraw/zinc/51/60/86/1132516086.db2.gz ZPSYBQRMSCKBLN-UHFFFAOYSA-N 0 1 286.806 3.992 20 0 CHADMN [O-]c1cccc(C[N@H+](C2CCC2)C2CCOCC2)c1Cl ZINC001232789493 1132520589 /nfs/dbraw/zinc/52/05/89/1132520589.db2.gz JRFSJSBUAAJWQV-UHFFFAOYSA-N 0 1 295.810 3.579 20 0 CHADMN [O-]c1cccc(C[N@@H+](C2CCC2)C2CCOCC2)c1Cl ZINC001232789493 1132520600 /nfs/dbraw/zinc/52/06/00/1132520600.db2.gz JRFSJSBUAAJWQV-UHFFFAOYSA-N 0 1 295.810 3.579 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cccc([O-])c2Cl)C[C@@H]1C ZINC001232784582 1132520802 /nfs/dbraw/zinc/52/08/02/1132520802.db2.gz PQVIRUZWOBMQGD-NEPJUHHUSA-N 0 1 267.800 3.914 20 0 CHADMN Cc1ccccc1Nc1c(F)cccc1N1CCN(C)CC1 ZINC001173817117 1132521786 /nfs/dbraw/zinc/52/17/86/1132521786.db2.gz RZYBCARBUBUWDK-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN OCCN(Cc1cccs1)Cc1ccc(C(F)F)cc1 ZINC001143251232 1132523530 /nfs/dbraw/zinc/52/35/30/1132523530.db2.gz NMWFWKQMRHMBSC-UHFFFAOYSA-N 0 1 297.370 3.680 20 0 CHADMN FC(F)c1ccc(CN2CCCC[C@@H](F)C2)cc1 ZINC001143243794 1132524816 /nfs/dbraw/zinc/52/48/16/1132524816.db2.gz COYGCAAUWMKMLH-CYBMUJFWSA-N 0 1 257.299 3.948 20 0 CHADMN CCCn1cnc(CN2CCC[C@H]2c2cccc(C)c2)c1 ZINC001232793525 1132524785 /nfs/dbraw/zinc/52/47/85/1132524785.db2.gz BBDDOZXIXUXOIX-SFHVURJKSA-N 0 1 283.419 3.939 20 0 CHADMN CCOc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)c(F)c1F ZINC001143267977 1132526017 /nfs/dbraw/zinc/52/60/17/1132526017.db2.gz VIBKPKMWNCSAPQ-TXEJJXNPSA-N 0 1 281.346 3.595 20 0 CHADMN CCOc1ccc(CN2CC[C@H]3CCC[C@@H]3C2)c(F)c1F ZINC001143270095 1132527099 /nfs/dbraw/zinc/52/70/99/1132527099.db2.gz WDBYMZPWZDUXFD-CHWSQXEVSA-N 0 1 295.373 3.986 20 0 CHADMN COc1c(F)ccc(CN2CCCCC[C@@H]2C)c1F ZINC001143317721 1132534678 /nfs/dbraw/zinc/53/46/78/1132534678.db2.gz AVBPYXRXKNNMDW-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN Cc1cc(O)cc(CN2CCc3c(C)cccc3C2)c1 ZINC001232881508 1132534773 /nfs/dbraw/zinc/53/47/73/1132534773.db2.gz ZVABMPAPXPYEAZ-UHFFFAOYSA-N 0 1 267.372 3.567 20 0 CHADMN Cc1cc(O)cc(CN2CCSc3ccccc3C2)c1 ZINC001232882541 1132535360 /nfs/dbraw/zinc/53/53/60/1132535360.db2.gz VKZUQWXQALQPMJ-UHFFFAOYSA-N 0 1 285.412 3.809 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1cc(C)cc(O)c1 ZINC001232885404 1132536982 /nfs/dbraw/zinc/53/69/82/1132536982.db2.gz HMOBWEAUAGGIOQ-AWEZNQCLSA-N 0 1 285.387 3.902 20 0 CHADMN Cc1nc2cc(-c3cc(OC(C)C)ncc3F)ccc2[nH]1 ZINC001206630421 1132539574 /nfs/dbraw/zinc/53/95/74/1132539574.db2.gz PVGSJRIVUAFJLJ-UHFFFAOYSA-N 0 1 285.322 3.860 20 0 CHADMN [O-]c1c(F)ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c1F ZINC001232935576 1132544954 /nfs/dbraw/zinc/54/49/54/1132544954.db2.gz UHIHTUVNMYBZGA-BXUZGUMPSA-N 0 1 281.346 3.825 20 0 CHADMN CN(Cc1ccsc1)Cc1ccc2ncoc2c1 ZINC001232943167 1132547210 /nfs/dbraw/zinc/54/72/10/1132547210.db2.gz VMBNLTZNTLIVHG-UHFFFAOYSA-N 0 1 258.346 3.521 20 0 CHADMN CC(C)c1ccc(N(C)C(=O)[C@@H]2CCN2C(C)(C)C)cc1 ZINC001149786282 1132547467 /nfs/dbraw/zinc/54/74/67/1132547467.db2.gz WWWCLNFSUHGAJV-INIZCTEOSA-N 0 1 288.435 3.646 20 0 CHADMN Cc1cnc2c(c1)CN(Cc1ccc(C3CC3)cc1)CC2 ZINC001232987562 1132557996 /nfs/dbraw/zinc/55/79/96/1132557996.db2.gz ZZWGBMOBWATIJJ-UHFFFAOYSA-N 0 1 278.399 3.826 20 0 CHADMN CCC[N@@H+](Cc1ccccc1)Cc1cc(Cl)ncc1O ZINC001233035617 1132566019 /nfs/dbraw/zinc/56/60/19/1132566019.db2.gz GZUIHRLRNAVJNF-UHFFFAOYSA-N 0 1 290.794 3.853 20 0 CHADMN CCC[N@@H+](Cc1ccccc1)Cc1cc(Cl)ncc1[O-] ZINC001233035617 1132566028 /nfs/dbraw/zinc/56/60/28/1132566028.db2.gz GZUIHRLRNAVJNF-UHFFFAOYSA-N 0 1 290.794 3.853 20 0 CHADMN CN(CCc1ccc(Cl)cc1)Cc1cccc(O)c1F ZINC001233053013 1132566960 /nfs/dbraw/zinc/56/69/60/1132566960.db2.gz GVHUAWRHTPURNC-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1[nH]nc2cc(F)ccc21 ZINC001233126322 1132572299 /nfs/dbraw/zinc/57/22/99/1132572299.db2.gz KFXBBFUDGLZCRL-VMPITWQZSA-N 0 1 295.361 3.847 20 0 CHADMN Cc1cc(CN2Cc3ccccc3[C@H](C)C2)cnc1C ZINC001233155992 1132574732 /nfs/dbraw/zinc/57/47/32/1132574732.db2.gz DXTPVNHPYCSIGV-CQSZACIVSA-N 0 1 266.388 3.818 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1c(C)cccc1C ZINC001173872372 1132575229 /nfs/dbraw/zinc/57/52/29/1132575229.db2.gz TXHHGCVLTXCBFR-UHFFFAOYSA-N 0 1 251.333 3.533 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CCC[C@H]1C(C)C ZINC001233173484 1132576278 /nfs/dbraw/zinc/57/62/78/1132576278.db2.gz SJKCJCJBVXRUTJ-AWEZNQCLSA-N 0 1 282.815 3.754 20 0 CHADMN Cc1cccc2nc(C(=O)N(C)CC3CCCCC3)[nH]c21 ZINC001151988376 1132577274 /nfs/dbraw/zinc/57/72/74/1132577274.db2.gz SVVIYBWETKBQDI-UHFFFAOYSA-N 0 1 285.391 3.524 20 0 CHADMN CC[C@@H]1CCCN1Cc1cc(Cl)cnc1OC(C)C ZINC001233165605 1132577683 /nfs/dbraw/zinc/57/76/83/1132577683.db2.gz IFNNEXCLCBNOIA-CQSZACIVSA-N 0 1 282.815 3.897 20 0 CHADMN COc1cc(Br)cc(CN2CCC(C)CC2)c1 ZINC001233214199 1132582266 /nfs/dbraw/zinc/58/22/66/1132582266.db2.gz XARXCFQLDLIKQD-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cccc(Cl)c1O ZINC001152995789 1132589245 /nfs/dbraw/zinc/58/92/45/1132589245.db2.gz RZHHBSFHLLCDOR-GWOFURMSSA-N 0 1 279.767 3.666 20 0 CHADMN CCC[N@@H+](CCc1ccccn1)Cc1ccc([S-])cc1 ZINC001233261765 1132589995 /nfs/dbraw/zinc/58/99/95/1132589995.db2.gz CLIJZBVZNLRKDD-UHFFFAOYSA-N 0 1 286.444 3.825 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)c2[nH]1 ZINC001153614058 1132597568 /nfs/dbraw/zinc/59/75/68/1132597568.db2.gz RJDOFIKUACSDAR-AAEUAGOBSA-N 0 1 299.418 3.816 20 0 CHADMN CCCN1CCCC[C@H]1C(=O)Nc1cccc(SC)c1 ZINC000049519514 1132600276 /nfs/dbraw/zinc/60/02/76/1132600276.db2.gz IYPUZJZTMCEICC-HNNXBMFYSA-N 0 1 292.448 3.612 20 0 CHADMN Oc1ccc2c(c1)CCN(Cc1cc3cccnc3s1)C2 ZINC001233345944 1132606837 /nfs/dbraw/zinc/60/68/37/1132606837.db2.gz MDAIEISZXZKCCZ-UHFFFAOYSA-N 0 1 296.395 3.560 20 0 CHADMN CC1(C)[C@H](C(=O)NOc2ccccc2F)[C@H]1c1ccccc1 ZINC001154220342 1132610530 /nfs/dbraw/zinc/61/05/30/1132610530.db2.gz OUFAIDNRCNJRBN-CVEARBPZSA-N 0 1 299.345 3.676 20 0 CHADMN Cc1cccc2c1CCN(Cc1ccc(N)cc1Cl)C2 ZINC001233373644 1132611303 /nfs/dbraw/zinc/61/13/03/1132611303.db2.gz URKUQBNGSZLXPU-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN COc1ccc(C(C)C)cc1-n1c(N)nc2ccccc21 ZINC001173917307 1132612893 /nfs/dbraw/zinc/61/28/93/1132612893.db2.gz IHFVXPHTMLKAEE-UHFFFAOYSA-N 0 1 281.359 3.740 20 0 CHADMN C[N@@H+](Cc1cc(F)c(F)cc1N)[C@@H]1CCc2ccccc21 ZINC001233382839 1132614425 /nfs/dbraw/zinc/61/44/25/1132614425.db2.gz LCIYEJVHBSUSJF-QGZVFWFLSA-N 0 1 288.341 3.666 20 0 CHADMN Nc1cc(F)c(F)cc1CN1CCC[C@@H]1c1ccccc1 ZINC001233381179 1132614803 /nfs/dbraw/zinc/61/48/03/1132614803.db2.gz SDAJLFRJVCTDBF-QGZVFWFLSA-N 0 1 288.341 3.884 20 0 CHADMN Clc1ccn2cc(CN3CCCCC34CC4)nc2c1 ZINC001233391944 1132616312 /nfs/dbraw/zinc/61/63/12/1132616312.db2.gz DGBPKTZBQDQFGT-UHFFFAOYSA-N 0 1 275.783 3.506 20 0 CHADMN COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H](C)C2)c(Cl)c1[O-] ZINC001233397685 1132616397 /nfs/dbraw/zinc/61/63/97/1132616397.db2.gz IYVINXOZQREWFI-NWDGAFQWSA-N 0 1 297.826 3.922 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@H](C)[C@H](C)C2)c(Cl)c1[O-] ZINC001233397685 1132616401 /nfs/dbraw/zinc/61/64/01/1132616401.db2.gz IYVINXOZQREWFI-NWDGAFQWSA-N 0 1 297.826 3.922 20 0 CHADMN Clc1ccn2cc(CN3CCC[C@H]4CCC[C@H]43)nc2c1 ZINC001233391317 1132617189 /nfs/dbraw/zinc/61/71/89/1132617189.db2.gz CGQKIKKLFURXMJ-IUODEOHRSA-N 0 1 289.810 3.752 20 0 CHADMN Cc1ccc(NCc2cccc(OC(F)F)c2)nc1C ZINC001154669546 1132622269 /nfs/dbraw/zinc/62/22/69/1132622269.db2.gz HJJHPLVTJZOLME-UHFFFAOYSA-N 0 1 278.302 3.912 20 0 CHADMN C[C@@H]1CCCCCN1Cc1c[nH]c(Br)c1 ZINC001233436171 1132622785 /nfs/dbraw/zinc/62/27/85/1132622785.db2.gz BFIPLPBNNBIKQB-SNVBAGLBSA-N 0 1 271.202 3.542 20 0 CHADMN Fc1c(Cl)ccc(Nc2ccncc2)c1Cl ZINC001173883134 1132623142 /nfs/dbraw/zinc/62/31/42/1132623142.db2.gz IPRJTHVUHYSECH-UHFFFAOYSA-N 0 1 257.095 3.693 20 0 CHADMN FC(F)(F)c1nc2ccccc2cc1Nc1ccncc1 ZINC001173881287 1132624194 /nfs/dbraw/zinc/62/41/94/1132624194.db2.gz KYCOZOLGECGOQN-UHFFFAOYSA-N 0 1 289.260 3.814 20 0 CHADMN Cc1cc(Cl)c(Cl)c(Nc2ccncc2)c1 ZINC001173885390 1132625343 /nfs/dbraw/zinc/62/53/43/1132625343.db2.gz XVGVNXXVPZUWLD-UHFFFAOYSA-N 0 1 253.132 3.862 20 0 CHADMN COc1cc(Cl)c(Nc2ccncc2)c(Cl)c1 ZINC001173884795 1132625405 /nfs/dbraw/zinc/62/54/05/1132625405.db2.gz RMMBCFLFIULGSL-UHFFFAOYSA-N 0 1 269.131 3.563 20 0 CHADMN CC(C)(C)COc1ccc(Nc2ccncc2)cc1F ZINC001173884107 1132625413 /nfs/dbraw/zinc/62/54/13/1132625413.db2.gz HQIPBWSXAZMVQV-UHFFFAOYSA-N 0 1 274.339 3.811 20 0 CHADMN C[C@H]1CN(Cc2ccsc2Br)C2(CC2)C1 ZINC001233481684 1132627105 /nfs/dbraw/zinc/62/71/05/1132627105.db2.gz BOWTWCFROGXTQW-SECBINFHSA-N 0 1 286.238 3.885 20 0 CHADMN CC(C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCN2C(C)(C)C)CC1 ZINC001154886690 1132630009 /nfs/dbraw/zinc/63/00/09/1132630009.db2.gz VYHMBGSELRQNAM-OWCLPIDISA-N 0 1 294.483 3.580 20 0 CHADMN CCOc1ccnc(NCc2cnccc2C(F)(F)F)c1 ZINC001154900840 1132631233 /nfs/dbraw/zinc/63/12/33/1132631233.db2.gz ZZKAOQJFUIVPHY-UHFFFAOYSA-N 0 1 297.280 3.506 20 0 CHADMN Clc1cccc2nc(CN3C[C@H]4CCCC[C@@H]4C3)cn21 ZINC001233561945 1132637758 /nfs/dbraw/zinc/63/77/58/1132637758.db2.gz ATTCFJDURBYWQU-CHWSQXEVSA-N 0 1 289.810 3.610 20 0 CHADMN Clc1cccc2nc(CN3CCCCCCC3)cn21 ZINC001233591182 1132643292 /nfs/dbraw/zinc/64/32/92/1132643292.db2.gz DEBXOQNTWUWFAU-UHFFFAOYSA-N 0 1 277.799 3.754 20 0 CHADMN CC(C)(C)C(=N)Nc1csc2ncnc(Cl)c12 ZINC001155181104 1132646761 /nfs/dbraw/zinc/64/67/61/1132646761.db2.gz HRDXTYAMNMDJNK-UHFFFAOYSA-N 0 1 268.773 3.780 20 0 CHADMN Cc1cc2ccccc2c(NCc2ccncc2C)n1 ZINC001155220651 1132648934 /nfs/dbraw/zinc/64/89/34/1132648934.db2.gz XOABAZWNVAMVKC-UHFFFAOYSA-N 0 1 263.344 3.859 20 0 CHADMN C[N@H+]1CC[C@H](Oc2cc(Cl)c(Cl)c(Cl)c2)C1 ZINC001233670314 1132660807 /nfs/dbraw/zinc/66/08/07/1132660807.db2.gz OAQJLXSTEXCYKX-ZETCQYMHSA-N 0 1 280.582 3.730 20 0 CHADMN Cc1cc2ccccc2c(NCCc2cccc(O)c2)n1 ZINC001155866077 1132668477 /nfs/dbraw/zinc/66/84/77/1132668477.db2.gz GDLUMCIOPCGRHQ-UHFFFAOYSA-N 0 1 278.355 3.903 20 0 CHADMN COC(=O)c1cc(OC)c(N=C2CCCC2)cc1Cl ZINC001173998167 1132670170 /nfs/dbraw/zinc/67/01/70/1132670170.db2.gz KAZMQTZFLJQPSP-UHFFFAOYSA-N 0 1 281.739 3.615 20 0 CHADMN Fc1ccccc1OCCNc1ccc2c(n1)CCCC2 ZINC001156020000 1132677847 /nfs/dbraw/zinc/67/78/47/1132677847.db2.gz KBAUMCGSDCWWBS-UHFFFAOYSA-N 0 1 286.350 3.590 20 0 CHADMN COc1ccc(O[C@@H](C)CNc2ccc(C)c(C)n2)cc1 ZINC001156076599 1132680975 /nfs/dbraw/zinc/68/09/75/1132680975.db2.gz IVEZQLVYDWMWPK-ZDUSSCGKSA-N 0 1 286.375 3.586 20 0 CHADMN Cc1ccc(Nc2cc(=O)[nH]c(Cl)n2)c(Cl)c1 ZINC001174043714 1132706853 /nfs/dbraw/zinc/70/68/53/1132706853.db2.gz AKXQLINIESEHFG-UHFFFAOYSA-N 0 1 270.119 3.541 20 0 CHADMN O=C(Nc1ccc2cncn2c1)c1csc2c1CCCC2 ZINC001157388316 1132729977 /nfs/dbraw/zinc/72/99/77/1132729977.db2.gz DMGIXIKQHZPELK-UHFFFAOYSA-N 0 1 297.383 3.527 20 0 CHADMN COc1ccc2c(ccnc2NC2(c3ccccn3)CC2)c1 ZINC001157372956 1132730542 /nfs/dbraw/zinc/73/05/42/1132730542.db2.gz IKPCTDIPJWDNSQ-UHFFFAOYSA-N 0 1 291.354 3.740 20 0 CHADMN COC(=O)[C@@H]1C[C@H](Nc2nc(C)cc3ccccc32)C1(C)C ZINC001157552694 1132734458 /nfs/dbraw/zinc/73/44/58/1132734458.db2.gz GQRDQRUKURPAJN-GJZGRUSLSA-N 0 1 298.386 3.543 20 0 CHADMN C=Cc1ccc(CNc2nc(C)cc(N3CCCC3)n2)cc1 ZINC001157771243 1132741443 /nfs/dbraw/zinc/74/14/43/1132741443.db2.gz IWWDZZHDBMVWGF-UHFFFAOYSA-N 0 1 294.402 3.640 20 0 CHADMN Cc1cc(C)nc(N2C[C@H](C)OC[C@@H]2c2ccccc2)c1 ZINC001158286974 1132767840 /nfs/dbraw/zinc/76/78/40/1132767840.db2.gz XVVVXTKMGHPNDV-DOTOQJQBSA-N 0 1 282.387 3.665 20 0 CHADMN c1cn2cc(Nc3csc4cnccc34)ccc2n1 ZINC001174279027 1132768485 /nfs/dbraw/zinc/76/84/85/1132768485.db2.gz YNJXRJBNZQAJNW-UHFFFAOYSA-N 0 1 266.329 3.688 20 0 CHADMN Cc1cc(Nc2ccc3nccn3c2)cc(F)c1F ZINC001174279983 1132769883 /nfs/dbraw/zinc/76/98/83/1132769883.db2.gz MIHYVAKKTCHBTE-UHFFFAOYSA-N 0 1 259.259 3.665 20 0 CHADMN COc1cc(CCNc2nc(C)cc3ccccc32)ccn1 ZINC001158342303 1132771619 /nfs/dbraw/zinc/77/16/19/1132771619.db2.gz BECOVCBUXZRNKF-UHFFFAOYSA-N 0 1 293.370 3.601 20 0 CHADMN Brc1ccccc1Nc1ccc2nccn2c1 ZINC001174276393 1132784222 /nfs/dbraw/zinc/78/42/22/1132784222.db2.gz DBGBCHPESQVHRV-UHFFFAOYSA-N 0 1 288.148 3.840 20 0 CHADMN Cc1nccn1-c1ccc(Nc2ccc3nccn3c2)cc1 ZINC001174278771 1132787467 /nfs/dbraw/zinc/78/74/67/1132787467.db2.gz HSSIKMSWVJGJIL-UHFFFAOYSA-N 0 1 289.342 3.572 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](C)[C@H]2C)c(Br)n1 ZINC001249418972 1132793402 /nfs/dbraw/zinc/79/34/02/1132793402.db2.gz DPTKIFCTEAYFAF-ZYHUDNBSSA-N 0 1 297.240 3.773 20 0 CHADMN Nc1ccc(N(c2cccc3[nH]ncc32)C2CCCC2)nc1 ZINC001174344455 1132800625 /nfs/dbraw/zinc/80/06/25/1132800625.db2.gz BHVWFESFXZOGFZ-UHFFFAOYSA-N 0 1 293.374 3.621 20 0 CHADMN Cc1nccn1-c1ccc(Nc2cccc3[nH]ncc32)cc1 ZINC001174344275 1132800704 /nfs/dbraw/zinc/80/07/04/1132800704.db2.gz RUIMVKRDZZUYFV-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN CC(C)c1cccc(Nc2cccc3[nH]ncc32)n1 ZINC001174343099 1132800796 /nfs/dbraw/zinc/80/07/96/1132800796.db2.gz INCIHHWXDDINPW-UHFFFAOYSA-N 0 1 252.321 3.825 20 0 CHADMN CC(=O)c1ccccc1Nc1cccc2[nH]ncc21 ZINC001174344338 1132801810 /nfs/dbraw/zinc/80/18/10/1132801810.db2.gz VNARJVPTKFZCAA-UHFFFAOYSA-N 0 1 251.289 3.509 20 0 CHADMN Cn1c(Nc2cccc3[nH]ncc32)cc2ccccc21 ZINC001174342965 1132802788 /nfs/dbraw/zinc/80/27/88/1132802788.db2.gz JROASRAFTYLSLB-UHFFFAOYSA-N 0 1 262.316 3.798 20 0 CHADMN COCc1ccc(Nc2cccc3[nH]ncc32)cc1F ZINC001174344780 1132803255 /nfs/dbraw/zinc/80/32/55/1132803255.db2.gz CSYLOCUSINBVEN-UHFFFAOYSA-N 0 1 271.295 3.592 20 0 CHADMN CCc1nccc(C)c1Nc1cccc2[nH]ncc21 ZINC001174345027 1132804437 /nfs/dbraw/zinc/80/44/37/1132804437.db2.gz UQVJIAPLNBXBSY-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN Fc1cncc2cccc(Nc3cccc4[nH]ncc43)c12 ZINC001174345183 1132804700 /nfs/dbraw/zinc/80/47/00/1132804700.db2.gz MNKGBYBFXVVFBK-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN CC(=O)c1ccc(C)c(Nc2cccc3[nH]ncc32)c1 ZINC001174345473 1132804765 /nfs/dbraw/zinc/80/47/65/1132804765.db2.gz CGWNJUCIJDNXNF-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN Oc1ccc(Nc2cccc3[nH]ncc32)cc1Cl ZINC001174345797 1132804944 /nfs/dbraw/zinc/80/49/44/1132804944.db2.gz TUUIUJNJCSDWFY-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN c1n[nH]c2cccc(Nc3cccc(C4CC4)n3)c12 ZINC001174345102 1132805095 /nfs/dbraw/zinc/80/50/95/1132805095.db2.gz YNBBHFOXAJUQTN-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN COc1ccnc(NCc2ccccc2-c2cccnc2)c1 ZINC001159103681 1132805327 /nfs/dbraw/zinc/80/53/27/1132805327.db2.gz NXPAQXUTAXAKMM-UHFFFAOYSA-N 0 1 291.354 3.764 20 0 CHADMN CCc1ccccc1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159307555 1132827961 /nfs/dbraw/zinc/82/79/61/1132827961.db2.gz AWDIIDHLOZZLDE-AWEZNQCLSA-N 0 1 271.364 3.795 20 0 CHADMN C=Cc1ccccc1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159314129 1132829301 /nfs/dbraw/zinc/82/93/01/1132829301.db2.gz YMXREWHPGQQDDV-AWEZNQCLSA-N 0 1 269.348 3.876 20 0 CHADMN c1cc2cccc(Nc3cc([C@@H]4CCCCN4)no3)c2o1 ZINC001159311854 1132830689 /nfs/dbraw/zinc/83/06/89/1132830689.db2.gz QEMDBGJBYXTVAN-LBPRGKRZSA-N 0 1 283.331 3.979 20 0 CHADMN COc1ccc2c(c1)C[C@H](Nc1ncc(C)cc1C)CC2 ZINC001159359037 1132833149 /nfs/dbraw/zinc/83/31/49/1132833149.db2.gz AKKMQLYNEYYITH-MRXNPFEDSA-N 0 1 282.387 3.676 20 0 CHADMN COc1cc(C)c(Nc2ccc3c[nH]nc3c2)cc1OC ZINC001174500264 1132861215 /nfs/dbraw/zinc/86/12/15/1132861215.db2.gz NGVGJDAIGIHVQW-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN COc1ccc(Cl)c(Nc2ccc3c[nH]nc3c2)c1 ZINC001174500285 1132863088 /nfs/dbraw/zinc/86/30/88/1132863088.db2.gz OILVOEWUQQLPMS-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN c1[nH]nc2cc(Nc3cncc(C4CCC4)c3)ccc12 ZINC001174498888 1132863395 /nfs/dbraw/zinc/86/33/95/1132863395.db2.gz LLASHSHQFJNCMC-UHFFFAOYSA-N 0 1 264.332 3.969 20 0 CHADMN Cc1nc2c(Nc3ccc4c[nH]nc4c3)cccn2c1C ZINC001174498483 1132863509 /nfs/dbraw/zinc/86/35/09/1132863509.db2.gz GLJHQPXGPROKFW-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN Fc1nc(F)c(Cl)c(Nc2ccc3c[nH]nc3c2)c1F ZINC001174497608 1132864375 /nfs/dbraw/zinc/86/43/75/1132864375.db2.gz ATUOLYCUKJYOEJ-UHFFFAOYSA-N 0 1 298.655 3.772 20 0 CHADMN COc1c(C)cc(Nc2cccc3[nH]ncc32)cc1C ZINC001159573972 1132864720 /nfs/dbraw/zinc/86/47/20/1132864720.db2.gz FCNMPDMCFOMIQY-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1cc(Nc2ccc3c[nH]nc3c2)n(C2CCC2)n1 ZINC001174498664 1132864863 /nfs/dbraw/zinc/86/48/63/1132864863.db2.gz JRAMWEKNXZNQJX-UHFFFAOYSA-N 0 1 267.336 3.536 20 0 CHADMN c1[nH]nc2cc(Nc3ccc4ncccc4c3)ccc12 ZINC001174498280 1132865375 /nfs/dbraw/zinc/86/53/75/1132865375.db2.gz AROWCPALIQHIJZ-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN c1[nH]nc2cc(Nc3cccc4cccnc43)ccc12 ZINC001174499541 1132866162 /nfs/dbraw/zinc/86/61/62/1132866162.db2.gz YPSUABSMFCMIAH-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN Cc1c(Nc2ccc3c[nH]nc3c2)cnn1-c1ccccc1 ZINC001159662458 1132885663 /nfs/dbraw/zinc/88/56/63/1132885663.db2.gz YVZVBILJUCGQMS-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN CCOc1cccc(F)c1Nc1ccc2c[nH]nc2c1 ZINC001159662430 1132885824 /nfs/dbraw/zinc/88/58/24/1132885824.db2.gz XRXASNLFXVNGFH-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN COc1ccc(C)c(Nc2ccc3c[nH]nc3c2)c1 ZINC001174500586 1132902624 /nfs/dbraw/zinc/90/26/24/1132902624.db2.gz TVWYDGCXQWUBPC-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cc1nc2c(cccc2Nc2ccc3c[nH]nc3c2)o1 ZINC001174502077 1132902755 /nfs/dbraw/zinc/90/27/55/1132902755.db2.gz SAWYWQKRXNGRJN-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN CC1(C)c2ccc(Nc3ccc4c[nH]nc4c3)cc2NC1=O ZINC001174501011 1132902796 /nfs/dbraw/zinc/90/27/96/1132902796.db2.gz DQNDCVWCDQHUMR-UHFFFAOYSA-N 0 1 292.342 3.536 20 0 CHADMN COc1ccc(Nc2ccc3c[nH]nc3c2)cc1C ZINC001174501497 1132903065 /nfs/dbraw/zinc/90/30/65/1132903065.db2.gz WDAWPGMVWMLNDP-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Fc1cc(F)c(F)c(Nc2ccc3c[nH]nc3c2)c1 ZINC001174502255 1132904495 /nfs/dbraw/zinc/90/44/95/1132904495.db2.gz XHCSGXVUPKBRFH-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN CCc1c(Cl)cc(NC2=CC[NH2+]CC2)c([O-])c1Cl ZINC001159789684 1132909365 /nfs/dbraw/zinc/90/93/65/1132909365.db2.gz GRPSFLUNMAVMQT-UHFFFAOYSA-N 0 1 287.190 3.551 20 0 CHADMN COc1cc(OC)cc([C@H](C)Nc2ncc(C)cc2C)c1 ZINC001159812445 1132911729 /nfs/dbraw/zinc/91/17/29/1132911729.db2.gz QEAIXVHYKUYJLZ-ZDUSSCGKSA-N 0 1 286.375 3.889 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(N)ccc3Cl)ccc12 ZINC001159871241 1132918001 /nfs/dbraw/zinc/91/80/01/1132918001.db2.gz YKRLOUCSBSJLPZ-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Nc1ccc(Cl)c(Nc2ccc3nc[nH]c3c2)c1 ZINC001159875966 1132918421 /nfs/dbraw/zinc/91/84/21/1132918421.db2.gz IRZRVFHWPATLOD-UHFFFAOYSA-N 0 1 258.712 3.542 20 0 CHADMN CC[NH2+]Cc1cccc(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001159961875 1132930157 /nfs/dbraw/zinc/93/01/57/1132930157.db2.gz CDXORIUSPMOFQH-UHFFFAOYSA-N 0 1 296.292 3.663 20 0 CHADMN Cc1cc2ccccc2c(N[C@H](C)c2ncc(F)cn2)n1 ZINC001159966193 1132930540 /nfs/dbraw/zinc/93/05/40/1132930540.db2.gz MTRPHAYMHAKQFS-LLVKDONJSA-N 0 1 282.322 3.645 20 0 CHADMN CCCCCC[C@@H](CC)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC001160104820 1132938653 /nfs/dbraw/zinc/93/86/53/1132938653.db2.gz VPZQIIUACIJJHR-OWCLPIDISA-N 0 1 282.472 3.534 20 0 CHADMN CCCCCC[C@@H](CC)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC001160104820 1132938658 /nfs/dbraw/zinc/93/86/58/1132938658.db2.gz VPZQIIUACIJJHR-OWCLPIDISA-N 0 1 282.472 3.534 20 0 CHADMN c1nc2ccc(Nc3ccnc(OCC4CCC4)c3)cc2[nH]1 ZINC001160224414 1132949690 /nfs/dbraw/zinc/94/96/90/1132949690.db2.gz QSSQCNUDBLKNFE-UHFFFAOYSA-N 0 1 294.358 3.880 20 0 CHADMN Nc1cc(Cl)ccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001160266048 1132954411 /nfs/dbraw/zinc/95/44/11/1132954411.db2.gz GNQKGXWIHNFNRS-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN CC(=O)CC(C)(C)Nc1nc(C)cc2ccccc21 ZINC001160299852 1132958344 /nfs/dbraw/zinc/95/83/44/1132958344.db2.gz LYXANUNILCNFMK-UHFFFAOYSA-N 0 1 256.349 3.713 20 0 CHADMN Cc1cccc2ncc(Nc3ccc4c(c3)CCCO4)n21 ZINC001174720469 1132963245 /nfs/dbraw/zinc/96/32/45/1132963245.db2.gz AURJXFCAJQYTLO-UHFFFAOYSA-N 0 1 279.343 3.711 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCCC[C@@H]3C)n2)cc1 ZINC001160501428 1132973250 /nfs/dbraw/zinc/97/32/50/1132973250.db2.gz LBCIZQXCORTAJD-GXTWGEPZSA-N 0 1 298.390 3.545 20 0 CHADMN CC(C)c1occc1C(=O)Nc1ccc(F)c(F)c1O ZINC001161067368 1132992527 /nfs/dbraw/zinc/99/25/27/1132992527.db2.gz KFMQWOYHLRTVTA-UHFFFAOYSA-N 0 1 281.258 3.639 20 0 CHADMN CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(F)cc2O)CC1 ZINC001161191503 1132995380 /nfs/dbraw/zinc/99/53/80/1132995380.db2.gz KBCALGLBMGQJGK-JSGCOSHPSA-N 0 1 293.382 3.866 20 0 CHADMN COc1ccc(C2(Nc3cc(C)c(C)cn3)CC2)cc1 ZINC001161264729 1132996434 /nfs/dbraw/zinc/99/64/34/1132996434.db2.gz VECUPIUNCIOYLC-UHFFFAOYSA-N 0 1 268.360 3.808 20 0 CHADMN CC(C)N(C(=O)[C@@H](N)c1ccccc1)[C@@H](C)c1ccccc1 ZINC001161442881 1133001518 /nfs/dbraw/zinc/00/15/18/1133001518.db2.gz IFGJJNOATVOXIP-YJBOKZPZSA-N 0 1 296.414 3.685 20 0 CHADMN C[C@@H](CCc1ccccc1)Nc1cccc(CN(C)C)n1 ZINC001161613144 1133008841 /nfs/dbraw/zinc/00/88/41/1133008841.db2.gz SBDYDYNYZIPMPK-HNNXBMFYSA-N 0 1 283.419 3.576 20 0 CHADMN CC(C)CNc1cc(OCc2ccccc2)ccn1 ZINC001161645056 1133014034 /nfs/dbraw/zinc/01/40/34/1133014034.db2.gz QLOUIFJGBYQVOS-UHFFFAOYSA-N 0 1 256.349 3.729 20 0 CHADMN Cc1cnc(NCC2(C)CCC(F)(F)CC2)c(N)c1 ZINC001162031014 1133048865 /nfs/dbraw/zinc/04/88/65/1133048865.db2.gz VYELYMDAWAMWAP-UHFFFAOYSA-N 0 1 269.339 3.600 20 0 CHADMN C[C@H]1CCC[C@@H](CNc2ccncc2C(F)(F)F)C1 ZINC001162266531 1133065105 /nfs/dbraw/zinc/06/51/05/1133065105.db2.gz DTFOVXSUTOURTI-WDEREUQCSA-N 0 1 272.314 3.761 20 0 CHADMN CC[C@H](C)C[C@H](C)Nc1ccncc1C(F)(F)F ZINC001162605409 1133093769 /nfs/dbraw/zinc/09/37/69/1133093769.db2.gz NCLNUWMLMBJGTA-UWVGGRQHSA-N 0 1 260.303 3.759 20 0 CHADMN Cc1cnc(NC[C@@H](O)c2cc3ccccc3o2)c(C)c1 ZINC001162695298 1133103814 /nfs/dbraw/zinc/10/38/14/1133103814.db2.gz KPVSJQDTMXHZGK-CQSZACIVSA-N 0 1 282.343 3.590 20 0 CHADMN Cc1cc2cc[nH]c2c(NCc2cn(C)c3ccccc23)n1 ZINC001162827676 1133115474 /nfs/dbraw/zinc/11/54/74/1133115474.db2.gz PCZFJRMRABTOMQ-UHFFFAOYSA-N 0 1 290.370 3.975 20 0 CHADMN Cc1nn(C)c(C)c1CNc1nccc2cc(C)ccc21 ZINC001162878715 1133119071 /nfs/dbraw/zinc/11/90/71/1133119071.db2.gz SFOLYVQFQBYUPZ-UHFFFAOYSA-N 0 1 280.375 3.506 20 0 CHADMN CCCCc1cc(Nc2cc3cn[nH]c3cc2C)ncn1 ZINC001163042410 1133127395 /nfs/dbraw/zinc/12/73/95/1133127395.db2.gz QHDJITCNGUEMPF-UHFFFAOYSA-N 0 1 281.363 3.748 20 0 CHADMN CC(C)C(C)(C)CNc1ccncc1C(F)(F)F ZINC001163076087 1133129586 /nfs/dbraw/zinc/12/95/86/1133129586.db2.gz HLAGTXAVWCJOEW-UHFFFAOYSA-N 0 1 260.303 3.616 20 0 CHADMN Cc1cnc(N[C@@H]2CCCc3ccncc32)c(C)c1 ZINC001163166809 1133132972 /nfs/dbraw/zinc/13/29/72/1133132972.db2.gz OPIBGWXVWLGSBJ-OAHLLOKOSA-N 0 1 253.349 3.583 20 0 CHADMN COc1cnccc1[C@@H](Nc1ncc(C)cc1C)C1CC1 ZINC001163398852 1133147881 /nfs/dbraw/zinc/14/78/81/1133147881.db2.gz QCEFUVFMGCLEAE-INIZCTEOSA-N 0 1 283.375 3.665 20 0 CHADMN COc1ccc(NC(=N)C23CC4CC(CC(C4)C2)C3)nc1 ZINC001163839275 1133178190 /nfs/dbraw/zinc/17/81/90/1133178190.db2.gz IEJKYTRCTNSHCU-UHFFFAOYSA-N 0 1 285.391 3.696 20 0 CHADMN N=C(Nc1cccn2ccnc12)C12CC3CC(CC(C3)C1)C2 ZINC001163844216 1133178226 /nfs/dbraw/zinc/17/82/26/1133178226.db2.gz OKKJQCGVVXRVDP-UHFFFAOYSA-N 0 1 294.402 3.940 20 0 CHADMN Cc1ccnc(NCc2cc3ccccc3n2C)c1C ZINC001163932358 1133185241 /nfs/dbraw/zinc/18/52/41/1133185241.db2.gz ROTVYPVDFDAIPE-UHFFFAOYSA-N 0 1 265.360 3.802 20 0 CHADMN Cn1ccc2c1nccc2NCc1cc2ccccc2n1C ZINC001163950445 1133186614 /nfs/dbraw/zinc/18/66/14/1133186614.db2.gz MMUIRWYNNHZCAS-UHFFFAOYSA-N 0 1 290.370 3.677 20 0 CHADMN Cc1cnc(N2CCc3ccccc3[C@H]2C)cc1C ZINC001163955678 1133187617 /nfs/dbraw/zinc/18/76/17/1133187617.db2.gz ATMMOASRCXAZRG-CQSZACIVSA-N 0 1 252.361 3.822 20 0 CHADMN COc1ccc(O[C@H](C)CNc2nccc(C)c2C)cc1 ZINC001164041738 1133194032 /nfs/dbraw/zinc/19/40/32/1133194032.db2.gz MPOAVPXDKXGOHB-CYBMUJFWSA-N 0 1 286.375 3.586 20 0 CHADMN Cc1[nH]nc(CNc2nc3c(cc(C)cc3C)s2)c1C ZINC001164047044 1133194777 /nfs/dbraw/zinc/19/47/77/1133194777.db2.gz WKZGUTHDVDVJCV-UHFFFAOYSA-N 0 1 286.404 3.865 20 0 CHADMN CNc1ccc(CNc2cc(OC(C)(C)C)ccn2)cc1 ZINC001164158880 1133202842 /nfs/dbraw/zinc/20/28/42/1133202842.db2.gz DOLOIUAACJAWNL-UHFFFAOYSA-N 0 1 285.391 3.913 20 0 CHADMN FC(F)(F)c1cnccc1NC[C@@H]1C[C@H]1C1CCCC1 ZINC001164380007 1133217083 /nfs/dbraw/zinc/21/70/83/1133217083.db2.gz QQDTYUPBVWEXIM-RYUDHWBXSA-N 0 1 284.325 3.761 20 0 CHADMN FC(F)(F)C1(c2cc(NCCn3cccc3)ccn2)CC1 ZINC001164455292 1133220401 /nfs/dbraw/zinc/22/04/01/1133220401.db2.gz RJAFKAHDWCXSOD-UHFFFAOYSA-N 0 1 295.308 3.589 20 0 CHADMN c1ccc(COc2ccnc(NC[C@@H]3CCCCO3)c2)cc1 ZINC001164674137 1133226595 /nfs/dbraw/zinc/22/65/95/1133226595.db2.gz SOCJWZPXPFVAFF-KRWDZBQOSA-N 0 1 298.386 3.642 20 0 CHADMN Cc1cnc(N2Cc3ccccc3[C@@H](C)C2)cc1C ZINC001165216850 1133230212 /nfs/dbraw/zinc/23/02/12/1133230212.db2.gz UMUWDBCVLGXCKQ-AWEZNQCLSA-N 0 1 252.361 3.822 20 0 CHADMN CCc1ccc(CN2CCC3(CCC(=O)CC3)CC2)o1 ZINC001204395625 1133230881 /nfs/dbraw/zinc/23/08/81/1133230881.db2.gz VVKPDFJUDIACMJ-UHFFFAOYSA-N 0 1 275.392 3.567 20 0 CHADMN COCC(C)(C)Nc1ccnc2ccc(C(F)(F)F)cc21 ZINC001166039544 1133257692 /nfs/dbraw/zinc/25/76/92/1133257692.db2.gz SOYZKEJDGVXRRI-UHFFFAOYSA-N 0 1 298.308 3.512 20 0 CHADMN C(=C/c1ccccc1)\CNc1cc(OCC2CC2)ccn1 ZINC001166097146 1133258990 /nfs/dbraw/zinc/25/89/90/1133258990.db2.gz NOEFDWMXXCPCKA-QPJJXVBHSA-N 0 1 280.371 3.996 20 0 CHADMN Cc1nc2cc(NC/C=C/c3ccccc3)ccc2[nH]1 ZINC001166097482 1133259502 /nfs/dbraw/zinc/25/95/02/1133259502.db2.gz WPWJBLWUSBLMDI-VMPITWQZSA-N 0 1 263.344 3.997 20 0 CHADMN Cc1ccc(N2CCCC[C@H]2c2cccnc2)nc1C ZINC001166576532 1133272560 /nfs/dbraw/zinc/27/25/60/1133272560.db2.gz YNARENDBXYPMBU-INIZCTEOSA-N 0 1 267.376 3.825 20 0 CHADMN Cc1cnc(N(C)Cc2cccc3cccnc32)cc1C ZINC001166687872 1133283027 /nfs/dbraw/zinc/28/30/27/1133283027.db2.gz FQHXQSHPCJWFLP-UHFFFAOYSA-N 0 1 277.371 3.883 20 0 CHADMN CCC(CC)CN(CC)Cc1nc(C2CCC2)no1 ZINC001166997175 1133297201 /nfs/dbraw/zinc/29/72/01/1133297201.db2.gz OXLUERDFBPFENB-UHFFFAOYSA-N 0 1 265.401 3.595 20 0 CHADMN COC(=O)c1cccc([C@H]2CCCN2Cc2ccc(C)o2)c1 ZINC001203300205 1133312222 /nfs/dbraw/zinc/31/22/22/1133312222.db2.gz CCDQNUKTAPJLRV-QGZVFWFLSA-N 0 1 299.370 3.712 20 0 CHADMN FC[C@@]1(C(F)(F)F)CCN(Cc2ccccc2F)C1 ZINC001203345911 1133316520 /nfs/dbraw/zinc/31/65/20/1133316520.db2.gz BTVBETNXHFEXNF-LBPRGKRZSA-N 0 1 279.252 3.550 20 0 CHADMN C[C@@H]1CN(Cc2c(F)cccc2Cl)C2(CC2)C1 ZINC001203411138 1133323546 /nfs/dbraw/zinc/32/35/46/1133323546.db2.gz PXCIJOQVDOBNKY-JTQLQIEISA-N 0 1 253.748 3.854 20 0 CHADMN COc1ccc(CN2CCc3ccccc3[C@H]2C)c(OC)c1 ZINC001203470776 1133331378 /nfs/dbraw/zinc/33/13/78/1133331378.db2.gz FUPPIPNBBVOGTJ-CQSZACIVSA-N 0 1 297.398 3.823 20 0 CHADMN COc1ccc(CN2CCc3cc(C)ccc3C2)c(OC)c1 ZINC001203484155 1133333266 /nfs/dbraw/zinc/33/32/66/1133333266.db2.gz GHTWIVDJWTXVDE-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN COc1ccc2c(c1)nccc2-n1ccc2cccc(N)c21 ZINC001203528412 1133336684 /nfs/dbraw/zinc/33/66/84/1133336684.db2.gz NTQXCACQLDGMGN-UHFFFAOYSA-N 0 1 289.338 3.770 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccccc1O ZINC001203525958 1133337094 /nfs/dbraw/zinc/33/70/94/1133337094.db2.gz KFCAACIMNJUKQC-UHFFFAOYSA-N 0 1 266.300 3.693 20 0 CHADMN CC(C)(C)Oc1cccc(CNCc2cnsc2)c1 ZINC001203566091 1133341002 /nfs/dbraw/zinc/34/10/02/1133341002.db2.gz OECUTDLNBPRKAO-UHFFFAOYSA-N 0 1 276.405 3.610 20 0 CHADMN Nc1nc2ccccc2n1-c1cccnc1-c1ccccc1 ZINC001203647645 1133348045 /nfs/dbraw/zinc/34/80/45/1133348045.db2.gz UTHPWUOHCKUQEL-UHFFFAOYSA-N 0 1 286.338 3.670 20 0 CHADMN COc1cc(C)c(CN(C)Cc2ccc(C)nc2)cc1C ZINC001203757282 1133366841 /nfs/dbraw/zinc/36/68/41/1133366841.db2.gz DODJSEFHLVUJAA-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN Fc1cccc(C[N@H+]2CC[C@H](OCc3ccccc3)C2)c1 ZINC001203787157 1133368022 /nfs/dbraw/zinc/36/80/22/1133368022.db2.gz RYMCXHGXQDINHR-SFHVURJKSA-N 0 1 285.362 3.617 20 0 CHADMN Fc1cccc(CN2CC[C@H](OCc3ccccc3)C2)c1 ZINC001203787157 1133368027 /nfs/dbraw/zinc/36/80/27/1133368027.db2.gz RYMCXHGXQDINHR-SFHVURJKSA-N 0 1 285.362 3.617 20 0 CHADMN Cc1ccc2c(c1)C[N@H+](Cc1cccc(F)c1)CC2 ZINC001203784117 1133368164 /nfs/dbraw/zinc/36/81/64/1133368164.db2.gz GRGZSZRTTFBRGO-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1cccc(F)c1)CC2 ZINC001203784117 1133368169 /nfs/dbraw/zinc/36/81/69/1133368169.db2.gz GRGZSZRTTFBRGO-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN FC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001203784138 1133368480 /nfs/dbraw/zinc/36/84/80/1133368480.db2.gz HTZUSLXMFBPYCI-LBPRGKRZSA-N 0 1 279.252 3.550 20 0 CHADMN FC[C@@]1(C(F)(F)F)CCN(Cc2cccc(F)c2)C1 ZINC001203784138 1133368483 /nfs/dbraw/zinc/36/84/83/1133368483.db2.gz HTZUSLXMFBPYCI-LBPRGKRZSA-N 0 1 279.252 3.550 20 0 CHADMN CC1(C)C[N@@H+](Cc2cccc(F)c2)CCC1(F)F ZINC001203784075 1133368938 /nfs/dbraw/zinc/36/89/38/1133368938.db2.gz CXBGBKNFVORRQX-UHFFFAOYSA-N 0 1 257.299 3.693 20 0 CHADMN F[C@H]1CCN(Cc2cccc(Cl)c2)CCC1(F)F ZINC001203796734 1133369277 /nfs/dbraw/zinc/36/92/77/1133369277.db2.gz SNYBEERNYJSPDP-LBPRGKRZSA-N 0 1 277.717 3.909 20 0 CHADMN C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2)CCC[C@@H]1O ZINC001203808721 1133370462 /nfs/dbraw/zinc/37/04/62/1133370462.db2.gz RQTZAMJIJBTBGT-HZMBPMFUSA-N 0 1 288.218 3.586 20 0 CHADMN FC(F)(F)c1cccc(CN2CCC3(CCCO3)CC2)c1 ZINC001203886185 1133380145 /nfs/dbraw/zinc/38/01/45/1133380145.db2.gz QURQLHXYEZUGQH-UHFFFAOYSA-N 0 1 299.336 3.850 20 0 CHADMN Cl/C=C\CNCc1ccc(Cl)c(Br)c1 ZINC001203954680 1133389400 /nfs/dbraw/zinc/38/94/00/1133389400.db2.gz UXCGKTORENSABR-RJRFIUFISA-N 0 1 295.007 3.945 20 0 CHADMN CC(=O)Oc1ccc(CN2CC[C@H]2c2ccccc2)cc1 ZINC001203952272 1133390585 /nfs/dbraw/zinc/39/05/85/1133390585.db2.gz XGTDXNROQYXMNC-SFHVURJKSA-N 0 1 281.355 3.559 20 0 CHADMN COc1ccc(CN2CCC[C@@H](F)C2)c2ccccc12 ZINC001203992358 1133395086 /nfs/dbraw/zinc/39/50/86/1133395086.db2.gz JAPSBAXRAMQEEJ-CQSZACIVSA-N 0 1 273.351 3.782 20 0 CHADMN Cc1cccc(C)c1N1CCN(Cc2cccs2)CC1 ZINC001204016798 1133399232 /nfs/dbraw/zinc/39/92/32/1133399232.db2.gz JPUNMKWOEKAFBQ-UHFFFAOYSA-N 0 1 286.444 3.687 20 0 CHADMN Cc1ccsc1CN(C)CCC(=O)c1cccs1 ZINC001204023257 1133400920 /nfs/dbraw/zinc/40/09/20/1133400920.db2.gz DKKCQPFZASUNQR-UHFFFAOYSA-N 0 1 279.430 3.823 20 0 CHADMN Fc1ccc(F)c(O[C@@H]2CCN(Cc3ccsc3)C2)c1 ZINC001204039253 1133401938 /nfs/dbraw/zinc/40/19/38/1133401938.db2.gz RWGSEEUVCKXBJG-CYBMUJFWSA-N 0 1 295.354 3.680 20 0 CHADMN CN(Cc1c[nH]c2ccccc12)Cc1ccccc1F ZINC001204043441 1133404380 /nfs/dbraw/zinc/40/43/80/1133404380.db2.gz UQOUCGVPLSWQCT-UHFFFAOYSA-N 0 1 268.335 3.939 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC001204154448 1133411812 /nfs/dbraw/zinc/41/18/12/1133411812.db2.gz JGICLLCUDZGUEK-KRWDZBQOSA-N 0 1 296.370 3.507 20 0 CHADMN CC(C)c1ccc(CN2CCc3cccnc3C2)cc1 ZINC001204167852 1133413145 /nfs/dbraw/zinc/41/31/45/1133413145.db2.gz DKOTUAXSESHZSC-UHFFFAOYSA-N 0 1 266.388 3.763 20 0 CHADMN C[C@H]1CN(Cc2nccn2C2CC2)CC[C@@H]1c1ccccc1 ZINC001204205112 1133419942 /nfs/dbraw/zinc/41/99/42/1133419942.db2.gz OJTAGOVQXXICDH-YJBOKZPZSA-N 0 1 295.430 3.844 20 0 CHADMN Fc1ccc(CN2CCC[C@@H](F)CC2)cc1Cl ZINC001204280159 1133427182 /nfs/dbraw/zinc/42/71/82/1133427182.db2.gz GQUNTEVLGAXVMZ-LLVKDONJSA-N 0 1 259.727 3.803 20 0 CHADMN CC(C)CN(Cc1nn(C)cc1Cl)CC(C)(C)C ZINC001204313355 1133435226 /nfs/dbraw/zinc/43/52/26/1133435226.db2.gz JXQCMXQDHILTPM-UHFFFAOYSA-N 0 1 271.836 3.578 20 0 CHADMN CCCCCOc1ccc(CN2CC3(CSC3)C2)cc1 ZINC001204311512 1133435390 /nfs/dbraw/zinc/43/53/90/1133435390.db2.gz HEULKANWAIMCLU-UHFFFAOYSA-N 0 1 291.460 3.804 20 0 CHADMN Cn1cc(C[N@@H+](C)Cc2ccc(Cl)nc2)c2ccccc21 ZINC001204319761 1133436817 /nfs/dbraw/zinc/43/68/17/1133436817.db2.gz ARYMVXHKOVRXAM-UHFFFAOYSA-N 0 1 299.805 3.859 20 0 CHADMN CN(Cc1cn(C)c2ccccc12)Cc1ccc(Cl)nc1 ZINC001204319761 1133436820 /nfs/dbraw/zinc/43/68/20/1133436820.db2.gz ARYMVXHKOVRXAM-UHFFFAOYSA-N 0 1 299.805 3.859 20 0 CHADMN Cn1cc(CN2CCc3ccc(F)cc3C2)c2ccccc21 ZINC001204325273 1133438308 /nfs/dbraw/zinc/43/83/08/1133438308.db2.gz QSBQWWYANISBBD-UHFFFAOYSA-N 0 1 294.373 3.876 20 0 CHADMN C1=CCN(Cc2ccccc2OCc2ccccc2)C1 ZINC001204329587 1133438676 /nfs/dbraw/zinc/43/86/76/1133438676.db2.gz RBTQOOJCJYQVKH-UHFFFAOYSA-N 0 1 265.356 3.637 20 0 CHADMN FC(F)(F)Oc1ccc(CN2CC3(CCC3)C2)cc1 ZINC001204414453 1133444370 /nfs/dbraw/zinc/44/43/70/1133444370.db2.gz FYRIXZWIPMPJTG-UHFFFAOYSA-N 0 1 271.282 3.571 20 0 CHADMN FC1(F)C[C@H]2CN(Cc3ccc(Cl)s3)C[C@H]2C1 ZINC001204440944 1133447665 /nfs/dbraw/zinc/44/76/65/1133447665.db2.gz UUZRGPBTUJCMDX-DTORHVGOSA-N 0 1 277.767 3.879 20 0 CHADMN Cc1c(F)cccc1CN1CC[C@](CF)(C(F)(F)F)C1 ZINC001204508760 1133454757 /nfs/dbraw/zinc/45/47/57/1133454757.db2.gz RZNUKLODAXQSAD-CYBMUJFWSA-N 0 1 293.279 3.858 20 0 CHADMN COc1ccc2cc(CN3CCC(=O)[C@@H](C)CC3)ccc2c1 ZINC001204516010 1133456773 /nfs/dbraw/zinc/45/67/73/1133456773.db2.gz SQSKTCFHRFWXHR-AWEZNQCLSA-N 0 1 297.398 3.649 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccccn2)oc1C ZINC001204534568 1133458768 /nfs/dbraw/zinc/45/87/68/1133458768.db2.gz IVJPILWHKXCNJH-MRXNPFEDSA-N 0 1 256.349 3.629 20 0 CHADMN CC[C@@H]1CCN(Cc2cc(F)ccc2Br)C1 ZINC001204545003 1133460735 /nfs/dbraw/zinc/46/07/35/1133460735.db2.gz ZNNAGKZZLOBTRL-SNVBAGLBSA-N 0 1 286.188 3.820 20 0 CHADMN Clc1ccc(Cl)c(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c1 ZINC001204568801 1133463983 /nfs/dbraw/zinc/46/39/83/1133463983.db2.gz PKQDBUPNTIFJGS-QMTHXVAHSA-N 0 1 286.202 3.604 20 0 CHADMN Clc1ccc(Cl)c(CN2CC[C@H]3OCC[C@@H]3C2)c1 ZINC001204568801 1133463986 /nfs/dbraw/zinc/46/39/86/1133463986.db2.gz PKQDBUPNTIFJGS-QMTHXVAHSA-N 0 1 286.202 3.604 20 0 CHADMN CCOC(=O)[C@@H]1CCCCN1C[C@@H](C)c1ccc(C)cc1 ZINC001204601848 1133466246 /nfs/dbraw/zinc/46/62/46/1133466246.db2.gz PDFOTJMRPLBLRE-WBVHZDCISA-N 0 1 289.419 3.516 20 0 CHADMN CSCc1ccc(C[N@H+]2CC(C)(C)OCC2(C)C)cc1 ZINC001204647705 1133471256 /nfs/dbraw/zinc/47/12/56/1133471256.db2.gz IQGKROZNKJUJBR-UHFFFAOYSA-N 0 1 293.476 3.939 20 0 CHADMN CC(C)Oc1ccc(F)c(-c2cccc3[nH]nnc32)c1F ZINC001204663096 1133472839 /nfs/dbraw/zinc/47/28/39/1133472839.db2.gz WACYNXAXFZMOIX-UHFFFAOYSA-N 0 1 289.285 3.690 20 0 CHADMN CC(C)c1ccc(Cl)c(-c2ncc3c(n2)CNC3)c1 ZINC001204680859 1133475407 /nfs/dbraw/zinc/47/54/07/1133475407.db2.gz QWAXSNVVYZGGGA-UHFFFAOYSA-N 0 1 273.767 3.524 20 0 CHADMN CN(Cc1ccc(-c2cccc(Cl)c2)o1)[C@@H]1CCOC1 ZINC001204710144 1133477697 /nfs/dbraw/zinc/47/76/97/1133477697.db2.gz BSBDVEFMTWXCPW-CQSZACIVSA-N 0 1 291.778 3.821 20 0 CHADMN Cc1occc1CN(C)Cc1cccc2c1CCC2 ZINC001204736934 1133481059 /nfs/dbraw/zinc/48/10/59/1133481059.db2.gz RUGZXNWXPGRWKE-UHFFFAOYSA-N 0 1 255.361 3.709 20 0 CHADMN CN[C@H](c1nc(-c2cccc3ccoc32)no1)C(C)(C)C ZINC001204895198 1133497014 /nfs/dbraw/zinc/49/70/14/1133497014.db2.gz KOVNSFBGNIYTAM-CYBMUJFWSA-N 0 1 285.347 3.789 20 0 CHADMN CN[C@H](c1nc(-c2ccc3cnccc3c2)no1)C(C)(C)C ZINC001204895137 1133497562 /nfs/dbraw/zinc/49/75/62/1133497562.db2.gz JMMKNKGBYSZYCV-CQSZACIVSA-N 0 1 296.374 3.591 20 0 CHADMN COc1cccc2c(CN3CCO[C@H](C(C)C)C3)cccc12 ZINC001204977321 1133511252 /nfs/dbraw/zinc/51/12/52/1133511252.db2.gz VZCWHWTZMGEYMA-IBGZPJMESA-N 0 1 299.414 3.705 20 0 CHADMN CC(C)COC1CN(CC2CCC(C(C)C)CC2)C1 ZINC001205000629 1133515065 /nfs/dbraw/zinc/51/50/65/1133515065.db2.gz MYBTVYABTPFJAI-UHFFFAOYSA-N 0 1 267.457 3.806 20 0 CHADMN CN(Cc1ccco1)Cc1cc2c(cccc2O)s1 ZINC001205023634 1133517823 /nfs/dbraw/zinc/51/78/23/1133517823.db2.gz FUTCLPITNVEWPV-UHFFFAOYSA-N 0 1 273.357 3.832 20 0 CHADMN CCc1[nH]nc(Cl)c1CN(C)[C@@H]1CCC[C@H](C)C1 ZINC001205076679 1133523643 /nfs/dbraw/zinc/52/36/43/1133523643.db2.gz DVOQYKIIEITNKX-WDEREUQCSA-N 0 1 269.820 3.636 20 0 CHADMN CCOC(=O)c1ccc(CN2CC(C)(C)CC(C)(C)C2)o1 ZINC001205238615 1133549124 /nfs/dbraw/zinc/54/91/24/1133549124.db2.gz URNOTPFOUWMGJS-UHFFFAOYSA-N 0 1 293.407 3.714 20 0 CHADMN Cc1ccc(CN(C)CCC(=O)c2ccccc2)cc1F ZINC001205236592 1133549404 /nfs/dbraw/zinc/54/94/04/1133549404.db2.gz QQIGOUMVEDVMBG-UHFFFAOYSA-N 0 1 285.362 3.839 20 0 CHADMN C[C@H]1COc2ccccc2CN1Cc1ccc2[nH]ccc2c1 ZINC001205391826 1133572914 /nfs/dbraw/zinc/57/29/14/1133572914.db2.gz UKSDMMSIRFSIFP-AWEZNQCLSA-N 0 1 292.382 3.951 20 0 CHADMN O=C1CCN(Cc2ccc3[nH]ccc3c2)[C@H]2CCCC[C@@H]12 ZINC001205563199 1133588031 /nfs/dbraw/zinc/58/80/31/1133588031.db2.gz LBMNEKSDFCEMJD-WBVHZDCISA-N 0 1 282.387 3.502 20 0 CHADMN CCN(Cc1cnn(CC)c1)Cc1ccc(C)c(C)c1 ZINC001205556974 1133588236 /nfs/dbraw/zinc/58/82/36/1133588236.db2.gz CEAMSMLBZZZDTJ-UHFFFAOYSA-N 0 1 271.408 3.542 20 0 CHADMN C[N@@H+](Cc1ccc2[nH]ccc2c1)Cc1ccccc1F ZINC001205594808 1133592600 /nfs/dbraw/zinc/59/26/00/1133592600.db2.gz ZCEHZVDSZKUFON-UHFFFAOYSA-N 0 1 268.335 3.939 20 0 CHADMN CN(Cc1ccc2[nH]ccc2c1)Cc1ccccc1F ZINC001205594808 1133592605 /nfs/dbraw/zinc/59/26/05/1133592605.db2.gz ZCEHZVDSZKUFON-UHFFFAOYSA-N 0 1 268.335 3.939 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H](C)CC1)c1nc(C(C)(C)C)no1 ZINC001205651031 1133598748 /nfs/dbraw/zinc/59/87/48/1133598748.db2.gz ZAUNVRDTFAFCBJ-FRRDWIJNSA-N 0 1 279.428 3.987 20 0 CHADMN Cc1cc(Nc2cnn(CC(C)C)c2)c2ccccc2n1 ZINC001205837549 1133621249 /nfs/dbraw/zinc/62/12/49/1133621249.db2.gz PJGHVHRQDBPADJ-UHFFFAOYSA-N 0 1 280.375 3.561 20 0 CHADMN CSCc1ccc(CN2CCC[C@@](C)(F)C2)cc1 ZINC001205960472 1133635297 /nfs/dbraw/zinc/63/52/97/1133635297.db2.gz QWEFBZOYSQVGPP-OAHLLOKOSA-N 0 1 267.413 3.874 20 0 CHADMN CC(C)[C@@H]1N(Cc2nc3cc(F)ccc3o2)CC12CCC2 ZINC001206031731 1133645068 /nfs/dbraw/zinc/64/50/68/1133645068.db2.gz KKWXRBMAKVKFSI-INIZCTEOSA-N 0 1 288.366 3.977 20 0 CHADMN CCCCOc1ccc(-c2cc(N)c(C)cn2)c(F)c1 ZINC001206105641 1133657369 /nfs/dbraw/zinc/65/73/69/1133657369.db2.gz FPKUWWODUGGBJU-UHFFFAOYSA-N 0 1 274.339 3.957 20 0 CHADMN Cc1cc(O)cc(-c2cccc(CN(C)C)c2F)c1 ZINC001206262549 1133678548 /nfs/dbraw/zinc/67/85/48/1133678548.db2.gz ZTBAPKBODFNUOP-UHFFFAOYSA-N 0 1 259.324 3.568 20 0 CHADMN Cc1nc(F)ccc1CN1CC(c2ccccc2)(C(C)C)C1 ZINC001206320140 1133689131 /nfs/dbraw/zinc/68/91/31/1133689131.db2.gz GWBDYLFVYKZRMQ-UHFFFAOYSA-N 0 1 298.405 3.939 20 0 CHADMN COc1cnccc1CN(Cc1ccccc1)C(C)(C)C ZINC001206438278 1133703336 /nfs/dbraw/zinc/70/33/36/1133703336.db2.gz OYCPDRPQNKIPTI-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN C[C@@H]1CN(CC2Cc3ccccc3C2)CC2(CCCCC2)O1 ZINC001206489604 1133709141 /nfs/dbraw/zinc/70/91/41/1133709141.db2.gz CVGUHKDEVOCLOS-MRXNPFEDSA-N 0 1 299.458 3.825 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(Br)cn2)C[C@H]1C ZINC001206499459 1133710947 /nfs/dbraw/zinc/71/09/47/1133710947.db2.gz DHPLLXOQIPVQKQ-VXGBXAGGSA-N 0 1 297.240 3.712 20 0 CHADMN CC[C@@H]1CN(Cc2[nH]ncc2C)c2cccc(Cl)c2O1 ZINC001206513965 1133712601 /nfs/dbraw/zinc/71/26/01/1133712601.db2.gz JTXQDAJVMIKGBJ-LLVKDONJSA-N 0 1 291.782 3.549 20 0 CHADMN Cc1cc(CN2CCc3ccc(C)cc3C2)c(C)o1 ZINC001206585484 1133722513 /nfs/dbraw/zinc/72/25/13/1133722513.db2.gz SQBNMMSWVOEYIW-UHFFFAOYSA-N 0 1 255.361 3.763 20 0 CHADMN Oc1cc(F)c(-c2ncccc2C(F)(F)F)cc1F ZINC001206756167 1133741971 /nfs/dbraw/zinc/74/19/71/1133741971.db2.gz VIJRXYFFPXZZEF-UHFFFAOYSA-N 0 1 275.176 3.751 20 0 CHADMN CC(C)n1ccc2c1ncnc2-c1cc(F)c(O)cc1F ZINC001206767718 1133745742 /nfs/dbraw/zinc/74/57/42/1133745742.db2.gz IQFTWWATQPWYPP-UHFFFAOYSA-N 0 1 289.285 3.663 20 0 CHADMN CC[C@H](C)N(C)Cc1cc(-c2ccc(OC)cc2)on1 ZINC001206825770 1133753217 /nfs/dbraw/zinc/75/32/17/1133753217.db2.gz QRPYENNMLHTPAC-LBPRGKRZSA-N 0 1 274.364 3.581 20 0 CHADMN C[C@@H]1CN(Cc2cc(-c3ccc(F)cc3)on2)C2(CC2)C1 ZINC001206838612 1133753384 /nfs/dbraw/zinc/75/33/84/1133753384.db2.gz PQUNHECXGDXZPL-LBPRGKRZSA-N 0 1 286.350 3.855 20 0 CHADMN C[C@H]1CCCN(Cc2cc(-c3ccc(F)cc3)on2)C1 ZINC001206833018 1133754148 /nfs/dbraw/zinc/75/41/48/1133754148.db2.gz FGNIYDZWHLQYMV-LBPRGKRZSA-N 0 1 274.339 3.713 20 0 CHADMN C[C@]1(CF)CCN(Cc2cc(-c3ccccc3)on2)C1 ZINC001206841913 1133754509 /nfs/dbraw/zinc/75/45/09/1133754509.db2.gz BLZWGHFLCIQNDZ-MRXNPFEDSA-N 0 1 274.339 3.523 20 0 CHADMN CN(CCC1CC1)Cc1cc(-c2ccccc2)on1 ZINC001206848140 1133755551 /nfs/dbraw/zinc/75/55/51/1133755551.db2.gz QNBCYNJAXRHIRD-UHFFFAOYSA-N 0 1 256.349 3.574 20 0 CHADMN CN(Cc1cc(-c2ccccc2)on1)CC1CCC1 ZINC001206844568 1133755962 /nfs/dbraw/zinc/75/59/62/1133755962.db2.gz WWGJQWFQFWUISQ-UHFFFAOYSA-N 0 1 256.349 3.574 20 0 CHADMN Fc1cccnc1CN1CCC(Cc2ccccc2)CC1 ZINC001207026453 1133761217 /nfs/dbraw/zinc/76/12/17/1133761217.db2.gz JWJODNHEGKVNDC-UHFFFAOYSA-N 0 1 284.378 3.675 20 0 CHADMN CCOc1ccc([C@H]2CCC[N@H+]2Cc2cccc(=O)[nH]2)cc1 ZINC001207070656 1133764245 /nfs/dbraw/zinc/76/42/45/1133764245.db2.gz AUMMHPVVUMAULE-QGZVFWFLSA-N 0 1 298.386 3.523 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2cccc(=O)[nH]2)cc1 ZINC001207070656 1133764251 /nfs/dbraw/zinc/76/42/51/1133764251.db2.gz AUMMHPVVUMAULE-QGZVFWFLSA-N 0 1 298.386 3.523 20 0 CHADMN COc1cccc([C@H]2CCCC[N@H+]2Cc2cccc(=O)[nH]2)c1 ZINC001207070687 1133764641 /nfs/dbraw/zinc/76/46/41/1133764641.db2.gz CGRLCPFYDQKVJT-QGZVFWFLSA-N 0 1 298.386 3.523 20 0 CHADMN COc1cccc([C@H]2CCCCN2Cc2cccc(=O)[nH]2)c1 ZINC001207070687 1133764647 /nfs/dbraw/zinc/76/46/47/1133764647.db2.gz CGRLCPFYDQKVJT-QGZVFWFLSA-N 0 1 298.386 3.523 20 0 CHADMN Cc1cnc(CN(Cc2ccccn2)C2CCCCC2)cn1 ZINC001207078718 1133766277 /nfs/dbraw/zinc/76/62/77/1133766277.db2.gz NYHPEGHPJKWRAY-UHFFFAOYSA-N 0 1 296.418 3.515 20 0 CHADMN CN(Cc1c(F)cccc1OC(F)F)CC(C)(C)C ZINC001207112141 1133768376 /nfs/dbraw/zinc/76/83/76/1133768376.db2.gz FXICMDMWXRZFMQ-UHFFFAOYSA-N 0 1 275.314 3.905 20 0 CHADMN CC1CC(N(C)Cc2c(F)cccc2OC(F)F)C1 ZINC001207112032 1133768837 /nfs/dbraw/zinc/76/88/37/1133768837.db2.gz UFGJVBQVPCNXQM-UHFFFAOYSA-N 0 1 273.298 3.657 20 0 CHADMN Cc1noc(C)c1CN1CCC[C@@H]1c1ccccc1F ZINC001207137664 1133772120 /nfs/dbraw/zinc/77/21/20/1133772120.db2.gz MBVDKRWULZAAAU-MRXNPFEDSA-N 0 1 274.339 3.768 20 0 CHADMN Clc1ccc([C@H]2C[C@@H]2CN2CCn3cccc3C2)cc1 ZINC001207188707 1133777340 /nfs/dbraw/zinc/77/73/40/1133777340.db2.gz VNAJFLHUFCNNBI-RHSMWYFYSA-N 0 1 286.806 3.761 20 0 CHADMN CC1(C)CN(C[C@H]2C[C@H]2c2ccc(Cl)cc2)CCC1=O ZINC001207194712 1133779112 /nfs/dbraw/zinc/77/91/12/1133779112.db2.gz YUOHWEBWUPSOJL-HIFRSBDPSA-N 0 1 291.822 3.745 20 0 CHADMN CC(C)[C@@H]1C[C@@H](N[C@@H](CF)c2ccc(F)cc2)CS1 ZINC001207224879 1133779805 /nfs/dbraw/zinc/77/98/05/1133779805.db2.gz AWRLYFMZXAPMGJ-ILXRZTDVSA-N 0 1 285.403 3.956 20 0 CHADMN CC1=CC[C@@H](CCN2CC(Oc3cccnc3)C2)C1(C)C ZINC001207278636 1133786995 /nfs/dbraw/zinc/78/69/95/1133786995.db2.gz HPBRRRFRZBAEMH-HNNXBMFYSA-N 0 1 286.419 3.527 20 0 CHADMN C[C@@]1(F)CCN(CC2CCC(F)(F)CC2)C[C@@H]1F ZINC001207342749 1133793254 /nfs/dbraw/zinc/79/32/54/1133793254.db2.gz NAJZMFWKZAIKBQ-NWDGAFQWSA-N 0 1 267.310 3.584 20 0 CHADMN CC1(C)C[C@H](CN2Cc3ccc(Cl)cc3C2)CCO1 ZINC001207360110 1133794773 /nfs/dbraw/zinc/79/47/73/1133794773.db2.gz CJOGDFCBPWSADB-GFCCVEGCSA-N 0 1 279.811 3.861 20 0 CHADMN Fc1ccc2c(c1)CCN(CCCc1ccccc1F)C2 ZINC001207496271 1133809085 /nfs/dbraw/zinc/80/90/85/1133809085.db2.gz JEOJMFZXOKYXRF-UHFFFAOYSA-N 0 1 287.353 3.956 20 0 CHADMN Fc1ccccc1CCN1CCC[C@H]1c1nccs1 ZINC001207503749 1133811616 /nfs/dbraw/zinc/81/16/16/1133811616.db2.gz GWCLYYAZSRYQLO-AWEZNQCLSA-N 0 1 276.380 3.662 20 0 CHADMN COc1ccc2c(c1)CN(CCCc1cccc(OC)c1)C2 ZINC001207568348 1133820092 /nfs/dbraw/zinc/82/00/92/1133820092.db2.gz CZRJDHITLFWVDT-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN COCc1noc2c1CN(CCCC1CCCCC1)CC2 ZINC001207607148 1133828142 /nfs/dbraw/zinc/82/81/42/1133828142.db2.gz IKLKIFQKTYYVNP-UHFFFAOYSA-N 0 1 292.423 3.540 20 0 CHADMN c1cnc([C@H]2CCCN2CCCC2CCCCC2)nc1 ZINC001207608095 1133830567 /nfs/dbraw/zinc/83/05/67/1133830567.db2.gz FEUYXZPPTXJVRS-MRXNPFEDSA-N 0 1 273.424 3.974 20 0 CHADMN CC1(C)CCCC[C@@H]1NCC(F)(F)C1(O)CCCCC1 ZINC001207768589 1133847086 /nfs/dbraw/zinc/84/70/86/1133847086.db2.gz JXKQSAHAJFYZLV-ZDUSSCGKSA-N 0 1 289.410 3.875 20 0 CHADMN CC(C)c1ccc(C[C@H](C)CN2CCOCC23CC3)cc1 ZINC001207937303 1133865522 /nfs/dbraw/zinc/86/55/22/1133865522.db2.gz PZDMTIPVJMLFHP-INIZCTEOSA-N 0 1 287.447 3.853 20 0 CHADMN Fc1ccc(F)c([C@H]2CCCN2C[C@@H]2CCCCO2)c1 ZINC001207957750 1133871099 /nfs/dbraw/zinc/87/10/99/1133871099.db2.gz YVXOUAYFMUMQBA-XJKSGUPXSA-N 0 1 281.346 3.671 20 0 CHADMN COc1cccc2c1CN(CCCC1CCCC1)C2 ZINC001208095001 1133877851 /nfs/dbraw/zinc/87/78/51/1133877851.db2.gz SEAYQRQMAPKUJG-UHFFFAOYSA-N 0 1 259.393 3.981 20 0 CHADMN Cc1ccc([C@@H](C)CCN2CCc3cccnc3C2)o1 ZINC001208171033 1133897286 /nfs/dbraw/zinc/89/72/86/1133897286.db2.gz YIHQDRWHSLRTRA-ZDUSSCGKSA-N 0 1 270.376 3.535 20 0 CHADMN COC(=O)c1cccc2c1CN(C[C@H]1CCC(C)=C[C@@H]1C)C2 ZINC001208182264 1133901103 /nfs/dbraw/zinc/90/11/03/1133901103.db2.gz SEVXTWZPYIAMLT-LSDHHAIUSA-N 0 1 299.414 3.781 20 0 CHADMN Cc1ccc(C[N@@H+](C)C[C@H]2COC3(CCCCC3)O2)cc1 ZINC001208638797 1133921109 /nfs/dbraw/zinc/92/11/09/1133921109.db2.gz JHWNDKMXLMDJTG-KRWDZBQOSA-N 0 1 289.419 3.503 20 0 CHADMN CC(C)(CCN1CCOCC12CCC2)c1ccccc1 ZINC001208666476 1133924243 /nfs/dbraw/zinc/92/42/43/1133924243.db2.gz LKKYHZJKPCWCQU-UHFFFAOYSA-N 0 1 273.420 3.609 20 0 CHADMN C[C@@H](CN1CCC(=O)[C@@H](C)C1)c1cccc2ccccc21 ZINC001208707301 1133933410 /nfs/dbraw/zinc/93/34/10/1133933410.db2.gz RMPCMCJSHRFVNC-GJZGRUSLSA-N 0 1 281.399 3.854 20 0 CHADMN COC(=O)[C@@H]1CCCN1C[C@@H](C)c1cccc2ccccc21 ZINC001208706154 1133933628 /nfs/dbraw/zinc/93/36/28/1133933628.db2.gz MNRIOGBYVZZTHN-KDOFPFPSSA-N 0 1 297.398 3.581 20 0 CHADMN C[C@@H](CN(C1CC1)C1COC1)c1cccc2ccccc21 ZINC001208709440 1133934613 /nfs/dbraw/zinc/93/46/13/1133934613.db2.gz LVBYMJSAAOQRRX-AWEZNQCLSA-N 0 1 281.399 3.807 20 0 CHADMN CC/C=C\CCN(Cc1cccnc1)Cc1cccnc1 ZINC001208729084 1133936257 /nfs/dbraw/zinc/93/62/57/1133936257.db2.gz JQJKUPNRFONQKD-ARJAWSKDSA-N 0 1 281.403 3.835 20 0 CHADMN O=C1CCN(CCCc2ccc(F)cc2)[C@H]2CCCC[C@H]12 ZINC001208767956 1133940974 /nfs/dbraw/zinc/94/09/74/1133940974.db2.gz ORWJUXGXLSXKQH-IRXDYDNUSA-N 0 1 289.394 3.592 20 0 CHADMN COc1ccc2c(c1)CN(CCCc1ccc(F)cc1)C2 ZINC001208768603 1133941143 /nfs/dbraw/zinc/94/11/43/1133941143.db2.gz CMWOAUDBXDHPIP-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN Cc1nc2c(o1)CCN(CC1(c3ccccc3)CCCC1)C2 ZINC001208779368 1133944183 /nfs/dbraw/zinc/94/41/83/1133944183.db2.gz HUTSDOHUAWEZCF-UHFFFAOYSA-N 0 1 296.414 3.853 20 0 CHADMN CC(C)Oc1ncccc1CCN1CCCC[C@@](C)(F)C1 ZINC001208788569 1133946778 /nfs/dbraw/zinc/94/67/78/1133946778.db2.gz CYLOWSXORJAKHP-QGZVFWFLSA-N 0 1 294.414 3.625 20 0 CHADMN FC(F)(F)c1ccccc1CCCN1C[C@H]2CC[C@@H]1CO2 ZINC001208834155 1133947826 /nfs/dbraw/zinc/94/78/26/1133947826.db2.gz DDCPTGAAAOYILV-ZIAGYGMSSA-N 0 1 299.336 3.501 20 0 CHADMN F[C@H]1CCN(CCCc2ccccc2C(F)(F)F)C1 ZINC001208828368 1133948210 /nfs/dbraw/zinc/94/82/10/1133948210.db2.gz LGTDTKGJMVLFSM-LBPRGKRZSA-N 0 1 275.289 3.682 20 0 CHADMN C[C@H]1COCCN(CCc2ccc(Cl)cc2Cl)C1 ZINC001209079197 1133972514 /nfs/dbraw/zinc/97/25/14/1133972514.db2.gz QWUNOKWGLPLWDE-LLVKDONJSA-N 0 1 288.218 3.504 20 0 CHADMN Fc1cc(F)cc(CCN2CCC[C@@H]2c2cccnc2)c1 ZINC001209127548 1133979429 /nfs/dbraw/zinc/97/94/29/1133979429.db2.gz FCNMRSXQUFBNRM-QGZVFWFLSA-N 0 1 288.341 3.739 20 0 CHADMN Fc1cc(F)cc(CC[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC001209131990 1133980275 /nfs/dbraw/zinc/98/02/75/1133980275.db2.gz HBSPWPGGSHNCQE-QGZVFWFLSA-N 0 1 288.341 3.739 20 0 CHADMN Fc1cc(F)cc(CCN2CCC[C@@H]2c2ccccn2)c1 ZINC001209131990 1133980280 /nfs/dbraw/zinc/98/02/80/1133980280.db2.gz HBSPWPGGSHNCQE-QGZVFWFLSA-N 0 1 288.341 3.739 20 0 CHADMN CC/C=C\CCCCCCN1CCC(=O)C[C@H]1C ZINC001209286840 1134001388 /nfs/dbraw/zinc/00/13/88/1134001388.db2.gz IKBNTMGWTRGVCV-FOSCPCJNSA-N 0 1 251.414 3.957 20 0 CHADMN Fc1ccc2c(c1)CCN(Cc1ccc3cc[nH]c3c1)C2 ZINC001209515676 1134031713 /nfs/dbraw/zinc/03/17/13/1134031713.db2.gz FDMVNPUQSSAZCB-UHFFFAOYSA-N 0 1 280.346 3.865 20 0 CHADMN Cc1ccccc1CN(C)Cc1c2ccccc2nn1C ZINC001209537726 1134033538 /nfs/dbraw/zinc/03/35/38/1134033538.db2.gz WKFXGXKBPKBOHR-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN CN(Cc1ccc2cc[nH]c2c1)Cc1cccc2c1OCO2 ZINC001209517868 1134035174 /nfs/dbraw/zinc/03/51/74/1134035174.db2.gz HLFYXALZVHMWHZ-UHFFFAOYSA-N 0 1 294.354 3.529 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(OC(F)(F)F)c2)[nH]1 ZINC001209576916 1134038366 /nfs/dbraw/zinc/03/83/66/1134038366.db2.gz IDALNTWHUMKKSR-UHFFFAOYSA-N 0 1 298.308 3.854 20 0 CHADMN Clc1ccc2[nH]nc(CN3CCC[C@H]4CCC[C@@H]43)c2c1 ZINC001209756167 1134060352 /nfs/dbraw/zinc/06/03/52/1134060352.db2.gz VHPWTZKMMLZPQO-BZNIZROVSA-N 0 1 289.810 3.981 20 0 CHADMN Clc1ccc2n[nH]c(CN3CCC[C@H]4CCC[C@@H]43)c2c1 ZINC001209756167 1134060360 /nfs/dbraw/zinc/06/03/60/1134060360.db2.gz VHPWTZKMMLZPQO-BZNIZROVSA-N 0 1 289.810 3.981 20 0 CHADMN COc1ccc(-c2cc(Nc3ncccc3F)on2)cc1 ZINC001209803674 1134068347 /nfs/dbraw/zinc/06/83/47/1134068347.db2.gz DGIRXIIIQGZYJC-UHFFFAOYSA-N 0 1 285.278 3.628 20 0 CHADMN Cc1cc(C)c(-n2c(N)nc3ccccc32)cc1C ZINC001209830875 1134072952 /nfs/dbraw/zinc/07/29/52/1134072952.db2.gz DKSZOLPRBVUANM-UHFFFAOYSA-N 0 1 251.333 3.533 20 0 CHADMN Cc1cnc(Cl)c(Nc2ccc3nc[nH]c3c2)c1 ZINC001209842465 1134077885 /nfs/dbraw/zinc/07/78/85/1134077885.db2.gz KRNJQNMASVFBHZ-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1nc2ccc(Nc3ccc4nc[nH]c4c3)cc2o1 ZINC001209846687 1134081053 /nfs/dbraw/zinc/08/10/53/1134081053.db2.gz ITJXTKFLEIEVAG-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Clc1cccc2nc(Nc3ccc4nc[nH]c4c3)cn21 ZINC001209847204 1134081268 /nfs/dbraw/zinc/08/12/68/1134081268.db2.gz BWQPMHAKKJDDBM-UHFFFAOYSA-N 0 1 283.722 3.608 20 0 CHADMN FC(F)Oc1cccc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209847111 1134081992 /nfs/dbraw/zinc/08/19/92/1134081992.db2.gz OPCHEIFCRPZTCK-UHFFFAOYSA-N 0 1 275.258 3.908 20 0 CHADMN c1nc2ccc(Nc3ccc4cnccc4c3)cc2[nH]1 ZINC001209848159 1134082215 /nfs/dbraw/zinc/08/22/15/1134082215.db2.gz JBQZQPDSTIXVFL-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN CCc1ccc(Nc2ccc3nc[nH]c3c2)c(O)c1 ZINC001209848609 1134083468 /nfs/dbraw/zinc/08/34/68/1134083468.db2.gz MTHMSJOTTRUUTM-UHFFFAOYSA-N 0 1 253.305 3.575 20 0 CHADMN CC(C)OC(=O)c1cccc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209848917 1134084612 /nfs/dbraw/zinc/08/46/12/1134084612.db2.gz PSMDZPQLJDMDEO-UHFFFAOYSA-N 0 1 295.342 3.872 20 0 CHADMN c1nc2ccc(Nc3cccnc3C3CCC3)cc2[nH]1 ZINC001209848650 1134085107 /nfs/dbraw/zinc/08/51/07/1134085107.db2.gz PQGVTPNRSQHHTE-UHFFFAOYSA-N 0 1 264.332 3.969 20 0 CHADMN FC(F)c1ccc(Nc2ccc3nc[nH]c3c2)nc1 ZINC001209848372 1134085596 /nfs/dbraw/zinc/08/55/96/1134085596.db2.gz KSDKQOCSYYYKEO-UHFFFAOYSA-N 0 1 260.247 3.639 20 0 CHADMN Cc1cc(Nc2ccc3nc[nH]c3c2)c(C)cc1N ZINC001209848613 1134085615 /nfs/dbraw/zinc/08/56/15/1134085615.db2.gz NACHWBMVTLFKDL-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN CO[C@@H]1CCOc2c(Nc3ccc4nc[nH]c4c3)cccc21 ZINC001209852149 1134085894 /nfs/dbraw/zinc/08/58/94/1134085894.db2.gz VITBKNSNQZFCSC-MRXNPFEDSA-N 0 1 295.342 3.777 20 0 CHADMN CCN(C)c1ccc(Nc2ccc3nc[nH]c3c2)cc1 ZINC001209851716 1134086144 /nfs/dbraw/zinc/08/61/44/1134086144.db2.gz XAZUJWQBOCIWNN-UHFFFAOYSA-N 0 1 266.348 3.763 20 0 CHADMN CO[C@H]1CCOc2c(Nc3ccc4nc[nH]c4c3)cccc21 ZINC001209852148 1134087110 /nfs/dbraw/zinc/08/71/10/1134087110.db2.gz VITBKNSNQZFCSC-INIZCTEOSA-N 0 1 295.342 3.777 20 0 CHADMN Cc1cc(N)ncc1Nc1ncc(-c2ccccc2)s1 ZINC001209961803 1134110371 /nfs/dbraw/zinc/11/03/71/1134110371.db2.gz NGTYSZHWMFTNHP-UHFFFAOYSA-N 0 1 282.372 3.839 20 0 CHADMN Cc1cccc2sc(Nc3cnc(N)cc3C)nc21 ZINC001209962498 1134110389 /nfs/dbraw/zinc/11/03/89/1134110389.db2.gz WBAGRNNRLZEBGS-UHFFFAOYSA-N 0 1 270.361 3.634 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(F)c(Cl)nc1Cl ZINC001209964792 1134111256 /nfs/dbraw/zinc/11/12/56/1134111256.db2.gz DUFVBNWXATXJMB-UHFFFAOYSA-N 0 1 287.125 3.557 20 0 CHADMN CCN(CC)c1ccc(Nc2cnc(N)cc2C)cc1 ZINC001209966085 1134111339 /nfs/dbraw/zinc/11/13/39/1134111339.db2.gz SATRSXLXHLPDQE-UHFFFAOYSA-N 0 1 270.380 3.562 20 0 CHADMN Cc1cc(Nc2cnc(N)cc2C)n(-c2cccc(C)c2)n1 ZINC001209964901 1134111503 /nfs/dbraw/zinc/11/15/03/1134111503.db2.gz GTJBBXCOHPJBIA-UHFFFAOYSA-N 0 1 293.374 3.518 20 0 CHADMN Cc1cc(N)ncc1Nc1ccnn1-c1cccc(Cl)c1 ZINC001209967146 1134111548 /nfs/dbraw/zinc/11/15/48/1134111548.db2.gz NQLWUNGZZVRKDR-UHFFFAOYSA-N 0 1 299.765 3.555 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(Cl)c(N)cc1Cl ZINC001209968498 1134111656 /nfs/dbraw/zinc/11/16/56/1134111656.db2.gz BUPUGEBYBNBPCS-UHFFFAOYSA-N 0 1 283.162 3.605 20 0 CHADMN Cc1cc(N)ncc1Nc1ccccc1N1CCCCC1 ZINC001209966472 1134111791 /nfs/dbraw/zinc/11/17/91/1134111791.db2.gz BELVYHYBJVLJPC-UHFFFAOYSA-N 0 1 282.391 3.706 20 0 CHADMN CCc1cc(Cl)ccc1Nc1cnc(N)cc1C ZINC001209970227 1134112683 /nfs/dbraw/zinc/11/26/83/1134112683.db2.gz YAGZSEJHGILKKU-UHFFFAOYSA-N 0 1 261.756 3.932 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc2c(ccnc2Cl)c1 ZINC001209970954 1134112715 /nfs/dbraw/zinc/11/27/15/1134112715.db2.gz LONBDJSTBDIGLQ-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN FC1(F)CCC(=Nc2ncc3ccccc3n2)CC1 ZINC001210027844 1134126745 /nfs/dbraw/zinc/12/67/45/1134126745.db2.gz NHNKEFUZVPQLMH-UHFFFAOYSA-N 0 1 261.275 3.745 20 0 CHADMN Cc1nc(Nc2cc3cn[nH]c3cc2C)sc1C ZINC001210100388 1134145635 /nfs/dbraw/zinc/14/56/35/1134145635.db2.gz SILQXKMMZIVHTL-UHFFFAOYSA-N 0 1 258.350 3.688 20 0 CHADMN Cc1cnc(Nc2cc3cn[nH]c3cc2C)c(Cl)c1 ZINC001210101663 1134146647 /nfs/dbraw/zinc/14/66/47/1134146647.db2.gz JBXGTTGHSVKWAO-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccccc1N(C)C ZINC001210101846 1134146685 /nfs/dbraw/zinc/14/66/85/1134146685.db2.gz GZEANXOAKBDWJW-UHFFFAOYSA-N 0 1 266.348 3.681 20 0 CHADMN COc1cc(Cl)nc(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210103386 1134147790 /nfs/dbraw/zinc/14/77/90/1134147790.db2.gz ZNFJKDJRBNXQLH-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN COC(=O)c1ccc(F)c(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210105293 1134147817 /nfs/dbraw/zinc/14/78/17/1134147817.db2.gz VEGGZPZACLCEKJ-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(-c2nnco2)cc1 ZINC001210103524 1134148139 /nfs/dbraw/zinc/14/81/39/1134148139.db2.gz WAMKTCYSTJHMOQ-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2[nH]c(=O)sc2c1 ZINC001210103716 1134148359 /nfs/dbraw/zinc/14/83/59/1134148359.db2.gz ZYYXXINJEHUGHG-UHFFFAOYSA-N 0 1 296.355 3.930 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1c(N)cc(F)cc1Cl ZINC001210106596 1134149330 /nfs/dbraw/zinc/14/93/30/1134149330.db2.gz UKHVUOBBZWICMB-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2c(c1)[C@H](O)CC2 ZINC001210106909 1134149389 /nfs/dbraw/zinc/14/93/89/1134149389.db2.gz VSXPVSSRXIGEAZ-QGZVFWFLSA-N 0 1 279.343 3.595 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(C(F)(F)F)c(C)c1 ZINC001210304900 1134189820 /nfs/dbraw/zinc/18/98/20/1134189820.db2.gz YDTCZIVRBBAXLT-UHFFFAOYSA-N 0 1 269.270 3.799 20 0 CHADMN Cc1cc(C)nc(Nc2ccc(-c3nccn3C)cc2)c1 ZINC001210429119 1134211929 /nfs/dbraw/zinc/21/19/29/1134211929.db2.gz DSYDBWADCIUBLU-UHFFFAOYSA-N 0 1 278.359 3.843 20 0 CHADMN c1cnc(NC2=CCCCCCC2)c(N2CCOCC2)c1 ZINC001210448900 1134216239 /nfs/dbraw/zinc/21/62/39/1134216239.db2.gz XLIUMRQGSFDTQT-UHFFFAOYSA-N 0 1 287.407 3.568 20 0 CHADMN CC(C)(C)c1nc(Nc2cccc(F)c2Cl)no1 ZINC001210540180 1134242483 /nfs/dbraw/zinc/24/24/83/1134242483.db2.gz RMXMOTIXDHNKLR-UHFFFAOYSA-N 0 1 269.707 3.903 20 0 CHADMN Cc1cc(Nc2ccc([C@H](C)O)cc2)c2ccccc2n1 ZINC001210640272 1134266356 /nfs/dbraw/zinc/26/63/56/1134266356.db2.gz JERHNHRGRIMZFB-ZDUSSCGKSA-N 0 1 278.355 3.762 20 0 CHADMN [O-]c1cc(F)cc(F)c1N=C1CCC([NH+]2CCCC2)CC1 ZINC001210714429 1134280401 /nfs/dbraw/zinc/28/04/01/1134280401.db2.gz OKVQXLONGQCRDC-ZDUSSCGKSA-N 0 1 294.345 3.615 20 0 CHADMN [O-]c1cc(F)cc(F)c1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210714429 1134280403 /nfs/dbraw/zinc/28/04/03/1134280403.db2.gz OKVQXLONGQCRDC-ZDUSSCGKSA-N 0 1 294.345 3.615 20 0 CHADMN CCC(C)=Nc1ccccc1S(=O)(=O)c1ccccc1 ZINC001210794230 1134296610 /nfs/dbraw/zinc/29/66/10/1134296610.db2.gz FNGJTVWVQZKGOA-QLKAYGNNSA-N 0 1 287.384 3.855 20 0 CHADMN Cc1cnc(Nc2cc(Cl)c(O)c(Cl)c2)o1 ZINC001210923437 1134327761 /nfs/dbraw/zinc/32/77/61/1134327761.db2.gz TXMBLOHFCKURTF-UHFFFAOYSA-N 0 1 259.092 3.739 20 0 CHADMN Cn1c[nH+]c2cccc(Nc3cccc([S-])c3)c21 ZINC001210948538 1134337259 /nfs/dbraw/zinc/33/72/59/1134337259.db2.gz VVCSRUIHTBCNIB-UHFFFAOYSA-N 0 1 255.346 3.606 20 0 CHADMN C=C(Nc1cnc(C)c(C(=O)OCC)c1)c1ccccc1 ZINC001210982750 1134341303 /nfs/dbraw/zinc/34/13/03/1134341303.db2.gz GBXGBEOZWLYQEW-UHFFFAOYSA-N 0 1 282.343 3.650 20 0 CHADMN C=C(Nc1ccc(F)c2c1OCCC2=O)c1ccccc1 ZINC001210986666 1134342410 /nfs/dbraw/zinc/34/24/10/1134342410.db2.gz ANONTXDEMMFQGH-UHFFFAOYSA-N 0 1 283.302 3.874 20 0 CHADMN C=C(Nc1ccccc1C1=NCCO1)c1ccccc1 ZINC001210991650 1134345815 /nfs/dbraw/zinc/34/58/15/1134345815.db2.gz ZTLBKVJWHXKLFR-UHFFFAOYSA-N 0 1 264.328 3.546 20 0 CHADMN CSc1ccccc1Nc1ccnn1-c1ccncc1 ZINC001211062987 1134360211 /nfs/dbraw/zinc/36/02/11/1134360211.db2.gz HGBJFJKBIAGGDF-UHFFFAOYSA-N 0 1 282.372 3.733 20 0 CHADMN Cc1cc(C)c(Nc2cncn2C)c(Br)c1 ZINC001211251210 1134399933 /nfs/dbraw/zinc/39/99/33/1134399933.db2.gz VTZGZSKSAAOIKP-UHFFFAOYSA-N 0 1 280.169 3.543 20 0 CHADMN COc1cnccc1Nc1ccc(C(F)(F)F)c(C)c1 ZINC001211265646 1134400127 /nfs/dbraw/zinc/40/01/27/1134400127.db2.gz XNWRPXMSSLIRRU-UHFFFAOYSA-N 0 1 282.265 3.583 20 0 CHADMN COc1cnccc1Nc1cc(C(F)(F)F)ccc1C ZINC001211263045 1134400152 /nfs/dbraw/zinc/40/01/52/1134400152.db2.gz RBXRXHMIVGEEDR-UHFFFAOYSA-N 0 1 282.265 3.583 20 0 CHADMN Cc1ccc(OC(C)C)c(Nc2cc(=O)[nH]c(Cl)n2)c1 ZINC001211277093 1134401295 /nfs/dbraw/zinc/40/12/95/1134401295.db2.gz BEKDZNRWGLNVPY-UHFFFAOYSA-N 0 1 293.754 3.675 20 0 CHADMN Oc1cc(F)c(-c2ccc(C(F)F)cn2)cc1F ZINC001211352225 1134411791 /nfs/dbraw/zinc/41/17/91/1134411791.db2.gz JDKAZHALAFHFGY-UHFFFAOYSA-N 0 1 257.186 3.670 20 0 CHADMN Cc1nc2cc(N[C@@H]3CCCc4cccnc43)ccc2[nH]1 ZINC000091660983 1134415922 /nfs/dbraw/zinc/41/59/22/1134415922.db2.gz HSSZTTPWOBUDHL-OAHLLOKOSA-N 0 1 278.359 3.756 20 0 CHADMN Cc1nc2cc(Nc3ccc4ncn(C)c4c3)ccc2[nH]1 ZINC001213074505 1134420562 /nfs/dbraw/zinc/42/05/62/1134420562.db2.gz YCHAXJLAVAGOQD-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1nc2cc(Nc3ccccc3P(C)(C)=O)ccc2[nH]1 ZINC001213075130 1134420752 /nfs/dbraw/zinc/42/07/52/1134420752.db2.gz FOONFXJXLSXNQG-UHFFFAOYSA-N 0 1 299.314 3.863 20 0 CHADMN Cc1nc2cc(Nc3cc(C)cc(C)c3N)ccc2[nH]1 ZINC001213074526 1134420935 /nfs/dbraw/zinc/42/09/35/1134420935.db2.gz ZDMIDVLWSKBKDY-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN CCOc1ccc(N)cc1Nc1ccc2[nH]c(C)nc2c1 ZINC001213075098 1134421156 /nfs/dbraw/zinc/42/11/56/1134421156.db2.gz CZNQYDAXOOXIDU-UHFFFAOYSA-N 0 1 282.347 3.596 20 0 CHADMN Cc1nc2cc(Nc3ccc([C@@H](C)O)cc3)ccc2[nH]1 ZINC001213074231 1134422013 /nfs/dbraw/zinc/42/20/13/1134422013.db2.gz KKTYELVPJHYOPX-SNVBAGLBSA-N 0 1 267.332 3.668 20 0 CHADMN Cc1nc2cc(Nc3cc(O)cc(Cl)c3)ccc2[nH]1 ZINC001213075579 1134423335 /nfs/dbraw/zinc/42/33/35/1134423335.db2.gz WCSPZFRMTWIEKN-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN COC(=O)c1ccc(F)c(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213075276 1134423495 /nfs/dbraw/zinc/42/34/95/1134423495.db2.gz MPXVLXNQRLBFFR-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN COC(=O)c1ccc(F)c(Nc2ccc3nc(C)[nH]c3c2)c1 ZINC001213075276 1134423498 /nfs/dbraw/zinc/42/34/98/1134423498.db2.gz MPXVLXNQRLBFFR-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN COC(=O)c1cc(C)cnc1Nc1ccnc(C(C)(C)C)c1 ZINC001213162391 1134432710 /nfs/dbraw/zinc/43/27/10/1134432710.db2.gz AXQLDDXGBPORPL-UHFFFAOYSA-N 0 1 299.374 3.613 20 0 CHADMN Clc1cc(-c2nc(-c3ccc4occc4c3)no2)n[nH]1 ZINC001213500988 1134456185 /nfs/dbraw/zinc/45/61/85/1134456185.db2.gz VOZANUCIJITLSK-UHFFFAOYSA-N 0 1 286.678 3.526 20 0 CHADMN COc1cc(Nc2cccc3cc[nH+]cc32)cc(C(=O)[O-])c1 ZINC001213592582 1134466939 /nfs/dbraw/zinc/46/69/39/1134466939.db2.gz KUSRKBHHWCYZPL-UHFFFAOYSA-N 0 1 294.310 3.685 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cnccc1C1CC1 ZINC001213874903 1134494387 /nfs/dbraw/zinc/49/43/87/1134494387.db2.gz MKURBUSCRVEDKC-UHFFFAOYSA-N 0 1 282.322 3.798 20 0 CHADMN CN(Cc1cc[nH]c1)Cc1ccc(Cl)c(Cl)c1 ZINC000179646064 1134553080 /nfs/dbraw/zinc/55/30/80/1134553080.db2.gz STKZOQMZTCOSFU-UHFFFAOYSA-N 0 1 269.175 3.954 20 0 CHADMN CC(=O)c1cc(Nc2ccc3c(c2)CN(C)CC3)cs1 ZINC001214789612 1134572597 /nfs/dbraw/zinc/57/25/97/1134572597.db2.gz WMMIOWHCNXIICT-UHFFFAOYSA-N 0 1 286.400 3.682 20 0 CHADMN COc1nccc(C)c1Nc1ccc(Cl)c(O)c1F ZINC001214790977 1134573229 /nfs/dbraw/zinc/57/32/29/1134573229.db2.gz DQZGKIPTUMJQSI-UHFFFAOYSA-N 0 1 282.702 3.640 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccnn2CC2CC2)c1F ZINC001214796273 1134573767 /nfs/dbraw/zinc/57/37/67/1134573767.db2.gz MQVZAAGZOIVLDF-UHFFFAOYSA-N 0 1 281.718 3.535 20 0 CHADMN Cc1cc(Nc2ccc(Cl)c(O)c2F)cnc1F ZINC001214793646 1134573941 /nfs/dbraw/zinc/57/39/41/1134573941.db2.gz IEGXQPXWGSOUNV-UHFFFAOYSA-N 0 1 270.666 3.771 20 0 CHADMN Cc1cn2cccc(Nc3ccc(Cl)c(O)c3F)c2n1 ZINC001214794077 1134574195 /nfs/dbraw/zinc/57/41/95/1134574195.db2.gz XXHOZXPITZNHEK-UHFFFAOYSA-N 0 1 291.713 3.884 20 0 CHADMN Nc1ccc(F)c(F)c1Nc1ccc(Cl)c(O)c1F ZINC001214799539 1134575494 /nfs/dbraw/zinc/57/54/94/1134575494.db2.gz XNXDDLAVYOUEKG-UHFFFAOYSA-N 0 1 288.656 3.789 20 0 CHADMN Oc1ccc(Nc2ccc(Cl)c(O)c2F)c(F)c1 ZINC001214798976 1134575581 /nfs/dbraw/zinc/57/55/81/1134575581.db2.gz FCMMGGXQHRJPTI-UHFFFAOYSA-N 0 1 271.650 3.773 20 0 CHADMN OCc1cccc(Nc2ccc(Cl)c(O)c2F)c1F ZINC001214801480 1134575725 /nfs/dbraw/zinc/57/57/25/1134575725.db2.gz MCIUJOUTOYSGGH-UHFFFAOYSA-N 0 1 285.677 3.560 20 0 CHADMN COc1cc(Nc2ccc(Cl)c(O)c2F)cc(OC)c1 ZINC001214799581 1134575796 /nfs/dbraw/zinc/57/57/96/1134575796.db2.gz ZCKYYEGDKDUSBW-UHFFFAOYSA-N 0 1 297.713 3.946 20 0 CHADMN COc1cc(O)ccc1Nc1ccc(Cl)c(O)c1F ZINC001214804715 1134576311 /nfs/dbraw/zinc/57/63/11/1134576311.db2.gz XXMSUEJLMLTVSX-UHFFFAOYSA-N 0 1 283.686 3.643 20 0 CHADMN CN1CCc2ccc(Nc3ccc(Cl)c(O)c3F)cc21 ZINC001214809417 1134576753 /nfs/dbraw/zinc/57/67/53/1134576753.db2.gz RYYJPNHUMJRHRJ-UHFFFAOYSA-N 0 1 292.741 3.921 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1ccc(C)cn1)CCC2 ZINC000400891437 1134600766 /nfs/dbraw/zinc/60/07/66/1134600766.db2.gz HSUGGVKTSCOHON-GOSISDBHSA-N 0 1 282.387 3.566 20 0 CHADMN Cc1cc(Nc2ccc(CO)c(C)c2C)c2ccccc2n1 ZINC001215233952 1134608082 /nfs/dbraw/zinc/60/80/82/1134608082.db2.gz UQFRLSYIEWQABX-UHFFFAOYSA-N 0 1 292.382 3.818 20 0 CHADMN CCOc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1Cl ZINC000401530922 1134615969 /nfs/dbraw/zinc/61/59/69/1134615969.db2.gz AUKLVEWOAAUPKM-ZDUSSCGKSA-N 0 1 291.782 3.951 20 0 CHADMN Fc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1Cl ZINC000401540638 1134616350 /nfs/dbraw/zinc/61/63/50/1134616350.db2.gz HSZULZUCHJAOSS-GFCCVEGCSA-N 0 1 265.719 3.692 20 0 CHADMN COc1ccc(Cl)cc1N[C@@H]1CCCc2[nH]ncc21 ZINC000401580549 1134616381 /nfs/dbraw/zinc/61/63/81/1134616381.db2.gz DAJPLBRPIONWJO-LLVKDONJSA-N 0 1 277.755 3.561 20 0 CHADMN FC(F)Oc1cccc(N[C@@H]2CCCc3[nH]ncc32)c1 ZINC000401540542 1134616860 /nfs/dbraw/zinc/61/68/60/1134616860.db2.gz HOJXWNMUWSQGRZ-GFCCVEGCSA-N 0 1 279.290 3.501 20 0 CHADMN FC(F)Oc1cccc(N[C@H]2CCCc3[nH]ncc32)c1 ZINC000401540545 1134616998 /nfs/dbraw/zinc/61/69/98/1134616998.db2.gz HOJXWNMUWSQGRZ-LBPRGKRZSA-N 0 1 279.290 3.501 20 0 CHADMN Cc1c(Cl)cccc1N[C@H]1CCCc2[nH]ncc21 ZINC000401609287 1134617434 /nfs/dbraw/zinc/61/74/34/1134617434.db2.gz LNQVLFOPWIMTBX-ZDUSSCGKSA-N 0 1 261.756 3.861 20 0 CHADMN CCCOc1cc(C)ccc1N[C@@H]1CCCc2[nH]ncc21 ZINC000401621327 1134617495 /nfs/dbraw/zinc/61/74/95/1134617495.db2.gz WDXMDVHMQNILED-CQSZACIVSA-N 0 1 285.391 3.996 20 0 CHADMN FC(F)(F)Oc1cccc(N[C@@H]2CCCc3[nH]ncc32)c1 ZINC000401679951 1134617633 /nfs/dbraw/zinc/61/76/33/1134617633.db2.gz DEGBMVKVNGQPIO-GFCCVEGCSA-N 0 1 297.280 3.798 20 0 CHADMN COc1cc(Nc2cc3[nH]ncc3c(F)c2)ccc1F ZINC001215554745 1134640348 /nfs/dbraw/zinc/64/03/48/1134640348.db2.gz GEQOWXQRFCGSLN-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN Cc1cc(Nc2cc3[nH]ncc3c(F)c2)ccc1F ZINC001215554799 1134640674 /nfs/dbraw/zinc/64/06/74/1134640674.db2.gz ICZMLHQNZJIUCJ-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN CC(=O)c1cc(Nc2cc3[nH]ncc3c(F)c2)ccc1F ZINC001215555893 1134640888 /nfs/dbraw/zinc/64/08/88/1134640888.db2.gz QECQJIVRUJEVAY-UHFFFAOYSA-N 0 1 287.269 3.787 20 0 CHADMN Fc1cc(Nc2cccc3cccnc32)cc2[nH]ncc21 ZINC001215554844 1134641158 /nfs/dbraw/zinc/64/11/58/1134641158.db2.gz JWQYXKUDOFQCOU-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN CCOc1cc(F)ccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555302 1134641239 /nfs/dbraw/zinc/64/12/39/1134641239.db2.gz UIZMENVIRRWAGT-UHFFFAOYSA-N 0 1 289.285 3.983 20 0 CHADMN O=C1CCc2ccc(Nc3cc4[nH]ncc4c(F)c3)cc21 ZINC001215555298 1134641288 /nfs/dbraw/zinc/64/12/88/1134641288.db2.gz UDYOVHZUPSEKSK-UHFFFAOYSA-N 0 1 281.290 3.575 20 0 CHADMN CC1(C)Oc2ccc(Nc3cc4[nH]ncc4c(F)c3)cc2O1 ZINC001215554632 1134641324 /nfs/dbraw/zinc/64/13/24/1134641324.db2.gz BBVYJIUOIXVMND-UHFFFAOYSA-N 0 1 299.305 3.953 20 0 CHADMN O[C@H]1CCCc2ccc(Nc3cc4[nH]ncc4c(F)c3)cc21 ZINC001215558768 1134642167 /nfs/dbraw/zinc/64/21/67/1134642167.db2.gz WFJICYBNPZFOBW-KRWDZBQOSA-N 0 1 297.333 3.815 20 0 CHADMN O=C1CCCc2cc(Nc3cc4[nH]ncc4c(F)c3)ccc21 ZINC001215557871 1134642772 /nfs/dbraw/zinc/64/27/72/1134642772.db2.gz CKUMESABHNIBRY-UHFFFAOYSA-N 0 1 295.317 3.965 20 0 CHADMN OCc1ccc(Cl)c(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215556392 1134642801 /nfs/dbraw/zinc/64/28/01/1134642801.db2.gz CZZXSGRKLSKEEW-UHFFFAOYSA-N 0 1 291.713 3.591 20 0 CHADMN Cc1cc(Nc2cc(F)c(O)cc2F)c2ccccc2n1 ZINC001215569954 1134643681 /nfs/dbraw/zinc/64/36/81/1134643681.db2.gz JOAVTISORVFLID-UHFFFAOYSA-N 0 1 286.281 3.693 20 0 CHADMN CCCOc1ccc2cc(-n3cnc(C)c3N)ccc2c1 ZINC001215679926 1134659108 /nfs/dbraw/zinc/65/91/08/1134659108.db2.gz VDKSDWPDNLRCDR-UHFFFAOYSA-N 0 1 281.359 3.705 20 0 CHADMN Cc1ccc(Nc2ncnc3sccc32)c2cn[nH]c21 ZINC001215754227 1134673473 /nfs/dbraw/zinc/67/34/73/1134673473.db2.gz OTIDEERTVJNRQW-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1ccc(Nc2cncc(Cl)c2)c2cn[nH]c21 ZINC001215755075 1134674514 /nfs/dbraw/zinc/67/45/14/1134674514.db2.gz HSXMIJOAABRNCK-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1ccc(Nc2cnc3cccc(O)c3c2)c2cn[nH]c21 ZINC001215756174 1134674987 /nfs/dbraw/zinc/67/49/87/1134674987.db2.gz LUNFPMJBCZKKMC-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1ccc(Nc2ncccc2Cl)c2cn[nH]c21 ZINC001215755459 1134675119 /nfs/dbraw/zinc/67/51/19/1134675119.db2.gz RDTZUCLUCRMHGJ-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1ccc(Nc2c(C)cccc2N)c2cn[nH]c21 ZINC001215758205 1134675744 /nfs/dbraw/zinc/67/57/44/1134675744.db2.gz KCBUXWFWAPNRKL-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN Cc1ccc(Nc2ccc3c(c2)ncn3C)c2cn[nH]c21 ZINC001215758201 1134675855 /nfs/dbraw/zinc/67/58/55/1134675855.db2.gz JTPKKDHIXVWYRO-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN COc1c(F)ccc(Nc2ccc(C)c3[nH]ncc32)c1F ZINC001215759518 1134677419 /nfs/dbraw/zinc/67/74/19/1134677419.db2.gz NJOVDRULHQVJQE-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1cccc(-c2noc(-c3ccc(O)c(F)c3)n2)c1 ZINC001215791684 1134687406 /nfs/dbraw/zinc/68/74/06/1134687406.db2.gz DYNIWYXUORXNAT-UHFFFAOYSA-N 0 1 270.263 3.557 20 0 CHADMN Oc1ccc(-c2nc(-c3cc(F)ccc3F)no2)cc1F ZINC001215792634 1134688463 /nfs/dbraw/zinc/68/84/63/1134688463.db2.gz ZOSCKJXZQUHLSQ-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN CC(C)c1cc(Nc2ccnn2-c2ccncc2)ccc1O ZINC001215845318 1134701960 /nfs/dbraw/zinc/70/19/60/1134701960.db2.gz ZADAPJDWVGERLK-UHFFFAOYSA-N 0 1 294.358 3.840 20 0 CHADMN Cc1c(F)cccc1-c1noc(-c2cccc(F)c2O)n1 ZINC001215863034 1134706661 /nfs/dbraw/zinc/70/66/61/1134706661.db2.gz NDMNWILCCIUMAY-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Cc1cc(F)cc(-c2noc(-c3cccc(F)c3O)n2)c1 ZINC001215863203 1134707179 /nfs/dbraw/zinc/70/71/79/1134707179.db2.gz VBJOEXHRSLJYQH-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(C)cc1OC(C)C ZINC001215877339 1134712083 /nfs/dbraw/zinc/71/20/83/1134712083.db2.gz DCWFQWXOWWXTHD-UHFFFAOYSA-N 0 1 259.353 3.568 20 0 CHADMN COCc1cc(OC)ccc1Nc1cc(C)cc(C)n1 ZINC001215975425 1134738210 /nfs/dbraw/zinc/73/82/10/1134738210.db2.gz WMYJRJRDBXWKCT-UHFFFAOYSA-N 0 1 272.348 3.597 20 0 CHADMN COc1c(C)cc(C)cc1-n1c(N)nc2c1cccc2C ZINC001215995578 1134744766 /nfs/dbraw/zinc/74/47/66/1134744766.db2.gz NDZYQZHAZCRLBM-UHFFFAOYSA-N 0 1 281.359 3.542 20 0 CHADMN Cc1ccccc1Nc1cccc(CN(C)C)c1F ZINC001216229018 1134812845 /nfs/dbraw/zinc/81/28/45/1134812845.db2.gz YYLPDFCAJVHETO-UHFFFAOYSA-N 0 1 258.340 3.939 20 0 CHADMN Cc1nc(Nc2cccc(CN(C)C)c2F)sc1C ZINC001216226893 1134812938 /nfs/dbraw/zinc/81/29/38/1134812938.db2.gz FZZQDYHRMXHKEJ-UHFFFAOYSA-N 0 1 279.384 3.704 20 0 CHADMN CN(C)Cc1cccc(Nc2cccc(C3CC3)n2)c1F ZINC001216228837 1134813995 /nfs/dbraw/zinc/81/39/95/1134813995.db2.gz RRLBLUKLHDIEHZ-UHFFFAOYSA-N 0 1 285.366 3.903 20 0 CHADMN COc1cccc(F)c1Nc1cccc(CN(C)C)c1F ZINC001216232231 1134814455 /nfs/dbraw/zinc/81/44/55/1134814455.db2.gz ZPULFLCTNRZDRE-UHFFFAOYSA-N 0 1 292.329 3.779 20 0 CHADMN Cc1ccc(N)cc1Nc1cccc(CN(C)C)c1F ZINC001216231675 1134815623 /nfs/dbraw/zinc/81/56/23/1134815623.db2.gz OLCHQNHOBFNOGY-UHFFFAOYSA-N 0 1 273.355 3.522 20 0 CHADMN CN(C)Cc1cccc(Nc2cccc(F)c2F)c1F ZINC001216231012 1134816115 /nfs/dbraw/zinc/81/61/15/1134816115.db2.gz NCTGGQAWKFEAQY-UHFFFAOYSA-N 0 1 280.293 3.909 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc3ncncc3c2)c1F ZINC001216232687 1134817585 /nfs/dbraw/zinc/81/75/85/1134817585.db2.gz MQGQLZYJTMLJGG-UHFFFAOYSA-N 0 1 296.349 3.574 20 0 CHADMN CCc1cccc(O)c1Nc1cccc(CN(C)C)c1F ZINC001216232346 1134817913 /nfs/dbraw/zinc/81/79/13/1134817913.db2.gz SDZAHHUFNBWDMP-UHFFFAOYSA-N 0 1 288.366 3.899 20 0 CHADMN CCCc1cc(Nc2cnc(Br)s2)on1 ZINC001216265832 1134831459 /nfs/dbraw/zinc/83/14/59/1134831459.db2.gz ZXUXOLFCDOPJAK-UHFFFAOYSA-N 0 1 288.170 3.590 20 0 CHADMN Nc1cncn1-c1cc(Cl)c(Cl)cc1C(F)(F)F ZINC001216338991 1134860332 /nfs/dbraw/zinc/86/03/32/1134860332.db2.gz SQRMPJIRMPFNPC-UHFFFAOYSA-N 0 1 296.079 3.780 20 0 CHADMN C[C@H](O)c1ccccc1Nc1cncn1Cc1ccccc1 ZINC001216554867 1134920412 /nfs/dbraw/zinc/92/04/12/1134920412.db2.gz PIPIOGBHEMLISY-AWEZNQCLSA-N 0 1 293.370 3.728 20 0 CHADMN Cc1cc(O)ccc1Nc1cncn1Cc1ccccc1 ZINC001216553486 1134920424 /nfs/dbraw/zinc/92/04/24/1134920424.db2.gz CHUOOQAGZMOKEQ-UHFFFAOYSA-N 0 1 279.343 3.689 20 0 CHADMN Cc1cc(N)c(F)cc1Nc1cncn1Cc1ccccc1 ZINC001216554192 1134920841 /nfs/dbraw/zinc/92/08/41/1134920841.db2.gz CJTGGAPPGPPTRQ-UHFFFAOYSA-N 0 1 296.349 3.705 20 0 CHADMN Cc1ccc2sc(NCc3ccc(C#N)c(F)c3)nc2c1 ZINC000404577122 1134946492 /nfs/dbraw/zinc/94/64/92/1134946492.db2.gz RKHZEKWRQPSYJB-UHFFFAOYSA-N 0 1 297.358 3.650 20 0 CHADMN Oc1c(F)ccc(-c2nc(-c3ccc(F)cc3)no2)c1F ZINC001216985250 1134956328 /nfs/dbraw/zinc/95/63/28/1134956328.db2.gz LMUDBRYGVCAWOT-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN Cc1nc2cc(-c3nc(-c4ccccc4)no3)ccc2[nH]1 ZINC001217244650 1134969314 /nfs/dbraw/zinc/96/93/14/1134969314.db2.gz JXVKMVJNIJUWTA-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN Cc1ccc(F)cc1-c1noc(-c2cc3cccnc3[nH]2)n1 ZINC001217306593 1134971773 /nfs/dbraw/zinc/97/17/73/1134971773.db2.gz YMPXLLDDQGCTNY-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1ccc(-c2noc(-c3ccn4cncc4c3)n2)c(C)c1 ZINC001217330627 1134972192 /nfs/dbraw/zinc/97/21/92/1134972192.db2.gz SSGUNYCJFWNSFA-UHFFFAOYSA-N 0 1 290.326 3.668 20 0 CHADMN Clc1ccc(-c2noc(-c3cccc4cncn43)n2)cc1 ZINC001217589268 1134985260 /nfs/dbraw/zinc/98/52/60/1134985260.db2.gz OMHOKDSXQJDPJM-UHFFFAOYSA-N 0 1 296.717 3.705 20 0 CHADMN C[C@H]1CCN[C@H](c2nnc(-c3ccc4ccccc4c3)o2)C1 ZINC001217702915 1134987388 /nfs/dbraw/zinc/98/73/88/1134987388.db2.gz QAVHANSGJFVDPT-LRDDRELGSA-N 0 1 293.370 3.950 20 0 CHADMN C[C@H]1CCCN[C@H]1c1nnc(-c2ccc3ccccc3c2)o1 ZINC001217702076 1134988491 /nfs/dbraw/zinc/98/84/91/1134988491.db2.gz HRQTYKVEOGWHSX-BLLLJJGKSA-N 0 1 293.370 3.950 20 0 CHADMN CC(C)c1ccc(-c2nnc([C@@H]3C[C@@H](C)CCN3)o2)cc1 ZINC001217703440 1134989418 /nfs/dbraw/zinc/98/94/18/1134989418.db2.gz VCWYRXRIQGXIKF-WFASDCNBSA-N 0 1 285.391 3.921 20 0 CHADMN CC(C)(C)CNCc1nnc(CCC2CCCCC2)o1 ZINC001217729078 1134991696 /nfs/dbraw/zinc/99/16/96/1134991696.db2.gz XTESWAJHAMLFEO-UHFFFAOYSA-N 0 1 279.428 3.718 20 0 CHADMN CCCCNCc1nnc(-c2ccc(C(C)C)cc2)o1 ZINC001217726624 1134992381 /nfs/dbraw/zinc/99/23/81/1134992381.db2.gz GMIMCYFZVVAJDB-UHFFFAOYSA-N 0 1 273.380 3.750 20 0 CHADMN CCc1ccc(-c2nnc([C@@H](NC)C(C)(C)C)o2)cc1 ZINC001217737303 1134993424 /nfs/dbraw/zinc/99/34/24/1134993424.db2.gz VYIIVMVUVMSAEN-CYBMUJFWSA-N 0 1 273.380 3.606 20 0 CHADMN CCCC(N)(CCC)c1nnc(CC2CCCCC2)o1 ZINC001217733748 1134994127 /nfs/dbraw/zinc/99/41/27/1134994127.db2.gz GMDRAZRUIKPRRF-UHFFFAOYSA-N 0 1 279.428 3.947 20 0 CHADMN CCCCC[C@H](NC)c1nnc(-c2cccc(C)c2)o1 ZINC001217756523 1134994747 /nfs/dbraw/zinc/99/47/47/1134994747.db2.gz ORKYTILXNHZGGI-AWEZNQCLSA-N 0 1 273.380 3.886 20 0 CHADMN Cc1cccc(OC[C@H](C)OCc2cccc3nc[nH]c32)c1 ZINC001217892591 1135018639 /nfs/dbraw/zinc/01/86/39/1135018639.db2.gz PRBIFRHVEYEAHW-AWEZNQCLSA-N 0 1 296.370 3.855 20 0 CHADMN CCCCC[C@@H](Oc1n[nH]c2c1CNCC2)c1ccccc1 ZINC001218356611 1135093021 /nfs/dbraw/zinc/09/30/21/1135093021.db2.gz DVQLHZJQIWCHQR-QGZVFWFLSA-N 0 1 299.418 3.756 20 0 CHADMN CC(C)(CNC(=O)c1ccc(O)c(Cl)c1)C1=CCCC1 ZINC000312278073 1135133343 /nfs/dbraw/zinc/13/33/43/1135133343.db2.gz SAKOWLGPOYDBDG-UHFFFAOYSA-N 0 1 293.794 3.912 20 0 CHADMN C[C@@H]1CCCN(Cc2cccc(O)c2Br)[C@@H]1C ZINC000315777030 1135160628 /nfs/dbraw/zinc/16/06/28/1135160628.db2.gz DPMYMNXILCUFDI-GHMZBOCLSA-N 0 1 298.224 3.775 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000315829290 1135161399 /nfs/dbraw/zinc/16/13/99/1135161399.db2.gz GLUCETMMVUDHKO-IBGZPJMESA-N 0 1 297.398 3.917 20 0 CHADMN Cc1noc([C@@H](NCC[C@@H](C)c2ccccc2)C(C)C)n1 ZINC000194440026 1135162740 /nfs/dbraw/zinc/16/27/40/1135162740.db2.gz CITNQDUKKHEAKO-CJNGLKHVSA-N 0 1 287.407 3.859 20 0 CHADMN Cc1nc2cc(NCc3cn(C)c4ccccc34)ccc2[nH]1 ZINC000318449606 1135178698 /nfs/dbraw/zinc/17/86/98/1135178698.db2.gz FXASWFBVBPRGRT-UHFFFAOYSA-N 0 1 290.370 3.975 20 0 CHADMN COc1ccc2c(ccnc2N[C@@H](C)c2cccc(N)c2)c1 ZINC000319397179 1135184295 /nfs/dbraw/zinc/18/42/95/1135184295.db2.gz DTYCOYRTKDLVRN-LBPRGKRZSA-N 0 1 293.370 3.999 20 0 CHADMN CCCOc1ccc(C)c(-c2[nH]ccc3ncnc2-3)c1 ZINC001222159759 1135202032 /nfs/dbraw/zinc/20/20/32/1135202032.db2.gz BSFAURLODLVFAP-UHFFFAOYSA-N 0 1 267.332 3.722 20 0 CHADMN CCCOc1ccc(C)c(-c2nccc3[nH]cnc32)c1 ZINC001222159759 1135202035 /nfs/dbraw/zinc/20/20/35/1135202035.db2.gz BSFAURLODLVFAP-UHFFFAOYSA-N 0 1 267.332 3.722 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1cccc(OC(F)(F)F)c1 ZINC001222326804 1135226829 /nfs/dbraw/zinc/22/68/29/1135226829.db2.gz GERNKNBGDZOCIS-UHFFFAOYSA-N 0 1 297.211 3.663 20 0 CHADMN Cc1cc2[nH]cnc2cc1-c1ccc(Cl)c(CO)c1F ZINC001222343967 1135228565 /nfs/dbraw/zinc/22/85/65/1135228565.db2.gz OGOKOAUOWYLMQD-UHFFFAOYSA-N 0 1 290.725 3.823 20 0 CHADMN CC(C)(C)c1nc2nc[nH]c2c(-c2ccccc2Cl)n1 ZINC001222423600 1135240966 /nfs/dbraw/zinc/24/09/66/1135240966.db2.gz WCWZZSZSBTZUAB-UHFFFAOYSA-N 0 1 286.766 3.922 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@@H]2OCc1cnc[nH]1 ZINC001223000770 1135292850 /nfs/dbraw/zinc/29/28/50/1135292850.db2.gz QFFKCQSZQQHIIK-HNNXBMFYSA-N 0 1 256.349 3.621 20 0 CHADMN C[C@@H](OCc1cnc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC001223000068 1135293420 /nfs/dbraw/zinc/29/34/20/1135293420.db2.gz KMRYASDILVLEKW-MRVPVSSYSA-N 0 1 271.147 3.994 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@H]2OCc1cnc[nH]1 ZINC001223000771 1135293243 /nfs/dbraw/zinc/29/32/43/1135293243.db2.gz QFFKCQSZQQHIIK-OAHLLOKOSA-N 0 1 256.349 3.621 20 0 CHADMN C[C@H](OCc1cnc[nH]1)c1ccc2ccccc2c1 ZINC001223001161 1135294337 /nfs/dbraw/zinc/29/43/37/1135294337.db2.gz GPIGMFZUUVUEIX-LBPRGKRZSA-N 0 1 252.317 3.841 20 0 CHADMN CC(C)N1CC[C@@H](OC(Cl)(Cl)c2ccccc2)C1 ZINC001223306461 1135324961 /nfs/dbraw/zinc/32/49/61/1135324961.db2.gz UIAIGXVQMSQXQF-CYBMUJFWSA-N 0 1 288.218 3.774 20 0 CHADMN Clc1ccc(CN2CC[C@@H](OCCC3CC3)C2)cc1 ZINC001224762477 1135479851 /nfs/dbraw/zinc/47/98/51/1135479851.db2.gz XEIFAOFNAFDDAU-MRXNPFEDSA-N 0 1 279.811 3.731 20 0 CHADMN Fc1cccc(F)c1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001225200960 1135512358 /nfs/dbraw/zinc/51/23/58/1135512358.db2.gz XNFJIRFCOCOWFC-AWEZNQCLSA-N 0 1 289.325 3.618 20 0 CHADMN Fc1cccc(F)c1O[C@H]1CCN(Cc2ccccc2)C1 ZINC001225200960 1135512361 /nfs/dbraw/zinc/51/23/61/1135512361.db2.gz XNFJIRFCOCOWFC-AWEZNQCLSA-N 0 1 289.325 3.618 20 0 CHADMN FCCN1CCC(Oc2cccc3ccccc32)CC1 ZINC001225266700 1135531386 /nfs/dbraw/zinc/53/13/86/1135531386.db2.gz IMQVLYKLTXNWAA-UHFFFAOYSA-N 0 1 273.351 3.653 20 0 CHADMN [S-]c1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001225553562 1135586603 /nfs/dbraw/zinc/58/66/03/1135586603.db2.gz CPALSYCAVAPQDG-MRXNPFEDSA-N 0 1 285.412 3.629 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc([S-])cc1 ZINC001225558851 1135588162 /nfs/dbraw/zinc/58/81/62/1135588162.db2.gz XZVANULCWWJTOC-KSSFIOAISA-N 0 1 299.439 3.875 20 0 CHADMN [S-]c1ccccc1O[C@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC001225587179 1135591477 /nfs/dbraw/zinc/59/14/77/1135591477.db2.gz IWVIOVGQDKUODB-HNNXBMFYSA-N 0 1 296.395 3.672 20 0 CHADMN C[C@H](Oc1[nH]c(=O)ncc1F)c1cc2ccccc2s1 ZINC001225881496 1135633162 /nfs/dbraw/zinc/63/31/62/1135633162.db2.gz JDTYTVOBMJWTFZ-QMMMGPOBSA-N 0 1 290.319 3.676 20 0 CHADMN Cc1ccc(COc2cccc3[nH]nnc32)c(OC(C)C)c1 ZINC001225992603 1135649531 /nfs/dbraw/zinc/64/95/31/1135649531.db2.gz VHBUZQJZVVFZJC-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN c1cc2c3c(cccc3c1)[C@@H](Oc1cccc3[nH]nnc31)C2 ZINC001225997862 1135650079 /nfs/dbraw/zinc/65/00/79/1135650079.db2.gz SVNYIJQAHMUFDJ-INIZCTEOSA-N 0 1 287.322 3.787 20 0 CHADMN c1cnc2[nH]nc(O[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)c2c1 ZINC001226301516 1135681958 /nfs/dbraw/zinc/68/19/58/1135681958.db2.gz BQHJWFODWUOGGH-YNEHKIRRSA-N 0 1 271.364 3.696 20 0 CHADMN C[C@@H](Oc1nccc(=O)[nH]1)c1c(Cl)cccc1Cl ZINC001226326229 1135684749 /nfs/dbraw/zinc/68/47/49/1135684749.db2.gz IWLVYLHNFMURNX-SSDOTTSWSA-N 0 1 285.130 3.629 20 0 CHADMN C[C@H](Oc1nccc(=O)[nH]1)c1ccc(Cl)cc1Cl ZINC001226324820 1135684821 /nfs/dbraw/zinc/68/48/21/1135684821.db2.gz VEPXCXLXWLATMW-ZETCQYMHSA-N 0 1 285.130 3.629 20 0 CHADMN Cc1ccccc1[C@@H](C)Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001226407909 1135693994 /nfs/dbraw/zinc/69/39/94/1135693994.db2.gz ATKONDGCTBKELQ-LLVKDONJSA-N 0 1 298.317 3.923 20 0 CHADMN COc1cccc([C@@H](C)Oc2cc(N)nc3ccccc32)c1 ZINC001226422220 1135694413 /nfs/dbraw/zinc/69/44/13/1135694413.db2.gz KVMNNTJFNDFNII-GFCCVEGCSA-N 0 1 294.354 3.966 20 0 CHADMN COc1ccccc1[C@@H](C)Oc1nc2ccc(F)cc2[nH]1 ZINC001226700851 1135730228 /nfs/dbraw/zinc/73/02/28/1135730228.db2.gz GGUZGOKVYBSUMW-SNVBAGLBSA-N 0 1 286.306 3.851 20 0 CHADMN C[C@@H](COc1ccccc1)Oc1nc2ccc(F)cc2[nH]1 ZINC001226701676 1135731133 /nfs/dbraw/zinc/73/11/33/1135731133.db2.gz UGUUCDPTCHSVGN-NSHDSACASA-N 0 1 286.306 3.548 20 0 CHADMN CN1CC[C@@H](Oc2cc(Cl)c(Cl)cc2Cl)C1 ZINC001226831660 1135747826 /nfs/dbraw/zinc/74/78/26/1135747826.db2.gz LAAFYJJNWBFAOG-SSDOTTSWSA-N 0 1 280.582 3.730 20 0 CHADMN Clc1ccc2nc(O[C@H]3CCc4cccnc43)[nH]c2c1 ZINC001227262302 1135812315 /nfs/dbraw/zinc/81/23/15/1135812315.db2.gz MIBWKBMXZRCWLC-ZDUSSCGKSA-N 0 1 285.734 3.678 20 0 CHADMN Cc1cccc2nc(OC[C@@H](C)Oc3ccccc3)[nH]c21 ZINC001227267305 1135812466 /nfs/dbraw/zinc/81/24/66/1135812466.db2.gz BECUAQYYXTWXNF-CYBMUJFWSA-N 0 1 282.343 3.718 20 0 CHADMN CCCC(=O)[C@@H](CCC)Oc1nc2cccc(C)c2[nH]1 ZINC001227268972 1135814101 /nfs/dbraw/zinc/81/41/01/1135814101.db2.gz YDWSATWKQPAMQQ-CQSZACIVSA-N 0 1 274.364 3.788 20 0 CHADMN Cc1ccc2nc(=O)[nH]c(O[C@@H](C)c3ccccc3)c2c1 ZINC001227351761 1135824476 /nfs/dbraw/zinc/82/44/76/1135824476.db2.gz UEYPGGLFRKEVRX-LBPRGKRZSA-N 0 1 280.327 3.784 20 0 CHADMN CCCC[C@H](Oc1ncnc2nc[nH]c21)c1ccccc1 ZINC001227531340 1135844067 /nfs/dbraw/zinc/84/40/67/1135844067.db2.gz IALZXWLULAPJOJ-ZDUSSCGKSA-N 0 1 282.347 3.663 20 0 CHADMN CC[NH+](CC)C[C@@H](C)Oc1cc(Cl)c([O-])cc1Cl ZINC001227641512 1135852717 /nfs/dbraw/zinc/85/27/17/1135852717.db2.gz OPTRWRFJPXTFRX-SECBINFHSA-N 0 1 292.206 3.808 20 0 CHADMN Cc1ncc(CN[C@H](C)c2ccccc2C(F)(F)F)n1C ZINC000573339139 334929602 /nfs/dbraw/zinc/92/96/02/334929602.db2.gz FRYMKHNELDIGRE-SNVBAGLBSA-N 0 1 297.324 3.598 20 0 CHADMN Cc1ccc2[nH]c(CN[C@H](C)c3ccccc3)nc2c1 ZINC000083251174 178369468 /nfs/dbraw/zinc/36/94/68/178369468.db2.gz JXQYWLSLVXNNAW-CYBMUJFWSA-N 0 1 265.360 3.722 20 0 CHADMN Cc1ccc2nc(CN[C@H](C)c3ccccc3)[nH]c2c1 ZINC000083251174 178369470 /nfs/dbraw/zinc/36/94/70/178369470.db2.gz JXQYWLSLVXNNAW-CYBMUJFWSA-N 0 1 265.360 3.722 20 0 CHADMN CC[C@]1(C)CCN([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000344278539 529400970 /nfs/dbraw/zinc/40/09/70/529400970.db2.gz VERJSISEOWGUQH-CRAIPNDOSA-N 0 1 288.435 3.752 20 0 CHADMN CC[C@@]1(C)CCN(Cc2ncccc2C(F)(F)F)C1 ZINC000354100607 529527587 /nfs/dbraw/zinc/52/75/87/529527587.db2.gz NRZKCOMBRPWDGY-ZDUSSCGKSA-N 0 1 272.314 3.722 20 0 CHADMN CC[C@@H](F)CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000352817197 529553104 /nfs/dbraw/zinc/55/31/04/529553104.db2.gz QGLKZWOAKHLJJV-MFKMUULPSA-N 0 1 294.197 3.755 20 0 CHADMN CC[C@@H](F)CN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000352817198 529553962 /nfs/dbraw/zinc/55/39/62/529553962.db2.gz QGLKZWOAKHLJJV-ZWNOBZJWSA-N 0 1 294.197 3.755 20 0 CHADMN CC[C@H](NCCO[C@H]1CCCC[C@H]1C)c1nccs1 ZINC000347920053 529604449 /nfs/dbraw/zinc/60/44/49/529604449.db2.gz NVKRGPBUAFJCHA-RDBSUJKOSA-N 0 1 282.453 3.779 20 0 CHADMN CCc1ccc(CN2C[C@H](C)[C@@H]2c2ccccc2)cn1 ZINC000347907988 529645888 /nfs/dbraw/zinc/64/58/88/529645888.db2.gz GJPDQOYNHHWLNY-KBXCAEBGSA-N 0 1 266.388 3.837 20 0 CHADMN CCc1ccc(CNCc2ccccc2OCC2CC2)cn1 ZINC000352774775 529653655 /nfs/dbraw/zinc/65/36/55/529653655.db2.gz RCVRQOPVAOWDDE-UHFFFAOYSA-N 0 1 296.414 3.723 20 0 CHADMN CCc1ccc(CN(C)[C@@H](C)c2cccc(O)c2)cn1 ZINC000347797523 529635945 /nfs/dbraw/zinc/63/59/45/529635945.db2.gz YYFXGPFZXLLJTE-ZDUSSCGKSA-N 0 1 270.376 3.543 20 0 CHADMN CCc1ccc(CN(C)Cc2sccc2C)cn1 ZINC000347662490 529635971 /nfs/dbraw/zinc/63/59/71/529635971.db2.gz BLCPXXUTVMEGQO-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN CCc1ccc(CN(C)[C@H](C)c2cccs2)cn1 ZINC000347589942 529637009 /nfs/dbraw/zinc/63/70/09/529637009.db2.gz OCDNSUZMGNGIKU-GFCCVEGCSA-N 0 1 260.406 3.899 20 0 CHADMN CN(C/C=C\c1ccc(F)cc1F)Cc1ccccn1 ZINC000350385849 529820681 /nfs/dbraw/zinc/82/06/81/529820681.db2.gz ADYJJDWWZCUNHW-PLNGDYQASA-N 0 1 274.314 3.505 20 0 CHADMN CN(CCC(F)(F)F)Cc1ccc2c(c1)CCC2 ZINC000352713959 529874147 /nfs/dbraw/zinc/87/41/47/529874147.db2.gz VEDMUDNDVIWABS-UHFFFAOYSA-N 0 1 257.299 3.560 20 0 CHADMN CN(Cc1ccoc1)Cc1ccc(OCC(F)F)cc1 ZINC000352651366 530012988 /nfs/dbraw/zinc/01/29/88/530012988.db2.gz HHKPSMAKFGMBOZ-UHFFFAOYSA-N 0 1 281.302 3.556 20 0 CHADMN CN(Cc1cn2ccsc2n1)[C@@H]1CCc2ccccc21 ZINC000352747216 530015378 /nfs/dbraw/zinc/01/53/78/530015378.db2.gz DETKDIIQXRAFSF-OAHLLOKOSA-N 0 1 283.400 3.515 20 0 CHADMN Cc1scc(CN[C@H](C)c2cn3ccccc3n2)c1C ZINC000631683649 370708828 /nfs/dbraw/zinc/70/88/28/370708828.db2.gz SWRCYTNCVAGEMH-GFCCVEGCSA-N 0 1 285.416 3.863 20 0 CHADMN c1ccc([C@@H]2CN(CCC3CCCC3)CCO2)cc1 ZINC000574329565 335011014 /nfs/dbraw/zinc/01/10/14/335011014.db2.gz DAQUUFAXJABQBQ-KRWDZBQOSA-N 0 1 259.393 3.640 20 0 CHADMN CCc1nc(C)c([C@H](C)N[C@@H](C)c2cccnc2)s1 ZINC000158475334 261165165 /nfs/dbraw/zinc/16/51/65/261165165.db2.gz IFLVIXGSABUWCF-QWRGUYRKSA-N 0 1 275.421 3.821 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1[C@H](C(=O)[O-])c1ccccc1 ZINC000574406953 335017320 /nfs/dbraw/zinc/01/73/20/335017320.db2.gz ZQZYUGZCZDSPCH-OLMNPRSZSA-N 0 1 295.382 3.690 20 0 CHADMN CCCn1ncc(NCc2ccc3nc[nH]c3c2)c1C1CC1 ZINC000574483093 335023210 /nfs/dbraw/zinc/02/32/10/335023210.db2.gz ZSSRNRGTJKQOSO-UHFFFAOYSA-N 0 1 295.390 3.659 20 0 CHADMN CC(C)C[C@H](CN1CCOCC12CC2)c1ccccc1 ZINC000574587733 335032160 /nfs/dbraw/zinc/03/21/60/335032160.db2.gz XBFCMRJAKCBHSX-QGZVFWFLSA-N 0 1 273.420 3.681 20 0 CHADMN COC1CC(N(C)Cc2cccc(Cl)c2Cl)C1 ZINC000352194418 533032338 /nfs/dbraw/zinc/03/23/38/533032338.db2.gz JNPXLJQRCWMNQG-UHFFFAOYSA-N 0 1 274.191 3.603 20 0 CHADMN Cc1cccc(C)c1[C@H](C)N[C@@H](C)c1cnccn1 ZINC000355072947 227370491 /nfs/dbraw/zinc/37/04/91/227370491.db2.gz YSNQSCBMWQWJLN-KBPBESRZSA-N 0 1 255.365 3.505 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000574884586 335055278 /nfs/dbraw/zinc/05/52/78/335055278.db2.gz UCSVSQYSUMLDIY-UKRRQHHQSA-N 0 1 299.370 3.664 20 0 CHADMN Cc1nccc(NCc2cc(F)ccc2F)c1Cl ZINC000310899765 262178937 /nfs/dbraw/zinc/17/89/37/262178937.db2.gz OXRZHQDNZHUCHT-UHFFFAOYSA-N 0 1 268.694 3.934 20 0 CHADMN COc1c(O)cccc1CN1CCc2ccccc2[C@@H]1C ZINC000352613836 533445147 /nfs/dbraw/zinc/44/51/47/533445147.db2.gz ZFNZINBZSAVWSF-ZDUSSCGKSA-N 0 1 283.371 3.520 20 0 CHADMN C[C@@H](CC(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000352630505 533447563 /nfs/dbraw/zinc/44/75/63/533447563.db2.gz PCPCFAYZWHDQHW-LBPRGKRZSA-N 0 1 279.343 3.695 20 0 CHADMN COc1cccc(CN2CC=C(C)CC2)c1OC(C)C ZINC000353898403 533475127 /nfs/dbraw/zinc/47/51/27/533475127.db2.gz KCKQTSJSDNOGPC-UHFFFAOYSA-N 0 1 275.392 3.634 20 0 CHADMN COc1cccc(CN2Cc3ccccc3C[C@H]2C)c1OC ZINC000353666129 533485211 /nfs/dbraw/zinc/48/52/11/533485211.db2.gz NIDKOVLKSZGLFC-CQSZACIVSA-N 0 1 297.398 3.651 20 0 CHADMN CSCCN1CC=C(c2ccccc2Cl)CC1 ZINC000351946134 533581965 /nfs/dbraw/zinc/58/19/65/533581965.db2.gz YBFCWDQVHJTDQR-UHFFFAOYSA-N 0 1 267.825 3.792 20 0 CHADMN C[C@@H](CCN1CCn2cccc2[C@H]1C)OCc1ccccc1 ZINC000354884390 533590206 /nfs/dbraw/zinc/59/02/06/533590206.db2.gz SEAVYNJMWKSYEK-DLBZAZTESA-N 0 1 298.430 3.860 20 0 CHADMN C[C@@H](O)CCCN1Cc2ccccc2-c2ccccc2C1 ZINC000354896138 533592015 /nfs/dbraw/zinc/59/20/15/533592015.db2.gz QENVLJNKTFSWJB-OAHLLOKOSA-N 0 1 281.399 3.830 20 0 CHADMN C[C@H]1CCN(Cc2nnc(-c3ccccc3)o2)CC1(C)C ZINC000354000190 533646005 /nfs/dbraw/zinc/64/60/05/533646005.db2.gz BBLBRMIGRFQOCW-ZDUSSCGKSA-N 0 1 285.391 3.605 20 0 CHADMN Cc1ccc([C@@H](N[C@@H](C)c2nccn2C)C2CC2)cc1 ZINC000341760484 130027275 /nfs/dbraw/zinc/02/72/75/130027275.db2.gz ZJVJVRQHBUNSMT-XJKSGUPXSA-N 0 1 269.392 3.530 20 0 CHADMN CCn1ccnc1CN(C)C1CCC(C(C)(C)C)CC1 ZINC000341811148 130072430 /nfs/dbraw/zinc/07/24/30/130072430.db2.gz SNXMAPPUAFTWQX-UHFFFAOYSA-N 0 1 277.456 3.940 20 0 CHADMN CC(C)Cc1ncc(CN2CCC(C(F)F)CC2)s1 ZINC000353671473 130095904 /nfs/dbraw/zinc/09/59/04/130095904.db2.gz KRBRBKWANKRHCK-UHFFFAOYSA-N 0 1 288.407 3.819 20 0 CHADMN C[C@H]1COC[C@@H](c2ccccc2)N1CCCCCF ZINC000341914825 130127057 /nfs/dbraw/zinc/12/70/57/130127057.db2.gz ZRDZNXNZFXXRFP-HOCLYGCPSA-N 0 1 265.372 3.588 20 0 CHADMN Cc1nc(C)c(CN2CCC(CC(F)(F)F)CC2)s1 ZINC000341970794 130183835 /nfs/dbraw/zinc/18/38/35/130183835.db2.gz CZORVIHSPXHOPH-UHFFFAOYSA-N 0 1 292.370 3.924 20 0 CHADMN CC[C@H](NC(=O)c1cc(F)cc2nc[nH]c21)c1ccccc1 ZINC000341998068 130189798 /nfs/dbraw/zinc/18/97/98/130189798.db2.gz DWPJIIDRWBRSNB-AWEZNQCLSA-N 0 1 297.333 3.583 20 0 CHADMN Fc1cccc(Cl)c1CN1CCC2(CCOCC2)CC1 ZINC000342001429 130192491 /nfs/dbraw/zinc/19/24/91/130192491.db2.gz ZVXSNOHARNWOPY-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN Fc1ccc(CN2CCC[C@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000342025137 130207075 /nfs/dbraw/zinc/20/70/75/130207075.db2.gz UDCLRDBZVMKCBX-LSDHHAIUSA-N 0 1 283.774 3.623 20 0 CHADMN COCC(C)(C)NCc1coc(-c2ccc(Cl)cc2)n1 ZINC000342053034 130223672 /nfs/dbraw/zinc/22/36/72/130223672.db2.gz HKZILDVGBGTRIY-UHFFFAOYSA-N 0 1 294.782 3.510 20 0 CHADMN C[C@H](c1cnccn1)N(C)Cc1ccc2ccccc2c1 ZINC000342225335 130398085 /nfs/dbraw/zinc/39/80/85/130398085.db2.gz ADZWAZMTJMEIJR-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN2[C@H](C)CCC[C@H]2C)c1 ZINC000009997840 170394192 /nfs/dbraw/zinc/39/41/92/170394192.db2.gz VTFUEERJSGKGBU-HUUCEWRRSA-N 0 1 274.408 3.505 20 0 CHADMN COc1ccc(OC)c([C@H](C)N[C@@H](C)c2ccncc2)c1 ZINC000020121325 171000290 /nfs/dbraw/zinc/00/02/90/171000290.db2.gz JVVURNXHPWKGRC-STQMWFEESA-N 0 1 286.375 3.511 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)cc1F)c1ccncc1 ZINC000020121417 171000388 /nfs/dbraw/zinc/00/03/88/171000388.db2.gz VLYITEYGYWXQKV-MNOVXSKESA-N 0 1 262.303 3.772 20 0 CHADMN C[C@H](NCc1ccc(Br)s1)c1ccncc1 ZINC000020121535 171000915 /nfs/dbraw/zinc/00/09/15/171000915.db2.gz MYPDWVQOEJKAJM-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)N[C@H](C)c1ccncc1 ZINC000020121479 171001143 /nfs/dbraw/zinc/00/11/43/171001143.db2.gz AUAASSGNXGEKAW-ZIAGYGMSSA-N 0 1 270.376 3.810 20 0 CHADMN C[C@@H](NCc1cccc(Br)c1)c1ccccn1 ZINC000020123197 171004172 /nfs/dbraw/zinc/00/41/72/171004172.db2.gz QPONBCWFWHCVMH-LLVKDONJSA-N 0 1 291.192 3.695 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@@H](C)c1ccccc1Cl ZINC000020124129 171005598 /nfs/dbraw/zinc/00/55/98/171005598.db2.gz YSJVZOALKDMILE-JTQLQIEISA-N 0 1 277.799 3.541 20 0 CHADMN CNc1ccccc1-c1nc2ccc(Cl)cc2[nH]1 ZINC000020374729 171169966 /nfs/dbraw/zinc/16/99/66/171169966.db2.gz FFBYFVZFWBHCNL-UHFFFAOYSA-N 0 1 257.724 3.925 20 0 CHADMN COc1ccccc1CN[C@H](C)c1cc(C)oc1C ZINC000020437544 171202400 /nfs/dbraw/zinc/20/24/00/171202400.db2.gz NPGKMTXFRZGBRX-GFCCVEGCSA-N 0 1 259.349 3.756 20 0 CHADMN C[C@@H](NCc1ccco1)c1cccc(Br)c1 ZINC000022215102 171375321 /nfs/dbraw/zinc/37/53/21/171375321.db2.gz UQPOVBNHUOYRCH-SNVBAGLBSA-N 0 1 280.165 3.893 20 0 CHADMN C[C@H](NCc1csc(Br)c1)c1cccnc1 ZINC000035251369 172081423 /nfs/dbraw/zinc/08/14/23/172081423.db2.gz DQTDKWCJRFAHDE-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN C[C@H](NCc1cccc(O)c1)c1ccc(Cl)s1 ZINC000035253423 172083278 /nfs/dbraw/zinc/08/32/78/172083278.db2.gz AFTCVZIQEUDIQI-VIFPVBQESA-N 0 1 267.781 3.958 20 0 CHADMN C[C@@H](NCc1ccc(F)c(F)c1)c1ccc2c(c1)OCO2 ZINC000035256638 172086851 /nfs/dbraw/zinc/08/68/51/172086851.db2.gz CKYMFISOUCUPPK-SNVBAGLBSA-N 0 1 291.297 3.544 20 0 CHADMN CSc1ccc([C@H](C)NCc2c(C)noc2C)cc1 ZINC000035256547 172087121 /nfs/dbraw/zinc/08/71/21/172087121.db2.gz BMZYHXNKIYSAJC-JTQLQIEISA-N 0 1 276.405 3.864 20 0 CHADMN CC[C@@H](NCc1ccsc1)c1ccccc1OC ZINC000035272811 172093547 /nfs/dbraw/zinc/09/35/47/172093547.db2.gz WEWCXRXJPWEILZ-CQSZACIVSA-N 0 1 261.390 3.998 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccsc2)c(OC)c1 ZINC000035275693 172095760 /nfs/dbraw/zinc/09/57/60/172095760.db2.gz RVWCQGUBCUZKAV-LLVKDONJSA-N 0 1 277.389 3.616 20 0 CHADMN CN(Cc1ccc(Cl)s1)Cc1cccc(N)c1 ZINC000035359957 172150912 /nfs/dbraw/zinc/15/09/12/172150912.db2.gz QSYOWLXKITXDRK-UHFFFAOYSA-N 0 1 266.797 3.616 20 0 CHADMN CN[C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000035465014 172212589 /nfs/dbraw/zinc/21/25/89/172212589.db2.gz GKERMZWLPPVIGN-CQSZACIVSA-N 0 1 294.167 3.897 20 0 CHADMN C[C@@H](N[C@H]1CSCc2ccccc21)c1ccncc1 ZINC000037217966 173035759 /nfs/dbraw/zinc/03/57/59/173035759.db2.gz VILUYZOJGZKFRP-WBMJQRKESA-N 0 1 270.401 3.720 20 0 CHADMN C[C@H](N[C@H]1CSCc2ccccc21)c1ccncc1 ZINC000037217965 173036118 /nfs/dbraw/zinc/03/61/18/173036118.db2.gz VILUYZOJGZKFRP-LRDDRELGSA-N 0 1 270.401 3.720 20 0 CHADMN Cc1nccc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC000038037424 174037625 /nfs/dbraw/zinc/03/76/25/174037625.db2.gz ORXMBMCSJHXFQV-JTQLQIEISA-N 0 1 295.308 3.655 20 0 CHADMN Brc1ccc(CN2CCCCCC2)s1 ZINC000043680939 175090958 /nfs/dbraw/zinc/09/09/58/175090958.db2.gz QNZKKRVJWOFROG-UHFFFAOYSA-N 0 1 274.227 3.887 20 0 CHADMN CC[C@H]1CCCCN1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000077668188 177293106 /nfs/dbraw/zinc/29/31/06/177293106.db2.gz JBXNYSCGUQPIOE-NSHDSACASA-N 0 1 289.404 3.543 20 0 CHADMN CC[C@@H]1CCCCN1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000077668187 177293190 /nfs/dbraw/zinc/29/31/90/177293190.db2.gz JBXNYSCGUQPIOE-LLVKDONJSA-N 0 1 289.404 3.543 20 0 CHADMN CCCCN(CC)Cc1nccn1Cc1ccccc1 ZINC000078344330 177334328 /nfs/dbraw/zinc/33/43/28/177334328.db2.gz JEEPUBHFTTVYAZ-UHFFFAOYSA-N 0 1 271.408 3.553 20 0 CHADMN Cc1ccc2nc(NC(=O)c3ccc4cc[nH]c4c3)[nH]c2c1 ZINC000344539011 225081586 /nfs/dbraw/zinc/08/15/86/225081586.db2.gz YSQVDIAIJZCDEH-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN COc1cccc2c1CC[C@@H]2NCc1ccc(Cl)o1 ZINC000344904297 225196837 /nfs/dbraw/zinc/19/68/37/225196837.db2.gz VIYQLHINWMJTTI-ZDUSSCGKSA-N 0 1 277.751 3.719 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@H](C(C)(C)C)C1 ZINC000334746565 225271225 /nfs/dbraw/zinc/27/12/25/225271225.db2.gz AVLCUUDMOONIOW-OLZOCXBDSA-N 0 1 299.418 3.764 20 0 CHADMN O=C(Nc1ccc(F)c(F)c1O)c1cc[nH]c1C1CCC1 ZINC000334746027 225271680 /nfs/dbraw/zinc/27/16/80/225271680.db2.gz AMFDNISIAJHNSH-UHFFFAOYSA-N 0 1 292.285 3.518 20 0 CHADMN C[C@H](N[C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccco1 ZINC000335033578 225398095 /nfs/dbraw/zinc/39/80/95/225398095.db2.gz VUCYSSWOHQADCP-SMDDNHRTSA-N 0 1 286.375 3.815 20 0 CHADMN Fc1cncc(CN[C@@H]2CCSc3c(F)cccc32)c1 ZINC000334846900 225334532 /nfs/dbraw/zinc/33/45/32/225334532.db2.gz FSNALZMBYIKUSS-CQSZACIVSA-N 0 1 292.354 3.687 20 0 CHADMN Nc1ccc2c(c1)CCC[C@@H]2NCc1cccc(F)c1F ZINC000334857434 225339468 /nfs/dbraw/zinc/33/94/68/225339468.db2.gz VBXOWRSSQHSZPL-INIZCTEOSA-N 0 1 288.341 3.714 20 0 CHADMN C[C@]1(O)CCCN(Cc2cscc2C(F)(F)F)CC1 ZINC000335168217 225791480 /nfs/dbraw/zinc/79/14/80/225791480.db2.gz UGBJXMOGLVSQLU-LBPRGKRZSA-N 0 1 293.354 3.504 20 0 CHADMN Cc1cccc(CN(Cc2n[nH]c(C3CC3)n2)CC(C)C)c1 ZINC000347394200 226146053 /nfs/dbraw/zinc/14/60/53/226146053.db2.gz PDCSERMHLRVTGO-UHFFFAOYSA-N 0 1 298.434 3.649 20 0 CHADMN c1c2ccccc2n2c1C[N@@H+](CC1CCC1)CCC2 ZINC000347510136 226172562 /nfs/dbraw/zinc/17/25/62/226172562.db2.gz DAOBAJNQAOUGSI-UHFFFAOYSA-N 0 1 254.377 3.647 20 0 CHADMN c1n[nH]cc1CCN1Cc2ccccc2-c2ccccc2C1 ZINC000347741990 226376568 /nfs/dbraw/zinc/37/65/68/226376568.db2.gz YKRJFUCHUKNSGA-UHFFFAOYSA-N 0 1 289.382 3.635 20 0 CHADMN Cc1ccnc(NC[C@H]2SCCc3ccccc32)c1 ZINC000347750482 226377066 /nfs/dbraw/zinc/37/70/66/226377066.db2.gz HIMCORQMKQUSFZ-OAHLLOKOSA-N 0 1 270.401 3.833 20 0 CHADMN c1cc([C@@H]2CN(CC34CCC(CC3)C4)CCO2)cs1 ZINC000347752865 226377455 /nfs/dbraw/zinc/37/74/55/226377455.db2.gz SUVWAXGAMJOFMW-SIWZUTFBSA-N 0 1 277.433 3.702 20 0 CHADMN C[C@@H](CCC(C)(C)C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000347831537 226381997 /nfs/dbraw/zinc/38/19/97/226381997.db2.gz RQKBMYKYRZUNSD-ZDUSSCGKSA-N 0 1 291.439 3.544 20 0 CHADMN c1cc([C@@H]2CCCN2CCSC2CCCCC2)n[nH]1 ZINC000367013549 226384311 /nfs/dbraw/zinc/38/43/11/226384311.db2.gz AKKFJPHZQKIVOT-HNNXBMFYSA-N 0 1 279.453 3.613 20 0 CHADMN Cc1cc(C(=O)CN2CCC[C@H]2c2cccc(C)c2)c(C)[nH]1 ZINC000347989370 226399048 /nfs/dbraw/zinc/39/90/48/226399048.db2.gz HCMDOTFKEJVFGY-SFHVURJKSA-N 0 1 296.414 3.960 20 0 CHADMN Cc1ccc(F)cc1CN[C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000575156854 335073592 /nfs/dbraw/zinc/07/35/92/335073592.db2.gz BVRNSGDLDDCOPK-DIFFPNOSSA-N 0 1 289.325 3.885 20 0 CHADMN Cc1ccc(F)cc1CN[C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000575156856 335073704 /nfs/dbraw/zinc/07/37/04/335073704.db2.gz BVRNSGDLDDCOPK-PIGZYNQJSA-N 0 1 289.325 3.885 20 0 CHADMN CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCCCC(=O)[O-])o1 ZINC000575188026 335077872 /nfs/dbraw/zinc/07/78/72/335077872.db2.gz GKPAIWJWRQABRW-HIFRSBDPSA-N 0 1 293.407 3.870 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CC(C)(C)OC(C)(C)C1 ZINC000442880670 226792383 /nfs/dbraw/zinc/79/23/83/226792383.db2.gz ZHGKIVHLGQGZTQ-GFCCVEGCSA-N 0 1 265.372 3.776 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H]1CCOc2c(F)cccc21 ZINC000336402591 226981055 /nfs/dbraw/zinc/98/10/55/226981055.db2.gz NDWQCZJOBMXJCF-MLGOLLRUSA-N 0 1 286.350 3.704 20 0 CHADMN FC[C@H]1CCCN1Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000354522490 227021784 /nfs/dbraw/zinc/02/17/84/227021784.db2.gz RIKJQRVQFJKXFY-CQSZACIVSA-N 0 1 293.773 3.664 20 0 CHADMN Cc1cc(-c2nnc(CN3CCCCC[C@@H]3C)o2)c(C)o1 ZINC000336495707 227062624 /nfs/dbraw/zinc/06/26/24/227062624.db2.gz IGPCRULHUMGZBS-NSHDSACASA-N 0 1 289.379 3.711 20 0 CHADMN Cc1nccc(N(Cc2cccnc2)C2CC2)c1Cl ZINC000350292835 226981373 /nfs/dbraw/zinc/98/13/73/226981373.db2.gz ZUUMMZFELGXMFN-UHFFFAOYSA-N 0 1 273.767 3.607 20 0 CHADMN CO[C@H]1CCCN([C@@H](C)c2ccc(Br)cc2)C1 ZINC000171823615 335081395 /nfs/dbraw/zinc/08/13/95/335081395.db2.gz WUBKHZRGLYPWOU-FZMZJTMJSA-N 0 1 298.224 3.621 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1ccc2c(c1)CCCC2 ZINC000352629873 227127289 /nfs/dbraw/zinc/12/72/89/227127289.db2.gz LCYHPHPPTSYQSK-UHFFFAOYSA-N 0 1 291.354 3.694 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1sccc1C1CC1 ZINC000352631386 227130857 /nfs/dbraw/zinc/13/08/57/227130857.db2.gz VZDWGIOAXQNAFX-UHFFFAOYSA-N 0 1 283.356 3.754 20 0 CHADMN C[C@H](c1nnc(-c2ccccc2F)s1)N1CCC[C@@H]1C ZINC000336584588 227139267 /nfs/dbraw/zinc/13/92/67/227139267.db2.gz UDDOBBBZRSSRMF-WDEREUQCSA-N 0 1 291.395 3.890 20 0 CHADMN Cc1cc(Br)ccc1CN(C)Cc1ccoc1 ZINC000352655427 227146039 /nfs/dbraw/zinc/14/60/39/227146039.db2.gz RXCIUQVJQJYNQN-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN Cc1sc2nc(CN(C(C)C)C(C)C)nc(N)c2c1C ZINC000352768519 227202444 /nfs/dbraw/zinc/20/24/44/227202444.db2.gz IETDCSVJXOXINE-UHFFFAOYSA-N 0 1 292.452 3.509 20 0 CHADMN C[C@@H]1CSC[C@H]1NCc1csc(C2CCCC2)n1 ZINC000352801213 227239056 /nfs/dbraw/zinc/23/90/56/227239056.db2.gz RYDJKKVGVOGZRP-ZWNOBZJWSA-N 0 1 282.478 3.642 20 0 CHADMN Cc1cccc([C@H](N[C@@H]2COC(C)(C)C2)c2ccccn2)c1 ZINC000417967458 227255345 /nfs/dbraw/zinc/25/53/45/227255345.db2.gz OJNCRDMTVZPCBH-WMZOPIPTSA-N 0 1 296.414 3.637 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3cccc(C(C)C)n3)ccc12 ZINC000355005042 227304576 /nfs/dbraw/zinc/30/45/76/227304576.db2.gz WYSOEVPCTPVSPW-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN Cc1ccc(F)c(CN2CCC(OC3CCC3)CC2)c1 ZINC000418093556 228029927 /nfs/dbraw/zinc/02/99/27/228029927.db2.gz QIMIHGNDRBVCKU-UHFFFAOYSA-N 0 1 277.383 3.668 20 0 CHADMN CCn1cncc1CN[C@@H]1CCCc2sc(Cl)cc21 ZINC000418067860 228000037 /nfs/dbraw/zinc/00/00/37/228000037.db2.gz PNURWDLKIAGIRV-GFCCVEGCSA-N 0 1 295.839 3.785 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN2CCC(OC3CCC3)CC2)o1 ZINC000418087403 228022356 /nfs/dbraw/zinc/02/23/56/228022356.db2.gz CANWKAOYGPBELA-GUYCJALGSA-N 0 1 289.419 3.937 20 0 CHADMN Cc1c2ccccc2oc1[C@H](C)N[C@H](C)c1ccc(=O)[nH]n1 ZINC000353403879 228096528 /nfs/dbraw/zinc/09/65/28/228096528.db2.gz MYEJNVQXGOSOPQ-NEPJUHHUSA-N 0 1 297.358 3.649 20 0 CHADMN Cc1ncsc1CN[C@@H](C)c1nccc2ccccc21 ZINC000353407502 228097500 /nfs/dbraw/zinc/09/75/00/228097500.db2.gz BRHRYDVIAMSPCB-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1c([C@@H](C)N[C@H](C)c2nccc3ccccc32)cnn1C ZINC000353428598 228100504 /nfs/dbraw/zinc/10/05/04/228100504.db2.gz RXQDTKVURLUFDZ-CHWSQXEVSA-N 0 1 294.402 3.689 20 0 CHADMN Cc1c([C@H](C)N[C@H](C)c2nccc3ccccc32)cnn1C ZINC000353428600 228100665 /nfs/dbraw/zinc/10/06/65/228100665.db2.gz RXQDTKVURLUFDZ-QWHCGFSZSA-N 0 1 294.402 3.689 20 0 CHADMN Cc1noc([C@@H]2CCCCN2CCCC2CCCC2)n1 ZINC000353550345 228118758 /nfs/dbraw/zinc/11/87/58/228118758.db2.gz OBTFMGUZPUEYSH-HNNXBMFYSA-N 0 1 277.412 3.875 20 0 CHADMN Cc1cccc(NCCc2c[nH]c3ccccc23)n1 ZINC000114183326 228043954 /nfs/dbraw/zinc/04/39/54/228043954.db2.gz ABNITGAQVMCQPY-UHFFFAOYSA-N 0 1 251.333 3.526 20 0 CHADMN C[C@@H](NCCc1ccc(F)c(F)c1)c1c(F)cncc1F ZINC000353198975 228068014 /nfs/dbraw/zinc/06/80/14/228068014.db2.gz ASSYTGSLJZNGNR-SECBINFHSA-N 0 1 298.283 3.531 20 0 CHADMN Clc1cccc(CNCc2ccc3cc[nH]c3n2)c1 ZINC000353218226 228070982 /nfs/dbraw/zinc/07/09/82/228070982.db2.gz JSILFPNFFQQYJC-UHFFFAOYSA-N 0 1 271.751 3.506 20 0 CHADMN CSCc1cnc(CN(C)C2(C)CCCC2)s1 ZINC000353232623 228072766 /nfs/dbraw/zinc/07/27/66/228072766.db2.gz UCAYWKOLCVWTLJ-UHFFFAOYSA-N 0 1 270.467 3.771 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc3cc[nH]c3n2)c(C)o1 ZINC000353631105 228136282 /nfs/dbraw/zinc/13/62/82/228136282.db2.gz OTBHHZPOOIMDQS-LLVKDONJSA-N 0 1 269.348 3.624 20 0 CHADMN Fc1cccc2c1CN(Cc1cccc3[nH]ccc31)CC2 ZINC000353668847 228142253 /nfs/dbraw/zinc/14/22/53/228142253.db2.gz BEPCLFHUHHTRDK-UHFFFAOYSA-N 0 1 280.346 3.865 20 0 CHADMN COCc1nc(CN2CCCC[C@@H]2CC(C)C)cs1 ZINC000353743331 228149499 /nfs/dbraw/zinc/14/94/99/228149499.db2.gz CPHXLWGQNJVENG-CQSZACIVSA-N 0 1 282.453 3.690 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(OC(F)F)cc2)n1 ZINC000353747693 228150502 /nfs/dbraw/zinc/15/05/02/228150502.db2.gz GIPLZSSOYBUFID-UHFFFAOYSA-N 0 1 292.329 3.623 20 0 CHADMN NC(=O)C[C@H]1CCCCN1Cc1nc2ccccc2s1 ZINC000332271012 228153851 /nfs/dbraw/zinc/15/38/51/228153851.db2.gz WVNUCHKBZQWUSH-LLVKDONJSA-N 0 1 289.404 3.576 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)Cc2ncc(Cl)s2)C1 ZINC000351995916 228173154 /nfs/dbraw/zinc/17/31/54/228173154.db2.gz MKTAYEKTCIYYIG-VHSXEESVSA-N 0 1 258.818 3.807 20 0 CHADMN Clc1cnc(CN2CCC[C@H]2C2CCCC2)s1 ZINC000351997853 228173308 /nfs/dbraw/zinc/17/33/08/228173308.db2.gz WBZKSHLTECDZDQ-NSHDSACASA-N 0 1 270.829 3.951 20 0 CHADMN COCC(C)(C)NCc1nc(-c2ccc(C)cc2)cs1 ZINC000352004359 228173520 /nfs/dbraw/zinc/17/35/20/228173520.db2.gz PASYTEQKJSQPBO-UHFFFAOYSA-N 0 1 290.432 3.633 20 0 CHADMN Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cnc(C)nc2)cc1 ZINC000352044401 228176671 /nfs/dbraw/zinc/17/66/71/228176671.db2.gz HFOJHDFDSWEQLD-SFHVURJKSA-N 0 1 281.403 3.821 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2cnc(C)nc2)cc1 ZINC000352044401 228176672 /nfs/dbraw/zinc/17/66/72/228176672.db2.gz HFOJHDFDSWEQLD-SFHVURJKSA-N 0 1 281.403 3.821 20 0 CHADMN C[C@@H](Nc1cc2c(cn1)CCCC2)c1nccs1 ZINC000336032051 228179803 /nfs/dbraw/zinc/17/98/03/228179803.db2.gz SERHPBFBZXDTSK-SNVBAGLBSA-N 0 1 259.378 3.590 20 0 CHADMN Cc1cc(C)cc(NC(=O)[C@@H](C)N2CCCC3(CC3)C2)c1 ZINC000352280572 228212612 /nfs/dbraw/zinc/21/26/12/228212612.db2.gz RYXCNLAPVINQSX-OAHLLOKOSA-N 0 1 286.419 3.506 20 0 CHADMN Cc1oc(C[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)cc1C(=O)[O-] ZINC000516777312 260011158 /nfs/dbraw/zinc/01/11/58/260011158.db2.gz VQQOCQCOMSXUPO-IUODEOHRSA-N 0 1 299.370 3.664 20 0 CHADMN CC(C)C[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC000179512886 260052114 /nfs/dbraw/zinc/05/21/14/260052114.db2.gz CHHPUIBIYLGHJE-UHFFFAOYSA-N 0 1 269.392 3.697 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000036935160 260053639 /nfs/dbraw/zinc/05/36/39/260053639.db2.gz DMXUFCFUFHACIE-SECBINFHSA-N 0 1 296.317 3.744 20 0 CHADMN c1cc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)CCC3)ccn1 ZINC000179570442 260056069 /nfs/dbraw/zinc/05/60/69/260056069.db2.gz CLZNVLCSJCUPRC-IBGZPJMESA-N 0 1 278.399 3.907 20 0 CHADMN Cc1ccn2c(CN(C)[C@@H](C)c3ccccc3)cnc2c1 ZINC000179701431 260065269 /nfs/dbraw/zinc/06/52/69/260065269.db2.gz CSYGNBQHDOWNOE-HNNXBMFYSA-N 0 1 279.387 3.836 20 0 CHADMN CCCn1cc(CN2CC=C(c3ccc(F)cc3)CC2)cn1 ZINC000179787496 260069074 /nfs/dbraw/zinc/06/90/74/260069074.db2.gz OQVZENOZLRVYGX-UHFFFAOYSA-N 0 1 299.393 3.722 20 0 CHADMN c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000179816718 260074594 /nfs/dbraw/zinc/07/45/94/260074594.db2.gz YFPJPBDZGXMFLQ-QGZVFWFLSA-N 0 1 281.403 3.841 20 0 CHADMN FC(F)(F)C[C@@H](NCc1ccncc1)c1ccccc1 ZINC000037232152 260076265 /nfs/dbraw/zinc/07/62/65/260076265.db2.gz FCLZFYHMRLVEPZ-CQSZACIVSA-N 0 1 280.293 3.865 20 0 CHADMN c1coc(CN(Cc2cnn3ccccc23)C2CCCC2)c1 ZINC000180075920 260092019 /nfs/dbraw/zinc/09/20/19/260092019.db2.gz KMXBAUIAZQBSLL-UHFFFAOYSA-N 0 1 295.386 3.872 20 0 CHADMN COc1cccc(CNCc2cc3ccccc3o2)c1 ZINC000037487094 260111516 /nfs/dbraw/zinc/11/15/16/260111516.db2.gz LVYFZSJTOJFNCX-UHFFFAOYSA-N 0 1 267.328 3.731 20 0 CHADMN C[C@H](N[C@H]1CCc2c1cccc2O)c1ccccc1F ZINC000037764575 260116969 /nfs/dbraw/zinc/11/69/69/260116969.db2.gz HKHYWEUKAGHXHL-ZBEGNZNMSA-N 0 1 271.335 3.869 20 0 CHADMN CC(C)[C@@H](O)C(C)(C)CNCc1ncc(C(C)(C)C)s1 ZINC000447895532 260156149 /nfs/dbraw/zinc/15/61/49/260156149.db2.gz CKZCPPYSDXFYKY-CQSZACIVSA-N 0 1 298.496 3.573 20 0 CHADMN C[C@H]1CCCCCN1CC(=O)c1c[nH]c2ccccc12 ZINC000070410637 260157071 /nfs/dbraw/zinc/15/70/71/260157071.db2.gz PNDUMADOHXNVFZ-ZDUSSCGKSA-N 0 1 270.376 3.615 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc2ccccc21)c1nccn1C ZINC000070443620 260157618 /nfs/dbraw/zinc/15/76/18/260157618.db2.gz RQUVFJMHJVNHAS-KBPBESRZSA-N 0 1 279.387 3.985 20 0 CHADMN Cc1csc([C@@H](C)NCc2cccc3[nH]ccc32)n1 ZINC000070939617 260158557 /nfs/dbraw/zinc/15/85/57/260158557.db2.gz MDEYHLNULSOKBP-LLVKDONJSA-N 0 1 271.389 3.784 20 0 CHADMN Cc1ncsc1CNCc1ccccc1C(F)(F)F ZINC000071212323 260160412 /nfs/dbraw/zinc/16/04/12/260160412.db2.gz BGCVZWYSOVOWBX-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CCOC(C)(C)CNCc1cc(Cl)sc1Cl ZINC000312585778 260161777 /nfs/dbraw/zinc/16/17/77/260161777.db2.gz QSMFFIFHSMYIDK-UHFFFAOYSA-N 0 1 282.236 3.960 20 0 CHADMN CC[C@@H](NCc1ccc(CO)o1)c1ccc(Cl)cc1 ZINC000077897830 260167440 /nfs/dbraw/zinc/16/74/40/260167440.db2.gz FRAFKWNWNYHKIA-OAHLLOKOSA-N 0 1 279.767 3.666 20 0 CHADMN CC1(C)Cc2cccc(CNCc3ccsc3)c2O1 ZINC000078005966 260167969 /nfs/dbraw/zinc/16/79/69/260167969.db2.gz ZSHOVSJFSRZBAX-UHFFFAOYSA-N 0 1 273.401 3.751 20 0 CHADMN CC(C)[C@H](NCc1cn2ccccc2n1)c1ccccc1 ZINC000078533563 260168305 /nfs/dbraw/zinc/16/83/05/260168305.db2.gz ZLDAVYDXFXWSDJ-SFHVURJKSA-N 0 1 279.387 3.821 20 0 CHADMN Cc1ncc(CNCc2cccc(Br)c2)s1 ZINC000040997301 260181629 /nfs/dbraw/zinc/18/16/29/260181629.db2.gz PBCVWSXGGHHYCE-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN C[C@@H]1CC[C@H](CNCc2cc(Cl)sc2Cl)O1 ZINC000312769826 260199680 /nfs/dbraw/zinc/19/96/80/260199680.db2.gz QCDHWTQEFCUMEL-VXNVDRBHSA-N 0 1 280.220 3.712 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809582 260209995 /nfs/dbraw/zinc/20/99/95/260209995.db2.gz AJZGHCICGGYNIZ-GDBMZVCRSA-N 0 1 275.392 3.715 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809822 260210371 /nfs/dbraw/zinc/21/03/71/260210371.db2.gz XHUYNAJUHWXYFJ-CHWSQXEVSA-N 0 1 295.810 3.978 20 0 CHADMN CCO[C@H]1C[C@H](NCc2csc(C)n2)C12CCCCC2 ZINC000087299357 260213331 /nfs/dbraw/zinc/21/33/31/260213331.db2.gz QCGBMCNEBMWHAQ-GJZGRUSLSA-N 0 1 294.464 3.669 20 0 CHADMN CCN(Cc1cc(OC)ccc1Br)C(C)C ZINC000087797907 260218745 /nfs/dbraw/zinc/21/87/45/260218745.db2.gz RGFIXDYPZQQHFH-UHFFFAOYSA-N 0 1 286.213 3.688 20 0 CHADMN CC(C)n1cncc1CNCc1ccc(F)c(Cl)c1 ZINC000090209104 260239217 /nfs/dbraw/zinc/23/92/17/260239217.db2.gz JSJUPDBXEROMMZ-UHFFFAOYSA-N 0 1 281.762 3.546 20 0 CHADMN CC(C)C[C@H](C)C[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000517759403 260240318 /nfs/dbraw/zinc/24/03/18/260240318.db2.gz VNGXPBDWFXFEOM-BHYGNILZSA-N 0 1 289.419 3.959 20 0 CHADMN CC(=O)Nc1ccccc1CNCc1ccc(Cl)cc1 ZINC000090735990 260261850 /nfs/dbraw/zinc/26/18/50/260261850.db2.gz UOQFOPPWLBNYFN-UHFFFAOYSA-N 0 1 288.778 3.588 20 0 CHADMN CN(CCc1cccs1)CC(=O)c1c[nH]c2ccccc21 ZINC000091527992 260266160 /nfs/dbraw/zinc/26/61/60/260266160.db2.gz DCOODOCQJFHEFG-UHFFFAOYSA-N 0 1 298.411 3.587 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2cnccn2)c(C)s1 ZINC000070478899 260266860 /nfs/dbraw/zinc/26/68/60/260266860.db2.gz UJSXSPMVQVWAFJ-QWRGUYRKSA-N 0 1 261.394 3.567 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccc(F)cn2)cc1F ZINC000092196013 260267904 /nfs/dbraw/zinc/26/79/04/260267904.db2.gz YAKWKELGPORBGA-WDEREUQCSA-N 0 1 292.329 3.780 20 0 CHADMN Fc1cc2c(c(F)c1F)[C@@H](N[C@@H]1C=CCCC1)CC2 ZINC000449187035 260285311 /nfs/dbraw/zinc/28/53/11/260285311.db2.gz DDJAHOVLMWRPAP-PWSUYJOCSA-N 0 1 267.294 3.790 20 0 CHADMN C[C@H](Cc1coc2ccccc12)N[C@@H](C)c1ccon1 ZINC000449240228 260303866 /nfs/dbraw/zinc/30/38/66/260303866.db2.gz YLMKKJBUCVWTKZ-NEPJUHHUSA-N 0 1 270.332 3.703 20 0 CHADMN Cc1ccc(OCCNCc2cc(F)ccc2F)c(C)c1 ZINC000518278340 260367561 /nfs/dbraw/zinc/36/75/61/260367561.db2.gz NMYQIUGVPKYKDP-UHFFFAOYSA-N 0 1 291.341 3.750 20 0 CHADMN CC1CN(Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449295603 260372150 /nfs/dbraw/zinc/37/21/50/260372150.db2.gz UAALCXLWSCWOQP-UHFFFAOYSA-N 0 1 280.343 3.540 20 0 CHADMN C[C@H]1CN(Cc2ccc(Br)s2)C[C@@H]1C ZINC000085697312 260377994 /nfs/dbraw/zinc/37/79/94/260377994.db2.gz PFOPJPSFQVBFMV-IUCAKERBSA-N 0 1 274.227 3.598 20 0 CHADMN CC1CN(Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000518340929 260379654 /nfs/dbraw/zinc/37/96/54/260379654.db2.gz YZZIBGOBVKAVHY-UHFFFAOYSA-N 0 1 263.287 3.677 20 0 CHADMN CCCCc1noc(CN(C(C)C)C2CCCC2)n1 ZINC000409445703 260406582 /nfs/dbraw/zinc/40/65/82/260406582.db2.gz XIFUUIMFPVKDGQ-UHFFFAOYSA-N 0 1 265.401 3.565 20 0 CHADMN CC[C@@H](CN[C@H](C)c1nccs1)Oc1cccc(C)c1 ZINC000090218708 260456767 /nfs/dbraw/zinc/45/67/67/260456767.db2.gz WQWIFGKXQOEYNI-KGLIPLIRSA-N 0 1 290.432 3.960 20 0 CHADMN C[C@@H]1OCC[C@H]1N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000090969088 260470366 /nfs/dbraw/zinc/47/03/66/260470366.db2.gz XUBFEQJEBJBHBK-BIMULSAOSA-N 0 1 291.288 3.586 20 0 CHADMN C[C@H](NCc1ccccc1OCC1CC1)c1cccnc1 ZINC000151862303 261056840 /nfs/dbraw/zinc/05/68/40/261056840.db2.gz AGQKCDVIIUSYII-AWEZNQCLSA-N 0 1 282.387 3.721 20 0 CHADMN CCc1nc2c(s1)[C@@H](N[C@@H](C)c1ccccn1)CCC2 ZINC000152370259 261063349 /nfs/dbraw/zinc/06/33/49/261063349.db2.gz YVTBBVACBJDJAK-AAEUAGOBSA-N 0 1 287.432 3.829 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccn1)c1ccc(F)cc1N(C)C ZINC000152397302 261063787 /nfs/dbraw/zinc/06/37/87/261063787.db2.gz GNHCUJWDKNBQNN-OLZOCXBDSA-N 0 1 287.382 3.699 20 0 CHADMN Cc1cnc([C@H](C)N(C)CC2(c3ccccc3)CC2)o1 ZINC000444684747 261063900 /nfs/dbraw/zinc/06/39/00/261063900.db2.gz LUPHUMKNFUAWKD-AWEZNQCLSA-N 0 1 270.376 3.708 20 0 CHADMN Cc1cccc(CN(Cc2ccccn2)C[C@@H]2CCCO2)c1 ZINC000153607067 261081043 /nfs/dbraw/zinc/08/10/43/261081043.db2.gz DEHWBORZVBKLGI-IBGZPJMESA-N 0 1 296.414 3.571 20 0 CHADMN COc1cc(F)cc(CN(Cc2ccco2)C(C)C)c1 ZINC000449011618 261085957 /nfs/dbraw/zinc/08/59/57/261085957.db2.gz RWXBGDBENUFSLK-UHFFFAOYSA-N 0 1 277.339 3.838 20 0 CHADMN Fc1ccc2c(c1)[C@H](Sc1nc(C3CC3)n[nH]1)CCC2 ZINC000155370780 261101195 /nfs/dbraw/zinc/10/11/95/261101195.db2.gz IBYNDOXNIOWYNF-CYBMUJFWSA-N 0 1 289.379 3.991 20 0 CHADMN Fc1ccc2c(c1)[C@H](Sc1n[nH]c(C3CC3)n1)CCC2 ZINC000155370780 261101197 /nfs/dbraw/zinc/10/11/97/261101197.db2.gz IBYNDOXNIOWYNF-CYBMUJFWSA-N 0 1 289.379 3.991 20 0 CHADMN C[C@H](NCCn1ccnc1)c1cc(Cl)sc1Cl ZINC000155683659 261106076 /nfs/dbraw/zinc/10/60/76/261106076.db2.gz AXKKIYLXRWICJZ-QMMMGPOBSA-N 0 1 290.219 3.602 20 0 CHADMN C[C@H](Sc1c[nH]nn1)c1ccc(C(F)(F)F)cc1 ZINC000155872970 261109381 /nfs/dbraw/zinc/10/93/81/261109381.db2.gz XLRQUQWAQISJSW-ZETCQYMHSA-N 0 1 273.283 3.677 20 0 CHADMN CSC[C@@H]1CCCN1Cc1ncc(C(C)(C)C)s1 ZINC000448338175 261118512 /nfs/dbraw/zinc/11/85/12/261118512.db2.gz ZDDQEFPIJZTZNK-NSHDSACASA-N 0 1 284.494 3.768 20 0 CHADMN C[C@H](NCc1ccnn1C1CCCC1)c1ccccc1 ZINC000449061615 261142417 /nfs/dbraw/zinc/14/24/17/261142417.db2.gz GYHWGGNMTOSNCA-AWEZNQCLSA-N 0 1 269.392 3.849 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(-n3cncn3)cc2)o1 ZINC000158188656 261160840 /nfs/dbraw/zinc/16/08/40/261160840.db2.gz LZCIYLWEBQMNQR-UONOGXRCSA-N 0 1 296.374 3.581 20 0 CHADMN CC[C@@H](C)c1cc(C(=O)Nc2cccc(Cl)c2O)on1 ZINC000173474484 261163356 /nfs/dbraw/zinc/16/33/56/261163356.db2.gz MFLBWVYWULNWID-MRVPVSSYSA-N 0 1 294.738 3.799 20 0 CHADMN CCCC(=O)Nc1ccc(CN[C@@H](C)c2ccccn2)cc1 ZINC000158658781 261168930 /nfs/dbraw/zinc/16/89/30/261168930.db2.gz NDGFAASCQZQROU-AWEZNQCLSA-N 0 1 297.402 3.671 20 0 CHADMN C[C@@H]1CN(Cc2csc(Cl)c2Cl)C[C@@H](C)N1C ZINC000354448239 261213316 /nfs/dbraw/zinc/21/33/16/261213316.db2.gz PHBKWZXKACYAJQ-RKDXNWHRSA-N 0 1 293.263 3.579 20 0 CHADMN Oc1c(F)cc(/C=C/c2nc3ccccc3o2)cc1F ZINC000175319755 261219885 /nfs/dbraw/zinc/21/98/85/261219885.db2.gz PTFGBFFJWPCWAY-AATRIKPKSA-N 0 1 273.238 3.982 20 0 CHADMN CC(C)Oc1ccccc1CN1CCC[C@@H](n2cccn2)C1 ZINC000102409455 261235076 /nfs/dbraw/zinc/23/50/76/261235076.db2.gz QCARZYXZXHHDJT-QGZVFWFLSA-N 0 1 299.418 3.507 20 0 CHADMN Cc1ccccc1CN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000464843964 261241164 /nfs/dbraw/zinc/24/11/64/261241164.db2.gz BKROIBUNCSDCAW-QFBILLFUSA-N 0 1 281.399 3.957 20 0 CHADMN CCN(Cc1nc(C2CC2)cs1)CC1CCC1 ZINC000361481340 261289278 /nfs/dbraw/zinc/28/92/78/261289278.db2.gz LUPJYKGFKUSQMZ-UHFFFAOYSA-N 0 1 250.411 3.643 20 0 CHADMN COc1ccc([C@H](N[C@H](C)c2cnccn2)C(C)C)cc1 ZINC000163042428 261303423 /nfs/dbraw/zinc/30/34/23/261303423.db2.gz BUDJIYKPEIGDFN-CXAGYDPISA-N 0 1 285.391 3.533 20 0 CHADMN c1nc(CN2CCC[C@H](Cc3ccccc3)C2)cs1 ZINC000371548828 261322601 /nfs/dbraw/zinc/32/26/01/261322601.db2.gz WSWWEPFKHYELCS-OAHLLOKOSA-N 0 1 272.417 3.598 20 0 CHADMN Cc1sc(NC(=O)CN(C)[C@H](C)C2(C)CC2)c(C)c1C ZINC000177218026 261340377 /nfs/dbraw/zinc/34/03/77/261340377.db2.gz AQTFKALGWKKKPJ-CYBMUJFWSA-N 0 1 294.464 3.732 20 0 CHADMN CCc1ccccc1CNCc1ccc(OC)cc1OC ZINC000104151829 261342635 /nfs/dbraw/zinc/34/26/35/261342635.db2.gz IBLOVCASLYGZGN-UHFFFAOYSA-N 0 1 285.387 3.556 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN(C)[C@@H](C)C1(C)CC1 ZINC000177250008 261342967 /nfs/dbraw/zinc/34/29/67/261342967.db2.gz FHIZXFJDQAALNN-LBPRGKRZSA-N 0 1 294.826 3.707 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN(C)[C@H](C)C1(C)CC1 ZINC000177250023 261343140 /nfs/dbraw/zinc/34/31/40/261343140.db2.gz FHIZXFJDQAALNN-GFCCVEGCSA-N 0 1 294.826 3.707 20 0 CHADMN COC[C@H](N[C@@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000177334150 261348216 /nfs/dbraw/zinc/34/82/16/261348216.db2.gz FRYNHAWBDOEMIX-KSSFIOAISA-N 0 1 285.387 3.734 20 0 CHADMN C[C@H](NCc1ccccc1OC1CCCC1)c1cnn(C)c1 ZINC000164808075 261359601 /nfs/dbraw/zinc/35/96/01/261359601.db2.gz NBNHANQIVFCVCI-AWEZNQCLSA-N 0 1 299.418 3.592 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CC[C@H](C)[C@@H]1C ZINC000177884069 261371575 /nfs/dbraw/zinc/37/15/75/261371575.db2.gz SKPWZRPJCFLMOX-STQMWFEESA-N 0 1 275.392 3.518 20 0 CHADMN CCc1noc(CC)c1CN[C@H](C)c1ccc(OC)cc1 ZINC000166990171 261395458 /nfs/dbraw/zinc/39/54/58/261395458.db2.gz MGFDQLCGJSONFQ-GFCCVEGCSA-N 0 1 288.391 3.659 20 0 CHADMN CCc1noc(CC)c1CN[C@@H]1CCc2cc(F)ccc21 ZINC000166926163 261395941 /nfs/dbraw/zinc/39/59/41/261395941.db2.gz YWSQKNAUECHTEY-MRXNPFEDSA-N 0 1 288.366 3.716 20 0 CHADMN Cc1[nH]ccc1C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000175181109 261597382 /nfs/dbraw/zinc/59/73/82/261597382.db2.gz JRWDRWRZTXKRQI-UHFFFAOYSA-N 0 1 296.374 3.749 20 0 CHADMN Cc1ncsc1CN(C)Cc1cccc2[nH]ccc21 ZINC000179429812 261786261 /nfs/dbraw/zinc/78/62/61/261786261.db2.gz FBDAKQQEOUOGFU-UHFFFAOYSA-N 0 1 271.389 3.565 20 0 CHADMN CCC[N@@H+](CCCCC(=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000181549454 261901582 /nfs/dbraw/zinc/90/15/82/261901582.db2.gz BFKOPMAUNWYMLZ-KRWDZBQOSA-N 0 1 289.419 3.511 20 0 CHADMN CCN(Cc1cnn(CC(C)C)c1)Cc1cccs1 ZINC000182990210 261959170 /nfs/dbraw/zinc/95/91/70/261959170.db2.gz PMWROQNYVGZNAJ-UHFFFAOYSA-N 0 1 277.437 3.623 20 0 CHADMN Cc1ccccc1[C@H](NCc1cn2cccnc2n1)C(C)C ZINC000183224804 261968039 /nfs/dbraw/zinc/96/80/39/261968039.db2.gz SEOYKZFHRYVLIV-QGZVFWFLSA-N 0 1 294.402 3.525 20 0 CHADMN CCOc1ccccc1C[N@@H+](C)C[C@H](C)c1nccs1 ZINC000183965100 262002732 /nfs/dbraw/zinc/00/27/32/262002732.db2.gz NSDGADQHUWJVLL-ZDUSSCGKSA-N 0 1 290.432 3.777 20 0 CHADMN COc1ccc(F)cc1[C@H](C)N[C@@H](C)c1cncc(C)c1 ZINC000184285075 262014925 /nfs/dbraw/zinc/01/49/25/262014925.db2.gz QNNCWEHSUWOHCJ-STQMWFEESA-N 0 1 288.366 3.950 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2cncc(C)c2)cc1F ZINC000184348796 262017437 /nfs/dbraw/zinc/01/74/37/262017437.db2.gz GPCTZJKZDBZNRQ-CYBMUJFWSA-N 0 1 288.366 3.779 20 0 CHADMN Cc1cnc([C@H](C)NCCCOc2ccc(F)cc2)s1 ZINC000184975669 262035787 /nfs/dbraw/zinc/03/57/87/262035787.db2.gz JKSIWRZYALWCFN-LBPRGKRZSA-N 0 1 294.395 3.710 20 0 CHADMN CCC[C@H]([NH2+]Cc1csc(C2CCCCC2)n1)C(=O)[O-] ZINC000185055337 262039329 /nfs/dbraw/zinc/03/93/29/262039329.db2.gz HNHRKOAAROVYKO-ZDUSSCGKSA-N 0 1 296.436 3.534 20 0 CHADMN C[C@@H]1CCCc2ccccc2[C@H]1NCc1cscn1 ZINC000185086611 262040179 /nfs/dbraw/zinc/04/01/79/262040179.db2.gz JCKHVQQWTHBNLO-WBMJQRKESA-N 0 1 272.417 3.946 20 0 CHADMN CCCOc1ncccc1CN[C@@H](CCC)c1cccnc1 ZINC000185143028 262043704 /nfs/dbraw/zinc/04/37/04/262043704.db2.gz CSVJDRMOWFWCTR-KRWDZBQOSA-N 0 1 299.418 3.896 20 0 CHADMN CSc1ccc(CNCc2cnc(C)s2)s1 ZINC000309886677 262046351 /nfs/dbraw/zinc/04/63/51/262046351.db2.gz YRXKPRLBZXFPQN-UHFFFAOYSA-N 0 1 270.448 3.525 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2CCC[C@H]1C)c1cnccn1 ZINC000185284655 262048138 /nfs/dbraw/zinc/04/81/38/262048138.db2.gz VYSVOUKJSALGIX-GLJUWKHASA-N 0 1 281.403 3.841 20 0 CHADMN CC[C@H](NCCOC(C)C)c1nc(C(F)(F)F)cs1 ZINC000185932820 262072582 /nfs/dbraw/zinc/07/25/82/262072582.db2.gz ZRKOJKGSLXAHCZ-VIFPVBQESA-N 0 1 296.358 3.628 20 0 CHADMN C[C@@H](c1ccccc1)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000186048035 262077524 /nfs/dbraw/zinc/07/75/24/262077524.db2.gz VFVVKMCDAKEUDP-NSHDSACASA-N 0 1 285.309 3.591 20 0 CHADMN COc1ccsc1[C@H](C)NCc1ccc(C)cc1OC ZINC000186193430 262083705 /nfs/dbraw/zinc/08/37/05/262083705.db2.gz MQAPPZSNQOBBRO-LBPRGKRZSA-N 0 1 291.416 3.925 20 0 CHADMN C[C@H](NCCOCc1ccccc1)c1ccc(F)cc1F ZINC000390056854 262094636 /nfs/dbraw/zinc/09/46/36/262094636.db2.gz OPMJFWHRZLTPLA-ZDUSSCGKSA-N 0 1 291.341 3.832 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H](CCO)c2ccco2)c1C ZINC000186510842 262096409 /nfs/dbraw/zinc/09/64/09/262096409.db2.gz SJPATQWNOKMBKS-HOCLYGCPSA-N 0 1 273.376 3.671 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@@H](CCO)c2ccco2)c1 ZINC000186524991 262097033 /nfs/dbraw/zinc/09/70/33/262097033.db2.gz HTZIENKQWPPDBC-HOCLYGCPSA-N 0 1 273.376 3.671 20 0 CHADMN CCOC(C)(C)CNCc1csc(-c2cccs2)n1 ZINC000186539399 262097807 /nfs/dbraw/zinc/09/78/07/262097807.db2.gz WLWTYWMQGICFPF-UHFFFAOYSA-N 0 1 296.461 3.776 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](CCO)c2ccco2)cc1C ZINC000186547768 262097845 /nfs/dbraw/zinc/09/78/45/262097845.db2.gz XHXAQGSQGWJONO-GOEBONIOSA-N 0 1 273.376 3.671 20 0 CHADMN CC(C)[C@@H]1CN(Cc2cc3ccccc3s2)CCO1 ZINC000497215361 262109757 /nfs/dbraw/zinc/10/97/57/262109757.db2.gz PVNSGZCIUDAJNO-HNNXBMFYSA-N 0 1 275.417 3.758 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2CCCC(C)(C)C2)c(C)c1 ZINC000497420740 262158552 /nfs/dbraw/zinc/15/85/52/262158552.db2.gz YHKYNPBKAFZVMQ-HNNXBMFYSA-N 0 1 288.435 3.752 20 0 CHADMN CC(C)[C@@H](NCc1cc(F)cc(F)c1)c1ccc(F)cn1 ZINC000497521509 262172265 /nfs/dbraw/zinc/17/22/65/262172265.db2.gz LBQSGZHXDLVKPX-MRXNPFEDSA-N 0 1 294.320 3.986 20 0 CHADMN COc1ccccc1CNc1ccnc(C)c1Cl ZINC000310932592 262183175 /nfs/dbraw/zinc/18/31/75/262183175.db2.gz UZQZALXVRXLDHC-UHFFFAOYSA-N 0 1 262.740 3.664 20 0 CHADMN CC[C@H]1C[C@@]1(NCc1cccnc1OC)c1cccc(C)c1 ZINC000502590904 262222514 /nfs/dbraw/zinc/22/25/14/262222514.db2.gz IMUJCXYMPLHNLP-LPHOPBHVSA-N 0 1 296.414 3.814 20 0 CHADMN CCCOc1ccc(CNCc2ccccc2F)cc1 ZINC000020091172 262228396 /nfs/dbraw/zinc/22/83/96/262228396.db2.gz ZPBVFKQKUOTTIQ-UHFFFAOYSA-N 0 1 273.351 3.904 20 0 CHADMN CC(C)(C)[C@@H]1CCCN1Cc1noc(-c2ccccc2)n1 ZINC000525785690 262235459 /nfs/dbraw/zinc/23/54/59/262235459.db2.gz GJMXRBIBPIUYKF-AWEZNQCLSA-N 0 1 285.391 3.747 20 0 CHADMN NC1(c2nc(-c3cccc4ccccc43)no2)CCCC1 ZINC000054438461 262269430 /nfs/dbraw/zinc/26/94/30/262269430.db2.gz VBWVZOUZDQRVKB-UHFFFAOYSA-N 0 1 279.343 3.618 20 0 CHADMN Cc1ccccc1Cc1noc(CN[C@H](C)C2CCCC2)n1 ZINC000184652794 262290190 /nfs/dbraw/zinc/29/01/90/262290190.db2.gz ZMHCGOXNHMJUCA-CQSZACIVSA-N 0 1 299.418 3.637 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)cc1)c1cncc(F)c1 ZINC000221766567 262295741 /nfs/dbraw/zinc/29/57/41/262295741.db2.gz HUFJLBQRQHVQMS-WDEREUQCSA-N 0 1 262.303 3.772 20 0 CHADMN Cc1nc(CCN[C@@H](C)c2c(F)cccc2F)cs1 ZINC000221816588 262299992 /nfs/dbraw/zinc/29/99/92/262299992.db2.gz OKPSPTCLDNKZQD-VIFPVBQESA-N 0 1 282.359 3.623 20 0 CHADMN CSC[C@@H](C)N[C@H](C)c1csc(C(C)C)n1 ZINC000186347091 262313852 /nfs/dbraw/zinc/31/38/52/262313852.db2.gz NPTJEMYOSCOFBB-NXEZZACHSA-N 0 1 258.456 3.669 20 0 CHADMN Cc1cccc2c(-c3nc(C4(N)CCCCC4)no3)coc21 ZINC000521424923 262326715 /nfs/dbraw/zinc/32/67/15/262326715.db2.gz RFCJHLFHYZPMEZ-UHFFFAOYSA-N 0 1 297.358 3.909 20 0 CHADMN c1csc(-c2noc(CN3CC[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000521431393 262332917 /nfs/dbraw/zinc/33/29/17/262332917.db2.gz SVMMWMAPIDVHNM-RYUDHWBXSA-N 0 1 289.404 3.563 20 0 CHADMN Cc1oc2ccccc2c1CNCc1ncccc1C ZINC000121284068 262336133 /nfs/dbraw/zinc/33/61/33/262336133.db2.gz UPFNCUFXJAPDEE-UHFFFAOYSA-N 0 1 266.344 3.734 20 0 CHADMN COc1ccc(CNCc2ccsc2)cc1OC(F)F ZINC000057394780 262348950 /nfs/dbraw/zinc/34/89/50/262348950.db2.gz RTQMCOKGWNYGRA-UHFFFAOYSA-N 0 1 299.342 3.648 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H]1CCCc2ccccc21 ZINC000187100590 262379942 /nfs/dbraw/zinc/37/99/42/262379942.db2.gz KXAQLDVQNZDHLR-DYVFJYSZSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccccc2OC(F)F)ccn1 ZINC000391186799 262387530 /nfs/dbraw/zinc/38/75/30/262387530.db2.gz DSKZMTYANLUAMH-GFCCVEGCSA-N 0 1 292.329 3.842 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cnc3ccsc3c2)ccn1 ZINC000391202158 262388913 /nfs/dbraw/zinc/38/89/13/262388913.db2.gz ROAIIZKPVUWVFC-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN CCCN(CCc1cccs1)[C@H](C)c1nnc(CC)o1 ZINC000411558729 262699269 /nfs/dbraw/zinc/69/92/69/262699269.db2.gz WPIFPRMOAYDHEO-GFCCVEGCSA-N 0 1 293.436 3.709 20 0 CHADMN C[C@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ncc[nH]1 ZINC000138909715 262701529 /nfs/dbraw/zinc/70/15/29/262701529.db2.gz QZKGVNXEYBQZNO-IINYFYTJSA-N 0 1 275.783 3.865 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1cc3n(n1)CCC3)CCC2 ZINC000414119854 262812589 /nfs/dbraw/zinc/81/25/89/262812589.db2.gz DTQZQCVCASMDNB-KBXCAEBGSA-N 0 1 295.430 3.866 20 0 CHADMN COc1ccc([C@H](C)NCc2cnc(C)o2)c2ccccc12 ZINC000414189934 262816296 /nfs/dbraw/zinc/81/62/96/262816296.db2.gz RBQUADKISWWFHO-LBPRGKRZSA-N 0 1 296.370 3.996 20 0 CHADMN CCC[C@H](NCc1nccc(C(F)(F)F)n1)C(C)(C)C ZINC000414255819 262830927 /nfs/dbraw/zinc/83/09/27/262830927.db2.gz VOZJGUYZSVHDTM-JTQLQIEISA-N 0 1 289.345 3.800 20 0 CHADMN C[C@H](CCC1CCCC1)N[C@H](C)c1csnn1 ZINC000414296176 262838223 /nfs/dbraw/zinc/83/82/23/262838223.db2.gz GAAMNDCGGSEEKX-GHMZBOCLSA-N 0 1 253.415 3.548 20 0 CHADMN Fc1cccc(Cl)c1CCCN1CCO[C@H]2CCC[C@@H]21 ZINC000437153254 263001410 /nfs/dbraw/zinc/00/14/10/263001410.db2.gz VTRVNCKPPVSYJH-HOTGVXAUSA-N 0 1 297.801 3.665 20 0 CHADMN COCC[C@@H](NCc1cc(C)ccc1C)c1ccco1 ZINC000272537372 263006067 /nfs/dbraw/zinc/00/60/67/263006067.db2.gz KUEPGAKMYZKCAM-MRXNPFEDSA-N 0 1 273.376 3.764 20 0 CHADMN COCC[C@@H](NCc1sccc1C)c1ccco1 ZINC000272569166 263006695 /nfs/dbraw/zinc/00/66/95/263006695.db2.gz OHQWOLRMVPEMDA-GFCCVEGCSA-N 0 1 265.378 3.517 20 0 CHADMN COCC[C@H](NCc1ccc(Cl)cc1)c1ccco1 ZINC000272578967 263007043 /nfs/dbraw/zinc/00/70/43/263007043.db2.gz PMXQZBYCQHOAKF-AWEZNQCLSA-N 0 1 279.767 3.800 20 0 CHADMN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(C)C ZINC000274284186 263022712 /nfs/dbraw/zinc/02/27/12/263022712.db2.gz KTBJZGPBYVZSSP-UHFFFAOYSA-N 0 1 289.206 3.662 20 0 CHADMN CC(C)C[C@@H](N)c1noc(CC/C=C/c2ccccc2)n1 ZINC000414613715 263009408 /nfs/dbraw/zinc/00/94/08/263009408.db2.gz GCBIXXJPJKTVME-WCLQSUPFSA-N 0 1 285.391 3.762 20 0 CHADMN CC[C@H](CC(F)(F)F)c1nc([C@H](N)CC(C)C)no1 ZINC000414610867 263009511 /nfs/dbraw/zinc/00/95/11/263009511.db2.gz BMSJKCKMNCAOIP-RKDXNWHRSA-N 0 1 279.306 3.562 20 0 CHADMN CC[C@@H]1CCCC[C@H]1OCc1nc([C@H](N)CC(C)C)no1 ZINC000414611220 263009624 /nfs/dbraw/zinc/00/96/24/263009624.db2.gz BZZKVFXYLAIJBV-MGPQQGTHSA-N 0 1 295.427 3.601 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H]2CCCCC2(C)C)n1 ZINC000414613743 263009690 /nfs/dbraw/zinc/00/96/90/263009690.db2.gz GDVQFBYSDUIEAJ-NWDGAFQWSA-N 0 1 265.401 3.799 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H]2CCCc3sccc32)n1 ZINC000414614907 263010179 /nfs/dbraw/zinc/01/01/79/263010179.db2.gz HRYCCWXAZBLPKJ-RYUDHWBXSA-N 0 1 291.420 3.645 20 0 CHADMN CCC[C@H](c1nc([C@H](N)CC(C)C)no1)C(C)C ZINC000414618550 263011990 /nfs/dbraw/zinc/01/19/90/263011990.db2.gz JVVIZEYLYXAKKE-NWDGAFQWSA-N 0 1 253.390 3.655 20 0 CHADMN Cc1ccsc1[C@@H]1C[C@@H]1c1nc([C@H](N)CC(C)C)no1 ZINC000414619203 263012858 /nfs/dbraw/zinc/01/28/58/263012858.db2.gz NQMHOQJFFUXHBI-GRYCIOLGSA-N 0 1 291.420 3.757 20 0 CHADMN CC(C)[C@@H](CCc1ccccc1)c1nc(C2(N)CCC2)no1 ZINC000414623363 263014364 /nfs/dbraw/zinc/01/43/64/263014364.db2.gz DNMIMRLTVOFQFD-OAHLLOKOSA-N 0 1 299.418 3.780 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2ccc3c(c2)CCC=C3)n1 ZINC000414622732 263014861 /nfs/dbraw/zinc/01/48/61/263014861.db2.gz SQIJBVCTTIBGQW-OAHLLOKOSA-N 0 1 283.375 3.742 20 0 CHADMN NC1(c2noc([C@@H]3CCC[C@@H]4CCCC[C@@H]34)n2)CCCC1 ZINC000414626581 263016486 /nfs/dbraw/zinc/01/64/86/263016486.db2.gz JYOHATBUEFXYKI-BFHYXJOUSA-N 0 1 289.423 3.872 20 0 CHADMN Cc1ccc(-c2nc(C3(N)CCCC3)no2)c(Cl)c1C ZINC000414628060 263016685 /nfs/dbraw/zinc/01/66/85/263016685.db2.gz NIEHWKIYLHLNBE-UHFFFAOYSA-N 0 1 291.782 3.735 20 0 CHADMN NC1(c2noc([C@@H]3CCC[C@H]3c3ccccc3)n2)CCCC1 ZINC000414628751 263016960 /nfs/dbraw/zinc/01/69/60/263016960.db2.gz OTWMCPPIBPVSCN-LSDHHAIUSA-N 0 1 297.402 3.849 20 0 CHADMN C[C@@H](CCCc1ccccc1)c1nc(C2(N)CCC2)no1 ZINC000414630368 263017286 /nfs/dbraw/zinc/01/72/86/263017286.db2.gz TXTRGCTXPCMHSN-ZDUSSCGKSA-N 0 1 285.391 3.534 20 0 CHADMN C[C@@H]1CCC[C@@]1(C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000451983528 263018554 /nfs/dbraw/zinc/01/85/54/263018554.db2.gz UYGJAJDUCTYXAS-XLKFXECMSA-N 0 1 285.746 3.950 20 0 CHADMN CC[C@H](C)[N@H+](CC(=O)[O-])C[C@@H](C)CC1CCCCC1 ZINC000414678641 263031281 /nfs/dbraw/zinc/03/12/81/263031281.db2.gz JMXQVUPZOAYHOO-KBPBESRZSA-N 0 1 269.429 3.778 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1c(C)cc(Cl)cc1C ZINC000414688265 263032664 /nfs/dbraw/zinc/03/26/64/263032664.db2.gz YDEOONBJBZAGRK-GFCCVEGCSA-N 0 1 283.799 3.642 20 0 CHADMN Fc1ccccc1CN[C@H](c1cccnc1)C1CCC1 ZINC000280408660 263061137 /nfs/dbraw/zinc/06/11/37/263061137.db2.gz YIAFZHAPBURNNK-KRWDZBQOSA-N 0 1 270.351 3.852 20 0 CHADMN Cc1nc(C)c([C@H](C)NCc2cc(C)cc(Cl)n2)s1 ZINC000282482917 263077021 /nfs/dbraw/zinc/07/70/21/263077021.db2.gz HDVILBQVPLOMBZ-VIFPVBQESA-N 0 1 295.839 3.968 20 0 CHADMN COc1ccccc1[C@H]1CCC[C@@H](C)N1Cc1cnn(C)c1 ZINC000285389332 263092736 /nfs/dbraw/zinc/09/27/36/263092736.db2.gz HIGGJZGZDLFNKW-RHSMWYFYSA-N 0 1 299.418 3.544 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)COc2c(C)cccc2C)no1 ZINC000289562687 263110929 /nfs/dbraw/zinc/11/09/29/263110929.db2.gz CWAMYASKCFQLPY-ZFWWWQNUSA-N 0 1 288.391 3.718 20 0 CHADMN CCN(C[C@H](C)OC)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000291117934 263120288 /nfs/dbraw/zinc/12/02/88/263120288.db2.gz AOYMROYZJYXUFN-UONOGXRCSA-N 0 1 288.391 3.759 20 0 CHADMN C[C@H](NC[C@H]1CCCCC1(F)F)c1c(F)cncc1F ZINC000295360860 263176588 /nfs/dbraw/zinc/17/65/88/263176588.db2.gz RLROKNZOHFSYKM-VHSXEESVSA-N 0 1 290.304 3.836 20 0 CHADMN CCC[C@@H](NCc1ccnc(N)c1)c1ccc(F)cc1F ZINC000298897375 263228120 /nfs/dbraw/zinc/22/81/20/263228120.db2.gz MDSMALFNUWITKM-OAHLLOKOSA-N 0 1 291.345 3.573 20 0 CHADMN CCc1ncc(CN[C@@H](CC)c2cccc(C)c2)o1 ZINC000453395240 263261999 /nfs/dbraw/zinc/26/19/99/263261999.db2.gz UBZFSWXNTCOUQD-HNNXBMFYSA-N 0 1 258.365 3.786 20 0 CHADMN Cc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccccc3)C[C@H]2C)n1 ZINC000467552701 263266275 /nfs/dbraw/zinc/26/62/75/263266275.db2.gz GWVFQGIPLMJZJD-NVXWUHKLSA-N 0 1 296.414 3.864 20 0 CHADMN COc1ccc([C@@H](N[C@H](C)c2nccnc2C)C2CC2)cc1 ZINC000187717018 263267406 /nfs/dbraw/zinc/26/74/06/263267406.db2.gz XPTGZZIDUZRALY-ACJLOTCBSA-N 0 1 297.402 3.596 20 0 CHADMN c1cn(-c2ccccc2)nc1CN1CCC[C@H]2CCC[C@H]21 ZINC000342624220 263455567 /nfs/dbraw/zinc/45/55/67/263455567.db2.gz QYSJOWXGNDOBKI-CRAIPNDOSA-N 0 1 281.403 3.637 20 0 CHADMN CCc1ncc(CN2CCC=C(c3ccccc3)C2)s1 ZINC000342822425 263526410 /nfs/dbraw/zinc/52/64/10/263526410.db2.gz RQTSOFMQEAXCDQ-UHFFFAOYSA-N 0 1 284.428 3.995 20 0 CHADMN FC1(c2cccnc2)CCN(Cc2ccsc2)CC1 ZINC000334284894 263553601 /nfs/dbraw/zinc/55/36/01/263553601.db2.gz BLRJSTDGZBMBMD-UHFFFAOYSA-N 0 1 276.380 3.604 20 0 CHADMN CC[C@H](CSc1nc(-c2ccc(Cl)cc2)n[nH]1)OC ZINC000416888549 263760457 /nfs/dbraw/zinc/76/04/57/263760457.db2.gz JDUVMJRMDCJKHS-LLVKDONJSA-N 0 1 297.811 3.642 20 0 CHADMN CCC[C@@H](NC(=O)c1[nH]nc(C)c1C)C1CCCCC1 ZINC000330814999 264045355 /nfs/dbraw/zinc/04/53/55/264045355.db2.gz QIMQUTSCZAHERN-CQSZACIVSA-N 0 1 277.412 3.505 20 0 CHADMN COCc1ccccc1/C=C(/C)CN1CC(CC(F)F)C1 ZINC000425364365 264137624 /nfs/dbraw/zinc/13/76/24/264137624.db2.gz FTFWBGWZPSCCCW-QPEQYQDCSA-N 0 1 295.373 3.823 20 0 CHADMN CC[C@H]1CC[C@H](C(=O)Nc2cc(C(C)=O)ccc2O)CC1 ZINC000331255518 264182573 /nfs/dbraw/zinc/18/25/73/264182573.db2.gz VLVLJUVEKOKIGN-JOCQHMNTSA-N 0 1 289.375 3.750 20 0 CHADMN Cc1cc(CN2CC(C)(C)C[C@H]2c2ccccc2)no1 ZINC000425371401 264201804 /nfs/dbraw/zinc/20/18/04/264201804.db2.gz LFERGCGABBDTGO-INIZCTEOSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1nc2ccc(CN3CC(CC(F)F)C3)cc2s1 ZINC000425365276 264210795 /nfs/dbraw/zinc/21/07/95/264210795.db2.gz JTNAIAKHVCNXSH-UHFFFAOYSA-N 0 1 282.359 3.692 20 0 CHADMN C[C@H]1CCSCCN1Cc1sccc1Cl ZINC000425958751 264226743 /nfs/dbraw/zinc/22/67/43/264226743.db2.gz OVOHYFHTDJABCB-VIFPVBQESA-N 0 1 261.843 3.729 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000424856270 264232411 /nfs/dbraw/zinc/23/24/11/264232411.db2.gz USHFUKRHFIJTGB-BDAKNGLRSA-N 0 1 285.746 3.950 20 0 CHADMN Fc1cccc(F)c1CN(C[C@H]1CCSC1)C1CC1 ZINC000425983673 264264932 /nfs/dbraw/zinc/26/49/32/264264932.db2.gz DGVOFTDJVLAUQB-LLVKDONJSA-N 0 1 283.387 3.682 20 0 CHADMN COc1cnccc1[C@H](C)NCc1coc2ccccc12 ZINC000189544606 264306672 /nfs/dbraw/zinc/30/66/72/264306672.db2.gz LXPPWKNZNCDILG-LBPRGKRZSA-N 0 1 282.343 3.687 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@H]1NCc1nc(C(F)F)no1 ZINC000425444659 264324366 /nfs/dbraw/zinc/32/43/66/264324366.db2.gz MUVVWAYVGYOECM-WDEREUQCSA-N 0 1 287.354 3.702 20 0 CHADMN CC[C@@H](C)CN[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000180241746 264394486 /nfs/dbraw/zinc/39/44/86/264394486.db2.gz WAHQVPXVAJZOGE-NEPJUHHUSA-N 0 1 265.401 3.814 20 0 CHADMN CC[C@@H](C)CN[C@H](C)c1nc(C2CCCCC2)no1 ZINC000180241782 264395097 /nfs/dbraw/zinc/39/50/97/264395097.db2.gz WAHQVPXVAJZOGE-VXGBXAGGSA-N 0 1 265.401 3.814 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000181550840 264452750 /nfs/dbraw/zinc/45/27/50/264452750.db2.gz PJWRFUBSPFJRPX-HNNXBMFYSA-N 0 1 267.413 3.676 20 0 CHADMN COC(=O)C(C)(C)CCN(C)[C@H](C)c1cc(F)ccc1F ZINC000525976794 265042846 /nfs/dbraw/zinc/04/28/46/265042846.db2.gz JETMCXAQUJVLGO-LLVKDONJSA-N 0 1 299.361 3.547 20 0 CHADMN CC(C)[C@H](C)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000518833584 265071803 /nfs/dbraw/zinc/07/18/03/265071803.db2.gz FUSPVMYIHUEFLD-NSHDSACASA-N 0 1 293.798 3.866 20 0 CHADMN CC(F)(F)c1ccc(-c2nc(C3(N)CCCC3)no2)cc1 ZINC000334861729 265076519 /nfs/dbraw/zinc/07/65/19/265076519.db2.gz GEHXOQJWARTIOA-UHFFFAOYSA-N 0 1 293.317 3.576 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCN1Cc1cccc(Cl)c1Cl ZINC000093483243 265182442 /nfs/dbraw/zinc/18/24/42/265182442.db2.gz NKAUFBBXTZTEEL-PWSUYJOCSA-N 0 1 288.218 3.729 20 0 CHADMN Cc1cc(CN2Cc3ccccc3O[C@@H](C)C2)cc(C)c1O ZINC000012164354 265321490 /nfs/dbraw/zinc/32/14/90/265321490.db2.gz RDGPQTIMVPUABO-HNNXBMFYSA-N 0 1 297.398 3.792 20 0 CHADMN Cc1noc(C)c1CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000096465884 265367772 /nfs/dbraw/zinc/36/77/72/265367772.db2.gz JXJJTESSBFABIT-VIFPVBQESA-N 0 1 296.317 3.744 20 0 CHADMN C[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2)CCO1 ZINC000096999566 265397162 /nfs/dbraw/zinc/39/71/62/265397162.db2.gz OSQJLJQFWJXZND-OAHLLOKOSA-N 0 1 267.372 3.574 20 0 CHADMN CC(C)Oc1cccc([C@H](C)N[C@@H](C)c2ccnn2C)c1 ZINC000192248377 265896207 /nfs/dbraw/zinc/89/62/07/265896207.db2.gz LOKZQTQKGHKBJY-KBPBESRZSA-N 0 1 287.407 3.619 20 0 CHADMN C[C@H](c1ccccc1F)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000352440276 265961192 /nfs/dbraw/zinc/96/11/92/265961192.db2.gz MXKHODAOPYCHHS-XYPHTWIQSA-N 0 1 289.394 3.920 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1ccoc1C ZINC000320921198 266007684 /nfs/dbraw/zinc/00/76/84/266007684.db2.gz KEZJOJYFSPBEHM-LBPRGKRZSA-N 0 1 259.349 3.756 20 0 CHADMN Cc1ccnc([C@@H](C)NCc2cccc3cccnc32)c1 ZINC000353503332 266039341 /nfs/dbraw/zinc/03/93/41/266039341.db2.gz OLVVNXKAMHEPHV-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN COc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)cc1F ZINC000356288676 266088917 /nfs/dbraw/zinc/08/89/17/266088917.db2.gz WJEQIYNADRSWQB-MRXNPFEDSA-N 0 1 275.367 3.599 20 0 CHADMN CO[C@@H]1CCN(Cc2cscc2C(F)(F)F)[C@@H](C)C1 ZINC000356299935 266091977 /nfs/dbraw/zinc/09/19/77/266091977.db2.gz IEZRTLQWPVCTIE-GXSJLCMTSA-N 0 1 293.354 3.766 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1ccc(F)c(F)c1 ZINC000356318114 266095168 /nfs/dbraw/zinc/09/51/68/266095168.db2.gz XLFNELSPWVTURF-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN Oc1cc(CN2CCCC23CCC3)cc(C(F)(F)F)c1 ZINC000356412615 266110249 /nfs/dbraw/zinc/11/02/49/266110249.db2.gz ZALOTHWLDFNXOF-UHFFFAOYSA-N 0 1 285.309 3.930 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1cccc(COC)c1 ZINC000356865104 266197688 /nfs/dbraw/zinc/19/76/88/266197688.db2.gz LBOZKXBUNWYDRL-CQSZACIVSA-N 0 1 284.403 3.641 20 0 CHADMN C[C@H]1COCCN(Cc2ccc(Oc3ccccc3)o2)C1 ZINC000356972494 266221045 /nfs/dbraw/zinc/22/10/45/266221045.db2.gz UHSJTTWPGPLJKD-CQSZACIVSA-N 0 1 287.359 3.540 20 0 CHADMN Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000356999178 266229061 /nfs/dbraw/zinc/22/90/61/266229061.db2.gz OZSVZWJGKKADTL-QXPKXGMISA-N 0 1 294.398 3.773 20 0 CHADMN CCc1nc(CN2CC[C@@H](C)C3(CCC3)C2)cs1 ZINC000357028323 266234898 /nfs/dbraw/zinc/23/48/98/266234898.db2.gz UMORXTSFZFXRGT-GFCCVEGCSA-N 0 1 264.438 3.718 20 0 CHADMN C[C@@H]1CCN(CC(=O)c2c[nH]c3ccccc23)CC12CCC2 ZINC000357026291 266235548 /nfs/dbraw/zinc/23/55/48/266235548.db2.gz QMPHKYJFIYMAOS-CQSZACIVSA-N 0 1 296.414 3.863 20 0 CHADMN CCc1nc(CN2CC[C@H](C)C3(CCC3)C2)cs1 ZINC000357028324 266235654 /nfs/dbraw/zinc/23/56/54/266235654.db2.gz UMORXTSFZFXRGT-LBPRGKRZSA-N 0 1 264.438 3.718 20 0 CHADMN COc1ccc(CN2CC=C(c3cccc(C)c3)CC2)cn1 ZINC000357031843 266236579 /nfs/dbraw/zinc/23/65/79/266236579.db2.gz ZRCJZLYYCRNPJD-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN C[C@H](N(C)Cc1ccn(C2CCCC2)n1)C1(C)CC1 ZINC000357277181 266270873 /nfs/dbraw/zinc/27/08/73/266270873.db2.gz YQOKNZZJCOFNCM-ZDUSSCGKSA-N 0 1 261.413 3.619 20 0 CHADMN CCc1noc([C@H](C)N2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000114494724 266307972 /nfs/dbraw/zinc/30/79/72/266307972.db2.gz GXKSTVBULJTCAU-BBRMVZONSA-N 0 1 275.396 3.515 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1csc(C2CC2)n1 ZINC000357556338 266323655 /nfs/dbraw/zinc/32/36/55/266323655.db2.gz VTFAOCRYFIOZTF-ZWNOBZJWSA-N 0 1 250.411 3.783 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN(CCOCC2CC2)C2CC2)o1 ZINC000357603624 266334032 /nfs/dbraw/zinc/33/40/32/266334032.db2.gz JHXXIUXXFWTDFN-CXAGYDPISA-N 0 1 289.419 3.794 20 0 CHADMN Cc1ccc(-c2cc(-c3nc([C@H](C)C4CC4)no3)[nH]n2)cc1 ZINC000357604405 266334231 /nfs/dbraw/zinc/33/42/31/266334231.db2.gz SJZXIFIIUVWJNL-LLVKDONJSA-N 0 1 294.358 3.949 20 0 CHADMN COc1ccc(CN[C@H]2CSc3ccccc32)cc1F ZINC000358004016 266396339 /nfs/dbraw/zinc/39/63/39/266396339.db2.gz JJALAAOOJVCUJS-AWEZNQCLSA-N 0 1 289.375 3.771 20 0 CHADMN Cc1nc([C@@H](C)NCCOc2c(C)cccc2C)cs1 ZINC000358020940 266398592 /nfs/dbraw/zinc/39/85/92/266398592.db2.gz NAZWJIBPVJOZRZ-CYBMUJFWSA-N 0 1 290.432 3.798 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1ccc(C)cn1)[C@H]2C ZINC000359302832 266561740 /nfs/dbraw/zinc/56/17/40/266561740.db2.gz UJIJZBUCJCFNIF-CABCVRRESA-N 0 1 296.414 3.906 20 0 CHADMN CN(Cc1nc(-c2ccccc2)c[nH]1)C[C@H]1CC=CCC1 ZINC000362314307 266959781 /nfs/dbraw/zinc/95/97/81/266959781.db2.gz YMYUOAHKDFAXSN-HNNXBMFYSA-N 0 1 281.403 3.865 20 0 CHADMN Cc1cc(C)c2c(c1)CN(Cc1ccc(C)nc1C)CC2 ZINC000362595565 267015618 /nfs/dbraw/zinc/01/56/18/267015618.db2.gz DZSJXYKNGADWAG-UHFFFAOYSA-N 0 1 280.415 3.874 20 0 CHADMN CCCC(C)(C)CC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000362805791 267048925 /nfs/dbraw/zinc/04/89/25/267048925.db2.gz BDISUXYJEGYION-AWEZNQCLSA-N 0 1 296.480 3.683 20 0 CHADMN Cc1nc(CNCCCOc2cccc(C)c2C)cs1 ZINC000362954661 267067017 /nfs/dbraw/zinc/06/70/17/267067017.db2.gz MLHKVHULLLWKCW-UHFFFAOYSA-N 0 1 290.432 3.627 20 0 CHADMN c1c[nH]c([C@@H](NCc2ccsc2)C2CCCCC2)n1 ZINC000367612837 267104794 /nfs/dbraw/zinc/10/47/94/267104794.db2.gz BIEAPBAEMHFFKY-AWEZNQCLSA-N 0 1 275.421 3.882 20 0 CHADMN CCc1nc(CN2CCCC[C@@H]2C(C)C)cs1 ZINC000117347968 267212061 /nfs/dbraw/zinc/21/20/61/267212061.db2.gz ZYJCBZRYMIYJDA-CYBMUJFWSA-N 0 1 252.427 3.716 20 0 CHADMN FC(F)n1c2ccccc2nc1CN1CCC[C@H]1C1CC1 ZINC000369828266 267271678 /nfs/dbraw/zinc/27/16/78/267271678.db2.gz DISCYABENBCNEQ-ZDUSSCGKSA-N 0 1 291.345 3.806 20 0 CHADMN Fc1ccc([C@H]2CCCN2Cc2ccncc2)cc1 ZINC000118888416 267275198 /nfs/dbraw/zinc/27/51/98/267275198.db2.gz CYCFOMLIZQUXNX-MRXNPFEDSA-N 0 1 256.324 3.558 20 0 CHADMN Cn1cccc1[C@H]1CCCCN1CCC(F)(F)F ZINC000370008231 267283190 /nfs/dbraw/zinc/28/31/90/267283190.db2.gz HSUCFRVMDLZEGL-GFCCVEGCSA-N 0 1 260.303 3.505 20 0 CHADMN CCCn1cc(CN2CCc3sccc3[C@H]2CC)cn1 ZINC000119128545 267302407 /nfs/dbraw/zinc/30/24/07/267302407.db2.gz ZUEFYZBUKYEJDV-OAHLLOKOSA-N 0 1 289.448 3.864 20 0 CHADMN C[C@H](c1ccco1)N(Cc1ccc2c(c1)CCO2)C1CC1 ZINC000119269021 267313824 /nfs/dbraw/zinc/31/38/24/267313824.db2.gz GKZQFMNAHIRXNG-CYBMUJFWSA-N 0 1 283.371 3.940 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CC[C@@](C)(c2ccccc2)C1 ZINC000370395682 267316608 /nfs/dbraw/zinc/31/66/08/267316608.db2.gz NLNPHWFSWQHERJ-FZKQIMNGSA-N 0 1 297.402 3.672 20 0 CHADMN c1csc(-c2cc(CN3CC[C@H](C4CC4)C3)no2)c1 ZINC000371307592 267386228 /nfs/dbraw/zinc/38/62/28/267386228.db2.gz GNOAUJWYPWOGGW-LBPRGKRZSA-N 0 1 274.389 3.635 20 0 CHADMN CCC(CC)C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000374827967 267815795 /nfs/dbraw/zinc/81/57/95/267815795.db2.gz OXZAQCBPNICBQC-UHFFFAOYSA-N 0 1 272.392 3.539 20 0 CHADMN Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000375843742 267912024 /nfs/dbraw/zinc/91/20/24/267912024.db2.gz BKWDZNOTZKNTST-PVUWLOKVSA-N 0 1 299.418 3.782 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1CCC2(CCC2)C1 ZINC000123330285 268036848 /nfs/dbraw/zinc/03/68/48/268036848.db2.gz DPQHUXPSPLMVPE-LLVKDONJSA-N 0 1 289.404 3.735 20 0 CHADMN CC(C)CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000042336624 328763606 /nfs/dbraw/zinc/76/36/06/328763606.db2.gz AIYMZOZLCVNRJL-QWHCGFSZSA-N 0 1 296.842 3.541 20 0 CHADMN CCc1cc(CN[C@H](C)c2cc(C)ccc2C)on1 ZINC000532516834 328785583 /nfs/dbraw/zinc/78/55/83/328785583.db2.gz ASBREIREBNCIRS-CYBMUJFWSA-N 0 1 258.365 3.705 20 0 CHADMN CC[C@H](NCc1cnn(C)c1C)c1cccc(Cl)c1F ZINC000161970529 327688377 /nfs/dbraw/zinc/68/83/77/327688377.db2.gz WFQWHKLXHMINFS-AWEZNQCLSA-N 0 1 295.789 3.762 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnn(C(C)C)c1)c1ccncc1 ZINC000163786321 327715373 /nfs/dbraw/zinc/71/53/73/327715373.db2.gz JGGNGPCHHSEBAF-BBRMVZONSA-N 0 1 272.396 3.661 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccc(Cl)nc2)c1 ZINC000179096471 327799144 /nfs/dbraw/zinc/79/91/44/327799144.db2.gz BATMJUIGPCYZAX-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN FCC1(NCc2cc(F)cc(C(F)(F)F)c2)CCC1 ZINC000582062041 327826917 /nfs/dbraw/zinc/82/69/17/327826917.db2.gz MNNVTGMJFKIUBD-UHFFFAOYSA-N 0 1 279.252 3.826 20 0 CHADMN CC[C@@H](NCCCC(=O)OC(C)(C)C)c1nc(C)cs1 ZINC000184399529 327827820 /nfs/dbraw/zinc/82/78/20/327827820.db2.gz BOHFZTAFHVCWSE-GFCCVEGCSA-N 0 1 298.452 3.614 20 0 CHADMN CCOCC(C)(C)CNCc1csc(C(C)(C)C)n1 ZINC000382330900 327863863 /nfs/dbraw/zinc/86/38/63/327863863.db2.gz UMRAIMJFJSSYSI-UHFFFAOYSA-N 0 1 284.469 3.593 20 0 CHADMN Cc1ncc(CNCc2ccc(OC(C)C)cc2)s1 ZINC000040437537 327906828 /nfs/dbraw/zinc/90/68/28/327906828.db2.gz JBMZFVQWDZQVDT-UHFFFAOYSA-N 0 1 276.405 3.529 20 0 CHADMN c1cn2cc(CNCc3cccc4ccccc43)nc2s1 ZINC000057624981 327930458 /nfs/dbraw/zinc/93/04/58/327930458.db2.gz ICLDELGTULAUGC-UHFFFAOYSA-N 0 1 293.395 3.839 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H]2CCCCC2(F)F)cs1 ZINC000390866893 327932329 /nfs/dbraw/zinc/93/23/29/327932329.db2.gz NLGOYQOZCMSKDP-ONGXEEELSA-N 0 1 274.380 3.928 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H](C)c1ccccc1C ZINC000187073874 327942530 /nfs/dbraw/zinc/94/25/30/327942530.db2.gz FHGIGAPLBMTCNN-ZIAGYGMSSA-N 0 1 270.376 3.810 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@H](c1ccccc1F)[C@@H](C)O ZINC000563264194 328003792 /nfs/dbraw/zinc/00/37/92/328003792.db2.gz OTGFRJUJQDTXHU-IYOUNJFTSA-N 0 1 287.378 3.907 20 0 CHADMN Cc1c(C)c(C)c(C[N@H+]2CCCC[C@@H]2C(=O)[O-])c(C)c1C ZINC000563274032 328006061 /nfs/dbraw/zinc/00/60/61/328006061.db2.gz FGDJGCXWUXSEAT-QGZVFWFLSA-N 0 1 289.419 3.668 20 0 CHADMN Cc1cc([C@@H](C)[N@@H+](C)CC2CCCCC2)oc1C(=O)[O-] ZINC000563277980 328006523 /nfs/dbraw/zinc/00/65/23/328006523.db2.gz MKMKZXGPUXFRLK-GFCCVEGCSA-N 0 1 279.380 3.859 20 0 CHADMN CC(C)C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000563278054 328006691 /nfs/dbraw/zinc/00/66/91/328006691.db2.gz DZVORESARQKTLI-SWLSCSKDSA-N 0 1 295.810 3.834 20 0 CHADMN CCC[N@H+](Cc1cc(C(=O)[O-])ccc1Cl)CC1CC1 ZINC000563276684 328006826 /nfs/dbraw/zinc/00/68/26/328006826.db2.gz BKLSIOUVYDAHGW-UHFFFAOYSA-N 0 1 281.783 3.660 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC3(CCCCC3)C2)o1 ZINC000563279310 328007115 /nfs/dbraw/zinc/00/71/15/328007115.db2.gz RKALQJKMZSCVSA-UHFFFAOYSA-N 0 1 277.364 3.524 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)cs1 ZINC000563280290 328007264 /nfs/dbraw/zinc/00/72/64/328007264.db2.gz OOLITGMVOUASFC-INIZCTEOSA-N 0 1 291.416 3.769 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H]2c2cccs2)oc1C(=O)[O-] ZINC000563279737 328007274 /nfs/dbraw/zinc/00/72/74/328007274.db2.gz WMKYFMGZPMPGDY-LBPRGKRZSA-N 0 1 291.372 3.685 20 0 CHADMN CC(C)[C@H]1CCCC[N@H+]1CC[C@H](C(=O)[O-])c1ccccc1 ZINC000563280642 328007592 /nfs/dbraw/zinc/00/75/92/328007592.db2.gz ZBNABYUCEPECHM-DLBZAZTESA-N 0 1 289.419 3.755 20 0 CHADMN C[N@@H+](CCCCCC(=O)[O-])Cc1cc2ccccc2o1 ZINC000563282599 328007689 /nfs/dbraw/zinc/00/76/89/328007689.db2.gz IWYOEMFRZWUHRR-UHFFFAOYSA-N 0 1 275.348 3.510 20 0 CHADMN CCc1ccc(CN[C@H]2CCc3cc(C)ccc32)o1 ZINC000531611908 328019036 /nfs/dbraw/zinc/01/90/36/328019036.db2.gz QFWCIWYKYCAJCZ-KRWDZBQOSA-N 0 1 255.361 3.928 20 0 CHADMN CCc1cc(CN[C@@H](C)c2ccc(C)c(C)c2)on1 ZINC000531725922 328023717 /nfs/dbraw/zinc/02/37/17/328023717.db2.gz KNQXNILDBYNHNC-ZDUSSCGKSA-N 0 1 258.365 3.705 20 0 CHADMN Cc1ccccc1[C@@H](CO)N[C@H]1CC(C)(C)Cc2occc21 ZINC000531737047 328029080 /nfs/dbraw/zinc/02/90/80/328029080.db2.gz BCKRUSANCIBRJP-DLBZAZTESA-N 0 1 299.414 3.925 20 0 CHADMN CO[C@H](C)C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000541069883 328045162 /nfs/dbraw/zinc/04/51/62/328045162.db2.gz AAPCYZSVBWPSJP-GFCCVEGCSA-N 0 1 299.336 3.829 20 0 CHADMN CO[C@@H](C)C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000541069884 328045319 /nfs/dbraw/zinc/04/53/19/328045319.db2.gz AAPCYZSVBWPSJP-LBPRGKRZSA-N 0 1 299.336 3.829 20 0 CHADMN Cn1ccc(CN2CCC[C@H]2c2cccc3ccccc32)n1 ZINC000534349068 328047731 /nfs/dbraw/zinc/04/77/31/328047731.db2.gz DJXZNQQVHUMXHA-IBGZPJMESA-N 0 1 291.398 3.910 20 0 CHADMN CCCCS[C@@H](C)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000563331758 328055663 /nfs/dbraw/zinc/05/56/63/328055663.db2.gz LKIAJMPTXWRVQC-NSHDSACASA-N 0 1 291.420 3.732 20 0 CHADMN C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1noc2ccccc12 ZINC000563419890 328063720 /nfs/dbraw/zinc/06/37/20/328063720.db2.gz ZXURIKOSWPFLER-ADLMAVQZSA-N 0 1 296.345 3.990 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000563453839 328067558 /nfs/dbraw/zinc/06/75/58/328067558.db2.gz NUYKEGDKWHDXAC-WBMJQRKESA-N 0 1 293.382 3.925 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](CCC1C[C@H](C)C[C@@H](C)C1)C1CCC1 ZINC000563455224 328067647 /nfs/dbraw/zinc/06/76/47/328067647.db2.gz KWZNLTJKSRVMEC-MCIONIFRSA-N 0 1 281.440 3.776 20 0 CHADMN COc1ccc(Cl)c(Cn2c(C)nc3c2CCCC3)c1 ZINC000563548859 328073024 /nfs/dbraw/zinc/07/30/24/328073024.db2.gz AHUCFYBFCAYUGU-UHFFFAOYSA-N 0 1 290.794 3.781 20 0 CHADMN CCN(Cc1nnc(C2CC2)s1)[C@@H]1CCCC[C@@H]1C ZINC000450809257 328080448 /nfs/dbraw/zinc/08/04/48/328080448.db2.gz KBUGKTONWSAWSB-WCQYABFASA-N 0 1 279.453 3.816 20 0 CHADMN Cc1cnn(C)c1CN1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000571190854 328090768 /nfs/dbraw/zinc/09/07/68/328090768.db2.gz CJBONNPQQIHKTL-UHFFFAOYSA-N 0 1 295.430 3.635 20 0 CHADMN CC(C)C[N@H+](CCC(=O)[O-])CC[C@H]1CCC[C@@H](C)C1 ZINC000571219259 328092757 /nfs/dbraw/zinc/09/27/57/328092757.db2.gz AMWWJFJTIWQYSR-HUUCEWRRSA-N 0 1 269.429 3.636 20 0 CHADMN CCCCC[N@@H+](Cc1nc(C(=O)[O-])co1)[C@@H](C)CCC ZINC000571217306 328092839 /nfs/dbraw/zinc/09/28/39/328092839.db2.gz FPOKTBNJNYFRRZ-LBPRGKRZSA-N 0 1 282.384 3.554 20 0 CHADMN CN(C/C=C/c1ccc(F)cc1)Cc1cc(Cl)cn1C ZINC000571270970 328096775 /nfs/dbraw/zinc/09/67/75/328096775.db2.gz RCAVZTGVKRHZCN-ONEGZZNKSA-N 0 1 292.785 3.963 20 0 CHADMN Cc1ccc2ncc(CN3CCC[C@](C)(F)C3)cc2c1 ZINC000411769820 328099592 /nfs/dbraw/zinc/09/95/92/328099592.db2.gz KYFOWVRLFZEOSO-KRWDZBQOSA-N 0 1 272.367 3.867 20 0 CHADMN C[C@@H](NCCCc1cccc2ccccc21)c1csnn1 ZINC000412044304 328102516 /nfs/dbraw/zinc/10/25/16/328102516.db2.gz QRESKMJHLDUBHA-CYBMUJFWSA-N 0 1 297.427 3.975 20 0 CHADMN Cc1cc(C)c(C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])c(C)c1 ZINC000571453281 328122905 /nfs/dbraw/zinc/12/29/05/328122905.db2.gz PUHRRIGHZFGLEO-INIZCTEOSA-N 0 1 277.408 3.543 20 0 CHADMN Cc1cc(C)c(C[N@H+](C)[C@H](CC(C)C)C(=O)[O-])c(C)c1 ZINC000571453285 328122919 /nfs/dbraw/zinc/12/29/19/328122919.db2.gz PUHRRIGHZFGLEO-MRXNPFEDSA-N 0 1 277.408 3.543 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000571451917 328122967 /nfs/dbraw/zinc/12/29/67/328122967.db2.gz CXDJHYUYPLFOJD-SNVBAGLBSA-N 0 1 289.331 3.605 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000571451917 328122969 /nfs/dbraw/zinc/12/29/69/328122969.db2.gz CXDJHYUYPLFOJD-SNVBAGLBSA-N 0 1 289.331 3.605 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccc1)c1cn2ccccc2n1 ZINC000571543656 328132840 /nfs/dbraw/zinc/13/28/40/328132840.db2.gz SEMDGNIHMJIXMD-KBPBESRZSA-N 0 1 265.360 3.746 20 0 CHADMN c1cc2cc(NCc3nnc(C4CC4)s3)ccc2cn1 ZINC000571632990 328150917 /nfs/dbraw/zinc/15/09/17/328150917.db2.gz LVOCCZDVRRIVFX-UHFFFAOYSA-N 0 1 282.372 3.576 20 0 CHADMN Cc1ncc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)[nH]1 ZINC000264622868 328161227 /nfs/dbraw/zinc/16/12/27/328161227.db2.gz LVACKMANYRBBKV-UHFFFAOYSA-N 0 1 297.402 3.646 20 0 CHADMN CCc1ncc(C[N@H+]2CCC[C@H]2c2cc(C)ccc2C)cn1 ZINC000414393593 328162325 /nfs/dbraw/zinc/16/23/25/328162325.db2.gz DQRPKKCGZDHIIQ-SFHVURJKSA-N 0 1 295.430 3.993 20 0 CHADMN CC/C(=C\c1nc(C2(N)CCC2)no1)c1ccc(C)cc1 ZINC000571641803 328166959 /nfs/dbraw/zinc/16/69/59/328166959.db2.gz QGHCVEHKQRVPMA-ACCUITESSA-N 0 1 283.375 3.667 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccccc1)c1cc(F)ccc1F ZINC000268953976 328187338 /nfs/dbraw/zinc/18/73/38/328187338.db2.gz CXYUVTJVJULHEE-YVEFUNNKSA-N 0 1 291.341 3.739 20 0 CHADMN CC[C@H](NCc1cccc(O)c1OC)c1ccccc1 ZINC000414497331 328189088 /nfs/dbraw/zinc/18/90/88/328189088.db2.gz SOTDBECNFJTGDA-HNNXBMFYSA-N 0 1 271.360 3.642 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccccn2)cc1C ZINC000273041258 328203391 /nfs/dbraw/zinc/20/33/91/328203391.db2.gz HTQVYILXWOCNPV-UONOGXRCSA-N 0 1 270.376 3.810 20 0 CHADMN Cc1[nH]c2ccc(-c3nc([C@@H](N)CC(C)C)no3)cc2c1C ZINC000414618707 328203807 /nfs/dbraw/zinc/20/38/07/328203807.db2.gz MZJLOCXQHAABKJ-AWEZNQCLSA-N 0 1 298.390 3.881 20 0 CHADMN CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000414639670 328206244 /nfs/dbraw/zinc/20/62/44/328206244.db2.gz QEUPXAVIMCEUSB-HNNXBMFYSA-N 0 1 275.392 3.785 20 0 CHADMN Cc1ccc(-c2cccc(C[N@@H+](C)CCCC(=O)[O-])c2)cc1 ZINC000414640076 328206306 /nfs/dbraw/zinc/20/63/06/328206306.db2.gz QYEPRMKRFKGFKM-UHFFFAOYSA-N 0 1 297.398 3.959 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1csc(Cl)c1Cl ZINC000414684054 328214194 /nfs/dbraw/zinc/21/41/94/328214194.db2.gz QGDQRYHKEDPBKG-ZETCQYMHSA-N 0 1 296.219 3.740 20 0 CHADMN Cc1cc(CNCc2ccc3c(n2)CCCC3)ccc1F ZINC000277713453 328222130 /nfs/dbraw/zinc/22/21/30/328222130.db2.gz MWGXFDRPTWKICI-UHFFFAOYSA-N 0 1 284.378 3.698 20 0 CHADMN C[C@@H](NCCC1=CCCCC1)c1nc(C(C)(C)C)no1 ZINC000506264919 332767762 /nfs/dbraw/zinc/76/77/62/332767762.db2.gz TUDFVKRRVIBSPP-GFCCVEGCSA-N 0 1 277.412 3.908 20 0 CHADMN Cc1ccc(CN[C@H]2c3ccccc3CC23CCOCC3)o1 ZINC000289722585 328255986 /nfs/dbraw/zinc/25/59/86/328255986.db2.gz GDQJIZNFGQEETQ-SFHVURJKSA-N 0 1 297.398 3.772 20 0 CHADMN C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000471800193 328301024 /nfs/dbraw/zinc/30/10/24/328301024.db2.gz UNUJLCYRZSEALD-FZMZJTMJSA-N 0 1 291.391 3.509 20 0 CHADMN C[C@@H](NCc1ccc(N2CCCCC2)nc1)c1ccoc1 ZINC000531937281 328321953 /nfs/dbraw/zinc/32/19/53/328321953.db2.gz SXCXDMAKELNVBT-CQSZACIVSA-N 0 1 285.391 3.516 20 0 CHADMN COCCOc1cccc(-c2nc3ccc(C)cc3[nH]2)c1 ZINC000534628917 328328233 /nfs/dbraw/zinc/32/82/33/328328233.db2.gz XRIFPRHAVNDVQU-UHFFFAOYSA-N 0 1 282.343 3.564 20 0 CHADMN C[C@H]1CC[C@@H](CC(=O)Nc2cccc(Cl)c2O)C1 ZINC000534701850 328357411 /nfs/dbraw/zinc/35/74/11/328357411.db2.gz ZBKVXPNOBZWPCJ-VHSXEESVSA-N 0 1 267.756 3.810 20 0 CHADMN c1ccc2sc(N3CCN([C@@H]4C=CCCC4)CC3)nc2c1 ZINC000534689638 328358502 /nfs/dbraw/zinc/35/85/02/328358502.db2.gz BWTZNSKAEJPSIM-CQSZACIVSA-N 0 1 299.443 3.527 20 0 CHADMN CN(CC(=O)Nc1cc(Cl)ccc1F)CC1CCCC1 ZINC000049492009 328364131 /nfs/dbraw/zinc/36/41/31/328364131.db2.gz PNLXHZKIUFPGCP-UHFFFAOYSA-N 0 1 298.789 3.540 20 0 CHADMN CCCN(C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000049480404 328364743 /nfs/dbraw/zinc/36/47/43/328364743.db2.gz OXRFIVCAWWMYAG-LBPRGKRZSA-N 0 1 282.815 3.626 20 0 CHADMN CC[C@H]1CCCN1Cc1ccc(F)c(Br)c1 ZINC000049595395 328374017 /nfs/dbraw/zinc/37/40/17/328374017.db2.gz MUXQAOSDPGKCKZ-NSHDSACASA-N 0 1 286.188 3.963 20 0 CHADMN Cc1cc(C[N@H+](C)[C@@H](C)c2cccs2)oc1C(=O)[O-] ZINC000049727635 328377175 /nfs/dbraw/zinc/37/71/75/328377175.db2.gz UNHUMTCCXPZBCG-JTQLQIEISA-N 0 1 279.361 3.541 20 0 CHADMN Cc1cc(C[N@H+](C)[C@H](C)c2cccs2)oc1C(=O)[O-] ZINC000049727637 328377199 /nfs/dbraw/zinc/37/71/99/328377199.db2.gz UNHUMTCCXPZBCG-SNVBAGLBSA-N 0 1 279.361 3.541 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@H]2c2ccccn2)c1 ZINC000535067663 328382843 /nfs/dbraw/zinc/38/28/43/328382843.db2.gz YIYXDBWZXNDAEQ-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cc([C@H]2CCC[N@H+]2Cc2ccnc3ccccc23)on1 ZINC000535074481 328384420 /nfs/dbraw/zinc/38/44/20/328384420.db2.gz BTBIJHYIODYBMO-QGZVFWFLSA-N 0 1 293.370 3.868 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2ccnc3ccccc23)on1 ZINC000535074481 328384421 /nfs/dbraw/zinc/38/44/21/328384421.db2.gz BTBIJHYIODYBMO-QGZVFWFLSA-N 0 1 293.370 3.868 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN2C[C@@H](C)S[C@@H](C)C2)o1 ZINC000535085038 328386110 /nfs/dbraw/zinc/38/61/10/328386110.db2.gz WFXIJHZUUKXXQB-CIQGVGRVSA-N 0 1 265.422 3.729 20 0 CHADMN Cc1c(Br)cccc1CN1C2CCC1CC2 ZINC000535585569 328595098 /nfs/dbraw/zinc/59/50/98/328595098.db2.gz SWDYLJYQSYROIC-UHFFFAOYSA-N 0 1 280.209 3.884 20 0 CHADMN Cc1nc(C2(NC[C@H](C)c3ccccc3)CCCCC2)no1 ZINC000533488123 326841157 /nfs/dbraw/zinc/84/11/57/326841157.db2.gz AMUMLIFKXQSRSH-AWEZNQCLSA-N 0 1 299.418 3.931 20 0 CHADMN C[C@@H](NC1CCC(C(C)(C)C)CC1)c1csnn1 ZINC000398292128 326877946 /nfs/dbraw/zinc/87/79/46/326877946.db2.gz ISWJGTZWRAJUGZ-VOMCLLRMSA-N 0 1 267.442 3.794 20 0 CHADMN COc1ccc(CNCc2cc(C)cc(C)c2)c(OC)c1 ZINC000067449240 326885165 /nfs/dbraw/zinc/88/51/65/326885165.db2.gz UNYPRFQQBKQWLX-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1cnccn1)c1ccc(F)cc1 ZINC000070478269 326916905 /nfs/dbraw/zinc/91/69/05/326916905.db2.gz APYFYUFAGLJCRR-MLGOLLRUSA-N 0 1 273.355 3.664 20 0 CHADMN CC(C)Oc1ccc([C@H](C)N[C@@H](C)c2cnccn2)cc1 ZINC000070478052 326916972 /nfs/dbraw/zinc/91/69/72/326916972.db2.gz ILVCALFYGDTTCF-KBPBESRZSA-N 0 1 285.391 3.676 20 0 CHADMN Clc1cccc(Cl)c1C1(NCC2CC2)CC1 ZINC000309546166 326926317 /nfs/dbraw/zinc/92/63/17/326926317.db2.gz ZZQGPLOAVIATGN-UHFFFAOYSA-N 0 1 256.176 3.982 20 0 CHADMN COC[C@H](NC/C=C\c1ccc(F)cc1)c1ccc(C)o1 ZINC000255326577 326964040 /nfs/dbraw/zinc/96/40/40/326964040.db2.gz UWWMBEYRRQCEJW-QGZUEGPWSA-N 0 1 289.350 3.718 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000263308600 327013769 /nfs/dbraw/zinc/01/37/69/327013769.db2.gz FXADONAOKYGISK-JKJDWNRSSA-N 0 1 279.424 3.530 20 0 CHADMN CC(C)(NC/C=C\c1ccccc1)c1nccs1 ZINC000255848010 327020903 /nfs/dbraw/zinc/02/09/03/327020903.db2.gz SUUOQAMHNNDOAV-TWGQIWQCSA-N 0 1 258.390 3.681 20 0 CHADMN Cc1ccc2nc(NC(=O)Cc3ccc(C)c(C)c3)[nH]c2c1 ZINC000557814445 327028678 /nfs/dbraw/zinc/02/86/78/327028678.db2.gz IDHQAWHBSAJESW-UHFFFAOYSA-N 0 1 293.370 3.669 20 0 CHADMN Cc1ccc2nc(NC(=O)c3ccc(C)cc3F)[nH]c2c1 ZINC000557826203 327029259 /nfs/dbraw/zinc/02/92/59/327029259.db2.gz AAVJILNTCLGNIG-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@@H]1NCc1ccc(Cl)cc1 ZINC000558125602 327074975 /nfs/dbraw/zinc/07/49/75/327074975.db2.gz GKAXEHICNSGONR-MEDUHNTESA-N 0 1 273.763 3.952 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@H]1NCc1ccc(Cl)cc1 ZINC000558125603 327075058 /nfs/dbraw/zinc/07/50/58/327075058.db2.gz GKAXEHICNSGONR-ZBEGNZNMSA-N 0 1 273.763 3.952 20 0 CHADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1csc2ccccc12 ZINC000263526730 327075839 /nfs/dbraw/zinc/07/58/39/327075839.db2.gz UIYVQOIJYFJCTP-RYUDHWBXSA-N 0 1 289.400 3.586 20 0 CHADMN CCCCOCCN1CC(C)(C)[C@H]1c1cccs1 ZINC000558175060 327077185 /nfs/dbraw/zinc/07/71/85/327077185.db2.gz GNNGXVONYQMKLQ-CQSZACIVSA-N 0 1 267.438 3.948 20 0 CHADMN NC1(c2noc(-c3ccc4sccc4c3)n2)CCCC1 ZINC000261732917 327081399 /nfs/dbraw/zinc/08/13/99/327081399.db2.gz KIGVOPIGSSPJEN-UHFFFAOYSA-N 0 1 285.372 3.679 20 0 CHADMN Cc1ccsc1CN(C)Cc1ccc(Cl)cn1 ZINC000558408876 327091836 /nfs/dbraw/zinc/09/18/36/327091836.db2.gz XPHFPKDFCIRBJA-UHFFFAOYSA-N 0 1 266.797 3.737 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000558412412 327092274 /nfs/dbraw/zinc/09/22/74/327092274.db2.gz ZBYRXYUDHGEAIE-BZSNNMDCSA-N 0 1 295.467 3.639 20 0 CHADMN CCc1ncc(CN[C@H](C)c2ccc(OC)cc2)s1 ZINC000090339579 327094443 /nfs/dbraw/zinc/09/44/43/327094443.db2.gz YKJVTGFOYPKDOY-LLVKDONJSA-N 0 1 276.405 3.565 20 0 CHADMN CCCC[C@H](C)N(C)Cc1nc(-c2ccccc2F)no1 ZINC000558476102 327097168 /nfs/dbraw/zinc/09/71/68/327097168.db2.gz KLLAIPKDXUWZFF-LBPRGKRZSA-N 0 1 291.370 3.886 20 0 CHADMN CCCc1csc(CNCC(C)(C)C(F)(F)F)n1 ZINC000558680827 327113591 /nfs/dbraw/zinc/11/35/91/327113591.db2.gz MMZXZHYRAJRYEH-UHFFFAOYSA-N 0 1 280.359 3.774 20 0 CHADMN Cc1cc(C)cc(OCCN[C@@H](C)c2ccncc2F)c1 ZINC000558734166 327118222 /nfs/dbraw/zinc/11/82/22/327118222.db2.gz OGTKJQUMCVHVOH-AWEZNQCLSA-N 0 1 288.366 3.567 20 0 CHADMN CCN1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000558745238 327118752 /nfs/dbraw/zinc/11/87/52/327118752.db2.gz CCJFSKDOUCSKSA-LBPRGKRZSA-N 0 1 261.262 3.596 20 0 CHADMN CC(C)Oc1ccccc1CN(C)CCOc1ccccc1 ZINC000558953675 327134399 /nfs/dbraw/zinc/13/43/99/327134399.db2.gz LYZPUGVQNMNDIT-UHFFFAOYSA-N 0 1 299.414 3.985 20 0 CHADMN FC(F)(F)[C@H]1CCN(CC2(F)CC2)CC12CCC2 ZINC000559080298 327140545 /nfs/dbraw/zinc/14/05/45/327140545.db2.gz BFBIVFSHZUXIPA-JTQLQIEISA-N 0 1 265.294 3.543 20 0 CHADMN CN(Cc1ccccc1Br)CC1(C)CC1 ZINC000559125967 327142448 /nfs/dbraw/zinc/14/24/48/327142448.db2.gz LCNDEUCSJHLLSU-UHFFFAOYSA-N 0 1 268.198 3.681 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000569349264 327142588 /nfs/dbraw/zinc/14/25/88/327142588.db2.gz MDKJVFWDJDMOKY-NXEZZACHSA-N 0 1 273.298 3.641 20 0 CHADMN CCc1ccc(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)nc1 ZINC000559149123 327143463 /nfs/dbraw/zinc/14/34/63/327143463.db2.gz DPJUETHOXSAHFB-SFHVURJKSA-N 0 1 280.415 3.942 20 0 CHADMN Cc1cc(Cl)cc(CN[C@H](CO)c2cccc(F)c2)c1 ZINC000559267173 327152296 /nfs/dbraw/zinc/15/22/96/327152296.db2.gz KYOBLBRIGNHQJR-MRXNPFEDSA-N 0 1 293.769 3.611 20 0 CHADMN Cc1cc(Cl)cc(CN[C@H](CO)c2ccc(F)cc2)c1 ZINC000559267740 327152398 /nfs/dbraw/zinc/15/23/98/327152398.db2.gz SPQKIPWCQWZETC-MRXNPFEDSA-N 0 1 293.769 3.611 20 0 CHADMN Fc1ccccc1[C@H]1CCN(Cc2ccc(Cl)cn2)C1 ZINC000559301634 327156804 /nfs/dbraw/zinc/15/68/04/327156804.db2.gz FIOQYJMEWIYZQS-LBPRGKRZSA-N 0 1 290.769 3.864 20 0 CHADMN CCC[C@@H]1CCC[N@H+]([C@@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000518546912 327173432 /nfs/dbraw/zinc/17/34/32/327173432.db2.gz QRXYDWTWONSXKY-QWHCGFSZSA-N 0 1 279.380 3.859 20 0 CHADMN CSCc1cc(F)ccc1CN[C@@H](C)c1ccccn1 ZINC000159342932 327174454 /nfs/dbraw/zinc/17/44/54/327174454.db2.gz GFZYDPJTWHONAB-LBPRGKRZSA-N 0 1 290.407 3.935 20 0 CHADMN Cc1nnc([C@@H](C)NCC[C@H](C)c2ccccc2)s1 ZINC000278526897 327175059 /nfs/dbraw/zinc/17/50/59/327175059.db2.gz TZKRKKCITFFFFR-NWDGAFQWSA-N 0 1 275.421 3.691 20 0 CHADMN CO[C@H](CN[C@@H](C)c1nccs1)c1cccc(Cl)c1 ZINC000090173048 327177461 /nfs/dbraw/zinc/17/74/61/327177461.db2.gz GJNYTFLBMVYCPK-GXFFZTMASA-N 0 1 296.823 3.835 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1ccc(F)c(F)c1 ZINC000092224207 327190482 /nfs/dbraw/zinc/19/04/82/327190482.db2.gz WEVIOLUWFQOORZ-INIZCTEOSA-N 0 1 276.330 3.943 20 0 CHADMN CCCC[N@@H+](Cc1cnc[nH]1)[C@H](C)c1ccccc1 ZINC000092263440 327191400 /nfs/dbraw/zinc/19/14/00/327191400.db2.gz QTFNUOAUYYWRSI-CQSZACIVSA-N 0 1 257.381 3.773 20 0 CHADMN CCCC[N@H+](Cc1c[nH]cn1)[C@H](C)c1ccccc1 ZINC000092263440 327191402 /nfs/dbraw/zinc/19/14/02/327191402.db2.gz QTFNUOAUYYWRSI-CQSZACIVSA-N 0 1 257.381 3.773 20 0 CHADMN Cc1ncncc1[C@H](C)NCc1ccc(C(F)(F)F)cc1 ZINC000572616975 327191764 /nfs/dbraw/zinc/19/17/64/327191764.db2.gz MJDYZWAVSUYYKE-JTQLQIEISA-N 0 1 295.308 3.655 20 0 CHADMN CC(C)C[C@H](C)C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000410415965 327192780 /nfs/dbraw/zinc/19/27/80/327192780.db2.gz VPAYKGIAJOXFQX-UONOGXRCSA-N 0 1 267.438 3.804 20 0 CHADMN CC(C)C[C@H](C)CN1CCO[C@@H](c2cccs2)C1 ZINC000410415965 327192781 /nfs/dbraw/zinc/19/27/81/327192781.db2.gz VPAYKGIAJOXFQX-UONOGXRCSA-N 0 1 267.438 3.804 20 0 CHADMN CCCC[C@@H](C)N(C)CC(=O)Nc1ccc(SC)cc1 ZINC000569533353 327194410 /nfs/dbraw/zinc/19/44/10/327194410.db2.gz FUPXTGMKVAGIBQ-CYBMUJFWSA-N 0 1 294.464 3.858 20 0 CHADMN Cc1ccc(CN(C)[C@H]2CCCc3nc(C)sc32)o1 ZINC000093364929 327197623 /nfs/dbraw/zinc/19/76/23/327197623.db2.gz YBPJHVDIMQBNMY-AWEZNQCLSA-N 0 1 276.405 3.862 20 0 CHADMN CCOC[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000093838870 327200126 /nfs/dbraw/zinc/20/01/26/327200126.db2.gz GYTZRJJKLOTPKE-LLVKDONJSA-N 0 1 288.218 3.852 20 0 CHADMN Cc1ncsc1CNCc1ccc(C(F)F)cc1 ZINC000150146020 327208466 /nfs/dbraw/zinc/20/84/66/327208466.db2.gz XYPPGDHYZFWIRL-UHFFFAOYSA-N 0 1 268.332 3.679 20 0 CHADMN C[C@H]1CCCC[C@H]1OCCN1CC=C(C(F)(F)F)CC1 ZINC000533833860 327220598 /nfs/dbraw/zinc/22/05/98/327220598.db2.gz GXNYACPBBYEZHT-GXTWGEPZSA-N 0 1 291.357 3.776 20 0 CHADMN CC(C)(C(=O)Nc1ccc2nc[nH]c2c1)C1CCCC1 ZINC000533850069 327223031 /nfs/dbraw/zinc/22/30/31/327223031.db2.gz IFBZUYJRJIVTPQ-UHFFFAOYSA-N 0 1 271.364 3.718 20 0 CHADMN C[N@@H+](Cc1ccc(F)cc1C(=O)[O-])C1CCC(C)(C)CC1 ZINC000094862251 327250819 /nfs/dbraw/zinc/25/08/19/327250819.db2.gz XLMOJEYYTZICIZ-UHFFFAOYSA-N 0 1 293.382 3.925 20 0 CHADMN Cc1cc([C@H](C)NCCCC2CCCCC2)no1 ZINC000556233630 327251124 /nfs/dbraw/zinc/25/11/24/327251124.db2.gz KKNIOTCWVFQPCV-ZDUSSCGKSA-N 0 1 250.386 3.994 20 0 CHADMN CC1(C)CN(CCc2ccccc2Cl)[C@H]1[C@@H]1CCCO1 ZINC000564395629 327252374 /nfs/dbraw/zinc/25/23/74/327252374.db2.gz GEVHFIKSZIUPHB-HOTGVXAUSA-N 0 1 293.838 3.772 20 0 CHADMN CC(C)CC(CC(C)C)NC(=O)c1ccc2cncn2c1 ZINC000559560948 327253801 /nfs/dbraw/zinc/25/38/01/327253801.db2.gz FWUYGSWBZBFUIB-UHFFFAOYSA-N 0 1 287.407 3.525 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1cc2ccccc2o1 ZINC000044497468 327267713 /nfs/dbraw/zinc/26/77/13/327267713.db2.gz AAXJNPLPCJZIPO-NWDGAFQWSA-N 0 1 269.348 3.578 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2cn3ccccc3n2)cc1 ZINC000559895796 327269489 /nfs/dbraw/zinc/26/94/89/327269489.db2.gz NYAUPSGLCUUOJE-AWEZNQCLSA-N 0 1 295.386 3.584 20 0 CHADMN C[C@H](N[C@H]1CCC[C@H]1F)c1nccc2ccccc21 ZINC000559918683 327271193 /nfs/dbraw/zinc/27/11/93/327271193.db2.gz VCUJIZKUTAUUQX-GLQYFDAESA-N 0 1 258.340 3.776 20 0 CHADMN C[C@H](N[C@H]1CCc2cc(F)ccc21)c1cn2ccccc2n1 ZINC000559920988 327271903 /nfs/dbraw/zinc/27/19/03/327271903.db2.gz DTPNDSDSDNDDAC-LRDDRELGSA-N 0 1 295.361 3.812 20 0 CHADMN CCCOc1cccc(CN[C@H]2COCc3ccccc32)c1 ZINC000559920782 327271937 /nfs/dbraw/zinc/27/19/37/327271937.db2.gz INPFVQGLUBFBBK-IBGZPJMESA-N 0 1 297.398 3.837 20 0 CHADMN COc1ccc2nc(SCCCCCF)[nH]c2c1 ZINC000559933841 327272477 /nfs/dbraw/zinc/27/24/77/327272477.db2.gz CCFLZXBFYVAXSK-UHFFFAOYSA-N 0 1 268.357 3.803 20 0 CHADMN CCn1c2ccccc2nc1CN1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000560133730 327285651 /nfs/dbraw/zinc/28/56/51/327285651.db2.gz WFJXUXXDUMAVBR-KXBFYZLASA-N 0 1 295.430 3.677 20 0 CHADMN C[C@@H](CCC(C)(C)C)N[C@@H](CO)c1c(F)cccc1F ZINC000560246926 327292792 /nfs/dbraw/zinc/29/27/92/327292792.db2.gz UKZJXTPFHKSRPR-FZMZJTMJSA-N 0 1 285.378 3.803 20 0 CHADMN Cc1cccc2c1CC[C@@H]2NCc1cnc(C(C)(C)C)nc1 ZINC000560255248 327293830 /nfs/dbraw/zinc/29/38/30/327293830.db2.gz KSSHHWXLDGKJBA-KRWDZBQOSA-N 0 1 295.430 3.860 20 0 CHADMN COc1cc(CN2C[C@@H](C)[C@H]2c2ccccc2)cc(OC)c1 ZINC000560566003 327325359 /nfs/dbraw/zinc/32/53/59/327325359.db2.gz JLSXBVSHCQXJFD-KUHUBIRLSA-N 0 1 297.398 3.897 20 0 CHADMN CC[C@H]1CCCC[N@H+]1CC[C@H](C(=O)[O-])c1ccccc1 ZINC000574406208 327330093 /nfs/dbraw/zinc/33/00/93/327330093.db2.gz JPCVNTNTAKHSLA-HOTGVXAUSA-N 0 1 275.392 3.509 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000566358410 327335412 /nfs/dbraw/zinc/33/54/12/327335412.db2.gz VBPCXTPHMHBEBI-HNNXBMFYSA-N 0 1 279.355 3.608 20 0 CHADMN Cc1ccc(C[N@@H+](C)CCC(=O)Nc2ccccc2)cc1C ZINC000560883470 327349372 /nfs/dbraw/zinc/34/93/72/327349372.db2.gz IWTKKRHAKDDEIE-UHFFFAOYSA-N 0 1 296.414 3.764 20 0 CHADMN C[C@H]1C[C@H](CC[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])C[C@@H](C)C1 ZINC000583446572 327371345 /nfs/dbraw/zinc/37/13/45/327371345.db2.gz JZZUKXCONUHDQC-AALSBFMBSA-N 0 1 281.440 3.634 20 0 CHADMN Cc1cc(OCc2cc(C(C)(C)C)on2)cc(C)n1 ZINC000561227996 327377694 /nfs/dbraw/zinc/37/76/94/327377694.db2.gz MHYDTKMQTYRHQD-UHFFFAOYSA-N 0 1 260.337 3.563 20 0 CHADMN Cn1cccc1CNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000561310520 327384614 /nfs/dbraw/zinc/38/46/14/327384614.db2.gz GOSCMWJWWKXLJF-UHFFFAOYSA-N 0 1 294.320 3.823 20 0 CHADMN CC1(C)CCC[C@@H]1C[NH2+]Cc1c(F)ccc([O-])c1F ZINC000561322607 327385564 /nfs/dbraw/zinc/38/55/64/327385564.db2.gz YYACLNDCODQGPS-SNVBAGLBSA-N 0 1 269.335 3.586 20 0 CHADMN COC[C@@H]1CCN1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000561322576 327385574 /nfs/dbraw/zinc/38/55/74/327385574.db2.gz XYGFPYHIUNJEKK-AWEZNQCLSA-N 0 1 291.778 3.821 20 0 CHADMN CCCC[C@H]([NH2+]Cc1nc(C)ccc1[O-])C1CCC1 ZINC000561981718 327436016 /nfs/dbraw/zinc/43/60/16/327436016.db2.gz DRVFPQGMEWOZGO-AWEZNQCLSA-N 0 1 262.397 3.544 20 0 CHADMN CC(C)C[C@H](C)CNCc1nnc(C(C)(C)C)s1 ZINC000570085111 327567909 /nfs/dbraw/zinc/56/79/09/327567909.db2.gz PDFVMRBWDWRTDA-NSHDSACASA-N 0 1 269.458 3.607 20 0 CHADMN Cc1cccc(CN[C@H](C)c2ccc3c(c2)CCC3)n1 ZINC000051574830 328623696 /nfs/dbraw/zinc/62/36/96/328623696.db2.gz DGVJWKCJPLISLT-CQSZACIVSA-N 0 1 266.388 3.730 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccc(OC)c(F)c2)o1 ZINC000051723547 328630141 /nfs/dbraw/zinc/63/01/41/328630141.db2.gz YWNRQAKAJDBAIS-LLVKDONJSA-N 0 1 277.339 3.841 20 0 CHADMN c1sc(-c2ccccc2)nc1CN1C2CCC1CC2 ZINC000535780158 328631430 /nfs/dbraw/zinc/63/14/30/328631430.db2.gz JCIVZWKVUISYMB-UHFFFAOYSA-N 0 1 270.401 3.937 20 0 CHADMN FC(F)(F)c1ccc2oc(CN3C4CCC3CC4)nc2c1 ZINC000532243416 328710525 /nfs/dbraw/zinc/71/05/25/328710525.db2.gz IYCJCVIOSGNGGA-UHFFFAOYSA-N 0 1 296.292 3.973 20 0 CHADMN Cc1ccc([C@H](C)NC(=O)c2ccc(O)c(Cl)c2)cc1 ZINC000042353652 328766864 /nfs/dbraw/zinc/76/68/64/328766864.db2.gz HHCQCYXGMWKCEZ-NSHDSACASA-N 0 1 289.762 3.845 20 0 CHADMN CN(C)[C@H](CNC(=O)CCCC(C)(C)C)c1cccs1 ZINC000103427765 328768726 /nfs/dbraw/zinc/76/87/26/328768726.db2.gz ZRNNTMYFMCYLCS-CYBMUJFWSA-N 0 1 296.480 3.683 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1ncc(C(C)(C)C)o1 ZINC000104076941 328775808 /nfs/dbraw/zinc/77/58/08/328775808.db2.gz OQAAFFHUTYEVKW-RYUDHWBXSA-N 0 1 250.386 3.735 20 0 CHADMN COc1ncccc1CN[C@@H](CC1CC1)c1ccccc1 ZINC000532458786 328779627 /nfs/dbraw/zinc/77/96/27/328779627.db2.gz JKXPEXHCSQNOPB-KRWDZBQOSA-N 0 1 282.387 3.721 20 0 CHADMN CCc1nnc(CNC[C@H](C)CC2CCCCC2)s1 ZINC000563920040 328836655 /nfs/dbraw/zinc/83/66/55/328836655.db2.gz SXVHARZQMLQRHR-GFCCVEGCSA-N 0 1 281.469 3.797 20 0 CHADMN Cc1nc2c(n1CCCOc1ccc(F)cc1)CCCC2 ZINC000514649693 328843816 /nfs/dbraw/zinc/84/38/16/328843816.db2.gz JVPILMGRDVCHKT-UHFFFAOYSA-N 0 1 288.366 3.679 20 0 CHADMN C[C@H](NC[C@H]1CC[C@@H](c2ccccc2)O1)c1nccs1 ZINC000368095945 328935083 /nfs/dbraw/zinc/93/50/83/328935083.db2.gz VAMXWESEZSEJIL-CFVMTHIKSA-N 0 1 288.416 3.714 20 0 CHADMN CC1CCC(OC2CCN(Cc3cncs3)CC2)CC1 ZINC000371312105 328954188 /nfs/dbraw/zinc/95/41/88/328954188.db2.gz ALDWKTIIMRIRML-UHFFFAOYSA-N 0 1 294.464 3.703 20 0 CHADMN Cc1ccncc1CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000375094234 329000297 /nfs/dbraw/zinc/00/02/97/329000297.db2.gz LUZDRMBAKQAUIJ-ZDUSSCGKSA-N 0 1 288.341 3.658 20 0 CHADMN CCCN(Cc1snnc1C)[C@H]1CCc2ccccc21 ZINC000583696152 329011263 /nfs/dbraw/zinc/01/12/63/329011263.db2.gz HGHKXZGFGOQVSZ-HNNXBMFYSA-N 0 1 287.432 3.746 20 0 CHADMN c1cn(Cc2ccccc2)c(C[N@H+]2CCC[C@H](C3CC3)C2)n1 ZINC000377608643 329020013 /nfs/dbraw/zinc/02/00/13/329020013.db2.gz SZVIFEZXYQIFHT-SFHVURJKSA-N 0 1 295.430 3.553 20 0 CHADMN c1cn(Cc2ccccc2)c(CN2CCC[C@H](C3CC3)C2)n1 ZINC000377608643 329020014 /nfs/dbraw/zinc/02/00/14/329020014.db2.gz SZVIFEZXYQIFHT-SFHVURJKSA-N 0 1 295.430 3.553 20 0 CHADMN c1ccc2sc(CN3C[C@H]4CCCC[C@H]43)nc2c1 ZINC000377724614 329027098 /nfs/dbraw/zinc/02/70/98/329027098.db2.gz PCSMMSHRDDPQEM-DGCLKSJQSA-N 0 1 258.390 3.671 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)N2CCC3(CC3)CC2)n1 ZINC000378325294 329046089 /nfs/dbraw/zinc/04/60/89/329046089.db2.gz DGQRPLSDJXOZRS-CQSZACIVSA-N 0 1 297.402 3.982 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC([C@@H]2CCOC2)CC1 ZINC000378640857 329057566 /nfs/dbraw/zinc/05/75/66/329057566.db2.gz BOYDRTOJWAMRJR-TZMCWYRMSA-N 0 1 295.373 3.774 20 0 CHADMN COc1cc(C[N@@H+](C)Cc2ccc(C)o2)ccc1C ZINC000193613108 329059960 /nfs/dbraw/zinc/05/99/60/329059960.db2.gz DIQRMNKHEKTPFV-UHFFFAOYSA-N 0 1 259.349 3.537 20 0 CHADMN COc1cc(CN(C)Cc2ccc(C)o2)ccc1C ZINC000193613108 329059961 /nfs/dbraw/zinc/05/99/61/329059961.db2.gz DIQRMNKHEKTPFV-UHFFFAOYSA-N 0 1 259.349 3.537 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)Nc1cccc2ccc(O)cc21 ZINC000193740838 329061543 /nfs/dbraw/zinc/06/15/43/329061543.db2.gz PNBDEQLCBISINP-UHFFFAOYSA-N 0 1 295.342 3.644 20 0 CHADMN Cc1c2ccccc2oc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000170580993 329067380 /nfs/dbraw/zinc/06/73/80/329067380.db2.gz NLQCCGFTSJQJBI-UHFFFAOYSA-N 0 1 291.310 3.870 20 0 CHADMN C[C@H](N[C@H]1CN(C)Cc2ccccc21)c1ccsc1 ZINC000360058533 329070631 /nfs/dbraw/zinc/07/06/31/329070631.db2.gz MBSITEIYHFJKKR-LRDDRELGSA-N 0 1 272.417 3.585 20 0 CHADMN CCS[C@H]1CCCCN(Cc2cn3ccsc3n2)C1 ZINC000171833573 329080282 /nfs/dbraw/zinc/08/02/82/329080282.db2.gz JVHZXGVLAOJMEX-ZDUSSCGKSA-N 0 1 295.477 3.503 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000172178236 329082068 /nfs/dbraw/zinc/08/20/68/329082068.db2.gz BJHPRWLHPCMNOH-UHFFFAOYSA-N 0 1 292.342 3.714 20 0 CHADMN CC(C)n1ccnc1CN1CCC[C@]2(CC=CCC2)C1 ZINC000172283360 329084461 /nfs/dbraw/zinc/08/44/61/329084461.db2.gz UTVDHCBVMSSJAF-QGZVFWFLSA-N 0 1 273.424 3.786 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(F)cc2C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000393500614 329086781 /nfs/dbraw/zinc/08/67/81/329086781.db2.gz ZOYXAJLQRQATEW-HUUCEWRRSA-N 0 1 291.366 3.534 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1ccc2c(n1)CCC2 ZINC000582591726 329113326 /nfs/dbraw/zinc/11/33/26/329113326.db2.gz ICHVZYHBZHABAM-GOSISDBHSA-N 0 1 281.403 3.548 20 0 CHADMN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CC1CCCCC1 ZINC000582617059 329118561 /nfs/dbraw/zinc/11/85/61/329118561.db2.gz LUMFFZWXAGURPJ-IRXDYDNUSA-N 0 1 293.451 3.922 20 0 CHADMN Cc1cc(F)ccc1NC(=O)c1cn[nH]c1-c1ccccc1 ZINC000173066316 329140030 /nfs/dbraw/zinc/14/00/30/329140030.db2.gz FKKHTPZBPFWMDU-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN CC(C)c1noc([C@H](C)N2CCC3(CCCC3)C2)n1 ZINC000174275196 329156270 /nfs/dbraw/zinc/15/62/70/329156270.db2.gz RXHCKACLPUOQAE-LBPRGKRZSA-N 0 1 263.385 3.520 20 0 CHADMN CC(C)CCc1nc(C[N@H+]2CCC[C@@H]2C)cs1 ZINC000174415332 329158969 /nfs/dbraw/zinc/15/89/69/329158969.db2.gz NTDJZFVSNFDPBU-LBPRGKRZSA-N 0 1 252.427 3.716 20 0 CHADMN CC(C)CCc1nc(CN2CCC[C@@H]2C)cs1 ZINC000174415332 329158971 /nfs/dbraw/zinc/15/89/71/329158971.db2.gz NTDJZFVSNFDPBU-LBPRGKRZSA-N 0 1 252.427 3.716 20 0 CHADMN C[C@H]1CCCN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000175061339 329162412 /nfs/dbraw/zinc/16/24/12/329162412.db2.gz BTJIPNXVUSVPGO-LBPRGKRZSA-N 0 1 274.339 3.713 20 0 CHADMN CCN(C/C=C\c1ccccc1)Cc1ccccn1 ZINC000177001676 329180507 /nfs/dbraw/zinc/18/05/07/329180507.db2.gz SISXYHPJABKJCC-FLIBITNWSA-N 0 1 252.361 3.617 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccc1-n1cccn1)c1ccccn1 ZINC000177180247 329181424 /nfs/dbraw/zinc/18/14/24/329181424.db2.gz KMVBXQPIXSPTHO-LSDHHAIUSA-N 0 1 292.386 3.679 20 0 CHADMN CCCCO[C@@H]1C[C@@H](N(C)Cc2c(C)noc2C)C1(C)C ZINC000177736590 329186631 /nfs/dbraw/zinc/18/66/31/329186631.db2.gz BLNXLSIHNPRNGM-HZPDHXFCSA-N 0 1 294.439 3.707 20 0 CHADMN Cc1ccc(CN(C)[C@@H]2CCc3ccc(F)cc32)o1 ZINC000177673130 329189006 /nfs/dbraw/zinc/18/90/06/329189006.db2.gz IEVXPBIXNAOQEA-MRXNPFEDSA-N 0 1 259.324 3.846 20 0 CHADMN CC[C@H](NCc1cn2c(cccc2C)n1)c1cccs1 ZINC000178058492 329191943 /nfs/dbraw/zinc/19/19/43/329191943.db2.gz GWFWXEVRWNTAHE-AWEZNQCLSA-N 0 1 285.416 3.945 20 0 CHADMN CCS[C@@H](C)c1noc(CN(C)[C@@H]2CCC[C@H](C)C2)n1 ZINC000178304285 329195925 /nfs/dbraw/zinc/19/59/25/329195925.db2.gz NFCGQCRYDWWTKH-RWMBFGLXSA-N 0 1 297.468 3.894 20 0 CHADMN CSc1ccc(CN[C@@H](C)c2cncc(F)c2)cc1 ZINC000178591794 329201144 /nfs/dbraw/zinc/20/11/44/329201144.db2.gz PLOCRJUKDYDIRD-NSHDSACASA-N 0 1 276.380 3.793 20 0 CHADMN CC(C)n1cc(CN2CCc3ccccc3[C@@H]2C)cn1 ZINC000179490898 329209079 /nfs/dbraw/zinc/20/90/79/329209079.db2.gz HHJVVQJESWLVQT-AWEZNQCLSA-N 0 1 269.392 3.583 20 0 CHADMN CC(C)n1cc(CN2CCSC3(CCCCC3)C2)cn1 ZINC000179969988 329214103 /nfs/dbraw/zinc/21/41/03/329214103.db2.gz ZGMBVQYSGXSHOP-UHFFFAOYSA-N 0 1 293.480 3.716 20 0 CHADMN CN(Cc1ccc(Oc2ccccc2)o1)C[C@H]1CCCO1 ZINC000180420363 329216474 /nfs/dbraw/zinc/21/64/74/329216474.db2.gz IPLPBDIUKQVFSH-OAHLLOKOSA-N 0 1 287.359 3.683 20 0 CHADMN Cc1cnc(C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)s1 ZINC000180496656 329219936 /nfs/dbraw/zinc/21/99/36/329219936.db2.gz BELBDUMGBLYSBG-SWLSCSKDSA-N 0 1 272.417 3.830 20 0 CHADMN C[C@@H]1CCC[C@@H](N(C)Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000181100567 329226083 /nfs/dbraw/zinc/22/60/83/329226083.db2.gz GYNMFGWZMSIHEU-IUODEOHRSA-N 0 1 288.439 3.501 20 0 CHADMN Cc1oncc1C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000181723336 329236036 /nfs/dbraw/zinc/23/60/36/329236036.db2.gz AGTLPPDAFOGUGB-CQSZACIVSA-N 0 1 288.416 3.597 20 0 CHADMN Cc1oncc1C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000181723317 329236098 /nfs/dbraw/zinc/23/60/98/329236098.db2.gz AGTLPPDAFOGUGB-AWEZNQCLSA-N 0 1 288.416 3.597 20 0 CHADMN CCO[C@@H]1C[C@@H](NCc2nc(C(C)C)cs2)C12CCC2 ZINC000181910752 329238215 /nfs/dbraw/zinc/23/82/15/329238215.db2.gz HCFKHLASEVWAMU-ZIAGYGMSSA-N 0 1 294.464 3.704 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000182066721 329239190 /nfs/dbraw/zinc/23/91/90/329239190.db2.gz CKFPRBGRGFTTQJ-CQSZACIVSA-N 0 1 296.414 3.988 20 0 CHADMN CC[C@H](NC[C@H](O)C(F)F)c1ccc(Cl)cc1Cl ZINC000224465688 329244054 /nfs/dbraw/zinc/24/40/54/329244054.db2.gz PPANKOJQEJINAZ-QWRGUYRKSA-N 0 1 298.160 3.660 20 0 CHADMN CC[C@@H](NC[C@H](O)C(F)F)c1ccc(Cl)cc1Cl ZINC000224465640 329244083 /nfs/dbraw/zinc/24/40/83/329244083.db2.gz PPANKOJQEJINAZ-MNOVXSKESA-N 0 1 298.160 3.660 20 0 CHADMN Cn1ccnc1[C@@H](N[C@H]1CCCc2cc(F)ccc21)C1CC1 ZINC000183364942 329247387 /nfs/dbraw/zinc/24/73/87/329247387.db2.gz ULCJNIFRYOGVHY-IRXDYDNUSA-N 0 1 299.393 3.678 20 0 CHADMN Cc1cc(CN2CC[C@@H](c3cc(C)cc(C)c3)C2)no1 ZINC000183489584 329248140 /nfs/dbraw/zinc/24/81/40/329248140.db2.gz PGNIVELVFVPJLG-OAHLLOKOSA-N 0 1 270.376 3.589 20 0 CHADMN CC[C@H](CSc1ccccc1)NCc1cc(C)on1 ZINC000459455320 329256984 /nfs/dbraw/zinc/25/69/84/329256984.db2.gz VJKDMPGIIFLWKE-CYBMUJFWSA-N 0 1 276.405 3.644 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccc3occc3c1)CO2 ZINC000582836409 329276031 /nfs/dbraw/zinc/27/60/31/329276031.db2.gz GMIWUQYEHMVDCC-INIZCTEOSA-N 0 1 279.339 3.965 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)C1CC2(CCC2)C1 ZINC000582850329 329279866 /nfs/dbraw/zinc/27/98/66/329279866.db2.gz ZJOVCVYTMFCGSM-UHFFFAOYSA-N 0 1 283.730 3.704 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)C1CCCCC1 ZINC000582909133 329286876 /nfs/dbraw/zinc/28/68/76/329286876.db2.gz GWUOGIYBIKGNNE-UHFFFAOYSA-N 0 1 281.783 3.803 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])oc1C ZINC000582910872 329287357 /nfs/dbraw/zinc/28/73/57/329287357.db2.gz WUJOCGOFLXVMLC-SMDDNHRTSA-N 0 1 279.380 3.687 20 0 CHADMN CC(C)c1ccc(CSCCCN2CCOCC2)cc1 ZINC000508830865 332851020 /nfs/dbraw/zinc/85/10/20/332851020.db2.gz VJFJQXJJIMEKSW-UHFFFAOYSA-N 0 1 293.476 3.766 20 0 CHADMN CCC[C@]1(C)CCC[N@H+]([C@H](C(=O)[O-])c2ccsc2)C1 ZINC000583030895 329304935 /nfs/dbraw/zinc/30/49/35/329304935.db2.gz WFMAOPHXYCDWHJ-DZGCQCFKSA-N 0 1 281.421 3.776 20 0 CHADMN FC[C@@H]1CCCN1CCOc1ccccc1C(F)(F)F ZINC000583039003 329306375 /nfs/dbraw/zinc/30/63/75/329306375.db2.gz RINJEPFLHGDOPI-NSHDSACASA-N 0 1 291.288 3.518 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000583148099 329322575 /nfs/dbraw/zinc/32/25/75/329322575.db2.gz VUUUWJYUWPDGGN-QWRGUYRKSA-N 0 1 291.372 3.937 20 0 CHADMN C[C@]1(Cc2ccccc2)CCCN1Cc1nc(C2CC2)no1 ZINC000186044462 329336500 /nfs/dbraw/zinc/33/65/00/329336500.db2.gz ZITMTWXOIJYWDU-GOSISDBHSA-N 0 1 297.402 3.544 20 0 CHADMN Oc1cc(F)cc(CN2CCC[C@@H]2c2cccs2)c1 ZINC000186162787 329338661 /nfs/dbraw/zinc/33/86/61/329338661.db2.gz LVCRUBWXHMDFGC-CQSZACIVSA-N 0 1 277.364 3.930 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000392448700 329340658 /nfs/dbraw/zinc/34/06/58/329340658.db2.gz GFSTUHBQJXADDN-YUMQZZPRSA-N 0 1 299.205 3.832 20 0 CHADMN Cc1[nH]ncc1CNc1cc(Br)c(C)cc1C ZINC000186406722 329341944 /nfs/dbraw/zinc/34/19/44/329341944.db2.gz HZQVVBQQPREPGT-UHFFFAOYSA-N 0 1 294.196 3.710 20 0 CHADMN CCCCN(C)Cc1nc2ccc(OC)cc2s1 ZINC000186460017 329343086 /nfs/dbraw/zinc/34/30/86/329343086.db2.gz AJVLCGSGYBCDNT-UHFFFAOYSA-N 0 1 264.394 3.537 20 0 CHADMN Cc1ccc(CN(C)[C@@H](C)c2cccs2)c(C)n1 ZINC000186681104 329347275 /nfs/dbraw/zinc/34/72/75/329347275.db2.gz NCQBQMFMDYRRSE-ZDUSSCGKSA-N 0 1 260.406 3.953 20 0 CHADMN Fc1cccc(-c2cnc(CN3CCCC4(CC4)C3)o2)c1 ZINC000186990097 329352731 /nfs/dbraw/zinc/35/27/31/329352731.db2.gz JFEOSNFTCMPQPJ-UHFFFAOYSA-N 0 1 286.350 3.857 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(F)cc2F)c(C)n1 ZINC000187402167 329357357 /nfs/dbraw/zinc/35/73/57/329357357.db2.gz IOEUKTOOLNVCED-LBPRGKRZSA-N 0 1 276.330 3.827 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(C)nc2C)c(C)o1 ZINC000187497079 329358309 /nfs/dbraw/zinc/35/83/09/329358309.db2.gz UZHPROFEKLHSBV-ZDUSSCGKSA-N 0 1 258.365 3.759 20 0 CHADMN COc1ccc2nc(CN3CCCC4(CC4)C3)sc2c1 ZINC000187568012 329359264 /nfs/dbraw/zinc/35/92/64/329359264.db2.gz BLEHNSIXCOCYKF-UHFFFAOYSA-N 0 1 288.416 3.681 20 0 CHADMN Cc1ncccc1CN[C@@H](C)c1cc2ccccc2o1 ZINC000189097048 329375752 /nfs/dbraw/zinc/37/57/52/329375752.db2.gz NDJGJQGOTZVUII-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN CCc1ccc(CNCc2nc(C)c(C)s2)cc1 ZINC000231672544 329378149 /nfs/dbraw/zinc/37/81/49/329378149.db2.gz ZAXQHSMOVWZHFI-UHFFFAOYSA-N 0 1 260.406 3.612 20 0 CHADMN C[C@H](NCc1ccsc1)c1cccc(F)c1F ZINC000231633047 329378985 /nfs/dbraw/zinc/37/89/85/329378985.db2.gz NJEMHXRXEIBORW-VIFPVBQESA-N 0 1 253.317 3.877 20 0 CHADMN CC(C)[C@@H](C)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000191577643 329417802 /nfs/dbraw/zinc/41/78/02/329417802.db2.gz PWBIAYQFCXQLMC-NEPJUHHUSA-N 0 1 265.401 3.812 20 0 CHADMN c1cc(CNCc2ccc(C3CC3)cc2)c2c(c1)OCCO2 ZINC000191683342 329420801 /nfs/dbraw/zinc/42/08/01/329420801.db2.gz VAWNQHZUWABOJJ-UHFFFAOYSA-N 0 1 295.382 3.625 20 0 CHADMN Fc1ccc(CN2C[C@@H]3CCC[C@H]3C2)cc1Br ZINC000148112960 329629840 /nfs/dbraw/zinc/62/98/40/329629840.db2.gz ZVZFBXOPPWKJFC-RYUDHWBXSA-N 0 1 298.199 3.820 20 0 CHADMN [O-]c1cccc(C[NH2+]CCc2cccc(F)c2)c1Cl ZINC000393235961 329686260 /nfs/dbraw/zinc/68/62/60/329686260.db2.gz IUKDYUILXSSMDJ-UHFFFAOYSA-N 0 1 279.742 3.517 20 0 CHADMN CC[C@H](NC[C@H](CC(C)C)OC)c1nc(C)cs1 ZINC000419241786 329713925 /nfs/dbraw/zinc/71/39/25/329713925.db2.gz HHNUEKRVBDPIKB-STQMWFEESA-N 0 1 270.442 3.553 20 0 CHADMN Cc1ncccc1CN[C@H](CC(F)F)c1ccccc1 ZINC000421004258 329798145 /nfs/dbraw/zinc/79/81/45/329798145.db2.gz ZWWGWKOLHFNFLL-OAHLLOKOSA-N 0 1 276.330 3.876 20 0 CHADMN Cc1ccn2cc(CNCc3cccc(C4CC4)c3)nc2c1 ZINC000421322591 329812044 /nfs/dbraw/zinc/81/20/44/329812044.db2.gz GRNZBJYAUBSUKA-UHFFFAOYSA-N 0 1 291.398 3.810 20 0 CHADMN Cc1c(Cl)c(CNCC[C@H](C)c2ccccc2)nn1C ZINC000421323190 329812205 /nfs/dbraw/zinc/81/22/05/329812205.db2.gz HVGURYMYXJSQCI-LBPRGKRZSA-N 0 1 291.826 3.665 20 0 CHADMN CCC[C@@H](NCc1nn(C)c(C)c1Cl)C(C)(C)C ZINC000421388400 329819650 /nfs/dbraw/zinc/81/96/50/329819650.db2.gz VMXHIYRWQGPCLN-GFCCVEGCSA-N 0 1 271.836 3.686 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)NCc2cc(C)nc(C)c2)c1 ZINC000421370860 329824529 /nfs/dbraw/zinc/82/45/29/329824529.db2.gz DEQPBOASPWXSRZ-AWEZNQCLSA-N 0 1 297.402 3.508 20 0 CHADMN c1coc(CNCc2ccc(OCc3ccccn3)cc2)c1 ZINC000069755829 329854374 /nfs/dbraw/zinc/85/43/74/329854374.db2.gz KUJYCBDPMSBJLF-UHFFFAOYSA-N 0 1 294.354 3.543 20 0 CHADMN Cn1cccc1CNCc1ccc(Cl)cc1Cl ZINC000072889226 329859376 /nfs/dbraw/zinc/85/93/76/329859376.db2.gz WVPWVSNHKPDVNL-UHFFFAOYSA-N 0 1 269.175 3.622 20 0 CHADMN CCc1cnc(CN[C@H]2CCC[C@@H]2CCC(C)C)o1 ZINC000572184080 329952905 /nfs/dbraw/zinc/95/29/05/329952905.db2.gz XFPVZHNATGOSLZ-HIFRSBDPSA-N 0 1 264.413 3.932 20 0 CHADMN Cc1csc(C2(NCc3cccc(N)c3)CCCC2)n1 ZINC000261625467 329976479 /nfs/dbraw/zinc/97/64/79/329976479.db2.gz CUNJGZGLVMUIEW-UHFFFAOYSA-N 0 1 287.432 3.593 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(/C=C/c2nc(C3(N)CCCC3)no2)o1 ZINC000261768843 329982447 /nfs/dbraw/zinc/98/24/47/329982447.db2.gz MZWXLYLASVAREU-HASJVIIQSA-N 0 1 299.374 3.684 20 0 CHADMN CCC(CC)(c1nc(C2(N)CCC2)no1)c1ccccc1 ZINC000261955084 329991327 /nfs/dbraw/zinc/99/13/27/329991327.db2.gz OOOWIAJJHFOBQO-UHFFFAOYSA-N 0 1 285.391 3.514 20 0 CHADMN C[C@H]1CC(CC[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C[C@H](C)C1 ZINC000262223505 330001793 /nfs/dbraw/zinc/00/17/93/330001793.db2.gz VRRFOQCQJXMTGY-AHEZYBDSSA-N 0 1 293.451 3.636 20 0 CHADMN Cc1ccc([C@H](N)C(=O)N(C)c2ccc(C(C)C)cc2)cc1 ZINC000262682368 330026775 /nfs/dbraw/zinc/02/67/75/330026775.db2.gz WOTLOTTUGNLBEM-SFHVURJKSA-N 0 1 296.414 3.781 20 0 CHADMN Cc1ccc(O)c(CN(C)Cc2ccc(F)c(Cl)c2)n1 ZINC000432789449 330037157 /nfs/dbraw/zinc/03/71/57/330037157.db2.gz SBQGSVJQWXBBQC-UHFFFAOYSA-N 0 1 294.757 3.520 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000262953877 330037584 /nfs/dbraw/zinc/03/75/84/330037584.db2.gz BDGGIXIRRFUIIF-CQSZACIVSA-N 0 1 283.371 3.620 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC000263061120 330041516 /nfs/dbraw/zinc/04/15/16/330041516.db2.gz MVHDEJAYADNXHW-DYVFJYSZSA-N 0 1 287.403 3.639 20 0 CHADMN Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000263409191 330054561 /nfs/dbraw/zinc/05/45/61/330054561.db2.gz KVEBGORASFHWTR-GOSISDBHSA-N 0 1 295.382 3.711 20 0 CHADMN C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)CCC(=O)[O-] ZINC000263426924 330055273 /nfs/dbraw/zinc/05/52/73/330055273.db2.gz QXKGCLFVRTURMM-CQSZACIVSA-N 0 1 291.435 3.569 20 0 CHADMN Cc1ccc(C[C@H](C)[N@@H+](C)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000263474865 330057132 /nfs/dbraw/zinc/05/71/32/330057132.db2.gz MHWPUHLHGXBAQN-HNNXBMFYSA-N 0 1 297.398 3.756 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263482042 330057363 /nfs/dbraw/zinc/05/73/63/330057363.db2.gz OEYGGBXABHTASP-CJNGLKHVSA-N 0 1 275.392 3.785 20 0 CHADMN C[C@@H]1CCC[C@H](C[NH2+]Cc2c(F)ccc([O-])c2F)C1 ZINC000510125398 332893510 /nfs/dbraw/zinc/89/35/10/332893510.db2.gz XUHJNRUZEFYMQK-MNOVXSKESA-N 0 1 269.335 3.586 20 0 CHADMN C[C@@H](CC(=O)OC(C)(C)C)N[C@@H](C)c1ccncc1Cl ZINC000421843092 330094195 /nfs/dbraw/zinc/09/41/95/330094195.db2.gz MGPVRFOKELRYSY-QWRGUYRKSA-N 0 1 298.814 3.506 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(F)cn2)C(C)C)cc(C)n1 ZINC000421860885 330097876 /nfs/dbraw/zinc/09/78/76/330097876.db2.gz UPVRXGFGWZDPHH-QGZVFWFLSA-N 0 1 287.382 3.719 20 0 CHADMN CC[C@H](NCc1cc(C)nc(C)c1)c1ccccc1OC ZINC000421892783 330104553 /nfs/dbraw/zinc/10/45/53/330104553.db2.gz WRDGQSRLIMNSBY-KRWDZBQOSA-N 0 1 284.403 3.948 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CC[C@@H](C2CCCC2)C1 ZINC000421945474 330111624 /nfs/dbraw/zinc/11/16/24/330111624.db2.gz GXXWNNGVVLAWSA-CYBMUJFWSA-N 0 1 293.794 3.698 20 0 CHADMN CCCC(CCC)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000162775779 330114529 /nfs/dbraw/zinc/11/45/29/330114529.db2.gz GYLZNFVJQWKHHM-AWEZNQCLSA-N 0 1 296.480 3.683 20 0 CHADMN COc1cccc(CN(C)[C@H](C)c2ccccc2)c1OC ZINC000171028577 330126345 /nfs/dbraw/zinc/12/63/45/330126345.db2.gz QCJHRKYFSUTRGV-CQSZACIVSA-N 0 1 285.387 3.897 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000422639369 330150645 /nfs/dbraw/zinc/15/06/45/330150645.db2.gz WQBKDZCWEXTPKT-QLFBSQMISA-N 0 1 269.429 3.778 20 0 CHADMN Cc1ccnc([C@H](C)NCc2ccc3c(c2)CCCN3)c1 ZINC000423442178 330201854 /nfs/dbraw/zinc/20/18/54/330201854.db2.gz JNJCIHSCFAAVMS-AWEZNQCLSA-N 0 1 281.403 3.599 20 0 CHADMN Cc1cc(N)cc(CN[C@@H](C)c2ccc(F)cc2F)c1 ZINC000423476204 330205677 /nfs/dbraw/zinc/20/56/77/330205677.db2.gz IQIQBFZWMBEHSE-NSHDSACASA-N 0 1 276.330 3.706 20 0 CHADMN CC(C)CO[C@@H]1CCN(C/C=C\c2ccc(F)c(F)c2)C1 ZINC000580482652 330226275 /nfs/dbraw/zinc/22/62/75/330226275.db2.gz BNMNLYUHTSHDOF-ABCZVMIZSA-N 0 1 295.373 3.725 20 0 CHADMN CC1(C)C[C@H](N[C@H](c2ccco2)c2ccccc2)CO1 ZINC000396831963 330226845 /nfs/dbraw/zinc/22/68/45/330226845.db2.gz RZIVUNRWVCMXBF-HOCLYGCPSA-N 0 1 271.360 3.526 20 0 CHADMN Cc1ccc(C)c([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000536830822 330228957 /nfs/dbraw/zinc/22/89/57/330228957.db2.gz FBGYXQNASUKCSI-KBPBESRZSA-N 0 1 286.423 3.957 20 0 CHADMN CC[C@H](O)[C@H]1CCCCN1Cc1cccc(Cl)c1F ZINC000527213388 330237328 /nfs/dbraw/zinc/23/73/28/330237328.db2.gz IMEYNWFIWXLPDQ-KGLIPLIRSA-N 0 1 285.790 3.605 20 0 CHADMN CCN(Cc1ccnn1C(C)C)Cc1ccc(C)cc1 ZINC000527218772 330238293 /nfs/dbraw/zinc/23/82/93/330238293.db2.gz MLNVZYCFKMDUKC-UHFFFAOYSA-N 0 1 271.408 3.795 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)NCc2cnc(C)cc2C)c1 ZINC000397074151 330238331 /nfs/dbraw/zinc/23/83/31/330238331.db2.gz CXUYONNAYHGUOJ-AWEZNQCLSA-N 0 1 297.402 3.508 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2ccc(F)c(F)c2)cn1 ZINC000397116819 330238621 /nfs/dbraw/zinc/23/86/21/330238621.db2.gz VYBPFNDZOLGLEJ-GFCCVEGCSA-N 0 1 276.330 3.827 20 0 CHADMN Cc1ccc(CN2[C@@H](C)C[C@@H]2C)c(Br)c1 ZINC000527529434 330258215 /nfs/dbraw/zinc/25/82/15/330258215.db2.gz NNNMXQUOPHMERI-QWRGUYRKSA-N 0 1 268.198 3.740 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1ccnc(C)c1)[C@H]2C ZINC000527539181 330260853 /nfs/dbraw/zinc/26/08/53/330260853.db2.gz PPEGISQRYBRDQE-CABCVRRESA-N 0 1 296.414 3.906 20 0 CHADMN Cc1cc(CN2C[C@@H](C)[C@H]2c2ccccc2)ccn1 ZINC000527533709 330262943 /nfs/dbraw/zinc/26/29/43/330262943.db2.gz JLJZWRBNSBAENH-DYVFJYSZSA-N 0 1 252.361 3.583 20 0 CHADMN CC[C@H]1c2ccsc2CCN1Cc1ccnc(C)c1 ZINC000527534822 330263219 /nfs/dbraw/zinc/26/32/19/330263219.db2.gz QYAVYDMNMOCHEF-HNNXBMFYSA-N 0 1 272.417 3.961 20 0 CHADMN Cc1cc(CNC2(c3cccc(Cl)c3)CC2)ccn1 ZINC000527537362 330264046 /nfs/dbraw/zinc/26/40/46/330264046.db2.gz BGSSKFQZICPLMC-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN COc1ccccc1[C@@H](CO)N[C@@H](C)c1cccc(C)c1C ZINC000536871037 330266148 /nfs/dbraw/zinc/26/61/48/330266148.db2.gz OPZHMIMUEXSUSN-MAUKXSAKSA-N 0 1 299.414 3.696 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1ccncc1Cl ZINC000527647833 330266821 /nfs/dbraw/zinc/26/68/21/330266821.db2.gz BQXMJDLLYUXHHE-MRXNPFEDSA-N 0 1 272.779 3.821 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1ccncc1Cl ZINC000527647832 330266976 /nfs/dbraw/zinc/26/69/76/330266976.db2.gz BQXMJDLLYUXHHE-INIZCTEOSA-N 0 1 272.779 3.821 20 0 CHADMN Cc1ccc(OCCNCc2ccncc2Cl)c(C)c1 ZINC000527633272 330267214 /nfs/dbraw/zinc/26/72/14/330267214.db2.gz XJFCJFMSBYGXSV-UHFFFAOYSA-N 0 1 290.794 3.520 20 0 CHADMN C[C@@H](N[C@@H](c1nccn1C)c1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000527634184 330267284 /nfs/dbraw/zinc/26/72/84/330267284.db2.gz BWWRHBWUZMTUBG-XFKAJCMBSA-N 0 1 295.430 3.534 20 0 CHADMN CCOCc1ccc(CNCc2ccncc2Cl)cc1 ZINC000527637902 330267725 /nfs/dbraw/zinc/26/77/25/330267725.db2.gz QYBVECPQTMWRGE-UHFFFAOYSA-N 0 1 290.794 3.561 20 0 CHADMN CCC(F)(F)C(C)(C)CNc1cnccc1-n1cccn1 ZINC000527683630 330271242 /nfs/dbraw/zinc/27/12/42/330271242.db2.gz MTRRUNSDUDUILA-UHFFFAOYSA-N 0 1 294.349 3.751 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2NCc1ccncc1Cl ZINC000527648674 330271851 /nfs/dbraw/zinc/27/18/51/330271851.db2.gz JRCVVADYEDMJMN-HNNXBMFYSA-N 0 1 276.742 3.651 20 0 CHADMN CC(C)n1cncc1CNCc1coc2ccccc12 ZINC000424136394 330272309 /nfs/dbraw/zinc/27/23/09/330272309.db2.gz ANXDIFWZJMOEDF-UHFFFAOYSA-N 0 1 269.348 3.500 20 0 CHADMN CC(C)[C@@H](N[C@H](C)[C@@H]1C[C@H]1C1CC1)c1nc(C2CC2)no1 ZINC000527660051 330273661 /nfs/dbraw/zinc/27/36/61/330273661.db2.gz IKKMCHIYCFIMLV-SDJAHQOYSA-N 0 1 289.423 3.668 20 0 CHADMN Cc1cc(CNCc2cc(C3CC3)ccc2F)ccn1 ZINC000527713913 330276259 /nfs/dbraw/zinc/27/62/59/330276259.db2.gz PLMOUEKMPDRJGD-UHFFFAOYSA-N 0 1 270.351 3.696 20 0 CHADMN C[C@H](NCc1cc(COC(C)(C)C)on1)[C@@H]1C[C@H]1C1CC1 ZINC000527695649 330279704 /nfs/dbraw/zinc/27/97/04/330279704.db2.gz PPYQBXBDZGAAGE-UVBJJODRSA-N 0 1 292.423 3.514 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@@H](c1ccccn1)C1CCC1 ZINC000527771268 330282091 /nfs/dbraw/zinc/28/20/91/330282091.db2.gz KCJSDUQFBCBPFP-GOSISDBHSA-N 0 1 298.434 3.798 20 0 CHADMN COc1ccc(C(C)(C)NCc2scnc2C)cc1F ZINC000527780715 330283108 /nfs/dbraw/zinc/28/31/08/330283108.db2.gz HNKIWHDDLZAFNN-UHFFFAOYSA-N 0 1 294.395 3.624 20 0 CHADMN CCn1ccnc1CN[C@@H](c1cccc(C)c1)C(C)C ZINC000527814198 330284928 /nfs/dbraw/zinc/28/49/28/330284928.db2.gz PQLPMJSJDIJEAU-QGZVFWFLSA-N 0 1 271.408 3.698 20 0 CHADMN Cc1cccc([C@H](NCc2nccs2)C(C)C)c1 ZINC000527814477 330284950 /nfs/dbraw/zinc/28/49/50/330284950.db2.gz SHUQQUPKUPOHHF-OAHLLOKOSA-N 0 1 260.406 3.938 20 0 CHADMN C[C@@H](N[C@@H](C)c1noc(-c2ccccc2)n1)[C@@H]1CC12CC2 ZINC000527865003 330285584 /nfs/dbraw/zinc/28/55/84/330285584.db2.gz FVLICBNKVQTNSC-DYEKYZERSA-N 0 1 283.375 3.576 20 0 CHADMN Cc1cccc([C@@H](N[C@@H]2CCn3ccnc32)C(C)C)c1 ZINC000527904438 330289787 /nfs/dbraw/zinc/28/97/87/330289787.db2.gz NWLBSMPWVHZHEE-CVEARBPZSA-N 0 1 269.392 3.623 20 0 CHADMN Cc1ncc(CN[C@H](c2cccc(C)c2)C(C)C)o1 ZINC000527908335 330290539 /nfs/dbraw/zinc/29/05/39/330290539.db2.gz GNXDDWNHJXNHDG-INIZCTEOSA-N 0 1 258.365 3.778 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccn(C)n1)c1cc(C)ccc1C ZINC000527910905 330290633 /nfs/dbraw/zinc/29/06/33/330290633.db2.gz WGCNYSMVRQGOBO-GDBMZVCRSA-N 0 1 271.408 3.839 20 0 CHADMN Cc1cccc([C@H](NCc2cc(C)ncn2)C(C)C)c1 ZINC000527875415 330291152 /nfs/dbraw/zinc/29/11/52/330291152.db2.gz MLADGUDXGYSGEG-QGZVFWFLSA-N 0 1 269.392 3.580 20 0 CHADMN Cc1ccc2sc(CN3CCC4(CCC4)C3)nc2c1 ZINC000528402925 330291410 /nfs/dbraw/zinc/29/14/10/330291410.db2.gz IFWHPPYNLQUZRG-UHFFFAOYSA-N 0 1 272.417 3.981 20 0 CHADMN CCn1ncc(CN[C@@H](c2ccccc2C)C2CCCC2)n1 ZINC000527925043 330296303 /nfs/dbraw/zinc/29/63/03/330296303.db2.gz TXXCKWIYDADVSM-GOSISDBHSA-N 0 1 298.434 3.628 20 0 CHADMN COCCC1CCN([C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000527935158 330297781 /nfs/dbraw/zinc/29/77/81/330297781.db2.gz KJJMUJPHYZIDHC-LBPRGKRZSA-N 0 1 282.815 3.545 20 0 CHADMN Cc1ncccc1CN[C@H](C)c1cnc2ccsc2c1 ZINC000527987544 330298924 /nfs/dbraw/zinc/29/89/24/330298924.db2.gz PJHHDVQGCCVZRH-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1ncccc1CN[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000527988543 330298986 /nfs/dbraw/zinc/29/89/86/330298986.db2.gz TWPDOBWDISCVSA-AWEZNQCLSA-N 0 1 284.407 3.552 20 0 CHADMN Cc1ncccc1CN[C@@H](C)c1cc(F)cc(F)c1 ZINC000527989114 330299157 /nfs/dbraw/zinc/29/91/57/330299157.db2.gz XTOVQYAYPPJGDY-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN CC[C@@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccn(C)n1 ZINC000527991214 330299245 /nfs/dbraw/zinc/29/92/45/330299245.db2.gz IFFOTBYRBGNJCJ-CABCVRRESA-N 0 1 289.810 3.802 20 0 CHADMN C[C@H](N[C@@H](c1ccccn1)C1CCC1)c1ccoc1 ZINC000527962409 330300708 /nfs/dbraw/zinc/30/07/08/330300708.db2.gz DNLCXTUMTZMWPL-BLLLJJGKSA-N 0 1 256.349 3.867 20 0 CHADMN Cc1cccc([C@@H](N[C@@H](C)c2cnccn2)C(C)C)c1 ZINC000528008502 330303596 /nfs/dbraw/zinc/30/35/96/330303596.db2.gz GRPRBNUJKUFFQC-YOEHRIQHSA-N 0 1 269.392 3.833 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnccn1)c1cc(C)ccc1C ZINC000528022517 330304808 /nfs/dbraw/zinc/30/48/08/330304808.db2.gz ZKRITPKSYZFDEK-GOEBONIOSA-N 0 1 269.392 3.895 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccncn1)c1cc(C)ccc1C ZINC000528022281 330304835 /nfs/dbraw/zinc/30/48/35/330304835.db2.gz WFELKAVUIJCJIC-GOEBONIOSA-N 0 1 269.392 3.895 20 0 CHADMN COc1ccc([C@H](N[C@@H]2CCCc3occc32)C2CC2)cn1 ZINC000528045424 330306019 /nfs/dbraw/zinc/30/60/19/330306019.db2.gz YSCNNAZWZZTMAC-CRAIPNDOSA-N 0 1 298.386 3.802 20 0 CHADMN Cc1cc(-c2noc([C@@H]3[C@@H](C)[C@@H]3C3CC3)n2)cc2nc[nH]c21 ZINC000528132668 330308841 /nfs/dbraw/zinc/30/88/41/330308841.db2.gz OBGBVVGFAUWNQY-CUOATXAZSA-N 0 1 294.358 3.681 20 0 CHADMN CC(C)n1cncc1CN[C@@H](CC(F)F)c1ccccc1 ZINC000424169074 330310456 /nfs/dbraw/zinc/31/04/56/330310456.db2.gz JCLDTFJTMRSAON-HNNXBMFYSA-N 0 1 293.361 3.950 20 0 CHADMN C[C@@H](N[C@H]1CCCOc2ccc(F)cc21)c1ccoc1 ZINC000536877533 330310898 /nfs/dbraw/zinc/31/08/98/330310898.db2.gz PFCPYENTKNCSRB-ABAIWWIYSA-N 0 1 275.323 3.983 20 0 CHADMN CCOC1CC(N(C)Cc2nc3cc(C)ccc3s2)C1 ZINC000528501370 330318105 /nfs/dbraw/zinc/31/81/05/330318105.db2.gz FOYBIZWZLCSSIQ-UHFFFAOYSA-N 0 1 290.432 3.604 20 0 CHADMN C/C(Cl)=C\CN1CCC([C@H](O)c2ccccc2C)CC1 ZINC000528501740 330318312 /nfs/dbraw/zinc/31/83/12/330318312.db2.gz DBZRTCKJBJJDLN-VRXKTSEUSA-N 0 1 293.838 3.883 20 0 CHADMN C/C(Cl)=C/CN1CC=C(c2ccc(O)cc2)CC1 ZINC000528338770 330319522 /nfs/dbraw/zinc/31/95/22/330319522.db2.gz HZNBJTAQYWFXPP-SDQBBNPISA-N 0 1 263.768 3.624 20 0 CHADMN COc1ccc([C@H]2CCCN2C/C=C(\C)Cl)cc1OC ZINC000528340159 330319577 /nfs/dbraw/zinc/31/95/77/330319577.db2.gz JLXUQRMUWGDCST-CEFACKQISA-N 0 1 295.810 3.983 20 0 CHADMN C[C@H]1CCC[C@H](N(C)Cc2ncccc2Cl)C1 ZINC000528354576 330321620 /nfs/dbraw/zinc/32/16/20/330321620.db2.gz WHMZBKQBBRSPCB-RYUDHWBXSA-N 0 1 252.789 3.746 20 0 CHADMN CSc1cccc(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C)c1 ZINC000532957754 330323004 /nfs/dbraw/zinc/32/30/04/330323004.db2.gz WWKCUYCBTKZACL-LBPRGKRZSA-N 0 1 294.464 3.713 20 0 CHADMN Cc1ccc(NS(=O)(=O)c2ccc(C)cc2F)c(C)c1 ZINC000105386358 330325270 /nfs/dbraw/zinc/32/52/70/330325270.db2.gz VYNDVGRHVUOJQP-UHFFFAOYSA-N 0 1 293.363 3.552 20 0 CHADMN Fc1ccc(F)c(CNCC2=Cc3ccccc3OC2)c1 ZINC000105496147 330326679 /nfs/dbraw/zinc/32/66/79/330326679.db2.gz WILUKVSODSYGJA-UHFFFAOYSA-N 0 1 287.309 3.530 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(C)cc2)C2CC2)on1 ZINC000044299601 330327415 /nfs/dbraw/zinc/32/74/15/330327415.db2.gz IDKBDMLSWZYPBC-INIZCTEOSA-N 0 1 256.349 3.532 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc3ccccc32)on1 ZINC000044299420 330327442 /nfs/dbraw/zinc/32/74/42/330327442.db2.gz STVXUYBGKAZPLJ-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1 ZINC000424272344 330333302 /nfs/dbraw/zinc/33/33/02/330333302.db2.gz QJVHIHIQALWOHN-PBHICJAKSA-N 0 1 289.419 3.570 20 0 CHADMN O[C@@H]1CC[C@H]1N[C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000424309401 330338228 /nfs/dbraw/zinc/33/82/28/330338228.db2.gz APXHFMVUBFPWLS-IWSPIJDZSA-N 0 1 292.231 3.545 20 0 CHADMN COc1ccc([C@@H](C)NCc2scnc2C)c(Cl)c1 ZINC000424314561 330339124 /nfs/dbraw/zinc/33/91/24/330339124.db2.gz ORAUPANZYISVBH-SECBINFHSA-N 0 1 296.823 3.964 20 0 CHADMN COc1ccc([C@@H](C)N[C@H]2CC23CC3)c(Br)c1 ZINC000424320015 330340037 /nfs/dbraw/zinc/34/00/37/330340037.db2.gz IOQJSFKBHRTWIZ-RNCFNFMXSA-N 0 1 296.208 3.661 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)[C@H]1c1nc(C2(N)CCCCC2)no1 ZINC000424339313 330343931 /nfs/dbraw/zinc/34/39/31/330343931.db2.gz CLWFQMAEPSKDEM-SNPRPXQTSA-N 0 1 297.402 3.705 20 0 CHADMN Cc1ccc(/C=C/c2nc(C3(N)CCCCC3)no2)cc1 ZINC000424340092 330343959 /nfs/dbraw/zinc/34/39/59/330343959.db2.gz ROSVKNAIUCGHTP-MDZDMXLPSA-N 0 1 283.375 3.667 20 0 CHADMN COC(=O)c1ccc([C@@H](C)N2CCCc3ccccc3C2)o1 ZINC000106886863 330344395 /nfs/dbraw/zinc/34/43/95/330344395.db2.gz ALVBAUIFTUVJKA-CYBMUJFWSA-N 0 1 299.370 3.576 20 0 CHADMN CCC[C@](C)(CC)c1nc(C2(N)CCCCC2)no1 ZINC000424348276 330344997 /nfs/dbraw/zinc/34/49/97/330344997.db2.gz UCFUDKKXSIIWFF-AWEZNQCLSA-N 0 1 265.401 3.656 20 0 CHADMN CCc1cc(-c2nc(C3(N)CCCCC3)no2)oc1CC ZINC000424343027 330346168 /nfs/dbraw/zinc/34/61/68/330346168.db2.gz IVBCDTNUONZMAG-UHFFFAOYSA-N 0 1 289.379 3.573 20 0 CHADMN CCCCN(CCCC)Cc1nccn1C(C)C ZINC000107298462 330348666 /nfs/dbraw/zinc/34/86/66/330348666.db2.gz SXUBMTVTOYAJRD-UHFFFAOYSA-N 0 1 251.418 3.866 20 0 CHADMN Cc1nc(C)c(CN[C@@H](C)c2ccccc2F)s1 ZINC000080692739 330349443 /nfs/dbraw/zinc/34/94/43/330349443.db2.gz VZJMKGVJLGAFTP-VIFPVBQESA-N 0 1 264.369 3.750 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000424414362 330350616 /nfs/dbraw/zinc/35/06/16/330350616.db2.gz HJQNRTQTIKZZOD-IIAWOOMASA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)C1CCC(C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])CC1 ZINC000424417556 330350749 /nfs/dbraw/zinc/35/07/49/330350749.db2.gz MDZPUVPXMAEMQZ-LMPOIIKSSA-N 0 1 281.440 3.634 20 0 CHADMN c1nnc(-c2ccccc2OCc2cc3ccccc3o2)[nH]1 ZINC000533165063 330351647 /nfs/dbraw/zinc/35/16/47/330351647.db2.gz DLHRPBXUAXBWPV-UHFFFAOYSA-N 0 1 291.310 3.797 20 0 CHADMN Cc1cccc(CN(C)[C@H](C)C(=O)Nc2ccccc2C)c1 ZINC000533241584 330354483 /nfs/dbraw/zinc/35/44/83/330354483.db2.gz LUVUCXAFONEDQT-MRXNPFEDSA-N 0 1 296.414 3.762 20 0 CHADMN CCCCN(Cc1nc(C)c2ccccc2n1)C1CC1 ZINC000533242820 330354954 /nfs/dbraw/zinc/35/49/54/330354954.db2.gz AYFXIPMCRYNEOJ-UHFFFAOYSA-N 0 1 269.392 3.703 20 0 CHADMN C[C@@H](c1cccc2ccccc21)N(C)Cc1cc[nH]n1 ZINC000533297634 330357283 /nfs/dbraw/zinc/35/72/83/330357283.db2.gz ASWDQNFRJKWRRK-ZDUSSCGKSA-N 0 1 265.360 3.756 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCC(=O)[O-] ZINC000083662797 330358672 /nfs/dbraw/zinc/35/86/72/330358672.db2.gz ZVLOZAASRARSLU-ZDUSSCGKSA-N 0 1 269.772 3.588 20 0 CHADMN Fc1ccc(CN[C@@H]2CSc3ccccc32)cc1 ZINC000083748810 330359220 /nfs/dbraw/zinc/35/92/20/330359220.db2.gz MKKWHFSYWCOOFW-CQSZACIVSA-N 0 1 259.349 3.762 20 0 CHADMN CCOCc1ccccc1CNCc1cc(C)ccc1F ZINC000116912862 330361317 /nfs/dbraw/zinc/36/13/17/330361317.db2.gz LEZFLNNXZFHCRQ-UHFFFAOYSA-N 0 1 287.378 3.960 20 0 CHADMN CC[C@@H]1CCCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000117343129 330364762 /nfs/dbraw/zinc/36/47/62/330364762.db2.gz OUQAHJOPOMHZQT-GFCCVEGCSA-N 0 1 291.420 3.810 20 0 CHADMN Cc1c([C@@H](C)N[C@@H](C)c2ccc(Cl)c(F)c2)cnn1C ZINC000212728779 330367179 /nfs/dbraw/zinc/36/71/79/330367179.db2.gz UMKQOMSGINOENJ-VHSXEESVSA-N 0 1 295.789 3.933 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(Cl)c(F)c2)cn1 ZINC000212822533 330368048 /nfs/dbraw/zinc/36/80/48/330368048.db2.gz GRMNGRWSIRRCDE-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN C[N@@H+](CCCc1ccc(Cl)cc1)Cc1cccnc1 ZINC000119066603 330369666 /nfs/dbraw/zinc/36/96/66/330369666.db2.gz LZHQZJOOZKVTJF-UHFFFAOYSA-N 0 1 274.795 3.800 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])[C@H](C)c1ccc(Cl)cc1Cl ZINC000086775806 330370811 /nfs/dbraw/zinc/37/08/11/330370811.db2.gz LEGLRMPVLXVIQE-SECBINFHSA-N 0 1 290.190 3.851 20 0 CHADMN Fc1ccc2nc(C[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)oc2c1 ZINC000119667986 330378304 /nfs/dbraw/zinc/37/83/04/330378304.db2.gz HROJPSUTZIRAGY-TXEJJXNPSA-N 0 1 274.339 3.589 20 0 CHADMN Cc1cc(-c2noc(CN3CCCC[C@@H]3C)n2)ccc1F ZINC000119762836 330379568 /nfs/dbraw/zinc/37/95/68/330379568.db2.gz XQCNHDAJTWPVGX-LBPRGKRZSA-N 0 1 289.354 3.559 20 0 CHADMN C[C@@]1(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)C[C@@H]1F ZINC000424587629 330391381 /nfs/dbraw/zinc/39/13/81/330391381.db2.gz AJTOFQFPWXMKMV-XJKSGUPXSA-N 0 1 299.305 3.510 20 0 CHADMN Cc1ncc([C@H](C)N[C@H]2CCCc3occc32)s1 ZINC000090402472 330392432 /nfs/dbraw/zinc/39/24/32/330392432.db2.gz COEAVTLYZYMIMO-CABZTGNLSA-N 0 1 262.378 3.773 20 0 CHADMN CC[C@@H]1CCCC[C@H]1N(C)Cc1nnc(C(C)C)o1 ZINC000120839829 330392945 /nfs/dbraw/zinc/39/29/45/330392945.db2.gz XEPBANFHJNSLTR-CHWSQXEVSA-N 0 1 265.401 3.594 20 0 CHADMN CCO[C@H](C)c1noc(CN(C)[C@H]2CCCC[C@@H]2CC)n1 ZINC000120905406 330393990 /nfs/dbraw/zinc/39/39/90/330393990.db2.gz USFYUXNPBSPQLU-RDBSUJKOSA-N 0 1 295.427 3.568 20 0 CHADMN Cc1ccc(OC2CCN(Cc3cccc(O)c3)CC2)cc1 ZINC000091673435 330401998 /nfs/dbraw/zinc/40/19/98/330401998.db2.gz LOLYVMQZSFNPSA-UHFFFAOYSA-N 0 1 297.398 3.744 20 0 CHADMN CCCCO[C@@H]1C[C@H](N[C@@H](C)c2nccs2)C1(C)C ZINC000091733117 330402637 /nfs/dbraw/zinc/40/26/37/330402637.db2.gz SKDKZGIHUPZVQD-RWMBFGLXSA-N 0 1 282.453 3.778 20 0 CHADMN CC(C)=CCNC1(c2ccc(F)cc2F)CCC1 ZINC000537156516 330408277 /nfs/dbraw/zinc/40/82/77/330408277.db2.gz OAAFQTVVLGAJIX-UHFFFAOYSA-N 0 1 251.320 3.900 20 0 CHADMN Oc1ccc(Br)c(CN[C@@H]2CC23CCCC3)c1 ZINC000315170537 330472818 /nfs/dbraw/zinc/47/28/18/330472818.db2.gz WMIDSWIKSDXBNX-CYBMUJFWSA-N 0 1 296.208 3.577 20 0 CHADMN COc1ccc([C@H](C)NCc2oc(C(C)C)nc2C)cc1 ZINC000428288880 330519243 /nfs/dbraw/zinc/51/92/43/330519243.db2.gz HZWLMEIBXPJRTL-LBPRGKRZSA-N 0 1 288.391 3.966 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H](c2ccccc2)C(C)C)cn1 ZINC000428469940 330526151 /nfs/dbraw/zinc/52/61/51/330526151.db2.gz XLSPFJGGYFYARA-PBHICJAKSA-N 0 1 269.392 3.833 20 0 CHADMN CC[C@@H]1CCC[C@@H]1NCc1ncc(C(C)(C)C)o1 ZINC000429772735 330554609 /nfs/dbraw/zinc/55/46/09/330554609.db2.gz XTKZLZBHCCAZCR-NEPJUHHUSA-N 0 1 250.386 3.640 20 0 CHADMN FC1(F)CCC12CN(Cc1ccc3c(c1)CCCC3)C2 ZINC000430083409 330558865 /nfs/dbraw/zinc/55/88/65/330558865.db2.gz VZPVVYWWMUOZCZ-UHFFFAOYSA-N 0 1 277.358 3.797 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1ccc2c(n1)CCCC2 ZINC000435884127 330664500 /nfs/dbraw/zinc/66/45/00/330664500.db2.gz OGJUDWFHWSWVTM-LJQANCHMSA-N 0 1 296.389 3.877 20 0 CHADMN CC(C)c1cccnc1NC(=O)c1ccc(Cl)cc1O ZINC000436607655 330681474 /nfs/dbraw/zinc/68/14/74/330681474.db2.gz OWYIZZJNILGINB-UHFFFAOYSA-N 0 1 290.750 3.816 20 0 CHADMN CCc1nc(C)c(NC(=O)c2cc(Cl)ccc2O)s1 ZINC000436639002 330681917 /nfs/dbraw/zinc/68/19/17/330681917.db2.gz AWPYKTNPYTWCNN-UHFFFAOYSA-N 0 1 296.779 3.625 20 0 CHADMN CCCc1nc(C)c(NC(=O)c2c(O)cccc2F)s1 ZINC000436681060 330682694 /nfs/dbraw/zinc/68/26/94/330682694.db2.gz QCGXQWQEIAFKBO-UHFFFAOYSA-N 0 1 294.351 3.501 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)C(=O)c1c(O)cccc1F ZINC000436796783 330685363 /nfs/dbraw/zinc/68/53/63/330685363.db2.gz CFLOKRZWWHPLNI-QBFSEMIESA-N 0 1 299.345 3.707 20 0 CHADMN CC(C)c1cc(C(=O)Nc2cc(F)cc(Cl)c2O)no1 ZINC000436909082 330688305 /nfs/dbraw/zinc/68/83/05/330688305.db2.gz XRKKPJLUOSFFID-UHFFFAOYSA-N 0 1 298.701 3.548 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1C(=O)c1c(O)cccc1F ZINC000436978445 330690199 /nfs/dbraw/zinc/69/01/99/330690199.db2.gz VHXFQTIVHNZLTL-AWEZNQCLSA-N 0 1 299.345 3.508 20 0 CHADMN C[C@@H]1CC[C@@H]1N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000438073171 330714954 /nfs/dbraw/zinc/71/49/54/330714954.db2.gz KITUKFIKYDNWLJ-BYCMXARLSA-N 0 1 289.810 3.551 20 0 CHADMN CCc1nnc([C@@H](C)NCC2(c3ccccc3)CCCC2)o1 ZINC000439556452 330740458 /nfs/dbraw/zinc/74/04/58/330740458.db2.gz FPPDHYJTCVSSCK-CQSZACIVSA-N 0 1 299.418 3.795 20 0 CHADMN Fc1cc(Cl)cc(CN2CCC([C@H]3CCCO3)CC2)c1 ZINC000439785066 330743136 /nfs/dbraw/zinc/74/31/36/330743136.db2.gz XWGSTNUIOYYPDZ-MRXNPFEDSA-N 0 1 297.801 3.870 20 0 CHADMN CC[C@@H](F)CN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000440532459 330750270 /nfs/dbraw/zinc/75/02/70/330750270.db2.gz OSNHWOUJTMQTRV-WCQYABFASA-N 0 1 293.361 3.719 20 0 CHADMN CCOc1ccccc1[C@@H](CC)NC[C@H](F)CC ZINC000440779113 330756277 /nfs/dbraw/zinc/75/62/77/330756277.db2.gz CXKMJGOFPYTBIB-TZMCWYRMSA-N 0 1 253.361 3.874 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@@H](CO)c1ccccc1 ZINC000442787539 330783453 /nfs/dbraw/zinc/78/34/53/330783453.db2.gz YPRRTKIXHBBYTP-CJNGLKHVSA-N 0 1 287.428 3.793 20 0 CHADMN Cc1ccc(C)c(Cc2noc(CN3[C@H](C)CC[C@H]3C)n2)c1 ZINC000443213332 330796914 /nfs/dbraw/zinc/79/69/14/330796914.db2.gz HEPDXAMCZUZPMX-HUUCEWRRSA-N 0 1 299.418 3.650 20 0 CHADMN Cc1cc(C)cc(Cc2noc(CN3[C@H](C)CC[C@H]3C)n2)c1 ZINC000443229874 330797505 /nfs/dbraw/zinc/79/75/05/330797505.db2.gz ZZAZWPFTGAZRJV-HUUCEWRRSA-N 0 1 299.418 3.650 20 0 CHADMN Cc1cc(N2CCOC[C@H]2C)c2cc(Cl)cc(C)c2n1 ZINC000443960669 330807980 /nfs/dbraw/zinc/80/79/80/330807980.db2.gz KBTOSIRVXFMFTO-GFCCVEGCSA-N 0 1 290.794 3.730 20 0 CHADMN Fc1cc(CNCc2ccoc2)cc(C(F)(F)F)c1 ZINC000158089614 330815028 /nfs/dbraw/zinc/81/50/28/330815028.db2.gz WUEJDNKASOHUSC-UHFFFAOYSA-N 0 1 273.229 3.727 20 0 CHADMN C[C@H]1OCC[C@@]1(C)NCc1nc(C2CCCCC2)cs1 ZINC000444710060 330821093 /nfs/dbraw/zinc/82/10/93/330821093.db2.gz UFRLWYKXWTXZAE-MLGOLLRUSA-N 0 1 294.464 3.848 20 0 CHADMN C=Cn1cc(CNC(c2ccccc2)c2ccccc2)cn1 ZINC000194342371 330841688 /nfs/dbraw/zinc/84/16/88/330841688.db2.gz GNDGKBUHQCSWAC-UHFFFAOYSA-N 0 1 289.382 3.863 20 0 CHADMN C=Cn1cc(CN[C@@H](C)c2ccc(C(F)(F)F)cc2)cn1 ZINC000194347975 330841883 /nfs/dbraw/zinc/84/18/83/330841883.db2.gz JBSQQRTVPWIEJW-NSHDSACASA-N 0 1 295.308 3.853 20 0 CHADMN CC[C@H](NCc1ccc(F)cn1)c1cccc(F)c1 ZINC000446931181 330858257 /nfs/dbraw/zinc/85/82/57/330858257.db2.gz POOHWTVIKMEYTM-HNNXBMFYSA-N 0 1 262.303 3.601 20 0 CHADMN COC(=O)c1coc([C@H](C)N[C@H]2c3ccccc3C[C@H]2C)c1 ZINC000447572941 330870560 /nfs/dbraw/zinc/87/05/60/330870560.db2.gz FFANTNOIUXZUBB-BWACUDIHSA-N 0 1 299.370 3.650 20 0 CHADMN CCCCn1cc(CN[C@H]2CCCc3occc32)c(C)n1 ZINC000447574143 330870679 /nfs/dbraw/zinc/87/06/79/330870679.db2.gz LMGDWGWWDGVOOG-INIZCTEOSA-N 0 1 287.407 3.752 20 0 CHADMN CC1(c2nc(-c3ccn4cncc4c3)no2)CCCCCC1 ZINC000447948278 330880931 /nfs/dbraw/zinc/88/09/31/330880931.db2.gz MQWCVEPRQZXQRD-UHFFFAOYSA-N 0 1 296.374 3.996 20 0 CHADMN CCc1ccc(CNCc2ccnn2C2CCCC2)s1 ZINC000449075651 330897286 /nfs/dbraw/zinc/89/72/86/330897286.db2.gz FTCRWSWIYHWDIQ-UHFFFAOYSA-N 0 1 289.448 3.912 20 0 CHADMN CC[C@@H](CC(C)C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000449075790 330897388 /nfs/dbraw/zinc/89/73/88/330897388.db2.gz SASQASTVUCGQDI-UONOGXRCSA-N 0 1 296.480 3.539 20 0 CHADMN Cc1ccccc1[C@@H](N)C(=O)Nc1cccc2c1CCCC2 ZINC000449080869 330897806 /nfs/dbraw/zinc/89/78/06/330897806.db2.gz ZXOWIFVAORMZTD-GOSISDBHSA-N 0 1 294.398 3.512 20 0 CHADMN CCOc1ccc(CNCc2cccc(C)c2F)cc1 ZINC000449095997 330898712 /nfs/dbraw/zinc/89/87/12/330898712.db2.gz DDSFHFMFWYHGOI-UHFFFAOYSA-N 0 1 273.351 3.823 20 0 CHADMN C[C@@H](Cc1coc2ccccc12)NCc1cscn1 ZINC000449106820 330899474 /nfs/dbraw/zinc/89/94/74/330899474.db2.gz KBPMVMOYNOSUSJ-NSHDSACASA-N 0 1 272.373 3.610 20 0 CHADMN CC(C)COC[C@@H](N[C@H](C)Cc1ccoc1)c1ccco1 ZINC000449108551 330899476 /nfs/dbraw/zinc/89/94/76/330899476.db2.gz RTABUQSFVPRCJH-GDBMZVCRSA-N 0 1 291.391 3.807 20 0 CHADMN Cc1cnc([C@@H](C)NC[C@H](C)c2cc(F)cc(F)c2)o1 ZINC000449224119 330907322 /nfs/dbraw/zinc/90/73/22/330907322.db2.gz HKIGUZLAJGSLID-GXSJLCMTSA-N 0 1 280.318 3.716 20 0 CHADMN COc1cc2ccccc2cc1CNC(C)(C)CF ZINC000449247344 330909568 /nfs/dbraw/zinc/90/95/68/330909568.db2.gz FMQBVFDWJBVDBZ-UHFFFAOYSA-N 0 1 261.340 3.686 20 0 CHADMN CCCOc1ccc(CNCc2ccncc2F)c(C)c1 ZINC000449279401 330911359 /nfs/dbraw/zinc/91/13/59/330911359.db2.gz PXEARVPEZUVYNN-UHFFFAOYSA-N 0 1 288.366 3.608 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccc3c2OCO3)ccc1F ZINC000449372064 330919690 /nfs/dbraw/zinc/91/96/90/330919690.db2.gz BVWKJAOKTVYTJF-GFCCVEGCSA-N 0 1 287.334 3.714 20 0 CHADMN Cc1ncc(CN2CC(c3ccc(Cl)cc3)C2)s1 ZINC000449558300 330936439 /nfs/dbraw/zinc/93/64/39/330936439.db2.gz WQDMAAFIQLHEHT-UHFFFAOYSA-N 0 1 278.808 3.704 20 0 CHADMN CCCc1ncc(CN[C@H]2c3cc(C)ccc3C[C@H]2C)o1 ZINC000449610510 330939487 /nfs/dbraw/zinc/93/94/87/330939487.db2.gz GZBMOWRDHCAFFG-FZKQIMNGSA-N 0 1 284.403 3.959 20 0 CHADMN CCO[C@@H]1CCN(c2ccnc3cc(F)ccc32)C[C@H]1C ZINC000450742663 330997365 /nfs/dbraw/zinc/99/73/65/330997365.db2.gz CKJOTRRGWFEUPZ-SJKOYZFVSA-N 0 1 288.366 3.625 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@H]1N[C@@H](C)c1csnn1 ZINC000450821484 331001112 /nfs/dbraw/zinc/00/11/12/331001112.db2.gz QZTPPERUYLITTA-RWMBFGLXSA-N 0 1 267.442 3.794 20 0 CHADMN C(=C\c1ccccc1)\CCN1CCc2ncsc2C1 ZINC000450824903 331001394 /nfs/dbraw/zinc/00/13/94/331001394.db2.gz FSAFVJFBNFAYEQ-YWEYNIOJSA-N 0 1 270.401 3.605 20 0 CHADMN C[C@H](NCCC(C)(F)F)c1nc(C(F)(F)F)cs1 ZINC000450869255 331003907 /nfs/dbraw/zinc/00/39/07/331003907.db2.gz BCOWNZOXPMILHK-LURJTMIESA-N 0 1 288.285 3.858 20 0 CHADMN Cc1nccc(N2CCC[C@@]3(CCSC3)C2)c1Cl ZINC000450897371 331005753 /nfs/dbraw/zinc/00/57/53/331005753.db2.gz APVTYTUVORYXEV-CQSZACIVSA-N 0 1 282.840 3.767 20 0 CHADMN Cc1noc([C@H]2CCCCN2CCC2=CCCCC2)n1 ZINC000450988793 331010561 /nfs/dbraw/zinc/01/05/61/331010561.db2.gz CFRMBVYAQNCYRB-OAHLLOKOSA-N 0 1 275.396 3.796 20 0 CHADMN CC(C)c1nnc(CN2CC(C)(C)[C@H]3CCC[C@H]32)s1 ZINC000451073497 331014976 /nfs/dbraw/zinc/01/49/76/331014976.db2.gz KPRJUJGRPSSZKY-NWDGAFQWSA-N 0 1 279.453 3.672 20 0 CHADMN CC[C@H](CC(F)(F)F)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000451132727 331016906 /nfs/dbraw/zinc/01/69/06/331016906.db2.gz YAXJVAQSVJFXDP-SECBINFHSA-N 0 1 299.296 3.788 20 0 CHADMN COC(C)(C)CCN1CCc2c(Cl)cc(F)cc2C1 ZINC000451160771 331018170 /nfs/dbraw/zinc/01/81/70/331018170.db2.gz IIHFQNZSGSHOLB-UHFFFAOYSA-N 0 1 285.790 3.652 20 0 CHADMN CC(C)c1nnc(C[N@H+]2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)[nH]1 ZINC000451188501 331019509 /nfs/dbraw/zinc/01/95/09/331019509.db2.gz QITRLDHUCJTGAO-FMKPAKJESA-N 0 1 298.434 3.695 20 0 CHADMN CC(C)c1nnc(CN2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)[nH]1 ZINC000451188501 331019510 /nfs/dbraw/zinc/01/95/10/331019510.db2.gz QITRLDHUCJTGAO-FMKPAKJESA-N 0 1 298.434 3.695 20 0 CHADMN CCO[C@H](C)c1noc(CN2CCC[C@@]2(C)CC(C)C)n1 ZINC000451294292 331023585 /nfs/dbraw/zinc/02/35/85/331023585.db2.gz XHZAGPLRNKSRMT-CJNGLKHVSA-N 0 1 295.427 3.568 20 0 CHADMN CS[C@H]1CCN([C@H](C)c2cccc(Cl)c2F)C1 ZINC000451321323 331024372 /nfs/dbraw/zinc/02/43/72/331024372.db2.gz CMYKHXDZCSTIBX-ZJUUUORDSA-N 0 1 273.804 3.977 20 0 CHADMN CCO[C@@H]1CCN([C@H](C)c2cc(F)ccc2F)C[C@H]1C ZINC000451542243 331033311 /nfs/dbraw/zinc/03/33/11/331033311.db2.gz NBRZRXQQZMRTMU-XHBSWPGZSA-N 0 1 283.362 3.773 20 0 CHADMN CSCCCN1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451877451 331045942 /nfs/dbraw/zinc/04/59/42/331045942.db2.gz IOTWLQLFACUPNG-HNNXBMFYSA-N 0 1 289.448 3.843 20 0 CHADMN C[C@H](F)CCN1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451879679 331046122 /nfs/dbraw/zinc/04/61/22/331046122.db2.gz SCLACDQKVNHBCF-SWLSCSKDSA-N 0 1 275.371 3.838 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC[C@]2(CCOC2)C1 ZINC000451910827 331047103 /nfs/dbraw/zinc/04/71/03/331047103.db2.gz ZAKLOBKEZDEPJQ-WBMJQRKESA-N 0 1 281.346 3.528 20 0 CHADMN CC(C)OCCCN1CCC[C@H]1c1ccc(F)cc1F ZINC000451964932 331048508 /nfs/dbraw/zinc/04/85/08/331048508.db2.gz CDJVESQVQMRGMH-INIZCTEOSA-N 0 1 283.362 3.917 20 0 CHADMN Cc1ccccc1Cc1nnc(CN2[C@@H](C)CCC2(C)C)o1 ZINC000452009887 331050277 /nfs/dbraw/zinc/05/02/77/331050277.db2.gz PZMBVSUBIKNHRU-AWEZNQCLSA-N 0 1 299.418 3.732 20 0 CHADMN Cc1ccccc1-c1nc(CN2[C@@H](C)CCC2(C)C)no1 ZINC000452018448 331050602 /nfs/dbraw/zinc/05/06/02/331050602.db2.gz YCFREZNXWIKWLR-ZDUSSCGKSA-N 0 1 285.391 3.808 20 0 CHADMN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1nc2ccccc2o1 ZINC000452052230 331052344 /nfs/dbraw/zinc/05/23/44/331052344.db2.gz MYWFQRGGPRXZRQ-GZBFAFLISA-N 0 1 288.391 3.826 20 0 CHADMN C[C@H](NCc1nc(C(C)(C)C)no1)[C@H]1CCC[C@@H](C)C1 ZINC000452072039 331052884 /nfs/dbraw/zinc/05/28/84/331052884.db2.gz RYTMELBCQVFZEK-AGIUHOORSA-N 0 1 279.428 3.672 20 0 CHADMN C[C@H](N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1nc(C2CC2)no1 ZINC000452076001 331053092 /nfs/dbraw/zinc/05/30/92/331053092.db2.gz YKQBDUANRMVOMW-OWTLIXCDSA-N 0 1 277.412 3.812 20 0 CHADMN CC(C)(C)C[C@H]1CCN(Cc2nc(-c3ccco3)no2)C1 ZINC000452084233 331053392 /nfs/dbraw/zinc/05/33/92/331053392.db2.gz USJRVKFQNWISRU-GFCCVEGCSA-N 0 1 289.379 3.588 20 0 CHADMN CC(C)=CCC[C@H](C)NC(=O)c1ccc(O)c(Cl)c1 ZINC000452548599 331068297 /nfs/dbraw/zinc/06/82/97/331068297.db2.gz LFHFZQAUBUFMOH-NSHDSACASA-N 0 1 281.783 3.910 20 0 CHADMN C[C@@H](NCCc1ccco1)c1ncc(-c2ccccc2)n1C ZINC000453056044 331085155 /nfs/dbraw/zinc/08/51/55/331085155.db2.gz KOZWFVSAADZSNK-CQSZACIVSA-N 0 1 295.386 3.573 20 0 CHADMN Cc1ccc([C@H](N[C@@H](C)c2ccncn2)C2CC2)cc1 ZINC000453060307 331085417 /nfs/dbraw/zinc/08/54/17/331085417.db2.gz BZTVTXIULKCRHB-GUYCJALGSA-N 0 1 267.376 3.587 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)C1CCC1)c1ccncn1 ZINC000453104168 331089480 /nfs/dbraw/zinc/08/94/80/331089480.db2.gz DULCUXUHUSUBPT-DYVFJYSZSA-N 0 1 267.376 3.669 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@H](C)c2ccncn2)c1 ZINC000453103595 331089483 /nfs/dbraw/zinc/08/94/83/331089483.db2.gz BJHMPJSOWCMJSL-ZIAGYGMSSA-N 0 1 255.365 3.505 20 0 CHADMN C[C@@H]1C[C@@H](NC[C@@H]2SCCc3ccccc32)c2nccn21 ZINC000453139053 331093287 /nfs/dbraw/zinc/09/32/87/331093287.db2.gz RGXJDLWBRIWKBV-WQVCFCJDSA-N 0 1 299.443 3.509 20 0 CHADMN CC(C)COc1ccc([C@H](C)N[C@@H](C)c2ccncn2)cc1 ZINC000453150431 331094593 /nfs/dbraw/zinc/09/45/93/331094593.db2.gz XWMATWZIZIAEMO-GJZGRUSLSA-N 0 1 299.418 3.923 20 0 CHADMN CC[C@H](NCc1ccc(F)cn1)c1ccsc1 ZINC000453154519 331094919 /nfs/dbraw/zinc/09/49/19/331094919.db2.gz WKYQXSDHRBWNFW-ZDUSSCGKSA-N 0 1 250.342 3.523 20 0 CHADMN CC[C@@H](NCc1ccc(F)cn1)c1ccsc1 ZINC000453154518 331094936 /nfs/dbraw/zinc/09/49/36/331094936.db2.gz WKYQXSDHRBWNFW-CYBMUJFWSA-N 0 1 250.342 3.523 20 0 CHADMN CCCCn1cc(CN[C@H](CC)c2ccncc2)c(C)n1 ZINC000453162111 331095872 /nfs/dbraw/zinc/09/58/72/331095872.db2.gz JUKPUVUQEGTBMG-QGZVFWFLSA-N 0 1 286.423 3.628 20 0 CHADMN CC[C@@H](N[C@@H](CC)c1c(C)noc1C)c1ccncc1 ZINC000453181775 331098066 /nfs/dbraw/zinc/09/80/66/331098066.db2.gz QMZMNAUXZSPDKK-CABCVRRESA-N 0 1 273.380 3.878 20 0 CHADMN CCn1ccnc1[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000453185161 331098527 /nfs/dbraw/zinc/09/85/27/331098527.db2.gz XNXCMNNLLGPOOZ-MRXNPFEDSA-N 0 1 297.446 3.919 20 0 CHADMN C[C@@H]1CC[C@@H](N[C@@H](CCO)c2ccco2)c2sccc21 ZINC000453188637 331099051 /nfs/dbraw/zinc/09/90/51/331099051.db2.gz ABLOUYHBHYDAHF-KWCYVHTRSA-N 0 1 291.416 3.993 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@@H](CC)c2ccncc2)n[nH]1 ZINC000453204181 331101131 /nfs/dbraw/zinc/10/11/31/331101131.db2.gz FQHSEDIQKNUZSN-SCRDCRAPSA-N 0 1 287.411 3.515 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H](C)c1c(C)cccc1C ZINC000453206815 331101342 /nfs/dbraw/zinc/10/13/42/331101342.db2.gz YVJXYWOQIDBDND-GJZGRUSLSA-N 0 1 271.408 3.932 20 0 CHADMN Cc1cc([C@@H](C)NC[C@@H]2CSc3ccccc32)no1 ZINC000453215163 331102378 /nfs/dbraw/zinc/10/23/78/331102378.db2.gz FQLCYXHGEBSPFQ-VXGBXAGGSA-N 0 1 274.389 3.523 20 0 CHADMN Cc1cc([C@@H](C)NCC2(c3ccc(C)cc3C)CC2)no1 ZINC000453250947 331107658 /nfs/dbraw/zinc/10/76/58/331107658.db2.gz NCGJMJASJHZCFI-OAHLLOKOSA-N 0 1 284.403 3.982 20 0 CHADMN CC[C@@H](N[C@H](C)[C@@H]1C[C@H]1c1ccccc1)C(F)F ZINC000453254154 331108026 /nfs/dbraw/zinc/10/80/26/331108026.db2.gz XTWZHYFSCKYLSW-VZZFWQQMSA-N 0 1 253.336 3.812 20 0 CHADMN CC[C@@H](NCc1cccc(C(F)(F)F)n1)c1ccncc1 ZINC000453258091 331108363 /nfs/dbraw/zinc/10/83/63/331108363.db2.gz ABNUOPHAIFJCEV-CYBMUJFWSA-N 0 1 295.308 3.736 20 0 CHADMN COC[C@@H](NCc1ccnc(C)c1)c1cccc(Cl)c1 ZINC000453289043 331111661 /nfs/dbraw/zinc/11/16/61/331111661.db2.gz MADSLWISGHCGFL-MRXNPFEDSA-N 0 1 290.794 3.521 20 0 CHADMN CC[C@@H]1CCC[C@H]1CN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000453291182 331111865 /nfs/dbraw/zinc/11/18/65/331111865.db2.gz SKNPUUUVUDXETA-HYVNUMGLSA-N 0 1 283.419 3.915 20 0 CHADMN Cc1cc(CN[C@H](CC(C)C)c2ccccn2)ccn1 ZINC000453293712 331112104 /nfs/dbraw/zinc/11/21/04/331112104.db2.gz PRSVDXGOPHYPSI-QGZVFWFLSA-N 0 1 269.392 3.662 20 0 CHADMN CC(C)(CN[C@H](c1ncc[nH]1)c1ccccc1)C1CCC1 ZINC000453305334 331113892 /nfs/dbraw/zinc/11/38/92/331113892.db2.gz HKUBQWXQOKRJTR-INIZCTEOSA-N 0 1 283.419 3.915 20 0 CHADMN Cc1ccc([C@H](NCc2cnccc2C)C2CCC2)o1 ZINC000453319593 331116069 /nfs/dbraw/zinc/11/60/69/331116069.db2.gz DJJZLTJWTPTEQR-QGZVFWFLSA-N 0 1 270.376 3.922 20 0 CHADMN C[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1cc2c(s1)CCC2 ZINC000453338297 331118751 /nfs/dbraw/zinc/11/87/51/331118751.db2.gz FVPBNPHCAMPRPF-GVXVVHGQSA-N 0 1 287.432 3.790 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cnc(C3CC3)o2)s1 ZINC000453356559 331121728 /nfs/dbraw/zinc/12/17/28/331121728.db2.gz MVEQZZVPKJURGV-SNVBAGLBSA-N 0 1 262.378 3.773 20 0 CHADMN CCc1ncc(CN[C@H](C)c2ccc(C)cc2C)o1 ZINC000453366138 331123339 /nfs/dbraw/zinc/12/33/39/331123339.db2.gz MBEMUDGZJAYURC-CYBMUJFWSA-N 0 1 258.365 3.705 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2ccc3c(c2)CCCC3)o1 ZINC000453367415 331123423 /nfs/dbraw/zinc/12/34/23/331123423.db2.gz MLSLHGMXNXAAKQ-ZDUSSCGKSA-N 0 1 284.403 3.967 20 0 CHADMN CC[C@H](NCc1cnc(C2CC2)o1)c1ccccc1 ZINC000453366644 331123475 /nfs/dbraw/zinc/12/34/75/331123475.db2.gz SFGNBMVOXVFFHB-HNNXBMFYSA-N 0 1 256.349 3.793 20 0 CHADMN CCCc1ncc(CN[C@@H]2CCc3c2cccc3C)o1 ZINC000453392655 331127554 /nfs/dbraw/zinc/12/75/54/331127554.db2.gz RJFVKQFGAMYQHF-MRXNPFEDSA-N 0 1 270.376 3.713 20 0 CHADMN CCCc1ncc(CN[C@@H](C)c2ccc3c(c2)CCC3)o1 ZINC000453396308 331127919 /nfs/dbraw/zinc/12/79/19/331127919.db2.gz UXPKLKFBFKJFFZ-ZDUSSCGKSA-N 0 1 284.403 3.967 20 0 CHADMN FC1(F)CC(CCN[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000453423358 331130746 /nfs/dbraw/zinc/13/07/46/331130746.db2.gz MZSHTCOIMJZUHM-CQSZACIVSA-N 0 1 291.345 3.524 20 0 CHADMN CCC1CN(Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000453606634 331136181 /nfs/dbraw/zinc/13/61/81/331136181.db2.gz FPCBVLDFLBXJMF-UHFFFAOYSA-N 0 1 294.370 3.930 20 0 CHADMN CC/C=C\CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000455018866 331159092 /nfs/dbraw/zinc/15/90/92/331159092.db2.gz FNZJRLSJKJLZLU-ARJAWSKDSA-N 0 1 294.305 3.588 20 0 CHADMN Cc1ccc2nc(CNC(=O)C3=CCC(C)(C)CC3)[nH]c2c1 ZINC000455831699 331178363 /nfs/dbraw/zinc/17/83/63/331178363.db2.gz YGTPZFYHKSELRX-UHFFFAOYSA-N 0 1 297.402 3.624 20 0 CHADMN C[C@H](CC(F)(F)F)C(=O)Nc1cccc(Cl)c1O ZINC000457661378 331230400 /nfs/dbraw/zinc/23/04/00/331230400.db2.gz HALMCYOQKVPERE-ZCFIWIBFSA-N 0 1 281.661 3.573 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CCCCC(C)C)n[nH]1 ZINC000457765140 331233757 /nfs/dbraw/zinc/23/37/57/331233757.db2.gz NDUIKZPSEAYYET-QWHCGFSZSA-N 0 1 294.443 3.712 20 0 CHADMN Fc1cccc([C@@H]2CCCN2CCn2cc(Cl)cn2)c1 ZINC000459306913 331275639 /nfs/dbraw/zinc/27/56/39/331275639.db2.gz QHVFLWLYETZIKG-HNNXBMFYSA-N 0 1 293.773 3.513 20 0 CHADMN c1ccc([C@@H]2CCCN2Cc2cnc(C3CC3)nc2)cc1 ZINC000459319534 331276074 /nfs/dbraw/zinc/27/60/74/331276074.db2.gz WRJOUOQIPLUCKD-KRWDZBQOSA-N 0 1 279.387 3.691 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C3CC3)cc2)cc1O ZINC000459330873 331276649 /nfs/dbraw/zinc/27/66/49/331276649.db2.gz RYLWJIBGKFHVNS-UHFFFAOYSA-N 0 1 297.398 3.910 20 0 CHADMN Clc1ccc2c(c1)CC[C@@H]2NCc1cnc(C2CC2)nc1 ZINC000459389810 331279635 /nfs/dbraw/zinc/27/96/35/331279635.db2.gz HTAPDSZXQRWCCI-INIZCTEOSA-N 0 1 299.805 3.785 20 0 CHADMN c1ccc2cc(CNCc3cnc(C4CC4)nc3)ccc2c1 ZINC000459390986 331279697 /nfs/dbraw/zinc/27/96/97/331279697.db2.gz UGKWVZMLDYWSKR-UHFFFAOYSA-N 0 1 289.382 3.797 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2cnc(C3CC3)nc2)c1 ZINC000459392393 331279802 /nfs/dbraw/zinc/27/98/02/331279802.db2.gz TYRLJJRJFUBSGC-CYBMUJFWSA-N 0 1 297.402 3.604 20 0 CHADMN Cc1cc(CNC(C)(C)Cc2ccccc2Cl)no1 ZINC000459425947 331280871 /nfs/dbraw/zinc/28/08/71/331280871.db2.gz LHWATILXASYHPY-UHFFFAOYSA-N 0 1 278.783 3.747 20 0 CHADMN Cc1ccncc1CN(C)Cc1ccc(C2CC2)cc1 ZINC000459514606 331285622 /nfs/dbraw/zinc/28/56/22/331285622.db2.gz APYNKQBPQPKFRF-UHFFFAOYSA-N 0 1 266.388 3.899 20 0 CHADMN CSc1ccc([C@@H](C)NCc2cnc(C3CC3)nc2)cc1 ZINC000459528765 331286053 /nfs/dbraw/zinc/28/60/53/331286053.db2.gz LNHLEPBBLPSHJJ-GFCCVEGCSA-N 0 1 299.443 3.927 20 0 CHADMN CN(Cc1nc(-c2ccccc2)c[nH]1)CC(C)(C)C ZINC000459571275 331288365 /nfs/dbraw/zinc/28/83/65/331288365.db2.gz CGDRPOMZXBEPRQ-UHFFFAOYSA-N 0 1 257.381 3.555 20 0 CHADMN O[C@H](CN1CC2(CCCC2)[C@H]1c1ccccc1)C(F)(F)F ZINC000459576987 331289077 /nfs/dbraw/zinc/28/90/77/331289077.db2.gz LNEMTUYTSWVSOG-ZIAGYGMSSA-N 0 1 299.336 3.527 20 0 CHADMN COCCC1(C)CN(Cc2cc(C)cc(Cl)c2)C1 ZINC000459629878 331291158 /nfs/dbraw/zinc/29/11/58/331291158.db2.gz FUYSRNTVTOZSSP-UHFFFAOYSA-N 0 1 267.800 3.507 20 0 CHADMN COCCC1(C)CN(Cc2ccc(C(C)(C)C)s2)C1 ZINC000459634893 331291315 /nfs/dbraw/zinc/29/13/15/331291315.db2.gz NQQWNOIRZUTZJS-UHFFFAOYSA-N 0 1 281.465 3.904 20 0 CHADMN CCn1nc(CN2CC(C(C)(C)C)C2)c2ccccc21 ZINC000459635702 331291529 /nfs/dbraw/zinc/29/15/29/331291529.db2.gz GNVFFASBBFDCCC-UHFFFAOYSA-N 0 1 271.408 3.534 20 0 CHADMN CCC1(C)CN(Cc2cc(OC)c(OC)cc2SC)C1 ZINC000459636745 331291531 /nfs/dbraw/zinc/29/15/31/331291531.db2.gz QPFRSPKFVKVJSU-UHFFFAOYSA-N 0 1 295.448 3.658 20 0 CHADMN FC1(F)CC(CN2CCc3cccc(Cl)c3C2)C1 ZINC000459668290 331293241 /nfs/dbraw/zinc/29/32/41/331293241.db2.gz BTMRWGJZLJXCOK-UHFFFAOYSA-N 0 1 271.738 3.743 20 0 CHADMN Cc1cc(CNCC2(Cc3cccc(Cl)c3)CC2)no1 ZINC000459711360 331295371 /nfs/dbraw/zinc/29/53/71/331295371.db2.gz MFVBFFMYMIEKKT-UHFFFAOYSA-N 0 1 290.794 3.749 20 0 CHADMN Cc1cccc(Cl)c1NC(=O)CN(C)C1CC(C)(C)C1 ZINC000459737101 331296943 /nfs/dbraw/zinc/29/69/43/331296943.db2.gz HEDMBECNIPFNIQ-UHFFFAOYSA-N 0 1 294.826 3.707 20 0 CHADMN CC[C@@H]1OCC[C@H]1NCc1csc(-c2cccs2)n1 ZINC000459740071 331297376 /nfs/dbraw/zinc/29/73/76/331297376.db2.gz LNEFWJIBMOBPPD-NEPJUHHUSA-N 0 1 294.445 3.529 20 0 CHADMN CCC1(c2ccccc2)CN(C/C=C\c2ccncc2)C1 ZINC000459740777 331297413 /nfs/dbraw/zinc/29/74/13/331297413.db2.gz CZQSDAGAYXXAKG-SREVYHEPSA-N 0 1 278.399 3.758 20 0 CHADMN Cc1ccc(-c2nnc(CN(C)C3CC(C)(C)C3)o2)cc1 ZINC000459742425 331297506 /nfs/dbraw/zinc/29/75/06/331297506.db2.gz OGCCGNCGDBVFCF-UHFFFAOYSA-N 0 1 285.391 3.665 20 0 CHADMN C[C@@H](NCc1cnc(N(C)C)s1)c1ccc(Cl)cc1 ZINC000459766162 331299414 /nfs/dbraw/zinc/29/94/14/331299414.db2.gz PARCLBDZGQDXCL-SNVBAGLBSA-N 0 1 295.839 3.713 20 0 CHADMN C[C@@H](NCCSc1ccc(Cl)cc1)c1ccn(C)n1 ZINC000459799981 331301582 /nfs/dbraw/zinc/30/15/82/331301582.db2.gz WBWMQDOPDOCGTG-LLVKDONJSA-N 0 1 295.839 3.516 20 0 CHADMN Cc1cc(C[N@@H+]2CC[C@H](C)C3(CCCCC3)C2)no1 ZINC000462456472 331322389 /nfs/dbraw/zinc/32/23/89/331322389.db2.gz QJMCXSCCSLZNJK-ZDUSSCGKSA-N 0 1 262.397 3.775 20 0 CHADMN Cc1cc(CN2CC[C@H](C)C3(CCCCC3)C2)no1 ZINC000462456472 331322390 /nfs/dbraw/zinc/32/23/90/331322390.db2.gz QJMCXSCCSLZNJK-ZDUSSCGKSA-N 0 1 262.397 3.775 20 0 CHADMN CCN(Cc1cc(Cl)ccc1Cl)C[C@@H](C)OC ZINC000462827606 331331620 /nfs/dbraw/zinc/33/16/20/331331620.db2.gz XSTTXXADMVPKAH-SNVBAGLBSA-N 0 1 276.207 3.850 20 0 CHADMN CCCCCC(=O)Nc1cc(C(=O)CC)ccc1O ZINC000462928629 331335273 /nfs/dbraw/zinc/33/52/73/331335273.db2.gz XLLSXGHHYDTMEF-UHFFFAOYSA-N 0 1 263.337 3.504 20 0 CHADMN C[C@H](Nc1cc2c(cn1)CCCC2)c1ccc2c(c1)OCO2 ZINC000462958736 331335936 /nfs/dbraw/zinc/33/59/36/331335936.db2.gz NPKMDKBQZWEVRC-LBPRGKRZSA-N 0 1 296.370 3.862 20 0 CHADMN COc1cc(CN2CC(c3ccccc3F)C2)ccc1C ZINC000463026742 331337488 /nfs/dbraw/zinc/33/74/88/331337488.db2.gz CDOIOSSUPDVNNO-UHFFFAOYSA-N 0 1 285.362 3.742 20 0 CHADMN FCCSc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000463215962 331342424 /nfs/dbraw/zinc/34/24/24/331342424.db2.gz ZCSKWJRKSWJBPR-UHFFFAOYSA-N 0 1 292.166 3.840 20 0 CHADMN CCN(CC(=O)Nc1sc(C)c(C)c1C)CC(C)(C)C ZINC000463361097 331346483 /nfs/dbraw/zinc/34/64/83/331346483.db2.gz MIYZCOIGJNXGLH-UHFFFAOYSA-N 0 1 296.480 3.980 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](c2ccccc2)[C@H]1C)c1ccon1 ZINC000464072536 331356208 /nfs/dbraw/zinc/35/62/08/331356208.db2.gz JFHCTFXDALSKMC-FAXLKDOZSA-N 0 1 256.349 3.517 20 0 CHADMN CC/C=C/CCSc1nc(-c2ccccc2)n[nH]1 ZINC000464569514 331362890 /nfs/dbraw/zinc/36/28/90/331362890.db2.gz XSKPHAOMMAJZHA-ONEGZZNKSA-N 0 1 259.378 3.920 20 0 CHADMN CC[C@]1(C)CCCN(CC(=O)Nc2ccc(C)cc2C)C1 ZINC000464781178 331367880 /nfs/dbraw/zinc/36/78/80/331367880.db2.gz SEJPMYGWODKDJL-GOSISDBHSA-N 0 1 288.435 3.754 20 0 CHADMN CC[C@]1(C)CCCN(Cc2ccn(-c3ccccc3)n2)C1 ZINC000464782550 331368085 /nfs/dbraw/zinc/36/80/85/331368085.db2.gz XWGNHADUBHWXAR-GOSISDBHSA-N 0 1 283.419 3.884 20 0 CHADMN CCC[C@]1(C)CCCN(CC(=O)Nc2ccccc2C)C1 ZINC000464840771 331370379 /nfs/dbraw/zinc/37/03/79/331370379.db2.gz AIJBUPJUVQJVNF-GOSISDBHSA-N 0 1 288.435 3.836 20 0 CHADMN CC[C@H]1CCCCN1Cc1nc2cc(F)ccc2o1 ZINC000464865480 331371931 /nfs/dbraw/zinc/37/19/31/331371931.db2.gz HCCMENMZRNIPPW-LBPRGKRZSA-N 0 1 262.328 3.731 20 0 CHADMN CC(C)C1CCN(Cc2nc3cc(F)ccc3o2)CC1 ZINC000464885022 331372789 /nfs/dbraw/zinc/37/27/89/331372789.db2.gz JYMTYLBQFLYSTC-UHFFFAOYSA-N 0 1 276.355 3.835 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)CC[C@H]3C)n[nH]2)cc1 ZINC000464948876 331374238 /nfs/dbraw/zinc/37/42/38/331374238.db2.gz BNBMVURSKMVODX-UONOGXRCSA-N 0 1 297.402 3.646 20 0 CHADMN CO[C@]1(C)C[C@H](N[C@@H](C)c2c(F)cccc2F)C1(C)C ZINC000465414343 331382804 /nfs/dbraw/zinc/38/28/04/331382804.db2.gz SRSLGPQQQFDVFO-YNZJMPHRSA-N 0 1 283.362 3.819 20 0 CHADMN Cc1ccc2nc(CN[C@H](C)c3cccc(F)c3)[nH]c2c1 ZINC000465413857 331382842 /nfs/dbraw/zinc/38/28/42/331382842.db2.gz RYUNFZWGDBFTIS-GFCCVEGCSA-N 0 1 283.350 3.861 20 0 CHADMN CC/C=C/CCN1CCO[C@]2(CCc3ccccc32)C1 ZINC000466215417 331391022 /nfs/dbraw/zinc/39/10/22/331391022.db2.gz DLTIJHDFGGKYDI-OAJJDEHYSA-N 0 1 271.404 3.517 20 0 CHADMN Cc1ccc(CN[C@@H]2COc3ccc(F)cc32)cc1C ZINC000466472988 331398074 /nfs/dbraw/zinc/39/80/74/331398074.db2.gz IDZVEHJNVWYHOK-MRXNPFEDSA-N 0 1 271.335 3.666 20 0 CHADMN CC/C=C\CCN[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000467194000 331412101 /nfs/dbraw/zinc/41/21/01/331412101.db2.gz IGPXIRCPTXXQRP-QMAVJUDZSA-N 0 1 289.354 3.883 20 0 CHADMN CC(C)(CF)NCc1ccc(-c2ccccc2F)o1 ZINC000472145276 331530190 /nfs/dbraw/zinc/53/01/90/331530190.db2.gz DYKRJZQXHYSDGG-UHFFFAOYSA-N 0 1 265.303 3.923 20 0 CHADMN Fc1ccc(Br)c(CN2CCCCCC2)c1 ZINC000303245328 332921357 /nfs/dbraw/zinc/92/13/57/332921357.db2.gz LNWPKXFJOYEKBA-UHFFFAOYSA-N 0 1 286.188 3.964 20 0 CHADMN CC[C@H]1CC[C@H](NC(=O)c2sccc2CN(C)C)CC1 ZINC000479534760 331735768 /nfs/dbraw/zinc/73/57/68/331735768.db2.gz UWEYNVVDNIAENO-MQMHXKEQSA-N 0 1 294.464 3.508 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CCC[C@@H](C)C1 ZINC000479853191 331748594 /nfs/dbraw/zinc/74/85/94/331748594.db2.gz PGODSAZXCODLOZ-LLVKDONJSA-N 0 1 274.339 3.619 20 0 CHADMN COc1cccc(CNCc2c(C)c(C)c(C)c(C)c2C)n1 ZINC000480303559 331767220 /nfs/dbraw/zinc/76/72/20/331767220.db2.gz BXVLWRNPQCEMNP-UHFFFAOYSA-N 0 1 298.430 3.922 20 0 CHADMN CCC(CC)c1cc(CN[C@H](COC)CC(C)C)on1 ZINC000483737313 331883813 /nfs/dbraw/zinc/88/38/13/331883813.db2.gz UIPHKFKDNDTCOH-AWEZNQCLSA-N 0 1 282.428 3.729 20 0 CHADMN COc1ccccc1/C=C/CN1CC2(C1)CCCC2 ZINC000485299612 331911528 /nfs/dbraw/zinc/91/15/28/331911528.db2.gz GYATYFXCQJEVNL-SOFGYWHQSA-N 0 1 257.377 3.584 20 0 CHADMN COc1ccc(CNCc2cc(F)cc(Cl)c2)cc1F ZINC000485716534 331922049 /nfs/dbraw/zinc/92/20/49/331922049.db2.gz FKVCQXJOGZVMCP-UHFFFAOYSA-N 0 1 297.732 3.917 20 0 CHADMN CN(C)c1ccccc1CNCc1cc(F)cc(Cl)c1 ZINC000485719787 331922314 /nfs/dbraw/zinc/92/23/14/331922314.db2.gz VOCMKRYSAXJGMU-UHFFFAOYSA-N 0 1 292.785 3.835 20 0 CHADMN Cc1cscc1CNCc1cn(-c2ccccc2)nc1C ZINC000487176230 331958255 /nfs/dbraw/zinc/95/82/55/331958255.db2.gz XGXBCHMLQLSEFJ-UHFFFAOYSA-N 0 1 297.427 3.840 20 0 CHADMN CCc1ccc([C@H](NCc2cc(C)n(C)n2)C(C)C)cc1 ZINC000487362410 331967637 /nfs/dbraw/zinc/96/76/37/331967637.db2.gz FNIBWRFFRVMWAT-GOSISDBHSA-N 0 1 285.435 3.778 20 0 CHADMN Cc1cc(CN2CCC(CCc3ccccc3)CC2)nn1C ZINC000487370416 331967976 /nfs/dbraw/zinc/96/79/76/331967976.db2.gz DFWQJXGEILIKFE-UHFFFAOYSA-N 0 1 297.446 3.573 20 0 CHADMN C[C@@H]1C[C@@H]1CN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000488335575 332000538 /nfs/dbraw/zinc/00/05/38/332000538.db2.gz SHWZFWBUTJRQRK-UXIGCNINSA-N 0 1 299.336 3.735 20 0 CHADMN CCOC1(C)CCN(c2ccnc3cc(F)ccc32)CC1 ZINC000488467341 332012117 /nfs/dbraw/zinc/01/21/17/332012117.db2.gz VVMXCXRUPKSKET-UHFFFAOYSA-N 0 1 288.366 3.769 20 0 CHADMN CCC(CC)[C@@H](C)C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000489197636 332043267 /nfs/dbraw/zinc/04/32/67/332043267.db2.gz XDFFSQKASWTECE-QJPTWQEYSA-N 0 1 294.443 3.568 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@@H](C)CC(C)(C)C)n[nH]1 ZINC000489217886 332043600 /nfs/dbraw/zinc/04/36/00/332043600.db2.gz MUKHKCKYPJKXKV-SDDRHHMPSA-N 0 1 294.443 3.568 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C[C@@H](C)C(C)(C)C)n[nH]1 ZINC000489253722 332044216 /nfs/dbraw/zinc/04/42/16/332044216.db2.gz PCLJWCNEHQGWFT-TUAOUCFPSA-N 0 1 294.443 3.568 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCCC(C)(C)C)n[nH]1 ZINC000489277207 332044903 /nfs/dbraw/zinc/04/49/03/332044903.db2.gz IQPYURKZHXBSIU-RYUDHWBXSA-N 0 1 294.443 3.712 20 0 CHADMN CCCC(CCC)C(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000489280721 332044978 /nfs/dbraw/zinc/04/49/78/332044978.db2.gz NSHZIYOCLKRCLF-NEPJUHHUSA-N 0 1 294.443 3.712 20 0 CHADMN C[C@@H](NC(=O)c1cccc2nc[nH]c21)c1cccc(Cl)c1 ZINC000489597844 332060836 /nfs/dbraw/zinc/06/08/36/332060836.db2.gz YFCMCFZBCMVWEK-SNVBAGLBSA-N 0 1 299.761 3.707 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3ccccc3)[nH]n2)c(C)c1 ZINC000489740987 332066725 /nfs/dbraw/zinc/06/67/25/332066725.db2.gz GLDXVKPGYAFIPT-UHFFFAOYSA-N 0 1 291.354 3.946 20 0 CHADMN COC(C)(C)CCN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000490069001 332079795 /nfs/dbraw/zinc/07/97/95/332079795.db2.gz SYUQMJOYIIGKSG-QMMMGPOBSA-N 0 1 296.358 3.628 20 0 CHADMN CCCC[C@H](CC)C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000490273916 332085842 /nfs/dbraw/zinc/08/58/42/332085842.db2.gz ORRLRXPBZCAGFB-XQQFMLRXSA-N 0 1 294.443 3.712 20 0 CHADMN CCCC[C@H](CC)C(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000490273915 332085855 /nfs/dbraw/zinc/08/58/55/332085855.db2.gz ORRLRXPBZCAGFB-UPJWGTAASA-N 0 1 294.443 3.712 20 0 CHADMN Fc1cc(CN2CC[C@@H](C3CC3)C2)ccc1Br ZINC000491230486 332170461 /nfs/dbraw/zinc/17/04/61/332170461.db2.gz CXKJSHOLQDTZSW-GFCCVEGCSA-N 0 1 298.199 3.820 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N(C)C[C@@H]1CCO[C@H](C)C1 ZINC000491238202 332171808 /nfs/dbraw/zinc/17/18/08/332171808.db2.gz GNDRDZPQYKGREF-FRRDWIJNSA-N 0 1 283.362 3.773 20 0 CHADMN CCCn1cc(CNCc2cccc(SCC)c2)cn1 ZINC000491449839 332213140 /nfs/dbraw/zinc/21/31/40/332213140.db2.gz YGESDHLNWMKYRI-UHFFFAOYSA-N 0 1 289.448 3.695 20 0 CHADMN CCOc1cccc(C(=O)Nc2cccc(Cl)c2O)c1 ZINC000172111002 335095262 /nfs/dbraw/zinc/09/52/62/335095262.db2.gz XIJXJLUPHDPNRK-UHFFFAOYSA-N 0 1 291.734 3.697 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3sc(Cl)cc32)nc1 ZINC000335851550 335097803 /nfs/dbraw/zinc/09/78/03/335097803.db2.gz VUXNWIXCJSCJRG-GFCCVEGCSA-N 0 1 278.808 3.882 20 0 CHADMN C[C@@H]1C[C@@H](CN(C)Cc2c(F)cccc2Cl)CCO1 ZINC000491821849 332370862 /nfs/dbraw/zinc/37/08/62/332370862.db2.gz MLBUXOFFFJSCGX-NEPJUHHUSA-N 0 1 285.790 3.726 20 0 CHADMN COc1cccc(C2=CCN([C@@H](C)c3ccccn3)CC2)c1 ZINC000492002491 332378842 /nfs/dbraw/zinc/37/88/42/332378842.db2.gz SISUQWYQPRJJHL-HNNXBMFYSA-N 0 1 294.398 3.941 20 0 CHADMN Cc1cccn2c(CNC(C)(C)c3ccccc3F)cnc12 ZINC000492337625 332393190 /nfs/dbraw/zinc/39/31/90/332393190.db2.gz ZNUYHOMTDKEDDH-UHFFFAOYSA-N 0 1 297.377 3.807 20 0 CHADMN CCCCSCCC(=O)Nc1cccc(Cl)c1O ZINC000172404427 335104485 /nfs/dbraw/zinc/10/44/85/335104485.db2.gz UJIVQAVJMXYBJZ-UHFFFAOYSA-N 0 1 287.812 3.908 20 0 CHADMN Cc1ccc(/C=C\C(=O)Nc2cc(Cl)c(O)cc2F)o1 ZINC000492894706 332417734 /nfs/dbraw/zinc/41/77/34/332417734.db2.gz OFEXKQAUQWWWNL-PLNGDYQASA-N 0 1 295.697 3.738 20 0 CHADMN CCCc1csc(CNC[C@H](OC)c2ccccc2)n1 ZINC000494038017 332461775 /nfs/dbraw/zinc/46/17/75/332461775.db2.gz MTXHVZDJXMVPBV-HNNXBMFYSA-N 0 1 290.432 3.573 20 0 CHADMN CCCc1csc(CN[C@H]2CC(C)(C)OC2(C)C)n1 ZINC000494200077 332466547 /nfs/dbraw/zinc/46/65/47/332466547.db2.gz ATUMTHUMUJOMHG-LBPRGKRZSA-N 0 1 282.453 3.531 20 0 CHADMN CCCc1csc(CNCCOc2ccccc2C)n1 ZINC000494334778 332470650 /nfs/dbraw/zinc/47/06/50/332470650.db2.gz VXERFNYZXCPWGA-UHFFFAOYSA-N 0 1 290.432 3.573 20 0 CHADMN CC(C)Sc1ccc(CN[C@@H](C)c2cn[nH]c2)cc1 ZINC000494697183 332483603 /nfs/dbraw/zinc/48/36/03/332483603.db2.gz BUCWXOPVESPCIJ-LBPRGKRZSA-N 0 1 275.421 3.761 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cc3cc(F)ccc3o2)n1 ZINC000575747961 335111572 /nfs/dbraw/zinc/11/15/72/335111572.db2.gz DJIHSEYVCNZQNC-NSHDSACASA-N 0 1 289.310 3.668 20 0 CHADMN CCc1ccc(-c2noc(CN3CCCC[C@@H]3C)n2)cc1 ZINC000252016393 334373240 /nfs/dbraw/zinc/37/32/40/334373240.db2.gz VTXFQCSWTFXQQN-ZDUSSCGKSA-N 0 1 285.391 3.673 20 0 CHADMN CCOc1c(Cl)cc(CN2CCCCC2)cc1OC ZINC000092106923 334396223 /nfs/dbraw/zinc/39/62/23/334396223.db2.gz OMNMCYGORMSIAM-UHFFFAOYSA-N 0 1 283.799 3.733 20 0 CHADMN CC(C)CCOCCNc1ccnc2cc(F)ccc21 ZINC000500435994 332609004 /nfs/dbraw/zinc/60/90/04/332609004.db2.gz PFEXIZFBKSFPQJ-UHFFFAOYSA-N 0 1 276.355 3.849 20 0 CHADMN CC[C@@H]1C[C@@]1(NCc1cncs1)c1cccc(C)c1 ZINC000500479958 332610846 /nfs/dbraw/zinc/61/08/46/332610846.db2.gz CZOFFAZBEJTYCW-CJNGLKHVSA-N 0 1 272.417 3.867 20 0 CHADMN CCOc1ccccc1CNCc1ccc(OC)cc1CC ZINC000501384569 332631531 /nfs/dbraw/zinc/63/15/31/332631531.db2.gz DJHCNSHESAQPHF-UHFFFAOYSA-N 0 1 299.414 3.946 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2cc(C)cc(C)c2)nn1C ZINC000502711410 332670710 /nfs/dbraw/zinc/67/07/10/332670710.db2.gz HVDPBQNBLZMXIR-LSDHHAIUSA-N 0 1 271.408 3.757 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1nc2cc(Cl)ccc2n1C ZINC000505309091 332736590 /nfs/dbraw/zinc/73/65/90/332736590.db2.gz YHZGQZLVOJFXIB-RYUDHWBXSA-N 0 1 291.826 3.990 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000505342593 332737804 /nfs/dbraw/zinc/73/78/04/332737804.db2.gz HQPXTRJQFMZCQT-VXGBXAGGSA-N 0 1 291.826 3.705 20 0 CHADMN CCC(CC)[C@H](C)C(=O)Nc1cc(C(C)=O)ccc1O ZINC000512549635 332973132 /nfs/dbraw/zinc/97/31/32/332973132.db2.gz URLNQJWZVFOXAZ-JTQLQIEISA-N 0 1 277.364 3.606 20 0 CHADMN C[C@@H](O)[C@H]1CCCCN1Cc1cccc(Cl)c1Cl ZINC000513280584 333012178 /nfs/dbraw/zinc/01/21/78/333012178.db2.gz BEHSEYUQBQENMT-ZWNOBZJWSA-N 0 1 288.218 3.729 20 0 CHADMN C[C@@H]1CCC[C@H](CCN2CCOC[C@H]2CC(F)F)C1 ZINC000513380933 333016699 /nfs/dbraw/zinc/01/66/99/333016699.db2.gz NGCACYVEFXCIAW-MGPQQGTHSA-N 0 1 275.383 3.559 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1Cc1nc(C(C)C)no1 ZINC000177107205 333053752 /nfs/dbraw/zinc/05/37/52/333053752.db2.gz VQMCNUOVQNGXKV-CYBMUJFWSA-N 0 1 265.401 3.594 20 0 CHADMN CC(C)C[C@H]1CCCCN1Cc1nc(C(C)C)no1 ZINC000177107205 333053753 /nfs/dbraw/zinc/05/37/53/333053753.db2.gz VQMCNUOVQNGXKV-CYBMUJFWSA-N 0 1 265.401 3.594 20 0 CHADMN FC1(F)CCC[C@H](C[N@H+]2CCO[C@H](c3ccccc3)C2)C1 ZINC000513967704 333056113 /nfs/dbraw/zinc/05/61/13/333056113.db2.gz OPSOSBRWURGIME-HOCLYGCPSA-N 0 1 295.373 3.885 20 0 CHADMN FC1(F)CCC[C@H](CN2CCO[C@H](c3ccccc3)C2)C1 ZINC000513967704 333056114 /nfs/dbraw/zinc/05/61/14/333056114.db2.gz OPSOSBRWURGIME-HOCLYGCPSA-N 0 1 295.373 3.885 20 0 CHADMN CCCC[C@H](CCC)NC(=O)Cc1[nH]nc2ccccc21 ZINC000177299465 333057120 /nfs/dbraw/zinc/05/71/20/333057120.db2.gz ZXHZQPRYIDLEGD-ZDUSSCGKSA-N 0 1 287.407 3.581 20 0 CHADMN CC[C@@H](Sc1c[nH]nn1)c1ccc(Cl)cc1 ZINC000177379983 333058369 /nfs/dbraw/zinc/05/83/69/333058369.db2.gz UODPUXWIFVFFEX-SNVBAGLBSA-N 0 1 253.758 3.702 20 0 CHADMN CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCCO1 ZINC000514003964 333059024 /nfs/dbraw/zinc/05/90/24/333059024.db2.gz YCZRZWFFCJZDDC-GFCCVEGCSA-N 0 1 288.218 3.994 20 0 CHADMN CO[C@](C)(CNCc1c(Cl)cccc1Cl)C1CC1 ZINC000310854226 333062011 /nfs/dbraw/zinc/06/20/11/333062011.db2.gz JKLOBPSZIBMQJM-CQSZACIVSA-N 0 1 288.218 3.898 20 0 CHADMN C[C@H](N[C@H]1CCCC[C@@H]1C)c1nc(Cc2ccccc2)no1 ZINC000178637920 333076286 /nfs/dbraw/zinc/07/62/86/333076286.db2.gz MHIXTBGFVYMGDU-DZKIICNBSA-N 0 1 299.418 3.890 20 0 CHADMN FC(F)(F)C[C@@H]1CCCN(Cc2ccc3c(n2)CCC3)C1 ZINC000516758203 333081744 /nfs/dbraw/zinc/08/17/44/333081744.db2.gz KQABJPPWCZKATR-LBPRGKRZSA-N 0 1 298.352 3.735 20 0 CHADMN FC(F)(F)C[C@H]1CCCN(Cc2ccc3c(n2)CCC3)C1 ZINC000516758202 333081757 /nfs/dbraw/zinc/08/17/57/333081757.db2.gz KQABJPPWCZKATR-GFCCVEGCSA-N 0 1 298.352 3.735 20 0 CHADMN Cc1cccc([C@H]2CCCCC[N@H+]2CC2(C(=O)[O-])CC2)c1 ZINC000516777975 333082454 /nfs/dbraw/zinc/08/24/54/333082454.db2.gz YTNOJICJMJULRD-MRXNPFEDSA-N 0 1 287.403 3.777 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCC[C@@H](CC)CC2)n1 ZINC000516891007 333085391 /nfs/dbraw/zinc/08/53/91/333085391.db2.gz ZKJAUGOSCRVROF-ZIAGYGMSSA-N 0 1 279.428 3.985 20 0 CHADMN Cc1nsc(C)c1C[N@H+]1CCC2(C1)CCCCC2 ZINC000517008417 333089505 /nfs/dbraw/zinc/08/95/05/333089505.db2.gz HXEYVKJJGNWNLE-UHFFFAOYSA-N 0 1 264.438 3.916 20 0 CHADMN C[C@@H]1CC[C@H]([N@@H+](C)Cc2cnc(C3CC3)s2)C1 ZINC000517483164 333100303 /nfs/dbraw/zinc/10/03/03/333100303.db2.gz VHRFZUGWWUKRHQ-PWSUYJOCSA-N 0 1 250.411 3.641 20 0 CHADMN COC[C@@H](N[C@@H](C)c1ccsc1)c1ccccc1 ZINC000089668872 333102513 /nfs/dbraw/zinc/10/25/13/333102513.db2.gz CFAYOTJVTCTVGJ-SWLSCSKDSA-N 0 1 261.390 3.786 20 0 CHADMN Clc1ccc(C2CN(Cc3ccc4c(n3)CCC4)C2)cc1 ZINC000517705498 333106394 /nfs/dbraw/zinc/10/63/94/333106394.db2.gz SMHMAJSCPZKNPU-UHFFFAOYSA-N 0 1 298.817 3.823 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])oc1CC ZINC000521257611 333116615 /nfs/dbraw/zinc/11/66/15/333116615.db2.gz NACCRYZZTZIEJD-GXTWGEPZSA-N 0 1 293.407 3.941 20 0 CHADMN C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000182811931 333117633 /nfs/dbraw/zinc/11/76/33/333117633.db2.gz FAIXBONGPZERFC-KUHUBIRLSA-N 0 1 299.389 3.901 20 0 CHADMN CC(C)c1nc([C@@H](C)NCCOc2ccccc2)cs1 ZINC000184721583 333132002 /nfs/dbraw/zinc/13/20/02/333132002.db2.gz JRNISQSYSPPVDQ-CYBMUJFWSA-N 0 1 290.432 3.996 20 0 CHADMN CC(C)(C)c1n[nH]cc1CNCc1ccc(C(F)F)cc1 ZINC000185174860 333136464 /nfs/dbraw/zinc/13/64/64/333136464.db2.gz KDSJEPMCPWUKQN-UHFFFAOYSA-N 0 1 293.361 3.935 20 0 CHADMN CCC1(CC)CN([C@@H](C)c2ccccc2C)CC[S@]1=O ZINC000185251304 333137542 /nfs/dbraw/zinc/13/75/42/333137542.db2.gz TZKXOHNKSWQGTO-MGPUTAFESA-N 0 1 293.476 3.679 20 0 CHADMN CSCCC[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185302135 333138352 /nfs/dbraw/zinc/13/83/52/333138352.db2.gz HDLNRFVYINZGJB-NSHDSACASA-N 0 1 271.376 3.507 20 0 CHADMN Oc1cc(F)cc(CN[C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000185496603 333142076 /nfs/dbraw/zinc/14/20/76/333142076.db2.gz ZMECSLCAUNZGFM-MRXNPFEDSA-N 0 1 291.753 3.962 20 0 CHADMN Cc1cccc(CNC(C)(C)c2nc3ccccc3n2C)c1 ZINC000185642812 333145579 /nfs/dbraw/zinc/14/55/79/333145579.db2.gz JRUDCBMIGIFKSO-UHFFFAOYSA-N 0 1 293.414 3.907 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1Cc1cnc(C)s1 ZINC000185793683 333149022 /nfs/dbraw/zinc/14/90/22/333149022.db2.gz VXHLDRCVWZCGJZ-OAHLLOKOSA-N 0 1 272.417 3.788 20 0 CHADMN CCC(CC)[C@@H](O)CN[C@@H](C)c1csc(C(C)C)n1 ZINC000186333399 333158761 /nfs/dbraw/zinc/15/87/61/333158761.db2.gz STSHOVUOSGMCIU-FZMZJTMJSA-N 0 1 284.469 3.714 20 0 CHADMN CC(C)C[C@H]1OCCC[C@H]1NCc1nc2ccccc2o1 ZINC000186347722 333158918 /nfs/dbraw/zinc/15/89/18/333158918.db2.gz WYIVGHAFUGLLMD-CZUORRHYSA-N 0 1 288.391 3.511 20 0 CHADMN CO[C@H](CN[C@@H](C)c1csc(C(C)C)n1)C(C)(C)C ZINC000186368853 333159596 /nfs/dbraw/zinc/15/95/96/333159596.db2.gz MFMNLIGLHSHXGM-WCQYABFASA-N 0 1 284.469 3.978 20 0 CHADMN Cc1ccc(SC[C@@H](C)N[C@@H](C)c2nccn2C)cc1 ZINC000186469345 333161695 /nfs/dbraw/zinc/16/16/95/333161695.db2.gz GCKHFIQZVJCVRR-KGLIPLIRSA-N 0 1 289.448 3.560 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2)CCO1 ZINC000220310861 333164977 /nfs/dbraw/zinc/16/49/77/333164977.db2.gz BPRMTOYIGZXWPN-LJQANCHMSA-N 0 1 281.399 3.964 20 0 CHADMN C[C@@H](c1nnc(-c2ccccc2)o1)N1CCCC2(CC2)C1 ZINC000186957820 333166716 /nfs/dbraw/zinc/16/67/16/333166716.db2.gz PJDBYCOBFTUXTB-ZDUSSCGKSA-N 0 1 283.375 3.674 20 0 CHADMN COC[C@H]1CCCN([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000187034966 333167551 /nfs/dbraw/zinc/16/75/51/333167551.db2.gz PLKRDANWFNDAJV-RYUDHWBXSA-N 0 1 285.790 3.899 20 0 CHADMN COCC1=CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000187616594 333173196 /nfs/dbraw/zinc/17/31/96/333173196.db2.gz KIHKUQVPUMHSGJ-NSCUHMNNSA-N 0 1 277.795 3.632 20 0 CHADMN C[C@H]1CN(Cc2cccc(Cl)c2)CCC1(F)F ZINC000575873763 335126948 /nfs/dbraw/zinc/12/69/48/335126948.db2.gz BIJLLXYKTXCJMR-JTQLQIEISA-N 0 1 259.727 3.817 20 0 CHADMN CC(C)=CC[N@@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000521674361 333183523 /nfs/dbraw/zinc/18/35/23/333183523.db2.gz DVXLMSOMGRNUDS-INIZCTEOSA-N 0 1 295.430 3.712 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CC[C@H](C)[C@@H]3C)n[nH]2)c(C)c1 ZINC000189202626 333184667 /nfs/dbraw/zinc/18/46/67/333184667.db2.gz AJELZYWKKKLIOO-JSGCOSHPSA-N 0 1 297.402 3.564 20 0 CHADMN COc1ccc(F)cc1CNCc1ccc(C)c(C)c1 ZINC000189206410 333185130 /nfs/dbraw/zinc/18/51/30/333185130.db2.gz YLHFNIGRBRPIGO-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN CCSCC[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000191662986 333222979 /nfs/dbraw/zinc/22/29/79/333222979.db2.gz QTHRQDVLJITUMU-SNVBAGLBSA-N 0 1 269.376 3.650 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000522008122 333230054 /nfs/dbraw/zinc/23/00/54/333230054.db2.gz MDHWZKZBNDOQFZ-OAHLLOKOSA-N 0 1 275.392 3.582 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2ncccc2O)C1 ZINC000522034977 333231060 /nfs/dbraw/zinc/23/10/60/333231060.db2.gz ISJMJBIMRYCJCX-WBMJQRKESA-N 0 1 286.350 3.509 20 0 CHADMN CC(C)CCOC1CCN(Cc2ccccc2F)CC1 ZINC000193110433 333242807 /nfs/dbraw/zinc/24/28/07/333242807.db2.gz NKFPXMWEPIEZQU-UHFFFAOYSA-N 0 1 279.399 3.853 20 0 CHADMN C[C@@H](N[C@H]1COCc2ccccc21)c1ccc(F)cc1 ZINC000225978616 333244052 /nfs/dbraw/zinc/24/40/52/333244052.db2.gz LIXPBVLZPDLLOZ-PXAZEXFGSA-N 0 1 271.335 3.748 20 0 CHADMN CC(C)c1ccc([C@H](C)N(C)Cc2cnn(C)c2)cc1 ZINC000195118376 333246005 /nfs/dbraw/zinc/24/60/05/333246005.db2.gz WFCSRIMFELTZII-AWEZNQCLSA-N 0 1 271.408 3.737 20 0 CHADMN CCc1ccccc1CNCc1cc(C)ccc1F ZINC000226163191 333252240 /nfs/dbraw/zinc/25/22/40/333252240.db2.gz DALYUTQPBYZXPF-UHFFFAOYSA-N 0 1 257.352 3.986 20 0 CHADMN C[C@H](c1ccc(Cl)cc1Cl)N1CCN(C2CC2)CC1 ZINC000195718870 333261577 /nfs/dbraw/zinc/26/15/77/333261577.db2.gz NTQNUJPXPZDSJW-LLVKDONJSA-N 0 1 299.245 3.834 20 0 CHADMN CCCCc1ccc(NC(=O)[C@H]2CCC[N@H+]2CCC)cc1 ZINC000522213983 333264973 /nfs/dbraw/zinc/26/49/73/333264973.db2.gz BSXYYKVLLCJAOI-QGZVFWFLSA-N 0 1 288.435 3.842 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H](c2ccco2)c2ccccc2)CS1 ZINC000227502808 333283773 /nfs/dbraw/zinc/28/37/73/333283773.db2.gz TVQAHKNQKDEKJF-IVMMDQJWSA-N 0 1 273.401 3.853 20 0 CHADMN CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000227826324 333288767 /nfs/dbraw/zinc/28/87/67/333288767.db2.gz MZJSYVKUZDQOCD-DYVFJYSZSA-N 0 1 275.392 3.668 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000227823963 333288944 /nfs/dbraw/zinc/28/89/44/333288944.db2.gz KESVSRRKVCXREK-ACJLOTCBSA-N 0 1 289.419 3.842 20 0 CHADMN CCN(C(=O)c1cc(C)cc2cn[nH]c21)c1ccccc1C ZINC000522587507 333291681 /nfs/dbraw/zinc/29/16/81/333291681.db2.gz PCAJOQZHHFCZPU-UHFFFAOYSA-N 0 1 293.370 3.846 20 0 CHADMN CC(C)(C)c1csc(NC(=O)c2c(O)cccc2F)n1 ZINC000228869718 333298112 /nfs/dbraw/zinc/29/81/12/333298112.db2.gz MGGBJSGQZXKSCG-UHFFFAOYSA-N 0 1 294.351 3.538 20 0 CHADMN CCCOc1ccc(NC(=O)c2c(O)cccc2F)cc1 ZINC000228864677 333298165 /nfs/dbraw/zinc/29/81/65/333298165.db2.gz GTRIUYXPXBDWKV-UHFFFAOYSA-N 0 1 289.306 3.572 20 0 CHADMN CC(C)C(CNC(=O)c1ccc(O)c(Cl)c1)C(C)C ZINC000229572774 333306510 /nfs/dbraw/zinc/30/65/10/333306510.db2.gz WHBMQCLKKZUTEC-UHFFFAOYSA-N 0 1 283.799 3.704 20 0 CHADMN Cc1ccc(C)c([C@H](C)N(C)CC(=O)Nc2ccccc2)c1 ZINC000523439007 333326669 /nfs/dbraw/zinc/32/66/69/333326669.db2.gz CCUZLBBOBDCJIY-INIZCTEOSA-N 0 1 296.414 3.935 20 0 CHADMN CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCCC2(CCCCC2)C1 ZINC000523594480 333333589 /nfs/dbraw/zinc/33/35/89/333333589.db2.gz QKTNZQXXCXQCDD-HZPDHXFCSA-N 0 1 294.483 3.726 20 0 CHADMN CC(C)Cn1ccnc1NCc1ccc(F)c(Cl)c1 ZINC000232684540 333340548 /nfs/dbraw/zinc/34/05/48/333340548.db2.gz FTMHEAQHRLDVGQ-UHFFFAOYSA-N 0 1 281.762 3.944 20 0 CHADMN CCC(CC)[N@H+](CCOC)Cc1cccc([O-])c1Cl ZINC000393368637 333343092 /nfs/dbraw/zinc/34/30/92/333343092.db2.gz HHMQGLPBBBEHOM-UHFFFAOYSA-N 0 1 285.815 3.683 20 0 CHADMN CCC(CC)[N@@H+](CCOC)Cc1cccc([O-])c1Cl ZINC000393368637 333343094 /nfs/dbraw/zinc/34/30/94/333343094.db2.gz HHMQGLPBBBEHOM-UHFFFAOYSA-N 0 1 285.815 3.683 20 0 CHADMN C[C@@H](CSc1nc(C(C)(C)C)n[nH]1)c1ccccc1 ZINC000523932408 333349639 /nfs/dbraw/zinc/34/96/39/333349639.db2.gz NPFROHMOEMRYCA-NSHDSACASA-N 0 1 275.421 3.998 20 0 CHADMN C[C@@H](CSc1n[nH]c(C(C)(C)C)n1)c1ccccc1 ZINC000523932408 333349640 /nfs/dbraw/zinc/34/96/40/333349640.db2.gz NPFROHMOEMRYCA-NSHDSACASA-N 0 1 275.421 3.998 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000234061096 333357666 /nfs/dbraw/zinc/35/76/66/333357666.db2.gz CVJLNIDNHAVCGE-RDJZCZTQSA-N 0 1 293.382 3.710 20 0 CHADMN COC[C@@H](N[C@H](C)c1cc(C)oc1C)c1ccccc1 ZINC000234746517 333362154 /nfs/dbraw/zinc/36/21/54/333362154.db2.gz LDZWVAQQBAJTHF-CXAGYDPISA-N 0 1 273.376 3.935 20 0 CHADMN C[C@@H](C(=O)OC(C)(C)C)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000524595409 333367885 /nfs/dbraw/zinc/36/78/85/333367885.db2.gz JXNLMHMEDZOPMT-IJEWVQPXSA-N 0 1 289.419 3.595 20 0 CHADMN Cc1ccc(CNc2nccn2-c2ccccc2)s1 ZINC000235981430 333372690 /nfs/dbraw/zinc/37/26/90/333372690.db2.gz HPXOVETUPNJEOO-UHFFFAOYSA-N 0 1 269.373 3.854 20 0 CHADMN CC(C)CCNc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000236739776 333375184 /nfs/dbraw/zinc/37/51/84/333375184.db2.gz RHJTXSGFNUHSMN-HZPDHXFCSA-N 0 1 290.451 3.754 20 0 CHADMN C[C@H](NCc1cncn1C)c1ccc(-c2ccccc2)cc1 ZINC000237519903 333380067 /nfs/dbraw/zinc/38/00/67/333380067.db2.gz NUOUNDOYMSJUDO-HNNXBMFYSA-N 0 1 291.398 3.938 20 0 CHADMN CCCOc1ccc(CNCc2ccc(C)c(C)n2)cc1 ZINC000314278484 333380750 /nfs/dbraw/zinc/38/07/50/333380750.db2.gz NDONQGOFNBBRIB-UHFFFAOYSA-N 0 1 284.403 3.777 20 0 CHADMN Cc1ccc(-c2noc(CN3C[C@@H](C)CC[C@H]3C)n2)cc1 ZINC000524753268 333386221 /nfs/dbraw/zinc/38/62/21/333386221.db2.gz DQXLBBMSOQWNEB-UONOGXRCSA-N 0 1 285.391 3.665 20 0 CHADMN CCO[C@@H]1C[C@H](N(C)Cc2cccc(F)c2F)C1(C)C ZINC000524894959 333392680 /nfs/dbraw/zinc/39/26/80/333392680.db2.gz DHRCDSCSRAWLGK-UONOGXRCSA-N 0 1 283.362 3.600 20 0 CHADMN C[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000524908260 333393349 /nfs/dbraw/zinc/39/33/49/333393349.db2.gz PRCMJPXUFVLLAE-ZIAGYGMSSA-N 0 1 288.435 3.653 20 0 CHADMN Cc1ccoc1CNCc1cc2c(s1)CCCC2 ZINC000525195653 333403128 /nfs/dbraw/zinc/40/31/28/333403128.db2.gz OBNRLWSDHRRSBO-UHFFFAOYSA-N 0 1 261.390 3.818 20 0 CHADMN Cc1nc2cc(N[C@@H](C)C3CCSCC3)ccc2n1C ZINC000525990842 333417469 /nfs/dbraw/zinc/41/74/69/333417469.db2.gz XKSVSZLWZGWOBD-NSHDSACASA-N 0 1 289.448 3.825 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1cc(CO)ccc1F ZINC000528513438 333429335 /nfs/dbraw/zinc/42/93/35/333429335.db2.gz UBEFOYQIOZSWHZ-UHFFFAOYSA-N 0 1 287.378 3.651 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2ccc3c(c2)CCCC3)o1 ZINC000397893264 333430414 /nfs/dbraw/zinc/43/04/14/333430414.db2.gz NWSQFWDQXGLUSX-LBPRGKRZSA-N 0 1 270.376 3.713 20 0 CHADMN Cc1nocc1CN[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000339178689 335142099 /nfs/dbraw/zinc/14/20/99/335142099.db2.gz YCYYUDATILITBF-SECBINFHSA-N 0 1 284.281 3.853 20 0 CHADMN CS[C@@H]1CCC[C@@H]([NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000328315236 333516786 /nfs/dbraw/zinc/51/67/86/333516786.db2.gz CEOZZLXQPTUARW-VXGBXAGGSA-N 0 1 285.840 3.809 20 0 CHADMN [O-]c1cccc(C[NH2+]CCCc2ccccc2)c1Cl ZINC000328350886 333527862 /nfs/dbraw/zinc/52/78/62/333527862.db2.gz MZGMDBHAPJMBTP-UHFFFAOYSA-N 0 1 275.779 3.768 20 0 CHADMN OC[C@H]1CCCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000339751048 335147958 /nfs/dbraw/zinc/14/79/58/335147958.db2.gz DZKSCTXARDMCGY-NSHDSACASA-N 0 1 288.218 3.588 20 0 CHADMN Cc1cccc(S(=O)(=O)Nc2cccc(F)c2)c1Cl ZINC000538266488 333582101 /nfs/dbraw/zinc/58/21/01/333582101.db2.gz RFEFNTICBIMMAF-UHFFFAOYSA-N 0 1 299.754 3.588 20 0 CHADMN CC[C@@H](NCc1nc([C@@H](C)OCC(C)C)no1)C(C)(C)C ZINC000538392143 333588115 /nfs/dbraw/zinc/58/81/15/333588115.db2.gz MDMSYSORRKOXLF-CHWSQXEVSA-N 0 1 297.443 3.718 20 0 CHADMN C[C@H](CCc1ccc(Cl)s1)NCc1cscn1 ZINC000127289140 333625773 /nfs/dbraw/zinc/62/57/73/333625773.db2.gz JUFRHRGHBRBOFQ-SECBINFHSA-N 0 1 286.853 3.969 20 0 CHADMN C[C@@H](NC[C@H](C)C(F)(F)F)c1c(F)cccc1F ZINC000539231504 333662246 /nfs/dbraw/zinc/66/22/46/333662246.db2.gz VKMSKCLFKFRBOH-JGVFFNPUSA-N 0 1 267.241 3.814 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cncs2)cc1F ZINC000128605966 333690817 /nfs/dbraw/zinc/69/08/17/333690817.db2.gz SFRPGHHGTMWSBO-VHSXEESVSA-N 0 1 280.368 3.703 20 0 CHADMN COC[C@@H](N[C@H]1CCc2ccccc21)c1ccc(F)cc1 ZINC000540186040 333719194 /nfs/dbraw/zinc/71/91/94/333719194.db2.gz JHCNPAKWDPSHIM-ZWKOTPCHSA-N 0 1 285.362 3.790 20 0 CHADMN CCOc1cccc([C@H](C)N[C@@H](C)c2cncnc2C)c1 ZINC000576122082 335157811 /nfs/dbraw/zinc/15/78/11/335157811.db2.gz VWGJRXYJMKCDLL-JSGCOSHPSA-N 0 1 285.391 3.596 20 0 CHADMN CCc1nnc(SCC[C@@H]2CCC[C@@H](C)C2)[nH]1 ZINC000576124230 335158190 /nfs/dbraw/zinc/15/81/90/335158190.db2.gz CHDSUEWPJOPYHE-MNOVXSKESA-N 0 1 253.415 3.676 20 0 CHADMN CCc1n[nH]c(SCC[C@@H]2CCC[C@@H](C)C2)n1 ZINC000576124230 335158192 /nfs/dbraw/zinc/15/81/92/335158192.db2.gz CHDSUEWPJOPYHE-MNOVXSKESA-N 0 1 253.415 3.676 20 0 CHADMN CC(C)[C@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000071029360 333842203 /nfs/dbraw/zinc/84/22/03/333842203.db2.gz PXJWNXBWTFXMPT-LBPRGKRZSA-N 0 1 295.810 3.944 20 0 CHADMN COc1cc(C)nc(CN[C@@]2(C)CCCc3ccccc32)c1 ZINC000543748317 333894827 /nfs/dbraw/zinc/89/48/27/333894827.db2.gz SQRRNYNEWJMSQV-IBGZPJMESA-N 0 1 296.414 3.740 20 0 CHADMN C[C@H](NC1(C2CC2)CC1)c1ncc(-c2ccccc2)o1 ZINC000544416725 333930629 /nfs/dbraw/zinc/93/06/29/333930629.db2.gz FEIRCJJSPXBYOR-LBPRGKRZSA-N 0 1 268.360 3.935 20 0 CHADMN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1nc(C(C)(C)C)no1 ZINC000544433002 333931100 /nfs/dbraw/zinc/93/11/00/333931100.db2.gz MZXXVECYDRJACO-MCIONIFRSA-N 0 1 293.455 3.918 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cccc(C)c1C)c1ccn(C)n1 ZINC000544568280 333936433 /nfs/dbraw/zinc/93/64/33/333936433.db2.gz DSFRZDFBLZDJTR-GOEBONIOSA-N 0 1 271.408 3.839 20 0 CHADMN CC[C@@H](N[C@H](C)c1cccc(C)c1C)c1ccn(C)n1 ZINC000544568279 333936481 /nfs/dbraw/zinc/93/64/81/333936481.db2.gz DSFRZDFBLZDJTR-GDBMZVCRSA-N 0 1 271.408 3.839 20 0 CHADMN Cc1cccc(C)c1[C@H](C)NCc1ccn(C(C)C)n1 ZINC000545518243 333985850 /nfs/dbraw/zinc/98/58/50/333985850.db2.gz QXSDCJUUVBOEKA-HNNXBMFYSA-N 0 1 271.408 3.932 20 0 CHADMN CC1=CCN(CCN[C@H](c2ccco2)c2ccccc2)CC1 ZINC000545866068 334003281 /nfs/dbraw/zinc/00/32/81/334003281.db2.gz ZCMBNBZDGWJWCR-IBGZPJMESA-N 0 1 296.414 3.611 20 0 CHADMN CCn1ccnc1CN[C@H]1c2ccccc2CC[C@H]1C(C)C ZINC000545904066 334005157 /nfs/dbraw/zinc/00/51/57/334005157.db2.gz HBFKKJFRETYFNJ-QFBILLFUSA-N 0 1 297.446 3.952 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000132859926 334008196 /nfs/dbraw/zinc/00/81/96/334008196.db2.gz SIHOPSVWMOVHGB-LLVKDONJSA-N 0 1 262.328 3.589 20 0 CHADMN CC[C@@H]1CCCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000132859926 334008197 /nfs/dbraw/zinc/00/81/97/334008197.db2.gz SIHOPSVWMOVHGB-LLVKDONJSA-N 0 1 262.328 3.589 20 0 CHADMN CCc1ccc(O)c(NC(=O)c2ccc(O)c(Cl)c2)c1 ZINC000074825901 334014697 /nfs/dbraw/zinc/01/46/97/334014697.db2.gz JBVWXFOCCAMRSA-UHFFFAOYSA-N 0 1 291.734 3.566 20 0 CHADMN Clc1ccc2c(c1)CC[C@@H]2NCc1cncs1 ZINC000133074241 334015358 /nfs/dbraw/zinc/01/53/58/334015358.db2.gz USTNYZBPQXIZTD-ZDUSSCGKSA-N 0 1 264.781 3.574 20 0 CHADMN CCc1ccc(CN[C@H]2CCc3ccc(F)cc32)o1 ZINC000133181269 334024487 /nfs/dbraw/zinc/02/44/87/334024487.db2.gz KZEZTBOVFXAMGL-INIZCTEOSA-N 0 1 259.324 3.758 20 0 CHADMN Cc1cc(-c2noc(CCC3CCC3)n2)cc2nc[nH]c21 ZINC000546439119 334032738 /nfs/dbraw/zinc/03/27/38/334032738.db2.gz IKIZGZUVEAKGMD-UHFFFAOYSA-N 0 1 282.347 3.654 20 0 CHADMN C[C@H]1CCCC[C@@H]1Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000546457330 334033567 /nfs/dbraw/zinc/03/35/67/334033567.db2.gz OTUWSWPZAVCACD-NWDGAFQWSA-N 0 1 296.374 3.982 20 0 CHADMN Cc1cc(CN[C@H](C)Cc2cccc(C(F)(F)F)c2)no1 ZINC000546691229 334046139 /nfs/dbraw/zinc/04/61/39/334046139.db2.gz XGYOUAQGPROMGA-SNVBAGLBSA-N 0 1 298.308 3.723 20 0 CHADMN CC[C@@H](C)CN(C)CC(=O)Nc1sc(C)c(C)c1C ZINC000075720979 334049344 /nfs/dbraw/zinc/04/93/44/334049344.db2.gz RWTXXHUKECMYAR-SNVBAGLBSA-N 0 1 282.453 3.590 20 0 CHADMN CCC[C@H](C)c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000547169150 334070408 /nfs/dbraw/zinc/07/04/08/334070408.db2.gz RMTUYHPETVFMQC-NSHDSACASA-N 0 1 291.370 3.841 20 0 CHADMN CCc1nc(CNC2CC(C)(c3ccccc3)C2)cs1 ZINC000547375219 334084614 /nfs/dbraw/zinc/08/46/14/334084614.db2.gz ISNOVGPZLNYGOO-UHFFFAOYSA-N 0 1 286.444 3.915 20 0 CHADMN CCc1ccc(CC)c(NC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000134443741 334090735 /nfs/dbraw/zinc/09/07/35/334090735.db2.gz URFLJIYGUFVKAT-AWEZNQCLSA-N 0 1 297.402 3.593 20 0 CHADMN CCC[C@@H](C)CC(=O)Nc1cccc(Cl)c1O ZINC000077012540 334093539 /nfs/dbraw/zinc/09/35/39/334093539.db2.gz YLHOCOOWKZLGMZ-SECBINFHSA-N 0 1 255.745 3.810 20 0 CHADMN C[C@H](NCc1cccs1)c1nc2c(s1)CCC2 ZINC000134674989 334100143 /nfs/dbraw/zinc/10/01/43/334100143.db2.gz BKHMGUPRNBGOAH-VIFPVBQESA-N 0 1 264.419 3.544 20 0 CHADMN C[C@@H]1CCN(Cc2nccn2Cc2ccccc2)[C@H](C)C1 ZINC000077319458 334102249 /nfs/dbraw/zinc/10/22/49/334102249.db2.gz SNBAMPXNCAULQN-HZPDHXFCSA-N 0 1 283.419 3.552 20 0 CHADMN Cc1cnc([C@H](C)NCc2cccc3[nH]ccc32)s1 ZINC000134909169 334107908 /nfs/dbraw/zinc/10/79/08/334107908.db2.gz DOBZBOWPJKVGFP-NSHDSACASA-N 0 1 271.389 3.784 20 0 CHADMN C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000134971512 334110057 /nfs/dbraw/zinc/11/00/57/334110057.db2.gz XWDAPIFWBWKCOB-UWVGGRQHSA-N 0 1 286.188 3.819 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2ccc(F)c(Br)c2)C1 ZINC000134971512 334110058 /nfs/dbraw/zinc/11/00/58/334110058.db2.gz XWDAPIFWBWKCOB-UWVGGRQHSA-N 0 1 286.188 3.819 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CC[C@@H](CC)C1 ZINC000134984020 334110880 /nfs/dbraw/zinc/11/08/80/334110880.db2.gz RFPKAOMBZURVGW-CQSZACIVSA-N 0 1 275.392 3.520 20 0 CHADMN CCCc1nc(CN[C@@](C)(CO)C2CCCCC2)cs1 ZINC000077656394 334111084 /nfs/dbraw/zinc/11/10/84/334111084.db2.gz GCXKSRPBDDCGNU-INIZCTEOSA-N 0 1 296.480 3.517 20 0 CHADMN CC[C@@H](CC1CCCCC1)c1nc(C2(N)CCC2)no1 ZINC000564329042 334111990 /nfs/dbraw/zinc/11/19/90/334111990.db2.gz XGRXYPMLGCJATP-ZDUSSCGKSA-N 0 1 277.412 3.872 20 0 CHADMN COCc1cccc(CNCc2cccc(Cl)c2F)c1 ZINC000135236003 334120649 /nfs/dbraw/zinc/12/06/49/334120649.db2.gz SEGJDSVRZWKUSF-UHFFFAOYSA-N 0 1 293.769 3.915 20 0 CHADMN Cc1ccc(-c2cnc(CN(C)CCC3CC3)o2)cc1 ZINC000135309554 334125097 /nfs/dbraw/zinc/12/50/97/334125097.db2.gz YQGXTCBSGJZYIG-UHFFFAOYSA-N 0 1 270.376 3.882 20 0 CHADMN C[C@H](O)[C@H]1CCCN([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000547833803 334125235 /nfs/dbraw/zinc/12/52/35/334125235.db2.gz LDULALABYQFRLW-SRVKXCTJSA-N 0 1 285.790 3.633 20 0 CHADMN COc1cc(C)ccc1C(=O)Nc1cccc(Cl)c1O ZINC000548050492 334136798 /nfs/dbraw/zinc/13/67/98/334136798.db2.gz BDDUXOJSCFLZCG-UHFFFAOYSA-N 0 1 291.734 3.615 20 0 CHADMN C[C@H](c1ccccc1Br)N1[C@H](C)C[C@H]1C ZINC000548096198 334139682 /nfs/dbraw/zinc/13/96/82/334139682.db2.gz DVJZGYSUFQWAPF-GMTAPVOTSA-N 0 1 268.198 3.993 20 0 CHADMN CC(C)(NCc1cncs1)c1cccc(Cl)c1 ZINC000136184154 334149086 /nfs/dbraw/zinc/14/90/86/334149086.db2.gz QVYCTXMWPUPRNK-UHFFFAOYSA-N 0 1 266.797 3.821 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@H](C)c2ccccc21 ZINC000136209467 334149682 /nfs/dbraw/zinc/14/96/82/334149682.db2.gz XXZDQKOZMNKMQV-NSHDSACASA-N 0 1 283.375 3.605 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C3(C)CCCCC3)ccc12 ZINC000548376163 334152788 /nfs/dbraw/zinc/15/27/88/334152788.db2.gz XMENJKQVXVVOBR-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN C[C@H](CN[C@@H](C)c1cc(F)ccc1F)C(F)(F)F ZINC000548485362 334159613 /nfs/dbraw/zinc/15/96/13/334159613.db2.gz KIOPCOCXFAFUMV-SFYZADRCSA-N 0 1 267.241 3.814 20 0 CHADMN Cc1cc(Cl)ccc1C[N@@H+](C)Cc1ccccn1 ZINC000136920765 334165666 /nfs/dbraw/zinc/16/56/66/334165666.db2.gz QHRBIDNPATYZCJ-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1cc(Cl)ccc1CN(C)Cc1ccccn1 ZINC000136920765 334165667 /nfs/dbraw/zinc/16/56/67/334165667.db2.gz QHRBIDNPATYZCJ-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N(CC1CCCCC1)C1CC1 ZINC000080424783 334171102 /nfs/dbraw/zinc/17/11/02/334171102.db2.gz SRJFGEBSQLZHAM-UHFFFAOYSA-N 0 1 297.402 3.748 20 0 CHADMN CCOc1ccc2nc(S[C@@H]3CCC[C@H]3OC)[nH]c2c1 ZINC000549013343 334182623 /nfs/dbraw/zinc/18/26/23/334182623.db2.gz UOYUJUJQPYTNAB-ZIAGYGMSSA-N 0 1 292.404 3.621 20 0 CHADMN COCc1ccc(CSc2nc(C(C)(C)C)n[nH]2)cc1 ZINC000549035889 334183070 /nfs/dbraw/zinc/18/30/70/334183070.db2.gz CYFZFACTUKKAFC-UHFFFAOYSA-N 0 1 291.420 3.541 20 0 CHADMN COCc1ccc(CSc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000549035889 334183072 /nfs/dbraw/zinc/18/30/72/334183072.db2.gz CYFZFACTUKKAFC-UHFFFAOYSA-N 0 1 291.420 3.541 20 0 CHADMN CCCCN(CCOC)Cc1sccc1Cl ZINC000549349679 334190751 /nfs/dbraw/zinc/19/07/51/334190751.db2.gz BZDVQZGUJNKSFN-UHFFFAOYSA-N 0 1 261.818 3.650 20 0 CHADMN Clc1cnn([C@H]2CC[N@H+]([C@@H]3C=CCCCCC3)C2)c1 ZINC000549717985 334202730 /nfs/dbraw/zinc/20/27/30/334202730.db2.gz OFPVFBLJFPEIQN-CABCVRRESA-N 0 1 279.815 3.672 20 0 CHADMN CCCOc1ccc(CNCc2c(C)onc2CC)cc1 ZINC000549843775 334206455 /nfs/dbraw/zinc/20/64/55/334206455.db2.gz SAUURUMQOGXGBD-UHFFFAOYSA-N 0 1 288.391 3.624 20 0 CHADMN CC[C@@H](O)[C@H]1CCCCN1Cc1cccc(F)c1Cl ZINC000549857892 334206739 /nfs/dbraw/zinc/20/67/39/334206739.db2.gz UWAZMLJYDXOUKO-ZIAGYGMSSA-N 0 1 285.790 3.605 20 0 CHADMN CCC[C@@H](C)CN1CCO[C@@H](c2cccs2)C1 ZINC000245610154 334207189 /nfs/dbraw/zinc/20/71/89/334207189.db2.gz ATPRZHQNNPFLCO-CHWSQXEVSA-N 0 1 253.411 3.558 20 0 CHADMN FC(F)Oc1ccc(CN[C@H]2CCC[C@H]2F)cc1Cl ZINC000549938334 334209933 /nfs/dbraw/zinc/20/99/33/334209933.db2.gz WEWDOIPTNDJXAE-MNOVXSKESA-N 0 1 293.716 3.922 20 0 CHADMN CC(C)C[C@@H]1CCCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000138408812 334211897 /nfs/dbraw/zinc/21/18/97/334211897.db2.gz JWOXARQPUGBQPA-ZDUSSCGKSA-N 0 1 277.412 3.574 20 0 CHADMN CCCCN(Cc1ncnn1CC(C)C)C1CCCCC1 ZINC000550159631 334214761 /nfs/dbraw/zinc/21/47/61/334214761.db2.gz UXMHXFAIESYPNQ-UHFFFAOYSA-N 0 1 292.471 3.869 20 0 CHADMN CC(C)[C@H]1CN([C@@H](C)c2ccc(F)cc2F)CCCO1 ZINC000550186905 334215525 /nfs/dbraw/zinc/21/55/25/334215525.db2.gz SCXMXHRKWFISIK-BLLLJJGKSA-N 0 1 283.362 3.773 20 0 CHADMN CC(C)C1(N[C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000550274493 334218563 /nfs/dbraw/zinc/21/85/63/334218563.db2.gz DAMMJUPTRWRQDK-NSHDSACASA-N 0 1 250.386 3.811 20 0 CHADMN CC[C@H](C)CN(CC)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000245779971 334219166 /nfs/dbraw/zinc/21/91/66/334219166.db2.gz LZQFWDQZQWIFFL-NWDGAFQWSA-N 0 1 267.417 3.796 20 0 CHADMN CC[C@H](N[C@@H](C)c1cn2ccccc2n1)c1ccncc1 ZINC000550910262 334233281 /nfs/dbraw/zinc/23/32/81/334233281.db2.gz NOJWBUAJEDDZCX-ZFWWWQNUSA-N 0 1 280.375 3.531 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)cc1Cl)c1cc[nH]c(=O)c1 ZINC000551242356 334242868 /nfs/dbraw/zinc/24/28/68/334242868.db2.gz TXXJAXOCPVSMFT-NXEZZACHSA-N 0 1 294.757 3.992 20 0 CHADMN Cc1cc(CNCc2ccnc(OC(F)F)c2)c(C)s1 ZINC000551270015 334244222 /nfs/dbraw/zinc/24/42/22/334244222.db2.gz CMPVRILMYHHSRB-UHFFFAOYSA-N 0 1 298.358 3.651 20 0 CHADMN CC(C)C[C@@H](N[C@H]1CCC[C@H]1F)c1ccccn1 ZINC000551302168 334245682 /nfs/dbraw/zinc/24/56/82/334245682.db2.gz SOOVXDHNTVFLKH-VNHYZAJKSA-N 0 1 250.361 3.649 20 0 CHADMN CC[C@@H]1CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000246281071 334248261 /nfs/dbraw/zinc/24/82/61/334248261.db2.gz SYXZYJDYKKRGBJ-GHMZBOCLSA-N 0 1 298.789 3.538 20 0 CHADMN COc1ccccc1[C@H](N[C@H]1CCO[C@H]1C)c1ccccc1 ZINC000246280274 334248340 /nfs/dbraw/zinc/24/83/40/334248340.db2.gz BMFGEMHBBUMWIW-UCLAIMLFSA-N 0 1 297.398 3.552 20 0 CHADMN C[C@@H]1CN([C@H]2C=CCCC2)C[C@@H](c2ccccc2)O1 ZINC000246306134 334249845 /nfs/dbraw/zinc/24/98/45/334249845.db2.gz XNIPEUWRZPCFQA-PVAVHDDUSA-N 0 1 257.377 3.557 20 0 CHADMN FCCCCCSc1nc(Cc2ccccc2)n[nH]1 ZINC000551459603 334251010 /nfs/dbraw/zinc/25/10/10/334251010.db2.gz ODGHMVCNMAHJII-UHFFFAOYSA-N 0 1 279.384 3.627 20 0 CHADMN FCCCCCSc1n[nH]c(Cc2ccccc2)n1 ZINC000551459603 334251012 /nfs/dbraw/zinc/25/10/12/334251012.db2.gz ODGHMVCNMAHJII-UHFFFAOYSA-N 0 1 279.384 3.627 20 0 CHADMN CCC[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000551818412 334263398 /nfs/dbraw/zinc/26/33/98/334263398.db2.gz POKKMOWYJXVRNP-AWEZNQCLSA-N 0 1 297.402 3.729 20 0 CHADMN C[C@H]1CN(CC2CCCC2)C[C@@H](c2ccsc2)O1 ZINC000246651287 334266234 /nfs/dbraw/zinc/26/62/34/334266234.db2.gz XIGQEFFBXNOZER-WFASDCNBSA-N 0 1 265.422 3.700 20 0 CHADMN CCCCc1noc([C@H](C)N[C@@H]2CCCC[C@H]2C)n1 ZINC000246908457 334271630 /nfs/dbraw/zinc/27/16/30/334271630.db2.gz FYKURJYTCRGEJN-FRRDWIJNSA-N 0 1 265.401 3.642 20 0 CHADMN CC[C@@H](C)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000247182252 334277271 /nfs/dbraw/zinc/27/72/71/334277271.db2.gz LURBDBNCMGJCEZ-BXUZGUMPSA-N 0 1 253.773 3.512 20 0 CHADMN COCCCCCN1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000247347695 334279524 /nfs/dbraw/zinc/27/95/24/334279524.db2.gz GLXQJRUWKUZIQI-FUHWJXTLSA-N 0 1 291.435 3.574 20 0 CHADMN CCc1noc([C@H](C)N2CCC[C@](C)(c3ccccc3)C2)n1 ZINC000247473000 334282191 /nfs/dbraw/zinc/28/21/91/334282191.db2.gz RWIADFZUBJMWNV-KSSFIOAISA-N 0 1 299.418 3.747 20 0 CHADMN C[C@@H](O)CCN(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000247553434 334285479 /nfs/dbraw/zinc/28/54/79/334285479.db2.gz QDBBRJMZGQOSCA-NXEZZACHSA-N 0 1 276.207 3.757 20 0 CHADMN COC[C@@H]1CCCN([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000248567435 334306374 /nfs/dbraw/zinc/30/63/74/334306374.db2.gz PLKRDANWFNDAJV-NWDGAFQWSA-N 0 1 285.790 3.899 20 0 CHADMN Fc1ccc([C@H]2C[C@H](NCc3ncc(Cl)s3)C2)cc1 ZINC000552292283 334313841 /nfs/dbraw/zinc/31/38/41/334313841.db2.gz MARZCHLMSMXGQN-UMSPYCQHSA-N 0 1 296.798 3.971 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086783409 334315977 /nfs/dbraw/zinc/31/59/77/334315977.db2.gz XUPOEBHQOBTSIK-IAQYHMDHSA-N 0 1 281.783 3.588 20 0 CHADMN Cn1ccc(CN2CCC[C@@H](CCCc3ccccc3)C2)n1 ZINC000552326489 334317347 /nfs/dbraw/zinc/31/73/47/334317347.db2.gz SXXCLEBOFLWHOL-GOSISDBHSA-N 0 1 297.446 3.655 20 0 CHADMN CSCc1ccc(CN[C@H](C)c2ccoc2)cc1 ZINC000552337438 334318222 /nfs/dbraw/zinc/31/82/22/334318222.db2.gz UQPNHOFWPIZJQA-GFCCVEGCSA-N 0 1 261.390 3.993 20 0 CHADMN CCc1nocc1CN(C)Cc1cc(C)c(C)cc1C ZINC000552381396 334322176 /nfs/dbraw/zinc/32/21/76/334322176.db2.gz NMLSEYOYEIVBEO-UHFFFAOYSA-N 0 1 272.392 3.794 20 0 CHADMN COC(=O)[C@@H]1CCN([C@@H](C)c2ccccc2Cl)C[C@H]1C ZINC000248973088 334323539 /nfs/dbraw/zinc/32/35/39/334323539.db2.gz DBCUQDMNNDDNIN-FRRDWIJNSA-N 0 1 295.810 3.532 20 0 CHADMN COC(=O)[C@@H]1CCN([C@H](C)c2cccc(Cl)c2)C[C@H]1C ZINC000249034683 334325496 /nfs/dbraw/zinc/32/54/96/334325496.db2.gz FXLNGKODTYKJCP-LALPHHSUSA-N 0 1 295.810 3.532 20 0 CHADMN CC(C)[C@H]1CN(Cc2cnc(C(C)(C)C)s2)CCCO1 ZINC000552444232 334327731 /nfs/dbraw/zinc/32/77/31/334327731.db2.gz XQTTZMRUBBFJQT-CQSZACIVSA-N 0 1 296.480 3.688 20 0 CHADMN C[C@H]1CC[C@H](N[C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000249210608 334330282 /nfs/dbraw/zinc/33/02/82/334330282.db2.gz XWNJMZGDAWUVSW-FVQBIDKESA-N 0 1 269.392 3.667 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1N[C@H](C)c1nc(C2CC2)no1 ZINC000249514313 334335311 /nfs/dbraw/zinc/33/53/11/334335311.db2.gz PPMHVYMRSYWDKB-RAIGVLPGSA-N 0 1 295.452 3.662 20 0 CHADMN Cc1ccc(C)c(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000251142789 334357119 /nfs/dbraw/zinc/35/71/19/334357119.db2.gz DMBJCZATKVXPLT-OIISXLGYSA-N 0 1 287.403 3.521 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)NCc1ccn(C)c1 ZINC000091008231 334370789 /nfs/dbraw/zinc/37/07/89/334370789.db2.gz MTEXKLIUIVTWEB-CQSZACIVSA-N 0 1 272.392 3.663 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)Cc3cc(C)ccc3C)ccc12 ZINC000091827915 334383986 /nfs/dbraw/zinc/38/39/86/334383986.db2.gz JMECJVKFDLBXDF-UHFFFAOYSA-N 0 1 293.370 3.669 20 0 CHADMN CCc1ccccc1C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000091826231 334384002 /nfs/dbraw/zinc/38/40/02/334384002.db2.gz OJCBLRHPRLDPHK-UHFFFAOYSA-N 0 1 279.343 3.686 20 0 CHADMN CC=Cc1ccc(NC(=O)c2cc(-c3ccoc3)n[nH]2)cc1 ZINC000553693377 334395896 /nfs/dbraw/zinc/39/58/96/334395896.db2.gz BUUUJJMMPUVWMT-IHWYPQMZSA-N 0 1 293.326 3.955 20 0 CHADMN C[C@]1(NCc2nc3ccccc3[nH]2)CCCc2ccccc21 ZINC000553789756 334398841 /nfs/dbraw/zinc/39/88/41/334398841.db2.gz CNJUQABRFNJTOR-IBGZPJMESA-N 0 1 291.398 3.904 20 0 CHADMN Cc1cc(C(=O)Nc2nc3ccc(C)cc3[nH]2)sc1C ZINC000553812274 334399616 /nfs/dbraw/zinc/39/96/16/334399616.db2.gz SPTBDGJJYICGGE-UHFFFAOYSA-N 0 1 285.372 3.802 20 0 CHADMN CCc1cccc(CC(=O)Nc2nc3ccc(C)cc3[nH]2)c1 ZINC000553813486 334399718 /nfs/dbraw/zinc/39/97/18/334399718.db2.gz HIRBTSSQZPTCGY-UHFFFAOYSA-N 0 1 293.370 3.615 20 0 CHADMN C[C@H](NCc1nccc(C(F)F)n1)C1CCCCCC1 ZINC000554404445 334428783 /nfs/dbraw/zinc/42/87/83/334428783.db2.gz YMLDSSCYSYJNSW-NSHDSACASA-N 0 1 283.366 3.863 20 0 CHADMN CO[C@]1(C)C[C@H](N[C@H](C)c2nc3ccccc3o2)C1(C)C ZINC000554433263 334430099 /nfs/dbraw/zinc/43/00/99/334430099.db2.gz YTOZWVQUHNIDQL-HYSWKAIVSA-N 0 1 288.391 3.682 20 0 CHADMN Cc1cc(-c2noc([C@H](C)NC3CC(C)C3)n2)ccc1F ZINC000555434795 334478572 /nfs/dbraw/zinc/47/85/72/334478572.db2.gz NLNNJNZFYNKFQD-QDYJBQRPSA-N 0 1 289.354 3.633 20 0 CHADMN CC(F)(F)CN[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000555610388 334484498 /nfs/dbraw/zinc/48/44/98/334484498.db2.gz ZUXAWACKZLYUDL-ZIAGYGMSSA-N 0 1 253.336 3.643 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H]1F)c1ccccc1OC(F)F ZINC000556261478 334504555 /nfs/dbraw/zinc/50/45/55/334504555.db2.gz SQKUXPKPHZCSOI-ZMLRMANQSA-N 0 1 273.298 3.829 20 0 CHADMN FCC1(NCc2cnc(-c3cccs3)s2)CCC1 ZINC000564960823 334530736 /nfs/dbraw/zinc/53/07/36/334530736.db2.gz ILSPMCAUCRHPOJ-UHFFFAOYSA-N 0 1 282.409 3.853 20 0 CHADMN c1ccc2c(CN[C@@H]3CCCc4ccccc43)noc2c1 ZINC000565214974 334545404 /nfs/dbraw/zinc/54/54/04/334545404.db2.gz GGNHBKLKLLXART-MRXNPFEDSA-N 0 1 278.355 3.995 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](c2ccccc2F)[C@@H](C)O)cc1 ZINC000565838921 334601973 /nfs/dbraw/zinc/60/19/73/334601973.db2.gz VILVMLVROWKZSP-IYOUNJFTSA-N 0 1 287.378 3.907 20 0 CHADMN Cc1ccsc1CN[C@H](C)c1cn2ccccc2n1 ZINC000566473498 334651308 /nfs/dbraw/zinc/65/13/08/334651308.db2.gz BSOHGTFSXUQDLJ-GFCCVEGCSA-N 0 1 271.389 3.555 20 0 CHADMN CCc1nnc([C@H](C)N2CCC(C)(c3ccccc3)CC2)o1 ZINC000153778035 334679364 /nfs/dbraw/zinc/67/93/64/334679364.db2.gz STSWKHBINPBSCE-AWEZNQCLSA-N 0 1 299.418 3.747 20 0 CHADMN Cc1ccc2cc[nH+]c(NC3CCC(C(=O)[O-])CC3)c2c1 ZINC000567866372 334769939 /nfs/dbraw/zinc/76/99/39/334769939.db2.gz UUSPALYIRSMPKQ-UHFFFAOYSA-N 0 1 284.359 3.599 20 0 CHADMN Cc1nnsc1CN[C@H](c1ccccc1C)C(C)C ZINC000567884971 334771892 /nfs/dbraw/zinc/77/18/92/334771892.db2.gz DHAVGVAAZUQRIM-HNNXBMFYSA-N 0 1 275.421 3.642 20 0 CHADMN C[C@@H](NCc1ncc(C(F)(F)F)s1)C(C)(C)C ZINC000568042367 334787243 /nfs/dbraw/zinc/78/72/43/334787243.db2.gz BWZLKEUIZRRTMV-SSDOTTSWSA-N 0 1 266.332 3.686 20 0 CHADMN COc1ccc(CNCc2ccc(F)c(C)c2)c(F)c1 ZINC000568155000 334797171 /nfs/dbraw/zinc/79/71/71/334797171.db2.gz PWSXXWQQWBBUBL-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN C[C@H]1C[C@H](Nc2ccc(F)cn2)CC[N@H+]1Cc1ccccc1 ZINC000342562085 335182988 /nfs/dbraw/zinc/18/29/88/335182988.db2.gz HKXQGQHNYRDQFQ-WMLDXEAASA-N 0 1 299.393 3.686 20 0 CHADMN Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000576461921 335206619 /nfs/dbraw/zinc/20/66/19/335206619.db2.gz OCNFEMQPCNGDRY-CYBMUJFWSA-N 0 1 267.800 3.648 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000576589656 335223303 /nfs/dbraw/zinc/22/33/03/335223303.db2.gz AXPYUGWVAFTTDW-BXUZGUMPSA-N 0 1 281.783 3.588 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000576589659 335223558 /nfs/dbraw/zinc/22/35/58/335223558.db2.gz AXPYUGWVAFTTDW-FZMZJTMJSA-N 0 1 281.783 3.588 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CC[C@H](C2CC2)C1 ZINC000344009294 335231664 /nfs/dbraw/zinc/23/16/64/335231664.db2.gz QULCZWVBDPXIKI-INIZCTEOSA-N 0 1 287.403 3.520 20 0 CHADMN Cc1cc([C@@H](C)[N@H+]2CCC[C@@H]2c2ccco2)oc1C(=O)[O-] ZINC000576710132 335238605 /nfs/dbraw/zinc/23/86/05/335238605.db2.gz AZZKWDQYHGHPMN-VXGBXAGGSA-N 0 1 289.331 3.777 20 0 CHADMN Cc1csc(CN[C@H](C)c2nc3ccccc3n2C)c1 ZINC000344607839 335259282 /nfs/dbraw/zinc/25/92/82/335259282.db2.gz GHMGFLQTJHCWCD-GFCCVEGCSA-N 0 1 285.416 3.794 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CCCCC(=O)[O-])C2CC2)o1 ZINC000580574640 335288111 /nfs/dbraw/zinc/28/81/11/335288111.db2.gz FKXZWWGBBZRQRJ-IUODEOHRSA-N 0 1 291.391 3.622 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000577125393 335305243 /nfs/dbraw/zinc/30/52/43/335305243.db2.gz BQVHNVPBDCBMNN-HXFGOILCSA-N 0 1 293.794 3.729 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1csc(N(C)C2CC2)n1 ZINC000580640888 335309182 /nfs/dbraw/zinc/30/91/82/335309182.db2.gz GOWSYFYEFNTNPU-GFCCVEGCSA-N 0 1 281.469 3.752 20 0 CHADMN CCCC[C@H](C)N(C)Cc1csc(N(C)C2CC2)n1 ZINC000580640898 335309214 /nfs/dbraw/zinc/30/92/14/335309214.db2.gz GOWSYFYEFNTNPU-LBPRGKRZSA-N 0 1 281.469 3.752 20 0 CHADMN Oc1cccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000176634498 335314683 /nfs/dbraw/zinc/31/46/83/335314683.db2.gz BEYYXDLWGCBWCF-QGZVFWFLSA-N 0 1 295.382 3.928 20 0 CHADMN CC(C)[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1ccccc1 ZINC000345344990 335316522 /nfs/dbraw/zinc/31/65/22/335316522.db2.gz BGFLPIILBRWPRO-IMJJTQAJSA-N 0 1 269.392 3.876 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000577183893 335318517 /nfs/dbraw/zinc/31/85/17/335318517.db2.gz FSWHVMKQZBYPIQ-ZDUSSCGKSA-N 0 1 293.407 3.798 20 0 CHADMN Cc1ccnc([C@@H]2CCN(Cc3cc(F)cc(F)c3)C2)c1 ZINC000577230725 335327089 /nfs/dbraw/zinc/32/70/89/335327089.db2.gz WZORGQJCXJYBLD-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN CCCC[C@H](C)N(C)Cc1nccn1Cc1ccccc1 ZINC000577307957 335337525 /nfs/dbraw/zinc/33/75/25/335337525.db2.gz BBEBNHWILWLTDK-INIZCTEOSA-N 0 1 285.435 3.942 20 0 CHADMN Clc1cc2c(s1)CCN(CC[C@H]1CCCCO1)C2 ZINC000577391367 335347452 /nfs/dbraw/zinc/34/74/52/335347452.db2.gz SRIDWQOEHPMRKJ-GFCCVEGCSA-N 0 1 285.840 3.719 20 0 CHADMN Cc1ccc(NC(=O)CN(C)CC(C)(C)C)c(Cl)c1 ZINC000577515543 335363449 /nfs/dbraw/zinc/36/34/49/335363449.db2.gz QVFWHEHENXHVGJ-UHFFFAOYSA-N 0 1 282.815 3.565 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CCN1Cc1nc(C(C)(C)C)no1 ZINC000177533326 335373836 /nfs/dbraw/zinc/37/38/36/335373836.db2.gz CZLCLSDPKQLUFO-DZGCQCFKSA-N 0 1 299.418 3.745 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1nc(C(C)(C)C)no1 ZINC000177533344 335373905 /nfs/dbraw/zinc/37/39/05/335373905.db2.gz CZLCLSDPKQLUFO-HIFRSBDPSA-N 0 1 299.418 3.745 20 0 CHADMN Cc1nnsc1CN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000577615113 335378446 /nfs/dbraw/zinc/37/84/46/335378446.db2.gz BERRAJZMBXTGIZ-BOLDSZDNSA-N 0 1 285.416 3.524 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)s2)C[C@@H]1C(=O)[O-] ZINC000577633648 335383565 /nfs/dbraw/zinc/38/35/65/335383565.db2.gz RQZYDHIGHUQCHA-AAEUAGOBSA-N 0 1 295.448 3.588 20 0 CHADMN CC(C)(C)CCC[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000577642679 335384928 /nfs/dbraw/zinc/38/49/28/335384928.db2.gz QHCBCEWPVFIFSC-SFHVURJKSA-N 0 1 289.419 3.541 20 0 CHADMN CCCC1CCC(C[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000577751980 335397443 /nfs/dbraw/zinc/39/74/43/335397443.db2.gz YESWLZIINWQITM-LMPOIIKSSA-N 0 1 281.440 3.636 20 0 CHADMN Cc1noc([C@H](C)NC2CCC(c3ccccc3)CC2)n1 ZINC000578039111 335470376 /nfs/dbraw/zinc/47/03/76/335470376.db2.gz NESFVISERLZSQJ-JQRITLKVSA-N 0 1 285.391 3.755 20 0 CHADMN Cc1ccc(CN[C@@H]2c3ccccc3O[C@@H]2C)cc1 ZINC000578169227 335540631 /nfs/dbraw/zinc/54/06/31/335540631.db2.gz UHIZCUAEOUBGOD-DYVFJYSZSA-N 0 1 253.345 3.607 20 0 CHADMN C[C@@H]1CCC[C@@H](Cc2nc(-c3ccn4cncc4c3)no2)C1 ZINC000351044395 335560952 /nfs/dbraw/zinc/56/09/52/335560952.db2.gz GPDYGVZLTJZXKC-CHWSQXEVSA-N 0 1 296.374 3.753 20 0 CHADMN C[C@@H]1CCC[C@H](Cc2nc(-c3ccn4cncc4c3)no2)C1 ZINC000351044396 335561006 /nfs/dbraw/zinc/56/10/06/335561006.db2.gz GPDYGVZLTJZXKC-OLZOCXBDSA-N 0 1 296.374 3.753 20 0 CHADMN COCc1noc([C@H](C)N[C@@H](CCC(C)C)C(C)(C)C)n1 ZINC000181335253 335758380 /nfs/dbraw/zinc/75/83/80/335758380.db2.gz XBSCKKYDIOOCLZ-STQMWFEESA-N 0 1 297.443 3.718 20 0 CHADMN Cc1cncc(CN[C@H]2CC(C)(C)Cc3occc32)c1 ZINC000181841556 335787725 /nfs/dbraw/zinc/78/77/25/335787725.db2.gz OVYHEFJYYLSNCD-HNNXBMFYSA-N 0 1 270.376 3.786 20 0 CHADMN CC1(C)CC[C@@H]1NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000579608371 335821271 /nfs/dbraw/zinc/82/12/71/335821271.db2.gz RSRBDJAPXPFASH-LBPRGKRZSA-N 0 1 291.782 3.668 20 0 CHADMN CCSCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000363235873 335878888 /nfs/dbraw/zinc/87/88/88/335878888.db2.gz FLGHZHYFMOJKSQ-INIZCTEOSA-N 0 1 272.417 3.514 20 0 CHADMN CC1CCN(Cc2c(C3CC3)nc3sccn23)CC1 ZINC000183470872 335894578 /nfs/dbraw/zinc/89/45/78/335894578.db2.gz WMBDADUGJBENHW-UHFFFAOYSA-N 0 1 275.421 3.505 20 0 CHADMN Cc1ccccc1Cc1nnc(CN[C@H](C)C2CCCC2)o1 ZINC000184653082 335930630 /nfs/dbraw/zinc/93/06/30/335930630.db2.gz RHOGHJAXEZXPPZ-CQSZACIVSA-N 0 1 299.418 3.637 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](CC)Cc1ccc(Cl)s1 ZINC000581136711 336014076 /nfs/dbraw/zinc/01/40/76/336014076.db2.gz ARCPSUFUPNFRHH-LLVKDONJSA-N 0 1 289.828 3.867 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccc(C)cc2)nc1 ZINC000380879468 336038485 /nfs/dbraw/zinc/03/84/85/336038485.db2.gz JGHQSTUDBQDCCJ-CQSZACIVSA-N 0 1 254.377 3.803 20 0 CHADMN CCc1cccc(CN[C@H](C)c2n[nH]c([C@H](C)CC)n2)c1 ZINC000581315191 336047120 /nfs/dbraw/zinc/04/71/20/336047120.db2.gz UZJNAFGBFLGEFT-CHWSQXEVSA-N 0 1 286.423 3.731 20 0 CHADMN COc1ccc([C@H](NCc2nccn2C(C)C)C2CC2)cc1 ZINC000195514167 336055291 /nfs/dbraw/zinc/05/52/91/336055291.db2.gz YLIHTTSUNIEKNR-GOSISDBHSA-N 0 1 299.418 3.714 20 0 CHADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)C[C@H]1CCCCC1(F)F ZINC000381493640 336066637 /nfs/dbraw/zinc/06/66/37/336066637.db2.gz IFWCHBAZVUTUTC-CQSZACIVSA-N 0 1 297.345 3.642 20 0 CHADMN CCCCN(Cc1cccc(C(=O)OC)c1Cl)C1CC1 ZINC000381665887 336070441 /nfs/dbraw/zinc/07/04/41/336070441.db2.gz KKGUFGNSUIOOKW-UHFFFAOYSA-N 0 1 295.810 3.891 20 0 CHADMN FCC1(NCc2ccccc2C(F)(F)F)CCC1 ZINC000581549440 336100775 /nfs/dbraw/zinc/10/07/75/336100775.db2.gz QXDGMWOOCLSKRA-UHFFFAOYSA-N 0 1 261.262 3.687 20 0 CHADMN C[C@@H](NCc1cccc(O)c1Cl)c1cccs1 ZINC000383032040 336102544 /nfs/dbraw/zinc/10/25/44/336102544.db2.gz BLKSKWVETJCSQI-SECBINFHSA-N 0 1 267.781 3.958 20 0 CHADMN C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000383184844 336105767 /nfs/dbraw/zinc/10/57/67/336105767.db2.gz QOYRZIRJYGCMEQ-WDEREUQCSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cccc([O-])c1Cl ZINC000383184844 336105769 /nfs/dbraw/zinc/10/57/69/336105769.db2.gz QOYRZIRJYGCMEQ-WDEREUQCSA-N 0 1 253.773 3.666 20 0 CHADMN CCc1ccc(CC(=O)Nc2nc3ccc(C)cc3[nH]2)cc1 ZINC000581613372 336112420 /nfs/dbraw/zinc/11/24/20/336112420.db2.gz DLNHEOATZITZIQ-UHFFFAOYSA-N 0 1 293.370 3.615 20 0 CHADMN Cc1nsc(C)c1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000581615543 336112924 /nfs/dbraw/zinc/11/29/24/336112924.db2.gz KMSVEGFLQMFUPN-SNVBAGLBSA-N 0 1 278.343 3.534 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1cccc(O)c1 ZINC000384003061 336121339 /nfs/dbraw/zinc/12/13/39/336121339.db2.gz WRYCQILCIYLNHQ-CYBMUJFWSA-N 0 1 271.360 3.560 20 0 CHADMN Cc1ccc(NC(=O)CN2CC[C@H](C)C(C)(C)C2)c(C)c1 ZINC000581697083 336129275 /nfs/dbraw/zinc/12/92/75/336129275.db2.gz PZAVPARKCUMYBF-HNNXBMFYSA-N 0 1 288.435 3.610 20 0 CHADMN CC/C=C/CNCc1nc2ccccc2n1CCC ZINC000384791632 336131316 /nfs/dbraw/zinc/13/13/16/336131316.db2.gz VRASHERXWVBWNN-VMPITWQZSA-N 0 1 257.381 3.502 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCC1=CCCCC1 ZINC000385104031 336138259 /nfs/dbraw/zinc/13/82/59/336138259.db2.gz BLGJRDNFFVDPOA-XHSDSOJGSA-N 0 1 277.408 3.595 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@H+](CCC1=CCCCC1)CC2 ZINC000385172966 336141380 /nfs/dbraw/zinc/14/13/80/336141380.db2.gz MLNBERANSXNJGG-UHFFFAOYSA-N 0 1 285.387 3.633 20 0 CHADMN CCn1ccnc1CN[C@H](C)c1cc2c(s1)CCCC2 ZINC000385420461 336146163 /nfs/dbraw/zinc/14/61/63/336146163.db2.gz ARJHTCQNQXXMLO-GFCCVEGCSA-N 0 1 289.448 3.694 20 0 CHADMN CCc1cnc(CN[C@H](CC)c2ccccc2)s1 ZINC000130461204 522041501 /nfs/dbraw/zinc/04/15/01/522041501.db2.gz KXCYRHKTYWNMPF-CQSZACIVSA-N 0 1 260.406 3.946 20 0 CHADMN Cc1cc(CN[C@H]2CCc3c2c(F)ccc3F)cc(C)n1 ZINC000334982656 533738174 /nfs/dbraw/zinc/73/81/74/533738174.db2.gz RLACSASIDPGBSO-INIZCTEOSA-N 0 1 288.341 3.754 20 0 CHADMN Cc1cc(CN[C@H]2COCc3ccccc32)c(C)s1 ZINC000334930647 533738310 /nfs/dbraw/zinc/73/83/10/533738310.db2.gz BRWZWMNEQFMZLW-INIZCTEOSA-N 0 1 273.401 3.726 20 0 CHADMN C[C@@H]1CCC[C@@H](CC(=O)Nc2ccc3nc[nH]c3c2)C1 ZINC000352631570 533740451 /nfs/dbraw/zinc/74/04/51/533740451.db2.gz XOQZSBNGZKFMNQ-VXGBXAGGSA-N 0 1 271.364 3.718 20 0 CHADMN COc1cccc2c1CCN(Cc1ccsc1C)C2 ZINC000352852048 533859486 /nfs/dbraw/zinc/85/94/86/533859486.db2.gz CWIVTPVHJZWQAU-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN CSCc1cnc(CN2CC[C@@H](CC3CC3)C2)s1 ZINC000354522994 533870063 /nfs/dbraw/zinc/87/00/63/533870063.db2.gz BHNQOTAVHUIERP-LBPRGKRZSA-N 0 1 282.478 3.628 20 0 CHADMN Cc1ccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)o1 ZINC000352671287 533905278 /nfs/dbraw/zinc/90/52/78/533905278.db2.gz MQOGAOXDKDEUNL-KRWDZBQOSA-N 0 1 285.387 3.769 20 0 CHADMN CCc1ncc(CNCc2cccc(Cl)c2)s1 ZINC000053148287 522552640 /nfs/dbraw/zinc/55/26/40/522552640.db2.gz ZNVKXVAGEFSLPS-UHFFFAOYSA-N 0 1 266.797 3.649 20 0 CHADMN Cc1c([C@@H](C)N[C@@H](C)c2nccc3ccccc32)cnn1C ZINC000353428599 533948009 /nfs/dbraw/zinc/94/80/09/533948009.db2.gz RXQDTKVURLUFDZ-OLZOCXBDSA-N 0 1 294.402 3.689 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)nc1 ZINC000336228233 533950370 /nfs/dbraw/zinc/95/03/70/533950370.db2.gz RQUXCKLBVKYCJB-RYUDHWBXSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1ccc(CN2CCc3ccccc3[C@@H]2C)nc1 ZINC000353402050 533957322 /nfs/dbraw/zinc/95/73/22/533957322.db2.gz JMGSPNUQWYYGKJ-AWEZNQCLSA-N 0 1 252.361 3.509 20 0 CHADMN Cc1cn[nH]c1CN1CCc2cc(Cl)cc(Cl)c2C1 ZINC000356124542 533995974 /nfs/dbraw/zinc/99/59/74/533995974.db2.gz JJVYFRABXOULRP-UHFFFAOYSA-N 0 1 296.201 3.583 20 0 CHADMN C[C@H](N[C@H]1CCC[C@H]1C)c1nc(C2CCCCC2)no1 ZINC000330142057 534002536 /nfs/dbraw/zinc/00/25/36/534002536.db2.gz XZXMJDNNNHPRNU-DYEKYZERSA-N 0 1 277.412 3.957 20 0 CHADMN CS[C@@H]1CC[C@H]1N[C@@H](c1ccco1)c1ccccc1 ZINC000346595685 534004533 /nfs/dbraw/zinc/00/45/33/534004533.db2.gz FTEQDVNMQAAVBV-FVQBIDKESA-N 0 1 273.401 3.853 20 0 CHADMN C[C@H](Nc1cc2c(cn1)CCCC2)c1nccs1 ZINC000336032050 534019147 /nfs/dbraw/zinc/01/91/47/534019147.db2.gz SERHPBFBZXDTSK-JTQLQIEISA-N 0 1 259.378 3.590 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCCC2(CC2)C1 ZINC000352279845 534040717 /nfs/dbraw/zinc/04/07/17/534040717.db2.gz MJPGYHIVMQXREO-NSHDSACASA-N 0 1 251.320 3.902 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN(C[C@H]2CC[C@@H](C)O2)C2CC2)o1 ZINC000354873671 534050273 /nfs/dbraw/zinc/05/02/73/534050273.db2.gz DGCZBMDAWDBJEZ-GKLJAUDBSA-N 0 1 289.419 3.935 20 0 CHADMN Cc1cc(C)cc(NC(=O)[C@H](C)N2CCCC3(CC3)C2)c1 ZINC000352280570 534081173 /nfs/dbraw/zinc/08/11/73/534081173.db2.gz RYXCNLAPVINQSX-HNNXBMFYSA-N 0 1 286.419 3.506 20 0 CHADMN Cc1cc(C)n(CCN2CC(C)(C)[C@H]2c2cccs2)n1 ZINC000347619763 534108844 /nfs/dbraw/zinc/10/88/44/534108844.db2.gz QQTGHUKNTPPYPQ-OAHLLOKOSA-N 0 1 289.448 3.645 20 0 CHADMN C[C@H]1CCCN(Cc2cscc2Br)C1 ZINC000347662436 534174849 /nfs/dbraw/zinc/17/48/49/534174849.db2.gz ASYXVKCDTVDVHU-VIFPVBQESA-N 0 1 274.227 3.743 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1cc2cccnc2o1 ZINC000336226344 534228708 /nfs/dbraw/zinc/22/87/08/534228708.db2.gz RZWDTXXPLQRSSJ-MFKMUULPSA-N 0 1 298.308 3.991 20 0 CHADMN CCC(CC)c1cc(CNc2ccnc(C)c2Cl)on1 ZINC000509070286 517538320 /nfs/dbraw/zinc/53/83/20/517538320.db2.gz RFDCIPAKCZZIDR-UHFFFAOYSA-N 0 1 293.798 3.969 20 0 CHADMN CCOc1cc(Cl)ccc1CN[C@@H](C)c1cccnc1 ZINC000155170856 517723579 /nfs/dbraw/zinc/72/35/79/517723579.db2.gz ZGZLDZLDAZUTSH-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN Cc1cc(NS(=O)(=O)c2ccccc2Cl)ccc1F ZINC000485103885 518187698 /nfs/dbraw/zinc/18/76/98/518187698.db2.gz VJLWHZSDDOWXJE-UHFFFAOYSA-N 0 1 299.754 3.588 20 0 CHADMN Cc1nc(CN2CCSC3(CCC3)CC2)c(C)s1 ZINC000334732890 534363887 /nfs/dbraw/zinc/36/38/87/534363887.db2.gz ZSSBITPSMUZBRQ-UHFFFAOYSA-N 0 1 282.478 3.622 20 0 CHADMN CC(C)(C)CC(C)(C)NC(=O)c1cccc2nc[nH]c21 ZINC000157873144 518629838 /nfs/dbraw/zinc/62/98/38/518629838.db2.gz XPKRPFBDYNFQQO-UHFFFAOYSA-N 0 1 273.380 3.508 20 0 CHADMN CC(C)(NCc1cncc(F)c1)c1ccc(F)c(F)c1 ZINC000275040624 519323879 /nfs/dbraw/zinc/32/38/79/519323879.db2.gz GULBWVPONADLEC-UHFFFAOYSA-N 0 1 280.293 3.524 20 0 CHADMN CC(C)(NCc1cccc(O)c1)c1cccc(F)c1 ZINC000076901846 519325975 /nfs/dbraw/zinc/32/59/75/519325975.db2.gz ZVLIHWHOBAICRE-UHFFFAOYSA-N 0 1 259.324 3.556 20 0 CHADMN CC(C)C[C@H](N)c1noc(Cc2cccc3ccccc32)n1 ZINC000339399345 519378037 /nfs/dbraw/zinc/37/80/37/519378037.db2.gz ZSAMMRBOJOVWTR-INIZCTEOSA-N 0 1 295.386 3.860 20 0 CHADMN CC(C)C1(N[C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000293172307 519557163 /nfs/dbraw/zinc/55/71/63/519557163.db2.gz WHFFCWNFYGCXGA-LBPRGKRZSA-N 0 1 271.364 3.576 20 0 CHADMN CC(C)CCCN[C@H](c1nccn1C)c1cccc(F)c1 ZINC000338424295 519642132 /nfs/dbraw/zinc/64/21/32/519642132.db2.gz VUYRRULSBDKKEP-INIZCTEOSA-N 0 1 289.398 3.674 20 0 CHADMN CC(C)N(Cc1cn2cccnc2n1)[C@@H](C)c1ccccc1 ZINC000292051184 519662729 /nfs/dbraw/zinc/66/27/29/519662729.db2.gz BEXOOZDSNFEZLA-HNNXBMFYSA-N 0 1 294.402 3.701 20 0 CHADMN CC(C)N(Cc1cn2cccnc2n1)[C@H](C)c1ccccc1 ZINC000292051187 519662765 /nfs/dbraw/zinc/66/27/65/519662765.db2.gz BEXOOZDSNFEZLA-OAHLLOKOSA-N 0 1 294.402 3.701 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)c2cncs2)c1 ZINC000121641095 519747427 /nfs/dbraw/zinc/74/74/27/519747427.db2.gz RBFPZMIEEUHNAS-MNOVXSKESA-N 0 1 289.404 3.513 20 0 CHADMN CC(C)Oc1ccc(CN[C@H](C)c2ccccn2)cc1 ZINC000037218806 519779969 /nfs/dbraw/zinc/77/99/69/519779969.db2.gz KIZFZPINOCQMNP-CQSZACIVSA-N 0 1 270.376 3.720 20 0 CHADMN CC(C)[C@H](NCc1ccn(C(C)C)n1)c1ccccc1 ZINC000265359012 519821031 /nfs/dbraw/zinc/82/10/31/519821031.db2.gz WIFKKWHHEIFQHT-KRWDZBQOSA-N 0 1 271.408 3.951 20 0 CHADMN CC(C)c1cccc(NC(=O)c2ccc(CN(C)C)nc2)c1 ZINC000339226902 519842387 /nfs/dbraw/zinc/84/23/87/519842387.db2.gz AHRLKINTTPJYKL-UHFFFAOYSA-N 0 1 297.402 3.519 20 0 CHADMN Cc1ccc2cc(CN3CC4(CCC4(F)F)C3)ccc2n1 ZINC000336017954 534467190 /nfs/dbraw/zinc/46/71/90/534467190.db2.gz LPGHBQOFOXZRND-UHFFFAOYSA-N 0 1 288.341 3.774 20 0 CHADMN CCN(C(=O)c1cccc2nc(C)[nH]c21)c1ccc(F)cc1 ZINC000338501766 520104075 /nfs/dbraw/zinc/10/40/75/520104075.db2.gz RNWBGFKWEBKIIK-UHFFFAOYSA-N 0 1 297.333 3.677 20 0 CHADMN CC(C)n1nccc1CNCc1ccc(F)c(Cl)c1 ZINC000280825078 520107939 /nfs/dbraw/zinc/10/79/39/520107939.db2.gz JCKGAMQECIVMFD-UHFFFAOYSA-N 0 1 281.762 3.546 20 0 CHADMN CCOC[C@@H]1CCCN([C@@H](C)c2c(F)cccc2F)C1 ZINC000072977291 520118373 /nfs/dbraw/zinc/11/83/73/520118373.db2.gz IBPYPOCUKAAQIK-QWHCGFSZSA-N 0 1 283.362 3.774 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(F)F)cc2)[C@H](C)[C@H](C)O1 ZINC000354916252 534473961 /nfs/dbraw/zinc/47/39/61/534473961.db2.gz GCVHQPISAFFHNY-UTUOFQBUSA-N 0 1 269.335 3.622 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(F)F)cc2)[C@@H](C)[C@@H](C)O1 ZINC000354915894 534474528 /nfs/dbraw/zinc/47/45/28/534474528.db2.gz GCVHQPISAFFHNY-GRYCIOLGSA-N 0 1 269.335 3.622 20 0 CHADMN CCCCC[C@@H](NCc1nccn1C)c1ccccc1 ZINC000071141184 520294860 /nfs/dbraw/zinc/29/48/60/520294860.db2.gz PRCVDMQYXUCZIR-MRXNPFEDSA-N 0 1 271.408 3.831 20 0 CHADMN CC1(C)CCN(Cc2nc3ccccc3s2)CC1 ZINC000339253277 520380534 /nfs/dbraw/zinc/38/05/34/520380534.db2.gz LBXWGEZIVYYTFY-UHFFFAOYSA-N 0 1 260.406 3.918 20 0 CHADMN Fc1ccc([C@H](NCC2CCC2)c2cccnc2)c(F)c1 ZINC000346480935 534492869 /nfs/dbraw/zinc/49/28/69/534492869.db2.gz GYHHNHPNLCVKNC-QGZVFWFLSA-N 0 1 288.341 3.839 20 0 CHADMN CC1(C)CN(Cc2cnc3ccccc3c2)[C@@H]1[C@@H]1CCCO1 ZINC000289730606 520485267 /nfs/dbraw/zinc/48/52/67/520485267.db2.gz KCEDMUQODCQJHN-ZWKOTPCHSA-N 0 1 296.414 3.624 20 0 CHADMN CCOc1cc(CN[C@H](C)c2ccco2)ccc1OC ZINC000035136994 520730792 /nfs/dbraw/zinc/73/07/92/520730792.db2.gz JGBPLUYBIXPYKX-GFCCVEGCSA-N 0 1 275.348 3.538 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2csc(C)n2)C1 ZINC000340690861 520954644 /nfs/dbraw/zinc/95/46/44/520954644.db2.gz JAKMHWYJEPWWBM-AWEZNQCLSA-N 0 1 252.427 3.854 20 0 CHADMN Cc1nc(SCc2ccnc(C)n2)[nH]c1-c1ccccc1 ZINC000355948627 534531494 /nfs/dbraw/zinc/53/14/94/534531494.db2.gz LFTCTCZBCCDYTF-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN Fc1ccccc1SCCN1CCCc2occc2C1 ZINC000344241176 534531886 /nfs/dbraw/zinc/53/18/86/534531886.db2.gz WDZCRHGJVBWATJ-UHFFFAOYSA-N 0 1 291.391 3.959 20 0 CHADMN CC[N@@H+](CCCC(=O)[O-])Cc1ccc2ccccc2c1 ZINC000262231470 521000116 /nfs/dbraw/zinc/00/01/16/521000116.db2.gz MJDCDSHCYKKSJZ-UHFFFAOYSA-N 0 1 271.360 3.527 20 0 CHADMN CCOc1ccc(CNCc2cc(F)ccc2F)cc1 ZINC000063559250 521005131 /nfs/dbraw/zinc/00/51/31/521005131.db2.gz HJHQXSDLFFUJRD-UHFFFAOYSA-N 0 1 277.314 3.653 20 0 CHADMN CCCC[C@@H](C)[C@H](C)NCc1nccc(C(F)F)n1 ZINC000290343485 521012149 /nfs/dbraw/zinc/01/21/49/521012149.db2.gz POHMMWDXNHBXBR-MNOVXSKESA-N 0 1 271.355 3.719 20 0 CHADMN CCCC[C@@H](NCc1n[nH]cc1C)c1ccc(OC)cc1 ZINC000289719067 521100732 /nfs/dbraw/zinc/10/07/32/521100732.db2.gz CUPGPHUONSWYOS-MRXNPFEDSA-N 0 1 287.407 3.748 20 0 CHADMN CCC[C@H](N[C@@H]1CCCc2c[nH]nc21)c1ccsc1 ZINC000276927349 521173850 /nfs/dbraw/zinc/17/38/50/521173850.db2.gz NLXAHMFDNGZSLT-UONOGXRCSA-N 0 1 275.421 3.980 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2ccco2)cc1OCC ZINC000061014094 521223798 /nfs/dbraw/zinc/22/37/98/521223798.db2.gz UOXBKTJBYDNQDO-CYBMUJFWSA-N 0 1 289.375 3.928 20 0 CHADMN Cc1cnc(CN2CC[C@H](C(C)(C)C)C[C@@H]2C)o1 ZINC000347581754 534551968 /nfs/dbraw/zinc/55/19/68/534551968.db2.gz OKLPHGWIJOWYDQ-AAEUAGOBSA-N 0 1 250.386 3.630 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000338570530 521261184 /nfs/dbraw/zinc/26/11/84/521261184.db2.gz DGZYONGHRFBPIK-WBMJQRKESA-N 0 1 299.418 3.912 20 0 CHADMN CCN(Cc1c(F)cccc1F)[C@@H]1CCOC(C)(C)C1 ZINC000289690907 521281482 /nfs/dbraw/zinc/28/14/82/521281482.db2.gz GXLZUZNPQLPLTN-GFCCVEGCSA-N 0 1 283.362 3.744 20 0 CHADMN CCN(Cc1cc(F)cc(F)c1)[C@H](C)c1cccnc1 ZINC000290514987 521292648 /nfs/dbraw/zinc/29/26/48/521292648.db2.gz PUNCDKBALUBFGF-GFCCVEGCSA-N 0 1 276.330 3.943 20 0 CHADMN CCC[C@](C)(O)CNCc1csc(-c2cccs2)n1 ZINC000264845094 521294913 /nfs/dbraw/zinc/29/49/13/521294913.db2.gz JTQTYWYULOTYOX-AWEZNQCLSA-N 0 1 296.461 3.512 20 0 CHADMN CCOc1cccc(CN[C@@H]2CCOc3ccccc32)c1 ZINC000037678807 521374614 /nfs/dbraw/zinc/37/46/14/521374614.db2.gz IPYQIMNXYCHKSR-QGZVFWFLSA-N 0 1 283.371 3.699 20 0 CHADMN CCN(Cc1csc(-c2ccoc2)n1)CC1CC1 ZINC000070013511 521441927 /nfs/dbraw/zinc/44/19/27/521441927.db2.gz CIDHWDPSDUKTTN-UHFFFAOYSA-N 0 1 262.378 3.635 20 0 CHADMN CCOc1ccccc1CNCc1ccc(C(C)(C)O)cc1 ZINC000187502499 521502661 /nfs/dbraw/zinc/50/26/61/521502661.db2.gz QWQLMIYPQJMXCG-UHFFFAOYSA-N 0 1 299.414 3.603 20 0 CHADMN CCOc1ccccc1CN[C@@H]1CCCc2ccc(O)cc21 ZINC000281035089 521505311 /nfs/dbraw/zinc/50/53/11/521505311.db2.gz PNLOYDZCLBKYBX-GOSISDBHSA-N 0 1 297.398 3.958 20 0 CHADMN CCOc1ccccc1CN[C@@H](C)c1cccs1 ZINC000020148173 521505591 /nfs/dbraw/zinc/50/55/91/521505591.db2.gz VGDCWSGVXLKZEF-LBPRGKRZSA-N 0 1 261.390 3.998 20 0 CHADMN CCOc1ncccc1CN[C@H](CC)c1cccs1 ZINC000151191919 521621739 /nfs/dbraw/zinc/62/17/39/521621739.db2.gz BVSYTAATVYMIPG-CYBMUJFWSA-N 0 1 276.405 3.783 20 0 CHADMN CCCN(Cc1ccnn1C(C)C)Cc1ccccc1 ZINC000337127711 521692248 /nfs/dbraw/zinc/69/22/48/521692248.db2.gz HIIUWEBOUKMGQK-UHFFFAOYSA-N 0 1 271.408 3.876 20 0 CHADMN Cc1occc1CN[C@@H]1CCCOc2ccccc21 ZINC000334859787 534583043 /nfs/dbraw/zinc/58/30/43/534583043.db2.gz YJLDMXNWBRMAIZ-OAHLLOKOSA-N 0 1 257.333 3.592 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H]2CC[C@H](C)C[C@@H]2C)n1 ZINC000119276909 521729542 /nfs/dbraw/zinc/72/95/42/521729542.db2.gz SVZQAARVDUODEQ-WUHRBBMRSA-N 0 1 297.468 3.798 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2ccc(F)c(C)c2)n[nH]1 ZINC000277452565 522052039 /nfs/dbraw/zinc/05/20/39/522052039.db2.gz PMRVOIBTFHKWHZ-CMPLNLGQSA-N 0 1 290.386 3.617 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2cc3ccccc3o2)n[nH]1 ZINC000277148142 522053311 /nfs/dbraw/zinc/05/33/11/522053311.db2.gz FMRXWCZKWKPMFS-RYUDHWBXSA-N 0 1 298.390 3.915 20 0 CHADMN CC[C@@H](C)N(C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000157002180 522062334 /nfs/dbraw/zinc/06/23/34/522062334.db2.gz LBLOOWFUTRTWET-SNVBAGLBSA-N 0 1 280.318 3.850 20 0 CHADMN COc1cc(C)c(CN(C)Cc2ccsc2)cc1OC ZINC000102675672 522189718 /nfs/dbraw/zinc/18/97/18/522189718.db2.gz LMFUQXSPJHYUJE-UHFFFAOYSA-N 0 1 291.416 3.706 20 0 CHADMN CCc1nc(C)c(CN[C@@H](c2cccnc2)C2CCC2)o1 ZINC000291820411 522209010 /nfs/dbraw/zinc/20/90/10/522209010.db2.gz DJPRIPACWANGIA-QGZVFWFLSA-N 0 1 285.391 3.571 20 0 CHADMN CCc1nc(C)c(CN[C@H]2C[C@@H](C)c3ccccc32)o1 ZINC000291931907 522210487 /nfs/dbraw/zinc/21/04/87/522210487.db2.gz OXPDBANNPYKWEH-ABAIWWIYSA-N 0 1 270.376 3.884 20 0 CHADMN CC[C@@H](C)[C@@H](C)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000128329195 522298718 /nfs/dbraw/zinc/29/87/18/522298718.db2.gz CHQIMZVXBALPCF-IOASZLSFSA-N 0 1 289.398 3.673 20 0 CHADMN COC(=O)c1occc1CN(C1CC1)C1CCC(C)CC1 ZINC000339221201 522409005 /nfs/dbraw/zinc/40/90/05/522409005.db2.gz AHELFAMWIINYQU-UHFFFAOYSA-N 0 1 291.391 3.609 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2ccc(F)c(C)c2)n[nH]1 ZINC000277452575 522440603 /nfs/dbraw/zinc/44/06/03/522440603.db2.gz PMRVOIBTFHKWHZ-PWSUYJOCSA-N 0 1 290.386 3.617 20 0 CHADMN COc1cc(Cl)c(CNCc2cccs2)cc1OC ZINC000066148049 522523004 /nfs/dbraw/zinc/52/30/04/522523004.db2.gz YAFAHFWYRQXVPH-UHFFFAOYSA-N 0 1 297.807 3.709 20 0 CHADMN CC[C@@H](CN[C@H](C)c1cc(C)on1)Oc1cccc(C)c1 ZINC000290791337 522550811 /nfs/dbraw/zinc/55/08/11/522550811.db2.gz UQFXWLNOLRSLEL-CABCVRRESA-N 0 1 288.391 3.800 20 0 CHADMN CC[C@H](NCc1cnc(C)nc1)c1ccc(Cl)cc1 ZINC000339033820 522664216 /nfs/dbraw/zinc/66/42/16/522664216.db2.gz LNVBWKMFPWOGQW-HNNXBMFYSA-N 0 1 275.783 3.679 20 0 CHADMN CC[C@H](NCc1noc(-c2ccccc2C)n1)C(C)C ZINC000276805885 522674844 /nfs/dbraw/zinc/67/48/44/522674844.db2.gz WPUQMUVKQYXGPT-AWEZNQCLSA-N 0 1 273.380 3.569 20 0 CHADMN CC[C@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1cccc(F)c1 ZINC000275916591 522701572 /nfs/dbraw/zinc/70/15/72/522701572.db2.gz VJCYRZKTOPQEDA-FZMZJTMJSA-N 0 1 290.386 3.869 20 0 CHADMN CC[C@H](N[C@@H](C)c1nnc2ccccn21)c1ccccc1 ZINC000036969131 522703553 /nfs/dbraw/zinc/70/35/53/522703553.db2.gz MITVVBROHFVOEG-ZFWWWQNUSA-N 0 1 280.375 3.531 20 0 CHADMN CC[C@H](N[C@H](C)c1ccnn1C)c1ccc(Cl)s1 ZINC000278886179 522743049 /nfs/dbraw/zinc/74/30/49/522743049.db2.gz YEFKYFUYGSBVCZ-ZJUUUORDSA-N 0 1 283.828 3.937 20 0 CHADMN COC[C@H](NCc1cnccc1C)c1ccc(Cl)cc1 ZINC000278884618 522753491 /nfs/dbraw/zinc/75/34/91/522753491.db2.gz PQCUZCSXCQGDEG-INIZCTEOSA-N 0 1 290.794 3.521 20 0 CHADMN CCc1nnc([C@@H](C)N2CCCC3(CCCCC3)C2)o1 ZINC000111323720 522785981 /nfs/dbraw/zinc/78/59/81/522785981.db2.gz QZZMZJPWGWTOTP-CYBMUJFWSA-N 0 1 277.412 3.739 20 0 CHADMN CC[C@@H](NCc1cn2cc(C)ccc2n1)c1ccsc1 ZINC000297801326 522889296 /nfs/dbraw/zinc/88/92/96/522889296.db2.gz QJAJOZQZVCNMKY-OAHLLOKOSA-N 0 1 285.416 3.945 20 0 CHADMN CN(CCOCC1CC1)Cc1cscc1C(F)(F)F ZINC000356129591 522892081 /nfs/dbraw/zinc/89/20/81/522892081.db2.gz RKCWOHGUWMBERB-UHFFFAOYSA-N 0 1 293.354 3.625 20 0 CHADMN CCc1noc([C@@H](C)N2CCCC3(CCCCC3)C2)n1 ZINC000111323299 522903628 /nfs/dbraw/zinc/90/36/28/522903628.db2.gz PGSQBBXDWDWGBV-CYBMUJFWSA-N 0 1 277.412 3.739 20 0 CHADMN CCc1nocc1CN(C)[C@H](C)c1cccc(C)c1 ZINC000293532185 522934316 /nfs/dbraw/zinc/93/43/16/522934316.db2.gz XEGINGOBVPGJIM-CYBMUJFWSA-N 0 1 258.365 3.738 20 0 CHADMN CC[C@H](c1ccccc1)N(CC)Cc1n[nH]cc1C ZINC000290436967 522943157 /nfs/dbraw/zinc/94/31/57/522943157.db2.gz NNZHYGGEHMIYLX-MRXNPFEDSA-N 0 1 257.381 3.691 20 0 CHADMN COCc1ccc(CN2CC[C@H](C(F)(F)F)C2(C)C)o1 ZINC000276187915 522976200 /nfs/dbraw/zinc/97/62/00/522976200.db2.gz LXSBUBRIAYOUAL-LBPRGKRZSA-N 0 1 291.313 3.589 20 0 CHADMN COCc1ccc(CN2CC[C@@H](C(F)(F)F)C2(C)C)o1 ZINC000276187909 522976888 /nfs/dbraw/zinc/97/68/88/522976888.db2.gz LXSBUBRIAYOUAL-GFCCVEGCSA-N 0 1 291.313 3.589 20 0 CHADMN CC[C@H]1CCC[C@@H](NC(=O)c2cccc3nc(C)[nH]c32)C1 ZINC000338573750 523118645 /nfs/dbraw/zinc/11/86/45/523118645.db2.gz RUYUVASSPDHTRD-QWHCGFSZSA-N 0 1 285.391 3.570 20 0 CHADMN CN(Cc1ccc(Cl)nc1Cl)C1CCCC1 ZINC000234302296 523233364 /nfs/dbraw/zinc/23/33/64/523233364.db2.gz AFDLWMVWGFVQMF-UHFFFAOYSA-N 0 1 259.180 3.763 20 0 CHADMN CCn1cc([C@@H](C)N[C@H](C)c2cc(C)oc2C)cn1 ZINC000044730085 523460189 /nfs/dbraw/zinc/46/01/89/523460189.db2.gz ABJSRLOSOYXPNH-VXGBXAGGSA-N 0 1 261.369 3.525 20 0 CHADMN CCn1cc([C@H](C)NCc2cccc(C(F)F)c2)cn1 ZINC000275676049 523475048 /nfs/dbraw/zinc/47/50/48/523475048.db2.gz HOIJHLGLNVVNBI-NSHDSACASA-N 0 1 279.334 3.691 20 0 CHADMN CCn1cc([C@H](C)N[C@@H](c2ncccc2C)C(C)C)cn1 ZINC000120569914 523475361 /nfs/dbraw/zinc/47/53/61/523475361.db2.gz WKBMAORZGXMZMA-GOEBONIOSA-N 0 1 286.423 3.654 20 0 CHADMN CC[C@@H]1C[C@@]1(NCc1cnc(C)nc1)c1cccc(C)c1 ZINC000337303197 523549891 /nfs/dbraw/zinc/54/98/91/523549891.db2.gz QIPDJGCSNWQSAG-AEFFLSMTSA-N 0 1 281.403 3.508 20 0 CHADMN CCn1cnnc1CN[C@H](c1ccccc1C)C1CCCC1 ZINC000292289497 523594805 /nfs/dbraw/zinc/59/48/05/523594805.db2.gz VEQGGRRZGBQZKH-SFHVURJKSA-N 0 1 298.434 3.628 20 0 CHADMN CCn1nc(C)c(CNCc2coc3ccccc23)c1C ZINC000265177474 523643735 /nfs/dbraw/zinc/64/37/35/523643735.db2.gz VWBSWKZWBQOTJC-UHFFFAOYSA-N 0 1 283.375 3.556 20 0 CHADMN Nc1ccc2c(c1)CCC[C@H]2NCc1cccc(F)c1F ZINC000334857435 534738796 /nfs/dbraw/zinc/73/87/96/534738796.db2.gz VBXOWRSSQHSZPL-MRXNPFEDSA-N 0 1 288.341 3.714 20 0 CHADMN CO[C@H](C)[C@@H](C)NCc1csc(Cl)c1Cl ZINC000308899757 523891710 /nfs/dbraw/zinc/89/17/10/523891710.db2.gz BBAVTKUUAIMDKW-RNFRBKRXSA-N 0 1 268.209 3.568 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2n[nH]c([C@H](C)CC)n2)cc1 ZINC000277454745 523945140 /nfs/dbraw/zinc/94/51/40/523945140.db2.gz PRFZSPZXBLMKFG-OLZOCXBDSA-N 0 1 286.423 3.731 20 0 CHADMN CCc1ccc([C@@H]2CCN(Cc3ncc(C)o3)C2)cc1 ZINC000293293384 524038172 /nfs/dbraw/zinc/03/81/72/524038172.db2.gz KIPBYNQFLVXHNH-MRXNPFEDSA-N 0 1 270.376 3.535 20 0 CHADMN CCc1ccc([C@H]2CCCN(Cc3cocn3)C2)cc1 ZINC000289662083 524053676 /nfs/dbraw/zinc/05/36/76/524053676.db2.gz NHHSHOFXPVBPIG-INIZCTEOSA-N 0 1 270.376 3.617 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc(F)ccc2OC)cc1 ZINC000037089708 524074226 /nfs/dbraw/zinc/07/42/26/524074226.db2.gz VHKQWWWTIPCQQG-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN Cc1ccc2oc(-c3nc(C4(N)CCCC4)no3)cc2c1 ZINC000042894344 524087788 /nfs/dbraw/zinc/08/77/88/524087788.db2.gz LHXLWEWCMUIAJN-UHFFFAOYSA-N 0 1 283.331 3.519 20 0 CHADMN COc1ccc(Cl)cc1CN(C)Cc1cccc(N)c1 ZINC000036867504 524205801 /nfs/dbraw/zinc/20/58/01/524205801.db2.gz FKEDWRNTIJQCPB-UHFFFAOYSA-N 0 1 290.794 3.563 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356091537 524233717 /nfs/dbraw/zinc/23/37/17/524233717.db2.gz SLNBJCGTIFUGSU-SNVBAGLBSA-N 0 1 273.298 3.643 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1CC[C@@H](C)[C@H]1C ZINC000248343966 524233614 /nfs/dbraw/zinc/23/36/14/524233614.db2.gz KYUFROJIOVFBTD-UKRRQHHQSA-N 0 1 288.435 3.787 20 0 CHADMN COc1ccc(F)c(CNC(C)(C)c2ccc(C)nc2)c1 ZINC000339347886 524273369 /nfs/dbraw/zinc/27/33/69/524273369.db2.gz IGXYLVCEZWPYLO-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1nc2cc(F)ccc2o1 ZINC000151021227 524363646 /nfs/dbraw/zinc/36/36/46/524363646.db2.gz CSWHUTAVEYXAPR-PHIMTYICSA-N 0 1 262.328 3.730 20 0 CHADMN C[C@@H](CC(C)(C)C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000337263758 524405853 /nfs/dbraw/zinc/40/58/53/524405853.db2.gz ZHCQAKCULFNRCQ-JSGCOSHPSA-N 0 1 296.480 3.539 20 0 CHADMN Cc1ccc(CN(Cc2cccc(O)c2)CC2CC2)nc1 ZINC000151581278 524420143 /nfs/dbraw/zinc/42/01/43/524420143.db2.gz AZRUTHUCOSZIDB-UHFFFAOYSA-N 0 1 282.387 3.508 20 0 CHADMN COc1ccccc1C[C@H](C)N(C)Cc1nc(C)cs1 ZINC000088602166 524508515 /nfs/dbraw/zinc/50/85/15/524508515.db2.gz NQTZCWCEBOSKNU-ZDUSSCGKSA-N 0 1 290.432 3.523 20 0 CHADMN Cc1ccc(CNCc2cccnc2)c(OC(C)(C)C)c1 ZINC000084958736 524585059 /nfs/dbraw/zinc/58/50/59/524585059.db2.gz FRFCZJDGSSAERM-UHFFFAOYSA-N 0 1 284.403 3.857 20 0 CHADMN Cc1ccc(CNCc2ccccc2OC(F)(F)F)cn1 ZINC000057591133 524586705 /nfs/dbraw/zinc/58/67/05/524586705.db2.gz ZIFPXGJVTHEBQG-UHFFFAOYSA-N 0 1 296.292 3.578 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccncc2F)cc1C ZINC000337950343 524594198 /nfs/dbraw/zinc/59/41/98/524594198.db2.gz FDGPZPFQOIOSIF-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1Cl ZINC000277635325 524599674 /nfs/dbraw/zinc/59/96/74/524599674.db2.gz CQWSVYDQOYBYJL-CQSZACIVSA-N 0 1 275.783 3.539 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1csc(C)c1 ZINC000292802491 524726566 /nfs/dbraw/zinc/72/65/66/524726566.db2.gz WLQPZACIVWJBSS-GFCCVEGCSA-N 0 1 261.390 3.916 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2)C(C)(C)C)ncn1 ZINC000292368989 524781501 /nfs/dbraw/zinc/78/15/01/524781501.db2.gz GKDOROZCTBCALI-MRXNPFEDSA-N 0 1 269.392 3.662 20 0 CHADMN C[C@@H](COCC(F)(F)F)N[C@@H](C)c1cc(F)ccc1F ZINC000264879968 524818038 /nfs/dbraw/zinc/81/80/38/524818038.db2.gz QVENRVJKWFOKGL-IUCAKERBSA-N 0 1 297.267 3.583 20 0 CHADMN Cc1csc(CNC/C=C/c2ccc(F)c(F)c2)n1 ZINC000352816830 534816311 /nfs/dbraw/zinc/81/63/11/534816311.db2.gz MHHNTPLFMWOLPF-NSCUHMNNSA-N 0 1 280.343 3.533 20 0 CHADMN COc1cncc(CN[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000289767011 524921781 /nfs/dbraw/zinc/92/17/81/524921781.db2.gz IHUSAQXYXPLQBV-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN Cc1cc(F)cc(N[C@H](c2cccs2)c2nnc[nH]2)c1 ZINC000340336834 524948489 /nfs/dbraw/zinc/94/84/89/524948489.db2.gz DVIDEBWGKQXYAL-CYBMUJFWSA-N 0 1 288.351 3.515 20 0 CHADMN Cc1cccc2ncc(CNCc3coc4ccccc34)n21 ZINC000339407966 524993193 /nfs/dbraw/zinc/99/31/93/524993193.db2.gz SMDBYSNUIJZQNE-UHFFFAOYSA-N 0 1 291.354 3.679 20 0 CHADMN C[C@H]1OCCN(Cc2csc3ccccc23)[C@@H]1C ZINC000156068620 525027057 /nfs/dbraw/zinc/02/70/57/525027057.db2.gz ZKBVITMLMDVTOV-VXGBXAGGSA-N 0 1 261.390 3.511 20 0 CHADMN C[C@@H](N)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000041162285 525031823 /nfs/dbraw/zinc/03/18/23/525031823.db2.gz GBHJYKNOLYOYHE-SSDOTTSWSA-N 0 1 272.295 3.849 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263563210 525355140 /nfs/dbraw/zinc/35/51/40/525355140.db2.gz DEHXIQXTLIQTEH-UHOFOFEASA-N 0 1 273.376 3.538 20 0 CHADMN COc1ccc([C@H](NCc2ccc(C)o2)C2CC2)cc1 ZINC000049933442 525372268 /nfs/dbraw/zinc/37/22/68/525372268.db2.gz HZGZUOFPEYUTLA-QGZVFWFLSA-N 0 1 271.360 3.838 20 0 CHADMN Cc1ccccc1[C@@H](NCc1nccn1C)C1CCCC1 ZINC000292013790 525374415 /nfs/dbraw/zinc/37/44/15/525374415.db2.gz BTGFNRADFKPKBJ-SFHVURJKSA-N 0 1 283.419 3.750 20 0 CHADMN Cc1ccc(OC2CCN([C@H](C)c3cccnc3)CC2)cc1 ZINC000265310194 525377098 /nfs/dbraw/zinc/37/70/98/525377098.db2.gz FAUXKPXPSCEGLA-MRXNPFEDSA-N 0 1 296.414 3.994 20 0 CHADMN C[C@H](NC[C@H]1CC=CCC1)c1nc(Cc2ccccc2)no1 ZINC000237548269 525410032 /nfs/dbraw/zinc/41/00/32/525410032.db2.gz NSGJNAQQCCITGI-HOCLYGCPSA-N 0 1 297.402 3.667 20 0 CHADMN COc1ccc([C@H]2CCCN2Cc2c(C)noc2C)cc1 ZINC000248255540 525415880 /nfs/dbraw/zinc/41/58/80/525415880.db2.gz SFLQZAVFDGFYOK-QGZVFWFLSA-N 0 1 286.375 3.637 20 0 CHADMN Cc1cc([C@@H](C)NCC2(c3ccc(F)cc3F)CC2)no1 ZINC000340517554 525463073 /nfs/dbraw/zinc/46/30/73/525463073.db2.gz CTGQCNQAQLCWFH-LLVKDONJSA-N 0 1 292.329 3.644 20 0 CHADMN C[C@H](NCc1cccs1)c1nc2c(s1)CCCC2 ZINC000130208840 525468770 /nfs/dbraw/zinc/46/87/70/525468770.db2.gz JBAIHHYLHSNLDK-JTQLQIEISA-N 0 1 278.446 3.934 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc([C@H](C)O)cc2)c(C)o1 ZINC000278222849 525468955 /nfs/dbraw/zinc/46/89/55/525468955.db2.gz JFNOIBRVHRKFHC-OLZOCXBDSA-N 0 1 273.376 3.801 20 0 CHADMN Cc1cc([C@@H](C)NCc2ncccc2C)c(C)s1 ZINC000071339552 525469343 /nfs/dbraw/zinc/46/93/43/525469343.db2.gz AKEOZYWEHWQEHL-GFCCVEGCSA-N 0 1 260.406 3.919 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)CC(C)(C)C(F)(F)F ZINC000280547827 525470061 /nfs/dbraw/zinc/47/00/61/525470061.db2.gz SXZWDBBCJRNXGC-UHFFFAOYSA-N 0 1 299.243 3.573 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](CCO)c2ccccc2)c(C)o1 ZINC000278897115 525473540 /nfs/dbraw/zinc/47/35/40/525473540.db2.gz ZDARTGAVVWXEAO-CXAGYDPISA-N 0 1 273.376 3.671 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)CCOCc2ccccc2)no1 ZINC000290572977 525475239 /nfs/dbraw/zinc/47/52/39/525475239.db2.gz FJKWKEKAOMBDNB-UKRRQHHQSA-N 0 1 288.391 3.629 20 0 CHADMN C[C@H](NCc1cnn(CC(F)F)c1)c1cccc(Cl)c1 ZINC000293072873 525481034 /nfs/dbraw/zinc/48/10/34/525481034.db2.gz UJDPARYYIJBJBU-JTQLQIEISA-N 0 1 299.752 3.652 20 0 CHADMN CSCCN(C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000151141273 525496053 /nfs/dbraw/zinc/49/60/53/525496053.db2.gz ITGMWMPWULHVEZ-UHFFFAOYSA-N 0 1 296.823 3.790 20 0 CHADMN Cc1cc([C@H](C)NCC(=O)Nc2ccccc2)c(C)s1 ZINC000049507399 525515877 /nfs/dbraw/zinc/51/58/77/525515877.db2.gz QVMFJGRJSRQLDU-LBPRGKRZSA-N 0 1 288.416 3.654 20 0 CHADMN C[C@@H](NCc1ccccn1)c1cccc(OC(F)F)c1 ZINC000020091658 525540680 /nfs/dbraw/zinc/54/06/80/525540680.db2.gz WVNFZSHXQQIPAD-LLVKDONJSA-N 0 1 278.302 3.534 20 0 CHADMN C[C@@H](NCc1cnc(C(C)(C)C)s1)c1cccc(O)c1 ZINC000062838956 525548338 /nfs/dbraw/zinc/54/83/38/525548338.db2.gz NIZXYXQWGQOTLD-LLVKDONJSA-N 0 1 290.432 3.997 20 0 CHADMN C[C@@H](NCc1cnc(C(C)(C)C)s1)c1cccnc1 ZINC000059180837 525552215 /nfs/dbraw/zinc/55/22/15/525552215.db2.gz FKEYNDZFWFCVJJ-LLVKDONJSA-N 0 1 275.421 3.686 20 0 CHADMN C[C@H](N[C@@H]1CCCOc2cc(F)ccc21)c1cncs1 ZINC000272012730 525555909 /nfs/dbraw/zinc/55/59/09/525555909.db2.gz MFCBFSLZACSSBR-GXFFZTMASA-N 0 1 292.379 3.847 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1cncc(F)c1 ZINC000296900642 525585462 /nfs/dbraw/zinc/58/54/62/525585462.db2.gz VUISOBLYKLGYBD-BFQNTYOBSA-N 0 1 286.350 3.784 20 0 CHADMN Cc1nnc([C@@H](C)NCCc2ccc(C(C)C)cc2)s1 ZINC000347472138 534870841 /nfs/dbraw/zinc/87/08/41/534870841.db2.gz RMRQGUOBPIZCML-GFCCVEGCSA-N 0 1 289.448 3.863 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C(C)C)C2CCCC2)c1 ZINC000264798008 525630828 /nfs/dbraw/zinc/63/08/28/525630828.db2.gz UJNIKGPKQYEMID-UHFFFAOYSA-N 0 1 285.391 3.665 20 0 CHADMN C[C@H](N[C@H]1COCc2ccccc21)c1cccs1 ZINC000225981095 525632723 /nfs/dbraw/zinc/63/27/23/525632723.db2.gz DTHSPOCXAYNRBW-FZMZJTMJSA-N 0 1 259.374 3.670 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c(O)cccc1F ZINC000128782705 525670961 /nfs/dbraw/zinc/67/09/61/525670961.db2.gz CGEPCYSFSKDPNH-OCCSQVGLSA-N 0 1 299.345 3.550 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(N3CCCC3=O)cc2)o1 ZINC000120455878 525734716 /nfs/dbraw/zinc/73/47/16/525734716.db2.gz MZXZMZPHUNWYOZ-CQSZACIVSA-N 0 1 298.386 3.566 20 0 CHADMN C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000042771564 525734924 /nfs/dbraw/zinc/73/49/24/525734924.db2.gz IEIGWEHYZAVSKX-LLVKDONJSA-N 0 1 287.384 3.566 20 0 CHADMN Cc1ccc(-c2ccc(C)c(NC(=O)[C@@H]3CCCN3C)c2)o1 ZINC000279806326 525750552 /nfs/dbraw/zinc/75/05/52/525750552.db2.gz NESMWWLTVLBANU-INIZCTEOSA-N 0 1 298.386 3.596 20 0 CHADMN Cc1ccoc1CNCc1cc(Br)cs1 ZINC000126684083 525805009 /nfs/dbraw/zinc/80/50/09/525805009.db2.gz GUCDVKSCTKMJBN-UHFFFAOYSA-N 0 1 286.194 3.702 20 0 CHADMN Cc1ccoc1CNCc1ccc(OCC(F)(F)F)cc1 ZINC000266193862 525805216 /nfs/dbraw/zinc/80/52/16/525805216.db2.gz JKRXUUDWSDAMPZ-UHFFFAOYSA-N 0 1 299.292 3.819 20 0 CHADMN Cc1ccoc1CN[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000266208239 525808233 /nfs/dbraw/zinc/80/82/33/525808233.db2.gz NGLDFMAYENKUIG-WBVHZDCISA-N 0 1 271.360 3.598 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc(Cn3cccn3)c2)o1 ZINC000129491221 525928058 /nfs/dbraw/zinc/92/80/58/525928058.db2.gz NQYUKGCOTCOVNR-HNNXBMFYSA-N 0 1 295.386 3.684 20 0 CHADMN Cc1ccc(/C=C/c2nc([C@H](N)CC(C)C)no2)cc1 ZINC000339393865 525960462 /nfs/dbraw/zinc/96/04/62/525960462.db2.gz MJMQMSDZGURDNQ-MYSGNRETSA-N 0 1 271.364 3.594 20 0 CHADMN Cc1ccc([C@H](O)CN2CC(C)(C)[C@@H]2c2cccnc2)cc1 ZINC000292016590 525973414 /nfs/dbraw/zinc/97/34/14/525973414.db2.gz ZKAOWIBENFBXPY-MSOLQXFVSA-N 0 1 296.414 3.507 20 0 CHADMN Cc1cnc(CN(C)CC(C)(C)c2ccc(C)cc2)o1 ZINC000075861572 526005708 /nfs/dbraw/zinc/00/57/08/526005708.db2.gz BRSUYYXDZRGNDW-UHFFFAOYSA-N 0 1 272.392 3.701 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccnc(N)c2)o1 ZINC000299213696 526032982 /nfs/dbraw/zinc/03/29/82/526032982.db2.gz HSUBZUPZYZOVAO-SWLSCSKDSA-N 0 1 285.391 3.538 20 0 CHADMN Cc1c[nH]nc1CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000289399362 526033908 /nfs/dbraw/zinc/03/39/08/526033908.db2.gz ABIULDYPBNPDOP-JMPLFQLZSA-N 0 1 289.810 3.858 20 0 CHADMN Cc1c[nH]nc1CN[C@H]1CCC(C)(C)c2ccccc21 ZINC000289425609 526034953 /nfs/dbraw/zinc/03/49/53/526034953.db2.gz DCXYEVXXMFWSMW-HNNXBMFYSA-N 0 1 269.392 3.620 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](c1ccccc1)C(C)(C)C ZINC000289899257 526035842 /nfs/dbraw/zinc/03/58/42/526035842.db2.gz NIPDKEQFQIIDJC-HNNXBMFYSA-N 0 1 257.381 3.595 20 0 CHADMN Cc1cn[nH]c1CNc1cccc(OCCC(C)C)c1 ZINC000290075259 526037430 /nfs/dbraw/zinc/03/74/30/526037430.db2.gz YNECHBKDTFZLRQ-UHFFFAOYSA-N 0 1 273.380 3.755 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccc(CO)o1 ZINC000130832421 526044792 /nfs/dbraw/zinc/04/47/92/526044792.db2.gz SDLLLYFOUQHBRB-NSHDSACASA-N 0 1 279.767 3.618 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@@H](n2cccn2)C1 ZINC000291906905 526054151 /nfs/dbraw/zinc/05/41/51/526054151.db2.gz RNBYMUMNKXQADB-DGCLKSJQSA-N 0 1 293.773 3.684 20 0 CHADMN Cc1cc(-c2nc([C@@H](N)CC(C)C)no2)nc2ccccc12 ZINC000339388719 526054562 /nfs/dbraw/zinc/05/45/62/526054562.db2.gz IZPYIADQXKEAON-ZDUSSCGKSA-N 0 1 296.374 3.639 20 0 CHADMN C[C@H](c1ccc(OC(F)F)cc1)N(C)Cc1ccccn1 ZINC000275782330 526066265 /nfs/dbraw/zinc/06/62/65/526066265.db2.gz ZVMWVVZCXGZLAI-GFCCVEGCSA-N 0 1 292.329 3.876 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)N(C)Cc1ccncc1 ZINC000130258625 526071907 /nfs/dbraw/zinc/07/19/07/526071907.db2.gz FXSQZUQHMWWJCQ-LBPRGKRZSA-N 0 1 260.768 3.928 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1ccnc(Cl)c1 ZINC000299669812 526085703 /nfs/dbraw/zinc/08/57/03/526085703.db2.gz YCMUQAPOIMRIDW-LBPRGKRZSA-N 0 1 260.768 3.928 20 0 CHADMN C[C@@H](c1ccccn1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000374561064 526114059 /nfs/dbraw/zinc/11/40/59/526114059.db2.gz ZYWHDGGLHWDCCI-YOEHRIQHSA-N 0 1 270.351 3.713 20 0 CHADMN C[C@H](c1ccncc1)N(C)Cc1cnc2ccccc2c1 ZINC000337175642 526161604 /nfs/dbraw/zinc/16/16/04/526161604.db2.gz IFTQZJOCJLZSHR-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN CSc1ccccc1CSc1nc(C2CC2)n[nH]1 ZINC000357748627 526162755 /nfs/dbraw/zinc/16/27/55/526162755.db2.gz YMFWOGVVJINDTI-UHFFFAOYSA-N 0 1 277.418 3.696 20 0 CHADMN CSc1ccccc1CSc1n[nH]c(C2CC2)n1 ZINC000357748627 526162763 /nfs/dbraw/zinc/16/27/63/526162763.db2.gz YMFWOGVVJINDTI-UHFFFAOYSA-N 0 1 277.418 3.696 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C3CC=CC3)[nH]c2c1 ZINC000077740007 526256200 /nfs/dbraw/zinc/25/62/00/526256200.db2.gz SWBSKSBDPHLYRX-INIZCTEOSA-N 0 1 295.386 3.501 20 0 CHADMN Cc1cnn([C@H]2CCN([C@@H](C)c3ccc(Cl)cc3)C2)c1 ZINC000290084768 526269358 /nfs/dbraw/zinc/26/93/58/526269358.db2.gz ZFZQKEYBYZXSBU-BBRMVZONSA-N 0 1 289.810 3.853 20 0 CHADMN Fc1cc(F)cc(CN2CCC(c3ccccn3)CC2)c1 ZINC000367461353 526307279 /nfs/dbraw/zinc/30/72/79/526307279.db2.gz VXUNEXIBJCPFGN-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN Fc1ccc2c(c1)nccc2NC[C@H]1CCCSC1 ZINC000340937311 526375550 /nfs/dbraw/zinc/37/55/50/526375550.db2.gz KIXYMMDLHZKOBM-LLVKDONJSA-N 0 1 276.380 3.929 20 0 CHADMN Fc1cccc(CN2CCC[C@H](c3ccncc3)C2)c1F ZINC000289401746 526385031 /nfs/dbraw/zinc/38/50/31/526385031.db2.gz SCDWQNZCDAUFMY-AWEZNQCLSA-N 0 1 288.341 3.739 20 0 CHADMN Fc1cccc(CN2CCC[C@@H](c3ccncc3)C2)c1F ZINC000289401748 526385040 /nfs/dbraw/zinc/38/50/40/526385040.db2.gz SCDWQNZCDAUFMY-CQSZACIVSA-N 0 1 288.341 3.739 20 0 CHADMN Fc1cccc(CNCc2cc(F)c(F)c(F)c2)c1 ZINC000062706128 526388292 /nfs/dbraw/zinc/38/82/92/526388292.db2.gz UNHPENIVTGZTTA-UHFFFAOYSA-N 0 1 269.241 3.533 20 0 CHADMN Fc1cccc([C@H](NC[C@H]2CCC=CO2)c2ccccn2)c1 ZINC000188570303 526399166 /nfs/dbraw/zinc/39/91/66/526399166.db2.gz QRUKBYDKIFXZDS-AEFFLSMTSA-N 0 1 298.361 3.592 20 0 CHADMN c1c[nH]c([C@@H](NC2CCC3(CC3)CC2)c2ccccc2)n1 ZINC000278835118 526407699 /nfs/dbraw/zinc/40/76/99/526407699.db2.gz ULPOXEUJLSRUJA-INIZCTEOSA-N 0 1 281.403 3.812 20 0 CHADMN c1cc(-c2noc(CN3CCCCCCC3)n2)cs1 ZINC000263762658 526415851 /nfs/dbraw/zinc/41/58/51/526415851.db2.gz KORQJISPNSCQGO-UHFFFAOYSA-N 0 1 277.393 3.564 20 0 CHADMN Cc1csc([C@H](C)NCc2ccc(C)s2)n1 ZINC000069168489 526436216 /nfs/dbraw/zinc/43/62/16/526436216.db2.gz DNQJUPVQSRABNS-JTQLQIEISA-N 0 1 252.408 3.672 20 0 CHADMN c1ccc(C2CC2)c(CSCCCN2CCOCC2)c1 ZINC000341540636 526462252 /nfs/dbraw/zinc/46/22/52/526462252.db2.gz DEUSMMAYPLILTG-UHFFFAOYSA-N 0 1 291.460 3.520 20 0 CHADMN c1ccc2c(c1)CC[C@H]2NCc1ccc2c(n1)CCCC2 ZINC000278170422 526506262 /nfs/dbraw/zinc/50/62/62/526506262.db2.gz AYKAPWWJAIYNEP-LJQANCHMSA-N 0 1 278.399 3.738 20 0 CHADMN c1ccc2sc([C@H]3CCCN3C[C@@H]3CCCO3)nc2c1 ZINC000072802770 526521292 /nfs/dbraw/zinc/52/12/92/526521292.db2.gz AGVRSXNSXIWOMY-GXTWGEPZSA-N 0 1 288.416 3.612 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3ccoc3C(C)C)ccc12 ZINC000280452744 526539113 /nfs/dbraw/zinc/53/91/13/526539113.db2.gz LJTHQVCBNBDKAP-UHFFFAOYSA-N 0 1 283.331 3.840 20 0 CHADMN c1coc([C@@H](N[C@@H]2CCCSC2)c2ccccc2)c1 ZINC000061577613 526569942 /nfs/dbraw/zinc/56/99/42/526569942.db2.gz JKGLJIMSYLIPTH-ZBFHGGJFSA-N 0 1 273.401 3.854 20 0 CHADMN O=C(c1cc(C2CC2)[nH]n1)N1CCCCC[C@@H]1c1ccco1 ZINC000076651773 526601912 /nfs/dbraw/zinc/60/19/12/526601912.db2.gz PZNOKCKAQWJXLF-OAHLLOKOSA-N 0 1 299.374 3.638 20 0 CHADMN Cc1nc(-c2ccccc2F)sc1[C@H](C)NCCF ZINC000280958165 526608228 /nfs/dbraw/zinc/60/82/28/526608228.db2.gz HMLIYYBEINRDBW-VIFPVBQESA-N 0 1 282.359 3.878 20 0 CHADMN Cc1noc(CN2CCC[C@@H]2c2cccc3ccccc32)n1 ZINC000066468815 526612493 /nfs/dbraw/zinc/61/24/93/526612493.db2.gz OMLSDGZXXVBURK-QGZVFWFLSA-N 0 1 293.370 3.868 20 0 CHADMN Cc1nocc1CN[C@H](CC(C)C)c1cccs1 ZINC000339204819 526696627 /nfs/dbraw/zinc/69/66/27/526696627.db2.gz XSTOCICXRQZEJB-CYBMUJFWSA-N 0 1 264.394 3.922 20 0 CHADMN Cc1nocc1CN[C@H](C)c1ccc(Br)cc1 ZINC000293189608 526696658 /nfs/dbraw/zinc/69/66/58/526696658.db2.gz HVCIUAMWROWLFI-SECBINFHSA-N 0 1 295.180 3.596 20 0 CHADMN Cc1nc(C)c(CN(Cc2ccco2)C(C)C)s1 ZINC000266021437 526716707 /nfs/dbraw/zinc/71/67/07/526716707.db2.gz WMLPSHBRENHFES-UHFFFAOYSA-N 0 1 264.394 3.764 20 0 CHADMN Cc1occc1CNCc1ccc(OC(F)F)c(F)c1 ZINC000339073984 526827760 /nfs/dbraw/zinc/82/77/60/526827760.db2.gz HKGVBWCNFXFIIK-UHFFFAOYSA-N 0 1 285.265 3.618 20 0 CHADMN O=C(c1cccs1)C1CCN([C@@H]2C=CCCC2)CC1 ZINC000365833873 526835086 /nfs/dbraw/zinc/83/50/86/526835086.db2.gz QWWCTQMCDRWZGD-CQSZACIVSA-N 0 1 275.417 3.752 20 0 CHADMN Cc1nc(CN2CCC3(CCCCC3)CC2)cs1 ZINC000340847016 526854006 /nfs/dbraw/zinc/85/40/06/526854006.db2.gz JXNHDRYRLLNHLO-UHFFFAOYSA-N 0 1 264.438 3.998 20 0 CHADMN Cc1nc(CNCC2(O)CCC(C(C)(C)C)CC2)cs1 ZINC000111388720 526887315 /nfs/dbraw/zinc/88/73/15/526887315.db2.gz RRDOKCHFPLNXEI-UHFFFAOYSA-N 0 1 296.480 3.509 20 0 CHADMN Clc1csc(CNCc2ccc3c(n2)CCCC3)c1 ZINC000278704593 527001774 /nfs/dbraw/zinc/00/17/74/527001774.db2.gz JUSIVHDQZQHWHL-UHFFFAOYSA-N 0 1 292.835 3.965 20 0 CHADMN Cc1nc([C@@H](C)Sc2nc3ccc(Cl)cc3[nH]2)no1 ZINC000278683622 527037419 /nfs/dbraw/zinc/03/74/19/527037419.db2.gz YWZZJALXLVGSAV-ZCFIWIBFSA-N 0 1 294.767 3.761 20 0 CHADMN Cc1nc([C@H](C)NCCOc2ccc(Cl)cc2)cs1 ZINC000269458499 527064988 /nfs/dbraw/zinc/06/49/88/527064988.db2.gz XODCMEOXNVBIDK-JTQLQIEISA-N 0 1 296.823 3.835 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCCC3(CCCC3)C2)[nH]1 ZINC000338606235 527150865 /nfs/dbraw/zinc/15/08/65/527150865.db2.gz JJPTWQNVLSYHGZ-UHFFFAOYSA-N 0 1 297.402 3.668 20 0 CHADMN CC(=O)[C@H](Sc1nnc(C(C)(C)C)[nH]1)c1ccccc1 ZINC000353717024 527151212 /nfs/dbraw/zinc/15/12/12/527151212.db2.gz XYWXQLUFYUYHEM-LBPRGKRZSA-N 0 1 289.404 3.525 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3ncccc3C(C)C)c2[nH]1 ZINC000338552909 527157366 /nfs/dbraw/zinc/15/73/66/527157366.db2.gz SPTXAQUJZRDLTK-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN Cn1cc(CNCc2cccc(Cl)c2)c(C(C)(C)C)n1 ZINC000093945879 527219429 /nfs/dbraw/zinc/21/94/29/527219429.db2.gz HVKSGEYPQNGURE-UHFFFAOYSA-N 0 1 291.826 3.661 20 0 CHADMN Cc1ncc(CN(Cc2cccs2)C(C)C)s1 ZINC000299153222 527254301 /nfs/dbraw/zinc/25/43/01/527254301.db2.gz GOCWFFKNEFJNBH-UHFFFAOYSA-N 0 1 266.435 3.924 20 0 CHADMN Cc1ncc(CNCc2ccc(C(C)(F)F)cc2)s1 ZINC000292912772 527272480 /nfs/dbraw/zinc/27/24/80/527272480.db2.gz HOXUKACNIRUYSY-UHFFFAOYSA-N 0 1 282.359 3.853 20 0 CHADMN Cc1nccc(NCCc2ccsc2)c1Cl ZINC000309351466 527350945 /nfs/dbraw/zinc/35/09/45/527350945.db2.gz MORQNFSLKDOFKD-UHFFFAOYSA-N 0 1 252.770 3.760 20 0 CHADMN Cn1ccnc1[C@H](N[C@@H]1CCCc2sccc21)C1CC1 ZINC000129191238 527465393 /nfs/dbraw/zinc/46/53/93/527465393.db2.gz OMJFIALNRTYUER-UKRRQHHQSA-N 0 1 287.432 3.600 20 0 CHADMN C(c1n[nH]c(C2CC2)n1)N1CCCC2(C1)CCCCCC2 ZINC000355078189 527496340 /nfs/dbraw/zinc/49/63/40/527496340.db2.gz ZTMKMTKRYPLQBV-UHFFFAOYSA-N 0 1 288.439 3.619 20 0 CHADMN C/C(=C/c1cccc(Cl)c1)c1nc(C2(N)CCC2)no1 ZINC000334854918 527500241 /nfs/dbraw/zinc/50/02/41/527500241.db2.gz WJCJLOBBGBIBOC-NTMALXAHSA-N 0 1 289.766 3.621 20 0 CHADMN Cc1ncsc1CNc1ccc(CN(C)C)c(Cl)c1 ZINC000280196648 527514046 /nfs/dbraw/zinc/51/40/46/527514046.db2.gz HSVCGYFRKKSVEJ-UHFFFAOYSA-N 0 1 295.839 3.779 20 0 CHADMN CC1(Cc2noc(-c3cc(-c4ccco4)n[nH]3)n2)CCCC1 ZINC000347465302 528008232 /nfs/dbraw/zinc/00/82/32/528008232.db2.gz HYAPTJOYUKVWQA-UHFFFAOYSA-N 0 1 298.346 3.843 20 0 CHADMN CCCN(Cc1cncn1CC)[C@@H]1CCCc2cccnc21 ZINC000417987179 528150790 /nfs/dbraw/zinc/15/07/90/528150790.db2.gz GFPIAJQQVLUNIQ-QGZVFWFLSA-N 0 1 298.434 3.588 20 0 CHADMN CCCCCN(Cc1nnc(C2CC2)[nH]1)[C@H](C)CCC ZINC000347390279 528182201 /nfs/dbraw/zinc/18/22/01/528182201.db2.gz HIXFBHDULKUHTK-CYBMUJFWSA-N 0 1 278.444 3.863 20 0 CHADMN CCOc1cc(CN2CCC(C(F)F)CC2)ccc1OC ZINC000353670806 528264128 /nfs/dbraw/zinc/26/41/28/528264128.db2.gz BKOOGJDACDESAB-UHFFFAOYSA-N 0 1 299.361 3.571 20 0 CHADMN CC(C)c1nc(CN2C[C@@H](C)CC2(C)C)cs1 ZINC000353880092 528281643 /nfs/dbraw/zinc/28/16/43/528281643.db2.gz JBGGNJIKEZYLLX-NSHDSACASA-N 0 1 252.427 3.887 20 0 CHADMN CC(C)n1cc(CN2CCC[C@@H]2CCC2CCCC2)nn1 ZINC000347908645 528562658 /nfs/dbraw/zinc/56/26/58/528562658.db2.gz GQWUNVUKFCIBLI-QGZVFWFLSA-N 0 1 290.455 3.794 20 0 CHADMN CCC(C)(C)[C@@H]1CCCN1Cc1ccn(C(F)F)n1 ZINC000347708089 528598439 /nfs/dbraw/zinc/59/84/39/528598439.db2.gz SCOZJYZSPIQHBV-LBPRGKRZSA-N 0 1 271.355 3.679 20 0 CHADMN CCOc1ccc2nc(SCC[C@@H]3CCCO3)[nH]c2c1 ZINC000344593449 528625663 /nfs/dbraw/zinc/62/56/63/528625663.db2.gz CCZXRDHFXIQFQP-NSHDSACASA-N 0 1 292.404 3.623 20 0 CHADMN CCOc1ccc2nc(SC[C@@H]3CC[C@H](C)O3)[nH]c2c1 ZINC000352244628 528625697 /nfs/dbraw/zinc/62/56/97/528625697.db2.gz VIQNILKYMLLFCE-JQWIXIFHSA-N 0 1 292.404 3.621 20 0 CHADMN CCCc1nc(CN2CC[C@@H](C)[C@H](C)C2)cs1 ZINC000347575673 528748832 /nfs/dbraw/zinc/74/88/32/528748832.db2.gz XRKLXBPWNHWFLM-VXGBXAGGSA-N 0 1 252.427 3.574 20 0 CHADMN CC1(C)CC[C@@H](c2nc(-c3ccn4cncc4c3)no2)C1 ZINC000333353646 529030215 /nfs/dbraw/zinc/03/02/15/529030215.db2.gz WFQCQTRRSGOMMI-GFCCVEGCSA-N 0 1 282.347 3.678 20 0 CHADMN CC1(C)CCc2ccccc2[C@@H](NCc2cnccn2)C1 ZINC000334732847 529054889 /nfs/dbraw/zinc/05/48/89/529054889.db2.gz WMTPVESARYMNPM-KRWDZBQOSA-N 0 1 281.403 3.670 20 0 CHADMN CCC1(CC)CN(C(=O)c2ncccc2O)c2ccccc21 ZINC000332016590 529080550 /nfs/dbraw/zinc/08/05/50/529080550.db2.gz QBIJCZABGLAZGP-UHFFFAOYSA-N 0 1 296.370 3.505 20 0 CHADMN CC(C)[C@H](NCc1ccc(Cl)cn1)c1cccnc1 ZINC000344284920 529123172 /nfs/dbraw/zinc/12/31/72/529123172.db2.gz DBZOOVSTUKRGFE-HNNXBMFYSA-N 0 1 275.783 3.617 20 0 CHADMN CC1(C)CN(Cc2cccc3c[nH]nc32)[C@H]1c1ccncc1 ZINC000353713518 529124727 /nfs/dbraw/zinc/12/47/27/529124727.db2.gz JSXUHHOMSLRFHR-KRWDZBQOSA-N 0 1 292.386 3.541 20 0 CHADMN CC[C@H](c1ccccc1OC)N(C)Cc1cnccc1C ZINC000347542589 529184895 /nfs/dbraw/zinc/18/48/95/529184895.db2.gz PHXNLHAGBUJJNI-QGZVFWFLSA-N 0 1 284.403 3.982 20 0 CHADMN CC[C@@H](N[C@H](CCOC)c1ccccc1)c1nccs1 ZINC000347911088 529206416 /nfs/dbraw/zinc/20/64/16/529206416.db2.gz KNTAHHDXTNSBIV-HUUCEWRRSA-N 0 1 290.432 3.962 20 0 CHADMN CC[C@@H](c1ccccc1OC)N(C)Cc1cnccc1C ZINC000347542588 529258936 /nfs/dbraw/zinc/25/89/36/529258936.db2.gz PHXNLHAGBUJJNI-KRWDZBQOSA-N 0 1 284.403 3.982 20 0 CHADMN CC[C@@H]1CCCN1Cc1c(Cl)cccc1C(=O)OC ZINC000352013524 529301233 /nfs/dbraw/zinc/30/12/33/529301233.db2.gz JJYKQNXAEQBQTA-LLVKDONJSA-N 0 1 281.783 3.501 20 0 CHADMN CN(Cc1ccccc1)Cc1ccc(C(F)(F)F)cn1 ZINC000341837360 536481308 /nfs/dbraw/zinc/48/13/08/536481308.db2.gz UGENBSPKCANZBV-UHFFFAOYSA-N 0 1 280.293 3.732 20 0 CHADMN CC(C)Oc1ccccc1CNCc1cccs1 ZINC000034991919 567888997 /nfs/dbraw/zinc/88/89/97/567888997.db2.gz ARMIHBLFYUTZCY-UHFFFAOYSA-N 0 1 261.390 3.825 20 0 CHADMN COc1ccccc1CNCc1cccc(OC(C)C)c1 ZINC000032132553 567955990 /nfs/dbraw/zinc/95/59/90/567955990.db2.gz NDYSEDQGTYSJCR-UHFFFAOYSA-N 0 1 285.387 3.772 20 0 CHADMN Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc1 ZINC000738594418 599715762 /nfs/dbraw/zinc/71/57/62/599715762.db2.gz LYSIBIPJMLGBKY-MRXNPFEDSA-N 0 1 297.398 3.718 20 0 CHADMN Cc1ccccc1[C@@H]1CC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000652406879 599716391 /nfs/dbraw/zinc/71/63/91/599716391.db2.gz GIURSRMCWWKJHV-ZIAGYGMSSA-N 0 1 299.370 3.837 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CC)Cc1cc(C(=O)[O-])co1 ZINC000736927699 599849592 /nfs/dbraw/zinc/84/95/92/599849592.db2.gz DMTYFOAJVXWLAR-MRXNPFEDSA-N 0 1 287.359 3.951 20 0 CHADMN CCCC[N@@H+](C)Cc1c2ccccc2sc1C(=O)[O-] ZINC000037337330 599935572 /nfs/dbraw/zinc/93/55/72/599935572.db2.gz HRQBSESZPUMDOG-UHFFFAOYSA-N 0 1 277.389 3.831 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(F)cc1C(=O)[O-] ZINC000383605554 600082786 /nfs/dbraw/zinc/08/27/86/600082786.db2.gz CMHRVHHTUZWPSJ-GFCCVEGCSA-N 0 1 287.334 3.717 20 0 CHADMN Cc1cc(C)c(C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)c(C)c1 ZINC000317055812 600083131 /nfs/dbraw/zinc/08/31/31/600083131.db2.gz UOBMVDOQFGXFNA-UHFFFAOYSA-N 0 1 295.382 3.826 20 0 CHADMN Cc1cc(C[N@@H+]2Cc3ccc(C(=O)[O-])cc3C2)c(C)s1 ZINC000659791159 600085967 /nfs/dbraw/zinc/08/59/67/600085967.db2.gz SXUONUCEFDIQCT-UHFFFAOYSA-N 0 1 287.384 3.579 20 0 CHADMN Cc1cc(C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)c(C)s1 ZINC000659791159 600085970 /nfs/dbraw/zinc/08/59/70/600085970.db2.gz SXUONUCEFDIQCT-UHFFFAOYSA-N 0 1 287.384 3.579 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736929058 600086512 /nfs/dbraw/zinc/08/65/12/600086512.db2.gz NOSQMWPXMHRXAA-QGZVFWFLSA-N 0 1 281.355 3.852 20 0 CHADMN C[C@H](C[N@@H+](C)[C@@H](C)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000652409092 600143354 /nfs/dbraw/zinc/14/33/54/600143354.db2.gz GQTMSVCTGMTCJA-OLZOCXBDSA-N 0 1 287.359 3.774 20 0 CHADMN Cc1oc(C[N@H+](C)C[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000568890953 600144752 /nfs/dbraw/zinc/14/47/52/600144752.db2.gz OJWKRLBOHNMQCH-GFCCVEGCSA-N 0 1 287.359 3.522 20 0 CHADMN CCCC[C@H](Nc1ccc([NH+]2CCCC2)cc1C)C(=O)[O-] ZINC000736982722 600155099 /nfs/dbraw/zinc/15/50/99/600155099.db2.gz SVNWLECAAGAPPE-INIZCTEOSA-N 0 1 290.407 3.651 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])oc2C)o1 ZINC000571930758 600218139 /nfs/dbraw/zinc/21/81/39/600218139.db2.gz QRWYRKDSAZAXAP-ZDUSSCGKSA-N 0 1 289.331 3.525 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@@H+](CCCC(=O)[O-])C1CC1 ZINC000116391426 600228373 /nfs/dbraw/zinc/22/83/73/600228373.db2.gz VMEXBBAAJBVEEY-LLVKDONJSA-N 0 1 281.783 3.730 20 0 CHADMN Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2occc2C(=O)[O-])C1 ZINC000565106264 600432514 /nfs/dbraw/zinc/43/25/14/600432514.db2.gz OXZWYXXLDLLMPG-KBPBESRZSA-N 0 1 299.370 3.664 20 0 CHADMN CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1cc(C)c(C(=O)[O-])o1 ZINC000736880584 600432643 /nfs/dbraw/zinc/43/26/43/600432643.db2.gz SBAWTRXQIYXARR-BXUZGUMPSA-N 0 1 279.380 3.687 20 0 CHADMN O=C([O-])C[C@H]1CCCC[N@H+]1CCc1ccc2ccccc2c1 ZINC000650505516 600441614 /nfs/dbraw/zinc/44/16/14/600441614.db2.gz GSEWRJHZPPJKAC-GOSISDBHSA-N 0 1 297.398 3.712 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)oc1C(=O)[O-] ZINC000579016569 600449011 /nfs/dbraw/zinc/44/90/11/600449011.db2.gz VYXBLPXKGUQAFL-QGZVFWFLSA-N 0 1 289.375 3.609 20 0 CHADMN CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000736389794 600540935 /nfs/dbraw/zinc/54/09/35/600540935.db2.gz DQJRXJGPGLKUHR-INIZCTEOSA-N 0 1 287.359 3.807 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000128038262 600574246 /nfs/dbraw/zinc/57/42/46/600574246.db2.gz UZMVTRVXYNWOEV-OAHLLOKOSA-N 0 1 261.365 3.539 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000578995148 600835565 /nfs/dbraw/zinc/83/55/65/600835565.db2.gz BDFDHMGXGZKGAU-XHBSWPGZSA-N 0 1 291.366 3.677 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2occc2C(=O)[O-])[C@@H](c2ccco2)C1 ZINC000570689321 600861680 /nfs/dbraw/zinc/86/16/80/600861680.db2.gz LLEHAFLTVMIVMV-WCQYABFASA-N 0 1 289.331 3.544 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000828296395 600862595 /nfs/dbraw/zinc/86/25/95/600862595.db2.gz WQZXBWRIJSLALC-CZUORRHYSA-N 0 1 299.370 3.951 20 0 CHADMN C[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccccc2F)Cc2ccccc21 ZINC000828410789 600982188 /nfs/dbraw/zinc/98/21/88/600982188.db2.gz CUIYCHYSVCBIEP-PXAZEXFGSA-N 0 1 299.345 3.571 20 0 CHADMN C[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000828410403 601042872 /nfs/dbraw/zinc/04/28/72/601042872.db2.gz BEUYBEYPDNJLIO-JLZZUVOBSA-N 0 1 299.345 3.644 20 0 CHADMN C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000828410403 601042874 /nfs/dbraw/zinc/04/28/74/601042874.db2.gz BEUYBEYPDNJLIO-JLZZUVOBSA-N 0 1 299.345 3.644 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000828457709 601045191 /nfs/dbraw/zinc/04/51/91/601045191.db2.gz WWVRGLBCVXOITR-GUYCJALGSA-N 0 1 281.355 3.578 20 0 CHADMN CC[N@@H+](C/C=C(/C)C(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000829692783 601159199 /nfs/dbraw/zinc/15/91/99/601159199.db2.gz PGXYHDJJNHANJO-SUIFULHWSA-N 0 1 287.359 3.847 20 0 CHADMN CCC(CC)[N@H+](Cc1occc1C(=O)[O-])CC(C)C ZINC000093309319 601181216 /nfs/dbraw/zinc/18/12/16/601181216.db2.gz PMPUKARRFDBWAS-UHFFFAOYSA-N 0 1 267.369 3.624 20 0 CHADMN Cc1cc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)oc1C(=O)[O-] ZINC000568067099 601329772 /nfs/dbraw/zinc/32/97/72/601329772.db2.gz LWFUEIGQEYSBNN-XJKSGUPXSA-N 0 1 299.370 3.664 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000577957730 601411059 /nfs/dbraw/zinc/41/10/59/601411059.db2.gz FWEPGJULLGKIKS-LBPRGKRZSA-N 0 1 287.359 3.733 20 0 CHADMN C[C@@H]1CCC[N@H+]1Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000037911350 601428566 /nfs/dbraw/zinc/42/85/66/601428566.db2.gz DKCZGVFYPDHTQO-SECBINFHSA-N 0 1 293.363 3.723 20 0 CHADMN CCC1(CC)CC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000094805596 601543342 /nfs/dbraw/zinc/54/33/42/601543342.db2.gz APVHXAYGWBIILA-LLVKDONJSA-N 0 1 265.353 3.551 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1CCCCC1 ZINC000011804253 601584813 /nfs/dbraw/zinc/58/48/13/601584813.db2.gz HRIQCQQPAMIBHJ-UHFFFAOYSA-N 0 1 261.365 3.539 20 0 CHADMN CC1(C)CCC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000232867072 601642724 /nfs/dbraw/zinc/64/27/24/601642724.db2.gz JSCODIKDCVGXGC-UHFFFAOYSA-N 0 1 279.355 3.536 20 0 CHADMN CCC(CC)[N@@H+](Cc1ccsc1C(=O)[O-])C1CC1 ZINC000514729574 601808541 /nfs/dbraw/zinc/80/85/41/601808541.db2.gz IPWPRGIAOLTFOW-UHFFFAOYSA-N 0 1 267.394 3.599 20 0 CHADMN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccsc2C(=O)[O-])C1 ZINC000593740033 601836270 /nfs/dbraw/zinc/83/62/70/601836270.db2.gz MXTHKPMHTLVJPL-RYUDHWBXSA-N 0 1 299.461 3.552 20 0 CHADMN CC(C)[N@@H+](Cc1cccs1)Cc1ccc(C(=O)[O-])s1 ZINC000109601884 601944250 /nfs/dbraw/zinc/94/42/50/601944250.db2.gz KKBPFZUEPDSCRQ-UHFFFAOYSA-N 0 1 295.429 3.918 20 0 CHADMN C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000828527382 601952239 /nfs/dbraw/zinc/95/22/39/601952239.db2.gz JQYIKWQUBWWDMS-NSHDSACASA-N 0 1 287.384 3.566 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)s1 ZINC000578660778 601954651 /nfs/dbraw/zinc/95/46/51/601954651.db2.gz UXQDCBFIFMGLPM-MRXNPFEDSA-N 0 1 291.416 3.769 20 0 CHADMN CCC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000570410217 601967257 /nfs/dbraw/zinc/96/72/57/601967257.db2.gz FQZJYJPZQZXLBS-GFCCVEGCSA-N 0 1 279.355 3.536 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccccc1 ZINC000385160098 602072617 /nfs/dbraw/zinc/07/26/17/602072617.db2.gz BCXWYZLYSMJKOB-ZDUSSCGKSA-N 0 1 299.370 3.779 20 0 CHADMN Cc1ccc(C)c([C@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])co2)c1 ZINC000832925719 602331057 /nfs/dbraw/zinc/33/10/57/602331057.db2.gz BCDLBNNVIQRBCP-QGZVFWFLSA-N 0 1 299.370 3.932 20 0 CHADMN C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC000062753767 604749705 /nfs/dbraw/zinc/74/97/05/604749705.db2.gz JUCRFLBJHQWTBR-SNVBAGLBSA-N 0 1 293.363 3.778 20 0 CHADMN CC(C)(C)C1=CC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000382529864 604770966 /nfs/dbraw/zinc/77/09/66/604770966.db2.gz GCTYTMAOEPMQQA-UHFFFAOYSA-N 0 1 291.366 3.702 20 0 CHADMN C[C@@H](c1ccccc1F)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833550420 604847582 /nfs/dbraw/zinc/84/75/82/604847582.db2.gz VNCVTNDEUCGHQZ-LBPRGKRZSA-N 0 1 299.345 3.643 20 0 CHADMN C[C@H](c1cccc(F)c1)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833549226 604849688 /nfs/dbraw/zinc/84/96/88/604849688.db2.gz VPZVEKIJSOOYNE-GFCCVEGCSA-N 0 1 299.345 3.643 20 0 CHADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000135033377 604941463 /nfs/dbraw/zinc/94/14/63/604941463.db2.gz SNCHXHRQAUBYST-ZDUSSCGKSA-N 0 1 295.810 3.663 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)[C@H]2CCCC[C@H]12 ZINC000833629017 605222747 /nfs/dbraw/zinc/22/27/47/605222747.db2.gz DESUAHHIXMFTBY-KFNAQCHYSA-N 0 1 291.366 3.534 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)[C@H]2CCCC[C@@H]12 ZINC000833629016 605222814 /nfs/dbraw/zinc/22/28/14/605222814.db2.gz DESUAHHIXMFTBY-FFSVYQOJSA-N 0 1 291.366 3.534 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1F ZINC000383584766 605828883 /nfs/dbraw/zinc/82/88/83/605828883.db2.gz NPDQHPFREJVOIR-LBPRGKRZSA-N 0 1 287.334 3.717 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CCCCc1ccccc1 ZINC000122130493 949237938 /nfs/dbraw/zinc/23/79/38/949237938.db2.gz IBKJCCQVBGLAJR-KRWDZBQOSA-N 0 1 289.419 3.729 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000124453871 949255046 /nfs/dbraw/zinc/25/50/46/949255046.db2.gz GYRNSHJLSYWBBE-LLVKDONJSA-N 0 1 299.773 3.556 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000162551237 949393443 /nfs/dbraw/zinc/39/34/43/949393443.db2.gz OWDTVLVUZVAYNP-HNNXBMFYSA-N 0 1 299.773 3.556 20 0 CHADMN C[C@H](CCc1ccccc1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226454535 949587196 /nfs/dbraw/zinc/58/71/96/949587196.db2.gz CFIFOPTVROPXNE-WBVHZDCISA-N 0 1 289.419 3.585 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@H](C)CCc2ccccc2)C1 ZINC000251230014 950013249 /nfs/dbraw/zinc/01/32/49/950013249.db2.gz KHVNPKWQOJXPRD-QAPCUYQASA-N 0 1 289.419 3.585 20 0 CHADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCC1CCCCCC1 ZINC000263522080 950501830 /nfs/dbraw/zinc/50/18/30/950501830.db2.gz RKBNLBMYDLTLQA-UKRRQHHQSA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000322955397 951039313 /nfs/dbraw/zinc/03/93/13/951039313.db2.gz SMQROJFJHJYYHK-MDGVGCGJSA-N 0 1 287.403 3.667 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001589279621 953483020 /nfs/dbraw/zinc/48/30/20/953483020.db2.gz PBUYPPGFHURAFV-GMTAPVOTSA-N 0 1 299.773 3.583 20 0 CHADMN C/C=C\C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000629375481 953823367 /nfs/dbraw/zinc/82/33/67/953823367.db2.gz GJVOHXSWXCQMDF-SFAKSCPVSA-N 0 1 273.376 3.563 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2)CC[C@H]1C(=O)[O-] ZINC000629497463 953829121 /nfs/dbraw/zinc/82/91/21/953829121.db2.gz CZEKJLXUPHWJNR-XJKSGUPXSA-N 0 1 289.419 3.527 20 0 CHADMN CCCc1ccc(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000643056154 953902374 /nfs/dbraw/zinc/90/23/74/953902374.db2.gz VWVBOIWVYPSOIV-MRXNPFEDSA-N 0 1 289.419 3.716 20 0 CHADMN Cn1nccc1[C@@H]1CCCCN1Cc1ccc2occc2c1 ZINC000348283320 1125462019 /nfs/dbraw/zinc/46/20/19/1125462019.db2.gz BSTPCGSWNGDKOJ-KRWDZBQOSA-N 0 1 295.386 3.894 20 0 CHADMN O=C([O-])[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662206094 954379916 /nfs/dbraw/zinc/37/99/16/954379916.db2.gz PKIJUQRDDIOMQP-OIISXLGYSA-N 0 1 287.403 3.509 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)CSc1ccccc1C ZINC001589441034 954716380 /nfs/dbraw/zinc/71/63/80/954716380.db2.gz PIUNKTICNFWLOR-OCCSQVGLSA-N 0 1 295.448 3.518 20 0 CHADMN C[C@@H](C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1)CC(C)(C)C ZINC000709274434 955009028 /nfs/dbraw/zinc/00/90/28/955009028.db2.gz BPYKNGITYHJHCF-KGLIPLIRSA-N 0 1 269.429 3.636 20 0 CHADMN CC1(C)CC[C@@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000614827890 1125463753 /nfs/dbraw/zinc/46/37/53/1125463753.db2.gz BZMYANOLBIWZNJ-SSDOTTSWSA-N 0 1 271.719 3.559 20 0 CHADMN CCC[N@@H+](CC[C@H](C)CCC=C(C)C)CC(=O)[O-] ZINC000859809352 955912446 /nfs/dbraw/zinc/91/24/46/955912446.db2.gz RLSKDRNFOONONV-CQSZACIVSA-N 0 1 255.402 3.556 20 0 CHADMN O=C([O-])c1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)c1 ZINC000883519706 956243919 /nfs/dbraw/zinc/24/39/19/956243919.db2.gz ZLLINDGLPYZUTK-IAGOWNOFSA-N 0 1 299.345 3.500 20 0 CHADMN O=C([O-])c1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000883519705 956245049 /nfs/dbraw/zinc/24/50/49/956245049.db2.gz ZLLINDGLPYZUTK-DLBZAZTESA-N 0 1 299.345 3.500 20 0 CHADMN C[N@@H+](CC1CCC(C)(C)CC1)C1(C(=O)[O-])CCCC1 ZINC000388386004 972168288 /nfs/dbraw/zinc/16/82/88/972168288.db2.gz UAETVRWOQYILGB-UHFFFAOYSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1ccc([C@@H](C)C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000901552264 956337720 /nfs/dbraw/zinc/33/77/20/956337720.db2.gz MUFBVIJGJQULQK-JKSUJKDBSA-N 0 1 289.419 3.675 20 0 CHADMN Cc1ncccc1CN1CCSC[C@H]1c1ccccc1 ZINC000128392826 1125466210 /nfs/dbraw/zinc/46/62/10/1125466210.db2.gz YWSDUTUXNAJAEC-KRWDZBQOSA-N 0 1 284.428 3.680 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903696977 956887860 /nfs/dbraw/zinc/88/78/60/956887860.db2.gz FNJVCMVJJVVONC-UONOGXRCSA-N 0 1 267.413 3.532 20 0 CHADMN C[N@@H+](Cc1cccc(Cl)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000032145061 957173606 /nfs/dbraw/zinc/17/36/06/957173606.db2.gz PAUYHACWZXSPJC-HNNXBMFYSA-N 0 1 289.762 3.598 20 0 CHADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1ccccc1Cl ZINC000037918886 957337126 /nfs/dbraw/zinc/33/71/26/957337126.db2.gz SQGSYAOEBXWTCR-UHFFFAOYSA-N 0 1 289.762 3.670 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1ccccc1Cl ZINC000037918886 957337135 /nfs/dbraw/zinc/33/71/35/957337135.db2.gz SQGSYAOEBXWTCR-UHFFFAOYSA-N 0 1 289.762 3.670 20 0 CHADMN O=C([O-])[C@H]([NH2+]Cc1cccs1)c1ccc2ccccc2c1 ZINC000037966567 957341106 /nfs/dbraw/zinc/34/11/06/957341106.db2.gz RZCFQCBLOWDFRU-MRXNPFEDSA-N 0 1 297.379 3.817 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)s1)C1(C(=O)[O-])CCCCC1 ZINC000042488463 957419951 /nfs/dbraw/zinc/41/99/51/957419951.db2.gz GGOZSMRWZJRSKS-UHFFFAOYSA-N 0 1 287.812 3.621 20 0 CHADMN C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccccc1C(=O)[O-] ZINC000042771625 957427510 /nfs/dbraw/zinc/42/75/10/957427510.db2.gz GBLFGNTTXIUFRP-LLVKDONJSA-N 0 1 287.384 3.566 20 0 CHADMN O=C([O-])c1ccccc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000049024474 957472567 /nfs/dbraw/zinc/47/25/67/957472567.db2.gz RKVSHRQAYJKDSJ-UHFFFAOYSA-N 0 1 287.384 3.611 20 0 CHADMN CCCCCC[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000071737635 957731156 /nfs/dbraw/zinc/73/11/56/957731156.db2.gz FXHDJVQKXRRZNV-UHFFFAOYSA-N 0 1 263.381 3.544 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cc(Cl)cc(Cl)c1 ZINC000086748126 957981534 /nfs/dbraw/zinc/98/15/34/957981534.db2.gz HXUDRDFVHQSRMQ-UHFFFAOYSA-N 0 1 290.190 3.679 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000091780699 958152504 /nfs/dbraw/zinc/15/25/04/958152504.db2.gz UBWIIXLBEUZTCR-FRRDWIJNSA-N 0 1 277.364 3.551 20 0 CHADMN CC(C)C[N@@H+](Cc1ccsc1C(=O)[O-])C1CCCC1 ZINC000094849654 958314825 /nfs/dbraw/zinc/31/48/25/958314825.db2.gz VFMIJZDXJSXPGD-UHFFFAOYSA-N 0 1 281.421 3.847 20 0 CHADMN CC(C)CC[N@@H+](CCCCC(=O)[O-])C1CCCC1 ZINC000094849759 958316322 /nfs/dbraw/zinc/31/63/22/958316322.db2.gz PTLMNQCUSNGASC-UHFFFAOYSA-N 0 1 255.402 3.532 20 0 CHADMN CC[N@@H+](Cc1ccc(CC(C)C)cc1)C(C)(C)C(=O)[O-] ZINC000094904677 958319886 /nfs/dbraw/zinc/31/98/86/958319886.db2.gz NMEQFEHQJBZKGR-UHFFFAOYSA-N 0 1 277.408 3.570 20 0 CHADMN C[C@]1(C(=O)[O-])CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000127983351 958628221 /nfs/dbraw/zinc/62/82/21/958628221.db2.gz LRRQIZOECWWHMQ-ZBFHGGJFSA-N 0 1 293.794 3.514 20 0 CHADMN Cc1ccc2ccccc2c1C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001594382837 958648011 /nfs/dbraw/zinc/64/80/11/958648011.db2.gz JPUPTJLPGVTQFH-XJKSGUPXSA-N 0 1 297.398 3.691 20 0 CHADMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cc(C(=O)[O-])sc1C ZINC000136275895 958897170 /nfs/dbraw/zinc/89/71/70/958897170.db2.gz NJTBESJBBYZBIK-BXKDBHETSA-N 0 1 267.394 3.518 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC(n2ccnc2)CC1 ZINC000109796869 1125470403 /nfs/dbraw/zinc/47/04/03/1125470403.db2.gz GLTDWZLCMQHMPH-GFCCVEGCSA-N 0 1 291.345 3.559 20 0 CHADMN CCC[N@@H+](CCCCC(=O)[O-])CC1CCCCC1 ZINC000181549068 959438310 /nfs/dbraw/zinc/43/83/10/959438310.db2.gz GJEUKFWIDJDMRL-UHFFFAOYSA-N 0 1 255.402 3.534 20 0 CHADMN Cc1c(C)c(C)c(C[N@H+]([C@@H](C)C(=O)[O-])C2CC2)c(C)c1C ZINC001594259674 959684944 /nfs/dbraw/zinc/68/49/44/959684944.db2.gz TXEQPXAWRATCKN-HNNXBMFYSA-N 0 1 289.419 3.666 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000227407775 959948277 /nfs/dbraw/zinc/94/82/77/959948277.db2.gz BEXYEBHNUOGPQW-ZWNOBZJWSA-N 0 1 281.421 3.765 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](C)CCc1ccccc1C(=O)[O-] ZINC000228516846 960020727 /nfs/dbraw/zinc/02/07/27/960020727.db2.gz ZRMLAYLHYANHHZ-AWEZNQCLSA-N 0 1 283.371 3.620 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000233297534 960317087 /nfs/dbraw/zinc/31/70/87/960317087.db2.gz ONIVLPSXUWBKGV-CYBMUJFWSA-N 0 1 279.355 3.679 20 0 CHADMN Cc1cc2c(c(C)c1)[C@H](N[C@@H](CO)c1ccsc1)CC2 ZINC000655757180 1125473487 /nfs/dbraw/zinc/47/34/87/1125473487.db2.gz PEHCOOSSLCFZOY-CVEARBPZSA-N 0 1 287.428 3.675 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc3occc3c2)C1 ZINC001573823054 960980526 /nfs/dbraw/zinc/98/05/26/960980526.db2.gz XMZBNUULUIVZHB-QGZVFWFLSA-N 0 1 287.359 3.510 20 0 CHADMN C[C@@H]1CCCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001326553319 961110368 /nfs/dbraw/zinc/11/03/68/961110368.db2.gz RBGLLSZSLZBXKP-BXUZGUMPSA-N 0 1 281.783 3.588 20 0 CHADMN CCOc1ccc(C2=CCN(Cc3cnoc3C)CC2)cc1 ZINC000129650934 1125477070 /nfs/dbraw/zinc/47/70/70/1125477070.db2.gz ULKPLSUQBFKSRZ-UHFFFAOYSA-N 0 1 298.386 3.671 20 0 CHADMN Cc1oncc1CN1CC=C(c2cccc(C)c2)CC1 ZINC000129663807 1125477084 /nfs/dbraw/zinc/47/70/84/1125477084.db2.gz TVSPIOPIIQXMLG-UHFFFAOYSA-N 0 1 268.360 3.581 20 0 CHADMN Cc1ccc(-c2noc(CN3CC[C@@H](C)[C@@H](C)C3)n2)cc1 ZINC000536591191 1125479007 /nfs/dbraw/zinc/47/90/07/1125479007.db2.gz AYRHKXPSJJSTFM-KGLIPLIRSA-N 0 1 285.391 3.523 20 0 CHADMN C[C@@]([NH2+]Cc1cc2ccccc2o1)(C(=O)[O-])c1ccccc1 ZINC001334011469 961742346 /nfs/dbraw/zinc/74/23/46/961742346.db2.gz WUPNVPRPGZLCML-SFHVURJKSA-N 0 1 295.338 3.522 20 0 CHADMN C[C@@H](c1ccncc1)N(C)Cc1cccc(OC(F)F)c1 ZINC000111206473 1125481233 /nfs/dbraw/zinc/48/12/33/1125481233.db2.gz VWLBTWINHPOOEB-LBPRGKRZSA-N 0 1 292.329 3.876 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(Cl)c(F)c1 ZINC000222521285 1117965721 /nfs/dbraw/zinc/96/57/21/1117965721.db2.gz SBHQLEQTGYXJLC-BDAKNGLRSA-N 0 1 267.735 3.614 20 0 CHADMN C[C@H](C1CC1)N(Cc1csc(-c2ccccn2)n1)C1CC1 ZINC000111683854 1125483288 /nfs/dbraw/zinc/48/32/88/1125483288.db2.gz MBZMWSDEJKPDGA-GFCCVEGCSA-N 0 1 299.443 3.968 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1csc(N(C)C2CC2)n1 ZINC000130709440 1125484741 /nfs/dbraw/zinc/48/47/41/1125484741.db2.gz IEOGUGIUBYLFTD-TXEJJXNPSA-N 0 1 279.453 3.505 20 0 CHADMN CCn1cc(CNC(C)(C)c2ccc(Cl)cc2)cn1 ZINC000112098472 1125484834 /nfs/dbraw/zinc/48/48/34/1125484834.db2.gz UETVVOIIEANHCO-UHFFFAOYSA-N 0 1 277.799 3.581 20 0 CHADMN CC(C)(C)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000307792479 963224592 /nfs/dbraw/zinc/22/45/92/963224592.db2.gz AVOWFJZYSYISJY-GFCCVEGCSA-N 0 1 293.382 3.782 20 0 CHADMN CC(C)(C)C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000307815362 963228819 /nfs/dbraw/zinc/22/88/19/963228819.db2.gz LJYVOQCQLGXXQQ-LBPRGKRZSA-N 0 1 293.382 3.782 20 0 CHADMN CCCC[C@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])sc1C ZINC000310985830 963450568 /nfs/dbraw/zinc/45/05/68/963450568.db2.gz FSIGXBDCCPVPDW-JTQLQIEISA-N 0 1 269.410 3.765 20 0 CHADMN C[C@@H]1CCC[C@H](C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000312676950 963583155 /nfs/dbraw/zinc/58/31/55/963583155.db2.gz CJERCSMHSNYLAJ-OLZOCXBDSA-N 0 1 273.376 3.527 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000086784072 967575326 /nfs/dbraw/zinc/57/53/26/967575326.db2.gz PYWSRRLOSGQGRZ-MEDUHNTESA-N 0 1 297.345 3.603 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000131701714 967630051 /nfs/dbraw/zinc/63/00/51/967630051.db2.gz YMSBFBMWSYGKEJ-MRXNPFEDSA-N 0 1 297.345 3.701 20 0 CHADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc2ccccc2c1 ZINC000263467980 967895994 /nfs/dbraw/zinc/89/59/94/967895994.db2.gz DBBDQSNOMBNAAB-CXAGYDPISA-N 0 1 283.371 3.525 20 0 CHADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc2ccccc2c1 ZINC000263468001 967896071 /nfs/dbraw/zinc/89/60/71/967896071.db2.gz DBBDQSNOMBNAAB-SUMWQHHRSA-N 0 1 283.371 3.525 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@H](C)CC(C)(C)C)C1 ZINC000709274402 969039159 /nfs/dbraw/zinc/03/91/59/969039159.db2.gz BMKDIHLVEXGDER-CJNGLKHVSA-N 0 1 269.429 3.636 20 0 CHADMN C[C@@H](c1cccc(F)c1)[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000317491070 970364103 /nfs/dbraw/zinc/36/41/03/970364103.db2.gz DYXIDZAKNDCMGA-LBPRGKRZSA-N 0 1 299.345 3.643 20 0 CHADMN C[C@H]1CCCC[C@H]1C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000394863136 972763668 /nfs/dbraw/zinc/76/36/68/972763668.db2.gz RMQGSHGIAWTWBW-BBRMVZONSA-N 0 1 275.392 3.643 20 0 CHADMN CC[C@]1(C)CC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000399359222 973216380 /nfs/dbraw/zinc/21/63/80/973216380.db2.gz FLQRESTWOJYHJS-OAHLLOKOSA-N 0 1 281.783 3.660 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC001606094627 973262955 /nfs/dbraw/zinc/26/29/55/973262955.db2.gz DRKFTTAYBMFPCT-VXYRWZGASA-N 0 1 293.794 3.540 20 0 CHADMN CC[C@H](C)[N@@H+](CC[C@H]1C[C@H](C)C[C@H](C)C1)CC(=O)[O-] ZINC000442796211 974120126 /nfs/dbraw/zinc/12/01/26/974120126.db2.gz VMKMBDDNJVWHMA-LJISPDSOSA-N 0 1 269.429 3.634 20 0 CHADMN O=C([O-])c1occc1C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000519637623 974331813 /nfs/dbraw/zinc/33/18/13/974331813.db2.gz DFXCPMAIUUKMPU-AWEZNQCLSA-N 0 1 277.364 3.523 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2Cc2ccoc2C(=O)[O-])cc1C ZINC000565662498 974585597 /nfs/dbraw/zinc/58/55/97/974585597.db2.gz BWDCYOFGZVNZHA-MRXNPFEDSA-N 0 1 299.370 3.932 20 0 CHADMN CC[C@@](C)(C(=O)[O-])[N@@H+](CCCCOC(C)(C)C)CC1CC1 ZINC000566510870 974616204 /nfs/dbraw/zinc/61/62/04/974616204.db2.gz CWSQTWMIMIBWCW-KRWDZBQOSA-N 0 1 299.455 3.547 20 0 CHADMN C[C@@H]1CC(C)(C)C[N@H+]1[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000566744187 974620956 /nfs/dbraw/zinc/62/09/56/974620956.db2.gz ZPBGJAJYCSXTIV-MFKMUULPSA-N 0 1 281.783 3.586 20 0 CHADMN CC(C)C[C@H](C)C[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000569228487 974687011 /nfs/dbraw/zinc/68/70/11/974687011.db2.gz BLRZFCZLOUEKOB-ZDUSSCGKSA-N 0 1 297.826 3.909 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000570100665 974705262 /nfs/dbraw/zinc/70/52/62/974705262.db2.gz UWMIXAGJUQAFHM-INIZCTEOSA-N 0 1 279.380 3.688 20 0 CHADMN CC[C@]1(C)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000572609218 974750450 /nfs/dbraw/zinc/75/04/50/974750450.db2.gz GKSTWDGZTLWXEV-MRXNPFEDSA-N 0 1 279.355 3.536 20 0 CHADMN CC[C@@]1(C)CC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000572729123 974753293 /nfs/dbraw/zinc/75/32/93/974753293.db2.gz PPEDJLYRXISDJC-ZFWWWQNUSA-N 0 1 281.783 3.588 20 0 CHADMN Cc1oc(C[N@@H+]([C@@H](C)c2ccco2)C2CC2)cc1C(=O)[O-] ZINC000572848472 974755224 /nfs/dbraw/zinc/75/52/24/974755224.db2.gz MELSOXRVZZTXGR-JTQLQIEISA-N 0 1 289.331 3.605 20 0 CHADMN Cc1oc(C[N@H+]([C@@H](C)c2ccco2)C2CC2)cc1C(=O)[O-] ZINC000572848472 974755230 /nfs/dbraw/zinc/75/52/30/974755230.db2.gz MELSOXRVZZTXGR-JTQLQIEISA-N 0 1 289.331 3.605 20 0 CHADMN Cc1c(C)c(C)c(C[N@H+]2CCC[C@@H]2CC(=O)[O-])c(C)c1C ZINC000573008908 974758458 /nfs/dbraw/zinc/75/84/58/974758458.db2.gz GZTAYLDZPDBRQP-MRXNPFEDSA-N 0 1 289.419 3.668 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000574921691 974791135 /nfs/dbraw/zinc/79/11/35/974791135.db2.gz KFPCYRIKEFEKEZ-KGYLQXTDSA-N 0 1 279.405 3.599 20 0 CHADMN CC(C)C[N@H+](CCC(=O)[O-])CCC1C[C@H](C)C[C@@H](C)C1 ZINC000580955531 974902604 /nfs/dbraw/zinc/90/26/04/974902604.db2.gz GFYBSUMKIHSLRU-HUUCEWRRSA-N 0 1 283.456 3.882 20 0 CHADMN C[C@@H]1C[N@@H+](CCCCC(=O)[O-])CCc2ccc(Cl)cc21 ZINC000650504074 975442338 /nfs/dbraw/zinc/44/23/38/975442338.db2.gz RHDGJIDZTVVHQH-GFCCVEGCSA-N 0 1 295.810 3.557 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccc(-c2cccs2)cc1)C(=O)[O-] ZINC000652358861 975516571 /nfs/dbraw/zinc/51/65/71/975516571.db2.gz VGVUPEFJGUFZIK-GFCCVEGCSA-N 0 1 289.400 3.568 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1csc2ccccc12 ZINC000652397408 975520209 /nfs/dbraw/zinc/52/02/09/975520209.db2.gz TZQHMDTUPSSANX-CQSZACIVSA-N 0 1 291.416 3.832 20 0 CHADMN O=C([O-])[C@@H](c1ccccc1)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000652415527 975526361 /nfs/dbraw/zinc/52/63/61/975526361.db2.gz YUGBQYVWWNVBFO-AEFFLSMTSA-N 0 1 285.387 3.635 20 0 CHADMN C[C@H]1CCC[C@H](CC[N@@H+](CC(=O)[O-])C2CCCCC2)C1 ZINC000652481985 975548606 /nfs/dbraw/zinc/54/86/06/975548606.db2.gz HPTZOWRVLKEEMX-LSDHHAIUSA-N 0 1 281.440 3.922 20 0 CHADMN Cc1cccc(Cl)c1C[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000652482127 975550213 /nfs/dbraw/zinc/55/02/13/975550213.db2.gz OGHLNRGDKDTTLN-UHFFFAOYSA-N 0 1 295.810 3.868 20 0 CHADMN Cc1ccc(C[N@@H+](CC(=O)[O-])C2CCCCC2)cc1C ZINC000652482853 975552322 /nfs/dbraw/zinc/55/23/22/975552322.db2.gz XYGXLHRMQQDIMC-UHFFFAOYSA-N 0 1 275.392 3.523 20 0 CHADMN CC(C)(CC[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000656763658 975692630 /nfs/dbraw/zinc/69/26/30/975692630.db2.gz CHUDVQHGFXMJQQ-JYJNAYRXSA-N 0 1 293.451 3.778 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000659790843 975877790 /nfs/dbraw/zinc/87/77/90/975877790.db2.gz QBDZBPFOWKIKKD-ROUUACIJSA-N 0 1 293.366 3.504 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](CCC1CC1)CC1CC1 ZINC000659804039 975894946 /nfs/dbraw/zinc/89/49/46/975894946.db2.gz QZCFJILEEOKASY-UHFFFAOYSA-N 0 1 291.391 3.552 20 0 CHADMN CC(C)c1[nH]c(C[N@@H+](C)C[C@H]2CC=CCC2)cc1C(=O)[O-] ZINC001591910656 976323886 /nfs/dbraw/zinc/32/38/86/976323886.db2.gz LHXWUUGZTSTXJP-ZDUSSCGKSA-N 0 1 290.407 3.624 20 0 CHADMN CC(C)c1[nH]c(C[N@@H+]2CCC[C@H](C(C)C)C2)cc1C(=O)[O-] ZINC001591912518 976349371 /nfs/dbraw/zinc/34/93/71/976349371.db2.gz OLVVRKJIFDJZNC-ZDUSSCGKSA-N 0 1 292.423 3.704 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000708555040 977435683 /nfs/dbraw/zinc/43/56/83/977435683.db2.gz JPNUSBSIMWMNCG-LLVKDONJSA-N 0 1 281.421 3.704 20 0 CHADMN CN(C)Cc1cc(NC[C@@H]2CCSC2)ccc1Cl ZINC000282252775 1118310190 /nfs/dbraw/zinc/31/01/90/1118310190.db2.gz ORLFKSFSCDKOES-NSHDSACASA-N 0 1 284.856 3.567 20 0 CHADMN C[N@@H+](Cc1ccccc1CC(=O)[O-])C1CCCCCCC1 ZINC000846244285 979421271 /nfs/dbraw/zinc/42/12/71/979421271.db2.gz UNAQWTKWRICQLY-UHFFFAOYSA-N 0 1 289.419 3.858 20 0 CHADMN C/C(=C\C[N@H+]1CCCC[C@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC000846253299 979425564 /nfs/dbraw/zinc/42/55/64/979425564.db2.gz ZWHKKHAVBCHGEU-JQVXPOPVSA-N 0 1 293.794 3.898 20 0 CHADMN C/C(=C/C[N@H+]1CCCC[C@@H]1c1cccc(C)c1C)C(=O)[O-] ZINC000846252012 979425744 /nfs/dbraw/zinc/42/57/44/979425744.db2.gz SJXRVBBPAVPRHB-OOXMNIKJSA-N 0 1 287.403 3.861 20 0 CHADMN CC(C)CC[C@H]1CCC[N@H+]1Cc1ccccc1CC(=O)[O-] ZINC000846255151 979426676 /nfs/dbraw/zinc/42/66/76/979426676.db2.gz NPXBIAIANKCFEJ-QGZVFWFLSA-N 0 1 289.419 3.714 20 0 CHADMN CC(C)c1cccc2c1CC[N@@H+](CCC(C)(C)C(=O)[O-])C2 ZINC000859797783 979633663 /nfs/dbraw/zinc/63/36/63/979633663.db2.gz OVDKSYGZKBGRFO-UHFFFAOYSA-N 0 1 289.419 3.669 20 0 CHADMN COc1cccnc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210923977 1118422866 /nfs/dbraw/zinc/42/28/66/1118422866.db2.gz ASBKJJDQWOYZRH-UHFFFAOYSA-N 0 1 285.130 3.846 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000872159164 980041715 /nfs/dbraw/zinc/04/17/15/980041715.db2.gz PCKKMUBWEZVGPE-BXUZGUMPSA-N 0 1 281.421 3.847 20 0 CHADMN O=C([O-])CCC[N@@H+](CCCC1CC1)Cc1ccccc1 ZINC000872161118 980048289 /nfs/dbraw/zinc/04/82/89/980048289.db2.gz SVNNEORWYYMFMX-UHFFFAOYSA-N 0 1 275.392 3.544 20 0 CHADMN C[C@@H](C[N@H+]1CCc2c(cccc2C(=O)[O-])C1)CC(C)(C)C ZINC000872161584 980050318 /nfs/dbraw/zinc/05/03/18/980050318.db2.gz CLIPVYBQKQLKJE-CYBMUJFWSA-N 0 1 289.419 3.815 20 0 CHADMN C[C@H](C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)C(C)(C)C ZINC000872162377 980052422 /nfs/dbraw/zinc/05/24/22/980052422.db2.gz PDYUJYYSZMWCEH-CBBWQLFWSA-N 0 1 281.440 3.634 20 0 CHADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1cccc(C2CCCC2)c1 ZINC000901589200 980394825 /nfs/dbraw/zinc/39/48/25/980394825.db2.gz LBGCKAPSLOCROF-UHFFFAOYSA-N 0 1 289.419 3.887 20 0 CHADMN CC(C)C[N@H+](CCC(=O)[O-])CC[C@H](C)c1ccccc1 ZINC000901596769 980399188 /nfs/dbraw/zinc/39/91/88/980399188.db2.gz YVZNMSSGRDOFET-HNNXBMFYSA-N 0 1 277.408 3.613 20 0 CHADMN C[C@H](Cc1ccccc1)C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000901646491 980423480 /nfs/dbraw/zinc/42/34/80/980423480.db2.gz OTFRORIYUGYXRD-CQSZACIVSA-N 0 1 295.382 3.579 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000901698675 980453776 /nfs/dbraw/zinc/45/37/76/980453776.db2.gz YYVPTTPKYJGTJZ-YOEHRIQHSA-N 0 1 281.440 3.780 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@H+](CCC(=O)[O-])C(C)C ZINC000901979646 980659756 /nfs/dbraw/zinc/65/97/56/980659756.db2.gz XGZHAUFGGLNMKN-UHFFFAOYSA-N 0 1 283.799 3.642 20 0 CHADMN CC(C)c1ccc(CC[N@@H+](CC(=O)[O-])C2CCCC2)cc1 ZINC000902039372 980710453 /nfs/dbraw/zinc/71/04/53/980710453.db2.gz BMGDMUJRFFENNZ-UHFFFAOYSA-N 0 1 289.419 3.682 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])C[C@H]1CC=CCC1 ZINC001595360743 980754604 /nfs/dbraw/zinc/75/46/04/980754604.db2.gz NPVFPBJQPASUAN-RDJZCZTQSA-N 0 1 287.403 3.881 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cccs1 ZINC001595363233 980779822 /nfs/dbraw/zinc/77/98/22/980779822.db2.gz YWLPDWPPFPDKQD-OAHLLOKOSA-N 0 1 289.400 3.786 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001595364359 980793145 /nfs/dbraw/zinc/79/31/45/980793145.db2.gz QMRFSUWOTZIXFP-SOLBZPMBSA-N 0 1 287.403 3.715 20 0 CHADMN O=C([O-])/C=C\c1ccc(C[N@H+]2CCC3(C2)CCCCC3)o1 ZINC000902323015 980832013 /nfs/dbraw/zinc/83/20/13/980832013.db2.gz PZLAAQNXXIGUGV-SREVYHEPSA-N 0 1 289.375 3.534 20 0 CHADMN CC(C)(CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000902543958 980927592 /nfs/dbraw/zinc/92/75/92/980927592.db2.gz XILZHILZLDAAKJ-HNNXBMFYSA-N 0 1 293.382 3.854 20 0 CHADMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000902545209 980927862 /nfs/dbraw/zinc/92/78/62/980927862.db2.gz GNYUJNQNIXEJKV-IINYFYTJSA-N 0 1 281.783 3.659 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc2ccccc21 ZINC000903596955 980980067 /nfs/dbraw/zinc/98/00/67/980980067.db2.gz YMXCPCFNCIERGY-DYVFJYSZSA-N 0 1 285.387 3.771 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000903598375 980981269 /nfs/dbraw/zinc/98/12/69/980981269.db2.gz VYHAGNIBSHYUSI-IHRRRGAJSA-N 0 1 269.429 3.634 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000903617423 980995068 /nfs/dbraw/zinc/99/50/68/980995068.db2.gz XBPAKPGFQQWKAP-CQSZACIVSA-N 0 1 289.419 3.959 20 0 CHADMN C[C@@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903890693 981023126 /nfs/dbraw/zinc/02/31/26/981023126.db2.gz CDUASPHKLOWAND-CYBMUJFWSA-N 0 1 298.386 3.698 20 0 CHADMN CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001595444178 981086410 /nfs/dbraw/zinc/08/64/10/981086410.db2.gz KDQLLJUDJDCHSH-SWLSCSKDSA-N 0 1 279.380 3.687 20 0 CHADMN CCC(C)(C)CC[N@@H+](C)[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC000905374335 981097637 /nfs/dbraw/zinc/09/76/37/981097637.db2.gz ZKBBBFNBVCZCRQ-OAHLLOKOSA-N 0 1 293.407 3.579 20 0 CHADMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2F)C1(C)C ZINC001167468311 1118612203 /nfs/dbraw/zinc/61/22/03/1118612203.db2.gz QOIYWGYEKMVBEI-CABCVRRESA-N 0 1 283.362 3.600 20 0 CHADMN CCO[C@H]1C[C@@H](N(C)Cc2ccc(F)cc2F)C1(C)C ZINC001167468311 1118612208 /nfs/dbraw/zinc/61/22/08/1118612208.db2.gz QOIYWGYEKMVBEI-CABCVRRESA-N 0 1 283.362 3.600 20 0 CHADMN CCC[C@]1(C)CCC[N@H+]([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001595617573 981654686 /nfs/dbraw/zinc/65/46/86/981654686.db2.gz QZUQKKJTSXZWOX-IAQYHMDHSA-N 0 1 296.436 3.805 20 0 CHADMN COc1ccc(CN2CCCC(F)(F)CC2)c(Cl)c1 ZINC000625769919 1118662494 /nfs/dbraw/zinc/66/24/94/1118662494.db2.gz OZJISJSZYLPFTJ-UHFFFAOYSA-N 0 1 289.753 3.970 20 0 CHADMN CC[C@](C)(C(=O)[O-])[N@@H+](CCCc1ccccc1)CC1CC1 ZINC001594787667 981825769 /nfs/dbraw/zinc/82/57/69/981825769.db2.gz KHPVNZFNFZNBSX-GOSISDBHSA-N 0 1 289.419 3.585 20 0 CHADMN CCCC[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])c(C)c1 ZINC001595631150 981834549 /nfs/dbraw/zinc/83/45/49/981834549.db2.gz DXSGTZJJQVDIBO-ZDUSSCGKSA-N 0 1 263.381 3.704 20 0 CHADMN CCCC[C@H](C)[N@@H+](CCCC)Cc1ccc(C(=O)[O-])[nH]1 ZINC001595631949 981847425 /nfs/dbraw/zinc/84/74/25/981847425.db2.gz LLAAXRKYCMTNCI-ZDUSSCGKSA-N 0 1 280.412 3.894 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1C[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001595690172 982192533 /nfs/dbraw/zinc/19/25/33/982192533.db2.gz KBXQAWXHUDGGPM-OAGGEKHMSA-N 0 1 281.440 3.922 20 0 CHADMN CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC001594931936 982572950 /nfs/dbraw/zinc/57/29/50/982572950.db2.gz ZRMPACORTNPBTL-WCQYABFASA-N 0 1 281.421 3.847 20 0 CHADMN CC[C@@H](C)C[N@@H+](CC)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001594961010 982714344 /nfs/dbraw/zinc/71/43/44/982714344.db2.gz SSMCJOSEMQBOEM-RISCZKNCSA-N 0 1 283.799 3.834 20 0 CHADMN C[C@H](CC1CCC1)NCc1nc(C(C)(C)C)co1 ZINC000724394426 1118987266 /nfs/dbraw/zinc/98/72/66/1118987266.db2.gz LYYODSYVNHHCSC-LLVKDONJSA-N 0 1 250.386 3.640 20 0 CHADMN CC(C)(C)c1coc(CNC2CCCCCC2)n1 ZINC000724429942 1119001020 /nfs/dbraw/zinc/00/10/20/1119001020.db2.gz RMMIBEWFGMRAKX-UHFFFAOYSA-N 0 1 250.386 3.785 20 0 CHADMN Cc1ccccc1[C@@H](CC(C)C)NCc1cc[nH]n1 ZINC000112379165 1125486035 /nfs/dbraw/zinc/48/60/35/1125486035.db2.gz QLGQCYJPHFTYIR-MRXNPFEDSA-N 0 1 257.381 3.595 20 0 CHADMN CCc1nc(CS[C@@H](CC)c2ccccc2)n[nH]1 ZINC000130987193 1125486126 /nfs/dbraw/zinc/48/61/26/1125486126.db2.gz YKJNYWNDZLHNQV-LBPRGKRZSA-N 0 1 261.394 3.752 20 0 CHADMN COc1ccc2nc(S[C@H](C)c3cccnc3)[nH]c2c1 ZINC000048833394 1125488004 /nfs/dbraw/zinc/48/80/04/1125488004.db2.gz IXBUGDJWPRPTFK-SNVBAGLBSA-N 0 1 285.372 3.820 20 0 CHADMN C[C@@H]1CCC[C@H](C)N(Cc2noc(-c3ccsc3)n2)C1 ZINC000131013982 1125488348 /nfs/dbraw/zinc/48/83/48/1125488348.db2.gz TXIAPYHFJJLWED-NEPJUHHUSA-N 0 1 291.420 3.809 20 0 CHADMN Cc1nnc([C@H](C)Sc2nc3ccc(Cl)cc3[nH]2)o1 ZINC000048986619 1125488897 /nfs/dbraw/zinc/48/88/97/1125488897.db2.gz RLODPOPWVIUVTN-LURJTMIESA-N 0 1 294.767 3.761 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)Nc1cc(F)ccc1F ZINC001202658335 1125491620 /nfs/dbraw/zinc/49/16/20/1125491620.db2.gz PKQORPQCOVWQHB-UHFFFAOYSA-N 0 1 298.676 3.968 20 0 CHADMN CC(C)(C)c1nc(CN[C@]2(C)CC2(C)C)cs1 ZINC000657761606 1119358571 /nfs/dbraw/zinc/35/85/71/1119358571.db2.gz OWAJAZQRRYPWIE-CQSZACIVSA-N 0 1 252.427 3.719 20 0 CHADMN C[C@]1(C[N@@H+](CC(=O)[O-])C2CCCC2)C[C@@H]1c1ccccc1 ZINC001599938747 985428518 /nfs/dbraw/zinc/42/85/18/985428518.db2.gz SLXANPOSKJCVBC-SJLPKXTDSA-N 0 1 287.403 3.509 20 0 CHADMN CCCn1cc(CN2CCSC3(CCCCC3)C2)cn1 ZINC000131554527 1125493637 /nfs/dbraw/zinc/49/36/37/1125493637.db2.gz QOGXGNAHUWEASX-UHFFFAOYSA-N 0 1 293.480 3.545 20 0 CHADMN C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)[C@@H](C)[C@H]1C ZINC001594503449 985698720 /nfs/dbraw/zinc/69/87/20/985698720.db2.gz YRHIMRKYUHEQCO-YCWTYVPXSA-N 0 1 299.773 3.581 20 0 CHADMN Cc1[nH]c(C[N@H+](CC(C)C)CC(C)(C)C)cc1C(=O)[O-] ZINC001599961414 985788531 /nfs/dbraw/zinc/78/85/31/985788531.db2.gz FLMBKNQFKRGBFN-UHFFFAOYSA-N 0 1 280.412 3.525 20 0 CHADMN CCCCS[C@@H](C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000049247804 1125494182 /nfs/dbraw/zinc/49/41/82/1125494182.db2.gz CSHCLMPUIOUYDS-JTQLQIEISA-N 0 1 291.420 3.732 20 0 CHADMN CCC[C@H]1CCC[N@@H+](Cc2ccc(O)c(F)c2)C1 ZINC000708466255 1119481098 /nfs/dbraw/zinc/48/10/98/1119481098.db2.gz GUJZXTUXNLOVBL-LBPRGKRZSA-N 0 1 251.345 3.543 20 0 CHADMN CCC[C@H]1CCC[N@H+](Cc2ccc([O-])c(F)c2)C1 ZINC000708466255 1119481100 /nfs/dbraw/zinc/48/11/00/1119481100.db2.gz GUJZXTUXNLOVBL-LBPRGKRZSA-N 0 1 251.345 3.543 20 0 CHADMN CCC[C@H]1CCC[N@@H+](Cc2ccc([O-])c(F)c2)C1 ZINC000708466255 1119481101 /nfs/dbraw/zinc/48/11/01/1119481101.db2.gz GUJZXTUXNLOVBL-LBPRGKRZSA-N 0 1 251.345 3.543 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@H+]([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001594686099 987061452 /nfs/dbraw/zinc/06/14/52/987061452.db2.gz MYBZRATTZBMNII-RRNNCXACSA-N 0 1 294.420 3.581 20 0 CHADMN Cc1c[nH]nc1CN[C@H](CC(C)C)c1cccs1 ZINC000685613882 1119637441 /nfs/dbraw/zinc/63/74/41/1119637441.db2.gz WUYLGUYWIMGNFZ-GFCCVEGCSA-N 0 1 263.410 3.657 20 0 CHADMN OC/C=C\CN[C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000658134700 1119686824 /nfs/dbraw/zinc/68/68/24/1119686824.db2.gz RKUZABJHQXJBPF-JKERVTFKSA-N 0 1 292.231 3.570 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001589732137 987954854 /nfs/dbraw/zinc/95/48/54/987954854.db2.gz GHOLRBQWYNPFQJ-ZNMIVQPWSA-N 0 1 281.440 3.636 20 0 CHADMN CCc1cccc(C[N@@H+](CC2CC2)[C@](C)(CC)C(=O)[O-])c1 ZINC001597587246 988410937 /nfs/dbraw/zinc/41/09/37/988410937.db2.gz SQBILZFNMYXCED-GOSISDBHSA-N 0 1 289.419 3.714 20 0 CHADMN Cc1nccc(NCc2ccc(Cl)o2)c1Cl ZINC000309709107 1119833589 /nfs/dbraw/zinc/83/35/89/1119833589.db2.gz PVONKYCUZVUEJL-UHFFFAOYSA-N 0 1 257.120 3.902 20 0 CHADMN CC(C)c1nnc(CN2C[C@H](c3ccccc3)C[C@@H]2C)o1 ZINC000115555166 1125504598 /nfs/dbraw/zinc/50/45/98/1125504598.db2.gz NBQVPKPELPMVAA-DZGCQCFKSA-N 0 1 285.391 3.571 20 0 CHADMN CC(C)[C@H]1CC[C@@H](N[C@@H](C)c2csnn2)C[C@@H]1C ZINC000414297322 1119971500 /nfs/dbraw/zinc/97/15/00/1119971500.db2.gz HFMLCWAHDFGEQI-WUHRBBMRSA-N 0 1 267.442 3.650 20 0 CHADMN CC(C)(CC[N@H+]1CC(C)(C)[C@H]1c1ccccc1)C(=O)[O-] ZINC001590670538 990372434 /nfs/dbraw/zinc/37/24/34/990372434.db2.gz FPZODDSTMPRPII-CQSZACIVSA-N 0 1 275.392 3.570 20 0 CHADMN CC1(C)CCN1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000542701257 1120122022 /nfs/dbraw/zinc/12/20/22/1120122022.db2.gz ATWSBPYWHKOUIB-UHFFFAOYSA-N 0 1 291.288 3.751 20 0 CHADMN C[N@@H+](C[C@@H]1CCCC(C)(C)C1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598453445 991914955 /nfs/dbraw/zinc/91/49/55/991914955.db2.gz JMRBGQXXJBPXDS-GDBMZVCRSA-N 0 1 289.419 3.961 20 0 CHADMN CC(C)C[C@@]1(C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC001591191734 992004664 /nfs/dbraw/zinc/00/46/64/992004664.db2.gz DWZUWKBSUVCRCR-QGZVFWFLSA-N 0 1 293.382 3.925 20 0 CHADMN C[C@H]1CN(CCC2CCC2)C[C@@H](c2ccsc2)O1 ZINC000660004210 1120336175 /nfs/dbraw/zinc/33/61/75/1120336175.db2.gz YHFAIIDRQJQUJO-WFASDCNBSA-N 0 1 265.422 3.700 20 0 CHADMN CCCc1ccc(CNCc2nc3c(s2)CCC3)s1 ZINC000922471558 1120542072 /nfs/dbraw/zinc/54/20/72/1120542072.db2.gz GDTHRYGBHJYMSE-UHFFFAOYSA-N 0 1 292.473 3.936 20 0 CHADMN C[C@@H](CCO)N(C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000652048522 1120571784 /nfs/dbraw/zinc/57/17/84/1120571784.db2.gz OPAPIMYQQYEPKH-VIFPVBQESA-N 0 1 295.732 3.562 20 0 CHADMN FC1(F)CCC[C@@H]1NC[C@H]1C[C@H]1c1ccccc1 ZINC000673618562 1120601799 /nfs/dbraw/zinc/60/17/99/1120601799.db2.gz QVHZEVIKEYIPRV-RDBSUJKOSA-N 0 1 251.320 3.568 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)[C@@H]1C1CC1 ZINC001593942092 996962833 /nfs/dbraw/zinc/96/28/33/996962833.db2.gz CXIQPRIKOUYDRF-CQSZACIVSA-N 0 1 293.794 3.659 20 0 CHADMN CCN1CCC[C@H](O[C@](F)(Cl)c2ccccc2)C1 ZINC001222957799 1120843158 /nfs/dbraw/zinc/84/31/58/1120843158.db2.gz OIRFIQLOTIIZBB-KBPBESRZSA-N 0 1 271.763 3.506 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCCC2(C1)CCCCCC2 ZINC000652430628 1120861141 /nfs/dbraw/zinc/86/11/41/1120861141.db2.gz RKROUZCJKLVNIB-AWEZNQCLSA-N 0 1 267.413 3.676 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2CCCC3(CC3)C2)n1 ZINC000663251902 1120900063 /nfs/dbraw/zinc/90/00/63/1120900063.db2.gz XSPQHIKTTUZQFL-NEPJUHHUSA-N 0 1 263.385 3.553 20 0 CHADMN CCC(CC)CCCN(C)[C@H](CC(C)C)C(=O)OC ZINC001174956946 1121110696 /nfs/dbraw/zinc/11/06/96/1121110696.db2.gz NCIZHYMPXZCYHY-OAHLLOKOSA-N 0 1 271.445 3.722 20 0 CHADMN OCCCCNCc1c(Cl)ccc(Cl)c1Cl ZINC000236498974 1121231986 /nfs/dbraw/zinc/23/19/86/1121231986.db2.gz PISQZVDOQPEUHT-UHFFFAOYSA-N 0 1 282.598 3.509 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1Cc1nnc(C(C)(C)C)[nH]1 ZINC000432785162 1121347636 /nfs/dbraw/zinc/34/76/36/1121347636.db2.gz RWHIDHMGHZLQBS-STQMWFEESA-N 0 1 278.444 3.503 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1Cc1nnc(C(C)(C)C)[nH]1 ZINC000432821404 1121391034 /nfs/dbraw/zinc/39/10/34/1121391034.db2.gz JLELRJKWEUJYGT-CHWSQXEVSA-N 0 1 278.444 3.503 20 0 CHADMN CC(C)(O)[C@H]1CCCN1Cc1ccc(C(F)(F)F)s1 ZINC000432914874 1121476481 /nfs/dbraw/zinc/47/64/81/1121476481.db2.gz JMOHRMUUIOVXSS-SNVBAGLBSA-N 0 1 293.354 3.502 20 0 CHADMN CCCCc1noc([C@@H](C)N2CC[C@@H](CC(C)C)C2)n1 ZINC000466744757 1121596172 /nfs/dbraw/zinc/59/61/72/1121596172.db2.gz VVCWNUOHUDRCRA-KGLIPLIRSA-N 0 1 279.428 3.841 20 0 CHADMN CC(C)Oc1c(Cl)cc(-n2cncc2N)cc1Cl ZINC001176529329 1121643807 /nfs/dbraw/zinc/64/38/07/1121643807.db2.gz ZUWQBYKBJFMYDB-UHFFFAOYSA-N 0 1 286.162 3.549 20 0 CHADMN C[C@@]1(F)CCCN(Cc2c(F)cccc2F)CC1 ZINC001204202627 1121748228 /nfs/dbraw/zinc/74/82/28/1121748228.db2.gz JPVITZNVWURBKE-CQSZACIVSA-N 0 1 257.299 3.679 20 0 CHADMN CN(C)c1ccc(F)cc1CN(C)Cc1cccs1 ZINC001204221318 1121796364 /nfs/dbraw/zinc/79/63/64/1121796364.db2.gz UENFMZIXIQBZJV-UHFFFAOYSA-N 0 1 278.396 3.585 20 0 CHADMN Clc1cnc(CNC[C@H]2C[C@H]2C2CCCC2)s1 ZINC001179815248 1121912511 /nfs/dbraw/zinc/91/25/11/1121912511.db2.gz FFQSCKAGYIPEHZ-MNOVXSKESA-N 0 1 270.829 3.712 20 0 CHADMN CCCC1CCN(Cc2ccnn2CC(C)C)CC1 ZINC001180064440 1121945033 /nfs/dbraw/zinc/94/50/33/1121945033.db2.gz JDPUJCCUBVFHNA-UHFFFAOYSA-N 0 1 263.429 3.551 20 0 CHADMN CC(C)Oc1c(F)cc(CCN2CCCCC2)cc1F ZINC001250241838 1122394627 /nfs/dbraw/zinc/39/46/27/1122394627.db2.gz KRCHDNKTNAMJRU-UHFFFAOYSA-N 0 1 283.362 3.780 20 0 CHADMN CCc1cnc(CN(C)C2CCC(CC)CC2)o1 ZINC000516130607 1122571260 /nfs/dbraw/zinc/57/12/60/1122571260.db2.gz YXCYSHCZZQSUOK-UHFFFAOYSA-N 0 1 250.386 3.638 20 0 CHADMN CCC(CC)n1ccc(CN2CC[C@@](C)(CC)C2)n1 ZINC000438547814 1122708964 /nfs/dbraw/zinc/70/89/64/1122708964.db2.gz QCYSBFNQMNDAMR-MRXNPFEDSA-N 0 1 263.429 3.866 20 0 CHADMN CSc1ccccc1NC(=O)CN(C)CCCC(C)C ZINC000426482349 1122801570 /nfs/dbraw/zinc/80/15/70/1122801570.db2.gz KYXNDJAJUUZFQW-UHFFFAOYSA-N 0 1 294.464 3.715 20 0 CHADMN COc1ccc(CN(C)[C@H]2CC2(C)C)c(Cl)c1OC ZINC000426547733 1122817308 /nfs/dbraw/zinc/81/73/08/1122817308.db2.gz GLKBTMISHOYXRS-LBPRGKRZSA-N 0 1 283.799 3.588 20 0 CHADMN Fc1cccc(N=C2CCC(C(F)(F)F)CC2)n1 ZINC001195835903 1122894028 /nfs/dbraw/zinc/89/40/28/1122894028.db2.gz TUSCZMYDXLPTDB-QMMMGPOBSA-N 0 1 260.234 3.879 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCCN1C[C@H]1CC1(Cl)Cl ZINC000775866308 1122996089 /nfs/dbraw/zinc/99/60/89/1122996089.db2.gz FLXAUCHWOXRMDJ-IWSPIJDZSA-N 0 1 290.156 3.843 20 0 CHADMN CC[C@@H]1CCC[C@@H]1N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000330563184 1123120734 /nfs/dbraw/zinc/12/07/34/1123120734.db2.gz IWXBPCVKALPSRL-UTUOFQBUSA-N 0 1 265.401 3.596 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CCN(C(=O)C(C)C)CC1 ZINC001201994190 1123168192 /nfs/dbraw/zinc/16/81/92/1123168192.db2.gz LYVCBMVQHNVHOV-KRWDZBQOSA-N 0 1 294.483 3.559 20 0 CHADMN C[C@@H]1C[C@H](C)CCN(Cc2ncc(C(C)(C)C)o2)C1 ZINC000443640952 1123455509 /nfs/dbraw/zinc/45/55/09/1123455509.db2.gz KSPWBQFTORARGM-CHWSQXEVSA-N 0 1 264.413 3.840 20 0 CHADMN COCc1cnc(CN(C)[C@H](C)C2CCCCC2)s1 ZINC000338957778 1123467632 /nfs/dbraw/zinc/46/76/32/1123467632.db2.gz LFEBYAHRVILWOS-GFCCVEGCSA-N 0 1 282.453 3.690 20 0 CHADMN CC(C)(C)[C@@H]1C[C@@H](NCc2cc(C3CC3)no2)CS1 ZINC000895763729 1123511737 /nfs/dbraw/zinc/51/17/37/1123511737.db2.gz AUHBVRMVFWJRSX-RISCZKNCSA-N 0 1 280.437 3.562 20 0 CHADMN CCCSC[C@@H](C)NCc1noc2ccc(F)cc12 ZINC000895819767 1123517711 /nfs/dbraw/zinc/51/77/11/1123517711.db2.gz LSQCMMGCPXHQRC-SNVBAGLBSA-N 0 1 282.384 3.588 20 0 CHADMN CCc1nnc(CNCC(CC)(CC)C(F)(F)F)s1 ZINC000895817508 1123517738 /nfs/dbraw/zinc/51/77/38/1123517738.db2.gz UDCHIVAHMPLPKW-UHFFFAOYSA-N 0 1 295.374 3.559 20 0 CHADMN Cc1cccc(CNCc2cnc(C(F)(F)F)s2)c1 ZINC000443989514 1123718903 /nfs/dbraw/zinc/71/89/03/1123718903.db2.gz LMRDVLZASDYYSC-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CC(C)(C)SCCCSc1nc(C2CC2)n[nH]1 ZINC000865350789 1123972909 /nfs/dbraw/zinc/97/29/09/1123972909.db2.gz PVVUZDHFJJUBHH-UHFFFAOYSA-N 0 1 271.455 3.696 20 0 CHADMN CC(C)(C)SCCCSc1n[nH]c(C2CC2)n1 ZINC000865350789 1123972913 /nfs/dbraw/zinc/97/29/13/1123972913.db2.gz PVVUZDHFJJUBHH-UHFFFAOYSA-N 0 1 271.455 3.696 20 0 CHADMN CCN(Cc1nc(CC(C)C)no1)[C@H]1CCCC[C@@H]1C ZINC000444661651 1124048881 /nfs/dbraw/zinc/04/88/81/1124048881.db2.gz LXRYDWAJLTZYHH-KBPBESRZSA-N 0 1 279.428 3.669 20 0 CHADMN CC(C)c1nc([C@H](C)NCC[C@H](O)C2CCCC2)cs1 ZINC000866639092 1124092745 /nfs/dbraw/zinc/09/27/45/1124092745.db2.gz WHFRHZKLCQDIHJ-WFASDCNBSA-N 0 1 296.480 3.858 20 0 CHADMN CC[C@@H](NCc1cnoc1C)c1ccc(Cl)s1 ZINC000445773018 1124101397 /nfs/dbraw/zinc/10/13/97/1124101397.db2.gz JDWAHLLEKGNFKR-SNVBAGLBSA-N 0 1 270.785 3.939 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1Cc1nc(CC(C)C)no1 ZINC000525328200 1124122523 /nfs/dbraw/zinc/12/25/23/1124122523.db2.gz CXYMTOBHMPZCRE-ZIAGYGMSSA-N 0 1 279.428 3.669 20 0 CHADMN CCCCc1nc(CN(C)C2CCC(OC)CC2)cs1 ZINC000360303547 1124129469 /nfs/dbraw/zinc/12/94/69/1124129469.db2.gz GREZGMHZVDUGEX-UHFFFAOYSA-N 0 1 296.480 3.875 20 0 CHADMN Cc1nc(CN(C)C[C@H]2CC(C)=C[C@@H](C)C2)cs1 ZINC000428462472 1124129994 /nfs/dbraw/zinc/12/99/94/1124129994.db2.gz UHGGZJLLYXROCF-BXUZGUMPSA-N 0 1 264.438 3.876 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1Cc1cnc(C(F)(F)F)s1 ZINC000447748349 1124518806 /nfs/dbraw/zinc/51/88/06/1124518806.db2.gz XIVZEBHICRQTAS-RKDXNWHRSA-N 0 1 278.343 3.782 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@H](C)c1cc(O)ccc1F ZINC000872063784 1124671309 /nfs/dbraw/zinc/67/13/09/1124671309.db2.gz ZWJQKXBGEAHXKX-BDAKNGLRSA-N 0 1 279.277 3.913 20 0 CHADMN C[C@@H](CC(C)(C)C)NCc1cc(COC(C)(C)C)on1 ZINC000449256759 1124677377 /nfs/dbraw/zinc/67/73/77/1124677377.db2.gz JTNHVYSUMXJDKO-LBPRGKRZSA-N 0 1 282.428 3.904 20 0 CHADMN C[C@@H](NCc1ncc(Cl)s1)C(C)(C)C(F)F ZINC000872113768 1124686846 /nfs/dbraw/zinc/68/68/46/1124686846.db2.gz SNFLUPOVSOUKNY-ZCFIWIBFSA-N 0 1 268.760 3.566 20 0 CHADMN CC[C@H](N[C@@H](C)[C@@H](C)c1ccc(OC)cc1)C(F)F ZINC000449366688 1124700971 /nfs/dbraw/zinc/70/09/71/1124700971.db2.gz ZVJSXDKOBLCFCC-SUNKGSAMSA-N 0 1 271.351 3.821 20 0 CHADMN FCC(CF)N[C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000449381021 1124717619 /nfs/dbraw/zinc/71/76/19/1124717619.db2.gz QCZAPPVYRISXAE-TZMCWYRMSA-N 0 1 273.754 3.873 20 0 CHADMN C[C@H](CC1CCCC1)NCc1ncc(C(F)(F)F)cn1 ZINC000449469814 1124750384 /nfs/dbraw/zinc/75/03/84/1124750384.db2.gz ILFHRCBZKRCZOT-SNVBAGLBSA-N 0 1 287.329 3.554 20 0 CHADMN C[C@H]1CN(C[C@]2(C)CC2(Cl)Cl)CC2(CCCC2)O1 ZINC000830858903 1131471112 /nfs/dbraw/zinc/47/11/12/1131471112.db2.gz CEXQYLRHXWJIGL-RYUDHWBXSA-N 0 1 292.250 3.604 20 0 CHADMN C[C@H](O)C[C@@H]1CCCN1Cc1ccsc1C(F)(F)F ZINC000529529421 1124980508 /nfs/dbraw/zinc/98/05/08/1124980508.db2.gz BHPDSAJMXNASIJ-ONGXEEELSA-N 0 1 293.354 3.502 20 0 CHADMN Cc1ccsc1CN1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000877822490 1125087293 /nfs/dbraw/zinc/08/72/93/1125087293.db2.gz GZOROVQMIOQDBK-PWSUYJOCSA-N 0 1 293.354 3.598 20 0 CHADMN C[C@@]1(C2CCCCC2)CCN1Cc1cscn1 ZINC000879788092 1125234618 /nfs/dbraw/zinc/23/46/18/1125234618.db2.gz QSMVQXDZEULLBK-AWEZNQCLSA-N 0 1 250.411 3.688 20 0 CHADMN Cc1cccc([C@@H](C)N2CCO[C@H](C(F)(F)F)CC2)c1 ZINC000880047673 1125248581 /nfs/dbraw/zinc/24/85/81/1125248581.db2.gz WIJMCDUQLUVQPP-OCCSQVGLSA-N 0 1 287.325 3.709 20 0 CHADMN CCc1coc(CN[C@@H](C)Cc2ccc(Cl)cc2)n1 ZINC001168149708 1125267233 /nfs/dbraw/zinc/26/72/33/1125267233.db2.gz NPHKJBXGJFMHGA-NSHDSACASA-N 0 1 278.783 3.611 20 0 CHADMN CC(C)(C)c1nc(SC[C@H]2CCCC(C)(C)O2)n[nH]1 ZINC000882090577 1125335203 /nfs/dbraw/zinc/33/52/03/1125335203.db2.gz ZRWTXBVNGUWOQG-SNVBAGLBSA-N 0 1 283.441 3.542 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2C[C@H]2c2ccco2)c(C)s1 ZINC000666267392 1125345237 /nfs/dbraw/zinc/34/52/37/1125345237.db2.gz DTLXTHWJDQAFKP-XXILOJSOSA-N 0 1 262.378 3.560 20 0 CHADMN CC(C)(O)[C@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000721869643 1125381829 /nfs/dbraw/zinc/38/18/29/1125381829.db2.gz LJTKZOPMXATLIT-NSHDSACASA-N 0 1 288.218 3.586 20 0 CHADMN CN(CCF)Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001138315778 1131490251 /nfs/dbraw/zinc/49/02/51/1131490251.db2.gz MTTUCHVORPEGJA-UHFFFAOYSA-N 0 1 262.372 3.867 20 0 CHADMN COc1c(F)ccc(CN2CC[C@H](C)C[C@H]2C)c1F ZINC001143322085 1131495440 /nfs/dbraw/zinc/49/54/40/1131495440.db2.gz UGOOGQUNAXRMIQ-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN COc1ccc(CN2CCC[C@H]2C)cc1C(F)(F)F ZINC001143629089 1131519002 /nfs/dbraw/zinc/51/90/02/1131519002.db2.gz SBQRFYYFAZHKSA-SNVBAGLBSA-N 0 1 273.298 3.698 20 0 CHADMN CCOc1ccc(C)cc1CN1CCC(F)(F)CC1 ZINC001139602508 1131620715 /nfs/dbraw/zinc/62/07/15/1131620715.db2.gz PJWHLGJFHJGMPW-UHFFFAOYSA-N 0 1 269.335 3.625 20 0 CHADMN COc1cc(C[N@H+]2CC[C@](C)(CF)C2)ccc1Cl ZINC001139612142 1131621335 /nfs/dbraw/zinc/62/13/35/1131621335.db2.gz ODHRJUWUDKMHMK-CQSZACIVSA-N 0 1 271.763 3.530 20 0 CHADMN COc1cc(CN2CC[C@](C)(CF)C2)ccc1Cl ZINC001139612142 1131621338 /nfs/dbraw/zinc/62/13/38/1131621338.db2.gz ODHRJUWUDKMHMK-CQSZACIVSA-N 0 1 271.763 3.530 20 0 CHADMN COc1cc(CN2CCCCC23CC3)ccc1Cl ZINC001139614687 1131622841 /nfs/dbraw/zinc/62/28/41/1131622841.db2.gz PUIVGRWZCPYXLE-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN COc1cc(Cl)cc(C[N@H+]2CCCC(F)(F)CC2)c1 ZINC001144479183 1131641455 /nfs/dbraw/zinc/64/14/55/1131641455.db2.gz RJNBSFANICNNPT-UHFFFAOYSA-N 0 1 289.753 3.970 20 0 CHADMN COc1cc(Cl)cc(CN2CCCC(F)(F)CC2)c1 ZINC001144479183 1131641457 /nfs/dbraw/zinc/64/14/57/1131641457.db2.gz RJNBSFANICNNPT-UHFFFAOYSA-N 0 1 289.753 3.970 20 0 CHADMN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C)C2)c1 ZINC001144478722 1131641561 /nfs/dbraw/zinc/64/15/61/1131641561.db2.gz MOFGSHADDDTWBA-NSHDSACASA-N 0 1 253.773 3.581 20 0 CHADMN COc1c(F)ccc(F)c1CN(C)C1CCCCC1 ZINC001144744653 1131700144 /nfs/dbraw/zinc/70/01/44/1131700144.db2.gz CRJPMNHLARZJED-UHFFFAOYSA-N 0 1 269.335 3.738 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCCCC[C@H]1C ZINC001144754669 1131703535 /nfs/dbraw/zinc/70/35/35/1131703535.db2.gz KWLKWHBPLVUMGI-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN C[C@@H]1CN(Cc2cc(F)cc(Cl)c2)C2(CC2)C1 ZINC001140542928 1131786842 /nfs/dbraw/zinc/78/68/42/1131786842.db2.gz UFODFUUAJFLWRL-JTQLQIEISA-N 0 1 253.748 3.854 20 0 CHADMN Cc1ccc(F)cc1CN1CCCC[C@](C)(F)C1 ZINC001140589395 1131813840 /nfs/dbraw/zinc/81/38/40/1131813840.db2.gz CWXIKULBIZDVLN-HNNXBMFYSA-N 0 1 253.336 3.848 20 0 CHADMN CC1CC(N(C)Cc2cc(F)c(Cl)cc2F)C1 ZINC001140699437 1131879434 /nfs/dbraw/zinc/87/94/34/1131879434.db2.gz PLGNYRDSYASBSY-UHFFFAOYSA-N 0 1 259.727 3.849 20 0 CHADMN Cc1cc(F)ccc1CN1CCCC[C@@](C)(F)C1 ZINC001140779244 1131914969 /nfs/dbraw/zinc/91/49/69/1131914969.db2.gz FSTHCISZKGQRGM-OAHLLOKOSA-N 0 1 253.336 3.848 20 0 CHADMN COc1ccc(CN2CCC[C@@H](C)C2)c(Br)c1 ZINC001140755460 1131907997 /nfs/dbraw/zinc/90/79/97/1131907997.db2.gz GPVPTTSWXHYPGY-LLVKDONJSA-N 0 1 298.224 3.690 20 0 CHADMN CCCO[C@H]1CCN(Cc2ccc(C)cc2Cl)C1 ZINC001140798812 1131923281 /nfs/dbraw/zinc/92/32/81/1131923281.db2.gz VRDJJCVOYGKJLN-AWEZNQCLSA-N 0 1 267.800 3.649 20 0 CHADMN CCCC[N@@H+](CCC)Cc1ccc([O-])c(F)c1F ZINC001140891040 1131958954 /nfs/dbraw/zinc/95/89/54/1131958954.db2.gz RTDGQNDVFGTOJX-UHFFFAOYSA-N 0 1 257.324 3.683 20 0 CHADMN C[C@H](NCc1ccccc1C1CC1)c1ccns1 ZINC000715952072 1131998355 /nfs/dbraw/zinc/99/83/55/1131998355.db2.gz FZBQODUUDXPIPV-NSHDSACASA-N 0 1 258.390 3.871 20 0 CHADMN C[C@@H]1CCCC[C@@H]1Oc1ccc(F)cc1CN(C)C ZINC001229854314 1132125765 /nfs/dbraw/zinc/12/57/65/1132125765.db2.gz LMFNQTLYHCLTDZ-DOMZBBRYSA-N 0 1 265.372 3.845 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)[C@H]1COC(C)(C)C1 ZINC001172294159 1132165786 /nfs/dbraw/zinc/16/57/86/1132165786.db2.gz VNSREERTQGLBHF-VXGBXAGGSA-N 0 1 267.800 3.900 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1c[nH]c2cc(Cl)ccc12 ZINC001141579174 1132188769 /nfs/dbraw/zinc/18/87/69/1132188769.db2.gz DBIYDSRUDOHDSR-SKDRFNHKSA-N 0 1 266.747 3.754 20 0 CHADMN CCC(CC)(CC)C(=O)Nc1ccc(F)c(F)c1O ZINC001141879578 1132260797 /nfs/dbraw/zinc/26/07/97/1132260797.db2.gz DMXCEXCRFJOFCJ-UHFFFAOYSA-N 0 1 271.307 3.825 20 0 CHADMN CSc1ccc(CN2CCC(C)(F)CC2)s1 ZINC001142018497 1132295679 /nfs/dbraw/zinc/29/56/79/1132295679.db2.gz HUSFDEXTHRPUCI-UHFFFAOYSA-N 0 1 259.415 3.794 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)N(C)Cc1ccno1 ZINC001172860022 1132346852 /nfs/dbraw/zinc/34/68/52/1132346852.db2.gz CIZFERYUZNUAER-SNVBAGLBSA-N 0 1 282.746 3.530 20 0 CHADMN C[C@@H](CSc1ccc(Cl)cc1)N1CC[C@@H](F)C1 ZINC001172876827 1132355210 /nfs/dbraw/zinc/35/52/10/1132355210.db2.gz OEYQDSBVIWXBBO-CMPLNLGQSA-N 0 1 273.804 3.864 20 0 CHADMN C[C@H]1CCN(Cc2ccnc(C(F)F)c2)CCC1(F)F ZINC001231887438 1132393158 /nfs/dbraw/zinc/39/31/58/1132393158.db2.gz RPODTZXNJPYNOP-JTQLQIEISA-N 0 1 290.304 3.886 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1c(Cl)n(C)nc1C(F)F ZINC001232056770 1132416987 /nfs/dbraw/zinc/41/69/87/1132416987.db2.gz WDXQBRSBCGWPKM-SNVBAGLBSA-N 0 1 291.773 3.632 20 0 CHADMN CCN(CC)Cc1c(Br)[nH]c2ccccc21 ZINC001232139127 1132426864 /nfs/dbraw/zinc/42/68/64/1132426864.db2.gz BQQRWMCVEUJAOQ-UHFFFAOYSA-N 0 1 281.197 3.772 20 0 CHADMN CCc1sc(CN2CC[C@@H](C)C2)cc1Br ZINC001232287663 1132448603 /nfs/dbraw/zinc/44/86/03/1132448603.db2.gz VUZMYLSNWUVMPC-SECBINFHSA-N 0 1 288.254 3.915 20 0 CHADMN Cc1cccc(F)c1CN1CCC[C@H](C(F)(F)F)C1 ZINC001232487050 1132480425 /nfs/dbraw/zinc/48/04/25/1132480425.db2.gz LJYUDEULYBQTAV-NSHDSACASA-N 0 1 275.289 3.908 20 0 CHADMN CCN(Cc1ccc(C(F)(F)F)nc1Cl)C(C)C ZINC001232790732 1132520109 /nfs/dbraw/zinc/52/01/09/1132520109.db2.gz WSXHDMINPWERJD-UHFFFAOYSA-N 0 1 280.721 3.984 20 0 CHADMN Cc1cc(CN2CCC[C@](C)(F)CC2)c(F)cc1F ZINC001232785416 1132521607 /nfs/dbraw/zinc/52/16/07/1132521607.db2.gz UMZFYEACHYTRRA-HNNXBMFYSA-N 0 1 271.326 3.987 20 0 CHADMN Fc1c(CN2CC[C@@H]3CCCC[C@@H]32)ccnc1Cl ZINC000843416436 1132531372 /nfs/dbraw/zinc/53/13/72/1132531372.db2.gz RYVQZRAFMHZZRC-JQWIXIFHSA-N 0 1 268.763 3.639 20 0 CHADMN CN(Cc1cccs1)Cc1ccc2ncoc2c1 ZINC001232940831 1132545228 /nfs/dbraw/zinc/54/52/28/1132545228.db2.gz GZWDSZMETBMTIF-UHFFFAOYSA-N 0 1 258.346 3.521 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(O)cc(Br)c2)[C@@H]1C ZINC001232998100 1132559714 /nfs/dbraw/zinc/55/97/14/1132559714.db2.gz HFGBFRKGIQMDLB-GHMZBOCLSA-N 0 1 298.224 3.775 20 0 CHADMN FC(F)(F)Oc1cc(Nc2ccncc2)ccc1Cl ZINC001173883347 1132623904 /nfs/dbraw/zinc/62/39/04/1132623904.db2.gz NRGDJIXKMRRUFR-UHFFFAOYSA-N 0 1 288.656 3.799 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)CC[C@@H]1O ZINC001203804303 1133371221 /nfs/dbraw/zinc/37/12/21/1133371221.db2.gz OYIGRGDAQZHKIN-HZMBPMFUSA-N 0 1 288.218 3.586 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)CC[C@@H]1O ZINC001203804303 1133371224 /nfs/dbraw/zinc/37/12/24/1133371224.db2.gz OYIGRGDAQZHKIN-HZMBPMFUSA-N 0 1 288.218 3.586 20 0 CHADMN C[C@@H](CC1CCCCC1)CN1CCO[C@H](C(F)F)C1 ZINC001207448690 1133801609 /nfs/dbraw/zinc/80/16/09/1133801609.db2.gz LTNKQAZASAEKOY-JSGCOSHPSA-N 0 1 275.383 3.559 20 0 CHADMN CS[C@@H](C)CCN1CCN(c2ccccc2Cl)CC1 ZINC001208146920 1133886581 /nfs/dbraw/zinc/88/65/81/1133886581.db2.gz JYQHNNIXCRETJI-ZDUSSCGKSA-N 0 1 298.883 3.604 20 0 CHADMN CC1(C)CCCN(Cc2cncc(Br)c2)CC1 ZINC000135021215 1125521989 /nfs/dbraw/zinc/52/19/89/1125521989.db2.gz BVEJXXLIZGIXKH-UHFFFAOYSA-N 0 1 297.240 3.856 20 0 CHADMN Cc1nnc(CN2CCC[C@H]2CCC2CCCCC2)o1 ZINC000135297683 1125523668 /nfs/dbraw/zinc/52/36/68/1125523668.db2.gz XGAUSYZHOWVVMX-HNNXBMFYSA-N 0 1 277.412 3.703 20 0 CHADMN CCCN(C(=O)c1ccn[nH]1)[C@@H](C)c1cc2ccccc2o1 ZINC000053371992 1125523815 /nfs/dbraw/zinc/52/38/15/1125523815.db2.gz NOVXRCYNAAOTNF-LBPRGKRZSA-N 0 1 297.358 3.769 20 0 CHADMN Cc1occc1CN(C)Cc1cc(F)cc2cccnc21 ZINC000055054790 1125530988 /nfs/dbraw/zinc/53/09/88/1125530988.db2.gz DFDGMGKABGPNFU-UHFFFAOYSA-N 0 1 284.334 3.907 20 0 CHADMN CC(C)(C)[C@@H]1CCCC[C@@H]1NCc1nnc(C2CC2)o1 ZINC000532701185 1125534106 /nfs/dbraw/zinc/53/41/06/1125534106.db2.gz IQKLRTUUPIMGAV-OLZOCXBDSA-N 0 1 277.412 3.642 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cncc(F)c2)ccc1F ZINC000119411218 1125535072 /nfs/dbraw/zinc/53/50/72/1125535072.db2.gz FPAGKARFRBKKLX-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN CN(Cc1nccn1C(F)F)C[C@H]1CCCC(C)(C)C1 ZINC000536629642 1125537884 /nfs/dbraw/zinc/53/78/84/1125537884.db2.gz YVBBMIIAHCDQFJ-LBPRGKRZSA-N 0 1 285.382 3.926 20 0 CHADMN Cc1oc(-c2ccccc2)nc1CN(C)[C@H]1CCSC1 ZINC000119984824 1125540472 /nfs/dbraw/zinc/54/04/72/1125540472.db2.gz ZPYUYYXKKZWUCS-AWEZNQCLSA-N 0 1 288.416 3.587 20 0 CHADMN Cc1cccnc1[C@@H](N[C@H](C)c1cncc(F)c1)C(C)C ZINC000120611374 1125549103 /nfs/dbraw/zinc/54/91/03/1125549103.db2.gz AQNVDOZLLKRMSF-CJNGLKHVSA-N 0 1 287.382 3.972 20 0 CHADMN [O-]c1cccc(C[NH2+]C2CCCCCC2)c1Cl ZINC000393224296 1125553219 /nfs/dbraw/zinc/55/32/19/1125553219.db2.gz DFRUICHMWHOFSU-UHFFFAOYSA-N 0 1 253.773 3.858 20 0 CHADMN Cc1ccc2nc(CN(C)Cc3cccc(O)c3)ccc2c1 ZINC001137209735 1125564478 /nfs/dbraw/zinc/56/44/78/1125564478.db2.gz QVURCRCUDHUEMS-UHFFFAOYSA-N 0 1 292.382 3.881 20 0 CHADMN Cc1ccc(CNCc2nc(-c3ccccc3)c[nH]2)s1 ZINC000237794514 1125567617 /nfs/dbraw/zinc/56/76/17/1125567617.db2.gz ICFVCRKCDGOFHS-UHFFFAOYSA-N 0 1 283.400 3.736 20 0 CHADMN Cc1ccc2nc(CN3CCCC[C@H](F)C3)ccc2c1 ZINC001137210939 1125569829 /nfs/dbraw/zinc/56/98/29/1125569829.db2.gz HYOMBWKVIUBPFM-HNNXBMFYSA-N 0 1 272.367 3.867 20 0 CHADMN CO[C@H](C)c1nc(CN2CCC[C@H]2C2CCC2)cs1 ZINC000245468654 1125572853 /nfs/dbraw/zinc/57/28/53/1125572853.db2.gz KXVZIOHRVYPBJK-RISCZKNCSA-N 0 1 280.437 3.615 20 0 CHADMN COC(=O)[C@@H](CC(C)C)N1CCC[C@@H]1c1ccc(C)s1 ZINC000509670364 1125574174 /nfs/dbraw/zinc/57/41/74/1125574174.db2.gz ZTQRLCIIRHMPMX-ZIAGYGMSSA-N 0 1 295.448 3.781 20 0 CHADMN OCCN(Cc1ccccc1F)[C@@H]1CCCc2ccccc21 ZINC000532728148 1125576487 /nfs/dbraw/zinc/57/64/87/1125576487.db2.gz WCGDPBOGQSZSNH-LJQANCHMSA-N 0 1 299.389 3.698 20 0 CHADMN C[C@H](c1ccco1)N(Cc1cccc(F)c1N)C1CC1 ZINC000637971741 1129239582 /nfs/dbraw/zinc/23/95/82/1129239582.db2.gz PFFJVEJZULOSIX-LLVKDONJSA-N 0 1 274.339 3.727 20 0 CHADMN Cc1cccc(NC[C@@]2(C)CCOC3(CCC3)C2)n1 ZINC000884702538 1125589216 /nfs/dbraw/zinc/58/92/16/1125589216.db2.gz FWXDDYHMMULRJP-HNNXBMFYSA-N 0 1 260.381 3.541 20 0 CHADMN Cc1cccc(CN(C)[C@@H](C)C(=O)Nc2cccc(C)c2)c1 ZINC000532922164 1125590424 /nfs/dbraw/zinc/59/04/24/1125590424.db2.gz TVNMKKJXAPONFW-INIZCTEOSA-N 0 1 296.414 3.762 20 0 CHADMN CC[C@@H]1CN(CCCC2CCCCC2)C[C@H](C)[S@@]1=O ZINC000348550234 1125591262 /nfs/dbraw/zinc/59/12/62/1125591262.db2.gz SNZJBNQMFLSXAK-GMBSWORKSA-N 0 1 285.497 3.578 20 0 CHADMN CCn1cc(CN2CC[C@H](C)[C@H]2c2cccc(F)c2)cn1 ZINC000245705262 1125591305 /nfs/dbraw/zinc/59/13/05/1125591305.db2.gz DZEWCDWLIJWAHV-GUYCJALGSA-N 0 1 287.382 3.625 20 0 CHADMN CSc1ccc(Cl)cc1CN1CCC2(CCO2)CC1 ZINC001238678719 1131230977 /nfs/dbraw/zinc/23/09/77/1131230977.db2.gz XMABYTPIFQDRRZ-UHFFFAOYSA-N 0 1 297.851 3.817 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H](C)c1cnn(C2CCC2)c1 ZINC000925291592 1125610908 /nfs/dbraw/zinc/61/09/08/1125610908.db2.gz COXWROSMIPOHTF-ZIAGYGMSSA-N 0 1 284.407 3.723 20 0 CHADMN CC(C)(O)[C@H]1CCCN1Cc1cc(Cl)ccc1Cl ZINC000533538802 1125614858 /nfs/dbraw/zinc/61/48/58/1125614858.db2.gz NZRQNAPWLLDQQG-CYBMUJFWSA-N 0 1 288.218 3.729 20 0 CHADMN Oc1c(Cl)cccc1NC(=S)NCC1CCCCC1 ZINC000168510051 1125615109 /nfs/dbraw/zinc/61/51/09/1125615109.db2.gz VZMMEKHEZUUXSU-UHFFFAOYSA-N 0 1 298.839 3.912 20 0 CHADMN CC[C@H](C)c1cccc(NC(=O)NCc2cn[nH]c2C)c1 ZINC000626649967 1125616401 /nfs/dbraw/zinc/61/64/01/1125616401.db2.gz QZUPDRKBKIDAPZ-NSHDSACASA-N 0 1 286.379 3.553 20 0 CHADMN CSC[C@H]1CCCN1Cc1cc(-c2ccccc2)on1 ZINC000348352637 1125618339 /nfs/dbraw/zinc/61/83/39/1125618339.db2.gz LDQQCXKWRPQQSI-OAHLLOKOSA-N 0 1 288.416 3.669 20 0 CHADMN CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccncc2)cc1 ZINC000067715554 1125625817 /nfs/dbraw/zinc/62/58/17/1125625817.db2.gz AVASRMPWFYVFLS-AWEZNQCLSA-N 0 1 270.376 3.673 20 0 CHADMN Cc1[nH]nc(CNc2ccc(N3CCCC3)cc2C)c1C ZINC000885929497 1125627113 /nfs/dbraw/zinc/62/71/13/1125627113.db2.gz QYUJRKYTQSZGCP-UHFFFAOYSA-N 0 1 284.407 3.547 20 0 CHADMN CC[C@@H](C)Oc1ccc(NCc2n[nH]c(C)c2C)cc1 ZINC000885940071 1125629035 /nfs/dbraw/zinc/62/90/35/1125629035.db2.gz AFVYVYIQMDGTDN-LLVKDONJSA-N 0 1 273.380 3.816 20 0 CHADMN Cc1ccsc1CNCc1cc(F)ccc1F ZINC000069673287 1125630722 /nfs/dbraw/zinc/63/07/22/1125630722.db2.gz ICESDBYMRLSLKB-UHFFFAOYSA-N 0 1 253.317 3.625 20 0 CHADMN C[C@H](c1ccco1)N(C)C[C@@H]1CCC2(CCC2)CO1 ZINC000885967209 1125631471 /nfs/dbraw/zinc/63/14/71/1125631471.db2.gz KASUOISVEUCPND-KGLIPLIRSA-N 0 1 263.381 3.622 20 0 CHADMN CC1CCC([N@@H+](C)Cc2nccn2Cc2ccccc2)CC1 ZINC000071952140 1125633753 /nfs/dbraw/zinc/63/37/53/1125633753.db2.gz NSWAXALKPQVCHO-UHFFFAOYSA-N 0 1 297.446 3.942 20 0 CHADMN CC1CCC(N(C)Cc2nccn2Cc2ccccc2)CC1 ZINC000071952140 1125633756 /nfs/dbraw/zinc/63/37/56/1125633756.db2.gz NSWAXALKPQVCHO-UHFFFAOYSA-N 0 1 297.446 3.942 20 0 CHADMN CCSc1cccc(NC(=O)[C@H]2CCCCN2CC)c1 ZINC000072874999 1125637085 /nfs/dbraw/zinc/63/70/85/1125637085.db2.gz SWAUNGVSLDOTRT-OAHLLOKOSA-N 0 1 292.448 3.612 20 0 CHADMN COCCN(Cc1coc(-c2cccs2)n1)CC(C)C ZINC000073616874 1125638076 /nfs/dbraw/zinc/63/80/76/1125638076.db2.gz AZUYNKZDAZPOQM-UHFFFAOYSA-N 0 1 294.420 3.508 20 0 CHADMN C[C@@H]1CCC[C@H](N(C)Cc2nccn2Cc2ccccc2)C1 ZINC000073620132 1125638117 /nfs/dbraw/zinc/63/81/17/1125638117.db2.gz CIRNMTWZBOAGHH-AEFFLSMTSA-N 0 1 297.446 3.942 20 0 CHADMN Cc1[nH]nc(CNc2ccc3nc(C4CC4)oc3c2)c1C ZINC000886039828 1125639145 /nfs/dbraw/zinc/63/91/45/1125639145.db2.gz PZIHHMJVNFBGBF-UHFFFAOYSA-N 0 1 282.347 3.657 20 0 CHADMN Cc1cc(CNCc2ccco2)ccc1Br ZINC000073852372 1125639234 /nfs/dbraw/zinc/63/92/34/1125639234.db2.gz FWUZMTNQRQJAIS-UHFFFAOYSA-N 0 1 280.165 3.640 20 0 CHADMN c1c[nH]c([C@@H]2CCC[N@@H+]2CCOC2CCCCC2)c1 ZINC000886049466 1125640519 /nfs/dbraw/zinc/64/05/19/1125640519.db2.gz MZKNYHLMGXOAMP-INIZCTEOSA-N 0 1 262.397 3.501 20 0 CHADMN COCCN(CCSc1ccccc1)Cc1ccco1 ZINC000074349000 1125641047 /nfs/dbraw/zinc/64/10/47/1125641047.db2.gz QKUFGOZTLZROOH-UHFFFAOYSA-N 0 1 291.416 3.520 20 0 CHADMN CO[C@H](c1ccccc1F)[C@@H](C)NCc1cc(C)co1 ZINC000886057595 1125642038 /nfs/dbraw/zinc/64/20/38/1125642038.db2.gz RFIWNUNZOKOZQF-WBMJQRKESA-N 0 1 277.339 3.593 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3ccc(Cl)cc3)c2[nH]1 ZINC000074732634 1125643054 /nfs/dbraw/zinc/64/30/54/1125643054.db2.gz JXFOFZLBBMFERA-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN Cc1csc(C(C)(C)NCCOC2CCCCC2)n1 ZINC000886066596 1125643426 /nfs/dbraw/zinc/64/34/26/1125643426.db2.gz AVQSAOTVQMPDGN-UHFFFAOYSA-N 0 1 282.453 3.626 20 0 CHADMN CSCc1cccc(CNCc2cc(C)co2)c1 ZINC000886081647 1125644295 /nfs/dbraw/zinc/64/42/95/1125644295.db2.gz VDAQEEDNKPAEIH-UHFFFAOYSA-N 0 1 261.390 3.741 20 0 CHADMN Cc1ccc(-c2nnc(CN3[C@H](C)CCC[C@@H]3C)o2)cc1 ZINC000075020979 1125644324 /nfs/dbraw/zinc/64/43/24/1125644324.db2.gz AMERNNDUZQOEST-OKILXGFUSA-N 0 1 285.391 3.808 20 0 CHADMN CC[C@@](C)(NCCOC1CCCCC1)c1nccs1 ZINC000886069743 1125644894 /nfs/dbraw/zinc/64/48/94/1125644894.db2.gz KJCJAWNKTOCHIQ-OAHLLOKOSA-N 0 1 282.453 3.707 20 0 CHADMN FC(F)(F)SCCNC1(c2nccs2)CCCC1 ZINC000886073638 1125644969 /nfs/dbraw/zinc/64/49/69/1125644969.db2.gz XHXHKIUCQKFSPF-UHFFFAOYSA-N 0 1 296.383 3.755 20 0 CHADMN CC(C)c1ncc(CN2CC(C)(C)C2(C)C)s1 ZINC000093507733 1125646551 /nfs/dbraw/zinc/64/65/51/1125646551.db2.gz GLIPFTCRXNQZFD-UHFFFAOYSA-N 0 1 252.427 3.887 20 0 CHADMN CC[C@H](NCc1cc(C)co1)c1ccc(OC)c(OC)c1 ZINC000886114660 1125651278 /nfs/dbraw/zinc/65/12/78/1125651278.db2.gz UICXXGNVOOVTMA-HNNXBMFYSA-N 0 1 289.375 3.846 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1Cc1nc([C@H](C)OCC)no1 ZINC000246821207 1125648706 /nfs/dbraw/zinc/64/87/06/1125648706.db2.gz JVQJIVMOEUGTDZ-IHRRRGAJSA-N 0 1 295.427 3.568 20 0 CHADMN Cc1coc(CN[C@H]2CCCc3ccc(F)cc32)c1 ZINC000886099930 1125649337 /nfs/dbraw/zinc/64/93/37/1125649337.db2.gz AAKLCKOJHQDJNK-INIZCTEOSA-N 0 1 259.324 3.894 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccsc2)c(F)c1OC ZINC000886107161 1125650615 /nfs/dbraw/zinc/65/06/15/1125650615.db2.gz MICTXLLWBXNJRH-JTQLQIEISA-N 0 1 295.379 3.755 20 0 CHADMN CCCN(Cc1nccs1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000246833199 1125650701 /nfs/dbraw/zinc/65/07/01/1125650701.db2.gz OHXBZDGIGMGHLN-CHWSQXEVSA-N 0 1 282.453 3.559 20 0 CHADMN CC[C@H](NC[C@@H]1CCC2(CCC2)CO1)c1nc(C)cs1 ZINC000886125347 1125652600 /nfs/dbraw/zinc/65/26/00/1125652600.db2.gz OZDDJWFGQFUYKX-KBPBESRZSA-N 0 1 294.464 3.842 20 0 CHADMN Cc1cnc(C(C)(C)NCCOC2CCCCC2)s1 ZINC000886129509 1125654137 /nfs/dbraw/zinc/65/41/37/1125654137.db2.gz HIBYEGNCDZCAJL-UHFFFAOYSA-N 0 1 282.453 3.626 20 0 CHADMN CCC[N@@H+](Cc1nc(C)c(C)o1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000247169467 1125655200 /nfs/dbraw/zinc/65/52/00/1125655200.db2.gz ZZUYZPGQLSWRCQ-HUUCEWRRSA-N 0 1 294.439 3.707 20 0 CHADMN CCCN(Cc1nc(C)c(C)o1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000247169467 1125655202 /nfs/dbraw/zinc/65/52/02/1125655202.db2.gz ZZUYZPGQLSWRCQ-HUUCEWRRSA-N 0 1 294.439 3.707 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccoc1 ZINC000247182544 1125655437 /nfs/dbraw/zinc/65/54/37/1125655437.db2.gz ZGLNVTNYRVCPTL-IAOVAPTHSA-N 0 1 271.360 3.851 20 0 CHADMN CSCCCN1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000075784829 1125656623 /nfs/dbraw/zinc/65/66/23/1125656623.db2.gz ZRJQJCQGTMNZST-ZBFHGGJFSA-N 0 1 279.449 3.510 20 0 CHADMN Cc1coc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000886173359 1125658428 /nfs/dbraw/zinc/65/84/28/1125658428.db2.gz NIOYLKOIDPPYJG-CVEARBPZSA-N 0 1 291.778 3.861 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCN1CCSC(F)(F)F ZINC000886181538 1125660023 /nfs/dbraw/zinc/66/00/23/1125660023.db2.gz NTZIGRXFARPNBA-RNFRBKRXSA-N 0 1 281.265 3.512 20 0 CHADMN CCS[C@@H](C)c1noc(CN(CC)[C@H](C)C(C)C)n1 ZINC000248006843 1125661145 /nfs/dbraw/zinc/66/11/45/1125661145.db2.gz KXQSSPJQCZRHJO-NEPJUHHUSA-N 0 1 285.457 3.750 20 0 CHADMN FC(F)(F)SCCN1CCC[C@H](c2ccncc2)C1 ZINC000886204824 1125661785 /nfs/dbraw/zinc/66/17/85/1125661785.db2.gz RCFRAENUVCJHGR-LBPRGKRZSA-N 0 1 290.354 3.514 20 0 CHADMN CCS[C@H](C)c1noc(CN(C)[C@@H]2CCC[C@@H](C)C2)n1 ZINC000248120022 1125661818 /nfs/dbraw/zinc/66/18/18/1125661818.db2.gz NFCGQCRYDWWTKH-JHJVBQTASA-N 0 1 297.468 3.894 20 0 CHADMN C[C@H](CC1CCCCC1)CN1CCC[C@H]1c1nncn1C ZINC000248605164 1125671430 /nfs/dbraw/zinc/67/14/30/1125671430.db2.gz JUBJMRYDVVHZEH-ZBFHGGJFSA-N 0 1 290.455 3.559 20 0 CHADMN CC[C@H]1CN(Cc2ccc(C(F)F)cc2)C[C@@H](C)O1 ZINC000248398462 1125667069 /nfs/dbraw/zinc/66/70/69/1125667069.db2.gz UDBHYSQZDRDGTC-RISCZKNCSA-N 0 1 269.335 3.624 20 0 CHADMN Cc1ccc(CN2CCS[C@H]3CCCC[C@H]32)c(C)n1 ZINC000248538980 1125667834 /nfs/dbraw/zinc/66/78/34/1125667834.db2.gz AIAMQDZDCXQROY-CVEARBPZSA-N 0 1 276.449 3.558 20 0 CHADMN Cc1cncc([C@H]2CCCN2CCSC(F)(F)F)c1 ZINC000886310619 1125668608 /nfs/dbraw/zinc/66/86/08/1125668608.db2.gz PYSPUIZSGUDEHP-GFCCVEGCSA-N 0 1 290.354 3.780 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1C[C@@H](C)CC[C@@H]1C ZINC000076149907 1125670068 /nfs/dbraw/zinc/67/00/68/1125670068.db2.gz ABGMHIXSJHNSKU-ZFWWWQNUSA-N 0 1 288.435 3.616 20 0 CHADMN CCO[C@@H](C)c1nc(CN2CCCC[C@@H](C)C2)cs1 ZINC000248579778 1125670106 /nfs/dbraw/zinc/67/01/06/1125670106.db2.gz VJTAXFBAHKGQTB-OLZOCXBDSA-N 0 1 282.453 3.863 20 0 CHADMN Cc1ccc2nc(N)n(-c3cccc(OC(F)F)c3)c2c1 ZINC001212053572 1125672033 /nfs/dbraw/zinc/67/20/33/1125672033.db2.gz AAKPLCYBEUVBKW-UHFFFAOYSA-N 0 1 289.285 3.518 20 0 CHADMN CC(C)n1cc(Cl)c(NCc2ccc3nc[nH]c3c2)n1 ZINC000886367217 1125673985 /nfs/dbraw/zinc/67/39/85/1125673985.db2.gz PQROCUFMXDOVLY-UHFFFAOYSA-N 0 1 289.770 3.606 20 0 CHADMN CC(C)n1cc(Cl)c(NCc2[nH]nc3ccccc32)n1 ZINC000886367195 1125674499 /nfs/dbraw/zinc/67/44/99/1125674499.db2.gz NYRXDMQLCCDWDA-UHFFFAOYSA-N 0 1 289.770 3.606 20 0 CHADMN CCOC(=O)c1csc([C@@H]2CCCN2C[C@@H](C)CC)n1 ZINC000248880745 1125675794 /nfs/dbraw/zinc/67/57/94/1125675794.db2.gz PEKWAEAEVBSNGW-AAEUAGOBSA-N 0 1 296.436 3.503 20 0 CHADMN C[C@@H]1CC[C@@H](N[C@H](CCO)c2ccco2)c2ccccc21 ZINC000249059505 1125679008 /nfs/dbraw/zinc/67/90/08/1125679008.db2.gz YEELRKHEWDXWLE-KBRIMQKVSA-N 0 1 285.387 3.931 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2nc(C3CC3)no2)C1 ZINC000076386182 1125679390 /nfs/dbraw/zinc/67/93/90/1125679390.db2.gz WYHAJNUZJNBOTN-UKRRQHHQSA-N 0 1 297.402 3.633 20 0 CHADMN CCCOc1ccc(CN[C@@H]2CCc3cccnc32)cc1 ZINC000886506180 1125681053 /nfs/dbraw/zinc/68/10/53/1125681053.db2.gz FTMVLXUWWMSWAG-QGZVFWFLSA-N 0 1 282.387 3.648 20 0 CHADMN CC(C)[C@@H](NCc1cc2ccccc2o1)c1cnn(C)c1 ZINC000886510075 1125681776 /nfs/dbraw/zinc/68/17/76/1125681776.db2.gz SLIQSZJRSYFZMC-QGZVFWFLSA-N 0 1 283.375 3.653 20 0 CHADMN CCCCc1noc([C@H](C)N2CCC[C@@H](C)CC2)n1 ZINC000249832685 1125682604 /nfs/dbraw/zinc/68/26/04/1125682604.db2.gz PRMXCHGTQUHRDT-OLZOCXBDSA-N 0 1 265.401 3.595 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2Cc2cccc(F)c2)cs1 ZINC000076720466 1125684226 /nfs/dbraw/zinc/68/42/26/1125684226.db2.gz NLRMGWJEMWTXCW-MRXNPFEDSA-N 0 1 290.407 3.798 20 0 CHADMN C[C@H](NCCCc1cccc(C(F)(F)F)c1)c1ncco1 ZINC000886539011 1125685160 /nfs/dbraw/zinc/68/51/60/1125685160.db2.gz RJUORYOBRJJFJN-NSHDSACASA-N 0 1 298.308 3.977 20 0 CHADMN CO[C@H]1CCC[C@H](Nc2ccc(CN(C)C)c(F)c2)CC1 ZINC000886585677 1125693862 /nfs/dbraw/zinc/69/38/62/1125693862.db2.gz DBHUOVBPYYSQHJ-HOCLYGCPSA-N 0 1 294.414 3.647 20 0 CHADMN Cc1oc2ccccc2c1CN[C@H]1CCc2cccnc21 ZINC000886592357 1125695308 /nfs/dbraw/zinc/69/53/08/1125695308.db2.gz QWFCRMFUYGMOGH-INIZCTEOSA-N 0 1 278.355 3.913 20 0 CHADMN CC(C)[C@H](NCc1ccc(Cl)cc1F)c1cnn(C)c1 ZINC000886594324 1125695715 /nfs/dbraw/zinc/69/57/15/1125695715.db2.gz JZKLOLRNECWERD-HNNXBMFYSA-N 0 1 295.789 3.700 20 0 CHADMN CC(F)(F)c1ccc(CN[C@H]2CCc3cccnc32)cc1 ZINC000886614492 1125697961 /nfs/dbraw/zinc/69/79/61/1125697961.db2.gz YPHOSKCLEWUQFQ-HNNXBMFYSA-N 0 1 288.341 3.970 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(CC(C)C)cc2)n(C)n1 ZINC000284501725 1125697605 /nfs/dbraw/zinc/69/76/05/1125697605.db2.gz VSMSPKCPOFXJCT-OAHLLOKOSA-N 0 1 285.435 3.778 20 0 CHADMN CC(C)[C@H](NCc1ncc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000067696805 1125702404 /nfs/dbraw/zinc/70/24/04/1125702404.db2.gz OGFWBDDBMHAESD-AWEZNQCLSA-N 0 1 297.324 3.915 20 0 CHADMN Clc1ccccc1CN1CCC[C@H](c2ncccn2)C1 ZINC000886674343 1125705205 /nfs/dbraw/zinc/70/52/05/1125705205.db2.gz JVIHEVDXSPDLPY-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1ccsc1[C@H](C)NCc1cc(C2CC2)no1 ZINC000886682215 1125706517 /nfs/dbraw/zinc/70/65/17/1125706517.db2.gz BPOGJOJMNLRKHG-JTQLQIEISA-N 0 1 262.378 3.773 20 0 CHADMN CC(C)OC(=O)C1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000886722193 1125712525 /nfs/dbraw/zinc/71/25/25/1125712525.db2.gz XYRZSEIOHPHPNO-ZDUSSCGKSA-N 0 1 293.382 3.550 20 0 CHADMN CC(C)OC(=O)C1CCN([C@@H](C)c2ccccc2F)CC1 ZINC000886721641 1125712916 /nfs/dbraw/zinc/71/29/16/1125712916.db2.gz FXRSJBRADJPYMC-ZDUSSCGKSA-N 0 1 293.382 3.550 20 0 CHADMN CC[C@@H](N[C@H](C)c1nncn1C)c1cccc2ccccc21 ZINC000886919852 1125724202 /nfs/dbraw/zinc/72/42/02/1125724202.db2.gz YHPMGOFVTSYDHS-CXAGYDPISA-N 0 1 294.402 3.770 20 0 CHADMN CC[C@H](NCc1nnc(C)[nH]1)c1cccc2ccccc21 ZINC000886919733 1125724455 /nfs/dbraw/zinc/72/44/55/1125724455.db2.gz SVSNXPWZQQVFQO-INIZCTEOSA-N 0 1 280.375 3.507 20 0 CHADMN CC(C)Sc1ccccc1-c1nc(C2(N)CCC2)no1 ZINC000261662250 1125737418 /nfs/dbraw/zinc/73/74/18/1125737418.db2.gz FSMWYZPCTHUHHM-UHFFFAOYSA-N 0 1 289.404 3.575 20 0 CHADMN C[C@@H](CN[C@@H](C)c1nccs1)Oc1ccccc1Cl ZINC000090116812 1125739316 /nfs/dbraw/zinc/73/93/16/1125739316.db2.gz KBMACGZMBOOOKO-QWRGUYRKSA-N 0 1 296.823 3.915 20 0 CHADMN CC[C@H](CN[C@H](C)c1nccs1)Oc1ccccc1C ZINC000090218905 1125741178 /nfs/dbraw/zinc/74/11/78/1125741178.db2.gz NMTXOEPGHAIGGS-ZIAGYGMSSA-N 0 1 290.432 3.960 20 0 CHADMN C[C@@H](c1cc2ccccc2o1)N(C)Cc1cnc(N)s1 ZINC000261763701 1125743431 /nfs/dbraw/zinc/74/34/31/1125743431.db2.gz LSNNKZKVPDHVJY-JTQLQIEISA-N 0 1 287.388 3.665 20 0 CHADMN COc1ccccc1[C@@H](N[C@H](C)C(C)C)c1ccccn1 ZINC000090913598 1125746509 /nfs/dbraw/zinc/74/65/09/1125746509.db2.gz XUOXRXBZKFPBKX-RDTXWAMCSA-N 0 1 284.403 3.814 20 0 CHADMN C[C@H](NCc1cccnc1OCC(F)F)c1cccs1 ZINC000090942466 1125746895 /nfs/dbraw/zinc/74/68/95/1125746895.db2.gz IAXYMWAHMIPKHO-JTQLQIEISA-N 0 1 298.358 3.638 20 0 CHADMN CC[C@H](C)N[C@H](c1ccccn1)c1ccccc1OC ZINC000090913051 1125747093 /nfs/dbraw/zinc/74/70/93/1125747093.db2.gz YHOTYQLAHBSXQG-GUYCJALGSA-N 0 1 270.376 3.568 20 0 CHADMN CC[C@@H](CN[C@@H](C)c1nccs1)Oc1ccccc1F ZINC000091733265 1125751546 /nfs/dbraw/zinc/75/15/46/1125751546.db2.gz MHNGQBXXMPYBPZ-RYUDHWBXSA-N 0 1 294.395 3.790 20 0 CHADMN Fc1cccc([C@@H]2CCN(Cc3cnccc3Cl)C2)c1 ZINC001137237937 1125753488 /nfs/dbraw/zinc/75/34/88/1125753488.db2.gz LTVUOHATCGJVAD-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN C[C@H](NC1(C2CC2)CCC1)c1nc(-c2cccs2)no1 ZINC000887144940 1125754614 /nfs/dbraw/zinc/75/46/14/1125754614.db2.gz GVOLHBQUYWQEQB-JTQLQIEISA-N 0 1 289.404 3.781 20 0 CHADMN COCCc1nc(C)c([C@H](C)NCc2ccsc2)s1 ZINC000092739094 1125760679 /nfs/dbraw/zinc/76/06/79/1125760679.db2.gz RZGGRTZANGAYSI-JTQLQIEISA-N 0 1 296.461 3.553 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2sc(C)nc2C)cc1 ZINC000093275556 1125765705 /nfs/dbraw/zinc/76/57/05/1125765705.db2.gz DVSQLZLEYSMTDS-GFCCVEGCSA-N 0 1 290.432 3.962 20 0 CHADMN Cc1nc(-c2cc3c(s2)CCN(CCCF)C3)cs1 ZINC000093259411 1125766896 /nfs/dbraw/zinc/76/68/96/1125766896.db2.gz AVFJRJMZDJNALF-UHFFFAOYSA-N 0 1 296.436 3.898 20 0 CHADMN CCc1nc(C)c([C@@H](C)N(C)Cc2cccc(O)c2)s1 ZINC000093612578 1125771662 /nfs/dbraw/zinc/77/16/62/1125771662.db2.gz NESCPISAYHAOAJ-GFCCVEGCSA-N 0 1 290.432 3.913 20 0 CHADMN c1coc(CN[C@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000121766956 1125778608 /nfs/dbraw/zinc/77/86/08/1125778608.db2.gz YDJQUABVSMTHTA-KRWDZBQOSA-N 0 1 283.371 3.772 20 0 CHADMN CN(C(=O)c1cc(-c2cccs2)[nH]n1)C1(C)CCCC1 ZINC000428661738 1125785684 /nfs/dbraw/zinc/78/56/84/1125785684.db2.gz VUAGGTXOZCNFPT-UHFFFAOYSA-N 0 1 289.404 3.543 20 0 CHADMN C[C@@H](c1ncc(-c2ccccc2)o1)N1CCCCC1 ZINC000122379416 1125786641 /nfs/dbraw/zinc/78/66/41/1125786641.db2.gz XAKGZGANXBCIPC-ZDUSSCGKSA-N 0 1 256.349 3.889 20 0 CHADMN C[C@@H]1CCN(Cc2csc(-c3ccccn3)n2)C[C@@H]1C ZINC000122463941 1125787571 /nfs/dbraw/zinc/78/75/71/1125787571.db2.gz HIKUQNMCLDNNPK-OLZOCXBDSA-N 0 1 287.432 3.683 20 0 CHADMN CC(C)[C@H]1CN(Cc2ccc(C(F)F)nc2)CCS1 ZINC000638155638 1129245624 /nfs/dbraw/zinc/24/56/24/1129245624.db2.gz FFNYUBRKZGSBJJ-CYBMUJFWSA-N 0 1 286.391 3.593 20 0 CHADMN CCO[C@H]1CCCN(Cc2ccc(F)cc2OC(C)C)C1 ZINC001238697911 1131232181 /nfs/dbraw/zinc/23/21/81/1131232181.db2.gz UTNMMSBSMLSMFP-INIZCTEOSA-N 0 1 295.398 3.614 20 0 CHADMN COC[C@H]1CCCCN1Cc1ccc(F)cc1OC(C)C ZINC001238696156 1131232196 /nfs/dbraw/zinc/23/21/96/1131232196.db2.gz VDUFRBGOCFKVIA-MRXNPFEDSA-N 0 1 295.398 3.614 20 0 CHADMN CCCO[C@H]1CCN(Cc2ccc(F)cc2OC(C)C)C1 ZINC001238696867 1131232225 /nfs/dbraw/zinc/23/22/25/1131232225.db2.gz LVGWSXSHYPPSQR-INIZCTEOSA-N 0 1 295.398 3.614 20 0 CHADMN CCOc1cccc(CN2CC[C@@H](C)C2)c1Br ZINC001238689992 1131233013 /nfs/dbraw/zinc/23/30/13/1131233013.db2.gz RHMPCLDHIXFMTO-LLVKDONJSA-N 0 1 298.224 3.690 20 0 CHADMN Cc1cc(C)cc(CNCc2cnc(Cl)s2)c1 ZINC000718199316 1129257924 /nfs/dbraw/zinc/25/79/24/1129257924.db2.gz COTNTNPBALGLIB-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN CC[C@H](C)[C@@H](CN1CCC[C@@H]1c1csc(C)n1)OC ZINC000639060337 1129279150 /nfs/dbraw/zinc/27/91/50/1129279150.db2.gz OCVYPZWXLQQDQT-NILFDRSVSA-N 0 1 282.453 3.650 20 0 CHADMN Cc1cnccc1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000648378012 1129604338 /nfs/dbraw/zinc/60/43/38/1129604338.db2.gz BIIBSCVLNLGANX-UHFFFAOYSA-N 0 1 276.449 3.642 20 0 CHADMN Cc1cscc1CN[C@H](C)c1cnc(C)s1 ZINC000390605681 1129658036 /nfs/dbraw/zinc/65/80/36/1129658036.db2.gz CQEYCRQZDIKSOG-SECBINFHSA-N 0 1 252.408 3.672 20 0 CHADMN CSc1ncc(C)cc1CN1CCc2ccccc2C1 ZINC001238712195 1131235571 /nfs/dbraw/zinc/23/55/71/1131235571.db2.gz HUQRMVYZZRJFMA-UHFFFAOYSA-N 0 1 284.428 3.670 20 0 CHADMN CCOc1ccc(C)c(CN2CCC[C@H]2c2cnccn2)c1 ZINC001238709301 1131236086 /nfs/dbraw/zinc/23/60/86/1131236086.db2.gz UVDKJVKLENUBOZ-SFHVURJKSA-N 0 1 297.402 3.521 20 0 CHADMN CC(C)COc1ccccc1CN1CCC(F)(F)CC1 ZINC000796541611 1129777036 /nfs/dbraw/zinc/77/70/36/1129777036.db2.gz VMGGHQFCTIPMCE-UHFFFAOYSA-N 0 1 283.362 3.953 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1cscc1C ZINC000786927701 1130123088 /nfs/dbraw/zinc/12/30/88/1130123088.db2.gz QEGNKQZPSWTRKB-JTQLQIEISA-N 0 1 264.394 3.766 20 0 CHADMN C[C@@H](N[C@H](C)c1ccncc1F)c1cccc(F)c1 ZINC000338007759 1126708788 /nfs/dbraw/zinc/70/87/88/1126708788.db2.gz BUUAYFFHFLBURR-GHMZBOCLSA-N 0 1 262.303 3.772 20 0 CHADMN CC(C)C[C@H]1OCCC[C@@H]1NCc1c(F)cccc1F ZINC000481718043 1126708856 /nfs/dbraw/zinc/70/88/56/1126708856.db2.gz PBTRIKXHIDDOTR-JKSUJKDBSA-N 0 1 283.362 3.648 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)cc1)c1ccncc1F ZINC000338008624 1126709027 /nfs/dbraw/zinc/70/90/27/1126709027.db2.gz QWHIJNAJONEONM-WDEREUQCSA-N 0 1 262.303 3.772 20 0 CHADMN C[C@H](N[C@@H](C)c1ccncc1F)c1ccc2c(c1)COC2 ZINC000338014283 1126710748 /nfs/dbraw/zinc/71/07/48/1126710748.db2.gz SNVMKMHAGZWWSV-RYUDHWBXSA-N 0 1 286.350 3.663 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H](CO)CC2CCCC2)cs1 ZINC000338021484 1126711977 /nfs/dbraw/zinc/71/19/77/1126711977.db2.gz UVNGGDSDODOAHZ-JSGCOSHPSA-N 0 1 296.480 3.858 20 0 CHADMN COc1ncc(CN(C)Cc2sccc2C)cc1Cl ZINC000555961960 1126716914 /nfs/dbraw/zinc/71/69/14/1126716914.db2.gz HIRMYJJULVCGGO-UHFFFAOYSA-N 0 1 296.823 3.746 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1Cc1csc(NC(C)=O)n1 ZINC000135347386 1126717151 /nfs/dbraw/zinc/71/71/51/1126717151.db2.gz DMXRMJPTOZJYKE-BXUZGUMPSA-N 0 1 295.452 3.502 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@H](C)c1ccncc1F ZINC000338024558 1126712548 /nfs/dbraw/zinc/71/25/48/1126712548.db2.gz UJAJZNDSOIRBII-BDJLRTHQSA-N 0 1 286.350 3.567 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@H](C)c1ccncc1F)CC2 ZINC000338026930 1126712807 /nfs/dbraw/zinc/71/28/07/1126712807.db2.gz LEWXCJQZDSOHSF-PIGZYNQJSA-N 0 1 286.350 3.567 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1C[C@H](C)OC2(CCC2)C1 ZINC000567810757 1126719194 /nfs/dbraw/zinc/71/91/94/1126719194.db2.gz FUJGTPNVYYIICI-QWHCGFSZSA-N 0 1 263.356 3.530 20 0 CHADMN COc1ccc(CN(Cc2ccccc2C)C2CC2)nc1 ZINC000338235410 1126726617 /nfs/dbraw/zinc/72/66/17/1126726617.db2.gz PDTBLHQYHCEUHI-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN CCN(Cc1ccc(OC)cn1)[C@H](C)c1ccc(F)cc1 ZINC000338236321 1126726990 /nfs/dbraw/zinc/72/69/90/1126726990.db2.gz UKBCHJVRVCNNEE-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN Cc1ccc(-c2nc(CN3CC[C@@H](C)C3)cs2)o1 ZINC000338257220 1126728011 /nfs/dbraw/zinc/72/80/11/1126728011.db2.gz KLLSJNVTXPSNOW-SNVBAGLBSA-N 0 1 262.378 3.553 20 0 CHADMN C[C@H](C1CCCCC1)N(C)C(=O)c1cccc2n[nH]cc21 ZINC000338332761 1126734540 /nfs/dbraw/zinc/73/45/40/1126734540.db2.gz OKHLICDDJGKFJQ-GFCCVEGCSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1cc2[nH]c(CN3CCC[C@@H]4COCC[C@@H]43)cc2c(C)c1 ZINC000481983735 1126736151 /nfs/dbraw/zinc/73/61/51/1126736151.db2.gz SPHCTIJETBXTFW-BEFAXECRSA-N 0 1 298.430 3.786 20 0 CHADMN Cc1cc2[nH]c(CN3CCC[C@H]4COCC[C@H]43)cc2c(C)c1 ZINC000481983737 1126736251 /nfs/dbraw/zinc/73/62/51/1126736251.db2.gz SPHCTIJETBXTFW-HNAYVOBHSA-N 0 1 298.430 3.786 20 0 CHADMN C[C@H](Cc1ccccc1)CN1CCOCC12CCCC2 ZINC000481980296 1126737323 /nfs/dbraw/zinc/73/73/23/1126737323.db2.gz KTHMBBFUNCOEDN-MRXNPFEDSA-N 0 1 273.420 3.510 20 0 CHADMN Cc1cc2[nH]c(CN(C)Cc3ccc[nH]3)cc2c(C)c1 ZINC000481988730 1126737667 /nfs/dbraw/zinc/73/76/67/1126737667.db2.gz GGUCQMLQNMYYSP-UHFFFAOYSA-N 0 1 267.376 3.745 20 0 CHADMN CC(C)c1nnc(CN(C)[C@@H](C)C2CCCCC2)o1 ZINC000338361560 1126737980 /nfs/dbraw/zinc/73/79/80/1126737980.db2.gz VEICUGBHTIBEIV-LBPRGKRZSA-N 0 1 265.401 3.594 20 0 CHADMN CO[C@H]1CCN(CCCc2c(Cl)cccc2Cl)C1 ZINC000482153984 1126744129 /nfs/dbraw/zinc/74/41/29/1126744129.db2.gz RUWKOTQRAQPGQB-NSHDSACASA-N 0 1 288.218 3.647 20 0 CHADMN CCCCC[C@H](C)NC(=O)CN(C)[C@@H](C)c1ccccc1 ZINC000302735191 1126740639 /nfs/dbraw/zinc/74/06/39/1126740639.db2.gz FWTKUZWMFMJALC-HOTGVXAUSA-N 0 1 290.451 3.764 20 0 CHADMN CCCCC[C@@H](C)NC(=O)CN(C)[C@H](C)c1ccccc1 ZINC000302735192 1126740717 /nfs/dbraw/zinc/74/07/17/1126740717.db2.gz FWTKUZWMFMJALC-HZPDHXFCSA-N 0 1 290.451 3.764 20 0 CHADMN COc1ncccc1CN[C@H](C)c1cccc(C)c1C ZINC000151141246 1126750753 /nfs/dbraw/zinc/75/07/53/1126750753.db2.gz CBINYGABIWEESJ-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1cc2cc([C@H](C)NCc3cnn(C)c3)oc2cc1C ZINC000151147111 1126750843 /nfs/dbraw/zinc/75/08/43/1126750843.db2.gz RGFHBEGVUZAMPX-ZDUSSCGKSA-N 0 1 283.375 3.634 20 0 CHADMN Cc1cccc2[nH]c(C[N@H+]3CCC[C@H](OCC4CC4)C3)cc21 ZINC000668010717 1126751910 /nfs/dbraw/zinc/75/19/10/1126751910.db2.gz FQLHSXOMSSTPMI-KRWDZBQOSA-N 0 1 298.430 3.867 20 0 CHADMN Cc1cccc2[nH]c(CN3CCC[C@H](OCC4CC4)C3)cc21 ZINC000668010717 1126751913 /nfs/dbraw/zinc/75/19/13/1126751913.db2.gz FQLHSXOMSSTPMI-KRWDZBQOSA-N 0 1 298.430 3.867 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccc(F)c(COC)c2)o1 ZINC000151229591 1126752406 /nfs/dbraw/zinc/75/24/06/1126752406.db2.gz DZWGARUJROQRCJ-GFCCVEGCSA-N 0 1 291.366 3.978 20 0 CHADMN CC1=C(C)CN(Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000482459732 1126757240 /nfs/dbraw/zinc/75/72/40/1126757240.db2.gz OFBQYPHQCTTYDN-UHFFFAOYSA-N 0 1 267.376 3.619 20 0 CHADMN COc1ccc(CN2CCC(C)=C(C)C2)cc1Cl ZINC000482462340 1126758512 /nfs/dbraw/zinc/75/85/12/1126758512.db2.gz VUGCOQFAKBEASM-UHFFFAOYSA-N 0 1 265.784 3.891 20 0 CHADMN Fc1cccc(F)c1CN1C2CCCC1CCC2 ZINC000678279749 1130388517 /nfs/dbraw/zinc/38/85/17/1130388517.db2.gz SDYKOWGUWGNTTE-UHFFFAOYSA-N 0 1 251.320 3.872 20 0 CHADMN Clc1cscc1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000678190768 1130367751 /nfs/dbraw/zinc/36/77/51/1130367751.db2.gz UYNSQQXGLPGWKT-JTQLQIEISA-N 0 1 281.812 3.504 20 0 CHADMN CCCc1cc(C(=O)N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)n[nH]1 ZINC000668039375 1126755359 /nfs/dbraw/zinc/75/53/59/1126755359.db2.gz KEWZSHQTKBFXCW-DZGCQCFKSA-N 0 1 291.439 3.649 20 0 CHADMN COCC1=CCN(Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000482487045 1126760330 /nfs/dbraw/zinc/76/03/30/1126760330.db2.gz OFXMSCGBVBKKDA-UHFFFAOYSA-N 0 1 284.403 3.563 20 0 CHADMN C=Cn1cc(CN[C@@H](c2ccc(F)cc2F)C(C)C)cn1 ZINC000194365939 1126760446 /nfs/dbraw/zinc/76/04/46/1126760446.db2.gz UIXKANYJHBZITN-MRXNPFEDSA-N 0 1 291.345 3.749 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1c(C2CC2)cnn1C ZINC000668061515 1126763250 /nfs/dbraw/zinc/76/32/50/1126763250.db2.gz JWWKMMHFPLBWAF-RVDMUPIBSA-N 0 1 295.430 3.833 20 0 CHADMN Clc1cccc(CN2CCC[C@H](c3ccncn3)C2)c1 ZINC000613208336 1126764686 /nfs/dbraw/zinc/76/46/86/1126764686.db2.gz FPYPAMIFJWZMRP-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN CCN(CC1CCC1)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000483123659 1126769011 /nfs/dbraw/zinc/76/90/11/1126769011.db2.gz SWYOTECOTQWDSA-AWEZNQCLSA-N 0 1 299.418 3.843 20 0 CHADMN CNc1ccc(C)cc1CNC1(c2ccccc2OC)CC1 ZINC000902603452 1126769231 /nfs/dbraw/zinc/76/92/31/1126769231.db2.gz GFUSUDWOUPBJQX-UHFFFAOYSA-N 0 1 296.414 3.824 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cc2nc(C3CCCC3)no2)C1 ZINC000483216475 1126773087 /nfs/dbraw/zinc/77/30/87/1126773087.db2.gz ARBSTOYTOIIPIX-AWEZNQCLSA-N 0 1 291.439 3.985 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@H](C)c1cncc(F)c1 ZINC000162393309 1126773331 /nfs/dbraw/zinc/77/33/31/1126773331.db2.gz HWUUJIBUYHJXDF-OLZOCXBDSA-N 0 1 288.366 3.950 20 0 CHADMN Cc1cc(-c2noc(CN(C)CC(C)(C)C)n2)ccc1F ZINC000483213055 1126773547 /nfs/dbraw/zinc/77/35/47/1126773547.db2.gz LETLNCQDTOOPMF-UHFFFAOYSA-N 0 1 291.370 3.662 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2CCC[C@H]2C(C)C)no1 ZINC000483305756 1126779500 /nfs/dbraw/zinc/77/95/00/1126779500.db2.gz GQMKGCPXWATCBA-GOEBONIOSA-N 0 1 299.418 3.959 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCC(C)=C(C)C2)c1 ZINC000483373656 1126783791 /nfs/dbraw/zinc/78/37/91/1126783791.db2.gz XYJLDHURFYTGEP-MRXNPFEDSA-N 0 1 286.419 3.673 20 0 CHADMN Cc1ccc2c(c1)CN(CCOc1cccc(F)c1)C2 ZINC000483341177 1126783070 /nfs/dbraw/zinc/78/30/70/1126783070.db2.gz UJWIUHBMSUBPBZ-UHFFFAOYSA-N 0 1 271.335 3.529 20 0 CHADMN C[C@@H](NCc1cccnc1)c1cccc(OC(F)(F)F)c1 ZINC000175753883 1126785489 /nfs/dbraw/zinc/78/54/89/1126785489.db2.gz QQWWLKSNVNSTLZ-LLVKDONJSA-N 0 1 296.292 3.831 20 0 CHADMN CC[C@@H](C[N@@H+]([C@H](C)C(=O)OC)C1CCC1)c1ccccc1 ZINC000483430938 1126785680 /nfs/dbraw/zinc/78/56/80/1126785680.db2.gz YVGIJLSQUJGPIU-CABCVRRESA-N 0 1 289.419 3.596 20 0 CHADMN CC[C@@H](CN([C@H](C)C(=O)OC)C1CCC1)c1ccccc1 ZINC000483430938 1126785684 /nfs/dbraw/zinc/78/56/84/1126785684.db2.gz YVGIJLSQUJGPIU-CABCVRRESA-N 0 1 289.419 3.596 20 0 CHADMN Cc1ncc(CN(C(C)C)[C@@H](C)c2ccsc2)n1C ZINC000668244715 1126786102 /nfs/dbraw/zinc/78/61/02/1126786102.db2.gz JCCGOIJVQRYZQZ-LBPRGKRZSA-N 0 1 277.437 3.762 20 0 CHADMN CC(C)[C@@H]1COCCN1[C@@H](C)Cc1ccccc1Cl ZINC001170288894 1130480886 /nfs/dbraw/zinc/48/08/86/1130480886.db2.gz YSXFRCNBWLJEBU-BBRMVZONSA-N 0 1 281.827 3.628 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1nccc2c1CCCC2 ZINC000903185423 1126796260 /nfs/dbraw/zinc/79/62/60/1126796260.db2.gz SPLPFOUDTWYTOE-SFHVURJKSA-N 0 1 296.389 3.877 20 0 CHADMN COc1ncc([C@@H](C)N[C@H](C)c2cncs2)cc1Cl ZINC000903311042 1126800760 /nfs/dbraw/zinc/80/07/60/1126800760.db2.gz MHGGCLKUVFRVGC-RKDXNWHRSA-N 0 1 297.811 3.612 20 0 CHADMN C[C@H](NCC[S@@](=O)C(C)(C)C)c1ccccc1Cl ZINC000177346877 1126800954 /nfs/dbraw/zinc/80/09/54/1126800954.db2.gz PRPZXDJSRCFKRJ-BBATYDOGSA-N 0 1 287.856 3.538 20 0 CHADMN CC(C)[C@H]1CCC[C@@H]1N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000483656464 1126797168 /nfs/dbraw/zinc/79/71/68/1126797168.db2.gz RQKFCNRWDHOMKU-XQQFMLRXSA-N 0 1 279.428 3.842 20 0 CHADMN Cc1c([C@@H](C)N[C@H](c2ccccn2)C2CC2)cnn1C(C)C ZINC000903334446 1126801680 /nfs/dbraw/zinc/80/16/80/1126801680.db2.gz AAOMXERCNPGKQU-ACJLOTCBSA-N 0 1 298.434 3.969 20 0 CHADMN Cc1ccc2[nH]c(CN[C@@H]3c4ccccc4C[C@@H]3C)nc2c1 ZINC000483851916 1126804408 /nfs/dbraw/zinc/80/44/08/1126804408.db2.gz LUCHPYLZLMMCES-DJJJIMSYSA-N 0 1 291.398 3.894 20 0 CHADMN Cc1ccc2nc(CN[C@@H]3c4ccccc4C[C@@H]3C)[nH]c2c1 ZINC000483851916 1126804412 /nfs/dbraw/zinc/80/44/12/1126804412.db2.gz LUCHPYLZLMMCES-DJJJIMSYSA-N 0 1 291.398 3.894 20 0 CHADMN CCc1ccc(CN[C@@H]2CCc3cc(F)ccc32)o1 ZINC000177750635 1126804635 /nfs/dbraw/zinc/80/46/35/1126804635.db2.gz DNTUFCZZXMEVCN-MRXNPFEDSA-N 0 1 259.324 3.758 20 0 CHADMN CC(C)c1cccc(CN2CC3(CC3(F)F)C2)c1 ZINC000668294208 1126806853 /nfs/dbraw/zinc/80/68/53/1126806853.db2.gz SHXLFXXIJFEWJL-UHFFFAOYSA-N 0 1 251.320 3.651 20 0 CHADMN Cc1cccc([C@H](C)NCc2cn3c(cccc3C)n2)c1 ZINC000178062165 1126808681 /nfs/dbraw/zinc/80/86/81/1126808681.db2.gz FGWQEKVEHMXZNY-HNNXBMFYSA-N 0 1 279.387 3.802 20 0 CHADMN CC1(C)SC[C@@H]1NCc1cc(Cl)ccc1Cl ZINC000393870170 1130545210 /nfs/dbraw/zinc/54/52/10/1130545210.db2.gz XJQXQXFOLRUDMG-NSHDSACASA-N 0 1 276.232 3.977 20 0 CHADMN CCc1noc(CC)c1CN[C@H](C)c1ccsc1 ZINC000178401613 1126812905 /nfs/dbraw/zinc/81/29/05/1126812905.db2.gz FFAQWIPCCAVSPA-SNVBAGLBSA-N 0 1 264.394 3.712 20 0 CHADMN C[C@@H](c1cccc(F)c1)N1CCC[C@@H](OC(F)F)C1 ZINC000679678154 1130552256 /nfs/dbraw/zinc/55/22/56/1130552256.db2.gz KCIHWJYDQIOXLS-GXFFZTMASA-N 0 1 273.298 3.590 20 0 CHADMN COCc1cccc(CN(C)[C@H](C)c2ccco2)c1 ZINC000179203991 1126824750 /nfs/dbraw/zinc/82/47/50/1126824750.db2.gz HHQPUTPYBFQYRZ-CYBMUJFWSA-N 0 1 259.349 3.619 20 0 CHADMN CN[C@@H](CC(C)C)c1nc([C@H](C)c2ccccc2C)no1 ZINC000904098652 1126828191 /nfs/dbraw/zinc/82/81/91/1126828191.db2.gz YKZRICBKQYGMJM-HIFRSBDPSA-N 0 1 287.407 3.836 20 0 CHADMN CCN(Cc1cccc2nccn21)[C@@H](C)c1cccc(O)c1 ZINC000179770761 1126833826 /nfs/dbraw/zinc/83/38/26/1126833826.db2.gz XIDMICGLNJPCQJ-AWEZNQCLSA-N 0 1 295.386 3.623 20 0 CHADMN CCC(C)(C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179825029 1126834575 /nfs/dbraw/zinc/83/45/75/1126834575.db2.gz WZICRJPOJKPGLH-UHFFFAOYSA-N 0 1 281.306 3.875 20 0 CHADMN CCN(Cc1cnn2ccccc12)[C@@H](C)c1cccc(O)c1 ZINC000179805789 1126834761 /nfs/dbraw/zinc/83/47/61/1126834761.db2.gz WNCORUAMOIQZLO-AWEZNQCLSA-N 0 1 295.386 3.623 20 0 CHADMN C[C@@H](NCc1ccc(OC(C)(C)C)nc1)c1cccnc1 ZINC000180011258 1126838882 /nfs/dbraw/zinc/83/88/82/1126838882.db2.gz XPWONNRBHUGXFB-CYBMUJFWSA-N 0 1 285.391 3.505 20 0 CHADMN CC[C@@H](NCc1ccc(CO)c(F)c1)c1ccccc1F ZINC000180219893 1126840600 /nfs/dbraw/zinc/84/06/00/1126840600.db2.gz YTFVHZVMJGQGOZ-QGZVFWFLSA-N 0 1 291.341 3.698 20 0 CHADMN CC(C)(C)c1noc(-c2ccc(Nc3ccncc3)cc2)n1 ZINC000904351750 1126847258 /nfs/dbraw/zinc/84/72/58/1126847258.db2.gz BDBLZZWUSKVUKD-UHFFFAOYSA-N 0 1 294.358 3.595 20 0 CHADMN C[C@@H]1CCCN1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181092822 1126852347 /nfs/dbraw/zinc/85/23/47/1126852347.db2.gz IDXZPAITYKNTHC-MRVPVSSYSA-N 0 1 294.305 3.517 20 0 CHADMN C[C@H](NCc1nnc(-c2ccco2)o1)[C@@H](C)c1ccccc1 ZINC000181523663 1126857009 /nfs/dbraw/zinc/85/70/09/1126857009.db2.gz HBGYZFLSXANCKH-OLZOCXBDSA-N 0 1 297.358 3.611 20 0 CHADMN CCOC(=[NH2+])c1ccc(O[C@H](C)C2=CC=C[CH]2)cc1 ZINC001234588876 1130659088 /nfs/dbraw/zinc/65/90/88/1130659088.db2.gz RYTFQEVPSPRIAF-GFCCVEGCSA-N 0 1 256.325 3.516 20 0 CHADMN C[C@H](c1ccccc1)[C@H](C)NCc1nc(-c2ccco2)no1 ZINC000181537061 1126857769 /nfs/dbraw/zinc/85/77/69/1126857769.db2.gz HSFDAAZZDFWGMO-STQMWFEESA-N 0 1 297.358 3.611 20 0 CHADMN CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000181550914 1126858059 /nfs/dbraw/zinc/85/80/59/1126858059.db2.gz DILSPRBDYIQMQO-DLBZAZTESA-N 0 1 289.419 3.900 20 0 CHADMN CCc1noc([C@@H](C)N[C@H](C)C(C)(C)c2ccccc2)n1 ZINC000181796514 1126861983 /nfs/dbraw/zinc/86/19/83/1126861983.db2.gz LERZQAIQXDLICX-CHWSQXEVSA-N 0 1 287.407 3.649 20 0 CHADMN CC(C)c1noc(CN[C@@H](C)C(C)(C)c2ccccc2)n1 ZINC000181776942 1126860395 /nfs/dbraw/zinc/86/03/95/1126860395.db2.gz UJHNSFDOUZYQRI-ZDUSSCGKSA-N 0 1 287.407 3.649 20 0 CHADMN C[C@H](N[C@@H](C)C(C)(C)c1ccccc1)c1nc(C2CC2)no1 ZINC000181774675 1126860550 /nfs/dbraw/zinc/86/05/50/1126860550.db2.gz WZCTYXKVWGCDPE-STQMWFEESA-N 0 1 299.418 3.964 20 0 CHADMN CC(C)c1nnc(CN[C@@H](C)C(C)(C)c2ccccc2)o1 ZINC000181793458 1126860800 /nfs/dbraw/zinc/86/08/00/1126860800.db2.gz XXGSXAKVXGYRTD-ZDUSSCGKSA-N 0 1 287.407 3.649 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc(Cl)cn2)s1 ZINC000182118186 1126866651 /nfs/dbraw/zinc/86/66/51/1126866651.db2.gz APBULUXLJCDKDA-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN CC(C)(C)OC(=O)CCCCN1Cc2ccccc2C1 ZINC000181855767 1126862960 /nfs/dbraw/zinc/86/29/60/1126862960.db2.gz RKACPSCVERGQNN-UHFFFAOYSA-N 0 1 275.392 3.514 20 0 CHADMN Cc1cc(S(=O)(=O)Nc2ccccc2C(C)C)c(C)o1 ZINC000182767543 1126878001 /nfs/dbraw/zinc/87/80/01/1126878001.db2.gz GGVQIBCATYFODL-UHFFFAOYSA-N 0 1 293.388 3.821 20 0 CHADMN c1cc2c(cccc2-c2cnc([C@@H]3CCCCN3)nc2)o1 ZINC000904866474 1126881059 /nfs/dbraw/zinc/88/10/59/1126881059.db2.gz HZQBGDSVEDMGGJ-HNNXBMFYSA-N 0 1 279.343 3.704 20 0 CHADMN CCC[C@H](C)C(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000485134412 1126887350 /nfs/dbraw/zinc/88/73/50/1126887350.db2.gz NQROZWOCPLMPMI-JTQLQIEISA-N 0 1 298.346 3.593 20 0 CHADMN Cc1noc([C@@H]2CCCCN2CCCc2cccc(C)c2)n1 ZINC000568789113 1126887424 /nfs/dbraw/zinc/88/74/24/1126887424.db2.gz PTBARNNSDNIRLZ-KRWDZBQOSA-N 0 1 299.418 3.846 20 0 CHADMN CCCCN(C)Cc1sc(C)nc1C(F)(F)F ZINC000183562601 1126888835 /nfs/dbraw/zinc/88/88/35/1126888835.db2.gz UKYGGOKDZGGUFT-UHFFFAOYSA-N 0 1 266.332 3.702 20 0 CHADMN Brc1ccc([C@@H](NC2CC2)c2ccco2)cc1 ZINC000183660871 1126889872 /nfs/dbraw/zinc/88/98/72/1126889872.db2.gz JJSBQAUNURJMMM-CQSZACIVSA-N 0 1 292.176 3.884 20 0 CHADMN CS[C@@H](C)CN[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183807775 1126891946 /nfs/dbraw/zinc/89/19/46/1126891946.db2.gz CVMQKXYHRSXEGL-LRDDRELGSA-N 0 1 290.407 3.651 20 0 CHADMN CCc1ncc(CN2CCC(c3ccco3)CC2)s1 ZINC000668462085 1126904965 /nfs/dbraw/zinc/90/49/65/1126904965.db2.gz KEJNEXUERZQVOG-UHFFFAOYSA-N 0 1 276.405 3.678 20 0 CHADMN CCc1ccc(CN2CCC(c3ccco3)CC2)o1 ZINC000668463388 1126905442 /nfs/dbraw/zinc/90/54/42/1126905442.db2.gz YZWBNZPXOAJQEV-UHFFFAOYSA-N 0 1 259.349 3.815 20 0 CHADMN CCN(C)c1ccc(CN2CCC(c3ccco3)CC2)cn1 ZINC000668463451 1126905496 /nfs/dbraw/zinc/90/54/96/1126905496.db2.gz ZUKXNPWEMDUUIK-UHFFFAOYSA-N 0 1 299.418 3.510 20 0 CHADMN CCCc1cccc(CNCc2c(C)noc2C)c1 ZINC000187162609 1126908831 /nfs/dbraw/zinc/90/88/31/1126908831.db2.gz MQUAPVWOAMWIJG-UHFFFAOYSA-N 0 1 258.365 3.534 20 0 CHADMN CCCc1cccc(CNCc2ncccc2C)c1 ZINC000187222618 1126909560 /nfs/dbraw/zinc/90/95/60/1126909560.db2.gz LLQOWAVPHSQUST-UHFFFAOYSA-N 0 1 254.377 3.632 20 0 CHADMN CC[C@]1(CO)CCCN([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000187521784 1126911264 /nfs/dbraw/zinc/91/12/64/1126911264.db2.gz LRZBETHBONXEMN-LRDDRELGSA-N 0 1 283.362 3.510 20 0 CHADMN O=C(Nc1cccc2c1CCCC2)c1cccc2cn[nH]c21 ZINC000485409842 1126912553 /nfs/dbraw/zinc/91/25/53/1126912553.db2.gz WHHJERUDRQGBKA-UHFFFAOYSA-N 0 1 291.354 3.694 20 0 CHADMN COc1cc(C)nc(CNC(C)(C)c2ccc(F)cc2)c1 ZINC000777436485 1126913030 /nfs/dbraw/zinc/91/30/30/1126913030.db2.gz QBZHDWYHQAAHSZ-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H](c1ccccc1)C1CCC1 ZINC000187951733 1126917792 /nfs/dbraw/zinc/91/77/92/1126917792.db2.gz FVZKSTGWEXAYSK-RDTXWAMCSA-N 0 1 281.403 3.977 20 0 CHADMN Cc1ccnc(N[C@H]2CCCSCC2)c1C1CC1 ZINC000668510829 1126925039 /nfs/dbraw/zinc/92/50/39/1126925039.db2.gz BOFRXOZFYHRSDA-ZDUSSCGKSA-N 0 1 262.422 3.965 20 0 CHADMN Fc1ccc(Cl)c(CSc2nc(C3CC3)n[nH]2)c1 ZINC000188173743 1126920130 /nfs/dbraw/zinc/92/01/30/1126920130.db2.gz RFILBUSGULCFQI-UHFFFAOYSA-N 0 1 283.759 3.767 20 0 CHADMN Fc1ccc(Cl)c(CSc2n[nH]c(C3CC3)n2)c1 ZINC000188173743 1126920133 /nfs/dbraw/zinc/92/01/33/1126920133.db2.gz RFILBUSGULCFQI-UHFFFAOYSA-N 0 1 283.759 3.767 20 0 CHADMN CCCOc1ccc(CNCc2cncs2)c(C)c1 ZINC000188792308 1126926528 /nfs/dbraw/zinc/92/65/28/1126926528.db2.gz ZVBHDTWMTBUQJT-UHFFFAOYSA-N 0 1 276.405 3.530 20 0 CHADMN Fc1ccc(CSc2nc(C3CC3)n[nH]2)cc1Cl ZINC000188908398 1126927177 /nfs/dbraw/zinc/92/71/77/1126927177.db2.gz OZZNLLNYBHFXJF-UHFFFAOYSA-N 0 1 283.759 3.767 20 0 CHADMN Fc1ccc(CSc2n[nH]c(C3CC3)n2)cc1Cl ZINC000188908398 1126927181 /nfs/dbraw/zinc/92/71/81/1126927181.db2.gz OZZNLLNYBHFXJF-UHFFFAOYSA-N 0 1 283.759 3.767 20 0 CHADMN CCOc1ccc(CNCc2cc(F)ccc2OC)cc1 ZINC000189199278 1126928670 /nfs/dbraw/zinc/92/86/70/1126928670.db2.gz KDXLGOSBBYCWMS-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN CCOC[C@H](N[C@H](C)c1nc2ccccc2o1)C(C)C ZINC000189794956 1126935277 /nfs/dbraw/zinc/93/52/77/1126935277.db2.gz XFIBJHRWMYMVEP-OCCSQVGLSA-N 0 1 276.380 3.540 20 0 CHADMN c1c2ccccc2oc1-c1cnc([C@H]2CCCCN2)nc1 ZINC000906164889 1126936991 /nfs/dbraw/zinc/93/69/91/1126936991.db2.gz MUUOVZOOBUIYEJ-CQSZACIVSA-N 0 1 279.343 3.704 20 0 CHADMN CSCc1cccc(CNCc2ccc(C)o2)c1 ZINC000189492658 1126933097 /nfs/dbraw/zinc/93/30/97/1126933097.db2.gz FRIDRSDQSKVNIR-UHFFFAOYSA-N 0 1 261.390 3.741 20 0 CHADMN Fc1cc(CSc2nc(C3CC3)n[nH]2)ccc1Cl ZINC000189826107 1126934739 /nfs/dbraw/zinc/93/47/39/1126934739.db2.gz ZZVXFUKRMZYXIO-UHFFFAOYSA-N 0 1 283.759 3.767 20 0 CHADMN Fc1cc(CSc2n[nH]c(C3CC3)n2)ccc1Cl ZINC000189826107 1126934741 /nfs/dbraw/zinc/93/47/41/1126934741.db2.gz ZZVXFUKRMZYXIO-UHFFFAOYSA-N 0 1 283.759 3.767 20 0 CHADMN CCOC[C@H](N[C@@H](C)c1nc2ccccc2o1)C(C)C ZINC000189794917 1126934797 /nfs/dbraw/zinc/93/47/97/1126934797.db2.gz XFIBJHRWMYMVEP-JSGCOSHPSA-N 0 1 276.380 3.540 20 0 CHADMN Cc1cncc(CN(C)Cc2cccc(Cl)c2)c1 ZINC000189772217 1126934855 /nfs/dbraw/zinc/93/48/55/1126934855.db2.gz LJEIBIFRGTZUHG-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1cncc(CN(Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000189803749 1126934930 /nfs/dbraw/zinc/93/49/30/1126934930.db2.gz AJVCHMAIYBGXIW-LJQANCHMSA-N 0 1 296.414 3.571 20 0 CHADMN Fc1ccc(-c2cnc([C@H]3CCCCN3)nc2)cc1Cl ZINC000906206147 1126937646 /nfs/dbraw/zinc/93/76/46/1126937646.db2.gz CZDLWDFATGSITO-CQSZACIVSA-N 0 1 291.757 3.751 20 0 CHADMN C[C@H](c1ccccn1)N(C)C[C@@H]1CCC2(CCCCC2)O1 ZINC000191004839 1126946000 /nfs/dbraw/zinc/94/60/00/1126946000.db2.gz ZSJRDIIMNHMMEN-CVEARBPZSA-N 0 1 288.435 3.956 20 0 CHADMN CC(C)c1nnc(CN[C@@H]2CCC[C@@H]2Cc2ccccc2)o1 ZINC000191355688 1126950684 /nfs/dbraw/zinc/95/06/84/1126950684.db2.gz IXOOBRFHPRVDML-HZPDHXFCSA-N 0 1 299.418 3.694 20 0 CHADMN CC(C)N(C)c1ccc(CN(C)[C@@H](C)c2ccncc2)cn1 ZINC000191477692 1126952701 /nfs/dbraw/zinc/95/27/01/1126952701.db2.gz WWQXDYAEDWFMPY-HNNXBMFYSA-N 0 1 298.434 3.514 20 0 CHADMN Fc1cccc(CN2CCC(c3ccncc3)CC2)c1F ZINC000191664383 1126954296 /nfs/dbraw/zinc/95/42/96/1126954296.db2.gz MZJLPDRKJZXGFS-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN CC(C)c1ccc([C@@H](C)N2CCO[C@H](C3CC3)C2)cc1 ZINC000485830855 1126955334 /nfs/dbraw/zinc/95/53/34/1126955334.db2.gz NXHZCVYRRJDHFQ-KDOFPFPSSA-N 0 1 273.420 3.982 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1cocn1 ZINC000191946710 1126956804 /nfs/dbraw/zinc/95/68/04/1126956804.db2.gz QGXQUUWXXUWJAW-RYUDHWBXSA-N 0 1 278.783 3.952 20 0 CHADMN Fc1cccc([C@@H]2C[C@@H]2N2CCC(c3ccon3)CC2)c1 ZINC000906590973 1126959523 /nfs/dbraw/zinc/95/95/23/1126959523.db2.gz USJCGXJROZJYCF-RDJZCZTQSA-N 0 1 286.350 3.549 20 0 CHADMN CCC(CC)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000192475368 1126962668 /nfs/dbraw/zinc/96/26/68/1126962668.db2.gz TYSIYNBJSAMHTE-UHFFFAOYSA-N 0 1 275.352 3.661 20 0 CHADMN COc1cc2ccccc2cc1CN(C)CC1=CCCOC1 ZINC000668569022 1126963033 /nfs/dbraw/zinc/96/30/33/1126963033.db2.gz PEYBTCWXYSNYGQ-UHFFFAOYSA-N 0 1 297.398 3.627 20 0 CHADMN C[C@@H](NCc1ccc(C(C)(C)C)cc1)c1ccnn1C ZINC000192778932 1126964327 /nfs/dbraw/zinc/96/43/27/1126964327.db2.gz DYMUQLRWQYFFDQ-CYBMUJFWSA-N 0 1 271.408 3.568 20 0 CHADMN C[C@@H](N[C@H]1CCSc2ccc(F)cc21)c1ccnnc1 ZINC000924810207 1126968607 /nfs/dbraw/zinc/96/86/07/1126968607.db2.gz OQMBUUINJAFHQK-YGRLFVJLSA-N 0 1 289.379 3.503 20 0 CHADMN C=Cn1cc(CN2CC[C@H](C)C[C@H]2c2ccco2)cn1 ZINC000194032966 1126971863 /nfs/dbraw/zinc/97/18/63/1126971863.db2.gz RLUQASIOTWPSGH-ZFWWWQNUSA-N 0 1 271.364 3.550 20 0 CHADMN FCC[C@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000668592788 1126973412 /nfs/dbraw/zinc/97/34/12/1126973412.db2.gz UTMGBEIDONXEBY-GFCCVEGCSA-N 0 1 282.428 3.594 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1c(C)noc1C ZINC000194865397 1126976719 /nfs/dbraw/zinc/97/67/19/1126976719.db2.gz ZGMJIRVDDREHMY-JTQLQIEISA-N 0 1 276.405 3.864 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@@H](C)c1ccccc1 ZINC000266899092 1126990008 /nfs/dbraw/zinc/99/00/08/1126990008.db2.gz SYQPNSHGUHTTCZ-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccccc2C)c1F ZINC000165826356 1126993305 /nfs/dbraw/zinc/99/33/05/1126993305.db2.gz WCHNRZCRGGODDT-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN COc1cc([C@@H](C)NCc2ccc(C)o2)ccc1F ZINC000154498632 1126993705 /nfs/dbraw/zinc/99/37/05/1126993705.db2.gz YDPCWHSPPKRXGC-LLVKDONJSA-N 0 1 263.312 3.587 20 0 CHADMN C/C(=C(\F)C(=O)Nc1cc(Cl)c(O)cc1F)C1CC1 ZINC000908187846 1126995261 /nfs/dbraw/zinc/99/52/61/1126995261.db2.gz LAQWSSIJRYJQKR-WUXMJOGZSA-N 0 1 287.693 3.777 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267464548 1127000807 /nfs/dbraw/zinc/00/08/07/1127000807.db2.gz WAAMNAGYWBGQJK-NWDGAFQWSA-N 0 1 291.345 3.629 20 0 CHADMN CCCCc1noc(C[N@H+]2CCC[C@@H]2[C@@H](C)CCC)n1 ZINC000486776729 1127001276 /nfs/dbraw/zinc/00/12/76/1127001276.db2.gz CVOZDLQZSDSJLT-UONOGXRCSA-N 0 1 279.428 3.813 20 0 CHADMN CCCCc1noc(CN2CCC[C@@H]2[C@@H](C)CCC)n1 ZINC000486776729 1127001279 /nfs/dbraw/zinc/00/12/79/1127001279.db2.gz CVOZDLQZSDSJLT-UONOGXRCSA-N 0 1 279.428 3.813 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1nc(CC(C)C)no1 ZINC000486793762 1127002897 /nfs/dbraw/zinc/00/28/97/1127002897.db2.gz KEGWRLQTFKXTQI-KGLIPLIRSA-N 0 1 279.428 3.669 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1Cc1nc(CC(C)C)no1 ZINC000486793762 1127002902 /nfs/dbraw/zinc/00/29/02/1127002902.db2.gz KEGWRLQTFKXTQI-KGLIPLIRSA-N 0 1 279.428 3.669 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1cn2ccsc2n1 ZINC000486810854 1127003459 /nfs/dbraw/zinc/00/34/59/1127003459.db2.gz SCPJNPKZDHIOIY-AWEZNQCLSA-N 0 1 277.437 3.941 20 0 CHADMN COc1ncccc1CN(C)[C@H](C)c1ccc(C)cc1C ZINC000486812085 1127003545 /nfs/dbraw/zinc/00/35/45/1127003545.db2.gz NXPFUXIPQJCMTE-OAHLLOKOSA-N 0 1 284.403 3.900 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1CC(=O)Nc1ccccc1F ZINC000486815178 1127004971 /nfs/dbraw/zinc/00/49/71/1127004971.db2.gz XWPOSKIUIKWQOB-CJNGLKHVSA-N 0 1 292.398 3.665 20 0 CHADMN O[C@H](CN(C/C=C\Cl)Cc1ccccc1)c1ccco1 ZINC000267742181 1127006001 /nfs/dbraw/zinc/00/60/01/1127006001.db2.gz GGZGXHDSLRUMLB-HMZQOCAUSA-N 0 1 291.778 3.568 20 0 CHADMN C[C@@H](NCCOC1CCCCC1)c1cccnc1Cl ZINC000268803437 1127024750 /nfs/dbraw/zinc/02/47/50/1127024750.db2.gz GVKPCYRMMAMUHH-GFCCVEGCSA-N 0 1 282.815 3.735 20 0 CHADMN CC[C@@H](C(=O)Nc1ncc(C(F)(F)F)[nH]1)c1ccccc1 ZINC000268742881 1127021501 /nfs/dbraw/zinc/02/15/01/1127021501.db2.gz QTBSXSGPDYZIBQ-SNVBAGLBSA-N 0 1 297.280 3.561 20 0 CHADMN C[C@H]1CCCCN1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000487563504 1127035452 /nfs/dbraw/zinc/03/54/52/1127035452.db2.gz WFUWXRJOYRHUNZ-LBPRGKRZSA-N 0 1 291.345 3.525 20 0 CHADMN CN(Cc1ccc(C(F)(F)F)s1)CC1=CCSC1 ZINC000668774586 1127030842 /nfs/dbraw/zinc/03/08/42/1127030842.db2.gz DDHFBKSQKZLMNE-UHFFFAOYSA-N 0 1 293.379 3.872 20 0 CHADMN CCC1(CC)CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000487319214 1127032145 /nfs/dbraw/zinc/03/21/45/1127032145.db2.gz MAQKLNYMVLCMIU-UHFFFAOYSA-N 0 1 285.391 3.605 20 0 CHADMN C[C@@H](N[C@H]1CCc2c1cccc2F)c1cncc(F)c1 ZINC000269011386 1127033032 /nfs/dbraw/zinc/03/30/32/1127033032.db2.gz NOWCXUWETKNLEQ-HWPZZCPQSA-N 0 1 274.314 3.698 20 0 CHADMN CO[C@@H](C)c1nc(CN[C@H](C)CCc2ccco2)cs1 ZINC000269096924 1127035727 /nfs/dbraw/zinc/03/57/27/1127035727.db2.gz SALUQPKKKRTVSC-NEPJUHHUSA-N 0 1 294.420 3.554 20 0 CHADMN CCCCn1cc(CNCc2cc(Cl)cs2)c(C)n1 ZINC000487549177 1127035737 /nfs/dbraw/zinc/03/57/37/1127035737.db2.gz FMTWINGYLLUCLD-UHFFFAOYSA-N 0 1 297.855 3.996 20 0 CHADMN CCc1cccc(F)c1CN[C@@H](c1ccccc1)[C@H](C)O ZINC000668788230 1127038828 /nfs/dbraw/zinc/03/88/28/1127038828.db2.gz HERZHTLKGAZFIZ-SCLBCKFNSA-N 0 1 287.378 3.600 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)COc2cccc(F)c2)cs1 ZINC000269423317 1127039367 /nfs/dbraw/zinc/03/93/67/1127039367.db2.gz MMSGXMFKGSTCAO-QWRGUYRKSA-N 0 1 294.395 3.709 20 0 CHADMN Cc1ccncc1CN[C@H](c1ncccc1C)C(C)C ZINC000269678349 1127044567 /nfs/dbraw/zinc/04/45/67/1127044567.db2.gz ZFEHGVRUPOZSTL-INIZCTEOSA-N 0 1 269.392 3.580 20 0 CHADMN c1c[nH]c([C@@H]2CCCN2Cc2cnc(-c3ccccc3)[nH]2)c1 ZINC000269459223 1127040691 /nfs/dbraw/zinc/04/06/91/1127040691.db2.gz IZZMAHXCNSZTSC-KRWDZBQOSA-N 0 1 292.386 3.742 20 0 CHADMN COc1ncccc1CN(C)[C@@H](c1ccccc1)C(C)C ZINC000487869434 1127046048 /nfs/dbraw/zinc/04/60/48/1127046048.db2.gz HEZGUZJIDHUBJN-QGZVFWFLSA-N 0 1 284.403 3.919 20 0 CHADMN Cc1cc(Cl)nc(Cl)c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001236600474 1130981401 /nfs/dbraw/zinc/98/14/01/1130981401.db2.gz XKUDJRVFFCDWRA-PHIMTYICSA-N 0 1 285.218 3.929 20 0 CHADMN Cc1cc(Cl)nc(Cl)c1CN1C[C@@H]2CCC[C@@H]2C1 ZINC001236600474 1130981404 /nfs/dbraw/zinc/98/14/04/1130981404.db2.gz XKUDJRVFFCDWRA-PHIMTYICSA-N 0 1 285.218 3.929 20 0 CHADMN CC1(C)C[C@]1(NCc1ccc2c(n1)CCC2)c1ccccc1 ZINC000668813360 1127051596 /nfs/dbraw/zinc/05/15/96/1127051596.db2.gz CMWOAZGYQSOXSJ-FQEVSTJZSA-N 0 1 292.426 3.985 20 0 CHADMN CCC[C@@H](C)N(C)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000270606626 1127058339 /nfs/dbraw/zinc/05/83/39/1127058339.db2.gz MSQQNQYTSMNUEC-SECBINFHSA-N 0 1 293.436 3.634 20 0 CHADMN CC[N@@H+](Cc1ccc(F)c(F)c1)[C@H](C)c1cccnc1 ZINC000270687300 1127061282 /nfs/dbraw/zinc/06/12/82/1127061282.db2.gz DRYGJFVOPQBBKV-GFCCVEGCSA-N 0 1 276.330 3.943 20 0 CHADMN CCN(Cc1ccc(F)c(F)c1)[C@H](C)c1cccnc1 ZINC000270687300 1127061284 /nfs/dbraw/zinc/06/12/84/1127061284.db2.gz DRYGJFVOPQBBKV-GFCCVEGCSA-N 0 1 276.330 3.943 20 0 CHADMN CCC[N@@H+](CC)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000270689359 1127061320 /nfs/dbraw/zinc/06/13/20/1127061320.db2.gz FCOSLHGADDJOSE-SNVBAGLBSA-N 0 1 293.436 3.807 20 0 CHADMN CCCN(CC)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000270689359 1127061322 /nfs/dbraw/zinc/06/13/22/1127061322.db2.gz FCOSLHGADDJOSE-SNVBAGLBSA-N 0 1 293.436 3.807 20 0 CHADMN CCC1(CO)CCN([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000270887814 1127063342 /nfs/dbraw/zinc/06/33/42/1127063342.db2.gz MFVCZNCYPWEXEJ-LBPRGKRZSA-N 0 1 283.362 3.510 20 0 CHADMN CC(C)CN(C)Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000271038580 1127065786 /nfs/dbraw/zinc/06/57/86/1127065786.db2.gz HBEUESQBADXWJI-UHFFFAOYSA-N 0 1 294.830 3.753 20 0 CHADMN CC(=O)Nc1ccccc1CN(Cc1ccco1)C(C)C ZINC000271041792 1127066412 /nfs/dbraw/zinc/06/64/12/1127066412.db2.gz JBWYTCSOJFOLSA-UHFFFAOYSA-N 0 1 286.375 3.649 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccnn2C2CCC2)ccc1C ZINC000924832487 1127066653 /nfs/dbraw/zinc/06/66/53/1127066653.db2.gz SJSYULGUXDGLTG-AWEZNQCLSA-N 0 1 299.418 3.776 20 0 CHADMN Cc1ccccc1O[C@@H](C)CN[C@H](C)c1cscn1 ZINC000271066910 1127067468 /nfs/dbraw/zinc/06/74/68/1127067468.db2.gz DHTFWTAAEYKUIS-QWHCGFSZSA-N 0 1 276.405 3.570 20 0 CHADMN Cc1n[nH]cc1CN(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000271056480 1127067602 /nfs/dbraw/zinc/06/76/02/1127067602.db2.gz TZWXESYQAQMYET-LLVKDONJSA-N 0 1 297.324 3.930 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1cnc2cnccn12 ZINC000271111835 1127068393 /nfs/dbraw/zinc/06/83/93/1127068393.db2.gz URJFMFCGNNYUKD-KRWDZBQOSA-N 0 1 294.402 3.703 20 0 CHADMN CC1(C)CN(Cc2cc3ccc(F)cc3[nH]2)CCS1 ZINC000488290398 1127070613 /nfs/dbraw/zinc/07/06/13/1127070613.db2.gz GPKUPBWXIYUFRH-UHFFFAOYSA-N 0 1 278.396 3.634 20 0 CHADMN C[C@@H](NCC1(c2cccc(F)c2)CC1)c1cscn1 ZINC000271187343 1127072575 /nfs/dbraw/zinc/07/25/75/1127072575.db2.gz WXNKVQZZEGJXCF-LLVKDONJSA-N 0 1 276.380 3.665 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1C ZINC000271406947 1127078989 /nfs/dbraw/zinc/07/89/89/1127078989.db2.gz ACGMXOOIXCUYSG-UONOGXRCSA-N 0 1 286.423 3.957 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@H](C)c2cccc(Cl)c2)n[nH]1 ZINC000271411476 1127079926 /nfs/dbraw/zinc/07/99/26/1127079926.db2.gz ASIUFRRLCWFCKR-GHMZBOCLSA-N 0 1 292.814 3.993 20 0 CHADMN CCC[C@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(OC)cc1 ZINC000271429393 1127080414 /nfs/dbraw/zinc/08/04/14/1127080414.db2.gz AXGKPIJKSGCHIT-DLBZAZTESA-N 0 1 299.418 3.927 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2CCCc3c[nH]nc32)c(C)c1 ZINC000271429141 1127080448 /nfs/dbraw/zinc/08/04/48/1127080448.db2.gz APVRGJLEZMDSPC-BBRMVZONSA-N 0 1 269.392 3.755 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H](C)c2ccc(Cl)cc2)n[nH]1 ZINC000271434691 1127080697 /nfs/dbraw/zinc/08/06/97/1127080697.db2.gz DRBHLLDXMRIQMV-QWRGUYRKSA-N 0 1 292.814 3.993 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H]2CCCc3c[nH]nc32)c(C)c1 ZINC000271429145 1127080972 /nfs/dbraw/zinc/08/09/72/1127080972.db2.gz APVRGJLEZMDSPC-CZUORRHYSA-N 0 1 269.392 3.755 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1cncc(C)c1 ZINC000271446976 1127082336 /nfs/dbraw/zinc/08/23/36/1127082336.db2.gz FVCLBHSHRXLONJ-CYBMUJFWSA-N 0 1 286.423 3.501 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H](C)Oc2ccccc2)cs1 ZINC000271450402 1127082950 /nfs/dbraw/zinc/08/29/50/1127082950.db2.gz IBGUJEQUHUIRFV-VXGBXAGGSA-N 0 1 276.405 3.570 20 0 CHADMN CCc1cccc2c1OCC[C@@H]2N[C@H](C)c1cncs1 ZINC000271502831 1127087700 /nfs/dbraw/zinc/08/77/00/1127087700.db2.gz QWEQZMJXVZJDCE-RISCZKNCSA-N 0 1 288.416 3.880 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc2c(c1)CCC2 ZINC000271490676 1127085739 /nfs/dbraw/zinc/08/57/39/1127085739.db2.gz OWRYKOFIDLAUFU-DJJJIMSYSA-N 0 1 299.389 3.699 20 0 CHADMN CCc1nc([C@H](C)N[C@H]2CC[C@H](C)c3ccccc32)n[nH]1 ZINC000271484712 1127085757 /nfs/dbraw/zinc/08/57/57/1127085757.db2.gz KAAPEPFQLLDAKL-HUBLWGQQSA-N 0 1 284.407 3.656 20 0 CHADMN CC[C@@H](NCc1cc(C)ncn1)c1ccc(Cl)s1 ZINC000271484740 1127085825 /nfs/dbraw/zinc/08/58/25/1127085825.db2.gz KAKZTVQHQJCNMQ-LLVKDONJSA-N 0 1 281.812 3.741 20 0 CHADMN CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@H](C)c1nccs1 ZINC000271484788 1127085948 /nfs/dbraw/zinc/08/59/48/1127085948.db2.gz KBNWGSDQMLXAAC-WDMOLILDSA-N 0 1 294.395 3.709 20 0 CHADMN Cc1cccc([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1C ZINC000271541966 1127090433 /nfs/dbraw/zinc/09/04/33/1127090433.db2.gz QYSKVIRFGQSFJQ-KGLIPLIRSA-N 0 1 286.423 3.957 20 0 CHADMN CC[C@@H](N[C@H](C)c1cn[nH]c1)c1cc(C)ccc1OC ZINC000271599088 1127093934 /nfs/dbraw/zinc/09/39/34/1127093934.db2.gz ZHPMAJWYJICWCP-IUODEOHRSA-N 0 1 273.380 3.529 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CC=CC23CCCCC3)[nH]1 ZINC000912472117 1127100966 /nfs/dbraw/zinc/10/09/66/1127100966.db2.gz JRNKIJPBYSGUSO-UHFFFAOYSA-N 0 1 295.386 3.586 20 0 CHADMN c1nc2cc(-c3noc([C@@H]4CCCCS4)n3)ccc2[nH]1 ZINC000273921188 1127102168 /nfs/dbraw/zinc/10/21/68/1127102168.db2.gz NLEGMCQMFGCVRR-LBPRGKRZSA-N 0 1 286.360 3.571 20 0 CHADMN CC1(C)CC[C@@H](NCc2ncc(-c3ccccc3)cn2)C1 ZINC000274051649 1127106089 /nfs/dbraw/zinc/10/60/89/1127106089.db2.gz LJJOYKBTCQTUNL-MRXNPFEDSA-N 0 1 281.403 3.812 20 0 CHADMN C[C@@H]1C[C@H](N[C@H](c2ccccc2)C2CCCC2)c2ncnn21 ZINC000924847361 1127106927 /nfs/dbraw/zinc/10/69/27/1127106927.db2.gz UAHKWQKUXXQLRA-XOKHGSTOSA-N 0 1 296.418 3.805 20 0 CHADMN S=c1oc2ccccc2n1CN1C2CCC1CC2 ZINC000912787062 1127111649 /nfs/dbraw/zinc/11/16/49/1127111649.db2.gz YXNJDYHUXXKYEO-UHFFFAOYSA-N 0 1 260.362 3.548 20 0 CHADMN CC(C)(C)Oc1cccc(CN2CCC[C@@H]2CF)c1 ZINC001237104099 1131048626 /nfs/dbraw/zinc/04/86/26/1131048626.db2.gz AIJZMRBTKLDXAL-CQSZACIVSA-N 0 1 265.372 3.798 20 0 CHADMN Cc1ccc(CN(Cc2cccc(C)n2)CC2CC2)cn1 ZINC000646019728 1127112768 /nfs/dbraw/zinc/11/27/68/1127112768.db2.gz XUQMVAOFKFWPBP-UHFFFAOYSA-N 0 1 281.403 3.506 20 0 CHADMN COc1ccsc1[C@H](C)N[C@H]1CCc2c1cccc2O ZINC000274421782 1127119444 /nfs/dbraw/zinc/11/94/44/1127119444.db2.gz HKGQLBSVPGUPLR-GWCFXTLKSA-N 0 1 289.400 3.800 20 0 CHADMN Cc1cc(C)cc([C@H](C)NCc2cn(C)nc2C(F)F)c1 ZINC000274482651 1127120085 /nfs/dbraw/zinc/12/00/85/1127120085.db2.gz MWBIRCQQKQVUPU-LBPRGKRZSA-N 0 1 293.361 3.825 20 0 CHADMN Cc1cccc2nc(-c3cnccc3C(F)(F)F)[nH]c21 ZINC000717871963 1127121609 /nfs/dbraw/zinc/12/16/09/1127121609.db2.gz HNOYDBODXSYEHA-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cc(OC)ccn2)cc1 ZINC000924856667 1127129859 /nfs/dbraw/zinc/12/98/59/1127129859.db2.gz DEHCERPJEHXTAO-QWHCGFSZSA-N 0 1 286.375 3.511 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cc(OC)ccn2)cc1 ZINC000924856672 1127129951 /nfs/dbraw/zinc/12/99/51/1127129951.db2.gz DEHCERPJEHXTAO-STQMWFEESA-N 0 1 286.375 3.511 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1cc(C)c(O)c(C)c1 ZINC000348835774 1127130635 /nfs/dbraw/zinc/13/06/35/1127130635.db2.gz UPRJVZDROQLNJA-UHFFFAOYSA-N 0 1 288.391 3.639 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cc(O)cc(F)c2)cc1 ZINC000924857302 1127131455 /nfs/dbraw/zinc/13/14/55/1127131455.db2.gz GURFIQMOTFXCEC-NWDGAFQWSA-N 0 1 289.350 3.952 20 0 CHADMN COc1cc(CN2CCC[C@@H]2c2cccnc2)ccc1C ZINC000348903827 1127133689 /nfs/dbraw/zinc/13/36/89/1127133689.db2.gz HXZIGEUSINVSJF-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN CCC1(C)CCN(Cc2cn3cccc(C)c3n2)CC1 ZINC000586768045 1127139098 /nfs/dbraw/zinc/13/90/98/1127139098.db2.gz KNFWUFPAKXCHNG-UHFFFAOYSA-N 0 1 271.408 3.655 20 0 CHADMN C[C@@H](c1ccccn1)N1CC[C@@H](OCC[Si](C)(C)C)C1 ZINC001224906492 1127136298 /nfs/dbraw/zinc/13/62/98/1127136298.db2.gz ISCZXXFGLPSBFV-LSDHHAIUSA-N 0 1 292.499 3.572 20 0 CHADMN CN(C)[C@H](CNC(=O)CCCC(C)(C)C)c1ccsc1 ZINC000349249338 1127145300 /nfs/dbraw/zinc/14/53/00/1127145300.db2.gz UGNOLNOXNMVVCU-CQSZACIVSA-N 0 1 296.480 3.683 20 0 CHADMN c1ccc(CSCCN(Cc2ccccn2)C2CC2)cc1 ZINC000349276182 1127145318 /nfs/dbraw/zinc/14/53/18/1127145318.db2.gz IXEVWLGQDZIXHO-UHFFFAOYSA-N 0 1 298.455 3.979 20 0 CHADMN Cc1nc2c(cccc2C(=O)N([C@@H](C)C(C)C)C2CC2)[nH]1 ZINC000283592544 1127145450 /nfs/dbraw/zinc/14/54/50/1127145450.db2.gz XOMMYSDFKZPDNF-NSHDSACASA-N 0 1 285.391 3.520 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](CO)c2ccsc2)s1 ZINC000349308886 1127146467 /nfs/dbraw/zinc/14/64/67/1127146467.db2.gz BPPGSJPACCWORQ-PWSUYJOCSA-N 0 1 267.419 3.502 20 0 CHADMN COCCN(Cc1cccs1)Cc1ccc(C)s1 ZINC000349544803 1127154151 /nfs/dbraw/zinc/15/41/51/1127154151.db2.gz ZAVMEPKIMYWZKE-UHFFFAOYSA-N 0 1 281.446 3.767 20 0 CHADMN Clc1cnc(CN[C@H]2C[C@H]2Cc2ccccc2)s1 ZINC000349619268 1127155736 /nfs/dbraw/zinc/15/57/36/1127155736.db2.gz ZICKCKKXCYINIE-NEPJUHHUSA-N 0 1 278.808 3.517 20 0 CHADMN CCc1nc(CN[C@@H](C)CSC(C)(C)C)cs1 ZINC000156437878 1127156325 /nfs/dbraw/zinc/15/63/25/1127156325.db2.gz YIVKNPQUUWGZGO-JTQLQIEISA-N 0 1 272.483 3.715 20 0 CHADMN Cc1cccc2ncc(CN(C)[C@@H](C)c3ccc(F)cc3)n21 ZINC000349745976 1127159445 /nfs/dbraw/zinc/15/94/45/1127159445.db2.gz FFDHRSIPDPQYNK-AWEZNQCLSA-N 0 1 297.377 3.975 20 0 CHADMN CSCc1ccc(-c2cc(O)c(F)c(F)c2F)nc1 ZINC001245635494 1131096388 /nfs/dbraw/zinc/09/63/88/1131096388.db2.gz LEDADAGWYZOROR-UHFFFAOYSA-N 0 1 285.290 3.735 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N1CC[C@@H](C)[C@@H]1C ZINC000283963209 1127166683 /nfs/dbraw/zinc/16/66/83/1127166683.db2.gz DYDHUBONCSADRG-FRRDWIJNSA-N 0 1 271.364 3.528 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2cn3c(n2)CCCC3)c(C)c1 ZINC000924858750 1127170942 /nfs/dbraw/zinc/17/09/42/1127170942.db2.gz MIGFOPRLNKGXCZ-MRXNPFEDSA-N 0 1 297.446 3.995 20 0 CHADMN C[C@H]1c2ccsc2CCN1Cc1cccc(O)c1 ZINC000350056442 1127171268 /nfs/dbraw/zinc/17/12/68/1127171268.db2.gz YVFXAGJKKPHJTQ-NSHDSACASA-N 0 1 259.374 3.573 20 0 CHADMN CCCN(CCO)Cc1cc(C(F)(F)F)ccc1Cl ZINC000350073360 1127172116 /nfs/dbraw/zinc/17/21/16/1127172116.db2.gz JGJBVPKFTDYWHA-UHFFFAOYSA-N 0 1 295.732 3.563 20 0 CHADMN FC[C@H]1CCCN1Cc1cccc2c(F)cccc12 ZINC001237524717 1131111280 /nfs/dbraw/zinc/11/12/80/1131111280.db2.gz GRXNJKYUQSWWSV-CYBMUJFWSA-N 0 1 261.315 3.913 20 0 CHADMN CCCCN(CCC)Cc1c(F)c(OC)ccc1OC ZINC001237570801 1131114246 /nfs/dbraw/zinc/11/42/46/1131114246.db2.gz BVLOJLFRXTYFFN-UHFFFAOYSA-N 0 1 283.387 3.855 20 0 CHADMN CCCc1ccc([C@H](C)NCc2cc(C)nn2C)cc1 ZINC000284353888 1127181253 /nfs/dbraw/zinc/18/12/53/1127181253.db2.gz NLNLPZOYZWXEDW-AWEZNQCLSA-N 0 1 271.408 3.532 20 0 CHADMN CC/C=C\CCN1CCc2c(F)cc(F)cc2C1 ZINC000466802616 1127181606 /nfs/dbraw/zinc/18/16/06/1127181606.db2.gz PYONBUSLQYVIQH-ARJAWSKDSA-N 0 1 251.320 3.679 20 0 CHADMN CC(C)[N@@H+](Cc1cccc([O-])c1Cl)CC1CC1 ZINC000646061053 1127185444 /nfs/dbraw/zinc/18/54/44/1127185444.db2.gz UXKAJFBYYGZOOT-UHFFFAOYSA-N 0 1 253.773 3.666 20 0 CHADMN CC(C)[N@H+](Cc1cccc([O-])c1Cl)CC1CC1 ZINC000646061053 1127185446 /nfs/dbraw/zinc/18/54/46/1127185446.db2.gz UXKAJFBYYGZOOT-UHFFFAOYSA-N 0 1 253.773 3.666 20 0 CHADMN Cc1cnc(CN2CCC[C@H](c3ccc(F)cc3)CC2)nc1 ZINC000351310311 1127188202 /nfs/dbraw/zinc/18/82/02/1127188202.db2.gz YDOKXWDYUHNVTI-HNNXBMFYSA-N 0 1 299.393 3.694 20 0 CHADMN CO[C@H](CN(C)Cc1nc2ccccc2o1)c1ccccc1 ZINC000284514333 1127188334 /nfs/dbraw/zinc/18/83/34/1127188334.db2.gz VXFODSKMTYOMJT-QGZVFWFLSA-N 0 1 296.370 3.647 20 0 CHADMN Cc1ccccc1-c1nc(CN2CCC[C@H]2C(C)C)no1 ZINC000351472101 1127188813 /nfs/dbraw/zinc/18/88/13/1127188813.db2.gz OADLCRAVBDVZII-HNNXBMFYSA-N 0 1 285.391 3.665 20 0 CHADMN Cc1occc1C[N@H+](C)CCO[C@H]1CCCC[C@H]1C ZINC000351562869 1127193420 /nfs/dbraw/zinc/19/34/20/1127193420.db2.gz CMZZRYRQEGFXBU-CJNGLKHVSA-N 0 1 265.397 3.615 20 0 CHADMN Cc1occc1CN(C)CCO[C@H]1CCCC[C@H]1C ZINC000351562869 1127193421 /nfs/dbraw/zinc/19/34/21/1127193421.db2.gz CMZZRYRQEGFXBU-CJNGLKHVSA-N 0 1 265.397 3.615 20 0 CHADMN CSCc1cnc(CN2CC[C@@H](CC(C)C)C2)s1 ZINC000351569172 1127194370 /nfs/dbraw/zinc/19/43/70/1127194370.db2.gz RRDIQYDNDQTAFT-LBPRGKRZSA-N 0 1 284.494 3.874 20 0 CHADMN CC(C)Cn1ccnc1NCc1ccc(Cl)cc1F ZINC000351566658 1127194548 /nfs/dbraw/zinc/19/45/48/1127194548.db2.gz HUOGNGZPQIPSIF-UHFFFAOYSA-N 0 1 281.762 3.944 20 0 CHADMN COCCN(Cc1occc1C)[C@H](C)c1ccccc1 ZINC000351580962 1127195244 /nfs/dbraw/zinc/19/52/44/1127195244.db2.gz FFIFCSKYDKAQLK-OAHLLOKOSA-N 0 1 273.376 3.798 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\c1ccc(Cl)cc1 ZINC000351592355 1127195994 /nfs/dbraw/zinc/19/59/94/1127195994.db2.gz KAUYJWPUCYMKJZ-WEXHZKPASA-N 0 1 275.779 3.549 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)N2C/C=C\c1ccc(Cl)cc1 ZINC000351592355 1127195996 /nfs/dbraw/zinc/19/59/96/1127195996.db2.gz KAUYJWPUCYMKJZ-WEXHZKPASA-N 0 1 275.779 3.549 20 0 CHADMN Cc1n[nH]cc1C1CCN(Cc2ccc(Cl)s2)CC1 ZINC000572228848 1127196380 /nfs/dbraw/zinc/19/63/80/1127196380.db2.gz OJYFPODDEIIWJF-UHFFFAOYSA-N 0 1 295.839 3.813 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN2CCC(F)(F)[C@@H](C)C2)o1 ZINC000572296718 1127197206 /nfs/dbraw/zinc/19/72/06/1127197206.db2.gz QNEFYUNKTWMKJK-NTZNESFSSA-N 0 1 269.335 3.880 20 0 CHADMN CSCc1cnc(CN2C[C@@H]3CCCC[C@@H]3C2)s1 ZINC000351601531 1127197429 /nfs/dbraw/zinc/19/74/29/1127197429.db2.gz IAJUCBGDLRUTEW-TXEJJXNPSA-N 0 1 282.478 3.628 20 0 CHADMN CC[C@H](C)c1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1 ZINC000760710443 1127200023 /nfs/dbraw/zinc/20/00/23/1127200023.db2.gz HIMHKZYJUFWWDY-NSHDSACASA-N 0 1 294.358 3.724 20 0 CHADMN C[C@@H]1[C@H](C)SCCN1Cc1cccc(OC(C)(C)C)n1 ZINC000351685533 1127203699 /nfs/dbraw/zinc/20/36/99/1127203699.db2.gz NHNHLXCIXSLIRL-OLZOCXBDSA-N 0 1 294.464 3.585 20 0 CHADMN CSCC[C@H](C)N(C)Cc1cccc(O)c1Cl ZINC000351638806 1127200521 /nfs/dbraw/zinc/20/05/21/1127200521.db2.gz ANLFIMCSQJGBAJ-JTQLQIEISA-N 0 1 273.829 3.619 20 0 CHADMN CSCC[C@H](C)[N@H+](C)Cc1cccc([O-])c1Cl ZINC000351638806 1127200524 /nfs/dbraw/zinc/20/05/24/1127200524.db2.gz ANLFIMCSQJGBAJ-JTQLQIEISA-N 0 1 273.829 3.619 20 0 CHADMN CSCC[C@H](C)[N@@H+](C)Cc1cccc([O-])c1Cl ZINC000351638806 1127200527 /nfs/dbraw/zinc/20/05/27/1127200527.db2.gz ANLFIMCSQJGBAJ-JTQLQIEISA-N 0 1 273.829 3.619 20 0 CHADMN CSC[C@H](C)N[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000284748907 1127204078 /nfs/dbraw/zinc/20/40/78/1127204078.db2.gz FDHJDGNLPCGDIT-LRDDRELGSA-N 0 1 290.407 3.651 20 0 CHADMN CCc1ccc(-c2noc(CN3CCC(C)(C)CC3)n2)cc1 ZINC000588905007 1127204215 /nfs/dbraw/zinc/20/42/15/1127204215.db2.gz RODRRQUUBWODDB-UHFFFAOYSA-N 0 1 299.418 3.921 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CCC(C)(C)CC1 ZINC000588905063 1127204234 /nfs/dbraw/zinc/20/42/34/1127204234.db2.gz WEBDMAZTXCDSKH-UHFFFAOYSA-N 0 1 288.435 3.871 20 0 CHADMN Cc1ccccc1CN(CC1(Br)CC1)C1CC1 ZINC001307436210 1127205929 /nfs/dbraw/zinc/20/59/29/1127205929.db2.gz YRQYLUOOVVTZGG-UHFFFAOYSA-N 0 1 294.236 3.887 20 0 CHADMN CCC(C)(C)c1ccc(CN(C)[C@@H](C)C[S@@](C)=O)cc1 ZINC000351719475 1127206070 /nfs/dbraw/zinc/20/60/70/1127206070.db2.gz MGRCLWBCJSBLBP-VBKZILBWSA-N 0 1 295.492 3.573 20 0 CHADMN C[C@]12CCN(Cc3cccs3)C[C@H]1C2(Cl)Cl ZINC000284862374 1127209295 /nfs/dbraw/zinc/20/92/95/1127209295.db2.gz SEAMIUNYLVOHJG-MNOVXSKESA-N 0 1 276.232 3.764 20 0 CHADMN Clc1ccsc1CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000284811040 1127207189 /nfs/dbraw/zinc/20/71/89/1127207189.db2.gz PEUMMQMLVXQMLX-VXGBXAGGSA-N 0 1 271.813 3.545 20 0 CHADMN Cc1oc2ccccc2c1CN[C@@H](CO)c1ccsc1 ZINC000351880266 1127212885 /nfs/dbraw/zinc/21/28/85/1127212885.db2.gz KBKFJMNFPDMAPP-HNNXBMFYSA-N 0 1 287.384 3.626 20 0 CHADMN C[C@H]1CN(Cc2cc(F)cc3cccnc32)CCC1(F)F ZINC000352006570 1127215121 /nfs/dbraw/zinc/21/51/21/1127215121.db2.gz JIDXKGZFSKEFST-NSHDSACASA-N 0 1 294.320 3.851 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2C[C@H](c3ccccc3)C2)no1 ZINC000285082116 1127217050 /nfs/dbraw/zinc/21/70/50/1127217050.db2.gz JQIAUFOSPKYQLP-QEJZJMRPSA-N 0 1 256.349 3.580 20 0 CHADMN Cc1cc([C@@H](C)NCCCc2cccc(Cl)c2)no1 ZINC000285162408 1127218769 /nfs/dbraw/zinc/21/87/69/1127218769.db2.gz MPPKANQQVSODMU-GFCCVEGCSA-N 0 1 278.783 3.920 20 0 CHADMN CC(C)OCCCN(C)Cc1cc(-c2ccccc2)on1 ZINC000285164313 1127218820 /nfs/dbraw/zinc/21/88/20/1127218820.db2.gz UUJCMYLVKGORGZ-UHFFFAOYSA-N 0 1 288.391 3.589 20 0 CHADMN CC(C)Sc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000572609212 1127221253 /nfs/dbraw/zinc/22/12/53/1127221253.db2.gz GEYMMVCUPFTINH-CQSZACIVSA-N 0 1 293.432 3.626 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000285382128 1127225394 /nfs/dbraw/zinc/22/53/94/1127225394.db2.gz WKVOXNGOBRGXTQ-WDEREUQCSA-N 0 1 261.394 3.543 20 0 CHADMN Oc1cccnc1C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000572682662 1127224471 /nfs/dbraw/zinc/22/44/71/1127224471.db2.gz PRROFPGIYRWFMB-QGZVFWFLSA-N 0 1 282.387 3.905 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000572682662 1127224475 /nfs/dbraw/zinc/22/44/75/1127224475.db2.gz PRROFPGIYRWFMB-QGZVFWFLSA-N 0 1 282.387 3.905 20 0 CHADMN [O-]c1cccnc1C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000572682662 1127224479 /nfs/dbraw/zinc/22/44/79/1127224479.db2.gz PRROFPGIYRWFMB-QGZVFWFLSA-N 0 1 282.387 3.905 20 0 CHADMN Cc1ccc(C)c([C@H](C)[N@@H+](C)Cc2ccc(C(=O)[O-])cn2)c1 ZINC000572728998 1127225310 /nfs/dbraw/zinc/22/53/10/1127225310.db2.gz JZADKGDKCDGTQC-AWEZNQCLSA-N 0 1 298.386 3.590 20 0 CHADMN c1cc(CN2CCO[C@H]3CCC[C@H]32)cc(-c2ccncc2)c1 ZINC000352388638 1127228320 /nfs/dbraw/zinc/22/83/20/1127228320.db2.gz SZDZJCRBMIYVKH-MOPGFXCFSA-N 0 1 294.398 3.502 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000352397967 1127228386 /nfs/dbraw/zinc/22/83/86/1127228386.db2.gz NCXQRRVHZCMDPG-ABAIWWIYSA-N 0 1 293.773 3.684 20 0 CHADMN CSCc1ccc(CNCc2ccnn2C(C)C)cc1 ZINC000285475127 1127231560 /nfs/dbraw/zinc/23/15/60/1127231560.db2.gz KZORFFSQKNOFIG-UHFFFAOYSA-N 0 1 289.448 3.617 20 0 CHADMN CC[C@@H](NCc1cc(C)n[nH]1)c1cccc(Cl)c1 ZINC000589640277 1127231845 /nfs/dbraw/zinc/23/18/45/1127231845.db2.gz HGIFDCYZFYCSHI-CQSZACIVSA-N 0 1 263.772 3.612 20 0 CHADMN CC[C@@H](NCc1cc(C)[nH]n1)c1ccccc1OC(F)F ZINC000589639360 1127232004 /nfs/dbraw/zinc/23/20/04/1127232004.db2.gz BPXGYLIGVJUAOS-CYBMUJFWSA-N 0 1 295.333 3.560 20 0 CHADMN CC[C@@H](NCc1cc(C)n[nH]1)c1ccccc1OC(F)F ZINC000589639360 1127232007 /nfs/dbraw/zinc/23/20/07/1127232007.db2.gz BPXGYLIGVJUAOS-CYBMUJFWSA-N 0 1 295.333 3.560 20 0 CHADMN CCCc1ccc(CNCc2c(C)cc(C)nc2OC)cc1 ZINC000589652532 1127233564 /nfs/dbraw/zinc/23/35/64/1127233564.db2.gz VRTPSPKWYUIEOR-UHFFFAOYSA-N 0 1 298.430 3.949 20 0 CHADMN c1c[nH]c([C@H](NCc2ccccc2)C2CCCCC2)n1 ZINC000285543625 1127236569 /nfs/dbraw/zinc/23/65/69/1127236569.db2.gz GDKOYCAENJRHEK-MRXNPFEDSA-N 0 1 269.392 3.821 20 0 CHADMN Fc1ccc(CN[C@H](c2ncc[nH]2)C2CCCCC2)cc1 ZINC000285760654 1127242272 /nfs/dbraw/zinc/24/22/72/1127242272.db2.gz SFMSJWHYKNECJN-INIZCTEOSA-N 0 1 287.382 3.960 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000285820330 1127243939 /nfs/dbraw/zinc/24/39/39/1127243939.db2.gz WHSKFKNXPXMLHZ-ZIAGYGMSSA-N 0 1 298.386 3.573 20 0 CHADMN CCOCc1ccc(CN[C@@H](C)c2cc(C)ccn2)cc1 ZINC000285827518 1127244144 /nfs/dbraw/zinc/24/41/44/1127244144.db2.gz WSKVUGJENUOPGB-HNNXBMFYSA-N 0 1 284.403 3.777 20 0 CHADMN Cc1cc(Cl)cc(CN2CCOCC3(CCC3)C2)c1 ZINC000352901364 1127249585 /nfs/dbraw/zinc/24/95/85/1127249585.db2.gz KEMYXYOMUWJKJA-UHFFFAOYSA-N 0 1 279.811 3.651 20 0 CHADMN CS[C@@H](C[NH2+]Cc1cccc([O-])c1Cl)C(C)(C)C ZINC000590188596 1127250584 /nfs/dbraw/zinc/25/05/84/1127250584.db2.gz ZROZDGQLIICFJF-LBPRGKRZSA-N 0 1 287.856 3.913 20 0 CHADMN COc1cccc(C2=CCN(Cc3occc3C)CC2)c1 ZINC000352949633 1127252864 /nfs/dbraw/zinc/25/28/64/1127252864.db2.gz YAZHMKRDIUPIIL-UHFFFAOYSA-N 0 1 283.371 3.886 20 0 CHADMN COCc1cc(CN[C@H](C)c2cc(C)ccn2)ccc1F ZINC000286017695 1127253501 /nfs/dbraw/zinc/25/35/01/1127253501.db2.gz JNPBZZXAMYRBAL-CYBMUJFWSA-N 0 1 288.366 3.526 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2ccc3occc3c2)n[nH]1 ZINC000286019501 1127253900 /nfs/dbraw/zinc/25/39/00/1127253900.db2.gz PSLWFBMLHGOHIH-RYUDHWBXSA-N 0 1 298.390 3.915 20 0 CHADMN COC(=O)CCC[C@H]1CCC[C@@H](NC(C)(C)C(F)F)C1 ZINC000590366784 1127256917 /nfs/dbraw/zinc/25/69/17/1127256917.db2.gz OTMCQUCKCMYFQV-VXGBXAGGSA-N 0 1 291.382 3.522 20 0 CHADMN CO[C@@H]1CCC[C@H]1N[C@@H](c1ccco1)c1ccccc1 ZINC000224422365 1127262039 /nfs/dbraw/zinc/26/20/39/1127262039.db2.gz IRTJNFSXURFCBL-BFYDXBDKSA-N 0 1 271.360 3.526 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@@H](C)c2cccc(O)c2)c1 ZINC000286281749 1127264725 /nfs/dbraw/zinc/26/47/25/1127264725.db2.gz VSXLCHASSPKHBM-QWHCGFSZSA-N 0 1 256.349 3.507 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1ncc(CSC)s1 ZINC000353516280 1127269333 /nfs/dbraw/zinc/26/93/33/1127269333.db2.gz GOGSRBPEROCFPL-QWRGUYRKSA-N 0 1 270.467 3.769 20 0 CHADMN Clc1ccc(CNCc2ccc3cc[nH]c3n2)cc1 ZINC000353242248 1127265645 /nfs/dbraw/zinc/26/56/45/1127265645.db2.gz NKQSXJMAXFPPMB-UHFFFAOYSA-N 0 1 271.751 3.506 20 0 CHADMN COC(=O)c1cccc(CN2CCC3(CC3)CC2)c1Cl ZINC000590710263 1127269108 /nfs/dbraw/zinc/26/91/08/1127269108.db2.gz JDRNPKFKEWFJHD-UHFFFAOYSA-N 0 1 293.794 3.503 20 0 CHADMN Cc1cc(C)n(CCN(C)[C@@H](C)c2ccccc2Cl)n1 ZINC000068810811 1127269295 /nfs/dbraw/zinc/26/92/95/1127269295.db2.gz RUBHMPHQSIGZNF-AWEZNQCLSA-N 0 1 291.826 3.846 20 0 CHADMN Oc1cc(F)c(-c2ccnc3ncccc23)cc1Cl ZINC000718645919 1127271813 /nfs/dbraw/zinc/27/18/13/1127271813.db2.gz MAFKVIIOCICJNL-UHFFFAOYSA-N 0 1 274.682 3.795 20 0 CHADMN Cc1cccc2ncc(CN3Cc4ccccc4C[C@H]3C)n21 ZINC000353663606 1127272716 /nfs/dbraw/zinc/27/27/16/1127272716.db2.gz DGQXRZKWBOWURQ-OAHLLOKOSA-N 0 1 291.398 3.590 20 0 CHADMN Cc1ccccc1CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000353718607 1127273698 /nfs/dbraw/zinc/27/36/98/1127273698.db2.gz NKYFSOWUTKXNCK-QGZVFWFLSA-N 0 1 266.388 3.973 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(Cl)nc2)cc(C)n1 ZINC000817588777 1131174295 /nfs/dbraw/zinc/17/42/95/1131174295.db2.gz KGAOSXYIAVBFAO-GFCCVEGCSA-N 0 1 275.783 3.598 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)Nc2cc(F)cc(Cl)c2O)C1 ZINC000353894103 1127276473 /nfs/dbraw/zinc/27/64/73/1127276473.db2.gz MEWJLSHBOVOJHN-SFYZADRCSA-N 0 1 271.719 3.559 20 0 CHADMN CC(C)Sc1ccc([C@H](C)NCc2cn[nH]c2)cc1 ZINC000590881700 1127277170 /nfs/dbraw/zinc/27/71/70/1127277170.db2.gz BSQONPBIUHVKQV-LBPRGKRZSA-N 0 1 275.421 3.761 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](c2nccn2C)C2CC2)c(C)s1 ZINC000353924281 1127278913 /nfs/dbraw/zinc/27/89/13/1127278913.db2.gz PXCIENPHTRIKLJ-IAQYHMDHSA-N 0 1 289.448 3.900 20 0 CHADMN C[C@H](N[C@H]1CC(C)(C)CCc2ccccc21)c1nncn1C ZINC000286980729 1127279844 /nfs/dbraw/zinc/27/98/44/1127279844.db2.gz PWBLSMDQNQNAKQ-BBRMVZONSA-N 0 1 298.434 3.570 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC[C@H](n2ccnc2)C1 ZINC000591083200 1127285270 /nfs/dbraw/zinc/28/52/70/1127285270.db2.gz QVCGHBKNOXVOEM-OCCSQVGLSA-N 0 1 291.345 3.559 20 0 CHADMN CCn1cc(CN[C@@H](c2ccc(C)o2)C2CCCC2)cn1 ZINC000353973482 1127282538 /nfs/dbraw/zinc/28/25/38/1127282538.db2.gz QGAAJPQXGOEMNM-QGZVFWFLSA-N 0 1 287.407 3.826 20 0 CHADMN Cc1ccnc([C@H](C)N[C@@H](C)c2ccc3n[nH]cc3c2)c1 ZINC000353969608 1127282696 /nfs/dbraw/zinc/28/26/96/1127282696.db2.gz BMQTZCZGNDYWFL-STQMWFEESA-N 0 1 280.375 3.678 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2n[nH]cc2c1)c1ccc(F)cn1 ZINC000353995367 1127283883 /nfs/dbraw/zinc/28/38/83/1127283883.db2.gz HXJORBBNJLVZAG-WDEREUQCSA-N 0 1 284.338 3.509 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc2n[nH]cc2c1)c1ccco1 ZINC000353996342 1127283977 /nfs/dbraw/zinc/28/39/77/1127283977.db2.gz OLQJKDNOZUYVHY-QWRGUYRKSA-N 0 1 255.321 3.568 20 0 CHADMN COCc1ccc(CN2C[C@H](C)[C@@H]2c2ccccc2)o1 ZINC000354045193 1127288532 /nfs/dbraw/zinc/28/85/32/1127288532.db2.gz RJUYZYVKLGGYGO-SUMWQHHRSA-N 0 1 271.360 3.619 20 0 CHADMN CC(C)[C@H]1CCC[C@H](NCc2nccc(C(F)F)n2)C1 ZINC000287108763 1127289127 /nfs/dbraw/zinc/28/91/27/1127289127.db2.gz QLTWRKRSSLIKLH-RYUDHWBXSA-N 0 1 283.366 3.719 20 0 CHADMN Oc1cc(F)cc(CN2CC[C@@H](c3ccccc3F)C2)c1 ZINC000354125338 1127295179 /nfs/dbraw/zinc/29/51/79/1127295179.db2.gz DOUCOYBMSIWCQT-CYBMUJFWSA-N 0 1 289.325 3.660 20 0 CHADMN COCCN(Cc1ccc(C)o1)Cc1cc(C)sc1C ZINC000354128235 1127295524 /nfs/dbraw/zinc/29/55/24/1127295524.db2.gz SKHACNVFALVXFN-UHFFFAOYSA-N 0 1 293.432 3.915 20 0 CHADMN c1csc(N2CCN(Cc3coc4ccccc34)CC2)c1 ZINC000354130520 1127295606 /nfs/dbraw/zinc/29/56/06/1127295606.db2.gz LHBWEOZXMNBZFV-UHFFFAOYSA-N 0 1 298.411 3.817 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccc(Cl)cc1)c1ccncc1 ZINC000287206094 1127296619 /nfs/dbraw/zinc/29/66/19/1127296619.db2.gz WPCBALPWGNIOMS-LRDDRELGSA-N 0 1 290.794 3.509 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2cnc(Cl)s2)C1 ZINC000166685073 1127302920 /nfs/dbraw/zinc/30/29/20/1127302920.db2.gz OMEGMQMIAYWLCW-BBBLOLIVSA-N 0 1 258.818 3.663 20 0 CHADMN C[C@H](NC[C@@H]1C[C@H]1C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000573249269 1127304156 /nfs/dbraw/zinc/30/41/56/1127304156.db2.gz CAJABHTYOAGIIO-SCVCMEIPSA-N 0 1 291.782 3.697 20 0 CHADMN CCO[C@H](c1noc(-c2ccc(Cl)cc2O)n1)C(C)C ZINC000157402515 1127308399 /nfs/dbraw/zinc/30/83/99/1127308399.db2.gz DFZGBLMWSUBHSD-LBPRGKRZSA-N 0 1 296.754 3.829 20 0 CHADMN Cc1ccc([C@H](NCCOC2CCC2)c2ccccn2)cc1 ZINC000287916815 1127314960 /nfs/dbraw/zinc/31/49/60/1127314960.db2.gz VWRAWLWVCADBAO-IBGZPJMESA-N 0 1 296.414 3.638 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000573571406 1127319270 /nfs/dbraw/zinc/31/92/70/1127319270.db2.gz ARLITBXIQHNBLQ-KRWDZBQOSA-N 0 1 293.382 3.926 20 0 CHADMN CCCn1c2ccccc2nc1C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000355142155 1127320380 /nfs/dbraw/zinc/32/03/80/1127320380.db2.gz ZRAFBUYLBIGGDS-KGLIPLIRSA-N 0 1 271.408 3.677 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000573699698 1127327523 /nfs/dbraw/zinc/32/75/23/1127327523.db2.gz PVOJKBIFSXPXEW-MLGOLLRUSA-N 0 1 293.382 3.925 20 0 CHADMN CS[C@@H]1CCCCN(Cc2ccc(F)cc2F)C1 ZINC000355231433 1127327839 /nfs/dbraw/zinc/32/78/39/1127327839.db2.gz BICFGIHCDNEUBW-CYBMUJFWSA-N 0 1 271.376 3.682 20 0 CHADMN C[C@@H](c1cccs1)N(C)CC[S@@](=O)c1ccccc1 ZINC000355268457 1127329707 /nfs/dbraw/zinc/32/97/07/1127329707.db2.gz TXKYYBRKKKGEJD-ORAYPTAESA-N 0 1 293.457 3.549 20 0 CHADMN C[C@@H](CCN1CCC=C(F)C1)OCc1ccccc1 ZINC000355276300 1127330142 /nfs/dbraw/zinc/33/01/42/1127330142.db2.gz BJGARRVXFZPUEY-AWEZNQCLSA-N 0 1 263.356 3.541 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1nc2ccc(F)cc2o1 ZINC000466820947 1127331402 /nfs/dbraw/zinc/33/14/02/1127331402.db2.gz FEEMFYJMGZGCDP-LBPRGKRZSA-N 0 1 262.328 3.731 20 0 CHADMN CC[C@H]1CCCCN1Cc1nc2ccc(F)cc2o1 ZINC000466820947 1127331405 /nfs/dbraw/zinc/33/14/05/1127331405.db2.gz FEEMFYJMGZGCDP-LBPRGKRZSA-N 0 1 262.328 3.731 20 0 CHADMN C=Cn1cc(CN2CC=C(c3cccc(Cl)c3)CC2)cn1 ZINC000355411879 1127340236 /nfs/dbraw/zinc/34/02/36/1127340236.db2.gz KMYRVQNWYSIBER-UHFFFAOYSA-N 0 1 299.805 3.926 20 0 CHADMN Cc1cc(CN(C)Cc2cnccc2C)c(C)s1 ZINC000355576339 1127350892 /nfs/dbraw/zinc/35/08/92/1127350892.db2.gz BRLOJJZYSCTRDU-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC[C@]2(CCCOC2)C1 ZINC000355779846 1127364177 /nfs/dbraw/zinc/36/41/77/1127364177.db2.gz HDXSCNNCMWYMMJ-GUYCJALGSA-N 0 1 295.373 3.918 20 0 CHADMN C[C@@H](c1ccccn1)N(C)CCOc1cccc(Cl)c1 ZINC000355730722 1127361807 /nfs/dbraw/zinc/36/18/07/1127361807.db2.gz PIGXTZDGTVVHNO-ZDUSSCGKSA-N 0 1 290.794 3.807 20 0 CHADMN c1nc2cc(-c3noc(C4=CCCCC4)n3)ccc2[nH]1 ZINC000288938590 1127368053 /nfs/dbraw/zinc/36/80/53/1127368053.db2.gz FOICATBCCQVYEQ-UHFFFAOYSA-N 0 1 266.304 3.570 20 0 CHADMN COc1ccccc1[C@@H](NCC1(C)CC1)c1ccccn1 ZINC000925494619 1127382896 /nfs/dbraw/zinc/38/28/96/1127382896.db2.gz PZJFBKYQRASNFI-QGZVFWFLSA-N 0 1 282.387 3.569 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C)CC2)c(F)c1 ZINC000357391375 1127390352 /nfs/dbraw/zinc/39/03/52/1127390352.db2.gz ORRZVSOUEPEZPX-TZMCWYRMSA-N 0 1 292.398 3.583 20 0 CHADMN C[C@@H](NCc1cccc(OC(F)F)c1)c1cncs1 ZINC000358141633 1127403605 /nfs/dbraw/zinc/40/36/05/1127403605.db2.gz ZQTTXMZFUXPZKO-SECBINFHSA-N 0 1 284.331 3.595 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](CO)c2cccc(F)c2)c(C)s1 ZINC000358154947 1127405068 /nfs/dbraw/zinc/40/50/68/1127405068.db2.gz IOLVMIBQUSMHLC-BDJLRTHQSA-N 0 1 293.407 3.888 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](C)c2ccc(F)cc2Cl)n[nH]1 ZINC000358253973 1127411401 /nfs/dbraw/zinc/41/14/01/1127411401.db2.gz XZHZKGFEMAOATD-RKDXNWHRSA-N 0 1 296.777 3.571 20 0 CHADMN COC[C@H](N[C@@H](C)c1ccsc1)c1ccc(F)cc1 ZINC000358200567 1127408220 /nfs/dbraw/zinc/40/82/20/1127408220.db2.gz ITNSJLNIHNMWHA-NHYWBVRUSA-N 0 1 279.380 3.926 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](C)c2cc(C)c(F)c(C)c2)n[nH]1 ZINC000358251711 1127410776 /nfs/dbraw/zinc/41/07/76/1127410776.db2.gz RAPLDDQTSYPFRK-RYUDHWBXSA-N 0 1 290.386 3.535 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnccc1C)c1c(C)noc1C ZINC000358353309 1127417080 /nfs/dbraw/zinc/41/70/80/1127417080.db2.gz KFQUHULZRHAERG-NHYWBVRUSA-N 0 1 273.380 3.797 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@@H](c2cccnc2)C2CC2)cn1 ZINC000358353482 1127417178 /nfs/dbraw/zinc/41/71/78/1127417178.db2.gz OPDJJVZHGNOVTF-SUMWQHHRSA-N 0 1 284.407 3.661 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnccc1C)c1c(C)noc1C ZINC000358353308 1127417188 /nfs/dbraw/zinc/41/71/88/1127417188.db2.gz KFQUHULZRHAERG-IAQYHMDHSA-N 0 1 273.380 3.797 20 0 CHADMN CC[C@@H](N[C@@H]1CCc2cccnc21)c1ccccc1OC ZINC000226807870 1127426626 /nfs/dbraw/zinc/42/66/26/1127426626.db2.gz XWPYQQSIWCDBMZ-HZPDHXFCSA-N 0 1 282.387 3.818 20 0 CHADMN Fc1ccc(CN[C@@H]2CCc3cccnc32)cc1Cl ZINC000226819138 1127426882 /nfs/dbraw/zinc/42/68/82/1127426882.db2.gz BOINYYJNBBGKHN-CQSZACIVSA-N 0 1 276.742 3.651 20 0 CHADMN Cc1ccnc(NCCc2c[nH]c3ccccc23)c1 ZINC000358839762 1127435454 /nfs/dbraw/zinc/43/54/54/1127435454.db2.gz LLKVRXXIVCCANB-UHFFFAOYSA-N 0 1 251.333 3.526 20 0 CHADMN CCn1ncnc1CN[C@H](c1ccc(C)cc1)C1CCCC1 ZINC000359066620 1127447605 /nfs/dbraw/zinc/44/76/05/1127447605.db2.gz IYVIXPJQELIJCU-SFHVURJKSA-N 0 1 298.434 3.628 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1cccn1C)[C@H]2C ZINC000359302778 1127457166 /nfs/dbraw/zinc/45/71/66/1127457166.db2.gz UGKCNAMZDPFARD-KGLIPLIRSA-N 0 1 284.403 3.542 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1ccncc1)[C@@H]2C ZINC000359292727 1127456737 /nfs/dbraw/zinc/45/67/37/1127456737.db2.gz MPMQGGGOTCWLST-UONOGXRCSA-N 0 1 282.387 3.598 20 0 CHADMN C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[C@H]2C[C@H]21 ZINC000761101206 1127457685 /nfs/dbraw/zinc/45/76/85/1127457685.db2.gz YUZBVHQDSBPFTE-GBIKHYSHSA-N 0 1 289.766 3.545 20 0 CHADMN COc1ccnc(CN2CCC[C@H]2c2ccc(C)cc2)c1 ZINC000359379603 1127460616 /nfs/dbraw/zinc/46/06/16/1127460616.db2.gz ALWDQRWDXMOEQP-SFHVURJKSA-N 0 1 282.387 3.736 20 0 CHADMN Cc1nc2c(n1Cc1cc(F)cc3cccnc31)CCCC2 ZINC000575073211 1127461070 /nfs/dbraw/zinc/46/10/70/1127461070.db2.gz VOEHVOHSJZOOMT-UHFFFAOYSA-N 0 1 295.361 3.806 20 0 CHADMN C(c1noc2c1CCCC2)N(C1CC1)C1CCCCC1 ZINC000595563687 1127465663 /nfs/dbraw/zinc/46/56/63/1127465663.db2.gz AKYJKUWOOFCOHB-UHFFFAOYSA-N 0 1 274.408 3.851 20 0 CHADMN C[C@@H](NCc1cc(F)cc(F)c1)c1ccc2c(c1)COC2 ZINC000359660535 1127471656 /nfs/dbraw/zinc/47/16/56/1127471656.db2.gz CWTWZRAFUYCISR-LLVKDONJSA-N 0 1 289.325 3.846 20 0 CHADMN CC(C)OC(=O)CCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595676594 1127471914 /nfs/dbraw/zinc/47/19/14/1127471914.db2.gz QEKVEYYLUFKYNK-INIZCTEOSA-N 0 1 291.391 3.538 20 0 CHADMN Cc1cccc2nc(CNCc3ccsc3Cl)[nH]c21 ZINC000359683327 1127472808 /nfs/dbraw/zinc/47/28/08/1127472808.db2.gz IJGOFKGUIDRWBT-UHFFFAOYSA-N 0 1 291.807 3.876 20 0 CHADMN CC[C@@H](C)CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000359794194 1127478165 /nfs/dbraw/zinc/47/81/65/1127478165.db2.gz QAXYUSUDPMRWOD-SSDOTTSWSA-N 0 1 259.708 3.559 20 0 CHADMN C[C@H]1CCCC[N@@H+](Cc2nc(C3CC3)cs2)C1 ZINC000360612439 1127502550 /nfs/dbraw/zinc/50/25/50/1127502550.db2.gz JNECMALHOVSPMP-NSHDSACASA-N 0 1 250.411 3.643 20 0 CHADMN C[C@H]1CCCCN(Cc2nc(C3CC3)cs2)C1 ZINC000360612439 1127502551 /nfs/dbraw/zinc/50/25/51/1127502551.db2.gz JNECMALHOVSPMP-NSHDSACASA-N 0 1 250.411 3.643 20 0 CHADMN CC(C)C[C@H]1OCCC[C@H]1NCc1nc(C2CC2)cs1 ZINC000360724608 1127508626 /nfs/dbraw/zinc/50/86/26/1127508626.db2.gz DALFRNXIHXVREU-UKRRQHHQSA-N 0 1 294.464 3.704 20 0 CHADMN CC(C)c1cnc(CN(C)[C@@H](C)Cc2ccc(O)cc2)o1 ZINC000761173568 1127505091 /nfs/dbraw/zinc/50/50/91/1127505091.db2.gz RBLBDWJIXKXPKP-ZDUSSCGKSA-N 0 1 288.391 3.567 20 0 CHADMN Cc1cc(N2C[C@@H](C)OC(C)(C)C2)c2cc(F)ccc2n1 ZINC000360668741 1127505412 /nfs/dbraw/zinc/50/54/12/1127505412.db2.gz KEQASILAWVOBIF-GFCCVEGCSA-N 0 1 288.366 3.686 20 0 CHADMN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc2[nH]cnc21 ZINC000360692380 1127505932 /nfs/dbraw/zinc/50/59/32/1127505932.db2.gz ZMBJCAQUQPOARB-QWHCGFSZSA-N 0 1 299.418 3.850 20 0 CHADMN CCn1cc([C@@H](C)NCc2ccc(C(C)(F)F)cc2)cn1 ZINC000293575782 1127506628 /nfs/dbraw/zinc/50/66/28/1127506628.db2.gz BSKFBICQXIGMBO-GFCCVEGCSA-N 0 1 293.361 3.866 20 0 CHADMN Cc1nocc1CNCc1ccc(OC2CCCC2)cc1 ZINC000293576044 1127507130 /nfs/dbraw/zinc/50/71/30/1127507130.db2.gz NIMCZMRFCJHZAA-UHFFFAOYSA-N 0 1 286.375 3.594 20 0 CHADMN COc1cc(C)nc(CNC(C)(C)c2ccccc2C)c1 ZINC000293592843 1127507852 /nfs/dbraw/zinc/50/78/52/1127507852.db2.gz IPDXAEHGGBEDET-UHFFFAOYSA-N 0 1 284.403 3.732 20 0 CHADMN COc1ccc(F)c(CNC2(c3ccccc3)CC2)c1 ZINC000293623591 1127509478 /nfs/dbraw/zinc/50/94/78/1127509478.db2.gz QNIMSDSAEFZEDW-UHFFFAOYSA-N 0 1 271.335 3.613 20 0 CHADMN Cc1nocc1CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000293665477 1127511086 /nfs/dbraw/zinc/51/10/86/1127511086.db2.gz UJGGLOLCTRFHKY-INIZCTEOSA-N 0 1 274.339 3.753 20 0 CHADMN Clc1csc(CN2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000293659363 1127511616 /nfs/dbraw/zinc/51/16/16/1127511616.db2.gz NTBNFSGYRLGPDH-CQSZACIVSA-N 0 1 297.851 3.793 20 0 CHADMN Cn1cccc1CN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000360792281 1127512112 /nfs/dbraw/zinc/51/21/12/1127512112.db2.gz KQLDETLQIADHSH-HNNXBMFYSA-N 0 1 290.794 3.682 20 0 CHADMN COCC1=CCN([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000360795200 1127512383 /nfs/dbraw/zinc/51/23/83/1127512383.db2.gz GFQFOMSVDBCUPK-INIZCTEOSA-N 0 1 277.795 3.606 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cccc3c1OCCO3)CC2 ZINC000596690716 1127515026 /nfs/dbraw/zinc/51/50/26/1127515026.db2.gz UHFBWFUCZNNEEK-KRWDZBQOSA-N 0 1 295.382 3.543 20 0 CHADMN Cn1ncc2c1CCC[C@@H]2NCc1ccc(C2CC2)cc1F ZINC000293734145 1127516431 /nfs/dbraw/zinc/51/64/31/1127516431.db2.gz QFBUCTNYTOCEDW-KRWDZBQOSA-N 0 1 299.393 3.604 20 0 CHADMN CC[C@H](c1cccc(OC)c1)N(C)Cc1conc1C ZINC000293793475 1127520992 /nfs/dbraw/zinc/52/09/92/1127520992.db2.gz CSYLYHMVZFNFIG-MRXNPFEDSA-N 0 1 274.364 3.575 20 0 CHADMN c1n[nH]cc1CN1CCc2ccccc2[C@H]1c1ccccc1 ZINC000646261985 1127523376 /nfs/dbraw/zinc/52/33/76/1127523376.db2.gz GCILRTWXEWKRJW-LJQANCHMSA-N 0 1 289.382 3.557 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H]2CCC3(CCCCC3)O2)cs1 ZINC000360994599 1127527691 /nfs/dbraw/zinc/52/76/91/1127527691.db2.gz FVFZXFLQFGFADE-JSGCOSHPSA-N 0 1 294.464 3.984 20 0 CHADMN CCc1ncc(CN2CCC[C@@H](C(F)(F)F)[C@@H]2C)s1 ZINC000361142366 1127541763 /nfs/dbraw/zinc/54/17/63/1127541763.db2.gz PVTCRXZTDKNPAK-GXSJLCMTSA-N 0 1 292.370 3.868 20 0 CHADMN CCCC[C@H](COC)N[C@H]1CCOc2c(F)ccc(F)c21 ZINC000361182260 1127544591 /nfs/dbraw/zinc/54/45/91/1127544591.db2.gz XTRMQCGSZYZUEQ-RISCZKNCSA-N 0 1 299.361 3.583 20 0 CHADMN CCCC[C@@H](COC)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000361182261 1127544735 /nfs/dbraw/zinc/54/47/35/1127544735.db2.gz XTRMQCGSZYZUEQ-SMDDNHRTSA-N 0 1 299.361 3.583 20 0 CHADMN CC[C@@H](NCc1cccc(CO)c1)c1ccc(F)cc1F ZINC000361184478 1127545151 /nfs/dbraw/zinc/54/51/51/1127545151.db2.gz QUWDSVSVDMODBQ-QGZVFWFLSA-N 0 1 291.341 3.698 20 0 CHADMN COc1ccncc1CN[C@@H](C)c1cc(C)c(C)cc1C ZINC000294057014 1127546290 /nfs/dbraw/zinc/54/62/90/1127546290.db2.gz GVYJECSLRDIFAK-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN FC(F)(F)c1cncc(CN2CCC[C@@H](C3CC3)C2)c1 ZINC000361395499 1127560472 /nfs/dbraw/zinc/56/04/72/1127560472.db2.gz ONFXNWDSYFYKDU-CYBMUJFWSA-N 0 1 284.325 3.722 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CCC[C@H](C(C)(C)C)C1 ZINC000361549333 1127571031 /nfs/dbraw/zinc/57/10/31/1127571031.db2.gz NPCJZDPFAXPQAU-AAEUAGOBSA-N 0 1 277.412 3.766 20 0 CHADMN Cc1noc([C@H](C)N[C@@H]2CCC[C@@H]2CCC(C)C)n1 ZINC000361607081 1127576624 /nfs/dbraw/zinc/57/66/24/1127576624.db2.gz BMPKACMADPGFGN-IACUBPJLSA-N 0 1 265.401 3.634 20 0 CHADMN C[C@@H]1CCN(Cc2ccsc2Cl)C[C@H]1n1ccnc1 ZINC000361557726 1127572150 /nfs/dbraw/zinc/57/21/50/1127572150.db2.gz SCKKDSFWTZEQLI-DGCLKSJQSA-N 0 1 295.839 3.681 20 0 CHADMN C[C@H]1CCSCCN1Cc1cc(F)cc(Cl)c1 ZINC000361643021 1127578074 /nfs/dbraw/zinc/57/80/74/1127578074.db2.gz LDLSDKXWWYVBHO-JTQLQIEISA-N 0 1 273.804 3.807 20 0 CHADMN COCCN(Cc1csc(C(C)C)n1)[C@H]1CC[C@@H](C)C1 ZINC000361646087 1127578752 /nfs/dbraw/zinc/57/87/52/1127578752.db2.gz UNTWBPLYXWDYLR-HIFRSBDPSA-N 0 1 296.480 3.904 20 0 CHADMN COCCN(Cc1csc(C(C)C)n1)[C@@H]1CC[C@H](C)C1 ZINC000361646085 1127579418 /nfs/dbraw/zinc/57/94/18/1127579418.db2.gz UNTWBPLYXWDYLR-DZGCQCFKSA-N 0 1 296.480 3.904 20 0 CHADMN Cc1cnccc1CN(C)[C@H](C)c1ccc(F)cc1 ZINC000294532893 1127581243 /nfs/dbraw/zinc/58/12/43/1127581243.db2.gz HOIVSSSXIQDFND-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN CSCC[C@@H](C)[N@@H+](C)Cc1ccc(C(F)F)nc1 ZINC000602479278 1127583850 /nfs/dbraw/zinc/58/38/50/1127583850.db2.gz ZUNFZKGQCNSYKR-SNVBAGLBSA-N 0 1 274.380 3.593 20 0 CHADMN C[C@H]1C[C@@H](CN(Cc2c(F)cccc2F)C2CC2)CCO1 ZINC000361735954 1127585313 /nfs/dbraw/zinc/58/53/13/1127585313.db2.gz UFEAOWVCIDNGCW-STQMWFEESA-N 0 1 295.373 3.744 20 0 CHADMN Clc1nccc(CNc2ccc3c(n2)CCC3)c1Cl ZINC000294721087 1127594007 /nfs/dbraw/zinc/59/40/07/1127594007.db2.gz AWSRYQXTVYFELC-UHFFFAOYSA-N 0 1 294.185 3.884 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(C3CC3)c2)ncn1 ZINC000294893558 1127606064 /nfs/dbraw/zinc/60/60/64/1127606064.db2.gz VMJBQLAQJOHIOB-CYBMUJFWSA-N 0 1 267.376 3.513 20 0 CHADMN CCC(C)(C)[N@@H+](C)Cc1cnc(Br)s1 ZINC000294855328 1127604424 /nfs/dbraw/zinc/60/44/24/1127604424.db2.gz CNYDITVMPSHQND-UHFFFAOYSA-N 0 1 277.231 3.526 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)[nH]1 ZINC000294861418 1127604841 /nfs/dbraw/zinc/60/48/41/1127604841.db2.gz SQAYQYYKJDKQKV-ZFWWWQNUSA-N 0 1 297.402 3.522 20 0 CHADMN CSC1CCN(Cc2cnc(CC(C)C)s2)CC1 ZINC000602725769 1127609188 /nfs/dbraw/zinc/60/91/88/1127609188.db2.gz NHTSDEFFMJEJFT-UHFFFAOYSA-N 0 1 284.494 3.669 20 0 CHADMN CSC1CCN(Cc2ccccc2OC(F)F)CC1 ZINC000602725795 1127609864 /nfs/dbraw/zinc/60/98/64/1127609864.db2.gz NSNILGHJMJFRSP-UHFFFAOYSA-N 0 1 287.375 3.615 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cnns1)C(C)(C)C ZINC000294956900 1127610346 /nfs/dbraw/zinc/61/03/46/1127610346.db2.gz JOOKRRIOIRVABM-CQSZACIVSA-N 0 1 275.421 3.724 20 0 CHADMN CCCCCN(Cc1cnc(C(=O)OCC)s1)C(C)C ZINC000602764719 1127611402 /nfs/dbraw/zinc/61/14/02/1127611402.db2.gz ZNCPZPPDSKBIMD-UHFFFAOYSA-N 0 1 298.452 3.720 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCCC(C)(C)C2)n1 ZINC000602881132 1127619267 /nfs/dbraw/zinc/61/92/67/1127619267.db2.gz XVGBQIOGQYHYLD-UHFFFAOYSA-N 0 1 285.391 3.667 20 0 CHADMN COc1ccc(CN[C@@H]2C[C@@H](C)Oc3ccccc32)cc1 ZINC000295104742 1127620368 /nfs/dbraw/zinc/62/03/68/1127620368.db2.gz UBMWCEAANLFFTA-CXAGYDPISA-N 0 1 283.371 3.697 20 0 CHADMN C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1ccsc1 ZINC000295117421 1127621309 /nfs/dbraw/zinc/62/13/09/1127621309.db2.gz WWYCEJDEGCUTSL-GXSJLCMTSA-N 0 1 263.328 3.911 20 0 CHADMN CSC1CCN(CCOc2ccccc2Cl)CC1 ZINC000602922374 1127622446 /nfs/dbraw/zinc/62/24/46/1127622446.db2.gz UEXXWKYMQMBNIX-UHFFFAOYSA-N 0 1 285.840 3.546 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc3c(c1)CCO3)CO2 ZINC000362293043 1127625104 /nfs/dbraw/zinc/62/51/04/1127625104.db2.gz HIYWXVUKOFYPFF-CXAGYDPISA-N 0 1 295.382 3.714 20 0 CHADMN Oc1ccc(F)c(CNC[C@@H]2CCCCC2(F)F)c1F ZINC000295169309 1127625600 /nfs/dbraw/zinc/62/56/00/1127625600.db2.gz UBWSKIKMKNNAOH-VIFPVBQESA-N 0 1 291.288 3.586 20 0 CHADMN COC1(c2ccccc2)CN(Cc2cccc3[nH]ccc32)C1 ZINC000362310218 1127626999 /nfs/dbraw/zinc/62/69/99/1127626999.db2.gz XTBZOSXVEMXROJ-UHFFFAOYSA-N 0 1 292.382 3.525 20 0 CHADMN COc1cc(CN2CC3(C2)CCCC3)ccc1OC(C)C ZINC000362322230 1127627517 /nfs/dbraw/zinc/62/75/17/1127627517.db2.gz MJCOGBKEFXINCS-UHFFFAOYSA-N 0 1 289.419 3.858 20 0 CHADMN Cc1cccc(CN[C@@H]2CCc3c2cccc3O)c1F ZINC000295233644 1127629473 /nfs/dbraw/zinc/62/94/73/1127629473.db2.gz SDIDYICONHUELN-OAHLLOKOSA-N 0 1 271.335 3.617 20 0 CHADMN Cc1ccc(CNCc2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000060977171 1127631299 /nfs/dbraw/zinc/63/12/99/1127631299.db2.gz PJIQYLVZJZWYFV-UHFFFAOYSA-N 0 1 296.326 3.939 20 0 CHADMN CCc1nc([C@H](C)SC[C@@H]2CC[C@H]3C[C@H]3C2)n[nH]1 ZINC000598719876 1127633873 /nfs/dbraw/zinc/63/38/73/1127633873.db2.gz OCHIVRINPMSRNJ-WHOHXGKFSA-N 0 1 265.426 3.598 20 0 CHADMN CCSCc1ccc(NC(=O)c2[nH]c(C)nc2C)cc1 ZINC000598738264 1127634726 /nfs/dbraw/zinc/63/47/26/1127634726.db2.gz IAAYKRSEPMLOCW-UHFFFAOYSA-N 0 1 289.404 3.532 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cc(F)ncc1F)[C@H](C)C2 ZINC000295386844 1127639984 /nfs/dbraw/zinc/63/99/84/1127639984.db2.gz KYERDMIACGDMKV-DIFFPNOSSA-N 0 1 288.341 3.691 20 0 CHADMN c1sc2ccccc2c1CN1CCO[C@H](C2CC2)C1 ZINC000362510715 1127641072 /nfs/dbraw/zinc/64/10/72/1127641072.db2.gz LVKXBWPEGRBGRZ-HNNXBMFYSA-N 0 1 273.401 3.512 20 0 CHADMN CCc1ncc(C[N@H+]2CCc3c(C)cc(C)cc3C2)s1 ZINC000362522014 1127642397 /nfs/dbraw/zinc/64/23/97/1127642397.db2.gz AHFMWEQNSGIBSF-UHFFFAOYSA-N 0 1 286.444 3.881 20 0 CHADMN CCc1ncc(CN2CCc3c(C)cc(C)cc3C2)s1 ZINC000362522014 1127642398 /nfs/dbraw/zinc/64/23/98/1127642398.db2.gz AHFMWEQNSGIBSF-UHFFFAOYSA-N 0 1 286.444 3.881 20 0 CHADMN c1nnsc1CN1CCCCC[C@@H]1c1ccccc1 ZINC000295453825 1127643818 /nfs/dbraw/zinc/64/38/18/1127643818.db2.gz HJNSPVXPWJQTRB-OAHLLOKOSA-N 0 1 273.405 3.655 20 0 CHADMN C[C@H]1CCCN(Cc2ccnc(C(F)(F)F)c2)[C@H]1C ZINC001232241063 1127644583 /nfs/dbraw/zinc/64/45/83/1127644583.db2.gz DCDQDUYAMXAJOK-QWRGUYRKSA-N 0 1 272.314 3.721 20 0 CHADMN Cc1nnc([C@@H](C)NC[C@@H](C)c2cc(F)cc(F)c2)s1 ZINC000295507130 1127644660 /nfs/dbraw/zinc/64/46/60/1127644660.db2.gz UOQXHKYJXJBTPL-RKDXNWHRSA-N 0 1 297.374 3.579 20 0 CHADMN COCC[C@H](NCc1csc(C)c1)c1ccco1 ZINC000295568831 1127646618 /nfs/dbraw/zinc/64/66/18/1127646618.db2.gz ZSNFGSSVCRUGOD-ZDUSSCGKSA-N 0 1 265.378 3.517 20 0 CHADMN COc1cccc(CN[C@H]2CCc3c2cccc3C)c1F ZINC000669681561 1127649513 /nfs/dbraw/zinc/64/95/13/1127649513.db2.gz GBWIDGXOCXIZCI-INIZCTEOSA-N 0 1 285.362 3.920 20 0 CHADMN CC(=O)c1ccc(CSc2nc(C(C)(C)C)n[nH]2)cc1 ZINC000295662520 1127649773 /nfs/dbraw/zinc/64/97/73/1127649773.db2.gz FHKHHPMQPRWGPV-UHFFFAOYSA-N 0 1 289.404 3.597 20 0 CHADMN CC(=O)c1ccc(CSc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000295662520 1127649774 /nfs/dbraw/zinc/64/97/74/1127649774.db2.gz FHKHHPMQPRWGPV-UHFFFAOYSA-N 0 1 289.404 3.597 20 0 CHADMN Cc1cccc([C@H](N[C@@H]2C[C@H](C)O[C@@H]2C)c2ccccn2)c1 ZINC000295723749 1127651421 /nfs/dbraw/zinc/65/14/21/1127651421.db2.gz OHFVTHULLSZRHZ-SFUIVIKGSA-N 0 1 296.414 3.635 20 0 CHADMN CC[C@H](NCc1ccncc1C)c1ccc(F)cc1F ZINC000295876261 1127656393 /nfs/dbraw/zinc/65/63/93/1127656393.db2.gz XSGRKEIHQFZOHW-INIZCTEOSA-N 0 1 276.330 3.909 20 0 CHADMN CO[C@H]1CCN([C@H](C)c2ccc(F)cc2F)CC1(C)C ZINC000295978808 1127658795 /nfs/dbraw/zinc/65/87/95/1127658795.db2.gz KWDUMLAMXPFDGL-ABAIWWIYSA-N 0 1 283.362 3.773 20 0 CHADMN Cc1cnc(CN2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)o1 ZINC000296012336 1127660394 /nfs/dbraw/zinc/66/03/94/1127660394.db2.gz QOPXRGVSDDNLHS-OAHLLOKOSA-N 0 1 296.374 3.505 20 0 CHADMN Fc1cc(F)c2c(c1)[C@H](NCc1ccccn1)CCC2 ZINC000296045283 1127661191 /nfs/dbraw/zinc/66/11/91/1127661191.db2.gz OGMGGGPQFVZAKB-MRXNPFEDSA-N 0 1 274.314 3.527 20 0 CHADMN CS[C@@H]1CCN(Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000296055700 1127662048 /nfs/dbraw/zinc/66/20/48/1127662048.db2.gz BFQSJXUBTAZFJG-CQSZACIVSA-N 0 1 288.416 3.587 20 0 CHADMN Cc1cnccc1CNCc1ccc(C2CC2)cc1F ZINC000296098550 1127662857 /nfs/dbraw/zinc/66/28/57/1127662857.db2.gz RRWYEHBVFVMZFZ-UHFFFAOYSA-N 0 1 270.351 3.696 20 0 CHADMN C[C@@H](NCc1cncc(F)c1)c1cccc(C2CC2)c1 ZINC000296196203 1127665124 /nfs/dbraw/zinc/66/51/24/1127665124.db2.gz YTPCAHKUBGLUGQ-GFCCVEGCSA-N 0 1 270.351 3.949 20 0 CHADMN CS[C@@H]1CCN([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000296455906 1127672119 /nfs/dbraw/zinc/67/21/19/1127672119.db2.gz WUDGZRIYUSDGPQ-GXTWGEPZSA-N 0 1 288.416 3.840 20 0 CHADMN CS[C@H]1CCN([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000296455907 1127672347 /nfs/dbraw/zinc/67/23/47/1127672347.db2.gz WUDGZRIYUSDGPQ-JSGCOSHPSA-N 0 1 288.416 3.840 20 0 CHADMN Cn1cc(CNc2ccc3cnccc3c2)c(C(C)(C)C)n1 ZINC000296537406 1127675552 /nfs/dbraw/zinc/67/55/52/1127675552.db2.gz LWQYEORPJVKQRJ-UHFFFAOYSA-N 0 1 294.402 3.878 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](CC2CC2)c2ccccc2)nn1C ZINC000669702512 1127678741 /nfs/dbraw/zinc/67/87/41/1127678741.db2.gz KCDYASATYLXXDM-KDOFPFPSSA-N 0 1 283.419 3.921 20 0 CHADMN COC1(CCNc2ccc3cnccc3c2)CCC1 ZINC000296703821 1127681733 /nfs/dbraw/zinc/68/17/33/1127681733.db2.gz HVHGJXPHYWDEBD-UHFFFAOYSA-N 0 1 256.349 3.606 20 0 CHADMN CC(C)[C@H](C)N(Cc1cccnc1Cl)C1CC1 ZINC000171077442 1127682467 /nfs/dbraw/zinc/68/24/67/1127682467.db2.gz QTPLJTIGKGZBHK-NSHDSACASA-N 0 1 252.789 3.744 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)cs1 ZINC000296760047 1127682795 /nfs/dbraw/zinc/68/27/95/1127682795.db2.gz KBWPHMNNHLFWAO-QWRGUYRKSA-N 0 1 278.425 3.710 20 0 CHADMN CC[C@@H](N[C@H](C)c1n[nH]c(C(C)C)n1)c1ccsc1 ZINC000296642007 1127680044 /nfs/dbraw/zinc/68/00/44/1127680044.db2.gz CXBBVVHTOQMSPB-ZYHUDNBSSA-N 0 1 278.425 3.792 20 0 CHADMN CC(C)(C)c1noc(CNc2ccc3cnccc3c2)n1 ZINC000296657472 1127680894 /nfs/dbraw/zinc/68/08/94/1127680894.db2.gz DXXDZVVJMGFXOF-UHFFFAOYSA-N 0 1 282.347 3.527 20 0 CHADMN CC(=O)c1cccc(CN2CCC(OC(C)(C)C)CC2)c1 ZINC000296825293 1127684370 /nfs/dbraw/zinc/68/43/70/1127684370.db2.gz RISOUIOQLMYHNT-UHFFFAOYSA-N 0 1 289.419 3.669 20 0 CHADMN CCCC[C@H](COC)N[C@@H](c1ccccc1)c1ccccn1 ZINC000363789547 1127684740 /nfs/dbraw/zinc/68/47/40/1127684740.db2.gz AWCKDOKKDBZMCG-MJGOQNOKSA-N 0 1 298.430 3.966 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2csc(C)c2)n[nH]1 ZINC000297033406 1127687970 /nfs/dbraw/zinc/68/79/70/1127687970.db2.gz XOAQVBNUIDHMNV-ONGXEEELSA-N 0 1 278.425 3.539 20 0 CHADMN CCC[C@@H]1CCC[C@@H]1C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000297227734 1127691652 /nfs/dbraw/zinc/69/16/52/1127691652.db2.gz TWTTUQOHDIHKEE-ZJUUUORDSA-N 0 1 285.338 3.811 20 0 CHADMN CC(C)n1ncnc1CN(C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297424267 1127695945 /nfs/dbraw/zinc/69/59/45/1127695945.db2.gz FADWEJNIBFKFDM-IRXDYDNUSA-N 0 1 298.434 3.627 20 0 CHADMN C[C@H](N[C@H]1CCn2ccnc21)c1cc2ccccc2s1 ZINC000297581189 1127700930 /nfs/dbraw/zinc/70/09/30/1127700930.db2.gz HDOFHCOCJGWNIQ-AAEUAGOBSA-N 0 1 283.400 3.893 20 0 CHADMN CC(C)n1cc(CN(C)[C@@H]2CCC[C@H]2c2ccccc2)nn1 ZINC000297595035 1127701011 /nfs/dbraw/zinc/70/10/11/1127701011.db2.gz TWSMKJYYHYULCI-ZWKOTPCHSA-N 0 1 298.434 3.627 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H](C)c1cccc(C)c1C ZINC000297592667 1127701090 /nfs/dbraw/zinc/70/10/90/1127701090.db2.gz HSMTYMDCJFJLRH-HUUCEWRRSA-N 0 1 271.408 3.932 20 0 CHADMN Fc1ccc([C@@H](N[C@H]2CCn3ccnc32)C2CCC2)cc1 ZINC000297625583 1127702137 /nfs/dbraw/zinc/70/21/37/1127702137.db2.gz JBLPVGDRTDVFDW-HOTGVXAUSA-N 0 1 285.366 3.598 20 0 CHADMN CC1(C)CN(CCc2ccccc2Cl)C(C)(C)CO1 ZINC000604386980 1127703989 /nfs/dbraw/zinc/70/39/89/1127703989.db2.gz YKDIHBZVNZDDEC-UHFFFAOYSA-N 0 1 281.827 3.772 20 0 CHADMN Cc1cccnc1[C@H](NCc1n[nH]c2ccccc12)C(C)C ZINC000604417115 1127705147 /nfs/dbraw/zinc/70/51/47/1127705147.db2.gz FMTNPBJOUDQEBC-QGZVFWFLSA-N 0 1 294.402 3.753 20 0 CHADMN CC[C@@H](N)c1cc(-c2ccccc2C(F)(F)F)no1 ZINC000229869374 1127711992 /nfs/dbraw/zinc/71/19/92/1127711992.db2.gz RFDIKWNFKOGILJ-SNVBAGLBSA-N 0 1 270.254 3.770 20 0 CHADMN Cc1noc([C@@H](C)N2CCC[C@H](C(C)(C)C)CC2)n1 ZINC000604759882 1127715622 /nfs/dbraw/zinc/71/56/22/1127715622.db2.gz QOJDEXCFVZTHSJ-YPMHNXCESA-N 0 1 265.401 3.587 20 0 CHADMN CCCCCCNC(=O)CN1CCC[C@@H]1c1cccs1 ZINC000061781160 1127716937 /nfs/dbraw/zinc/71/69/37/1127716937.db2.gz NLGIQCGGDDPEMP-CQSZACIVSA-N 0 1 294.464 3.582 20 0 CHADMN C[C@@H](NC(=O)C(F)F)c1cc(F)c(Cl)cc1Cl ZINC000298291824 1127718538 /nfs/dbraw/zinc/71/85/38/1127718538.db2.gz GJWRGQGUWFOASK-SCSAIBSYSA-N 0 1 286.080 3.575 20 0 CHADMN CCc1ccc(CSc2nc(-c3ccccn3)n[nH]2)cc1 ZINC000604932604 1127721295 /nfs/dbraw/zinc/72/12/95/1127721295.db2.gz VJCPWMBJYABYGK-UHFFFAOYSA-N 0 1 296.399 3.721 20 0 CHADMN COc1ccccc1[C@H]1CCCN1Cc1ccnn1C(C)C ZINC000365426884 1127728702 /nfs/dbraw/zinc/72/87/02/1127728702.db2.gz YXTVYIVGKSRHGF-QGZVFWFLSA-N 0 1 299.418 3.810 20 0 CHADMN C[C@@H]1CC2(CCC2)CN1Cc1csc(-c2ccccn2)n1 ZINC000365443341 1127729717 /nfs/dbraw/zinc/72/97/17/1127729717.db2.gz OCHQKLCVPILALX-CYBMUJFWSA-N 0 1 299.443 3.970 20 0 CHADMN CCCc1nc(C[N@H+]2CCCC23CCC3)cs1 ZINC000365624196 1127735395 /nfs/dbraw/zinc/73/53/95/1127735395.db2.gz GSAANZBJNQIRKY-UHFFFAOYSA-N 0 1 250.411 3.614 20 0 CHADMN CCCc1nc(CN2CCCC23CCC3)cs1 ZINC000365624196 1127735396 /nfs/dbraw/zinc/73/53/96/1127735396.db2.gz GSAANZBJNQIRKY-UHFFFAOYSA-N 0 1 250.411 3.614 20 0 CHADMN COc1ccc(C2=CCN(CCC(F)(F)F)CC2)cc1 ZINC000365506931 1127732110 /nfs/dbraw/zinc/73/21/10/1127732110.db2.gz JTTGCCFITBKSHS-UHFFFAOYSA-N 0 1 285.309 3.737 20 0 CHADMN CO[C@@]1(C)CCCN([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000366476233 1127746273 /nfs/dbraw/zinc/74/62/73/1127746273.db2.gz NCULRALKXFEWMC-GUYCJALGSA-N 0 1 294.439 3.924 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2ccnc(C)n2)o1 ZINC000366466988 1127746299 /nfs/dbraw/zinc/74/62/99/1127746299.db2.gz QYAPRFBHTBKCPF-WBMJQRKESA-N 0 1 285.391 3.660 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccnc(C)n2)o1 ZINC000366466988 1127746301 /nfs/dbraw/zinc/74/63/01/1127746301.db2.gz QYAPRFBHTBKCPF-WBMJQRKESA-N 0 1 285.391 3.660 20 0 CHADMN CO[C@]1(C)CCCN([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000366476236 1127746360 /nfs/dbraw/zinc/74/63/60/1127746360.db2.gz NCULRALKXFEWMC-SUMWQHHRSA-N 0 1 294.439 3.924 20 0 CHADMN Cc1oncc1C[N@@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000366887299 1127748900 /nfs/dbraw/zinc/74/89/00/1127748900.db2.gz SHEWOMLFJQOYNO-CZUORRHYSA-N 0 1 270.376 3.751 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cccc(CF)n1 ZINC001232540057 1127750690 /nfs/dbraw/zinc/75/06/90/1127750690.db2.gz XLDJZGKLMJOYMD-UHFFFAOYSA-N 0 1 276.330 3.712 20 0 CHADMN C[C@H](O)c1ncc(CN2CCC3(CCCCC3)CC2)s1 ZINC000367308992 1127752158 /nfs/dbraw/zinc/75/21/58/1127752158.db2.gz SDNBDUHJBPKXRI-ZDUSSCGKSA-N 0 1 294.464 3.743 20 0 CHADMN c1cn(Cc2ccccc2)c(CN2CCC3(CCC3)CC2)n1 ZINC000368607397 1127758579 /nfs/dbraw/zinc/75/85/79/1127758579.db2.gz HRZLRMSSERTZOL-UHFFFAOYSA-N 0 1 295.430 3.698 20 0 CHADMN CSCCN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000370865635 1127763024 /nfs/dbraw/zinc/76/30/24/1127763024.db2.gz WSUXOALFDOZROM-ZDUSSCGKSA-N 0 1 276.405 3.718 20 0 CHADMN CCCCc1nc(CN(CC)C2CCC2)cs1 ZINC000606434555 1127763234 /nfs/dbraw/zinc/76/32/34/1127763234.db2.gz SAEYDUCDZLFTHJ-UHFFFAOYSA-N 0 1 252.427 3.860 20 0 CHADMN c1csc(CN2CCC[C@H](Cc3ccccc3)C2)n1 ZINC000370872102 1127763279 /nfs/dbraw/zinc/76/32/79/1127763279.db2.gz GGLKGOUZTNMZKL-OAHLLOKOSA-N 0 1 272.417 3.598 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCCOC(C)(C)C1 ZINC000370920215 1127763987 /nfs/dbraw/zinc/76/39/87/1127763987.db2.gz ZOBFYDDPTJFLIU-NSHDSACASA-N 0 1 269.335 3.527 20 0 CHADMN COc1cccc(CN2CCc3cc(F)ccc3[C@@H]2C)c1 ZINC000606540633 1127766133 /nfs/dbraw/zinc/76/61/33/1127766133.db2.gz YSIANISEUPAYKL-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN Fc1ccc([C@H]2CCCCN2CC2=CCCOC2)c(F)c1 ZINC000371465338 1127766537 /nfs/dbraw/zinc/76/65/37/1127766537.db2.gz CCPFQPLZUSFNQY-QGZVFWFLSA-N 0 1 293.357 3.839 20 0 CHADMN C([C@H]1CCC2(CCCCC2)O1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000409446853 1127768546 /nfs/dbraw/zinc/76/85/46/1127768546.db2.gz RABZJWUUBGZPEE-IXDOHACOSA-N 0 1 293.451 3.512 20 0 CHADMN Cc1ccc(CN(C)C[C@@H]2CCC3(CCCCC3)O2)o1 ZINC000409446359 1127769756 /nfs/dbraw/zinc/76/97/56/1127769756.db2.gz ACQPURPGENQTEH-INIZCTEOSA-N 0 1 277.408 3.902 20 0 CHADMN C[C@@H](NCc1ccc(CO)cc1)c1nc2ccccc2s1 ZINC000230637457 1127769807 /nfs/dbraw/zinc/76/98/07/1127769807.db2.gz IQCMTGKAIJVINR-GFCCVEGCSA-N 0 1 298.411 3.639 20 0 CHADMN COC(=O)c1ccc([C@H](C)N[C@@H](C)c2ccc(C)s2)o1 ZINC000230635744 1127769965 /nfs/dbraw/zinc/76/99/65/1127769965.db2.gz ROXXCXXYFSGBPN-QWRGUYRKSA-N 0 1 293.388 3.848 20 0 CHADMN CCC(CC)CN1CCO[C@H](c2ccccc2F)C1 ZINC000409445878 1127770600 /nfs/dbraw/zinc/77/06/00/1127770600.db2.gz GVOFCPYBSKUQBU-INIZCTEOSA-N 0 1 265.372 3.635 20 0 CHADMN CCCCCC(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000371565023 1127771236 /nfs/dbraw/zinc/77/12/36/1127771236.db2.gz SQVLAMPEZDUHGD-UHFFFAOYSA-N 0 1 272.392 3.683 20 0 CHADMN Brc1ccc(CN2CCC[C@H]3CCC[C@@H]32)[nH]1 ZINC001232688640 1127785399 /nfs/dbraw/zinc/78/53/99/1127785399.db2.gz XXZKNNQQEGGUOQ-PWSUYJOCSA-N 0 1 283.213 3.542 20 0 CHADMN CCOc1nnc(CN2CCCCC[C@H]2CC(C)C)s1 ZINC000607156926 1127796408 /nfs/dbraw/zinc/79/64/08/1127796408.db2.gz HXTWSDQYTXKWTK-ZDUSSCGKSA-N 0 1 297.468 3.728 20 0 CHADMN CC(C)CCc1nc(CN2C[C@H](C)C[C@@H]2C)cs1 ZINC000607192843 1127796687 /nfs/dbraw/zinc/79/66/87/1127796687.db2.gz ZLAVVBBJDXWTME-OLZOCXBDSA-N 0 1 266.454 3.962 20 0 CHADMN CCCCc1nc(CN2C[C@@H](C)C[C@H]2C)cs1 ZINC000607155462 1127796876 /nfs/dbraw/zinc/79/68/76/1127796876.db2.gz AOZMPELMMQKEGY-NWDGAFQWSA-N 0 1 252.427 3.716 20 0 CHADMN Cc1ccc(F)cc1CN[C@@H]1CCOc2c(F)cccc21 ZINC000372468418 1127800818 /nfs/dbraw/zinc/80/08/18/1127800818.db2.gz GTRRQDRYACNKPV-MRXNPFEDSA-N 0 1 289.325 3.887 20 0 CHADMN Cc1cccc(CN[C@@H]2CCOc3c(F)cccc32)c1 ZINC000372600192 1127806923 /nfs/dbraw/zinc/80/69/23/1127806923.db2.gz NRRLUNKMIPMUJL-MRXNPFEDSA-N 0 1 271.335 3.748 20 0 CHADMN C[C@]1(c2ccccc2)CC[C@H](N2CCC[C@@H]2c2ncon2)C1 ZINC000372678021 1127808835 /nfs/dbraw/zinc/80/88/35/1127808835.db2.gz XJESBJIMUXMCSY-JZXOWHBKSA-N 0 1 297.402 3.717 20 0 CHADMN C[C@]1(c2ccccc2)CC[C@@H](N2CCC[C@H]2c2ncon2)C1 ZINC000372678026 1127809105 /nfs/dbraw/zinc/80/91/05/1127809105.db2.gz XJESBJIMUXMCSY-RYRKJORJSA-N 0 1 297.402 3.717 20 0 CHADMN C[N@H+](Cc1cccc2ccccc21)Cn1cc[nH]c1=S ZINC000173310810 1127819333 /nfs/dbraw/zinc/81/93/33/1127819333.db2.gz KNYWUBYJMAUIIV-UHFFFAOYSA-N 0 1 283.400 3.788 20 0 CHADMN CN(Cc1cccc2ccccc21)Cn1cc[nH]c1=S ZINC000173310810 1127819336 /nfs/dbraw/zinc/81/93/36/1127819336.db2.gz KNYWUBYJMAUIIV-UHFFFAOYSA-N 0 1 283.400 3.788 20 0 CHADMN CC[N@H+](Cc1cc(Cl)ccc1Cl)C[C@@H]1CCCO1 ZINC000607732763 1127821056 /nfs/dbraw/zinc/82/10/56/1127821056.db2.gz AMDJCFDKYFXYMK-ZDUSSCGKSA-N 0 1 288.218 3.994 20 0 CHADMN CCN(Cc1cc(Cl)ccc1Cl)C[C@@H]1CCCO1 ZINC000607732763 1127821059 /nfs/dbraw/zinc/82/10/59/1127821059.db2.gz AMDJCFDKYFXYMK-ZDUSSCGKSA-N 0 1 288.218 3.994 20 0 CHADMN c1csc(-c2cc(CN3CCCC34CCC4)no2)c1 ZINC000373097225 1127823099 /nfs/dbraw/zinc/82/30/99/1127823099.db2.gz FZTWIXGQAAIEGZ-UHFFFAOYSA-N 0 1 274.389 3.922 20 0 CHADMN COc1ccccc1[C@H]1CCCCN1Cc1ccncc1 ZINC000607753712 1127823696 /nfs/dbraw/zinc/82/36/96/1127823696.db2.gz HQLMTTODYLGZIC-QGZVFWFLSA-N 0 1 282.387 3.817 20 0 CHADMN C[C@@H](c1nc2ccccc2s1)N(C)CCC1(O)CCC1 ZINC000411116116 1127840512 /nfs/dbraw/zinc/84/05/12/1127840512.db2.gz NDYGVYORGCRZFG-LBPRGKRZSA-N 0 1 290.432 3.594 20 0 CHADMN Fc1cccc([C@@H]2C[C@H]2N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000411123753 1127841206 /nfs/dbraw/zinc/84/12/06/1127841206.db2.gz DXLUMDPUFBIHJU-FPMFFAJLSA-N 0 1 287.300 3.956 20 0 CHADMN Cc1nc([C@@H](C)N(C)Cc2c(Cl)cccc2Cl)n[nH]1 ZINC000411196270 1127847026 /nfs/dbraw/zinc/84/70/26/1127847026.db2.gz BGMUCEBDKUUVBZ-MRVPVSSYSA-N 0 1 299.205 3.613 20 0 CHADMN CCCN(Cc1ccc(F)cc1)[C@@H](C)c1cnc(C)cn1 ZINC000411203806 1127847168 /nfs/dbraw/zinc/84/71/68/1127847168.db2.gz SQIHOHNTFCIUJD-AWEZNQCLSA-N 0 1 287.382 3.897 20 0 CHADMN Cc1ccc2ncc(C[N@@H+](C)C[C@H]3CCCCO3)cc2c1 ZINC000411194283 1127846170 /nfs/dbraw/zinc/84/61/70/1127846170.db2.gz UHRIPRVDQGCLEL-QGZVFWFLSA-N 0 1 284.403 3.544 20 0 CHADMN Cc1oncc1CN1CC=C(c2cccc(Cl)c2)CC1 ZINC000373591843 1127851606 /nfs/dbraw/zinc/85/16/06/1127851606.db2.gz HJAOVMHZLQIQRR-UHFFFAOYSA-N 0 1 288.778 3.926 20 0 CHADMN Fc1cccc([C@@H]2C[C@@H]2N2CCC(C(F)(F)F)CC2)c1 ZINC000411292664 1127851800 /nfs/dbraw/zinc/85/18/00/1127851800.db2.gz FPHRXYCRIXKYHN-KBPBESRZSA-N 0 1 287.300 3.956 20 0 CHADMN [O-]c1cccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1Cl ZINC001232786017 1127855077 /nfs/dbraw/zinc/85/50/77/1127855077.db2.gz NPTLLMBXLAWQOX-VXGBXAGGSA-N 0 1 265.784 3.668 20 0 CHADMN CCc1ccc(CN(C)[C@H](CC)c2ccncc2)nc1 ZINC000411433880 1127859193 /nfs/dbraw/zinc/85/91/93/1127859193.db2.gz YDUICADNRILFFM-QGZVFWFLSA-N 0 1 269.392 3.622 20 0 CHADMN CC[C@@H](NCc1csc(C(=O)OC)c1)c1cccs1 ZINC000411511522 1127862448 /nfs/dbraw/zinc/86/24/48/1127862448.db2.gz JHAXGOFBOBWKLI-LLVKDONJSA-N 0 1 295.429 3.837 20 0 CHADMN CN(Cc1ccc(-c2ncco2)cc1F)[C@@H]1CC1(C)C ZINC000411682015 1127868672 /nfs/dbraw/zinc/86/86/72/1127868672.db2.gz FHHFURXFIHAAKU-CQSZACIVSA-N 0 1 274.339 3.711 20 0 CHADMN CC[N@@H+](CCOc1ccc(SC)cc1)Cc1ccoc1 ZINC000608494952 1127869659 /nfs/dbraw/zinc/86/96/59/1127869659.db2.gz YGRNGEBDNJNGMS-UHFFFAOYSA-N 0 1 291.416 3.902 20 0 CHADMN CCN(CCOc1ccc(SC)cc1)Cc1ccoc1 ZINC000608494952 1127869664 /nfs/dbraw/zinc/86/96/64/1127869664.db2.gz YGRNGEBDNJNGMS-UHFFFAOYSA-N 0 1 291.416 3.902 20 0 CHADMN CC1=CCCN(Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411681017 1127869735 /nfs/dbraw/zinc/86/97/35/1127869735.db2.gz YKWQVRUUBYZMNV-UHFFFAOYSA-N 0 1 272.323 3.633 20 0 CHADMN CCOc1ccccc1OCC[N@@H+](C)Cc1ccsc1 ZINC000608492007 1127870225 /nfs/dbraw/zinc/87/02/25/1127870225.db2.gz TZVGBKAEIIWZLQ-UHFFFAOYSA-N 0 1 291.416 3.658 20 0 CHADMN CCOc1ccccc1OCCN(C)Cc1ccsc1 ZINC000608492007 1127870229 /nfs/dbraw/zinc/87/02/29/1127870229.db2.gz TZVGBKAEIIWZLQ-UHFFFAOYSA-N 0 1 291.416 3.658 20 0 CHADMN C[C@H](CO)C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000608498216 1127870448 /nfs/dbraw/zinc/87/04/48/1127870448.db2.gz ARRWWOUMFFLUTH-UWVGGRQHSA-N 0 1 276.207 3.615 20 0 CHADMN CCOc1ccccc1OCC[N@@H+](CC)Cc1ccoc1 ZINC000608494767 1127870694 /nfs/dbraw/zinc/87/06/94/1127870694.db2.gz QHJSEPJTOUEAQU-UHFFFAOYSA-N 0 1 289.375 3.579 20 0 CHADMN CCOc1ccccc1OCCN(CC)Cc1ccoc1 ZINC000608494767 1127870698 /nfs/dbraw/zinc/87/06/98/1127870698.db2.gz QHJSEPJTOUEAQU-UHFFFAOYSA-N 0 1 289.375 3.579 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H](c3ccco3)C2)cs1 ZINC000374008400 1127870914 /nfs/dbraw/zinc/87/09/14/1127870914.db2.gz POCFMRIIJOLJAB-GFCCVEGCSA-N 0 1 276.405 3.849 20 0 CHADMN O=C(CN1C2CCCC1CCC2)Nc1ccc2c(c1)CCC2 ZINC000608498953 1127871630 /nfs/dbraw/zinc/87/16/30/1127871630.db2.gz LVDRHCLNPGNWNA-UHFFFAOYSA-N 0 1 298.430 3.521 20 0 CHADMN C[C@H]1CN([C@H]2C[C@H]2c2cccc(F)c2)CCC1(F)F ZINC000411750908 1127872829 /nfs/dbraw/zinc/87/28/29/1127872829.db2.gz NFGLUFCRZBXCQU-BPNCWPANSA-N 0 1 269.310 3.659 20 0 CHADMN Cc1ccccc1-c1noc(CN2C[C@H](C)CC[C@@H]2C)n1 ZINC000608511195 1127874160 /nfs/dbraw/zinc/87/41/60/1127874160.db2.gz DZKJJROARUGYFK-OCCSQVGLSA-N 0 1 285.391 3.665 20 0 CHADMN c1coc([C@@H]2N(CCc3cncs3)CC23CCC3)c1 ZINC000411798428 1127874743 /nfs/dbraw/zinc/87/47/43/1127874743.db2.gz VKFAAFYXWFSWBP-AWEZNQCLSA-N 0 1 274.389 3.506 20 0 CHADMN CC(C)(C)CC(=O)N1CCN(CCC2CCCCC2)CC1 ZINC000608560165 1127876821 /nfs/dbraw/zinc/87/68/21/1127876821.db2.gz PXMJCBYUHVZAGT-UHFFFAOYSA-N 0 1 294.483 3.537 20 0 CHADMN CC[C@H](N[C@H](C)c1cnc(C)cn1)c1ccccc1 ZINC000411882675 1127877699 /nfs/dbraw/zinc/87/76/99/1127877699.db2.gz APCXHZMTFKPRIC-HIFRSBDPSA-N 0 1 255.365 3.587 20 0 CHADMN Clc1ccc2nc(CN3C4CCCC3CCC4)cn2c1 ZINC000608565000 1127877871 /nfs/dbraw/zinc/87/78/71/1127877871.db2.gz LFAVHBFSIWRSSJ-UHFFFAOYSA-N 0 1 289.810 3.895 20 0 CHADMN Cc1cccc(CN[C@H]2CCCc3occc32)c1F ZINC000296526436 1129222990 /nfs/dbraw/zinc/22/29/90/1129222990.db2.gz SHYKENSSQLCQQN-AWEZNQCLSA-N 0 1 259.324 3.894 20 0 CHADMN Cc1nnc(CN(C)[C@@H]2CCCC[C@H]2c2ccccc2)o1 ZINC000411998604 1127885891 /nfs/dbraw/zinc/88/58/91/1127885891.db2.gz NVVDWCWDPOQHSX-JKSUJKDBSA-N 0 1 285.391 3.536 20 0 CHADMN FC(F)(F)CCN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412001451 1127886596 /nfs/dbraw/zinc/88/65/96/1127886596.db2.gz QBJXVHSZOIPWCP-CQSZACIVSA-N 0 1 299.336 3.793 20 0 CHADMN CC[C@@H](F)CN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412011848 1127887232 /nfs/dbraw/zinc/88/72/32/1127887232.db2.gz LCVXIXVXTRRJAA-CVEARBPZSA-N 0 1 277.383 3.588 20 0 CHADMN C[C@H]1CC(C)(C)CN1Cc1nc(C2CC2)cs1 ZINC000412039273 1127892891 /nfs/dbraw/zinc/89/28/91/1127892891.db2.gz JJAUILVPNYXNIG-JTQLQIEISA-N 0 1 250.411 3.641 20 0 CHADMN Cc1nnc(CN2CC[C@H](CC(C)(C)C)C2(C)C)s1 ZINC000412039092 1127892979 /nfs/dbraw/zinc/89/29/79/1127892979.db2.gz PGNWHYPZZGBAPV-GFCCVEGCSA-N 0 1 281.469 3.883 20 0 CHADMN CCCCc1noc([C@H](C)N2CC(C)(C)C[C@@H]2C)n1 ZINC000412048965 1127894287 /nfs/dbraw/zinc/89/42/87/1127894287.db2.gz VRIDILDVWJIIHN-RYUDHWBXSA-N 0 1 265.401 3.594 20 0 CHADMN CO[C@H]1CCCN([C@H](C)c2c(F)cccc2F)CC1 ZINC000374692754 1127910766 /nfs/dbraw/zinc/91/07/66/1127910766.db2.gz IREGMQRYESSLER-NEPJUHHUSA-N 0 1 269.335 3.527 20 0 CHADMN Cc1cc(C)cc(CN2CC=C(C(F)(F)F)CC2)c1 ZINC000535280450 1127911498 /nfs/dbraw/zinc/91/14/98/1127911498.db2.gz LYHJGYRJHZOGNP-UHFFFAOYSA-N 0 1 269.310 3.998 20 0 CHADMN Cc1ccc2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1 ZINC000535353175 1127913444 /nfs/dbraw/zinc/91/34/44/1127913444.db2.gz FDHPOQPEZDLQMT-UHFFFAOYSA-N 0 1 288.354 3.783 20 0 CHADMN Cn1cc(CN2CC[C@H]2c2ccccc2)c(C(C)(C)C)n1 ZINC000539409318 1127922458 /nfs/dbraw/zinc/92/24/58/1127922458.db2.gz POLFIYYZZWABIC-INIZCTEOSA-N 0 1 283.419 3.665 20 0 CHADMN Fc1cccc(C2CCN(Cc3ccncc3)CC2)c1F ZINC000375217437 1127934103 /nfs/dbraw/zinc/93/41/03/1127934103.db2.gz FYTNTGMDRARHAJ-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN CC[C@H](C[N@@H+](C)[C@H](C)c1nc2ccccc2s1)OC ZINC000412980588 1127934676 /nfs/dbraw/zinc/93/46/76/1127934676.db2.gz XTYBBCNMKNSGMC-VXGBXAGGSA-N 0 1 278.421 3.714 20 0 CHADMN CC[C@H](CN(C)[C@H](C)c1nc2ccccc2s1)OC ZINC000412980588 1127934679 /nfs/dbraw/zinc/93/46/79/1127934679.db2.gz XTYBBCNMKNSGMC-VXGBXAGGSA-N 0 1 278.421 3.714 20 0 CHADMN OC1(CCSc2nc3ccc(Cl)cc3[nH]2)CCC1 ZINC000412985235 1127934700 /nfs/dbraw/zinc/93/47/00/1127934700.db2.gz QZFXZZMKADTGHA-UHFFFAOYSA-N 0 1 282.796 3.614 20 0 CHADMN COCc1cccc(CNc2nc3c(cccc3C)s2)c1 ZINC000539707678 1127936389 /nfs/dbraw/zinc/93/63/89/1127936389.db2.gz JCSLVGXKQSLDNL-UHFFFAOYSA-N 0 1 298.411 3.785 20 0 CHADMN CSc1ccc(CS[C@@H](C)c2n[nH]c(C)n2)cc1 ZINC000413006813 1127938947 /nfs/dbraw/zinc/93/89/47/1127938947.db2.gz QCJTZBWXHCSHLE-VIFPVBQESA-N 0 1 279.434 3.829 20 0 CHADMN Cc1nc([C@H](C)SC[C@H](C)c2ccccc2)n[nH]1 ZINC000413008091 1127939241 /nfs/dbraw/zinc/93/92/41/1127939241.db2.gz WKSZAVXYSSNYFE-QWRGUYRKSA-N 0 1 261.394 3.711 20 0 CHADMN C[C@@]1(O)CCCN(Cc2cnc(C3CCCCC3)s2)C1 ZINC000539816950 1127941546 /nfs/dbraw/zinc/94/15/46/1127941546.db2.gz JMDUTLBLSMHBRK-MRXNPFEDSA-N 0 1 294.464 3.538 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)s1)[C@@H](CCO)c1ccccc1 ZINC000539828219 1127945658 /nfs/dbraw/zinc/94/56/58/1127945658.db2.gz AALUXGSCFYGOPL-AWEZNQCLSA-N 0 1 295.835 3.957 20 0 CHADMN CN(Cc1ccc(Cl)s1)[C@@H](CCO)c1ccccc1 ZINC000539828219 1127945660 /nfs/dbraw/zinc/94/56/60/1127945660.db2.gz AALUXGSCFYGOPL-AWEZNQCLSA-N 0 1 295.835 3.957 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1sncc1C ZINC001233321827 1127950849 /nfs/dbraw/zinc/95/08/49/1127950849.db2.gz FWOWKDRXWPKLIU-OAHLLOKOSA-N 0 1 272.417 3.961 20 0 CHADMN COc1ccc(CN2[C@@H](C)CC[C@@H]2C)cc1Br ZINC000539908393 1127953567 /nfs/dbraw/zinc/95/35/67/1127953567.db2.gz UHKQVPDKMTXRSP-QWRGUYRKSA-N 0 1 298.224 3.831 20 0 CHADMN CC(C)COc1ccc(CN2CC[C@@](C)(F)C2)cc1 ZINC000539924267 1127955390 /nfs/dbraw/zinc/95/53/90/1127955390.db2.gz WUAOZVYZDLCRDH-MRXNPFEDSA-N 0 1 265.372 3.655 20 0 CHADMN CCc1ccc([C@@H](CO)N[C@@H]2CCc3c2cccc3F)cc1 ZINC000540143182 1127962267 /nfs/dbraw/zinc/96/22/67/1127962267.db2.gz MUNKTIHOIGWMJB-RTBURBONSA-N 0 1 299.389 3.699 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N(C)CCc1ccccc1O ZINC000544187391 1127961714 /nfs/dbraw/zinc/96/17/14/1127961714.db2.gz XOGQLANIAMNQLF-GFCCVEGCSA-N 0 1 291.341 3.906 20 0 CHADMN CCC[C@@H](N[C@@H](CO)c1ccccc1OC)c1ccccc1 ZINC000540190402 1127967290 /nfs/dbraw/zinc/96/72/90/1127967290.db2.gz UEOGYQUPWTXCEY-MSOLQXFVSA-N 0 1 299.414 3.860 20 0 CHADMN Cc1cccc([C@@H](C)N[C@@H](CO)c2cccc(F)c2)c1 ZINC000540188246 1127967546 /nfs/dbraw/zinc/96/75/46/1127967546.db2.gz RAYOMYKBYMUTSV-DYVFJYSZSA-N 0 1 273.351 3.518 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2nc(Cc3ccccc3)no2)C1 ZINC000544191476 1127963369 /nfs/dbraw/zinc/96/33/69/1127963369.db2.gz YRVQCBHULFWENW-HNNXBMFYSA-N 0 1 299.418 3.528 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H]1CCc3c1cccc3F)CO2 ZINC000540158412 1127963815 /nfs/dbraw/zinc/96/38/15/1127963815.db2.gz VDXMYYBIXRMHNT-DLBZAZTESA-N 0 1 283.346 3.845 20 0 CHADMN Clc1ccc2c(c1)[C@H](N[C@@H]1CCCc3c[nH]nc31)CC2 ZINC000540159840 1127963961 /nfs/dbraw/zinc/96/39/61/1127963961.db2.gz GBEONOVYPXRZQG-HUUCEWRRSA-N 0 1 287.794 3.718 20 0 CHADMN COC[C@H](N[C@H]1CCc2ccccc21)c1ccc(F)cc1 ZINC000540186039 1127967946 /nfs/dbraw/zinc/96/79/46/1127967946.db2.gz JHCNPAKWDPSHIM-ROUUACIJSA-N 0 1 285.362 3.790 20 0 CHADMN CC[C@H]1CN(Cc2ccc(Cl)c(C)c2)CCCO1 ZINC000467554038 1127973882 /nfs/dbraw/zinc/97/38/82/1127973882.db2.gz NCHXIAHWUKMZTR-AWEZNQCLSA-N 0 1 267.800 3.649 20 0 CHADMN Cc1ccc2nc(CNC(C)(C)c3cccs3)cn2c1 ZINC000544463441 1127975807 /nfs/dbraw/zinc/97/58/07/1127975807.db2.gz CXSYCWICXVLZFX-UHFFFAOYSA-N 0 1 285.416 3.729 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1csc(CC)n1 ZINC000544529518 1127976184 /nfs/dbraw/zinc/97/61/84/1127976184.db2.gz HOXMNTLXHMAELW-CYBMUJFWSA-N 0 1 252.427 3.860 20 0 CHADMN CC(C)CC[C@@H](NCc1nnc(C2CC2)o1)C(C)(C)C ZINC000540590563 1127985303 /nfs/dbraw/zinc/98/53/03/1127985303.db2.gz NZJDAIQSSZGINH-CYBMUJFWSA-N 0 1 279.428 3.888 20 0 CHADMN Cc1cccc(C)c1[C@H](C)NCc1cn2ccccc2n1 ZINC000544841354 1127985999 /nfs/dbraw/zinc/98/59/99/1127985999.db2.gz LKSDQAUXKMSABD-HNNXBMFYSA-N 0 1 279.387 3.802 20 0 CHADMN CCc1nocc1C[N@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000507101379 1127990645 /nfs/dbraw/zinc/99/06/45/1127990645.db2.gz DLYKKPYLUQCIAY-KRWDZBQOSA-N 0 1 270.376 3.883 20 0 CHADMN Cc1ccc([C@@H](C)Oc2n[nH]c(=O)cc2Cl)c(C)c1 ZINC001233587325 1127992326 /nfs/dbraw/zinc/99/23/26/1127992326.db2.gz PRJQXHXXXIGGHM-SNVBAGLBSA-N 0 1 278.739 3.592 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CC[C@@](C)(CC)C1 ZINC000468124199 1127992428 /nfs/dbraw/zinc/99/24/28/1127992428.db2.gz MNDJLAVKDDHUHU-QGZVFWFLSA-N 0 1 289.398 3.817 20 0 CHADMN CC[C@]1(C)CCN(CC(=O)Nc2ccccc2C(C)C)C1 ZINC000468122518 1127993137 /nfs/dbraw/zinc/99/31/37/1127993137.db2.gz WOMOTLYGFRXBMX-GOSISDBHSA-N 0 1 288.435 3.871 20 0 CHADMN CC(C)[C@H](N[C@@H](C)C1CCCC1)C(=O)OC(C)(C)C ZINC000540749652 1127993464 /nfs/dbraw/zinc/99/34/64/1127993464.db2.gz LYKBAHYRVWWVPF-JSGCOSHPSA-N 0 1 269.429 3.521 20 0 CHADMN CC[C@]1(C)CCN(CC(=O)Nc2cccc(Cl)c2C)C1 ZINC000468137142 1127993744 /nfs/dbraw/zinc/99/37/44/1127993744.db2.gz UWNRRAVSLHJPSJ-MRXNPFEDSA-N 0 1 294.826 3.709 20 0 CHADMN CC(C)c1ccc(C[C@@H]2CC[N@@H+](Cc3ccno3)C2)cc1 ZINC000545184023 1128003728 /nfs/dbraw/zinc/00/37/28/1128003728.db2.gz ASANTTCBSRWSCX-INIZCTEOSA-N 0 1 284.403 3.863 20 0 CHADMN CCc1ccc(CN2CCCC[C@H]2c2ccnn2C)s1 ZINC000545278368 1128009345 /nfs/dbraw/zinc/00/93/45/1128009345.db2.gz BQLLXGKUZLVPMK-INIZCTEOSA-N 0 1 289.448 3.771 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2c(C)cccc2C)nc1 ZINC000545469879 1128014934 /nfs/dbraw/zinc/01/49/34/1128014934.db2.gz ZQDSRIYCMKVOCW-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN Cc1ccc(CN[C@H](C)c2c(C)cccc2C)nc1 ZINC000545469880 1128015424 /nfs/dbraw/zinc/01/54/24/1128015424.db2.gz ZQDSRIYCMKVOCW-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN Fc1ccccc1CCN1CCc2c(F)cccc2C1 ZINC000468930289 1128028239 /nfs/dbraw/zinc/02/82/39/1128028239.db2.gz HTFAHXLUNGTQPC-UHFFFAOYSA-N 0 1 273.326 3.566 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)NC2(C3CC3)CC2)n1 ZINC000541594583 1128030338 /nfs/dbraw/zinc/03/03/38/1128030338.db2.gz DMMSIXOHBNLOPT-LBPRGKRZSA-N 0 1 283.375 3.638 20 0 CHADMN C[N@@H+](CCOCC(F)F)Cc1cc(Cl)cc(Cl)c1 ZINC000469022248 1128032410 /nfs/dbraw/zinc/03/24/10/1128032410.db2.gz RDNBDHIAJYYFHB-UHFFFAOYSA-N 0 1 298.160 3.707 20 0 CHADMN Cc1ccc(Cc2nc(-c3ccc4[nH]cnc4c3)no2)cc1 ZINC000545744834 1128031918 /nfs/dbraw/zinc/03/19/18/1128031918.db2.gz DIDOEXBNQPUGTD-UHFFFAOYSA-N 0 1 290.326 3.512 20 0 CHADMN Cc1cccc2nc(CNC(=O)[C@H]3CCCCC3(C)C)[nH]c21 ZINC000469032388 1128032046 /nfs/dbraw/zinc/03/20/46/1128032046.db2.gz PDJYQLWRTBJKSE-CYBMUJFWSA-N 0 1 299.418 3.704 20 0 CHADMN C[C@H]1CN(CCc2ccccc2F)C[C@H](c2ccccc2)O1 ZINC000469184986 1128037559 /nfs/dbraw/zinc/03/75/59/1128037559.db2.gz XQDDRUHIMPDHGF-HNAYVOBHSA-N 0 1 299.389 3.830 20 0 CHADMN Fc1ccc(/C=C\CN2CCC(C(F)F)CC2)c(F)c1 ZINC000541772876 1128038148 /nfs/dbraw/zinc/03/81/48/1128038148.db2.gz LOGBCZNZSXGYLC-UPHRSURJSA-N 0 1 287.300 3.955 20 0 CHADMN CCCCCC(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000469264001 1128039160 /nfs/dbraw/zinc/03/91/60/1128039160.db2.gz MRPDSVVEYBBLRR-OAHLLOKOSA-N 0 1 290.407 3.591 20 0 CHADMN CCc1ccc(-c2noc(CN3CCC[C@H](C)C3)n2)cc1 ZINC000302753426 1128041446 /nfs/dbraw/zinc/04/14/46/1128041446.db2.gz ZAWUYCGEFHHWGD-ZDUSSCGKSA-N 0 1 285.391 3.531 20 0 CHADMN OC[C@@H](NCCCC1CCCC1)c1c(F)cccc1F ZINC000541958691 1128045068 /nfs/dbraw/zinc/04/50/68/1128045068.db2.gz RUDCCMSMODPGOC-OAHLLOKOSA-N 0 1 283.362 3.558 20 0 CHADMN COCCN1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000469510967 1128045663 /nfs/dbraw/zinc/04/56/63/1128045663.db2.gz URLPKOYXSDIFEN-AWEZNQCLSA-N 0 1 287.325 3.879 20 0 CHADMN CC1(c2ccccc2)CCN(Cc2ccc(F)cn2)CC1 ZINC000469722943 1128050244 /nfs/dbraw/zinc/05/02/44/1128050244.db2.gz KHOIXCLVSKRCEV-UHFFFAOYSA-N 0 1 284.378 3.774 20 0 CHADMN CCc1cnc(C[N@@H+](C)[C@H](C)Cc2ccsc2)s1 ZINC000542164807 1128053700 /nfs/dbraw/zinc/05/37/00/1128053700.db2.gz UNZIPRHHWAIRCR-LLVKDONJSA-N 0 1 280.462 3.830 20 0 CHADMN CCc1cnc(CN(C)[C@H](C)Cc2ccsc2)s1 ZINC000542164807 1128053706 /nfs/dbraw/zinc/05/37/06/1128053706.db2.gz UNZIPRHHWAIRCR-LLVKDONJSA-N 0 1 280.462 3.830 20 0 CHADMN Cc1cccc([C@@H]2CC[N@H+](Cc3nc(CC(C)C)no3)C2)c1 ZINC000542322135 1128063924 /nfs/dbraw/zinc/06/39/24/1128063924.db2.gz GGRXRKMQWPCJDB-MRXNPFEDSA-N 0 1 299.418 3.566 20 0 CHADMN Cc1cccc([C@@H]2CCN(Cc3nc(CC(C)C)no3)C2)c1 ZINC000542322135 1128063930 /nfs/dbraw/zinc/06/39/30/1128063930.db2.gz GGRXRKMQWPCJDB-MRXNPFEDSA-N 0 1 299.418 3.566 20 0 CHADMN CCc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000542320456 1128063943 /nfs/dbraw/zinc/06/39/43/1128063943.db2.gz RIVWJVBXFKHDNC-OAHLLOKOSA-N 0 1 288.435 3.556 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H]2CCC3(CCCC3)O2)cs1 ZINC000669933159 1128068531 /nfs/dbraw/zinc/06/85/31/1128068531.db2.gz JVCFYPVNPXGQTQ-YPMHNXCESA-N 0 1 280.437 3.594 20 0 CHADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C1CCCCCC1 ZINC000470347739 1128069391 /nfs/dbraw/zinc/06/93/91/1128069391.db2.gz XNMIJFFERMCNBP-UHFFFAOYSA-N 0 1 291.439 3.636 20 0 CHADMN CC(C)CCO[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001205085991 1128069522 /nfs/dbraw/zinc/06/95/22/1128069522.db2.gz UBBKJMOFNFECAO-HNNXBMFYSA-N 0 1 281.827 3.977 20 0 CHADMN Cc1ccc2c(c1)nc(CNCc1c(C)cccc1C)n2C ZINC000470542267 1128073513 /nfs/dbraw/zinc/07/35/13/1128073513.db2.gz NKIWGZWHIXBIIE-UHFFFAOYSA-N 0 1 293.414 3.788 20 0 CHADMN Cc1nc2ccccc2nc1CN[C@@H](C)c1ccsc1 ZINC000669937653 1128075338 /nfs/dbraw/zinc/07/53/38/1128075338.db2.gz NVUDLWSLBWFNPG-NSHDSACASA-N 0 1 283.400 3.851 20 0 CHADMN C[C@@H](N[C@@H](C)C(=O)N(C)C1CCCCC1)c1ccsc1 ZINC000669938830 1128075736 /nfs/dbraw/zinc/07/57/36/1128075736.db2.gz ATVDSCXILNAXFB-OLZOCXBDSA-N 0 1 294.464 3.578 20 0 CHADMN COc1cc(C)c(C)cc1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001238758326 1131241856 /nfs/dbraw/zinc/24/18/56/1131241856.db2.gz PUPKURCMEBLINI-GASCZTMLSA-N 0 1 295.373 3.789 20 0 CHADMN CCC(C)(C)N(C)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000471002300 1128084985 /nfs/dbraw/zinc/08/49/85/1128084985.db2.gz YDWTXABGESLANM-UHFFFAOYSA-N 0 1 291.370 3.805 20 0 CHADMN CCc1noc([C@@H](C)N2CC[C@H](c3ccc(C)cc3C)C2)n1 ZINC000470999820 1128085433 /nfs/dbraw/zinc/08/54/33/1128085433.db2.gz CIZQXAXUGWYUID-CABCVRRESA-N 0 1 299.418 3.799 20 0 CHADMN CCOc1ccc(CN2CCC(C)=C(c3ccco3)C2)nc1 ZINC000669945029 1128088516 /nfs/dbraw/zinc/08/85/16/1128088516.db2.gz WJFVAGXQXMXZCL-UHFFFAOYSA-N 0 1 298.386 3.753 20 0 CHADMN Cc1ccc(-c2noc([C@@H]3CCCN3C(C)C)n2)s1 ZINC000924091996 1128089651 /nfs/dbraw/zinc/08/96/51/1128089651.db2.gz YOHKVLFNWIAYHD-NSHDSACASA-N 0 1 277.393 3.652 20 0 CHADMN CC1(C)CCN(Cc2ncc(-c3ccccc3F)o2)C1 ZINC000174249656 1128099230 /nfs/dbraw/zinc/09/92/30/1128099230.db2.gz GKRDAKWPMZVMRO-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1ccnnc1 ZINC000924542913 1128103022 /nfs/dbraw/zinc/10/30/22/1128103022.db2.gz OWZXUOZDRBMNTI-WDEREUQCSA-N 0 1 261.756 3.542 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2cccc3c2OCO3)c1 ZINC000924597376 1128106284 /nfs/dbraw/zinc/10/62/84/1128106284.db2.gz JCQBVRUWPOIDQJ-ZDUSSCGKSA-N 0 1 269.344 3.575 20 0 CHADMN COCc1ccccc1CN[C@@H](C)c1cc(O)cc(F)c1 ZINC000924602194 1128107370 /nfs/dbraw/zinc/10/73/70/1128107370.db2.gz WKCOKAFOUFDRCZ-LBPRGKRZSA-N 0 1 289.350 3.529 20 0 CHADMN CCOCc1ccccc1CN[C@H](C)c1ccns1 ZINC000924601379 1128107375 /nfs/dbraw/zinc/10/73/75/1128107375.db2.gz DKLTWOLVJSVNBQ-GFCCVEGCSA-N 0 1 276.405 3.530 20 0 CHADMN C[C@@H](N[C@H]1CCCc2occc21)c1cccc2c1OCO2 ZINC000924642107 1128109027 /nfs/dbraw/zinc/10/90/27/1128109027.db2.gz AKTCTGLREABZTE-RISCZKNCSA-N 0 1 285.343 3.737 20 0 CHADMN C[C@H](NCc1ccsc1)c1cccc(Br)n1 ZINC000924665233 1128109170 /nfs/dbraw/zinc/10/91/70/1128109170.db2.gz KMCMTLFEXQMNHL-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN C[C@H](NCC1(c2ccc(F)cc2)CCCC1)c1ncco1 ZINC000924687818 1128110248 /nfs/dbraw/zinc/11/02/48/1128110248.db2.gz KKUUCMDUAKSYJA-ZDUSSCGKSA-N 0 1 288.366 3.976 20 0 CHADMN CCOc1ccccc1[C@H](CC)N[C@@H](C)c1ccnnc1 ZINC000924897294 1128115886 /nfs/dbraw/zinc/11/58/86/1128115886.db2.gz OVBSBGHPRFZLSI-BBRMVZONSA-N 0 1 285.391 3.677 20 0 CHADMN C[C@@H](NCC(C)(C)c1ccccc1Cl)c1ncco1 ZINC000924933193 1128116540 /nfs/dbraw/zinc/11/65/40/1128116540.db2.gz HQASGCDWNGRIRK-LLVKDONJSA-N 0 1 278.783 3.956 20 0 CHADMN CC[C@@H](N[C@H]1CCc2c1cccc2O)c1cccc(OC)n1 ZINC000924967627 1128118259 /nfs/dbraw/zinc/11/82/59/1128118259.db2.gz NFGFOCXZMLXSQG-CABCVRRESA-N 0 1 298.386 3.524 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H](C)c1cn(C)cn1)C(C)C ZINC000925046163 1128120116 /nfs/dbraw/zinc/12/01/16/1128120116.db2.gz TWKNCTCWPHFLLI-WMLDXEAASA-N 0 1 271.408 3.776 20 0 CHADMN CC[C@@H](N[C@H](C)c1cc(O)cc(F)c1)c1ccncc1 ZINC000925132835 1128123130 /nfs/dbraw/zinc/12/31/30/1128123130.db2.gz YWMIVFHTDGDZGE-BDJLRTHQSA-N 0 1 274.339 3.728 20 0 CHADMN COc1ccccc1[C@@H](N[C@H]1CC=CCC1)c1ccccn1 ZINC000925436040 1128129520 /nfs/dbraw/zinc/12/95/20/1128129520.db2.gz CDYLGEQKXJCHLS-HNAYVOBHSA-N 0 1 294.398 3.878 20 0 CHADMN CCC[C@@H](N[C@@H]1CCC1(OC)OC)c1ccc(F)cc1F ZINC000925265093 1128126817 /nfs/dbraw/zinc/12/68/17/1128126817.db2.gz QMFBSUUYLGLALU-HUUCEWRRSA-N 0 1 299.361 3.547 20 0 CHADMN CSc1cc(CN[C@H](c2ccccn2)C2CCC2)ccn1 ZINC000925293350 1128127833 /nfs/dbraw/zinc/12/78/33/1128127833.db2.gz AFRUQFVGEANVIP-KRWDZBQOSA-N 0 1 299.443 3.830 20 0 CHADMN C[C@H]1CCN1C(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000914155533 1128128255 /nfs/dbraw/zinc/12/82/55/1128128255.db2.gz DSWCARWNALNQKS-JTQLQIEISA-N 0 1 297.383 3.526 20 0 CHADMN CCC[C@@H](C)N(C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000493230760 1128129122 /nfs/dbraw/zinc/12/91/22/1128129122.db2.gz PQIDKPUUXZSGHI-OAHLLOKOSA-N 0 1 297.446 3.981 20 0 CHADMN CC(C)c1nc([C@@H](C)NC2CC3(C2)CO[C@@H](C)C3)cs1 ZINC000925447388 1128129295 /nfs/dbraw/zinc/12/92/95/1128129295.db2.gz XCUXHNHWKJLZHP-BEBLISSESA-N 0 1 294.464 3.875 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1C[C@H]1C1CCCCC1 ZINC000925463898 1128129977 /nfs/dbraw/zinc/12/99/77/1128129977.db2.gz BDUSNIWEPOPGBY-SOUVJXGZSA-N 0 1 274.408 3.919 20 0 CHADMN CC(C)(CC[N@H+]1CCc2c(cccc2C(=O)[O-])C1)C1CC1 ZINC000406051043 1128130586 /nfs/dbraw/zinc/13/05/86/1128130586.db2.gz HIBZHMAZLQMESV-UHFFFAOYSA-N 0 1 287.403 3.569 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c[nH]nc21)c1coc2ccccc12 ZINC000925548754 1128131598 /nfs/dbraw/zinc/13/15/98/1128131598.db2.gz DIZJRZQDPVBNBG-ABAIWWIYSA-N 0 1 281.359 3.884 20 0 CHADMN Cc1cc([C@H](C)N2CCOc3ccc(N)cc3C2)cs1 ZINC000925752898 1128140146 /nfs/dbraw/zinc/14/01/46/1128140146.db2.gz BHRYHOBWUTYOER-LBPRGKRZSA-N 0 1 288.416 3.594 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](N[C@@H](C)c1cnnn1C)CCC2 ZINC000925656379 1128135831 /nfs/dbraw/zinc/13/58/31/1128135831.db2.gz ZRXIPCGNXUNVNB-SUMWQHHRSA-N 0 1 298.434 3.667 20 0 CHADMN C[C@H](N[C@H](c1cccnc1)C1CC1)c1cccc2c1OCO2 ZINC000925641162 1128135837 /nfs/dbraw/zinc/13/58/37/1128135837.db2.gz AVMQLICRHYULIN-SJCJKPOMSA-N 0 1 296.370 3.612 20 0 CHADMN C[C@H](N[C@@H](c1cccnc1)C1CC1)c1cc(O)cc(F)c1 ZINC000925646294 1128135862 /nfs/dbraw/zinc/13/58/62/1128135862.db2.gz SIGKHHBVMQBIMH-APPDUMDISA-N 0 1 286.350 3.728 20 0 CHADMN FC1(F)CC[C@@H](N[C@@H]2COCc3cccc(Cl)c32)C1 ZINC000925929078 1128146890 /nfs/dbraw/zinc/14/68/90/1128146890.db2.gz JCQQJGKKYVSRHB-ZYHUDNBSSA-N 0 1 287.737 3.689 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCCC(C)C)n2)cc1 ZINC000494090018 1128155505 /nfs/dbraw/zinc/15/55/05/1128155505.db2.gz UZBPXCIXXPUEOB-UHFFFAOYSA-N 0 1 261.394 3.918 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccnn1C1CCC1 ZINC000926126345 1128155735 /nfs/dbraw/zinc/15/57/35/1128155735.db2.gz CEBNYNGMGNDPRE-NWDGAFQWSA-N 0 1 288.370 3.554 20 0 CHADMN C[C@@H](N[C@H](C)c1cncc(F)c1)c1cnn(C2CCC2)c1 ZINC000926125941 1128155990 /nfs/dbraw/zinc/15/59/90/1128155990.db2.gz AQOZZQZQBDEVIV-VXGBXAGGSA-N 0 1 288.370 3.554 20 0 CHADMN Cc1cc(C)cc([C@H](NCCOC(C)C)c2cccnc2)c1 ZINC000926153522 1128157276 /nfs/dbraw/zinc/15/72/76/1128157276.db2.gz CTLSMQNQQBYXKW-LJQANCHMSA-N 0 1 298.430 3.802 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H]2c3ccccc3CCC[C@H]2C)c2ncnn21 ZINC000926178579 1128159032 /nfs/dbraw/zinc/15/90/32/1128159032.db2.gz QNILRDZAAKSQPM-BQGCOEIASA-N 0 1 296.418 3.587 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](N[C@H](C)c1cn(C)cn1)CC2 ZINC000926227948 1128161695 /nfs/dbraw/zinc/16/16/95/1128161695.db2.gz WZIFASBDRHDISD-DYVFJYSZSA-N 0 1 283.419 3.882 20 0 CHADMN CCC[C@H](NC1CC(F)(F)C1)c1ncccc1Cl ZINC000926283912 1128165301 /nfs/dbraw/zinc/16/53/01/1128165301.db2.gz CABLVIDAOLCTEA-NSHDSACASA-N 0 1 274.742 3.964 20 0 CHADMN C/C(=C\c1ccccc1)C[N@H+](C)Cc1cnc2ccccn12 ZINC000494292067 1128168974 /nfs/dbraw/zinc/16/89/74/1128168974.db2.gz BZFRDVVILMKMLF-FOWTUZBSSA-N 0 1 291.398 3.870 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1cnc2ccccn12 ZINC000494292067 1128168975 /nfs/dbraw/zinc/16/89/75/1128168975.db2.gz BZFRDVVILMKMLF-FOWTUZBSSA-N 0 1 291.398 3.870 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2NCC(C)(C)C(F)(F)F ZINC000926366981 1128169677 /nfs/dbraw/zinc/16/96/77/1128169677.db2.gz JFHOBKSWSZYSQQ-VIFPVBQESA-N 0 1 276.302 3.539 20 0 CHADMN CCCc1csc(CNCCc2c(F)cccc2F)n1 ZINC000494322358 1128170002 /nfs/dbraw/zinc/17/00/02/1128170002.db2.gz HTCOBNOIUCDPLK-UHFFFAOYSA-N 0 1 296.386 3.706 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccsc1)c1cccc(OC)n1 ZINC000926368514 1128170189 /nfs/dbraw/zinc/17/01/89/1128170189.db2.gz DBCOHFIFNCOBKJ-WCQYABFASA-N 0 1 276.405 3.954 20 0 CHADMN CCOc1ccc(C[N@@H+](C)Cc2ccccc2)cc1F ZINC000494338853 1128170172 /nfs/dbraw/zinc/17/01/72/1128170172.db2.gz LYCHNDLQKQXZTN-UHFFFAOYSA-N 0 1 273.351 3.856 20 0 CHADMN CCC(CC)n1ccc(CN[C@@H](CC)[C@H]2CCCCO2)n1 ZINC000653874220 1128170589 /nfs/dbraw/zinc/17/05/89/1128170589.db2.gz COOWTQKHCZNHIP-DLBZAZTESA-N 0 1 293.455 3.682 20 0 CHADMN CCC(CC)n1ccc(CN[C@H](CC)[C@@H]2CCCCO2)n1 ZINC000653874223 1128170932 /nfs/dbraw/zinc/17/09/32/1128170932.db2.gz COOWTQKHCZNHIP-SJORKVTESA-N 0 1 293.455 3.682 20 0 CHADMN CC(C)SCCN[C@@H]1COCc2cccc(Cl)c21 ZINC000926423369 1128170946 /nfs/dbraw/zinc/17/09/46/1128170946.db2.gz PEOOOYMMSLWPOY-CYBMUJFWSA-N 0 1 285.840 3.643 20 0 CHADMN Cc1cc2cc(CN[C@H](C)c3ccns3)ccc2[nH]1 ZINC000926417860 1128171032 /nfs/dbraw/zinc/17/10/32/1128171032.db2.gz NLKKMJBEMNUYOA-LLVKDONJSA-N 0 1 271.389 3.784 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2NC1CC(C(C)(C)C)C1 ZINC000926483827 1128174722 /nfs/dbraw/zinc/17/47/22/1128174722.db2.gz YVIZCNVFNMUIGL-BPCQOVAHSA-N 0 1 262.397 3.775 20 0 CHADMN CC(F)(F)CCN[C@@H]1COCc2cccc(Cl)c21 ZINC000926495426 1128175495 /nfs/dbraw/zinc/17/54/95/1128175495.db2.gz QZIBIZISHFDSOD-LLVKDONJSA-N 0 1 275.726 3.546 20 0 CHADMN CC(C)=C1CC[C@@H](C)C[C@H]1NCc1nnc(C(C)C)[nH]1 ZINC000926506610 1128177210 /nfs/dbraw/zinc/17/72/10/1128177210.db2.gz QWMYFTREOYUUJK-TZMCWYRMSA-N 0 1 276.428 3.543 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(OC(F)(F)F)cc1 ZINC000222462505 1128177583 /nfs/dbraw/zinc/17/75/83/1128177583.db2.gz RPZQLTPKGOVWTF-ZJUUUORDSA-N 0 1 299.296 3.720 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]1c1ccccc1F)c1cn2c(n1)CCCC2 ZINC000926569349 1128181330 /nfs/dbraw/zinc/18/13/30/1128181330.db2.gz QPHMBUDDZPWSNA-DUVNUKRYSA-N 0 1 299.393 3.565 20 0 CHADMN COc1cc([C@@H](C)NCc2ccc(C)c3ccccc23)on1 ZINC000926576614 1128181824 /nfs/dbraw/zinc/18/18/24/1128181824.db2.gz FEQRIAWHDLOGCA-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN Cc1[nH]c2ccc(CNCc3cncc(F)c3)cc2c1C ZINC000494620412 1128183798 /nfs/dbraw/zinc/18/37/98/1128183798.db2.gz OBPHLCIJGALUFE-UHFFFAOYSA-N 0 1 283.350 3.609 20 0 CHADMN Cc1ccccc1C1(N[C@H](C)c2ccns2)CC1 ZINC000926629151 1128184792 /nfs/dbraw/zinc/18/47/92/1128184792.db2.gz YVLCSXSCYKIJHH-GFCCVEGCSA-N 0 1 258.390 3.791 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCC[C@H](OCC2CC2)C1 ZINC000494706722 1128186043 /nfs/dbraw/zinc/18/60/43/1128186043.db2.gz GGNIKBIAWBDGNN-DOMZBBRYSA-N 0 1 295.373 3.917 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1ccnnc1)c1ccccc1F ZINC000926692365 1128188696 /nfs/dbraw/zinc/18/86/96/1128188696.db2.gz IALUUZQGIQHTSV-MLGOLLRUSA-N 0 1 273.355 3.664 20 0 CHADMN COc1cc([C@@H](C)N[C@H]2CCCc3c(C)cccc32)on1 ZINC000926729512 1128190603 /nfs/dbraw/zinc/19/06/03/1128190603.db2.gz NRJGMEKUPJGIRL-DOMZBBRYSA-N 0 1 286.375 3.720 20 0 CHADMN CC(C)[C@@H]1C[C@H](N[C@H](C)c2cn(C)cn2)c2ccccc21 ZINC000926759680 1128192273 /nfs/dbraw/zinc/19/22/73/1128192273.db2.gz DVWDNNKCPBQWSX-COXVUDFISA-N 0 1 283.419 3.955 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](C)c2ccnn2C2CCC2)s1 ZINC000926788052 1128194723 /nfs/dbraw/zinc/19/47/23/1128194723.db2.gz YWQKMMRBZZTDSD-QWRGUYRKSA-N 0 1 290.436 3.785 20 0 CHADMN C[C@@H](NCc1ccc(C(C)(C)C)o1)c1cc[nH]c(=O)c1 ZINC000926802982 1128195527 /nfs/dbraw/zinc/19/55/27/1128195527.db2.gz KZKWJUHZWRWJMA-LLVKDONJSA-N 0 1 274.364 3.529 20 0 CHADMN FC(F)(F)[C@@H](Nc1cncc2cc[nH]c21)c1ccccn1 ZINC001168480745 1128244372 /nfs/dbraw/zinc/24/43/72/1128244372.db2.gz TTYSJHISCXZHJN-ZDUSSCGKSA-N 0 1 292.264 3.673 20 0 CHADMN CCC[C@H](C)c1noc(-c2cc(Cl)ccc2O)n1 ZINC000761849136 1128244467 /nfs/dbraw/zinc/24/44/67/1128244467.db2.gz KGGCAPDKBBNLPW-QMMMGPOBSA-N 0 1 266.728 3.999 20 0 CHADMN Cc1ccc([C@@H](C)Nc2ccc(CN(C)C)c(F)c2)o1 ZINC000777702622 1128246302 /nfs/dbraw/zinc/24/63/02/1128246302.db2.gz ZFIKACVSPLKPMD-GFCCVEGCSA-N 0 1 276.355 3.962 20 0 CHADMN C[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1ccco1 ZINC000777701304 1128247198 /nfs/dbraw/zinc/24/71/98/1128247198.db2.gz LLVDLYLDJRLMNY-LLVKDONJSA-N 0 1 262.328 3.653 20 0 CHADMN C[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1cscn1 ZINC000777700855 1128247277 /nfs/dbraw/zinc/24/72/77/1128247277.db2.gz JSZZJPQISHZICT-SNVBAGLBSA-N 0 1 279.384 3.517 20 0 CHADMN CCCC(CCC)N(CC(=O)OC)Cc1ccccc1 ZINC001257340536 1128252297 /nfs/dbraw/zinc/25/22/97/1128252297.db2.gz JJHXVESWJPGKDK-UHFFFAOYSA-N 0 1 277.408 3.630 20 0 CHADMN FCc1ccc(C[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000777715563 1128252836 /nfs/dbraw/zinc/25/28/36/1128252836.db2.gz BZQWLHIGFCPPBV-UHFFFAOYSA-N 0 1 273.326 3.854 20 0 CHADMN FCc1ccc(CN2CCc3cc(F)ccc3C2)cc1 ZINC000777715563 1128252838 /nfs/dbraw/zinc/25/28/38/1128252838.db2.gz BZQWLHIGFCPPBV-UHFFFAOYSA-N 0 1 273.326 3.854 20 0 CHADMN CN1CC[N@@H+](Cc2ccc(CF)cc2)[C@H](c2ccccc2)C1 ZINC000777714645 1128253029 /nfs/dbraw/zinc/25/30/29/1128253029.db2.gz XVKCHVYBLHBBMZ-IBGZPJMESA-N 0 1 298.405 3.645 20 0 CHADMN FCc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000777712378 1128253496 /nfs/dbraw/zinc/25/34/96/1128253496.db2.gz ADODYILZGMUMHZ-KRWDZBQOSA-N 0 1 270.351 3.888 20 0 CHADMN C[C@H](NCC1OCCO1)c1ccccc1Oc1ccccc1 ZINC000777722518 1128254070 /nfs/dbraw/zinc/25/40/70/1128254070.db2.gz UKWWOOSWXYGCQJ-AWEZNQCLSA-N 0 1 299.370 3.502 20 0 CHADMN C[C@@H](CN1CCc2c(ncn2-c2ccccc2)C1)C(C)(C)C ZINC000929063958 1128256132 /nfs/dbraw/zinc/25/61/32/1128256132.db2.gz HTFRYWFRSBNGIJ-HNNXBMFYSA-N 0 1 297.446 3.913 20 0 CHADMN C[C@H](NC[C@H](O)c1ccccc1)c1nc2ccccc2s1 ZINC000035114544 1128257498 /nfs/dbraw/zinc/25/74/98/1128257498.db2.gz CDPPFADKFJMJMH-WFASDCNBSA-N 0 1 298.411 3.681 20 0 CHADMN Cc1nnsc1[C@@H](C)N1CCC[C@H]1c1cccs1 ZINC000929130542 1128259562 /nfs/dbraw/zinc/25/95/62/1128259562.db2.gz AZLQOWSDKFSSLZ-MNOVXSKESA-N 0 1 279.434 3.806 20 0 CHADMN CCN(Cc1cccs1)[C@@H](C)c1ccc(F)nc1 ZINC000929134007 1128259646 /nfs/dbraw/zinc/25/96/46/1128259646.db2.gz ZQQOEDRQTGHUBV-NSHDSACASA-N 0 1 264.369 3.865 20 0 CHADMN CCCN(CCC)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000929153178 1128261149 /nfs/dbraw/zinc/26/11/49/1128261149.db2.gz RWGABHDXIWJZSH-UHFFFAOYSA-N 0 1 295.333 3.763 20 0 CHADMN Cc1nc(C)c(CN(C)Cc2ccc3ccccc3c2)[nH]1 ZINC000929178045 1128262524 /nfs/dbraw/zinc/26/25/24/1128262524.db2.gz FNYFDDSQYGNVHD-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@H]2c2cccc(F)c2)[nH]1 ZINC000929313896 1128269361 /nfs/dbraw/zinc/26/93/61/1128269361.db2.gz KLESUCJRYSIVMR-INIZCTEOSA-N 0 1 273.355 3.503 20 0 CHADMN c1cnc([C@@H](NC2CC3(C2)CCCCC3)C2CC2)nc1 ZINC000926894238 1128200419 /nfs/dbraw/zinc/20/04/19/1128200419.db2.gz LZWXXPXIIBEJCT-HNNXBMFYSA-N 0 1 271.408 3.630 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](C)c2ccc(F)cc2C)c(C)n1 ZINC000926902910 1128201696 /nfs/dbraw/zinc/20/16/96/1128201696.db2.gz NULLSHBQZJZPRV-NWDGAFQWSA-N 0 1 287.382 3.953 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccc(F)cn2)cc1C ZINC000926902012 1128201719 /nfs/dbraw/zinc/20/17/19/1128201719.db2.gz DBVHMQAXUZLXBZ-STQMWFEESA-N 0 1 288.366 3.950 20 0 CHADMN Cc1cccc(C2(Nc3nc(C)cc4cc[nH]c43)COC2)c1 ZINC001168471777 1128202232 /nfs/dbraw/zinc/20/22/32/1128202232.db2.gz UWADTWUIJSHVTK-UHFFFAOYSA-N 0 1 293.370 3.517 20 0 CHADMN CCCc1csc(CN[C@@H]2CCCO[C@@H]2CC(C)C)n1 ZINC000494843807 1128204744 /nfs/dbraw/zinc/20/47/44/1128204744.db2.gz BTESIRMUQKODJG-HUUCEWRRSA-N 0 1 296.480 3.779 20 0 CHADMN Cc1cnc(CN[C@H](C)c2ccc(F)cc2C)c(C)c1 ZINC000926958713 1128205854 /nfs/dbraw/zinc/20/58/54/1128205854.db2.gz HBAZWULMEAUAOC-CQSZACIVSA-N 0 1 272.367 3.997 20 0 CHADMN Cc1ccc(CNCc2ccc(C3CCC3)cc2)nc1 ZINC000494848679 1128206515 /nfs/dbraw/zinc/20/65/15/1128206515.db2.gz YFHAPIMEYPRVRW-UHFFFAOYSA-N 0 1 266.388 3.947 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@]2(C)CCCCO2)cs1 ZINC000927017006 1128208127 /nfs/dbraw/zinc/20/81/27/1128208127.db2.gz HWMKCWSVGIAPGG-WFASDCNBSA-N 0 1 282.453 3.876 20 0 CHADMN Oc1ccc2c(c1)[C@H](N[C@@H]1CCCc3cccnc31)CCC2 ZINC000927060979 1128212417 /nfs/dbraw/zinc/21/24/17/1128212417.db2.gz HZWPFYXGGDZZTB-QZTJIDSGSA-N 0 1 294.398 3.832 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2cccnc21)c1ccccc1N(C)C ZINC000927059638 1128212485 /nfs/dbraw/zinc/21/24/85/1128212485.db2.gz JPAHDBBSSUWRLE-RHSMWYFYSA-N 0 1 295.430 3.876 20 0 CHADMN Oc1cccc2c1CCC[C@H]2N[C@@H]1CCCc2cccnc21 ZINC000927061839 1128212951 /nfs/dbraw/zinc/21/29/51/1128212951.db2.gz UBBTYAGKQXGUKL-IAGOWNOFSA-N 0 1 294.398 3.832 20 0 CHADMN C(=C\c1ccncc1)\C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000494927130 1128213721 /nfs/dbraw/zinc/21/37/21/1128213721.db2.gz YHOVNFOHBGKOHK-GJEJWFRCSA-N 0 1 293.414 3.671 20 0 CHADMN COc1ccc([C@H](N[C@@H](C)c2ccn(C)n2)C2CCC2)cc1 ZINC000927065371 1128214354 /nfs/dbraw/zinc/21/43/54/1128214354.db2.gz DQTAASQDGAXBDE-SCLBCKFNSA-N 0 1 299.418 3.621 20 0 CHADMN CCOc1c(Cl)cccc1CN1CCC(COC)CC1 ZINC000494959755 1128216551 /nfs/dbraw/zinc/21/65/51/1128216551.db2.gz NCXKAHFCJMHBDK-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN Cc1ccsc1[C@@H](C)NCc1cc(C2CC2)n(C)n1 ZINC000927112035 1128218001 /nfs/dbraw/zinc/21/80/01/1128218001.db2.gz DKGJRABFHSTLTP-LLVKDONJSA-N 0 1 275.421 3.518 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCCC(C)(C)C3)n[nH]2)cc1 ZINC000494972539 1128217909 /nfs/dbraw/zinc/21/79/09/1128217909.db2.gz RXJKGKQGYHYTJA-UHFFFAOYSA-N 0 1 297.402 3.647 20 0 CHADMN CCC[C@H](C)NC1(c2cccc(C(F)(F)F)c2)COC1 ZINC001257308383 1128218419 /nfs/dbraw/zinc/21/84/19/1128218419.db2.gz PRHMJUZDOPAMTD-NSHDSACASA-N 0 1 287.325 3.709 20 0 CHADMN CCC[C@@H](NCc1cc(C2CC2)n(C)n1)c1ccccc1 ZINC000927114345 1128219394 /nfs/dbraw/zinc/21/93/94/1128219394.db2.gz TWUXTZLECAIEKF-QGZVFWFLSA-N 0 1 283.419 3.929 20 0 CHADMN COc1cc(C)c(C)cc1CN1CC[C@@H](C(F)(F)F)C1 ZINC001238766227 1131242643 /nfs/dbraw/zinc/24/26/43/1131242643.db2.gz IZBZHNMIHVHXSU-CYBMUJFWSA-N 0 1 287.325 3.696 20 0 CHADMN FCc1ccc(CN2CCc3ccc(F)cc3C2)cc1 ZINC000777621794 1128227088 /nfs/dbraw/zinc/22/70/88/1128227088.db2.gz BMTPZCCIKQSSIA-UHFFFAOYSA-N 0 1 273.326 3.854 20 0 CHADMN C[C@H](c1ccccc1F)N(C)C/C=C/c1ccncc1 ZINC000495078977 1128229298 /nfs/dbraw/zinc/22/92/98/1128229298.db2.gz LUMSFUGZBGNZLR-VBROQKIQSA-N 0 1 270.351 3.927 20 0 CHADMN CCc1ncc(CN(CC)[C@H](C)c2ccc(F)cc2)o1 ZINC000929334007 1128269862 /nfs/dbraw/zinc/26/98/62/1128269862.db2.gz UAPXKHAJLSZCQW-GFCCVEGCSA-N 0 1 276.355 3.959 20 0 CHADMN CCN(Cc1cc(C)nnc1C)[C@H](C)c1ccc(F)cc1 ZINC000929333837 1128270523 /nfs/dbraw/zinc/27/05/23/1128270523.db2.gz RUDHAUSLASULQP-CQSZACIVSA-N 0 1 287.382 3.816 20 0 CHADMN CCCN(Cc1ccc(OC)cc1)Cc1cc(C)nnc1C ZINC000929381819 1128271893 /nfs/dbraw/zinc/27/18/93/1128271893.db2.gz QGJFJHJZOBMLAK-UHFFFAOYSA-N 0 1 299.418 3.514 20 0 CHADMN CN(Cc1coc(C(C)(C)C)n1)CC1CCCC1 ZINC000929410991 1128273524 /nfs/dbraw/zinc/27/35/24/1128273524.db2.gz FOSSOLAFHUXYLP-UHFFFAOYSA-N 0 1 250.386 3.594 20 0 CHADMN Cc1cc(C)nc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000929533062 1128276942 /nfs/dbraw/zinc/27/69/42/1128276942.db2.gz ZMXFWIYDCKFLDK-IBGZPJMESA-N 0 1 296.414 3.662 20 0 CHADMN CCCc1noc(CN[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1 ZINC000495380323 1128278895 /nfs/dbraw/zinc/27/88/95/1128278895.db2.gz PEFZDYFYYLNKTR-HZSPNIEDSA-N 0 1 279.428 3.573 20 0 CHADMN Cc1nnsc1[C@@H](C)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000929647345 1128280971 /nfs/dbraw/zinc/28/09/71/1128280971.db2.gz IDTILHQTLODQGC-UKRRQHHQSA-N 0 1 277.437 3.730 20 0 CHADMN CCc1ncc(CN2CCC(c3ccccc3F)CC2)o1 ZINC000929673130 1128281825 /nfs/dbraw/zinc/28/18/25/1128281825.db2.gz JXQDBEMROJGXIU-UHFFFAOYSA-N 0 1 288.366 3.756 20 0 CHADMN Cc1nc(C)c(CN2C[C@H](C)C[C@H]2c2cccc(F)c2)[nH]1 ZINC000929720917 1128282966 /nfs/dbraw/zinc/28/29/66/1128282966.db2.gz UGPPAELUHBGYCX-DIFFPNOSSA-N 0 1 287.382 3.749 20 0 CHADMN CCOC[C@H]1CCN(Cc2nc(C)c(C(C)(C)C)s2)C1 ZINC000929778406 1128287667 /nfs/dbraw/zinc/28/76/67/1128287667.db2.gz IGZXWXSUKDRORD-ZDUSSCGKSA-N 0 1 296.480 3.607 20 0 CHADMN Cc1nnsc1[C@H](C)N1CCSC2(CCCCC2)C1 ZINC000929807658 1128288451 /nfs/dbraw/zinc/28/84/51/1128288451.db2.gz CJXUPVSDZXXXAR-LBPRGKRZSA-N 0 1 297.493 3.659 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2[nH]c(C)nc2C)o1 ZINC000929760890 1128285147 /nfs/dbraw/zinc/28/51/47/1128285147.db2.gz YAFYZVAOBBNJBE-BZNIZROVSA-N 0 1 287.407 3.901 20 0 CHADMN CCc1cnc(CN(C)CCCC(C)(F)F)s1 ZINC000929773877 1128286311 /nfs/dbraw/zinc/28/63/11/1128286311.db2.gz JZIUEOBNOPVNPU-UHFFFAOYSA-N 0 1 262.369 3.573 20 0 CHADMN CCc1ccc([C@H](NCc2nn(C)cc2C)C(C)C)cc1 ZINC000929862433 1128290846 /nfs/dbraw/zinc/29/08/46/1128290846.db2.gz XDCMXFUXMJLMAG-GOSISDBHSA-N 0 1 285.435 3.778 20 0 CHADMN C[C@@H]1c2ccc(Cl)n2CCN1CCCc1cccnc1 ZINC000930109632 1128300526 /nfs/dbraw/zinc/30/05/26/1128300526.db2.gz IXILMTZMSZZZBL-CYBMUJFWSA-N 0 1 289.810 3.546 20 0 CHADMN COc1cccc(CN(Cc2cccnc2)C2CC2)c1C ZINC000930112353 1128301306 /nfs/dbraw/zinc/30/13/06/1128301306.db2.gz UDFPICMPSNHCCS-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN CC[N@H+](CC(=O)Nc1c(C)cccc1C)CC1CC(C)C1 ZINC000929996856 1128297249 /nfs/dbraw/zinc/29/72/49/1128297249.db2.gz QMIHTCZIBQKXHG-UHFFFAOYSA-N 0 1 288.435 3.610 20 0 CHADMN FC1(F)CC2(CN(C[C@@H]3CCC4(CCCCCC4)O3)C2)C1 ZINC000930128345 1128301746 /nfs/dbraw/zinc/30/17/46/1128301746.db2.gz MAOSGMXGDCCOFL-AWEZNQCLSA-N 0 1 299.405 3.990 20 0 CHADMN FC(F)CN(CC1CCC1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000930131173 1128301975 /nfs/dbraw/zinc/30/19/75/1128301975.db2.gz HEUMDZCNPWWZGZ-ZSBIGDGJSA-N 0 1 279.321 3.645 20 0 CHADMN CC[C@H](N[C@@H](C)c1snnc1C)c1ccc(C)cc1 ZINC000930183375 1128304609 /nfs/dbraw/zinc/30/46/09/1128304609.db2.gz ONLBAOCJHSUEQA-FZMZJTMJSA-N 0 1 275.421 3.957 20 0 CHADMN Cc1cn(C)nc1CN[C@H](CC(C)C)c1ccccc1C ZINC000930218097 1128308484 /nfs/dbraw/zinc/30/84/84/1128308484.db2.gz VJPOKEJZMHMOAW-QGZVFWFLSA-N 0 1 285.435 3.914 20 0 CHADMN O=C1C[C@H](c2ccccc2)N1CN1CCC2(CCCC2)CC1 ZINC000153583138 1128308455 /nfs/dbraw/zinc/30/84/55/1128308455.db2.gz MKVSZIOSBNMPQU-QGZVFWFLSA-N 0 1 298.430 3.574 20 0 CHADMN CC(C)[C@H](NCc1ccc(N)nc1)c1ccccc1Cl ZINC000930224157 1128309079 /nfs/dbraw/zinc/30/90/79/1128309079.db2.gz DDPCVKLZMLMPLL-INIZCTEOSA-N 0 1 289.810 3.804 20 0 CHADMN CSc1ccc([C@H](C)NCc2cc(C)nnc2C)cc1 ZINC000930312633 1128313294 /nfs/dbraw/zinc/31/32/94/1128313294.db2.gz KEGZIURFPOOQIJ-LBPRGKRZSA-N 0 1 287.432 3.666 20 0 CHADMN CCCN(CC(=O)Nc1c(CC)cccc1CC)C1CC1 ZINC000171682806 1128315019 /nfs/dbraw/zinc/31/50/19/1128315019.db2.gz QPBVPKBGFYDRRE-UHFFFAOYSA-N 0 1 288.435 3.624 20 0 CHADMN CCc1cccc(CC)c1NC(=O)[C@H]1CCCN1C(C)C ZINC000930357991 1128315514 /nfs/dbraw/zinc/31/55/14/1128315514.db2.gz FMNMPRWYLSQDMO-MRXNPFEDSA-N 0 1 288.435 3.623 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(Br)cc2N)[C@@H]1C ZINC000094047892 1128321627 /nfs/dbraw/zinc/32/16/27/1128321627.db2.gz QOIKYOVYDXPBHD-GHMZBOCLSA-N 0 1 297.240 3.652 20 0 CHADMN Cc1ncc(CN2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)o1 ZINC000930485782 1128321694 /nfs/dbraw/zinc/32/16/94/1128321694.db2.gz GNZDYRNVSQOMNT-MRXNPFEDSA-N 0 1 296.374 3.505 20 0 CHADMN O=C(C=C(C1CC1)C1CC1)Nc1cccc(Cl)c1O ZINC000762805572 1128318560 /nfs/dbraw/zinc/31/85/60/1128318560.db2.gz MBELLPMQUFIZRL-UHFFFAOYSA-N 0 1 277.751 3.731 20 0 CHADMN C/C(=C/C(=O)Nc1cccc(Cl)c1O)C(C)(C)C ZINC000762804301 1128318844 /nfs/dbraw/zinc/31/88/44/1128318844.db2.gz GPIJJRIYCGQOKN-HJWRWDBZSA-N 0 1 267.756 3.977 20 0 CHADMN O=C(OC/C(Cl)=C\Cl)c1ccc(O)c(Cl)c1 ZINC000762832919 1128320443 /nfs/dbraw/zinc/32/04/43/1128320443.db2.gz XCRABJBZIYHBEO-QPJJXVBHSA-N 0 1 281.522 3.521 20 0 CHADMN CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccccc1CF ZINC000930687617 1128331123 /nfs/dbraw/zinc/33/11/23/1128331123.db2.gz UCZMQGFIUINSOL-UHFFFAOYSA-N 0 1 289.398 3.548 20 0 CHADMN C[C@H](NC[C@H](O)C1CCC1)c1cc(Cl)sc1Cl ZINC000316809170 1128335994 /nfs/dbraw/zinc/33/59/94/1128335994.db2.gz SXNQXAZWLQGWNA-XVKPBYJWSA-N 0 1 294.247 3.867 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1nc(C(C)C)ns1 ZINC000930930447 1128340226 /nfs/dbraw/zinc/34/02/26/1128340226.db2.gz IBFZEICIBNPIDD-SNVBAGLBSA-N 0 1 255.431 3.576 20 0 CHADMN Cc1ncc(CN(Cc2ccsc2)C(C)(C)C)o1 ZINC000930923784 1128340490 /nfs/dbraw/zinc/34/04/90/1128340490.db2.gz QRWJJKSBPXGGHG-UHFFFAOYSA-N 0 1 264.394 3.845 20 0 CHADMN Cc1cc(CN(Cc2ccsc2)C(C)(C)C)c(C)nn1 ZINC000930921094 1128340708 /nfs/dbraw/zinc/34/07/08/1128340708.db2.gz BHWQSEWNDVJXCA-UHFFFAOYSA-N 0 1 289.448 3.956 20 0 CHADMN Cc1ccnc(CN2C[C@H]3[C@H](CCC3(F)F)C2)c1Cl ZINC001235577399 1128342432 /nfs/dbraw/zinc/34/24/32/1128342432.db2.gz AAPOTCJNUYKEPA-MNOVXSKESA-N 0 1 286.753 3.521 20 0 CHADMN Cc1ccnc(CN2CC[C@H](C)C(F)(F)CC2)c1Cl ZINC001235577316 1128342480 /nfs/dbraw/zinc/34/24/80/1128342480.db2.gz QRWOVSSCKLTYDY-NSHDSACASA-N 0 1 288.769 3.911 20 0 CHADMN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1[nH]nc2ccccc21 ZINC000561658409 1128344952 /nfs/dbraw/zinc/34/49/52/1128344952.db2.gz QXOJSSBNBFYTDI-OLZOCXBDSA-N 0 1 299.418 3.850 20 0 CHADMN CCCCC[C@H]1CCCCN1Cc1noc2c1COCC2 ZINC000931066685 1128346009 /nfs/dbraw/zinc/34/60/09/1128346009.db2.gz KVIHBLZEHKKODJ-AWEZNQCLSA-N 0 1 292.423 3.682 20 0 CHADMN FC(F)[C@@H](NCCCc1cccnc1)C1CCCCC1 ZINC000931103078 1128347711 /nfs/dbraw/zinc/34/77/11/1128347711.db2.gz AYJHULNLRKLXON-HNNXBMFYSA-N 0 1 282.378 3.818 20 0 CHADMN C[C@@H](CN(C)[C@H](C)c1ncccn1)C1CCCCC1 ZINC000931256499 1128353782 /nfs/dbraw/zinc/35/37/82/1128353782.db2.gz MCZLJDQNFMOMGY-UONOGXRCSA-N 0 1 261.413 3.686 20 0 CHADMN C[C@@H]1CCC[C@@H](Sc2nc(-c3ccccn3)n[nH]2)C1 ZINC000561793980 1128354216 /nfs/dbraw/zinc/35/42/16/1128354216.db2.gz MTPPWCGFZRBLEQ-GHMZBOCLSA-N 0 1 274.393 3.538 20 0 CHADMN Cc1cn(C)nc1CNC(C)(C)c1ccc2ccccc2c1 ZINC000931335363 1128357421 /nfs/dbraw/zinc/35/74/21/1128357421.db2.gz VHNFMHMIZXIYNY-UHFFFAOYSA-N 0 1 293.414 3.907 20 0 CHADMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)C1CCC1 ZINC000054626892 1128362446 /nfs/dbraw/zinc/36/24/46/1128362446.db2.gz SKSKDGXYDSQZAT-UHFFFAOYSA-N 0 1 281.315 3.562 20 0 CHADMN CC(C)CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000054626924 1128363004 /nfs/dbraw/zinc/36/30/04/1128363004.db2.gz BOKNKLHOGNCABV-UHFFFAOYSA-N 0 1 283.331 3.808 20 0 CHADMN Fc1ccc(/C=C\CN2CCC(C(F)F)CC2)cc1F ZINC000561948860 1128363612 /nfs/dbraw/zinc/36/36/12/1128363612.db2.gz IYNKHBSXLGVCSR-UPHRSURJSA-N 0 1 287.300 3.955 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1scnc1C1CC1 ZINC000561981705 1128366929 /nfs/dbraw/zinc/36/69/29/1128366929.db2.gz DEOJFCCWWYBHLR-AWEZNQCLSA-N 0 1 287.432 3.999 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)nc1)c1cc2cnccc2o1 ZINC000931565993 1128369582 /nfs/dbraw/zinc/36/95/82/1128369582.db2.gz SZMVAJXKQQBVJY-QWRGUYRKSA-N 0 1 285.322 3.774 20 0 CHADMN CCCCC[C@H](C)CC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000763198470 1128373436 /nfs/dbraw/zinc/37/34/36/1128373436.db2.gz QSSQREYPDSWNTG-QWHCGFSZSA-N 0 1 294.443 3.712 20 0 CHADMN Cc1nc(C2(NC[C@@H](C)C(C)(C)C)CCCCC2)no1 ZINC000670266829 1128378507 /nfs/dbraw/zinc/37/85/07/1128378507.db2.gz CHCQFAFVCSIFAK-GFCCVEGCSA-N 0 1 279.428 3.809 20 0 CHADMN Cc1cc(C)nc(CN[C@@H]2CCc3c2cccc3F)c1 ZINC000931756471 1128379954 /nfs/dbraw/zinc/37/99/54/1128379954.db2.gz RYGGENVEFQCAIK-QGZVFWFLSA-N 0 1 270.351 3.615 20 0 CHADMN Cc1nnc([C@@H](C)N[C@@H]2CCc3cccc4cccc2c43)[nH]1 ZINC000931808682 1128381552 /nfs/dbraw/zinc/38/15/52/1128381552.db2.gz JKEWKBAOYNSQKC-BDJLRTHQSA-N 0 1 292.386 3.604 20 0 CHADMN Cc1nnc([C@H](C)N[C@@H]2CCc3cccc4cccc2c43)[nH]1 ZINC000931808684 1128381817 /nfs/dbraw/zinc/38/18/17/1128381817.db2.gz JKEWKBAOYNSQKC-MEDUHNTESA-N 0 1 292.386 3.604 20 0 CHADMN CC1(C)CCCN1C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000931845672 1128384488 /nfs/dbraw/zinc/38/44/88/1128384488.db2.gz RHUDHRPXSWYQAV-UHFFFAOYSA-N 0 1 293.317 3.515 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2ccc(Cl)cn2)cc1 ZINC000562259049 1128391235 /nfs/dbraw/zinc/39/12/35/1128391235.db2.gz HBGYXLMJJNJZBO-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN Cc1ncc(CN[C@H](C)c2ccc(C(C)C)cc2)o1 ZINC000398059087 1128392942 /nfs/dbraw/zinc/39/29/42/1128392942.db2.gz JQXQUEPUQJMYLL-GFCCVEGCSA-N 0 1 258.365 3.957 20 0 CHADMN CCCCN1CCC[C@@H]1c1cncc(Br)c1 ZINC000932251812 1128402160 /nfs/dbraw/zinc/40/21/60/1128402160.db2.gz UZIWGSLZVODTBE-CYBMUJFWSA-N 0 1 283.213 3.781 20 0 CHADMN COc1ccc(CN2CCC=C(c3ccccn3)C2)cc1F ZINC000562443351 1128403014 /nfs/dbraw/zinc/40/30/14/1128403014.db2.gz GDJMYTLMZWLEEP-UHFFFAOYSA-N 0 1 298.361 3.519 20 0 CHADMN C(=C/c1ccccc1)\CCN[C@@H](c1ncccn1)C1CC1 ZINC000932356952 1128405176 /nfs/dbraw/zinc/40/51/76/1128405176.db2.gz UVHNRPGSMCPRGR-MDGVGCGJSA-N 0 1 279.387 3.621 20 0 CHADMN CC(C)CN(Cc1ccsc1)Cc1ccccn1 ZINC000932447808 1128410009 /nfs/dbraw/zinc/41/00/09/1128410009.db2.gz KYODONHGHGAMMB-UHFFFAOYSA-N 0 1 260.406 3.801 20 0 CHADMN CCCCn1c(C)c(C)nc1SCc1[nH]ncc1C ZINC000916554538 1128424844 /nfs/dbraw/zinc/42/48/44/1128424844.db2.gz PHEBXRHYGKGLKK-UHFFFAOYSA-N 0 1 278.425 3.624 20 0 CHADMN CC[C@H](C)N1Cc2ccc(Br)cc2C[C@@H]1C ZINC001257447442 1128425264 /nfs/dbraw/zinc/42/52/64/1128425264.db2.gz GEARTQYCLDKUKP-QWRGUYRKSA-N 0 1 282.225 3.994 20 0 CHADMN CC(C)c1nnc(CN2C[C@H](C3CC3)C[C@@H]2C2CC2)s1 ZINC000932887980 1128426031 /nfs/dbraw/zinc/42/60/31/1128426031.db2.gz WBIFCBSYFPRTAR-ZIAGYGMSSA-N 0 1 291.464 3.672 20 0 CHADMN CC1(C)C[C@@H](c2ccccc2)CN1Cc1nnc(C2CC2)o1 ZINC000932900525 1128426291 /nfs/dbraw/zinc/42/62/91/1128426291.db2.gz BCHTWRLWTDEFLB-OAHLLOKOSA-N 0 1 297.402 3.715 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)NCc1ccc(F)nc1 ZINC000778158986 1128432616 /nfs/dbraw/zinc/43/26/16/1128432616.db2.gz SQYLUOPAXSFIHQ-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)C[C@H](O)c2ccco2)c(C)s1 ZINC000763413579 1128433608 /nfs/dbraw/zinc/43/36/08/1128433608.db2.gz SEHJXTRPHGVQEC-NRUUGDAUSA-N 0 1 294.420 3.516 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933399867 1128434912 /nfs/dbraw/zinc/43/49/12/1128434912.db2.gz XIXAQAHGLWZWCZ-HNNXBMFYSA-N 0 1 274.339 3.509 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccnn2C(C)C)cc1C ZINC000933483831 1128435469 /nfs/dbraw/zinc/43/54/69/1128435469.db2.gz MQKDJWVYORDYSS-CQSZACIVSA-N 0 1 287.407 3.632 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(C)cn2)cc1C ZINC000933485719 1128435893 /nfs/dbraw/zinc/43/58/93/1128435893.db2.gz KJHJVHFIUBWKBN-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(C)cc(C)n2)cc1C ZINC000933484224 1128436465 /nfs/dbraw/zinc/43/64/65/1128436465.db2.gz FYAFISXRELDDBE-OAHLLOKOSA-N 0 1 284.403 3.866 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(OC)ncc1F ZINC001203525125 1128437797 /nfs/dbraw/zinc/43/77/97/1128437797.db2.gz SFYZNLIYXSMOKP-UHFFFAOYSA-N 0 1 299.305 3.530 20 0 CHADMN COc1ccc(F)cc1CNCc1cncc2ccccc21 ZINC000778181844 1128438781 /nfs/dbraw/zinc/43/87/81/1128438781.db2.gz PLANQUIXJKWEMV-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN Cc1cnc([C@H](C)N(C)Cc2c(C)cccc2C)cn1 ZINC000933763909 1128442718 /nfs/dbraw/zinc/44/27/18/1128442718.db2.gz HJRCGYSFEAJSEU-HNNXBMFYSA-N 0 1 269.392 3.595 20 0 CHADMN C[N@@H+](Cc1cc(Cl)ccc1Cl)CC1(O)CCCC1 ZINC000124321543 1128443017 /nfs/dbraw/zinc/44/30/17/1128443017.db2.gz SIWAPXLWFVHCOE-UHFFFAOYSA-N 0 1 288.218 3.730 20 0 CHADMN CN(Cc1cc(Cl)ccc1Cl)CC1(O)CCCC1 ZINC000124321543 1128443019 /nfs/dbraw/zinc/44/30/19/1128443019.db2.gz SIWAPXLWFVHCOE-UHFFFAOYSA-N 0 1 288.218 3.730 20 0 CHADMN COC(=O)c1oc([C@@H](C)N(C)Cc2ccccc2)cc1C ZINC000124624362 1128445565 /nfs/dbraw/zinc/44/55/65/1128445565.db2.gz DXIRTTCZTCRNEQ-CYBMUJFWSA-N 0 1 287.359 3.568 20 0 CHADMN CC[C@@H]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000125202161 1128448147 /nfs/dbraw/zinc/44/81/47/1128448147.db2.gz BDUQWWRNLYSQMY-LLVKDONJSA-N 0 1 291.782 3.622 20 0 CHADMN c1cn(-c2ccc(CN(Cc3ccoc3)C3CC3)cc2)cn1 ZINC000934003725 1128449322 /nfs/dbraw/zinc/44/93/22/1128449322.db2.gz FMWKKLLTRHITTE-UHFFFAOYSA-N 0 1 293.370 3.630 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2ccc(C)o2)cc1 ZINC000125805473 1128453853 /nfs/dbraw/zinc/45/38/53/1128453853.db2.gz FMOOQRCOGUJBPY-ZDUSSCGKSA-N 0 1 259.349 3.790 20 0 CHADMN COc1cc(CN[C@H](C)c2cncs2)ccc1SC ZINC000934198045 1128454431 /nfs/dbraw/zinc/45/44/31/1128454431.db2.gz IXOYXGKXNOAEPJ-SNVBAGLBSA-N 0 1 294.445 3.724 20 0 CHADMN CC[C@H]1CCN([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000125390646 1128450175 /nfs/dbraw/zinc/45/01/75/1128450175.db2.gz VJDZPIGRNWCDMX-RYUDHWBXSA-N 0 1 250.386 3.765 20 0 CHADMN CC(C)C1(C)CCN(Cc2cccc(Cl)n2)CC1 ZINC000778218961 1128451181 /nfs/dbraw/zinc/45/11/81/1128451181.db2.gz PQLKFEHYMNJWBL-UHFFFAOYSA-N 0 1 266.816 3.993 20 0 CHADMN Cc1ccc(CN[C@@H](c2ncccc2C)C(C)(C)C)nc1 ZINC000934290905 1128456792 /nfs/dbraw/zinc/45/67/92/1128456792.db2.gz JCSIXDFHJORPPX-KRWDZBQOSA-N 0 1 283.419 3.970 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Oc3ccc(C)cc3)[nH]n2)o1 ZINC000916851249 1128457425 /nfs/dbraw/zinc/45/74/25/1128457425.db2.gz DTJCXFORTFFOQM-UHFFFAOYSA-N 0 1 282.299 3.506 20 0 CHADMN C[C@@H]1CSCCCN1Cc1cc(-c2ccccc2)on1 ZINC000934301346 1128457740 /nfs/dbraw/zinc/45/77/40/1128457740.db2.gz DKBSFKFKNDTRMP-CYBMUJFWSA-N 0 1 288.416 3.669 20 0 CHADMN CC(C)(C)c1csc(CN[C@@H]2CCOC23CCCC3)n1 ZINC000934397358 1128459850 /nfs/dbraw/zinc/45/98/50/1128459850.db2.gz XGLMLYVNILWDGR-GFCCVEGCSA-N 0 1 294.464 3.632 20 0 CHADMN CCCCN(CC)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000065281179 1128461752 /nfs/dbraw/zinc/46/17/52/1128461752.db2.gz OHMGDUHRGJJJRQ-UHFFFAOYSA-N 0 1 288.391 3.972 20 0 CHADMN C[C@@H](NCc1ccc(F)cc1)c1cnn(CC2CCC2)c1 ZINC000934555031 1128463398 /nfs/dbraw/zinc/46/33/98/1128463398.db2.gz XBUIWVHFKLQOKZ-CYBMUJFWSA-N 0 1 287.382 3.673 20 0 CHADMN CSCC(C)(C)NCc1ncc(-c2ccc(F)cc2)o1 ZINC000934674853 1128465969 /nfs/dbraw/zinc/46/59/69/1128465969.db2.gz CYLBIXSXLWXLHZ-UHFFFAOYSA-N 0 1 294.395 3.712 20 0 CHADMN Fc1ccc(Br)c(CN[C@@H]2C=CCCC2)c1 ZINC000126934136 1128470614 /nfs/dbraw/zinc/47/06/14/1128470614.db2.gz FCVSSEFTSVLCRP-GFCCVEGCSA-N 0 1 284.172 3.787 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccc[nH]2)ccc1F ZINC000127384587 1128477292 /nfs/dbraw/zinc/47/72/92/1128477292.db2.gz AISSFHXTQGICSI-MRXNPFEDSA-N 0 1 258.340 3.799 20 0 CHADMN C[C@H](c1ccncc1)N(C)Cc1cc(F)cc2cccnc21 ZINC000127476863 1128478664 /nfs/dbraw/zinc/47/86/64/1128478664.db2.gz DZQHABGGFVHLQO-CYBMUJFWSA-N 0 1 295.361 3.962 20 0 CHADMN CCCc1ccc([C@@H](C)NCc2ncccc2N(C)C)cc1 ZINC000563787090 1128478683 /nfs/dbraw/zinc/47/86/83/1128478683.db2.gz SBWMPXBHKXRIFS-OAHLLOKOSA-N 0 1 297.446 3.951 20 0 CHADMN COc1ccccc1[C@H](C)SCc1[nH]ncc1C ZINC000917110042 1128483427 /nfs/dbraw/zinc/48/34/27/1128483427.db2.gz OLLROZBBPLBRKB-NSHDSACASA-N 0 1 262.378 3.721 20 0 CHADMN CC(=O)c1cc(CN(C)[C@H]2CCC[C@@H]2c2ccccc2)on1 ZINC000563969999 1128487765 /nfs/dbraw/zinc/48/77/65/1128487765.db2.gz GSUIUQVZQDWSDW-AEFFLSMTSA-N 0 1 298.386 3.645 20 0 CHADMN Cc1oc([C@@H](C)[N@@H+](C)Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC000563966026 1128487933 /nfs/dbraw/zinc/48/79/33/1128487933.db2.gz GETPLBQDDJXROK-SNVBAGLBSA-N 0 1 291.322 3.618 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3nc(C)sc32)c(C)o1 ZINC000089725580 1128493071 /nfs/dbraw/zinc/49/30/71/1128493071.db2.gz ZZQWNQLXHZIHEW-CYBMUJFWSA-N 0 1 276.405 3.829 20 0 CHADMN CC(C)N1CCC[C@H]1C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000935537609 1128493792 /nfs/dbraw/zinc/49/37/92/1128493792.db2.gz TUFHGOLEAQNZSX-AWEZNQCLSA-N 0 1 296.361 3.610 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@@H](F)Cc1ccccc1 ZINC000778396777 1128505443 /nfs/dbraw/zinc/50/54/43/1128505443.db2.gz CCCNAGWRUFNFBM-LBPRGKRZSA-N 0 1 293.725 3.565 20 0 CHADMN CC[C@@](C)(NC[C@H]1CCCC2(CCC2)O1)c1nccs1 ZINC000929991128 1128511877 /nfs/dbraw/zinc/51/18/77/1128511877.db2.gz IHICVZQFPZSATJ-UKRRQHHQSA-N 0 1 294.464 3.850 20 0 CHADMN CC[C@H](C)[C@H](C)[N@@H+](CCc1ccccc1C(=O)[O-])C1CC1 ZINC000565101199 1128519772 /nfs/dbraw/zinc/51/97/72/1128519772.db2.gz AWXDOAKRYWOQIX-KBPBESRZSA-N 0 1 289.419 3.826 20 0 CHADMN Cc1nc(CN[C@@H]2CCCc3ccc(C)cc32)[nH]c1C ZINC000565241325 1128522534 /nfs/dbraw/zinc/52/25/34/1128522534.db2.gz CKZMWHGXWHTMBB-MRXNPFEDSA-N 0 1 269.392 3.502 20 0 CHADMN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1csc(-c2ccccc2)n1 ZINC000565303416 1128524156 /nfs/dbraw/zinc/52/41/56/1128524156.db2.gz OAGSYVUVQQEFBR-BZPMIXESSA-N 0 1 288.416 3.638 20 0 CHADMN CN(Cc1nnc(-c2ccccc2Cl)o1)C(C)(C)C ZINC000565479122 1128527873 /nfs/dbraw/zinc/52/78/73/1128527873.db2.gz LBWQMTDIJOXHIN-UHFFFAOYSA-N 0 1 279.771 3.620 20 0 CHADMN FC(F)(F)C1CN(CCCSCc2ccccc2)C1 ZINC000565566269 1128528599 /nfs/dbraw/zinc/52/85/99/1128528599.db2.gz JOIVXOCYDWZWKK-UHFFFAOYSA-N 0 1 289.366 3.804 20 0 CHADMN CN(Cc1nnc(C2CC2)o1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000565642525 1128529987 /nfs/dbraw/zinc/52/99/87/1128529987.db2.gz GQPCWNVUHDGJBZ-HOTGVXAUSA-N 0 1 297.402 3.715 20 0 CHADMN CCN(Cc1noc(-c2ccccc2C)n1)[C@H](C)C(C)C ZINC000129065473 1128529996 /nfs/dbraw/zinc/52/99/96/1128529996.db2.gz XGXRUHJSBNGPAY-CQSZACIVSA-N 0 1 287.407 3.911 20 0 CHADMN C[N@@H+](CCC1CCCCC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000565721681 1128531485 /nfs/dbraw/zinc/53/14/85/1128531485.db2.gz RYRJTSJBTCOWNY-MRXNPFEDSA-N 0 1 275.392 3.715 20 0 CHADMN C[C@@H](NCc1ccccc1N(C)C)c1ccnn1C1CCC1 ZINC000925446546 1128531629 /nfs/dbraw/zinc/53/16/29/1128531629.db2.gz WNZCOEFDSVMMMH-CQSZACIVSA-N 0 1 298.434 3.525 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000565838645 1128533743 /nfs/dbraw/zinc/53/37/43/1128533743.db2.gz PVHDLSLXXCLBDT-MRXNPFEDSA-N 0 1 289.419 3.828 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNCCOC2CCCCC2)o1 ZINC000070168078 1128559844 /nfs/dbraw/zinc/55/98/44/1128559844.db2.gz HKZLONFEZUBIEB-CZUORRHYSA-N 0 1 277.408 3.842 20 0 CHADMN CCCN(C)[C@H](C)c1nc2ccccc2n1C(F)F ZINC000069090962 1128534059 /nfs/dbraw/zinc/53/40/59/1128534059.db2.gz XSELUQUTUSWNON-SNVBAGLBSA-N 0 1 267.323 3.834 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCCCCC(=O)[O-] ZINC000565898412 1128534469 /nfs/dbraw/zinc/53/44/69/1128534469.db2.gz JIPLXLBWTZRFSF-KGLIPLIRSA-N 0 1 255.402 3.532 20 0 CHADMN Cn1cccc1[C@H]1CCCCN1Cc1ccc2c(n1)CCC2 ZINC000566054620 1128537419 /nfs/dbraw/zinc/53/74/19/1128537419.db2.gz UCNDTGQDOSJRCK-LJQANCHMSA-N 0 1 295.430 3.636 20 0 CHADMN CCC(CC)N(Cn1c2cc(C)ccc2oc1=O)C1CC1 ZINC000918178978 1128538984 /nfs/dbraw/zinc/53/89/84/1128538984.db2.gz MLNYHJHJWLVLIG-UHFFFAOYSA-N 0 1 288.391 3.513 20 0 CHADMN Cc1cc(C)c([C@H](C)N[C@H](C)c2ccn(C)n2)c(C)c1 ZINC000567219072 1128560404 /nfs/dbraw/zinc/56/04/04/1128560404.db2.gz ZIZYOIDZOIAHOB-CABCVRRESA-N 0 1 271.408 3.757 20 0 CHADMN CCCC[N@@H+](C)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000566360203 1128542456 /nfs/dbraw/zinc/54/24/56/1128542456.db2.gz SGCUOKRYRRTKBS-GFCCVEGCSA-N 0 1 290.190 3.851 20 0 CHADMN C[C@@H](c1ccccc1F)[N@H+](C)Cc1csc(C(=O)[O-])c1 ZINC000566358193 1128542647 /nfs/dbraw/zinc/54/26/47/1128542647.db2.gz FNRFQMKSWKXIGD-JTQLQIEISA-N 0 1 293.363 3.778 20 0 CHADMN C[C@@H](c1ccccc1F)[N@@H+](C)Cc1csc(C(=O)[O-])c1 ZINC000566358193 1128542650 /nfs/dbraw/zinc/54/26/50/1128542650.db2.gz FNRFQMKSWKXIGD-JTQLQIEISA-N 0 1 293.363 3.778 20 0 CHADMN CCC[C@H]1[C@H](C)CCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000566363646 1128542883 /nfs/dbraw/zinc/54/28/83/1128542883.db2.gz QSPZSUHHDGQNOD-PBHICJAKSA-N 0 1 289.419 3.828 20 0 CHADMN Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cc1ncccc1O ZINC000556176966 1128560549 /nfs/dbraw/zinc/56/05/49/1128560549.db2.gz CNWVTZZXVVDORJ-INIZCTEOSA-N 0 1 286.350 3.572 20 0 CHADMN C[C@H]1C[C@@H](CCNc2noc3ccc(Cl)cc32)CCO1 ZINC000566396629 1128543619 /nfs/dbraw/zinc/54/36/19/1128543619.db2.gz MGUOTXHVLYBMLQ-QWRGUYRKSA-N 0 1 294.782 3.520 20 0 CHADMN CC[C@@]1(C)CC[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000566567494 1128546422 /nfs/dbraw/zinc/54/64/22/1128546422.db2.gz QZISKGQCKQTDGU-HNNXBMFYSA-N 0 1 281.783 3.660 20 0 CHADMN Cc1nc2cc(N[C@@H]3CS[C@H](C(C)C)C3)ccc2n1C ZINC000566538201 1128546580 /nfs/dbraw/zinc/54/65/80/1128546580.db2.gz ZIUPFAFPUYMIPC-BBRMVZONSA-N 0 1 289.448 3.824 20 0 CHADMN C[C@@H](N[C@H]1CCCCc2ccccc21)c1ccncn1 ZINC000566660897 1128549088 /nfs/dbraw/zinc/54/90/88/1128549088.db2.gz XXTQSIDHSFBMTA-DYVFJYSZSA-N 0 1 267.376 3.595 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1ccc(OCc2ccccc2)nc1 ZINC000567286779 1128561740 /nfs/dbraw/zinc/56/17/40/1128561740.db2.gz WONSSVJJAIORKJ-LSDHHAIUSA-N 0 1 282.387 3.501 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)Cc1ccc2c[nH]nc2c1 ZINC000129713713 1128554129 /nfs/dbraw/zinc/55/41/29/1128554129.db2.gz RRRQKJIBKVVXCH-LBPRGKRZSA-N 0 1 283.350 3.895 20 0 CHADMN CC[C@@H]1CC[C@@H]1N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000566941696 1128555195 /nfs/dbraw/zinc/55/51/95/1128555195.db2.gz QOKWYWODBAFAKX-BZPMIXESSA-N 0 1 277.412 3.957 20 0 CHADMN Cc1oncc1CN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000129740264 1128555530 /nfs/dbraw/zinc/55/55/30/1128555530.db2.gz GADCSTSTAZVEAK-GFCCVEGCSA-N 0 1 274.364 3.621 20 0 CHADMN CCc1ccc(CN2C[C@H](C)[C@H]2c2ccccc2)nc1 ZINC000567490762 1128565634 /nfs/dbraw/zinc/56/56/34/1128565634.db2.gz ZIUAXIZBNBMURI-KSSFIOAISA-N 0 1 266.388 3.837 20 0 CHADMN Cc1ccc2nc(NC(=O)C(C)(C)c3cccs3)[nH]c2c1 ZINC000567636618 1128569008 /nfs/dbraw/zinc/56/90/08/1128569008.db2.gz PREKOHIVYBHAJT-UHFFFAOYSA-N 0 1 299.399 3.849 20 0 CHADMN C[C@@H](N[C@H]1CCC[C@H]1F)c1ccc(F)cc1OC(F)F ZINC000556259202 1128569431 /nfs/dbraw/zinc/56/94/31/1128569431.db2.gz GUIKXPJQXLCDBI-FXAINCCUSA-N 0 1 291.288 3.968 20 0 CHADMN CSc1ccccc1CN1C[C@@H](C)OC2(CCC2)C1 ZINC000567810811 1128571700 /nfs/dbraw/zinc/57/17/00/1128571700.db2.gz IKAZAPXQCGMDDF-CYBMUJFWSA-N 0 1 277.433 3.552 20 0 CHADMN C[C@H]1CN(C[C@H]2CCC3(CCCCC3)O2)CC2(CCC2)O1 ZINC000567811189 1128572334 /nfs/dbraw/zinc/57/23/34/1128572334.db2.gz WLEMEVRCAQOBPF-JKSUJKDBSA-N 0 1 293.451 3.512 20 0 CHADMN Cc1cccc2nc(CNC(=O)C[C@H]3CCC[C@@H](C)C3)[nH]c21 ZINC000498418103 1128573325 /nfs/dbraw/zinc/57/33/25/1128573325.db2.gz BPRXCTXIINEBOI-OCCSQVGLSA-N 0 1 299.418 3.704 20 0 CHADMN CC[C@H](C(=O)O[C@H](C)c1ccc(F)cc1)N(CC)CC ZINC000778618405 1128574690 /nfs/dbraw/zinc/57/46/90/1128574690.db2.gz SHWGVKRCNNJCNH-IUODEOHRSA-N 0 1 281.371 3.550 20 0 CHADMN CCO[C@@H]1C[C@@H]1NC1c2ccccc2-c2ccccc21 ZINC000568021032 1128576326 /nfs/dbraw/zinc/57/63/26/1128576326.db2.gz TZVHOMRZOFYQDE-DLBZAZTESA-N 0 1 265.356 3.523 20 0 CHADMN CCCCC[N@@H+](CCc1ccccc1C(=O)[O-])C(C)C ZINC000568060557 1128576918 /nfs/dbraw/zinc/57/69/18/1128576918.db2.gz GRLWFRZTUFELFN-UHFFFAOYSA-N 0 1 277.408 3.828 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000568107777 1128577741 /nfs/dbraw/zinc/57/77/41/1128577741.db2.gz YHERSLCVSQVBOZ-ZFWWWQNUSA-N 0 1 299.418 3.984 20 0 CHADMN CC(C)(C)CC(C)(C)NC(=O)c1cc2[nH]cnc2cc1F ZINC000568146146 1128578974 /nfs/dbraw/zinc/57/89/74/1128578974.db2.gz DRLHYNSJYHQWOG-UHFFFAOYSA-N 0 1 291.370 3.647 20 0 CHADMN CC1=C(C)C[C@@H](C(=O)Nc2cccc(-c3nnc[nH]3)c2)CC1 ZINC000568394170 1128584695 /nfs/dbraw/zinc/58/46/95/1128584695.db2.gz GDIXIMDILZPHQN-AWEZNQCLSA-N 0 1 296.374 3.547 20 0 CHADMN CSCCCCCNc1noc2ccc(Cl)cc21 ZINC000568457614 1128584855 /nfs/dbraw/zinc/58/48/55/1128584855.db2.gz HOKKYPCJPIZQMO-UHFFFAOYSA-N 0 1 284.812 3.848 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1ccc2c(n1)CCC2 ZINC000568482311 1128586116 /nfs/dbraw/zinc/58/61/16/1128586116.db2.gz JJDVPWKYUBBKBS-LJQANCHMSA-N 0 1 278.399 3.656 20 0 CHADMN CC[C@H](NC(=O)c1cccc(F)c1O)c1ccc(F)cc1 ZINC001127463406 1128588129 /nfs/dbraw/zinc/58/81/29/1128588129.db2.gz UFHLQURPFPYYAY-AWEZNQCLSA-N 0 1 291.297 3.552 20 0 CHADMN Cc1[nH]ncc1CN1CCC[C@@H](C)c2ccccc21 ZINC000568736489 1128590996 /nfs/dbraw/zinc/59/09/96/1128590996.db2.gz PXLHONIOYITQGU-GFCCVEGCSA-N 0 1 255.365 3.622 20 0 CHADMN CC(C)[C@H]1CCc2ccccc2[C@@H]1NCc1cnccn1 ZINC000568841108 1128593074 /nfs/dbraw/zinc/59/30/74/1128593074.db2.gz IEJPZWHTXMAQCD-SJLPKXTDSA-N 0 1 281.403 3.526 20 0 CHADMN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NCc1cnccn1 ZINC000568841107 1128593362 /nfs/dbraw/zinc/59/33/62/1128593362.db2.gz IEJPZWHTXMAQCD-FUHWJXTLSA-N 0 1 281.403 3.526 20 0 CHADMN CCCn1cc(CN(C)[C@H](C)c2ccc(C)cc2)cn1 ZINC000130805434 1128596457 /nfs/dbraw/zinc/59/64/57/1128596457.db2.gz XBTGHPOBLVYOQL-OAHLLOKOSA-N 0 1 271.408 3.795 20 0 CHADMN CC1(C)CCC[C@@H](CN[C@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000569071944 1128597653 /nfs/dbraw/zinc/59/76/53/1128597653.db2.gz AXMICABZXSLSGJ-ZBFHGGJFSA-N 0 1 298.434 3.700 20 0 CHADMN O=C(c1cc(C2CCCCC2)[nH]n1)N1Cc2ccccc2C1 ZINC000130860060 1128599811 /nfs/dbraw/zinc/59/98/11/1128599811.db2.gz OOWFYUIBXDGQNK-UHFFFAOYSA-N 0 1 295.386 3.613 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)[N@H+](C)Cc1ncccc1[O-] ZINC000569171653 1128600740 /nfs/dbraw/zinc/60/07/40/1128600740.db2.gz ILUAZFCSNGLUJJ-MRXNPFEDSA-N 0 1 284.403 3.549 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1ncccc1[O-] ZINC000569171653 1128600741 /nfs/dbraw/zinc/60/07/41/1128600741.db2.gz ILUAZFCSNGLUJJ-MRXNPFEDSA-N 0 1 284.403 3.549 20 0 CHADMN Fc1ccc(CN2CC[C@@H](c3ccncc3)C2)c(Cl)c1 ZINC000569788542 1128609246 /nfs/dbraw/zinc/60/92/46/1128609246.db2.gz BMGSGCWATMWRCM-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN O=C([O-])CCCC[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000569793906 1128609785 /nfs/dbraw/zinc/60/97/85/1128609785.db2.gz ILJHXCJEZKTVPP-QGZVFWFLSA-N 0 1 287.403 3.783 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1C[C@H]1Cc1ccccc1 ZINC000925465842 1128610189 /nfs/dbraw/zinc/61/01/89/1128610189.db2.gz JBVSMCBKWUPOOU-PMPSAXMXSA-N 0 1 282.387 3.581 20 0 CHADMN CC[C@@H](NCc1ccc(C)cc1)c1ccc(F)cn1 ZINC000131227926 1128610652 /nfs/dbraw/zinc/61/06/52/1128610652.db2.gz MZBJBUOGBJFFSD-OAHLLOKOSA-N 0 1 258.340 3.770 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000570256816 1128619881 /nfs/dbraw/zinc/61/98/81/1128619881.db2.gz WYRCHSJPQHSJKU-QWRGUYRKSA-N 0 1 281.783 3.689 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000570256814 1128620108 /nfs/dbraw/zinc/62/01/08/1128620108.db2.gz WYRCHSJPQHSJKU-GHMZBOCLSA-N 0 1 281.783 3.689 20 0 CHADMN Nc1c(F)cccc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000637866335 1129231841 /nfs/dbraw/zinc/23/18/41/1129231841.db2.gz KQWJAQNBCSUYFV-CYBMUJFWSA-N 0 1 276.380 3.807 20 0 CHADMN O=C([O-])[C@H]1CC[C@@H](c2ccccc2)[N@H+]1CC1CCCCC1 ZINC000570345611 1128621871 /nfs/dbraw/zinc/62/18/71/1128621871.db2.gz QTKMIJPYKDTSDC-DLBZAZTESA-N 0 1 287.403 3.857 20 0 CHADMN Cc1nc(CNCCC2CCCCC2)nc2ccccc12 ZINC000570619059 1128627983 /nfs/dbraw/zinc/62/79/83/1128627983.db2.gz KZOPPIXJIFZVSS-UHFFFAOYSA-N 0 1 283.419 3.998 20 0 CHADMN Cc1nc2cc(N[C@H](C)c3cc(C)ccn3)ccc2n1C ZINC000556889753 1128635943 /nfs/dbraw/zinc/63/59/43/1128635943.db2.gz FMMGMOOTGWYVNF-GFCCVEGCSA-N 0 1 280.375 3.758 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000570855693 1128633316 /nfs/dbraw/zinc/63/33/16/1128633316.db2.gz YHKKKQMJTAFREB-BBRMVZONSA-N 0 1 275.392 3.785 20 0 CHADMN C[C@H](CCc1ccc(F)cc1F)N[C@@H](C)c1ccon1 ZINC000556891915 1128637037 /nfs/dbraw/zinc/63/70/37/1128637037.db2.gz HJMXLSMDBQGALU-MNOVXSKESA-N 0 1 280.318 3.625 20 0 CHADMN COCCCOc1ccc(CN[C@H](C)c2ccoc2)cc1 ZINC000571588227 1128637560 /nfs/dbraw/zinc/63/75/60/1128637560.db2.gz CKIGITNMIWHNPI-CQSZACIVSA-N 0 1 289.375 3.546 20 0 CHADMN C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000572250537 1128643804 /nfs/dbraw/zinc/64/38/04/1128643804.db2.gz YWRRZGOWEOCKOC-NSHDSACASA-N 0 1 293.794 3.803 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC000572844471 1128648660 /nfs/dbraw/zinc/64/86/60/1128648660.db2.gz JEEHTAOXMRKPQS-CYBMUJFWSA-N 0 1 283.375 3.946 20 0 CHADMN C[C@H](CCc1ccccc1)CN1CCOC[C@@H]1CC(F)F ZINC000573045359 1128650775 /nfs/dbraw/zinc/65/07/75/1128650775.db2.gz LJESUUNORLIADF-ZBFHGGJFSA-N 0 1 297.389 3.611 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1Cc1cc(C(C)(C)C)on1 ZINC000572625536 1128646046 /nfs/dbraw/zinc/64/60/46/1128646046.db2.gz KJTIBBBBLRUYOL-YPMHNXCESA-N 0 1 250.386 3.593 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1NCc1cnccn1 ZINC000572580059 1128646394 /nfs/dbraw/zinc/64/63/94/1128646394.db2.gz LLUDIGFOSZDETC-UHFFFAOYSA-N 0 1 296.418 3.778 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](CCCc1ccc(Cl)cc1)C1CCC1 ZINC000572618993 1128646496 /nfs/dbraw/zinc/64/64/96/1128646496.db2.gz UCKOASTZMXHLJI-GFCCVEGCSA-N 0 1 295.810 3.600 20 0 CHADMN C[C@@H](Cc1ccsc1)Nc1cc2c(cn1)CCC2 ZINC000556958008 1128651972 /nfs/dbraw/zinc/65/19/72/1128651972.db2.gz BGNZVZRLLRHKNJ-NSHDSACASA-N 0 1 258.390 3.675 20 0 CHADMN C[C@@H](CC(=O)[O-])[N@@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC000573459528 1128654444 /nfs/dbraw/zinc/65/44/44/1128654444.db2.gz ILXFWXZPLZQVSU-HSBZDZAISA-N 0 1 269.429 3.634 20 0 CHADMN CC1(C)CN(Cc2c[nH]c(-c3ccccc3)n2)[C@H]1C1CC1 ZINC000573616440 1128655975 /nfs/dbraw/zinc/65/59/75/1128655975.db2.gz ORPCKNQMJHQOTG-INIZCTEOSA-N 0 1 281.403 3.697 20 0 CHADMN CC[C@@H](c1ccccc1OC)N(C)Cc1ccc(C)nc1 ZINC000573844655 1128659079 /nfs/dbraw/zinc/65/90/79/1128659079.db2.gz BGVXCSDHIIVVJE-KRWDZBQOSA-N 0 1 284.403 3.982 20 0 CHADMN CC1(C)CC[C@H](CN2CC[C@](F)(c3ccccc3)C2)O1 ZINC000574057299 1128661229 /nfs/dbraw/zinc/66/12/29/1128661229.db2.gz JYJIDGGFLHXSKM-NVXWUHKLSA-N 0 1 277.383 3.515 20 0 CHADMN COc1cccc(F)c1CN(C)CC1CCCCC1 ZINC001138385679 1128663978 /nfs/dbraw/zinc/66/39/78/1128663978.db2.gz YGGYIHJMHTYVEW-UHFFFAOYSA-N 0 1 265.372 3.846 20 0 CHADMN CCC[C@H](N[C@H]1CCSC1)c1ncccc1Cl ZINC000925477684 1128664360 /nfs/dbraw/zinc/66/43/60/1128664360.db2.gz GDILMHPQAPRWJN-JQWIXIFHSA-N 0 1 270.829 3.671 20 0 CHADMN C[C@H](OC(=O)c1cccc2[nH]ncc21)c1ccc(F)cc1 ZINC000920154867 1128668261 /nfs/dbraw/zinc/66/82/61/1128668261.db2.gz SPXIPCLPIVPATN-JTQLQIEISA-N 0 1 284.290 3.620 20 0 CHADMN CC[C@@H]1CN(CCCOc2ccc(C)c(C)c2)C[C@@H](C)O1 ZINC000600700825 1128678946 /nfs/dbraw/zinc/67/89/46/1128678946.db2.gz IMOJIFQRFCINTD-IAGOWNOFSA-N 0 1 291.435 3.572 20 0 CHADMN CC[C@H]1CN(CCOc2cccc3ccccc32)C[C@@H](C)O1 ZINC000600701906 1128679035 /nfs/dbraw/zinc/67/90/35/1128679035.db2.gz GLTKYEXAHMJTKE-WBVHZDCISA-N 0 1 299.414 3.718 20 0 CHADMN CCN(CC)CC(=O)Nc1ccc(-c2ccccc2)cc1C ZINC000920445329 1128681978 /nfs/dbraw/zinc/68/19/78/1128681978.db2.gz WTMNPEDUBZMUBG-UHFFFAOYSA-N 0 1 296.414 3.942 20 0 CHADMN C[C@H]1Cc2ccccc2[C@@H]1NCc1nn(C)c2ccccc12 ZINC000600815639 1128683269 /nfs/dbraw/zinc/68/32/69/1128683269.db2.gz IJTSQNOCTSSUQS-ORAYPTAESA-N 0 1 291.398 3.596 20 0 CHADMN COc1c(C)cc(C[N@H+]2CCCC[C@@H](F)C2)cc1C ZINC001138425929 1128701731 /nfs/dbraw/zinc/70/17/31/1128701731.db2.gz QPGMSWTUZRPMEM-OAHLLOKOSA-N 0 1 265.372 3.636 20 0 CHADMN COc1c(C)cc(CN2CCCC[C@@H](F)C2)cc1C ZINC001138425929 1128701733 /nfs/dbraw/zinc/70/17/33/1128701733.db2.gz QPGMSWTUZRPMEM-OAHLLOKOSA-N 0 1 265.372 3.636 20 0 CHADMN C[C@@H](Nc1ccc(CN(C)C)c(F)c1)C1CCSCC1 ZINC000779048327 1128706431 /nfs/dbraw/zinc/70/64/31/1128706431.db2.gz JNKSRBVXSVTNTO-GFCCVEGCSA-N 0 1 296.455 3.831 20 0 CHADMN CC[C@H](C)N(Cc1ccccc1)Cn1cc(Cl)cn1 ZINC000921186805 1128702902 /nfs/dbraw/zinc/70/29/02/1128702902.db2.gz YMFQCSRZWRFJIA-ZDUSSCGKSA-N 0 1 277.799 3.795 20 0 CHADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1cccc(C2CC2)c1 ZINC000578025702 1128703198 /nfs/dbraw/zinc/70/31/98/1128703198.db2.gz AURXAVWYBIJHMT-UHFFFAOYSA-N 0 1 295.264 3.558 20 0 CHADMN Cc1cc(-c2noc(C3(CC(C)C)CC3)n2)cc2nc[nH]c21 ZINC000578048269 1128705031 /nfs/dbraw/zinc/70/50/31/1128705031.db2.gz HFHHGOHQACBKFG-UHFFFAOYSA-N 0 1 296.374 3.999 20 0 CHADMN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000578143906 1128709652 /nfs/dbraw/zinc/70/96/52/1128709652.db2.gz BKKDFCVMKJQMOY-DLBZAZTESA-N 0 1 287.403 3.542 20 0 CHADMN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000578143908 1128709773 /nfs/dbraw/zinc/70/97/73/1128709773.db2.gz BKKDFCVMKJQMOY-IRXDYDNUSA-N 0 1 287.403 3.542 20 0 CHADMN CC(C)[C@@H](N)c1cc(-c2nc3cc(Cl)ccc3o2)no1 ZINC000901398719 1128713017 /nfs/dbraw/zinc/71/30/17/1128713017.db2.gz HGNZFDSAXMFLOU-CYBMUJFWSA-N 0 1 291.738 3.792 20 0 CHADMN C=C/C=C/CCSc1nc(Cc2ccccc2)n[nH]1 ZINC001459042849 1128713863 /nfs/dbraw/zinc/71/38/63/1128713863.db2.gz UYHIMCVHARORNM-ONEGZZNKSA-N 0 1 271.389 3.620 20 0 CHADMN C=C/C=C/CCSc1n[nH]c(Cc2ccccc2)n1 ZINC001459042849 1128713865 /nfs/dbraw/zinc/71/38/65/1128713865.db2.gz UYHIMCVHARORNM-ONEGZZNKSA-N 0 1 271.389 3.620 20 0 CHADMN CC(C)C[C@@H](C)C[C@H](C)NCc1nccc(Cl)n1 ZINC001258061551 1128723652 /nfs/dbraw/zinc/72/36/52/1128723652.db2.gz KXGNHSPJMAGCHM-NEPJUHHUSA-N 0 1 269.820 3.680 20 0 CHADMN Cc1ccc(C)c([C@H]2CCC[N@H+]2CC2(CC(=O)[O-])CC2)c1 ZINC000578515049 1128720043 /nfs/dbraw/zinc/72/00/43/1128720043.db2.gz IFRQIFHHMSEBEL-MRXNPFEDSA-N 0 1 287.403 3.695 20 0 CHADMN CCN(Cc1cscn1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000171837697 1128726422 /nfs/dbraw/zinc/72/64/22/1128726422.db2.gz RVTAUYZZLZKKJR-ZDUSSCGKSA-N 0 1 290.432 3.605 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H]2CCCc3cn[nH]c32)cs1 ZINC000274492993 1117745101 /nfs/dbraw/zinc/74/51/01/1117745101.db2.gz SXUYVYCJNSUIEO-CMPLNLGQSA-N 0 1 290.436 3.718 20 0 CHADMN Cn1cc(CNC2(c3ccccc3)CCC2)c(C(F)F)n1 ZINC000274504989 1117746235 /nfs/dbraw/zinc/74/62/35/1117746235.db2.gz SUTVQKXWSCBJMJ-UHFFFAOYSA-N 0 1 291.345 3.527 20 0 CHADMN CCc1cc(C(=O)N2CC[C@@H](CC(C)(C)C)C2(C)C)n[nH]1 ZINC000622710224 1117758269 /nfs/dbraw/zinc/75/82/69/1117758269.db2.gz ZAHDZWSEFYYEHO-LBPRGKRZSA-N 0 1 291.439 3.649 20 0 CHADMN Cc1noc(C)c1CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000035016647 1117760844 /nfs/dbraw/zinc/76/08/44/1117760844.db2.gz QLGFZCIPQIVUTL-MRXNPFEDSA-N 0 1 276.355 3.917 20 0 CHADMN Cc1c2ccccc2sc1CN1CCc2c(cnn2C)C1 ZINC001138463389 1128734226 /nfs/dbraw/zinc/73/42/26/1128734226.db2.gz HTMJREYMNSCNFY-UHFFFAOYSA-N 0 1 297.427 3.502 20 0 CHADMN CCc1cccc2c1OCC[C@H]2N[C@@H](C)c1cncnc1C ZINC000579731982 1117767189 /nfs/dbraw/zinc/76/71/89/1117767189.db2.gz QNOIWJZROZFOFG-SUMWQHHRSA-N 0 1 297.402 3.522 20 0 CHADMN CC(C)c1cc(CN[C@H]2CS[C@@H](C(C)(C)C)C2)on1 ZINC000683108294 1117769139 /nfs/dbraw/zinc/76/91/39/1117769139.db2.gz BKFUFJPMAJEURE-BXUZGUMPSA-N 0 1 282.453 3.808 20 0 CHADMN CC(C)[C@@H]1C[C@H](N[C@H]2COc3cc(F)cc(F)c32)CS1 ZINC000683109888 1117770560 /nfs/dbraw/zinc/77/05/60/1117770560.db2.gz HGEXEHQYPWSTFY-JKOKRWQUSA-N 0 1 299.386 3.518 20 0 CHADMN Oc1cc(F)cc(CNCc2coc3ccccc23)c1 ZINC000339415314 1117776214 /nfs/dbraw/zinc/77/62/14/1117776214.db2.gz QCPKAOJPZOXBIR-UHFFFAOYSA-N 0 1 271.291 3.567 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H](C)c1cncc(C)c1 ZINC000274629605 1117777063 /nfs/dbraw/zinc/77/70/63/1117777063.db2.gz RCUZQCZICOOKDA-KBPBESRZSA-N 0 1 270.376 3.810 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@H](C)c1cncc(C)c1 ZINC000274629611 1117777114 /nfs/dbraw/zinc/77/71/14/1117777114.db2.gz RCUZQCZICOOKDA-ZIAGYGMSSA-N 0 1 270.376 3.810 20 0 CHADMN C[C@H]1CN(Cc2ccc(F)c3ccccc23)C[C@H](C)O1 ZINC001139886653 1117777313 /nfs/dbraw/zinc/77/73/13/1117777313.db2.gz BNZDWPKDUWFLJV-STQMWFEESA-N 0 1 273.351 3.588 20 0 CHADMN Cc1ccoc1CN(C)Cc1c[nH]nc1-c1ccccc1F ZINC000430146774 1117780367 /nfs/dbraw/zinc/78/03/67/1117780367.db2.gz MDFDONJJTWXTJG-UHFFFAOYSA-N 0 1 299.349 3.749 20 0 CHADMN CCC[C@@H]1CCC[N@@H+](CC[C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000579132361 1128739401 /nfs/dbraw/zinc/73/94/01/1128739401.db2.gz AQWITFSRFARYGG-NVXWUHKLSA-N 0 1 289.419 3.757 20 0 CHADMN CCc1noc(C)c1CNCc1cc(C)cc(Cl)c1 ZINC000339436547 1117785396 /nfs/dbraw/zinc/78/53/96/1117785396.db2.gz IYFKBRPJVWPHPK-UHFFFAOYSA-N 0 1 278.783 3.797 20 0 CHADMN CN(Cc1nc2ccccc2n1C)C(C)(C)c1ccccc1 ZINC000671245348 1117785561 /nfs/dbraw/zinc/78/55/61/1117785561.db2.gz BBMVBMPOOLCBLW-UHFFFAOYSA-N 0 1 293.414 3.940 20 0 CHADMN CCc1noc(C)c1CNCc1cc(C)c2ncccc2c1 ZINC000339438519 1117788518 /nfs/dbraw/zinc/78/85/18/1117788518.db2.gz OVCBVFJWMMPTNL-UHFFFAOYSA-N 0 1 295.386 3.692 20 0 CHADMN CCCN(C)Cn1c(=S)oc2cc(Cl)ccc21 ZINC000063730593 1117791207 /nfs/dbraw/zinc/79/12/07/1117791207.db2.gz CZQXKRDLRGTSLB-UHFFFAOYSA-N 0 1 270.785 3.916 20 0 CHADMN Cc1csc(C(C)(C)NCCOc2ccc(C)cc2)n1 ZINC000072663104 1117795767 /nfs/dbraw/zinc/79/57/67/1117795767.db2.gz NLXGMXZBPGCDGM-UHFFFAOYSA-N 0 1 290.432 3.664 20 0 CHADMN CC1=C[C@H](C)C[C@H](C[N@H+]2CCc3cc(C(=O)[O-])ccc3C2)C1 ZINC000901679133 1117801919 /nfs/dbraw/zinc/80/19/19/1117801919.db2.gz ZWGFNQRMYZRLDL-ZFWWWQNUSA-N 0 1 299.414 3.735 20 0 CHADMN Cc1nc2ccc(NC(=O)C=C3CCCCC3)cc2[nH]1 ZINC000048927881 1128736301 /nfs/dbraw/zinc/73/63/01/1128736301.db2.gz MTGVOXSUYNVBPJ-UHFFFAOYSA-N 0 1 269.348 3.700 20 0 CHADMN C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2ccc(C3CC3)cc2)C1 ZINC000623207456 1117823230 /nfs/dbraw/zinc/82/32/30/1117823230.db2.gz UVCAYHRUZQRDJH-ZBEGNZNMSA-N 0 1 295.386 3.592 20 0 CHADMN CC(C)(C)c1ncc(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)cn1 ZINC000671305283 1117824093 /nfs/dbraw/zinc/82/40/93/1117824093.db2.gz YVIKOBDZRAUMNG-KWOWKCNFSA-N 0 1 299.462 3.785 20 0 CHADMN CCC(CC)[N@@H+](CC)Cc1ccc(F)cc1C(=O)[O-] ZINC001238239081 1117831322 /nfs/dbraw/zinc/83/13/22/1117831322.db2.gz QUVNUXYZIHWIKN-UHFFFAOYSA-N 0 1 267.344 3.534 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)N1C[C@H](C(C)C)c2ccccc21 ZINC000579072580 1128737833 /nfs/dbraw/zinc/73/78/33/1128737833.db2.gz YPUQWRMTLFDSBR-OAHLLOKOSA-N 0 1 297.402 3.933 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)N1C[C@@H](C(C)C)c2ccccc21 ZINC000579072579 1128738003 /nfs/dbraw/zinc/73/80/03/1128738003.db2.gz YPUQWRMTLFDSBR-HNNXBMFYSA-N 0 1 297.402 3.933 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNCc2cccc3n[nH]cc32)o1 ZINC000623362936 1117842356 /nfs/dbraw/zinc/84/23/56/1117842356.db2.gz QQEUHVPIRAUUDN-BXUZGUMPSA-N 0 1 281.359 3.569 20 0 CHADMN CC(C)N(C)CC(=O)N1Cc2ccccc2-c2ccccc21 ZINC000623355399 1117842426 /nfs/dbraw/zinc/84/24/26/1117842426.db2.gz BZXALGQWNVCXEE-UHFFFAOYSA-N 0 1 294.398 3.540 20 0 CHADMN Cc1ccoc1CN[C@H](C)[C@H](O)c1c(F)cccc1Cl ZINC000072923451 1117844817 /nfs/dbraw/zinc/84/48/17/1117844817.db2.gz OAPCZPQSGQZMQD-BMIGLBTASA-N 0 1 297.757 3.592 20 0 CHADMN CCOc1ccnc(N2CC[C@H](C3CCCCC3)C2)c1 ZINC001167063563 1117845711 /nfs/dbraw/zinc/84/57/11/1117845711.db2.gz DBJJVQXPISRCER-HNNXBMFYSA-N 0 1 274.408 3.887 20 0 CHADMN Cc1occc1CNCc1ccsc1C(F)(F)F ZINC000623372060 1117846010 /nfs/dbraw/zinc/84/60/10/1117846010.db2.gz BBBHCHGLDWYCNS-UHFFFAOYSA-N 0 1 275.295 3.958 20 0 CHADMN CCOc1ccc(C[N@H+]2CCC[C@@H](CSC)C2)cc1F ZINC000430198284 1117849685 /nfs/dbraw/zinc/84/96/85/1117849685.db2.gz QXSQTIZVNUSYBU-CQSZACIVSA-N 0 1 297.439 3.799 20 0 CHADMN Cc1cc([C@H](C)[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)oc1C(=O)[O-] ZINC000579118747 1128738770 /nfs/dbraw/zinc/73/87/70/1128738770.db2.gz AJSYKYZCYBRCKI-BNLOLNQZSA-N 0 1 291.391 3.859 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNc2cc3c(cn2)CCC3)o1 ZINC000339556818 1117853577 /nfs/dbraw/zinc/85/35/77/1117853577.db2.gz PDOZDAQSTLJTSP-IAQYHMDHSA-N 0 1 268.360 3.899 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(Cl)cc2C)C1 ZINC000233984802 1117854071 /nfs/dbraw/zinc/85/40/71/1117854071.db2.gz RYDYGNHEDDIXTR-MRXNPFEDSA-N 0 1 295.810 3.725 20 0 CHADMN Fc1ccc(CNc2cc3c(cn2)CCC3)c(Cl)c1 ZINC000339557379 1117854821 /nfs/dbraw/zinc/85/48/21/1117854821.db2.gz VSRCBVAIVYJZSB-UHFFFAOYSA-N 0 1 276.742 3.975 20 0 CHADMN CC(C)(CC(F)(F)F)NCc1ccncc1Cl ZINC000623502565 1117866389 /nfs/dbraw/zinc/86/63/89/1117866389.db2.gz PLAFHFFWSQMTPC-UHFFFAOYSA-N 0 1 266.694 3.556 20 0 CHADMN C[C@H]1C[C@@H](NCc2c(F)ccc(F)c2Cl)CS1 ZINC000623549531 1117870031 /nfs/dbraw/zinc/87/00/31/1117870031.db2.gz FEOQOMYEPGQDMS-JGVFFNPUSA-N 0 1 277.767 3.602 20 0 CHADMN CN(CCCCOC(C)(C)C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000579195566 1128740791 /nfs/dbraw/zinc/74/07/91/1128740791.db2.gz FYLSCTVOPGMHJH-UHFFFAOYSA-N 0 1 295.471 3.734 20 0 CHADMN FC1(F)CC(NCc2c(Cl)ccc3cccnc32)C1 ZINC000683206864 1117874660 /nfs/dbraw/zinc/87/46/60/1117874660.db2.gz QRQDTCGZWZKHFE-UHFFFAOYSA-N 0 1 282.721 3.776 20 0 CHADMN CCC[C@H](CNCc1ncc(C(C)(C)C)s1)OCC ZINC000623599726 1117877600 /nfs/dbraw/zinc/87/76/00/1117877600.db2.gz PXXVJQMWGZFPMX-GFCCVEGCSA-N 0 1 284.469 3.735 20 0 CHADMN c1c2cnccc2oc1CN[C@H](c1ccccn1)C1CCC1 ZINC000623638651 1117879767 /nfs/dbraw/zinc/87/97/67/1117879767.db2.gz NPJHKQXHHXGLRE-SFHVURJKSA-N 0 1 293.370 3.854 20 0 CHADMN COc1ccc([C@H](CCC(C)C)NCc2cc[nH]n2)cc1 ZINC000177954654 1117882620 /nfs/dbraw/zinc/88/26/20/1117882620.db2.gz AACWOHBBYWOREL-KRWDZBQOSA-N 0 1 287.407 3.685 20 0 CHADMN F[C@H]1CCC[C@H]1NCc1cscc1C(F)(F)F ZINC000339585087 1117888977 /nfs/dbraw/zinc/88/89/77/1117888977.db2.gz SWVNMYIQCLBZFG-VHSXEESVSA-N 0 1 267.291 3.747 20 0 CHADMN F[C@H]1CCC[C@@H]1NCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000339586045 1117890723 /nfs/dbraw/zinc/89/07/23/1117890723.db2.gz FFZYOPIZHCHAFX-GJZGRUSLSA-N 0 1 293.773 3.506 20 0 CHADMN F[C@H]1CCC[C@@H]1NCc1cnc(-c2ccsc2)s1 ZINC000339586894 1117891260 /nfs/dbraw/zinc/89/12/60/1117891260.db2.gz NGSKNRSQOVKLPS-RYUDHWBXSA-N 0 1 282.409 3.852 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(-c3ccsc3)cc2)CCO1 ZINC000339587578 1117892014 /nfs/dbraw/zinc/89/20/14/1117892014.db2.gz NLAUEZIOOVLDPY-CYBMUJFWSA-N 0 1 273.401 3.636 20 0 CHADMN C[C@@H]1CN(Cc2ccc(-c3ccsc3)cc2)CCO1 ZINC000339587578 1117892019 /nfs/dbraw/zinc/89/20/19/1117892019.db2.gz NLAUEZIOOVLDPY-CYBMUJFWSA-N 0 1 273.401 3.636 20 0 CHADMN Cc1ccc(-c2ncc(CN[C@H]3CCC[C@H]3F)s2)o1 ZINC000339590586 1117892718 /nfs/dbraw/zinc/89/27/18/1117892718.db2.gz QSYWVDLGYLPDCR-NEPJUHHUSA-N 0 1 280.368 3.692 20 0 CHADMN CCOc1ccc([C@H](C)N[C@H](C)c2cnc(C)nc2C)cc1 ZINC000119376396 1117893966 /nfs/dbraw/zinc/89/39/66/1117893966.db2.gz BJFHOFNPVAUOQD-QWHCGFSZSA-N 0 1 299.418 3.904 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@H](C)c2cncs2)cc1 ZINC000119375484 1117894292 /nfs/dbraw/zinc/89/42/92/1117894292.db2.gz SJLOLSXOSJWIDQ-VXGBXAGGSA-N 0 1 276.405 3.954 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2ccccc2F)n1 ZINC000178680259 1117894265 /nfs/dbraw/zinc/89/42/65/1117894265.db2.gz SHCWVPABNNZAGA-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cccn2cc(CN(C)[C@H](C)c3ccccc3)nc12 ZINC000066696221 1117896029 /nfs/dbraw/zinc/89/60/29/1117896029.db2.gz KXCCUFIMXIKOFT-OAHLLOKOSA-N 0 1 279.387 3.836 20 0 CHADMN OC[C@@H](N[C@@H]1CCCc2sccc21)c1ccsc1 ZINC000349411557 1117898469 /nfs/dbraw/zinc/89/84/69/1117898469.db2.gz KUXANQMCPUIYMA-CHWSQXEVSA-N 0 1 279.430 3.510 20 0 CHADMN COC(=O)c1ccccc1CN(C)[C@H](C)c1ccccc1 ZINC000349577446 1117900702 /nfs/dbraw/zinc/90/07/02/1117900702.db2.gz KVXLLZDYFYZNLJ-CQSZACIVSA-N 0 1 283.371 3.666 20 0 CHADMN Cc1c[nH]c(CN[C@@H](c2cccc(C)c2)C(C)C)n1 ZINC000623731296 1117902406 /nfs/dbraw/zinc/90/24/06/1117902406.db2.gz QSHBHRWXRZCORH-MRXNPFEDSA-N 0 1 257.381 3.513 20 0 CHADMN CC[C@H](C)C[N@@H+](C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430235078 1117903957 /nfs/dbraw/zinc/90/39/57/1117903957.db2.gz CFIQINZPLUOZAJ-AWEZNQCLSA-N 0 1 299.418 3.630 20 0 CHADMN C[C@H](NCc1cc(F)cc(F)c1)c1ccccc1N(C)C ZINC000179399585 1117904762 /nfs/dbraw/zinc/90/47/62/1117904762.db2.gz JLRGPBDUMHTYJA-LBPRGKRZSA-N 0 1 290.357 3.882 20 0 CHADMN c1ccc(OCCC[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000471165938 1117907496 /nfs/dbraw/zinc/90/74/96/1117907496.db2.gz SFBCIKRALAIYEK-SFHVURJKSA-N 0 1 267.372 3.903 20 0 CHADMN C[C@@H]1CC[C@H](CC(=O)Nc2c(=O)[nH][nH]c2-c2ccccc2)C1 ZINC000615283538 1128743150 /nfs/dbraw/zinc/74/31/50/1128743150.db2.gz YEEMEXSUYYSXBC-NEPJUHHUSA-N 0 1 299.374 3.547 20 0 CHADMN Cc1cccc([C@@H](N[C@H](C)COC(C)C)c2ccccn2)c1 ZINC000375596058 1117909423 /nfs/dbraw/zinc/90/94/23/1117909423.db2.gz HBUYKFAILKQWDF-VQIMIIECSA-N 0 1 298.430 3.883 20 0 CHADMN CCC(C)(C)[C@H]1CCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000579848157 1117914126 /nfs/dbraw/zinc/91/41/26/1117914126.db2.gz PEWDMQNJWMYDTJ-MRXNPFEDSA-N 0 1 289.419 3.828 20 0 CHADMN CC1(C)CCC[C@@H]1C(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000615283343 1128743529 /nfs/dbraw/zinc/74/35/29/1128743529.db2.gz SACINDNWHXUVRZ-GFCCVEGCSA-N 0 1 299.374 3.547 20 0 CHADMN FC(F)(F)c1n[nH]c2c1CCN(CCC1CCCC1)C2 ZINC001208696129 1117914991 /nfs/dbraw/zinc/91/49/91/1117914991.db2.gz MMKZWMUIGOBVRZ-ZDUSSCGKSA-N 0 1 287.329 3.923 20 0 CHADMN Clc1ccc(Cl)c(CN[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000623753841 1117921425 /nfs/dbraw/zinc/92/14/25/1117921425.db2.gz FFLRMYJUFWQUMC-JSGCOSHPSA-N 0 1 286.202 3.651 20 0 CHADMN Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)Cc2ncccc2[O-])cc1 ZINC000579290129 1128744119 /nfs/dbraw/zinc/74/41/19/1128744119.db2.gz FIJXFVRYIUYBNC-WMZOPIPTSA-N 0 1 296.414 3.864 20 0 CHADMN C[C@H]1CCC2=NN(c3ncc(Cl)cc3Cl)C(=O)[C@@H]2C1 ZINC000634584254 1117926023 /nfs/dbraw/zinc/92/60/23/1117926023.db2.gz XBFOYFWBACIJNI-IONNQARKSA-N 0 1 298.173 3.527 20 0 CHADMN C[C@@H](c1nc(C2CC(F)(F)C2)no1)N1[C@H](C)CC[C@H]1C ZINC000351118923 1117926854 /nfs/dbraw/zinc/92/68/54/1117926854.db2.gz BLPBZZGXNZVFOY-BBBLOLIVSA-N 0 1 285.338 3.516 20 0 CHADMN CN1CCC(=Nc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC001208801905 1117936694 /nfs/dbraw/zinc/93/66/94/1117936694.db2.gz CIRPQISQZYMIOE-UHFFFAOYSA-N 0 1 295.795 3.688 20 0 CHADMN Cc1ncccc1C[N@H+](Cc1ccc(O)cc1)CC1CC1 ZINC000349062708 1117936753 /nfs/dbraw/zinc/93/67/53/1117936753.db2.gz NQDCPCJEYSCKNY-UHFFFAOYSA-N 0 1 282.387 3.508 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2ccncc2Cl)c1 ZINC000180708530 1117938202 /nfs/dbraw/zinc/93/82/02/1117938202.db2.gz HXHWARGGQYPHQD-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN FC(F)(F)Cc1ccccc1CNCc1ccco1 ZINC000623820215 1117941569 /nfs/dbraw/zinc/94/15/69/1117941569.db2.gz OFPMHZQVBDTPCD-UHFFFAOYSA-N 0 1 269.266 3.674 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N1CCC[C@H]1CC1CCCC1 ZINC000655366420 1117943128 /nfs/dbraw/zinc/94/31/28/1117943128.db2.gz GDRPYTAKEHKULG-AWEZNQCLSA-N 0 1 297.402 3.748 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1cncc(F)c1)C(C)(C)C2 ZINC000339635983 1117944653 /nfs/dbraw/zinc/94/46/53/1117944653.db2.gz JIWQZNNIEXTSRV-UHFFFAOYSA-N 0 1 284.378 3.866 20 0 CHADMN CC(C)COC[C@H](N[C@@H](C)[C@@H]1CCCCO1)c1ccco1 ZINC000623882845 1117948302 /nfs/dbraw/zinc/94/83/02/1117948302.db2.gz KSIMYZWCMUHTLX-JYJNAYRXSA-N 0 1 295.423 3.541 20 0 CHADMN Cc1csc([C@@H](C)N[C@H](C)COc2cccc(F)c2)n1 ZINC000623870340 1117949326 /nfs/dbraw/zinc/94/93/26/1117949326.db2.gz WUWXLLKUHUODRP-ZYHUDNBSSA-N 0 1 294.395 3.709 20 0 CHADMN c1nc2c(s1)CCC[C@H]2NCCOC1CCCCCC1 ZINC000623895932 1117950375 /nfs/dbraw/zinc/95/03/75/1117950375.db2.gz CBOCVSVQGHGEOE-CQSZACIVSA-N 0 1 294.464 3.850 20 0 CHADMN Cc1csc([C@H](C)NC[C@@H](C)Oc2ccc(C)cc2)n1 ZINC000623899518 1117950796 /nfs/dbraw/zinc/95/07/96/1117950796.db2.gz KMGWQQRHCAFSPB-KGLIPLIRSA-N 0 1 290.432 3.878 20 0 CHADMN c1sc(CN2CC[C@@H](CC3CC3)C2)nc1C1CC1 ZINC000339676960 1117952281 /nfs/dbraw/zinc/95/22/81/1117952281.db2.gz JWHDYLGYDHGFMF-LBPRGKRZSA-N 0 1 262.422 3.643 20 0 CHADMN FC(F)(F)c1cncc(CN2CC[C@@H](CC3CC3)C2)c1 ZINC000339676470 1117952396 /nfs/dbraw/zinc/95/23/96/1117952396.db2.gz CXHGJOODHIRZGS-LBPRGKRZSA-N 0 1 284.325 3.722 20 0 CHADMN c1cn(Cc2ccccc2)c(CN2CC[C@@H](CC3CC3)C2)n1 ZINC000339686046 1117953866 /nfs/dbraw/zinc/95/38/66/1117953866.db2.gz KYCUWRHESQYGBR-SFHVURJKSA-N 0 1 295.430 3.553 20 0 CHADMN COc1ccc([C@@H](NCc2oc(C)nc2C)C2CC2)cc1 ZINC000314859653 1117955776 /nfs/dbraw/zinc/95/57/76/1117955776.db2.gz FQSVNZAZGJBLPM-KRWDZBQOSA-N 0 1 286.375 3.541 20 0 CHADMN COc1ccc([C@H](NCc2oc(C)nc2C)C2CC2)cc1 ZINC000314859654 1117956365 /nfs/dbraw/zinc/95/63/65/1117956365.db2.gz FQSVNZAZGJBLPM-QGZVFWFLSA-N 0 1 286.375 3.541 20 0 CHADMN Cc1cc(C)cc(NC(=O)[C@@H](C)N2CC(C)=C[C@H](C)C2)c1 ZINC000430265317 1117959165 /nfs/dbraw/zinc/95/91/65/1117959165.db2.gz UTUUCTUQRVWYRJ-GOEBONIOSA-N 0 1 286.419 3.528 20 0 CHADMN CC(C)[C@@]1(CO)CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000339702743 1117960633 /nfs/dbraw/zinc/96/06/33/1117960633.db2.gz GLHQWZBLHGDOBD-INIZCTEOSA-N 0 1 299.817 3.710 20 0 CHADMN C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](O)CC1 ZINC000339787452 1117974548 /nfs/dbraw/zinc/97/45/48/1117974548.db2.gz ORGHYDQRAVAKGX-CMPLNLGQSA-N 0 1 288.218 3.901 20 0 CHADMN Cc1cc(Cl)cc(C)c1CNCc1ccc(F)cn1 ZINC000339793989 1117975560 /nfs/dbraw/zinc/97/55/60/1117975560.db2.gz DRWVWRGRWPTQIO-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(Cl)cn2)cc1 ZINC000274974858 1117978509 /nfs/dbraw/zinc/97/85/09/1117978509.db2.gz YMQKHOLJFXWKPV-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN CCn1c2ccc(F)cc2nc1C[N@@H+](CC1CC1)C(C)C ZINC000533494728 1117983604 /nfs/dbraw/zinc/98/36/04/1117983604.db2.gz GVNFXVUZLSYBCV-UHFFFAOYSA-N 0 1 289.398 3.816 20 0 CHADMN COc1cc(C)nc(CN(C)[C@@H]2CCc3ccccc32)c1 ZINC000339840044 1117984219 /nfs/dbraw/zinc/98/42/19/1117984219.db2.gz CZLRCHHQDUEEQI-GOSISDBHSA-N 0 1 282.387 3.518 20 0 CHADMN Cc1cc(C[N@H+](C)C2CC(F)(F)C2)cc(C)c1F ZINC001143376732 1117987938 /nfs/dbraw/zinc/98/79/38/1117987938.db2.gz GAGGDGBSDUCYRU-UHFFFAOYSA-N 0 1 257.299 3.672 20 0 CHADMN Cc1cc(CN(C)C2CC(F)(F)C2)cc(C)c1F ZINC001143376732 1117987943 /nfs/dbraw/zinc/98/79/43/1117987943.db2.gz GAGGDGBSDUCYRU-UHFFFAOYSA-N 0 1 257.299 3.672 20 0 CHADMN COC[C@H](C)N(C)Cc1cnc(-c2ccc(C)cc2)s1 ZINC000179373919 1117994095 /nfs/dbraw/zinc/99/40/95/1117994095.db2.gz USCPVKZJYIZGHF-ZDUSSCGKSA-N 0 1 290.432 3.585 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H](C)c1ccoc1 ZINC000181401913 1117998257 /nfs/dbraw/zinc/99/82/57/1117998257.db2.gz YEWZVSJMRADZFM-RYUDHWBXSA-N 0 1 275.396 3.951 20 0 CHADMN C[C@]1(CN[C@@H](c2ncc[nH]2)c2ccccc2)C[C@H]2C[C@H]2C1 ZINC000624200874 1118005320 /nfs/dbraw/zinc/00/53/20/1118005320.db2.gz UUXANNXSPSFKIN-HPFXQQBRSA-N 0 1 281.403 3.525 20 0 CHADMN CC[C@@H](NCc1ccncc1Cl)c1ccc(OC)cc1 ZINC000181829471 1118007037 /nfs/dbraw/zinc/00/70/37/1118007037.db2.gz CJBHMVHDTNKFAN-MRXNPFEDSA-N 0 1 290.794 3.985 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNCc2ccc3c(c2)CCO3)o1 ZINC000077329687 1118007091 /nfs/dbraw/zinc/00/70/91/1118007091.db2.gz FUBROJAUYIVKLE-BLLLJJGKSA-N 0 1 283.371 3.628 20 0 CHADMN Brc1cnccc1CN1C2CCCC1CCC2 ZINC000625191534 1118008421 /nfs/dbraw/zinc/00/84/21/1118008421.db2.gz OHRUAGTXBXNCCI-UHFFFAOYSA-N 0 1 295.224 3.751 20 0 CHADMN CC[N@@H+](Cc1ccc(C)cc1C)C1CCC(C(=O)[O-])CC1 ZINC000579497263 1128749563 /nfs/dbraw/zinc/74/95/63/1128749563.db2.gz OMGXKNYMDYQYDG-UHFFFAOYSA-N 0 1 289.419 3.769 20 0 CHADMN Cc1nc(CN[C@@H](C)c2ccc(-c3ccccc3)cc2)n[nH]1 ZINC000358068221 1118013531 /nfs/dbraw/zinc/01/35/31/1118013531.db2.gz YXALURFOMUSPPD-ZDUSSCGKSA-N 0 1 292.386 3.631 20 0 CHADMN Cc1ccccc1-c1noc(C[N@@H+](C)C[C@@H]2CC2(C)C)n1 ZINC000662347646 1118015287 /nfs/dbraw/zinc/01/52/87/1118015287.db2.gz IOZMMTILNZJRSM-ZDUSSCGKSA-N 0 1 285.391 3.523 20 0 CHADMN Cc1ccccc1-c1noc(CN(C)C[C@@H]2CC2(C)C)n1 ZINC000662347646 1118015291 /nfs/dbraw/zinc/01/52/91/1118015291.db2.gz IOZMMTILNZJRSM-ZDUSSCGKSA-N 0 1 285.391 3.523 20 0 CHADMN Cc1ccc(CNCc2ccc(C(F)F)cc2)nc1 ZINC000360830717 1118027892 /nfs/dbraw/zinc/02/78/92/1118027892.db2.gz FRQKZVRVVAGRJO-UHFFFAOYSA-N 0 1 262.303 3.617 20 0 CHADMN COC[C@@H](C)N(C)c1ccnc2cc(C(F)(F)F)ccc21 ZINC000443670353 1118029065 /nfs/dbraw/zinc/02/90/65/1118029065.db2.gz SYIAQONBCYLMQA-SNVBAGLBSA-N 0 1 298.308 3.725 20 0 CHADMN C[C@@H]1CCCC[C@H]1CN(C)Cc1nccn1C(F)F ZINC000182993815 1118034788 /nfs/dbraw/zinc/03/47/88/1118034788.db2.gz JMUSINNEBWUWFI-NEPJUHHUSA-N 0 1 271.355 3.536 20 0 CHADMN CC[C@@H]1CCC[C@H](CN(C)Cc2cc(C)on2)C1 ZINC000182999669 1118035117 /nfs/dbraw/zinc/03/51/17/1118035117.db2.gz VLVHUTHXGAOFFO-KGLIPLIRSA-N 0 1 250.386 3.631 20 0 CHADMN CC(=O)c1cc(Cl)c(N=C2CCOC2)c(Cl)c1 ZINC001203390050 1118088983 /nfs/dbraw/zinc/08/89/83/1118088983.db2.gz NKOSJHZSCMMQGR-UHFFFAOYSA-N 0 1 272.131 3.522 20 0 CHADMN CCC[C@H](C)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000187711480 1118040051 /nfs/dbraw/zinc/04/00/51/1118040051.db2.gz HXFZXBOJCFFLQD-WFASDCNBSA-N 0 1 299.361 3.850 20 0 CHADMN Cc1nnc(CN[C@H](c2ccccc2C)C(C)C)n1C1CC1 ZINC000183205277 1118040798 /nfs/dbraw/zinc/04/07/98/1118040798.db2.gz MQDASIRPJALWBN-SFHVURJKSA-N 0 1 298.434 3.717 20 0 CHADMN Clc1ccc(CN2CC[C@@]3(C2)CCCCO3)s1 ZINC001204440319 1118042827 /nfs/dbraw/zinc/04/28/27/1118042827.db2.gz DFPFPLOJTXLNSM-CYBMUJFWSA-N 0 1 271.813 3.547 20 0 CHADMN CCN(Cc1nc(-c2ccc(C)cc2)no1)CC(C)C ZINC000045944498 1118043279 /nfs/dbraw/zinc/04/32/79/1118043279.db2.gz PRSJSYFFSCDOLM-UHFFFAOYSA-N 0 1 273.380 3.523 20 0 CHADMN C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccc(F)c1Cl ZINC000124315685 1118044003 /nfs/dbraw/zinc/04/40/03/1118044003.db2.gz VHMKWQXEMQZUHQ-TZMCWYRMSA-N 0 1 299.817 3.995 20 0 CHADMN c1cn2cc(CNC3(c4ccccc4)CCCC3)nc2s1 ZINC000183549589 1118046396 /nfs/dbraw/zinc/04/63/96/1118046396.db2.gz IBOPRTSDEJSTRB-UHFFFAOYSA-N 0 1 297.427 3.955 20 0 CHADMN CCC(CC)C[N@@H+](CC)Cc1ccc(F)cc1C(=O)[O-] ZINC000071264943 1118046399 /nfs/dbraw/zinc/04/63/99/1118046399.db2.gz HEXNAECVNGGJDS-UHFFFAOYSA-N 0 1 281.371 3.782 20 0 CHADMN CCCc1[nH]n(-c2ccnc3ccccc32)c(=O)c1CC ZINC000634603300 1118046532 /nfs/dbraw/zinc/04/65/32/1118046532.db2.gz VPNYBAUQVDQKGU-LBPRGKRZSA-N 0 1 281.359 3.764 20 0 CHADMN CC(C)n1cc(CN2CCCC3(C2)CCCCCC3)nn1 ZINC000579886010 1118047051 /nfs/dbraw/zinc/04/70/51/1118047051.db2.gz VLXUEYJUVYUOMI-UHFFFAOYSA-N 0 1 290.455 3.795 20 0 CHADMN C[C@@H](c1ccccn1)N(C)C/C=C/c1ccccc1 ZINC000183677296 1118047328 /nfs/dbraw/zinc/04/73/28/1118047328.db2.gz DVUWPSDLHXNVRW-SHQCLWGWSA-N 0 1 252.361 3.788 20 0 CHADMN CC(C)c1nc([C@H](C)NCC2(O)CCC(C)CC2)cs1 ZINC000120470223 1118051195 /nfs/dbraw/zinc/05/11/95/1118051195.db2.gz MAIGXDFFLBIORT-UYJPIKCFSA-N 0 1 296.480 3.858 20 0 CHADMN CC[C@H](NCCOc1ccc(F)cc1)c1nc(C)cs1 ZINC000184340278 1118053612 /nfs/dbraw/zinc/05/36/12/1118053612.db2.gz DCFPWNMZRLBECO-AWEZNQCLSA-N 0 1 294.395 3.710 20 0 CHADMN COC[C@@H](NCCSc1ccccc1)c1ccc(C)o1 ZINC000184661640 1118055994 /nfs/dbraw/zinc/05/59/94/1118055994.db2.gz FOYLJCZNZUIAGM-OAHLLOKOSA-N 0 1 291.416 3.657 20 0 CHADMN Cc1ccc(CNCc2ccc(F)cc2F)cc1C ZINC000050198641 1118057552 /nfs/dbraw/zinc/05/75/52/1118057552.db2.gz UKCZQCDSQOVSER-UHFFFAOYSA-N 0 1 261.315 3.871 20 0 CHADMN C[C@@H]1CC[C@@H]2C(=O)N(Cc3cc(Cl)ccc3Cl)N=C12 ZINC000634626754 1118061863 /nfs/dbraw/zinc/06/18/63/1118061863.db2.gz LKOIWRBUUUSDNA-KCJUWKMLSA-N 0 1 297.185 3.738 20 0 CHADMN C[C@@H]1CCc2c(=O)n(Cc3cc(Cl)ccc3Cl)[nH]c21 ZINC000634626754 1118061868 /nfs/dbraw/zinc/06/18/68/1118061868.db2.gz LKOIWRBUUUSDNA-KCJUWKMLSA-N 0 1 297.185 3.738 20 0 CHADMN CO[C@H](CN[C@H](C)c1nccs1)c1ccccc1Cl ZINC000090453472 1118062706 /nfs/dbraw/zinc/06/27/06/1118062706.db2.gz GDGYKBIJRLVWQV-ZWNOBZJWSA-N 0 1 296.823 3.835 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1ccc(F)nc1 ZINC000779153548 1128753407 /nfs/dbraw/zinc/75/34/07/1128753407.db2.gz GIZMACRRZICWEL-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN Cc1ccc(C)c(OCCCN2CCn3cccc3[C@@H]2C)c1 ZINC000510173903 1118068412 /nfs/dbraw/zinc/06/84/12/1118068412.db2.gz DBNUMUQVFZWTJG-KRWDZBQOSA-N 0 1 298.430 3.951 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CCC[C@@H](CF)C1 ZINC001238700364 1118074964 /nfs/dbraw/zinc/07/49/64/1118074964.db2.gz BDIOQUXRMSWAOV-ZDUSSCGKSA-N 0 1 283.362 3.794 20 0 CHADMN FC(F)(F)c1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000107793430 1118075882 /nfs/dbraw/zinc/07/58/82/1118075882.db2.gz IUGHBMGDOBKHKN-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN Fc1ccc(C2CCN(Cc3cncc(F)c3)CC2)cc1 ZINC000779156824 1128754058 /nfs/dbraw/zinc/75/40/58/1128754058.db2.gz JVCVAQSCUIDNNI-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN Oc1ccc(CN2CCCC(F)(F)CC2)c(Cl)c1 ZINC001140081108 1118093415 /nfs/dbraw/zinc/09/34/15/1118093415.db2.gz DRWHTUQCHMZNPN-UHFFFAOYSA-N 0 1 275.726 3.667 20 0 CHADMN CCCOc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)cc1 ZINC000579895791 1118094776 /nfs/dbraw/zinc/09/47/76/1118094776.db2.gz OLXIVZSTXHUIJW-ZDUSSCGKSA-N 0 1 283.362 3.953 20 0 CHADMN C[C@H](C1CC1)[N@@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000179731277 1128756026 /nfs/dbraw/zinc/75/60/26/1128756026.db2.gz LTMRKTDIYXQSCF-SNVBAGLBSA-N 0 1 265.784 3.809 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc2sccc2c1 ZINC001209968944 1118122689 /nfs/dbraw/zinc/12/26/89/1118122689.db2.gz GIFVGZUJNBOZJS-UHFFFAOYSA-N 0 1 255.346 3.931 20 0 CHADMN FCCCCO[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001209986885 1118128660 /nfs/dbraw/zinc/12/86/60/1118128660.db2.gz AHNYLNBGCMTWJJ-AWEZNQCLSA-N 0 1 285.790 3.681 20 0 CHADMN FC(F)c1ccc(CNCc2ccc(Cl)nc2)cc1 ZINC000764980740 1118129048 /nfs/dbraw/zinc/12/90/48/1118129048.db2.gz OINFHKMFWJYUAQ-UHFFFAOYSA-N 0 1 282.721 3.962 20 0 CHADMN Cc1ccc(F)c([C@@H](C)[C@@H](c2nc[nH]n2)c2cccnc2)c1 ZINC000340274413 1118129347 /nfs/dbraw/zinc/12/93/47/1118129347.db2.gz YIGAXFGUKDFSLB-MLGOLLRUSA-N 0 1 296.349 3.583 20 0 CHADMN CC(C)[C@H](NC[C@H](O)C(F)(F)F)c1ccccc1Cl ZINC000120517556 1118130205 /nfs/dbraw/zinc/13/02/05/1118130205.db2.gz GRXHWUGYIALJGC-RYUDHWBXSA-N 0 1 295.732 3.550 20 0 CHADMN CCOC(=O)CN(CCC1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC001167267848 1118134861 /nfs/dbraw/zinc/13/48/61/1118134861.db2.gz LQONJLBFVNQLMU-GJZGRUSLSA-N 0 1 283.456 3.722 20 0 CHADMN CCCCCC(C)(C)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000765234851 1118139186 /nfs/dbraw/zinc/13/91/86/1118139186.db2.gz GTVIQCBSMCGZOQ-GFCCVEGCSA-N 0 1 294.443 3.712 20 0 CHADMN Cc1cccc(C)c1C[NH2+]Cc1ccc([O-])c(Cl)c1 ZINC000765277134 1118141955 /nfs/dbraw/zinc/14/19/55/1118141955.db2.gz CIWSSWHRWTYGJG-UHFFFAOYSA-N 0 1 275.779 3.952 20 0 CHADMN CCCOc1ncccc1CN[C@@H]1CCc2cc(C)ccc21 ZINC000765332581 1118145114 /nfs/dbraw/zinc/14/51/14/1118145114.db2.gz RMNXCUUWKPAMDS-GOSISDBHSA-N 0 1 296.414 3.956 20 0 CHADMN CC(C)(O)C=Cc1ccc2nc3cc[nH]cc-3c2c1 ZINC001239161798 1118148220 /nfs/dbraw/zinc/14/82/20/1118148220.db2.gz IHGULNCDDZYAAY-FNORWQNLSA-N 0 1 252.317 3.500 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(F)cc2F)C2CC2)ccn1 ZINC001168540400 1118151372 /nfs/dbraw/zinc/15/13/72/1118151372.db2.gz ADDAOWCBRQFOOZ-QGZVFWFLSA-N 0 1 288.341 3.909 20 0 CHADMN CCc1ccc(Nc2cc3cn[nH]c3cc2C)cn1 ZINC001210101137 1118152291 /nfs/dbraw/zinc/15/22/91/1118152291.db2.gz CAWIXVJSTAZINV-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN Cc1cccc(CNCc2ccc(C3CC3)cc2)n1 ZINC000094519645 1118152417 /nfs/dbraw/zinc/15/24/17/1118152417.db2.gz ZOWRDBYUOIJICB-UHFFFAOYSA-N 0 1 252.361 3.557 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2ccnn2C2CCC2)cc1 ZINC000921513791 1118154344 /nfs/dbraw/zinc/15/43/44/1118154344.db2.gz QGIIJMLSVVYENT-CQSZACIVSA-N 0 1 299.418 3.858 20 0 CHADMN C[C@H](N[C@@H](C)c1cncc(F)c1)c1ccc2c(c1)CCO2 ZINC000765498867 1118157047 /nfs/dbraw/zinc/15/70/47/1118157047.db2.gz FJQUTLVMEHAFOW-RYUDHWBXSA-N 0 1 286.350 3.567 20 0 CHADMN C[C@H](NCCCOc1ccc2ccccc2c1)c1ccon1 ZINC000542650174 1118159727 /nfs/dbraw/zinc/15/97/27/1118159727.db2.gz PYFMNRQZJDVPAY-AWEZNQCLSA-N 0 1 296.370 3.948 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cccc(C)c3C)cc2[nH]1 ZINC000010896075 1118160021 /nfs/dbraw/zinc/16/00/21/1118160021.db2.gz RKKINEIHHIPCCK-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1c2ccccc2sc1C(=O)[O-] ZINC000164544007 1118160122 /nfs/dbraw/zinc/16/01/22/1118160122.db2.gz MMDWIOHWRMPRHT-WDEREUQCSA-N 0 1 289.400 3.830 20 0 CHADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000164543893 1118160364 /nfs/dbraw/zinc/16/03/64/1118160364.db2.gz MMDWIOHWRMPRHT-GHMZBOCLSA-N 0 1 289.400 3.830 20 0 CHADMN CC[C@@H](C)CN(C)Cc1csc(-c2ccccn2)n1 ZINC000171950290 1118161007 /nfs/dbraw/zinc/16/10/07/1118161007.db2.gz DKQQMVWXSKGHTD-GFCCVEGCSA-N 0 1 275.421 3.683 20 0 CHADMN Cc1ccc(SCCN[C@@H](C)c2ccon2)cc1C ZINC000542654495 1118164993 /nfs/dbraw/zinc/16/49/93/1118164993.db2.gz HCGWGKPXMBPVOX-ZDUSSCGKSA-N 0 1 276.405 3.734 20 0 CHADMN CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000172003866 1118165160 /nfs/dbraw/zinc/16/51/60/1118165160.db2.gz CNMUGNDTIUTQHL-KRWDZBQOSA-N 0 1 297.402 3.756 20 0 CHADMN CC(C)n1ccc(CN(C)CCCc2ccccc2)n1 ZINC000172012108 1118167543 /nfs/dbraw/zinc/16/75/43/1118167543.db2.gz PEDONUCVPKWXMC-UHFFFAOYSA-N 0 1 271.408 3.529 20 0 CHADMN CC(C)[C@@H](NCCc1cccs1)c1nc(C2CC2)no1 ZINC000179802565 1128759949 /nfs/dbraw/zinc/75/99/49/1128759949.db2.gz IRWMMGDQTFDVHM-CYBMUJFWSA-N 0 1 291.420 3.538 20 0 CHADMN Cc1ncsc1CN[C@H](c1ccc(F)cc1F)C1CC1 ZINC001168543523 1118170238 /nfs/dbraw/zinc/17/02/38/1118170238.db2.gz VELNNFQYRWDSQG-HNNXBMFYSA-N 0 1 294.370 3.971 20 0 CHADMN Clc1ccc2nc(SCCc3ccccn3)[nH]c2c1 ZINC000023138188 1118179139 /nfs/dbraw/zinc/17/91/39/1118179139.db2.gz SIIOABOEKWQUFY-UHFFFAOYSA-N 0 1 289.791 3.946 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1nnc(C2CC2)n1C1CC1 ZINC000185864685 1118181966 /nfs/dbraw/zinc/18/19/66/1118181966.db2.gz XVWXRQLLUYZWKH-CQSZACIVSA-N 0 1 288.439 3.645 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1nnc(-c2cccc(F)c2)o1 ZINC000075719289 1128765303 /nfs/dbraw/zinc/76/53/03/1128765303.db2.gz GQGRNDRXZXYWES-VXGBXAGGSA-N 0 1 289.354 3.639 20 0 CHADMN CCCCCCN(Cc1ccco1)C(=O)c1cnc(C)[nH]1 ZINC000890937122 1118183330 /nfs/dbraw/zinc/18/33/30/1118183330.db2.gz XGYVXHTZUYARNP-UHFFFAOYSA-N 0 1 289.379 3.534 20 0 CHADMN CC[C@H](NCC1(C(F)(F)F)CCCC1)c1ccn(C)n1 ZINC000624272566 1118186013 /nfs/dbraw/zinc/18/60/13/1118186013.db2.gz KNRIKYZUEYLSES-NSHDSACASA-N 0 1 289.345 3.584 20 0 CHADMN COc1ccc([C@H](N[C@@H]2CCCn3ccnc32)C(C)C)cc1 ZINC000655696418 1118187083 /nfs/dbraw/zinc/18/70/83/1118187083.db2.gz OXKRZBDXBLDAPR-IAGOWNOFSA-N 0 1 299.418 3.714 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1cccnc1C(F)(F)F ZINC000625315665 1118190096 /nfs/dbraw/zinc/19/00/96/1118190096.db2.gz GIVRGIFOIGQCMA-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN Cc1ccc([C@H](NCc2cc3n(n2)CCCC3)C2CC2)cc1 ZINC000655709268 1118190360 /nfs/dbraw/zinc/19/03/60/1118190360.db2.gz VKOKHORJQOKLBN-IBGZPJMESA-N 0 1 295.430 3.769 20 0 CHADMN CC(C)Oc1cccc(CNCc2ccnn2C2CCC2)c1 ZINC000921552103 1118191003 /nfs/dbraw/zinc/19/10/03/1118191003.db2.gz WWAQMZSMBWUEIM-UHFFFAOYSA-N 0 1 299.418 3.685 20 0 CHADMN CCc1cc(CN[C@@H]2CCc3cc(C)cc(C)c32)on1 ZINC000655715426 1118191822 /nfs/dbraw/zinc/19/18/22/1118191822.db2.gz KABUDVULOGNUEZ-MRXNPFEDSA-N 0 1 270.376 3.631 20 0 CHADMN C[C@H]1CC[C@H](NCc2coc(-c3ccccc3)n2)CS1 ZINC000655720569 1118192300 /nfs/dbraw/zinc/19/23/00/1118192300.db2.gz ZNCMTRPBHNSGSP-JSGCOSHPSA-N 0 1 288.416 3.715 20 0 CHADMN c1cc2c(s1)CN(CC1=Cc3ccccc3OC1)CC2 ZINC000127066739 1118196756 /nfs/dbraw/zinc/19/67/56/1118196756.db2.gz UBNPASRWZFWBPD-UHFFFAOYSA-N 0 1 283.396 3.582 20 0 CHADMN Cc1cc2c(c(C)c1)[C@@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)CC2 ZINC000655736420 1118198064 /nfs/dbraw/zinc/19/80/64/1118198064.db2.gz GSMJTCAVLXFYAB-ZFWWWQNUSA-N 0 1 298.434 3.883 20 0 CHADMN Cc1nc2cc(N[C@H]3CC[C@H](C)SC3)ccc2n1C ZINC000655752265 1118201414 /nfs/dbraw/zinc/20/14/14/1118201414.db2.gz PPQGLMOGHOIXRQ-GWCFXTLKSA-N 0 1 275.421 3.578 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@@H](C)c1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000399383190 1118202056 /nfs/dbraw/zinc/20/20/56/1118202056.db2.gz JRUUVCCKSQCAID-QWRGUYRKSA-N 0 1 267.369 3.653 20 0 CHADMN C[C@H]1CC[C@H](NCc2c(F)cc(F)c(F)c2F)CS1 ZINC000655761915 1118205393 /nfs/dbraw/zinc/20/53/93/1118205393.db2.gz QOMDTQJPMQQKMP-YUMQZZPRSA-N 0 1 293.329 3.617 20 0 CHADMN Cc1cnc(Cl)c(CN[C@H]2CCc3cc(F)ccc32)c1 ZINC000921614015 1118206351 /nfs/dbraw/zinc/20/63/51/1118206351.db2.gz LDSSXDZIHQMWHB-HNNXBMFYSA-N 0 1 290.769 3.960 20 0 CHADMN Cc1cc2c(c(C)c1)[C@@H](N[C@@H]1C[C@H](C)n3ccnc31)CC2 ZINC000655771812 1118207479 /nfs/dbraw/zinc/20/74/79/1118207479.db2.gz GLAWPPMHNSXUSB-CWRNSKLLSA-N 0 1 281.403 3.783 20 0 CHADMN Fc1ccc(F)c(CN2CC[C@H](Nc3ccccc3)C2)c1 ZINC000102846054 1118209998 /nfs/dbraw/zinc/20/99/98/1118209998.db2.gz IPWZMHVICZOIJD-INIZCTEOSA-N 0 1 288.341 3.651 20 0 CHADMN C[C@@H](c1nc2ccccc2s1)N(C)CCc1cccnc1 ZINC000172152993 1118212722 /nfs/dbraw/zinc/21/27/22/1118212722.db2.gz BUCGTQDRKSGFLE-ZDUSSCGKSA-N 0 1 297.427 3.927 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)CC3CC3)cc2[nH]1 ZINC000028969513 1118213614 /nfs/dbraw/zinc/21/36/14/1118213614.db2.gz ANADNSSAGKGLTI-UHFFFAOYSA-N 0 1 271.364 3.599 20 0 CHADMN CN(Cc1ccc(Cl)s1)C[C@@H](O)c1ccccc1F ZINC000075608654 1128763173 /nfs/dbraw/zinc/76/31/73/1128763173.db2.gz YPDJXWBHQLQSCG-CYBMUJFWSA-N 0 1 299.798 3.706 20 0 CHADMN CC(C)c1cnc(CN[C@H](C2CC2)[C@H]2CCCCO2)s1 ZINC000655812336 1118220206 /nfs/dbraw/zinc/22/02/06/1118220206.db2.gz PDGVTCWFPUJIDG-CZUORRHYSA-N 0 1 294.464 3.704 20 0 CHADMN O=C(CCCC1CCCC1)NCc1ccc2nc[nH]c2c1 ZINC000615788893 1128763472 /nfs/dbraw/zinc/76/34/72/1128763472.db2.gz GHZSGBKXDMAIGH-UHFFFAOYSA-N 0 1 285.391 3.540 20 0 CHADMN CC(=O)c1ccc(C(=O)Nc2cccc(Cl)c2O)cc1 ZINC000077010926 1118220575 /nfs/dbraw/zinc/22/05/75/1118220575.db2.gz DOUSEALPTPWMHQ-UHFFFAOYSA-N 0 1 289.718 3.501 20 0 CHADMN Fc1ccc(F)c(CNCc2ccc3ncccc3c2)c1 ZINC000069051363 1118223403 /nfs/dbraw/zinc/22/34/03/1118223403.db2.gz WCYLRMWNYCRNSW-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN CO[C@H]1C[C@H](N[C@H](C)c2csc(-c3ccccc3)n2)C1 ZINC000624301028 1118224023 /nfs/dbraw/zinc/22/40/23/1118224023.db2.gz YCVUIHDRALWAQQ-MRVWCRGKSA-N 0 1 288.416 3.638 20 0 CHADMN Cc1[nH]ncc1CNc1ccccc1OCCC(C)C ZINC000655820759 1118224222 /nfs/dbraw/zinc/22/42/22/1118224222.db2.gz KKQDCKSPQBOLEA-UHFFFAOYSA-N 0 1 273.380 3.755 20 0 CHADMN C[C@@H]1CCN(C(=O)c2cccc3c[nH]nc32)[C@H]2CCCC[C@@H]12 ZINC000615803779 1128763857 /nfs/dbraw/zinc/76/38/57/1128763857.db2.gz KRJACPMNVOXFSL-INWMFGNUSA-N 0 1 297.402 3.604 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Br)s2)C[C@H]1C ZINC000253055034 1118231446 /nfs/dbraw/zinc/23/14/46/1118231446.db2.gz ACYNPQBXGYHWTK-NXEZZACHSA-N 0 1 288.254 3.989 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1cscn1 ZINC000172307221 1118231894 /nfs/dbraw/zinc/23/18/94/1118231894.db2.gz SCTWUMIJQJGJOX-TZMCWYRMSA-N 0 1 258.390 3.521 20 0 CHADMN CC(C)c1noc(CN2C[C@H](c3ccccc3)C[C@H]2C)n1 ZINC000172307289 1118232070 /nfs/dbraw/zinc/23/20/70/1118232070.db2.gz ZTXGHMMGERAZKO-UKRRQHHQSA-N 0 1 285.391 3.571 20 0 CHADMN Cc1ccc([C@H](C)N(C)C(=O)c2cccc3n[nH]cc32)cc1 ZINC000042042166 1118234483 /nfs/dbraw/zinc/23/44/83/1118234483.db2.gz JIDYYHDSENRKHZ-ZDUSSCGKSA-N 0 1 293.370 3.705 20 0 CHADMN O=C(Nc1ccc(O)cc1Cl)c1cc(Cl)ccc1O ZINC000085204723 1118242065 /nfs/dbraw/zinc/24/20/65/1118242065.db2.gz PCMRASQCBPRUTG-UHFFFAOYSA-N 0 1 298.125 3.657 20 0 CHADMN CC(C)CC(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615813925 1128765495 /nfs/dbraw/zinc/76/54/95/1128765495.db2.gz PIUSKFKMTQFAMS-SNVBAGLBSA-N 0 1 293.798 3.782 20 0 CHADMN Cc1cccc2c1OCC[C@H]2NCc1ccnn1C1CCC1 ZINC000921634629 1118243730 /nfs/dbraw/zinc/24/37/30/1118243730.db2.gz PKBZNWNLNAMQET-QGZVFWFLSA-N 0 1 297.402 3.530 20 0 CHADMN CN(Cc1ccc(Cl)s1)C[C@H]1CCC(C)(C)O1 ZINC000409444976 1118244147 /nfs/dbraw/zinc/24/41/47/1118244147.db2.gz IHBKFSJPVXUPKS-SNVBAGLBSA-N 0 1 273.829 3.791 20 0 CHADMN O=C([O-])[C@]1(c2ccccc2)CC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000579961219 1118245506 /nfs/dbraw/zinc/24/55/06/1118245506.db2.gz CJUBRYSCHIRBHO-IEBWSBKVSA-N 0 1 299.414 3.604 20 0 CHADMN Cc1ccc2nc(SCOC(=O)C(C)(C)C)[nH]c2c1 ZINC000179887388 1128765193 /nfs/dbraw/zinc/76/51/93/1128765193.db2.gz KZUPAPNDFWHARL-UHFFFAOYSA-N 0 1 278.377 3.510 20 0 CHADMN Fc1cc(F)c(CNC[C@@H]2CCC3(CCCC3)O2)cc1F ZINC000655862549 1118248467 /nfs/dbraw/zinc/24/84/67/1118248467.db2.gz ASARPENBPAFBSG-LBPRGKRZSA-N 0 1 299.336 3.685 20 0 CHADMN CN(CCC(F)(F)F)C[C@H]1CCC2(CCCCC2)O1 ZINC000409445980 1118248632 /nfs/dbraw/zinc/24/86/32/1118248632.db2.gz ONZWDSJXYZZKOO-GFCCVEGCSA-N 0 1 279.346 3.753 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1c2ccccc2C[C@@H]1C ZINC000340442143 1118251470 /nfs/dbraw/zinc/25/14/70/1118251470.db2.gz NFZZANLPPUAEMW-GTNSWQLSSA-N 0 1 270.376 3.569 20 0 CHADMN Cc1ccccc1CN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000044736365 1118251513 /nfs/dbraw/zinc/25/15/13/1118251513.db2.gz XHAHGRSKFYIFKR-SFHVURJKSA-N 0 1 285.362 3.708 20 0 CHADMN Clc1ncccc1CN(C[C@H]1CCCO1)C1CCCC1 ZINC000075831044 1128765829 /nfs/dbraw/zinc/76/58/29/1128765829.db2.gz AJTSGWYJJAQIKY-OAHLLOKOSA-N 0 1 294.826 3.659 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000214207982 1118258702 /nfs/dbraw/zinc/25/87/02/1118258702.db2.gz PYCHDYNQIOBNBB-AWEZNQCLSA-N 0 1 279.355 3.679 20 0 CHADMN CCC(=CC(=O)Nc1cccc(Cl)c1O)CC ZINC000177628127 1118258794 /nfs/dbraw/zinc/25/87/94/1118258794.db2.gz ITTJJKFSDZEVJR-UHFFFAOYSA-N 0 1 253.729 3.731 20 0 CHADMN Cc1ncc(CN[C@@H](c2cccc(F)c2)C(C)(C)C)cn1 ZINC000351729950 1118264762 /nfs/dbraw/zinc/26/47/62/1118264762.db2.gz JOXACVCCDCTRRC-INIZCTEOSA-N 0 1 287.382 3.801 20 0 CHADMN C=Cc1ccc(CNc2cn3ccnc3cc2C)cc1 ZINC001168578048 1118266236 /nfs/dbraw/zinc/26/62/36/1118266236.db2.gz NWWPYVDAXGAOCV-UHFFFAOYSA-N 0 1 263.344 3.898 20 0 CHADMN Cc1cc([C@@H](C)NCCSCc2ccccc2F)no1 ZINC000340462372 1118267400 /nfs/dbraw/zinc/26/74/00/1118267400.db2.gz MIWJPFLDSDMTBI-GFCCVEGCSA-N 0 1 294.395 3.706 20 0 CHADMN C[C@H](NCc1ccc(F)nc1)c1ccc(OC(F)F)cc1 ZINC000188977310 1128766942 /nfs/dbraw/zinc/76/69/42/1128766942.db2.gz KVUDKKWJWGKNQL-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN CN(CCCc1ccccc1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000683677843 1118275290 /nfs/dbraw/zinc/27/52/90/1118275290.db2.gz ACFDLFSFKKVJGK-UHFFFAOYSA-N 0 1 285.435 3.772 20 0 CHADMN Cc1cc(C(=O)CN(C)[C@@H](C)Cc2ccccc2C)c(C)[nH]1 ZINC000683678134 1118276537 /nfs/dbraw/zinc/27/65/37/1118276537.db2.gz CQZRQMUPQWRFNH-HNNXBMFYSA-N 0 1 298.430 3.686 20 0 CHADMN Clc1ccc([C@H]2C[C@H]([NH2+]Cc3ccn[nH]3)C2)cc1Cl ZINC000282182230 1118277711 /nfs/dbraw/zinc/27/77/11/1118277711.db2.gz KCGQVRWSPXZXRD-UMSPYCQHSA-N 0 1 296.201 3.752 20 0 CHADMN CC(C)(C)c1csc(CN2CCC[C@H]2C2CC2)n1 ZINC000674863937 1118279989 /nfs/dbraw/zinc/27/99/89/1118279989.db2.gz TZQBMRZDOXSRAK-LBPRGKRZSA-N 0 1 264.438 3.815 20 0 CHADMN CC[C@@H](F)CN[C@@H](C)c1ccc(Br)cc1F ZINC000309450227 1118287589 /nfs/dbraw/zinc/28/75/89/1118287589.db2.gz KVSJDTIWCAQGKF-WCBMZHEXSA-N 0 1 292.167 3.987 20 0 CHADMN CCCN(CCC)C(=O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000058581364 1118289461 /nfs/dbraw/zinc/28/94/61/1118289461.db2.gz BVXYZQYUVBTZSM-HNNXBMFYSA-N 0 1 294.464 3.534 20 0 CHADMN CCCN(CCC)C(=O)CN1CCC[C@H]1c1ccsc1 ZINC000058581364 1118289465 /nfs/dbraw/zinc/28/94/65/1118289465.db2.gz BVXYZQYUVBTZSM-HNNXBMFYSA-N 0 1 294.464 3.534 20 0 CHADMN CCO[C@@H]1CCCN(Cc2ccc(C)c(Cl)c2)C1 ZINC000683694674 1118290886 /nfs/dbraw/zinc/29/08/86/1118290886.db2.gz CGCKFNXGYOEOGV-CQSZACIVSA-N 0 1 267.800 3.649 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C3=CCCCCC3)ccc12 ZINC000131998383 1118301523 /nfs/dbraw/zinc/30/15/23/1118301523.db2.gz LXPLBQJBOLQCDD-UHFFFAOYSA-N 0 1 269.348 3.700 20 0 CHADMN CC(C)(NCc1ccc(F)nc1)c1ccc(F)c(F)c1 ZINC000189140360 1128768609 /nfs/dbraw/zinc/76/86/09/1128768609.db2.gz HRZBGTZKOLZFEC-UHFFFAOYSA-N 0 1 280.293 3.524 20 0 CHADMN Cc1scc(CNCc2cnn(C(C)(C)C)c2)c1C ZINC000399756330 1118304476 /nfs/dbraw/zinc/30/44/76/1118304476.db2.gz BPTCCKDBPQVLCQ-UHFFFAOYSA-N 0 1 277.437 3.606 20 0 CHADMN Cc1scc(CNCc2cnc3ccccc3n2)c1C ZINC000399756864 1118304942 /nfs/dbraw/zinc/30/49/42/1118304942.db2.gz BHMIDSFJJGOSIC-UHFFFAOYSA-N 0 1 283.400 3.598 20 0 CHADMN Cc1ccc(-c2nnc([C@@H](C)N3CCC[C@@H](C)C3)o2)cc1 ZINC000060992168 1118304972 /nfs/dbraw/zinc/30/49/72/1118304972.db2.gz JPRNKNRYFWTJON-ZIAGYGMSSA-N 0 1 285.391 3.838 20 0 CHADMN COCCN(Cc1ccccc1)Cc1cc(C)ccc1OC ZINC000061780295 1118309949 /nfs/dbraw/zinc/30/99/49/1118309949.db2.gz RYANCAICPHRQAC-UHFFFAOYSA-N 0 1 299.414 3.652 20 0 CHADMN COc1ccc(C)cc1CN(C)Cc1ccc(C)cc1 ZINC000061779419 1118310427 /nfs/dbraw/zinc/31/04/27/1118310427.db2.gz PSYHLNUSKVRZBV-UHFFFAOYSA-N 0 1 269.388 3.944 20 0 CHADMN Cc1c(Cl)cccc1CNc1cnn(-c2ccncc2)c1 ZINC001649070823 1118312427 /nfs/dbraw/zinc/31/24/27/1118312427.db2.gz LVZFAISWEIDSAG-UHFFFAOYSA-N 0 1 298.777 3.841 20 0 CHADMN CCO[C@H](CN[C@H](C)c1ccncc1F)c1ccccc1 ZINC000340509926 1118313198 /nfs/dbraw/zinc/31/31/98/1118313198.db2.gz SWUCDEMIEFUBMA-CXAGYDPISA-N 0 1 288.366 3.649 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2C[C@H]1C)c1ccncc1F ZINC000340517525 1118314565 /nfs/dbraw/zinc/31/45/65/1118314565.db2.gz CJMQQHMDJMWQBW-PEBVRCNWSA-N 0 1 270.351 3.805 20 0 CHADMN c1coc(-c2cc(CN3CCC4(CCC4)CC3)no2)c1 ZINC000671728414 1118315004 /nfs/dbraw/zinc/31/50/04/1118315004.db2.gz NGLOCIMFKKSQAG-UHFFFAOYSA-N 0 1 272.348 3.701 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2ncccc2F)c1 ZINC001207026320 1118315790 /nfs/dbraw/zinc/31/57/90/1118315790.db2.gz IJZPTNLNLAWVDZ-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN F[C@@H]1CCC[C@@H]1N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000340525468 1118317460 /nfs/dbraw/zinc/31/74/60/1118317460.db2.gz LGDFJEJQETWCPZ-ILXRZTDVSA-N 0 1 275.367 3.913 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000063581488 1118317998 /nfs/dbraw/zinc/31/79/98/1118317998.db2.gz UVSHIEVTEPHMDC-CRAIPNDOSA-N 0 1 267.372 3.649 20 0 CHADMN CCO[C@@H]1CCCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000155473352 1118324085 /nfs/dbraw/zinc/32/40/85/1118324085.db2.gz XYJYOWSBMWDOSS-CQSZACIVSA-N 0 1 294.464 3.802 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccc3[nH]c(=O)oc3c2)o1 ZINC000671739524 1118327605 /nfs/dbraw/zinc/32/76/05/1118327605.db2.gz UJBYBIFVYHFJAT-MNOVXSKESA-N 0 1 286.331 3.847 20 0 CHADMN COc1cc(CNCc2cc(C)cs2)c(Cl)cc1O ZINC000639228394 1118327778 /nfs/dbraw/zinc/32/77/78/1118327778.db2.gz XBOFPDWVZJMIRM-UHFFFAOYSA-N 0 1 297.807 3.714 20 0 CHADMN CCc1ccc(CN(Cc2ccccn2)C2CC2)cc1 ZINC000064809360 1118329461 /nfs/dbraw/zinc/32/94/61/1118329461.db2.gz OSASCBDUVAJGNI-UHFFFAOYSA-N 0 1 266.388 3.809 20 0 CHADMN CCCN1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1C ZINC000110480819 1118331465 /nfs/dbraw/zinc/33/14/65/1118331465.db2.gz OJZHLBFBDWXSFY-OAHLLOKOSA-N 0 1 294.826 3.851 20 0 CHADMN Cc1scc(CNCc2cc(F)cc(F)c2)c1C ZINC000399852303 1118333253 /nfs/dbraw/zinc/33/32/53/1118333253.db2.gz ZOIUJQPHUQXGRQ-UHFFFAOYSA-N 0 1 267.344 3.933 20 0 CHADMN CCCC[N@@H+](C)Cc1csc(Br)c1 ZINC000047698356 1118334342 /nfs/dbraw/zinc/33/43/42/1118334342.db2.gz YQNWPFTXPJUKDI-UHFFFAOYSA-N 0 1 262.216 3.743 20 0 CHADMN CCN(Cc1ccc(F)nc1)[C@@H](C)c1cccc(OC)c1 ZINC000189299789 1128770839 /nfs/dbraw/zinc/77/08/39/1128770839.db2.gz MKHKAKNWDGAVEK-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN COc1cccc(-c2nc(CN(C)CC(C)C)cs2)c1 ZINC000065961497 1118341092 /nfs/dbraw/zinc/34/10/92/1118341092.db2.gz KYHXHXRYMWUUEL-UHFFFAOYSA-N 0 1 290.432 3.907 20 0 CHADMN Clc1cccc2c1CC[C@@H]2N[C@@H]1CCCc2c[nH]nc21 ZINC000537956514 1118342435 /nfs/dbraw/zinc/34/24/35/1118342435.db2.gz UGTDWJJVBWYMOZ-LSDHHAIUSA-N 0 1 287.794 3.718 20 0 CHADMN COCC[C@@H](Sc1nc(C2CC2)n[nH]1)c1ccccc1 ZINC000340547831 1118343560 /nfs/dbraw/zinc/34/35/60/1118343560.db2.gz WGIMCFJWVLJSMZ-CYBMUJFWSA-N 0 1 289.404 3.552 20 0 CHADMN COCC[C@@H](Sc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000340547831 1118343561 /nfs/dbraw/zinc/34/35/61/1118343561.db2.gz WGIMCFJWVLJSMZ-CYBMUJFWSA-N 0 1 289.404 3.552 20 0 CHADMN CCn1ccnc1CN1CCC[C@H](c2ccccc2)CC1 ZINC000066897637 1118349710 /nfs/dbraw/zinc/34/97/10/1118349710.db2.gz MDKNGWDOIHEIKT-KRWDZBQOSA-N 0 1 283.419 3.673 20 0 CHADMN COCC[C@H](NCc1ccc2cnccc2c1)c1ccco1 ZINC000683775089 1118355026 /nfs/dbraw/zinc/35/50/26/1118355026.db2.gz XERXXAFLXRMPEY-KRWDZBQOSA-N 0 1 296.370 3.695 20 0 CHADMN CCCc1cc(=O)n(-c2ccc(Cl)cc2Cl)[nH]1 ZINC000116603056 1118356867 /nfs/dbraw/zinc/35/68/67/1118356867.db2.gz DKGSEMTZZMNMKD-UHFFFAOYSA-N 0 1 271.147 3.837 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](c2nccn2C)C2CC2)ccc1F ZINC000671766434 1118358993 /nfs/dbraw/zinc/35/89/93/1118358993.db2.gz YSCMYNOOBZDGSE-BLLLJJGKSA-N 0 1 287.382 3.670 20 0 CHADMN CCc1c(NC(=O)C2CCCCC2)[nH]nc1-c1ccncc1 ZINC000068964928 1118366745 /nfs/dbraw/zinc/36/67/45/1118366745.db2.gz FRSKYTCVFWLXAY-UHFFFAOYSA-N 0 1 298.390 3.553 20 0 CHADMN COc1cc2c(cc1CN[C@@H](C)c1ccccc1)O[C@H](C)C2 ZINC000070982137 1118373004 /nfs/dbraw/zinc/37/30/04/1118373004.db2.gz SPFWCAOYUMLVIG-KGLIPLIRSA-N 0 1 297.398 3.869 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1ccsc1Br ZINC000706443885 1118373524 /nfs/dbraw/zinc/37/35/24/1118373524.db2.gz QWSWAQFKHFTHFS-IUCAKERBSA-N 0 1 274.227 3.883 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)N(C)CC(C)C)n1 ZINC000072515536 1118373820 /nfs/dbraw/zinc/37/38/20/1118373820.db2.gz MBYJSOVLLANOLN-CYBMUJFWSA-N 0 1 273.380 3.694 20 0 CHADMN CC[C@@H](C)N(C)Cc1coc(-c2ccc(C)cc2)n1 ZINC000072601558 1118375043 /nfs/dbraw/zinc/37/50/43/1118375043.db2.gz UFOMTZSDCCJSGJ-CYBMUJFWSA-N 0 1 258.365 3.880 20 0 CHADMN CC[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)CCC=C(C)C ZINC001258099012 1128773332 /nfs/dbraw/zinc/77/33/32/1128773332.db2.gz HALRWYYXMHTUHE-AWEZNQCLSA-N 0 1 269.429 3.785 20 0 CHADMN CCN(CC(=O)OC(C)(C)C)[C@@H](C)CCC=C(C)C ZINC001258099012 1128773335 /nfs/dbraw/zinc/77/33/35/1128773335.db2.gz HALRWYYXMHTUHE-AWEZNQCLSA-N 0 1 269.429 3.785 20 0 CHADMN CC[C@H](C)[C@H](C)N(CC(=O)c1ccccc1F)C1CC1 ZINC001167357093 1118385675 /nfs/dbraw/zinc/38/56/75/1118385675.db2.gz QVGMBQYNQPGHRU-STQMWFEESA-N 0 1 277.383 3.907 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3cnccc3c2)o1 ZINC000683822829 1118389106 /nfs/dbraw/zinc/38/91/06/1118389106.db2.gz OZSSNCLJZSYAAZ-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN C[C@@H](N[C@@H]1CCC1(C)C)c1nnc(-c2ccccc2)o1 ZINC000580230698 1118405806 /nfs/dbraw/zinc/40/58/06/1118405806.db2.gz ZWKLTDAEDXHJTI-DGCLKSJQSA-N 0 1 271.364 3.576 20 0 CHADMN C[C@@H](C1CC1)N1CCc2cccc(Br)c2C1 ZINC000782182102 1118447578 /nfs/dbraw/zinc/44/75/78/1118447578.db2.gz SFMMZJZOBMEDRM-JTQLQIEISA-N 0 1 280.209 3.606 20 0 CHADMN Cc1ccc2nc(N)n(-c3cc(F)c(Cl)c(F)c3)c2c1 ZINC001210842000 1118407218 /nfs/dbraw/zinc/40/72/18/1118407218.db2.gz YVPYHPXYXMEDQE-UHFFFAOYSA-N 0 1 293.704 3.848 20 0 CHADMN Cc1cccc2c1CCN2C(=O)c1ccc(Cl)cc1O ZINC000125845149 1118415342 /nfs/dbraw/zinc/41/53/42/1118415342.db2.gz VIDNOALJTWBZSP-UHFFFAOYSA-N 0 1 287.746 3.557 20 0 CHADMN CC1(C)C[C@]1(C)NCc1cc(F)ccc1Br ZINC000706511289 1118419275 /nfs/dbraw/zinc/41/92/75/1118419275.db2.gz HYQLNTCLNIYSFY-ZDUSSCGKSA-N 0 1 286.188 3.866 20 0 CHADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@@H+](C)CC1CCCCC1 ZINC000580319544 1118420990 /nfs/dbraw/zinc/42/09/90/1118420990.db2.gz PAUUGXKBNQSORX-INIZCTEOSA-N 0 1 275.392 3.633 20 0 CHADMN CC(=Nc1cccc(Cl)c1CO)c1ccccc1 ZINC001210989155 1118435189 /nfs/dbraw/zinc/43/51/89/1118435189.db2.gz HBAONOOOFWWWFE-UHFFFAOYSA-N 0 1 259.736 3.915 20 0 CHADMN Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccc[nH]c1=O ZINC000624258265 1118441404 /nfs/dbraw/zinc/44/14/04/1118441404.db2.gz FDGYGCCUHPQUGU-SNVBAGLBSA-N 0 1 291.420 3.526 20 0 CHADMN Cc1cc(CNc2nc3cc(Cl)cc(Cl)c3o2)n[nH]1 ZINC000683932788 1118451473 /nfs/dbraw/zinc/45/14/73/1118451473.db2.gz NOHIXFQOAKVYLC-UHFFFAOYSA-N 0 1 297.145 3.778 20 0 CHADMN CC[C@@H](C)c1cccc(NC(=O)NCc2cc(C)[nH]n2)c1 ZINC000626651867 1128779038 /nfs/dbraw/zinc/77/90/38/1128779038.db2.gz ZTTOHGJVNNAJNX-LLVKDONJSA-N 0 1 286.379 3.553 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](CO)c2ccsc2)c(C)s1 ZINC000349328260 1118465691 /nfs/dbraw/zinc/46/56/91/1118465691.db2.gz XWMDJWQCNCEWBV-HZMBPMFUSA-N 0 1 281.446 3.811 20 0 CHADMN O=C(Nc1ccc(F)c(F)c1O)C1CCC2(CC2)CC1 ZINC000616194781 1128780821 /nfs/dbraw/zinc/78/08/21/1128780821.db2.gz AQCNGVXTULHTFM-UHFFFAOYSA-N 0 1 281.302 3.579 20 0 CHADMN Cn1cncc1Nc1cccc(Cc2ccccc2)c1 ZINC001211248558 1118487362 /nfs/dbraw/zinc/48/73/62/1118487362.db2.gz OKUQAACGHLGBRO-UHFFFAOYSA-N 0 1 263.344 3.755 20 0 CHADMN CO[C@@H]1CCC[C@@H]1N[C@H](c1ccco1)c1ccccc1 ZINC000050369623 1118487790 /nfs/dbraw/zinc/48/77/90/1118487790.db2.gz IRTJNFSXURFCBL-UXLLHSPISA-N 0 1 271.360 3.526 20 0 CHADMN CN1CCN(Cc2cc3ccccc3[nH]2)Cc2ccccc21 ZINC000684021995 1118489684 /nfs/dbraw/zinc/48/96/84/1118489684.db2.gz ATRUZUXWGKIVPA-UHFFFAOYSA-N 0 1 291.398 3.620 20 0 CHADMN FC(F)(F)C1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000684020439 1118489773 /nfs/dbraw/zinc/48/97/73/1118489773.db2.gz YXNGIIFNMGEGGG-UHFFFAOYSA-N 0 1 282.309 3.942 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000580720187 1118495074 /nfs/dbraw/zinc/49/50/74/1118495074.db2.gz HUGRRFDUVBCLMR-MNOVXSKESA-N 0 1 295.345 3.540 20 0 CHADMN CC(C)C1CC(N[C@H](c2nccn2C)c2ccccc2)C1 ZINC000580750121 1118500645 /nfs/dbraw/zinc/50/06/45/1118500645.db2.gz KRPYYIFUVBIOJY-JCYILVPMSA-N 0 1 283.419 3.534 20 0 CHADMN CCc1noc(CC)c1CNCc1ccc(SC)s1 ZINC000580766694 1118502276 /nfs/dbraw/zinc/50/22/76/1118502276.db2.gz DZRQALBVSVAFQU-UHFFFAOYSA-N 0 1 296.461 3.873 20 0 CHADMN COc1c(F)cc(F)cc1-c1cc(F)c(O)cc1F ZINC001211339090 1118506393 /nfs/dbraw/zinc/50/63/93/1118506393.db2.gz LBBBPGYUIIOPJX-UHFFFAOYSA-N 0 1 272.197 3.624 20 0 CHADMN Cc1nc2c(cccc2-c2cc(F)c(O)cc2F)[nH]1 ZINC001211351780 1118507008 /nfs/dbraw/zinc/50/70/08/1118507008.db2.gz CJBYOFPLHKXXDW-UHFFFAOYSA-N 0 1 260.243 3.522 20 0 CHADMN [O-]c1cc(F)c(-c2ccc([C@H]3CCC[NH2+]C3)cc2)cc1F ZINC001211351799 1118507195 /nfs/dbraw/zinc/50/71/95/1118507195.db2.gz CNSVWTDSBSJCKW-ZDUSSCGKSA-N 0 1 289.325 3.804 20 0 CHADMN Fc1ccc(-c2nc(CN3CCCCCC3)co2)cc1 ZINC000073878620 1118508800 /nfs/dbraw/zinc/50/88/00/1118508800.db2.gz TXZQSZJXEFZQDO-UHFFFAOYSA-N 0 1 274.339 3.857 20 0 CHADMN CCCCOCCSc1nnc(CCC2CCCC2)[nH]1 ZINC000077432550 1118508889 /nfs/dbraw/zinc/50/88/89/1118508889.db2.gz RMWQUWAMWTYVOS-UHFFFAOYSA-N 0 1 297.468 3.836 20 0 CHADMN CCCCOCCSc1nc(CCC2CCCC2)n[nH]1 ZINC000077432550 1118508890 /nfs/dbraw/zinc/50/88/90/1118508890.db2.gz RMWQUWAMWTYVOS-UHFFFAOYSA-N 0 1 297.468 3.836 20 0 CHADMN CC1(C)CN(C(=O)c2cc(Cl)c3ccccc3c2O)C1 ZINC000684083524 1118509710 /nfs/dbraw/zinc/50/97/10/1118509710.db2.gz UZISTLYGWIJDBM-UHFFFAOYSA-N 0 1 289.762 3.681 20 0 CHADMN CCc1ccc([C@@H]2CCCCCN2Cc2cnccn2)o1 ZINC000580878732 1118515613 /nfs/dbraw/zinc/51/56/13/1118515613.db2.gz OMFKHIDDMPUNTK-INIZCTEOSA-N 0 1 285.391 3.749 20 0 CHADMN CCN(Cc1cccnc1)Cc1cc(C)c(F)c(C)c1 ZINC001143381496 1118516711 /nfs/dbraw/zinc/51/67/11/1118516711.db2.gz DGLWZCYBAIIASS-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN C[C@@H]1CC[N@@H+](C/C=C/c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000580899024 1118518438 /nfs/dbraw/zinc/51/84/38/1118518438.db2.gz XSHYDKHISYIFMA-RDYIKARRSA-N 0 1 293.794 3.538 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](C)c2ccc3c(c2)OCO3)o1 ZINC000127339217 1118518788 /nfs/dbraw/zinc/51/87/88/1118518788.db2.gz FGCISQIBNYIYNE-NWDGAFQWSA-N 0 1 287.359 3.983 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccc(C)s2)nc1 ZINC000386243269 1118525272 /nfs/dbraw/zinc/52/52/72/1118525272.db2.gz RLUQTUZQYLALAN-LBPRGKRZSA-N 0 1 260.406 3.865 20 0 CHADMN Cc1ccc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1F ZINC000580994268 1118532758 /nfs/dbraw/zinc/53/27/58/1118532758.db2.gz KONGLQKPICJATQ-CVEARBPZSA-N 0 1 277.383 3.524 20 0 CHADMN Cc1cc(OCc2ncc(Cl)cc2Cl)cc(C)n1 ZINC000128124197 1118537546 /nfs/dbraw/zinc/53/75/46/1118537546.db2.gz MMWMQQDUEIBRCY-UHFFFAOYSA-N 0 1 283.158 3.979 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(Cl)cn2)c(C)c1 ZINC000548153835 1118537852 /nfs/dbraw/zinc/53/78/52/1118537852.db2.gz RQBSFISAZUONFN-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1cc(OCc2ncc(C(C)(C)C)o2)cc(C)n1 ZINC000128164412 1118538687 /nfs/dbraw/zinc/53/86/87/1118538687.db2.gz XZROFNFOSGHBBY-UHFFFAOYSA-N 0 1 260.337 3.563 20 0 CHADMN Cc1ccc2n[nH]c(C[N@H+]3CCCC[C@@](C)(F)C3)c2c1 ZINC001140329501 1118538212 /nfs/dbraw/zinc/53/82/12/1118538212.db2.gz YWPGLVUSJFYAJH-MRXNPFEDSA-N 0 1 275.371 3.585 20 0 CHADMN CCc1cccc(C)c1NC(=O)COc1cc(C)nc(C)c1 ZINC000128208846 1118540247 /nfs/dbraw/zinc/54/02/47/1118540247.db2.gz JHSLAGCRJFYOPY-UHFFFAOYSA-N 0 1 298.386 3.587 20 0 CHADMN c1coc(CN(Cc2ccccc2)C[C@H]2CCCCO2)c1 ZINC000042367014 1118540929 /nfs/dbraw/zinc/54/09/29/1118540929.db2.gz UFILGTPRDVMNCP-QGZVFWFLSA-N 0 1 285.387 3.851 20 0 CHADMN CC(F)(F)CCC[NH2+]Cc1cccc([O-])c1Cl ZINC000295952116 1118552558 /nfs/dbraw/zinc/55/25/58/1118552558.db2.gz HDPIBELINNUMCD-UHFFFAOYSA-N 0 1 263.715 3.571 20 0 CHADMN C=CC[C@H](C(=O)NOCc1ccc(F)cc1)c1ccccc1 ZINC000188111287 1118555164 /nfs/dbraw/zinc/55/51/64/1118555164.db2.gz XBKRUMZEDMPHFE-KRWDZBQOSA-N 0 1 299.345 3.733 20 0 CHADMN O=S(=O)(Nc1cccc(-c2ccccc2)c1)c1ccoc1 ZINC000340965062 1118562517 /nfs/dbraw/zinc/56/25/17/1118562517.db2.gz HQQRFLPYRBBZSZ-UHFFFAOYSA-N 0 1 299.351 3.747 20 0 CHADMN Cc1cc2[nH]c([C@@H]3CCc4ccccc4C3)nc(=O)c2s1 ZINC000656490396 1118564752 /nfs/dbraw/zinc/56/47/52/1118564752.db2.gz CBTGVJPCHHZQLU-CYBMUJFWSA-N 0 1 296.395 3.978 20 0 CHADMN Cc1nc(CNC2CC(C(C)(C)C)C2)nc2ccccc12 ZINC000656494899 1118566202 /nfs/dbraw/zinc/56/62/02/1118566202.db2.gz YPDHEKUGUDZIMO-UHFFFAOYSA-N 0 1 283.419 3.853 20 0 CHADMN Cc1cc(C)c(CNCc2ccc3c(n2)CCC3)c(C)c1 ZINC000656493970 1118566468 /nfs/dbraw/zinc/56/64/68/1118566468.db2.gz UJMIPZAWRSCXRA-UHFFFAOYSA-N 0 1 280.415 3.785 20 0 CHADMN Cc1cc(F)c(CN2CCC([C@H]3CCOC3)CC2)c(F)c1 ZINC000644902063 1118568847 /nfs/dbraw/zinc/56/88/47/1118568847.db2.gz AJAZTIMCJHKSBF-AWEZNQCLSA-N 0 1 295.373 3.522 20 0 CHADMN Cc1ncc(C(=O)N(C)[C@H]2CCCC[C@H]2c2ccccc2)[nH]1 ZINC000616328320 1128786407 /nfs/dbraw/zinc/78/64/07/1128786407.db2.gz JMJXTXMWIZRXBD-RDJZCZTQSA-N 0 1 297.402 3.517 20 0 CHADMN COc1cc(Nc2ccc(C)c3[nH]ncc32)ccc1F ZINC001215757678 1118576782 /nfs/dbraw/zinc/57/67/82/1118576782.db2.gz VYTUSMAOVWTKJK-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NCC1(CC(C)C)CCC1 ZINC000153835123 1118582734 /nfs/dbraw/zinc/58/27/34/1118582734.db2.gz PFLOSVIGIFAWNX-UHFFFAOYSA-N 0 1 291.439 3.788 20 0 CHADMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc2c(n1)CCC2 ZINC000656535150 1118585609 /nfs/dbraw/zinc/58/56/09/1118585609.db2.gz GCZWNHCLRBNIFY-DGCLKSJQSA-N 0 1 298.352 3.733 20 0 CHADMN Cc1cnc(CN[C@@H](CC(C)C)c2ccccc2C)n1C ZINC000341020404 1118587273 /nfs/dbraw/zinc/58/72/73/1118587273.db2.gz VXMAPOBBEHEIED-KRWDZBQOSA-N 0 1 285.435 3.914 20 0 CHADMN Cc1cc(CN[C@H](CC(C)C)c2ccccc2)nn1C ZINC000341057277 1118598292 /nfs/dbraw/zinc/59/82/92/1118598292.db2.gz KDTFTINWKDWCPJ-QGZVFWFLSA-N 0 1 271.408 3.606 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cnn(CC(C)C)c2)o1 ZINC000341151093 1118607530 /nfs/dbraw/zinc/60/75/30/1118607530.db2.gz HROYAZVFZMUMQO-INIZCTEOSA-N 0 1 287.407 3.778 20 0 CHADMN C[C@@H](NC/C=C\Cl)c1ccc(Br)s1 ZINC000308222023 1118609476 /nfs/dbraw/zinc/60/94/76/1118609476.db2.gz CNAMSBIUVHCZCI-BIPIGHIPSA-N 0 1 280.618 3.914 20 0 CHADMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2F)C1(C)C ZINC001167468313 1118612711 /nfs/dbraw/zinc/61/27/11/1118612711.db2.gz QOIYWGYEKMVBEI-HUUCEWRRSA-N 0 1 283.362 3.600 20 0 CHADMN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(F)cc2F)C1(C)C ZINC001167468313 1118612713 /nfs/dbraw/zinc/61/27/13/1118612713.db2.gz QOIYWGYEKMVBEI-HUUCEWRRSA-N 0 1 283.362 3.600 20 0 CHADMN FC(F)C1(NC[C@@H]2C[C@H]2c2ccccc2)CCCC1 ZINC000656626500 1118613255 /nfs/dbraw/zinc/61/32/55/1118613255.db2.gz COLWYGNRIHDRGI-KBPBESRZSA-N 0 1 265.347 3.958 20 0 CHADMN COC[C@@H](N[C@H](C)c1c(F)cccc1Cl)C1CC1 ZINC000090180261 1118622804 /nfs/dbraw/zinc/62/28/04/1118622804.db2.gz CKAHXIJFVYIBLY-NOZJJQNGSA-N 0 1 271.763 3.555 20 0 CHADMN FC(F)(F)c1ccc(CC2CN(CC3(F)CC3)C2)cc1 ZINC000656656657 1118623773 /nfs/dbraw/zinc/62/37/73/1118623773.db2.gz YYQYYWYOHMHESF-UHFFFAOYSA-N 0 1 287.300 3.682 20 0 CHADMN CCCCOc1ccccc1CN1CC2(CC(F)C2)C1 ZINC000656695539 1118638597 /nfs/dbraw/zinc/63/85/97/1118638597.db2.gz KCOPFJAMVLIVOT-UHFFFAOYSA-N 0 1 277.383 3.799 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@H](C)c1cnc(C)s1 ZINC000090400028 1118641737 /nfs/dbraw/zinc/64/17/37/1118641737.db2.gz XDZOQTNUCKMFJN-GHMZBOCLSA-N 0 1 276.405 3.872 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccc(C)c(F)c2)s1 ZINC000090400983 1118645692 /nfs/dbraw/zinc/64/56/92/1118645692.db2.gz XTZZYQPCWWQAIQ-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN Cc1cnc(CN[C@@H](CC2CCC2)c2ccccc2)n1C ZINC000341272124 1118647068 /nfs/dbraw/zinc/64/70/68/1118647068.db2.gz COIMYAKNKDSCLT-KRWDZBQOSA-N 0 1 283.419 3.750 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cnc2ccccc2c1 ZINC000313436312 1118647627 /nfs/dbraw/zinc/64/76/27/1118647627.db2.gz LKJFMFWPPIIZMH-NSHDSACASA-N 0 1 281.359 3.690 20 0 CHADMN Cc1cnc([C@@H](C)CN[C@H]2CCCc3oc(C)nc32)s1 ZINC000926160014 1118649471 /nfs/dbraw/zinc/64/94/71/1118649471.db2.gz WKWYEXQKHBHLSI-CABZTGNLSA-N 0 1 291.420 3.519 20 0 CHADMN CC[C@H](C)[N@@H+](CC)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000656757957 1118650406 /nfs/dbraw/zinc/65/04/06/1118650406.db2.gz XEWCGRZCEWTFKL-JTQLQIEISA-N 0 1 269.772 3.659 20 0 CHADMN Cc1cc([C@@H](C)[N@H+]2CCc3ccc(C)cc3C2)oc1C(=O)[O-] ZINC000656759070 1118650587 /nfs/dbraw/zinc/65/05/87/1118650587.db2.gz VWWMZKJIPDQAGE-CYBMUJFWSA-N 0 1 299.370 3.714 20 0 CHADMN CC(C)(C)CCC[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000656765333 1118652423 /nfs/dbraw/zinc/65/24/23/1118652423.db2.gz KGGCDRBYZPYTAQ-ILXRZTDVSA-N 0 1 281.440 3.778 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000656763876 1118652637 /nfs/dbraw/zinc/65/26/37/1118652637.db2.gz SJWSAUFPNSGSCC-UHFFFAOYSA-N 0 1 293.382 3.926 20 0 CHADMN CC1(C)CC[N@@H+](Cc2occc2C(=O)[O-])CC(C)(C)C1 ZINC000656769376 1118653323 /nfs/dbraw/zinc/65/33/23/1118653323.db2.gz YRXIDOFGIVBBLU-UHFFFAOYSA-N 0 1 279.380 3.626 20 0 CHADMN CC[C@H]1CCCCN1Cc1nc(C(C)(C)C)co1 ZINC000891445551 1118661193 /nfs/dbraw/zinc/66/11/93/1118661193.db2.gz WOZKGEWFQXOMMN-LBPRGKRZSA-N 0 1 250.386 3.737 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000341339504 1118668288 /nfs/dbraw/zinc/66/82/88/1118668288.db2.gz FBUYZCYCUGFZGP-UHFFFAOYSA-N 0 1 299.374 3.682 20 0 CHADMN COCC1(NCc2cc(C(F)(F)F)ccc2F)CCC1 ZINC000341367094 1118676514 /nfs/dbraw/zinc/67/65/14/1118676514.db2.gz XPRWGXHTBYJOGP-UHFFFAOYSA-N 0 1 291.288 3.503 20 0 CHADMN CCN(Cc1cnn(C2CCC2)c1)Cc1ccccc1 ZINC000891449963 1118678956 /nfs/dbraw/zinc/67/89/56/1118678956.db2.gz DSSBNPOMCGYALO-UHFFFAOYSA-N 0 1 269.392 3.630 20 0 CHADMN Cc1cc(C)c(Cl)c(-c2nccc3c2CCN3)c1 ZINC001236548491 1128793859 /nfs/dbraw/zinc/79/38/59/1128793859.db2.gz QTSZAIQBEXLSDF-UHFFFAOYSA-N 0 1 258.752 3.987 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cc2ccccc2[nH]1 ZINC000684410880 1118686075 /nfs/dbraw/zinc/68/60/75/1118686075.db2.gz BWTCVKMEGUWDQI-MFKMUULPSA-N 0 1 282.309 3.941 20 0 CHADMN Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C)nc1Cl ZINC001167482371 1118692589 /nfs/dbraw/zinc/69/25/89/1118692589.db2.gz JUAWNIKZZPQXBF-CMPLNLGQSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1ccc(CN2CCC[C@H](C)[C@H]2C)nc1Cl ZINC001167482371 1118692592 /nfs/dbraw/zinc/69/25/92/1118692592.db2.gz JUAWNIKZZPQXBF-CMPLNLGQSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H]2CCc3c2cccc3F)s1 ZINC000090406005 1118695891 /nfs/dbraw/zinc/69/58/91/1118695891.db2.gz ICZIRGUCPBATMI-OTYXRUKQSA-N 0 1 276.380 3.929 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1ccnn1C1CCC1 ZINC000891502895 1118696639 /nfs/dbraw/zinc/69/66/39/1118696639.db2.gz CEYHBDJSYYXZBS-AWEZNQCLSA-N 0 1 269.392 3.801 20 0 CHADMN CCN(Cc1cnn(C2CCC2)c1)Cc1cccs1 ZINC000891510007 1118698601 /nfs/dbraw/zinc/69/86/01/1118698601.db2.gz BMKZHVNVQPPDGY-UHFFFAOYSA-N 0 1 275.421 3.692 20 0 CHADMN CC(=O)c1cc(F)c(NC(=O)c2sccc2F)c(F)c1 ZINC001266827640 1118709917 /nfs/dbraw/zinc/70/99/17/1118709917.db2.gz OTDWYIXTVAJCDH-UHFFFAOYSA-N 0 1 299.273 3.620 20 0 CHADMN CCC(CC)[C@@H](C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000341457092 1118710686 /nfs/dbraw/zinc/71/06/86/1118710686.db2.gz PAVVLWIZFRBRIO-DOMZBBRYSA-N 0 1 296.480 3.539 20 0 CHADMN C[C@@H]1c2ccsc2CCN1C[C@H](O)c1cccc(F)c1 ZINC000051261892 1118711343 /nfs/dbraw/zinc/71/13/43/1118711343.db2.gz UGOJFUZBIIPGJO-ABAIWWIYSA-N 0 1 291.391 3.540 20 0 CHADMN CN(C)Cc1cc(NCc2cncc(F)c2)ccc1Cl ZINC000341470867 1118715856 /nfs/dbraw/zinc/71/58/56/1118715856.db2.gz BRDUQHHOCNPAJP-UHFFFAOYSA-N 0 1 293.773 3.548 20 0 CHADMN COC(=O)c1ccc(CN[C@H](C)c2ccsc2)cc1F ZINC000234598141 1118720454 /nfs/dbraw/zinc/72/04/54/1118720454.db2.gz RBIHSYVLWIKNFB-SNVBAGLBSA-N 0 1 293.363 3.525 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1Cc1nccn1C1CC1 ZINC000891618093 1118721749 /nfs/dbraw/zinc/72/17/49/1118721749.db2.gz NGKJMLLZNXFDIR-QGZVFWFLSA-N 0 1 281.403 3.864 20 0 CHADMN CCn1cc(CN2CCC[C@@H]2c2ccsc2)c(C)n1 ZINC000891616796 1118722076 /nfs/dbraw/zinc/72/20/76/1118722076.db2.gz AMAGQTFMIMLBRV-OAHLLOKOSA-N 0 1 275.421 3.610 20 0 CHADMN Cn1cc(CN2CCC[C@@H]2c2cccc(F)c2)c(C2CC2)n1 ZINC000891618681 1118722904 /nfs/dbraw/zinc/72/29/04/1118722904.db2.gz TYNSULICWQTVOR-QGZVFWFLSA-N 0 1 299.393 3.774 20 0 CHADMN CC(C)N(Cc1cccs1)Cc1cn(C)nc1C1CC1 ZINC000891627473 1118725603 /nfs/dbraw/zinc/72/56/03/1118725603.db2.gz YIHAQPSNOGUFNI-UHFFFAOYSA-N 0 1 289.448 3.770 20 0 CHADMN Cc1ccsc1CN(C)Cc1cnc2ccc(C)cn12 ZINC000349543875 1118727263 /nfs/dbraw/zinc/72/72/63/1118727263.db2.gz IJVRHOAECSGFTL-UHFFFAOYSA-N 0 1 285.416 3.645 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2cccs2)cnc1F ZINC000891640057 1118728012 /nfs/dbraw/zinc/72/80/12/1118728012.db2.gz MDMILQPMZSVODD-NSHDSACASA-N 0 1 264.369 3.784 20 0 CHADMN Cc1c(Br)cccc1CNCc1ccco1 ZINC000083890975 1118731991 /nfs/dbraw/zinc/73/19/91/1118731991.db2.gz LAPHBEWRORNRET-UHFFFAOYSA-N 0 1 280.165 3.640 20 0 CHADMN Cc1cccc(CN[C@H]2CSc3ccccc32)c1 ZINC000083748678 1118732181 /nfs/dbraw/zinc/73/21/81/1118732181.db2.gz YKFBKRIDVWFNBO-HNNXBMFYSA-N 0 1 255.386 3.932 20 0 CHADMN Cc1[nH]ncc1CNc1cccc(OCC(F)(F)F)c1C ZINC000128970253 1118733936 /nfs/dbraw/zinc/73/39/36/1118733936.db2.gz SLICGVGOKWXPJI-UHFFFAOYSA-N 0 1 299.296 3.580 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cccc3cccnc31)CO2 ZINC000341549167 1118736364 /nfs/dbraw/zinc/73/63/64/1118736364.db2.gz VTMFAMHXHJKWCZ-INIZCTEOSA-N 0 1 294.329 3.597 20 0 CHADMN Cc1nc(CN2CCC[C@H]2c2ccccc2C)[nH]c1C ZINC000628134953 1118741110 /nfs/dbraw/zinc/74/11/10/1118741110.db2.gz IULVIRUSNZAFBI-INIZCTEOSA-N 0 1 269.392 3.672 20 0 CHADMN CC[C@]1(C)CCCN(Cc2nc3cccnc3s2)C1 ZINC000341579497 1118745594 /nfs/dbraw/zinc/74/55/94/1118745594.db2.gz VYEHNICLOLGQLR-OAHLLOKOSA-N 0 1 275.421 3.703 20 0 CHADMN CCN(Cc1cn(C)nc1C1CC1)[C@H](C)c1cccc(O)c1 ZINC000891714334 1118750068 /nfs/dbraw/zinc/75/00/68/1118750068.db2.gz WVWKQVFQTCPFHQ-CYBMUJFWSA-N 0 1 299.418 3.586 20 0 CHADMN COc1ccc(CN2CCC[C@H]2c2cc(C)no2)c(C)c1 ZINC000891718403 1118750909 /nfs/dbraw/zinc/75/09/09/1118750909.db2.gz LTAYWQGCUVLFPR-INIZCTEOSA-N 0 1 286.375 3.637 20 0 CHADMN C(=C/c1ccccc1)\CNCc1ccn(C2CCCC2)n1 ZINC000129073309 1118755875 /nfs/dbraw/zinc/75/58/75/1118755875.db2.gz AKTLQSCNOGKVKI-RMKNXTFCSA-N 0 1 281.403 3.801 20 0 CHADMN O=c1cc(C2CCCC2)[nH]n1Cc1cccc(Cl)c1 ZINC000132883491 1118759694 /nfs/dbraw/zinc/75/96/94/1118759694.db2.gz FXDSAYPTNQBLBS-UHFFFAOYSA-N 0 1 276.767 3.948 20 0 CHADMN Cc1cc(CN[C@H]2c3ccc(F)cc3O[C@H]2C)cs1 ZINC000449332343 1118772132 /nfs/dbraw/zinc/77/21/32/1118772132.db2.gz RFEGOWFVYXKBRX-ZUZCIYMTSA-N 0 1 277.364 3.807 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@H](C)c2cncs2)s1 ZINC000129256791 1118773722 /nfs/dbraw/zinc/77/37/22/1118773722.db2.gz OCICUFFDEIVOOU-HTQZYQBOSA-N 0 1 267.423 3.628 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(Cl)o2)cc1 ZINC000088218673 1118773772 /nfs/dbraw/zinc/77/37/72/1118773772.db2.gz RWDWZVWTHCVEIS-SNVBAGLBSA-N 0 1 265.740 3.792 20 0 CHADMN Oc1ccc([C@@H]2CCCN2Cc2ccnn2C2CCC2)cc1 ZINC000891795671 1118778402 /nfs/dbraw/zinc/77/84/02/1118778402.db2.gz AACXNZOBSLHKNV-SFHVURJKSA-N 0 1 297.402 3.651 20 0 CHADMN COc1ccc2cc(C[N@H+]3CCO[C@H]4CCC[C@@H]43)ccc2c1 ZINC000510643226 1118780467 /nfs/dbraw/zinc/78/04/67/1118780467.db2.gz FFMKAEMFZRTVHP-OALUTQOASA-N 0 1 297.398 3.602 20 0 CHADMN COc1ccc2cc(CN3CCO[C@H]4CCC[C@@H]43)ccc2c1 ZINC000510643226 1118780470 /nfs/dbraw/zinc/78/04/70/1118780470.db2.gz FFMKAEMFZRTVHP-OALUTQOASA-N 0 1 297.398 3.602 20 0 CHADMN C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCO[C@H]3CCC[C@H]32)C1 ZINC000430873039 1118780933 /nfs/dbraw/zinc/78/09/33/1118780933.db2.gz OLAIMGPVOLSUDI-YRXWBPOGSA-N 0 1 285.431 3.750 20 0 CHADMN C[C@]1(c2ccccc2)CC[C@@H](N2CCO[C@H]3CCC[C@H]32)C1 ZINC000430873039 1118780936 /nfs/dbraw/zinc/78/09/36/1118780936.db2.gz OLAIMGPVOLSUDI-YRXWBPOGSA-N 0 1 285.431 3.750 20 0 CHADMN COc1ccc(OC(F)F)c(CN2CC(C)=C[C@H](C)C2)c1 ZINC000430882982 1118783503 /nfs/dbraw/zinc/78/35/03/1118783503.db2.gz NYUKVUWSKVPGHU-NSHDSACASA-N 0 1 297.345 3.695 20 0 CHADMN c1c2ccccc2sc1CN1CCO[C@H]2CCC[C@@H]21 ZINC000510657108 1118784362 /nfs/dbraw/zinc/78/43/62/1118784362.db2.gz JJKUQBHLXUQNQX-GJZGRUSLSA-N 0 1 273.401 3.655 20 0 CHADMN Cc1ccoc1CN[C@@H](C)c1cc2c(s1)CCC2 ZINC000426335331 1118784398 /nfs/dbraw/zinc/78/43/98/1118784398.db2.gz OXSSKFIZEHXUMZ-NSHDSACASA-N 0 1 261.390 3.989 20 0 CHADMN CCCn1c2ccccc2nc1CN(C)CC(C)(C)C ZINC000510692408 1118787488 /nfs/dbraw/zinc/78/74/88/1118787488.db2.gz CEXNMBYMSIPNHT-UHFFFAOYSA-N 0 1 273.424 3.924 20 0 CHADMN CC[C@H](N[C@H](C)CCc1ccc(F)cc1)C(F)F ZINC000449361128 1118795068 /nfs/dbraw/zinc/79/50/68/1118795068.db2.gz KOFJAOHLVVVCSJ-MFKMUULPSA-N 0 1 259.315 3.780 20 0 CHADMN CC[C@@H](NC[C@H](C)Cc1ccc(OC)c(F)c1)C(F)F ZINC000449363256 1118795750 /nfs/dbraw/zinc/79/57/50/1118795750.db2.gz OXYMZGGCFARNAD-ZWNOBZJWSA-N 0 1 289.341 3.646 20 0 CHADMN C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H](C(F)(F)F)O1 ZINC001167493363 1118798566 /nfs/dbraw/zinc/79/85/66/1118798566.db2.gz YGBXCAHZJHDRDJ-DGCLKSJQSA-N 0 1 279.346 3.608 20 0 CHADMN C[C@@H]1CN(CC2CCCCCC2)C[C@H](C(F)(F)F)O1 ZINC001167493363 1118798568 /nfs/dbraw/zinc/79/85/68/1118798568.db2.gz YGBXCAHZJHDRDJ-DGCLKSJQSA-N 0 1 279.346 3.608 20 0 CHADMN CC(C)c1ccc(NC(=O)c2cccc3cn[nH]c32)cc1 ZINC000037151102 1118815813 /nfs/dbraw/zinc/81/58/13/1118815813.db2.gz PKJVVTMRSUTJEY-UHFFFAOYSA-N 0 1 279.343 3.939 20 0 CHADMN COc1ccc(F)c(F)c1CN1CCC[C@@H](C)[C@H]1C ZINC001143411968 1118821382 /nfs/dbraw/zinc/82/13/82/1118821382.db2.gz BOPAZJCLDLLUPR-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN CC(C)COc1cccc(CN[C@@H]2CCCc3c[nH]nc32)c1 ZINC000510841533 1118829006 /nfs/dbraw/zinc/82/90/06/1118829006.db2.gz KXIWCJJPPUVWEC-QGZVFWFLSA-N 0 1 299.418 3.612 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H](C)Cc3ccccc3)ccc12 ZINC000091825854 1118834730 /nfs/dbraw/zinc/83/47/30/1118834730.db2.gz PTMPCQUEIYQNTK-GFCCVEGCSA-N 0 1 293.370 3.689 20 0 CHADMN Clc1cnc(CN[C@H]2C[C@@H]2Cc2ccccc2)s1 ZINC000349619277 1118843210 /nfs/dbraw/zinc/84/32/10/1118843210.db2.gz ZICKCKKXCYINIE-RYUDHWBXSA-N 0 1 278.808 3.517 20 0 CHADMN [O-]c1cccc2c(N3CCC[C@@H]3c3cccnc3)cc[nH+]c12 ZINC000684565691 1118846674 /nfs/dbraw/zinc/84/66/74/1118846674.db2.gz HWIHXRUEXNBGDL-OAHLLOKOSA-N 0 1 291.354 3.677 20 0 CHADMN C[C@@H](NCC[C@@H]1C[C@@H](C)CC(C)(C)C1)c1cc(CO)on1 ZINC000926292294 1118848336 /nfs/dbraw/zinc/84/83/36/1118848336.db2.gz YWFDBLIQNCIPRF-MGPQQGTHSA-N 0 1 294.439 3.670 20 0 CHADMN CCc1nc(CN(C)c2cc[nH+]c3c([O-])cccc23)cs1 ZINC000684570014 1118853218 /nfs/dbraw/zinc/85/32/18/1118853218.db2.gz MBBNTGRVTIVRQC-UHFFFAOYSA-N 0 1 299.399 3.596 20 0 CHADMN COc1ccc2cc(CNCc3cncs3)ccc2c1 ZINC000133043294 1118858075 /nfs/dbraw/zinc/85/80/75/1118858075.db2.gz DWBXSADNVNKILV-UHFFFAOYSA-N 0 1 284.384 3.595 20 0 CHADMN [O-]c1cccc2c(NCCOCc3ccccc3)cc[nH+]c12 ZINC000684574144 1118859757 /nfs/dbraw/zinc/85/97/57/1118859757.db2.gz GGECKUFQKKNLND-UHFFFAOYSA-N 0 1 294.354 3.569 20 0 CHADMN CC[C@@]1(C)CCN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC000684575343 1118860353 /nfs/dbraw/zinc/86/03/53/1118860353.db2.gz IKERRQPWIMFOIJ-INIZCTEOSA-N 0 1 256.349 3.567 20 0 CHADMN Cc1nc(CCNc2cc[nH+]c3c([O-])cccc23)sc1C ZINC000684578565 1118864786 /nfs/dbraw/zinc/86/47/86/1118864786.db2.gz OZFXCCNPJXULQF-UHFFFAOYSA-N 0 1 299.399 3.668 20 0 CHADMN CC(C)c1ccc([C@@H]2CCCN2Cc2cc[nH]n2)cc1 ZINC000093814550 1118866839 /nfs/dbraw/zinc/86/68/39/1118866839.db2.gz BVZOVMUSCQDTLC-KRWDZBQOSA-N 0 1 269.392 3.870 20 0 CHADMN Cc1cc2cc(C[N@H+](C)[C@H]3CCCOC3)oc2cc1C ZINC000348709438 1118867226 /nfs/dbraw/zinc/86/72/26/1118867226.db2.gz BFZZUNARNDULCK-HNNXBMFYSA-N 0 1 273.376 3.660 20 0 CHADMN COc1cccc(CNC2(c3ccccc3C)CC2)c1OC ZINC000647224774 1118868216 /nfs/dbraw/zinc/86/82/16/1118868216.db2.gz YSYZRWAANQXVLH-UHFFFAOYSA-N 0 1 297.398 3.791 20 0 CHADMN [O-]c1cccc2c(NC[C@H]3CCCCS3)cc[nH+]c12 ZINC000684581993 1118870084 /nfs/dbraw/zinc/87/00/84/1118870084.db2.gz VHQLGSNFSGALGB-LLVKDONJSA-N 0 1 274.389 3.638 20 0 CHADMN Cc1ncc([C@@H](C)NCc2c(C)cc(C)nc2C)s1 ZINC000639997314 1118878433 /nfs/dbraw/zinc/87/84/33/1118878433.db2.gz XQPSXAZZLHEBFB-GFCCVEGCSA-N 0 1 275.421 3.623 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1c1cc[nH+]c2c([O-])cccc12 ZINC000684592082 1118879601 /nfs/dbraw/zinc/87/96/01/1118879601.db2.gz DQIRQZDZJDFKAR-KOLCDFICSA-N 0 1 296.292 3.718 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1N[C@H](C)c1cscn1 ZINC000535777936 1118883849 /nfs/dbraw/zinc/88/38/49/1118883849.db2.gz UCDQKIAKSXSOGY-NQBHXWOUSA-N 0 1 270.467 3.858 20 0 CHADMN CCOc1ccccc1CN1CCC[C@@H]1c1ccccn1 ZINC000535785462 1118886037 /nfs/dbraw/zinc/88/60/37/1118886037.db2.gz NVEUMFBVXTWSPG-QGZVFWFLSA-N 0 1 282.387 3.817 20 0 CHADMN C[C@H](N[C@@H](CCO)C1CCCC1)c1ncc(C(C)(C)C)o1 ZINC000934012844 1118892319 /nfs/dbraw/zinc/89/23/19/1118892319.db2.gz YAJGPKZHCVEZPC-JSGCOSHPSA-N 0 1 294.439 3.564 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN1C[C@@H](C)S[C@@H](C)C1 ZINC000535825479 1118901365 /nfs/dbraw/zinc/90/13/65/1118901365.db2.gz ZOEOISACLPOAQA-TXEJJXNPSA-N 0 1 295.496 3.581 20 0 CHADMN C(=C\[C@H]1CCCCCN1Cc1cc[nH]n1)\c1ccccc1 ZINC000535825376 1118902003 /nfs/dbraw/zinc/90/20/03/1118902003.db2.gz XUGKPRXZGARFJY-RXQFDZFGSA-N 0 1 281.403 3.868 20 0 CHADMN CC(C)CCC[C@H](C)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000338065654 1118909156 /nfs/dbraw/zinc/90/91/56/1118909156.db2.gz LTAZJPNEFZRSHA-NSHDSACASA-N 0 1 291.370 3.647 20 0 CHADMN CCOCC[N@@H+](C)Cc1cnc(-c2ccc(C)cc2)s1 ZINC000181492199 1118915144 /nfs/dbraw/zinc/91/51/44/1118915144.db2.gz YFRDGMQFGMXWCU-UHFFFAOYSA-N 0 1 290.432 3.587 20 0 CHADMN CCOCCN(C)Cc1cnc(-c2ccc(C)cc2)s1 ZINC000181492199 1118915147 /nfs/dbraw/zinc/91/51/47/1118915147.db2.gz YFRDGMQFGMXWCU-UHFFFAOYSA-N 0 1 290.432 3.587 20 0 CHADMN CCCCc1noc(CN[C@H](Cc2ccccc2)C2CC2)n1 ZINC000181555671 1118920193 /nfs/dbraw/zinc/92/01/93/1118920193.db2.gz QXEVTXWETMBCJN-MRXNPFEDSA-N 0 1 299.418 3.523 20 0 CHADMN C[C@@H]1CCCC[C@@H]1CSc1nc(C2CC2)n[nH]1 ZINC000657241218 1118931545 /nfs/dbraw/zinc/93/15/45/1118931545.db2.gz PGWXKDVVPJMLNF-MWLCHTKSSA-N 0 1 251.399 3.601 20 0 CHADMN C[C@@H]1CCCC[C@@H]1CSc1n[nH]c(C2CC2)n1 ZINC000657241218 1118931547 /nfs/dbraw/zinc/93/15/47/1118931547.db2.gz PGWXKDVVPJMLNF-MWLCHTKSSA-N 0 1 251.399 3.601 20 0 CHADMN Cc1ccc2c(c1)CCN2C(=O)c1cc(Cl)ccc1O ZINC000091103787 1118933666 /nfs/dbraw/zinc/93/36/66/1118933666.db2.gz UYPCVZGTVPQECJ-UHFFFAOYSA-N 0 1 287.746 3.557 20 0 CHADMN C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@@H]1C[C@@]1(C)Br ZINC000892010245 1118936744 /nfs/dbraw/zinc/93/67/44/1118936744.db2.gz SCAQBRVIAUAMHX-SCDSUCTJSA-N 0 1 298.224 3.559 20 0 CHADMN CCOC[C@@H]1CCC[N@@H+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892050508 1118950448 /nfs/dbraw/zinc/95/04/48/1118950448.db2.gz ZGZRQBDBBPNDBW-QGZVFWFLSA-N 0 1 290.451 3.529 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2ccnn2CC2CC2)cc1 ZINC000657294520 1118964314 /nfs/dbraw/zinc/96/43/14/1118964314.db2.gz AMMCWRSXAYCVCJ-CQSZACIVSA-N 0 1 299.418 3.543 20 0 CHADMN CCOc1cccc(CN[C@H]2CCCc3ccc(C)cc32)n1 ZINC000342306669 1118971933 /nfs/dbraw/zinc/97/19/33/1118971933.db2.gz KRJNQDHMVCTBFX-SFHVURJKSA-N 0 1 296.414 3.956 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccccc2-n2cccn2)o1 ZINC000151846375 1118973229 /nfs/dbraw/zinc/97/32/29/1118973229.db2.gz MJTYUJWTKFFWFQ-CQSZACIVSA-N 0 1 281.359 3.625 20 0 CHADMN CC(C)(C)c1coc(CNC2CCC3(CC3)CC2)n1 ZINC000724358781 1118973982 /nfs/dbraw/zinc/97/39/82/1118973982.db2.gz RUUJHECGAQWATL-UHFFFAOYSA-N 0 1 262.397 3.785 20 0 CHADMN CC[C@](C)(NCc1nc(C(C)(C)C)co1)C1CC1 ZINC000724363446 1118976683 /nfs/dbraw/zinc/97/66/83/1118976683.db2.gz GKZYUCLJJDTSCV-HNNXBMFYSA-N 0 1 250.386 3.640 20 0 CHADMN C[C@H](Cc1c(Cl)cccc1Cl)NCc1ccon1 ZINC000130410426 1118979286 /nfs/dbraw/zinc/97/92/86/1118979286.db2.gz YMEKZODRPRZJCQ-SECBINFHSA-N 0 1 285.174 3.702 20 0 CHADMN CC(C)(C)c1coc(CN[C@@H]2CCC23CCCC3)n1 ZINC000724376212 1118980818 /nfs/dbraw/zinc/98/08/18/1118980818.db2.gz LMVHATVPEAWDBP-GFCCVEGCSA-N 0 1 262.397 3.785 20 0 CHADMN CC(C)(C)c1coc(CN[C@H]2CCC23CCCC3)n1 ZINC000724376214 1118980945 /nfs/dbraw/zinc/98/09/45/1118980945.db2.gz LMVHATVPEAWDBP-LBPRGKRZSA-N 0 1 262.397 3.785 20 0 CHADMN CC(C)COc1cccc(CNC(C)(C)CF)c1 ZINC000472123472 1118982776 /nfs/dbraw/zinc/98/27/76/1118982776.db2.gz CMBYSWRVORCAIH-UHFFFAOYSA-N 0 1 253.361 3.559 20 0 CHADMN C[C@@H](CNCc1nc(C(C)(C)C)co1)c1ccccc1 ZINC000724393337 1118986879 /nfs/dbraw/zinc/98/68/79/1118986879.db2.gz CGTXMSHXIIWSFP-ZDUSSCGKSA-N 0 1 272.392 3.865 20 0 CHADMN CC(C)Oc1ncccc1CN[C@@H](C)c1cccc(F)c1 ZINC000048760475 1118988886 /nfs/dbraw/zinc/98/88/86/1118988886.db2.gz NUYCGPFCEFWPFC-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN CC(C)(C)c1coc(CNCC2(C)CCCC2)n1 ZINC000724432640 1119001756 /nfs/dbraw/zinc/00/17/56/1119001756.db2.gz LWPFFQZZHYHTMR-UHFFFAOYSA-N 0 1 250.386 3.642 20 0 CHADMN CC(C)c1nc([C@H](C)NC(=O)CCCCC(C)(C)C)n[nH]1 ZINC000342400779 1119002720 /nfs/dbraw/zinc/00/27/20/1119002720.db2.gz KSHOOFBFVGTLFR-LBPRGKRZSA-N 0 1 294.443 3.712 20 0 CHADMN CC(C)(NCc1cc(O)cc(F)c1)c1cccs1 ZINC000349696510 1119007055 /nfs/dbraw/zinc/00/70/55/1119007055.db2.gz DVBQSCOVQFIWGO-UHFFFAOYSA-N 0 1 265.353 3.618 20 0 CHADMN CC[C@H]1C[C@@H](NCc2c(Cl)cccc2Cl)CO1 ZINC000657337511 1119010651 /nfs/dbraw/zinc/01/06/51/1119010651.db2.gz XWKVFUFGTJHDNM-ZJUUUORDSA-N 0 1 274.191 3.651 20 0 CHADMN CCc1cccc2cc(CN[C@H](C)c3cn(C)nc3C)oc21 ZINC000657347008 1119016255 /nfs/dbraw/zinc/01/62/55/1119016255.db2.gz LDNIFHVFGFXLLG-GFCCVEGCSA-N 0 1 297.402 3.888 20 0 CHADMN C[C@H]1Oc2ccccc2[C@H]1NCc1cccc2cccnc21 ZINC000342425042 1119017811 /nfs/dbraw/zinc/01/78/11/1119017811.db2.gz UPXHFACYGVUVOX-ACJLOTCBSA-N 0 1 290.366 3.847 20 0 CHADMN Cc1c[nH]c(CN[C@@H]2CCC(C)(C)c3ccccc32)n1 ZINC000657348592 1119018782 /nfs/dbraw/zinc/01/87/82/1119018782.db2.gz ALLZEEDSLHZAAD-OAHLLOKOSA-N 0 1 269.392 3.620 20 0 CHADMN COC[C@H](NCc1cccnc1C)c1cccc(Cl)c1 ZINC000342427087 1119019720 /nfs/dbraw/zinc/01/97/20/1119019720.db2.gz HVQWJDAQUCQVKO-INIZCTEOSA-N 0 1 290.794 3.521 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1ccnn1C1CCC1 ZINC000892203199 1119022489 /nfs/dbraw/zinc/02/24/89/1119022489.db2.gz RWEAUNDDMMLFFY-CYBMUJFWSA-N 0 1 281.469 3.572 20 0 CHADMN COCCOc1ccccc1C[N@@H+](C)Cc1cccc(C)c1 ZINC000349701039 1119029180 /nfs/dbraw/zinc/02/91/80/1119029180.db2.gz VTVUCMRAYGIOKC-UHFFFAOYSA-N 0 1 299.414 3.652 20 0 CHADMN COCCOc1ccccc1CN(C)Cc1cccc(C)c1 ZINC000349701039 1119029182 /nfs/dbraw/zinc/02/91/82/1119029182.db2.gz VTVUCMRAYGIOKC-UHFFFAOYSA-N 0 1 299.414 3.652 20 0 CHADMN CC[C@@H]1C[C@@H](N[C@@H](C)c2ccc(F)cc2Cl)CO1 ZINC000657364927 1119031363 /nfs/dbraw/zinc/03/13/63/1119031363.db2.gz RXKWVWZZLDCQPI-MVWJERBFSA-N 0 1 271.763 3.697 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cn(C2CCC2)nn1)C(C)C ZINC000657369562 1119035316 /nfs/dbraw/zinc/03/53/16/1119035316.db2.gz JZRZVKVYVBUILC-SFHVURJKSA-N 0 1 298.434 3.798 20 0 CHADMN c1ccc2c(c1)C[N@H+](Cc1ccncc1)CC21CCC1 ZINC000375680870 1119035535 /nfs/dbraw/zinc/03/55/35/1119035535.db2.gz SPBFZFLAFUCCOL-UHFFFAOYSA-N 0 1 264.372 3.519 20 0 CHADMN c1ccc2c(c1)CN(Cc1ccncc1)CC21CCC1 ZINC000375680870 1119035539 /nfs/dbraw/zinc/03/55/39/1119035539.db2.gz SPBFZFLAFUCCOL-UHFFFAOYSA-N 0 1 264.372 3.519 20 0 CHADMN CC[C@H]1CCCC[C@H]1CN(C)Cc1cc(C)on1 ZINC000628140355 1128817308 /nfs/dbraw/zinc/81/73/08/1128817308.db2.gz IDFGZPFRKOAADM-KBPBESRZSA-N 0 1 250.386 3.631 20 0 CHADMN CSc1cccc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)c1C ZINC000342467831 1119042399 /nfs/dbraw/zinc/04/23/99/1119042399.db2.gz SBCIBPIGZKKHCZ-RYUDHWBXSA-N 0 1 292.448 3.528 20 0 CHADMN CC(C)n1ccnc1CN[C@@H]1C[C@@H]1C1CCCCC1 ZINC000657382653 1119044051 /nfs/dbraw/zinc/04/40/51/1119044051.db2.gz SORIHMCMRNUCFC-HUUCEWRRSA-N 0 1 261.413 3.522 20 0 CHADMN Cc1cc(Cl)cc(CN(C)Cc2ccccn2)c1 ZINC000352871817 1119046588 /nfs/dbraw/zinc/04/65/88/1119046588.db2.gz CBGXTWALKDNQAG-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN CO[C@H](CN[C@@H]1c2ccccc2CC[C@H]1F)CC(C)C ZINC001207285240 1119047709 /nfs/dbraw/zinc/04/77/09/1119047709.db2.gz ZKOGBQQHWCASOZ-USXIJHARSA-N 0 1 279.399 3.663 20 0 CHADMN C=C(Cl)CN(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051582031 1119048903 /nfs/dbraw/zinc/04/89/03/1119048903.db2.gz RHJNEDMNEMZQIY-JKSUJKDBSA-N 0 1 279.811 3.839 20 0 CHADMN CO[C@H](CNCc1occc1C)c1ccccc1Cl ZINC000124929239 1119049408 /nfs/dbraw/zinc/04/94/08/1119049408.db2.gz ZSSQSSPCHOFAPW-OAHLLOKOSA-N 0 1 279.767 3.719 20 0 CHADMN Cc1ccc(C)n1C1CCN(Cc2cnc(C3CC3)o2)CC1 ZINC000628160067 1128818477 /nfs/dbraw/zinc/81/84/77/1128818477.db2.gz HBOYTWBSFBRIBV-UHFFFAOYSA-N 0 1 299.418 3.807 20 0 CHADMN CCc1noc(CC)c1CNCc1cc2ccc(C)cc2[nH]1 ZINC000657396551 1119054561 /nfs/dbraw/zinc/05/45/61/1119054561.db2.gz LZXIWYNPINQAFV-UHFFFAOYSA-N 0 1 297.402 3.879 20 0 CHADMN C[N@@H+](CCC1CCCCC1)[C@@H](C(=O)[O-])c1ccsc1 ZINC000582425708 1119078789 /nfs/dbraw/zinc/07/87/89/1119078789.db2.gz KCGWDBMRMHLNKC-CQSZACIVSA-N 0 1 281.421 3.776 20 0 CHADMN COc1cnccc1[C@H](C)NCc1cc2ccc(C)cc2[nH]1 ZINC000657442194 1119093962 /nfs/dbraw/zinc/09/39/62/1119093962.db2.gz OTSCOUZPHHMMRD-ZDUSSCGKSA-N 0 1 295.386 3.731 20 0 CHADMN Cc1cccc(CN2CC[C@H](C)C[C@@H]2c2ccco2)n1 ZINC000342606059 1119100087 /nfs/dbraw/zinc/10/00/87/1119100087.db2.gz OXWHICVCEXXJAK-XJKSGUPXSA-N 0 1 270.376 3.956 20 0 CHADMN c1coc(-c2nc(CN3C[C@@H]4CCC[C@H]4C3)cs2)c1 ZINC000152665803 1119104362 /nfs/dbraw/zinc/10/43/62/1119104362.db2.gz YIXAOBDABSRTRL-RYUDHWBXSA-N 0 1 274.389 3.635 20 0 CHADMN c1cn(-c2ccccc2)nc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000342624268 1119104404 /nfs/dbraw/zinc/10/44/04/1119104404.db2.gz QYSJOWXGNDOBKI-YJBOKZPZSA-N 0 1 281.403 3.637 20 0 CHADMN C[C@H]1CCN(Cc2ncc(-c3ccccc3)s2)C1 ZINC000342636446 1119107677 /nfs/dbraw/zinc/10/76/77/1119107677.db2.gz NHKGWUGRQQTZIZ-LBPRGKRZSA-N 0 1 258.390 3.652 20 0 CHADMN CCCn1nccc1CNCc1ccc2sccc2c1 ZINC000657468393 1119114923 /nfs/dbraw/zinc/11/49/23/1119114923.db2.gz NYMPJGWXABHZPP-UHFFFAOYSA-N 0 1 285.416 3.798 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1nccn1C(C)C)CCC2 ZINC000657472594 1119117784 /nfs/dbraw/zinc/11/77/84/1119117784.db2.gz WPUSOFTYTOXKEC-QGZVFWFLSA-N 0 1 283.419 3.940 20 0 CHADMN Cc1nc2ccc(CSc3cccc(O)c3)cc2[nH]1 ZINC000342688904 1119127979 /nfs/dbraw/zinc/12/79/79/1119127979.db2.gz QRHASABWXHMKQO-UHFFFAOYSA-N 0 1 270.357 3.869 20 0 CHADMN Fc1cccc(CN[C@@H]2C[C@H]2c2ccco2)c1OC(F)F ZINC000657495554 1119131531 /nfs/dbraw/zinc/13/15/31/1119131531.db2.gz JKIYZDAYTMBKIX-ZYHUDNBSSA-N 0 1 297.276 3.666 20 0 CHADMN CSc1ccccc1[C@H]1CCCN1Cc1[nH]cnc1C ZINC001204593284 1119144156 /nfs/dbraw/zinc/14/41/56/1119144156.db2.gz VRYSMHGTBATWGA-OAHLLOKOSA-N 0 1 287.432 3.777 20 0 CHADMN Cc1ccc([C@@H]2COCCN2C[C@@H](C)c2ccccc2)o1 ZINC000116895049 1119156630 /nfs/dbraw/zinc/15/66/30/1119156630.db2.gz QNUKDMNEIVERMV-PBHICJAKSA-N 0 1 285.387 3.765 20 0 CHADMN Cc1cnc(CN(C)C2CCC(C(C)(C)C)CC2)n1C ZINC000342800047 1119175200 /nfs/dbraw/zinc/17/52/00/1119175200.db2.gz QCUPQYIVNSJDJG-UHFFFAOYSA-N 0 1 277.456 3.765 20 0 CHADMN CC1(C)CCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000076013674 1119181647 /nfs/dbraw/zinc/18/16/47/1119181647.db2.gz PXCDVFPCXVQBPV-UHFFFAOYSA-N 0 1 291.782 3.622 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN(C)C1CCC1 ZINC000075841488 1119182290 /nfs/dbraw/zinc/18/22/90/1119182290.db2.gz MYVIZXKLJHUGKH-UHFFFAOYSA-N 0 1 262.378 3.696 20 0 CHADMN Cc1ccc(-c2nc(CN3CCC[C@H]3C)cs2)o1 ZINC000076115192 1119182880 /nfs/dbraw/zinc/18/28/80/1119182880.db2.gz DUWKQFFGFQGUNX-SNVBAGLBSA-N 0 1 262.378 3.696 20 0 CHADMN CC(C)c1nnc(CN2CC[C@H](C)[C@H]3CCCC[C@@H]32)o1 ZINC000588935831 1119189206 /nfs/dbraw/zinc/18/92/06/1119189206.db2.gz ZFWFCRIIZWVIRC-MJBXVCDLSA-N 0 1 277.412 3.594 20 0 CHADMN CCN(Cc1ncccc1Br)C1CCCC1 ZINC000309285272 1119203358 /nfs/dbraw/zinc/20/33/58/1119203358.db2.gz UZFAYUBZPBVHTO-UHFFFAOYSA-N 0 1 283.213 3.609 20 0 CHADMN CC(C)[C@H](NCc1cccnc1)c1ccccc1F ZINC000657614325 1119209462 /nfs/dbraw/zinc/20/94/62/1119209462.db2.gz AXHUGYXHFRQOHA-INIZCTEOSA-N 0 1 258.340 3.708 20 0 CHADMN C[C@H](Oc1ccnc(NCC2(C)COC2)c1)c1ccccc1 ZINC000657618039 1119209977 /nfs/dbraw/zinc/20/99/77/1119209977.db2.gz PMQAWKIRDHCNNN-AWEZNQCLSA-N 0 1 298.386 3.670 20 0 CHADMN CC[C@@H]1c2ccsc2CCN1Cc1cccn1C ZINC000153300580 1119212220 /nfs/dbraw/zinc/21/22/20/1119212220.db2.gz OBQBYEDYDVBEFC-CQSZACIVSA-N 0 1 260.406 3.596 20 0 CHADMN Cc1nc(CN(C)CCc2cccc3ccccc32)[nH]c1C ZINC000628158585 1119216185 /nfs/dbraw/zinc/21/61/85/1119216185.db2.gz RWUOZONIXRGKSE-UHFFFAOYSA-N 0 1 293.414 3.854 20 0 CHADMN CC(C)(NCc1cnc(C2CC2)o1)c1cccs1 ZINC000628216241 1128829912 /nfs/dbraw/zinc/82/99/12/1128829912.db2.gz HUAGSGUCKDLKPE-UHFFFAOYSA-N 0 1 262.378 3.638 20 0 CHADMN CC1(C)CCC[C@@H]1CCNC(=O)c1cc(F)cc(F)c1O ZINC001167623802 1119228407 /nfs/dbraw/zinc/22/84/07/1119228407.db2.gz YKOGDQIVTSGTLQ-SNVBAGLBSA-N 0 1 297.345 3.617 20 0 CHADMN CCCn1cc(CNCc2ccc(Cl)c(Cl)c2)cn1 ZINC000657659839 1119229752 /nfs/dbraw/zinc/22/97/52/1119229752.db2.gz XLWDTBSXDRVMIB-UHFFFAOYSA-N 0 1 298.217 3.890 20 0 CHADMN CCC(C)(C)[C@@H]1CCCN1Cc1ncc(COC)s1 ZINC000342912918 1119244359 /nfs/dbraw/zinc/24/43/59/1119244359.db2.gz NKYJZDUYEJCVBU-ZDUSSCGKSA-N 0 1 282.453 3.690 20 0 CHADMN COCc1cnc(CN2CCC[C@H](C(C)(C)C)CC2)s1 ZINC000342916692 1119245980 /nfs/dbraw/zinc/24/59/80/1119245980.db2.gz KBTJGEWAGDXYOY-ZDUSSCGKSA-N 0 1 296.480 3.938 20 0 CHADMN CC[C@@](C)([NH2+]Cc1cccc([O-])c1Br)C1CC1 ZINC000657689445 1119246074 /nfs/dbraw/zinc/24/60/74/1119246074.db2.gz PDQHJKLDVKOTQN-CQSZACIVSA-N 0 1 298.224 3.823 20 0 CHADMN COCc1cnc(CN(C)C2CCC(C)(C)CC2)s1 ZINC000342918036 1119247138 /nfs/dbraw/zinc/24/71/38/1119247138.db2.gz OTBHJPGSESEPNH-UHFFFAOYSA-N 0 1 282.453 3.690 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1Cc1ncc(COC)s1 ZINC000342925081 1119250127 /nfs/dbraw/zinc/25/01/27/1119250127.db2.gz HUYVDZFWNFNEOU-JSGCOSHPSA-N 0 1 282.453 3.690 20 0 CHADMN Oc1ccc2c(c1)[C@H](NCc1ccccc1Cl)CC2 ZINC000657692006 1119250889 /nfs/dbraw/zinc/25/08/89/1119250889.db2.gz MJHGYWNJHWGVQD-MRXNPFEDSA-N 0 1 273.763 3.823 20 0 CHADMN COCc1cnc(CN2CCC[C@@H](CC(C)C)C2)s1 ZINC000342928862 1119252946 /nfs/dbraw/zinc/25/29/46/1119252946.db2.gz DKLGMGMUBJRFHN-ZDUSSCGKSA-N 0 1 282.453 3.548 20 0 CHADMN Cc1ncc(CNC2(c3cccc(C)c3)CCCC2)o1 ZINC000628233366 1128832586 /nfs/dbraw/zinc/83/25/86/1128832586.db2.gz XQCWZIOIUYSKAE-UHFFFAOYSA-N 0 1 270.376 3.851 20 0 CHADMN Cc1nc(CN(C)[C@@H](C)Cc2ccc(Cl)cc2)[nH]c1C ZINC000628180681 1119259454 /nfs/dbraw/zinc/25/94/54/1119259454.db2.gz ZWDSUYGORBQWGU-NSHDSACASA-N 0 1 291.826 3.743 20 0 CHADMN CC(=O)CCN(Cc1cccs1)Cc1cccs1 ZINC000162245631 1119271930 /nfs/dbraw/zinc/27/19/30/1119271930.db2.gz WYUGRUFUIYNSJE-UHFFFAOYSA-N 0 1 279.430 3.791 20 0 CHADMN Cc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1C ZINC000005121375 1119277288 /nfs/dbraw/zinc/27/72/88/1119277288.db2.gz KOOUDHWKZJUSKQ-UHFFFAOYSA-N 0 1 295.791 3.758 20 0 CHADMN COc1ccc([C@@H](C)N[C@H]2CCCc3cccnc32)cc1 ZINC000091661923 1119279825 /nfs/dbraw/zinc/27/98/25/1119279825.db2.gz HWIWZEQASCSYJM-DYVFJYSZSA-N 0 1 282.387 3.818 20 0 CHADMN CC(C)c1nnc(CN(C)C2CCCCCCC2)o1 ZINC000171147199 1119283716 /nfs/dbraw/zinc/28/37/16/1119283716.db2.gz YEOIHSQXCXVDQD-UHFFFAOYSA-N 0 1 265.401 3.738 20 0 CHADMN C[C@H]1CCC[N@@H+](CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000052085852 1119288220 /nfs/dbraw/zinc/28/82/20/1119288220.db2.gz SEWHRKBTEMWVHC-AWEZNQCLSA-N 0 1 294.398 3.880 20 0 CHADMN C[C@H]1CCCN(CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000052085852 1119288224 /nfs/dbraw/zinc/28/82/24/1119288224.db2.gz SEWHRKBTEMWVHC-AWEZNQCLSA-N 0 1 294.398 3.880 20 0 CHADMN Cc1noc(C)c1CN[C@@H](C)c1cc2c(s1)CCC2 ZINC000153945981 1119297312 /nfs/dbraw/zinc/29/73/12/1119297312.db2.gz PUUFWCYTXFWGTK-JTQLQIEISA-N 0 1 276.405 3.692 20 0 CHADMN CC[C@@H](NCc1c(C)noc1C)c1cccc(OC)c1 ZINC000153919282 1119296975 /nfs/dbraw/zinc/29/69/75/1119296975.db2.gz KUSVINXTABCCSO-MRXNPFEDSA-N 0 1 274.364 3.541 20 0 CHADMN Cc1ccc(CN(C)Cc2cc3ccccc3o2)nc1 ZINC000154227126 1119305505 /nfs/dbraw/zinc/30/55/05/1119305505.db2.gz XQCIOMINOUHZTJ-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN CCN(CCC(F)(F)F)Cc1ccc(C)c(F)c1 ZINC000092753886 1119347383 /nfs/dbraw/zinc/34/73/83/1119347383.db2.gz WYUVTOYJUBDUQT-UHFFFAOYSA-N 0 1 263.278 3.908 20 0 CHADMN C[C@@H](c1ccccn1)N(C)C[C@@H]1CCC2(CCCCC2)O1 ZINC000191004823 1119316788 /nfs/dbraw/zinc/31/67/88/1119316788.db2.gz ZSJRDIIMNHMMEN-HOTGVXAUSA-N 0 1 288.435 3.956 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2cccnc2N(C)C)c1 ZINC000154711319 1119318600 /nfs/dbraw/zinc/31/86/00/1119318600.db2.gz OYCYRVMSFGHUGH-OAHLLOKOSA-N 0 1 283.419 3.615 20 0 CHADMN COc1cc(CN[C@H](C)c2cncs2)c2ccccc2n1 ZINC000124867370 1119322063 /nfs/dbraw/zinc/32/20/63/1119322063.db2.gz GLUHDGUMCCXQGA-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@H](C)c1ccsc1 ZINC000092328344 1119329011 /nfs/dbraw/zinc/32/90/11/1119329011.db2.gz IJMPKHXBKDPCJS-RKDXNWHRSA-N 0 1 250.367 3.765 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1nnc(-c2ccccc2)s1 ZINC000155266945 1119330637 /nfs/dbraw/zinc/33/06/37/1119330637.db2.gz QTHCNLUAVJFOLO-QWHCGFSZSA-N 0 1 287.432 3.826 20 0 CHADMN CCCCN(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000248208411 1119333597 /nfs/dbraw/zinc/33/35/97/1119333597.db2.gz BZYKOJMCHXOVOQ-UHFFFAOYSA-N 0 1 279.771 3.622 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1ccc(C)o1)CCC2 ZINC000092383956 1119335829 /nfs/dbraw/zinc/33/58/29/1119335829.db2.gz RMRPKHGNUBILIN-QGZVFWFLSA-N 0 1 271.360 3.764 20 0 CHADMN Fc1cccc(C2(NCc3cc(F)cc(F)c3)CC2)c1 ZINC000162843260 1119336846 /nfs/dbraw/zinc/33/68/46/1119336846.db2.gz SINZDPRAHFFLSK-UHFFFAOYSA-N 0 1 277.289 3.883 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)CC(F)(F)F)c(C)s1 ZINC000231791814 1119342255 /nfs/dbraw/zinc/34/22/55/1119342255.db2.gz FQRKAVZRHSDDEO-BQBZGAKWSA-N 0 1 266.332 3.751 20 0 CHADMN Cn1c2ccccc2n(CN2CCC[C@H]2C2CC2)c1=S ZINC000728563329 1119342536 /nfs/dbraw/zinc/34/25/36/1119342536.db2.gz RREKICMEGQQPKG-ZDUSSCGKSA-N 0 1 287.432 3.541 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N(Cc2noc(-c3ccccc3)n2)C1 ZINC000525640926 1119354071 /nfs/dbraw/zinc/35/40/71/1119354071.db2.gz JSRJYNOHPCEDPW-ZIAGYGMSSA-N 0 1 285.391 3.747 20 0 CHADMN c1ccc(C2(NCc3nc4c(s3)CCC4)CCC2)cc1 ZINC000093066556 1119354873 /nfs/dbraw/zinc/35/48/73/1119354873.db2.gz NIHKZSQTLHJNOY-UHFFFAOYSA-N 0 1 284.428 3.801 20 0 CHADMN CCCCN(C)CC(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000301492802 1119355162 /nfs/dbraw/zinc/35/51/62/1119355162.db2.gz QVQOQGBJRVFIMN-AWEZNQCLSA-N 0 1 276.424 3.871 20 0 CHADMN OCC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000093106220 1119355232 /nfs/dbraw/zinc/35/52/32/1119355232.db2.gz PHCPJUHQERLLJM-NSHDSACASA-N 0 1 288.218 3.588 20 0 CHADMN OCC[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000093106220 1119355233 /nfs/dbraw/zinc/35/52/33/1119355233.db2.gz PHCPJUHQERLLJM-NSHDSACASA-N 0 1 288.218 3.588 20 0 CHADMN Cc1c[nH]c(CN2C[C@@H](C)CC[C@H]2c2ccccc2)n1 ZINC000628273450 1128840790 /nfs/dbraw/zinc/84/07/90/1128840790.db2.gz VIZFWJILBXYDJM-BBRMVZONSA-N 0 1 269.392 3.691 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@H]1CCc2ccc(C)cc21 ZINC000126749780 1119364245 /nfs/dbraw/zinc/36/42/45/1119364245.db2.gz SCXCGXYZSFTHNX-BZNIZROVSA-N 0 1 270.376 3.938 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2NC[C@H]1CCCCC1(F)F ZINC000926502330 1119367814 /nfs/dbraw/zinc/36/78/14/1119367814.db2.gz NTCJRKNTLSLIQR-NEPJUHHUSA-N 0 1 284.350 3.776 20 0 CHADMN C=C(Br)CN(C1CC1)C1CCCCC1 ZINC000052441446 1119378908 /nfs/dbraw/zinc/37/89/08/1119378908.db2.gz UDRYZDUNVUALHA-UHFFFAOYSA-N 0 1 258.203 3.692 20 0 CHADMN Cc1nc(CN[C@@H](c2ccccc2C)C2CC2)[nH]c1C ZINC000583576548 1119379494 /nfs/dbraw/zinc/37/94/94/1119379494.db2.gz UPXJIQWALGJQQL-QGZVFWFLSA-N 0 1 269.392 3.576 20 0 CHADMN CCOC[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2Cl)C1 ZINC000192026186 1119382579 /nfs/dbraw/zinc/38/25/79/1119382579.db2.gz HQIXNOKBZWXMEG-CYBMUJFWSA-N 0 1 297.826 3.597 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2cc(OC)ccc2Cl)C1 ZINC000192026186 1119382584 /nfs/dbraw/zinc/38/25/84/1119382584.db2.gz HQIXNOKBZWXMEG-CYBMUJFWSA-N 0 1 297.826 3.597 20 0 CHADMN CCC[C@@H](C)N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000545159310 1119382848 /nfs/dbraw/zinc/38/28/48/1119382848.db2.gz CXCWGEWYJKFWDO-MLGOLLRUSA-N 0 1 291.826 3.941 20 0 CHADMN Cc1csc(CN[C@@H](C)c2c(C)noc2C)c1 ZINC000926518104 1119390150 /nfs/dbraw/zinc/39/01/50/1119390150.db2.gz HNOVAIKIEWCBEJ-VIFPVBQESA-N 0 1 250.367 3.512 20 0 CHADMN CC1(C)CN(Cc2cccc3n[nH]cc32)[C@H]1c1ccncc1 ZINC000628293772 1128842942 /nfs/dbraw/zinc/84/29/42/1128842942.db2.gz RXDQWQXCDCZQGR-KRWDZBQOSA-N 0 1 292.386 3.541 20 0 CHADMN c1csc([C@@H]2CCCN2Cc2cnc(C3CC3)o2)c1 ZINC000628121218 1119402641 /nfs/dbraw/zinc/40/26/41/1119402641.db2.gz WVWBELPLLZHVQT-ZDUSSCGKSA-N 0 1 274.389 3.951 20 0 CHADMN FCC1(NCc2ccc(OCC(F)(F)F)cc2)CCC1 ZINC000583752365 1119406096 /nfs/dbraw/zinc/40/60/96/1119406096.db2.gz FQPJDPGYFQCHGL-UHFFFAOYSA-N 0 1 291.288 3.610 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2ccoc2C(=O)[O-])CC1 ZINC000583758360 1119407789 /nfs/dbraw/zinc/40/77/89/1119407789.db2.gz GCGXOAPUGOUBON-UHFFFAOYSA-N 0 1 279.380 3.770 20 0 CHADMN Cn1cccc1CNCc1ccc(-c2ccccc2)o1 ZINC000343398784 1119409441 /nfs/dbraw/zinc/40/94/41/1119409441.db2.gz GQYDILBHXKOKRJ-UHFFFAOYSA-N 0 1 266.344 3.575 20 0 CHADMN C[N@@H+](Cc1cccnc1)[C@@H]1CCc2ccc(Cl)cc21 ZINC000343410921 1119412413 /nfs/dbraw/zinc/41/24/13/1119412413.db2.gz BKPLGIWYCWYWGB-MRXNPFEDSA-N 0 1 272.779 3.854 20 0 CHADMN CN(Cc1cccnc1)[C@@H]1CCc2ccc(Cl)cc21 ZINC000343410921 1119412415 /nfs/dbraw/zinc/41/24/15/1119412415.db2.gz BKPLGIWYCWYWGB-MRXNPFEDSA-N 0 1 272.779 3.854 20 0 CHADMN CCCCN(Cc1nc(C)c(C)[nH]1)[C@@H]1CCCC[C@H]1OC ZINC000628299426 1128844387 /nfs/dbraw/zinc/84/43/87/1128844387.db2.gz OKXAMMVQTZLVRW-HZPDHXFCSA-N 0 1 293.455 3.586 20 0 CHADMN CCC1CCC(N(Cc2nc(C)c[nH]2)C2CC2)CC1 ZINC000628130798 1119417536 /nfs/dbraw/zinc/41/75/36/1119417536.db2.gz KGBSKNBNNXIRMP-UHFFFAOYSA-N 0 1 261.413 3.651 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000583817987 1119417692 /nfs/dbraw/zinc/41/76/92/1119417692.db2.gz JRORFNIFTZXJAT-MLGOLLRUSA-N 0 1 293.382 3.925 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H](C)c2cccc(C)c2C)cn1 ZINC000427857518 1119417839 /nfs/dbraw/zinc/41/78/39/1119417839.db2.gz ITEGJGKJKDBCJP-GJZGRUSLSA-N 0 1 269.392 3.814 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000583817985 1119417860 /nfs/dbraw/zinc/41/78/60/1119417860.db2.gz JRORFNIFTZXJAT-BLLLJJGKSA-N 0 1 293.382 3.925 20 0 CHADMN CCC[C@@]1(COC)CCCN1Cc1cc(C(C)(C)C)on1 ZINC000583841510 1119422882 /nfs/dbraw/zinc/42/28/82/1119422882.db2.gz XWACUNODNGFZCD-KRWDZBQOSA-N 0 1 294.439 3.753 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1cnc(C)o1 ZINC000628136086 1119428425 /nfs/dbraw/zinc/42/84/25/1119428425.db2.gz QKKARMZMHNADMW-KRWDZBQOSA-N 0 1 286.375 3.501 20 0 CHADMN Cc1cccc(NCCc2cc3ccccc3[nH]2)n1 ZINC000158106340 1119432020 /nfs/dbraw/zinc/43/20/20/1119432020.db2.gz GTIATYSNUGOVQC-UHFFFAOYSA-N 0 1 251.333 3.526 20 0 CHADMN CCc1ccc(CN(C)Cc2cn(C(C)C)nc2C)cc1 ZINC000343557303 1119453150 /nfs/dbraw/zinc/45/31/50/1119453150.db2.gz VIWWQASOGZDUNV-UHFFFAOYSA-N 0 1 285.435 3.967 20 0 CHADMN COc1ccc(CN(C)Cc2csc3ccccc23)cn1 ZINC000343567122 1119456590 /nfs/dbraw/zinc/45/65/90/1119456590.db2.gz PAQMDHQRHWJMPX-UHFFFAOYSA-N 0 1 298.411 3.937 20 0 CHADMN C[C@H](NCc1ccc(Cl)cn1)c1cccs1 ZINC000132973721 1119460091 /nfs/dbraw/zinc/46/00/91/1119460091.db2.gz ZBDMYGHHIOYWDM-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN C[C@H](NCc1ccc(Br)cc1)c1cncs1 ZINC000132963796 1119460172 /nfs/dbraw/zinc/46/01/72/1119460172.db2.gz KKMYNEXOODLJHR-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN Fc1cccc2c1SCC[C@H]2NCc1cncs1 ZINC000133044142 1119461843 /nfs/dbraw/zinc/46/18/43/1119461843.db2.gz GPJZZADNQCXOIX-GFCCVEGCSA-N 0 1 280.393 3.609 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCc2ccccc2[C@H]1C ZINC000343584188 1119463098 /nfs/dbraw/zinc/46/30/98/1119463098.db2.gz BGWRWHFJYBJNGN-OAHLLOKOSA-N 0 1 283.419 3.892 20 0 CHADMN CC(C)[C@H](c1ccccc1)N(C)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343590447 1119463785 /nfs/dbraw/zinc/46/37/85/1119463785.db2.gz BIDVJEQSPJOPDE-MRXNPFEDSA-N 0 1 297.402 3.756 20 0 CHADMN C[C@H](N[C@@H]1CCCOc2ccccc21)c1cncs1 ZINC000133529698 1119470943 /nfs/dbraw/zinc/47/09/43/1119470943.db2.gz JAZRDQQDDOURRV-WCQYABFASA-N 0 1 274.389 3.708 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2ccccc21)c1cncc(F)c1 ZINC000133623583 1119472486 /nfs/dbraw/zinc/47/24/86/1119472486.db2.gz PBRZKFDMQLSPGQ-MLGOLLRUSA-N 0 1 286.350 3.785 20 0 CHADMN CCCC[C@@H](Sc1nc2ccc(C)cc2[nH]1)C(=O)OC ZINC000168729811 1119472880 /nfs/dbraw/zinc/47/28/80/1119472880.db2.gz NVQBQPFNFHICHL-CYBMUJFWSA-N 0 1 292.404 3.695 20 0 CHADMN Cc1ccc([C@H]2CCC[N@@H+]2Cc2ncccc2[O-])cc1C ZINC000584080323 1119473517 /nfs/dbraw/zinc/47/35/17/1119473517.db2.gz WYZRSEXZVKLBTG-QGZVFWFLSA-N 0 1 282.387 3.741 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2Cc2ncccc2[O-])cc1C ZINC000584080323 1119473518 /nfs/dbraw/zinc/47/35/18/1119473518.db2.gz WYZRSEXZVKLBTG-QGZVFWFLSA-N 0 1 282.387 3.741 20 0 CHADMN Cc1csc(CN[C@@H](C)c2cc3ccncc3s2)n1 ZINC000657826773 1119473700 /nfs/dbraw/zinc/47/37/00/1119473700.db2.gz BKNDSCTXJJNSLH-JTQLQIEISA-N 0 1 289.429 3.912 20 0 CHADMN Cc1nc(CN2CCCC3(CCCC3)CC2)[nH]c1C ZINC000628337665 1128848693 /nfs/dbraw/zinc/84/86/93/1128848693.db2.gz NATQTMSGTQWOMH-UHFFFAOYSA-N 0 1 261.413 3.573 20 0 CHADMN CCCCOc1ccc(-n2c(N)nc3ccccc32)cc1F ZINC001211610501 1119479952 /nfs/dbraw/zinc/47/99/52/1119479952.db2.gz ZFZUQWVULFPRAT-UHFFFAOYSA-N 0 1 299.349 3.926 20 0 CHADMN Cc1ccccc1[C@H]1C[N@@H+](C[C@@]2(C)CCCS2)CCO1 ZINC000628178456 1119488584 /nfs/dbraw/zinc/48/85/84/1119488584.db2.gz QMODZVREQPMBDW-IAGOWNOFSA-N 0 1 291.460 3.654 20 0 CHADMN Cc1ccccc1[C@H]1CN(C[C@@]2(C)CCCS2)CCO1 ZINC000628178456 1119488585 /nfs/dbraw/zinc/48/85/85/1119488585.db2.gz QMODZVREQPMBDW-IAGOWNOFSA-N 0 1 291.460 3.654 20 0 CHADMN CCc1noc([C@H](C)N[C@@H](C)[C@H](C)C2CCCCC2)n1 ZINC000248570459 1119490374 /nfs/dbraw/zinc/49/03/74/1119490374.db2.gz LYDHEMGWJFKHBZ-AVGNSLFASA-N 0 1 279.428 3.888 20 0 CHADMN COc1ccc(CN2CCS[C@H](C)[C@@H]2C)cc1Cl ZINC000343748255 1119501142 /nfs/dbraw/zinc/50/11/42/1119501142.db2.gz WADBRGFHQZXPIM-WDEREUQCSA-N 0 1 285.840 3.674 20 0 CHADMN CC[C@H]1CCCN(C(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC000343751157 1119503349 /nfs/dbraw/zinc/50/33/49/1119503349.db2.gz OSSOPSWBXNHYCP-ZDUSSCGKSA-N 0 1 285.391 3.524 20 0 CHADMN C[C@@H](NC1(c2cccc(F)c2)CCC1)c1ccccn1 ZINC000647330184 1119508964 /nfs/dbraw/zinc/50/89/64/1119508964.db2.gz DZHBIWAOMZDZEA-CYBMUJFWSA-N 0 1 270.351 3.951 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccc(Cl)cc1)c1ccccc1 ZINC000089209769 1119537892 /nfs/dbraw/zinc/53/78/92/1119537892.db2.gz IURVPKQURBTICS-LRDDRELGSA-N 0 1 275.779 3.724 20 0 CHADMN Cc1ncc(CN2CCC[C@H](c3ccc(F)c(F)c3)C2)o1 ZINC000628393426 1128853162 /nfs/dbraw/zinc/85/31/62/1128853162.db2.gz HJHCIMXKASBOLM-ZDUSSCGKSA-N 0 1 292.329 3.641 20 0 CHADMN COc1ccc([C@H](C)N[C@H]2COc3ccc(C)cc32)cc1 ZINC000090452870 1119544324 /nfs/dbraw/zinc/54/43/24/1119544324.db2.gz NANFDCGUFLGIGF-GUYCJALGSA-N 0 1 283.371 3.788 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@@H]1COc2ccc(C)cc21 ZINC000090452835 1119544369 /nfs/dbraw/zinc/54/43/69/1119544369.db2.gz VIYGDUNNYGDIBS-IAGOWNOFSA-N 0 1 295.382 3.714 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc3c(c1)OCO3)CO2 ZINC000090452857 1119544444 /nfs/dbraw/zinc/54/44/44/1119544444.db2.gz IYHXCLVNXNSLFP-IUODEOHRSA-N 0 1 297.354 3.508 20 0 CHADMN CCCn1ccc(CN2CCO[C@](C)(c3ccccc3)C2)c1 ZINC000584445239 1119553342 /nfs/dbraw/zinc/55/33/42/1119553342.db2.gz BODFEQJNUUGWEY-IBGZPJMESA-N 0 1 298.430 3.646 20 0 CHADMN CC(C)CO[C@H]1CCN(Cc2cnc(C(C)C)s2)C1 ZINC000091964146 1119560206 /nfs/dbraw/zinc/56/02/06/1119560206.db2.gz HNSOBGKLKHGZMZ-ZDUSSCGKSA-N 0 1 282.453 3.513 20 0 CHADMN Cc1ccoc1CN(CCC(F)(F)F)CC1CC1 ZINC000091901812 1119560400 /nfs/dbraw/zinc/56/04/00/1119560400.db2.gz RNERBNRCLGCVDZ-UHFFFAOYSA-N 0 1 261.287 3.752 20 0 CHADMN CC(C)[C@H](NCc1nccn1C)c1ccc2c(c1)CCCC2 ZINC000657867413 1119565601 /nfs/dbraw/zinc/56/56/01/1119565601.db2.gz LWXWEUBFZMVJSX-IBGZPJMESA-N 0 1 297.446 3.786 20 0 CHADMN C[C@H]1CCCN(Cc2ncccc2C(F)(F)F)CC1 ZINC000092586139 1119566072 /nfs/dbraw/zinc/56/60/72/1119566072.db2.gz CQYAJSIZVNVGEW-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN C[C@H](NCCOC1CCCCCC1)c1ccc(F)cn1 ZINC000092750534 1119566459 /nfs/dbraw/zinc/56/64/59/1119566459.db2.gz UQKSPHHVEWRKTO-ZDUSSCGKSA-N 0 1 280.387 3.611 20 0 CHADMN CCc1nn(C)cc1CNc1cc(C)nc2ccc(F)cc21 ZINC000092959319 1119567932 /nfs/dbraw/zinc/56/79/32/1119567932.db2.gz WUTZUTXNTQSUDF-UHFFFAOYSA-N 0 1 298.365 3.590 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cc(F)ccc1C ZINC000129076241 1119599528 /nfs/dbraw/zinc/59/95/28/1119599528.db2.gz PQTRHLSYTJASEI-JTQLQIEISA-N 0 1 262.328 3.590 20 0 CHADMN CCC[C@@](C)(CC)c1nc(-c2ccn3cncc3c2)no1 ZINC000685380853 1119601290 /nfs/dbraw/zinc/60/12/90/1119601290.db2.gz DVHRXMAADJBDQA-MRXNPFEDSA-N 0 1 284.363 3.852 20 0 CHADMN CC(C)n1cc(CN2CC[C@@H](C)C3(CCCCC3)C2)nn1 ZINC000685427498 1119605914 /nfs/dbraw/zinc/60/59/14/1119605914.db2.gz NSWIKKPNDBKIMK-OAHLLOKOSA-N 0 1 290.455 3.651 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1Cc1ncccc1[O-] ZINC000685431146 1119606286 /nfs/dbraw/zinc/60/62/86/1119606286.db2.gz GIWRYYCLGOJRBM-GDBMZVCRSA-N 0 1 282.387 3.555 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1ncccc1[O-] ZINC000685431146 1119606288 /nfs/dbraw/zinc/60/62/88/1119606288.db2.gz GIWRYYCLGOJRBM-GDBMZVCRSA-N 0 1 282.387 3.555 20 0 CHADMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OC2CCCC2)C1 ZINC000685438420 1119608588 /nfs/dbraw/zinc/60/85/88/1119608588.db2.gz AVSCGSVVFDJVFC-WOVMCDHWSA-N 0 1 289.419 3.617 20 0 CHADMN CCCCN(CC)CC(=O)Nc1ccc(F)cc1Cl ZINC000302834373 1119610099 /nfs/dbraw/zinc/61/00/99/1119610099.db2.gz TYBZRFIFQJATOO-UHFFFAOYSA-N 0 1 286.778 3.540 20 0 CHADMN Clc1ccc2ncc(CN3CCC[C@H](C4CC4)C3)n2c1 ZINC000685476420 1119614197 /nfs/dbraw/zinc/61/41/97/1119614197.db2.gz PRRKSUSAXFKRMM-ZDUSSCGKSA-N 0 1 289.810 3.610 20 0 CHADMN CO[C@@H](C)c1nc(CN[C@@H](C)C(C)(C)C(F)F)cs1 ZINC000657902787 1119619963 /nfs/dbraw/zinc/61/99/63/1119619963.db2.gz QJHMMMCNYMBWLW-IUCAKERBSA-N 0 1 292.395 3.620 20 0 CHADMN CCc1ccc([C@H](C)NCc2cccc(C)n2)cc1 ZINC000051573680 1119623010 /nfs/dbraw/zinc/62/30/10/1119623010.db2.gz MJGIXTFFLNSVRC-AWEZNQCLSA-N 0 1 254.377 3.803 20 0 CHADMN Cc1cc(CN2CC3CC(C3)C2)cc(C(F)(F)F)c1 ZINC001143458663 1119624472 /nfs/dbraw/zinc/62/44/72/1119624472.db2.gz QQZIOVMFEKXWSQ-UHFFFAOYSA-N 0 1 269.310 3.856 20 0 CHADMN CC(C)[C@@H](N[C@@H]1CCn2ccnc21)c1ccc(Cl)cc1 ZINC000294282174 1119627975 /nfs/dbraw/zinc/62/79/75/1119627975.db2.gz YQFHDPDTZRVFHR-HUUCEWRRSA-N 0 1 289.810 3.968 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1cccnc1C ZINC000131175841 1119628306 /nfs/dbraw/zinc/62/83/06/1119628306.db2.gz JXBPGHOJUSSMPD-CYBMUJFWSA-N 0 1 286.423 3.501 20 0 CHADMN CC[C@H](CSc1ccc(C)c(C)c1)NCc1ncc[nH]1 ZINC000131195687 1119628614 /nfs/dbraw/zinc/62/86/14/1119628614.db2.gz PGEHAEUJEJAKNW-CQSZACIVSA-N 0 1 289.448 3.687 20 0 CHADMN CSc1cc(CN[C@@H](C)c2cc3cnccc3o2)ccn1 ZINC000657910945 1119629125 /nfs/dbraw/zinc/62/91/25/1119629125.db2.gz YMFPAGPHVJHVSV-NSHDSACASA-N 0 1 299.399 3.796 20 0 CHADMN CSc1cc(CN[C@H](C)c2cc3cnccc3o2)ccn1 ZINC000657910926 1119629244 /nfs/dbraw/zinc/62/92/44/1119629244.db2.gz YMFPAGPHVJHVSV-LLVKDONJSA-N 0 1 299.399 3.796 20 0 CHADMN COc1ccccc1[C@H](CC(C)C)NCc1ccccn1 ZINC000080206356 1119629354 /nfs/dbraw/zinc/62/93/54/1119629354.db2.gz WEEBMEXHEDBARF-KRWDZBQOSA-N 0 1 284.403 3.967 20 0 CHADMN Cc1nc(C)c(CN(Cc2cccc(F)c2)C(C)C)o1 ZINC000685561929 1119630739 /nfs/dbraw/zinc/63/07/39/1119630739.db2.gz MCYAYSNLVHNOGG-UHFFFAOYSA-N 0 1 276.355 3.841 20 0 CHADMN Cc1nc(C)c(CN[C@H](c2ccccc2)C2CCC2)o1 ZINC000685568027 1119632047 /nfs/dbraw/zinc/63/20/47/1119632047.db2.gz QYLZXCFCDMKWQR-QGZVFWFLSA-N 0 1 270.376 3.922 20 0 CHADMN Cc1nc(C)c(CNC2(c3ccc(F)cc3)CCCC2)o1 ZINC000685567900 1119632305 /nfs/dbraw/zinc/63/23/05/1119632305.db2.gz TVFZWGOWGAWSKO-UHFFFAOYSA-N 0 1 288.366 3.990 20 0 CHADMN CC(C)(C)CCCNCc1occc1Br ZINC000309086027 1119633614 /nfs/dbraw/zinc/63/36/14/1119633614.db2.gz XRXUEUNRJLZLGK-UHFFFAOYSA-N 0 1 274.202 3.958 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2cc(C(C)(C)C)on2)C1 ZINC000685574993 1119634362 /nfs/dbraw/zinc/63/43/62/1119634362.db2.gz WQWOBTRQUDWRNX-UPJWGTAASA-N 0 1 264.413 3.839 20 0 CHADMN Brc1ccc(CN2CC[C@H]3CCC[C@@H]32)s1 ZINC000306449268 1119634846 /nfs/dbraw/zinc/63/48/46/1119634846.db2.gz AIHFAVSSAJOVIZ-KOLCDFICSA-N 0 1 286.238 3.885 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1csc(-c2cnn(C)c2)n1 ZINC000685612237 1119637568 /nfs/dbraw/zinc/63/75/68/1119637568.db2.gz SGTMDACOCLBOJR-GFCCVEGCSA-N 0 1 292.452 3.554 20 0 CHADMN Cc1c[nH]nc1CNCc1ccc(-c2ccccc2)c(C)c1 ZINC000685620551 1119640196 /nfs/dbraw/zinc/64/01/96/1119640196.db2.gz LMQJKKMIOLEAIZ-UHFFFAOYSA-N 0 1 291.398 3.983 20 0 CHADMN C[C@H](NCc1ccccc1N(C)C)c1cc2cnccc2o1 ZINC000657920127 1119641805 /nfs/dbraw/zinc/64/18/05/1119641805.db2.gz WVJRFCLMTDJGPI-ZDUSSCGKSA-N 0 1 295.386 3.745 20 0 CHADMN C[C@@H](N[C@@H]1COC2(CCC2)C1)c1c(F)cccc1Cl ZINC000657923354 1119642623 /nfs/dbraw/zinc/64/26/23/1119642623.db2.gz SZYCQXWJARLDSW-MNOVXSKESA-N 0 1 283.774 3.841 20 0 CHADMN CC[C@H](CN[C@@H](C)c1cc(C)on1)Oc1ccccc1C ZINC000685650393 1119644518 /nfs/dbraw/zinc/64/45/18/1119644518.db2.gz XHCAPCUIVFUHCL-LSDHHAIUSA-N 0 1 288.391 3.800 20 0 CHADMN COc1cc(CN[C@H](c2ccc(F)cc2)C(C)C)sn1 ZINC000399240297 1119645089 /nfs/dbraw/zinc/64/50/89/1119645089.db2.gz CJLAAMWYESFLOQ-HNNXBMFYSA-N 0 1 294.395 3.778 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccsc2)cc1O ZINC000685654512 1119645928 /nfs/dbraw/zinc/64/59/28/1119645928.db2.gz KPGXYGFBTZUSON-MNOVXSKESA-N 0 1 277.389 3.874 20 0 CHADMN Cc1ccc(CCC(=O)Nc2ccc3nc[nH]c3c2)c(C)c1 ZINC000511317783 1119653866 /nfs/dbraw/zinc/65/38/66/1119653866.db2.gz YDYBSEUFXUAGLV-UHFFFAOYSA-N 0 1 293.370 3.751 20 0 CHADMN Cc1nc2cc(N[C@H]3CCCC34CC4)ccc2n1C ZINC000657966825 1119654540 /nfs/dbraw/zinc/65/45/40/1119654540.db2.gz JKWIPPOZRRFJBU-HNNXBMFYSA-N 0 1 255.365 3.626 20 0 CHADMN Cc1cc(CN[C@@H]2CCSc3ccccc32)cnc1F ZINC000892416584 1119656070 /nfs/dbraw/zinc/65/60/70/1119656070.db2.gz ZODSZECSKJEJSZ-CQSZACIVSA-N 0 1 288.391 3.856 20 0 CHADMN CC(=O)Nc1cccc(CN[C@@H](C)c2cccc(F)c2)c1 ZINC000101543360 1119656511 /nfs/dbraw/zinc/65/65/11/1119656511.db2.gz LJPGBONXZNUVEB-LBPRGKRZSA-N 0 1 286.350 3.635 20 0 CHADMN C[C@H](Cc1ccsc1)N(C)Cc1nc2ccccc2n1C ZINC000081599502 1119658441 /nfs/dbraw/zinc/65/84/41/1119658441.db2.gz FPHDBDAGMUXXHZ-CYBMUJFWSA-N 0 1 299.443 3.698 20 0 CHADMN Cc1cccc(CN2CCS[C@H](c3ccccc3)C2)n1 ZINC000605575238 1119660310 /nfs/dbraw/zinc/66/03/10/1119660310.db2.gz HWYJEBMYSZLQCM-KRWDZBQOSA-N 0 1 284.428 3.680 20 0 CHADMN Fc1cc(F)cc(CN2CCC(C3CCOCC3)CC2)c1 ZINC000093704925 1119660969 /nfs/dbraw/zinc/66/09/69/1119660969.db2.gz CYBZMPBASYTFER-UHFFFAOYSA-N 0 1 295.373 3.603 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(C(F)F)nc2)ccn1 ZINC000658025951 1119668001 /nfs/dbraw/zinc/66/80/01/1119668001.db2.gz PRMBKFBJOGTKHO-NSHDSACASA-N 0 1 277.318 3.573 20 0 CHADMN COc1c(C)cccc1CN[C@H](C)c1cc2cnccc2o1 ZINC000658045602 1119670828 /nfs/dbraw/zinc/67/08/28/1119670828.db2.gz GDNLDZQFJAZZTE-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN CC[C@H](Cc1ccc(Cl)cc1)N[C@H](C)c1csnn1 ZINC000658036412 1119672390 /nfs/dbraw/zinc/67/23/90/1119672390.db2.gz QJMPSUXGPOHHTE-ZWNOBZJWSA-N 0 1 295.839 3.863 20 0 CHADMN COc1cccc(OC)c1CN[C@@H](C)c1sccc1C ZINC000658122890 1119688749 /nfs/dbraw/zinc/68/87/49/1119688749.db2.gz XEOCDSDCRAGDKN-LBPRGKRZSA-N 0 1 291.416 3.925 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@H](c1ccccc1F)C(C)C ZINC000658165430 1119695431 /nfs/dbraw/zinc/69/54/31/1119695431.db2.gz DXOJUMYBWWYHQK-PXAZEXFGSA-N 0 1 289.398 3.916 20 0 CHADMN CCn1cc(CN[C@H](c2ccccc2C)C2CCCC2)nn1 ZINC000658177887 1119697333 /nfs/dbraw/zinc/69/73/33/1119697333.db2.gz WOQPEWSIZSGJRQ-SFHVURJKSA-N 0 1 298.434 3.628 20 0 CHADMN Fc1ccc([C@H](NC[C@@H]2CCC[C@H]3C[C@H]32)c2ncc[nH]2)cc1 ZINC000658204840 1119701426 /nfs/dbraw/zinc/70/14/26/1119701426.db2.gz CCIKBVKWQZNKOV-DIECFANBSA-N 0 1 299.393 3.664 20 0 CHADMN COCc1csc(CN[C@@H](C)c2sccc2OC)c1 ZINC000658209576 1119702641 /nfs/dbraw/zinc/70/26/41/1119702641.db2.gz HIHGYTSWUNSZFL-JTQLQIEISA-N 0 1 297.445 3.815 20 0 CHADMN C[C@@]1(CCN[C@@H](c2ncc[nH]2)c2ccccc2)CC1(F)F ZINC000658222290 1119704901 /nfs/dbraw/zinc/70/49/01/1119704901.db2.gz QMUNGPATPPCVDG-UKRRQHHQSA-N 0 1 291.345 3.524 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@@H]2CCc3ccc(O)cc32)s1 ZINC000658239617 1119710473 /nfs/dbraw/zinc/71/04/73/1119710473.db2.gz NNELNMRVKRXTMJ-ZUZCIYMTSA-N 0 1 288.416 3.804 20 0 CHADMN CC[C@@H](N[C@H]1c2cc(C)ccc2C[C@@H]1C)c1ccn(C)n1 ZINC000658245802 1119711789 /nfs/dbraw/zinc/71/17/89/1119711789.db2.gz VQTBVRVXZFFTBU-FDQGKXFDSA-N 0 1 283.419 3.703 20 0 CHADMN COc1ccsc1[C@H](C)N[C@H]1CCc2ccc(O)cc21 ZINC000658234984 1119712543 /nfs/dbraw/zinc/71/25/43/1119712543.db2.gz BTJNUPVZYOUOFV-HZMBPMFUSA-N 0 1 289.400 3.800 20 0 CHADMN CO[C@H](CN[C@H](C)c1nc(C)sc1C)C1CCCC1 ZINC000658313530 1119722036 /nfs/dbraw/zinc/72/20/36/1119722036.db2.gz DEJPMYXYQVCXDF-QMTHXVAHSA-N 0 1 282.453 3.616 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc2c(s1)CCCC2)c1nccn1C ZINC000658335733 1119726388 /nfs/dbraw/zinc/72/63/88/1119726388.db2.gz FUHDNKYKZOFYHB-NWDGAFQWSA-N 0 1 289.448 3.772 20 0 CHADMN C[C@H](N[C@H]1CCCc2c3ccccc3[nH]c21)c1nccn1C ZINC000658337730 1119727677 /nfs/dbraw/zinc/72/76/77/1119727677.db2.gz GINRBLNGHFYSAK-LRDDRELGSA-N 0 1 294.402 3.630 20 0 CHADMN CC[C@H](NCc1cccc(OC)c1C)c1ccc(F)cn1 ZINC000658351102 1119729603 /nfs/dbraw/zinc/72/96/03/1119729603.db2.gz BEIBWASOJSPOKO-HNNXBMFYSA-N 0 1 288.366 3.779 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@H](c2ccccc2)[C@H](C)O)s1 ZINC000658360035 1119731222 /nfs/dbraw/zinc/73/12/22/1119731222.db2.gz GULPUSSVVOWCQG-HUBLWGQQSA-N 0 1 290.432 3.533 20 0 CHADMN C[C@H](O)[C@H](N[C@@H](C)c1ccc(Cl)cn1)c1ccccc1 ZINC000658363445 1119732244 /nfs/dbraw/zinc/73/22/44/1119732244.db2.gz VQYPTQUOZVKJIS-MKBNYLNASA-N 0 1 290.794 3.508 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnnc1)c1cccc(C(F)(F)F)c1 ZINC000924530556 1119740119 /nfs/dbraw/zinc/74/01/19/1119740119.db2.gz ICJIBKAKGSQGEE-MNOVXSKESA-N 0 1 295.308 3.907 20 0 CHADMN COCc1csc(CN2CC(Cc3cccs3)C2)c1 ZINC000628479244 1128865709 /nfs/dbraw/zinc/86/57/09/1128865709.db2.gz GEOYDKPPURXFAX-UHFFFAOYSA-N 0 1 293.457 3.631 20 0 CHADMN Cc1nc(C)c(CNC[C@@H](c2ccccc2)C(F)(F)F)o1 ZINC000628241027 1119742218 /nfs/dbraw/zinc/74/22/18/1119742218.db2.gz FJHZBZKMXOWXQF-ZDUSSCGKSA-N 0 1 298.308 3.727 20 0 CHADMN CC1(NCc2csc(C(F)(F)F)n2)CCCCC1 ZINC000892460476 1119744256 /nfs/dbraw/zinc/74/42/56/1119744256.db2.gz QJUKLIMFRPKQHH-UHFFFAOYSA-N 0 1 278.343 3.974 20 0 CHADMN CCSc1ccc([C@@H](C)N[C@@H](C)c2ccnn2C)cc1 ZINC000192818691 1119743894 /nfs/dbraw/zinc/74/38/94/1119743894.db2.gz ORCCPSVZVDQMDO-OLZOCXBDSA-N 0 1 289.448 3.944 20 0 CHADMN Cc1cc(CN2CC[C@H]3CCC[C@@H]32)ncc1Br ZINC000628242082 1119745180 /nfs/dbraw/zinc/74/51/80/1119745180.db2.gz RGDKLYKPQJQCHR-RISCZKNCSA-N 0 1 295.224 3.527 20 0 CHADMN CCn1ccnc1CN[C@@H](CC(C)C)c1ccccc1 ZINC000051922368 1119763846 /nfs/dbraw/zinc/76/38/46/1119763846.db2.gz PPWYBJJGWRVSES-INIZCTEOSA-N 0 1 271.408 3.780 20 0 CHADMN CCn1ccnc1CN[C@@H](c1cccs1)C1CCCC1 ZINC000051923136 1119764132 /nfs/dbraw/zinc/76/41/32/1119764132.db2.gz NYXIHKQLRASIEG-MRXNPFEDSA-N 0 1 289.448 3.986 20 0 CHADMN C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1cccc2c1OCO2 ZINC000151036637 1119766936 /nfs/dbraw/zinc/76/69/36/1119766936.db2.gz KWJMKAWLRGJAIA-PIGZYNQJSA-N 0 1 299.345 3.578 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1C[C@H]1c1ccccc1C ZINC000926647457 1119767790 /nfs/dbraw/zinc/76/77/90/1119767790.db2.gz BYDIUWZPUNIYQJ-HRCADAONSA-N 0 1 282.387 3.815 20 0 CHADMN Cc1cc(CNCc2cnn(Cc3ccccc3)c2)cs1 ZINC000394487976 1119771877 /nfs/dbraw/zinc/77/18/77/1119771877.db2.gz AJIJOKOUPPMLCU-UHFFFAOYSA-N 0 1 297.427 3.591 20 0 CHADMN CCc1cccc(CN[C@H](C)c2cc(OC)ccn2)c1 ZINC000926654614 1119774981 /nfs/dbraw/zinc/77/49/81/1119774981.db2.gz GGVRJQDCTCBOKC-CYBMUJFWSA-N 0 1 270.376 3.503 20 0 CHADMN C[C@H](C[S@@](C)=O)N(C)Cc1ccc(C2CCCC2)cc1 ZINC000343823161 1119785319 /nfs/dbraw/zinc/78/53/19/1119785319.db2.gz PKIBHSNKUUBKSL-JLTOFOAXSA-N 0 1 293.476 3.543 20 0 CHADMN COc1cc2ccccc2cc1CN(C)CC1=CCSC1 ZINC000668775147 1119788979 /nfs/dbraw/zinc/78/89/79/1119788979.db2.gz PWIPOBLYPPQGDP-UHFFFAOYSA-N 0 1 299.439 3.953 20 0 CHADMN C#CCN(CC(=O)Nc1c(C)cccc1C)C1CCCCC1 ZINC000065960784 1119795764 /nfs/dbraw/zinc/79/57/64/1119795764.db2.gz LFEQDAOBZNPZPI-UHFFFAOYSA-N 0 1 298.430 3.510 20 0 CHADMN FC(F)(F)CC1CN(Cc2ccc3[nH]ccc3c2)C1 ZINC000628306876 1119810425 /nfs/dbraw/zinc/81/04/25/1119810425.db2.gz BIGADKOGRUFWPW-UHFFFAOYSA-N 0 1 268.282 3.552 20 0 CHADMN O=C(NOC1CCCCC1)[C@H]1CCCc2sccc21 ZINC000779317651 1128870896 /nfs/dbraw/zinc/87/08/96/1128870896.db2.gz QRRVSRYJPCROHL-ZDUSSCGKSA-N 0 1 279.405 3.549 20 0 CHADMN COc1ccnc([C@@H](C)NCc2cc(C)cc(C)c2)c1 ZINC000926696938 1119821701 /nfs/dbraw/zinc/82/17/01/1119821701.db2.gz VKZHDPLQUQCCEB-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1cc(C)c(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)cc1C ZINC000235838211 1119827115 /nfs/dbraw/zinc/82/71/15/1119827115.db2.gz FTVFRVNRPCLJRF-INIZCTEOSA-N 0 1 289.419 3.689 20 0 CHADMN COc1ccc(CN(C)C/C=C\c2ccccc2)c(OC)c1 ZINC000612868254 1119834564 /nfs/dbraw/zinc/83/45/64/1119834564.db2.gz DWWFDIBHBXEPSC-YFHOEESVSA-N 0 1 297.398 3.849 20 0 CHADMN FCCN[C@H]1CCSc2ccc(Br)cc21 ZINC000281176644 1119847267 /nfs/dbraw/zinc/84/72/67/1119847267.db2.gz WQXRDLPKKKNPIR-JTQLQIEISA-N 0 1 290.201 3.545 20 0 CHADMN FCCN[C@@H]1CCSc2ccc(Br)cc21 ZINC000281176647 1119847491 /nfs/dbraw/zinc/84/74/91/1119847491.db2.gz WQXRDLPKKKNPIR-SNVBAGLBSA-N 0 1 290.201 3.545 20 0 CHADMN CC(C)N1CCC[C@H]1c1nc(CC2CC(C)(C)C2)no1 ZINC000924078528 1119852393 /nfs/dbraw/zinc/85/23/93/1119852393.db2.gz FOWSQTBVVQYDFZ-ZDUSSCGKSA-N 0 1 277.412 3.594 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)C1CCC2(CC2)CC1 ZINC000613035326 1119853625 /nfs/dbraw/zinc/85/36/25/1119853625.db2.gz PGPOKPFAVJLSFQ-UHFFFAOYSA-N 0 1 279.767 3.955 20 0 CHADMN Cc1c[nH]nc1CN1CCC(CCc2ccc(C)cc2)CC1 ZINC000685833373 1119853848 /nfs/dbraw/zinc/85/38/48/1119853848.db2.gz FZTFWGNIMYDKEA-UHFFFAOYSA-N 0 1 297.446 3.871 20 0 CHADMN Cc1cn[nH]c1C[N@@H+](C)CCc1cccc2ccccc21 ZINC000685835025 1119854913 /nfs/dbraw/zinc/85/49/13/1119854913.db2.gz UFPJWCNYTIZKIU-UHFFFAOYSA-N 0 1 279.387 3.546 20 0 CHADMN Cc1c[nH]nc1CN(C)CCc1cccc2ccccc21 ZINC000685835025 1119854924 /nfs/dbraw/zinc/85/49/24/1119854924.db2.gz UFPJWCNYTIZKIU-UHFFFAOYSA-N 0 1 279.387 3.546 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1ccn(C)n1)c1ccc(F)cc1 ZINC000414054035 1119867911 /nfs/dbraw/zinc/86/79/11/1119867911.db2.gz BHUKIRJFZFXWSQ-MLGOLLRUSA-N 0 1 275.371 3.607 20 0 CHADMN C[C@@H]1C[N@@H+](C/C=C\c2ccc(F)c(F)c2)CCC1(F)F ZINC000685849308 1119870997 /nfs/dbraw/zinc/87/09/97/1119870997.db2.gz PAWAULQEIMXCSS-OTDNITJGSA-N 0 1 287.300 3.955 20 0 CHADMN C[C@@H]1CN(C/C=C\c2ccc(F)c(F)c2)CCC1(F)F ZINC000685849308 1119870998 /nfs/dbraw/zinc/87/09/98/1119870998.db2.gz PAWAULQEIMXCSS-OTDNITJGSA-N 0 1 287.300 3.955 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)C1CC1)c1cc2n(n1)CCC2 ZINC000414055790 1119871558 /nfs/dbraw/zinc/87/15/58/1119871558.db2.gz CZLSMOYQEAOKAU-UGSOOPFHSA-N 0 1 281.403 3.631 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@H](C)c1cc2n(n1)CCC2 ZINC000414061196 1119874612 /nfs/dbraw/zinc/87/46/12/1119874612.db2.gz YTDFCFLBSCBLCB-ZIAGYGMSSA-N 0 1 269.392 3.550 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2cc3n(n2)CCC3)cc1 ZINC000414062863 1119874752 /nfs/dbraw/zinc/87/47/52/1119874752.db2.gz DGSMEQVQENPHLY-KGLIPLIRSA-N 0 1 269.392 3.550 20 0 CHADMN C[C@H](N[C@H](c1cccs1)C1CC1)c1cc2n(n1)CCC2 ZINC000414061526 1119875003 /nfs/dbraw/zinc/87/50/03/1119875003.db2.gz KIZMRLUNWJZSPU-ZBEGNZNMSA-N 0 1 287.432 3.693 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(Cl)cn2)c(C)c1 ZINC000414092016 1119892304 /nfs/dbraw/zinc/89/23/04/1119892304.db2.gz DRYWJWLSPLLVCN-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CC[C@@H](C)c1ccc([C@@H](NC(=O)CN(C)C)C(C)C)cc1 ZINC000613323268 1119902528 /nfs/dbraw/zinc/90/25/28/1119902528.db2.gz XIOMSSMVYAKXQM-KDOFPFPSSA-N 0 1 290.451 3.575 20 0 CHADMN CC[C@@H](CN[C@H](C)c1csc(-c2ccccc2)n1)OC ZINC000414119683 1119906332 /nfs/dbraw/zinc/90/63/32/1119906332.db2.gz DONOBAZBMHCJJD-OCCSQVGLSA-N 0 1 290.432 3.886 20 0 CHADMN Cc1ccccc1[C@@H](N[C@H](C)c1ccn(C)n1)C(C)C ZINC000414126886 1119909051 /nfs/dbraw/zinc/90/90/51/1119909051.db2.gz RPIKHXAHXJSUJT-PBHICJAKSA-N 0 1 271.408 3.776 20 0 CHADMN C[C@H](N[C@@H](CO)c1c(Cl)cccc1Cl)[C@H]1C[C@H]1C ZINC000414152488 1119918669 /nfs/dbraw/zinc/91/86/69/1119918669.db2.gz QISVNJGERLJXEL-QYTUQVAYSA-N 0 1 288.218 3.661 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@H]2N[C@H](C)c1ccn(C)n1 ZINC000414175487 1119927189 /nfs/dbraw/zinc/92/71/89/1119927189.db2.gz IHQHTVWIXBXXDO-XJKCOSOUSA-N 0 1 269.392 3.628 20 0 CHADMN Cc1ccc(CCCN[C@@H](C)c2ncco2)c(C)c1 ZINC000924575770 1119935326 /nfs/dbraw/zinc/93/53/26/1119935326.db2.gz NJCRLGXMWQGDEL-AWEZNQCLSA-N 0 1 258.365 3.575 20 0 CHADMN COc1ccccc1CN(Cc1cccc(F)c1)C1CC1 ZINC000613484634 1119938588 /nfs/dbraw/zinc/93/85/88/1119938588.db2.gz WTMPDBLZFGYJGV-UHFFFAOYSA-N 0 1 285.362 3.999 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1Cc1cn2ccccc2n1 ZINC000613493122 1119940970 /nfs/dbraw/zinc/94/09/70/1119940970.db2.gz DDVUZSHFKQVNRX-SFHVURJKSA-N 0 1 291.398 3.980 20 0 CHADMN CC1(C)CCC[C@@H](CC(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000332762486 1119941599 /nfs/dbraw/zinc/94/15/99/1119941599.db2.gz RKKSKPHUMUHMLO-JSGCOSHPSA-N 0 1 289.423 3.510 20 0 CHADMN CC[C@@H](N[C@H](CC)c1ccccc1)c1ccn(C)n1 ZINC000414223883 1119945010 /nfs/dbraw/zinc/94/50/10/1119945010.db2.gz PVEHIXVLWOPLRV-HUUCEWRRSA-N 0 1 257.381 3.612 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1nccs1 ZINC000414226686 1119946611 /nfs/dbraw/zinc/94/66/11/1119946611.db2.gz UOMRGMNVDVSXAZ-TUAOUCFPSA-N 0 1 282.453 3.776 20 0 CHADMN CC[C@@H](C)N(C)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000170760640 1119949602 /nfs/dbraw/zinc/94/96/02/1119949602.db2.gz XTMBTONZCXWJOF-SNVBAGLBSA-N 0 1 291.782 3.601 20 0 CHADMN C[C@@H](c1ccccc1Cl)N1CCCO[C@@H](C)C1 ZINC000170764281 1119951888 /nfs/dbraw/zinc/95/18/88/1119951888.db2.gz QZYNTPUHHIHTDV-RYUDHWBXSA-N 0 1 253.773 3.512 20 0 CHADMN CC[C@@H](C)C[C@H](CC)NCc1nccc(C(F)(F)F)n1 ZINC000414256654 1119958211 /nfs/dbraw/zinc/95/82/11/1119958211.db2.gz NZGVFUFUCSKXGB-MNOVXSKESA-N 0 1 289.345 3.800 20 0 CHADMN CCn1ccnc1NCc1cccc(OC2CCCC2)c1 ZINC000414309528 1119975067 /nfs/dbraw/zinc/97/50/67/1119975067.db2.gz XXGSEITWNPKKTL-UHFFFAOYSA-N 0 1 285.391 3.837 20 0 CHADMN CCn1ccnc1NCc1ccc(F)c(C(F)(F)F)c1 ZINC000414310142 1119976788 /nfs/dbraw/zinc/97/67/88/1119976788.db2.gz ZDJLKGFBERNFJZ-UHFFFAOYSA-N 0 1 287.260 3.673 20 0 CHADMN C[C@H](C[C@@H]1CCOC1)Nc1ccnc2cc(F)ccc21 ZINC000685910096 1119982978 /nfs/dbraw/zinc/98/29/78/1119982978.db2.gz BZJLSUPOQRYQBN-NEPJUHHUSA-N 0 1 274.339 3.601 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cc(C)cc(C)c2)nc1 ZINC000134299079 1119989361 /nfs/dbraw/zinc/98/93/61/1119989361.db2.gz PDYZNXFGAZHFAI-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN Clc1ccc(CN2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186451133 1119989549 /nfs/dbraw/zinc/98/95/49/1119989549.db2.gz VJRZQNHTSGKMMS-GOSISDBHSA-N 0 1 299.801 3.971 20 0 CHADMN CCOc1ccccc1[C@@H](CC)NCc1cnc(CC)nc1 ZINC000414341354 1119990407 /nfs/dbraw/zinc/99/04/07/1119990407.db2.gz LFBHZJIMZUDNSG-MRXNPFEDSA-N 0 1 299.418 3.679 20 0 CHADMN CCc1ncc(CN[C@H](C)c2cc(C)cc(C)c2)cn1 ZINC000414339975 1119991517 /nfs/dbraw/zinc/99/15/17/1119991517.db2.gz MWSPTKNLGSDDJF-CQSZACIVSA-N 0 1 269.392 3.507 20 0 CHADMN CCN(Cc1ccoc1C)[C@H](C)c1cccc(O)c1 ZINC000414370560 1120002194 /nfs/dbraw/zinc/00/21/94/1120002194.db2.gz KPFIJBRIDWQFSI-GFCCVEGCSA-N 0 1 259.349 3.877 20 0 CHADMN Cc1ccc(C)c([C@H](C)N(C)Cc2ccc(C)nn2)c1 ZINC000414374461 1120004496 /nfs/dbraw/zinc/00/44/96/1120004496.db2.gz VVGZAGKRVFLOTP-HNNXBMFYSA-N 0 1 269.392 3.595 20 0 CHADMN Cc1ccc(CN(Cc2cccc(F)c2)C2CCCC2)nn1 ZINC000414376048 1120005762 /nfs/dbraw/zinc/00/57/62/1120005762.db2.gz YYBPTCZBQSQWGB-UHFFFAOYSA-N 0 1 299.393 3.869 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cccc(N3CCCC3)c2)nc1 ZINC000134404830 1120006066 /nfs/dbraw/zinc/00/60/66/1120006066.db2.gz XZKZRRASWGONOR-INIZCTEOSA-N 0 1 295.430 3.841 20 0 CHADMN Cc1ccc(CN[C@@H](c2cccc(F)c2)C2CCCC2)nn1 ZINC000414377469 1120007765 /nfs/dbraw/zinc/00/77/65/1120007765.db2.gz JEUIRRPBVALBEI-GOSISDBHSA-N 0 1 299.393 3.945 20 0 CHADMN CC[C@@H](C)N(C)CC(=O)Nc1cccc2ccccc21 ZINC000068449606 1120013812 /nfs/dbraw/zinc/01/38/12/1120013812.db2.gz LAZXJVOEZXEKHN-CYBMUJFWSA-N 0 1 270.376 3.509 20 0 CHADMN CC[C@H](C)N(C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000068449619 1120014215 /nfs/dbraw/zinc/01/42/15/1120014215.db2.gz MRMKZZGONACQDS-VIFPVBQESA-N 0 1 289.206 3.662 20 0 CHADMN Cc1scc(CNCc2nn(C)c3ccccc23)c1C ZINC000399918739 1120027982 /nfs/dbraw/zinc/02/79/82/1120027982.db2.gz JIFVPTLQHJGOAL-UHFFFAOYSA-N 0 1 285.416 3.541 20 0 CHADMN Cc1ccc(N(C)C(=O)c2c(O)cccc2F)cc1Cl ZINC000186357826 1120033853 /nfs/dbraw/zinc/03/38/53/1120033853.db2.gz LDFNOHAYAHJTBB-UHFFFAOYSA-N 0 1 293.725 3.770 20 0 CHADMN CC(C)Cc1ccc(CNCc2ccc(F)c(F)c2)cn1 ZINC000892674795 1120047387 /nfs/dbraw/zinc/04/73/87/1120047387.db2.gz YMXOULIAMCVHSD-UHFFFAOYSA-N 0 1 290.357 3.848 20 0 CHADMN Cc1ccc2nc(N)n(-c3cccc(Cl)c3F)c2c1 ZINC000094660715 1120054236 /nfs/dbraw/zinc/05/42/36/1120054236.db2.gz TXTSAYHKVHDRFJ-UHFFFAOYSA-N 0 1 275.714 3.709 20 0 CHADMN Cc1cccc2nc(CNC(=O)/C=C\C3CCCCC3)[nH]c21 ZINC000765815235 1120055148 /nfs/dbraw/zinc/05/51/48/1120055148.db2.gz TVIQILZEXFAWQI-KHPPLWFESA-N 0 1 297.402 3.624 20 0 CHADMN CCC[C@@H](C[N@H+]1CCCc2n[nH]cc2C1)c1ccccc1 ZINC000668840802 1120063181 /nfs/dbraw/zinc/06/31/81/1120063181.db2.gz JEKJBEZITWBJQM-INIZCTEOSA-N 0 1 283.419 3.742 20 0 CHADMN CCOc1ccc(CN[C@@H]2CCc3cc(C)ccc32)o1 ZINC000892682382 1120067577 /nfs/dbraw/zinc/06/75/77/1120067577.db2.gz YINJGCXRTDDOED-MRXNPFEDSA-N 0 1 271.360 3.764 20 0 CHADMN CO[C@@H](C)CN[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000182419262 1120118830 /nfs/dbraw/zinc/11/88/30/1120118830.db2.gz FDVTXFBRIRFOQV-YUMQZZPRSA-N 0 1 280.170 3.818 20 0 CHADMN CCCCc1ccc(OC(=O)C23CCCN2CCC3)cc1 ZINC001127634168 1128888201 /nfs/dbraw/zinc/88/82/01/1128888201.db2.gz BJFMYTZVEQULMO-UHFFFAOYSA-N 0 1 287.403 3.563 20 0 CHADMN COC(C)(C)[C@H](C)N[C@@H](C)c1csc(C(C)C)n1 ZINC000903329323 1120082980 /nfs/dbraw/zinc/08/29/80/1120082980.db2.gz BQJGYOBSKPADKR-QWRGUYRKSA-N 0 1 270.442 3.731 20 0 CHADMN CCN(Cc1ccc(C)cc1)C(=O)c1cc(C(C)C)[nH]n1 ZINC000613585101 1120082894 /nfs/dbraw/zinc/08/28/94/1120082894.db2.gz JNACPXJRECYKSB-UHFFFAOYSA-N 0 1 285.391 3.504 20 0 CHADMN CC[C@H](NCc1ccc(F)c(C)c1)c1cccc(OC)n1 ZINC000924593316 1120085464 /nfs/dbraw/zinc/08/54/64/1120085464.db2.gz IEMFMSAYHXHLET-HNNXBMFYSA-N 0 1 288.366 3.779 20 0 CHADMN Cc1cccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c21 ZINC000178850103 1120086867 /nfs/dbraw/zinc/08/68/67/1120086867.db2.gz ZCVPBBWRLTYZJQ-UHFFFAOYSA-N 0 1 297.333 3.582 20 0 CHADMN Cc1csc(CNc2ccc(Cl)c(CN(C)C)c2)n1 ZINC000282280597 1120090960 /nfs/dbraw/zinc/09/09/60/1120090960.db2.gz QJIAYJBSBDELPC-UHFFFAOYSA-N 0 1 295.839 3.779 20 0 CHADMN CCC(CC)(CC)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000671902691 1120091336 /nfs/dbraw/zinc/09/13/36/1120091336.db2.gz KVSWNTLHHPVIKC-UHFFFAOYSA-N 0 1 291.439 3.641 20 0 CHADMN COC[C@]1(C)CN([C@@H](C)c2ccc3ccccc3c2)CCO1 ZINC000626173630 1120092615 /nfs/dbraw/zinc/09/26/15/1120092615.db2.gz ZEOLYBKIUIAPSM-KXBFYZLASA-N 0 1 299.414 3.638 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1ccc(F)c(F)c1 ZINC000110058956 1120094620 /nfs/dbraw/zinc/09/46/20/1120094620.db2.gz HHOHDAQTKHOGCO-MRXNPFEDSA-N 0 1 277.289 3.881 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1ccccc1F ZINC000110058681 1120095238 /nfs/dbraw/zinc/09/52/38/1120095238.db2.gz HHOJHBDSCHLBIU-MRXNPFEDSA-N 0 1 259.299 3.742 20 0 CHADMN COc1ccc([C@H](N[C@H](C)c2cc(C)n(C)n2)C2CC2)cc1 ZINC000282299310 1120109691 /nfs/dbraw/zinc/10/96/91/1120109691.db2.gz SNQOBYSXXNBMRT-FZKQIMNGSA-N 0 1 299.418 3.539 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](C/C=C\c1ccc(Cl)cc1)C1CCC1 ZINC000659794995 1120112111 /nfs/dbraw/zinc/11/21/11/1120112111.db2.gz CXBPMXMLUOPJTN-VSQXVHSFSA-N 0 1 293.794 3.681 20 0 CHADMN CCCc1ccc(CNc2cccn3cncc23)cc1 ZINC001168635537 1120112242 /nfs/dbraw/zinc/11/22/42/1120112242.db2.gz MMSWDZGLLIPYCZ-UHFFFAOYSA-N 0 1 265.360 3.899 20 0 CHADMN CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000659803114 1120113071 /nfs/dbraw/zinc/11/30/71/1120113071.db2.gz CFZUEUPBOPJHMG-WCQYABFASA-N 0 1 279.355 3.677 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@@H]2CC2CCC2)o1 ZINC000659803360 1120113207 /nfs/dbraw/zinc/11/32/07/1120113207.db2.gz GRBGGPFLXSAILT-CYBMUJFWSA-N 0 1 277.364 3.523 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@H]2CC2CCC2)s1 ZINC000659803622 1120113477 /nfs/dbraw/zinc/11/34/77/1120113477.db2.gz LFDVEZKVHRFLDZ-ZDUSSCGKSA-N 0 1 293.432 3.991 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000659804137 1120114292 /nfs/dbraw/zinc/11/42/92/1120114292.db2.gz STKPEUIZIZTWAM-INIZCTEOSA-N 0 1 287.403 3.930 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000659804487 1120114639 /nfs/dbraw/zinc/11/46/39/1120114639.db2.gz YBNWVIOGLVWUBV-GJZGRUSLSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)Oc1ccnc(CN(C)[C@@H]2CCc3ccccc32)c1 ZINC000649485021 1128891311 /nfs/dbraw/zinc/89/13/11/1128891311.db2.gz VTBXXPFPDUOFOB-LJQANCHMSA-N 0 1 296.414 3.988 20 0 CHADMN CCOc1cc(N[C@H]2CCCc3[nH]ncc32)ccc1C ZINC000353603148 1128891393 /nfs/dbraw/zinc/89/13/93/1128891393.db2.gz GBIKAQDZNPHVOY-AWEZNQCLSA-N 0 1 271.364 3.606 20 0 CHADMN CCN(CCC=C(C)C)CC(=O)Nc1c(F)cccc1F ZINC000659825970 1120120417 /nfs/dbraw/zinc/12/04/17/1120120417.db2.gz HASNEXPCKJSROS-UHFFFAOYSA-N 0 1 296.361 3.582 20 0 CHADMN C[C@@H](N[C@H]1CC1(C)C)c1nc(C(F)(F)F)cs1 ZINC000343839383 1120120616 /nfs/dbraw/zinc/12/06/16/1120120616.db2.gz MWBJOVJCQLIAKT-RQJHMYQMSA-N 0 1 264.316 3.611 20 0 CHADMN CCc1noc(CN2CCC[C@H]2CCCc2ccccc2)n1 ZINC000135358672 1120121302 /nfs/dbraw/zinc/12/13/02/1120121302.db2.gz BNONIEDECZMIQO-MRXNPFEDSA-N 0 1 299.418 3.619 20 0 CHADMN CCCCN(CC)Cc1c(F)c(F)ccc1OCC ZINC001143485531 1120128962 /nfs/dbraw/zinc/12/89/62/1120128962.db2.gz BGDCKHYMSQQLLN-UHFFFAOYSA-N 0 1 271.351 3.986 20 0 CHADMN C[C@H](NCc1ccc2c(c1)OCO2)c1cccc(F)c1F ZINC000183205483 1120131132 /nfs/dbraw/zinc/13/11/32/1120131132.db2.gz IUDJGNCLCLJVRF-JTQLQIEISA-N 0 1 291.297 3.544 20 0 CHADMN C[C@H](NCCOCc1ccccc1)c1cccc(F)c1F ZINC000183276896 1120132092 /nfs/dbraw/zinc/13/20/92/1120132092.db2.gz GFKLEDRZCWYDJP-ZDUSSCGKSA-N 0 1 291.341 3.832 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN(C)CCCC1CCC1 ZINC000659833652 1120133978 /nfs/dbraw/zinc/13/39/78/1120133978.db2.gz ICAIPTGZUALFOR-UHFFFAOYSA-N 0 1 288.435 3.754 20 0 CHADMN CC[C@@H](CN[C@H](C)c1ncc[nH]1)Oc1ccccc1Cl ZINC000353519324 1120134280 /nfs/dbraw/zinc/13/42/80/1120134280.db2.gz MVKWYFWCAXMWSQ-NEPJUHHUSA-N 0 1 293.798 3.571 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2cccc(OCC)c2)o1 ZINC000892756551 1120136636 /nfs/dbraw/zinc/13/66/36/1120136636.db2.gz BLPKLPAUUJZHOL-ZDUSSCGKSA-N 0 1 289.375 3.928 20 0 CHADMN Cc1ccc(OCCN(C)Cc2ccccc2F)cc1 ZINC000301606083 1120142795 /nfs/dbraw/zinc/14/27/95/1120142795.db2.gz PYGHHCSCHTWDPP-UHFFFAOYSA-N 0 1 273.351 3.645 20 0 CHADMN c1nc2c(s1)CCC[C@@H]2NC[C@H]1CCC2(CCCC2)O1 ZINC000624010028 1120147427 /nfs/dbraw/zinc/14/74/27/1120147427.db2.gz GIUUXMQITZYUHE-OLZOCXBDSA-N 0 1 292.448 3.602 20 0 CHADMN CC[C@H](CN[C@@H](C)c1ncc[nH]1)Oc1cccc(Cl)c1 ZINC000353629414 1120148364 /nfs/dbraw/zinc/14/83/64/1120148364.db2.gz FSBFLDUNAXLYCC-WCQYABFASA-N 0 1 293.798 3.571 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)N(Cc2ccncc2F)C1 ZINC000449321622 1128894126 /nfs/dbraw/zinc/89/41/26/1128894126.db2.gz TULCUSFGWOHMAQ-CXAGYDPISA-N 0 1 270.351 3.804 20 0 CHADMN Cc1nn(C)c(C)c1CNCc1cc(C(C)(C)C)oc1C ZINC000892847692 1120150600 /nfs/dbraw/zinc/15/06/00/1120150600.db2.gz XFPONEFZEGJHJI-UHFFFAOYSA-N 0 1 289.423 3.526 20 0 CHADMN Fc1cccc(F)c1-c1ccc(CN2CC3(CC3)C2)o1 ZINC000449369577 1128894610 /nfs/dbraw/zinc/89/46/10/1128894610.db2.gz DTHLGGAOFYNNAK-UHFFFAOYSA-N 0 1 275.298 3.821 20 0 CHADMN C[C@H]1CCCCN1C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000929235378 1120156015 /nfs/dbraw/zinc/15/60/15/1120156015.db2.gz ZGRKZYNBFHWCNA-VIFPVBQESA-N 0 1 293.317 3.515 20 0 CHADMN FC(F)(F)CCCNCc1csc(C(F)(F)F)n1 ZINC000893056780 1120210585 /nfs/dbraw/zinc/21/05/85/1120210585.db2.gz QUJKGUVOTFHMLP-UHFFFAOYSA-N 0 1 292.248 3.594 20 0 CHADMN CN(C)/C=C/c1ccncc1N[C@H]1CCNc2ccccc21 ZINC001168648072 1120158707 /nfs/dbraw/zinc/15/87/07/1120158707.db2.gz HSRMQXBHOZBXTJ-KQPPXVQYSA-N 0 1 294.402 3.583 20 0 CHADMN C[C@@H](c1cn(-c2ccccc2)nn1)N(C)CC1CCCCC1 ZINC000472762255 1120164953 /nfs/dbraw/zinc/16/49/53/1120164953.db2.gz JWRMTICIJOMEKS-HNNXBMFYSA-N 0 1 298.434 3.840 20 0 CHADMN Cc1ccc(C)c(N[C@H]2CCCc3cccnc32)n1 ZINC001168649733 1120165077 /nfs/dbraw/zinc/16/50/77/1120165077.db2.gz ICNWXOHELVAPLY-AWEZNQCLSA-N 0 1 253.349 3.583 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NCc1cc(C(C)(C)C)oc1C ZINC000892936066 1120166022 /nfs/dbraw/zinc/16/60/22/1120166022.db2.gz NZXSRKPWQFNLEZ-LLVKDONJSA-N 0 1 289.423 3.778 20 0 CHADMN Cn1ccc2c1nccc2N[C@@H]1CCNc2ccccc21 ZINC001168651358 1120168560 /nfs/dbraw/zinc/16/85/60/1120168560.db2.gz YZROCVDIFPWLOH-OAHLLOKOSA-N 0 1 278.359 3.542 20 0 CHADMN COc1ccc(-c2nccc3c2ccn3C)c(C)c1 ZINC001239824464 1120168596 /nfs/dbraw/zinc/16/85/96/1120168596.db2.gz ORWACUDWGLPCFT-UHFFFAOYSA-N 0 1 252.317 3.557 20 0 CHADMN CCc1ccc([C@@H]2C[C@H](C)CCN2Cc2cnn(C)c2)o1 ZINC000174447734 1120169173 /nfs/dbraw/zinc/16/91/73/1120169173.db2.gz IZMGAKRHWIPSMP-CJNGLKHVSA-N 0 1 287.407 3.549 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cn3ccccc3n2)c(C)c1 ZINC000112345907 1120176175 /nfs/dbraw/zinc/17/61/75/1120176175.db2.gz YALIGDAAAPSWHJ-OAHLLOKOSA-N 0 1 279.387 3.802 20 0 CHADMN CCCCn1cc(CN[C@@H](C)c2cncc(C)c2)c(C)n1 ZINC000343845471 1120177597 /nfs/dbraw/zinc/17/75/97/1120177597.db2.gz VVIWFEOQADXTNQ-AWEZNQCLSA-N 0 1 286.423 3.546 20 0 CHADMN CC[C@](C)(NCc1ccnc(OC)c1F)c1ccccc1 ZINC000892973918 1120185225 /nfs/dbraw/zinc/18/52/25/1120185225.db2.gz YNAZOBDXZSJCPC-KRWDZBQOSA-N 0 1 288.366 3.644 20 0 CHADMN Cc1cc(-c2[nH]ccc3ncnc2-3)cc(C)c1Cl ZINC001205037419 1120191853 /nfs/dbraw/zinc/19/18/53/1120191853.db2.gz RSLUEDXOVYHLCV-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN Cc1cc(-c2nccc3[nH]cnc32)cc(C)c1Cl ZINC001205037419 1120191855 /nfs/dbraw/zinc/19/18/55/1120191855.db2.gz RSLUEDXOVYHLCV-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN CCC1CCN(Cn2ccc(-c3ccc(F)cc3)n2)CC1 ZINC000728706108 1120195181 /nfs/dbraw/zinc/19/51/81/1120195181.db2.gz KJXDYAJCISNMMF-UHFFFAOYSA-N 0 1 287.382 3.769 20 0 CHADMN CCc1ccc(CCNCc2nnc(C(C)C)s2)cc1 ZINC000893009422 1120196050 /nfs/dbraw/zinc/19/60/50/1120196050.db2.gz PZKRDDRLUDQUEB-UHFFFAOYSA-N 0 1 289.448 3.556 20 0 CHADMN CC[C@@H](NCc1cncs1)c1ccccc1OC(F)F ZINC000135869590 1120197356 /nfs/dbraw/zinc/19/73/56/1120197356.db2.gz LYDFRFYUMLHRGZ-GFCCVEGCSA-N 0 1 298.358 3.985 20 0 CHADMN Cc1ncncc1[C@@H](C)NC1(c2cccc(Cl)c2)CC1 ZINC000565217133 1120198708 /nfs/dbraw/zinc/19/87/08/1120198708.db2.gz PZGWKJKJROAUBO-GFCCVEGCSA-N 0 1 287.794 3.778 20 0 CHADMN Cc1cc(C)cc(OCCNC(C)(C)c2nccs2)c1 ZINC000072662814 1120199111 /nfs/dbraw/zinc/19/91/11/1120199111.db2.gz MJLJIQPIJCLHBB-UHFFFAOYSA-N 0 1 290.432 3.664 20 0 CHADMN CCCc1nc(C)c(CN2CCC[C@@H]2c2cccc(C)n2)o1 ZINC000644673624 1120199105 /nfs/dbraw/zinc/19/91/05/1120199105.db2.gz QELOCALGHQZZJU-MRXNPFEDSA-N 0 1 299.418 3.976 20 0 CHADMN FC1(F)CCC[C@H]1NCCCCOc1ccccc1 ZINC000685473047 1120199122 /nfs/dbraw/zinc/19/91/22/1120199122.db2.gz GARCRYWYOILEET-CQSZACIVSA-N 0 1 269.335 3.623 20 0 CHADMN CC(C)[C@@H](NCc1cccc2c1OCC2)c1ccccn1 ZINC000921761334 1120201352 /nfs/dbraw/zinc/20/13/52/1120201352.db2.gz OVJHGNNOBNTXQB-QGZVFWFLSA-N 0 1 282.387 3.503 20 0 CHADMN CCCC[N@@H+](Cn1ccc(-c2ccc(F)cc2)n1)C1CC1 ZINC000728707793 1120203697 /nfs/dbraw/zinc/20/36/97/1120203697.db2.gz PLPSXSUAHMIZEC-UHFFFAOYSA-N 0 1 287.382 3.911 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2c(C)noc2C)c1 ZINC000073007147 1120205943 /nfs/dbraw/zinc/20/59/43/1120205943.db2.gz GIIXIRBNQQWHEV-LLVKDONJSA-N 0 1 274.364 3.541 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1ccc(C)c(C)c1 ZINC000073007326 1120206978 /nfs/dbraw/zinc/20/69/78/1120206978.db2.gz VZHOAGMDBAYYHE-LBPRGKRZSA-N 0 1 258.365 3.759 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1ccc(F)cc1C ZINC000073007576 1120207041 /nfs/dbraw/zinc/20/70/41/1120207041.db2.gz KMTSALWEAFPNDT-JTQLQIEISA-N 0 1 262.328 3.590 20 0 CHADMN Cc1ncc(CNC/C=C\c2c(C)cc(C)cc2C)o1 ZINC000631158129 1120208613 /nfs/dbraw/zinc/20/86/13/1120208613.db2.gz YQJWKOUCTAHQCK-WAYWQWQTSA-N 0 1 270.376 3.711 20 0 CHADMN Clc1sccc1CNC[C@H]1OCCc2ccccc21 ZINC000312752946 1120210543 /nfs/dbraw/zinc/21/05/43/1120210543.db2.gz YFJXPNNEYMRVIS-CQSZACIVSA-N 0 1 293.819 3.805 20 0 CHADMN COCc1cccc(-c2cc3nc[nH]c3c(C)c2)c1 ZINC001239934967 1120212049 /nfs/dbraw/zinc/21/20/49/1120212049.db2.gz AZOJSDKSMGIETK-UHFFFAOYSA-N 0 1 252.317 3.685 20 0 CHADMN C[C@H](c1cccc(Cl)c1)N1CCC[C@@H](n2cccn2)C1 ZINC000338724752 1120212570 /nfs/dbraw/zinc/21/25/70/1120212570.db2.gz JYJRBHOSXKMBHH-CZUORRHYSA-N 0 1 289.810 3.935 20 0 CHADMN CCS[C@@H]1CC[C@H](N(C)Cc2nc(C)cs2)C1 ZINC000088602515 1120216003 /nfs/dbraw/zinc/21/60/03/1120216003.db2.gz QFITWNAJQMWLDS-NWDGAFQWSA-N 0 1 270.467 3.558 20 0 CHADMN CC(C)=C1CC[C@@H](C)C[C@H]1N[C@@H]1CCCn2nc(C)nc21 ZINC000925502510 1120217999 /nfs/dbraw/zinc/21/79/99/1120217999.db2.gz LOHZRZLVKSVOPR-DAXOMENPSA-N 0 1 288.439 3.536 20 0 CHADMN COC1(CCNc2ccnc3cc(F)ccc32)CCC1 ZINC000338733041 1120222762 /nfs/dbraw/zinc/22/27/62/1120222762.db2.gz STUXSYJKJWAOGO-UHFFFAOYSA-N 0 1 274.339 3.745 20 0 CHADMN COCc1ccc(CNCc2ccc3[nH]c(C)c(C)c3c2)o1 ZINC000343850762 1120224500 /nfs/dbraw/zinc/22/45/00/1120224500.db2.gz KJJNHSDAOSOUJN-UHFFFAOYSA-N 0 1 298.386 3.814 20 0 CHADMN Cc1cnc(Cl)c(CN[C@H]2CCCc3[nH]ccc32)c1 ZINC000921814474 1120225432 /nfs/dbraw/zinc/22/54/32/1120225432.db2.gz BHIKGNDWXDPEFR-AWEZNQCLSA-N 0 1 275.783 3.539 20 0 CHADMN CC(C)CC1(CNCc2nnc(C3CC3)s2)CCC1 ZINC000893110755 1120226248 /nfs/dbraw/zinc/22/62/48/1120226248.db2.gz OHKMUWUXRABVNI-UHFFFAOYSA-N 0 1 279.453 3.722 20 0 CHADMN CCOc1ccccc1[C@@H](CC)NCc1cncs1 ZINC000136003292 1120227209 /nfs/dbraw/zinc/22/72/09/1120227209.db2.gz CMHDHZBHDFBCFJ-CQSZACIVSA-N 0 1 276.405 3.783 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2cc3cc(F)ccc3s2)n1 ZINC000843147787 1120235025 /nfs/dbraw/zinc/23/50/25/1120235025.db2.gz GCOOCYIQLODODW-GFCCVEGCSA-N 0 1 291.351 3.746 20 0 CHADMN CC(C)OCCCNc1ccc(C2C=NC(=S)N2)cc1 ZINC001168678863 1120235047 /nfs/dbraw/zinc/23/50/47/1120235047.db2.gz AEINPBIKVPYSMJ-UHFFFAOYSA-N 0 1 291.420 3.592 20 0 CHADMN CS[C@@H]1CCC[C@@H](NCc2nnc(C(C)(C)C)s2)C1 ZINC000921840210 1120236688 /nfs/dbraw/zinc/23/66/88/1120236688.db2.gz ZADFTBPAYAEMQC-GHMZBOCLSA-N 0 1 299.509 3.599 20 0 CHADMN COc1ccc(CN[C@@H]2CC(C)(C)c3ccccc32)nc1 ZINC000893145525 1120238021 /nfs/dbraw/zinc/23/80/21/1120238021.db2.gz YYPVMINJOUNEJF-QGZVFWFLSA-N 0 1 282.387 3.602 20 0 CHADMN O=C(c1ccc(F)cc1O)N1CC[C@H](C2CCCCC2)C1 ZINC000618185650 1128901411 /nfs/dbraw/zinc/90/14/11/1128901411.db2.gz VTGHNUNIRADWMY-ZDUSSCGKSA-N 0 1 291.366 3.574 20 0 CHADMN C[C@H](c1ccccn1)N(C)C/C=C/c1ccc(F)cc1 ZINC000182067425 1120244871 /nfs/dbraw/zinc/24/48/71/1120244871.db2.gz HBCBBPPPONCJEV-VBROQKIQSA-N 0 1 270.351 3.927 20 0 CHADMN CCSCc1ccc(-c2nc([C@H](N)C(C)C)no2)cc1 ZINC000843148728 1120249298 /nfs/dbraw/zinc/24/92/98/1120249298.db2.gz WFICMLRLQFRASI-CYBMUJFWSA-N 0 1 291.420 3.646 20 0 CHADMN CCN(CC)[C@H](C(=O)N(C)c1ccccc1)c1ccccc1 ZINC000111033726 1120249338 /nfs/dbraw/zinc/24/93/38/1120249338.db2.gz UMLCKTYCNQHIMV-SFHVURJKSA-N 0 1 296.414 3.733 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@@H](C)c2cccc(Cl)c2)n1 ZINC000843149936 1120251882 /nfs/dbraw/zinc/25/18/82/1120251882.db2.gz QRPSWKQBZBSZPB-JOYOIKCWSA-N 0 1 279.771 3.531 20 0 CHADMN C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCCC[C@@H](C)C1 ZINC000187966407 1120254362 /nfs/dbraw/zinc/25/43/62/1120254362.db2.gz UWNKQZWGVYHMRN-OLZOCXBDSA-N 0 1 294.826 3.789 20 0 CHADMN C[C@@H](C(=O)Nc1ccccc1Cl)N1CCCC[C@@H](C)C1 ZINC000187966407 1120254363 /nfs/dbraw/zinc/25/43/63/1120254363.db2.gz UWNKQZWGVYHMRN-OLZOCXBDSA-N 0 1 294.826 3.789 20 0 CHADMN CC/C(=C\c1nc([C@H](N)C(C)C)no1)c1ccc(C)cc1 ZINC000843151677 1120256781 /nfs/dbraw/zinc/25/67/81/1120256781.db2.gz GIPAZKHLEORQOA-QSOAKEGCSA-N 0 1 285.391 3.984 20 0 CHADMN C[C@@H](NC[C@@H](O)c1ccccc1)c1c(F)cccc1Cl ZINC000181747529 1128902543 /nfs/dbraw/zinc/90/25/43/1128902543.db2.gz ISUYTCZGQJMDNB-IAQYHMDHSA-N 0 1 293.769 3.863 20 0 CHADMN Cc1cn(C)nc1CN(C(C)C)[C@H](C)c1ccccc1 ZINC000930537466 1120266425 /nfs/dbraw/zinc/26/64/25/1120266425.db2.gz AJNOGABWLJQHKG-OAHLLOKOSA-N 0 1 271.408 3.700 20 0 CHADMN CC[N@@H+](Cc1cccs1)Cc1sc(C)nc1C ZINC000172736224 1120267357 /nfs/dbraw/zinc/26/73/57/1120267357.db2.gz QQOJCIZWRCKKIL-UHFFFAOYSA-N 0 1 266.435 3.844 20 0 CHADMN CCN(Cc1cccs1)Cc1sc(C)nc1C ZINC000172736224 1120267362 /nfs/dbraw/zinc/26/73/62/1120267362.db2.gz QQOJCIZWRCKKIL-UHFFFAOYSA-N 0 1 266.435 3.844 20 0 CHADMN CC[C@@H](C)C[C@H](C)Nc1c[nH]c2ncc(C(=O)OC)c-2c1 ZINC001168693394 1120271342 /nfs/dbraw/zinc/27/13/42/1120271342.db2.gz LXCRDFSHACWZJL-MNOVXSKESA-N 0 1 289.379 3.586 20 0 CHADMN CC[C@H](NCc1nn(C)c2ccccc12)c1ccsc1 ZINC000651326151 1120273320 /nfs/dbraw/zinc/27/33/20/1120273320.db2.gz XZKMXJZPGJACRX-AWEZNQCLSA-N 0 1 285.416 3.876 20 0 CHADMN CC(C)C[C@H](C)[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000678349932 1120275453 /nfs/dbraw/zinc/27/54/53/1120275453.db2.gz QCRZTBVLLGOAAM-AWEZNQCLSA-N 0 1 289.419 3.722 20 0 CHADMN Cc1nc2cc(NCc3nc(C(C)(C)C)co3)ccc2n1C ZINC000921910863 1120276596 /nfs/dbraw/zinc/27/65/96/1120276596.db2.gz MCKHKVKIICAFDA-UHFFFAOYSA-N 0 1 298.390 3.779 20 0 CHADMN c1ccc([C@@H]2C[C@H]2CN2CCOC[C@@H]2c2ccccc2)cc1 ZINC000463098225 1120278973 /nfs/dbraw/zinc/27/89/73/1120278973.db2.gz YNZWWLURWDTHSQ-SLFFLAALSA-N 0 1 293.410 3.864 20 0 CHADMN C[C@H](CCCc1cccnc1)N[C@@H]1CCCC1(F)F ZINC000651345979 1120283698 /nfs/dbraw/zinc/28/36/98/1120283698.db2.gz VHHIZZFWKCDYFM-TZMCWYRMSA-N 0 1 268.351 3.570 20 0 CHADMN C[C@H](N[C@@H]1CCC(F)(F)C1)c1nc2c(s1)CCCC2 ZINC000679071813 1120292082 /nfs/dbraw/zinc/29/20/82/1120292082.db2.gz LKMGQIMJASPUOM-VHSXEESVSA-N 0 1 286.391 3.860 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cncc(F)c2)cc1 ZINC000274363624 1120293566 /nfs/dbraw/zinc/29/35/66/1120293566.db2.gz OCGJILQJHKPSSK-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN c1cncc([C@H](NCc2nccc3c2CCCC3)C2CC2)c1 ZINC000921937558 1120294319 /nfs/dbraw/zinc/29/43/19/1120294319.db2.gz MATRINRRBVNGJT-LJQANCHMSA-N 0 1 293.414 3.596 20 0 CHADMN Cc1cccc(CNC2(c3ccccc3F)CC2)c1 ZINC000076766902 1120295383 /nfs/dbraw/zinc/29/53/83/1120295383.db2.gz YBPRTMLATFMPSW-UHFFFAOYSA-N 0 1 255.336 3.913 20 0 CHADMN CN(Cc1csc(C2CCCC2)n1)C[C@@H]1CCCOC1 ZINC000107686757 1120295441 /nfs/dbraw/zinc/29/54/41/1120295441.db2.gz PCMYOMCFKIRHFV-ZDUSSCGKSA-N 0 1 294.464 3.659 20 0 CHADMN Fc1ccc2c(c1)CCC[C@@H]2NCc1ccnn1C1CCC1 ZINC000921948967 1120301760 /nfs/dbraw/zinc/30/17/60/1120301760.db2.gz JSEGBKMQIFKJQD-SFHVURJKSA-N 0 1 299.393 3.914 20 0 CHADMN Fc1ccc(-c2ccc(C[N@@H+]3CC=CCC3)o2)cc1 ZINC000679357527 1120303313 /nfs/dbraw/zinc/30/33/13/1120303313.db2.gz YNRPDUALKUJDQS-UHFFFAOYSA-N 0 1 257.308 3.848 20 0 CHADMN CN(C(=O)c1cnc(C2CC2)[nH]1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416293421 1120305635 /nfs/dbraw/zinc/30/56/35/1120305635.db2.gz QPWPKMHQUFKGRG-OCCSQVGLSA-N 0 1 289.423 3.574 20 0 CHADMN CC(C)CCCSc1nc(=O)cc(O)n1C1CCCC1 ZINC000431861807 1120306015 /nfs/dbraw/zinc/30/60/15/1120306015.db2.gz ZFZZMCGEIPXPQJ-UHFFFAOYSA-N 0 1 296.436 3.592 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccccc3)[C@@H](C)C2)co1 ZINC000659957264 1120309242 /nfs/dbraw/zinc/30/92/42/1120309242.db2.gz ZBKVDQXCQMXHKX-SUMWQHHRSA-N 0 1 270.376 3.609 20 0 CHADMN CC(C)CCN(C)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000077211665 1120319322 /nfs/dbraw/zinc/31/93/22/1120319322.db2.gz SGZGHDAXNIGFIS-CYBMUJFWSA-N 0 1 273.380 3.776 20 0 CHADMN Cc1csc([C@@H](C)CNCc2nc(C(C)(C)C)co2)n1 ZINC000921990145 1120321291 /nfs/dbraw/zinc/32/12/91/1120321291.db2.gz NBORNHQJWCJTRU-JTQLQIEISA-N 0 1 293.436 3.630 20 0 CHADMN Cc1cnc([C@@H](C)CNCc2nc(C(C)(C)C)co2)s1 ZINC000921994595 1120322725 /nfs/dbraw/zinc/32/27/25/1120322725.db2.gz DYVNLOJWPLGBNX-JTQLQIEISA-N 0 1 293.436 3.630 20 0 CHADMN COc1nc(C)cc(C)c1CN(C)[C@H]1C[C@H]1c1ccccc1 ZINC000672551731 1120324769 /nfs/dbraw/zinc/32/47/69/1120324769.db2.gz IRZMMXDAYMESGS-WMZOPIPTSA-N 0 1 296.414 3.695 20 0 CHADMN CC[C@@H](CC(F)(F)F)NCc1cc(C)cnc1Cl ZINC000921999550 1120326583 /nfs/dbraw/zinc/32/65/83/1120326583.db2.gz LPJULLOSRYTBGE-JTQLQIEISA-N 0 1 280.721 3.864 20 0 CHADMN CCC[C@@H](C)CCC[N@@H+](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000629360915 1128908346 /nfs/dbraw/zinc/90/83/46/1128908346.db2.gz XBUNVDAJALNJFP-NVXWUHKLSA-N 0 1 291.435 3.831 20 0 CHADMN CCC[C@H](C)CCC[N@@H+](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000629360914 1128908422 /nfs/dbraw/zinc/90/84/22/1128908422.db2.gz XBUNVDAJALNJFP-DOTOQJQBSA-N 0 1 291.435 3.831 20 0 CHADMN CC(C)C[C@@H](C)C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000499572587 1120333028 /nfs/dbraw/zinc/33/30/28/1120333028.db2.gz HPZCVMSZKWPXEH-LLVKDONJSA-N 0 1 291.361 3.553 20 0 CHADMN Fc1cccc(CN2C[C@H]3CCC[C@@H]3C2)c1OC(F)F ZINC000659998147 1120333427 /nfs/dbraw/zinc/33/34/27/1120333427.db2.gz NKHVKJLKIIFNJD-GHMZBOCLSA-N 0 1 285.309 3.659 20 0 CHADMN COc1cccc(C[C@H](N[C@H]2CCCC2(F)F)C2CC2)c1 ZINC000672620378 1120334073 /nfs/dbraw/zinc/33/40/73/1120334073.db2.gz MARGSZBNSMKUDG-HOTGVXAUSA-N 0 1 295.373 3.794 20 0 CHADMN C[C@@H](CCc1ccc(F)cc1)N[C@@H]1CCCC1(F)F ZINC000672621788 1120336083 /nfs/dbraw/zinc/33/60/83/1120336083.db2.gz JBFGWXZWHKFYIQ-SMDDNHRTSA-N 0 1 271.326 3.924 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCO[C@@H](c2cccs2)C1 ZINC000660006051 1120338753 /nfs/dbraw/zinc/33/87/53/1120338753.db2.gz YGJNKESSUKSQGQ-NWDGAFQWSA-N 0 1 289.391 3.803 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCCCC2)[C@H]2CCCC[C@H]12 ZINC000656764083 1120339218 /nfs/dbraw/zinc/33/92/18/1120339218.db2.gz JKCLNJLZUPTKSV-OAGGEKHMSA-N 0 1 279.424 3.532 20 0 CHADMN Cc1cccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c1Br ZINC001141092205 1120341774 /nfs/dbraw/zinc/34/17/74/1120341774.db2.gz LEJLFONEEPVRDA-AVGNSLFASA-N 0 1 298.199 3.690 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3occc3c2)o1 ZINC000347681481 1120342864 /nfs/dbraw/zinc/34/28/64/1120342864.db2.gz WYDSIODVFVSVRU-UHFFFAOYSA-N 0 1 255.317 3.966 20 0 CHADMN CO[C@@H](CN[C@H](c1ccccc1)c1ccccn1)C1CCC1 ZINC000660021381 1120343818 /nfs/dbraw/zinc/34/38/18/1120343818.db2.gz MKWQXYDEWPKSOX-RBUKOAKNSA-N 0 1 296.414 3.576 20 0 CHADMN Cc1cnc(Cl)c(CNC(C)(C)CC(F)(F)F)c1 ZINC000922036253 1120344846 /nfs/dbraw/zinc/34/48/46/1120344846.db2.gz HBFUGWWGJXDUCL-UHFFFAOYSA-N 0 1 280.721 3.864 20 0 CHADMN COC[C@H](NCc1csc(Cl)c1Cl)C1CC1 ZINC000309667602 1120345086 /nfs/dbraw/zinc/34/50/86/1120345086.db2.gz UUTWZYZURJGERG-VIFPVBQESA-N 0 1 280.220 3.570 20 0 CHADMN CC(C)(C)CCC(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000765970339 1120351772 /nfs/dbraw/zinc/35/17/72/1120351772.db2.gz VKUQFUTXGHSOTO-CQSZACIVSA-N 0 1 293.407 3.614 20 0 CHADMN CC(C)(C)c1coc(CNC[C@@H]2CCCC(F)(F)C2)n1 ZINC000922104248 1120366236 /nfs/dbraw/zinc/36/62/36/1120366236.db2.gz LKMQUVUVNAMVIK-LLVKDONJSA-N 0 1 286.366 3.887 20 0 CHADMN COc1ccc(OC)c(CNCc2cc(C)cc(C)c2)c1 ZINC000065889405 1120367474 /nfs/dbraw/zinc/36/74/74/1120367474.db2.gz GUXOSONFRQHUBV-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN CC(C)(CNCc1c(Cl)n[nH]c1C1CC1)C(F)(F)F ZINC000922107570 1120368894 /nfs/dbraw/zinc/36/88/94/1120368894.db2.gz YZUKXXXAEDGCQP-UHFFFAOYSA-N 0 1 295.736 3.619 20 0 CHADMN CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCc1c(F)cccc1Cl ZINC000511582477 1120369640 /nfs/dbraw/zinc/36/96/40/1120369640.db2.gz TTXOMTQDIAFZKV-JKSUJKDBSA-N 0 1 299.817 3.647 20 0 CHADMN Clc1ccc(-c2noc(CNCC3CC3)n2)c(Cl)c1 ZINC000843219095 1120378083 /nfs/dbraw/zinc/37/80/83/1120378083.db2.gz UUVXTYUFVPVPAE-UHFFFAOYSA-N 0 1 298.173 3.543 20 0 CHADMN COc1ccc(CNC(C)(C)c2c(C)noc2C)c(C)c1 ZINC000922128398 1120378611 /nfs/dbraw/zinc/37/86/11/1120378611.db2.gz WOMBBPHNKTVHMS-UHFFFAOYSA-N 0 1 288.391 3.633 20 0 CHADMN CC/C(C)=C(/C)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000780915811 1120383508 /nfs/dbraw/zinc/38/35/08/1120383508.db2.gz XVESPTHWNULTMM-PLFFATQSSA-N 0 1 292.423 3.525 20 0 CHADMN CC/C(C)=C(\C)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000780915813 1120384284 /nfs/dbraw/zinc/38/42/84/1120384284.db2.gz XVESPTHWNULTMM-SZGUKTLCSA-N 0 1 292.423 3.525 20 0 CHADMN C[C@@H]1CCCN1Cc1cc2sccc2nc1Cl ZINC001236860623 1128913368 /nfs/dbraw/zinc/91/33/68/1128913368.db2.gz MGBJTYLHKNBRJV-SECBINFHSA-N 0 1 266.797 3.934 20 0 CHADMN CC(C)c1ccc([C@@H]2CCCN2Cc2cn(C)cn2)cc1 ZINC000660132544 1120392155 /nfs/dbraw/zinc/39/21/55/1120392155.db2.gz JSUZXPSCRKOGJZ-SFHVURJKSA-N 0 1 283.419 3.881 20 0 CHADMN CN(Cc1nncs1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000930723711 1120393404 /nfs/dbraw/zinc/39/34/04/1120393404.db2.gz RMBIJUYCSWSCPJ-HUUCEWRRSA-N 0 1 287.432 3.696 20 0 CHADMN C[C@@H]1C[C@@H](NCc2ccnn2C2CCC2)c2ccccc2O1 ZINC000922156236 1120394122 /nfs/dbraw/zinc/39/41/22/1120394122.db2.gz JBAXLLLLYVJOCL-CXAGYDPISA-N 0 1 297.402 3.610 20 0 CHADMN Cc1csc(CNCc2c(Cl)n[nH]c2C2CC2)c1 ZINC000922160286 1120397992 /nfs/dbraw/zinc/39/79/92/1120397992.db2.gz VBJVQDMXFKFFAZ-UHFFFAOYSA-N 0 1 281.812 3.600 20 0 CHADMN CC(C)[C@H]1CCN1Cc1cc(Cl)cc2c1OCC2 ZINC000543072379 1120400500 /nfs/dbraw/zinc/40/05/00/1120400500.db2.gz LKQXPAKCCJSBMZ-CQSZACIVSA-N 0 1 265.784 3.505 20 0 CHADMN C[C@@H]1CCCCC[C@@H]1NCc1noc(-c2cccs2)n1 ZINC000681411572 1120401622 /nfs/dbraw/zinc/40/16/22/1120401622.db2.gz GRSZZOLIQNBYOF-NEPJUHHUSA-N 0 1 291.420 3.857 20 0 CHADMN C[C@H](N[C@@H]1CCCCC[C@H]1C)c1nc(C(C)(C)C)no1 ZINC000681411579 1120401738 /nfs/dbraw/zinc/40/17/38/1120401738.db2.gz HJFOJHRWIWEWFT-FRRDWIJNSA-N 0 1 279.428 3.987 20 0 CHADMN Cc1cccc(CCN(Cc2ccccc2F)C2CC2)n1 ZINC000563058968 1120408227 /nfs/dbraw/zinc/40/82/27/1120408227.db2.gz PQUBLPSCHGIAQW-UHFFFAOYSA-N 0 1 284.378 3.736 20 0 CHADMN C[C@H](CN(C)Cc1nc(-c2ccco2)no1)c1ccccc1 ZINC000066853668 1120414638 /nfs/dbraw/zinc/41/46/38/1120414638.db2.gz PCKDEBZLDSJKMV-CYBMUJFWSA-N 0 1 297.358 3.565 20 0 CHADMN CCc1nocc1CN[C@H](CC)c1ccc(C)cc1 ZINC000660174601 1120415414 /nfs/dbraw/zinc/41/54/14/1120415414.db2.gz HOWACLIRIUYGQK-OAHLLOKOSA-N 0 1 258.365 3.786 20 0 CHADMN FC(F)[C@@H](CCc1ccccc1)NC[C@@H]1CC12CC2 ZINC000417340725 1120427541 /nfs/dbraw/zinc/42/75/41/1120427541.db2.gz PTGQREWLIVCXTO-UONOGXRCSA-N 0 1 265.347 3.643 20 0 CHADMN CN(Cc1cc(C(C)(C)C)on1)[C@@H]1CCC(C)(C)C1 ZINC000584747708 1120432912 /nfs/dbraw/zinc/43/29/12/1120432912.db2.gz BIANXCZVSLUYRC-CYBMUJFWSA-N 0 1 264.413 3.983 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cc(C)nc(C)n2)cc1 ZINC000660199914 1120435490 /nfs/dbraw/zinc/43/54/90/1120435490.db2.gz NXXKVRUMPIOGDK-UHFFFAOYSA-N 0 1 283.419 3.681 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@H]1COCc2ccccc21 ZINC000417360383 1120436944 /nfs/dbraw/zinc/43/69/44/1120436944.db2.gz JSNKNGZNIMAHMF-RISCZKNCSA-N 0 1 289.400 3.679 20 0 CHADMN c1ccc2c(c1)COC[C@@H]2N[C@H](c1cccnc1)C1CCC1 ZINC000417371142 1120439679 /nfs/dbraw/zinc/43/96/79/1120439679.db2.gz VDNKMHUMCOSWLQ-OALUTQOASA-N 0 1 294.398 3.784 20 0 CHADMN c1ccc(-c2n[nH]c(SCCOC3CCCC3)n2)cc1 ZINC000431941600 1120440031 /nfs/dbraw/zinc/44/00/31/1120440031.db2.gz MEWHYNNHYROCGX-UHFFFAOYSA-N 0 1 289.404 3.523 20 0 CHADMN CCc1cnc(CNC23CC(c4ccccc4)(C2)C3)s1 ZINC000641790594 1120447770 /nfs/dbraw/zinc/44/77/70/1120447770.db2.gz MBJGCEHQLICMOQ-UHFFFAOYSA-N 0 1 284.428 3.669 20 0 CHADMN CN(Cc1ccn(C2CCCC2)n1)C[C@@H]1CC=CCC1 ZINC000543174901 1120451889 /nfs/dbraw/zinc/45/18/89/1120451889.db2.gz FADAJCYATOGIED-OAHLLOKOSA-N 0 1 273.424 3.786 20 0 CHADMN C[N@H+](Cc1cn2cc(Cl)ccc2n1)C[C@@H]1CC=CCC1 ZINC000543181025 1120454215 /nfs/dbraw/zinc/45/42/15/1120454215.db2.gz HTLHLDOPPSBNGW-CYBMUJFWSA-N 0 1 289.810 3.776 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000389890191 1120458184 /nfs/dbraw/zinc/45/81/84/1120458184.db2.gz KAHUJVNKJVEABB-HBUWYVDXSA-N 0 1 297.398 3.943 20 0 CHADMN CC[C@@H](NC[C@H](OC)C1CCCCC1)c1nccs1 ZINC000660253270 1120467499 /nfs/dbraw/zinc/46/74/99/1120467499.db2.gz GSSIVZCIJQRTKR-KGLIPLIRSA-N 0 1 282.453 3.779 20 0 CHADMN CC1CC(CN[C@H](Cc2ccccc2)c2ncco2)C1 ZINC000930895835 1120471765 /nfs/dbraw/zinc/47/17/65/1120471765.db2.gz YTKZRJMWYBPERH-AVVWSFFYSA-N 0 1 270.376 3.594 20 0 CHADMN O=C(Nc1ccc2c(c1)CCC2)c1ccc(O)c(Cl)c1 ZINC000019838640 1120472182 /nfs/dbraw/zinc/47/21/82/1120472182.db2.gz FPMLKEMQFRXITQ-UHFFFAOYSA-N 0 1 287.746 3.787 20 0 CHADMN C[C@@H]1CCC[C@H](NC(=O)c2ccc(O)c(Cl)c2)[C@@H]1C ZINC000019840275 1120472333 /nfs/dbraw/zinc/47/23/33/1120472333.db2.gz BOHHFURJDBQFQE-BREBYQMCSA-N 0 1 281.783 3.600 20 0 CHADMN CC(C)(C)c1coc(CNCC[C@]2(C)C[C@]2(F)Cl)n1 ZINC000922216788 1120473651 /nfs/dbraw/zinc/47/36/51/1120473651.db2.gz WWHBSAHCHZBMQB-ZIAGYGMSSA-N 0 1 288.794 3.766 20 0 CHADMN CCc1nc([C@H](C)NC[C@@H](OC)C2CCCC2)cs1 ZINC000660267826 1120473995 /nfs/dbraw/zinc/47/39/95/1120473995.db2.gz WTBVZOMQNGSLCL-SMDDNHRTSA-N 0 1 282.453 3.561 20 0 CHADMN COc1cc(CN[C@@H](C)c2cc3ccccc3s2)on1 ZINC000660266185 1120474566 /nfs/dbraw/zinc/47/45/66/1120474566.db2.gz OHZKAPSQJMUNOU-JTQLQIEISA-N 0 1 288.372 3.749 20 0 CHADMN Fc1cc(Cl)ccc1CNCc1ccc2c(c1)CCO2 ZINC000189196638 1120477695 /nfs/dbraw/zinc/47/76/95/1120477695.db2.gz VNWOUDLZKZQGGK-UHFFFAOYSA-N 0 1 291.753 3.704 20 0 CHADMN C[C@@H]1C[N@H+]([C@H]2Cc3cccc(Cl)c3C2)CCC1(F)F ZINC001168714888 1120479540 /nfs/dbraw/zinc/47/95/40/1120479540.db2.gz DRZUQXBXPUKHBN-PWSUYJOCSA-N 0 1 285.765 3.784 20 0 CHADMN C[C@H](NCc1ccc(Br)o1)c1ccccc1 ZINC000019878098 1120484075 /nfs/dbraw/zinc/48/40/75/1120484075.db2.gz YYXVMUUFHKGBNT-JTQLQIEISA-N 0 1 280.165 3.893 20 0 CHADMN CC(C)(C)c1cccc(CN[C@H](CCO)c2ccco2)c1 ZINC000660297009 1120487459 /nfs/dbraw/zinc/48/74/59/1120487459.db2.gz IIMPXDBPZNDHMA-MRXNPFEDSA-N 0 1 287.403 3.790 20 0 CHADMN Cc1ccc(CN(Cc2ccc(CO)o2)C(C)C)s1 ZINC000092485290 1128919621 /nfs/dbraw/zinc/91/96/21/1128919621.db2.gz OKNGPSPFTNMLJS-UHFFFAOYSA-N 0 1 279.405 3.552 20 0 CHADMN CC[C@H]1CCCC[C@H]1NCc1nnc(C(F)(F)F)s1 ZINC000660305713 1120489588 /nfs/dbraw/zinc/48/95/88/1120489588.db2.gz MQMSNLOQYSSTRU-DTWKUNHWSA-N 0 1 293.358 3.615 20 0 CHADMN CCCN[C@H](C)c1nc(-c2occc2C(C)C)no1 ZINC000843235381 1120489819 /nfs/dbraw/zinc/48/98/19/1120489819.db2.gz BSQIUNMMGFLYBK-SNVBAGLBSA-N 0 1 263.341 3.514 20 0 CHADMN Cc1oc2ccccc2c1[C@@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000925635924 1120499804 /nfs/dbraw/zinc/49/98/04/1120499804.db2.gz VBDXICFXBIXUPP-WDEREUQCSA-N 0 1 269.348 3.876 20 0 CHADMN CCOCC(C)(C)CNc1ccnc2cc(F)ccc21 ZINC000673501590 1120513973 /nfs/dbraw/zinc/51/39/73/1120513973.db2.gz WIZRMHWSJLNTKV-UHFFFAOYSA-N 0 1 276.355 3.849 20 0 CHADMN Cc1[nH+]c2c(Nc3ccc(C(=O)[O-])c(C)c3)cccn2c1C ZINC001211655126 1120514561 /nfs/dbraw/zinc/51/45/61/1120514561.db2.gz OALVLMJGULHDDX-UHFFFAOYSA-N 0 1 295.342 3.701 20 0 CHADMN CCC[C@H]1CCCN(Cc2cc(-c3ccco3)on2)C1 ZINC000466466832 1120516308 /nfs/dbraw/zinc/51/63/08/1120516308.db2.gz WBFKRSYVYFVLKK-ZDUSSCGKSA-N 0 1 274.364 3.947 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@H](C)c1csc(Cl)c1 ZINC000191249453 1120518561 /nfs/dbraw/zinc/51/85/61/1120518561.db2.gz BDQSPANFDSBWCH-MRVPVSSYSA-N 0 1 283.828 3.603 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1csc(-c2ccccn2)n1 ZINC000172986626 1120531699 /nfs/dbraw/zinc/53/16/99/1120531699.db2.gz QEAAVAMMTOUITF-QWHCGFSZSA-N 0 1 287.432 3.826 20 0 CHADMN Cc1cc([C@H](C)NC[C@@H](C)Sc2ccccc2)nn1C ZINC000282358350 1120531751 /nfs/dbraw/zinc/53/17/51/1120531751.db2.gz WASMBEMUORBNIX-KGLIPLIRSA-N 0 1 289.448 3.560 20 0 CHADMN CCCCC[C@H](C)NC(=O)c1ccc(O)c(Cl)c1 ZINC000025346245 1120547830 /nfs/dbraw/zinc/54/78/30/1120547830.db2.gz PZXOGTVQGWEHAM-JTQLQIEISA-N 0 1 269.772 3.744 20 0 CHADMN CCCCc1cc(=O)n(Cc2cccc3cccnc32)[nH]1 ZINC000634592740 1128924202 /nfs/dbraw/zinc/92/42/02/1128924202.db2.gz SPGWJFXGESFIHB-UHFFFAOYSA-N 0 1 281.359 3.513 20 0 CHADMN C[C@H]1Cc2cc(CN[C@@H](c3ccccn3)C3CC3)ccc2O1 ZINC000922581635 1120555838 /nfs/dbraw/zinc/55/58/38/1120555838.db2.gz KMTWQFDWVHUNFZ-ORAYPTAESA-N 0 1 294.398 3.646 20 0 CHADMN CC(C)(CNCc1cocn1)c1c(F)cccc1Cl ZINC000428890695 1120555918 /nfs/dbraw/zinc/55/59/18/1120555918.db2.gz VKQBKEWWOITIJV-UHFFFAOYSA-N 0 1 282.746 3.535 20 0 CHADMN c1ccc([C@@H](NCc2nccc3ccccc32)C2CC2)nc1 ZINC000922586636 1120558321 /nfs/dbraw/zinc/55/83/21/1120558321.db2.gz PIHJRQXBYQVZTL-IBGZPJMESA-N 0 1 289.382 3.871 20 0 CHADMN C[C@@H]1C(=O)CCN(CCc2ccccc2F)C12CCCC2 ZINC001207503166 1120561919 /nfs/dbraw/zinc/56/19/19/1120561919.db2.gz AMZRABKNOWCICO-CQSZACIVSA-N 0 1 289.394 3.592 20 0 CHADMN c1ccc([C@@H]2CC[C@@H](c3nc([C@@H]4CCCN4)no3)C2)cc1 ZINC000629675369 1128924896 /nfs/dbraw/zinc/92/48/96/1128924896.db2.gz RAHLLJKKZRRXQS-KFWWJZLASA-N 0 1 283.375 3.545 20 0 CHADMN Cc1nc2cc(CNc3nc(C)cc4cc[nH]c43)ccc2o1 ZINC001167757559 1120564654 /nfs/dbraw/zinc/56/46/54/1120564654.db2.gz SDINUJVADRWPAA-UHFFFAOYSA-N 0 1 292.342 3.933 20 0 CHADMN CC[C@H](NCc1ccnc(F)c1)c1cc(F)ccc1OC ZINC000922618346 1120565931 /nfs/dbraw/zinc/56/59/31/1120565931.db2.gz LCIUWIKNBWKHDC-AWEZNQCLSA-N 0 1 292.329 3.609 20 0 CHADMN FC(F)(F)c1cnc(CNC2CC3(CCC3)C2)s1 ZINC000652042147 1120567946 /nfs/dbraw/zinc/56/79/46/1120567946.db2.gz KAMFUJQGAXZJJD-UHFFFAOYSA-N 0 1 276.327 3.584 20 0 CHADMN CC(C)(C)c1cnc(CN2CCCC3(CC3)CC2)o1 ZINC000626113928 1120574156 /nfs/dbraw/zinc/57/41/56/1120574156.db2.gz MIIZJVQGRAZODS-UHFFFAOYSA-N 0 1 262.397 3.738 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2ccc(F)cc2C)o1 ZINC000922666195 1120575661 /nfs/dbraw/zinc/57/56/61/1120575661.db2.gz AJGRDIATXWZBAU-LBPRGKRZSA-N 0 1 277.339 3.724 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1ccoc1)[C@@H]2C ZINC000781928182 1120576107 /nfs/dbraw/zinc/57/61/07/1120576107.db2.gz UGHBVWQLHCFHRR-CHWSQXEVSA-N 0 1 271.360 3.796 20 0 CHADMN COc1ccccc1CN[C@@H](C)c1ccc(F)cc1C ZINC000922669911 1120576952 /nfs/dbraw/zinc/57/69/52/1120576952.db2.gz FIIJXWCSCGXADQ-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN CCc1cc(CN[C@@H](C)c2ccccc2C(F)(F)F)[nH]n1 ZINC000765995376 1120578414 /nfs/dbraw/zinc/57/84/14/1120578414.db2.gz VOYMXPQROKFCQD-JTQLQIEISA-N 0 1 297.324 3.842 20 0 CHADMN C[C@@H](O)CCCNCc1c(Cl)ccc(Cl)c1Cl ZINC000227955751 1120579144 /nfs/dbraw/zinc/57/91/44/1120579144.db2.gz XENDYDWOJOOJRN-MRVPVSSYSA-N 0 1 296.625 3.897 20 0 CHADMN CSc1ccc(-c2cccc([C@H]3COCCN3)c2)cc1 ZINC000629693193 1128925865 /nfs/dbraw/zinc/92/58/65/1128925865.db2.gz DIHSGJZWUPFWFL-QGZVFWFLSA-N 0 1 285.412 3.736 20 0 CHADMN C[C@H]1CCCCCN1Cc1ncccc1Br ZINC000390618049 1120584702 /nfs/dbraw/zinc/58/47/02/1120584702.db2.gz DPHIBPFDUPRNIV-NSHDSACASA-N 0 1 283.213 3.609 20 0 CHADMN Cc1nnc(CN(CCCC(C)(C)C)C(C)(C)C)o1 ZINC001167760224 1120588682 /nfs/dbraw/zinc/58/86/82/1120588682.db2.gz SAPKIIJZNQQMMT-UHFFFAOYSA-N 0 1 267.417 3.805 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cnc3ccccc3n2)c1 ZINC000660415344 1120588717 /nfs/dbraw/zinc/58/87/17/1120588717.db2.gz WEJFQAUPOLDFKU-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN CCCc1nc(C)c(CN2CC[C@@H](CC(F)(F)F)C2)o1 ZINC000428982072 1120597930 /nfs/dbraw/zinc/59/79/30/1120597930.db2.gz AJLUAHFXEVBBQH-NSHDSACASA-N 0 1 290.329 3.710 20 0 CHADMN C[C@H](CF)NCc1ccccc1OCc1ccccc1 ZINC000673619507 1120602183 /nfs/dbraw/zinc/60/21/83/1120602183.db2.gz VRAFBIYRBZJTKJ-CQSZACIVSA-N 0 1 273.351 3.713 20 0 CHADMN CCCCC[C@@](C)(CC)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000780928423 1120606719 /nfs/dbraw/zinc/60/67/19/1120606719.db2.gz SGQYOCMAGODDQF-CXAGYDPISA-N 0 1 293.455 3.762 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@H]1CCc2cc(C)ccc21 ZINC000766001117 1120608500 /nfs/dbraw/zinc/60/85/00/1120608500.db2.gz GFRTVIULTLXCJT-BZNIZROVSA-N 0 1 270.376 3.938 20 0 CHADMN [O-]c1cccc(C[NH2+][C@@H]2CCSC3(CCC3)C2)c1Cl ZINC000922839290 1120611327 /nfs/dbraw/zinc/61/13/27/1120611327.db2.gz CWDVZACUTMZYBX-GFCCVEGCSA-N 0 1 297.851 3.954 20 0 CHADMN CCn1nccc1CN[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000500401718 1120611350 /nfs/dbraw/zinc/61/13/50/1120611350.db2.gz XBOSKCRPVZUNIY-LRDDRELGSA-N 0 1 289.810 3.581 20 0 CHADMN c1nc(C2CC2)sc1CN[C@H]1CCCc2cccnc21 ZINC000922883267 1120618575 /nfs/dbraw/zinc/61/85/75/1120618575.db2.gz ZIOVQSKVBGPKKY-AWEZNQCLSA-N 0 1 285.416 3.583 20 0 CHADMN c1nc(C2CC2)c(CN[C@H]2CCCc3cccnc32)s1 ZINC000922883367 1120618585 /nfs/dbraw/zinc/61/85/85/1120618585.db2.gz ITBYEDQJJOJAMS-ZDUSSCGKSA-N 0 1 285.416 3.583 20 0 CHADMN Cc1ccsc1CN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000093638126 1120619198 /nfs/dbraw/zinc/61/91/98/1120619198.db2.gz DCSRQZPJIAZEFB-SFHVURJKSA-N 0 1 299.439 3.730 20 0 CHADMN CCC[C@@H](NCc1ccc(C(C)(C)O)cc1)c1ccccn1 ZINC000186608544 1120622098 /nfs/dbraw/zinc/62/20/98/1120622098.db2.gz DWQQDJVNDKLNCB-QGZVFWFLSA-N 0 1 298.430 3.940 20 0 CHADMN CO[C@@H](C)c1cccc(Nc2nc3cc(F)ccc3o2)c1 ZINC000511676304 1120624545 /nfs/dbraw/zinc/62/45/45/1120624545.db2.gz STFCSBRJFGZJCI-JTQLQIEISA-N 0 1 286.306 3.840 20 0 CHADMN O=c1[nH]c2ccccc2cc1C[N@H+]1CCc2sccc2C1 ZINC000110106146 1120631748 /nfs/dbraw/zinc/63/17/48/1120631748.db2.gz LZCDNCKWFYYKET-UHFFFAOYSA-N 0 1 296.395 3.560 20 0 CHADMN O=c1[nH]c2ccccc2cc1CN1CCc2sccc2C1 ZINC000110106146 1120631750 /nfs/dbraw/zinc/63/17/50/1120631750.db2.gz LZCDNCKWFYYKET-UHFFFAOYSA-N 0 1 296.395 3.560 20 0 CHADMN Cc1cc(-c2cccc([C@@H]3COCCN3)c2)c(F)cc1F ZINC000629712400 1128929596 /nfs/dbraw/zinc/92/95/96/1128929596.db2.gz VXBRGRZSENCARZ-KRWDZBQOSA-N 0 1 289.325 3.601 20 0 CHADMN CN(C/C=C\c1ccc(F)cc1)CCC(F)(F)F ZINC000511748987 1120636812 /nfs/dbraw/zinc/63/68/12/1120636812.db2.gz XRUJZVIKALDMQB-IHWYPQMZSA-N 0 1 261.262 3.723 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)CCC(F)(F)F ZINC000511748406 1120637125 /nfs/dbraw/zinc/63/71/25/1120637125.db2.gz NFVIOFLNSQVVOE-BENRWUELSA-N 0 1 257.299 3.974 20 0 CHADMN CCc1nc([C@H](C)N[C@H](c2ccc(F)cc2)C(C)C)n[nH]1 ZINC000660484577 1120637946 /nfs/dbraw/zinc/63/79/46/1120637946.db2.gz ZEOHNOQAWDBASV-NHYWBVRUSA-N 0 1 290.386 3.554 20 0 CHADMN FCCNCc1ccc(F)c(-c2cccs2)c1 ZINC000302265874 1120641673 /nfs/dbraw/zinc/64/16/73/1120641673.db2.gz PXRCDOJYUOVIRH-UHFFFAOYSA-N 0 1 253.317 3.613 20 0 CHADMN c1c(CN2CCC[C@@H]3CCC[C@@H]32)[nH]nc1-c1ccccc1 ZINC000511837644 1120660334 /nfs/dbraw/zinc/66/03/34/1120660334.db2.gz ICOBHZGPKFTXJV-YJBOKZPZSA-N 0 1 281.403 3.841 20 0 CHADMN CCCC[C@H](CC)CCN[C@@H](C)c1nc(C)no1 ZINC000483347998 1120661668 /nfs/dbraw/zinc/66/16/68/1120661668.db2.gz DGVJROJMOWODGC-AAEUAGOBSA-N 0 1 253.390 3.635 20 0 CHADMN COc1cncc(CN[C@@H](c2ccccc2C)C(C)(C)C)n1 ZINC000625299247 1120664201 /nfs/dbraw/zinc/66/42/01/1120664201.db2.gz GSHNUOVUQYGPRR-KRWDZBQOSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1cc(C)ccc1C ZINC000673731218 1120665446 /nfs/dbraw/zinc/66/54/46/1120665446.db2.gz PVRULWHIQDUAMF-UHFFFAOYSA-N 0 1 297.280 3.606 20 0 CHADMN Fc1ccccc1-c1nc(CNC2(C3CC3)CC2)co1 ZINC000625317023 1120667101 /nfs/dbraw/zinc/66/71/01/1120667101.db2.gz CXPRNCJSDNQWCJ-UHFFFAOYSA-N 0 1 272.323 3.513 20 0 CHADMN Cc1cccc(CN(C)Cc2cnc3ccccc3n2)c1C ZINC000660606276 1120667921 /nfs/dbraw/zinc/66/79/21/1120667921.db2.gz AULBUMUAUDYYNL-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN c1ccc([C@H]2CCCN(Cc3nc4ccccc4o3)C2)nc1 ZINC000660629411 1120670843 /nfs/dbraw/zinc/67/08/43/1120670843.db2.gz UBJPUTZAGNMTPM-AWEZNQCLSA-N 0 1 293.370 3.602 20 0 CHADMN c1c(CN2CCC[C@H]2COc2ccccc2)onc1C1CC1 ZINC000660670541 1120675912 /nfs/dbraw/zinc/67/59/12/1120675912.db2.gz FZHUWRLJZAEWOB-HNNXBMFYSA-N 0 1 298.386 3.595 20 0 CHADMN Cc1ccc(CN2CCC=C(c3cccnc3)C2)cc1F ZINC000625430456 1120678985 /nfs/dbraw/zinc/67/89/85/1120678985.db2.gz NARLVPLPABNXTG-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN c1n[nH]cc1CN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000651609445 1120680218 /nfs/dbraw/zinc/68/02/18/1120680218.db2.gz LIWLHLMVKFSNOG-INIZCTEOSA-N 0 1 267.376 3.527 20 0 CHADMN Cc1ccc(C[N@@H+](Cc2cc3cnccc3o2)C2CC2)o1 ZINC000651612868 1120681405 /nfs/dbraw/zinc/68/14/05/1120681405.db2.gz GBKIRHAEYUNTAH-UHFFFAOYSA-N 0 1 282.343 3.894 20 0 CHADMN Cc1ccc(CN(Cc2cc3cnccc3o2)C2CC2)o1 ZINC000651612868 1120681407 /nfs/dbraw/zinc/68/14/07/1120681407.db2.gz GBKIRHAEYUNTAH-UHFFFAOYSA-N 0 1 282.343 3.894 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2c3ccccc3CC[C@H]2C)nn1C ZINC000282451269 1120681875 /nfs/dbraw/zinc/68/18/75/1120681875.db2.gz ZVGWWRMAJSMBMQ-UVBSCNOISA-N 0 1 283.419 3.703 20 0 CHADMN Cc1occc1CN(C)Cc1nc(C(C)C)n2ccccc12 ZINC000651623379 1120685578 /nfs/dbraw/zinc/68/55/78/1120685578.db2.gz BYKJARJERGPSMU-UHFFFAOYSA-N 0 1 297.402 3.991 20 0 CHADMN c1cc(-c2ccc(OC3CC3)cc2)cc([C@H]2COCCN2)c1 ZINC000629754921 1128933582 /nfs/dbraw/zinc/93/35/82/1128933582.db2.gz PGQLZDMTBNIAIV-LJQANCHMSA-N 0 1 295.382 3.556 20 0 CHADMN COc1ccc(-c2cnc(CN3C[C@@H]4CCCC[C@@H]43)o2)cc1 ZINC000660931049 1120703920 /nfs/dbraw/zinc/70/39/20/1120703920.db2.gz PAENYFAAXXXUES-HOCLYGCPSA-N 0 1 298.386 3.725 20 0 CHADMN COc1ccc(-c2nc(CN3C[C@@H]4CCCC[C@@H]43)co2)cc1 ZINC000660928340 1120704391 /nfs/dbraw/zinc/70/43/91/1120704391.db2.gz LWLFLGYWFIMMOJ-YOEHRIQHSA-N 0 1 298.386 3.725 20 0 CHADMN CCC[C@H](C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccccc1 ZINC000629770617 1128934580 /nfs/dbraw/zinc/93/45/80/1128934580.db2.gz AATYHHIJMCJQBQ-USXIJHARSA-N 0 1 289.419 3.613 20 0 CHADMN Cc1csc(C(=O)OCc2cc(C3CC3)[nH]n2)c1Cl ZINC000848010985 1120711432 /nfs/dbraw/zinc/71/14/32/1120711432.db2.gz DKRILSAVYQURER-UHFFFAOYSA-N 0 1 296.779 3.667 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000893421079 1120717533 /nfs/dbraw/zinc/71/75/33/1120717533.db2.gz PXMQUARGONWKIH-KBPBESRZSA-N 0 1 282.387 3.598 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000044621050 1120725670 /nfs/dbraw/zinc/72/56/70/1120725670.db2.gz LWRCQDSTXAEFEE-KRWDZBQOSA-N 0 1 283.371 3.649 20 0 CHADMN CC(C)(C)c1noc(CN[C@H]2CCCC23CCCCC3)n1 ZINC000661128162 1120725948 /nfs/dbraw/zinc/72/59/48/1120725948.db2.gz IIUHOVRHJOPFTN-ZDUSSCGKSA-N 0 1 291.439 3.960 20 0 CHADMN Cc1nnc([C@H](C)N[C@@H]2CCCC23CCCCC3)o1 ZINC000661129776 1120726055 /nfs/dbraw/zinc/72/60/55/1120726055.db2.gz PZTUXCMOUYCPPL-WCQYABFASA-N 0 1 263.385 3.532 20 0 CHADMN COC[C@@H](CC(C)(C)C)NCc1ccn(C2CCCC2)n1 ZINC000651736616 1120731101 /nfs/dbraw/zinc/73/11/01/1120731101.db2.gz BGKSXEHKTWTYIK-OAHLLOKOSA-N 0 1 293.455 3.539 20 0 CHADMN COc1ccsc1CN1CCC[C@@H]1c1ccc(C)nc1 ZINC001141327478 1120732379 /nfs/dbraw/zinc/73/23/79/1120732379.db2.gz VQTDQZASJOXKIE-CQSZACIVSA-N 0 1 288.416 3.797 20 0 CHADMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1cc2cnccc2o1 ZINC000651758319 1120735944 /nfs/dbraw/zinc/73/59/44/1120735944.db2.gz WRWVZAOVLBBSNF-ZYHUDNBSSA-N 0 1 298.308 3.991 20 0 CHADMN CCc1noc([C@H](C)N2CCCC3(CCCC3)CC2)n1 ZINC000661226864 1120741355 /nfs/dbraw/zinc/74/13/55/1120741355.db2.gz DMJASOZBYPRCBT-ZDUSSCGKSA-N 0 1 277.412 3.739 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1nc(-c2ccc(F)cc2)no1 ZINC000661236646 1120742546 /nfs/dbraw/zinc/74/25/46/1120742546.db2.gz VOIAQQRAJBIQDC-LLVKDONJSA-N 0 1 291.370 3.790 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N1N=C2[C@H](C)CC[C@@H]2C1=O ZINC000634601104 1128937328 /nfs/dbraw/zinc/93/73/28/1128937328.db2.gz CRGVQJDVWCFIDL-NRUUGDAUSA-N 0 1 276.767 3.645 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)n1[nH]c2c(c1=O)CC[C@H]2C ZINC000634601104 1128937332 /nfs/dbraw/zinc/93/73/32/1128937332.db2.gz CRGVQJDVWCFIDL-NRUUGDAUSA-N 0 1 276.767 3.645 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cc2cnccc2o1 ZINC000651790407 1120746422 /nfs/dbraw/zinc/74/64/22/1120746422.db2.gz WIHZLCZIOKHDJG-JOYOIKCWSA-N 0 1 284.281 3.601 20 0 CHADMN Cc1ccccc1-c1cnc(CN2CCC[C@@H](C)C2)o1 ZINC000075616504 1120753345 /nfs/dbraw/zinc/75/33/45/1120753345.db2.gz OEUUYADOAWSLDV-CYBMUJFWSA-N 0 1 270.376 3.882 20 0 CHADMN Cc1cc(C)cc(OCCCN[C@H](C)c2cscn2)c1 ZINC000661422755 1120764160 /nfs/dbraw/zinc/76/41/60/1120764160.db2.gz QVNDZTHTVKJGLV-CQSZACIVSA-N 0 1 290.432 3.880 20 0 CHADMN CCC(=O)CCCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661436711 1120764316 /nfs/dbraw/zinc/76/43/16/1120764316.db2.gz VCOREIFQNBRJHU-INIZCTEOSA-N 0 1 275.392 3.956 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000651875817 1120769405 /nfs/dbraw/zinc/76/94/05/1120769405.db2.gz HMMFHYDRUOVMQY-UONOGXRCSA-N 0 1 283.375 3.636 20 0 CHADMN C[C@H](C[C@H](C)O)NCc1c(Cl)ccc(Cl)c1Cl ZINC000228086635 1120774663 /nfs/dbraw/zinc/77/46/63/1120774663.db2.gz OTFRLZFTSHQKIY-SFYZADRCSA-N 0 1 296.625 3.896 20 0 CHADMN Cc1ccc2cc[nH+]c(N3CCC[C@@H](CCC(=O)[O-])C3)c2c1 ZINC000662887457 1120779362 /nfs/dbraw/zinc/77/93/62/1120779362.db2.gz IOLXCPPHBAQQGR-AWEZNQCLSA-N 0 1 298.386 3.624 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@H](C3CCCCC3)C2)o1 ZINC000661585936 1120781639 /nfs/dbraw/zinc/78/16/39/1120781639.db2.gz MUBRZCROTZFUGT-JSGCOSHPSA-N 0 1 277.412 3.595 20 0 CHADMN C[C@H](CCc1cccc(F)c1)N1CCC=C(F)C1 ZINC000473116070 1120781840 /nfs/dbraw/zinc/78/18/40/1120781840.db2.gz DTWYMWTUJHIBGC-GFCCVEGCSA-N 0 1 251.320 3.706 20 0 CHADMN C[C@H]1c2cccn2CCN1CCc1ccccc1Cl ZINC000109471990 1120783981 /nfs/dbraw/zinc/78/39/81/1120783981.db2.gz YQBDUUOIIUQSMQ-ZDUSSCGKSA-N 0 1 274.795 3.761 20 0 CHADMN COc1ccc(C[C@@H](C)CN2CCC=C(F)C2)cc1F ZINC000473121492 1120784633 /nfs/dbraw/zinc/78/46/33/1120784633.db2.gz JSPIUQNWYSAJCW-GFCCVEGCSA-N 0 1 281.346 3.572 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1nccn1C1CC1)[C@H](C)C2 ZINC000893472263 1120785630 /nfs/dbraw/zinc/78/56/30/1120785630.db2.gz OVGCMTHYUKHZCC-ACJLOTCBSA-N 0 1 281.403 3.550 20 0 CHADMN C[C@H]1CN(Cc2cncs2)CCc2ccc(Cl)cc21 ZINC000651938294 1120786582 /nfs/dbraw/zinc/78/65/82/1120786582.db2.gz UOPRBVXXAXWMIL-NSHDSACASA-N 0 1 292.835 3.958 20 0 CHADMN CCC1(CC)CCCN(Cc2ncc(C3CC3)o2)C1 ZINC000661672722 1120792999 /nfs/dbraw/zinc/79/29/99/1120792999.db2.gz PPNHADZOIBDPRZ-UHFFFAOYSA-N 0 1 262.397 3.954 20 0 CHADMN FCC[C@@H]1CCCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000661699882 1120797658 /nfs/dbraw/zinc/79/76/58/1120797658.db2.gz YKHLMYBYRDIMTH-AWEZNQCLSA-N 0 1 288.366 3.913 20 0 CHADMN C[C@@H](NCc1cccc2ccsc21)c1cc2n(n1)CCC2 ZINC000652219704 1120801840 /nfs/dbraw/zinc/80/18/40/1120801840.db2.gz JCCIAVQILLVQFQ-GFCCVEGCSA-N 0 1 297.427 3.895 20 0 CHADMN C/C(=C\c1ccccc1)CN[C@@H]1COc2ccc(F)cc21 ZINC000500435669 1120804761 /nfs/dbraw/zinc/80/47/61/1120804761.db2.gz XXIMBPMKAQAGHV-JZUUQJBKSA-N 0 1 283.346 3.952 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H](C)COCC2CC2)cs1 ZINC000652287508 1120809923 /nfs/dbraw/zinc/80/99/23/1120809923.db2.gz ZBVKWOMWQLBRLQ-NEPJUHHUSA-N 0 1 282.453 3.732 20 0 CHADMN Cc1nccc(CN[C@H](c2ccc(F)cc2)C(C)(C)C)n1 ZINC000054790555 1120818024 /nfs/dbraw/zinc/81/80/24/1120818024.db2.gz GHJMWZBZIRTSDE-MRXNPFEDSA-N 0 1 287.382 3.801 20 0 CHADMN CC(C)(C)OC1CC(N2CCc3cccc(F)c3C2)C1 ZINC000335988049 1120824399 /nfs/dbraw/zinc/82/43/99/1120824399.db2.gz TYQJDVSKQGWZBP-UHFFFAOYSA-N 0 1 277.383 3.530 20 0 CHADMN Clc1cnccc1CN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661878418 1120831704 /nfs/dbraw/zinc/83/17/04/1120831704.db2.gz NTXCMGOZXJLFIY-GDBMZVCRSA-N 0 1 294.826 3.516 20 0 CHADMN CC(C)C1CCC(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])CC1 ZINC000313980240 1120834132 /nfs/dbraw/zinc/83/41/32/1120834132.db2.gz MJDLNLVJKCSJKY-ZKLCHKPXSA-N 0 1 293.451 3.634 20 0 CHADMN O=C1CCCC12CCN(Cc1ccccc1OC1CC1)CC2 ZINC000661962313 1120847110 /nfs/dbraw/zinc/84/71/10/1120847110.db2.gz SIRMAQZQUWQKPF-UHFFFAOYSA-N 0 1 299.414 3.563 20 0 CHADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000652390706 1120851607 /nfs/dbraw/zinc/85/16/07/1120851607.db2.gz AVZOLGABZXYXLE-AEFFLSMTSA-N 0 1 295.382 3.610 20 0 CHADMN O=C([O-])CC1(C[N@H+]2CCCCC[C@@H]2c2ccccc2)CC1 ZINC000652403567 1120854026 /nfs/dbraw/zinc/85/40/26/1120854026.db2.gz WASSQFHUGMZPLF-MRXNPFEDSA-N 0 1 287.403 3.859 20 0 CHADMN O=C([O-])c1ccccc1C[N@@H+](C1CC1)C1CCCCC1 ZINC000652401280 1120855206 /nfs/dbraw/zinc/85/52/06/1120855206.db2.gz WVHGHLFPKGFLDL-UHFFFAOYSA-N 0 1 273.376 3.682 20 0 CHADMN CC(C)CCc1noc(CN[C@@H](C)C2CCC(F)CC2)n1 ZINC000662000154 1120855494 /nfs/dbraw/zinc/85/54/94/1120855494.db2.gz JUXLXGXPOKKMFO-HSBZDZAISA-N 0 1 297.418 3.665 20 0 CHADMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1csc(C(=O)[O-])c1)C1CC1 ZINC000652410306 1120857550 /nfs/dbraw/zinc/85/75/50/1120857550.db2.gz XRVNBXGIXVDOLB-WDEREUQCSA-N 0 1 281.421 3.845 20 0 CHADMN CCCCc1nc2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2[nH]1 ZINC000049428892 1120858891 /nfs/dbraw/zinc/85/88/91/1120858891.db2.gz RJCKPSBUYLUMGA-ZYHUDNBSSA-N 0 1 271.364 3.500 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCCCCC(=O)[O-])C1 ZINC000652421004 1120860283 /nfs/dbraw/zinc/86/02/83/1120860283.db2.gz VBDSKTXRGMJIBX-CJNGLKHVSA-N 0 1 293.382 3.854 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000652429244 1120861286 /nfs/dbraw/zinc/86/12/86/1120861286.db2.gz DWSOMJNWJRKRRD-DZGCQCFKSA-N 0 1 299.370 3.746 20 0 CHADMN CC(=O)c1cccc(CN2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000662064872 1120868402 /nfs/dbraw/zinc/86/84/02/1120868402.db2.gz HITUBSFQEJJAMD-LJQANCHMSA-N 0 1 295.382 3.543 20 0 CHADMN COc1cncc(CN(C)[C@H](C)c2cc(C)ccc2C)c1 ZINC000343888515 1120870442 /nfs/dbraw/zinc/87/04/42/1120870442.db2.gz XMYUADIERNQABY-OAHLLOKOSA-N 0 1 284.403 3.900 20 0 CHADMN CCc1ccc([C@H](NCc2cnccn2)C(C)C)cc1 ZINC000054765687 1120870859 /nfs/dbraw/zinc/87/08/59/1120870859.db2.gz TZBRBJFBHGWYAQ-QGZVFWFLSA-N 0 1 269.392 3.526 20 0 CHADMN Cc1ccc(OCCCN[C@@H](C)c2nccs2)cc1C ZINC000184401076 1120874339 /nfs/dbraw/zinc/87/43/39/1120874339.db2.gz WRBJEZQOSRFOPG-AWEZNQCLSA-N 0 1 290.432 3.880 20 0 CHADMN C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000248487444 1120877787 /nfs/dbraw/zinc/87/77/87/1120877787.db2.gz GCHSUZTZVOOXII-GMTAPVOTSA-N 0 1 283.799 3.652 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CCSC[C@@H](C)C1 ZINC000249028605 1120879817 /nfs/dbraw/zinc/87/98/17/1120879817.db2.gz LSWIXIOPAMNFRJ-NWDGAFQWSA-N 0 1 282.453 3.718 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1nc(-c2ccsc2)no1 ZINC000662134403 1120882595 /nfs/dbraw/zinc/88/25/95/1120882595.db2.gz UVDHISRMNQTOOI-VGPLMAKISA-N 0 1 289.404 3.561 20 0 CHADMN C[C@H](OCc1cnc[nH]1)c1c(Cl)cccc1Cl ZINC001223008005 1120883752 /nfs/dbraw/zinc/88/37/52/1120883752.db2.gz UHZBWUGAFXHOLS-QMMMGPOBSA-N 0 1 271.147 3.994 20 0 CHADMN CC[C@@H]1CCC[C@H](C)N1Cc1nnc(C2CC2)n1C1CC1 ZINC000662159680 1120887499 /nfs/dbraw/zinc/88/74/99/1120887499.db2.gz CCMVHPYOCIJKMK-GXTWGEPZSA-N 0 1 288.439 3.643 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1ccccc1F ZINC000115178184 1120887630 /nfs/dbraw/zinc/88/76/30/1120887630.db2.gz GZMQEXAZUHCAKP-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN CC(C)n1ccc(CN(C)C[C@@H]2CCc3ccccc32)n1 ZINC000662198732 1120896054 /nfs/dbraw/zinc/89/60/54/1120896054.db2.gz KOKBLMIIINSCNZ-INIZCTEOSA-N 0 1 283.419 3.626 20 0 CHADMN CC1(C)CCCC[C@@H]1C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000662202904 1120898449 /nfs/dbraw/zinc/89/84/49/1120898449.db2.gz AHEULQRCDKSJQJ-FZKCQIBNSA-N 0 1 293.451 3.921 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C2CCC3(CC3)CC2)n1 ZINC000663251424 1120900827 /nfs/dbraw/zinc/90/08/27/1120900827.db2.gz QFAUAUHVGBCOGX-GFCCVEGCSA-N 0 1 263.385 3.553 20 0 CHADMN Clc1ccc2sc(CNCc3cc[nH]c3)nc2c1 ZINC000343892828 1120901529 /nfs/dbraw/zinc/90/15/29/1120901529.db2.gz PNKRRONKEJWWGO-UHFFFAOYSA-N 0 1 277.780 3.568 20 0 CHADMN CC(C)C[C@H](N)c1noc(C2CCC3(CC3)CC2)n1 ZINC000663251427 1120901586 /nfs/dbraw/zinc/90/15/86/1120901586.db2.gz QFAUAUHVGBCOGX-LBPRGKRZSA-N 0 1 263.385 3.553 20 0 CHADMN CC[N@H+](Cc1sc2ccccc2c1Cl)[C@H](C)C(=O)[O-] ZINC000662214338 1120903264 /nfs/dbraw/zinc/90/32/64/1120903264.db2.gz FGSYQWSTVRBDIB-SECBINFHSA-N 0 1 297.807 3.850 20 0 CHADMN CC[N@@H+](Cc1sc2ccccc2c1Cl)[C@H](C)C(=O)[O-] ZINC000662214338 1120903267 /nfs/dbraw/zinc/90/32/67/1120903267.db2.gz FGSYQWSTVRBDIB-SECBINFHSA-N 0 1 297.807 3.850 20 0 CHADMN Cc1cc(F)c(CNc2ccc3c[nH]nc3c2)c(F)c1 ZINC000630069611 1128948424 /nfs/dbraw/zinc/94/84/24/1128948424.db2.gz GUSSUHDCRYHMJX-UHFFFAOYSA-N 0 1 273.286 3.762 20 0 CHADMN c1[nH]nc2cc(NCc3ccc(OCC4CC4)cc3)ccc12 ZINC000630069696 1128948912 /nfs/dbraw/zinc/94/89/12/1128948912.db2.gz RLVGSXKEHNUROD-UHFFFAOYSA-N 0 1 293.370 3.964 20 0 CHADMN COc1ccsc1[C@H](C)NCc1ccsc1 ZINC000186107097 1120914557 /nfs/dbraw/zinc/91/45/57/1120914557.db2.gz CUWYMEQISDNMKB-VIFPVBQESA-N 0 1 253.392 3.669 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000062015106 1120920281 /nfs/dbraw/zinc/92/02/81/1120920281.db2.gz OFZPKTYHGWMEIH-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccoc1C(=O)[O-] ZINC000062015120 1120920309 /nfs/dbraw/zinc/92/03/09/1120920309.db2.gz QRDUEGKAKGTTLB-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000663317709 1120923209 /nfs/dbraw/zinc/92/32/09/1120923209.db2.gz QEZDXIXINGMCIT-UHFFFAOYSA-N 0 1 293.366 3.506 20 0 CHADMN Cc1nc(CN2CC3CC2(c2ccccc2)C3)sc1C ZINC000662331807 1120926680 /nfs/dbraw/zinc/92/66/80/1120926680.db2.gz KFKNDELXBXKQPN-UHFFFAOYSA-N 0 1 284.428 3.881 20 0 CHADMN CC1(C)C[C@]1(NCc1cncs1)c1ccccc1 ZINC000662339983 1120927143 /nfs/dbraw/zinc/92/71/43/1120927143.db2.gz GKQJSWQCSWWWQE-HNNXBMFYSA-N 0 1 258.390 3.558 20 0 CHADMN CCOc1ccc(-c2nc(CN3CC4CC3(C)C4)co2)cc1 ZINC000662385578 1120932814 /nfs/dbraw/zinc/93/28/14/1120932814.db2.gz WVUQZSGSSSUNQX-UHFFFAOYSA-N 0 1 298.386 3.725 20 0 CHADMN Oc1ccc(CNCc2ccc(C3CC3)cc2F)cc1 ZINC000644834749 1120938802 /nfs/dbraw/zinc/93/88/02/1120938802.db2.gz ICWJWFSUWOIHMZ-UHFFFAOYSA-N 0 1 271.335 3.699 20 0 CHADMN Cc1sccc1CNCc1cnccc1C(F)(F)F ZINC000663354471 1120945583 /nfs/dbraw/zinc/94/55/83/1120945583.db2.gz TVPCKRCFKUUOFL-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CCN(C(=O)c1cc(C(C)C)[nH]n1)[C@@H]1CCCC[C@H]1C ZINC000066674763 1120951493 /nfs/dbraw/zinc/95/14/93/1120951493.db2.gz CQJAVVYVGQIHNL-IUODEOHRSA-N 0 1 277.412 3.574 20 0 CHADMN CCN(C(=O)c1cc(C(C)C)[nH]n1)[C@H]1CCCC[C@@H]1C ZINC000066674762 1120951593 /nfs/dbraw/zinc/95/15/93/1120951593.db2.gz CQJAVVYVGQIHNL-WFASDCNBSA-N 0 1 277.412 3.574 20 0 CHADMN C[C@H]1CN(Cc2cc3ccccc3s2)CC(C)(C)O1 ZINC000511975037 1120956317 /nfs/dbraw/zinc/95/63/17/1120956317.db2.gz UOJVHSOANFCATB-LBPRGKRZSA-N 0 1 275.417 3.901 20 0 CHADMN C/C(=C/c1ccccc1)CN1C[C@@H](C)OC(C)(C)C1 ZINC000511979605 1120963757 /nfs/dbraw/zinc/96/37/57/1120963757.db2.gz XJCGFKHRCHHYAX-BAAYTWLHSA-N 0 1 259.393 3.589 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC(C)(C)O1 ZINC000511978095 1120964445 /nfs/dbraw/zinc/96/44/45/1120964445.db2.gz KWYZZROHVMMAOF-NSHDSACASA-N 0 1 287.325 3.705 20 0 CHADMN C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)CC(C)(C)O1 ZINC000511978095 1120964448 /nfs/dbraw/zinc/96/44/48/1120964448.db2.gz KWYZZROHVMMAOF-NSHDSACASA-N 0 1 287.325 3.705 20 0 CHADMN Cc1nccc(N[C@@H](C)c2ccc3n[nH]cc3c2)c1Cl ZINC000343920226 1120965756 /nfs/dbraw/zinc/96/57/56/1120965756.db2.gz RZOFLKDFKIAPDC-VIFPVBQESA-N 0 1 286.766 3.515 20 0 CHADMN CO[C@@]1(C)C[C@H](Nc2ccnc3cc(F)ccc32)C1(C)C ZINC000467008993 1120965915 /nfs/dbraw/zinc/96/59/15/1120965915.db2.gz HRGCYUMYVQBGFU-RDJZCZTQSA-N 0 1 288.366 3.989 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@H](C)N1CCCCCC1 ZINC000008119216 1120972234 /nfs/dbraw/zinc/97/22/34/1120972234.db2.gz OFFCNVANOXJAME-HNNXBMFYSA-N 0 1 274.408 3.506 20 0 CHADMN CCCCC[C@@H](C)N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000314870896 1120978198 /nfs/dbraw/zinc/97/81/98/1120978198.db2.gz XOKAKNUSYCCCEP-MNOVXSKESA-N 0 1 284.425 3.549 20 0 CHADMN Cc1ccc(CN2CC3(C2)CC(F)(F)C3)c(C)c1 ZINC000663464716 1120981522 /nfs/dbraw/zinc/98/15/22/1120981522.db2.gz VXCWSQYPNBCNLB-UHFFFAOYSA-N 0 1 251.320 3.535 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1cnccc1C(F)(F)F ZINC000663469230 1120982949 /nfs/dbraw/zinc/98/29/49/1120982949.db2.gz DAHPIRZGMUCGJY-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN CC[C@H](c1cccc(OC)c1)N(C)Cc1cnoc1C ZINC000343944544 1120986417 /nfs/dbraw/zinc/98/64/17/1120986417.db2.gz QKNDVJRLSILIMH-MRXNPFEDSA-N 0 1 274.364 3.575 20 0 CHADMN COc1ccnc([C@H](C)NC2(c3ccccc3)CCC2)c1 ZINC000925779810 1120991430 /nfs/dbraw/zinc/99/14/30/1120991430.db2.gz PRAMCXQVLOLZQY-AWEZNQCLSA-N 0 1 282.387 3.820 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@]1(C)CC=C(C)CC1 ZINC000613917999 1120991764 /nfs/dbraw/zinc/99/17/64/1120991764.db2.gz KMOOQMZAQXHRQK-QGZVFWFLSA-N 0 1 283.375 3.946 20 0 CHADMN C[C@H](C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C1CC1)C(=O)[O-] ZINC000071736877 1120996863 /nfs/dbraw/zinc/99/68/63/1120996863.db2.gz OIQCSXKCJJPSIK-CYBMUJFWSA-N 0 1 289.419 3.669 20 0 CHADMN Cc1cc(F)ncc1CNCc1ccc(C(F)F)cc1 ZINC000893623592 1121001629 /nfs/dbraw/zinc/00/16/29/1121001629.db2.gz ZKKQHTSGUYXIQC-UHFFFAOYSA-N 0 1 280.293 3.757 20 0 CHADMN CN(Cc1csc(-c2ccco2)n1)CC1CCC1 ZINC000111696548 1121015628 /nfs/dbraw/zinc/01/56/28/1121015628.db2.gz CPUHLCKQQIWIFV-UHFFFAOYSA-N 0 1 262.378 3.635 20 0 CHADMN CCCc1cc(C(=O)N(CC(C)C)C(CC)CC)n[nH]1 ZINC000673967212 1121016660 /nfs/dbraw/zinc/01/66/60/1121016660.db2.gz OUMAAKJOKTZLBG-UHFFFAOYSA-N 0 1 279.428 3.649 20 0 CHADMN CC1(C)CN(CCCc2cccc(Cl)c2)CCC1=O ZINC001207590831 1121019571 /nfs/dbraw/zinc/01/95/71/1121019571.db2.gz XNXVBGQGNKZGEM-UHFFFAOYSA-N 0 1 279.811 3.574 20 0 CHADMN CCc1nocc1CN(C)[C@@H](CC)c1cccc(OC)c1 ZINC000660555779 1121020816 /nfs/dbraw/zinc/02/08/16/1121020816.db2.gz AZPMNZGXOHAVHR-KRWDZBQOSA-N 0 1 288.391 3.829 20 0 CHADMN CCCCC[C@H](CC)C(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC001127683001 1128957631 /nfs/dbraw/zinc/95/76/31/1128957631.db2.gz HDPGXKMFOQTTQU-OAGGEKHMSA-N 0 1 282.472 3.534 20 0 CHADMN Cc1csc(C2(N[C@H](C)C3(Cl)CC3)CCC2)n1 ZINC000925804282 1121043409 /nfs/dbraw/zinc/04/34/09/1121043409.db2.gz GEAUCUJSXPIGTJ-SNVBAGLBSA-N 0 1 270.829 3.580 20 0 CHADMN CCc1cccc(Nc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001174816063 1121044294 /nfs/dbraw/zinc/04/42/94/1121044294.db2.gz TYSSWCPLVKUQGR-UHFFFAOYSA-N 0 1 295.430 3.744 20 0 CHADMN CCOc1ccc(C[N@H+]2CCc3ccc(OC)cc3C2)cc1 ZINC000512060640 1121048076 /nfs/dbraw/zinc/04/80/76/1121048076.db2.gz WBCJVXOUDDSHPE-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN CCOc1ccc(CN2CCc3ccc(OC)cc3C2)cc1 ZINC000512060640 1121048082 /nfs/dbraw/zinc/04/80/82/1121048082.db2.gz WBCJVXOUDDSHPE-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN CCCCO[C@H]1C[C@@H](NCc2csc(C)n2)C1(C)C ZINC000344002690 1121049009 /nfs/dbraw/zinc/04/90/09/1121049009.db2.gz BEQBQCJIJBWUTA-KGLIPLIRSA-N 0 1 282.453 3.525 20 0 CHADMN CCN(Cc1ccoc1)[C@H]1CCc2ccc(F)cc21 ZINC000674047998 1121058264 /nfs/dbraw/zinc/05/82/64/1121058264.db2.gz VWQYYVVYECNCEO-INIZCTEOSA-N 0 1 259.324 3.928 20 0 CHADMN C[C@H](Nc1cnn(-c2ccncc2)c1)C1CCCCC1 ZINC000674048361 1121058598 /nfs/dbraw/zinc/05/85/98/1121058598.db2.gz LCOCPXSBRYJQJP-ZDUSSCGKSA-N 0 1 270.380 3.648 20 0 CHADMN Cc1cc(F)ccc1CNCc1ccc(Cl)o1 ZINC000585812713 1121064192 /nfs/dbraw/zinc/06/41/92/1121064192.db2.gz WTGNOXKZRRKCEE-UHFFFAOYSA-N 0 1 253.704 3.670 20 0 CHADMN Oc1ccc2c(c1)CN([C@@H]1CCc3ccc(F)cc31)C2 ZINC000625726413 1121068561 /nfs/dbraw/zinc/06/85/61/1121068561.db2.gz HLHSPLUGLWADQK-QGZVFWFLSA-N 0 1 269.319 3.534 20 0 CHADMN C[C@H](CCc1ccccc1)N1Cc2ccc(O)cc2C1 ZINC000625726467 1121069706 /nfs/dbraw/zinc/06/97/06/1121069706.db2.gz KMSZAEYCABPUQU-CQSZACIVSA-N 0 1 267.372 3.729 20 0 CHADMN C[C@H]1CN(Cc2ccncc2Cl)CC(C)(C)C1 ZINC000344085745 1121078417 /nfs/dbraw/zinc/07/84/17/1121078417.db2.gz TVQLUPUZSLMNLS-LLVKDONJSA-N 0 1 252.789 3.603 20 0 CHADMN CSCCN(C)Cc1cnc(-c2ccc(C)cc2)s1 ZINC000093509710 1128961355 /nfs/dbraw/zinc/96/13/55/1128961355.db2.gz MYPRMXXNESXFKX-UHFFFAOYSA-N 0 1 292.473 3.913 20 0 CHADMN C[C@@H](N[C@@H]1COc2ccc(F)cc21)c1ccc2c(c1)COC2 ZINC000344111135 1121088930 /nfs/dbraw/zinc/08/89/30/1121088930.db2.gz TWBGUPRTCYAOOA-PIGZYNQJSA-N 0 1 299.345 3.640 20 0 CHADMN C[C@@H](O)[C@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000658359663 1121092168 /nfs/dbraw/zinc/09/21/68/1121092168.db2.gz DYJQXSVDFHSNFW-JKDFXYPNSA-N 0 1 291.341 3.738 20 0 CHADMN CCSc1cccc(C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000344129955 1121096584 /nfs/dbraw/zinc/09/65/84/1121096584.db2.gz RLAPLEUHYVYKAJ-UHFFFAOYSA-N 0 1 297.383 3.927 20 0 CHADMN O=C(CC1CCCCCC1)Nc1cnn(-c2ccncc2)c1 ZINC000674239997 1121104832 /nfs/dbraw/zinc/10/48/32/1121104832.db2.gz KYRJJBBTYJWFKX-UHFFFAOYSA-N 0 1 298.390 3.566 20 0 CHADMN Fc1ccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c(F)c1 ZINC000661878756 1121107349 /nfs/dbraw/zinc/10/73/49/1121107349.db2.gz QZPNKKUXKRRXMT-WMLDXEAASA-N 0 1 295.373 3.746 20 0 CHADMN CCc1cnc(CN[C@H](C)c2sccc2C)s1 ZINC000224316387 1121108892 /nfs/dbraw/zinc/10/88/92/1121108892.db2.gz PPKBOMAILYXRRV-SNVBAGLBSA-N 0 1 266.435 3.926 20 0 CHADMN C[C@H](c1ccccc1F)N(C)Cc1ccc(O)cc1 ZINC000674283758 1121111049 /nfs/dbraw/zinc/11/10/49/1121111049.db2.gz DZLCHGHLZYXEGZ-GFCCVEGCSA-N 0 1 259.324 3.724 20 0 CHADMN CCOc1ccc(CN[C@@H]2CCCc3sccc32)o1 ZINC000893641821 1121117120 /nfs/dbraw/zinc/11/71/20/1121117120.db2.gz ZTDMRNDYLQOYLD-CYBMUJFWSA-N 0 1 277.389 3.907 20 0 CHADMN C[C@@H]1CN(CCSCC2(C)CCCCC2)C[C@@H](C)O1 ZINC001307347245 1121117859 /nfs/dbraw/zinc/11/78/59/1121117859.db2.gz OKTKTVAPHUHJMC-HUUCEWRRSA-N 0 1 285.497 3.799 20 0 CHADMN CC[C@H](c1ccccc1)N1Cc2ccc(O)cc2C1 ZINC000625727336 1121119667 /nfs/dbraw/zinc/11/96/67/1121119667.db2.gz WVCSYPSGLAEVSX-QGZVFWFLSA-N 0 1 253.345 3.859 20 0 CHADMN Cc1nn(-c2ccccc2)c(Cl)c1CN1CC[C@@H](C)C1 ZINC000261385720 1121120096 /nfs/dbraw/zinc/12/00/96/1121120096.db2.gz LPKREUWYOIEREJ-GFCCVEGCSA-N 0 1 289.810 3.676 20 0 CHADMN OC[C@H](NCc1ccccc1C1CC1)c1ccc(F)cc1 ZINC000674334439 1121120390 /nfs/dbraw/zinc/12/03/90/1121120390.db2.gz KDPOUUOWHNSDRW-SFHVURJKSA-N 0 1 285.362 3.526 20 0 CHADMN C[C@@H](N[C@@H]1COCc2ccccc21)c1cc2cnccc2o1 ZINC000658038221 1121125172 /nfs/dbraw/zinc/12/51/72/1121125172.db2.gz NQSYCEVTJYAKBS-MLGOLLRUSA-N 0 1 294.354 3.750 20 0 CHADMN CCO[C@@H]1C[C@@H](N(C)Cc2cnc(C3CC3)s2)C1(C)C ZINC000093605421 1128964767 /nfs/dbraw/zinc/96/47/67/1128964767.db2.gz WSUCQEORLIGGOM-ZIAGYGMSSA-N 0 1 294.464 3.656 20 0 CHADMN Cc1ccccc1C(=O)Nc1cccc(Cl)c1O ZINC000172109863 1121139901 /nfs/dbraw/zinc/13/99/01/1121139901.db2.gz SHZAMQABZCPAPW-UHFFFAOYSA-N 0 1 261.708 3.606 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@H]1CCCc2ccc(O)cc21 ZINC000235205325 1121144767 /nfs/dbraw/zinc/14/47/67/1121144767.db2.gz ZCPZXWHKRXYHEW-HWPZZCPQSA-N 0 1 286.375 3.725 20 0 CHADMN Oc1ccc2c(c1)CN(CC[C@H]1CCc3ccccc31)C2 ZINC000625728372 1121145513 /nfs/dbraw/zinc/14/55/13/1121145513.db2.gz LYGZYSDZKLRQRS-OAHLLOKOSA-N 0 1 279.383 3.828 20 0 CHADMN CCOc1ccc(Nc2cc(OC)c(C)cn2)cc1F ZINC001175067252 1121147643 /nfs/dbraw/zinc/14/76/43/1121147643.db2.gz KOBDFSYWHKKZAX-UHFFFAOYSA-N 0 1 276.311 3.680 20 0 CHADMN O=C(CC1=CCCCC1)Nc1cccc(Cl)c1O ZINC000172355328 1121147789 /nfs/dbraw/zinc/14/77/89/1121147789.db2.gz NUISJGBACQUHQP-UHFFFAOYSA-N 0 1 265.740 3.875 20 0 CHADMN Oc1ccc2c(c1)C[N@@H+]([C@@H]1CCCc3ccc(F)cc31)C2 ZINC000625728014 1121148942 /nfs/dbraw/zinc/14/89/42/1121148942.db2.gz SKYNXFHJHWNXBR-GOSISDBHSA-N 0 1 283.346 3.925 20 0 CHADMN Oc1ccc2c(c1)CN([C@@H]1CCCc3ccc(F)cc31)C2 ZINC000625728014 1121148945 /nfs/dbraw/zinc/14/89/45/1121148945.db2.gz SKYNXFHJHWNXBR-GOSISDBHSA-N 0 1 283.346 3.925 20 0 CHADMN CC[C@@H](OCCN(C)Cc1ccccn1)c1ccccc1 ZINC000649620072 1128966015 /nfs/dbraw/zinc/96/60/15/1128966015.db2.gz LITUTWXYVNAEHU-GOSISDBHSA-N 0 1 284.403 3.681 20 0 CHADMN FC(F)(F)Cc1ncc(CN2CCCC3(CC3)C2)s1 ZINC000893663689 1121154280 /nfs/dbraw/zinc/15/42/80/1121154280.db2.gz KMYIQUNOHMNGOK-UHFFFAOYSA-N 0 1 290.354 3.624 20 0 CHADMN Cc1cc(O)cc(C)c1CN1CCc2ccc(F)cc2C1 ZINC001139715228 1121156277 /nfs/dbraw/zinc/15/62/77/1121156277.db2.gz XPGDRNQGHLPPTF-UHFFFAOYSA-N 0 1 285.362 3.706 20 0 CHADMN N=CNc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC001167865530 1121166839 /nfs/dbraw/zinc/16/68/39/1121166839.db2.gz PTVSEEUUGCRUNH-UHFFFAOYSA-N 0 1 256.149 3.743 20 0 CHADMN COc1cc(C)c(-n2c(N)nc3c2cccc3C)cc1C ZINC001175111052 1121170054 /nfs/dbraw/zinc/17/00/54/1121170054.db2.gz AVPHXVIOSKMYJF-UHFFFAOYSA-N 0 1 281.359 3.542 20 0 CHADMN CCOc1ccc(F)cc1Nc1nnc(C(C)(C)C)o1 ZINC001175079668 1121174275 /nfs/dbraw/zinc/17/42/75/1121174275.db2.gz NKLMKQULYVEBNM-UHFFFAOYSA-N 0 1 279.315 3.649 20 0 CHADMN CCCn1c(C)cc(C(=O)CN2CCC[C@H]2C2CC2)c1C ZINC000674752028 1121175278 /nfs/dbraw/zinc/17/52/78/1121175278.db2.gz YHJUFFNACCQUJT-KRWDZBQOSA-N 0 1 288.435 3.572 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(OC)nc1 ZINC000674749896 1121176586 /nfs/dbraw/zinc/17/65/86/1121176586.db2.gz BDKAYORHAMJYLT-INIZCTEOSA-N 0 1 288.366 3.812 20 0 CHADMN CCOC[C@@H]1CCCCN1Cc1cc(Cl)cs1 ZINC001206239151 1121179019 /nfs/dbraw/zinc/17/90/19/1121179019.db2.gz ABZUSZVDJNQULO-LBPRGKRZSA-N 0 1 273.829 3.793 20 0 CHADMN Cc1cccc2ncc(CN[C@@H]3CSc4ccccc43)n21 ZINC000344432502 1121185213 /nfs/dbraw/zinc/18/52/13/1121185213.db2.gz GHRATKVQMIIOEG-OAHLLOKOSA-N 0 1 295.411 3.579 20 0 CHADMN N=CNc1cncc(-c2ccc(OC(F)(F)F)cc2)c1 ZINC001167871127 1121186252 /nfs/dbraw/zinc/18/62/52/1121186252.db2.gz JYFGMLMLMJKYKX-UHFFFAOYSA-N 0 1 281.237 3.666 20 0 CHADMN Cc1ccoc1CNCc1ccc(-c2ccncc2)cc1 ZINC000344436966 1121187251 /nfs/dbraw/zinc/18/72/51/1121187251.db2.gz HRGNWGNJOKPPEE-UHFFFAOYSA-N 0 1 278.355 3.940 20 0 CHADMN CC(C)[C@H](NCc1ccc(F)cc1Cl)c1cnn(C)c1 ZINC000922894374 1121188446 /nfs/dbraw/zinc/18/84/46/1121188446.db2.gz KCLFIMGWKUVFEF-HNNXBMFYSA-N 0 1 295.789 3.700 20 0 CHADMN CCOc1ccc(CN(C)[C@@H](C)c2cccs2)nc1 ZINC000674861065 1121188945 /nfs/dbraw/zinc/18/89/45/1121188945.db2.gz MHJUOFSIINSYSB-LBPRGKRZSA-N 0 1 276.405 3.735 20 0 CHADMN Cc1cnccc1CNCc1cccc(Cl)c1Cl ZINC000228658959 1121190571 /nfs/dbraw/zinc/19/05/71/1121190571.db2.gz OPTBXVVUCKWYRZ-UHFFFAOYSA-N 0 1 281.186 3.987 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1cn[nH]c1)c1ccccc1F ZINC000658169053 1121200636 /nfs/dbraw/zinc/20/06/36/1121200636.db2.gz YKBJTADWRWUDFA-ABAIWWIYSA-N 0 1 261.344 3.597 20 0 CHADMN Cc1cc(-n2c(N)nc3ccccc32)ccc1OC(C)C ZINC001175191165 1121204265 /nfs/dbraw/zinc/20/42/65/1121204265.db2.gz ZAFRJTDVZKSYHX-UHFFFAOYSA-N 0 1 281.359 3.703 20 0 CHADMN Fc1ccccc1CNCc1ccc(C2CC2)cc1 ZINC000094517845 1121210006 /nfs/dbraw/zinc/21/00/06/1121210006.db2.gz HBHGHNJIIIJZLT-UHFFFAOYSA-N 0 1 255.336 3.993 20 0 CHADMN c1nc(C2CC2)sc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000093690393 1128970379 /nfs/dbraw/zinc/97/03/79/1128970379.db2.gz CGLODEHMAJROOD-UONOGXRCSA-N 0 1 294.489 3.881 20 0 CHADMN c1nc(C2CC2)sc1CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000093690393 1128970381 /nfs/dbraw/zinc/97/03/81/1128970381.db2.gz CGLODEHMAJROOD-UONOGXRCSA-N 0 1 294.489 3.881 20 0 CHADMN CC(C)c1ccc(OCCC(=O)NOc2ccccc2)cc1 ZINC000773470179 1121220183 /nfs/dbraw/zinc/22/01/83/1121220183.db2.gz NIGWQBDGAQINTM-UHFFFAOYSA-N 0 1 299.370 3.689 20 0 CHADMN CC(C)c1nc(CN2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000051157399 1121228917 /nfs/dbraw/zinc/22/89/17/1121228917.db2.gz FWFKKOHSDXIZTF-RYUDHWBXSA-N 0 1 252.427 3.744 20 0 CHADMN FC1(F)CC[C@@H](CNc2noc3ccc(Cl)cc32)C1 ZINC000562245551 1121230068 /nfs/dbraw/zinc/23/00/68/1121230068.db2.gz MYESRJIGKDCXRS-MRVPVSSYSA-N 0 1 286.709 3.750 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC[C@H](C)C1 ZINC000008142617 1121234928 /nfs/dbraw/zinc/23/49/28/1121234928.db2.gz UVKSEKHFHHXPBY-WCQYABFASA-N 0 1 294.826 3.707 20 0 CHADMN Cc1cscc1CNCc1cccc2c1OCCCO2 ZINC000094877333 1121236324 /nfs/dbraw/zinc/23/63/24/1121236324.db2.gz VNJVIAJZRZTHIF-UHFFFAOYSA-N 0 1 289.400 3.508 20 0 CHADMN CC(=O)c1ccc(Nc2cc(O)c(F)c(F)c2)cc1F ZINC001175234674 1121237225 /nfs/dbraw/zinc/23/72/25/1121237225.db2.gz WUTNMXCNVQJCTN-UHFFFAOYSA-N 0 1 281.233 3.756 20 0 CHADMN COc1ccc(OC)c([C@H](C)NCc2cscc2C)c1 ZINC000094878091 1121237646 /nfs/dbraw/zinc/23/76/46/1121237646.db2.gz AEBZUCZTRHUPKJ-LBPRGKRZSA-N 0 1 291.416 3.925 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)[C@@H]3CC34CCC4)cc2[nH]1 ZINC000675287603 1121243680 /nfs/dbraw/zinc/24/36/80/1121243680.db2.gz HCPFAWZEORSVOB-LBPRGKRZSA-N 0 1 297.402 3.989 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@@H]2CCc3ccc(O)cc32)cn1 ZINC000658242250 1121247768 /nfs/dbraw/zinc/24/77/68/1121247768.db2.gz YNJAHCAYJLKTJG-SJKOYZFVSA-N 0 1 285.391 3.508 20 0 CHADMN Cc1nonc1Nc1c(F)cccc1OCc1ccccc1 ZINC001175279320 1121250447 /nfs/dbraw/zinc/25/04/47/1121250447.db2.gz WFEPNWNDNRLMCV-UHFFFAOYSA-N 0 1 299.305 3.840 20 0 CHADMN COc1cc(Cl)ccc1CN[C@H](C)c1cccnc1 ZINC000112545863 1121256467 /nfs/dbraw/zinc/25/64/67/1121256467.db2.gz DGQSQOXQKHHMGT-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN Cc1ccc(NCc2[nH]nc3ccccc32)c(C)c1 ZINC000675334774 1121256563 /nfs/dbraw/zinc/25/65/63/1121256563.db2.gz PIKGALQIUJLOGY-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN C[C@@H]1SCCN(Cc2ccccc2Cl)[C@H]1C ZINC000112643953 1121258116 /nfs/dbraw/zinc/25/81/16/1121258116.db2.gz WRCPFMHSNUKWEP-QWRGUYRKSA-N 0 1 255.814 3.666 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@H](C(C)(C)C)CC2)o1 ZINC000112635782 1121258805 /nfs/dbraw/zinc/25/88/05/1121258805.db2.gz VXGVYQDLPWHQTN-ZDUSSCGKSA-N 0 1 279.428 3.841 20 0 CHADMN CSc1c(F)cccc1NC(=O)c1cc(C2CC2)no1 ZINC000617274977 1121264133 /nfs/dbraw/zinc/26/41/33/1121264133.db2.gz OZGGSDJLOOZKOC-UHFFFAOYSA-N 0 1 292.335 3.665 20 0 CHADMN COc1ccc([C@@H](C)NCc2c(C3CCC3)cnn2C)cc1 ZINC000658269343 1121266049 /nfs/dbraw/zinc/26/60/49/1121266049.db2.gz NOOFQKBKHFZIPC-CYBMUJFWSA-N 0 1 299.418 3.547 20 0 CHADMN Cc1ccc2oc(CN[C@@H](C)c3ccncc3)cc2c1 ZINC000152027176 1121270328 /nfs/dbraw/zinc/27/03/28/1121270328.db2.gz NJWJEKRGHBZTLB-ZDUSSCGKSA-N 0 1 266.344 3.987 20 0 CHADMN CC(C)CN(Cc1ncnn1C(C)(C)C)CC(C)(C)C ZINC000338274067 1121277630 /nfs/dbraw/zinc/27/76/30/1121277630.db2.gz IWENIJZQJGUUDE-UHFFFAOYSA-N 0 1 280.460 3.537 20 0 CHADMN Fc1ccc2c(c1)nccc2NCCOc1ccccc1 ZINC000500455496 1121281500 /nfs/dbraw/zinc/28/15/00/1121281500.db2.gz GYIMPGPQKVDZPL-UHFFFAOYSA-N 0 1 282.318 3.865 20 0 CHADMN CN(Cc1cnc(C2CC2)s1)C1CC(OC(C)(C)C)C1 ZINC000571036772 1121284461 /nfs/dbraw/zinc/28/44/61/1121284461.db2.gz LGONAQKIYQENTI-UHFFFAOYSA-N 0 1 294.464 3.798 20 0 CHADMN Cc1ccc2nc(SCc3ccc(C)nc3)[nH]c2c1 ZINC000675414978 1121286729 /nfs/dbraw/zinc/28/67/29/1121286729.db2.gz KGQIDMIWFQCELZ-UHFFFAOYSA-N 0 1 269.373 3.867 20 0 CHADMN COc1ccc2nc(SCc3ccc(C)nc3)[nH]c2c1 ZINC000675415526 1121287671 /nfs/dbraw/zinc/28/76/71/1121287671.db2.gz RKGKNZSMGZCDPS-UHFFFAOYSA-N 0 1 285.372 3.567 20 0 CHADMN Cc1[nH]c(SCc2ccccn2)nc1Cc1ccccc1 ZINC000042101345 1121292864 /nfs/dbraw/zinc/29/28/64/1121292864.db2.gz HRSPVGJHWUKQMH-UHFFFAOYSA-N 0 1 295.411 3.996 20 0 CHADMN Cc1cc(Nc2c(C)ccnc2F)c2ccccc2n1 ZINC001212553949 1121293663 /nfs/dbraw/zinc/29/36/63/1121293663.db2.gz DHWCEENNLGKWIN-UHFFFAOYSA-N 0 1 267.307 3.551 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1Cc1ccc(C(F)(F)F)s1 ZINC000432724470 1121296896 /nfs/dbraw/zinc/29/68/96/1121296896.db2.gz GFGLYJMMXHNWLJ-DTWKUNHWSA-N 0 1 263.328 3.997 20 0 CHADMN CN(CCOCC1CC1)Cc1ccc(C(F)(F)F)s1 ZINC000432725594 1121297566 /nfs/dbraw/zinc/29/75/66/1121297566.db2.gz OUKYWEISKXXTMR-UHFFFAOYSA-N 0 1 293.354 3.625 20 0 CHADMN CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cccc2ccccc21 ZINC000675459230 1121303667 /nfs/dbraw/zinc/30/36/67/1121303667.db2.gz OXFWGZPHTCHTHP-RHSMWYFYSA-N 0 1 269.388 3.839 20 0 CHADMN COc1cccc(C2(N[C@@H](C)c3cncs3)CCC2)c1 ZINC000658324195 1121303697 /nfs/dbraw/zinc/30/36/97/1121303697.db2.gz ZRAWZYJKHIYPJK-LBPRGKRZSA-N 0 1 288.416 3.882 20 0 CHADMN CC(=O)Nc1cccc(CNc2nccc(C)c2C2CC2)c1 ZINC000630955184 1128976575 /nfs/dbraw/zinc/97/65/75/1128976575.db2.gz VWBWIFXYNCUAAP-UHFFFAOYSA-N 0 1 295.386 3.838 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1CC(=O)c1cc(C)n(CC)c1C ZINC000124594568 1121305645 /nfs/dbraw/zinc/30/56/45/1121305645.db2.gz NPHLIEYFJSNGIT-IUODEOHRSA-N 0 1 276.424 3.570 20 0 CHADMN CCc1ccc(CN[C@H]2CCc3ccc(C)cc32)o1 ZINC000675471515 1121314694 /nfs/dbraw/zinc/31/46/94/1121314694.db2.gz PEWRBUDFJNQEHD-KRWDZBQOSA-N 0 1 255.361 3.928 20 0 CHADMN Cc1occc1CNCc1cnc(C2CCC2)s1 ZINC000675471851 1121315331 /nfs/dbraw/zinc/31/53/31/1121315331.db2.gz ZYMYRXYQGSOVIH-UHFFFAOYSA-N 0 1 262.378 3.602 20 0 CHADMN Cc1cc(Nc2ccc3c(cnn3C)c2)c2ccccc2n1 ZINC001175416644 1121317337 /nfs/dbraw/zinc/31/73/37/1121317337.db2.gz JUXZAVWOAJGKLN-UHFFFAOYSA-N 0 1 288.354 3.595 20 0 CHADMN Cc1ccc([C@@H]2CCC[C@H]2N(C)Cc2cocn2)cc1 ZINC000432749409 1121319073 /nfs/dbraw/zinc/31/90/73/1121319073.db2.gz UNBCZRXBRSDJCY-DLBZAZTESA-N 0 1 270.376 3.751 20 0 CHADMN CN(Cc1ccc(C(F)(F)F)s1)C[C@@H]1CCCCO1 ZINC000432753412 1121322190 /nfs/dbraw/zinc/32/21/90/1121322190.db2.gz UPZPASOUMWYVHQ-JTQLQIEISA-N 0 1 293.354 3.768 20 0 CHADMN CCCc1cc(C(=O)N(CC(C)C)CC(C)(C)C)n[nH]1 ZINC000675572697 1121326259 /nfs/dbraw/zinc/32/62/59/1121326259.db2.gz ZBKOICIGCMOZMP-UHFFFAOYSA-N 0 1 279.428 3.507 20 0 CHADMN CCCC[C@@H](CC)CCN1CCC[C@@H]1c1nncn1C ZINC000438096790 1121326302 /nfs/dbraw/zinc/32/63/02/1121326302.db2.gz KMZZLMNYTCBKNW-HUUCEWRRSA-N 0 1 278.444 3.559 20 0 CHADMN Cc1cc(C)nc(Nc2ccc3n[nH]cc3c2C)c1 ZINC001175466856 1121330515 /nfs/dbraw/zinc/33/05/15/1121330515.db2.gz XODQXTHFJQVPPZ-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN CC[C@@H](NCc1n[nH]c(C(C)(C)C)n1)c1ccc(C)cc1 ZINC000432776596 1121336848 /nfs/dbraw/zinc/33/68/48/1121336848.db2.gz PSOKHSQKLYNTQY-CQSZACIVSA-N 0 1 286.423 3.652 20 0 CHADMN CC[C@H](NCc1n[nH]c(C(C)(C)C)n1)c1ccc(C)cc1 ZINC000432776595 1121337327 /nfs/dbraw/zinc/33/73/27/1121337327.db2.gz PSOKHSQKLYNTQY-AWEZNQCLSA-N 0 1 286.423 3.652 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2ccn(-c3ccccc3F)n2)C1 ZINC000429577228 1121339749 /nfs/dbraw/zinc/33/97/49/1121339749.db2.gz FAKZLMPRUMKTKZ-ZFWWWQNUSA-N 0 1 287.382 3.632 20 0 CHADMN CC[C@@H](NCc1ccnn1CC)c1cccc(Cl)c1 ZINC000125199645 1121344407 /nfs/dbraw/zinc/34/44/07/1121344407.db2.gz RCRLDIBGOGAMEH-OAHLLOKOSA-N 0 1 277.799 3.797 20 0 CHADMN CC1(CN2CCc3[nH]c4ccc(F)cc4c3C2)CCC1 ZINC000432784882 1121348525 /nfs/dbraw/zinc/34/85/25/1121348525.db2.gz JDBVRPNULZQNOA-UHFFFAOYSA-N 0 1 272.367 3.855 20 0 CHADMN Cc1cccc2c1CC[C@H]2NCc1cccnc1OC(C)C ZINC000675750442 1121349443 /nfs/dbraw/zinc/34/94/43/1121349443.db2.gz LSSNLGBFEVFPKQ-GOSISDBHSA-N 0 1 296.414 3.954 20 0 CHADMN Cc1cc(C)nc(Nc2cc3c[nH]nc3c(C)c2)c1 ZINC001175516137 1121356947 /nfs/dbraw/zinc/35/69/47/1121356947.db2.gz MTCZIADSBCRPLI-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN C[C@@H](N[C@@H]1CSCc2ccccc21)c1ccoc1 ZINC000675783076 1121360714 /nfs/dbraw/zinc/36/07/14/1121360714.db2.gz SVKAXVLVMJUXSC-IAQYHMDHSA-N 0 1 259.374 3.918 20 0 CHADMN CC(C)c1nn(-c2ccccc2)c(Cl)c1CNC1CC1 ZINC000236629074 1121360869 /nfs/dbraw/zinc/36/08/69/1121360869.db2.gz BIQYSLDXLIUNMB-UHFFFAOYSA-N 0 1 289.810 3.901 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(F)nc(F)c1Cl ZINC001175524427 1121362310 /nfs/dbraw/zinc/36/23/10/1121362310.db2.gz UBAKXRKKVBUTGL-UHFFFAOYSA-N 0 1 294.692 3.942 20 0 CHADMN COc1cc(Cl)nc(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175522973 1121363248 /nfs/dbraw/zinc/36/32/48/1121363248.db2.gz CHIUORZJVUXIEL-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ncccc1OC(F)F ZINC001175522909 1121363825 /nfs/dbraw/zinc/36/38/25/1121363825.db2.gz APMWUPHDYSWJNY-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN COc1ccc(Nc2c3cn[nH]c3ccc2C)cc1F ZINC001175525697 1121365088 /nfs/dbraw/zinc/36/50/88/1121365088.db2.gz GPTLNHQZMSJMOR-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1nnc(C(C)(C)C)s1 ZINC001175525059 1121365772 /nfs/dbraw/zinc/36/57/72/1121365772.db2.gz ISHGAUPYPCQQFV-UHFFFAOYSA-N 0 1 287.392 3.764 20 0 CHADMN CCc1ccc(C)nc1Nc1c2cn[nH]c2ccc1C ZINC001175525496 1121365879 /nfs/dbraw/zinc/36/58/79/1121365879.db2.gz KIVCILSTMKAYFQ-UHFFFAOYSA-N 0 1 266.348 3.881 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1nc(C)c(C)nc1Cl ZINC001175524809 1121366422 /nfs/dbraw/zinc/36/64/22/1121366422.db2.gz XOVUCXRGPUIHFH-UHFFFAOYSA-N 0 1 287.754 3.675 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(CC(C)C)no1 ZINC001175525567 1121366711 /nfs/dbraw/zinc/36/67/11/1121366711.db2.gz NIAUUZZWYPNNOW-UHFFFAOYSA-N 0 1 270.336 3.801 20 0 CHADMN COc1cc(F)cc(OC)c1CNCc1sccc1C ZINC000631051990 1128980899 /nfs/dbraw/zinc/98/08/99/1128980899.db2.gz LZCNYRTZWDIRKL-UHFFFAOYSA-N 0 1 295.379 3.503 20 0 CHADMN Cc1nc(Nc2c3cn[nH]c3ccc2C)sc1C ZINC001175526454 1121368450 /nfs/dbraw/zinc/36/84/50/1121368450.db2.gz WAWCVHUXIGHFGC-UHFFFAOYSA-N 0 1 258.350 3.688 20 0 CHADMN COC(=O)c1ccc(Nc2c3cn[nH]c3ccc2C)c(F)c1 ZINC001175526719 1121369414 /nfs/dbraw/zinc/36/94/14/1121369414.db2.gz QJIPJMDXPLUEGT-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN CCCCc1ccc([C@H](C)NCc2cc(C)n[nH]2)cc1 ZINC000675892173 1121377229 /nfs/dbraw/zinc/37/72/29/1121377229.db2.gz LSQXOXXASUJENU-AWEZNQCLSA-N 0 1 271.408 3.912 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@@H](C)c1c(C)noc1C ZINC000675896109 1121377424 /nfs/dbraw/zinc/37/74/24/1121377424.db2.gz QTWRUPAHWVXHLY-ZUZCIYMTSA-N 0 1 286.375 3.638 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1ccnn1CC1CCC1 ZINC000631054792 1128981699 /nfs/dbraw/zinc/98/16/99/1128981699.db2.gz VRWBVEYRHPXBOD-SFHVURJKSA-N 0 1 299.393 3.599 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2NCc1ccnn1CC1CCC1 ZINC000631054405 1128981746 /nfs/dbraw/zinc/98/17/46/1128981746.db2.gz OMJSBKLTXWXKLQ-SFHVURJKSA-N 0 1 299.393 3.599 20 0 CHADMN C[C@@H](NC[C@@](C)(O)C(F)F)c1cc(Cl)ccc1Cl ZINC000704981002 1121387301 /nfs/dbraw/zinc/38/73/01/1121387301.db2.gz UBFUICGENHIBOL-JMCQJSRRSA-N 0 1 298.160 3.660 20 0 CHADMN C[C@@H](c1ccncc1)[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932198882 1121387309 /nfs/dbraw/zinc/38/73/09/1121387309.db2.gz LYZLDDVKJHERFJ-UONOGXRCSA-N 0 1 287.432 3.554 20 0 CHADMN Fc1ccc(CN[C@@H]2CCc3c2cccc3Cl)nc1 ZINC000675938918 1121388882 /nfs/dbraw/zinc/38/88/82/1121388882.db2.gz OXILEXMXEJNLEL-OAHLLOKOSA-N 0 1 276.742 3.651 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3c2cccc3O)c(F)c1 ZINC000631063410 1128982304 /nfs/dbraw/zinc/98/23/04/1128982304.db2.gz FYTMAGGBTDNNQN-INIZCTEOSA-N 0 1 271.335 3.617 20 0 CHADMN CN1CCC=C(Nc2nc3cccc(Cl)c3s2)C1 ZINC001175574250 1121392978 /nfs/dbraw/zinc/39/29/78/1121392978.db2.gz RLZVXBNEKWZPFC-UHFFFAOYSA-N 0 1 279.796 3.581 20 0 CHADMN CCC[C@@H](NCCOC1CCC1)c1ncccc1Cl ZINC000925894658 1121393079 /nfs/dbraw/zinc/39/30/79/1121393079.db2.gz ICJOIPFXLPDVPY-CQSZACIVSA-N 0 1 282.815 3.735 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1Cc1nnc(C(C)(C)C)[nH]1 ZINC000432824307 1121394649 /nfs/dbraw/zinc/39/46/49/1121394649.db2.gz SAPZGUUBJXUXBE-STQMWFEESA-N 0 1 278.444 3.503 20 0 CHADMN CCC[C@@H](NCc1ccnn1CC1CCC1)c1ccccn1 ZINC000631066708 1128982514 /nfs/dbraw/zinc/98/25/14/1128982514.db2.gz LYRQJNMSRURXGW-QGZVFWFLSA-N 0 1 298.434 3.709 20 0 CHADMN CC(C)n1nc(-c2ccccc2)cc1NC1=CCCN(C)C1 ZINC001175576297 1121396378 /nfs/dbraw/zinc/39/63/78/1121396378.db2.gz HGNXHZDTQJWNGD-UHFFFAOYSA-N 0 1 296.418 3.762 20 0 CHADMN C[N@H+](Cc1nnc(C(C)(C)C)[nH]1)C1CCC(C)(C)CC1 ZINC000432837585 1121401350 /nfs/dbraw/zinc/40/13/50/1121401350.db2.gz UXCGWEOHPMLJFL-UHFFFAOYSA-N 0 1 278.444 3.503 20 0 CHADMN COc1ccc([C@H]2COCCN2CC2CC(C)(C)C2)cc1 ZINC001175639127 1121403896 /nfs/dbraw/zinc/40/38/96/1121403896.db2.gz WQCIEMJCQYNJAR-QGZVFWFLSA-N 0 1 289.419 3.505 20 0 CHADMN CC(C)[C@@H](O)CNC1(c2c(Cl)cccc2Cl)CC1 ZINC000432842464 1121404446 /nfs/dbraw/zinc/40/44/46/1121404446.db2.gz ZAISYVGVXSOAQV-LBPRGKRZSA-N 0 1 288.218 3.589 20 0 CHADMN COc1cncc(CNCc2ccc(Cl)c(C)c2)c1C ZINC000631110629 1128985291 /nfs/dbraw/zinc/98/52/91/1128985291.db2.gz DFTSSZWCEIBVCA-UHFFFAOYSA-N 0 1 290.794 3.650 20 0 CHADMN CCCN(C/C(Cl)=C\Cl)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000763559902 1128983795 /nfs/dbraw/zinc/98/37/95/1128983795.db2.gz IDRZWZBZSDKQAD-SZWSXPHFSA-N 0 1 292.250 3.831 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cnccc3C3CC3)cc21 ZINC001175694570 1121414906 /nfs/dbraw/zinc/41/49/06/1121414906.db2.gz RVQLHHTYMKNVTL-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4cn(C)nc4c3)cc12 ZINC001175698747 1121415938 /nfs/dbraw/zinc/41/59/38/1121415938.db2.gz FAKPSUFXMDCBFP-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1nc2ccccn2c1Nc1ccc2n[nH]c(C)c2c1 ZINC001175696074 1121416240 /nfs/dbraw/zinc/41/62/40/1121416240.db2.gz QBAMDXGBHOPSBI-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cn(C4CCC4)cn3)cc12 ZINC001175698824 1121416448 /nfs/dbraw/zinc/41/64/48/1121416448.db2.gz GSPSJELJJLPPHW-UHFFFAOYSA-N 0 1 267.336 3.536 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cnc(C)cc3C)cc21 ZINC001175696440 1121416496 /nfs/dbraw/zinc/41/64/96/1121416496.db2.gz XKMBJPBLAMGVJM-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccnn3C3CCC3)cc12 ZINC001175698885 1121416607 /nfs/dbraw/zinc/41/66/07/1121416607.db2.gz IZKWRIFXZONQPI-UHFFFAOYSA-N 0 1 267.336 3.536 20 0 CHADMN CNc1ccnc(Cl)c1Nc1ccc2n[nH]c(C)c2c1 ZINC001175696387 1121416826 /nfs/dbraw/zinc/41/68/26/1121416826.db2.gz WLAUNTKRJCYTQN-UHFFFAOYSA-N 0 1 287.754 3.705 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cn(CC4CCC4)cn3)cc12 ZINC001175698591 1121416833 /nfs/dbraw/zinc/41/68/33/1121416833.db2.gz AXUZCODWONQFSQ-UHFFFAOYSA-N 0 1 281.363 3.612 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4cnn(C)c4c3)cc12 ZINC001175699872 1121417712 /nfs/dbraw/zinc/41/77/12/1121417712.db2.gz VCAQMMOFUKKXBJ-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1[nH]nc2ccc(Nc3c[nH]c4cc(=O)ccc-4c3)cc12 ZINC001175699938 1121417735 /nfs/dbraw/zinc/41/77/35/1121417735.db2.gz XKZWGAFGTKNZQK-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(O)cc3C)cc12 ZINC001175700229 1121417851 /nfs/dbraw/zinc/41/78/51/1121417851.db2.gz HQODIJCQFPYLNP-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccnn3CC3CCC3)cc12 ZINC001175699914 1121417863 /nfs/dbraw/zinc/41/78/63/1121417863.db2.gz WDNDFWWAORMBJF-UHFFFAOYSA-N 0 1 281.363 3.612 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4ncn(C)c4c3)cc12 ZINC001175699818 1121417877 /nfs/dbraw/zinc/41/78/77/1121417877.db2.gz FKSVVDINDHJKTF-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN COC(=O)c1cc(Nc2ccc3n[nH]c(C)c3c2)ccc1C ZINC001175700302 1121418224 /nfs/dbraw/zinc/41/82/24/1121418224.db2.gz IYPYCCKTMZQHDD-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1nn(C)c2ccc(Nc3ccc4n[nH]c(C)c4c3)cc12 ZINC001175700747 1121419318 /nfs/dbraw/zinc/41/93/18/1121419318.db2.gz VPULMUBDVWRTJE-UHFFFAOYSA-N 0 1 291.358 3.810 20 0 CHADMN CC(=O)c1ccsc1Nc1ccc2c(C)[nH]nc2c1 ZINC001175657057 1121421718 /nfs/dbraw/zinc/42/17/18/1121421718.db2.gz OBOVLDZQJKEGCQ-UHFFFAOYSA-N 0 1 271.345 3.879 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(C)nc3Cl)ccc12 ZINC001175656272 1121421781 /nfs/dbraw/zinc/42/17/81/1121421781.db2.gz CXJARWFFUGVGNW-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN CC(C)(C)C1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000512541582 1121422410 /nfs/dbraw/zinc/42/24/10/1121422410.db2.gz GEHGIIGOFRDIFC-UHFFFAOYSA-N 0 1 271.408 3.821 20 0 CHADMN Cc1scc(CNc2ccc3c(c2)CN(C)C3)c1C ZINC000631095149 1128984344 /nfs/dbraw/zinc/98/43/44/1128984344.db2.gz UYIQELKGQPWYBZ-UHFFFAOYSA-N 0 1 272.417 3.922 20 0 CHADMN Cc1[nH]nc2cc(Nc3nc4c(cccc4O)s3)ccc12 ZINC001175658980 1121422805 /nfs/dbraw/zinc/42/28/05/1121422805.db2.gz BXWLTEFZZGATED-UHFFFAOYSA-N 0 1 296.355 3.930 20 0 CHADMN Cc1[nH]nc2cc(Nc3cnc(Cl)c(C)c3)ccc12 ZINC001175659242 1121422823 /nfs/dbraw/zinc/42/28/23/1121422823.db2.gz IBZVDHGBCWQZHY-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1[nH]nc2cc(Nc3cncc(Cl)c3)ccc12 ZINC001175659507 1121422997 /nfs/dbraw/zinc/42/29/97/1121422997.db2.gz LMRMIGXMHJTUTO-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN COc1c(F)cccc1CN(C)[C@@H]1CCc2ccccc21 ZINC001143534793 1121424462 /nfs/dbraw/zinc/42/44/62/1121424462.db2.gz YTSPWDAIJVOBEJ-QGZVFWFLSA-N 0 1 285.362 3.954 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(C(C)C)no3)ccc12 ZINC001175660033 1121424941 /nfs/dbraw/zinc/42/49/41/1121424941.db2.gz UHHIKTMSFWHXIM-UHFFFAOYSA-N 0 1 256.309 3.726 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)NC(C(C)C)C(C)C)o1 ZINC000676330135 1121425498 /nfs/dbraw/zinc/42/54/98/1121425498.db2.gz QJNLPLLNELTESZ-UHFFFAOYSA-N 0 1 294.439 3.532 20 0 CHADMN c1ccc2sc([C@H]3CCCN3[C@H]3CCCOC3)nc2c1 ZINC000676369147 1121428184 /nfs/dbraw/zinc/42/81/84/1121428184.db2.gz BXOBWRSULZQHIY-GXTWGEPZSA-N 0 1 288.416 3.612 20 0 CHADMN COc1cccc(C(C)=O)c1Nc1ccc2c(C)[nH]nc2c1 ZINC001175663321 1121428317 /nfs/dbraw/zinc/42/83/17/1121428317.db2.gz XJQUNSYXQYBDOF-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN c1n[nH]c2c1CCN(Cc1ccc(C3CCCC3)cc1)C2 ZINC000676373876 1121429383 /nfs/dbraw/zinc/42/93/83/1121429383.db2.gz UIFMJKJILRJEOO-UHFFFAOYSA-N 0 1 281.403 3.626 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCc3ccc(C)cn3)n2)cc1 ZINC000676411182 1121431073 /nfs/dbraw/zinc/43/10/73/1121431073.db2.gz MAWKVZFPRZQCBM-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN Cc1nc(CNC(C)(C)CC(F)(F)F)sc1C ZINC000893874196 1121434608 /nfs/dbraw/zinc/43/46/08/1121434608.db2.gz HUELBGASVNVDIT-UHFFFAOYSA-N 0 1 266.332 3.581 20 0 CHADMN CSC1CC(N[C@H](c2ccco2)c2ccccc2)C1 ZINC000706741067 1121437712 /nfs/dbraw/zinc/43/77/12/1121437712.db2.gz FDLVGYXYSHLVAG-XUJLQICISA-N 0 1 273.401 3.853 20 0 CHADMN Oc1ccc(-c2ncc(N=C3CCCCC3)cn2)cc1 ZINC001175752236 1121438990 /nfs/dbraw/zinc/43/89/90/1121438990.db2.gz REZDJMPOXAMXRF-UHFFFAOYSA-N 0 1 267.332 3.719 20 0 CHADMN Cc1noc2ncc(CN(C)[C@@H](C)c3ccc(F)cc3)cc12 ZINC000893915180 1121439197 /nfs/dbraw/zinc/43/91/97/1121439197.db2.gz QKDCAUFFKWLPIY-LBPRGKRZSA-N 0 1 299.349 3.863 20 0 CHADMN CCOC(=O)c1ncc(N=C2CCCCC2)cc1Cl ZINC001175752279 1121440382 /nfs/dbraw/zinc/44/03/82/1121440382.db2.gz SKFJEGFNBIQCMZ-UHFFFAOYSA-N 0 1 280.755 3.782 20 0 CHADMN CCc1ccc(CN(Cc2ocnc2C)C2CC2)cc1 ZINC000893929119 1121441672 /nfs/dbraw/zinc/44/16/72/1121441672.db2.gz NJGAJVSNWBJHCL-UHFFFAOYSA-N 0 1 270.376 3.710 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1[nH]nc(C)c1C ZINC000893945640 1121444698 /nfs/dbraw/zinc/44/46/98/1121444698.db2.gz FIVKUAUFHWGHBE-GOSISDBHSA-N 0 1 299.418 3.545 20 0 CHADMN CCN(Cc1ocnc1C)[C@@H](C)c1cccc(OC)c1 ZINC000893952959 1121446745 /nfs/dbraw/zinc/44/67/45/1121446745.db2.gz XOOCRUKIORKEIB-ZDUSSCGKSA-N 0 1 274.364 3.575 20 0 CHADMN Oc1ccc2c(c1)[C@@H](NCc1ccc(C(F)F)nc1)CC2 ZINC000631175373 1128989892 /nfs/dbraw/zinc/98/98/92/1128989892.db2.gz OBHAKDVMPJNIKH-AWEZNQCLSA-N 0 1 290.313 3.502 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc3onc(C)c3c2)s1 ZINC000893999067 1121452784 /nfs/dbraw/zinc/45/27/84/1121452784.db2.gz PLLZRYZBBCHEFH-UHFFFAOYSA-N 0 1 287.388 3.533 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1ccc2oc(=O)oc2c1 ZINC000894005806 1121454116 /nfs/dbraw/zinc/45/41/16/1121454116.db2.gz LERXHAUEQJOMFE-LBPRGKRZSA-N 0 1 295.338 3.505 20 0 CHADMN Cc1ncoc1CN1CCCCC[C@@H]1c1ccco1 ZINC000894025955 1121457923 /nfs/dbraw/zinc/45/79/23/1121457923.db2.gz ATOSVRZQFYICKX-CYBMUJFWSA-N 0 1 260.337 3.693 20 0 CHADMN C[C@@H]1SCC[C@H]1NCc1csc(-c2cccs2)n1 ZINC000647258080 1121460424 /nfs/dbraw/zinc/46/04/24/1121460424.db2.gz MSJAUJUQLXNXGQ-GXSJLCMTSA-N 0 1 296.486 3.855 20 0 CHADMN COc1cc(Nc2ccc(Cl)c(OC)c2)ncc1C ZINC001175771827 1121460639 /nfs/dbraw/zinc/46/06/39/1121460639.db2.gz TXXZOWYPLAVJEI-UHFFFAOYSA-N 0 1 278.739 3.804 20 0 CHADMN COc1c(F)cc(F)cc1CN1CCC12CCCCC2 ZINC001143551525 1121466132 /nfs/dbraw/zinc/46/61/32/1121466132.db2.gz BDXWCGPHYNGDNK-UHFFFAOYSA-N 0 1 281.346 3.882 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2ocnc2C)o1 ZINC000894086225 1121466450 /nfs/dbraw/zinc/46/64/50/1121466450.db2.gz ZLJWMADMXZPONH-SMDDNHRTSA-N 0 1 274.364 3.858 20 0 CHADMN C[C@H](C[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)CC(C)(C)C ZINC000709280538 1121471026 /nfs/dbraw/zinc/47/10/26/1121471026.db2.gz KAXQHOKXZVAYIL-XGUBFFRZSA-N 0 1 281.440 3.776 20 0 CHADMN Cc1ccc([C@@H](N[C@H](C)c2cn(C)cn2)C2CC2)cc1 ZINC000710145142 1121473167 /nfs/dbraw/zinc/47/31/67/1121473167.db2.gz FMXMNBAJGCPPCZ-CXAGYDPISA-N 0 1 269.392 3.530 20 0 CHADMN Cc1cc(CNC[C@@H](C)Oc2ccc(C(C)C)cc2)on1 ZINC000631134637 1128986832 /nfs/dbraw/zinc/98/68/32/1128986832.db2.gz HLDWUXWCHWIUEP-CQSZACIVSA-N 0 1 288.391 3.664 20 0 CHADMN Fc1ccc(CNc2ccc3c[nH]nc3c2)c(Cl)c1 ZINC000219172827 1121477748 /nfs/dbraw/zinc/47/77/48/1121477748.db2.gz MVBQAIJYXRXFIO-UHFFFAOYSA-N 0 1 275.714 3.968 20 0 CHADMN O=c1cc(Nc2ccc(-c3cccnc3)cc2)nc(Cl)[nH]1 ZINC001175887348 1121477894 /nfs/dbraw/zinc/47/78/94/1121477894.db2.gz JVKMSNFYNXDUFH-UHFFFAOYSA-N 0 1 298.733 3.641 20 0 CHADMN Cc1cccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)c1F ZINC000545725658 1121479556 /nfs/dbraw/zinc/47/95/56/1121479556.db2.gz LZOZJPYBMDCJBU-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1cc(F)cc(Cl)c1O ZINC000450686144 1121480311 /nfs/dbraw/zinc/48/03/11/1121480311.db2.gz MAFPZOKNLGWVKA-OYNCUSHFSA-N 0 1 283.730 3.559 20 0 CHADMN C[C@@H]1CN(Cc2csc(Cl)c2Cl)[C@H](C)CN1C ZINC000432922650 1121481194 /nfs/dbraw/zinc/48/11/94/1121481194.db2.gz AWEMYSRNHLFOLO-RKDXNWHRSA-N 0 1 293.263 3.579 20 0 CHADMN OCc1cc(Nc2ccc3[nH]c4ccccc4c3c2)ccn1 ZINC001175856148 1121483287 /nfs/dbraw/zinc/48/32/87/1121483287.db2.gz WIAMRKXFIFQPEN-UHFFFAOYSA-N 0 1 289.338 3.952 20 0 CHADMN Fc1ccc([C@@H]2CCCN(Cc3cocn3)CC2)cc1 ZINC000432916670 1121483359 /nfs/dbraw/zinc/48/33/59/1121483359.db2.gz IUBIPLVKUOAVKC-CYBMUJFWSA-N 0 1 274.339 3.583 20 0 CHADMN Cc1ccc(CN(C)CC2CCCC2)c(Cl)n1 ZINC000711193479 1121493261 /nfs/dbraw/zinc/49/32/61/1121493261.db2.gz VFDLLBQYUYKBCJ-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN Cn1nc(CNCc2cccc3ccccc32)cc1C1CC1 ZINC000922955713 1121497816 /nfs/dbraw/zinc/49/78/16/1121497816.db2.gz VRSHCHKMWWMLOS-UHFFFAOYSA-N 0 1 291.398 3.741 20 0 CHADMN CSC[C@@H]1CCCN(Cc2nc(C3CC3)cs2)C1 ZINC000429275305 1121499707 /nfs/dbraw/zinc/49/97/07/1121499707.db2.gz BSCWSYOTDLOPIP-LLVKDONJSA-N 0 1 282.478 3.596 20 0 CHADMN CCSc1cccc(CNCc2c(C)noc2CC)c1 ZINC000922985136 1121502988 /nfs/dbraw/zinc/50/29/88/1121502988.db2.gz VYSUUIFTXKJTGT-UHFFFAOYSA-N 0 1 290.432 3.947 20 0 CHADMN CCc1onc(C)c1CNCc1ccc(C)c(Cl)c1 ZINC000922983358 1121503423 /nfs/dbraw/zinc/50/34/23/1121503423.db2.gz LJDUQYVBQRWYQB-UHFFFAOYSA-N 0 1 278.783 3.797 20 0 CHADMN C[C@@H](NCc1ccncc1)c1cc(Cl)cc2c1OCC2 ZINC000922987588 1121504487 /nfs/dbraw/zinc/50/44/87/1121504487.db2.gz VQWWZIKEWHQEOG-LLVKDONJSA-N 0 1 288.778 3.521 20 0 CHADMN CC[C@@H](N[C@H](CC)c1ccc(C)cc1)c1ccn(C)n1 ZINC000543600999 1121508139 /nfs/dbraw/zinc/50/81/39/1121508139.db2.gz UOCGTOJWRAXCIW-HZPDHXFCSA-N 0 1 271.408 3.921 20 0 CHADMN C[C@@H]1CCCN(Cc2nc3ccc(Cl)cc3n2C)[C@@H]1C ZINC000512652340 1121509534 /nfs/dbraw/zinc/50/95/34/1121509534.db2.gz MCVBZJOXBMYISB-VXGBXAGGSA-N 0 1 291.826 3.847 20 0 CHADMN COc1cc(Cl)ccc1CN1CCC[C@H](CSC)C1 ZINC000429288853 1121512254 /nfs/dbraw/zinc/51/22/54/1121512254.db2.gz CINXOZBUUHPRSB-LBPRGKRZSA-N 0 1 299.867 3.924 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNC2([C@H]3CCCCO3)CC2)o1 ZINC000923028007 1121512802 /nfs/dbraw/zinc/51/28/02/1121512802.db2.gz REWQIHLRKNPJOY-XNRPHZJLSA-N 0 1 275.392 3.594 20 0 CHADMN Cc1nc(C)c(CN[C@@]2(C)CCOc3ccccc32)s1 ZINC000923024199 1121513835 /nfs/dbraw/zinc/51/38/35/1121513835.db2.gz HFXHNYNTIYQHDH-INIZCTEOSA-N 0 1 288.416 3.547 20 0 CHADMN Cc1nc([C@H](C)NC[C@H]2CCC(C)(C)CO2)c(C)s1 ZINC000711295155 1121516137 /nfs/dbraw/zinc/51/61/37/1121516137.db2.gz OLKHEAASXXDNMO-GXFFZTMASA-N 0 1 282.453 3.616 20 0 CHADMN Cc1ccc(-n2[nH]c(-c3ccc(Cl)cc3)cc2=O)cc1 ZINC000614185366 1121516156 /nfs/dbraw/zinc/51/61/56/1121516156.db2.gz PIJIKXQRMCELNQ-UHFFFAOYSA-N 0 1 284.746 3.789 20 0 CHADMN c1cc2c(cccc2Nc2ccc3nn[nH]c3c2)s1 ZINC001176001758 1121519510 /nfs/dbraw/zinc/51/95/10/1121519510.db2.gz ARZVCIWLVRZNEM-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN c1cc2c(cccc2Nc2ccc3n[nH]nc3c2)s1 ZINC001176001758 1121519515 /nfs/dbraw/zinc/51/95/15/1121519515.db2.gz ARZVCIWLVRZNEM-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN CC(=O)c1cc(Cl)ccc1Nc1ccc2nn[nH]c2c1 ZINC001176004477 1121521416 /nfs/dbraw/zinc/52/14/16/1121521416.db2.gz OEEAPENTWBRVOW-UHFFFAOYSA-N 0 1 286.722 3.558 20 0 CHADMN CC(=O)c1cc(Cl)ccc1Nc1ccc2n[nH]nc2c1 ZINC001176004477 1121521420 /nfs/dbraw/zinc/52/14/20/1121521420.db2.gz OEEAPENTWBRVOW-UHFFFAOYSA-N 0 1 286.722 3.558 20 0 CHADMN CCc1ncc(CN[C@](C)(CC)c2ccc(F)cc2)cn1 ZINC000631193332 1128991130 /nfs/dbraw/zinc/99/11/30/1128991130.db2.gz CREJLRFIYXHVBI-QGZVFWFLSA-N 0 1 287.382 3.593 20 0 CHADMN c1cc(C2CCC2)ccc1CN1CCO[C@H](C2CC2)C1 ZINC000512687748 1121528868 /nfs/dbraw/zinc/52/88/68/1121528868.db2.gz WTIKPNNYBRLYBJ-SFHVURJKSA-N 0 1 271.404 3.565 20 0 CHADMN COC(=O)c1scc(-c2ccccc2)c1Nc1ncc[nH]1 ZINC001176079988 1121533271 /nfs/dbraw/zinc/53/32/71/1121533271.db2.gz OEBIOLSNGCKYNA-UHFFFAOYSA-N 0 1 299.355 3.668 20 0 CHADMN CC(C)(C)c1csc(CNC[C@H]2CCC3(CCC3)O2)n1 ZINC000711495219 1121542577 /nfs/dbraw/zinc/54/25/77/1121542577.db2.gz JGJNSXIMSAAQTB-GFCCVEGCSA-N 0 1 294.464 3.632 20 0 CHADMN c1nc(CN2CCC[C@@H](c3ccccc3)C2)oc1C1CC1 ZINC000433074015 1121550594 /nfs/dbraw/zinc/55/05/94/1121550594.db2.gz HNRXBEASSBDPLW-MRXNPFEDSA-N 0 1 282.387 3.932 20 0 CHADMN c1ncc(CNc2cccc(COC3CCCCC3)c2)[nH]1 ZINC000894113644 1121554908 /nfs/dbraw/zinc/55/49/08/1121554908.db2.gz RZRPWUWTBPMLFW-UHFFFAOYSA-N 0 1 285.391 3.871 20 0 CHADMN FC(F)(F)c1cnc(CN[C@]23C[C@H]2CCCC3)s1 ZINC000631228545 1128993754 /nfs/dbraw/zinc/99/37/54/1128993754.db2.gz ZJSUSKXZEWZPDC-LDYMZIIASA-N 0 1 276.327 3.584 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000625971584 1121562657 /nfs/dbraw/zinc/56/26/57/1121562657.db2.gz JWYZAZQTMTXAJB-BAABZTOOSA-N 0 1 273.376 3.563 20 0 CHADMN CC[C@@H](COc1ccccc1-c1nnc[nH]1)CC(F)F ZINC000663989492 1121562716 /nfs/dbraw/zinc/56/27/16/1121562716.db2.gz QAJHAELOYVRTPO-SNVBAGLBSA-N 0 1 281.306 3.532 20 0 CHADMN Cc1noc(C)c1Nc1cc(-c2ccc(F)c(F)c2)no1 ZINC001176177666 1121562695 /nfs/dbraw/zinc/56/26/95/1121562695.db2.gz UTQLVHGUCITEGG-UHFFFAOYSA-N 0 1 291.257 3.968 20 0 CHADMN COc1ccc(-c2cc(Nc3c(C)noc3C)on2)cc1 ZINC001176176282 1121562887 /nfs/dbraw/zinc/56/28/87/1121562887.db2.gz KRJUEQLGTYCLSF-UHFFFAOYSA-N 0 1 285.303 3.699 20 0 CHADMN CCc1nnc([C@H](C)N[C@H](c2cccc(C)c2)C(C)C)[nH]1 ZINC000625984709 1121569346 /nfs/dbraw/zinc/56/93/46/1121569346.db2.gz IYYUZTOXKIKADH-BBRMVZONSA-N 0 1 286.423 3.723 20 0 CHADMN COc1ccnc([C@@H](C)N[C@@H]2CCc3ccc(F)cc32)c1 ZINC000925374430 1121572060 /nfs/dbraw/zinc/57/20/60/1121572060.db2.gz NRXFDZYYUJLXPM-BDJLRTHQSA-N 0 1 286.350 3.567 20 0 CHADMN COCCN(Cc1ccc(C)c(C)c1)Cc1cccnc1C ZINC001176203030 1121574302 /nfs/dbraw/zinc/57/43/02/1121574302.db2.gz SSBNLWMUIXIRTQ-UHFFFAOYSA-N 0 1 298.430 3.655 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000923468532 1121576996 /nfs/dbraw/zinc/57/69/96/1121576996.db2.gz BGEXJGHOYMHDFV-RHSMWYFYSA-N 0 1 281.440 3.780 20 0 CHADMN CCc1ccccc1NC(=O)CN1CC[C@H](CC(C)C)C1 ZINC000466728223 1121577122 /nfs/dbraw/zinc/57/71/22/1121577122.db2.gz HTGCXULHCPYCDX-OAHLLOKOSA-N 0 1 288.435 3.556 20 0 CHADMN CCC(C)(C)CN[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000429428928 1121578847 /nfs/dbraw/zinc/57/88/47/1121578847.db2.gz PUUXVPIDCKRJHR-MRXNPFEDSA-N 0 1 287.382 3.731 20 0 CHADMN COc1cccc(CCCN2Cc3cccc(OC)c3C2)c1 ZINC000626021854 1121581390 /nfs/dbraw/zinc/58/13/90/1121581390.db2.gz SNNRDFRNWOEDAZ-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN COc1cccc2c1CN(CCCc1ccccc1)C2 ZINC000626021204 1121582283 /nfs/dbraw/zinc/58/22/83/1121582283.db2.gz RYBSIRRMMAKLFT-UHFFFAOYSA-N 0 1 267.372 3.644 20 0 CHADMN Cc1nocc1CN[C@@H](CC1CC1)c1ccccc1 ZINC000645157090 1121582771 /nfs/dbraw/zinc/58/27/71/1121582771.db2.gz YROVJRKESYXVJD-INIZCTEOSA-N 0 1 256.349 3.614 20 0 CHADMN C[C@@H](C(=O)Nc1ccccc1Nc1ccncc1)C1CCC1 ZINC000614254901 1121582800 /nfs/dbraw/zinc/58/28/00/1121582800.db2.gz LCGSOGFVJGYITJ-CYBMUJFWSA-N 0 1 295.386 3.622 20 0 CHADMN C[N@@H+](CCCF)Cc1cccc(Br)c1Cl ZINC001176281310 1121586382 /nfs/dbraw/zinc/58/63/82/1121586382.db2.gz MLPKWCDCQYKSEW-UHFFFAOYSA-N 0 1 294.595 3.894 20 0 CHADMN CN(CCCF)Cc1cccc(Br)c1Cl ZINC001176281310 1121586388 /nfs/dbraw/zinc/58/63/88/1121586388.db2.gz MLPKWCDCQYKSEW-UHFFFAOYSA-N 0 1 294.595 3.894 20 0 CHADMN Cc1ccc2nc(SCC(=O)CCC(C)C)[nH]c2c1 ZINC000466735086 1121587695 /nfs/dbraw/zinc/58/76/95/1121587695.db2.gz NCSLBGRNMALEIZ-UHFFFAOYSA-N 0 1 276.405 3.969 20 0 CHADMN FC(F)(F)c1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)s1 ZINC000631260095 1128995736 /nfs/dbraw/zinc/99/57/36/1128995736.db2.gz IEZCUAXLXFFECU-RNFRBKRXSA-N 0 1 289.244 3.807 20 0 CHADMN CCN(C(=O)c1cccc2[nH]ncc21)c1cccc(Cl)c1 ZINC000512787755 1121596275 /nfs/dbraw/zinc/59/62/75/1121596275.db2.gz LDTVSXXQUBDYNA-UHFFFAOYSA-N 0 1 299.761 3.883 20 0 CHADMN Cc1cccc2nc(N[C@@H](C)c3ccncc3F)sc21 ZINC000509444598 1121596485 /nfs/dbraw/zinc/59/64/85/1121596485.db2.gz SFNRPLPYIMJJDS-JTQLQIEISA-N 0 1 287.363 3.734 20 0 CHADMN C[C@@H](COCC1CCCCC1)NCc1ccncc1Cl ZINC001176336658 1121599072 /nfs/dbraw/zinc/59/90/72/1121599072.db2.gz TYKWJVVKZOTUHE-ZDUSSCGKSA-N 0 1 296.842 3.810 20 0 CHADMN C[C@@H](NCCc1cncs1)c1ncc(-c2ccccc2)o1 ZINC000411533295 1121601813 /nfs/dbraw/zinc/60/18/13/1121601813.db2.gz BEWADLXMDGXICF-GFCCVEGCSA-N 0 1 299.399 3.691 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CC[C@@H](COC(F)F)C1 ZINC000512797931 1121603115 /nfs/dbraw/zinc/60/31/15/1121603115.db2.gz RRJPAYVQEGLSBZ-VHSXEESVSA-N 0 1 291.288 3.587 20 0 CHADMN CCc1ccc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000135031685 1121604422 /nfs/dbraw/zinc/60/44/22/1121604422.db2.gz RPVCKNYQTRDACF-INIZCTEOSA-N 0 1 289.419 3.572 20 0 CHADMN CO[C@@H](Cn1c(C)nc2c1CCCC2)C1CCCCC1 ZINC000664048533 1121607238 /nfs/dbraw/zinc/60/72/38/1121607238.db2.gz LGMZKKVWSDAEBA-KRWDZBQOSA-N 0 1 276.424 3.666 20 0 CHADMN COc1ccccc1CCCn1c(C)nc2c1CCCC2 ZINC000664048265 1121608247 /nfs/dbraw/zinc/60/82/47/1121608247.db2.gz FIGIMDGCAGCHSQ-UHFFFAOYSA-N 0 1 284.403 3.712 20 0 CHADMN Cc1cc(OC(C)C)ccc1-n1c(N)nc2ccccc21 ZINC001211809642 1121608270 /nfs/dbraw/zinc/60/82/70/1121608270.db2.gz IMYHEKFLQTZDLV-UHFFFAOYSA-N 0 1 281.359 3.703 20 0 CHADMN Cc1ccc(C)c(C[N@@H+](CC(=O)[O-])C2CCCCC2)c1 ZINC000076724436 1121610702 /nfs/dbraw/zinc/61/07/02/1121610702.db2.gz FRYIFJDUZZXDMT-UHFFFAOYSA-N 0 1 275.392 3.523 20 0 CHADMN CCc1ccc(CNCc2cccc3[nH]ccc32)o1 ZINC000631309141 1128997186 /nfs/dbraw/zinc/99/71/86/1128997186.db2.gz RZCSCJSNAWKTBX-UHFFFAOYSA-N 0 1 254.333 3.613 20 0 CHADMN CCc1cccc2cc(CN[C@@H]3CCCn4nccc43)oc21 ZINC000631299401 1128997368 /nfs/dbraw/zinc/99/73/68/1128997368.db2.gz ZOLASTZPZQNIBR-MRXNPFEDSA-N 0 1 295.386 3.816 20 0 CHADMN Cc1cc(C)cc(OCCCN2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000411657074 1121615128 /nfs/dbraw/zinc/61/51/28/1121615128.db2.gz SJQUNTVJADIRRG-GOSISDBHSA-N 0 1 299.418 3.633 20 0 CHADMN OCc1cc(Nc2ccncc2Oc2ccccc2)cs1 ZINC001176366549 1121615503 /nfs/dbraw/zinc/61/55/03/1121615503.db2.gz UMUMFRSOTXFASX-UHFFFAOYSA-N 0 1 298.367 3.593 20 0 CHADMN C[C@@H](NCc1scnc1C1CC1)c1cccc(O)c1 ZINC000487158772 1121617164 /nfs/dbraw/zinc/61/71/64/1121617164.db2.gz QPASIBWLWKOGLX-SNVBAGLBSA-N 0 1 274.389 3.577 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CC[C@H](COC(F)F)C1 ZINC000512840257 1121620006 /nfs/dbraw/zinc/62/00/06/1121620006.db2.gz MNRNHGPVXOLMMJ-ZJUUUORDSA-N 0 1 291.288 3.587 20 0 CHADMN COc1cc(C)cc(CNCc2scnc2C2CC2)c1 ZINC000487562409 1121620832 /nfs/dbraw/zinc/62/08/32/1121620832.db2.gz QONBCGKNEWDQOA-UHFFFAOYSA-N 0 1 288.416 3.627 20 0 CHADMN O=C([O-])c1cc(Nc2ccc3c[nH+]ccc3c2)cs1 ZINC001176436268 1121621646 /nfs/dbraw/zinc/62/16/46/1121621646.db2.gz KCVPEQSIEHDBDU-UHFFFAOYSA-N 0 1 270.313 3.738 20 0 CHADMN Cc1cc2c(cc1Br)CN(CC1CCC1)CC2 ZINC001176441348 1121623346 /nfs/dbraw/zinc/62/33/46/1121623346.db2.gz KDZCRHOVEVMLFK-UHFFFAOYSA-N 0 1 294.236 3.916 20 0 CHADMN Cc1nc([C@H](C)N2CC3(CCCC3)[C@H]2c2ccccc2)n[nH]1 ZINC000411812843 1121626818 /nfs/dbraw/zinc/62/68/18/1121626818.db2.gz AFLGKPGKSOHUOC-XJKSGUPXSA-N 0 1 296.418 3.791 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1nn(C)c2ccccc12 ZINC000645199671 1121631043 /nfs/dbraw/zinc/63/10/43/1121631043.db2.gz VFZIBRWIICPWJE-UHFFFAOYSA-N 0 1 293.414 3.907 20 0 CHADMN Cc1ncn(C)c1Nc1cc(C)c(Cl)cc1F ZINC001176522618 1121642984 /nfs/dbraw/zinc/64/29/84/1121642984.db2.gz DOZBCRCJRSHAEW-UHFFFAOYSA-N 0 1 253.708 3.573 20 0 CHADMN CC(C)c1noc(CN(C)[C@@H]2CCC[C@H]2C(C)(C)C)n1 ZINC000419323741 1121655085 /nfs/dbraw/zinc/65/50/85/1121655085.db2.gz JFTXUSVRKJBHJQ-CHWSQXEVSA-N 0 1 279.428 3.840 20 0 CHADMN CC[C@@H]1CCCCN1CC(=O)Nc1ccc(SC)cc1 ZINC000048392520 1121660914 /nfs/dbraw/zinc/66/09/14/1121660914.db2.gz AEDUJDDCJZBTOL-CQSZACIVSA-N 0 1 292.448 3.612 20 0 CHADMN CN(Cc1ncnn1C(C)(C)C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419332698 1121662424 /nfs/dbraw/zinc/66/24/24/1121662424.db2.gz LCCHGJYRCBNIRQ-UONOGXRCSA-N 0 1 292.471 3.680 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cc(O)cc(Cl)c1 ZINC001176625216 1121664407 /nfs/dbraw/zinc/66/44/07/1121664407.db2.gz HXFMCEZBYQMVNU-UHFFFAOYSA-N 0 1 291.713 3.884 20 0 CHADMN CC(C)Cn1ncnc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419338769 1121668654 /nfs/dbraw/zinc/66/86/54/1121668654.db2.gz SWEIGGWMPVRWGS-LSDHHAIUSA-N 0 1 292.471 3.581 20 0 CHADMN CC(C)Cn1ncnc1CN(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419338769 1121668657 /nfs/dbraw/zinc/66/86/57/1121668657.db2.gz SWEIGGWMPVRWGS-LSDHHAIUSA-N 0 1 292.471 3.581 20 0 CHADMN CC(C)(N[C@H]1CCC[C@@H](C2CCOCC2)C1)C(F)F ZINC000894146913 1121671271 /nfs/dbraw/zinc/67/12/71/1121671271.db2.gz BMLIVCORXAJHDJ-OLZOCXBDSA-N 0 1 275.383 3.605 20 0 CHADMN CN(CCOc1ccccc1)Cc1scnc1C1CC1 ZINC000494352012 1121671852 /nfs/dbraw/zinc/67/18/52/1121671852.db2.gz RGBMZBLCHFTPOS-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN CSCC1CCC(N[C@H]2CCCC2(F)F)CC1 ZINC000398147522 1121711470 /nfs/dbraw/zinc/71/14/70/1121711470.db2.gz YBHIUGMAGNNVCA-MCIGGMRASA-N 0 1 263.397 3.686 20 0 CHADMN CCCc1noc(CN2CCC[C@H]2CCc2ccccc2)n1 ZINC000052105831 1121674150 /nfs/dbraw/zinc/67/41/50/1121674150.db2.gz NRCOQULAAJAIIX-INIZCTEOSA-N 0 1 299.418 3.619 20 0 CHADMN CC(C)c1ccc(-c2noc(CN(C)CC3CC3)n2)cc1 ZINC000052106486 1121674695 /nfs/dbraw/zinc/67/46/95/1121674695.db2.gz VQCJWAWIUHYSPT-UHFFFAOYSA-N 0 1 285.391 3.702 20 0 CHADMN FC(F)(F)c1ccc(CC=Nc2ccno2)cc1 ZINC001176661772 1121676934 /nfs/dbraw/zinc/67/69/34/1121676934.db2.gz ZAPAGNYXSSZMSD-FNORWQNLSA-N 0 1 254.211 3.776 20 0 CHADMN CCn1cc(CN[C@@H]2CCCc3ccc(F)cc32)c(C)n1 ZINC000894161637 1121677394 /nfs/dbraw/zinc/67/73/94/1121677394.db2.gz KCFLEBSPBWCDAP-QGZVFWFLSA-N 0 1 287.382 3.518 20 0 CHADMN Cc1ncn(C)c1NC=Cc1ccc(C(F)(F)F)cc1 ZINC001176661803 1121677602 /nfs/dbraw/zinc/67/76/02/1121677602.db2.gz ZFSHNBBYKCQKSN-BQYQJAHWSA-N 0 1 281.281 3.830 20 0 CHADMN C[C@@H]1[C@H](C)CN(Cc2cncc(C(F)(F)F)c2)[C@H]1C ZINC000419353225 1121679045 /nfs/dbraw/zinc/67/90/45/1121679045.db2.gz LCZWQXKDPDBLOH-MXWKQRLJSA-N 0 1 272.314 3.577 20 0 CHADMN CCC1CCN([C@@H](C)C(=O)Nc2ccc(C)cc2C)CC1 ZINC000052280232 1121682099 /nfs/dbraw/zinc/68/20/99/1121682099.db2.gz IPTOCFFPLJBOSH-HNNXBMFYSA-N 0 1 288.435 3.752 20 0 CHADMN CCCc1nc(COc2cc(C)nc(C)c2)cs1 ZINC000152790710 1129003104 /nfs/dbraw/zinc/00/31/04/1129003104.db2.gz ZWJVOJJUMBSXRU-UHFFFAOYSA-N 0 1 262.378 3.686 20 0 CHADMN CC(C)CCN(C)Cc1ncc(-c2ccccc2)o1 ZINC000052246122 1121697200 /nfs/dbraw/zinc/69/72/00/1121697200.db2.gz BFRSNCIKMBXORA-UHFFFAOYSA-N 0 1 258.365 3.820 20 0 CHADMN CC(C)C(C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C(C)C ZINC000261714958 1129003207 /nfs/dbraw/zinc/00/32/07/1129003207.db2.gz JTPLPYHWKCLDJO-BPUTZDHNSA-N 0 1 281.440 3.632 20 0 CHADMN c1nc(CN2CCC[C@H](C3CCCC3)C2)oc1C1CC1 ZINC001176932127 1121699674 /nfs/dbraw/zinc/69/96/74/1121699674.db2.gz DBEPRUVHQSGWBI-HNNXBMFYSA-N 0 1 274.408 3.954 20 0 CHADMN Cc1cccnc1[C@@H](C)NCc1cccc2cccnc21 ZINC001176896803 1121702293 /nfs/dbraw/zinc/70/22/93/1121702293.db2.gz JXQDLPZENLVKKG-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN CCc1nc(C)c(CNCc2cccc3ccccc32)o1 ZINC000291822752 1121704883 /nfs/dbraw/zinc/70/48/83/1121704883.db2.gz ZJFWSFWKOMKVFI-UHFFFAOYSA-N 0 1 280.371 3.988 20 0 CHADMN CCc1ccc2c(c1)CN([C@@H](C)c1ccccn1)CC2 ZINC001177033615 1121706961 /nfs/dbraw/zinc/70/69/61/1121706961.db2.gz LQTJGBJIDRJTQM-AWEZNQCLSA-N 0 1 266.388 3.763 20 0 CHADMN Cc1cc(CN2CCCC[C@]23CCCOC3)cc(Cl)n1 ZINC001177014946 1121707949 /nfs/dbraw/zinc/70/79/49/1121707949.db2.gz CUXMXLFOGXMTST-MRXNPFEDSA-N 0 1 294.826 3.579 20 0 CHADMN Cc1nn(C)c(Cl)c1CN(C)CCC1CCCCC1 ZINC000727222300 1121708837 /nfs/dbraw/zinc/70/88/37/1121708837.db2.gz KFXQQUWXTRGARI-UHFFFAOYSA-N 0 1 283.847 3.784 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)cc1 ZINC001177171477 1121715477 /nfs/dbraw/zinc/71/54/77/1121715477.db2.gz OXRNVHZHOIOASY-JSGCOSHPSA-N 0 1 297.402 3.667 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)/C(C)=C/C(C)(C)C)c1 ZINC000773624019 1121718025 /nfs/dbraw/zinc/71/80/25/1121718025.db2.gz ZLRDQPYKTOJCKO-MDZDMXLPSA-N 0 1 275.348 3.526 20 0 CHADMN C[C@@H](N[C@@H]1CCCC(C)(C)CC1)c1csnn1 ZINC000398336000 1121720455 /nfs/dbraw/zinc/72/04/55/1121720455.db2.gz PDEYBGFRXDOXRU-GHMZBOCLSA-N 0 1 253.415 3.548 20 0 CHADMN C[C@H](NCc1[nH]nc2ccccc21)c1c(F)cccc1F ZINC000727467042 1121721035 /nfs/dbraw/zinc/72/10/35/1121721035.db2.gz PRXJIRITPJXTJQ-JTQLQIEISA-N 0 1 287.313 3.692 20 0 CHADMN C[C@@H]1c2ccsc2CCN1CCOc1ccc(F)cc1 ZINC000057645429 1121737852 /nfs/dbraw/zinc/73/78/52/1121737852.db2.gz OFIBAIBMPWIXDF-GFCCVEGCSA-N 0 1 291.391 3.885 20 0 CHADMN Cc1cccc(-c2cccc(CNCc3c[nH]cn3)c2)c1 ZINC001177607827 1121741195 /nfs/dbraw/zinc/74/11/95/1121741195.db2.gz CCEJXWLYXGDSNF-UHFFFAOYSA-N 0 1 277.371 3.675 20 0 CHADMN CCc1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)cc1C ZINC000535821077 1121744681 /nfs/dbraw/zinc/74/46/81/1121744681.db2.gz JZLFKXDOSDHLHB-UHFFFAOYSA-N 0 1 297.333 3.825 20 0 CHADMN CN1Cc2ccccc2[C@@H](NCc2ccccc2Cl)C1 ZINC000533818476 1121745181 /nfs/dbraw/zinc/74/51/81/1121745181.db2.gz FZWNDYFWSJEONG-KRWDZBQOSA-N 0 1 286.806 3.616 20 0 CHADMN Fc1ccc([C@@H](NCc2cnsc2)C2CCC2)cc1 ZINC001177702944 1121745447 /nfs/dbraw/zinc/74/54/47/1121745447.db2.gz UDVMUUNFWPTEKY-HNNXBMFYSA-N 0 1 276.380 3.913 20 0 CHADMN CC[C@H]1CCCN1Cn1c2ccccc2n(C)c1=S ZINC000727824496 1121750094 /nfs/dbraw/zinc/75/00/94/1121750094.db2.gz QNDWHOWHOACWPM-LBPRGKRZSA-N 0 1 275.421 3.541 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)N(Cc2cscn2)C1 ZINC000285612758 1121764057 /nfs/dbraw/zinc/76/40/57/1121764057.db2.gz JXLYTUQTFFKXMH-SWLSCSKDSA-N 0 1 258.390 3.726 20 0 CHADMN Cc1ccc([C@H]2CCN(Cc3nc(CC(C)C)no3)C2)cc1 ZINC000544190629 1121764864 /nfs/dbraw/zinc/76/48/64/1121764864.db2.gz KKLXYVOATRZKQZ-INIZCTEOSA-N 0 1 299.418 3.566 20 0 CHADMN FC1(F)CC2(CN(CCSC3CCCCC3)C2)C1 ZINC000619719981 1129007912 /nfs/dbraw/zinc/00/79/12/1129007912.db2.gz QWQOLNWKQIALNB-UHFFFAOYSA-N 0 1 275.408 3.783 20 0 CHADMN COc1ccncc1CN[C@H](c1ccccc1C)C1CC1 ZINC000287547588 1121769695 /nfs/dbraw/zinc/76/96/95/1121769695.db2.gz AKZFEMNBJHSAKF-SFHVURJKSA-N 0 1 282.387 3.640 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1c[nH]c2ncccc12 ZINC000168200054 1121770331 /nfs/dbraw/zinc/77/03/31/1121770331.db2.gz GMLQBYPXCRSVPT-VHSXEESVSA-N 0 1 284.363 3.580 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@@H](C)c1c[nH]c2ncccc12 ZINC000168200116 1121770594 /nfs/dbraw/zinc/77/05/94/1121770594.db2.gz GMLQBYPXCRSVPT-UWVGGRQHSA-N 0 1 284.363 3.580 20 0 CHADMN CC[C@H](NCc1cncn1C)c1ccc(Cl)c(Cl)c1 ZINC000289823057 1121771749 /nfs/dbraw/zinc/77/17/49/1121771749.db2.gz PBOPLQDKIIEKEU-AWEZNQCLSA-N 0 1 298.217 3.968 20 0 CHADMN CCC[C@@H](C)N(C)CC(=O)Nc1cccc2ccccc21 ZINC000030269353 1121772809 /nfs/dbraw/zinc/77/28/09/1121772809.db2.gz PVFZFPPTLZRHAO-CQSZACIVSA-N 0 1 284.403 3.899 20 0 CHADMN CC(C)c1cc(CN[C@H]2CCCc3ccccc32)on1 ZINC000169274361 1121774025 /nfs/dbraw/zinc/77/40/25/1121774025.db2.gz SEFNKLLVRJOSEY-INIZCTEOSA-N 0 1 270.376 3.965 20 0 CHADMN CC[C@@H](NCc1ccnn1C(C)C)c1ccc(F)cc1 ZINC001178285208 1121776099 /nfs/dbraw/zinc/77/60/99/1121776099.db2.gz NEKHSGKOJMWJSU-MRXNPFEDSA-N 0 1 275.371 3.844 20 0 CHADMN CCc1ccc2c(c1)[C@@H](NCc1ccncc1C)CCO2 ZINC001178445055 1121784327 /nfs/dbraw/zinc/78/43/27/1121784327.db2.gz PEROKUGIRZFQQY-KRWDZBQOSA-N 0 1 282.387 3.566 20 0 CHADMN c1sc(Cc2ccccc2)nc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000152857338 1129009103 /nfs/dbraw/zinc/00/91/03/1129009103.db2.gz ORXXFRHIBOLALO-IYBDPMFKSA-N 0 1 298.455 3.966 20 0 CHADMN Cc1cc(CN[C@@H](C)c2csc3ccccc23)[nH]n1 ZINC000730020177 1121789488 /nfs/dbraw/zinc/78/94/88/1121789488.db2.gz ZQIPPEZYMOCQTH-NSHDSACASA-N 0 1 271.389 3.784 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@@H]2CCCc3ncccc32)cn1 ZINC000631583683 1129009545 /nfs/dbraw/zinc/00/95/45/1129009545.db2.gz UMUGDHKTUZNLPL-CXAGYDPISA-N 0 1 284.407 3.587 20 0 CHADMN COc1ccccc1-c1ncc(C[N@H+]2CCCC[C@H]2C)cn1 ZINC000430014324 1121796032 /nfs/dbraw/zinc/79/60/32/1121796032.db2.gz UZZVVJXKQUOCFI-CQSZACIVSA-N 0 1 297.402 3.527 20 0 CHADMN COc1ccc2c(c1)CC[C@@H]2NCc1cc(F)ccc1F ZINC000631578872 1129009763 /nfs/dbraw/zinc/00/97/63/1129009763.db2.gz BAXLVMFBJAONEW-KRWDZBQOSA-N 0 1 289.325 3.751 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1C[C@H]2CCC[C@@H]2C1 ZINC000152884941 1129009958 /nfs/dbraw/zinc/00/99/58/1129009958.db2.gz HCNZLUNUIBYONW-JHJVBQTASA-N 0 1 262.397 3.765 20 0 CHADMN CCN(C(=O)[C@H]1CCN1C(C)(C)C)c1ccc(Cl)cc1 ZINC001178644432 1121802034 /nfs/dbraw/zinc/80/20/34/1121802034.db2.gz GQBBUVDGYVTAGS-CQSZACIVSA-N 0 1 294.826 3.566 20 0 CHADMN Cc1ccc(CNCc2ccc3ncccc3c2)c(F)c1 ZINC001178639759 1121802635 /nfs/dbraw/zinc/80/26/35/1121802635.db2.gz FTOMTSMAKAOBPO-UHFFFAOYSA-N 0 1 280.346 3.972 20 0 CHADMN CSc1ccc(CNCc2cc3ccccc3[nH]2)o1 ZINC001178713167 1121809419 /nfs/dbraw/zinc/80/94/19/1121809419.db2.gz KLAYPFWLNVJUET-UHFFFAOYSA-N 0 1 272.373 3.773 20 0 CHADMN CNc1ccc(C)cc1CNc1ccc2c(n1)CCC2 ZINC001178741988 1121810650 /nfs/dbraw/zinc/81/06/50/1121810650.db2.gz LWCKZRVYJWRHSG-UHFFFAOYSA-N 0 1 267.376 3.533 20 0 CHADMN Fc1ccc2c(c1)nccc2N[C@@H]1CCCn2nccc21 ZINC000631598037 1129011461 /nfs/dbraw/zinc/01/14/61/1129011461.db2.gz ZPDJETLUJUALSW-CQSZACIVSA-N 0 1 282.322 3.517 20 0 CHADMN CCCCn1cc(CN[C@H]2CCCc3ncccc32)c(C)n1 ZINC000631603546 1129012312 /nfs/dbraw/zinc/01/23/12/1129012312.db2.gz SJVITYVLYWIBSV-SFHVURJKSA-N 0 1 298.434 3.554 20 0 CHADMN CCCc1ncc(CN[C@@H](C)c2ccc(OC)cc2C)o1 ZINC000414155494 1121833013 /nfs/dbraw/zinc/83/30/13/1121833013.db2.gz VCDHYQPZCXYBNQ-ZDUSSCGKSA-N 0 1 288.391 3.795 20 0 CHADMN CC(C)(C)O[C@H]1C[C@H](NCc2nc(C(C)(C)C)cs2)C1 ZINC001179044678 1121841273 /nfs/dbraw/zinc/84/12/73/1121841273.db2.gz NAANATQGHFDOST-HAQNSBGRSA-N 0 1 296.480 3.876 20 0 CHADMN C[C@H](O)[C@@H](NC/C=C/c1ccccc1)c1ccccc1F ZINC001179082218 1121846489 /nfs/dbraw/zinc/84/64/89/1121846489.db2.gz WRGNWCHBCRVBOG-MUAIMPQQSA-N 0 1 285.362 3.551 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@H](C)Cc3ccccc3)cc2[nH]1 ZINC000345127912 1121848672 /nfs/dbraw/zinc/84/86/72/1121848672.db2.gz UTHNHJVVALSLAQ-GFCCVEGCSA-N 0 1 293.370 3.689 20 0 CHADMN CN(C)Cc1cc(NC2CCC(C)(O)CC2)ccc1Cl ZINC000894238020 1121850567 /nfs/dbraw/zinc/85/05/67/1121850567.db2.gz FQSNJAVDDUGBHS-UHFFFAOYSA-N 0 1 296.842 3.507 20 0 CHADMN c1ccc(CCN(Cc2noc3c2CCCC3)C2CC2)cc1 ZINC000731211853 1121853825 /nfs/dbraw/zinc/85/38/25/1121853825.db2.gz FFZHOGCNAUTGGJ-UHFFFAOYSA-N 0 1 296.414 3.761 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNc2cnccc2-n2cccn2)o1 ZINC000345184511 1121855750 /nfs/dbraw/zinc/85/57/50/1121855750.db2.gz JPEUVTXEJZHOFL-GXTWGEPZSA-N 0 1 294.358 3.596 20 0 CHADMN CCN(CC)[C@@H](C(=O)N(C)[C@H](C)C(C)C)c1ccccc1 ZINC000345250566 1121859958 /nfs/dbraw/zinc/85/99/58/1121859958.db2.gz DGHBRMVLKMVJGN-NVXWUHKLSA-N 0 1 290.451 3.572 20 0 CHADMN CC[C@H](NCC(=O)Nc1ccc(F)cc1)c1ccsc1 ZINC000297549318 1121860765 /nfs/dbraw/zinc/86/07/65/1121860765.db2.gz FMXJJJHXPROPCM-AWEZNQCLSA-N 0 1 292.379 3.567 20 0 CHADMN c1cnc2c(c1)[C@H](NCc1ccc3c(n1)CCCC3)CCC2 ZINC000631623612 1129015055 /nfs/dbraw/zinc/01/50/55/1129015055.db2.gz YNIXANWGBBQQBD-LJQANCHMSA-N 0 1 293.414 3.523 20 0 CHADMN Clc1ccc(O[C@H]2CCCN(Cc3ccoc3)C2)cc1 ZINC001204244270 1121875499 /nfs/dbraw/zinc/87/54/99/1121875499.db2.gz WCDIZDNTQQIVKG-INIZCTEOSA-N 0 1 291.778 3.976 20 0 CHADMN CC1(C)CCN(Cn2ccc(-c3ccsc3)n2)CC1 ZINC000731659889 1121876303 /nfs/dbraw/zinc/87/63/03/1121876303.db2.gz FGWKGAVVWAUQCS-UHFFFAOYSA-N 0 1 275.421 3.691 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1cccc2c1[C@H](C)CC2(C)C ZINC000150221850 1121881687 /nfs/dbraw/zinc/88/16/87/1121881687.db2.gz ZHKWYMOWCJCUHS-SNVBAGLBSA-N 0 1 283.375 3.755 20 0 CHADMN Cc1sccc1CNc1ccc2c(n1)CCCC2 ZINC001179515705 1121883037 /nfs/dbraw/zinc/88/30/37/1121883037.db2.gz GIUBKPNRUVJQSU-UHFFFAOYSA-N 0 1 258.390 3.942 20 0 CHADMN Cc1ccccc1Oc1cccc(NC(=O)[C@H](C)N(C)C)c1 ZINC001179532548 1121885464 /nfs/dbraw/zinc/88/54/64/1121885464.db2.gz VGXYWRAKBPOWFU-AWEZNQCLSA-N 0 1 298.386 3.676 20 0 CHADMN Clc1cccc(CNc2cnccc2-n2cccn2)c1 ZINC000345697656 1121905629 /nfs/dbraw/zinc/90/56/29/1121905629.db2.gz YNGVKNJSLUACEW-UHFFFAOYSA-N 0 1 284.750 3.533 20 0 CHADMN Cl/C=C/CNCc1ccccc1OC1CCCC1 ZINC001179748145 1121907934 /nfs/dbraw/zinc/90/79/34/1121907934.db2.gz ZCZIQEVIMROCQW-BJMVGYQFSA-N 0 1 265.784 3.850 20 0 CHADMN Cc1cc(CN[C@]2(CO)CC[C@H](C)c3ccccc32)c(C)o1 ZINC001179790034 1121911371 /nfs/dbraw/zinc/91/13/71/1121911371.db2.gz ZOMBBVRCBQACDX-DJJJIMSYSA-N 0 1 299.414 3.771 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H]2CCO[C@H]2c2ccccc2)cs1 ZINC000631653137 1129018008 /nfs/dbraw/zinc/01/80/08/1129018008.db2.gz DJTJIQYMJWGDJM-XFJVYGCCSA-N 0 1 288.416 3.632 20 0 CHADMN Fc1ccc(CN2CCC[C@H]2Cc2cccc(F)c2)nc1 ZINC000345779006 1121914432 /nfs/dbraw/zinc/91/44/32/1121914432.db2.gz XASAFHLIWRMHPD-KRWDZBQOSA-N 0 1 288.341 3.567 20 0 CHADMN CS[C@@H]1CC[C@H](NCc2csc(C(F)(F)F)n2)C1 ZINC001119949184 1121917433 /nfs/dbraw/zinc/91/74/33/1121917433.db2.gz UJTYAJBSDHLXCX-IONNQARKSA-N 0 1 296.383 3.536 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N(Cc2cnc(Cl)s2)C1 ZINC000079325580 1129022004 /nfs/dbraw/zinc/02/20/04/1129022004.db2.gz YSLYPVOTYIHTQM-NXEZZACHSA-N 0 1 258.818 3.807 20 0 CHADMN Cc1cccc2[nH]c(CNCc3cccc4cc[nH]c43)nc21 ZINC000345820241 1121919411 /nfs/dbraw/zinc/91/94/11/1121919411.db2.gz CTJSTMBBIIEIQT-UHFFFAOYSA-N 0 1 290.370 3.642 20 0 CHADMN CC(C)CCC(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732547728 1121926432 /nfs/dbraw/zinc/92/64/32/1121926432.db2.gz QQHZIJKCWBBNHJ-SNVBAGLBSA-N 0 1 293.798 3.830 20 0 CHADMN Clc1ncc(CN2CC[C@@H](Cc3ccccc3)C2)s1 ZINC000079325534 1129022098 /nfs/dbraw/zinc/02/20/98/1129022098.db2.gz XCBAASNGYFGHSX-ZDUSSCGKSA-N 0 1 292.835 3.861 20 0 CHADMN COc1ccc2c(c1)[C@H](NCC(C)(C)F)CCS2 ZINC000631663764 1129019052 /nfs/dbraw/zinc/01/90/52/1129019052.db2.gz OXNWWFRQDCOILO-GFCCVEGCSA-N 0 1 269.385 3.570 20 0 CHADMN CC[C@@H](C)CN(CC)Cc1sc(N(C)C)nc1Cl ZINC001179979570 1121931535 /nfs/dbraw/zinc/93/15/35/1121931535.db2.gz JDUJUFJJTZPZKZ-SNVBAGLBSA-N 0 1 289.876 3.731 20 0 CHADMN Cc1cc(CN2CC[C@@H](C(C)C)C2)ncc1Br ZINC001179973466 1121933338 /nfs/dbraw/zinc/93/33/38/1121933338.db2.gz ANRCTJFRQJFDFL-GFCCVEGCSA-N 0 1 297.240 3.630 20 0 CHADMN C[C@@H]1CN(Cc2nc3ccccc3n2C(F)F)[C@@H](C)[C@H]1C ZINC000419397260 1121933279 /nfs/dbraw/zinc/93/32/79/1121933279.db2.gz UNGOQKKRFBFGPK-WOPDTQHZSA-N 0 1 293.361 3.908 20 0 CHADMN CC(C)(F)CN[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000631659960 1129019309 /nfs/dbraw/zinc/01/93/09/1129019309.db2.gz CWZDOGJCXZJUFP-HNNXBMFYSA-N 0 1 287.382 3.587 20 0 CHADMN Fc1ccc([C@H](N[C@H]2CCCC23CC3)c2cnccn2)cc1 ZINC000631665985 1129019781 /nfs/dbraw/zinc/01/97/81/1129019781.db2.gz VOIJHVXEJLNHPW-IRXDYDNUSA-N 0 1 297.377 3.627 20 0 CHADMN CCC[C@H](Oc1nc(Cl)nc2[nH]ncc21)[C@@H](C)CC ZINC001231046778 1121950622 /nfs/dbraw/zinc/95/06/22/1121950622.db2.gz DLNHZKJIRBLOGO-WPRPVWTQSA-N 0 1 282.775 3.600 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1nnn(-c2ccccc2)c1C1CC1 ZINC001180108525 1121951597 /nfs/dbraw/zinc/95/15/97/1121951597.db2.gz SDDQTGYYZQTZAE-OKILXGFUSA-N 0 1 296.418 3.518 20 0 CHADMN CCCCOCCN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000733029251 1121952014 /nfs/dbraw/zinc/95/20/14/1121952014.db2.gz AKYUDJAWIMMONN-INIZCTEOSA-N 0 1 283.362 3.918 20 0 CHADMN CC[C@H](CC(=O)N1CCC(c2cnc[nH]2)CC1)C(C)(C)C ZINC000631674753 1129020608 /nfs/dbraw/zinc/02/06/08/1129020608.db2.gz NYNJQRMSMJDZID-CQSZACIVSA-N 0 1 291.439 3.578 20 0 CHADMN CC[C@@H](CC(=O)N1CCC(c2cnc[nH]2)CC1)C(C)(C)C ZINC000631674752 1129020667 /nfs/dbraw/zinc/02/06/67/1129020667.db2.gz NYNJQRMSMJDZID-AWEZNQCLSA-N 0 1 291.439 3.578 20 0 CHADMN COc1ccc(CN2CC=C(C(F)(F)F)CC2)c(C)c1 ZINC001204261321 1121954734 /nfs/dbraw/zinc/95/47/34/1121954734.db2.gz BIAVYBXIXXEIMU-UHFFFAOYSA-N 0 1 285.309 3.698 20 0 CHADMN CC(C)[C@@H](C)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000733109403 1121961166 /nfs/dbraw/zinc/96/11/66/1121961166.db2.gz WCQBLHUZQRWUKC-NXEZZACHSA-N 0 1 293.798 3.686 20 0 CHADMN C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccncc1 ZINC000619950469 1129022172 /nfs/dbraw/zinc/02/21/72/1129022172.db2.gz JMCFCLUXGRVBDY-LLVKDONJSA-N 0 1 282.372 3.720 20 0 CHADMN Cc1nocc1CNc1ccc2c(c1)nc1n2CCCCC1 ZINC000419737515 1121966935 /nfs/dbraw/zinc/96/69/35/1121966935.db2.gz HVSIYYRXHPUISK-UHFFFAOYSA-N 0 1 296.374 3.671 20 0 CHADMN Cc1nc2cccc(C(=O)NC[C@@H]3CCC=CCCC3)c2[nH]1 ZINC001180306371 1121972609 /nfs/dbraw/zinc/97/26/09/1121972609.db2.gz DYSPOUHGBPXGKC-CQSZACIVSA-N 0 1 297.402 3.738 20 0 CHADMN CO[C@H](CN[C@H](C)c1ccccc1Cl)C(F)(F)F ZINC000733323556 1121975971 /nfs/dbraw/zinc/97/59/71/1121975971.db2.gz KHNFSZJVYQHLCL-LDYMZIIASA-N 0 1 281.705 3.568 20 0 CHADMN C[C@@]1(F)CCN(CCSc2ccc(Cl)cc2)C1 ZINC000501417770 1121975994 /nfs/dbraw/zinc/97/59/94/1121975994.db2.gz KPFGRSYRUAFAMK-CYBMUJFWSA-N 0 1 273.804 3.866 20 0 CHADMN Cc1ccc(C[NH2+]Cc2ccc([O-])c(Cl)c2)cc1F ZINC000733322597 1121976614 /nfs/dbraw/zinc/97/66/14/1121976614.db2.gz OMLXKYSAODZEMT-UHFFFAOYSA-N 0 1 279.742 3.783 20 0 CHADMN C[C@@]1(F)CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000501427236 1121978579 /nfs/dbraw/zinc/97/85/79/1121978579.db2.gz OZVSQKNVYOHUQR-LSDHHAIUSA-N 0 1 251.320 3.637 20 0 CHADMN C[C@@]1(F)CCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC000501427236 1121978589 /nfs/dbraw/zinc/97/85/89/1121978589.db2.gz OZVSQKNVYOHUQR-LSDHHAIUSA-N 0 1 251.320 3.637 20 0 CHADMN Cc1cc(CN[C@@H]2c3ccccc3CCC[C@H]2C)nn1C ZINC000414438176 1121979687 /nfs/dbraw/zinc/97/96/87/1121979687.db2.gz UWMUEHAUTRDBGV-ACJLOTCBSA-N 0 1 283.419 3.532 20 0 CHADMN Cc1ccnc(CN[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000328143789 1121980272 /nfs/dbraw/zinc/98/02/72/1121980272.db2.gz CMANVKIEYGUFPM-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN CC(C)c1ccc(CC[N@H+]2CCO[C@@H](C(C)C)C2)cc1 ZINC001180326071 1121980638 /nfs/dbraw/zinc/98/06/38/1121980638.db2.gz GAWPWTBGSCTNEZ-GOSISDBHSA-N 0 1 275.436 3.709 20 0 CHADMN CC(C)C[C@@H]1CCN(Cc2cnc(Cl)s2)C1 ZINC000079327517 1129022630 /nfs/dbraw/zinc/02/26/30/1129022630.db2.gz GYDFDSRDYXNHFA-JTQLQIEISA-N 0 1 258.818 3.665 20 0 CHADMN Cc1cc(CN[C@H]2c3ccccc3CCC[C@@H]2C)nn1C ZINC000414438178 1121980534 /nfs/dbraw/zinc/98/05/34/1121980534.db2.gz UWMUEHAUTRDBGV-SCLBCKFNSA-N 0 1 283.419 3.532 20 0 CHADMN CCCN1Cc2cc(Br)ccc2C[C@H]1C ZINC000501447765 1121980572 /nfs/dbraw/zinc/98/05/72/1121980572.db2.gz PPVNSDHAPPQMKJ-SNVBAGLBSA-N 0 1 268.198 3.606 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](C)c2ccc(C)nc2C)s1 ZINC000631706692 1129022670 /nfs/dbraw/zinc/02/26/70/1129022670.db2.gz AHOCNMACWNBYQB-NWDGAFQWSA-N 0 1 275.421 3.875 20 0 CHADMN CC(C)CCCN1CCN(C(=O)CCC2CCCC2)CC1 ZINC001180379309 1121983350 /nfs/dbraw/zinc/98/33/50/1121983350.db2.gz XQHLSUNHAKICJM-UHFFFAOYSA-N 0 1 294.483 3.537 20 0 CHADMN CCc1ncc(CN[C@H](C)c2cc3cccc(F)c3o2)cn1 ZINC000414440359 1121984393 /nfs/dbraw/zinc/98/43/93/1121984393.db2.gz UUZIHIXATUNXKI-LLVKDONJSA-N 0 1 299.349 3.775 20 0 CHADMN CC[C@@H]1CCCCN1Cc1sc(N(C)C)nc1Cl ZINC001180372320 1121984857 /nfs/dbraw/zinc/98/48/57/1121984857.db2.gz POQPPJRXXZTICA-SNVBAGLBSA-N 0 1 287.860 3.627 20 0 CHADMN COc1cc(C)ccc1CNCc1ccc(F)cc1C ZINC000151020673 1121988157 /nfs/dbraw/zinc/98/81/57/1121988157.db2.gz YHGDRZKVBPTHJR-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN CC[C@H](OC(=O)Cc1[nH]nc2ccccc21)c1ccccc1 ZINC000733464646 1121993265 /nfs/dbraw/zinc/99/32/65/1121993265.db2.gz PTRJHQOLZLOKFR-KRWDZBQOSA-N 0 1 294.354 3.800 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1ccnn1CC1CCC1 ZINC001180497216 1121996304 /nfs/dbraw/zinc/99/63/04/1121996304.db2.gz FHMRTRAIBWHEOL-HNNXBMFYSA-N 0 1 283.419 3.876 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)[C@H](C)N2CCCC2)cc1 ZINC001180576342 1121996408 /nfs/dbraw/zinc/99/64/08/1121996408.db2.gz MVHARFALRGARCC-KBPBESRZSA-N 0 1 274.408 3.623 20 0 CHADMN C[C@@H]1CCN(Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC000501788223 1122007450 /nfs/dbraw/zinc/00/74/50/1122007450.db2.gz DLZGGHILJWMZST-VXGBXAGGSA-N 0 1 266.454 3.919 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C[C@H]1C ZINC000501787641 1122007559 /nfs/dbraw/zinc/00/75/59/1122007559.db2.gz YXJYUTJNPUCFML-CHWSQXEVSA-N 0 1 288.366 3.959 20 0 CHADMN C[C@@H]1CCN(Cc2ncc(-c3cccc(F)c3)o2)C[C@H]1C ZINC000501787641 1122007563 /nfs/dbraw/zinc/00/75/63/1122007563.db2.gz YXJYUTJNPUCFML-CHWSQXEVSA-N 0 1 288.366 3.959 20 0 CHADMN C[C@H]1CN(Cc2coc(-c3ccc(F)cc3)n2)CC[C@@H]1C ZINC000501774856 1122008086 /nfs/dbraw/zinc/00/80/86/1122008086.db2.gz LAVFDQOKOWVERF-STQMWFEESA-N 0 1 288.366 3.959 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](C)C2)c(C)c1 ZINC000501784461 1122008436 /nfs/dbraw/zinc/00/84/36/1122008436.db2.gz GNGGJOUPABXFHH-BMFZPTHFSA-N 0 1 288.435 3.608 20 0 CHADMN Cc1ccccc1-c1cccc(NC(=O)[C@H](C)N(C)C)c1 ZINC001180863260 1122018990 /nfs/dbraw/zinc/01/89/90/1122018990.db2.gz YIWAVASJTYFNKJ-AWEZNQCLSA-N 0 1 282.387 3.551 20 0 CHADMN Oc1c(F)cc(F)c(Cc2cccc(F)c2)c1F ZINC001249990184 1122025264 /nfs/dbraw/zinc/02/52/64/1122025264.db2.gz LJFOAESFDULIAO-UHFFFAOYSA-N 0 1 256.198 3.539 20 0 CHADMN COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccoc1C)C2 ZINC000414462972 1122027012 /nfs/dbraw/zinc/02/70/12/1122027012.db2.gz ZNFNOBZVICEAQA-UHFFFAOYSA-N 0 1 283.371 3.644 20 0 CHADMN COc1ccc2c(c1)C1(CC1)CN(Cc1ccoc1C)C2 ZINC000414462972 1122027020 /nfs/dbraw/zinc/02/70/20/1122027020.db2.gz ZNFNOBZVICEAQA-UHFFFAOYSA-N 0 1 283.371 3.644 20 0 CHADMN COCc1ccc(CN2C[C@H](C(F)(F)F)CC[C@@H]2C)o1 ZINC000679584662 1122036561 /nfs/dbraw/zinc/03/65/61/1122036561.db2.gz XRWRYRKGINGWHY-WDEREUQCSA-N 0 1 291.313 3.589 20 0 CHADMN CC(C)(C)N(Cc1ccno1)Cc1ccc(F)cc1 ZINC000268555482 1122040000 /nfs/dbraw/zinc/04/00/00/1122040000.db2.gz NIIAYUZYDMFGAV-UHFFFAOYSA-N 0 1 262.328 3.614 20 0 CHADMN Cc1cccc(CN2CCC[C@@H](CC(F)(F)F)C2)n1 ZINC000420949684 1122048904 /nfs/dbraw/zinc/04/89/04/1122048904.db2.gz OYYIMMVRSKXLKY-LBPRGKRZSA-N 0 1 272.314 3.554 20 0 CHADMN CO[C@@H](C)c1nc(CN2CC[C@@H](C3CCCC3)C2)cs1 ZINC000420958237 1122051068 /nfs/dbraw/zinc/05/10/68/1122051068.db2.gz BPSHNUNJUOQTNE-GXTWGEPZSA-N 0 1 294.464 3.863 20 0 CHADMN CC[N@@H+](CCOc1ccccc1C)Cc1ncccc1C ZINC000420970781 1122053364 /nfs/dbraw/zinc/05/33/64/1122053364.db2.gz GPJSUPGOYUQTRW-UHFFFAOYSA-N 0 1 284.403 3.599 20 0 CHADMN Cc1ccncc1CN[C@H](CC(F)F)c1ccccc1 ZINC000420992634 1122057761 /nfs/dbraw/zinc/05/77/61/1122057761.db2.gz KZMJVUKIKFADKO-OAHLLOKOSA-N 0 1 276.330 3.876 20 0 CHADMN O=C(Nc1c(Cl)ccc(O)c1Cl)[C@@H]1C[C@@]1(F)Cl ZINC001181664397 1122068723 /nfs/dbraw/zinc/06/87/23/1122068723.db2.gz HTTBATHPZWASGD-MFXDVPHUSA-N 0 1 298.528 3.562 20 0 CHADMN COc1ccccc1CNCc1cnccc1C(C)(C)C ZINC000414493994 1122068969 /nfs/dbraw/zinc/06/89/69/1122068969.db2.gz DDFFEOOTRBPGRO-UHFFFAOYSA-N 0 1 284.403 3.678 20 0 CHADMN FC[C@H](N[C@H]1CCC12CCC2)c1ccc(F)cc1 ZINC000631798608 1129029324 /nfs/dbraw/zinc/02/93/24/1129029324.db2.gz WERUMAMWMCTPRG-KBPBESRZSA-N 0 1 251.320 3.759 20 0 CHADMN CCC(CC)(CC)CNCc1nccc(C(F)(F)F)n1 ZINC000414500582 1122074933 /nfs/dbraw/zinc/07/49/33/1122074933.db2.gz CBBFOMGGRSUDIY-UHFFFAOYSA-N 0 1 289.345 3.801 20 0 CHADMN C[C@H]1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C[C@H](C)C1 ZINC000502388841 1122078272 /nfs/dbraw/zinc/07/82/72/1122078272.db2.gz MAMPNYANCXOFEI-UONOGXRCSA-N 0 1 297.402 3.585 20 0 CHADMN CCC1(CC)C[C@H]1C(=O)Nc1cc2n[nH]c(C)c2c(F)c1 ZINC001181886137 1122090941 /nfs/dbraw/zinc/09/09/41/1122090941.db2.gz JIVWGDASHXTCGB-NSHDSACASA-N 0 1 289.354 3.775 20 0 CHADMN Clc1ccc(CNCc2cccc(C3CC3)c2)nc1 ZINC000421339486 1122101355 /nfs/dbraw/zinc/10/13/55/1122101355.db2.gz GMNNGHPBIISZKU-UHFFFAOYSA-N 0 1 272.779 3.902 20 0 CHADMN CC(C)N(Cc1cccc(CC2CCC2)c1)C1COC1 ZINC001181988388 1122102309 /nfs/dbraw/zinc/10/23/09/1122102309.db2.gz ZWTSQKVPXXPXFH-UHFFFAOYSA-N 0 1 273.420 3.638 20 0 CHADMN CC1(C)CN(CCC2CCCCC2)C[C@@H](C(F)(F)F)O1 ZINC001181972565 1122103322 /nfs/dbraw/zinc/10/33/22/1122103322.db2.gz RVOBVFGBLXFVIW-ZDUSSCGKSA-N 0 1 293.373 3.999 20 0 CHADMN FC(F)(F)c1cnc(CNC2CC3(C2)CCCCC3)nc1 ZINC000421386910 1122109875 /nfs/dbraw/zinc/10/98/75/1122109875.db2.gz SGZBOZVRGYXQBA-UHFFFAOYSA-N 0 1 299.340 3.698 20 0 CHADMN CCc1ncc(CN2CCC[C@H](CC(F)(F)F)C2)s1 ZINC000421397891 1122110814 /nfs/dbraw/zinc/11/08/14/1122110814.db2.gz YGSRKUJZRRLTKZ-SNVBAGLBSA-N 0 1 292.370 3.870 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](Cc2cccnc2Cl)CC1 ZINC000071029223 1129032497 /nfs/dbraw/zinc/03/24/97/1129032497.db2.gz VWABANMOVIMBKY-CYBMUJFWSA-N 0 1 266.816 3.993 20 0 CHADMN C[C@@H](NCc1cccc(OC2CCCC2)c1)c1ccnn1C ZINC000774237154 1122144104 /nfs/dbraw/zinc/14/41/04/1122144104.db2.gz QYYFHFHALRSZPM-CQSZACIVSA-N 0 1 299.418 3.592 20 0 CHADMN C[C@@H](N[C@H]1CC2(CCC2)Oc2ccccc21)c1ccnn1C ZINC000774228776 1122147118 /nfs/dbraw/zinc/14/71/18/1122147118.db2.gz WKPHIBLGNIDGNG-HIFRSBDPSA-N 0 1 297.402 3.517 20 0 CHADMN CSCC[C@@H](C)N1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001258226903 1129034898 /nfs/dbraw/zinc/03/48/98/1129034898.db2.gz SIRYPSPCKYWOGG-CJNGLKHVSA-N 0 1 297.439 3.515 20 0 CHADMN Cc1cc([C@@H](C)NCc2n[nH]c(-c3ccccc3)n2)c(C)o1 ZINC000774310403 1122154931 /nfs/dbraw/zinc/15/49/31/1122154931.db2.gz BRROZQSWMKAOLY-GFCCVEGCSA-N 0 1 296.374 3.532 20 0 CHADMN Cc1cc([C@@H](C)NCc2nc(-c3ccccc3)n[nH]2)c(C)o1 ZINC000774310403 1122154933 /nfs/dbraw/zinc/15/49/33/1122154933.db2.gz BRROZQSWMKAOLY-GFCCVEGCSA-N 0 1 296.374 3.532 20 0 CHADMN Cc1ccccc1[C@]1(F)CC[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000502902391 1122156829 /nfs/dbraw/zinc/15/68/29/1122156829.db2.gz ICZCRVUKBMNQDY-YJBOKZPZSA-N 0 1 291.410 3.823 20 0 CHADMN Cc1ccccc1[C@]1(F)CCN(C[C@@H]2CCC(C)(C)O2)C1 ZINC000502902391 1122156832 /nfs/dbraw/zinc/15/68/32/1122156832.db2.gz ICZCRVUKBMNQDY-YJBOKZPZSA-N 0 1 291.410 3.823 20 0 CHADMN C[C@@H](NCc1cccnc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774368321 1122158024 /nfs/dbraw/zinc/15/80/24/1122158024.db2.gz UJCAVTNJHWTKTA-SECBINFHSA-N 0 1 296.201 3.821 20 0 CHADMN Cc1nc([C@H](C)NC[C@H](C)Oc2ccccc2)cs1 ZINC000271450396 1122167206 /nfs/dbraw/zinc/16/72/06/1122167206.db2.gz IBGUJEQUHUIRFV-RYUDHWBXSA-N 0 1 276.405 3.570 20 0 CHADMN CC(C)(C)c1nc(CN[C@H]2CC(C)(C)OC2(C)C)cs1 ZINC000153418242 1129035820 /nfs/dbraw/zinc/03/58/20/1129035820.db2.gz KQQHLBSCLKGQRZ-LBPRGKRZSA-N 0 1 296.480 3.876 20 0 CHADMN C[C@H](CN1Cc2cc(F)c(F)cc2C1)C(C)(C)C ZINC001182594709 1122177880 /nfs/dbraw/zinc/17/78/80/1122177880.db2.gz LDFGPPBJFHNHAL-SNVBAGLBSA-N 0 1 253.336 3.963 20 0 CHADMN CC1(CN2CCN(c3cc(Cl)ccc3Cl)CC2)CC1 ZINC001182726210 1122185714 /nfs/dbraw/zinc/18/57/14/1122185714.db2.gz PKUHUYBHRUHTIV-UHFFFAOYSA-N 0 1 299.245 3.916 20 0 CHADMN C[C@H](C[N@H+]1C[C@@H](C)OCC12CCC2)c1ccc(F)cc1 ZINC001182725654 1122186245 /nfs/dbraw/zinc/18/62/45/1122186245.db2.gz LRICZQMIORQAGL-ZIAGYGMSSA-N 0 1 277.383 3.573 20 0 CHADMN Cc1cccc([C@H](NCc2ccn(C)n2)C(C)(C)C)c1 ZINC000272093280 1122190126 /nfs/dbraw/zinc/19/01/26/1122190126.db2.gz NNDGEWNPBNCJMD-INIZCTEOSA-N 0 1 271.408 3.606 20 0 CHADMN CCc1ccc(C)nc1NC[C@@H](OC)C1CCCC1 ZINC001182873258 1122192273 /nfs/dbraw/zinc/19/22/73/1122192273.db2.gz JAWPHZFHEJNTFV-OAHLLOKOSA-N 0 1 262.397 3.570 20 0 CHADMN COc1cc(C)nc(CNC(C)(C)c2cccc(F)c2)c1 ZINC000272137598 1122192937 /nfs/dbraw/zinc/19/29/37/1122192937.db2.gz NZXCRQNXODEEJS-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN COCC[C@H](NCc1ccc(F)c(F)c1)c1ccc(C)o1 ZINC000272318715 1122197399 /nfs/dbraw/zinc/19/73/99/1122197399.db2.gz PWKBPSKJJCSTPB-HNNXBMFYSA-N 0 1 295.329 3.734 20 0 CHADMN CSc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000272482164 1122203675 /nfs/dbraw/zinc/20/36/75/1122203675.db2.gz BCGWJAAHUPFXIG-UHFFFAOYSA-N 0 1 284.428 3.968 20 0 CHADMN CSc1ccc(CN(Cc2cccnc2)C2CC2)cc1 ZINC000272482164 1122203679 /nfs/dbraw/zinc/20/36/79/1122203679.db2.gz BCGWJAAHUPFXIG-UHFFFAOYSA-N 0 1 284.428 3.968 20 0 CHADMN COCC[C@H](NCc1cc(F)ccc1C)c1ccco1 ZINC000272497965 1122205066 /nfs/dbraw/zinc/20/50/66/1122205066.db2.gz GFLYMVFQPFAPMD-HNNXBMFYSA-N 0 1 277.339 3.595 20 0 CHADMN CC[C@@H](N[C@H](C)c1n[nH]c(C(C)C)n1)c1ccccc1F ZINC000272610218 1122207188 /nfs/dbraw/zinc/20/71/88/1122207188.db2.gz KFNPZBBASMGBJD-BXUZGUMPSA-N 0 1 290.386 3.869 20 0 CHADMN COCC[C@@H](NCc1ccc(SC)cc1)c1ccco1 ZINC000272595124 1122207351 /nfs/dbraw/zinc/20/73/51/1122207351.db2.gz RLQIUVCDIFHMAY-OAHLLOKOSA-N 0 1 291.416 3.869 20 0 CHADMN COc1nc(CN[C@H](C)c2ccccc2C)ccc1C ZINC001183136198 1122208197 /nfs/dbraw/zinc/20/81/97/1122208197.db2.gz IJMDSIPZCKKCIC-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)N1CC[C@H]([C@H](C)O)C1 ZINC000272641575 1122208968 /nfs/dbraw/zinc/20/89/68/1122208968.db2.gz XPXPQFPPOKVCEM-VWYCJHECSA-N 0 1 288.218 3.757 20 0 CHADMN COCC[C@@H](N[C@@H]1CCc2ccccc21)c1ccc(C)o1 ZINC000272688941 1122210370 /nfs/dbraw/zinc/21/03/70/1122210370.db2.gz WSYYBVJOKVTAIU-IAGOWNOFSA-N 0 1 285.387 3.943 20 0 CHADMN CCc1ccsc1C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000272709785 1122210560 /nfs/dbraw/zinc/21/05/60/1122210560.db2.gz HLJLOFKLEJDSDW-UHFFFAOYSA-N 0 1 285.319 3.532 20 0 CHADMN Cc1cccc2nc(NC(=O)Cc3cccc(C)c3C)[nH]c21 ZINC001183256023 1122214798 /nfs/dbraw/zinc/21/47/98/1122214798.db2.gz HGXCYJYTDJOIQN-UHFFFAOYSA-N 0 1 293.370 3.669 20 0 CHADMN Cc1nnc([C@H](C)N[C@@H]2CC(C)(C)CCc3ccccc32)[nH]1 ZINC000664289850 1122221152 /nfs/dbraw/zinc/22/11/52/1122221152.db2.gz OSBSGGOWUBMMOR-BLLLJJGKSA-N 0 1 298.434 3.868 20 0 CHADMN CCN(Cc1ccncc1)Cc1ccc(F)cc1C ZINC000273260226 1122225228 /nfs/dbraw/zinc/22/52/28/1122225228.db2.gz ZEIRPMAVGKFYPM-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN Cc1nc([C@H](C)NCCCNc2cccc(F)c2)cs1 ZINC000273312757 1122227351 /nfs/dbraw/zinc/22/73/51/1122227351.db2.gz XDTWMRPFPWTSME-NSHDSACASA-N 0 1 293.411 3.743 20 0 CHADMN COc1ncc(CN[C@@H](C)c2cc(C)oc2C)cc1Cl ZINC000273321898 1122228162 /nfs/dbraw/zinc/22/81/62/1122228162.db2.gz RCJJXJLGVJLWJH-JTQLQIEISA-N 0 1 294.782 3.804 20 0 CHADMN CCCSC[C@H](C)NCc1noc2c1CC(C)(C)CC2 ZINC001183643466 1122231942 /nfs/dbraw/zinc/23/19/42/1122231942.db2.gz RIAQJZQTJNZCIN-LBPRGKRZSA-N 0 1 296.480 3.811 20 0 CHADMN Cc1nc(CNc2nc3ccc(Cl)cc3[nH]2)sc1C ZINC001203572368 1122232318 /nfs/dbraw/zinc/23/23/18/1122232318.db2.gz NNQBGRNMAIFQMQ-UHFFFAOYSA-N 0 1 292.795 3.902 20 0 CHADMN O=C(Nc1c(Cl)ccc(O)c1Cl)C1(C2CC2)CC1 ZINC001183803184 1122241272 /nfs/dbraw/zinc/24/12/72/1122241272.db2.gz SXRUEDBOFQNZPD-UHFFFAOYSA-N 0 1 286.158 3.828 20 0 CHADMN Cc1ccc(CN[C@@H](c2cncc(F)c2)C2CC2)cc1F ZINC000467308533 1122246531 /nfs/dbraw/zinc/24/65/31/1122246531.db2.gz LHJMBNPPCZHQBV-QGZVFWFLSA-N 0 1 288.341 3.909 20 0 CHADMN C[C@@H]1C[C@@H]1N[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000924953060 1122255292 /nfs/dbraw/zinc/25/52/92/1122255292.db2.gz ZVIONAQIIDOVQO-RLCCDNCMSA-N 0 1 272.779 3.822 20 0 CHADMN CCOc1cc(C)ccc1CNCc1cccc(F)c1 ZINC000153382334 1122256097 /nfs/dbraw/zinc/25/60/97/1122256097.db2.gz VWMBRXIPIWQHBR-UHFFFAOYSA-N 0 1 273.351 3.823 20 0 CHADMN C/C(=C/c1ccccc1)CN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000503566231 1122268810 /nfs/dbraw/zinc/26/88/10/1122268810.db2.gz WHSDGCCXAXERMB-TXGUQYQFSA-N 0 1 259.393 3.588 20 0 CHADMN Brc1cccnc1CN[C@@H]1CC[C@H]1C1CCC1 ZINC001184339387 1122271688 /nfs/dbraw/zinc/27/16/88/1122271688.db2.gz QGIKSDQTVWTZGJ-WCQYABFASA-N 0 1 295.224 3.512 20 0 CHADMN Brc1cccnc1CN[C@@H]1CC[C@@H]1C1CCC1 ZINC001184339386 1122271372 /nfs/dbraw/zinc/27/13/72/1122271372.db2.gz QGIKSDQTVWTZGJ-DGCLKSJQSA-N 0 1 295.224 3.512 20 0 CHADMN Cc1noc([C@@H](N[C@@H](C)Cc2cccc(C)c2)C(C)C)n1 ZINC001184439924 1122274386 /nfs/dbraw/zinc/27/43/86/1122274386.db2.gz QPDKGIOVWSINDB-BBRMVZONSA-N 0 1 287.407 3.604 20 0 CHADMN CCCCO[C@@H]1C[C@H](N[C@H](C)c2cc(C)on2)C1(C)C ZINC000503882831 1122277542 /nfs/dbraw/zinc/27/75/42/1122277542.db2.gz BBRCNHYEHQRPES-VHDGCEQUSA-N 0 1 280.412 3.617 20 0 CHADMN COC1(C[C@H](C)Nc2ccc(CN(C)C)c(F)c2)CCC1 ZINC000760018456 1122281163 /nfs/dbraw/zinc/28/11/63/1122281163.db2.gz VLXQSPQNCQHYMR-ZDUSSCGKSA-N 0 1 294.414 3.647 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3CCC[C@H](C)C3)cc(F)c12 ZINC001184507029 1122281716 /nfs/dbraw/zinc/28/17/16/1122281716.db2.gz CTEGIGLNFGQUPH-GXSJLCMTSA-N 0 1 289.354 3.775 20 0 CHADMN C[C@@H]1CN(Cc2c(Cl)ccnc2F)[C@@H]2CCCC[C@H]21 ZINC001204960930 1122281819 /nfs/dbraw/zinc/28/18/19/1122281819.db2.gz LOFMWEMUXUSULZ-UHIISALHSA-N 0 1 282.790 3.885 20 0 CHADMN C[C@H](NCc1ccc2c(c1)CC(C)(C)O2)c1ccccn1 ZINC000071170133 1129044327 /nfs/dbraw/zinc/04/43/27/1129044327.db2.gz FCLOWGRPBLVVDA-ZDUSSCGKSA-N 0 1 282.387 3.646 20 0 CHADMN CC(C)[C@@H]1CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000504360655 1122293733 /nfs/dbraw/zinc/29/37/33/1122293733.db2.gz YMBMBKSJYDZGRO-OAHLLOKOSA-N 0 1 297.402 3.585 20 0 CHADMN FC[C@H]1CCCN(Cc2cccc(Br)c2)C1 ZINC000711509709 1122297013 /nfs/dbraw/zinc/29/70/13/1122297013.db2.gz DVOJLVNQZINRLI-GFCCVEGCSA-N 0 1 286.188 3.631 20 0 CHADMN COc1c(Cl)cc(CCN2CCCC2)cc1Cl ZINC001250165972 1122299003 /nfs/dbraw/zinc/29/90/03/1122299003.db2.gz BUZKJJAXOKDHHB-UHFFFAOYSA-N 0 1 274.191 3.640 20 0 CHADMN CC(C)[C@@H]1CCC[C@H](Nc2nc(Cl)nc3[nH]cnc32)C1 ZINC001185298462 1122332478 /nfs/dbraw/zinc/33/24/78/1122332478.db2.gz ICUXSVZZEOYAPS-ZJUUUORDSA-N 0 1 293.802 3.633 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@@H]1CCC[C@H](F)C1 ZINC000424747141 1122338214 /nfs/dbraw/zinc/33/82/14/1122338214.db2.gz FSBKNNMJHMFMNY-BDAKNGLRSA-N 0 1 271.719 3.512 20 0 CHADMN O=S(=O)(Nc1ccsc1)c1cc2ccccc2s1 ZINC001185426908 1122339417 /nfs/dbraw/zinc/33/94/17/1122339417.db2.gz XGWIPNKVXDFZED-UHFFFAOYSA-N 0 1 295.410 3.764 20 0 CHADMN O=C(/C=C/C1CC1)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000079672371 1129048515 /nfs/dbraw/zinc/04/85/15/1129048515.db2.gz YNYUCNJRPDGZQZ-VMPITWQZSA-N 0 1 293.326 3.728 20 0 CHADMN CC[C@H](C)CCC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000505228608 1122349427 /nfs/dbraw/zinc/34/94/27/1122349427.db2.gz BBCRCUKNYKMREJ-JTQLQIEISA-N 0 1 259.353 3.636 20 0 CHADMN CCc1nn(C)c(CC)c1C[N@@H+](Cc1ccccc1)C(C)C ZINC000505235942 1122350702 /nfs/dbraw/zinc/35/07/02/1122350702.db2.gz RNRRASPYIPSQES-UHFFFAOYSA-N 0 1 299.462 3.956 20 0 CHADMN [O-]c1cccc2c(N3CCC[C@@H](CCF)C3)cc[nH+]c12 ZINC000664413119 1122365690 /nfs/dbraw/zinc/36/56/90/1122365690.db2.gz BBZQSTUXAWWFOF-LBPRGKRZSA-N 0 1 274.339 3.516 20 0 CHADMN FCC[C@@H]1CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000664413612 1122365965 /nfs/dbraw/zinc/36/59/65/1122365965.db2.gz NSFGIBVDYPXCNF-LBPRGKRZSA-N 0 1 276.330 3.950 20 0 CHADMN CC1(C)CCC(CC(=O)NCc2[nH]nc3ccccc32)CC1 ZINC001185975701 1122370843 /nfs/dbraw/zinc/37/08/43/1122370843.db2.gz YRPXGGOUDICRDJ-UHFFFAOYSA-N 0 1 299.418 3.786 20 0 CHADMN CC(C)n1ncnc1CN1CC[C@@H](C)C2(CCCCC2)C1 ZINC000434491889 1122372531 /nfs/dbraw/zinc/37/25/31/1122372531.db2.gz LNADHIXZQOGSJT-OAHLLOKOSA-N 0 1 290.455 3.651 20 0 CHADMN CCC(CC)n1ccc(CN2CCSC(C)(C)CC2)n1 ZINC000434711531 1122395633 /nfs/dbraw/zinc/39/56/33/1122395633.db2.gz POIVDXBOZYHIPV-UHFFFAOYSA-N 0 1 295.496 3.962 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCSC(C)(C)C1 ZINC000434904851 1122421285 /nfs/dbraw/zinc/42/12/85/1122421285.db2.gz PHPATLQYJRGVLT-SNVBAGLBSA-N 0 1 271.376 3.853 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCSC(C)(C)C1 ZINC000434904851 1122421288 /nfs/dbraw/zinc/42/12/88/1122421288.db2.gz PHPATLQYJRGVLT-SNVBAGLBSA-N 0 1 271.376 3.853 20 0 CHADMN Cc1[nH]nc(CNc2nc3cc(C)ccc3s2)c1C ZINC001187504682 1122429967 /nfs/dbraw/zinc/42/99/67/1122429967.db2.gz YDCPDSZKBPKBRV-UHFFFAOYSA-N 0 1 272.377 3.557 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1C/C(C)=C/c1ccccc1 ZINC000505609698 1122437268 /nfs/dbraw/zinc/43/72/68/1122437268.db2.gz IXSRLZWIOLKOIV-SOOMZGJCSA-N 0 1 259.393 3.589 20 0 CHADMN CC1(C(=O)Nc2nc3ccc(F)cc3[nH]2)CCCCC1 ZINC000514703648 1122441915 /nfs/dbraw/zinc/44/19/15/1122441915.db2.gz UMKNXMRCZQFMQW-UHFFFAOYSA-N 0 1 275.327 3.611 20 0 CHADMN c1ccc(-c2n[nH]c(SCC3CC4(CCC4)C3)n2)nc1 ZINC001188093842 1122453861 /nfs/dbraw/zinc/45/38/61/1122453861.db2.gz DIOZAVSQPPFLDG-UHFFFAOYSA-N 0 1 286.404 3.539 20 0 CHADMN CCOc1ccc(CN(C)Cc2occc2C)cc1OC ZINC000505662138 1122457657 /nfs/dbraw/zinc/45/76/57/1122457657.db2.gz OLYSXAYLGVWINA-UHFFFAOYSA-N 0 1 289.375 3.627 20 0 CHADMN Fc1ccc2oc(CN3CC(CC(F)F)C3)cc2c1 ZINC000425364087 1122462852 /nfs/dbraw/zinc/46/28/52/1122462852.db2.gz DYCJYBWXFHTATH-UHFFFAOYSA-N 0 1 269.266 3.659 20 0 CHADMN FC(F)(F)c1ccc(OC2CN([C@@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC001167959024 1122466450 /nfs/dbraw/zinc/46/64/50/1122466450.db2.gz NDQFTHOPLRKBDG-PTEHBNRSSA-N 0 1 297.320 3.567 20 0 CHADMN CC(C)C[C@@H](C)CNCc1nc(-c2ccccc2)no1 ZINC000514972837 1122467443 /nfs/dbraw/zinc/46/74/43/1122467443.db2.gz RXYXHBJQTLCQTC-CYBMUJFWSA-N 0 1 273.380 3.508 20 0 CHADMN CSc1ccc(CCNc2cccc(C)n2)cc1 ZINC000435590846 1122477733 /nfs/dbraw/zinc/47/77/33/1122477733.db2.gz ZQZWSDVYRCMMPB-UHFFFAOYSA-N 0 1 258.390 3.767 20 0 CHADMN CC(C)[C@H]1CCC[C@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC000505708428 1122477820 /nfs/dbraw/zinc/47/78/20/1122477820.db2.gz ZMPAFIYCAWKSAW-STQMWFEESA-N 0 1 285.391 3.508 20 0 CHADMN C[C@@H]1[C@@H](C(=O)Nc2ccc3nc[nH]c3c2)[C@@H]1c1ccccc1 ZINC000435618288 1122478661 /nfs/dbraw/zinc/47/86/61/1122478661.db2.gz SMIGOHUEGPSCJA-MZPVMMEZSA-N 0 1 291.354 3.551 20 0 CHADMN Cc1cnc([C@@H](C)NCCSC(C)(C)C)s1 ZINC000284410474 1122482271 /nfs/dbraw/zinc/48/22/71/1122482271.db2.gz NVOQYRAHTLKMGB-SNVBAGLBSA-N 0 1 258.456 3.634 20 0 CHADMN COC(=O)[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(C)C ZINC000515180198 1122482472 /nfs/dbraw/zinc/48/24/72/1122482472.db2.gz ABBQAYYLIYBFLF-LLVKDONJSA-N 0 1 298.795 3.506 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@H]2c2ccc[nH]2)c1 ZINC000435768492 1122488621 /nfs/dbraw/zinc/48/86/21/1122488621.db2.gz DIMNKYPENWNHSH-INIZCTEOSA-N 0 1 258.340 3.799 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCC(C)CC3)n[nH]2)cc1C ZINC000435821690 1122492127 /nfs/dbraw/zinc/49/21/27/1122492127.db2.gz HIKCBBVRMGRHEH-UHFFFAOYSA-N 0 1 297.402 3.566 20 0 CHADMN Fc1ccc(CCc2cc3[nH]ncc3c(F)c2)cc1 ZINC001250326399 1122496786 /nfs/dbraw/zinc/49/67/86/1122496786.db2.gz VOFALGPYVQFLHV-UHFFFAOYSA-N 0 1 258.271 3.626 20 0 CHADMN CC[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000515410919 1122497570 /nfs/dbraw/zinc/49/75/70/1122497570.db2.gz LIEDNLYCLAZDIL-CHWSQXEVSA-N 0 1 294.826 3.789 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2snnc2C)c(C)s1 ZINC000930196987 1122503154 /nfs/dbraw/zinc/50/31/54/1122503154.db2.gz MJKYCQJAFOACOB-BDAKNGLRSA-N 0 1 281.450 3.937 20 0 CHADMN CC(C)c1nc(C[N@H+]2CCCC3(CC3)C2)c2ccccn21 ZINC000515491228 1122504166 /nfs/dbraw/zinc/50/41/66/1122504166.db2.gz YYVVGANECPJYKD-UHFFFAOYSA-N 0 1 283.419 3.834 20 0 CHADMN CC(C)c1nc(CN2CCCC3(CC3)C2)c2ccccn21 ZINC000515491228 1122504170 /nfs/dbraw/zinc/50/41/70/1122504170.db2.gz YYVVGANECPJYKD-UHFFFAOYSA-N 0 1 283.419 3.834 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C(C)(C)C1 ZINC000515489321 1122504448 /nfs/dbraw/zinc/50/44/48/1122504448.db2.gz BIUBGDTYGJSDFY-JTQLQIEISA-N 0 1 281.783 3.659 20 0 CHADMN CCN(Cc1ccccc1Cl)C[C@H]1CCCCO1 ZINC000515547000 1122509347 /nfs/dbraw/zinc/50/93/47/1122509347.db2.gz CUGZAMZUWQRWAT-CQSZACIVSA-N 0 1 267.800 3.731 20 0 CHADMN CCc1ccc(-c2noc(CN(CC(C)C)C3CC3)n2)cc1 ZINC000515549593 1122509408 /nfs/dbraw/zinc/50/94/08/1122509408.db2.gz FHTLHXCVRZVUPU-UHFFFAOYSA-N 0 1 299.418 3.919 20 0 CHADMN CCCN(CC)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000436083188 1122510391 /nfs/dbraw/zinc/51/03/91/1122510391.db2.gz NNURUJPNYAKBOV-UHFFFAOYSA-N 0 1 285.391 3.566 20 0 CHADMN Cc1cc(N2CC[C@@H]3C[C@@H]3C2)c2cc(F)ccc2n1 ZINC000664522679 1122511798 /nfs/dbraw/zinc/51/17/98/1122511798.db2.gz GOTUATIWNPRYKM-VXGBXAGGSA-N 0 1 256.324 3.529 20 0 CHADMN CCC[C@H](NCc1nc(C(F)F)no1)C1CCCCC1 ZINC000425465100 1122513759 /nfs/dbraw/zinc/51/37/59/1122513759.db2.gz ZCJMSDAWINPZGM-NSHDSACASA-N 0 1 287.354 3.846 20 0 CHADMN OCC[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000505770897 1122523243 /nfs/dbraw/zinc/52/32/43/1122523243.db2.gz IYZZCHOFILTRMH-CQSZACIVSA-N 0 1 288.218 3.730 20 0 CHADMN CC1=CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000436263252 1122529940 /nfs/dbraw/zinc/52/99/40/1122529940.db2.gz NCGOSQWARZVMJI-UHFFFAOYSA-N 0 1 255.283 3.857 20 0 CHADMN COc1ccccc1CNCc1cc2c(cccc2F)[nH]1 ZINC000436270357 1122532154 /nfs/dbraw/zinc/53/21/54/1122532154.db2.gz APUDSUIWXLIETM-UHFFFAOYSA-N 0 1 284.334 3.605 20 0 CHADMN FCCN[C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000436311252 1122538941 /nfs/dbraw/zinc/53/89/41/1122538941.db2.gz SDUMPMBRTZXBJX-OAHLLOKOSA-N 0 1 278.758 3.578 20 0 CHADMN CCc1noc(C)c1CN[C@@](C)(CC)c1ccccc1 ZINC000775388877 1122539668 /nfs/dbraw/zinc/53/96/68/1122539668.db2.gz UWEQPPDMCDTCTI-KRWDZBQOSA-N 0 1 272.392 3.960 20 0 CHADMN CCn1nc(C)c(CN2CCC[C@@H]2CC2CCCCC2)n1 ZINC001190643888 1122550587 /nfs/dbraw/zinc/55/05/87/1122550587.db2.gz PTKKRDOGHGKBCO-MRXNPFEDSA-N 0 1 290.455 3.541 20 0 CHADMN CC[C@@H](NCc1cccc(N)c1)c1cc(F)ccc1F ZINC000436483366 1122554474 /nfs/dbraw/zinc/55/44/74/1122554474.db2.gz DVSTULKBZWLGAD-MRXNPFEDSA-N 0 1 276.330 3.788 20 0 CHADMN CC[C@H](C)[C@H](C)N1CCO[C@H](c2cccc(F)c2)C1 ZINC001190790824 1122555283 /nfs/dbraw/zinc/55/52/83/1122555283.db2.gz FFRQPPNLWIIQGF-XEZPLFJOSA-N 0 1 265.372 3.634 20 0 CHADMN Fc1cc2[nH]ccc2c(Nc2ccc3nccn3c2)c1 ZINC001203727192 1122556643 /nfs/dbraw/zinc/55/66/43/1122556643.db2.gz NMVWBRNROSNFCY-UHFFFAOYSA-N 0 1 266.279 3.698 20 0 CHADMN CC(C)N(C)Cc1ccc(Cl)cc1Br ZINC000505853047 1122568139 /nfs/dbraw/zinc/56/81/39/1122568139.db2.gz FNXXYYLNDQXSGD-UHFFFAOYSA-N 0 1 276.605 3.943 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H]2CC23CCCC3)c1 ZINC000436649904 1122568175 /nfs/dbraw/zinc/56/81/75/1122568175.db2.gz XTJAWWQFEHRVGG-GFCCVEGCSA-N 0 1 287.359 3.504 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)c2cccc(C)c2C)c1 ZINC000436649074 1122569583 /nfs/dbraw/zinc/56/95/83/1122569583.db2.gz VKUNQECCXGDMQW-UHFFFAOYSA-N 0 1 297.354 3.854 20 0 CHADMN CCN(Cc1cnc2cccc(C)n12)Cc1ccccc1 ZINC000505859120 1122570022 /nfs/dbraw/zinc/57/00/22/1122570022.db2.gz PVAZTIMGCHNSJO-UHFFFAOYSA-N 0 1 279.387 3.665 20 0 CHADMN Fc1cccc(Cl)c1CNC[C@@H]1COc2ccccc21 ZINC000516111513 1122570125 /nfs/dbraw/zinc/57/01/25/1122570125.db2.gz SVQWWOQAGOAERF-LLVKDONJSA-N 0 1 291.753 3.745 20 0 CHADMN CCc1ccc([C@H]2COCCN2C[C@H](C)C(C)(C)C)o1 ZINC001191121281 1122575100 /nfs/dbraw/zinc/57/51/00/1122575100.db2.gz JNXIDZITLVKNCB-DZGCQCFKSA-N 0 1 279.424 3.898 20 0 CHADMN CCc1ccc([C@@H]2CCCCCN2CC2=NOCC2)o1 ZINC001191121935 1122575570 /nfs/dbraw/zinc/57/55/70/1122575570.db2.gz ONFJOPKYBYXQMP-HNNXBMFYSA-N 0 1 276.380 3.535 20 0 CHADMN CC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C(C)(C)C ZINC000436735387 1122576395 /nfs/dbraw/zinc/57/63/95/1122576395.db2.gz CTVWQBVQFXBEHR-GFCCVEGCSA-N 0 1 269.772 3.600 20 0 CHADMN Cc1n[nH]c(C(=O)NCCCCC2CCCCC2)c1C ZINC001191130497 1122579995 /nfs/dbraw/zinc/57/99/95/1122579995.db2.gz LIMGWBUWQARWAP-UHFFFAOYSA-N 0 1 277.412 3.507 20 0 CHADMN Cn1c2ccc(Cl)cc2nc1-c1cc(F)c(O)c(F)c1 ZINC000436779377 1122581296 /nfs/dbraw/zinc/58/12/96/1122581296.db2.gz KGZGHSMLSDOMQJ-UHFFFAOYSA-N 0 1 294.688 3.878 20 0 CHADMN CCOC(=O)/C=C\CN1CCCCC[C@H]1c1ccc(C)o1 ZINC001191176742 1122583177 /nfs/dbraw/zinc/58/31/77/1122583177.db2.gz ZHMYDGPMANCJGO-VIHMKRCTSA-N 0 1 291.391 3.624 20 0 CHADMN CC(C)CC[C@H]1CCCCN1C(=O)c1c(O)cccc1F ZINC000436891627 1122592132 /nfs/dbraw/zinc/59/21/32/1122592132.db2.gz XYRGSZZQYHUAKK-CYBMUJFWSA-N 0 1 293.382 3.962 20 0 CHADMN Cc1cccc2nc(N[C@H](C)c3cccc(O)c3)sc21 ZINC000436957179 1122599193 /nfs/dbraw/zinc/59/91/93/1122599193.db2.gz WIIYDIYFKYLOBX-LLVKDONJSA-N 0 1 284.384 3.905 20 0 CHADMN COC(=O)c1cccc(CN2CCc3ccccc3[C@@H]2C)c1 ZINC001191477229 1122601215 /nfs/dbraw/zinc/60/12/15/1122601215.db2.gz WEWNCCCCWHQGKM-AWEZNQCLSA-N 0 1 295.382 3.593 20 0 CHADMN COc1cc(F)c(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1OC ZINC000516479321 1122603520 /nfs/dbraw/zinc/60/35/20/1122603520.db2.gz VHBJFAHOMMWXRZ-IUODEOHRSA-N 0 1 293.382 3.607 20 0 CHADMN Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1occc1C(=O)[O-] ZINC000516479848 1122603583 /nfs/dbraw/zinc/60/35/83/1122603583.db2.gz ZRARYKBDYNPGRX-HNNXBMFYSA-N 0 1 285.343 3.623 20 0 CHADMN CCc1onc(C)c1C[N@@H+](C)[C@H](C)Cc1cccs1 ZINC001191463631 1122603646 /nfs/dbraw/zinc/60/36/46/1122603646.db2.gz FIMWIVRNSMDTHU-LLVKDONJSA-N 0 1 278.421 3.670 20 0 CHADMN COC(=O)c1ccc([C@@H]2CCCCN2Cc2ccco2)cc1 ZINC001203289280 1122606340 /nfs/dbraw/zinc/60/63/40/1122606340.db2.gz AIFOXLBPBCIGMT-KRWDZBQOSA-N 0 1 299.370 3.793 20 0 CHADMN CCOC(C)(C)CN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000437084901 1122612343 /nfs/dbraw/zinc/61/23/43/1122612343.db2.gz XTLIDPHPAWYRBO-MRVPVSSYSA-N 0 1 296.358 3.628 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CCCC[C@H]1CC1CCC1 ZINC000620573899 1129066888 /nfs/dbraw/zinc/06/68/88/1129066888.db2.gz UTYSXGMLRNRYKE-HNNXBMFYSA-N 0 1 297.402 3.748 20 0 CHADMN COCCN(Cc1cccs1)Cc1ccc(F)c(C)c1 ZINC000506027831 1122627386 /nfs/dbraw/zinc/62/73/86/1122627386.db2.gz URWPEMACUCHKPT-UHFFFAOYSA-N 0 1 293.407 3.844 20 0 CHADMN CCO[C@@H](CN1CCc2c(F)cc(F)cc2[C@@H]1C)C1CC1 ZINC001192213860 1122632074 /nfs/dbraw/zinc/63/20/74/1122632074.db2.gz MIHIYCFHLWUWCM-GTNSWQLSSA-N 0 1 295.373 3.699 20 0 CHADMN Cc1ccc(-c2nnc(CN(C)[C@@H](C)C3(C)CC3)o2)cc1 ZINC000437539565 1122639498 /nfs/dbraw/zinc/63/94/98/1122639498.db2.gz UITMZUODQUKQBJ-ZDUSSCGKSA-N 0 1 285.391 3.665 20 0 CHADMN Fc1cccc2c1CCN(CCSc1ccccc1)C2 ZINC001192302083 1122639870 /nfs/dbraw/zinc/63/98/70/1122639870.db2.gz GVXLLGPBPJBJFO-UHFFFAOYSA-N 0 1 287.403 3.976 20 0 CHADMN Cc1cc(NC(=O)Nc2c(O)cc(F)cc2F)ccc1F ZINC001192382835 1122642890 /nfs/dbraw/zinc/64/28/90/1122642890.db2.gz YCOGPHMYONYYAP-UHFFFAOYSA-N 0 1 296.248 3.762 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc2nc(C)ccc2c1 ZINC000437583889 1122643636 /nfs/dbraw/zinc/64/36/36/1122643636.db2.gz UMILSTDOBMBXLX-WMLDXEAASA-N 0 1 284.403 3.543 20 0 CHADMN C[C@H]1CCN(CCCc2ccccc2Cl)C[C@@H]1F ZINC001192546751 1122651098 /nfs/dbraw/zinc/65/10/98/1122651098.db2.gz NSRRRWMGVYVORB-WFASDCNBSA-N 0 1 269.791 3.953 20 0 CHADMN COc1cccc(OC)c1-c1nc2c(cc(F)cc2C)[nH]1 ZINC001250482172 1122653685 /nfs/dbraw/zinc/65/36/85/1122653685.db2.gz HPGXKJIBQXJABY-UHFFFAOYSA-N 0 1 286.306 3.695 20 0 CHADMN CC(C)[C@H]1CCCCC[N@H+]1Cc1c(F)cncc1F ZINC001192654190 1122654203 /nfs/dbraw/zinc/65/42/03/1122654203.db2.gz WEWMCVMGBMNDQV-OAHLLOKOSA-N 0 1 268.351 3.760 20 0 CHADMN CC(C)[C@H]1CCCCCN1Cc1c(F)cncc1F ZINC001192654190 1122654204 /nfs/dbraw/zinc/65/42/04/1122654204.db2.gz WEWMCVMGBMNDQV-OAHLLOKOSA-N 0 1 268.351 3.760 20 0 CHADMN CCO[C@H](C)c1noc(C[N@H+]2CCCCC[C@H]2C(C)C)n1 ZINC001192654071 1122654220 /nfs/dbraw/zinc/65/42/20/1122654220.db2.gz UQDSSVQBLXEUNQ-KGLIPLIRSA-N 0 1 295.427 3.568 20 0 CHADMN CCO[C@H](C)c1noc(CN2CCCCC[C@H]2C(C)C)n1 ZINC001192654071 1122654221 /nfs/dbraw/zinc/65/42/21/1122654221.db2.gz UQDSSVQBLXEUNQ-KGLIPLIRSA-N 0 1 295.427 3.568 20 0 CHADMN Cc1cncc(CN(Cc2ccccn2)C2CCCCC2)n1 ZINC001203173123 1122655000 /nfs/dbraw/zinc/65/50/00/1122655000.db2.gz CQAHWAFPGATUBV-UHFFFAOYSA-N 0 1 296.418 3.515 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(-c2ccc(C)cc2)o1 ZINC000901605597 1129069548 /nfs/dbraw/zinc/06/95/48/1129069548.db2.gz WFVVNJZLVWZMPX-UHFFFAOYSA-N 0 1 287.359 3.552 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000425932458 1122663703 /nfs/dbraw/zinc/66/37/03/1122663703.db2.gz QATVCIAITTTXFN-ZDUSSCGKSA-N 0 1 297.402 3.942 20 0 CHADMN C=C/C=C\CCN1CCn2c(Cl)ccc2[C@H]1C ZINC001192947321 1122663808 /nfs/dbraw/zinc/66/38/08/1122663808.db2.gz NWVDMYWYMSNVMN-QMAVJUDZSA-N 0 1 250.773 3.650 20 0 CHADMN Cc1ccc2cc(CN(C)Cc3ccc[nH]3)ccc2n1 ZINC000438111226 1122679346 /nfs/dbraw/zinc/67/93/46/1122679346.db2.gz UHFYMQXZWFFZPE-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN C[C@@H]1CN(Cc2cc3ccccc3s2)[C@@H](C)[C@H](C)O1 ZINC000438349938 1122691997 /nfs/dbraw/zinc/69/19/97/1122691997.db2.gz CQSUDGGCYUAFTR-AGIUHOORSA-N 0 1 275.417 3.899 20 0 CHADMN Cc1oc2ccccc2c1CN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000438364675 1122694276 /nfs/dbraw/zinc/69/42/76/1122694276.db2.gz OPZHXQOXBGRLCN-YNEHKIRRSA-N 0 1 273.376 3.739 20 0 CHADMN Cc1cccc(CN(C)Cc2cnc3c(C)cccn23)c1 ZINC000506217162 1122694604 /nfs/dbraw/zinc/69/46/04/1122694604.db2.gz JIMZRMXBHZCPPA-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN CC(C)[C@H]1CCN(Cc2nc3ccccc3n2C(F)F)C1 ZINC000438505023 1122707011 /nfs/dbraw/zinc/70/70/11/1122707011.db2.gz YWGSUQQOTZWAQM-LBPRGKRZSA-N 0 1 293.361 3.909 20 0 CHADMN Cc1cc(F)cc2c1CN(CCOCCC(C)C)CC2 ZINC001193772813 1122714438 /nfs/dbraw/zinc/71/44/38/1122714438.db2.gz LGJVMMDWXRISNX-UHFFFAOYSA-N 0 1 279.399 3.555 20 0 CHADMN CC[C@H](NCc1cccc2c1NCCC2)c1c(C)noc1C ZINC000894360922 1122715858 /nfs/dbraw/zinc/71/58/58/1122715858.db2.gz BHBXAOLXACHZBS-INIZCTEOSA-N 0 1 299.418 3.890 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H]1C[C@H](C)n2ncnc21)C(C)C ZINC000925036094 1122719705 /nfs/dbraw/zinc/71/97/05/1122719705.db2.gz CKRVNQKMSQIEDQ-NUEKZKHPSA-N 0 1 284.407 3.579 20 0 CHADMN Cc1ccc(CN2CCO[C@H](c3ccccc3)C2)cc1C ZINC000506340953 1122721178 /nfs/dbraw/zinc/72/11/78/1122721178.db2.gz OFVLHFBIYNUTRB-IBGZPJMESA-N 0 1 281.399 3.877 20 0 CHADMN Cc1ccn2c(CN(Cc3ccccc3)C3CC3)cnc2c1 ZINC000506342669 1122722203 /nfs/dbraw/zinc/72/22/03/1122722203.db2.gz UXMDXKBYDLKJOC-UHFFFAOYSA-N 0 1 291.398 3.807 20 0 CHADMN CC(F)(F)CCCN1CC[C@](F)(c2ccccc2)C1 ZINC001193826617 1122722747 /nfs/dbraw/zinc/72/27/47/1122722747.db2.gz GJKZBBWPPDMZBG-OAHLLOKOSA-N 0 1 271.326 3.993 20 0 CHADMN Cc1cc(C)cc(CN2CCO[C@@H](c3ccccc3)C2)c1 ZINC000506358361 1122724082 /nfs/dbraw/zinc/72/40/82/1122724082.db2.gz YDBYVOLTNHPPPP-LJQANCHMSA-N 0 1 281.399 3.877 20 0 CHADMN CC[C@H]1CCCN(Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000509544795 1122729508 /nfs/dbraw/zinc/72/95/08/1122729508.db2.gz RDKSBARTZFXWCT-LBPRGKRZSA-N 0 1 291.826 3.849 20 0 CHADMN Fc1ccc(C2(NCc3cnc[nH]3)CCCCC2)c(F)c1 ZINC000894369766 1122738284 /nfs/dbraw/zinc/73/82/84/1122738284.db2.gz XJQLXOSJOFYSSM-UHFFFAOYSA-N 0 1 291.345 3.637 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)o1 ZINC000294912608 1122738393 /nfs/dbraw/zinc/73/83/93/1122738393.db2.gz FCDHZHVUGRFZOC-GXSJLCMTSA-N 0 1 261.287 3.751 20 0 CHADMN CC(C)CSCCC[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC001194019229 1122739184 /nfs/dbraw/zinc/73/91/84/1122739184.db2.gz BPKUMMFUSTWUDL-AWEZNQCLSA-N 0 1 273.486 3.513 20 0 CHADMN CCCCCC[C@@H](C)NCc1ncc(C(F)(F)F)cn1 ZINC000294990172 1122740528 /nfs/dbraw/zinc/74/05/28/1122740528.db2.gz KNWWUGUPLCCOMY-LLVKDONJSA-N 0 1 289.345 3.944 20 0 CHADMN CC(C)(C)[C@@H]1CN(C[C@@H]2CCC3(CCCCC3)O2)CCO1 ZINC000578410671 1122752911 /nfs/dbraw/zinc/75/29/11/1122752911.db2.gz OLHRHKBFFMOYKK-HOTGVXAUSA-N 0 1 295.467 3.615 20 0 CHADMN Cc1ccoc1CN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000426332497 1122766623 /nfs/dbraw/zinc/76/66/23/1122766623.db2.gz DLLDQVOKOMBUNO-LBPRGKRZSA-N 0 1 298.386 3.669 20 0 CHADMN COC[C@@H]1CN([C@@H](C)c2ccc(C(C)C)cc2)C[C@@H](C)O1 ZINC000439278336 1122767318 /nfs/dbraw/zinc/76/73/18/1122767318.db2.gz YRXTXZXLKBHCMX-VKJFTORMSA-N 0 1 291.435 3.607 20 0 CHADMN CCc1nc(C)c(CN[C@H]2c3cc(F)ccc3C[C@H]2C)o1 ZINC000426339209 1122767600 /nfs/dbraw/zinc/76/76/00/1122767600.db2.gz KAPGAFWFMMRKKE-BMLIUANNSA-N 0 1 288.366 3.708 20 0 CHADMN Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+](C)C1CC1 ZINC000153759334 1129076646 /nfs/dbraw/zinc/07/66/46/1129076646.db2.gz NWUJQTLOMCLZLZ-UHFFFAOYSA-N 0 1 289.810 3.737 20 0 CHADMN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN(C)C1CC1 ZINC000153759334 1129076648 /nfs/dbraw/zinc/07/66/48/1129076648.db2.gz NWUJQTLOMCLZLZ-UHFFFAOYSA-N 0 1 289.810 3.737 20 0 CHADMN Cc1ncccc1CN[C@@H](C)c1ccc(Cl)s1 ZINC000093117659 1122770853 /nfs/dbraw/zinc/77/08/53/1122770853.db2.gz DNASCDFIYVRVLF-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN CC[N@@H+](CC(C)C)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000153756825 1129077159 /nfs/dbraw/zinc/07/71/59/1129077159.db2.gz DGQQHHFHRFPWLR-ZDUSSCGKSA-N 0 1 273.380 3.776 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2cccc3[nH]ccc32)cn1 ZINC000426373345 1122777134 /nfs/dbraw/zinc/77/71/34/1122777134.db2.gz SAHIMCNUAVBENZ-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN Cc1ccc(OC(=O)Nc2cnccc2N2CCCC2)cc1 ZINC001194430669 1122777347 /nfs/dbraw/zinc/77/73/47/1122777347.db2.gz XMSHNLINMUHGTQ-UHFFFAOYSA-N 0 1 297.358 3.601 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1cncs1 ZINC000426381555 1122777827 /nfs/dbraw/zinc/77/78/27/1122777827.db2.gz NTROUWZKBISPGN-JYRVWZFOSA-N 0 1 258.390 3.678 20 0 CHADMN CSCCCN(C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000439462820 1122782957 /nfs/dbraw/zinc/78/29/57/1122782957.db2.gz AEQJYNZWYYJROD-JTQLQIEISA-N 0 1 297.449 3.544 20 0 CHADMN CSCCCN(C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000439476145 1122783722 /nfs/dbraw/zinc/78/37/22/1122783722.db2.gz ZRFMMWCTKWMDPF-UHFFFAOYSA-N 0 1 294.395 3.666 20 0 CHADMN CC(C)Cn1cc(CN(C)Cc2cccc3[nH]ccc32)cn1 ZINC000426403744 1122784454 /nfs/dbraw/zinc/78/44/54/1122784454.db2.gz MCJNELHHOIJRSM-UHFFFAOYSA-N 0 1 296.418 3.652 20 0 CHADMN Cc1c(C)c(C)c(CN(C2CC2)C2COC2)c(C)c1C ZINC001194598918 1122785126 /nfs/dbraw/zinc/78/51/26/1122785126.db2.gz HMFOYRWEEVCERO-UHFFFAOYSA-N 0 1 273.420 3.592 20 0 CHADMN COc1cc2[nH]c([C@H](C)C(F)(F)F)nc2cc1C ZINC001250586376 1122786074 /nfs/dbraw/zinc/78/60/74/1122786074.db2.gz QORMRBWJEYLIKY-ZETCQYMHSA-N 0 1 258.243 3.546 20 0 CHADMN Fc1cc2[nH]c([C@H]3CCC=CO3)nc2cc1Cl ZINC001250586893 1122787485 /nfs/dbraw/zinc/78/74/85/1122787485.db2.gz WDYVKUGFNKBWED-LLVKDONJSA-N 0 1 252.676 3.721 20 0 CHADMN COc1c(Cl)cc(Cl)cc1CN(C)C1CC1 ZINC000153778421 1129077928 /nfs/dbraw/zinc/07/79/28/1129077928.db2.gz DSVJZDYDMHIEKT-UHFFFAOYSA-N 0 1 260.164 3.596 20 0 CHADMN CC[C@H](N[C@H](C)c1nccn1CC)c1ccccc1 ZINC000297156553 1122789744 /nfs/dbraw/zinc/78/97/44/1122789744.db2.gz BDLDWUDERCXGDW-HIFRSBDPSA-N 0 1 257.381 3.705 20 0 CHADMN CCc1cc(C(=O)Nc2ccc3nc[nH]c3c2)oc1CC ZINC000426425247 1122791530 /nfs/dbraw/zinc/79/15/30/1122791530.db2.gz ABKVMVBDWOQSAB-UHFFFAOYSA-N 0 1 283.331 3.533 20 0 CHADMN c1csc(-c2cnc(CN3CC[C@@H]4CCC[C@H]43)o2)c1 ZINC000426453393 1122797648 /nfs/dbraw/zinc/79/76/48/1122797648.db2.gz GAPFOLYGFNZIEV-NWDGAFQWSA-N 0 1 274.389 3.778 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)NCc2cnsc2)c1 ZINC000712914782 1122810053 /nfs/dbraw/zinc/81/00/53/1122810053.db2.gz SFDVQKRFKWWYCP-GFCCVEGCSA-N 0 1 276.405 3.781 20 0 CHADMN COc1cccc(CN(C)[C@H]2CC2(C)C)c1OC(C)C ZINC000426557105 1122822211 /nfs/dbraw/zinc/82/22/11/1122822211.db2.gz DLKVIKQEXOHFQX-HNNXBMFYSA-N 0 1 277.408 3.713 20 0 CHADMN Cc1noc(C)c1CN[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000153980638 1129080516 /nfs/dbraw/zinc/08/05/16/1129080516.db2.gz KTLUAMJBSBHHHC-NSHDSACASA-N 0 1 276.355 3.898 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000506767204 1122826786 /nfs/dbraw/zinc/82/67/86/1122826786.db2.gz LUFBMUBLOJHSGY-GFCCVEGCSA-N 0 1 275.289 3.908 20 0 CHADMN C[C@H](NCc1cccc2c1OCO2)c1cc2ccccc2[nH]1 ZINC000775621845 1122827413 /nfs/dbraw/zinc/82/74/13/1122827413.db2.gz NANVACVSGSSUSA-LBPRGKRZSA-N 0 1 294.354 3.747 20 0 CHADMN Cc1nc2cc(NC[C@@H]3CCC(F)(F)C3)ccc2[nH]1 ZINC000712967570 1122828978 /nfs/dbraw/zinc/82/89/78/1122828978.db2.gz QAKOYBZLSQEHST-SNVBAGLBSA-N 0 1 265.307 3.719 20 0 CHADMN COC[C@@H](N[C@H](C)c1nc(C(C)(C)C)cs1)C(C)C ZINC000154015131 1129080892 /nfs/dbraw/zinc/08/08/92/1129080892.db2.gz RJHXRICUBKPNCD-VXGBXAGGSA-N 0 1 284.469 3.762 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1CCC(CCO)CC1 ZINC000519344313 1122831979 /nfs/dbraw/zinc/83/19/79/1122831979.db2.gz DRWVTVCSWCLEER-LLVKDONJSA-N 0 1 285.790 3.635 20 0 CHADMN CCCSC[C@@H](C)N[C@@H](C)c1c(F)cncc1F ZINC000894434906 1122852661 /nfs/dbraw/zinc/85/26/61/1122852661.db2.gz KOMOAHQEERMFOX-ZJUUUORDSA-N 0 1 274.380 3.542 20 0 CHADMN Cc1coc(CN2C[C@@H](C)C[C@@H]2c2cccnc2)c1 ZINC000894461202 1122857771 /nfs/dbraw/zinc/85/77/71/1122857771.db2.gz DAOWABBRINHTNL-BLLLJJGKSA-N 0 1 256.349 3.566 20 0 CHADMN CSc1ccc(CN2C[C@@H](C)C[C@H]2c2cccnc2)o1 ZINC000894462538 1122858452 /nfs/dbraw/zinc/85/84/52/1122858452.db2.gz XEWHXHVYVIKHGU-WFASDCNBSA-N 0 1 288.416 3.980 20 0 CHADMN Cc1cccc(Cl)c1S(=O)(=O)Nc1cccs1 ZINC001195270486 1122858972 /nfs/dbraw/zinc/85/89/72/1122858972.db2.gz AFYRRCAYZFNQMV-UHFFFAOYSA-N 0 1 287.793 3.511 20 0 CHADMN Cc1ncoc1CN[C@@H]1c2ccccc2CCC[C@@H]1C ZINC000894470956 1122859114 /nfs/dbraw/zinc/85/91/14/1122859114.db2.gz OXCVFAOMHMREMY-SJCJKPOMSA-N 0 1 270.376 3.786 20 0 CHADMN c1ccc(CN(Cc2ccc3c(c2)CCCO3)C2CC2)nc1 ZINC000894489640 1122863605 /nfs/dbraw/zinc/86/36/05/1122863605.db2.gz CYSAKHBFGJNTQM-UHFFFAOYSA-N 0 1 294.398 3.571 20 0 CHADMN Nc1c(F)cccc1CN1CCC[C@H]1c1ccsc1 ZINC000637911181 1129235637 /nfs/dbraw/zinc/23/56/37/1129235637.db2.gz YVTKFEHERBMNRN-AWEZNQCLSA-N 0 1 276.380 3.807 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3[C@H](C)CC[C@H]3C)n[nH]2)cc1C ZINC000440455715 1122868782 /nfs/dbraw/zinc/86/87/82/1122868782.db2.gz ARAKCNHNGDSXAS-ZIAGYGMSSA-N 0 1 297.402 3.707 20 0 CHADMN CO[C@@H](CN1CC(C)(C)[C@H]1c1ccncc1)c1ccccc1 ZINC000664830212 1122873437 /nfs/dbraw/zinc/87/34/37/1122873437.db2.gz SNFORJIFOOZUQL-ZWKOTPCHSA-N 0 1 296.414 3.852 20 0 CHADMN c1ccc([C@H]2C[C@@H]3[C@@H](CCCN3Cc3cccnc3)O2)cc1 ZINC001195704499 1122883738 /nfs/dbraw/zinc/88/37/38/1122883738.db2.gz MVXZCMQNRQVODH-GUDVDZBRSA-N 0 1 294.398 3.576 20 0 CHADMN CCCOc1ccc(C(C)(C)NCc2ocnc2C)cc1 ZINC000894640011 1122884969 /nfs/dbraw/zinc/88/49/69/1122884969.db2.gz XPNHWVWPJOSEFF-UHFFFAOYSA-N 0 1 288.391 3.797 20 0 CHADMN COc1ccccc1CNCc1cc(C)sc1C ZINC000049684831 1122892251 /nfs/dbraw/zinc/89/22/51/1122892251.db2.gz NYZVKTZORJFIIQ-UHFFFAOYSA-N 0 1 261.390 3.663 20 0 CHADMN CCOc1cc(F)c(CN2CC3CCC(CC3)C2)c(F)c1 ZINC001143575755 1122896393 /nfs/dbraw/zinc/89/63/93/1122896393.db2.gz KUHQJTSZPDPVKX-UHFFFAOYSA-N 0 1 295.373 3.986 20 0 CHADMN C[C@@H]1CC[C@H](CSc2nc3ccc(Cl)cc3[nH]2)O1 ZINC000473795611 1122897981 /nfs/dbraw/zinc/89/79/81/1122897981.db2.gz KXJHDWJQYAZDEL-PSASIEDQSA-N 0 1 282.796 3.876 20 0 CHADMN Clc1n[nH]c(C2CC2)c1CN1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000894735360 1122900261 /nfs/dbraw/zinc/90/02/61/1122900261.db2.gz IARDMGIXXQOWEY-WFASDCNBSA-N 0 1 291.826 3.561 20 0 CHADMN CCC[C@@H]1CCCC[C@H]1NCc1nnc(C(C)(C)C)o1 ZINC000775677704 1122900959 /nfs/dbraw/zinc/90/09/59/1122900959.db2.gz IGRVBOLJMYXTAN-CHWSQXEVSA-N 0 1 279.428 3.816 20 0 CHADMN C[C@@H]1CCC[C@H](C)CN1Cc1nc(C2CCCC2)no1 ZINC000154257300 1129085587 /nfs/dbraw/zinc/08/55/87/1129085587.db2.gz KCDBSPBICDLNCC-QWHCGFSZSA-N 0 1 277.412 3.738 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cccc(C2CC2)c1 ZINC000262052875 1122901218 /nfs/dbraw/zinc/90/12/18/1122901218.db2.gz CZEARALOBLSKKL-KSZLIROESA-N 0 1 299.414 3.782 20 0 CHADMN C[C@H]1CCCC[C@@H]1Sc1nc(-c2ccccc2O)n[nH]1 ZINC000629111575 1122902287 /nfs/dbraw/zinc/90/22/87/1122902287.db2.gz KELXACSNIHFLOP-GWCFXTLKSA-N 0 1 289.404 3.848 20 0 CHADMN FC(F)(F)c1nc(CNc2ccc3c(n2)CCC3)cs1 ZINC000894761998 1122903558 /nfs/dbraw/zinc/90/35/58/1122903558.db2.gz YQIHMBPCFXMGBQ-UHFFFAOYSA-N 0 1 299.321 3.658 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC(C)CC1 ZINC000008318294 1122904749 /nfs/dbraw/zinc/90/47/49/1122904749.db2.gz QCRIXPCNYWUTAC-ZDUSSCGKSA-N 0 1 294.826 3.707 20 0 CHADMN c1cc2cc(N[C@@H]3CC[C@H]4COCC[C@H]4C3)ccc2cn1 ZINC000894808248 1122906591 /nfs/dbraw/zinc/90/65/91/1122906591.db2.gz KMXHHDUBDLCVAF-QILLFSRXSA-N 0 1 282.387 3.852 20 0 CHADMN COC(=O)[C@]1(NC[C@@H]2CCC[C@H](C)C2)CCCC(C)(C)C1 ZINC001196239190 1122914315 /nfs/dbraw/zinc/91/43/15/1122914315.db2.gz YWFAWYGNEIUDTK-DAYGRLMNSA-N 0 1 295.467 3.914 20 0 CHADMN Cc1ccc(CCCN2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1 ZINC001196274287 1122915688 /nfs/dbraw/zinc/91/56/88/1122915688.db2.gz FBPAXLOQZZGJAS-RHSMWYFYSA-N 0 1 297.389 3.672 20 0 CHADMN CCCc1cccc(C[NH2+][C@H](C(=O)[O-])c2ccsc2)c1 ZINC000426793090 1122916236 /nfs/dbraw/zinc/91/62/36/1122916236.db2.gz PATYTEFDNNZESI-HNNXBMFYSA-N 0 1 289.400 3.616 20 0 CHADMN C=Cc1cccc(NS(=O)(=O)c2ccc(C)cc2F)c1 ZINC001196383161 1122919026 /nfs/dbraw/zinc/91/90/26/1122919026.db2.gz ISZGBAMKTDWHLG-UHFFFAOYSA-N 0 1 291.347 3.578 20 0 CHADMN Cc1conc1CN1CCC[C@@H](C2CCCCC2)C1 ZINC001196409289 1122921784 /nfs/dbraw/zinc/92/17/84/1122921784.db2.gz DYMZOZWKWJDPAL-OAHLLOKOSA-N 0 1 262.397 3.775 20 0 CHADMN COc1ccc(F)c(CN(C)[C@H]2CCc3ccccc32)c1 ZINC000507092445 1122923223 /nfs/dbraw/zinc/92/32/23/1122923223.db2.gz BSMCONODFAJWED-SFHVURJKSA-N 0 1 285.362 3.954 20 0 CHADMN CCN(Cc1ccn(C)c1)Cc1ccccc1Cl ZINC000507120634 1122927297 /nfs/dbraw/zinc/92/72/97/1122927297.db2.gz LSXPNKMCGBFLEF-UHFFFAOYSA-N 0 1 262.784 3.701 20 0 CHADMN CN(Cc1c(Cl)cccc1Cl)C1CCOCC1 ZINC000507133087 1122928690 /nfs/dbraw/zinc/92/86/90/1122928690.db2.gz YMEJEWVGKANPHT-UHFFFAOYSA-N 0 1 274.191 3.604 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2c2cccc(F)c2)nc1 ZINC000507131801 1122928779 /nfs/dbraw/zinc/92/87/79/1122928779.db2.gz FKXUINRCPPLNQV-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccc(CN(C)C[C@@H]2CCC[C@H](C(F)(F)F)O2)o1 ZINC000929213443 1129087377 /nfs/dbraw/zinc/08/73/77/1129087377.db2.gz ICCADXZZAITOBA-WCQYABFASA-N 0 1 291.313 3.520 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1cc(F)c(F)cc1F ZINC000507145216 1122930049 /nfs/dbraw/zinc/93/00/49/1122930049.db2.gz SXOXBBTVKIGFMW-AWEZNQCLSA-N 0 1 257.299 3.724 20 0 CHADMN CCC1(c2nc(-c3ccn4cncc4c3)no2)CCCCC1 ZINC000519591579 1122930733 /nfs/dbraw/zinc/93/07/33/1122930733.db2.gz JQUPFACZAIGJCD-UHFFFAOYSA-N 0 1 296.374 3.996 20 0 CHADMN Cc1ccc(-c2nc(CN3CC[C@@H](C)C3)cs2)cc1 ZINC000507161736 1122932616 /nfs/dbraw/zinc/93/26/16/1122932616.db2.gz AXKDWKDSGFLLNL-CYBMUJFWSA-N 0 1 272.417 3.960 20 0 CHADMN Clc1nc2ccccc2cc1CN1C[C@H]2CC[C@@H]1C2 ZINC000048443308 1122933076 /nfs/dbraw/zinc/93/30/76/1122933076.db2.gz DLTCPZXFRARIRR-SMDDNHRTSA-N 0 1 272.779 3.873 20 0 CHADMN CO[C@H]1CC[C@H](C)N(Cc2nc3cc(C)ccc3s2)C1 ZINC001196888518 1122936946 /nfs/dbraw/zinc/93/69/46/1122936946.db2.gz OHXZYYXANGKSOI-STQMWFEESA-N 0 1 290.432 3.604 20 0 CHADMN CCC[N@@H+](Cc1c(C)nn(CC(C)C)c1OCC)C1CC1 ZINC000507224959 1122939587 /nfs/dbraw/zinc/93/95/87/1122939587.db2.gz AJOGRJJZQGEVDR-UHFFFAOYSA-N 0 1 293.455 3.621 20 0 CHADMN CCCN(Cc1c(C)nn(CC(C)C)c1OCC)C1CC1 ZINC000507224959 1122939589 /nfs/dbraw/zinc/93/95/89/1122939589.db2.gz AJOGRJJZQGEVDR-UHFFFAOYSA-N 0 1 293.455 3.621 20 0 CHADMN CCCCCC[N@H+]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001197012837 1122942307 /nfs/dbraw/zinc/94/23/07/1122942307.db2.gz IWXVCQHHZZEPPA-QGZVFWFLSA-N 0 1 277.408 3.649 20 0 CHADMN CCCCCCN1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001197012837 1122942309 /nfs/dbraw/zinc/94/23/09/1122942309.db2.gz IWXVCQHHZZEPPA-QGZVFWFLSA-N 0 1 277.408 3.649 20 0 CHADMN CC/C=C\CCN1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC001197177443 1122947525 /nfs/dbraw/zinc/94/75/25/1122947525.db2.gz QMUGNTCYNPBROT-LMVHVUTASA-N 0 1 267.413 3.539 20 0 CHADMN CC1(C)Cc2n[nH]cc2CN([C@H]2CCc3ccc(F)cc32)C1 ZINC000664867685 1122949522 /nfs/dbraw/zinc/94/95/22/1122949522.db2.gz JXCARJPBQUPOID-KRWDZBQOSA-N 0 1 299.393 3.621 20 0 CHADMN C[C@@H]1c2sccc2CCN1CCCOC(F)(F)F ZINC001197431637 1122956898 /nfs/dbraw/zinc/95/68/98/1122956898.db2.gz HKDSFOSMALDYHT-SECBINFHSA-N 0 1 279.327 3.594 20 0 CHADMN FC(F)[C@H]1CN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CCO1 ZINC001197573735 1122959284 /nfs/dbraw/zinc/95/92/84/1122959284.db2.gz NFQFBORNSOMMFM-FVQBIDKESA-N 0 1 295.373 3.536 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@@H]2c2cccc(F)c2)[nH]1 ZINC001203242589 1122965456 /nfs/dbraw/zinc/96/54/56/1122965456.db2.gz CHLLNNLBFUVBNP-MRXNPFEDSA-N 0 1 287.382 3.757 20 0 CHADMN Cc1cccc2c1CC[C@H]2N[C@H](C)c1ccncc1F ZINC000334188586 1122969132 /nfs/dbraw/zinc/96/91/32/1122969132.db2.gz HEGJFWUJGKRMOY-SJKOYZFVSA-N 0 1 270.351 3.867 20 0 CHADMN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cnc[nH]1 ZINC000334187000 1122969275 /nfs/dbraw/zinc/96/92/75/1122969275.db2.gz GPIXPCQSSAQYSH-MRVPVSSYSA-N 0 1 298.173 3.550 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)N1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001197785894 1122969268 /nfs/dbraw/zinc/96/92/68/1122969268.db2.gz LHUOVKRNNLLPSP-NEPJUHHUSA-N 0 1 289.810 3.819 20 0 CHADMN COC(=O)C[C@@H]1C[N@H+]([C@@H](C)c2ccc(Cl)cc2)C[C@H]1C ZINC001197854311 1122970599 /nfs/dbraw/zinc/97/05/99/1122970599.db2.gz PYLAKMVQAISHTO-MBNYWOFBSA-N 0 1 295.810 3.532 20 0 CHADMN FC(F)(F)[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)CCS1 ZINC001197825942 1122971732 /nfs/dbraw/zinc/97/17/32/1122971732.db2.gz HVLZADVYRSOZGN-LBPRGKRZSA-N 0 1 293.398 3.937 20 0 CHADMN CCOc1c(F)c(F)ccc1-c1cccc2cncn21 ZINC001205816583 1122974061 /nfs/dbraw/zinc/97/40/61/1122974061.db2.gz AUSPTGPTGYFNGB-UHFFFAOYSA-N 0 1 274.270 3.678 20 0 CHADMN CCC[C@@H]1CCCN1Cc1ccnc(Br)c1 ZINC001198428836 1122991330 /nfs/dbraw/zinc/99/13/30/1122991330.db2.gz JRLIGMRGEVCXIH-GFCCVEGCSA-N 0 1 283.213 3.609 20 0 CHADMN Fc1cccc(CN(Cc2cccc(F)n2)C2CCC2)c1 ZINC001197960410 1122976743 /nfs/dbraw/zinc/97/67/43/1122976743.db2.gz WOGOOIVIPLYDNT-UHFFFAOYSA-N 0 1 288.341 3.915 20 0 CHADMN CC[N@@H+](Cc1ccsc1C(=O)[O-])Cc1cccc(F)c1 ZINC000519613070 1122979146 /nfs/dbraw/zinc/97/91/46/1122979146.db2.gz WZPFNOLPGXOPIO-UHFFFAOYSA-N 0 1 293.363 3.608 20 0 CHADMN C[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccncc1F ZINC000334276229 1122980681 /nfs/dbraw/zinc/98/06/81/1122980681.db2.gz RUUXVIWIMUJLHD-HWPZZCPQSA-N 0 1 274.314 3.698 20 0 CHADMN CO[C@H](CN(Cc1ccoc1)C1CC1)c1ccccc1 ZINC001198146934 1122982555 /nfs/dbraw/zinc/98/25/55/1122982555.db2.gz JUDKUPRHSLAUFS-QGZVFWFLSA-N 0 1 271.360 3.632 20 0 CHADMN COc1cc2nc(-c3ccc(Cl)c(C)n3)[nH]c2cc1F ZINC001251804530 1122990837 /nfs/dbraw/zinc/99/08/37/1122990837.db2.gz ACKKBNSLDXBACV-UHFFFAOYSA-N 0 1 291.713 3.734 20 0 CHADMN Cc1ccc(-c2nc3ccc(Br)cc3[nH]2)nc1 ZINC000154721550 1129091670 /nfs/dbraw/zinc/09/16/70/1129091670.db2.gz HKQIHTUGNLRMFC-UHFFFAOYSA-N 0 1 288.148 3.696 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@H+]1C[C@@H](O)c1c(F)cccc1F ZINC000729475462 1122991909 /nfs/dbraw/zinc/99/19/09/1122991909.db2.gz VFKNWKGIDLGRIW-KGLIPLIRSA-N 0 1 283.362 3.509 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NC(=O)c2[nH]nc3c2CC[C@@H]3C)c1 ZINC001198461115 1122993295 /nfs/dbraw/zinc/99/32/95/1122993295.db2.gz AKJRBQULWSANHC-QWHCGFSZSA-N 0 1 297.402 3.567 20 0 CHADMN CSc1ccccc1CN[C@@H](C)c1ncccc1C ZINC001198642307 1123003514 /nfs/dbraw/zinc/00/35/14/1123003514.db2.gz YHNAKQVLVLEJPX-ZDUSSCGKSA-N 0 1 272.417 3.963 20 0 CHADMN Cc1ccc(O)c(CN[C@@H]2CCc3sc(Cl)cc32)n1 ZINC000334397113 1123005623 /nfs/dbraw/zinc/00/56/23/1123005623.db2.gz WMPYVFVEVQCFMO-SNVBAGLBSA-N 0 1 294.807 3.588 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@H]2c2ccc(OC)cc2)[nH]1 ZINC001203244176 1123011981 /nfs/dbraw/zinc/01/19/81/1123011981.db2.gz SWQVLNUGXCMJTJ-KRWDZBQOSA-N 0 1 299.418 3.626 20 0 CHADMN Cc1cc(CNCc2cccnc2)c(OC(F)F)cc1C ZINC001198970128 1123017570 /nfs/dbraw/zinc/01/75/70/1123017570.db2.gz ULLZPTUMYPPVGO-UHFFFAOYSA-N 0 1 292.329 3.590 20 0 CHADMN COc1cc(CNCc2cc3cc(C)c(C)cc3o2)ccn1 ZINC001199144007 1123021255 /nfs/dbraw/zinc/02/12/55/1123021255.db2.gz MDRXCOJFVRGPIG-UHFFFAOYSA-N 0 1 296.370 3.743 20 0 CHADMN Cc1cnc(CNCC2(c3ccccc3)CCCCC2)o1 ZINC001199207891 1123023473 /nfs/dbraw/zinc/02/34/73/1123023473.db2.gz FUSJHRAADXBGIZ-UHFFFAOYSA-N 0 1 284.403 3.975 20 0 CHADMN COc1c2ccccc2oc1CNCc1ccccc1 ZINC000353222284 1123024813 /nfs/dbraw/zinc/02/48/13/1123024813.db2.gz GDNUREHOECIJCJ-UHFFFAOYSA-N 0 1 267.328 3.731 20 0 CHADMN CCC(CC)(CC)NCc1nc([C@H](C)OCC(C)C)no1 ZINC000440731386 1123032359 /nfs/dbraw/zinc/03/23/59/1123032359.db2.gz YWRFCEADUANUOY-ZDUSSCGKSA-N 0 1 297.443 3.862 20 0 CHADMN CC[C@H](O)CN(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000440719490 1123033429 /nfs/dbraw/zinc/03/34/29/1123033429.db2.gz XZTKHYCXUUGGIU-KOLCDFICSA-N 0 1 276.207 3.757 20 0 CHADMN Cc1cccc([C@H](O)CNCc2c(F)cccc2Cl)c1 ZINC000136479110 1123034225 /nfs/dbraw/zinc/03/42/25/1123034225.db2.gz JQZNFCGWBMRHBK-MRXNPFEDSA-N 0 1 293.769 3.611 20 0 CHADMN CCCN(Cc1nc(Cc2ccccc2)no1)CC(C)C ZINC000519907295 1123035773 /nfs/dbraw/zinc/03/57/73/1123035773.db2.gz UDLLVWLQLCBJTF-UHFFFAOYSA-N 0 1 287.407 3.528 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc(C)cc(C)c2)nc1 ZINC000776009634 1123036321 /nfs/dbraw/zinc/03/63/21/1123036321.db2.gz YTGKFAMRWKLTKX-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](C)CCO[C@H]1CCCC[C@H]1C ZINC000519903609 1123037693 /nfs/dbraw/zinc/03/76/93/1123037693.db2.gz OUOYWZKRVIKFST-KFWWJZLASA-N 0 1 265.397 3.868 20 0 CHADMN C[C@H](c1ccco1)N(C)CCO[C@H]1CCCC[C@H]1C ZINC000519903609 1123037698 /nfs/dbraw/zinc/03/76/98/1123037698.db2.gz OUOYWZKRVIKFST-KFWWJZLASA-N 0 1 265.397 3.868 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2nccnc2C)cc1F ZINC000188136460 1123048385 /nfs/dbraw/zinc/04/83/85/1123048385.db2.gz LZEIVEWAMRDKBM-DGCLKSJQSA-N 0 1 273.355 3.644 20 0 CHADMN Oc1ccccc1CCNCc1c(F)cccc1Cl ZINC001199941355 1123048960 /nfs/dbraw/zinc/04/89/60/1123048960.db2.gz IIGZAFIFPFUPBQ-UHFFFAOYSA-N 0 1 279.742 3.517 20 0 CHADMN CC1(C)CN(Cc2ccc3ccccc3n2)[C@@H]2CCC[C@H]2O1 ZINC000440956762 1123049472 /nfs/dbraw/zinc/04/94/72/1123049472.db2.gz LAJJYMMCMUNERR-QZTJIDSGSA-N 0 1 296.414 3.767 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccnc2Cl)cc1 ZINC000105420947 1123052491 /nfs/dbraw/zinc/05/24/91/1123052491.db2.gz WWMZGWPNXINDNX-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN CC(C)Cn1ccnc1CN[C@@H]1c2ccccc2C[C@@H]1C ZINC000164789537 1123052691 /nfs/dbraw/zinc/05/26/91/1123052691.db2.gz BNMJSRMKTPLRMZ-KSSFIOAISA-N 0 1 283.419 3.562 20 0 CHADMN Cc1ccc(-c2nc(CN3CCCCC3)co2)cc1 ZINC000073878502 1123056299 /nfs/dbraw/zinc/05/62/99/1123056299.db2.gz CYTBPKVVVSMBBW-UHFFFAOYSA-N 0 1 256.349 3.636 20 0 CHADMN CCCN(CC)CC(=O)Nc1ccccc1C(C)(C)C ZINC000520168899 1123059439 /nfs/dbraw/zinc/05/94/39/1123059439.db2.gz GHGYSPMIMBNAJQ-UHFFFAOYSA-N 0 1 276.424 3.655 20 0 CHADMN CCCCC[C@@H](CC)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000760030377 1123061866 /nfs/dbraw/zinc/06/18/66/1123061866.db2.gz JZGYNDLONAXIRG-LLVKDONJSA-N 0 1 278.400 3.617 20 0 CHADMN CCCCC[C@@H](CC)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000760030377 1123061870 /nfs/dbraw/zinc/06/18/70/1123061870.db2.gz JZGYNDLONAXIRG-LLVKDONJSA-N 0 1 278.400 3.617 20 0 CHADMN Cc1sc(NC(=O)CN2C[C@H](C)C[C@H](C)C2)c(C)c1C ZINC000441169050 1123063985 /nfs/dbraw/zinc/06/39/85/1123063985.db2.gz BFGOUNWXGNLOSD-PHIMTYICSA-N 0 1 294.464 3.590 20 0 CHADMN CC[C@H]1CCCCN1CC(=O)Nc1sc(C)c(C)c1C ZINC000441183283 1123066948 /nfs/dbraw/zinc/06/69/48/1123066948.db2.gz LGMKOBZOBMESOV-AWEZNQCLSA-N 0 1 294.464 3.876 20 0 CHADMN c1cc2cc(CCNCc3csc(C4CC4)n3)ccc2[nH]1 ZINC000441206328 1123068410 /nfs/dbraw/zinc/06/84/10/1123068410.db2.gz VUBKYBHTXZQYGM-UHFFFAOYSA-N 0 1 297.427 3.834 20 0 CHADMN C[C@H]1c2ccc(Cl)n2CCN1CCCc1ccncc1 ZINC000794436726 1123071302 /nfs/dbraw/zinc/07/13/02/1123071302.db2.gz VQXDTZIBZPSDID-ZDUSSCGKSA-N 0 1 289.810 3.546 20 0 CHADMN CO[C@H]1CCCC[C@@H]1NCc1c(F)cccc1Cl ZINC000441283487 1123074400 /nfs/dbraw/zinc/07/44/00/1123074400.db2.gz YWGZOVWPRKQBRM-KBPBESRZSA-N 0 1 271.763 3.526 20 0 CHADMN CC[C@@H]1CCCN(Cc2nnc(-c3ccccc3)s2)C1 ZINC000155084814 1129097315 /nfs/dbraw/zinc/09/73/15/1129097315.db2.gz XESGHQPQVXRFHB-CYBMUJFWSA-N 0 1 287.432 3.827 20 0 CHADMN CCC[C@@H](C(=O)NCc1nc2cccc(C)c2[nH]1)C(C)C ZINC000155085227 1129097330 /nfs/dbraw/zinc/09/73/30/1129097330.db2.gz GDQMBCGZGBUCGZ-CYBMUJFWSA-N 0 1 287.407 3.560 20 0 CHADMN Cc1c2cc(Cl)ccc2sc1CNCc1ncc[nH]1 ZINC000441338059 1123077311 /nfs/dbraw/zinc/07/73/11/1123077311.db2.gz FBCDLGOMYVALDN-UHFFFAOYSA-N 0 1 291.807 3.876 20 0 CHADMN CO[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000441352117 1123080321 /nfs/dbraw/zinc/08/03/21/1123080321.db2.gz JWDVHWACCQKJSI-RISCZKNCSA-N 0 1 287.325 3.705 20 0 CHADMN Cc1c(Nc2ccc3nccn3c2)cnn1-c1ccccc1 ZINC001201366573 1123087982 /nfs/dbraw/zinc/08/79/82/1123087982.db2.gz DMCHYZLKXWZSNC-UHFFFAOYSA-N 0 1 289.342 3.572 20 0 CHADMN c1cc2ccc(CNc3ccc4c[nH]nc4c3)cc2[nH]1 ZINC000083456157 1123092930 /nfs/dbraw/zinc/09/29/30/1123092930.db2.gz HCALWCGZULJSGM-UHFFFAOYSA-N 0 1 262.316 3.656 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccoc2)no1 ZINC000123565769 1123100717 /nfs/dbraw/zinc/10/07/17/1123100717.db2.gz XGWCOCRSQNTSMD-CQSZACIVSA-N 0 1 289.379 3.730 20 0 CHADMN CC(C)CN1CCO[C@@](C)(c2ccc(Cl)cc2)C1 ZINC001201479008 1123114623 /nfs/dbraw/zinc/11/46/23/1123114623.db2.gz VUXJIJWHHCQDSX-OAHLLOKOSA-N 0 1 267.800 3.543 20 0 CHADMN CCC[C@@H](C)CN1CCN(C(=O)OC(C)(C)C)CC12CC2 ZINC001201539422 1123116590 /nfs/dbraw/zinc/11/65/90/1123116590.db2.gz UXADSPXGINYLLQ-CQSZACIVSA-N 0 1 296.455 3.508 20 0 CHADMN CCO[C@H](CC)c1noc(-c2cc(-c3ccccc3)n[nH]2)n1 ZINC000665031647 1123130528 /nfs/dbraw/zinc/13/05/28/1123130528.db2.gz OXWGLDSUEQMAON-CQSZACIVSA-N 0 1 298.346 3.614 20 0 CHADMN CC(C)C1CCN(Cc2cc(-c3ccco3)on2)CC1 ZINC000441455857 1123130640 /nfs/dbraw/zinc/13/06/40/1123130640.db2.gz XBPUQJCKMHENKT-UHFFFAOYSA-N 0 1 274.364 3.803 20 0 CHADMN Cc1cccc2c1[C@@H](NCc1ccn(C(C)C)n1)CC2 ZINC000925104681 1123131817 /nfs/dbraw/zinc/13/18/17/1123131817.db2.gz OGLREDAFGLEQEG-INIZCTEOSA-N 0 1 269.392 3.550 20 0 CHADMN CCCn1nccc1CN[C@H](CC)c1ccc(F)cc1 ZINC001201626559 1123133107 /nfs/dbraw/zinc/13/31/07/1123133107.db2.gz NWYRWUFCWSBQGB-MRXNPFEDSA-N 0 1 275.371 3.673 20 0 CHADMN C[C@H]1CCCC[C@H]1CNc1cnccc1-n1cccn1 ZINC001201674255 1123133434 /nfs/dbraw/zinc/13/34/34/1123133434.db2.gz AXUGJGLHYQHLDU-KBPBESRZSA-N 0 1 270.380 3.506 20 0 CHADMN COc1ccc2c(c1)CN(CCCc1ccccc1)C2 ZINC001201663952 1123137162 /nfs/dbraw/zinc/13/71/62/1123137162.db2.gz PLIMGAKSPNTIMU-UHFFFAOYSA-N 0 1 267.372 3.644 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1noc(-c2ccccc2)n1 ZINC000441478443 1123143696 /nfs/dbraw/zinc/14/36/96/1123143696.db2.gz STAPFQNWSFWGEU-KBMXLJTQSA-N 0 1 297.402 3.890 20 0 CHADMN Cc1cncc(CN2CCc3ccccc3[C@H]2C)c1 ZINC000189882039 1123144870 /nfs/dbraw/zinc/14/48/70/1123144870.db2.gz TXYNDYSJTCFJEW-CQSZACIVSA-N 0 1 252.361 3.509 20 0 CHADMN COc1ccnc(NCc2cccc3c(OC)cccc23)c1 ZINC001201813228 1123151031 /nfs/dbraw/zinc/15/10/31/1123151031.db2.gz DEVMECJUGQLLGV-UHFFFAOYSA-N 0 1 294.354 3.864 20 0 CHADMN CC(C)c1nc([C@@H](C)NCc2ccc3ccccc3c2)n[nH]1 ZINC001201850346 1123156236 /nfs/dbraw/zinc/15/62/36/1123156236.db2.gz AIZRYAAFDRUENH-CYBMUJFWSA-N 0 1 294.402 3.932 20 0 CHADMN CCC1(CC)CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000190413893 1123156892 /nfs/dbraw/zinc/15/68/92/1123156892.db2.gz RURKRTYWFNHPPM-CYBMUJFWSA-N 0 1 295.427 3.569 20 0 CHADMN C[C@@H]1CCN(Cc2nc(C3CC3)cs2)[C@H](C)C1 ZINC000425526788 1123161810 /nfs/dbraw/zinc/16/18/10/1123161810.db2.gz XVUOPKZWGWJDQB-GHMZBOCLSA-N 0 1 250.411 3.641 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H](C)c3ccccc3F)cc2[nH]1 ZINC000343299373 1123164569 /nfs/dbraw/zinc/16/45/69/1123164569.db2.gz GRNQKQLLBTVEGO-JTQLQIEISA-N 0 1 297.333 3.753 20 0 CHADMN Cc1nc(C2(NC[C@H]3C(C)=CCC[C@@H]3C)CCCC2)no1 ZINC000191104327 1123166519 /nfs/dbraw/zinc/16/65/19/1123166519.db2.gz CJYUINIWZCOFCC-ZFWWWQNUSA-N 0 1 289.423 3.729 20 0 CHADMN CC(C)(C)CCN(Cc1cccnc1)Cc1ccccn1 ZINC001202078500 1123173907 /nfs/dbraw/zinc/17/39/07/1123173907.db2.gz SJXJLZMPILEKHS-UHFFFAOYSA-N 0 1 283.419 3.915 20 0 CHADMN Cc1ncoc1CN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000895082872 1123175682 /nfs/dbraw/zinc/17/56/82/1123175682.db2.gz HWJYCSWZBLHDLC-KRWDZBQOSA-N 0 1 280.371 3.876 20 0 CHADMN Cc1ccccc1Cc1nnc(CN[C@@H]2CCCC2(C)C)o1 ZINC000191855493 1123181714 /nfs/dbraw/zinc/18/17/14/1123181714.db2.gz ANZWTVWTJNDZEV-OAHLLOKOSA-N 0 1 299.418 3.637 20 0 CHADMN Cc1ccccc1NC(=O)Nc1ccc(F)c(F)c1O ZINC001202186439 1123183819 /nfs/dbraw/zinc/18/38/19/1123183819.db2.gz GBIZKXMFMCYYNG-UHFFFAOYSA-N 0 1 278.258 3.623 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1Cc1ccc(Br)s1 ZINC000307359981 1123184909 /nfs/dbraw/zinc/18/49/09/1123184909.db2.gz DQHKAZFOIZJCJW-DTWKUNHWSA-N 0 1 274.227 3.741 20 0 CHADMN CC(C)c1nc(CNc2cncc(F)c2)c2ccccn21 ZINC001202194811 1123185429 /nfs/dbraw/zinc/18/54/29/1123185429.db2.gz WJCFUTBHFUEWPI-UHFFFAOYSA-N 0 1 284.338 3.604 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc(C(C)(C)C)no1)C1CCSCC1 ZINC000192879802 1123192582 /nfs/dbraw/zinc/19/25/82/1123192582.db2.gz NXDLQMQQGCIMNL-MNOVXSKESA-N 0 1 297.468 3.549 20 0 CHADMN FC(F)(F)c1nc(CNc2ccc3nc[nH]c3c2)cs1 ZINC001202350113 1123197843 /nfs/dbraw/zinc/19/78/43/1123197843.db2.gz QMAFEHACHBENCM-UHFFFAOYSA-N 0 1 298.293 3.650 20 0 CHADMN Cc1cccc(NC(=O)Nc2cc(O)c(F)c(F)c2)c1 ZINC001202314825 1123197958 /nfs/dbraw/zinc/19/79/58/1123197958.db2.gz NEKXPLZMBLMGJY-UHFFFAOYSA-N 0 1 278.258 3.623 20 0 CHADMN CN(C)Cc1ccc(-c2ccc3c(c2)CCOC3)cc1F ZINC000665144437 1123200175 /nfs/dbraw/zinc/20/01/75/1123200175.db2.gz KPDWHYXCQZVCGR-UHFFFAOYSA-N 0 1 285.362 3.627 20 0 CHADMN FC(F)(F)CCCN1CC[C@H]1COCc1ccccc1 ZINC001202424851 1123206086 /nfs/dbraw/zinc/20/60/86/1123206086.db2.gz OPAARYFDYNXGAX-AWEZNQCLSA-N 0 1 287.325 3.620 20 0 CHADMN COCC[C@@H](NCc1sc(C)nc1C)c1ccc(C)o1 ZINC000350310974 1123206782 /nfs/dbraw/zinc/20/67/82/1123206782.db2.gz DBAMSSKIDXJDGK-CYBMUJFWSA-N 0 1 294.420 3.529 20 0 CHADMN O=C(c1ccccc1)[C@@H]1CC[N@H+](CCCC(F)(F)F)C1 ZINC001202441388 1123208620 /nfs/dbraw/zinc/20/86/20/1123208620.db2.gz CPMPHJWUBIHGQC-CYBMUJFWSA-N 0 1 285.309 3.534 20 0 CHADMN Fc1ccc(C2=CCN(Cc3ccoc3)CC2)cc1 ZINC000106991572 1123215629 /nfs/dbraw/zinc/21/56/29/1123215629.db2.gz CUMHWUMJEJKNMH-UHFFFAOYSA-N 0 1 257.308 3.708 20 0 CHADMN CCCC[C@H](O)CN[C@@H](CC)c1c(F)cccc1F ZINC001252122001 1123222305 /nfs/dbraw/zinc/22/23/05/1123222305.db2.gz JMNLXFHJPQZVRI-FZMZJTMJSA-N 0 1 271.351 3.557 20 0 CHADMN CC[C@H]1C[C@H](CN2CCc3ccc(F)c(F)c3C2)CCO1 ZINC000507815253 1123224395 /nfs/dbraw/zinc/22/43/95/1123224395.db2.gz WCXFMTSAEDCNGI-OCCSQVGLSA-N 0 1 295.373 3.528 20 0 CHADMN COCc1ccc(-c2ccc(F)c(CN(C)C)c2)cc1F ZINC000665199372 1123227580 /nfs/dbraw/zinc/22/75/80/1123227580.db2.gz FPLJKAPFAWSVJG-UHFFFAOYSA-N 0 1 291.341 3.840 20 0 CHADMN COc1ccc(-c2ccc(F)c(CN(C)C)c2)cc1 ZINC000665199418 1123227687 /nfs/dbraw/zinc/22/76/87/1123227687.db2.gz HGVDUABBGPAKTD-UHFFFAOYSA-N 0 1 259.324 3.563 20 0 CHADMN COc1ccc(C)cc1-c1nc2cccc(C)c2[nH]1 ZINC000070262536 1123231181 /nfs/dbraw/zinc/23/11/81/1123231181.db2.gz JJVSZOMFKGFSBU-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN Cc1nc(C(C)C)ccc1CN(C)C[C@H]1CCCCO1 ZINC000338927161 1123231883 /nfs/dbraw/zinc/23/18/83/1123231883.db2.gz VPAOYDYCUAVGNV-MRXNPFEDSA-N 0 1 276.424 3.514 20 0 CHADMN CCCN(Cc1nn(-c2ccccc2)c2c1CCC2)C1CC1 ZINC000507847474 1123239695 /nfs/dbraw/zinc/23/96/95/1123239695.db2.gz NPMPTTDSBDLMIF-UHFFFAOYSA-N 0 1 295.430 3.735 20 0 CHADMN CC(C)c1nc([C@H](C)[N@H+]2CCC[C@]3(CCOC3)C2)cs1 ZINC000334530540 1123243499 /nfs/dbraw/zinc/24/34/99/1123243499.db2.gz LMXZSHFIXVDLQF-BBRMVZONSA-N 0 1 294.464 3.830 20 0 CHADMN CC(C)c1nc([C@H](C)N2CCC[C@]3(CCOC3)C2)cs1 ZINC000334530540 1123243502 /nfs/dbraw/zinc/24/35/02/1123243502.db2.gz LMXZSHFIXVDLQF-BBRMVZONSA-N 0 1 294.464 3.830 20 0 CHADMN Cc1nnsc1CN[C@@H]1CC[C@H](C)c2ccsc21 ZINC000334530237 1123243860 /nfs/dbraw/zinc/24/38/60/1123243860.db2.gz IFBCDLXDBMZPDR-GZMMTYOYSA-N 0 1 279.434 3.636 20 0 CHADMN CC(F)(F)C(C)(C)CNCc1occc1Br ZINC000696622806 1123245517 /nfs/dbraw/zinc/24/55/17/1123245517.db2.gz WKFIHMGFGRKGOG-UHFFFAOYSA-N 0 1 296.155 3.813 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H](C)c2c(C)cccc2C)cn1 ZINC000427858945 1123256769 /nfs/dbraw/zinc/25/67/69/1123256769.db2.gz UYVCJUYZFSVGGF-GJZGRUSLSA-N 0 1 269.392 3.814 20 0 CHADMN Cc1ccc(-c2ncc(C[N@@H+]3CC=C(C)CC3)s2)o1 ZINC000353844124 1123257085 /nfs/dbraw/zinc/25/70/85/1123257085.db2.gz JVJKTGLFHAGKGZ-UHFFFAOYSA-N 0 1 274.389 3.864 20 0 CHADMN Cc1ccc(-c2ncc(CN3CC=C(C)CC3)s2)o1 ZINC000353844124 1123257087 /nfs/dbraw/zinc/25/70/87/1123257087.db2.gz JVJKTGLFHAGKGZ-UHFFFAOYSA-N 0 1 274.389 3.864 20 0 CHADMN Cc1ccc(CN2CCCCC[C@H]2c2ccncc2)nc1 ZINC000156103798 1129109263 /nfs/dbraw/zinc/10/92/63/1129109263.db2.gz KLJVLHMSNKFBPP-SFHVURJKSA-N 0 1 281.403 3.902 20 0 CHADMN O[C@H]1C[C@@H](NCc2cccc(Cl)c2)c2ccccc21 ZINC000850369430 1123258161 /nfs/dbraw/zinc/25/81/61/1123258161.db2.gz JWVXRXOXRBMIIZ-CVEARBPZSA-N 0 1 273.763 3.608 20 0 CHADMN CC(C)Oc1cccc(CN[C@@H]2C[C@@H](O)c3ccccc32)c1 ZINC000850371475 1123258424 /nfs/dbraw/zinc/25/84/24/1123258424.db2.gz KCMCMINISWCKQP-RTBURBONSA-N 0 1 297.398 3.742 20 0 CHADMN O[C@@H]1C[C@@H](NCc2ccc(Cl)c(F)c2)c2ccccc21 ZINC000850371384 1123258435 /nfs/dbraw/zinc/25/84/35/1123258435.db2.gz IUYCDAHNSAQAND-HZPDHXFCSA-N 0 1 291.753 3.747 20 0 CHADMN Cc1ccc(CN[C@@H]2C[C@H](O)c3ccccc32)cc1Cl ZINC000850373942 1123259277 /nfs/dbraw/zinc/25/92/77/1123259277.db2.gz JYVKGDRNUHEUIO-SJORKVTESA-N 0 1 287.790 3.916 20 0 CHADMN CC(C)c1ncc(CN[C@H]2C[C@H](O)c3ccccc32)s1 ZINC000850372841 1123259411 /nfs/dbraw/zinc/25/94/11/1123259411.db2.gz ZZBFTNZTCXEAJO-GJZGRUSLSA-N 0 1 288.416 3.535 20 0 CHADMN O[C@H]1C[C@H](NCc2cc(Cl)cs2)c2ccccc21 ZINC000850376048 1123260630 /nfs/dbraw/zinc/26/06/30/1123260630.db2.gz WFGLCONEIWGMPK-KBPBESRZSA-N 0 1 279.792 3.670 20 0 CHADMN Cc1ccc([C@@H](C)NC2(C(=O)Nc3ccccc3)CC2)cc1 ZINC000427968422 1123265540 /nfs/dbraw/zinc/26/55/40/1123265540.db2.gz FTLZIAQVFJWRAQ-OAHLLOKOSA-N 0 1 294.398 3.817 20 0 CHADMN Cc1ccc(CSc2nc(-c3ccccn3)n[nH]2)cc1C ZINC000428086755 1123272296 /nfs/dbraw/zinc/27/22/96/1123272296.db2.gz BSMHPHUURPWQHT-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN CCCN(Cc1cc(OC)ccc1F)C[C@@H]1CCCCO1 ZINC000508250838 1123272362 /nfs/dbraw/zinc/27/23/62/1123272362.db2.gz UUROGVQAMMVRPT-INIZCTEOSA-N 0 1 295.398 3.615 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc3c(c2)CCCO3)nc1C ZINC000850474615 1123272405 /nfs/dbraw/zinc/27/24/05/1123272405.db2.gz PJUGYKHCHAMCSP-OAHLLOKOSA-N 0 1 296.414 3.874 20 0 CHADMN C[C@@H](N[C@@H](C)CSC(C)(C)C)c1cscn1 ZINC000850511511 1123278029 /nfs/dbraw/zinc/27/80/29/1123278029.db2.gz GWHLJESBTOFMJB-VHSXEESVSA-N 0 1 258.456 3.714 20 0 CHADMN Cc1cc(CN(Cc2ccccc2)CC(C)(C)C)nn1C ZINC000487410418 1123278687 /nfs/dbraw/zinc/27/86/87/1123278687.db2.gz IJANNJLRRISKRT-UHFFFAOYSA-N 0 1 285.435 3.777 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CC3(C)C)n[nH]2)cc1C ZINC000428203615 1123279702 /nfs/dbraw/zinc/27/97/02/1123279702.db2.gz XNLSIJVVFMPIBY-MRXNPFEDSA-N 0 1 297.402 3.564 20 0 CHADMN Oc1ccc2c(c1)[C@H](N[C@H]1C[C@H](O)c3ccccc31)CCC2 ZINC000850524237 1123280956 /nfs/dbraw/zinc/28/09/56/1123280956.db2.gz BAOOKEGTWSJBIX-QYZOEREBSA-N 0 1 295.382 3.538 20 0 CHADMN Oc1ccc2c(c1)[C@H](N[C@@H]1C[C@@H](O)c3ccccc31)CCC2 ZINC000850524234 1123281233 /nfs/dbraw/zinc/28/12/33/1123281233.db2.gz BAOOKEGTWSJBIX-GUDVDZBRSA-N 0 1 295.382 3.538 20 0 CHADMN CCO[C@H]1C[C@@H](N(C)Cc2oc(C(C)C)nc2C)C1(C)C ZINC000428216027 1123281756 /nfs/dbraw/zinc/28/17/56/1123281756.db2.gz DLAUKBPOPIXOLN-CABCVRRESA-N 0 1 294.439 3.742 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2C[C@H](O)c3ccccc32)cs1 ZINC000850526259 1123281944 /nfs/dbraw/zinc/28/19/44/1123281944.db2.gz OOGQNUQSASSJQT-UVBJJODRSA-N 0 1 273.401 3.886 20 0 CHADMN Cc1c([C@H](C)N[C@@H]2C[C@H](O)c3ccccc32)cnn1C(C)C ZINC000850527942 1123283355 /nfs/dbraw/zinc/28/33/55/1123283355.db2.gz IFZZXABJEJEUST-RZAIGCCYSA-N 0 1 299.418 3.601 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000850529250 1123284042 /nfs/dbraw/zinc/28/40/42/1123284042.db2.gz PAFPFFBUPHYBPQ-MORSLUCNSA-N 0 1 297.398 3.833 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@H]1C[C@H](O)c2ccccc21 ZINC000850529249 1123284057 /nfs/dbraw/zinc/28/40/57/1123284057.db2.gz PAFPFFBUPHYBPQ-KKXDTOCCSA-N 0 1 297.398 3.833 20 0 CHADMN Fc1ccc(CN[C@H]2CCSc3ccccc32)nc1 ZINC000334661804 1123288016 /nfs/dbraw/zinc/28/80/16/1123288016.db2.gz WKMJGCBGRWCQQH-AWEZNQCLSA-N 0 1 274.364 3.547 20 0 CHADMN CC(C)c1nc(CN(C)[C@H](c2ccccc2)C(C)C)n[nH]1 ZINC000428246213 1123307646 /nfs/dbraw/zinc/30/76/46/1123307646.db2.gz NPISNQQALWFISS-INIZCTEOSA-N 0 1 286.423 3.757 20 0 CHADMN COC[C@H](N[C@H](C)c1c[nH]c2ncccc12)c1ccc(C)o1 ZINC000156443821 1129113055 /nfs/dbraw/zinc/11/30/55/1129113055.db2.gz APTOQUPBYRHRPA-DOMZBBRYSA-N 0 1 299.374 3.503 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000335164292 1123317684 /nfs/dbraw/zinc/31/76/84/1123317684.db2.gz YYAOQPXDNVVUCA-QWRGUYRKSA-N 0 1 291.782 3.620 20 0 CHADMN CCCCc1noc([C@@H](C)N2CC[C@@H](C3CCC3)C2)n1 ZINC000665286106 1123319934 /nfs/dbraw/zinc/31/99/34/1123319934.db2.gz FGEDTKJDQXZGHT-TZMCWYRMSA-N 0 1 277.412 3.595 20 0 CHADMN Cc1cc(-c2nnc(CN3CC(C)(C)C[C@@H]3C)o2)c(C)o1 ZINC000335189119 1123321100 /nfs/dbraw/zinc/32/11/00/1123321100.db2.gz JTBGJDMIZDNWJA-JTQLQIEISA-N 0 1 289.379 3.567 20 0 CHADMN Cc1nc(CN2CCCCC[C@H]2/C=C\c2ccccc2)n[nH]1 ZINC000428253395 1123327297 /nfs/dbraw/zinc/32/72/97/1123327297.db2.gz QJBBLKOQSCTFFM-CPFIRTDXSA-N 0 1 296.418 3.571 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N1CC[C@H](C2CCC2)C1 ZINC000665290345 1123333480 /nfs/dbraw/zinc/33/34/80/1123333480.db2.gz UYHHUUYJJQSNRN-CJNGLKHVSA-N 0 1 297.402 3.920 20 0 CHADMN CC(=O)Nc1ccccc1CN1CC[C@H]1c1ccccc1 ZINC000442720766 1123335809 /nfs/dbraw/zinc/33/58/09/1123335809.db2.gz LRUXUISGPPRQNS-SFHVURJKSA-N 0 1 280.371 3.592 20 0 CHADMN O=C(Nc1ccc2ccoc2c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000442936484 1123350327 /nfs/dbraw/zinc/35/03/27/1123350327.db2.gz SYIZDBYAQSGMER-INIZCTEOSA-N 0 1 298.386 3.778 20 0 CHADMN COc1ccc(C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)cc1C ZINC000442958128 1123350497 /nfs/dbraw/zinc/35/04/97/1123350497.db2.gz VRDYCWDFUXDFFT-NVXWUHKLSA-N 0 1 289.419 3.536 20 0 CHADMN Cc1ccc(CN2CC(C)(C)O[C@@H]3CCC[C@H]32)cc1F ZINC000442965922 1123351115 /nfs/dbraw/zinc/35/11/15/1123351115.db2.gz LYPFBBRVSTZFJC-HZPDHXFCSA-N 0 1 277.383 3.666 20 0 CHADMN CCCOc1ccc(CN[C@@H](C)c2cccc(F)c2)cn1 ZINC000156699084 1129115970 /nfs/dbraw/zinc/11/59/70/1129115970.db2.gz OSMRMSZPKPSZPK-ZDUSSCGKSA-N 0 1 288.366 3.860 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc(C(C)C)nc2)c(C)c1 ZINC000443067193 1123353904 /nfs/dbraw/zinc/35/39/04/1123353904.db2.gz SWALADODFCNNGQ-UHFFFAOYSA-N 0 1 283.419 3.849 20 0 CHADMN C[C@H](N[C@@H]1CCCc2ccccc21)c1ccncc1F ZINC000335316206 1123354907 /nfs/dbraw/zinc/35/49/07/1123354907.db2.gz SOUGRYHSGLLYJV-YVEFUNNKSA-N 0 1 270.351 3.949 20 0 CHADMN C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)CC1CCCCC1 ZINC000348075418 1123356899 /nfs/dbraw/zinc/35/68/99/1123356899.db2.gz MLZQOXLWCUDRKI-ZDUSSCGKSA-N 0 1 299.418 3.646 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@H](C2CC2)C1 ZINC000367026766 1123361358 /nfs/dbraw/zinc/36/13/58/1123361358.db2.gz CLKZRSGPXJLCBI-YPMHNXCESA-N 0 1 262.397 3.765 20 0 CHADMN CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](C)Cc1cscn1 ZINC000191057949 1123361931 /nfs/dbraw/zinc/36/19/31/1123361931.db2.gz GPKYRZVQQTWMRD-TZMCWYRMSA-N 0 1 250.411 3.567 20 0 CHADMN CC1=CCC[C@@H](C)[C@@H]1CN(C)Cc1cscn1 ZINC000191057949 1123361936 /nfs/dbraw/zinc/36/19/36/1123361936.db2.gz GPKYRZVQQTWMRD-TZMCWYRMSA-N 0 1 250.411 3.567 20 0 CHADMN C[C@H](c1noc([C@H](C)N2[C@H](C)CC[C@@H]2C)n1)C1CC1 ZINC000443229119 1123365478 /nfs/dbraw/zinc/36/54/78/1123365478.db2.gz XINATLWHNGBWGG-USZNOCQGSA-N 0 1 263.385 3.517 20 0 CHADMN CCCCCC[N@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000851707686 1123372489 /nfs/dbraw/zinc/37/24/89/1123372489.db2.gz IJHCNMGUEMOORF-HOTGVXAUSA-N 0 1 281.440 3.922 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)Cc1cccc(F)n1 ZINC000851710015 1123373095 /nfs/dbraw/zinc/37/30/95/1123373095.db2.gz FXQMNHXJSGTNCB-LLVKDONJSA-N 0 1 262.303 3.553 20 0 CHADMN c1nonc1CN1CCC[C@H]1c1cccc2ccccc21 ZINC000851734887 1123376235 /nfs/dbraw/zinc/37/62/35/1123376235.db2.gz ADTXXCBPDHUFFZ-KRWDZBQOSA-N 0 1 279.343 3.560 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)OCO2)c1csc(Cl)c1 ZINC000191108451 1123378830 /nfs/dbraw/zinc/37/88/30/1123378830.db2.gz VQPQZFCHCKBHQJ-SECBINFHSA-N 0 1 295.791 3.981 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CCN2CCOC(F)F)o1 ZINC000851793028 1123380250 /nfs/dbraw/zinc/38/02/50/1123380250.db2.gz RTRJUQYXVIZVKE-ZYHUDNBSSA-N 0 1 273.323 3.600 20 0 CHADMN c1nc2cc(-c3noc(C4CCC=CCC4)n3)ccc2[nH]1 ZINC000634566561 1129118267 /nfs/dbraw/zinc/11/82/67/1129118267.db2.gz GSRQPCDIIKZCPC-UHFFFAOYSA-N 0 1 280.331 3.827 20 0 CHADMN CCc1nocc1CN[C@@](C)(CC)c1ccccc1 ZINC000851900250 1123387951 /nfs/dbraw/zinc/38/79/51/1123387951.db2.gz BNSGJZDZZNPODJ-INIZCTEOSA-N 0 1 258.365 3.652 20 0 CHADMN CCC[C@H](NCc1cccnc1N(C)C)c1ccsc1 ZINC000191202507 1123397524 /nfs/dbraw/zinc/39/75/24/1123397524.db2.gz NYQBVBHBGUKAQF-HNNXBMFYSA-N 0 1 289.448 3.840 20 0 CHADMN CC1(C)CCCC[C@@H]1C[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000852205323 1123399850 /nfs/dbraw/zinc/39/98/50/1123399850.db2.gz XYLZRMQETYPPQE-CYBMUJFWSA-N 0 1 293.842 3.705 20 0 CHADMN CC1(C)CCCC[C@@H]1CN1CCc2cc(Cl)nnc2C1 ZINC000852205323 1123399853 /nfs/dbraw/zinc/39/98/53/1123399853.db2.gz XYLZRMQETYPPQE-CYBMUJFWSA-N 0 1 293.842 3.705 20 0 CHADMN Cc1ccccc1C1(NCc2cccc(F)n2)CCC1 ZINC000852210181 1123400439 /nfs/dbraw/zinc/40/04/39/1123400439.db2.gz XZZHMYSRKWXCHG-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN C[C@]1(c2cccc(F)c2)CCN(Cc2cccc(F)n2)C1 ZINC000852208828 1123400671 /nfs/dbraw/zinc/40/06/71/1123400671.db2.gz JHQDTKIFPFKRMU-KRWDZBQOSA-N 0 1 288.341 3.523 20 0 CHADMN Clc1cnc(CN2CCCC3(CCCC3)CC2)cn1 ZINC000852354551 1123403317 /nfs/dbraw/zinc/40/33/17/1123403317.db2.gz HHKNGQBPIYVHGB-UHFFFAOYSA-N 0 1 279.815 3.676 20 0 CHADMN COc1cncc(CN[C@@H](C)c2ccc(Cl)cc2)c1C ZINC000631032739 1123403815 /nfs/dbraw/zinc/40/38/15/1123403815.db2.gz JLYCUQWDLNLFMF-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@@H]1COC2(CCCC2)CN1CC[C@H]1CC1(Cl)Cl ZINC000852635226 1123410815 /nfs/dbraw/zinc/41/08/15/1123410815.db2.gz DQXYYEMVYMPXJX-NEPJUHHUSA-N 0 1 292.250 3.604 20 0 CHADMN Clc1cccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)n1 ZINC000852598235 1123410898 /nfs/dbraw/zinc/41/08/98/1123410898.db2.gz VJJWTTYLJGWJTM-UKRRQHHQSA-N 0 1 294.826 3.516 20 0 CHADMN Cc1c(Cl)cccc1-n1[nH]c(C2CCC2)cc1=O ZINC000634592626 1129120102 /nfs/dbraw/zinc/12/01/02/1129120102.db2.gz PGYCOUOQMQTCJJ-UHFFFAOYSA-N 0 1 262.740 3.541 20 0 CHADMN C[C@H](CSc1cn[nH]n1)c1ccc(C(F)(F)F)cc1 ZINC000443487680 1123415971 /nfs/dbraw/zinc/41/59/71/1123415971.db2.gz RTDBOONWPXDPIP-MRVPVSSYSA-N 0 1 287.310 3.719 20 0 CHADMN C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CC2CC1(C)C2 ZINC000852785733 1123416038 /nfs/dbraw/zinc/41/60/38/1123416038.db2.gz GHQSDSUVVPLLAZ-VFPJAPOESA-N 0 1 294.398 3.651 20 0 CHADMN CCCCCC[C@@H](CC)CN(C)C(=O)c1coc(CN)c1 ZINC000852870429 1123416757 /nfs/dbraw/zinc/41/67/57/1123416757.db2.gz OEBFTJPQDORYPU-CQSZACIVSA-N 0 1 294.439 3.807 20 0 CHADMN CCN(Cc1ccncc1)Cc1cc(C)c(F)c(F)c1 ZINC001143591986 1123417239 /nfs/dbraw/zinc/41/72/39/1123417239.db2.gz NXLRKGFRAPNKHK-UHFFFAOYSA-N 0 1 276.330 3.690 20 0 CHADMN CCn1nccc1CNCc1ccc(SC(F)F)cc1 ZINC000853093167 1123423993 /nfs/dbraw/zinc/42/39/93/1123423993.db2.gz AYDKHSLWCUXJGY-UHFFFAOYSA-N 0 1 297.374 3.508 20 0 CHADMN CC(C)n1cc(CN[C@H](C)c2ccc3c(c2)CCCO3)cn1 ZINC000853094522 1123424065 /nfs/dbraw/zinc/42/40/65/1123424065.db2.gz FAKJAWWWELUPRL-CQSZACIVSA-N 0 1 299.418 3.640 20 0 CHADMN CC1(C)C[C@@]1(NCc1cnn2ccccc12)c1ccccc1 ZINC000853091215 1123424102 /nfs/dbraw/zinc/42/41/02/1123424102.db2.gz ASLJBGJNMNZUCI-LJQANCHMSA-N 0 1 291.398 3.749 20 0 CHADMN CCCC1=NN(c2cccc(C(F)(F)F)n2)C(=O)[C@@H]1CC ZINC000634612374 1129120814 /nfs/dbraw/zinc/12/08/14/1129120814.db2.gz XEQULZGPHNLPLH-SECBINFHSA-N 0 1 299.296 3.629 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H](C)c1ccc2c(c1)CCCO2 ZINC000853240086 1123428913 /nfs/dbraw/zinc/42/89/13/1123428913.db2.gz FVVWSJAVDDDHOW-OCCSQVGLSA-N 0 1 297.402 3.522 20 0 CHADMN Cc1cccc(Cl)c1-n1[nH]c(C2(C)CC2)cc1=O ZINC000634608671 1129121065 /nfs/dbraw/zinc/12/10/65/1129121065.db2.gz JHXFVCHWYFHGNL-UHFFFAOYSA-N 0 1 262.740 3.541 20 0 CHADMN CC[C@@H](C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1ccccc1 ZINC000665350394 1123433416 /nfs/dbraw/zinc/43/34/16/1123433416.db2.gz QGDKRCJLYAOUCQ-AWEZNQCLSA-N 0 1 277.408 3.613 20 0 CHADMN CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1nc(C)sc1C ZINC000443581476 1123437064 /nfs/dbraw/zinc/43/70/64/1123437064.db2.gz MLZAAZAUXMNPOV-LSDHHAIUSA-N 0 1 296.480 3.785 20 0 CHADMN CCc1ccc([C@H](NCc2ccnc(OC)n2)C(C)C)cc1 ZINC000395116214 1123437133 /nfs/dbraw/zinc/43/71/33/1123437133.db2.gz GTDQQLBIBPJMOA-QGZVFWFLSA-N 0 1 299.418 3.535 20 0 CHADMN CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1nc(C)sc1C ZINC000443581474 1123437437 /nfs/dbraw/zinc/43/74/37/1123437437.db2.gz MLZAAZAUXMNPOV-HUUCEWRRSA-N 0 1 296.480 3.785 20 0 CHADMN Oc1ccc(F)c(CNCCc2ccc(Cl)cc2)c1F ZINC000509620466 1123438917 /nfs/dbraw/zinc/43/89/17/1123438917.db2.gz JJUNOIIJNVDZFB-UHFFFAOYSA-N 0 1 297.732 3.656 20 0 CHADMN Fc1cccc2c1OCC[C@H]2NCc1ccsc1 ZINC000335834500 1123441026 /nfs/dbraw/zinc/44/10/26/1123441026.db2.gz CWUKAKFOYDBJEC-CYBMUJFWSA-N 0 1 263.337 3.501 20 0 CHADMN CCN(Cc1ccn(-c2c(F)cccc2F)n1)C1CCC1 ZINC000443612260 1123445063 /nfs/dbraw/zinc/44/50/63/1123445063.db2.gz FDWKRTBOMPFUIS-UHFFFAOYSA-N 0 1 291.345 3.525 20 0 CHADMN C[C@@H]1CC[C@@H]2C(=O)N(Cc3c(Cl)cccc3Cl)N=C12 ZINC000634629938 1129122619 /nfs/dbraw/zinc/12/26/19/1129122619.db2.gz HVZFPCQPHSRJJN-BDAKNGLRSA-N 0 1 297.185 3.738 20 0 CHADMN C[C@H](Oc1ccc2nc[nH]c2c1)c1cccc(F)c1 ZINC001226928609 1123449496 /nfs/dbraw/zinc/44/94/96/1123449496.db2.gz NYWYCLDMZIJQDG-JTQLQIEISA-N 0 1 256.280 3.842 20 0 CHADMN C[C@@H]1CCc2c(=O)n(Cc3c(Cl)cccc3Cl)[nH]c21 ZINC000634629938 1129122622 /nfs/dbraw/zinc/12/26/22/1129122622.db2.gz HVZFPCQPHSRJJN-BDAKNGLRSA-N 0 1 297.185 3.738 20 0 CHADMN Cc1cnc(C2CCN(Cc3ccc(C)cn3)CC2)s1 ZINC000335863514 1123451529 /nfs/dbraw/zinc/45/15/29/1123451529.db2.gz YOJDWNDTKXGFBM-UHFFFAOYSA-N 0 1 287.432 3.535 20 0 CHADMN c1coc(C2CCN(Cc3ccnn3C3CCC3)CC2)c1 ZINC000895320613 1123454087 /nfs/dbraw/zinc/45/40/87/1123454087.db2.gz NWXJHQJJYUHRMN-UHFFFAOYSA-N 0 1 285.391 3.581 20 0 CHADMN CC[C@H](C)CCNCc1csc(C(F)(F)F)n1 ZINC000895333225 1123458213 /nfs/dbraw/zinc/45/82/13/1123458213.db2.gz ANRKSAULSPMIMZ-QMMMGPOBSA-N 0 1 266.332 3.688 20 0 CHADMN CC(C)OCCCN1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000111695003 1123460730 /nfs/dbraw/zinc/46/07/30/1123460730.db2.gz GYIRSQSNWOMTKA-RYRKJORJSA-N 0 1 291.435 3.652 20 0 CHADMN COc1cc([C@H](C)NCc2ccoc2)ccc1OC(C)C ZINC000727465764 1123464577 /nfs/dbraw/zinc/46/45/77/1123464577.db2.gz RRQISGKOOOFBRA-ZDUSSCGKSA-N 0 1 289.375 3.926 20 0 CHADMN Cc1cccc(-c2noc([C@@H]3C[C@H](C)CCN3)n2)c1Cl ZINC001211880332 1123465403 /nfs/dbraw/zinc/46/54/03/1123465403.db2.gz FUFTUNZYZPOMQS-SKDRFNHKSA-N 0 1 291.782 3.759 20 0 CHADMN CC(C)(C)OC1CC(N2CC(C)(C)[C@H]2c2ccncc2)C1 ZINC000854040138 1123466980 /nfs/dbraw/zinc/46/69/80/1123466980.db2.gz PPRHYCKITBUGSB-UYSNPLJNSA-N 0 1 288.435 3.811 20 0 CHADMN Fc1ccc(-n2nccc2CN2CCC[C@H]3CCC[C@H]32)cc1 ZINC000474144706 1123469618 /nfs/dbraw/zinc/46/96/18/1123469618.db2.gz CIKZMNLNNDVEIQ-RDTXWAMCSA-N 0 1 299.393 3.776 20 0 CHADMN CS[C@@H](C)C(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000111989343 1123472878 /nfs/dbraw/zinc/47/28/78/1123472878.db2.gz REHBXGPEQCKXBY-YUMQZZPRSA-N 0 1 298.795 3.572 20 0 CHADMN CC[C@H](C)N(C)Cc1cc(Br)cc(F)c1F ZINC001141797113 1123475124 /nfs/dbraw/zinc/47/51/24/1123475124.db2.gz LFYIOOMRQYUXMK-QMMMGPOBSA-N 0 1 292.167 3.958 20 0 CHADMN CC[C@H](C)CN(C)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000474156709 1123475145 /nfs/dbraw/zinc/47/51/45/1123475145.db2.gz ICMYZDBVQPMXLP-LBPRGKRZSA-N 0 1 299.418 3.812 20 0 CHADMN CCSC1(CNCc2csc(C(F)(F)F)n2)CC1 ZINC000895434258 1123478739 /nfs/dbraw/zinc/47/87/39/1123478739.db2.gz UMYKSHJQOUAQHU-UHFFFAOYSA-N 0 1 296.383 3.537 20 0 CHADMN C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C1CCCCC1 ZINC000052343677 1123480856 /nfs/dbraw/zinc/48/08/56/1123480856.db2.gz WAYIYSYWVFANLK-SNVBAGLBSA-N 0 1 281.783 3.744 20 0 CHADMN CCCc1nc(C)c(CN2CCC[C@H]2c2ccncc2)o1 ZINC000428289971 1123482456 /nfs/dbraw/zinc/48/24/56/1123482456.db2.gz VUKJHENLSVNKMJ-HNNXBMFYSA-N 0 1 285.391 3.668 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2NCc1nccn1C1CC1 ZINC000895463443 1123483507 /nfs/dbraw/zinc/48/35/07/1123483507.db2.gz UDDLCXIOSMUFKX-KRWDZBQOSA-N 0 1 281.403 3.694 20 0 CHADMN C[C@@H](NC(=O)/C=C\[C@@]1(C)CC[C@@H](C)C1(C)C)c1ncc[nH]1 ZINC000854594136 1123489804 /nfs/dbraw/zinc/48/98/04/1123489804.db2.gz FHMSNDMNYPIHPJ-KCZIOEPSSA-N 0 1 289.423 3.606 20 0 CHADMN CCC[C@H](C(=O)NOC1CCC1)c1ccc(Cl)cc1 ZINC000854753048 1123494929 /nfs/dbraw/zinc/49/49/29/1123494929.db2.gz QIVDINDTWCTAPP-AWEZNQCLSA-N 0 1 281.783 3.824 20 0 CHADMN Clc1ccsc1CN1CC(CC2CCOCC2)C1 ZINC000895616769 1123497047 /nfs/dbraw/zinc/49/70/47/1123497047.db2.gz XQARXWSOHDGRDD-UHFFFAOYSA-N 0 1 285.840 3.650 20 0 CHADMN CC(C)c1ccc([C@@H]2CCCCN2Cn2cnnc2)cc1 ZINC000776761444 1123498474 /nfs/dbraw/zinc/49/84/74/1123498474.db2.gz BEKUNARCYCSDAG-KRWDZBQOSA-N 0 1 284.407 3.586 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@H](C(C)(C)C)CC2)c1C ZINC000474282918 1123500051 /nfs/dbraw/zinc/50/00/51/1123500051.db2.gz LHEFURCQEUJUFP-UONOGXRCSA-N 0 1 291.439 3.751 20 0 CHADMN CC(C)c1ncc(CN2CCC3(CCCCO3)CC2)s1 ZINC000895654313 1123501242 /nfs/dbraw/zinc/50/12/42/1123501242.db2.gz PNOIZPHVRNBXSG-UHFFFAOYSA-N 0 1 294.464 3.802 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(-c2ccco2)on1 ZINC000052858114 1123505462 /nfs/dbraw/zinc/50/54/62/1123505462.db2.gz YYUVNAKIQVKMSA-ZDUSSCGKSA-N 0 1 260.337 3.699 20 0 CHADMN C[C@H]1CCCC[C@@H]1N(C)Cc1noc(-c2ccccc2)n1 ZINC000114713661 1123506433 /nfs/dbraw/zinc/50/64/33/1123506433.db2.gz YXFCEUZBORNODZ-ZFWWWQNUSA-N 0 1 285.391 3.747 20 0 CHADMN OCC[C@@H](NCc1cc(F)cc(Cl)c1)c1cccs1 ZINC000776801774 1123513862 /nfs/dbraw/zinc/51/38/62/1123513862.db2.gz ZGVDFEKYSJNARA-CYBMUJFWSA-N 0 1 299.798 3.754 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N1CCO[C@@H](C(F)F)CC1)CCC2 ZINC000634757419 1129126641 /nfs/dbraw/zinc/12/66/41/1129126641.db2.gz RHWKLRJTUSHVGJ-LSDHHAIUSA-N 0 1 299.336 3.559 20 0 CHADMN CCC[C@@H](C)CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000474444335 1123530673 /nfs/dbraw/zinc/53/06/73/1123530673.db2.gz HHHSDDMIDFLWSC-MRVPVSSYSA-N 0 1 273.735 3.950 20 0 CHADMN C[C@@H](C(=O)Nc1cc(F)cc(Cl)c1O)c1ccccc1 ZINC000474445711 1123530848 /nfs/dbraw/zinc/53/08/48/1123530848.db2.gz NDZUKNVEIQMICZ-SECBINFHSA-N 0 1 293.725 3.927 20 0 CHADMN Cc1ccc(F)cc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474440563 1123531306 /nfs/dbraw/zinc/53/13/06/1123531306.db2.gz YVQDGLGUDFXJHI-UHFFFAOYSA-N 0 1 297.688 3.885 20 0 CHADMN Cc1cc(S(=O)(=O)Nc2ccsc2C)c(C)s1 ZINC000634795856 1129127841 /nfs/dbraw/zinc/12/78/41/1129127841.db2.gz ROSVLXJRWSQKHS-UHFFFAOYSA-N 0 1 287.431 3.536 20 0 CHADMN FC(F)(F)c1nc(CN[C@@H]2C[C@@H]3CCCC[C@H]23)cs1 ZINC000896010040 1123542365 /nfs/dbraw/zinc/54/23/65/1123542365.db2.gz FFXNOAGBPRFERG-INTQDDNPSA-N 0 1 290.354 3.830 20 0 CHADMN CN(CCC1CCCCC1)Cc1cn2c(n1)CCCC2 ZINC000429529436 1123548412 /nfs/dbraw/zinc/54/84/12/1123548412.db2.gz PIBXGNXMOLWYFE-UHFFFAOYSA-N 0 1 275.440 3.622 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C[C@H]1CCCC[C@H]1C ZINC000543707162 1123551021 /nfs/dbraw/zinc/55/10/21/1123551021.db2.gz FCDNWYPDBAQANH-PSASIEDQSA-N 0 1 285.338 3.811 20 0 CHADMN Cc1ncc([C@H](C)NCc2cc(C)ccc2F)s1 ZINC000631224086 1123557502 /nfs/dbraw/zinc/55/75/02/1123557502.db2.gz MWOZQZMYXKJJNH-JTQLQIEISA-N 0 1 264.369 3.750 20 0 CHADMN Fc1ccc([C@@H]2CCCN2Cc2cnc3ccccn23)cc1 ZINC000157555715 1129129785 /nfs/dbraw/zinc/12/97/85/1129129785.db2.gz OBZQNRQIGVRNBZ-KRWDZBQOSA-N 0 1 295.361 3.811 20 0 CHADMN CCc1ccc(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)o1 ZINC000896229083 1123563789 /nfs/dbraw/zinc/56/37/89/1123563789.db2.gz ZMASZNPUDQEDSR-LBPRGKRZSA-N 0 1 291.288 3.708 20 0 CHADMN CC(C)[C@@H](NCc1cn(C)nc1Cl)c1ccc(F)cc1 ZINC000856765365 1123566630 /nfs/dbraw/zinc/56/66/30/1123566630.db2.gz YOVGPLSBXNSBRA-CQSZACIVSA-N 0 1 295.789 3.700 20 0 CHADMN Cc1ccc([C@@H](NCc2cn(C)nc2Cl)C2CC2)cc1 ZINC000856765580 1123567356 /nfs/dbraw/zinc/56/73/56/1123567356.db2.gz JXVAEEIYTYCIJS-OAHLLOKOSA-N 0 1 289.810 3.623 20 0 CHADMN Cc1cccc2c1CCC[C@H]2NCc1cn(C)nc1Cl ZINC000856795737 1123568655 /nfs/dbraw/zinc/56/86/55/1123568655.db2.gz IHLQRVPRZQSJSB-OAHLLOKOSA-N 0 1 289.810 3.549 20 0 CHADMN O=C([O-])[C@@H]1CCCCC[N@H+]1Cc1csc2ccccc12 ZINC000080992778 1129131044 /nfs/dbraw/zinc/13/10/44/1129131044.db2.gz VCPGOAWBOXKGDS-AWEZNQCLSA-N 0 1 289.400 3.731 20 0 CHADMN Clc1cscc1CN1CC[C@@H](c2cccnc2)C1 ZINC000648052825 1123594784 /nfs/dbraw/zinc/59/47/84/1123594784.db2.gz NBLBDKODSAPOCU-GFCCVEGCSA-N 0 1 278.808 3.786 20 0 CHADMN C[N@@H+](CCCc1ccccc1)Cc1cnn(C(C)(C)C)c1 ZINC000179317319 1123602044 /nfs/dbraw/zinc/60/20/44/1123602044.db2.gz BQFUYVNNVIKJBT-UHFFFAOYSA-N 0 1 285.435 3.703 20 0 CHADMN CC(C)C[C@H](CN(C)Cc1nccn1C)c1ccccc1 ZINC000474926558 1123612238 /nfs/dbraw/zinc/61/22/38/1123612238.db2.gz AYCINVXBWBXZPF-QGZVFWFLSA-N 0 1 285.435 3.682 20 0 CHADMN CC1(CC(F)F)CN(Cc2ccc(F)c3cccnc23)C1 ZINC000648058619 1123613349 /nfs/dbraw/zinc/61/33/49/1123613349.db2.gz VATKXRCRFNKKCV-UHFFFAOYSA-N 0 1 294.320 3.851 20 0 CHADMN CCCc1ccc(CN(C)Cc2c(C)noc2C)cc1 ZINC000194381525 1129133462 /nfs/dbraw/zinc/13/34/62/1129133462.db2.gz QZVMJPBLYUZSLC-UHFFFAOYSA-N 0 1 272.392 3.876 20 0 CHADMN Cc1[nH]c2ccc(CN[C@H]3CCCc4c[nH]nc43)cc2c1C ZINC000857850728 1123622335 /nfs/dbraw/zinc/62/23/35/1123622335.db2.gz YEXXSYAZQFAQII-KRWDZBQOSA-N 0 1 294.402 3.675 20 0 CHADMN CC[C@H](C)n1ncc(N[C@H]2CCCc3cn[nH]c32)c1C1CC1 ZINC000857863182 1123622828 /nfs/dbraw/zinc/62/28/28/1123622828.db2.gz RPYSSZSAZYMAOK-FZMZJTMJSA-N 0 1 299.422 3.944 20 0 CHADMN CC[C@H](C)n1ncc(N[C@@H]2CCCc3cn[nH]c32)c1C1CC1 ZINC000857863184 1123622924 /nfs/dbraw/zinc/62/29/24/1123622924.db2.gz RPYSSZSAZYMAOK-SMDDNHRTSA-N 0 1 299.422 3.944 20 0 CHADMN CCc1nn(C)c(CC)c1CN(C)[C@@H](C)c1cccs1 ZINC000157872656 1129134410 /nfs/dbraw/zinc/13/44/10/1129134410.db2.gz SIXPJISEIUYIAT-LBPRGKRZSA-N 0 1 291.464 3.799 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1ccnc(F)c1 ZINC000858102606 1123631968 /nfs/dbraw/zinc/63/19/68/1123631968.db2.gz ZHHATZKKHLDUNB-CQSZACIVSA-N 0 1 288.366 3.925 20 0 CHADMN CC1(C)CCC[C@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000329609146 1123632035 /nfs/dbraw/zinc/63/20/35/1123632035.db2.gz QZAHBMOWRMOUJL-ZDUSSCGKSA-N 0 1 282.347 3.678 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1cn3ccccc3n1)CC2 ZINC000671117679 1129134783 /nfs/dbraw/zinc/13/47/83/1129134783.db2.gz KXSIAVQKGWCBEQ-PBHICJAKSA-N 0 1 291.398 3.981 20 0 CHADMN Fc1cc(CN[C@@H]2CCc3cc(Cl)ccc32)ccn1 ZINC000858117787 1123633221 /nfs/dbraw/zinc/63/32/21/1123633221.db2.gz BMTXHMASLNSOQK-CQSZACIVSA-N 0 1 276.742 3.651 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1ccnc(F)c1 ZINC000858162020 1123636056 /nfs/dbraw/zinc/63/60/56/1123636056.db2.gz LPCMGZUXOXQUHF-NSHDSACASA-N 0 1 276.380 3.793 20 0 CHADMN CN(C)Cc1cc(NCc2ccnc(F)c2)ccc1Cl ZINC000858162400 1123636108 /nfs/dbraw/zinc/63/61/08/1123636108.db2.gz ZNLXEEMAWFECLP-UHFFFAOYSA-N 0 1 293.773 3.548 20 0 CHADMN CC(C)[C@H](NCc1ccnc(F)c1)c1ccccc1F ZINC000858188804 1123636450 /nfs/dbraw/zinc/63/64/50/1123636450.db2.gz IDMKYJTYOWBCMN-INIZCTEOSA-N 0 1 276.330 3.847 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(C(F)(F)F)cc1)c1ccnn1C ZINC000192249047 1123637698 /nfs/dbraw/zinc/63/76/98/1123637698.db2.gz IIUCXGASBTYPRL-QWRGUYRKSA-N 0 1 297.324 3.851 20 0 CHADMN CC[C@H](NCc1ncc(Cl)n1C)c1cc(C)ccc1C ZINC000858296719 1123642599 /nfs/dbraw/zinc/64/25/99/1123642599.db2.gz ZALJLRKALGFZGS-AWEZNQCLSA-N 0 1 291.826 3.931 20 0 CHADMN C[C@@H](NCc1ccc(OCC(F)F)cc1)c1ccns1 ZINC000858317264 1123644437 /nfs/dbraw/zinc/64/44/37/1123644437.db2.gz VTHGIHRLOHPJCO-SNVBAGLBSA-N 0 1 298.358 3.638 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccns2)ccc1Cl ZINC000858316720 1123644593 /nfs/dbraw/zinc/64/45/93/1123644593.db2.gz JAOPAEMISKGVQV-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN CC[C@@]1(C)CN(Cc2cccc(-c3ccncc3)c2)CCO1 ZINC000443855903 1123645036 /nfs/dbraw/zinc/64/50/36/1123645036.db2.gz QSWFHGVKVKZHNR-IBGZPJMESA-N 0 1 296.414 3.750 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccns2)c(C)c1 ZINC000858319240 1123645385 /nfs/dbraw/zinc/64/53/85/1123645385.db2.gz YSMWNNNRRJMKCW-GFCCVEGCSA-N 0 1 276.405 3.701 20 0 CHADMN CCc1nnc([C@H](C)N[C@H](C)[C@@H](C)C2CCCCC2)o1 ZINC000329695738 1123646350 /nfs/dbraw/zinc/64/63/50/1123646350.db2.gz XPTVFNNBSGZRKC-UPJWGTAASA-N 0 1 279.428 3.888 20 0 CHADMN CC[C@H](NCC[C@@H](C)F)c1nc(C(F)(F)F)cs1 ZINC000351730483 1123647807 /nfs/dbraw/zinc/64/78/07/1123647807.db2.gz OUOOPOIODIPABO-SFYZADRCSA-N 0 1 284.322 3.951 20 0 CHADMN CC(C)(C)SCCN[C@H]1CCCc2scnc21 ZINC000858375301 1123648439 /nfs/dbraw/zinc/64/84/39/1123648439.db2.gz PDEMMEGCMTXXAB-JTQLQIEISA-N 0 1 270.467 3.642 20 0 CHADMN C[C@@H](N[C@H]1CCc2ccccc21)c1ccncc1F ZINC000335905313 1123650344 /nfs/dbraw/zinc/65/03/44/1123650344.db2.gz RUZAAQAWUNFHNB-BZNIZROVSA-N 0 1 256.324 3.559 20 0 CHADMN FC(F)c1ccc(CN2CC3(CCC3(F)F)C2)cc1 ZINC000335908445 1123651635 /nfs/dbraw/zinc/65/16/35/1123651635.db2.gz WJKBZNPQOAUNPE-UHFFFAOYSA-N 0 1 273.273 3.855 20 0 CHADMN CN(C)Cc1cc(CNc2nc(Cl)cs2)ccc1F ZINC000858411357 1123651985 /nfs/dbraw/zinc/65/19/85/1123651985.db2.gz IDWSJCMKIWGDEM-UHFFFAOYSA-N 0 1 299.802 3.609 20 0 CHADMN Cc1nc(C2(NC[C@@H]3C[C@H]3c3ccccc3)CCCC2)no1 ZINC000329790596 1123655174 /nfs/dbraw/zinc/65/51/74/1123655174.db2.gz CWIHDDIVAOMEPF-HOTGVXAUSA-N 0 1 297.402 3.541 20 0 CHADMN Cc1nc2ccc(NC(=O)C[C@@H]3CCC[C@H]3C)cc2[nH]1 ZINC000346093672 1123663364 /nfs/dbraw/zinc/66/33/64/1123663364.db2.gz NSJLATJSVHPZIF-PWSUYJOCSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@H](C)c1ccns1)CCC2 ZINC000858576444 1123663919 /nfs/dbraw/zinc/66/39/19/1123663919.db2.gz KMXSVWBHZQDDNF-PSASIEDQSA-N 0 1 279.434 3.636 20 0 CHADMN CCc1cnc(CN([C@H](C)C(C)C)C2CC2)s1 ZINC000346133397 1123664762 /nfs/dbraw/zinc/66/47/62/1123664762.db2.gz MQLCOYGDYOOXAF-LLVKDONJSA-N 0 1 252.427 3.714 20 0 CHADMN CCc1nc(C)c([C@H](C)N[C@H](C)c2ccns2)s1 ZINC000858576761 1123664861 /nfs/dbraw/zinc/66/48/61/1123664861.db2.gz MHQJUMAXJGBCDN-BDAKNGLRSA-N 0 1 281.450 3.882 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H]1CCc2ccc(Cl)cc21 ZINC000858583360 1123665812 /nfs/dbraw/zinc/66/58/12/1123665812.db2.gz ZXEKGTIIBIWOFB-XHDPSFHLSA-N 0 1 287.794 3.777 20 0 CHADMN Cc1nc(C[N@H+](C)C[C@H]2CCCC[C@@H]2C)cs1 ZINC000346187551 1123668110 /nfs/dbraw/zinc/66/81/10/1123668110.db2.gz WXQDVWSTGLWJID-WCQYABFASA-N 0 1 252.427 3.710 20 0 CHADMN Cc1nc(CN(C)C[C@H]2CCCC[C@@H]2C)cs1 ZINC000346187551 1123668112 /nfs/dbraw/zinc/66/81/12/1123668112.db2.gz WXQDVWSTGLWJID-WCQYABFASA-N 0 1 252.427 3.710 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1ccccc1SC ZINC000071809452 1129137447 /nfs/dbraw/zinc/13/74/47/1129137447.db2.gz MKFLVBCSFNMIDH-UHFFFAOYSA-N 0 1 294.464 3.859 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)s1 ZINC000346215509 1123671645 /nfs/dbraw/zinc/67/16/45/1123671645.db2.gz KKQQWWIECSBKPW-ZIAGYGMSSA-N 0 1 294.464 3.515 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2cc(C)ccc2C)on1 ZINC000346276432 1123674394 /nfs/dbraw/zinc/67/43/94/1123674394.db2.gz BGVVRCHAKSUWBH-AWEZNQCLSA-N 0 1 258.365 3.793 20 0 CHADMN CCCC[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1F ZINC000346314513 1123679328 /nfs/dbraw/zinc/67/93/28/1123679328.db2.gz RFXMOJLPGJINBN-UHFFFAOYSA-N 0 1 289.398 3.633 20 0 CHADMN CCc1cnc(CN2C[C@@H](C)CC(C)(C)C2)s1 ZINC000346316535 1123679498 /nfs/dbraw/zinc/67/94/98/1123679498.db2.gz ANHSOIWKLRXCPC-NSHDSACASA-N 0 1 252.427 3.574 20 0 CHADMN Cc1ccccc1CCCOc1ccccc1-c1nnc[nH]1 ZINC000158085395 1129138398 /nfs/dbraw/zinc/13/83/98/1129138398.db2.gz MEVVCWRMXFUAIW-UHFFFAOYSA-N 0 1 293.370 3.792 20 0 CHADMN CN(CC(=O)Nc1ccccc1Cl)CC1CC(C)(C)C1 ZINC000859069593 1123682654 /nfs/dbraw/zinc/68/26/54/1123682654.db2.gz ARJBJXTVEKCNMZ-UHFFFAOYSA-N 0 1 294.826 3.647 20 0 CHADMN CCN(Cc1ccnc(F)c1)[C@H](C)c1cccc(O)c1 ZINC000859157680 1123686892 /nfs/dbraw/zinc/68/68/92/1123686892.db2.gz LZWWJQVWSICVGC-GFCCVEGCSA-N 0 1 274.339 3.509 20 0 CHADMN Cc1ccc(CCN2CCO[C@H](c3cccs3)C2)cc1 ZINC000158104388 1129138960 /nfs/dbraw/zinc/13/89/60/1129138960.db2.gz YYOHHOJIDWRPTJ-INIZCTEOSA-N 0 1 287.428 3.673 20 0 CHADMN C[C@@H](NCc1ccc(F)cn1)c1cccc(OC(F)F)c1 ZINC000346521849 1123691381 /nfs/dbraw/zinc/69/13/81/1123691381.db2.gz JOMBFXMSAXHDKN-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN Clc1ccccc1COc1ccccc1-c1nnc[nH]1 ZINC000158095011 1129139067 /nfs/dbraw/zinc/13/90/67/1129139067.db2.gz RKISTCONSCQBLX-UHFFFAOYSA-N 0 1 285.734 3.704 20 0 CHADMN Cc1nc([C@@H](C)NC(C2CCCC2)C2CCCC2)no1 ZINC000859232326 1123692148 /nfs/dbraw/zinc/69/21/48/1123692148.db2.gz HBESBPIRARHMEY-LLVKDONJSA-N 0 1 277.412 3.778 20 0 CHADMN FC1(F)CC12C[C@H]1CC[C@@H](C2)N1Cc1cccnc1Cl ZINC000859426564 1123697481 /nfs/dbraw/zinc/69/74/81/1123697481.db2.gz JJDAXBPURXHDEM-ONXXMXGDSA-N 0 1 298.764 3.887 20 0 CHADMN CCc1cccc(CN[C@@H](C)c2cncc(F)c2)c1 ZINC000346580900 1123697937 /nfs/dbraw/zinc/69/79/37/1123697937.db2.gz UPOYKTHFXAWDKG-LBPRGKRZSA-N 0 1 258.340 3.634 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H]1CCCc2c(O)cccc21 ZINC000671120911 1129139678 /nfs/dbraw/zinc/13/96/78/1129139678.db2.gz DMFBZMFBFXHLQY-MLGOLLRUSA-N 0 1 298.386 3.524 20 0 CHADMN CCc1nnc([C@H](C)Sc2nc3ccc(C)cc3[nH]2)o1 ZINC000346668673 1123705650 /nfs/dbraw/zinc/70/56/50/1123705650.db2.gz FWSIAFYIHPADPU-VIFPVBQESA-N 0 1 288.376 3.670 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@H]1CCc2c1cccc2F ZINC000281482933 1123710205 /nfs/dbraw/zinc/71/02/05/1123710205.db2.gz VNHRRGNSHDKSSU-KRWDZBQOSA-N 0 1 287.382 3.689 20 0 CHADMN CC(C)CCN(Cc1nc(C2CC2)no1)C1CCCC1 ZINC000346797618 1123714062 /nfs/dbraw/zinc/71/40/62/1123714062.db2.gz SUSHTSINWAMSBX-UHFFFAOYSA-N 0 1 277.412 3.738 20 0 CHADMN Cc1ccsc1CNCc1cnc(C(F)(F)F)s1 ZINC000443980079 1123715375 /nfs/dbraw/zinc/71/53/75/1123715375.db2.gz MAGRRRWYHAVJSE-UHFFFAOYSA-N 0 1 292.351 3.822 20 0 CHADMN COCC[C@@H](N[C@H](C)c1ccns1)c1ccccc1 ZINC000860058175 1123719715 /nfs/dbraw/zinc/71/97/15/1123719715.db2.gz JBZVXJWHEACHAG-TZMCWYRMSA-N 0 1 276.405 3.572 20 0 CHADMN CCn1c(C)cc(C(=O)CN([C@H](C)C2CC2)C2CC2)c1C ZINC000444055096 1123724134 /nfs/dbraw/zinc/72/41/34/1123724134.db2.gz ZRJWXGJTAZFMJD-CYBMUJFWSA-N 0 1 288.435 3.570 20 0 CHADMN CCc1occc1C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000281575794 1123727404 /nfs/dbraw/zinc/72/74/04/1123727404.db2.gz PBZCMOHLUYSDAV-UHFFFAOYSA-N 0 1 299.330 3.694 20 0 CHADMN COC1CCC(Nc2ccc(Cl)c(CN(C)C)c2)CC1 ZINC000281612501 1123730015 /nfs/dbraw/zinc/73/00/15/1123730015.db2.gz NBIUMLMRXRNIII-UHFFFAOYSA-N 0 1 296.842 3.771 20 0 CHADMN c1cncc([C@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)c1 ZINC000346982552 1123739179 /nfs/dbraw/zinc/73/91/79/1123739179.db2.gz NQKOMMMCMLTDIA-LJQANCHMSA-N 0 1 289.382 3.967 20 0 CHADMN CC1(C)CCc2ccccc2[C@H](NCc2ccno2)C1 ZINC000281724869 1123741857 /nfs/dbraw/zinc/74/18/57/1123741857.db2.gz PJRCEBPOPMQLQL-MRXNPFEDSA-N 0 1 270.376 3.868 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)C[C@H]1CC[C@@H](C)O1 ZINC000475055648 1123757715 /nfs/dbraw/zinc/75/77/15/1123757715.db2.gz WYVNVJBIXJEOFO-FRRDWIJNSA-N 0 1 267.800 3.900 20 0 CHADMN Fc1cncc(CN[C@@H]2CCSc3ccccc32)c1 ZINC000336304446 1123758223 /nfs/dbraw/zinc/75/82/23/1123758223.db2.gz MLJFPTAQESOLHV-CQSZACIVSA-N 0 1 274.364 3.547 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](O)CC(C)(C)C1 ZINC000336302752 1123758913 /nfs/dbraw/zinc/75/89/13/1123758913.db2.gz DDYUQFQHWHALLA-QWHCGFSZSA-N 0 1 294.439 3.516 20 0 CHADMN Cc1ccoc1CN[C@@H]1CCCOc2ccccc21 ZINC000336348198 1123764178 /nfs/dbraw/zinc/76/41/78/1123764178.db2.gz KKJGEYKJNYGPPE-CQSZACIVSA-N 0 1 257.333 3.592 20 0 CHADMN C[C@@H](Nc1cc2c(cn1)CCCC2)c1ccncc1 ZINC000336400631 1123769406 /nfs/dbraw/zinc/76/94/06/1123769406.db2.gz SMUWHNGEJYUPAH-GFCCVEGCSA-N 0 1 253.349 3.529 20 0 CHADMN Cc1cc(C(=O)CN(C)[C@H](C)C(C)C)c(C)n1C1CC1 ZINC000444249339 1123774464 /nfs/dbraw/zinc/77/44/64/1123774464.db2.gz PZPQCAYRTGZBJL-CYBMUJFWSA-N 0 1 276.424 3.599 20 0 CHADMN CSCc1cc(F)ccc1CNCc1ccc(C)cn1 ZINC000134402625 1123775392 /nfs/dbraw/zinc/77/53/92/1123775392.db2.gz KWMAKOMKJQTVNI-UHFFFAOYSA-N 0 1 290.407 3.682 20 0 CHADMN CC(C)Oc1ccc([C@@H](C)N[C@H](C)c2ccncn2)cc1 ZINC000395786379 1123778143 /nfs/dbraw/zinc/77/81/43/1123778143.db2.gz HYPVETQPZGRISQ-ZIAGYGMSSA-N 0 1 285.391 3.676 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1ccc(F)cc1Br ZINC000042237996 1123783909 /nfs/dbraw/zinc/78/39/09/1123783909.db2.gz YTPAMNKWYDZQJE-SECBINFHSA-N 0 1 286.188 3.819 20 0 CHADMN Fc1ccc([C@H]2CN(CCCc3ccccc3)CCO2)cc1 ZINC000058666388 1123784079 /nfs/dbraw/zinc/78/40/79/1123784079.db2.gz OAQYSSWMGGBVNX-LJQANCHMSA-N 0 1 299.389 3.832 20 0 CHADMN COc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1SC ZINC000840773063 1123791024 /nfs/dbraw/zinc/79/10/24/1123791024.db2.gz DEJKKCFMIQZIRO-LBPRGKRZSA-N 0 1 289.404 3.630 20 0 CHADMN CCc1cccc(Cl)c1CN(CCOC)C1CC1 ZINC000475094820 1123791411 /nfs/dbraw/zinc/79/14/11/1123791411.db2.gz XPNONVBPVQYMHB-UHFFFAOYSA-N 0 1 267.800 3.513 20 0 CHADMN CSc1ccc(CN(C)Cc2ccc(C)o2)cc1 ZINC000042978415 1123791484 /nfs/dbraw/zinc/79/14/84/1123791484.db2.gz SURQUGQGRPVZJK-UHFFFAOYSA-N 0 1 261.390 3.942 20 0 CHADMN COCc1ccc(NCc2cnc(-c3ccccc3)[nH]2)cc1 ZINC000195461959 1129145723 /nfs/dbraw/zinc/14/57/23/1129145723.db2.gz JPPBINCWZTZPNZ-UHFFFAOYSA-N 0 1 293.370 3.835 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1ccc2c(c1)OCO2 ZINC000315407922 1129145794 /nfs/dbraw/zinc/14/57/94/1129145794.db2.gz HBYGKCUBGROTCV-ZDUSSCGKSA-N 0 1 299.370 3.583 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1ccnc(F)c1C ZINC000862264668 1123796643 /nfs/dbraw/zinc/79/66/43/1123796643.db2.gz ZQNSWTIPJPNIRS-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN C[C@@H](NCCOC1CCCC1)c1cc(F)ccc1F ZINC000104447690 1123802099 /nfs/dbraw/zinc/80/20/99/1123802099.db2.gz ZHTOOZMPDNEQDY-LLVKDONJSA-N 0 1 269.335 3.575 20 0 CHADMN Cc1c(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)ccnc1F ZINC000862384128 1123806127 /nfs/dbraw/zinc/80/61/27/1123806127.db2.gz OOYRLLYFKVNTEY-BXKDBHETSA-N 0 1 290.304 3.692 20 0 CHADMN c1cc2c(o1)CCCN(Cc1scnc1C1CC1)C2 ZINC000336360583 1123807608 /nfs/dbraw/zinc/80/76/08/1123807608.db2.gz JCGYFILLWGVJHM-UHFFFAOYSA-N 0 1 274.389 3.562 20 0 CHADMN CC[C@H]1CCCC[C@H]1CN1CCc2cc(Cl)nnc2C1 ZINC000862399309 1123807751 /nfs/dbraw/zinc/80/77/51/1123807751.db2.gz ZGNCGCOGJGXVNE-JSGCOSHPSA-N 0 1 293.842 3.705 20 0 CHADMN COc1ccccc1CNc1nc2ccc(Cl)cc2[nH]1 ZINC000082739911 1129146951 /nfs/dbraw/zinc/14/69/51/1129146951.db2.gz ZNGDKINZSIOSGD-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN Cc1c(CN[C@@H](c2ccccn2)C2CCC2)ccnc1F ZINC000862478380 1123813011 /nfs/dbraw/zinc/81/30/11/1123813011.db2.gz WWMSFPFMHVKOFR-MRXNPFEDSA-N 0 1 285.366 3.555 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1ccncn1)c1ccc(F)cc1 ZINC000396064730 1123815971 /nfs/dbraw/zinc/81/59/71/1123815971.db2.gz YRPSANNGYOBIAM-MLGOLLRUSA-N 0 1 273.355 3.664 20 0 CHADMN Brc1ccsc1CN1CCCCCC1 ZINC000043501794 1123818850 /nfs/dbraw/zinc/81/88/50/1123818850.db2.gz WDIYODXRCAWQQF-UHFFFAOYSA-N 0 1 274.227 3.887 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000475272191 1123832853 /nfs/dbraw/zinc/83/28/53/1123832853.db2.gz XXJVCYBFFROSPH-CMPLNLGQSA-N 0 1 275.289 3.907 20 0 CHADMN CC[C@@H]1CCCN(Cc2ccc(F)cc2C(=O)OC)CC1 ZINC000609766684 1123842439 /nfs/dbraw/zinc/84/24/39/1123842439.db2.gz DBNWZQLBLULNSO-CYBMUJFWSA-N 0 1 293.382 3.624 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1C[C@H](C)[C@H](C)C1 ZINC000475368795 1123851586 /nfs/dbraw/zinc/85/15/86/1123851586.db2.gz FWXXIJQSJGNZKM-GRYCIOLGSA-N 0 1 250.386 3.621 20 0 CHADMN CC(C)SCCNCc1nc(C(C)(C)C)cs1 ZINC000379871693 1123854479 /nfs/dbraw/zinc/85/44/79/1123854479.db2.gz YJCBXEZPAAFNOF-UHFFFAOYSA-N 0 1 272.483 3.672 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccn1)c1ccc2c(c1)OCCCO2 ZINC000192917338 1123866469 /nfs/dbraw/zinc/86/64/69/1123866469.db2.gz ULLNWRLXLKTOJN-ZIAGYGMSSA-N 0 1 298.386 3.655 20 0 CHADMN Fc1cc(CNCc2ccsc2)ccc1OC(F)F ZINC000339055097 1123866985 /nfs/dbraw/zinc/86/69/85/1123866985.db2.gz DSKNNRQDBFDQGW-UHFFFAOYSA-N 0 1 287.306 3.778 20 0 CHADMN CSc1cccc(NC(=O)CN2[C@@H](C)CCC[C@@H]2C)c1 ZINC000009997563 1123867308 /nfs/dbraw/zinc/86/73/08/1123867308.db2.gz MWVCKORTAYOIIM-STQMWFEESA-N 0 1 292.448 3.610 20 0 CHADMN COc1ccc(CNCc2sccc2Cl)cc1 ZINC000192976393 1123868113 /nfs/dbraw/zinc/86/81/13/1123868113.db2.gz GULGPGUZTOIGMG-UHFFFAOYSA-N 0 1 267.781 3.700 20 0 CHADMN Cc1ccccc1OCCN(C)Cc1cncc(Cl)c1 ZINC000621242830 1129151083 /nfs/dbraw/zinc/15/10/83/1129151083.db2.gz ZSDUFZXMDWWEEA-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN Cc1occc1CN(C)c1ccnc2cc(F)ccc21 ZINC000301235420 1123883186 /nfs/dbraw/zinc/88/31/86/1123883186.db2.gz CUSIQHXMZAXHGS-UHFFFAOYSA-N 0 1 270.307 3.912 20 0 CHADMN Cc1noc(C)c1CN(C)c1ccnc2cc(F)ccc21 ZINC000301242551 1123884422 /nfs/dbraw/zinc/88/44/22/1123884422.db2.gz GOFQKCVKIJZETI-UHFFFAOYSA-N 0 1 285.322 3.615 20 0 CHADMN Cc1ccccc1[C@H](O)CNc1ccnc2cc(F)ccc21 ZINC000301251999 1123884603 /nfs/dbraw/zinc/88/46/03/1123884603.db2.gz JLGLHFLISXTVMJ-GOSISDBHSA-N 0 1 296.345 3.828 20 0 CHADMN Cc1nc(CN(C)c2ccnc3cc(F)ccc32)cs1 ZINC000301250216 1123884614 /nfs/dbraw/zinc/88/46/14/1123884614.db2.gz JAQKBLHIZXXVRE-UHFFFAOYSA-N 0 1 287.363 3.775 20 0 CHADMN CC(C)[C@H](N)c1noc([C@H]2CC[C@H]2c2ccc(F)cc2)n1 ZINC000863658154 1123885541 /nfs/dbraw/zinc/88/55/41/1123885541.db2.gz ZBFHAJYWBYTCMM-IHRRRGAJSA-N 0 1 289.354 3.526 20 0 CHADMN COc1ccccc1CNc1ccnc2cc(F)ccc21 ZINC000301260500 1123885799 /nfs/dbraw/zinc/88/57/99/1123885799.db2.gz LHGKBXUOIRIRMJ-UHFFFAOYSA-N 0 1 282.318 3.995 20 0 CHADMN CCCCN(C(=O)c1cc(CCC)[nH]n1)C1CCCCC1 ZINC000621234267 1129151920 /nfs/dbraw/zinc/15/19/20/1129151920.db2.gz NKIGETLVQLWROR-UHFFFAOYSA-N 0 1 291.439 3.937 20 0 CHADMN Fc1ccc2c(c1)nccc2NCc1ccccc1 ZINC000301301854 1123890394 /nfs/dbraw/zinc/89/03/94/1123890394.db2.gz XYVGYCQHHYNYJU-UHFFFAOYSA-N 0 1 252.292 3.986 20 0 CHADMN FC(F)(F)c1cnccc1NC[C@@H]1CCCC12CC2 ZINC000864090548 1123916932 /nfs/dbraw/zinc/91/69/32/1123916932.db2.gz GJCKTOMCQHTIKW-JTQLQIEISA-N 0 1 270.298 3.515 20 0 CHADMN Cc1nc(C)c(CN[C@@H](C)c2ccnc(Cl)c2)s1 ZINC000119862957 1123917489 /nfs/dbraw/zinc/91/74/89/1123917489.db2.gz OUQJMHKGGVNURQ-QMMMGPOBSA-N 0 1 281.812 3.659 20 0 CHADMN Fc1ccc2c(c1)nccc2NC[C@@H]1CCCS1 ZINC000301614778 1123918087 /nfs/dbraw/zinc/91/80/87/1123918087.db2.gz URXJQAZZWNOQJC-NSHDSACASA-N 0 1 262.353 3.681 20 0 CHADMN Cc1ccnc(NCCc2cc3ccccc3o2)c1 ZINC000301634825 1123919922 /nfs/dbraw/zinc/91/99/22/1123919922.db2.gz KOJFZAYSGHPVOG-UHFFFAOYSA-N 0 1 252.317 3.791 20 0 CHADMN Cc1ccnc(NC[C@@H](C)Oc2ccccc2Cl)c1 ZINC000301649879 1123920516 /nfs/dbraw/zinc/92/05/16/1123920516.db2.gz PNHZNMVZLKCOTB-GFCCVEGCSA-N 0 1 276.767 3.923 20 0 CHADMN Cc1cc(NC[C@@H]2CCCS2)c2cc(F)ccc2n1 ZINC000301661360 1123921575 /nfs/dbraw/zinc/92/15/75/1123921575.db2.gz JPMJKLXZBVYJHC-LBPRGKRZSA-N 0 1 276.380 3.990 20 0 CHADMN Cc1ccnc(NCCc2nc(C(C)(C)C)cs2)c1 ZINC000301672125 1123922085 /nfs/dbraw/zinc/92/20/85/1123922085.db2.gz ZLXKPJYQMJCXEL-UHFFFAOYSA-N 0 1 275.421 3.799 20 0 CHADMN CC1CN(Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000794747604 1123944068 /nfs/dbraw/zinc/94/40/68/1123944068.db2.gz KEIGJCQHWWLJSL-UHFFFAOYSA-N 0 1 283.400 3.515 20 0 CHADMN CCc1c(Nc2nc(C(C)C)ns2)cnn1CC(C)C ZINC000301969827 1123947197 /nfs/dbraw/zinc/94/71/97/1123947197.db2.gz CITMIJCDYOQNKS-UHFFFAOYSA-N 0 1 293.440 3.820 20 0 CHADMN CCN(C[C@@H]1CCCO1)c1cc(C)nc2ccc(F)cc21 ZINC000302000342 1123949084 /nfs/dbraw/zinc/94/90/84/1123949084.db2.gz VVWFTJKATYLBHX-AWEZNQCLSA-N 0 1 288.366 3.688 20 0 CHADMN Fc1ccc2c(c1)nccc2NCC[C@@H]1CCCCO1 ZINC000302016740 1123949722 /nfs/dbraw/zinc/94/97/22/1123949722.db2.gz FZBWORMRCUYPMP-ZDUSSCGKSA-N 0 1 274.339 3.745 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1ccc2ncccc2c1 ZINC000794829857 1123962568 /nfs/dbraw/zinc/96/25/68/1123962568.db2.gz RVDGZKAVNNBVHX-GFCCVEGCSA-N 0 1 295.386 3.944 20 0 CHADMN CC[C@H](NCc1cccnc1F)c1cccs1 ZINC000794833693 1123965573 /nfs/dbraw/zinc/96/55/73/1123965573.db2.gz HOTOYFFGMYBXQE-NSHDSACASA-N 0 1 250.342 3.523 20 0 CHADMN CC[C@H](NCc1cccnc1F)c1ccc(F)cc1 ZINC000794832982 1123966718 /nfs/dbraw/zinc/96/67/18/1123966718.db2.gz FVDWWXJMSPJVAA-AWEZNQCLSA-N 0 1 262.303 3.601 20 0 CHADMN Fc1ncccc1CN[C@H](CC1CC1)c1ccccc1 ZINC000794836441 1123971619 /nfs/dbraw/zinc/97/16/19/1123971619.db2.gz PETHSFGJZVJNDB-MRXNPFEDSA-N 0 1 270.351 3.852 20 0 CHADMN Fc1ccc2c(c1)CCC[C@@H]2NCc1cccnc1F ZINC000794836116 1123972327 /nfs/dbraw/zinc/97/23/27/1123972327.db2.gz RYNHWPIXMOYWRV-HNNXBMFYSA-N 0 1 274.314 3.527 20 0 CHADMN CO[C@H]1CC[C@@H](Nc2cc(C)nc3ccc(F)cc32)C1 ZINC000302610171 1123974947 /nfs/dbraw/zinc/97/49/47/1123974947.db2.gz ALKXCRVGMXTUBC-OLZOCXBDSA-N 0 1 274.339 3.662 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1nc2cc(F)ccc2o1 ZINC000302742248 1123980672 /nfs/dbraw/zinc/98/06/72/1123980672.db2.gz ZNCTVGKMFXWUCG-UHFFFAOYSA-N 0 1 282.278 3.895 20 0 CHADMN c1csc([C@@H](NCc2cn(C3CC3)cn2)C2CC2)c1 ZINC000865406355 1123980910 /nfs/dbraw/zinc/98/09/10/1123980910.db2.gz QTSCWEAUEFJGTF-HNNXBMFYSA-N 0 1 273.405 3.520 20 0 CHADMN O=c1[nH]ccc2oc(CN[C@@H](c3ccccc3)C3CC3)cc21 ZINC000865406340 1123981380 /nfs/dbraw/zinc/98/13/80/1123981380.db2.gz QGXVYQSNJZRHHQ-KRWDZBQOSA-N 0 1 294.354 3.774 20 0 CHADMN Cc1ccc(CNCc2cnc(Cl)c(F)c2)s1 ZINC000865415703 1123981949 /nfs/dbraw/zinc/98/19/49/1123981949.db2.gz OZWMDRLTYHAHSD-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN C[C@@H]1CCN(c2ccnc3cc(F)ccc32)CCS1 ZINC000302769814 1123982605 /nfs/dbraw/zinc/98/26/05/1123982605.db2.gz ZMXGLIBLTZTXLW-LLVKDONJSA-N 0 1 276.380 3.706 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1cnc(Cl)c(F)c1 ZINC000865435078 1123983991 /nfs/dbraw/zinc/98/39/91/1123983991.db2.gz YBNFLASNKUKTOS-AWEZNQCLSA-N 0 1 294.732 3.790 20 0 CHADMN Cc1cc(C)c([C@H](C)NCc2cccnc2F)cc1C ZINC000794836918 1123984138 /nfs/dbraw/zinc/98/41/38/1123984138.db2.gz SGNHDHREZRRSKZ-AWEZNQCLSA-N 0 1 272.367 3.997 20 0 CHADMN FC(F)(F)c1cnccc1N1CCNc2ccccc2C1 ZINC000865439835 1123984470 /nfs/dbraw/zinc/98/44/70/1123984470.db2.gz FYMPLLSLNZVGDD-UHFFFAOYSA-N 0 1 293.292 3.533 20 0 CHADMN CCc1ccccc1CNCc1cnc(Cl)c(F)c1 ZINC000865474209 1123987207 /nfs/dbraw/zinc/98/72/07/1123987207.db2.gz YQIWKKOCGDNDAK-UHFFFAOYSA-N 0 1 278.758 3.726 20 0 CHADMN c1nc(CN[C@@H](CC2CC2)c2ccccc2)cn1C1CC1 ZINC000865476560 1123988064 /nfs/dbraw/zinc/98/80/64/1123988064.db2.gz NNPJQVDSQOBFDV-SFHVURJKSA-N 0 1 281.403 3.849 20 0 CHADMN CC1(C)C[C@H](NCc2cn(C3CC3)cn2)c2ccccc21 ZINC000865496487 1123989087 /nfs/dbraw/zinc/98/90/87/1123989087.db2.gz VNWSYCHVINRUJP-KRWDZBQOSA-N 0 1 281.403 3.730 20 0 CHADMN CCN(Cc1cn2c(cccc2C)n1)Cc1ccc(C)cc1 ZINC000621284697 1129159457 /nfs/dbraw/zinc/15/94/57/1129159457.db2.gz NWCMFQVIQZGEBU-UHFFFAOYSA-N 0 1 293.414 3.973 20 0 CHADMN C[C@@H]1CC[C@]2(CCN(Cc3cncc(Cl)c3)C2)C1 ZINC000621276313 1129159593 /nfs/dbraw/zinc/15/95/93/1129159593.db2.gz AWMMQVGWJLOZHB-DOMZBBRYSA-N 0 1 264.800 3.747 20 0 CHADMN CCOc1cccc([C@H](C)NCc2cncc(Cl)c2)c1 ZINC000621274112 1129159897 /nfs/dbraw/zinc/15/98/97/1129159897.db2.gz YLOCXMRHTBZHCL-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN CCn1nccc1CNCc1cccc(CC2CCC2)c1 ZINC000865637239 1124000956 /nfs/dbraw/zinc/00/09/56/1124000956.db2.gz YEQDREGZCGVTLH-UHFFFAOYSA-N 0 1 283.419 3.535 20 0 CHADMN Cc1cccc2c1CCC[C@H]2NCc1cn(C2CC2)cn1 ZINC000865633409 1124000981 /nfs/dbraw/zinc/00/09/81/1124000981.db2.gz CZDJFSWIFNGBOF-GOSISDBHSA-N 0 1 281.403 3.694 20 0 CHADMN Cc1c(Cl)cccc1CN[C@H](C)c1ccns1 ZINC000865645089 1124002154 /nfs/dbraw/zinc/00/21/54/1124002154.db2.gz PHZSWPUBIVHEEL-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN F[C@@H]1CCCC[C@@H]1NCc1c(C2CC2)nc2sccn12 ZINC000865699472 1124006913 /nfs/dbraw/zinc/00/69/13/1124006913.db2.gz SBBZBDUEOCKPND-NEPJUHHUSA-N 0 1 293.411 3.644 20 0 CHADMN Fc1cc(CNCc2cscc2C(F)(F)F)ccn1 ZINC000865722131 1124008185 /nfs/dbraw/zinc/00/81/85/1124008185.db2.gz DQQYTJJVXGMMAN-UHFFFAOYSA-N 0 1 290.285 3.591 20 0 CHADMN CC(C)(C)c1csc(CNC(C)(C)[C@H]2CCCCO2)n1 ZINC000865744229 1124009411 /nfs/dbraw/zinc/00/94/11/1124009411.db2.gz POPXBIJDNZISCW-CYBMUJFWSA-N 0 1 296.480 3.878 20 0 CHADMN CCC[C@H](NCc1scnc1C)c1cc(C)ccn1 ZINC000631583429 1124009620 /nfs/dbraw/zinc/00/96/20/1124009620.db2.gz XHFUEFQAHPEMPV-ZDUSSCGKSA-N 0 1 275.421 3.786 20 0 CHADMN CCC(CC)(CNCc1c(Cl)cnn1C)C(F)(F)F ZINC000865756284 1124010826 /nfs/dbraw/zinc/01/08/26/1124010826.db2.gz IOWLIAQSEQCNQB-UHFFFAOYSA-N 0 1 297.752 3.532 20 0 CHADMN Cc1nc2ccc(NC(=O)C3CCC4(CC4)CC3)cc2[nH]1 ZINC000665795848 1124014125 /nfs/dbraw/zinc/01/41/25/1124014125.db2.gz FASSLKDSPARIRX-UHFFFAOYSA-N 0 1 283.375 3.780 20 0 CHADMN Cc1cnccc1CNCc1ccc(C(C)(C)C)o1 ZINC000865814808 1124016009 /nfs/dbraw/zinc/01/60/09/1124016009.db2.gz LDBAYVRWBHPLLT-UHFFFAOYSA-N 0 1 258.365 3.570 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1noc2c1CCCC2)C1CC1 ZINC000108917958 1124017053 /nfs/dbraw/zinc/01/70/53/1124017053.db2.gz MEFZXRKHFOPMFQ-QWHCGFSZSA-N 0 1 276.424 3.952 20 0 CHADMN Fc1c(Cl)cc(Cl)cc1CNCC1=CCCOC1 ZINC000865818200 1124017240 /nfs/dbraw/zinc/01/72/40/1124017240.db2.gz RUIMGXNIAALACT-UHFFFAOYSA-N 0 1 290.165 3.569 20 0 CHADMN C[C@]12CCN(c3ccncc3C(F)(F)F)C[C@H]1C2(F)F ZINC000865823436 1124017750 /nfs/dbraw/zinc/01/77/50/1124017750.db2.gz DSKFPXUTKLWAJJ-MNOVXSKESA-N 0 1 292.251 3.582 20 0 CHADMN CC(C)(C)Oc1cccc(CN[C@@H]2CCCn3nccc32)c1 ZINC000865870942 1124023765 /nfs/dbraw/zinc/02/37/65/1124023765.db2.gz AJYKSFZCWOYUTJ-MRXNPFEDSA-N 0 1 299.418 3.685 20 0 CHADMN CCC[C@H](NCc1c(C)noc1C)c1ccccc1 ZINC000035013191 1124023862 /nfs/dbraw/zinc/02/38/62/1124023862.db2.gz MLDNNKXRCDAFTO-INIZCTEOSA-N 0 1 258.365 3.922 20 0 CHADMN COc1cc(C)cc(CN[C@@H](C)c2ccccc2)c1OC ZINC000885894424 1124026242 /nfs/dbraw/zinc/02/62/42/1124026242.db2.gz UCIGVPAMLVQKOK-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN CC(C)c1nc(CSc2nc(C(C)(C)C)n[nH]2)cs1 ZINC000031655306 1124036506 /nfs/dbraw/zinc/03/65/06/1124036506.db2.gz AFKHGSLCRJVIPM-UHFFFAOYSA-N 0 1 296.465 3.974 20 0 CHADMN CC(C)c1nc(CSc2n[nH]c(C(C)(C)C)n2)cs1 ZINC000031655306 1124036512 /nfs/dbraw/zinc/03/65/12/1124036512.db2.gz AFKHGSLCRJVIPM-UHFFFAOYSA-N 0 1 296.465 3.974 20 0 CHADMN CCC[C@H](NCc1ccnc(C)c1)c1cc(C)ccn1 ZINC000631634952 1124037740 /nfs/dbraw/zinc/03/77/40/1124037740.db2.gz OVHRNVXOVLCCFW-INIZCTEOSA-N 0 1 269.392 3.724 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2cccc(C)c2C)nn1C ZINC000282017297 1124039797 /nfs/dbraw/zinc/03/97/97/1124039797.db2.gz DULNWLMSXWYWRG-CABCVRRESA-N 0 1 271.408 3.757 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1N(C)Cc1nncn1-c1ccccc1 ZINC000444686165 1124050845 /nfs/dbraw/zinc/05/08/45/1124050845.db2.gz RRMIRBFQRWYIIG-WBVHZDCISA-N 0 1 298.434 3.668 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1N(C)Cc1nc(CC(C)C)no1 ZINC000444664969 1124051151 /nfs/dbraw/zinc/05/11/51/1124051151.db2.gz SJLGZSFYETXQEG-KGLIPLIRSA-N 0 1 279.428 3.669 20 0 CHADMN CN(C)Cc1ccc(N[C@@H]2CCCc3ncccc32)cc1F ZINC000866333112 1124053702 /nfs/dbraw/zinc/05/37/02/1124053702.db2.gz IQHYGJYSLYZOQP-GOSISDBHSA-N 0 1 299.393 3.772 20 0 CHADMN Cc1nc2ccccn2c1CN(C)Cc1cc(C)cc(C)c1 ZINC000444701591 1124054827 /nfs/dbraw/zinc/05/48/27/1124054827.db2.gz HMBFMLUEHQFSFF-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN CSCCCCCN[C@H]1c2ccccc2OC[C@H]1F ZINC000866341948 1124054917 /nfs/dbraw/zinc/05/49/17/1124054917.db2.gz QFJUBSFPMZEUBI-HIFRSBDPSA-N 0 1 283.412 3.581 20 0 CHADMN Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cc(C)ccc1F ZINC000444743741 1124058781 /nfs/dbraw/zinc/05/87/81/1124058781.db2.gz MMWHOKXKDWNCNZ-UHFFFAOYSA-N 0 1 289.398 3.551 20 0 CHADMN CC(C)[C@H](N[C@@H]1CCCC[C@H]1F)c1ccccn1 ZINC000866376090 1124059289 /nfs/dbraw/zinc/05/92/89/1124059289.db2.gz RPMXEZYHGYZDSV-NFAWXSAZSA-N 0 1 250.361 3.649 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN2CCC[C@H](C(C)C)C2)c1 ZINC000444774077 1124062184 /nfs/dbraw/zinc/06/21/84/1124062184.db2.gz UTMWEPACSLOZGX-INIZCTEOSA-N 0 1 288.435 3.610 20 0 CHADMN Cc1nccnc1CN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000621331818 1129163995 /nfs/dbraw/zinc/16/39/95/1129163995.db2.gz PHUFLSIKINUDIY-INIZCTEOSA-N 0 1 287.382 3.801 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1CCCC12CCC2 ZINC000444786467 1124065574 /nfs/dbraw/zinc/06/55/74/1124065574.db2.gz UTXBZOGDYPUDPE-UHFFFAOYSA-N 0 1 292.810 3.605 20 0 CHADMN CSCCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000195548974 1124066172 /nfs/dbraw/zinc/06/61/72/1124066172.db2.gz KFIDKKUZLIMLBQ-FZMZJTMJSA-N 0 1 265.422 3.730 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3)[nH]n2)o1 ZINC000195601280 1124066959 /nfs/dbraw/zinc/06/69/59/1124066959.db2.gz GQYYBOYSTSGOSB-UHFFFAOYSA-N 0 1 281.315 3.539 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@@H]1CCCC[C@@H]1F ZINC000866450771 1124067602 /nfs/dbraw/zinc/06/76/02/1124067602.db2.gz ZGKHTJDZVCFAEX-KWCYVHTRSA-N 0 1 250.361 3.575 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccnc(F)c2)cc1Cl ZINC000866472523 1124068773 /nfs/dbraw/zinc/06/87/73/1124068773.db2.gz ASGGMKRNMWJQFM-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN CC[C@H](c1ccccc1)N(Cc1nnc(C)[nH]1)CC(C)C ZINC000428380904 1124069497 /nfs/dbraw/zinc/06/94/97/1124069497.db2.gz ZXXYJYKOUASSIU-MRXNPFEDSA-N 0 1 286.423 3.722 20 0 CHADMN CCCc1ccc(CN[C@@H](CO)c2ccc(F)cc2)s1 ZINC000621336046 1129164277 /nfs/dbraw/zinc/16/42/77/1129164277.db2.gz IQPCLYWJCKLTJF-INIZCTEOSA-N 0 1 293.407 3.663 20 0 CHADMN Cc1nc(CN(C)c2ccc(Oc3ccccc3)cc2)n[nH]1 ZINC000428387494 1124073358 /nfs/dbraw/zinc/07/33/58/1124073358.db2.gz GMBLQKIKOPCDSH-UHFFFAOYSA-N 0 1 294.358 3.542 20 0 CHADMN CC(C)C[C@@H]1CCN(Cc2c(F)ccc(O)c2F)C1 ZINC000508516365 1124073477 /nfs/dbraw/zinc/07/34/77/1124073477.db2.gz MIERVCCBKUYGFN-NSHDSACASA-N 0 1 269.335 3.538 20 0 CHADMN Cc1[nH]ncc1[C@H](C)Nc1ccc(F)c(C(F)F)c1 ZINC000866507175 1124074521 /nfs/dbraw/zinc/07/45/21/1124074521.db2.gz AJSBTLKWNGBMIG-ZETCQYMHSA-N 0 1 269.270 3.968 20 0 CHADMN CCCc1nc(C)c(CN2CCC[C@@H]2c2ccc[nH]2)o1 ZINC000428390402 1124074647 /nfs/dbraw/zinc/07/46/47/1124074647.db2.gz UAWQPECVISNCFV-CQSZACIVSA-N 0 1 273.380 3.601 20 0 CHADMN CC(C)c1nc(CN2CCCc3cc(Cl)ccc32)n[nH]1 ZINC000428393783 1124076234 /nfs/dbraw/zinc/07/62/34/1124076234.db2.gz ZZBUUZJERZKZKB-UHFFFAOYSA-N 0 1 290.798 3.534 20 0 CHADMN C[C@@H](N[C@H]1CCC[C@H]2C[C@H]21)c1noc(-c2ccccc2)n1 ZINC000367194618 1124076581 /nfs/dbraw/zinc/07/65/81/1124076581.db2.gz ZWQNDQMFBQMRKO-BEAPCOKYSA-N 0 1 283.375 3.576 20 0 CHADMN CCC(C)(C)CCSCc1n[nH]c(C2CC2)n1 ZINC000447051142 1124130801 /nfs/dbraw/zinc/13/08/01/1124130801.db2.gz ROKJMDVHHYUFBW-UHFFFAOYSA-N 0 1 253.415 3.742 20 0 CHADMN CCc1nc(CN2CCC[C@H](C(C)(C)C)C2)cs1 ZINC000475626772 1124080501 /nfs/dbraw/zinc/08/05/01/1124080501.db2.gz RJTHDIRTRORIBS-LBPRGKRZSA-N 0 1 266.454 3.964 20 0 CHADMN CC[C@H](CN[C@@H](C)c1cc(C)on1)Oc1ccccc1F ZINC000284208184 1124087677 /nfs/dbraw/zinc/08/76/77/1124087677.db2.gz SMHHWLZSZWGUBI-QWHCGFSZSA-N 0 1 292.354 3.630 20 0 CHADMN Cc1nc(C(C)C)sc1[C@@H](C)N[C@H](C)c1ccnn1C ZINC000866612138 1124088165 /nfs/dbraw/zinc/08/81/65/1124088165.db2.gz CQVFMQVLTYQMRU-GHMZBOCLSA-N 0 1 292.452 3.720 20 0 CHADMN C[C@H](N[C@@H]1CCc2cc(F)c(Cl)cc21)c1ccnn1C ZINC000866614224 1124089492 /nfs/dbraw/zinc/08/94/92/1124089492.db2.gz LTKMLQQFCFUNGK-LKFCYVNXSA-N 0 1 293.773 3.551 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2cccnc21)c1cc2cnccc2o1 ZINC000866619744 1124090212 /nfs/dbraw/zinc/09/02/12/1124090212.db2.gz HYRYGAJMPMDVPM-IUODEOHRSA-N 0 1 293.370 3.951 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncs1)c1cc2cnccc2o1 ZINC000866619079 1124090279 /nfs/dbraw/zinc/09/02/79/1124090279.db2.gz CSQYDHHJILBSDK-ZJUUUORDSA-N 0 1 273.361 3.696 20 0 CHADMN CCCc1ccc(CN[C@@H](CCO)c2ccco2)s1 ZINC000621344611 1129165904 /nfs/dbraw/zinc/16/59/04/1129165904.db2.gz NHVFLUKYALMUCA-AWEZNQCLSA-N 0 1 279.405 3.507 20 0 CHADMN COc1cc(C)ccc1CNCc1cc(C)oc1C ZINC000121715476 1124099887 /nfs/dbraw/zinc/09/98/87/1124099887.db2.gz AYMDHWMFPSXEFQ-UHFFFAOYSA-N 0 1 259.349 3.503 20 0 CHADMN c1ncn(Cc2ccccc2)c1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000445811637 1124101820 /nfs/dbraw/zinc/10/18/20/1124101820.db2.gz RPARUNKTYBUKQU-HKUYNNGSSA-N 0 1 295.430 3.696 20 0 CHADMN Cc1cccc([C@H](C)N2CCc3ncsc3C2)c1 ZINC000445876567 1124105753 /nfs/dbraw/zinc/10/57/53/1124105753.db2.gz XGQNEUVBQQFIEE-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CCCCC(C)(C)C1 ZINC000446076609 1124109182 /nfs/dbraw/zinc/10/91/82/1124109182.db2.gz BSWLMFNWEQXIJC-NSHDSACASA-N 0 1 263.385 3.520 20 0 CHADMN Clc1cncc(CN2CCC(C3CCC3)CC2)c1 ZINC000621315503 1129167123 /nfs/dbraw/zinc/16/71/23/1129167123.db2.gz OBGZGJZWZKSNMB-UHFFFAOYSA-N 0 1 264.800 3.747 20 0 CHADMN CC(C)n1ccc(CN2CC[C@@](C)(c3ccccc3)C2)n1 ZINC000446732435 1124119453 /nfs/dbraw/zinc/11/94/53/1124119453.db2.gz RHQZACPNORPHNO-GOSISDBHSA-N 0 1 283.419 3.628 20 0 CHADMN C[C@]1(c2ccccc2)CCN(Cc2cn3ccsc3n2)C1 ZINC000446722959 1124120142 /nfs/dbraw/zinc/12/01/42/1124120142.db2.gz LKLSYTCZBXYFSU-KRWDZBQOSA-N 0 1 297.427 3.559 20 0 CHADMN CC(C)[C@H]1CCN([C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000446718635 1124120455 /nfs/dbraw/zinc/12/04/55/1124120455.db2.gz ZNHPZRZRWJAGEM-ZBFHGGJFSA-N 0 1 299.418 3.699 20 0 CHADMN CCC1(CC)CCN(CC(=O)Nc2cccc(C)c2C)C1 ZINC000446726183 1124120508 /nfs/dbraw/zinc/12/05/08/1124120508.db2.gz NHPRYWYROLTJSM-UHFFFAOYSA-N 0 1 288.435 3.754 20 0 CHADMN CC(C)[C@H]1CCN([C@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000446726454 1124120637 /nfs/dbraw/zinc/12/06/37/1124120637.db2.gz OTTPVPRDKWWFOV-OLZOCXBDSA-N 0 1 294.826 3.645 20 0 CHADMN CCc1nc(C)c(CN(CC)Cc2ccc(OC)cc2)o1 ZINC000428453095 1124123497 /nfs/dbraw/zinc/12/34/97/1124123497.db2.gz FEHLQXVDURNSKC-UHFFFAOYSA-N 0 1 288.391 3.576 20 0 CHADMN CC(C)C[C@@H]1CCCCCN1C(=O)c1[nH]nc2ccccc21 ZINC000525362308 1124124268 /nfs/dbraw/zinc/12/42/68/1124124268.db2.gz LJVYUGUDLCIGDJ-AWEZNQCLSA-N 0 1 299.418 3.994 20 0 CHADMN Fc1cccc(CCN(CCC(F)(F)F)C2CC2)c1 ZINC000525409467 1124127472 /nfs/dbraw/zinc/12/74/72/1124127472.db2.gz ZFUAEPJCFQZRNK-UHFFFAOYSA-N 0 1 275.289 3.785 20 0 CHADMN CCCN(Cc1oc(CC)nc1C)Cc1ccccc1 ZINC000428457529 1124127982 /nfs/dbraw/zinc/12/79/82/1124127982.db2.gz BAXBUGBZZJJVTK-UHFFFAOYSA-N 0 1 272.392 3.958 20 0 CHADMN C[C@H](NC(=O)c1sccc1CN(C)C)C1CCCCC1 ZINC000446917712 1124128230 /nfs/dbraw/zinc/12/82/30/1124128230.db2.gz DFSXEJFTQCPZST-LBPRGKRZSA-N 0 1 294.464 3.508 20 0 CHADMN CC[C@H](N[C@@H](CO)c1cccc(F)c1)c1cccc(F)c1 ZINC000446926609 1124128597 /nfs/dbraw/zinc/12/85/97/1124128597.db2.gz ZJLJCFOEBVZZQH-IRXDYDNUSA-N 0 1 291.341 3.739 20 0 CHADMN C(=C\c1ccccc1)\CSCc1n[nH]c(C2CC2)n1 ZINC000447049735 1124130861 /nfs/dbraw/zinc/13/08/61/1124130861.db2.gz WLGIWHLVCMWEPO-DAXSKMNVSA-N 0 1 271.389 3.629 20 0 CHADMN C[C@H](Cc1ccsc1)[NH2+]Cc1cccc([O-])c1Cl ZINC000385706851 1129174555 /nfs/dbraw/zinc/17/45/55/1129174555.db2.gz GRYWLKUWJUUTII-SNVBAGLBSA-N 0 1 281.808 3.828 20 0 CHADMN O=C(C=C1CCC1)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000087156981 1129176324 /nfs/dbraw/zinc/17/63/24/1129176324.db2.gz DMLNLRKUXFGJAT-UHFFFAOYSA-N 0 1 293.326 3.872 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000414686135 1129176575 /nfs/dbraw/zinc/17/65/75/1129176575.db2.gz UTKPDBHPFQKSTQ-KBPBESRZSA-N 0 1 255.402 3.532 20 0 CHADMN CCN(c1ccc(NCC2(O)CCCC2)cc1)C(C)C ZINC000819399425 1131244586 /nfs/dbraw/zinc/24/45/86/1131244586.db2.gz VUQDRYZXOPXCQS-UHFFFAOYSA-N 0 1 276.424 3.638 20 0 CHADMN Cc1cc(F)cc(CN2C[C@H]3CC[C@@H]2C3)c1Cl ZINC001238781151 1131244919 /nfs/dbraw/zinc/24/49/19/1131244919.db2.gz LADGUJLEKKSNKP-GXFFZTMASA-N 0 1 253.748 3.772 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@H+]1CC[C@@](C)(CF)C1 ZINC001238781767 1131246461 /nfs/dbraw/zinc/24/64/61/1131246461.db2.gz UPKTWQJSNATHOA-AWEZNQCLSA-N 0 1 273.754 3.969 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CC[C@@](C)(CF)C1 ZINC001238781767 1131246464 /nfs/dbraw/zinc/24/64/64/1131246464.db2.gz UPKTWQJSNATHOA-AWEZNQCLSA-N 0 1 273.754 3.969 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@H+]1CC[C@](C)(CF)C1 ZINC001238781769 1131246733 /nfs/dbraw/zinc/24/67/33/1131246733.db2.gz UPKTWQJSNATHOA-CQSZACIVSA-N 0 1 273.754 3.969 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CC[C@](C)(CF)C1 ZINC001238781769 1131246738 /nfs/dbraw/zinc/24/67/38/1131246738.db2.gz UPKTWQJSNATHOA-CQSZACIVSA-N 0 1 273.754 3.969 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN(C)CCc1ccncc1 ZINC001238785361 1131248159 /nfs/dbraw/zinc/24/81/59/1131248159.db2.gz PMOXYADFKRSNFU-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN CC(C)Oc1cc(CN(C(C)C)C(C)C)c(F)cn1 ZINC001238794515 1131249705 /nfs/dbraw/zinc/24/97/05/1131249705.db2.gz QINWMVAIDDFOCU-UHFFFAOYSA-N 0 1 268.376 3.627 20 0 CHADMN O=c1cc(C2CCC2)[nH]n1-c1cccc(Br)c1 ZINC001245926204 1131250525 /nfs/dbraw/zinc/25/05/25/1131250525.db2.gz SMQQHRUMSDASTL-UHFFFAOYSA-N 0 1 293.164 3.608 20 0 CHADMN CC(C)Cc1cc(=O)n(-c2cccc(F)c2Cl)[nH]1 ZINC001245931608 1131253141 /nfs/dbraw/zinc/25/31/41/1131253141.db2.gz AANMSVJINQFDBH-UHFFFAOYSA-N 0 1 268.719 3.569 20 0 CHADMN CC(C)(C)C=CC(=O)Nc1ccccc1Nc1ccncc1 ZINC000819580884 1131255062 /nfs/dbraw/zinc/25/50/62/1131255062.db2.gz RMGRRASWYIEVNW-FLIBITNWSA-N 0 1 295.386 3.788 20 0 CHADMN CO[C@H]1CN(Cc2ccc(C)cc2Cl)CC[C@H]1C ZINC000447273361 1124458013 /nfs/dbraw/zinc/45/80/13/1124458013.db2.gz UZLUCYXQELBBHI-DOMZBBRYSA-N 0 1 267.800 3.505 20 0 CHADMN C[C@H]1CCCN(Cc2cccc(Cl)c2Cl)[C@@H]1CO ZINC000447311254 1124460857 /nfs/dbraw/zinc/46/08/57/1124460857.db2.gz GIRBJWDNYMCELA-GXFFZTMASA-N 0 1 288.218 3.586 20 0 CHADMN Cc1ccc(CN2CCOCC3(CCC3)C2)c(Cl)c1 ZINC000447311852 1124460973 /nfs/dbraw/zinc/46/09/73/1124460973.db2.gz DAOBGUMWVCHQHS-UHFFFAOYSA-N 0 1 279.811 3.651 20 0 CHADMN CC(C)O[C@H](CN(C)Cc1ccco1)c1ccccc1 ZINC000428480162 1124466568 /nfs/dbraw/zinc/46/65/68/1124466568.db2.gz BMNSYOHGGNYFHM-QGZVFWFLSA-N 0 1 273.376 3.878 20 0 CHADMN Cc1oncc1CN1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000525835250 1124470168 /nfs/dbraw/zinc/47/01/68/1124470168.db2.gz DMVFHEGITNGMSJ-BZNIZROVSA-N 0 1 274.339 3.705 20 0 CHADMN CCN(Cc1ccccc1C)[C@@H](C)c1cnc(C)cn1 ZINC000428482946 1124472051 /nfs/dbraw/zinc/47/20/51/1124472051.db2.gz ITNXMPREOASXNQ-HNNXBMFYSA-N 0 1 269.392 3.677 20 0 CHADMN Cc1nnsc1[C@@H](C)N[C@@H](c1ccccc1C)C1CC1 ZINC001119698969 1131262149 /nfs/dbraw/zinc/26/21/49/1131262149.db2.gz YYXYHHKCZCJPQK-IAQYHMDHSA-N 0 1 287.432 3.957 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2snnc2C)s1 ZINC001119731552 1131263104 /nfs/dbraw/zinc/26/31/04/1131263104.db2.gz FHBOGBMKPOOHOV-DTWKUNHWSA-N 0 1 267.423 3.628 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CCN(CC(F)F)CC1 ZINC000428489765 1124489204 /nfs/dbraw/zinc/48/92/04/1124489204.db2.gz XEKQFOJXLARHMT-HNNXBMFYSA-N 0 1 288.426 3.642 20 0 CHADMN CCc1cnc(CN2CC[C@@H](c3ccc(F)cc3)C2)s1 ZINC000526007259 1124491817 /nfs/dbraw/zinc/49/18/17/1124491817.db2.gz LFYQRZFKPCZSBK-CYBMUJFWSA-N 0 1 290.407 3.834 20 0 CHADMN C[C@@H](NCc1ccc(C2CCC2)cc1)c1ccnn1C ZINC000447590530 1124494032 /nfs/dbraw/zinc/49/40/32/1124494032.db2.gz DGHHLZDUTBLXKY-CYBMUJFWSA-N 0 1 269.392 3.538 20 0 CHADMN CCc1ccc([C@@H](CO)N[C@@H]2CCCc3occc32)cc1 ZINC000447575467 1124495631 /nfs/dbraw/zinc/49/56/31/1124495631.db2.gz SWAAQXYNYGHIMR-IAGOWNOFSA-N 0 1 285.387 3.543 20 0 CHADMN CC(C)O[C@H](CN1C[C@H](C)O[C@@H](C)[C@H]1C)c1ccccc1 ZINC000428491093 1124500953 /nfs/dbraw/zinc/50/09/53/1124500953.db2.gz SGDLGWNJWCZAMO-UIBIWLFHSA-N 0 1 291.435 3.650 20 0 CHADMN COc1ccc([C@@H](C)NCc2ncccc2C)cc1C ZINC001119867001 1131264893 /nfs/dbraw/zinc/26/48/93/1131264893.db2.gz VSRYKPPFRCVXRT-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](n3cccn3)C2)cc1Cl ZINC000447731142 1124513595 /nfs/dbraw/zinc/51/35/95/1124513595.db2.gz METQCDPUQQIRMZ-OAHLLOKOSA-N 0 1 289.810 3.682 20 0 CHADMN CC(C)N(Cc1cnc(C(F)(F)F)s1)C1CC1 ZINC000447732496 1124516798 /nfs/dbraw/zinc/51/67/98/1124516798.db2.gz PNSOCDXZHWLDDA-UHFFFAOYSA-N 0 1 264.316 3.535 20 0 CHADMN CC[C@H](C)CN(C)Cc1cnc(C(F)(F)F)s1 ZINC000447734864 1124518479 /nfs/dbraw/zinc/51/84/79/1124518479.db2.gz ZTIRWTGRXDXTKX-QMMMGPOBSA-N 0 1 266.332 3.640 20 0 CHADMN C=Cn1cc(CN(C)Cc2ccc3ccccc3c2)cn1 ZINC000447797060 1124525252 /nfs/dbraw/zinc/52/52/52/1124525252.db2.gz FZNAPHJMMAVYRK-UHFFFAOYSA-N 0 1 277.371 3.769 20 0 CHADMN CC[C@H](O)[C@H]1CCCCN1Cc1ccc(Cl)c(F)c1 ZINC000526942106 1124531020 /nfs/dbraw/zinc/53/10/20/1124531020.db2.gz KCAXBSBXZJKQSI-CABCVRRESA-N 0 1 285.790 3.605 20 0 CHADMN Cc1cnc(CN(C)CCc2cccc3ccccc32)o1 ZINC000173610452 1124534781 /nfs/dbraw/zinc/53/47/81/1124534781.db2.gz PHWIDPQQFDFTPT-UHFFFAOYSA-N 0 1 280.371 3.811 20 0 CHADMN c1nc2cnc(-c3csc4ccccc34)cc2[nH]1 ZINC001238887828 1131266816 /nfs/dbraw/zinc/26/68/16/1131266816.db2.gz ZKEVWEOBCSTAPK-UHFFFAOYSA-N 0 1 251.314 3.840 20 0 CHADMN CC(C)(C)c1cnc(CNCCOC2CCCCC2)s1 ZINC000447937425 1124547121 /nfs/dbraw/zinc/54/71/21/1124547121.db2.gz WVMNITLVMFWKAH-UHFFFAOYSA-N 0 1 296.480 3.880 20 0 CHADMN Cc1ccc(-c2nc(-c3ccn4cncc4c3)no2)cc1C ZINC000447961660 1124549099 /nfs/dbraw/zinc/54/90/99/1124549099.db2.gz CVSPIWKWNOLXJS-UHFFFAOYSA-N 0 1 290.326 3.668 20 0 CHADMN [O-]c1cccc2c(NCCc3ccc(Cl)nc3)cc[nH+]c12 ZINC000795111554 1124560978 /nfs/dbraw/zinc/56/09/78/1124560978.db2.gz JUMAPUITEMVRHP-UHFFFAOYSA-N 0 1 299.761 3.643 20 0 CHADMN [O-]c1cccc2c(N3CCc4c(F)cccc4C3)cc[nH+]c12 ZINC000795117955 1124566599 /nfs/dbraw/zinc/56/65/99/1124566599.db2.gz YUCDGSZLPMNHBM-UHFFFAOYSA-N 0 1 294.329 3.642 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ccn(-c2ccccc2F)n1 ZINC000527324613 1124570455 /nfs/dbraw/zinc/57/04/55/1124570455.db2.gz REUBAWXAAURXKC-OAHLLOKOSA-N 0 1 287.382 3.776 20 0 CHADMN Cc1ccoc1CN(C)C[C@H](O)c1ccc(F)cc1Cl ZINC000795152275 1124589650 /nfs/dbraw/zinc/58/96/50/1124589650.db2.gz QUBOGGKYZGXGAV-AWEZNQCLSA-N 0 1 297.757 3.546 20 0 CHADMN COc1cc(C)cc(CNCc2cc(C)oc2C)c1 ZINC000123364478 1124589701 /nfs/dbraw/zinc/58/97/01/1124589701.db2.gz UZUWXKATYKNPHD-UHFFFAOYSA-N 0 1 259.349 3.503 20 0 CHADMN CCc1onc(C)c1CNCc1ccc(C)cc1SC ZINC001120035218 1131271387 /nfs/dbraw/zinc/27/13/87/1131271387.db2.gz SHEQEYGKLFKRAY-UHFFFAOYSA-N 0 1 290.432 3.866 20 0 CHADMN CC(C)C[C@H]1CCCCN1Cc1nnc(C(C)(C)C)o1 ZINC000123659224 1124617203 /nfs/dbraw/zinc/61/72/03/1124617203.db2.gz WCJVJZJGQIXHGE-CYBMUJFWSA-N 0 1 279.428 3.768 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000871621961 1124620622 /nfs/dbraw/zinc/62/06/22/1124620622.db2.gz UREAVJLQPUGDHY-HRCADAONSA-N 0 1 279.424 3.556 20 0 CHADMN Cc1ccoc1CN(C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000795182805 1124623284 /nfs/dbraw/zinc/62/32/84/1124623284.db2.gz YQWXGGBEAOPNFW-CQSZACIVSA-N 0 1 297.757 3.546 20 0 CHADMN c1cc(CN2CCC[C@@H]3CCC[C@H]32)n(C2CCCC2)n1 ZINC000449017144 1124630009 /nfs/dbraw/zinc/63/00/09/1124630009.db2.gz HHKQYBNGIAFRJL-WMLDXEAASA-N 0 1 273.424 3.763 20 0 CHADMN COc1cccc2c(CN3CCO[C@@H]4CCC[C@@H]43)cccc12 ZINC000449019427 1124630053 /nfs/dbraw/zinc/63/00/53/1124630053.db2.gz WIFKAOKHWLDZPR-PKOBYXMFSA-N 0 1 297.398 3.602 20 0 CHADMN CC(C)[C@@](C)(Cc1ccccc1)c1nc(C2(N)CCC2)no1 ZINC000871786694 1124636341 /nfs/dbraw/zinc/63/63/41/1124636341.db2.gz GNWUWAPPKOXROO-QGZVFWFLSA-N 0 1 299.418 3.564 20 0 CHADMN c1c(-c2nc([C@H]3CCCN3)no2)[nH]c2cccc(C3CC3)c12 ZINC000871789157 1124636740 /nfs/dbraw/zinc/63/67/40/1124636740.db2.gz QTTIKKBYTZGJPC-CQSZACIVSA-N 0 1 294.358 3.520 20 0 CHADMN CC[C@@H](Cc1cccc(C)c1)c1nc([C@@H]2CCCN2)no1 ZINC000871788294 1124637266 /nfs/dbraw/zinc/63/72/66/1124637266.db2.gz LGDUEKKMBFXVCZ-GJZGRUSLSA-N 0 1 285.391 3.539 20 0 CHADMN c1cc(CN[C@H]2CCCc3occc32)n(C2CCCC2)n1 ZINC000449074675 1124645548 /nfs/dbraw/zinc/64/55/48/1124645548.db2.gz LNJDOFLWFZGJDG-INIZCTEOSA-N 0 1 285.391 3.758 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1cc(CO)ccc1F ZINC000528366881 1124649193 /nfs/dbraw/zinc/64/91/93/1124649193.db2.gz PPDTWPJHNAVOTN-UHFFFAOYSA-N 0 1 287.378 3.649 20 0 CHADMN C[C@H]1CCCN(Cc2cccnc2C(F)(F)F)[C@H]1C ZINC000528387338 1124650567 /nfs/dbraw/zinc/65/05/67/1124650567.db2.gz GEMZABTWVDRVMQ-QWRGUYRKSA-N 0 1 272.314 3.721 20 0 CHADMN Cc1c(-c2cc(C(F)(F)F)n[nH]2)cncc1C(F)F ZINC000871886806 1124651236 /nfs/dbraw/zinc/65/12/36/1124651236.db2.gz DUYQJJJYWMEPOL-UHFFFAOYSA-N 0 1 277.196 3.737 20 0 CHADMN Cc1ccc(C[NH2+][C@@H](CC(=O)[O-])c2ccccc2Cl)o1 ZINC000871883428 1124651275 /nfs/dbraw/zinc/65/12/75/1124651275.db2.gz NDIHFENZSBCTMP-AWEZNQCLSA-N 0 1 293.750 3.547 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCCN1Cc1cccc(F)c1Cl ZINC000123879253 1124652049 /nfs/dbraw/zinc/65/20/49/1124652049.db2.gz VKPAXDIKRMEFNB-YPMHNXCESA-N 0 1 285.790 3.605 20 0 CHADMN C/C(Cl)=C\CN1CCC(N(C)c2ccccc2)CC1 ZINC000528395789 1124652662 /nfs/dbraw/zinc/65/26/62/1124652662.db2.gz FGFXWATWVZNDOP-RIYZIHGNSA-N 0 1 278.827 3.730 20 0 CHADMN FC(F)(F)c1ncccc1CN1CCC[C@H]2CCC[C@H]21 ZINC000528393904 1124653430 /nfs/dbraw/zinc/65/34/30/1124653430.db2.gz WFCOEFDAHQSPRL-DGCLKSJQSA-N 0 1 284.325 3.865 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(C(F)(F)F)nc1)c1ccncc1 ZINC000871934304 1124653455 /nfs/dbraw/zinc/65/34/55/1124653455.db2.gz GOMKZJILAHPCSO-GHMZBOCLSA-N 0 1 295.308 3.907 20 0 CHADMN CCn1nnc(C)c1CN[C@H]1CCC(C)(C)c2ccccc21 ZINC000449131908 1124654001 /nfs/dbraw/zinc/65/40/01/1124654001.db2.gz QGJLLHAPWPLGNR-INIZCTEOSA-N 0 1 298.434 3.509 20 0 CHADMN CC(C)[C@@H]1CCc2[nH]n(-c3cccnc3Cl)c(=O)c2C1 ZINC000871952625 1124654416 /nfs/dbraw/zinc/65/44/16/1124654416.db2.gz ITESZPZUVVTPSF-GHMZBOCLSA-N 0 1 291.782 3.510 20 0 CHADMN CC(C)[C@H]1CCc2[nH]n(-c3ccc(Cl)nc3)c(=O)c2C1 ZINC000871955346 1124654446 /nfs/dbraw/zinc/65/44/46/1124654446.db2.gz YHBJJAKKLJPDCZ-CMPLNLGQSA-N 0 1 291.782 3.510 20 0 CHADMN Cc1cc(CNC2(c3ccc(F)cc3)CC2)cs1 ZINC000449133664 1124654704 /nfs/dbraw/zinc/65/47/04/1124654704.db2.gz DXSTXWDDPGNEDU-UHFFFAOYSA-N 0 1 261.365 3.975 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cc(O)ccc2F)cc1 ZINC000872019423 1124657673 /nfs/dbraw/zinc/65/76/73/1124657673.db2.gz WOHZHOHYPNGWAZ-LBPRGKRZSA-N 0 1 259.324 3.691 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cc(O)ccc2F)cc1 ZINC000872029210 1124660548 /nfs/dbraw/zinc/66/05/48/1124660548.db2.gz PAMANTOGKUCDBT-VXGBXAGGSA-N 0 1 289.350 3.952 20 0 CHADMN CSCC1CCC(NCc2nnc(C(C)C)s2)CC1 ZINC000449184556 1124666955 /nfs/dbraw/zinc/66/69/55/1124666955.db2.gz DYMOAZSYWNIUHM-UHFFFAOYSA-N 0 1 299.509 3.673 20 0 CHADMN COc1cccc2c1CC[C@H]2NCc1cc2cccnc2o1 ZINC000449186309 1124667027 /nfs/dbraw/zinc/66/70/27/1124667027.db2.gz KNPQKALITYHYNU-MRXNPFEDSA-N 0 1 294.354 3.614 20 0 CHADMN C[C@H]1CCCCN(Cc2cccnc2C(F)(F)F)C1 ZINC000528457915 1124669530 /nfs/dbraw/zinc/66/95/30/1124669530.db2.gz QLYMIXNSCTWFND-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN CN1Cc2ccc(NCc3ccnn3C3CCCC3)cc2C1 ZINC000449219172 1124673231 /nfs/dbraw/zinc/67/32/31/1124673231.db2.gz CMISIVQIBPYSPM-UHFFFAOYSA-N 0 1 296.418 3.556 20 0 CHADMN CC[C@@H](CCC(F)(F)F)N[C@@H]1CCCC1(F)F ZINC000872069978 1124673497 /nfs/dbraw/zinc/67/34/97/1124673497.db2.gz AYVNWFPGXPLDPA-DTWKUNHWSA-N 0 1 259.262 3.885 20 0 CHADMN C[C@@H](N[C@@H]1CCCCc2ccccc2C1)c1csnn1 ZINC000872081182 1124677351 /nfs/dbraw/zinc/67/73/51/1124677351.db2.gz WOHLUFVQQYTHDB-IUODEOHRSA-N 0 1 287.432 3.526 20 0 CHADMN CO[C@@]1(C)CCCN(Cc2nc3cc(C)ccc3s2)C1 ZINC000528486793 1124678863 /nfs/dbraw/zinc/67/88/63/1124678863.db2.gz XFQQHKJOXPOZST-INIZCTEOSA-N 0 1 290.432 3.606 20 0 CHADMN Fc1ccc([C@H](NCCC[C@@H]2C=CCC2)c2ncc[nH]2)cc1 ZINC000872107567 1124684860 /nfs/dbraw/zinc/68/48/60/1124684860.db2.gz MUYVDAGVAKRZPR-PBHICJAKSA-N 0 1 299.393 3.974 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CCN1Cc1ccncc1F ZINC000449299659 1124685575 /nfs/dbraw/zinc/68/55/75/1124685575.db2.gz BKDYMWVNMKLSGB-GDBMZVCRSA-N 0 1 284.378 3.989 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)N[C@@H](C)c1nccnc1C ZINC000872130449 1124690776 /nfs/dbraw/zinc/69/07/76/1124690776.db2.gz IBHRAEWSIUSTNR-AAEUAGOBSA-N 0 1 273.355 3.644 20 0 CHADMN Cc1cc(CN[C@@H]2c3ccc(F)cc3O[C@@H]2C)cs1 ZINC000449332340 1124690982 /nfs/dbraw/zinc/69/09/82/1124690982.db2.gz RFEGOWFVYXKBRX-BMIGLBTASA-N 0 1 277.364 3.807 20 0 CHADMN Clc1cccnc1CN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000528558273 1124693798 /nfs/dbraw/zinc/69/37/98/1124693798.db2.gz RGGNGGCOSRIJFQ-CZUORRHYSA-N 0 1 294.826 3.516 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H](C)c1cc2c(s1)CCC2 ZINC000872135682 1124694086 /nfs/dbraw/zinc/69/40/86/1124694086.db2.gz XXTQTRCAGYXVKM-PWSUYJOCSA-N 0 1 287.432 3.747 20 0 CHADMN Fc1ccccc1-c1ncc(CN[C@H]2CCC[C@H]2F)s1 ZINC000449343276 1124694654 /nfs/dbraw/zinc/69/46/54/1124694654.db2.gz JECKDPHBBKZGNQ-KGLIPLIRSA-N 0 1 294.370 3.929 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000872156532 1124695454 /nfs/dbraw/zinc/69/54/54/1124695454.db2.gz BJVJCVYARHUYMI-GFCCVEGCSA-N 0 1 289.400 3.682 20 0 CHADMN c1cc2cccc(CN3C[C@]4(CCCO4)[C@@H]3C3CC3)c2o1 ZINC000449344954 1124695987 /nfs/dbraw/zinc/69/59/87/1124695987.db2.gz SSMIEDPMLHNRNO-ZWKOTPCHSA-N 0 1 283.371 3.576 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1c(C)ccc2cc(C)ccc21 ZINC000872161944 1124696492 /nfs/dbraw/zinc/69/64/92/1124696492.db2.gz IGLISCCMJROIKA-QGZVFWFLSA-N 0 1 285.387 3.752 20 0 CHADMN Cc1ccc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC000872159137 1124696811 /nfs/dbraw/zinc/69/68/11/1124696811.db2.gz OKMAZNAKTSZDGR-UNEWFSDZSA-N 0 1 287.403 3.846 20 0 CHADMN C[C@H](C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21)CC(C)(C)C ZINC000872161424 1124697169 /nfs/dbraw/zinc/69/71/69/1124697169.db2.gz SWAKDEFLEKUFRR-ZQDZILKHSA-N 0 1 281.440 3.634 20 0 CHADMN C[C@H]1CCC[C@@H](CC[N@H+]2CC[C@]3(C(=O)[O-])CCC[C@H]23)C1 ZINC000872167493 1124697262 /nfs/dbraw/zinc/69/72/62/1124697262.db2.gz DOHPPWAVBNNHPT-QBYUYEEZSA-N 0 1 279.424 3.532 20 0 CHADMN Clc1cncc(CN2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872259972 1124700127 /nfs/dbraw/zinc/70/01/27/1124700127.db2.gz MDFIBYFJIYHGIQ-INIZCTEOSA-N 0 1 294.826 3.659 20 0 CHADMN Clc1cccc(CN2CCC[C@@H](OC3CCC3)CC2)n1 ZINC000872278387 1124700976 /nfs/dbraw/zinc/70/09/76/1124700976.db2.gz OZCRDUAURIMXOW-OAHLLOKOSA-N 0 1 294.826 3.659 20 0 CHADMN CCC[C@@H](CNCc1ncc(-c2ccccc2)s1)OC ZINC000449376710 1124705850 /nfs/dbraw/zinc/70/58/50/1124705850.db2.gz MOGKYOQKLSKPDE-AWEZNQCLSA-N 0 1 290.432 3.715 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(F)c(C)c2)nc1 ZINC000449374164 1124706645 /nfs/dbraw/zinc/70/66/45/1124706645.db2.gz XPYVMRFZCDOCON-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN CCc1cc(CN2CCC[C@H]2c2cccc(C)c2)on1 ZINC001203212539 1124707957 /nfs/dbraw/zinc/70/79/57/1124707957.db2.gz OVBPIDOOJDDSSA-KRWDZBQOSA-N 0 1 270.376 3.883 20 0 CHADMN FCC(CF)N[C@@H]1CCC[C@@H]1CCc1ccccc1 ZINC000449378888 1124717761 /nfs/dbraw/zinc/71/77/61/1124717761.db2.gz GKHYZFJNLUJCJB-GDBMZVCRSA-N 0 1 267.363 3.685 20 0 CHADMN Cc1csc([C@H]2CCN(c3ccnc(C)c3Cl)C2)n1 ZINC000872737622 1124726970 /nfs/dbraw/zinc/72/69/70/1124726970.db2.gz VLXKGIPQZDVWGT-NSHDSACASA-N 0 1 293.823 3.802 20 0 CHADMN C[C@H](NCc1cccc(F)c1)c1ccnc(Cl)c1 ZINC000124319060 1124732940 /nfs/dbraw/zinc/73/29/40/1124732940.db2.gz NYDIGPFCCNIOTQ-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN FC(F)(F)c1ccccc1CN1CC[C@H]1C1CC1 ZINC000449422024 1124739689 /nfs/dbraw/zinc/73/96/89/1124739689.db2.gz CAVJIHOYOBDEHP-ZDUSSCGKSA-N 0 1 255.283 3.690 20 0 CHADMN CC(C)OC1(CNCc2ncc(C(C)C)s2)CCC1 ZINC000873167016 1124744829 /nfs/dbraw/zinc/74/48/29/1124744829.db2.gz MDLASGMIYHXJJF-UHFFFAOYSA-N 0 1 282.453 3.704 20 0 CHADMN CC(C)OC1(CNCc2ncc(C(C)(C)C)s2)CCC1 ZINC000873167622 1124745815 /nfs/dbraw/zinc/74/58/15/1124745815.db2.gz MJZJMJUIOCZSHI-UHFFFAOYSA-N 0 1 296.480 3.878 20 0 CHADMN CC(C)CC(=O)CCN([C@@H](C)c1ccco1)C1CC1 ZINC000828081829 1124745907 /nfs/dbraw/zinc/74/59/07/1124745907.db2.gz CUVGLBQNLBYZBW-ZDUSSCGKSA-N 0 1 263.381 3.810 20 0 CHADMN C[C@H](NCc1ccoc1)c1ccc(C(F)(F)F)nc1 ZINC000873186225 1124747858 /nfs/dbraw/zinc/74/78/58/1124747858.db2.gz JHSZWNYOLPRHIP-VIFPVBQESA-N 0 1 270.254 3.544 20 0 CHADMN CSc1cc(-c2cccn3cncc23)ccc1F ZINC001238968150 1131281760 /nfs/dbraw/zinc/28/17/60/1131281760.db2.gz YFCCZOLURYTBHJ-UHFFFAOYSA-N 0 1 258.321 3.862 20 0 CHADMN CC(C)CCn1nc(CNCc2cc[nH]c2)c2ccccc21 ZINC000449489569 1124766738 /nfs/dbraw/zinc/76/67/38/1124766738.db2.gz SHYBSZVSRGNCKH-UHFFFAOYSA-N 0 1 296.418 3.700 20 0 CHADMN CCO[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)C[C@H]1C ZINC000449494231 1124767924 /nfs/dbraw/zinc/76/79/24/1124767924.db2.gz GIDMOSBHLHGIAJ-IAQYHMDHSA-N 0 1 285.790 3.726 20 0 CHADMN CCO[C@H]1CCN(Cc2cc3c(cccc3F)[nH]2)C[C@H]1C ZINC000449498823 1124772796 /nfs/dbraw/zinc/77/27/96/1124772796.db2.gz LTFBQHRNQNQNQE-PXAZEXFGSA-N 0 1 290.382 3.554 20 0 CHADMN CCO[C@@H]1CCN(Cc2cc(Cl)ccc2OC)C[C@H]1C ZINC000449500165 1124773000 /nfs/dbraw/zinc/77/30/00/1124773000.db2.gz UPRBZKMYZIYRTF-IUODEOHRSA-N 0 1 297.826 3.596 20 0 CHADMN CCOc1cc(C)c(-c2ccc(CN(C)C)c(F)c2)cn1 ZINC001238979076 1131283833 /nfs/dbraw/zinc/28/38/33/1131283833.db2.gz MOJZPQYDTGGOOT-UHFFFAOYSA-N 0 1 288.366 3.656 20 0 CHADMN Cc1n[nH]cc1CN[C@H](Cc1ccccc1C)c1ccco1 ZINC000820841430 1131305955 /nfs/dbraw/zinc/30/59/55/1131305955.db2.gz KYZKLVQLJSRWQR-QGZVFWFLSA-N 0 1 295.386 3.693 20 0 CHADMN C[C@@H](NC(=O)Nc1ccc2nc[nH]c2c1)C1CCCCC1 ZINC001239198795 1131306296 /nfs/dbraw/zinc/30/62/96/1131306296.db2.gz NJWZZFYDLMNMFI-LLVKDONJSA-N 0 1 286.379 3.653 20 0 CHADMN c1ccc2nc(CN3CCOCC34CCCCC4)ccc2c1 ZINC000449625783 1124825463 /nfs/dbraw/zinc/82/54/63/1124825463.db2.gz UHOYHDPKRRFGGL-UHFFFAOYSA-N 0 1 296.414 3.770 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc(O)c(F)c1 ZINC001204690194 1124843595 /nfs/dbraw/zinc/84/35/95/1124843595.db2.gz MPUXEHNUSOUWCD-DOMZBBRYSA-N 0 1 265.372 3.932 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccc([O-])c(F)c1 ZINC001204690194 1124843603 /nfs/dbraw/zinc/84/36/03/1124843603.db2.gz MPUXEHNUSOUWCD-DOMZBBRYSA-N 0 1 265.372 3.932 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc([O-])c(F)c1 ZINC001204690194 1124843613 /nfs/dbraw/zinc/84/36/13/1124843613.db2.gz MPUXEHNUSOUWCD-DOMZBBRYSA-N 0 1 265.372 3.932 20 0 CHADMN c1snnc1CNC[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000449688863 1124843864 /nfs/dbraw/zinc/84/38/64/1124843864.db2.gz IJOPUHMAXSFASA-GOEBONIOSA-N 0 1 287.432 3.602 20 0 CHADMN Cc1ccc(CN(C)Cc2cccnc2C)cc1C ZINC000449762311 1124859168 /nfs/dbraw/zinc/85/91/68/1124859168.db2.gz HCLXLVFJVLKLLB-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN COCc1ccc(CN(C)Cc2ccc(C)c(C)c2)o1 ZINC000449762279 1124859433 /nfs/dbraw/zinc/85/94/33/1124859433.db2.gz GUCNYGOVHNQUTO-UHFFFAOYSA-N 0 1 273.376 3.675 20 0 CHADMN COc1c(O)cccc1CN(C)Cc1ccc(C)c(C)c1 ZINC000449761928 1124859947 /nfs/dbraw/zinc/85/99/47/1124859947.db2.gz CGJWUJBVJUPPJI-UHFFFAOYSA-N 0 1 285.387 3.650 20 0 CHADMN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1cnc(Cl)s1 ZINC000125487084 1124896388 /nfs/dbraw/zinc/89/63/88/1124896388.db2.gz PYEMMHADZJMJTB-JTQLQIEISA-N 0 1 296.823 3.565 20 0 CHADMN CN(Cc1ccsc1)Cc1ccccc1N1CCCC1 ZINC000120479540 1124938639 /nfs/dbraw/zinc/93/86/39/1124938639.db2.gz PJYRWXLTCNFAGC-UHFFFAOYSA-N 0 1 286.444 3.980 20 0 CHADMN c1cn(CCc2ccccc2)nc1CN1CCCCCC1 ZINC000450242097 1124953877 /nfs/dbraw/zinc/95/38/77/1124953877.db2.gz NYVNFNSNSUGUKB-UHFFFAOYSA-N 0 1 283.419 3.502 20 0 CHADMN CCOc1ccc(CN(C)Cc2cccc(C(C)=O)c2)cc1 ZINC000450237071 1124955241 /nfs/dbraw/zinc/95/52/41/1124955241.db2.gz IXANDRNKVPMNLN-UHFFFAOYSA-N 0 1 297.398 3.920 20 0 CHADMN CC(=O)c1cccc(CN(C)Cc2ccc(C)cc2)c1 ZINC000450237096 1124955697 /nfs/dbraw/zinc/95/56/97/1124955697.db2.gz JEHKYYZYDOIQHG-UHFFFAOYSA-N 0 1 267.372 3.830 20 0 CHADMN CCC[C@H](C)N(C)Cc1ncc(Br)cc1F ZINC000529523553 1124984650 /nfs/dbraw/zinc/98/46/50/1124984650.db2.gz UUGBAZGDKMDGKJ-VIFPVBQESA-N 0 1 289.192 3.604 20 0 CHADMN O=c1[nH]ccc2oc(CN(Cc3ccccc3)C3CC3)cc21 ZINC000876560777 1124961757 /nfs/dbraw/zinc/96/17/57/1124961757.db2.gz MUVAXJJDUNQWQU-UHFFFAOYSA-N 0 1 294.354 3.698 20 0 CHADMN CCCCCN(CCCCC)Cc1cnns1 ZINC000450265629 1124964411 /nfs/dbraw/zinc/96/44/11/1124964411.db2.gz YRJYDCAWLMIRGT-UHFFFAOYSA-N 0 1 255.431 3.721 20 0 CHADMN CCOc1cc(F)cc(CN2CCC(OC(C)C)CC2)c1 ZINC000876630593 1124966570 /nfs/dbraw/zinc/96/65/70/1124966570.db2.gz FEQRMJIXYYIPTE-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN Cc1ccnc(CN2CCC3(CCC3)C2)c1Br ZINC000876742688 1124974755 /nfs/dbraw/zinc/97/47/55/1124974755.db2.gz RCVYFPARIYAITN-UHFFFAOYSA-N 0 1 295.224 3.529 20 0 CHADMN CC(C)CC[C@H]1CCCN1Cc1ccc(Cl)nn1 ZINC000876792251 1124978177 /nfs/dbraw/zinc/97/81/77/1124978177.db2.gz UWYBMFAMGNYIEF-CYBMUJFWSA-N 0 1 267.804 3.531 20 0 CHADMN Cc1ccccc1[C@@H]1CCN(Cc2nnc(C3CC3)s2)C1 ZINC000450333374 1124983406 /nfs/dbraw/zinc/98/34/06/1124983406.db2.gz QDLVLGHQZSQJNZ-CQSZACIVSA-N 0 1 299.443 3.713 20 0 CHADMN Cc1ncc(CN(C)Cc2ccc3cc[nH]c3c2)s1 ZINC000529525530 1124984622 /nfs/dbraw/zinc/98/46/22/1124984622.db2.gz VXDUXXJQEPFYRC-UHFFFAOYSA-N 0 1 271.389 3.565 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C(C)=O)cc2)cc1C ZINC000450348669 1124990355 /nfs/dbraw/zinc/99/03/55/1124990355.db2.gz LWSMWONGVHAQML-UHFFFAOYSA-N 0 1 297.398 3.838 20 0 CHADMN C[C@@H](Cc1ccccc1F)NCc1nc(Cl)cs1 ZINC000876959646 1124993447 /nfs/dbraw/zinc/99/34/47/1124993447.db2.gz WZUQAZFXYOGADT-VIFPVBQESA-N 0 1 284.787 3.656 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(F)cc1F ZINC000120824686 1124994403 /nfs/dbraw/zinc/99/44/03/1124994403.db2.gz YFZUMFVRBVYROP-MEDUHNTESA-N 0 1 293.361 3.746 20 0 CHADMN CC(C)(C)c1ccc(CNCc2ccc(Cl)nn2)cc1 ZINC000876988302 1124995476 /nfs/dbraw/zinc/99/54/76/1124995476.db2.gz YHSWRVTUUCCOFL-UHFFFAOYSA-N 0 1 289.810 3.717 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2cnn(CC)c2)cc1 ZINC000120868954 1124997581 /nfs/dbraw/zinc/99/75/81/1124997581.db2.gz RYPNVWRZSJDSNH-SFHVURJKSA-N 0 1 299.418 3.639 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cc(C3CC3)no2)c2ccccc21 ZINC000877025667 1125000743 /nfs/dbraw/zinc/00/07/43/1125000743.db2.gz RFDBICDZNUIVMM-PIGZYNQJSA-N 0 1 268.360 3.890 20 0 CHADMN COc1cnc(F)c(CNC(C)(C)c2cccc(C)c2)c1 ZINC000877054668 1125003086 /nfs/dbraw/zinc/00/30/86/1125003086.db2.gz JNCYGDCDMKRDSN-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN Clc1cccc2c1OC[C@@H]2NC[C@@H]1CC1(Cl)Cl ZINC000877095518 1125010907 /nfs/dbraw/zinc/01/09/07/1125010907.db2.gz QQTSOGMNSSWFHE-XVKPBYJWSA-N 0 1 292.593 3.557 20 0 CHADMN C[C@H]1CCc2ccccc2[C@@H]1NCc1ccc(Cl)nn1 ZINC000877128338 1125014009 /nfs/dbraw/zinc/01/40/09/1125014009.db2.gz GHBAQHRQPZWUCA-MEDUHNTESA-N 0 1 287.794 3.543 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1nnc(C2CC2)s1 ZINC000450479298 1125040193 /nfs/dbraw/zinc/04/01/93/1125040193.db2.gz MYPNVLQUFCZLEC-WFASDCNBSA-N 0 1 299.443 3.794 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CCN1Cc1nnc(C2CC2)s1 ZINC000450479297 1125041294 /nfs/dbraw/zinc/04/12/94/1125041294.db2.gz MYPNVLQUFCZLEC-SWLSCSKDSA-N 0 1 299.443 3.794 20 0 CHADMN CC(C)(C)Oc1cccc(CN2CC3(CC(F)C3)C2)c1 ZINC000877580747 1125048036 /nfs/dbraw/zinc/04/80/36/1125048036.db2.gz HMXBNGXARNRWRQ-UHFFFAOYSA-N 0 1 277.383 3.798 20 0 CHADMN Cc1ccccc1C1(NCc2ccc(Cl)nn2)CCC1 ZINC000877610793 1125054011 /nfs/dbraw/zinc/05/40/11/1125054011.db2.gz YSMJLQLORYXLPX-UHFFFAOYSA-N 0 1 287.794 3.607 20 0 CHADMN Cc1ccnc(NCc2nc(Cl)cs2)c1C1CC1 ZINC000877626075 1125056246 /nfs/dbraw/zinc/05/62/46/1125056246.db2.gz RHNPHTWUAWVNIQ-UHFFFAOYSA-N 0 1 279.796 3.989 20 0 CHADMN CSC(C)(C)CCN1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000877640311 1125057837 /nfs/dbraw/zinc/05/78/37/1125057837.db2.gz XKEICKIPRNVPDU-QWRGUYRKSA-N 0 1 299.402 3.560 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1Cc1nnc(C2CC2)s1 ZINC000450564267 1125057892 /nfs/dbraw/zinc/05/78/92/1125057892.db2.gz MLXUPCJAOVWUAK-YPMHNXCESA-N 0 1 279.453 3.816 20 0 CHADMN CC[C@](C)(NCC1=CCCCC1)c1nccs1 ZINC000450567753 1125058791 /nfs/dbraw/zinc/05/87/91/1125058791.db2.gz NOXRIMFLAIXQKW-AWEZNQCLSA-N 0 1 250.411 3.858 20 0 CHADMN COc1ncc(CN[C@H]2CCc3ccc(Cl)cc32)s1 ZINC000877660475 1125059870 /nfs/dbraw/zinc/05/98/70/1125059870.db2.gz MVSAJQDSSRMZOX-ZDUSSCGKSA-N 0 1 294.807 3.582 20 0 CHADMN CC(F)(F)CCN[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000450602617 1125063989 /nfs/dbraw/zinc/06/39/89/1125063989.db2.gz XAXVVCVFOJIPGG-OAHLLOKOSA-N 0 1 294.320 3.945 20 0 CHADMN c1ccc(OC2CC2)c(CN2CCC[C@H]2c2cccnc2)c1 ZINC000450624500 1125067883 /nfs/dbraw/zinc/06/78/83/1125067883.db2.gz AWVWEEFWCDODQW-SFHVURJKSA-N 0 1 294.398 3.960 20 0 CHADMN CCOC(=O)c1cc2c(cc(C)nc2-c2ccccc2)n1C ZINC001239466500 1131329476 /nfs/dbraw/zinc/32/94/76/1131329476.db2.gz ZIGPXWNWCDPFHI-UHFFFAOYSA-N 0 1 294.354 3.725 20 0 CHADMN CC[C@H](NCc1ccc(C)cc1)c1c(C)noc1C ZINC000121286856 1125076839 /nfs/dbraw/zinc/07/68/39/1125076839.db2.gz JQKQVZDAGLXOSM-HNNXBMFYSA-N 0 1 258.365 3.841 20 0 CHADMN c1nnsc1CN1CCCC[C@@H]1CCc1ccccc1 ZINC000450638943 1125077836 /nfs/dbraw/zinc/07/78/36/1125077836.db2.gz UXAGIZHZKMVFMJ-OAHLLOKOSA-N 0 1 287.432 3.525 20 0 CHADMN C(=C\c1ccccc1)\CCN1CCC[C@@H]1c1ncc[nH]1 ZINC000450653762 1125078574 /nfs/dbraw/zinc/07/85/74/1125078574.db2.gz PWJGARUIOKQYPY-VCELZJIISA-N 0 1 267.376 3.650 20 0 CHADMN CC(C)n1ccnc1CN1CC[C@@]2(CCc3ccccc32)C1 ZINC000877811739 1125083429 /nfs/dbraw/zinc/08/34/29/1125083429.db2.gz VMCHHHBSVQWHME-IBGZPJMESA-N 0 1 295.430 3.554 20 0 CHADMN Cc1cc(N2CCC(CF)CC2)c2cc(F)ccc2n1 ZINC000450689234 1125086631 /nfs/dbraw/zinc/08/66/31/1125086631.db2.gz SBEWWRYWPZLFMX-UHFFFAOYSA-N 0 1 276.330 3.868 20 0 CHADMN O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1cc(F)cc(Cl)c1O ZINC000450686145 1125086765 /nfs/dbraw/zinc/08/67/65/1125086765.db2.gz MAFPZOKNLGWVKA-WEDXCCLWSA-N 0 1 283.730 3.559 20 0 CHADMN CCC(=O)CCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000450751871 1125102419 /nfs/dbraw/zinc/10/24/19/1125102419.db2.gz FYXFCMJPLFDSRZ-LBPRGKRZSA-N 0 1 281.346 3.513 20 0 CHADMN C[C@@H](Sc1nc(C(C)(C)C)n[nH]1)C(=O)C1CCCCC1 ZINC000450759500 1125103917 /nfs/dbraw/zinc/10/39/17/1125103917.db2.gz KFVLCGWCGWFXQG-SNVBAGLBSA-N 0 1 295.452 3.732 20 0 CHADMN Cn1c2c(nc1[C@@H]1CCC[N@H+]1CC1=CCCCC1)CCCC2 ZINC000450789883 1125105614 /nfs/dbraw/zinc/10/56/14/1125105614.db2.gz DHDCOMKDSJWGJS-SFHVURJKSA-N 0 1 299.462 3.936 20 0 CHADMN Cn1c2c(nc1[C@@H]1CCCN1CC1=CCCCC1)CCCC2 ZINC000450789883 1125105616 /nfs/dbraw/zinc/10/56/16/1125105616.db2.gz DHDCOMKDSJWGJS-SFHVURJKSA-N 0 1 299.462 3.936 20 0 CHADMN CCN(CCc1ccccc1)Cc1nc2c(o1)CCCC2 ZINC000877969589 1125107360 /nfs/dbraw/zinc/10/73/60/1125107360.db2.gz FQGYLMKZSQCMJA-UHFFFAOYSA-N 0 1 284.403 3.618 20 0 CHADMN Cc1conc1CN(C)CCc1cccc2ccccc21 ZINC000878030647 1125113837 /nfs/dbraw/zinc/11/38/37/1125113837.db2.gz DUGSSYZLVGSCFD-UHFFFAOYSA-N 0 1 280.371 3.811 20 0 CHADMN Cc1conc1CN1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000878117230 1125120631 /nfs/dbraw/zinc/12/06/31/1125120631.db2.gz MEOYERBCJBIMDB-TZMCWYRMSA-N 0 1 274.339 3.500 20 0 CHADMN CCCN(CCc1cccc(F)c1)Cc1nocc1C ZINC000878104834 1125120852 /nfs/dbraw/zinc/12/08/52/1125120852.db2.gz QPIQUOWIFLSUJO-UHFFFAOYSA-N 0 1 276.355 3.577 20 0 CHADMN Cc1conc1CN1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000878135974 1125122254 /nfs/dbraw/zinc/12/22/54/1125122254.db2.gz SXZQYTMJJLGVPA-BBRMVZONSA-N 0 1 270.376 3.609 20 0 CHADMN CC1(C)CC(C[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])C1 ZINC000530165952 1125127684 /nfs/dbraw/zinc/12/76/84/1125127684.db2.gz LDIFWHJGKWNIAV-CVEARBPZSA-N 0 1 293.451 3.778 20 0 CHADMN Fc1cccc([C@H]2CCN2C[C@H]2CC3(CCC3)CO2)c1 ZINC000878165735 1125127912 /nfs/dbraw/zinc/12/79/12/1125127912.db2.gz DBTSAPLJSJBZKU-HZPDHXFCSA-N 0 1 275.367 3.532 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1CC1CCCCCC1 ZINC000530175161 1125129797 /nfs/dbraw/zinc/12/97/97/1125129797.db2.gz OCADUJKIUWABSN-AGGWBTHJSA-N 0 1 267.413 3.530 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000530172619 1125130129 /nfs/dbraw/zinc/13/01/29/1125130129.db2.gz JKXBGELRAQPWJH-PEGIJTEDSA-N 0 1 299.773 3.553 20 0 CHADMN Cc1conc1CN1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000878212002 1125132838 /nfs/dbraw/zinc/13/28/38/1125132838.db2.gz FVDGQIQQRYXQCI-HNNXBMFYSA-N 0 1 295.386 3.844 20 0 CHADMN Cc1nccc(CN2C[C@H](C)C[C@H]2c2cccc(F)c2)n1 ZINC000373519014 1125133385 /nfs/dbraw/zinc/13/33/85/1125133385.db2.gz ILHWZEVGEXOVMU-PXAZEXFGSA-N 0 1 285.366 3.507 20 0 CHADMN COc1ccc2nc(S[C@H]3CCCCCC3=O)[nH]c2c1 ZINC000029279911 1125136899 /nfs/dbraw/zinc/13/68/99/1125136899.db2.gz SSTWAAULBDRRHQ-AWEZNQCLSA-N 0 1 290.388 3.565 20 0 CHADMN C[C@H](c1ccccn1)N(C)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878313689 1125140676 /nfs/dbraw/zinc/14/06/76/1125140676.db2.gz JMBAAZBYFWNYSB-SUMDDJOVSA-N 0 1 296.414 3.995 20 0 CHADMN C[C@H](c1ccc(CN2CC[C@@H](F)C2)cc1)C(F)(F)F ZINC000451201116 1125142991 /nfs/dbraw/zinc/14/29/91/1125142991.db2.gz UGVZWGVVGCVGOM-ZWNOBZJWSA-N 0 1 275.289 3.896 20 0 CHADMN C[C@@H](NCc1nc2c(o1)CCCC2)[C@@H](C)c1ccccc1 ZINC000878378948 1125147372 /nfs/dbraw/zinc/14/73/72/1125147372.db2.gz QWLMWCQXRHGEHU-ZIAGYGMSSA-N 0 1 284.403 3.835 20 0 CHADMN C[C@@H]1CC[C@]2(CC[N@@H+](Cc3nc4c(o3)CCCC4)C2)C1 ZINC000878400123 1125148597 /nfs/dbraw/zinc/14/85/97/1125148597.db2.gz XGCVUVCQVPAXNH-DYVFJYSZSA-N 0 1 274.408 3.566 20 0 CHADMN C[C@@H]1CC[C@]2(CCN(Cc3nc4c(o3)CCCC4)C2)C1 ZINC000878400123 1125148602 /nfs/dbraw/zinc/14/86/02/1125148602.db2.gz XGCVUVCQVPAXNH-DYVFJYSZSA-N 0 1 274.408 3.566 20 0 CHADMN C[C@H](c1ccco1)N(C)C[C@H]1CCC2(CCCC2)O1 ZINC000530419173 1125151191 /nfs/dbraw/zinc/15/11/91/1125151191.db2.gz JNEOINHLSMJOIR-ZIAGYGMSSA-N 0 1 263.381 3.764 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1NCc1nc2c(o1)CCCC2 ZINC000878456015 1125154418 /nfs/dbraw/zinc/15/44/18/1125154418.db2.gz HEMAUNBWCPMKTC-UKRRQHHQSA-N 0 1 294.464 3.707 20 0 CHADMN Cc1cc2c(c(C)c1)[C@H](NCc1ccn(C(C)C)n1)CC2 ZINC000655726896 1125168011 /nfs/dbraw/zinc/16/80/11/1125168011.db2.gz RHJBWSMBWRSBJZ-QGZVFWFLSA-N 0 1 283.419 3.858 20 0 CHADMN Clc1ccc2ccc(CN3C[C@@H]4C[C@H]3CS4)nc2c1 ZINC000878706538 1125174108 /nfs/dbraw/zinc/17/41/08/1125174108.db2.gz ZDZGNMOSAUPWSF-KBPBESRZSA-N 0 1 290.819 3.578 20 0 CHADMN CO[C@H]1CCCN(Cc2csc(CCC(C)C)n2)CC1 ZINC000374695898 1125175363 /nfs/dbraw/zinc/17/53/63/1125175363.db2.gz VSCZGMIORYGBPK-HNNXBMFYSA-N 0 1 296.480 3.733 20 0 CHADMN Fc1ccc(CN2CC[C@H]2Cc2ccccc2)cc1F ZINC000530757301 1125178859 /nfs/dbraw/zinc/17/88/59/1125178859.db2.gz YJYQDJIVPRKQQV-HNNXBMFYSA-N 0 1 273.326 3.782 20 0 CHADMN Cc1cc(Cc2nc(-c3cccc4ccccc43)no2)[nH]n1 ZINC000530800156 1125180759 /nfs/dbraw/zinc/18/07/59/1125180759.db2.gz NAEYZNFVHLJRKR-UHFFFAOYSA-N 0 1 290.326 3.512 20 0 CHADMN c1coc([C@@H](Cc2ccccc2)NCCCC2CC2)n1 ZINC000878850675 1125181923 /nfs/dbraw/zinc/18/19/23/1125181923.db2.gz XOZQAMUIPWYSHL-MRXNPFEDSA-N 0 1 270.376 3.738 20 0 CHADMN Cc1ccc(NC(=O)CN(C)[C@H](C)c2ccc(C)cc2)cc1 ZINC000530865897 1125184124 /nfs/dbraw/zinc/18/41/24/1125184124.db2.gz VZRYZEHKCQPSKL-MRXNPFEDSA-N 0 1 296.414 3.935 20 0 CHADMN COc1ccccc1CNC1(c2ccc(F)cc2)CC1 ZINC000530967926 1125189357 /nfs/dbraw/zinc/18/93/57/1125189357.db2.gz FGTAAMWMLDFTEO-UHFFFAOYSA-N 0 1 271.335 3.613 20 0 CHADMN CC(C)OCCNC(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879157729 1125199766 /nfs/dbraw/zinc/19/97/66/1125199766.db2.gz OGHIRPSEQPHNHU-UHFFFAOYSA-N 0 1 296.798 3.731 20 0 CHADMN Fc1ccc([C@H]2CCCN(CC3(F)CC3)C2)cc1F ZINC000628394582 1125201921 /nfs/dbraw/zinc/20/19/21/1125201921.db2.gz ZOUGWUPANNPJFW-LBPRGKRZSA-N 0 1 269.310 3.646 20 0 CHADMN Cc1cccc2c(CN3CCc4c(C)cccc4C3)[nH]nc21 ZINC001137142049 1125203970 /nfs/dbraw/zinc/20/39/70/1125203970.db2.gz SCGSGWHTCJQCRB-UHFFFAOYSA-N 0 1 291.398 3.738 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccccn2)ccc1SC ZINC000063902385 1125209926 /nfs/dbraw/zinc/20/99/26/1125209926.db2.gz YYFDSMKGZYKDMM-LBPRGKRZSA-N 0 1 288.416 3.663 20 0 CHADMN F[C@@]1(c2ccccc2)CCCN(CCc2cscn2)C1 ZINC000879480249 1125217095 /nfs/dbraw/zinc/21/70/95/1125217095.db2.gz TZSNIYFDSVYLHR-INIZCTEOSA-N 0 1 290.407 3.646 20 0 CHADMN CC(C)(C)c1cnc(CNC2(CO)CCCCCCC2)o1 ZINC000879496181 1125217209 /nfs/dbraw/zinc/21/72/09/1125217209.db2.gz GXTWFGXVPQXTNG-UHFFFAOYSA-N 0 1 294.439 3.537 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC(C(C)(C)O)CC1 ZINC000879625858 1125221240 /nfs/dbraw/zinc/22/12/40/1125221240.db2.gz LDMMXXYLQJARNW-LLVKDONJSA-N 0 1 283.362 3.509 20 0 CHADMN COc1ccc(CN2CCS[C@H]3CCCC[C@@H]32)cc1F ZINC000531470239 1125221796 /nfs/dbraw/zinc/22/17/96/1125221796.db2.gz MQGATKHIGOCZMJ-HOCLYGCPSA-N 0 1 295.423 3.694 20 0 CHADMN Cc1cc(Nc2cc(C)c(O)c(C)c2)n(-c2ccncc2)n1 ZINC001211909011 1125222430 /nfs/dbraw/zinc/22/24/30/1125222430.db2.gz RFQIYPPNBCMVFW-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN Cc1cnc(CN2CC[C@@H](c3ccccc3F)C2(C)C)nc1 ZINC000879640735 1125222659 /nfs/dbraw/zinc/22/26/59/1125222659.db2.gz NGKISUZLGJWERN-HNNXBMFYSA-N 0 1 299.393 3.692 20 0 CHADMN FC[C@H](NC[C@H]1CCC2(CCC2)O1)c1ccc(F)cc1 ZINC000879662055 1125223991 /nfs/dbraw/zinc/22/39/91/1125223991.db2.gz PKPSAAIOTSLRGE-CABCVRRESA-N 0 1 281.346 3.528 20 0 CHADMN FC[C@@H](NCCc1cccs1)c1ccc(F)cc1 ZINC000879659826 1125224044 /nfs/dbraw/zinc/22/40/44/1125224044.db2.gz AFTSIKBDBOTVSR-CQSZACIVSA-N 0 1 267.344 3.730 20 0 CHADMN CCCCN1CCc2cccc(Br)c2C1 ZINC000532059146 1125232772 /nfs/dbraw/zinc/23/27/72/1125232772.db2.gz BEHPDNRQIKXADS-UHFFFAOYSA-N 0 1 268.198 3.607 20 0 CHADMN CC(C)(CC(=O)Nc1nc2ccc(F)cc2[nH]1)CC(F)F ZINC000879801388 1125233851 /nfs/dbraw/zinc/23/38/51/1125233851.db2.gz NIMPDQSVSXCUCO-UHFFFAOYSA-N 0 1 299.296 3.712 20 0 CHADMN Cc1ccccc1-c1noc(CN(C)CC2CCCC2)n1 ZINC000064021177 1125236001 /nfs/dbraw/zinc/23/60/01/1125236001.db2.gz PYYWHQBQNRVNQW-UHFFFAOYSA-N 0 1 285.391 3.667 20 0 CHADMN CC(C)(CC(=O)Nc1ccc2nc[nH]c2c1)CC(F)(F)F ZINC000879906152 1125239271 /nfs/dbraw/zinc/23/92/71/1125239271.db2.gz CYXVCWAJMXDTEU-UHFFFAOYSA-N 0 1 299.296 3.870 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H](C(C)C)C2)cs1 ZINC000532293494 1125248623 /nfs/dbraw/zinc/24/86/23/1125248623.db2.gz QJCSNRAROIMOPA-GFCCVEGCSA-N 0 1 252.427 3.744 20 0 CHADMN CSc1ccc(-c2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001239497687 1131347862 /nfs/dbraw/zinc/34/78/62/1131347862.db2.gz JOYDODCIDBSWQN-UHFFFAOYSA-N 0 1 298.455 3.827 20 0 CHADMN CSCCCCCCc1nc([C@@H](N)CC(C)C)no1 ZINC000871786569 1125254874 /nfs/dbraw/zinc/25/48/74/1125254874.db2.gz DYURFQVTZRDVBJ-LBPRGKRZSA-N 0 1 285.457 3.581 20 0 CHADMN COC(=O)[C@H](c1ccccc1)N1CCC[C@@H](CC(C)C)C1 ZINC001168144763 1125257627 /nfs/dbraw/zinc/25/76/27/1125257627.db2.gz HDUYVBXOYIGGFF-RDJZCZTQSA-N 0 1 289.419 3.659 20 0 CHADMN FC[C@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000880292913 1125262952 /nfs/dbraw/zinc/26/29/52/1125262952.db2.gz AIKUDBRGFHFVIY-LLVKDONJSA-N 0 1 278.758 3.680 20 0 CHADMN FC[C@@H]1CCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000880299642 1125262994 /nfs/dbraw/zinc/26/29/94/1125262994.db2.gz WEGOCFWXEWUAEO-LBPRGKRZSA-N 0 1 276.380 3.602 20 0 CHADMN FC[C@@H]1CCN(Cc2csc(-c3ccsc3)n2)C1 ZINC000880294760 1125263587 /nfs/dbraw/zinc/26/35/87/1125263587.db2.gz YQLHUTWGEWKHNI-JTQLQIEISA-N 0 1 282.409 3.663 20 0 CHADMN Clc1ccc(CN2CC[C@@H](c3nccs3)C2)s1 ZINC000880314847 1125264942 /nfs/dbraw/zinc/26/49/42/1125264942.db2.gz GCCRTLBDNPTISJ-SECBINFHSA-N 0 1 284.837 3.848 20 0 CHADMN Oc1ccc(CN[C@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000648439660 1125266488 /nfs/dbraw/zinc/26/64/88/1125266488.db2.gz GAOOISDUWYFKHD-ZDUSSCGKSA-N 0 1 293.288 3.587 20 0 CHADMN c1cnc(C2(NCC[C@@H]3CCc4ccccc43)CCC2)nc1 ZINC000880368338 1125268132 /nfs/dbraw/zinc/26/81/32/1125268132.db2.gz XBUPLXXFRQNRKA-INIZCTEOSA-N 0 1 293.414 3.566 20 0 CHADMN CC(C)(C)Oc1ccnc(NC2(c3ccccn3)CC2)c1 ZINC001168151612 1125270530 /nfs/dbraw/zinc/27/05/30/1125270530.db2.gz QZVROSNWVSVCOT-UHFFFAOYSA-N 0 1 283.375 3.755 20 0 CHADMN c1cc(CN2CCCSC[C@H]2c2ccccc2)sn1 ZINC000880388143 1125271504 /nfs/dbraw/zinc/27/15/04/1125271504.db2.gz IOBIJRFEZOKLLM-HNNXBMFYSA-N 0 1 290.457 3.823 20 0 CHADMN C[C@H](c1cccc2ccccc21)N1CCc2ncncc2C1 ZINC000880595367 1125281232 /nfs/dbraw/zinc/28/12/32/1125281232.db2.gz SMASNIPOIXSIMI-CQSZACIVSA-N 0 1 289.382 3.749 20 0 CHADMN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2nc(-c3cccs3)no2)C1 ZINC000475726818 1125281336 /nfs/dbraw/zinc/28/13/36/1125281336.db2.gz LDAFKNBZGIVVFG-GRYCIOLGSA-N 0 1 291.420 3.665 20 0 CHADMN Cc1nc(-c2ccc(-c3ccccc3)cc2)nc2nc[nH]c21 ZINC001239491203 1131345261 /nfs/dbraw/zinc/34/52/61/1131345261.db2.gz JRYQGOYDAQVGSY-UHFFFAOYSA-N 0 1 286.338 3.947 20 0 CHADMN Cc1csc(CN(C)CCC(=O)c2cccs2)c1 ZINC001137160426 1125291489 /nfs/dbraw/zinc/29/14/89/1125291489.db2.gz XPIGXDHOFVQGFC-UHFFFAOYSA-N 0 1 279.430 3.823 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H]2CCc3cccnc32)cc1C ZINC000897414709 1125316444 /nfs/dbraw/zinc/31/64/44/1125316444.db2.gz JWSDDDYLWGMXFX-CZUORRHYSA-N 0 1 282.387 3.737 20 0 CHADMN CC(C)(C)c1ccncc1CN[C@H]1CCCc2cccnc21 ZINC000666206932 1125316714 /nfs/dbraw/zinc/31/67/14/1125316714.db2.gz JLRCCVOUJZVIAY-KRWDZBQOSA-N 0 1 295.430 3.941 20 0 CHADMN CCN(C)c1ccc(C[N@@H+](C)Cc2ccc(C)s2)cn1 ZINC000191318124 1125324765 /nfs/dbraw/zinc/32/47/65/1125324765.db2.gz REYBULBKRKRIND-UHFFFAOYSA-N 0 1 289.448 3.540 20 0 CHADMN CCN(C)c1ccc(CN(C)Cc2ccc(C)s2)cn1 ZINC000191318124 1125324771 /nfs/dbraw/zinc/32/47/71/1125324771.db2.gz REYBULBKRKRIND-UHFFFAOYSA-N 0 1 289.448 3.540 20 0 CHADMN C[C@@H]1CCSCCN1Cc1cnc(C(C)(C)C)s1 ZINC000191817743 1125327973 /nfs/dbraw/zinc/32/79/73/1125327973.db2.gz CCFHRNMKBYIRAU-LLVKDONJSA-N 0 1 284.494 3.768 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccc(F)cc1F ZINC000760243507 1125329411 /nfs/dbraw/zinc/32/94/11/1125329411.db2.gz OHDGRLSBCUVHIQ-ZJUUUORDSA-N 0 1 250.292 3.705 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc(SC)cc1 ZINC001239498223 1131348354 /nfs/dbraw/zinc/34/83/54/1131348354.db2.gz RQMFCYGSQLUFNA-UHFFFAOYSA-N 0 1 270.357 3.960 20 0 CHADMN COCCCCCN1CCc2cc(Cl)ccc2C1 ZINC000192244148 1125332615 /nfs/dbraw/zinc/33/26/15/1125332615.db2.gz XPWMNWBXBXNFBW-UHFFFAOYSA-N 0 1 267.800 3.515 20 0 CHADMN CC(C)(C)c1n[nH]c(SC[C@H]2CCCC(C)(C)O2)n1 ZINC000882090577 1125335199 /nfs/dbraw/zinc/33/51/99/1125335199.db2.gz ZRWTXBVNGUWOQG-SNVBAGLBSA-N 0 1 283.441 3.542 20 0 CHADMN CCc1ncc(CNCc2ccc(OC(C)(C)C)cc2)cn1 ZINC000666234779 1125337231 /nfs/dbraw/zinc/33/72/31/1125337231.db2.gz CSUJJQWYPQZDDX-UHFFFAOYSA-N 0 1 299.418 3.506 20 0 CHADMN CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCCCC1 ZINC000193141905 1125337503 /nfs/dbraw/zinc/33/75/03/1125337503.db2.gz UPKYVOMMWMCVRG-AWEZNQCLSA-N 0 1 288.435 3.624 20 0 CHADMN Cc1nc2c(s1)CN(Cc1cccc3cccnc31)CC2 ZINC001137176880 1125343107 /nfs/dbraw/zinc/34/31/07/1125343107.db2.gz UDEKVCZZVLCGBI-UHFFFAOYSA-N 0 1 295.411 3.558 20 0 CHADMN C[N@@H+](Cc1c2ccccc2sc1C(=O)[O-])C1CCCC1 ZINC000037092941 1125365373 /nfs/dbraw/zinc/36/53/73/1125365373.db2.gz QXELSMVEZYUIKG-UHFFFAOYSA-N 0 1 289.400 3.974 20 0 CHADMN CCC[C@H](NCc1cccc(Cl)c1N)c1ccccn1 ZINC000882979440 1125365708 /nfs/dbraw/zinc/36/57/08/1125365708.db2.gz ZZHNYCGQNYDQCO-AWEZNQCLSA-N 0 1 289.810 3.948 20 0 CHADMN CC[C@@](C)(NCc1nc(C(C)C)c[nH]1)c1ccccc1 ZINC000882989376 1125365839 /nfs/dbraw/zinc/36/58/39/1125365839.db2.gz NGWWLZLYNLKYBU-QGZVFWFLSA-N 0 1 271.408 3.948 20 0 CHADMN F[C@@H]1CCCC[C@H]1NCc1cc2cc(Cl)cnc2o1 ZINC000666436423 1125368095 /nfs/dbraw/zinc/36/80/95/1125368095.db2.gz IOPBIHVGQISKPM-CHWSQXEVSA-N 0 1 282.746 3.852 20 0 CHADMN O=c1nc(-c2ccc(Cl)c(Cl)c2)[nH]c2ccsc21 ZINC000053847820 1125370936 /nfs/dbraw/zinc/37/09/36/1125370936.db2.gz ACSSTQDJEUEHNE-UHFFFAOYSA-N 0 1 297.166 3.958 20 0 CHADMN CC(C)N(Cc1cccc(Cl)c1)Cc1cncnc1 ZINC000154468431 1125372109 /nfs/dbraw/zinc/37/21/09/1125372109.db2.gz HAJRZKLBPVPIJM-UHFFFAOYSA-N 0 1 275.783 3.541 20 0 CHADMN Cc1csc(CN2CCC(c3ccc(F)cc3)CC2)n1 ZINC000131144185 1125374347 /nfs/dbraw/zinc/37/43/47/1125374347.db2.gz LDWJLQQNMIDCPS-UHFFFAOYSA-N 0 1 290.407 3.970 20 0 CHADMN C/C=C/C[C@@H]1CCCN(Cc2nc(-c3ccco3)no2)C1 ZINC000626160181 1125376107 /nfs/dbraw/zinc/37/61/07/1125376107.db2.gz CAXWOESVBCWEOK-YWVDXFKGSA-N 0 1 287.363 3.508 20 0 CHADMN c1cc2c(s1)CCC[C@H]2NCc1cnc2ccccc2n1 ZINC000061360101 1125378782 /nfs/dbraw/zinc/37/87/82/1125378782.db2.gz CTRTVZFJYIHONU-CQSZACIVSA-N 0 1 295.411 3.859 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@@H]1CCC12CCC2 ZINC000821820957 1131351356 /nfs/dbraw/zinc/35/13/56/1131351356.db2.gz UABOHNWXLUFLMN-CQSZACIVSA-N 0 1 296.370 3.875 20 0 CHADMN CC1(C)CN[C@H]1c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000666571013 1125382076 /nfs/dbraw/zinc/38/20/76/1125382076.db2.gz RHZSVJRIABLXAV-JTQLQIEISA-N 0 1 298.173 3.714 20 0 CHADMN C/C=C/C[C@H]1CCCN(Cc2nc(C)cs2)C1 ZINC000626162468 1125382290 /nfs/dbraw/zinc/38/22/90/1125382290.db2.gz UXPTXQWRWWOZQL-OOPCZODUSA-N 0 1 250.411 3.630 20 0 CHADMN CCSc1ccc(CNCc2ccnn2C(C)C)cc1 ZINC000883235569 1125382316 /nfs/dbraw/zinc/38/23/16/1125382316.db2.gz GHTHNCPNNNRONG-UHFFFAOYSA-N 0 1 289.448 3.866 20 0 CHADMN Cc1ccccc1-c1cc(F)c2c(c1)CN(C)CC2 ZINC001239504193 1131351740 /nfs/dbraw/zinc/35/17/40/1131351740.db2.gz NLZMOOZJBGONMN-UHFFFAOYSA-N 0 1 255.336 3.789 20 0 CHADMN COc1ccc(CNCc2cc(C3CC3)ccc2OC)cc1 ZINC000883258685 1125386749 /nfs/dbraw/zinc/38/67/49/1125386749.db2.gz LCGVXFBICHMZQD-UHFFFAOYSA-N 0 1 297.398 3.871 20 0 CHADMN C=C/C=C/CCN[C@@H](C)c1ncc(Br)s1 ZINC000883267663 1125389272 /nfs/dbraw/zinc/38/92/72/1125389272.db2.gz MUCPQSCVBYUUPM-MOVJSRMASA-N 0 1 287.226 3.689 20 0 CHADMN O=C1CCN(Cc2cccc3ncccc23)[C@@H]2CCCC[C@@H]12 ZINC001137623168 1125391980 /nfs/dbraw/zinc/39/19/80/1125391980.db2.gz TUNIUXSJCLFXOZ-SJLPKXTDSA-N 0 1 294.398 3.568 20 0 CHADMN O=C1CCN(Cc2cccc3ncccc23)[C@@H]2CCCC[C@H]12 ZINC001137623167 1125392323 /nfs/dbraw/zinc/39/23/23/1125392323.db2.gz TUNIUXSJCLFXOZ-FUHWJXTLSA-N 0 1 294.398 3.568 20 0 CHADMN CC[C@@H](Cc1cccs1)NC1(c2ncccn2)CCC1 ZINC000883313848 1125393926 /nfs/dbraw/zinc/39/39/26/1125393926.db2.gz NZCVITIFXNDVEZ-ZDUSSCGKSA-N 0 1 287.432 3.528 20 0 CHADMN CC(C)OCc1ccccc1CN[C@H](C)c1cncs1 ZINC000532461700 1125395425 /nfs/dbraw/zinc/39/54/25/1125395425.db2.gz PXVSTJCWNRPZBB-CYBMUJFWSA-N 0 1 290.432 3.919 20 0 CHADMN CCCCc1nc(CN2CCCCC[C@H]2CCO)cs1 ZINC000342056664 1125395967 /nfs/dbraw/zinc/39/59/67/1125395967.db2.gz BUWCSPLAZUOBBG-HNNXBMFYSA-N 0 1 296.480 3.613 20 0 CHADMN COc1cccc2c1OCCC[C@H]2N[C@@H](C)c1ccoc1 ZINC000883331210 1125397832 /nfs/dbraw/zinc/39/78/32/1125397832.db2.gz UHEMYLCLAVWQET-SWLSCSKDSA-N 0 1 287.359 3.853 20 0 CHADMN CCSCc1cccnc1NCc1[nH]nc2ccccc21 ZINC000883378702 1125405428 /nfs/dbraw/zinc/40/54/28/1125405428.db2.gz VRBGODRQRLJQFL-UHFFFAOYSA-N 0 1 298.415 3.823 20 0 CHADMN F[C@@H]1CCc2ccccc2[C@H]1NCc1ccc2nc[nH]c2c1 ZINC000883382175 1125406687 /nfs/dbraw/zinc/40/66/87/1125406687.db2.gz ASTIUFOQSNISLC-CRAIPNDOSA-N 0 1 295.361 3.678 20 0 CHADMN CCn1cc(CN(C)c2cc(C)nc3ccc(F)cc32)cn1 ZINC000532488090 1125406956 /nfs/dbraw/zinc/40/69/56/1125406956.db2.gz PPXJFHIRWPFCDE-UHFFFAOYSA-N 0 1 298.365 3.535 20 0 CHADMN CCC[C@@H](C)N(C)CC(=O)Nc1ccc(C)cc1Cl ZINC000532481953 1125407001 /nfs/dbraw/zinc/40/70/01/1125407001.db2.gz LTLBSTVSVQVWGU-GFCCVEGCSA-N 0 1 282.815 3.707 20 0 CHADMN CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C)CC1 ZINC000532486539 1125407035 /nfs/dbraw/zinc/40/70/35/1125407035.db2.gz IVGIQCDFCPUQPE-LSDHHAIUSA-N 0 1 288.435 3.698 20 0 CHADMN CCC[C@H](C)N(C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000532481929 1125407162 /nfs/dbraw/zinc/40/71/62/1125407162.db2.gz JVWPUYNGIAIYQA-JTQLQIEISA-N 0 1 286.778 3.538 20 0 CHADMN C[C@H](N(C)Cc1nc(-c2ccc(F)cc2)no1)C(C)(C)C ZINC000532490722 1125407994 /nfs/dbraw/zinc/40/79/94/1125407994.db2.gz QWXXKRCJBKNZEE-NSHDSACASA-N 0 1 291.370 3.742 20 0 CHADMN Cc1cc(CN[C@H](Cn2ccnc2)c2ccccc2)c(C)o1 ZINC000883396966 1125408714 /nfs/dbraw/zinc/40/87/14/1125408714.db2.gz AOBMEVQEOZJGJB-GOSISDBHSA-N 0 1 295.386 3.624 20 0 CHADMN Cc1cc(CN[C@@H](Cn2ccnc2)c2ccccc2)c(C)o1 ZINC000883396967 1125409043 /nfs/dbraw/zinc/40/90/43/1125409043.db2.gz AOBMEVQEOZJGJB-SFHVURJKSA-N 0 1 295.386 3.624 20 0 CHADMN O=C(Nc1ccccc1Cl)c1cc(-c2ccco2)n[nH]1 ZINC000028266707 1125414245 /nfs/dbraw/zinc/41/42/45/1125414245.db2.gz BMQZHKFPBOFPJW-UHFFFAOYSA-N 0 1 287.706 3.575 20 0 CHADMN Clc1ccc(-c2noc([C@H]3CCCCN3)n2)cc1Cl ZINC000132533305 1125419443 /nfs/dbraw/zinc/41/94/43/1125419443.db2.gz XRPKKVNKASPTNL-LLVKDONJSA-N 0 1 298.173 3.858 20 0 CHADMN CC1CCC(N2Cc3cnn(-c4ccccc4)c3C2)CC1 ZINC001168221461 1125419458 /nfs/dbraw/zinc/41/94/58/1125419458.db2.gz DENFJMFNYURRQP-UHFFFAOYSA-N 0 1 281.403 3.767 20 0 CHADMN Cc1cc(C)cc([C@@H](O)C[N@H+]2CCc3c(F)cccc3C2)c1 ZINC001168235364 1125421926 /nfs/dbraw/zinc/42/19/26/1125421926.db2.gz UMEIRRJNPFEVJS-IBGZPJMESA-N 0 1 299.389 3.534 20 0 CHADMN Cc1cc(C)cc([C@@H](O)CN2CCc3c(F)cccc3C2)c1 ZINC001168235364 1125421929 /nfs/dbraw/zinc/42/19/29/1125421929.db2.gz UMEIRRJNPFEVJS-IBGZPJMESA-N 0 1 299.389 3.534 20 0 CHADMN F[C@H]1C[C@H](CNc2cc(OCc3ccccc3)ccn2)C1 ZINC001168234094 1125422671 /nfs/dbraw/zinc/42/26/71/1125422671.db2.gz QFMRVBRAGDZMSS-SHTZXODSSA-N 0 1 286.350 3.821 20 0 CHADMN F[C@H]1C[C@H](CNc2ccc(C3C=NC(=S)N3)cc2)C1 ZINC001168237661 1125425212 /nfs/dbraw/zinc/42/52/12/1125425212.db2.gz KQHYHTCGMGBCOI-HOMQSWHASA-N 0 1 277.368 3.525 20 0 CHADMN CC[C@@H](CC1CCCC1)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000332976049 1125429157 /nfs/dbraw/zinc/42/91/57/1125429157.db2.gz LELVFQGSPPAOQE-DZGCQCFKSA-N 0 1 289.423 3.510 20 0 CHADMN CCCC[N@@H+](C)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000124161478 1125435275 /nfs/dbraw/zinc/43/52/75/1125435275.db2.gz IGKKRVWMMSJDJC-JTQLQIEISA-N 0 1 292.452 3.683 20 0 CHADMN CCCCN(C)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000124161478 1125435276 /nfs/dbraw/zinc/43/52/76/1125435276.db2.gz IGKKRVWMMSJDJC-JTQLQIEISA-N 0 1 292.452 3.683 20 0 CHADMN c1cc2c(s1)CCN(Cc1ccc3ncccc3c1)C2 ZINC000124285324 1125435935 /nfs/dbraw/zinc/43/59/35/1125435935.db2.gz SGPXEGVTZHTVSN-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN Fc1cccc2c1CN(c1ccnc3ccccc31)CCO2 ZINC000509512740 1125437775 /nfs/dbraw/zinc/43/77/75/1125437775.db2.gz WQLANPLHGXVURU-UHFFFAOYSA-N 0 1 294.329 3.773 20 0 CHADMN COCc1ccc(CN(Cc2ccccc2)C2CC2)o1 ZINC000125417439 1125448442 /nfs/dbraw/zinc/44/84/42/1125448442.db2.gz NFEPJSYUAKNXFD-UHFFFAOYSA-N 0 1 271.360 3.591 20 0 CHADMN C[N@@H+](C/C=C/c1ccc(F)c(F)c1)Cc1ccncc1 ZINC000348260383 1125449139 /nfs/dbraw/zinc/44/91/39/1125449139.db2.gz KACWFYAIAAHNJZ-NSCUHMNNSA-N 0 1 274.314 3.505 20 0 CHADMN CN(C/C=C/c1ccc(F)c(F)c1)Cc1ccncc1 ZINC000348260383 1125449142 /nfs/dbraw/zinc/44/91/42/1125449142.db2.gz KACWFYAIAAHNJZ-NSCUHMNNSA-N 0 1 274.314 3.505 20 0 CHADMN Clc1ccccc1C1=CCN(CCOCC2CC2)CC1 ZINC000509515680 1125451812 /nfs/dbraw/zinc/45/18/12/1125451812.db2.gz GQEORTABHJCDER-UHFFFAOYSA-N 0 1 291.822 3.856 20 0 CHADMN CC[C@@H](c1ccccc1)N(CC)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635448244 1129182177 /nfs/dbraw/zinc/18/21/77/1129182177.db2.gz YERBYZANUNEHCJ-INMHGKMJSA-N 0 1 297.402 3.513 20 0 CHADMN CCOc1cncc(CN2CCC[C@@H]2c2cccs2)c1 ZINC000621710223 1129182887 /nfs/dbraw/zinc/18/28/87/1129182887.db2.gz XNFJILYEEVYZOR-OAHLLOKOSA-N 0 1 288.416 3.879 20 0 CHADMN CCCN(Cc1ccnn1CCc1ccccc1)C1CC1 ZINC000621711170 1129183969 /nfs/dbraw/zinc/18/39/69/1129183969.db2.gz HSEVJSVZHRXHKS-UHFFFAOYSA-N 0 1 283.419 3.500 20 0 CHADMN Cc1nccnc1C[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000621717755 1129185352 /nfs/dbraw/zinc/18/53/52/1129185352.db2.gz MVYMVFTZDFDANA-YVEFUNNKSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1nccnc1CN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000621717755 1129185356 /nfs/dbraw/zinc/18/53/56/1129185356.db2.gz MVYMVFTZDFDANA-YVEFUNNKSA-N 0 1 285.366 3.507 20 0 CHADMN CCOc1cncc(CN2CCc3ccccc3[C@@H]2C)c1 ZINC000621715329 1129186020 /nfs/dbraw/zinc/18/60/20/1129186020.db2.gz RIEZITNPLWSBDI-AWEZNQCLSA-N 0 1 282.387 3.600 20 0 CHADMN Cc1cc(C)cc(C2=CCN(Cc3nccnc3C)CC2)c1 ZINC000621722443 1129187060 /nfs/dbraw/zinc/18/70/60/1129187060.db2.gz XHFCBAVPBFZDNH-UHFFFAOYSA-N 0 1 293.414 3.691 20 0 CHADMN COC(=O)c1cc(CN[C@H](C)c2ccc(C)s2)cs1 ZINC000689106565 1129187208 /nfs/dbraw/zinc/18/72/08/1129187208.db2.gz WOKRUCOOFCLOGT-SNVBAGLBSA-N 0 1 295.429 3.755 20 0 CHADMN CCCN(CC(C)C)C(=O)c1ccc(CN(CC)CC)o1 ZINC000621729787 1129188046 /nfs/dbraw/zinc/18/80/46/1129188046.db2.gz RJMSBICGRNCYHK-UHFFFAOYSA-N 0 1 294.439 3.630 20 0 CHADMN CCCn1nc(C)c(CN2CC(C)(c3ccccc3)C2)c1C ZINC000621734799 1129188780 /nfs/dbraw/zinc/18/87/80/1129188780.db2.gz WSDFVXNKIJBHID-UHFFFAOYSA-N 0 1 297.446 3.683 20 0 CHADMN CCc1nc(S[C@@H]2CCc3cc(Cl)ccc32)n[nH]1 ZINC000795203683 1129189000 /nfs/dbraw/zinc/18/90/00/1129189000.db2.gz JDPPVNGMMIJRFK-LLVKDONJSA-N 0 1 279.796 3.800 20 0 CHADMN CCc1n[nH]c(S[C@@H]2CCc3cc(Cl)ccc32)n1 ZINC000795203683 1129189003 /nfs/dbraw/zinc/18/90/03/1129189003.db2.gz JDPPVNGMMIJRFK-LLVKDONJSA-N 0 1 279.796 3.800 20 0 CHADMN COCc1csc(CN2CC(Cc3ccsc3)C2)c1 ZINC000621741128 1129189246 /nfs/dbraw/zinc/18/92/46/1129189246.db2.gz CVBRKDYDHPMFFE-UHFFFAOYSA-N 0 1 293.457 3.631 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1csc(Nc2ccccc2)n1 ZINC000635996994 1129196369 /nfs/dbraw/zinc/19/63/69/1129196369.db2.gz MXGCFFJFFUZVEM-GFCCVEGCSA-N 0 1 287.432 3.539 20 0 CHADMN COc1ccccc1CN(C)Cc1sccc1C ZINC000171100124 1129202710 /nfs/dbraw/zinc/20/27/10/1129202710.db2.gz OUCPZOGSTMJQOO-UHFFFAOYSA-N 0 1 261.390 3.697 20 0 CHADMN CCOc1ncccc1CN[C@@H]1CCCc2ccc(C)cc21 ZINC000166119705 1129220581 /nfs/dbraw/zinc/22/05/81/1129220581.db2.gz FSCPYTGJPUITSY-GOSISDBHSA-N 0 1 296.414 3.956 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)on1 ZINC000299060797 1129228662 /nfs/dbraw/zinc/22/86/62/1129228662.db2.gz LWBCDWARYXHCAC-HNNXBMFYSA-N 0 1 276.355 3.999 20 0 CHADMN COc1cccc(-c2cc(N3CCCCC3)ccn2)c1 ZINC001239519051 1131359591 /nfs/dbraw/zinc/35/95/91/1131359591.db2.gz BLNVGINAGHTNFL-UHFFFAOYSA-N 0 1 268.360 3.748 20 0 CHADMN COc1cccc(C[N@@H+](C)Cc2ccc(C(F)F)nc2)c1 ZINC000637844622 1129231896 /nfs/dbraw/zinc/23/18/96/1129231896.db2.gz POAVXVKLENONPY-UHFFFAOYSA-N 0 1 292.329 3.660 20 0 CHADMN COc1cccc(CN(C)Cc2ccc(C(F)F)nc2)c1 ZINC000637844622 1129231900 /nfs/dbraw/zinc/23/19/00/1129231900.db2.gz POAVXVKLENONPY-UHFFFAOYSA-N 0 1 292.329 3.660 20 0 CHADMN CO[C@@](C)(CN(C)Cc1nc2ccccc2s1)C1CC1 ZINC000637875829 1129233125 /nfs/dbraw/zinc/23/31/25/1129233125.db2.gz HWBJFZDELHUMOU-INIZCTEOSA-N 0 1 290.432 3.543 20 0 CHADMN CN(Cc1ccns1)[C@H]1CCCc2ccccc21 ZINC000637868509 1129233669 /nfs/dbraw/zinc/23/36/69/1129233669.db2.gz OBBGKFQETIOAKS-HNNXBMFYSA-N 0 1 258.390 3.653 20 0 CHADMN Cc1ncc([C@@H](C)N(Cc2ccccc2)C2CC2)c(C)n1 ZINC000637888640 1129234116 /nfs/dbraw/zinc/23/41/16/1129234116.db2.gz JZJNSSOUOSEPFB-CQSZACIVSA-N 0 1 281.403 3.819 20 0 CHADMN Cc1ncc([C@@H](C)N2C3CCCC2CCC3)c(C)n1 ZINC000638125411 1129244882 /nfs/dbraw/zinc/24/48/82/1129244882.db2.gz WOKCOBXIIHFHEC-LRVUVFPRSA-N 0 1 259.397 3.561 20 0 CHADMN CC(C)c1n[nH]c(COC(=O)C[C@@H](C)C2CCCCC2)n1 ZINC000795372417 1129247020 /nfs/dbraw/zinc/24/70/20/1129247020.db2.gz FMXHZZDILKIPNP-GFCCVEGCSA-N 0 1 293.411 3.578 20 0 CHADMN CC(C)c1nc(COC(=O)C[C@@H](C)C2CCCCC2)n[nH]1 ZINC000795372417 1129247025 /nfs/dbraw/zinc/24/70/25/1129247025.db2.gz FMXHZZDILKIPNP-GFCCVEGCSA-N 0 1 293.411 3.578 20 0 CHADMN COc1c(Cl)cccc1CN[C@H](C)c1cccnc1 ZINC000901655638 1129250037 /nfs/dbraw/zinc/25/00/37/1129250037.db2.gz UPBWJEDVZQZCBI-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN COc1cc(CNCc2ccccc2C)c(Cl)cc1O ZINC000638281409 1129251638 /nfs/dbraw/zinc/25/16/38/1129251638.db2.gz MFXCKSZCASANHH-UHFFFAOYSA-N 0 1 291.778 3.652 20 0 CHADMN COc1cc(CNCc2ccc(C)cc2)c(Cl)cc1O ZINC000638292563 1129252779 /nfs/dbraw/zinc/25/27/79/1129252779.db2.gz DOLMHVDNDZQDOK-UHFFFAOYSA-N 0 1 291.778 3.652 20 0 CHADMN Cc1cnc(CNCC(C)(C)c2ccc(Cl)cc2)o1 ZINC000638402924 1129257193 /nfs/dbraw/zinc/25/71/93/1129257193.db2.gz FURPHYPGWMZYRM-UHFFFAOYSA-N 0 1 278.783 3.704 20 0 CHADMN COc1ncc(CN[C@@H]2CCc3cc(Cl)ccc32)s1 ZINC000638428095 1129258628 /nfs/dbraw/zinc/25/86/28/1129258628.db2.gz YTSGDCCAMVQZOS-CYBMUJFWSA-N 0 1 294.807 3.582 20 0 CHADMN Cc1cc(C)c(CNCc2cc(C3CC3)no2)c(C)c1 ZINC000638444966 1129258805 /nfs/dbraw/zinc/25/88/05/1129258805.db2.gz LEDKKKSCTHMSBX-UHFFFAOYSA-N 0 1 270.376 3.767 20 0 CHADMN Cc1cc(CNCc2ccc3[nH]c(C)c(C)c3c2)sn1 ZINC000638445465 1129259490 /nfs/dbraw/zinc/25/94/90/1129259490.db2.gz GVAFQLHKCXQBRF-UHFFFAOYSA-N 0 1 285.416 3.839 20 0 CHADMN Cc1cc(F)ccc1CNCc1cnc(Cl)s1 ZINC000718201613 1129259495 /nfs/dbraw/zinc/25/94/95/1129259495.db2.gz WCPJKUHCVWFWQS-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN Cc1cnc(CNCCc2cc(Cl)cc(Cl)c2)o1 ZINC000638451936 1129259609 /nfs/dbraw/zinc/25/96/09/1129259609.db2.gz OMYWAOFJBNBNIS-UHFFFAOYSA-N 0 1 285.174 3.622 20 0 CHADMN C[C@H]1Cc2ccccc2[C@H]1NCc1cc(C2CC2)no1 ZINC000638524177 1129261298 /nfs/dbraw/zinc/26/12/98/1129261298.db2.gz LMNWBWXTVLSTRA-GTNSWQLSSA-N 0 1 268.360 3.575 20 0 CHADMN c1ccc(C[C@@H]2C[C@@H]2NCc2nc3ccccc3o2)cc1 ZINC000638633578 1129264553 /nfs/dbraw/zinc/26/45/53/1129264553.db2.gz AFTLHWOMQQHROL-ZBFHGGJFSA-N 0 1 278.355 3.549 20 0 CHADMN C[C@@H](c1cnn(C)c1)N(C)Cc1cccc(C(F)F)c1 ZINC000348049647 1129274620 /nfs/dbraw/zinc/27/46/20/1129274620.db2.gz PJNQDHKSUVHOJS-NSHDSACASA-N 0 1 279.334 3.551 20 0 CHADMN CN(Cc1ccc(CC(F)(F)F)cc1)Cc1ccccn1 ZINC000639040733 1129277467 /nfs/dbraw/zinc/27/74/67/1129277467.db2.gz AKXHXKZXIXIKDW-UHFFFAOYSA-N 0 1 294.320 3.818 20 0 CHADMN CO[C@H](C)c1nc(CN[C@H]2CC[C@H]2C(C)(C)C)cs1 ZINC000348077275 1129277681 /nfs/dbraw/zinc/27/76/81/1129277681.db2.gz GUPMQBBQMGDZLR-RTXFEEFZSA-N 0 1 282.453 3.765 20 0 CHADMN CN(Cc1ccncc1)Cc1ccccc1CC(F)(F)F ZINC000639040896 1129278025 /nfs/dbraw/zinc/27/80/25/1129278025.db2.gz OYGPYSPQNYXYQZ-UHFFFAOYSA-N 0 1 294.320 3.818 20 0 CHADMN c1c(CNC[C@@H]2CCC3(CCCCC3)O2)onc1C1CC1 ZINC000639097789 1129280518 /nfs/dbraw/zinc/28/05/18/1129280518.db2.gz DPNFYWYNQHCROV-AWEZNQCLSA-N 0 1 290.407 3.524 20 0 CHADMN FC(F)c1ccc(CN2CC[C@H](CC(F)(F)F)C2)cn1 ZINC000639104878 1129281515 /nfs/dbraw/zinc/28/15/15/1129281515.db2.gz HEBWCQFLSAFPCG-SECBINFHSA-N 0 1 294.267 3.794 20 0 CHADMN Cc1nonc1CN(Cc1ccccc1)C1CCCCC1 ZINC000733898121 1129283325 /nfs/dbraw/zinc/28/33/25/1129283325.db2.gz XHSCUMNLMPHBPB-UHFFFAOYSA-N 0 1 285.391 3.713 20 0 CHADMN COCCCC[C@@H](NCc1ccns1)c1ccccc1 ZINC000639120398 1129283745 /nfs/dbraw/zinc/28/37/45/1129283745.db2.gz HDDZVXRENXGBLY-MRXNPFEDSA-N 0 1 290.432 3.791 20 0 CHADMN CC[C@](C)(CN[C@H](c1ccc(C)cc1)c1ccccn1)OC ZINC000639121047 1129284374 /nfs/dbraw/zinc/28/43/74/1129284374.db2.gz XJJIFIUEBMDHCR-RTBURBONSA-N 0 1 298.430 3.884 20 0 CHADMN Cn1ccnc1[C@H](C1CC1)N1CCC=C(c2ccccc2)C1 ZINC000639149687 1129287222 /nfs/dbraw/zinc/28/72/22/1129287222.db2.gz STNHHCXBVWVEPN-SFHVURJKSA-N 0 1 293.414 3.661 20 0 CHADMN FC(F)c1ccc(CN2CCC[C@@H]2c2ccncc2)cn1 ZINC000639168758 1129288611 /nfs/dbraw/zinc/28/86/11/1129288611.db2.gz XWGAZJREGGERBD-OAHLLOKOSA-N 0 1 289.329 3.751 20 0 CHADMN CCc1nnc(CNC2CCC(=C3CCC3)CC2)s1 ZINC000639194401 1129291829 /nfs/dbraw/zinc/29/18/29/1129291829.db2.gz BZOXYACTYXDPSS-UHFFFAOYSA-N 0 1 277.437 3.613 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3c(F)cccc32)sn1 ZINC000639215937 1129293137 /nfs/dbraw/zinc/29/31/37/1129293137.db2.gz MFICNXAEGHSIKU-HNNXBMFYSA-N 0 1 276.380 3.758 20 0 CHADMN COc1cccc(C)c1CNCc1cnccc1C(C)(C)C ZINC000639262274 1129297739 /nfs/dbraw/zinc/29/77/39/1129297739.db2.gz HKBARBSVIAPQPK-UHFFFAOYSA-N 0 1 298.430 3.986 20 0 CHADMN Cc1nnsc1CNCc1ccc(C)c2ccccc12 ZINC000639262632 1129297796 /nfs/dbraw/zinc/29/77/96/1129297796.db2.gz UNWSGJVAAVNTMT-UHFFFAOYSA-N 0 1 283.400 3.598 20 0 CHADMN Cc1ccc(C2(N[C@@H](c3nccn3C)C3CC3)CCC2)cc1 ZINC000639287567 1129300128 /nfs/dbraw/zinc/30/01/28/1129300128.db2.gz MHYBIKUEXWAGBV-QGZVFWFLSA-N 0 1 295.430 3.849 20 0 CHADMN Cc1cccc([C@H](O)CN[C@H](C)c2c(F)cccc2F)c1 ZINC000090521137 1129303572 /nfs/dbraw/zinc/30/35/72/1129303572.db2.gz TURPVXCNDSCANU-MLGOLLRUSA-N 0 1 291.341 3.657 20 0 CHADMN CC(C)Cc1ccccc1CNCc1ccns1 ZINC000639344334 1129304529 /nfs/dbraw/zinc/30/45/29/1129304529.db2.gz XKFRMGMIECXLTM-UHFFFAOYSA-N 0 1 260.406 3.631 20 0 CHADMN FC(F)(F)c1ccc2c(c1)CN(CCC[C@H]1CCO1)CC2 ZINC000639358604 1129306328 /nfs/dbraw/zinc/30/63/28/1129306328.db2.gz NIFFVHOHIOQRGP-HNNXBMFYSA-N 0 1 299.336 3.633 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN1CC(c2ccccc2)C1 ZINC000639361663 1129306816 /nfs/dbraw/zinc/30/68/16/1129306816.db2.gz MITSOJUWVAWUCI-UHFFFAOYSA-N 0 1 297.446 3.854 20 0 CHADMN COCc1csc(CN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000639387892 1129309449 /nfs/dbraw/zinc/30/94/49/1129309449.db2.gz YTYOBOUNDREIFV-LLVKDONJSA-N 0 1 293.354 3.669 20 0 CHADMN COc1cccc(-c2nc(CN3CCC(C)CC3)co2)c1 ZINC000639445830 1129315865 /nfs/dbraw/zinc/31/58/65/1129315865.db2.gz SUFUNPPWFUNMDX-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN Fc1ccc(CN(C/C=C\Cl)CC2CC2)cc1 ZINC000734640622 1129316688 /nfs/dbraw/zinc/31/66/88/1129316688.db2.gz UBMRHRNBNARGJW-QPIMQUGISA-N 0 1 253.748 3.790 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1c(C)cc(C)nc1C ZINC000639562815 1129323971 /nfs/dbraw/zinc/32/39/71/1129323971.db2.gz XSDZWZJLGQNZLS-CQSZACIVSA-N 0 1 284.403 3.866 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2cccc(O)c2)c(C)n1 ZINC000639582959 1129324821 /nfs/dbraw/zinc/32/48/21/1129324821.db2.gz VPUFDLPRKQOPQH-ZDUSSCGKSA-N 0 1 270.376 3.563 20 0 CHADMN CC(C)(NCc1cccc2c1CCOC2)c1ccccc1F ZINC000639654852 1129327971 /nfs/dbraw/zinc/32/79/71/1129327971.db2.gz OWKJTAIMJUOFPU-UHFFFAOYSA-N 0 1 299.389 3.923 20 0 CHADMN CC1=Nc2ccccc2C12CCN(Cc1ccns1)CC2 ZINC000639727241 1129331364 /nfs/dbraw/zinc/33/13/64/1129331364.db2.gz DPUJHSPIRNDQTJ-UHFFFAOYSA-N 0 1 297.427 3.783 20 0 CHADMN Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3c3cn[nH]c3)cc2c1 ZINC000639775927 1129332661 /nfs/dbraw/zinc/33/26/61/1129332661.db2.gz HUKMIHPHHOTMBJ-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1ccc2ncc(CN3CCC[C@@H]3c3cn[nH]c3)cc2c1 ZINC000639775927 1129332666 /nfs/dbraw/zinc/33/26/66/1129332666.db2.gz HUKMIHPHHOTMBJ-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639777270 1129332939 /nfs/dbraw/zinc/33/29/39/1129332939.db2.gz KARSJQORZBBTCY-GOSISDBHSA-N 0 1 298.434 3.828 20 0 CHADMN CCc1nc(C(C)C)ccc1CN1CCC[C@@H]1c1cn[nH]c1 ZINC000639777270 1129332942 /nfs/dbraw/zinc/33/29/42/1129332942.db2.gz KARSJQORZBBTCY-GOSISDBHSA-N 0 1 298.434 3.828 20 0 CHADMN C[C@H](NCc1nc2c(s1)CCC2)c1cccs1 ZINC000719583999 1129345810 /nfs/dbraw/zinc/34/58/10/1129345810.db2.gz PJUCCCNWLQQKJC-VIFPVBQESA-N 0 1 264.419 3.544 20 0 CHADMN CCc1nnc([C@H](C)N2CCC[C@@H](C3CCC3)CC2)o1 ZINC000640105713 1129348235 /nfs/dbraw/zinc/34/82/35/1129348235.db2.gz IHBTWGUEZNDBDM-GXTWGEPZSA-N 0 1 277.412 3.595 20 0 CHADMN Cc1nc(CN2CCC[C@@H](C3CCC3)CC2)oc1C ZINC000640106614 1129348964 /nfs/dbraw/zinc/34/89/64/1129348964.db2.gz RSTNTMPPZXMQEE-OAHLLOKOSA-N 0 1 262.397 3.694 20 0 CHADMN COc1ccc(C(C)C)cc1CN[C@H]1CCCn2nccc21 ZINC000640221213 1129352042 /nfs/dbraw/zinc/35/20/42/1129352042.db2.gz UWBZREFNTRPFDS-INIZCTEOSA-N 0 1 299.418 3.640 20 0 CHADMN C[C@]1(C2CCCCC2)CCN1Cc1nccs1 ZINC000640220515 1129352141 /nfs/dbraw/zinc/35/21/41/1129352141.db2.gz URJQXDOOJZZDIS-CQSZACIVSA-N 0 1 250.411 3.688 20 0 CHADMN O=C(Nc1cccc(C2CCC2)c1)c1cc(C(F)F)n[nH]1 ZINC000640349213 1129355717 /nfs/dbraw/zinc/35/57/17/1129355717.db2.gz SYNHSEKSVALDTR-UHFFFAOYSA-N 0 1 291.301 3.867 20 0 CHADMN CCc1n[nH]cc1-c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC001212885581 1129361570 /nfs/dbraw/zinc/36/15/70/1129361570.db2.gz OPZGNAIEXWPOAR-UHFFFAOYSA-N 0 1 296.374 3.987 20 0 CHADMN C[C@H](N[C@H]1CCCc2cccnc21)c1cccc(O)c1 ZINC000091661005 1129367894 /nfs/dbraw/zinc/36/78/94/1129367894.db2.gz HVCJEVJKCQEARL-LRDDRELGSA-N 0 1 268.360 3.515 20 0 CHADMN CC(=O)Nc1cccc(-c2ccc(F)c(CN(C)C)c2)c1 ZINC001239532690 1131370309 /nfs/dbraw/zinc/37/03/09/1131370309.db2.gz HUSUZZZYDSJESW-UHFFFAOYSA-N 0 1 286.350 3.513 20 0 CHADMN COCOc1cccc(Nc2cc(C)nc3ccccc32)c1 ZINC001212895104 1129381558 /nfs/dbraw/zinc/38/15/58/1129381558.db2.gz JDBSWZGWIATTLN-UHFFFAOYSA-N 0 1 294.354 3.691 20 0 CHADMN CSc1ccc(CN[C@@H]2CCc3ccccc32)o1 ZINC000641705171 1129387506 /nfs/dbraw/zinc/38/75/06/1129387506.db2.gz ZYQRWGJXRFMTML-CQSZACIVSA-N 0 1 259.374 3.779 20 0 CHADMN CSc1ccc(CN[C@@H](c2cccnc2)C2CC2)o1 ZINC000641742958 1129390069 /nfs/dbraw/zinc/39/00/69/1129390069.db2.gz DGGWIHKXNBLRSL-OAHLLOKOSA-N 0 1 274.389 3.637 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1cccc(N(C)C)c1 ZINC001240984954 1129391176 /nfs/dbraw/zinc/39/11/76/1129391176.db2.gz IUOUTEDURXNFGI-UHFFFAOYSA-N 0 1 251.333 3.604 20 0 CHADMN c1nc(C2CC2)c(CNc2ccc3c[nH]nc3c2)s1 ZINC000641783136 1129392337 /nfs/dbraw/zinc/39/23/37/1129392337.db2.gz PKBIWVWYVQQVBF-UHFFFAOYSA-N 0 1 270.361 3.509 20 0 CHADMN CC[C@](C)(NCc1nccn1C(F)F)c1ccccc1 ZINC000738430150 1129393887 /nfs/dbraw/zinc/39/38/87/1129393887.db2.gz KVFPAUWASPMXPB-HNNXBMFYSA-N 0 1 279.334 3.693 20 0 CHADMN CC[C@@H](NC[C@H](OC)C(F)(F)F)c1ccc(F)cc1F ZINC000738424151 1129394324 /nfs/dbraw/zinc/39/43/24/1129394324.db2.gz JBJPWJFRHLFYTN-NEPJUHHUSA-N 0 1 297.267 3.583 20 0 CHADMN C[C@@H]1CCCCN1Cc1coc(-c2ccc(F)cc2)n1 ZINC000641849465 1129395198 /nfs/dbraw/zinc/39/51/98/1129395198.db2.gz APMWZWPSEWTDFF-GFCCVEGCSA-N 0 1 274.339 3.855 20 0 CHADMN COc1c(C)cc(-c2cncc3nc(C)[nH]c32)cc1C ZINC001241019112 1129405841 /nfs/dbraw/zinc/40/58/41/1129405841.db2.gz BXPDEENSQCMNFW-UHFFFAOYSA-N 0 1 267.332 3.559 20 0 CHADMN COc1c(C)cc(-c2cncc3[nH]c(C)nc32)cc1C ZINC001241019112 1129405842 /nfs/dbraw/zinc/40/58/42/1129405842.db2.gz BXPDEENSQCMNFW-UHFFFAOYSA-N 0 1 267.332 3.559 20 0 CHADMN Cc1ccc(-c2noc(CN(C)[C@H](C)C(C)(C)C)n2)cc1 ZINC000642095219 1129406232 /nfs/dbraw/zinc/40/62/32/1129406232.db2.gz FEUCIVWYXJTZNJ-CYBMUJFWSA-N 0 1 287.407 3.911 20 0 CHADMN COc1ccc(C)cc1CNCc1cc(C)c(O)c(C)c1 ZINC000642102983 1129406338 /nfs/dbraw/zinc/40/63/38/1129406338.db2.gz PVBAVLOCVYZUJX-UHFFFAOYSA-N 0 1 285.387 3.616 20 0 CHADMN COc1cc(F)cc(-c2ccc3nc(C)[nH]c3c2)c1 ZINC001241029460 1129410619 /nfs/dbraw/zinc/41/06/19/1129410619.db2.gz GQPJPKJCBCHPJG-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CCOC(=O)CN(CCCc1ccc(Cl)cc1)C(C)C ZINC000740875187 1129422146 /nfs/dbraw/zinc/42/21/46/1129422146.db2.gz KHXBHIMSUXTDGN-UHFFFAOYSA-N 0 1 297.826 3.546 20 0 CHADMN CC(C)C[C@@H]1CCCCCN1Cc1ncc(Cl)n1C ZINC000740886941 1129422465 /nfs/dbraw/zinc/42/24/65/1129422465.db2.gz HMAHUFRHQQYNFS-ZDUSSCGKSA-N 0 1 283.847 3.864 20 0 CHADMN CCc1nnc(CN(C)[C@@H]2CCC[C@@H]2C(C)(C)C)s1 ZINC000642718862 1129424381 /nfs/dbraw/zinc/42/43/81/1129424381.db2.gz ZKQAVFOMKXJHEC-NWDGAFQWSA-N 0 1 281.469 3.747 20 0 CHADMN CCc1nnc(CNC(C)(C)Cc2ccc(C)cc2)s1 ZINC000642718460 1129424711 /nfs/dbraw/zinc/42/47/11/1129424711.db2.gz BUKWGVKCZFPKRT-UHFFFAOYSA-N 0 1 289.448 3.520 20 0 CHADMN CC(C)[C@@H](C(=O)OCc1ccccc1Cl)N1CCCC1 ZINC000741013593 1129426464 /nfs/dbraw/zinc/42/64/64/1129426464.db2.gz LQRLVDKTTCZPMT-HNNXBMFYSA-N 0 1 295.810 3.504 20 0 CHADMN C[C@H](OC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)c1cccc(F)c1 ZINC000741020655 1129426482 /nfs/dbraw/zinc/42/64/82/1129426482.db2.gz LKPUMRXCWIHGTM-CRWXNKLISA-N 0 1 293.382 3.691 20 0 CHADMN CC(C)[C@H](C(=O)OCc1ccccc1Cl)N1CCCC1 ZINC000741013594 1129426527 /nfs/dbraw/zinc/42/65/27/1129426527.db2.gz LQRLVDKTTCZPMT-OAHLLOKOSA-N 0 1 295.810 3.504 20 0 CHADMN C[C@@H](C(=O)OC/C=C/c1ccccc1)N1CCCCCC1 ZINC000741033304 1129426664 /nfs/dbraw/zinc/42/66/64/1129426664.db2.gz PDVQKHFVJPSWCB-YHVDPYDOSA-N 0 1 287.403 3.508 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N(CC)CC(C)(C)C)o1 ZINC000643328212 1129438603 /nfs/dbraw/zinc/43/86/03/1129438603.db2.gz JMIBNMAECHJOQS-UHFFFAOYSA-N 0 1 294.439 3.630 20 0 CHADMN COCC1(CN2CCc3[nH]c4ccc(C)cc4c3C2)CCC1 ZINC000643374867 1129440628 /nfs/dbraw/zinc/44/06/28/1129440628.db2.gz RWVSUKVQXUDUEE-UHFFFAOYSA-N 0 1 298.430 3.651 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1cccc(C(F)(F)F)c1 ZINC000179979655 1129440761 /nfs/dbraw/zinc/44/07/61/1129440761.db2.gz HDLBBXSBRHMKRV-SECBINFHSA-N 0 1 283.297 3.588 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094525600 1129446674 /nfs/dbraw/zinc/44/66/74/1129446674.db2.gz KWUYLDDFKUWKLE-SFHVURJKSA-N 0 1 287.403 3.641 20 0 CHADMN Clc1cccc(-c2cnc([C@H]3CCCCN3)nc2)c1 ZINC000094576884 1129447645 /nfs/dbraw/zinc/44/76/45/1129447645.db2.gz PQUDQPFFEOJJMN-CQSZACIVSA-N 0 1 273.767 3.612 20 0 CHADMN CC(C)Cn1ccnc1NCc1cncc2ccccc21 ZINC000795804875 1129449600 /nfs/dbraw/zinc/44/96/00/1129449600.db2.gz DVBFPDQPHOIEIQ-UHFFFAOYSA-N 0 1 280.375 3.699 20 0 CHADMN CCCOC(=O)[C@H](C)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000741798060 1129454148 /nfs/dbraw/zinc/45/41/48/1129454148.db2.gz ZQNTYXSNOCAODK-JYJNAYRXSA-N 0 1 289.419 3.515 20 0 CHADMN Fc1cnc(Cl)c(CN2CCC[C@H]3CCC[C@@H]32)c1 ZINC001138893515 1129455337 /nfs/dbraw/zinc/45/53/37/1129455337.db2.gz GSMYSPFNBBEPOF-MFKMUULPSA-N 0 1 268.763 3.639 20 0 CHADMN C[C@@H](c1ccccc1F)[N@@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000249715265 1129456637 /nfs/dbraw/zinc/45/66/37/1129456637.db2.gz HXMZOJIRMILCOU-YVEFUNNKSA-N 0 1 291.341 3.691 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)C[C@@H](O)c1ccc(F)cc1 ZINC000249715265 1129456639 /nfs/dbraw/zinc/45/66/39/1129456639.db2.gz HXMZOJIRMILCOU-YVEFUNNKSA-N 0 1 291.341 3.691 20 0 CHADMN FCCN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000796138683 1129467170 /nfs/dbraw/zinc/46/71/70/1129467170.db2.gz BKAYXOHEDIRTCV-GFCCVEGCSA-N 0 1 275.289 3.854 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC001437273269 1129469199 /nfs/dbraw/zinc/46/91/99/1129469199.db2.gz QCAZXZGUZGYDLX-TWMKSMIVSA-N 0 1 296.499 3.923 20 0 CHADMN Cc1cc(N[C@@H](c2nnc[nH]2)C2CCCCC2)ccc1F ZINC000644541847 1129469646 /nfs/dbraw/zinc/46/96/46/1129469646.db2.gz WCEGQZIOZVQWIR-OAHLLOKOSA-N 0 1 288.370 3.986 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1ccc(C2CC2)cc1F ZINC000644548650 1129469748 /nfs/dbraw/zinc/46/97/48/1129469748.db2.gz ZJOPKNKRDBMOMU-SNVBAGLBSA-N 0 1 273.355 3.585 20 0 CHADMN Cc1ccc(CNCc2c(C)cccc2F)cc1F ZINC000742380789 1129472724 /nfs/dbraw/zinc/47/27/24/1129472724.db2.gz KWJKZGKDNCIQMN-UHFFFAOYSA-N 0 1 261.315 3.871 20 0 CHADMN Cc1cccc(F)c1CNCc1ccc(F)c(C)c1 ZINC000742381374 1129473042 /nfs/dbraw/zinc/47/30/42/1129473042.db2.gz SBNYDYWKWLNUMY-UHFFFAOYSA-N 0 1 261.315 3.871 20 0 CHADMN Cc1cccc(F)c1CNCc1ccc(F)cc1C ZINC000742381485 1129473139 /nfs/dbraw/zinc/47/31/39/1129473139.db2.gz VOMCEPZJZHGJCB-UHFFFAOYSA-N 0 1 261.315 3.871 20 0 CHADMN Cc1ccc(OC(F)F)c(CN2CC[C@H](C(F)F)C2)c1 ZINC000644680049 1129474375 /nfs/dbraw/zinc/47/43/75/1129474375.db2.gz RNGKXZWEABNWAP-JTQLQIEISA-N 0 1 291.288 3.683 20 0 CHADMN CCC/C(C)=C/C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000742400757 1129478234 /nfs/dbraw/zinc/47/82/34/1129478234.db2.gz KCTFICGQCLHVBA-ZQHYZAEZSA-N 0 1 292.423 3.525 20 0 CHADMN CC(C)n1cncc1CN1CCC[C@H]1c1ccc(O)cc1 ZINC000644901134 1129480387 /nfs/dbraw/zinc/48/03/87/1129480387.db2.gz VXINWFLGEQZWNG-KRWDZBQOSA-N 0 1 285.391 3.507 20 0 CHADMN Cc1ccc([C@@H](C)C(=O)Nc2ccc3nc(C)[nH]c3c2)o1 ZINC000742504160 1129482475 /nfs/dbraw/zinc/48/24/75/1129482475.db2.gz VFWOZKNETIFCIX-SNVBAGLBSA-N 0 1 283.331 3.515 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@@H]1CCC[C@@H]1F ZINC000645062505 1129486254 /nfs/dbraw/zinc/48/62/54/1129486254.db2.gz CCMQNBRXZWOPJM-GXFFZTMASA-N 0 1 278.302 3.685 20 0 CHADMN CCCCC[C@@H](CCC)N1CCc2cnn(C)c2C1 ZINC001258673046 1129486809 /nfs/dbraw/zinc/48/68/09/1129486809.db2.gz HYEKMKOAFNDWSD-OAHLLOKOSA-N 0 1 263.429 3.527 20 0 CHADMN Cc1sccc1CN[C@@H](Cn1cccn1)c1ccccc1 ZINC000645157509 1129489463 /nfs/dbraw/zinc/48/94/63/1129489463.db2.gz SWXNUTJYVIJEEQ-KRWDZBQOSA-N 0 1 297.427 3.784 20 0 CHADMN [O-]c1cccc(C[NH2+]CCCc2cccs2)c1Cl ZINC000645171257 1129489993 /nfs/dbraw/zinc/48/99/93/1129489993.db2.gz GQILPIMXFAELSU-UHFFFAOYSA-N 0 1 281.808 3.830 20 0 CHADMN C/C(=C/C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1)C(C)(C)C ZINC000742664144 1129493478 /nfs/dbraw/zinc/49/34/78/1129493478.db2.gz PNBSDLYGDSDIJT-BENRWUELSA-N 0 1 298.390 3.711 20 0 CHADMN Cc1nc2c[nH]cc(-c3ccccc3C(F)(F)F)c-2n1 ZINC001239546417 1131378166 /nfs/dbraw/zinc/37/81/66/1131378166.db2.gz YYCHGKWIABYVGP-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN Cc1nc2c(cncc2-c2ccccc2C(F)(F)F)[nH]1 ZINC001239546417 1131378171 /nfs/dbraw/zinc/37/81/71/1131378171.db2.gz YYCHGKWIABYVGP-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN Cn1c2ccccc2nc1[C@@H]1CCCN1CC1=CCCC1 ZINC000645833221 1129508312 /nfs/dbraw/zinc/50/83/12/1129508312.db2.gz DIMVHVBXDQZVFQ-KRWDZBQOSA-N 0 1 281.403 3.821 20 0 CHADMN Fc1cccc(F)c1CCN1CCC[C@@H]1c1cccnc1 ZINC000645841909 1129509307 /nfs/dbraw/zinc/50/93/07/1129509307.db2.gz WBORPAXQSVECEC-QGZVFWFLSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1cccc(C)c1CN(Cc1cnns1)CC(C)C ZINC000645973443 1129514972 /nfs/dbraw/zinc/51/49/72/1129514972.db2.gz NAGZFNMONSVHGV-UHFFFAOYSA-N 0 1 289.448 3.813 20 0 CHADMN Cc1noc(C)c1CNC1(c2cccc(F)c2)CCC1 ZINC000646001916 1129516426 /nfs/dbraw/zinc/51/64/26/1129516426.db2.gz YWPJKGDJTURNKD-UHFFFAOYSA-N 0 1 274.339 3.600 20 0 CHADMN COc1ccccc1C1(NCc2ccc(F)cc2)CC1 ZINC000645998647 1129516476 /nfs/dbraw/zinc/51/64/76/1129516476.db2.gz MHVUFVSJSRLSHR-UHFFFAOYSA-N 0 1 271.335 3.613 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@H](C)c2ccc(Cl)cc2)C1 ZINC000251225833 1129516523 /nfs/dbraw/zinc/51/65/23/1129516523.db2.gz JUABXEUXTCONRZ-WBMJQRKESA-N 0 1 295.810 3.978 20 0 CHADMN Cc1cccc(C2(NCc3ccnn3C(C)C)CCC2)c1 ZINC000646022494 1129517952 /nfs/dbraw/zinc/51/79/52/1129517952.db2.gz JXKPGAZPHNHHEJ-UHFFFAOYSA-N 0 1 283.419 3.941 20 0 CHADMN CC1(C)CCC[C@@H]1[C@H]1CCN(Cc2nnc(C3CC3)o2)C1 ZINC000646049738 1129518961 /nfs/dbraw/zinc/51/89/61/1129518961.db2.gz UJSSAQILRUIVJG-UONOGXRCSA-N 0 1 289.423 3.595 20 0 CHADMN CCCN(CCC)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743352567 1129520601 /nfs/dbraw/zinc/52/06/01/1129520601.db2.gz PNIRFNMCUZQXMA-OAHLLOKOSA-N 0 1 294.826 3.693 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@H](C)c2cccc(Cl)c2)C1 ZINC000251289713 1129521538 /nfs/dbraw/zinc/52/15/38/1129521538.db2.gz RJHMOMXZSNRYBQ-MLGOLLRUSA-N 0 1 295.810 3.978 20 0 CHADMN CC[C@@H](NCc1n[nH]c(C(C)C)n1)c1csc(C)c1 ZINC000646127958 1129524792 /nfs/dbraw/zinc/52/47/92/1129524792.db2.gz YOZDEOCBFSQFPV-GFCCVEGCSA-N 0 1 278.425 3.539 20 0 CHADMN Cc1ccc2ncc(CN3C[C@@H](C)OC4(CCC4)C3)cc2c1 ZINC000646116390 1129524823 /nfs/dbraw/zinc/52/48/23/1129524823.db2.gz JCJIKFALPQMBBW-OAHLLOKOSA-N 0 1 296.414 3.687 20 0 CHADMN CC1=CC[C@@H](NCc2c(F)c(F)cc(F)c2F)CC1 ZINC000646145231 1129526103 /nfs/dbraw/zinc/52/61/03/1129526103.db2.gz QKWNOONXDDVCEF-SECBINFHSA-N 0 1 273.273 3.831 20 0 CHADMN C[C@H](NCC1(C)CCCC1)c1nc(Cc2ccccc2)no1 ZINC000743475737 1129527580 /nfs/dbraw/zinc/52/75/80/1129527580.db2.gz VLDLSXJNCAENRT-AWEZNQCLSA-N 0 1 299.418 3.891 20 0 CHADMN CC1(C)CN(Cc2conc2Cc2ccccc2)[C@@H]1C1CC1 ZINC000646205530 1129528538 /nfs/dbraw/zinc/52/85/38/1129528538.db2.gz MRWKJCKORMQCSL-GOSISDBHSA-N 0 1 296.414 3.886 20 0 CHADMN c1cc(Sc2ccccn2)oc1CN1CC(C2CC2)C1 ZINC000646205869 1129528898 /nfs/dbraw/zinc/52/88/98/1129528898.db2.gz GLGXDYIRWYLBLU-UHFFFAOYSA-N 0 1 286.400 3.668 20 0 CHADMN c1n[nH]cc1CN1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000646261984 1129530172 /nfs/dbraw/zinc/53/01/72/1129530172.db2.gz GCILRTWXEWKRJW-IBGZPJMESA-N 0 1 289.382 3.557 20 0 CHADMN C[C@H]1CCC[C@@H](C(=O)Nc2c(=O)[nH][nH]c2-c2ccccc2)C1 ZINC000646465018 1129537939 /nfs/dbraw/zinc/53/79/39/1129537939.db2.gz GBMRYROSBXYNFM-WCQYABFASA-N 0 1 299.374 3.547 20 0 CHADMN Fc1cccc(-n2ccc(CN3CCC4(CCCC4)C3)n2)c1 ZINC000743862733 1129543269 /nfs/dbraw/zinc/54/32/69/1129543269.db2.gz JPEJFXNJJOYRFE-UHFFFAOYSA-N 0 1 299.393 3.778 20 0 CHADMN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc([C@H]2CCCN2)no1 ZINC000647149073 1129552039 /nfs/dbraw/zinc/55/20/39/1129552039.db2.gz CYGXMTGWNAKQBS-SYQHCUMBSA-N 0 1 293.411 3.541 20 0 CHADMN C/C(=C\c1ccccc1Cl)c1nc([C@H]2CCCN2)no1 ZINC000647156932 1129552735 /nfs/dbraw/zinc/55/27/35/1129552735.db2.gz WBNZZMSLCHZBPS-WTNCMQEWSA-N 0 1 289.766 3.708 20 0 CHADMN CC[C@H](Sc1ccccc1)c1nc([C@@H]2CCCN2)no1 ZINC000647149495 1129553109 /nfs/dbraw/zinc/55/31/09/1129553109.db2.gz MYGVXOOWLBWNJS-STQMWFEESA-N 0 1 289.404 3.738 20 0 CHADMN CC(C)Cn1nccc1CNC1(c2ccccc2)CCC1 ZINC000647177445 1129554418 /nfs/dbraw/zinc/55/44/18/1129554418.db2.gz ZXTAKESXVJWNPY-UHFFFAOYSA-N 0 1 283.419 3.708 20 0 CHADMN CSc1ccc(CNCc2ccnn2CC(C)C)cc1 ZINC000647174937 1129554679 /nfs/dbraw/zinc/55/46/79/1129554679.db2.gz REBCEUJZKFRYAR-UHFFFAOYSA-N 0 1 289.448 3.551 20 0 CHADMN Cc1ccccc1C1(NCc2cncn2C(C)C)CC1 ZINC000647224404 1129557783 /nfs/dbraw/zinc/55/77/83/1129557783.db2.gz GDFGKAUKZBOQEH-UHFFFAOYSA-N 0 1 269.392 3.551 20 0 CHADMN COCc1ccc(CNC2(c3cccc(F)c3)CCC2)o1 ZINC000647233312 1129558879 /nfs/dbraw/zinc/55/88/79/1129558879.db2.gz FYOVHQGVLKLJKJ-UHFFFAOYSA-N 0 1 289.350 3.734 20 0 CHADMN Cc1cccc(CN[C@H](CCO)c2ccccc2F)c1C ZINC000647249359 1129560595 /nfs/dbraw/zinc/56/05/95/1129560595.db2.gz VDZKHTQXDBTSCK-GOSISDBHSA-N 0 1 287.378 3.656 20 0 CHADMN C=Cn1cc(CNC2(c3cccc(Cl)c3)CCC2)cn1 ZINC000647251828 1129560881 /nfs/dbraw/zinc/56/08/81/1129560881.db2.gz MALRXDSSXGPOMV-UHFFFAOYSA-N 0 1 287.794 3.806 20 0 CHADMN OCC[C@H](NCc1cccc(C2CC2)c1)c1ccccc1F ZINC000647250239 1129560925 /nfs/dbraw/zinc/56/09/25/1129560925.db2.gz RYDPBBINMFMVLW-IBGZPJMESA-N 0 1 299.389 3.916 20 0 CHADMN FCC1(NCc2cccc(OCC(F)(F)F)c2)CCC1 ZINC000647254784 1129561244 /nfs/dbraw/zinc/56/12/44/1129561244.db2.gz UQVYAGRPQWXWHB-UHFFFAOYSA-N 0 1 291.288 3.610 20 0 CHADMN C[C@H](N[C@@H]1CCCc2ccccc21)c1cc2n(n1)CCCC2 ZINC000647279905 1129563512 /nfs/dbraw/zinc/56/35/12/1129563512.db2.gz FLFSYSGCTUDFFB-KBXCAEBGSA-N 0 1 295.430 3.948 20 0 CHADMN CCCCCC[C@@](C)(CC)C(=O)N1CCCN(C)CC1 ZINC000744344248 1129570474 /nfs/dbraw/zinc/57/04/74/1129570474.db2.gz WNTZKEAVPOGVEK-QGZVFWFLSA-N 0 1 282.472 3.537 20 0 CHADMN Cc1ccc2c(c1)C1(CC2)CCN(Cc2cscn2)CC1 ZINC001137594884 1131382865 /nfs/dbraw/zinc/38/28/65/1131382865.db2.gz WDLALHSFXDHYDI-UHFFFAOYSA-N 0 1 298.455 3.932 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H](CCO)c2ccccc2F)c1 ZINC000647346115 1129573025 /nfs/dbraw/zinc/57/30/25/1129573025.db2.gz RJTOGYUYVBZVML-KSSFIOAISA-N 0 1 287.378 3.908 20 0 CHADMN Cc1ccc(C2(N[C@@H](C)c3cc4n(n3)CCC4)CCC2)cc1 ZINC000647353264 1129574065 /nfs/dbraw/zinc/57/40/65/1129574065.db2.gz VEHACEZHXQUTGW-HNNXBMFYSA-N 0 1 295.430 3.868 20 0 CHADMN Cc1nc2cc(Nc3ccc4c(c3)OCCCO4)ccc2[nH]1 ZINC001213073126 1129574537 /nfs/dbraw/zinc/57/45/37/1129574537.db2.gz FOIAMPJUTSBNFB-UHFFFAOYSA-N 0 1 295.342 3.776 20 0 CHADMN CCOC(=O)c1cc2nc(C=CC(C)(C)C)ccc2[nH]1 ZINC001241561165 1129580727 /nfs/dbraw/zinc/58/07/27/1129580727.db2.gz LIBJIVHXIZCCKM-CMDGGOBGSA-N 0 1 272.348 3.799 20 0 CHADMN Nc1cccc(CN2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000647889387 1129587354 /nfs/dbraw/zinc/58/73/54/1129587354.db2.gz LYEZUPPHPPQZRU-INIZCTEOSA-N 0 1 272.779 3.869 20 0 CHADMN Fc1cc(F)cc(CN2CCC[C@H](c3ccccn3)C2)c1 ZINC000647949917 1129588742 /nfs/dbraw/zinc/58/87/42/1129588742.db2.gz KVXINBPNQFKLDV-AWEZNQCLSA-N 0 1 288.341 3.739 20 0 CHADMN CC[C@H]1CN(Cc2coc(C)n2)CC[C@@H]1c1ccccc1 ZINC000647965935 1129589676 /nfs/dbraw/zinc/58/96/76/1129589676.db2.gz VNMPKRGPVKUXPV-YJBOKZPZSA-N 0 1 284.403 3.999 20 0 CHADMN CC1(CC(F)F)CN(Cc2nccc3ccccc32)C1 ZINC000648058277 1129594933 /nfs/dbraw/zinc/59/49/33/1129594933.db2.gz BBYQNOAFQJOKOR-UHFFFAOYSA-N 0 1 276.330 3.712 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CC=CC2)o1 ZINC000648069930 1129595964 /nfs/dbraw/zinc/59/59/64/1129595964.db2.gz SNQOSOCMEATGMY-SFHVURJKSA-N 0 1 297.398 3.748 20 0 CHADMN CCCN[C@@H](C)c1nc(CSc2ccc(F)cc2)no1 ZINC000097331233 1129596845 /nfs/dbraw/zinc/59/68/45/1129596845.db2.gz BMBZCYRFAGJCAS-JTQLQIEISA-N 0 1 295.383 3.562 20 0 CHADMN Cc1sccc1CN1C[C@H](C)OC2(CCCC2)C1 ZINC000648076649 1129597215 /nfs/dbraw/zinc/59/72/15/1129597215.db2.gz BWPUYFRLZGTADK-LBPRGKRZSA-N 0 1 265.422 3.590 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccc(Cl)cn1)CC2 ZINC000182112808 1129597737 /nfs/dbraw/zinc/59/77/37/1129597737.db2.gz FUJZQKYVIVMOLW-OAHLLOKOSA-N 0 1 276.742 3.651 20 0 CHADMN C[C@H](CCC(C)(C)C)NC(=O)[C@@H](N)c1cccc(Cl)c1 ZINC000648088176 1129597993 /nfs/dbraw/zinc/59/79/93/1129597993.db2.gz CLCALHIFENCDFU-RISCZKNCSA-N 0 1 296.842 3.671 20 0 CHADMN C[C@H](CCC(C)(C)C)NC(=O)[C@H](N)c1cccc(Cl)c1 ZINC000648088174 1129598304 /nfs/dbraw/zinc/59/83/04/1129598304.db2.gz CLCALHIFENCDFU-BXUZGUMPSA-N 0 1 296.842 3.671 20 0 CHADMN Cc1ncc([C@H](C)NC2(c3cccc(F)c3)CC2)s1 ZINC000182211021 1129600561 /nfs/dbraw/zinc/60/05/61/1129600561.db2.gz USBSUBWFROIJNL-JTQLQIEISA-N 0 1 276.380 3.931 20 0 CHADMN Cc1[nH]nc2ccc(-c3c(F)cc(F)cc3F)cc12 ZINC001241667928 1129601077 /nfs/dbraw/zinc/60/10/77/1129601077.db2.gz ASJFRRCFLKVZJK-UHFFFAOYSA-N 0 1 262.234 3.956 20 0 CHADMN FC(F)(F)Oc1ccc(-c2ccc3nc[nH]c3c2)cn1 ZINC001241698013 1129603648 /nfs/dbraw/zinc/60/36/48/1129603648.db2.gz RSJGYZIRBUWSFF-UHFFFAOYSA-N 0 1 279.221 3.524 20 0 CHADMN C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cc2cc(Cl)cnc2o1 ZINC000648374763 1129604429 /nfs/dbraw/zinc/60/44/29/1129604429.db2.gz WGKZRVVMTVLQAZ-ZJUUUORDSA-N 0 1 296.823 3.807 20 0 CHADMN FC(F)CC1CN(Cc2ccccc2N2CCCCC2)C1 ZINC000822520803 1131384873 /nfs/dbraw/zinc/38/48/73/1131384873.db2.gz PMXLPPZYYXKVKQ-UHFFFAOYSA-N 0 1 294.389 3.764 20 0 CHADMN CCOc1ccc(NCc2[nH]nc3ccccc32)cc1OC ZINC000746054147 1129624149 /nfs/dbraw/zinc/62/41/49/1129624149.db2.gz ZKOIRRAAZNOGAA-UHFFFAOYSA-N 0 1 297.358 3.582 20 0 CHADMN COc1ccc2nc(SC/C(Cl)=C/Cl)[nH]c2c1 ZINC000746138973 1129626893 /nfs/dbraw/zinc/62/68/93/1129626893.db2.gz HXFRYZJLVWHEQT-ALCCZGGFSA-N 0 1 289.187 3.983 20 0 CHADMN Cc1cccc([C@H](C)NCc2nc3c(s2)CCC3)c1 ZINC000648867054 1129628633 /nfs/dbraw/zinc/62/86/33/1129628633.db2.gz SEAVGEIZAWABTK-LBPRGKRZSA-N 0 1 272.417 3.791 20 0 CHADMN OCCC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000039129021 1129630928 /nfs/dbraw/zinc/63/09/28/1129630928.db2.gz XEDWHYNCYCMWHT-UHFFFAOYSA-N 0 1 288.218 3.588 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1ccc(Cl)c(C)c1 ZINC000186761177 1129634149 /nfs/dbraw/zinc/63/41/49/1129634149.db2.gz HQKVBXYXIRUWFZ-SNVBAGLBSA-N 0 1 263.772 3.531 20 0 CHADMN CCN(CC)c1ccc(N[C@H](C)Cc2cc(C)no2)cc1 ZINC001212968118 1129636863 /nfs/dbraw/zinc/63/68/63/1129636863.db2.gz KYLBAVUGTNBQRQ-CYBMUJFWSA-N 0 1 287.407 3.872 20 0 CHADMN c1ccc(OC2CC2)c(CN2[C@H]3C=CC[C@@H]2CC3)c1 ZINC000649394729 1129643301 /nfs/dbraw/zinc/64/33/01/1129643301.db2.gz JYPGCLALIVNYLA-LSDHHAIUSA-N 0 1 255.361 3.521 20 0 CHADMN C[C@@H](CO)c1ccc(-c2ccc(CN(C)C)c(F)c2)cc1 ZINC000649437871 1129648478 /nfs/dbraw/zinc/64/84/78/1129648478.db2.gz IJUXAUBJZVWJGY-ZDUSSCGKSA-N 0 1 287.378 3.650 20 0 CHADMN COCc1ccccc1-c1ccc(CN(C)C)c(F)c1 ZINC000649438121 1129648590 /nfs/dbraw/zinc/64/85/90/1129648590.db2.gz UYXYFBUSZDXWQK-UHFFFAOYSA-N 0 1 273.351 3.701 20 0 CHADMN CC(C)CC[C@@H](C)NCc1ncc(Br)s1 ZINC000380261580 1129651079 /nfs/dbraw/zinc/65/10/79/1129651079.db2.gz RRDNOMUXAKMINE-SECBINFHSA-N 0 1 291.258 3.820 20 0 CHADMN CCN(CCc1cncc(C)n1)Cc1ccccc1Cl ZINC000649485734 1129652443 /nfs/dbraw/zinc/65/24/43/1129652443.db2.gz VDLSKKRVEFGSJB-UHFFFAOYSA-N 0 1 289.810 3.503 20 0 CHADMN Cc1nc(C)c(CN[C@H](C)c2cc(C)cc(C)c2)o1 ZINC000389102151 1129655401 /nfs/dbraw/zinc/65/54/01/1129655401.db2.gz IYLABBSOVLVHFF-GFCCVEGCSA-N 0 1 258.365 3.759 20 0 CHADMN Cc1ccnc(CN[C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000392920248 1129660116 /nfs/dbraw/zinc/66/01/16/1129660116.db2.gz DJWIXTICBIPZGK-GFCCVEGCSA-N 0 1 292.329 3.842 20 0 CHADMN C[C@@H](C[C@@H](O)c1ccco1)NCc1c(F)cccc1Cl ZINC000305702607 1129660720 /nfs/dbraw/zinc/66/07/20/1129660720.db2.gz DHJXHORXYQTWMM-IINYFYTJSA-N 0 1 297.757 3.674 20 0 CHADMN C[C@@H](NCCCC(=O)OC(C)(C)C)c1cccnc1Cl ZINC000766380544 1129660972 /nfs/dbraw/zinc/66/09/72/1129660972.db2.gz GJIDJLQSKKDCEU-LLVKDONJSA-N 0 1 298.814 3.508 20 0 CHADMN c1c(CN2CCC[C@@H](c3ccccc3)C2)nn2c1CCCC2 ZINC000649617546 1129663348 /nfs/dbraw/zinc/66/33/48/1129663348.db2.gz NHWLKAZBRGECKE-QGZVFWFLSA-N 0 1 295.430 3.599 20 0 CHADMN Cc1cccc([C@H](C)NCc2cnc(C(F)(F)F)nc2)c1 ZINC000649624131 1129664336 /nfs/dbraw/zinc/66/43/36/1129664336.db2.gz RKKIBYFRIZCPNL-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN Cc1cnc(NCCSCc2ccco2)c(C)c1 ZINC001156191491 1129665084 /nfs/dbraw/zinc/66/50/84/1129665084.db2.gz NSVDYBCRRGQSNO-UHFFFAOYSA-N 0 1 262.378 3.637 20 0 CHADMN C[C@@H](c1nc2ccccc2s1)[C@H](C)NCc1ccon1 ZINC000766419548 1129665125 /nfs/dbraw/zinc/66/51/25/1129665125.db2.gz MBQDTWRHASEZLO-MNOVXSKESA-N 0 1 287.388 3.566 20 0 CHADMN c1oc(-c2ccccc2)nc1CN1CCC12CCCC2 ZINC000649656451 1129666305 /nfs/dbraw/zinc/66/63/05/1129666305.db2.gz NSOQWSSBWVTFFV-UHFFFAOYSA-N 0 1 268.360 3.860 20 0 CHADMN Cc1ccc(-c2noc(CN3CCC34CCCC4)n2)cc1 ZINC000649655465 1129666478 /nfs/dbraw/zinc/66/64/78/1129666478.db2.gz CCDSSVYAHJEOKN-UHFFFAOYSA-N 0 1 283.375 3.564 20 0 CHADMN c1ccc(Oc2ccc(CN3CCC34CCCC4)nn2)cc1 ZINC000649657920 1129668050 /nfs/dbraw/zinc/66/80/50/1129668050.db2.gz RGYMMPLHUURBPL-UHFFFAOYSA-N 0 1 295.386 3.787 20 0 CHADMN C[C@@]1(Cc2cccc(Cl)c2)CCCN1Cc1c[nH]cn1 ZINC000649685009 1129670528 /nfs/dbraw/zinc/67/05/28/1129670528.db2.gz KTIKKXNXKGZPRR-INIZCTEOSA-N 0 1 289.810 3.660 20 0 CHADMN C[C@H](c1ccncc1)[N@@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000828524531 1131389624 /nfs/dbraw/zinc/38/96/24/1131389624.db2.gz MFNDPPJFXOEGIN-ZYHUDNBSSA-N 0 1 273.207 3.658 20 0 CHADMN C[C@H](c1ccncc1)N(C)C[C@@]1(C)CC1(Cl)Cl ZINC000828524531 1131389626 /nfs/dbraw/zinc/38/96/26/1131389626.db2.gz MFNDPPJFXOEGIN-ZYHUDNBSSA-N 0 1 273.207 3.658 20 0 CHADMN CC(C)O[C@H]1CCCN([C@@H](C)c2cc(F)ccc2F)C1 ZINC000649698961 1129672119 /nfs/dbraw/zinc/67/21/19/1129672119.db2.gz FPXSOIAVIALOSX-JSGCOSHPSA-N 0 1 283.362 3.915 20 0 CHADMN C[C@@H](c1ccccn1)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000649709562 1129672808 /nfs/dbraw/zinc/67/28/08/1129672808.db2.gz QXPYOTRBMIIBNQ-JTQLQIEISA-N 0 1 288.288 3.509 20 0 CHADMN Cc1nc2cc(NCc3cc(C(C)C)no3)ccc2[nH]1 ZINC001168827977 1129675359 /nfs/dbraw/zinc/67/53/59/1129675359.db2.gz UXNWYAFCVQGJPM-UHFFFAOYSA-N 0 1 270.336 3.595 20 0 CHADMN C[C@@H](NC1(C2CCC2)CC1)c1nnc(-c2ccccc2)o1 ZINC000649807140 1129678219 /nfs/dbraw/zinc/67/82/19/1129678219.db2.gz MCJBBIVHLIEPBA-GFCCVEGCSA-N 0 1 283.375 3.720 20 0 CHADMN CCCc1nc(CNC2(C3CCC3)CC2)cs1 ZINC000649806904 1129678421 /nfs/dbraw/zinc/67/84/21/1129678421.db2.gz FXSGKHVFEPTEJK-UHFFFAOYSA-N 0 1 250.411 3.518 20 0 CHADMN Cc1nc([C@@H](C)N(C)Cc2oc3c(cccc3C)c2C)n[nH]1 ZINC000649819830 1129679757 /nfs/dbraw/zinc/67/97/57/1129679757.db2.gz ICJMYJPUHXGYAX-GFCCVEGCSA-N 0 1 298.390 3.669 20 0 CHADMN CCCCc1noc(CN2CCc3ccccc3[C@@H](C)C2)n1 ZINC000649832959 1129680432 /nfs/dbraw/zinc/68/04/32/1129680432.db2.gz AKOVIAAMUZFTKN-AWEZNQCLSA-N 0 1 299.418 3.574 20 0 CHADMN CC(C)n1ccc(CN2CCc3ccccc3[C@@H](C)C2)n1 ZINC000649834134 1129681616 /nfs/dbraw/zinc/68/16/16/1129681616.db2.gz DDQIGDNYUFLYPJ-HNNXBMFYSA-N 0 1 283.419 3.626 20 0 CHADMN CC1(C)CCC(COC(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000766531993 1129682211 /nfs/dbraw/zinc/68/22/11/1129682211.db2.gz TXFGOKQZIYIJSG-CYBMUJFWSA-N 0 1 290.407 3.589 20 0 CHADMN CCCCC[C@H](C)NCc1csc([C@H](C)OC)n1 ZINC000766529435 1129684166 /nfs/dbraw/zinc/68/41/66/1129684166.db2.gz PRZCSTIDHATRNU-RYUDHWBXSA-N 0 1 270.442 3.909 20 0 CHADMN FC1(F)C[C@]12CCN(Cc1sccc1Cl)C2 ZINC000649908226 1129686093 /nfs/dbraw/zinc/68/60/93/1129686093.db2.gz JZLDZLQCVKPSND-JTQLQIEISA-N 0 1 263.740 3.633 20 0 CHADMN Cc1cnc(CN)n1-c1c(OC(C)C)ccc2ccccc21 ZINC001169030475 1129690597 /nfs/dbraw/zinc/69/05/97/1129690597.db2.gz CAEKOQKCNFSDHJ-UHFFFAOYSA-N 0 1 295.386 3.580 20 0 CHADMN C[C@H]1Cc2cc(CNCc3ccc(Cl)o3)ccc2O1 ZINC000720716139 1129690982 /nfs/dbraw/zinc/69/09/82/1129690982.db2.gz SCRABKJAGDLLAU-JTQLQIEISA-N 0 1 277.751 3.546 20 0 CHADMN CCc1coc(CN[C@@H](Cc2ccccc2)CC(C)C)n1 ZINC001169049472 1129692068 /nfs/dbraw/zinc/69/20/68/1129692068.db2.gz ICLPDHPGCCEEKF-QGZVFWFLSA-N 0 1 286.419 3.984 20 0 CHADMN CC(C)C[C@@H](Cc1ccccc1)NC1(c2ncccn2)CC1 ZINC001169066543 1129694765 /nfs/dbraw/zinc/69/47/65/1129694765.db2.gz ASPFWYHMXYVKNS-KRWDZBQOSA-N 0 1 295.430 3.713 20 0 CHADMN CC(C)=CCC/C(C)=C/CNc1ccc2[nH]c(=O)cc-2[nH]1 ZINC001169135344 1129702381 /nfs/dbraw/zinc/70/23/81/1129702381.db2.gz LJKOSEOXSGMTKE-UKTHLTGXSA-N 0 1 285.391 3.681 20 0 CHADMN Cn1ccc2c1nccc2N[C@H](C1CCC1)C(F)(F)F ZINC001169287289 1129715799 /nfs/dbraw/zinc/71/57/99/1129715799.db2.gz IPFJTUGZDIIKNX-GFCCVEGCSA-N 0 1 283.297 3.716 20 0 CHADMN COc1ccc(CNC(C)(C)c2ccc(F)cc2)cc1O ZINC000103173298 1129718949 /nfs/dbraw/zinc/71/89/49/1129718949.db2.gz MRMLNQYYHSYXOH-UHFFFAOYSA-N 0 1 289.350 3.565 20 0 CHADMN CCOc1cccc(Cl)c1C[N@H+]1CC[C@H](C)[C@H](OC)C1 ZINC001169340864 1129719325 /nfs/dbraw/zinc/71/93/25/1129719325.db2.gz BNDYOXHRZVCKOV-BLLLJJGKSA-N 0 1 297.826 3.596 20 0 CHADMN CCOc1cccc(Cl)c1CN1CC[C@H](C)[C@H](OC)C1 ZINC001169340864 1129719327 /nfs/dbraw/zinc/71/93/27/1129719327.db2.gz BNDYOXHRZVCKOV-BLLLJJGKSA-N 0 1 297.826 3.596 20 0 CHADMN C[C@@H]1C[C@H](Nc2ccc3nc[nH]c3n2)c2ccccc21 ZINC001169367001 1129720813 /nfs/dbraw/zinc/72/08/13/1129720813.db2.gz ZGMMSSSGRVOPCS-YGRLFVJLSA-N 0 1 264.332 3.618 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000766694503 1129725618 /nfs/dbraw/zinc/72/56/18/1129725618.db2.gz YCHOOMJJHGSPJA-ZFWWWQNUSA-N 0 1 291.439 3.900 20 0 CHADMN CC(C)C(N)=NOCc1nc(C2CCCCC2)cs1 ZINC000766708461 1129726312 /nfs/dbraw/zinc/72/63/12/1129726312.db2.gz CAXHMSSLRSGOOB-UHFFFAOYSA-N 0 1 281.425 3.845 20 0 CHADMN Cc1ccc2nc(SCc3cc4n(n3)CCCC4)[nH]c2c1 ZINC000651178152 1129731022 /nfs/dbraw/zinc/73/10/22/1129731022.db2.gz ZIOXZUWUBAKLEV-UHFFFAOYSA-N 0 1 298.415 3.696 20 0 CHADMN CCCC(C)(C)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000651194926 1129731983 /nfs/dbraw/zinc/73/19/83/1129731983.db2.gz VPCIJJALGLZEQJ-AWEZNQCLSA-N 0 1 294.439 3.605 20 0 CHADMN Cc1cc(N2CC[C@]3(CC3(F)F)C2)c2cc(F)ccc2n1 ZINC000651487801 1129740891 /nfs/dbraw/zinc/74/08/91/1129740891.db2.gz HRUQTCKDWOSORK-HNNXBMFYSA-N 0 1 292.304 3.918 20 0 CHADMN CCC1CN(Cc2c(Cl)ccc3cccnc32)C1 ZINC000651609459 1129742612 /nfs/dbraw/zinc/74/26/12/1129742612.db2.gz XBUKZBNHIUOURA-UHFFFAOYSA-N 0 1 260.768 3.730 20 0 CHADMN COC[C@@H](CC(C)(C)C)NCc1nc(C(C)C)cs1 ZINC000651737536 1129746001 /nfs/dbraw/zinc/74/60/01/1129746001.db2.gz IDZYGWCZYATCBC-GFCCVEGCSA-N 0 1 284.469 3.807 20 0 CHADMN Fc1cc(Cl)ccc1CN1CC[C@@H](COCC2CC2)C1 ZINC001137660958 1131394921 /nfs/dbraw/zinc/39/49/21/1131394921.db2.gz BKXSKORLUGAQPH-CYBMUJFWSA-N 0 1 297.801 3.728 20 0 CHADMN CC(C)c1ccc(Cc2noc(-c3coc(CN)c3)n2)cc1 ZINC000822706112 1131394917 /nfs/dbraw/zinc/39/49/17/1131394917.db2.gz LCPCSWMNGYGCRU-UHFFFAOYSA-N 0 1 297.358 3.503 20 0 CHADMN CCN(Cc1c(F)ccc(C)c1F)CC1CCC1 ZINC001169698936 1129748927 /nfs/dbraw/zinc/74/89/27/1129748927.db2.gz USQVSOGOVYOFBB-UHFFFAOYSA-N 0 1 253.336 3.895 20 0 CHADMN CC[C@@H](OCCNCc1ncc(C)s1)c1ccccc1 ZINC000651908464 1129751144 /nfs/dbraw/zinc/75/11/44/1129751144.db2.gz FJZTYHMZMZMVPB-OAHLLOKOSA-N 0 1 290.432 3.709 20 0 CHADMN CCc1ncc(CNCc2cccc(CC)c2)s1 ZINC000652032985 1129755721 /nfs/dbraw/zinc/75/57/21/1129755721.db2.gz RYDZXOSLDXOGIM-UHFFFAOYSA-N 0 1 260.406 3.558 20 0 CHADMN Cc1ncc(CN[C@H](c2cccnc2)C2CCCCC2)o1 ZINC000652208546 1129760128 /nfs/dbraw/zinc/76/01/28/1129760128.db2.gz HUVXXCVTRXICIV-KRWDZBQOSA-N 0 1 285.391 3.789 20 0 CHADMN Cc1cccc2c1CC[C@@H]2N[C@H](c1ccccc1F)[C@H](C)O ZINC000652230504 1129760826 /nfs/dbraw/zinc/76/08/26/1129760826.db2.gz NEXMHYQVFHDCRF-AGRHKRQWSA-N 0 1 299.389 3.833 20 0 CHADMN CCCC(C)(C)C(=O)Nc1cc(C(=O)CC)ccc1O ZINC000652266651 1129761985 /nfs/dbraw/zinc/76/19/85/1129761985.db2.gz IHSHHUBHNGYCFZ-UHFFFAOYSA-N 0 1 277.364 3.750 20 0 CHADMN C[C@@H]1CN(CCCc2ccccc2Cl)C[C@@H](C2CC2)O1 ZINC001169891150 1129764609 /nfs/dbraw/zinc/76/46/09/1129764609.db2.gz VZSSYPUOHSMNPS-DYVFJYSZSA-N 0 1 293.838 3.772 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)CCCCc1ccccc1 ZINC000652396696 1129764756 /nfs/dbraw/zinc/76/47/56/1129764756.db2.gz PHZPTPFEKDOMBR-MRXNPFEDSA-N 0 1 277.408 3.585 20 0 CHADMN CCC[N@@H+](Cc1nc2ccccc2c(C)c1C(=O)[O-])C1CC1 ZINC000652439560 1129764837 /nfs/dbraw/zinc/76/48/37/1129764837.db2.gz PZGZSGGKNNGJBH-UHFFFAOYSA-N 0 1 298.386 3.616 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCCCCC(=O)[O-])C1 ZINC000652421003 1129764852 /nfs/dbraw/zinc/76/48/52/1129764852.db2.gz VBDSKTXRGMJIBX-BBRMVZONSA-N 0 1 293.382 3.854 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@@H+](CC)C[C@@H](CC)c1ccccc1 ZINC000652437355 1129765029 /nfs/dbraw/zinc/76/50/29/1129765029.db2.gz KVQCYYJAJNJKHK-GDBMZVCRSA-N 0 1 277.408 3.755 20 0 CHADMN COc1ccc2c(ccnc2NCCCc2ccncc2)c1 ZINC001156407149 1129765935 /nfs/dbraw/zinc/76/59/35/1129765935.db2.gz LYOQUONETUMXRF-UHFFFAOYSA-N 0 1 293.370 3.683 20 0 CHADMN FC(F)[C@H]1CCCN(Cc2ccc(C(F)(F)F)cn2)C1 ZINC001139014891 1129772299 /nfs/dbraw/zinc/77/22/99/1129772299.db2.gz KLENIYJHNQJOCC-VIFPVBQESA-N 0 1 294.267 3.578 20 0 CHADMN COc1ccc(CN(C)Cc2cccc(C)c2F)cc1 ZINC001137673941 1131396985 /nfs/dbraw/zinc/39/69/85/1131396985.db2.gz YIVBACQSFVOODG-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN CCOc1cccc(Cl)c1CN1CCC[C@H](OC)CC1 ZINC000653612812 1129788403 /nfs/dbraw/zinc/78/84/03/1129788403.db2.gz HOOOHAVCWLELLR-ZDUSSCGKSA-N 0 1 297.826 3.740 20 0 CHADMN CCc1ccc(-c2ccc3cc(C(=O)OC)nc-3[nH]2)cc1 ZINC001239587273 1131401389 /nfs/dbraw/zinc/40/13/89/1131401389.db2.gz AHFOQOWTJXHGAB-UHFFFAOYSA-N 0 1 280.327 3.579 20 0 CHADMN CC[C@@H](NCc1csc(C(C)C)n1)[C@@H]1CCCCO1 ZINC000653879923 1129799929 /nfs/dbraw/zinc/79/99/29/1129799929.db2.gz ZYCXXJHZBASVHH-KGLIPLIRSA-N 0 1 282.453 3.704 20 0 CHADMN CN(C)Cc1ccc(-c2cccnc2C(F)(F)F)cc1F ZINC001242376468 1129800626 /nfs/dbraw/zinc/80/06/26/1129800626.db2.gz GVPANKXABMQJMT-UHFFFAOYSA-N 0 1 298.283 3.968 20 0 CHADMN Cc1ccc(Cl)cc1-c1noc([C@@H]2CCCCN2)n1 ZINC000822807835 1131400048 /nfs/dbraw/zinc/40/00/48/1131400048.db2.gz IFYMOTAKWRUCGX-LBPRGKRZSA-N 0 1 277.755 3.513 20 0 CHADMN c1cc2c(s1)CCN(Cc1cncc3ccccc31)C2 ZINC000768234999 1129845842 /nfs/dbraw/zinc/84/58/42/1129845842.db2.gz UYEPEMTWCHNYDH-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN CCc1ccc(-c2nc(C(C)(C)C)nc3nc[nH]c32)cc1 ZINC001239587557 1131401882 /nfs/dbraw/zinc/40/18/82/1131401882.db2.gz JESPWLDHXQXXAV-UHFFFAOYSA-N 0 1 280.375 3.880 20 0 CHADMN CCOC(=O)c1nc2ccc(-c3ccc(CC)cc3)cc2[nH]1 ZINC001239587372 1131401896 /nfs/dbraw/zinc/40/18/96/1131401896.db2.gz GZPZXCFJMFKBGJ-UHFFFAOYSA-N 0 1 294.354 3.969 20 0 CHADMN CC(C)(C)c1coc(CNC(C)(C)C2CCC2)n1 ZINC000724403702 1129852351 /nfs/dbraw/zinc/85/23/51/1129852351.db2.gz JVFBGWNJOLJSIR-UHFFFAOYSA-N 0 1 250.386 3.640 20 0 CHADMN CCC[C@@H](C)N(C)Cc1c(Cl)nc2ccccn21 ZINC000768337250 1129852930 /nfs/dbraw/zinc/85/29/30/1129852930.db2.gz CMAJAPIRBASGCC-LLVKDONJSA-N 0 1 265.788 3.608 20 0 CHADMN Clc1ccccc1OC1CCN(Cc2ccoc2)CC1 ZINC000768362805 1129853296 /nfs/dbraw/zinc/85/32/96/1129853296.db2.gz RVCRGFUAWBDHNH-UHFFFAOYSA-N 0 1 291.778 3.976 20 0 CHADMN CC(C)(C)c1coc(CN2CC[C@@H](C3CCCC3)C2)n1 ZINC001460265146 1129855604 /nfs/dbraw/zinc/85/56/04/1129855604.db2.gz LSOMZFSRBQFNSG-CQSZACIVSA-N 0 1 276.424 3.984 20 0 CHADMN Clc1ccc(-c2nc([C@@H]3CCCN3)no2)c2ccoc21 ZINC000900010593 1129856916 /nfs/dbraw/zinc/85/69/16/1129856916.db2.gz UJYGHYJRFKRASZ-NSHDSACASA-N 0 1 289.722 3.561 20 0 CHADMN CCCOc1ccc(NCc2[nH]nc3ccccc32)cc1 ZINC000768677267 1129865440 /nfs/dbraw/zinc/86/54/40/1129865440.db2.gz JSMZQQQHFHECCM-UHFFFAOYSA-N 0 1 281.359 3.964 20 0 CHADMN CC(C)COCCN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000800345376 1129867413 /nfs/dbraw/zinc/86/74/13/1129867413.db2.gz RGGINZLOGWZXTM-MRXNPFEDSA-N 0 1 283.362 3.774 20 0 CHADMN Cc1cc([C@@H](C)NC[C@@H](O)c2c(F)cccc2F)oc1C ZINC000800482131 1129877608 /nfs/dbraw/zinc/87/76/08/1129877608.db2.gz OSNIYNVJDOEJFY-QMTHXVAHSA-N 0 1 295.329 3.559 20 0 CHADMN COCC[C@H]1CCC[C@@H]1Nc1ccc(CN(C)C)c(F)c1 ZINC000800488769 1129879705 /nfs/dbraw/zinc/87/97/05/1129879705.db2.gz OOQJTJGDQUZSPW-DYVFJYSZSA-N 0 1 294.414 3.504 20 0 CHADMN Cc1cc([C@@H](C)NCCSCc2ccccc2)no1 ZINC000800495856 1129880123 /nfs/dbraw/zinc/88/01/23/1129880123.db2.gz QIAPRYNIPLPANH-CYBMUJFWSA-N 0 1 276.405 3.567 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCCN(C)Cc1cc(F)cc(F)c1 ZINC001169997700 1129880728 /nfs/dbraw/zinc/88/07/28/1129880728.db2.gz AWGSRDSIHLDNKN-DYVFJYSZSA-N 0 1 297.389 3.992 20 0 CHADMN CCCCc1nc2ccc(NC(=O)C(C)(C)F)cc2[nH]1 ZINC000768949420 1129881335 /nfs/dbraw/zinc/88/13/35/1129881335.db2.gz TXWMZTQUSJVEIT-UHFFFAOYSA-N 0 1 277.343 3.592 20 0 CHADMN C[C@H]1CCCN(Cc2c(Cl)nc3ccccn32)CC1 ZINC000769147331 1129892925 /nfs/dbraw/zinc/89/29/25/1129892925.db2.gz FMGAIWCIUZFHLN-LBPRGKRZSA-N 0 1 277.799 3.610 20 0 CHADMN CCc1nn(C)c(Cl)c1CN1CCC(C)(CC)CC1 ZINC000769232185 1129897826 /nfs/dbraw/zinc/89/78/26/1129897826.db2.gz ICGJCCAXBCFLFI-UHFFFAOYSA-N 0 1 283.847 3.648 20 0 CHADMN CC(C)O[C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001137714630 1131406225 /nfs/dbraw/zinc/40/62/25/1131406225.db2.gz RWDJBKLENRQZGY-CQSZACIVSA-N 0 1 292.810 3.821 20 0 CHADMN Cc1occc1CNCc1ccc2c(c1)COC(C)(C)O2 ZINC000769490132 1129909374 /nfs/dbraw/zinc/90/93/74/1129909374.db2.gz GGCKZXNTDWQETK-UHFFFAOYSA-N 0 1 287.359 3.523 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1Cc1occc1Br ZINC000769447765 1129910383 /nfs/dbraw/zinc/91/03/83/1129910383.db2.gz LAXYEHHMHROYPJ-NXEZZACHSA-N 0 1 272.186 3.663 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1coc(C2CC2)n1 ZINC000769446677 1129910645 /nfs/dbraw/zinc/91/06/45/1129910645.db2.gz QOTPWBZEWXVXIG-CJNGLKHVSA-N 0 1 282.387 3.930 20 0 CHADMN Cc1cc(CN2CC[C@H](C)[C@@H](C)C2)cnc1Cl ZINC000769451349 1129911255 /nfs/dbraw/zinc/91/12/55/1129911255.db2.gz LPAVINYIXCJXLF-JQWIXIFHSA-N 0 1 252.789 3.521 20 0 CHADMN C[C@@H]1SCCN(Cc2ccoc2)[C@H]1c1ccccc1 ZINC000769464503 1129911815 /nfs/dbraw/zinc/91/18/15/1129911815.db2.gz ZUUFJKKODGSQNJ-XJKSGUPXSA-N 0 1 273.401 3.958 20 0 CHADMN COc1ccccc1[C@@H]1CCN(Cc2coc(C3CC3)n2)C1 ZINC000769472701 1129912421 /nfs/dbraw/zinc/91/24/21/1129912421.db2.gz ILLRLBMBSAXZTI-CQSZACIVSA-N 0 1 298.386 3.550 20 0 CHADMN CC(C)C[C@H]1CCCN(Cc2coc(C3CC3)n2)C1 ZINC000769505866 1129915057 /nfs/dbraw/zinc/91/50/57/1129915057.db2.gz OWCJVIATCZKFGI-CYBMUJFWSA-N 0 1 262.397 3.810 20 0 CHADMN Cc1cc(CN(C)Cc2cccc(N(C)C)c2)c(C)o1 ZINC000769537016 1129916495 /nfs/dbraw/zinc/91/64/95/1129916495.db2.gz GOAFYIRDNYCXRW-UHFFFAOYSA-N 0 1 272.392 3.594 20 0 CHADMN O=C(Nc1cccc2ncccc21)c1c(O)cccc1Cl ZINC000769618488 1129919556 /nfs/dbraw/zinc/91/95/56/1129919556.db2.gz YOHGOYJJNUVLFZ-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN Fc1cccc([C@H](NCCOC(F)F)c2ccccc2)c1 ZINC000901391908 1129920046 /nfs/dbraw/zinc/92/00/46/1129920046.db2.gz HWUNDNPDEYYWJY-OAHLLOKOSA-N 0 1 295.304 3.744 20 0 CHADMN Fc1ccc(Cl)cc1CN1CC2CCC1CC2 ZINC001206028660 1129920302 /nfs/dbraw/zinc/92/03/02/1129920302.db2.gz XSQUJXFLMTYPFI-UHFFFAOYSA-N 0 1 253.748 3.854 20 0 CHADMN CCOc1ccccc1NC(=O)c1c(O)cccc1Cl ZINC000769647485 1129920381 /nfs/dbraw/zinc/92/03/81/1129920381.db2.gz PETMYLPVWAHMLB-UHFFFAOYSA-N 0 1 291.734 3.697 20 0 CHADMN c1c(CN[C@H]2CCCc3ccccc32)onc1[C@H]1CCCO1 ZINC000901396875 1129920645 /nfs/dbraw/zinc/92/06/45/1129920645.db2.gz RAMIXDREENJADJ-FUHWJXTLSA-N 0 1 298.386 3.693 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000901416595 1129922735 /nfs/dbraw/zinc/92/27/35/1129922735.db2.gz VNSXMEQXZQTANL-LSDHHAIUSA-N 0 1 267.413 3.556 20 0 CHADMN CC(C)SCCN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000801517262 1129923513 /nfs/dbraw/zinc/92/35/13/1129923513.db2.gz KWKUTICZZJFAOR-INMHGKMJSA-N 0 1 293.476 3.979 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccc(/C=C/C(=O)[O-])o1)c1ccccc1 ZINC000901429898 1129924105 /nfs/dbraw/zinc/92/41/05/1129924105.db2.gz FIRWJBVAUIQIJX-VNDWYCCKSA-N 0 1 299.370 3.613 20 0 CHADMN CC(C)(C)c1n[nH]c(SC[C@]2(C)CC2(Cl)Cl)n1 ZINC000828970521 1131408355 /nfs/dbraw/zinc/40/83/55/1131408355.db2.gz ZOQSAVZSJJPWAS-JTQLQIEISA-N 0 1 294.251 3.778 20 0 CHADMN CC(C)(C)c1nc(SC[C@]2(C)CC2(Cl)Cl)n[nH]1 ZINC000828970521 1131408358 /nfs/dbraw/zinc/40/83/58/1131408358.db2.gz ZOQSAVZSJJPWAS-JTQLQIEISA-N 0 1 294.251 3.778 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1ccc(COC)cc1 ZINC000769865131 1129926980 /nfs/dbraw/zinc/92/69/80/1129926980.db2.gz ACUZKLVNWBPNDR-LBPRGKRZSA-N 0 1 288.391 3.543 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000901469398 1129927611 /nfs/dbraw/zinc/92/76/11/1129927611.db2.gz VIUGXVPCVAVJBD-RHSMWYFYSA-N 0 1 281.440 3.636 20 0 CHADMN COC(=O)/C(C)=C/CN(C)[C@H](C)c1cc2ccccc2o1 ZINC000746498899 1129933531 /nfs/dbraw/zinc/93/35/31/1129933531.db2.gz CRFXHQHKFURWDC-CNELAYHGSA-N 0 1 287.359 3.545 20 0 CHADMN CC1=CCC[C@@H](C)[C@H]1C[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000901569198 1129937004 /nfs/dbraw/zinc/93/70/04/1129937004.db2.gz JSUROWDCBDNAEX-WBVHZDCISA-N 0 1 287.403 3.566 20 0 CHADMN CCC[C@@H](C[N@H+](CC(=O)[O-])CC(C)C)c1ccccc1 ZINC000901589728 1129937845 /nfs/dbraw/zinc/93/78/45/1129937845.db2.gz WFBPENKRFBKFRP-INIZCTEOSA-N 0 1 277.408 3.613 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@@H](C)CCc1ccccc1 ZINC000901591766 1129937942 /nfs/dbraw/zinc/93/79/42/1129937942.db2.gz INZOJRGORRXZBQ-INIZCTEOSA-N 0 1 291.435 3.688 20 0 CHADMN CC1=C[C@H](C)C[C@H](C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000901592490 1129938059 /nfs/dbraw/zinc/93/80/59/1129938059.db2.gz PNFFKASYGWMDQO-BBRMVZONSA-N 0 1 287.403 3.809 20 0 CHADMN CC[C@@H]1CCC[C@@H](C[N@@H+](CCC(=O)[O-])CC(C)C)C1 ZINC000901596767 1129938848 /nfs/dbraw/zinc/93/88/48/1129938848.db2.gz YRCLZVIPRDASNX-HUUCEWRRSA-N 0 1 269.429 3.636 20 0 CHADMN CC(=CC(=O)Nc1ccc2c(C)[nH]nc2c1)c1ccccc1 ZINC000770257739 1129942950 /nfs/dbraw/zinc/94/29/50/1129942950.db2.gz KGDSZRWCAZAPSW-ZRDIBKRKSA-N 0 1 291.354 3.913 20 0 CHADMN CC(C)[C@H](C[N@H+]1CCC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000901700446 1129945769 /nfs/dbraw/zinc/94/57/69/1129945769.db2.gz JDHVCUGJATZXDO-WMZOPIPTSA-N 0 1 289.419 3.613 20 0 CHADMN c1cc(-c2ccc3c(c2)OCCO3)ccc1C1=NCCC1 ZINC001239602131 1131409730 /nfs/dbraw/zinc/40/97/30/1131409730.db2.gz CNZXOQJMKIEKDH-UHFFFAOYSA-N 0 1 279.339 3.708 20 0 CHADMN CN(C)Cc1ccc(NCc2cccc3cc[nH]c32)cc1F ZINC000770599892 1129953137 /nfs/dbraw/zinc/95/31/37/1129953137.db2.gz BXAXFBFGCSIXKL-UHFFFAOYSA-N 0 1 297.377 3.981 20 0 CHADMN Cc1cnc(NCc2nccc3ccccc32)c(C)c1 ZINC001156862267 1129956387 /nfs/dbraw/zinc/95/63/87/1129956387.db2.gz BLCMMWDGXOSLKU-UHFFFAOYSA-N 0 1 263.344 3.859 20 0 CHADMN C[C@H]1CO[C@H](c2ccccc2)CN1CCSC(C)(C)C ZINC000801917496 1129958005 /nfs/dbraw/zinc/95/80/05/1129958005.db2.gz FIGKKFQYGHTDKI-HOCLYGCPSA-N 0 1 293.476 3.980 20 0 CHADMN CC(C)[C@H](C)OC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000770891576 1129960924 /nfs/dbraw/zinc/96/09/24/1129960924.db2.gz GMWHXAVLTCGAAU-NSHDSACASA-N 0 1 299.374 3.550 20 0 CHADMN CC(C)(c1noc(-c2coc(CN)c2)n1)C1CCCCC1 ZINC000823105377 1131413266 /nfs/dbraw/zinc/41/32/66/1131413266.db2.gz BQERPVBATJELBZ-UHFFFAOYSA-N 0 1 289.379 3.646 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@@H+](CCC(=O)[O-])C1CC1 ZINC000901971581 1129969193 /nfs/dbraw/zinc/96/91/93/1129969193.db2.gz XOCQRDZULLZSNL-CQSZACIVSA-N 0 1 267.413 3.698 20 0 CHADMN CC1=C[C@H](C)C[C@H](C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])C1 ZINC000901990786 1129969616 /nfs/dbraw/zinc/96/96/16/1129969616.db2.gz SEMLUKXITDIRBN-DHSIGJKJSA-N 0 1 299.414 3.663 20 0 CHADMN Cc1cc(C)c(/C=C\C[N@H+]2CCC[C@H]2CC(=O)[O-])cc1C ZINC000902005712 1129970355 /nfs/dbraw/zinc/97/03/55/1129970355.db2.gz ACRFVZWHUZSQQV-AATOQMJSSA-N 0 1 287.403 3.564 20 0 CHADMN CC[C@H](C[N@H+]1CCCC[C@H]1CCC(=O)[O-])c1ccccc1 ZINC000901997039 1129970428 /nfs/dbraw/zinc/97/04/28/1129970428.db2.gz KXXHTJAMPAIMNN-WBVHZDCISA-N 0 1 289.419 3.900 20 0 CHADMN C[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000901997026 1129970790 /nfs/dbraw/zinc/97/07/90/1129970790.db2.gz KWRKZYZMXIKLBE-WBVHZDCISA-N 0 1 289.419 3.585 20 0 CHADMN CCCC1CCC(C[N@H+]2CCC[C@@H]2CC(=O)[O-])CC1 ZINC000902007209 1129971204 /nfs/dbraw/zinc/97/12/04/1129971204.db2.gz KGGMQWQEGZBCHI-YMAMQOFZSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000902011087 1129971467 /nfs/dbraw/zinc/97/14/67/1129971467.db2.gz KIKKYFPCBTURQF-BSWAZPDLSA-N 0 1 293.451 3.778 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)s2)[C@H](C(=O)[O-])C1 ZINC000902010871 1129971471 /nfs/dbraw/zinc/97/14/71/1129971471.db2.gz DPWUGEJZTFSGRC-AAEUAGOBSA-N 0 1 295.448 3.731 20 0 CHADMN C[C@@H](CCc1ccccc1)C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000902034749 1129973528 /nfs/dbraw/zinc/97/35/28/1129973528.db2.gz LAWWOQIIBLAFHT-RDJZCZTQSA-N 0 1 289.419 3.585 20 0 CHADMN CNc1ccccc1CN[C@@H](C)c1cc(C)ccc1OC ZINC000902042154 1129973988 /nfs/dbraw/zinc/97/39/88/1129973988.db2.gz KYVQFXDUIXJBCK-AWEZNQCLSA-N 0 1 284.403 3.896 20 0 CHADMN O=C([O-])[C@H]1CC[C@@H](c2ccccc2)[N@H+]1C[C@H]1CC=CCC1 ZINC000902049054 1129974734 /nfs/dbraw/zinc/97/47/34/1129974734.db2.gz WROSQUWJFWHXCR-BHYGNILZSA-N 0 1 285.387 3.633 20 0 CHADMN CCCC[N@@H+](C)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902051182 1129974801 /nfs/dbraw/zinc/97/48/01/1129974801.db2.gz TWSDDYCSDJPAAI-UHFFFAOYSA-N 0 1 287.359 3.877 20 0 CHADMN CNc1ccccc1CN[C@@H](C)c1cc(F)ccc1OC ZINC000902076894 1129977758 /nfs/dbraw/zinc/97/77/58/1129977758.db2.gz BRSXSVFIJKHOTD-LBPRGKRZSA-N 0 1 288.366 3.727 20 0 CHADMN CNc1ccccc1CNCc1ccccc1OC(C)C ZINC000902086684 1129978861 /nfs/dbraw/zinc/97/88/61/1129978861.db2.gz RJDPXNYRBIEFGB-UHFFFAOYSA-N 0 1 284.403 3.805 20 0 CHADMN Fc1cc(CNc2nccn2C2CC2)ccc1C(F)F ZINC000902114652 1129981117 /nfs/dbraw/zinc/98/11/17/1129981117.db2.gz RFHJFWDGVLKATI-UHFFFAOYSA-N 0 1 281.281 3.907 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)C(F)=C1CCCC1 ZINC000771504013 1129981826 /nfs/dbraw/zinc/98/18/26/1129981826.db2.gz IVBHLQDHZHBPDU-UHFFFAOYSA-N 0 1 287.693 3.921 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)C1 ZINC000902136953 1129983106 /nfs/dbraw/zinc/98/31/06/1129983106.db2.gz XIAPYYXQTNRJRH-CYBMUJFWSA-N 0 1 298.386 3.555 20 0 CHADMN CC(=CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C)C1CC1 ZINC000771669018 1129987041 /nfs/dbraw/zinc/98/70/41/1129987041.db2.gz RMKNLWGWYCTUMN-HJWRWDBZSA-N 0 1 285.347 3.581 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H](c3ccccc3)C2)oc1C(=O)[O-] ZINC000902238786 1129992795 /nfs/dbraw/zinc/99/27/95/1129992795.db2.gz PDCRFZQKSWLTRV-HNNXBMFYSA-N 0 1 299.370 3.666 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@@](C)(c2ccccc2)C1)C(=O)[O-] ZINC000902258808 1129994124 /nfs/dbraw/zinc/99/41/24/1129994124.db2.gz XWYHPQOOPNBWRA-GOSISDBHSA-N 0 1 289.419 3.541 20 0 CHADMN Cc1cn[nH]c1CSC[C@H]1CCCCC1(F)F ZINC000902423215 1130009408 /nfs/dbraw/zinc/00/94/08/1130009408.db2.gz QEVVYVSQZFTLRA-SNVBAGLBSA-N 0 1 260.353 3.777 20 0 CHADMN COc1ccc(-c2cc3nc[nH]c3c(C)c2)c(OC)c1 ZINC001239619588 1130014913 /nfs/dbraw/zinc/01/49/13/1130014913.db2.gz GJBIYVIHUVWLCL-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN CCCCC[N@@H+](Cc1cc(C(=O)[O-])c(CC)o1)C(C)C ZINC000902511238 1130018049 /nfs/dbraw/zinc/01/80/49/1130018049.db2.gz HMFKWYFLOCBUQS-UHFFFAOYSA-N 0 1 281.396 3.941 20 0 CHADMN CCc1oc(C[N@H+]2CCC[C@H]2C2CCCC2)cc1C(=O)[O-] ZINC000902512017 1130018470 /nfs/dbraw/zinc/01/84/70/1130018470.db2.gz DEUJTIQMNMNZKX-HNNXBMFYSA-N 0 1 291.391 3.695 20 0 CHADMN CCCc1ccc(NC(=O)c2ccc3cncn3c2)cc1 ZINC000785711156 1130052754 /nfs/dbraw/zinc/05/27/54/1130052754.db2.gz FMSMVHAXWRXZBZ-UHFFFAOYSA-N 0 1 279.343 3.539 20 0 CHADMN Cc1ccc(C[N@@H+](CCC(C)(C)C(=O)[O-])C2CC2)cc1C ZINC000902520951 1130020280 /nfs/dbraw/zinc/02/02/80/1130020280.db2.gz MUJNYNHZNQEXFO-UHFFFAOYSA-N 0 1 289.419 3.769 20 0 CHADMN CCc1oc(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC000902517700 1130020408 /nfs/dbraw/zinc/02/04/08/1130020408.db2.gz HBSDFPKFGQQTAX-XUJVJEKNSA-N 0 1 291.391 3.693 20 0 CHADMN CC(C)C[C@@H]1CCCCC[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000902524772 1130020420 /nfs/dbraw/zinc/02/04/20/1130020420.db2.gz RWIANFWORSGXQU-HNNXBMFYSA-N 0 1 290.407 3.571 20 0 CHADMN CC(=O)c1cccc(-c2cc(CN3CCCCC3)ccn2)c1 ZINC001239633007 1130024495 /nfs/dbraw/zinc/02/44/95/1130024495.db2.gz PTCVAWZFHCECMZ-UHFFFAOYSA-N 0 1 294.398 3.937 20 0 CHADMN CCC[C@H](C[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000902560392 1130025272 /nfs/dbraw/zinc/02/52/72/1130025272.db2.gz SMNMYCUAJRUHMU-DJIMGWMZSA-N 0 1 289.419 3.613 20 0 CHADMN CNc1ccccc1CNC(C)(C)c1ccccc1F ZINC000902575241 1130028349 /nfs/dbraw/zinc/02/83/49/1130028349.db2.gz XFTMUMMDYCNEMG-UHFFFAOYSA-N 0 1 272.367 3.892 20 0 CHADMN CC(=O)c1cccc(-c2cc3nc[nH]c3cc2F)c1 ZINC001239637662 1130029155 /nfs/dbraw/zinc/02/91/55/1130029155.db2.gz UMQGGUBHQHPECG-UHFFFAOYSA-N 0 1 254.264 3.572 20 0 CHADMN COc1cc(OC)c(-c2cccc3nc(C)[nH]c32)c(OC)c1 ZINC001239651506 1130032968 /nfs/dbraw/zinc/03/29/68/1130032968.db2.gz XWLDEBVEAGCNRM-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN COc1ccc(C(C)C)cc1-c1nccc(N)c1C ZINC001239657695 1130036626 /nfs/dbraw/zinc/03/66/26/1130036626.db2.gz BKKBISWSZAWGOO-UHFFFAOYSA-N 0 1 256.349 3.771 20 0 CHADMN CCN(Cc1c[nH]c2ccccc12)Cc1ccc(OC)cn1 ZINC000785518126 1130038439 /nfs/dbraw/zinc/03/84/39/1130038439.db2.gz OQKYCHRWCCXQLY-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN CC1(C)CN(C[C@@H]2CC2(Cl)Cl)CC2(CCCC2)O1 ZINC000785538484 1130038824 /nfs/dbraw/zinc/03/88/24/1130038824.db2.gz JNHSCXDKPTVTEU-NSHDSACASA-N 0 1 292.250 3.604 20 0 CHADMN COc1ccc2c(c1)nccc2-c1cncc2cc[nH]c21 ZINC001239677445 1130048651 /nfs/dbraw/zinc/04/86/51/1130048651.db2.gz ROCSNVLTAFZZKM-UHFFFAOYSA-N 0 1 275.311 3.787 20 0 CHADMN CN(C)Cc1ccc(-c2cc(F)c(Cl)c(F)c2)nc1 ZINC001242798077 1130051642 /nfs/dbraw/zinc/05/16/42/1130051642.db2.gz NEUBJKXUEZVUAT-UHFFFAOYSA-N 0 1 282.721 3.742 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)C1CCCCC1)c1cn(C)nn1 ZINC000902770390 1130055062 /nfs/dbraw/zinc/05/50/62/1130055062.db2.gz KVVWYNUQMTUYPG-KBXCAEBGSA-N 0 1 298.434 3.787 20 0 CHADMN c1cc(-c2ccc3c(n2)CCN(Cc2ccccc2)C3)co1 ZINC001239686577 1130055663 /nfs/dbraw/zinc/05/56/63/1130055663.db2.gz BYRYXKFBCBTGJF-UHFFFAOYSA-N 0 1 290.366 3.900 20 0 CHADMN Cc1ccccc1[C@@H](CC(C)C)N[C@H](C)c1cn(C)nn1 ZINC000902803403 1130060357 /nfs/dbraw/zinc/06/03/57/1130060357.db2.gz VEJJYZZNAOJZGK-GDBMZVCRSA-N 0 1 286.423 3.562 20 0 CHADMN COc1cccc(-c2cc3nc[nH]c3cc2F)c1F ZINC001239751632 1130092193 /nfs/dbraw/zinc/09/21/93/1130092193.db2.gz LKDVHCDEAICZKK-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN CCc1nc(OC)ccc1-c1ccc2nc[nH]c2c1C ZINC001239772230 1130101919 /nfs/dbraw/zinc/10/19/19/1130101919.db2.gz HAJHEQWUCAONIW-UHFFFAOYSA-N 0 1 267.332 3.504 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@H]2N[C@H](c1nncn1C)C(C)C ZINC000903063890 1130107842 /nfs/dbraw/zinc/10/78/42/1130107842.db2.gz INFNTMZQQCWXQP-UNEWFSDZSA-N 0 1 298.434 3.659 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@H](c1nncn1C)C(C)C ZINC000903063888 1130108028 /nfs/dbraw/zinc/10/80/28/1130108028.db2.gz INFNTMZQQCWXQP-KMFMINBZSA-N 0 1 298.434 3.659 20 0 CHADMN Fc1ccccc1[C@@H](NCc1ccoc1)C1CCOCC1 ZINC000903075618 1130108894 /nfs/dbraw/zinc/10/88/94/1130108894.db2.gz AQVAFWXMDZBPJD-KRWDZBQOSA-N 0 1 289.350 3.676 20 0 CHADMN COC(=O)c1ccc([C@@H](C)NCc2ccc(C)o2)c(C)c1 ZINC000903078393 1130109809 /nfs/dbraw/zinc/10/98/09/1130109809.db2.gz WRKVEDVYUGEXCI-CYBMUJFWSA-N 0 1 287.359 3.534 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnn(CC2CCC2)c1)c1ccncc1 ZINC000903100447 1130112495 /nfs/dbraw/zinc/11/24/95/1130112495.db2.gz SMHBIESFNINRJB-KSSFIOAISA-N 0 1 298.434 3.880 20 0 CHADMN Cc1cc(CN[C@H](C)c2cnn(CC3CCC3)c2)cc(C)n1 ZINC000903190539 1130126701 /nfs/dbraw/zinc/12/67/01/1130126701.db2.gz XBADLAUBZAIOPC-OAHLLOKOSA-N 0 1 298.434 3.546 20 0 CHADMN COc1c(C)cccc1CN[C@H](c1ccccn1)C1CC1 ZINC000903196183 1130127616 /nfs/dbraw/zinc/12/76/16/1130127616.db2.gz JFMKPLGOVUEAJB-KRWDZBQOSA-N 0 1 282.387 3.640 20 0 CHADMN Cc1ccc([C@@H](NCc2cc(N(C)C)ccn2)C2CCC2)o1 ZINC000903199505 1130129258 /nfs/dbraw/zinc/12/92/58/1130129258.db2.gz ZSFDLOXYERGOQU-SFHVURJKSA-N 0 1 299.418 3.680 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cnn(CC3CCC3)c2)c(C)n1 ZINC000903239937 1130133662 /nfs/dbraw/zinc/13/36/62/1130133662.db2.gz NBGUBXYXTMOCEP-CQSZACIVSA-N 0 1 298.434 3.546 20 0 CHADMN CC[C@@H](NCc1cccc(Cl)c1OC)c1ccncc1 ZINC000903246048 1130135613 /nfs/dbraw/zinc/13/56/13/1130135613.db2.gz LFDNBZHPXFOIOJ-OAHLLOKOSA-N 0 1 290.794 3.985 20 0 CHADMN Cc1ccc(C2CCN(Cc3ccc(F)nc3C)CC2)cn1 ZINC000787272165 1130144774 /nfs/dbraw/zinc/14/47/74/1130144774.db2.gz RJOAOEZWRKDYMT-UHFFFAOYSA-N 0 1 299.393 3.612 20 0 CHADMN CN(C/C=C/Cl)CCOc1ccc(C(F)(F)F)cc1 ZINC000787342759 1130148060 /nfs/dbraw/zinc/14/80/60/1130148060.db2.gz OQJUPJAHCBCHDC-FARCUNLSSA-N 0 1 293.716 3.769 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)cc1N(C)C)c1cncs1 ZINC000903308683 1130149940 /nfs/dbraw/zinc/14/99/40/1130149940.db2.gz BEBPUIIVEQXRIU-WDEREUQCSA-N 0 1 293.411 3.760 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(C(F)F)nc1)c1cncs1 ZINC000903312539 1130151849 /nfs/dbraw/zinc/15/18/49/1130151849.db2.gz WOBHUPIVCVYWDY-IUCAKERBSA-N 0 1 283.347 3.888 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c(O)cccc21)c1cncs1 ZINC000903312118 1130151868 /nfs/dbraw/zinc/15/18/68/1130151868.db2.gz SKFXPDMJDVDCOV-ZWNOBZJWSA-N 0 1 274.389 3.577 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c(O)cccc21)c1cncs1 ZINC000903312117 1130152102 /nfs/dbraw/zinc/15/21/02/1130152102.db2.gz SKFXPDMJDVDCOV-MFKMUULPSA-N 0 1 274.389 3.577 20 0 CHADMN COc1ccc([C@H](C)N[C@H](c2ccccn2)C2CC2)cc1O ZINC000903334812 1130160377 /nfs/dbraw/zinc/16/03/77/1130160377.db2.gz GRUXZDZBYHIJFS-SGTLLEGYSA-N 0 1 298.386 3.598 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@H](c2ccccn2)C2CC2)s1 ZINC000903338217 1130161247 /nfs/dbraw/zinc/16/12/47/1130161247.db2.gz HAUHYGDRMZNDQA-NHYWBVRUSA-N 0 1 287.432 3.957 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@@H](c1ccccn1)C1CC1)CC2 ZINC000903338711 1130161861 /nfs/dbraw/zinc/16/18/61/1130161861.db2.gz IWGBTKHUXYIRJK-FUHWJXTLSA-N 0 1 282.362 3.949 20 0 CHADMN C[C@@H](NCCC1CCC(F)(F)CC1)c1ncco1 ZINC000903343690 1130163469 /nfs/dbraw/zinc/16/34/69/1130163469.db2.gz BCMKACWCVYISHS-SNVBAGLBSA-N 0 1 258.312 3.541 20 0 CHADMN Fc1cccc2c1CC[C@@H]2N[C@@H](c1ccccn1)C1CC1 ZINC000903341453 1130163525 /nfs/dbraw/zinc/16/35/25/1130163525.db2.gz YJXKJKCVMFIMQV-FUHWJXTLSA-N 0 1 282.362 3.949 20 0 CHADMN Cn1cnc(CN[C@H]2CCCCc3ccc(Cl)cc32)c1 ZINC000903352821 1130165783 /nfs/dbraw/zinc/16/57/83/1130165783.db2.gz XRVVYDDEQYICRP-INIZCTEOSA-N 0 1 289.810 3.631 20 0 CHADMN COC1(CN[C@@H](C)c2cscn2)CCCCCC1 ZINC000903417960 1130173347 /nfs/dbraw/zinc/17/33/47/1130173347.db2.gz HYLSEPJZPZWVAD-LBPRGKRZSA-N 0 1 268.426 3.533 20 0 CHADMN Cc1ccc(F)c(-c2ccc(N3CCN(C)CC3)cc2)c1 ZINC001239964043 1130173898 /nfs/dbraw/zinc/17/38/98/1130173898.db2.gz HITIMYSULHXQLV-UHFFFAOYSA-N 0 1 284.378 3.553 20 0 CHADMN C[C@H](N[C@@H](c1ccncc1)C1CC1)c1cccnc1Cl ZINC000903428359 1130175513 /nfs/dbraw/zinc/17/55/13/1130175513.db2.gz NTVOTHAUSWCZKW-XHDPSFHLSA-N 0 1 287.794 3.932 20 0 CHADMN C[C@@H](N[C@H](c1ccncc1)C1CC1)c1cccc2c1OCO2 ZINC000903428927 1130175534 /nfs/dbraw/zinc/17/55/34/1130175534.db2.gz MTJZMOOXHNENCO-PXAZEXFGSA-N 0 1 296.370 3.612 20 0 CHADMN CC[C@H](N[C@@H](c1ccncc1)C1CC1)c1cccc(OC)n1 ZINC000903428063 1130175627 /nfs/dbraw/zinc/17/56/27/1130175627.db2.gz CJIUBLCAPCKZKN-MAUKXSAKSA-N 0 1 297.402 3.677 20 0 CHADMN C[C@@H](N[C@H](c1ccncc1)C1CC1)c1cccnc1Cl ZINC000903428356 1130175969 /nfs/dbraw/zinc/17/59/69/1130175969.db2.gz NTVOTHAUSWCZKW-ABAIWWIYSA-N 0 1 287.794 3.932 20 0 CHADMN Cc1nc([C@H](C)NCCCOc2cccc(F)c2)cs1 ZINC000903445830 1130177912 /nfs/dbraw/zinc/17/79/12/1130177912.db2.gz KQNFGIICFBVZCN-NSHDSACASA-N 0 1 294.395 3.710 20 0 CHADMN CC(C)CCC[C@H](C)N1CCc2nc(Cl)ncc2C1 ZINC001170083345 1130178925 /nfs/dbraw/zinc/17/89/25/1130178925.db2.gz PEPZAFDFTDAFRW-LBPRGKRZSA-N 0 1 281.831 3.703 20 0 CHADMN CCCCNC(=O)c1ccc(-c2ccc3nc[nH]c3c2)cc1 ZINC001239985773 1130182453 /nfs/dbraw/zinc/18/24/53/1130182453.db2.gz MNNPCANGMHOLRB-UHFFFAOYSA-N 0 1 293.370 3.760 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000903598747 1130183241 /nfs/dbraw/zinc/18/32/41/1130183241.db2.gz XWYOPBHGYXQMKE-KKUMJFAQSA-N 0 1 281.440 3.778 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](CC)Cc1ccc(Cl)s1 ZINC000903595763 1130183629 /nfs/dbraw/zinc/18/36/29/1130183629.db2.gz NWZZKXHCSCKOTI-BXKDBHETSA-N 0 1 289.828 3.723 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000903598748 1130183697 /nfs/dbraw/zinc/18/36/97/1130183697.db2.gz XWYOPBHGYXQMKE-RRFJBIMHSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)C[N@@H+](CCC1=CCCCC1)CC(C)(C)C(=O)[O-] ZINC000903621765 1130184767 /nfs/dbraw/zinc/18/47/67/1130184767.db2.gz DQAVVJWDEIPWPH-UHFFFAOYSA-N 0 1 281.440 3.946 20 0 CHADMN CC(C)[C@@H](NCc1cnc(Cl)cn1)c1ccccc1 ZINC000788470231 1130188315 /nfs/dbraw/zinc/18/83/15/1130188315.db2.gz OEDLPFOTRPGIHD-OAHLLOKOSA-N 0 1 275.783 3.617 20 0 CHADMN CCC1CCC([N@@H+](C)CCC2(C(=O)[O-])CCC2)CC1 ZINC000903696166 1130190222 /nfs/dbraw/zinc/19/02/22/1130190222.db2.gz CWXZBCNAVDCCSZ-UHFFFAOYSA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1C[C@H]1C[C@H]1c1ccccc1 ZINC000903696925 1130190315 /nfs/dbraw/zinc/19/03/15/1130190315.db2.gz CUDUIJXNQOJAQV-IKGGRYGDSA-N 0 1 287.403 3.509 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903696478 1130190491 /nfs/dbraw/zinc/19/04/91/1130190491.db2.gz XSYZFPVMEJHIEW-ZBFHGGJFSA-N 0 1 287.403 3.509 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@H]2/C=C\c2ccccc2)CCC1 ZINC000903708077 1130192083 /nfs/dbraw/zinc/19/20/83/1130192083.db2.gz XFRUEVUBPMHKIY-IBSYWUHOSA-N 0 1 299.414 3.809 20 0 CHADMN CSCCCCc1noc([C@H](C)N2[C@@H](C)CC[C@@H]2C)n1 ZINC000903786042 1130198090 /nfs/dbraw/zinc/19/80/90/1130198090.db2.gz UVYHHSQCCJBULV-AVGNSLFASA-N 0 1 297.468 3.689 20 0 CHADMN Fc1cc2[nH]ccc2c(-c2ccc3cncn3c2)c1 ZINC001240033191 1130200946 /nfs/dbraw/zinc/20/09/46/1130200946.db2.gz QBLYYVRFEMPCOM-UHFFFAOYSA-N 0 1 251.264 3.622 20 0 CHADMN COc1ccc(-c2c[nH]cc3nc(C)nc2-3)cc1Cl ZINC001240034040 1130201667 /nfs/dbraw/zinc/20/16/67/1130201667.db2.gz LMVGGIZXRLJKAI-UHFFFAOYSA-N 0 1 273.723 3.595 20 0 CHADMN COc1ccc(-c2cncc3[nH]c(C)nc32)cc1Cl ZINC001240034040 1130201671 /nfs/dbraw/zinc/20/16/71/1130201671.db2.gz LMVGGIZXRLJKAI-UHFFFAOYSA-N 0 1 273.723 3.595 20 0 CHADMN Fc1cc2[nH]ccc2c(-c2cncc3cc[nH]c32)c1 ZINC001240033473 1130201784 /nfs/dbraw/zinc/20/17/84/1130201784.db2.gz WWDSBRNNRQSISB-UHFFFAOYSA-N 0 1 251.264 3.850 20 0 CHADMN C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC000903893396 1130208047 /nfs/dbraw/zinc/20/80/47/1130208047.db2.gz DEFGGBYMLXPWNH-STQMWFEESA-N 0 1 298.386 3.553 20 0 CHADMN CC[C@@]1(C)CCC[N@H+]([C@@H](CCc2ccccc2)C(=O)[O-])C1 ZINC000903891864 1130208581 /nfs/dbraw/zinc/20/85/81/1130208581.db2.gz TVUQIGNEYAUVRI-WMZOPIPTSA-N 0 1 289.419 3.585 20 0 CHADMN CC[C@@]1(C)CCC[N@H+]([C@H](CCc2ccccc2)C(=O)[O-])C1 ZINC000903891861 1130208741 /nfs/dbraw/zinc/20/87/41/1130208741.db2.gz TVUQIGNEYAUVRI-AEFFLSMTSA-N 0 1 289.419 3.585 20 0 CHADMN CCC[C@@H]1CCC[N@H+]([C@H](CCc2ccccc2)C(=O)[O-])C1 ZINC000903894359 1130208974 /nfs/dbraw/zinc/20/89/74/1130208974.db2.gz UUVPEYCMIZYURC-IAGOWNOFSA-N 0 1 289.419 3.585 20 0 CHADMN Cc1cccc([C@H]2CCCCC[N@H+]2C[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000903894248 1130209106 /nfs/dbraw/zinc/20/91/06/1130209106.db2.gz RNQBVLOHZWODEI-GVDBMIGSSA-N 0 1 287.403 3.633 20 0 CHADMN Cc1cscc1CN[C@H]1CCc2ccc(Cl)nc21 ZINC000788794788 1130209479 /nfs/dbraw/zinc/20/94/79/1130209479.db2.gz IQLBMAJROVFVDQ-LBPRGKRZSA-N 0 1 278.808 3.882 20 0 CHADMN O=C([O-])c1cccc2c1C[N@@H+](C[C@@H]1CC3CCC1CC3)CC2 ZINC000903901760 1130209797 /nfs/dbraw/zinc/20/97/97/1130209797.db2.gz PBVIDYIOPAXJDJ-XUJLQICISA-N 0 1 299.414 3.569 20 0 CHADMN Cc1ccc(C[N@@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]2C)cc1C ZINC000903948505 1130211342 /nfs/dbraw/zinc/21/13/42/1130211342.db2.gz FRBQTMRXQQTXCZ-IVSAIRAKSA-N 0 1 289.419 3.623 20 0 CHADMN CC1(C)C[C@@H](c2ccccc2)C[N@H+]1CCCCCC(=O)[O-] ZINC000903935304 1130211593 /nfs/dbraw/zinc/21/15/93/1130211593.db2.gz WNMSOGZUCOGPOP-MRXNPFEDSA-N 0 1 289.419 3.900 20 0 CHADMN Cc1ccc(C[N@@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)cc1C ZINC000903948506 1130211819 /nfs/dbraw/zinc/21/18/19/1130211819.db2.gz FRBQTMRXQQTXCZ-KLZNWCGWSA-N 0 1 289.419 3.623 20 0 CHADMN COc1ccsc1CN[C@@H]1c2ccccc2NC1(C)C ZINC000903948411 1130212087 /nfs/dbraw/zinc/21/20/87/1130212087.db2.gz PVBNAJSOFXYDBW-OAHLLOKOSA-N 0 1 288.416 3.792 20 0 CHADMN Cc1cc(C)cc(C[N@@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]2C)c1 ZINC000903951629 1130212140 /nfs/dbraw/zinc/21/21/40/1130212140.db2.gz UBTITFOJNKYNJM-HWMZRRJGSA-N 0 1 289.419 3.623 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](C/C=C/c2ccccc2)[C@H](C)[C@H]1C(=O)[O-] ZINC000903950505 1130212271 /nfs/dbraw/zinc/21/22/71/1130212271.db2.gz QCKIVZDESBEZHQ-OWKHNUEASA-N 0 1 287.403 3.519 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCCCC(F)(F)F)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903952917 1130212699 /nfs/dbraw/zinc/21/26/99/1130212699.db2.gz NCXSRLGEAMSANJ-WRWGMCAJSA-N 0 1 295.345 3.539 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCC(C)(C)C2CC2)[C@H](C)[C@H]1C(=O)[O-] ZINC000903952700 1130212843 /nfs/dbraw/zinc/21/28/43/1130212843.db2.gz LMYGPJBCCCMQKK-COMQUAJESA-N 0 1 281.440 3.632 20 0 CHADMN C[C@H](C[N@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]1C)CC(C)(C)C ZINC000903952811 1130212903 /nfs/dbraw/zinc/21/29/03/1130212903.db2.gz WNLHJCCFVSOAMT-SBJFKYEJSA-N 0 1 283.456 3.878 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1ccc(O)cc1OC ZINC001139143157 1130216553 /nfs/dbraw/zinc/21/65/53/1130216553.db2.gz ICRAVCOBYWFKHJ-UHFFFAOYSA-N 0 1 289.350 3.562 20 0 CHADMN Cc1ncc2c(n1)CCC[C@H]2N[C@@H]1CCc2ccc(F)cc21 ZINC000748270856 1130226143 /nfs/dbraw/zinc/22/61/43/1130226143.db2.gz ZHFTWIKBDIKIFY-QZTJIDSGSA-N 0 1 297.377 3.579 20 0 CHADMN CCCCCC[C@](C)(CCC)C(=O)NCc1cnc[nH]1 ZINC000748323241 1130228896 /nfs/dbraw/zinc/22/88/96/1130228896.db2.gz WEIOOFOGOUKIRN-INIZCTEOSA-N 0 1 279.428 3.803 20 0 CHADMN C[C@@H]1CC[C@@H](n2c3cc(Cl)ccc3nc2CN)C1 ZINC001170098262 1130232506 /nfs/dbraw/zinc/23/25/06/1130232506.db2.gz PWPXWTIPVVUYRF-MWLCHTKSSA-N 0 1 263.772 3.510 20 0 CHADMN Clc1ccc(C2(N[C@@H]3CCCOC3)CC2)c(Cl)c1 ZINC001254366064 1130239956 /nfs/dbraw/zinc/23/99/56/1130239956.db2.gz MZFAHUKDJLTZTE-LLVKDONJSA-N 0 1 286.202 3.751 20 0 CHADMN C[C@H]1CC[C@@H](NC2(c3cccc(C(F)(F)F)c3)COC2)C1 ZINC001170105730 1130249437 /nfs/dbraw/zinc/24/94/37/1130249437.db2.gz SIXDXSALTXSXLU-SMDDNHRTSA-N 0 1 299.336 3.709 20 0 CHADMN C[C@@H]1CC[C@H](NC2(c3cccc(C(F)(F)F)c3)COC2)C1 ZINC001170105729 1130249449 /nfs/dbraw/zinc/24/94/49/1130249449.db2.gz SIXDXSALTXSXLU-RISCZKNCSA-N 0 1 299.336 3.709 20 0 CHADMN CC1(C)CN(C[C@@H](O)c2ccccc2F)[C@H]1c1ccccc1 ZINC000748833668 1130250432 /nfs/dbraw/zinc/25/04/32/1130250432.db2.gz TXYAIQOKFVXJBJ-MSOLQXFVSA-N 0 1 299.389 3.942 20 0 CHADMN Cc1cc(C)cc([C@H](O)CN2CC[C@@H]2c2cccc(F)c2)c1 ZINC000748832059 1130251604 /nfs/dbraw/zinc/25/16/04/1130251604.db2.gz DCEAIRBZRSGQKL-RTBURBONSA-N 0 1 299.389 3.923 20 0 CHADMN Cc1cccc(-c2cccc(CCN3CCOCC3)c2)c1C ZINC001240265872 1130252035 /nfs/dbraw/zinc/25/20/35/1130252035.db2.gz LVALCYFUITWQEK-UHFFFAOYSA-N 0 1 295.426 3.845 20 0 CHADMN C=Cc1ccccc1-c1cccc(CCN2CCOCC2)c1 ZINC001240265974 1130252211 /nfs/dbraw/zinc/25/22/11/1130252211.db2.gz OTGZLKYDQGEFEU-UHFFFAOYSA-N 0 1 293.410 3.871 20 0 CHADMN C/C=C(\CC)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000789641940 1130267947 /nfs/dbraw/zinc/26/79/47/1130267947.db2.gz NQVUQDCLQJGBCR-YNYSXPKMSA-N 0 1 291.782 3.750 20 0 CHADMN c1nc2cccc(-c3ccc4ncsc4c3)c2[nH]1 ZINC001240342622 1130271260 /nfs/dbraw/zinc/27/12/60/1130271260.db2.gz FSTILHHXDKDFKI-UHFFFAOYSA-N 0 1 251.314 3.840 20 0 CHADMN CC(C)CCN(C)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000676884327 1130274579 /nfs/dbraw/zinc/27/45/79/1130274579.db2.gz VDNUQXGSSHLMEA-UHFFFAOYSA-N 0 1 293.361 3.628 20 0 CHADMN CC=C(CC)C(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 ZINC000789744324 1130275687 /nfs/dbraw/zinc/27/56/87/1130275687.db2.gz SJOYADYLYXEVBH-ACAGNQJTSA-N 0 1 283.375 3.988 20 0 CHADMN Cc1cc(CN(C)CCOc2ccccc2)cc(Cl)n1 ZINC000789744473 1130275899 /nfs/dbraw/zinc/27/58/99/1130275899.db2.gz UQBDIGHJEYNKEN-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN Cc1c(CN2CCC3(CCCC3)CC2)nc2ccccn12 ZINC001137267713 1130277661 /nfs/dbraw/zinc/27/76/61/1130277661.db2.gz HXVSSUVZIHFMQA-UHFFFAOYSA-N 0 1 283.419 3.799 20 0 CHADMN Cn1cc(-c2ccc(-c3ccc4nc[nH]c4c3)cc2)cn1 ZINC001240363778 1130278721 /nfs/dbraw/zinc/27/87/21/1130278721.db2.gz QQWKXWUXVYYUSI-UHFFFAOYSA-N 0 1 274.327 3.630 20 0 CHADMN F[C@H]1CCCCN(Cc2cnc3ccccc3c2)C1 ZINC001137276996 1130280354 /nfs/dbraw/zinc/28/03/54/1130280354.db2.gz IFWWULSWCCOGSM-HNNXBMFYSA-N 0 1 258.340 3.559 20 0 CHADMN COc1cnc(F)c(C2=CCCN(Cc3ccccc3)C2)c1 ZINC001240387238 1130287169 /nfs/dbraw/zinc/28/71/69/1130287169.db2.gz KTWCAKZZFJANGO-UHFFFAOYSA-N 0 1 298.361 3.519 20 0 CHADMN COc1ccnc(F)c1C1=CCCN(Cc2ccccc2)C1 ZINC001240390080 1130288376 /nfs/dbraw/zinc/28/83/76/1130288376.db2.gz BATMPOIWWMEDCC-UHFFFAOYSA-N 0 1 298.361 3.519 20 0 CHADMN Cc1occc1CN[C@H]1CCc2c1cc(F)cc2F ZINC000677129112 1130292210 /nfs/dbraw/zinc/29/22/10/1130292210.db2.gz FORNSJBLVPJONC-HNNXBMFYSA-N 0 1 263.287 3.643 20 0 CHADMN CCCc1ccc([C@@H](C)NCc2ccnn2CC)cc1 ZINC000677140053 1130294326 /nfs/dbraw/zinc/29/43/26/1130294326.db2.gz YVSCTHSTLVUFBD-CQSZACIVSA-N 0 1 271.408 3.706 20 0 CHADMN CC(C)(O)c1cccc(-c2cc3nc[nH]c3cc2F)c1 ZINC001240410183 1130296285 /nfs/dbraw/zinc/29/62/85/1130296285.db2.gz RYKQBSLKQQKBTK-UHFFFAOYSA-N 0 1 270.307 3.596 20 0 CHADMN Cc1csc(CN(C)CCc2ccncc2)c1Cl ZINC001137291541 1130306103 /nfs/dbraw/zinc/30/61/03/1130306103.db2.gz WYJOTWNSJQACRT-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN Cc1cc(-c2nc(C(C)(C)C)nc3nc[nH]c32)c(C)s1 ZINC001240428325 1130306634 /nfs/dbraw/zinc/30/66/34/1130306634.db2.gz UMFJWSWNMIXMQO-UHFFFAOYSA-N 0 1 286.404 3.947 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3ccc(Cl)cc32)[nH]n1 ZINC000677806682 1130332446 /nfs/dbraw/zinc/33/24/46/1130332446.db2.gz JLOPJVMXXDTMRF-HNNXBMFYSA-N 0 1 275.783 3.539 20 0 CHADMN Cc1cc(CNC(=O)C/C=C\c2ccc(C(C)C)cc2)n[nH]1 ZINC000677926040 1130339197 /nfs/dbraw/zinc/33/91/97/1130339197.db2.gz VGKGINJQRJRKLR-PLNGDYQASA-N 0 1 297.402 3.561 20 0 CHADMN COc1cc(-c2cn[nH]c2C)c(OC)c2ccccc12 ZINC001240522586 1130342284 /nfs/dbraw/zinc/34/22/84/1130342284.db2.gz KEJVQSRCHZPMNH-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN Cc1nc(C2(NC[C@@H]3C[C@@H]3c3ccccc3)CCCC2)no1 ZINC000678074496 1130347509 /nfs/dbraw/zinc/34/75/09/1130347509.db2.gz CWIHDDIVAOMEPF-JKSUJKDBSA-N 0 1 297.402 3.541 20 0 CHADMN Cc1ccc([C@@H](C)C(=O)Nc2cc3cn[nH]c3cc2C)o1 ZINC000791057480 1130348423 /nfs/dbraw/zinc/34/84/23/1130348423.db2.gz WEUNYXSDEQRPIE-LLVKDONJSA-N 0 1 283.331 3.515 20 0 CHADMN Cc1nc2c[nH]cc(-c3cccc(N4CCCC4)c3)c-2n1 ZINC001240537400 1130349117 /nfs/dbraw/zinc/34/91/17/1130349117.db2.gz QZMPHGRALSNKCS-UHFFFAOYSA-N 0 1 278.359 3.534 20 0 CHADMN Cc1nc2c(cncc2-c2cccc(N3CCCC3)c2)[nH]1 ZINC001240537400 1130349123 /nfs/dbraw/zinc/34/91/23/1130349123.db2.gz QZMPHGRALSNKCS-UHFFFAOYSA-N 0 1 278.359 3.534 20 0 CHADMN c1ncn2c1cccc2-c1cccc(N2CCCC2)c1 ZINC001240537583 1130349370 /nfs/dbraw/zinc/34/93/70/1130349370.db2.gz UQXGQIOEQCJVEC-UHFFFAOYSA-N 0 1 263.344 3.602 20 0 CHADMN CCC[N@H+](Cc1n[nH]c2ccccc21)Cc1ccccc1 ZINC000678121288 1130352868 /nfs/dbraw/zinc/35/28/68/1130352868.db2.gz CKGMAKPCZMDWPB-UHFFFAOYSA-N 0 1 279.387 3.975 20 0 CHADMN CCC[N@@H+](Cc1n[nH]c2ccccc21)Cc1ccccc1 ZINC000678121288 1130352874 /nfs/dbraw/zinc/35/28/74/1130352874.db2.gz CKGMAKPCZMDWPB-UHFFFAOYSA-N 0 1 279.387 3.975 20 0 CHADMN CCc1cc(O)ccc1NC(=O)c1c(O)cccc1Cl ZINC000791157944 1130354280 /nfs/dbraw/zinc/35/42/80/1130354280.db2.gz WSXCDUXLLJZKDK-UHFFFAOYSA-N 0 1 291.734 3.566 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1n[nH]c2ccccc21 ZINC000678144632 1130358887 /nfs/dbraw/zinc/35/88/87/1130358887.db2.gz OIGJAYAKBNYKCL-LLVKDONJSA-N 0 1 271.389 3.817 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1[nH]nc2ccccc21 ZINC000678144632 1130358893 /nfs/dbraw/zinc/35/88/93/1130358893.db2.gz OIGJAYAKBNYKCL-LLVKDONJSA-N 0 1 271.389 3.817 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1ccncc1)c1ccccn1 ZINC000678143559 1130359703 /nfs/dbraw/zinc/35/97/03/1130359703.db2.gz MXGRRYGSCMANSG-XJKSGUPXSA-N 0 1 255.365 3.669 20 0 CHADMN CCCCN(Cc1cn[nH]c1)[C@H](C)c1ccc(C)o1 ZINC000678162430 1130363044 /nfs/dbraw/zinc/36/30/44/1130363044.db2.gz DQICWPPYXIMEGP-CYBMUJFWSA-N 0 1 261.369 3.674 20 0 CHADMN COCCN(Cc1cscc1Cl)C1CCCC1 ZINC000678155373 1130363239 /nfs/dbraw/zinc/36/32/39/1130363239.db2.gz PAZJASDMOLBJKF-UHFFFAOYSA-N 0 1 273.829 3.793 20 0 CHADMN Cn1ccc2ccc(-c3cc(N4CCCC4)ccn3)cc21 ZINC001240570678 1130365911 /nfs/dbraw/zinc/36/59/11/1130365911.db2.gz BHCJRYQSBISFBD-UHFFFAOYSA-N 0 1 277.371 3.841 20 0 CHADMN Clc1ccccc1C1=CCN([C@@H]2CCCOC2)CC1 ZINC000678173763 1130367196 /nfs/dbraw/zinc/36/71/96/1130367196.db2.gz GNRFJRQIENCLRH-CQSZACIVSA-N 0 1 277.795 3.608 20 0 CHADMN COc1ccccc1CN1CCOc2ccccc2[C@H]1C ZINC000678196859 1130369036 /nfs/dbraw/zinc/36/90/36/1130369036.db2.gz KMLSSQOFUXULFN-CQSZACIVSA-N 0 1 283.371 3.651 20 0 CHADMN CCN(Cc1cn[nH]c1)[C@@H](C)c1cc2ccccc2o1 ZINC000678213924 1130371869 /nfs/dbraw/zinc/37/18/69/1130371869.db2.gz JHHIMKAWXVAVPW-LBPRGKRZSA-N 0 1 269.348 3.739 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1ccc(N2CCCCC2)nc1 ZINC001240585841 1130373731 /nfs/dbraw/zinc/37/37/31/1130373731.db2.gz RKFXTGSEQPVZLZ-UHFFFAOYSA-N 0 1 292.386 3.924 20 0 CHADMN c1c[nH]c([C@@H]2CCCCN2C[C@@H]2CCOc3ccccc32)n1 ZINC000678225148 1130374077 /nfs/dbraw/zinc/37/40/77/1130374077.db2.gz YZRCCUNESOQELE-HOCLYGCPSA-N 0 1 297.402 3.503 20 0 CHADMN Cc1csc([C@@H]2CCCN2Cc2ccc3nc[nH]c3c2)n1 ZINC000678227687 1130374120 /nfs/dbraw/zinc/37/41/20/1130374120.db2.gz OMCMXRILGAFUPT-HNNXBMFYSA-N 0 1 298.415 3.665 20 0 CHADMN c1n[nH]cc1CN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000678241314 1130377654 /nfs/dbraw/zinc/37/76/54/1130377654.db2.gz RNLNASLSAKMYRJ-QGZVFWFLSA-N 0 1 280.375 3.618 20 0 CHADMN CCOC(=O)c1cc2cc(-c3cc(C)cc(F)c3)cnc2[nH]1 ZINC001240595888 1130380130 /nfs/dbraw/zinc/38/01/30/1130380130.db2.gz RTRBFNPWBUWWSI-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN Clc1cccc2c1CCN(Cc1[nH]nc3ccccc31)C2 ZINC000678259482 1130381004 /nfs/dbraw/zinc/38/10/04/1130381004.db2.gz SEPFMZKEICNCQT-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN CNc1ncc2cc(-c3ccc4nc(C)[nH]c4c3)ccc2n1 ZINC001240600125 1130381672 /nfs/dbraw/zinc/38/16/72/1130381672.db2.gz JZNLLHWWGIEZEO-UHFFFAOYSA-N 0 1 289.342 3.523 20 0 CHADMN Fc1cc(CN2CC[C@H](c3ccco3)C2)cc(F)c1F ZINC000678262493 1130382076 /nfs/dbraw/zinc/38/20/76/1130382076.db2.gz RULUORBWHBVQDP-NSHDSACASA-N 0 1 281.277 3.686 20 0 CHADMN C[C@H]1c2c(F)cccc2CCN1Cc1[nH]nc2ccccc21 ZINC000678267949 1130384391 /nfs/dbraw/zinc/38/43/91/1130384391.db2.gz TWISEJSJMDOPIE-LBPRGKRZSA-N 0 1 295.361 3.821 20 0 CHADMN Fc1cccn2cc(CN3CCC[C@@]4(CC=CCC4)C3)nc12 ZINC000678267128 1130385462 /nfs/dbraw/zinc/38/54/62/1130385462.db2.gz NMALQEIYLCZXEA-SFHVURJKSA-N 0 1 299.393 3.796 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1ccc(O)c(F)c1F ZINC001243342688 1130387179 /nfs/dbraw/zinc/38/71/79/1130387179.db2.gz OMGGXJYNDJEGHZ-UHFFFAOYSA-N 0 1 260.243 3.522 20 0 CHADMN Cc1cc(C)c(CN2CCC[C@@H]2c2ccc(C)nc2)[nH]1 ZINC001137331055 1130395003 /nfs/dbraw/zinc/39/50/03/1130395003.db2.gz NWTKQWUHZDTCFJ-QGZVFWFLSA-N 0 1 269.392 3.672 20 0 CHADMN Cc1cc(CN2CC(c3nc4ccccc4[nH]3)C2)ccc1F ZINC000678314829 1130399490 /nfs/dbraw/zinc/39/94/90/1130399490.db2.gz RGDZTTDZYXOKHG-UHFFFAOYSA-N 0 1 295.361 3.610 20 0 CHADMN COc1cc(-c2cccc3nc[nH]c32)cc(F)c1F ZINC001240661130 1130403533 /nfs/dbraw/zinc/40/35/33/1130403533.db2.gz JSHPOGOXMUEBLG-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN COc1cc(-c2cc3[nH]ccc3c(C)n2)cc(F)c1F ZINC001240660539 1130404893 /nfs/dbraw/zinc/40/48/93/1130404893.db2.gz PNJQXFXRXUFZNI-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1cnc(CC(C)C)s1 ZINC000678362895 1130409621 /nfs/dbraw/zinc/40/96/21/1130409621.db2.gz SHVNTKWVXFHQDW-ZDUSSCGKSA-N 0 1 289.448 3.896 20 0 CHADMN CO[C@H](C)CN(Cc1cccc(F)c1Cl)C(C)C ZINC000678520730 1130424772 /nfs/dbraw/zinc/42/47/72/1130424772.db2.gz YQSATXAVHYPVJY-LLVKDONJSA-N 0 1 273.779 3.724 20 0 CHADMN CCC[C@H](C)NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000678541257 1130426259 /nfs/dbraw/zinc/42/62/59/1130426259.db2.gz VJZSVBDZEFJHAW-QMMMGPOBSA-N 0 1 296.321 3.811 20 0 CHADMN C[C@@H](N[C@H](CO)CC1CC1)c1cc(Cl)sc1Cl ZINC000678606113 1130440050 /nfs/dbraw/zinc/44/00/50/1130440050.db2.gz GUCZPBUNODLMSV-APPZFPTMSA-N 0 1 294.247 3.867 20 0 CHADMN CCCc1ccc([C@@H](C)NCc2cc(C)ncn2)cc1 ZINC000678604451 1130440160 /nfs/dbraw/zinc/44/01/60/1130440160.db2.gz FQNCEYHWKZVZBA-CQSZACIVSA-N 0 1 269.392 3.588 20 0 CHADMN Cc1ccnc(CNC(C)(C)c2ccc(F)cc2)c1 ZINC000792249012 1130440577 /nfs/dbraw/zinc/44/05/77/1130440577.db2.gz UVZGYAMTFMGMBM-UHFFFAOYSA-N 0 1 258.340 3.554 20 0 CHADMN CCCCn1cc(CN[C@H](C)c2cnc(C)s2)c(C)n1 ZINC000678696409 1130446277 /nfs/dbraw/zinc/44/62/77/1130446277.db2.gz AHXYWIHKRCYKAD-GFCCVEGCSA-N 0 1 292.452 3.607 20 0 CHADMN CCCOc1ccc(F)cc1-c1ccc2cncn2c1 ZINC001243401893 1130451288 /nfs/dbraw/zinc/45/12/88/1130451288.db2.gz GEFUZVXFKBICOP-UHFFFAOYSA-N 0 1 270.307 3.929 20 0 CHADMN C[C@H]1CCc2ccccc2[C@H]1NCc1ccc(F)cn1 ZINC000678770889 1130452553 /nfs/dbraw/zinc/45/25/53/1130452553.db2.gz WCSGZQAWLADLQZ-SJCJKPOMSA-N 0 1 270.351 3.634 20 0 CHADMN c1ccc2c(CN3CCC[C@@H]4CCCC[C@H]43)n[nH]c2c1 ZINC001137349954 1130454134 /nfs/dbraw/zinc/45/41/34/1130454134.db2.gz WUYIYEJDZDCYBC-SUMWQHHRSA-N 0 1 269.392 3.718 20 0 CHADMN C[C@H](CN(C)Cc1nc2c(s1)CCC2)c1ccccc1 ZINC000678824961 1130460884 /nfs/dbraw/zinc/46/08/84/1130460884.db2.gz FVIJUDNSLJCVBN-CYBMUJFWSA-N 0 1 286.444 3.867 20 0 CHADMN C(c1nc2c(s1)CCC2)N1C2CCCC1CCC2 ZINC000678838335 1130463863 /nfs/dbraw/zinc/46/38/63/1130463863.db2.gz UEYDMEOQBDRPIG-UHFFFAOYSA-N 0 1 262.422 3.539 20 0 CHADMN Cn1ccc2c1ccnc2-c1ccc2c(c1)CCCO2 ZINC001240774029 1130466334 /nfs/dbraw/zinc/46/63/34/1130466334.db2.gz OJMRUDRBVWERKI-UHFFFAOYSA-N 0 1 264.328 3.565 20 0 CHADMN CC[C@H](NCc1noc(C(C)C)n1)C1CCCCC1 ZINC000678896159 1130468426 /nfs/dbraw/zinc/46/84/26/1130468426.db2.gz ZGADYGQUOIWDAJ-ZDUSSCGKSA-N 0 1 265.401 3.642 20 0 CHADMN FC(F)(F)c1cncc(-c2ccc3nc[nH]c3c2)c1 ZINC001240791365 1130473946 /nfs/dbraw/zinc/47/39/46/1130473946.db2.gz RDEKEEGADNBSFA-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1cncc(C(F)(F)F)c1 ZINC001240792494 1130474983 /nfs/dbraw/zinc/47/49/83/1130474983.db2.gz YMEDGYBTEJUHEI-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN CCCc1ccc(CNCc2ccc(Cl)cn2)cc1 ZINC000678941021 1130475306 /nfs/dbraw/zinc/47/53/06/1130475306.db2.gz JNGJFRKSKCSQAO-UHFFFAOYSA-N 0 1 274.795 3.977 20 0 CHADMN CCc1c(NCc2ccc3nc[nH]c3c2)cnn1CC(C)C ZINC000678941164 1130476008 /nfs/dbraw/zinc/47/60/08/1130476008.db2.gz ZLWQPFXWSMIQOU-UHFFFAOYSA-N 0 1 297.406 3.590 20 0 CHADMN CC(C)(C)c1nc2nc[nH]c2c(-c2ccc3cc[nH]c3c2)n1 ZINC001240796825 1130476813 /nfs/dbraw/zinc/47/68/13/1130476813.db2.gz IRBMEKMEKPBFBC-UHFFFAOYSA-N 0 1 291.358 3.750 20 0 CHADMN C[C@H](Cc1ccccc1Cl)N1CC2(C1)C[C@H](F)CS2 ZINC001170286684 1130479840 /nfs/dbraw/zinc/47/98/40/1130479840.db2.gz FDXVDDUDQXZGQZ-YPMHNXCESA-N 0 1 299.842 3.800 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1nc2c(s1)CCCC2 ZINC000678977154 1130480337 /nfs/dbraw/zinc/48/03/37/1130480337.db2.gz NVQBGRLUFHIXQY-NWDGAFQWSA-N 0 1 264.438 3.642 20 0 CHADMN CC(C)[C@@H](NCc1ccc(Cl)o1)c1cccnc1 ZINC000678998157 1130481197 /nfs/dbraw/zinc/48/11/97/1130481197.db2.gz ROCIVRRCIKJLQT-CQSZACIVSA-N 0 1 264.756 3.815 20 0 CHADMN C[C@@H](NC1CC(c2ccccc2F)C1)c1cscn1 ZINC000679032592 1130486630 /nfs/dbraw/zinc/48/66/30/1130486630.db2.gz PIPDXZMCAIWGEM-VOMCLLRMSA-N 0 1 276.380 3.879 20 0 CHADMN COc1ccc2c(c1)C[C@@H](Nc1nc(C)ccc1C)CC2 ZINC001170410945 1130491490 /nfs/dbraw/zinc/49/14/90/1130491490.db2.gz QIYHKGWOQUBNLS-INIZCTEOSA-N 0 1 282.387 3.676 20 0 CHADMN Cc1cc(C(=O)CN(C)[C@@H]2CCCc3ccccc32)c(C)[nH]1 ZINC000679123974 1130495093 /nfs/dbraw/zinc/49/50/93/1130495093.db2.gz QSAGDWBPYCPRLR-GOSISDBHSA-N 0 1 296.414 3.824 20 0 CHADMN CC(C)[C@H]1CCCC[C@H]1Nc1cnn(-c2ccncc2)c1 ZINC000679125140 1130495492 /nfs/dbraw/zinc/49/54/92/1130495492.db2.gz BFYXEJALMJHEJJ-IAGOWNOFSA-N 0 1 284.407 3.894 20 0 CHADMN C[C@]12CCN(Cc3cccc(F)c3)C[C@H]1C2(Cl)Cl ZINC000792905891 1130505711 /nfs/dbraw/zinc/50/57/11/1130505711.db2.gz NCUDLQKYVVHMPC-OLZOCXBDSA-N 0 1 288.193 3.841 20 0 CHADMN CCc1cccc(F)c1CNCc1ccc([C@H](C)O)cc1 ZINC000792932196 1130507812 /nfs/dbraw/zinc/50/78/12/1130507812.db2.gz NPZOFBZMCVSNMW-ZDUSSCGKSA-N 0 1 287.378 3.731 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@H](C)c1ccccc1OC(C)C ZINC000679334053 1130515547 /nfs/dbraw/zinc/51/55/47/1130515547.db2.gz GDYLKCNHQFTRGG-CHWSQXEVSA-N 0 1 287.407 3.917 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1ccccc1C(F)(F)F ZINC000679338225 1130517257 /nfs/dbraw/zinc/51/72/57/1130517257.db2.gz HUBLVORCMNKMDQ-SECBINFHSA-N 0 1 283.297 3.588 20 0 CHADMN C[C@H]1CCN(Cc2ccc(OCC(F)F)cc2)C[C@@H]1F ZINC000679358880 1130519810 /nfs/dbraw/zinc/51/98/10/1130519810.db2.gz NNZLWFSLTFTNAW-FZMZJTMJSA-N 0 1 287.325 3.510 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN2CC[C@@H](C)[C@@H](F)C2)cc1 ZINC000679360639 1130521498 /nfs/dbraw/zinc/52/14/98/1130521498.db2.gz VUYBPLFEWORVMI-CJNGLKHVSA-N 0 1 287.382 3.565 20 0 CHADMN Cc1cnc(-c2cccc(N[C@@H](C)c3cn[nH]c3C)c2)o1 ZINC000679363827 1130522230 /nfs/dbraw/zinc/52/22/30/1130522230.db2.gz QXZDSTLFXAELDW-NSHDSACASA-N 0 1 282.347 3.855 20 0 CHADMN Cc1ccccc1[C@H]1CN(Cc2ccc(O)cc2)[C@@H](C)CO1 ZINC000679393949 1130526109 /nfs/dbraw/zinc/52/61/09/1130526109.db2.gz YEAKNRQXJJXXSB-HNAYVOBHSA-N 0 1 297.398 3.663 20 0 CHADMN CC(C)OC(=O)c1cccc(-c2cccn3cncc23)c1 ZINC001240947236 1130528526 /nfs/dbraw/zinc/52/85/26/1130528526.db2.gz JFDCTGSTEIBHGU-UHFFFAOYSA-N 0 1 280.327 3.567 20 0 CHADMN Cc1cc(CN2CCC[C@H](CCF)C2)cnc1Cl ZINC000827270991 1130534733 /nfs/dbraw/zinc/53/47/33/1130534733.db2.gz IFPQJXWCIMZNMX-GFCCVEGCSA-N 0 1 270.779 3.615 20 0 CHADMN Fc1ncccc1CNCc1cccc(-c2ccccn2)c1 ZINC000793290687 1130538794 /nfs/dbraw/zinc/53/87/94/1130538794.db2.gz VKARKIQTULZFCO-UHFFFAOYSA-N 0 1 293.345 3.573 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2CCCc3nc(C)sc32)s1 ZINC000679574629 1130541587 /nfs/dbraw/zinc/54/15/87/1130541587.db2.gz BIEVDBBWQNUDFI-LDYMZIIASA-N 0 1 293.461 3.945 20 0 CHADMN COc1cccc2cc(CN(C)Cc3cnccc3C)oc21 ZINC000793338151 1130543820 /nfs/dbraw/zinc/54/38/20/1130543820.db2.gz SJLSWIDXNLNNNY-UHFFFAOYSA-N 0 1 296.370 3.777 20 0 CHADMN CN(Cc1cc(Cl)ccn1)Cc1cccc2cccnc21 ZINC001139563225 1130545431 /nfs/dbraw/zinc/54/54/31/1130545431.db2.gz BSKONMKEUXRRJT-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN CSc1ccc(CN2CCC(F)(F)CC2)cc1 ZINC000793351964 1130549285 /nfs/dbraw/zinc/54/92/85/1130549285.db2.gz JVWZIEKNUOUUDR-UHFFFAOYSA-N 0 1 257.349 3.640 20 0 CHADMN FC(F)O[C@H]1CCCN(CCc2ccccc2Cl)C1 ZINC000679681706 1130552059 /nfs/dbraw/zinc/55/20/59/1130552059.db2.gz IRILBYBLGQSSBM-LBPRGKRZSA-N 0 1 289.753 3.586 20 0 CHADMN CC[N@H+]1CCc2cc(-c3cc(C(=O)[O-])ccc3C)ccc2C1 ZINC001241000628 1130558254 /nfs/dbraw/zinc/55/82/54/1130558254.db2.gz HWDKBZXVMQVLCD-UHFFFAOYSA-N 0 1 295.382 3.738 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@H](C)c2cc(C)nn2C)cc1 ZINC000793521719 1130561774 /nfs/dbraw/zinc/56/17/74/1130561774.db2.gz XGFKUEJYVWCGRE-ZIAGYGMSSA-N 0 1 287.407 3.539 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2ccc(F)c(C)c2)n(C)n1 ZINC000793551828 1130568801 /nfs/dbraw/zinc/56/88/01/1130568801.db2.gz WBBDXCXJAJADJD-CHWSQXEVSA-N 0 1 275.371 3.588 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(C3CCC3)cc2)n(C)n1 ZINC000793559241 1130569962 /nfs/dbraw/zinc/56/99/62/1130569962.db2.gz ZHCXUUBOJPRUEJ-CQSZACIVSA-N 0 1 283.419 3.847 20 0 CHADMN C(=C\[C@@H]1CCCCCN1Cc1cncnc1)\c1cccs1 ZINC000680003144 1130571166 /nfs/dbraw/zinc/57/11/66/1130571166.db2.gz TXUIGSRGYRPUEF-PTZVLDCSSA-N 0 1 299.443 3.996 20 0 CHADMN CC(C)(C)N1CC(Oc2ccc3c(ccnc3Cl)c2)C1 ZINC001234046622 1130602761 /nfs/dbraw/zinc/60/27/61/1130602761.db2.gz PIQQDOLVYBTGHY-UHFFFAOYSA-N 0 1 290.794 3.750 20 0 CHADMN Cc1cnc(=S)n(CN2CCC3(CCCCC3)CC2)c1 ZINC000758318661 1130605615 /nfs/dbraw/zinc/60/56/15/1130605615.db2.gz PYDUMFBSEDPAQF-UHFFFAOYSA-N 0 1 291.464 3.925 20 0 CHADMN CC(C)[C@@H](C)N(C)Cc1ccnc(Cl)c1Cl ZINC000811453885 1130610512 /nfs/dbraw/zinc/61/05/12/1130610512.db2.gz DMYPMHICCFAEGK-SECBINFHSA-N 0 1 261.196 3.865 20 0 CHADMN CN(C)c1ccnc(Cl)c1CN1CCC[C@H]2CCC[C@H]21 ZINC001234143593 1130611398 /nfs/dbraw/zinc/61/13/98/1130611398.db2.gz TZVVVYZUGIQSFV-TZMCWYRMSA-N 0 1 293.842 3.566 20 0 CHADMN Cc1cc(CN2CC(C)(C)[C@@H]2C2CC2)cc(Cl)n1 ZINC000811513425 1130618680 /nfs/dbraw/zinc/61/86/80/1130618680.db2.gz HWXMQKPPCPNLTD-AWEZNQCLSA-N 0 1 264.800 3.664 20 0 CHADMN Cc1cn[nH]c1CN1CCCSc2cc(C)ccc21 ZINC000811509450 1130618732 /nfs/dbraw/zinc/61/87/32/1130618732.db2.gz YKHYRJWRRQESKO-UHFFFAOYSA-N 0 1 273.405 3.529 20 0 CHADMN C[C@H](CN1CCC(C(=O)c2ccccc2)CC1)C(F)(F)F ZINC000441150817 1130635614 /nfs/dbraw/zinc/63/56/14/1130635614.db2.gz DYANIGIJTPBLGM-GFCCVEGCSA-N 0 1 299.336 3.780 20 0 CHADMN COc1ccc([C@H](C)NCc2cccc(F)n2)cc1Cl ZINC000747745147 1130646790 /nfs/dbraw/zinc/64/67/90/1130646790.db2.gz WCECTGMJTJIHMX-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN Cc1cc(C)c(O)c(NC(=O)c2ccc(Cl)c(O)c2)c1 ZINC001170663355 1130669263 /nfs/dbraw/zinc/66/92/63/1130669263.db2.gz YYGNTYDJYUDCFZ-UHFFFAOYSA-N 0 1 291.734 3.620 20 0 CHADMN CCC[C@@H](Oc1nc(F)nc2nc[nH]c21)C1CCCCC1 ZINC001234689903 1130673563 /nfs/dbraw/zinc/67/35/63/1130673563.db2.gz JIXHABYUKQOVSZ-LLVKDONJSA-N 0 1 292.358 3.620 20 0 CHADMN Cc1ccc2c(c1OC1CCN(C3CC3)CC1)CCCC2=O ZINC001234849554 1130682403 /nfs/dbraw/zinc/68/24/03/1130682403.db2.gz LKQKFVLPINUCAO-UHFFFAOYSA-N 0 1 299.414 3.520 20 0 CHADMN CCC(C)=C(C)C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000780917088 1130696027 /nfs/dbraw/zinc/69/60/27/1130696027.db2.gz OXSPBFRXMKXBIP-VAWYXSNFSA-N 0 1 269.348 3.762 20 0 CHADMN CN(Cc1ncc(F)cn1)C1CCC(C(C)(C)C)CC1 ZINC001235015118 1130703919 /nfs/dbraw/zinc/70/39/19/1130703919.db2.gz CPGSELIWZIHLKJ-UHFFFAOYSA-N 0 1 279.403 3.652 20 0 CHADMN CC(C)(C)CCCOC(=O)c1c(F)cc(O)cc1F ZINC000781178327 1130707789 /nfs/dbraw/zinc/70/77/89/1130707789.db2.gz BFJJPCXWIRRAMA-UHFFFAOYSA-N 0 1 272.291 3.654 20 0 CHADMN CCN1CCN(Cc2cc(-c3ccsc3)cs2)CC1 ZINC001235178044 1130719376 /nfs/dbraw/zinc/71/93/76/1130719376.db2.gz ZUPBUAXBBSIUON-UHFFFAOYSA-N 0 1 292.473 3.614 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@@H](F)CC2)c(F)c1 ZINC001235189240 1130720576 /nfs/dbraw/zinc/72/05/76/1130720576.db2.gz IDTDEIIFLOEIBB-LLVKDONJSA-N 0 1 257.299 3.597 20 0 CHADMN Cc1cc(F)c(CN2CCC3(CC(F)C3)CC2)c(F)c1 ZINC001235190451 1130721322 /nfs/dbraw/zinc/72/13/22/1130721322.db2.gz QIQYSVSNBLMBQM-UHFFFAOYSA-N 0 1 283.337 3.987 20 0 CHADMN Cc1cc(F)c(CN2CCC3(CCC3)C2)c(F)c1 ZINC001235196411 1130722068 /nfs/dbraw/zinc/72/20/68/1130722068.db2.gz CHDQXDSEIUUIDQ-UHFFFAOYSA-N 0 1 251.320 3.649 20 0 CHADMN Cc1cc(F)c(CN2CC[C@H](C)C[C@@H]2C)c(F)c1 ZINC001235196370 1130722554 /nfs/dbraw/zinc/72/25/54/1130722554.db2.gz BUIDENKKFBESEJ-JQWIXIFHSA-N 0 1 253.336 3.894 20 0 CHADMN CN(C/C=C\Cl)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812882007 1130723313 /nfs/dbraw/zinc/72/33/13/1130723313.db2.gz JKWRYMKOSLFWDM-UPINEFLWSA-N 0 1 255.711 3.792 20 0 CHADMN CSC1CCN(Cc2cc3cccc(F)c3[nH]2)CC1 ZINC001235246058 1130727315 /nfs/dbraw/zinc/72/73/15/1130727315.db2.gz ISJVUAOSBVKOCO-UHFFFAOYSA-N 0 1 278.396 3.634 20 0 CHADMN CCc1cccc(CN2Cc3ccccc3[C@H](C)C2)n1 ZINC001235250465 1130727752 /nfs/dbraw/zinc/72/77/52/1130727752.db2.gz JOQUYCZMSKXUQF-CQSZACIVSA-N 0 1 266.388 3.763 20 0 CHADMN Fc1cccc2cc(CN3CC(c4ccccc4)C3)[nH]c21 ZINC001235248513 1130727776 /nfs/dbraw/zinc/72/77/76/1130727776.db2.gz HFPZASOSAYCMNM-UHFFFAOYSA-N 0 1 280.346 3.906 20 0 CHADMN Cc1ccc(-c2cccc(CN3C[C@@H]4C[C@H]3CO4)c2)cc1 ZINC001235314940 1130733013 /nfs/dbraw/zinc/73/30/13/1130733013.db2.gz JOVKPMVQLHLJNP-OALUTQOASA-N 0 1 279.383 3.635 20 0 CHADMN Cc1cnc(F)c(CN2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001235339710 1130733472 /nfs/dbraw/zinc/73/34/72/1130733472.db2.gz OVCKSGRXDDBWGA-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1cnc(F)c(CN2CCC(Cc3ccccc3)CC2)c1 ZINC001235333064 1130734515 /nfs/dbraw/zinc/73/45/15/1130734515.db2.gz UNLCAUMUKRTFLK-UHFFFAOYSA-N 0 1 298.405 3.984 20 0 CHADMN CCOc1cc(O)cc(CN(C)Cc2ccc(C)cc2)c1 ZINC001235399038 1130738955 /nfs/dbraw/zinc/73/89/55/1130738955.db2.gz WPMBQHFJBKTPII-UHFFFAOYSA-N 0 1 285.387 3.731 20 0 CHADMN Cc1cc(OC(C)C)ncc1CN1CCCC[C@@](C)(F)C1 ZINC001235417074 1130740633 /nfs/dbraw/zinc/74/06/33/1130740633.db2.gz JOTFDDNVCUNGQW-QGZVFWFLSA-N 0 1 294.414 3.891 20 0 CHADMN CCc1cc(CN[C@H](c2ccc(F)c(F)c2)C(C)C)[nH]n1 ZINC000781896472 1130745904 /nfs/dbraw/zinc/74/59/04/1130745904.db2.gz LGARMBPRAKORAF-INIZCTEOSA-N 0 1 293.361 3.737 20 0 CHADMN C[C@@H]1CC[C@@]2(CCN(Cc3ccc(Cl)nc3)C2)C1 ZINC000781928404 1130750043 /nfs/dbraw/zinc/75/00/43/1130750043.db2.gz LAOGLJGIFOLIEC-IUODEOHRSA-N 0 1 264.800 3.747 20 0 CHADMN Cc1nonc1CN(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000747843628 1130752963 /nfs/dbraw/zinc/75/29/63/1130752963.db2.gz OTDYFVVINZFOGM-PWSUYJOCSA-N 0 1 293.798 3.655 20 0 CHADMN Cc1cc(Cl)cc(CN2C[C@@H](C)C[C@H]2CF)c1 ZINC001235535671 1130753650 /nfs/dbraw/zinc/75/36/50/1130753650.db2.gz WWWOALRDYFKLEA-FZMZJTMJSA-N 0 1 255.764 3.828 20 0 CHADMN Cc1ccnc(CN2[C@@H](C)CCC[C@@H]2C)c1Cl ZINC001235575576 1130755755 /nfs/dbraw/zinc/75/57/55/1130755755.db2.gz QKIIXFLJLCPOOR-RYUDHWBXSA-N 0 1 252.789 3.806 20 0 CHADMN CN(C)c1cc(CN2CCC[C@@H]2c2cccc(F)c2)ccn1 ZINC000782174369 1130757756 /nfs/dbraw/zinc/75/77/56/1130757756.db2.gz JTPKMMJFEDHUDI-QGZVFWFLSA-N 0 1 299.393 3.624 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ncc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000813328034 1130759406 /nfs/dbraw/zinc/75/94/06/1130759406.db2.gz MGABITDYJNDBKK-NSHDSACASA-N 0 1 297.324 3.664 20 0 CHADMN C[C@@H](CN(C)Cc1ncc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000813328034 1130759414 /nfs/dbraw/zinc/75/94/14/1130759414.db2.gz MGABITDYJNDBKK-NSHDSACASA-N 0 1 297.324 3.664 20 0 CHADMN CC(C)(C)OC(=O)n1cccc1CN1CCC12CCCC2 ZINC001235626310 1130760881 /nfs/dbraw/zinc/76/08/81/1130760881.db2.gz BXEOYBNCEMSJDG-UHFFFAOYSA-N 0 1 290.407 3.790 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1nc2ccc(F)cc2[nH]1 ZINC001235682978 1130767690 /nfs/dbraw/zinc/76/76/90/1130767690.db2.gz LWVRXHYBIMKNOO-LBPRGKRZSA-N 0 1 295.361 3.821 20 0 CHADMN CN(CCCc1ccccc1)Cc1nc2cc(F)ccc2[nH]1 ZINC001235693302 1130770382 /nfs/dbraw/zinc/77/03/82/1130770382.db2.gz QLGYXALGHCEDHS-UHFFFAOYSA-N 0 1 297.377 3.767 20 0 CHADMN CC(C)c1nc(CSCCSC(C)(C)C)n[nH]1 ZINC000813576788 1130773596 /nfs/dbraw/zinc/77/35/96/1130773596.db2.gz SQPSWIAVZOJGSP-UHFFFAOYSA-N 0 1 273.471 3.693 20 0 CHADMN CC(C)[C@H](C)N(C)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000782451089 1130779288 /nfs/dbraw/zinc/77/92/88/1130779288.db2.gz ZTKNOQSBEBXKNA-QMMMGPOBSA-N 0 1 297.752 3.569 20 0 CHADMN CCOc1cc(CN2CCC[C@@H](C(F)F)C2)ccc1F ZINC001235802899 1130781716 /nfs/dbraw/zinc/78/17/16/1130781716.db2.gz GEQRLYXEUZXGAR-GFCCVEGCSA-N 0 1 287.325 3.702 20 0 CHADMN Cc1oncc1CN[C@@H](CC1CC1)c1ccccc1 ZINC000782529388 1130782059 /nfs/dbraw/zinc/78/20/59/1130782059.db2.gz MNPMHRIORPPWMP-INIZCTEOSA-N 0 1 256.349 3.614 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1ccc(F)nc1C ZINC001235817464 1130782380 /nfs/dbraw/zinc/78/23/80/1130782380.db2.gz LSKARXGUESHKKD-UHFFFAOYSA-N 0 1 276.330 3.690 20 0 CHADMN CCOc1cc(CN2CCC[C@H](C(F)F)C2)ccc1F ZINC001235802902 1130782532 /nfs/dbraw/zinc/78/25/32/1130782532.db2.gz GEQRLYXEUZXGAR-LBPRGKRZSA-N 0 1 287.325 3.702 20 0 CHADMN CCSc1cccc(CNCc2ccc(F)nc2C)c1 ZINC000813791215 1130785180 /nfs/dbraw/zinc/78/51/80/1130785180.db2.gz YLYUHJUBHLFJFF-UHFFFAOYSA-N 0 1 290.407 3.931 20 0 CHADMN Cc1nc2cc(CN(C)Cc3cccc(O)c3)ccc2s1 ZINC001235850796 1130788980 /nfs/dbraw/zinc/78/89/80/1130788980.db2.gz OEVNWGRVUSFJFE-UHFFFAOYSA-N 0 1 298.411 3.942 20 0 CHADMN C[C@@]1(F)CCCN(C[C@H](O)c2cccc3ccccc32)C1 ZINC000830212219 1130790920 /nfs/dbraw/zinc/79/09/20/1130790920.db2.gz MHKRKRREOWVSJK-ZWKOTPCHSA-N 0 1 287.378 3.697 20 0 CHADMN Cc1nc2ccc(NC(=O)CCCc3ccsc3)cc2[nH]1 ZINC000783047306 1130795524 /nfs/dbraw/zinc/79/55/24/1130795524.db2.gz ZEAVRYQZMSQTCU-UHFFFAOYSA-N 0 1 299.399 3.894 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCC2 ZINC000783227141 1130803907 /nfs/dbraw/zinc/80/39/07/1130803907.db2.gz TXZIXVWYWSGNEO-GXTWGEPZSA-N 0 1 281.403 3.686 20 0 CHADMN CN(C)Cc1ccc(-c2cc(O)cc(Cl)c2)cc1F ZINC001235909604 1130805323 /nfs/dbraw/zinc/80/53/23/1130805323.db2.gz PBFOMWPBOBLTRG-UHFFFAOYSA-N 0 1 279.742 3.913 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2nccnc2C)cc(C)c1F ZINC000783243962 1130806671 /nfs/dbraw/zinc/80/66/71/1130806671.db2.gz QBDWLZCZYMABTL-OCCSQVGLSA-N 0 1 287.382 3.953 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1n[nH]c2cc(N)ccc21 ZINC001235959325 1130816290 /nfs/dbraw/zinc/81/62/90/1130816290.db2.gz HMGCNDUJKOHTPN-SFHVURJKSA-N 0 1 294.402 3.728 20 0 CHADMN Cc1cccc2ncc(-c3c(F)cc(F)c(O)c3F)nc12 ZINC001235985938 1130823145 /nfs/dbraw/zinc/82/31/45/1130823145.db2.gz QAMFOFWDCLAGSE-UHFFFAOYSA-N 0 1 290.244 3.728 20 0 CHADMN Oc1c(F)cc(F)c(-c2cnc3ccc(F)cc3n2)c1F ZINC001235983749 1130823373 /nfs/dbraw/zinc/82/33/73/1130823373.db2.gz GQJQETBSPDIPPD-UHFFFAOYSA-N 0 1 294.207 3.559 20 0 CHADMN CC(C)(C)c1ccnc(-c2c(F)cc(F)c(O)c2F)n1 ZINC001235986804 1130823535 /nfs/dbraw/zinc/82/35/35/1130823535.db2.gz XQJXDZJLJMITDQ-UHFFFAOYSA-N 0 1 282.265 3.564 20 0 CHADMN Oc1c(F)cc(F)c(-c2nccc3ccoc32)c1F ZINC001235985199 1130823637 /nfs/dbraw/zinc/82/36/37/1130823637.db2.gz KPDUFHDXDJGDHZ-UHFFFAOYSA-N 0 1 265.190 3.618 20 0 CHADMN Cc1nc(-c2c(F)cc(F)c(O)c2F)cc2[nH]ccc21 ZINC001235988938 1130823734 /nfs/dbraw/zinc/82/37/34/1130823734.db2.gz BWGWAAXRMIHUOQ-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc3c(c2)OCCCO3)c1F ZINC001235996039 1130825884 /nfs/dbraw/zinc/82/58/84/1130825884.db2.gz JBDRBWWMZBMHDW-UHFFFAOYSA-N 0 1 296.244 3.638 20 0 CHADMN CNc1cccc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001236000732 1130830212 /nfs/dbraw/zinc/83/02/12/1130830212.db2.gz VAICDDQQQPXQLU-UHFFFAOYSA-N 0 1 253.223 3.518 20 0 CHADMN Cc1cnc(=S)n(CN2CCCC3(CCCC3)C2)c1 ZINC000783544363 1130836804 /nfs/dbraw/zinc/83/68/04/1130836804.db2.gz XVPUKJXAOWMUDR-UHFFFAOYSA-N 0 1 277.437 3.535 20 0 CHADMN Cc1cc2[nH]ccc2c(-c2ccnn2Cc2ccccc2)n1 ZINC001236046099 1130836902 /nfs/dbraw/zinc/83/69/02/1130836902.db2.gz SAHDNMVYRDKQHY-UHFFFAOYSA-N 0 1 288.354 3.783 20 0 CHADMN OCc1ccc(C(F)(F)F)cc1-c1cccc2nc[nH]c21 ZINC001236060428 1130843105 /nfs/dbraw/zinc/84/31/05/1130843105.db2.gz ZYWVIGWUJPYLJT-UHFFFAOYSA-N 0 1 292.260 3.741 20 0 CHADMN Cc1cc(OC(C)C)cc(C)c1-c1cc(N)ccn1 ZINC001236072229 1130848912 /nfs/dbraw/zinc/84/89/12/1130848912.db2.gz HVOCXVUWNBXYBX-UHFFFAOYSA-N 0 1 256.349 3.735 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1cccnc1OC(C)C ZINC001236104543 1130865017 /nfs/dbraw/zinc/86/50/17/1130865017.db2.gz WTSGATFMNRYIAI-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN Cc1c(Cl)cccc1CN1CCc2cc(N)ccc2C1 ZINC001236109652 1130866460 /nfs/dbraw/zinc/86/64/60/1130866460.db2.gz VHFMCHXCJLGHRD-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN COc1ccc(CNCc2cccc(F)n2)c2ccccc12 ZINC000747936181 1130866809 /nfs/dbraw/zinc/86/68/09/1130866809.db2.gz QSVQHMOVMUVGTO-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1cccnc1N1CCCC1 ZINC001236122419 1130868832 /nfs/dbraw/zinc/86/88/32/1130868832.db2.gz AULNQCQRKZOURS-UHFFFAOYSA-N 0 1 278.359 3.534 20 0 CHADMN c1ccc2c(c1)cncc2C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000784208340 1130890569 /nfs/dbraw/zinc/89/05/69/1130890569.db2.gz KMLQBNRYVLYPEY-IBGZPJMESA-N 0 1 289.382 3.967 20 0 CHADMN CCN(Cc1n[nH]c(C(C)(C)C)n1)c1ccc2[nH]ccc2c1 ZINC000814634540 1130891410 /nfs/dbraw/zinc/89/14/10/1130891410.db2.gz XSXZAGYFJWIXNJ-UHFFFAOYSA-N 0 1 297.406 3.610 20 0 CHADMN FC(F)(F)[C@@H]1CC=C(c2[nH]ccc3ncnc2-3)CC1 ZINC001236243921 1130903179 /nfs/dbraw/zinc/90/31/79/1130903179.db2.gz DMVUUNDKAKHPNA-SECBINFHSA-N 0 1 267.254 3.704 20 0 CHADMN CC(C)[C@@H](F)C(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000784504509 1130907905 /nfs/dbraw/zinc/90/79/05/1130907905.db2.gz IVWLUZCBLULSJY-PRHODGIISA-N 0 1 298.745 3.815 20 0 CHADMN CC(C)c1cnc(CN[C@H](C)COc2ccccc2)s1 ZINC000784519578 1130908850 /nfs/dbraw/zinc/90/88/50/1130908850.db2.gz VFNJSGNXDTVJHW-CYBMUJFWSA-N 0 1 290.432 3.824 20 0 CHADMN Cc1cnc(-c2ccc(F)c(OC(C)C)c2F)cc1N ZINC001236338658 1130915392 /nfs/dbraw/zinc/91/53/92/1130915392.db2.gz DBYCSWXHYVHEOA-UHFFFAOYSA-N 0 1 278.302 3.705 20 0 CHADMN Cc1csc(CN2CCc3c(N)cccc3C2)c1Cl ZINC001236361896 1130919189 /nfs/dbraw/zinc/91/91/89/1130919189.db2.gz BVBNFXOFYCIOLC-UHFFFAOYSA-N 0 1 292.835 3.850 20 0 CHADMN Cc1cccc(CN2CCc3c(N)cccc3C2)c1Cl ZINC001236365700 1130920019 /nfs/dbraw/zinc/92/00/19/1130920019.db2.gz RUHRURFCBKZTMY-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)O[C@H](C)c1ccccc1 ZINC000784881279 1130921731 /nfs/dbraw/zinc/92/17/31/1130921731.db2.gz SBDWIBOOYPEEPO-GFCCVEGCSA-N 0 1 272.348 3.760 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)O[C@@H](C)c1ccccc1 ZINC000784881281 1130921776 /nfs/dbraw/zinc/92/17/76/1130921776.db2.gz SBDWIBOOYPEEPO-LBPRGKRZSA-N 0 1 272.348 3.760 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1ccc(CF)cc1 ZINC000796673475 1130923258 /nfs/dbraw/zinc/92/32/58/1130923258.db2.gz QUKIUZFMNJWJKR-UHFFFAOYSA-N 0 1 276.355 3.786 20 0 CHADMN c1n[nH]c2c1[C@H](Nc1ccc(OCC3CC3)cc1)CCC2 ZINC000796871926 1130941348 /nfs/dbraw/zinc/94/13/48/1130941348.db2.gz GRFKKINULTXXPO-MRXNPFEDSA-N 0 1 283.375 3.688 20 0 CHADMN C[C@H](N[C@H](CC1CC1)c1ccccc1)c1ncc[nH]1 ZINC000796879668 1130942540 /nfs/dbraw/zinc/94/25/40/1130942540.db2.gz KUBUPQZGBWFDSX-SWLSCSKDSA-N 0 1 255.365 3.602 20 0 CHADMN FC(F)COc1ccccc1N[C@H]1CCCc2[nH]ncc21 ZINC000796886671 1130942802 /nfs/dbraw/zinc/94/28/02/1130942802.db2.gz AZBFQDMJDFFRRT-NSHDSACASA-N 0 1 293.317 3.543 20 0 CHADMN CSc1ccc(C)c(N[C@H]2CCCc3[nH]ncc32)c1 ZINC000796901592 1130944345 /nfs/dbraw/zinc/94/43/45/1130944345.db2.gz XUYNYQOVHOQFGT-ZDUSSCGKSA-N 0 1 273.405 3.930 20 0 CHADMN Cc1cc(N[C@H]2CCCc3[nH]ncc32)ccc1OC(C)C ZINC000796925483 1130946666 /nfs/dbraw/zinc/94/66/66/1130946666.db2.gz WUINKWFTRWPHBM-HNNXBMFYSA-N 0 1 285.391 3.995 20 0 CHADMN CC[C@@]1(C)Oc2ccc(N[C@@H]3CCCc4[nH]ncc43)cc2O1 ZINC000796959234 1130948557 /nfs/dbraw/zinc/94/85/57/1130948557.db2.gz MUUIGDKQEHNQFK-DYVFJYSZSA-N 0 1 299.374 3.797 20 0 CHADMN Cc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1OC(C)C ZINC000796971927 1130950249 /nfs/dbraw/zinc/95/02/49/1130950249.db2.gz HDGMVHAXOXDOGB-HNNXBMFYSA-N 0 1 285.391 3.995 20 0 CHADMN C[C@@H]1CCC[C@H](C)CN1Cc1ccnc(Br)c1 ZINC000815053631 1130952033 /nfs/dbraw/zinc/95/20/33/1130952033.db2.gz UUUVQRJEWJBMGK-NWDGAFQWSA-N 0 1 297.240 3.855 20 0 CHADMN C[C@H](c1ccccn1)N(C)C[C@@H](O)c1cc2ccccc2o1 ZINC000815077284 1130956456 /nfs/dbraw/zinc/95/64/56/1130956456.db2.gz GPKBIFUJSXORML-CZUORRHYSA-N 0 1 296.370 3.554 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)[C@@H](O)c2ccc(C)cc2)cs1 ZINC000797056349 1130956982 /nfs/dbraw/zinc/95/69/82/1130956982.db2.gz BTIWEYQLHXGWPB-HWWQOWPSSA-N 0 1 290.432 3.533 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)[C@@H](O)c2ccc(C)cc2)cs1 ZINC000797056351 1130957137 /nfs/dbraw/zinc/95/71/37/1130957137.db2.gz BTIWEYQLHXGWPB-MQIPJXDCSA-N 0 1 290.432 3.533 20 0 CHADMN C[C@H](COc1ccccc1)[NH2+]Cc1cccc([O-])c1Cl ZINC000815120441 1130958424 /nfs/dbraw/zinc/95/84/24/1130958424.db2.gz ILIRXNZHLMNDCI-GFCCVEGCSA-N 0 1 291.778 3.603 20 0 CHADMN Cc1ccc([C@@H](NCc2cnn(C)c2Cl)C2CC2)cc1 ZINC000815114158 1130958692 /nfs/dbraw/zinc/95/86/92/1130958692.db2.gz FGQGOWSNRDEWBP-OAHLLOKOSA-N 0 1 289.810 3.623 20 0 CHADMN CCc1cc(CNCc2ccc(C3CCC3)cc2)[nH]n1 ZINC000815125850 1130959640 /nfs/dbraw/zinc/95/96/40/1130959640.db2.gz AZBNDTFHZZAHST-UHFFFAOYSA-N 0 1 269.392 3.529 20 0 CHADMN Cc1ccccc1[C@H](NCc1cnn(C)c1Cl)C1CC1 ZINC000815126265 1130959684 /nfs/dbraw/zinc/95/96/84/1130959684.db2.gz JRBXNDRGGQGUII-OAHLLOKOSA-N 0 1 289.810 3.623 20 0 CHADMN Cc1nc2cccc(-c3ccnc(OC(C)C)c3)c2[nH]1 ZINC001236564103 1130976109 /nfs/dbraw/zinc/97/61/09/1130976109.db2.gz KIVSIJIPBOFRJD-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cnc(OC(C)C)cc1C ZINC001236581706 1130979655 /nfs/dbraw/zinc/97/96/55/1130979655.db2.gz VCOUPEZDMZFQOB-UHFFFAOYSA-N 0 1 297.358 3.729 20 0 CHADMN Oc1cncc(-c2ccc3nc(-c4ccccc4)[nH]c3c2)c1 ZINC001236585666 1130981709 /nfs/dbraw/zinc/98/17/09/1130981709.db2.gz ZYLUAACQPQOTJF-UHFFFAOYSA-N 0 1 287.322 3.998 20 0 CHADMN Cc1cc(Cl)cc(CN(C)Cc2ccccc2)n1 ZINC001236632345 1130984699 /nfs/dbraw/zinc/98/46/99/1130984699.db2.gz CPLFZFMNRGOEKC-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN FC(F)(F)c1cc(CN2CCC[C@H]3C[C@H]32)cnc1Cl ZINC001236631791 1130985923 /nfs/dbraw/zinc/98/59/23/1130985923.db2.gz OCIFBIDSVTUNEM-GXSJLCMTSA-N 0 1 290.716 3.738 20 0 CHADMN COc1cc2ccccc2cc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001236677143 1130991683 /nfs/dbraw/zinc/99/16/83/1130991683.db2.gz HUIVPZKOJRBNOL-BHYGNILZSA-N 0 1 285.362 3.638 20 0 CHADMN CC1(C)COCCN1Cc1cccc2sccc21 ZINC001236678345 1130992077 /nfs/dbraw/zinc/99/20/77/1130992077.db2.gz AEQFFMOQZAAMBN-UHFFFAOYSA-N 0 1 261.390 3.512 20 0 CHADMN [O-]c1cc(C[N@H+](CC2CC2)C2CC2)ccc1Br ZINC001236695711 1130995684 /nfs/dbraw/zinc/99/56/84/1130995684.db2.gz OAQKGPVHFGJQEI-UHFFFAOYSA-N 0 1 296.208 3.529 20 0 CHADMN [O-]c1cc(C[N@@H+](CC2CC2)C2CC2)ccc1Br ZINC001236695711 1130995685 /nfs/dbraw/zinc/99/56/85/1130995685.db2.gz OAQKGPVHFGJQEI-UHFFFAOYSA-N 0 1 296.208 3.529 20 0 CHADMN C[N@H+](Cc1ccc(F)c([O-])c1)[C@@H]1CCc2ccccc21 ZINC001236713610 1130998262 /nfs/dbraw/zinc/99/82/62/1130998262.db2.gz OJQRKVJQOPKJEA-MRXNPFEDSA-N 0 1 271.335 3.651 20 0 CHADMN C[N@@H+](Cc1ccc(F)c([O-])c1)[C@@H]1CCc2ccccc21 ZINC001236713610 1130998265 /nfs/dbraw/zinc/99/82/65/1130998265.db2.gz OJQRKVJQOPKJEA-MRXNPFEDSA-N 0 1 271.335 3.651 20 0 CHADMN Cc1c(F)ccc(CN2CC[C@@H]3OCCC[C@@H]3C2)c1Cl ZINC001236708894 1130998344 /nfs/dbraw/zinc/99/83/44/1130998344.db2.gz RYDBCJARWVACLY-DOMZBBRYSA-N 0 1 297.801 3.788 20 0 CHADMN Cc1cccc(CN[C@H](C)c2ccc(F)cc2C)n1 ZINC000815561968 1130999765 /nfs/dbraw/zinc/99/97/65/1130999765.db2.gz UITFUOICKAMPKP-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1cn2c(cccc2C)n1 ZINC000815578104 1131001848 /nfs/dbraw/zinc/00/18/48/1131001848.db2.gz HOUIVHFEDVXIQK-AWEZNQCLSA-N 0 1 297.377 3.941 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(Cl)cc(C(=O)OC)c1 ZINC001236775346 1131003866 /nfs/dbraw/zinc/00/38/66/1131003866.db2.gz KBBJJHSBOWGAJF-HNNXBMFYSA-N 0 1 295.810 3.891 20 0 CHADMN COc1cc(CN2CCC[C@H]3CCC[C@H]32)c(F)cc1F ZINC001236823507 1131015239 /nfs/dbraw/zinc/01/52/39/1131015239.db2.gz AMPULUAZIAFFOD-IAQYHMDHSA-N 0 1 281.346 3.738 20 0 CHADMN COc1cc(CN2CC[C@@H]3CCC[C@@H]3C2)c(F)cc1F ZINC001236819586 1131015256 /nfs/dbraw/zinc/01/52/56/1131015256.db2.gz DPFWEUBIDBKPIQ-NWDGAFQWSA-N 0 1 281.346 3.595 20 0 CHADMN C[C@H](Cc1ccccc1F)NCc1c(F)cc(F)cc1F ZINC000815649237 1131017078 /nfs/dbraw/zinc/01/70/78/1131017078.db2.gz KGUVHNNNTWLHTR-SNVBAGLBSA-N 0 1 297.295 3.964 20 0 CHADMN CC1=CCCN([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000797999704 1131020473 /nfs/dbraw/zinc/02/04/73/1131020473.db2.gz XDFPVKAHVLLUFS-HNNXBMFYSA-N 0 1 294.398 3.819 20 0 CHADMN CCOc1cncc(CN(C)Cc2ccc(CC)cc2)c1 ZINC001236846452 1131021936 /nfs/dbraw/zinc/02/19/36/1131021936.db2.gz YHLGSMMJSBXDAP-UHFFFAOYSA-N 0 1 284.403 3.675 20 0 CHADMN Oc1cc2ccccc2c(CN2CC3(C2)CC(F)(F)C3)c1 ZINC001237065557 1131044999 /nfs/dbraw/zinc/04/49/99/1131044999.db2.gz MXZSITRBCRWKJJ-UHFFFAOYSA-N 0 1 289.325 3.777 20 0 CHADMN Oc1cc2ccccc2c(CN2CCCC[C@H](F)C2)c1 ZINC001237066652 1131045499 /nfs/dbraw/zinc/04/54/99/1131045499.db2.gz WKFGDILJFZNELZ-HNNXBMFYSA-N 0 1 273.351 3.869 20 0 CHADMN CN(Cc1cccc(O)c1)Cc1cc(O)cc2ccccc21 ZINC001237066402 1131045698 /nfs/dbraw/zinc/04/56/98/1131045698.db2.gz SPZKNZLGLMVROZ-UHFFFAOYSA-N 0 1 293.366 3.883 20 0 CHADMN CC(C)(C)Oc1cccc(CN2CC(c3cccnc3)C2)c1 ZINC001237101972 1131049403 /nfs/dbraw/zinc/04/94/03/1131049403.db2.gz GKRDSNIBBHCDHK-UHFFFAOYSA-N 0 1 296.414 3.858 20 0 CHADMN CCC[C@H]1CCCC[N@@H+]1Cc1sc(=O)[n-]c1Cl ZINC001237150967 1131058824 /nfs/dbraw/zinc/05/88/24/1131058824.db2.gz LBWLSHMUDMSJBA-VIFPVBQESA-N 0 1 274.817 3.657 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1sc(=O)[n-]c1Cl ZINC001237150967 1131058829 /nfs/dbraw/zinc/05/88/29/1131058829.db2.gz LBWLSHMUDMSJBA-VIFPVBQESA-N 0 1 274.817 3.657 20 0 CHADMN CCN(C)c1ccccc1CN[C@@H]1CCCc2cccnc21 ZINC000798928980 1131062055 /nfs/dbraw/zinc/06/20/55/1131062055.db2.gz JDBIBWUXAHBNOZ-QGZVFWFLSA-N 0 1 295.430 3.705 20 0 CHADMN Cc1c(CN2CCC(C(F)F)CC2)ccc(F)c1F ZINC001237160582 1131062259 /nfs/dbraw/zinc/06/22/59/1131062259.db2.gz FLEHOMYGCHZCFQ-UHFFFAOYSA-N 0 1 275.289 3.750 20 0 CHADMN Cc1c(CN2CC3(C2)CCCC3)ccc(F)c1F ZINC001237157500 1131063029 /nfs/dbraw/zinc/06/30/29/1131063029.db2.gz GNSOYBMSOGLMHO-UHFFFAOYSA-N 0 1 251.320 3.649 20 0 CHADMN Cc1cc(F)cc(CN2CCNC3=CCCC[C@H]32)c1Cl ZINC001237228342 1131071602 /nfs/dbraw/zinc/07/16/02/1131071602.db2.gz JKSKZUVEEMAQBY-OAHLLOKOSA-N 0 1 294.801 3.629 20 0 CHADMN COc1nc(Cl)ccc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC001237242397 1131071977 /nfs/dbraw/zinc/07/19/77/1131071977.db2.gz FARXVKZXMWQQEA-JSGCOSHPSA-N 0 1 294.826 3.898 20 0 CHADMN CC[C@@H](NCc1cnc(Cl)cn1)c1ccc(C)cc1 ZINC000799154320 1131072326 /nfs/dbraw/zinc/07/23/26/1131072326.db2.gz LITDXPNPGUWJQL-CQSZACIVSA-N 0 1 275.783 3.679 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1Cc1cnc(Cl)cn1 ZINC000799139610 1131073224 /nfs/dbraw/zinc/07/32/24/1131073224.db2.gz RLKIVVYEBNMMHF-DGCLKSJQSA-N 0 1 267.804 3.531 20 0 CHADMN COc1cc(CN2CCCC[C@@H](F)C2)ccc1C(F)F ZINC001237271754 1131075017 /nfs/dbraw/zinc/07/50/17/1131075017.db2.gz CHARVLRWFKLUAF-GFCCVEGCSA-N 0 1 287.325 3.957 20 0 CHADMN Fc1cccc(CN2CC[C@@H](c3ccccn3)C2)c1Cl ZINC000799194486 1131076148 /nfs/dbraw/zinc/07/61/48/1131076148.db2.gz RZNGYQVBDXRBGV-GFCCVEGCSA-N 0 1 290.769 3.864 20 0 CHADMN C[C@H]1CCCN(Cc2ccncc2C(F)(F)F)CC1 ZINC001237285372 1131077538 /nfs/dbraw/zinc/07/75/38/1131077538.db2.gz MULFBYCLAQFHBS-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN Oc1cc(F)cc(CN2CCC3(CC[C@H](F)C3)CC2)c1 ZINC001237282209 1131077713 /nfs/dbraw/zinc/07/77/13/1131077713.db2.gz ZVSQZMILCDOSBS-ZDUSSCGKSA-N 0 1 281.346 3.636 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1ccncc1C(F)(F)F ZINC001237286781 1131078516 /nfs/dbraw/zinc/07/85/16/1131078516.db2.gz COLRHWGFTUFHTO-GHMZBOCLSA-N 0 1 272.314 3.863 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2CCc2ccccc2)CCO1 ZINC001237298790 1131078942 /nfs/dbraw/zinc/07/89/42/1131078942.db2.gz QDZKVRLCIBGUCQ-QGZVFWFLSA-N 0 1 295.426 3.693 20 0 CHADMN Cc1ccc(CN(C)Cc2c(C)cc(F)cc2C)cn1 ZINC001237325619 1131082475 /nfs/dbraw/zinc/08/24/75/1131082475.db2.gz MOPQOOOXJONYAN-UHFFFAOYSA-N 0 1 272.367 3.778 20 0 CHADMN CCN(Cc1ccccn1)Cc1c(C)cc(F)cc1C ZINC001237322406 1131084084 /nfs/dbraw/zinc/08/40/84/1131084084.db2.gz OWIVZWDURNWSJC-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN Cc1ccc(COC(=O)c2[nH]c(-c3ccccc3)nc2C)o1 ZINC000816426565 1131091759 /nfs/dbraw/zinc/09/17/59/1131091759.db2.gz NKJYJOKGBOSNCT-UHFFFAOYSA-N 0 1 296.326 3.644 20 0 CHADMN CN(Cc1cnccc1Br)CC1CCCCC1 ZINC001237386433 1131094659 /nfs/dbraw/zinc/09/46/59/1131094659.db2.gz BGVFRQJDOKAIBR-UHFFFAOYSA-N 0 1 297.240 3.856 20 0 CHADMN COc1c(F)ccc(-c2cc(O)c(F)c(F)c2F)c1F ZINC001245638931 1131097766 /nfs/dbraw/zinc/09/77/66/1131097766.db2.gz LBTJZBZGBLEVKJ-UHFFFAOYSA-N 0 1 290.187 3.763 20 0 CHADMN COc1ccc(F)c(CN(C)CCc2ccccc2F)c1 ZINC000816495692 1131100011 /nfs/dbraw/zinc/10/00/11/1131100011.db2.gz GHFAGWUIOHJCRJ-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN C[C@H](NC(=O)c1ccc(Cl)c(O)c1)c1ccccc1 ZINC001135609237 1131101352 /nfs/dbraw/zinc/10/13/52/1131101352.db2.gz HXNJZQFVNLXNNZ-JTQLQIEISA-N 0 1 275.735 3.537 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(C)Cc1cnn(C)c1Cl ZINC000816515007 1131103960 /nfs/dbraw/zinc/10/39/60/1131103960.db2.gz MRLPLQLNKKZONB-HNNXBMFYSA-N 0 1 291.826 3.527 20 0 CHADMN COc1c(C)cccc1CN(C)Cc1cccc(C)c1 ZINC001237500322 1131106678 /nfs/dbraw/zinc/10/66/78/1131106678.db2.gz IYQWKPOXUKQOFG-UHFFFAOYSA-N 0 1 269.388 3.944 20 0 CHADMN C[C@@H]1CN(Cc2cccc3c(F)cccc23)C[C@H](C)O1 ZINC001237523002 1131108892 /nfs/dbraw/zinc/10/88/92/1131108892.db2.gz RFVROROMSYNASH-BETUJISGSA-N 0 1 273.351 3.588 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)nc(Cl)c1[O-] ZINC001237523919 1131110466 /nfs/dbraw/zinc/11/04/66/1131110466.db2.gz WOBUUFWACYPALQ-JTQLQIEISA-N 0 1 289.206 3.714 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]1Cc1cc(Cl)nc(Cl)c1[O-] ZINC001237523919 1131110469 /nfs/dbraw/zinc/11/04/69/1131110469.db2.gz WOBUUFWACYPALQ-JTQLQIEISA-N 0 1 289.206 3.714 20 0 CHADMN Cc1ncc(CN2CCC[C@@H](C)CC2)cc1Br ZINC001237556561 1131114987 /nfs/dbraw/zinc/11/49/87/1131114987.db2.gz UGINCHARGQLYMO-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN Cc1c(CN2CC[C@@H](O)[C@@H](F)C2)cccc1-c1ccccc1 ZINC001237581720 1131116007 /nfs/dbraw/zinc/11/60/07/1131116007.db2.gz RKUKUECHUBFIAH-RBUKOAKNSA-N 0 1 299.389 3.567 20 0 CHADMN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1cnn(C)c1Cl ZINC000816612259 1131116278 /nfs/dbraw/zinc/11/62/78/1131116278.db2.gz KNXPSRLWENXAIO-WCQYABFASA-N 0 1 283.847 3.720 20 0 CHADMN Cc1c(CN(C)C2(C)COC2)cccc1-c1ccccc1 ZINC001237582899 1131116465 /nfs/dbraw/zinc/11/64/65/1131116465.db2.gz IMNLXLSTMIJRHK-UHFFFAOYSA-N 0 1 281.399 3.883 20 0 CHADMN C[C@H]1CN(Cc2ccc(Oc3ccccc3)o2)[C@H]1C ZINC000816647766 1131120865 /nfs/dbraw/zinc/12/08/65/1131120865.db2.gz XZQBLRUHDMFORI-STQMWFEESA-N 0 1 257.333 3.912 20 0 CHADMN CCCC[C@H](C(=O)OC)N1CCC(C)(CC(C)C)CC1 ZINC001170837138 1131121618 /nfs/dbraw/zinc/12/16/18/1131121618.db2.gz VVTJGKVZGLDZTM-OAHLLOKOSA-N 0 1 283.456 3.866 20 0 CHADMN Cc1coc(CN2CCC3(CCCc4ccccc43)CC2)n1 ZINC001237639825 1131123694 /nfs/dbraw/zinc/12/36/94/1131123694.db2.gz VBMBGCLVOBUIDA-UHFFFAOYSA-N 0 1 296.414 3.853 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2ccc(Cl)c(Cl)c2)[nH]1 ZINC001135679882 1131124358 /nfs/dbraw/zinc/12/43/58/1131124358.db2.gz SJBJZTIVRAXATC-UHFFFAOYSA-N 0 1 284.146 3.586 20 0 CHADMN Cc1nc2ccc(-c3ccccc3)cn2c1CN1CC(C)C1 ZINC001237658087 1131125285 /nfs/dbraw/zinc/12/52/85/1131125285.db2.gz ZZWARAMWNJPNON-UHFFFAOYSA-N 0 1 291.398 3.761 20 0 CHADMN CC(=CC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1)C(C)(C)C ZINC000816752308 1131125311 /nfs/dbraw/zinc/12/53/11/1131125311.db2.gz YROCMCNRTPRBIG-ZHACJKMWSA-N 0 1 299.374 3.713 20 0 CHADMN O=C1CCCN(Cc2ccc(-c3ccc(O)cc3)cc2)CC1 ZINC001237656837 1131125564 /nfs/dbraw/zinc/12/55/64/1131125564.db2.gz GSOTWZMOBHTROR-UHFFFAOYSA-N 0 1 295.382 3.614 20 0 CHADMN COc1cc(C)c(-c2ccc3cncn3c2)c(C)c1 ZINC001245679949 1131126271 /nfs/dbraw/zinc/12/62/71/1131126271.db2.gz PHXZUSTXDIJWCN-UHFFFAOYSA-N 0 1 252.317 3.627 20 0 CHADMN CCc1ccc(-c2n[nH]c(SCC3CCC3)n2)cc1 ZINC001116132645 1131130027 /nfs/dbraw/zinc/13/00/27/1131130027.db2.gz OCDPYGDVAYBIEX-UHFFFAOYSA-N 0 1 273.405 3.926 20 0 CHADMN Cc1cc(C)c(Cl)c(CN(C)C[C@@H]2CCCCO2)c1 ZINC001237703748 1131130663 /nfs/dbraw/zinc/13/06/63/1131130663.db2.gz FUKNIFWORPOWLI-HNNXBMFYSA-N 0 1 281.827 3.958 20 0 CHADMN CCCC[C@@H](C)[N@@H+](C)Cc1cc(C(=O)OC)oc1CC ZINC001170846347 1131132323 /nfs/dbraw/zinc/13/23/23/1131132323.db2.gz JVIFMGAQMSTIIU-GFCCVEGCSA-N 0 1 281.396 3.639 20 0 CHADMN COc1ccc(C)c(C[N@@H+](C)Cc2ccsc2)c1 ZINC001237711412 1131132661 /nfs/dbraw/zinc/13/26/61/1131132661.db2.gz QQKKASNZXDKWMW-UHFFFAOYSA-N 0 1 261.390 3.697 20 0 CHADMN COc1ccc(C)c(CN(C)Cc2ccsc2)c1 ZINC001237711412 1131132663 /nfs/dbraw/zinc/13/26/63/1131132663.db2.gz QQKKASNZXDKWMW-UHFFFAOYSA-N 0 1 261.390 3.697 20 0 CHADMN CCc1cc(CN2CCC(F)CC2)ccc1Cl ZINC001237735262 1131135546 /nfs/dbraw/zinc/13/55/46/1131135546.db2.gz CJXHZWPMNYQHEP-UHFFFAOYSA-N 0 1 255.764 3.836 20 0 CHADMN CCc1cc(CN2CCC(O)(CC)CC2)ccc1Cl ZINC001237739533 1131136090 /nfs/dbraw/zinc/13/60/90/1131136090.db2.gz FULLOVRVTNZILP-UHFFFAOYSA-N 0 1 281.827 3.639 20 0 CHADMN Cc1nnc(SCCC2C[C@H](C)C[C@@H](C)C2)[nH]1 ZINC001116248905 1131136854 /nfs/dbraw/zinc/13/68/54/1131136854.db2.gz YNAZUGGYFAQSLW-NXEZZACHSA-N 0 1 253.415 3.668 20 0 CHADMN CN(C)C1(C(=O)Nc2ccc(-c3ccccc3)cc2)CCC1 ZINC001116283485 1131138654 /nfs/dbraw/zinc/13/86/54/1131138654.db2.gz AQPOVYVKXAMVSO-UHFFFAOYSA-N 0 1 294.398 3.776 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cccc3c2OCC3)cn1 ZINC001237756019 1131139982 /nfs/dbraw/zinc/13/99/82/1131139982.db2.gz ZTFCYBMACAITQW-SFHVURJKSA-N 0 1 294.398 3.662 20 0 CHADMN Cc1nc(C[N@@H+](C)CCCc2ccccc2)ccc1F ZINC001237819002 1131144142 /nfs/dbraw/zinc/14/41/42/1131144142.db2.gz ZLMRRBRPHWQMTD-UHFFFAOYSA-N 0 1 272.367 3.594 20 0 CHADMN CCc1ncc(C[N@H+](CC)Cc2cccc(OC)c2)s1 ZINC001237828308 1131144503 /nfs/dbraw/zinc/14/45/03/1131144503.db2.gz KZJJBIWVRFJGKL-UHFFFAOYSA-N 0 1 290.432 3.736 20 0 CHADMN CCc1ncc(CN(CC)Cc2cccc(OC)c2)s1 ZINC001237828308 1131144506 /nfs/dbraw/zinc/14/45/06/1131144506.db2.gz KZJJBIWVRFJGKL-UHFFFAOYSA-N 0 1 290.432 3.736 20 0 CHADMN CCN(Cc1cccs1)Cc1ccc(F)c(OC)c1 ZINC001116437812 1131145438 /nfs/dbraw/zinc/14/54/38/1131145438.db2.gz UCRURMJZDZYYMY-UHFFFAOYSA-N 0 1 279.380 3.918 20 0 CHADMN COc1cccc(CN2CCCC[C@H]2C)c1Br ZINC001237862327 1131145810 /nfs/dbraw/zinc/14/58/10/1131145810.db2.gz JCPVRDQTPOTYHR-LLVKDONJSA-N 0 1 298.224 3.832 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CCC[C@H](C)CC1 ZINC001237879784 1131146580 /nfs/dbraw/zinc/14/65/80/1131146580.db2.gz VNLAWPPOTULONE-ZDUSSCGKSA-N 0 1 287.407 3.640 20 0 CHADMN Cc1cc(CNc2ccc(OCCC(C)C)cc2)n[nH]1 ZINC001116447861 1131146950 /nfs/dbraw/zinc/14/69/50/1131146950.db2.gz ZVFLDFGXCOCPRH-UHFFFAOYSA-N 0 1 273.380 3.755 20 0 CHADMN COc1ccoc1CN1CCC[C@H]1c1ccccc1 ZINC001237872385 1131147793 /nfs/dbraw/zinc/14/77/93/1131147793.db2.gz UOJAQHOOIJTXSV-AWEZNQCLSA-N 0 1 257.333 3.625 20 0 CHADMN F[C@H]1CCCN(Cc2ccccc2C2CCOCC2)C1 ZINC001237902175 1131150405 /nfs/dbraw/zinc/15/04/05/1131150405.db2.gz JWBABKGHTMQKFF-INIZCTEOSA-N 0 1 277.383 3.515 20 0 CHADMN Cc1c(C(=O)N(c2ccccc2)C(C)C)ccc2cncn21 ZINC001116502054 1131150818 /nfs/dbraw/zinc/15/08/18/1131150818.db2.gz LRMUATSRVLWDPG-UHFFFAOYSA-N 0 1 293.370 3.698 20 0 CHADMN CCCOc1cc(F)ccc1CN1CC[C@@H](OC)C[C@@H]1C ZINC001237913418 1131151897 /nfs/dbraw/zinc/15/18/97/1131151897.db2.gz IPQAEYSGTLPVPF-XJKSGUPXSA-N 0 1 295.398 3.614 20 0 CHADMN CCN(C(=O)c1ccc2cncn2c1C)c1ccccc1C ZINC001116509804 1131152266 /nfs/dbraw/zinc/15/22/66/1131152266.db2.gz CHSSJLUMTVNWKQ-UHFFFAOYSA-N 0 1 293.370 3.618 20 0 CHADMN CCN(C(=O)c1ccc2cncn2c1C)[C@H]1CCCC[C@H]1C ZINC001116538397 1131153189 /nfs/dbraw/zinc/15/31/89/1131153189.db2.gz LYOHIRNIJPCGKL-DYVFJYSZSA-N 0 1 299.418 3.684 20 0 CHADMN CC(C)[C@@H](C(=O)NOCC1CC1)c1cccc(Cl)c1 ZINC000817344779 1131155874 /nfs/dbraw/zinc/15/58/74/1131155874.db2.gz UFBHOBNRPKCDSL-CQSZACIVSA-N 0 1 281.783 3.537 20 0 CHADMN C[C@@H]1CCCCN1Cc1csc(-c2ccc(O)cc2)n1 ZINC001237978771 1131157774 /nfs/dbraw/zinc/15/77/74/1131157774.db2.gz ZQJYYKJERDMQPV-GFCCVEGCSA-N 0 1 288.416 3.890 20 0 CHADMN Cc1c(Cl)c(CNC2CCCCCCC2)nn1C ZINC000817406156 1131158114 /nfs/dbraw/zinc/15/81/14/1131158114.db2.gz ORUVIVQNAXRRKE-UHFFFAOYSA-N 0 1 269.820 3.584 20 0 CHADMN C[C@H]1CCN(Cc2n[nH]c3cc(Cl)ccc32)CC1(F)F ZINC001237993329 1131158387 /nfs/dbraw/zinc/15/83/87/1131158387.db2.gz OBHGMVKMJUKURI-VIFPVBQESA-N 0 1 299.752 3.693 20 0 CHADMN Oc1c(F)cc(CN2CCc3ccccc3C2)cc1Cl ZINC001237990687 1131158394 /nfs/dbraw/zinc/15/83/94/1131158394.db2.gz PIXVXTAZFYAOQI-UHFFFAOYSA-N 0 1 291.753 3.743 20 0 CHADMN [O-]c1c(F)cc(C[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC001237990687 1131158396 /nfs/dbraw/zinc/15/83/96/1131158396.db2.gz PIXVXTAZFYAOQI-UHFFFAOYSA-N 0 1 291.753 3.743 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CCc3ccccc3C2)cc1Cl ZINC001237990687 1131158397 /nfs/dbraw/zinc/15/83/97/1131158397.db2.gz PIXVXTAZFYAOQI-UHFFFAOYSA-N 0 1 291.753 3.743 20 0 CHADMN C[C@H]1CCCC[N@@H+](Cc2cc(F)c([O-])c(Cl)c2)C1 ZINC001237984950 1131158403 /nfs/dbraw/zinc/15/84/03/1131158403.db2.gz SQNOCRGRXXCTKF-JTQLQIEISA-N 0 1 271.763 3.807 20 0 CHADMN C[N@@H+](Cc1ccc(F)cc1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237991035 1131158441 /nfs/dbraw/zinc/15/84/41/1131158441.db2.gz VEMICXMFMRFQGY-UHFFFAOYSA-N 0 1 297.732 3.956 20 0 CHADMN [O-]c1c(F)cc(C[N@@H+](CC2CC2)C2CC2)cc1Cl ZINC001237993558 1131159204 /nfs/dbraw/zinc/15/92/04/1131159204.db2.gz TXDCQTRNZYBFNC-UHFFFAOYSA-N 0 1 269.747 3.559 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1Cc1cc(F)c([O-])c(Cl)c1 ZINC001237996922 1131159918 /nfs/dbraw/zinc/15/99/18/1131159918.db2.gz JYVOXDCNKRXQDK-LLVKDONJSA-N 0 1 271.763 3.949 20 0 CHADMN CN(Cc1cnc(F)cc1Cl)CC1CCCCC1 ZINC001238028267 1131163457 /nfs/dbraw/zinc/16/34/57/1131163457.db2.gz SDWHWAITHXHOPE-UHFFFAOYSA-N 0 1 270.779 3.886 20 0 CHADMN COc1ccc(C(F)(F)F)c(CN2CCC[C@@H](C)C2)c1 ZINC001238053025 1131164596 /nfs/dbraw/zinc/16/45/96/1131164596.db2.gz XQYGXJXBGLVCMQ-LLVKDONJSA-N 0 1 287.325 3.946 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H](CCO)C2)cc(C)c1Cl ZINC001238098559 1131170299 /nfs/dbraw/zinc/17/02/99/1131170299.db2.gz ZFSQMIBZHNTPIV-AWEZNQCLSA-N 0 1 281.827 3.551 20 0 CHADMN CC(C)c1nc(CNCC(C)(C)C(F)(F)F)cs1 ZINC001116956115 1131171896 /nfs/dbraw/zinc/17/18/96/1131171896.db2.gz NUJDABGNJZWLQJ-UHFFFAOYSA-N 0 1 280.359 3.945 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3nc(Cl)ccc32)cc(C)n1 ZINC000817588128 1131173804 /nfs/dbraw/zinc/17/38/04/1131173804.db2.gz BUUSSXIKWOIDMN-CQSZACIVSA-N 0 1 287.794 3.524 20 0 CHADMN [O-]c1cc(F)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1Cl ZINC001238142588 1131174288 /nfs/dbraw/zinc/17/42/88/1131174288.db2.gz HGGQPOVRHQTNHJ-PHIMTYICSA-N 0 1 283.774 3.807 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001238135005 1131174594 /nfs/dbraw/zinc/17/45/94/1131174594.db2.gz CEKPSFIFKODTCA-LBPRGKRZSA-N 0 1 297.345 3.560 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c([O-])cc2F)[C@H]1C ZINC001238153146 1131176308 /nfs/dbraw/zinc/17/63/08/1131176308.db2.gz XNJJMIGRZYSQGL-ZJUUUORDSA-N 0 1 271.763 3.805 20 0 CHADMN F[C@@H]1CCN(Cc2cncc(C3CC3)c2)CCC1(F)F ZINC001238188308 1131178222 /nfs/dbraw/zinc/17/82/22/1131178222.db2.gz UNKGVVUXCVCJFC-CQSZACIVSA-N 0 1 284.325 3.528 20 0 CHADMN c1ncc(C2CC2)cc1CN1C2CCCC1CCC2 ZINC001238194601 1131179128 /nfs/dbraw/zinc/17/91/28/1131179128.db2.gz NVJIQUHKSBKITD-UHFFFAOYSA-N 0 1 256.393 3.866 20 0 CHADMN Cc1cc(CN2CC[C@H]3OCCC[C@H]3C2)c(F)cc1Cl ZINC001238298209 1131188030 /nfs/dbraw/zinc/18/80/30/1131188030.db2.gz FSLPRXNJCNUPAP-BLLLJJGKSA-N 0 1 297.801 3.788 20 0 CHADMN Cc1cc(CN2CCC3(C2)CCOCC3)c(F)cc1Cl ZINC001238302035 1131188855 /nfs/dbraw/zinc/18/88/55/1131188855.db2.gz BDCONPIVBIQQIK-UHFFFAOYSA-N 0 1 297.801 3.790 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001238324279 1131191250 /nfs/dbraw/zinc/19/12/50/1131191250.db2.gz UNSRXXNTVYWCMN-YDHLFZDLSA-N 0 1 281.346 3.545 20 0 CHADMN COc1cc(CN2CCCCCCC2)c(Cl)cn1 ZINC001238361755 1131193241 /nfs/dbraw/zinc/19/32/41/1131193241.db2.gz YSUIVRGOIUPSQY-UHFFFAOYSA-N 0 1 268.788 3.510 20 0 CHADMN Cc1ccc(-c2nc3nc[nH]c3c(C)n2)c(C)c1Cl ZINC001245824440 1131194685 /nfs/dbraw/zinc/19/46/85/1131194685.db2.gz LEEHQHCRDIHVQP-UHFFFAOYSA-N 0 1 272.739 3.550 20 0 CHADMN FC(F)(F)CC1CCN(Cc2cccn2C2CC2)CC1 ZINC001117744397 1131195011 /nfs/dbraw/zinc/19/50/11/1131195011.db2.gz HOVDDQKBRTYMSA-UHFFFAOYSA-N 0 1 286.341 3.987 20 0 CHADMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1cccn1C1CC1 ZINC001117744344 1131195039 /nfs/dbraw/zinc/19/50/39/1131195039.db2.gz FPVMJFZKUQTWLV-VXGBXAGGSA-N 0 1 286.341 3.986 20 0 CHADMN CC(C)Oc1cccc(CN2CCC(C)CC2)c1F ZINC001238422561 1131197503 /nfs/dbraw/zinc/19/75/03/1131197503.db2.gz POXJORQWVPSZJU-UHFFFAOYSA-N 0 1 265.372 3.845 20 0 CHADMN CCO[C@H]1CCCN(Cc2cccc(OC(C)C)c2F)C1 ZINC001238426344 1131199334 /nfs/dbraw/zinc/19/93/34/1131199334.db2.gz FXATYGLYQZLTOF-HNNXBMFYSA-N 0 1 295.398 3.614 20 0 CHADMN c1cc(CN2CCC[C@H]2c2ccccn2)n(C2CC2)c1 ZINC001117783266 1131199317 /nfs/dbraw/zinc/19/93/17/1131199317.db2.gz FOIARIKWNZDTNQ-KRWDZBQOSA-N 0 1 267.376 3.555 20 0 CHADMN Cc1cnc(CN(C)Cc2ccc(C)c(C)c2)c(C)c1 ZINC001238436244 1131200721 /nfs/dbraw/zinc/20/07/21/1131200721.db2.gz SUMAOAAMYMUGLN-UHFFFAOYSA-N 0 1 268.404 3.947 20 0 CHADMN CC(C)Oc1cc(CN2CCC[C@H](CF)C2)ccc1F ZINC001238461435 1131203573 /nfs/dbraw/zinc/20/35/73/1131203573.db2.gz WGXUBZDAGVIEDP-CQSZACIVSA-N 0 1 283.362 3.794 20 0 CHADMN CC(C)(O)c1ccc(CN[C@@H]2C[C@]2(F)c2ccccc2)cc1 ZINC000818231557 1131205246 /nfs/dbraw/zinc/20/52/46/1131205246.db2.gz YBTGWPSMAMKCCT-MJGOQNOKSA-N 0 1 299.389 3.641 20 0 CHADMN COc1c(CN2CCC[C@](C)(F)CC2)ccc(F)c1F ZINC001238466791 1131205433 /nfs/dbraw/zinc/20/54/33/1131205433.db2.gz LQWBZZZJQOKQLK-HNNXBMFYSA-N 0 1 287.325 3.688 20 0 CHADMN Cc1ccc(OC(C)C)cc1CN1C[C@H](F)C[C@H]1C ZINC001238478236 1131205527 /nfs/dbraw/zinc/20/55/27/1131205527.db2.gz VUHFMQYPVVUBIZ-UKRRQHHQSA-N 0 1 265.372 3.715 20 0 CHADMN Cc1cc(CN(C(C)C)[C@H](C)c2ccsc2)[nH]n1 ZINC001118055374 1131208575 /nfs/dbraw/zinc/20/85/75/1131208575.db2.gz NOQWGWZUFOWAOI-GFCCVEGCSA-N 0 1 263.410 3.751 20 0 CHADMN Fc1ccc(CN2CC[C@@H]3CCCO[C@H]3C2)cc1C1CC1 ZINC001238497479 1131208697 /nfs/dbraw/zinc/20/86/97/1131208697.db2.gz DPZFMJOPOVJFLF-YJBOKZPZSA-N 0 1 289.394 3.704 20 0 CHADMN Cc1c(Cl)ccc(CN2CCCC[C@@](C)(O)C2)c1F ZINC001238512281 1131210667 /nfs/dbraw/zinc/21/06/67/1131210667.db2.gz MBSHTKKDABVENU-OAHLLOKOSA-N 0 1 285.790 3.524 20 0 CHADMN Cc1c(Cl)ccc(CN2CC[C@H]3OCCC[C@H]3C2)c1F ZINC001238511080 1131211235 /nfs/dbraw/zinc/21/12/35/1131211235.db2.gz CJODJTJPNOPDRT-SWLSCSKDSA-N 0 1 297.801 3.788 20 0 CHADMN Cc1c(Cl)ccc(CN2CCC3(CCCO3)CC2)c1F ZINC001238515490 1131212075 /nfs/dbraw/zinc/21/20/75/1131212075.db2.gz GOYTZCPIUFEBSF-UHFFFAOYSA-N 0 1 297.801 3.933 20 0 CHADMN CC(C)Oc1c(F)ccc(CN(C)CCC2CC2)c1F ZINC001238527973 1131213939 /nfs/dbraw/zinc/21/39/39/1131213939.db2.gz ATPFYBOZJIRJAK-UHFFFAOYSA-N 0 1 283.362 3.984 20 0 CHADMN Fc1cc(Cl)ccc1CN1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001137656805 1131220060 /nfs/dbraw/zinc/22/00/60/1131220060.db2.gz YNHVOWUETTVFCC-SKDRFNHKSA-N 0 1 289.728 3.956 20 0 CHADMN Cc1cc(CN2CC(C)(C)OC(C)(C)C2)cnc1C1CC1 ZINC001238620761 1131224610 /nfs/dbraw/zinc/22/46/10/1131224610.db2.gz CALBINBXOVYGFO-UHFFFAOYSA-N 0 1 288.435 3.657 20 0 CHADMN CCOc1cc(F)c(F)cc1CN1CC[C@@H](CC)C1 ZINC001238655608 1131226220 /nfs/dbraw/zinc/22/62/20/1131226220.db2.gz JEMGPPKVSJQRJD-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN CCOc1cc(F)c(F)cc1CN1CCC[C@@H]1CC ZINC001238652282 1131226427 /nfs/dbraw/zinc/22/64/27/1131226427.db2.gz DTFVMOKKXNJSIY-LBPRGKRZSA-N 0 1 269.335 3.738 20 0 CHADMN C[C@@H](CN1CCc2cc(Cl)nnc2C1)C1CCCCC1 ZINC000829176270 1131414086 /nfs/dbraw/zinc/41/40/86/1131414086.db2.gz RRXIFHTXVOHBMC-LBPRGKRZSA-N 0 1 293.842 3.705 20 0 CHADMN CC/C(C)=C\C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000823267258 1131419491 /nfs/dbraw/zinc/41/94/91/1131419491.db2.gz SBJRCXGOHZGWFL-UJICNMFASA-N 0 1 291.782 3.750 20 0 CHADMN CC(F)(F)c1ccc(-c2noc([C@H]3CCCCN3)n2)cc1 ZINC000823231474 1131419798 /nfs/dbraw/zinc/41/97/98/1131419798.db2.gz WLNXBKPDASDKOO-GFCCVEGCSA-N 0 1 293.317 3.663 20 0 CHADMN Cc1ccc2nc(Cl)c(CN3C[C@@H]4C[C@@H]4C3)cc2c1 ZINC001137918600 1131435409 /nfs/dbraw/zinc/43/54/09/1131435409.db2.gz IXGABVUSZVYJFL-BETUJISGSA-N 0 1 272.779 3.648 20 0 CHADMN Cc1ccc(CN2C[C@@H](C)CC23CC3)c(F)c1F ZINC001137971448 1131444816 /nfs/dbraw/zinc/44/48/16/1131444816.db2.gz TWGYGYFMVBQONL-JTQLQIEISA-N 0 1 251.320 3.648 20 0 CHADMN Clc1nc2ccccc2cc1CN1CCC[C@H]2C[C@H]21 ZINC001137978618 1131446512 /nfs/dbraw/zinc/44/65/12/1131446512.db2.gz MIIIBTQLBVEXCN-SWLSCSKDSA-N 0 1 272.779 3.873 20 0 CHADMN Fc1ccc(F)c(CN2C[C@H]3CCC[C@@H]3C2)c1Cl ZINC001137999448 1131448831 /nfs/dbraw/zinc/44/88/31/1131448831.db2.gz IINSIHXXWRQVRZ-NXEZZACHSA-N 0 1 271.738 3.850 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@@H]2C(C)(C)O)c1Cl ZINC001138029209 1131454518 /nfs/dbraw/zinc/45/45/18/1131454518.db2.gz KGFYQRXSHPTYTP-CYBMUJFWSA-N 0 1 285.790 3.523 20 0 CHADMN Clc1cccc2c1CC[C@H](N1Cc3ccncc3C1)C2 ZINC001171050917 1131459558 /nfs/dbraw/zinc/45/95/58/1131459558.db2.gz UCDRXPVIUCALSK-HNNXBMFYSA-N 0 1 284.790 3.608 20 0 CHADMN C[C@]1(F)CCN(Cc2ccc(O)c3ccccc23)C[C@H]1F ZINC001138054662 1131459711 /nfs/dbraw/zinc/45/97/11/1131459711.db2.gz OFHHPUHBBYBESH-SJORKVTESA-N 0 1 291.341 3.817 20 0 CHADMN C[C@]1(O)CCCCN(Cc2cc3c(cccc3Cl)[nH]2)C1 ZINC001136856296 1131461312 /nfs/dbraw/zinc/46/13/12/1131461312.db2.gz FTMNAXJRQAPMFJ-INIZCTEOSA-N 0 1 292.810 3.558 20 0 CHADMN Cc1ccccc1C[C@H](C)N(C)Cc1cc(F)ncc1F ZINC000824296474 1131461762 /nfs/dbraw/zinc/46/17/62/1131461762.db2.gz FCOGCXBYFUFAEO-ZDUSSCGKSA-N 0 1 290.357 3.731 20 0 CHADMN Clc1cccc2[nH]c(CN3CC[C@]4(CCCO4)C3)cc21 ZINC001136858261 1131463782 /nfs/dbraw/zinc/46/37/82/1131463782.db2.gz OTLFUKQAAPPQTB-MRXNPFEDSA-N 0 1 290.794 3.576 20 0 CHADMN CC(C)C[C@@]1(C)CCCN1Cc1nnc(C(C)(C)C)o1 ZINC000830798657 1131468884 /nfs/dbraw/zinc/46/88/84/1131468884.db2.gz IFXBVJDLJLDLGZ-MRXNPFEDSA-N 0 1 279.428 3.768 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1cc2c(cc1Cl)OCO2 ZINC001138238573 1131480507 /nfs/dbraw/zinc/48/05/07/1131480507.db2.gz ZYKHJOADQOVLIT-GHMZBOCLSA-N 0 1 281.783 3.832 20 0 CHADMN C[C@@H]1CCN(Cc2cc3c(cc2Cl)OCO3)[C@H](C)C1 ZINC001138244983 1131481738 /nfs/dbraw/zinc/48/17/38/1131481738.db2.gz OSCXDBZCXQXVNY-GHMZBOCLSA-N 0 1 281.783 3.689 20 0 CHADMN CC1(C)CCN1Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000824823861 1131487574 /nfs/dbraw/zinc/48/75/74/1131487574.db2.gz FEZVNDNCNSLEOA-UHFFFAOYSA-N 0 1 286.350 3.997 20 0 CHADMN Cc1cccn2c(CN(C)Cc3ccc(C)c(C)c3)cnc12 ZINC001136965969 1131490505 /nfs/dbraw/zinc/49/05/05/1131490505.db2.gz HPHAJLRDOQUOHC-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN Cc1ccc2c(CN(C)Cc3ccc(C)nc3)c[nH]c2c1 ZINC001136975244 1131490918 /nfs/dbraw/zinc/49/09/18/1131490918.db2.gz BWKDDDIRQNFBKO-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN COc1c(F)ccc(CN2CCC[C@@](C)(F)CC2)c1F ZINC001143321174 1131493138 /nfs/dbraw/zinc/49/31/38/1131493138.db2.gz WFPBFXZQEGLXJN-OAHLLOKOSA-N 0 1 287.325 3.688 20 0 CHADMN Cc1ccc2c(CN3CCC[C@H]3c3cnccn3)c[nH]c2c1 ZINC001136972923 1131493505 /nfs/dbraw/zinc/49/35/05/1131493505.db2.gz FLSGKZOPTPFKOV-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN Fc1cccc2[nH]cc(CN3CCc4sccc4C3)c21 ZINC001136979722 1131494832 /nfs/dbraw/zinc/49/48/32/1131494832.db2.gz PEVAABOHCLJLPS-UHFFFAOYSA-N 0 1 286.375 3.927 20 0 CHADMN CCc1nc(CN[C@H](C)Cc2ccccc2SC)co1 ZINC000825058228 1131496993 /nfs/dbraw/zinc/49/69/93/1131496993.db2.gz VABUQZSKCNKHEE-GFCCVEGCSA-N 0 1 290.432 3.680 20 0 CHADMN Cc1c2ccccc2[nH]c1CN(C)C1CC(F)(F)C1 ZINC001138396885 1131498251 /nfs/dbraw/zinc/49/82/51/1131498251.db2.gz HYRWVKHZELYXJW-UHFFFAOYSA-N 0 1 264.319 3.706 20 0 CHADMN Cc1cc(CN2CCC[C@@]3(CCSC3)C2)cnc1Cl ZINC000825215592 1131501980 /nfs/dbraw/zinc/50/19/80/1131501980.db2.gz SBNKZTSBJMBMQR-OAHLLOKOSA-N 0 1 296.867 3.763 20 0 CHADMN COc1ncc(CN2CCC[C@H]2c2cccs2)cc1C ZINC001137004975 1131502414 /nfs/dbraw/zinc/50/24/14/1131502414.db2.gz UWSPMMIUTQPHFY-AWEZNQCLSA-N 0 1 288.416 3.797 20 0 CHADMN COc1c(F)cc(CN2CCC[C@H](C)CC2)cc1F ZINC001138421362 1131502540 /nfs/dbraw/zinc/50/25/40/1131502540.db2.gz LYPLWAQCHRULOI-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN COc1ncc(CN(C)C/C=C/c2ccccc2)cc1C ZINC001137008398 1131503792 /nfs/dbraw/zinc/50/37/92/1131503792.db2.gz VXVLKNQRGNEWQZ-JXMROGBWSA-N 0 1 282.387 3.544 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN2CCCC[C@H](F)C2)cc1 ZINC001138446010 1131507330 /nfs/dbraw/zinc/50/73/30/1131507330.db2.gz BODKNEUINQUWHS-INIZCTEOSA-N 0 1 287.382 3.709 20 0 CHADMN CC(C)[C@@H]1N(Cc2cnc([C@H](C)O)s2)CC12CCCC2 ZINC000825339083 1131507424 /nfs/dbraw/zinc/50/74/24/1131507424.db2.gz ZYYXVKWJFHMFQE-JSGCOSHPSA-N 0 1 294.464 3.597 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1cc(C)ccc1OC)C2 ZINC001138485419 1131511793 /nfs/dbraw/zinc/51/17/93/1131511793.db2.gz RRVPZSNLWLQQRL-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN COc1ccc(-c2ccc(CN3CCO[C@H](C)C3)cc2)cc1 ZINC001138515318 1131515140 /nfs/dbraw/zinc/51/51/40/1131515140.db2.gz OKYAENGSKLOLKJ-OAHLLOKOSA-N 0 1 297.398 3.583 20 0 CHADMN CC1(C)CN(Cc2cnc(-c3ccccc3)s2)C1 ZINC001138529144 1131517934 /nfs/dbraw/zinc/51/79/34/1131517934.db2.gz ORCUTYROOKAGJG-UHFFFAOYSA-N 0 1 258.390 3.652 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)/C=C\C3CCCC3)ccc12 ZINC000843844903 1131519150 /nfs/dbraw/zinc/51/91/50/1131519150.db2.gz AGWIEBPZKSNXGP-TWGQIWQCSA-N 0 1 269.348 3.556 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C=CC3CCCC3)c2C)o1 ZINC000843905688 1131522830 /nfs/dbraw/zinc/52/28/30/1131522830.db2.gz ARASEWZFPCFBQB-NTMALXAHSA-N 0 1 299.374 3.971 20 0 CHADMN COc1ccc2c(CN3CCc4sccc4C3)c[nH]c2c1 ZINC001138585695 1131523017 /nfs/dbraw/zinc/52/30/17/1131523017.db2.gz UQYVGJKIEKSETM-UHFFFAOYSA-N 0 1 298.411 3.796 20 0 CHADMN CCN(Cc1ccccn1)Cc1ccccc1N1CCCC1 ZINC001138611387 1131526566 /nfs/dbraw/zinc/52/65/66/1131526566.db2.gz MZUAEBDOXBDQFN-UHFFFAOYSA-N 0 1 295.430 3.704 20 0 CHADMN Cc1c(F)cc(F)cc1C[N@H+]1CCC2(CCC2)C1 ZINC001143767867 1131530473 /nfs/dbraw/zinc/53/04/73/1131530473.db2.gz PKFSWPSVLLFXML-UHFFFAOYSA-N 0 1 251.320 3.649 20 0 CHADMN Cc1c(F)cc(F)cc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001143767954 1131530754 /nfs/dbraw/zinc/53/07/54/1131530754.db2.gz SOYSLKQIAOCDGM-PHIMTYICSA-N 0 1 253.336 3.751 20 0 CHADMN CCCn1ncc(CN2Cc3ccccc3C[C@H]2C)c1C ZINC001138640488 1131532111 /nfs/dbraw/zinc/53/21/11/1131532111.db2.gz SRQITMNJXSVJHG-CQSZACIVSA-N 0 1 283.419 3.548 20 0 CHADMN CN(CCc1ccccn1)Cc1c(Cl)[nH]c2ccccc21 ZINC001138683995 1131537307 /nfs/dbraw/zinc/53/73/07/1131537307.db2.gz BTYFYUOKOSEEQM-UHFFFAOYSA-N 0 1 299.805 3.891 20 0 CHADMN CN(C)Cc1ccc(-c2ccc3c(c2)CC[C@H]3O)cc1F ZINC000844230422 1131540499 /nfs/dbraw/zinc/54/04/99/1131540499.db2.gz XXZLHDOWDIXIEE-GOSISDBHSA-N 0 1 285.362 3.534 20 0 CHADMN COCCN(Cc1c(C)cccc1Cl)C(C)C ZINC001138720608 1131541542 /nfs/dbraw/zinc/54/15/42/1131541542.db2.gz YHGRMAIQRPVKEW-UHFFFAOYSA-N 0 1 255.789 3.505 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cnc3[nH]ccc3c2)cn1 ZINC001138737115 1131543905 /nfs/dbraw/zinc/54/39/05/1131543905.db2.gz CNKHPDIYRMHMOG-QGZVFWFLSA-N 0 1 292.386 3.603 20 0 CHADMN COc1cc(Cl)cc(CN2CCCC[C@H]2C)c1OC ZINC001138744140 1131544903 /nfs/dbraw/zinc/54/49/03/1131544903.db2.gz MAPBAHCVVWLBQB-LLVKDONJSA-N 0 1 283.799 3.732 20 0 CHADMN CC[C@H]1CCCN1Cc1c(Cl)ccc(OC)c1F ZINC001143898409 1131549560 /nfs/dbraw/zinc/54/95/60/1131549560.db2.gz QLQICDGMNQRFEO-JTQLQIEISA-N 0 1 271.763 3.862 20 0 CHADMN CCCCCN(C)Cc1ccc(OC)c(F)c1F ZINC001143902457 1131550089 /nfs/dbraw/zinc/55/00/89/1131550089.db2.gz DRCAXORRNBVBGS-UHFFFAOYSA-N 0 1 257.324 3.595 20 0 CHADMN Fc1ncccc1CN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001138793874 1131550178 /nfs/dbraw/zinc/55/01/78/1131550178.db2.gz NSURAIVZMVPTAD-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1ccnc(Cl)c1 ZINC001138820607 1131552948 /nfs/dbraw/zinc/55/29/48/1131552948.db2.gz IQEXYZPSCOLABX-VMPITWQZSA-N 0 1 272.779 3.880 20 0 CHADMN COC(C)(C)[C@@H]1CCCN1Cc1csc(C(C)C)n1 ZINC001138887164 1131557583 /nfs/dbraw/zinc/55/75/83/1131557583.db2.gz RJAINHGNESHXHH-ZDUSSCGKSA-N 0 1 282.453 3.656 20 0 CHADMN COc1ccc(F)c(CN2CCCC[C@@H](C)C2)c1F ZINC001143970043 1131560639 /nfs/dbraw/zinc/56/06/39/1131560639.db2.gz FQSGYNXCXRMZDA-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN COc1ccc(F)c(CN(C)C2CCCCC2)c1F ZINC001143971809 1131563006 /nfs/dbraw/zinc/56/30/06/1131563006.db2.gz WSOABUKTIDFSJJ-UHFFFAOYSA-N 0 1 269.335 3.738 20 0 CHADMN Fc1ccc(CN2CCC[C@@]3(CC3(F)F)C2)cc1F ZINC000844438292 1131564180 /nfs/dbraw/zinc/56/41/80/1131564180.db2.gz WYYYZUIKRNGLQW-CYBMUJFWSA-N 0 1 273.273 3.586 20 0 CHADMN COC[C@@H]1CCN(Cc2cc(Cl)ccc2OC(C)C)C1 ZINC001138958528 1131564922 /nfs/dbraw/zinc/56/49/22/1131564922.db2.gz JVQGLLDRMIFQPK-CYBMUJFWSA-N 0 1 297.826 3.596 20 0 CHADMN CC(C)COc1ccc(CN2CCOC[C@H]2C(C)C)cc1 ZINC001138970778 1131567970 /nfs/dbraw/zinc/56/79/70/1131567970.db2.gz WYVYPQNQJCDYNW-SFHVURJKSA-N 0 1 291.435 3.578 20 0 CHADMN CCOc1ccc(Cl)cc1CN1C2CCC1CC2 ZINC001139009716 1131571413 /nfs/dbraw/zinc/57/14/13/1131571413.db2.gz QSXYUHLLENRTJN-UHFFFAOYSA-N 0 1 265.784 3.866 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CCC2(CC2)C1 ZINC001139007498 1131571427 /nfs/dbraw/zinc/57/14/27/1131571427.db2.gz JJTYKICASWPAJN-UHFFFAOYSA-N 0 1 265.784 3.725 20 0 CHADMN Clc1ccc2c(c1)CC[C@H](N1CCc3ccncc3C1)C2 ZINC001171130120 1131575632 /nfs/dbraw/zinc/57/56/32/1131575632.db2.gz QCEBQVXTXFNOFK-SFHVURJKSA-N 0 1 298.817 3.651 20 0 CHADMN CN(Cc1nccs1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171136803 1131581368 /nfs/dbraw/zinc/58/13/68/1131581368.db2.gz WKRNVWMQNQXDOV-AWEZNQCLSA-N 0 1 292.835 3.786 20 0 CHADMN COc1ccc(CN2CC[C@H](C)C[C@@H]2C)c(Cl)c1OC ZINC001139118278 1131582230 /nfs/dbraw/zinc/58/22/30/1131582230.db2.gz ROROWUKGLOKABM-RYUDHWBXSA-N 0 1 297.826 3.978 20 0 CHADMN Cc1n[nH]c(C)c1CN1CCCC[C@H]1c1ccccc1F ZINC001139099382 1131582390 /nfs/dbraw/zinc/58/23/90/1131582390.db2.gz YNKVERWWNOUMJQ-KRWDZBQOSA-N 0 1 287.382 3.893 20 0 CHADMN Clc1cc2c(cc1Cl)C[C@H](NCc1ccon1)CC2 ZINC001171139948 1131585980 /nfs/dbraw/zinc/58/59/80/1131585980.db2.gz UIVAMTBRFKETJJ-LLVKDONJSA-N 0 1 297.185 3.629 20 0 CHADMN Cn1ccc2c1cccc2CN1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001139157947 1131587772 /nfs/dbraw/zinc/58/77/72/1131587772.db2.gz UROKJCQWFVUDFP-SJLPKXTDSA-N 0 1 296.414 3.512 20 0 CHADMN CN(CCc1ccncc1)Cc1cc(Cl)c(F)cc1F ZINC001144130992 1131591010 /nfs/dbraw/zinc/59/10/10/1131591010.db2.gz SMGVKWDRFLFFJQ-UHFFFAOYSA-N 0 1 296.748 3.688 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3cccnc3c2)cn1 ZINC001139169526 1131591170 /nfs/dbraw/zinc/59/11/70/1131591170.db2.gz AGLQCSSCVYOVCG-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Fc1cccc2c1CC[N@@H+](Cc1ccc3cccnc3c1)C2 ZINC001139171515 1131591275 /nfs/dbraw/zinc/59/12/75/1131591275.db2.gz XALCYHITXKPLGQ-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN Fc1cccc2c1CCN(Cc1ccc3cccnc3c1)C2 ZINC001139171515 1131591277 /nfs/dbraw/zinc/59/12/77/1131591277.db2.gz XALCYHITXKPLGQ-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN C[C@@H]1CCN1Cc1cc2cc(Br)ccc2[nH]1 ZINC001139182609 1131592239 /nfs/dbraw/zinc/59/22/39/1131592239.db2.gz VRYIUXYVZJZJOD-SECBINFHSA-N 0 1 279.181 3.525 20 0 CHADMN Cn1ccc2cc(CN3CCc4cc(F)ccc4C3)ccc21 ZINC001139193145 1131593544 /nfs/dbraw/zinc/59/35/44/1131593544.db2.gz YXEISAUBFSVDHK-UHFFFAOYSA-N 0 1 294.373 3.876 20 0 CHADMN Cc1ncccc1CN(C)Cc1ccc2c(ccn2C)c1 ZINC001139192951 1131594113 /nfs/dbraw/zinc/59/41/13/1131594113.db2.gz SHPSTLCZEFNGEN-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN Cn1ccc2ccc(CN3Cc4ccccc4C3)cc21 ZINC001139204936 1131596669 /nfs/dbraw/zinc/59/66/69/1131596669.db2.gz SHTFGMRSRUIGRV-UHFFFAOYSA-N 0 1 262.356 3.694 20 0 CHADMN c1cc2ccc(CN3CC[C@@H]3c3ccccc3)nc2[nH]1 ZINC001144186348 1131597137 /nfs/dbraw/zinc/59/71/37/1131597137.db2.gz VDSOYFZRETVKTN-MRXNPFEDSA-N 0 1 263.344 3.510 20 0 CHADMN CSCCN(C)Cc1ccc(Oc2ccccc2)nc1 ZINC001139247813 1131599183 /nfs/dbraw/zinc/59/91/83/1131599183.db2.gz QXMRUAULVDOFMC-UHFFFAOYSA-N 0 1 288.416 3.669 20 0 CHADMN C[C@@H]1CCN(Cc2[nH]c(-c3ccccc3)nc2Cl)C1 ZINC001139280208 1131600685 /nfs/dbraw/zinc/60/06/85/1131600685.db2.gz XZLVRYPVMKCKCS-LLVKDONJSA-N 0 1 275.783 3.572 20 0 CHADMN Cc1cc(Br)cc(CN2CCC[C@@H]3C[C@@H]32)c1 ZINC001144222361 1131600795 /nfs/dbraw/zinc/60/07/95/1131600795.db2.gz SRIBLOHQINEOLA-OCCSQVGLSA-N 0 1 280.209 3.742 20 0 CHADMN CN(Cc1cc(Cl)cnc1Cl)C1CCCC1 ZINC001139355637 1131603013 /nfs/dbraw/zinc/60/30/13/1131603013.db2.gz WQJIIFHYDDOHLB-UHFFFAOYSA-N 0 1 259.180 3.763 20 0 CHADMN COc1cccc([C@H]2CCCCN2Cc2ccc(O)cn2)c1 ZINC001144258852 1131606447 /nfs/dbraw/zinc/60/64/47/1131606447.db2.gz FKAWOPXYXNMSKL-GOSISDBHSA-N 0 1 298.386 3.523 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(O)cn1)[C@@H](C)c1ccccc1 ZINC001144264003 1131607646 /nfs/dbraw/zinc/60/76/46/1131607646.db2.gz DCRRPSMROPDWFV-AWEZNQCLSA-N 0 1 270.376 3.759 20 0 CHADMN c1cc(-c2ccc(CN3CC4(CCC4)C3)cn2)cs1 ZINC001139501495 1131611524 /nfs/dbraw/zinc/61/15/24/1131611524.db2.gz TVFAYPYUFMZVPO-UHFFFAOYSA-N 0 1 270.401 3.796 20 0 CHADMN CC(=O)[C@@H]1CCCN(Cc2ccc(-c3ccccc3)nc2)C1 ZINC001139519276 1131612596 /nfs/dbraw/zinc/61/25/96/1131612596.db2.gz QKTNJMFAPYOCHP-GOSISDBHSA-N 0 1 294.398 3.550 20 0 CHADMN FC1(F)CCN(Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001139516116 1131612724 /nfs/dbraw/zinc/61/27/24/1131612724.db2.gz WBLBRDTWPHZCFI-UHFFFAOYSA-N 0 1 288.341 3.980 20 0 CHADMN Fc1c(Br)cccc1CN1C[C@H]2CCC[C@@H]2C1 ZINC001139531574 1131613297 /nfs/dbraw/zinc/61/32/97/1131613297.db2.gz IBYTUHXCKZRNKZ-GHMZBOCLSA-N 0 1 298.199 3.820 20 0 CHADMN CN(Cc1cc(Cl)ccn1)[C@H]1CCc2ccccc21 ZINC001139566989 1131616978 /nfs/dbraw/zinc/61/69/78/1131616978.db2.gz WPOHXAPXWSSNFG-INIZCTEOSA-N 0 1 272.779 3.854 20 0 CHADMN CCc1cccc(CN2CCC(=O)[C@H]3CCCC[C@@H]32)c1 ZINC001144318857 1131617286 /nfs/dbraw/zinc/61/72/86/1131617286.db2.gz MOCITPVIPBIANY-IRXDYDNUSA-N 0 1 271.404 3.583 20 0 CHADMN Cc1cnc(Cl)c(CN(C)CCc2ccccc2)c1 ZINC001139587809 1131618229 /nfs/dbraw/zinc/61/82/29/1131618229.db2.gz DWPQXAFDOANEHP-UHFFFAOYSA-N 0 1 274.795 3.718 20 0 CHADMN O=C(C=CC1CCCCCC1)NCc1nc2ccccc2[nH]1 ZINC000845108349 1131618916 /nfs/dbraw/zinc/61/89/16/1131618916.db2.gz SJTWPBJDUMMXRN-VAWYXSNFSA-N 0 1 297.402 3.706 20 0 CHADMN CCOc1ccc(CN2CCCOC(C)(C)C2)cc1Cl ZINC001139597439 1131619523 /nfs/dbraw/zinc/61/95/23/1131619523.db2.gz WFGHTMYSGVBYCB-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN CCOc1ccc(C)cc1CN1CC[C@H](C(F)(F)F)C1 ZINC001139604903 1131620945 /nfs/dbraw/zinc/62/09/45/1131620945.db2.gz PULROGAACBYMDD-ZDUSSCGKSA-N 0 1 287.325 3.778 20 0 CHADMN COc1cc(C[N@H+]2CCCC[C@@H]2C)ccc1Cl ZINC001139610835 1131621913 /nfs/dbraw/zinc/62/19/13/1131621913.db2.gz JPHYMXNXXLMELQ-NSHDSACASA-N 0 1 253.773 3.723 20 0 CHADMN COc1cc(CN2CCCC[C@@H]2C)ccc1Cl ZINC001139610835 1131621915 /nfs/dbraw/zinc/62/19/15/1131621915.db2.gz JPHYMXNXXLMELQ-NSHDSACASA-N 0 1 253.773 3.723 20 0 CHADMN COc1cc(CN2CC(c3ccccc3)C2)ccc1Cl ZINC001139614403 1131622499 /nfs/dbraw/zinc/62/24/99/1131622499.db2.gz FKOOWSRMNJCDLX-UHFFFAOYSA-N 0 1 287.790 3.948 20 0 CHADMN Oc1ccc(CN2CCC[C@@H](CF)C2)c(C(F)(F)F)c1 ZINC001144386305 1131623004 /nfs/dbraw/zinc/62/30/04/1131623004.db2.gz ZMALNEFDEROYKL-JTQLQIEISA-N 0 1 291.288 3.593 20 0 CHADMN CCOc1ccc(CN2C[C@@H](C)C[C@H]2CF)cc1CC ZINC001139619102 1131623352 /nfs/dbraw/zinc/62/33/52/1131623352.db2.gz WIQWBETUIAPEFT-BBRMVZONSA-N 0 1 279.399 3.828 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccccn2)cc1CC ZINC001139618704 1131623567 /nfs/dbraw/zinc/62/35/67/1131623567.db2.gz HNMCRAWJWPPJRM-UHFFFAOYSA-N 0 1 284.403 3.675 20 0 CHADMN c1cncc(-c2ccc(CN3CCOCC34CCC4)cc2)c1 ZINC001139648381 1131626656 /nfs/dbraw/zinc/62/66/56/1131626656.db2.gz TWIXIBDTTSGVTF-UHFFFAOYSA-N 0 1 294.398 3.504 20 0 CHADMN Cc1nc2cc(C)ccn2c1CN1CC(c2ccccc2)C1 ZINC001139677520 1131627788 /nfs/dbraw/zinc/62/77/88/1131627788.db2.gz MPLVPGQYUZQVDS-UHFFFAOYSA-N 0 1 291.398 3.551 20 0 CHADMN COc1ncc(Cl)cc1CN1CCC[C@H]2CCC[C@@H]21 ZINC001139749189 1131634672 /nfs/dbraw/zinc/63/46/72/1131634672.db2.gz OSKACIPZCQTTIX-RISCZKNCSA-N 0 1 280.799 3.508 20 0 CHADMN CN(Cc1ccccc1C(F)F)C1CC(F)(F)C1 ZINC001139795533 1131637056 /nfs/dbraw/zinc/63/70/56/1131637056.db2.gz INJAXVHBLUYCJK-UHFFFAOYSA-N 0 1 261.262 3.854 20 0 CHADMN Cc1cnc(CN2CCC3(CCc4ccccc43)CC2)s1 ZINC001139810119 1131637734 /nfs/dbraw/zinc/63/77/34/1131637734.db2.gz FHOUXVMUCIMIKN-UHFFFAOYSA-N 0 1 298.455 3.932 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1cnc(OC)s1 ZINC001139818297 1131638725 /nfs/dbraw/zinc/63/87/25/1131638725.db2.gz BGJZTKHMLWHJDM-AWEZNQCLSA-N 0 1 276.405 3.735 20 0 CHADMN CCCCC1CCN(Cc2ccnc(F)c2)CC1 ZINC001139836596 1131640179 /nfs/dbraw/zinc/64/01/79/1131640179.db2.gz OZIAVLASHXQAAE-UHFFFAOYSA-N 0 1 250.361 3.623 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2c2ccccc2F)nc1 ZINC001139838757 1131640569 /nfs/dbraw/zinc/64/05/69/1131640569.db2.gz QFJSBFZEORXEDY-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1CN1CCCC2(COC2)C1 ZINC001139888066 1131646146 /nfs/dbraw/zinc/64/61/46/1131646146.db2.gz JURMTVAFLBICSO-UHFFFAOYSA-N 0 1 299.336 3.626 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1CN1CC[C@@]2(CCCO2)C1 ZINC001139888497 1131646849 /nfs/dbraw/zinc/64/68/49/1131646849.db2.gz SJCBIMSWXKPGSB-HNNXBMFYSA-N 0 1 299.336 3.769 20 0 CHADMN CC(C)[C@H]1COCCN1Cc1ccc(F)c2ccccc12 ZINC001139892726 1131648469 /nfs/dbraw/zinc/64/84/69/1131648469.db2.gz UXNLZHZVTWDICF-GOSISDBHSA-N 0 1 287.378 3.836 20 0 CHADMN FC(F)(F)c1ncccc1CN1CCCCC12CC2 ZINC001144531106 1131652953 /nfs/dbraw/zinc/65/29/53/1131652953.db2.gz LATJLUOIMLKBTR-UHFFFAOYSA-N 0 1 270.298 3.619 20 0 CHADMN Clc1ncc(CN2CCC[C@H](c3ccccc3)C2)cn1 ZINC001139990351 1131655086 /nfs/dbraw/zinc/65/50/86/1131655086.db2.gz PEZJXZGGXJHHOS-HNNXBMFYSA-N 0 1 287.794 3.510 20 0 CHADMN [O-]c1cc(F)c(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c(F)c1 ZINC001144554875 1131656264 /nfs/dbraw/zinc/65/62/64/1131656264.db2.gz KMWLZUMLDMGYPV-MEDUHNTESA-N 0 1 281.346 3.825 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c(F)c1 ZINC001144554875 1131656265 /nfs/dbraw/zinc/65/62/65/1131656265.db2.gz KMWLZUMLDMGYPV-MEDUHNTESA-N 0 1 281.346 3.825 20 0 CHADMN [O-]c1cc(F)c(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c(F)c1 ZINC001144560932 1131658961 /nfs/dbraw/zinc/65/89/61/1131658961.db2.gz CMHHNBMZKVOOKO-VXGBXAGGSA-N 0 1 281.346 3.683 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c(F)c1 ZINC001144560932 1131658963 /nfs/dbraw/zinc/65/89/63/1131658963.db2.gz CMHHNBMZKVOOKO-VXGBXAGGSA-N 0 1 281.346 3.683 20 0 CHADMN CC[C@H](C)N(C)Cc1cnc(Br)cc1Cl ZINC001140076281 1131661382 /nfs/dbraw/zinc/66/13/82/1131661382.db2.gz SHZONMHLPNRSCJ-QMMMGPOBSA-N 0 1 291.620 3.728 20 0 CHADMN CN(CCc1ccc(Cl)cc1)Cc1ncn2ccccc12 ZINC001144624985 1131667135 /nfs/dbraw/zinc/66/71/35/1131667135.db2.gz YFFAXIOXZFNDCH-UHFFFAOYSA-N 0 1 299.805 3.662 20 0 CHADMN Cc1nc2c(s1)CN(Cc1cccc3cnccc31)CC2 ZINC001140143717 1131667984 /nfs/dbraw/zinc/66/79/84/1131667984.db2.gz RCFVVNGVRKVHSL-UHFFFAOYSA-N 0 1 295.411 3.558 20 0 CHADMN C[C@H]1CN(Cc2ccc(-c3ccncc3)cc2)CCCC1=O ZINC001140168631 1131671266 /nfs/dbraw/zinc/67/12/66/1131671266.db2.gz JBPKXNVLPDQNDC-HNNXBMFYSA-N 0 1 294.398 3.550 20 0 CHADMN Cc1cc(CN2CCC3(CC2)C(F)(F)C3(F)F)c(C)o1 ZINC000846016396 1131678105 /nfs/dbraw/zinc/67/81/05/1131678105.db2.gz VKBLOWBDCPQRBS-UHFFFAOYSA-N 0 1 291.288 3.763 20 0 CHADMN Cc1ccccc1C1(NCc2cnn(C)c2Cl)CCC1 ZINC000845995658 1131679199 /nfs/dbraw/zinc/67/91/99/1131679199.db2.gz YSRLHMPHNWLFAK-UHFFFAOYSA-N 0 1 289.810 3.551 20 0 CHADMN O=C([O-])c1ccsc1C[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001144680199 1131681657 /nfs/dbraw/zinc/68/16/57/1131681657.db2.gz MTAQZNQYXCLZNG-TXEJJXNPSA-N 0 1 299.395 3.533 20 0 CHADMN C[C@]1(CC[NH2+]Cc2cccc([O-])c2Cl)C[C@]1(F)Cl ZINC000846035988 1131681697 /nfs/dbraw/zinc/68/16/97/1131681697.db2.gz KRYODZMDDUPJRB-QWHCGFSZSA-N 0 1 292.181 3.840 20 0 CHADMN CN(Cc1sc(N2CCCCC2)nc1Cl)CC1CC1 ZINC001140288699 1131688193 /nfs/dbraw/zinc/68/81/93/1131688193.db2.gz SVJNBXDWJNZSHN-UHFFFAOYSA-N 0 1 299.871 3.629 20 0 CHADMN FC1(F)C[C@@]12CCN(Cc1cc(Cl)cs1)C2 ZINC000846117133 1131688407 /nfs/dbraw/zinc/68/84/07/1131688407.db2.gz NEOQZNTYLQRENJ-SNVBAGLBSA-N 0 1 263.740 3.633 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cccc3cc[nH]c31)C2 ZINC001144717494 1131689597 /nfs/dbraw/zinc/68/95/97/1131689597.db2.gz UBFLNMRRXQAFEJ-UHFFFAOYSA-N 0 1 278.355 3.692 20 0 CHADMN Fc1cc(Cl)c(CN2C[C@H]3CCC[C@@H]3C2)cc1F ZINC001144722377 1131694798 /nfs/dbraw/zinc/69/47/98/1131694798.db2.gz WNAJOSAPLGUTOY-NXEZZACHSA-N 0 1 271.738 3.850 20 0 CHADMN CC(C)[C@H]1CN(Cc2ccccc2-c2cccnc2)CCO1 ZINC001140318915 1131696387 /nfs/dbraw/zinc/69/63/87/1131696387.db2.gz PUJKVVZVWPJCCG-LJQANCHMSA-N 0 1 296.414 3.605 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCc4cc(F)ccc4C3)c2c1 ZINC001140333173 1131699702 /nfs/dbraw/zinc/69/97/02/1131699702.db2.gz FBHUIWDIRLYAPD-UHFFFAOYSA-N 0 1 295.361 3.569 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCC[C@@H](C)[C@@H]1C ZINC001144754016 1131702108 /nfs/dbraw/zinc/70/21/08/1131702108.db2.gz AOGLIPUQOMTZED-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C/C=C(\C)C(=O)[O-])o1 ZINC000846256687 1131704276 /nfs/dbraw/zinc/70/42/76/1131704276.db2.gz MCKWBPGZZXPUQV-JAXAELSRSA-N 0 1 291.391 3.646 20 0 CHADMN Cc1ccc(N(CC(C)C)C(=O)c2ncccc2O)c(C)c1 ZINC000846298690 1131705954 /nfs/dbraw/zinc/70/59/54/1131705954.db2.gz CGAXITXDFOYYIB-UHFFFAOYSA-N 0 1 298.386 3.707 20 0 CHADMN CCC[N@@H+](CC)Cc1sc(N2CCCC2)nc1Cl ZINC001140360631 1131706069 /nfs/dbraw/zinc/70/60/69/1131706069.db2.gz NFYIDQPHZFRVIA-UHFFFAOYSA-N 0 1 287.860 3.629 20 0 CHADMN CCCN(CC)Cc1sc(N2CCCC2)nc1Cl ZINC001140360631 1131706072 /nfs/dbraw/zinc/70/60/72/1131706072.db2.gz NFYIDQPHZFRVIA-UHFFFAOYSA-N 0 1 287.860 3.629 20 0 CHADMN CCc1nnc(CN[C@@H](CC)c2cccc3ccccc32)[nH]1 ZINC000834815100 1131707043 /nfs/dbraw/zinc/70/70/43/1131707043.db2.gz SXENMKOHPPXOLR-INIZCTEOSA-N 0 1 294.402 3.761 20 0 CHADMN CCN(Cc1ccc2n[nH]cc2c1)Cc1ccccc1F ZINC001140388325 1131712421 /nfs/dbraw/zinc/71/24/21/1131712421.db2.gz PYNSSJDDYVUWOK-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN CC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1ccc2c(c1)CCO2 ZINC000834895757 1131720625 /nfs/dbraw/zinc/72/06/25/1131720625.db2.gz DUXQHLTUDDWAKO-UHOFOFEASA-N 0 1 297.402 3.565 20 0 CHADMN CCCc1ncc(CN[C@@H]2CCc3cc(C)ccc32)o1 ZINC000834900237 1131725088 /nfs/dbraw/zinc/72/50/88/1131725088.db2.gz OIDFTADBTBJQCS-MRXNPFEDSA-N 0 1 270.376 3.713 20 0 CHADMN C[C@@H](NCCOCC1CCCC1)c1cccnc1Cl ZINC000834908227 1131729713 /nfs/dbraw/zinc/72/97/13/1131729713.db2.gz CKYOLAIMSVGZET-GFCCVEGCSA-N 0 1 282.815 3.592 20 0 CHADMN Fc1cc(CN2CCC[C@H]2C2CCC2)cnc1Cl ZINC000846795759 1131732404 /nfs/dbraw/zinc/73/24/04/1131732404.db2.gz ATJMEHRBVAGQJK-ZDUSSCGKSA-N 0 1 268.763 3.639 20 0 CHADMN C[C@@H]1CCCN(Cc2cnc3ccc(Cl)cn23)[C@@H]1C ZINC001140431205 1131732815 /nfs/dbraw/zinc/73/28/15/1131732815.db2.gz JMRCRQVXOVYQDC-VXGBXAGGSA-N 0 1 277.799 3.608 20 0 CHADMN CC[C@H](c1ccccc1)[C@H]1CCCN1Cc1cnsn1 ZINC000846788660 1131736267 /nfs/dbraw/zinc/73/62/67/1131736267.db2.gz FYLCGTPSTRYBSA-HZPDHXFCSA-N 0 1 287.432 3.696 20 0 CHADMN Cc1ccc(Cl)nc1CN1CCC[C@@](C)(F)CC1 ZINC001140441570 1131738435 /nfs/dbraw/zinc/73/84/35/1131738435.db2.gz LPZQBNYWLXJINT-CQSZACIVSA-N 0 1 270.779 3.758 20 0 CHADMN CC(C)(C)[C@H]1CCCN1Cc1cnc(Cl)c(F)c1 ZINC000846797958 1131741694 /nfs/dbraw/zinc/74/16/94/1131741694.db2.gz GDULGZWAHBEKJV-GFCCVEGCSA-N 0 1 270.779 3.885 20 0 CHADMN CCC[C@@H](Oc1[nH]c(=O)nc2cc[nH]c21)c1ccccc1 ZINC001227810778 1131745968 /nfs/dbraw/zinc/74/59/68/1131745968.db2.gz XWXGDTDZINSKHR-CYBMUJFWSA-N 0 1 283.331 3.584 20 0 CHADMN C[C@H](NCc1cnsn1)C1(c2ccccc2)CCCC1 ZINC000846860662 1131752760 /nfs/dbraw/zinc/75/27/60/1131752760.db2.gz LMBFJXUDZOSVPA-ZDUSSCGKSA-N 0 1 287.432 3.528 20 0 CHADMN O=C([O-])c1ccccc1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC001140503772 1131771380 /nfs/dbraw/zinc/77/13/80/1131771380.db2.gz LJYQARSKADMFCU-UHFFFAOYSA-N 0 1 293.366 3.674 20 0 CHADMN Cc1ccc(/C=C\CC(=O)NOc2ccc(F)cc2)cc1 ZINC001146552438 1131792249 /nfs/dbraw/zinc/79/22/49/1131792249.db2.gz SQLAKLGJPHMINY-IHWYPQMZSA-N 0 1 285.318 3.648 20 0 CHADMN Fc1cccc(CN2CCC3(CCCO3)CC2)c1Cl ZINC001140563221 1131794465 /nfs/dbraw/zinc/79/44/65/1131794465.db2.gz PRMUQQKWLQKNAO-UHFFFAOYSA-N 0 1 283.774 3.624 20 0 CHADMN Cc1ccc2c(c1)CC[N@H+](Cc1ccc(O)c(C)c1)C2 ZINC001140580051 1131806331 /nfs/dbraw/zinc/80/63/31/1131806331.db2.gz PTESQFXGIHUBQX-UHFFFAOYSA-N 0 1 267.372 3.567 20 0 CHADMN Cc1c2nc[nH]c2ccc1N[C@H]1COCc2ccccc21 ZINC001171294986 1131808028 /nfs/dbraw/zinc/80/80/28/1131808028.db2.gz QTQLKNBTJPKPLI-INIZCTEOSA-N 0 1 279.343 3.555 20 0 CHADMN Cc1ccc(F)cc1CN1CC[C@H]1COCc1ccccc1 ZINC001140593005 1131816511 /nfs/dbraw/zinc/81/65/11/1131816511.db2.gz MAFWLFZUOBRDBG-IBGZPJMESA-N 0 1 299.389 3.925 20 0 CHADMN CN(C)c1cc(Cl)cc(Cl)c1CN[C@@H]1C=CCC1 ZINC001203055033 1131844787 /nfs/dbraw/zinc/84/47/87/1131844787.db2.gz LBRRVNGGOXDUIA-LLVKDONJSA-N 0 1 285.218 3.868 20 0 CHADMN COc1cccc2c1CN(Cc1cc(C)c(O)c(C)c1)CC2 ZINC001140654748 1131849250 /nfs/dbraw/zinc/84/92/50/1131849250.db2.gz BJMDIDYFLIESHA-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN CC(C)CCC[C@H](C)N(CCC(C)C)C(=O)CN(C)C ZINC001148370735 1131852227 /nfs/dbraw/zinc/85/22/27/1131852227.db2.gz DJWCJZVZKFWIAF-INIZCTEOSA-N 0 1 284.488 3.638 20 0 CHADMN Cc1nc2ccc(O[C@H](C)Cc3ccccc3)cc2[nH]1 ZINC001228325564 1131857892 /nfs/dbraw/zinc/85/78/92/1131857892.db2.gz BAIJUPRRYXUFIF-GFCCVEGCSA-N 0 1 266.344 3.881 20 0 CHADMN COc1ccc(CN2CCc3cc(F)ccc3C2)c(C)c1 ZINC001140677441 1131858264 /nfs/dbraw/zinc/85/82/64/1131858264.db2.gz NXNOGEVEKFRUFJ-UHFFFAOYSA-N 0 1 285.362 3.701 20 0 CHADMN Cc1nc2ccc(O[C@H](C)c3cnc4ccccn43)cc2[nH]1 ZINC001228326154 1131858784 /nfs/dbraw/zinc/85/87/84/1131858784.db2.gz GAOWRIANFSCVJJ-LLVKDONJSA-N 0 1 292.342 3.659 20 0 CHADMN Cc1nc2ccc(O[C@@H]3C[C@@H]4[C@H](C3)C4(C)C)cc2[nH]1 ZINC001228330160 1131859874 /nfs/dbraw/zinc/85/98/74/1131859874.db2.gz VXQOSACIUDOOKV-XYYAHUGASA-N 0 1 256.349 3.685 20 0 CHADMN CCOC(=O)c1ccc(CN2CCC[C@H]2c2ccccc2)[nH]1 ZINC001140688696 1131861510 /nfs/dbraw/zinc/86/15/10/1131861510.db2.gz XZBCDGRHFMJZMA-KRWDZBQOSA-N 0 1 298.386 3.529 20 0 CHADMN COCC[C@H](N[C@H](C)c1nc(C)cs1)c1ccccc1 ZINC000348097715 1131879210 /nfs/dbraw/zinc/87/92/10/1131879210.db2.gz QZWWAWHEOHSCAY-HIFRSBDPSA-N 0 1 290.432 3.880 20 0 CHADMN Cc1noc([C@@H](C)N[C@H](C)CCSc2ccccc2)n1 ZINC000348098921 1131881228 /nfs/dbraw/zinc/88/12/28/1131881228.db2.gz VMFGFTGHSBKWEK-VXGBXAGGSA-N 0 1 291.420 3.600 20 0 CHADMN Cc1csc([C@H](C)NCCOC2CCCCCC2)n1 ZINC000348105485 1131881575 /nfs/dbraw/zinc/88/15/75/1131881575.db2.gz DKGXEHJRVKNFIV-ZDUSSCGKSA-N 0 1 282.453 3.842 20 0 CHADMN Cc1cc(C(=O)CN(C)[C@@H](C)Cc2ccc(C)cc2)c(C)[nH]1 ZINC000348121856 1131884580 /nfs/dbraw/zinc/88/45/80/1131884580.db2.gz JKRXBXLGYBRSHU-HNNXBMFYSA-N 0 1 298.430 3.686 20 0 CHADMN Clc1ccc(O[C@H]2CCC[N@@H+](Cc3cc[nH]c3)C2)cc1 ZINC001140708835 1131889348 /nfs/dbraw/zinc/88/93/48/1131889348.db2.gz KPYQBQGHOXIEED-INIZCTEOSA-N 0 1 290.794 3.712 20 0 CHADMN CC[C@@H](c1ccccc1)N(Cc1nc(C)no1)CC(C)C ZINC000348141215 1131892631 /nfs/dbraw/zinc/89/26/31/1131892631.db2.gz USUDCDCJLZTJFQ-INIZCTEOSA-N 0 1 287.407 3.987 20 0 CHADMN O=C(CN1CCCC2(CCC2)C1)c1c[nH]c2ccccc12 ZINC000348193425 1131894906 /nfs/dbraw/zinc/89/49/06/1131894906.db2.gz MCNUAOLWQISBIK-UHFFFAOYSA-N 0 1 282.387 3.617 20 0 CHADMN Fc1ccc(/C=C\CNc2cnccc2-n2cccn2)cc1 ZINC000348146248 1131895898 /nfs/dbraw/zinc/89/58/98/1131895898.db2.gz UMQAIUSVGUKBQH-IWQZZHSRSA-N 0 1 294.333 3.532 20 0 CHADMN CCC[C@@H](Oc1nc(Cl)nc2nc[nH]c21)[C@H](C)CC ZINC001228510154 1131899393 /nfs/dbraw/zinc/89/93/93/1131899393.db2.gz VHJHYCFSBLZFND-RKDXNWHRSA-N 0 1 282.775 3.600 20 0 CHADMN CCC(CC)[C@H](CC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228508362 1131899821 /nfs/dbraw/zinc/89/98/21/1131899821.db2.gz CKAXSNIVUIMDDU-VIFPVBQESA-N 0 1 282.775 3.600 20 0 CHADMN CC[C@H](C[C@@H](C)CC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228508304 1131899884 /nfs/dbraw/zinc/89/98/84/1131899884.db2.gz CDXXSDRITCQYHF-DTWKUNHWSA-N 0 1 282.775 3.600 20 0 CHADMN COc1cccc(Cl)c1CN(C)CC1CCCC1 ZINC001140728669 1131900134 /nfs/dbraw/zinc/90/01/34/1131900134.db2.gz KHTBECBGZHADSG-UHFFFAOYSA-N 0 1 267.800 3.971 20 0 CHADMN CC(C)=CCC[C@H](C)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228510077 1131900232 /nfs/dbraw/zinc/90/02/32/1131900232.db2.gz UFOUAOHHRHJHLU-VIFPVBQESA-N 0 1 280.759 3.520 20 0 CHADMN CCc1ccc(CN2CCC[C@H](C(F)(F)F)[C@@H]2C)cn1 ZINC000348184519 1131901911 /nfs/dbraw/zinc/90/19/11/1131901911.db2.gz HNMARZYYPNTSMC-FZMZJTMJSA-N 0 1 286.341 3.807 20 0 CHADMN CCN(Cc1cccnc1)Cc1ccc(F)cc1C ZINC001140782119 1131915989 /nfs/dbraw/zinc/91/59/89/1131915989.db2.gz HJBRQEGJPJJWJD-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(O)cc(Cl)c2)cc1 ZINC001140794573 1131921458 /nfs/dbraw/zinc/92/14/58/1131921458.db2.gz QNJLNECFDHPGAT-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN Cc1cc(Br)ccc1CN1CCCC12CC2 ZINC001140815083 1131934908 /nfs/dbraw/zinc/93/49/08/1131934908.db2.gz CMRSDVXKJCVBRN-UHFFFAOYSA-N 0 1 280.209 3.886 20 0 CHADMN COc1ccc(CN2CCC[C@@H](C(F)F)C2)c(Cl)c1 ZINC001140822483 1131935332 /nfs/dbraw/zinc/93/53/32/1131935332.db2.gz SYPKVUBNKNRBHU-LLVKDONJSA-N 0 1 289.753 3.826 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCCc3c[nH]nc32)ccc1F ZINC000773067954 1131935774 /nfs/dbraw/zinc/93/57/74/1131935774.db2.gz YOSPHESUVAIBPQ-IAQYHMDHSA-N 0 1 273.355 3.585 20 0 CHADMN COc1cc(F)c(CN2CC3CCC(CC3)C2)c(F)c1 ZINC001140829064 1131939229 /nfs/dbraw/zinc/93/92/29/1131939229.db2.gz DHGXBNKSAOLHSC-UHFFFAOYSA-N 0 1 281.346 3.595 20 0 CHADMN CCc1ccc([C@H](C)NCc2cccc(F)n2)cc1 ZINC000773087447 1131941068 /nfs/dbraw/zinc/94/10/68/1131941068.db2.gz MMFMCZODELDRCJ-LBPRGKRZSA-N 0 1 258.340 3.634 20 0 CHADMN C[C@H]1CCc2c(F)cccc2[C@H]1NCc1cccc(F)n1 ZINC000773086505 1131941651 /nfs/dbraw/zinc/94/16/51/1131941651.db2.gz JSFLXUXJPJHSQD-GTNSWQLSSA-N 0 1 288.341 3.773 20 0 CHADMN CC[C@H](CC1CCCC1)C(=O)N1CCN([C@@H](C)CC)CC1 ZINC001140845551 1131944197 /nfs/dbraw/zinc/94/41/97/1131944197.db2.gz VVEKAONQURQOHX-DOTOQJQBSA-N 0 1 294.483 3.536 20 0 CHADMN CC[C@@H](C)CCCCC(=O)N1CCN([C@@H](C)CC)CC1 ZINC001140843911 1131944209 /nfs/dbraw/zinc/94/42/09/1131944209.db2.gz BMYYIENYQUOZKD-CVEARBPZSA-N 0 1 282.472 3.536 20 0 CHADMN CC(C)Cc1ncc(CN[C@H](C)c2cncs2)s1 ZINC000773094372 1131944591 /nfs/dbraw/zinc/94/45/91/1131944591.db2.gz JEIMRQPRALHCFL-SNVBAGLBSA-N 0 1 281.450 3.649 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc(F)c(F)c(F)c1)c1ccc[nH]1 ZINC000773115965 1131949559 /nfs/dbraw/zinc/94/95/59/1131949559.db2.gz COZHUYLXLPDBIO-DTWKUNHWSA-N 0 1 268.282 3.844 20 0 CHADMN C[C@@H]1CN(Cc2c(N)cccc2F)Cc2ccccc21 ZINC001140873363 1131953939 /nfs/dbraw/zinc/95/39/39/1131953939.db2.gz WMWUFGNOWPNWMI-GFCCVEGCSA-N 0 1 270.351 3.527 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1c(N)cccc1F ZINC001140877999 1131955469 /nfs/dbraw/zinc/95/54/69/1131955469.db2.gz ZOMCJKHIFHCHHF-SFHVURJKSA-N 0 1 284.378 3.917 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000773138465 1131958183 /nfs/dbraw/zinc/95/81/83/1131958183.db2.gz LEZOKTYADDTDOD-SWLSCSKDSA-N 0 1 284.407 3.575 20 0 CHADMN CCC[C@H](NC)c1nc(-c2ccc(Cl)c(F)c2)no1 ZINC001247624108 1131961479 /nfs/dbraw/zinc/96/14/79/1131961479.db2.gz APZROTCMHGBRTB-NSHDSACASA-N 0 1 283.734 3.590 20 0 CHADMN C[C@@H]1CCN(Cc2cnccc2C(F)(F)F)[C@H](C)C1 ZINC001140919531 1131964192 /nfs/dbraw/zinc/96/41/92/1131964192.db2.gz VAVVOLYKOLOJCU-GHMZBOCLSA-N 0 1 272.314 3.721 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2cccc(Cl)c2)n[nH]1 ZINC001203080665 1131967081 /nfs/dbraw/zinc/96/70/81/1131967081.db2.gz AQLMJZGMPIGVGQ-HNNXBMFYSA-N 0 1 275.783 3.709 20 0 CHADMN Cc1cc(CSc2nc(C(C)(C)C)n[nH]2)cc(Cl)n1 ZINC000714111227 1131969151 /nfs/dbraw/zinc/96/91/51/1131969151.db2.gz MBVIIUQBFGWYRA-UHFFFAOYSA-N 0 1 296.827 3.751 20 0 CHADMN Cc1cc(CSc2n[nH]c(C(C)(C)C)n2)cc(Cl)n1 ZINC000714111227 1131969154 /nfs/dbraw/zinc/96/91/54/1131969154.db2.gz MBVIIUQBFGWYRA-UHFFFAOYSA-N 0 1 296.827 3.751 20 0 CHADMN CCCC[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccccc1 ZINC001140946848 1131969052 /nfs/dbraw/zinc/96/90/52/1131969052.db2.gz HEKXCXNWODZCEZ-UHFFFAOYSA-N 0 1 287.359 3.780 20 0 CHADMN Cc1ccc(CSc2nc(C(C)(C)C)n[nH]2)c(Cl)n1 ZINC000714111963 1131969580 /nfs/dbraw/zinc/96/95/80/1131969580.db2.gz WBBJVQDZRYAECS-UHFFFAOYSA-N 0 1 296.827 3.751 20 0 CHADMN Cc1ccc(CSc2n[nH]c(C(C)(C)C)n2)c(Cl)n1 ZINC000714111963 1131969585 /nfs/dbraw/zinc/96/95/85/1131969585.db2.gz WBBJVQDZRYAECS-UHFFFAOYSA-N 0 1 296.827 3.751 20 0 CHADMN C[N@@H+](Cc1ccc(-c2ccccn2)s1)Cc1ccncc1 ZINC001141003127 1131981048 /nfs/dbraw/zinc/98/10/48/1131981048.db2.gz NIQXCBMKJJGXTO-UHFFFAOYSA-N 0 1 295.411 3.837 20 0 CHADMN CN(Cc1ccc(-c2ccccn2)s1)Cc1ccncc1 ZINC001141003127 1131981052 /nfs/dbraw/zinc/98/10/52/1131981052.db2.gz NIQXCBMKJJGXTO-UHFFFAOYSA-N 0 1 295.411 3.837 20 0 CHADMN C[Si](C)(C)CN(Cc1ncco1)Cc1ccccc1 ZINC001141007574 1131982690 /nfs/dbraw/zinc/98/26/90/1131982690.db2.gz RUJZTSNJXZETRL-UHFFFAOYSA-N 0 1 274.440 3.554 20 0 CHADMN Cc1cccc(C[N@H+](C)Cc2ccc3cccc(O)c3n2)c1 ZINC001141018576 1131986147 /nfs/dbraw/zinc/98/61/47/1131986147.db2.gz BHFSTCCLIHDCKZ-UHFFFAOYSA-N 0 1 292.382 3.881 20 0 CHADMN C[C@@H]1CC=C(C(=O)Nc2ccc(CN(C)C)c(F)c2)CC1 ZINC000836741533 1131989070 /nfs/dbraw/zinc/98/90/70/1131989070.db2.gz DEXFYNBDRSUIFP-GFCCVEGCSA-N 0 1 290.382 3.572 20 0 CHADMN C[C@@H](NCc1cccc(Cl)c1)c1ccns1 ZINC000715907685 1131994040 /nfs/dbraw/zinc/99/40/40/1131994040.db2.gz IKMZYHDBHZPAGB-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN Fc1ccc([C@@H]2CCCN2Cc2ccn3ccnc3c2)cc1 ZINC001141047689 1131995785 /nfs/dbraw/zinc/99/57/85/1131995785.db2.gz PWSLBGXJBVPIQD-KRWDZBQOSA-N 0 1 295.361 3.811 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccns2)cc1F ZINC000715933721 1131998044 /nfs/dbraw/zinc/99/80/44/1131998044.db2.gz SYKOVZIONLVIMN-UWVGGRQHSA-N 0 1 280.368 3.703 20 0 CHADMN COc1cccc([C@@H](C)N[C@@H](C)c2ccns2)c1 ZINC000715963447 1131999773 /nfs/dbraw/zinc/99/97/73/1131999773.db2.gz BEMKHXNGVRWMNA-MNOVXSKESA-N 0 1 262.378 3.564 20 0 CHADMN C[C@H](N[C@@H]1CCc2cc(F)ccc21)c1ccns1 ZINC000715966323 1132000140 /nfs/dbraw/zinc/00/01/40/1132000140.db2.gz NUSBZUIZWVTUKW-TVQRCGJNSA-N 0 1 262.353 3.620 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2N[C@@H](C)c1ccns1 ZINC000716021820 1132001179 /nfs/dbraw/zinc/00/11/79/1132001179.db2.gz QMRWKNGWMCTVMS-XHDPSFHLSA-N 0 1 288.416 3.880 20 0 CHADMN COc1ccc2nc(Cl)c(CN(C)C(C)C)cc2c1 ZINC001141060719 1132001614 /nfs/dbraw/zinc/00/16/14/1132001614.db2.gz CTGWBTBMZKSNLL-UHFFFAOYSA-N 0 1 278.783 3.737 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2N[C@@H](C)c1ccns1 ZINC000716021816 1132002484 /nfs/dbraw/zinc/00/24/84/1132002484.db2.gz QMRWKNGWMCTVMS-NHYWBVRUSA-N 0 1 288.416 3.880 20 0 CHADMN C[C@@H](NCc1ccc(Cl)c(F)c1)c1ccns1 ZINC000716054349 1132003570 /nfs/dbraw/zinc/00/35/70/1132003570.db2.gz JVAHMCYHIIKTHN-MRVPVSSYSA-N 0 1 270.760 3.786 20 0 CHADMN C[C@H](N[C@@H]1CSCc2ccccc21)c1ccns1 ZINC000716014270 1132007720 /nfs/dbraw/zinc/00/77/20/1132007720.db2.gz JPNREDZXEYFURQ-GXFFZTMASA-N 0 1 276.430 3.782 20 0 CHADMN CC[C@H](C)N(C)Cc1cccc(C)c1Br ZINC001141089030 1132010376 /nfs/dbraw/zinc/01/03/76/1132010376.db2.gz FVCIQBPRDRBGSJ-NSHDSACASA-N 0 1 270.214 3.988 20 0 CHADMN CC[C@@H](CSC)N(C)Cn1ccc(-c2ccccc2)n1 ZINC000773254596 1132013289 /nfs/dbraw/zinc/01/32/89/1132013289.db2.gz FOKVZYMNXNLAKF-HNNXBMFYSA-N 0 1 289.448 3.581 20 0 CHADMN Cc1cc(CNCCc2ccc(Cl)c(Cl)c2)no1 ZINC000716328434 1132023705 /nfs/dbraw/zinc/02/37/05/1132023705.db2.gz JAYKJLDSBURJQH-UHFFFAOYSA-N 0 1 285.174 3.622 20 0 CHADMN Cc1ccccc1C1(NCC=C(Cl)Cl)CC1 ZINC001171472281 1132040785 /nfs/dbraw/zinc/04/07/85/1132040785.db2.gz YUZPMOZHGHOTNM-UHFFFAOYSA-N 0 1 256.176 3.893 20 0 CHADMN Cc1ccc(CN2CCC(C(F)(F)F)CC2)c(F)c1 ZINC001141191839 1132040922 /nfs/dbraw/zinc/04/09/22/1132040922.db2.gz WHSMCZGAKWPLRY-UHFFFAOYSA-N 0 1 275.289 3.908 20 0 CHADMN CCc1ccc(C)nc1NCc1cc(F)c(F)c(F)c1 ZINC001203104270 1132043360 /nfs/dbraw/zinc/04/33/60/1132043360.db2.gz CNABVPYWADVPNI-UHFFFAOYSA-N 0 1 280.293 3.982 20 0 CHADMN Cc1cnc(NCCOC2CCCCC2)c2[nH]ccc21 ZINC001171477636 1132044461 /nfs/dbraw/zinc/04/44/61/1132044461.db2.gz KFTRDGOFNAPIHY-UHFFFAOYSA-N 0 1 273.380 3.633 20 0 CHADMN O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)C(F)(F)F ZINC000837179757 1132048582 /nfs/dbraw/zinc/04/85/82/1132048582.db2.gz WUYBZUWAMGKOFP-MWLCHTKSSA-N 0 1 291.700 3.655 20 0 CHADMN Cc1cnc2c(c1)CN([C@H]1CCc3c(C)cccc3C1)CC2 ZINC001171580739 1132060545 /nfs/dbraw/zinc/06/05/45/1132060545.db2.gz YNFPORHTLNJLFL-SFHVURJKSA-N 0 1 292.426 3.614 20 0 CHADMN Cc1cccc2c1CC[C@H](N(C)CC(=O)c1ccccc1)C2 ZINC001171574007 1132060894 /nfs/dbraw/zinc/06/08/94/1132060894.db2.gz KWLUNCHHLLVLHI-SFHVURJKSA-N 0 1 293.410 3.667 20 0 CHADMN CCC[C@H](Oc1nc(C)nc2[nH]cnc21)c1ccccc1 ZINC001229438354 1132066627 /nfs/dbraw/zinc/06/66/27/1132066627.db2.gz IWYDZHVESLIUTF-ZDUSSCGKSA-N 0 1 282.347 3.582 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(OC)c(OC)cc1F ZINC001141283672 1132071487 /nfs/dbraw/zinc/07/14/87/1132071487.db2.gz VNIQGZCIGSPHBH-CYBMUJFWSA-N 0 1 281.371 3.607 20 0 CHADMN Cc1ccc(CC[C@@H](C)N(C)Cc2cscn2)cc1 ZINC001171678249 1132076084 /nfs/dbraw/zinc/07/60/84/1132076084.db2.gz CSHTXZQGVCKRPK-CQSZACIVSA-N 0 1 274.433 3.905 20 0 CHADMN Cc1ccc(CC[C@H](C)N2Cc3ccncc3C2)cc1 ZINC001171678054 1132077087 /nfs/dbraw/zinc/07/70/87/1132077087.db2.gz BDHZOZIENXNPID-HNNXBMFYSA-N 0 1 266.388 3.727 20 0 CHADMN CC(C)(C)OC(=O)CN(CCC1=CCCCC1)CC1CC1 ZINC001171756594 1132088169 /nfs/dbraw/zinc/08/81/69/1132088169.db2.gz OTRYEPWMQORMSD-UHFFFAOYSA-N 0 1 293.451 3.931 20 0 CHADMN CCCCCc1cc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)n[nH]1 ZINC001141344326 1132095529 /nfs/dbraw/zinc/09/55/29/1132095529.db2.gz VHUYVAXRVUBGGU-DZGCQCFKSA-N 0 1 291.439 3.793 20 0 CHADMN COc1cc(Cl)ncc1CN1CC[C@H]2CCCC[C@@H]2C1 ZINC001141347084 1132096826 /nfs/dbraw/zinc/09/68/26/1132096826.db2.gz WYKBEMMCVFCPEI-CHWSQXEVSA-N 0 1 294.826 3.756 20 0 CHADMN CC[C@@H]1COC(C)(C)CN1Cc1ccc(F)cc1C ZINC001171778914 1132097643 /nfs/dbraw/zinc/09/76/43/1132097643.db2.gz RLAKDMFAJXUCQJ-OAHLLOKOSA-N 0 1 265.372 3.524 20 0 CHADMN COCCN(CCF)Cc1c(C)c(C)c(C)c(C)c1C ZINC001171820059 1132100293 /nfs/dbraw/zinc/10/02/93/1132100293.db2.gz KWVYIRVRHYKUNK-UHFFFAOYSA-N 0 1 281.415 3.647 20 0 CHADMN Fc1cccc2c1C[C@@H](N1Cc3ccc(Cl)cc3C1)C2 ZINC001171808433 1132105003 /nfs/dbraw/zinc/10/50/03/1132105003.db2.gz YUEQUVXRBJOVHF-HNNXBMFYSA-N 0 1 287.765 3.962 20 0 CHADMN CCCCCC[C@@H](C)C(=O)NCc1ccc2cncn2c1 ZINC000837859691 1132105964 /nfs/dbraw/zinc/10/59/64/1132105964.db2.gz WOTBNXXLIBFBEV-CQSZACIVSA-N 0 1 287.407 3.557 20 0 CHADMN Fc1ccc(C2CCN(Cc3cccnc3)CC2)c(F)c1 ZINC001204077476 1132108023 /nfs/dbraw/zinc/10/80/23/1132108023.db2.gz XUCGBYNDRXYYQT-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN COc1ccc2nc(O[C@H]3CCc4cc(F)ccc43)[nH]c2c1 ZINC001229728353 1132111062 /nfs/dbraw/zinc/11/10/62/1132111062.db2.gz SDDFQNSNGHGCFT-INIZCTEOSA-N 0 1 298.317 3.777 20 0 CHADMN COc1ccc2nc(O[C@H](C)c3cccs3)[nH]c2c1 ZINC001229726947 1132111220 /nfs/dbraw/zinc/11/12/20/1132111220.db2.gz MYBJFACBADKVLL-SECBINFHSA-N 0 1 274.345 3.773 20 0 CHADMN COc1ccc(CN2CC[C@H](C)C[C@H]2C)c(OC)c1Cl ZINC001248799447 1132115663 /nfs/dbraw/zinc/11/56/63/1132115663.db2.gz DLFAPEQTTSPSIL-NWDGAFQWSA-N 0 1 297.826 3.978 20 0 CHADMN COc1ccc(CN2CCC[C@H](C)[C@@H]2C)c(OC)c1Cl ZINC001248799181 1132116469 /nfs/dbraw/zinc/11/64/69/1132116469.db2.gz SPSXFWPWJDPUNO-RYUDHWBXSA-N 0 1 297.826 3.978 20 0 CHADMN C[C@@H](Cc1ccccc1)Oc1ccc(F)cc1CN(C)C ZINC001229853161 1132126015 /nfs/dbraw/zinc/12/60/15/1132126015.db2.gz CXGWVBUEGBAVCN-AWEZNQCLSA-N 0 1 287.378 3.897 20 0 CHADMN CCCc1cc(F)c(O[C@@H]2CC[N@H+](C(C)C)C2)c(F)c1 ZINC001229965485 1132137859 /nfs/dbraw/zinc/13/78/59/1132137859.db2.gz SIMAYGMVSYVDRF-CYBMUJFWSA-N 0 1 283.362 3.779 20 0 CHADMN CCCc1cc(F)c(O[C@@H]2CCN(C(C)C)C2)c(F)c1 ZINC001229965485 1132137862 /nfs/dbraw/zinc/13/78/62/1132137862.db2.gz SIMAYGMVSYVDRF-CYBMUJFWSA-N 0 1 283.362 3.779 20 0 CHADMN CCC[C@H](Oc1nc[nH]c(=O)c1Cl)c1ccccc1 ZINC001230016875 1132145298 /nfs/dbraw/zinc/14/52/98/1132145298.db2.gz JBXVSGJKNMULAY-NSHDSACASA-N 0 1 278.739 3.756 20 0 CHADMN CCCCC[C@H](CC)Oc1nc[nH]c(=O)c1Cl ZINC001230015361 1132145687 /nfs/dbraw/zinc/14/56/87/1132145687.db2.gz XJCUWQLRRRWBHT-VIFPVBQESA-N 0 1 258.749 3.573 20 0 CHADMN CN(C)Cc1ccc(NC2CC3(CCC3)C2)cc1F ZINC000838880248 1132155172 /nfs/dbraw/zinc/15/51/72/1132155172.db2.gz IHJQBLHVBHYPKR-UHFFFAOYSA-N 0 1 262.372 3.632 20 0 CHADMN CC[C@H](C)OCC[C@H](C)N[C@H](C(C)=O)c1ccccc1 ZINC001172320728 1132158747 /nfs/dbraw/zinc/15/87/47/1132158747.db2.gz ZYWOQRUJCQZENY-GRDNDAEWSA-N 0 1 277.408 3.500 20 0 CHADMN Cc1ccc(CN(C)CC2(O)CCCCCC2)c(Cl)n1 ZINC000838941116 1132161056 /nfs/dbraw/zinc/16/10/56/1132161056.db2.gz NICLSUKLDXFCQA-UHFFFAOYSA-N 0 1 296.842 3.561 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@H]1CCc2c1nccc2Cl ZINC001230223969 1132161717 /nfs/dbraw/zinc/16/17/17/1132161717.db2.gz XQXPQMRQCVJCRF-AWEZNQCLSA-N 0 1 299.761 3.986 20 0 CHADMN CC(=O)[C@H](Oc1cc2cn[nH]c2cc1C)c1ccccc1 ZINC001230224893 1132162505 /nfs/dbraw/zinc/16/25/05/1132162505.db2.gz BVQHGKVQSYPCDO-KRWDZBQOSA-N 0 1 280.327 3.580 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@@H](C)c1ccncc1F ZINC001230225412 1132163021 /nfs/dbraw/zinc/16/30/21/1132163021.db2.gz TXAMZBRKEHYMGT-JTQLQIEISA-N 0 1 271.295 3.545 20 0 CHADMN CC1(C)C[C@@H](N2CCC[C@@H]2c2ccc(F)cc2F)CO1 ZINC001172293884 1132165961 /nfs/dbraw/zinc/16/59/61/1132165961.db2.gz TYYVUEXIYINDRO-IUODEOHRSA-N 0 1 281.346 3.669 20 0 CHADMN C[C@@H]1CC[C@@H](N(C)CC(=O)c2ccccc2)C[C@@H]1C ZINC001172380560 1132170749 /nfs/dbraw/zinc/17/07/49/1132170749.db2.gz VBOHOCVWGDVHTK-IJEWVQPXSA-N 0 1 259.393 3.626 20 0 CHADMN CC[C@H](C)OCC[C@H](C)N1CCC[C@@H]1c1cc(C)on1 ZINC001172336521 1132175266 /nfs/dbraw/zinc/17/52/66/1132175266.db2.gz HZRNLXFOACNELI-HEHGZKQESA-N 0 1 280.412 3.714 20 0 CHADMN C[C@H](CCCc1cccnc1)NCc1csc(Cl)n1 ZINC000839142531 1132184653 /nfs/dbraw/zinc/18/46/53/1132184653.db2.gz IDUMKKRSGSZNLP-LLVKDONJSA-N 0 1 295.839 3.693 20 0 CHADMN FC(F)(F)CC1CN(Cc2cncc3ccccc32)C1 ZINC000839139276 1132185009 /nfs/dbraw/zinc/18/50/09/1132185009.db2.gz ZPSYELNKBWUWOE-UHFFFAOYSA-N 0 1 280.293 3.619 20 0 CHADMN FC(F)Sc1ccc(CN2C[C@@H]3C[C@H]2CS3)cc1 ZINC000839191185 1132190295 /nfs/dbraw/zinc/19/02/95/1132190295.db2.gz FQPLUUWVRRQNKE-JQWIXIFHSA-N 0 1 287.400 3.691 20 0 CHADMN Clc1ccc2c(CN3CCCCC34COC4)c[nH]c2c1 ZINC001141586210 1132191382 /nfs/dbraw/zinc/19/13/82/1132191382.db2.gz XHBBFGSRJFESNS-UHFFFAOYSA-N 0 1 290.794 3.576 20 0 CHADMN CC(C)(C)N1CC(Oc2ccc3ncc(Cl)cc3c2)C1 ZINC001230567489 1132194999 /nfs/dbraw/zinc/19/49/99/1132194999.db2.gz OGDMAAOCVMZWOI-UHFFFAOYSA-N 0 1 290.794 3.750 20 0 CHADMN Cc1nc2c(s1)CN([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172382998 1132207586 /nfs/dbraw/zinc/20/75/86/1132207586.db2.gz NRQGCHKORUYLRD-JFGNBEQYSA-N 0 1 250.411 3.592 20 0 CHADMN CC[C@H](CC(C)C)N[C@@H](C(=O)OC)C1CCCCC1 ZINC001172383130 1132208448 /nfs/dbraw/zinc/20/84/48/1132208448.db2.gz KBWKEFKMKFXXOH-HUUCEWRRSA-N 0 1 269.429 3.523 20 0 CHADMN CCCCCC[C@@H](CCC)N1CCn2cncc2C1 ZINC001172387908 1132212832 /nfs/dbraw/zinc/21/28/32/1132212832.db2.gz VMDLNSSMRAQPFZ-OAHLLOKOSA-N 0 1 263.429 3.838 20 0 CHADMN C[C@H]1CN(Cc2cc3cccnc3cc2F)CCC1(F)F ZINC001141623618 1132214165 /nfs/dbraw/zinc/21/41/65/1132214165.db2.gz NFNDJVGSCPKNCE-NSHDSACASA-N 0 1 294.320 3.851 20 0 CHADMN Cc1ccccc1[C@H](C)Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230885384 1132223468 /nfs/dbraw/zinc/22/34/68/1132223468.db2.gz WZFPUCYIDOUIEC-NSHDSACASA-N 0 1 298.317 3.923 20 0 CHADMN Cc1ccc2c(c1)nc(=O)[nH]c2O[C@@H](C)c1ccccc1F ZINC001230888413 1132224085 /nfs/dbraw/zinc/22/40/85/1132224085.db2.gz MGVUMPPBYKAGNA-NSHDSACASA-N 0 1 298.317 3.923 20 0 CHADMN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)[C@@H]1CCN1C(C)(C)C ZINC001141661623 1132227996 /nfs/dbraw/zinc/22/79/96/1132227996.db2.gz HKVGFKAWDZQUJQ-ILXRZTDVSA-N 0 1 294.483 3.532 20 0 CHADMN CC(C)COCC[C@@H](C)N1CCc2ncc(Cl)cc2C1 ZINC001172485531 1132230303 /nfs/dbraw/zinc/23/03/03/1132230303.db2.gz WTXPNONHIGLDEF-CYBMUJFWSA-N 0 1 296.842 3.544 20 0 CHADMN COc1ccc([C@H](C)Oc2cc3[nH]ncc3c(F)c2)cc1 ZINC001230930383 1132231216 /nfs/dbraw/zinc/23/12/16/1132231216.db2.gz DDHZHNCBHXORPI-JTQLQIEISA-N 0 1 286.306 3.851 20 0 CHADMN CC1(C)COCCN1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001141738860 1132243572 /nfs/dbraw/zinc/24/35/72/1132243572.db2.gz DASRYWUYGRLOOG-UHFFFAOYSA-N 0 1 293.410 3.869 20 0 CHADMN CCCN(CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000839990806 1132244076 /nfs/dbraw/zinc/24/40/76/1132244076.db2.gz JXMSAMXFTYZHCU-KRWDZBQOSA-N 0 1 298.430 3.572 20 0 CHADMN Cc1cnc(=S)n(CN2CC[C@H](CC(C)(C)C)C2)c1 ZINC000840148934 1132247713 /nfs/dbraw/zinc/24/77/13/1132247713.db2.gz CCPJXBRCLOTMNC-CYBMUJFWSA-N 0 1 279.453 3.637 20 0 CHADMN CC(C)CN(C)Cc1cc(Br)cc(F)c1F ZINC001141795482 1132249995 /nfs/dbraw/zinc/24/99/95/1132249995.db2.gz HBRUOPFLKLLFNO-UHFFFAOYSA-N 0 1 292.167 3.815 20 0 CHADMN c1ccc([C@@H]2CCC[C@H](N3CCOC4(CC4)C3)C2)cc1 ZINC001172550484 1132263904 /nfs/dbraw/zinc/26/39/04/1132263904.db2.gz XANQWFVGPFVLAB-SJORKVTESA-N 0 1 271.404 3.578 20 0 CHADMN CN(Cc1cscn1)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172565169 1132270059 /nfs/dbraw/zinc/27/00/59/1132270059.db2.gz SGSJGQQBVHAUIX-ZBFHGGJFSA-N 0 1 272.417 3.911 20 0 CHADMN c1ccc([C@@H]2CC[C@@H](N3CC4(C3)CCCCO4)C2)cc1 ZINC001172563563 1132271256 /nfs/dbraw/zinc/27/12/56/1132271256.db2.gz NOOMXVYNPNTMCE-IAGOWNOFSA-N 0 1 271.404 3.578 20 0 CHADMN CCCCCC(=O)c1ccc(OC2CCN(C)CC2)cc1 ZINC001231257481 1132275098 /nfs/dbraw/zinc/27/50/98/1132275098.db2.gz SFGIKHKTTNLGBN-UHFFFAOYSA-N 0 1 289.419 3.923 20 0 CHADMN c1ccc([C@@H]2CCC[C@@H](N3C[C@H]4CC[C@@H]3CO4)C2)cc1 ZINC001172549117 1132282458 /nfs/dbraw/zinc/28/24/58/1132282458.db2.gz NDXVFSKCQPKKLY-BRSBDYLESA-N 0 1 271.404 3.576 20 0 CHADMN COc1c(F)ccc(F)c1CN1C2CCCC1CCC2 ZINC001231417706 1132292451 /nfs/dbraw/zinc/29/24/51/1132292451.db2.gz XOMNSGBIZJGOAI-UHFFFAOYSA-N 0 1 281.346 3.880 20 0 CHADMN F[C@@H]1CCCCN([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172718712 1132295257 /nfs/dbraw/zinc/29/52/57/1132295257.db2.gz KDCISJCNDPZYNM-CABCVRRESA-N 0 1 267.775 3.631 20 0 CHADMN Cc1c(F)ccc(CN2CCC23CCCC3)c1F ZINC001231475835 1132296483 /nfs/dbraw/zinc/29/64/83/1132296483.db2.gz MEBRSHASCNBJAA-UHFFFAOYSA-N 0 1 251.320 3.792 20 0 CHADMN CCCCOc1ccc(-c2noc(-c3c[nH]nc3C)n2)cc1 ZINC001212678747 1132298547 /nfs/dbraw/zinc/29/85/47/1132298547.db2.gz ORQXSTDFVZYCRY-UHFFFAOYSA-N 0 1 298.346 3.614 20 0 CHADMN Cc1c(F)ccc(CN2CC[C@H](c3ccccn3)C2)c1F ZINC001231477537 1132298676 /nfs/dbraw/zinc/29/86/76/1132298676.db2.gz KBWNSPFKSVYVQR-ZDUSSCGKSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1c(F)ccc(CN2CCC3(CCOCC3)CC2)c1F ZINC001231478422 1132298912 /nfs/dbraw/zinc/29/89/12/1132298912.db2.gz DEVYFZHVUKPCOP-UHFFFAOYSA-N 0 1 295.373 3.666 20 0 CHADMN CCc1ncc(CNc2ccc([N@@H+](CC)C(C)C)cc2)cn1 ZINC000840881584 1132301446 /nfs/dbraw/zinc/30/14/46/1132301446.db2.gz DUKLBJRFEHJETF-UHFFFAOYSA-N 0 1 298.434 3.886 20 0 CHADMN CCc1ncc(CNc2ccc(N(CC)C(C)C)cc2)cn1 ZINC000840881584 1132301455 /nfs/dbraw/zinc/30/14/55/1132301455.db2.gz DUKLBJRFEHJETF-UHFFFAOYSA-N 0 1 298.434 3.886 20 0 CHADMN NCc1nc2cnccc2n1C1CCC2(CCCC2)CC1 ZINC001172729049 1132302215 /nfs/dbraw/zinc/30/22/15/1132302215.db2.gz SZJOOEWOSDXBAG-UHFFFAOYSA-N 0 1 284.407 3.566 20 0 CHADMN Cc1c(C)c(C)c(CN2CCC(=O)[C@H](C)C2)c(C)c1C ZINC001231492083 1132303146 /nfs/dbraw/zinc/30/31/46/1132303146.db2.gz HCWSIJXABYBDJF-LLVKDONJSA-N 0 1 273.420 3.640 20 0 CHADMN Fc1cc2cccnc2c(CNc2nccn2C2CC2)c1 ZINC000840886529 1132303353 /nfs/dbraw/zinc/30/33/53/1132303353.db2.gz FVLHDTCTYUOELX-UHFFFAOYSA-N 0 1 282.322 3.517 20 0 CHADMN Cc1c(C)c(C)c(CN2CCC(=O)[C@@H](C)C2)c(C)c1C ZINC001231492084 1132304152 /nfs/dbraw/zinc/30/41/52/1132304152.db2.gz HCWSIJXABYBDJF-NSHDSACASA-N 0 1 273.420 3.640 20 0 CHADMN c1cn(C2CC2)c(NCc2coc3ccccc23)n1 ZINC000840887072 1132304128 /nfs/dbraw/zinc/30/41/28/1132304128.db2.gz HARGZDAWAGNOKA-UHFFFAOYSA-N 0 1 253.305 3.576 20 0 CHADMN Cn1cc(CNc2nccn2C2CC2)c(C2CCCCC2)n1 ZINC000840887394 1132304826 /nfs/dbraw/zinc/30/48/26/1132304826.db2.gz MVKBPVHWUYLFFS-UHFFFAOYSA-N 0 1 299.422 3.611 20 0 CHADMN Cc1c(C)c(C)c(CN2C[C@H]3CC[C@@H](C2)O3)c(C)c1C ZINC001231493366 1132305000 /nfs/dbraw/zinc/30/50/00/1132305000.db2.gz WEYYTEVMGRYJNJ-CALCHBBNSA-N 0 1 273.420 3.592 20 0 CHADMN FC[C@@H]1CN(Cc2ccccc2-c2ccccc2)CCO1 ZINC000840955598 1132314035 /nfs/dbraw/zinc/31/40/35/1132314035.db2.gz WQCNYKRHKNWAHY-QGZVFWFLSA-N 0 1 285.362 3.524 20 0 CHADMN CCN(Cc1ccnc(Cl)c1F)C1CC(C)(C)C1 ZINC000840971423 1132314949 /nfs/dbraw/zinc/31/49/49/1132314949.db2.gz MQMWJUQHWZQOER-UHFFFAOYSA-N 0 1 270.779 3.885 20 0 CHADMN Cc1ccccc1CN(C)Cc1cc(Br)c[nH]1 ZINC001231576409 1132315293 /nfs/dbraw/zinc/31/52/93/1132315293.db2.gz GZNGLVNCLHUGNV-UHFFFAOYSA-N 0 1 293.208 3.718 20 0 CHADMN O=C([O-])[C@H]1CCC[N@H+]1C1CCC(C2CCCCC2)CC1 ZINC000840996524 1132316693 /nfs/dbraw/zinc/31/66/93/1132316693.db2.gz YDHJGZVKZJNRFJ-UYSNPLJNSA-N 0 1 279.424 3.675 20 0 CHADMN Nc1cccc(Cl)c1Nc1ccc2nc[nH]c2c1 ZINC000258719996 1132316747 /nfs/dbraw/zinc/31/67/47/1132316747.db2.gz GANQVOHWSCISHE-UHFFFAOYSA-N 0 1 258.712 3.542 20 0 CHADMN COc1cc(F)ccc1CN1CCCc2ccccc2C1 ZINC001231603244 1132325102 /nfs/dbraw/zinc/32/51/02/1132325102.db2.gz ISIHZKZOVOFYGD-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN COc1cc(F)ccc1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001231606482 1132326702 /nfs/dbraw/zinc/32/67/02/1132326702.db2.gz PVDDUPYAOWRJBE-UHFFFAOYSA-N 0 1 295.373 3.939 20 0 CHADMN Oc1cc(Cl)c(CN2C[C@H]3CCC[C@@H]3C2)c(Cl)c1 ZINC001142106115 1132326990 /nfs/dbraw/zinc/32/69/90/1132326990.db2.gz ZTDYIOQOUTXKRB-NXEZZACHSA-N 0 1 286.202 3.931 20 0 CHADMN COc1cc(C)c(CN2CCC[C@H]2C(C)=O)cc1C(C)C ZINC001231627776 1132329505 /nfs/dbraw/zinc/32/95/05/1132329505.db2.gz LCXVOQMIDGQWCI-KRWDZBQOSA-N 0 1 289.419 3.680 20 0 CHADMN F[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC001231630367 1132330814 /nfs/dbraw/zinc/33/08/14/1132330814.db2.gz PFVDKQNAQYJGQV-AWEZNQCLSA-N 0 1 274.339 3.666 20 0 CHADMN F[C@H]1CCCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC001231630367 1132330821 /nfs/dbraw/zinc/33/08/21/1132330821.db2.gz PFVDKQNAQYJGQV-AWEZNQCLSA-N 0 1 274.339 3.666 20 0 CHADMN c1oc(-c2ccccc2)nc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001231630008 1132332233 /nfs/dbraw/zinc/33/22/33/1132332233.db2.gz IJJWUJOTVWFEGR-HOCLYGCPSA-N 0 1 282.387 3.964 20 0 CHADMN CCO[C@@H]1CCCN([C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172852591 1132339790 /nfs/dbraw/zinc/33/97/90/1132339790.db2.gz HBWQIGDLJFBTRB-CHWSQXEVSA-N 0 1 299.817 3.911 20 0 CHADMN CCO[C@H]1CCCN([C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172852592 1132340847 /nfs/dbraw/zinc/34/08/47/1132340847.db2.gz HBWQIGDLJFBTRB-OLZOCXBDSA-N 0 1 299.817 3.911 20 0 CHADMN COc1cc(Cl)c(CN(C)CCC2CC2)c(OC)c1 ZINC001231700346 1132346539 /nfs/dbraw/zinc/34/65/39/1132346539.db2.gz YQFSQRUOKKNYEV-UHFFFAOYSA-N 0 1 283.799 3.589 20 0 CHADMN COc1cc(Cl)c(CN2CC[C@@H](C)C[C@@H]2C)c(OC)c1 ZINC001231696738 1132347706 /nfs/dbraw/zinc/34/77/06/1132347706.db2.gz JCNNUSDOQQJRMD-NEPJUHHUSA-N 0 1 297.826 3.978 20 0 CHADMN C[C@H](CSc1ccc(Cl)cc1)NCc1ccno1 ZINC001172870107 1132350323 /nfs/dbraw/zinc/35/03/23/1132350323.db2.gz IIFIPWBSBVRQQV-SNVBAGLBSA-N 0 1 282.796 3.598 20 0 CHADMN CC(C)O[C@H]1CC[N@H+]([C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172872689 1132352133 /nfs/dbraw/zinc/35/21/33/1132352133.db2.gz NYWVUNWEBKORLV-DOMZBBRYSA-N 0 1 299.817 3.909 20 0 CHADMN C[C@H](CSc1ccc(Cl)cc1)NCc1cnco1 ZINC001172872774 1132352575 /nfs/dbraw/zinc/35/25/75/1132352575.db2.gz FBVKBLKQNXAKKW-SNVBAGLBSA-N 0 1 282.796 3.598 20 0 CHADMN CCOc1ncccc1CN(CC)Cc1ccc(C)cc1 ZINC001231764870 1132357945 /nfs/dbraw/zinc/35/79/45/1132357945.db2.gz AIGVHQUBRMEVNX-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN CSc1ccccc1CN1CCC[C@H]1c1cnccn1 ZINC001231784701 1132359664 /nfs/dbraw/zinc/35/96/64/1132359664.db2.gz AIEMIKROFDAFMJ-HNNXBMFYSA-N 0 1 285.416 3.536 20 0 CHADMN Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(O)c2)s1 ZINC001142303352 1132362598 /nfs/dbraw/zinc/36/25/98/1132362598.db2.gz HRHARDASVDVPCL-VIFPVBQESA-N 0 1 295.791 3.907 20 0 CHADMN Cc1ccc(-c2ccc(CN3CC[C@](F)(CO)C3)cc2)cc1 ZINC001142301894 1132362891 /nfs/dbraw/zinc/36/28/91/1132362891.db2.gz WYUYMGKAAIAPDR-LJQANCHMSA-N 0 1 299.389 3.568 20 0 CHADMN C[C@H](NC(=O)c1cccc2nc[nH]c21)[C@H]1CCC[C@H](C)C1 ZINC001142302428 1132363929 /nfs/dbraw/zinc/36/39/29/1132363929.db2.gz XOCAKCXNDVBMBL-AVGNSLFASA-N 0 1 285.391 3.508 20 0 CHADMN CN(Cc1ccncn1)Cc1ccccc1-c1ccccc1 ZINC001142348963 1132373837 /nfs/dbraw/zinc/37/38/37/1132373837.db2.gz OHLLQFPMNYLAAZ-UHFFFAOYSA-N 0 1 289.382 3.776 20 0 CHADMN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H](F)C1 ZINC001173079105 1132388743 /nfs/dbraw/zinc/38/87/43/1132388743.db2.gz PXUJSMIOLHWXJB-JQWIXIFHSA-N 0 1 291.288 3.560 20 0 CHADMN C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H](F)C1 ZINC001173079107 1132388859 /nfs/dbraw/zinc/38/88/59/1132388859.db2.gz PXUJSMIOLHWXJB-PWSUYJOCSA-N 0 1 291.288 3.560 20 0 CHADMN Cc1ccc(CN(C)Cc2ccnc(C(F)F)c2)cc1 ZINC001231890809 1132392623 /nfs/dbraw/zinc/39/26/23/1132392623.db2.gz NIYZUMOIDNMNSF-UHFFFAOYSA-N 0 1 276.330 3.960 20 0 CHADMN Fc1cnc(CNC2CCC3(CCCCC3)CC2)nc1 ZINC001173117060 1132395214 /nfs/dbraw/zinc/39/52/14/1132395214.db2.gz JDQBMKWLBUFFNO-UHFFFAOYSA-N 0 1 277.387 3.598 20 0 CHADMN Cc1cnc(CNC2CCC3(CCCCC3)CC2)nc1 ZINC001173116974 1132396309 /nfs/dbraw/zinc/39/63/09/1132396309.db2.gz GJLZMIZLPAKZLF-UHFFFAOYSA-N 0 1 273.424 3.768 20 0 CHADMN CN(Cc1ccon1)C1CCC2(CCCCC2)CC1 ZINC001173120961 1132399405 /nfs/dbraw/zinc/39/94/05/1132399405.db2.gz KRPHQHWRJFPRNL-UHFFFAOYSA-N 0 1 262.397 4.000 20 0 CHADMN CC1(C)CN([C@H]2CCc3ncsc3C2)Cc2ccccc21 ZINC001173143155 1132405710 /nfs/dbraw/zinc/40/57/10/1132405710.db2.gz ZOONJWCMBYZVOL-AWEZNQCLSA-N 0 1 298.455 3.794 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1cc(C)nc(C)c1)CC2 ZINC001231995164 1132407984 /nfs/dbraw/zinc/40/79/84/1132407984.db2.gz HTJSKHWYTMWKDZ-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN Oc1cncc(C[N@H+]2CCC[C@@H](CCc3ccccc3)C2)c1 ZINC001232044064 1132414454 /nfs/dbraw/zinc/41/44/54/1132414454.db2.gz NOCYEOTZVPTZNM-KRWDZBQOSA-N 0 1 296.414 3.632 20 0 CHADMN CCCN(CCC)Cc1c(Cl)n(C)nc1C(F)F ZINC001232050863 1132415440 /nfs/dbraw/zinc/41/54/40/1132415440.db2.gz IJRNJTIZYVCADE-UHFFFAOYSA-N 0 1 279.762 3.633 20 0 CHADMN c1c(CN2CCC[C@@H]3CCCC[C@H]32)[nH]c2cccnc12 ZINC001232065194 1132416795 /nfs/dbraw/zinc/41/67/95/1132416795.db2.gz MZLZTFVCJGFGFF-SUMWQHHRSA-N 0 1 269.392 3.718 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1cccc(C(F)(F)F)n1 ZINC001232067764 1132417310 /nfs/dbraw/zinc/41/73/10/1132417310.db2.gz VLCKETHEHXTGFI-PHIMTYICSA-N 0 1 272.314 3.863 20 0 CHADMN CN(Cc1cc2ncccc2[nH]1)Cc1ccc(Cl)cc1 ZINC001232069875 1132417428 /nfs/dbraw/zinc/41/74/28/1132417428.db2.gz MTKBSVKCWRAGLC-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN FC(F)(F)c1cccc(CN2CC[C@@H]3CCC[C@@H]3C2)n1 ZINC001232068893 1132417722 /nfs/dbraw/zinc/41/77/22/1132417722.db2.gz JMOFJOSAVQYFGO-NWDGAFQWSA-N 0 1 284.325 3.722 20 0 CHADMN C[C@H]1CCCCCN1Cc1cccc(C(F)(F)F)n1 ZINC001232071815 1132418296 /nfs/dbraw/zinc/41/82/96/1132418296.db2.gz HXDRKOLJJFLJKM-NSHDSACASA-N 0 1 272.314 3.865 20 0 CHADMN CCc1ccc(C[C@@H](C)N(C)CC(=O)c2ccccc2)cc1 ZINC001173248571 1132419220 /nfs/dbraw/zinc/41/92/20/1132419220.db2.gz UUMKGUJLBBSAGS-MRXNPFEDSA-N 0 1 295.426 3.995 20 0 CHADMN Fc1cc(F)c(CN2C[C@@H]3CCC[C@H]3C2)c(Cl)c1 ZINC001232097435 1132421629 /nfs/dbraw/zinc/42/16/29/1132421629.db2.gz NWLPPHJZEIBQIZ-UWVGGRQHSA-N 0 1 271.738 3.850 20 0 CHADMN CCCC[C@H](CC(C)C)N1CCCC(=O)[C@@H](F)C1 ZINC001173255334 1132423647 /nfs/dbraw/zinc/42/36/47/1132423647.db2.gz HVYZFNYWBUBROG-KGLIPLIRSA-N 0 1 257.393 3.594 20 0 CHADMN C[C@@H]1CCN1Cc1c(Br)[nH]c2ccccc21 ZINC001232140419 1132427147 /nfs/dbraw/zinc/42/71/47/1132427147.db2.gz SRPXVBXZRQYSLV-SECBINFHSA-N 0 1 279.181 3.525 20 0 CHADMN CCC[C@H]1CCCCN1Cc1c(Cl)nccc1OC ZINC001232153859 1132428640 /nfs/dbraw/zinc/42/86/40/1132428640.db2.gz YNSMSQNKMVVCRY-LBPRGKRZSA-N 0 1 282.815 3.898 20 0 CHADMN C[C@H]1C[N@H+](Cc2ncccc2Br)CCC[C@@H]1C ZINC001232161963 1132429086 /nfs/dbraw/zinc/42/90/86/1132429086.db2.gz PIIVMCGLTYFBSZ-RYUDHWBXSA-N 0 1 297.240 3.712 20 0 CHADMN C[C@H]1CN(Cc2ncccc2Br)CCC[C@@H]1C ZINC001232161963 1132429094 /nfs/dbraw/zinc/42/90/94/1132429094.db2.gz PIIVMCGLTYFBSZ-RYUDHWBXSA-N 0 1 297.240 3.712 20 0 CHADMN Cc1nocc1Nc1nc2cccc(Cl)c2s1 ZINC001212717731 1132429188 /nfs/dbraw/zinc/42/91/88/1132429188.db2.gz OPYRNOCLDWLXJQ-UHFFFAOYSA-N 0 1 265.725 3.990 20 0 CHADMN CCCC[N@@H+](CCC)Cc1ncccc1Br ZINC001232164568 1132429723 /nfs/dbraw/zinc/42/97/23/1132429723.db2.gz LSFLNTNDLSJTDA-UHFFFAOYSA-N 0 1 285.229 3.856 20 0 CHADMN CCCCN(CCC)Cc1ncccc1Br ZINC001232164568 1132429729 /nfs/dbraw/zinc/42/97/29/1132429729.db2.gz LSFLNTNDLSJTDA-UHFFFAOYSA-N 0 1 285.229 3.856 20 0 CHADMN CC(C)[N@@H+](Cc1cn(C)nc1C1CC1)Cc1ccccc1 ZINC001232168065 1132430689 /nfs/dbraw/zinc/43/06/89/1132430689.db2.gz ZCBVKSSFBQRMRU-UHFFFAOYSA-N 0 1 283.419 3.708 20 0 CHADMN CC[C@@H]1CC[C@@H](NC2(c3cccc(Cl)c3)COC2)C1 ZINC001173265261 1132431461 /nfs/dbraw/zinc/43/14/61/1132431461.db2.gz HVHZGBHMDDXLAI-IUODEOHRSA-N 0 1 279.811 3.734 20 0 CHADMN c1cc(C[N@@H+]2CCC[C@H](CCc3ccccc3)C2)sn1 ZINC001232195923 1132433499 /nfs/dbraw/zinc/43/34/99/1132433499.db2.gz SFOSOONTOGESDW-MRXNPFEDSA-N 0 1 286.444 3.988 20 0 CHADMN Fc1ccc(CC2CCN(Cc3cnsc3)CC2)cc1 ZINC001232230450 1132440503 /nfs/dbraw/zinc/44/05/03/1132440503.db2.gz JVNBWZRMBNEQGG-UHFFFAOYSA-N 0 1 290.407 3.737 20 0 CHADMN c1cc(CN2CC3CCC2CC3)n(Cc2ccccc2)c1 ZINC001232234162 1132440968 /nfs/dbraw/zinc/44/09/68/1132440968.db2.gz UANBJMMLLLRHCM-UHFFFAOYSA-N 0 1 280.415 3.911 20 0 CHADMN CC(C)Cc1ccccc1-c1nc(C2(N)CCCC2)no1 ZINC000842593239 1132443740 /nfs/dbraw/zinc/44/37/40/1132443740.db2.gz WEHFUNHKKUGGDE-UHFFFAOYSA-N 0 1 285.391 3.663 20 0 CHADMN CCCCC[C@H](c1nc([C@H]2CCCN2)no1)C(C)C ZINC000842641761 1132447689 /nfs/dbraw/zinc/44/76/89/1132447689.db2.gz GEWMJPNSKHZNPJ-QWHCGFSZSA-N 0 1 265.401 3.814 20 0 CHADMN CCSC[C@H](C)N1CCN(c2ccccc2Cl)CC1 ZINC001173306630 1132448034 /nfs/dbraw/zinc/44/80/34/1132448034.db2.gz XBPYOSRLJZLUET-ZDUSSCGKSA-N 0 1 298.883 3.604 20 0 CHADMN CCc1sc(CN2C[C@@H]3C[C@@H]3C2)cc1Br ZINC001232289587 1132448561 /nfs/dbraw/zinc/44/85/61/1132448561.db2.gz IZNPZIBZOBIGSM-DTORHVGOSA-N 0 1 286.238 3.525 20 0 CHADMN CCN(c1ccc(N[C@H]2CO[C@@H](C)C2)cc1)C(C)C ZINC000842672709 1132449512 /nfs/dbraw/zinc/44/95/12/1132449512.db2.gz ZOQBZHDCFHVTCZ-DZGCQCFKSA-N 0 1 262.397 3.511 20 0 CHADMN Cc1cc(C)cc([C@H](N[C@@H]2CO[C@@H](C)C2)c2cccnc2)c1 ZINC000842677803 1132450586 /nfs/dbraw/zinc/45/05/86/1132450586.db2.gz XDWKKFFPAOKHJB-ZYSHUDEJSA-N 0 1 296.414 3.555 20 0 CHADMN Cc1cc(Br)ncc1CN1C[C@@H](C)C[C@H](C)C1 ZINC001232317648 1132451753 /nfs/dbraw/zinc/45/17/53/1132451753.db2.gz XNOHLOYNLHKBOS-QWRGUYRKSA-N 0 1 297.240 3.630 20 0 CHADMN CCOc1ccc(CN(CC)Cc2cccs2)c(C)n1 ZINC001232311686 1132452847 /nfs/dbraw/zinc/45/28/47/1132452847.db2.gz YRDPCXRUFNOYHN-UHFFFAOYSA-N 0 1 290.432 3.872 20 0 CHADMN CC[C@H]1CC[C@H](n2c(-c3ccccc3)cnc2CN)C1 ZINC001173278260 1132453071 /nfs/dbraw/zinc/45/30/71/1132453071.db2.gz YFKIZXQQWAGLRR-ZFWWWQNUSA-N 0 1 269.392 3.760 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)CCCC1=O ZINC001142828423 1132455150 /nfs/dbraw/zinc/45/51/50/1132455150.db2.gz DEOQEJCFEPZUFJ-OAHLLOKOSA-N 0 1 294.398 3.550 20 0 CHADMN Fc1cccc(C2(NCc3ccc(F)nc3)CCC2)c1 ZINC000842744419 1132456041 /nfs/dbraw/zinc/45/60/41/1132456041.db2.gz UMDIANMOTXTIHD-UHFFFAOYSA-N 0 1 274.314 3.529 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C)c(C)c2)c(C)n1 ZINC001232337678 1132456681 /nfs/dbraw/zinc/45/66/81/1132456681.db2.gz NDDPNYYNHFIRSY-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN COc1cc(C)c(CN(C)Cc2ccc(C)c(C)c2)cn1 ZINC001232354718 1132460009 /nfs/dbraw/zinc/46/00/09/1132460009.db2.gz WBECNFJBMBSMPG-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN CCSC[C@@H](C)NCc1cc(-c2ccccc2)on1 ZINC001173292399 1132460204 /nfs/dbraw/zinc/46/02/04/1132460204.db2.gz XDNSZGDFZBBFTG-GFCCVEGCSA-N 0 1 276.405 3.573 20 0 CHADMN COc1cc(CN2CCC[C@H](C)[C@@H]2C)c(OC)cc1Cl ZINC001232372226 1132460947 /nfs/dbraw/zinc/46/09/47/1132460947.db2.gz LVUKKEVMKRAUAJ-RYUDHWBXSA-N 0 1 297.826 3.978 20 0 CHADMN COc1cc(CN2CC3CCC2CC3)c(OC)cc1Cl ZINC001232372675 1132461001 /nfs/dbraw/zinc/46/10/01/1132461001.db2.gz DMTTWZBFSXWHKL-UHFFFAOYSA-N 0 1 295.810 3.732 20 0 CHADMN COc1cc(CN2CCC[C@@H](C)CC2)c(OC)cc1Cl ZINC001232369964 1132461088 /nfs/dbraw/zinc/46/10/88/1132461088.db2.gz HTXFSLHMHCYYPA-GFCCVEGCSA-N 0 1 297.826 3.979 20 0 CHADMN COc1ccc(OCc2ccccc2)c(CN2CC[C@H]2C)c1 ZINC001232378424 1132462787 /nfs/dbraw/zinc/46/27/87/1132462787.db2.gz FCNCJTRVJARKLM-OAHLLOKOSA-N 0 1 297.398 3.868 20 0 CHADMN Cc1ccc(OC(C)C)c(CN2C[C@@H](C)C[C@H]2CF)c1 ZINC001232395948 1132466186 /nfs/dbraw/zinc/46/61/86/1132466186.db2.gz QXZQWIVFXAPXKL-HOCLYGCPSA-N 0 1 279.399 3.962 20 0 CHADMN Cc1cccc(CN2CCC2)c1OCc1ccccc1 ZINC001232399501 1132466781 /nfs/dbraw/zinc/46/67/81/1132466781.db2.gz PUXBSSUCQPADQN-UHFFFAOYSA-N 0 1 267.372 3.780 20 0 CHADMN Fc1ccc2nc(CN3CCC4(CCCC4)CC3)cn2c1 ZINC001232410443 1132468068 /nfs/dbraw/zinc/46/80/68/1132468068.db2.gz GBIRSDWOWWRDSD-UHFFFAOYSA-N 0 1 287.382 3.630 20 0 CHADMN Clc1ccc2c(c1)CCN(Cc1ccnc3[nH]ccc31)C2 ZINC001142879023 1132468585 /nfs/dbraw/zinc/46/85/85/1132468585.db2.gz DWKGODGUKAHQSX-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN CN(Cc1ccnc2[nH]ccc21)Cc1ccccc1Cl ZINC001142881058 1132469594 /nfs/dbraw/zinc/46/95/94/1132469594.db2.gz NHBHZDAHGSIHND-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CCN(Cc1[nH]nc2c1CCC2)Cc1ccc(C)c(C)c1 ZINC001232430007 1132469682 /nfs/dbraw/zinc/46/96/82/1132469682.db2.gz KQVXKOBDIWBPIA-UHFFFAOYSA-N 0 1 283.419 3.537 20 0 CHADMN FC(F)(F)c1ccc(CN2C[C@H]3CCC[C@@H]3C2)o1 ZINC001232442474 1132469928 /nfs/dbraw/zinc/46/99/28/1132469928.db2.gz FHYGFJMSXSHOLY-NXEZZACHSA-N 0 1 259.271 3.530 20 0 CHADMN c1c(CN(CC2CC2)C2CC2)onc1OCc1ccccc1 ZINC001232450055 1132471417 /nfs/dbraw/zinc/47/14/17/1132471417.db2.gz PJBQTTOHEZBNOO-UHFFFAOYSA-N 0 1 298.386 3.628 20 0 CHADMN Cc1ncc(CN2CCCC[C@H]2c2ccccc2F)[nH]1 ZINC001232461692 1132472926 /nfs/dbraw/zinc/47/29/26/1132472926.db2.gz DAXCCTFHCLVNDE-INIZCTEOSA-N 0 1 273.355 3.584 20 0 CHADMN Cc1ncc(CN(C)Cc2ccc(Cl)c(Cl)c2)[nH]1 ZINC001232458881 1132472940 /nfs/dbraw/zinc/47/29/40/1132472940.db2.gz BYQBEFVDYDHTGF-UHFFFAOYSA-N 0 1 284.190 3.657 20 0 CHADMN FC(F)[C@H]1CCCN(Cc2c[nH]c3nccc(Cl)c23)C1 ZINC001232460981 1132473136 /nfs/dbraw/zinc/47/31/36/1132473136.db2.gz WXQMIWNTEQCKTJ-VIFPVBQESA-N 0 1 299.752 3.693 20 0 CHADMN Cc1ncc(C[N@H+]2CCc3ccc(Cl)cc3[C@@H](C)C2)[nH]1 ZINC001232464544 1132474019 /nfs/dbraw/zinc/47/40/19/1132474019.db2.gz GVQQDDOGBSVAAB-NSHDSACASA-N 0 1 289.810 3.533 20 0 CHADMN Cc1cccc(F)c1CN1CC[C@@H](F)C(F)(F)CC1 ZINC001232482641 1132477363 /nfs/dbraw/zinc/47/73/63/1132477363.db2.gz SUGMCKWLRFSVHF-CYBMUJFWSA-N 0 1 275.289 3.703 20 0 CHADMN Cc1cccc(F)c1CN1CC[C@H](F)C(F)(F)CC1 ZINC001232482642 1132477904 /nfs/dbraw/zinc/47/79/04/1132477904.db2.gz SUGMCKWLRFSVHF-ZDUSSCGKSA-N 0 1 275.289 3.703 20 0 CHADMN Cc1cccc(F)c1CN1CCC[C@H]1c1ccncc1 ZINC001232483089 1132478093 /nfs/dbraw/zinc/47/80/93/1132478093.db2.gz BLVBIIISVFGQMV-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cccc(F)c1CN1CCC(F)(F)[C@@H](C)C1 ZINC001232481148 1132478420 /nfs/dbraw/zinc/47/84/20/1132478420.db2.gz AGYFZJGYDITJAI-NSHDSACASA-N 0 1 257.299 3.611 20 0 CHADMN Cc1cccc(F)c1CN1CC[C@@](CF)(C(F)(F)F)C1 ZINC001232489201 1132479663 /nfs/dbraw/zinc/47/96/63/1132479663.db2.gz JRKXRNCFMCJXHX-ZDUSSCGKSA-N 0 1 293.279 3.858 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cc(F)ccn2)cc1 ZINC001232494577 1132480558 /nfs/dbraw/zinc/48/05/58/1132480558.db2.gz VFSAEMJDBGUSAY-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1cc(F)ccc1N ZINC001232508170 1132481309 /nfs/dbraw/zinc/48/13/09/1132481309.db2.gz XNRAOTXKRUFWAQ-GFCCVEGCSA-N 0 1 270.351 3.527 20 0 CHADMN C[C@@H]1CN(Cc2cc(F)ccc2N)Cc2ccccc21 ZINC001232506304 1132482079 /nfs/dbraw/zinc/48/20/79/1132482079.db2.gz DTVLYZDDNLKNCG-GFCCVEGCSA-N 0 1 270.351 3.527 20 0 CHADMN CCC1CCN(Cc2cccc(Br)c2N)CC1 ZINC001232523695 1132483403 /nfs/dbraw/zinc/48/34/03/1132483403.db2.gz PDSZEBCCFVTOQT-UHFFFAOYSA-N 0 1 297.240 3.653 20 0 CHADMN Cc1c(Br)cncc1CN1C[C@H](C)C[C@@H](C)C1 ZINC001232530992 1132484067 /nfs/dbraw/zinc/48/40/67/1132484067.db2.gz QBTZNSPSCNAEAX-GHMZBOCLSA-N 0 1 297.240 3.630 20 0 CHADMN C[C@H]1CN(Cc2cccc(CF)n2)Cc2ccccc21 ZINC001232535872 1132484147 /nfs/dbraw/zinc/48/41/47/1132484147.db2.gz ODLKHHQAOAKIMJ-ZDUSSCGKSA-N 0 1 270.351 3.670 20 0 CHADMN C[C@H]1CN(Cc2cc3ccoc3cn2)Cc2ccccc21 ZINC001232549152 1132485158 /nfs/dbraw/zinc/48/51/58/1132485158.db2.gz BZAXROJFEQBEFC-ZDUSSCGKSA-N 0 1 278.355 3.947 20 0 CHADMN c1cc2cc(CN3CCCc4ccccc4C3)ncc2o1 ZINC001232553503 1132485726 /nfs/dbraw/zinc/48/57/26/1132485726.db2.gz WIBWXSURLQEADV-UHFFFAOYSA-N 0 1 278.355 3.776 20 0 CHADMN c1cc2cc(CN3CC4(C3)CCCCC4)ncc2o1 ZINC001232553753 1132487185 /nfs/dbraw/zinc/48/71/85/1132487185.db2.gz DXUVPBTZIXIFOE-UHFFFAOYSA-N 0 1 256.349 3.594 20 0 CHADMN CCCC1CCN(Cc2nc3ccccc3o2)CC1 ZINC001232558575 1132487196 /nfs/dbraw/zinc/48/71/96/1132487196.db2.gz ZVSULHVQVQSLBR-UHFFFAOYSA-N 0 1 258.365 3.840 20 0 CHADMN CC[N@@H+](Cc1ccccn1)Cc1c(C)cc(OC)cc1C ZINC001142941967 1132488004 /nfs/dbraw/zinc/48/80/04/1132488004.db2.gz NKGUMCACNAPOIP-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN CC1CCN(Cc2cc(OCc3ccccc3)ccn2)CC1 ZINC001232586112 1132488920 /nfs/dbraw/zinc/48/89/20/1132488920.db2.gz WHBXALOYQPQPFK-UHFFFAOYSA-N 0 1 296.414 3.893 20 0 CHADMN CCOc1ccnc(CN2CCc3ccccc3[C@@H]2CC)c1 ZINC001232588340 1132489383 /nfs/dbraw/zinc/48/93/83/1132489383.db2.gz RWVNJJAPNWJZAA-IBGZPJMESA-N 0 1 296.414 3.990 20 0 CHADMN F[C@H]1CN(Cc2ccc3ccsc3c2)C[C@@H]2C[C@@H]21 ZINC001232611002 1132493112 /nfs/dbraw/zinc/49/31/12/1132493112.db2.gz HTEOQXXTUCOLAX-IHRRRGAJSA-N 0 1 261.365 3.691 20 0 CHADMN Cn1nc(-c2ccccc2)cc1CN1CCC[C@H]2CCC[C@@H]21 ZINC001143012988 1132493547 /nfs/dbraw/zinc/49/35/47/1132493547.db2.gz VRNFNURESJVWTE-APWZRJJASA-N 0 1 295.430 3.852 20 0 CHADMN c1cc2ccc(CN3CCOC[C@@H]3C3CC3)cc2s1 ZINC001232616020 1132494843 /nfs/dbraw/zinc/49/48/43/1132494843.db2.gz MDJIGDODYAPSNU-OAHLLOKOSA-N 0 1 273.401 3.512 20 0 CHADMN CC(C)C[N@@H+](C)Cc1ccc(Cl)c([O-])c1Cl ZINC001232624027 1132497560 /nfs/dbraw/zinc/49/75/60/1132497560.db2.gz LHKDSQNWFUCATA-UHFFFAOYSA-N 0 1 262.180 3.787 20 0 CHADMN CC[C@@H](CC1CCCC1)c1nc([C@@H](N)C(C)C)no1 ZINC000843150370 1132497800 /nfs/dbraw/zinc/49/78/00/1132497800.db2.gz AFKOPLWIARHMMP-STQMWFEESA-N 0 1 265.401 3.799 20 0 CHADMN CC[N@@H+](Cc1cc(F)c([O-])c(Br)c1)C(C)C ZINC001232630356 1132497915 /nfs/dbraw/zinc/49/79/15/1132497915.db2.gz PIXSERJYPSDFMD-UHFFFAOYSA-N 0 1 290.176 3.524 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@@H](Cc2ccccc2)C(C)C)n1 ZINC000843150049 1132497941 /nfs/dbraw/zinc/49/79/41/1132497941.db2.gz RRUBIDXYINEXLD-LSDHHAIUSA-N 0 1 287.407 3.708 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2ccc(C(C)(C)C)s2)n1 ZINC000843150350 1132498105 /nfs/dbraw/zinc/49/81/05/1132498105.db2.gz STPKNDMVNIRFHY-NSHDSACASA-N 0 1 279.409 3.751 20 0 CHADMN C/C(=C/c1nc([C@@H](N)C(C)C)no1)c1ccccc1Cl ZINC000843149037 1132498576 /nfs/dbraw/zinc/49/85/76/1132498576.db2.gz IEZKFHHOFAOVSS-GDAGCXPBSA-N 0 1 291.782 3.939 20 0 CHADMN Cc1nc(CN2CCC[C@H]2C(C)C)ccc1Br ZINC001232669086 1132501929 /nfs/dbraw/zinc/50/19/29/1132501929.db2.gz NRRSHWIKCGDMAX-AWEZNQCLSA-N 0 1 297.240 3.773 20 0 CHADMN C[C@H]1CCCN(Cc2occc2Br)C[C@H]1C ZINC001143116792 1132504893 /nfs/dbraw/zinc/50/48/93/1132504893.db2.gz UIFBZTDEWNIQIE-WDEREUQCSA-N 0 1 286.213 3.910 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1occc1Br ZINC001143117004 1132504980 /nfs/dbraw/zinc/50/49/80/1132504980.db2.gz OWSAEDLELNPQFD-NXEZZACHSA-N 0 1 272.186 3.805 20 0 CHADMN COc1cc(C)cc(CN2CCOC3(CCCCC3)C2)c1 ZINC001143160225 1132509443 /nfs/dbraw/zinc/50/94/43/1132509443.db2.gz MKWUUSMLPUULLA-UHFFFAOYSA-N 0 1 289.419 3.539 20 0 CHADMN Fc1ccc2c(c1)CCN(Cc1cccc3ncsc31)C2 ZINC001232736748 1132511849 /nfs/dbraw/zinc/51/18/49/1132511849.db2.gz OWRDVVUAINFFBD-UHFFFAOYSA-N 0 1 298.386 3.994 20 0 CHADMN CN(Cc1ccc2ncsc2c1)Cc1cccc(O)c1 ZINC001232736446 1132512100 /nfs/dbraw/zinc/51/21/00/1132512100.db2.gz BQHLHAZNCYYLTE-UHFFFAOYSA-N 0 1 284.384 3.634 20 0 CHADMN CC1(C)CN(Cc2ccc3ncsc3c2)CC(C)(C)O1 ZINC001232743789 1132513589 /nfs/dbraw/zinc/51/35/89/1132513589.db2.gz FKIRLHOSBXFOJG-UHFFFAOYSA-N 0 1 290.432 3.686 20 0 CHADMN CCCCNC(=S)Nc1ccc(F)cc1SC ZINC000843283768 1132514225 /nfs/dbraw/zinc/51/42/25/1132514225.db2.gz HWTMRSWBMDMYRW-UHFFFAOYSA-N 0 1 272.414 3.634 20 0 CHADMN c1nc2ccc(C[N@H+]3CCCCC34CC4)cc2s1 ZINC001232743513 1132514913 /nfs/dbraw/zinc/51/49/13/1132514913.db2.gz YREMXZQBQHMGKE-UHFFFAOYSA-N 0 1 258.390 3.815 20 0 CHADMN Cc1c(Cl)nccc1CN(C)Cc1cccs1 ZINC001232753339 1132516313 /nfs/dbraw/zinc/51/63/13/1132516313.db2.gz WWSUWJNCBPQDCM-UHFFFAOYSA-N 0 1 266.797 3.737 20 0 CHADMN COc1cccc(CN(C)Cc2ccnc(Cl)c2C)c1 ZINC001232752505 1132516370 /nfs/dbraw/zinc/51/63/70/1132516370.db2.gz JVWJEYRBGCMTJA-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN C[C@H]1CN(Cc2cc3cccnc3[nH]2)Cc2ccccc21 ZINC001143211424 1132518429 /nfs/dbraw/zinc/51/84/29/1132518429.db2.gz CIBWOHHPRLCTEY-ZDUSSCGKSA-N 0 1 277.371 3.682 20 0 CHADMN CCN(Cc1cc2cccnc2[nH]1)Cc1cccc(F)c1 ZINC001143221889 1132519211 /nfs/dbraw/zinc/51/92/11/1132519211.db2.gz PJFQIPFGAAFDNK-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN Oc1cccc(CN2CCCCC23CC3)c1Cl ZINC001232788823 1132520897 /nfs/dbraw/zinc/52/08/97/1132520897.db2.gz PDSVDJRLLYZPDC-UHFFFAOYSA-N 0 1 251.757 3.564 20 0 CHADMN CN(Cc1ccc(C(F)(F)F)nc1Cl)C(C)(C)C ZINC001232792079 1132521065 /nfs/dbraw/zinc/52/10/65/1132521065.db2.gz BVTVSMNLFLWSCY-UHFFFAOYSA-N 0 1 280.721 3.984 20 0 CHADMN CN(Cc1ccc(C(F)(F)F)nc1Cl)CC1CCC1 ZINC001232792515 1132522341 /nfs/dbraw/zinc/52/23/41/1132522341.db2.gz IEHNNQCFCLFTOU-UHFFFAOYSA-N 0 1 292.732 3.986 20 0 CHADMN Cc1ccccc1Nc1ccc(CCN2CCOCC2)cc1 ZINC001173817747 1132522484 /nfs/dbraw/zinc/52/24/84/1132522484.db2.gz SQIUJDDPNWYKFH-UHFFFAOYSA-N 0 1 296.414 3.613 20 0 CHADMN CCCn1cnc(CN2CCC(C(C)(C)C)CC2)c1 ZINC001232795214 1132523237 /nfs/dbraw/zinc/52/32/37/1132523237.db2.gz KFWSILCEDYRDKG-UHFFFAOYSA-N 0 1 263.429 3.551 20 0 CHADMN CCOc1ccc(CN2CCC[C@H](C)C2)c(F)c1F ZINC001143267997 1132527119 /nfs/dbraw/zinc/52/71/19/1132527119.db2.gz WCOAYZXPPFBGSZ-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(C(C)(C)O)nc2)cc1 ZINC001232828597 1132527399 /nfs/dbraw/zinc/52/73/99/1132527399.db2.gz QJSQMZBLIUZLPZ-UHFFFAOYSA-N 0 1 298.430 3.503 20 0 CHADMN Oc1ccc2[nH]cc(CN3CCc4cc(F)ccc4C3)c2c1 ZINC001232869975 1132533563 /nfs/dbraw/zinc/53/35/63/1132533563.db2.gz ZNXURNIJUBOWLC-UHFFFAOYSA-N 0 1 296.345 3.571 20 0 CHADMN COc1c(F)ccc(CN(C)CCc2cccs2)c1F ZINC001143318219 1132534096 /nfs/dbraw/zinc/53/40/96/1132534096.db2.gz IVBRWLCMHOCKFY-UHFFFAOYSA-N 0 1 297.370 3.709 20 0 CHADMN CC(C)[C@H]1N(Cc2cccnc2Cl)CC12CC=CC2 ZINC000843431888 1132534420 /nfs/dbraw/zinc/53/44/20/1132534420.db2.gz MMXBEZSYEORSAO-CQSZACIVSA-N 0 1 276.811 3.912 20 0 CHADMN CC(C)[C@@H]1N(Cc2cccnc2Cl)CC12CC=CC2 ZINC000843431887 1132534824 /nfs/dbraw/zinc/53/48/24/1132534824.db2.gz MMXBEZSYEORSAO-AWEZNQCLSA-N 0 1 276.811 3.912 20 0 CHADMN CC[C@H]1CCCN(Cc2ccc(F)c(OC)c2F)C1 ZINC001143322246 1132536888 /nfs/dbraw/zinc/53/68/88/1132536888.db2.gz WUQCIUHDAVCGOU-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CCOc1ncc(Cl)cc1CN(C)CC(C)(C)C ZINC001233172414 1132575993 /nfs/dbraw/zinc/57/59/93/1132575993.db2.gz RADGUWKOEWNWQH-UHFFFAOYSA-N 0 1 270.804 3.612 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)c2[nH]nc3ncccc32)cc1 ZINC001149393197 1132542268 /nfs/dbraw/zinc/54/22/68/1132542268.db2.gz IIDPGYYXTUCHOO-LLVKDONJSA-N 0 1 294.358 3.724 20 0 CHADMN FC(F)(F)Sc1cccc(CN2CC=CC2)c1 ZINC001232944872 1132547380 /nfs/dbraw/zinc/54/73/80/1132547380.db2.gz BVTYDUUXXHEWQK-UHFFFAOYSA-N 0 1 259.296 3.670 20 0 CHADMN Cc1cccc2nc(NC(=O)c3cc4[nH]ccc4s3)[nH]c21 ZINC001149855121 1132548893 /nfs/dbraw/zinc/54/88/93/1132548893.db2.gz UNFVVMMNAFIQHP-UHFFFAOYSA-N 0 1 296.355 3.666 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C)cc2[nH]1 ZINC001150106308 1132551540 /nfs/dbraw/zinc/55/15/40/1132551540.db2.gz KKTDLURRCQLVAK-GWCFXTLKSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cccc(F)c3C)cc2[nH]1 ZINC001150107247 1132552003 /nfs/dbraw/zinc/55/20/03/1132552003.db2.gz ZYFPXRRXIDRHAA-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccc3c(c2)COC3)c1F ZINC001214799155 1132553200 /nfs/dbraw/zinc/55/32/00/1132553200.db2.gz ODOIZFIOAQAAEZ-UHFFFAOYSA-N 0 1 279.698 3.959 20 0 CHADMN OCc1cc(Nc2ccc(Cl)c(O)c2F)ccc1F ZINC001214801240 1132553248 /nfs/dbraw/zinc/55/32/48/1132553248.db2.gz GAWDCDJZZZLOBM-UHFFFAOYSA-N 0 1 285.677 3.560 20 0 CHADMN CCCC1CCN(Cc2cc(F)cnc2C)CC1 ZINC001232989866 1132557768 /nfs/dbraw/zinc/55/77/68/1132557768.db2.gz YEJSSATUGOHOQR-UHFFFAOYSA-N 0 1 250.361 3.541 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCCCC[C@@H]1C ZINC001233018860 1132562870 /nfs/dbraw/zinc/56/28/70/1132562870.db2.gz CPLZSTQYOKRUBH-LBPRGKRZSA-N 0 1 281.421 3.689 20 0 CHADMN O=c1ccn(-c2ccc(Nc3c(F)cccc3F)cc2)[nH]1 ZINC001173861044 1132562916 /nfs/dbraw/zinc/56/29/16/1132562916.db2.gz RYYYIJKDIDOCLR-UHFFFAOYSA-N 0 1 287.269 3.600 20 0 CHADMN C[N@H+](Cc1cc(Cl)ncc1[O-])[C@@H]1CCc2ccccc21 ZINC001233040107 1132564930 /nfs/dbraw/zinc/56/49/30/1132564930.db2.gz JYFUWCNGGWWGLU-CQSZACIVSA-N 0 1 288.778 3.560 20 0 CHADMN C[N@@H+](Cc1cc(Cl)ncc1[O-])[C@@H]1CCc2ccccc21 ZINC001233040107 1132564935 /nfs/dbraw/zinc/56/49/35/1132564935.db2.gz JYFUWCNGGWWGLU-CQSZACIVSA-N 0 1 288.778 3.560 20 0 CHADMN CC(C)[N@@H+](Cc1ccccc1)Cc1cc(Cl)ncc1O ZINC001233033650 1132565229 /nfs/dbraw/zinc/56/52/29/1132565229.db2.gz RVTSSIAZJIRYNN-UHFFFAOYSA-N 0 1 290.794 3.851 20 0 CHADMN CC(C)[N@@H+](Cc1ccccc1)Cc1cc(Cl)ncc1[O-] ZINC001233033650 1132565239 /nfs/dbraw/zinc/56/52/39/1132565239.db2.gz RVTSSIAZJIRYNN-UHFFFAOYSA-N 0 1 290.794 3.851 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1cc(Cl)ncc1O ZINC001233032572 1132565357 /nfs/dbraw/zinc/56/53/57/1132565357.db2.gz LRLYHOQJESGAPI-NSHDSACASA-N 0 1 288.778 3.560 20 0 CHADMN CN(C)c1ccc(CN2CCC[C@@H]2c2ccccc2)c(F)n1 ZINC001233115772 1132572473 /nfs/dbraw/zinc/57/24/73/1132572473.db2.gz OBRVCOBMQXLXKD-MRXNPFEDSA-N 0 1 299.393 3.624 20 0 CHADMN O=C(Nc1ccc(F)c(C2CC2)c1)c1ccn2cncc2c1 ZINC001151904672 1132575519 /nfs/dbraw/zinc/57/55/19/1132575519.db2.gz PWEAGNWVMZCRSI-UHFFFAOYSA-N 0 1 295.317 3.603 20 0 CHADMN CCOc1ncc(Cl)cc1CN1C[C@@H](C)C[C@H](C)C1 ZINC001233173258 1132576096 /nfs/dbraw/zinc/57/60/96/1132576096.db2.gz MQXTVMDUNDTKOZ-RYUDHWBXSA-N 0 1 282.815 3.612 20 0 CHADMN CC[C@H](C)N(C)Cc1cc(Cl)cnc1OC(C)C ZINC001233167060 1132576807 /nfs/dbraw/zinc/57/68/07/1132576807.db2.gz IOMXSCGFAMIYRY-NSHDSACASA-N 0 1 270.804 3.753 20 0 CHADMN CCOc1ncc(Cl)cc1CN(C)C[C@H]1CC1(C)C ZINC001233173698 1132577540 /nfs/dbraw/zinc/57/75/40/1132577540.db2.gz ZZVQLVSXJRRSRL-GFCCVEGCSA-N 0 1 282.815 3.612 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CC2CCC(CC2)C1 ZINC001233173156 1132577873 /nfs/dbraw/zinc/57/78/73/1132577873.db2.gz LXZYVUXDEAZKPU-UHFFFAOYSA-N 0 1 294.826 3.756 20 0 CHADMN Cc1cccc(C)c1Nc1cccc(N2CCN(C)CC2)c1 ZINC001173874471 1132578377 /nfs/dbraw/zinc/57/83/77/1132578377.db2.gz RXQWBMGVEAMTLD-UHFFFAOYSA-N 0 1 295.430 3.799 20 0 CHADMN FC(F)(F)c1cc(CN2C[C@@H]3CCC[C@H]3C2)cs1 ZINC001233174576 1132579056 /nfs/dbraw/zinc/57/90/56/1132579056.db2.gz REKPDRGQATXIJO-QWRGUYRKSA-N 0 1 275.339 3.999 20 0 CHADMN Cc1c[nH]c(=O)c(CN(C)[C@H](C)c2ccccc2Cl)c1 ZINC001233197447 1132580234 /nfs/dbraw/zinc/58/02/34/1132580234.db2.gz GLMKPNHGPPLQDC-GFCCVEGCSA-N 0 1 290.794 3.942 20 0 CHADMN Cc1ccc(Cl)cc1CN1CC[C@@H]2CCCO[C@@H]2C1 ZINC001233248365 1132588166 /nfs/dbraw/zinc/58/81/66/1132588166.db2.gz ISPMDVXVPNUFTC-XJKSGUPXSA-N 0 1 279.811 3.649 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C(C)(C)CC(C)(C)C)c1 ZINC001152947629 1132588148 /nfs/dbraw/zinc/58/81/48/1132588148.db2.gz ZBZGJEHCVLHPHF-UHFFFAOYSA-N 0 1 291.391 3.996 20 0 CHADMN FC(F)(F)[C@@H]1CCC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233261199 1132590344 /nfs/dbraw/zinc/59/03/44/1132590344.db2.gz GQWJJVPPAJWWJO-LLVKDONJSA-N 0 1 275.339 3.750 20 0 CHADMN C[C@@]1(F)CCC[N@@H+](Cc2ccc([S-])cc2)CC1 ZINC001233258726 1132590493 /nfs/dbraw/zinc/59/04/93/1132590493.db2.gz QRPKQRIEWQBRJZ-CQSZACIVSA-N 0 1 253.386 3.689 20 0 CHADMN Cc1cccc2c1C[N@@H+](Cc1ccc([S-])cc1)C2 ZINC001233258983 1132590628 /nfs/dbraw/zinc/59/06/28/1132590628.db2.gz BPXACPTULNOFTD-UHFFFAOYSA-N 0 1 255.386 3.800 20 0 CHADMN [S-]c1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC001233261587 1132590640 /nfs/dbraw/zinc/59/06/40/1132590640.db2.gz VDVSGBCDOWQKCK-MRXNPFEDSA-N 0 1 270.401 3.707 20 0 CHADMN COc1cccc2c1C[N@@H+](Cc1ccc([S-])cc1)CC2 ZINC001233258573 1132590747 /nfs/dbraw/zinc/59/07/47/1132590747.db2.gz KCLGEDCRTRFAQT-UHFFFAOYSA-N 0 1 285.412 3.542 20 0 CHADMN FC(F)(F)[C@H]1CCC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233261200 1132590953 /nfs/dbraw/zinc/59/09/53/1132590953.db2.gz GQWJJVPPAJWWJO-NSHDSACASA-N 0 1 275.339 3.750 20 0 CHADMN [S-]c1ccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)cc1 ZINC001233261242 1132591015 /nfs/dbraw/zinc/59/10/15/1132591015.db2.gz HYWCZGRTSBJNCV-INIZCTEOSA-N 0 1 284.428 3.577 20 0 CHADMN [S-]c1ccc(C[N@H+]2CCCc3ccccc3C2)cc1 ZINC001233261387 1132591117 /nfs/dbraw/zinc/59/11/17/1132591117.db2.gz NJCCRILWGDFXQU-UHFFFAOYSA-N 0 1 269.413 3.924 20 0 CHADMN Cc1ccc(Cl)cc1CN(C)Cc1cccnc1C ZINC001233251275 1132591241 /nfs/dbraw/zinc/59/12/41/1132591241.db2.gz UMRAJDBMLSALPM-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1cc(CN2CCC(c3cccs3)CC2)sn1 ZINC001233311859 1132597182 /nfs/dbraw/zinc/59/71/82/1132597182.db2.gz MCDWVZSNZJBDRO-UHFFFAOYSA-N 0 1 278.446 3.893 20 0 CHADMN CCCCCCN1CCN(Cc2ccc(Cl)o2)CC1 ZINC001233316096 1132599156 /nfs/dbraw/zinc/59/91/56/1132599156.db2.gz MDNCTHCBUYHIIR-UHFFFAOYSA-N 0 1 284.831 3.631 20 0 CHADMN COc1ccc([C@@H]2CCCN2Cc2sncc2C)cc1 ZINC001233320888 1132599853 /nfs/dbraw/zinc/59/98/53/1132599853.db2.gz RKKGRBMNCZOWHQ-HNNXBMFYSA-N 0 1 288.416 3.797 20 0 CHADMN CCCN1CCCC[C@@H]1C(=O)Nc1cccc(SC)c1 ZINC000049519513 1132600264 /nfs/dbraw/zinc/60/02/64/1132600264.db2.gz IYPUZJZTMCEICC-OAHLLOKOSA-N 0 1 292.448 3.612 20 0 CHADMN CC[C@@H](CC(F)(F)F)NC(=O)c1ccc(Cl)c(O)c1 ZINC001153724066 1132600497 /nfs/dbraw/zinc/60/04/97/1132600497.db2.gz RTNWNXOOSHDIHX-QMMMGPOBSA-N 0 1 295.688 3.506 20 0 CHADMN Cc1cc(CCC(=O)N2CCC[C@H](C)c3ccccc32)n[nH]1 ZINC001153859685 1132600890 /nfs/dbraw/zinc/60/08/90/1132600890.db2.gz VYGLDSUOKNVKDF-ZDUSSCGKSA-N 0 1 297.402 3.581 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1cc(O)ccc1Br ZINC000133723209 1132605243 /nfs/dbraw/zinc/60/52/43/1132605243.db2.gz MYXKZPTUFRAEOX-WDEREUQCSA-N 0 1 298.224 3.775 20 0 CHADMN COc1cc(F)c(CN2CCC[C@@](C)(F)CC2)cc1F ZINC001233340765 1132605286 /nfs/dbraw/zinc/60/52/86/1132605286.db2.gz PZOOUJFQEVOCBK-OAHLLOKOSA-N 0 1 287.325 3.688 20 0 CHADMN COc1ccccc1CN(C)Cc1cc2cccnc2s1 ZINC001233348046 1132605992 /nfs/dbraw/zinc/60/59/92/1132605992.db2.gz LYRLAGRHJGXDHT-UHFFFAOYSA-N 0 1 298.411 3.937 20 0 CHADMN COc1cc(F)c(CN2CCC[C@H](C)[C@H]2C)cc1F ZINC001233343651 1132606132 /nfs/dbraw/zinc/60/61/32/1132606132.db2.gz UZRHPDFJFCAEAP-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN CSc1cccc(Cl)c1C[N@H+]1CCC[C@]12CCOC2 ZINC001233353117 1132609904 /nfs/dbraw/zinc/60/99/04/1132609904.db2.gz HPIIQNFUKSFHIL-OAHLLOKOSA-N 0 1 297.851 3.817 20 0 CHADMN CSc1cccc(Cl)c1CN1CCC[C@]12CCOC2 ZINC001233353117 1132609907 /nfs/dbraw/zinc/60/99/07/1132609907.db2.gz HPIIQNFUKSFHIL-OAHLLOKOSA-N 0 1 297.851 3.817 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cnc3cccc(Cl)n23)C[C@H]1C ZINC001233356662 1132609927 /nfs/dbraw/zinc/60/99/27/1132609927.db2.gz UTSBRYGHRXVITB-CHWSQXEVSA-N 0 1 291.826 3.856 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cnc3cccc(Cl)n23)C[C@H]1C ZINC001233356664 1132610246 /nfs/dbraw/zinc/61/02/46/1132610246.db2.gz UTSBRYGHRXVITB-QWHCGFSZSA-N 0 1 291.826 3.856 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1cnc2cccc(Cl)n12 ZINC001233359431 1132610300 /nfs/dbraw/zinc/61/03/00/1132610300.db2.gz WJIQBLSVJRFOTC-NWDGAFQWSA-N 0 1 277.799 3.608 20 0 CHADMN CCC1CCN(Cc2cnc3cccc(Cl)n23)CC1 ZINC001233356509 1132610411 /nfs/dbraw/zinc/61/04/11/1132610411.db2.gz OIBQJTPOGJQZGB-UHFFFAOYSA-N 0 1 277.799 3.610 20 0 CHADMN Nc1cccc(CN2CCCC[C@@H]2c2ccccc2F)n1 ZINC001233371239 1132611332 /nfs/dbraw/zinc/61/13/32/1132611332.db2.gz GWBGYUVTYATIDE-MRXNPFEDSA-N 0 1 285.366 3.530 20 0 CHADMN CCN(Cc1cccs1)Cc1cc(F)c(F)cc1N ZINC001233382160 1132614482 /nfs/dbraw/zinc/61/44/82/1132614482.db2.gz JSBAFMHHMYLVKJ-UHFFFAOYSA-N 0 1 282.359 3.631 20 0 CHADMN Clc1ccn2cc(CN3CC[C@H]4CCC[C@H]4C3)nc2c1 ZINC001233389690 1132614614 /nfs/dbraw/zinc/61/46/14/1132614614.db2.gz UVPBNRLYPWLPIB-OLZOCXBDSA-N 0 1 289.810 3.610 20 0 CHADMN Clc1ccn2cc(CN3CC[C@@H]4CCC[C@H]4C3)nc2c1 ZINC001233389692 1132615588 /nfs/dbraw/zinc/61/55/88/1132615588.db2.gz UVPBNRLYPWLPIB-STQMWFEESA-N 0 1 289.810 3.610 20 0 CHADMN COc1ccc(CN2CCC[C@@H](C)[C@@H]2C)c(Cl)c1O ZINC001233400381 1132615705 /nfs/dbraw/zinc/61/57/05/1132615705.db2.gz GSGMSJJNNRFELZ-MNOVXSKESA-N 0 1 283.799 3.675 20 0 CHADMN Clc1ccn2cc(CN3CCC[C@@H]4CCC[C@@H]43)nc2c1 ZINC001233391319 1132615849 /nfs/dbraw/zinc/61/58/49/1132615849.db2.gz CGQKIKKLFURXMJ-WFASDCNBSA-N 0 1 289.810 3.752 20 0 CHADMN CCCN(Cc1c(F)ccc(O)c1F)[C@@H](C)CC ZINC001233393128 1132616663 /nfs/dbraw/zinc/61/66/63/1132616663.db2.gz DAVDMWZYVLMDJQ-JTQLQIEISA-N 0 1 257.324 3.681 20 0 CHADMN CC(C)(C)OC(=O)n1ccc(CN2CCC(C)(C)C2)c1 ZINC001233432089 1132622900 /nfs/dbraw/zinc/62/29/00/1132622900.db2.gz XJDZKIJKCZGCTR-UHFFFAOYSA-N 0 1 278.396 3.503 20 0 CHADMN FC(F)(F)C1(c2ccc(Nc3ccncc3)cc2)CC1 ZINC001173882333 1132623081 /nfs/dbraw/zinc/62/30/81/1132623081.db2.gz FMSIAOJLDLFFGX-UHFFFAOYSA-N 0 1 278.277 3.841 20 0 CHADMN Fc1cc(Nc2ccncc2)c(Cl)cc1Cl ZINC001173883058 1132623126 /nfs/dbraw/zinc/62/31/26/1132623126.db2.gz DUTDNURBSFCIAF-UHFFFAOYSA-N 0 1 257.095 3.693 20 0 CHADMN FC(F)(F)c1ccc2cc(Nc3ccncc3)cnc2c1 ZINC001173881306 1132623185 /nfs/dbraw/zinc/62/31/85/1132623185.db2.gz MCYWKPZKSGMRID-UHFFFAOYSA-N 0 1 289.260 3.814 20 0 CHADMN FC(F)(F)c1ccc(Cl)c(Nc2ccncc2)c1 ZINC001173882758 1132623242 /nfs/dbraw/zinc/62/32/42/1132623242.db2.gz RWEODBJKUNZWDZ-UHFFFAOYSA-N 0 1 272.657 3.919 20 0 CHADMN Cc1cc(Br)c(Nc2ccncc2)cc1C ZINC001173884460 1132625675 /nfs/dbraw/zinc/62/56/75/1132625675.db2.gz JYJUGQXJYPLMRY-UHFFFAOYSA-N 0 1 277.165 3.626 20 0 CHADMN COc1cc(Cl)c(Cl)cc1Nc1ccncc1 ZINC001173884638 1132625814 /nfs/dbraw/zinc/62/58/14/1132625814.db2.gz OSBWAYVPOVIRRL-UHFFFAOYSA-N 0 1 269.131 3.563 20 0 CHADMN CC(=O)c1ccc(Nc2ccccc2CN(C)C)c(F)c1 ZINC001173932069 1132644753 /nfs/dbraw/zinc/64/47/53/1132644753.db2.gz NKOGKBHTOOMCRU-UHFFFAOYSA-N 0 1 286.350 3.834 20 0 CHADMN Cc1cc(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)sc1C ZINC001233656136 1132656958 /nfs/dbraw/zinc/65/69/58/1132656958.db2.gz RZJMCGXYHWKBAO-CABCVRRESA-N 0 1 277.433 3.699 20 0 CHADMN COc1cc2ccn(-c3ccnc4ccccc43)c2c(N)c1 ZINC001174039522 1132704503 /nfs/dbraw/zinc/70/45/03/1132704503.db2.gz TWLZLIYDSZQCFZ-UHFFFAOYSA-N 0 1 289.338 3.770 20 0 CHADMN CCc1ccc(C)nc1N[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC001206661335 1132710412 /nfs/dbraw/zinc/71/04/12/1132710412.db2.gz UBJBZVCTVOMMIL-LSDHHAIUSA-N 0 1 276.424 3.956 20 0 CHADMN CCc1ccc(C)nc1N[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC001206661332 1132710422 /nfs/dbraw/zinc/71/04/22/1132710422.db2.gz UBJBZVCTVOMMIL-CABCVRRESA-N 0 1 276.424 3.956 20 0 CHADMN CCCCCC[C@@H](C)C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001157118603 1132722406 /nfs/dbraw/zinc/72/24/06/1132722406.db2.gz DCUHLBZSNSTWNV-CYBMUJFWSA-N 0 1 279.428 3.756 20 0 CHADMN CCCCCC[C@H](C)C(=O)Nc1ccc2cncn2c1 ZINC001157395696 1132731391 /nfs/dbraw/zinc/73/13/91/1132731391.db2.gz AIPXGBBSABCZKZ-ZDUSSCGKSA-N 0 1 273.380 3.879 20 0 CHADMN Cc1ccc(N2CCC(c3cccc(O)c3)CC2)nc1C ZINC001157572389 1132735018 /nfs/dbraw/zinc/73/50/18/1132735018.db2.gz VNJPOYGHGRSPTI-UHFFFAOYSA-N 0 1 282.387 3.788 20 0 CHADMN Cc1cc(C)nc(N2CCC(c3ccc(N)cc3)CC2)c1 ZINC001157698289 1132739526 /nfs/dbraw/zinc/73/95/26/1132739526.db2.gz FLOQOPKBKPMMLB-UHFFFAOYSA-N 0 1 281.403 3.665 20 0 CHADMN COc1cc(Nc2cccc3cnccc32)ncc1C ZINC001174136282 1132742926 /nfs/dbraw/zinc/74/29/26/1132742926.db2.gz QRKAZMRQHWRDMI-UHFFFAOYSA-N 0 1 265.316 3.690 20 0 CHADMN Fc1ccc(OCc2ccccc2)c(Nc2ccncc2)c1 ZINC001174119604 1132752963 /nfs/dbraw/zinc/75/29/63/1132752963.db2.gz FORNNEKQXZPCTJ-UHFFFAOYSA-N 0 1 294.329 3.965 20 0 CHADMN Cc1cnc(NCCc2ccc3ccccc3c2)c(N)c1 ZINC001157910321 1132755162 /nfs/dbraw/zinc/75/51/62/1132755162.db2.gz CDIPTFNOJIPZAN-UHFFFAOYSA-N 0 1 277.371 3.780 20 0 CHADMN COc1cc(Nc2ccc3nccn3c2)cc2cccnc21 ZINC001174280145 1132770009 /nfs/dbraw/zinc/77/00/09/1132770009.db2.gz RRGJJLLZAZEYSU-UHFFFAOYSA-N 0 1 290.326 3.635 20 0 CHADMN Cc1ccnc(CCNc2nc(C)cc3ccccc32)c1 ZINC001158433694 1132775333 /nfs/dbraw/zinc/77/53/33/1132775333.db2.gz MZIQQKOGQJGEDV-UHFFFAOYSA-N 0 1 277.371 3.901 20 0 CHADMN Nc1nc2ccccc2n1-c1cccc(N2CCCCC2)c1 ZINC001174301427 1132779611 /nfs/dbraw/zinc/77/96/11/1132779611.db2.gz ZIPQCWMMSYDLAL-UHFFFAOYSA-N 0 1 292.386 3.598 20 0 CHADMN c1cn2cc(Nc3ccc4cccnc4c3)ccc2n1 ZINC001174276790 1132785784 /nfs/dbraw/zinc/78/57/84/1132785784.db2.gz OTCKUWYCAYPOGF-UHFFFAOYSA-N 0 1 260.300 3.626 20 0 CHADMN CCOC(=O)c1cccc(Nc2ccc3nccn3c2)c1C ZINC001174278228 1132786419 /nfs/dbraw/zinc/78/64/19/1132786419.db2.gz ULFGZYVCERNNMS-UHFFFAOYSA-N 0 1 295.342 3.563 20 0 CHADMN Cc1ccc(Nc2ccc3nccn3c2)c(F)c1F ZINC001174277895 1132786701 /nfs/dbraw/zinc/78/67/01/1132786701.db2.gz MMZVTWLINDXQMV-UHFFFAOYSA-N 0 1 259.259 3.665 20 0 CHADMN Fc1ccc2cc(Nc3ccc4nccn4c3)cnc2c1F ZINC001174278896 1132787291 /nfs/dbraw/zinc/78/72/91/1132787291.db2.gz RDJMFGNRMJKOII-UHFFFAOYSA-N 0 1 296.280 3.904 20 0 CHADMN CCOc1ccnc(NCCc2coc3ccccc23)c1 ZINC001158660314 1132788132 /nfs/dbraw/zinc/78/81/32/1132788132.db2.gz ZOWHRZWSIFNWFB-UHFFFAOYSA-N 0 1 282.343 3.881 20 0 CHADMN c1n[nH]c2cccc(Nc3cccc(C4CCC4)n3)c12 ZINC001174342432 1132799266 /nfs/dbraw/zinc/79/92/66/1132799266.db2.gz BCRALFAYBJAHKC-UHFFFAOYSA-N 0 1 264.332 3.969 20 0 CHADMN Cc1cc(Nc2cccc3[nH]ncc32)n(C2CCC2)n1 ZINC001174342410 1132799446 /nfs/dbraw/zinc/79/94/46/1132799446.db2.gz ACHFGCCVPKGYCV-UHFFFAOYSA-N 0 1 267.336 3.536 20 0 CHADMN c1n[nH]c2cccc(Nc3cnc(-c4ccccc4)cn3)c12 ZINC001174342716 1132799923 /nfs/dbraw/zinc/79/99/23/1132799923.db2.gz LRJXJTFFIIGASS-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN CC(=O)c1ccsc1Nc1cccc2[nH]ncc21 ZINC001174342571 1132799990 /nfs/dbraw/zinc/79/99/90/1132799990.db2.gz BXODWRYMKOQCAD-UHFFFAOYSA-N 0 1 257.318 3.571 20 0 CHADMN Clc1cccc2nc(Nc3cccc4[nH]ncc43)cn21 ZINC001174342880 1132800199 /nfs/dbraw/zinc/80/01/99/1132800199.db2.gz HTSFQGKPCLQCDT-UHFFFAOYSA-N 0 1 283.722 3.608 20 0 CHADMN Fc1cc(F)c(Nc2cccc3[nH]ncc32)cc1F ZINC001174344314 1132800658 /nfs/dbraw/zinc/80/06/58/1132800658.db2.gz UMRVTTLJLXEVQD-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN Cc1cc(C)c(N)c(Nc2cccc3[nH]ncc32)c1 ZINC001174344409 1132801212 /nfs/dbraw/zinc/80/12/12/1132801212.db2.gz ZBLUNKINTPETFU-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN Oc1ccc2ncc(Nc3cccc4[nH]ncc43)cc2c1 ZINC001174343358 1132801516 /nfs/dbraw/zinc/80/15/16/1132801516.db2.gz MLVVSMNMQHTZLF-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN Fc1cccc(-n2nccc2Nc2cccc3[nH]ncc32)c1 ZINC001174343299 1132802150 /nfs/dbraw/zinc/80/21/50/1132802150.db2.gz PGXTXWJGETYIBH-UHFFFAOYSA-N 0 1 293.305 3.631 20 0 CHADMN Cc1cc(Nc2cccc3[nH]ncc32)n(-c2ccccc2)n1 ZINC001174342952 1132802158 /nfs/dbraw/zinc/80/21/58/1132802158.db2.gz XBWFANQRHYLWSM-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN COc1cc(C)ccc1Nc1cccc2[nH]ncc21 ZINC001174343625 1132802171 /nfs/dbraw/zinc/80/21/71/1132802171.db2.gz CVWMUEBWFOITBJ-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Fc1ccc2cc(Nc3cccc4[nH]ncc43)cnc2c1 ZINC001174343487 1132802521 /nfs/dbraw/zinc/80/25/21/1132802521.db2.gz SVNNYAPODWSPHC-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Fc1ccc(Nc2cccc3[nH]ncc32)c2ncccc12 ZINC001174345654 1132803579 /nfs/dbraw/zinc/80/35/79/1132803579.db2.gz LJLIOPNWJGIQOE-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN O[C@H]1CCCc2ccc(Nc3cccc4[nH]ncc43)cc21 ZINC001174344795 1132804018 /nfs/dbraw/zinc/80/40/18/1132804018.db2.gz DKBDXCFLTMSXHY-KRWDZBQOSA-N 0 1 279.343 3.676 20 0 CHADMN Cc1ccnc(NCC[C@@H]2CCc3ccc4c(c32)CCO4)c1 ZINC001159075481 1132804610 /nfs/dbraw/zinc/80/46/10/1132804610.db2.gz PPMGTMUUCKGZAL-HNNXBMFYSA-N 0 1 294.398 3.857 20 0 CHADMN c1ncc(-c2ccccc2Nc2cccc3[nH]ncc32)o1 ZINC001174345525 1132805022 /nfs/dbraw/zinc/80/50/22/1132805022.db2.gz GMCMGHBQYFSZIA-UHFFFAOYSA-N 0 1 276.299 3.962 20 0 CHADMN COC(=O)[C@H](C)c1ccc(Nc2cccc3[nH]ncc32)cc1 ZINC001174346607 1132805527 /nfs/dbraw/zinc/80/55/27/1132805527.db2.gz AOASGDUSIVSDTQ-LLVKDONJSA-N 0 1 295.342 3.583 20 0 CHADMN COc1ccc2ccc(Nc3cccc4[nH]ncc43)cc2n1 ZINC001174347879 1132806170 /nfs/dbraw/zinc/80/61/70/1132806170.db2.gz OIKOMVZWDCBDAR-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN Cc1cc(F)nc(NC2=CCCN(Cc3ccccc3)C2)c1 ZINC001174397047 1132811983 /nfs/dbraw/zinc/81/19/83/1132811983.db2.gz LHXLRGBCSPPVSU-UHFFFAOYSA-N 0 1 297.377 3.731 20 0 CHADMN Cc1cccc(C)c1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159307843 1132828033 /nfs/dbraw/zinc/82/80/33/1132828033.db2.gz FHXSBHFOPGSPGF-ZDUSSCGKSA-N 0 1 271.364 3.850 20 0 CHADMN Cc1ccccc1Nc1cc([C@H]2CCCCN2)no1 ZINC001159308970 1132828239 /nfs/dbraw/zinc/82/82/39/1132828239.db2.gz PFUCQQROWINYQK-CYBMUJFWSA-N 0 1 257.337 3.541 20 0 CHADMN COc1cc(Nc2cc([C@@H]3CCCCN3)no2)ccc1C ZINC001159308080 1132828450 /nfs/dbraw/zinc/82/84/50/1132828450.db2.gz GHLSKXOYWBLKBH-ZDUSSCGKSA-N 0 1 287.363 3.550 20 0 CHADMN Cc1ccc(C)c(Nc2cc([C@H]3CCCCN3)no2)c1 ZINC001159309313 1132828520 /nfs/dbraw/zinc/82/85/20/1132828520.db2.gz SLZWRZNDOSLPEH-CYBMUJFWSA-N 0 1 271.364 3.850 20 0 CHADMN Clc1nc2ccccc2nc1Nc1ccc2cn[nH]c2c1 ZINC001174497725 1132863836 /nfs/dbraw/zinc/86/38/36/1132863836.db2.gz HBEHZBKWKSZQMR-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Oc1cc(Cl)ccc1Nc1cccc2[nH]ncc21 ZINC001159574355 1132865009 /nfs/dbraw/zinc/86/50/09/1132865009.db2.gz DEOPXNHFLOMHSS-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN CCOc1ccc(F)c(Nc2cccc3[nH]ncc32)c1F ZINC001159574438 1132865196 /nfs/dbraw/zinc/86/51/96/1132865196.db2.gz RNBXLJFJJCXTTN-UHFFFAOYSA-N 0 1 289.285 3.983 20 0 CHADMN Cn1c(Nc2ccc3c[nH]nc3c2)cc2ccccc21 ZINC001174499395 1132866597 /nfs/dbraw/zinc/86/65/97/1132866597.db2.gz UUUVIVORBGCMGV-UHFFFAOYSA-N 0 1 262.316 3.798 20 0 CHADMN c1[nH]nc2cc(Nc3cccc4cnccc43)ccc12 ZINC001174499403 1132866775 /nfs/dbraw/zinc/86/67/75/1132866775.db2.gz VABCFUALMFYMGM-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN Cc1sccc1Nc1cccc(N2CCN(C)CC2)c1 ZINC001174459577 1132870144 /nfs/dbraw/zinc/87/01/44/1132870144.db2.gz AGPQHYMNMQKEHP-UHFFFAOYSA-N 0 1 287.432 3.552 20 0 CHADMN Nc1ccc(Nc2ccncc2Oc2ccccc2)c(F)c1 ZINC001174479536 1132884559 /nfs/dbraw/zinc/88/45/59/1132884559.db2.gz IQRWZZSIWLEZPC-UHFFFAOYSA-N 0 1 295.317 3.761 20 0 CHADMN Fc1cc(F)c(Nc2ccc3c[nH]nc3c2)c(F)c1 ZINC001174500087 1132886526 /nfs/dbraw/zinc/88/65/26/1132886526.db2.gz JNKJMTMTHRAUFD-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN COc1c(C)cc(C)cc1Nc1ccc2c[nH]nc2c1 ZINC001159662925 1132886670 /nfs/dbraw/zinc/88/66/70/1132886670.db2.gz LSOJOZSZAZNWEL-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN [O-]c1cc(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)cc(F)c1F ZINC001159670829 1132886776 /nfs/dbraw/zinc/88/67/76/1132886776.db2.gz KCQIPBWYFRGBEF-AWEZNQCLSA-N 0 1 290.313 3.839 20 0 CHADMN CCOc1ccc(Nc2ccc3c[nH]nc3c2)c(OC)c1 ZINC001159662734 1132886961 /nfs/dbraw/zinc/88/69/61/1132886961.db2.gz BLRJSMDWYMPXPH-UHFFFAOYSA-N 0 1 283.331 3.714 20 0 CHADMN c1[nH]nc2cc(Nc3cccc(OC4CC4)c3)ccc12 ZINC001159663341 1132888048 /nfs/dbraw/zinc/88/80/48/1132888048.db2.gz WWIMOEDYIJESIR-UHFFFAOYSA-N 0 1 265.316 3.848 20 0 CHADMN [NH3+]C1(c2ccc(Nc3cc(F)c([O-])cc3F)cc2)CCC1 ZINC001159728000 1132900272 /nfs/dbraw/zinc/90/02/72/1132900272.db2.gz FRWNCMZXMWYOMC-UHFFFAOYSA-N 0 1 290.313 3.752 20 0 CHADMN Fc1ccc(Nc2ccc3c[nH]nc3c2)c2ncccc12 ZINC001174501343 1132902418 /nfs/dbraw/zinc/90/24/18/1132902418.db2.gz OAJRBVYKTZUSGL-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Fc1cc(F)c(F)c(Nc2ccc3cn[nH]c3c2)c1F ZINC001174500756 1132902467 /nfs/dbraw/zinc/90/24/67/1132902467.db2.gz XDFVLRKSDYCPCG-UHFFFAOYSA-N 0 1 281.212 3.863 20 0 CHADMN COc1cc(F)c(Nc2ccc3c[nH]nc3c2)c(F)c1 ZINC001174501900 1132903134 /nfs/dbraw/zinc/90/31/34/1132903134.db2.gz MLQBLUAMPOZJLG-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN c1[nH]nc2cc(Nc3cccc4ccncc43)ccc12 ZINC001174502096 1132903170 /nfs/dbraw/zinc/90/31/70/1132903170.db2.gz SREJLQOADUWPEB-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN CCCOC(=O)c1ccc(Nc2ccc3c[nH]nc3c2)cc1 ZINC001174501357 1132903356 /nfs/dbraw/zinc/90/33/56/1132903356.db2.gz PAROKQSQJQOVOG-UHFFFAOYSA-N 0 1 295.342 3.873 20 0 CHADMN CCc1ccc(O)c(Nc2ccc3c[nH]nc3c2)c1 ZINC001174502269 1132904421 /nfs/dbraw/zinc/90/44/21/1132904421.db2.gz XOVHEAQZVHOSLO-UHFFFAOYSA-N 0 1 253.305 3.575 20 0 CHADMN Cc1c(Cl)cc(NC2=C[NH2+]CCC2)c([O-])c1Cl ZINC001159790394 1132909254 /nfs/dbraw/zinc/90/92/54/1132909254.db2.gz ZAJRTIOWCGXZTD-UHFFFAOYSA-N 0 1 273.163 3.644 20 0 CHADMN Oc1ccc2c(c1)C[C@@H](Nc1ccc3c(n1)CCCC3)CC2 ZINC001159893332 1132919533 /nfs/dbraw/zinc/91/95/33/1132919533.db2.gz YJQOVVXRSBMEOY-INIZCTEOSA-N 0 1 294.398 3.635 20 0 CHADMN CC(C)Oc1cnc(F)c(Nc2ccc3nc[nH]c3c2)c1 ZINC001160224437 1132949149 /nfs/dbraw/zinc/94/91/49/1132949149.db2.gz QULPPQNAYXZFFV-UHFFFAOYSA-N 0 1 286.310 3.628 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2c1CCN2 ZINC001160278897 1132956827 /nfs/dbraw/zinc/95/68/27/1132956827.db2.gz ZQBKRFWKLFBVAP-UHFFFAOYSA-N 0 1 264.332 3.583 20 0 CHADMN CC(C)(C)c1coc(CN2CCC[C@H](C3CCC3)C2)n1 ZINC001174705595 1132960603 /nfs/dbraw/zinc/96/06/03/1132960603.db2.gz XBBBAQPYYFIWBV-AWEZNQCLSA-N 0 1 276.424 3.984 20 0 CHADMN Cc1cnc(N[C@H](c2ccccc2)C2(O)CCC2)cc1C ZINC001160543570 1132974302 /nfs/dbraw/zinc/97/43/02/1132974302.db2.gz MFCHJBBZGAXKEI-QGZVFWFLSA-N 0 1 282.387 3.767 20 0 CHADMN CC[C@H](C)C1CCC(Nc2ncc3nc(C)[nH]c3n2)CC1 ZINC001160667252 1132977538 /nfs/dbraw/zinc/97/75/38/1132977538.db2.gz JNIQOVWCQVHCNV-PKSQDBQZSA-N 0 1 287.411 3.630 20 0 CHADMN Cc1cnc(NCCc2c[nH]c3ccccc23)c(C)c1 ZINC001160775608 1132981052 /nfs/dbraw/zinc/98/10/52/1132981052.db2.gz LUIFFUYNVQQBQK-UHFFFAOYSA-N 0 1 265.360 3.834 20 0 CHADMN Cc1cccc(C(=O)Nc2ccc(F)c(F)c2O)c1C ZINC001161067075 1132992132 /nfs/dbraw/zinc/99/21/32/1132992132.db2.gz GYRHRMYJYSPDPC-UHFFFAOYSA-N 0 1 277.270 3.540 20 0 CHADMN CCC1(C(=O)Nc2ccc(F)c(F)c2O)CCCCC1 ZINC001161068348 1132992437 /nfs/dbraw/zinc/99/24/37/1132992437.db2.gz ZEQKKRAFUSRLCZ-UHFFFAOYSA-N 0 1 283.318 3.969 20 0 CHADMN CCC(=O)Nc1cc(N[C@@H](C)CCc2ccccc2)ccn1 ZINC001161617054 1133009550 /nfs/dbraw/zinc/00/95/50/1133009550.db2.gz VGVOCZMNSAMJJV-AWEZNQCLSA-N 0 1 297.402 3.863 20 0 CHADMN Cc1cccc(C(C)(C)CNc2ccc3c(n2)CCC3)n1 ZINC001161638566 1133012543 /nfs/dbraw/zinc/01/25/43/1133012543.db2.gz QRVCJUAIJATYRH-UHFFFAOYSA-N 0 1 281.403 3.663 20 0 CHADMN Cc1ccc(CNc2cc(OC(C)(C)C)ccn2)o1 ZINC001161771637 1133027344 /nfs/dbraw/zinc/02/73/44/1133027344.db2.gz YVYHCBZGPMOMTK-UHFFFAOYSA-N 0 1 260.337 3.772 20 0 CHADMN Cc1cnc(N[C@@H](c2ccnc(F)c2)C2CC2)cc1C ZINC001161847805 1133036788 /nfs/dbraw/zinc/03/67/88/1133036788.db2.gz VYGIGGQQLQXRFQ-MRXNPFEDSA-N 0 1 271.339 3.796 20 0 CHADMN CSc1cc(C)ccc1NC(=O)c1cccc2nc[nH]c21 ZINC001162052178 1133050094 /nfs/dbraw/zinc/05/00/94/1133050094.db2.gz FRQNOOBDBLJDJN-UHFFFAOYSA-N 0 1 297.383 3.846 20 0 CHADMN Cc1cnc(NC(C)(C)Cc2cccnc2)cc1C ZINC001162241530 1133063174 /nfs/dbraw/zinc/06/31/74/1133063174.db2.gz MHBGJFXPAIMYEY-UHFFFAOYSA-N 0 1 255.365 3.527 20 0 CHADMN Cc1nc2ccc(NC[C@@H]3CCCC[C@@H]3C)nc2[nH]1 ZINC001162524456 1133087336 /nfs/dbraw/zinc/08/73/36/1133087336.db2.gz HAPVQCAQYXZEAW-JQWIXIFHSA-N 0 1 258.369 3.505 20 0 CHADMN CC(C)(Nc1cc(OCC(F)(F)F)ccn1)C1CC1 ZINC001162524584 1133087951 /nfs/dbraw/zinc/08/79/51/1133087951.db2.gz NXWPBNNWXKWDMB-UHFFFAOYSA-N 0 1 274.286 3.623 20 0 CHADMN Cc1cc2ccccc2c(NC[C@@H]2COc3cnccc32)n1 ZINC001162573067 1133092752 /nfs/dbraw/zinc/09/27/52/1133092752.db2.gz CZCBEYMJNWZVID-CQSZACIVSA-N 0 1 291.354 3.526 20 0 CHADMN CC(C)(C)C(=N)Nc1cccc(Cc2ccncc2)n1 ZINC001162660467 1133102015 /nfs/dbraw/zinc/10/20/15/1133102015.db2.gz LKCGSWYXHIBETB-UHFFFAOYSA-N 0 1 268.364 3.503 20 0 CHADMN Cc1cc(F)ccc1CCNc1ccncc1C(F)(F)F ZINC001162743608 1133107963 /nfs/dbraw/zinc/10/79/63/1133107963.db2.gz RUIZSKALGRPQFN-UHFFFAOYSA-N 0 1 298.283 3.624 20 0 CHADMN CCOc1ccnc(N[C@@H]2CCc3c2c(F)ccc3F)c1 ZINC001162932351 1133123047 /nfs/dbraw/zinc/12/30/47/1133123047.db2.gz OXKQHNUZHLOMQA-CQSZACIVSA-N 0 1 290.313 3.858 20 0 CHADMN Oc1cccc2c1CC[C@@H]2Nc1ccc2c(n1)CCCC2 ZINC001163193880 1133135133 /nfs/dbraw/zinc/13/51/33/1133135133.db2.gz JMPADNHPGMYPIG-INIZCTEOSA-N 0 1 280.371 3.765 20 0 CHADMN Cc1cc2ccccc2c(N[C@@H](C)[C@@H]2CCCO2)n1 ZINC001163480050 1133151974 /nfs/dbraw/zinc/15/19/74/1133151974.db2.gz DIWXXVJCMROCAC-WFASDCNBSA-N 0 1 256.349 3.523 20 0 CHADMN Cc1cc(C)cc(CNc2ccnc3c2ccn3C)c1 ZINC001163753534 1133172172 /nfs/dbraw/zinc/17/21/72/1133172172.db2.gz VHSBCPYCNPKULP-UHFFFAOYSA-N 0 1 265.360 3.802 20 0 CHADMN CC[C@@H](C)CCCCC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC001163930871 1133184419 /nfs/dbraw/zinc/18/44/19/1133184419.db2.gz YFAXRNOKDLRCFJ-HZPDHXFCSA-N 0 1 296.499 3.782 20 0 CHADMN CCC[C@](C)(CC)C(=O)N1CCN(C(C)(C)CC)CC1 ZINC001164084786 1133196993 /nfs/dbraw/zinc/19/69/93/1133196993.db2.gz RTJIMHVQLARZSD-KRWDZBQOSA-N 0 1 282.472 3.536 20 0 CHADMN Cc1ccc(N2CC[C@@H](C)C(F)(F)CC2)nc1C ZINC001164109932 1133197785 /nfs/dbraw/zinc/19/77/85/1133197785.db2.gz DNQYTSGETZYFBJ-LLVKDONJSA-N 0 1 254.324 3.570 20 0 CHADMN Cc1cnc(N2CC[C@H](C)C(F)(F)CC2)cc1C ZINC001164118209 1133198475 /nfs/dbraw/zinc/19/84/75/1133198475.db2.gz PNPGRIYHKYDWNS-LBPRGKRZSA-N 0 1 254.324 3.570 20 0 CHADMN CC[C@@H](Nc1nccnc1CN)c1cccc2ccccc21 ZINC001164165053 1133201929 /nfs/dbraw/zinc/20/19/29/1133201929.db2.gz PFLFDBGNUUYYDF-MRXNPFEDSA-N 0 1 292.386 3.652 20 0 CHADMN CC(C)c1ncc(CNc2cc(C3CC3)nc(C3CC3)n2)[nH]1 ZINC001164226108 1133208050 /nfs/dbraw/zinc/20/80/50/1133208050.db2.gz NWSQZWJORHIBTA-UHFFFAOYSA-N 0 1 297.406 3.690 20 0 CHADMN Fc1cc2[nH]cnc2cc1NCCSCc1ccco1 ZINC001164228578 1133208926 /nfs/dbraw/zinc/20/89/26/1133208926.db2.gz SNFDCBWGLKSPOU-UHFFFAOYSA-N 0 1 291.351 3.640 20 0 CHADMN FC(F)(F)c1cnccc1NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001164380006 1133216732 /nfs/dbraw/zinc/21/67/32/1133216732.db2.gz QQDTYUPBVWEXIM-NWDGAFQWSA-N 0 1 284.325 3.761 20 0 CHADMN CCc1ccc(CN2Cc3ccccc3[C@H](C)C2)o1 ZINC001204389885 1133217059 /nfs/dbraw/zinc/21/70/59/1133217059.db2.gz XXEVFHOCHKTGCX-CYBMUJFWSA-N 0 1 255.361 3.961 20 0 CHADMN CCCCN1C(=O)N=NC1SC[C@H](C)CC(C)C ZINC001164547927 1133222911 /nfs/dbraw/zinc/22/29/11/1133222911.db2.gz UFWILCGFVKACMY-LLVKDONJSA-N 0 1 271.430 3.558 20 0 CHADMN CCOc1ccc2nc(SC/C=C(\C)COC)[nH]c2c1 ZINC001164584251 1133224697 /nfs/dbraw/zinc/22/46/97/1133224697.db2.gz XBJBGEULAHLUKX-YRNVUSSQSA-N 0 1 292.404 3.646 20 0 CHADMN CC(C)(C)c1ccc(CN2CCOCC23CCC3)cc1 ZINC001204398897 1133260363 /nfs/dbraw/zinc/26/03/63/1133260363.db2.gz NICCDRUPVCXQSQ-UHFFFAOYSA-N 0 1 273.420 3.739 20 0 CHADMN CCCOC1CCN(Cc2ccccc2Cl)CC1 ZINC001203382649 1133264727 /nfs/dbraw/zinc/26/47/27/1133264727.db2.gz AFIOSXAWBJEJOA-UHFFFAOYSA-N 0 1 267.800 3.731 20 0 CHADMN CC(CC(=O)OC(C)C)=Nc1nccc2cc(F)ccc21 ZINC001166728477 1133284174 /nfs/dbraw/zinc/28/41/74/1133284174.db2.gz LRIGPFBUYLZHQD-FLIBITNWSA-N 0 1 288.322 3.641 20 0 CHADMN CCCN(Cc1cc(CC)no1)Cc1ccccc1 ZINC001203219015 1133306379 /nfs/dbraw/zinc/30/63/79/1133306379.db2.gz KQDRNBZJSNDNRJ-UHFFFAOYSA-N 0 1 258.365 3.649 20 0 CHADMN Cn1cccc1CN1CCC[C@H]1c1ccccc1F ZINC001203263513 1133308848 /nfs/dbraw/zinc/30/88/48/1133308848.db2.gz GDYVFAPQIQMSDJ-INIZCTEOSA-N 0 1 258.340 3.501 20 0 CHADMN Fc1cc(CNCc2cc(Cl)cc(Cl)c2)ccn1 ZINC001203290180 1133310501 /nfs/dbraw/zinc/31/05/01/1133310501.db2.gz WTOFOAIBSOSEKY-UHFFFAOYSA-N 0 1 285.149 3.817 20 0 CHADMN Brc1ccccc1CN1CCCC12CC2 ZINC001203319337 1133315246 /nfs/dbraw/zinc/31/52/46/1133315246.db2.gz UMJRIOQPKFWYKK-UHFFFAOYSA-N 0 1 266.182 3.578 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2ccccc2F)cn1 ZINC001203357498 1133317327 /nfs/dbraw/zinc/31/73/27/1133317327.db2.gz NVULAWKKULOPDW-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CCCCOC(=O)[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001203388269 1133321592 /nfs/dbraw/zinc/32/15/92/1133321592.db2.gz RFFMZSWWKVGJFG-CQSZACIVSA-N 0 1 295.810 3.505 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccc(F)n1 ZINC001203519478 1133334782 /nfs/dbraw/zinc/33/47/82/1133334782.db2.gz HOKYZRLEMURFEL-UHFFFAOYSA-N 0 1 269.279 3.521 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cnccc1C ZINC001203519500 1133335046 /nfs/dbraw/zinc/33/50/46/1133335046.db2.gz IQEKTPKKLJXCGU-UHFFFAOYSA-N 0 1 265.316 3.690 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(OC)c(O)c1 ZINC001203524907 1133336120 /nfs/dbraw/zinc/33/61/20/1133336120.db2.gz HDRJSVYTTBSJLI-UHFFFAOYSA-N 0 1 296.326 3.701 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1c(F)cccc1CO ZINC001203528801 1133337291 /nfs/dbraw/zinc/33/72/91/1133337291.db2.gz XDHXQACIMJFYTG-UHFFFAOYSA-N 0 1 298.317 3.618 20 0 CHADMN COc1cc(CNc2ccc3c(n2)CCCC3)ccc1C ZINC001203572528 1133341710 /nfs/dbraw/zinc/34/17/10/1133341710.db2.gz OVVWHAZPHGEDTC-UHFFFAOYSA-N 0 1 282.387 3.890 20 0 CHADMN FC(F)(F)c1ccccc1CN1CC[C@]2(C1)CCCCO2 ZINC001203687575 1133353952 /nfs/dbraw/zinc/35/39/52/1133353952.db2.gz TUFCXMSOAPAHLS-HNNXBMFYSA-N 0 1 299.336 3.850 20 0 CHADMN Cc1ccccc1CN1CCCC(F)(F)[C@@H](F)C1 ZINC001203700125 1133354895 /nfs/dbraw/zinc/35/48/95/1133354895.db2.gz HOUTXEAGRMIFJT-ZDUSSCGKSA-N 0 1 257.299 3.564 20 0 CHADMN COc1ccc(CN2CCC[C@](C)(F)C2)c(C)c1C ZINC001203717305 1133358762 /nfs/dbraw/zinc/35/87/62/1133358762.db2.gz SWQSOWXHQSLKGV-INIZCTEOSA-N 0 1 265.372 3.636 20 0 CHADMN Cc1cc(C)c(CN2CCc3ncccc3C2)c(C)c1 ZINC001203745428 1133364259 /nfs/dbraw/zinc/36/42/59/1133364259.db2.gz VWHNGTGTXLSPOO-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN Cc1ccc(C)c(CN2CCc3ncc(C)cc3C2)c1 ZINC001203751773 1133365663 /nfs/dbraw/zinc/36/56/63/1133365663.db2.gz MSLZPLDAAOSXGL-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cccc(F)c2)CCC1(F)F ZINC001203784268 1133368190 /nfs/dbraw/zinc/36/81/90/1133368190.db2.gz QQHRWVIJKGFEBB-NSHDSACASA-N 0 1 257.299 3.693 20 0 CHADMN C[C@]1(O)CCCCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC001203808041 1133370534 /nfs/dbraw/zinc/37/05/34/1133370534.db2.gz BQWUHBFWSFHYAN-AWEZNQCLSA-N 0 1 288.218 3.730 20 0 CHADMN C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cc(Cl)cc(Cl)c1 ZINC001203809012 1133371476 /nfs/dbraw/zinc/37/14/76/1133371476.db2.gz ULFIXZHBMNPUQV-WDEREUQCSA-N 0 1 287.234 3.518 20 0 CHADMN C[C@@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CCN1C ZINC001203816141 1133373518 /nfs/dbraw/zinc/37/35/18/1133373518.db2.gz YIMQDQWSMUJEIC-MRXNPFEDSA-N 0 1 296.414 3.615 20 0 CHADMN Oc1cccc(CN2CCC[C@H]2c2ccccc2F)c1 ZINC001203862229 1133376899 /nfs/dbraw/zinc/37/68/99/1133376899.db2.gz CGDRYIRJPZAVCU-KRWDZBQOSA-N 0 1 271.335 3.868 20 0 CHADMN O=C1CCC[C@@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@@H]12 ZINC001203887776 1133379298 /nfs/dbraw/zinc/37/92/98/1133379298.db2.gz OXJOOUODUHGUSX-TZMCWYRMSA-N 0 1 297.320 3.506 20 0 CHADMN COC[C@@H]1CCCCN1Cc1cccc(C(F)(F)F)c1 ZINC001203885474 1133380161 /nfs/dbraw/zinc/38/01/61/1133380161.db2.gz NMNWZEZQVICFCT-AWEZNQCLSA-N 0 1 287.325 3.706 20 0 CHADMN Clc1ccc(CN2CCC(c3ncccn3)CC2)cc1 ZINC001203921269 1133384575 /nfs/dbraw/zinc/38/45/75/1133384575.db2.gz KAQVDDZWDTZXRA-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN COc1ccc2ccccc2c1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001203987441 1133394554 /nfs/dbraw/zinc/39/45/54/1133394554.db2.gz XLNUYIYRIVWPNG-JLJPHGGASA-N 0 1 285.362 3.638 20 0 CHADMN COc1ccc(CN(C)Cc2cncs2)c2ccccc12 ZINC001203994226 1133396444 /nfs/dbraw/zinc/39/64/44/1133396444.db2.gz BXLOJRIHIGPNCY-UHFFFAOYSA-N 0 1 298.411 3.937 20 0 CHADMN F[C@H]1CCCN(Cc2cc(Br)cs2)CC1 ZINC001204024224 1133400995 /nfs/dbraw/zinc/40/09/95/1133400995.db2.gz WDCKCTGGPZBTHG-JTQLQIEISA-N 0 1 292.217 3.835 20 0 CHADMN c1csc(CN2CC3(CC(OCc4ccccc4)C3)C2)c1 ZINC001204018344 1133400133 /nfs/dbraw/zinc/40/01/33/1133400133.db2.gz MWNHVJPMSRCGEV-UHFFFAOYSA-N 0 1 299.439 3.929 20 0 CHADMN O=C1CCN(Cc2ccnc3ccccc23)[C@@H]2CCCC[C@H]12 ZINC001204085939 1133406466 /nfs/dbraw/zinc/40/64/66/1133406466.db2.gz VCIKVQKAXLUCFI-FUHWJXTLSA-N 0 1 294.398 3.568 20 0 CHADMN COc1cc(CN2CCCC[C@H]2c2cccnc2)ccc1O ZINC001204116169 1133407986 /nfs/dbraw/zinc/40/79/86/1133407986.db2.gz MZFIPCKGBCKJFJ-INIZCTEOSA-N 0 1 298.386 3.523 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC001204157044 1133411463 /nfs/dbraw/zinc/41/14/63/1133411463.db2.gz PQYLDSHBZZZMOE-UHFFFAOYSA-N 0 1 293.366 3.674 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC001204155073 1133411640 /nfs/dbraw/zinc/41/16/40/1133411640.db2.gz SPVYXYYUFMIPKK-UHFFFAOYSA-N 0 1 299.414 3.785 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1ccc(C(C)C)cc1)C2 ZINC001204168534 1133413033 /nfs/dbraw/zinc/41/30/33/1133413033.db2.gz RFJLQCYZZMIZTN-IRXDYDNUSA-N 0 1 259.393 3.563 20 0 CHADMN CCN(Cc1ccoc1)Cc1cc2ccccc2n1C ZINC001204188625 1133417616 /nfs/dbraw/zinc/41/76/16/1133417616.db2.gz VJPZQXGRQHVQJO-UHFFFAOYSA-N 0 1 268.360 3.793 20 0 CHADMN Fc1cc(F)cc(CN2CCC3(CC(F)C3)CC2)c1 ZINC001204228442 1133421055 /nfs/dbraw/zinc/42/10/55/1133421055.db2.gz PXYCRDAWXUOJSJ-UHFFFAOYSA-N 0 1 269.310 3.679 20 0 CHADMN CC[C@@H]1CCCCCN1Cc1c(F)ccc(O)c1F ZINC001204298494 1133432855 /nfs/dbraw/zinc/43/28/55/1133432855.db2.gz GVNAZWACOPCRFH-LLVKDONJSA-N 0 1 269.335 3.825 20 0 CHADMN CCCOc1ccc(CN2CCC[C@@](C)(F)C2)cc1 ZINC001204305405 1133433961 /nfs/dbraw/zinc/43/39/61/1133433961.db2.gz IZHKRVMJZNNTJY-MRXNPFEDSA-N 0 1 265.372 3.799 20 0 CHADMN CCCOc1ccc(CN(C)Cc2cccnc2C)cc1 ZINC001204310366 1133434392 /nfs/dbraw/zinc/43/43/92/1133434392.db2.gz NMMIWCZLJHXPMJ-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN F[C@H]1CCCCN(Cc2ccc3ccccc3n2)C1 ZINC001204499657 1133453925 /nfs/dbraw/zinc/45/39/25/1133453925.db2.gz LSWAJLSGUUDHKH-AWEZNQCLSA-N 0 1 258.340 3.559 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccncc2)oc1C ZINC001204535822 1133459786 /nfs/dbraw/zinc/45/97/86/1133459786.db2.gz ZFKUYZMZEJZNMZ-MRXNPFEDSA-N 0 1 256.349 3.629 20 0 CHADMN COc1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC001204543180 1133461357 /nfs/dbraw/zinc/46/13/57/1133461357.db2.gz MFEDOJOFCMMWPA-JKSUJKDBSA-N 0 1 295.423 3.694 20 0 CHADMN C[C@@H]1CN(Cc2cc(Cl)ccc2Cl)CCC[C@H]1O ZINC001204562765 1133462926 /nfs/dbraw/zinc/46/29/26/1133462926.db2.gz QMRLDSOMSDUVEH-QMTHXVAHSA-N 0 1 288.218 3.586 20 0 CHADMN CCCC[N@@H+](Cc1[nH]cnc1C)Cc1ccccc1 ZINC001204588887 1133464411 /nfs/dbraw/zinc/46/44/11/1133464411.db2.gz NUMOWZXXXUNMSK-UHFFFAOYSA-N 0 1 257.381 3.520 20 0 CHADMN CC(C)C[C@@H](C)CN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001204834105 1133490584 /nfs/dbraw/zinc/49/05/84/1133490584.db2.gz URGXFOCCUQQTKL-RHSMWYFYSA-N 0 1 279.399 3.881 20 0 CHADMN CC(C)C[C@H]1COCCN1Cc1ccc(C2CC2)cc1 ZINC001204875594 1133495149 /nfs/dbraw/zinc/49/51/49/1133495149.db2.gz NZHDASKKRHPQEK-SFHVURJKSA-N 0 1 273.420 3.811 20 0 CHADMN CCC(CC)CO[C@@H]1CC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001204938991 1133503667 /nfs/dbraw/zinc/50/36/67/1133503667.db2.gz LYIIYPPOMIMPFJ-GOEBONIOSA-N 0 1 276.424 3.670 20 0 CHADMN Oc1ccc(-c2cccn3cncc23)c(C(F)(F)F)c1 ZINC001205097858 1133528892 /nfs/dbraw/zinc/52/88/92/1133528892.db2.gz KCLTZOUKZMPNPJ-UHFFFAOYSA-N 0 1 278.233 3.726 20 0 CHADMN Cc1nc2c[nH]cc(-c3ccc(O)cc3C(F)(F)F)c-2n1 ZINC001205098187 1133529207 /nfs/dbraw/zinc/52/92/07/1133529207.db2.gz OKZTXPNKQQKLBI-UHFFFAOYSA-N 0 1 293.248 3.658 20 0 CHADMN Cc1nc2c(cncc2-c2ccc(O)cc2C(F)(F)F)[nH]1 ZINC001205098187 1133529211 /nfs/dbraw/zinc/52/92/11/1133529211.db2.gz OKZTXPNKQQKLBI-UHFFFAOYSA-N 0 1 293.248 3.658 20 0 CHADMN COc1ccc(OCC[N@@H+](C)Cc2csc(C)c2)cc1 ZINC001205123276 1133533653 /nfs/dbraw/zinc/53/36/53/1133533653.db2.gz MUYIIJALIVYPRH-UHFFFAOYSA-N 0 1 291.416 3.576 20 0 CHADMN Cn1cncc1Nc1ccc(-c2ccc(O)cc2)cc1 ZINC001205134985 1133535661 /nfs/dbraw/zinc/53/56/61/1133535661.db2.gz VYTHPZWQGSGOSP-UHFFFAOYSA-N 0 1 265.316 3.536 20 0 CHADMN CNc1ccc(C)cc1CN(C)Cc1ccccc1OC ZINC001205148702 1133537239 /nfs/dbraw/zinc/53/72/39/1133537239.db2.gz KYMMCLRDNHTMNV-UHFFFAOYSA-N 0 1 284.403 3.677 20 0 CHADMN Fc1cc(F)c(-c2cccc3cncn32)c(F)c1F ZINC001205185302 1133543294 /nfs/dbraw/zinc/54/32/94/1133543294.db2.gz IELRKEXYMHXIQZ-UHFFFAOYSA-N 0 1 266.197 3.558 20 0 CHADMN Cc1ccc(CN2CC(C)(C)OC(C)(C)C2)cc1F ZINC001205243310 1133548546 /nfs/dbraw/zinc/54/85/46/1133548546.db2.gz ATXQECXJBVPYQY-UHFFFAOYSA-N 0 1 265.372 3.524 20 0 CHADMN FC(F)(F)[C@@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC001205593988 1133592688 /nfs/dbraw/zinc/59/26/88/1133592688.db2.gz NBXVGXQQPHUJQK-GFCCVEGCSA-N 0 1 268.282 3.552 20 0 CHADMN C[C@@H]1C(=O)CCN(Cc2ccc3[nH]ccc3c2)C12CCCC2 ZINC001205612234 1133595086 /nfs/dbraw/zinc/59/50/86/1133595086.db2.gz SRVNTPCSEVXBMO-CQSZACIVSA-N 0 1 296.414 3.892 20 0 CHADMN C[N@H+]1CC[C@H](c2ccc(-c3ccsc3C(=O)[O-])cc2)C1 ZINC001205614402 1133595442 /nfs/dbraw/zinc/59/54/42/1133595442.db2.gz OAVBAWLMCWFMCW-ZDUSSCGKSA-N 0 1 287.384 3.532 20 0 CHADMN CCn1cnc(Cl)c1C[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC001205639949 1133597455 /nfs/dbraw/zinc/59/74/55/1133597455.db2.gz QKUBGIGUMZKMKA-LBPRGKRZSA-N 0 1 283.847 3.957 20 0 CHADMN CCn1cnc(Cl)c1CN(C)[C@@H](C)C1CCCCC1 ZINC001205639949 1133597458 /nfs/dbraw/zinc/59/74/58/1133597458.db2.gz QKUBGIGUMZKMKA-LBPRGKRZSA-N 0 1 283.847 3.957 20 0 CHADMN Cc1ccc(F)c(CN(C)CCOc2ccccc2)c1 ZINC001205647016 1133598528 /nfs/dbraw/zinc/59/85/28/1133598528.db2.gz BVPSMVYYDPUYMV-UHFFFAOYSA-N 0 1 273.351 3.645 20 0 CHADMN Cc1ccc(F)c(C[N@H+]2CCN(C)[C@H](c3ccccc3)C2)c1 ZINC001205647054 1133598808 /nfs/dbraw/zinc/59/88/08/1133598808.db2.gz COIWTXWDOPNYLI-IBGZPJMESA-N 0 1 298.405 3.623 20 0 CHADMN Cc1ccc(F)c(CN2CCN(C)[C@H](c3ccccc3)C2)c1 ZINC001205647054 1133598812 /nfs/dbraw/zinc/59/88/12/1133598812.db2.gz COIWTXWDOPNYLI-IBGZPJMESA-N 0 1 298.405 3.623 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)N[C@@H]3CC[C@@H]3C)n2)cc1F ZINC001205656973 1133599305 /nfs/dbraw/zinc/59/93/05/1133599305.db2.gz WCPYPHKMAOCBMR-COPLHBTASA-N 0 1 289.354 3.633 20 0 CHADMN Cc1cnc(-c2ccc(F)c(F)c2Cl)cc1N ZINC001205666677 1133600783 /nfs/dbraw/zinc/60/07/83/1133600783.db2.gz UECKQRYCSWRJFC-UHFFFAOYSA-N 0 1 254.667 3.571 20 0 CHADMN Cc1cccnc1CN1CCC[C@H]1c1ccccc1F ZINC001205800229 1133615359 /nfs/dbraw/zinc/61/53/59/1133615359.db2.gz OAYFURFKHCRXOD-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1ncccc1C ZINC001205807080 1133616503 /nfs/dbraw/zinc/61/65/03/1133616503.db2.gz BCHLYKVBZDRIMG-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN Cc1cccnc1CN(C)C/C=C/c1ccccc1 ZINC001205807623 1133617389 /nfs/dbraw/zinc/61/73/89/1133617389.db2.gz PIXLMCSQKKQNHX-YRNVUSSQSA-N 0 1 252.361 3.535 20 0 CHADMN Cc1ncc(-c2ccc3nc(-c4ccccc4)[nH]c3c2)cn1 ZINC001205869952 1133625007 /nfs/dbraw/zinc/62/50/07/1133625007.db2.gz PGEFRBSARDSZGH-UHFFFAOYSA-N 0 1 286.338 3.995 20 0 CHADMN Cc1cccc(CN(C)Cc2cccc3c2OCC3)c1C ZINC001205973651 1133636301 /nfs/dbraw/zinc/63/63/01/1133636301.db2.gz CFNJPAYKYIFYNH-UHFFFAOYSA-N 0 1 281.399 3.870 20 0 CHADMN CSc1ccc(F)cc1-c1c[nH]cc2nc(C)nc1-2 ZINC001205983638 1133638149 /nfs/dbraw/zinc/63/81/49/1133638149.db2.gz MKQSRMUQLPSHTF-UHFFFAOYSA-N 0 1 273.336 3.794 20 0 CHADMN CSc1ccc(F)cc1-c1cncc2[nH]c(C)nc21 ZINC001205983638 1133638151 /nfs/dbraw/zinc/63/81/51/1133638151.db2.gz MKQSRMUQLPSHTF-UHFFFAOYSA-N 0 1 273.336 3.794 20 0 CHADMN C[C@@H](NCc1ncn(-c2ccccc2)n1)[C@H]1CCCC[C@H]1C ZINC001205990067 1133639054 /nfs/dbraw/zinc/63/90/54/1133639054.db2.gz ORLKANAIANPXPQ-INMHGKMJSA-N 0 1 298.434 3.572 20 0 CHADMN Cc1cccc2c1CN(Cc1ccc3c(c1)CCCN3)C2 ZINC001206080516 1133653797 /nfs/dbraw/zinc/65/37/97/1133653797.db2.gz AOZBZXJRIJKQOZ-UHFFFAOYSA-N 0 1 278.399 3.869 20 0 CHADMN Cc1nc(CN(Cc2ccccc2)C[Si](C)(C)C)co1 ZINC001206074919 1133653894 /nfs/dbraw/zinc/65/38/94/1133653894.db2.gz ZFPLVRGFKRJKDY-UHFFFAOYSA-N 0 1 288.467 3.863 20 0 CHADMN Fc1cc(-c2ccc3nc[nH]c3c2)cc(N2CCCC2)c1 ZINC001206113765 1133659210 /nfs/dbraw/zinc/65/92/10/1133659210.db2.gz KJRSXZXFHZLTIZ-UHFFFAOYSA-N 0 1 281.334 3.969 20 0 CHADMN COc1cnc(F)c(CN2CC[C@H](C(C)(C)C)C[C@@H]2C)c1 ZINC001206115969 1133659232 /nfs/dbraw/zinc/65/92/32/1133659232.db2.gz KKNLHPGXZPQQCL-JSGCOSHPSA-N 0 1 294.414 3.876 20 0 CHADMN COc1cnc(F)c(CN2CC[C@@H](C(C)(C)C)C[C@@H]2C)c1 ZINC001206115968 1133659305 /nfs/dbraw/zinc/65/93/05/1133659305.db2.gz KKNLHPGXZPQQCL-GXTWGEPZSA-N 0 1 294.414 3.876 20 0 CHADMN Cc1ccc(C=Cc2cc(N)c(C(F)(F)F)cn2)cc1 ZINC001206147705 1133663781 /nfs/dbraw/zinc/66/37/81/1133663781.db2.gz CVPDJDZNYPGDEQ-VOTSOKGWSA-N 0 1 278.277 3.992 20 0 CHADMN C[C@H](c1cccc2ccccc21)N(C)Cc1cn(C)cn1 ZINC001206241968 1133675429 /nfs/dbraw/zinc/67/54/29/1133675429.db2.gz BZDSTASUKXBAJO-CQSZACIVSA-N 0 1 279.387 3.766 20 0 CHADMN C[N@H+]1CC[C@H](c2ccc(-c3csc(C(=O)[O-])c3)cc2)C1 ZINC001206303237 1133686799 /nfs/dbraw/zinc/68/67/99/1133686799.db2.gz HMSNJIQKKLDRCK-ZDUSSCGKSA-N 0 1 287.384 3.532 20 0 CHADMN COCc1cc(C)c(-c2c[nH]cc3nc(C)nc2-3)c(C)c1 ZINC001206338754 1133691662 /nfs/dbraw/zinc/69/16/62/1133691662.db2.gz CHBXAMYBKMXTCK-UHFFFAOYSA-N 0 1 281.359 3.697 20 0 CHADMN COCc1cc(C)c(-c2cncc3[nH]c(C)nc32)c(C)c1 ZINC001206338754 1133691665 /nfs/dbraw/zinc/69/16/65/1133691665.db2.gz CHBXAMYBKMXTCK-UHFFFAOYSA-N 0 1 281.359 3.697 20 0 CHADMN c1cc2c(cc1CN1CCOC[C@@H]1C1CCC1)CCCC2 ZINC001206404389 1133698119 /nfs/dbraw/zinc/69/81/19/1133698119.db2.gz VFMDSCANELZTOI-LJQANCHMSA-N 0 1 285.431 3.566 20 0 CHADMN COc1cccnc1CN1CCC(Cc2ccccc2)CC1 ZINC001206611418 1133727835 /nfs/dbraw/zinc/72/78/35/1133727835.db2.gz VNQFIMLECMRJEF-UHFFFAOYSA-N 0 1 296.414 3.545 20 0 CHADMN COc1cccnc1CN(C)Cc1cccc2ccccc21 ZINC001206638297 1133729892 /nfs/dbraw/zinc/72/98/92/1133729892.db2.gz ZZNBWJOYXQTJPB-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2cc(F)cc(Br)c2)C1 ZINC000164944844 1133803302 /nfs/dbraw/zinc/80/33/02/1133803302.db2.gz FAVQMQPVHGOYFE-ZJUUUORDSA-N 0 1 286.188 3.819 20 0 CHADMN COc1ccc2c(ccnc2-c2cc(F)c(O)cc2F)c1 ZINC001206755650 1133742109 /nfs/dbraw/zinc/74/21/09/1133742109.db2.gz OAFHAPJHWKSYCX-UHFFFAOYSA-N 0 1 287.265 3.894 20 0 CHADMN Oc1cc(F)c(-c2cc(C(F)(F)F)c(F)cn2)cc1F ZINC001206761126 1133743519 /nfs/dbraw/zinc/74/35/19/1133743519.db2.gz JHRBDAUEHVXPNA-UHFFFAOYSA-N 0 1 293.166 3.890 20 0 CHADMN Cc1csc2cnc(-c3cc(F)c(O)cc3F)nc12 ZINC001206768221 1133746353 /nfs/dbraw/zinc/74/63/53/1133746353.db2.gz SDKJUKFBXXDYFI-UHFFFAOYSA-N 0 1 278.283 3.651 20 0 CHADMN COc1ccc(-c2cc(CN3CCC34CCCC4)no2)cc1 ZINC001206825157 1133752721 /nfs/dbraw/zinc/75/27/21/1133752721.db2.gz LKSOJDIBGRXRFY-UHFFFAOYSA-N 0 1 298.386 3.869 20 0 CHADMN F[C@@H]1CCCN(Cc2cc(-c3ccccc3)on2)CC1 ZINC001206842985 1133754377 /nfs/dbraw/zinc/75/43/77/1133754377.db2.gz RDRZFFFJGZQZMX-CQSZACIVSA-N 0 1 274.339 3.666 20 0 CHADMN CCn1nc(CN2CCCC3(CC3)CC2)c2ccccc21 ZINC001206999202 1133759095 /nfs/dbraw/zinc/75/90/95/1133759095.db2.gz DZZVKUKCGITTRJ-UHFFFAOYSA-N 0 1 283.419 3.822 20 0 CHADMN CCc1nccc(CN(CC)Cc2ccc(C)c(C)c2)n1 ZINC001207089188 1133765240 /nfs/dbraw/zinc/76/52/40/1133765240.db2.gz GGFDAWZJOGESHH-UHFFFAOYSA-N 0 1 283.419 3.678 20 0 CHADMN Fc1cnc(CN2CCC[C@H]3CCCC[C@H]32)c(F)c1 ZINC001207097819 1133768023 /nfs/dbraw/zinc/76/80/23/1133768023.db2.gz ZUPJPKSUEPWZHA-IAQYHMDHSA-N 0 1 266.335 3.514 20 0 CHADMN FC(F)c1cccc(CN2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001207125106 1133768890 /nfs/dbraw/zinc/76/88/90/1133768890.db2.gz IGRJFUMSKHEZKH-DZGCQCFKSA-N 0 1 281.346 3.625 20 0 CHADMN CN(Cc1c(F)cccc1OC(F)F)C1CCCC1 ZINC001207112418 1133769014 /nfs/dbraw/zinc/76/90/14/1133769014.db2.gz MBDFBPCRDFSJRF-UHFFFAOYSA-N 0 1 273.298 3.802 20 0 CHADMN Cc1ncccc1CN(C)Cc1cccc(C(F)F)c1 ZINC001207132658 1133769998 /nfs/dbraw/zinc/76/99/98/1133769998.db2.gz ZZZLPMJKGVZPQR-UHFFFAOYSA-N 0 1 276.330 3.960 20 0 CHADMN Cc1cncc(CN2CCC[C@@H](Sc3ccncc3)C2)c1 ZINC001207157119 1133773289 /nfs/dbraw/zinc/77/32/89/1133773289.db2.gz WCPLYIIPTOHZRQ-QGZVFWFLSA-N 0 1 299.443 3.542 20 0 CHADMN CC(C)c1ccc(CCN(C)Cc2ccns2)cc1 ZINC001207168952 1133773487 /nfs/dbraw/zinc/77/34/87/1133773487.db2.gz VDNNNTRHOIWEST-UHFFFAOYSA-N 0 1 274.433 3.941 20 0 CHADMN Cc1nccc(CN(Cc2ccccn2)C2CCCCC2)n1 ZINC001207168976 1133773876 /nfs/dbraw/zinc/77/38/76/1133773876.db2.gz OVZOWFWBCUGDLH-UHFFFAOYSA-N 0 1 296.418 3.515 20 0 CHADMN CC1=CC[C@@H](CCN2CC3(C2)CCCCO3)C1(C)C ZINC001207268255 1133783481 /nfs/dbraw/zinc/78/34/81/1133783481.db2.gz LEJLYSQHZLPLGX-HNNXBMFYSA-N 0 1 263.425 3.624 20 0 CHADMN FC[C@@H]1CCN(Cc2ccc(Oc3ccccc3)o2)C1 ZINC001207302265 1133789916 /nfs/dbraw/zinc/78/99/16/1133789916.db2.gz PAFKVYIFTJJMPJ-ZDUSSCGKSA-N 0 1 275.323 3.863 20 0 CHADMN C[C@@H]1CN(Cc2ccnn2C2CCC2)Cc2ccccc21 ZINC001207449280 1133802880 /nfs/dbraw/zinc/80/28/80/1133802880.db2.gz UXYDWUSNNROBIW-CQSZACIVSA-N 0 1 281.403 3.727 20 0 CHADMN Fc1ccccc1CCCN1CCOc2ccccc2C1 ZINC001207493272 1133807713 /nfs/dbraw/zinc/80/77/13/1133807713.db2.gz LCGDLHNPLIFWLL-UHFFFAOYSA-N 0 1 285.362 3.653 20 0 CHADMN Fc1ccc(CCN2CCC[C@@H]2c2nccs2)cc1 ZINC001207515045 1133811064 /nfs/dbraw/zinc/81/10/64/1133811064.db2.gz HOTXCJHWJFODMO-CQSZACIVSA-N 0 1 276.380 3.662 20 0 CHADMN CC(=O)[C@H]1CCCCN1CCc1ccc(C(C)C)cc1 ZINC001207524552 1133815430 /nfs/dbraw/zinc/81/54/30/1133815430.db2.gz YFMNLSAFKVSAHX-GOSISDBHSA-N 0 1 273.420 3.796 20 0 CHADMN CC(=O)c1ccc2c(c1)CN(CCc1cccc(C)c1)CC2 ZINC001207536067 1133817787 /nfs/dbraw/zinc/81/77/87/1133817787.db2.gz COIOLGGYKQKENR-UHFFFAOYSA-N 0 1 293.410 3.798 20 0 CHADMN F[C@@H]1COc2ccccc2[C@@H]1NC[C@H]1CCc2ccccc21 ZINC001207535780 1133818108 /nfs/dbraw/zinc/81/81/08/1133818108.db2.gz MPIFGNSZNYUULI-BJZITVGISA-N 0 1 297.373 3.778 20 0 CHADMN CC(C)CCN(Cc1cccnc1)Cc1cccnc1 ZINC000165195738 1133836295 /nfs/dbraw/zinc/83/62/95/1133836295.db2.gz BPMCLNKVQDSJKP-UHFFFAOYSA-N 0 1 269.392 3.525 20 0 CHADMN C[C@H](CCCC(C)(C)O)CCN1CCn2cccc2[C@H]1C ZINC001207679223 1133837774 /nfs/dbraw/zinc/83/77/74/1133837774.db2.gz WIISATOOCXBLGM-HZPDHXFCSA-N 0 1 292.467 3.832 20 0 CHADMN CCN(Cc1nc2c(s1)C[C@H](C)CC2)CC1(C)CC1 ZINC001207814422 1133848895 /nfs/dbraw/zinc/84/88/95/1133848895.db2.gz XLMHAQFWRADFSB-GFCCVEGCSA-N 0 1 278.465 3.890 20 0 CHADMN C[C@@H]1c2cccn2CC[N@@H+]1CC1(c2ccccc2)CC1 ZINC001207839697 1133852865 /nfs/dbraw/zinc/85/28/65/1133852865.db2.gz UXHSEKDUESOMNJ-OAHLLOKOSA-N 0 1 266.388 3.597 20 0 CHADMN C[C@@]1(CN2CCc3cc(F)cc(F)c3C2)CCCS1 ZINC001207858357 1133855787 /nfs/dbraw/zinc/85/57/87/1133855787.db2.gz MDMJVUQZHLSRBJ-HNNXBMFYSA-N 0 1 283.387 3.609 20 0 CHADMN C[C@@H](CN(C)CC(=O)c1ccccc1)c1ccccc1 ZINC001207911744 1133862557 /nfs/dbraw/zinc/86/25/57/1133862557.db2.gz IHXIGLGEESHDCK-HNNXBMFYSA-N 0 1 267.372 3.605 20 0 CHADMN CC(C)c1ccc(C[C@H](C)CN2CCC(=O)[C@@H](C)C2)cc1 ZINC001207931828 1133863104 /nfs/dbraw/zinc/86/31/04/1133863104.db2.gz KAULUCIVUFCCGI-HOTGVXAUSA-N 0 1 287.447 3.900 20 0 CHADMN c1ccc(CN(Cc2ccccn2)C[C@H]2CCCCO2)cc1 ZINC001207954515 1133870083 /nfs/dbraw/zinc/87/00/83/1133870083.db2.gz QWNDJTCCGAOXHU-LJQANCHMSA-N 0 1 296.414 3.653 20 0 CHADMN Cc1nc([C@@H]2CCCCN2C[C@H]2CCC(C)=C[C@@H]2C)no1 ZINC001208172017 1133897474 /nfs/dbraw/zinc/89/74/74/1133897474.db2.gz AZRXTNQVBVSHAJ-IMJJTQAJSA-N 0 1 289.423 3.897 20 0 CHADMN CC1=C[C@@H](C)[C@H](CN(C)Cc2nccs2)CC1 ZINC001208179954 1133900175 /nfs/dbraw/zinc/90/01/75/1133900175.db2.gz COBMCTZPUDYHAC-OLZOCXBDSA-N 0 1 250.411 3.567 20 0 CHADMN COC(=O)c1cccc2c1CN(C[C@@H]1CCC(C)=C[C@@H]1C)C2 ZINC001208182262 1133900269 /nfs/dbraw/zinc/90/02/69/1133900269.db2.gz SEVXTWZPYIAMLT-GJZGRUSLSA-N 0 1 299.414 3.781 20 0 CHADMN CC1=C[C@H](C)[C@H](CN(C)CC(=O)c2ccccc2)CC1 ZINC001208182645 1133900286 /nfs/dbraw/zinc/90/02/86/1133900286.db2.gz UREFFEJMJJKFGW-RDJZCZTQSA-N 0 1 271.404 3.794 20 0 CHADMN CC1=C[C@@H](C)[C@H](CN(C)Cc2cscn2)CC1 ZINC001208181549 1133900485 /nfs/dbraw/zinc/90/04/85/1133900485.db2.gz NSLIUMUDJUFGEX-OLZOCXBDSA-N 0 1 250.411 3.567 20 0 CHADMN COC(=O)c1cccc2c1CN(C[C@H]1CCC(C)=C[C@H]1C)C2 ZINC001208182263 1133901023 /nfs/dbraw/zinc/90/10/23/1133901023.db2.gz SEVXTWZPYIAMLT-HUUCEWRRSA-N 0 1 299.414 3.781 20 0 CHADMN COC(C)(C)CCC[C@H](C)CCN1CCC(=O)C[C@@H]1C ZINC001208202804 1133907000 /nfs/dbraw/zinc/90/70/00/1133907000.db2.gz OCFBQDPMOCYZRL-GJZGRUSLSA-N 0 1 283.456 3.661 20 0 CHADMN COC(C)(C)CCC[C@@H](C)CCN1CCC(=O)C[C@H]1C ZINC001208202805 1133907694 /nfs/dbraw/zinc/90/76/94/1133907694.db2.gz OCFBQDPMOCYZRL-HUUCEWRRSA-N 0 1 283.456 3.661 20 0 CHADMN C[C@@]1(c2ccc(Cl)cc2)CN(CCC2CC2)CCO1 ZINC001208689220 1133927019 /nfs/dbraw/zinc/92/70/19/1133927019.db2.gz ZCZJNPCHPLDMLU-INIZCTEOSA-N 0 1 279.811 3.688 20 0 CHADMN FC(F)(F)c1ccc(CCCN(C2CC2)C2COC2)cc1 ZINC001208690134 1133927482 /nfs/dbraw/zinc/92/74/82/1133927482.db2.gz FXNUVYUJCMTWFN-UHFFFAOYSA-N 0 1 299.336 3.501 20 0 CHADMN CN(CCC1CCCC1)Cc1cccc(F)c1F ZINC001208696082 1133929308 /nfs/dbraw/zinc/92/93/08/1133929308.db2.gz LILLOPRALRXTPY-UHFFFAOYSA-N 0 1 253.336 3.977 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccsc1)OCc1ccccc1 ZINC001208700049 1133930426 /nfs/dbraw/zinc/93/04/26/1133930426.db2.gz BYCPZARDSYSPQA-AWEZNQCLSA-N 0 1 275.417 3.785 20 0 CHADMN c1ccc(C2(CN3Cc4ccncc4C3)CCCC2)cc1 ZINC001208778517 1133944024 /nfs/dbraw/zinc/94/40/24/1133944024.db2.gz WNPFFBXKAIAHCD-UHFFFAOYSA-N 0 1 278.399 3.909 20 0 CHADMN C[C@@H]1CN(CCCc2ccc(Cl)c(Cl)c2)CCO1 ZINC001208832784 1133948601 /nfs/dbraw/zinc/94/86/01/1133948601.db2.gz HOPRUWIKBYUHTD-LLVKDONJSA-N 0 1 288.218 3.647 20 0 CHADMN C[N@@H+]1CC=C(Nc2cc(C(F)(F)F)ccc2[S-])CC1 ZINC001208838036 1133950082 /nfs/dbraw/zinc/95/00/82/1133950082.db2.gz NIUGOWZGASMSGO-UHFFFAOYSA-N 0 1 288.338 3.625 20 0 CHADMN C[C@H](CN1CCCC[C@H]1c1cccnc1)C(F)(F)F ZINC001208894502 1133958947 /nfs/dbraw/zinc/95/89/47/1133958947.db2.gz UVSOKDJHRCJNJF-YPMHNXCESA-N 0 1 272.314 3.807 20 0 CHADMN CN1CC=C(N(c2ccccc2)c2cccc(N)c2)CC1 ZINC001208930637 1133964357 /nfs/dbraw/zinc/96/43/57/1133964357.db2.gz RRNWXGBROJMOPP-UHFFFAOYSA-N 0 1 279.387 3.626 20 0 CHADMN CO[C@@H](C)C1CN(CCc2ccc(Cl)cc2Cl)C1 ZINC001209082876 1133974686 /nfs/dbraw/zinc/97/46/86/1133974686.db2.gz GSMMTMMKRMSLGS-JTQLQIEISA-N 0 1 288.218 3.503 20 0 CHADMN Fc1ccc(CC[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c(Cl)c1 ZINC001209110378 1133975654 /nfs/dbraw/zinc/97/56/54/1133975654.db2.gz UTAHTMPIAJQYCT-BBRMVZONSA-N 0 1 297.801 3.523 20 0 CHADMN Fc1ccc(CCN2CC[C@@H]3CCCO[C@H]3C2)c(Cl)c1 ZINC001209110378 1133975658 /nfs/dbraw/zinc/97/56/58/1133975658.db2.gz UTAHTMPIAJQYCT-BBRMVZONSA-N 0 1 297.801 3.523 20 0 CHADMN CC(=O)[C@@H]1CCCCN1CCc1ccc(C(F)(F)F)cc1 ZINC001209126411 1133978898 /nfs/dbraw/zinc/97/88/98/1133978898.db2.gz WZCQTYHAHDBTDU-HNNXBMFYSA-N 0 1 299.336 3.691 20 0 CHADMN Cc1ccc2c(c1)CC[N@H+](CCc1cc(F)cc(F)c1)C2 ZINC001209132798 1133980655 /nfs/dbraw/zinc/98/06/55/1133980655.db2.gz ZGPPURWBFZEJQK-UHFFFAOYSA-N 0 1 287.353 3.874 20 0 CHADMN Cc1ccc2c(c1)CCN(CCc1cc(F)cc(F)c1)C2 ZINC001209132798 1133980658 /nfs/dbraw/zinc/98/06/58/1133980658.db2.gz ZGPPURWBFZEJQK-UHFFFAOYSA-N 0 1 287.353 3.874 20 0 CHADMN Fc1cc(F)cc(CC[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC001209139530 1133980727 /nfs/dbraw/zinc/98/07/27/1133980727.db2.gz ZNIUIDJXYQDNQE-QGZVFWFLSA-N 0 1 288.341 3.739 20 0 CHADMN CC(C)N(CCCc1ccncc1)CC(=O)c1ccccc1 ZINC001209188876 1133985332 /nfs/dbraw/zinc/98/53/32/1133985332.db2.gz DKWXKZSUXYTKSH-UHFFFAOYSA-N 0 1 296.414 3.608 20 0 CHADMN C[C@]1(F)CC[N@@H+](CCCCOCc2ccccc2)C[C@H]1F ZINC001209253454 1133995644 /nfs/dbraw/zinc/99/56/44/1133995644.db2.gz KNDNRIRNNNHWPZ-SJORKVTESA-N 0 1 297.389 3.755 20 0 CHADMN C[C@]1(F)CCN(CCCCOCc2ccccc2)C[C@H]1F ZINC001209253454 1133995647 /nfs/dbraw/zinc/99/56/47/1133995647.db2.gz KNDNRIRNNNHWPZ-SJORKVTESA-N 0 1 297.389 3.755 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1CCc1cc(F)c(F)cc1F ZINC001209253674 1133995916 /nfs/dbraw/zinc/99/59/16/1133995916.db2.gz VJCOVGLQMOUGNB-GFCCVEGCSA-N 0 1 271.326 3.911 20 0 CHADMN Fc1cc(F)c(CCN2CCCCC23CC3)cc1F ZINC001209251091 1133996464 /nfs/dbraw/zinc/99/64/64/1133996464.db2.gz CAHWVZHVXJEHTK-UHFFFAOYSA-N 0 1 269.310 3.665 20 0 CHADMN Cc1cc(CN(Cc2ccccc2)C[C@@H]2C[C@H]2C)on1 ZINC001209430874 1134017174 /nfs/dbraw/zinc/01/71/74/1134017174.db2.gz NUQGBCBEKVTZBN-CJNGLKHVSA-N 0 1 270.376 3.641 20 0 CHADMN Cc1cc(CN(Cc2ccccc2)C[C@H]2C[C@@H]2C)on1 ZINC001209430878 1134017643 /nfs/dbraw/zinc/01/76/43/1134017643.db2.gz NUQGBCBEKVTZBN-XJKSGUPXSA-N 0 1 270.376 3.641 20 0 CHADMN CN(Cc1ccc2cc[nH]c2c1)Cc1ccccc1F ZINC001209512906 1134032087 /nfs/dbraw/zinc/03/20/87/1134032087.db2.gz SIFBIKNHTFAFPU-UHFFFAOYSA-N 0 1 268.335 3.939 20 0 CHADMN CN(Cc1c2ccccc2nn1C)Cc1ccc(Cl)cc1 ZINC001209535840 1134035262 /nfs/dbraw/zinc/03/52/62/1134035262.db2.gz GXLUZEFRKXCTPD-UHFFFAOYSA-N 0 1 299.805 3.859 20 0 CHADMN Cn1nc(CN2CCC[C@H]3CCCC[C@H]32)c2ccccc21 ZINC001209582576 1134040007 /nfs/dbraw/zinc/04/00/07/1134040007.db2.gz LPRMMRVSIJXYKB-RHSMWYFYSA-N 0 1 283.419 3.728 20 0 CHADMN Clc1cnc2[nH]cc(CN3CC(c4ccccc4)C3)c2c1 ZINC001209599393 1134041242 /nfs/dbraw/zinc/04/12/42/1134041242.db2.gz KBADIJXYBWUMLF-UHFFFAOYSA-N 0 1 297.789 3.816 20 0 CHADMN Cc1cc(Cl)ncc1CN1C2CCCC1CCC2 ZINC001209633128 1134044374 /nfs/dbraw/zinc/04/43/74/1134044374.db2.gz HJLZSWYKYZZVDL-UHFFFAOYSA-N 0 1 264.800 3.950 20 0 CHADMN COc1cc(CN2C[C@H](C)C[C@@H](C)C2)c(F)cc1Cl ZINC001209667817 1134049300 /nfs/dbraw/zinc/04/93/00/1134049300.db2.gz ORPSVZCFOZDKRB-GHMZBOCLSA-N 0 1 285.790 3.966 20 0 CHADMN CC[C@@H]1CCN(Cc2cc(OC)c(Cl)cc2F)C1 ZINC001209666426 1134049800 /nfs/dbraw/zinc/04/98/00/1134049800.db2.gz MLNRKFZQFSKPGD-SNVBAGLBSA-N 0 1 271.763 3.720 20 0 CHADMN CC[C@@H](C)[N@@H+](C)Cc1ccc(Cl)c(OC)c1F ZINC001209697623 1134050511 /nfs/dbraw/zinc/05/05/11/1134050511.db2.gz SROVIERLYWSTHU-SECBINFHSA-N 0 1 259.752 3.718 20 0 CHADMN COC[C@H]1CCCC[N@H+]1Cc1cc2cc(Cl)ccc2[nH]1 ZINC001209717798 1134054121 /nfs/dbraw/zinc/05/41/21/1134054121.db2.gz DSWCVCOSZGXRGB-OAHLLOKOSA-N 0 1 292.810 3.822 20 0 CHADMN CCCO[C@H]1CCN(Cc2cc3cc(Cl)ccc3[nH]2)C1 ZINC001209724100 1134055985 /nfs/dbraw/zinc/05/59/85/1134055985.db2.gz WPMUZHRLFGNRDP-HNNXBMFYSA-N 0 1 292.810 3.822 20 0 CHADMN FC1(F)CCCN(Cc2[nH]nc3ccc(Cl)cc32)CC1 ZINC001209750170 1134058757 /nfs/dbraw/zinc/05/87/57/1134058757.db2.gz FGRRRHOASKLPIQ-UHFFFAOYSA-N 0 1 299.752 3.838 20 0 CHADMN Clc1ccc2[nH]nc(C[N@H+]3CC[C@@H]4CCC[C@H]4C3)c2c1 ZINC001209752393 1134059244 /nfs/dbraw/zinc/05/92/44/1134059244.db2.gz HLHXQRLXNIUEIH-RYUDHWBXSA-N 0 1 289.810 3.838 20 0 CHADMN Clc1ccc2[nH]nc(CN3CC[C@@H]4CCC[C@H]4C3)c2c1 ZINC001209752393 1134059248 /nfs/dbraw/zinc/05/92/48/1134059248.db2.gz HLHXQRLXNIUEIH-RYUDHWBXSA-N 0 1 289.810 3.838 20 0 CHADMN Clc1ccc2[nH]nc(C[N@@H+]3CC[C@@H]4CCC[C@H]4C3)c2c1 ZINC001209752393 1134059236 /nfs/dbraw/zinc/05/92/36/1134059236.db2.gz HLHXQRLXNIUEIH-RYUDHWBXSA-N 0 1 289.810 3.838 20 0 CHADMN CCN(Cc1[nH]nc2ccc(Cl)cc21)CC(F)(F)F ZINC001209758331 1134060148 /nfs/dbraw/zinc/06/01/48/1134060148.db2.gz FQLYSQGVSHKYQP-UHFFFAOYSA-N 0 1 291.704 3.601 20 0 CHADMN COc1c(F)ccc(Nc2ccc3nccn3c2)c1Cl ZINC001209800956 1134068412 /nfs/dbraw/zinc/06/84/12/1134068412.db2.gz ADEIRUJRGPXJHU-UHFFFAOYSA-N 0 1 291.713 3.879 20 0 CHADMN Cc1cc(Nc2ccc3nc[nH]c3c2)n(-c2ccccc2)n1 ZINC001209841541 1134078531 /nfs/dbraw/zinc/07/85/31/1134078531.db2.gz UOQXDTYVRKHJOC-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN CC(C)(C)Cc1cc(Nc2ccc3nc[nH]c3c2)on1 ZINC001209841603 1134078604 /nfs/dbraw/zinc/07/86/04/1134078604.db2.gz XIRQWYWJPNLACB-UHFFFAOYSA-N 0 1 270.336 3.883 20 0 CHADMN FC(F)(F)Oc1ncccc1Nc1ccc2nc[nH]c2c1 ZINC001209847208 1134082383 /nfs/dbraw/zinc/08/23/83/1134082383.db2.gz BYNVDWHDBJMNFM-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN CCOC(=O)c1ccc(C)c(Nc2ccc3nc[nH]c3c2)c1 ZINC001209848223 1134083257 /nfs/dbraw/zinc/08/32/57/1134083257.db2.gz IVTWZTWJIAULTF-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN Nc1cc(F)cc(Nc2ccc3nc[nH]c3c2)c1Cl ZINC001209849786 1134083822 /nfs/dbraw/zinc/08/38/22/1134083822.db2.gz AUFPZYGFUKOMBY-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN COc1cc(C(C)=O)c(Nc2ccc3nc[nH]c3c2)cc1F ZINC001209849900 1134084043 /nfs/dbraw/zinc/08/40/43/1134084043.db2.gz FXKXZYKYYZPBGM-UHFFFAOYSA-N 0 1 299.305 3.657 20 0 CHADMN CCOc1c(F)cccc1Nc1ccc2nc[nH]c2c1 ZINC001209849795 1134085007 /nfs/dbraw/zinc/08/50/07/1134085007.db2.gz BFGGCYRXGJSCER-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN Clc1ncnc2ccc(Nc3ccc4nc[nH]c4c3)cc12 ZINC001209851559 1134085808 /nfs/dbraw/zinc/08/58/08/1134085808.db2.gz VWWJWMHVBQNZLG-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN COC(=O)[C@@H](C)c1ccc(Nc2ccc3nc[nH]c3c2)cc1 ZINC001209852223 1134086241 /nfs/dbraw/zinc/08/62/41/1134086241.db2.gz XUWLXAUHDPTIHP-NSHDSACASA-N 0 1 295.342 3.583 20 0 CHADMN Fc1cnc2cccc(Nc3ccc4nc[nH]c4c3)c2c1 ZINC001209852082 1134087032 /nfs/dbraw/zinc/08/70/32/1134087032.db2.gz ULASRTVKESNPKZ-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Oc1c(Cl)c(Cl)c(Cl)cc1Nc1ccnnc1 ZINC001209962418 1134110838 /nfs/dbraw/zinc/11/08/38/1134110838.db2.gz VJFMBJRXLHORBY-UHFFFAOYSA-N 0 1 290.537 3.886 20 0 CHADMN Cc1cccc(Br)c1Nc1cnc(N)cc1C ZINC001209966529 1134111239 /nfs/dbraw/zinc/11/12/39/1134111239.db2.gz DXATYYMXRGEUNR-UHFFFAOYSA-N 0 1 292.180 3.787 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(OC(C)C)cc1 ZINC001209965777 1134111816 /nfs/dbraw/zinc/11/18/16/1134111816.db2.gz HJNLJDFULAAWBA-UHFFFAOYSA-N 0 1 257.337 3.503 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(C(C)(C)C)ccc1O ZINC001209969362 1134112319 /nfs/dbraw/zinc/11/23/19/1134112319.db2.gz LIXVHGPBGVBEAV-UHFFFAOYSA-N 0 1 271.364 3.719 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc2c1CCCC2 ZINC001209970078 1134112497 /nfs/dbraw/zinc/11/24/97/1134112497.db2.gz SZQVPQVRCASIFX-UHFFFAOYSA-N 0 1 253.349 3.595 20 0 CHADMN Cc1cc(N)ncc1Nc1c(Cl)ccc2ncccc21 ZINC001209970054 1134112649 /nfs/dbraw/zinc/11/26/49/1134112649.db2.gz RZKBXUZRZBKRHN-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc2c(c1)CCCCC2=O ZINC001209969404 1134112781 /nfs/dbraw/zinc/11/27/81/1134112781.db2.gz MYQMMWAMCNQQFH-UHFFFAOYSA-N 0 1 281.359 3.625 20 0 CHADMN Cc1ccc(Nc2cnc(N)cc2C)cc1Br ZINC001209969177 1134112908 /nfs/dbraw/zinc/11/29/08/1134112908.db2.gz GZOQXTXUVWXXAV-UHFFFAOYSA-N 0 1 292.180 3.787 20 0 CHADMN Cc1cc(C)[nH+]c(Nc2cc(C(=O)[O-])cc(F)c2C)c1 ZINC001210005283 1134120946 /nfs/dbraw/zinc/12/09/46/1134120946.db2.gz MCDKMHFMAZMLMR-UHFFFAOYSA-N 0 1 274.295 3.588 20 0 CHADMN Cc1ccc(C)c(Nc2cc(C(=O)[O-])cc(F)c2C)[nH+]1 ZINC001210007570 1134121759 /nfs/dbraw/zinc/12/17/59/1134121759.db2.gz QGVVGYQTZPUQMJ-UHFFFAOYSA-N 0 1 274.295 3.588 20 0 CHADMN Cc1cc(Cl)cc(Nc2nonc2C2CC2)c1F ZINC001210025214 1134126648 /nfs/dbraw/zinc/12/66/48/1134126648.db2.gz GXNDGDYKQZYQOQ-UHFFFAOYSA-N 0 1 267.691 3.792 20 0 CHADMN Cc1cc(C)nc(Nc2ccc(N(C)C)c(C)c2)c1 ZINC001210039321 1134130560 /nfs/dbraw/zinc/13/05/60/1134130560.db2.gz NRUHHSQUWPBYBK-UHFFFAOYSA-N 0 1 255.365 3.816 20 0 CHADMN Cc1ccnc(Cl)c1Nc1cc2cn[nH]c2cc1C ZINC001210100263 1134145391 /nfs/dbraw/zinc/14/53/91/1134145391.db2.gz KLMBSCHHFGXLHH-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN CCCc1cc(Nc2cc3cn[nH]c3cc2C)on1 ZINC001210100071 1134146142 /nfs/dbraw/zinc/14/61/42/1134146142.db2.gz ATJSPZXYOWNABQ-UHFFFAOYSA-N 0 1 256.309 3.555 20 0 CHADMN COc1cc(Cl)ncc1Nc1cc2cn[nH]c2cc1C ZINC001210102039 1134146822 /nfs/dbraw/zinc/14/68/22/1134146822.db2.gz KVCBOFLWBDUGAW-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN CCN(c1ccccc1N)c1cc2cn[nH]c2cc1C ZINC001210102389 1134147088 /nfs/dbraw/zinc/14/70/88/1134147088.db2.gz MLXHOFDYKSEGRP-UHFFFAOYSA-N 0 1 266.348 3.612 20 0 CHADMN Cc1cc(Nc2cc3cn[nH]c3cc2C)n(CC2CC2)n1 ZINC001210103179 1134147197 /nfs/dbraw/zinc/14/71/97/1134147197.db2.gz VSUZCNZXVANUMA-UHFFFAOYSA-N 0 1 281.363 3.530 20 0 CHADMN COCCOc1cccc(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210104671 1134147835 /nfs/dbraw/zinc/14/78/35/1134147835.db2.gz AJJCIODZHSGGDN-UHFFFAOYSA-N 0 1 297.358 3.640 20 0 CHADMN COCc1ccc(Nc2cc3cn[nH]c3cc2C)cc1 ZINC001210105301 1134148259 /nfs/dbraw/zinc/14/82/59/1134148259.db2.gz VLYHRRBMJNUCHR-UHFFFAOYSA-N 0 1 267.332 3.761 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc(N(C)C)c1 ZINC001210105023 1134148274 /nfs/dbraw/zinc/14/82/74/1134148274.db2.gz IEPNKOBXSNCGET-UHFFFAOYSA-N 0 1 266.348 3.681 20 0 CHADMN Cc1cc(Nc2cc3cn[nH]c3cc2C)cc2snnc21 ZINC001210107088 1134149204 /nfs/dbraw/zinc/14/92/04/1134149204.db2.gz VZPGDBGLBXTDNQ-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN Cc1cc2[nH]ncc2cc1N1CCCc2c(N)cccc21 ZINC001210105413 1134149398 /nfs/dbraw/zinc/14/93/98/1134149398.db2.gz AJEJEAINAXUDDR-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN c1cc(NC2=CCCCCCC2)n(-c2ccncc2)n1 ZINC001210448768 1134216382 /nfs/dbraw/zinc/21/63/82/1134216382.db2.gz TUIFWBACMXSDON-UHFFFAOYSA-N 0 1 268.364 3.917 20 0 CHADMN Cc1ccc(Nc2ccnc(CO)c2)c(C(F)(F)F)c1 ZINC001210523873 1134239323 /nfs/dbraw/zinc/23/93/23/1134239323.db2.gz DQSXANAGAGVBLJ-UHFFFAOYSA-N 0 1 282.265 3.645 20 0 CHADMN COc1ccnc(Nc2ccc(OCC(F)(F)F)cc2)c1 ZINC001210741190 1134286733 /nfs/dbraw/zinc/28/67/33/1134286733.db2.gz JFGQWHAQJFAWKB-UHFFFAOYSA-N 0 1 298.264 3.775 20 0 CHADMN Cn1nc2c(c1Nc1cc(Cl)c(O)c(Cl)c1)CCC2 ZINC001210922946 1134327424 /nfs/dbraw/zinc/32/74/24/1134327424.db2.gz FOUOJMACEPCJFE-UHFFFAOYSA-N 0 1 298.173 3.665 20 0 CHADMN Cc1cc(Nc2cc(Cl)c(O)c(Cl)c2)nc(C)n1 ZINC001210923002 1134327806 /nfs/dbraw/zinc/32/78/06/1134327806.db2.gz HRVYGMXSWFFWJU-UHFFFAOYSA-N 0 1 284.146 3.849 20 0 CHADMN Nc1cccc2c1N(c1cc(Cl)c(O)c(Cl)c1)CC2 ZINC001210930229 1134329504 /nfs/dbraw/zinc/32/95/04/1134329504.db2.gz JNTSGAHOTGAWTF-UHFFFAOYSA-N 0 1 295.169 3.975 20 0 CHADMN C=C(Nc1cnc(OCC)c(F)c1)c1ccccc1 ZINC001210983486 1134342570 /nfs/dbraw/zinc/34/25/70/1134342570.db2.gz VYINWYNCFZSJQG-UHFFFAOYSA-N 0 1 258.296 3.702 20 0 CHADMN CC(=Nc1ccnc(OC(F)F)c1)c1ccccc1 ZINC001210983987 1134342628 /nfs/dbraw/zinc/34/26/28/1134342628.db2.gz XIQVNSHQZVGOEM-UHFFFAOYSA-N 0 1 262.259 3.766 20 0 CHADMN COc1ccc(N=C(C)c2ccccc2)c(OC)c1 ZINC001210989802 1134344460 /nfs/dbraw/zinc/34/44/60/1134344460.db2.gz YHUAHUCXWFOUOP-UHFFFAOYSA-N 0 1 255.317 3.787 20 0 CHADMN CCOc1ccc(F)c(Nc2noc(C(C)(C)C)n2)c1 ZINC001211050724 1134356906 /nfs/dbraw/zinc/35/69/06/1134356906.db2.gz MWWXNBSBZMEWCS-UHFFFAOYSA-N 0 1 279.315 3.649 20 0 CHADMN Cn1cncc1Nc1nc(Cl)c(Cl)cc1Cl ZINC001211247321 1134399072 /nfs/dbraw/zinc/39/90/72/1134399072.db2.gz VCDNJHHBSJRCKW-UHFFFAOYSA-N 0 1 277.542 3.519 20 0 CHADMN COc1cnccc1Nc1cc(Cl)c(Cl)cc1OC ZINC001211266102 1134400460 /nfs/dbraw/zinc/40/04/60/1134400460.db2.gz ZGMZLNWJAPZDRQ-UHFFFAOYSA-N 0 1 299.157 3.571 20 0 CHADMN [O-]c1cc(F)c(-c2ccc([C@@H]3CCC[NH2+]3)c(F)c2)cc1F ZINC001211360338 1134412244 /nfs/dbraw/zinc/41/22/44/1134412244.db2.gz RNCASRNYNUKOMT-HNNXBMFYSA-N 0 1 293.288 3.901 20 0 CHADMN Cc1nc2ccc(Nc3cnc4cccc(C)n34)cc2o1 ZINC001213065837 1134419148 /nfs/dbraw/zinc/41/91/48/1134419148.db2.gz LYWUUGJEVGAMSK-UHFFFAOYSA-N 0 1 278.315 3.836 20 0 CHADMN Cc1nc2cc(Nc3cc(=O)[nH]c4ccccc34)ccc2[nH]1 ZINC001213071381 1134419396 /nfs/dbraw/zinc/41/93/96/1134419396.db2.gz OYNKJCUHDNSYDG-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN COc1nc(Cl)ccc1Nc1ccc2[nH]c(C)nc2c1 ZINC001213072258 1134421348 /nfs/dbraw/zinc/42/13/48/1134421348.db2.gz KGRDLXBKPSZDNC-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN COc1nc(Cl)ccc1Nc1ccc2nc(C)[nH]c2c1 ZINC001213072258 1134421352 /nfs/dbraw/zinc/42/13/52/1134421352.db2.gz KGRDLXBKPSZDNC-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN COc1cccc(C)c1Nc1ccc2[nH]c(C)nc2c1 ZINC001213073581 1134421622 /nfs/dbraw/zinc/42/16/22/1134421622.db2.gz RQJRKVTWFKOJRQ-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1nc2cc(Nc3ccc(CO)c(Cl)c3)ccc2[nH]1 ZINC001213075664 1134422777 /nfs/dbraw/zinc/42/27/77/1134422777.db2.gz YKVFNKDBPCVYJO-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1nc2ccc(N3CCCc4cccc(N)c43)cc2[nH]1 ZINC001213076636 1134423056 /nfs/dbraw/zinc/42/30/56/1134423056.db2.gz WAOJRMYCYQICHG-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN CC(C)(C)c1cc(Nc2ccnc(Cl)c2[O-])cc[nH+]1 ZINC001213163908 1134433432 /nfs/dbraw/zinc/43/34/32/1134433432.db2.gz CDVBBZMXFWWGSI-UHFFFAOYSA-N 0 1 277.755 3.877 20 0 CHADMN Cc1c2cc(N)ccc2nn1-c1ccnc(C(C)(C)C)c1 ZINC001213166730 1134433185 /nfs/dbraw/zinc/43/31/85/1134433185.db2.gz LEBUDBUFVDCZJJ-UHFFFAOYSA-N 0 1 280.375 3.609 20 0 CHADMN COc1cccnc1Nc1ccnc(C(C)(C)C)c1 ZINC001213163177 1134433490 /nfs/dbraw/zinc/43/34/90/1134433490.db2.gz XDCWVSGDNSFOKJ-UHFFFAOYSA-N 0 1 257.337 3.526 20 0 CHADMN COc1cc(Nc2ccccc2N2CCCC2)ncc1C ZINC001213605506 1134467607 /nfs/dbraw/zinc/46/76/07/1134467607.db2.gz AMTQBALBMYCPJN-UHFFFAOYSA-N 0 1 283.375 3.742 20 0 CHADMN Cc1cc([C@H]2CCCCN2C(=O)O[C@H](C)CC(C)C)n[nH]1 ZINC001213854419 1134491050 /nfs/dbraw/zinc/49/10/50/1134491050.db2.gz ULPDFDQBHNGFAO-UKRRQHHQSA-N 0 1 293.411 3.816 20 0 CHADMN FC(F)(F)Cc1ccc(Nc2ccc3nccn3c2)cn1 ZINC001213908660 1134496016 /nfs/dbraw/zinc/49/60/16/1134496016.db2.gz LPEGEBAQGSMGNQ-UHFFFAOYSA-N 0 1 292.264 3.578 20 0 CHADMN Nc1ccccc1C(=S)Nc1cc(F)c(O)c(Cl)c1 ZINC001214489403 1134545186 /nfs/dbraw/zinc/54/51/86/1134545186.db2.gz CBWCVULESGXZFB-UHFFFAOYSA-N 0 1 296.754 3.555 20 0 CHADMN COc1cncc(Nc2ccc(Cl)c(O)c2F)c1C ZINC001214793592 1134574135 /nfs/dbraw/zinc/57/41/35/1134574135.db2.gz HHCNRJZGJDNTOO-UHFFFAOYSA-N 0 1 282.702 3.640 20 0 CHADMN COc1ccc(O)c(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214799493 1134574599 /nfs/dbraw/zinc/57/45/99/1134574599.db2.gz VNQXHBCZCLBZPW-UHFFFAOYSA-N 0 1 283.686 3.643 20 0 CHADMN CCN(c1ccccc1N)c1ccc(Cl)c(O)c1F ZINC001214801140 1134574742 /nfs/dbraw/zinc/57/47/42/1134574742.db2.gz AOVQVBVMFXIOPL-UHFFFAOYSA-N 0 1 280.730 3.925 20 0 CHADMN CN(C)c1ccc(Nc2ccc(Cl)c(O)c2F)cc1 ZINC001214798944 1134575077 /nfs/dbraw/zinc/57/50/77/1134575077.db2.gz CMIXFQAQSKQRIR-UHFFFAOYSA-N 0 1 280.730 3.994 20 0 CHADMN O=C1OCc2cc(Nc3ccc(Cl)c(O)c3F)ccc21 ZINC001214799551 1134575670 /nfs/dbraw/zinc/57/56/70/1134575670.db2.gz XWVIDXNSBSYSGC-UHFFFAOYSA-N 0 1 293.681 3.599 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccc3c(c2)[C@H](O)CC3)c1F ZINC001214808951 1134576177 /nfs/dbraw/zinc/57/61/77/1134576177.db2.gz AGROVLCUHZDKKG-CYBMUJFWSA-N 0 1 293.725 3.908 20 0 CHADMN Nc1cc2c(ccn2-c2ccc(Cl)c(O)c2F)c(F)c1 ZINC001214804416 1134576503 /nfs/dbraw/zinc/57/65/03/1134576503.db2.gz RSESZXUKSCTWPX-UHFFFAOYSA-N 0 1 294.688 3.850 20 0 CHADMN OCc1cccc(F)c1Nc1ccc(Cl)c(O)c1F ZINC001214806621 1134576778 /nfs/dbraw/zinc/57/67/78/1134576778.db2.gz KJIPLSMQTGTQGF-UHFFFAOYSA-N 0 1 285.677 3.560 20 0 CHADMN C[C@@H](NCc1cnns1)c1cccc2ccccc21 ZINC000400236579 1134580343 /nfs/dbraw/zinc/58/03/43/1134580343.db2.gz REUSKRRWUAYFMN-LLVKDONJSA-N 0 1 269.373 3.542 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1c(C)cc(CO)cc1C ZINC001214951799 1134585228 /nfs/dbraw/zinc/58/52/28/1134585228.db2.gz HWYXYAKOLDNMCY-UHFFFAOYSA-N 0 1 299.349 3.635 20 0 CHADMN CN(C)c1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1Cl ZINC000401536849 1134615666 /nfs/dbraw/zinc/61/56/66/1134615666.db2.gz FOEOMCWUHHNGGW-CYBMUJFWSA-N 0 1 290.798 3.619 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)N[C@@H]1CCCc2n[nH]cc21 ZINC000401626787 1134617877 /nfs/dbraw/zinc/61/78/77/1134617877.db2.gz AYWIFFQKQKVDHG-CZUORRHYSA-N 0 1 299.418 3.925 20 0 CHADMN CC(C)COc1cccc(N[C@@H]2CCCc3[nH]ncc32)c1 ZINC000401622326 1134618301 /nfs/dbraw/zinc/61/83/01/1134618301.db2.gz WYGCDSCZAMKSNP-MRXNPFEDSA-N 0 1 285.391 3.934 20 0 CHADMN CCCOc1cccc(N[C@@H]2CCCc3[nH]ncc32)c1 ZINC000401950411 1134626871 /nfs/dbraw/zinc/62/68/71/1134626871.db2.gz PRUIFNRXGNMSPT-OAHLLOKOSA-N 0 1 271.364 3.688 20 0 CHADMN CCCOc1cccc(N[C@H]2CCCc3[nH]ncc32)c1 ZINC000401950407 1134627247 /nfs/dbraw/zinc/62/72/47/1134627247.db2.gz PRUIFNRXGNMSPT-HNNXBMFYSA-N 0 1 271.364 3.688 20 0 CHADMN CC(C)(C)c1cc(Nc2cc3n[nH]cc3c(F)c2)on1 ZINC001215553099 1134639397 /nfs/dbraw/zinc/63/93/97/1134639397.db2.gz OTOYMPXFJKNHLH-UHFFFAOYSA-N 0 1 274.299 3.731 20 0 CHADMN O=c1[nH]cc(Nc2cc3[nH]ncc3c(F)c2)c2ccccc12 ZINC001215553796 1134639581 /nfs/dbraw/zinc/63/95/81/1134639581.db2.gz HXUCNNSESIQHLN-UHFFFAOYSA-N 0 1 294.289 3.699 20 0 CHADMN COc1ccc(F)cc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555462 1134640458 /nfs/dbraw/zinc/64/04/58/1134640458.db2.gz KQNIPXZXCNBDNQ-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN COC(=O)c1cc(Nc2cc3[nH]ncc3c(F)c2)ccc1C ZINC001215556128 1134640483 /nfs/dbraw/zinc/64/04/83/1134640483.db2.gz VQCQLJKKULHDST-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN COc1ccc(C)cc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215554996 1134640864 /nfs/dbraw/zinc/64/08/64/1134640864.db2.gz OYCDZKNDGNFMEM-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN CC(C)c1cccnc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215554929 1134641095 /nfs/dbraw/zinc/64/10/95/1134641095.db2.gz LUCPCVGNGGKZPZ-UHFFFAOYSA-N 0 1 270.311 3.964 20 0 CHADMN Nc1cc(Cl)cc(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215558851 1134642090 /nfs/dbraw/zinc/64/20/90/1134642090.db2.gz ZWSPGIITZZQPMJ-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN Oc1ccc(Cl)c(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215556919 1134642326 /nfs/dbraw/zinc/64/23/26/1134642326.db2.gz MPSCFPAUGIEXFF-UHFFFAOYSA-N 0 1 277.686 3.805 20 0 CHADMN COCc1ccc(Cl)c(Nc2nnc(C(C)(C)C)o2)c1 ZINC001215594006 1134649606 /nfs/dbraw/zinc/64/96/06/1134649606.db2.gz JRVQZGNPESNVOK-UHFFFAOYSA-N 0 1 295.770 3.911 20 0 CHADMN COc1cc(Nc2cnc3cccc(C)n23)cc(C)c1F ZINC001215701846 1134661353 /nfs/dbraw/zinc/66/13/53/1134661353.db2.gz UVLOYYFEUOLIPA-UHFFFAOYSA-N 0 1 285.322 3.842 20 0 CHADMN Cc1ccc(Nc2ccc3c(c2)OCCCO3)c2cn[nH]c21 ZINC001215756925 1134674665 /nfs/dbraw/zinc/67/46/65/1134674665.db2.gz GYMFEFFMZFRSBE-UHFFFAOYSA-N 0 1 295.342 3.776 20 0 CHADMN Cc1ccc(Nc2cc(C(C)(C)C)nn2C)c2cn[nH]c21 ZINC001215755262 1134674738 /nfs/dbraw/zinc/67/47/38/1134674738.db2.gz LOIBAWJPPIJBNU-UHFFFAOYSA-N 0 1 283.379 3.646 20 0 CHADMN Cc1ccc(Nc2cnc3c(ccn3C)c2)c2cn[nH]c21 ZINC001215755649 1134674805 /nfs/dbraw/zinc/67/48/05/1134674805.db2.gz VMEKWRBHNFQWHQ-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1ccc(Nc2cn(C3CCC3)cn2)c2cn[nH]c21 ZINC001215755823 1134674887 /nfs/dbraw/zinc/67/48/87/1134674887.db2.gz DBFSMNRTWCHWIZ-UHFFFAOYSA-N 0 1 267.336 3.536 20 0 CHADMN COc1ncc(Nc2ccc(C)c3[nH]ncc32)cc1Cl ZINC001215756178 1134674975 /nfs/dbraw/zinc/67/49/75/1134674975.db2.gz LZXZMVDXLNJKQF-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1ccc(Nc2ncc(F)cc2Cl)c2cn[nH]c21 ZINC001215755982 1134674997 /nfs/dbraw/zinc/67/49/97/1134674997.db2.gz HCFZYIOCNXOHFP-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN COc1ccccc1Nc1ccc(C)c2[nH]ncc21 ZINC001215757055 1134675027 /nfs/dbraw/zinc/67/50/27/1134675027.db2.gz JWQVPSWNSHWJRD-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cc1ccc(Nc2ccc3[nH]c(=O)sc3c2)c2cn[nH]c21 ZINC001215757947 1134676272 /nfs/dbraw/zinc/67/62/72/1134676272.db2.gz ALLSXPUDHPGORY-UHFFFAOYSA-N 0 1 296.355 3.930 20 0 CHADMN Cc1ccc(Nc2ccc(O)c(F)c2F)c2cn[nH]c21 ZINC001215757364 1134676574 /nfs/dbraw/zinc/67/65/74/1134676574.db2.gz PKAQRITZUTXJTB-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1ccc(Nc2c(O)cccc2Cl)c2cn[nH]c21 ZINC001215758401 1134676706 /nfs/dbraw/zinc/67/67/06/1134676706.db2.gz SLMGGSMAJSJNIV-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1ccc(Nc2c(Cl)cccc2CO)c2cn[nH]c21 ZINC001215758830 1134677257 /nfs/dbraw/zinc/67/72/57/1134677257.db2.gz ZNZFKVLZRWFHGB-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN COc1ccc(F)c(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215759173 1134677338 /nfs/dbraw/zinc/67/73/38/1134677338.db2.gz IFMZRKSFELLLTD-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN COc1cc(F)c(F)cc1Nc1ccc(C)c2[nH]ncc21 ZINC001215759767 1134677655 /nfs/dbraw/zinc/67/76/55/1134677655.db2.gz UQUYARMOMNTFIX-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN CC(=O)c1ccc(F)cc1Nc1ccc(C)c2[nH]ncc21 ZINC001215759551 1134677732 /nfs/dbraw/zinc/67/77/32/1134677732.db2.gz OBDBLYMEZGBPNY-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN Cc1ccc(Nc2cc(Cl)ccc2N)c2cn[nH]c21 ZINC001215758751 1134677739 /nfs/dbraw/zinc/67/77/39/1134677739.db2.gz WRUQOJGTENYMQW-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1ccc(Nc2cc(N)cc(Cl)c2)c2cn[nH]c21 ZINC001215760641 1134678883 /nfs/dbraw/zinc/67/88/83/1134678883.db2.gz SKDDXYBIRAZKBY-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1cc(C[C@@H](C)Nc2cc(Cl)cc3[nH]ncc32)on1 ZINC001215857199 1134703734 /nfs/dbraw/zinc/70/37/34/1134703734.db2.gz CNPTURBUGXIXBI-MRVPVSSYSA-N 0 1 290.754 3.556 20 0 CHADMN Cn1ncc2ccc(Nc3cc(Cl)cc4[nH]ncc43)cc21 ZINC001215858829 1134704292 /nfs/dbraw/zinc/70/42/92/1134704292.db2.gz FDCNNRLTUQWGJR-UHFFFAOYSA-N 0 1 297.749 3.847 20 0 CHADMN Cn1ccc2cc(Nc3cc(Cl)cc4[nH]ncc43)cnc21 ZINC001215857637 1134704739 /nfs/dbraw/zinc/70/47/39/1134704739.db2.gz UUELWYQJFOXTIV-UHFFFAOYSA-N 0 1 297.749 3.847 20 0 CHADMN Clc1cc2[nH]ncc2c(Nc2ccc3c(c2)COC3)c1 ZINC001215859570 1134705226 /nfs/dbraw/zinc/70/52/26/1134705226.db2.gz OJLOVHGDRYPHLQ-UHFFFAOYSA-N 0 1 285.734 3.990 20 0 CHADMN Clc1cc2[nH]ncc2c(Nc2cccc3c2COC3)c1 ZINC001215861607 1134705354 /nfs/dbraw/zinc/70/53/54/1134705354.db2.gz JFFMKDPJGPJLMJ-UHFFFAOYSA-N 0 1 285.734 3.990 20 0 CHADMN Cc1cc(N)c(Nc2cc(Cl)cc3[nH]ncc32)cc1F ZINC001215861011 1134705678 /nfs/dbraw/zinc/70/56/78/1134705678.db2.gz PYOYAHUMQDYTIC-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN Cc1ccccc1-c1noc(-c2cccc(F)c2O)n1 ZINC001215863400 1134707243 /nfs/dbraw/zinc/70/72/43/1134707243.db2.gz ZPJGFEAYSPSZOD-UHFFFAOYSA-N 0 1 270.263 3.557 20 0 CHADMN Nc1nc2ccccc2n1-c1c(F)ccc(C2CC2)c1F ZINC001215991226 1134743819 /nfs/dbraw/zinc/74/38/19/1134743819.db2.gz DAAZMAPUTBPJPY-UHFFFAOYSA-N 0 1 285.297 3.763 20 0 CHADMN CN(C)c1ccc(Nc2ccc3nccn3c2)cc1Cl ZINC001216059442 1134763987 /nfs/dbraw/zinc/76/39/87/1134763987.db2.gz IEQXHSWCTGNHHH-UHFFFAOYSA-N 0 1 286.766 3.797 20 0 CHADMN Cc1ncc(Nc2cc(-c3ccccc3)cnc2F)n1C ZINC001216072316 1134766078 /nfs/dbraw/zinc/76/60/78/1134766078.db2.gz YMYNPFUKYGCDCB-UHFFFAOYSA-N 0 1 282.322 3.673 20 0 CHADMN Cc1cc(C)nc(Nc2cc(C)c(CO)c(C)c2)c1 ZINC001216117080 1134782564 /nfs/dbraw/zinc/78/25/64/1134782564.db2.gz FANWNSBXMFVGGN-UHFFFAOYSA-N 0 1 256.349 3.551 20 0 CHADMN Cc1cnc(Nc2cccc(CN(C)C)c2F)c(Cl)c1 ZINC001216227797 1134813905 /nfs/dbraw/zinc/81/39/05/1134813905.db2.gz KKMMWFGIWNKGBZ-UHFFFAOYSA-N 0 1 293.773 3.988 20 0 CHADMN Cc1cccc(O)c1Nc1cccc(CN(C)C)c1F ZINC001216231256 1134815383 /nfs/dbraw/zinc/81/53/83/1134815383.db2.gz FSOTVEJBIXFATP-UHFFFAOYSA-N 0 1 274.339 3.645 20 0 CHADMN COc1cccc(Nc2cccc(CN(C)C)c2F)c1C ZINC001216231372 1134815451 /nfs/dbraw/zinc/81/54/51/1134815451.db2.gz HJOOMBMSYKHTFY-UHFFFAOYSA-N 0 1 288.366 3.948 20 0 CHADMN CNc1cc(Nc2c(Cl)ccc([O-])c2Cl)cc[nH+]1 ZINC001216335011 1134858838 /nfs/dbraw/zinc/85/88/38/1134858838.db2.gz GHVHXYJRSBELLB-UHFFFAOYSA-N 0 1 284.146 3.879 20 0 CHADMN c1ncn(Cc2ccccc2)c1Nc1cnccc1C1CC1 ZINC001216550821 1134917733 /nfs/dbraw/zinc/91/77/33/1134917733.db2.gz QFXNEEYBAVQWJF-UHFFFAOYSA-N 0 1 290.370 3.947 20 0 CHADMN Clc1ncccc1Nc1cncn1Cc1ccccc1 ZINC001216548998 1134918458 /nfs/dbraw/zinc/91/84/58/1134918458.db2.gz LCTRHLWXLITNEU-UHFFFAOYSA-N 0 1 284.750 3.723 20 0 CHADMN COc1ccc(F)c(Nc2cncn2Cc2ccccc2)c1 ZINC001216553902 1134920045 /nfs/dbraw/zinc/92/00/45/1134920045.db2.gz XDKBKCRPDJCUNU-UHFFFAOYSA-N 0 1 297.333 3.823 20 0 CHADMN N#Cc1ccc(CNCc2cccc(C(F)F)c2)cc1F ZINC000404587843 1134946985 /nfs/dbraw/zinc/94/69/85/1134946985.db2.gz ODNDLEFKIJGJNL-UHFFFAOYSA-N 0 1 290.288 3.925 20 0 CHADMN Clc1ccc(-c2noc(-c3cnc4[nH]cccc3-4)n2)cc1 ZINC001217146269 1134965254 /nfs/dbraw/zinc/96/52/54/1134965254.db2.gz QRMHJKRAJXCLJO-UHFFFAOYSA-N 0 1 296.717 3.933 20 0 CHADMN Cc1ccccc1-c1noc(-c2n[nH]c3c2cccc3F)n1 ZINC001217322528 1134971465 /nfs/dbraw/zinc/97/14/65/1134971465.db2.gz ADQRCDJNYQICHU-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1cc(-c2noc(-c3ccc4occc4c3O)n2)ccn1 ZINC001217513767 1134981629 /nfs/dbraw/zinc/98/16/29/1134981629.db2.gz HDDVSMAHWXXOIN-UHFFFAOYSA-N 0 1 293.282 3.559 20 0 CHADMN Cc1n[nH]c2ccc(-c3nc(-c4ccc(C)cc4)no3)cc12 ZINC001217574644 1134984219 /nfs/dbraw/zinc/98/42/19/1134984219.db2.gz BTIROMABLAFHIM-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN CN[C@@H](Cc1ccccc1)c1nnc(-c2cccc(C)c2)o1 ZINC001217704778 1134988923 /nfs/dbraw/zinc/98/89/23/1134988923.db2.gz XWEAGHSEODXIRV-INIZCTEOSA-N 0 1 293.370 3.548 20 0 CHADMN c1ccc(Oc2cccc(-c3nnc([C@H]4CCN4)o3)c2)cc1 ZINC001217717476 1134990308 /nfs/dbraw/zinc/99/03/08/1134990308.db2.gz CNMDGFBWHYBIMM-OAHLLOKOSA-N 0 1 293.326 3.563 20 0 CHADMN CCc1ccc(-c2nnc([C@@H](CC(C)C)NC)o2)cc1 ZINC001217715760 1134990881 /nfs/dbraw/zinc/99/08/81/1134990881.db2.gz YKZQJKADYMVIKO-CQSZACIVSA-N 0 1 273.380 3.606 20 0 CHADMN CN[C@@H](CC1CCCCC1)c1nnc(CC(C)(C)C)o1 ZINC001217728657 1134992400 /nfs/dbraw/zinc/99/24/00/1134992400.db2.gz VGOORCTVLQGAFE-ZDUSSCGKSA-N 0 1 279.428 3.889 20 0 CHADMN CC[C@H](C)[C@H](NC)c1nnc(Cc2ccccc2Cl)o1 ZINC001217723228 1134992851 /nfs/dbraw/zinc/99/28/51/1134992851.db2.gz OPMSPIXWXQRQNE-HZMBPMFUSA-N 0 1 293.798 3.620 20 0 CHADMN CN[C@H](c1nnc(CCC2CCCCC2)o1)C(C)(C)C ZINC001217736437 1134993858 /nfs/dbraw/zinc/99/38/58/1134993858.db2.gz JXBIUCCIPHGFTJ-CQSZACIVSA-N 0 1 279.428 3.889 20 0 CHADMN CCCCC[C@H](NC)c1nnc(-c2ccc(OC)cc2)o1 ZINC001217755969 1134995302 /nfs/dbraw/zinc/99/53/02/1134995302.db2.gz IJOLXRYBFLOYKH-AWEZNQCLSA-N 0 1 289.379 3.586 20 0 CHADMN C[C@@H]1CCC[C@H](OCc2cccc3nc[nH]c32)[C@H]1C ZINC001217892130 1135018254 /nfs/dbraw/zinc/01/82/54/1135018254.db2.gz CHZGZRLHPRYJCK-XUJVJEKNSA-N 0 1 258.365 3.904 20 0 CHADMN COc1cc(F)cc(CNc2ccc3[nH]c(C)nc3c2)c1 ZINC000312262240 1135132940 /nfs/dbraw/zinc/13/29/40/1135132940.db2.gz ZHPMCOTXWWPBTM-UHFFFAOYSA-N 0 1 285.322 3.631 20 0 CHADMN COc1cccc2cc(CN[C@H](C)c3cccc(O)c3)oc21 ZINC000315262770 1135151733 /nfs/dbraw/zinc/15/17/33/1135151733.db2.gz XNYCWRJWMLESPI-GFCCVEGCSA-N 0 1 297.354 3.998 20 0 CHADMN CC1(C)CCN(Cc2cccc(O)c2Br)CC1 ZINC000315778940 1135160520 /nfs/dbraw/zinc/16/05/20/1135160520.db2.gz DTMBSEAJOZNFJI-UHFFFAOYSA-N 0 1 298.224 3.777 20 0 CHADMN Cc1noc([C@H](NCC[C@@H](C)c2ccccc2)C(C)C)n1 ZINC000194440013 1135162271 /nfs/dbraw/zinc/16/22/71/1135162271.db2.gz CITNQDUKKHEAKO-CZUORRHYSA-N 0 1 287.407 3.859 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000316772004 1135169029 /nfs/dbraw/zinc/16/90/29/1135169029.db2.gz CRPLGOPOOPGDQM-IBGZPJMESA-N 0 1 297.398 3.917 20 0 CHADMN Cc1cc(C)c(COC2CCN(CCF)CC2)c(C)c1 ZINC001222898800 1135280573 /nfs/dbraw/zinc/28/05/73/1135280573.db2.gz DBSVGKAZMTWFMZ-UHFFFAOYSA-N 0 1 279.399 3.562 20 0 CHADMN CC(C)c1ccccc1COC1CCN(CCF)CC1 ZINC001223908568 1135396802 /nfs/dbraw/zinc/39/68/02/1135396802.db2.gz XXACMHTYTWGNEN-UHFFFAOYSA-N 0 1 279.399 3.761 20 0 CHADMN CC(C)CCC[C@H](C)CCO[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001224770615 1135480284 /nfs/dbraw/zinc/48/02/84/1135480284.db2.gz CCNWLFVJRFIXIJ-CWLKWCNXSA-N 0 1 295.467 3.660 20 0 CHADMN CC(C)N1CC(OCCCCCc2ccccc2)C1 ZINC001224805813 1135484506 /nfs/dbraw/zinc/48/45/06/1135484506.db2.gz FHIXFUBGXCGYCI-UHFFFAOYSA-N 0 1 261.409 3.509 20 0 CHADMN c1ccc2c(c1)CN1CC[C@H](OCC3=CCCCC3)C1=N2 ZINC001224998008 1135500378 /nfs/dbraw/zinc/50/03/78/1135500378.db2.gz NOMDNLNUJOJUDL-KRWDZBQOSA-N 0 1 282.387 3.822 20 0 CHADMN C[N@H+]1CCC[C@@H](Oc2ccc(SC(F)(F)F)cc2)C1 ZINC001225792702 1135623374 /nfs/dbraw/zinc/62/33/74/1135623374.db2.gz QFJQOAWHVCHFOF-LLVKDONJSA-N 0 1 291.338 3.772 20 0 CHADMN CC(C)[C@H](Oc1cccc2[nH]nnc21)c1ccccc1 ZINC001225991087 1135649636 /nfs/dbraw/zinc/64/96/36/1135649636.db2.gz SSKKBLRHIMDKPU-INIZCTEOSA-N 0 1 267.332 3.734 20 0 CHADMN Cc1cc(=O)[nH]c(O[C@@H](C)c2cc(Cl)ccc2Cl)n1 ZINC001226159432 1135668771 /nfs/dbraw/zinc/66/87/71/1135668771.db2.gz MBUHXZJCCGBDEG-QMMMGPOBSA-N 0 1 299.157 3.937 20 0 CHADMN Cc1cc(=O)[nH]c(OC(c2ccccc2)c2ccccc2)n1 ZINC001226156550 1135668886 /nfs/dbraw/zinc/66/88/86/1135668886.db2.gz OFCIMTRAYNBEEP-UHFFFAOYSA-N 0 1 292.338 3.659 20 0 CHADMN Cc1cc(=O)[nH]c(O[C@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC001226157428 1135669310 /nfs/dbraw/zinc/66/93/10/1135669310.db2.gz YSTRUVHUTLTKBY-SECBINFHSA-N 0 1 298.264 3.649 20 0 CHADMN CC(C)[C@H](Oc1n[nH]c2ncccc12)c1ccccc1 ZINC001226301825 1135682620 /nfs/dbraw/zinc/68/26/20/1135682620.db2.gz GGIUVSGUCJRBPJ-AWEZNQCLSA-N 0 1 267.332 3.734 20 0 CHADMN C[C@H]1CC[C@H](Oc2cc(N)nc3ccccc32)CC1 ZINC001226422954 1135694598 /nfs/dbraw/zinc/69/45/98/1135694598.db2.gz OYMJDDNWQFFTHT-HAQNSBGRSA-N 0 1 256.349 3.775 20 0 CHADMN CCCC(=O)[C@H](CCC)Oc1nc2ccc(C)cc2[nH]1 ZINC001226505038 1135705027 /nfs/dbraw/zinc/70/50/27/1135705027.db2.gz CZPJVINPBOLBRL-HNNXBMFYSA-N 0 1 274.364 3.788 20 0 CHADMN Cc1ccc2nc(O[C@H]3COCc4ccccc43)[nH]c2c1 ZINC001226510667 1135706184 /nfs/dbraw/zinc/70/61/84/1135706184.db2.gz ZNBJFHNRPLLHKS-INIZCTEOSA-N 0 1 280.327 3.522 20 0 CHADMN CCN1CC[C@@H](Oc2nc(Cl)c(Cl)cc2Cl)C1 ZINC001226885293 1135755543 /nfs/dbraw/zinc/75/55/43/1135755543.db2.gz FOLQQUQEJASPGJ-SSDOTTSWSA-N 0 1 295.597 3.515 20 0 CHADMN C[C@H](Oc1ccc2nc[nH]c2c1)c1ccc(F)c(F)c1 ZINC001226927703 1135761713 /nfs/dbraw/zinc/76/17/13/1135761713.db2.gz AAIWDWZTGWPVIF-VIFPVBQESA-N 0 1 274.270 3.981 20 0 CHADMN C[C@H](COc1ccc2nc[nH]c2c1)OCc1ccccc1 ZINC001226928533 1135761734 /nfs/dbraw/zinc/76/17/34/1135761734.db2.gz NICOJKYMKDPOBP-CYBMUJFWSA-N 0 1 282.343 3.547 20 0 CHADMN FC(F)(F)[C@@H](Oc1ccc2nc[nH]c2c1)c1cccnc1 ZINC001226929044 1135762633 /nfs/dbraw/zinc/76/26/33/1135762633.db2.gz WSEXUVFXUKGZFM-ZDUSSCGKSA-N 0 1 293.248 3.640 20 0 CHADMN Cc1ccc(OC[C@@H](C)Oc2ccc3nc[nH]c3c2)cc1 ZINC001226930247 1135762890 /nfs/dbraw/zinc/76/28/90/1135762890.db2.gz QMSSTPITJXGXRE-CYBMUJFWSA-N 0 1 282.343 3.718 20 0 CHADMN C[C@@H](Oc1nc2ccc(Cl)cc2[nH]1)C1CCC1 ZINC001227262546 1135813366 /nfs/dbraw/zinc/81/33/66/1135813366.db2.gz RVDJDIOEZAVDIK-MRVPVSSYSA-N 0 1 250.729 3.784 20 0 CHADMN CO[C@@H](COc1nc2cccc(C)c2[nH]1)c1ccccc1 ZINC001227273463 1135813903 /nfs/dbraw/zinc/81/39/03/1135813903.db2.gz YAOXJVHHBCMHSS-HNNXBMFYSA-N 0 1 282.343 3.638 20 0 CHADMN CC(=O)c1cccc(Cl)c1OC1CCN(C2CC2)CC1 ZINC001227304090 1135819311 /nfs/dbraw/zinc/81/93/11/1135819311.db2.gz OMVGLRIJPSKQSR-UHFFFAOYSA-N 0 1 293.794 3.548 20 0 CHADMN C[C@@H](Oc1ncnc2nc[nH]c21)c1cc2ccccc2s1 ZINC001227530747 1135843802 /nfs/dbraw/zinc/84/38/02/1135843802.db2.gz AUUHERHMBRPEBT-SECBINFHSA-N 0 1 296.355 3.708 20 0 CHADMN Cc1cccc2c1OCC[C@H]2NCc1ccccc1F ZINC000082503039 178066903 /nfs/dbraw/zinc/06/69/03/178066903.db2.gz MLXWWRCKSCTDEI-MRXNPFEDSA-N 0 1 271.335 3.748 20 0 CHADMN COc1cccc2c1OCC[C@@H]2NCc1ccc(C)cc1 ZINC000082504615 178069370 /nfs/dbraw/zinc/06/93/70/178069370.db2.gz LRTUCBHHMGJTQM-INIZCTEOSA-N 0 1 283.371 3.617 20 0 CHADMN Clc1ccc2nc(NCc3ccccc3)[nH]c2c1 ZINC000082739904 178262355 /nfs/dbraw/zinc/26/23/55/178262355.db2.gz FCURLBVZJKNUKS-UHFFFAOYSA-N 0 1 257.724 3.828 20 0 CHADMN CC[C@H](NCc1cc(Cl)ccc1OC)c1ccncc1 ZINC000344525749 529624004 /nfs/dbraw/zinc/62/40/04/529624004.db2.gz CWTGVGVVGJFRKT-HNNXBMFYSA-N 0 1 290.794 3.985 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccc3n[nH]cc3c2)o1 ZINC000353102759 529657560 /nfs/dbraw/zinc/65/75/60/529657560.db2.gz PRLIQHNNYIGJKS-LLVKDONJSA-N 0 1 269.348 3.569 20 0 CHADMN CC[C@H](N[C@H](c1nccn1C)C1CC1)c1ccc(F)cc1 ZINC000353864017 529669318 /nfs/dbraw/zinc/66/93/18/529669318.db2.gz HYJJQOOJNQGFJS-HOTGVXAUSA-N 0 1 287.382 3.751 20 0 CHADMN CCc1nc(CN(Cc2ccc(C(C)C)cc2)C2CC2)n[nH]1 ZINC000347357256 529735519 /nfs/dbraw/zinc/73/55/19/529735519.db2.gz FVOUFYXBAQENCV-UHFFFAOYSA-N 0 1 298.434 3.655 20 0 CHADMN CN(C)c1cccnc1CNCc1cc2ccccc2s1 ZINC000353214786 529796538 /nfs/dbraw/zinc/79/65/38/529796538.db2.gz DGYFKYIDMIJYTI-UHFFFAOYSA-N 0 1 297.427 3.652 20 0 CHADMN CN(C/C=C/c1ccc(F)cc1F)Cc1ccccn1 ZINC000350385852 529820061 /nfs/dbraw/zinc/82/00/61/529820061.db2.gz ADYJJDWWZCUNHW-SNAWJCMRSA-N 0 1 274.314 3.505 20 0 CHADMN CN(Cc1cscc1Br)C1CCCC1 ZINC000347640748 530019953 /nfs/dbraw/zinc/01/99/53/530019953.db2.gz QQYUJENLTXUXPQ-UHFFFAOYSA-N 0 1 274.227 3.885 20 0 CHADMN CN(Cc1ncc(C2CC2)o1)C1CCC(F)(F)CC1 ZINC000347578001 530024623 /nfs/dbraw/zinc/02/46/23/530024623.db2.gz AJVIGPMINYVYBC-UHFFFAOYSA-N 0 1 270.323 3.562 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@H](O)C(C)(C)C ZINC000310747883 260226988 /nfs/dbraw/zinc/22/69/88/260226988.db2.gz HALXIRFFKYQFDX-FZMZJTMJSA-N 0 1 269.816 3.740 20 0 CHADMN Cn1cc(Cl)c(CN[C@@H]2CCCC23CCCCC3)n1 ZINC000313022073 260236454 /nfs/dbraw/zinc/23/64/54/260236454.db2.gz AYAIOIGEOWSFNG-CQSZACIVSA-N 0 1 281.831 3.666 20 0 CHADMN C[C@@H]1CN(Cc2cc(Cl)cs2)C[C@@H](C)S1 ZINC000573871696 334973591 /nfs/dbraw/zinc/97/35/91/334973591.db2.gz OFUMAJVRHDTKFR-RKDXNWHRSA-N 0 1 261.843 3.727 20 0 CHADMN CCc1ccc(CNCc2ccc3c(n2)CCCC3)s1 ZINC000564524136 370693944 /nfs/dbraw/zinc/69/39/44/370693944.db2.gz UQLYUFKTLXKVFP-UHFFFAOYSA-N 0 1 286.444 3.874 20 0 CHADMN Cc1cc(C)cc(C2=CCN(Cc3ccnc(C)n3)CC2)c1 ZINC000352865361 227355930 /nfs/dbraw/zinc/35/59/30/227355930.db2.gz YYBDDKURJRCKFV-UHFFFAOYSA-N 0 1 293.414 3.691 20 0 CHADMN CC[C@H](C)CN(C)Cc1nnc(-c2ccccc2)s1 ZINC000155219373 261099378 /nfs/dbraw/zinc/09/93/78/261099378.db2.gz QGJSUUKCGOJEGY-LBPRGKRZSA-N 0 1 275.421 3.683 20 0 CHADMN CCO[C@@H]1C[C@@H]1N[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000574266871 335004918 /nfs/dbraw/zinc/00/49/18/335004918.db2.gz VLZJJLNNDYTGJD-OTWHNJEPSA-N 0 1 297.398 3.552 20 0 CHADMN CC[C@@H]1CN(Cc2ccnc3ccccc23)C[C@H](CC)O1 ZINC000574267509 335005151 /nfs/dbraw/zinc/00/51/51/335005151.db2.gz KGNFHZQARQZVRU-IYBDPMFKSA-N 0 1 284.403 3.624 20 0 CHADMN C[C@H]1c2c(F)cccc2CCN1Cc1cccc(N)c1 ZINC000574324372 335010589 /nfs/dbraw/zinc/01/05/89/335010589.db2.gz IMVVFXISYWHFOZ-LBPRGKRZSA-N 0 1 270.351 3.527 20 0 CHADMN C[C@@H]1CN(Cc2cccc3c2OC(C)(C)C3)CCC1(F)F ZINC000574368570 335014052 /nfs/dbraw/zinc/01/40/52/335014052.db2.gz MGLKBODAGSJOLE-GFCCVEGCSA-N 0 1 295.373 3.877 20 0 CHADMN CCC[C@H](O)CN(Cc1ccccn1)Cc1ccccc1C ZINC000574522858 335026589 /nfs/dbraw/zinc/02/65/89/335026589.db2.gz FTWSHAFSUIBFKZ-IBGZPJMESA-N 0 1 298.430 3.553 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CC[C@@H](OC(C)C)C1 ZINC000574570514 335030293 /nfs/dbraw/zinc/03/02/93/335030293.db2.gz HEMVNFDEXJVWGB-CZUORRHYSA-N 0 1 283.362 3.915 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000576685385 335234431 /nfs/dbraw/zinc/23/44/31/335234431.db2.gz VSGAFUJMRFDEQE-GOEBONIOSA-N 0 1 281.440 3.780 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2cncc(C)c2)cc1F ZINC000184348779 262017660 /nfs/dbraw/zinc/01/76/60/262017660.db2.gz GPCTZJKZDBZNRQ-ZDUSSCGKSA-N 0 1 288.366 3.779 20 0 CHADMN CSc1ccc(CNCc2ccnc(SC)c2)s1 ZINC000352792447 532958215 /nfs/dbraw/zinc/95/82/15/532958215.db2.gz AHWOXASLOCYYLZ-UHFFFAOYSA-N 0 1 296.486 3.877 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1ccc2occc2c1 ZINC000352742618 533140606 /nfs/dbraw/zinc/14/06/06/533140606.db2.gz PDXUEYAKPKJNIG-GFCCVEGCSA-N 0 1 282.343 3.687 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnn1C)c1ccccc1C(F)(F)F ZINC000447529310 260036429 /nfs/dbraw/zinc/03/64/29/260036429.db2.gz LNRHKNQDWLNGMC-MNOVXSKESA-N 0 1 297.324 3.851 20 0 CHADMN C[C@@H](NC1CC(F)(F)C1)c1ccc2ccccc2n1 ZINC000336119340 533329793 /nfs/dbraw/zinc/32/97/93/533329793.db2.gz GVIUQEDOWJIXAX-SNVBAGLBSA-N 0 1 262.303 3.683 20 0 CHADMN COc1c(O)cccc1CNCc1c(C)oc2ccccc21 ZINC000344889175 533445217 /nfs/dbraw/zinc/44/52/17/533445217.db2.gz LGQYIUIMNXRVDK-UHFFFAOYSA-N 0 1 297.354 3.745 20 0 CHADMN C[C@@H](NCc1ccc2cc[nH]c2n1)c1ccc(F)c(F)c1 ZINC000353623648 533451961 /nfs/dbraw/zinc/45/19/61/533451961.db2.gz BYMGGWKPQPNRQQ-SNVBAGLBSA-N 0 1 287.313 3.692 20 0 CHADMN C[C@@H](NCc1ccc2occc2c1)c1cncc(F)c1 ZINC000352734968 533452474 /nfs/dbraw/zinc/45/24/74/533452474.db2.gz DPYDWNCZBALIKK-LLVKDONJSA-N 0 1 270.307 3.818 20 0 CHADMN C[C@@H](N[C@H]1CCCN(C)c2ccccc21)c1ccco1 ZINC000334685768 533540834 /nfs/dbraw/zinc/54/08/34/533540834.db2.gz BUJQHJSBRFYKAX-HIFRSBDPSA-N 0 1 270.376 3.902 20 0 CHADMN C[C@@H](N[C@H]1COc2ccc(F)cc21)c1cccs1 ZINC000336049042 533547731 /nfs/dbraw/zinc/54/77/31/533547731.db2.gz FKWQFGQBWDLCBI-SKDRFNHKSA-N 0 1 263.337 3.672 20 0 CHADMN COc1ccc(CN2CCc3ccccc3[C@H]2C)cc1OC ZINC000353399868 533570278 /nfs/dbraw/zinc/57/02/78/533570278.db2.gz DYXLNYRQZFKAFU-CQSZACIVSA-N 0 1 297.398 3.823 20 0 CHADMN C[C@@H]1CCCC[C@H]1c1noc(-c2cc3cccnc3[nH]2)n1 ZINC000333841815 533630581 /nfs/dbraw/zinc/63/05/81/533630581.db2.gz LIOHZGNNAHJLQU-ZYHUDNBSSA-N 0 1 282.347 3.907 20 0 CHADMN COc1cccc(OC)c1CN[C@@H]1CCCc2ccccc21 ZINC000352251344 533628898 /nfs/dbraw/zinc/62/88/98/533628898.db2.gz QCLYYCILCMGROH-QGZVFWFLSA-N 0 1 297.398 3.871 20 0 CHADMN Cc1cnn(CCN(C)Cc2cc(Cl)cc(Cl)c2)c1 ZINC000341834427 130065662 /nfs/dbraw/zinc/06/56/62/130065662.db2.gz KFHQPRQNALZPNI-UHFFFAOYSA-N 0 1 298.217 3.630 20 0 CHADMN C[C@@H](NCCc1cccc(F)c1F)c1c(F)cncc1F ZINC000353222016 130086094 /nfs/dbraw/zinc/08/60/94/130086094.db2.gz SNIMXTCHDIIRBG-SECBINFHSA-N 0 1 298.283 3.531 20 0 CHADMN Cc1cnn(CC[N@@H+](Cc2ccoc2)C2CCCCC2)c1 ZINC000341898779 130141135 /nfs/dbraw/zinc/14/11/35/130141135.db2.gz URWGJHDPVWVLHC-UHFFFAOYSA-N 0 1 287.407 3.619 20 0 CHADMN Cc1ccccc1[C@H](C)N(Cc1nccn1C)CC(C)C ZINC000342016783 130200746 /nfs/dbraw/zinc/20/07/46/130200746.db2.gz JYWJIJOUFIEHFC-INIZCTEOSA-N 0 1 285.435 3.948 20 0 CHADMN CC(C)C[C@H](N)c1noc(C2(c3ccccc3)CCC2)n1 ZINC000342022277 130204873 /nfs/dbraw/zinc/20/48/73/130204873.db2.gz JXOARGSICLNLOM-AWEZNQCLSA-N 0 1 285.391 3.586 20 0 CHADMN c1c(CN2CCC=C(c3ccccc3)C2)nc2ccccn12 ZINC000341985407 130208908 /nfs/dbraw/zinc/20/89/08/130208908.db2.gz XFJUPPANXMVQLP-UHFFFAOYSA-N 0 1 289.382 3.624 20 0 CHADMN CCSCCN(C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000342118765 130275994 /nfs/dbraw/zinc/27/59/94/130275994.db2.gz CNHOPAZXVQJRQP-QGZVFWFLSA-N 0 1 291.460 3.710 20 0 CHADMN CCSCCN(C)[C@]1(c2ccccc2)CCCCC1=O ZINC000342118758 130276506 /nfs/dbraw/zinc/27/65/06/130276506.db2.gz CNHOPAZXVQJRQP-KRWDZBQOSA-N 0 1 291.460 3.710 20 0 CHADMN Cc1ccc2nc(-c3cc(-n4ccnc4)cs3)[nH]c2c1 ZINC000342135718 130293620 /nfs/dbraw/zinc/29/36/20/130293620.db2.gz LCQJWWXQAVWGGE-UHFFFAOYSA-N 0 1 280.356 3.786 20 0 CHADMN Cc1nnc(CN(CC(C)(C)C)CC(C)(C)C)s1 ZINC000342159386 130350809 /nfs/dbraw/zinc/35/08/09/130350809.db2.gz UAQWJHBLZSAUJV-UHFFFAOYSA-N 0 1 269.458 3.741 20 0 CHADMN CC/C=C/CCN(C)Cc1nc2c(s1)CCCC2 ZINC000342206403 130384336 /nfs/dbraw/zinc/38/43/36/130384336.db2.gz RLSMSZQFMOYMDD-SNAWJCMRSA-N 0 1 264.438 3.810 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H](C)c1ccccc1F ZINC000353567690 533671738 /nfs/dbraw/zinc/67/17/38/533671738.db2.gz SHPQEUNEWGZWSR-SSDOTTSWSA-N 0 1 297.280 3.537 20 0 CHADMN COc1c(C)cnc(CN[C@@H](C)c2ccccc2)c1C ZINC000020035583 170974767 /nfs/dbraw/zinc/97/47/67/170974767.db2.gz ABXCKBDGICQSGV-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@@H](C)c1ccncc1 ZINC000020121478 171001472 /nfs/dbraw/zinc/00/14/72/171001472.db2.gz AUAASSGNXGEKAW-KBPBESRZSA-N 0 1 270.376 3.810 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2N[C@@H](C)c1ccccn1 ZINC000020123718 171004522 /nfs/dbraw/zinc/00/45/22/171004522.db2.gz UHXUTIIVTRFUGO-UGSOOPFHSA-N 0 1 282.387 3.818 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccccn2)cc1F ZINC000020123772 171004939 /nfs/dbraw/zinc/00/49/39/171004939.db2.gz GJUPDRDIXFXZPH-NEPJUHHUSA-N 0 1 274.339 3.641 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccccc2C)c1OC ZINC000020126293 171010534 /nfs/dbraw/zinc/01/05/34/171010534.db2.gz GKQLWVZTETYWEQ-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN COc1ccc(OC)c(CN[C@@H](C)c2ccccc2C)c1 ZINC000020126296 171010600 /nfs/dbraw/zinc/01/06/00/171010600.db2.gz HCHUFSHRKJYXRJ-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN C[C@H](NCc1ccccc1C(F)(F)F)c1cccnc1 ZINC000020127450 171012600 /nfs/dbraw/zinc/01/26/00/171012600.db2.gz KEKWGTMMHWIXOB-NSHDSACASA-N 0 1 280.293 3.951 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccnc1)c1ccc(F)c(F)c1 ZINC000020127744 171014138 /nfs/dbraw/zinc/01/41/38/171014138.db2.gz BGUZDIPVFIYRCB-MNOVXSKESA-N 0 1 262.303 3.772 20 0 CHADMN COc1ccc(OC)c([C@H](C)NCc2cccs2)c1 ZINC000020139168 171025957 /nfs/dbraw/zinc/02/59/57/171025957.db2.gz MFIKJNJSOCNRBI-NSHDSACASA-N 0 1 277.389 3.616 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cccc(Cl)c2)cn1 ZINC000020186378 171050108 /nfs/dbraw/zinc/05/01/08/171050108.db2.gz YSJBEPUQFCOUBO-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2ccc(C)o2)c1 ZINC000020187605 171052568 /nfs/dbraw/zinc/05/25/68/171052568.db2.gz UPPUVZPVFLRFHT-CHWSQXEVSA-N 0 1 286.375 3.958 20 0 CHADMN CCOc1ccccc1CN[C@H]1CCCc2occc21 ZINC000020203909 171068517 /nfs/dbraw/zinc/06/85/17/171068517.db2.gz IGIXAQZXUOBHOH-HNNXBMFYSA-N 0 1 271.360 3.846 20 0 CHADMN O=C(NCc1ccc(Cl)cc1)c1ccc(O)c(Cl)c1 ZINC000020213051 171075366 /nfs/dbraw/zinc/07/53/66/171075366.db2.gz OOZWBIRWJFLPHP-UHFFFAOYSA-N 0 1 296.153 3.629 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cccc(F)c1 ZINC000020307100 171142734 /nfs/dbraw/zinc/14/27/34/171142734.db2.gz DHXTYNLHTOVMSG-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN FC(F)(F)c1cccc(-c2noc([C@@H]3CCCCN3)n2)c1 ZINC000020545893 171243562 /nfs/dbraw/zinc/24/35/62/171243562.db2.gz QLEQLOXELOQIGZ-NSHDSACASA-N 0 1 297.280 3.570 20 0 CHADMN C[C@H](NCc1ccsc1)c1ccc(F)cc1F ZINC000035010772 171928152 /nfs/dbraw/zinc/92/81/52/171928152.db2.gz UXBACVCPYDMLCK-VIFPVBQESA-N 0 1 253.317 3.877 20 0 CHADMN C[C@@H](NCc1ccc(Br)s1)c1ccco1 ZINC000035137056 172003945 /nfs/dbraw/zinc/00/39/45/172003945.db2.gz TZUBHXZFWFTTDN-MRVPVSSYSA-N 0 1 286.194 3.954 20 0 CHADMN Cc1c([C@H](C)NCc2ccccc2C(F)(F)F)cnn1C ZINC000035276635 172097038 /nfs/dbraw/zinc/09/70/38/172097038.db2.gz BSZKNYVQCYZKJT-JTQLQIEISA-N 0 1 297.324 3.598 20 0 CHADMN c1coc(CCN[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000035661727 172339304 /nfs/dbraw/zinc/33/93/04/172339304.db2.gz GCOJXDNCRGMBBJ-SFHVURJKSA-N 0 1 278.355 3.596 20 0 CHADMN Fc1cccc(CN[C@@H]2CSCc3ccccc32)c1 ZINC000037247029 173060261 /nfs/dbraw/zinc/06/02/61/173060261.db2.gz SCPIGNXDUSPKEL-MRXNPFEDSA-N 0 1 273.376 3.903 20 0 CHADMN Cc1csc(CN[C@@H](C)c2cc(C)ccc2C)n1 ZINC000038090690 174104255 /nfs/dbraw/zinc/10/42/55/174104255.db2.gz MYYJNRVFQCEKNB-ZDUSSCGKSA-N 0 1 260.406 3.919 20 0 CHADMN O=C(Nc1cccc(F)c1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000043781213 175105510 /nfs/dbraw/zinc/10/55/10/175105510.db2.gz LQYBJOHKOWQXBL-UHFFFAOYSA-N 0 1 299.280 3.607 20 0 CHADMN C[C@@H](Cc1ccsc1)N1CC(C)(CC(F)(F)F)C1 ZINC000575147105 335072655 /nfs/dbraw/zinc/07/26/55/335072655.db2.gz QZDQJKCPKUXPFA-JTQLQIEISA-N 0 1 277.355 3.953 20 0 CHADMN C[C@H](N(C)Cc1cc(O)ccc1Br)C1(C)CC1 ZINC000355082236 227380041 /nfs/dbraw/zinc/38/00/41/227380041.db2.gz QIBDTGDJPPKLJT-JTQLQIEISA-N 0 1 298.224 3.775 20 0 CHADMN COCc1nc(CN[C@H](C)CCC(C)(C)C)cs1 ZINC000344458497 225064222 /nfs/dbraw/zinc/06/42/22/225064222.db2.gz KBOCVZKIIXFRND-LLVKDONJSA-N 0 1 270.442 3.594 20 0 CHADMN C[C@H]1OCC[C@@]1(C)NCc1csc(-c2ccsc2)n1 ZINC000344376241 225054233 /nfs/dbraw/zinc/05/42/33/225054233.db2.gz QKHHPTURNLQVJV-QMTHXVAHSA-N 0 1 294.445 3.529 20 0 CHADMN Cc1ccc2nc(NC(=O)c3ccoc3C(C)C)[nH]c2c1 ZINC000344474863 225070175 /nfs/dbraw/zinc/07/01/75/225070175.db2.gz KDBRSOAKBRSGQK-UHFFFAOYSA-N 0 1 283.331 3.840 20 0 CHADMN CCc1oc(C(=O)Nc2nc3ccc(C)cc3[nH]2)cc1C ZINC000344483681 225072469 /nfs/dbraw/zinc/07/24/69/225072469.db2.gz MHXPPEGDZFJDKW-UHFFFAOYSA-N 0 1 283.331 3.587 20 0 CHADMN Cc1c(C(=O)Nc2nc3ccc(C)cc3[nH]2)ccn1C(C)C ZINC000344491498 225083953 /nfs/dbraw/zinc/08/39/53/225083953.db2.gz YPIXJCWHXYKROV-UHFFFAOYSA-N 0 1 296.374 3.814 20 0 CHADMN Cc1nnc(CN2C[C@@H](c3ccccc3)C3(CCC3)C2)s1 ZINC000334637598 225184189 /nfs/dbraw/zinc/18/41/89/225184189.db2.gz IMDXLANWNBOJBX-HNNXBMFYSA-N 0 1 299.443 3.616 20 0 CHADMN Cc1nnc(CN2CC[C@@H](c3ccccc3)C2(C)C)s1 ZINC000334666400 225270038 /nfs/dbraw/zinc/27/00/38/225270038.db2.gz LIQHQXOJZVFBLS-AWEZNQCLSA-N 0 1 287.432 3.615 20 0 CHADMN Cc1ncccc1CN[C@H]1CCCc2c(F)cc(F)cc21 ZINC000334761634 225312524 /nfs/dbraw/zinc/31/25/24/225312524.db2.gz BBGXJCSCMYKYGV-KRWDZBQOSA-N 0 1 288.341 3.835 20 0 CHADMN c1coc(CN2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000334827759 225324189 /nfs/dbraw/zinc/32/41/89/225324189.db2.gz VPDUKSCSEXCLKJ-QGZVFWFLSA-N 0 1 283.371 3.633 20 0 CHADMN Cc1ccccc1[C@H](C(C)C)N(C)Cc1n[nH]c(C2CC2)n1 ZINC000347492012 226168261 /nfs/dbraw/zinc/16/82/61/226168261.db2.gz WUIIJZYBNADIEC-KRWDZBQOSA-N 0 1 298.434 3.820 20 0 CHADMN Cc1cc(C(=O)CN2CCC[C@@H]2c2ccccc2C)c(C)[nH]1 ZINC000347994550 226399582 /nfs/dbraw/zinc/39/95/82/226399582.db2.gz OKDKAJBXTOVKFR-GOSISDBHSA-N 0 1 296.414 3.960 20 0 CHADMN CCCN(Cc1nc2cc(Cl)ccc2n1C)C1CC1 ZINC000171678467 335074074 /nfs/dbraw/zinc/07/40/74/335074074.db2.gz OSLHMBKCCQKGRX-UHFFFAOYSA-N 0 1 277.799 3.601 20 0 CHADMN O=C(Nc1ccc2ccoc2c1)c1cc(-c2ccoc2)n[nH]1 ZINC000575177979 335076137 /nfs/dbraw/zinc/07/61/37/335076137.db2.gz KJKGBNTXTJVKDF-UHFFFAOYSA-N 0 1 293.282 3.668 20 0 CHADMN Cc1cc(-c2nnc(CN3CCCCC[C@H]3C)o2)c(C)o1 ZINC000336495706 227063044 /nfs/dbraw/zinc/06/30/44/227063044.db2.gz IGPCRULHUMGZBS-LLVKDONJSA-N 0 1 289.379 3.711 20 0 CHADMN C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000350359538 227000090 /nfs/dbraw/zinc/00/00/90/227000090.db2.gz SMTCOINTKIKIOR-AWEZNQCLSA-N 0 1 277.371 3.823 20 0 CHADMN FC1(c2nc(-c3ccn4cncc4c3)no2)CCCCC1 ZINC000350470420 227020494 /nfs/dbraw/zinc/02/04/94/227020494.db2.gz HKOVJWJINQYXSA-UHFFFAOYSA-N 0 1 286.310 3.513 20 0 CHADMN Cc1ncc(C[N@H+]2CC[C@@H](CC3CC3)C2)n1-c1ccccc1 ZINC000354530807 227024667 /nfs/dbraw/zinc/02/46/67/227024667.db2.gz WGQHYMMYEZDWJL-KRWDZBQOSA-N 0 1 295.430 3.803 20 0 CHADMN Fc1ccccc1CN1CCC=C(c2ccco2)C1 ZINC000352543815 227050291 /nfs/dbraw/zinc/05/02/91/227050291.db2.gz KCZBUCRZWDXEBZ-UHFFFAOYSA-N 0 1 257.308 3.708 20 0 CHADMN COCc1ccccc1/C=C(/C)CN(C)Cc1ccoc1 ZINC000350661263 227051092 /nfs/dbraw/zinc/05/10/92/227051092.db2.gz OXFMFRCVHFDHEZ-GDNBJRDFSA-N 0 1 285.387 3.961 20 0 CHADMN COc1cc2c(cc1Cl)CN(CC1(SC)CC1)CC2 ZINC000354637074 227054356 /nfs/dbraw/zinc/05/43/56/227054356.db2.gz SBEIPEAJDNKSBH-UHFFFAOYSA-N 0 1 297.851 3.602 20 0 CHADMN Cc1nccc(C[N@H+](Cc2ccccc2)CC2CCC2)n1 ZINC000350700923 227056688 /nfs/dbraw/zinc/05/66/88/227056688.db2.gz OTZMLJWJDIIZIV-UHFFFAOYSA-N 0 1 281.403 3.587 20 0 CHADMN c1cc2cc(CN3CCOC[C@@H]3CC3CCC3)ccc2o1 ZINC000354727553 227083542 /nfs/dbraw/zinc/08/35/42/227083542.db2.gz GCDRQFDFRSTVLW-KRWDZBQOSA-N 0 1 285.387 3.824 20 0 CHADMN CSCc1cnc(CN(C)CC2CCCC2)s1 ZINC000350829959 227111316 /nfs/dbraw/zinc/11/13/16/227111316.db2.gz KIPLSVGOTZJQRP-UHFFFAOYSA-N 0 1 270.467 3.628 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cc[nH]c1C1CCC1 ZINC000336568370 227123521 /nfs/dbraw/zinc/12/35/21/227123521.db2.gz HVUUHHHTSRXIAR-UHFFFAOYSA-N 0 1 290.750 3.894 20 0 CHADMN CO[C@H]1CCCN([C@H](C)c2ccc(Br)cc2)C1 ZINC000171823636 335081327 /nfs/dbraw/zinc/08/13/27/335081327.db2.gz WUBKHZRGLYPWOU-RISCZKNCSA-N 0 1 298.224 3.621 20 0 CHADMN C[C@H](N[C@@H]1COC(C)(C)C1)c1nc(C(C)(C)C)cs1 ZINC000417919907 227172888 /nfs/dbraw/zinc/17/28/88/227172888.db2.gz YNQGYUWIMLKLHK-QWRGUYRKSA-N 0 1 282.453 3.659 20 0 CHADMN Cc1nccc(N2CCC[C@H](c3nccs3)C2)c1Cl ZINC000352731299 227193746 /nfs/dbraw/zinc/19/37/46/227193746.db2.gz MCJOQAQKOPCVPX-NSHDSACASA-N 0 1 293.823 3.884 20 0 CHADMN Cc1cc(CN2C[C@@H](C)CC[C@@H]2c2ccccc2)no1 ZINC000352794915 227230539 /nfs/dbraw/zinc/23/05/39/227230539.db2.gz SGLQCVLZCZEFCH-SUMWQHHRSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN[C@@H]1CSC[C@H]1C ZINC000352799881 227236438 /nfs/dbraw/zinc/23/64/38/227236438.db2.gz NFZZACGEJPPAEP-NOZJJQNGSA-N 0 1 294.445 3.553 20 0 CHADMN C[C@@H]1CCCN(Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000352800881 227239028 /nfs/dbraw/zinc/23/90/28/227239028.db2.gz QQBNPRGXZSNQPF-GFCCVEGCSA-N 0 1 291.826 3.849 20 0 CHADMN C[C@@H]1CSC[C@@H]1NCc1csc(-c2cccs2)n1 ZINC000352814247 227250848 /nfs/dbraw/zinc/25/08/48/227250848.db2.gz GWDVCFRGVGTHNX-KOLCDFICSA-N 0 1 296.486 3.713 20 0 CHADMN c1ccc2oc([C@@H]3CCCCN3C[C@@H]3CCCO3)nc2c1 ZINC000335917333 228017826 /nfs/dbraw/zinc/01/78/26/228017826.db2.gz YICHJDWSQIPPKM-ZFWWWQNUSA-N 0 1 286.375 3.534 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](C)N[C@H](C)c1ccc(=O)[nH]n1 ZINC000353403882 228096783 /nfs/dbraw/zinc/09/67/83/228096783.db2.gz MYEJNVQXGOSOPQ-VXGBXAGGSA-N 0 1 297.358 3.649 20 0 CHADMN Cc1ccncc1CN(Cc1cccc(F)c1)C(C)C ZINC000353448714 228103971 /nfs/dbraw/zinc/10/39/71/228103971.db2.gz LUCFFHQBEHTZFO-UHFFFAOYSA-N 0 1 272.367 3.940 20 0 CHADMN Cc1ccncc1CN(C)[C@@H](C)c1cccc(F)c1 ZINC000353450966 228104720 /nfs/dbraw/zinc/10/47/20/228104720.db2.gz VZNWHBBQQJYCOX-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN Cc1ccc([C@H]2CCCC[N@H+]2Cc2cnc(C)cn2)cc1 ZINC000353462949 228106368 /nfs/dbraw/zinc/10/63/68/228106368.db2.gz KZLUBXSVKQOZPE-GOSISDBHSA-N 0 1 281.403 3.821 20 0 CHADMN Cc1ccc([C@H]2CCCCN2Cc2cnc(C)cn2)cc1 ZINC000353462949 228106371 /nfs/dbraw/zinc/10/63/71/228106371.db2.gz KZLUBXSVKQOZPE-GOSISDBHSA-N 0 1 281.403 3.821 20 0 CHADMN Cc1ccc(F)c(CN(CCO)[C@H]2CCc3ccccc32)c1 ZINC000353492986 228110446 /nfs/dbraw/zinc/11/04/46/228110446.db2.gz QSTCGRMBTNNHSW-IBGZPJMESA-N 0 1 299.389 3.616 20 0 CHADMN Cc1ccc(F)c(CN(CCO)[C@@H]2CCc3ccccc32)c1 ZINC000353492988 228110685 /nfs/dbraw/zinc/11/06/85/228110685.db2.gz QSTCGRMBTNNHSW-LJQANCHMSA-N 0 1 299.389 3.616 20 0 CHADMN CO[C@H](CNCc1csc(C(C)(C)C)n1)CC(C)C ZINC000418105562 228053822 /nfs/dbraw/zinc/05/38/22/228053822.db2.gz WGRWNVSREZVRHX-ZDUSSCGKSA-N 0 1 284.469 3.591 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(Cl)s2)cc1O ZINC000353245492 228074403 /nfs/dbraw/zinc/07/44/03/228074403.db2.gz XOUKZLMZHZSKLB-VIFPVBQESA-N 0 1 297.807 3.967 20 0 CHADMN CCc1nocc1CNc1ccc(CN(C)C)c(Cl)c1 ZINC000353268099 228076589 /nfs/dbraw/zinc/07/65/89/228076589.db2.gz QKQXZYUHKJWHPQ-UHFFFAOYSA-N 0 1 293.798 3.564 20 0 CHADMN Cc1nocc1CN(C)[C@H](c1ccc(F)cc1)C(C)C ZINC000353316738 228085077 /nfs/dbraw/zinc/08/50/77/228085077.db2.gz RSRAMILMHOMDCL-INIZCTEOSA-N 0 1 276.355 3.951 20 0 CHADMN Cc1n[nH]cc1CN[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000353593808 228128146 /nfs/dbraw/zinc/12/81/46/228128146.db2.gz DYYXMOZUUSVLDV-LBPRGKRZSA-N 0 1 269.348 3.624 20 0 CHADMN C[C@H]1CCCN1Cc1cc(F)ccc1Br ZINC000353607603 228129540 /nfs/dbraw/zinc/12/95/40/228129540.db2.gz ANFCXLNSJLPBSX-VIFPVBQESA-N 0 1 272.161 3.573 20 0 CHADMN COc1ccncc1CNCc1ccc(CC(C)C)cc1 ZINC000353610923 228130219 /nfs/dbraw/zinc/13/02/19/228130219.db2.gz XGELUXQNPDLDRQ-UHFFFAOYSA-N 0 1 284.403 3.579 20 0 CHADMN Cc1ccc([C@H]2[C@H](C)CCCN2Cc2nccn2C)cc1 ZINC000353823901 228156348 /nfs/dbraw/zinc/15/63/48/228156348.db2.gz MPSMBXMIAUNZBG-CRAIPNDOSA-N 0 1 283.419 3.702 20 0 CHADMN Cc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000352005112 228173906 /nfs/dbraw/zinc/17/39/06/228173906.db2.gz XXOHMZWJPLFTBK-OAHLLOKOSA-N 0 1 285.362 3.829 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN1CCC(F)(F)[C@@H](C)C1 ZINC000336012205 228177776 /nfs/dbraw/zinc/17/77/76/228177776.db2.gz ZQIQARRAVOHZST-NSHDSACASA-N 0 1 299.409 3.732 20 0 CHADMN Cc1nccc(N(C)[C@@H](C)c2ccccn2)c1Cl ZINC000352067628 228178429 /nfs/dbraw/zinc/17/84/29/228178429.db2.gz DQISYSFOXZUYID-NSHDSACASA-N 0 1 261.756 3.636 20 0 CHADMN C[C@@H](Nc1cc2c(cn1)CCCC2)c1ccccn1 ZINC000336031846 228179877 /nfs/dbraw/zinc/17/98/77/228179877.db2.gz KZHQGHUZCJOSNR-GFCCVEGCSA-N 0 1 253.349 3.529 20 0 CHADMN Cc1nccc(N2CCc3sccc3C2)c1Cl ZINC000352085383 228181130 /nfs/dbraw/zinc/18/11/30/228181130.db2.gz ZXAKLOYQLXBJAK-UHFFFAOYSA-N 0 1 264.781 3.668 20 0 CHADMN Cn1c2ccccc2nc1CN1CCC(C)(C2CC2)CC1 ZINC000352177133 228191830 /nfs/dbraw/zinc/19/18/30/228191830.db2.gz YQEZIFQCDZFHFG-UHFFFAOYSA-N 0 1 283.419 3.585 20 0 CHADMN Cc1ccnc(CN2CCC[C@@](C)(c3ccccc3)CC2)n1 ZINC000352209809 228199690 /nfs/dbraw/zinc/19/96/90/228199690.db2.gz CYBDHZWBFNLGAV-LJQANCHMSA-N 0 1 295.430 3.729 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000330620149 228212734 /nfs/dbraw/zinc/21/27/34/228212734.db2.gz JCYJFEGIKDRSLR-WCBMZHEXSA-N 0 1 285.338 3.811 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCc3c(F)cc(F)cc32)nc1 ZINC000336213179 228214928 /nfs/dbraw/zinc/21/49/28/228214928.db2.gz JYOIOQCDCIKNGQ-QGZVFWFLSA-N 0 1 288.341 3.835 20 0 CHADMN Fc1ccc([C@@H]2CN(C[C@H]3CC=CCC3)CCO2)cc1 ZINC000179425976 260047901 /nfs/dbraw/zinc/04/79/01/260047901.db2.gz GCIDKMFCCZRXQG-YOEHRIQHSA-N 0 1 275.367 3.555 20 0 CHADMN CN(Cc1cnc(-c2ccccc2)[nH]1)Cc1ccccc1F ZINC000179607184 260057834 /nfs/dbraw/zinc/05/78/34/260057834.db2.gz NANGVFIWZKJXES-UHFFFAOYSA-N 0 1 295.361 3.848 20 0 CHADMN COc1ccc(CN(C)Cc2ccsc2)cc1C ZINC000179732625 260065023 /nfs/dbraw/zinc/06/50/23/260065023.db2.gz SUPRONBVBXHDJX-UHFFFAOYSA-N 0 1 261.390 3.697 20 0 CHADMN Cc1c([C@H](C)N[C@H](C)c2ccc(F)c(Cl)c2)cnn1C ZINC000037167406 260072258 /nfs/dbraw/zinc/07/22/58/260072258.db2.gz WOFZYYPPQDJFSG-ZJUUUORDSA-N 0 1 295.789 3.933 20 0 CHADMN CCOc1ncccc1CN[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000180080436 260092186 /nfs/dbraw/zinc/09/21/86/260092186.db2.gz MGHPHWAGWJQXNR-KSSFIOAISA-N 0 1 296.414 3.812 20 0 CHADMN CCN(CC)CC(=O)Nc1ccccc1Nc1ccccc1 ZINC000180802354 260112155 /nfs/dbraw/zinc/11/21/55/260112155.db2.gz GHULUWMMIFHOME-UHFFFAOYSA-N 0 1 297.402 3.711 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccccc2F)cc1F ZINC000037496148 260112962 /nfs/dbraw/zinc/11/29/62/260112962.db2.gz LTNIVOQNRFZELC-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](Cc2ccsc2C(=O)[O-])C1 ZINC000517750639 260114758 /nfs/dbraw/zinc/11/47/58/260114758.db2.gz QOQOFEDISNDGMM-HNNXBMFYSA-N 0 1 281.421 3.849 20 0 CHADMN CC[C@H](C)[N@@H+](CCC12CC3CC(CC(C3)C1)C2)CC(=O)[O-] ZINC000037598919 260114892 /nfs/dbraw/zinc/11/48/92/260114892.db2.gz JZRBLZPWHJNRFF-IILDEKEXSA-N 0 1 293.451 3.778 20 0 CHADMN CCC[N@@H+](Cc1cc(C(C)=O)ccc1OCC)C1CC1 ZINC000037641747 260115158 /nfs/dbraw/zinc/11/51/58/260115158.db2.gz SDIYTKBLVINKGQ-UHFFFAOYSA-N 0 1 275.392 3.662 20 0 CHADMN CCCN(Cc1cc(C(C)=O)ccc1OCC)C1CC1 ZINC000037641747 260115160 /nfs/dbraw/zinc/11/51/60/260115160.db2.gz SDIYTKBLVINKGQ-UHFFFAOYSA-N 0 1 275.392 3.662 20 0 CHADMN CCCn1ncnc1CN1CCC[C@@H]1CCC1CCCC1 ZINC000447856085 260145577 /nfs/dbraw/zinc/14/55/77/260145577.db2.gz XQNSAFKHMJQKOP-MRXNPFEDSA-N 0 1 290.455 3.623 20 0 CHADMN CCCn1ncnc1C[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000447856085 260145575 /nfs/dbraw/zinc/14/55/75/260145575.db2.gz XQNSAFKHMJQKOP-MRXNPFEDSA-N 0 1 290.455 3.623 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCC[C@@H](C)CC1 ZINC000070158207 260152887 /nfs/dbraw/zinc/15/28/87/260152887.db2.gz BCZZVMXLWXZKGG-CQSZACIVSA-N 0 1 289.419 3.910 20 0 CHADMN Cc1cccc(OCCNCc2ccsc2Cl)c1 ZINC000312619090 260183792 /nfs/dbraw/zinc/18/37/92/260183792.db2.gz SZBNNKFZXWIWJS-UHFFFAOYSA-N 0 1 281.808 3.879 20 0 CHADMN Clc1sccc1CNCCOCc1ccccc1 ZINC000312619252 260184077 /nfs/dbraw/zinc/18/40/77/260184077.db2.gz HVVSPDYRVNSVAB-UHFFFAOYSA-N 0 1 281.808 3.708 20 0 CHADMN Clc1cc(CNCCc2cscn2)c(Cl)s1 ZINC000312624951 260185256 /nfs/dbraw/zinc/18/52/56/260185256.db2.gz NVEXMGWZQZHXQN-UHFFFAOYSA-N 0 1 293.244 3.844 20 0 CHADMN CO[C@H]([C@H](C)NCc1cc(Cl)sc1Cl)C1CC1 ZINC000312629739 260185594 /nfs/dbraw/zinc/18/55/94/260185594.db2.gz RQYPYUJKVZWFMM-WRWORJQWSA-N 0 1 294.247 3.958 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(Cl)s1 ZINC000044496910 260190275 /nfs/dbraw/zinc/19/02/75/260190275.db2.gz ITDQFAZWTKITFJ-DTWKUNHWSA-N 0 1 269.801 3.547 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cc3c(s2)CCCC3)c2nccn21 ZINC000517510018 260190374 /nfs/dbraw/zinc/19/03/74/260190374.db2.gz XGZOLWGRYKJLPQ-BXUZGUMPSA-N 0 1 287.432 3.619 20 0 CHADMN Cc1cc(C)c(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c(C)c1 ZINC000525487979 260199719 /nfs/dbraw/zinc/19/97/19/260199719.db2.gz WGWBBRUKMHKDFU-GOSISDBHSA-N 0 1 297.442 3.995 20 0 CHADMN C[C@@H]1CC[C@@H](CNCc2cc(Cl)sc2Cl)O1 ZINC000312769806 260199967 /nfs/dbraw/zinc/19/99/67/260199967.db2.gz QCDHWTQEFCUMEL-APPZFPTMSA-N 0 1 280.220 3.712 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCOC[C@H]1CCCO1 ZINC000525488359 260200364 /nfs/dbraw/zinc/20/03/64/260200364.db2.gz NDRVLLSUDBZQCZ-XJKSGUPXSA-N 0 1 297.826 3.528 20 0 CHADMN CC1(C)COC[C@@H]1NCc1cccc(Cl)c1Cl ZINC000313057289 260241819 /nfs/dbraw/zinc/24/18/19/260241819.db2.gz CCPBDGXGYYUXFA-NSHDSACASA-N 0 1 274.191 3.508 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1ccc2c(c1)CCC2 ZINC000092329538 260269182 /nfs/dbraw/zinc/26/91/82/260269182.db2.gz YUGQMKVRCWAYRK-LLVKDONJSA-N 0 1 270.376 3.631 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@H](C)c1ccccn1)CCC2 ZINC000092383393 260269456 /nfs/dbraw/zinc/26/94/56/260269456.db2.gz ZRPHIDHDMRDVBY-FZKQIMNGSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1ccc(CN[C@H]2CCSc3ccccc32)nc1 ZINC000126949997 260360371 /nfs/dbraw/zinc/36/03/71/260360371.db2.gz YIUCNEUJRXZYQL-HNNXBMFYSA-N 0 1 270.401 3.717 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1cnccc1C ZINC000128478721 260374937 /nfs/dbraw/zinc/37/49/37/260374937.db2.gz BZGPQPLOFJLYPM-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN C[C@@H](NCc1ccccc1-n1cccn1)c1ccccc1F ZINC000128909860 260379590 /nfs/dbraw/zinc/37/95/90/260379590.db2.gz ZXECFJZTXYIOCI-CQSZACIVSA-N 0 1 295.361 3.862 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cncs2)cc1OC ZINC000129626732 260389714 /nfs/dbraw/zinc/38/97/14/260389714.db2.gz MDESNRUUUCFULX-WDEREUQCSA-N 0 1 292.404 3.572 20 0 CHADMN Cc1nccc(NCC2CCC(F)(F)CC2)c1Cl ZINC000409673979 260423598 /nfs/dbraw/zinc/42/35/98/260423598.db2.gz YFIGIZMIZFYXPE-UHFFFAOYSA-N 0 1 274.742 3.703 20 0 CHADMN CC(C)n1ncc2cc(CN(C)C3CCC3)c(Cl)nc21 ZINC000093475702 260519466 /nfs/dbraw/zinc/51/94/66/260519466.db2.gz GPXVZGVOFKZDLH-UHFFFAOYSA-N 0 1 292.814 3.650 20 0 CHADMN COc1ccc(Cl)cc1CN1CCC(CF)CC1 ZINC000449461602 260608724 /nfs/dbraw/zinc/60/87/24/260608724.db2.gz TZOYHTMPYXMUKG-UHFFFAOYSA-N 0 1 271.763 3.530 20 0 CHADMN CCOc1cc(CN[C@@H](C)c2cc(C)oc2C)ccc1O ZINC000044729288 260648017 /nfs/dbraw/zinc/64/80/17/260648017.db2.gz FOCZVCJDJMBZGZ-LBPRGKRZSA-N 0 1 289.375 3.852 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H](C)c2ccc(Cl)cc2)cn1 ZINC000427825196 260848218 /nfs/dbraw/zinc/84/82/18/260848218.db2.gz KIMMTIDJKVAJKN-VXGBXAGGSA-N 0 1 275.783 3.850 20 0 CHADMN C[C@H](NC1(C(=O)Nc2ccccc2)CC1)c1ccsc1 ZINC000427969480 260894002 /nfs/dbraw/zinc/89/40/02/260894002.db2.gz XDFOYHJXWFFMPR-LBPRGKRZSA-N 0 1 286.400 3.570 20 0 CHADMN Cc1ccc([C@H](C)NC2(C(=O)Nc3ccccc3)CC2)cc1 ZINC000427968419 260894191 /nfs/dbraw/zinc/89/41/91/260894191.db2.gz FTLZIAQVFJWRAQ-HNNXBMFYSA-N 0 1 294.398 3.817 20 0 CHADMN COc1cccc([C@H](C)N[C@H](C)c2ccc(F)cn2)c1 ZINC000147766818 260895149 /nfs/dbraw/zinc/89/51/49/260895149.db2.gz HZNJYXYXPRMCRT-NWDGAFQWSA-N 0 1 274.339 3.641 20 0 CHADMN CC[C@H](N[C@H](C)c1cnn(CC)c1)c1ccc(F)cc1F ZINC000151823373 261055829 /nfs/dbraw/zinc/05/58/29/261055829.db2.gz YEDPNAHAWNMQTB-BZNIZROVSA-N 0 1 293.361 3.983 20 0 CHADMN C[C@@H](NCc1ccnn1C)c1cc(Cl)cc(Cl)c1 ZINC000152210091 261061855 /nfs/dbraw/zinc/06/18/55/261061855.db2.gz CWDQLNGBOIIGOF-SECBINFHSA-N 0 1 284.190 3.578 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@@H]2CCCc3occc32)cn1 ZINC000152277550 261062821 /nfs/dbraw/zinc/06/28/21/261062821.db2.gz JFLWOOZVUMCYMN-IUODEOHRSA-N 0 1 273.380 3.785 20 0 CHADMN CCc1nc2c(s1)[C@H](N[C@H](C)c1ccccn1)CCC2 ZINC000152370344 261063535 /nfs/dbraw/zinc/06/35/35/261063535.db2.gz YVTBBVACBJDJAK-DGCLKSJQSA-N 0 1 287.432 3.829 20 0 CHADMN COc1ncccc1CN[C@H]1C[C@@H](C)c2c1cccc2C ZINC000152838195 261070013 /nfs/dbraw/zinc/07/00/13/261070013.db2.gz HNLXLWANOHIQOA-CJNGLKHVSA-N 0 1 282.387 3.737 20 0 CHADMN COc1ccc(CNC2(c3cccc(F)c3)CC2)cc1 ZINC000152874881 261070745 /nfs/dbraw/zinc/07/07/45/261070745.db2.gz GJWJFVLGMUESML-UHFFFAOYSA-N 0 1 271.335 3.613 20 0 CHADMN Cc1[nH]ncc1CNc1ccc(COC2CCCC2)cc1 ZINC000153053560 261073024 /nfs/dbraw/zinc/07/30/24/261073024.db2.gz WXVNRJZTEJLCGG-UHFFFAOYSA-N 0 1 285.391 3.789 20 0 CHADMN CCC[C@@H](NCc1c(C)noc1C)c1ccc(OC)cc1 ZINC000153915110 261085057 /nfs/dbraw/zinc/08/50/57/261085057.db2.gz VSNIWUDGTVSCSS-QGZVFWFLSA-N 0 1 288.391 3.931 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncs1)c1ccc(-n2cccn2)cc1 ZINC000154052143 261087456 /nfs/dbraw/zinc/08/74/56/261087456.db2.gz TZSBUYRCNIIURV-OLZOCXBDSA-N 0 1 298.415 3.741 20 0 CHADMN Cc1cscc1NS(=O)(=O)c1cccc(C(C)C)c1 ZINC000161587729 261097278 /nfs/dbraw/zinc/09/72/78/261097278.db2.gz LESABDBXHWXGPQ-UHFFFAOYSA-N 0 1 295.429 3.981 20 0 CHADMN COc1cc(C)nc(CN(C)Cc2cc(C)cc(C)c2)c1 ZINC000444708357 261111468 /nfs/dbraw/zinc/11/14/68/261111468.db2.gz QHANXUCMUDZASE-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN CC(C)[C@H]1CCN(Cc2ncc(C(C)(C)C)s2)C1 ZINC000448337700 261118069 /nfs/dbraw/zinc/11/80/69/261118069.db2.gz SOONHXDVSSJSBN-LBPRGKRZSA-N 0 1 266.454 3.919 20 0 CHADMN COC[C@H](N[C@@H](C)c1sccc1C)c1ccc(C)o1 ZINC000156435153 261123010 /nfs/dbraw/zinc/12/30/10/261123010.db2.gz ZCDNKCNUNRYCHW-STQMWFEESA-N 0 1 279.405 3.996 20 0 CHADMN CCCCN(CC)Cc1ccn(C(CC)CC)n1 ZINC000448382762 261136201 /nfs/dbraw/zinc/13/62/01/261136201.db2.gz ODXQUYIIMSPWQJ-UHFFFAOYSA-N 0 1 251.418 3.866 20 0 CHADMN CC[C@H](C)C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000158280750 261162270 /nfs/dbraw/zinc/16/22/70/261162270.db2.gz GNRFXTQXTLLAIP-ZDUSSCGKSA-N 0 1 274.408 3.643 20 0 CHADMN CCCOCc1ccccc1CN[C@H](C)c1ccccn1 ZINC000158690653 261169795 /nfs/dbraw/zinc/16/97/95/261169795.db2.gz MQGXPOPZYRYMHC-OAHLLOKOSA-N 0 1 284.403 3.859 20 0 CHADMN Cc1ccc(-c2nc(CN3CC[C@@H](C)[C@@H]3C)cs2)o1 ZINC000361341093 261209965 /nfs/dbraw/zinc/20/99/65/261209965.db2.gz MBNWDVXYHVHUMR-PWSUYJOCSA-N 0 1 276.405 3.942 20 0 CHADMN CC(C)CCc1noc(CN(C)[C@H]2CCC(C)(C)C2)n1 ZINC000361468646 261282312 /nfs/dbraw/zinc/28/23/12/261282312.db2.gz IDBHEROEOAYBLV-ZDUSSCGKSA-N 0 1 279.428 3.669 20 0 CHADMN Cc1cc(C)c(NC(=O)[C@H](C)N2CCC(C)CC2)c(C)c1 ZINC000007389354 261297198 /nfs/dbraw/zinc/29/71/98/261297198.db2.gz VRTZPAKQVNBIGZ-INIZCTEOSA-N 0 1 288.435 3.671 20 0 CHADMN Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC(C)CC2)c(C)c1 ZINC000007389353 261297270 /nfs/dbraw/zinc/29/72/70/261297270.db2.gz VRTZPAKQVNBIGZ-MRXNPFEDSA-N 0 1 288.435 3.671 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1nc(C)c(C)o1)C1CC1 ZINC000104966900 261304000 /nfs/dbraw/zinc/30/40/00/261304000.db2.gz WLRHXLPLAHMHHH-PWSUYJOCSA-N 0 1 250.386 3.690 20 0 CHADMN CCN(Cc1ccccn1)[C@@H](C)c1ccc(F)cc1 ZINC000104948536 261305550 /nfs/dbraw/zinc/30/55/50/261305550.db2.gz CSAHQQDTUXGOPG-ZDUSSCGKSA-N 0 1 258.340 3.804 20 0 CHADMN CC[C@@H](NCc1cccc(N(C)C)n1)c1ccc(F)cc1 ZINC000163131437 261306460 /nfs/dbraw/zinc/30/64/60/261306460.db2.gz NRLWZHKUFRQISI-MRXNPFEDSA-N 0 1 287.382 3.528 20 0 CHADMN CSC[C@H]1CCCN1Cc1ccsc1Cl ZINC000361565659 261339999 /nfs/dbraw/zinc/33/99/99/261339999.db2.gz NPKKCONGNJCKKN-SNVBAGLBSA-N 0 1 261.843 3.729 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN(C)[C@@H](C)C1(C)CC1 ZINC000177245532 261341911 /nfs/dbraw/zinc/34/19/11/261341911.db2.gz ZXAVZEUEXWJDNI-LBPRGKRZSA-N 0 1 294.826 3.707 20 0 CHADMN CC[C@H](NCc1cn2ccccc2n1)c1ccc(C)cc1 ZINC000105861807 261362269 /nfs/dbraw/zinc/36/22/69/261362269.db2.gz GJDUTTANBVQWLD-KRWDZBQOSA-N 0 1 279.387 3.884 20 0 CHADMN C[C@H](NCc1ccc(Cl)s1)c1cncc(F)c1 ZINC000177862212 261371174 /nfs/dbraw/zinc/37/11/74/261371174.db2.gz PVWZOQBPUMKBLO-QMMMGPOBSA-N 0 1 270.760 3.786 20 0 CHADMN CCc1ccc(CNCc2cc(F)ccc2OC)cc1 ZINC000178451950 261392073 /nfs/dbraw/zinc/39/20/73/261392073.db2.gz OTQKIFYTRMFQAN-UHFFFAOYSA-N 0 1 273.351 3.687 20 0 CHADMN COc1cc([C@@H](C)NCc2oc3ccccc3c2C)ccn1 ZINC000516669363 261712041 /nfs/dbraw/zinc/71/20/41/261712041.db2.gz VTCYZKGUKXCURX-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN CC[C@@H](NCc1ccc(Cl)cn1)c1ccccc1 ZINC000182121725 261924901 /nfs/dbraw/zinc/92/49/01/261924901.db2.gz DJCOHEZFYPXEJL-OAHLLOKOSA-N 0 1 260.768 3.976 20 0 CHADMN CC(C)c1cccc(NC(=O)c2cn[nH]c2C2CC2)c1 ZINC000184187585 262012118 /nfs/dbraw/zinc/01/21/18/262012118.db2.gz FQPSVVYUFVHAEM-UHFFFAOYSA-N 0 1 269.348 3.663 20 0 CHADMN Cc1cncc([C@@H](C)N[C@@H]2CCCc3occc32)c1 ZINC000184275725 262015127 /nfs/dbraw/zinc/01/51/27/262015127.db2.gz RFLWTNQLAFKZAQ-IUODEOHRSA-N 0 1 256.349 3.711 20 0 CHADMN CCCN(CCc1cccs1)Cc1nc(C)c(C)o1 ZINC000184515108 262022502 /nfs/dbraw/zinc/02/25/02/262022502.db2.gz MWHMLRRPBGBMMB-UHFFFAOYSA-N 0 1 278.421 3.808 20 0 CHADMN CCCC[C@@H]1CCC[C@@H]1NCc1csc(NC(C)=O)n1 ZINC000184702167 262026953 /nfs/dbraw/zinc/02/69/53/262026953.db2.gz JXAYQGPTMPPBOR-OCCSQVGLSA-N 0 1 295.452 3.550 20 0 CHADMN CCC[C@H](NCc1ccc(Cl)nc1)c1cccnc1 ZINC000185073911 262039890 /nfs/dbraw/zinc/03/98/90/262039890.db2.gz NXYLSSXJSSNOFK-AWEZNQCLSA-N 0 1 275.783 3.761 20 0 CHADMN COc1ccc(CNCc2ccc(Cl)cc2C)cc1O ZINC000185235360 262047884 /nfs/dbraw/zinc/04/78/84/262047884.db2.gz GANNMBCUFUSSLP-UHFFFAOYSA-N 0 1 291.778 3.652 20 0 CHADMN O=C([O-])[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000518783076 262055494 /nfs/dbraw/zinc/05/54/94/262055494.db2.gz YENVLSMTYCAFIO-HUUCEWRRSA-N 0 1 287.384 3.711 20 0 CHADMN CCSc1cccc(CN[C@@H]2c3ccccc3C[C@@H]2O)c1 ZINC000185488536 262055868 /nfs/dbraw/zinc/05/58/68/262055868.db2.gz SHMGJSMEHZDNGC-ZWKOTPCHSA-N 0 1 299.439 3.547 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H](C)c1cccnc1 ZINC000186083442 262078702 /nfs/dbraw/zinc/07/87/02/262078702.db2.gz FETUSNITHYEZLN-QWRGUYRKSA-N 0 1 262.378 3.564 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@H](C)c1cccnc1 ZINC000186083498 262079405 /nfs/dbraw/zinc/07/94/05/262079405.db2.gz FETUSNITHYEZLN-GHMZBOCLSA-N 0 1 262.378 3.564 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1ccc(Cl)nc1 ZINC000186116109 262079723 /nfs/dbraw/zinc/07/97/23/262079723.db2.gz JZHZJHMLFJEMSS-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2csc(C(C)C)n2)n[nH]1 ZINC000186423651 262092634 /nfs/dbraw/zinc/09/26/34/262092634.db2.gz WZQQEMULXOBAAE-JQWIXIFHSA-N 0 1 292.452 3.580 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](CCO)c2ccco2)c(C)c1 ZINC000186543989 262098484 /nfs/dbraw/zinc/09/84/84/262098484.db2.gz BDQPVJWFQWJXFM-ZBFHGGJFSA-N 0 1 273.376 3.671 20 0 CHADMN CC[C@@H]1C[C@]1(NCc1ccnn1CC)c1cccc(C)c1 ZINC000500501431 262154815 /nfs/dbraw/zinc/15/48/15/262154815.db2.gz UQXHUGAVSYHKGF-CRAIPNDOSA-N 0 1 283.419 3.626 20 0 CHADMN CC[C@@H]1C[C@@]1(NCc1cncc(F)c1)c1cccc(C)c1 ZINC000500531059 262156762 /nfs/dbraw/zinc/15/67/62/262156762.db2.gz JIHOTUIGUNQOSL-QAPCUYQASA-N 0 1 284.378 3.944 20 0 CHADMN Cc1ccoc1CN[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000314593182 262214684 /nfs/dbraw/zinc/21/46/84/262214684.db2.gz PABLPWJHVDGAEQ-AWEZNQCLSA-N 0 1 281.359 3.625 20 0 CHADMN Oc1ccc(CNCc2sccc2Cl)cc1F ZINC000193118588 262216382 /nfs/dbraw/zinc/21/63/82/262216382.db2.gz YDRYOJPPGZXKRX-UHFFFAOYSA-N 0 1 271.744 3.536 20 0 CHADMN CCc1nc(CN(C)CCC(C)(C)CC)cs1 ZINC000525783442 262232351 /nfs/dbraw/zinc/23/23/51/262232351.db2.gz ZAOHINSHDIJBMS-UHFFFAOYSA-N 0 1 254.443 3.964 20 0 CHADMN CCN1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000109791960 262255339 /nfs/dbraw/zinc/25/53/39/262255339.db2.gz UDNZTIYIUXSBSM-OAHLLOKOSA-N 0 1 273.355 3.763 20 0 CHADMN Oc1cc(F)cc(CN[C@H]2CCCc3sccc32)c1 ZINC000184142354 262271392 /nfs/dbraw/zinc/27/13/92/262271392.db2.gz UYTNNEOJLRTPJB-AWEZNQCLSA-N 0 1 277.364 3.760 20 0 CHADMN C[C@H](NCc1nc(CCc2ccccc2)no1)C1CCCC1 ZINC000184663585 262290785 /nfs/dbraw/zinc/29/07/85/262290785.db2.gz BWBMKVXSNKDSRD-AWEZNQCLSA-N 0 1 299.418 3.523 20 0 CHADMN CCC(C)(C)[C@H]1CCCN1C(=O)c1c(O)cccc1F ZINC000185464406 262305194 /nfs/dbraw/zinc/30/51/94/262305194.db2.gz IHHZGOBNTUJBQN-CYBMUJFWSA-N 0 1 279.355 3.572 20 0 CHADMN CC(C)C1(C)CCN(Cc2nc(-c3ccco3)no2)CC1 ZINC000186198323 262311643 /nfs/dbraw/zinc/31/16/43/262311643.db2.gz KDHCMFXBWVDMCB-UHFFFAOYSA-N 0 1 289.379 3.588 20 0 CHADMN Cc1nc(C)c([C@H](C)NCc2cc(F)cc(F)c2)s1 ZINC000221878973 262315402 /nfs/dbraw/zinc/31/54/02/262315402.db2.gz VXFORXQQIQIUPK-QMMMGPOBSA-N 0 1 282.359 3.889 20 0 CHADMN C[C@@H]1C[C@H]1CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000488529570 262332128 /nfs/dbraw/zinc/33/21/28/262332128.db2.gz IZHNVMSCIQXEHA-OSAQELSMSA-N 0 1 299.336 3.735 20 0 CHADMN COc1cccc([C@H](C)N[C@@H](C)c2ccncc2OC)c1 ZINC000187101475 262379666 /nfs/dbraw/zinc/37/96/66/262379666.db2.gz WFAJEJCPUXVFCS-STQMWFEESA-N 0 1 286.375 3.511 20 0 CHADMN Cc1cc(CN[C@H](C)c2cnc3ccsc3c2)ccn1 ZINC000391202156 262388731 /nfs/dbraw/zinc/38/87/31/262388731.db2.gz ROAIIZKPVUWVFC-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN CCN(C(=O)c1cc(-c2ccccc2)[nH]n1)C1CC(C)(C)C1 ZINC000412847431 262745507 /nfs/dbraw/zinc/74/55/07/262745507.db2.gz YKWRXQVCFLLTAP-UHFFFAOYSA-N 0 1 297.402 3.727 20 0 CHADMN CCC[C@H](N[C@@H](C)c1ccn(C)n1)c1ccccc1 ZINC000414070750 262800773 /nfs/dbraw/zinc/80/07/73/262800773.db2.gz SKNDUIYNRUQBKH-BBRMVZONSA-N 0 1 257.381 3.612 20 0 CHADMN COC(=O)c1cnc([C@@H](C)NCCCCC(C)(C)C)s1 ZINC000414078473 262802112 /nfs/dbraw/zinc/80/21/12/262802112.db2.gz RAWSPHNUOWRGQC-LLVKDONJSA-N 0 1 298.452 3.797 20 0 CHADMN CO[C@H](c1ccccc1)[C@H](C)N[C@@H](C)c1nccs1 ZINC000414226182 262828759 /nfs/dbraw/zinc/82/87/59/262828759.db2.gz TZBDEKZLDPHPPS-OBJOEFQTSA-N 0 1 276.405 3.570 20 0 CHADMN COc1cccc(Cl)c1CN[C@@H]1C[C@H]1c1ccco1 ZINC000414597743 263003702 /nfs/dbraw/zinc/00/37/02/263003702.db2.gz WXGTWUFRZZHWLQ-ZWNOBZJWSA-N 0 1 277.751 3.587 20 0 CHADMN CCCC(CCC)c1nc([C@H](N)CC(C)C)no1 ZINC000414621611 263014055 /nfs/dbraw/zinc/01/40/55/263014055.db2.gz RLCWFXLGNHYIAS-GFCCVEGCSA-N 0 1 253.390 3.799 20 0 CHADMN CC(C)[C@@H](C)N(C(=O)c1ccc(O)c(Cl)c1)C1CC1 ZINC000272574476 263007185 /nfs/dbraw/zinc/00/71/85/263007185.db2.gz DACDSPIECPCHCO-SNVBAGLBSA-N 0 1 281.783 3.695 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2ccc(Cl)c(F)c2)n1 ZINC000414610843 263009228 /nfs/dbraw/zinc/00/92/28/263009228.db2.gz BLQPLYXADKOTEL-NSHDSACASA-N 0 1 283.734 3.575 20 0 CHADMN Cc1cc(C)cc(CCc2nc([C@@H](N)CC(C)C)no2)c1 ZINC000414610495 263009289 /nfs/dbraw/zinc/00/92/89/263009289.db2.gz BHXGQWZGQNZVKT-HNNXBMFYSA-N 0 1 287.407 3.518 20 0 CHADMN CC[C@@H]1CCCC[C@H]1c1nc([C@@H](N)CC(C)C)no1 ZINC000414614680 263010149 /nfs/dbraw/zinc/01/01/49/263010149.db2.gz HJZNNCAMABVVNL-UPJWGTAASA-N 0 1 265.401 3.799 20 0 CHADMN Cc1ccc(-c2nc([C@@H](N)CC(C)C)no2)c(F)c1Cl ZINC000414615723 263010184 /nfs/dbraw/zinc/01/01/84/263010184.db2.gz IWAWKKSZKNAJEP-JTQLQIEISA-N 0 1 297.761 3.883 20 0 CHADMN Cc1ccc(-c2nc([C@H](N)CC(C)C)no2)c(F)c1Cl ZINC000414615724 263010188 /nfs/dbraw/zinc/01/01/88/263010188.db2.gz IWAWKKSZKNAJEP-SNVBAGLBSA-N 0 1 297.761 3.883 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2ccc(C(F)F)cc2)n1 ZINC000414616374 263010458 /nfs/dbraw/zinc/01/04/58/263010458.db2.gz JZHUZDNBIROBKR-LLVKDONJSA-N 0 1 281.306 3.720 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2ccc(C(C)(F)F)cc2)n1 ZINC000414618583 263012416 /nfs/dbraw/zinc/01/24/16/263012416.db2.gz JZDKSQQSOKLBQY-GFCCVEGCSA-N 0 1 295.333 3.894 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cccc(Cl)c2F)n1 ZINC000414620822 263014182 /nfs/dbraw/zinc/01/41/82/263014182.db2.gz LLJZCPRQAPJRNP-SNVBAGLBSA-N 0 1 283.734 3.575 20 0 CHADMN Cc1cc(C)cc(/C=C/c2nc([C@H](N)CC(C)C)no2)c1 ZINC000414624786 263014957 /nfs/dbraw/zinc/01/49/57/263014957.db2.gz VZGKWVVKRLFGPS-LLYBFZRZSA-N 0 1 285.391 3.903 20 0 CHADMN Cc1ccnc2ccc(-c3nc([C@H](N)CC(C)C)no3)cc12 ZINC000414623857 263015485 /nfs/dbraw/zinc/01/54/85/263015485.db2.gz UUSAILDTOVWQDA-CQSZACIVSA-N 0 1 296.374 3.639 20 0 CHADMN CCc1ccccc1[C@@H]1C[C@H]1c1nc(C2(N)CCCC2)no1 ZINC000414625951 263016307 /nfs/dbraw/zinc/01/63/07/263016307.db2.gz XPNRFJSHIGXMHM-LSDHHAIUSA-N 0 1 297.402 3.631 20 0 CHADMN CC(C)Cc1cccc([C@H](C)c2nc(C3(N)CCC3)no2)c1 ZINC000414629231 263016955 /nfs/dbraw/zinc/01/69/55/263016955.db2.gz QIUIGKOVMACHHS-ZDUSSCGKSA-N 0 1 299.418 3.758 20 0 CHADMN CC(C)[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CC(C)(C)C1 ZINC000414635687 263018519 /nfs/dbraw/zinc/01/85/19/263018519.db2.gz HWWMXEZXYSHNNM-UHFFFAOYSA-N 0 1 275.392 3.784 20 0 CHADMN Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000414644052 263019764 /nfs/dbraw/zinc/01/97/64/263019764.db2.gz YSDPNDCKCUKQKM-HNNXBMFYSA-N 0 1 297.398 3.756 20 0 CHADMN C[C@@H](NC[C@H](C)Oc1ccc(Cl)cc1)c1cscn1 ZINC000276999129 263038991 /nfs/dbraw/zinc/03/89/91/263038991.db2.gz AECGGVGTESJYMN-WDEREUQCSA-N 0 1 296.823 3.915 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2cc(C)ccc2F)n[nH]1 ZINC000277392977 263041084 /nfs/dbraw/zinc/04/10/84/263041084.db2.gz JSZWICLOULLDNZ-RYUDHWBXSA-N 0 1 290.386 3.617 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2cc(C)oc2C)n[nH]1 ZINC000278871378 263051512 /nfs/dbraw/zinc/05/15/12/263051512.db2.gz WZOHHJANERXWJM-DLOVCJGASA-N 0 1 290.411 3.940 20 0 CHADMN Cn1ccc(CN[C@@H]2CC(C)(C)CCc3ccccc32)n1 ZINC000280951607 263065412 /nfs/dbraw/zinc/06/54/12/263065412.db2.gz XNCDNPHTYIZWPX-QGZVFWFLSA-N 0 1 283.419 3.614 20 0 CHADMN c1ccc2ncc(CN3CCC[C@H]3c3ccncc3)cc2c1 ZINC000282075228 263074111 /nfs/dbraw/zinc/07/41/11/263074111.db2.gz TYOORXSQQUBACJ-IBGZPJMESA-N 0 1 289.382 3.967 20 0 CHADMN Cc1nc(C)c([C@@H](C)NCc2cc(C)cc(Cl)n2)s1 ZINC000282482912 263076999 /nfs/dbraw/zinc/07/69/99/263076999.db2.gz HDVILBQVPLOMBZ-SECBINFHSA-N 0 1 295.839 3.968 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2NCc1cnc2ccccc2c1 ZINC000340201013 263091876 /nfs/dbraw/zinc/09/18/76/263091876.db2.gz HOBVGMMMQLHRDL-KRWDZBQOSA-N 0 1 278.355 3.995 20 0 CHADMN CCC[C@H](CNCc1nnc(CC)s1)c1ccccc1 ZINC000289888159 263112656 /nfs/dbraw/zinc/11/26/56/263112656.db2.gz SNBRJFCASPBZFI-CQSZACIVSA-N 0 1 289.448 3.774 20 0 CHADMN Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(C)cc1 ZINC000290637191 263118106 /nfs/dbraw/zinc/11/81/06/263118106.db2.gz YGNBGVQMBHPOSO-INIZCTEOSA-N 0 1 269.392 3.672 20 0 CHADMN CC(C)c1ccc([C@@H]2CCCN2C(=O)c2cnc[nH]2)cc1 ZINC000340439305 263148406 /nfs/dbraw/zinc/14/84/06/263148406.db2.gz KBRCIRYKFNYJFG-INIZCTEOSA-N 0 1 283.375 3.510 20 0 CHADMN Cc1cc([C@H](C)NC[C@]2(C)C[C@H]2c2ccccc2)no1 ZINC000340439323 263148498 /nfs/dbraw/zinc/14/84/98/263148498.db2.gz KLMHYRDODJELIQ-QRTARXTBSA-N 0 1 270.376 3.827 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1CNCc1ncc(C(F)(F)F)cn1 ZINC000295069487 263171896 /nfs/dbraw/zinc/17/18/96/263171896.db2.gz QVKSUQFKMKOCED-AAEUAGOBSA-N 0 1 299.340 3.577 20 0 CHADMN Clc1ccccc1CNCc1ccc2c(c1)CCCN2 ZINC000414974779 263176180 /nfs/dbraw/zinc/17/61/80/263176180.db2.gz KNRNBFPMJGVISI-UHFFFAOYSA-N 0 1 286.806 3.988 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000453344338 263242704 /nfs/dbraw/zinc/24/27/04/263242704.db2.gz JBEQSWAFGPVILV-SDDRHHMPSA-N 0 1 261.394 3.610 20 0 CHADMN Cc1ccc(F)c(CNCc2cccc3c2CCCN3)c1 ZINC000415036291 263257132 /nfs/dbraw/zinc/25/71/32/263257132.db2.gz NJDNYSWFUHFUHW-UHFFFAOYSA-N 0 1 284.378 3.782 20 0 CHADMN CC[C@]1(CO)CCC[N@H+]([C@@H](C)c2cccc(Cl)c2)C1 ZINC000187560568 263262050 /nfs/dbraw/zinc/26/20/50/263262050.db2.gz LVIBMXDAOFFOSL-BBRMVZONSA-N 0 1 281.827 3.886 20 0 CHADMN COc1ccc([C@H](N[C@@H](C)c2nccnc2C)C(C)C)cc1 ZINC000187711896 263266982 /nfs/dbraw/zinc/26/69/82/263266982.db2.gz CFFJGOPUTLGVKM-WMLDXEAASA-N 0 1 299.418 3.842 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@]3(CCCOC3)C2)c(F)c1 ZINC000425342044 264009653 /nfs/dbraw/zinc/00/96/53/264009653.db2.gz YDMRDUXLMZLQOL-KRWDZBQOSA-N 0 1 295.373 3.666 20 0 CHADMN Clc1ccc(CN2CCC[C@@]3(CCCOC3)C2)s1 ZINC000353749953 264033194 /nfs/dbraw/zinc/03/31/94/264033194.db2.gz VKRKYFLHBGEVJR-CQSZACIVSA-N 0 1 285.840 3.794 20 0 CHADMN Cc1[nH]ncc1CNC(=O)[C@@H](CC1CCCCC1)C(C)C ZINC000330795850 264040047 /nfs/dbraw/zinc/04/00/47/264040047.db2.gz FHQTYBQAANVANY-INIZCTEOSA-N 0 1 291.439 3.577 20 0 CHADMN CC(C)[C@H]1CCCC[C@@H]1NCc1nc(C(C)(C)C)no1 ZINC000330913738 264076079 /nfs/dbraw/zinc/07/60/79/264076079.db2.gz RYZDXKLHPMSHQM-OLZOCXBDSA-N 0 1 279.428 3.672 20 0 CHADMN CC(C)CCn1cccc1CN1CC(CC(F)F)C1 ZINC000425363715 264136436 /nfs/dbraw/zinc/13/64/36/264136436.db2.gz CSVFKYCIVLBXRZ-UHFFFAOYSA-N 0 1 270.367 3.621 20 0 CHADMN CC(C)n1cncc1C[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000425372699 264202841 /nfs/dbraw/zinc/20/28/41/264202841.db2.gz UCSJILZEAFMULD-CQSZACIVSA-N 0 1 263.429 3.722 20 0 CHADMN Fc1cccc(Cl)c1CCCN1CC(CC(F)F)C1 ZINC000425368512 264213334 /nfs/dbraw/zinc/21/33/34/264213334.db2.gz XCMGADFPCLSTDJ-UHFFFAOYSA-N 0 1 291.744 3.999 20 0 CHADMN C[C@@H]1CSCCN(Cc2cc(Cl)cs2)C1 ZINC000425961428 264227308 /nfs/dbraw/zinc/22/73/08/264227308.db2.gz SQHYGTXWCUUXLM-VIFPVBQESA-N 0 1 261.843 3.586 20 0 CHADMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccn1)c1ccccc1 ZINC000474944196 264248462 /nfs/dbraw/zinc/24/84/62/264248462.db2.gz HYMWHHVJMDENPV-GOSISDBHSA-N 0 1 268.404 3.953 20 0 CHADMN CC[C@H]1CCCCN1Cc1nc(-c2ccccc2F)no1 ZINC000188949145 264259583 /nfs/dbraw/zinc/25/95/83/264259583.db2.gz MOPMHUPRAGNZOJ-LBPRGKRZSA-N 0 1 289.354 3.640 20 0 CHADMN CC[C@@H](C)[C@H](C)NCc1noc(-c2ccc(F)cc2F)n1 ZINC000189165232 264281503 /nfs/dbraw/zinc/28/15/03/264281503.db2.gz CHPZPYRROTWEFY-ZJUUUORDSA-N 0 1 295.333 3.539 20 0 CHADMN COc1ccccc1/C=C\CN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000475285314 264294569 /nfs/dbraw/zinc/29/45/69/264294569.db2.gz GKYDOLNSIBQZLC-MHQJXXKBSA-N 0 1 299.336 3.981 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1cc(C)c(C)cc1C ZINC000189558931 264307319 /nfs/dbraw/zinc/30/73/19/264307319.db2.gz QZSWVPVYTKWCIU-OAHLLOKOSA-N 0 1 284.403 3.866 20 0 CHADMN COc1cnccc1[C@H](C)NCc1cc(C)c(C)cc1C ZINC000189558911 264307808 /nfs/dbraw/zinc/30/78/08/264307808.db2.gz QZSWVPVYTKWCIU-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN Cc1ncsc1CN[C@H]1CCc2sc(Cl)cc21 ZINC000129657792 264329333 /nfs/dbraw/zinc/32/93/33/264329333.db2.gz MIHPMVFAAPMUDX-VIFPVBQESA-N 0 1 284.837 3.944 20 0 CHADMN COC[C@@H](N[C@@H]1CCCc2occc21)c1ccccc1 ZINC000189997544 264345023 /nfs/dbraw/zinc/34/50/23/264345023.db2.gz DOPIFSYMEIDHDW-HZPDHXFCSA-N 0 1 271.360 3.634 20 0 CHADMN CCCCN[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000185218865 265015477 /nfs/dbraw/zinc/01/54/77/265015477.db2.gz JCSHEZMIGXWVAG-NSHDSACASA-N 0 1 251.374 3.568 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2nc(C)sc2C)C12CCCC2 ZINC000344295382 265056416 /nfs/dbraw/zinc/05/64/16/265056416.db2.gz KAXNSORWQJTDLE-CABCVRRESA-N 0 1 294.464 3.587 20 0 CHADMN C[C@@H]1C[C@H](N[C@H](c2ccco2)c2ccccc2)CS1 ZINC000094472014 265243109 /nfs/dbraw/zinc/24/31/09/265243109.db2.gz TVQAHKNQKDEKJF-INWMFGNUSA-N 0 1 273.401 3.853 20 0 CHADMN C[C@@H](NCc1ccc(F)cc1)c1cc(F)cc(F)c1 ZINC000094826062 265257840 /nfs/dbraw/zinc/25/78/40/265257840.db2.gz FMXQJLYUHSWWFT-SNVBAGLBSA-N 0 1 265.278 3.955 20 0 CHADMN C[C@@H](NCc1cccc(F)c1)c1cc(F)cc(F)c1 ZINC000094826376 265259330 /nfs/dbraw/zinc/25/93/30/265259330.db2.gz DZHXOIRCOKENNS-SNVBAGLBSA-N 0 1 265.278 3.955 20 0 CHADMN Cc1cc(C[N@H+](C)C2CCC(C)(C)CC2)oc1C(=O)[O-] ZINC000094860102 265266391 /nfs/dbraw/zinc/26/63/91/265266391.db2.gz NLCRQTZLQISITM-UHFFFAOYSA-N 0 1 279.380 3.687 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1ncc(C(C)(C)C)o1 ZINC000519054539 265307417 /nfs/dbraw/zinc/30/74/17/265307417.db2.gz CNRHWCNRORXOIZ-LBPRGKRZSA-N 0 1 250.386 3.593 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cc(F)ccc1C ZINC000097849129 265638291 /nfs/dbraw/zinc/63/82/91/265638291.db2.gz HLPZUVRRJKHGIK-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3c2cccc3F)nc1C ZINC000314740809 266001217 /nfs/dbraw/zinc/00/12/17/266001217.db2.gz HMGTURFMWUSUNW-KRWDZBQOSA-N 0 1 270.351 3.615 20 0 CHADMN Cc1cnc([C@@H](Nc2ccnc(C)c2Cl)C2CC2)s1 ZINC000353162099 266035311 /nfs/dbraw/zinc/03/53/11/266035311.db2.gz IBFNLVZAXTWYGG-ZDUSSCGKSA-N 0 1 293.823 3.793 20 0 CHADMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1ccco1 ZINC000353165728 266035324 /nfs/dbraw/zinc/03/53/24/266035324.db2.gz UOVIEOFNOLAIPC-ABAIWWIYSA-N 0 1 279.767 3.799 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1ccc2ccccc2n1 ZINC000356281076 266086824 /nfs/dbraw/zinc/08/68/24/266086824.db2.gz YZLFIZWSLCDYNJ-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN c1cc(CN2CC3(CCC3)[C@@H]2C2CC2)n(-c2ccccc2)n1 ZINC000356290226 266088294 /nfs/dbraw/zinc/08/82/94/266088294.db2.gz YYEIOLSKEYIEHD-SFHVURJKSA-N 0 1 293.414 3.637 20 0 CHADMN Cc1cc(CN2CCC[C@H]2/C=C\c2ccccc2)on1 ZINC000356350734 266100133 /nfs/dbraw/zinc/10/01/33/266100133.db2.gz FQSMEUZYRHHURP-YDZSZYSISA-N 0 1 268.360 3.661 20 0 CHADMN Cc1noc([C@@H](C)NCCC23CC4CC(CC(C4)C2)C3)n1 ZINC000356519677 266129579 /nfs/dbraw/zinc/12/95/79/266129579.db2.gz QQDQDQBYFMXGNQ-AVULXXCZSA-N 0 1 289.423 3.635 20 0 CHADMN Cc1cc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)ccc1F ZINC000356523626 266130962 /nfs/dbraw/zinc/13/09/62/266130962.db2.gz MCRSLIIQURSIEG-SJORKVTESA-N 0 1 289.394 3.668 20 0 CHADMN COc1ccc2c(c1)C1(CC1)CN(Cc1ccsc1)C2 ZINC000356530894 266131836 /nfs/dbraw/zinc/13/18/36/266131836.db2.gz RKKHRKYMNJCXFE-UHFFFAOYSA-N 0 1 285.412 3.804 20 0 CHADMN CCC[C@H](NCc1ccccc1N(C)C)c1ccccn1 ZINC000356909300 266210351 /nfs/dbraw/zinc/21/03/51/266210351.db2.gz BWORHRMRSOLPBX-INIZCTEOSA-N 0 1 283.419 3.779 20 0 CHADMN Cn1ccc(CN2CC=C(c3ccccc3Cl)CC2)c1 ZINC000356929064 266212683 /nfs/dbraw/zinc/21/26/83/266212683.db2.gz CSMVMCOVHPKGQZ-UHFFFAOYSA-N 0 1 286.806 3.968 20 0 CHADMN CN(C)Cc1cc(-c2noc(C3=CCCC3)n2)ccc1F ZINC000357029489 266235052 /nfs/dbraw/zinc/23/50/52/266235052.db2.gz NHLUNHINVMWSJG-UHFFFAOYSA-N 0 1 287.338 3.505 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN(C)[C@H](C)C1CCC1 ZINC000357033675 266236661 /nfs/dbraw/zinc/23/66/61/266236661.db2.gz HXGGXRISSBHWCJ-CYBMUJFWSA-N 0 1 284.403 3.779 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2ccn(C3CCCC3)n2)C1 ZINC000357303231 266273464 /nfs/dbraw/zinc/27/34/64/266273464.db2.gz MCQLGPWBBJARPO-ZIAGYGMSSA-N 0 1 261.413 3.619 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN([C@@H](C)C1CC1)C1CC1 ZINC000357523570 266315811 /nfs/dbraw/zinc/31/58/11/266315811.db2.gz VKPQLOAEZFEVIJ-ZDUSSCGKSA-N 0 1 296.414 3.922 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1nc2c(cccc2F)n1CC ZINC000357555653 266323390 /nfs/dbraw/zinc/32/33/90/266323390.db2.gz TYFLYXKTOTWKRF-QWHCGFSZSA-N 0 1 289.398 3.958 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN(CCOCC2CC2)C2CC2)o1 ZINC000357603625 266333704 /nfs/dbraw/zinc/33/37/04/266333704.db2.gz JHXXIUXXFWTDFN-DYVFJYSZSA-N 0 1 289.419 3.794 20 0 CHADMN Cc1nc2c(Cl)cccc2c(NCc2cccnn2)c1C ZINC000357687818 266347457 /nfs/dbraw/zinc/34/74/57/266347457.db2.gz SJBYDSUNQAPDMJ-UHFFFAOYSA-N 0 1 298.777 3.907 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccc(C3CC3)cc2)c(C)n1 ZINC000357783584 266361701 /nfs/dbraw/zinc/36/17/01/266361701.db2.gz DWOKNANKICHAMT-GFCCVEGCSA-N 0 1 281.403 3.822 20 0 CHADMN CC[C@@H](N[C@H](C)c1cn[nH]c1)c1cc(Cl)ccc1OC ZINC000358372601 266458477 /nfs/dbraw/zinc/45/84/77/266458477.db2.gz WOEADDVSJLBXKD-QMTHXVAHSA-N 0 1 293.798 3.874 20 0 CHADMN CCc1nc(CS[C@@H]2CCCc3ccccc32)n[nH]1 ZINC000358856813 266501826 /nfs/dbraw/zinc/50/18/26/266501826.db2.gz LMSBIIPTIBESHA-CYBMUJFWSA-N 0 1 273.405 3.678 20 0 CHADMN c1ccc([C@H]2C[C@H]2CSc2nc(C3CC3)n[nH]2)cc1 ZINC000359163895 266545384 /nfs/dbraw/zinc/54/53/84/266545384.db2.gz XJHJWYHJZBMTKO-QWHCGFSZSA-N 0 1 271.389 3.578 20 0 CHADMN c1ccc([C@H]2C[C@H]2CSc2n[nH]c(C3CC3)n2)cc1 ZINC000359163895 266545386 /nfs/dbraw/zinc/54/53/86/266545386.db2.gz XJHJWYHJZBMTKO-QWHCGFSZSA-N 0 1 271.389 3.578 20 0 CHADMN COc1cc2c(cc1F)nccc2NCC1(C(F)F)CC1 ZINC000359850205 266645750 /nfs/dbraw/zinc/64/57/50/266645750.db2.gz UTOBOKXFFIRPTN-UHFFFAOYSA-N 0 1 296.292 3.840 20 0 CHADMN CN(Cc1cccnc1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000361237141 266806843 /nfs/dbraw/zinc/80/68/43/266806843.db2.gz IIORDEBWEONXDI-QWHCGFSZSA-N 0 1 272.314 3.635 20 0 CHADMN CCC1(CC)CCN(Cc2ncc(C)s2)CC1 ZINC000362583648 267010118 /nfs/dbraw/zinc/01/01/18/267010118.db2.gz MFBJZLWMOQPARU-UHFFFAOYSA-N 0 1 252.427 3.854 20 0 CHADMN Fc1cc(Cl)cc(CN2CCCC3(CC3)C2)c1 ZINC000362523752 267000619 /nfs/dbraw/zinc/00/06/19/267000619.db2.gz FZDQVBHRZMYOHK-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN CCc1nnc([C@H](C)N2CCC(CC)(CC)CC2)o1 ZINC000362603723 267019052 /nfs/dbraw/zinc/01/90/52/267019052.db2.gz OENCMAVNACGVNK-LBPRGKRZSA-N 0 1 265.401 3.595 20 0 CHADMN C[C@H](NCc1ccc(-c2ccncc2)cc1)c1ccccn1 ZINC000363152329 267077569 /nfs/dbraw/zinc/07/75/69/267077569.db2.gz URUMOEWVWOUXIB-HNNXBMFYSA-N 0 1 289.382 3.994 20 0 CHADMN CSc1cc(C)ccc1CN[C@H]1CCCc2n[nH]cc21 ZINC000367601530 267103437 /nfs/dbraw/zinc/10/34/37/267103437.db2.gz OEMFWCNCIDXPBS-AWEZNQCLSA-N 0 1 287.432 3.607 20 0 CHADMN c1nc([C@H]2CCCO2)sc1CN1CCC2(CCC2)CC1 ZINC000367692447 267109851 /nfs/dbraw/zinc/10/98/51/267109851.db2.gz ZOEDGQRDUQXFKF-CQSZACIVSA-N 0 1 292.448 3.761 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@H](C)N1C[C@H]2CCCC[C@H]21 ZINC000368092487 267145391 /nfs/dbraw/zinc/14/53/91/267145391.db2.gz LECOFBOWIVYJLX-ARFHVFGLSA-N 0 1 286.419 3.505 20 0 CHADMN CN(CC1CC1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000368451904 267174061 /nfs/dbraw/zinc/17/40/61/267174061.db2.gz VZFFRIPWGCGISU-INIZCTEOSA-N 0 1 287.794 3.561 20 0 CHADMN FCCCN1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000368472826 267175161 /nfs/dbraw/zinc/17/51/61/267175161.db2.gz BBQZHGMMGTWSQV-MRXNPFEDSA-N 0 1 287.382 3.963 20 0 CHADMN CN(C)c1cccc([C@@H]2CCCN2Cc2cncc(F)c2)c1 ZINC000368495447 267177735 /nfs/dbraw/zinc/17/77/35/267177735.db2.gz VDQQRZJIMHSVMY-SFHVURJKSA-N 0 1 299.393 3.624 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000368584665 267189169 /nfs/dbraw/zinc/18/91/69/267189169.db2.gz NOIPHYHPZSYTMV-PRXAMGSTSA-N 0 1 286.350 3.702 20 0 CHADMN Clc1ccc(CN2CCC[C@H](c3ccncn3)C2)cc1 ZINC000368756522 267201414 /nfs/dbraw/zinc/20/14/14/267201414.db2.gz SDHNFFMOEHJIQS-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN COc1ccc([C@@H](NCc2nc(C)cs2)C(C)C)cc1 ZINC000117381865 267212213 /nfs/dbraw/zinc/21/22/13/267212213.db2.gz CUWARUDRYOTDIK-INIZCTEOSA-N 0 1 290.432 3.947 20 0 CHADMN CC(C)n1ccnc1CN1CCC2(C1)CCCCC2 ZINC000369618609 267256109 /nfs/dbraw/zinc/25/61/09/267256109.db2.gz JESXIBKGPXVHFG-UHFFFAOYSA-N 0 1 261.413 3.620 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)N1CCc2n[nH]cc2C1 ZINC000118852816 267274499 /nfs/dbraw/zinc/27/44/99/267274499.db2.gz HVGHUYFSYUGKOA-CYBMUJFWSA-N 0 1 277.371 3.682 20 0 CHADMN Cc1cccnc1CNCc1cccn1CCC(C)C ZINC000119136654 267303209 /nfs/dbraw/zinc/30/32/09/267303209.db2.gz BFQFPMUWGIAXKL-UHFFFAOYSA-N 0 1 271.408 3.527 20 0 CHADMN Cc1nc(CCN(C)[C@@H](C)c2cc(F)ccc2F)cs1 ZINC000119238785 267312522 /nfs/dbraw/zinc/31/25/22/267312522.db2.gz UOBGGKLTKDLHPY-JTQLQIEISA-N 0 1 296.386 3.965 20 0 CHADMN C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1cnccn1 ZINC000119321402 267321869 /nfs/dbraw/zinc/32/18/69/267321869.db2.gz YHVOFRMNBGDVLJ-SJKOYZFVSA-N 0 1 285.366 3.808 20 0 CHADMN CCCc1ccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000370624459 267332248 /nfs/dbraw/zinc/33/22/48/267332248.db2.gz LJWQIJALJYFLNV-OAHLLOKOSA-N 0 1 298.390 3.561 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3ccncc3)c2)CC(C)(C)O1 ZINC000119533103 267343956 /nfs/dbraw/zinc/34/39/56/267343956.db2.gz CAVZXYJHLGQDBN-OAHLLOKOSA-N 0 1 296.414 3.748 20 0 CHADMN CC(C)c1cnc(CN[C@@H](CO)CC2CCCCC2)s1 ZINC000418129828 267358269 /nfs/dbraw/zinc/35/82/69/267358269.db2.gz TWNDQCSEPUHUDU-CQSZACIVSA-N 0 1 296.480 3.687 20 0 CHADMN c1nc(CN2CCC3(CC3)CC2)oc1-c1ccccc1 ZINC000371340541 267394306 /nfs/dbraw/zinc/39/43/06/267394306.db2.gz GANHREHHICFWLH-UHFFFAOYSA-N 0 1 268.360 3.718 20 0 CHADMN Fc1ccccc1-c1cnc(CN2CCC3(CC3)CC2)o1 ZINC000376798200 268018542 /nfs/dbraw/zinc/01/85/42/268018542.db2.gz DPXMBOZKLKMMKU-UHFFFAOYSA-N 0 1 286.350 3.857 20 0 CHADMN CC(C)n1ccc(CN2CCC[C@]3(CC=CCC3)C2)n1 ZINC000172016457 335088763 /nfs/dbraw/zinc/08/87/63/335088763.db2.gz FFUMMCCSBCTAAN-QGZVFWFLSA-N 0 1 273.424 3.786 20 0 CHADMN Cc1nc(CN2CCC(C(C)(C)C)CC2)oc1C ZINC000172031058 335090012 /nfs/dbraw/zinc/09/00/12/335090012.db2.gz XHKDUBYWFKTCGP-UHFFFAOYSA-N 0 1 250.386 3.550 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)[C@@H]1C(=O)[O-] ZINC000334642049 533696774 /nfs/dbraw/zinc/69/67/74/533696774.db2.gz ARQDRGYGKFXENR-DYVFJYSZSA-N 0 1 283.371 3.525 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@@H](C)c1cccnc1 ZINC000158484889 327629511 /nfs/dbraw/zinc/62/95/11/327629511.db2.gz QRHXSBNGDATACG-QWHCGFSZSA-N 0 1 286.423 3.753 20 0 CHADMN C[C@@H]1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)[C@@H]1C ZINC000175269451 327664500 /nfs/dbraw/zinc/66/45/00/327664500.db2.gz IFXQOGPWPIOHIQ-HTQZYQBOSA-N 0 1 288.174 3.570 20 0 CHADMN Cc1nc(CN[C@H](c2ccccc2)C(C)C)[nH]c1C ZINC000580096734 327698055 /nfs/dbraw/zinc/69/80/55/327698055.db2.gz OMNSKQODNJGPOU-INIZCTEOSA-N 0 1 257.381 3.513 20 0 CHADMN Clc1cccc(CNCc2cc[nH]c2)c1Cl ZINC000309517517 327812868 /nfs/dbraw/zinc/81/28/68/327812868.db2.gz AIXXGKIUEZDTNH-UHFFFAOYSA-N 0 1 255.148 3.611 20 0 CHADMN C[C@H](CC1CC1)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000184657434 327831914 /nfs/dbraw/zinc/83/19/14/327831914.db2.gz AJHOPCOSPSCHCX-GHMZBOCLSA-N 0 1 289.354 3.715 20 0 CHADMN CCC[C@@H](NCc1ccccc1F)c1cccnc1 ZINC000184855745 327834328 /nfs/dbraw/zinc/83/43/28/327834328.db2.gz VNTKEPABGOAYQS-MRXNPFEDSA-N 0 1 258.340 3.852 20 0 CHADMN CCC[C@H](NCc1ccc(OC(C)C)nc1)c1cccnc1 ZINC000185045940 327836185 /nfs/dbraw/zinc/83/61/85/327836185.db2.gz PDKNDNGLJFSFDU-KRWDZBQOSA-N 0 1 299.418 3.895 20 0 CHADMN Fc1ccc(C2(NCc3cccc(F)c3)CC2)cc1 ZINC000531444574 327908111 /nfs/dbraw/zinc/90/81/11/327908111.db2.gz PLOPCRBDUSAXSD-UHFFFAOYSA-N 0 1 259.299 3.744 20 0 CHADMN CCCCOCCNCc1ccc(Cl)cc1Cl ZINC000040506058 327916434 /nfs/dbraw/zinc/91/64/34/327916434.db2.gz VESSDEODFKQNEV-UHFFFAOYSA-N 0 1 276.207 3.900 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cccc(F)c2F)c1 ZINC000121926141 327923023 /nfs/dbraw/zinc/92/30/23/327923023.db2.gz YNKFXDYJGIMJSD-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN COc1ccc(CNC(C)(C)c2cccc(F)c2)c(F)c1 ZINC000563252356 328000918 /nfs/dbraw/zinc/00/09/18/328000918.db2.gz PGXFAMCQYPFMQG-UHFFFAOYSA-N 0 1 291.341 3.998 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1CCCCC(=O)[O-] ZINC000563285124 328008656 /nfs/dbraw/zinc/00/86/56/328008656.db2.gz XTILKHXXCKNKAD-GOEBONIOSA-N 0 1 275.392 3.509 20 0 CHADMN O=C([O-])CC1(C[N@H+]2CCCC3(CCCCC3)CC2)CC1 ZINC000563282951 328008663 /nfs/dbraw/zinc/00/86/63/328008663.db2.gz LJGQMLIXEYUMHO-UHFFFAOYSA-N 0 1 279.424 3.678 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000563277924 328006751 /nfs/dbraw/zinc/00/67/51/328006751.db2.gz PXIWOYNIUJTBGM-AEFFLSMTSA-N 0 1 289.419 3.684 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000563279297 328007089 /nfs/dbraw/zinc/00/70/89/328007089.db2.gz ZIVUFKCVMVPSRO-AWEZNQCLSA-N 0 1 281.783 3.659 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2Cc2occc2C(=O)[O-])cc1C ZINC000563279139 328007107 /nfs/dbraw/zinc/00/71/07/328007107.db2.gz PCOJODWOBGBJLV-MRXNPFEDSA-N 0 1 299.370 3.932 20 0 CHADMN Fc1ccc(Br)c(CN2C[C@H]3CCC[C@@H]3C2)c1 ZINC000531548496 328014801 /nfs/dbraw/zinc/01/48/01/328014801.db2.gz PVMJYMYETLHFFI-GHMZBOCLSA-N 0 1 298.199 3.820 20 0 CHADMN CCc1cc(CN[C@H](CC)c2cccs2)on1 ZINC000531723176 328023336 /nfs/dbraw/zinc/02/33/36/328023336.db2.gz CAEFIZGFJBHXRH-GFCCVEGCSA-N 0 1 250.367 3.539 20 0 CHADMN COCC1(NCc2ccc(-c3cccc(F)c3C)o2)CC1 ZINC000531701443 328025914 /nfs/dbraw/zinc/02/59/14/328025914.db2.gz TWIFHUULVHSLBA-UHFFFAOYSA-N 0 1 289.350 3.663 20 0 CHADMN CSCCN(C)[C@@H](C)c1ccccc1Br ZINC000531713512 328028005 /nfs/dbraw/zinc/02/80/05/328028005.db2.gz CXHCSABHMKYOGM-JTQLQIEISA-N 0 1 288.254 3.805 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@H](C)c2ccsc2)cn1 ZINC000531717400 328028180 /nfs/dbraw/zinc/02/81/80/328028180.db2.gz SQXRALGHANBVQT-VXGBXAGGSA-N 0 1 263.410 3.937 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@@H](C)c2ccsc2)cn1 ZINC000531717399 328028343 /nfs/dbraw/zinc/02/83/43/328028343.db2.gz SQXRALGHANBVQT-RYUDHWBXSA-N 0 1 263.410 3.937 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@@H](CO)c1ccccc1C ZINC000531737117 328028985 /nfs/dbraw/zinc/02/89/85/328028985.db2.gz LNBNPQIIHAVHGE-YJBOKZPZSA-N 0 1 299.414 3.696 20 0 CHADMN Cc1ccccc1[C@H](CO)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000531738598 328029310 /nfs/dbraw/zinc/02/93/10/328029310.db2.gz FYFAXSKNSZKRAM-SJCJKPOMSA-N 0 1 291.341 3.657 20 0 CHADMN CC(C)C[C@@H]1COCCN1Cc1cc2ccccc2o1 ZINC000531757213 328032066 /nfs/dbraw/zinc/03/20/66/328032066.db2.gz PJPDIDJDNOZRGT-OAHLLOKOSA-N 0 1 273.376 3.680 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1ccoc1C(=O)OC ZINC000531757262 328032115 /nfs/dbraw/zinc/03/21/15/328032115.db2.gz MMUKBGVKFOQJIC-AWEZNQCLSA-N 0 1 279.380 3.611 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1ccoc1C(=O)OC ZINC000531757263 328032137 /nfs/dbraw/zinc/03/21/37/328032137.db2.gz MMUKBGVKFOQJIC-CQSZACIVSA-N 0 1 279.380 3.611 20 0 CHADMN CC[C@@H](C)CSc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000531775803 328032669 /nfs/dbraw/zinc/03/26/69/328032669.db2.gz DSIXLDOSUAZJLY-SNVBAGLBSA-N 0 1 277.393 3.619 20 0 CHADMN CCCCCN(CCCCC)Cc1ncc(C)cn1 ZINC000534077155 328034318 /nfs/dbraw/zinc/03/43/18/328034318.db2.gz JEAJVEVBWDWRLS-UHFFFAOYSA-N 0 1 263.429 3.967 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(-c3ccco3)on2)C1 ZINC000048058404 328039256 /nfs/dbraw/zinc/03/92/56/328039256.db2.gz BRQOKXMSYIKEMK-LBPRGKRZSA-N 0 1 260.337 3.557 20 0 CHADMN Cc1ccc(O)c(C[N@H+](C)[C@H]2CCCc3ccccc32)n1 ZINC000534332961 328045276 /nfs/dbraw/zinc/04/52/76/328045276.db2.gz ZAIKDQRORBNSHH-KRWDZBQOSA-N 0 1 282.387 3.605 20 0 CHADMN Cc1nn(C)c(C)c1CN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000534327320 328045907 /nfs/dbraw/zinc/04/59/07/328045907.db2.gz VIDAOUGGAZRLAR-UHFFFAOYSA-N 0 1 299.462 3.966 20 0 CHADMN Cc1ccc2oc(CNCc3ccc(C)nc3)cc2c1 ZINC000152080523 328057257 /nfs/dbraw/zinc/05/72/57/328057257.db2.gz ONMDHDDAOKWZJX-UHFFFAOYSA-N 0 1 266.344 3.734 20 0 CHADMN Cc1ncsc1CNCc1cc2cc(C)ccc2o1 ZINC000152196195 328079464 /nfs/dbraw/zinc/07/94/64/328079464.db2.gz SPJBMCCOBDJORG-UHFFFAOYSA-N 0 1 272.373 3.796 20 0 CHADMN CCc1nc(C)c(CNC(C)(C)c2ccccc2C)o1 ZINC000571109210 328086310 /nfs/dbraw/zinc/08/63/10/328086310.db2.gz RTTKSRRQZYIURY-UHFFFAOYSA-N 0 1 272.392 3.879 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])s2)[C@H]2CCCC[C@H]12 ZINC000571171962 328090646 /nfs/dbraw/zinc/09/06/46/328090646.db2.gz GWHRVXHHMFACEK-BNOWGMLFSA-N 0 1 293.432 3.847 20 0 CHADMN Cc1nnsc1CNC(C)(C)c1ccc(Cl)cc1 ZINC000571214405 328092420 /nfs/dbraw/zinc/09/24/20/328092420.db2.gz JPKHLPJKVOYJJF-UHFFFAOYSA-N 0 1 281.812 3.525 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2CC(C)(C)C[C@H]2C)c(C)c1 ZINC000412042107 328102337 /nfs/dbraw/zinc/10/23/37/328102337.db2.gz MFOKEZWKVZMLCF-OAHLLOKOSA-N 0 1 288.435 3.671 20 0 CHADMN COc1ccc(Cl)cc1[C@H](C)N[C@H]1CCC[C@H]1F ZINC000571349068 328114398 /nfs/dbraw/zinc/11/43/98/328114398.db2.gz AWWHISCVVQGOSZ-BIMULSAOSA-N 0 1 271.763 3.890 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000571451909 328122877 /nfs/dbraw/zinc/12/28/77/328122877.db2.gz CXDJHYUYPLFOJD-JTQLQIEISA-N 0 1 289.331 3.605 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000571451909 328122879 /nfs/dbraw/zinc/12/28/79/328122879.db2.gz CXDJHYUYPLFOJD-JTQLQIEISA-N 0 1 289.331 3.605 20 0 CHADMN CCN(C/C=C\c1ccc(F)c(F)c1)Cc1ccccn1 ZINC000572849169 328124967 /nfs/dbraw/zinc/12/49/67/328124967.db2.gz JGTXDPYVDRIZME-WAYWQWQTSA-N 0 1 288.341 3.895 20 0 CHADMN Cc1c(CN(C)Cc2ccc(C(C)(C)C)s2)cnn1C ZINC000571508510 328129050 /nfs/dbraw/zinc/12/90/50/328129050.db2.gz DPGINUYFOWSIAA-UHFFFAOYSA-N 0 1 291.464 3.720 20 0 CHADMN Cc1ccc(CN(C)C[C@H]2CCC3(CCCC3)O2)o1 ZINC000571583658 328135724 /nfs/dbraw/zinc/13/57/24/328135724.db2.gz WARCMMAHCWUXMF-OAHLLOKOSA-N 0 1 263.381 3.512 20 0 CHADMN CC[C@@H](CN1CCOC[C@@H]1CC(F)F)c1ccccc1 ZINC000571601979 328136700 /nfs/dbraw/zinc/13/67/00/328136700.db2.gz ITUKWJZHCAKTNM-ZFWWWQNUSA-N 0 1 283.362 3.536 20 0 CHADMN C[C@@H](NCc1cc2ccccc2s1)c1cc2n(n1)CCC2 ZINC000414064688 328152736 /nfs/dbraw/zinc/15/27/36/328152736.db2.gz FZAXQVFKQOHVBB-GFCCVEGCSA-N 0 1 297.427 3.895 20 0 CHADMN CC(C)CC[C@@H]1CC[C@H](N[C@H](C)c2csnn2)C1 ZINC000414303273 328153885 /nfs/dbraw/zinc/15/38/85/328153885.db2.gz NHJXCIHZDNGJSU-UPJWGTAASA-N 0 1 267.442 3.794 20 0 CHADMN Cc1ccc(CNCc2c(C)c(C)c(C)c(C)c2C)nn1 ZINC000414362467 328155375 /nfs/dbraw/zinc/15/53/75/328155375.db2.gz SVUQSWFSNNYKPR-UHFFFAOYSA-N 0 1 283.419 3.617 20 0 CHADMN Cc1cccc([C@@H](NCc2ccc(C)nn2)C(C)(C)C)c1 ZINC000414368426 328155923 /nfs/dbraw/zinc/15/59/23/328155923.db2.gz SRRYNVJZIGVSKS-QGZVFWFLSA-N 0 1 283.419 3.970 20 0 CHADMN CCc1ncc(CN(C2CC2)[C@H]2CCc3ccccc32)cn1 ZINC000414368580 328156067 /nfs/dbraw/zinc/15/60/67/328156067.db2.gz HNKYVHQAFNZBRL-SFHVURJKSA-N 0 1 293.414 3.691 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3ccc(C(C)C)cc32)nn1 ZINC000414432831 328169181 /nfs/dbraw/zinc/16/91/81/328169181.db2.gz MXZMTNVWKVSWBC-GOSISDBHSA-N 0 1 281.403 3.686 20 0 CHADMN Clc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1Cl ZINC000268813798 328186013 /nfs/dbraw/zinc/18/60/13/328186013.db2.gz FOTQBCFWMDTYAW-ZDUSSCGKSA-N 0 1 296.201 3.884 20 0 CHADMN Cc1ccn2cc(CN[C@H](C)c3ccccc3C)nc2c1 ZINC000268939078 328187035 /nfs/dbraw/zinc/18/70/35/328187035.db2.gz VEPWMGPERMBIPA-OAHLLOKOSA-N 0 1 279.387 3.802 20 0 CHADMN O[C@H]1C[C@H](c2ccccc2)N(Cc2cc(Cl)cs2)C1 ZINC000414492500 328187387 /nfs/dbraw/zinc/18/73/87/328187387.db2.gz ZDSYCHHJHUTJSI-DZGCQCFKSA-N 0 1 293.819 3.709 20 0 CHADMN CC(C)(C)c1ccncc1CNCc1cc(O)cc(F)c1 ZINC000414494252 328188389 /nfs/dbraw/zinc/18/83/89/328188389.db2.gz DOLISSTUIVFFIT-UHFFFAOYSA-N 0 1 288.366 3.514 20 0 CHADMN CCN(C/C=C/c1ccncc1)Cc1occc1C ZINC000414549363 328193609 /nfs/dbraw/zinc/19/36/09/328193609.db2.gz LCUVMTIWFSGRBJ-SNAWJCMRSA-N 0 1 256.349 3.518 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2ccc3ccccc3c2O)n1 ZINC000414615226 328202064 /nfs/dbraw/zinc/20/20/64/328202064.db2.gz GPPZPISMFIUQTR-CQSZACIVSA-N 0 1 297.358 3.641 20 0 CHADMN Fc1cc(CN[C@@H](c2cccnc2)C2CC2)cc(F)c1F ZINC000340103383 328240503 /nfs/dbraw/zinc/24/05/03/328240503.db2.gz DJUREOXJYUNKBH-MRXNPFEDSA-N 0 1 292.304 3.740 20 0 CHADMN COc1ccccc1CNCc1ccc(CSC)cc1 ZINC000285510549 328247892 /nfs/dbraw/zinc/24/78/92/328247892.db2.gz OBUSBMUPEPQEJH-UHFFFAOYSA-N 0 1 287.428 3.848 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1ccc2sccc2c1 ZINC000289949892 328256906 /nfs/dbraw/zinc/25/69/06/328256906.db2.gz WKIPWVKBNCHVPP-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN Fc1ccc(F)c(CNCc2cccc3c2CCCN3)c1 ZINC000415020925 328299271 /nfs/dbraw/zinc/29/92/71/328299271.db2.gz AILQQGHDBZWJLF-UHFFFAOYSA-N 0 1 288.341 3.613 20 0 CHADMN COc1cc(C)nc(C[N@H+]2CC[C@@](C)(c3ccccc3)C2)c1 ZINC000534545666 328306311 /nfs/dbraw/zinc/30/63/11/328306311.db2.gz SYYALJAKYOZDIU-LJQANCHMSA-N 0 1 296.414 3.562 20 0 CHADMN CCc1ccc([C@H](C)NCc2nc3ccccc3[nH]2)cc1 ZINC000048777314 328320351 /nfs/dbraw/zinc/32/03/51/328320351.db2.gz BAUFGNFCFRYMMQ-ZDUSSCGKSA-N 0 1 279.387 3.976 20 0 CHADMN CCC[C@@H](CC1CCCCC1)C(=O)N1CCCN(C)CC1 ZINC000534601400 328320386 /nfs/dbraw/zinc/32/03/86/328320386.db2.gz UEUBIUOSAVAJFS-KRWDZBQOSA-N 0 1 294.483 3.537 20 0 CHADMN CC[C@H](C)[C@H](C)N[C@@H](c1nccn1C)c1ccccc1 ZINC000531942528 328325355 /nfs/dbraw/zinc/32/53/55/328325355.db2.gz HRXBNGUKFZVGEH-OFQRWUPVSA-N 0 1 271.408 3.534 20 0 CHADMN C[C@H]1CCC[C@H](N(C)CC(=O)c2c[nH]c3ccccc23)C1 ZINC000049013311 328328781 /nfs/dbraw/zinc/32/87/81/328328781.db2.gz DUIKRTCNNTVQOQ-KBPBESRZSA-N 0 1 284.403 3.861 20 0 CHADMN Fc1ccc2nc(-c3cnc(-c4ccccn4)s3)[nH]c2c1 ZINC000534635325 328333577 /nfs/dbraw/zinc/33/35/77/328333577.db2.gz QGSVKHYBSVFTLE-UHFFFAOYSA-N 0 1 296.330 3.888 20 0 CHADMN CC[C@H](C)CN(C)CC(=O)Nc1ccccc1C(C)C ZINC000111254908 328340777 /nfs/dbraw/zinc/34/07/77/328340777.db2.gz MQPZMDRLOOILCA-AWEZNQCLSA-N 0 1 276.424 3.726 20 0 CHADMN CCCN(C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000049480620 328364710 /nfs/dbraw/zinc/36/47/10/328364710.db2.gz DPLGVUBOWCYQLH-VIFPVBQESA-N 0 1 289.206 3.662 20 0 CHADMN CCC(CC)[C@H](C)C(=O)N1CCN(C)CC12CCCCC2 ZINC000534885197 328366973 /nfs/dbraw/zinc/36/69/73/328366973.db2.gz PZGKWEZUMPEGTQ-HNNXBMFYSA-N 0 1 294.483 3.536 20 0 CHADMN C[C@H](NCCOC1CCCC1)c1ccc(F)cc1F ZINC000111634055 328369931 /nfs/dbraw/zinc/36/99/31/328369931.db2.gz URIMAQGCKHCXRD-NSHDSACASA-N 0 1 269.335 3.575 20 0 CHADMN OC[C@H](NCc1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000304243684 328377478 /nfs/dbraw/zinc/37/74/78/328377478.db2.gz UCGIKXPQSIYBNR-SFHVURJKSA-N 0 1 293.366 3.770 20 0 CHADMN c1ccc([C@H](NCc2nc3ccccc3[nH]2)C2CC2)cc1 ZINC000049956665 328379854 /nfs/dbraw/zinc/37/98/54/328379854.db2.gz KIVJJCNOOJGTCT-SFHVURJKSA-N 0 1 277.371 3.804 20 0 CHADMN C[C@@H](NCc1ccccc1CO)c1ccccc1Cl ZINC000304715376 328382150 /nfs/dbraw/zinc/38/21/50/328382150.db2.gz NBAKXKXBNAGCHI-GFCCVEGCSA-N 0 1 275.779 3.683 20 0 CHADMN CCc1ccc(-c2noc(CN(CC)CC3CC3)n2)cc1 ZINC000112210653 328389440 /nfs/dbraw/zinc/38/94/40/328389440.db2.gz AJTIAMMMRYHYJE-UHFFFAOYSA-N 0 1 285.391 3.531 20 0 CHADMN CC(C)[C@H]1CCN(Cc2csc(C(C)(C)C)n2)C1 ZINC000532038859 328396981 /nfs/dbraw/zinc/39/69/81/328396981.db2.gz WPXYTDSAMDBRAD-LBPRGKRZSA-N 0 1 266.454 3.919 20 0 CHADMN CN(C(=O)c1ccc2cncn2c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416281874 328434017 /nfs/dbraw/zinc/43/40/17/328434017.db2.gz AZYLMNOCACCSNQ-CVEARBPZSA-N 0 1 299.418 3.621 20 0 CHADMN C[C@@H](N[C@H]1CSc2ccccc21)c1cccnc1 ZINC000123632274 328454709 /nfs/dbraw/zinc/45/47/09/328454709.db2.gz RLHIHOYAVOQIQM-RISCZKNCSA-N 0 1 256.374 3.579 20 0 CHADMN CC1(C)CC(CN[C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000525859164 328510565 /nfs/dbraw/zinc/51/05/65/328510565.db2.gz RBBWMVNOZNNTQL-QGZVFWFLSA-N 0 1 299.393 3.731 20 0 CHADMN Cc1ccc(CN[C@H](c2ccccc2F)[C@H](C)O)c(C)c1 ZINC000575321876 335093390 /nfs/dbraw/zinc/09/33/90/335093390.db2.gz MJZYSPWJVLUTHD-KSSFIOAISA-N 0 1 287.378 3.654 20 0 CHADMN CCC1CCN(Cc2nc3cc(F)ccc3n2CC)CC1 ZINC000533417006 326830338 /nfs/dbraw/zinc/83/03/38/326830338.db2.gz MZEOPDMSEWCQQJ-UHFFFAOYSA-N 0 1 289.398 3.817 20 0 CHADMN CCc1ccc([C@H](CC)NCc2cnc(C)o2)cc1 ZINC000398071981 326870846 /nfs/dbraw/zinc/87/08/46/326870846.db2.gz OCWFPSDVHDBVOT-INIZCTEOSA-N 0 1 258.365 3.786 20 0 CHADMN CC(C)(C)c1nc(CNC2(C3(C)CC3)CC2)cs1 ZINC000398210512 326874907 /nfs/dbraw/zinc/87/49/07/326874907.db2.gz GRRDSOPPESBPPI-UHFFFAOYSA-N 0 1 264.438 3.863 20 0 CHADMN Cc1ccc(F)c(CN[C@H](c2cnn(C)c2)C(C)(C)C)c1 ZINC000530729078 326888249 /nfs/dbraw/zinc/88/82/49/326888249.db2.gz BAEUTTHUHXFLEO-MRXNPFEDSA-N 0 1 289.398 3.745 20 0 CHADMN CCCCCC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000530831087 326892823 /nfs/dbraw/zinc/89/28/23/326892823.db2.gz LBEXGVNPBNFWKG-OAHLLOKOSA-N 0 1 296.842 3.639 20 0 CHADMN COC[C@@H](NCc1ccccc1C)c1ccc(F)cc1 ZINC000530967981 326947487 /nfs/dbraw/zinc/94/74/87/326947487.db2.gz XAXXVVOLQLHAKN-QGZVFWFLSA-N 0 1 273.351 3.611 20 0 CHADMN FC(F)(F)C1CCN(C/C=C\c2ccccc2)CC1 ZINC000255206568 326957464 /nfs/dbraw/zinc/95/74/64/326957464.db2.gz XISOOGJHVMLQDY-DAXSKMNVSA-N 0 1 269.310 3.974 20 0 CHADMN CO[C@@H](CNCc1ccsc1Cl)c1ccccc1 ZINC000312762618 326963272 /nfs/dbraw/zinc/96/32/72/326963272.db2.gz JVHZGDZYPSYEFL-ZDUSSCGKSA-N 0 1 281.808 3.879 20 0 CHADMN C[C@@H]1CN(Cc2csc(Br)c2)C[C@H]1C ZINC000530971293 326972231 /nfs/dbraw/zinc/97/22/31/326972231.db2.gz UKDSQLODDRJBCF-RKDXNWHRSA-N 0 1 274.227 3.598 20 0 CHADMN Cc1ccnc([C@H](C)N[C@H]2CCc3ccc(F)cc32)c1 ZINC000556859358 326973632 /nfs/dbraw/zinc/97/36/32/326973632.db2.gz YRBXPZKHNLVPMQ-LRDDRELGSA-N 0 1 270.351 3.867 20 0 CHADMN CC(C)=CCC[C@H](C)CCNC(C)(C)c1nc(C)no1 ZINC000557367195 327003176 /nfs/dbraw/zinc/00/31/76/327003176.db2.gz HDFVJJDLBSIOBR-ZDUSSCGKSA-N 0 1 279.428 3.975 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000263308602 327013712 /nfs/dbraw/zinc/01/37/12/327013712.db2.gz FXADONAOKYGISK-QCODTGAPSA-N 0 1 279.424 3.530 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263340488 327019250 /nfs/dbraw/zinc/01/92/50/327019250.db2.gz NGRPNGBAHRWBBE-OSAQELSMSA-N 0 1 295.810 3.834 20 0 CHADMN O=C(CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000088435960 327025273 /nfs/dbraw/zinc/02/52/73/327025273.db2.gz SHWHTPRLVSSBRO-ZDUSSCGKSA-N 0 1 285.309 3.534 20 0 CHADMN O=C(CCN1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000088435960 327025274 /nfs/dbraw/zinc/02/52/74/327025274.db2.gz SHWHTPRLVSSBRO-ZDUSSCGKSA-N 0 1 285.309 3.534 20 0 CHADMN CCn1cncc1CN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000090170841 327031523 /nfs/dbraw/zinc/03/15/23/327031523.db2.gz WBUWXWAUWXFPKR-AWEZNQCLSA-N 0 1 287.407 3.541 20 0 CHADMN CC1(C)CC[C@H](C(=O)Nc2cc(Cl)c(O)cc2F)C1 ZINC000557938965 327036495 /nfs/dbraw/zinc/03/64/95/327036495.db2.gz VKNPWBSUHJUYKE-QMMMGPOBSA-N 0 1 285.746 3.950 20 0 CHADMN CCCN(C)CC(=O)Nc1cccc(-c2ccccc2)c1 ZINC000557946024 327036659 /nfs/dbraw/zinc/03/66/59/327036659.db2.gz BJXXFDKDUOSLMW-UHFFFAOYSA-N 0 1 282.387 3.634 20 0 CHADMN CC(C)C1CCC(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)CC1 ZINC000263491368 327046799 /nfs/dbraw/zinc/04/67/99/327046799.db2.gz IQIHPVYUENEJNO-LMPOIIKSSA-N 0 1 281.440 3.634 20 0 CHADMN Fc1ccc(CN[C@H]2C[C@@H]2C(F)F)c(Cl)c1Cl ZINC000558130776 327075281 /nfs/dbraw/zinc/07/52/81/327075281.db2.gz LJHDJZLSQKFXGP-XPUUQOCRSA-N 0 1 284.108 3.876 20 0 CHADMN COc1cncc(CN(C)C/C(C)=C\c2ccccc2)c1 ZINC000558164338 327076178 /nfs/dbraw/zinc/07/61/78/327076178.db2.gz BOXRPUAEYLVISK-DHDCSXOGSA-N 0 1 282.387 3.626 20 0 CHADMN CC[C@@H]1CC[C@H]1NCc1c(F)cc(F)c(F)c1F ZINC000558255322 327081979 /nfs/dbraw/zinc/08/19/79/327081979.db2.gz OCFGUTCVCITXQX-RDDDGLTNSA-N 0 1 261.262 3.521 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccc(OC)cc2)o1 ZINC000090339760 327094332 /nfs/dbraw/zinc/09/43/32/327094332.db2.gz KYUIYBKSNDOWIG-GFCCVEGCSA-N 0 1 259.349 3.701 20 0 CHADMN CC(C)[C@H](N[C@H]1CC[C@H]1C1CCC1)c1nc(C2CC2)no1 ZINC000558699230 327115577 /nfs/dbraw/zinc/11/55/77/327115577.db2.gz DSLYHBGTRONVAL-KKUMJFAQSA-N 0 1 289.423 3.812 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000569347452 327118253 /nfs/dbraw/zinc/11/82/53/327118253.db2.gz CTJKNWSJNSNBNE-INIZCTEOSA-N 0 1 271.360 3.525 20 0 CHADMN C[C@@H](c1ccccc1F)N1CCN(Cc2ccccc2)CC1 ZINC000558737454 327118398 /nfs/dbraw/zinc/11/83/98/327118398.db2.gz BVCBLXHSRFQLKM-INIZCTEOSA-N 0 1 298.405 3.705 20 0 CHADMN OC1(C[N@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)CCCC1 ZINC000558750447 327119024 /nfs/dbraw/zinc/11/90/24/327119024.db2.gz DVYNIDFPZNZIIB-MRXNPFEDSA-N 0 1 297.801 3.516 20 0 CHADMN OC1(CN2CC[C@](F)(c3cccc(Cl)c3)C2)CCCC1 ZINC000558750447 327119025 /nfs/dbraw/zinc/11/90/25/327119025.db2.gz DVYNIDFPZNZIIB-MRXNPFEDSA-N 0 1 297.801 3.516 20 0 CHADMN OC1(C[N@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)CCCC1 ZINC000558750446 327119116 /nfs/dbraw/zinc/11/91/16/327119116.db2.gz DVYNIDFPZNZIIB-INIZCTEOSA-N 0 1 297.801 3.516 20 0 CHADMN OC1(CN2CC[C@@](F)(c3cccc(Cl)c3)C2)CCCC1 ZINC000558750446 327119117 /nfs/dbraw/zinc/11/91/17/327119117.db2.gz DVYNIDFPZNZIIB-INIZCTEOSA-N 0 1 297.801 3.516 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000569347680 327121016 /nfs/dbraw/zinc/12/10/16/327121016.db2.gz MFIQPPIXSMOJOB-VNQPRFMTSA-N 0 1 275.392 3.508 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000530992740 327121430 /nfs/dbraw/zinc/12/14/30/327121430.db2.gz ZWSAKVLRAYAQCH-LLVKDONJSA-N 0 1 276.767 3.837 20 0 CHADMN C[C@@H]1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000530992740 327121431 /nfs/dbraw/zinc/12/14/31/327121431.db2.gz ZWSAKVLRAYAQCH-LLVKDONJSA-N 0 1 276.767 3.837 20 0 CHADMN c1ccc(Oc2cccc(CN3CC4(C3)CCOC4)c2)cc1 ZINC000584247731 327126848 /nfs/dbraw/zinc/12/68/48/327126848.db2.gz HFFLJCHAUXIPSH-UHFFFAOYSA-N 0 1 295.382 3.701 20 0 CHADMN C[C@@H]1C[C@H](C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)CCO1 ZINC000558864046 327127745 /nfs/dbraw/zinc/12/77/45/327127745.db2.gz LRKAVNKYKDPXGX-CPUCHLNUSA-N 0 1 295.373 3.511 20 0 CHADMN Cc1cc2cc(C[N@H+]3CCC[C@@H](CO)CC3)oc2cc1C ZINC000573228360 327128414 /nfs/dbraw/zinc/12/84/14/327128414.db2.gz KLJDGCAIRAIBMO-OAHLLOKOSA-N 0 1 287.403 3.644 20 0 CHADMN C[C@@H](CN(C)Cc1cscn1)C1CCCCC1 ZINC000559048996 327139280 /nfs/dbraw/zinc/13/92/80/327139280.db2.gz AZLGFNZLUJMMGU-LBPRGKRZSA-N 0 1 252.427 3.791 20 0 CHADMN CCOc1ccc(CN2C[C@@H](C)S[C@@H](C)C2)cc1F ZINC000559111674 327142053 /nfs/dbraw/zinc/14/20/53/327142053.db2.gz HWCMYFXMAYUODB-TXEJJXNPSA-N 0 1 283.412 3.550 20 0 CHADMN COc1ccc(F)c(CNC(C)(C)c2cccs2)c1 ZINC000559272962 327153105 /nfs/dbraw/zinc/15/31/05/327153105.db2.gz IMROKWDYTWAYSA-UHFFFAOYSA-N 0 1 279.380 3.921 20 0 CHADMN O[C@H](CN[C@@H](c1ccco1)c1ccccc1)CC1CCCC1 ZINC000564651607 327153287 /nfs/dbraw/zinc/15/32/87/327153287.db2.gz QZGYEXPMHQLXHH-PKOBYXMFSA-N 0 1 299.414 3.900 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](C)[C@@H]1C)c1nc(C2CCCCC2)no1 ZINC000559303671 327157462 /nfs/dbraw/zinc/15/74/62/327157462.db2.gz IUKMHSXVJWBCTI-OWTLIXCDSA-N 0 1 277.412 3.812 20 0 CHADMN CC(C)SCC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000409444448 327161275 /nfs/dbraw/zinc/16/12/75/327161275.db2.gz PMVNHBDLIPMQOR-UHFFFAOYSA-N 0 1 263.859 3.975 20 0 CHADMN CC(C)SCCN(C)Cc1ccc(Cl)s1 ZINC000409444448 327161277 /nfs/dbraw/zinc/16/12/77/327161277.db2.gz PMVNHBDLIPMQOR-UHFFFAOYSA-N 0 1 263.859 3.975 20 0 CHADMN CCc1cnc(CN(C)C[C@@H](C)CC(C)C)s1 ZINC000410390081 327191225 /nfs/dbraw/zinc/19/12/25/327191225.db2.gz XKMUGRIRMYOJBU-LBPRGKRZSA-N 0 1 254.443 3.820 20 0 CHADMN COc1cccc([C@H]2CN(C[C@H](C)CC(C)C)CCO2)c1 ZINC000410416520 327193513 /nfs/dbraw/zinc/19/35/13/327193513.db2.gz ZFMYRXOZOPKBPC-CRAIPNDOSA-N 0 1 291.435 3.751 20 0 CHADMN CC(C)OCCCCNc1noc2ccc(Cl)cc21 ZINC000584264719 327204031 /nfs/dbraw/zinc/20/40/31/327204031.db2.gz OUBQPYOZAGQIPF-UHFFFAOYSA-N 0 1 282.771 3.520 20 0 CHADMN CCC1CCC(N[C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000236647821 327210248 /nfs/dbraw/zinc/21/02/48/327210248.db2.gz BPBJFGSWGBCVDA-PNESKVBLSA-N 0 1 279.428 3.987 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000569611708 327212336 /nfs/dbraw/zinc/21/23/36/327212336.db2.gz JLOTWNHTTLTLOO-RDJZCZTQSA-N 0 1 289.419 3.736 20 0 CHADMN Cc1cc(C(=O)CN(C)C[C@@H](C)c2ccccc2)c(C)n1C ZINC000531015964 327216166 /nfs/dbraw/zinc/21/61/66/327216166.db2.gz SOABGRQJXODIDH-CQSZACIVSA-N 0 1 298.430 3.560 20 0 CHADMN CCc1ncc(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)s1 ZINC000449458778 327221266 /nfs/dbraw/zinc/22/12/66/327221266.db2.gz JBIYBUMSKOPYGA-UWVGGRQHSA-N 0 1 292.370 3.868 20 0 CHADMN CCCCC[N@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000584303244 327231492 /nfs/dbraw/zinc/23/14/92/327231492.db2.gz KMLSSOXVESXRBD-LSDHHAIUSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2ncc(C3CC3)o2)CC1 ZINC000536367331 327232296 /nfs/dbraw/zinc/23/22/96/327232296.db2.gz ZYFJRPUOZUCBOE-ZDUSSCGKSA-N 0 1 262.397 3.810 20 0 CHADMN FC[C@H]1CCCN1[C@@H]1CCCc2ccc(F)cc21 ZINC000559409960 327243815 /nfs/dbraw/zinc/24/38/15/327243815.db2.gz JHXZMFAIQXNNBZ-UKRRQHHQSA-N 0 1 251.320 3.637 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@@H](CC3CC3)C2)n1 ZINC000559411718 327244163 /nfs/dbraw/zinc/24/41/63/327244163.db2.gz VZSCBQXVTBHONQ-JSGCOSHPSA-N 0 1 277.412 3.595 20 0 CHADMN Cc1c(F)cccc1NC(=O)c1ccc(O)c(Cl)c1 ZINC000043322338 327251592 /nfs/dbraw/zinc/25/15/92/327251592.db2.gz AQGRXDLOCMZXBI-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN Cc1ccccc1-c1nc(CNC[C@H](C)CC(C)C)no1 ZINC000559929923 327272246 /nfs/dbraw/zinc/27/22/46/327272246.db2.gz SPMMNJCOAKGQGW-CYBMUJFWSA-N 0 1 287.407 3.817 20 0 CHADMN CCO[C@@H]1CCN(Cc2ccc(Cl)s2)C[C@@H]1C ZINC000449493424 327280397 /nfs/dbraw/zinc/28/03/97/327280397.db2.gz LFUJYGGSEBKKJK-CMPLNLGQSA-N 0 1 273.829 3.648 20 0 CHADMN O=C([O-])c1cccc(C[N@@H+](Cc2cccs2)C2CC2)c1 ZINC000049024469 327281202 /nfs/dbraw/zinc/28/12/02/327281202.db2.gz JHQQVVDFDUHVJX-UHFFFAOYSA-N 0 1 287.384 3.611 20 0 CHADMN C[C@@H](CCc1ccccc1)N1CC(C(F)(F)F)C1 ZINC000560216648 327290839 /nfs/dbraw/zinc/29/08/39/327290839.db2.gz BERZKDNWHXBHRP-NSHDSACASA-N 0 1 257.299 3.502 20 0 CHADMN C[C@@H](N(C)Cc1nccn1-c1ccccc1)C(C)(C)C ZINC000574132347 327291451 /nfs/dbraw/zinc/29/14/51/327291451.db2.gz BIRFAAZOTFHJOB-CQSZACIVSA-N 0 1 271.408 3.739 20 0 CHADMN CCC1CC(N[C@H](CO)c2c(Cl)cccc2Cl)C1 ZINC000560234896 327291777 /nfs/dbraw/zinc/29/17/77/327291777.db2.gz AIXMDQNZGBUWDU-SRHKJQAYSA-N 0 1 288.218 3.805 20 0 CHADMN CCc1ccc(CNc2nccn2CC(C)C)s1 ZINC000560459841 327309957 /nfs/dbraw/zinc/30/99/57/327309957.db2.gz VVZSHUIIZHFJIQ-UHFFFAOYSA-N 0 1 263.410 3.775 20 0 CHADMN C[C@H](NC[C@@H]1CCC2(CCCC2)O1)c1c(F)cncc1F ZINC000560506339 327316538 /nfs/dbraw/zinc/31/65/38/327316538.db2.gz LMYITUPNUYQDHE-RYUDHWBXSA-N 0 1 296.361 3.502 20 0 CHADMN CC[C@H]1C[C@H](CN(C)Cc2c(F)cccc2F)CCO1 ZINC000560604849 327329748 /nfs/dbraw/zinc/32/97/48/327329748.db2.gz VYJATFHMOOLQEP-OLZOCXBDSA-N 0 1 283.362 3.602 20 0 CHADMN CCC[N@@H+](CC)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000566357805 327333848 /nfs/dbraw/zinc/33/38/48/327333848.db2.gz MPOIOFMKNMITOZ-LBPRGKRZSA-N 0 1 290.190 3.851 20 0 CHADMN C[C@H](N[C@@H]1CC[C@H]1C1CC1)c1noc(-c2ccccc2)n1 ZINC000566360233 327336676 /nfs/dbraw/zinc/33/66/76/327336676.db2.gz VKERILRSAFPTMH-TUKIKUTGSA-N 0 1 283.375 3.576 20 0 CHADMN Cc1cc(Br)ccc1CN1CCCCC1 ZINC000258207128 327337954 /nfs/dbraw/zinc/33/79/54/327337954.db2.gz VYVFCNLUGZCCQM-UHFFFAOYSA-N 0 1 268.198 3.743 20 0 CHADMN CCC1(C)CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000507211707 332796638 /nfs/dbraw/zinc/79/66/38/332796638.db2.gz UOIPDBFPKCYTCS-UHFFFAOYSA-N 0 1 285.391 3.749 20 0 CHADMN C[C@@H](CN1CCC[C@@H]1CF)c1cccc(Cl)c1 ZINC000561063783 327362671 /nfs/dbraw/zinc/36/26/71/327362671.db2.gz UCLBXYZDPSRUOY-SMDDNHRTSA-N 0 1 255.764 3.877 20 0 CHADMN Clc1ccc([C@H]2CCCCN2Cc2cnc[nH]2)cc1 ZINC000449571426 327375674 /nfs/dbraw/zinc/37/56/74/327375674.db2.gz LEQGCUXWBBZGFT-OAHLLOKOSA-N 0 1 275.783 3.790 20 0 CHADMN CC(C)[C@H](NCc1cccn1C)c1ccc(F)cc1F ZINC000150880078 327394352 /nfs/dbraw/zinc/39/43/52/327394352.db2.gz WIOLOEOQZGTRKE-INIZCTEOSA-N 0 1 278.346 3.790 20 0 CHADMN CSc1ccccc1Cn1c(C)nc2c1CCCC2 ZINC000566497892 327400257 /nfs/dbraw/zinc/40/02/57/327400257.db2.gz NWYMZVBHAUSNAO-UHFFFAOYSA-N 0 1 272.417 3.841 20 0 CHADMN C[C@@H]1CC[C@@H](CC(=O)Nc2cc(Cl)c(O)cc2F)C1 ZINC000561681245 327410348 /nfs/dbraw/zinc/41/03/48/327410348.db2.gz YPYJHWQLVFLQDD-RKDXNWHRSA-N 0 1 285.746 3.950 20 0 CHADMN CC[C@@H](C)[C@H](CNCc1csc(C(C)(C)C)n1)OC ZINC000381280246 327414540 /nfs/dbraw/zinc/41/45/40/327414540.db2.gz KSVGAGQONGKBRM-YPMHNXCESA-N 0 1 284.469 3.591 20 0 CHADMN Cc1nn(C)cc1CN[C@H]1CCCc2sc(Cl)cc21 ZINC000168675836 327478098 /nfs/dbraw/zinc/47/80/98/327478098.db2.gz FXLGWFVZMVQNCH-LBPRGKRZSA-N 0 1 295.839 3.611 20 0 CHADMN CC(C)[C@@H](C)N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000368356867 327532783 /nfs/dbraw/zinc/53/27/83/327532783.db2.gz FWTDRHXFLLUXOJ-WBMJQRKESA-N 0 1 291.826 3.797 20 0 CHADMN O=C(Nc1cnc2ccccc2c1)c1ccc(O)c(Cl)c1 ZINC000041868291 328715324 /nfs/dbraw/zinc/71/53/24/328715324.db2.gz USFZNBDHCJBXTA-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN C[C@H](N[C@@H](C)c1ccncn1)c1cccc(Cl)c1 ZINC000395829667 328761210 /nfs/dbraw/zinc/76/12/10/328761210.db2.gz UJKIRMMJMBPSGV-QWRGUYRKSA-N 0 1 261.756 3.542 20 0 CHADMN CCc1cc(CN[C@@H](C)c2cccc(C)c2C)on1 ZINC000532516967 328786204 /nfs/dbraw/zinc/78/62/04/328786204.db2.gz YHKJNHOXNUDADK-ZDUSSCGKSA-N 0 1 258.365 3.705 20 0 CHADMN CC(C)(C)[C@@H](NCc1ccno1)c1ccc(F)cc1 ZINC000532657302 328803299 /nfs/dbraw/zinc/80/32/99/328803299.db2.gz RJAVIYCDTMBODF-AWEZNQCLSA-N 0 1 262.328 3.691 20 0 CHADMN Cc1cccc(NC[C@@H](C)c2ccc(F)cc2F)n1 ZINC000302229635 328831760 /nfs/dbraw/zinc/83/17/60/328831760.db2.gz BDFKHWZVRMFGBX-SNVBAGLBSA-N 0 1 262.303 3.884 20 0 CHADMN C[C@H](NCCc1ccc2ccccc2n1)c1nccs1 ZINC000357787644 328875961 /nfs/dbraw/zinc/87/59/61/328875961.db2.gz AMZHVWWAENIVPJ-LBPRGKRZSA-N 0 1 283.400 3.585 20 0 CHADMN Cc1cc(F)ccc1CNCc1ccc2ccccc2n1 ZINC000507929877 332829963 /nfs/dbraw/zinc/82/99/63/332829963.db2.gz JULSXQOOUYYJEY-UHFFFAOYSA-N 0 1 280.346 3.972 20 0 CHADMN C[C@@H](NCc1cncc(C(F)(F)F)c1)c1cccc(O)c1 ZINC000361357214 328920173 /nfs/dbraw/zinc/92/01/73/328920173.db2.gz WJMDKOUXQUJCQQ-SNVBAGLBSA-N 0 1 296.292 3.657 20 0 CHADMN C[C@H](O)c1ncc(CN2CCC(C3CCCC3)CC2)s1 ZINC000377543481 329018521 /nfs/dbraw/zinc/01/85/21/329018521.db2.gz QYIJUQCNODRDMP-LBPRGKRZSA-N 0 1 294.464 3.599 20 0 CHADMN Cc1ccccc1C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000378528230 329054136 /nfs/dbraw/zinc/05/41/36/329054136.db2.gz ZTBNMSOYVJONPC-UHFFFAOYSA-N 0 1 292.382 3.725 20 0 CHADMN O=C(Nc1cccc2c1CN(C1CC1)C2)c1cccc(F)c1 ZINC000378526441 329054186 /nfs/dbraw/zinc/05/41/86/329054186.db2.gz NQLOWKXMZAZJCV-UHFFFAOYSA-N 0 1 296.345 3.556 20 0 CHADMN COC1(CNc2nccn2Cc2ccccc2)CCCCC1 ZINC000508456086 332838768 /nfs/dbraw/zinc/83/87/68/332838768.db2.gz BVRYILIPEWFWME-UHFFFAOYSA-N 0 1 299.418 3.693 20 0 CHADMN C=Cn1cc(CN2C[C@H](C)C[C@H]2c2ccccc2F)cn1 ZINC000193982786 329064660 /nfs/dbraw/zinc/06/46/60/329064660.db2.gz WMQUPXVTAUHTST-DYVFJYSZSA-N 0 1 285.366 3.706 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1nc(C(C)C)no1)C1CC1 ZINC000170931123 329072411 /nfs/dbraw/zinc/07/24/11/329072411.db2.gz LJSCGHFFMSKIGS-RYUDHWBXSA-N 0 1 265.401 3.592 20 0 CHADMN CC(C)N(Cc1nnc(-c2cccc(Cl)c2)o1)C1CC1 ZINC000170953257 329072564 /nfs/dbraw/zinc/07/25/64/329072564.db2.gz ACZWUIWOSUBXOL-UHFFFAOYSA-N 0 1 291.782 3.763 20 0 CHADMN CN(Cc1nnc(-c2cccc(Cl)c2)o1)C1CCCC1 ZINC000170953228 329072602 /nfs/dbraw/zinc/07/26/02/329072602.db2.gz QUUAQYLCAPEGQX-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN c1nc(CN2CCCC3(CCCCC3)C2)cs1 ZINC000171978716 329082935 /nfs/dbraw/zinc/08/29/35/329082935.db2.gz SFTHIOICLWJRLW-UHFFFAOYSA-N 0 1 250.411 3.689 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000582496230 329101109 /nfs/dbraw/zinc/10/11/09/329101109.db2.gz AMQQVCFGBAHHNZ-HIFRSBDPSA-N 0 1 299.418 3.984 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccc(C2CCC2)cc1 ZINC000582730890 329132440 /nfs/dbraw/zinc/13/24/40/329132440.db2.gz WYCIRULWNXVFDY-UHFFFAOYSA-N 0 1 289.419 3.887 20 0 CHADMN CC(C)c1nc(CN2CCC[C@@H](C)[C@H]2C)cs1 ZINC000172865441 329139476 /nfs/dbraw/zinc/13/94/76/329139476.db2.gz IWHZYBBUVOFTQM-VXGBXAGGSA-N 0 1 252.427 3.887 20 0 CHADMN Cc1ccc(F)c(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000582757213 329147534 /nfs/dbraw/zinc/14/75/34/329147534.db2.gz BZTRZCRBHTVOGS-HOTGVXAUSA-N 0 1 277.383 3.524 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1cc(-c2ccco2)on1 ZINC000174026837 329157230 /nfs/dbraw/zinc/15/72/30/329157230.db2.gz FODFPDYIARKKIM-LBPRGKRZSA-N 0 1 294.420 3.898 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(SC)c(OC)c2)CCS1 ZINC000174357264 329157983 /nfs/dbraw/zinc/15/79/83/329157983.db2.gz CRXJPESUFJXIOL-CYBMUJFWSA-N 0 1 297.489 3.745 20 0 CHADMN Cc1noc(C)c1CN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000174506609 329159432 /nfs/dbraw/zinc/15/94/32/329159432.db2.gz JPZNPUDRCSWOEY-IAQYHMDHSA-N 0 1 274.364 3.858 20 0 CHADMN C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccncc1Cl ZINC000174816873 329161803 /nfs/dbraw/zinc/16/18/03/329161803.db2.gz DKDAHQLYQWKROD-FZMZJTMJSA-N 0 1 252.789 3.746 20 0 CHADMN CO[C@H](C)c1nc(CN2CCCC[C@H]2C(C)C)cs1 ZINC000175242023 329166906 /nfs/dbraw/zinc/16/69/06/329166906.db2.gz IKZUNOMJRBFXIC-OCCSQVGLSA-N 0 1 282.453 3.861 20 0 CHADMN CO[C@H](C)c1noc(CN2CCCCC[C@H]2CC(C)C)n1 ZINC000175257803 329167077 /nfs/dbraw/zinc/16/70/77/329167077.db2.gz DYFXHPXKIQAZLT-KGLIPLIRSA-N 0 1 295.427 3.568 20 0 CHADMN Cc1cc(OCc2nc(C3CC3)cs2)cc(C)n1 ZINC000547814804 329171841 /nfs/dbraw/zinc/17/18/41/329171841.db2.gz AUMMMFJLOIFAGW-UHFFFAOYSA-N 0 1 260.362 3.611 20 0 CHADMN C[C@H](N[C@@H](c1nccs1)c1ccccc1)C1CC1 ZINC000177270375 329182737 /nfs/dbraw/zinc/18/27/37/329182737.db2.gz CAJLBZBXSCRGPR-SMDDNHRTSA-N 0 1 258.390 3.621 20 0 CHADMN CC(C)N(C)C(=O)[C@H](C)N(C)Cc1cccc2ccccc21 ZINC000177656665 329188747 /nfs/dbraw/zinc/18/87/47/329188747.db2.gz OPDFBAFCBSVABN-HNNXBMFYSA-N 0 1 298.430 3.527 20 0 CHADMN Cc1cc(NCc2ccoc2)c2cc(F)ccc2n1 ZINC000178184964 329194280 /nfs/dbraw/zinc/19/42/80/329194280.db2.gz CFIAVZRKDJUEFD-UHFFFAOYSA-N 0 1 256.280 3.887 20 0 CHADMN C[C@H](NCc1ccc(N2CCCCCC2)nc1)c1ccoc1 ZINC000178137439 329196571 /nfs/dbraw/zinc/19/65/71/329196571.db2.gz SOEAUKHBGYERLF-HNNXBMFYSA-N 0 1 299.418 3.906 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(-n2cccn2)cc1)c1ccco1 ZINC000178368983 329199270 /nfs/dbraw/zinc/19/92/70/329199270.db2.gz YHVZXLBAAMPJOY-ZIAGYGMSSA-N 0 1 281.359 3.877 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cn(C)nc1C)c1cc(F)ccc1F ZINC000178717080 329200054 /nfs/dbraw/zinc/20/00/54/329200054.db2.gz OUVFUYSFNJZJSL-MGPLVRAMSA-N 0 1 293.361 3.809 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)Cc1n[nH]c(C2CC2)n1 ZINC000180410773 329216229 /nfs/dbraw/zinc/21/62/29/329216229.db2.gz GPUIWDXFYAFJBE-JTQLQIEISA-N 0 1 290.798 3.529 20 0 CHADMN CCS[C@@H]1CC[C@H](N(C)Cc2ncc(C)s2)C1 ZINC000180523504 329220210 /nfs/dbraw/zinc/22/02/10/329220210.db2.gz IJLLSQVJLUVHAE-NWDGAFQWSA-N 0 1 270.467 3.558 20 0 CHADMN CN(Cc1nnc(C2CC2)n1C1CC1)C1CCCCCC1 ZINC000181046025 329225432 /nfs/dbraw/zinc/22/54/32/329225432.db2.gz BAYDGINAEGYVSG-UHFFFAOYSA-N 0 1 288.439 3.645 20 0 CHADMN C[C@H](N[C@@H]1CCCOc2c(F)cccc21)c1ccoc1 ZINC000181322021 329231663 /nfs/dbraw/zinc/23/16/63/329231663.db2.gz HFBKYBAANHWMPV-XHDPSFHLSA-N 0 1 275.323 3.983 20 0 CHADMN CC(=O)Nc1ccc([C@H](C)NCc2ccccc2F)cc1 ZINC000181914195 329238227 /nfs/dbraw/zinc/23/82/27/329238227.db2.gz DHAZLSIZOJGESU-LBPRGKRZSA-N 0 1 286.350 3.635 20 0 CHADMN CO[C@@H](C)CN1Cc2ccccc2-c2ccccc2C1 ZINC000182115412 329239805 /nfs/dbraw/zinc/23/98/05/329239805.db2.gz QYBMRGXUMNSKPV-AWEZNQCLSA-N 0 1 267.372 3.704 20 0 CHADMN Clc1ccc2c(c1)OCCC[C@H]2NCc1cccnc1 ZINC000182186331 329240617 /nfs/dbraw/zinc/24/06/17/329240617.db2.gz RFDHGHPUYJMJTM-OAHLLOKOSA-N 0 1 288.778 3.739 20 0 CHADMN Cc1nc(CN2CC[C@H](c3cc(C)cc(C)c3)C2)oc1C ZINC000183481708 329247841 /nfs/dbraw/zinc/24/78/41/329247841.db2.gz CWMFNLOAUJQQPK-INIZCTEOSA-N 0 1 284.403 3.898 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@@H](c3cc(C)cc(C)c3)C2)o1 ZINC000183478251 329247949 /nfs/dbraw/zinc/24/79/49/329247949.db2.gz NKJQEUOZXRDNAP-DZGCQCFKSA-N 0 1 285.391 3.545 20 0 CHADMN CCCCOc1ccc(CN(C)Cc2cccnc2)cc1 ZINC000183661573 329251495 /nfs/dbraw/zinc/25/14/95/329251495.db2.gz AEURWLPHTYBABX-UHFFFAOYSA-N 0 1 284.403 3.893 20 0 CHADMN CCCC[C@H]1CCC[C@@H]1NCc1nc([C@@H](C)OCC)no1 ZINC000184706157 329262410 /nfs/dbraw/zinc/26/24/10/329262410.db2.gz NWLMFEKTFPZABM-RDBSUJKOSA-N 0 1 295.427 3.616 20 0 CHADMN CC(C)O[C@H]1C[C@@H](NCc2nc(C3CC3)cs2)C1(C)C ZINC000185245699 329269473 /nfs/dbraw/zinc/26/94/73/329269473.db2.gz YCRHRYROVQGLGT-KGLIPLIRSA-N 0 1 294.464 3.702 20 0 CHADMN C[C@H](c1ccsc1)N1CCN([C@H]2C=CCCC2)CC1 ZINC000185447526 329273781 /nfs/dbraw/zinc/27/37/81/329273781.db2.gz DMVJCKKWFYBHOA-ZBFHGGJFSA-N 0 1 276.449 3.535 20 0 CHADMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1ccc(C(=O)[O-])s1)C1CC1 ZINC000582909876 329286848 /nfs/dbraw/zinc/28/68/48/329286848.db2.gz YUGJRGDLLVATGA-MNOVXSKESA-N 0 1 281.421 3.845 20 0 CHADMN Cc1nc2scc(C3CC3)n2c1CNC1(CF)CCC1 ZINC000583083840 329312108 /nfs/dbraw/zinc/31/21/08/329312108.db2.gz JFQFZTSDHDRZQR-UHFFFAOYSA-N 0 1 293.411 3.563 20 0 CHADMN CCO[C@H](C)c1nc(CN2CC[C@@H](C)[C@H]2CC)cs1 ZINC000185663331 329328638 /nfs/dbraw/zinc/32/86/38/329328638.db2.gz LPGPVSKCEWIPIH-YRGRVCCFSA-N 0 1 282.453 3.861 20 0 CHADMN Cc1cc(CN[C@H]2C[C@H](c3ccccc3Cl)C2)no1 ZINC000459558441 329329068 /nfs/dbraw/zinc/32/90/68/329329068.db2.gz ADCBPHDLEXHGAO-HAQNSBGRSA-N 0 1 276.767 3.672 20 0 CHADMN C[C@@H](c1ccccn1)N1Cc2ccccc2C2(CC2)C1 ZINC000186195521 329339318 /nfs/dbraw/zinc/33/93/18/329339318.db2.gz WCCLWMYXNSINEG-AWEZNQCLSA-N 0 1 264.372 3.690 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)c2cccc(Cl)c2Cl)n[nH]1 ZINC000392462008 329340683 /nfs/dbraw/zinc/34/06/83/329340683.db2.gz NQJPOERALKBNBH-YUMQZZPRSA-N 0 1 299.205 3.832 20 0 CHADMN Cc1cccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186433075 329342456 /nfs/dbraw/zinc/34/24/56/329342456.db2.gz OVZXWNKYXSIANJ-IBGZPJMESA-N 0 1 279.383 3.626 20 0 CHADMN COc1ccc2nc(CN3CCCC[C@H]3C)sc2c1 ZINC000186562209 329345429 /nfs/dbraw/zinc/34/54/29/329345429.db2.gz MBMKNUVBIVJPJS-LLVKDONJSA-N 0 1 276.405 3.679 20 0 CHADMN C[C@@H](CCC1CC1)NCc1cc(COC(C)(C)C)on1 ZINC000186815500 329349186 /nfs/dbraw/zinc/34/91/86/329349186.db2.gz WQHUPBBCXLUGBF-LBPRGKRZSA-N 0 1 280.412 3.658 20 0 CHADMN CCCN(Cc1nc2ccc(OC)cc2s1)C1CC1 ZINC000186953842 329352235 /nfs/dbraw/zinc/35/22/35/329352235.db2.gz CAIFYKDBNHVQEM-UHFFFAOYSA-N 0 1 276.405 3.679 20 0 CHADMN CCN(Cc1ccc(C)nc1C)[C@H](C)c1cccc(O)c1 ZINC000187126906 329353539 /nfs/dbraw/zinc/35/35/39/329353539.db2.gz LXMFZYHVIPAKOT-OAHLLOKOSA-N 0 1 284.403 3.987 20 0 CHADMN Cc1ncccc1CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000187594447 329359385 /nfs/dbraw/zinc/35/93/85/329359385.db2.gz VCLIPPBOHQCMKX-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2occc2C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000583209905 329365702 /nfs/dbraw/zinc/36/57/02/329365702.db2.gz XJVKUTXBAUMISJ-UKRRQHHQSA-N 0 1 299.370 3.603 20 0 CHADMN CC(C)Oc1ccc(NC(=O)c2cn[nH]c2C(C)C)cc1 ZINC000189144477 329376330 /nfs/dbraw/zinc/37/63/30/329376330.db2.gz MHIHNYBMUBEROK-UHFFFAOYSA-N 0 1 287.363 3.573 20 0 CHADMN Cc1nc([C@H]2CCCN2CCc2ccccc2F)cs1 ZINC000189920655 329390310 /nfs/dbraw/zinc/39/03/10/329390310.db2.gz VZEJKXBYUNGGOM-MRXNPFEDSA-N 0 1 290.407 3.970 20 0 CHADMN Brc1cccc(CN2CC(C3CCC3)C2)c1 ZINC000583719952 329454461 /nfs/dbraw/zinc/45/44/61/329454461.db2.gz KNYGYSYPTOVDRP-UHFFFAOYSA-N 0 1 280.209 3.681 20 0 CHADMN Clc1cccc([C@H]2CC[C@H](NCc3ncccn3)C2)c1 ZINC000584481406 329500350 /nfs/dbraw/zinc/50/03/50/329500350.db2.gz NEPPSBLASOBOTC-ZFWWWQNUSA-N 0 1 287.794 3.556 20 0 CHADMN CC[C@@H](NC/C=C\c1ccccc1)c1nccs1 ZINC000211433199 329542934 /nfs/dbraw/zinc/54/29/34/329542934.db2.gz CTFHGPSNNUASLX-DEBLGDTFSA-N 0 1 258.390 3.897 20 0 CHADMN CCCC[C@@H](COC)NCc1nc(C(C)C)cs1 ZINC000128635496 329610329 /nfs/dbraw/zinc/61/03/29/329610329.db2.gz WVNXVEJCYVTHOH-LBPRGKRZSA-N 0 1 270.442 3.561 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccccc1)CO2 ZINC000130727917 329627697 /nfs/dbraw/zinc/62/76/97/329627697.db2.gz JKFQZGZEPRZDRA-XJKSGUPXSA-N 0 1 253.345 3.779 20 0 CHADMN CCCc1nc(CN[C@@H]2CC(C)(C)OC2(C)C)cs1 ZINC000132644968 329648062 /nfs/dbraw/zinc/64/80/62/329648062.db2.gz MECWRXACASYLPL-GFCCVEGCSA-N 0 1 282.453 3.531 20 0 CHADMN C[C@H](NCCO[C@@H]1CCCC[C@H]1C)c1ccco1 ZINC000053553413 329666262 /nfs/dbraw/zinc/66/62/62/329666262.db2.gz MUBRMJVUWIZKHE-HZSPNIEDSA-N 0 1 251.370 3.526 20 0 CHADMN Cn1cncc1CNCc1ccccc1Oc1ccccc1 ZINC000237935423 329695138 /nfs/dbraw/zinc/69/51/38/329695138.db2.gz YWAIZGVVJRSWBK-UHFFFAOYSA-N 0 1 293.370 3.502 20 0 CHADMN CC[C@H](NC[C@@H](CC(C)C)OC)c1nc(C)cs1 ZINC000419241776 329714023 /nfs/dbraw/zinc/71/40/23/329714023.db2.gz HHNUEKRVBDPIKB-OLZOCXBDSA-N 0 1 270.442 3.553 20 0 CHADMN CC[C@@H](NCc1nc(C2CCCC2)no1)[C@H]1CC1(C)C ZINC000419315029 329716131 /nfs/dbraw/zinc/71/61/31/329716131.db2.gz JBXZEEZFCCCKLT-CHWSQXEVSA-N 0 1 277.412 3.642 20 0 CHADMN Cc1c(Cl)c(CNCCC2=CCCCCC2)nn1C ZINC000421346087 329814755 /nfs/dbraw/zinc/81/47/55/329814755.db2.gz SEZOTXVPQZLQJV-UHFFFAOYSA-N 0 1 281.831 3.752 20 0 CHADMN Cc1cc(CNCc2cnc(C(C)(C)C)s2)cc(C)n1 ZINC000421377424 329817099 /nfs/dbraw/zinc/81/70/99/329817099.db2.gz JREYMNGRCXSLKO-UHFFFAOYSA-N 0 1 289.448 3.742 20 0 CHADMN FC(F)C[C@H](NCc1cncs1)c1ccccc1 ZINC000421379229 329817460 /nfs/dbraw/zinc/81/74/60/329817460.db2.gz WURZNRULEGFXGQ-LBPRGKRZSA-N 0 1 268.332 3.629 20 0 CHADMN Cc1cc(CNCc2cnc(C3CCC3)s2)cc(C)n1 ZINC000421372377 329824733 /nfs/dbraw/zinc/82/47/33/329824733.db2.gz FWZNWWWYBVJGFI-UHFFFAOYSA-N 0 1 287.432 3.712 20 0 CHADMN Cc1ncsc1CN[C@H]1CCSc2ccccc21 ZINC000071212383 329856398 /nfs/dbraw/zinc/85/63/98/329856398.db2.gz GUKFINUTMWFHEN-LBPRGKRZSA-N 0 1 276.430 3.778 20 0 CHADMN C/C(=C/c1ccccc1)CN[C@H](C)c1ccncc1F ZINC000509949624 332886555 /nfs/dbraw/zinc/88/65/55/332886555.db2.gz UMPHNGGAVFZKQH-QLKUMGTLSA-N 0 1 270.351 3.975 20 0 CHADMN Cn1cc(Cl)c(CNC2CCC3(CCCC3)CC2)n1 ZINC000393329720 329940386 /nfs/dbraw/zinc/94/03/86/329940386.db2.gz DIHHGOBJHORDMT-UHFFFAOYSA-N 0 1 281.831 3.666 20 0 CHADMN Cc1c(-c2nc(C3(N)CCC3)no2)oc2c1c(C)ccc2C ZINC000261699530 329978435 /nfs/dbraw/zinc/97/84/35/329978435.db2.gz HYNCOSHYGYUZPQ-UHFFFAOYSA-N 0 1 297.358 3.746 20 0 CHADMN C[C@@H](c1cc2ccccc2o1)c1nc(C2(N)CCCC2)no1 ZINC000261795969 329984170 /nfs/dbraw/zinc/98/41/70/329984170.db2.gz OVQHPBBZLWLVBH-NSHDSACASA-N 0 1 297.358 3.696 20 0 CHADMN C[C@@H](NCCc1ccc(Cl)cc1)c1cscn1 ZINC000162301811 329991332 /nfs/dbraw/zinc/99/13/32/329991332.db2.gz ATUPFTKRFRBWEG-SNVBAGLBSA-N 0 1 266.797 3.690 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000262957441 330037778 /nfs/dbraw/zinc/03/77/78/330037778.db2.gz BODDGXHFTLAMCS-MRXNPFEDSA-N 0 1 275.392 3.785 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000263300019 330052047 /nfs/dbraw/zinc/05/20/47/330052047.db2.gz GKWREIHENNELAB-YCPHGPKFSA-N 0 1 281.440 3.778 20 0 CHADMN O=C([O-])[C@H]1CCCC[N@H+]1Cc1ccc(C2CCCC2)cc1 ZINC000263379554 330053371 /nfs/dbraw/zinc/05/33/71/330053371.db2.gz BHQBADPHMPZWMO-QGZVFWFLSA-N 0 1 287.403 3.783 20 0 CHADMN Cc1cc(C)cc(-c2ccc(C[N@@H+](C)CCC(=O)[O-])cc2)c1 ZINC000263436608 330055625 /nfs/dbraw/zinc/05/56/25/330055625.db2.gz UVRIBNXKHCQNBG-UHFFFAOYSA-N 0 1 297.398 3.877 20 0 CHADMN Cc1c(C[N@H+](C)[C@@H](C)C(=O)[O-])sc2c1cccc2Cl ZINC000263443130 330056079 /nfs/dbraw/zinc/05/60/79/330056079.db2.gz XCKUUZPWAUECLZ-VIFPVBQESA-N 0 1 297.807 3.768 20 0 CHADMN C[N@@H+](Cc1cccc(C(=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000263458444 330056759 /nfs/dbraw/zinc/05/67/59/330056759.db2.gz IBVOLTZWXQYBTP-QGZVFWFLSA-N 0 1 281.355 3.504 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])cc2)o1 ZINC000263462627 330056871 /nfs/dbraw/zinc/05/68/71/330056871.db2.gz JFCRKBWZSCKDCQ-OAHLLOKOSA-N 0 1 285.343 3.623 20 0 CHADMN COc1ccc([C@@H](C)[N@@H+](C)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000263459359 330057004 /nfs/dbraw/zinc/05/70/04/330057004.db2.gz IIAIEOYLLCDQMF-CYBMUJFWSA-N 0 1 299.370 3.586 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000263476027 330057231 /nfs/dbraw/zinc/05/72/31/330057231.db2.gz MQQCKFYNBVYLLU-INIZCTEOSA-N 0 1 299.345 3.513 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263484001 330057352 /nfs/dbraw/zinc/05/73/52/330057352.db2.gz OUWAHFKGUWQCEP-XNRPHZJLSA-N 0 1 273.376 3.538 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CC1 ZINC000263484546 330057494 /nfs/dbraw/zinc/05/74/94/330057494.db2.gz OZZFCYPNLOBODL-GFCCVEGCSA-N 0 1 285.343 3.703 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000263490627 330057593 /nfs/dbraw/zinc/05/75/93/330057593.db2.gz ILBXARWLMOXZGW-JCECYMMASA-N 0 1 299.414 3.508 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1cc(-c2ccccc2)cs1)C(=O)[O-] ZINC000263493374 330057987 /nfs/dbraw/zinc/05/79/87/330057987.db2.gz JBHRSUAXXPKIAK-LBPRGKRZSA-N 0 1 289.400 3.568 20 0 CHADMN CC(C)C[C@@H](C[N@H+]1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000263512268 330058389 /nfs/dbraw/zinc/05/83/89/330058389.db2.gz NSOSREAHESFUPB-FUHWJXTLSA-N 0 1 289.419 3.613 20 0 CHADMN CCN(CC)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000079872053 330063139 /nfs/dbraw/zinc/06/31/39/330063139.db2.gz AMOFDTMFUHFLSC-LLVKDONJSA-N 0 1 277.343 3.587 20 0 CHADMN CCN(CC)[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000079872051 330063218 /nfs/dbraw/zinc/06/32/18/330063218.db2.gz AMOFDTMFUHFLSC-NSHDSACASA-N 0 1 277.343 3.587 20 0 CHADMN Cc1ccccc1[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000572413743 330065049 /nfs/dbraw/zinc/06/50/49/330065049.db2.gz RAHLIKSGAYDNHD-FUHWJXTLSA-N 0 1 295.382 3.610 20 0 CHADMN COc1ccc([C@H](NCc2cccnc2)C(C)C)c(F)c1 ZINC000421804021 330080975 /nfs/dbraw/zinc/08/09/75/330080975.db2.gz SMAOPOHYGJBDLM-QGZVFWFLSA-N 0 1 288.366 3.716 20 0 CHADMN CO[C@H](CN[C@H](C)c1ccncc1Cl)c1ccccc1 ZINC000421820480 330086718 /nfs/dbraw/zinc/08/67/18/330086718.db2.gz MMUFDDCSAHWCSS-MLGOLLRUSA-N 0 1 290.794 3.773 20 0 CHADMN C[C@H](NCCO[C@@H]1CCCC[C@@H]1C)c1ccncc1Cl ZINC000421821890 330086836 /nfs/dbraw/zinc/08/68/36/330086836.db2.gz UREGBJCVGQGBGT-HEHGZKQESA-N 0 1 296.842 3.981 20 0 CHADMN COc1cc(Cl)ccc1[C@@H](C)NCc1ccn(C)c1 ZINC000421838809 330092424 /nfs/dbraw/zinc/09/24/24/330092424.db2.gz VQXVQNRGQOVLPP-LLVKDONJSA-N 0 1 278.783 3.538 20 0 CHADMN C[C@H](CN[C@@H](C)c1ccncc1Cl)C(F)(F)F ZINC000421842189 330093944 /nfs/dbraw/zinc/09/39/44/330093944.db2.gz MZWWQIKYGSKQRP-SFYZADRCSA-N 0 1 266.694 3.584 20 0 CHADMN C[C@H](CC(=O)OC(C)(C)C)N[C@@H](C)c1ccncc1Cl ZINC000421843091 330094128 /nfs/dbraw/zinc/09/41/28/330094128.db2.gz MGPVRFOKELRYSY-MNOVXSKESA-N 0 1 298.814 3.506 20 0 CHADMN C[C@H](Cc1ccc(F)cc1Cl)N[C@@H](C)c1csnn1 ZINC000421849650 330096164 /nfs/dbraw/zinc/09/61/64/330096164.db2.gz CHIXSQYXYLVFBZ-BDAKNGLRSA-N 0 1 299.802 3.612 20 0 CHADMN CCn1cc([C@@H](C)N[C@H](CC(F)F)c2ccccc2)cn1 ZINC000421887894 330096495 /nfs/dbraw/zinc/09/64/95/330096495.db2.gz WEMJMGULGHXQOV-IUODEOHRSA-N 0 1 293.361 3.950 20 0 CHADMN COc1ccc([C@H](N[C@@H]2CCC[C@@H]2F)C2CC2)c(F)c1 ZINC000421862771 330098314 /nfs/dbraw/zinc/09/83/14/330098314.db2.gz WQMJFFVZGFOMTA-NUEKZKHPSA-N 0 1 281.346 3.766 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc(F)cc(F)c2)cc(C)n1 ZINC000421870582 330100150 /nfs/dbraw/zinc/10/01/50/330100150.db2.gz FPYWGMDMTYNICD-GFCCVEGCSA-N 0 1 276.330 3.827 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1cnccc1C ZINC000162682219 330109287 /nfs/dbraw/zinc/10/92/87/330109287.db2.gz OKZLQOYJWSZFOI-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN CC[C@@H]1CCCN(Cc2nc3ccc(F)cc3o2)C1 ZINC000162794050 330115897 /nfs/dbraw/zinc/11/58/97/330115897.db2.gz XMRYRLDVSTYEKB-LLVKDONJSA-N 0 1 262.328 3.589 20 0 CHADMN C[C@@H](N[C@H]1CC(C)(C)Oc2ccc(N)cc21)c1cccnc1 ZINC000423441691 330201775 /nfs/dbraw/zinc/20/17/75/330201775.db2.gz PNRVRGAHIIGBGY-WBMJQRKESA-N 0 1 297.402 3.617 20 0 CHADMN Cc1cc(N)cc(CN[C@@H](C)c2cccc(F)c2F)c1 ZINC000423487756 330206814 /nfs/dbraw/zinc/20/68/14/330206814.db2.gz XTHUKTDNONFBNH-NSHDSACASA-N 0 1 276.330 3.706 20 0 CHADMN Fc1cccc(CNCc2cccc3cc[nH]c32)c1F ZINC000527211465 330237220 /nfs/dbraw/zinc/23/72/20/330237220.db2.gz QOZMUBOALIKBPT-UHFFFAOYSA-N 0 1 272.298 3.736 20 0 CHADMN CCOc1ccc(C(C)=O)cc1C[N@@H+](C)[C@H](C)C1CCC1 ZINC000325764068 330238994 /nfs/dbraw/zinc/23/89/94/330238994.db2.gz HGPWLZIBPFETLF-CYBMUJFWSA-N 0 1 289.419 3.908 20 0 CHADMN CCOC(=O)CCN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000036667602 330257493 /nfs/dbraw/zinc/25/74/93/330257493.db2.gz DZZRZRZEYYRHJY-VIFPVBQESA-N 0 1 290.190 3.597 20 0 CHADMN Cc1nc2c(s1)[C@@H](N(C)Cc1ccnc(C)c1)CCC2 ZINC000527538801 330260464 /nfs/dbraw/zinc/26/04/64/330260464.db2.gz MTQWEWLXYRVMAC-HNNXBMFYSA-N 0 1 287.432 3.664 20 0 CHADMN Cc1nc(C)c([C@@H](C)N(C)Cc2ccnc(C)c2)s1 ZINC000527534612 330262846 /nfs/dbraw/zinc/26/28/46/330262846.db2.gz NJGMGKKZJIZDRP-GFCCVEGCSA-N 0 1 275.421 3.656 20 0 CHADMN C/C(Cl)=C\CN1CCCC[C@@H]1c1cccn1C ZINC000528401407 330264427 /nfs/dbraw/zinc/26/44/27/330264427.db2.gz WJMLLQPCGUTCSU-CEFACKQISA-N 0 1 252.789 3.695 20 0 CHADMN Cc1cccc2c1CC[C@@H]2NCc1ccncc1Cl ZINC000527656316 330273010 /nfs/dbraw/zinc/27/30/10/330273010.db2.gz YCNZWYALMBVMMB-INIZCTEOSA-N 0 1 272.779 3.821 20 0 CHADMN Cc1nc2ccc(NC(=O)C[C@@H](C)c3ccco3)cc2[nH]1 ZINC000527763690 330281577 /nfs/dbraw/zinc/28/15/77/330281577.db2.gz LQNVOWFVEBGZEU-SNVBAGLBSA-N 0 1 283.331 3.597 20 0 CHADMN CCCn1nccc1CN[C@H]1CCc2cc(Cl)ccc21 ZINC000527794470 330283860 /nfs/dbraw/zinc/28/38/60/330283860.db2.gz GXOWKTRSRFYVGD-INIZCTEOSA-N 0 1 289.810 3.724 20 0 CHADMN C[C@@H]1CC(F)(F)CCN1Cc1ccccc1OC1CC1 ZINC000528773910 330284012 /nfs/dbraw/zinc/28/40/12/330284012.db2.gz SKWSXMBTHFDENC-GFCCVEGCSA-N 0 1 281.346 3.847 20 0 CHADMN C[C@H]1CC(F)(F)CCN1Cc1ccccc1OC1CC1 ZINC000528773912 330284034 /nfs/dbraw/zinc/28/40/34/330284034.db2.gz SKWSXMBTHFDENC-LBPRGKRZSA-N 0 1 281.346 3.847 20 0 CHADMN Fc1cc2c(cc1Cl)[C@H](NCc1cccnc1)CC2 ZINC000527846752 330287707 /nfs/dbraw/zinc/28/77/07/330287707.db2.gz YNLAUHOQZSXTIN-OAHLLOKOSA-N 0 1 276.742 3.651 20 0 CHADMN CC[C@@H](NCc1cnc(C)o1)c1cc(C)ccc1C ZINC000527908327 330290569 /nfs/dbraw/zinc/29/05/69/330290569.db2.gz GLECPRIPNNHKIA-MRXNPFEDSA-N 0 1 258.365 3.841 20 0 CHADMN CC[C@H](N[C@H](C)c1ccn(C)n1)c1cc(C)ccc1C ZINC000527910910 330290715 /nfs/dbraw/zinc/29/07/15/330290715.db2.gz WGCNYSMVRQGOBO-ZBFHGGJFSA-N 0 1 271.408 3.839 20 0 CHADMN CC(C)c1cccc([C@@H](C)NCc2ccnc(N(C)C)n2)c1 ZINC000527875263 330291033 /nfs/dbraw/zinc/29/10/33/330291033.db2.gz CGUSRIPQRMGWIL-CQSZACIVSA-N 0 1 298.434 3.517 20 0 CHADMN Cc1ncc(CN[C@H](C)c2cccc(C(C)C)c2)o1 ZINC000527918339 330295377 /nfs/dbraw/zinc/29/53/77/330295377.db2.gz WCWHVKBSMBJXNS-GFCCVEGCSA-N 0 1 258.365 3.957 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1ccccc1CC(C)C ZINC000527919783 330295532 /nfs/dbraw/zinc/29/55/32/330295532.db2.gz KGLDHUMIAAIOHC-HNNXBMFYSA-N 0 1 283.419 3.834 20 0 CHADMN CSc1ccc(F)cc1CNCc1cncn1C(C)C ZINC000424148977 330295652 /nfs/dbraw/zinc/29/56/52/330295652.db2.gz VMZDTYHTJYADOS-UHFFFAOYSA-N 0 1 293.411 3.615 20 0 CHADMN c1c[nH]c([C@@H](NC[C@@H]2CC[C@H]3C[C@H]3C2)c2ccccc2)n1 ZINC000527932807 330297589 /nfs/dbraw/zinc/29/75/89/330297589.db2.gz YWIVUORPMPLQLI-XBVQOTNRSA-N 0 1 281.403 3.525 20 0 CHADMN c1c[nH]c([C@H](NCC[C@@H]2CC=CCC2)c2ccccc2)n1 ZINC000527983194 330298419 /nfs/dbraw/zinc/29/84/19/330298419.db2.gz VPOLMVIYWLMPKE-NVXWUHKLSA-N 0 1 281.403 3.835 20 0 CHADMN CC[C@@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccn(C)n1 ZINC000527992408 330299232 /nfs/dbraw/zinc/29/92/32/330299232.db2.gz IFFOTBYRBGNJCJ-HUUCEWRRSA-N 0 1 289.810 3.802 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H](c1ccccn1)C1CCC1 ZINC000527961256 330300581 /nfs/dbraw/zinc/30/05/81/330300581.db2.gz BIDQGEDTLJUOGS-KBXCAEBGSA-N 0 1 281.403 3.977 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccc3cn(C)nc3c2)o1 ZINC000527960680 330300672 /nfs/dbraw/zinc/30/06/72/330300672.db2.gz DBMYHKQRCYUYKE-GFCCVEGCSA-N 0 1 283.375 3.580 20 0 CHADMN C[C@@H](N[C@@H](c1ccccn1)C1CCC1)c1cncs1 ZINC000527961939 330300755 /nfs/dbraw/zinc/30/07/55/330300755.db2.gz CJVMKYMOVNGVHW-IAQYHMDHSA-N 0 1 273.405 3.730 20 0 CHADMN C[C@@H](N[C@H](c1ccccn1)C1CCC1)c1cccc(O)c1 ZINC000527967744 330301332 /nfs/dbraw/zinc/30/13/32/330301332.db2.gz MXVOTCKLZFNDNO-ACJLOTCBSA-N 0 1 282.387 3.979 20 0 CHADMN Cc1cccc([C@H](N[C@H](C)c2ccncn2)C(C)C)c1 ZINC000528010318 330303887 /nfs/dbraw/zinc/30/38/87/330303887.db2.gz MKRNEIYPSUDSCI-RHSMWYFYSA-N 0 1 269.392 3.833 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2C[C@]2(C)OC(C)C)oc1C ZINC000528010562 330303960 /nfs/dbraw/zinc/30/39/60/330303960.db2.gz ZLOPNVHJJLBZCK-DFBGVHRSSA-N 0 1 251.370 3.503 20 0 CHADMN CC[C@H](N[C@H](C)c1cnccn1)c1cc(C)ccc1C ZINC000528022519 330304825 /nfs/dbraw/zinc/30/48/25/330304825.db2.gz ZKRITPKSYZFDEK-ZBFHGGJFSA-N 0 1 269.392 3.895 20 0 CHADMN c1nc2cc(-c3noc([C@@H]4CCCC45CC5)n3)ccc2[nH]1 ZINC000528128356 330308668 /nfs/dbraw/zinc/30/86/68/330308668.db2.gz RSOZWLXTRPJNBD-NSHDSACASA-N 0 1 280.331 3.661 20 0 CHADMN Cc1cc(F)c(CNC[C@@H]2COc3ccccc32)c(F)c1 ZINC000424181637 330319329 /nfs/dbraw/zinc/31/93/29/330319329.db2.gz RMFRJWUMDLDYGM-GFCCVEGCSA-N 0 1 289.325 3.539 20 0 CHADMN FC(F)(F)c1ncccc1CN1CCCCCCC1 ZINC000528337985 330319421 /nfs/dbraw/zinc/31/94/21/330319421.db2.gz LJRIFIFURATGSG-UHFFFAOYSA-N 0 1 272.314 3.867 20 0 CHADMN C/C(Cl)=C\CN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000528343265 330319724 /nfs/dbraw/zinc/31/97/24/330319724.db2.gz AOXLLRWAKXUTLK-UDYBNVKDSA-N 0 1 279.811 3.575 20 0 CHADMN CCN(CCc1ccccc1)Cc1ncccc1Cl ZINC000528358627 330322014 /nfs/dbraw/zinc/32/20/14/330322014.db2.gz XKHVWJAMHIOAOE-UHFFFAOYSA-N 0 1 274.795 3.800 20 0 CHADMN Fc1ccc(C2(NCc3ccc(F)c(F)c3)CC2)cc1 ZINC000533068093 330326447 /nfs/dbraw/zinc/32/64/47/330326447.db2.gz HTIBDBFFERQFBG-UHFFFAOYSA-N 0 1 277.289 3.883 20 0 CHADMN CC(C)C(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000105986242 330331587 /nfs/dbraw/zinc/33/15/87/330331587.db2.gz ZRVNGZQUJPJSDF-UHFFFAOYSA-N 0 1 297.333 3.964 20 0 CHADMN CSc1ccccc1C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000424250261 330332122 /nfs/dbraw/zinc/33/21/22/330332122.db2.gz BFWNYWWIJKGXFY-CQSZACIVSA-N 0 1 293.432 3.628 20 0 CHADMN C[C@@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)[C@@H]1C(=O)[O-] ZINC000424269270 330333199 /nfs/dbraw/zinc/33/31/99/330333199.db2.gz MFJTTYCGXWTDJG-KDOFPFPSSA-N 0 1 297.398 3.567 20 0 CHADMN COc1ccc([C@H](C)NC2CC(F)(F)C2)c(Cl)c1 ZINC000424288842 330334304 /nfs/dbraw/zinc/33/43/04/330334304.db2.gz ZQWMBZXELHRMEP-QMMMGPOBSA-N 0 1 275.726 3.797 20 0 CHADMN COc1ccccc1[C@H](C)NCc1ccc(C)c(F)c1 ZINC000106409786 330337584 /nfs/dbraw/zinc/33/75/84/330337584.db2.gz JNQACFHLCQSBBI-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN Fc1ccc(Br)c2c1CC[C@H]2N[C@H]1CC12CC2 ZINC000424332532 330342699 /nfs/dbraw/zinc/34/26/99/330342699.db2.gz WTYQCOFTHKZQNS-NEPJUHHUSA-N 0 1 296.183 3.718 20 0 CHADMN C[C@H](N[C@H]1CC12CC2)c1ccc(F)cc1Br ZINC000424334615 330343103 /nfs/dbraw/zinc/34/31/03/330343103.db2.gz YWJQLGVCLGXGDZ-UFBFGSQYSA-N 0 1 284.172 3.791 20 0 CHADMN C[C@@H](CC(C)(C)C)c1nc(C2(N)CCCCC2)no1 ZINC000424338496 330343816 /nfs/dbraw/zinc/34/38/16/330343816.db2.gz AHHQQBYZIXPETC-NSHDSACASA-N 0 1 265.401 3.727 20 0 CHADMN CCCCS[C@@H](C)c1nc(C2(N)CCCCC2)no1 ZINC000424339554 330343907 /nfs/dbraw/zinc/34/39/07/330343907.db2.gz DBBBIMNZPLAAHT-NSHDSACASA-N 0 1 283.441 3.782 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccnc(C)c2)c(Cl)c1 ZINC000424342017 330344141 /nfs/dbraw/zinc/34/41/41/330344141.db2.gz BZGVIBMQBJFUMR-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1cccc([C@@H](C)c2nc(C3(N)CCCCC3)no2)c1 ZINC000424343603 330344495 /nfs/dbraw/zinc/34/44/95/330344495.db2.gz JYYNUCOXHXRMRV-CYBMUJFWSA-N 0 1 285.391 3.648 20 0 CHADMN CCC(CC)[C@H](C)c1nc(C2(N)CCCCC2)no1 ZINC000424345004 330344568 /nfs/dbraw/zinc/34/45/68/330344568.db2.gz MHLDJSYDYUNWSB-NSHDSACASA-N 0 1 265.401 3.727 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(C3CCC3)cc2)[C@H]1C(=O)[O-] ZINC000424414637 330350576 /nfs/dbraw/zinc/35/05/76/330350576.db2.gz RDMCXMQVBLQGEU-CXAGYDPISA-N 0 1 287.403 3.639 20 0 CHADMN CC[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C ZINC000533246219 330355245 /nfs/dbraw/zinc/35/52/45/330355245.db2.gz LBVRLBMXAFRWMA-UHFFFAOYSA-N 0 1 289.206 3.662 20 0 CHADMN CCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C ZINC000533246219 330355246 /nfs/dbraw/zinc/35/52/46/330355246.db2.gz LBVRLBMXAFRWMA-UHFFFAOYSA-N 0 1 289.206 3.662 20 0 CHADMN CCCN(C)[C@@H](C)c1ccccc1Br ZINC000533260784 330355784 /nfs/dbraw/zinc/35/57/84/330355784.db2.gz YNDOYXHWLJNIDQ-JTQLQIEISA-N 0 1 256.187 3.852 20 0 CHADMN CN(Cc1nc2cc(Cl)ccc2n1C)CC(C)(C)C ZINC000533279121 330356408 /nfs/dbraw/zinc/35/64/08/330356408.db2.gz GTFOWWIBTOTDCM-UHFFFAOYSA-N 0 1 279.815 3.705 20 0 CHADMN CCC[C@@H]1CCCN(Cc2nccn2Cc2ccccc2)C1 ZINC000533345496 330358452 /nfs/dbraw/zinc/35/84/52/330358452.db2.gz IPDQUQSDKKZKTC-QGZVFWFLSA-N 0 1 297.446 3.944 20 0 CHADMN CC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccccc1 ZINC000055460461 330365680 /nfs/dbraw/zinc/36/56/80/330365680.db2.gz HFTWIWGGNYJDQK-CQSZACIVSA-N 0 1 289.762 3.927 20 0 CHADMN CSc1ccccc1NC(=O)c1c(O)cccc1F ZINC000119031949 330368954 /nfs/dbraw/zinc/36/89/54/330368954.db2.gz OWTYSXCZBCFOND-UHFFFAOYSA-N 0 1 277.320 3.506 20 0 CHADMN O=c1nc(-c2cc(Cl)cc(Cl)c2)[nH]c2ccsc21 ZINC000119050468 330369526 /nfs/dbraw/zinc/36/95/26/330369526.db2.gz BIEFSBSKKLHIIF-UHFFFAOYSA-N 0 1 297.166 3.958 20 0 CHADMN CC(C)(C)[C@@H]1CCCC[C@H]1NCc1nnsc1Cl ZINC000119468356 330375546 /nfs/dbraw/zinc/37/55/46/330375546.db2.gz ADPCIVKJTSSTIM-NXEZZACHSA-N 0 1 287.860 3.886 20 0 CHADMN C[C@@H](NCCn1cccn1)c1cccc(Cl)c1Cl ZINC000089514742 330385614 /nfs/dbraw/zinc/38/56/14/330385614.db2.gz WEOLZAKAWFUFJP-SNVBAGLBSA-N 0 1 284.190 3.541 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCC[C@H]1C1CCCCC1 ZINC000120203159 330386210 /nfs/dbraw/zinc/38/62/10/330386210.db2.gz JQPLRJQDJCBOAD-AWEZNQCLSA-N 0 1 291.366 3.716 20 0 CHADMN CC(C)c1ccccc1OCCN[C@@H](C)c1nccs1 ZINC000089597351 330386583 /nfs/dbraw/zinc/38/65/83/330386583.db2.gz ATVPUCISXICIKL-ZDUSSCGKSA-N 0 1 290.432 3.996 20 0 CHADMN C[C@H]1CN(CCc2ccccc2)C[C@H](c2ccsc2)O1 ZINC000120990137 330394167 /nfs/dbraw/zinc/39/41/67/330394167.db2.gz CUMVMOFWACJGFI-WMLDXEAASA-N 0 1 287.428 3.753 20 0 CHADMN CC[C@H](CSC)N(C)Cc1cc(F)ccc1F ZINC000091098445 330398903 /nfs/dbraw/zinc/39/89/03/330398903.db2.gz JSLMFGKCQSQSCT-GFCCVEGCSA-N 0 1 259.365 3.538 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@@H](C)c2nccs2)C1(CC)CC ZINC000091733626 330402639 /nfs/dbraw/zinc/40/26/39/330402639.db2.gz DMBMXMJSNYNPOG-RWMBFGLXSA-N 0 1 282.453 3.778 20 0 CHADMN C[C@H](NCc1ccc(Cl)cc1)c1ccc(F)cn1 ZINC000092195573 330407926 /nfs/dbraw/zinc/40/79/26/330407926.db2.gz BTTAOWICKQGEBV-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN CCCCOCCNC1(c2ccc(F)cc2F)CCC1 ZINC000537158806 330408616 /nfs/dbraw/zinc/40/86/16/330408616.db2.gz QSJSQYUJXXAXGC-UHFFFAOYSA-N 0 1 283.362 3.750 20 0 CHADMN O=C(Nc1cccc(C(F)F)c1)c1c(O)cccc1F ZINC000122399919 330421349 /nfs/dbraw/zinc/42/13/49/330421349.db2.gz RHSACTISTSPYMT-UHFFFAOYSA-N 0 1 281.233 3.721 20 0 CHADMN CC(C)[C@@H](C)Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000537487139 330438154 /nfs/dbraw/zinc/43/81/54/330438154.db2.gz IKJFRPNNYUWJOC-BZUAXINKSA-N 0 1 290.451 3.752 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H](C)c1cnn(C(C)C)c1 ZINC000537881271 330459227 /nfs/dbraw/zinc/45/92/27/330459227.db2.gz JOHDVLWAWUJIKT-KGLIPLIRSA-N 0 1 272.396 3.579 20 0 CHADMN Cc1nc2c(n1Cc1ccc(C)cc1C)CCCC2 ZINC000516316009 330490776 /nfs/dbraw/zinc/49/07/76/330490776.db2.gz XPMHMXRBTBHPRK-UHFFFAOYSA-N 0 1 254.377 3.735 20 0 CHADMN CC(C)C1(C)CCN(Cc2nc3cccnc3s2)CC1 ZINC000426737016 330514627 /nfs/dbraw/zinc/51/46/27/330514627.db2.gz ZYTDRIYPWVOKEK-UHFFFAOYSA-N 0 1 289.448 3.949 20 0 CHADMN Cc1cnc([C@@H](C)N[C@@H](c2ccccc2)C2CCC2)cn1 ZINC000428389679 330522116 /nfs/dbraw/zinc/52/21/16/330522116.db2.gz MNFDYQNCLWFWRT-KDOFPFPSSA-N 0 1 281.403 3.977 20 0 CHADMN c1sc(C2CC2)nc1CN(C1CCC1)C1CCC1 ZINC000429121273 330538787 /nfs/dbraw/zinc/53/87/87/330538787.db2.gz FMKMBDYMEIONGL-UHFFFAOYSA-N 0 1 262.422 3.928 20 0 CHADMN CCCC[C@H](C)NCc1c(F)cc(F)c(F)c1F ZINC000430742366 330572224 /nfs/dbraw/zinc/57/22/24/330572224.db2.gz WMRVWGIXYWMWMZ-QMMMGPOBSA-N 0 1 263.278 3.911 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H]2CC3CCC2CC3)no1 ZINC000433069824 330615997 /nfs/dbraw/zinc/61/59/97/330615997.db2.gz WESHGDYAYUCNHV-XUJLQICISA-N 0 1 297.402 3.713 20 0 CHADMN CC(C)(NCc1ccc(-c2cc[nH]n2)o1)c1cccc(F)c1 ZINC000433304758 330624314 /nfs/dbraw/zinc/62/43/14/330624314.db2.gz LHYYVSOAIKSOAJ-UHFFFAOYSA-N 0 1 299.349 3.834 20 0 CHADMN CCOCCN[C@H](C)c1cccc(Cl)c1Cl ZINC000161895979 330640872 /nfs/dbraw/zinc/64/08/72/330640872.db2.gz YLZVZIIAHKFYFE-SECBINFHSA-N 0 1 262.180 3.681 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@@H](C)c1ccc(F)cc1F ZINC000153587693 330646097 /nfs/dbraw/zinc/64/60/97/330646097.db2.gz GRMRBHIKKZZXOM-SFYZADRCSA-N 0 1 267.241 3.956 20 0 CHADMN O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1ccc(F)cc1O ZINC000436615589 330681691 /nfs/dbraw/zinc/68/16/91/330681691.db2.gz GIKOTONXDKZCNK-UHFFFAOYSA-N 0 1 296.301 3.779 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)CCC2CCCC2)c1 ZINC000436644598 330682135 /nfs/dbraw/zinc/68/21/35/330682135.db2.gz KATFWNPXBYBZKY-UHFFFAOYSA-N 0 1 289.375 3.894 20 0 CHADMN O=C(NC1CCCCC1)c1c(O)cc(Cl)cc1Cl ZINC000436756699 330684399 /nfs/dbraw/zinc/68/43/99/330684399.db2.gz DFIRYBOCFKQJTI-UHFFFAOYSA-N 0 1 288.174 3.762 20 0 CHADMN Cc1ccccc1CN(C(=O)c1c(O)cccc1F)C1CC1 ZINC000436942339 330689494 /nfs/dbraw/zinc/68/94/94/330689494.db2.gz GQZCEURGOBBZIV-UHFFFAOYSA-N 0 1 299.345 3.645 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1C(=O)c1c(O)cccc1F ZINC000436942538 330689573 /nfs/dbraw/zinc/68/95/73/330689573.db2.gz IPEGEWSRHHWVHI-HNNXBMFYSA-N 0 1 299.345 3.817 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H]1CCc2c1cccc2C ZINC000437088952 330693106 /nfs/dbraw/zinc/69/31/06/330693106.db2.gz STVDFQHQPARVNL-DYVFJYSZSA-N 0 1 282.387 3.737 20 0 CHADMN FC(F)(F)c1cc(CN[C@@H]2CCCc3ccccc32)[nH]n1 ZINC000440798298 330756776 /nfs/dbraw/zinc/75/67/76/330756776.db2.gz HEDJCHQUBUWUGU-CYBMUJFWSA-N 0 1 295.308 3.596 20 0 CHADMN CCC1CCN(Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000441231971 330763762 /nfs/dbraw/zinc/76/37/62/330763762.db2.gz MZJXWTASLXPALY-UHFFFAOYSA-N 0 1 287.382 3.633 20 0 CHADMN Cc1cc(F)cc(-c2noc(CN3[C@@H](C)CC[C@@H]3C)n2)c1 ZINC000443228625 330797558 /nfs/dbraw/zinc/79/75/58/330797558.db2.gz VSPBBEUZTGZEOT-RYUDHWBXSA-N 0 1 289.354 3.557 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000443611725 330802684 /nfs/dbraw/zinc/80/26/84/330802684.db2.gz AJBFVERSRYSXAS-RYUDHWBXSA-N 0 1 291.345 3.523 20 0 CHADMN c1oc2ccccc2c1CNCc1ccc2c(n1)CCCC2 ZINC000444013449 330809346 /nfs/dbraw/zinc/80/93/46/330809346.db2.gz UZKMTXUKBJWAEB-UHFFFAOYSA-N 0 1 292.382 3.996 20 0 CHADMN CC(C)(C)[C@H](CO)NCc1csc(C2CCCCC2)n1 ZINC000444719291 330821613 /nfs/dbraw/zinc/82/16/13/330821613.db2.gz YULLKZZDQYZIRA-AWEZNQCLSA-N 0 1 296.480 3.687 20 0 CHADMN CC1(C)CC[C@H](N[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000446926530 330858122 /nfs/dbraw/zinc/85/81/22/330858122.db2.gz YTHVLRKIVORQAO-GJZGRUSLSA-N 0 1 269.392 3.667 20 0 CHADMN C[C@@H](NCc1ccncc1F)c1ccc2c(c1)CCCC2 ZINC000449060383 330896143 /nfs/dbraw/zinc/89/61/43/330896143.db2.gz FKBDQXNDPVBKBJ-CYBMUJFWSA-N 0 1 284.378 3.950 20 0 CHADMN CC[C@H](NCc1c(C)nnn1CC)c1ccc(Cl)cc1 ZINC000449077445 330897683 /nfs/dbraw/zinc/89/76/83/330897683.db2.gz VYKCLSQPHPHDMI-AWEZNQCLSA-N 0 1 292.814 3.501 20 0 CHADMN CCc1cc(NC(=O)[C@@H](N)c2ccccc2C)ccc1C ZINC000449177479 330903906 /nfs/dbraw/zinc/90/39/06/330903906.db2.gz VUGYANPDTLSKKO-KRWDZBQOSA-N 0 1 282.387 3.504 20 0 CHADMN CC[C@@H]1C[C@]1(NCc1ccncc1F)c1cccc(C)c1 ZINC000449308595 330913666 /nfs/dbraw/zinc/91/36/66/330913666.db2.gz YJLGVCHZIJPTKR-CRAIPNDOSA-N 0 1 284.378 3.944 20 0 CHADMN FC(F)[C@H]1C[C@@H]1NCc1cc(Cl)sc1Cl ZINC000449319197 330914207 /nfs/dbraw/zinc/91/42/07/330914207.db2.gz JIKYNICHWRTMRD-WDSKDSINSA-N 0 1 272.147 3.798 20 0 CHADMN CC[C@H](N[C@H]1CCC[C@H](c2cccnc2)C1)C(F)F ZINC000449365685 330919090 /nfs/dbraw/zinc/91/90/90/330919090.db2.gz WTZQEKWBXJFJBV-UBHSHLNASA-N 0 1 268.351 3.741 20 0 CHADMN FC(F)(F)c1cnc(CNCCC2CCCCC2)nc1 ZINC000449475864 330928813 /nfs/dbraw/zinc/92/88/13/330928813.db2.gz YCYJCPUUWGOPAN-UHFFFAOYSA-N 0 1 287.329 3.555 20 0 CHADMN CC(C)C[C@H](C)CNCc1noc(-c2cccs2)n1 ZINC000449558937 330936436 /nfs/dbraw/zinc/93/64/36/330936436.db2.gz YVQYSZAPYITHRY-NSHDSACASA-N 0 1 279.409 3.570 20 0 CHADMN FC(F)(F)c1cccc(C2CN(Cc3cccnc3)C2)c1 ZINC000449664403 330942908 /nfs/dbraw/zinc/94/29/08/330942908.db2.gz LGTHOYKFGVEWKW-UHFFFAOYSA-N 0 1 292.304 3.700 20 0 CHADMN Cc1cnc(CNC2(Cc3cccc(Cl)c3)CC2)s1 ZINC000449675944 330943088 /nfs/dbraw/zinc/94/30/88/330943088.db2.gz DFGJINBHOJKGKK-UHFFFAOYSA-N 0 1 292.835 3.970 20 0 CHADMN Clc1cccc([C@H]2CC[C@H](NCc3csnn3)C2)c1 ZINC000449770797 330948899 /nfs/dbraw/zinc/94/88/99/330948899.db2.gz JBHHJXSEUOQBME-AAEUAGOBSA-N 0 1 293.823 3.617 20 0 CHADMN CCCCOC1CCN(Cc2cccc(C(C)=O)c2)CC1 ZINC000450456344 330980980 /nfs/dbraw/zinc/98/09/80/330980980.db2.gz XIKIBQWCOLKLHG-UHFFFAOYSA-N 0 1 289.419 3.670 20 0 CHADMN C[C@H](c1ccccc1)[C@H](C)NCc1nnc(C2CC2)s1 ZINC000450690605 330993939 /nfs/dbraw/zinc/99/39/39/330993939.db2.gz VSQLBNYCVBWKRX-RYUDHWBXSA-N 0 1 287.432 3.697 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1csnn1 ZINC000450821108 331001054 /nfs/dbraw/zinc/00/10/54/331001054.db2.gz PVBWNRAPLPVSBR-NWANDNLSSA-N 0 1 287.432 3.600 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1csnn1 ZINC000450821182 331001063 /nfs/dbraw/zinc/00/10/63/331001063.db2.gz QZTPPERUYLITTA-AVGNSLFASA-N 0 1 267.442 3.794 20 0 CHADMN CO[C@H]([C@H](C)Nc1ccnc2cc(F)ccc21)C1CC1 ZINC000450856970 331003185 /nfs/dbraw/zinc/00/31/85/331003185.db2.gz ISQLTLMQESRVJO-MGPLVRAMSA-N 0 1 274.339 3.599 20 0 CHADMN Cc1nn(C)cc1CSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000450910138 331006589 /nfs/dbraw/zinc/00/65/89/331006589.db2.gz PFNXPNXVKUINPK-UHFFFAOYSA-N 0 1 298.415 3.719 20 0 CHADMN C[C@@H](NCCC1=CCCCC1)c1c(F)cncc1F ZINC000450993358 331010902 /nfs/dbraw/zinc/01/09/02/331010902.db2.gz VIKNWILIWOWHFR-LLVKDONJSA-N 0 1 266.335 3.901 20 0 CHADMN CCCC[C@H](C)N(CCCC)Cc1cnns1 ZINC000451075824 331015050 /nfs/dbraw/zinc/01/50/50/331015050.db2.gz YNBQSKWNKXHISU-LBPRGKRZSA-N 0 1 255.431 3.719 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)CCCC(C)C ZINC000451129795 331016865 /nfs/dbraw/zinc/01/68/65/331016865.db2.gz NLDWZYKSKJWIOT-UHFFFAOYSA-N 0 1 259.353 3.636 20 0 CHADMN Cc1nc(CN(C)CCc2ccccc2C)c(C)s1 ZINC000451165372 331018393 /nfs/dbraw/zinc/01/83/93/331018393.db2.gz KIJGTSSZFNAAKZ-UHFFFAOYSA-N 0 1 274.433 3.743 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1ccc(F)c(C)c1 ZINC000451169167 331018555 /nfs/dbraw/zinc/01/85/55/331018555.db2.gz ZGMZDAXYCPKFDK-SNVBAGLBSA-N 0 1 262.328 3.590 20 0 CHADMN COC[C@]1(C)CC[N@H+]([C@H](C)c2cccc(Cl)c2F)C1 ZINC000451203343 331020566 /nfs/dbraw/zinc/02/05/66/331020566.db2.gz PUJDIIOBDXDDHN-IAQYHMDHSA-N 0 1 285.790 3.899 20 0 CHADMN COC[C@]1(C)CCN([C@H](C)c2cccc(Cl)c2F)C1 ZINC000451203343 331020567 /nfs/dbraw/zinc/02/05/67/331020567.db2.gz PUJDIIOBDXDDHN-IAQYHMDHSA-N 0 1 285.790 3.899 20 0 CHADMN CC1(C)OCC[C@@H]1NCc1csc(C2CCCCC2)n1 ZINC000451235788 331021437 /nfs/dbraw/zinc/02/14/37/331021437.db2.gz LCCKSWYPTHMCTP-AWEZNQCLSA-N 0 1 294.464 3.848 20 0 CHADMN CCO[C@@H]1CCN([C@H](C)c2ccc(F)cc2F)C[C@@H]1C ZINC000451542958 331033183 /nfs/dbraw/zinc/03/31/83/331033183.db2.gz OENZDLYPZYQALG-HWWQOWPSSA-N 0 1 283.362 3.773 20 0 CHADMN CO[C@@H]1CCN([C@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1C ZINC000451551659 331033967 /nfs/dbraw/zinc/03/39/67/331033967.db2.gz WRTCWWLXWCNIAM-FIXISWKDSA-N 0 1 285.790 3.897 20 0 CHADMN COc1cc(Cl)ccc1CN1CC[C@H](OC)C(C)(C)C1 ZINC000451555243 331034124 /nfs/dbraw/zinc/03/41/24/331034124.db2.gz HVLLNVDAQDWSKO-HNNXBMFYSA-N 0 1 297.826 3.596 20 0 CHADMN FC(F)(F)CCCCN1CCOCC12CCCCC2 ZINC000451811393 331043310 /nfs/dbraw/zinc/04/33/10/331043310.db2.gz FDTNECXSCIKCDA-UHFFFAOYSA-N 0 1 279.346 3.754 20 0 CHADMN COCCCCN1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451877076 331045923 /nfs/dbraw/zinc/04/59/23/331045923.db2.gz HIMISDXZOPKBLV-MRXNPFEDSA-N 0 1 287.407 3.517 20 0 CHADMN C[C@H](F)CCN1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451879680 331046201 /nfs/dbraw/zinc/04/62/01/331046201.db2.gz SCLACDQKVNHBCF-WFASDCNBSA-N 0 1 275.371 3.838 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C(C)(C)C2CCC2)c1 ZINC000451897035 331046559 /nfs/dbraw/zinc/04/65/59/331046559.db2.gz VRROOPHNZCALJZ-UHFFFAOYSA-N 0 1 289.375 3.750 20 0 CHADMN Fc1ccc([C@H]2CCCN2CCc2ccccn2)c(F)c1 ZINC000451966106 331048813 /nfs/dbraw/zinc/04/88/13/331048813.db2.gz LQJVAPSZIPBPQJ-QGZVFWFLSA-N 0 1 288.341 3.739 20 0 CHADMN C[C@@H]1CC[C@@H](CN2CCC[C@@H]2c2ccc(F)cc2F)O1 ZINC000451968784 331048910 /nfs/dbraw/zinc/04/89/10/331048910.db2.gz JKTHCEGZWNJCGJ-PVXIVEMSSA-N 0 1 281.346 3.669 20 0 CHADMN Cc1ccccc1-c1nc(CN2[C@H](C)CCC2(C)C)no1 ZINC000452018446 331050687 /nfs/dbraw/zinc/05/06/87/331050687.db2.gz YCFREZNXWIKWLR-CYBMUJFWSA-N 0 1 285.391 3.808 20 0 CHADMN CCOc1cc(C)ccc1CN[C@@H](C)c1cccc(O)c1 ZINC000194913230 331074652 /nfs/dbraw/zinc/07/46/52/331074652.db2.gz FIMBAUVUDKIMLU-AWEZNQCLSA-N 0 1 285.387 3.950 20 0 CHADMN Cc1ccc([C@@H](N[C@H](C)c2ccncn2)C2CC2)cc1 ZINC000453060301 331085430 /nfs/dbraw/zinc/08/54/30/331085430.db2.gz BZTVTXIULKCRHB-CXAGYDPISA-N 0 1 267.376 3.587 20 0 CHADMN C[C@@H]1C[C@H](N[C@H]2CCCCc3ccccc32)c2nccn21 ZINC000453083714 331087449 /nfs/dbraw/zinc/08/74/49/331087449.db2.gz FERRZEIFAGILBR-COXVUDFISA-N 0 1 281.403 3.946 20 0 CHADMN COc1ccc(CN[C@@H](C)c2csc(C)c2)cc1O ZINC000453084809 331087623 /nfs/dbraw/zinc/08/76/23/331087623.db2.gz GEVKTAIUJUKEEK-NSHDSACASA-N 0 1 277.389 3.622 20 0 CHADMN C[C@@H](NCc1ccc(C(C)(C)C)cc1)c1ccncn1 ZINC000453093864 331088508 /nfs/dbraw/zinc/08/85/08/331088508.db2.gz SGXMFEFJPWXDGE-CYBMUJFWSA-N 0 1 269.392 3.625 20 0 CHADMN CC/C(C)=C\c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000453116391 331090777 /nfs/dbraw/zinc/09/07/77/331090777.db2.gz WIOHOUPCDJXTBI-FLIBITNWSA-N 0 1 289.354 3.751 20 0 CHADMN CC(C)COc1ccc([C@H](C)N[C@H](C)c2ccncn2)cc1 ZINC000453151258 331094524 /nfs/dbraw/zinc/09/45/24/331094524.db2.gz XWMATWZIZIAEMO-LSDHHAIUSA-N 0 1 299.418 3.923 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H]1C[C@H](C)c2ccccc21 ZINC000453156818 331095187 /nfs/dbraw/zinc/09/51/87/331095187.db2.gz HMZBEEWWIXXTLI-HEHGZKQESA-N 0 1 269.392 3.802 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN[C@@H](C)c1ccncn1 ZINC000453218425 331102896 /nfs/dbraw/zinc/10/28/96/331102896.db2.gz LHJQYEKCDIXHIN-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN CC[C@@H](N[C@@H]1CCOc2c(F)cccc21)c1ccncc1 ZINC000453232510 331104704 /nfs/dbraw/zinc/10/47/04/331104704.db2.gz VZRQZACSKMRWCY-HZPDHXFCSA-N 0 1 286.350 3.785 20 0 CHADMN CC[C@H](Nc1cc2c(cn1)CCCC2)c1ccncc1 ZINC000453236529 331105082 /nfs/dbraw/zinc/10/50/82/331105082.db2.gz JZULZHGEJMWJEM-INIZCTEOSA-N 0 1 267.376 3.919 20 0 CHADMN Cn1cc2c(n1)CCC[C@@H]2NCc1cc(C2CC2)ccc1F ZINC000453247326 331106996 /nfs/dbraw/zinc/10/69/96/331106996.db2.gz AHZFLZZVUUNQHP-KRWDZBQOSA-N 0 1 299.393 3.604 20 0 CHADMN CCCC[C@@H](NCc1ccnc(OC)n1)c1ccccc1 ZINC000453250968 331107646 /nfs/dbraw/zinc/10/76/46/331107646.db2.gz NDKQYDQDOQJIDR-MRXNPFEDSA-N 0 1 285.391 3.506 20 0 CHADMN Cn1cc([C@H](NCC2=CCCCC2)c2cccc(F)c2)cn1 ZINC000453253429 331107917 /nfs/dbraw/zinc/10/79/17/331107917.db2.gz PQFIOJSPKWJMCL-GOSISDBHSA-N 0 1 299.393 3.739 20 0 CHADMN CC[C@@H](N[C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1)C(F)F ZINC000453253335 331107960 /nfs/dbraw/zinc/10/79/60/331107960.db2.gz WVXZZKHKVHTAAH-CJYSPXJISA-N 0 1 283.362 3.821 20 0 CHADMN Cn1cc([C@@H](NCC2=CCCCC2)c2cccc(F)c2)cn1 ZINC000453253431 331108049 /nfs/dbraw/zinc/10/80/49/331108049.db2.gz PQFIOJSPKWJMCL-SFHVURJKSA-N 0 1 299.393 3.739 20 0 CHADMN Cc1c([C@@H](C)NCc2cnccc2C)cnn1C(C)(C)C ZINC000453319140 331115914 /nfs/dbraw/zinc/11/59/14/331115914.db2.gz CTTWNGPKQIWEOU-CYBMUJFWSA-N 0 1 286.423 3.501 20 0 CHADMN COc1ccc([C@H](NCc2cnc(C3CC3)o2)C2CC2)cc1 ZINC000453346512 331120078 /nfs/dbraw/zinc/12/00/78/331120078.db2.gz IGKUPJPNUITYEE-QGZVFWFLSA-N 0 1 298.386 3.802 20 0 CHADMN COc1cccnc1CN[C@@H]1CC[C@H](C)c2ccsc21 ZINC000453357159 331121812 /nfs/dbraw/zinc/12/18/12/331121812.db2.gz IGVUCTFOPIHBSX-WCQYABFASA-N 0 1 288.416 3.880 20 0 CHADMN CC(C)[C@@H]1C[C@H]1CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000453362419 331122740 /nfs/dbraw/zinc/12/27/40/331122740.db2.gz REPPTMHIMTZIFL-CWRNSKLLSA-N 0 1 287.382 3.520 20 0 CHADMN CCc1ncc(CN[C@H](C)c2ccc3c(c2)CCCC3)o1 ZINC000453367413 331123434 /nfs/dbraw/zinc/12/34/34/331123434.db2.gz MLSLHGMXNXAAKQ-CYBMUJFWSA-N 0 1 284.403 3.967 20 0 CHADMN CCc1ncc(CN[C@@H]2C[C@@H](C)c3c2cccc3C)o1 ZINC000453394161 331127850 /nfs/dbraw/zinc/12/78/50/331127850.db2.gz SDYSUZYHLBCRBV-IUODEOHRSA-N 0 1 270.376 3.884 20 0 CHADMN Cc1cc(Br)c(CN(C)CC2CC2)s1 ZINC000453566814 331134391 /nfs/dbraw/zinc/13/43/91/331134391.db2.gz STOFZRDLSVDPFN-UHFFFAOYSA-N 0 1 274.227 3.661 20 0 CHADMN COCc1ccc(CN2Cc3sccc3CC2(C)C)o1 ZINC000453615752 331136727 /nfs/dbraw/zinc/13/67/27/331136727.db2.gz GAORQENXURLHIL-UHFFFAOYSA-N 0 1 291.416 3.824 20 0 CHADMN CC[C@H]1C[C@@H](CNc2ccc3cnccc3c2)CCO1 ZINC000453622335 331137005 /nfs/dbraw/zinc/13/70/05/331137005.db2.gz VJTZUBSGVOTPBH-GUYCJALGSA-N 0 1 270.376 3.852 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@H](C(C)C)[C@H]1C(C)C ZINC000456326419 331190157 /nfs/dbraw/zinc/19/01/57/331190157.db2.gz ISVWEPXXLJMPBR-CZUORRHYSA-N 0 1 291.439 3.594 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000457000764 331209850 /nfs/dbraw/zinc/20/98/50/331209850.db2.gz LMGKPPLFMXUFSJ-MBNYWOFBSA-N 0 1 291.439 3.786 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CC[C@@H](CC(C)(C)C)C2)[nH]1 ZINC000457077922 331211695 /nfs/dbraw/zinc/21/16/95/331211695.db2.gz KZCPNZMDZJUMJO-ZDUSSCGKSA-N 0 1 299.418 3.770 20 0 CHADMN CC(C)N(Cc1ccc(F)cc1)Cc1cnc(C2CC2)nc1 ZINC000459302792 331275286 /nfs/dbraw/zinc/27/52/86/331275286.db2.gz NQTXTJLUVQQPOH-UHFFFAOYSA-N 0 1 299.393 3.904 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1cnc(C2CC2)nc1 ZINC000459308678 331275588 /nfs/dbraw/zinc/27/55/88/331275588.db2.gz OUWHLMZDIGDTNS-ZDUSSCGKSA-N 0 1 267.376 3.547 20 0 CHADMN c1ccc2c(c1)SCC[C@@H]2NCc1cnc(C2CC2)nc1 ZINC000459368588 331278534 /nfs/dbraw/zinc/27/85/34/331278534.db2.gz NHKXOPVZZMYDDD-HNNXBMFYSA-N 0 1 297.427 3.681 20 0 CHADMN Clc1cccc2c1CC[C@@H]2NCc1cnc(C2CC2)nc1 ZINC000459399967 331279888 /nfs/dbraw/zinc/27/98/88/331279888.db2.gz VVCKEKCBQIUREE-INIZCTEOSA-N 0 1 299.805 3.785 20 0 CHADMN Cc1ccccc1[C@@]1(F)CCN(C2CC(OC(C)C)C2)C1 ZINC000459440333 331281393 /nfs/dbraw/zinc/28/13/93/331281393.db2.gz XHMPUVCDBLZFCJ-LEOMRAHMSA-N 0 1 291.410 3.822 20 0 CHADMN Cn1ccc([C@@H](NC2CC3(CCC3)C2)c2ccc(F)cc2)n1 ZINC000459461903 331282719 /nfs/dbraw/zinc/28/27/19/331282719.db2.gz KRZFDTYAEJUVAT-KRWDZBQOSA-N 0 1 299.393 3.571 20 0 CHADMN CSCc1cccc(CNCc2cnc(C3CC3)nc2)c1 ZINC000459515803 331285633 /nfs/dbraw/zinc/28/56/33/331285633.db2.gz PUVXXGFPDHWBOD-UHFFFAOYSA-N 0 1 299.443 3.507 20 0 CHADMN Cc1cc(CN[C@@H]2CC[C@H](c3ccccc3F)C2)no1 ZINC000459524336 331285867 /nfs/dbraw/zinc/28/58/67/331285867.db2.gz ZNHORLVLCRKHIH-QWHCGFSZSA-N 0 1 274.339 3.548 20 0 CHADMN CCOCc1cc(CN2CC3(C2)CCCC3)ccc1OC ZINC000459557001 331287627 /nfs/dbraw/zinc/28/76/27/331287627.db2.gz GKZNPRTULAAFHK-UHFFFAOYSA-N 0 1 289.419 3.608 20 0 CHADMN COc1cc(CN2CC3(C2)CCCC3)ccc1SC ZINC000459560366 331287811 /nfs/dbraw/zinc/28/78/11/331287811.db2.gz LWWXIDUICLNKDC-UHFFFAOYSA-N 0 1 277.433 3.793 20 0 CHADMN Cc1nc2scc(C3CC3)n2c1CN1CC[C@H]1C1CC1 ZINC000459577089 331288944 /nfs/dbraw/zinc/28/89/44/331288944.db2.gz LTSROEGBYKUFQN-ZDUSSCGKSA-N 0 1 287.432 3.566 20 0 CHADMN CC(C)C[C@@H]1C[C@H]1NCc1coc(-c2ccccc2)n1 ZINC000459668979 331293275 /nfs/dbraw/zinc/29/32/75/331293275.db2.gz RAKSQDNCZZYNLF-GDBMZVCRSA-N 0 1 270.376 3.866 20 0 CHADMN COC1CCC(N[C@@H](CCc2ccccc2)C(F)F)CC1 ZINC000459678346 331293904 /nfs/dbraw/zinc/29/39/04/331293904.db2.gz NEEZAOMRQOFLLY-GPANFISMSA-N 0 1 297.389 3.800 20 0 CHADMN Cc1cnc(CN(C)[C@H]2CCC[C@H]2c2ccccc2)nc1 ZINC000459717757 331295622 /nfs/dbraw/zinc/29/56/22/331295622.db2.gz XBWDXPLBHMLCND-IRXDYDNUSA-N 0 1 281.403 3.553 20 0 CHADMN CC[C@@H]1OCC[C@H]1NCc1csc(-c2ccsc2)n1 ZINC000459749754 331298202 /nfs/dbraw/zinc/29/82/02/331298202.db2.gz YQIFQMBMQZZSJQ-OLZOCXBDSA-N 0 1 294.445 3.529 20 0 CHADMN COc1c(O)cccc1CN[C@H](C)c1ccc(Cl)cc1 ZINC000459764963 331299410 /nfs/dbraw/zinc/29/94/10/331299410.db2.gz OBXWVELHURWIQP-LLVKDONJSA-N 0 1 291.778 3.905 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccn(C)n1)c1cccc2ccccc21 ZINC000459779478 331300492 /nfs/dbraw/zinc/30/04/92/331300492.db2.gz FZBLAURZRVCMEA-KGLIPLIRSA-N 0 1 279.387 3.985 20 0 CHADMN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2ccc(Br)cn2)C1 ZINC000167562730 331308471 /nfs/dbraw/zinc/30/84/71/331308471.db2.gz IWSOUEIXUJDNJL-WOPDTQHZSA-N 0 1 297.240 3.711 20 0 CHADMN CC(C)c1ccc(C[C@@H]2CCN(Cc3ncc[nH]3)C2)cc1 ZINC000460978384 331309929 /nfs/dbraw/zinc/30/99/29/331309929.db2.gz JPUXVUGBORGLLM-INIZCTEOSA-N 0 1 283.419 3.598 20 0 CHADMN Cc1ccc(CNc2cc3c(cn2)CCCC3)s1 ZINC000461215094 331311892 /nfs/dbraw/zinc/31/18/92/331311892.db2.gz UVNUKHPKDTWYAM-UHFFFAOYSA-N 0 1 258.390 3.942 20 0 CHADMN Cc1cccc(O[C@H](C)CNCc2c(F)cccc2F)c1 ZINC000462744730 331327124 /nfs/dbraw/zinc/32/71/24/331327124.db2.gz ZWZBSRDRAZRPKL-CYBMUJFWSA-N 0 1 291.341 3.830 20 0 CHADMN COc1ccc(F)cc1CNCc1c(C)cccc1C ZINC000462794936 331329491 /nfs/dbraw/zinc/32/94/91/331329491.db2.gz LCPXSHJKGNFGKH-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN Cc1ccc(F)cc1CN1CC(c2ccccc2F)C1 ZINC000462826116 331331450 /nfs/dbraw/zinc/33/14/50/331331450.db2.gz KBTXAEWUPPMMFS-UHFFFAOYSA-N 0 1 273.326 3.873 20 0 CHADMN CCN(Cc1ccc(Oc2ccccc2)o1)C[C@@H](C)OC ZINC000462827318 331331557 /nfs/dbraw/zinc/33/15/57/331331557.db2.gz VXRAIUKISXOSGJ-CQSZACIVSA-N 0 1 289.375 3.929 20 0 CHADMN CCCCN1C(=O)N=NC1S[C@H](C)c1cccc(C)c1 ZINC000463047564 331338609 /nfs/dbraw/zinc/33/86/09/331338609.db2.gz HSTMJQFKAITUFW-GFCCVEGCSA-N 0 1 291.420 3.946 20 0 CHADMN CC[C@]1(C)CCCN(CC(=O)Nc2ccc(C)c(F)c2)C1 ZINC000464769058 331366835 /nfs/dbraw/zinc/36/68/35/331366835.db2.gz BWNBZWBXBJCCIW-QGZVFWFLSA-N 0 1 292.398 3.585 20 0 CHADMN COc1ccc(Cl)cc1CN1CCS[C@H](C(C)C)C1 ZINC000464770404 331366865 /nfs/dbraw/zinc/36/68/65/331366865.db2.gz KBTQQUMMFFWCCK-HNNXBMFYSA-N 0 1 299.867 3.922 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2ccc(F)cc2C(=O)OC)C1 ZINC000464775497 331367368 /nfs/dbraw/zinc/36/73/68/331367368.db2.gz JXTINZRIELGNFD-KRWDZBQOSA-N 0 1 293.382 3.624 20 0 CHADMN CC[C@]1(C)CCCN(Cc2ccc(F)cc2C(=O)OC)C1 ZINC000464775498 331367468 /nfs/dbraw/zinc/36/74/68/331367468.db2.gz JXTINZRIELGNFD-QGZVFWFLSA-N 0 1 293.382 3.624 20 0 CHADMN CC(C)[C@@H]1CN(Cc2ccc(Cl)cc2)CCS1 ZINC000464777156 331367589 /nfs/dbraw/zinc/36/75/89/331367589.db2.gz QNNOASFODQDUQW-AWEZNQCLSA-N 0 1 269.841 3.913 20 0 CHADMN CC[C@]1(C)CCCN(CC(=O)Nc2cccc(C)c2C)C1 ZINC000464781927 331367929 /nfs/dbraw/zinc/36/79/29/331367929.db2.gz XBICMMZWJVJWSP-GOSISDBHSA-N 0 1 288.435 3.754 20 0 CHADMN CC[C@@H]1CN(CCOc2ccccc2Cl)CCS1 ZINC000464786310 331368158 /nfs/dbraw/zinc/36/81/58/331368158.db2.gz MTQNIRTTXUWTLM-GFCCVEGCSA-N 0 1 285.840 3.546 20 0 CHADMN CC(C)c1cccc(NC(=O)CN2C[C@H](C)CC[C@H]2C)c1 ZINC000464815266 331369284 /nfs/dbraw/zinc/36/92/84/331369284.db2.gz AGGTZNVNBJPVAP-HUUCEWRRSA-N 0 1 288.435 3.869 20 0 CHADMN CC(C)c1ccc(-c2noc(CN3CCC[C@H]3C)n2)cc1 ZINC000464840084 331370595 /nfs/dbraw/zinc/37/05/95/331370595.db2.gz SKMLZGAMPQEALZ-CYBMUJFWSA-N 0 1 285.391 3.844 20 0 CHADMN CC(C)CCc1nc(CN2C[C@@H]3CCC[C@H]3C2)cs1 ZINC000464895007 331373064 /nfs/dbraw/zinc/37/30/64/331373064.db2.gz LVBPTFLHECFASA-KBPBESRZSA-N 0 1 278.465 3.964 20 0 CHADMN Cc1ccc(CN[C@H]2COc3ccc(F)cc32)cc1C ZINC000466472987 331398060 /nfs/dbraw/zinc/39/80/60/331398060.db2.gz IDZVEHJNVWYHOK-INIZCTEOSA-N 0 1 271.335 3.666 20 0 CHADMN C[C@H](Nc1ccc(Cl)c(CN(C)C)c1)C1CCOCC1 ZINC000467439477 331419325 /nfs/dbraw/zinc/41/93/25/331419325.db2.gz VLEAUHNYUGDYJG-LBPRGKRZSA-N 0 1 296.842 3.629 20 0 CHADMN Cc1cnc([C@@H](C)N[C@@H](C)CCc2ccc(F)cc2)o1 ZINC000468514424 331436384 /nfs/dbraw/zinc/43/63/84/331436384.db2.gz IIVNXEZXCWUCAD-WCQYABFASA-N 0 1 276.355 3.794 20 0 CHADMN CCC[C@](C)(CC)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000474771149 331597405 /nfs/dbraw/zinc/59/74/05/331597405.db2.gz AXMAJIQBSANREP-HOCLYGCPSA-N 0 1 296.480 3.683 20 0 CHADMN C[C@@H](CCc1c(F)cccc1F)N[C@@H](C)c1ccon1 ZINC000510929610 332920847 /nfs/dbraw/zinc/92/08/47/332920847.db2.gz MVJVPKDXNLPIDE-QWRGUYRKSA-N 0 1 280.318 3.625 20 0 CHADMN CC[C@H](C)CN[C@H](CO)c1c(Cl)cccc1Cl ZINC000475622762 331638928 /nfs/dbraw/zinc/63/89/28/331638928.db2.gz GESYIGAXTKAYMZ-JOYOIKCWSA-N 0 1 276.207 3.663 20 0 CHADMN C[C@H](CC1CC1)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000475634721 331639999 /nfs/dbraw/zinc/63/99/99/331639999.db2.gz KWDAWGRYVFOLGP-NOZJJQNGSA-N 0 1 288.218 3.805 20 0 CHADMN Fc1cccc(F)c1CNC[C@@H]1CCC2(CCCCC2)O1 ZINC000480442783 331772848 /nfs/dbraw/zinc/77/28/48/331772848.db2.gz IIMNOKJEFVSBSV-ZDUSSCGKSA-N 0 1 295.373 3.936 20 0 CHADMN Cc1ccccc1OCCNCc1ccsc1Cl ZINC000480667354 331782653 /nfs/dbraw/zinc/78/26/53/331782653.db2.gz QZSPMCLZFYBAFG-UHFFFAOYSA-N 0 1 281.808 3.879 20 0 CHADMN CCCCc1noc(CN[C@H]2CCC(C)(C)C[C@H]2C)n1 ZINC000481092859 331797726 /nfs/dbraw/zinc/79/77/26/331797726.db2.gz RYDPAALPELLZQX-OLZOCXBDSA-N 0 1 279.428 3.717 20 0 CHADMN Fc1cccc(-c2ccc(CN3CCSCC3)o2)c1F ZINC000483165629 331861512 /nfs/dbraw/zinc/86/15/12/331861512.db2.gz CNWUIOSWINFXEK-UHFFFAOYSA-N 0 1 295.354 3.774 20 0 CHADMN CCC[C@H](C)CNCc1noc(-c2ccccc2C)n1 ZINC000483329614 331869826 /nfs/dbraw/zinc/86/98/26/331869826.db2.gz YYOGLPLZVGIMFL-LBPRGKRZSA-N 0 1 273.380 3.571 20 0 CHADMN CCC(CC)c1cc(CN[C@@H](COC)CC(C)C)on1 ZINC000483737314 331883859 /nfs/dbraw/zinc/88/38/59/331883859.db2.gz UIPHKFKDNDTCOH-CQSZACIVSA-N 0 1 282.428 3.729 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CC[C@@H](C2CC2)C1 ZINC000487107785 331956575 /nfs/dbraw/zinc/95/65/75/331956575.db2.gz IDQVULLXSKWKMX-GFCCVEGCSA-N 0 1 256.324 3.610 20 0 CHADMN C[C@H](NC[C@H]1CCC(C)(C)O1)c1c(F)cccc1F ZINC000488147852 331992130 /nfs/dbraw/zinc/99/21/30/331992130.db2.gz JFHLGNKQQWVWKW-WDEREUQCSA-N 0 1 269.335 3.573 20 0 CHADMN COc1ncccc1CN[C@@H](C)c1c(C)cccc1C ZINC000488264076 331996644 /nfs/dbraw/zinc/99/66/44/331996644.db2.gz NJZMZWYKJMNQGJ-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN COc1cccc(CN(C)Cc2cc3ccc(F)cc3[nH]2)c1 ZINC000488355056 332001765 /nfs/dbraw/zinc/00/17/65/332001765.db2.gz KWNOPPBPALYFAV-UHFFFAOYSA-N 0 1 298.361 3.948 20 0 CHADMN COC[C@H](N[C@H]1CS[C@H](C(C)(C)C)C1)c1ccc(C)o1 ZINC000488440494 332008746 /nfs/dbraw/zinc/00/87/46/332008746.db2.gz JKQVACWSTJBUPJ-IPYPFGDCSA-N 0 1 297.464 3.785 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@@H]2CCc3c2cccc3C)n[nH]1 ZINC000488456530 332011036 /nfs/dbraw/zinc/01/10/36/332011036.db2.gz BNLBKKVVXBWLKH-DETPVDSQSA-N 0 1 298.434 3.965 20 0 CHADMN COc1c(O)cccc1CN[C@H](C)c1cccc(Cl)c1 ZINC000488517591 332015142 /nfs/dbraw/zinc/01/51/42/332015142.db2.gz NGWDBHXONGRRNB-LLVKDONJSA-N 0 1 291.778 3.905 20 0 CHADMN CCN(C[C@@H]1CCCO1)[C@H](C)c1ccccc1Cl ZINC000488639375 332020509 /nfs/dbraw/zinc/02/05/09/332020509.db2.gz FVVUPNUGKOJMON-OLZOCXBDSA-N 0 1 267.800 3.902 20 0 CHADMN CCCN(CC)[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000488789258 332025920 /nfs/dbraw/zinc/02/59/20/332025920.db2.gz DJQWSBCZIOTTLC-CYBMUJFWSA-N 0 1 273.380 3.838 20 0 CHADMN C[C@@H](C(=O)Nc1nc2ccc(F)cc2[nH]1)c1cccs1 ZINC000488936086 332034321 /nfs/dbraw/zinc/03/43/21/332034321.db2.gz LGXONXTWELMBOS-MRVPVSSYSA-N 0 1 289.335 3.506 20 0 CHADMN CCN(CCCO)[C@@H](C)c1cc(Cl)ccc1Cl ZINC000489249672 332044298 /nfs/dbraw/zinc/04/42/98/332044298.db2.gz AGCOQXYHYAYUFA-JTQLQIEISA-N 0 1 276.207 3.759 20 0 CHADMN CN(Cc1csc(Br)c1)[C@H]1CC1(C)C ZINC000489439419 332052711 /nfs/dbraw/zinc/05/27/11/332052711.db2.gz IGRLDENIXCPYAJ-VIFPVBQESA-N 0 1 274.227 3.741 20 0 CHADMN Cc1ccc(NC(=O)C[N@H+](C)C2(C)CCCC2)c(C)c1 ZINC000489896163 332072079 /nfs/dbraw/zinc/07/20/79/332072079.db2.gz DABHJJDTTXQCLW-UHFFFAOYSA-N 0 1 274.408 3.506 20 0 CHADMN Cc1nc2ccc(NC(=O)C[C@H]3C=CCCC3)cc2[nH]1 ZINC000489958713 332074527 /nfs/dbraw/zinc/07/45/27/332074527.db2.gz XLXCTINLOSZKTM-LBPRGKRZSA-N 0 1 269.348 3.556 20 0 CHADMN CCCc1noc(CN2C[C@@H](c3ccc(C)cc3)C[C@H]2C)n1 ZINC000490046769 332078572 /nfs/dbraw/zinc/07/85/72/332078572.db2.gz PWFDXNKDEXXORJ-ZBFHGGJFSA-N 0 1 299.418 3.709 20 0 CHADMN COc1c(O)cccc1CN1CC=C(C(C)(C)C)CC1 ZINC000490587401 332093515 /nfs/dbraw/zinc/09/35/15/332093515.db2.gz IHHYDKYZHZHPNA-UHFFFAOYSA-N 0 1 275.392 3.579 20 0 CHADMN Cc1cc([C@H]2CN(CCC(C)C)CCO2)ccc1F ZINC000491175251 332160755 /nfs/dbraw/zinc/16/07/55/332160755.db2.gz UKBDVPLPXSNFIV-MRXNPFEDSA-N 0 1 265.372 3.554 20 0 CHADMN Fc1cc(CN2CC[C@H](C3CC3)C2)ccc1Br ZINC000491230487 332170429 /nfs/dbraw/zinc/17/04/29/332170429.db2.gz CXKJSHOLQDTZSW-LBPRGKRZSA-N 0 1 298.199 3.820 20 0 CHADMN Cc1ccoc1CNCc1cc2c(cc(C)cc2C)[nH]1 ZINC000491400970 332205044 /nfs/dbraw/zinc/20/50/44/332205044.db2.gz NEOZNZOCAVMACE-UHFFFAOYSA-N 0 1 268.360 3.976 20 0 CHADMN CCCC[N@@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000492107102 332383205 /nfs/dbraw/zinc/38/32/05/332383205.db2.gz DZSCHZXIEQETTO-UHFFFAOYSA-N 0 1 280.318 3.852 20 0 CHADMN CCCCN(C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000492107102 332383207 /nfs/dbraw/zinc/38/32/07/332383207.db2.gz DZSCHZXIEQETTO-UHFFFAOYSA-N 0 1 280.318 3.852 20 0 CHADMN C[C@H](NCc1ccc(Cl)o1)[C@H]1OCCc2sccc21 ZINC000492223093 332387967 /nfs/dbraw/zinc/38/79/67/332387967.db2.gz GYELOWRLGAUWKG-LKFCYVNXSA-N 0 1 297.807 3.787 20 0 CHADMN Cc1ncsc1CC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000172520544 335108505 /nfs/dbraw/zinc/10/85/05/335108505.db2.gz GBMFUCIRQOBARW-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN C[C@@H](C(=O)Nc1cccc(Cl)c1O)c1cccs1 ZINC000172409541 335104760 /nfs/dbraw/zinc/10/47/60/335104760.db2.gz YYDDINBBMCPSBZ-MRVPVSSYSA-N 0 1 281.764 3.849 20 0 CHADMN CCOc1nnc(CN[C@H]2CCC[C@@H]2CCC(C)C)s1 ZINC000493383604 332437891 /nfs/dbraw/zinc/43/78/91/332437891.db2.gz KJXOKRCNIIJXKS-OLZOCXBDSA-N 0 1 297.468 3.631 20 0 CHADMN CO[C@H](c1ccccc1)[C@H](C)N[C@@H](C)c1nc(C)cs1 ZINC000493936317 332458785 /nfs/dbraw/zinc/45/87/85/332458785.db2.gz KNFICTAFIYLUPG-YDHLFZDLSA-N 0 1 290.432 3.878 20 0 CHADMN CCc1nc(C)c(CNC/C(C)=C\c2ccccc2)o1 ZINC000494292767 332469600 /nfs/dbraw/zinc/46/96/00/332469600.db2.gz JBEQXGKROIOUTP-RAXLEYEMSA-N 0 1 270.376 3.739 20 0 CHADMN CC(C)CCc1noc(CN[C@H]2[C@H](C)CCC[C@@H]2C)n1 ZINC000553095193 334360965 /nfs/dbraw/zinc/36/09/65/334360965.db2.gz JWRMSUXAKAMESY-VIKVFOODSA-N 0 1 279.428 3.573 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2c(C)cccc2C)nn1C ZINC000502430176 332658772 /nfs/dbraw/zinc/65/87/72/332658772.db2.gz JZNSKLYYBWBQIZ-CABCVRRESA-N 0 1 271.408 3.757 20 0 CHADMN CC(C)(C)OCc1cc(CN[C@@H]2CCC[C@H]3C[C@]32C)no1 ZINC000502434741 332659565 /nfs/dbraw/zinc/65/95/65/332659565.db2.gz ZWLZVIITKKTVPX-XGWLTEMNSA-N 0 1 292.423 3.658 20 0 CHADMN CC(C)C1CCN([C@@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000502880219 332674872 /nfs/dbraw/zinc/67/48/72/332674872.db2.gz IJFMEUSTLDACAL-ZDUSSCGKSA-N 0 1 299.418 3.502 20 0 CHADMN CC[C@@H](CNCc1nnc(C(C)C)s1)c1ccccc1 ZINC000503048468 332679396 /nfs/dbraw/zinc/67/93/96/332679396.db2.gz XFVAFVYRGXIFFF-ZDUSSCGKSA-N 0 1 289.448 3.945 20 0 CHADMN CCOC[C@H](NCc1ncc(Cl)cc1Cl)C(C)C ZINC000503469598 332690360 /nfs/dbraw/zinc/69/03/60/332690360.db2.gz ZFPUIBSAXUDRBW-ZDUSSCGKSA-N 0 1 291.222 3.539 20 0 CHADMN C[C@@H]1CCCC[C@@]1(C)NCc1nc(Cc2ccccc2)no1 ZINC000308692365 332713283 /nfs/dbraw/zinc/71/32/83/332713283.db2.gz ASZFXOPHOFXBSS-RDTXWAMCSA-N 0 1 299.418 3.719 20 0 CHADMN CSc1cc(Br)ccc1CN1CCCC1 ZINC000505337555 332737473 /nfs/dbraw/zinc/73/74/73/332737473.db2.gz JTCRRHVPWBZHHH-UHFFFAOYSA-N 0 1 286.238 3.767 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000505342588 332737782 /nfs/dbraw/zinc/73/77/82/332737782.db2.gz HQPXTRJQFMZCQT-RYUDHWBXSA-N 0 1 291.826 3.705 20 0 CHADMN COc1ccc(CN2CCC(C)CC2)c(Cl)c1 ZINC000505882068 332756325 /nfs/dbraw/zinc/75/63/25/332756325.db2.gz YKLWDKOPRJTQIW-UHFFFAOYSA-N 0 1 253.773 3.581 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Br)o2)C(C)(C)C1 ZINC000307050569 333012214 /nfs/dbraw/zinc/01/22/14/333012214.db2.gz LVGHABILUUPNOW-VIFPVBQESA-N 0 1 272.186 3.663 20 0 CHADMN C/C(=C/c1ccccc1)CN[C@H](c1nccn1C)C1CC1 ZINC000512880400 332991630 /nfs/dbraw/zinc/99/16/30/332991630.db2.gz UCOBVJVFOGAPIH-AINHQSCGSA-N 0 1 281.403 3.564 20 0 CHADMN CC(C)c1cc(C(=O)N(C)Cc2cc3ccccc3o2)n[nH]1 ZINC000174692876 333005964 /nfs/dbraw/zinc/00/59/64/333005964.db2.gz LLMBVQYSYOMVPO-UHFFFAOYSA-N 0 1 297.358 3.552 20 0 CHADMN CCOc1cccc(C[N@@H+](C)CCc2ccccc2OC)c1 ZINC000513496921 333023004 /nfs/dbraw/zinc/02/30/04/333023004.db2.gz NIDWOFRYABVAST-UHFFFAOYSA-N 0 1 299.414 3.768 20 0 CHADMN CCC[N@H+](Cc1cccc(F)c1F)C[C@H]1CCCCO1 ZINC000513506647 333023482 /nfs/dbraw/zinc/02/34/82/333023482.db2.gz AWJBFVFHLISRLC-CQSZACIVSA-N 0 1 283.362 3.746 20 0 CHADMN CCCN(Cc1cccc(F)c1F)C[C@H]1CCCCO1 ZINC000513506647 333023483 /nfs/dbraw/zinc/02/34/83/333023483.db2.gz AWJBFVFHLISRLC-CQSZACIVSA-N 0 1 283.362 3.746 20 0 CHADMN Cc1ccnc([C@H](C)NCc2ccc(Cl)s2)c1 ZINC000513660752 333030006 /nfs/dbraw/zinc/03/00/06/333030006.db2.gz KRUXKJUBJBQBTN-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1c[nH]nc1C(C)(C)C ZINC000513690737 333032703 /nfs/dbraw/zinc/03/27/03/333032703.db2.gz LOMLNLKZQZULKB-ZDUSSCGKSA-N 0 1 283.419 3.827 20 0 CHADMN C[N@@H+](CCC(F)(F)F)C[C@H]1CCCC(F)(F)C1 ZINC000513904572 333049673 /nfs/dbraw/zinc/04/96/73/333049673.db2.gz YHFOCNQBCNOQCA-VIFPVBQESA-N 0 1 259.262 3.696 20 0 CHADMN CCC[C@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000177255191 333056043 /nfs/dbraw/zinc/05/60/43/333056043.db2.gz YRRCHXQTWYSMPO-VIFPVBQESA-N 0 1 260.175 3.663 20 0 CHADMN Cc1ccc2nc(CNC(=O)C(C)(C)CC(C)C)[nH]c2c1 ZINC000177326763 333057398 /nfs/dbraw/zinc/05/73/98/333057398.db2.gz KLIPYLIOKHOVOU-UHFFFAOYSA-N 0 1 287.407 3.560 20 0 CHADMN CC[C@H](CN[C@@H](C)c1c(F)cccc1Cl)OC ZINC000310466390 333058890 /nfs/dbraw/zinc/05/88/90/333058890.db2.gz GXRCOIAYZQDCPG-VHSXEESVSA-N 0 1 259.752 3.555 20 0 CHADMN CC[C@H](C)CN(CC)Cc1nc(Cc2ccccc2)no1 ZINC000177854520 333064261 /nfs/dbraw/zinc/06/42/61/333064261.db2.gz KGXXSOGEOHPKCH-AWEZNQCLSA-N 0 1 287.407 3.528 20 0 CHADMN Cc1ccoc1CN[C@H](C)c1ccc2c(c1)CCC2 ZINC000311798715 333072589 /nfs/dbraw/zinc/07/25/89/333072589.db2.gz KEPWNDGFXRIQCX-CYBMUJFWSA-N 0 1 255.361 3.928 20 0 CHADMN CC[C@H](C)NC(=O)CN(CC)Cc1ccc2ccccc2c1 ZINC000516747884 333081621 /nfs/dbraw/zinc/08/16/21/333081621.db2.gz AKUFESVVWPBZGH-HNNXBMFYSA-N 0 1 298.430 3.576 20 0 CHADMN C[C@@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000516777205 333082360 /nfs/dbraw/zinc/08/23/60/333082360.db2.gz PXGDNJXTCCLOOH-LLVKDONJSA-N 0 1 281.783 3.803 20 0 CHADMN Cc1ccccc1[C@@H](C)N(Cc1ccn(C)n1)CC(C)C ZINC000516794080 333082763 /nfs/dbraw/zinc/08/27/63/333082763.db2.gz RGKKLDKQPJMAQI-MRXNPFEDSA-N 0 1 285.435 3.948 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2CCC(C)(C)CC(=O)[O-])o1 ZINC000517160410 333093506 /nfs/dbraw/zinc/09/35/06/333093506.db2.gz FOGNTCBEEQWSSJ-CYBMUJFWSA-N 0 1 279.380 3.616 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2ccc(Cl)cn2)C1 ZINC000517274738 333096707 /nfs/dbraw/zinc/09/67/07/333096707.db2.gz IIXAGDDCLRAESI-LBPRGKRZSA-N 0 1 252.789 3.603 20 0 CHADMN CC[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccc(OC)cc1 ZINC000517538933 333101566 /nfs/dbraw/zinc/10/15/66/333101566.db2.gz TYDLYVIVPLIIJG-INIZCTEOSA-N 0 1 295.386 3.812 20 0 CHADMN C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCN(C2CC2)CC1 ZINC000520851451 333106808 /nfs/dbraw/zinc/10/68/08/333106808.db2.gz WLAQNYPGEXGUEU-NSHDSACASA-N 0 1 299.245 3.834 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2c1cnn2C)c1ccccc1OC ZINC000336850313 335121287 /nfs/dbraw/zinc/12/12/87/335121287.db2.gz RCWJTDSVIXMGTM-JKSUJKDBSA-N 0 1 299.418 3.547 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000217990294 333125571 /nfs/dbraw/zinc/12/55/71/333125571.db2.gz XDOMRYDHWLBXEU-GXTWGEPZSA-N 0 1 285.343 3.528 20 0 CHADMN OCC[C@@H](NCc1cccc2ccccc21)c1ccco1 ZINC000185113450 333135742 /nfs/dbraw/zinc/13/57/42/333135742.db2.gz VSTXDQFLTXOVPK-QGZVFWFLSA-N 0 1 281.355 3.646 20 0 CHADMN CCc1nc([C@H](C)N[C@H]2C[C@H](OC(C)C)C2(C)C)cs1 ZINC000185223976 333136991 /nfs/dbraw/zinc/13/69/91/333136991.db2.gz MYVGPBKQAZPHER-UBHSHLNASA-N 0 1 296.480 3.948 20 0 CHADMN c1ccc(-c2cnc(CNCC3CCCCC3)nc2)cc1 ZINC000185877876 333151002 /nfs/dbraw/zinc/15/10/02/333151002.db2.gz HAYNYZLTALGEAN-UHFFFAOYSA-N 0 1 281.403 3.814 20 0 CHADMN CC(C)c1nc([C@@H](C)NCCCOCC2CC2)cs1 ZINC000186215666 333156732 /nfs/dbraw/zinc/15/67/32/333156732.db2.gz MDBQIYYGEXFAHA-GFCCVEGCSA-N 0 1 282.453 3.734 20 0 CHADMN CCC(CC)[C@H](O)CN[C@@H](C)c1csc(C(C)C)n1 ZINC000186333380 333158737 /nfs/dbraw/zinc/15/87/37/333158737.db2.gz STSHOVUOSGMCIU-SMDDNHRTSA-N 0 1 284.469 3.714 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3coc(-c4cccc(F)c4)n3)C[C@@H]21 ZINC000172973826 335125529 /nfs/dbraw/zinc/12/55/29/335125529.db2.gz WUTJUSMNFJHQKI-GASCZTMLSA-N 0 1 286.350 3.569 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@H](CO)CC(C)(C)C)cs1 ZINC000186426043 333160385 /nfs/dbraw/zinc/16/03/85/333160385.db2.gz WFAHDZUYHMQUOY-NEPJUHHUSA-N 0 1 284.469 3.714 20 0 CHADMN CC(C)[C@@H](N[C@H](CCO)c1ccco1)c1ccccc1 ZINC000186525268 333162607 /nfs/dbraw/zinc/16/26/07/333162607.db2.gz OLJOTWZCKULGRV-NVXWUHKLSA-N 0 1 273.376 3.690 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186589112 333163361 /nfs/dbraw/zinc/16/33/61/333163361.db2.gz HDNUCNBKIHNPRO-CYBMUJFWSA-N 0 1 275.392 3.564 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3csc(Cl)c3)ccc12 ZINC000188962093 333176700 /nfs/dbraw/zinc/17/67/00/333176700.db2.gz OJWAWZXSXZNOIG-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN Cc1ccc(CNCc2ccc(Br)o2)c(C)c1 ZINC000189509847 333194022 /nfs/dbraw/zinc/19/40/22/333194022.db2.gz SUYUCUGOZVZNKK-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN Cc1ccc2nc(SC[C@H]3CC[C@H](C)O3)[nH]c2c1 ZINC000190966978 333212766 /nfs/dbraw/zinc/21/27/66/333212766.db2.gz PJDIASRPWRCIOZ-WDEREUQCSA-N 0 1 262.378 3.531 20 0 CHADMN CCc1noc([C@H](C)N[C@@H]2CCC[C@@H]2CCC(C)C)n1 ZINC000191349436 333218543 /nfs/dbraw/zinc/21/85/43/333218543.db2.gz WBLLRBLKYRITSK-BFHYXJOUSA-N 0 1 279.428 3.888 20 0 CHADMN C[C@H](N[C@H]1CCCCC1(C)C)c1nc(C(C)(C)C)no1 ZINC000191572648 333221682 /nfs/dbraw/zinc/22/16/82/333221682.db2.gz KWTPTQBCBJGUEB-RYUDHWBXSA-N 0 1 279.428 3.987 20 0 CHADMN CCCC[C@@H](C)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000191575474 333221788 /nfs/dbraw/zinc/22/17/88/333221788.db2.gz ZXKRXXIZFXEQKK-MNOVXSKESA-N 0 1 253.390 3.596 20 0 CHADMN Clc1cccc(Cl)c1CNCCOCC1CC1 ZINC000224535539 333222152 /nfs/dbraw/zinc/22/21/52/333222152.db2.gz VLVPGUNQZHPRHQ-UHFFFAOYSA-N 0 1 274.191 3.510 20 0 CHADMN CO[C@H]1C[C@@H](N(C)Cc2ccc(Oc3ccccc3)o2)C1 ZINC000522035181 333230979 /nfs/dbraw/zinc/23/09/79/333230979.db2.gz OAENNKPDCPPMGS-AKAXFMLLSA-N 0 1 287.359 3.681 20 0 CHADMN CC[C@H]1CN(CCCOc2cc(C)cc(C)c2)C[C@H](C)O1 ZINC000522083329 333239276 /nfs/dbraw/zinc/23/92/76/333239276.db2.gz OEPMNRQXXDSDNP-IRXDYDNUSA-N 0 1 291.435 3.572 20 0 CHADMN Cc1c([C@@H](C)NCc2ccc(-c3ccccc3)o2)cnn1C ZINC000192948912 333240588 /nfs/dbraw/zinc/24/05/88/333240588.db2.gz HZCBVWDFFAOZOE-CYBMUJFWSA-N 0 1 295.386 3.839 20 0 CHADMN C[C@@H](N[C@H]1COCc2ccccc21)c1ccc(F)c(F)c1 ZINC000225985220 333244188 /nfs/dbraw/zinc/24/41/88/333244188.db2.gz QGDWFFSMIDIHIG-DIFFPNOSSA-N 0 1 289.325 3.887 20 0 CHADMN COC[C@@H](NCc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000193281402 333247026 /nfs/dbraw/zinc/24/70/26/333247026.db2.gz XDFDJDLDBSRTMX-MRXNPFEDSA-N 0 1 293.769 3.956 20 0 CHADMN COc1ncccc1CN[C@@H](c1ccccc1)C1CCC1 ZINC000193425216 333249868 /nfs/dbraw/zinc/24/98/68/333249868.db2.gz QREUVFUUKYUPIC-KRWDZBQOSA-N 0 1 282.387 3.721 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226396942 333259797 /nfs/dbraw/zinc/25/97/97/333259797.db2.gz DLWWKDUEGXAPAB-UKRRQHHQSA-N 0 1 289.419 3.842 20 0 CHADMN Fc1cccc(Cl)c1CCSc1nc(C2CC2)n[nH]1 ZINC000194862721 333278284 /nfs/dbraw/zinc/27/82/84/333278284.db2.gz RDZHPDCGILNRID-UHFFFAOYSA-N 0 1 297.786 3.809 20 0 CHADMN Fc1cccc(Cl)c1CCSc1n[nH]c(C2CC2)n1 ZINC000194862721 333278286 /nfs/dbraw/zinc/27/82/86/333278286.db2.gz RDZHPDCGILNRID-UHFFFAOYSA-N 0 1 297.786 3.809 20 0 CHADMN Cc1c2ccccc2n(C)c1CNCc1ccccc1F ZINC000227516918 333284177 /nfs/dbraw/zinc/28/41/77/333284177.db2.gz IWWWDYJSRPFQGG-UHFFFAOYSA-N 0 1 282.362 3.916 20 0 CHADMN C[C@@H]1CCC[C@H](NC(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000227535682 333285347 /nfs/dbraw/zinc/28/53/47/333285347.db2.gz YRERCEXIKGLHDO-PWSUYJOCSA-N 0 1 281.783 3.744 20 0 CHADMN Cc1ccc([C@@H](N)C(=O)Nc2cccc(C(C)C)c2)cc1 ZINC000228077472 333294263 /nfs/dbraw/zinc/29/42/63/333294263.db2.gz SDWMKIORVXLPAL-QGZVFWFLSA-N 0 1 282.387 3.757 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N1C[C@@H](CC)O[C@@H](C)C1 ZINC000523442291 333327041 /nfs/dbraw/zinc/32/70/41/333327041.db2.gz VHBVYLCJXIFVHR-APHBMKBZSA-N 0 1 265.372 3.776 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)CC(F)(F)F)c(F)c1 ZINC000231791261 333329783 /nfs/dbraw/zinc/32/97/83/333329783.db2.gz WGLKTQABXNHUBR-IUCAKERBSA-N 0 1 279.277 3.826 20 0 CHADMN CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCCC2(CCCCC2)C1 ZINC000523591089 333333695 /nfs/dbraw/zinc/33/36/95/333333695.db2.gz UOLJJBHLWHEJJM-HNNXBMFYSA-N 0 1 294.483 3.726 20 0 CHADMN CCCCc1nc(CN2CCC[C@@H]2CC)cs1 ZINC000523607529 333334039 /nfs/dbraw/zinc/33/40/39/333334039.db2.gz GKSINOIKWUOOJF-ZDUSSCGKSA-N 0 1 252.427 3.860 20 0 CHADMN CCN(CC)[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000302981109 333336483 /nfs/dbraw/zinc/33/64/83/333336483.db2.gz VEYGOIYSCYAZDE-SECBINFHSA-N 0 1 289.206 3.662 20 0 CHADMN C[C@H]1CCCC[C@@H]1CC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000524405650 333361587 /nfs/dbraw/zinc/36/15/87/333361587.db2.gz HOVOINSVNVFBIG-QWHCGFSZSA-N 0 1 298.390 3.627 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000524592623 333367540 /nfs/dbraw/zinc/36/75/40/333367540.db2.gz QOKYHCIRVZCJNX-CQSZACIVSA-N 0 1 287.325 3.538 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C)[C@@H]3C)n[nH]2)cc1 ZINC000524654185 333370176 /nfs/dbraw/zinc/37/01/76/333370176.db2.gz SMRWESJFLMCQND-KGLIPLIRSA-N 0 1 297.402 3.646 20 0 CHADMN CC(C)(C)[C@@H]1CCCN1Cc1nc(Cc2ccccc2)no1 ZINC000524758507 333387465 /nfs/dbraw/zinc/38/74/65/333387465.db2.gz BEVGGAPIEZZZHG-HNNXBMFYSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1ccc(-c2noc(CN3CC[C@@H](CC(C)C)C3)n2)cc1 ZINC000524791543 333388283 /nfs/dbraw/zinc/38/82/83/333388283.db2.gz RTHXBKBOFIAYLP-HNNXBMFYSA-N 0 1 299.418 3.913 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2ncc(-c3cccs3)o2)C1 ZINC000524892780 333392287 /nfs/dbraw/zinc/39/22/87/333392287.db2.gz MXPWEJJKXJVZGS-MNOVXSKESA-N 0 1 262.378 3.633 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H](C)[C@@H]2C[C@H]2C2CC2)no1 ZINC000529549539 333496692 /nfs/dbraw/zinc/49/66/92/333496692.db2.gz ZEWLXPJJXIFOOS-KCXAZCMYSA-N 0 1 297.402 3.569 20 0 CHADMN Fc1ccc(/C=C/CN2CC(Cc3ccco3)C2)cc1F ZINC000529649022 333503658 /nfs/dbraw/zinc/50/36/58/333503658.db2.gz MTXDJHYRJKURBO-HNQUOIGGSA-N 0 1 289.325 3.746 20 0 CHADMN [O-]c1cccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1Cl ZINC000328496585 333533500 /nfs/dbraw/zinc/53/35/00/333533500.db2.gz VBUGNAOWWRJOCL-VXGBXAGGSA-N 0 1 265.784 3.668 20 0 CHADMN COc1ccnc(NCc2ccc(C(F)F)cc2)c1 ZINC000530322866 333541708 /nfs/dbraw/zinc/54/17/08/333541708.db2.gz SBLMUDXESHKEQU-UHFFFAOYSA-N 0 1 264.275 3.640 20 0 CHADMN COc1ccccc1[C@@H](CO)N[C@H](C)c1cc(C)cc(C)c1 ZINC000537981646 333553542 /nfs/dbraw/zinc/55/35/42/333553542.db2.gz UNHNWAHVLUBORI-CRAIPNDOSA-N 0 1 299.414 3.696 20 0 CHADMN CCc1cc(CN[C@H](c2ccc(F)cc2)C2CC2)on1 ZINC000538112159 333574309 /nfs/dbraw/zinc/57/43/09/333574309.db2.gz BVBKCCKAOKNMAH-INIZCTEOSA-N 0 1 274.339 3.617 20 0 CHADMN CC(C)c1noc([C@H](C)N[C@H](C)C2CCCCC2)n1 ZINC000174140060 335148742 /nfs/dbraw/zinc/14/87/42/335148742.db2.gz OXWNZJCFJUFZCY-NEPJUHHUSA-N 0 1 265.401 3.812 20 0 CHADMN CC[C@H](NCc1nc(CCC(C)C)no1)C(C)(C)C ZINC000538392427 333588038 /nfs/dbraw/zinc/58/80/38/333588038.db2.gz FCRHWXSGNHFIDL-LBPRGKRZSA-N 0 1 267.417 3.573 20 0 CHADMN C[C@@H](NCc1cc2ccccc2o1)c1cncs1 ZINC000539094644 333657714 /nfs/dbraw/zinc/65/77/14/333657714.db2.gz YIMQEBAPCZEFBG-SNVBAGLBSA-N 0 1 258.346 3.740 20 0 CHADMN CC(C)COC[C@@H](NC[C@@H](C)C(F)(F)F)c1ccco1 ZINC000541626372 333784854 /nfs/dbraw/zinc/78/48/54/333784854.db2.gz DDGXUJXGFZGCQU-VXGBXAGGSA-N 0 1 293.329 3.781 20 0 CHADMN CCc1ccc([C@H](C)NCc2cccc(OC)n2)cc1 ZINC000070093337 333799149 /nfs/dbraw/zinc/79/91/49/333799149.db2.gz JZOQXXNXNDSIET-ZDUSSCGKSA-N 0 1 270.376 3.503 20 0 CHADMN CC(C)CCCN[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000542477307 333826749 /nfs/dbraw/zinc/82/67/49/333826749.db2.gz GWCJUOMWBCPKPM-KRWDZBQOSA-N 0 1 287.382 3.731 20 0 CHADMN CCc1cnc(CN[C@H]2CCCc3ccccc32)s1 ZINC000130615277 333859044 /nfs/dbraw/zinc/85/90/44/333859044.db2.gz XHEZEBGIGBFIOI-HNNXBMFYSA-N 0 1 272.417 3.873 20 0 CHADMN CC1(CN[C@H](c2ccc(F)cc2)c2cnccn2)CCCC1 ZINC000543423253 333873514 /nfs/dbraw/zinc/87/35/14/333873514.db2.gz OUCKRTMTVFVVJK-QGZVFWFLSA-N 0 1 299.393 3.875 20 0 CHADMN Cc1ccc(-c2nc(CNC3(C4CC4)CC3)co2)cc1 ZINC000543454654 333876130 /nfs/dbraw/zinc/87/61/30/333876130.db2.gz GSBIQGUGMWIGGD-UHFFFAOYSA-N 0 1 268.360 3.682 20 0 CHADMN CC[C@H]1CN(Cc2ccon2)CC[C@@H]1c1ccccc1 ZINC000174884819 335168594 /nfs/dbraw/zinc/16/85/94/335168594.db2.gz XGEJUPDYWGUAHM-YOEHRIQHSA-N 0 1 270.376 3.690 20 0 CHADMN Cc1ncsc1CN[C@H]1CC(C)(C)Cc2occc21 ZINC000132389138 333979129 /nfs/dbraw/zinc/97/91/29/333979129.db2.gz UQFFZYDQVJQLOZ-LBPRGKRZSA-N 0 1 276.405 3.848 20 0 CHADMN CC[C@@H](N[C@H](C)c1c(C)cccc1C)c1ccn(C)n1 ZINC000545519836 333986176 /nfs/dbraw/zinc/98/61/76/333986176.db2.gz PYUKYBNAYXIQFZ-HUUCEWRRSA-N 0 1 271.408 3.839 20 0 CHADMN CC(C)C[C@H]1CCN(Cc2nc(-c3cccs3)no2)C1 ZINC000074994292 334022258 /nfs/dbraw/zinc/02/22/58/334022258.db2.gz JQJTYANTTGXZQN-GFCCVEGCSA-N 0 1 291.420 3.666 20 0 CHADMN C[C@H](c1noc(-c2cccc(-c3nnc[nH]3)c2)n1)C(C)(C)C ZINC000546423094 334031932 /nfs/dbraw/zinc/03/19/32/334031932.db2.gz QTSVIVQEERKJIQ-SNVBAGLBSA-N 0 1 297.362 3.671 20 0 CHADMN Cc1ccc(-c2nc(-c3cc4nc[nH]c4c(C)c3)no2)s1 ZINC000546437544 334032512 /nfs/dbraw/zinc/03/25/12/334032512.db2.gz BMWYMKXEMGHZHR-UHFFFAOYSA-N 0 1 296.355 3.958 20 0 CHADMN CCc1ccc(CN[C@H]2c3ccccc3C[C@H]2C)o1 ZINC000133631119 334048258 /nfs/dbraw/zinc/04/82/58/334048258.db2.gz SXYWJTRQYVFMCF-SJKOYZFVSA-N 0 1 255.361 3.865 20 0 CHADMN Cc1cc(-c2nc(-c3cc4nc[nH]c4c(C)c3)no2)oc1C ZINC000547139823 334068776 /nfs/dbraw/zinc/06/87/76/334068776.db2.gz CDKDCRSOPREBPI-UHFFFAOYSA-N 0 1 294.314 3.798 20 0 CHADMN Cc1ccsc1-c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000547143513 334068946 /nfs/dbraw/zinc/06/89/46/334068946.db2.gz NZSHQKOBSLSPSN-UHFFFAOYSA-N 0 1 296.355 3.958 20 0 CHADMN C[C@H]1CCC[C@@H](Cc2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000547159378 334069945 /nfs/dbraw/zinc/06/99/45/334069945.db2.gz HWRFKTOPJUPPAV-NWDGAFQWSA-N 0 1 296.374 3.982 20 0 CHADMN CCS[C@@H](C)c1noc(-c2cc(-c3ccoc3)n[nH]2)n1 ZINC000547189454 334072213 /nfs/dbraw/zinc/07/22/13/334072213.db2.gz GTFDDSQOZPOBOA-QMMMGPOBSA-N 0 1 290.348 3.534 20 0 CHADMN C[C@@H]1CCCN1Cc1csc(-c2ccccc2F)n1 ZINC000076114904 334073105 /nfs/dbraw/zinc/07/31/05/334073105.db2.gz KRZWCEDZDUTTGR-LLVKDONJSA-N 0 1 276.380 3.934 20 0 CHADMN Cc1ccc(CN(C)C(=O)c2ccc(O)c(Cl)c2)s1 ZINC000076466152 334082062 /nfs/dbraw/zinc/08/20/62/334082062.db2.gz SKFNXLJDVUWJCK-UHFFFAOYSA-N 0 1 295.791 3.688 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H]1COc3ccc(F)cc31)CC2 ZINC000547356131 334083195 /nfs/dbraw/zinc/08/31/95/334083195.db2.gz YFVGPIZXUIQFRV-IRXDYDNUSA-N 0 1 283.346 3.845 20 0 CHADMN CCSc1cccc(CN(C)Cc2cnn(CC)c2)c1 ZINC000547449334 334089502 /nfs/dbraw/zinc/08/95/02/334089502.db2.gz IPGNKDHGWXFHBZ-UHFFFAOYSA-N 0 1 289.448 3.647 20 0 CHADMN CCC[C@H](C)CC(=O)Nc1cccc(Cl)c1O ZINC000077012542 334093441 /nfs/dbraw/zinc/09/34/41/334093441.db2.gz YLHOCOOWKZLGMZ-VIFPVBQESA-N 0 1 255.745 3.810 20 0 CHADMN CC1(C)CCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000134552100 334094919 /nfs/dbraw/zinc/09/49/19/334094919.db2.gz YMOLVBCPKFXJSB-UHFFFAOYSA-N 0 1 289.423 3.720 20 0 CHADMN CS[C@@H]1CCCCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000134551315 334095056 /nfs/dbraw/zinc/09/50/56/334095056.db2.gz FUNZCOCTRGWYKX-GFCCVEGCSA-N 0 1 294.395 3.684 20 0 CHADMN COc1ccccc1-c1nc(C[N@@H+](C)CC2CC2)cs1 ZINC000077194410 334098147 /nfs/dbraw/zinc/09/81/47/334098147.db2.gz ZHYDSKVCEDSJEH-UHFFFAOYSA-N 0 1 288.416 3.661 20 0 CHADMN COc1ccccc1-c1nc(CN(C)CC2CC2)cs1 ZINC000077194410 334098149 /nfs/dbraw/zinc/09/81/49/334098149.db2.gz ZHYDSKVCEDSJEH-UHFFFAOYSA-N 0 1 288.416 3.661 20 0 CHADMN CCOc1cccc(Cl)c1CSc1n[nH]c(CC)n1 ZINC000576242357 335177023 /nfs/dbraw/zinc/17/70/23/335177023.db2.gz XBQMFBRAPYYBEO-UHFFFAOYSA-N 0 1 297.811 3.712 20 0 CHADMN CCOc1cccc(Cl)c1CSc1nc(CC)n[nH]1 ZINC000576242357 335177024 /nfs/dbraw/zinc/17/70/24/335177024.db2.gz XBQMFBRAPYYBEO-UHFFFAOYSA-N 0 1 297.811 3.712 20 0 CHADMN C[C@H](N[C@@H]1CCO[C@@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000135294434 334123917 /nfs/dbraw/zinc/12/39/17/334123917.db2.gz PTIOUCAKUWGTQI-HHURGBBESA-N 0 1 292.181 3.961 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CCC[C@H]([C@H](C)O)C1 ZINC000547833804 334125064 /nfs/dbraw/zinc/12/50/64/334125064.db2.gz LDULALABYQFRLW-WOPDTQHZSA-N 0 1 285.790 3.633 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)N3CCCCC3)n2)ccc1F ZINC000078453302 334133877 /nfs/dbraw/zinc/13/38/77/334133877.db2.gz CDINPRDJGURLBT-GFCCVEGCSA-N 0 1 289.354 3.731 20 0 CHADMN C[C@H]1CCC[C@H](N(C)Cc2nc(-c3cccs3)no2)C1 ZINC000078529292 334135437 /nfs/dbraw/zinc/13/54/37/334135437.db2.gz LSIKMPAEKANARI-RYUDHWBXSA-N 0 1 291.420 3.809 20 0 CHADMN C[C@@H]1C[C@@H](C)N1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000548096390 334139664 /nfs/dbraw/zinc/13/96/64/334139664.db2.gz OXKQGJPSBWUYIH-GHMZBOCLSA-N 0 1 276.767 3.978 20 0 CHADMN C[C@@H](c1ncc(-c2ccccc2)o1)N1[C@H](C)C[C@@H]1C ZINC000548097426 334139746 /nfs/dbraw/zinc/13/97/46/334139746.db2.gz AWGDRNBABUIMKY-XQQFMLRXSA-N 0 1 256.349 3.885 20 0 CHADMN Clc1ccc(C2(NCc3cncs3)CCC2)cc1 ZINC000135989112 334143227 /nfs/dbraw/zinc/14/32/27/334143227.db2.gz ICBIHNKQVQNTEQ-UHFFFAOYSA-N 0 1 278.808 3.966 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000548158670 334143725 /nfs/dbraw/zinc/14/37/25/334143725.db2.gz CXAGOGBDMDLVIR-MRXNPFEDSA-N 0 1 291.398 3.861 20 0 CHADMN Cc1cccc(CC(=O)Nc2cc(F)cc(Cl)c2O)c1 ZINC000548434293 334156374 /nfs/dbraw/zinc/15/63/74/334156374.db2.gz FOBZRVZOIYULGZ-UHFFFAOYSA-N 0 1 293.725 3.674 20 0 CHADMN Cc1cc(OCc2cccc(OC(F)F)c2)cc(C)n1 ZINC000548469882 334158483 /nfs/dbraw/zinc/15/84/83/334158483.db2.gz RBKSIJKPXAOGBY-UHFFFAOYSA-N 0 1 279.286 3.879 20 0 CHADMN Cc1cc(OCc2ccn(C3CCCC3)n2)cc(C)n1 ZINC000548469894 334158549 /nfs/dbraw/zinc/15/85/49/334158549.db2.gz WJLMSYPGAAKXMM-UHFFFAOYSA-N 0 1 271.364 3.589 20 0 CHADMN Cc1cc(NC(=O)[C@@H]2CCCc3[nH]ncc32)ccc1C1CC1 ZINC000548473339 334158878 /nfs/dbraw/zinc/15/88/78/334158878.db2.gz LQBLJUZEQQKHHR-OAHLLOKOSA-N 0 1 295.386 3.654 20 0 CHADMN Cc1ccccc1[C@H](CO)NCc1cc(F)cc(Cl)c1 ZINC000548587234 334163047 /nfs/dbraw/zinc/16/30/47/334163047.db2.gz HCKBALAOCKWEPU-INIZCTEOSA-N 0 1 293.769 3.611 20 0 CHADMN COC[C@@H](NCc1cccc2[nH]ccc21)c1ccc(C)o1 ZINC000080237592 334168012 /nfs/dbraw/zinc/16/80/12/334168012.db2.gz FPELPZZQHHWVJV-MRXNPFEDSA-N 0 1 284.359 3.547 20 0 CHADMN C[C@H](C(=O)Nc1cccc2ccccc21)N1[C@H](C)C[C@@H]1C ZINC000548754263 334170146 /nfs/dbraw/zinc/17/01/46/334170146.db2.gz MRBCWHYIKDPHQP-HZSPNIEDSA-N 0 1 282.387 3.650 20 0 CHADMN CCC[C@@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000137767570 334178965 /nfs/dbraw/zinc/17/89/65/334178965.db2.gz ZRGZKTROFDNPLY-LLVKDONJSA-N 0 1 281.783 3.698 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000081179685 334180217 /nfs/dbraw/zinc/18/02/17/334180217.db2.gz GYIOBUQPGOEVMU-DOMZBBRYSA-N 0 1 277.412 3.574 20 0 CHADMN CC(C)(CNCc1nc(-c2ccccc2)c[nH]1)C(F)(F)F ZINC000548973548 334181704 /nfs/dbraw/zinc/18/17/04/334181704.db2.gz XVUPJNVDQUQOHZ-UHFFFAOYSA-N 0 1 297.324 3.755 20 0 CHADMN CO[C@@H](C[N@H+]1CCOC(C)(C)[C@H]1C)c1ccc(Cl)cc1 ZINC000549140387 334186319 /nfs/dbraw/zinc/18/63/19/334186319.db2.gz YENIXLSRODAOSM-DOMZBBRYSA-N 0 1 297.826 3.527 20 0 CHADMN CO[C@@H](CN1CCOC(C)(C)[C@H]1C)c1ccc(Cl)cc1 ZINC000549140387 334186320 /nfs/dbraw/zinc/18/63/20/334186320.db2.gz YENIXLSRODAOSM-DOMZBBRYSA-N 0 1 297.826 3.527 20 0 CHADMN CC1(C)SC[C@H]1NCc1cc(C(F)(F)F)ccc1F ZINC000549268900 334189270 /nfs/dbraw/zinc/18/92/70/334189270.db2.gz QPQSAZCPFMDVIA-LLVKDONJSA-N 0 1 293.329 3.828 20 0 CHADMN CC[C@@H]1CN(Cc2ccon2)CC[C@H]1c1ccccc1 ZINC000245411524 334190776 /nfs/dbraw/zinc/19/07/76/334190776.db2.gz XGEJUPDYWGUAHM-RHSMWYFYSA-N 0 1 270.376 3.690 20 0 CHADMN COC(=O)C(C)(C)CCN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000549350218 334191053 /nfs/dbraw/zinc/19/10/53/334191053.db2.gz QCUYVQIBDPLRNN-CQSZACIVSA-N 0 1 295.810 3.676 20 0 CHADMN CCN(Cc1nc([C@@H](C)OCC(C)C)no1)[C@H](C)C(C)C ZINC000245499746 334198022 /nfs/dbraw/zinc/19/80/22/334198022.db2.gz YTESCSKBGKWCBS-ZIAGYGMSSA-N 0 1 297.443 3.670 20 0 CHADMN CC[C@H]1CN([C@H](C)c2nc3ccccc3o2)CCS1 ZINC000245548202 334202857 /nfs/dbraw/zinc/20/28/57/334202857.db2.gz NIDYFEKGWBENAQ-NEPJUHHUSA-N 0 1 276.405 3.716 20 0 CHADMN CC1(C)C[N@H+]([C@@H]2C=CCCCCC2)[C@@H]1[C@@H]1CCCO1 ZINC000549717951 334202905 /nfs/dbraw/zinc/20/29/05/334202905.db2.gz LZEJCRYCPPJESH-OWCLPIDISA-N 0 1 263.425 3.765 20 0 CHADMN COc1ccc(F)c(CNc2cc3c(cn2)CCCC3)c1 ZINC000549823002 334206085 /nfs/dbraw/zinc/20/60/85/334206085.db2.gz MCUJSQCHOMYEDM-UHFFFAOYSA-N 0 1 286.350 3.720 20 0 CHADMN C[C@@H]1CCN(Cc2cccc3nccn32)[C@@H](c2ccco2)C1 ZINC000245638860 334209628 /nfs/dbraw/zinc/20/96/28/334209628.db2.gz CVTNFXIJYRRHCK-GDBMZVCRSA-N 0 1 295.386 3.901 20 0 CHADMN CC(C)(C)c1n[nH]cc1CN1CCS[C@@H]2CCCC[C@H]21 ZINC000245705160 334213909 /nfs/dbraw/zinc/21/39/09/334213909.db2.gz DYJSTMQSWRSKGQ-ZIAGYGMSSA-N 0 1 293.480 3.567 20 0 CHADMN Cc1nc([C@](C)(NC[C@H](C)C2CCCCC2)C2CC2)no1 ZINC000550139064 334214258 /nfs/dbraw/zinc/21/42/58/334214258.db2.gz QEODBUJCNHCTIV-YVEFUNNKSA-N 0 1 291.439 3.809 20 0 CHADMN c1coc([C@H]2CN([C@@H]3CCCc4ccccc43)CCO2)c1 ZINC000246975492 334273108 /nfs/dbraw/zinc/27/31/08/334273108.db2.gz PKQQGNXQDBZKSO-SJLPKXTDSA-N 0 1 283.371 3.731 20 0 CHADMN CC[C@@H](C)CN(CC)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000245779976 334219193 /nfs/dbraw/zinc/21/91/93/334219193.db2.gz LZQFWDQZQWIFFL-VXGBXAGGSA-N 0 1 267.417 3.796 20 0 CHADMN Fc1cc(CN[C@@H]2CCC[C@@H]2F)cc(C(F)(F)F)c1 ZINC000550321383 334220104 /nfs/dbraw/zinc/22/01/04/334220104.db2.gz VFWZDCKKLDEDLB-NWDGAFQWSA-N 0 1 279.252 3.825 20 0 CHADMN CCCCOc1ccccc1CN[C@H]1CCC[C@H]1F ZINC000550321255 334220182 /nfs/dbraw/zinc/22/01/82/334220182.db2.gz LQGSYSALNAANJM-CABCVRRESA-N 0 1 265.372 3.846 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@H](C)c2csc(CC)n2)C1(C)C ZINC000245844401 334221069 /nfs/dbraw/zinc/22/10/69/334221069.db2.gz FEHRRWNUQRLEBX-KGYLQXTDSA-N 0 1 282.453 3.560 20 0 CHADMN CC(C)[C@@]1(CO)CCCN([C@@H](C)c2cc(F)ccc2F)C1 ZINC000550430903 334222160 /nfs/dbraw/zinc/22/21/60/334222160.db2.gz DEFSYRXFJYZBAN-GUYCJALGSA-N 0 1 297.389 3.756 20 0 CHADMN CC1=CC[C@@H](NCc2c(F)cc(F)c(F)c2F)CC1 ZINC000550903646 334233049 /nfs/dbraw/zinc/23/30/49/334233049.db2.gz DDHCWRZMHSUZJW-SECBINFHSA-N 0 1 273.273 3.831 20 0 CHADMN COC[C@@H](N[C@@H]1C=CCCCCC1)c1ccc(C)o1 ZINC000551060125 334237562 /nfs/dbraw/zinc/23/75/62/334237562.db2.gz QOVWODCENBKLRV-HUUCEWRRSA-N 0 1 263.381 3.754 20 0 CHADMN CC(F)(F)CN[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000551240807 334242415 /nfs/dbraw/zinc/24/24/15/334242415.db2.gz HVDADNQAGKTBPH-UONOGXRCSA-N 0 1 253.336 3.643 20 0 CHADMN C[C@H](c1ccco1)N(C)CCC[N@@H+](C)[C@H](C)c1ccco1 ZINC000247071954 334275172 /nfs/dbraw/zinc/27/51/72/334275172.db2.gz SFTWDAJEHOCXFQ-HUUCEWRRSA-N 0 1 290.407 3.949 20 0 CHADMN Fc1ccc2c(c1)OCCC[C@H]2N[C@@H]1CCC[C@@H]1F ZINC000551308655 334246289 /nfs/dbraw/zinc/24/62/89/334246289.db2.gz JOQFSLPQWZQCHT-BFHYXJOUSA-N 0 1 267.319 3.520 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@@H]1CCC[C@@H]1F ZINC000551310136 334246396 /nfs/dbraw/zinc/24/63/96/334246396.db2.gz UVEPPWYMQQFQDY-KWCYVHTRSA-N 0 1 251.345 3.627 20 0 CHADMN CCC1CC(NCc2c(F)cc(F)c(F)c2F)C1 ZINC000551522306 334252421 /nfs/dbraw/zinc/25/24/21/334252421.db2.gz CAAGJOHCALSXKS-UHFFFAOYSA-N 0 1 261.262 3.521 20 0 CHADMN CC(C)(C)CCc1noc(-c2cc(-c3ccoc3)n[nH]2)n1 ZINC000551956924 334267813 /nfs/dbraw/zinc/26/78/13/334267813.db2.gz QLAJGXVYHMEKNQ-UHFFFAOYSA-N 0 1 286.335 3.698 20 0 CHADMN C[C@H](CN1CCO[C@@H](c2ccsc2)C1)c1ccccc1 ZINC000246728051 334268271 /nfs/dbraw/zinc/26/82/71/334268271.db2.gz UFLVXGJMKAMILJ-RHSMWYFYSA-N 0 1 287.428 3.925 20 0 CHADMN CCCOc1ccc(CNc2nccn2CC(C)C)cc1 ZINC000552057562 334282663 /nfs/dbraw/zinc/28/26/63/334282663.db2.gz CCSLHSORTORJSR-UHFFFAOYSA-N 0 1 287.407 3.940 20 0 CHADMN Clc1ccc2ncc(CN3CC[C@H](CC4CC4)C3)n2c1 ZINC000552138560 334293998 /nfs/dbraw/zinc/29/39/98/334293998.db2.gz XIKPYIPURTXCPJ-CYBMUJFWSA-N 0 1 289.810 3.610 20 0 CHADMN CC1(C)CN(Cc2c(F)ccc(O)c2F)[C@@H]2CCC[C@H]21 ZINC000552139452 334294150 /nfs/dbraw/zinc/29/41/50/334294150.db2.gz HYLQUAPHGRIWIM-DGCLKSJQSA-N 0 1 281.346 3.681 20 0 CHADMN CCCC[C@@H]1CCC[C@H]1N[C@H](C)c1nc(C2CC2)no1 ZINC000248398099 334300115 /nfs/dbraw/zinc/30/01/15/334300115.db2.gz MRQBPEPLWHORGK-YRGRVCCFSA-N 0 1 277.412 3.957 20 0 CHADMN C[C@H](c1nc(Cc2ccccc2)no1)N1CCCC[C@@H](C)C1 ZINC000248543390 334305440 /nfs/dbraw/zinc/30/54/40/334305440.db2.gz DAOHXFLULZTACW-HUUCEWRRSA-N 0 1 299.418 3.843 20 0 CHADMN C[C@@H]1CC[C@H](NCc2noc(-c3ccsc3)n2)[C@@H](C)C1 ZINC000248566752 334306465 /nfs/dbraw/zinc/30/64/65/334306465.db2.gz PDZINWVUDPHBGK-MDZLAQPJSA-N 0 1 291.420 3.712 20 0 CHADMN FC(F)(F)C1=CCN(Cc2ccnc3ccccc23)CC1 ZINC000552290895 334313895 /nfs/dbraw/zinc/31/38/95/334313895.db2.gz YIBJYRIHKYWCTL-UHFFFAOYSA-N 0 1 292.304 3.929 20 0 CHADMN Cn1ccc(CN2CCC[C@H](CCCc3ccccc3)C2)n1 ZINC000552326490 334317361 /nfs/dbraw/zinc/31/73/61/334317361.db2.gz SXXCLEBOFLWHOL-SFHVURJKSA-N 0 1 297.446 3.655 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1[C@H](C)CC[C@H]1C ZINC000248928130 334322159 /nfs/dbraw/zinc/32/21/59/334322159.db2.gz LYHPBGQHFHRGQX-GMTAPVOTSA-N 0 1 277.393 3.732 20 0 CHADMN CC(C)COc1ccc(CN2CCC[C@@H]2CF)cc1 ZINC000552390916 334323081 /nfs/dbraw/zinc/32/30/81/334323081.db2.gz OQHYKJHFRJIKCH-OAHLLOKOSA-N 0 1 265.372 3.655 20 0 CHADMN CC[C@@H](c1ccccc1)N1CC[S@](=O)C(CC)(CC)C1 ZINC000249059491 334326284 /nfs/dbraw/zinc/32/62/84/334326284.db2.gz YEBFIYLEAGVLSX-JXFKEZNVSA-N 0 1 293.476 3.761 20 0 CHADMN CC[N@@H+](C[C@H](O)CSC)[C@H](C)c1cc2ccccc2o1 ZINC000249275136 334330930 /nfs/dbraw/zinc/33/09/30/334330930.db2.gz LVOKEACXHSBSOF-OCCSQVGLSA-N 0 1 293.432 3.540 20 0 CHADMN C[C@@H]1CCC[C@H](NCc2nc(Cc3ccccc3)no2)[C@H]1C ZINC000249302578 334331701 /nfs/dbraw/zinc/33/17/01/334331701.db2.gz HWWLNAJHGHECGZ-YCPHGPKFSA-N 0 1 299.418 3.575 20 0 CHADMN C[C@@H]1CCC[C@@H](NCc2nc(Cc3ccccc3)no2)[C@H]1C ZINC000249302576 334331807 /nfs/dbraw/zinc/33/18/07/334331807.db2.gz HWWLNAJHGHECGZ-IJEWVQPXSA-N 0 1 299.418 3.575 20 0 CHADMN O=C(Cc1cccc(F)c1F)Nc1cccc(Cl)c1O ZINC000088375610 334337400 /nfs/dbraw/zinc/33/74/00/334337400.db2.gz PPUBNWGLZRJRGL-UHFFFAOYSA-N 0 1 297.688 3.505 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@@H]1c2ccccc2C[C@H]1O ZINC000249648225 334338563 /nfs/dbraw/zinc/33/85/63/334338563.db2.gz YCEZFWRONDIXJL-BJOOFOGMSA-N 0 1 299.439 3.717 20 0 CHADMN CC(C)C[C@H](C)N1CCc2c3ccccc3[nH]c2C1 ZINC000552625445 334340107 /nfs/dbraw/zinc/34/01/07/334340107.db2.gz UGAPIBGECNZIQZ-ZDUSSCGKSA-N 0 1 256.393 3.961 20 0 CHADMN CCOC[C@@H](C)N[C@H](c1ccccc1)c1ccccc1OC ZINC000089555003 334346641 /nfs/dbraw/zinc/34/66/41/334346641.db2.gz UBWQSVJYPCDMPG-DNVCBOLYSA-N 0 1 299.414 3.799 20 0 CHADMN Cc1cccc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1C ZINC000250995005 334354468 /nfs/dbraw/zinc/35/44/68/334354468.db2.gz DZRPLCRODWWPAM-UAGQMJEPSA-N 0 1 287.403 3.521 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@@H]3CCC[C@@H](C)C3)[nH]c2c1 ZINC000553473715 334386999 /nfs/dbraw/zinc/38/69/99/334386999.db2.gz QCBVQGURBWWOEU-ZYHUDNBSSA-N 0 1 271.364 3.636 20 0 CHADMN C/C(=C\c1ccccc1OC(F)F)CN1CCSCC1 ZINC000555093127 334467947 /nfs/dbraw/zinc/46/79/47/334467947.db2.gz QEGOWSZONPJJSP-ZRDIBKRKSA-N 0 1 299.386 3.740 20 0 CHADMN Cc1nc2cc(NC3CC(C(C)C)C3)ccc2n1C ZINC000555548443 334481320 /nfs/dbraw/zinc/48/13/20/334481320.db2.gz ROZNKENASQWIJM-UHFFFAOYSA-N 0 1 257.381 3.728 20 0 CHADMN Fc1ccc(CN[C@H]2CCC[C@H]2F)c(C(F)(F)F)c1 ZINC000555644264 334485961 /nfs/dbraw/zinc/48/59/61/334485961.db2.gz BMQITUYWMISZMZ-NEPJUHHUSA-N 0 1 279.252 3.825 20 0 CHADMN c1c2cccnc2oc1CNc1cc2c(cn1)CCCC2 ZINC000556165939 334498122 /nfs/dbraw/zinc/49/81/22/334498122.db2.gz CVZRXVWDOHEWSP-UHFFFAOYSA-N 0 1 279.343 3.714 20 0 CHADMN C[C@H](O)[C@@H](N[C@@H](C)c1cccs1)c1ccccc1F ZINC000565955832 334612017 /nfs/dbraw/zinc/61/20/17/334612017.db2.gz VYRKQPMUMSBMAM-ZIBATOQPSA-N 0 1 279.380 3.660 20 0 CHADMN CCN(Cc1nc(C(C)C)n2ccccc12)CC(F)F ZINC000566339632 334643542 /nfs/dbraw/zinc/64/35/42/334643542.db2.gz YSSRTOBJBWMNBT-UHFFFAOYSA-N 0 1 281.350 3.545 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@H]1CCCc2c(F)cccc21 ZINC000566476364 334651493 /nfs/dbraw/zinc/65/14/93/334651493.db2.gz XYLYVMOHZNDZAO-SJCJKPOMSA-N 0 1 285.366 3.652 20 0 CHADMN CSCc1ccc(CNCc2ccc3c(n2)CCC3)cc1 ZINC000567136139 334684042 /nfs/dbraw/zinc/68/40/42/334684042.db2.gz SMQTYTKZCNCTRW-UHFFFAOYSA-N 0 1 298.455 3.723 20 0 CHADMN Cc1cccc([C@H](C)NCc2ncccc2C)c1C ZINC000154625804 334699772 /nfs/dbraw/zinc/69/97/72/334699772.db2.gz SYIYKJBICRBNRV-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNCc2ccc3cnn(C)c3c2)o1 ZINC000567555080 334732545 /nfs/dbraw/zinc/73/25/45/334732545.db2.gz UKEAKEVWANANFZ-BLLLJJGKSA-N 0 1 295.386 3.580 20 0 CHADMN C[C@@H](N[C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccoc1 ZINC000567654287 334746641 /nfs/dbraw/zinc/74/66/41/334746641.db2.gz TXSFNUJLCCREQJ-IAQYHMDHSA-N 0 1 286.375 3.815 20 0 CHADMN C/C(=C/c1ccccc1)CNCc1cn2cc(C)ccc2n1 ZINC000568099167 334791952 /nfs/dbraw/zinc/79/19/52/334791952.db2.gz PPTKMBGNAFCNBT-YBEGLDIGSA-N 0 1 291.398 3.836 20 0 CHADMN COc1ccc(CN2CCC(C)CC2)c(Cl)c1OC ZINC000158869426 334815613 /nfs/dbraw/zinc/81/56/13/334815613.db2.gz BNSQVSCTOZVEEY-UHFFFAOYSA-N 0 1 283.799 3.589 20 0 CHADMN Cc1cccc(CN2CCC(OC(C)C)CC2)c1F ZINC000568949715 334848161 /nfs/dbraw/zinc/84/81/61/334848161.db2.gz JENSDHAQQCXDOS-UHFFFAOYSA-N 0 1 265.372 3.524 20 0 CHADMN CCc1cccc(F)c1CN1CCC(F)(F)[C@H](C)C1 ZINC000576438631 335203562 /nfs/dbraw/zinc/20/35/62/335203562.db2.gz SNOFDQAJOLRXDJ-LLVKDONJSA-N 0 1 271.326 3.865 20 0 CHADMN CC1(C)CCCC[C@H]1NCc1nccc(C(F)(F)F)n1 ZINC000576447699 335204338 /nfs/dbraw/zinc/20/43/38/335204338.db2.gz YSRDYHCLSUEQBY-SNVBAGLBSA-N 0 1 287.329 3.554 20 0 CHADMN Cc1ccc(NC(=O)c2cn[nH]c2C(C)(C)C)cc1Cl ZINC000576448356 335204348 /nfs/dbraw/zinc/20/43/48/335204348.db2.gz SWOYOEXXIHTSGA-UHFFFAOYSA-N 0 1 291.782 3.921 20 0 CHADMN Cc1cc(CN(C)[C@@H](c2ccc(F)cc2)C(C)C)on1 ZINC000576472208 335208720 /nfs/dbraw/zinc/20/87/20/335208720.db2.gz DGMLULWPGJOJTM-MRXNPFEDSA-N 0 1 276.355 3.951 20 0 CHADMN Cc1nnsc1CN1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000576522056 335214379 /nfs/dbraw/zinc/21/43/79/335214379.db2.gz ZFQGUBUXTFWCOV-OAHLLOKOSA-N 0 1 287.432 3.800 20 0 CHADMN CCC(CC)CN(CC)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000576550164 335217907 /nfs/dbraw/zinc/21/79/07/335217907.db2.gz WKPLQBLQPNXYLC-UHFFFAOYSA-N 0 1 299.418 3.975 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@H]1C[C@H]1C1CC1 ZINC000175919869 335217967 /nfs/dbraw/zinc/21/79/67/335217967.db2.gz GYSDIDYMHZETEQ-KBPBESRZSA-N 0 1 295.386 3.815 20 0 CHADMN COc1ccccc1CNC(C)(C)c1ccc(F)c(F)c1 ZINC000175987468 335226235 /nfs/dbraw/zinc/22/62/35/335226235.db2.gz DRFQPVCURWVFTM-UHFFFAOYSA-N 0 1 291.341 3.998 20 0 CHADMN CC(C)CCC[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000576643115 335230112 /nfs/dbraw/zinc/23/01/12/335230112.db2.gz QDEJOQFTDYJZIS-UHFFFAOYSA-N 0 1 283.799 3.663 20 0 CHADMN CCn1ccnc1CN[C@@H]1CCC(C)(C)c2ccccc21 ZINC000344187576 335238648 /nfs/dbraw/zinc/23/86/48/335238648.db2.gz HYPBWBRJBDVKCY-MRXNPFEDSA-N 0 1 283.419 3.805 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1cnn2ccccc12 ZINC000576893783 335261555 /nfs/dbraw/zinc/26/15/55/335261555.db2.gz RSPFWVCNIHNWIK-CQSZACIVSA-N 0 1 295.386 3.502 20 0 CHADMN O=C([O-])c1cc(C[N@@H+](Cc2cccs2)C2CC2)cs1 ZINC000577118292 335303426 /nfs/dbraw/zinc/30/34/26/335303426.db2.gz WSPCDHIEHNJMDG-UHFFFAOYSA-N 0 1 293.413 3.672 20 0 CHADMN CC[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1cccs1 ZINC000345345114 335316470 /nfs/dbraw/zinc/31/64/70/335316470.db2.gz BUUILRSTWXWBIB-SRVKXCTJSA-N 0 1 261.394 3.691 20 0 CHADMN CCN(CCC(C)(C)C)CC(=O)Nc1c(F)cccc1F ZINC000177009835 335353837 /nfs/dbraw/zinc/35/38/37/335353837.db2.gz MWQMYTLUVMYJPO-UHFFFAOYSA-N 0 1 298.377 3.661 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000577499897 335360176 /nfs/dbraw/zinc/36/01/76/335360176.db2.gz KSSBNGLPLGHFOT-TYILLQQXSA-N 0 1 297.398 3.943 20 0 CHADMN Cc1nc(CN(C)[C@H](C)C2(C)CC2)nc2ccccc12 ZINC000177230012 335368640 /nfs/dbraw/zinc/36/86/40/335368640.db2.gz YKMSTTJMHCUSHA-CYBMUJFWSA-N 0 1 269.392 3.559 20 0 CHADMN CC[C@H](Cc1ccccc1)N(CC)Cc1cscn1 ZINC000177521294 335373500 /nfs/dbraw/zinc/37/35/00/335373500.db2.gz NXJVUUMNTZGIGC-MRXNPFEDSA-N 0 1 274.433 3.986 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(CC)Cc1cscn1 ZINC000177521279 335373631 /nfs/dbraw/zinc/37/36/31/335373631.db2.gz NXJVUUMNTZGIGC-INIZCTEOSA-N 0 1 274.433 3.986 20 0 CHADMN CCCC[C@@H](CC)CC[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000577589550 335374374 /nfs/dbraw/zinc/37/43/74/335374374.db2.gz PLWIZNRVXKVTSC-CABCVRRESA-N 0 1 269.429 3.780 20 0 CHADMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc(C(=O)[O-])ccc1Cl ZINC000577642491 335384809 /nfs/dbraw/zinc/38/48/09/335384809.db2.gz IQTQLJADUIVOSC-ZWNOBZJWSA-N 0 1 281.783 3.659 20 0 CHADMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(C(=O)[O-])ccc1Cl ZINC000577642489 335384827 /nfs/dbraw/zinc/38/48/27/335384827.db2.gz IQTQLJADUIVOSC-GXFFZTMASA-N 0 1 281.783 3.659 20 0 CHADMN Cc1nc2ccc(CNC3(CF)CCC3)cc2s1 ZINC000577729603 335393244 /nfs/dbraw/zinc/39/32/44/335393244.db2.gz RGTNKEDGJVQRIW-UHFFFAOYSA-N 0 1 264.369 3.587 20 0 CHADMN Cc1nc(CNCc2c(C)c(C)c(C)c(C)c2C)[nH]c1C ZINC000577769207 335399902 /nfs/dbraw/zinc/39/99/02/335399902.db2.gz DAIMMYSNPKJZAC-UHFFFAOYSA-N 0 1 285.435 3.858 20 0 CHADMN C[C@H]1Oc2ccccc2[C@H]1NCc1cccc(Cl)c1 ZINC000577914504 335420052 /nfs/dbraw/zinc/42/00/52/335420052.db2.gz WSFOAWNGJCTUJI-BZNIZROVSA-N 0 1 273.763 3.952 20 0 CHADMN Cc1cc(C)n(-c2ccccc2CN[C@H](C)c2ccoc2)n1 ZINC000178480261 335434099 /nfs/dbraw/zinc/43/40/99/335434099.db2.gz DBSFVDJWSPHQJP-OAHLLOKOSA-N 0 1 295.386 3.933 20 0 CHADMN CCc1ccccc1C(=O)Nc1cccc(Cl)c1O ZINC000178545403 335437317 /nfs/dbraw/zinc/43/73/17/335437317.db2.gz AYKHBZKSCRKNPY-UHFFFAOYSA-N 0 1 275.735 3.860 20 0 CHADMN CC(C)c1ncc(C(=O)Nc2cccc(Cl)c2O)s1 ZINC000178673499 335444385 /nfs/dbraw/zinc/44/43/85/335444385.db2.gz FKMZRBSEHRNPPR-UHFFFAOYSA-N 0 1 296.779 3.878 20 0 CHADMN CC[C@H](N[C@H](CO)c1ccsc1)c1ccc(F)cc1 ZINC000349414360 335464556 /nfs/dbraw/zinc/46/45/56/335464556.db2.gz NPNNOZAQHXFGBQ-LSDHHAIUSA-N 0 1 279.380 3.662 20 0 CHADMN CC(C)OC1CC(N[C@@H](C)c2c(F)cccc2F)C1 ZINC000349418136 335465772 /nfs/dbraw/zinc/46/57/72/335465772.db2.gz AJKSSUNNOFWWAE-UNXYVOJBSA-N 0 1 269.335 3.571 20 0 CHADMN Cc1ccc(C)c([C@H](C)N[C@@H](c2nccn2C)C2CC2)c1 ZINC000353855482 533714913 /nfs/dbraw/zinc/71/49/13/533714913.db2.gz NHTKWLAARKVZCX-WMLDXEAASA-N 0 1 283.419 3.839 20 0 CHADMN C[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1nccn1C ZINC000182815670 335844934 /nfs/dbraw/zinc/84/49/34/335844934.db2.gz OVCAURNISPVINS-BLLLJJGKSA-N 0 1 287.382 3.751 20 0 CHADMN Cc1cc([C@H](C)NCC(=O)N(C(C)C)C(C)C)c(C)s1 ZINC000182979575 335854617 /nfs/dbraw/zinc/85/46/17/335854617.db2.gz AGRNZQAJAJAFKD-ZDUSSCGKSA-N 0 1 296.480 3.661 20 0 CHADMN C(=Cc1ccccc1)CNCc1nc(-c2ccccc2)c[nH]1 ZINC000194309099 336016300 /nfs/dbraw/zinc/01/63/00/336016300.db2.gz QHVHSFCKNQAEFM-JXMROGBWSA-N 0 1 289.382 3.880 20 0 CHADMN Clc1ccsc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000581298272 336041059 /nfs/dbraw/zinc/04/10/59/336041059.db2.gz TWTUZNCIHSALLH-VXGBXAGGSA-N 0 1 285.840 3.650 20 0 CHADMN C[C@H]1CCCCC[N@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC000381486431 336066436 /nfs/dbraw/zinc/06/64/36/336066436.db2.gz GKEMPEOEPDRPIH-NSHDSACASA-N 0 1 281.783 3.803 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC000381555433 336068288 /nfs/dbraw/zinc/06/82/88/336068288.db2.gz VKOBFLAFXQYNIA-ZDUSSCGKSA-N 0 1 281.783 3.659 20 0 CHADMN COC(=O)c1cccc(CN2CC[C@H](C)[C@@H](C)C2)c1Cl ZINC000381702758 336071094 /nfs/dbraw/zinc/07/10/94/336071094.db2.gz PBBZIHWPDMWMHW-RYUDHWBXSA-N 0 1 295.810 3.605 20 0 CHADMN CCc1cc(CN[C@H]2C[C@H](C)c3ccccc32)on1 ZINC000581512187 336092111 /nfs/dbraw/zinc/09/21/11/336092111.db2.gz QRQFXMRKQYLCGG-ZBEGNZNMSA-N 0 1 256.349 3.575 20 0 CHADMN C[N@H+](Cc1cccc([O-])c1Cl)C1CCCCC1 ZINC000383188892 336106009 /nfs/dbraw/zinc/10/60/09/336106009.db2.gz RHGULVYTWGHJTQ-UHFFFAOYSA-N 0 1 253.773 3.810 20 0 CHADMN C[N@@H+](Cc1cccc([O-])c1Cl)C1CCCCC1 ZINC000383188892 336106011 /nfs/dbraw/zinc/10/60/11/336106011.db2.gz RHGULVYTWGHJTQ-UHFFFAOYSA-N 0 1 253.773 3.810 20 0 CHADMN Cc1nc2cc(NCc3ccsc3C)ccc2n1C ZINC000581680338 336127962 /nfs/dbraw/zinc/12/79/62/336127962.db2.gz PEEKANKVCCFICJ-UHFFFAOYSA-N 0 1 271.389 3.864 20 0 CHADMN FC(F)(F)C1CN(CC/C=C\c2ccccc2)C1 ZINC000581707402 336132520 /nfs/dbraw/zinc/13/25/20/336132520.db2.gz VYEISJZHZSCSIP-YWEYNIOJSA-N 0 1 255.283 3.584 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccccc1 ZINC000385194549 336141802 /nfs/dbraw/zinc/14/18/02/336141802.db2.gz OFNCAMBHJAQRMO-ZDUSSCGKSA-N 0 1 299.370 3.779 20 0 CHADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1CCC1=CCCCC1 ZINC000385219565 336142401 /nfs/dbraw/zinc/14/24/01/336142401.db2.gz RKXNBBHHZBGOQE-QGZVFWFLSA-N 0 1 285.387 3.561 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)CC1(CC(=O)[O-])CC1 ZINC000385240831 336142997 /nfs/dbraw/zinc/14/29/97/336142997.db2.gz ZXHAHJWGNZHSMN-AWEZNQCLSA-N 0 1 287.403 3.542 20 0 CHADMN Cc1ccc(CCC[N@H+]2[C@H](C)CC[C@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000581836175 336150172 /nfs/dbraw/zinc/15/01/72/336150172.db2.gz WLHFRULKQABIMU-VYDXJSESSA-N 0 1 289.419 3.501 20 0 CHADMN C[C@H](O)[C@H](NCc1cccc(C2CC2)c1)c1ccccc1F ZINC000581888340 336160466 /nfs/dbraw/zinc/16/04/66/336160466.db2.gz BIWAKBJBIZBHJL-DJJJIMSYSA-N 0 1 299.389 3.915 20 0 CHADMN C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(O)c(Cl)c1 ZINC000386341026 336171109 /nfs/dbraw/zinc/17/11/09/336171109.db2.gz LMWSUKJNWCEWFQ-JTQLQIEISA-N 0 1 283.799 3.990 20 0 CHADMN CCc1cccc(CNCc2ccc3c(n2)CCCC3)c1 ZINC000581948695 336174964 /nfs/dbraw/zinc/17/49/64/336174964.db2.gz XTKZIFMQHVFBIH-UHFFFAOYSA-N 0 1 280.415 3.813 20 0 CHADMN Cc1nc(CN[C@H](c2ccccc2)C(C)(C)C)[nH]c1C ZINC000581954706 336179126 /nfs/dbraw/zinc/17/91/26/336179126.db2.gz HRTMBLFNSPEIDL-MRXNPFEDSA-N 0 1 271.408 3.904 20 0 CHADMN CCOC[C@H](C)N[C@H](C)c1ccccc1Br ZINC000044688799 520140840 /nfs/dbraw/zinc/14/08/40/520140840.db2.gz MNFHUJSWHZBCKE-WDEREUQCSA-N 0 1 286.213 3.525 20 0 CHADMN CCCN(CC)Cc1nc2ccccc2n1C(F)F ZINC000299366505 521614766 /nfs/dbraw/zinc/61/47/66/521614766.db2.gz FYZCTIBXFYDDHK-UHFFFAOYSA-N 0 1 267.323 3.663 20 0 CHADMN CCSCCN1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000340868643 521707566 /nfs/dbraw/zinc/70/75/66/521707566.db2.gz JWLLWVBCTCCQSJ-JTQLQIEISA-N 0 1 271.376 3.637 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCS[C@@H](C)[C@H]2C)o1 ZINC000353852437 533744358 /nfs/dbraw/zinc/74/43/58/533744358.db2.gz CSUKHCCOYLABID-NMKXLXIOSA-N 0 1 265.422 3.729 20 0 CHADMN COc1ccccc1/C=C/CN1CCC[C@@H]1c1cc(C)no1 ZINC000352096839 533948282 /nfs/dbraw/zinc/94/82/82/533948282.db2.gz KXTZJDFXFSJQBI-CDVVCGDMSA-N 0 1 298.386 3.842 20 0 CHADMN CS[C@@H]1CC[C@@H]1NCc1csc(-c2ccccc2)n1 ZINC000344958057 533992356 /nfs/dbraw/zinc/99/23/56/533992356.db2.gz IQFYYSGFDXEDFQ-UONOGXRCSA-N 0 1 290.457 3.794 20 0 CHADMN C[C@H](N[C@H]1CCCc2c(F)cccc21)c1ccccn1 ZINC000336213404 534002420 /nfs/dbraw/zinc/00/24/20/534002420.db2.gz RCSSYSSFHLZLFU-SJCJKPOMSA-N 0 1 270.351 3.949 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000332627409 534129817 /nfs/dbraw/zinc/12/98/17/534129817.db2.gz OTNDGWJAVDVSTH-ZYHUDNBSSA-N 0 1 271.364 3.636 20 0 CHADMN C[C@H]1OCC[C@]1(C)NCc1csc(-c2cccs2)n1 ZINC000344368526 534130472 /nfs/dbraw/zinc/13/04/72/534130472.db2.gz AXYMJWLAFXIVHB-YGRLFVJLSA-N 0 1 294.445 3.529 20 0 CHADMN C[C@@H]1OCC[C@]1(C)NCc1csc(-c2cccs2)n1 ZINC000344368519 534205485 /nfs/dbraw/zinc/20/54/85/534205485.db2.gz AXYMJWLAFXIVHB-HZMBPMFUSA-N 0 1 294.445 3.529 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1cc(O)ccc1Br ZINC000354992672 534227889 /nfs/dbraw/zinc/22/78/89/534227889.db2.gz MFYILMFDLZUZLX-AOOOYVTPSA-N 0 1 284.197 3.528 20 0 CHADMN COC(=O)c1cccc(Cl)c1CN1CCCC1(C)C ZINC000352012870 534267263 /nfs/dbraw/zinc/26/72/63/534267263.db2.gz GQNHRYZDKXOOAE-UHFFFAOYSA-N 0 1 281.783 3.501 20 0 CHADMN C[C@@]1(NCc2ccncc2F)CCCc2ccccc21 ZINC000336221243 534274660 /nfs/dbraw/zinc/27/46/60/534274660.db2.gz SRYFHYVOBNXWLY-QGZVFWFLSA-N 0 1 270.351 3.562 20 0 CHADMN FC(F)Oc1ccccc1CNc1cc2c(cn1)CCC2 ZINC000339555661 518195940 /nfs/dbraw/zinc/19/59/40/518195940.db2.gz JPSPAOZEPLIOLL-UHFFFAOYSA-N 0 1 290.313 3.784 20 0 CHADMN Cc1ccc2[nH]c(CN(C)[C@@H](C)c3cnn(C)c3)cc2c1C ZINC000351976774 534352029 /nfs/dbraw/zinc/35/20/29/534352029.db2.gz WYIYGZJIEXOCCM-AWEZNQCLSA-N 0 1 296.418 3.711 20 0 CHADMN C/C(=C\c1ccc(F)cc1)c1nc([C@@H](N)CC(C)C)no1 ZINC000339398106 518441889 /nfs/dbraw/zinc/44/18/89/518441889.db2.gz VNZCWBJMUHSTTJ-MARXPDLDSA-N 0 1 289.354 3.815 20 0 CHADMN Cc1nc(CNC[C@H]2SCCc3ccccc32)cs1 ZINC000344756404 534386669 /nfs/dbraw/zinc/38/66/69/534386669.db2.gz INBSCWKEZFLOOB-OAHLLOKOSA-N 0 1 290.457 3.572 20 0 CHADMN CC(C)C[C@@H](N)c1noc(/C=C/C2CCCCC2)n1 ZINC000339395473 519229961 /nfs/dbraw/zinc/22/99/61/519229961.db2.gz SIEJSSSSKNEVRC-MMQHEFTJSA-N 0 1 263.385 3.709 20 0 CHADMN CC(C)C[C@@H](N)c1noc(CC(C)(C)c2ccccc2)n1 ZINC000339397906 519230613 /nfs/dbraw/zinc/23/06/13/519230613.db2.gz UMDZFHIUKXZLSS-CQSZACIVSA-N 0 1 287.407 3.636 20 0 CHADMN C=Cn1cc(CN(Cc2cccc(F)c2)C(C)C)cn1 ZINC000278249139 519321870 /nfs/dbraw/zinc/32/18/70/519321870.db2.gz OZOBDXMCANYZDO-UHFFFAOYSA-N 0 1 273.355 3.533 20 0 CHADMN CC(C)(NCc1ccnc(Cl)c1)c1ccccc1F ZINC000292239826 519323688 /nfs/dbraw/zinc/32/36/88/519323688.db2.gz WOEAUWLOCQQOHV-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H](C)c2ccc(Cl)s2)n1 ZINC000339393247 519378348 /nfs/dbraw/zinc/37/83/48/519378348.db2.gz LWPKDXDWRHNSNS-IUCAKERBSA-N 0 1 299.827 3.982 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@]2(C)CCc3ccccc3C2)n1 ZINC000339386391 519380425 /nfs/dbraw/zinc/38/04/25/519380425.db2.gz VTLKHXJZWKFBEN-YJBOKZPZSA-N 0 1 299.418 3.562 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@]2(C)CCCc3ccccc32)n1 ZINC000339363245 519380467 /nfs/dbraw/zinc/38/04/67/519380467.db2.gz RDWQPGOXTWTRIB-YJBOKZPZSA-N 0 1 299.418 3.758 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2C[C@H]2C2CCCCC2)n1 ZINC000339388775 519381074 /nfs/dbraw/zinc/38/10/74/519381074.db2.gz ALWQMBXEVCDBSB-MJBXVCDLSA-N 0 1 277.412 3.799 20 0 CHADMN CC(C)N(Cc1csc(Cl)n1)C1CCCC1 ZINC000294871250 519663616 /nfs/dbraw/zinc/66/36/16/519663616.db2.gz FBBSRPVMMKVFTG-UHFFFAOYSA-N 0 1 258.818 3.950 20 0 CHADMN CC(=O)Nc1cccc(CN(C)[C@@H](C)c2cccs2)c1 ZINC000101544929 519738422 /nfs/dbraw/zinc/73/84/22/519738422.db2.gz FNSZVRRFAFSPKL-LBPRGKRZSA-N 0 1 288.416 3.900 20 0 CHADMN CC(C)Oc1ccc([C@H](C)NCc2cncc(F)c2)cc1 ZINC000275222259 519781755 /nfs/dbraw/zinc/78/17/55/519781755.db2.gz ULNXJOYMGCJZIH-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)NCc2cncs2)c1 ZINC000054770789 519783373 /nfs/dbraw/zinc/78/33/73/519783373.db2.gz DYTZBRXIPPHJSX-GFCCVEGCSA-N 0 1 276.405 3.781 20 0 CHADMN CC(C)Sc1ccc([C@H](C)NCc2cncn2C)cc1 ZINC000236637223 519788167 /nfs/dbraw/zinc/78/81/67/519788167.db2.gz FRXZPCOEBBJKNR-ZDUSSCGKSA-N 0 1 289.448 3.771 20 0 CHADMN CC(C)[C@@H](C)N(C(=O)c1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC000265440566 519790827 /nfs/dbraw/zinc/79/08/27/519790827.db2.gz KBYFMNGFRPYZJW-CYBMUJFWSA-N 0 1 297.402 3.726 20 0 CHADMN CC(C)c1cc(C(=O)N(C)Cc2ccc(Cl)s2)n[nH]1 ZINC000045030988 519831175 /nfs/dbraw/zinc/83/11/75/519831175.db2.gz MRTWXRBJORRMBO-UHFFFAOYSA-N 0 1 297.811 3.520 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC[C@@H]1C ZINC000076117705 519846178 /nfs/dbraw/zinc/84/61/78/519846178.db2.gz IMCLNLKNCNTHSS-KBPBESRZSA-N 0 1 274.408 3.621 20 0 CHADMN CCC1CCC(N(Cc2ncc(C)cn2)C2CC2)CC1 ZINC000340658006 519853946 /nfs/dbraw/zinc/85/39/46/519853946.db2.gz KMJUCLACAGLYQD-UHFFFAOYSA-N 0 1 273.424 3.718 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cnccc1C)CCCO2 ZINC000334668852 534451764 /nfs/dbraw/zinc/45/17/64/534451764.db2.gz TVAVBTNMKMIAQJ-QGZVFWFLSA-N 0 1 282.387 3.702 20 0 CHADMN CCCC(=CC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1)CCC ZINC000271565687 519861105 /nfs/dbraw/zinc/86/11/05/519861105.db2.gz QQVJGEIPAQPZKR-LBPRGKRZSA-N 0 1 292.427 3.632 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H]2C[C@H](C)c3ccccc32)n[nH]1 ZINC000290286531 519867564 /nfs/dbraw/zinc/86/75/64/519867564.db2.gz MMSJIHAUDQNJDF-HUBLWGQQSA-N 0 1 284.407 3.827 20 0 CHADMN CC(C)n1cc(CNC(C)(C)c2ccccc2F)cn1 ZINC000291798453 519952995 /nfs/dbraw/zinc/95/29/95/519952995.db2.gz WYESVVADIFHTHB-UHFFFAOYSA-N 0 1 275.371 3.628 20 0 CHADMN Fc1ccc(CNCc2cc3ccccc3s2)nc1 ZINC000344920467 534467500 /nfs/dbraw/zinc/46/75/00/534467500.db2.gz PWKNUXPRWVJBIR-UHFFFAOYSA-N 0 1 272.348 3.725 20 0 CHADMN CC(C)n1nccc1CN1CC[C@@H](c2cccc(F)c2)C1 ZINC000279619692 520105092 /nfs/dbraw/zinc/10/50/92/520105092.db2.gz JUYKGSGXGBBAQX-OAHLLOKOSA-N 0 1 287.382 3.593 20 0 CHADMN CC(C)n1nccc1CN[C@@H](C)c1ccc(Cl)cc1 ZINC000279916619 520110577 /nfs/dbraw/zinc/11/05/77/520110577.db2.gz MHKZZTXITXKQFK-LBPRGKRZSA-N 0 1 277.799 3.968 20 0 CHADMN CCCCCC[C@H](C)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268940466 520127438 /nfs/dbraw/zinc/12/74/38/520127438.db2.gz GSBGMKYJFYGMFZ-JSGCOSHPSA-N 0 1 277.412 3.510 20 0 CHADMN Fc1ccc(F)c(C[C@@H]2CCCN2Cc2cncs2)c1 ZINC000418101859 534480695 /nfs/dbraw/zinc/48/06/95/534480695.db2.gz UBIXIYYRPMOZAK-ZDUSSCGKSA-N 0 1 294.370 3.628 20 0 CHADMN CCCCC[C@@H](NCc1cc[nH]n1)c1ccccc1 ZINC000041015437 520294078 /nfs/dbraw/zinc/29/40/78/520294078.db2.gz VPROVCGMTHRLED-MRXNPFEDSA-N 0 1 257.381 3.821 20 0 CHADMN CCO[C@@H](CN[C@@H](C)c1nccs1)c1ccccc1 ZINC000193429264 520312381 /nfs/dbraw/zinc/31/23/81/520312381.db2.gz JNSSOZQBULYZIB-JSGCOSHPSA-N 0 1 276.405 3.572 20 0 CHADMN CCCOc1ccc(CNCc2cnc(C)s2)cc1 ZINC000040443714 520369117 /nfs/dbraw/zinc/36/91/17/520369117.db2.gz HWHFRZNPLNNBQA-UHFFFAOYSA-N 0 1 276.405 3.530 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3c[nH]nc31)CCC2 ZINC000344290315 534502053 /nfs/dbraw/zinc/50/20/53/534502053.db2.gz BTOQBLUYCCFWRN-JKSUJKDBSA-N 0 1 285.366 3.593 20 0 CHADMN Cc1ccc2nc(CNCc3ccc4occc4c3)[nH]c2c1 ZINC000352760970 534503092 /nfs/dbraw/zinc/50/30/92/534503092.db2.gz CANJQVLKRFEBDG-UHFFFAOYSA-N 0 1 291.354 3.907 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@H]1CCCc3c[nH]nc31)CCC2 ZINC000344290311 534503112 /nfs/dbraw/zinc/50/31/12/534503112.db2.gz BTOQBLUYCCFWRN-HOTGVXAUSA-N 0 1 285.366 3.593 20 0 CHADMN CCC[C@@H](NCc1ncccc1N(C)C)c1ccsc1 ZINC000289740583 520784891 /nfs/dbraw/zinc/78/48/91/520784891.db2.gz KPHVMMBELORAIT-CQSZACIVSA-N 0 1 289.448 3.840 20 0 CHADMN CCOc1ccc(C(F)(F)F)cc1NCc1[nH]ncc1C ZINC000289528399 520927343 /nfs/dbraw/zinc/92/73/43/520927343.db2.gz OKTIPNPKZUBVHH-UHFFFAOYSA-N 0 1 299.296 3.748 20 0 CHADMN CCOc1ccc(CNCc2cc(OC)ccc2F)cc1 ZINC000293437055 521004534 /nfs/dbraw/zinc/00/45/34/521004534.db2.gz BRSPPNZAPZHFIC-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN CC1CCN(CCSc2ncccc2Cl)CC1 ZINC000340872456 521016515 /nfs/dbraw/zinc/01/65/15/521016515.db2.gz BMLOOLSZAMRCTG-UHFFFAOYSA-N 0 1 270.829 3.559 20 0 CHADMN CC[N@@H+](CCc1cccs1)Cc1ccc(C(=O)[O-])cc1 ZINC000263565834 521170478 /nfs/dbraw/zinc/17/04/78/521170478.db2.gz FTBYXZMAEQSYMS-UHFFFAOYSA-N 0 1 289.400 3.511 20 0 CHADMN c1sc([C@H]2CN3CCC[C@H]3CO2)nc1C1CCCCC1 ZINC000336632100 534545648 /nfs/dbraw/zinc/54/56/48/534545648.db2.gz HNXASRLBTIUUPQ-DZGCQCFKSA-N 0 1 292.448 3.727 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000076145605 521310535 /nfs/dbraw/zinc/31/05/35/521310535.db2.gz WYLZONAJKRKLNE-MRXNPFEDSA-N 0 1 289.379 3.732 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2ccc(C)o2)c1 ZINC000037678670 521374453 /nfs/dbraw/zinc/37/44/53/521374453.db2.gz GQUDTDYEDYJRTQ-CYBMUJFWSA-N 0 1 259.349 3.838 20 0 CHADMN CCN(Cc1cccnc1)Cc1cccc(Cl)c1 ZINC000263704307 521395311 /nfs/dbraw/zinc/39/53/11/521395311.db2.gz CGXGWYJKUHQNOD-UHFFFAOYSA-N 0 1 260.768 3.757 20 0 CHADMN CCN(Cc1cccs1)Cc1ccc(Cl)nc1 ZINC000042487702 521408319 /nfs/dbraw/zinc/40/83/19/521408319.db2.gz BGXZDJDFXJQJKP-UHFFFAOYSA-N 0 1 266.797 3.819 20 0 CHADMN CCN(Cc1ccncc1)Cc1cnc2ccccc2c1 ZINC000337188493 521422892 /nfs/dbraw/zinc/42/28/92/521422892.db2.gz QVYZGPBKTUHPQK-UHFFFAOYSA-N 0 1 277.371 3.652 20 0 CHADMN CCN(Cc1csc(-c2ccco2)n1)CC1CC1 ZINC000070012081 521442482 /nfs/dbraw/zinc/44/24/82/521442482.db2.gz OSSDPENBRWEAFL-UHFFFAOYSA-N 0 1 262.378 3.635 20 0 CHADMN CCC(CC)(OC)c1noc(-c2ccc(O)c(Cl)c2)n1 ZINC000227833943 521476990 /nfs/dbraw/zinc/47/69/90/521476990.db2.gz GISGUOFVLNEIEC-UHFFFAOYSA-N 0 1 296.754 3.757 20 0 CHADMN CCOc1ccccc1CN[C@H](C)c1cccc(O)c1 ZINC000037150922 521504622 /nfs/dbraw/zinc/50/46/22/521504622.db2.gz SYVOIQCTAFHDFA-CYBMUJFWSA-N 0 1 271.360 3.642 20 0 CHADMN CCOc1ccccc1CN[C@@H](C)c1ccccc1OC ZINC000020096585 521505276 /nfs/dbraw/zinc/50/52/76/521505276.db2.gz HZPTVMWYBIJWGC-AWEZNQCLSA-N 0 1 285.387 3.945 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000086775754 521560756 /nfs/dbraw/zinc/56/07/56/521560756.db2.gz FCZXYCDSPKDSPZ-ZDUSSCGKSA-N 0 1 277.408 3.842 20 0 CHADMN CCCN(CC)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000299400434 521614720 /nfs/dbraw/zinc/61/47/20/521614720.db2.gz VPKCBPRWXZESRL-UHFFFAOYSA-N 0 1 279.771 3.622 20 0 CHADMN CCC(CC)c1cc(-c2nc([C@@H](N)CC(C)C)no2)on1 ZINC000339394199 521626877 /nfs/dbraw/zinc/62/68/77/521626877.db2.gz QDCTXZUISCTNGF-NSHDSACASA-N 0 1 292.383 3.674 20 0 CHADMN CCCN(CCC)Cc1nccn1Cc1ccccc1 ZINC000097205662 521649055 /nfs/dbraw/zinc/64/90/55/521649055.db2.gz LENPFMKFMMEYPZ-UHFFFAOYSA-N 0 1 271.408 3.553 20 0 CHADMN CCCN(Cc1ccc(F)cc1)Cc1ccccn1 ZINC000264309219 521684112 /nfs/dbraw/zinc/68/41/12/521684112.db2.gz XYPPETJVBWIESV-UHFFFAOYSA-N 0 1 258.340 3.633 20 0 CHADMN CCSCC[C@H](C)NCc1ncc(C(F)(F)F)s1 ZINC000278682977 521716427 /nfs/dbraw/zinc/71/64/27/521716427.db2.gz PCWXNKSHPXHFGZ-QMMMGPOBSA-N 0 1 298.399 3.783 20 0 CHADMN Cc1occc1CN[C@H]1CCCOc2c(F)cccc21 ZINC000334834994 534583830 /nfs/dbraw/zinc/58/38/30/534583830.db2.gz CLMULVCKMJRQSN-HNNXBMFYSA-N 0 1 275.323 3.731 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H]2CCCCC2(C)C)n1 ZINC000119826678 521729616 /nfs/dbraw/zinc/72/96/16/521729616.db2.gz YNPFCYARTFDDKF-VXGBXAGGSA-N 0 1 297.468 3.942 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@H]2CCCCC2(C)C)n1 ZINC000119826967 521729683 /nfs/dbraw/zinc/72/96/83/521729683.db2.gz YNPFCYARTFDDKF-NEPJUHHUSA-N 0 1 297.468 3.942 20 0 CHADMN CCSc1ccc([C@@H](C)NCc2conc2C)cc1 ZINC000339241787 521749617 /nfs/dbraw/zinc/74/96/17/521749617.db2.gz RTQKINRXZXMXDS-LLVKDONJSA-N 0 1 276.405 3.946 20 0 CHADMN CCSc1cccc(NC(=O)c2cn[nH]c2C2CC2)c1 ZINC000190431677 521773133 /nfs/dbraw/zinc/77/31/33/521773133.db2.gz ANYNLFCKRNDSOO-UHFFFAOYSA-N 0 1 287.388 3.651 20 0 CHADMN CC[C@@H](C)CN(CC)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000267063777 521983129 /nfs/dbraw/zinc/98/31/29/521983129.db2.gz CDWRUNKQFTXFAR-CYBMUJFWSA-N 0 1 285.391 3.585 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2cccc3[nH]ccc32)n[nH]1 ZINC000277407508 522051084 /nfs/dbraw/zinc/05/10/84/522051084.db2.gz LGFIZBHRCDXYEB-NWDGAFQWSA-N 0 1 297.406 3.650 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2ccccc2F)n[nH]1 ZINC000277094936 522055283 /nfs/dbraw/zinc/05/52/83/522055283.db2.gz GQNIHWIOLFFSAD-SRVKXCTJSA-N 0 1 290.386 3.869 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@@H]2CCc3ccc(C)cc32)n[nH]1 ZINC000277213053 522055744 /nfs/dbraw/zinc/05/57/44/522055744.db2.gz KLOKNXGDSIJLAI-HEHGZKQESA-N 0 1 298.434 3.965 20 0 CHADMN CC[C@@H](C)Oc1cccc(NC(=O)c2cn[nH]c2C2CC2)c1 ZINC000276421002 522272293 /nfs/dbraw/zinc/27/22/93/522272293.db2.gz HEYSJZRKTCNUTL-LLVKDONJSA-N 0 1 299.374 3.717 20 0 CHADMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000263581106 522351385 /nfs/dbraw/zinc/35/13/85/522351385.db2.gz WSXUIGKTSZDUJC-OLZOCXBDSA-N 0 1 275.392 3.784 20 0 CHADMN COC[C@@H](NCc1scnc1C)c1ccc(Cl)cc1 ZINC000278790784 522371457 /nfs/dbraw/zinc/37/14/57/522371457.db2.gz QOWWWLRWVWNCNX-CYBMUJFWSA-N 0 1 296.823 3.582 20 0 CHADMN COc1cc(CN2CCCCC[C@@H]2c2ccco2)ccn1 ZINC000339866057 522373583 /nfs/dbraw/zinc/37/35/83/522373583.db2.gz HZLMCVKDYTWLGZ-OAHLLOKOSA-N 0 1 286.375 3.801 20 0 CHADMN COC(=O)c1coc([C@H](C)N[C@H]2CCCc3ccccc32)c1 ZINC000278242473 522380124 /nfs/dbraw/zinc/38/01/24/522380124.db2.gz LMSUAGWFSQVXCX-LRDDRELGSA-N 0 1 299.370 3.794 20 0 CHADMN CCc1nc([C@H](C)NC2CC(OC(C)(C)C)C2)cs1 ZINC000156473304 522451454 /nfs/dbraw/zinc/45/14/54/522451454.db2.gz VGUOLKUPXJCWPV-UNXYVOJBSA-N 0 1 282.453 3.702 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccccc2Cl)ccn1 ZINC000062057705 522472802 /nfs/dbraw/zinc/47/28/02/522472802.db2.gz MGJMYWBAGGSPKW-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN Clc1ccc(C2(NCc3ccco3)CCOCC2)cc1 ZINC000344354999 534637964 /nfs/dbraw/zinc/63/79/64/534637964.db2.gz RQLZWGWOTDNLDU-UHFFFAOYSA-N 0 1 291.778 3.729 20 0 CHADMN Clc1ccc(C2CCN(Cc3cnccn3)CC2)cc1 ZINC000334718297 534637975 /nfs/dbraw/zinc/63/79/75/534637975.db2.gz JGJTZPGZTNRFLS-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN CCc1ncc(CN(C)[C@H](C)c2ccccc2)s1 ZINC000264518126 522550122 /nfs/dbraw/zinc/55/01/22/522550122.db2.gz DKINGGVRXNRBCH-GFCCVEGCSA-N 0 1 260.406 3.899 20 0 CHADMN CCc1ncc(CNCc2ccc3[nH]c(C)cc3c2)s1 ZINC000353120635 522553665 /nfs/dbraw/zinc/55/36/65/522553665.db2.gz QVYZSWKNBFMGHV-UHFFFAOYSA-N 0 1 285.416 3.785 20 0 CHADMN CC[C@H](NCc1ccc(C)s1)c1nccs1 ZINC000070717230 522645853 /nfs/dbraw/zinc/64/58/53/522645853.db2.gz QXNZYRNGSQIWFI-NSHDSACASA-N 0 1 252.408 3.754 20 0 CHADMN COC1CCC(N(C)Cc2c(F)cccc2Cl)CC1 ZINC000265192766 522684306 /nfs/dbraw/zinc/68/43/06/522684306.db2.gz HQNIHULKWWEPJV-UHFFFAOYSA-N 0 1 285.790 3.869 20 0 CHADMN CC[C@@H](NC(=O)c1[nH]nc(C)c1C)c1ccc(Cl)cc1 ZINC000265233464 522801934 /nfs/dbraw/zinc/80/19/34/522801934.db2.gz OUZPEJIWXFHBRT-CYBMUJFWSA-N 0 1 291.782 3.561 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nc(Cc2ccccc2)no1)C(C)C ZINC000237045367 522915825 /nfs/dbraw/zinc/91/58/25/522915825.db2.gz GUYBPHCYAOIEDX-DZGCQCFKSA-N 0 1 287.407 3.746 20 0 CHADMN CC[C@@H](N[C@H](C)c1cc(C)ccn1)c1c(C)nn(C)c1C ZINC000353526364 522934745 /nfs/dbraw/zinc/93/47/45/522934745.db2.gz AJUNLKDRAIJIJG-IUODEOHRSA-N 0 1 286.423 3.542 20 0 CHADMN CCc1nocc1CN(C)[C@H](CC)c1ccccc1 ZINC000293479015 522934823 /nfs/dbraw/zinc/93/48/23/522934823.db2.gz RRNOCPINAMHIAF-MRXNPFEDSA-N 0 1 258.365 3.820 20 0 CHADMN CCc1nocc1CNCc1cccc(-c2cccnc2)c1 ZINC000339352654 522950095 /nfs/dbraw/zinc/95/00/95/522950095.db2.gz PFZVUPIBLBHFKO-UHFFFAOYSA-N 0 1 293.370 3.589 20 0 CHADMN COCc1ccc(CN(C)[C@H](C)c2ccc(OC)cc2)o1 ZINC000125797843 522969808 /nfs/dbraw/zinc/96/98/08/522969808.db2.gz CQQGTYOYXDDWQF-CYBMUJFWSA-N 0 1 289.375 3.628 20 0 CHADMN COCc1ccc([C@@H]2CCCN2Cc2ccc(F)cc2)o1 ZINC000130760242 523014056 /nfs/dbraw/zinc/01/40/56/523014056.db2.gz OLXBJJFAOHJFHV-INIZCTEOSA-N 0 1 289.350 3.902 20 0 CHADMN COc1cc2c(cc1F)CC[C@H]2NCc1ccccc1F ZINC000281329292 523015036 /nfs/dbraw/zinc/01/50/36/523015036.db2.gz TXCQYTJYYGIMSL-MRXNPFEDSA-N 0 1 289.325 3.751 20 0 CHADMN CC[C@@H](c1cccc(OC)c1)N(C)Cc1cncs1 ZINC000290148946 523094489 /nfs/dbraw/zinc/09/44/89/523094489.db2.gz KXZDMKZYVDUCGU-HNNXBMFYSA-N 0 1 276.405 3.735 20 0 CHADMN CC[C@@H](c1ccccc1)N(CC)Cc1cn2cccnc2n1 ZINC000299380416 523099048 /nfs/dbraw/zinc/09/90/48/523099048.db2.gz HAZBXXDTJMFUCS-KRWDZBQOSA-N 0 1 294.402 3.703 20 0 CHADMN CC[C@H]1CCC[C@H](NC(=O)c2cccc3nc(C)[nH]c32)C1 ZINC000338573751 523139768 /nfs/dbraw/zinc/13/97/68/523139768.db2.gz RUYUVASSPDHTRD-STQMWFEESA-N 0 1 285.391 3.570 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1CCC(C)(C)CC1 ZINC000086725014 523216249 /nfs/dbraw/zinc/21/62/49/523216249.db2.gz NWDBLEXPLQKLJV-UHFFFAOYSA-N 0 1 275.392 3.785 20 0 CHADMN CC[C@@H]1CCC[C@@H](NC(=O)c2sccc2CN(C)C)C1 ZINC000268098344 523278942 /nfs/dbraw/zinc/27/89/42/523278942.db2.gz KHJNBIZDCDIXMM-TZMCWYRMSA-N 0 1 294.464 3.508 20 0 CHADMN CO[C@@H](CN1CC=C(C(F)(F)F)CC1)c1ccccc1 ZINC000338565629 523504677 /nfs/dbraw/zinc/50/46/77/523504677.db2.gz BUSGZAKPQACUBJ-AWEZNQCLSA-N 0 1 285.309 3.569 20 0 CHADMN CCc1cc(NC(=O)c2cccc3cn[nH]c32)ccc1F ZINC000340763116 523818039 /nfs/dbraw/zinc/81/80/39/523818039.db2.gz DTWMORSGFWLVQX-UHFFFAOYSA-N 0 1 283.306 3.517 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(F)c(C)c2)nc1 ZINC000339129599 523919818 /nfs/dbraw/zinc/91/98/18/523919818.db2.gz VJHGUNKBRBVETI-UHFFFAOYSA-N 0 1 272.367 3.724 20 0 CHADMN CCc1ccc(N[C@@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000340315020 523995454 /nfs/dbraw/zinc/99/54/54/523995454.db2.gz RLAAYLNIRRWRBB-AWEZNQCLSA-N 0 1 284.388 3.630 20 0 CHADMN COc1ccc(CN(Cc2n[nH]cc2C)C(C)(C)C)cc1 ZINC000291437009 524015859 /nfs/dbraw/zinc/01/58/59/524015859.db2.gz BQGAHPVYOIQVIG-UHFFFAOYSA-N 0 1 287.407 3.527 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H]2CCc3c2cccc3O)o1 ZINC000130689191 524027358 /nfs/dbraw/zinc/02/73/58/524027358.db2.gz LOCAUURGFXJHEW-ABAIWWIYSA-N 0 1 271.360 3.886 20 0 CHADMN CCc1ccc([C@@H](NCc2snnc2C)C(C)C)cc1 ZINC000293246287 524032828 /nfs/dbraw/zinc/03/28/28/524032828.db2.gz BLRUJEGMNNWXOL-INIZCTEOSA-N 0 1 289.448 3.896 20 0 CHADMN COc1ccc(CN2CC[C@@H](CC(F)(F)F)C2)cc1F ZINC000278887605 524037052 /nfs/dbraw/zinc/03/70/52/524037052.db2.gz UFWXRLKEYKUMSK-NSHDSACASA-N 0 1 291.288 3.609 20 0 CHADMN CCc1ccc([C@H](C)c2nc([C@H](N)CC(C)C)no2)cc1 ZINC000339388957 524047979 /nfs/dbraw/zinc/04/79/79/524047979.db2.gz MDUVONMTERZKHY-SWLSCSKDSA-N 0 1 287.407 3.830 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cccc(F)c2)c(OC)c1 ZINC000020147758 524083453 /nfs/dbraw/zinc/08/34/53/524083453.db2.gz QNQASKUCSZSDJY-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCCCC1 ZINC000070921425 524240813 /nfs/dbraw/zinc/24/08/13/524240813.db2.gz FEWQQPIKBYIAOG-HNNXBMFYSA-N 0 1 288.435 3.931 20 0 CHADMN COc1ccc(F)c(CNCc2cccc3cc[nH]c32)c1 ZINC000339369023 524277754 /nfs/dbraw/zinc/27/77/54/524277754.db2.gz GKSNPBVGYSMOMA-UHFFFAOYSA-N 0 1 284.334 3.605 20 0 CHADMN COc1ccc(F)c(CNCc2ccc(SC)cc2)c1 ZINC000339206253 524279167 /nfs/dbraw/zinc/27/91/67/524279167.db2.gz RELMMVIVPXOMFT-UHFFFAOYSA-N 0 1 291.391 3.846 20 0 CHADMN COc1ccccc1/C=C/CN[C@@H](C)c1ccncc1F ZINC000337954668 524319059 /nfs/dbraw/zinc/31/90/59/524319059.db2.gz RXDXLGFMUJXWIU-IYNGYCSASA-N 0 1 286.350 3.593 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)N[C@H](C)c1ccncc1 ZINC000037089906 524330778 /nfs/dbraw/zinc/33/07/78/524330778.db2.gz PYMULOJJAANQDF-VXGBXAGGSA-N 0 1 274.339 3.641 20 0 CHADMN Cc1cc(C)cc(C2(c3nc([C@H](N)CC(C)C)no3)CC2)c1 ZINC000339397214 524371003 /nfs/dbraw/zinc/37/10/03/524371003.db2.gz QYMNMHXRKNSQFZ-OAHLLOKOSA-N 0 1 299.418 3.812 20 0 CHADMN Cc1cccc(CN(Cc2ccccn2)C2CC2)c1 ZINC000071114819 524382546 /nfs/dbraw/zinc/38/25/46/524382546.db2.gz IPZYLOVPVLVTPD-UHFFFAOYSA-N 0 1 252.361 3.555 20 0 CHADMN Cc1ccc(CN(Cc2ccccn2)C2CC2)cc1F ZINC000290297712 524419272 /nfs/dbraw/zinc/41/92/72/524419272.db2.gz AXYOJSTUWVWISH-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN COc1ccccc1CNCc1ccc(C(F)F)cc1 ZINC000131287945 524487323 /nfs/dbraw/zinc/48/73/23/524487323.db2.gz MNXCEHXSMIYMMV-UHFFFAOYSA-N 0 1 277.314 3.923 20 0 CHADMN C[C@@H]1CCN(Cc2csc(-c3ccco3)n2)[C@H]1C ZINC000248333317 524516786 /nfs/dbraw/zinc/51/67/86/524516786.db2.gz FSLAAMSMHGGXNK-MNOVXSKESA-N 0 1 262.378 3.633 20 0 CHADMN Cc1ccc(CNCc2ccc(Br)s2)cn1 ZINC000057591575 524582406 /nfs/dbraw/zinc/58/24/06/524582406.db2.gz MXRWNQQXMCFBAQ-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN Cc1ccc(CNCc2cc3ccccc3s2)nc1 ZINC000339417486 524583905 /nfs/dbraw/zinc/58/39/05/524583905.db2.gz TXIGZZPQLODVDE-UHFFFAOYSA-N 0 1 268.385 3.895 20 0 CHADMN Cc1ccc(CNCc2ccccc2C(F)(F)F)nc1 ZINC000161737685 524584950 /nfs/dbraw/zinc/58/49/50/524584950.db2.gz AWJUKMPPRFLIRJ-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN C[C@@H]1CC[C@@H](CN2CC[C@@H]2c2ccc(Cl)cc2)O1 ZINC000276400656 524592496 /nfs/dbraw/zinc/59/24/96/524592496.db2.gz CBSNHBKMRFZXKO-BYCMXARLSA-N 0 1 265.784 3.654 20 0 CHADMN Cc1ccc(CN[C@@H](CO)c2ccc(F)cc2)cc1Cl ZINC000277784035 524593875 /nfs/dbraw/zinc/59/38/75/524593875.db2.gz VONVOUGXQZKGHA-INIZCTEOSA-N 0 1 293.769 3.611 20 0 CHADMN Cc1ccc(CN[C@H](CO)c2ccc(F)cc2)cc1Cl ZINC000277784045 524607007 /nfs/dbraw/zinc/60/70/07/524607007.db2.gz VONVOUGXQZKGHA-MRXNPFEDSA-N 0 1 293.769 3.611 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2ncccc2N(C)C)c2ccccc21 ZINC000289973549 524617537 /nfs/dbraw/zinc/61/75/37/524617537.db2.gz XMWBRBVXZXCYFO-RHSMWYFYSA-N 0 1 295.430 3.876 20 0 CHADMN Cc1cc(CN(C)Cc2ccoc2)ccc1Br ZINC000337322059 524664201 /nfs/dbraw/zinc/66/42/01/524664201.db2.gz CUUSMHOVFFSGGE-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN Cc1cc(CN(Cc2cccc(F)c2)C2CCCC2)ncn1 ZINC000292631004 524668593 /nfs/dbraw/zinc/66/85/93/524668593.db2.gz YTDZMQKTVYVUKL-UHFFFAOYSA-N 0 1 299.393 3.869 20 0 CHADMN Cc1cc(CN([C@H](C)c2ccccc2)C2CC2)on1 ZINC000299381318 524671249 /nfs/dbraw/zinc/67/12/49/524671249.db2.gz OCYGHXFTPLGALU-CYBMUJFWSA-N 0 1 256.349 3.709 20 0 CHADMN Cc1cccc(NC[C@H]2CCCO[C@H]2C(C)(C)C)n1 ZINC000157625567 524682424 /nfs/dbraw/zinc/68/24/24/524682424.db2.gz XIEQFYGGEQTLGZ-UKRRQHHQSA-N 0 1 262.397 3.643 20 0 CHADMN Cc1ccc(Cl)c(NC(=O)c2ccc3cncn3c2)c1 ZINC000339909044 524710523 /nfs/dbraw/zinc/71/05/23/524710523.db2.gz IWAGDGWZNGTZLQ-UHFFFAOYSA-N 0 1 285.734 3.548 20 0 CHADMN Cc1cc(CNC2(c3ccc(Cl)cc3)CCC2)ncn1 ZINC000293207679 524753130 /nfs/dbraw/zinc/75/31/30/524753130.db2.gz PGWFRDOVHIOEJS-UHFFFAOYSA-N 0 1 287.794 3.607 20 0 CHADMN Cc1cc(CNCc2ccnn2C(C)C)ccc1Cl ZINC000280063759 524760342 /nfs/dbraw/zinc/76/03/42/524760342.db2.gz YOSJCQHCBXYCBS-UHFFFAOYSA-N 0 1 277.799 3.716 20 0 CHADMN Cc1cc(CN[C@@H]2C[C@H](C(C)C)c3ccccc32)on1 ZINC000278846086 524774784 /nfs/dbraw/zinc/77/47/84/524774784.db2.gz VDTRAOSHGAHNEB-IAGOWNOFSA-N 0 1 270.376 3.957 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(C(F)(F)F)cc2)ncn1 ZINC000292827943 524777499 /nfs/dbraw/zinc/77/74/99/524777499.db2.gz MKVDRUWUCCNRIW-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN Cc1cc(CN[C@H]2CCOc3ccccc32)ccc1F ZINC000050545364 524782924 /nfs/dbraw/zinc/78/29/24/524782924.db2.gz PLLXYMOTEZAPRP-INIZCTEOSA-N 0 1 271.335 3.748 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3c4cc(C)ccc4[nH]c32)on1 ZINC000289367234 524782955 /nfs/dbraw/zinc/78/29/55/524782955.db2.gz ZVEYRADEPFLYMU-KRWDZBQOSA-N 0 1 295.386 3.940 20 0 CHADMN Cc1cc(CN[C@H]2c3ccccc3O[C@@H]2C)cs1 ZINC000296009558 524785711 /nfs/dbraw/zinc/78/57/11/524785711.db2.gz LOMPUUSUIITBBY-IAQYHMDHSA-N 0 1 259.374 3.668 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cnc([C@@H](C)O)s2)c1C ZINC000290314092 524829110 /nfs/dbraw/zinc/82/91/10/524829110.db2.gz IXWKYLWLTYGUBJ-CHWSQXEVSA-N 0 1 290.432 3.664 20 0 CHADMN COc1ccncc1CN[C@@H]1CCc2ccc(Cl)cc21 ZINC000340401598 524857920 /nfs/dbraw/zinc/85/79/20/524857920.db2.gz WQBFVACVCUYULJ-OAHLLOKOSA-N 0 1 288.778 3.521 20 0 CHADMN Cc1csc(CNC[C@H]2SCCc3ccccc32)n1 ZINC000344761649 534814752 /nfs/dbraw/zinc/81/47/52/534814752.db2.gz PLLCYQZUOOAZIJ-CQSZACIVSA-N 0 1 290.457 3.572 20 0 CHADMN Cc1cccc([C@H](C)c2nc([C@@H](N)CC(C)C)no2)c1 ZINC000339368619 524878637 /nfs/dbraw/zinc/87/86/37/524878637.db2.gz WZAJLTMNBURLQT-JSGCOSHPSA-N 0 1 273.380 3.576 20 0 CHADMN COc1ccc(OC)c([C@@H](C)NCc2csc(C)c2)c1 ZINC000292811632 524885398 /nfs/dbraw/zinc/88/53/98/524885398.db2.gz XEOWWRPFXUDYEC-GFCCVEGCSA-N 0 1 291.416 3.925 20 0 CHADMN COc1cncc(CN[C@H](C)c2cc(C)sc2C)c1 ZINC000289976546 524921652 /nfs/dbraw/zinc/92/16/52/524921652.db2.gz QIGBBORZBYSBHI-LLVKDONJSA-N 0 1 276.405 3.619 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN[C@H](CCO)c2ccccc2)o1 ZINC000265828783 524972407 /nfs/dbraw/zinc/97/24/07/524972407.db2.gz CJTVYHRMIACHFO-IAOVAPTHSA-N 0 1 285.387 3.616 20 0 CHADMN COc1ncccc1CN[C@@H](C)c1cccc(Cl)c1 ZINC000037650429 525059763 /nfs/dbraw/zinc/05/97/63/525059763.db2.gz AUPIAKFAKTZLDT-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2scnc2C)cc1 ZINC000125836427 525129353 /nfs/dbraw/zinc/12/93/53/525129353.db2.gz RZYKUNQNCCWUJG-GFCCVEGCSA-N 0 1 276.405 3.653 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccc(C)c2)c(OC)c1 ZINC000020134325 525154066 /nfs/dbraw/zinc/15/40/66/525154066.db2.gz JANFEELKQCFALE-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN Cc1n[nH]c(C)c1CN(Cc1ccccc1F)CC(C)C ZINC000350700366 534839533 /nfs/dbraw/zinc/83/95/33/534839533.db2.gz NNBSHAZGCQENMT-UHFFFAOYSA-N 0 1 289.398 3.824 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2ccc(F)nc2C)cc1 ZINC000278388512 525298997 /nfs/dbraw/zinc/29/89/97/525298997.db2.gz DKGMWQQMKMZDTH-ZDUSSCGKSA-N 0 1 288.366 3.731 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263563209 525352937 /nfs/dbraw/zinc/35/29/37/525352937.db2.gz DEHXIQXTLIQTEH-KCXAZCMYSA-N 0 1 273.376 3.538 20 0 CHADMN Cc1ccccc1[C@@H](CC(C)C)NCc1ccnc(C)n1 ZINC000339257867 525366849 /nfs/dbraw/zinc/36/68/49/525366849.db2.gz IUKXPDMOJJINJD-GOSISDBHSA-N 0 1 283.419 3.970 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CCCCCF)CCO1 ZINC000367446822 525390532 /nfs/dbraw/zinc/39/05/32/525390532.db2.gz HBPKWUIMWZFFBL-INIZCTEOSA-N 0 1 265.372 3.508 20 0 CHADMN CSCCCCC[NH2+]Cc1cccc([O-])c1Cl ZINC000293384837 525426355 /nfs/dbraw/zinc/42/63/55/525426355.db2.gz WLRIIHLMLFOSNO-UHFFFAOYSA-N 0 1 273.829 3.669 20 0 CHADMN C[C@H](NCc1cc(F)ccc1F)c1ccc2c(c1)CCO2 ZINC000060950816 525430289 /nfs/dbraw/zinc/43/02/89/525430289.db2.gz SXJNSXKNFPCCEF-NSHDSACASA-N 0 1 289.325 3.751 20 0 CHADMN C[C@H](NCc1ccc(C2CCC2)cc1)c1cnccn1 ZINC000276846842 525438884 /nfs/dbraw/zinc/43/88/84/525438884.db2.gz DBYVKQCQWXMGMO-ZDUSSCGKSA-N 0 1 267.376 3.595 20 0 CHADMN Cc1ccc(O[C@@H](C)c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000339356860 525461157 /nfs/dbraw/zinc/46/11/57/525461157.db2.gz CIZJSNLJIRJAGM-JSGCOSHPSA-N 0 1 289.379 3.564 20 0 CHADMN C[C@H](NCc1cccn1C)c1ccccc1Br ZINC000049138023 525466020 /nfs/dbraw/zinc/46/60/20/525466020.db2.gz RLOWMSLBPVMMHP-NSHDSACASA-N 0 1 293.208 3.638 20 0 CHADMN C[C@H](NCc1cnc(C(C)(C)C)s1)c1cccnc1 ZINC000059180836 525478509 /nfs/dbraw/zinc/47/85/09/525478509.db2.gz FKEYNDZFWFCVJJ-NSHDSACASA-N 0 1 275.421 3.686 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1csc(-c2ccco2)n1 ZINC000126632495 525526720 /nfs/dbraw/zinc/52/67/20/525526720.db2.gz SEQQQPBXCXHORA-LLVKDONJSA-N 0 1 296.461 3.977 20 0 CHADMN C[C@@H](NCc1ccc2c(n1)CCCC2)c1ccccc1 ZINC000277586869 525532075 /nfs/dbraw/zinc/53/20/75/525532075.db2.gz LASFTYJZVMGNHY-CQSZACIVSA-N 0 1 266.388 3.811 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccco1)c1cccc(C2CC2)c1 ZINC000340362650 525594606 /nfs/dbraw/zinc/59/46/06/525594606.db2.gz QILCNGYUKFNWLE-SUMWQHHRSA-N 0 1 285.387 3.931 20 0 CHADMN COc1ccc2c(c1F)CC[C@H]2N[C@@H](C)c1ccccn1 ZINC000289299068 525608974 /nfs/dbraw/zinc/60/89/74/525608974.db2.gz RWURFLBECFRHJB-XHDPSFHLSA-N 0 1 286.350 3.567 20 0 CHADMN C[C@@H](N[C@@H](C)c1nccs1)[C@@H]1OCCc2sccc21 ZINC000291966847 525624446 /nfs/dbraw/zinc/62/44/46/525624446.db2.gz SSFTXTJUWMAJGB-NRUUGDAUSA-N 0 1 294.445 3.558 20 0 CHADMN COc1ccc2cc(CN(C)Cc3ccccn3)ccc2c1 ZINC000339927428 525626806 /nfs/dbraw/zinc/62/68/06/525626806.db2.gz YBOKZQJSMDHTLA-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)c1 ZINC000338676821 525629902 /nfs/dbraw/zinc/62/99/02/525629902.db2.gz KREAPZKHISWFEI-SMDDNHRTSA-N 0 1 285.391 3.522 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c1cnn2C)c1cc2ccccc2o1 ZINC000122087334 525679544 /nfs/dbraw/zinc/67/95/44/525679544.db2.gz BZHXXACYBZLRNX-DOMZBBRYSA-N 0 1 295.386 3.895 20 0 CHADMN C[C@@H](N[C@H]1COCc2ccccc21)c1cccs1 ZINC000225981085 525693399 /nfs/dbraw/zinc/69/33/99/525693399.db2.gz DTHSPOCXAYNRBW-RISCZKNCSA-N 0 1 259.374 3.670 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](CO)c2cccc(F)c2)s1 ZINC000358175753 525741964 /nfs/dbraw/zinc/74/19/64/525741964.db2.gz MUEJIDHGSXRXET-RISCZKNCSA-N 0 1 279.380 3.580 20 0 CHADMN Cc1ccncc1CNCc1ccccc1N1CCCCC1 ZINC000280313272 525747023 /nfs/dbraw/zinc/74/70/23/525747023.db2.gz OWELGOFARUNLIC-UHFFFAOYSA-N 0 1 295.430 3.670 20 0 CHADMN Cc1ccncc1CN[C@@H]1CCOc2c(Cl)cccc21 ZINC000280055355 525749909 /nfs/dbraw/zinc/74/99/09/525749909.db2.gz WJNXZSJNGSREEI-OAHLLOKOSA-N 0 1 288.778 3.657 20 0 CHADMN Cc1ccc(-c2ccc(CN[C@H](C)c3cnn(C)c3)o2)cc1 ZINC000266157086 525751116 /nfs/dbraw/zinc/75/11/16/525751116.db2.gz MISKQYQQFGZOOI-CQSZACIVSA-N 0 1 295.386 3.839 20 0 CHADMN Cc1ccoc1CN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000266229229 525805338 /nfs/dbraw/zinc/80/53/38/525805338.db2.gz TWIINRBBXVRVBH-ZDUSSCGKSA-N 0 1 298.386 3.787 20 0 CHADMN Cc1ccoc1CN[C@@H]1CC(C)(C)Cc2occc21 ZINC000293269430 525806871 /nfs/dbraw/zinc/80/68/71/525806871.db2.gz CHCGWAMNTZTIPC-CYBMUJFWSA-N 0 1 259.349 3.984 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)N(Cc3nnc(C(C)C)o3)C2)cc1 ZINC000278373553 525846685 /nfs/dbraw/zinc/84/66/85/525846685.db2.gz CCUMQZVTXJAQJP-GDBMZVCRSA-N 0 1 299.418 3.879 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc(F)cn2)cc1C ZINC000269048289 525928758 /nfs/dbraw/zinc/92/87/58/525928758.db2.gz YYXGHMXTDPCFCZ-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc3c(c2)OCCO3)o1 ZINC000036960161 525935951 /nfs/dbraw/zinc/93/59/51/525935951.db2.gz HTUWSUWWHWUZEI-STQMWFEESA-N 0 1 287.359 3.771 20 0 CHADMN Cc1ccc([C@H](N)C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000228074513 525961228 /nfs/dbraw/zinc/96/12/28/525961228.db2.gz FQGWMAGGFQMZMT-KRWDZBQOSA-N 0 1 282.387 3.757 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCc3ccncc3)n2)o1 ZINC000340924248 525963731 /nfs/dbraw/zinc/96/37/31/525963731.db2.gz CGRQEHIGJAGDRQ-PLNGDYQASA-N 0 1 298.371 3.564 20 0 CHADMN Cc1ccc([C@H](NC[C@H]2CCC=CO2)c2ccccn2)cc1 ZINC000279624732 525969932 /nfs/dbraw/zinc/96/99/32/525969932.db2.gz HGCXTPMWYIFAEA-MJGOQNOKSA-N 0 1 294.398 3.762 20 0 CHADMN Cc1cnc(CN(C)[C@@H](c2ccccc2C)C(C)C)nc1 ZINC000340852329 526006313 /nfs/dbraw/zinc/00/63/13/526006313.db2.gz ZJRYHFWUXUZVPU-GOSISDBHSA-N 0 1 283.419 3.923 20 0 CHADMN Cc1cnc(CN2CCCC3(C2)CCCCCC3)nc1 ZINC000340686995 526014440 /nfs/dbraw/zinc/01/44/40/526014440.db2.gz AMJNKVMTUINIMF-UHFFFAOYSA-N 0 1 273.424 3.721 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(C)cc1OCC(F)(F)F ZINC000289424305 526034723 /nfs/dbraw/zinc/03/47/23/526034723.db2.gz CZVFIJMRHOELHT-UHFFFAOYSA-N 0 1 299.296 3.580 20 0 CHADMN COc1cccc(CN[C@H](C)c2cccc(F)c2)c1OC ZINC000020147997 526037440 /nfs/dbraw/zinc/03/74/40/526037440.db2.gz BJIUKGAHFOOUAF-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN Cc1cn[nH]c1CNc1cccc(C(F)(F)F)c1C ZINC000289418745 526037570 /nfs/dbraw/zinc/03/75/70/526037570.db2.gz CHLYOARESHRXJE-UHFFFAOYSA-N 0 1 269.270 3.657 20 0 CHADMN Cc1ccc(C(=O)CCN(Cc2ccncc2)C2CC2)cc1 ZINC000274824639 526042356 /nfs/dbraw/zinc/04/23/56/526042356.db2.gz KSYBUUICSXOZRY-UHFFFAOYSA-N 0 1 294.398 3.627 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000086728210 526042758 /nfs/dbraw/zinc/04/27/58/526042758.db2.gz DLWWKDUEGXAPAB-HIFRSBDPSA-N 0 1 289.419 3.842 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N(C)Cc1ccccn1 ZINC000264276143 526049285 /nfs/dbraw/zinc/04/92/85/526049285.db2.gz NJNDSKHQCTZOMZ-GFCCVEGCSA-N 0 1 260.768 3.928 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@H](n2cccn2)C1 ZINC000291906909 526054107 /nfs/dbraw/zinc/05/41/07/526054107.db2.gz RNBYMUMNKXQADB-YPMHNXCESA-N 0 1 293.773 3.684 20 0 CHADMN CSc1ccc([C@@H](C)NCc2cnoc2C)cc1 ZINC000337231928 526060370 /nfs/dbraw/zinc/06/03/70/526060370.db2.gz XPBNXFFSKSPXRR-SNVBAGLBSA-N 0 1 262.378 3.556 20 0 CHADMN CSc1cccc(NC(=O)c2ccc3cncn3c2)c1C ZINC000340006622 526137463 /nfs/dbraw/zinc/13/74/63/526137463.db2.gz SKYZISWXTDQHPT-UHFFFAOYSA-N 0 1 297.383 3.617 20 0 CHADMN Cc1cc(C(=O)N(CC2CCC2)[C@@H](C)c2ccccc2)n[nH]1 ZINC000156014560 526231324 /nfs/dbraw/zinc/23/13/24/526231324.db2.gz IDFPGNBABNPPBA-AWEZNQCLSA-N 0 1 297.402 3.722 20 0 CHADMN Fc1cc(-c2ccncc2)ccc1CN[C@@H]1CCC[C@@H]1F ZINC000339587756 526293241 /nfs/dbraw/zinc/29/32/41/526293241.db2.gz TUUCLCGFLXKYBC-DOTOQJQBSA-N 0 1 288.341 3.868 20 0 CHADMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](Cc1cccc3ccccc31)C2 ZINC000262107685 526297764 /nfs/dbraw/zinc/29/77/64/526297764.db2.gz IEMRSMHWYJWFMV-QFBILLFUSA-N 0 1 295.382 3.527 20 0 CHADMN Oc1ccc(-c2nc(CCC(F)(F)F)no2)cc1Cl ZINC000094494277 526337488 /nfs/dbraw/zinc/33/74/88/526337488.db2.gz JDEYBIXDKPYTLH-UHFFFAOYSA-N 0 1 292.644 3.591 20 0 CHADMN Fc1ccc(CN[C@@H](c2ccccc2)C2CCC2)nc1 ZINC000276220260 526339889 /nfs/dbraw/zinc/33/98/89/526339889.db2.gz LWTOUBOFMSMYGO-KRWDZBQOSA-N 0 1 270.351 3.852 20 0 CHADMN Fc1ccc(N[C@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000292203879 526355635 /nfs/dbraw/zinc/35/56/35/526355635.db2.gz PQSURLFPWCRYPZ-AWEZNQCLSA-N 0 1 274.343 3.677 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cncs1)CCS2 ZINC000054770707 526372004 /nfs/dbraw/zinc/37/20/04/526372004.db2.gz CWTCNZQSOWJPCQ-LBPRGKRZSA-N 0 1 280.393 3.609 20 0 CHADMN Fc1cccc(Cl)c1CCN1CCOCC2(CCC2)C1 ZINC000353635174 526389771 /nfs/dbraw/zinc/38/97/71/526389771.db2.gz NNXXDDXRMVEDOM-UHFFFAOYSA-N 0 1 297.801 3.524 20 0 CHADMN c1c(CNCc2ccc(C3CCC3)cc2)nc2ccccn12 ZINC000276872804 526399415 /nfs/dbraw/zinc/39/94/15/526399415.db2.gz CUDVMDRCJMKWFZ-UHFFFAOYSA-N 0 1 291.398 3.892 20 0 CHADMN Fc1cccc2c1OCC[C@H]2N[C@H]1CCc2ccccc21 ZINC000364762436 526401958 /nfs/dbraw/zinc/40/19/58/526401958.db2.gz AAKIYVKXOCBLFU-DLBZAZTESA-N 0 1 283.346 3.926 20 0 CHADMN Fc1ccccc1-c1ccc(CNC2CC(F)(F)C2)o1 ZINC000277386395 526404511 /nfs/dbraw/zinc/40/45/11/526404511.db2.gz CWUJJFVVMHETJN-UHFFFAOYSA-N 0 1 281.277 3.973 20 0 CHADMN Cc1nnc([C@H](C)N[C@H](C)C(C)(C)c2ccccc2)s1 ZINC000275199207 526404689 /nfs/dbraw/zinc/40/46/89/526404689.db2.gz FNKCURVBZFUINZ-NWDGAFQWSA-N 0 1 289.448 3.863 20 0 CHADMN Cc1nnc([C@H](C)NCC[C@@H](C)c2ccccc2)s1 ZINC000278526894 526405317 /nfs/dbraw/zinc/40/53/17/526405317.db2.gz TZKRKKCITFFFFR-NEPJUHHUSA-N 0 1 275.421 3.691 20 0 CHADMN c1c[nH]c([C@@H](NCCC2=CCCCC2)c2ccccc2)n1 ZINC000125482111 526407631 /nfs/dbraw/zinc/40/76/31/526407631.db2.gz JLBDFLBIVASSEV-KRWDZBQOSA-N 0 1 281.403 3.979 20 0 CHADMN c1c[nH]c([C@H](NC2CCC3(CC3)CC2)c2ccccc2)n1 ZINC000278835121 526409847 /nfs/dbraw/zinc/40/98/47/526409847.db2.gz ULPOXEUJLSRUJA-MRXNPFEDSA-N 0 1 281.403 3.812 20 0 CHADMN C1CCC(c2noc([C@H]3CCCN3C3CCCC3)n2)C1 ZINC000336524183 526423053 /nfs/dbraw/zinc/42/30/53/526423053.db2.gz ZHNSCVZLABPTMH-CQSZACIVSA-N 0 1 275.396 3.807 20 0 CHADMN c1ccc(-c2nnc(CN3CCC[C@H](C4CC4)C3)s2)cc1 ZINC000289460099 526455274 /nfs/dbraw/zinc/45/52/74/526455274.db2.gz PZXNESHFEPKKTB-HNNXBMFYSA-N 0 1 299.443 3.827 20 0 CHADMN Cc1cscc1CNCc1ccc(Br)o1 ZINC000087309584 526467058 /nfs/dbraw/zinc/46/70/58/526467058.db2.gz RFSICLBHRNDQFM-UHFFFAOYSA-N 0 1 286.194 3.702 20 0 CHADMN c1ccc([C@H](NC[C@H]2CCCS2)c2ccccn2)cc1 ZINC000149625220 526497156 /nfs/dbraw/zinc/49/71/56/526497156.db2.gz HPXZFZLWFOMKOZ-WBVHZDCISA-N 0 1 284.428 3.656 20 0 CHADMN c1cnc2sc(CN3CCC4(CCCC4)CC3)nc2c1 ZINC000341582828 526544379 /nfs/dbraw/zinc/54/43/79/526544379.db2.gz ISFSAVAKUXGXHZ-UHFFFAOYSA-N 0 1 287.432 3.848 20 0 CHADMN Cc1n[nH]cc1CN[C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000265492071 526556700 /nfs/dbraw/zinc/55/67/00/526556700.db2.gz WETMWCPUUVUIAF-SNVBAGLBSA-N 0 1 289.766 3.969 20 0 CHADMN c1csc([C@@H](NC[C@@H]2CCSC2)c2ccccc2)n1 ZINC000278488453 526584091 /nfs/dbraw/zinc/58/40/91/526584091.db2.gz LQTMOBXNSMYONH-JSGCOSHPSA-N 0 1 290.457 3.575 20 0 CHADMN c1nc(CN[C@H]2CCC[C@@H]2c2ccccc2)oc1C1CC1 ZINC000275553771 526600200 /nfs/dbraw/zinc/60/02/00/526600200.db2.gz CQUVQMLRRYEYOO-CVEARBPZSA-N 0 1 282.387 3.978 20 0 CHADMN Cc1nc(C(C)(C)C)sc1[C@H](C)NCc1cccnc1 ZINC000037232262 526661625 /nfs/dbraw/zinc/66/16/25/526661625.db2.gz RXUXSSGSPVHJDJ-NSHDSACASA-N 0 1 289.448 3.995 20 0 CHADMN Cc1nc(C(C)C)oc1C(=O)Nc1cc2cn[nH]c2cc1C ZINC000293052509 526672802 /nfs/dbraw/zinc/67/28/02/526672802.db2.gz FXDFKEPHZYKPLL-UHFFFAOYSA-N 0 1 298.346 3.543 20 0 CHADMN Cc1nocc1CN[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000293507367 526696912 /nfs/dbraw/zinc/69/69/12/526696912.db2.gz HTTPXHKFQSWCLF-HWPZZCPQSA-N 0 1 274.339 3.535 20 0 CHADMN Cc1nc(C)c(CN2CCc3sccc3[C@@H]2C)s1 ZINC000266019700 526718448 /nfs/dbraw/zinc/71/84/48/526718448.db2.gz PNNANNURWOXTND-JTQLQIEISA-N 0 1 278.446 3.941 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN(C)CC1CCC1 ZINC000111299208 526745223 /nfs/dbraw/zinc/74/52/23/526745223.db2.gz BXBIBYRZPJJCQT-UHFFFAOYSA-N 0 1 276.405 3.943 20 0 CHADMN CC(C)(C)c1[nH]ncc1C(=O)Nc1ccccc1Cl ZINC000335927152 526853444 /nfs/dbraw/zinc/85/34/44/526853444.db2.gz PHPPQXHFASDJGZ-UHFFFAOYSA-N 0 1 277.755 3.613 20 0 CHADMN Cc1nc(F)ccc1CN1CCC[C@@H]1c1cccs1 ZINC000278432448 526944683 /nfs/dbraw/zinc/94/46/83/526944683.db2.gz KCSHOXAMZGNMFG-CYBMUJFWSA-N 0 1 276.380 3.928 20 0 CHADMN Cc1nc([C@H](C)NCCCOc2ccc(F)cc2)cs1 ZINC000269420869 527063052 /nfs/dbraw/zinc/06/30/52/527063052.db2.gz LXMYZEHBKWCILJ-NSHDSACASA-N 0 1 294.395 3.710 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)[C@@H](C)c2cccs2)[nH]1 ZINC000338436890 527150722 /nfs/dbraw/zinc/15/07/22/527150722.db2.gz PFFPPBOVSZOSOO-JTQLQIEISA-N 0 1 299.399 3.766 20 0 CHADMN Cc1nc2cccc(C(=O)N3C[C@@H](C)c4ccccc43)c2[nH]1 ZINC000338439492 527152370 /nfs/dbraw/zinc/15/23/70/527152370.db2.gz LYBLQBNBPCLUBK-LLVKDONJSA-N 0 1 291.354 3.635 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3ccc(C)cc3C)c2[nH]1 ZINC000338505199 527154989 /nfs/dbraw/zinc/15/49/89/527154989.db2.gz LVWQZHYCLFRCTR-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@H]3CCCC(C)(C)C3)c2[nH]1 ZINC000338610513 527155768 /nfs/dbraw/zinc/15/57/68/527155768.db2.gz SPTOJBROULUIPC-LBPRGKRZSA-N 0 1 285.391 3.570 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@@H]3CC[C@H]4CCC[C@H]4C3)c2[nH]1 ZINC000338574701 527156024 /nfs/dbraw/zinc/15/60/24/527156024.db2.gz JTLIQOIGXRXBTI-HZSPNIEDSA-N 0 1 297.402 3.570 20 0 CHADMN Cc1ncc(CN(C)[C@H](C)c2ccc(C)cc2)s1 ZINC000098133092 527251840 /nfs/dbraw/zinc/25/18/40/527251840.db2.gz UQMBEEQZBKRCCT-GFCCVEGCSA-N 0 1 260.406 3.953 20 0 CHADMN Cc1nccc(NC[C@@H]2CCCCS2)c1Cl ZINC000309331178 527350560 /nfs/dbraw/zinc/35/05/60/527350560.db2.gz IVMDSUWVPIVZRX-JTQLQIEISA-N 0 1 256.802 3.741 20 0 CHADMN Cn1ccnc1[C@@H](N[C@H]1CCCc2ccc(F)cc21)C1CC1 ZINC000281004199 527454358 /nfs/dbraw/zinc/45/43/58/527454358.db2.gz NTZUWTXTPQBAQN-IRXDYDNUSA-N 0 1 299.393 3.678 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H]1CCCc2sccc21 ZINC000188476453 527455087 /nfs/dbraw/zinc/45/50/87/527455087.db2.gz JYEWFTABGSDBSX-YPMHNXCESA-N 0 1 273.405 3.575 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H]1CCCc2sccc21 ZINC000188476479 527457984 /nfs/dbraw/zinc/45/79/84/527457984.db2.gz JYEWFTABGSDBSX-AAEUAGOBSA-N 0 1 273.405 3.575 20 0 CHADMN FC(F)(F)COCc1ccc(CNCc2ccco2)cc1 ZINC000069676046 527670909 /nfs/dbraw/zinc/67/09/09/527670909.db2.gz SPEZQQQEDBPDAF-UHFFFAOYSA-N 0 1 299.292 3.648 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000087407872 527700200 /nfs/dbraw/zinc/70/02/00/527700200.db2.gz QPUAYKOIULTNRV-WCBMZHEXSA-N 0 1 283.828 3.855 20 0 CHADMN CCC1CCC(N(C)Cc2nc(C(C)C)no2)CC1 ZINC000353436974 527844234 /nfs/dbraw/zinc/84/42/34/527844234.db2.gz CMSPKUJVNKBIJA-UHFFFAOYSA-N 0 1 265.401 3.594 20 0 CHADMN CC(C)c1nc(CN(C[C@H](C)O)C2CCCCC2)cs1 ZINC000353451076 528276909 /nfs/dbraw/zinc/27/69/09/528276909.db2.gz WBBNTSXYBWXJNK-ZDUSSCGKSA-N 0 1 296.480 3.782 20 0 CHADMN CC(C)c1ncc(CN2CCC(C(F)F)CC2)s1 ZINC000353669309 528350392 /nfs/dbraw/zinc/35/03/92/528350392.db2.gz INRGSJAMNBWUAO-UHFFFAOYSA-N 0 1 274.380 3.744 20 0 CHADMN CCCCN(CC)C(=O)CN[C@H](C)c1cc(C)sc1C ZINC000347553730 528385786 /nfs/dbraw/zinc/38/57/86/528385786.db2.gz ULVAPJFBPZAGTR-CYBMUJFWSA-N 0 1 296.480 3.664 20 0 CHADMN CCN(CCC1CC1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000355034336 528428045 /nfs/dbraw/zinc/42/80/45/528428045.db2.gz DAWGQJKTUIUGFF-LBPRGKRZSA-N 0 1 285.391 3.518 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2nccc(OC)c2OC)C1 ZINC000354856238 528502020 /nfs/dbraw/zinc/50/20/20/528502020.db2.gz JGNQMBVONTYZRB-QGZVFWFLSA-N 0 1 292.423 3.501 20 0 CHADMN CCC(C)(C)c1ccc(CN[C@@H](C)c2ccc(=O)[nH]n2)cc1 ZINC000353634170 528604966 /nfs/dbraw/zinc/60/49/66/528604966.db2.gz USCYKLXORHHAIH-ZDUSSCGKSA-N 0 1 299.418 3.721 20 0 CHADMN CCCc1ccc(CN(C)Cc2cccc(C)n2)cc1 ZINC000353751211 528620441 /nfs/dbraw/zinc/62/04/41/528620441.db2.gz JHJLZEKNVJVEBJ-UHFFFAOYSA-N 0 1 268.404 3.975 20 0 CHADMN CC(C)n1nccc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000353648167 528677225 /nfs/dbraw/zinc/67/72/25/528677225.db2.gz ITKBCDIDRLZWMH-HOCLYGCPSA-N 0 1 261.413 3.619 20 0 CHADMN CC(C)[C@@H]1N(Cc2cnc([C@H]3CCCO3)s2)CC1(C)C ZINC000353748864 528812268 /nfs/dbraw/zinc/81/22/68/528812268.db2.gz SHCBZRHSSJVEFZ-KGLIPLIRSA-N 0 1 294.464 3.861 20 0 CHADMN CCC(CC)[C@@H](C)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000353544794 528813201 /nfs/dbraw/zinc/81/32/01/528813201.db2.gz KBMHAZHCILMGSU-SSDOTTSWSA-N 0 1 273.327 3.667 20 0 CHADMN CCN(Cc1ccccc1C)Cc1cccc(O)c1OC ZINC000352718219 528836399 /nfs/dbraw/zinc/83/63/99/528836399.db2.gz JGIXXKINCKUEOY-UHFFFAOYSA-N 0 1 285.387 3.731 20 0 CHADMN CC(C)[NH+](CCN(C)Cc1cccc([O-])c1Cl)C(C)C ZINC000352868506 528900728 /nfs/dbraw/zinc/90/07/28/528900728.db2.gz SPYPNWXEZVTECF-UHFFFAOYSA-N 0 1 298.858 3.596 20 0 CHADMN CC(C)N(Cc1ccccc1)Cc1cncc(F)c1 ZINC000344700231 528950188 /nfs/dbraw/zinc/95/01/88/528950188.db2.gz JNLQANOCLQKCML-UHFFFAOYSA-N 0 1 258.340 3.631 20 0 CHADMN CC(C)[NH+](Cc1nc2c3ccccc3oc2c(=O)[n-]1)C(C)C ZINC000352767409 528964685 /nfs/dbraw/zinc/96/46/85/528964685.db2.gz AXELNNGAUPKDTO-UHFFFAOYSA-N 0 1 299.374 3.700 20 0 CHADMN CCO[C@@H](C)c1noc(CN2CCC[C@H]2CC(C)(C)C)n1 ZINC000347042294 529109498 /nfs/dbraw/zinc/10/94/98/529109498.db2.gz KQVONOYYNZFZCE-STQMWFEESA-N 0 1 295.427 3.568 20 0 CHADMN CC[C@H](c1ccccc1OC)N(C)Cc1cccnc1 ZINC000347543877 529184666 /nfs/dbraw/zinc/18/46/66/529184666.db2.gz RVILQOSCUFXHEG-MRXNPFEDSA-N 0 1 270.376 3.673 20 0 CHADMN CC[C@H]1CCN(Cc2cscc2Br)C1 ZINC000347927387 529238977 /nfs/dbraw/zinc/23/89/77/529238977.db2.gz QGKHJCJRLBLORF-VIFPVBQESA-N 0 1 274.227 3.743 20 0 CHADMN CC[C@@H](NCc1ccccc1N(C)C)c1ccc(F)cn1 ZINC000352846636 529186789 /nfs/dbraw/zinc/18/67/89/529186789.db2.gz BTPBRPAVYUWKLA-OAHLLOKOSA-N 0 1 287.382 3.528 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1ccsc1)c1ccccc1 ZINC000349324301 529201646 /nfs/dbraw/zinc/20/16/46/529201646.db2.gz QBYGHCCZESBALP-CABCVRRESA-N 0 1 261.390 3.522 20 0 CHADMN CC[C@H]1CCCN1Cc1c(Cl)cccc1C(=O)OC ZINC000352013525 529220676 /nfs/dbraw/zinc/22/06/76/529220676.db2.gz JJYKQNXAEQBQTA-NSHDSACASA-N 0 1 281.783 3.501 20 0 CHADMN CCSc1cccc(CN(C)Cc2cccn2C)c1 ZINC000351996151 529249780 /nfs/dbraw/zinc/24/97/80/529249780.db2.gz MXEKBAXRCKONKH-UHFFFAOYSA-N 0 1 274.433 3.769 20 0 CHADMN CC[C@@H]1CCCN1Cc1sc(C)nc1C(F)(F)F ZINC000353537878 529301907 /nfs/dbraw/zinc/30/19/07/529301907.db2.gz FQADQDDVUJKVFO-SECBINFHSA-N 0 1 278.343 3.845 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C(C)C)C1CCCCC1 ZINC000738958120 599810723 /nfs/dbraw/zinc/81/07/23/599810723.db2.gz QLGWZSGKZDVJBC-UHFFFAOYSA-N 0 1 279.380 3.829 20 0 CHADMN Cc1ccc([C@H](C)[N@@H+](C)Cc2cc(C(=O)[O-])co2)c(C)c1 ZINC000738553728 599848012 /nfs/dbraw/zinc/84/80/12/599848012.db2.gz ZGWBMWOWSJFPDV-ZDUSSCGKSA-N 0 1 287.359 3.788 20 0 CHADMN CC(C)C[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000396844063 600089711 /nfs/dbraw/zinc/08/97/11/600089711.db2.gz OFBFTRFYLITDNY-AWEZNQCLSA-N 0 1 279.355 3.534 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000251077975 600367993 /nfs/dbraw/zinc/36/79/93/600367993.db2.gz GWNSCFQFNVDOEY-QWHCGFSZSA-N 0 1 271.360 3.553 20 0 CHADMN C[N@H+](Cc1cccs1)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737494166 600397938 /nfs/dbraw/zinc/39/79/38/600397938.db2.gz MJXNCHIVSVNUGY-ZDUSSCGKSA-N 0 1 295.791 3.659 20 0 CHADMN C[N@@H+](Cc1cccs1)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737494166 600397941 /nfs/dbraw/zinc/39/79/41/600397941.db2.gz MJXNCHIVSVNUGY-ZDUSSCGKSA-N 0 1 295.791 3.659 20 0 CHADMN C[N@@H+](C/C=C\c1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC000312616898 600504644 /nfs/dbraw/zinc/50/46/44/600504644.db2.gz FDESMKXXDDPITC-YVMONPNESA-N 0 1 281.355 3.530 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000083729599 600509237 /nfs/dbraw/zinc/50/92/37/600509237.db2.gz UHNFFZATDHDYNI-ZDUSSCGKSA-N 0 1 279.380 3.544 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccccc1C(=O)[O-] ZINC000048880440 600555923 /nfs/dbraw/zinc/55/59/23/600555923.db2.gz BPQZNHBYGBNCCV-UHFFFAOYSA-N 0 1 289.762 3.670 20 0 CHADMN C[N@@H+](Cc1ccccc1Cl)Cc1ccccc1C(=O)[O-] ZINC000048879109 600555930 /nfs/dbraw/zinc/55/59/30/600555930.db2.gz BKRUBBNYPBYXBB-UHFFFAOYSA-N 0 1 289.762 3.670 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])o2)[C@@H](c2ccco2)C1 ZINC000579842959 600862041 /nfs/dbraw/zinc/86/20/41/600862041.db2.gz SPVSNPPXXCGIQA-WCQYABFASA-N 0 1 289.331 3.544 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000828296394 600862401 /nfs/dbraw/zinc/86/24/01/600862401.db2.gz WQZXBWRIJSLALC-CJNGLKHVSA-N 0 1 299.370 3.951 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000828296396 600862549 /nfs/dbraw/zinc/86/25/49/600862549.db2.gz WQZXBWRIJSLALC-XJKSGUPXSA-N 0 1 299.370 3.951 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000652390718 600968420 /nfs/dbraw/zinc/96/84/20/600968420.db2.gz BHGPUFDTMHCOLL-HIFRSBDPSA-N 0 1 299.370 3.603 20 0 CHADMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1cc(C)c(C(=O)[O-])o1 ZINC000519412619 601024492 /nfs/dbraw/zinc/02/44/92/601024492.db2.gz DHBZHNOEZDGXPU-RISCZKNCSA-N 0 1 279.380 3.687 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@@H+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000659790642 601165185 /nfs/dbraw/zinc/16/51/85/601165185.db2.gz JEINDROAJGEBHG-KRWDZBQOSA-N 0 1 297.329 3.527 20 0 CHADMN CCC(CC)[N@H+](Cc1ccc(C(=O)[O-])o1)CC(C)C ZINC000093309268 601181221 /nfs/dbraw/zinc/18/12/21/601181221.db2.gz RFRVBLPJEJLCRP-UHFFFAOYSA-N 0 1 267.369 3.624 20 0 CHADMN CC(C)CC[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000232562044 601617254 /nfs/dbraw/zinc/61/72/54/601617254.db2.gz QMJFJFSTHIJWRA-UHFFFAOYSA-N 0 1 279.355 3.534 20 0 CHADMN C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000235162300 601619464 /nfs/dbraw/zinc/61/94/64/601619464.db2.gz YZQCNRCQZJSUSN-SNVBAGLBSA-N 0 1 293.363 3.778 20 0 CHADMN CCC1(CC)CC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000232893362 601658963 /nfs/dbraw/zinc/65/89/63/601658963.db2.gz MXXHCSQXPQJQAS-UHFFFAOYSA-N 0 1 279.355 3.536 20 0 CHADMN CC(C)[N@@H+](Cc1cccs1)Cc1ccsc1C(=O)[O-] ZINC000110956052 601809268 /nfs/dbraw/zinc/80/92/68/601809268.db2.gz FUWNBEROTDGVNS-UHFFFAOYSA-N 0 1 295.429 3.918 20 0 CHADMN CC(C)[N@@H+](Cc1ccsc1C(=O)[O-])C1CCCC1 ZINC000565721168 601821466 /nfs/dbraw/zinc/82/14/66/601821466.db2.gz MOLCPJJSQWKTSG-UHFFFAOYSA-N 0 1 267.394 3.599 20 0 CHADMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000833554884 604678749 /nfs/dbraw/zinc/67/87/49/604678749.db2.gz NHFLLAVPZZXOQG-IBGZPJMESA-N 0 1 295.382 3.650 20 0 CHADMN C[C@H](c1cccs1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1F ZINC000062753769 605829051 /nfs/dbraw/zinc/82/90/51/605829051.db2.gz IMLZLOYRHKSQGU-SNVBAGLBSA-N 0 1 293.363 3.778 20 0 CHADMN C[N@@H+](CC/C=C/c1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC000322945300 970948660 /nfs/dbraw/zinc/94/86/60/970948660.db2.gz QEUAYESMPOUPIK-WEVVVXLNSA-N 0 1 295.382 3.920 20 0 CHADMN C[N@@H+](CC/C=C\c1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC000322944803 970948888 /nfs/dbraw/zinc/94/88/88/970948888.db2.gz QEUAYESMPOUPIK-UITAMQMPSA-N 0 1 295.382 3.920 20 0 CHADMN C[N@@H+](Cc1cccc(Cl)c1)Cc1cccc(C(=O)[O-])c1 ZINC000048877656 948907075 /nfs/dbraw/zinc/90/70/75/948907075.db2.gz SJZSAGGRSDUTCZ-UHFFFAOYSA-N 0 1 289.762 3.670 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000086784302 949065856 /nfs/dbraw/zinc/06/58/56/949065856.db2.gz LCSQLEBPWZMEDY-QGZVFWFLSA-N 0 1 287.359 3.510 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1Cl ZINC000122800617 949243818 /nfs/dbraw/zinc/24/38/18/949243818.db2.gz PCUMVICCOGCDGU-LBPRGKRZSA-N 0 1 299.773 3.698 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC000125382517 949257743 /nfs/dbraw/zinc/25/77/43/949257743.db2.gz AXHGPXHFJBPWMP-HNNXBMFYSA-N 0 1 267.413 3.534 20 0 CHADMN c1cc2c(s1)CN(Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000127054863 1125458021 /nfs/dbraw/zinc/45/80/21/1125458021.db2.gz RXUVYHDSGMXPKH-UHFFFAOYSA-N 0 1 295.411 3.697 20 0 CHADMN CC[N@@H+](CCC1(C(=O)[O-])CCC1)[C@@H]1CCCC[C@@H]1C ZINC001589730696 950503304 /nfs/dbraw/zinc/50/33/04/950503304.db2.gz QFPJZSAKFULHJV-UONOGXRCSA-N 0 1 267.413 3.532 20 0 CHADMN CO[C@H](C)C[N@@H+](Cc1cc(-c2ccccc2)on1)C(C)C ZINC000348272210 1125459176 /nfs/dbraw/zinc/45/91/76/1125459176.db2.gz QZKZYFBBYFTBKA-CQSZACIVSA-N 0 1 288.391 3.587 20 0 CHADMN CO[C@H](C)CN(Cc1cc(-c2ccccc2)on1)C(C)C ZINC000348272210 1125459180 /nfs/dbraw/zinc/45/91/80/1125459180.db2.gz QZKZYFBBYFTBKA-CQSZACIVSA-N 0 1 288.391 3.587 20 0 CHADMN Cc1cccc(CN[C@H](C)c2cccc(C)c2C)n1 ZINC000127222486 1125459601 /nfs/dbraw/zinc/45/96/01/1125459601.db2.gz JACGFODTTDTAOX-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN Cc1ccc(C[N@H+](C)C2(C(=O)[O-])CCCCC2)cc1C ZINC000380765182 971717116 /nfs/dbraw/zinc/71/71/16/971717116.db2.gz YOYZFMOHODBZCS-UHFFFAOYSA-N 0 1 275.392 3.523 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000334585539 951130469 /nfs/dbraw/zinc/13/04/69/951130469.db2.gz SEFXFCLYWJBMAB-BONVTDFDSA-N 0 1 295.810 3.642 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000334585550 951130739 /nfs/dbraw/zinc/13/07/39/951130739.db2.gz SEFXFCLYWJBMAB-ZUZCIYMTSA-N 0 1 295.810 3.642 20 0 CHADMN CC(C)(C)C[N@@H+](CCCc1ccccc1Cl)CC(=O)[O-] ZINC001602867598 971732831 /nfs/dbraw/zinc/73/28/31/971732831.db2.gz ZTVWDROXIUBEAO-UHFFFAOYSA-N 0 1 297.826 3.705 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000394794317 951457017 /nfs/dbraw/zinc/45/70/17/951457017.db2.gz AEVIHDHULRJUMB-RBSFLKMASA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@@H+](C)CCCC(=O)[O-] ZINC001602959231 971942358 /nfs/dbraw/zinc/94/23/58/971942358.db2.gz WWRSHWXHGOWSQB-CQSZACIVSA-N 0 1 255.402 3.556 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2)CC[C@H]1C(=O)[O-] ZINC000629497461 953829234 /nfs/dbraw/zinc/82/92/34/953829234.db2.gz CZEKJLXUPHWJNR-CZUORRHYSA-N 0 1 289.419 3.527 20 0 CHADMN Cc1ccc2nc(CN3CCCc4ccccc4C3)cn2c1 ZINC000536560864 1125461885 /nfs/dbraw/zinc/46/18/85/1125461885.db2.gz PNCUXGPUAGTWBF-UHFFFAOYSA-N 0 1 291.398 3.591 20 0 CHADMN C[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001593721304 954255723 /nfs/dbraw/zinc/25/57/23/954255723.db2.gz HDHJLKOFPKZHQX-UHFFFAOYSA-N 0 1 289.762 3.523 20 0 CHADMN CC[C@H]1CCC[C@@H](C[N@@H+](CC(=O)[O-])CC(C)(C)C)C1 ZINC000665351069 954543282 /nfs/dbraw/zinc/54/32/82/954543282.db2.gz OSQDRCZFOKNVCH-UONOGXRCSA-N 0 1 269.429 3.636 20 0 CHADMN CC[N@@H+](Cc1cc(C(=O)[O-])sc1C)CC(C)(C)C ZINC000386460246 972055910 /nfs/dbraw/zinc/05/59/10/972055910.db2.gz SOELLRWBUOREFZ-UHFFFAOYSA-N 0 1 269.410 3.623 20 0 CHADMN CC[C@@H](C)[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)[O-])n1 ZINC000387262124 972114456 /nfs/dbraw/zinc/11/44/56/972114456.db2.gz RNIKJBNEWFJWTJ-CQSZACIVSA-N 0 1 298.386 3.581 20 0 CHADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1C1c2ccccc2-c2ccccc21 ZINC000387904703 972147615 /nfs/dbraw/zinc/14/76/15/972147615.db2.gz VKCPBFAVUWQQSI-STQMWFEESA-N 0 1 293.366 3.551 20 0 CHADMN Fc1ccc(F)c(CN2C[C@H]3CCCC[C@@H]3C2)c1F ZINC001137927035 1131437226 /nfs/dbraw/zinc/43/72/26/1131437226.db2.gz KZPNOFANTNEBPB-GHMZBOCLSA-N 0 1 269.310 3.726 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000903401364 956832205 /nfs/dbraw/zinc/83/22/05/956832205.db2.gz KMCBSXFYNURASQ-HNNXBMFYSA-N 0 1 289.419 3.572 20 0 CHADMN CCC1(CC)C[N@@H+](Cc2ccc(C(=O)[O-])s2)CCS1 ZINC000903683572 956864133 /nfs/dbraw/zinc/86/41/33/956864133.db2.gz SJKKQJFTYHCNAE-UHFFFAOYSA-N 0 1 299.461 3.554 20 0 CHADMN Cc1ccc(C[C@@H](C)[N@@H+](C)CCC2(C(=O)[O-])CCC2)cc1 ZINC000903696632 956884318 /nfs/dbraw/zinc/88/43/18/956884318.db2.gz ZAVIUANSPVDKTB-OAHLLOKOSA-N 0 1 289.419 3.503 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cccc2ccccc21 ZINC000037598750 957314007 /nfs/dbraw/zinc/31/40/07/957314007.db2.gz NEMWVDBYRXHRMY-CYBMUJFWSA-N 0 1 271.360 3.525 20 0 CHADMN CCC(CC)C[N@@H+](CC)Cc1cc(C(=O)[O-])c(C)o1 ZINC000048970684 957471366 /nfs/dbraw/zinc/47/13/66/957471366.db2.gz KAYMXIXVDZIVSM-UHFFFAOYSA-N 0 1 267.369 3.544 20 0 CHADMN Cc1oc(C[N@@H+](Cc2cccs2)C2CC2)cc1C(=O)[O-] ZINC000049024475 957472842 /nfs/dbraw/zinc/47/28/42/957472842.db2.gz WYRPXGWJLMVADK-UHFFFAOYSA-N 0 1 291.372 3.512 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1occc1C(=O)[O-] ZINC000062015193 957597125 /nfs/dbraw/zinc/59/71/25/957597125.db2.gz SPMXRHBKVVGUDX-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000062015193 957597131 /nfs/dbraw/zinc/59/71/31/957597131.db2.gz SPMXRHBKVVGUDX-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000062754023 957608092 /nfs/dbraw/zinc/60/80/92/957608092.db2.gz WKXPCDAZYFQHSF-RISCZKNCSA-N 0 1 279.355 3.534 20 0 CHADMN C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(C(=O)[O-])ccc1F ZINC000062755143 957610099 /nfs/dbraw/zinc/61/00/99/957610099.db2.gz XSQNXDCAUSINCQ-IAQYHMDHSA-N 0 1 279.355 3.534 20 0 CHADMN CCC(CC)C[N@@H+](CC)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000091781161 958152725 /nfs/dbraw/zinc/15/27/25/958152725.db2.gz VVBZGVJTOWIPSQ-NSHDSACASA-N 0 1 267.369 3.797 20 0 CHADMN CC[C@H]1CCCCN1Cc1nnc(-c2ccc(C)cc2)o1 ZINC000046502130 1125467856 /nfs/dbraw/zinc/46/78/56/1125467856.db2.gz XEIMRYKNUAKZLQ-HNNXBMFYSA-N 0 1 285.391 3.810 20 0 CHADMN CC(C)CC[N@@H+](Cc1ccc(C(=O)[O-])o1)C1CCCC1 ZINC000094849818 958315484 /nfs/dbraw/zinc/31/54/84/958315484.db2.gz MPFJALYEGPAUJQ-UHFFFAOYSA-N 0 1 279.380 3.769 20 0 CHADMN CC(C)CC[N@@H+](CCC(C)(C)C(=O)[O-])C1CCCC1 ZINC000094853402 958316428 /nfs/dbraw/zinc/31/64/28/958316428.db2.gz FINFWHKYZPHSES-UHFFFAOYSA-N 0 1 269.429 3.778 20 0 CHADMN Cc1ccc(C[N@@H+](C)Cc2cccc(C(=O)[O-])c2)cc1C ZINC001594360333 958441884 /nfs/dbraw/zinc/44/18/84/958441884.db2.gz USDOGFAIOJQXHO-UHFFFAOYSA-N 0 1 283.371 3.634 20 0 CHADMN Cc1ccc([C@@H](C)Nc2ccc(C(=O)[O-])c(C)[nH+]2)s1 ZINC000124213711 958523700 /nfs/dbraw/zinc/52/37/00/958523700.db2.gz YHDPUKQRGGOTOH-SNVBAGLBSA-N 0 1 276.361 3.631 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+]([C@@H](C)C(=O)[O-])C1CC1 ZINC001594383212 958650706 /nfs/dbraw/zinc/65/07/06/958650706.db2.gz ROUZENRTAOEKDH-ZDUSSCGKSA-N 0 1 283.371 3.586 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cccc3ccccc32)[C@H](C(=O)[O-])C1 ZINC000129514457 958708188 /nfs/dbraw/zinc/70/81/88/958708188.db2.gz ATCFHEDMFTUGLQ-GUYCJALGSA-N 0 1 283.371 3.525 20 0 CHADMN Cc1oncc1CN1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000128725132 1125469143 /nfs/dbraw/zinc/46/91/43/1125469143.db2.gz UGJCNBQNSANFJJ-BDJLRTHQSA-N 0 1 274.339 3.705 20 0 CHADMN CC(C)(C)C1CCC(C[N@H+]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000158467222 959095174 /nfs/dbraw/zinc/09/51/74/959095174.db2.gz BTGAIDCICGFJCC-YMAMQOFZSA-N 0 1 281.440 3.778 20 0 CHADMN CCCN(Cc1nnc(Cc2ccccc2C)o1)CC1CC1 ZINC000129017730 1125470772 /nfs/dbraw/zinc/47/07/72/1125470772.db2.gz VXCXLUWWZHZRHI-UHFFFAOYSA-N 0 1 299.418 3.591 20 0 CHADMN Fc1ccc(CN2CCCCCCC2)c(F)c1F ZINC001137939056 1131439164 /nfs/dbraw/zinc/43/91/64/1131439164.db2.gz HIDVJCFRRLNJPW-UHFFFAOYSA-N 0 1 257.299 3.870 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000226990770 959912730 /nfs/dbraw/zinc/91/27/30/959912730.db2.gz UVBBWAJNEXIUTK-HZPDHXFCSA-N 0 1 289.419 3.961 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001573750107 960548924 /nfs/dbraw/zinc/54/89/24/960548924.db2.gz ZLORGNPMFINEGN-MXWKQRLJSA-N 0 1 299.773 3.583 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC001603286827 972527570 /nfs/dbraw/zinc/52/75/70/972527570.db2.gz MCUDFFGUHLCNFB-WDEREUQCSA-N 0 1 299.773 3.727 20 0 CHADMN Cc1noc(C)c1CN[C@@H](C)c1cc(C)ccc1C ZINC000035010675 1117759980 /nfs/dbraw/zinc/75/99/80/1117759980.db2.gz ZAVIHWFZTOKUEE-LBPRGKRZSA-N 0 1 258.365 3.759 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001327324363 961153457 /nfs/dbraw/zinc/15/34/57/961153457.db2.gz WLPCYMOKVBKTKT-FZMZJTMJSA-N 0 1 281.783 3.588 20 0 CHADMN C[N@@H+](CCCC(=O)[O-])[C@H]1CCCC[C@H]1c1ccccc1 ZINC000252957438 961295833 /nfs/dbraw/zinc/29/58/33/961295833.db2.gz KRVLGFLMYHKFPJ-HOTGVXAUSA-N 0 1 275.392 3.509 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001588797165 961399723 /nfs/dbraw/zinc/39/97/23/961399723.db2.gz BISSTCNHTWPCEA-RBSFLKMASA-N 0 1 267.413 3.697 20 0 CHADMN Cc1nc(C[N@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)oc1C ZINC000129775978 1125478419 /nfs/dbraw/zinc/47/84/19/1125478419.db2.gz HDTCNARZAPKHSW-CXAGYDPISA-N 0 1 284.403 3.917 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccccc3)[C@H](C)C2)oc1C ZINC000129775978 1125478422 /nfs/dbraw/zinc/47/84/22/1125478422.db2.gz HDTCNARZAPKHSW-CXAGYDPISA-N 0 1 284.403 3.917 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CCC2(C1)CCCCC2 ZINC000130002955 1125479276 /nfs/dbraw/zinc/47/92/76/1125479276.db2.gz XXAFWTJJFKFUKC-LBPRGKRZSA-N 0 1 275.396 3.664 20 0 CHADMN CCC(F)(F)CN[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000623679125 1117889438 /nfs/dbraw/zinc/88/94/38/1117889438.db2.gz JHNWLIMNJIFHKL-ZIAGYGMSSA-N 0 1 253.336 3.958 20 0 CHADMN C[N@@H+](CC1CCCC1)[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001346240510 962332735 /nfs/dbraw/zinc/33/27/35/962332735.db2.gz GGALQRFIXNUAQO-CQSZACIVSA-N 0 1 281.783 3.588 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@H](c3ccc(Cl)cc3)C2)o1 ZINC000111305489 1125482459 /nfs/dbraw/zinc/48/24/59/1125482459.db2.gz RVYPXAXOTOCJAO-MFKMUULPSA-N 0 1 291.782 3.582 20 0 CHADMN O=C([O-])CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC001574702165 962685770 /nfs/dbraw/zinc/68/57/70/962685770.db2.gz OWICYQUDPDICRD-ZACQAIPSSA-N 0 1 287.403 3.509 20 0 CHADMN Cc1oc(C[N@H+]2CC[C@H](CC(C)(C)C)C2)cc1C(=O)[O-] ZINC000307806495 963226028 /nfs/dbraw/zinc/22/60/28/963226028.db2.gz GEEWDLXUDFNMKV-GFCCVEGCSA-N 0 1 279.380 3.544 20 0 CHADMN CC(C)C(C[N@H+]1CCc2c(cccc2C(=O)[O-])C1)C(C)C ZINC000314476475 963757996 /nfs/dbraw/zinc/75/79/96/963757996.db2.gz FTQSEAYJIGTSDU-UHFFFAOYSA-N 0 1 289.419 3.671 20 0 CHADMN C[C@H](c1ccc(F)cc1)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000315853110 963943630 /nfs/dbraw/zinc/94/36/30/963943630.db2.gz HDWAHGUDDDAKNX-PXAZEXFGSA-N 0 1 299.345 3.571 20 0 CHADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1C(c1ccccc1)c1ccccc1 ZINC000316950453 964079628 /nfs/dbraw/zinc/07/96/28/964079628.db2.gz BHRSERAQQVCSQC-YOEHRIQHSA-N 0 1 295.382 3.571 20 0 CHADMN COCCCCN1CCC[C@@H]1c1c(F)cccc1F ZINC001209219091 1118017178 /nfs/dbraw/zinc/01/71/78/1118017178.db2.gz FANZCNPWKABAAC-CQSZACIVSA-N 0 1 269.335 3.528 20 0 CHADMN C[C@H]1CCCC[C@@H]1CN(C)Cc1nccn1C(F)F ZINC000182993800 1118035187 /nfs/dbraw/zinc/03/51/87/1118035187.db2.gz JMUSINNEBWUWFI-NWDGAFQWSA-N 0 1 271.355 3.536 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000122802311 967616687 /nfs/dbraw/zinc/61/66/87/967616687.db2.gz KLZIAIOKIAOWSB-HNNXBMFYSA-N 0 1 299.773 3.556 20 0 CHADMN Cc1ccccc1[C@@H](C)[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC000903697133 969591028 /nfs/dbraw/zinc/59/10/28/969591028.db2.gz RPUFGFMRMXNSFY-CQSZACIVSA-N 0 1 275.392 3.633 20 0 CHADMN CC(C)C[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000396855130 972945699 /nfs/dbraw/zinc/94/56/99/972945699.db2.gz WYMUSFWSBGXJPD-CQSZACIVSA-N 0 1 279.355 3.534 20 0 CHADMN Cc1cccc([C@H]([NH2+]Cc2cc3ccccc3o2)C(=O)[O-])c1 ZINC001605329289 973197285 /nfs/dbraw/zinc/19/72/85/973197285.db2.gz IQDWQCUJDZUUQZ-KRWDZBQOSA-N 0 1 295.338 3.657 20 0 CHADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)C[C@H]1CC2CCC1CC2 ZINC000399972014 973245223 /nfs/dbraw/zinc/24/52/23/973245223.db2.gz FLAJYYPKEWYVNC-PUJMQQBBSA-N 0 1 287.403 3.643 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000404780072 973749318 /nfs/dbraw/zinc/74/93/18/973749318.db2.gz VNRFCWAMFKQAFU-OLZOCXBDSA-N 0 1 299.370 3.701 20 0 CHADMN CC(C)[C@H](NC[C@@H](O)C(F)(F)F)c1ccccc1Cl ZINC000120517864 1118130553 /nfs/dbraw/zinc/13/05/53/1118130553.db2.gz GRXHWUGYIALJGC-NEPJUHHUSA-N 0 1 295.732 3.550 20 0 CHADMN C[N@@H+](CCC1CCCCC1)[C@@H](C(=O)[O-])c1ccccc1F ZINC000520823379 974341342 /nfs/dbraw/zinc/34/13/42/974341342.db2.gz CHYYRHWDFDHKTR-MRXNPFEDSA-N 0 1 293.382 3.854 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C2CCCCC2)cc1 ZINC000532881959 974377130 /nfs/dbraw/zinc/37/71/30/974377130.db2.gz YPJUBQNFPUDWCH-CYBMUJFWSA-N 0 1 275.392 3.639 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)CCC1CCCCC1 ZINC000565101796 974568347 /nfs/dbraw/zinc/56/83/47/974568347.db2.gz XMIWBLWWZPKEFL-AWEZNQCLSA-N 0 1 255.402 3.532 20 0 CHADMN CC[C@](C)(C(=O)[O-])[N@@H+](CCCCOC(C)(C)C)CC1CC1 ZINC000566510871 974615969 /nfs/dbraw/zinc/61/59/69/974615969.db2.gz CWSQTWMIMIBWCW-QGZVFWFLSA-N 0 1 299.455 3.547 20 0 CHADMN C[C@]1(C(=O)[O-])CCC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000568058823 974654752 /nfs/dbraw/zinc/65/47/52/974654752.db2.gz GSIRAQZJGJHHCV-IBGZPJMESA-N 0 1 297.398 3.569 20 0 CHADMN O=C([O-])c1occc1C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000568060041 974655606 /nfs/dbraw/zinc/65/56/06/974655606.db2.gz OWFIJNBOHAHKHN-INIZCTEOSA-N 0 1 299.370 3.575 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCCC3(CCCCC3)C2)cs1 ZINC000568063025 974658059 /nfs/dbraw/zinc/65/80/59/974658059.db2.gz ZKLYQINFFZDFMF-UHFFFAOYSA-N 0 1 293.432 3.993 20 0 CHADMN Cc1cc(C[N@@H+]2CCC[C@@H]2CCC(C)C)oc1C(=O)[O-] ZINC000569011016 974683018 /nfs/dbraw/zinc/68/30/18/974683018.db2.gz SXQLKKLRNONPHQ-CYBMUJFWSA-N 0 1 279.380 3.687 20 0 CHADMN CC1(C)[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000570689032 974716492 /nfs/dbraw/zinc/71/64/92/974716492.db2.gz GTEIKOATIYXAJK-MRXNPFEDSA-N 0 1 299.370 3.746 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1ccc(C2CCCC2)cc1 ZINC000570689653 974716731 /nfs/dbraw/zinc/71/67/31/974716731.db2.gz RGERHVPRPDKZIS-KRWDZBQOSA-N 0 1 287.403 3.783 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000570851850 974720003 /nfs/dbraw/zinc/72/00/03/974720003.db2.gz NZEQXRCZNIHJKB-PHIMTYICSA-N 0 1 281.783 3.516 20 0 CHADMN C[N@@H+](Cc1cccc(C(=O)[O-])c1Cl)C(C1CC1)C1CC1 ZINC000572848246 974755388 /nfs/dbraw/zinc/75/53/88/974755388.db2.gz BEIFUNPWFMTWOD-UHFFFAOYSA-N 0 1 293.794 3.659 20 0 CHADMN O=C([O-])[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@@H]1c1ccccc1 ZINC000574046340 974776243 /nfs/dbraw/zinc/77/62/43/974776243.db2.gz DNCMIHVOIZVMPW-QZTJIDSGSA-N 0 1 299.414 3.677 20 0 CHADMN O=C([O-])[C@H](c1ccsc1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000578756250 974860989 /nfs/dbraw/zinc/86/09/89/974860989.db2.gz KDVFXFCNGBINQL-YPMHNXCESA-N 0 1 293.413 3.772 20 0 CHADMN O=C([O-])C1(C[N@H+]2CCCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000580719885 974898906 /nfs/dbraw/zinc/89/89/06/974898906.db2.gz CBBKQAHRSAVVEV-AWEZNQCLSA-N 0 1 293.794 3.732 20 0 CHADMN CCC[C@H](C)CCC[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000629362505 975083374 /nfs/dbraw/zinc/08/33/74/975083374.db2.gz URKSRYCPVJWEJH-STQMWFEESA-N 0 1 255.402 3.530 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C)C1 ZINC000629376226 975090389 /nfs/dbraw/zinc/09/03/89/975090389.db2.gz SASSSUMQODDKNW-NSWPXQNRSA-N 0 1 287.403 3.799 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000629376230 975090402 /nfs/dbraw/zinc/09/04/02/975090402.db2.gz SGKBYEWAUMXCDR-XQJDBVBESA-N 0 1 291.366 3.702 20 0 CHADMN CC(C)CC[N@@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000652388626 975518464 /nfs/dbraw/zinc/51/84/64/975518464.db2.gz NKINNKUNCIOTMZ-UHFFFAOYSA-N 0 1 269.772 3.516 20 0 CHADMN O=C([O-])[C@@H](c1ccccc1)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000652415529 975525975 /nfs/dbraw/zinc/52/59/75/975525975.db2.gz YUGBQYVWWNVBFO-SJLPKXTDSA-N 0 1 285.387 3.635 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000652415477 975526878 /nfs/dbraw/zinc/52/68/78/975526878.db2.gz WKARAHJOFFMOAO-CYBMUJFWSA-N 0 1 279.405 3.601 20 0 CHADMN C[C@@H]([N@@H+](C)Cc1cc(C(=O)[O-])ccc1Cl)C1(C)CC1 ZINC000652440381 975533906 /nfs/dbraw/zinc/53/39/06/975533906.db2.gz PWQJSYQEENOTPF-SNVBAGLBSA-N 0 1 281.783 3.659 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(-c2cccs2)cc1 ZINC000652464663 975542643 /nfs/dbraw/zinc/54/26/43/975542643.db2.gz QZDRUUCAHWQIJE-UHFFFAOYSA-N 0 1 289.400 3.712 20 0 CHADMN O=C([O-])C[N@@H+](CCc1ccccc1Cl)C1CCCCC1 ZINC000652482794 975552578 /nfs/dbraw/zinc/55/25/78/975552578.db2.gz VMNGUHJBGSALDI-UHFFFAOYSA-N 0 1 295.810 3.602 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCCC(CC)(CC)C1 ZINC000656762549 975690394 /nfs/dbraw/zinc/69/03/94/975690394.db2.gz FCWMHUIENVLKHQ-CYBMUJFWSA-N 0 1 255.402 3.532 20 0 CHADMN CCC[N@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccccc1F ZINC000656765377 975696735 /nfs/dbraw/zinc/69/67/35/975696735.db2.gz KWPBPHNIVFSSPB-UHFFFAOYSA-N 0 1 291.322 3.529 20 0 CHADMN CCC[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccccc1F ZINC000656765377 975696739 /nfs/dbraw/zinc/69/67/39/975696739.db2.gz KWPBPHNIVFSSPB-UHFFFAOYSA-N 0 1 291.322 3.529 20 0 CHADMN CCC(C)(C)CC[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000656766068 975699699 /nfs/dbraw/zinc/69/96/99/975699699.db2.gz PXGFVUWILCMPHE-ILXRZTDVSA-N 0 1 281.440 3.778 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CCC=C(C)C)CC(=O)[O-] ZINC000659793206 975881815 /nfs/dbraw/zinc/88/18/15/975881815.db2.gz CYPHFYUPKAAJAB-MRXNPFEDSA-N 0 1 275.392 3.881 20 0 CHADMN CCCCC[C@@H]1CCCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000659804412 975895081 /nfs/dbraw/zinc/89/50/81/975895081.db2.gz YXJCTCZNPURLAF-CQSZACIVSA-N 0 1 267.413 3.676 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000663317085 975943886 /nfs/dbraw/zinc/94/38/86/975943886.db2.gz KPCFNAJNQHIRCQ-ORQFMDKSSA-N 0 1 287.403 3.570 20 0 CHADMN CC(C)c1[nH]c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC001591910493 976320745 /nfs/dbraw/zinc/32/07/45/976320745.db2.gz GIHMEWIGFOKDNG-SWLSCSKDSA-N 0 1 292.423 3.847 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000711483068 977550274 /nfs/dbraw/zinc/55/02/74/977550274.db2.gz AHIJUWMXXOPQHS-GFCCVEGCSA-N 0 1 267.394 3.601 20 0 CHADMN Brc1ccc(CN2CCC[C@H]2C2CCC2)nc1 ZINC000171973061 1118163492 /nfs/dbraw/zinc/16/34/92/1118163492.db2.gz BJBMTQYZFDUDCL-AWEZNQCLSA-N 0 1 295.224 3.609 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000734843517 978301870 /nfs/dbraw/zinc/30/18/70/978301870.db2.gz MSMORXVDSSKBLS-SNVBAGLBSA-N 0 1 293.750 3.505 20 0 CHADMN CCCCCC[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000851707791 979576641 /nfs/dbraw/zinc/57/66/41/979576641.db2.gz KLRCRURILVQMNY-HOTGVXAUSA-N 0 1 275.392 3.857 20 0 CHADMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000859793071 979632365 /nfs/dbraw/zinc/63/23/65/979632365.db2.gz IHTKPXRMZABKID-QWHCGFSZSA-N 0 1 299.370 3.875 20 0 CHADMN C[C@H](N[C@H]1CCS[C@H]1C)c1nc(C(F)(F)F)cs1 ZINC000683849057 1118410532 /nfs/dbraw/zinc/41/05/32/1118410532.db2.gz YWJRNXJVPPNSKL-FXQIFTODSA-N 0 1 296.383 3.707 20 0 CHADMN C[C@H](C[N@H+]1CCC[C@H](CCC(=O)[O-])C1)c1ccc(F)cc1 ZINC000871622101 979961483 /nfs/dbraw/zinc/96/14/83/979961483.db2.gz ZJLBTGDTHLFRBF-ZIAGYGMSSA-N 0 1 293.382 3.506 20 0 CHADMN O=C([O-])c1csc(C[N@@H+](C2CC2)C2CCCCC2)c1 ZINC000872157572 980040251 /nfs/dbraw/zinc/04/02/51/980040251.db2.gz RSIMAGYINWHCOA-UHFFFAOYSA-N 0 1 279.405 3.743 20 0 CHADMN C[C@H](C[N@H+](Cc1ccccc1)C[C@H](C)C(C)(C)C)C(=O)[O-] ZINC000872159406 980044318 /nfs/dbraw/zinc/04/43/18/980044318.db2.gz GMNOXRNLZISPRT-CABCVRRESA-N 0 1 291.435 3.892 20 0 CHADMN Cc1scc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1C ZINC000901521929 980339611 /nfs/dbraw/zinc/33/96/11/980339611.db2.gz KMEFUITVVVGRAF-AWEZNQCLSA-N 0 1 295.448 3.688 20 0 CHADMN Cc1scc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1C ZINC000901521930 980340416 /nfs/dbraw/zinc/34/04/16/980340416.db2.gz KMEFUITVVVGRAF-CQSZACIVSA-N 0 1 295.448 3.688 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000901542463 980370816 /nfs/dbraw/zinc/37/08/16/980370816.db2.gz FDSPYYXCHDVNOR-PRCCLHLVSA-N 0 1 289.375 3.556 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@@H+](CC(=O)[O-])CC(C)C ZINC000901590695 980396775 /nfs/dbraw/zinc/39/67/75/980396775.db2.gz QQYLOJQONIJKPZ-OAHLLOKOSA-N 0 1 269.429 3.802 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@H]1CCCC(C)(C)C1 ZINC000901593998 980398363 /nfs/dbraw/zinc/39/83/63/980398363.db2.gz VTUHMLBMARVSJO-AWEZNQCLSA-N 0 1 269.429 3.636 20 0 CHADMN O=C([O-])c1ccc2c(c1)CC[N@H+](CCC1CCCCC1)C2 ZINC000901675661 980438742 /nfs/dbraw/zinc/43/87/42/980438742.db2.gz NPIYAAMJGUFMBS-UHFFFAOYSA-N 0 1 287.403 3.713 20 0 CHADMN C[C@H]1CCCC[C@H]1C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000901777614 980508249 /nfs/dbraw/zinc/50/82/49/980508249.db2.gz IQHFHVWNPJNUFR-ZFWWWQNUSA-N 0 1 287.403 3.569 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@@H+](CCC(=O)[O-])C(C)C ZINC000901978103 980658675 /nfs/dbraw/zinc/65/86/75/980658675.db2.gz GFRQFKOAWPFYGM-OAHLLOKOSA-N 0 1 269.429 3.944 20 0 CHADMN CC[C@@H](C)[N@@H+](C/C=C/c1c(C)cc(C)cc1C)CC(=O)[O-] ZINC000901985291 980666822 /nfs/dbraw/zinc/66/68/22/980666822.db2.gz OPKUTDBHYZFOFD-KXPUMZMLSA-N 0 1 289.419 3.810 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000901992948 980673494 /nfs/dbraw/zinc/67/34/94/980673494.db2.gz GVNXBGVKOMDVJA-HUUCEWRRSA-N 0 1 281.440 3.944 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000902237771 980795343 /nfs/dbraw/zinc/79/53/43/980795343.db2.gz KHGFNCYRHKGDEJ-OAHLLOKOSA-N 0 1 299.370 3.666 20 0 CHADMN C/C(=C\c1ccccc1)C[N@H+](C)Cc1cc(C(=O)[O-])oc1C ZINC000902269546 980810055 /nfs/dbraw/zinc/81/00/55/980810055.db2.gz FWHDTVFXDFTVMY-UKTHLTGXSA-N 0 1 299.370 3.822 20 0 CHADMN Cc1oc(C[N@H+]2CC[C@H](c3cccc(C)c3)C2)cc1C(=O)[O-] ZINC000902372277 980859594 /nfs/dbraw/zinc/85/95/94/980859594.db2.gz JLYFOISNTZFFMD-HNNXBMFYSA-N 0 1 299.370 3.584 20 0 CHADMN C[C@@H]1CCCC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)C1 ZINC000902419768 980878280 /nfs/dbraw/zinc/87/82/80/980878280.db2.gz VCBISPFWGBUANH-CYBMUJFWSA-N 0 1 298.386 3.555 20 0 CHADMN CCC1(CC)C[N@@H+](Cc2cc(C(=O)[O-])cs2)CCS1 ZINC001595376073 980902820 /nfs/dbraw/zinc/90/28/20/980902820.db2.gz LQXBTKZNGSSVOB-UHFFFAOYSA-N 0 1 299.461 3.554 20 0 CHADMN C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902511556 980915506 /nfs/dbraw/zinc/91/55/06/980915506.db2.gz JPDBNQLMBVIFJR-SKVAFPRGSA-N 0 1 291.372 3.632 20 0 CHADMN O=C([O-])/C=C/c1ccc(C[N@@H+](C2CC2)C2CCCCC2)o1 ZINC000902514322 980916698 /nfs/dbraw/zinc/91/66/98/980916698.db2.gz AZONUOOICNKJGF-ZHACJKMWSA-N 0 1 289.375 3.675 20 0 CHADMN CC(C)CC[C@H]1CCC[N@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902530549 980923715 /nfs/dbraw/zinc/92/37/15/980923715.db2.gz UOBBPLZHAIUUDS-ATWMFIQVSA-N 0 1 291.391 3.778 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000902542433 980926927 /nfs/dbraw/zinc/92/69/27/980926927.db2.gz OHMOWFCMPJVROF-WWGRRREGSA-N 0 1 299.370 3.744 20 0 CHADMN C[C@@H](C1CCCCC1)[N@@H+](C)Cc1cc(C(=O)[O-])cs1 ZINC000902545826 980928363 /nfs/dbraw/zinc/92/83/63/980928363.db2.gz MMSSCGIIRDZIPJ-NSHDSACASA-N 0 1 281.421 3.847 20 0 CHADMN CCc1oc(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)cc1C(=O)[O-] ZINC000902552990 980930579 /nfs/dbraw/zinc/93/05/79/980930579.db2.gz BDWYZFUTEWSPMU-LLVKDONJSA-N 0 1 279.380 3.551 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000903408175 980959194 /nfs/dbraw/zinc/95/91/94/980959194.db2.gz FYELDXYYTFWPAJ-QGZVFWFLSA-N 0 1 289.419 3.714 20 0 CHADMN O=C([O-])C[N@@H+](Cc1cc(Cl)cc2ccccc21)C1CC1 ZINC000903590913 980977897 /nfs/dbraw/zinc/97/78/97/980977897.db2.gz DMWKDDJTMPPJJN-UHFFFAOYSA-N 0 1 289.762 3.542 20 0 CHADMN CCCCCC[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000903621018 980997832 /nfs/dbraw/zinc/99/78/32/980997832.db2.gz MPKPDTVBIFCBLX-UHFFFAOYSA-N 0 1 257.418 3.636 20 0 CHADMN C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000903631030 981007320 /nfs/dbraw/zinc/00/73/20/981007320.db2.gz JPXJGAKPJHRPNU-CXAGYDPISA-N 0 1 299.370 3.746 20 0 CHADMN C[C@@H](C1CCCCC1)[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC000903684877 981012397 /nfs/dbraw/zinc/01/23/97/981012397.db2.gz IJSVLPZHHLERKI-NSHDSACASA-N 0 1 281.421 3.847 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])c2cccnc12)C1CCC1 ZINC000903894192 981024556 /nfs/dbraw/zinc/02/45/56/981024556.db2.gz PQMXVGMDRRAGLQ-UHFFFAOYSA-N 0 1 298.386 3.696 20 0 CHADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1C/C=C/c1ccc(Cl)cc1 ZINC000903939244 981057909 /nfs/dbraw/zinc/05/79/09/981057909.db2.gz OKVKKRAOMJLJEX-SDEBIZQBSA-N 0 1 293.794 3.538 20 0 CHADMN CC[C@H]1CCCC[C@@H]1C[N@@H+](CCC(F)(F)F)CC(=O)[O-] ZINC001595440233 981076582 /nfs/dbraw/zinc/07/65/82/981076582.db2.gz IPUUOLWVTBZCGP-NWDGAFQWSA-N 0 1 295.345 3.542 20 0 CHADMN CC[C@H]1CCCC[C@H]1C[N@@H+](CCC(F)(F)F)CC(=O)[O-] ZINC001595440235 981076679 /nfs/dbraw/zinc/07/66/79/981076679.db2.gz IPUUOLWVTBZCGP-RYUDHWBXSA-N 0 1 295.345 3.542 20 0 CHADMN CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1csc(C(=O)[O-])c1 ZINC001595444813 981090872 /nfs/dbraw/zinc/09/08/72/981090872.db2.gz USMHUIFXVNXPAF-STQMWFEESA-N 0 1 281.421 3.847 20 0 CHADMN CCC[C@@H](C)CCC[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000905371645 981094805 /nfs/dbraw/zinc/09/48/05/981094805.db2.gz GPAVYWWUFYZCBD-ZBFHGGJFSA-N 0 1 277.408 3.961 20 0 CHADMN FC(F)(F)CC1CN(Cc2coc3ccccc23)C1 ZINC000656688779 1118637591 /nfs/dbraw/zinc/63/75/91/1118637591.db2.gz UHTGQQVARSDSPW-UHFFFAOYSA-N 0 1 269.266 3.817 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC001595629034 981794815 /nfs/dbraw/zinc/79/48/15/981794815.db2.gz USQQBKALCPFNDG-DGCLKSJQSA-N 0 1 281.421 3.774 20 0 CHADMN CC[C@@](C)(C(=O)[O-])[N@@H+](CCC1=CCCCC1)CC1CC1 ZINC001594788213 981834818 /nfs/dbraw/zinc/83/48/18/981834818.db2.gz UVVUJUZHEITKCF-KRWDZBQOSA-N 0 1 279.424 3.842 20 0 CHADMN CC(C)(C)c1coc(CN2CCC[C@H]3CCC[C@@H]32)n1 ZINC000891804161 1118784117 /nfs/dbraw/zinc/78/41/17/1118784117.db2.gz OPIATCORASNXIR-OLZOCXBDSA-N 0 1 262.397 3.737 20 0 CHADMN CCCC[N@@H+](Cc1cc(C(=O)[O-])no1)[C@@H]1CCC[C@H](C)C1 ZINC001595749299 982422750 /nfs/dbraw/zinc/42/27/50/982422750.db2.gz WHCHZPPINUYNJE-QWHCGFSZSA-N 0 1 294.395 3.554 20 0 CHADMN CCC[N@@H+](Cc1ccc(F)cc1)[C@H](C(=O)[O-])[C@@H](C)CC ZINC001595887718 982914971 /nfs/dbraw/zinc/91/49/71/982914971.db2.gz CEMGWXJLCFTZDA-WFASDCNBSA-N 0 1 281.371 3.537 20 0 CHADMN CCC[N@@H+](Cc1ccc(/C=C\C(=O)[O-])o1)Cc1ccccc1 ZINC001595899134 982948651 /nfs/dbraw/zinc/94/86/51/982948651.db2.gz FIJFOFAOPZVFOW-KHPPLWFESA-N 0 1 299.370 3.790 20 0 CHADMN CCCC1CCN(Cc2c(F)cccc2F)CC1 ZINC001167553683 1119029259 /nfs/dbraw/zinc/02/92/59/1119029259.db2.gz HSBUIGWSRUGYSC-UHFFFAOYSA-N 0 1 253.336 3.977 20 0 CHADMN CCCc1cccc(C[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001596068802 983381951 /nfs/dbraw/zinc/38/19/51/983381951.db2.gz LHHWGOHIJAUGHS-SFHVURJKSA-N 0 1 297.398 3.897 20 0 CHADMN Cc1ccccc1[C@@H](CC(C)C)NCc1ncc[nH]1 ZINC000112379201 1125486890 /nfs/dbraw/zinc/48/68/90/1125486890.db2.gz RPVOXSLPGQDYAF-OAHLLOKOSA-N 0 1 257.381 3.595 20 0 CHADMN C[C@@H]1CC[C@@H](NC(=O)c2ccc(Cl)c(O)c2)[C@H](C)C1 ZINC001136800029 1131446881 /nfs/dbraw/zinc/44/68/81/1131446881.db2.gz KIYZKWKQQMMFSI-GIPNMCIBSA-N 0 1 281.783 3.600 20 0 CHADMN COc1nccc(Nc2cc(C)nc3ccccc32)c1Cl ZINC001211941498 1125487853 /nfs/dbraw/zinc/48/78/53/1125487853.db2.gz XTXDMAFOISPOBB-UHFFFAOYSA-N 0 1 299.761 3.766 20 0 CHADMN CC[N@@H+](CCC1CC1)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001596320609 983751017 /nfs/dbraw/zinc/75/10/17/983751017.db2.gz FDAUXZDRLIVSAB-CQSZACIVSA-N 0 1 299.773 3.727 20 0 CHADMN CC[N@@H+](Cc1c(C)c(C)c(C)c(C)c1C)C(C)(C)C(=O)[O-] ZINC001596351057 983806166 /nfs/dbraw/zinc/80/61/66/983806166.db2.gz USFQDAOMLLUHQZ-UHFFFAOYSA-N 0 1 291.435 3.914 20 0 CHADMN CC[N@@H+](Cc1occc1C)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001596380771 983904798 /nfs/dbraw/zinc/90/47/98/983904798.db2.gz ZCDMTXXNQQROQD-LBPRGKRZSA-N 0 1 291.347 3.771 20 0 CHADMN Cc1nc(CN2CCC3(CCCCC3)CC2)[nH]c1C ZINC000628162185 1119221792 /nfs/dbraw/zinc/22/17/92/1119221792.db2.gz HAKZZOWYQSRVCG-UHFFFAOYSA-N 0 1 261.413 3.573 20 0 CHADMN CCc1ccc(CN(C)[C@@H](C)c2ccncc2)s1 ZINC000583291320 1119336315 /nfs/dbraw/zinc/33/63/15/1119336315.db2.gz IMDYEDKIWOMYGJ-LBPRGKRZSA-N 0 1 260.406 3.899 20 0 CHADMN CCc1ccsc1C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000049247808 1125494122 /nfs/dbraw/zinc/49/41/22/1125494122.db2.gz CIGIIPOOEXVBJY-UHFFFAOYSA-N 0 1 285.372 3.748 20 0 CHADMN Cc1[nH]c(C[N@H+](C)C[C@H](C)C2CCCCC2)cc1C(=O)[O-] ZINC001599962679 985818296 /nfs/dbraw/zinc/81/82/96/985818296.db2.gz RPAKGTBSUZATDE-LBPRGKRZSA-N 0 1 292.423 3.670 20 0 CHADMN CCC(C)(C)[C@H]1CCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000565107841 1119482375 /nfs/dbraw/zinc/48/23/75/1119482375.db2.gz YJQDIFOVPJRQHE-CYBMUJFWSA-N 0 1 281.421 3.847 20 0 CHADMN COC[C@@H](N[C@H](C)c1csc(C(C)C)n1)C(C)C ZINC000090049369 1119542935 /nfs/dbraw/zinc/54/29/35/1119542935.db2.gz PJVCUWNLFUALEH-VXGBXAGGSA-N 0 1 270.442 3.588 20 0 CHADMN CN(CCOCc1ccccc1)Cc1ccc(Cl)o1 ZINC000091936940 1119560342 /nfs/dbraw/zinc/56/03/42/1119560342.db2.gz FWKUHGGDJCVGOQ-UHFFFAOYSA-N 0 1 279.767 3.582 20 0 CHADMN CC(C)c1ncc(CN2CCS[C@@H](C(C)C)C2)s1 ZINC000093869108 1119572448 /nfs/dbraw/zinc/57/24/48/1119572448.db2.gz PHVRLQSUKXFULV-CYBMUJFWSA-N 0 1 284.494 3.840 20 0 CHADMN C[C@@H](CC1CCCC1)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000114396051 1125497980 /nfs/dbraw/zinc/49/79/80/1125497980.db2.gz AOWBGHBNUQAKKS-LBPRGKRZSA-N 0 1 298.390 3.627 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccsc2)cc1O ZINC000685654513 1119645610 /nfs/dbraw/zinc/64/56/10/1119645610.db2.gz KPGXYGFBTZUSON-QWRGUYRKSA-N 0 1 277.389 3.874 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H](C)[C@](C)(O)CC2)c1Cl ZINC001138022980 1131452753 /nfs/dbraw/zinc/45/27/53/1131452753.db2.gz UPFAFIYRIHLOSW-BLLLJJGKSA-N 0 1 299.817 3.770 20 0 CHADMN CC(C)(C)C[C@H]1CC[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001589764552 988103966 /nfs/dbraw/zinc/10/39/66/988103966.db2.gz NGXNERQMVFPLFP-FMFIFOJESA-N 0 1 291.391 3.636 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001597525989 988168595 /nfs/dbraw/zinc/16/85/95/988168595.db2.gz FKSUYDLDFGZELM-ZHACJKMWSA-N 0 1 299.370 3.572 20 0 CHADMN C/C=C\C[C@@H]1CCCN(Cc2csc(C)n2)C1 ZINC000626160682 1119791031 /nfs/dbraw/zinc/79/10/31/1119791031.db2.gz NKLCORDRDOQGMK-DHCBQETCSA-N 0 1 250.411 3.630 20 0 CHADMN CCC[C@H](NCc1cnc(C)o1)c1ccsc1 ZINC000414190133 1119932831 /nfs/dbraw/zinc/93/28/31/1119932831.db2.gz SOCATFMTNMIEFL-ZDUSSCGKSA-N 0 1 250.367 3.676 20 0 CHADMN CCc1oc(C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001597795862 989349175 /nfs/dbraw/zinc/34/91/75/989349175.db2.gz GAVRNBFGHKJLTF-SJKOYZFVSA-N 0 1 299.370 3.733 20 0 CHADMN CCC[C@H](N[C@@H]1C[C@@H](C)O[C@@H]1C)c1ncccc1Cl ZINC000926782543 1120017825 /nfs/dbraw/zinc/01/78/25/1120017825.db2.gz DNZPIANEBKPVMO-MHDGFBEUSA-N 0 1 282.815 3.732 20 0 CHADMN CC(C)(C)SCCC[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC001590429795 989986744 /nfs/dbraw/zinc/98/67/44/989986744.db2.gz XDJJPRWCZGBJNM-UHFFFAOYSA-N 0 1 287.469 3.628 20 0 CHADMN Nc1[nH+]cccc1Nc1cc(C(F)(F)F)ccc1[S-] ZINC001212399620 1120054947 /nfs/dbraw/zinc/05/49/47/1120054947.db2.gz GTZTVBZTAQXELB-UHFFFAOYSA-N 0 1 285.294 3.715 20 0 CHADMN CC(C)=CC[N@@H+](CCCC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001590921677 990912528 /nfs/dbraw/zinc/91/25/28/990912528.db2.gz VAIPTHZQEAGVDG-UHFFFAOYSA-N 0 1 295.810 3.973 20 0 CHADMN CC(C)CC[C@H]1CCCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC001591227803 992100672 /nfs/dbraw/zinc/10/06/72/992100672.db2.gz LJNDEMVXXISXFT-CQSZACIVSA-N 0 1 279.380 3.769 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@@H]1CCCCC1(C)C ZINC001591331826 992308637 /nfs/dbraw/zinc/30/86/37/992308637.db2.gz WRWRUQKFPRPPPY-AWEZNQCLSA-N 0 1 269.429 3.636 20 0 CHADMN CC(C)[N@@H+]([C@H](C)c1ncc(C(=O)[O-])s1)C1CCCCC1 ZINC001591562295 992768652 /nfs/dbraw/zinc/76/86/52/992768652.db2.gz OQNIDFWBFFVPBD-LLVKDONJSA-N 0 1 296.436 3.945 20 0 CHADMN C[N@@H+](Cc1ccoc1C(=O)[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC001598532300 992796757 /nfs/dbraw/zinc/79/67/57/992796757.db2.gz FLKATESYQGIJQE-OLZOCXBDSA-N 0 1 279.380 3.624 20 0 CHADMN CN(Cc1csc2ccccc12)c1cc(C(=O)[O-])cc[nH+]1 ZINC001598536061 992840923 /nfs/dbraw/zinc/84/09/23/992840923.db2.gz ISZJWFPLGPVFBS-UHFFFAOYSA-N 0 1 298.367 3.631 20 0 CHADMN CN(CCC1CCC1)Cc1nc2c(s1)CCCC2 ZINC000659982233 1120323741 /nfs/dbraw/zinc/32/37/41/1120323741.db2.gz ICPOLRZCDLBFLX-UHFFFAOYSA-N 0 1 264.438 3.644 20 0 CHADMN C[C@H]([NH2+]Cc1cccc(Cl)c1F)c1cc(C(=O)[O-])co1 ZINC001593304837 994755365 /nfs/dbraw/zinc/75/53/65/994755365.db2.gz TYVZAWOBRVLPMU-QMMMGPOBSA-N 0 1 297.713 3.621 20 0 CHADMN CCC(=O)CCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000190173742 1120495426 /nfs/dbraw/zinc/49/54/26/1120495426.db2.gz WCBJKDCKDDDHAV-HNNXBMFYSA-N 0 1 265.784 3.846 20 0 CHADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+](C)[C@@H](C)c1cccs1 ZINC001593722745 996252955 /nfs/dbraw/zinc/25/29/55/996252955.db2.gz BOCRKLMFZWRINB-DTWKUNHWSA-N 0 1 296.417 3.657 20 0 CHADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+](C)[C@@H](C)c1cccs1 ZINC001593722745 996252958 /nfs/dbraw/zinc/25/29/58/996252958.db2.gz BOCRKLMFZWRINB-DTWKUNHWSA-N 0 1 296.417 3.657 20 0 CHADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+]1CCCC2(CCCC2)C1 ZINC001593732119 996307836 /nfs/dbraw/zinc/30/78/36/996307836.db2.gz OJSNGYSKMOVVPF-LLVKDONJSA-N 0 1 294.420 3.559 20 0 CHADMN CCC[C@@H](C)CCCN1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000625214166 1120648442 /nfs/dbraw/zinc/64/84/42/1120648442.db2.gz FTXMJBPXFUQDLC-KGLIPLIRSA-N 0 1 294.405 3.771 20 0 CHADMN CC1(C)C[N@H+](Cc2occc2C(=O)[O-])[C@@H]1c1cccs1 ZINC001593945004 996985089 /nfs/dbraw/zinc/98/50/89/996985089.db2.gz LGECDSGKLYHTST-CYBMUJFWSA-N 0 1 291.372 3.622 20 0 CHADMN CC1(C)C[N@@H+](Cc2occc2C(=O)[O-])[C@@H]1c1cccs1 ZINC001593945004 996985093 /nfs/dbraw/zinc/98/50/93/996985093.db2.gz LGECDSGKLYHTST-CYBMUJFWSA-N 0 1 291.372 3.622 20 0 CHADMN F[C@@](Cl)(OC1CCN(C2CC2)CC1)c1ccccc1 ZINC001222957523 1120842326 /nfs/dbraw/zinc/84/23/26/1120842326.db2.gz NZYXYMLCTSKCHV-OAHLLOKOSA-N 0 1 283.774 3.649 20 0 CHADMN Fc1cc(CN2CCC[C@@H]2C2CC2)ccc1Br ZINC000674005833 1121033181 /nfs/dbraw/zinc/03/31/81/1121033181.db2.gz NTWVAFWZOAPGHF-CQSZACIVSA-N 0 1 298.199 3.963 20 0 CHADMN CC(C)c1nnc(CN2CC(C)(C)CCC2(C)C)o1 ZINC000625722832 1121070230 /nfs/dbraw/zinc/07/02/30/1121070230.db2.gz GCUSNPCUKKFDDL-UHFFFAOYSA-N 0 1 265.401 3.594 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001594292753 999129487 /nfs/dbraw/zinc/12/94/87/999129487.db2.gz MRAARDNPFGLIQF-CWVYHPPDSA-N 0 1 279.424 3.530 20 0 CHADMN C[C@H](O)C[C@@H]1CCCCN1Cc1c(F)cccc1Cl ZINC000123842995 1121274738 /nfs/dbraw/zinc/27/47/38/1121274738.db2.gz JGCKMTIHVXSTOL-RYUDHWBXSA-N 0 1 285.790 3.605 20 0 CHADMN CC(C)C[C@@]1(C)CCCN1Cc1nc(C(C)C)no1 ZINC000451292012 1121733039 /nfs/dbraw/zinc/73/30/39/1121733039.db2.gz SDFMMLXQFMDPSF-OAHLLOKOSA-N 0 1 265.401 3.594 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1Cc1cc(F)ncc1F ZINC001179850129 1121915486 /nfs/dbraw/zinc/91/54/86/1121915486.db2.gz QZUACYRQNCGSMN-RISCZKNCSA-N 0 1 268.351 3.760 20 0 CHADMN CC[C@H](C)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000501140780 1121959381 /nfs/dbraw/zinc/95/93/81/1121959381.db2.gz LJOWBTPNMYMURU-VIFPVBQESA-N 0 1 289.206 3.662 20 0 CHADMN CCCOc1ccc(CN2CCCC[C@@H](F)C2)cc1 ZINC001204306747 1122074174 /nfs/dbraw/zinc/07/41/74/1122074174.db2.gz YRRINEIPCIXYKW-OAHLLOKOSA-N 0 1 265.372 3.799 20 0 CHADMN CC(C)N(Cc1ccc(SC(F)F)cc1)C1COC1 ZINC001181986752 1122102541 /nfs/dbraw/zinc/10/25/41/1122102541.db2.gz NAQGPVGAILQWBY-UHFFFAOYSA-N 0 1 287.375 3.611 20 0 CHADMN CCn1ccc(CN2CC[C@H](C(C)(C)C)C[C@H]2C)n1 ZINC001182181878 1122115668 /nfs/dbraw/zinc/11/56/68/1122115668.db2.gz BSOAFDUJIXZKLJ-KGLIPLIRSA-N 0 1 263.429 3.550 20 0 CHADMN Cc1cc(Cc2ccccc2C(F)(F)F)cnc1N ZINC001250100930 1122204122 /nfs/dbraw/zinc/20/41/22/1122204122.db2.gz LTHKRXFJAKMIDE-UHFFFAOYSA-N 0 1 266.266 3.582 20 0 CHADMN COc1c(F)cc(F)cc1CN1CCC[C@@H](C)[C@@H]1C ZINC001143558504 1122276683 /nfs/dbraw/zinc/27/66/83/1122276683.db2.gz YQJGQYPLPKKLKP-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN CCSCCO[C@@H](C(=O)c1ccco1)c1ccco1 ZINC001205342024 1122370000 /nfs/dbraw/zinc/37/00/00/1122370000.db2.gz FEXKBYXRWNJMTE-CQSZACIVSA-N 0 1 280.345 3.566 20 0 CHADMN CCSCCOC(C(=O)c1ccco1)c1ccco1 ZINC001205342024 1122370005 /nfs/dbraw/zinc/37/00/05/1122370005.db2.gz FEXKBYXRWNJMTE-CQSZACIVSA-N 0 1 280.345 3.566 20 0 CHADMN CC(C)N(C(=O)c1ccc(O)c(C(F)(F)F)c1)C(C)C ZINC001188561846 1122466158 /nfs/dbraw/zinc/46/61/58/1122466158.db2.gz CTXFXYDSGJXATA-UHFFFAOYSA-N 0 1 289.297 3.670 20 0 CHADMN C[C@H]1CC[C@H](NC(=O)Nc2cccc(Cl)c2O)CC1 ZINC001191823273 1122617565 /nfs/dbraw/zinc/61/75/65/1122617565.db2.gz IYAXXQRJYCXKOC-MGCOHNPYSA-N 0 1 282.771 3.746 20 0 CHADMN FCCNCc1cccc(OCC2CCCCC2)c1 ZINC000437246710 1122624033 /nfs/dbraw/zinc/62/40/33/1122624033.db2.gz BBVSGVYTTKGMPD-UHFFFAOYSA-N 0 1 265.372 3.705 20 0 CHADMN Cc1ccc(N[C@H](C)CCCC(F)(F)F)c(N(C)C)n1 ZINC000775541224 1122653644 /nfs/dbraw/zinc/65/36/44/1122653644.db2.gz UKRHZGQJZDCCCU-SNVBAGLBSA-N 0 1 289.345 3.989 20 0 CHADMN Fc1cc2nc(-c3ccncc3F)[nH]c2c(Cl)c1 ZINC001250518838 1122692568 /nfs/dbraw/zinc/69/25/68/1122692568.db2.gz VGJJTEITAOWMLU-UHFFFAOYSA-N 0 1 265.650 3.557 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2scnc2Cl)C1 ZINC001193495856 1122693103 /nfs/dbraw/zinc/69/31/03/1122693103.db2.gz DHFGQRPZLGPHQJ-JTQLQIEISA-N 0 1 258.818 3.665 20 0 CHADMN CCN(Cc1cc(F)ccc1Br)C(C)C ZINC000506327954 1122718558 /nfs/dbraw/zinc/71/85/58/1122718558.db2.gz WGXINOHIDQGBGL-UHFFFAOYSA-N 0 1 274.177 3.819 20 0 CHADMN CC[C@H]1CN([C@H](C)c2cc(F)ccc2F)CCCO1 ZINC000439483799 1122785246 /nfs/dbraw/zinc/78/52/46/1122785246.db2.gz MGUHAFAYTAQDIX-YPMHNXCESA-N 0 1 269.335 3.527 20 0 CHADMN C[C@H](CN([C@@H](C)C(=O)OC(C)(C)C)C1CC1)C(C)(C)C ZINC001195044698 1122834782 /nfs/dbraw/zinc/83/47/82/1122834782.db2.gz BOSCRWVRTYWAEU-OLZOCXBDSA-N 0 1 283.456 3.863 20 0 CHADMN Fc1cccc(CN2C[C@H]3CCC[C@@H]3C2)c1Br ZINC000160158945 1122942824 /nfs/dbraw/zinc/94/28/24/1122942824.db2.gz MIZXUDKGSBKJAY-GHMZBOCLSA-N 0 1 298.199 3.820 20 0 CHADMN CCN(CC)CC(=O)Nc1ccccc1CCC(C)C ZINC000519899706 1123034971 /nfs/dbraw/zinc/03/49/71/1123034971.db2.gz KQPVNCXTNBGSTP-UHFFFAOYSA-N 0 1 276.424 3.556 20 0 CHADMN CCCCCN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001201737479 1123143328 /nfs/dbraw/zinc/14/33/28/1123143328.db2.gz PIJMZQUXWBJCHX-NSHDSACASA-N 0 1 261.291 3.533 20 0 CHADMN CC(C)OC1CC(N2CCc3cccc(Cl)c3C2)C1 ZINC000335586249 1123380180 /nfs/dbraw/zinc/38/01/80/1123380180.db2.gz DGECVSDZOIKRMD-UHFFFAOYSA-N 0 1 279.811 3.654 20 0 CHADMN CC(C)CCC(=O)Nc1cc(F)cc(Cl)c1O ZINC000474440858 1123530878 /nfs/dbraw/zinc/53/08/78/1123530878.db2.gz VQTVSPCGSGDKOP-UHFFFAOYSA-N 0 1 259.708 3.559 20 0 CHADMN C[C@H](N[C@H]1CCC[C@@H](C)C1)c1nc(C(C)(C)C)no1 ZINC000179149635 1123598092 /nfs/dbraw/zinc/59/80/92/1123598092.db2.gz NJLQVLXCIUPCLU-WOPDTQHZSA-N 0 1 265.401 3.596 20 0 CHADMN Cc1c(CN2CC[C@H](C(F)(F)F)C2(C)C)ccnc1F ZINC000862338183 1123799777 /nfs/dbraw/zinc/79/97/77/1123799777.db2.gz MEZSMCNCLBDCQN-NSHDSACASA-N 0 1 290.304 3.692 20 0 CHADMN Cc1c(Cl)cccc1CN[C@@H](C)c1ccns1 ZINC000865645088 1124001590 /nfs/dbraw/zinc/00/15/90/1124001590.db2.gz PHZSWPUBIVHEEL-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN CC(C)N(Cc1nc(C2CCCCC2)cs1)C[C@H](C)O ZINC000444607606 1124045660 /nfs/dbraw/zinc/04/56/60/1124045660.db2.gz JEVPJSCKGNUHPU-ZDUSSCGKSA-N 0 1 296.480 3.782 20 0 CHADMN CC[C@H](O)[C@@H]1CCCCN1Cc1ccc(Cl)c(F)c1 ZINC000526942107 1124530437 /nfs/dbraw/zinc/53/04/37/1124530437.db2.gz KCAXBSBXZJKQSI-GJZGRUSLSA-N 0 1 285.790 3.605 20 0 CHADMN Cc1cnc(CNCCSCc2ccc(C)cc2)s1 ZINC000449058319 1124643136 /nfs/dbraw/zinc/64/31/36/1124643136.db2.gz ICCGSFLYJIOLGE-UHFFFAOYSA-N 0 1 292.473 3.783 20 0 CHADMN C/C(Cl)=C\CN1CCC[C@H]1c1cccc(C)n1 ZINC000528403129 1124654127 /nfs/dbraw/zinc/65/41/27/1124654127.db2.gz BGTSFBUWHOXQFB-ZHZWZMEUSA-N 0 1 250.773 3.670 20 0 CHADMN FC(F)(F)c1ncccc1CN1CCCC12CCC2 ZINC000528477439 1124675676 /nfs/dbraw/zinc/67/56/76/1124675676.db2.gz MPMHZQZMJJFCPW-UHFFFAOYSA-N 0 1 270.298 3.619 20 0 CHADMN C[C@@H](CCC1CCCC1)NCc1nn(C)cc1Cl ZINC000449477749 1124754640 /nfs/dbraw/zinc/75/46/40/1124754640.db2.gz IZCZUFUGURALCE-NSHDSACASA-N 0 1 269.820 3.522 20 0 CHADMN CC(C)(C)c1cnc(CN2CC[C@H]3CSC[C@@H]3C2)s1 ZINC000877738750 1125072738 /nfs/dbraw/zinc/07/27/38/1125072738.db2.gz PUZNHMWLYKVARG-RYUDHWBXSA-N 0 1 296.505 3.626 20 0 CHADMN CCc1cc(CN[C@H](CC)c2sccc2Cl)[nH]n1 ZINC000883190273 1125375971 /nfs/dbraw/zinc/37/59/71/1125375971.db2.gz YWUMJARXZWMRCI-GFCCVEGCSA-N 0 1 283.828 3.928 20 0 CHADMN CCCc1ccc(CN2CCOC[C@H]2C(C)C)s1 ZINC001138525844 1131515575 /nfs/dbraw/zinc/51/55/75/1131515575.db2.gz KZVDKRYWEILINK-HNNXBMFYSA-N 0 1 267.438 3.557 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CCCCCCCC1 ZINC000831926922 1131521009 /nfs/dbraw/zinc/52/10/09/1131521009.db2.gz ZAXMHNJBDHTRKF-LBPRGKRZSA-N 0 1 263.385 3.664 20 0 CHADMN CCC(CC)N(C)Cc1c(F)ccc(OC)c1F ZINC001143980588 1131566783 /nfs/dbraw/zinc/56/67/83/1131566783.db2.gz QEECJJOIDZOYRA-UHFFFAOYSA-N 0 1 257.324 3.594 20 0 CHADMN CCOc1c(F)cc(CN2CCC[C@H](C)C2)cc1F ZINC001144017432 1131571905 /nfs/dbraw/zinc/57/19/05/1131571905.db2.gz KHWMRKPZJIOITK-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CO[C@@H]1CCCN(Cc2cc(C(F)(F)F)ccc2C)C1 ZINC001139883863 1131646367 /nfs/dbraw/zinc/64/63/67/1131646367.db2.gz LITFYUSYZUCONU-CQSZACIVSA-N 0 1 287.325 3.625 20 0 CHADMN C[C@@H]1CCCN1Cc1sc(NC(C)(C)C)nc1Cl ZINC001140390525 1131712089 /nfs/dbraw/zinc/71/20/89/1131712089.db2.gz RCRLYAJEJBZUIK-SECBINFHSA-N 0 1 287.860 3.991 20 0 CHADMN O=C(N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C(F)(F)F ZINC000839831357 1131812714 /nfs/dbraw/zinc/81/27/14/1131812714.db2.gz UFAXIFSUWNORLR-MWLCHTKSSA-N 0 1 291.700 3.655 20 0 CHADMN Fc1cc(F)cc(CN2CCCC3(CCC3)C2)c1 ZINC000348195722 1131896161 /nfs/dbraw/zinc/89/61/61/1131896161.db2.gz YUPKMICJJGHBEI-UHFFFAOYSA-N 0 1 251.320 3.731 20 0 CHADMN COc1cc(F)c(CN2CCCCCCC2)c(F)c1 ZINC001140827095 1131938557 /nfs/dbraw/zinc/93/85/57/1131938557.db2.gz VRMDKQHJBDUKAG-UHFFFAOYSA-N 0 1 269.335 3.740 20 0 CHADMN COc1cc(F)c(CN(C)CC2CCCC2)c(F)c1 ZINC001140828899 1131939351 /nfs/dbraw/zinc/93/93/51/1131939351.db2.gz ZYFPGMFKUXMQHL-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1c(Cl)ccnc1OC ZINC001248794663 1132114597 /nfs/dbraw/zinc/11/45/97/1132114597.db2.gz XTXNYYUWNMMGLV-GFCCVEGCSA-N 0 1 282.815 3.898 20 0 CHADMN CC[C@@H](Oc1nc[nH]c(=O)c1Cl)C1CCCCC1 ZINC001230016276 1132146029 /nfs/dbraw/zinc/14/60/29/1132146029.db2.gz DOLZNWXOEFWOFS-SNVBAGLBSA-N 0 1 270.760 3.573 20 0 CHADMN CC(C)COCC[C@H](C)N1CCC[C@@H]1c1nccs1 ZINC001172475493 1132226288 /nfs/dbraw/zinc/22/62/88/1132226288.db2.gz KCPAJRRGXYQXMB-UONOGXRCSA-N 0 1 282.453 3.731 20 0 CHADMN CCCOC1CCC(N[C@H]2CCCC2(F)F)CC1 ZINC001173093054 1132384608 /nfs/dbraw/zinc/38/46/08/1132384608.db2.gz LEOQZKVIRQINIA-BPCQOVAHSA-N 0 1 261.356 3.502 20 0 CHADMN FC(F)(F)c1cnc(Cl)c(CN2CCC[C@H]3C[C@H]32)c1 ZINC001232010270 1132411799 /nfs/dbraw/zinc/41/17/99/1132411799.db2.gz DZNQLHLURDIIFU-GZMMTYOYSA-N 0 1 290.716 3.738 20 0 CHADMN FC(F)(F)c1cnc(Cl)c(CN2CCC[C@@H]3C[C@@H]32)c1 ZINC001232010271 1132411814 /nfs/dbraw/zinc/41/18/14/1132411814.db2.gz DZNQLHLURDIIFU-KCJUWKMLSA-N 0 1 290.716 3.738 20 0 CHADMN COc1cc(Cl)cc(F)c1CN(C)C(C)(C)C ZINC001233004299 1132561227 /nfs/dbraw/zinc/56/12/27/1132561227.db2.gz NETWESOAWQFVRQ-UHFFFAOYSA-N 0 1 259.752 3.718 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CCC[C@@H](C)CC1 ZINC001233166601 1132576908 /nfs/dbraw/zinc/57/69/08/1132576908.db2.gz DYOKVQBNDIMRTB-GFCCVEGCSA-N 0 1 282.815 3.756 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(F)c(OC)cc2F)C1 ZINC001233344218 1132606673 /nfs/dbraw/zinc/60/66/73/1132606673.db2.gz TZKDABHWOIFTKH-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN Fc1cc(CN2CCC(F)CC2)ccc1C(F)(F)F ZINC001204855723 1133492638 /nfs/dbraw/zinc/49/26/38/1133492638.db2.gz CCFVURBHTSBOSD-UHFFFAOYSA-N 0 1 279.252 3.778 20 0 CHADMN Cc1cc(CN(Cc2ccco2)C(C)C)cc(C)n1 ZINC001205060792 1133522140 /nfs/dbraw/zinc/52/21/40/1133522140.db2.gz MUKVQJZQNLFUHO-UHFFFAOYSA-N 0 1 258.365 3.702 20 0 CHADMN Cc1cnc([C@@H](C)CNCc2c(Cl)ccnc2F)s1 ZINC001205299313 1133556976 /nfs/dbraw/zinc/55/69/76/1133556976.db2.gz NSHWOFMFVAGBQE-QMMMGPOBSA-N 0 1 299.802 3.532 20 0 CHADMN COCc1ccc(Cl)c(-c2cc(N(C)C)ccn2)c1 ZINC001222238579 1135212591 /nfs/dbraw/zinc/21/25/91/1135212591.db2.gz JZLRMAGBCFFELM-UHFFFAOYSA-N 0 1 276.767 3.614 20 0 CHADMN C[C@@H](OCc1cnc[nH]1)c1cc(Br)ccc1F ZINC001222999628 1135293132 /nfs/dbraw/zinc/29/31/32/1135293132.db2.gz DHKNXIYKUTYIFW-MRVPVSSYSA-N 0 1 299.143 3.589 20 0 CHADMN Cc1cc(=O)[nH]c(O[C@H](C)c2ccc(Cl)c(Cl)c2)n1 ZINC001226156548 1135669211 /nfs/dbraw/zinc/66/92/11/1135669211.db2.gz OECLRPXITONGOZ-MRVPVSSYSA-N 0 1 299.157 3.937 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)s1 ZINC000050925016 1125508057 /nfs/dbraw/zinc/50/80/57/1125508057.db2.gz BWVPFGMTKUGTOO-JTQLQIEISA-N 0 1 287.812 3.621 20 0 CHADMN COCCCCN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000117884427 1125517880 /nfs/dbraw/zinc/51/78/80/1125517880.db2.gz HSOHKRFYORQSNV-OAHLLOKOSA-N 0 1 299.867 3.857 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1Cc1nnc(C(C)C)o1 ZINC000135335407 1125523002 /nfs/dbraw/zinc/52/30/02/1125523002.db2.gz QQVRBZOZCJUPSS-STQMWFEESA-N 0 1 265.401 3.594 20 0 CHADMN C[C@@H]1SCCN(Cc2cccnc2)[C@H]1c1ccccc1 ZINC000118534550 1125523257 /nfs/dbraw/zinc/52/32/57/1125523257.db2.gz JNDWEPCEUPJGHM-WMLDXEAASA-N 0 1 284.428 3.760 20 0 CHADMN Cc1noc(CN2CCC[C@@H]2CCC2CCCCC2)n1 ZINC000135298540 1125523499 /nfs/dbraw/zinc/52/34/99/1125523499.db2.gz ARJYKUBGGFJPEO-OAHLLOKOSA-N 0 1 277.412 3.703 20 0 CHADMN C[C@@H](NCc1nc(-c2ccc(F)c(F)c2)no1)C(C)(C)C ZINC000135226315 1125524286 /nfs/dbraw/zinc/52/42/86/1125524286.db2.gz YYEPXICPPPKTEH-SECBINFHSA-N 0 1 295.333 3.539 20 0 CHADMN CCCCC(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000120196609 1125542684 /nfs/dbraw/zinc/54/26/84/1125542684.db2.gz IZQDXOJHVGCJGR-CQSZACIVSA-N 0 1 299.418 3.768 20 0 CHADMN CCN(CCc1ccccc1)Cc1csc(C)n1 ZINC000120478345 1125547087 /nfs/dbraw/zinc/54/70/87/1125547087.db2.gz URJFESFYXYATRR-UHFFFAOYSA-N 0 1 260.406 3.516 20 0 CHADMN Cc1nc(CNCc2cccc3cc[nH]c32)sc1C ZINC000237734748 1125567477 /nfs/dbraw/zinc/56/74/77/1125567477.db2.gz ZFZOCSKVAQIIJW-UHFFFAOYSA-N 0 1 271.389 3.531 20 0 CHADMN CCC(C)(C)N(C)CC(=O)c1cc(C)n(C2CC2)c1C ZINC000348327772 1125578308 /nfs/dbraw/zinc/57/83/08/1125578308.db2.gz KENPTBKCWLPJDQ-UHFFFAOYSA-N 0 1 276.424 3.743 20 0 CHADMN C[C@@H]1CC=CC[C@H]1[NH2+]Cc1cccc([O-])c1Br ZINC001204011536 1125590391 /nfs/dbraw/zinc/59/03/91/1125590391.db2.gz CVCDLIYCRSIHPN-ZYHUDNBSSA-N 0 1 296.208 3.599 20 0 CHADMN CC(C)c1ccccc1NC(=O)c1ccn2cncc2c1 ZINC000096785995 1125591493 /nfs/dbraw/zinc/59/14/93/1125591493.db2.gz MKTSEESPBSGJHE-UHFFFAOYSA-N 0 1 279.343 3.710 20 0 CHADMN Clc1cc(CN2CCS[C@@H]3CCCC[C@H]32)ccn1 ZINC000246129884 1125604659 /nfs/dbraw/zinc/60/46/59/1125604659.db2.gz MGDUFTCLWLFALO-CHWSQXEVSA-N 0 1 282.840 3.595 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1nc2cc(Cl)ccc2n1C ZINC000533448369 1125608747 /nfs/dbraw/zinc/60/87/47/1125608747.db2.gz LBSDRLAOXTZOGV-NWDGAFQWSA-N 0 1 291.826 3.847 20 0 CHADMN COc1ncc(CN(C)Cc2cccc(C)c2)cc1Cl ZINC000533559005 1125615979 /nfs/dbraw/zinc/61/59/79/1125615979.db2.gz AEMKJHMSAPYLBU-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN CCN(c1ccc(NCc2[nH]nc(C)c2C)cc1)C(C)C ZINC000885930607 1125627635 /nfs/dbraw/zinc/62/76/35/1125627635.db2.gz BSXRKIPQKWSKMM-UHFFFAOYSA-N 0 1 286.423 3.873 20 0 CHADMN Cc1coc(CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000885913964 1125626110 /nfs/dbraw/zinc/62/61/10/1125626110.db2.gz LRDACZGTICGSGZ-ZDUSSCGKSA-N 0 1 298.386 3.787 20 0 CHADMN COc1cc(C)cc(CNCc2cccc(C)c2)c1OC ZINC000885909838 1125626142 /nfs/dbraw/zinc/62/61/42/1125626142.db2.gz ADTCBMDGKMGMAZ-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN c1cc(CN[C@H](CCc2ccccc2)c2ccccc2)n[nH]1 ZINC000066990566 1125626494 /nfs/dbraw/zinc/62/64/94/1125626494.db2.gz CHAPXDDXGKABGP-LJQANCHMSA-N 0 1 291.398 3.873 20 0 CHADMN CCCN(C)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000069092391 1125629161 /nfs/dbraw/zinc/62/91/61/1125629161.db2.gz JPMHHEZFJFXQSW-SNVBAGLBSA-N 0 1 279.771 3.793 20 0 CHADMN CC[C@H](NCc1[nH]nc(C)c1C)c1ccc(Cl)s1 ZINC000885985863 1125632780 /nfs/dbraw/zinc/63/27/80/1125632780.db2.gz SXWKMFLBNKFFJT-JTQLQIEISA-N 0 1 283.828 3.982 20 0 CHADMN CCC[C@@H]1CCCN([C@H](C)c2nc(C3CC3)no2)C1 ZINC000246437408 1125634640 /nfs/dbraw/zinc/63/46/40/1125634640.db2.gz DCJNCTCIHISEQN-VXGBXAGGSA-N 0 1 263.385 3.520 20 0 CHADMN Cc1[nH]nc(CNc2ccccc2N2CCCCC2)c1C ZINC000886026576 1125637899 /nfs/dbraw/zinc/63/78/99/1125637899.db2.gz YQSVXXHXTRDKCQ-UHFFFAOYSA-N 0 1 284.407 3.629 20 0 CHADMN CSCc1cccc(NCc2n[nH]c(C)c2C)c1 ZINC000886036034 1125638953 /nfs/dbraw/zinc/63/89/53/1125638953.db2.gz SICAZMGWCFQKSW-UHFFFAOYSA-N 0 1 261.394 3.502 20 0 CHADMN Cc1[nH]nc(CNc2ccc(OC(C)C)c(C)c2)c1C ZINC000886037322 1125639206 /nfs/dbraw/zinc/63/92/06/1125639206.db2.gz IATOGDCCFWZPKV-UHFFFAOYSA-N 0 1 273.380 3.734 20 0 CHADMN Cc1[nH]nc(CNc2cccc(CC(F)(F)F)c2)c1C ZINC000886037430 1125639338 /nfs/dbraw/zinc/63/93/38/1125639338.db2.gz JRLUPECEVLMWMD-UHFFFAOYSA-N 0 1 283.297 3.743 20 0 CHADMN CC[C@H](C)CN1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246461887 1125639957 /nfs/dbraw/zinc/63/99/57/1125639957.db2.gz MEHRJWSKAUAMTQ-SCRDCRAPSA-N 0 1 253.411 3.556 20 0 CHADMN Cc1coc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000886046682 1125640982 /nfs/dbraw/zinc/64/09/82/1125640982.db2.gz LXUKCIMGRKZXGR-QAPCUYQASA-N 0 1 285.387 3.846 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246498200 1125642411 /nfs/dbraw/zinc/64/24/11/1125642411.db2.gz DXZQUEBQBINQPM-JMSVASOKSA-N 0 1 281.346 3.527 20 0 CHADMN Cc1coc(CN[C@H]2CCCc3nc(C)sc32)c1 ZINC000886060086 1125643717 /nfs/dbraw/zinc/64/37/17/1125643717.db2.gz UBRSPCQDHRUHEJ-LBPRGKRZSA-N 0 1 262.378 3.520 20 0 CHADMN CC[C@@]1(C)Oc2ccc(NCc3n[nH]c(C)c3C)cc2O1 ZINC000886083949 1125644277 /nfs/dbraw/zinc/64/42/77/1125644277.db2.gz OKJDHWRODPDXJX-INIZCTEOSA-N 0 1 287.363 3.536 20 0 CHADMN F[C@@H]1C[C@@H]2C[C@H]1CN2Cc1ccc2cccc(Cl)c2n1 ZINC001137224545 1125644938 /nfs/dbraw/zinc/64/49/38/1125644938.db2.gz MRHRSSOSCYRXDB-CORIIIEPSA-N 0 1 290.769 3.821 20 0 CHADMN CC[C@@](C)(NCCSC(F)(F)F)c1nccs1 ZINC000886069823 1125645119 /nfs/dbraw/zinc/64/51/19/1125645119.db2.gz KUMHBEWDVBOWOH-SECBINFHSA-N 0 1 284.372 3.611 20 0 CHADMN CCO[C@H](C)c1noc(CN2CCCC[C@H]2CC(C)C)n1 ZINC000246649935 1125646994 /nfs/dbraw/zinc/64/69/94/1125646994.db2.gz VDXSKFNGFRGGBQ-KGLIPLIRSA-N 0 1 295.427 3.568 20 0 CHADMN C[C@H]1CCCN(Cc2nccn2Cc2ccccc2)[C@H]1C ZINC000246738741 1125647624 /nfs/dbraw/zinc/64/76/24/1125647624.db2.gz MPEUACCEESHQMJ-HOTGVXAUSA-N 0 1 283.419 3.552 20 0 CHADMN Cc1coc(CN[C@@H]2CCCc3ccc(F)cc32)c1 ZINC000886099931 1125648979 /nfs/dbraw/zinc/64/89/79/1125648979.db2.gz AAKLCKOJHQDJNK-MRXNPFEDSA-N 0 1 259.324 3.894 20 0 CHADMN Cc1cc([C@@H](C)NCCc2ccccc2Cl)no1 ZINC000282949265 1125649367 /nfs/dbraw/zinc/64/93/67/1125649367.db2.gz ZESSZDHOIUZLMN-LLVKDONJSA-N 0 1 264.756 3.530 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1[nH]nc(C)c1C ZINC000886104869 1125650656 /nfs/dbraw/zinc/65/06/56/1125650656.db2.gz MPLWFIADPDKNQH-LBPRGKRZSA-N 0 1 275.421 3.599 20 0 CHADMN CC(C)[C@@H](NCC[C@@H]1C[C@H]1C1CC1)c1nc(C2CC2)no1 ZINC000886114688 1125651610 /nfs/dbraw/zinc/65/16/10/1125651610.db2.gz UWHJCLZADNFGOZ-QLFBSQMISA-N 0 1 289.423 3.670 20 0 CHADMN Cc1csc(C2(NCCOC3CCCCC3)CCC2)n1 ZINC000886130256 1125654038 /nfs/dbraw/zinc/65/40/38/1125654038.db2.gz ZWPHGIXWFVYZKU-UHFFFAOYSA-N 0 1 294.464 3.770 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@@H]2CC[C@@H](C3CC3)O2)cs1 ZINC000886129416 1125654259 /nfs/dbraw/zinc/65/42/59/1125654259.db2.gz FBDFGJSNPWYEQL-WHOFXGATSA-N 0 1 294.464 3.875 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)[N@@H+](C)C[C@H]1CCCO1 ZINC000247160564 1125654697 /nfs/dbraw/zinc/65/46/97/1125654697.db2.gz SSMGCIWYFSJAOO-IUODEOHRSA-N 0 1 269.335 3.527 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N(C)C[C@H]1CCCO1 ZINC000247160564 1125654699 /nfs/dbraw/zinc/65/46/99/1125654699.db2.gz SSMGCIWYFSJAOO-IUODEOHRSA-N 0 1 269.335 3.527 20 0 CHADMN Cc1n[nH]c(CNC2(c3cccc(Cl)c3)CCC2)c1C ZINC000886151555 1125656581 /nfs/dbraw/zinc/65/65/81/1125656581.db2.gz MNNMTOBVKZWLRW-UHFFFAOYSA-N 0 1 289.810 3.849 20 0 CHADMN Cc1[nH]nc(CNc2ccc(F)c(C(F)(F)F)c2)c1C ZINC000886186155 1125659896 /nfs/dbraw/zinc/65/98/96/1125659896.db2.gz QTVCGDBBMHOOAF-UHFFFAOYSA-N 0 1 287.260 3.797 20 0 CHADMN CC(C)CCN1Cc2cccc(NC(=O)c3ccoc3)c2C1 ZINC000076171213 1125670525 /nfs/dbraw/zinc/67/05/25/1125670525.db2.gz IBMDJQKTKUZSDB-UHFFFAOYSA-N 0 1 298.386 3.894 20 0 CHADMN CSc1ccc(CN[C@H]2CCc3cccnc32)cc1 ZINC000886511562 1125681887 /nfs/dbraw/zinc/68/18/87/1125681887.db2.gz XRICZQBYPABKSX-HNNXBMFYSA-N 0 1 270.401 3.581 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@@H]2CCc3cccnc32)c1 ZINC000886517937 1125683125 /nfs/dbraw/zinc/68/31/25/1125683125.db2.gz XNGGLXYRQDZESS-CXAGYDPISA-N 0 1 282.387 3.818 20 0 CHADMN Cc1cccnc1[C@H](N[C@@H]1CCc2cccnc21)C(C)C ZINC000886528543 1125684435 /nfs/dbraw/zinc/68/44/35/1125684435.db2.gz NVFVKPFMOLVOAH-HZPDHXFCSA-N 0 1 281.403 3.759 20 0 CHADMN CC(C)[C@@H](NCc1cccc(Cl)c1F)c1cnn(C)c1 ZINC000886534757 1125685945 /nfs/dbraw/zinc/68/59/45/1125685945.db2.gz NUEYHLMCVUNMEC-OAHLLOKOSA-N 0 1 295.789 3.700 20 0 CHADMN Cc1cnc(CN2CC[C@@H](C)[C@H]2c2ccccc2)o1 ZINC000886541265 1125687378 /nfs/dbraw/zinc/68/73/78/1125687378.db2.gz SQOKCJMZHQOJRA-WBMJQRKESA-N 0 1 256.349 3.566 20 0 CHADMN CCCC[C@@H](NCc1cc(C)nn1C)c1ccc(F)cc1 ZINC000284213496 1125688740 /nfs/dbraw/zinc/68/87/40/1125688740.db2.gz GXXMUFKMNOUTOT-QGZVFWFLSA-N 0 1 289.398 3.889 20 0 CHADMN CCCCC[C@H](O)CNc1ccc(N(CC)CC)cc1 ZINC001253523566 1125691743 /nfs/dbraw/zinc/69/17/43/1125691743.db2.gz ZQOHPJFCNNMFRJ-KRWDZBQOSA-N 0 1 278.440 3.886 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@H]1CCc3cccnc31)CCC2 ZINC000886605022 1125697065 /nfs/dbraw/zinc/69/70/65/1125697065.db2.gz ICIVVCJXWIQHPR-IRXDYDNUSA-N 0 1 282.362 3.875 20 0 CHADMN CC(C)(C)c1ccncc1CN[C@H]1CCc2cccnc21 ZINC000886625418 1125699519 /nfs/dbraw/zinc/69/95/19/1125699519.db2.gz QNOCWSMBBSTIDN-INIZCTEOSA-N 0 1 281.403 3.551 20 0 CHADMN CN1CCC[C@H](N[C@@H]2CCc3cccnc32)c2ccccc21 ZINC000886622651 1125699786 /nfs/dbraw/zinc/69/97/86/1125699786.db2.gz ZNDDZPYZXUEACN-DLBZAZTESA-N 0 1 293.414 3.630 20 0 CHADMN c1ccc([C@H](N[C@H]2CCc3cccnc32)C2CCC2)nc1 ZINC000886641450 1125700564 /nfs/dbraw/zinc/70/05/64/1125700564.db2.gz JYIOEFOWNDKEOP-FUHWJXTLSA-N 0 1 279.387 3.595 20 0 CHADMN CC(C)[C@H](NCc1ccc(C(C)(C)C)o1)c1cnn(C)c1 ZINC000886647946 1125701976 /nfs/dbraw/zinc/70/19/76/1125701976.db2.gz HJQUWDMRYUOWRY-INIZCTEOSA-N 0 1 289.423 3.798 20 0 CHADMN C[C@H](NCc1cscc1Cl)c1cccc(CO)c1 ZINC000886656689 1125703343 /nfs/dbraw/zinc/70/33/43/1125703343.db2.gz OOOINTUFHRPMRL-JTQLQIEISA-N 0 1 281.808 3.745 20 0 CHADMN Cc1cc2c(c(C)c1)[C@@H](NCc1cc(C3CC3)no1)CC2 ZINC000886684516 1125706508 /nfs/dbraw/zinc/70/65/08/1125706508.db2.gz MXJWVOJQDMEFNG-INIZCTEOSA-N 0 1 282.387 3.946 20 0 CHADMN CC[C@@H](NCc1cc(C2CC2)no1)c1ccc2c(c1)CCO2 ZINC000886683013 1125707489 /nfs/dbraw/zinc/70/74/89/1125707489.db2.gz VGBNVDNKWWCVRT-MRXNPFEDSA-N 0 1 298.386 3.728 20 0 CHADMN CSC1(CN[C@H](C)c2cc(C)on2)CCCCC1 ZINC000886741097 1125715012 /nfs/dbraw/zinc/71/50/12/1125715012.db2.gz VAMHRHUBHJRWMR-GFCCVEGCSA-N 0 1 268.426 3.700 20 0 CHADMN COc1cccc2c1CCC[C@@H]2NCc1cc(C2CC2)no1 ZINC000886684217 1125707602 /nfs/dbraw/zinc/70/76/02/1125707602.db2.gz HKSLJYDHQDELIT-INIZCTEOSA-N 0 1 298.386 3.728 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1CCC[C@@H](C)C1 ZINC000253602028 1125719949 /nfs/dbraw/zinc/71/99/49/1125719949.db2.gz HHAILRQRTTVFJY-MNOVXSKESA-N 0 1 277.393 3.591 20 0 CHADMN Cc1nnc(CSc2nc3ccc(Cl)cc3[nH]2)s1 ZINC000358570308 1125724152 /nfs/dbraw/zinc/72/41/52/1125724152.db2.gz MPIYJINONGDLGQ-UHFFFAOYSA-N 0 1 296.808 3.669 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1cccc(Cl)n1 ZINC000886926522 1125726019 /nfs/dbraw/zinc/72/60/19/1125726019.db2.gz RLPLVNFCYYMRED-CQSZACIVSA-N 0 1 276.742 3.651 20 0 CHADMN C[C@H]1CC[C@@H](CO)CN1Cc1cc(Cl)cc(Cl)c1 ZINC000093738172 1125726255 /nfs/dbraw/zinc/72/62/55/1125726255.db2.gz BUTFXMJSENVMRW-WDEREUQCSA-N 0 1 288.218 3.586 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3c2cccc3F)nc1Cl ZINC000886928573 1125726400 /nfs/dbraw/zinc/72/64/00/1125726400.db2.gz DLPHNFGVUJMPFH-OAHLLOKOSA-N 0 1 290.769 3.960 20 0 CHADMN NC1(c2noc(C3(c4ccccc4)CCCC3)n2)CCCC1 ZINC000261692192 1125738979 /nfs/dbraw/zinc/73/89/79/1125738979.db2.gz HMRXXGPDYNNSCQ-UHFFFAOYSA-N 0 1 297.402 3.658 20 0 CHADMN CC[C@@H](CN[C@@H](C)c1nccs1)Oc1cccc(C)c1 ZINC000090218706 1125741417 /nfs/dbraw/zinc/74/14/17/1125741417.db2.gz WQWIFGKXQOEYNI-KBPBESRZSA-N 0 1 290.432 3.960 20 0 CHADMN C[C@@H](OC1CCCCCC1)c1nc(C2(N)CCCC2)no1 ZINC000261894302 1125746102 /nfs/dbraw/zinc/74/61/02/1125746102.db2.gz XTLOMJGRSZCIRZ-GFCCVEGCSA-N 0 1 293.411 3.598 20 0 CHADMN CC[C@@H](C)N[C@@H](c1ccccn1)c1ccccc1OC ZINC000090913052 1125746720 /nfs/dbraw/zinc/74/67/20/1125746720.db2.gz YHOTYQLAHBSXQG-CXAGYDPISA-N 0 1 270.376 3.568 20 0 CHADMN COc1ccccc1[C@H](N[C@H](C)C1CCC1)c1ccccn1 ZINC000090913523 1125747588 /nfs/dbraw/zinc/74/75/88/1125747588.db2.gz MHRRBAZEYLQPFY-KUHUBIRLSA-N 0 1 296.414 3.958 20 0 CHADMN CCOc1ccc(C2=CCN(Cc3ccccn3)CC2)cc1 ZINC000091800425 1125753714 /nfs/dbraw/zinc/75/37/14/1125753714.db2.gz VEKJNSABEHKSQJ-UHFFFAOYSA-N 0 1 294.398 3.770 20 0 CHADMN CCn1nc(C)c(CN(C)Cc2ccc(C)s2)c1C ZINC000093049318 1125762640 /nfs/dbraw/zinc/76/26/40/1125762640.db2.gz AJQKWLCUVDELGV-UHFFFAOYSA-N 0 1 277.437 3.522 20 0 CHADMN C[C@@H](NCCc1nc(C(C)(C)C)cs1)c1nccs1 ZINC000093405692 1125768349 /nfs/dbraw/zinc/76/83/49/1125768349.db2.gz ODCOZTQYGDVTMN-SNVBAGLBSA-N 0 1 295.477 3.790 20 0 CHADMN Cc1cccnc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000093159603 1125766649 /nfs/dbraw/zinc/76/66/49/1125766649.db2.gz OWWOMGXQGSRFRK-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1noc(C)c1CCN1CCc2cccc(F)c2[C@@H]1C ZINC000533762820 1125779876 /nfs/dbraw/zinc/77/98/76/1125779876.db2.gz ZENYYILETKFWJM-LBPRGKRZSA-N 0 1 288.366 3.592 20 0 CHADMN CCO[C@H]1C[C@H](N(C)Cc2cccc(O)c2Cl)C1(C)C ZINC000508711441 1125780023 /nfs/dbraw/zinc/78/00/23/1125780023.db2.gz ZAAQMCFXBCNUIY-KBPBESRZSA-N 0 1 297.826 3.681 20 0 CHADMN COc1ccncc1CN[C@H](C)c1cc(C)sc1C ZINC000287743597 1125785512 /nfs/dbraw/zinc/78/55/12/1125785512.db2.gz LFQOOTVFTVHYTC-LLVKDONJSA-N 0 1 276.405 3.619 20 0 CHADMN CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(C(F)F)nc2)C1(C)C ZINC000638159051 1129246520 /nfs/dbraw/zinc/24/65/20/1129246520.db2.gz NTNQZMSPYAMWDZ-CZUORRHYSA-N 0 1 298.377 3.655 20 0 CHADMN CO[C@@H]1CCN(Cc2ccc(F)cc2OC(C)C)[C@H](C)C1 ZINC001238698112 1131232833 /nfs/dbraw/zinc/23/28/33/1131232833.db2.gz DYUWQLHCPKFIHP-CZUORRHYSA-N 0 1 295.398 3.612 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CCC(CF)CC1 ZINC001238701746 1131233617 /nfs/dbraw/zinc/23/36/17/1131233617.db2.gz HLKAGZJCCQQKSW-UHFFFAOYSA-N 0 1 283.362 3.794 20 0 CHADMN COc1cc(CNCc2cccc(C)c2)c(Cl)cc1O ZINC000638324993 1129254368 /nfs/dbraw/zinc/25/43/68/1129254368.db2.gz XEFVWQCRIYRALZ-UHFFFAOYSA-N 0 1 291.778 3.652 20 0 CHADMN FC(F)(F)C1(CNCc2cc(C3CC3)no2)CCCC1 ZINC000639354438 1129305320 /nfs/dbraw/zinc/30/53/20/1129305320.db2.gz KFGOHYMPXPPZIN-UHFFFAOYSA-N 0 1 288.313 3.764 20 0 CHADMN CCC1(CC)CCC(NCc2ncc(C)o2)CC1 ZINC000651778332 1129747406 /nfs/dbraw/zinc/74/74/06/1129747406.db2.gz UGTQLFOWPCJTLR-UHFFFAOYSA-N 0 1 250.386 3.822 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@@H+](CC)C[C@@H](CC)c1ccccc1 ZINC000652437358 1129765150 /nfs/dbraw/zinc/76/51/50/1129765150.db2.gz KVQCYYJAJNJKHK-ZBFHGGJFSA-N 0 1 277.408 3.755 20 0 CHADMN Clc1cnc(CNCCCCOc2ccccc2)s1 ZINC000769909338 1129929804 /nfs/dbraw/zinc/92/98/04/1129929804.db2.gz NWVAFMFMXMDLQC-UHFFFAOYSA-N 0 1 296.823 3.745 20 0 CHADMN CC(C)(C)SCCN1CCc2cccc(F)c2C1 ZINC000801940232 1129962236 /nfs/dbraw/zinc/96/22/36/1129962236.db2.gz KZWKJJVWQOWCEI-UHFFFAOYSA-N 0 1 267.413 3.716 20 0 CHADMN CCCC1CCC(C[N@@H+](CC(=O)[O-])C2CCCC2)CC1 ZINC000902038550 1129972999 /nfs/dbraw/zinc/97/29/99/1129972999.db2.gz IVICDBPWRCUFNL-UHFFFAOYSA-N 0 1 281.440 3.922 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](C)c2ccc(Cl)nc2)s1 ZINC000788984367 1130222463 /nfs/dbraw/zinc/22/24/63/1130222463.db2.gz RKUJRCOCOQRQCY-IUCAKERBSA-N 0 1 281.812 3.912 20 0 CHADMN FC(F)(F)Oc1ccc2c(c1)nccc2N1CCCC1 ZINC000899875588 1126706766 /nfs/dbraw/zinc/70/67/66/1126706766.db2.gz FEAMLGDKVHZMOD-UHFFFAOYSA-N 0 1 282.265 3.734 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccc1N(C)C)c1ccncc1F ZINC000338006377 1126708630 /nfs/dbraw/zinc/70/86/30/1126708630.db2.gz FWKIEUIMHHYJAA-CHWSQXEVSA-N 0 1 287.382 3.699 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C3(C(C)C)CCC3)ccc12 ZINC001142652589 1126709812 /nfs/dbraw/zinc/70/98/12/1126709812.db2.gz QOOHBXRWHANQTR-UHFFFAOYSA-N 0 1 271.364 3.636 20 0 CHADMN CC[C@@H](CN(CC)CC(=O)c1cccn1C)c1ccccc1 ZINC000481733760 1126711034 /nfs/dbraw/zinc/71/10/34/1126711034.db2.gz IXDUCFDNDLAYKC-INIZCTEOSA-N 0 1 298.430 3.724 20 0 CHADMN COc1cc2c(cc1F)CC[C@@H]2N[C@@H](C)c1ccco1 ZINC000338023577 1126712826 /nfs/dbraw/zinc/71/28/26/1126712826.db2.gz SSPCDWFXFSBHKU-HZMBPMFUSA-N 0 1 275.323 3.765 20 0 CHADMN CSC[C@@H]1CCCN1Cc1coc(-c2ccccc2)n1 ZINC000135479560 1126718944 /nfs/dbraw/zinc/71/89/44/1126718944.db2.gz PKLFZGUWASAIFN-HNNXBMFYSA-N 0 1 288.416 3.669 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1C[C@H](C)OC2(CCC2)C1 ZINC000567810758 1126719165 /nfs/dbraw/zinc/71/91/65/1126719165.db2.gz FUJGTPNVYYIICI-STQMWFEESA-N 0 1 263.356 3.530 20 0 CHADMN OCC[C@H](NCc1cc(Cl)ccc1F)c1ccccc1 ZINC000338197620 1126723266 /nfs/dbraw/zinc/72/32/66/1126723266.db2.gz PIHWSEPMIOYRRF-INIZCTEOSA-N 0 1 293.769 3.692 20 0 CHADMN CO[C@@H](CN(C)Cc1ccco1)c1ccc(Cl)cc1 ZINC000338252113 1126727839 /nfs/dbraw/zinc/72/78/39/1126727839.db2.gz FSSHKWYAOMBDDD-HNNXBMFYSA-N 0 1 279.767 3.753 20 0 CHADMN CC[C@@H](NCc1ccc(OC)cn1)c1ccc(C)cc1 ZINC000338276253 1126729991 /nfs/dbraw/zinc/72/99/91/1126729991.db2.gz CDRRLVHQIZBHIV-QGZVFWFLSA-N 0 1 270.376 3.640 20 0 CHADMN COc1cccc(Cl)c1CN(C[C@H](C)OC)C(C)C ZINC000338311487 1126733573 /nfs/dbraw/zinc/73/35/73/1126733573.db2.gz DVWNSHBHLLMKHJ-LBPRGKRZSA-N 0 1 285.815 3.594 20 0 CHADMN Cc1nc(CN(C)[C@@H](C)C2CCCCC2)oc1C ZINC000338341903 1126734368 /nfs/dbraw/zinc/73/43/68/1126734368.db2.gz LKKUMOGDMDQHTH-LBPRGKRZSA-N 0 1 250.386 3.692 20 0 CHADMN Cc1nnc([C@@H]2CCCCN2CC[C@@H]2CCC[C@@H](C)C2)[nH]1 ZINC000338333875 1126734910 /nfs/dbraw/zinc/73/49/10/1126734910.db2.gz RLLFQVJJAUZCLU-KBMXLJTQSA-N 0 1 290.455 3.857 20 0 CHADMN CCO[C@H](C)c1noc(CN(C)[C@@H](C)C2CCCCC2)n1 ZINC000338361538 1126738075 /nfs/dbraw/zinc/73/80/75/1126738075.db2.gz UVQYJBXNPCHNAK-QWHCGFSZSA-N 0 1 295.427 3.568 20 0 CHADMN CCCCC[C@@H](OCCN1CCN(C)CC1)[C@H](C)CCC ZINC001224548588 1126744640 /nfs/dbraw/zinc/74/46/40/1126744640.db2.gz DDEMBTKVADAZPA-QZTJIDSGSA-N 0 1 298.515 3.636 20 0 CHADMN FC(F)[C@@H]1CCN(Cc2ccccc2Br)C1 ZINC000677731460 1130324946 /nfs/dbraw/zinc/32/49/46/1130324946.db2.gz RRHIGNNJKXOTBE-SNVBAGLBSA-N 0 1 290.151 3.536 20 0 CHADMN COc1c(O)cccc1CNCc1cccc(C(C)C)c1 ZINC000482290048 1126748934 /nfs/dbraw/zinc/74/89/34/1126748934.db2.gz FCJVQDKPSKPVAP-UHFFFAOYSA-N 0 1 285.387 3.814 20 0 CHADMN COc1ncccc1CN[C@@H](C)c1cccc(C)c1C ZINC000151141291 1126750183 /nfs/dbraw/zinc/75/01/83/1126750183.db2.gz CBINYGABIWEESJ-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CC[C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2csc(C)n2)CCO1 ZINC000482301789 1126750584 /nfs/dbraw/zinc/75/05/84/1126750584.db2.gz WVQDMVPWSTXHBC-OFQRWUPVSA-N 0 1 294.464 3.794 20 0 CHADMN O=C([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001142660032 1126753538 /nfs/dbraw/zinc/75/35/38/1126753538.db2.gz BLFANZRQANAVOI-IAQYHMDHSA-N 0 1 293.794 3.803 20 0 CHADMN Cc1ccccc1-n1nccc1CN1CCC(C)=C(C)C1 ZINC000482455553 1126757510 /nfs/dbraw/zinc/75/75/10/1126757510.db2.gz GMMPDDUNPSKORA-UHFFFAOYSA-N 0 1 281.403 3.723 20 0 CHADMN Cc1noc([C@H](C)N[C@H](C)Cc2ccc3c(c2)CCCC3)n1 ZINC000668050145 1126757565 /nfs/dbraw/zinc/75/75/65/1126757565.db2.gz HJSCERDPXDUFGS-OLZOCXBDSA-N 0 1 299.418 3.539 20 0 CHADMN C[C@H]1CCN(Cc2cccc(OC3CC3)c2F)CCS1 ZINC000668061601 1126763201 /nfs/dbraw/zinc/76/32/01/1126763201.db2.gz LPGUKJFUTDEZNU-LBPRGKRZSA-N 0 1 295.423 3.694 20 0 CHADMN Cc1ncsc1CNC1(c2cccc(Cl)c2)CC1 ZINC000174424451 1126770106 /nfs/dbraw/zinc/77/01/06/1126770106.db2.gz GZPGCFNMHZZHBV-UHFFFAOYSA-N 0 1 278.808 3.884 20 0 CHADMN C[C@@H](NC[C@@H]1CCCCO1)c1ncc(-c2ccccc2)o1 ZINC000174003017 1126765328 /nfs/dbraw/zinc/76/53/28/1126765328.db2.gz FGFKEGAOFFKSGG-HIFRSBDPSA-N 0 1 286.375 3.561 20 0 CHADMN CCc1oc(C[N@H+]2CCC[C@@H](C3CCC3)C2)cc1C(=O)[O-] ZINC000902460591 1126766315 /nfs/dbraw/zinc/76/63/15/1126766315.db2.gz ZZIVLWDDOLXENH-CYBMUJFWSA-N 0 1 291.391 3.552 20 0 CHADMN CCCCCc1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)n[nH]1 ZINC000668219880 1126773510 /nfs/dbraw/zinc/77/35/10/1126773510.db2.gz XIXYQAXWTNSNOI-STQMWFEESA-N 0 1 277.412 3.546 20 0 CHADMN CC(C)(C)C[C@@H]1CCCN1Cn1ccc(C(F)(F)F)n1 ZINC000747075494 1130449791 /nfs/dbraw/zinc/44/97/91/1130449791.db2.gz ANMAVBSVGHPEIR-NSHDSACASA-N 0 1 289.345 3.760 20 0 CHADMN CCN(C)c1ccc(CN2CC=C(C(C)(C)C)CC2)cn1 ZINC000483251527 1126774810 /nfs/dbraw/zinc/77/48/10/1126774810.db2.gz RVZZTRPBPXUGGT-UHFFFAOYSA-N 0 1 287.451 3.716 20 0 CHADMN CC(C)CO[C@H](C)c1noc(CNC(C(C)C)C(C)C)n1 ZINC000678900750 1130469495 /nfs/dbraw/zinc/46/94/95/1130469495.db2.gz XNBKMEHFCAXDDY-CYBMUJFWSA-N 0 1 297.443 3.573 20 0 CHADMN CC(C)[C@@H]1[N@@H+](Cc2c(C3CC3)cnn2C)CC12CCCC2 ZINC000668228452 1126776770 /nfs/dbraw/zinc/77/67/70/1126776770.db2.gz JFMWNFJLHZVESK-KRWDZBQOSA-N 0 1 287.451 3.698 20 0 CHADMN CC(C)CC[C@@H]1CCCCN1Cc1cn(C(C)(C)C)nn1 ZINC000483293250 1126777657 /nfs/dbraw/zinc/77/76/57/1126777657.db2.gz FZOFXOXSNYNJTC-INIZCTEOSA-N 0 1 292.471 3.824 20 0 CHADMN CC1=C(C)CN([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000483339986 1126783406 /nfs/dbraw/zinc/78/34/06/1126783406.db2.gz JRDBPCYSFUGURR-ZDUSSCGKSA-N 0 1 256.349 3.931 20 0 CHADMN Cc1ccncc1CN[C@@H](C)c1cnc2ccsc2c1 ZINC000162644240 1126784476 /nfs/dbraw/zinc/78/44/76/1126784476.db2.gz PPQBCKLSEJQLMR-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccccc1 ZINC000175410594 1126781899 /nfs/dbraw/zinc/78/18/99/1126781899.db2.gz QBTPWACJJQPWBJ-VLIAUNLRSA-N 0 1 287.428 3.617 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1ccon1 ZINC000175429646 1126782352 /nfs/dbraw/zinc/78/23/52/1126782352.db2.gz UTGWNFYJTQAKFU-NEPJUHHUSA-N 0 1 278.783 3.952 20 0 CHADMN CCC[C@@H](CCc1ccccc1)N[C@H](C)c1nc(C)no1 ZINC000483360030 1126782615 /nfs/dbraw/zinc/78/26/15/1126782615.db2.gz VHRQCCRVGXVZPS-CJNGLKHVSA-N 0 1 287.407 3.830 20 0 CHADMN CC1=C(C)CN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000483384017 1126783112 /nfs/dbraw/zinc/78/31/12/1126783112.db2.gz UIYZFOYVSYQMNU-UHFFFAOYSA-N 0 1 268.360 3.884 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCc3nccs3)n2)cc1 ZINC000162706542 1126787045 /nfs/dbraw/zinc/78/70/45/1126787045.db2.gz IWPUMSFYQHNJTO-UHFFFAOYSA-N 0 1 288.401 3.529 20 0 CHADMN COc1cccc([C@@H]2CN(CCC3CCCC3)CCO2)c1 ZINC000483533617 1126792176 /nfs/dbraw/zinc/79/21/76/1126792176.db2.gz RYYYNPHHSIVKLN-SFHVURJKSA-N 0 1 289.419 3.649 20 0 CHADMN C[C@@H](c1ccccn1)N(C)CCOc1ccccc1Cl ZINC000176992935 1126796624 /nfs/dbraw/zinc/79/66/24/1126796624.db2.gz QTYCTCCMVNYEGV-ZDUSSCGKSA-N 0 1 290.794 3.807 20 0 CHADMN CCCC[C@H](COC)N[C@@H](C)c1c(F)cccc1OC ZINC000483730076 1126798568 /nfs/dbraw/zinc/79/85/68/1126798568.db2.gz PONUDMOWBKUIBO-QWHCGFSZSA-N 0 1 283.387 3.690 20 0 CHADMN C[C@@H](N(C)Cc1cc(-c2ccco2)on1)C1(C)CC1 ZINC000177215219 1126798860 /nfs/dbraw/zinc/79/88/60/1126798860.db2.gz NZXAKXDVYCEHST-LLVKDONJSA-N 0 1 260.337 3.555 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1cscn1 ZINC000177543225 1126802718 /nfs/dbraw/zinc/80/27/18/1126802718.db2.gz WOQOTCRAZCCEQC-IUODEOHRSA-N 0 1 258.390 3.521 20 0 CHADMN c1c2ccccc2oc1[C@H](N[C@H]1CCOC1)c1ccccc1 ZINC000177860042 1126806200 /nfs/dbraw/zinc/80/62/00/1126806200.db2.gz YQCPSKQHQMLFFX-QFBILLFUSA-N 0 1 293.366 3.901 20 0 CHADMN Cc1noc(C)c1CCN(C)[C@H](C)c1cc(F)ccc1F ZINC000164875613 1129210876 /nfs/dbraw/zinc/21/08/76/1129210876.db2.gz BEMZGRKFAQKSAN-LLVKDONJSA-N 0 1 294.345 3.805 20 0 CHADMN COc1ccc(Cl)c(CN2CC[C@@H](OCC(C)C)C2)c1 ZINC000483950961 1126806419 /nfs/dbraw/zinc/80/64/19/1126806419.db2.gz TWNCVOWLNQRJME-OAHLLOKOSA-N 0 1 297.826 3.596 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@@H](C)c1ccc(C)o1 ZINC000178301474 1126811364 /nfs/dbraw/zinc/81/13/64/1126811364.db2.gz WNQCRWMIEXPUJL-SWLSCSKDSA-N 0 1 271.360 3.935 20 0 CHADMN C[C@@H](N[C@@H](C)C1CCC1)c1noc(-c2ccccc2)n1 ZINC000178485209 1126814133 /nfs/dbraw/zinc/81/41/33/1126814133.db2.gz ZCQDVUUFEHHBBM-NWDGAFQWSA-N 0 1 271.364 3.576 20 0 CHADMN Cc1ccc2nc(SC[C@H]3CCC(C)(C)O3)[nH]c2c1 ZINC000484481069 1126821345 /nfs/dbraw/zinc/82/13/45/1126821345.db2.gz CCDJLCUFTOTAGQ-LLVKDONJSA-N 0 1 276.405 3.921 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cn3cc(C)ccc3n2)cc1 ZINC000178726810 1126819039 /nfs/dbraw/zinc/81/90/39/1126819039.db2.gz DJYHBMVLMPCPRT-OAHLLOKOSA-N 0 1 279.387 3.802 20 0 CHADMN CC[C@H](N[C@@H](C)c1cn(C)nc1C)c1ccc(F)cc1F ZINC000178719698 1126819523 /nfs/dbraw/zinc/81/95/23/1126819523.db2.gz LQJVKDQDCGVEPZ-QFYYESIMSA-N 0 1 293.361 3.809 20 0 CHADMN COCc1cccc(CN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000179185266 1126825418 /nfs/dbraw/zinc/82/54/18/1126825418.db2.gz UDPAEDLPFSFICD-CQSZACIVSA-N 0 1 287.325 3.607 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(Cc2cc(C)ccc2C)no1 ZINC000904085785 1126827354 /nfs/dbraw/zinc/82/73/54/1126827354.db2.gz TUMRQMGXTPMDDA-HNNXBMFYSA-N 0 1 287.407 3.584 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(-c2cccc(Cl)c2)no1 ZINC000904080957 1126827826 /nfs/dbraw/zinc/82/78/26/1126827826.db2.gz ASFSBPLNNNVRJA-LBPRGKRZSA-N 0 1 279.771 3.697 20 0 CHADMN CC(C)C(=O)Nc1ccc(CN[C@H](C)c2ccccn2)cc1 ZINC000179460934 1126828957 /nfs/dbraw/zinc/82/89/57/1126828957.db2.gz KQMYKUUODHMLKC-CQSZACIVSA-N 0 1 297.402 3.527 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(-c2cccc3ncccc32)no1 ZINC000904117440 1126830081 /nfs/dbraw/zinc/83/00/81/1126830081.db2.gz YZUWQUHPRHTBQF-HNNXBMFYSA-N 0 1 296.374 3.591 20 0 CHADMN Clc1nccc(CNCCOc2ccccc2)c1Cl ZINC000811471795 1130614229 /nfs/dbraw/zinc/61/42/29/1130614229.db2.gz KNFSOYNVNWGVOU-UHFFFAOYSA-N 0 1 297.185 3.557 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccccn2)c(C)s1 ZINC000179650884 1126831998 /nfs/dbraw/zinc/83/19/98/1126831998.db2.gz UMIHOLYSBAFLEL-GFCCVEGCSA-N 0 1 260.406 3.953 20 0 CHADMN CC[C@@H](SC)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179827543 1126835274 /nfs/dbraw/zinc/83/52/74/1126835274.db2.gz VNSBCDOEIARDPZ-SNVBAGLBSA-N 0 1 299.346 3.581 20 0 CHADMN Clc1ccc2c(c1)OCCC[C@H]2NCc1ccncc1 ZINC000180969646 1126850658 /nfs/dbraw/zinc/85/06/58/1126850658.db2.gz RLNXXOSLKQJNCO-OAHLLOKOSA-N 0 1 288.778 3.739 20 0 CHADMN CC(C)N1CCC[C@@H]1c1nc(-c2cc(F)cc(F)c2)no1 ZINC000923815976 1126850902 /nfs/dbraw/zinc/85/09/02/1126850902.db2.gz XRWLJFLQHUTERY-CYBMUJFWSA-N 0 1 293.317 3.560 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000904399799 1126851905 /nfs/dbraw/zinc/85/19/05/1126851905.db2.gz BUODLDQDSUNFMZ-PBHICJAKSA-N 0 1 281.440 3.780 20 0 CHADMN C[C@H](c1ccccc1)[C@H](C)NCc1nnc(-c2ccco2)o1 ZINC000181523682 1126856886 /nfs/dbraw/zinc/85/68/86/1126856886.db2.gz HBGYZFLSXANCKH-STQMWFEESA-N 0 1 297.358 3.611 20 0 CHADMN CC[C@H](NCc1cncc(C)c1)c1cc(F)ccc1F ZINC000181833000 1126861943 /nfs/dbraw/zinc/86/19/43/1126861943.db2.gz GQNDSDPCKIIIDX-INIZCTEOSA-N 0 1 276.330 3.909 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc(C2CC2)no1)C(C)(C)c1ccccc1 ZINC000181774712 1126860631 /nfs/dbraw/zinc/86/06/31/1126860631.db2.gz WZCTYXKVWGCDPE-QWHCGFSZSA-N 0 1 299.418 3.964 20 0 CHADMN Clc1ccc([C@@H]2OCC[C@H]2NCc2ccco2)cc1 ZINC000182112860 1126866071 /nfs/dbraw/zinc/86/60/71/1126866071.db2.gz CFPAGVBPCIIGDH-CABCVRRESA-N 0 1 277.751 3.553 20 0 CHADMN CCC(CC)NC(=O)[C@@H](C)N(CC)Cc1ccccc1C ZINC000485013990 1126872974 /nfs/dbraw/zinc/87/29/74/1126872974.db2.gz NVCOSVQKYFTOKG-OAHLLOKOSA-N 0 1 290.451 3.510 20 0 CHADMN Cc1[nH]nc2ccc(-c3cnc(C(C)(C)C)o3)cc12 ZINC000904832173 1126877677 /nfs/dbraw/zinc/87/76/77/1126877677.db2.gz AEOBKBNKAYUSNT-UHFFFAOYSA-N 0 1 255.321 3.824 20 0 CHADMN C[C@H](CCc1cccc(F)c1)N(C)Cc1nccs1 ZINC000183346742 1126885634 /nfs/dbraw/zinc/88/56/34/1126885634.db2.gz XVFIIZLYKPMIQD-GFCCVEGCSA-N 0 1 278.396 3.735 20 0 CHADMN Clc1cscc1-c1cccc([C@H]2COCCN2)c1 ZINC000904894492 1126883212 /nfs/dbraw/zinc/88/32/12/1126883212.db2.gz ITIRHQKRRZUIIZ-CQSZACIVSA-N 0 1 279.792 3.729 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccncc2)ccc1F ZINC000183707046 1126890280 /nfs/dbraw/zinc/89/02/80/1126890280.db2.gz CEUSRAGHWPEXMF-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN CCCC[C@H](CC)C[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905368819 1126898669 /nfs/dbraw/zinc/89/86/69/1126898669.db2.gz CFCCYABAWBAYOF-GOEBONIOSA-N 0 1 277.408 3.961 20 0 CHADMN CCC(CC)CNCc1ncc(-c2ccccc2)cn1 ZINC000185874467 1126904030 /nfs/dbraw/zinc/90/40/30/1126904030.db2.gz WIEVORDTHQIRED-UHFFFAOYSA-N 0 1 269.392 3.669 20 0 CHADMN Cc1cccn2c(CN3CCC(c4ccco4)CC3)cnc12 ZINC000668461940 1126904772 /nfs/dbraw/zinc/90/47/72/1126904772.db2.gz ILQJWQONETWNJP-UHFFFAOYSA-N 0 1 295.386 3.615 20 0 CHADMN CC(C)CCCN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187725639 1126913548 /nfs/dbraw/zinc/91/35/48/1126913548.db2.gz SYNVQPCAKHSWJI-OAHLLOKOSA-N 0 1 275.371 3.664 20 0 CHADMN CCc1ccc(C)nc1N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000668478575 1126911140 /nfs/dbraw/zinc/91/11/40/1126911140.db2.gz ORSHICZNGDUTDF-CABCVRRESA-N 0 1 262.397 3.568 20 0 CHADMN CCc1ccc(C)nc1N[C@H](C)Cc1ccn(C(C)C)n1 ZINC000668478325 1126911359 /nfs/dbraw/zinc/91/13/59/1126911359.db2.gz NFCOUDKBKAJXIM-CQSZACIVSA-N 0 1 286.423 3.773 20 0 CHADMN CCCC1CCC([N@@H+](C)Cc2ccc(C(=O)[O-])cn2)CC1 ZINC000905727682 1126913305 /nfs/dbraw/zinc/91/33/05/1126913305.db2.gz PVKBGMNXSALWRT-UHFFFAOYSA-N 0 1 290.407 3.571 20 0 CHADMN CCN(Cc1nc(C)c(C)o1)[C@H](C)Cc1ccsc1 ZINC000187785263 1126914791 /nfs/dbraw/zinc/91/47/91/1126914791.db2.gz KHGRAEUPIKJDDH-LLVKDONJSA-N 0 1 278.421 3.806 20 0 CHADMN O[C@H](CN1CC[C@H]1C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000905954905 1126923668 /nfs/dbraw/zinc/92/36/68/1126923668.db2.gz DEUBTVYAPRFVKG-UONOGXRCSA-N 0 1 286.202 3.511 20 0 CHADMN Cc1ccnc(N[C@H](C)CC2CCOCC2)c1C1CC1 ZINC000668512640 1126924492 /nfs/dbraw/zinc/92/44/92/1126924492.db2.gz UGOFVBNNDAEWQW-CYBMUJFWSA-N 0 1 274.408 3.885 20 0 CHADMN CO[C@H]1C[C@H]2C[C@@H](Nc3nccc(C)c3C3CC3)C[C@H]2C1 ZINC000668513029 1126924595 /nfs/dbraw/zinc/92/45/95/1126924595.db2.gz VTBRDMVPCSGSFF-GEEKYZPCSA-N 0 1 286.419 3.883 20 0 CHADMN Cc1ccnc(N[C@@H](C)c2ccccn2)c1C1CC1 ZINC000668513936 1126925719 /nfs/dbraw/zinc/92/57/19/1126925719.db2.gz ZRVLBHYQAIEZRN-LBPRGKRZSA-N 0 1 253.349 3.836 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC([C@@H]2CCCO2)CC1 ZINC000189191119 1126929184 /nfs/dbraw/zinc/92/91/84/1126929184.db2.gz SGJQOTVVIWXMSS-WBMJQRKESA-N 0 1 295.373 3.917 20 0 CHADMN Cc1cnc(CN(C)CC2(c3ccccc3)CC2)s1 ZINC000189313144 1126930629 /nfs/dbraw/zinc/93/06/29/1126930629.db2.gz PTZARDYFSXAJTC-UHFFFAOYSA-N 0 1 272.417 3.615 20 0 CHADMN c1ccc2ncc(-c3cnc([C@H]4CCCCN4)nc3)cc2c1 ZINC000906153840 1126930995 /nfs/dbraw/zinc/93/09/95/1126930995.db2.gz WANGRFTWNDKVDJ-QGZVFWFLSA-N 0 1 290.370 3.506 20 0 CHADMN C[C@@H](NCC[C@@H]1CCCO1)c1ncc(-c2ccccc2)o1 ZINC000189964374 1126936693 /nfs/dbraw/zinc/93/66/93/1126936693.db2.gz HVPHWKIUCDXKDB-HIFRSBDPSA-N 0 1 286.375 3.561 20 0 CHADMN Cc1nc2c(s1)[C@H](N(C)Cc1cncc(C)c1)CCC2 ZINC000189953213 1126937133 /nfs/dbraw/zinc/93/71/33/1126937133.db2.gz HQXFBGNERBOCJS-OAHLLOKOSA-N 0 1 287.432 3.664 20 0 CHADMN CC[C@H](C)Oc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1 ZINC000190189210 1126940040 /nfs/dbraw/zinc/94/00/40/1126940040.db2.gz DXJHPMUDTFDQMQ-NSHDSACASA-N 0 1 299.374 3.717 20 0 CHADMN Cc1c([C@@H](C)NCc2ccccc2F)cnn1C(C)C ZINC000191114828 1126948392 /nfs/dbraw/zinc/94/83/92/1126948392.db2.gz IWZKDOGUJKJHNB-GFCCVEGCSA-N 0 1 275.371 3.762 20 0 CHADMN CC(C)(Cc1ccc(C(F)(F)F)cc1)NCc1ccon1 ZINC000190690756 1126943869 /nfs/dbraw/zinc/94/38/69/1126943869.db2.gz LPCRONWAWOITEN-UHFFFAOYSA-N 0 1 298.308 3.804 20 0 CHADMN COc1nccc(CN(C)C2CCCCC2)c1Cl ZINC001235829940 1130785823 /nfs/dbraw/zinc/78/58/23/1130785823.db2.gz JARVNTAUNWXDSS-UHFFFAOYSA-N 0 1 268.788 3.508 20 0 CHADMN CN(Cc1ccc(OCC2CC2)cc1)Cc1cccnc1 ZINC000191460203 1126951913 /nfs/dbraw/zinc/95/19/13/1126951913.db2.gz FULYVYQZHRQERY-UHFFFAOYSA-N 0 1 282.387 3.502 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cnc(Cl)s1 ZINC000783013887 1130794117 /nfs/dbraw/zinc/79/41/17/1130794117.db2.gz RICJMVZKLGIBTO-VIFPVBQESA-N 0 1 281.812 3.605 20 0 CHADMN Oc1cccc2c1CCC[C@H]2NCc1ccc(F)c(F)c1 ZINC000191657296 1126953775 /nfs/dbraw/zinc/95/37/75/1126953775.db2.gz HYBAYOXBIGTFTQ-MRXNPFEDSA-N 0 1 289.325 3.838 20 0 CHADMN c1nc(CN2CCCCC[C@H]2c2ccccc2)co1 ZINC000191935072 1126956786 /nfs/dbraw/zinc/95/67/86/1126956786.db2.gz QTCHVYCEMNSFKU-INIZCTEOSA-N 0 1 256.349 3.792 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2cocn2)c1C ZINC000191945448 1126956993 /nfs/dbraw/zinc/95/69/93/1126956993.db2.gz XHQNKRXFKHBLIV-MRXNPFEDSA-N 0 1 256.349 3.629 20 0 CHADMN CC(C)c1ncc(CN(C)[C@@H]2C[C@@H]2c2cccc(F)c2)cn1 ZINC000906586657 1126959694 /nfs/dbraw/zinc/95/96/94/1126959694.db2.gz HVZLCJMEQVYXOE-IAGOWNOFSA-N 0 1 299.393 3.727 20 0 CHADMN CCN(c1ccc(NCc2cocn2)cc1)C(C)C ZINC000192290353 1126960150 /nfs/dbraw/zinc/96/01/50/1126960150.db2.gz NTKFHFRBZCESST-UHFFFAOYSA-N 0 1 259.353 3.521 20 0 CHADMN Fc1ccccc1CN[C@@H]1CCCNc2ccccc21 ZINC000192597863 1126962599 /nfs/dbraw/zinc/96/25/99/1126962599.db2.gz KMNVRMCZRCPAKZ-QGZVFWFLSA-N 0 1 270.351 3.862 20 0 CHADMN CCC[C@H](N[C@H](C)c1ccnn1C)c1ccc(F)cc1F ZINC000192955530 1126964733 /nfs/dbraw/zinc/96/47/33/1126964733.db2.gz GJTXEVFRGGQUCC-ABAIWWIYSA-N 0 1 293.361 3.890 20 0 CHADMN COC[C@H](NCc1ccccc1)c1ccc(Cl)cc1 ZINC000193280882 1126968001 /nfs/dbraw/zinc/96/80/01/1126968001.db2.gz MBQKUZHNOQQOFN-INIZCTEOSA-N 0 1 275.779 3.817 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1nc2c(cccc2F)o1 ZINC000486037758 1126968443 /nfs/dbraw/zinc/96/84/43/1126968443.db2.gz SOUCWFZPJDBOTN-UHFFFAOYSA-N 0 1 282.278 3.895 20 0 CHADMN C=Cn1cc(CN(Cc2ccc(C)s2)C(C)C)cn1 ZINC000193800024 1126970916 /nfs/dbraw/zinc/97/09/16/1126970916.db2.gz VFXMLJADDWFNFP-UHFFFAOYSA-N 0 1 275.421 3.764 20 0 CHADMN FCC[C@@H]1CCCN(Cc2cnc3ccc(Cl)cn23)C1 ZINC000668591906 1126972474 /nfs/dbraw/zinc/97/24/74/1126972474.db2.gz DIHVORRWGANEBC-LBPRGKRZSA-N 0 1 295.789 3.559 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@H](CCF)C2)s1 ZINC000668593183 1126973438 /nfs/dbraw/zinc/97/34/38/1126973438.db2.gz XVLUICMQHRTBKQ-GFCCVEGCSA-N 0 1 270.417 3.838 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2sccc2Cl)C1 ZINC000194399499 1126973938 /nfs/dbraw/zinc/97/39/38/1126973938.db2.gz JDHXHQLTOQQWDI-LLVKDONJSA-N 0 1 273.829 3.650 20 0 CHADMN C[C@H]1CCN(Cc2sccc2Cl)C[C@@H]1n1ccnc1 ZINC000194433484 1126975125 /nfs/dbraw/zinc/97/51/25/1126975125.db2.gz GZUPTPGVTPRTRU-AAEUAGOBSA-N 0 1 295.839 3.681 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(O)c1 ZINC000194873171 1126977104 /nfs/dbraw/zinc/97/71/04/1126977104.db2.gz YVXUXJWGWLPXSD-CCKFTAQKSA-N 0 1 297.398 3.963 20 0 CHADMN CCN(c1ccc(N[C@H]2CCOC[C@@H]2C)cc1)C(C)C ZINC000195049821 1126977351 /nfs/dbraw/zinc/97/73/51/1126977351.db2.gz VATWBEBIYSKRGR-YOEHRIQHSA-N 0 1 276.424 3.758 20 0 CHADMN CSC(C)(C)C[C@H](C)N1CCC(F)(F)[C@H](F)C1 ZINC001258335777 1129213124 /nfs/dbraw/zinc/21/31/24/1129213124.db2.gz PFVYBCAKQZWMLZ-VHSXEESVSA-N 0 1 269.376 3.586 20 0 CHADMN CCC(CC)(CC)CN[C@@H](c1ncc[nH]1)c1cccnc1 ZINC000195076341 1126978567 /nfs/dbraw/zinc/97/85/67/1126978567.db2.gz LHRYVEZYJKGWKC-OAHLLOKOSA-N 0 1 286.423 3.700 20 0 CHADMN Cc1ccc(CC2CN(Cc3n[nH]c4ccccc43)C2)cc1 ZINC000668607767 1126980156 /nfs/dbraw/zinc/98/01/56/1126980156.db2.gz BHJKLQCKOVBADB-UHFFFAOYSA-N 0 1 291.398 3.546 20 0 CHADMN Cc1noc(CN(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000267005331 1126991952 /nfs/dbraw/zinc/99/19/52/1126991952.db2.gz FQCJEXWEWXVAMD-MNOVXSKESA-N 0 1 293.798 3.655 20 0 CHADMN COc1cccc(CNCc2ccc(Cl)cc2)c1F ZINC000165796184 1126993028 /nfs/dbraw/zinc/99/30/28/1126993028.db2.gz LCUNWPOODWRGAZ-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN Fc1ccc2cc(CN[C@@H]3COc4ccccc43)[nH]c2c1 ZINC000486701944 1126996548 /nfs/dbraw/zinc/99/65/48/1126996548.db2.gz UWUMGGGKUAKOIG-MRXNPFEDSA-N 0 1 282.318 3.530 20 0 CHADMN Fc1ccc2cc(CN[C@H]3COc4ccccc43)[nH]c2c1 ZINC000486701942 1126996581 /nfs/dbraw/zinc/99/65/81/1126996581.db2.gz UWUMGGGKUAKOIG-INIZCTEOSA-N 0 1 282.318 3.530 20 0 CHADMN CCCCC[C@H]1CCC[N@H+]1Cc1nc(-c2ccco2)no1 ZINC000486780649 1127001409 /nfs/dbraw/zinc/00/14/09/1127001409.db2.gz PUACTSJNWBUZPK-ZDUSSCGKSA-N 0 1 289.379 3.874 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1nc(-c2ccco2)no1 ZINC000486780649 1127001412 /nfs/dbraw/zinc/00/14/12/1127001412.db2.gz PUACTSJNWBUZPK-ZDUSSCGKSA-N 0 1 289.379 3.874 20 0 CHADMN Cc1cc(CN2CC[C@@](C)(CCc3ccccc3)C2)nn1C ZINC000486811636 1127003574 /nfs/dbraw/zinc/00/35/74/1127003574.db2.gz WJSULNDDFKBDIN-LJQANCHMSA-N 0 1 297.446 3.573 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1nc(CCC)no1 ZINC000486810440 1127003757 /nfs/dbraw/zinc/00/37/57/1127003757.db2.gz RILFSKNIZHQLCA-CYBMUJFWSA-N 0 1 265.401 3.567 20 0 CHADMN CCCc1noc(CN2CCC[C@H]2CCC2CCCC2)n1 ZINC000486813768 1127004598 /nfs/dbraw/zinc/00/45/98/1127004598.db2.gz WKEUMAUSQBQKOD-HNNXBMFYSA-N 0 1 291.439 3.957 20 0 CHADMN C[C@H](NC/C=C\c1ccncc1)c1ccc(F)cc1F ZINC000486980869 1127014132 /nfs/dbraw/zinc/01/41/32/1127014132.db2.gz LNNRTCMYPMRJFD-DLGQBQFBSA-N 0 1 274.314 3.724 20 0 CHADMN CCc1cnc(C[N@H+]2CCC[C@H](C3CCC3)C2)s1 ZINC000668719095 1127015060 /nfs/dbraw/zinc/01/50/60/1127015060.db2.gz UAYFEOVYOFGRDX-ZDUSSCGKSA-N 0 1 264.438 3.718 20 0 CHADMN CCc1cnc(CN2CCC[C@H](C3CCC3)C2)s1 ZINC000668719095 1127015065 /nfs/dbraw/zinc/01/50/65/1127015065.db2.gz UAYFEOVYOFGRDX-ZDUSSCGKSA-N 0 1 264.438 3.718 20 0 CHADMN Cc1ccnc(NCCc2nc(C(F)(F)F)cs2)c1 ZINC000268313170 1127015806 /nfs/dbraw/zinc/01/58/06/1127015806.db2.gz KURUYHKKJILFFL-UHFFFAOYSA-N 0 1 287.310 3.520 20 0 CHADMN CC(C)[C@H](C)Sc1nc(Cc2ccccc2)n[nH]1 ZINC000487113828 1127018777 /nfs/dbraw/zinc/01/87/77/1127018777.db2.gz JMHZLKANJRULIP-NSHDSACASA-N 0 1 261.394 3.532 20 0 CHADMN COCc1ccc(CN[C@H]2CCc3c2cccc3Cl)o1 ZINC000268787433 1127023800 /nfs/dbraw/zinc/02/38/00/1127023800.db2.gz KUJFZMIWILSASK-INIZCTEOSA-N 0 1 291.778 3.857 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2N[C@H](C)c1ccccn1 ZINC000268718493 1127022082 /nfs/dbraw/zinc/02/20/82/1127022082.db2.gz NOUDQUNHYBSJMB-CXAGYDPISA-N 0 1 252.361 3.728 20 0 CHADMN CC(C)Cc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000268810973 1127025519 /nfs/dbraw/zinc/02/55/19/1127025519.db2.gz DTVNOMFMRYMXNR-KRWDZBQOSA-N 0 1 283.419 3.775 20 0 CHADMN COc1cccc([C@@H](C)N[C@@H](C)c2cnc(C)nc2C)c1 ZINC000268826332 1127025816 /nfs/dbraw/zinc/02/58/16/1127025816.db2.gz ZDXNBVLGERKAOO-NEPJUHHUSA-N 0 1 285.391 3.514 20 0 CHADMN Cn1ncc2c1CCC[C@H]2N[C@H]1CC(C)(C)Cc2occc21 ZINC000268831036 1127025869 /nfs/dbraw/zinc/02/58/69/1127025869.db2.gz QYKATVGONKGFMS-CABCVRRESA-N 0 1 299.418 3.694 20 0 CHADMN Cc1ccc2nc(CN[C@@H]3CCc4cc(F)ccc43)cn2c1 ZINC000268862638 1127026627 /nfs/dbraw/zinc/02/66/27/1127026627.db2.gz JXFKKMNWFKGQEQ-QGZVFWFLSA-N 0 1 295.361 3.559 20 0 CHADMN Cc1ccc2nc(CN[C@@H]3CCCc4sccc43)cn2c1 ZINC000268858281 1127026695 /nfs/dbraw/zinc/02/66/95/1127026695.db2.gz IWMKDXXSWHGICS-OAHLLOKOSA-N 0 1 297.427 3.871 20 0 CHADMN C(=C/c1ccncc1)\CNC1(c2nccs2)CCCC1 ZINC000487276471 1127028072 /nfs/dbraw/zinc/02/80/72/1127028072.db2.gz KXPRQYIOWUNVHQ-ONEGZZNKSA-N 0 1 285.416 3.610 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(F)cn2)c(C)c1 ZINC000269035686 1127033331 /nfs/dbraw/zinc/03/33/31/1127033331.db2.gz VOBMZOAEODUCOB-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN CC[C@H](N[C@@H](CO)c1ccccc1)c1ccc(F)cc1F ZINC000268984060 1127030701 /nfs/dbraw/zinc/03/07/01/1127030701.db2.gz DPXKJYFVDIBHAZ-IRXDYDNUSA-N 0 1 291.341 3.739 20 0 CHADMN CN(CC1=CCSC1)Cc1ccccc1OCC1CC1 ZINC000668775984 1127031376 /nfs/dbraw/zinc/03/13/76/1127031376.db2.gz VEYAFPUFJAAYFN-UHFFFAOYSA-N 0 1 289.444 3.580 20 0 CHADMN CC(C)c1nnc(CN[C@H](C)[C@H](C)c2ccccc2)s1 ZINC000269132284 1127035666 /nfs/dbraw/zinc/03/56/66/1127035666.db2.gz ZRYSZUBDIOTGHL-QWHCGFSZSA-N 0 1 289.448 3.943 20 0 CHADMN CC(C)Oc1ccccc1CN[C@@H](c1ccccc1)[C@H](C)O ZINC000668786394 1127039041 /nfs/dbraw/zinc/03/90/41/1127039041.db2.gz AJUKGGCLIIWCRR-HNAYVOBHSA-N 0 1 299.414 3.686 20 0 CHADMN Cc1nc([C@H](C)NCCOc2cccc(Cl)c2)cs1 ZINC000269388335 1127039056 /nfs/dbraw/zinc/03/90/56/1127039056.db2.gz BPCWMYFKNFVQOZ-JTQLQIEISA-N 0 1 296.823 3.835 20 0 CHADMN CO[C@H]1CCCN(CCc2cc(Cl)ccc2Cl)C1 ZINC000487883894 1127044944 /nfs/dbraw/zinc/04/49/44/1127044944.db2.gz WFMGMRAGZRVROU-ZDUSSCGKSA-N 0 1 288.218 3.647 20 0 CHADMN Cc1ccncc1CN1CCc2sccc2[C@@H]1C ZINC000269506972 1127040767 /nfs/dbraw/zinc/04/07/67/1127040767.db2.gz GHWJSACTSBJTAA-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN Cc1ccncc1CN1CCSC[C@@H]1c1ccccc1 ZINC000269510192 1127040942 /nfs/dbraw/zinc/04/09/42/1127040942.db2.gz FBLCLOXHQPKHMG-QGZVFWFLSA-N 0 1 284.428 3.680 20 0 CHADMN CC(=O)CC[N@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000269520715 1127040987 /nfs/dbraw/zinc/04/09/87/1127040987.db2.gz QDRKWHTVGKNZSV-LLVKDONJSA-N 0 1 273.298 3.677 20 0 CHADMN COCCN(Cc1cnccc1C)[C@H](C)c1ccccc1 ZINC000269590834 1127042262 /nfs/dbraw/zinc/04/22/62/1127042262.db2.gz SHWULGAENZTROC-MRXNPFEDSA-N 0 1 284.403 3.600 20 0 CHADMN CC/C=C/CCN1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000488032937 1127052955 /nfs/dbraw/zinc/05/29/55/1127052955.db2.gz PGPDCOQTCUOUEQ-SNAWJCMRSA-N 0 1 295.430 3.895 20 0 CHADMN Cc1[nH+]c(N[C@H](C)CCCC(F)(F)F)ccc1C(=O)[O-] ZINC000910305463 1127053970 /nfs/dbraw/zinc/05/39/70/1127053970.db2.gz IWCJIIYHPGUTIU-MRVPVSSYSA-N 0 1 290.285 3.621 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nc2c(cccc2F)n1CC ZINC000488042021 1127054134 /nfs/dbraw/zinc/05/41/34/1127054134.db2.gz LBDMLNWPJWAURJ-CYBMUJFWSA-N 0 1 289.398 3.960 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(C(C)(C)C)cc2)ncn1 ZINC000270111802 1127050734 /nfs/dbraw/zinc/05/07/34/1127050734.db2.gz GRWNDZZAWZLZSF-AWEZNQCLSA-N 0 1 283.419 3.933 20 0 CHADMN Cc1c(Br)cccc1CN1CCC[C@H]2C[C@H]21 ZINC001236609598 1130983618 /nfs/dbraw/zinc/98/36/18/1130983618.db2.gz VRAFUYZJPRXHNL-SMDDNHRTSA-N 0 1 280.209 3.742 20 0 CHADMN COc1ccc(Cl)c(CN2CCSC[C@H](C)C2)c1 ZINC000488156306 1127058721 /nfs/dbraw/zinc/05/87/21/1127058721.db2.gz BGAWTDUVKBOLOS-LLVKDONJSA-N 0 1 285.840 3.534 20 0 CHADMN C[C@H]1CCCN(Cc2ccc(Br)c(O)c2)CC1 ZINC001236683088 1130993442 /nfs/dbraw/zinc/99/34/42/1130993442.db2.gz GIDAHQGGZFGZII-NSHDSACASA-N 0 1 298.224 3.777 20 0 CHADMN COc1ccccc1[C@@H](C)SCc1n[nH]c(C(C)C)n1 ZINC000488250428 1127065454 /nfs/dbraw/zinc/06/54/54/1127065454.db2.gz KNXWSNQYOKQRJO-LLVKDONJSA-N 0 1 291.420 3.931 20 0 CHADMN CC(C)c1nc(CSCCCc2ccccc2)n[nH]1 ZINC000488237207 1127065606 /nfs/dbraw/zinc/06/56/06/1127065606.db2.gz YRRQDJQGPLLUAZ-UHFFFAOYSA-N 0 1 275.421 3.794 20 0 CHADMN CC(C)N(Cc1cccs1)Cc1cncs1 ZINC000271072863 1127066852 /nfs/dbraw/zinc/06/68/52/1127066852.db2.gz MPXWZEQYDMLCPE-UHFFFAOYSA-N 0 1 252.408 3.615 20 0 CHADMN CC[C@H](CN[C@H](C)c1cscn1)Oc1cccc(F)c1 ZINC000271106309 1127068658 /nfs/dbraw/zinc/06/86/58/1127068658.db2.gz GFEYBDQQCOTZHP-DGCLKSJQSA-N 0 1 294.395 3.790 20 0 CHADMN COCc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)o1 ZINC000271082468 1127068716 /nfs/dbraw/zinc/06/87/16/1127068716.db2.gz ROTHRFAIHVUIKQ-QGZVFWFLSA-N 0 1 289.350 3.902 20 0 CHADMN CC(C)[C@@H](CN[C@@H](C)c1cscn1)Nc1ccccc1 ZINC000271126037 1127069349 /nfs/dbraw/zinc/06/93/49/1127069349.db2.gz KOJBAJZXKCQUMF-DZGCQCFKSA-N 0 1 289.448 3.930 20 0 CHADMN CCN(Cc1cc2ccc(F)cc2[nH]1)Cc1ccccn1 ZINC000488299004 1127070141 /nfs/dbraw/zinc/07/01/41/1127070141.db2.gz RLHAXKGEKQQTRA-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN CC(C)CCN1Cc2cccc(NC(=O)C(C)(C)F)c2C1 ZINC000271176039 1127070629 /nfs/dbraw/zinc/07/06/29/1127070629.db2.gz WTCGGUQXDVPDAM-UHFFFAOYSA-N 0 1 292.398 3.735 20 0 CHADMN FC(F)(F)C1=CCN(Cc2ccc3ncccc3c2)CC1 ZINC000271161454 1127071164 /nfs/dbraw/zinc/07/11/64/1127071164.db2.gz ASJVHWPJTHTNCM-UHFFFAOYSA-N 0 1 292.304 3.929 20 0 CHADMN Fc1ccc2cc(CN3CCC[C@H]3c3ccc[nH]3)[nH]c2c1 ZINC000488320288 1127071911 /nfs/dbraw/zinc/07/19/11/1127071911.db2.gz XYXBKABNJAKTEQ-KRWDZBQOSA-N 0 1 283.350 3.972 20 0 CHADMN CC[C@@H](CN[C@H](C)c1cscn1)Oc1ccccc1F ZINC000271195338 1127072178 /nfs/dbraw/zinc/07/21/78/1127072178.db2.gz YFTHIEXYFFRZAQ-NEPJUHHUSA-N 0 1 294.395 3.790 20 0 CHADMN C[C@@H]1SCCN(Cc2cc3ccc(F)cc3[nH]2)[C@H]1C ZINC000488305311 1127072453 /nfs/dbraw/zinc/07/24/53/1127072453.db2.gz ZTKLLIVWXNIUKS-QWRGUYRKSA-N 0 1 278.396 3.633 20 0 CHADMN C[C@H](NCC1(c2ccccc2)CC1)c1cscn1 ZINC000271176607 1127072690 /nfs/dbraw/zinc/07/26/90/1127072690.db2.gz VCEUCMQNDHEVIW-LBPRGKRZSA-N 0 1 258.390 3.526 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN1CCCc2n[nH]cc2C1 ZINC000668841883 1127073152 /nfs/dbraw/zinc/07/31/52/1127073152.db2.gz SSLMCUBJTBSQRZ-UHFFFAOYSA-N 0 1 289.810 3.628 20 0 CHADMN CCn1nc(C)c(CN2C[C@H](C)[C@H]2c2ccccc2)c1C ZINC000271208976 1127073690 /nfs/dbraw/zinc/07/36/90/1127073690.db2.gz LBJIVWYMGNHWNK-UGSOOPFHSA-N 0 1 283.419 3.713 20 0 CHADMN C[C@@H](NCc1ccc(F)c(F)c1)c1ccccc1N(C)C ZINC000271330077 1127075947 /nfs/dbraw/zinc/07/59/47/1127075947.db2.gz ZPDNDMFPJCMZOT-GFCCVEGCSA-N 0 1 290.357 3.882 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1C ZINC000271406945 1127078977 /nfs/dbraw/zinc/07/89/77/1127078977.db2.gz ACGMXOOIXCUYSG-KBPBESRZSA-N 0 1 286.423 3.957 20 0 CHADMN CC[C@@H](CN[C@H](C)c1cscn1)Oc1ccccc1C ZINC000271425967 1127080965 /nfs/dbraw/zinc/08/09/65/1127080965.db2.gz BHHHJRUQOGWPJS-KGLIPLIRSA-N 0 1 290.432 3.960 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(OC)cc1 ZINC000271446031 1127081431 /nfs/dbraw/zinc/08/14/31/1127081431.db2.gz CYJOSKOHLBQNMP-HZPDHXFCSA-N 0 1 285.391 3.537 20 0 CHADMN Cc1nc([C@@H](C)NCCOc2ccccc2Cl)cs1 ZINC000271455852 1127082340 /nfs/dbraw/zinc/08/23/40/1127082340.db2.gz FLRCXJIWYZHAJC-SNVBAGLBSA-N 0 1 296.823 3.835 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H](C)c2cc(F)ccc2F)n[nH]1 ZINC000271466303 1127083580 /nfs/dbraw/zinc/08/35/80/1127083580.db2.gz HYUKDBMARISHPQ-VHSXEESVSA-N 0 1 294.349 3.618 20 0 CHADMN CCn1cc(CN[C@@H]2C[C@H](C)Sc3sccc32)cn1 ZINC000271478290 1127084394 /nfs/dbraw/zinc/08/43/94/1127084394.db2.gz JXAOMWQQCIRHMY-GXFFZTMASA-N 0 1 293.461 3.680 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(CC)Cc1nnc(C)s1 ZINC000271472159 1127084527 /nfs/dbraw/zinc/08/45/27/1127084527.db2.gz WBXLLPVTMXTYAV-HNNXBMFYSA-N 0 1 289.448 3.690 20 0 CHADMN C[C@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(Cl)s1 ZINC000271488750 1127085271 /nfs/dbraw/zinc/08/52/71/1127085271.db2.gz ONWADLTXSWPLHZ-JOYOIKCWSA-N 0 1 299.798 3.925 20 0 CHADMN Cc1ccc([C@@H](C)NC[C@H](O)c2c(F)cccc2Cl)o1 ZINC000271489307 1127085443 /nfs/dbraw/zinc/08/54/43/1127085443.db2.gz LPUGEKLVMWZOAM-MFKMUULPSA-N 0 1 297.757 3.765 20 0 CHADMN Cc1cccc([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000271499432 1127086635 /nfs/dbraw/zinc/08/66/35/1127086635.db2.gz LXNBGTBTVZBRSH-QWHCGFSZSA-N 0 1 272.396 3.648 20 0 CHADMN CCC[C@H](N[C@H](C)c1n[nH]c(CC)n1)c1ccccc1 ZINC000271497680 1127086915 /nfs/dbraw/zinc/08/69/15/1127086915.db2.gz LSHLIAZSTGKEIC-OCCSQVGLSA-N 0 1 272.396 3.559 20 0 CHADMN CO[C@H](C)[C@H](C)N[C@@H](C)c1c(F)cccc1Cl ZINC000271528495 1127088463 /nfs/dbraw/zinc/08/84/63/1127088463.db2.gz RNTQABOOKKATQT-LPEHRKFASA-N 0 1 259.752 3.553 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(OCC(C)C)cc2)ncn1 ZINC000271521792 1127088887 /nfs/dbraw/zinc/08/88/87/1127088887.db2.gz ONESVZOVYRXIJX-HNNXBMFYSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H]1CCOc2ccc(F)cc21 ZINC000271515023 1127088897 /nfs/dbraw/zinc/08/88/97/1127088897.db2.gz IOIDKUMFRMRBTR-LRDDRELGSA-N 0 1 286.350 3.704 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000271530481 1127089390 /nfs/dbraw/zinc/08/93/90/1127089390.db2.gz QUVLKQSSMGEWBB-LSDHHAIUSA-N 0 1 255.365 3.528 20 0 CHADMN CN(C(=O)c1ccc(NC2=NCCC2)cc1)c1ccsc1 ZINC000912003108 1127091376 /nfs/dbraw/zinc/09/13/76/1127091376.db2.gz GRFKRHCUIYYPPO-UHFFFAOYSA-N 0 1 299.399 3.629 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H](C)c1cnccc1C ZINC000271561594 1127092227 /nfs/dbraw/zinc/09/22/27/1127092227.db2.gz OKFXMTYLFKUBTE-KBPBESRZSA-N 0 1 270.376 3.810 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000271554834 1127092389 /nfs/dbraw/zinc/09/23/89/1127092389.db2.gz VRABQQXPGXQRII-JQWIXIFHSA-N 0 1 261.394 3.508 20 0 CHADMN C[C@@H](N[C@H]1CCc2cc(F)ccc21)c1cccc2c1OCO2 ZINC000924844128 1127092441 /nfs/dbraw/zinc/09/24/41/1127092441.db2.gz QUOMXXGGNREFCM-BZNIZROVSA-N 0 1 299.345 3.893 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H](c2ccccc2)C2CCCC2)c2ncnn21 ZINC000924847358 1127106433 /nfs/dbraw/zinc/10/64/33/1127106433.db2.gz UAHKWQKUXXQLRA-KBRIMQKVSA-N 0 1 296.418 3.805 20 0 CHADMN COCc1ccc(CNCc2ccc(C(F)F)cc2)o1 ZINC000274178363 1127110579 /nfs/dbraw/zinc/11/05/79/1127110579.db2.gz OCYSKKYTXLOHEW-UHFFFAOYSA-N 0 1 281.302 3.653 20 0 CHADMN CCn1ccnc1[C@H]1CCCCN1[C@H]1C=CCCC1 ZINC000339150024 1127116126 /nfs/dbraw/zinc/11/61/26/1127116126.db2.gz MGSLPTDJTRQNLP-LSDHHAIUSA-N 0 1 259.397 3.539 20 0 CHADMN Cc1ccc2ccccc2c1CN[C@H](CCO)c1ccco1 ZINC000274407188 1127117932 /nfs/dbraw/zinc/11/79/32/1127117932.db2.gz LDNJMCDRQWLJHD-GOSISDBHSA-N 0 1 295.382 3.955 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@H]1CCc2c1cccc2O ZINC000274421788 1127119385 /nfs/dbraw/zinc/11/93/85/1127119385.db2.gz HKGQLBSVPGUPLR-MFKMUULPSA-N 0 1 289.400 3.800 20 0 CHADMN CC(C)C[C@@H](C)CC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000067905662 1127120416 /nfs/dbraw/zinc/12/04/16/1127120416.db2.gz MELYCMOGBBXPFN-UKRRQHHQSA-N 0 1 296.480 3.539 20 0 CHADMN CC(C)n1ccc(CN[C@@H](C)[C@H]2Oc3ccccc3[C@H]2C)n1 ZINC000348529446 1127121120 /nfs/dbraw/zinc/12/11/20/1127121120.db2.gz FAUFNNWAHHHWCI-GLJUWKHASA-N 0 1 299.418 3.507 20 0 CHADMN CCCCOCCN[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000924853793 1127121124 /nfs/dbraw/zinc/12/11/24/1127121124.db2.gz PYZCCCTXQDWMPJ-LJQANCHMSA-N 0 1 298.430 3.886 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@@H](c3ccccc3)[C@H]2C)s1 ZINC000283052046 1127121619 /nfs/dbraw/zinc/12/16/19/1127121619.db2.gz IYQDRNHUOZOPJI-TYNCELHUSA-N 0 1 287.432 3.786 20 0 CHADMN CC(C)[C@@H](C)N(Cc1nc(Cl)cs1)C1CC1 ZINC000876522745 1127126294 /nfs/dbraw/zinc/12/62/94/1127126294.db2.gz ATIJIRNWMLOEII-SECBINFHSA-N 0 1 258.818 3.805 20 0 CHADMN CN(Cc1ccc(Oc2ccccc2)o1)[C@@H]1CCCOC1 ZINC000348736858 1127126820 /nfs/dbraw/zinc/12/68/20/1127126820.db2.gz ARSSDCIMCPIUOX-CQSZACIVSA-N 0 1 287.359 3.683 20 0 CHADMN O=C(OC/C=C\c1ccccc1)c1cc(-c2ccco2)n[nH]1 ZINC000913299240 1127128139 /nfs/dbraw/zinc/12/81/39/1127128139.db2.gz WOFYNRYROFWJSL-YWEYNIOJSA-N 0 1 294.310 3.540 20 0 CHADMN COc1ccccc1/C=C\CN1CCC[C@H]1c1cccnc1 ZINC000348924256 1127134524 /nfs/dbraw/zinc/13/45/24/1127134524.db2.gz VXVGTZGJPOAGTO-ZETNRXDVSA-N 0 1 294.398 3.941 20 0 CHADMN CCN(CCOc1c(C)cccc1C)CCC(F)(F)F ZINC000586768302 1127139188 /nfs/dbraw/zinc/13/91/88/1127139188.db2.gz OFWQJQWARJAVHY-UHFFFAOYSA-N 0 1 289.341 3.957 20 0 CHADMN CC(C)C[C@H](N[C@H]1CCn2ccnc21)c1ccccc1 ZINC000294274424 1129215160 /nfs/dbraw/zinc/21/51/60/1129215160.db2.gz YBPSNYSEUVBBBG-HOTGVXAUSA-N 0 1 269.392 3.705 20 0 CHADMN C[C@H](CCSc1ccccc1)N[C@H](C)c1ccon1 ZINC000349246444 1127144358 /nfs/dbraw/zinc/14/43/58/1127144358.db2.gz SRUFLLWKVWVJBF-CHWSQXEVSA-N 0 1 276.405 3.896 20 0 CHADMN C(=C\c1ccccc1)\CN(Cc1ccccn1)C1CC1 ZINC000349278343 1127145379 /nfs/dbraw/zinc/14/53/79/1127145379.db2.gz MSLHURWPTBPSGQ-TWGQIWQCSA-N 0 1 264.372 3.759 20 0 CHADMN OC[C@H](N[C@H]1CCc2ccc(Cl)cc21)c1ccsc1 ZINC000349341616 1127148407 /nfs/dbraw/zinc/14/84/07/1127148407.db2.gz LFGSXRHQEVSEIQ-GJZGRUSLSA-N 0 1 293.819 3.712 20 0 CHADMN CO[C@@H](c1ccccc1)[C@@H](C)NCc1noc2ccccc12 ZINC000570941613 1127150414 /nfs/dbraw/zinc/15/04/14/1127150414.db2.gz PJGNZWYFNRKKSY-FZKQIMNGSA-N 0 1 296.370 3.694 20 0 CHADMN CN(Cc1cc2c(cccc2F)[nH]1)Cc1ccc(O)cc1 ZINC000349424112 1127150463 /nfs/dbraw/zinc/15/04/63/1127150463.db2.gz YYHHNCLEAJULEY-UHFFFAOYSA-N 0 1 284.334 3.645 20 0 CHADMN Cc1ccc([C@H](NCc2cnc(C)s2)C2CCC2)o1 ZINC000349452619 1127151224 /nfs/dbraw/zinc/15/12/24/1127151224.db2.gz KCPZFZFJTNJNHE-OAHLLOKOSA-N 0 1 276.405 3.984 20 0 CHADMN CC[C@@H](NC)c1nc(-c2ccc(C(C)C)cc2)no1 ZINC000044626058 1127155103 /nfs/dbraw/zinc/15/51/03/1127155103.db2.gz PCVXMFGAGLHHOB-CYBMUJFWSA-N 0 1 259.353 3.531 20 0 CHADMN Cc1nc(C)c(CN(C)Cc2cccc(C)c2)s1 ZINC000349698170 1127157350 /nfs/dbraw/zinc/15/73/50/1127157350.db2.gz FFHWCHJUYOWIDU-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN CCC1CCC(N(C)Cc2csc(COC)n2)CC1 ZINC000349679280 1127157738 /nfs/dbraw/zinc/15/77/38/1127157738.db2.gz LPMKWPDSVWEIPR-UHFFFAOYSA-N 0 1 282.453 3.690 20 0 CHADMN CCc1ccc(NCc2n[nH]c(C3CC3)n2)cc1Cl ZINC000349700979 1127158696 /nfs/dbraw/zinc/15/86/96/1127158696.db2.gz USRZTHCLMMGTHE-UHFFFAOYSA-N 0 1 276.771 3.510 20 0 CHADMN Cc1cccc2ncc(CN(Cc3ccccc3)C3CC3)n21 ZINC000349799617 1127161722 /nfs/dbraw/zinc/16/17/22/1127161722.db2.gz KHUCEJNBFUTFOV-UHFFFAOYSA-N 0 1 291.398 3.807 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@@H](CCO)c1ccccc1 ZINC000349820739 1127162819 /nfs/dbraw/zinc/16/28/19/1127162819.db2.gz HMXVQBTVHUZNAA-OCCSQVGLSA-N 0 1 291.416 3.531 20 0 CHADMN CO[C@H](CN1CC(C)(C)OC[C@@H]1C)c1ccc(Cl)cc1 ZINC000571704364 1127164669 /nfs/dbraw/zinc/16/46/69/1127164669.db2.gz RYSGRVHYGCYDMQ-SWLSCSKDSA-N 0 1 297.826 3.527 20 0 CHADMN CC(C)c1ccccc1NS(=O)(=O)c1ccsc1 ZINC000349942650 1127168257 /nfs/dbraw/zinc/16/82/57/1127168257.db2.gz BVCDPGYMBUEDBG-UHFFFAOYSA-N 0 1 281.402 3.672 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)N(C)c2cc(C)cc(C)c2)c1 ZINC000588088193 1127173514 /nfs/dbraw/zinc/17/35/14/1127173514.db2.gz VCTNQFNAQOZNLP-UHFFFAOYSA-N 0 1 293.370 3.765 20 0 CHADMN COCCN(Cc1ccsc1C)Cc1ccccc1 ZINC000350219123 1127174596 /nfs/dbraw/zinc/17/45/96/1127174596.db2.gz LRHMJMJSRHPBLP-UHFFFAOYSA-N 0 1 275.417 3.705 20 0 CHADMN CO[C@H](CNC(C)(C)c1nc(C)cs1)c1ccccc1 ZINC000284294087 1127180060 /nfs/dbraw/zinc/18/00/60/1127180060.db2.gz GHQJPGLIEAKURK-CQSZACIVSA-N 0 1 290.432 3.664 20 0 CHADMN CCc1nocc1CN1CCC(OC2CCCCC2)CC1 ZINC000350944733 1127183114 /nfs/dbraw/zinc/18/31/14/1127183114.db2.gz VGHKWXQMPLYTFH-UHFFFAOYSA-N 0 1 292.423 3.551 20 0 CHADMN COCCN(C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000284408956 1127183186 /nfs/dbraw/zinc/18/31/86/1127183186.db2.gz QHTXFQWHVRDAHX-UHFFFAOYSA-N 0 1 296.823 3.542 20 0 CHADMN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1cc(C)no1 ZINC000351144876 1127185457 /nfs/dbraw/zinc/18/54/57/1127185457.db2.gz MYLBFEVFYCJKPU-NHYWBVRUSA-N 0 1 294.782 3.502 20 0 CHADMN CC[C@H](NC[C@@H](OC)c1ccccc1)c1nc(C)cs1 ZINC000284461137 1127185718 /nfs/dbraw/zinc/18/57/18/1127185718.db2.gz RXFKYZHLWCMSAL-LSDHHAIUSA-N 0 1 290.432 3.880 20 0 CHADMN CC(C)Cn1ccnc1NCc1ccccc1OC(F)F ZINC000351544587 1127192751 /nfs/dbraw/zinc/19/27/51/1127192751.db2.gz ITMFKAXUSBAYES-UHFFFAOYSA-N 0 1 295.333 3.753 20 0 CHADMN Cc1occc1C[N@H+](C)CCO[C@H]1CCCC[C@@H]1C ZINC000351562868 1127193365 /nfs/dbraw/zinc/19/33/65/1127193365.db2.gz CMZZRYRQEGFXBU-BBRMVZONSA-N 0 1 265.397 3.615 20 0 CHADMN Cc1occc1CN(C)CCO[C@H]1CCCC[C@@H]1C ZINC000351562868 1127193368 /nfs/dbraw/zinc/19/33/68/1127193368.db2.gz CMZZRYRQEGFXBU-BBRMVZONSA-N 0 1 265.397 3.615 20 0 CHADMN CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000572127708 1127193724 /nfs/dbraw/zinc/19/37/24/1127193724.db2.gz PIEXMQIPUOUGGG-HNNXBMFYSA-N 0 1 293.382 3.925 20 0 CHADMN CC(C)Cn1ccnc1NCc1cc2c(cccc2F)[nH]1 ZINC000351567794 1127193891 /nfs/dbraw/zinc/19/38/91/1127193891.db2.gz JJTUEVXJFYINGT-UHFFFAOYSA-N 0 1 286.354 3.772 20 0 CHADMN CC(C)Cn1ccnc1NCc1cc(Cl)cs1 ZINC000351569500 1127194037 /nfs/dbraw/zinc/19/40/37/1127194037.db2.gz UFOFHGDWXFBOQC-UHFFFAOYSA-N 0 1 269.801 3.866 20 0 CHADMN CCCc1csc(CNc2nccn2-c2ccccc2)n1 ZINC000351565889 1127194293 /nfs/dbraw/zinc/19/42/93/1127194293.db2.gz ALKTYXGHRKFEDN-UHFFFAOYSA-N 0 1 298.415 3.893 20 0 CHADMN CC(C)Cn1ccnc1NCc1cccc(OC(C)C)c1 ZINC000351570475 1127194320 /nfs/dbraw/zinc/19/43/20/1127194320.db2.gz WBCFWSKSPUOJFP-UHFFFAOYSA-N 0 1 287.407 3.938 20 0 CHADMN CCc1cnc(CNc2nccn2Cc2ccccc2)s1 ZINC000351569249 1127194339 /nfs/dbraw/zinc/19/43/39/1127194339.db2.gz LPLWPQGLIJNORK-UHFFFAOYSA-N 0 1 298.415 3.562 20 0 CHADMN CC(C)Cn1ccnc1NCc1ccc2occc2c1 ZINC000351571002 1127194522 /nfs/dbraw/zinc/19/45/22/1127194522.db2.gz QLGINOVFVMYAOY-UHFFFAOYSA-N 0 1 269.348 3.897 20 0 CHADMN CC(C)Cn1ccnc1NCc1ccc(OC(C)C)cc1 ZINC000351566106 1127194583 /nfs/dbraw/zinc/19/45/83/1127194583.db2.gz DYOMBLRFLHODIY-UHFFFAOYSA-N 0 1 287.407 3.938 20 0 CHADMN Fc1cccc(F)c1CNc1nccn1Cc1ccccc1 ZINC000351565684 1127194614 /nfs/dbraw/zinc/19/46/14/1127194614.db2.gz DLSWAQZGTVZACC-UHFFFAOYSA-N 0 1 299.324 3.822 20 0 CHADMN COCCN(Cc1ccc(C)o1)[C@H](C)c1ccccc1 ZINC000351588388 1127196432 /nfs/dbraw/zinc/19/64/32/1127196432.db2.gz HNZWBYQODDIRCK-OAHLLOKOSA-N 0 1 273.376 3.798 20 0 CHADMN CC1=CCN(CCc2ccc(F)cc2Cl)CC1 ZINC000572296500 1127197623 /nfs/dbraw/zinc/19/76/23/1127197623.db2.gz HMKMZLDOQUMGJC-UHFFFAOYSA-N 0 1 253.748 3.674 20 0 CHADMN CCn1cc([C@@H](C)NC2(c3ccc(Cl)cc3)CC2)cn1 ZINC000572312454 1127197739 /nfs/dbraw/zinc/19/77/39/1127197739.db2.gz GYYSDUMDYUDTOS-GFCCVEGCSA-N 0 1 289.810 3.896 20 0 CHADMN COc1cccc(CN[C@H](C)c2cnc(C)s2)c1C ZINC000658353943 1127198873 /nfs/dbraw/zinc/19/88/73/1127198873.db2.gz RONHZWLSLBCNRS-LLVKDONJSA-N 0 1 276.405 3.619 20 0 CHADMN CCc1ccc(NC(=O)[C@@H](C)N2CCC(C)(C)CC2)cc1 ZINC000588904211 1127204014 /nfs/dbraw/zinc/20/40/14/1127204014.db2.gz WKTXHBUJAZFCMT-CQSZACIVSA-N 0 1 288.435 3.698 20 0 CHADMN CN(Cc1nc(-c2cccc(Cl)c2)no1)CC(C)(C)C ZINC000588902684 1127204392 /nfs/dbraw/zinc/20/43/92/1127204392.db2.gz UUGVBLDXTJBIAZ-UHFFFAOYSA-N 0 1 293.798 3.868 20 0 CHADMN CC(C)(C)Oc1cccc(CN2CCC(C(F)F)CC2)n1 ZINC000351700885 1127204573 /nfs/dbraw/zinc/20/45/73/1127204573.db2.gz SUSGBNDUIRQSKR-UHFFFAOYSA-N 0 1 298.377 3.736 20 0 CHADMN Cc1cc([C@@H](C)NCCCSc2ccc(F)cc2)no1 ZINC000284882737 1127210360 /nfs/dbraw/zinc/21/03/60/1127210360.db2.gz BLRWAPOKPAXVHD-GFCCVEGCSA-N 0 1 294.395 3.955 20 0 CHADMN COc1c(C)cc(CN2CCc3ccc(O)cc3C2)cc1C ZINC000351956159 1127214893 /nfs/dbraw/zinc/21/48/93/1127214893.db2.gz ATAIBRQWXHTIRT-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN C[C@@H](F)CCN[C@H](c1nccs1)c1ccccc1 ZINC000351880076 1127213214 /nfs/dbraw/zinc/21/32/14/1127213214.db2.gz WELJEGHPXQFCII-YPMHNXCESA-N 0 1 264.369 3.570 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCO[C@H](c3ccccc3)C2)no1 ZINC000284980536 1127213863 /nfs/dbraw/zinc/21/38/63/1127213863.db2.gz GCYPEKHEWXGGHT-QRTARXTBSA-N 0 1 286.375 3.554 20 0 CHADMN CCC[C@H](N[C@@H](C)c1cc(C)on1)[C@@H](O)c1ccccc1 ZINC000284998132 1127214398 /nfs/dbraw/zinc/21/43/98/1127214398.db2.gz GSKZJLYDHUIQIM-QRTARXTBSA-N 0 1 288.391 3.536 20 0 CHADMN CO[C@H](C)CN1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000285074227 1127216267 /nfs/dbraw/zinc/21/62/67/1127216267.db2.gz PFMWHHBZCZVCFE-PBHICJAKSA-N 0 1 299.418 3.639 20 0 CHADMN CC(C)[C@@H]1CCC[C@H](NC(=O)c2cc(F)cc(F)c2O)C1 ZINC001293133864 1127217065 /nfs/dbraw/zinc/21/70/65/1127217065.db2.gz GLESPWCCXFWLSG-PWSUYJOCSA-N 0 1 297.345 3.615 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1NCc1cnn(C)c1 ZINC000285372564 1127224316 /nfs/dbraw/zinc/22/43/16/1127224316.db2.gz CEUJKONHTISMAA-UHFFFAOYSA-N 0 1 298.434 3.721 20 0 CHADMN Cc1cc2cc(CNCc3cnn(CC(C)C)c3)ccc2[nH]1 ZINC000285362573 1127224372 /nfs/dbraw/zinc/22/43/72/1127224372.db2.gz BKICPKHBOOZJNH-UHFFFAOYSA-N 0 1 296.418 3.619 20 0 CHADMN CN(Cc1coc(-c2ccc(F)c(F)c2)n1)C(C)(C)C ZINC000572718701 1127225000 /nfs/dbraw/zinc/22/50/00/1127225000.db2.gz SDDCGQGRTLUQRW-UHFFFAOYSA-N 0 1 280.318 3.850 20 0 CHADMN COCc1ccc(CNCc2ccc(CSC)cc2)o1 ZINC000285446002 1127228477 /nfs/dbraw/zinc/22/84/77/1127228477.db2.gz IOPMXIDTZGOLCV-UHFFFAOYSA-N 0 1 291.416 3.579 20 0 CHADMN Cc1ncc(CN(C)[C@@H](c2ccc(F)cc2)C(C)C)cn1 ZINC000352407576 1127229506 /nfs/dbraw/zinc/22/95/06/1127229506.db2.gz QNXMFYUNJLTFRC-QGZVFWFLSA-N 0 1 287.382 3.753 20 0 CHADMN CO[C@H]1CN(Cc2ccccc2C(F)(F)F)CC[C@H]1C ZINC000352401637 1127229573 /nfs/dbraw/zinc/22/95/73/1127229573.db2.gz JAHWAXIBJLXLGW-RISCZKNCSA-N 0 1 287.325 3.562 20 0 CHADMN CCCC[C@H](C)N(C)Cc1nccn1-c1ccccc1 ZINC000352409342 1127230515 /nfs/dbraw/zinc/23/05/15/1127230515.db2.gz KCEVZLNUPYTRGW-HNNXBMFYSA-N 0 1 271.408 3.883 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N(C)c1ccc2cc[nH]c2c1 ZINC000352434717 1127232458 /nfs/dbraw/zinc/23/24/58/1127232458.db2.gz ZUUHBSPBQKKAGK-UHFFFAOYSA-N 0 1 296.374 3.599 20 0 CHADMN Cc1cc(CN[C@@H](C)c2oc3ccccc3c2C)[nH]n1 ZINC000589644295 1127232552 /nfs/dbraw/zinc/23/25/52/1127232552.db2.gz LJXMAASVVNUBPT-LBPRGKRZSA-N 0 1 269.348 3.624 20 0 CHADMN Cc1cc(CN[C@@H](C)c2oc3ccccc3c2C)n[nH]1 ZINC000589644295 1127232554 /nfs/dbraw/zinc/23/25/54/1127232554.db2.gz LJXMAASVVNUBPT-LBPRGKRZSA-N 0 1 269.348 3.624 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(C(F)(F)F)cc2)[nH]n1 ZINC000589639232 1127232602 /nfs/dbraw/zinc/23/26/02/1127232602.db2.gz YDZNBOGHKFMEIR-SNVBAGLBSA-N 0 1 283.297 3.588 20 0 CHADMN Fc1ccc(CNCc2ccc3cccnc3c2)c(F)c1 ZINC000589647266 1127233028 /nfs/dbraw/zinc/23/30/28/1127233028.db2.gz PRHSYKUCSDUCKZ-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN Cc1cc(C)c(CNCc2nn(C)c3ccccc23)c(C)c1 ZINC000589647849 1127233195 /nfs/dbraw/zinc/23/31/95/1127233195.db2.gz ZSNLLCYIJACMHO-UHFFFAOYSA-N 0 1 293.414 3.788 20 0 CHADMN Cn1nc(CNC2(c3ccccc3)CCC2)c2ccccc21 ZINC000589647212 1127233460 /nfs/dbraw/zinc/23/34/60/1127233460.db2.gz NQKIWUNCRCBORO-UHFFFAOYSA-N 0 1 291.398 3.742 20 0 CHADMN c1ccc2c(CN[C@H]3CCCOc4ccccc43)n[nH]c2c1 ZINC000589647887 1127233514 /nfs/dbraw/zinc/23/35/14/1127233514.db2.gz LVBHSMCRWHFATO-HNNXBMFYSA-N 0 1 293.370 3.566 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2NCc1cnc2ccccc2n1 ZINC000589837757 1127236347 /nfs/dbraw/zinc/23/63/47/1127236347.db2.gz AMXQVMKRIWPVFX-INIZCTEOSA-N 0 1 293.345 3.546 20 0 CHADMN Cc1cccc2cc(C(=O)Nc3ccc4nc[nH]c4c3)oc21 ZINC000352488694 1127236714 /nfs/dbraw/zinc/23/67/14/1127236714.db2.gz SWVMXAPADFJBOY-UHFFFAOYSA-N 0 1 291.310 3.870 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2cc(C)ccn2)c1 ZINC000285703109 1127240698 /nfs/dbraw/zinc/24/06/98/1127240698.db2.gz PDPXKORVBAZTJR-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN CCOc1cccc(CN[C@@H](C)c2cc(C)ccn2)c1 ZINC000285703104 1127240862 /nfs/dbraw/zinc/24/08/62/1127240862.db2.gz PDPXKORVBAZTJR-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN CCOCc1ccccc1CN[C@@H](C)c1cc(C)ccn1 ZINC000285674705 1127240897 /nfs/dbraw/zinc/24/08/97/1127240897.db2.gz NPYZBSQYBTXNAR-HNNXBMFYSA-N 0 1 284.403 3.777 20 0 CHADMN Cc1ccc(-c2nc(C[N@H+](C)C(C)(C)C)cs2)o1 ZINC000646087756 1127241881 /nfs/dbraw/zinc/24/18/81/1127241881.db2.gz LBKIINDWQZBIFH-UHFFFAOYSA-N 0 1 264.394 3.942 20 0 CHADMN Cc1ccc(-c2nc(CN(C)C(C)(C)C)cs2)o1 ZINC000646087756 1127241884 /nfs/dbraw/zinc/24/18/84/1127241884.db2.gz LBKIINDWQZBIFH-UHFFFAOYSA-N 0 1 264.394 3.942 20 0 CHADMN Cc1sccc1CN1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001237965463 1131156770 /nfs/dbraw/zinc/15/67/70/1131156770.db2.gz ZQHPOGRHWFDBID-CYBMUJFWSA-N 0 1 297.420 3.583 20 0 CHADMN CC(C)(C(=O)NOCCC1CC1)c1ccc(Cl)cc1F ZINC000817383263 1131157266 /nfs/dbraw/zinc/15/72/66/1131157266.db2.gz IHYHOFGXRAYBHK-UHFFFAOYSA-N 0 1 299.773 3.605 20 0 CHADMN CC[C@H]1C[N@@H+](CCCOc2ccc3ccccc3c2)CCO1 ZINC000590058528 1127246684 /nfs/dbraw/zinc/24/66/84/1127246684.db2.gz NJFVUORASAMXLD-SFHVURJKSA-N 0 1 299.414 3.720 20 0 CHADMN CC[C@H]1CN(CCCOc2ccc3ccccc3c2)CCO1 ZINC000590058528 1127246685 /nfs/dbraw/zinc/24/66/85/1127246685.db2.gz NJFVUORASAMXLD-SFHVURJKSA-N 0 1 299.414 3.720 20 0 CHADMN COc1cnccc1[C@H](C)NCc1ccc(SC)s1 ZINC000352892306 1127248560 /nfs/dbraw/zinc/24/85/60/1127248560.db2.gz KTRNRVYSJZBNBZ-JTQLQIEISA-N 0 1 294.445 3.724 20 0 CHADMN c1c[nH]c([C@@H]2CCCCN2Cc2cccc3cc[nH]c32)n1 ZINC000352899171 1127249082 /nfs/dbraw/zinc/24/90/82/1127249082.db2.gz BTPRLHSPVKELGB-HNNXBMFYSA-N 0 1 280.375 3.618 20 0 CHADMN CCCN(Cc1conc1CC)[C@@H]1CCCc2cccnc21 ZINC000352949669 1127252796 /nfs/dbraw/zinc/25/27/96/1127252796.db2.gz YQXJYFDZEKKWJK-QGZVFWFLSA-N 0 1 299.418 3.922 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cc(F)c([O-])c(Cl)c2)C2(CC2)C1 ZINC001237994017 1131159137 /nfs/dbraw/zinc/15/91/37/1131159137.db2.gz YZJBIYPAAIXVPR-SECBINFHSA-N 0 1 269.747 3.559 20 0 CHADMN Cc1c[nH]nc1CN[C@H]1C[C@H](C(C)C)c2ccccc21 ZINC000352956602 1127253648 /nfs/dbraw/zinc/25/36/48/1127253648.db2.gz ZQGCFQDFUBCUAA-CVEARBPZSA-N 0 1 269.392 3.692 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccc3occc3c2)n[nH]1 ZINC000286019504 1127253666 /nfs/dbraw/zinc/25/36/66/1127253666.db2.gz PSLWFBMLHGOHIH-VXGBXAGGSA-N 0 1 298.390 3.915 20 0 CHADMN Fc1cc(F)c(CNCC2(C(F)(F)F)CC2)cc1F ZINC000353050490 1127259310 /nfs/dbraw/zinc/25/93/10/1127259310.db2.gz VTIRFXRQPOKINC-UHFFFAOYSA-N 0 1 283.215 3.536 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1c(C)nn(C)c1C ZINC000353034129 1127258983 /nfs/dbraw/zinc/25/89/83/1127258983.db2.gz LHJGTLPUOJIKEX-KAMYIIQDSA-N 0 1 283.419 3.572 20 0 CHADMN COC(=O)c1coc(C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2)c1 ZINC000353227656 1127264715 /nfs/dbraw/zinc/26/47/15/1127264715.db2.gz IKTREDNIZXRFMQ-CXAGYDPISA-N 0 1 299.370 3.649 20 0 CHADMN Cc1ccccc1[C@H]1CN(CCCCF)[C@@H](C)CO1 ZINC000286332275 1127265764 /nfs/dbraw/zinc/26/57/64/1127265764.db2.gz IFCXTBSACWXQDA-GOEBONIOSA-N 0 1 265.372 3.507 20 0 CHADMN CCc1nnc(CN2CCC[C@@H](c3ccc(CC)cc3)C2)o1 ZINC000286542343 1127268730 /nfs/dbraw/zinc/26/87/30/1127268730.db2.gz RZMRINSSHTUZOI-MRXNPFEDSA-N 0 1 299.418 3.574 20 0 CHADMN CC(C)(C)c1ccc(C[N@@H+](CC(=O)[O-])C2CCCC2)s1 ZINC000166278125 1127269945 /nfs/dbraw/zinc/26/99/45/1127269945.db2.gz VTLNRHJOVVOXHE-UHFFFAOYSA-N 0 1 295.448 3.875 20 0 CHADMN C[C@H]1CCCCCN1Cc1ccn(C2CCCC2)n1 ZINC000477279780 1127277832 /nfs/dbraw/zinc/27/78/32/1127277832.db2.gz PRJUIDVFGONQHK-AWEZNQCLSA-N 0 1 261.413 3.763 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN1CCS[C@H](C)[C@H]1C ZINC000353923854 1127278800 /nfs/dbraw/zinc/27/88/00/1127278800.db2.gz PDJDEMKIBSPETB-TZMCWYRMSA-N 0 1 295.496 3.581 20 0 CHADMN Cc1nc([C@@H](C)NCC2(C(F)(F)F)CCC2)cs1 ZINC000353959346 1127281822 /nfs/dbraw/zinc/28/18/22/1127281822.db2.gz UIOFDDSMIHPHDM-MRVPVSSYSA-N 0 1 278.343 3.835 20 0 CHADMN COCC1CN(Cc2ccc(Cl)c(C(C)C)c2)C1 ZINC001238216858 1131182295 /nfs/dbraw/zinc/18/22/95/1131182295.db2.gz GJTBDODIYQSTTB-UHFFFAOYSA-N 0 1 267.800 3.542 20 0 CHADMN CCCCCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000287031734 1127283366 /nfs/dbraw/zinc/28/33/66/1127283366.db2.gz SEOGVHGVGUBMTK-UHFFFAOYSA-N 0 1 259.708 3.704 20 0 CHADMN CC1(C)CN(Cc2ccc(CO)cc2)[C@H]1c1cccs1 ZINC000287042733 1127283893 /nfs/dbraw/zinc/28/38/93/1127283893.db2.gz SZPWUBRCXVBFDC-INIZCTEOSA-N 0 1 287.428 3.824 20 0 CHADMN CC1(C)CN(Cc2ccc(CO)cc2)[C@@H]1c1cccs1 ZINC000287042738 1127284125 /nfs/dbraw/zinc/28/41/25/1127284125.db2.gz SZPWUBRCXVBFDC-MRXNPFEDSA-N 0 1 287.428 3.824 20 0 CHADMN C=Cn1cc(CN2CC[C@H](c3cccc(Cl)c3)C2)cn1 ZINC000354011873 1127284864 /nfs/dbraw/zinc/28/48/64/1127284864.db2.gz WIUHMSRVAFQBNR-HNNXBMFYSA-N 0 1 287.794 3.627 20 0 CHADMN CCc1cnc(CN(C)C[C@H]2C[C@H]2c2ccccc2)s1 ZINC000354011774 1127285002 /nfs/dbraw/zinc/28/50/02/1127285002.db2.gz UVUMLHXVLTVCAF-ZBFHGGJFSA-N 0 1 286.444 3.941 20 0 CHADMN Cc1ccc(F)c(NC(=O)[C@H](C(C)C)N2CCCCC2)c1 ZINC000591110386 1127287113 /nfs/dbraw/zinc/28/71/13/1127287113.db2.gz ZRCNOKLLIZMYOR-INIZCTEOSA-N 0 1 292.398 3.583 20 0 CHADMN COCc1ccc(CN2CC[C@@H](C)C[C@@H]2c2ccco2)o1 ZINC000354039017 1127287641 /nfs/dbraw/zinc/28/76/41/1127287641.db2.gz LPPCLIWOMURQFU-CZUORRHYSA-N 0 1 289.375 3.992 20 0 CHADMN CN(Cc1c(F)cccc1F)[C@H]1CCC(C)(C)C1 ZINC001307739078 1127288857 /nfs/dbraw/zinc/28/88/57/1127288857.db2.gz UODICLDMGDBDKF-NSHDSACASA-N 0 1 253.336 3.975 20 0 CHADMN CC(C)c1cc(CN2CC[C@H](O)C[C@H]2C)ccc1Cl ZINC001238227339 1131184733 /nfs/dbraw/zinc/18/47/33/1131184733.db2.gz IBZMUEPMALFQOW-OCCSQVGLSA-N 0 1 281.827 3.809 20 0 CHADMN CC[C@@]1(C)CCN(Cc2nccn2Cc2ccccc2)C1 ZINC000354105656 1127293336 /nfs/dbraw/zinc/29/33/36/1127293336.db2.gz DEWLASZSBPLQPA-SFHVURJKSA-N 0 1 283.419 3.553 20 0 CHADMN CC(C)(C)CCCCC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000287195400 1127295801 /nfs/dbraw/zinc/29/58/01/1127295801.db2.gz HJWJUGSEMLPFSR-ZDUSSCGKSA-N 0 1 277.412 3.510 20 0 CHADMN COCc1cnc(CN2CC[C@H](C(C)(C)C)C[C@H]2C)s1 ZINC000573167692 1127298073 /nfs/dbraw/zinc/29/80/73/1127298073.db2.gz UTHZCKFAETUOEB-OLZOCXBDSA-N 0 1 296.480 3.936 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000573259194 1127304279 /nfs/dbraw/zinc/30/42/79/1127304279.db2.gz LOXXNXVQKANNQH-PBHICJAKSA-N 0 1 295.382 3.763 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)N1CCC[C@H](CCO)C1 ZINC000591473189 1127305162 /nfs/dbraw/zinc/30/51/62/1127305162.db2.gz GGPSTSGFQHFGIN-NWDGAFQWSA-N 0 1 285.790 3.635 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@@H](CCO)C1 ZINC000591473188 1127305330 /nfs/dbraw/zinc/30/53/30/1127305330.db2.gz GGPSTSGFQHFGIN-NEPJUHHUSA-N 0 1 285.790 3.635 20 0 CHADMN C[C@@H]1COCC[C@@H]1CN[C@H](CCc1ccccc1)C(F)F ZINC000287483410 1127307978 /nfs/dbraw/zinc/30/79/78/1127307978.db2.gz MXLLBPGCFAXKCL-FVQBIDKESA-N 0 1 297.389 3.515 20 0 CHADMN CCO[C@@H](c1noc(-c2ccc(Cl)cc2O)n1)C(C)C ZINC000157402371 1127308731 /nfs/dbraw/zinc/30/87/31/1127308731.db2.gz DFZGBLMWSUBHSD-GFCCVEGCSA-N 0 1 296.754 3.829 20 0 CHADMN CC(C)(C)[N@@H+](Cc1ccccc1)Cc1ncccc1O ZINC000573406333 1127309500 /nfs/dbraw/zinc/30/95/00/1127309500.db2.gz YMQHEYFQCCNJBN-UHFFFAOYSA-N 0 1 270.376 3.588 20 0 CHADMN CC(C)(C)[N@H+](Cc1ccccc1)Cc1ncccc1[O-] ZINC000573406333 1127309505 /nfs/dbraw/zinc/30/95/05/1127309505.db2.gz YMQHEYFQCCNJBN-UHFFFAOYSA-N 0 1 270.376 3.588 20 0 CHADMN CC(C)(C)[N@@H+](Cc1ccccc1)Cc1ncccc1[O-] ZINC000573406333 1127309508 /nfs/dbraw/zinc/30/95/08/1127309508.db2.gz YMQHEYFQCCNJBN-UHFFFAOYSA-N 0 1 270.376 3.588 20 0 CHADMN CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000780961151 1127310155 /nfs/dbraw/zinc/31/01/55/1127310155.db2.gz WELHYQSTRSHCRJ-VXGBXAGGSA-N 0 1 280.387 3.508 20 0 CHADMN Cc1ccc([C@@H](NCCOC2CCC2)c2ccccn2)cc1 ZINC000287916821 1127315310 /nfs/dbraw/zinc/31/53/10/1127315310.db2.gz VWRAWLWVCADBAO-LJQANCHMSA-N 0 1 296.414 3.638 20 0 CHADMN COc1ccncc1CN[C@@H](c1ccccc1)C1CCC1 ZINC000287908020 1127315124 /nfs/dbraw/zinc/31/51/24/1127315124.db2.gz VGFCTIDBUXHJLE-SFHVURJKSA-N 0 1 282.387 3.721 20 0 CHADMN Cc1ccc(C2(NCc3n[nH]c(C(C)(C)C)n3)CCC2)cc1 ZINC000646130382 1127320643 /nfs/dbraw/zinc/32/06/43/1127320643.db2.gz QZPBFFJYLXTJGC-UHFFFAOYSA-N 0 1 298.434 3.580 20 0 CHADMN COC[C@H]1CCN1Cc1ccc(F)c(-c2cccs2)c1 ZINC000573670612 1127323610 /nfs/dbraw/zinc/32/36/10/1127323610.db2.gz ABYTVHRTQIZCFS-CYBMUJFWSA-N 0 1 291.391 3.775 20 0 CHADMN COCc1ccc(CN2CC=C(C(C)(C)C)CC2)o1 ZINC000355195164 1127324065 /nfs/dbraw/zinc/32/40/65/1127324065.db2.gz WZUOQJNTOBTDED-UHFFFAOYSA-N 0 1 263.381 3.604 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCC[C@H](n2ccnc2)C1 ZINC000591869430 1127324654 /nfs/dbraw/zinc/32/46/54/1127324654.db2.gz VUESOYCOFKBIGL-OCCSQVGLSA-N 0 1 291.345 3.559 20 0 CHADMN CC[C@H](C)[C@H](C)N(C(=O)c1cccc2c[nH]nc21)C1CC1 ZINC000355202372 1127324684 /nfs/dbraw/zinc/32/46/84/1127324684.db2.gz CXSNLMZCWAUTCD-RYUDHWBXSA-N 0 1 285.391 3.602 20 0 CHADMN CSc1ccccc1CN(C)C/C=C\c1ccncc1 ZINC000355228385 1127327087 /nfs/dbraw/zinc/32/70/87/1127327087.db2.gz VCTHEPFEDWWCMQ-WAYWQWQTSA-N 0 1 284.428 3.949 20 0 CHADMN CCn1ccnc1CN1CCC[C@H]1CCC1CCCC1 ZINC000355229016 1127327096 /nfs/dbraw/zinc/32/70/96/1127327096.db2.gz XVWMTTSUNZYMGH-INIZCTEOSA-N 0 1 275.440 3.838 20 0 CHADMN CC(C)(C)c1cc(CN2CCC[C@@H]2C2CCC2)no1 ZINC000573736051 1127328433 /nfs/dbraw/zinc/32/84/33/1127328433.db2.gz UIDSMVCHPSVECM-CQSZACIVSA-N 0 1 262.397 3.737 20 0 CHADMN O=C([O-])CCC[N@@H+](CCC1CCCC1)Cc1ccccc1 ZINC000573809514 1127329418 /nfs/dbraw/zinc/32/94/18/1127329418.db2.gz DREKSTXIGVMNTP-UHFFFAOYSA-N 0 1 289.419 3.934 20 0 CHADMN COCCCC[C@H](NCc1ccco1)c1ccccc1 ZINC000355277945 1127330833 /nfs/dbraw/zinc/33/08/33/1127330833.db2.gz JMCITWIDZVYQPX-KRWDZBQOSA-N 0 1 273.376 3.927 20 0 CHADMN C[C@H](OC(=O)Cc1[nH]nc2ccccc21)c1ccccc1F ZINC000058317351 1127333959 /nfs/dbraw/zinc/33/39/59/1127333959.db2.gz NZQQIHOIMWDVAE-NSHDSACASA-N 0 1 298.317 3.549 20 0 CHADMN Oc1cc(F)cc(CN[C@H]2CCCc3ccc(F)cc32)c1 ZINC000355464867 1127343044 /nfs/dbraw/zinc/34/30/44/1127343044.db2.gz AHRFGICLTPGHIC-KRWDZBQOSA-N 0 1 289.325 3.838 20 0 CHADMN COc1ccccc1[C@@H]1CCCCN1Cc1cccnc1 ZINC000592328731 1127341953 /nfs/dbraw/zinc/34/19/53/1127341953.db2.gz DIVDEUBBGHAJST-KRWDZBQOSA-N 0 1 282.387 3.817 20 0 CHADMN CC(C)CCN1Cc2cccc(NC(=O)C3=CCC3)c2C1 ZINC000355501283 1127345608 /nfs/dbraw/zinc/34/56/08/1127345608.db2.gz WNLBGEXFSGTHED-UHFFFAOYSA-N 0 1 284.403 3.707 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000592442533 1127348636 /nfs/dbraw/zinc/34/86/36/1127348636.db2.gz GTYKEBQTYNIJPP-OLZOCXBDSA-N 0 1 299.418 3.734 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC[C@@]2(CCCOC2)C1 ZINC000355785769 1127363872 /nfs/dbraw/zinc/36/38/72/1127363872.db2.gz LFMCSRBBPKDCJH-SUMWQHHRSA-N 0 1 295.373 3.918 20 0 CHADMN CCSCC[C@@H](C)[N@@H+](C)Cc1cc(OC(C)C)ccn1 ZINC000593021103 1127365103 /nfs/dbraw/zinc/36/51/03/1127365103.db2.gz YOPIAQNSSQXFGY-CQSZACIVSA-N 0 1 296.480 3.832 20 0 CHADMN CCC[C@@]1(CO)CCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000288990981 1127369761 /nfs/dbraw/zinc/36/97/61/1127369761.db2.gz ZXMWPICOJWJSTK-MLGOLLRUSA-N 0 1 283.362 3.510 20 0 CHADMN CN(Cc1cscn1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000289046889 1127371869 /nfs/dbraw/zinc/37/18/69/1127371869.db2.gz QCKPNHRECATSFH-JGZJWPJOSA-N 0 1 278.343 3.696 20 0 CHADMN Cc1cccc2nc(CNC(=O)C[C@@H]3CCC[C@H](C)C3)[nH]c21 ZINC000498418101 1127372887 /nfs/dbraw/zinc/37/28/87/1127372887.db2.gz BPRXCTXIINEBOI-GXTWGEPZSA-N 0 1 299.418 3.704 20 0 CHADMN Cc1cnn(C)c1CN(C)Cc1cccc2ccccc21 ZINC000289200865 1127376617 /nfs/dbraw/zinc/37/66/17/1127376617.db2.gz VLIYPELQTAJYMY-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN O=C(Nc1csc2ccccc12)c1cn[nH]c1C1CC1 ZINC000356201346 1127378360 /nfs/dbraw/zinc/37/83/60/1127378360.db2.gz IJCSDQLJEWJGHB-UHFFFAOYSA-N 0 1 283.356 3.754 20 0 CHADMN CCC[C@@H](NCc1cnc([C@H](C)O)s1)c1ccccc1 ZINC000289337133 1127381585 /nfs/dbraw/zinc/38/15/85/1127381585.db2.gz VROTVKOGEJRSIK-SWLSCSKDSA-N 0 1 290.432 3.827 20 0 CHADMN Fc1ccc(CNc2ccnc3cc(F)ccc32)nc1 ZINC000357173387 1127387691 /nfs/dbraw/zinc/38/76/91/1127387691.db2.gz BCQIAMOQGVTUGZ-UHFFFAOYSA-N 0 1 271.270 3.520 20 0 CHADMN CCC1CCC(N(C)Cc2ncc(C)s2)CC1 ZINC000357319587 1127389495 /nfs/dbraw/zinc/38/94/95/1127389495.db2.gz LAIDUGOEODARRV-UHFFFAOYSA-N 0 1 252.427 3.852 20 0 CHADMN CC(C)OC(=O)CCN(C)[C@@H](C)c1ccccc1Cl ZINC000357657533 1127393242 /nfs/dbraw/zinc/39/32/42/1127393242.db2.gz ZRAOUAOVXYRUHD-LBPRGKRZSA-N 0 1 283.799 3.675 20 0 CHADMN CC[C@@H](NCc1c[nH]nc1C)c1cc(Cl)ccc1OC ZINC000358163173 1127405695 /nfs/dbraw/zinc/40/56/95/1127405695.db2.gz YTZSAJYBSGIKKO-CQSZACIVSA-N 0 1 293.798 3.621 20 0 CHADMN CC1CCC(NCc2nnc(C(C)(C)C)s2)CC1 ZINC000358269124 1127412359 /nfs/dbraw/zinc/41/23/59/1127412359.db2.gz TVAHCMVOENFSAE-UHFFFAOYSA-N 0 1 267.442 3.504 20 0 CHADMN CCC1CCC(NCc2nnc(C(C)C)s2)CC1 ZINC000358286967 1127412796 /nfs/dbraw/zinc/41/27/96/1127412796.db2.gz MDONOTYGULPLQC-UHFFFAOYSA-N 0 1 267.442 3.720 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccc3c(c2)COC3)o1 ZINC000358310602 1127414751 /nfs/dbraw/zinc/41/47/51/1127414751.db2.gz YGSFQNGXZFTHRQ-LBPRGKRZSA-N 0 1 271.360 3.723 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@@H](c1cccnc1)C1CC1 ZINC000358357492 1127417193 /nfs/dbraw/zinc/41/71/93/1127417193.db2.gz XABAGDJKKIDZCW-FZKQIMNGSA-N 0 1 282.387 3.892 20 0 CHADMN Cc1ccsc1[C@H](CO)N[C@@H](C)c1sc(C)nc1C ZINC000358407232 1127420017 /nfs/dbraw/zinc/42/00/17/1127420017.db2.gz TTYYEUXMERYRSX-JQWIXIFHSA-N 0 1 296.461 3.514 20 0 CHADMN CSc1ccc(CSCc2n[nH]c(C3CC3)n2)cc1 ZINC000358542144 1127426053 /nfs/dbraw/zinc/42/60/53/1127426053.db2.gz HWPRGMRTQZXVJI-UHFFFAOYSA-N 0 1 291.445 3.837 20 0 CHADMN COc1ccc([C@@H](C)N[C@H]2CCc3cccnc32)cc1F ZINC000226810138 1127426324 /nfs/dbraw/zinc/42/63/24/1127426324.db2.gz MKLGTQKIXRTIRU-ABAIWWIYSA-N 0 1 286.350 3.567 20 0 CHADMN CCOc1ccc([C@H](C)N[C@@H]2CCc3cccnc32)cc1 ZINC000226811206 1127426380 /nfs/dbraw/zinc/42/63/80/1127426380.db2.gz YVSCIXBDCRBLLM-SUMWQHHRSA-N 0 1 282.387 3.818 20 0 CHADMN CCc1ccc(C)nc1NCc1ncc(CSC)s1 ZINC000594744332 1127431104 /nfs/dbraw/zinc/43/11/04/1127431104.db2.gz YGQNWQPDIRMGFG-UHFFFAOYSA-N 0 1 293.461 3.884 20 0 CHADMN C[C@@H](c1ccccn1)N1CC(c2nc3ccccc3s2)C1 ZINC000358816439 1127435329 /nfs/dbraw/zinc/43/53/29/1127435329.db2.gz LAJKJGJICGEEKO-LBPRGKRZSA-N 0 1 295.411 3.852 20 0 CHADMN CC(C)c1cccc(CNC(=O)c2cccc3nc[nH]c32)c1 ZINC000358852964 1127436475 /nfs/dbraw/zinc/43/64/75/1127436475.db2.gz HPNHIVPCGTXODE-UHFFFAOYSA-N 0 1 293.370 3.616 20 0 CHADMN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CC[C@@H]2C[C@@H]21 ZINC000761082754 1127437514 /nfs/dbraw/zinc/43/75/14/1127437514.db2.gz ILDSWKHJQNPJQF-ZJOBFFGXSA-N 0 1 286.419 3.621 20 0 CHADMN Cc1ncc(CNCc2cccc(C(C)C)c2)s1 ZINC000358967265 1127441580 /nfs/dbraw/zinc/44/15/80/1127441580.db2.gz PTHOYQGESAFLNS-UHFFFAOYSA-N 0 1 260.406 3.865 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccn(C)n1 ZINC000359018359 1127444739 /nfs/dbraw/zinc/44/47/39/1127444739.db2.gz MOGXCVNOYGBUCG-JKSUJKDBSA-N 0 1 287.382 3.678 20 0 CHADMN C[C@@H]1CC[C@H](CN[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000359075492 1127448431 /nfs/dbraw/zinc/44/84/31/1127448431.db2.gz STDIUGHEZWCNMC-IJEWVQPXSA-N 0 1 269.392 3.525 20 0 CHADMN C[C@@H]1CC[C@@H](CN[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000359075491 1127448456 /nfs/dbraw/zinc/44/84/56/1127448456.db2.gz STDIUGHEZWCNMC-IIAWOOMASA-N 0 1 269.392 3.525 20 0 CHADMN CN(C)c1ncccc1CN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000359272694 1127455877 /nfs/dbraw/zinc/45/58/77/1127455877.db2.gz AUJKYORPPPVHJJ-QGZVFWFLSA-N 0 1 299.393 3.528 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1cccnc1)[C@H]2C ZINC000359307318 1127457989 /nfs/dbraw/zinc/45/79/89/1127457989.db2.gz YALSDMAIGNEHRR-KBPBESRZSA-N 0 1 282.387 3.598 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@@H](C)c1cncc(F)c1 ZINC000359351069 1127460172 /nfs/dbraw/zinc/46/01/72/1127460172.db2.gz XZOQAYLGEQBLIU-RYUDHWBXSA-N 0 1 273.355 3.590 20 0 CHADMN COc1cccc(CN(C)CCCSC)c1Cl ZINC000595471154 1127464272 /nfs/dbraw/zinc/46/42/72/1127464272.db2.gz XXEBZEWGWKSPJZ-UHFFFAOYSA-N 0 1 273.829 3.534 20 0 CHADMN c1ccc2sc(=NC[C@@H]3CCOc4ccccc43)[nH]c2c1 ZINC000595536553 1127464359 /nfs/dbraw/zinc/46/43/59/1127464359.db2.gz KOANMXUQCLTIHG-LBPRGKRZSA-N 0 1 296.395 3.696 20 0 CHADMN CCC1CCC(N(C)Cc2noc3c2CCCC3)CC1 ZINC000595564331 1127465717 /nfs/dbraw/zinc/46/57/17/1127465717.db2.gz RSXZIDNCYGZBLU-UHFFFAOYSA-N 0 1 276.424 3.954 20 0 CHADMN C[C@H]1CC[C@@]2(CCN(Cc3nc(-c4ccccc4)no3)C2)C1 ZINC000359552019 1127466978 /nfs/dbraw/zinc/46/69/78/1127466978.db2.gz FZRCZWCPFFOMRQ-KBXCAEBGSA-N 0 1 297.402 3.749 20 0 CHADMN Cc1coc2ccc(NC(=O)CN3[C@H](C)CC[C@H]3C)cc12 ZINC000359543796 1127467160 /nfs/dbraw/zinc/46/71/60/1127467160.db2.gz DPSTZRLWUYNRHO-CHWSQXEVSA-N 0 1 286.375 3.553 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1cccc(C)n1)[C@H]2C ZINC000359544201 1127467189 /nfs/dbraw/zinc/46/71/89/1127467189.db2.gz VTLGQQCAFZYZRH-CABCVRRESA-N 0 1 296.414 3.906 20 0 CHADMN OC[C@@H](NCc1ccc(C(F)F)cc1)c1cccc(F)c1 ZINC000359604918 1127469216 /nfs/dbraw/zinc/46/92/16/1127469216.db2.gz UBLKACNJBMTGIR-OAHLLOKOSA-N 0 1 295.304 3.587 20 0 CHADMN CC(C)c1nnc(CN[C@H](C)CCCC(F)(F)F)s1 ZINC000359615866 1127469866 /nfs/dbraw/zinc/46/98/66/1127469866.db2.gz ABSSXWCWISZRDQ-SECBINFHSA-N 0 1 295.374 3.872 20 0 CHADMN Cc1c(F)ccc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1F ZINC001231476796 1127473155 /nfs/dbraw/zinc/47/31/55/1127473155.db2.gz UPFFASLSUJMYLT-TXEJJXNPSA-N 0 1 287.300 3.750 20 0 CHADMN Cc1ccccc1CCNCc1occc1Br ZINC000227364080 1127473194 /nfs/dbraw/zinc/47/31/94/1127473194.db2.gz HCPOMCIPVFPBBI-UHFFFAOYSA-N 0 1 294.192 3.683 20 0 CHADMN C[C@H](NCc1cccc(F)c1)c1ccc(Cl)cn1 ZINC000359712267 1127474801 /nfs/dbraw/zinc/47/48/01/1127474801.db2.gz GQOGIQWWAPWLKA-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN CS[C@H]1CCC[C@H]([NH2+]Cc2ccc([O-])c(Cl)c2)C1 ZINC000227376952 1127475245 /nfs/dbraw/zinc/47/52/45/1127475245.db2.gz OZXSFBSGEZHVAV-RYUDHWBXSA-N 0 1 285.840 3.809 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H](CC(C)C)c2ccccc2)c1C ZINC000359860417 1127480891 /nfs/dbraw/zinc/48/08/91/1127480891.db2.gz UXCIPDXSEABMOW-OAHLLOKOSA-N 0 1 285.391 3.544 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H](C)c2cccc3ccccc32)c1C ZINC000359878372 1127481707 /nfs/dbraw/zinc/48/17/07/1127481707.db2.gz PEOLOZMDPSSDEN-CYBMUJFWSA-N 0 1 293.370 3.671 20 0 CHADMN Cc1ccc(CN2CCSC3(CCCCC3)C2)c(C)n1 ZINC000359905351 1127482749 /nfs/dbraw/zinc/48/27/49/1127482749.db2.gz UBOJBGNUKDTKMY-UHFFFAOYSA-N 0 1 290.476 3.950 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H](CC(C)C)c2cccs2)c1C ZINC000359923410 1127483669 /nfs/dbraw/zinc/48/36/69/1127483669.db2.gz WTFFVEDORARNQM-GFCCVEGCSA-N 0 1 291.420 3.605 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CC(C3CCCCC3)C2)c1 ZINC000359934465 1127483832 /nfs/dbraw/zinc/48/38/32/1127483832.db2.gz SIQFCFHYZCZERU-UHFFFAOYSA-N 0 1 297.402 3.524 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N1CCOCC2(CC2)C1 ZINC000360087322 1127489321 /nfs/dbraw/zinc/48/93/21/1127489321.db2.gz GTSMSWFGTAFPIK-LBPRGKRZSA-N 0 1 265.784 3.513 20 0 CHADMN CSc1ccc(C(=O)Nc2cc3cn[nH]c3cc2C)cc1 ZINC000360433102 1127498657 /nfs/dbraw/zinc/49/86/57/1127498657.db2.gz FWLLDENKENZHSQ-UHFFFAOYSA-N 0 1 297.383 3.846 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCCC[C@@H](C)C1 ZINC000360604614 1127503001 /nfs/dbraw/zinc/50/30/01/1127503001.db2.gz LGYJNXULAMYCJJ-VXGBXAGGSA-N 0 1 291.420 3.981 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)N1CCCC[C@@H](C)C1 ZINC000360604614 1127503004 /nfs/dbraw/zinc/50/30/04/1127503004.db2.gz LGYJNXULAMYCJJ-VXGBXAGGSA-N 0 1 291.420 3.981 20 0 CHADMN Cc1cnc(CN2CC[C@H](C)C3(CCCCC3)C2)nc1 ZINC000360628304 1127503593 /nfs/dbraw/zinc/50/35/93/1127503593.db2.gz OFWVKBXMKNCKOR-HNNXBMFYSA-N 0 1 273.424 3.577 20 0 CHADMN Cc1sc(CNCc2ccco2)cc1Br ZINC000227760581 1127504381 /nfs/dbraw/zinc/50/43/81/1127504381.db2.gz VGRMCINUOUZEJC-UHFFFAOYSA-N 0 1 286.194 3.702 20 0 CHADMN CCc1nc(C)c([C@@H](C)NCc2c(CC)noc2C)s1 ZINC000293569655 1127505998 /nfs/dbraw/zinc/50/59/98/1127505998.db2.gz BFAHEEHLHHJSRG-SECBINFHSA-N 0 1 293.436 3.724 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)c1 ZINC000360688671 1127506297 /nfs/dbraw/zinc/50/62/97/1127506297.db2.gz KFGDIOHNHYJYGF-JGGQBBKZSA-N 0 1 297.402 3.522 20 0 CHADMN Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1F ZINC000293594583 1127507885 /nfs/dbraw/zinc/50/78/85/1127507885.db2.gz IRSARRBKJUDLMN-KRWDZBQOSA-N 0 1 289.394 3.525 20 0 CHADMN CCc1noc(C)c1CN[C@H](CC)c1cccc(F)c1 ZINC000293674590 1127512430 /nfs/dbraw/zinc/51/24/30/1127512430.db2.gz JTLZCFDFKWESBH-OAHLLOKOSA-N 0 1 276.355 3.925 20 0 CHADMN CCOc1cccc(CNCc2cc(OC)ccc2F)c1 ZINC000293686844 1127513131 /nfs/dbraw/zinc/51/31/31/1127513131.db2.gz BAODKPXNECDDSD-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN CCCc1cccc(CN(C)Cc2cccc(C)n2)c1 ZINC000360884057 1127518025 /nfs/dbraw/zinc/51/80/25/1127518025.db2.gz NAWQQJWQLCYKSZ-UHFFFAOYSA-N 0 1 268.404 3.975 20 0 CHADMN Cc1nnsc1CN[C@@H]1CCCc2c(Cl)cccc21 ZINC000293765500 1127518872 /nfs/dbraw/zinc/51/88/72/1127518872.db2.gz SINYUOWURAQKJS-CYBMUJFWSA-N 0 1 293.823 3.667 20 0 CHADMN Cc1nc(C(C)C)ccc1CN[C@@H](C)c1cccnc1 ZINC000293811578 1127522067 /nfs/dbraw/zinc/52/20/67/1127522067.db2.gz OGEFCAIHGNYWMZ-ZDUSSCGKSA-N 0 1 269.392 3.759 20 0 CHADMN Cc1ccc(F)cc1CN1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361023292 1127530387 /nfs/dbraw/zinc/53/03/87/1127530387.db2.gz UNQYBOWSOAWADR-UHFFFAOYSA-N 0 1 297.373 3.887 20 0 CHADMN C[C@@H](C[S@](C)=O)N(C)Cc1cccc(C2CCCC2)c1 ZINC000597083802 1127527347 /nfs/dbraw/zinc/52/73/47/1127527347.db2.gz ULJNAVQGTISVGM-XOBRGWDASA-N 0 1 293.476 3.543 20 0 CHADMN c1csc(-c2cnc(CN3CCC[C@H]3C3CC3)o2)c1 ZINC000597072265 1127528459 /nfs/dbraw/zinc/52/84/59/1127528459.db2.gz DSUONPZTNSGKCS-LBPRGKRZSA-N 0 1 274.389 3.778 20 0 CHADMN C[C@H]1c2cccn2CCN1CCCc1ccsc1 ZINC000361021715 1127531060 /nfs/dbraw/zinc/53/10/60/1127531060.db2.gz XOKMSRDSWBSFPC-ZDUSSCGKSA-N 0 1 260.406 3.559 20 0 CHADMN Cc1ccc(CN2Cc3ccc(O)cc3C3(CC3)C2)s1 ZINC000361026669 1127531703 /nfs/dbraw/zinc/53/17/03/1127531703.db2.gz UDUNZZRGKFODOH-UHFFFAOYSA-N 0 1 285.412 3.810 20 0 CHADMN CCCN(Cc1ccco1)[C@@H]1CCCc2cccnc21 ZINC000361038355 1127532716 /nfs/dbraw/zinc/53/27/16/1127532716.db2.gz PNAXUFQZKJBJLI-MRXNPFEDSA-N 0 1 270.376 3.964 20 0 CHADMN CC(C)c1cnc(CN2CCCC[C@@H](C)C2)s1 ZINC000361053234 1127533655 /nfs/dbraw/zinc/53/36/55/1127533655.db2.gz LMKAZYQXECDVNT-GFCCVEGCSA-N 0 1 252.427 3.889 20 0 CHADMN CC(C)N(Cc1cnc(C2CCCC2)s1)[C@@H]1CCOC1 ZINC000361056035 1127534030 /nfs/dbraw/zinc/53/40/30/1127534030.db2.gz YPJHEYLGLKXTAI-CQSZACIVSA-N 0 1 294.464 3.800 20 0 CHADMN COc1cncc(CSc2nc3ccc(C)cc3[nH]2)c1 ZINC000361085547 1127536182 /nfs/dbraw/zinc/53/61/82/1127536182.db2.gz IWUNSJZKOZZEBR-UHFFFAOYSA-N 0 1 285.372 3.567 20 0 CHADMN c1ccc([C@@H]2N(Cc3ccncc3)CC23CCC3)cc1 ZINC000293989613 1127540269 /nfs/dbraw/zinc/54/02/69/1127540269.db2.gz RWXGYHGSMXEDNX-KRWDZBQOSA-N 0 1 264.372 3.809 20 0 CHADMN Cc1ccoc1C[N@@H+]1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000361138350 1127541126 /nfs/dbraw/zinc/54/11/26/1127541126.db2.gz AUMLLKLLNRXIFV-WDEREUQCSA-N 0 1 261.287 3.751 20 0 CHADMN Cc1ccoc1CN1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000361138350 1127541129 /nfs/dbraw/zinc/54/11/29/1127541129.db2.gz AUMLLKLLNRXIFV-WDEREUQCSA-N 0 1 261.287 3.751 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1cccc(O)c1 ZINC000361144652 1127542267 /nfs/dbraw/zinc/54/22/67/1127542267.db2.gz ZCDIAIYTITXBMT-MFKMUULPSA-N 0 1 273.298 3.555 20 0 CHADMN COCc1cccc(CN2Cc3ccc(C)cc3C2)c1 ZINC000361109912 1127538455 /nfs/dbraw/zinc/53/84/55/1127538455.db2.gz OBIABBUGDGQSQA-UHFFFAOYSA-N 0 1 267.372 3.657 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1cc3ccccc3[nH]c1=O)C2 ZINC000361113118 1127538722 /nfs/dbraw/zinc/53/87/22/1127538722.db2.gz KKRMZLNGJHKZIY-UHFFFAOYSA-N 0 1 290.366 3.765 20 0 CHADMN CCC[C@@H](N[C@H](C)c1cccc(O)c1)c1ccccn1 ZINC000669614484 1127545858 /nfs/dbraw/zinc/54/58/58/1127545858.db2.gz HUVQBNXVBICIGK-CXAGYDPISA-N 0 1 270.376 3.979 20 0 CHADMN COC1(C[C@H](C)Nc2cc3c(cn2)CCCC3)CCC1 ZINC000361189599 1127546086 /nfs/dbraw/zinc/54/60/86/1127546086.db2.gz NPMLVEBWCBWUIC-ZDUSSCGKSA-N 0 1 274.408 3.720 20 0 CHADMN O=C(N[C@H]1CCCCC12CCCC2)c1cccc2nc[nH]c21 ZINC000361202221 1127546869 /nfs/dbraw/zinc/54/68/69/1127546869.db2.gz USUDWWPCPHTLAU-HNNXBMFYSA-N 0 1 297.402 3.796 20 0 CHADMN CN(C)[C@H](CNc1cccc(F)n1)c1ccccc1Cl ZINC000060569664 1127548175 /nfs/dbraw/zinc/54/81/75/1127548175.db2.gz VMSLCNZXNJMJOY-CYBMUJFWSA-N 0 1 293.773 3.589 20 0 CHADMN C[C@H]1CCCCCN1Cc1cncc(C(F)(F)F)c1 ZINC000361281199 1127552939 /nfs/dbraw/zinc/55/29/39/1127552939.db2.gz MULXUCNIWYYORZ-NSHDSACASA-N 0 1 272.314 3.865 20 0 CHADMN c1ccc([C@@H]2C[C@@H]2N2CCO[C@H](c3ccccc3)C2)cc1 ZINC000361298182 1127554639 /nfs/dbraw/zinc/55/46/39/1127554639.db2.gz WAZFGAQKJPDWER-FHWLQOOXSA-N 0 1 279.383 3.616 20 0 CHADMN C[C@H]1CCN(Cc2cncc(C(F)(F)F)c2)C[C@H]1C ZINC000361348207 1127558599 /nfs/dbraw/zinc/55/85/99/1127558599.db2.gz INVHSMVQNDYBPX-WDEREUQCSA-N 0 1 272.314 3.578 20 0 CHADMN COC[C@H](CC(C)C)NCc1nc(C(C)C)c(C)s1 ZINC000361342430 1127558607 /nfs/dbraw/zinc/55/86/07/1127558607.db2.gz VOBLCVFWBQMEJO-ZDUSSCGKSA-N 0 1 284.469 3.726 20 0 CHADMN CC[C@H](NCc1occc1C)c1ccc(C(=O)OC)cc1 ZINC000294324219 1127564966 /nfs/dbraw/zinc/56/49/66/1127564966.db2.gz OOFLQKVILBZLGX-HNNXBMFYSA-N 0 1 287.359 3.616 20 0 CHADMN Cc1ccncc1CN(C)C[C@@H]1CCC2(CCCCC2)O1 ZINC000361422457 1127562166 /nfs/dbraw/zinc/56/21/66/1127562166.db2.gz LXYPMYZJHNOODV-KRWDZBQOSA-N 0 1 288.435 3.704 20 0 CHADMN CCC[C@H](NCc1cnccc1OC)c1ccsc1 ZINC000294279602 1127562352 /nfs/dbraw/zinc/56/23/52/1127562352.db2.gz MHVKGOVQQLDIEI-AWEZNQCLSA-N 0 1 276.405 3.783 20 0 CHADMN CCN(Cc1nnc(-c2ccccc2)s1)CC1CCC1 ZINC000361485796 1127566691 /nfs/dbraw/zinc/56/66/91/1127566691.db2.gz PCNPPXGOWTYHIO-UHFFFAOYSA-N 0 1 287.432 3.827 20 0 CHADMN CN(CCc1cccs1)Cc1cc(Cl)cnc1F ZINC001231991766 1127569190 /nfs/dbraw/zinc/56/91/90/1127569190.db2.gz GBAWENSJIXSSAN-UHFFFAOYSA-N 0 1 284.787 3.610 20 0 CHADMN C[C@H]1CC[C@]2(CCN(Cc3nccn3-c3ccccc3)C2)C1 ZINC000361587390 1127574903 /nfs/dbraw/zinc/57/49/03/1127574903.db2.gz OXHUSMIFWZLCSC-LPHOPBHVSA-N 0 1 295.430 3.884 20 0 CHADMN C[C@H]1CCN(Cc2nccn2-c2ccccc2)CC12CCC2 ZINC000361592940 1127575509 /nfs/dbraw/zinc/57/55/09/1127575509.db2.gz GAXXSDMSNJSZKL-INIZCTEOSA-N 0 1 295.430 3.884 20 0 CHADMN CC(C)C[C@H](N)c1noc(Cc2ccc3ccccc3c2)n1 ZINC000361602409 1127576645 /nfs/dbraw/zinc/57/66/45/1127576645.db2.gz QTJSTYYBSGCZCG-INIZCTEOSA-N 0 1 295.386 3.860 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCCc3ccc(C)cc32)nn1C ZINC000294420537 1127573010 /nfs/dbraw/zinc/57/30/10/1127573010.db2.gz UHJOKZYTTZJJHG-WMLDXEAASA-N 0 1 283.419 3.765 20 0 CHADMN CO[C@H](C)c1nc(CNCCC2CCCCC2)cs1 ZINC000361584607 1127574469 /nfs/dbraw/zinc/57/44/69/1127574469.db2.gz OCBRLDKSQSLETN-GFCCVEGCSA-N 0 1 282.453 3.911 20 0 CHADMN C[C@@H]1CCSCCN1Cc1ccsc1Cl ZINC000361645685 1127578724 /nfs/dbraw/zinc/57/87/24/1127578724.db2.gz FCZYSEMGXGUULR-SECBINFHSA-N 0 1 261.843 3.729 20 0 CHADMN CCS[C@@H](C)c1noc(CN2CCC[C@H]2CC(C)C)n1 ZINC000361646868 1127578876 /nfs/dbraw/zinc/57/88/76/1127578876.db2.gz WOGZEPIDHKTXMT-STQMWFEESA-N 0 1 297.468 3.894 20 0 CHADMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(C)ns2)C1 ZINC000602481577 1127583864 /nfs/dbraw/zinc/58/38/64/1127583864.db2.gz GMTJZFNIHLWWTE-VXGBXAGGSA-N 0 1 270.467 3.558 20 0 CHADMN Cc1nc(C)c(CN2CCc3cc(C)ccc3C2)s1 ZINC000361733951 1127585627 /nfs/dbraw/zinc/58/56/27/1127585627.db2.gz OKNKHFIORDVSOB-UHFFFAOYSA-N 0 1 272.417 3.627 20 0 CHADMN COc1ccc([C@H](C)[N@@H+](C)Cc2ccncc2C)cc1 ZINC000294610338 1127585900 /nfs/dbraw/zinc/58/59/00/1127585900.db2.gz WGPKMLHEWGUGPZ-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN C[C@H](CN1CC(C)(C)[C@@H]1c1nccn1C)c1ccccc1 ZINC000294795522 1127600060 /nfs/dbraw/zinc/60/00/60/1127600060.db2.gz MIJRZSICBLNMLS-ZBFHGGJFSA-N 0 1 283.419 3.607 20 0 CHADMN c1coc(-c2ncc(CNc3ccc4c(n3)CCC4)s2)c1 ZINC000294767374 1127598162 /nfs/dbraw/zinc/59/81/62/1127598162.db2.gz FPWBDCDGHIKHTL-UHFFFAOYSA-N 0 1 297.383 3.899 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(F)(F)F)C[C@H]2C)o1 ZINC000294912611 1127608008 /nfs/dbraw/zinc/60/80/08/1127608008.db2.gz FCDHZHVUGRFZOC-KOLCDFICSA-N 0 1 261.287 3.751 20 0 CHADMN CC(C)c1nc([C@@H](C)NCCC(C)(F)F)cs1 ZINC000294934738 1127609314 /nfs/dbraw/zinc/60/93/14/1127609314.db2.gz HREXOXRYAVURAK-SECBINFHSA-N 0 1 262.369 3.962 20 0 CHADMN CC[C@H](NCc1cccnc1N)c1ccc(Cl)s1 ZINC000294978641 1127611473 /nfs/dbraw/zinc/61/14/73/1127611473.db2.gz LTGQXESVMKRWPP-JTQLQIEISA-N 0 1 281.812 3.620 20 0 CHADMN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)Cc1cnns1 ZINC000295032198 1127616064 /nfs/dbraw/zinc/61/60/64/1127616064.db2.gz NDUKGAUUFGFCQB-GHMZBOCLSA-N 0 1 295.839 3.816 20 0 CHADMN CC(C)(C)C(=O)CCCC(=O)Nc1cccc(Cl)c1O ZINC000295022794 1127614964 /nfs/dbraw/zinc/61/49/64/1127614964.db2.gz HPGFLOVSZFIHQI-UHFFFAOYSA-N 0 1 297.782 3.770 20 0 CHADMN Fc1cccc(CNC/C=C\c2ccccc2)c1F ZINC000602909412 1127619844 /nfs/dbraw/zinc/61/98/44/1127619844.db2.gz UILPXYLVZZZKIF-YVMONPNESA-N 0 1 259.299 3.768 20 0 CHADMN Cc1ccc(CNCc2ccnc(C(F)(F)F)c2)cc1F ZINC000295118509 1127621367 /nfs/dbraw/zinc/62/13/67/1127621367.db2.gz WFDAXNASNAJZIV-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN CCC1(CC)CN(Cc2nc(C)c(C)s2)CCS1 ZINC000362245270 1127622924 /nfs/dbraw/zinc/62/29/24/1127622924.db2.gz IUYYJEOZEBOTTN-UHFFFAOYSA-N 0 1 284.494 3.868 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc3c(c1)CCO3)CO2 ZINC000362293045 1127625524 /nfs/dbraw/zinc/62/55/24/1127625524.db2.gz HIYWXVUKOFYPFF-GUYCJALGSA-N 0 1 295.382 3.714 20 0 CHADMN FC(F)CSc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000603028351 1127627329 /nfs/dbraw/zinc/62/73/29/1127627329.db2.gz LDZTZDBOWXLHEI-UHFFFAOYSA-N 0 1 282.237 3.939 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@H](C)n3ccnc31)[C@@H](C)C2 ZINC000295231026 1127629013 /nfs/dbraw/zinc/62/90/13/1127629013.db2.gz NYDHZUCUBOSVBX-WRFANHODSA-N 0 1 281.403 3.720 20 0 CHADMN COc1cccc(C2=CCN(Cc3cccnc3C)CC2)c1 ZINC000362388290 1127632574 /nfs/dbraw/zinc/63/25/74/1127632574.db2.gz CXKPGETXJRVUFP-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN Fc1cc(CN2CCC[C@H](C3CCCC3)C2)c(F)cn1 ZINC001308981981 1127633241 /nfs/dbraw/zinc/63/32/41/1127633241.db2.gz QAJWVFHDEVKUPN-ZDUSSCGKSA-N 0 1 280.362 3.762 20 0 CHADMN Cc1cnccc1CN[C@@H]1CCCOc2c(F)cccc21 ZINC000295345003 1127636328 /nfs/dbraw/zinc/63/63/28/1127636328.db2.gz IDIHSJNNNXRJNR-MRXNPFEDSA-N 0 1 286.350 3.533 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cc[nH]c3C3CCC3)cc2[nH]1 ZINC000362478644 1127638970 /nfs/dbraw/zinc/63/89/70/1127638970.db2.gz CXYXZPUEFLXEFJ-UHFFFAOYSA-N 0 1 294.358 3.719 20 0 CHADMN C[C@H]1CCc2ccccc2[C@H]1NCc1cc(F)ncc1F ZINC000295393554 1127640422 /nfs/dbraw/zinc/64/04/22/1127640422.db2.gz LNJJPYWMHRRYQW-GTNSWQLSSA-N 0 1 288.341 3.773 20 0 CHADMN COc1cccc(CNCCO[C@@H]2CCCC[C@H]2C)c1F ZINC000669679889 1127645883 /nfs/dbraw/zinc/64/58/83/1127645883.db2.gz QDOOFGADOHQMKB-UKRRQHHQSA-N 0 1 295.398 3.519 20 0 CHADMN C[C@@H](N[C@@H](C)c1ncc(Br)s1)C1(C)CC1 ZINC000380140218 1127646608 /nfs/dbraw/zinc/64/66/08/1127646608.db2.gz VLCBVVXOGQNXAI-JGVFFNPUSA-N 0 1 289.242 3.745 20 0 CHADMN CCC[C@H](CC1CCCCC1)C(=O)NCc1cc(C)[nH]n1 ZINC000603487951 1127653059 /nfs/dbraw/zinc/65/30/59/1127653059.db2.gz KSWSLUPCWJDEDZ-OAHLLOKOSA-N 0 1 291.439 3.721 20 0 CHADMN C[C@H]1Oc2ccccc2[C@H]1NCc1ccc(C(C)(C)O)cc1 ZINC000295696422 1127650405 /nfs/dbraw/zinc/65/04/05/1127650405.db2.gz MCEFPAXEIVYPSF-ACJLOTCBSA-N 0 1 297.398 3.526 20 0 CHADMN COc1ncccc1CN(Cc1ccc(C)s1)C(C)C ZINC000362915640 1127653614 /nfs/dbraw/zinc/65/36/14/1127653614.db2.gz CCBXLARNULSPFB-UHFFFAOYSA-N 0 1 290.432 3.871 20 0 CHADMN CCn1cc([C@H](C)N[C@@H](C)c2csc(C)c2)cn1 ZINC000295817083 1127654156 /nfs/dbraw/zinc/65/41/56/1127654156.db2.gz BMYOQQQEOOLPOV-RYUDHWBXSA-N 0 1 263.410 3.685 20 0 CHADMN Cc1cc(CN[C@H]2CCc3c2ccc(Cl)c3Cl)[nH]n1 ZINC000603515129 1127656045 /nfs/dbraw/zinc/65/60/45/1127656045.db2.gz OUXFACWXVUUXGF-ZDUSSCGKSA-N 0 1 296.201 3.802 20 0 CHADMN C[C@@](O)(CN1CC2(CCC2)[C@H]1c1ccccc1)C(F)(F)F ZINC000295915060 1127657081 /nfs/dbraw/zinc/65/70/81/1127657081.db2.gz HEKQFVGISDIEFM-ZIAGYGMSSA-N 0 1 299.336 3.527 20 0 CHADMN C[C@]1(F)CCCN(Cc2ccc3ncccc3c2)C1 ZINC000295944816 1127657852 /nfs/dbraw/zinc/65/78/52/1127657852.db2.gz GOXKUNQLXYFPCP-INIZCTEOSA-N 0 1 258.340 3.559 20 0 CHADMN Fc1cc(F)c2c(c1)[C@H](NCc1cncs1)CCC2 ZINC000295976169 1127658893 /nfs/dbraw/zinc/65/88/93/1127658893.db2.gz JBHBUMYTJLBYOJ-CQSZACIVSA-N 0 1 280.343 3.589 20 0 CHADMN CCn1ccnc1[C@H](C)NCCSc1ccc(C)cc1 ZINC000296001725 1127659502 /nfs/dbraw/zinc/65/95/02/1127659502.db2.gz OJNRYTQTPUSPGV-AWEZNQCLSA-N 0 1 289.448 3.654 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000087591754 1127663520 /nfs/dbraw/zinc/66/35/20/1127663520.db2.gz DGSOHFSAYQMWTI-LLVKDONJSA-N 0 1 283.799 3.834 20 0 CHADMN c1cc(-c2cc(-c3nc(C4CCCCC4)no3)[nH]n2)co1 ZINC000603633524 1127663640 /nfs/dbraw/zinc/66/36/40/1127663640.db2.gz CASACLFAOOIPIX-UHFFFAOYSA-N 0 1 284.319 3.767 20 0 CHADMN CO[C@H]1CCN([C@H](C)c2nc3ccccc3o2)CC1(C)C ZINC000296171936 1127664566 /nfs/dbraw/zinc/66/45/66/1127664566.db2.gz UYZNVMFKSWCDBC-DOMZBBRYSA-N 0 1 288.391 3.636 20 0 CHADMN CCOCCN[C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000296155146 1127664633 /nfs/dbraw/zinc/66/46/33/1127664633.db2.gz WYOINHOALQSKSF-CQSZACIVSA-N 0 1 286.375 3.561 20 0 CHADMN CC(C)[C@@H]1C[C@@H](NCc2n[nH]c(C3CC3)n2)c2ccccc21 ZINC000296286331 1127667141 /nfs/dbraw/zinc/66/71/41/1127667141.db2.gz FGCUSCJSROPBGM-JKSUJKDBSA-N 0 1 296.418 3.656 20 0 CHADMN CC(C)[C@H]1C[C@@H](NCc2n[nH]c(C3CC3)n2)c2ccccc21 ZINC000296286328 1127667181 /nfs/dbraw/zinc/66/71/81/1127667181.db2.gz FGCUSCJSROPBGM-HZPDHXFCSA-N 0 1 296.418 3.656 20 0 CHADMN O[C@H](CN1CC2(CCC2)[C@@H]1c1ccccc1)CC(F)(F)F ZINC000296256319 1127667415 /nfs/dbraw/zinc/66/74/15/1127667415.db2.gz QHYDTMXORQZZOH-KBPBESRZSA-N 0 1 299.336 3.527 20 0 CHADMN CSC[C@H]1CCCN1Cc1nc2cc(C)ccc2s1 ZINC000599321141 1127667656 /nfs/dbraw/zinc/66/76/56/1127667656.db2.gz UIWFNHHOCPTEMM-GFCCVEGCSA-N 0 1 292.473 3.932 20 0 CHADMN COc1ncc(CN[C@@H](C)c2csc(C)c2)cc1Cl ZINC000296300054 1127668042 /nfs/dbraw/zinc/66/80/42/1127668042.db2.gz FVJWYQOVWKQCRH-JTQLQIEISA-N 0 1 296.823 3.964 20 0 CHADMN CC[C@@H](N[C@@H](CCO)c1ccco1)c1ccsc1 ZINC000296545468 1127675530 /nfs/dbraw/zinc/67/55/30/1127675530.db2.gz SOFJLHOPOZUQFT-OLZOCXBDSA-N 0 1 265.378 3.506 20 0 CHADMN CC(C)CC[C@H](NCc1n[nH]c(C(C)C)n1)c1ccoc1 ZINC000296586274 1127676973 /nfs/dbraw/zinc/67/69/73/1127676973.db2.gz USJARSBNKQKLGR-AWEZNQCLSA-N 0 1 290.411 3.788 20 0 CHADMN CC(C)c1nc(CN[C@@H]2CCC(C)(C)c3ccccc32)n[nH]1 ZINC000296611978 1127678527 /nfs/dbraw/zinc/67/85/27/1127678527.db2.gz WJSWAYGIVPCPHH-OAHLLOKOSA-N 0 1 298.434 3.830 20 0 CHADMN C[C@@H]1CN(Cc2ccsc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599583081 1127681376 /nfs/dbraw/zinc/68/13/76/1127681376.db2.gz QFLOURXKRPQJKD-TZMCWYRMSA-N 0 1 295.448 3.548 20 0 CHADMN CCCc1cc(C(=O)N2CCc3ccccc3[C@H]2CC)n[nH]1 ZINC000603922119 1127682891 /nfs/dbraw/zinc/68/28/91/1127682891.db2.gz JSAMOAKLGZXMHW-QGZVFWFLSA-N 0 1 297.402 3.512 20 0 CHADMN CC[C@H](N[C@H](C)c1n[nH]c(C(C)C)n1)c1ccsc1 ZINC000296642000 1127680280 /nfs/dbraw/zinc/68/02/80/1127680280.db2.gz CXBBVVHTOQMSPB-PWSUYJOCSA-N 0 1 278.425 3.792 20 0 CHADMN Cc1cnc(C[N@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)o1 ZINC000296875021 1127685112 /nfs/dbraw/zinc/68/51/12/1127685112.db2.gz UUBAFWCMKHQSBE-IVMMDQJWSA-N 0 1 270.376 3.750 20 0 CHADMN COC(=O)[C@@H]1C[C@@H](C)N(Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000599688595 1127687275 /nfs/dbraw/zinc/68/72/75/1127687275.db2.gz FPKHLEURKASFIA-DABQJJPHSA-N 0 1 295.810 3.502 20 0 CHADMN CC(C)c1nnc(CN(C)[C@@H]2CCC[C@H]2c2ccccc2)o1 ZINC000297421823 1127696146 /nfs/dbraw/zinc/69/61/46/1127696146.db2.gz DRQYZUHQUFSLCO-JKSUJKDBSA-N 0 1 299.418 3.961 20 0 CHADMN Cc1noc([C@@H](C)N[C@H](CCC(C)C)C(C)(C)C)n1 ZINC000604413817 1127704706 /nfs/dbraw/zinc/70/47/06/1127704706.db2.gz IXQLNTSHKGMFCD-DGCLKSJQSA-N 0 1 267.417 3.880 20 0 CHADMN Cc1n[nH]c(C(=O)NC(C)(C)c2ccc(C(C)C)cc2)c1C ZINC000604326901 1127701417 /nfs/dbraw/zinc/70/14/17/1127701417.db2.gz XEIILDQZWYSAJF-UHFFFAOYSA-N 0 1 299.418 3.815 20 0 CHADMN CC[C@H](NCc1cn2cc(C)ccc2n1)c1ccsc1 ZINC000297801325 1127708855 /nfs/dbraw/zinc/70/88/55/1127708855.db2.gz QJAJOZQZVCNMKY-HNNXBMFYSA-N 0 1 285.416 3.945 20 0 CHADMN CCC[C@H](N)c1cc(-c2ccc(OCC)cc2)no1 ZINC000229873957 1127712140 /nfs/dbraw/zinc/71/21/40/1127712140.db2.gz SIXYHVANCFUBOZ-ZDUSSCGKSA-N 0 1 260.337 3.540 20 0 CHADMN CCCc1cc(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)n[nH]1 ZINC000604749388 1127713690 /nfs/dbraw/zinc/71/36/90/1127713690.db2.gz AURDUSXFVPFWEI-CYBMUJFWSA-N 0 1 291.439 3.651 20 0 CHADMN CCOC1(C)CCN([C@@H](C)c2c(F)cccc2F)CC1 ZINC000298367426 1127720918 /nfs/dbraw/zinc/72/09/18/1127720918.db2.gz UTJKCQFGGSMYRU-LBPRGKRZSA-N 0 1 283.362 3.917 20 0 CHADMN CCc1nc(S[C@@H](C)c2ccccc2Cl)n[nH]1 ZINC000298538857 1127725831 /nfs/dbraw/zinc/72/58/31/1127725831.db2.gz JSGIACNXXDNQBN-QMMMGPOBSA-N 0 1 267.785 3.874 20 0 CHADMN CCc1n[nH]c(S[C@@H](C)c2ccccc2Cl)n1 ZINC000298538857 1127725832 /nfs/dbraw/zinc/72/58/32/1127725832.db2.gz JSGIACNXXDNQBN-QMMMGPOBSA-N 0 1 267.785 3.874 20 0 CHADMN Cn1ccnc1[C@@H](NC[C@H]1CC=CCC1)c1ccc(F)cc1 ZINC000298414166 1127722743 /nfs/dbraw/zinc/72/27/43/1127722743.db2.gz NWAYPJPSLFABQL-YOEHRIQHSA-N 0 1 299.393 3.595 20 0 CHADMN Cc1cccc(CN(C)Cc2cn(C)nc2C(F)F)c1C ZINC000298406792 1127722958 /nfs/dbraw/zinc/72/29/58/1127722958.db2.gz WWJBEERFPXQRSO-UHFFFAOYSA-N 0 1 293.361 3.607 20 0 CHADMN O=C(Nc1ccccc1F)[C@@H]1CCCCN1C1CCCC1 ZINC000365240047 1127724127 /nfs/dbraw/zinc/72/41/27/1127724127.db2.gz DJJURRIFOOHPAQ-INIZCTEOSA-N 0 1 290.382 3.561 20 0 CHADMN Brc1ccc(CN2CC[C@H](c3ccco3)C2)o1 ZINC000365270180 1127725508 /nfs/dbraw/zinc/72/55/08/1127725508.db2.gz ULPPPHMZBRCGGP-JTQLQIEISA-N 0 1 296.164 3.625 20 0 CHADMN COc1cc(C)nc(CN[C@@H](c2ccccc2C)C2CC2)c1 ZINC000298849196 1127734739 /nfs/dbraw/zinc/73/47/39/1127734739.db2.gz IMSTWUBRSHZNGQ-LJQANCHMSA-N 0 1 296.414 3.948 20 0 CHADMN Fc1ccnc(CN2CCC(c3cccs3)CC2)c1 ZINC001232495901 1127732036 /nfs/dbraw/zinc/73/20/36/1127732036.db2.gz JEVFODDCHSWDJL-UHFFFAOYSA-N 0 1 276.380 3.662 20 0 CHADMN Cc1ccc(CCSc2nc(-c3ccccn3)n[nH]2)cc1 ZINC000605449027 1127736879 /nfs/dbraw/zinc/73/68/79/1127736879.db2.gz IRTFQNAKEBMIPP-UHFFFAOYSA-N 0 1 296.399 3.510 20 0 CHADMN C[C@@]1(c2ccccc2)CCCN(Cn2cccnc2=S)C1 ZINC000172067908 1127744652 /nfs/dbraw/zinc/74/46/52/1127744652.db2.gz IJCFXWFBCNGZCC-QGZVFWFLSA-N 0 1 299.443 3.624 20 0 CHADMN Cc1ccc(C2CCN(Cc3ccnn3C(C)C)CC2)cn1 ZINC000366286371 1127745022 /nfs/dbraw/zinc/74/50/22/1127745022.db2.gz TWXTUTKHLKNHOT-UHFFFAOYSA-N 0 1 298.434 3.547 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)C1CCCCCC1 ZINC000605888192 1127747876 /nfs/dbraw/zinc/74/78/76/1127747876.db2.gz LSVGRUWVCKZWSY-UHFFFAOYSA-N 0 1 267.756 3.955 20 0 CHADMN CC(C)c1cccc2c1OCCC[C@H]2NCc1cncn1C ZINC000368105618 1127756851 /nfs/dbraw/zinc/75/68/51/1127756851.db2.gz URDAJGWGMRQSOK-QGZVFWFLSA-N 0 1 299.418 3.547 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1nc(C(C)(C)C)no1 ZINC000606433990 1127761923 /nfs/dbraw/zinc/76/19/23/1127761923.db2.gz GDTLHENQVHIUER-OLZOCXBDSA-N 0 1 279.428 3.768 20 0 CHADMN CCO[C@H](C)c1noc(CN2CCCC[C@H]2[C@H](C)CC)n1 ZINC000606434334 1127762241 /nfs/dbraw/zinc/76/22/41/1127762241.db2.gz VBKKDIUSKORFRG-MCIONIFRSA-N 0 1 295.427 3.568 20 0 CHADMN C[C@@H](C(=O)Nc1ccccc1)N1CCC2(CCCC2)CC1 ZINC000606454099 1127764360 /nfs/dbraw/zinc/76/43/60/1127764360.db2.gz RILGEEXGECTZPA-HNNXBMFYSA-N 0 1 286.419 3.670 20 0 CHADMN Cc1nc(CN2CCC[C@@H](Cc3ccccc3)C2)oc1C ZINC000371548357 1127770620 /nfs/dbraw/zinc/77/06/20/1127770620.db2.gz IJNXFMAEJHIRPV-KRWDZBQOSA-N 0 1 284.403 3.746 20 0 CHADMN C/C(=C\c1ccccc1)CNCc1cn2ccsc2n1 ZINC000409478746 1127771608 /nfs/dbraw/zinc/77/16/08/1127771608.db2.gz SVXJVXVEACRAFQ-UKTHLTGXSA-N 0 1 283.400 3.589 20 0 CHADMN Cc1cccc([C@H](C)C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000606839544 1127778201 /nfs/dbraw/zinc/77/82/01/1127778201.db2.gz WXJVSSHLMKVAHR-LBPRGKRZSA-N 0 1 279.343 3.614 20 0 CHADMN CC(C)n1ccnc1CN1CC[C@@](C)(c2ccccc2)C1 ZINC000371896658 1127783350 /nfs/dbraw/zinc/78/33/50/1127783350.db2.gz YZBONWIQOOKMBI-GOSISDBHSA-N 0 1 283.419 3.628 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000607155113 1127792708 /nfs/dbraw/zinc/79/27/08/1127792708.db2.gz LOBGRRGFGMCLTB-MNOVXSKESA-N 0 1 291.782 3.620 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1cc(Br)ccc1F ZINC000607154816 1127789602 /nfs/dbraw/zinc/78/96/02/1127789602.db2.gz DBGLYCOFMXIBDP-VHSXEESVSA-N 0 1 286.188 3.819 20 0 CHADMN CCCCc1nc(CN2C[C@H](C)C[C@@H]2C)cs1 ZINC000607155461 1127796375 /nfs/dbraw/zinc/79/63/75/1127796375.db2.gz AOZMPELMMQKEGY-NEPJUHHUSA-N 0 1 252.427 3.716 20 0 CHADMN FC(F)(F)c1ccccc1[C@@H]1CCCN1Cc1cnc[nH]1 ZINC000372413258 1127799045 /nfs/dbraw/zinc/79/90/45/1127799045.db2.gz IGWWJWANUWBXEK-AWEZNQCLSA-N 0 1 295.308 3.766 20 0 CHADMN Cc1ccccc1[C@@H]1CCC[N@H+]1Cn1cc[nH]c1=S ZINC000173312585 1127819281 /nfs/dbraw/zinc/81/92/81/1127819281.db2.gz CIHOYQQNQZCCLV-AWEZNQCLSA-N 0 1 273.405 3.649 20 0 CHADMN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cn1cc[nH]c1=S ZINC000173352210 1127820297 /nfs/dbraw/zinc/82/02/97/1127820297.db2.gz CKJBWNZERUQXSK-AAEUAGOBSA-N 0 1 291.395 3.520 20 0 CHADMN C[C@H]1CCC[C@H](C)N(Cc2nc(-c3cccs3)no2)C1 ZINC000607742620 1127822380 /nfs/dbraw/zinc/82/23/80/1127822380.db2.gz WIAJUTXKYKAHIO-RYUDHWBXSA-N 0 1 291.420 3.809 20 0 CHADMN Cc1ccccc1CN1CCO[C@@H](c2ccccc2C)C1 ZINC000607745704 1127822494 /nfs/dbraw/zinc/82/24/94/1127822494.db2.gz ZHQKUNFBVLWYJB-LJQANCHMSA-N 0 1 281.399 3.877 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1CCC[C@@H](C)[C@H]1C ZINC000607741099 1127822820 /nfs/dbraw/zinc/82/28/20/1127822820.db2.gz RIQJPSLJBMETLW-DGCLKSJQSA-N 0 1 294.826 3.707 20 0 CHADMN Cc1cccc(NC(=O)CN2CCC3(C2)CCCCC3)c1 ZINC000607752648 1127823492 /nfs/dbraw/zinc/82/34/92/1127823492.db2.gz ZOICSRGUQVVZGF-UHFFFAOYSA-N 0 1 286.419 3.590 20 0 CHADMN C(=C/[C@H]1CCCN1Cc1cncs1)\c1ccccc1 ZINC000373303201 1127832884 /nfs/dbraw/zinc/83/28/84/1127832884.db2.gz OXWLLALRBYRDTB-XVJNWHFHSA-N 0 1 270.401 3.821 20 0 CHADMN CCc1oc2ccccc2c1CN(C)[C@H](C)c1n[nH]c(C)n1 ZINC000411125986 1127841393 /nfs/dbraw/zinc/84/13/93/1127841393.db2.gz MYZQPSGIOIRMQF-LLVKDONJSA-N 0 1 298.390 3.615 20 0 CHADMN Cc1ccoc1CNCc1cccc(OCC(C)C)c1 ZINC000608054424 1127844916 /nfs/dbraw/zinc/84/49/16/1127844916.db2.gz ROFJKEUWZCHRIQ-UHFFFAOYSA-N 0 1 273.376 3.913 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N1CCC(C2CCCC2)CC1 ZINC000608171399 1127852588 /nfs/dbraw/zinc/85/25/88/1127852588.db2.gz RIEVFPMYMAGTJF-UHFFFAOYSA-N 0 1 297.402 3.605 20 0 CHADMN Clc1ccc([C@H]2CC[N@H+]2CCc2cncs2)cc1 ZINC000411336548 1127855537 /nfs/dbraw/zinc/85/55/37/1127855537.db2.gz SUKLNNDUQHCGBO-CQSZACIVSA-N 0 1 278.808 3.786 20 0 CHADMN Clc1ccc([C@H]2CCN2CCc2cncs2)cc1 ZINC000411336548 1127855540 /nfs/dbraw/zinc/85/55/40/1127855540.db2.gz SUKLNNDUQHCGBO-CQSZACIVSA-N 0 1 278.808 3.786 20 0 CHADMN CCc1ccc(CN[C@H](c2ncccc2C)C(C)C)nc1 ZINC000411378504 1127857158 /nfs/dbraw/zinc/85/71/58/1127857158.db2.gz NYCHVHXIEPXWAK-KRWDZBQOSA-N 0 1 283.419 3.834 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2ccc(CC)cn2)c1 ZINC000411460527 1127860911 /nfs/dbraw/zinc/86/09/11/1127860911.db2.gz ROOIVEIUMIORLX-CQSZACIVSA-N 0 1 284.403 3.894 20 0 CHADMN COC[C@@H](N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccc(C)o1 ZINC000411517079 1127862383 /nfs/dbraw/zinc/86/23/83/1127862383.db2.gz ZLNDWAWPULXUCK-ARFHVFGLSA-N 0 1 289.350 3.560 20 0 CHADMN Cc1csc([C@H](C)NCCOc2cccc(Cl)c2)n1 ZINC000411522190 1127863797 /nfs/dbraw/zinc/86/37/97/1127863797.db2.gz VSFMHSDMIJXWMS-NSHDSACASA-N 0 1 296.823 3.835 20 0 CHADMN CCc1ccc(CN2C[C@H](C)C[C@H]2c2cccnc2)nc1 ZINC000411523577 1127863361 /nfs/dbraw/zinc/86/33/61/1127863361.db2.gz IOBALWSBKCMGJA-KDOFPFPSSA-N 0 1 281.403 3.622 20 0 CHADMN Cc1cc(C)cc(OCCCN2CCC[C@H]2c2cc[nH]n2)c1 ZINC000411657075 1127867443 /nfs/dbraw/zinc/86/74/43/1127867443.db2.gz SJQUNTVJADIRRG-SFHVURJKSA-N 0 1 299.418 3.633 20 0 CHADMN CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)c1ccncc1 ZINC000608493411 1127870026 /nfs/dbraw/zinc/87/00/26/1127870026.db2.gz BKZYSIVGXMGSDF-AWEZNQCLSA-N 0 1 270.376 3.673 20 0 CHADMN Cc1ccccc1-c1noc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)n1 ZINC000608498462 1127870541 /nfs/dbraw/zinc/87/05/41/1127870541.db2.gz KFRYXJBQEWEALG-GOEBONIOSA-N 0 1 297.402 3.810 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCC[C@@H]3CCC[C@H]32)n1 ZINC000608498462 1127870546 /nfs/dbraw/zinc/87/05/46/1127870546.db2.gz KFRYXJBQEWEALG-GOEBONIOSA-N 0 1 297.402 3.810 20 0 CHADMN CC(C)c1nc(CN2CC[C@H](c3ccco3)C2)cs1 ZINC000374008401 1127870608 /nfs/dbraw/zinc/87/06/08/1127870608.db2.gz POCFMRIIJOLJAB-LBPRGKRZSA-N 0 1 276.405 3.849 20 0 CHADMN Cc1ccc(-c2nnc(CN3C4CCCC3CCC4)o2)cc1 ZINC000608499207 1127871370 /nfs/dbraw/zinc/87/13/70/1127871370.db2.gz DHSWERQFZVMYJN-UHFFFAOYSA-N 0 1 297.402 3.952 20 0 CHADMN CCc1ccc([C@@H]2CCC[N@H+]([C@H](C)c3nnc(C)[nH]3)C2)cc1 ZINC000411721474 1127871853 /nfs/dbraw/zinc/87/18/53/1127871853.db2.gz IJEQFYBHGOWGOY-CXAGYDPISA-N 0 1 298.434 3.616 20 0 CHADMN CCc1ccc([C@@H]2CCCN([C@H](C)c3nnc(C)[nH]3)C2)cc1 ZINC000411721474 1127871858 /nfs/dbraw/zinc/87/18/58/1127871858.db2.gz IJEQFYBHGOWGOY-CXAGYDPISA-N 0 1 298.434 3.616 20 0 CHADMN CCC(C)(C)C1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC000608500755 1127872910 /nfs/dbraw/zinc/87/29/10/1127872910.db2.gz BBGHETCGADJLOJ-UHFFFAOYSA-N 0 1 294.483 3.582 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC(OCC2CC2)CC1 ZINC000374119424 1127874029 /nfs/dbraw/zinc/87/40/29/1127874029.db2.gz HDMKWNCUBWGLSU-LBPRGKRZSA-N 0 1 295.373 3.917 20 0 CHADMN Clc1ccc(CN2CCC(OCC3CC3)CC2)s1 ZINC000374119427 1127874046 /nfs/dbraw/zinc/87/40/46/1127874046.db2.gz HDUNXFFDJLFSFT-UHFFFAOYSA-N 0 1 285.840 3.793 20 0 CHADMN Cc1ccc(NC(=O)CN2C3CCCC2CCC3)cc1C ZINC000608564912 1127877732 /nfs/dbraw/zinc/87/77/32/1127877732.db2.gz GVVZHCQNMUESAQ-UHFFFAOYSA-N 0 1 286.419 3.649 20 0 CHADMN CCCn1ccc2ccc(NC(=O)c3cn[nH]c3CC)cc21 ZINC000608590709 1127880014 /nfs/dbraw/zinc/88/00/14/1127880014.db2.gz NVBFZENTRNUWTO-UHFFFAOYSA-N 0 1 296.374 3.589 20 0 CHADMN CC[C@H](NCc1nccn1CC(F)(F)F)c1ccccc1 ZINC000411891080 1127878487 /nfs/dbraw/zinc/87/84/87/1127878487.db2.gz ZSGZVYDSAXURNF-ZDUSSCGKSA-N 0 1 297.324 3.686 20 0 CHADMN CC(=O)c1ccc2c(c1)CN(CC1CCCCC1)C2 ZINC000411929338 1127880679 /nfs/dbraw/zinc/88/06/79/1127880679.db2.gz XKXLQBJQUFGRHB-UHFFFAOYSA-N 0 1 257.377 3.785 20 0 CHADMN CCc1nnc(CN(C)[C@@H]2CCCC[C@@H]2c2ccccc2)o1 ZINC000411997391 1127884706 /nfs/dbraw/zinc/88/47/06/1127884706.db2.gz HXGSNFHYHGQLIV-HZPDHXFCSA-N 0 1 299.418 3.790 20 0 CHADMN CC(C)c1nc(C[N@H+]2CC(C)(C)C[C@H]2C)cs1 ZINC000412034396 1127890536 /nfs/dbraw/zinc/89/05/36/1127890536.db2.gz FEJBIDOYOAEGOH-LLVKDONJSA-N 0 1 252.427 3.887 20 0 CHADMN CC(C)c1nc(CN2CC(C)(C)C[C@H]2C)cs1 ZINC000412034396 1127890543 /nfs/dbraw/zinc/89/05/43/1127890543.db2.gz FEJBIDOYOAEGOH-LLVKDONJSA-N 0 1 252.427 3.887 20 0 CHADMN C[C@@H](NCCc1ccc2ccccc2c1)c1csnn1 ZINC000412046852 1127891950 /nfs/dbraw/zinc/89/19/50/1127891950.db2.gz UVZRXYMZRLUTLC-GFCCVEGCSA-N 0 1 283.400 3.585 20 0 CHADMN C[C@H](CCSc1ccccc1)N[C@@H](C)c1csnn1 ZINC000412047244 1127893944 /nfs/dbraw/zinc/89/39/44/1127893944.db2.gz VKNCCUKPXGNRQE-NEPJUHHUSA-N 0 1 293.461 3.760 20 0 CHADMN CCC[C@@H](CC(C)C)c1nc(C2(N)CCCC2)no1 ZINC000308068170 1127894400 /nfs/dbraw/zinc/89/44/00/1127894400.db2.gz ZIABZVDIEMELMH-LBPRGKRZSA-N 0 1 265.401 3.727 20 0 CHADMN c1nc(C2CCCC2)sc1CN1CCC2(CCO2)CC1 ZINC000374373129 1127894688 /nfs/dbraw/zinc/89/46/88/1127894688.db2.gz QYENNYBIKOCERH-UHFFFAOYSA-N 0 1 292.448 3.556 20 0 CHADMN CCCC[C@H](C(=O)OC)N1CC[C@@H](c2ccccc2C)C1 ZINC000608990923 1127898287 /nfs/dbraw/zinc/89/82/87/1127898287.db2.gz BZVFJTZYJBCIAR-NVXWUHKLSA-N 0 1 289.419 3.516 20 0 CHADMN CCC(O)(CC)C[N@@H+](C)[C@H](C)c1ccc(F)cc1F ZINC000626110229 1127899388 /nfs/dbraw/zinc/89/93/88/1127899388.db2.gz SYHWJWJUXUGKAY-LLVKDONJSA-N 0 1 271.351 3.509 20 0 CHADMN Oc1ccc(F)c(CNCCC2=CCCCC2)c1F ZINC000509721507 1127904563 /nfs/dbraw/zinc/90/45/63/1127904563.db2.gz WXWLLOKTIRUKEI-UHFFFAOYSA-N 0 1 267.319 3.651 20 0 CHADMN Cc1csc(CNCc2cc(F)c(F)cc2F)c1 ZINC000385995250 1127906150 /nfs/dbraw/zinc/90/61/50/1127906150.db2.gz QOLHBABYEYJUTG-UHFFFAOYSA-N 0 1 271.307 3.764 20 0 CHADMN CC(C)C1CC[NH+](Cc2cccc([O-])c2Cl)CC1 ZINC000328482028 1127907077 /nfs/dbraw/zinc/90/70/77/1127907077.db2.gz QAUFDOXDVMZMPB-UHFFFAOYSA-N 0 1 267.800 3.914 20 0 CHADMN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1CC1CC1 ZINC000428773406 1127907211 /nfs/dbraw/zinc/90/72/11/1127907211.db2.gz QSXKNHACTRODTE-NHYWBVRUSA-N 0 1 299.336 3.877 20 0 CHADMN Cc1cc(NCc2ccc3nc[nH]c3c2)ccc1F ZINC000535541189 1127918433 /nfs/dbraw/zinc/91/84/33/1127918433.db2.gz CACGKWLVKLCQBY-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN COCc1ccc(-c2nc3ccc(C)c(C)c3[nH]2)cc1 ZINC000535592610 1127920937 /nfs/dbraw/zinc/92/09/37/1127920937.db2.gz DKMZWHXAEZGASP-UHFFFAOYSA-N 0 1 266.344 3.993 20 0 CHADMN Cc1nc([C@H](C)S[C@@H]2CCCc3ccccc32)n[nH]1 ZINC000412992821 1127936732 /nfs/dbraw/zinc/93/67/32/1127936732.db2.gz NBCKIVBHRKKPNA-IINYFYTJSA-N 0 1 273.405 3.985 20 0 CHADMN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)c1ncc(-c2ccccc2)o1 ZINC000375436631 1127944386 /nfs/dbraw/zinc/94/43/86/1127944386.db2.gz LDKQPOHFWPVEBN-MJEQTWJJSA-N 0 1 298.386 3.560 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)CC3CCCCC3)ccc12 ZINC000539909885 1127953919 /nfs/dbraw/zinc/95/39/19/1127953919.db2.gz PVEVFTPWMLYWFX-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN COC1CCN(Cc2c(Cl)cccc2SC)CC1 ZINC001233350548 1127954063 /nfs/dbraw/zinc/95/40/63/1127954063.db2.gz KWKKSYXDXZAWOQ-UHFFFAOYSA-N 0 1 285.840 3.673 20 0 CHADMN C[C@@H](Cc1ccsc1)N1CCO[C@@H](c2cccs2)C1 ZINC000544007219 1127954733 /nfs/dbraw/zinc/95/47/33/1127954733.db2.gz MCNPDLDLZJUNFG-GXTWGEPZSA-N 0 1 293.457 3.814 20 0 CHADMN C([C@@H]1CCC2(CCCCC2)O1)N1CCOCC12CCCC2 ZINC000467192355 1127958018 /nfs/dbraw/zinc/95/80/18/1127958018.db2.gz UBADJSGVBRKBME-INIZCTEOSA-N 0 1 293.451 3.513 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1Cc1nc2c(cccc2F)n1CC ZINC000467203968 1127959004 /nfs/dbraw/zinc/95/90/04/1127959004.db2.gz BJLUEURRTZHPFG-OLZOCXBDSA-N 0 1 289.398 3.816 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3c1cccc3F)CO2 ZINC000540158417 1127964476 /nfs/dbraw/zinc/96/44/76/1127964476.db2.gz VDXMYYBIXRMHNT-IAGOWNOFSA-N 0 1 283.346 3.845 20 0 CHADMN Cc1ccc(F)c(CN(C)CCc2ccccc2O)c1 ZINC000544364476 1127970353 /nfs/dbraw/zinc/97/03/53/1127970353.db2.gz BDSXTQSWZIMMAH-UHFFFAOYSA-N 0 1 273.351 3.514 20 0 CHADMN CC(C)(C)c1nc(CN(C2CC2)C2CCCC2)co1 ZINC000929600954 1127975067 /nfs/dbraw/zinc/97/50/67/1127975067.db2.gz YIGOSMINSLEHTE-UHFFFAOYSA-N 0 1 262.397 3.879 20 0 CHADMN CC[C@@H](N[C@@H](c1cccs1)C1CC1)c1ccn(C)n1 ZINC000544578703 1127977329 /nfs/dbraw/zinc/97/73/29/1127977329.db2.gz DGPVHWLEMXBDHO-IUODEOHRSA-N 0 1 275.421 3.674 20 0 CHADMN CC[C@H](N[C@H](c1cccs1)C1CC1)c1ccn(C)n1 ZINC000544578705 1127977592 /nfs/dbraw/zinc/97/75/92/1127977592.db2.gz DGPVHWLEMXBDHO-WFASDCNBSA-N 0 1 275.421 3.674 20 0 CHADMN Cc1cccc(CN(C)Cc2cn(C)nc2C(C)(C)C)c1 ZINC000540507733 1127981314 /nfs/dbraw/zinc/98/13/14/1127981314.db2.gz NBVVWBCRXLJZDZ-UHFFFAOYSA-N 0 1 285.435 3.658 20 0 CHADMN COc1ccc(Br)c(CN2CC[C@H]2C(C)C)c1 ZINC000540501392 1127981762 /nfs/dbraw/zinc/98/17/62/1127981762.db2.gz RRALEPNKADSKPO-AWEZNQCLSA-N 0 1 298.224 3.688 20 0 CHADMN CC(C)[C@@H]1CCN1Cc1cnc(C(C)(C)C)s1 ZINC000540503278 1127983050 /nfs/dbraw/zinc/98/30/50/1127983050.db2.gz BWOWBVJVCXTKCR-LBPRGKRZSA-N 0 1 252.427 3.671 20 0 CHADMN C[C@H]1CCN(Cc2nc3ccccc3o2)CC1(C)C ZINC000544782059 1127983675 /nfs/dbraw/zinc/98/36/75/1127983675.db2.gz KMICZGGPKTVJLO-LBPRGKRZSA-N 0 1 258.365 3.696 20 0 CHADMN CO[C@H](c1ccccc1F)[C@H](C)NCc1ccc(Cl)o1 ZINC000540686811 1127989995 /nfs/dbraw/zinc/98/99/95/1127989995.db2.gz ARLWOQTUMMNQER-BONVTDFDSA-N 0 1 297.757 3.938 20 0 CHADMN CN(Cc1cnc(C2CCCCC2)s1)CC1(O)CCC1 ZINC000544928603 1127990837 /nfs/dbraw/zinc/99/08/37/1127990837.db2.gz YKBJYOYKRCIWAM-UHFFFAOYSA-N 0 1 294.464 3.538 20 0 CHADMN CCCCCCN(C)Cc1nc(-c2ccccc2F)no1 ZINC000761437709 1127990844 /nfs/dbraw/zinc/99/08/44/1127990844.db2.gz VJRQLCBAFURTSY-UHFFFAOYSA-N 0 1 291.370 3.888 20 0 CHADMN CC[C@@H](C(=O)OCc1cc(C)sc1C)N(CC)CC ZINC000741032797 1127992624 /nfs/dbraw/zinc/99/26/24/1127992624.db2.gz NHRDBRADTHNVPD-AWEZNQCLSA-N 0 1 283.437 3.529 20 0 CHADMN CCC(C)(C)CCN1CCO[C@H](c2ccsc2)C1 ZINC000468124058 1127993197 /nfs/dbraw/zinc/99/31/97/1127993197.db2.gz KTRSOUXZAIZQAW-AWEZNQCLSA-N 0 1 267.438 3.948 20 0 CHADMN CC[C@]1(C)CCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000468148309 1127994663 /nfs/dbraw/zinc/99/46/63/1127994663.db2.gz VIVYGOFQQQXHHH-OAHLLOKOSA-N 0 1 262.328 3.589 20 0 CHADMN CO[C@@H](C)CN([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000541069547 1128007108 /nfs/dbraw/zinc/00/71/08/1128007108.db2.gz DMDRGHIBIYGFFK-RYUDHWBXSA-N 0 1 267.800 3.900 20 0 CHADMN C[N@@H+](CCC(C)(C)C1CC1)Cc1ccc(C(=O)[O-])cc1 ZINC000405968101 1128007552 /nfs/dbraw/zinc/00/75/52/1128007552.db2.gz SQHXVEBHSIEIPP-UHFFFAOYSA-N 0 1 275.392 3.643 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1)C1CC1 ZINC000405950181 1128008648 /nfs/dbraw/zinc/00/86/48/1128008648.db2.gz FLSGUUFLVWQZEG-AWEZNQCLSA-N 0 1 281.440 3.636 20 0 CHADMN COC(C)(C)CCSc1nc2ccc(C)cc2[nH]1 ZINC000468482482 1128010347 /nfs/dbraw/zinc/01/03/47/1128010347.db2.gz CARSUFIXIQSUBW-UHFFFAOYSA-N 0 1 264.394 3.779 20 0 CHADMN C[C@H]1CN([C@@H]2CCc3ccc(Cl)cc32)CCS1 ZINC000541348128 1128018864 /nfs/dbraw/zinc/01/88/64/1128018864.db2.gz LMDVQSQEXMEZMA-IINYFYTJSA-N 0 1 267.825 3.765 20 0 CHADMN c1sc(Cc2ccccc2)nc1CNC1(C2CC2)CC1 ZINC000541594811 1128029263 /nfs/dbraw/zinc/02/92/63/1128029263.db2.gz LFESJDUNRFKKMA-UHFFFAOYSA-N 0 1 284.428 3.766 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000541619449 1128031540 /nfs/dbraw/zinc/03/15/40/1128031540.db2.gz UBMNFVMJEGAUFY-XFJVYGCCSA-N 0 1 297.389 3.755 20 0 CHADMN CCc1cccc(CN2CCc3ccc(O)cc3C2)c1 ZINC000469723917 1128050669 /nfs/dbraw/zinc/05/06/69/1128050669.db2.gz BKDLRWOALJXIAP-UHFFFAOYSA-N 0 1 267.372 3.513 20 0 CHADMN CC[C@@H](C)CN(CC)[C@@H](C)c1nnnn1C1CCCCC1 ZINC000469713176 1128050822 /nfs/dbraw/zinc/05/08/22/1128050822.db2.gz MNAKXNHUYGPELW-KGLIPLIRSA-N 0 1 293.459 3.607 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CC[C@@H](C)C3)n[nH]2)cc1 ZINC000469942979 1128058447 /nfs/dbraw/zinc/05/84/47/1128058447.db2.gz DPFWJSIQLFJOHI-HIFRSBDPSA-N 0 1 297.402 3.646 20 0 CHADMN CC(C)c1ccc([C@H](C)N(C)C[C@@H](O)C(F)(F)F)cc1 ZINC000542256229 1128059985 /nfs/dbraw/zinc/05/99/85/1128059985.db2.gz UPJSATCLXZMLFB-SMDDNHRTSA-N 0 1 289.341 3.726 20 0 CHADMN CN1Cc2ccccc2[C@H](Nc2nc3c(cccc3F)o2)C1 ZINC000784335133 1128062208 /nfs/dbraw/zinc/06/22/08/1128062208.db2.gz LMKLXYSXUBZXTN-CQSZACIVSA-N 0 1 297.333 3.566 20 0 CHADMN COc1ccc(C[C@@H](C)CNc2cc(C)ccn2)cc1F ZINC000470107177 1128063540 /nfs/dbraw/zinc/06/35/40/1128063540.db2.gz XQQXOHJFOZTAHJ-CYBMUJFWSA-N 0 1 288.366 3.828 20 0 CHADMN CC(C)CC(C)(C)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000470347123 1128069130 /nfs/dbraw/zinc/06/91/30/1128069130.db2.gz UOFDTVIAWSIFII-UHFFFAOYSA-N 0 1 293.455 3.738 20 0 CHADMN CC(C)CCC[C@@H](C)NC(=O)CN[C@@H](C)c1ccsc1 ZINC000669937122 1128076328 /nfs/dbraw/zinc/07/63/28/1128076328.db2.gz JZBQCHWADYNKDG-KGLIPLIRSA-N 0 1 296.480 3.730 20 0 CHADMN Cc1ccnc(NC[C@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC000470505251 1128072234 /nfs/dbraw/zinc/07/22/34/1128072234.db2.gz BAIFCAUOVCZQRO-UKRRQHHQSA-N 0 1 262.397 3.643 20 0 CHADMN Cc1ccc(NC(=O)CN[C@@H](C)c2ccsc2)c(C)c1 ZINC000669937493 1128076085 /nfs/dbraw/zinc/07/60/85/1128076085.db2.gz ITVIFUIYTOAYAM-ZDUSSCGKSA-N 0 1 288.416 3.654 20 0 CHADMN COCCC1(C[NH2+]Cc2c([O-])cccc2Cl)CCCC1 ZINC000151810764 1128078028 /nfs/dbraw/zinc/07/80/28/1128078028.db2.gz NCLULNMCOKRTET-UHFFFAOYSA-N 0 1 297.826 3.732 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCN1CCc1cccc(F)c1F ZINC000470943586 1128082620 /nfs/dbraw/zinc/08/26/20/1128082620.db2.gz DGPHZKRGRMVEOZ-GXSJLCMTSA-N 0 1 293.279 3.780 20 0 CHADMN Cc1ccnc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000669943733 1128084215 /nfs/dbraw/zinc/08/42/15/1128084215.db2.gz BKWRVLQTKCIXKC-AWEZNQCLSA-N 0 1 298.352 3.945 20 0 CHADMN Cc1cc([C@@H](C)NCc2sc(C)nc2C)oc1C ZINC000282099873 1128089391 /nfs/dbraw/zinc/08/93/91/1128089391.db2.gz IOWCKLCRFAYDMT-SECBINFHSA-N 0 1 264.394 3.821 20 0 CHADMN COc1ccncc1CN1CCCC[C@@H]1c1ccccc1 ZINC000347099635 1128088766 /nfs/dbraw/zinc/08/87/66/1128088766.db2.gz VGXVTNBIZKVWAT-QGZVFWFLSA-N 0 1 282.387 3.817 20 0 CHADMN CC(C)CO[C@H](C)c1noc(CN(CC(C)C)C(C)C)n1 ZINC000173873436 1128094675 /nfs/dbraw/zinc/09/46/75/1128094675.db2.gz QATCMIMSJWXKQW-CQSZACIVSA-N 0 1 297.443 3.670 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)N1CCC[C@@H](CO)C1 ZINC000305210679 1128095576 /nfs/dbraw/zinc/09/55/76/1128095576.db2.gz OWOOOMGWWWEGBD-GHMZBOCLSA-N 0 1 288.218 3.759 20 0 CHADMN COc1ccnc([C@H](C)N[C@H](C)c2ccccc2C)c1 ZINC000924544759 1128103592 /nfs/dbraw/zinc/10/35/92/1128103592.db2.gz ZQJMLKNGIXGQLS-KGLIPLIRSA-N 0 1 270.376 3.810 20 0 CHADMN CC[C@@H](N[C@H](C)c1cc(OC)no1)c1ccc(C)cc1 ZINC000924546715 1128103689 /nfs/dbraw/zinc/10/36/89/1128103689.db2.gz KNDUJYNGISMHLD-TZMCWYRMSA-N 0 1 274.364 3.794 20 0 CHADMN C[C@@H](N[C@@H]1CCOc2ccccc21)c1ccnn1C1CCC1 ZINC000924564436 1128105192 /nfs/dbraw/zinc/10/51/92/1128105192.db2.gz QSRVTPKKGBZGJI-CZUORRHYSA-N 0 1 297.402 3.783 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H](c2ccccc2)C2CC2)c1 ZINC000924597339 1128106542 /nfs/dbraw/zinc/10/65/42/1128106542.db2.gz IRFMFADLEWRIGL-UGSOOPFHSA-N 0 1 282.387 3.892 20 0 CHADMN C[C@@H](NCc1cccc(F)c1)c1ccnn1CC1CCC1 ZINC000924610417 1128107099 /nfs/dbraw/zinc/10/70/99/1128107099.db2.gz QHOKYHPTBKQTGA-CYBMUJFWSA-N 0 1 287.382 3.673 20 0 CHADMN C[C@@H](N[C@H](C)c1ccnnc1)c1ccc(Cl)s1 ZINC000924610032 1128107235 /nfs/dbraw/zinc/10/72/35/1128107235.db2.gz OTCMGYLHTXLSCE-RKDXNWHRSA-N 0 1 267.785 3.603 20 0 CHADMN COCc1ccc(CN[C@H](C)c2cnn(C3CCC3)c2)cc1 ZINC000924608884 1128107247 /nfs/dbraw/zinc/10/72/47/1128107247.db2.gz FFXQVEWRBYJZFX-CQSZACIVSA-N 0 1 299.418 3.605 20 0 CHADMN CCOCc1ccccc1CN[C@H](C)c1c(C)noc1C ZINC000924602771 1128107523 /nfs/dbraw/zinc/10/75/23/1128107523.db2.gz NXWDYVQGXLPRCD-GFCCVEGCSA-N 0 1 288.391 3.679 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2occc21)c1ccnn1C1CCC1 ZINC000924644941 1128108967 /nfs/dbraw/zinc/10/89/67/1128108967.db2.gz RYXXSCWZQCIBJF-IUODEOHRSA-N 0 1 285.391 3.929 20 0 CHADMN CC[C@H](N[C@H]1CCCc2occc21)c1cccc(OC)n1 ZINC000924643135 1128109365 /nfs/dbraw/zinc/10/93/65/1128109365.db2.gz IDTUMKJJWJCICT-KBPBESRZSA-N 0 1 286.375 3.802 20 0 CHADMN COc1ccccc1[C@@H](NCC1CCCC1)c1ccccn1 ZINC000924775560 1128112231 /nfs/dbraw/zinc/11/22/31/1128112231.db2.gz AOSJIMHCIDJTBC-LJQANCHMSA-N 0 1 296.414 3.959 20 0 CHADMN CCSc1ccccc1C[C@@H](C)NCc1cc(C)on1 ZINC000924775858 1128112411 /nfs/dbraw/zinc/11/24/11/1128112411.db2.gz JMIIEAMCBNPBAS-GFCCVEGCSA-N 0 1 290.432 3.816 20 0 CHADMN C[C@@H](NCc1ccc(F)c(F)c1)c1cnn(C2CCC2)c1 ZINC000924784285 1128112732 /nfs/dbraw/zinc/11/27/32/1128112732.db2.gz SUMYHRPAFJWMNN-LLVKDONJSA-N 0 1 291.345 3.737 20 0 CHADMN C[C@@H](NCCc1c[nH]c2cc(Cl)ccc12)c1ncco1 ZINC000924856546 1128115264 /nfs/dbraw/zinc/11/52/64/1128115264.db2.gz PUZAJPINOYDOML-SNVBAGLBSA-N 0 1 289.766 3.703 20 0 CHADMN CCc1ncc(CN2CCC(c3cccc(F)c3)CC2)o1 ZINC000929788683 1128115918 /nfs/dbraw/zinc/11/59/18/1128115918.db2.gz BBNLFLDDXUWLOQ-UHFFFAOYSA-N 0 1 288.366 3.756 20 0 CHADMN C[C@H](NC/C=C/c1ccccc1)c1cn2c(n1)CCCC2 ZINC000925050887 1128120226 /nfs/dbraw/zinc/12/02/26/1128120226.db2.gz JNKWHFPZTFNNJF-VSGCLNPGSA-N 0 1 281.403 3.583 20 0 CHADMN Cc1cnc(CNC2CC(Sc3ccccc3)C2)s1 ZINC000925150822 1128123630 /nfs/dbraw/zinc/12/36/30/1128123630.db2.gz FUECOZGKWYZSAG-UHFFFAOYSA-N 0 1 290.457 3.864 20 0 CHADMN CC(C)COc1ccc([C@@H](C)N[C@@H](C)c2ccnnc2)cc1 ZINC000925266381 1128126753 /nfs/dbraw/zinc/12/67/53/1128126753.db2.gz YJQWSDVCBXIQJY-CABCVRRESA-N 0 1 299.418 3.923 20 0 CHADMN CC(C)COc1ccc([C@H](C)N[C@@H](C)c2ccnnc2)cc1 ZINC000925266382 1128127003 /nfs/dbraw/zinc/12/70/03/1128127003.db2.gz YJQWSDVCBXIQJY-GJZGRUSLSA-N 0 1 299.418 3.923 20 0 CHADMN Cc1ccc([C@@H](C)NCc2nc3c(s2)CCC3)cc1 ZINC000093063192 1128127300 /nfs/dbraw/zinc/12/73/00/1128127300.db2.gz HMEPGKREHXHREE-GFCCVEGCSA-N 0 1 272.417 3.791 20 0 CHADMN C[C@H](NCc1ccc(OC2CCCC2)cc1)c1ccnnc1 ZINC000925362675 1128128555 /nfs/dbraw/zinc/12/85/55/1128128555.db2.gz GMAXSIWPATUDPV-AWEZNQCLSA-N 0 1 297.402 3.649 20 0 CHADMN CC(C)(C)c1nnc(CNC2CC3(C2)CCCC3)s1 ZINC000925526248 1128131359 /nfs/dbraw/zinc/13/13/59/1128131359.db2.gz HELJVDAKXGQOKT-UHFFFAOYSA-N 0 1 279.453 3.648 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2N[C@H]1CCCC(F)(F)C1 ZINC000925565054 1128132233 /nfs/dbraw/zinc/13/22/33/1128132233.db2.gz XSRLBICILYKLSN-WDEREUQCSA-N 0 1 270.323 3.528 20 0 CHADMN COc1cc([C@H](C)N[C@H]2CC(C)(C)c3ccccc32)on1 ZINC000925574072 1128133022 /nfs/dbraw/zinc/13/30/22/1128133022.db2.gz YEGJSNNPYFAXTB-FZMZJTMJSA-N 0 1 286.375 3.756 20 0 CHADMN COc1cc(C)cc(CN[C@H](C)c2cccc3c2OCO3)c1 ZINC000925603529 1128134269 /nfs/dbraw/zinc/13/42/69/1128134269.db2.gz OAPNUKBMWJDFOI-CYBMUJFWSA-N 0 1 299.370 3.583 20 0 CHADMN CCN(c1ccc(N[C@H]2C[C@@H](C)n3ncnc32)cc1)C(C)C ZINC000925734397 1128138824 /nfs/dbraw/zinc/13/88/24/1128138824.db2.gz OSLMGUBUGQJQPM-CJNGLKHVSA-N 0 1 299.422 3.631 20 0 CHADMN C[C@H](N[C@H]1CCCc2c(Cl)ccnc21)c1ccc[nH]1 ZINC000925643334 1128135625 /nfs/dbraw/zinc/13/56/25/1128135625.db2.gz FPPJCTKMNBKFPL-HZMBPMFUSA-N 0 1 275.783 3.791 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c(Cl)ccnc21)c1ccc[nH]1 ZINC000925643340 1128135846 /nfs/dbraw/zinc/13/58/46/1128135846.db2.gz FPPJCTKMNBKFPL-YGRLFVJLSA-N 0 1 275.783 3.791 20 0 CHADMN O=C(/C=C/c1ccsc1)Nc1cc(Cl)c(O)cc1F ZINC000493682147 1128147105 /nfs/dbraw/zinc/14/71/05/1128147105.db2.gz ALGDRZXDUBVTDU-OWOJBTEDSA-N 0 1 297.738 3.898 20 0 CHADMN Cc1ncsc1CN(C)Cc1ccc(CF)cc1 ZINC000777582484 1128150962 /nfs/dbraw/zinc/15/09/62/1128150962.db2.gz GZFBAOGCGJTZDF-UHFFFAOYSA-N 0 1 264.369 3.553 20 0 CHADMN C[C@H]1CCN(Cc2cc(F)ccc2Cl)CCS1 ZINC000494098072 1128155406 /nfs/dbraw/zinc/15/54/06/1128155406.db2.gz KTRCIOOBRVDABT-JTQLQIEISA-N 0 1 273.804 3.807 20 0 CHADMN CCc1noc(C)c1CN(C)Cc1cccc2[nH]ccc21 ZINC000494061612 1128155485 /nfs/dbraw/zinc/15/54/85/1128155485.db2.gz XZQKTVWSAJVIKP-UHFFFAOYSA-N 0 1 283.375 3.659 20 0 CHADMN CCCc1csc(CNC[C@@H](OC)c2ccccc2)n1 ZINC000494038018 1128155500 /nfs/dbraw/zinc/15/55/00/1128155500.db2.gz MTXHVZDJXMVPBV-OAHLLOKOSA-N 0 1 290.432 3.573 20 0 CHADMN C[C@@H]1CCN(Cc2cc(Cl)cc3c2OCC3)CCS1 ZINC000494125977 1128156070 /nfs/dbraw/zinc/15/60/70/1128156070.db2.gz MATRYOKTJNPRCQ-LLVKDONJSA-N 0 1 297.851 3.602 20 0 CHADMN CCC(N)=NOCc1ccc(OC(C)C)c(Cl)c1 ZINC000777588366 1128156094 /nfs/dbraw/zinc/15/60/94/1128156094.db2.gz OUTSMISONFIVCK-UHFFFAOYSA-N 0 1 270.760 3.536 20 0 CHADMN CCCc1csc(CN[C@H]2C[C@H]2Cc2ccccc2)n1 ZINC000494146757 1128157026 /nfs/dbraw/zinc/15/70/26/1128157026.db2.gz VIAYZUVCSPJSON-ZBFHGGJFSA-N 0 1 286.444 3.816 20 0 CHADMN Cc1csc([C@H](C)CN[C@H]2CCCc3oc(C)nc32)n1 ZINC000926151775 1128157550 /nfs/dbraw/zinc/15/75/50/1128157550.db2.gz WJRAETMHPDHWEX-SKDRFNHKSA-N 0 1 291.420 3.519 20 0 CHADMN CC(C)Oc1ccc(C[N@@H+](C)C[C@@H]2CCCO2)cc1Cl ZINC000494178295 1128158177 /nfs/dbraw/zinc/15/81/77/1128158177.db2.gz DLBVDBPSXOMWEO-AWEZNQCLSA-N 0 1 297.826 3.738 20 0 CHADMN COc1cc(C)nc(CN[C@H](C)c2cc(C)sc2C)c1 ZINC000214049151 1128158635 /nfs/dbraw/zinc/15/86/35/1128158635.db2.gz KIZARKYYIGCSMT-GFCCVEGCSA-N 0 1 290.432 3.928 20 0 CHADMN CCCc1csc(CNc2ccc3c(c2)CN(C)C3)n1 ZINC000494183418 1128159099 /nfs/dbraw/zinc/15/90/99/1128159099.db2.gz RUISQEIXZDPWEY-UHFFFAOYSA-N 0 1 287.432 3.653 20 0 CHADMN C[C@@H](CC(F)(F)F)N[C@H]1CCc2c1nccc2Cl ZINC000926187084 1128159119 /nfs/dbraw/zinc/15/91/19/1128159119.db2.gz AGEKGQRFAVXOMB-XVKPBYJWSA-N 0 1 278.705 3.653 20 0 CHADMN CC(C)[C@@H](CN[C@H](C)c1ncco1)Cc1ccccc1 ZINC000926253559 1128162928 /nfs/dbraw/zinc/16/29/28/1128162928.db2.gz ZMHXABYGGMWKAE-GDBMZVCRSA-N 0 1 272.392 3.840 20 0 CHADMN CC(C)[C@@H](CN[C@@H](C)c1ncco1)Cc1ccccc1 ZINC000926253561 1128163104 /nfs/dbraw/zinc/16/31/04/1128163104.db2.gz ZMHXABYGGMWKAE-GOEBONIOSA-N 0 1 272.392 3.840 20 0 CHADMN Cc1ccccc1[C@H]1C[C@H](N[C@@H](C)c2cn(C(C)C)nn2)C1 ZINC000926350640 1128168856 /nfs/dbraw/zinc/16/88/56/1128168856.db2.gz LOCVSWGFWZEARI-JYJNAYRXSA-N 0 1 298.434 3.764 20 0 CHADMN C[C@@H](NC1CC2(C1)CCCC2)c1c(F)cncc1F ZINC000926419369 1128171000 /nfs/dbraw/zinc/17/10/00/1128171000.db2.gz SZIUHZONFSSZIV-SNVBAGLBSA-N 0 1 266.335 3.733 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2NC1CC(Nc2ccccc2)C1 ZINC000926837937 1128197697 /nfs/dbraw/zinc/19/76/97/1128197697.db2.gz PZUXGZPSARNSBB-UYSNPLJNSA-N 0 1 297.402 3.593 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccc(Cl)cc1)c1ccns1 ZINC000926429436 1128171767 /nfs/dbraw/zinc/17/17/67/1128171767.db2.gz ZRFBQNZNVNRZSL-ZWNOBZJWSA-N 0 1 296.823 3.571 20 0 CHADMN CC(C)c1cccc(CNCc2cncc(F)c2)c1 ZINC000494442822 1128173965 /nfs/dbraw/zinc/17/39/65/1128173965.db2.gz GLWARUCWXNBHKR-UHFFFAOYSA-N 0 1 258.340 3.634 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2N[C@]1(C)C[C@H]1c1ccccc1 ZINC000926482978 1128175058 /nfs/dbraw/zinc/17/50/58/1128175058.db2.gz QIZWCOIRASXZGY-HDMKZQKVSA-N 0 1 282.387 3.896 20 0 CHADMN C[C@H](N[C@H]1C[C@H](c2ccccc2Cl)C1)c1ncco1 ZINC000926495539 1128175640 /nfs/dbraw/zinc/17/56/40/1128175640.db2.gz PBQNPMCSXCTQJC-SRVKXCTJSA-N 0 1 276.767 3.925 20 0 CHADMN Cc1ccccc1C1(N[C@@H](C)Cc2cccc(F)c2)COC1 ZINC001168466125 1128178890 /nfs/dbraw/zinc/17/88/90/1128178890.db2.gz AGRDOGYBVYUKQC-HNNXBMFYSA-N 0 1 299.389 3.580 20 0 CHADMN C[C@@H]1C[C@H](NC2CC(Sc3ccccc3)C2)c2nccn21 ZINC000926532312 1128179482 /nfs/dbraw/zinc/17/94/82/1128179482.db2.gz LCUKPEQPUSGPMZ-XCAIRMDXSA-N 0 1 299.443 3.802 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cn(C)cn2)c2ccccc12 ZINC000926576208 1128182048 /nfs/dbraw/zinc/18/20/48/1128182048.db2.gz CDLUTRCJXPOMIL-CQSZACIVSA-N 0 1 279.387 3.733 20 0 CHADMN CC1(C)[C@H](NCc2nnc(C3CC3)s2)[C@@H]2CCCC[C@@H]21 ZINC000926595736 1128183299 /nfs/dbraw/zinc/18/32/99/1128183299.db2.gz IBPBRUODOFWYNG-MBNYWOFBSA-N 0 1 291.464 3.720 20 0 CHADMN CSc1ccccc1CN[C@H](CO)c1sccc1C ZINC000494626352 1128183513 /nfs/dbraw/zinc/18/35/13/1128183513.db2.gz PDMWHHQNOQMSJR-CYBMUJFWSA-N 0 1 293.457 3.602 20 0 CHADMN CCc1ccc([C@H](N[C@H]2CO[C@@H](C)C2)c2cccnc2)cc1 ZINC000926639055 1128185466 /nfs/dbraw/zinc/18/54/66/1128185466.db2.gz NOZQRDHZKGLEOR-KYNGSXCRSA-N 0 1 296.414 3.500 20 0 CHADMN COc1c(C)cccc1CN[C@@H](C)c1cnn(C2CCC2)c1 ZINC000926664041 1128186539 /nfs/dbraw/zinc/18/65/39/1128186539.db2.gz OZXAETOGRXUCJV-AWEZNQCLSA-N 0 1 299.418 3.776 20 0 CHADMN Cc1nnc([C@H](C)NCCCc2cccc3ccccc32)o1 ZINC000544517931 1128186666 /nfs/dbraw/zinc/18/66/66/1128186666.db2.gz GMUHZXJHXRNPEI-ZDUSSCGKSA-N 0 1 295.386 3.815 20 0 CHADMN Cc1cccc2c1[C@@H](NCc1noc3ccccc31)CC2 ZINC000926671430 1128186742 /nfs/dbraw/zinc/18/67/42/1128186742.db2.gz BWIIIYYUJHRZPV-HNNXBMFYSA-N 0 1 278.355 3.913 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cnn(C3CCC3)c2)c1C ZINC000926731373 1128190739 /nfs/dbraw/zinc/19/07/39/1128190739.db2.gz BMNXLQMSNIZYSC-AWEZNQCLSA-N 0 1 299.418 3.776 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2cccc3c2OCO3)s1 ZINC000926786614 1128194386 /nfs/dbraw/zinc/19/43/86/1128194386.db2.gz PQNBKEOSVZDFGK-NXEZZACHSA-N 0 1 290.388 3.592 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnc(C)s1)c1cccc(OC)n1 ZINC000926787015 1128194457 /nfs/dbraw/zinc/19/44/57/1128194457.db2.gz RLPNFEDZINWYJI-JQWIXIFHSA-N 0 1 291.420 3.657 20 0 CHADMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)c1ccc(F)cn1 ZINC000777702451 1128247580 /nfs/dbraw/zinc/24/75/80/1128247580.db2.gz XTUCODRDZILMSX-NSHDSACASA-N 0 1 291.345 3.595 20 0 CHADMN CCCC(C)(C)CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000495237256 1128248906 /nfs/dbraw/zinc/24/89/06/1128248906.db2.gz DDQBEVBPZNMZMT-UHFFFAOYSA-N 0 1 259.353 3.718 20 0 CHADMN C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(CF)cc1 ZINC000777714696 1128253562 /nfs/dbraw/zinc/25/35/62/1128253562.db2.gz ZRYSMRHQWJSMKS-CYBMUJFWSA-N 0 1 258.340 3.744 20 0 CHADMN CCc1cc(CN2CCC(c3cccs3)CC2)on1 ZINC001203225560 1128256003 /nfs/dbraw/zinc/25/60/03/1128256003.db2.gz SBRPYOKTGJHXFX-UHFFFAOYSA-N 0 1 276.405 3.678 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccc(F)cn2)cc1C ZINC000926902011 1128201820 /nfs/dbraw/zinc/20/18/20/1128201820.db2.gz DBVHMQAXUZLXBZ-QWHCGFSZSA-N 0 1 288.366 3.950 20 0 CHADMN OC[C@]1(F)CCN(Cc2ccc(C3CCCCC3)cc2)C1 ZINC000670113436 1128206189 /nfs/dbraw/zinc/20/61/89/1128206189.db2.gz IJNURWTVQHUREA-SFHVURJKSA-N 0 1 291.410 3.641 20 0 CHADMN CCc1cc(CN2CC[C@@H](c3ccccc3Cl)C2)on1 ZINC001203224823 1128211028 /nfs/dbraw/zinc/21/10/28/1128211028.db2.gz DRGDFMWXHLIFJM-GFCCVEGCSA-N 0 1 290.794 3.880 20 0 CHADMN c1cncc([C@H](N[C@@H]2CCCc3cccnc32)C2CCC2)c1 ZINC000927061416 1128212214 /nfs/dbraw/zinc/21/22/14/1128212214.db2.gz NMQRRYWLIROKIM-QZTJIDSGSA-N 0 1 293.414 3.985 20 0 CHADMN CC(C)[C@@H](N[C@H]1CCCc2cccnc21)c1ccccn1 ZINC000927061127 1128212638 /nfs/dbraw/zinc/21/26/38/1128212638.db2.gz BFNJKUOKGLCRAD-DLBZAZTESA-N 0 1 281.403 3.841 20 0 CHADMN CC(C)C[C@H](C)N(C)CC(=O)Nc1ccccc1Cl ZINC000914574126 1128212864 /nfs/dbraw/zinc/21/28/64/1128212864.db2.gz CQCMONLUZHAJBG-LBPRGKRZSA-N 0 1 282.815 3.645 20 0 CHADMN C(=C/c1ccncc1)\C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000494927131 1128213596 /nfs/dbraw/zinc/21/35/96/1128213596.db2.gz YHOVNFOHBGKOHK-OQBYNLHGSA-N 0 1 293.414 3.671 20 0 CHADMN Cc1cncc([C@H](C)N[C@H]2CCCc3cccnc32)c1 ZINC000927064716 1128213956 /nfs/dbraw/zinc/21/39/56/1128213956.db2.gz YZTVLNGZHCJYLL-BBRMVZONSA-N 0 1 267.376 3.513 20 0 CHADMN COc1ccc([C@@H](N[C@@H](C)c2ccn(C)n2)C2CCC2)cc1 ZINC000927065372 1128214398 /nfs/dbraw/zinc/21/43/98/1128214398.db2.gz DQTAASQDGAXBDE-UGSOOPFHSA-N 0 1 299.418 3.621 20 0 CHADMN Cc1nc(C)c([C@H](C)N(C)C/C=C\c2ccncc2)s1 ZINC000494939204 1128215395 /nfs/dbraw/zinc/21/53/95/1128215395.db2.gz QNEXXZVNFRKQAW-SZZPACECSA-N 0 1 287.432 3.861 20 0 CHADMN CCC[C@@H](NCc1cccc2c1OCC2)c1cccnc1 ZINC000927089840 1128216731 /nfs/dbraw/zinc/21/67/31/1128216731.db2.gz GDOWULHIQNWNEU-QGZVFWFLSA-N 0 1 282.387 3.648 20 0 CHADMN CCn1cccc1CN(C)CCOc1ccc(Cl)cc1 ZINC000494971733 1128218124 /nfs/dbraw/zinc/21/81/24/1128218124.db2.gz JMUVPIICUNPRHJ-UHFFFAOYSA-N 0 1 292.810 3.672 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cc(C3CC3)n(C)n1)[C@@H](C)C2 ZINC000927109824 1128218498 /nfs/dbraw/zinc/21/84/98/1128218498.db2.gz YTPIPGAKVBZEBH-DJJJIMSYSA-N 0 1 295.430 3.629 20 0 CHADMN CC(C)[C@@H](NCc1cc(C2CC2)n(C)n1)c1ccccc1 ZINC000927113104 1128218513 /nfs/dbraw/zinc/21/85/13/1128218513.db2.gz WNAQLTHZPSZQOJ-GOSISDBHSA-N 0 1 283.419 3.784 20 0 CHADMN Cn1nc(CN[C@@H]2CCCCc3ccccc32)cc1C1CC1 ZINC000927112719 1128218682 /nfs/dbraw/zinc/21/86/82/1128218682.db2.gz QGEKLEADYWTOER-GOSISDBHSA-N 0 1 295.430 3.855 20 0 CHADMN CC[C@H](NCc1cc(C2CC2)n(C)n1)c1ccc(C)cc1 ZINC000927114986 1128218937 /nfs/dbraw/zinc/21/89/37/1128218937.db2.gz XSFVNIWFXFVORA-KRWDZBQOSA-N 0 1 283.419 3.847 20 0 CHADMN CC(C)c1ncc(C(=O)N(Cc2cccs2)C(C)C)[nH]1 ZINC001118909718 1131242692 /nfs/dbraw/zinc/24/26/92/1131242692.db2.gz GGPWAUOSGWHKRY-UHFFFAOYSA-N 0 1 291.420 3.645 20 0 CHADMN CCc1onc(C)c1CN[C@@H](CC)c1ccc(F)cc1 ZINC000927136579 1128221521 /nfs/dbraw/zinc/22/15/21/1128221521.db2.gz CQPHWIITHLMURZ-HNNXBMFYSA-N 0 1 276.355 3.925 20 0 CHADMN CCN(CC(C)C)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000495004307 1128221910 /nfs/dbraw/zinc/22/19/10/1128221910.db2.gz FZXAJUAYELFCBJ-UHFFFAOYSA-N 0 1 299.418 3.812 20 0 CHADMN COc1ccccc1[C@H](N[C@@H]1C[C@H](C)[C@@H]1C)c1ccccn1 ZINC000495057023 1128226566 /nfs/dbraw/zinc/22/65/66/1128226566.db2.gz FCYZPMUAIUNNFQ-PDVMFTSQSA-N 0 1 296.414 3.814 20 0 CHADMN CC(C)CCOC1CCN([C@H](C)c2ccc(F)nc2)CC1 ZINC000929278744 1128267211 /nfs/dbraw/zinc/26/72/11/1128267211.db2.gz MXTKUYQDLBWVGK-CQSZACIVSA-N 0 1 294.414 3.809 20 0 CHADMN Fc1ccccc1CN(C/C=C\c1ccncc1)C1CC1 ZINC000495077707 1128229072 /nfs/dbraw/zinc/22/90/72/1128229072.db2.gz GLEDQYWTCPNUPZ-ARJAWSKDSA-N 0 1 282.362 3.899 20 0 CHADMN Cc1ccc(C)c(N[C@@H](c2ccccn2)C(F)(F)F)n1 ZINC001168477296 1128231811 /nfs/dbraw/zinc/23/18/11/1128231811.db2.gz ISKQTRWMUBVCMY-LBPRGKRZSA-N 0 1 281.281 3.809 20 0 CHADMN CCN(Cc1cccc(Cl)c1)Cc1cc(C)nnc1C ZINC000929280590 1128267680 /nfs/dbraw/zinc/26/76/80/1128267680.db2.gz WFMZYUHQZCFYSV-UHFFFAOYSA-N 0 1 289.810 3.769 20 0 CHADMN C[C@@H](OC(=O)[C@@H](C)C1CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000176579460 1128243384 /nfs/dbraw/zinc/24/33/84/1128243384.db2.gz UWMPPFBFXFFOAY-DTWKUNHWSA-N 0 1 292.766 3.867 20 0 CHADMN CCN(Cc1cc(C)nnc1C)[C@@H](C)c1ccc(F)cc1 ZINC000929333832 1128270326 /nfs/dbraw/zinc/27/03/26/1128270326.db2.gz RUDHAUSLASULQP-AWEZNQCLSA-N 0 1 287.382 3.816 20 0 CHADMN CC(C)CC[C@H](Nc1cnn(-c2ccncc2)c1)C1CC1 ZINC000670156316 1128271488 /nfs/dbraw/zinc/27/14/88/1128271488.db2.gz AQOGOVBDNNMBDS-KRWDZBQOSA-N 0 1 284.407 3.894 20 0 CHADMN CCc1ncc(CN(CC)Cc2ccc(C)cc2)o1 ZINC000929379909 1128271687 /nfs/dbraw/zinc/27/16/87/1128271687.db2.gz VHRSUKQERDBHPM-UHFFFAOYSA-N 0 1 258.365 3.568 20 0 CHADMN C[C@H]1CC2(CCC2)CN1Cn1ccc(-c2cccs2)n1 ZINC000762142014 1128273484 /nfs/dbraw/zinc/27/34/84/1128273484.db2.gz NRCJSRWDJWVQPA-ZDUSSCGKSA-N 0 1 287.432 3.834 20 0 CHADMN CC(C)(C)c1nc(CN2CC[C@@H](c3ccccc3)C2)co1 ZINC000929415420 1128273675 /nfs/dbraw/zinc/27/36/75/1128273675.db2.gz QAUKZUOQXBGQDE-OAHLLOKOSA-N 0 1 284.403 3.962 20 0 CHADMN CCCCCC[C@H](C)N1CCN(CC(F)(F)F)CC1 ZINC001257368727 1128277828 /nfs/dbraw/zinc/27/78/28/1128277828.db2.gz ODNGDJATBZPRTA-ZDUSSCGKSA-N 0 1 280.378 3.525 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CC[C@@H](c2ccccc2F)C1 ZINC000929597023 1128278968 /nfs/dbraw/zinc/27/89/68/1128278968.db2.gz CVGTYHIMCSPYJM-GXTWGEPZSA-N 0 1 288.341 3.910 20 0 CHADMN Cc1cc(CN2CCC(c3ccccc3F)CC2)c(C)nn1 ZINC000929674002 1128281670 /nfs/dbraw/zinc/28/16/70/1128281670.db2.gz WXNYIGXLJJURIM-UHFFFAOYSA-N 0 1 299.393 3.612 20 0 CHADMN CCc1ncc(CN2CCC[C@@H]2c2cccc(N(C)C)c2)o1 ZINC000929717434 1128283056 /nfs/dbraw/zinc/28/30/56/1128283056.db2.gz FHRIAHMHWLESTG-QGZVFWFLSA-N 0 1 299.418 3.640 20 0 CHADMN CCc1onc(C)c1CN1CCC[C@H]1c1cccc(C)n1 ZINC000929845813 1128290200 /nfs/dbraw/zinc/29/02/00/1128290200.db2.gz BSXCUZWIXQOBHY-INIZCTEOSA-N 0 1 285.391 3.586 20 0 CHADMN CCN(C(=O)c1cccc2[nH]ncc21)c1ccc(Cl)cc1 ZINC000915193346 1128290433 /nfs/dbraw/zinc/29/04/33/1128290433.db2.gz ONEFSCHSRXWISC-UHFFFAOYSA-N 0 1 299.761 3.883 20 0 CHADMN C[C@H]1CC/C(=C/C(=O)Nc2cccc(-c3cn[nH]c3)c2)C1 ZINC000762316638 1128290993 /nfs/dbraw/zinc/29/09/93/1128290993.db2.gz NEFRMGVFCIDSHM-OEMOTLHWSA-N 0 1 281.359 3.762 20 0 CHADMN Cc1cc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c(C)nn1 ZINC000929890023 1128291870 /nfs/dbraw/zinc/29/18/70/1128291870.db2.gz LVTUAYNNUQZMHQ-IBGZPJMESA-N 0 1 293.414 3.745 20 0 CHADMN C[C@H](c1ccccc1)N(Cc1cnn(CCF)c1)C1CC1 ZINC000929906251 1128292401 /nfs/dbraw/zinc/29/24/01/1128292401.db2.gz RIFVLNSTKICDHH-CQSZACIVSA-N 0 1 287.382 3.578 20 0 CHADMN Cc1nc(C)c(CN([C@@H](C)c2ccccc2)C2CC2)[nH]1 ZINC000929905860 1128292683 /nfs/dbraw/zinc/29/26/83/1128292683.db2.gz NIOVHPMOUIXOJA-ZDUSSCGKSA-N 0 1 269.392 3.752 20 0 CHADMN CCc1onc(C)c1CNC1(c2ccc(F)cc2)CCC1 ZINC000929954429 1128295855 /nfs/dbraw/zinc/29/58/55/1128295855.db2.gz IQXLHNJNTJBDCT-UHFFFAOYSA-N 0 1 288.366 3.854 20 0 CHADMN CCCCc1nc2ccc(NC(=O)[C@H]3CCC=CO3)cc2[nH]1 ZINC000777868412 1128298413 /nfs/dbraw/zinc/29/84/13/1128298413.db2.gz VKBFCWACHVXUKU-OAHLLOKOSA-N 0 1 299.374 3.537 20 0 CHADMN c1ccc2oc([C@@H]3CCCCN3CCOC3CC3)nc2c1 ZINC000930039877 1128298454 /nfs/dbraw/zinc/29/84/54/1128298454.db2.gz YZPHEMKCZGQOGZ-HNNXBMFYSA-N 0 1 286.375 3.534 20 0 CHADMN C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccccc1CF ZINC000930118355 1128302499 /nfs/dbraw/zinc/30/24/99/1128302499.db2.gz DKYYFDLJGIUOCU-ZDUSSCGKSA-N 0 1 258.340 3.744 20 0 CHADMN C[C@H](c1ccccn1)N(C)C[C@H]1CCCC2(CCC2)O1 ZINC000930120233 1128302550 /nfs/dbraw/zinc/30/25/50/1128302550.db2.gz ZTXDSUMDUVZUNY-HUUCEWRRSA-N 0 1 274.408 3.566 20 0 CHADMN CC(F)(F)CCCN1CCc2cc(F)ccc2C1 ZINC000930163891 1128303762 /nfs/dbraw/zinc/30/37/62/1128303762.db2.gz SAPYNQUUIFLPDJ-UHFFFAOYSA-N 0 1 257.299 3.619 20 0 CHADMN CCOc1ccc([C@H](C)N[C@@H](C)c2snnc2C)cc1 ZINC000930187905 1128305172 /nfs/dbraw/zinc/30/51/72/1128305172.db2.gz RNNNNDHTMICBPM-QWRGUYRKSA-N 0 1 291.420 3.657 20 0 CHADMN C[C@@H](NCCSc1ccncc1)c1c(F)cccc1F ZINC000930191505 1128305482 /nfs/dbraw/zinc/30/54/82/1128305482.db2.gz CDWFEFULTZVBQB-LLVKDONJSA-N 0 1 294.370 3.803 20 0 CHADMN Cc1cn(C)nc1CN[C@@H](CC(C)C)c1ccccc1C ZINC000930218096 1128308172 /nfs/dbraw/zinc/30/81/72/1128308172.db2.gz VJPOKEJZMHMOAW-KRWDZBQOSA-N 0 1 285.435 3.914 20 0 CHADMN CCc1onc(C)c1CNC(C)(C)c1cccc(F)c1 ZINC000930222563 1128308232 /nfs/dbraw/zinc/30/82/32/1128308232.db2.gz QBGTVGJGNYMDAT-UHFFFAOYSA-N 0 1 276.355 3.709 20 0 CHADMN CC(C)c1ccc2c(c1)CCCN2C(=O)c1ncccc1O ZINC000153607729 1128313552 /nfs/dbraw/zinc/31/35/52/1128313552.db2.gz GAZLDRBSRFKBIE-UHFFFAOYSA-N 0 1 296.370 3.504 20 0 CHADMN Fc1cc(F)c(-c2ccc(-c3nnc[nH]3)cc2)c(F)c1F ZINC001205180863 1129228339 /nfs/dbraw/zinc/22/83/39/1129228339.db2.gz YAAHHIQGMOUZMV-UHFFFAOYSA-N 0 1 293.223 3.695 20 0 CHADMN Cc1nc(CN2CCCC[C@@H]2CCC(C)C)co1 ZINC000660101298 1128316464 /nfs/dbraw/zinc/31/64/64/1128316464.db2.gz MRTCBOGJCSBCHT-OAHLLOKOSA-N 0 1 250.386 3.774 20 0 CHADMN CC[C@@H](NC(=O)c1cccc(F)c1O)c1ccc(F)cc1 ZINC001127373351 1128318276 /nfs/dbraw/zinc/31/82/76/1128318276.db2.gz UFHLQURPFPYYAY-CQSZACIVSA-N 0 1 291.297 3.552 20 0 CHADMN CCn1cc(CN([C@@H](C)c2ccccc2)C2CCCC2)nn1 ZINC000930434642 1128318831 /nfs/dbraw/zinc/31/88/31/1128318831.db2.gz DBJSDHUXCHEUQT-HNNXBMFYSA-N 0 1 298.434 3.804 20 0 CHADMN CCc1ncc(C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2)o1 ZINC000930473760 1128320146 /nfs/dbraw/zinc/32/01/46/1128320146.db2.gz BYJUIRFQEIOHAZ-CJNGLKHVSA-N 0 1 270.376 3.820 20 0 CHADMN CN(Cc1coc(C(C)(C)C)n1)C1CCC(F)(F)CC1 ZINC000930493765 1128321173 /nfs/dbraw/zinc/32/11/73/1128321173.db2.gz UIRWQNRKLYJFDY-UHFFFAOYSA-N 0 1 286.366 3.982 20 0 CHADMN CC(C)Oc1ccccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193624027 1128323477 /nfs/dbraw/zinc/32/34/77/1128323477.db2.gz ZUTDMOLBEKUKNZ-HNNXBMFYSA-N 0 1 299.418 3.577 20 0 CHADMN Clc1cccc(CC2(NCc3nccs3)CC2)c1 ZINC000648812140 1128323743 /nfs/dbraw/zinc/32/37/43/1128323743.db2.gz ZWKQJYKIPOIHNV-UHFFFAOYSA-N 0 1 278.808 3.661 20 0 CHADMN COC/C(C)=C\CN1CCC[C@H]1c1ccc(F)cc1F ZINC000930664899 1128330114 /nfs/dbraw/zinc/33/01/14/1128330114.db2.gz WKYNELGULFBZKV-FGLWMGOFSA-N 0 1 281.346 3.694 20 0 CHADMN CCC(=O)Nc1cccc(CN[C@H]2CCCc3occc32)c1 ZINC000562592562 1128412707 /nfs/dbraw/zinc/41/27/07/1128412707.db2.gz KBZSXEQSDJFLAQ-INIZCTEOSA-N 0 1 298.386 3.795 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CCC(c2ccco2)CC1 ZINC000930923601 1128340378 /nfs/dbraw/zinc/34/03/78/1128340378.db2.gz NWFCJVWRNVSGDJ-GFCCVEGCSA-N 0 1 274.339 3.754 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1nc(C(C)C)ns1 ZINC000930930446 1128340422 /nfs/dbraw/zinc/34/04/22/1128340422.db2.gz IBFZEICIBNPIDD-JTQLQIEISA-N 0 1 255.431 3.576 20 0 CHADMN Cc1ccccc1CN(C)Cc1ccc(Br)o1 ZINC000393477657 1128342059 /nfs/dbraw/zinc/34/20/59/1128342059.db2.gz GBUIDLDNPQYPKM-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN COc1cccc(C2(NCc3cc(C)cc(C)n3)CCC2)c1 ZINC000931062937 1128346184 /nfs/dbraw/zinc/34/61/84/1128346184.db2.gz CBOJOTBXKFZHFP-UHFFFAOYSA-N 0 1 296.414 3.876 20 0 CHADMN CC(F)(F)CCCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000931084592 1128346624 /nfs/dbraw/zinc/34/66/24/1128346624.db2.gz QPUHVNMJYCWFEJ-CYBMUJFWSA-N 0 1 268.351 3.900 20 0 CHADMN COc1ncc(CN2CCC23CCCCC3)cc1Cl ZINC001235697333 1128348866 /nfs/dbraw/zinc/34/88/66/1128348866.db2.gz QYRHVFGRRWEMGZ-UHFFFAOYSA-N 0 1 280.799 3.652 20 0 CHADMN CC1(C)CCC(C)(C)N(Cc2ccc(Cl)nn2)C1 ZINC000931164529 1128350326 /nfs/dbraw/zinc/35/03/26/1128350326.db2.gz APWFXOZLORMZNV-UHFFFAOYSA-N 0 1 267.804 3.531 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000931160655 1128350774 /nfs/dbraw/zinc/35/07/74/1128350774.db2.gz WNDMIWXAEHGCMD-GARJFASQSA-N 0 1 272.314 3.505 20 0 CHADMN COC/C(C)=C\CNC1(c2c(F)cccc2F)CCC1 ZINC000931338347 1128357692 /nfs/dbraw/zinc/35/76/92/1128357692.db2.gz QNXMGKNFBFHVCU-GHXNOFRVSA-N 0 1 281.346 3.526 20 0 CHADMN CC[C@@H](C)CN1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931389188 1128359846 /nfs/dbraw/zinc/35/98/46/1128359846.db2.gz HMDMHLYYGVGHCI-SJKOYZFVSA-N 0 1 287.382 3.542 20 0 CHADMN CC[C@@H](C)CCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000561893285 1128360266 /nfs/dbraw/zinc/36/02/66/1128360266.db2.gz CDBRZRDVNNAECN-SNVBAGLBSA-N 0 1 270.336 3.592 20 0 CHADMN C[C@@H](NCc1cccc(OC(F)F)c1)c1cccc(O)c1 ZINC000171766016 1128360656 /nfs/dbraw/zinc/36/06/56/1128360656.db2.gz RWBGZRQBJYBDEA-LLVKDONJSA-N 0 1 293.313 3.844 20 0 CHADMN Cc1nc(C(C)C)ccc1CN1CCC(c2ncco2)CC1 ZINC000931443912 1128362225 /nfs/dbraw/zinc/36/22/25/1128362225.db2.gz ICRUWUDHEGGPMV-UHFFFAOYSA-N 0 1 299.418 3.881 20 0 CHADMN Fc1ccc(/C=C\CN2CCOC3(CCCC3)C2)cc1F ZINC000561950175 1128364045 /nfs/dbraw/zinc/36/40/45/1128364045.db2.gz QJJZLERZPCABQR-ARJAWSKDSA-N 0 1 293.357 3.623 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000194203316 1128368799 /nfs/dbraw/zinc/36/87/99/1128368799.db2.gz HQQRKYMTKCRACC-RYUDHWBXSA-N 0 1 291.345 3.629 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000194203316 1128368804 /nfs/dbraw/zinc/36/88/04/1128368804.db2.gz HQQRKYMTKCRACC-RYUDHWBXSA-N 0 1 291.345 3.629 20 0 CHADMN CC(C)(C)[C@@H]1CSCCN1Cc1cnc(C2CC2)o1 ZINC000931592287 1128370447 /nfs/dbraw/zinc/37/04/47/1128370447.db2.gz JLZUVBYSZJRXEN-ZDUSSCGKSA-N 0 1 280.437 3.516 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1cc(C(C)(C)C)on1 ZINC000562030296 1128372865 /nfs/dbraw/zinc/37/28/65/1128372865.db2.gz ZSQGRKPGEPLHFL-CYBMUJFWSA-N 0 1 250.386 3.593 20 0 CHADMN CCCCC[C@@H](C)CC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000763198467 1128373513 /nfs/dbraw/zinc/37/35/13/1128373513.db2.gz QSSQREYPDSWNTG-CHWSQXEVSA-N 0 1 294.443 3.712 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H](c3nccs3)C2)c1F ZINC000931687524 1128376855 /nfs/dbraw/zinc/37/68/55/1128376855.db2.gz AYHYDXIXOHWPFG-LLVKDONJSA-N 0 1 294.370 3.719 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cccc2F)c1ccc(F)nc1 ZINC000931755898 1128380379 /nfs/dbraw/zinc/38/03/79/1128380379.db2.gz MKAMWVQYICLSDG-ZUZCIYMTSA-N 0 1 274.314 3.698 20 0 CHADMN CCc1c(NC(=O)CCC2(C)CC2)[nH]nc1-c1ccncc1 ZINC000931821786 1128382556 /nfs/dbraw/zinc/38/25/56/1128382556.db2.gz YYQDUXUHLWKUND-UHFFFAOYSA-N 0 1 298.390 3.553 20 0 CHADMN CC(C)[C@H]1c2ccccc2CCN1Cn1cccnc1=S ZINC000763238864 1128382823 /nfs/dbraw/zinc/38/28/23/1128382823.db2.gz ASQOTYXYRRWNEX-INIZCTEOSA-N 0 1 299.443 3.825 20 0 CHADMN C[C@@H]1C[C@@H](N[C@@H](c2ccccc2)c2ccccn2)CS1 ZINC000397824596 1128384850 /nfs/dbraw/zinc/38/48/50/1128384850.db2.gz LCRQSBBYFALSHJ-UNEWFSDZSA-N 0 1 284.428 3.655 20 0 CHADMN C[C@@H](CC(=O)Nc1cc(Cl)c(O)cc1F)C(F)(F)F ZINC000627236237 1128387478 /nfs/dbraw/zinc/38/74/78/1128387478.db2.gz PWGQZCGGZQROFV-YFKPBYRVSA-N 0 1 299.651 3.712 20 0 CHADMN Clc1cccnc1CN1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931923414 1128388190 /nfs/dbraw/zinc/38/81/90/1128388190.db2.gz OJUJYUBOYGJFBF-PBHICJAKSA-N 0 1 284.790 3.509 20 0 CHADMN c1ccc([C@]23C[C@H]2CN(Cc2nc4ccccc4o2)C3)cc1 ZINC000931932287 1128388426 /nfs/dbraw/zinc/38/84/26/1128388426.db2.gz XNAZPCFIBFKXLR-HNAYVOBHSA-N 0 1 290.366 3.601 20 0 CHADMN CC(C)(NCc1ccc(Cl)cn1)c1cccc(F)c1 ZINC000562268516 1128391960 /nfs/dbraw/zinc/39/19/60/1128391960.db2.gz BXFSEWCGMXPKTK-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN CC(C)(C)OC[C@@H]1CCCN1Cc1cncc(Cl)c1 ZINC000932168627 1128397632 /nfs/dbraw/zinc/39/76/32/1128397632.db2.gz QLZWXFDQQZUBGK-AWEZNQCLSA-N 0 1 282.815 3.515 20 0 CHADMN Cl/C=C/CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000932219039 1128400465 /nfs/dbraw/zinc/40/04/65/1128400465.db2.gz QCIJKBNZZFTDLT-QGQQYVBWSA-N 0 1 263.768 3.775 20 0 CHADMN CC(F)(F)CCN1CC[C@](F)(c2ccccc2)C1 ZINC000562709343 1128418526 /nfs/dbraw/zinc/41/85/26/1128418526.db2.gz CMRJPJUXRZTZMI-CQSZACIVSA-N 0 1 257.299 3.602 20 0 CHADMN Cc1cc(F)ccc1CN[C@H](c1ccccn1)C1CC1 ZINC000932384713 1128407087 /nfs/dbraw/zinc/40/70/87/1128407087.db2.gz WPRLSPREXHSRPZ-KRWDZBQOSA-N 0 1 270.351 3.770 20 0 CHADMN Clc1ccc(-c2cncc3nc[nH]c32)c(Cl)c1 ZINC001235963117 1128418029 /nfs/dbraw/zinc/41/80/29/1128418029.db2.gz OSEGWYHVHAWGTA-UHFFFAOYSA-N 0 1 264.115 3.932 20 0 CHADMN C[C@@H]1CN(Cc2cccc(F)c2)Cc2ccccc21 ZINC000916151291 1128410006 /nfs/dbraw/zinc/41/00/06/1128410006.db2.gz FCLBAMDVUWOUQV-CYBMUJFWSA-N 0 1 255.336 3.945 20 0 CHADMN CCOc1ccc(CN(Cc2ccccn2)CC(C)C)nc1 ZINC000932447161 1128410384 /nfs/dbraw/zinc/41/03/84/1128410384.db2.gz XKVMQLSGHDZPPT-UHFFFAOYSA-N 0 1 299.418 3.534 20 0 CHADMN Cc1ccc(F)c(C[N@@H+](C)Cc2ccc3[nH]cnc3c2)c1 ZINC000562580123 1128412012 /nfs/dbraw/zinc/41/20/12/1128412012.db2.gz XUUHPTQBEUMWBD-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN Cc1ccc(F)c(C[N@H+](C)Cc2ccc3nc[nH]c3c2)c1 ZINC000562580123 1128412013 /nfs/dbraw/zinc/41/20/13/1128412013.db2.gz XUUHPTQBEUMWBD-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN Cc1ccc(F)c(CN(C)Cc2ccc3[nH]cnc3c2)c1 ZINC000562580123 1128412016 /nfs/dbraw/zinc/41/20/16/1128412016.db2.gz XUUHPTQBEUMWBD-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN Cc1ccc(F)c(CN(C)Cc2ccc3nc[nH]c3c2)c1 ZINC000562580123 1128412017 /nfs/dbraw/zinc/41/20/17/1128412017.db2.gz XUUHPTQBEUMWBD-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN Cc1ccc(F)cc1CNCc1c(C)cccc1F ZINC000778093748 1128412518 /nfs/dbraw/zinc/41/25/18/1128412518.db2.gz QYLBTWPJMGZZSU-UHFFFAOYSA-N 0 1 261.315 3.871 20 0 CHADMN CC[C@@H](C)N1CCO[C@@](C)(c2ccc(Cl)cc2)C1 ZINC001257444158 1128419611 /nfs/dbraw/zinc/41/96/11/1128419611.db2.gz SNSOHTUWKQHEQA-IUODEOHRSA-N 0 1 267.800 3.686 20 0 CHADMN Clc1ccc(-c2cccc3[nH]nnc32)c(Cl)c1 ZINC001235964435 1128419781 /nfs/dbraw/zinc/41/97/81/1128419781.db2.gz ZNOOZQARWOHTEA-UHFFFAOYSA-N 0 1 264.115 3.932 20 0 CHADMN CC(C)(C)c1n[nH]cc1CNc1ccc2cnccc2c1 ZINC000562805112 1128420934 /nfs/dbraw/zinc/42/09/34/1128420934.db2.gz VMQYETSZJZNADI-UHFFFAOYSA-N 0 1 280.375 3.868 20 0 CHADMN CCC[C@H](C)CC[C@@H](C)NCc1nc(C(=O)OC)cs1 ZINC001257463124 1128443388 /nfs/dbraw/zinc/44/33/88/1128443388.db2.gz JJAFPWREJHVEJV-NWDGAFQWSA-N 0 1 298.452 3.624 20 0 CHADMN CCc1nnc(SC[C@@H]2[C@@H](c3ccccc3)C2(F)F)[nH]1 ZINC000916515330 1128422388 /nfs/dbraw/zinc/42/23/88/1128422388.db2.gz KHEIXCZDNJGFAO-ZYHUDNBSSA-N 0 1 295.358 3.508 20 0 CHADMN CCc1n[nH]c(SC[C@@H]2[C@@H](c3ccccc3)C2(F)F)n1 ZINC000916515330 1128422391 /nfs/dbraw/zinc/42/23/91/1128422391.db2.gz KHEIXCZDNJGFAO-ZYHUDNBSSA-N 0 1 295.358 3.508 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1CCCOc1c(C)cccc1C ZINC000496854691 1128424530 /nfs/dbraw/zinc/42/45/30/1128424530.db2.gz RXZJDYLPVFVZAT-DLBZAZTESA-N 0 1 291.435 3.572 20 0 CHADMN Fc1cc(CN2CC[C@H](c3ccccn3)C2)ccc1Cl ZINC000798963483 1128425086 /nfs/dbraw/zinc/42/50/86/1128425086.db2.gz FPVLSDZDQYMJSU-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN C[C@H](N[C@H]1CCCC[C@H]1C)c1noc(-c2ccccc2)n1 ZINC000124417969 1128443688 /nfs/dbraw/zinc/44/36/88/1128443688.db2.gz BWLFTECTEZGATD-IPYPFGDCSA-N 0 1 285.391 3.966 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc(F)c1O ZINC000932920809 1128426846 /nfs/dbraw/zinc/42/68/46/1128426846.db2.gz GCHICTOWODTJON-OCCSQVGLSA-N 0 1 299.345 3.550 20 0 CHADMN CN(CCC(C)(C)C)CC(=O)Nc1cccc(Cl)c1 ZINC000496964959 1128430018 /nfs/dbraw/zinc/43/00/18/1128430018.db2.gz CGJIHQZFSMSUFV-UHFFFAOYSA-N 0 1 282.815 3.647 20 0 CHADMN Clc1ccc2c(c1)[C@H](NCc1ccccn1)CC2 ZINC000763390105 1128430935 /nfs/dbraw/zinc/43/09/35/1128430935.db2.gz RQUMSBJHFALRSK-OAHLLOKOSA-N 0 1 258.752 3.512 20 0 CHADMN CCC(C)(C)N(C)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000933148934 1128431218 /nfs/dbraw/zinc/43/12/18/1128431218.db2.gz FTZYZCMSURFNHG-UHFFFAOYSA-N 0 1 292.423 3.526 20 0 CHADMN C[C@H](NCc1ccc(F)nc1)c1ccccc1OC(F)F ZINC000778155879 1128431296 /nfs/dbraw/zinc/43/12/96/1128431296.db2.gz KNGCGGPYUWFWRS-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN CC(C)C[N@H+](Cc1cccc([O-])c1Cl)C(C)C ZINC000328495064 1128432412 /nfs/dbraw/zinc/43/24/12/1128432412.db2.gz UGDMMOJWXMKCMC-UHFFFAOYSA-N 0 1 255.789 3.912 20 0 CHADMN CC(C)C[N@@H+](Cc1cccc([O-])c1Cl)C(C)C ZINC000328495064 1128432414 /nfs/dbraw/zinc/43/24/14/1128432414.db2.gz UGDMMOJWXMKCMC-UHFFFAOYSA-N 0 1 255.789 3.912 20 0 CHADMN COc1ccc([C@H](C)NCc2ccccc2C)c(F)c1 ZINC000037719063 1128434977 /nfs/dbraw/zinc/43/49/77/1128434977.db2.gz AQKBZBLWHGHECM-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@H](C)c1ccc2c(c1)CCO2 ZINC000933487100 1128436544 /nfs/dbraw/zinc/43/65/44/1128436544.db2.gz LLLUBEQAMOJWKQ-CYBMUJFWSA-N 0 1 299.418 3.558 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(F)nc2)ccc1F ZINC000778177268 1128436785 /nfs/dbraw/zinc/43/67/85/1128436785.db2.gz SWRUUHMLPAAZES-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN COc1c(C)cnc(CNC2(c3ccccc3)CCC2)c1C ZINC000171792073 1128437018 /nfs/dbraw/zinc/43/70/18/1128437018.db2.gz JBTPSEHYKSXEFG-UHFFFAOYSA-N 0 1 296.414 3.876 20 0 CHADMN c1cc(CN2CCC[C@]3(C=Cc4ccccc4O3)C2)sn1 ZINC000933655009 1128439703 /nfs/dbraw/zinc/43/97/03/1128439703.db2.gz HWNKFGDERVKZHE-KRWDZBQOSA-N 0 1 298.411 3.584 20 0 CHADMN c1sc(C2CC2)nc1CN1CCCSC[C@@H]1C1CC1 ZINC000933916251 1128447503 /nfs/dbraw/zinc/44/75/03/1128447503.db2.gz WWARHCSHMCMWJO-CQSZACIVSA-N 0 1 294.489 3.738 20 0 CHADMN Clc1ncc(CN2CCCSC[C@H]2C2CC2)s1 ZINC000933915295 1128447520 /nfs/dbraw/zinc/44/75/20/1128447520.db2.gz VGRJRRBFGYOKCL-NSHDSACASA-N 0 1 288.869 3.514 20 0 CHADMN CC[C@H]1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000125382382 1128448762 /nfs/dbraw/zinc/44/87/62/1128448762.db2.gz CGBNFWNLOXRASK-NSHDSACASA-N 0 1 291.782 3.622 20 0 CHADMN O=C(NC1CCCCCCC1)c1cc(F)cc2nc[nH]c21 ZINC000916732794 1128453287 /nfs/dbraw/zinc/45/32/87/1128453287.db2.gz XXUFBHXGXIQEGZ-UHFFFAOYSA-N 0 1 289.354 3.545 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000563124750 1128451050 /nfs/dbraw/zinc/45/10/50/1128451050.db2.gz LCNXJUGIBMHAKV-HBUWYVDXSA-N 0 1 297.398 3.943 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(Br)s1 ZINC000125699333 1128451323 /nfs/dbraw/zinc/45/13/23/1128451323.db2.gz ZLXHVHIWIBSNES-DTWKUNHWSA-N 0 1 274.227 3.741 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1ccc(Br)s1 ZINC000125699333 1128451325 /nfs/dbraw/zinc/45/13/25/1128451325.db2.gz ZLXHVHIWIBSNES-DTWKUNHWSA-N 0 1 274.227 3.741 20 0 CHADMN CC[C@@H](c1ccccc1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000126698644 1128465474 /nfs/dbraw/zinc/46/54/74/1128465474.db2.gz WHZIOMSWQOMNGV-OALUTQOASA-N 0 1 297.398 3.917 20 0 CHADMN CSCC(C)(C)NCc1coc(-c2cccc(F)c2)n1 ZINC000934679194 1128465941 /nfs/dbraw/zinc/46/59/41/1128465941.db2.gz TWEAXUJPKRFLPM-UHFFFAOYSA-N 0 1 294.395 3.712 20 0 CHADMN COc1ccc(C)cc1CN[C@@H](c1ccncc1)C1CC1 ZINC000934689606 1128466354 /nfs/dbraw/zinc/46/63/54/1128466354.db2.gz PPEAALBHQXXFKV-GOSISDBHSA-N 0 1 282.387 3.640 20 0 CHADMN CCC(C)(C)NC(=O)CN1CCC(C2CCCCC2)CC1 ZINC000917059962 1128472345 /nfs/dbraw/zinc/47/23/45/1128472345.db2.gz NEVYEMVHTNLMBV-UHFFFAOYSA-N 0 1 294.483 3.584 20 0 CHADMN O=C(C[C@@H]1CCCC1(F)F)Nc1cccc(Cl)c1O ZINC000935108163 1128479263 /nfs/dbraw/zinc/47/92/63/1128479263.db2.gz LYUCEXZELJQMCF-QMMMGPOBSA-N 0 1 289.709 3.810 20 0 CHADMN FC(F)(F)CCCC[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000563708644 1128476206 /nfs/dbraw/zinc/47/62/06/1128476206.db2.gz OPTXGMHSYJYCFY-AWEZNQCLSA-N 0 1 287.325 3.872 20 0 CHADMN CCn1nccc1CN(Cc1ccc(F)cc1)C(C)(C)C ZINC000127401092 1128477153 /nfs/dbraw/zinc/47/71/53/1128477153.db2.gz HDDHILYDKKSBHL-UHFFFAOYSA-N 0 1 289.398 3.843 20 0 CHADMN c1cc2cc(NCc3nc(C4CCCC4)no3)ccc2cn1 ZINC000563785171 1128478557 /nfs/dbraw/zinc/47/85/57/1128478557.db2.gz FJOVVURKQUSBGQ-UHFFFAOYSA-N 0 1 294.358 3.888 20 0 CHADMN C[N@@H+](Cc1ncc(-c2cccs2)o1)CC(C)(C)C ZINC000067379549 1128483515 /nfs/dbraw/zinc/48/35/15/1128483515.db2.gz KCTSUDNFDJACEI-UHFFFAOYSA-N 0 1 264.394 3.881 20 0 CHADMN CN(Cc1ncc(-c2cccs2)o1)CC(C)(C)C ZINC000067379549 1128483518 /nfs/dbraw/zinc/48/35/18/1128483518.db2.gz KCTSUDNFDJACEI-UHFFFAOYSA-N 0 1 264.394 3.881 20 0 CHADMN Cc1ccc(CCN[C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000127937734 1128483923 /nfs/dbraw/zinc/48/39/23/1128483923.db2.gz UUZHUNGSMNLMEZ-SFHVURJKSA-N 0 1 291.398 3.640 20 0 CHADMN CCOc1ccc(CN(C)[C@H](C)c2ccco2)cc1 ZINC000128205898 1128488752 /nfs/dbraw/zinc/48/87/52/1128488752.db2.gz WANFNIOBCDJMPH-CYBMUJFWSA-N 0 1 259.349 3.871 20 0 CHADMN CC(C)CCCN(C)CC(=O)Nc1ccccc1Cl ZINC000778367990 1128497676 /nfs/dbraw/zinc/49/76/76/1128497676.db2.gz WGRGLOCNONJWRC-UHFFFAOYSA-N 0 1 282.815 3.647 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C[C@H]1CCCC1(F)F ZINC000935613289 1128496037 /nfs/dbraw/zinc/49/60/37/1128496037.db2.gz BQJROUFLHJNSKQ-LLVKDONJSA-N 0 1 293.317 3.635 20 0 CHADMN CCC(C)(C)CNC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000935642690 1128496721 /nfs/dbraw/zinc/49/67/21/1128496721.db2.gz HGHACGDIWYEWAM-UHFFFAOYSA-N 0 1 295.333 3.667 20 0 CHADMN Cc1ccc([C@H](C)[N@@H+](C)Cc2ccccc2C(=O)[O-])cc1 ZINC000564218003 1128498604 /nfs/dbraw/zinc/49/86/04/1128498604.db2.gz KDRNLMKSALTGGI-AWEZNQCLSA-N 0 1 283.371 3.886 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](C)c2ccccc2N(C)C)s1 ZINC000631707188 1128499435 /nfs/dbraw/zinc/49/94/35/1128499435.db2.gz FJHPWOYHWUMEJH-NWDGAFQWSA-N 0 1 289.448 3.929 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2ccccc2N(C)C)s1 ZINC000631707178 1128499527 /nfs/dbraw/zinc/49/95/27/1128499527.db2.gz FJHPWOYHWUMEJH-NEPJUHHUSA-N 0 1 289.448 3.929 20 0 CHADMN CCN(Cn1ccn(C(C)C)c1=S)C1CCCC1 ZINC000917464959 1128500830 /nfs/dbraw/zinc/50/08/30/1128500830.db2.gz GWYHDEQEZQBRSA-UHFFFAOYSA-N 0 1 267.442 3.822 20 0 CHADMN CCN(CC(C)C)Cn1c2ccccc2n(C)c1=S ZINC000917454521 1128501123 /nfs/dbraw/zinc/50/11/23/1128501123.db2.gz QSQVNMCHFQHBQY-UHFFFAOYSA-N 0 1 277.437 3.645 20 0 CHADMN Cc1nc(SC[C@@H]2CC(C)=NO2)[nH]c1-c1ccccc1 ZINC000917517961 1128503237 /nfs/dbraw/zinc/50/32/37/1128503237.db2.gz RCIQMUMVGOOJEH-ZDUSSCGKSA-N 0 1 287.388 3.642 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cncs2)cc1F ZINC000128605716 1128506830 /nfs/dbraw/zinc/50/68/30/1128506830.db2.gz SFRPGHHGTMWSBO-ZJUUUORDSA-N 0 1 280.368 3.703 20 0 CHADMN CC(C)Cc1ncc(CN2CC(C)(C)[C@@H]2C2CC2)s1 ZINC000564506775 1128511242 /nfs/dbraw/zinc/51/12/42/1128511242.db2.gz SXCPEUYBJKYUBY-HNNXBMFYSA-N 0 1 278.465 3.962 20 0 CHADMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)C1=CCCC1 ZINC000128716510 1128513254 /nfs/dbraw/zinc/51/32/54/1128513254.db2.gz ACNWRAQQFAGRDZ-UHFFFAOYSA-N 0 1 293.326 3.872 20 0 CHADMN Cc1cncc(NCc2nc(C(C)C)n3ccccc23)c1 ZINC000564732715 1128514711 /nfs/dbraw/zinc/51/47/11/1128514711.db2.gz VOYWZZJSNIKLLV-UHFFFAOYSA-N 0 1 280.375 3.773 20 0 CHADMN CCC(CC)C[N@@H+](CC)[C@@H](C(=O)[O-])c1ccsc1 ZINC000564738736 1128515076 /nfs/dbraw/zinc/51/50/76/1128515076.db2.gz NKISVOPUSFKTSF-CYBMUJFWSA-N 0 1 269.410 3.632 20 0 CHADMN CCOc1cccc(Cl)c1CN1CC[C@@H](OC)C[C@H]1C ZINC000565162809 1128520640 /nfs/dbraw/zinc/52/06/40/1128520640.db2.gz IQPWCIAEGICNDL-CHWSQXEVSA-N 0 1 297.826 3.738 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccc3[nH]ccc3c2)n[nH]1 ZINC000565218523 1128521309 /nfs/dbraw/zinc/52/13/09/1128521309.db2.gz RPAGFDCMQIMHEW-VXGBXAGGSA-N 0 1 297.406 3.650 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000917898558 1128524793 /nfs/dbraw/zinc/52/47/93/1128524793.db2.gz QZRDGOUQKLEXLQ-UHFFFAOYSA-N 0 1 291.354 3.891 20 0 CHADMN CCCC1CCC(N(C)Cc2nnc(C3CC3)o2)CC1 ZINC000567165098 1128559242 /nfs/dbraw/zinc/55/92/42/1128559242.db2.gz SFZUDWQCWVPMSY-UHFFFAOYSA-N 0 1 277.412 3.738 20 0 CHADMN CC(=O)c1cc(CN2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)on1 ZINC000565607153 1128529118 /nfs/dbraw/zinc/52/91/18/1128529118.db2.gz NYBNAAPOGLLPKK-BBRMVZONSA-N 0 1 298.386 3.564 20 0 CHADMN Cc1ccc(C[C@@H](C)N(C)C(=O)c2cc(C(C)C)[nH]n2)cc1 ZINC000129944783 1128559676 /nfs/dbraw/zinc/55/96/76/1128559676.db2.gz YOBINBZJILZXCP-CQSZACIVSA-N 0 1 299.418 3.545 20 0 CHADMN CCCc1csc(C[N@@H+](C)[C@H](C)C(C)(C)C)n1 ZINC000565693364 1128531009 /nfs/dbraw/zinc/53/10/09/1128531009.db2.gz MAFUAXHYHOXOJB-LLVKDONJSA-N 0 1 254.443 3.962 20 0 CHADMN CCCc1csc(CN(C)[C@H](C)C(C)(C)C)n1 ZINC000565693364 1128531010 /nfs/dbraw/zinc/53/10/10/1128531010.db2.gz MAFUAXHYHOXOJB-LLVKDONJSA-N 0 1 254.443 3.962 20 0 CHADMN Cc1cccc(CCC[N@H+](C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000565721733 1128531412 /nfs/dbraw/zinc/53/14/12/1128531412.db2.gz UPOBZAZEONOYJG-UHFFFAOYSA-N 0 1 297.398 3.758 20 0 CHADMN c1ccc2c(C[N@H+]3CCC[C@H]3c3ccncc3)ccnc2c1 ZINC000567200419 1128559659 /nfs/dbraw/zinc/55/96/59/1128559659.db2.gz GFLYBCKVMBCCJW-IBGZPJMESA-N 0 1 289.382 3.967 20 0 CHADMN CC[N@@H+](Cc1cccc(F)c1)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000565780479 1128532630 /nfs/dbraw/zinc/53/26/30/1128532630.db2.gz XZMVJROUWGIHTN-NSHDSACASA-N 0 1 291.322 3.700 20 0 CHADMN CC(C)C[N@@H+](Cc1cc(C(C)(C)C)on1)C(C)C ZINC000567201667 1128559841 /nfs/dbraw/zinc/55/98/41/1128559841.db2.gz HGQGHILXNGXUBO-UHFFFAOYSA-N 0 1 252.402 3.839 20 0 CHADMN CC(C)c1scnc1NC(=O)c1ccc(Cl)cc1O ZINC000565980288 1128535537 /nfs/dbraw/zinc/53/55/37/1128535537.db2.gz ZEHMPINAMOCZMM-UHFFFAOYSA-N 0 1 296.779 3.878 20 0 CHADMN Cc1ccc2oc(CN[C@H](C)c3cnc(C)nc3C)cc2c1 ZINC000565961136 1128535844 /nfs/dbraw/zinc/53/58/44/1128535844.db2.gz AHVJFXZGKTVXFC-GFCCVEGCSA-N 0 1 295.386 3.999 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000566015341 1128536333 /nfs/dbraw/zinc/53/63/33/1128536333.db2.gz SBSNWEURCADEOG-KRWDZBQOSA-N 0 1 289.419 3.901 20 0 CHADMN Cc1c(CN(C)[C@H]2CCc3c2cccc3Cl)cnn1C ZINC000566049098 1128537890 /nfs/dbraw/zinc/53/78/90/1128537890.db2.gz GREWUYMSNBIIHB-INIZCTEOSA-N 0 1 289.810 3.501 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])c(C)o1 ZINC000566073999 1128538056 /nfs/dbraw/zinc/53/80/56/1128538056.db2.gz KSXAYVLFXRQQSF-XHDPSFHLSA-N 0 1 279.380 3.687 20 0 CHADMN F[C@@H]1CCC[C@@H](NCc2ncc(C(F)(F)F)s2)C1 ZINC000566217509 1128539693 /nfs/dbraw/zinc/53/96/93/1128539693.db2.gz RKJBEWCWBPMRBS-HTQZYQBOSA-N 0 1 282.306 3.532 20 0 CHADMN Fc1cc(CNCc2cccnc2)cc(C(F)(F)F)c1 ZINC000129418721 1128539948 /nfs/dbraw/zinc/53/99/48/1128539948.db2.gz SWNIFKWWRZPMRD-UHFFFAOYSA-N 0 1 284.256 3.529 20 0 CHADMN Cc1cc([C@H](C)NCc2ccnn2C(C)C)c(C)o1 ZINC000337201042 1128542239 /nfs/dbraw/zinc/54/22/39/1128542239.db2.gz FOCCGROZQLTGEM-LBPRGKRZSA-N 0 1 261.369 3.525 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CCc1ccc2ccccc2c1 ZINC000566360423 1128542404 /nfs/dbraw/zinc/54/24/04/1128542404.db2.gz PRDLOCUWGZWBJK-SFHVURJKSA-N 0 1 299.414 3.813 20 0 CHADMN CC1(C)C[C@@H](c2ccccc2)[N@@H+](CC2(CC(=O)[O-])CC2)C1 ZINC000566360983 1128542502 /nfs/dbraw/zinc/54/25/02/1128542502.db2.gz DFFIODBSSVYXME-HNNXBMFYSA-N 0 1 287.403 3.715 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)CC1(C)C ZINC000566361681 1128542525 /nfs/dbraw/zinc/54/25/25/1128542525.db2.gz MAMGOQVDFBUCKD-NSHDSACASA-N 0 1 295.810 3.906 20 0 CHADMN CCC(C)(C)c1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000566353368 1128542856 /nfs/dbraw/zinc/54/28/56/1128542856.db2.gz AIFHNFXNQZMTQI-MRXNPFEDSA-N 0 1 289.419 3.813 20 0 CHADMN CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000566358311 1128542875 /nfs/dbraw/zinc/54/28/75/1128542875.db2.gz HEVGJERILGVOIT-LBPRGKRZSA-N 0 1 281.421 3.847 20 0 CHADMN COc1cc([C@H](C)N[C@@H]2CSc3ccccc32)ccn1 ZINC000567224746 1128560554 /nfs/dbraw/zinc/56/05/54/1128560554.db2.gz WKZFOJXTDWFEGL-SMDDNHRTSA-N 0 1 286.400 3.588 20 0 CHADMN Cc1oncc1CN1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000129658241 1128547292 /nfs/dbraw/zinc/54/72/92/1128547292.db2.gz HSIFFRFUNQNXCU-UHFFFAOYSA-N 0 1 282.387 3.889 20 0 CHADMN Cc1cccc([C@H]2CCCC[N@H+]2CC2(C(=O)[O-])CC2)c1C ZINC000566625141 1128547933 /nfs/dbraw/zinc/54/79/33/1128547933.db2.gz IWYIVZQWQNAMNQ-MRXNPFEDSA-N 0 1 287.403 3.695 20 0 CHADMN Cc1cc(C(C#N)C(=O)CCC2CCCCC2)nc(C)n1 ZINC000041573998 1128547985 /nfs/dbraw/zinc/54/79/85/1128547985.db2.gz DNPVFLYVLAAKHQ-HNNXBMFYSA-N 0 1 285.391 3.630 20 0 CHADMN Fc1ccc(CN2CCC=C(c3ccccn3)C2)cc1 ZINC000566657333 1128548987 /nfs/dbraw/zinc/54/89/87/1128548987.db2.gz QYAUFTXRBUQZRQ-UHFFFAOYSA-N 0 1 268.335 3.510 20 0 CHADMN CCC(C)(C)[N@@H+](C)Cc1cc2c(cc1Cl)OCCO2 ZINC000566701821 1128549835 /nfs/dbraw/zinc/54/98/35/1128549835.db2.gz LWLOCKGHUSHAOQ-UHFFFAOYSA-N 0 1 283.799 3.732 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1nc(C(C)(C)C)cs1 ZINC000566776782 1128551331 /nfs/dbraw/zinc/55/13/31/1128551331.db2.gz LMCURKWEQOZCNU-JTQLQIEISA-N 0 1 252.427 3.671 20 0 CHADMN CN(Cc1ccc(Cl)cn1)C1CC(OC(C)(C)C)C1 ZINC000566908442 1128554350 /nfs/dbraw/zinc/55/43/50/1128554350.db2.gz WEQHCBADOGTHOZ-UHFFFAOYSA-N 0 1 282.815 3.513 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1occc1C(=O)[O-] ZINC000566979306 1128555117 /nfs/dbraw/zinc/55/51/17/1128555117.db2.gz SIRDOPRDYXOVNT-UKRRQHHQSA-N 0 1 299.370 3.746 20 0 CHADMN Cc1oncc1CN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000129740077 1128555189 /nfs/dbraw/zinc/55/51/89/1128555189.db2.gz GADCSTSTAZVEAK-LBPRGKRZSA-N 0 1 274.364 3.621 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@H](C)c2cncc(F)c2)s1 ZINC000129820017 1128557397 /nfs/dbraw/zinc/55/73/97/1128557397.db2.gz JYIBBOKFSGUXLL-BDAKNGLRSA-N 0 1 279.384 3.706 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000567470864 1128565317 /nfs/dbraw/zinc/56/53/17/1128565317.db2.gz RYOLTQYFCWMJJO-KCPJHIHWSA-N 0 1 295.810 3.834 20 0 CHADMN CC(C)c1nc(CN(CC(F)F)C2CC2)c2ccccn21 ZINC000567477040 1128565491 /nfs/dbraw/zinc/56/54/91/1128565491.db2.gz AQGORBDZNFKOBR-UHFFFAOYSA-N 0 1 293.361 3.687 20 0 CHADMN Cc1cc(F)ccc1[C@@H]1CCCN1Cc1ccc(CO)o1 ZINC000567558095 1128566836 /nfs/dbraw/zinc/56/68/36/1128566836.db2.gz SKZDABOKMLMIHJ-KRWDZBQOSA-N 0 1 289.350 3.557 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNCc2ccc3cnn(C)c3c2)o1 ZINC000567555081 1128566853 /nfs/dbraw/zinc/56/68/53/1128566853.db2.gz UKEAKEVWANANFZ-LRDDRELGSA-N 0 1 295.386 3.580 20 0 CHADMN Cc1cc(F)ccc1[C@H]1CCCN1Cc1ccc(CO)o1 ZINC000567558096 1128567431 /nfs/dbraw/zinc/56/74/31/1128567431.db2.gz SKZDABOKMLMIHJ-QGZVFWFLSA-N 0 1 289.350 3.557 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccc(F)cc1OC(F)F ZINC000556259496 1128570512 /nfs/dbraw/zinc/57/05/12/1128570512.db2.gz GUIKXPJQXLCDBI-JFUSQASVSA-N 0 1 291.288 3.968 20 0 CHADMN Cc1ccc2c(Cc3nc([C@H](N)CC(C)C)no3)coc2c1 ZINC000567852069 1128572724 /nfs/dbraw/zinc/57/27/24/1128572724.db2.gz LOOYNLRSVKFCRI-CQSZACIVSA-N 0 1 299.374 3.761 20 0 CHADMN Cc1cccc2nc(CNC(=O)CC3(C)CCCCC3)[nH]c21 ZINC000498406095 1128573374 /nfs/dbraw/zinc/57/33/74/1128573374.db2.gz NBMMWOUGDCEROU-UHFFFAOYSA-N 0 1 299.418 3.848 20 0 CHADMN Cc1c2ccccc2nc(C[N@@H+]2[C@H](C)CC[C@@H]2C)c1C(=O)[O-] ZINC000568067289 1128576759 /nfs/dbraw/zinc/57/67/59/1128576759.db2.gz QYJITPFPDHXCNG-TXEJJXNPSA-N 0 1 298.386 3.614 20 0 CHADMN CCCc1nc(C)c(CN2CCC=C(c3ccccn3)C2)o1 ZINC000568177427 1128579278 /nfs/dbraw/zinc/57/92/78/1128579278.db2.gz VLWXMWCXZNBTBZ-UHFFFAOYSA-N 0 1 297.402 3.620 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccccc1-c1ccccc1 ZINC000070982570 1128581469 /nfs/dbraw/zinc/58/14/69/1128581469.db2.gz IYTIHCHEZFSZRR-UHFFFAOYSA-N 0 1 277.327 3.637 20 0 CHADMN O=C([O-])[C@H]1CC[C@@H](c2ccccc2)[N@H+]1CC12CCC(CC1)C2 ZINC000568296446 1128582139 /nfs/dbraw/zinc/58/21/39/1128582139.db2.gz JZTWIQAHAMTKBX-OGFXQLCQSA-N 0 1 299.414 3.857 20 0 CHADMN CC(C)c1ccc([C@@H]2CCCN2Cc2ccnn2C)cc1 ZINC000130417750 1128582324 /nfs/dbraw/zinc/58/23/24/1128582324.db2.gz GRODEVQIYHFLNK-SFHVURJKSA-N 0 1 283.419 3.881 20 0 CHADMN CC(C)c1ccc(CN(Cc2cnn(C)c2)C2CC2)cc1 ZINC000071122440 1128583167 /nfs/dbraw/zinc/58/31/67/1128583167.db2.gz NXQSLNJPALMECI-UHFFFAOYSA-N 0 1 283.419 3.708 20 0 CHADMN CCCC[C@H](CC)CCNC(C)(C)c1nc(C)no1 ZINC000556409567 1128587193 /nfs/dbraw/zinc/58/71/93/1128587193.db2.gz FIEHEPGBFPMRHN-ZDUSSCGKSA-N 0 1 267.417 3.809 20 0 CHADMN Cc1cc(C)nc(Nc2ccc(CO)c(C(F)(F)F)c2)c1 ZINC001214673277 1128587749 /nfs/dbraw/zinc/58/77/49/1128587749.db2.gz VTQAYUMJNAAAPO-UHFFFAOYSA-N 0 1 296.292 3.953 20 0 CHADMN CCN(C(=O)c1cc(-c2cccs2)[nH]n1)C1CCCC1 ZINC000131341234 1128615164 /nfs/dbraw/zinc/61/51/64/1128615164.db2.gz JSAXHXVJRPURFQ-UHFFFAOYSA-N 0 1 289.404 3.543 20 0 CHADMN Cc1oc([C@@H](C)[N@@H+](C)Cc2ccccc2C)cc1C(=O)[O-] ZINC000568890938 1128593813 /nfs/dbraw/zinc/59/38/13/1128593813.db2.gz NUHDWQKDFXXHEX-GFCCVEGCSA-N 0 1 287.359 3.788 20 0 CHADMN Cc1ccc(C)c([C@H](C)N(C)Cc2cnc3cnccn23)c1 ZINC000131361980 1128615583 /nfs/dbraw/zinc/61/55/83/1128615583.db2.gz NJNIVKFSZDGFTC-HNNXBMFYSA-N 0 1 294.402 3.539 20 0 CHADMN CCC[C@@H](C[N@H+]1CCC[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000569092610 1128598543 /nfs/dbraw/zinc/59/85/43/1128598543.db2.gz WDMAEYWLTGUHMJ-WBVHZDCISA-N 0 1 289.419 3.757 20 0 CHADMN C/C=C\c1ccc(NC(=O)[C@@H]2CCCCN2CC)cc1 ZINC000569143611 1128599186 /nfs/dbraw/zinc/59/91/86/1128599186.db2.gz HBBSZNXGAKSNRE-QTONRWBISA-N 0 1 272.392 3.533 20 0 CHADMN CC(C)(C)OC1CC(N2CC[C@](F)(c3ccccc3)C2)C1 ZINC000569315820 1128604339 /nfs/dbraw/zinc/60/43/39/1128604339.db2.gz XDZDORJDGIGDNR-LEOMRAHMSA-N 0 1 291.410 3.903 20 0 CHADMN C[C@@H](O)C[C@H]1CCCN1Cc1csc(C2CCCC2)n1 ZINC000152622591 1128604937 /nfs/dbraw/zinc/60/49/37/1128604937.db2.gz BUEZBLMTYSSUPQ-IUODEOHRSA-N 0 1 294.464 3.536 20 0 CHADMN COc1cccc(F)c1[C@H](C)NC[C@@H](C)C(F)(F)F ZINC000569834621 1128610726 /nfs/dbraw/zinc/61/07/26/1128610726.db2.gz APBQTFHLQZPQIR-BDAKNGLRSA-N 0 1 279.277 3.683 20 0 CHADMN CCN(C(=O)c1[nH]nc2ccccc21)[C@@H]1CCCC[C@@H]1C ZINC000170773914 1128616541 /nfs/dbraw/zinc/61/65/41/1128616541.db2.gz KFGONDKOMMPJMK-SWLSCSKDSA-N 0 1 285.391 3.604 20 0 CHADMN CCC(CC)N(C(=O)c1cccc2[nH]c(C)nc21)C1CC1 ZINC000569943472 1128612859 /nfs/dbraw/zinc/61/28/59/1128612859.db2.gz LIKPBTYFDQHYCD-UHFFFAOYSA-N 0 1 285.391 3.665 20 0 CHADMN Cc1ccc(C[N@@H+](CCCCCC(=O)[O-])C2CC2)cc1C ZINC000570168815 1128617649 /nfs/dbraw/zinc/61/76/49/1128617649.db2.gz NNGSXFSXULTQNV-UHFFFAOYSA-N 0 1 289.419 3.913 20 0 CHADMN CCCCN(C)[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000072513275 1128619335 /nfs/dbraw/zinc/61/93/35/1128619335.db2.gz XYTQXORNXCHNEJ-CYBMUJFWSA-N 0 1 273.380 3.838 20 0 CHADMN Cc1cnc(CNC/C=C/c2ccc(F)c(F)c2)s1 ZINC000570350747 1128621837 /nfs/dbraw/zinc/62/18/37/1128621837.db2.gz SBCFEYPSTRFWMX-NSCUHMNNSA-N 0 1 280.343 3.533 20 0 CHADMN Cc1cccc([C@H](C)N(C)CC(=O)Nc2ccccc2)c1 ZINC000072561938 1128622783 /nfs/dbraw/zinc/62/27/83/1128622783.db2.gz VCGBZDXRNAUTHF-HNNXBMFYSA-N 0 1 282.387 3.627 20 0 CHADMN CCCCCN(C(=O)c1cc(C)cc2c[nH]nc21)C(C)C ZINC000570465760 1128624347 /nfs/dbraw/zinc/62/43/47/1128624347.db2.gz PYUVPNWWSSCWEQ-UHFFFAOYSA-N 0 1 287.407 3.912 20 0 CHADMN Cc1noc(C(C)(C)NCCC2C[C@H](C)C[C@@H](C)C2)n1 ZINC000570469063 1128624543 /nfs/dbraw/zinc/62/45/43/1128624543.db2.gz VGRNGTAXSXVQRW-VXGBXAGGSA-N 0 1 279.428 3.665 20 0 CHADMN CC[C@@H](C)CN(C)Cc1nc2ccccc2n1C(F)F ZINC000072630861 1128626466 /nfs/dbraw/zinc/62/64/66/1128626466.db2.gz UEMRVWKTSKMTER-LLVKDONJSA-N 0 1 281.350 3.909 20 0 CHADMN Cc1n[nH]cc1CN[C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000570596870 1128627586 /nfs/dbraw/zinc/62/75/86/1128627586.db2.gz OIHLGDFILTWDIQ-OAHLLOKOSA-N 0 1 295.789 3.998 20 0 CHADMN CCOc1cc(CNCc2cc3ccccc3o2)ccc1O ZINC000570649763 1128628863 /nfs/dbraw/zinc/62/88/63/1128628863.db2.gz PPIJJAITEDPPOU-UHFFFAOYSA-N 0 1 297.354 3.827 20 0 CHADMN Cc1noc([C@H](C)N(C)[C@H]2CC[C@@](C)(c3ccccc3)C2)n1 ZINC000570696617 1128629834 /nfs/dbraw/zinc/62/98/34/1128629834.db2.gz PRSBCOXYIVYVOM-QANKJYHBSA-N 0 1 299.418 3.881 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)C[C@@]1(C)C(=O)[O-] ZINC000571054969 1128636201 /nfs/dbraw/zinc/63/62/01/1128636201.db2.gz UBSHHILXIXYFFO-FZKQIMNGSA-N 0 1 289.419 3.527 20 0 CHADMN Cc1nc2cc(N[C@@H](C)c3cc(C)ccn3)ccc2n1C ZINC000556889755 1128636364 /nfs/dbraw/zinc/63/63/64/1128636364.db2.gz FMMGMOOTGWYVNF-LBPRGKRZSA-N 0 1 280.375 3.758 20 0 CHADMN Cc1nnsc1CN(C)CC(C)(C)c1ccc(C)cc1 ZINC000570776612 1128631860 /nfs/dbraw/zinc/63/18/60/1128631860.db2.gz ZHWRUEXLHVIGNC-UHFFFAOYSA-N 0 1 289.448 3.565 20 0 CHADMN CC[C@H](C(=O)Nc1ccccc1C)N(C)Cc1ccccc1 ZINC000570783280 1128632037 /nfs/dbraw/zinc/63/20/37/1128632037.db2.gz PFXBYMGYRUFFSF-GOSISDBHSA-N 0 1 296.414 3.844 20 0 CHADMN CC[C@@H](C(=O)Nc1ccccc1C)N(C)Cc1ccccc1 ZINC000570783281 1128632115 /nfs/dbraw/zinc/63/21/15/1128632115.db2.gz PFXBYMGYRUFFSF-SFHVURJKSA-N 0 1 296.414 3.844 20 0 CHADMN Cc1ccc(OCCN[C@H](C)c2cccnc2Cl)cc1 ZINC000156266187 1128632746 /nfs/dbraw/zinc/63/27/46/1128632746.db2.gz HNIDODQZDCAIMC-CYBMUJFWSA-N 0 1 290.794 3.773 20 0 CHADMN CCc1ccc([C@@H]2CCN(Cc3nccs3)C2)cc1 ZINC000556883096 1128633934 /nfs/dbraw/zinc/63/39/34/1128633934.db2.gz PUXCIUPPGYIENC-OAHLLOKOSA-N 0 1 272.417 3.695 20 0 CHADMN Cc1ccsc1CN[C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000571678828 1128638188 /nfs/dbraw/zinc/63/81/88/1128638188.db2.gz ZDQMQZHGOYCFJT-BONVTDFDSA-N 0 1 277.364 3.807 20 0 CHADMN COCCN(Cc1cc(C(C)(C)C)on1)[C@@H]1CCC[C@H]1C ZINC000571842064 1128639911 /nfs/dbraw/zinc/63/99/11/1128639911.db2.gz FQKGKHWBNSDZST-UKRRQHHQSA-N 0 1 294.439 3.609 20 0 CHADMN C[C@H]1CN(C(=O)c2cc(C3CCCCC3)[nH]n2)CC[C@@H]1C ZINC000131941723 1128640023 /nfs/dbraw/zinc/64/00/23/1128640023.db2.gz ROMVSRWGDYSQNU-STQMWFEESA-N 0 1 289.423 3.576 20 0 CHADMN COc1cccc(C2(N[C@H](C)c3ccoc3)CC2)c1 ZINC000556912717 1128642253 /nfs/dbraw/zinc/64/22/53/1128642253.db2.gz VNACMBIOTBDFMK-GFCCVEGCSA-N 0 1 257.333 3.628 20 0 CHADMN CC(C)[C@@H]1CCCC[N@H+]1Cc1cc(C(C)(C)C)on1 ZINC000572206914 1128643389 /nfs/dbraw/zinc/64/33/89/1128643389.db2.gz KFQQSSHYRSPKPX-AWEZNQCLSA-N 0 1 264.413 3.983 20 0 CHADMN CC(C)[C@@H]1CCCCN1Cc1cc(C(C)(C)C)on1 ZINC000572206914 1128643391 /nfs/dbraw/zinc/64/33/91/1128643391.db2.gz KFQQSSHYRSPKPX-AWEZNQCLSA-N 0 1 264.413 3.983 20 0 CHADMN C[C@@H]1CCC[C@H](N(C)Cc2nc(C3CCCC3)no2)C1 ZINC000132344070 1128647253 /nfs/dbraw/zinc/64/72/53/1128647253.db2.gz XWEKFXBDPSNWGR-OCCSQVGLSA-N 0 1 277.412 3.738 20 0 CHADMN Cc1ncsc1CN[C@@H]1CCCOc2cc(C)ccc21 ZINC000132368149 1128648337 /nfs/dbraw/zinc/64/83/37/1128648337.db2.gz AYBASUYNBILXCN-CQSZACIVSA-N 0 1 288.416 3.763 20 0 CHADMN CC1(C)C[N@@H+](CCCCCC(=O)[O-])CC[C@H]1C(F)(F)F ZINC000573379806 1128653602 /nfs/dbraw/zinc/65/36/02/1128653602.db2.gz SBNMGAVUFFWSRO-LLVKDONJSA-N 0 1 295.345 3.542 20 0 CHADMN CC(C)C[N@H+](C/C=C\c1ccc(Cl)cc1)CCC(=O)[O-] ZINC000573452084 1128654412 /nfs/dbraw/zinc/65/44/12/1128654412.db2.gz DNCQWXAYLFBKPD-ARJAWSKDSA-N 0 1 295.810 3.786 20 0 CHADMN CC1(C)CCCC[C@@H]1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000573434580 1128654739 /nfs/dbraw/zinc/65/47/39/1128654739.db2.gz XAMCYCNWCWZQFF-CQSZACIVSA-N 0 1 298.390 3.627 20 0 CHADMN CN(C[C@H]1CC=CCC1)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000499190540 1128659575 /nfs/dbraw/zinc/65/95/75/1128659575.db2.gz HXUKXBTXACUJMO-AWEZNQCLSA-N 0 1 295.386 3.505 20 0 CHADMN c1[nH]c(-c2ccccc2)nc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC000574008699 1128660357 /nfs/dbraw/zinc/66/03/57/1128660357.db2.gz XZANAFXMJQYKFC-QGZVFWFLSA-N 0 1 293.414 3.841 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000574165295 1128661906 /nfs/dbraw/zinc/66/19/06/1128661906.db2.gz TUQBJKGOGJUGBL-YOEHRIQHSA-N 0 1 289.419 3.828 20 0 CHADMN Cc1ncc(CN2Cc3ccccc3[C@@H](C)C2)s1 ZINC000920085352 1128664345 /nfs/dbraw/zinc/66/43/45/1128664345.db2.gz NEOUXIQBAYGCEC-NSHDSACASA-N 0 1 258.390 3.571 20 0 CHADMN O=C(O[C@@H]1CCc2ccccc21)c1cc(-c2ccco2)n[nH]1 ZINC000920131555 1128667371 /nfs/dbraw/zinc/66/73/71/1128667371.db2.gz IWZNYBWJYYPLOO-OAHLLOKOSA-N 0 1 294.310 3.514 20 0 CHADMN CCN(CCc1ccccn1)Cc1ccc(F)cc1Cl ZINC000920256801 1128674594 /nfs/dbraw/zinc/67/45/94/1128674594.db2.gz YGUPTRORMDXLHJ-UHFFFAOYSA-N 0 1 292.785 3.939 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1CCSC1CCCCC1 ZINC000600676513 1128677719 /nfs/dbraw/zinc/67/77/19/1128677719.db2.gz WKBJJIGGEROZNU-BTTYYORXSA-N 0 1 299.480 3.626 20 0 CHADMN COc1c(F)cc(CN2CC[C@@H](C)C[C@@H]2C)cc1F ZINC001138425432 1128699473 /nfs/dbraw/zinc/69/94/73/1128699473.db2.gz SBGGMUKSVOQQCM-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN C[C@@H](C1CC1)N(Cc1ccccc1)Cn1cc(Cl)cn1 ZINC000921186518 1128702606 /nfs/dbraw/zinc/70/26/06/1128702606.db2.gz RZUUXOBAYWSQJC-ZDUSSCGKSA-N 0 1 289.810 3.795 20 0 CHADMN Cc1ccc2nc(CNC(=O)C=C3CCC(C)CC3)[nH]c2c1 ZINC000174909849 1128703622 /nfs/dbraw/zinc/70/36/22/1128703622.db2.gz OVCJLXORFODQRF-UHFFFAOYSA-N 0 1 297.402 3.624 20 0 CHADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC000578369644 1128716140 /nfs/dbraw/zinc/71/61/40/1128716140.db2.gz UHMAZBIIKJVIDJ-KRWDZBQOSA-N 0 1 297.398 3.838 20 0 CHADMN CC(C)c1cc(C(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)n[nH]1 ZINC000578546142 1128721430 /nfs/dbraw/zinc/72/14/30/1128721430.db2.gz RRUYCXZYNASWBG-STQMWFEESA-N 0 1 291.439 3.820 20 0 CHADMN COC(=O)c1cc(F)ccc1CN1CCCC[C@@H]1C(C)C ZINC000609767073 1128724731 /nfs/dbraw/zinc/72/47/31/1128724731.db2.gz KVTZSXKUMCSMSZ-MRXNPFEDSA-N 0 1 293.382 3.623 20 0 CHADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000578660689 1128725169 /nfs/dbraw/zinc/72/51/69/1128725169.db2.gz QZNOCSVSDXDDCQ-QBIMZIAESA-N 0 1 287.403 3.633 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H]2CCCc3cn[nH]c32)cs1 ZINC000274493000 1117744948 /nfs/dbraw/zinc/74/49/48/1117744948.db2.gz SXUYVYCJNSUIEO-ZYHUDNBSSA-N 0 1 290.436 3.718 20 0 CHADMN c1cncc(CN(Cc2ccc3ncccc3c2)C2CC2)c1 ZINC000274497511 1117745181 /nfs/dbraw/zinc/74/51/81/1117745181.db2.gz QSPNCWMNYPXNHE-UHFFFAOYSA-N 0 1 289.382 3.794 20 0 CHADMN CC[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])N1CCCC1 ZINC000184990621 1117747656 /nfs/dbraw/zinc/74/76/56/1117747656.db2.gz WUVADMIKXTUWMX-TZMCWYRMSA-N 0 1 296.842 3.571 20 0 CHADMN CSc1ccc(CN2C[C@@H](C)S[C@H](C)C2)s1 ZINC000578944279 1128733485 /nfs/dbraw/zinc/73/34/85/1128733485.db2.gz YPIJBDMVENSQHO-NXEZZACHSA-N 0 1 273.492 3.796 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)Nc2ncc(Cl)s2)n[nH]1 ZINC000683079665 1117753701 /nfs/dbraw/zinc/75/37/01/1117753701.db2.gz VHBPBIXTWHZDLY-BQBZGAKWSA-N 0 1 285.804 3.601 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)C[C@H]1CCCCO1 ZINC000339313955 1117754334 /nfs/dbraw/zinc/75/43/34/1117754334.db2.gz AUWYIGKJSLEYNU-WCQYABFASA-N 0 1 269.335 3.527 20 0 CHADMN C[C@@]1(F)CCN(Cc2ccccc2C2CC2)C[C@@H]1F ZINC001139880193 1117756240 /nfs/dbraw/zinc/75/62/40/1117756240.db2.gz CKENEESNFMGMJP-JKSUJKDBSA-N 0 1 265.347 3.836 20 0 CHADMN CCN(CCO[C@H]1CCCC[C@@H]1C)Cc1ccoc1 ZINC000261409275 1117756567 /nfs/dbraw/zinc/75/65/67/1117756567.db2.gz OORCMANSEQCHNT-HOCLYGCPSA-N 0 1 265.397 3.697 20 0 CHADMN CC[C@H](NC[C@H](O)c1cc(C)cc(C)c1)c1nccs1 ZINC000185077335 1117759062 /nfs/dbraw/zinc/75/90/62/1117759062.db2.gz RYMXFKFMZTXOLT-GJZGRUSLSA-N 0 1 290.432 3.534 20 0 CHADMN Oc1cccc(CN[C@H]2CCSc3ccc(F)cc32)c1 ZINC000035043676 1117762979 /nfs/dbraw/zinc/76/29/79/1117762979.db2.gz WFRJDMOAAKMKLI-HNNXBMFYSA-N 0 1 289.375 3.858 20 0 CHADMN C[N@@H+](Cc1ccccn1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000361239596 1117764058 /nfs/dbraw/zinc/76/40/58/1117764058.db2.gz WDDVURKUAUOZEK-OLZOCXBDSA-N 0 1 272.314 3.635 20 0 CHADMN CN(Cc1ccccn1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000361239596 1117764061 /nfs/dbraw/zinc/76/40/61/1117764061.db2.gz WDDVURKUAUOZEK-OLZOCXBDSA-N 0 1 272.314 3.635 20 0 CHADMN [O-]c1cccc(C[NH2+]C2CCC3(CC3)CC2)c1Cl ZINC000339378136 1117765487 /nfs/dbraw/zinc/76/54/87/1117765487.db2.gz WVDPZSJYHULDPP-UHFFFAOYSA-N 0 1 265.784 3.858 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC001139887691 1117777262 /nfs/dbraw/zinc/77/72/62/1117777262.db2.gz YEZBADFJQQQXCU-HNNXBMFYSA-N 0 1 299.336 3.769 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1CN1CCC[C@@]12CCOC2 ZINC001139887691 1117777264 /nfs/dbraw/zinc/77/72/64/1117777264.db2.gz YEZBADFJQQQXCU-HNNXBMFYSA-N 0 1 299.336 3.769 20 0 CHADMN Cc1ccc(O)cc1CN(C)Cc1ccc(Cl)cc1 ZINC001238098402 1117777448 /nfs/dbraw/zinc/77/74/48/1117777448.db2.gz KNUSFHHZQQOVBD-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN C[C@@H](c1noc(-c2ccccc2)n1)N1CCCC[C@H](C)C1 ZINC000671243350 1117783346 /nfs/dbraw/zinc/78/33/46/1117783346.db2.gz WIIGOEJUSYVOQU-KBPBESRZSA-N 0 1 285.391 3.920 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cccc3cc[nH]c32)Cc2ccccc2O1 ZINC000430151235 1117784727 /nfs/dbraw/zinc/78/47/27/1117784727.db2.gz RHMQRCQGJDJITP-AWEZNQCLSA-N 0 1 292.382 3.951 20 0 CHADMN CCc1noc(C)c1CNCc1ccc(F)c2cccnc12 ZINC000339436616 1117786062 /nfs/dbraw/zinc/78/60/62/1117786062.db2.gz LEHTYZVTGAEKRQ-UHFFFAOYSA-N 0 1 299.349 3.523 20 0 CHADMN C[C@@H]1CN(Cc2cc(Cl)c(O)cc2F)CCC1(F)F ZINC001238142183 1117792111 /nfs/dbraw/zinc/79/21/11/1117792111.db2.gz CSJUNHDTXMXWBG-MRVPVSSYSA-N 0 1 293.716 3.662 20 0 CHADMN CC(C)[C@H](C)N(C)Cc1cscc1Br ZINC000579173273 1128740048 /nfs/dbraw/zinc/74/00/48/1128740048.db2.gz KPRKECYSAFAKIV-VIFPVBQESA-N 0 1 276.243 3.987 20 0 CHADMN CC(C)(C)C1CC(NCc2csc(C3CC3)n2)C1 ZINC000339472005 1117803017 /nfs/dbraw/zinc/80/30/17/1117803017.db2.gz XRJHLSWWTUDKRT-UHFFFAOYSA-N 0 1 264.438 3.935 20 0 CHADMN C[C@H]([NH2+]CCc1ccccc1O)c1cc(Cl)ccc1[O-] ZINC000185302786 1117806554 /nfs/dbraw/zinc/80/65/54/1117806554.db2.gz NYCZSSLJOJNIBN-NSHDSACASA-N 0 1 291.778 3.645 20 0 CHADMN C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000185327761 1117811848 /nfs/dbraw/zinc/81/18/48/1117811848.db2.gz NJZWDMLQTWVIHB-BDJLRTHQSA-N 0 1 297.826 3.637 20 0 CHADMN CN(CCC(=O)C(C)(C)C)Cc1ccc(F)c(Cl)c1 ZINC000763827272 1117814995 /nfs/dbraw/zinc/81/49/95/1117814995.db2.gz VIPHLYJAZXQQMV-UHFFFAOYSA-N 0 1 285.790 3.916 20 0 CHADMN CCCCN(CCCC)C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623182465 1117820354 /nfs/dbraw/zinc/82/03/54/1117820354.db2.gz QXEBSAPKXSHCPD-ZFWWWQNUSA-N 0 1 291.439 3.504 20 0 CHADMN CC(C)c1cc(CN2CC[C@H](O)[C@H](C)C2)ccc1Cl ZINC001238220964 1117825572 /nfs/dbraw/zinc/82/55/72/1117825572.db2.gz XEOQOOKOVSXJKO-WBMJQRKESA-N 0 1 281.827 3.666 20 0 CHADMN CC(C)CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000623333083 1117833168 /nfs/dbraw/zinc/83/31/68/1117833168.db2.gz JQBMARGCPCJHGE-HJWRWDBZSA-N 0 1 259.378 3.723 20 0 CHADMN Cc1cc(CN(C)[C@@H]2CCCC[C@@H]2C(F)(F)F)on1 ZINC000361589949 1117843372 /nfs/dbraw/zinc/84/33/72/1117843372.db2.gz IOCANFJLJSNEQC-NWDGAFQWSA-N 0 1 276.302 3.536 20 0 CHADMN CC[C@@H]1CCN1Cc1cnc(-c2ccsc2)s1 ZINC000430198067 1117850838 /nfs/dbraw/zinc/85/08/38/1117850838.db2.gz XNIDNKFSYDCTLB-LLVKDONJSA-N 0 1 264.419 3.856 20 0 CHADMN CCCC[N@@H+](CC[C@H](C)c1ccc(C)o1)CC(=O)OCC ZINC001208167782 1117853000 /nfs/dbraw/zinc/85/30/00/1117853000.db2.gz KHOCGHDPCUEGOI-AWEZNQCLSA-N 0 1 295.423 3.747 20 0 CHADMN CCCCN(CC[C@H](C)c1ccc(C)o1)CC(=O)OCC ZINC001208167782 1117853002 /nfs/dbraw/zinc/85/30/02/1117853002.db2.gz KHOCGHDPCUEGOI-AWEZNQCLSA-N 0 1 295.423 3.747 20 0 CHADMN c1oc2ccccc2c1CNc1cc2c(cn1)CCC2 ZINC000339557470 1117854603 /nfs/dbraw/zinc/85/46/03/1117854603.db2.gz YQXLPPGNBHOADJ-UHFFFAOYSA-N 0 1 264.328 3.929 20 0 CHADMN C[C@H]1CCC[C@H]([N@@H+](C)Cc2ccn(-c3ccccc3)n2)C1 ZINC000623433824 1117855360 /nfs/dbraw/zinc/85/53/60/1117855360.db2.gz ALMHQUBQTXUQMD-YJBOKZPZSA-N 0 1 283.419 3.883 20 0 CHADMN CC[C@@H]1CCN1Cc1c(Cl)cccc1N1CCCC1 ZINC000430199897 1117855649 /nfs/dbraw/zinc/85/56/49/1117855649.db2.gz SGJRPFIJRSSMDQ-CYBMUJFWSA-N 0 1 278.827 3.925 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)CC1(C)C ZINC000579132843 1128739056 /nfs/dbraw/zinc/73/90/56/1128739056.db2.gz ONJZZYDUJMJPIC-LLVKDONJSA-N 0 1 295.810 3.906 20 0 CHADMN CO[C@@H]1CCN(Cc2cc(C)c(Cl)cc2F)[C@@H](C)C1 ZINC001238304001 1117860765 /nfs/dbraw/zinc/86/07/65/1117860765.db2.gz DGMGITMLGSNGRW-WCQYABFASA-N 0 1 285.790 3.787 20 0 CHADMN CO[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(C)(C)C ZINC000185617415 1117860824 /nfs/dbraw/zinc/86/08/24/1117860824.db2.gz AYWAEVQMBQHFJJ-HZMBPMFUSA-N 0 1 285.815 3.757 20 0 CHADMN CO[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])C(C)(C)C ZINC000185617464 1117861164 /nfs/dbraw/zinc/86/11/64/1117861164.db2.gz AYWAEVQMBQHFJJ-QMTHXVAHSA-N 0 1 285.815 3.757 20 0 CHADMN CCOC(C)(C)CNCc1c(F)ccc(F)c1Cl ZINC000623502340 1117864540 /nfs/dbraw/zinc/86/45/40/1117864540.db2.gz FCURPIKONSFVSE-UHFFFAOYSA-N 0 1 277.742 3.523 20 0 CHADMN CCc1cnc(CN[C@H]2CCC[C@H]2Cc2ccccc2)o1 ZINC000579184739 1128741024 /nfs/dbraw/zinc/74/10/24/1128741024.db2.gz QLUVWDFWJDOHED-RDJZCZTQSA-N 0 1 284.403 3.738 20 0 CHADMN COCc1cnc(CN(C)[C@@H]2CCC[C@H]2C(C)(C)C)s1 ZINC000579215920 1128741704 /nfs/dbraw/zinc/74/17/04/1128741704.db2.gz OXAKFBIJVAAXHC-ZIAGYGMSSA-N 0 1 296.480 3.936 20 0 CHADMN C[C@@H]1C[C@@H](N[C@@H](CCc2ccccc2)C(F)F)C[C@H](C)O1 ZINC000623658331 1117885007 /nfs/dbraw/zinc/88/50/07/1117885007.db2.gz RHUSMEXSINGILC-XRGAULLZSA-N 0 1 297.389 3.799 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)[C@H]1C ZINC000339580548 1117886302 /nfs/dbraw/zinc/88/63/02/1117886302.db2.gz ILPLLHYWZBQCPU-GJZGRUSLSA-N 0 1 282.387 3.501 20 0 CHADMN C[C@H]1CN(Cc2cncc(OCc3ccccc3)c2)[C@H]1C ZINC000339580548 1117886310 /nfs/dbraw/zinc/88/63/10/1117886310.db2.gz ILPLLHYWZBQCPU-GJZGRUSLSA-N 0 1 282.387 3.501 20 0 CHADMN Cc1ncccc1CNCc1csc(C(F)(F)F)c1 ZINC000623703468 1117896095 /nfs/dbraw/zinc/89/60/95/1117896095.db2.gz OKMIDIQUCAVSSD-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1ccsc1)c1ccc(OC)cc1 ZINC000349418667 1117898427 /nfs/dbraw/zinc/89/84/27/1117898427.db2.gz QBKBCNQYSZVAQP-CVEARBPZSA-N 0 1 291.416 3.531 20 0 CHADMN OC[C@@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccsc1 ZINC000349401514 1117898497 /nfs/dbraw/zinc/89/84/97/1117898497.db2.gz DQBBFOYDWCOSHT-HZPDHXFCSA-N 0 1 291.391 3.588 20 0 CHADMN C[C@H](CCN1CCN(C(=O)C(C)(C)C)CC1)CC(C)(C)C ZINC001208663953 1117901079 /nfs/dbraw/zinc/90/10/79/1117901079.db2.gz JZHQZDSBZQZIDS-OAHLLOKOSA-N 0 1 296.499 3.639 20 0 CHADMN Cc1cnc(=S)n(CN(C2CC2)C2CCC(C)CC2)c1 ZINC000179462919 1128743405 /nfs/dbraw/zinc/74/34/05/1128743405.db2.gz UIJIKUDVYFTHIQ-UHFFFAOYSA-N 0 1 291.464 3.922 20 0 CHADMN CC(C)[C@@H](NCCC1CCCC1)c1nc(C2CC2)no1 ZINC000179821732 1117913783 /nfs/dbraw/zinc/91/37/83/1117913783.db2.gz MMXVWROVYZHENQ-CQSZACIVSA-N 0 1 277.412 3.814 20 0 CHADMN C[C@]1(c2ccc(F)cc2)CN(CCC2CCCC2)CCO1 ZINC001208694023 1117915738 /nfs/dbraw/zinc/91/57/38/1117915738.db2.gz HNPQQJYDTMVWTO-GOSISDBHSA-N 0 1 291.410 3.953 20 0 CHADMN C[C@H](c1nc(C2CCSCC2)no1)N1[C@H](C)CC[C@@H]1C ZINC000350884102 1117920863 /nfs/dbraw/zinc/92/08/63/1117920863.db2.gz SNBYZBAZRKKVHO-GRYCIOLGSA-N 0 1 295.452 3.614 20 0 CHADMN Clc1csc(CNCc2cccc3c2OCC3)c1 ZINC000692965106 1117927955 /nfs/dbraw/zinc/92/79/55/1117927955.db2.gz JEDVMQFZKNCBDL-UHFFFAOYSA-N 0 1 279.792 3.626 20 0 CHADMN Oc1cccc2c1CC[C@@H]2NCc1ccccc1Cl ZINC000036851940 1117929326 /nfs/dbraw/zinc/92/93/26/1117929326.db2.gz BRALNBFMXRZGCT-HNNXBMFYSA-N 0 1 273.763 3.823 20 0 CHADMN C[C@@H](CC(F)(F)F)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000351203928 1117929837 /nfs/dbraw/zinc/92/98/37/1117929837.db2.gz DLBKNZCWGXDRBD-ZETCQYMHSA-N 0 1 296.252 3.669 20 0 CHADMN Cc1cc(CN2CC[C@H](C)C(F)(F)CC2)ncc1Cl ZINC001238427836 1117931636 /nfs/dbraw/zinc/93/16/36/1117931636.db2.gz SGPXYRNPCZDRDB-NSHDSACASA-N 0 1 288.769 3.911 20 0 CHADMN F[C@H]1CCC[C@H](c2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000351340245 1117935855 /nfs/dbraw/zinc/93/58/55/1117935855.db2.gz IWJGZWZBBFYMLS-QWRGUYRKSA-N 0 1 286.310 3.609 20 0 CHADMN COc1cc(C[N@@H+]2CC=C(C)CC2)ccc1SC ZINC000339628089 1117941170 /nfs/dbraw/zinc/94/11/70/1117941170.db2.gz LHOQGMIPHRDIDN-UHFFFAOYSA-N 0 1 263.406 3.569 20 0 CHADMN COc1cc(CN2CC=C(C)CC2)ccc1SC ZINC000339628089 1117941174 /nfs/dbraw/zinc/94/11/74/1117941174.db2.gz LHOQGMIPHRDIDN-UHFFFAOYSA-N 0 1 263.406 3.569 20 0 CHADMN CC[C@H]1C[C@@H](NC2(c3c(F)cccc3F)CCC2)CO1 ZINC000623844352 1117945224 /nfs/dbraw/zinc/94/52/24/1117945224.db2.gz RZISTQPHNQPOFI-NEPJUHHUSA-N 0 1 281.346 3.501 20 0 CHADMN CCCN1Cc2cccc(NC(=O)/C=C\C(C)(C)C)c2C1 ZINC000254999656 1117945521 /nfs/dbraw/zinc/94/55/21/1117945521.db2.gz RSTQLPBUVBVXGK-KTKRTIGZSA-N 0 1 286.419 3.953 20 0 CHADMN Cc1ccnc(CN(C)[C@@H](C)Cc2ccc(Cl)cc2)n1 ZINC000339662796 1117950441 /nfs/dbraw/zinc/95/04/41/1117950441.db2.gz OIFGOINXFMCTLJ-ZDUSSCGKSA-N 0 1 289.810 3.501 20 0 CHADMN Cc1csc([C@@H](C)NC[C@@H](C)Oc2ccccc2C)n1 ZINC000623899826 1117950610 /nfs/dbraw/zinc/95/06/10/1117950610.db2.gz UJGLOAWMVBAOGT-ZIAGYGMSSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1csc([C@@H](C)NC[C@@H](C)Oc2cccc(F)c2)n1 ZINC000623899714 1117951021 /nfs/dbraw/zinc/95/10/21/1117951021.db2.gz QONJJRZZVYKLKI-VXGBXAGGSA-N 0 1 294.395 3.709 20 0 CHADMN Cc1csc([C@@H](C)NC[C@@H](C)Oc2cccc(C)c2)n1 ZINC000623899167 1117951061 /nfs/dbraw/zinc/95/10/61/1117951061.db2.gz AABKAPDDJREWJR-ZIAGYGMSSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1csc([C@@H](C)NC[C@@H](C)Oc2ccccc2F)n1 ZINC000623899658 1117951105 /nfs/dbraw/zinc/95/11/05/1117951105.db2.gz OUKVAPNIIYLGRF-VXGBXAGGSA-N 0 1 294.395 3.709 20 0 CHADMN c1cn(C2CCCC2)nc1CN1CC[C@H](CC2CC2)C1 ZINC000339670320 1117951634 /nfs/dbraw/zinc/95/16/34/1117951634.db2.gz BBKWEWVESMDBHB-OAHLLOKOSA-N 0 1 273.424 3.620 20 0 CHADMN COc1ccc(OC)c(CN[C@@H](C)c2ccc(C)s2)c1 ZINC000049158633 1128746477 /nfs/dbraw/zinc/74/64/77/1128746477.db2.gz VGOKFFDXSMWWFM-LBPRGKRZSA-N 0 1 291.416 3.925 20 0 CHADMN Cc1cc(C)cc(NC(=O)[C@H](C)N2CC(C)=C[C@H](C)C2)c1 ZINC000430265318 1117959140 /nfs/dbraw/zinc/95/91/40/1117959140.db2.gz UTUUCTUQRVWYRJ-HOCLYGCPSA-N 0 1 286.419 3.528 20 0 CHADMN COc1ccc(-c2cnc(C[N@@H+]3CC(C)=C[C@@H](C)C3)o2)cc1 ZINC000430267000 1117962936 /nfs/dbraw/zinc/96/29/36/1117962936.db2.gz ZNTICHCONQGDJB-CYBMUJFWSA-N 0 1 298.386 3.748 20 0 CHADMN COc1ccc(-c2cnc(CN3CC(C)=C[C@@H](C)C3)o2)cc1 ZINC000430267000 1117962937 /nfs/dbraw/zinc/96/29/37/1117962937.db2.gz ZNTICHCONQGDJB-CYBMUJFWSA-N 0 1 298.386 3.748 20 0 CHADMN CO[C@H](C)c1nc(CN2CC(C)(C)[C@H]3CCC[C@@H]32)cs1 ZINC000339709177 1117964679 /nfs/dbraw/zinc/96/46/79/1117964679.db2.gz CEZHAWRJSBDOMI-XBFCOCLRSA-N 0 1 294.464 3.861 20 0 CHADMN CCCC[C@@H](C)N(CCCC)C(=O)c1cc(C)[nH]n1 ZINC000579872804 1117969406 /nfs/dbraw/zinc/96/94/06/1117969406.db2.gz BOFQISXDEQDBAD-CYBMUJFWSA-N 0 1 265.401 3.539 20 0 CHADMN CC(C)Cc1ccccc1CN[C@H]1CCCn2ccnc21 ZINC000624030335 1117972063 /nfs/dbraw/zinc/97/20/63/1117972063.db2.gz SWWKYDGATIQCOX-KRWDZBQOSA-N 0 1 283.419 3.706 20 0 CHADMN Cc1ccc(Cl)cc1N(C)C(=O)c1cccc2[nH]ncc21 ZINC000579392830 1128747357 /nfs/dbraw/zinc/74/73/57/1128747357.db2.gz VAFWJDOIRHLKTC-UHFFFAOYSA-N 0 1 299.761 3.801 20 0 CHADMN Cc1ccccc1-c1nc(=N[C@@H]2CCC(F)(F)C2)s[nH]1 ZINC000624039665 1117973468 /nfs/dbraw/zinc/97/34/68/1117973468.db2.gz VIRMKVSKDPYEBP-SNVBAGLBSA-N 0 1 295.358 3.535 20 0 CHADMN c1cc(CCCN2CCOC[C@H]2CC2CCC2)cs1 ZINC000339773077 1117973659 /nfs/dbraw/zinc/97/36/59/1117973659.db2.gz DCOIBWOPCIJACM-MRXNPFEDSA-N 0 1 279.449 3.572 20 0 CHADMN CCN(C(=O)c1ccc2cncn2c1)c1cccc(C)c1C ZINC000339814481 1117978662 /nfs/dbraw/zinc/97/86/62/1117978662.db2.gz LPHFYYXINNKIKB-UHFFFAOYSA-N 0 1 293.370 3.618 20 0 CHADMN CC(C)c1ccc(CN2CCO[C@H]3CCC[C@H]32)cc1 ZINC000430276461 1117981402 /nfs/dbraw/zinc/98/14/02/1117981402.db2.gz XAZCUVDMXRKZPW-SJORKVTESA-N 0 1 259.393 3.563 20 0 CHADMN CC(C)CC[C@H](CO)N[C@@H](C)c1csc(C(C)C)n1 ZINC000624110897 1117982639 /nfs/dbraw/zinc/98/26/39/1117982639.db2.gz IRRLHXVSFHFUFH-QWHCGFSZSA-N 0 1 284.469 3.714 20 0 CHADMN Cc1nc([C@@H](C)NCC(C)(C)c2ccc(C)cn2)cs1 ZINC000624111707 1117983016 /nfs/dbraw/zinc/98/30/16/1117983016.db2.gz BUEKOFYFVQPZRK-GFCCVEGCSA-N 0 1 289.448 3.783 20 0 CHADMN Cc1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])ccc1F ZINC000237634330 1128747865 /nfs/dbraw/zinc/74/78/65/1128747865.db2.gz KVXWTWJVXAYTRU-UHFFFAOYSA-N 0 1 279.742 3.783 20 0 CHADMN COCCC[C@@H](C)N[C@@H](CCc1ccccc1)C(F)F ZINC000624124547 1117986812 /nfs/dbraw/zinc/98/68/12/1117986812.db2.gz FRZDQKMPUOTORH-HIFRSBDPSA-N 0 1 285.378 3.658 20 0 CHADMN Cn1nc(CN(CC2CCCCC2)C2CC2)cc1Cl ZINC001167100932 1118005120 /nfs/dbraw/zinc/00/51/20/1118005120.db2.gz RIMIWYTVWYMMTF-UHFFFAOYSA-N 0 1 281.831 3.618 20 0 CHADMN Cc1cncc(CN[C@H]2CCSc3ccccc32)c1 ZINC000181828059 1118007254 /nfs/dbraw/zinc/00/72/54/1118007254.db2.gz KBSYRXZIUALQLB-HNNXBMFYSA-N 0 1 270.401 3.717 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc3c(c2)CCO3)o1 ZINC000077329678 1118007263 /nfs/dbraw/zinc/00/72/63/1118007263.db2.gz FUBROJAUYIVKLE-WBMJQRKESA-N 0 1 283.371 3.628 20 0 CHADMN Cc1[nH]ncc1CNc1nc2c(cc(C)cc2C)s1 ZINC000181937002 1118009017 /nfs/dbraw/zinc/00/90/17/1118009017.db2.gz QLCYUKDBKIQKBU-UHFFFAOYSA-N 0 1 272.377 3.557 20 0 CHADMN CCN(CC(=O)N(CC)c1cccc2ccccc21)C1CC1 ZINC000045770783 1118014972 /nfs/dbraw/zinc/01/49/72/1118014972.db2.gz FKTLVMDGIXZACY-UHFFFAOYSA-N 0 1 296.414 3.677 20 0 CHADMN Cc1ccccc1-c1noc(C[N@@H+](C)C[C@H]2CC2(C)C)n1 ZINC000662347645 1118015684 /nfs/dbraw/zinc/01/56/84/1118015684.db2.gz IOZMMTILNZJRSM-CYBMUJFWSA-N 0 1 285.391 3.523 20 0 CHADMN Cc1ccccc1-c1noc(CN(C)C[C@H]2CC2(C)C)n1 ZINC000662347645 1118015688 /nfs/dbraw/zinc/01/56/88/1118015688.db2.gz IOZMMTILNZJRSM-CYBMUJFWSA-N 0 1 285.391 3.523 20 0 CHADMN C[C@@H](N[C@H]1CCCc2ccc(Cl)cc21)c1cnccn1 ZINC000624219933 1118016337 /nfs/dbraw/zinc/01/63/37/1118016337.db2.gz DRICEPTUTIBEDW-ABAIWWIYSA-N 0 1 287.794 3.858 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cnn(C)c2C(F)(F)F)cc1 ZINC000182349369 1118020454 /nfs/dbraw/zinc/02/04/54/1118020454.db2.gz OLONKMIXAALDNY-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN COc1ccc([C@@H](NCc2cc(C)ccn2)C2CC2)cc1 ZINC000328011189 1118025260 /nfs/dbraw/zinc/02/52/60/1118025260.db2.gz QAXISPRGOARQSX-SFHVURJKSA-N 0 1 282.387 3.640 20 0 CHADMN CCN(Cc1csc(Cl)c1Cl)C[C@@H]1CCOC1 ZINC000683350420 1118063388 /nfs/dbraw/zinc/06/33/88/1118063388.db2.gz IKFXULJUNPZJLB-VIFPVBQESA-N 0 1 294.247 3.913 20 0 CHADMN CC(C)(C)c1noc(-c2cc(-c3ccc(F)cc3)n[nH]2)n1 ZINC000109524866 1118034543 /nfs/dbraw/zinc/03/45/43/1118034543.db2.gz LPXYFQFFXOFLQX-UHFFFAOYSA-N 0 1 286.310 3.563 20 0 CHADMN C[C@@H]1C[C@H]1C[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC001209420540 1118044744 /nfs/dbraw/zinc/04/47/44/1118044744.db2.gz JOFXTOMFKZJQIH-PWSUYJOCSA-N 0 1 269.310 3.720 20 0 CHADMN C[C@@H]1C[C@H]1CN1CCc2ccc(C(F)(F)F)cc2C1 ZINC001209420540 1118044748 /nfs/dbraw/zinc/04/47/48/1118044748.db2.gz JOFXTOMFKZJQIH-PWSUYJOCSA-N 0 1 269.310 3.720 20 0 CHADMN CC1CCC(CSc2nc(C3CC3)n[nH]2)CC1 ZINC000184142548 1118051394 /nfs/dbraw/zinc/05/13/94/1118051394.db2.gz PZJUDWXKLJXMBB-UHFFFAOYSA-N 0 1 251.399 3.601 20 0 CHADMN CC1CCC(CSc2n[nH]c(C3CC3)n2)CC1 ZINC000184142548 1118051399 /nfs/dbraw/zinc/05/13/99/1118051399.db2.gz PZJUDWXKLJXMBB-UHFFFAOYSA-N 0 1 251.399 3.601 20 0 CHADMN COCC[N@@H+](Cc1ccco1)Cc1cc(C)cc(C)c1 ZINC000046062303 1118054098 /nfs/dbraw/zinc/05/40/98/1118054098.db2.gz ANWOFXMXFQOJSC-UHFFFAOYSA-N 0 1 273.376 3.545 20 0 CHADMN COCCN(Cc1ccco1)Cc1cc(C)cc(C)c1 ZINC000046062303 1118054101 /nfs/dbraw/zinc/05/41/01/1118054101.db2.gz ANWOFXMXFQOJSC-UHFFFAOYSA-N 0 1 273.376 3.545 20 0 CHADMN Cc1ccccc1[C@@H](C)CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184544038 1118055315 /nfs/dbraw/zinc/05/53/15/1118055315.db2.gz XZUQFMQNPICSEN-LBPRGKRZSA-N 0 1 298.390 3.513 20 0 CHADMN Cc1ccccc1[C@@H](C)CC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184544038 1118055320 /nfs/dbraw/zinc/05/53/20/1118055320.db2.gz XZUQFMQNPICSEN-LBPRGKRZSA-N 0 1 298.390 3.513 20 0 CHADMN C[C@@H](N[C@H]1CCCc2n[nH]cc21)c1cc2ccccc2o1 ZINC000367538940 1118056161 /nfs/dbraw/zinc/05/61/61/1118056161.db2.gz UUGUXKOYZJDMFH-RISCZKNCSA-N 0 1 281.359 3.884 20 0 CHADMN CCc1nc([C@@H](C)NCCCOc2ccccc2)cs1 ZINC000184693393 1118056535 /nfs/dbraw/zinc/05/65/35/1118056535.db2.gz OPSSAHWVUSLZCM-CYBMUJFWSA-N 0 1 290.432 3.825 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000212071008 1118056794 /nfs/dbraw/zinc/05/67/94/1118056794.db2.gz BZCPMEVBRGTSJQ-AWEZNQCLSA-N 0 1 289.419 3.959 20 0 CHADMN CCCC[C@@H](N[C@H](C)c1nc(C2CC2)no1)C1CCC1 ZINC000184868591 1118057812 /nfs/dbraw/zinc/05/78/12/1118057812.db2.gz PGKRNEVUXQJNCL-BXUZGUMPSA-N 0 1 277.412 3.957 20 0 CHADMN CCCCCN[C@H](C)c1nc(C2CCCCC2)no1 ZINC000185219343 1118060986 /nfs/dbraw/zinc/06/09/86/1118060986.db2.gz XBGNHDNPKZHINF-GFCCVEGCSA-N 0 1 265.401 3.958 20 0 CHADMN C[C@@H](NCc1c(F)cccc1F)[C@H]1COc2ccccc21 ZINC000185648768 1118063348 /nfs/dbraw/zinc/06/33/48/1118063348.db2.gz CWUVXKPKHIXJGL-BXUZGUMPSA-N 0 1 289.325 3.619 20 0 CHADMN Clc1ccc(CN[C@H](c2cccnc2)C2CC2)o1 ZINC000340103096 1118066046 /nfs/dbraw/zinc/06/60/46/1118066046.db2.gz DIVVZPHIZKVJSJ-AWEZNQCLSA-N 0 1 262.740 3.569 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@H]1NCc1nc2c(s1)CCC2 ZINC000093075033 1118068975 /nfs/dbraw/zinc/06/89/75/1118068975.db2.gz XFMIPVLKDUGILU-DIFFPNOSSA-N 0 1 284.428 3.655 20 0 CHADMN Fc1cc(CNc2ccc3c[nH]nc3c2)ccc1Cl ZINC000043389633 1118077429 /nfs/dbraw/zinc/07/74/29/1118077429.db2.gz BLBABQVZKYXFQW-UHFFFAOYSA-N 0 1 275.714 3.968 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(Br)c2)[nH]1 ZINC001209570610 1118080405 /nfs/dbraw/zinc/08/04/05/1118080405.db2.gz QKMVFMPNHIRSJO-UHFFFAOYSA-N 0 1 293.208 3.718 20 0 CHADMN CC(C)Oc1ccnc(N2CC3(C2)CCCCC3)c1 ZINC001167180154 1118087399 /nfs/dbraw/zinc/08/73/99/1118087399.db2.gz MXLFBIRDEGDBQT-UHFFFAOYSA-N 0 1 260.381 3.639 20 0 CHADMN CCCCCN(CCCCC)Cc1nonc1C ZINC000734147243 1118089162 /nfs/dbraw/zinc/08/91/62/1118089162.db2.gz RXULMUWKQMGFSV-UHFFFAOYSA-N 0 1 253.390 3.560 20 0 CHADMN CO[C@](C)(CN[C@@H](C)c1nc(C)cs1)c1ccccc1 ZINC000384308047 1118094733 /nfs/dbraw/zinc/09/47/33/1118094733.db2.gz LELUZZUBWDFXQO-XJKSGUPXSA-N 0 1 290.432 3.664 20 0 CHADMN COc1ccc2nc(SCc3ncc(C)s3)[nH]c2c1 ZINC000179721817 1128755535 /nfs/dbraw/zinc/75/55/35/1128755535.db2.gz JCFFGMNUCFIGOH-UHFFFAOYSA-N 0 1 291.401 3.629 20 0 CHADMN COc1cc(Nc2ccc3nc[nH]c3c2)ccc1C ZINC001209846609 1118099470 /nfs/dbraw/zinc/09/94/70/1118099470.db2.gz HOVKOHSJFVROES-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN O=[N+]([O-])c1ccccc1-c1nc2ccc(Cl)cc2[nH]1 ZINC000141654052 1118105611 /nfs/dbraw/zinc/10/56/11/1118105611.db2.gz PBKDLYJDZMZDHQ-UHFFFAOYSA-N 0 1 273.679 3.792 20 0 CHADMN C[C@H]1CN(Cc2cc(C(F)(F)F)ccn2)CCC[C@@H]1C ZINC001140104089 1118118675 /nfs/dbraw/zinc/11/86/75/1118118675.db2.gz CAQJKMZCUWENDQ-RYUDHWBXSA-N 0 1 286.341 3.968 20 0 CHADMN Cc1cc(N)ncc1Nc1nc2cc(Cl)ccc2o1 ZINC001209962226 1118120513 /nfs/dbraw/zinc/12/05/13/1118120513.db2.gz SWMNAJTYISLKRA-UHFFFAOYSA-N 0 1 274.711 3.510 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(-c2ccc(F)cc2)no1 ZINC001209968712 1118122364 /nfs/dbraw/zinc/12/23/64/1118122364.db2.gz XOMYMGFQHOOKSZ-UHFFFAOYSA-N 0 1 284.294 3.510 20 0 CHADMN Cc1cc2cc(Nc3cnc(N)cc3C)ccc2o1 ZINC001209968988 1118122786 /nfs/dbraw/zinc/12/27/86/1118122786.db2.gz GTJBOZVSENXQLJ-UHFFFAOYSA-N 0 1 253.305 3.770 20 0 CHADMN COc1cc(F)c(Cl)cc1Nc1cnc(N)cc1C ZINC001209971279 1118123888 /nfs/dbraw/zinc/12/38/88/1118123888.db2.gz WDRXZJOUQIUPSC-UHFFFAOYSA-N 0 1 281.718 3.517 20 0 CHADMN FC(F)n1ccnc1CN1CCC[C@@H]1CC1CCCC1 ZINC000653892943 1118126699 /nfs/dbraw/zinc/12/66/99/1118126699.db2.gz QEWLADOUHPUEPM-CYBMUJFWSA-N 0 1 283.366 3.823 20 0 CHADMN Cc1ccc(F)c([C@@H](C)[C@H](c2nc[nH]n2)c2cccnc2)c1 ZINC000340274414 1118129195 /nfs/dbraw/zinc/12/91/95/1118129195.db2.gz YIGAXFGUKDFSLB-WBMJQRKESA-N 0 1 296.349 3.583 20 0 CHADMN FCCCCO[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001209988726 1118129427 /nfs/dbraw/zinc/12/94/27/1118129427.db2.gz XKNBZMXOKBRYDG-OAHLLOKOSA-N 0 1 283.362 3.556 20 0 CHADMN CC[C@](C)(NC[C@H]1CCCC[N@H+]1C(C)C)c1nccs1 ZINC000340287628 1118132244 /nfs/dbraw/zinc/13/22/44/1118132244.db2.gz WCUWRBKSAFLCQF-ZBFHGGJFSA-N 0 1 295.496 3.621 20 0 CHADMN Cc1ccc(C[N@H+](Cc2ccco2)C[C@@H](O)C(C)C)s1 ZINC000340284775 1118132327 /nfs/dbraw/zinc/13/23/27/1118132327.db2.gz JWDHMSAVEVILIG-MRXNPFEDSA-N 0 1 293.432 3.669 20 0 CHADMN Cc1ccc(CN(Cc2ccco2)C[C@@H](O)C(C)C)s1 ZINC000340284775 1118132328 /nfs/dbraw/zinc/13/23/28/1118132328.db2.gz JWDHMSAVEVILIG-MRXNPFEDSA-N 0 1 293.432 3.669 20 0 CHADMN CC(C)C[C@@H]1CC[N@@H+](Cc2cccnc2Cl)C1 ZINC000074995138 1128758589 /nfs/dbraw/zinc/75/85/89/1128758589.db2.gz IUZQGGBUTRVRCU-LBPRGKRZSA-N 0 1 252.789 3.603 20 0 CHADMN C[C@H](Cc1ccsc1)N1CCOc2ccc(F)cc2C1 ZINC000579907036 1118146370 /nfs/dbraw/zinc/14/63/70/1118146370.db2.gz QRYQXYCGOYRVQI-GFCCVEGCSA-N 0 1 291.391 3.713 20 0 CHADMN Cc1occc1CN[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000765397899 1118148354 /nfs/dbraw/zinc/14/83/54/1118148354.db2.gz WCHRGADSIFMACH-ZDUSSCGKSA-N 0 1 298.386 3.566 20 0 CHADMN COCc1cc([C@@H](C)NCc2ccoc2C)ccc1OC ZINC000765397578 1118148365 /nfs/dbraw/zinc/14/83/65/1118148365.db2.gz RDQTWDROEAFHEN-GFCCVEGCSA-N 0 1 289.375 3.594 20 0 CHADMN Cc1occc1CN[C@H](C)c1cnn(-c2ccccc2)c1 ZINC000765397873 1118148628 /nfs/dbraw/zinc/14/86/28/1118148628.db2.gz USBREXHJKUXSPN-CYBMUJFWSA-N 0 1 281.359 3.625 20 0 CHADMN Cc1cccc([C@H](N[C@H](C)c2ncc[nH]2)C(C)C)c1 ZINC000528007716 1118151462 /nfs/dbraw/zinc/15/14/62/1118151462.db2.gz DLOWVTYWNJLNQV-UKRRQHHQSA-N 0 1 257.381 3.766 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cnnc(Cl)c1Cl ZINC001210101090 1118152741 /nfs/dbraw/zinc/15/27/41/1118152741.db2.gz BMZVPVRFGOBLKD-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)[C@H](C(=O)[O-])C1 ZINC000129345115 1118156877 /nfs/dbraw/zinc/15/68/77/1118156877.db2.gz VPDHYEYEKZAQHN-BBRMVZONSA-N 0 1 289.419 3.669 20 0 CHADMN C[C@@H](N[C@H](C)c1cncc(F)c1)c1ccc2c(c1)CCO2 ZINC000765498873 1118157043 /nfs/dbraw/zinc/15/70/43/1118157043.db2.gz FJQUTLVMEHAFOW-VXGBXAGGSA-N 0 1 286.350 3.567 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)C1CCCCCC1 ZINC000155959558 1118159643 /nfs/dbraw/zinc/15/96/43/1118159643.db2.gz XQPAMSPVWOUTON-UHFFFAOYSA-N 0 1 281.421 3.909 20 0 CHADMN Cc1cc(F)c(CNCCSC(F)(F)F)c(F)c1 ZINC001648805434 1118160178 /nfs/dbraw/zinc/16/01/78/1118160178.db2.gz QPSBHUDTFPFNPB-UHFFFAOYSA-N 0 1 285.281 3.616 20 0 CHADMN Cc1ccc(CNc2cnn(-c3ccncc3)c2)cc1Cl ZINC000683472014 1118164700 /nfs/dbraw/zinc/16/47/00/1118164700.db2.gz GCYQSFGBOIYAQW-UHFFFAOYSA-N 0 1 298.777 3.841 20 0 CHADMN C[C@H](N[C@@H](C)c1cc(F)c(F)c(F)c1)c1cccnc1 ZINC000171983032 1118165198 /nfs/dbraw/zinc/16/51/98/1118165198.db2.gz UNCYNAZKERYLSG-UWVGGRQHSA-N 0 1 280.293 3.911 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC(C)CC1 ZINC000014915391 1118165439 /nfs/dbraw/zinc/16/54/39/1118165439.db2.gz AZMBMULFHHQAAF-ZDUSSCGKSA-N 0 1 294.826 3.707 20 0 CHADMN CC[C@]1(NCc2nc(C3CCCCC3)cs2)CCOC1 ZINC000683524760 1118168985 /nfs/dbraw/zinc/16/89/85/1118168985.db2.gz UPKGGLRTHMVZQW-INIZCTEOSA-N 0 1 294.464 3.850 20 0 CHADMN Cc1ccc(-c2nnc(CN3C[C@@H](C)C[C@H](C)C3)o2)cc1 ZINC000046502172 1118180304 /nfs/dbraw/zinc/18/03/04/1118180304.db2.gz FBMHXGKOCOMPKO-KBPBESRZSA-N 0 1 285.391 3.523 20 0 CHADMN Cc1ccsc1[C@H](CO)N[C@H](C)c1cc(F)cc(F)c1 ZINC000537954151 1118181409 /nfs/dbraw/zinc/18/14/09/1118181409.db2.gz VVIOJRRHDMNWGF-YGRLFVJLSA-N 0 1 297.370 3.719 20 0 CHADMN c1cn2c(n1)[C@H](NCc1cccc3ccccc31)CCC2 ZINC000655703876 1118188245 /nfs/dbraw/zinc/18/82/45/1118188245.db2.gz MHIDHJQTXVAJRS-QGZVFWFLSA-N 0 1 277.371 3.661 20 0 CHADMN CC(C)COC[C@H](N[C@H]1CC[C@@H](C)SC1)c1ccco1 ZINC000655704768 1118188902 /nfs/dbraw/zinc/18/89/02/1118188902.db2.gz KHMMYSVVCWLESF-ILXRZTDVSA-N 0 1 297.464 3.867 20 0 CHADMN COc1cccc2cc(CN[C@@H](C)c3cncs3)oc21 ZINC000765688854 1118190099 /nfs/dbraw/zinc/19/00/99/1118190099.db2.gz HETRRDSXHOPSPJ-JTQLQIEISA-N 0 1 288.372 3.749 20 0 CHADMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000238068085 1118192125 /nfs/dbraw/zinc/19/21/25/1118192125.db2.gz CTBMPDXKTSEEIM-XJKSGUPXSA-N 0 1 287.790 3.939 20 0 CHADMN C[C@H](Cc1ccccc1F)NCc1nc(C(C)(C)C)co1 ZINC000921583969 1118202862 /nfs/dbraw/zinc/20/28/62/1118202862.db2.gz UMVFQJUELAZDHU-GFCCVEGCSA-N 0 1 290.382 3.832 20 0 CHADMN O=C([O-])C[N@@H+](CCCC1CCCCC1)Cc1ccccc1 ZINC000692426009 1118207212 /nfs/dbraw/zinc/20/72/12/1118207212.db2.gz JRSNHQDDAOYTAA-UHFFFAOYSA-N 0 1 289.419 3.934 20 0 CHADMN c1cc([C@@H]2CCCCN2CCCOCc2ccccc2)n[nH]1 ZINC000375616749 1118212360 /nfs/dbraw/zinc/21/23/60/1118212360.db2.gz JEPXNBOJSDEEMI-SFHVURJKSA-N 0 1 299.418 3.544 20 0 CHADMN Brc1c2ccccc2oc1CN[C@@H]1CC12CC2 ZINC000655795713 1118215099 /nfs/dbraw/zinc/21/50/99/1118215099.db2.gz FIFSJYQJERNHHN-GFCCVEGCSA-N 0 1 292.176 3.837 20 0 CHADMN Cc1cc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)no1 ZINC000029826285 1118216504 /nfs/dbraw/zinc/21/65/04/1118216504.db2.gz JOBYDMIDSVJNKS-CYBMUJFWSA-N 0 1 297.358 3.504 20 0 CHADMN Cc1ccc(NC(=O)c2cc(-c3ccco3)n[nH]2)c(C)c1 ZINC000029834055 1118216885 /nfs/dbraw/zinc/21/68/85/1118216885.db2.gz OUOGBVMVDMIJLP-UHFFFAOYSA-N 0 1 281.315 3.539 20 0 CHADMN COc1c(C)cccc1CN[C@@H](C)c1ccc(F)cc1 ZINC000655809621 1118219236 /nfs/dbraw/zinc/21/92/36/1118219236.db2.gz BPBSCPVKRYNIOV-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN C[C@H](CC(=O)NCc1ccc2nc[nH]c2c1)CC(C)(C)C ZINC000615790772 1128763481 /nfs/dbraw/zinc/76/34/81/1128763481.db2.gz XVPVFBDAGNVHSF-GFCCVEGCSA-N 0 1 287.407 3.642 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)Cc1cccc(Cl)c1 ZINC000051361527 1118220815 /nfs/dbraw/zinc/22/08/15/1118220815.db2.gz OLNRQTHWGZTMMR-UHFFFAOYSA-N 0 1 293.750 3.572 20 0 CHADMN COc1c(C)cccc1CN[C@@H](C)c1ccc(C)nc1C ZINC000655810079 1118220872 /nfs/dbraw/zinc/22/08/72/1118220872.db2.gz BKJGXOOCCCJUAY-AWEZNQCLSA-N 0 1 284.403 3.866 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)[C@H](C)c1cccs1 ZINC000051361600 1118221248 /nfs/dbraw/zinc/22/12/48/1118221248.db2.gz FCPXYJIZGURKHR-SECBINFHSA-N 0 1 279.361 3.541 20 0 CHADMN CC(C)c1cc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000615806702 1128763577 /nfs/dbraw/zinc/76/35/77/1128763577.db2.gz YWXJOEQHBRGSLY-XEZPLFJOSA-N 0 1 289.423 3.574 20 0 CHADMN C[C@H]1c2cccn2CCN1CCCOCCc1ccccc1 ZINC000051498913 1118223430 /nfs/dbraw/zinc/22/34/30/1118223430.db2.gz GSSLBNKHGSJOGB-KRWDZBQOSA-N 0 1 298.430 3.514 20 0 CHADMN CC[C@@H](C)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000032466162 1118225469 /nfs/dbraw/zinc/22/54/69/1118225469.db2.gz GYTIMPYWUVEZGG-SNVBAGLBSA-N 0 1 273.380 3.845 20 0 CHADMN COc1c(C)cccc1CNCc1ccc(F)cc1C ZINC000655832547 1118226401 /nfs/dbraw/zinc/22/64/01/1118226401.db2.gz WHGQTVRPKJOFTF-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN COc1c(C)cccc1CNCc1ccc(C)c(F)c1 ZINC000655831226 1118227197 /nfs/dbraw/zinc/22/71/97/1118227197.db2.gz FSLSTNCGYCRIQX-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN c1nc(-c2ccccc2)[nH]c1CN1CCc2ccccc21 ZINC000033617493 1118227543 /nfs/dbraw/zinc/22/75/43/1118227543.db2.gz VZDSLXJQWYARAP-UHFFFAOYSA-N 0 1 275.355 3.639 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)c1cccc2cn[nH]c21 ZINC000039555671 1118229393 /nfs/dbraw/zinc/22/93/93/1118229393.db2.gz YEQCUTOTAVUPEB-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN CC[C@@H](NCc1ncc(C(C)C)s1)[C@@H]1CCCCO1 ZINC000655856926 1118246334 /nfs/dbraw/zinc/24/63/34/1118246334.db2.gz QXHRHDSDMRAKIP-OLZOCXBDSA-N 0 1 282.453 3.704 20 0 CHADMN CC[C@H](C)C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615812197 1128765056 /nfs/dbraw/zinc/76/50/56/1128765056.db2.gz GVXAQQTWFUZFKI-VHSXEESVSA-N 0 1 293.798 3.782 20 0 CHADMN CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186174464 1118250437 /nfs/dbraw/zinc/25/04/37/1118250437.db2.gz SSEBHZSCTIYZRB-XHDPSFHLSA-N 0 1 299.842 3.739 20 0 CHADMN c1csc(C2CCN(Cc3cnc4ccccn34)CC2)c1 ZINC001203154136 1118251016 /nfs/dbraw/zinc/25/10/16/1118251016.db2.gz UFWRNSSYSGCGPF-UHFFFAOYSA-N 0 1 297.427 3.775 20 0 CHADMN CCC(CC)(CC)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000683637871 1118251908 /nfs/dbraw/zinc/25/19/08/1118251908.db2.gz ICDBWOKADOUHDO-UHFFFAOYSA-N 0 1 293.455 3.882 20 0 CHADMN CC[N@@H+](Cc1cc(C)c(C(=O)[O-])o1)Cc1ccccc1C ZINC000579967520 1118252402 /nfs/dbraw/zinc/25/24/02/1118252402.db2.gz NNCDSEPHKCYBNW-UHFFFAOYSA-N 0 1 287.359 3.617 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CCC[C@H]1c1cccs1 ZINC000046318442 1118262380 /nfs/dbraw/zinc/26/23/80/1118262380.db2.gz XHMMTNDLPALNBZ-ZDUSSCGKSA-N 0 1 297.383 3.602 20 0 CHADMN CC[C@H]1CCCN(Cc2nc(C(C)(C)C)co2)CC1 ZINC001652487269 1118271004 /nfs/dbraw/zinc/27/10/04/1118271004.db2.gz MRNBVYJBRVSQAF-ZDUSSCGKSA-N 0 1 264.413 3.984 20 0 CHADMN C[C@H](F)CCN[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000340468665 1118274249 /nfs/dbraw/zinc/27/42/49/1118274249.db2.gz KRPWRUVITDMCTR-BLLLJJGKSA-N 0 1 276.330 3.648 20 0 CHADMN C[C@@H](F)CCN[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000340468667 1118274341 /nfs/dbraw/zinc/27/43/41/1118274341.db2.gz KRPWRUVITDMCTR-MLGOLLRUSA-N 0 1 276.330 3.648 20 0 CHADMN CCOC1CC(CC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000189253676 1128770085 /nfs/dbraw/zinc/77/00/85/1128770085.db2.gz MPLVDNAEELEJPJ-LKSINWNRSA-N 0 1 297.826 3.901 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccccc2SC)n1 ZINC000282181970 1118279209 /nfs/dbraw/zinc/27/92/09/1118279209.db2.gz ZNKPTBRADLJUBI-GFCCVEGCSA-N 0 1 288.416 3.663 20 0 CHADMN CC(C)N(Cc1nc2ccccc2[nH]1)Cc1ccccc1 ZINC000074320499 1118281024 /nfs/dbraw/zinc/28/10/24/1118281024.db2.gz JYZMHHABBHOMSZ-UHFFFAOYSA-N 0 1 279.387 3.974 20 0 CHADMN CC(C)[C@H](NCc1ncc(Cl)n1C)c1ccccc1 ZINC000057627565 1118282110 /nfs/dbraw/zinc/28/21/10/1118282110.db2.gz BAUIJLJQXAZJHP-HNNXBMFYSA-N 0 1 277.799 3.560 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1ccc2occc2c1 ZINC000671710151 1118282174 /nfs/dbraw/zinc/28/21/74/1118282174.db2.gz XFCRQRWTIFYQAU-JTQLQIEISA-N 0 1 270.332 3.888 20 0 CHADMN CC(C)Cc1noc(CN[C@H]2CCCC[C@@H]2C(C)(C)C)n1 ZINC000107507661 1118282185 /nfs/dbraw/zinc/28/21/85/1118282185.db2.gz CXYISJONPWGTHT-KBPBESRZSA-N 0 1 293.455 3.963 20 0 CHADMN CCCCN(C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000057832169 1118284125 /nfs/dbraw/zinc/28/41/25/1118284125.db2.gz YHZNWIMFCNPOMW-UHFFFAOYSA-N 0 1 282.815 3.627 20 0 CHADMN CN(C)Cc1cc(NCc2cccc(O)c2)ccc1Cl ZINC000282197460 1118286307 /nfs/dbraw/zinc/28/63/07/1118286307.db2.gz LDBPAACHVSBEJD-UHFFFAOYSA-N 0 1 290.794 3.719 20 0 CHADMN Cc1cc([C@@H](C)Nc2cnn(-c3ccncc3)c2)c(C)o1 ZINC000683692651 1118288454 /nfs/dbraw/zinc/28/84/54/1118288454.db2.gz KDVZUBRKNPSVKL-GFCCVEGCSA-N 0 1 282.347 3.650 20 0 CHADMN COc1cc(CN(C)Cc2ccsc2)ccc1C ZINC000683696469 1118291913 /nfs/dbraw/zinc/29/19/13/1118291913.db2.gz KYWMMENHWXGLAO-UHFFFAOYSA-N 0 1 261.390 3.697 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C)cc2)c(OC)c1 ZINC000058888403 1118293749 /nfs/dbraw/zinc/29/37/49/1118293749.db2.gz QDGWCHUROAOPIS-UHFFFAOYSA-N 0 1 285.387 3.644 20 0 CHADMN c1ccc(-c2n[nH]c(SC3CCCCC3)n2)cc1 ZINC000059774821 1118295800 /nfs/dbraw/zinc/29/58/00/1118295800.db2.gz FEVJUSIQJLKASJ-UHFFFAOYSA-N 0 1 259.378 3.897 20 0 CHADMN COc1cc(CN[C@H]2COc3ccc(C)cc32)ccc1C ZINC000683706371 1118297619 /nfs/dbraw/zinc/29/76/19/1118297619.db2.gz UMNZLGOKNKVFLF-INIZCTEOSA-N 0 1 283.371 3.535 20 0 CHADMN CCCCN(CC)CC(=O)c1c(C)[nH]c2ccccc21 ZINC000060486486 1118299396 /nfs/dbraw/zinc/29/93/96/1118299396.db2.gz OEAMKMBCNAMPTF-UHFFFAOYSA-N 0 1 272.392 3.781 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C(C)(C)C)[nH]c2c1 ZINC000061234836 1118305830 /nfs/dbraw/zinc/30/58/30/1118305830.db2.gz MGEJPFRMZALNSS-AWEZNQCLSA-N 0 1 285.391 3.581 20 0 CHADMN CCc1ccc(-c2noc([C@H]3CCCCCN3)n2)cc1 ZINC000080989002 1118307326 /nfs/dbraw/zinc/30/73/26/1118307326.db2.gz JNOMKBNBPPFZEM-CQSZACIVSA-N 0 1 271.364 3.504 20 0 CHADMN CCc1ccc(-c2nc(CN3CCCC3)cs2)cc1 ZINC000061757174 1118307885 /nfs/dbraw/zinc/30/78/85/1118307885.db2.gz KBZAKLRTNSDSNN-UHFFFAOYSA-N 0 1 272.417 3.968 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H]1CCCc2ccc(O)cc21 ZINC000340501330 1118308906 /nfs/dbraw/zinc/30/89/06/1118308906.db2.gz XHSIHPFQLLKIDG-SJCJKPOMSA-N 0 1 298.386 3.524 20 0 CHADMN CN(Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000061779215 1118310027 /nfs/dbraw/zinc/31/00/27/1118310027.db2.gz OPBXKIGLUGRZAZ-UHFFFAOYSA-N 0 1 265.278 3.736 20 0 CHADMN CCc1cc(NCc2ccc3nc[nH]c3c2)ccc1F ZINC000671724686 1118313222 /nfs/dbraw/zinc/31/32/22/1118313222.db2.gz SFYQJFAEXDONEF-UHFFFAOYSA-N 0 1 269.323 3.877 20 0 CHADMN CC(C)CC[C@H](NCc1ncn(-c2ccccc2)n1)C1CC1 ZINC000340523683 1118315962 /nfs/dbraw/zinc/31/59/62/1118315962.db2.gz HTNHAHMGOHZNOI-KRWDZBQOSA-N 0 1 298.434 3.572 20 0 CHADMN CCCCN(C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000063517157 1118317056 /nfs/dbraw/zinc/31/70/56/1118317056.db2.gz ICFJQHHUJYYVRP-UHFFFAOYSA-N 0 1 283.419 3.593 20 0 CHADMN F[C@@H]1CCC[C@@H]1N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000340525473 1118317218 /nfs/dbraw/zinc/31/72/18/1118317218.db2.gz LGDFJEJQETWCPZ-QLFBSQMISA-N 0 1 275.367 3.913 20 0 CHADMN CC[C@H](N[C@@H]1CCC[C@@H]1F)c1cc(F)ccc1F ZINC000340525390 1118317369 /nfs/dbraw/zinc/31/73/69/1118317369.db2.gz IVZDPEQDWRDDKS-MELADBBJSA-N 0 1 257.299 3.896 20 0 CHADMN CC[C@H](N[C@@H]1CCC[C@@H]1F)c1cc(C)ccc1OC ZINC000340528842 1118318294 /nfs/dbraw/zinc/31/82/94/1118318294.db2.gz ZNWNPZQJKLTKHS-SOUVJXGZSA-N 0 1 265.372 3.935 20 0 CHADMN Cc1ccc(-c2noc(CN(C)CC3CCCC3)n2)cc1 ZINC000064021253 1118322622 /nfs/dbraw/zinc/32/26/22/1118322622.db2.gz ILMYQLLMZXOABR-UHFFFAOYSA-N 0 1 285.391 3.667 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]1F)CCS2 ZINC000340534239 1118326255 /nfs/dbraw/zinc/32/62/55/1118326255.db2.gz ZBPHMWCCNQXSNG-YNEHKIRRSA-N 0 1 269.360 3.843 20 0 CHADMN CC(C)c1nc(C[N@H+]2CCC3(CCOCC3)[C@@H]2C)cs1 ZINC000349271758 1118328206 /nfs/dbraw/zinc/32/82/06/1118328206.db2.gz CCKSGBYUANNMSA-ZDUSSCGKSA-N 0 1 294.464 3.658 20 0 CHADMN CC(C)c1nc(CN2CCC3(CCOCC3)[C@@H]2C)cs1 ZINC000349271758 1118328211 /nfs/dbraw/zinc/32/82/11/1118328211.db2.gz CCKSGBYUANNMSA-ZDUSSCGKSA-N 0 1 294.464 3.658 20 0 CHADMN Cc1scc(CN[C@H]2CCCc3cccnc32)c1C ZINC000399844782 1118330241 /nfs/dbraw/zinc/33/02/41/1118330241.db2.gz HYKMSSLRQPYKHN-HNNXBMFYSA-N 0 1 272.417 3.927 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(F)nc1 ZINC000189289373 1128770568 /nfs/dbraw/zinc/77/05/68/1128770568.db2.gz CDTDQUSSIBAKMF-NSHDSACASA-N 0 1 262.303 3.553 20 0 CHADMN COc1ccc(-c2nc(CN3CCCC[C@H]3C)co2)cc1 ZINC000042738009 1118338981 /nfs/dbraw/zinc/33/89/81/1118338981.db2.gz BFHUMMTZEYJHNG-CYBMUJFWSA-N 0 1 286.375 3.725 20 0 CHADMN CCN(C(=O)CN(C)CC(C)C)c1cccc2ccccc21 ZINC000065962517 1118341103 /nfs/dbraw/zinc/34/11/03/1118341103.db2.gz QPGRYYXNPIFTDH-UHFFFAOYSA-N 0 1 298.430 3.781 20 0 CHADMN COc1ccc(CN(C)Cc2cccs2)cc1F ZINC000042977576 1118343011 /nfs/dbraw/zinc/34/30/11/1118343011.db2.gz QYAWCHZNSOLIDE-UHFFFAOYSA-N 0 1 265.353 3.528 20 0 CHADMN C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000186210377 1118347605 /nfs/dbraw/zinc/34/76/05/1118347605.db2.gz GCHSUZTZVOOXII-MXWKQRLJSA-N 0 1 283.799 3.652 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccc3cnccc3c1)CO2 ZINC000683771091 1118353000 /nfs/dbraw/zinc/35/30/00/1118353000.db2.gz OMWLSGAWBQUCQG-SFHVURJKSA-N 0 1 290.366 3.767 20 0 CHADMN Fc1cc(F)cc(CNCc2ccc(F)c(F)c2)c1 ZINC000083512468 1118355174 /nfs/dbraw/zinc/35/51/74/1118355174.db2.gz RYFBHCGEJITWDJ-UHFFFAOYSA-N 0 1 269.241 3.533 20 0 CHADMN COc1cc(C)c([C@@H](C)N2CC(C(F)F)C2)cc1C ZINC000639252503 1118360225 /nfs/dbraw/zinc/36/02/25/1118360225.db2.gz IGRSOGYYDSEWGH-LLVKDONJSA-N 0 1 269.335 3.570 20 0 CHADMN Cc1cnn(CCSc2nc3ccc(Cl)cc3[nH]2)c1 ZINC000340575849 1118368296 /nfs/dbraw/zinc/36/82/96/1118368296.db2.gz AMUDHSSYVXGHFM-UHFFFAOYSA-N 0 1 292.795 3.514 20 0 CHADMN Cc1cc(C)nc(CN2CCCc3sccc3C2)c1 ZINC001167350710 1118375838 /nfs/dbraw/zinc/37/58/38/1118375838.db2.gz PGEMFSMEGXGVRT-UHFFFAOYSA-N 0 1 272.417 3.708 20 0 CHADMN Cc1cc(C(=O)CN2CCC[C@@H]2c2cccs2)c(C)[nH]1 ZINC000073621699 1118383751 /nfs/dbraw/zinc/38/37/51/1118383751.db2.gz LEUAMIWAGXCMGW-CQSZACIVSA-N 0 1 288.416 3.713 20 0 CHADMN FC(F)(F)[C@@H]1CCCC[C@@H]1NCc1nc2ccccc2[nH]1 ZINC000112340513 1118392600 /nfs/dbraw/zinc/39/26/00/1118392600.db2.gz BLYSDDSRCDHXNC-MNOVXSKESA-N 0 1 297.324 3.774 20 0 CHADMN Fc1cccc2c1CN(Cc1ccc3cnccc3c1)CC2 ZINC000683830724 1118396390 /nfs/dbraw/zinc/39/63/90/1118396390.db2.gz VSXGUNRNBKCQOJ-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN CC[C@@H](NCc1cccc(F)c1N)c1ccccc1F ZINC000639296622 1118398792 /nfs/dbraw/zinc/39/87/92/1118398792.db2.gz OCWAYDCYQQQUSI-OAHLLOKOSA-N 0 1 276.330 3.788 20 0 CHADMN C[C@H](N[C@@H]1CCS[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000683849060 1118409861 /nfs/dbraw/zinc/40/98/61/1118409861.db2.gz YWJRNXJVPPNSKL-XLPZGREQSA-N 0 1 296.383 3.707 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1cnc2ccccn12 ZINC000158511117 1118416770 /nfs/dbraw/zinc/41/67/70/1118416770.db2.gz HRYSILSJBARENK-GFCCVEGCSA-N 0 1 271.389 3.589 20 0 CHADMN Cc1nc(C)c(CNC(C)(C)c2cccc(Cl)c2)o1 ZINC000683899339 1118432755 /nfs/dbraw/zinc/43/27/55/1118432755.db2.gz DLJMUCGIODVGMO-UHFFFAOYSA-N 0 1 278.783 3.970 20 0 CHADMN Cc1nc(C)c(CN(Cc2ccccc2)C(C)C)o1 ZINC000683899769 1118434477 /nfs/dbraw/zinc/43/44/77/1118434477.db2.gz ZWFPICNQAOOSIY-UHFFFAOYSA-N 0 1 258.365 3.702 20 0 CHADMN CC(C)C[N@H+](CCC(=O)[O-])CCC1CCCCCC1 ZINC000656190477 1118434931 /nfs/dbraw/zinc/43/49/31/1118434931.db2.gz DTBXSHSUWFWSQZ-UHFFFAOYSA-N 0 1 269.429 3.780 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2CCc3ccc(F)cc32)s1 ZINC000089552722 1118439850 /nfs/dbraw/zinc/43/98/50/1118439850.db2.gz QJPBSFAOAGDGER-LKFCYVNXSA-N 0 1 276.380 3.929 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cc3ccccc3[nH]1)CO2 ZINC000683929123 1118448404 /nfs/dbraw/zinc/44/84/04/1118448404.db2.gz OAGCYLZTVWIHDU-KRWDZBQOSA-N 0 1 278.355 3.700 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2cc3ccccc3[nH]2)n[nH]1 ZINC000683931229 1118450382 /nfs/dbraw/zinc/45/03/82/1118450382.db2.gz WWXPNANMOYVYEQ-NEPJUHHUSA-N 0 1 297.406 3.650 20 0 CHADMN COc1cc(NCc2[nH]nc3ccccc32)ccc1Cl ZINC000683933102 1118451405 /nfs/dbraw/zinc/45/14/05/1118451405.db2.gz SMGHRRSSUTZSEZ-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN Cc1cccc(CNC/C=C\C2CC2)c1Br ZINC001658011365 1118461412 /nfs/dbraw/zinc/46/14/12/1118461412.db2.gz AAXRPBLDDPFPHE-HYXAFXHYSA-N 0 1 280.209 3.813 20 0 CHADMN CC[C@@H](C)c1cccc(NC(=O)N(C)Cc2cnc[nH]2)c1 ZINC000626657925 1128779716 /nfs/dbraw/zinc/77/97/16/1128779716.db2.gz CLHPDAAPVNSUPN-GFCCVEGCSA-N 0 1 286.379 3.587 20 0 CHADMN CC[C@@H]1COCCN1Cc1ccc(C(C)(C)CC)cc1 ZINC001167421391 1118483489 /nfs/dbraw/zinc/48/34/89/1118483489.db2.gz SCILCIKOOJMRLR-QGZVFWFLSA-N 0 1 275.436 3.985 20 0 CHADMN C[C@@H]1CN(Cc2ccc3occc3c2)C2(CCC2)CO1 ZINC000651974595 1118484926 /nfs/dbraw/zinc/48/49/26/1118484926.db2.gz JAIWUUQBRBRGIT-CYBMUJFWSA-N 0 1 271.360 3.576 20 0 CHADMN Cn1cncc1Nc1ccc(Cl)cc1OC(F)(F)F ZINC001211250218 1118487448 /nfs/dbraw/zinc/48/74/48/1118487448.db2.gz JDIFHQJUPOKPJY-UHFFFAOYSA-N 0 1 291.660 3.716 20 0 CHADMN COc1ccc(-c2ccccc2Nc2cncn2C)cc1 ZINC001211250346 1118488150 /nfs/dbraw/zinc/48/81/50/1118488150.db2.gz IKGRRIYWSQKOSP-UHFFFAOYSA-N 0 1 279.343 3.839 20 0 CHADMN Cn1cncc1Nc1cccc(-c2ccc(O)cc2)c1 ZINC001211252892 1118488271 /nfs/dbraw/zinc/48/82/71/1118488271.db2.gz ZSVJSVLYZXHMPN-UHFFFAOYSA-N 0 1 265.316 3.536 20 0 CHADMN CCN(CCC(F)(F)F)Cc1cc2ccccc2[nH]1 ZINC000684021482 1118489795 /nfs/dbraw/zinc/48/97/95/1118489795.db2.gz WCMHGJBYJLJGOP-UHFFFAOYSA-N 0 1 270.298 3.942 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](CO)c2ccsc2)cc(C)c1F ZINC000471615828 1118496756 /nfs/dbraw/zinc/49/67/56/1118496756.db2.gz XYLKVEDZNINIEN-DOMZBBRYSA-N 0 1 293.407 3.888 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@@H]3CCCC3(C)C)[nH]c2c1 ZINC000580732619 1118497540 /nfs/dbraw/zinc/49/75/40/1118497540.db2.gz YXFWDKIDFFVTAW-NSHDSACASA-N 0 1 271.364 3.636 20 0 CHADMN COc1cc(C)nc(CN[C@H](C)c2ccc(C)cc2)c1 ZINC000214056564 1118502803 /nfs/dbraw/zinc/50/28/03/1118502803.db2.gz RPJPNSLGSLATSG-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)c1ccccc1F ZINC001167434051 1118502935 /nfs/dbraw/zinc/50/29/35/1118502935.db2.gz RKPRDUUKTQDMDQ-IOASZLSFSA-N 0 1 275.367 3.661 20 0 CHADMN Cc1ncc(CN[C@H]2CCCc3ccc(Cl)cc32)o1 ZINC000580999375 1118532474 /nfs/dbraw/zinc/53/24/74/1118532474.db2.gz YIUDYUOOVDKJGE-HNNXBMFYSA-N 0 1 276.767 3.804 20 0 CHADMN COc1cc(F)c(F)cc1C[N@H+]1CCC[C@@](C)(F)CC1 ZINC001143387431 1118535399 /nfs/dbraw/zinc/53/53/99/1118535399.db2.gz IALAXKNPGPULRP-OAHLLOKOSA-N 0 1 287.325 3.688 20 0 CHADMN COc1cc(F)c(F)cc1CN1CCC[C@@](C)(F)CC1 ZINC001143387431 1118535402 /nfs/dbraw/zinc/53/54/02/1118535402.db2.gz IALAXKNPGPULRP-OAHLLOKOSA-N 0 1 287.325 3.688 20 0 CHADMN Cc1cc(OCc2cc(-c3ccco3)on2)cc(C)n1 ZINC000128168957 1118538527 /nfs/dbraw/zinc/53/85/27/1118538527.db2.gz GUUCFRQVXQDNSU-UHFFFAOYSA-N 0 1 270.288 3.525 20 0 CHADMN Oc1ccc([C@H]2CCC[N@H+]2Cc2ccc3c(n2)CCC3)cc1 ZINC000656425271 1118547682 /nfs/dbraw/zinc/54/76/82/1118547682.db2.gz FGDHDQOOMYCFAZ-LJQANCHMSA-N 0 1 294.398 3.613 20 0 CHADMN CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc([C@H]2CCCN2)no1 ZINC000647149071 1118554150 /nfs/dbraw/zinc/55/41/50/1118554150.db2.gz CYGXMTGWNAKQBS-DGAVXFQQSA-N 0 1 293.411 3.541 20 0 CHADMN C/C(=C/c1nc([C@@H]2CCCN2)no1)c1cccc(Cl)c1 ZINC000647151409 1118558167 /nfs/dbraw/zinc/55/81/67/1118558167.db2.gz FFIHXPOQBSFGIU-KJJQSCHISA-N 0 1 289.766 3.708 20 0 CHADMN C[C@@H](NC[C@H]1CCCCC1(F)F)c1cscn1 ZINC000296240990 1118564073 /nfs/dbraw/zinc/56/40/73/1118564073.db2.gz AVOGASPDRWJTJP-NXEZZACHSA-N 0 1 260.353 3.619 20 0 CHADMN COc1ccc(CN(C)Cc2cccc(C(F)F)c2)cn1 ZINC000684203815 1118565708 /nfs/dbraw/zinc/56/57/08/1118565708.db2.gz BMLOGOOCJAGLNL-UHFFFAOYSA-N 0 1 292.329 3.660 20 0 CHADMN Fc1ccc2sc(-c3nc([C@@H]4CCCN4)no3)cc2c1 ZINC000647155329 1118568009 /nfs/dbraw/zinc/56/80/09/1118568009.db2.gz XCSKJRBYFDFPKM-JTQLQIEISA-N 0 1 289.335 3.515 20 0 CHADMN FC1(F)CC[C@H](c2noc(-c3ccc4[nH]cnc4c3)n2)C1 ZINC000924050584 1118575290 /nfs/dbraw/zinc/57/52/90/1118575290.db2.gz BVCDKHFIPJZVAP-VIFPVBQESA-N 0 1 290.273 3.516 20 0 CHADMN Clc1cc(CN2CCCCCC2)cc2c1OCCCO2 ZINC000061744786 1118576891 /nfs/dbraw/zinc/57/68/91/1118576891.db2.gz JPCVUGFPANFVHI-UHFFFAOYSA-N 0 1 295.810 3.877 20 0 CHADMN Clc1ccnc(CN2C3CCCC2CCC3)c1 ZINC000706945851 1118578971 /nfs/dbraw/zinc/57/89/71/1118578971.db2.gz WBSUCAFMJHHROW-UHFFFAOYSA-N 0 1 250.773 3.642 20 0 CHADMN CCCCC[C@H](C(=O)N1C[C@@H](C)N(CC)C[C@@H]1C)C(C)C ZINC001127595016 1128787764 /nfs/dbraw/zinc/78/77/64/1128787764.db2.gz OLPMGKYSPZMAPS-IKGGRYGDSA-N 0 1 296.499 3.780 20 0 CHADMN Cc1cnc(CN[C@H](CC(C)C)c2ccccc2)n1C ZINC000341083486 1118600882 /nfs/dbraw/zinc/60/08/82/1118600882.db2.gz WOWYJHCEROYCMM-MRXNPFEDSA-N 0 1 271.408 3.606 20 0 CHADMN c1csc(CNc2ccc3c(c2)nc2n3CCCCC2)n1 ZINC000642803223 1118601434 /nfs/dbraw/zinc/60/14/34/1118601434.db2.gz LSWXIYFPDKHCQU-UHFFFAOYSA-N 0 1 298.415 3.831 20 0 CHADMN Cc1cnc(CN[C@@H](c2ccc(Cl)cc2)C(C)C)n1C ZINC000341115368 1118603624 /nfs/dbraw/zinc/60/36/24/1118603624.db2.gz GSHFYZGGEJXYQJ-MRXNPFEDSA-N 0 1 291.826 3.869 20 0 CHADMN C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CCCC1=O ZINC001207182344 1118607128 /nfs/dbraw/zinc/60/71/28/1118607128.db2.gz TXGVZQHVRGHHMO-IVMMDQJWSA-N 0 1 291.822 3.745 20 0 CHADMN FC1(F)CCC[C@H]1NC[C@@H]1C[C@H]1c1ccccc1 ZINC000656625317 1118612285 /nfs/dbraw/zinc/61/22/85/1118612285.db2.gz QVHZEVIKEYIPRV-MELADBBJSA-N 0 1 251.320 3.568 20 0 CHADMN CCc1ccc([C@H](NCc2cncnc2OC)C(C)C)cc1 ZINC000647168008 1118632667 /nfs/dbraw/zinc/63/26/67/1118632667.db2.gz BSTWNQKOKYSITD-QGZVFWFLSA-N 0 1 299.418 3.535 20 0 CHADMN C/C(=C\c1ccccc1)CN1CC(CC(F)(F)F)C1 ZINC000656686659 1118636259 /nfs/dbraw/zinc/63/62/59/1118636259.db2.gz VBGBAPOIHOJLIU-KPKJPENVSA-N 0 1 269.310 3.974 20 0 CHADMN CC(C)(C)c1ccc(CCN2CC(C(F)F)C2)cc1 ZINC000656691497 1118639023 /nfs/dbraw/zinc/63/90/23/1118639023.db2.gz CLSNAVMRNVRQMO-UHFFFAOYSA-N 0 1 267.363 3.724 20 0 CHADMN Cc1ccc(NC(=O)CN(C)[C@H](C)c2ccccc2)c(C)c1 ZINC000023039430 1118641418 /nfs/dbraw/zinc/64/14/18/1118641418.db2.gz QNWOMWLOHJCPAT-MRXNPFEDSA-N 0 1 296.414 3.935 20 0 CHADMN CCn1cc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)c(C)n1 ZINC000891441808 1118648319 /nfs/dbraw/zinc/64/83/19/1118648319.db2.gz XSKIPAQJQQIDHT-GOSISDBHSA-N 0 1 298.434 3.724 20 0 CHADMN CCn1cc(CN2CCCCC[C@@H]2c2ccncc2)c(C)n1 ZINC000891441808 1118648320 /nfs/dbraw/zinc/64/83/20/1118648320.db2.gz XSKIPAQJQQIDHT-GOSISDBHSA-N 0 1 298.434 3.724 20 0 CHADMN CC(C)c1ccc2c(c1)C[N@H+](CCCCCC(=O)[O-])CC2 ZINC000656758705 1118650032 /nfs/dbraw/zinc/65/00/32/1118650032.db2.gz LSCWNTORPPYLOY-UHFFFAOYSA-N 0 1 289.419 3.813 20 0 CHADMN Cc1cccc(C)c1[C@@H]1CCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000656757165 1118650162 /nfs/dbraw/zinc/65/01/62/1118650162.db2.gz KSGBUUUZLHZJIR-HNNXBMFYSA-N 0 1 299.370 3.932 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCCC2CCC2)[C@@H]2CCCC[C@@H]12 ZINC000656763997 1118651578 /nfs/dbraw/zinc/65/15/78/1118651578.db2.gz DTWZMKRLKYLFFE-ARFHVFGLSA-N 0 1 279.424 3.532 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CCCC2)[C@@H]2CCCC[C@H]12 ZINC000656762652 1118651592 /nfs/dbraw/zinc/65/15/92/1118651592.db2.gz BJUJAWGZWACFNB-BZUAXINKSA-N 0 1 279.424 3.532 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CCCC2)[C@@H]2CCCC[C@@H]12 ZINC000656762651 1118651667 /nfs/dbraw/zinc/65/16/67/1118651667.db2.gz BJUJAWGZWACFNB-ARFHVFGLSA-N 0 1 279.424 3.532 20 0 CHADMN CCOCc1ccccc1CN[C@@H](C)c1cnc(C)s1 ZINC000090401398 1118651729 /nfs/dbraw/zinc/65/17/29/1118651729.db2.gz GDFOBWCIKGPGNC-LBPRGKRZSA-N 0 1 290.432 3.839 20 0 CHADMN CC1CCC(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)CC1 ZINC000656765622 1118652716 /nfs/dbraw/zinc/65/27/16/1118652716.db2.gz LEXSXNTYUQMRSB-JWRYVHENSA-N 0 1 293.451 3.778 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC000656766709 1118653468 /nfs/dbraw/zinc/65/34/68/1118653468.db2.gz PKAQVFKKKFXYLB-ZDUSSCGKSA-N 0 1 269.429 3.634 20 0 CHADMN Cc1ccnc(NCc2ccnn2CC(C)C)c1C1CC1 ZINC000656779868 1118654322 /nfs/dbraw/zinc/65/43/22/1118654322.db2.gz WLFDQPWOCGGVPV-UHFFFAOYSA-N 0 1 284.407 3.732 20 0 CHADMN Cc1ccnc(NCc2nc3c(s2)CCC3)c1C1CC1 ZINC000656780038 1118654677 /nfs/dbraw/zinc/65/46/77/1118654677.db2.gz ZLHUVMSIWAAGJV-UHFFFAOYSA-N 0 1 285.416 3.825 20 0 CHADMN CCc1ccc(C)nc1NCc1ccc(COC)cc1 ZINC000656777823 1118656104 /nfs/dbraw/zinc/65/61/04/1118656104.db2.gz CVEJBNHZOTUCEX-UHFFFAOYSA-N 0 1 270.376 3.711 20 0 CHADMN CCc1ccc(C)nc1NCc1cnc2c(C)cccn12 ZINC000656778109 1118656183 /nfs/dbraw/zinc/65/61/83/1118656183.db2.gz MWVYBHZIPMQBMG-UHFFFAOYSA-N 0 1 280.375 3.521 20 0 CHADMN CCc1ccc(C)nc1NCc1ccc(OC)c(OC)c1 ZINC000656778160 1118656259 /nfs/dbraw/zinc/65/62/59/1118656259.db2.gz QFLDOYAJVATOJK-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN CCc1cccc(Cl)c1CNCc1cccc(N)c1 ZINC000656784974 1118657387 /nfs/dbraw/zinc/65/73/87/1118657387.db2.gz IGHGYZDDZBARHI-UHFFFAOYSA-N 0 1 274.795 3.774 20 0 CHADMN [O-]c1c(Cl)cccc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000180458096 1128792249 /nfs/dbraw/zinc/79/22/49/1128792249.db2.gz AIGYWCVKJWZIIQ-UHFFFAOYSA-N 0 1 295.810 3.581 20 0 CHADMN Cc1cnc(CN[C@@H]2c3ccccc3CCC[C@H]2C)n1C ZINC000341382228 1118682060 /nfs/dbraw/zinc/68/20/60/1118682060.db2.gz DBNDMFAXYXAMJA-ACJLOTCBSA-N 0 1 283.419 3.532 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N(C)Cc1cccc(=O)[nH]1 ZINC000933394985 1118684427 /nfs/dbraw/zinc/68/44/27/1118684427.db2.gz CJFPCUNJNBUHRW-LLVKDONJSA-N 0 1 276.767 3.634 20 0 CHADMN CC(C)C1CN(Cc2ccccc2C(F)(F)F)C1 ZINC000684408709 1118684467 /nfs/dbraw/zinc/68/44/67/1118684467.db2.gz NBRSNDGPVPPHPS-UHFFFAOYSA-N 0 1 257.299 3.793 20 0 CHADMN CCOc1ccc(CNCc2cncc(F)c2)cc1Cl ZINC000341397164 1118689852 /nfs/dbraw/zinc/68/98/52/1118689852.db2.gz CEKWANFXDATQEC-UHFFFAOYSA-N 0 1 294.757 3.563 20 0 CHADMN CC(C)CCN(CCC(C)C)C(=O)c1cnc(C2CC2)[nH]1 ZINC000341403289 1118692584 /nfs/dbraw/zinc/69/25/84/1118692584.db2.gz MLNHLIKLQYUDPH-UHFFFAOYSA-N 0 1 291.439 3.822 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(C)cc(C)n2)cc1 ZINC000723658405 1118693248 /nfs/dbraw/zinc/69/32/48/1118693248.db2.gz FTONNVZBXDVPRP-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1cccc(C(=O)Nc2nc(-c3cccs3)n[nH]2)c1C ZINC000077043893 1128794215 /nfs/dbraw/zinc/79/42/15/1128794215.db2.gz KXDMYHRBKGOMTE-UHFFFAOYSA-N 0 1 298.371 3.786 20 0 CHADMN Cn1ncc(C[N@H+]2CCC[C@H]2c2cccs2)c1C1CC1 ZINC000891498161 1118696281 /nfs/dbraw/zinc/69/62/81/1118696281.db2.gz HYJDBAABMVHXHR-AWEZNQCLSA-N 0 1 287.432 3.696 20 0 CHADMN COc1ncncc1CNC(C)(C)c1ccc(C(C)C)cc1 ZINC000647180632 1118697881 /nfs/dbraw/zinc/69/78/81/1118697881.db2.gz MBBUWEXLXGGMHC-UHFFFAOYSA-N 0 1 299.418 3.634 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000341415462 1118698931 /nfs/dbraw/zinc/69/89/31/1118698931.db2.gz YKACNAWDMMRUEB-CYBMUJFWSA-N 0 1 299.418 3.851 20 0 CHADMN Cc1ncc([C@H](C)NCc2cc3ccccc3[nH]2)s1 ZINC000090406425 1118700618 /nfs/dbraw/zinc/70/06/18/1118700618.db2.gz OKOJZACMTAKSIY-JTQLQIEISA-N 0 1 271.389 3.784 20 0 CHADMN CN(Cc1ccnn1C1CCC1)[C@H]1CCc2ccccc21 ZINC000891558436 1118709908 /nfs/dbraw/zinc/70/99/08/1118709908.db2.gz JKOWAAJUEQPAIM-SFHVURJKSA-N 0 1 281.403 3.727 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cnn(C3CCC3)c2)cc1 ZINC000891564789 1118710695 /nfs/dbraw/zinc/71/06/95/1118710695.db2.gz CJVIJPXUYQCHKV-CQSZACIVSA-N 0 1 299.418 3.810 20 0 CHADMN C[C@@H]1COc2ccccc2CN1Cc1cccs1 ZINC000341492098 1118716526 /nfs/dbraw/zinc/71/65/26/1118716526.db2.gz WGICRSZIOUKIIE-GFCCVEGCSA-N 0 1 259.374 3.531 20 0 CHADMN CN(CCSc1ccccc1F)Cc1ccco1 ZINC000341509131 1118717806 /nfs/dbraw/zinc/71/78/06/1118717806.db2.gz UHPKHAORXYYPNN-UHFFFAOYSA-N 0 1 265.353 3.643 20 0 CHADMN C[C@H]1Cc2cc(CN3CCC[C@@H]3c3ccccn3)ccc2O1 ZINC000891631820 1118726364 /nfs/dbraw/zinc/72/63/64/1118726364.db2.gz ZLZYILNFWNMJAA-KBXCAEBGSA-N 0 1 294.398 3.742 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226419409 1118730026 /nfs/dbraw/zinc/73/00/26/1118730026.db2.gz UAYHFTQHPVJGLI-RYUDHWBXSA-N 0 1 281.783 3.588 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnc(C)s1)c1ccncc1 ZINC000090417911 1118732940 /nfs/dbraw/zinc/73/29/40/1118732940.db2.gz GPEGUPKFIWFBOY-GXFFZTMASA-N 0 1 261.394 3.648 20 0 CHADMN CC(C)N(Cc1cnc(CC(F)(F)F)s1)C1CC1 ZINC000891660586 1118733431 /nfs/dbraw/zinc/73/34/31/1118733431.db2.gz AYMORYLWECPDSM-UHFFFAOYSA-N 0 1 278.343 3.621 20 0 CHADMN CC(C)CN(Cc1nc(C(C)(C)C)co1)C1CC1 ZINC000891667864 1118734829 /nfs/dbraw/zinc/73/48/29/1118734829.db2.gz JBMOEZFLPQSZOD-UHFFFAOYSA-N 0 1 250.386 3.593 20 0 CHADMN C[C@H](C1CC1)N(Cc1nc(C(C)(C)C)co1)C1CC1 ZINC000891668313 1118735024 /nfs/dbraw/zinc/73/50/24/1118735024.db2.gz NVLOWVFQZJWHQI-LLVKDONJSA-N 0 1 262.397 3.735 20 0 CHADMN CCC[C@@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000341580812 1118746113 /nfs/dbraw/zinc/74/61/13/1118746113.db2.gz GIEJQMWPWZKHNR-GFCCVEGCSA-N 0 1 252.789 3.747 20 0 CHADMN CCC[C@@H]1CCCN(Cc2ccncc2Cl)C1 ZINC000341580812 1118746114 /nfs/dbraw/zinc/74/61/14/1118746114.db2.gz GIEJQMWPWZKHNR-GFCCVEGCSA-N 0 1 252.789 3.747 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CCCO[C@@H]1CC(C)C ZINC000926213338 1118749696 /nfs/dbraw/zinc/74/96/96/1118749696.db2.gz PIAOWISFNIQINU-IJEWVQPXSA-N 0 1 292.423 3.544 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2ccc3c(c2)CCCO3)on1 ZINC000891718384 1118750505 /nfs/dbraw/zinc/75/05/05/1118750505.db2.gz KVBBXRCWVKAHDR-INIZCTEOSA-N 0 1 298.386 3.645 20 0 CHADMN Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[C@H](C)O3)on1 ZINC000891720177 1118750764 /nfs/dbraw/zinc/75/07/64/1118750764.db2.gz XBCBKARZXHNTRN-XJKSGUPXSA-N 0 1 298.386 3.644 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2ccc3c(c2)C[C@H](C)O3)on1 ZINC000891720177 1118750767 /nfs/dbraw/zinc/75/07/67/1118750767.db2.gz XBCBKARZXHNTRN-XJKSGUPXSA-N 0 1 298.386 3.644 20 0 CHADMN C(CC1CCCC1)c1nnc(SC[C@H]2CCCCO2)[nH]1 ZINC000119523744 1118752935 /nfs/dbraw/zinc/75/29/35/1118752935.db2.gz CVQXDGJCPXLHFZ-CYBMUJFWSA-N 0 1 295.452 3.589 20 0 CHADMN C(CC1CCCC1)c1n[nH]c(SC[C@H]2CCCCO2)n1 ZINC000119523744 1118752937 /nfs/dbraw/zinc/75/29/37/1118752937.db2.gz CVQXDGJCPXLHFZ-CYBMUJFWSA-N 0 1 295.452 3.589 20 0 CHADMN C(CC1CCCC1)c1nnc(SC[C@@H]2CCCCO2)[nH]1 ZINC000119523638 1118753101 /nfs/dbraw/zinc/75/31/01/1118753101.db2.gz CVQXDGJCPXLHFZ-ZDUSSCGKSA-N 0 1 295.452 3.589 20 0 CHADMN C(CC1CCCC1)c1n[nH]c(SC[C@@H]2CCCCO2)n1 ZINC000119523638 1118753104 /nfs/dbraw/zinc/75/31/04/1118753104.db2.gz CVQXDGJCPXLHFZ-ZDUSSCGKSA-N 0 1 295.452 3.589 20 0 CHADMN CCCC1CCC(N(C)C(=O)c2ccc3cncn3c2)CC1 ZINC000341614326 1118758562 /nfs/dbraw/zinc/75/85/62/1118758562.db2.gz YYJAUYWOZRWOMI-UHFFFAOYSA-N 0 1 299.418 3.765 20 0 CHADMN Cc1cccc(CN2CCC[C@H]2c2ccncc2)c1F ZINC000449321849 1118764444 /nfs/dbraw/zinc/76/44/44/1118764444.db2.gz VAIGFSGBUMDKDF-INIZCTEOSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@@]1(c2ccccc2)CC[C@@H]([N@H+]2CCO[C@H]3CCC[C@H]32)C1 ZINC000430873037 1118780553 /nfs/dbraw/zinc/78/05/53/1118780553.db2.gz OLAIMGPVOLSUDI-AKHDSKFASA-N 0 1 285.431 3.750 20 0 CHADMN C[C@@]1(c2ccccc2)CC[C@@H](N2CCO[C@H]3CCC[C@H]32)C1 ZINC000430873037 1118780556 /nfs/dbraw/zinc/78/05/56/1118780556.db2.gz OLAIMGPVOLSUDI-AKHDSKFASA-N 0 1 285.431 3.750 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2C[C@@H](C)n3ccnc32)c(C)c1 ZINC000293848795 1118781339 /nfs/dbraw/zinc/78/13/39/1118781339.db2.gz CMIPRUIYROKULH-IJEWVQPXSA-N 0 1 269.392 3.857 20 0 CHADMN COc1cccc(CN2CC(C)=C[C@@H](C)C2)c1OC(F)F ZINC000430878670 1118782363 /nfs/dbraw/zinc/78/23/63/1118782363.db2.gz OXKNEMJZNDVTRD-LLVKDONJSA-N 0 1 297.345 3.695 20 0 CHADMN COc1ccc(OC(F)F)c(CN2CC(C)=C[C@@H](C)C2)c1 ZINC000430882981 1118783422 /nfs/dbraw/zinc/78/34/22/1118783422.db2.gz NYUKVUWSKVPGHU-LLVKDONJSA-N 0 1 297.345 3.695 20 0 CHADMN CCCCOc1ccccc1CNCc1cccc(O)c1 ZINC000129320786 1118786766 /nfs/dbraw/zinc/78/67/66/1118786766.db2.gz SIMAWMODSDMPJJ-UHFFFAOYSA-N 0 1 285.387 3.861 20 0 CHADMN CC[C@H](N[C@@H](C)CCc1ccc(OC)cc1)C(F)F ZINC000449364743 1118797367 /nfs/dbraw/zinc/79/73/67/1118797367.db2.gz SWICIQFNSCFXOS-FZMZJTMJSA-N 0 1 271.351 3.650 20 0 CHADMN C[C@H](NCCSc1ccccc1F)c1nccs1 ZINC000091724200 1118802495 /nfs/dbraw/zinc/80/24/95/1118802495.db2.gz CYLCVRRGELFCNZ-JTQLQIEISA-N 0 1 282.409 3.725 20 0 CHADMN CC(C)(C)c1nc(CSCc2c(F)cccc2F)n[nH]1 ZINC000430988047 1118806466 /nfs/dbraw/zinc/80/64/66/1118806466.db2.gz IMCCFUFGOCESHO-UHFFFAOYSA-N 0 1 297.374 3.814 20 0 CHADMN C[C@@H]1CCCN(Cc2nc(C(C)(C)C)co2)[C@H]1C ZINC000891863407 1118811201 /nfs/dbraw/zinc/81/12/01/1118811201.db2.gz XGPHMOREKHDCQJ-NEPJUHHUSA-N 0 1 250.386 3.593 20 0 CHADMN COC(=O)c1sccc1CN(C1CC1)C1CCCCC1 ZINC000610675175 1118817952 /nfs/dbraw/zinc/81/79/52/1118817952.db2.gz FWXRAFBNAZPBBN-UHFFFAOYSA-N 0 1 293.432 3.832 20 0 CHADMN COc1ccc(F)c(F)c1CN1CCC[C@@H]1C(C)C ZINC001143412992 1118828159 /nfs/dbraw/zinc/82/81/59/1118828159.db2.gz JTMRWFHJGUWJMI-CYBMUJFWSA-N 0 1 269.335 3.594 20 0 CHADMN CC(C)CCOc1ccc(CNCc2ccoc2)cc1 ZINC000132162582 1118828874 /nfs/dbraw/zinc/82/88/74/1118828874.db2.gz QWIGGNFODWMLEC-UHFFFAOYSA-N 0 1 273.376 3.994 20 0 CHADMN c1ccc2c(c1)cccc2CNc1ccc2nn[nH]c2c1 ZINC000140693464 1128803421 /nfs/dbraw/zinc/80/34/21/1128803421.db2.gz DMBGTOYPPBWABX-UHFFFAOYSA-N 0 1 274.327 3.723 20 0 CHADMN c1ccc2c(c1)cccc2CNc1ccc2n[nH]nc2c1 ZINC000140693464 1128803425 /nfs/dbraw/zinc/80/34/25/1128803425.db2.gz DMBGTOYPPBWABX-UHFFFAOYSA-N 0 1 274.327 3.723 20 0 CHADMN COc1ccccc1-c1ccc(C[N@H+]2CCOC[C@H]2C)cc1 ZINC000091814926 1118834183 /nfs/dbraw/zinc/83/41/83/1118834183.db2.gz HFPMMKBBADZXEF-OAHLLOKOSA-N 0 1 297.398 3.583 20 0 CHADMN COc1ccccc1-c1ccc(CN2CCOC[C@H]2C)cc1 ZINC000091814926 1118834190 /nfs/dbraw/zinc/83/41/90/1118834190.db2.gz HFPMMKBBADZXEF-OAHLLOKOSA-N 0 1 297.398 3.583 20 0 CHADMN CC1(C)CN(Cc2cc3ccccc3s2)CCO1 ZINC000091917373 1118837169 /nfs/dbraw/zinc/83/71/69/1118837169.db2.gz LNLJAMDJBRINCG-UHFFFAOYSA-N 0 1 261.390 3.512 20 0 CHADMN CC(C)(C)c1nc(CN2CCCSC[C@@H]2C2CC2)co1 ZINC000933911500 1118841225 /nfs/dbraw/zinc/84/12/25/1118841225.db2.gz CIOVVPNHVXBAKQ-CQSZACIVSA-N 0 1 294.464 3.690 20 0 CHADMN CC(C)(C)c1cc(C[N@H+]2CCCSC[C@@H]2C2CC2)no1 ZINC000933918398 1118842566 /nfs/dbraw/zinc/84/25/66/1118842566.db2.gz SUTQWNUGEMJHOQ-CQSZACIVSA-N 0 1 294.464 3.690 20 0 CHADMN CC(C)(C)c1cc(CN2CCCSC[C@@H]2C2CC2)no1 ZINC000933918398 1118842572 /nfs/dbraw/zinc/84/25/72/1118842572.db2.gz SUTQWNUGEMJHOQ-CQSZACIVSA-N 0 1 294.464 3.690 20 0 CHADMN COc1cc2c(cc1F)nccc2NCc1ccoc1C ZINC000684569583 1118852606 /nfs/dbraw/zinc/85/26/06/1118852606.db2.gz DDUGHFSTTFDGJE-UHFFFAOYSA-N 0 1 286.306 3.896 20 0 CHADMN [O-]c1cccc2c(N[C@@H]3CCc4c3cccc4O)cc[nH+]c12 ZINC000684574248 1118858789 /nfs/dbraw/zinc/85/87/89/1118858789.db2.gz GKQBVWDZZHXABT-CQSZACIVSA-N 0 1 292.338 3.745 20 0 CHADMN [O-]c1cccc2c(N[C@H]3CCc4c3cccc4O)cc[nH+]c12 ZINC000684574147 1118859624 /nfs/dbraw/zinc/85/96/24/1118859624.db2.gz GKQBVWDZZHXABT-AWEZNQCLSA-N 0 1 292.338 3.745 20 0 CHADMN CCc1cnc(CN(C)c2cc[nH+]c3c([O-])cccc23)s1 ZINC000684575077 1118859709 /nfs/dbraw/zinc/85/97/09/1118859709.db2.gz RXWROPNJGRLXGM-UHFFFAOYSA-N 0 1 299.399 3.596 20 0 CHADMN CCCCCCC(=O)CSc1nc(C(C)(C)C)n[nH]1 ZINC000190238630 1128806073 /nfs/dbraw/zinc/80/60/73/1128806073.db2.gz QQWCXHFKMQVYSZ-UHFFFAOYSA-N 0 1 283.441 3.734 20 0 CHADMN CCCCCCC(=O)CSc1n[nH]c(C(C)(C)C)n1 ZINC000190238630 1128806079 /nfs/dbraw/zinc/80/60/79/1128806079.db2.gz QQWCXHFKMQVYSZ-UHFFFAOYSA-N 0 1 283.441 3.734 20 0 CHADMN CC(C)[C@H]1C[C@H](Nc2cc[nH+]c3c([O-])cccc23)CCO1 ZINC000684581694 1118868644 /nfs/dbraw/zinc/86/86/44/1118868644.db2.gz ZXMWHGUNPBFHBS-MLGOLLRUSA-N 0 1 286.375 3.556 20 0 CHADMN c1nc(C2CC2)c(CN2CCC[C@@H]2c2ccncc2)s1 ZINC000348919774 1118873149 /nfs/dbraw/zinc/87/31/49/1118873149.db2.gz HGFNAVYTPYYDBC-CQSZACIVSA-N 0 1 285.416 3.753 20 0 CHADMN COc1ccc(Cl)c(NCc2ccc3nc[nH]c3c2)c1 ZINC000535764899 1118881262 /nfs/dbraw/zinc/88/12/62/1118881262.db2.gz WMTGIGQOFMRWHD-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000294059896 1118896779 /nfs/dbraw/zinc/89/67/79/1118896779.db2.gz JYWHVTCFSVIXGE-VNHYZAJKSA-N 0 1 255.365 3.548 20 0 CHADMN Fc1cc(OCCN2CCC(F)(F)CC2)ccc1Cl ZINC000684623838 1118911485 /nfs/dbraw/zinc/91/14/85/1118911485.db2.gz JBQZSFCSLROBDP-UHFFFAOYSA-N 0 1 293.716 3.589 20 0 CHADMN Cc1nn(C)cc1CN1CCCC[C@H]1c1ccccc1F ZINC001204579171 1118920235 /nfs/dbraw/zinc/92/02/35/1118920235.db2.gz YWYHDNVLLZBAEW-KRWDZBQOSA-N 0 1 287.382 3.595 20 0 CHADMN CCC[C@H](N[C@@H](CC)C1CCCCC1)C(=O)OCC ZINC000097988396 1118925078 /nfs/dbraw/zinc/92/50/78/1118925078.db2.gz FWKDDXLRQTVPJZ-GJZGRUSLSA-N 0 1 269.429 3.667 20 0 CHADMN CCc1nc([C@@H](C)Sc2c(F)cc(F)cc2F)n[nH]1 ZINC000657244897 1118932192 /nfs/dbraw/zinc/93/21/92/1118932192.db2.gz POMGXFWPUFTJFT-ZCFIWIBFSA-N 0 1 287.310 3.638 20 0 CHADMN CC(C)c1cc(Nc2cnc(Br)s2)on1 ZINC001216265220 1118932696 /nfs/dbraw/zinc/93/26/96/1118932696.db2.gz NFEMEOYMFFVFNA-UHFFFAOYSA-N 0 1 288.170 3.761 20 0 CHADMN CCc1nc([C@H](C)Sc2cccc(Cl)c2)n[nH]1 ZINC000657246195 1118933460 /nfs/dbraw/zinc/93/34/60/1118933460.db2.gz SSPWDZNQNLIUPJ-QMMMGPOBSA-N 0 1 267.785 3.874 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc3c(c2)OCCCO3)o1 ZINC000047892514 1118941688 /nfs/dbraw/zinc/94/16/88/1118941688.db2.gz QOGAHSNGZUDPFP-CYBMUJFWSA-N 0 1 287.359 3.600 20 0 CHADMN COc1cccc(Cn2c(C)nc3c2CCCC3)c1Cl ZINC000657261656 1118941820 /nfs/dbraw/zinc/94/18/20/1118941820.db2.gz VXILUKCKERCEEH-UHFFFAOYSA-N 0 1 290.794 3.781 20 0 CHADMN CCc1nc([C@H](C)Sc2nccc3ccccc32)n[nH]1 ZINC000657264742 1118945108 /nfs/dbraw/zinc/94/51/08/1118945108.db2.gz ZQGUXEWERFWVQS-JTQLQIEISA-N 0 1 284.388 3.769 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1Cc1nc(C(C)(C)C)co1 ZINC000892069129 1118955121 /nfs/dbraw/zinc/95/51/21/1118955121.db2.gz XYGOTGJGQQZFLG-NEPJUHHUSA-N 0 1 250.386 3.593 20 0 CHADMN CCOc1ccc(CNCc2ccccc2OC)c(C)c1 ZINC000657284337 1118956342 /nfs/dbraw/zinc/95/63/42/1118956342.db2.gz PAHJWXWQZVRDDW-UHFFFAOYSA-N 0 1 285.387 3.692 20 0 CHADMN c1nc2cc(-c3noc([C@H]4CC45CCCC5)n3)ccc2[nH]1 ZINC000545023851 1118957293 /nfs/dbraw/zinc/95/72/93/1118957293.db2.gz GYXHENKGAOPYMP-LLVKDONJSA-N 0 1 280.331 3.661 20 0 CHADMN CN(Cc1ccco1)Cc1cccc(Br)c1 ZINC000042205679 1118959111 /nfs/dbraw/zinc/95/91/11/1118959111.db2.gz QJSHWQKNZMLFTJ-UHFFFAOYSA-N 0 1 280.165 3.674 20 0 CHADMN Cc1c[nH]c(CN[C@@H](CC(C)C)c2ccccc2)n1 ZINC000657290435 1118962229 /nfs/dbraw/zinc/96/22/29/1118962229.db2.gz QANONHYHYVESDC-HNNXBMFYSA-N 0 1 257.381 3.595 20 0 CHADMN CC[C@@H](NCc1cn2ccccc2n1)c1cccs1 ZINC000042322718 1118965050 /nfs/dbraw/zinc/96/50/50/1118965050.db2.gz QRKRAQMENGRGAP-CYBMUJFWSA-N 0 1 271.389 3.637 20 0 CHADMN Cc1c[nH]c(CN[C@@H](c2ccccc2)C(C)(C)C)n1 ZINC000657307870 1118979903 /nfs/dbraw/zinc/97/99/03/1118979903.db2.gz SSUWKKZFWWWBEJ-HNNXBMFYSA-N 0 1 257.381 3.595 20 0 CHADMN CC(C)N1C(=O)CN(CC[C@@H]2CCC[C@H](C)C2)CC1(C)C ZINC001167525773 1118987038 /nfs/dbraw/zinc/98/70/38/1118987038.db2.gz JWMDRPZDLUAJMZ-HOTGVXAUSA-N 0 1 294.483 3.534 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](C)NCc1cnn2c1CCC2 ZINC000657315367 1118992422 /nfs/dbraw/zinc/99/24/22/1118992422.db2.gz RPHVGMQSSCTXTC-CYBMUJFWSA-N 0 1 295.386 3.735 20 0 CHADMN Cc1cscc1-c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000582035027 1118993099 /nfs/dbraw/zinc/99/30/99/1118993099.db2.gz FLUGXTXDPACHOZ-UHFFFAOYSA-N 0 1 296.355 3.958 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1cccc(Cl)n1 ZINC000091993048 1119008392 /nfs/dbraw/zinc/00/83/92/1119008392.db2.gz XKAHRFQPASGAHR-CQSZACIVSA-N 0 1 275.783 3.713 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2ccc(Cl)cc2)nc1 ZINC000342413338 1119009667 /nfs/dbraw/zinc/00/96/67/1119009667.db2.gz ZLWLVPQNSSPSDU-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN Cc1cccc(CN[C@H](c2ncccc2C)C(C)(C)C)n1 ZINC000934290090 1119010011 /nfs/dbraw/zinc/01/00/11/1119010011.db2.gz VYENCGQDQAYYHG-QGZVFWFLSA-N 0 1 283.419 3.970 20 0 CHADMN CC(C)c1cnc(CNC[C@@H]2COc3ccccc32)s1 ZINC000342417265 1119011904 /nfs/dbraw/zinc/01/19/04/1119011904.db2.gz MWZUPWWQZTWVRT-GFCCVEGCSA-N 0 1 288.416 3.532 20 0 CHADMN Cc1ncc(CNCc2cc3ccc(C)cc3[nH]2)s1 ZINC000657347947 1119016959 /nfs/dbraw/zinc/01/69/59/1119016959.db2.gz IBXSZTJZCZUUAW-UHFFFAOYSA-N 0 1 271.389 3.531 20 0 CHADMN C[C@@H]1CN(Cc2cccc3[nH]c(=O)oc32)[C@@H]1c1ccccc1 ZINC000892194419 1119017886 /nfs/dbraw/zinc/01/78/86/1119017886.db2.gz FZIZLFXUUFSYIC-WBMJQRKESA-N 0 1 294.354 3.726 20 0 CHADMN C[C@@H](NCc1cc[nH]c1)c1ccc(Br)cc1F ZINC000342428129 1119021201 /nfs/dbraw/zinc/02/12/01/1119021201.db2.gz ZRRXSCQXITZQIM-SECBINFHSA-N 0 1 297.171 3.767 20 0 CHADMN CCCN(Cc1nc(C)c(C)[nH]1)[C@H]1CCc2ccccc21 ZINC000628139790 1128816272 /nfs/dbraw/zinc/81/62/72/1128816272.db2.gz QCHHHBXICFPLJF-KRWDZBQOSA-N 0 1 283.419 3.926 20 0 CHADMN CC1=CC[C@H](CC[N@H+]2CCc3ncccc3C2)C1(C)C ZINC001207281140 1119029675 /nfs/dbraw/zinc/02/96/75/1119029675.db2.gz WHSSOGOTDQSYTE-MRXNPFEDSA-N 0 1 270.420 3.822 20 0 CHADMN CC[C@@H]1C[C@@H](N[C@H](C)c2ccc(F)cc2Cl)CO1 ZINC000657364928 1119030781 /nfs/dbraw/zinc/03/07/81/1119030781.db2.gz RXKWVWZZLDCQPI-YUSALJHKSA-N 0 1 271.763 3.697 20 0 CHADMN CC(C)C1CCC(CN(C)Cc2ccon2)CC1 ZINC000582208100 1119033850 /nfs/dbraw/zinc/03/38/50/1119033850.db2.gz HQZJNZCEHPHPJT-UHFFFAOYSA-N 0 1 250.386 3.569 20 0 CHADMN Cc1cc(CN(CCC(F)(F)F)CC2CC2)cnc1F ZINC000892220864 1119034079 /nfs/dbraw/zinc/03/40/79/1119034079.db2.gz ZNIIJNGPOWISOM-UHFFFAOYSA-N 0 1 290.304 3.694 20 0 CHADMN CC(C)n1ccnc1CNCCc1cc2ccccc2o1 ZINC000657370780 1119037227 /nfs/dbraw/zinc/03/72/27/1119037227.db2.gz QFAHLFIRROVJHQ-UHFFFAOYSA-N 0 1 283.375 3.543 20 0 CHADMN Cc1nc2cc(Nc3c(C)ccnc3Cl)ccc2[nH]1 ZINC001213070260 1128817603 /nfs/dbraw/zinc/81/76/03/1128817603.db2.gz HHAHHDQOKSIRQT-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1nc2ccc(Nc3c(C)ccnc3Cl)cc2[nH]1 ZINC001213070260 1128817608 /nfs/dbraw/zinc/81/76/08/1128817608.db2.gz HHAHHDQOKSIRQT-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN CN(Cc1cnn(C)c1)Cc1cccc(-c2ccccc2)c1 ZINC000119714492 1119042359 /nfs/dbraw/zinc/04/23/59/1119042359.db2.gz ALIMNQFUZWLBDT-UHFFFAOYSA-N 0 1 291.398 3.719 20 0 CHADMN CC(C)n1ccnc1CN[C@H]1C[C@H]1C1CCCCC1 ZINC000657382651 1119043863 /nfs/dbraw/zinc/04/38/63/1119043863.db2.gz SORIHMCMRNUCFC-GJZGRUSLSA-N 0 1 261.413 3.522 20 0 CHADMN CC(C)CC1(c2nc(C3(N)CCCCC3)no2)CCC1 ZINC000582295842 1119047337 /nfs/dbraw/zinc/04/73/37/1119047337.db2.gz LJNHQJMUYMJZCR-UHFFFAOYSA-N 0 1 277.412 3.656 20 0 CHADMN Cc1c[nH]c(CN[C@@H](c2ccccc2C)C(C)(C)C)n1 ZINC000657389633 1119049943 /nfs/dbraw/zinc/04/99/43/1119049943.db2.gz ZNXOGBWMFUOYSB-INIZCTEOSA-N 0 1 271.408 3.904 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccnn2CC2CC2)cc1F ZINC000657392237 1119049972 /nfs/dbraw/zinc/04/99/72/1119049972.db2.gz PNXOQZDVGPFXPB-CYBMUJFWSA-N 0 1 287.382 3.591 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)C(=O)c1[nH]nc2ccccc21 ZINC000045192947 1119067009 /nfs/dbraw/zinc/06/70/09/1119067009.db2.gz PICBFZGADUYDPV-NSHDSACASA-N 0 1 297.333 3.535 20 0 CHADMN Cc1nsc(C)c1C[N@H+](C)[C@H](C)c1ccccc1 ZINC000582398699 1119072429 /nfs/dbraw/zinc/07/24/29/1119072429.db2.gz JYSASVYMNQIEGM-GFCCVEGCSA-N 0 1 260.406 3.953 20 0 CHADMN Cc1nsc(C)c1CN(C)[C@H](C)c1ccccc1 ZINC000582398699 1119072433 /nfs/dbraw/zinc/07/24/33/1119072433.db2.gz JYSASVYMNQIEGM-GFCCVEGCSA-N 0 1 260.406 3.953 20 0 CHADMN Cc1c[nH]c(CN[C@H](CC2CCC2)c2ccccc2)n1 ZINC000657429994 1119082655 /nfs/dbraw/zinc/08/26/55/1119082655.db2.gz VMMNCFXOUUWJBN-MRXNPFEDSA-N 0 1 269.392 3.739 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc3ccc(C)cc3o2)n(C)n1 ZINC000342584738 1119091513 /nfs/dbraw/zinc/09/15/13/1119091513.db2.gz XGZJMNQYIQGLBV-CYBMUJFWSA-N 0 1 283.375 3.634 20 0 CHADMN CN(CC[C@@H]1CCCO1)Cc1cc(Cl)ccc1Cl ZINC000342594078 1119094621 /nfs/dbraw/zinc/09/46/21/1119094621.db2.gz FXFXLCPBSLGQTJ-ZDUSSCGKSA-N 0 1 288.218 3.994 20 0 CHADMN CCn1ccc(CN(C)c2ccnc(C)c2Cl)c1 ZINC000684892226 1119098226 /nfs/dbraw/zinc/09/82/26/1119098226.db2.gz BEWPAVIJVQXOHN-UHFFFAOYSA-N 0 1 263.772 3.501 20 0 CHADMN c1cc(CNCc2ccc(C3CCC3)cc2)n(CC2CC2)n1 ZINC000657446720 1119100409 /nfs/dbraw/zinc/10/04/09/1119100409.db2.gz KKHICWQAOACFRQ-UHFFFAOYSA-N 0 1 295.430 3.850 20 0 CHADMN CCCn1nccc1CN[C@@H](C)c1ccccc1SC ZINC000657457991 1119109727 /nfs/dbraw/zinc/10/97/27/1119109727.db2.gz HNOUWXBENNERCI-ZDUSSCGKSA-N 0 1 289.448 3.866 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccnn1CC1CC1)CCC2 ZINC000657457518 1119109956 /nfs/dbraw/zinc/10/99/56/1119109956.db2.gz XVLGBRVZXJOJMR-GOSISDBHSA-N 0 1 299.393 3.599 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1[C@H](C)CCC[C@@H]1C ZINC000342646997 1119111155 /nfs/dbraw/zinc/11/11/55/1119111155.db2.gz DOXJZLZBSHMERE-BETUJISGSA-N 0 1 289.398 3.958 20 0 CHADMN CC1(C)CCC[C@H](NCc2nccc(C(F)F)n2)CC1 ZINC000657467300 1119113262 /nfs/dbraw/zinc/11/32/62/1119113262.db2.gz ZBFRYJKEXIHEHI-NSHDSACASA-N 0 1 283.366 3.863 20 0 CHADMN Cc1nc2ccc(COc3cccc(F)c3F)cc2[nH]1 ZINC000342654506 1119114004 /nfs/dbraw/zinc/11/40/04/1119114004.db2.gz INJXMLVLHKMORD-UHFFFAOYSA-N 0 1 274.270 3.729 20 0 CHADMN COCc1csc(CNC(C)(C)c2c(C)noc2C)c1 ZINC000657465550 1119114169 /nfs/dbraw/zinc/11/41/69/1119114169.db2.gz CIEYLVFGNPWLBA-UHFFFAOYSA-N 0 1 294.420 3.524 20 0 CHADMN C[C@H]1c2ccsc2CCN1Cc1ccc2c(c1)ncn2C ZINC000342675768 1119121246 /nfs/dbraw/zinc/12/12/46/1119121246.db2.gz MSDAIBBOHLNSOS-LBPRGKRZSA-N 0 1 297.427 3.754 20 0 CHADMN CSc1cccc(F)c1CNCc1cccs1 ZINC000352941845 1119121372 /nfs/dbraw/zinc/12/13/72/1119121372.db2.gz DPVBMOQEYYEPSP-UHFFFAOYSA-N 0 1 267.394 3.899 20 0 CHADMN CC[C@H]1[C@@H](C)CCN1Cc1ncc(CSC)s1 ZINC000352943382 1119123149 /nfs/dbraw/zinc/12/31/49/1119123149.db2.gz CLMQZEOTQRLBNX-JQWIXIFHSA-N 0 1 270.467 3.627 20 0 CHADMN Cc1cccc2[nH]c(CN[C@H]3COCc4ccccc43)cc21 ZINC000657495676 1119131435 /nfs/dbraw/zinc/13/14/35/1119131435.db2.gz YYRIERWZEPDDKK-IBGZPJMESA-N 0 1 292.382 3.837 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2cccnc21)c1ccncc1 ZINC000684956372 1119141394 /nfs/dbraw/zinc/14/13/94/1119141394.db2.gz BYLADXWKVAOSOZ-JKSUJKDBSA-N 0 1 267.376 3.595 20 0 CHADMN O=C(Nc1cccc2ccccc21)[C@@H]1CCCc2[nH]ncc21 ZINC000342728201 1119145058 /nfs/dbraw/zinc/14/50/58/1119145058.db2.gz DKCRMWLSKCIQQF-CQSZACIVSA-N 0 1 291.354 3.622 20 0 CHADMN Cc1ncc(CN2CC[C@@H](C)[C@H]2c2cccc(F)c2)o1 ZINC000628185252 1128824592 /nfs/dbraw/zinc/82/45/92/1128824592.db2.gz RRPFRCOJRSNKET-BZNIZROVSA-N 0 1 274.339 3.705 20 0 CHADMN CC[C@@H]1CN(Cc2nc(C)c[nH]2)CC[C@H]1c1ccccc1 ZINC000628188830 1128824738 /nfs/dbraw/zinc/82/47/38/1128824738.db2.gz KWTNUDDMYQNGBE-NVXWUHKLSA-N 0 1 283.419 3.734 20 0 CHADMN CC(C)[C@@H]1CCCC[C@H]1NCc1noc(C(C)(C)C)n1 ZINC000153036051 1119154840 /nfs/dbraw/zinc/15/48/40/1119154840.db2.gz YXHJLNCLXIQSTE-QWHCGFSZSA-N 0 1 279.428 3.672 20 0 CHADMN CC1(C)C[C@@H](NCc2csc(-c3ccsc3)n2)CO1 ZINC000657530874 1119159332 /nfs/dbraw/zinc/15/93/32/1119159332.db2.gz UMKGMBZATDJPBZ-LLVKDONJSA-N 0 1 294.445 3.529 20 0 CHADMN CC[C@H](NC(=O)[C@@H](C)N1CCCCCC1)c1cccs1 ZINC000074510227 1119166456 /nfs/dbraw/zinc/16/64/56/1119166456.db2.gz UXVFCGOKQVEJSF-KGLIPLIRSA-N 0 1 294.464 3.580 20 0 CHADMN CCc1cnc(CN2CC[C@H](c3ccccc3C)C2)o1 ZINC000075680183 1119179576 /nfs/dbraw/zinc/17/95/76/1119179576.db2.gz FHZCRTPYVAIEJF-AWEZNQCLSA-N 0 1 270.376 3.535 20 0 CHADMN CCc1cnc(CN(C)[C@H](CC)Cc2ccccc2)o1 ZINC000075768150 1119181280 /nfs/dbraw/zinc/18/12/80/1119181280.db2.gz DQFUHOQEPPAGPO-OAHLLOKOSA-N 0 1 272.392 3.690 20 0 CHADMN Cc1ccc(-c2nc(CN(C)C3CCC3)co2)cc1 ZINC000075841413 1119182282 /nfs/dbraw/zinc/18/22/82/1119182282.db2.gz TVTXWOVKXABFFU-UHFFFAOYSA-N 0 1 256.349 3.634 20 0 CHADMN Cc1[nH]ncc1CNc1ccc(Br)c(F)c1C ZINC000657570226 1119188416 /nfs/dbraw/zinc/18/84/16/1119188416.db2.gz GSTZQGKCQPQADI-UHFFFAOYSA-N 0 1 298.159 3.540 20 0 CHADMN CCO[C@@H](C)c1nc(CN(C)C(C)(C)CC)cs1 ZINC000076730562 1119189438 /nfs/dbraw/zinc/18/94/38/1119189438.db2.gz CXOFUKQYFZBYLS-NSHDSACASA-N 0 1 270.442 3.861 20 0 CHADMN C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N(C)CC1CC1 ZINC000077194452 1119190374 /nfs/dbraw/zinc/19/03/74/1119190374.db2.gz XEWWFJDVEZESAC-SNVBAGLBSA-N 0 1 291.782 3.793 20 0 CHADMN COc1cccc([C@H]2CCC[N@H+]2CCC(F)(F)F)c1 ZINC000077248290 1119190638 /nfs/dbraw/zinc/19/06/38/1119190638.db2.gz YHRZDEMLFPSADL-CYBMUJFWSA-N 0 1 273.298 3.785 20 0 CHADMN FC(F)(F)CC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000077251026 1119191058 /nfs/dbraw/zinc/19/10/58/1119191058.db2.gz JPSAGKURLKBFIC-NSHDSACASA-N 0 1 298.308 3.960 20 0 CHADMN CC(=CC(=O)Nc1c(C)n[nH]c1C(F)F)C(C)(C)C ZINC000779283734 1128827884 /nfs/dbraw/zinc/82/78/84/1128827884.db2.gz CVZREDWPZMKHJR-VOTSOKGWSA-N 0 1 271.311 3.587 20 0 CHADMN Fc1cc(Cl)cc(CN2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000342818369 1119192698 /nfs/dbraw/zinc/19/26/98/1119192698.db2.gz OFWCQSBJBUZUMT-HUUCEWRRSA-N 0 1 283.774 3.623 20 0 CHADMN COc1cccc(OC)c1CNCc1cc(C)ccc1C ZINC000657585278 1119198005 /nfs/dbraw/zinc/19/80/05/1119198005.db2.gz FRBNWIKHHVBOLN-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cc(C)nc(C)n2)c(C)c1 ZINC000342831061 1119199571 /nfs/dbraw/zinc/19/95/71/1119199571.db2.gz YLHSOITWFLFCPS-CQSZACIVSA-N 0 1 269.392 3.561 20 0 CHADMN FC(F)(F)[C@@H](CNCc1ccsc1)OC1CCCC1 ZINC000657587492 1119200176 /nfs/dbraw/zinc/20/01/76/1119200176.db2.gz VTOWBLAJQGMKCA-GFCCVEGCSA-N 0 1 293.354 3.728 20 0 CHADMN Cc1occc1CNC[C@@H](OC1CCCC1)C(F)(F)F ZINC000657588120 1119200869 /nfs/dbraw/zinc/20/08/69/1119200869.db2.gz MVDBQZZFLXVYHA-CYBMUJFWSA-N 0 1 291.313 3.568 20 0 CHADMN FC1(F)C[C@@H]1OCCNCc1ccc(Cl)cc1Cl ZINC000657619699 1119210107 /nfs/dbraw/zinc/21/01/07/1119210107.db2.gz ZBTNOCKKSQHNKZ-NSHDSACASA-N 0 1 296.144 3.507 20 0 CHADMN CCc1ncc(CNCc2cc(C)cc(C)c2)s1 ZINC000657625656 1119213318 /nfs/dbraw/zinc/21/33/18/1119213318.db2.gz AMISGYYXYLTJLP-UHFFFAOYSA-N 0 1 260.406 3.612 20 0 CHADMN COc1ccc(F)c(CNCc2cc(C)cc(C)c2)c1 ZINC000657625728 1119213539 /nfs/dbraw/zinc/21/35/39/1119213539.db2.gz DYGKMGZDCNDGFL-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN COc1ccc(CN2CC[C@@H]2C(C)C)c(Cl)c1OC ZINC000342862258 1119215277 /nfs/dbraw/zinc/21/52/77/1119215277.db2.gz QZWRCLZEGKQGAQ-GFCCVEGCSA-N 0 1 283.799 3.588 20 0 CHADMN c1nc(C2CC2)oc1CN1CCCc2ccccc2C1 ZINC000628163640 1119223618 /nfs/dbraw/zinc/22/36/18/1119223618.db2.gz LPMUUOXWHGPOFE-UHFFFAOYSA-N 0 1 268.360 3.500 20 0 CHADMN CCc1cccc(F)c1CNCc1cc(COC)cs1 ZINC000657659807 1119230042 /nfs/dbraw/zinc/23/00/42/1119230042.db2.gz WNLYMKFYHFERBV-UHFFFAOYSA-N 0 1 293.407 3.886 20 0 CHADMN Cc1cccnc1[C@H](N[C@@H](C)c1cncs1)C(C)C ZINC000120518273 1119241761 /nfs/dbraw/zinc/24/17/61/1119241761.db2.gz KXWLESQCQLFYAD-GXTWGEPZSA-N 0 1 275.421 3.894 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1Cc1ncc(COC)s1 ZINC000342925082 1119249879 /nfs/dbraw/zinc/24/98/79/1119249879.db2.gz HUYVDZFWNFNEOU-OCCSQVGLSA-N 0 1 282.453 3.690 20 0 CHADMN CCOc1ccc(CCN(C)Cc2nc(C)cs2)cc1 ZINC000934720935 1119250083 /nfs/dbraw/zinc/25/00/83/1119250083.db2.gz URTYYZXFMYHEQS-UHFFFAOYSA-N 0 1 290.432 3.525 20 0 CHADMN Oc1ccc2c(c1)[C@@H](NCc1ccc(Cl)c(F)c1)CC2 ZINC000657694572 1119250254 /nfs/dbraw/zinc/25/02/54/1119250254.db2.gz UBVJTMGTFSHTEH-INIZCTEOSA-N 0 1 291.753 3.962 20 0 CHADMN C[C@@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1ncc[nH]1 ZINC000138909991 1119250899 /nfs/dbraw/zinc/25/08/99/1119250899.db2.gz QZKGVNXEYBQZNO-YGRLFVJLSA-N 0 1 275.783 3.865 20 0 CHADMN CCOc1cccc2cc([C@H](C)NCc3c[nH]nc3C)oc21 ZINC000120862298 1119252168 /nfs/dbraw/zinc/25/21/68/1119252168.db2.gz IAPVOEHHCVSOOS-LBPRGKRZSA-N 0 1 299.374 3.714 20 0 CHADMN Fc1cccc(C[C@H]2CCCN2C/C=C/Cl)c1 ZINC000052012021 1119263000 /nfs/dbraw/zinc/26/30/00/1119263000.db2.gz YDWCRVKBVJPGAN-UFZAZABTSA-N 0 1 253.748 3.585 20 0 CHADMN CC[C@H](CN(CC)Cc1nc(C)c[nH]1)c1ccccc1 ZINC000628241169 1128834059 /nfs/dbraw/zinc/83/40/59/1128834059.db2.gz LGTWACFFNSKTFO-OAHLLOKOSA-N 0 1 271.408 3.734 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H]1CCCc2cccnc21 ZINC000091660259 1119278495 /nfs/dbraw/zinc/27/84/95/1119278495.db2.gz WSXFVSCYNAHKDY-XJKSGUPXSA-N 0 1 282.387 3.818 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@H]1CCCc2cccnc21 ZINC000091660262 1119278590 /nfs/dbraw/zinc/27/85/90/1119278590.db2.gz WSXFVSCYNAHKDY-CJNGLKHVSA-N 0 1 282.387 3.818 20 0 CHADMN COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C)nc2)cc1 ZINC000153728154 1119282332 /nfs/dbraw/zinc/28/23/32/1119282332.db2.gz GQIIKNOVMBLDLG-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2ccc(C)nc2)cc1 ZINC000153728154 1119282337 /nfs/dbraw/zinc/28/23/37/1119282337.db2.gz GQIIKNOVMBLDLG-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cn1 ZINC000153742832 1119284521 /nfs/dbraw/zinc/28/45/21/1119284521.db2.gz SGEDSHREVCZCBV-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)cn1 ZINC000153742832 1119284524 /nfs/dbraw/zinc/28/45/24/1119284524.db2.gz SGEDSHREVCZCBV-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cnc(CN[C@@H](C)c2ccc(C)cc2C)s1 ZINC000122977787 1119289139 /nfs/dbraw/zinc/28/91/39/1119289139.db2.gz ARKRFLIWUPJIBS-ZDUSSCGKSA-N 0 1 260.406 3.919 20 0 CHADMN Cc1ccc(CN2CCC(OC3CCCCC3)CC2)cn1 ZINC000153814703 1119290308 /nfs/dbraw/zinc/29/03/08/1119290308.db2.gz AVVVYRWBDCRKQV-UHFFFAOYSA-N 0 1 288.435 3.704 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccc(F)cn2)cc1 ZINC000147825434 1119294072 /nfs/dbraw/zinc/29/40/72/1119294072.db2.gz NCFNWXOIRSUKDK-VXGBXAGGSA-N 0 1 274.339 3.641 20 0 CHADMN Fc1cccc(CNCc2cnc(-c3ccncc3)s2)c1 ZINC000343073150 1119299446 /nfs/dbraw/zinc/29/94/46/1119299446.db2.gz SPIQVIJCWUKLKK-UHFFFAOYSA-N 0 1 299.374 3.634 20 0 CHADMN CC(C)(C)c1nc(CNC[C@H]2C(C)(C)C2(F)F)cs1 ZINC000657737031 1119304101 /nfs/dbraw/zinc/30/41/01/1119304101.db2.gz HPBWCEVFMPGRFJ-JTQLQIEISA-N 0 1 288.407 3.822 20 0 CHADMN Fc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)nc1 ZINC000343105973 1119312373 /nfs/dbraw/zinc/31/23/73/1119312373.db2.gz XFXWHTDZQAULCO-HNNXBMFYSA-N 0 1 276.742 3.651 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2cccnc2Cl)cc1 ZINC000124401951 1119313578 /nfs/dbraw/zinc/31/35/78/1119313578.db2.gz YOYYZKFBAZISNI-LBPRGKRZSA-N 0 1 290.794 3.732 20 0 CHADMN CC(C)[C@H](O)[C@@H](NCc1ccccc1F)c1ccccc1 ZINC000657742488 1119314851 /nfs/dbraw/zinc/31/48/51/1119314851.db2.gz RQJZTWFPLHOGIK-ROUUACIJSA-N 0 1 287.378 3.674 20 0 CHADMN CCc1nn(C)cc1CN[C@@H](C)c1oc2ccccc2c1C ZINC000092371337 1119332256 /nfs/dbraw/zinc/33/22/56/1119332256.db2.gz DTAJRACGVHEKCU-ZDUSSCGKSA-N 0 1 297.402 3.888 20 0 CHADMN Cc1noc(C)c1CN[C@@H](CC(C)C)c1ccncc1 ZINC000647284850 1119336487 /nfs/dbraw/zinc/33/64/87/1119336487.db2.gz MKVAEOGYYOWKEW-INIZCTEOSA-N 0 1 273.380 3.563 20 0 CHADMN CCC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000147895845 1119339730 /nfs/dbraw/zinc/33/97/30/1119339730.db2.gz ZBKLGMSBWMVCGI-YNEHKIRRSA-N 0 1 296.842 3.684 20 0 CHADMN Fc1cccc(Cl)c1C[C@H]1CCCN1Cc1ccno1 ZINC000080129721 1119341838 /nfs/dbraw/zinc/34/18/38/1119341838.db2.gz KGBOEZHDALJCLY-LLVKDONJSA-N 0 1 294.757 3.674 20 0 CHADMN CC(C)CCOc1ccccc1CNCc1ccn(C)c1 ZINC000343189395 1119345011 /nfs/dbraw/zinc/34/50/11/1119345011.db2.gz KTPLVNXDCLFXFJ-UHFFFAOYSA-N 0 1 286.419 3.740 20 0 CHADMN CCC[C@H](NCc1cccn1C)c1ccc(F)cc1F ZINC000150934825 1119346495 /nfs/dbraw/zinc/34/64/95/1119346495.db2.gz RHTPAYNMRXGJIJ-INIZCTEOSA-N 0 1 278.346 3.934 20 0 CHADMN Cc1ncc(CN[C@@H]2CC[C@H](C)c3ccccc32)o1 ZINC000335282541 1119363759 /nfs/dbraw/zinc/36/37/59/1119363759.db2.gz ZHDRALPHJUGUIR-MEDUHNTESA-N 0 1 256.349 3.711 20 0 CHADMN CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)Cc2ccccn2)CO1 ZINC000661194428 1119369957 /nfs/dbraw/zinc/36/99/57/1119369957.db2.gz PCRWTVSYQWULMA-GOSISDBHSA-N 0 1 296.414 3.651 20 0 CHADMN CC1(C)C[C@@H](N(Cc2ccccc2)Cc2ccccn2)CO1 ZINC000661194428 1119369959 /nfs/dbraw/zinc/36/99/59/1119369959.db2.gz PCRWTVSYQWULMA-GOSISDBHSA-N 0 1 296.414 3.651 20 0 CHADMN CN(Cc1ccc(Cl)cc1Cl)[C@@H]1CCSC1 ZINC000536068350 1119376352 /nfs/dbraw/zinc/37/63/52/1119376352.db2.gz BKWXCEJAXBYZTD-LLVKDONJSA-N 0 1 276.232 3.931 20 0 CHADMN Cc1ccc([C@H](N[C@@H](C)CC(C)(C)O)c2ccccn2)cc1 ZINC000926513458 1119383550 /nfs/dbraw/zinc/38/35/50/1119383550.db2.gz VQAPYFPYHCVNBU-YJBOKZPZSA-N 0 1 298.430 3.619 20 0 CHADMN c1nc(C2CC2)sc1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC000583665839 1119391848 /nfs/dbraw/zinc/39/18/48/1119391848.db2.gz PJOKSMRIGRENDJ-AWEZNQCLSA-N 0 1 274.433 3.785 20 0 CHADMN CC(C)N(Cc1csc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000628289045 1128843018 /nfs/dbraw/zinc/84/30/18/1128843018.db2.gz ZRDNFKDKYIPTLP-LLVKDONJSA-N 0 1 293.354 3.766 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]1c1ccccc1F)c1cc2n(n1)CCCC2 ZINC000647306682 1119407365 /nfs/dbraw/zinc/40/73/65/1119407365.db2.gz FCCOVZYDVHVGFL-XLWVJDPXSA-N 0 1 299.393 3.565 20 0 CHADMN Cc1c[nH]c(CN2CC3(CCCCC3)[C@@H]2C(C)C)n1 ZINC000628308671 1128844679 /nfs/dbraw/zinc/84/46/79/1128844679.db2.gz CKDAEXYTIODUOP-HNNXBMFYSA-N 0 1 261.413 3.509 20 0 CHADMN Cc1ccoc1CNCc1ccc(-c2cccnc2)cc1 ZINC000080536993 1119421477 /nfs/dbraw/zinc/42/14/77/1119421477.db2.gz GKCJARWIUBCAFG-UHFFFAOYSA-N 0 1 278.355 3.940 20 0 CHADMN CC[C@@H]1CCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000152681089 1119425107 /nfs/dbraw/zinc/42/51/07/1119425107.db2.gz UHRJPDLXXDEABU-CYBMUJFWSA-N 0 1 289.423 3.720 20 0 CHADMN COc1cc2c(cc1F)CC[C@@H]2NCc1ccoc1C ZINC000343466441 1119427284 /nfs/dbraw/zinc/42/72/84/1119427284.db2.gz BVFIWQVGIKMOJD-HNNXBMFYSA-N 0 1 275.323 3.513 20 0 CHADMN O=C([O-])c1occc1C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000583877286 1119429242 /nfs/dbraw/zinc/42/92/42/1119429242.db2.gz CRSSYXIHIOQXKE-UHFFFAOYSA-N 0 1 289.331 3.516 20 0 CHADMN C[C@H]1CN(Cc2ccc(F)c3cccnc23)CCC1(F)F ZINC000583900614 1119431815 /nfs/dbraw/zinc/43/18/15/1119431815.db2.gz MVTGQKPVRHJCGI-NSHDSACASA-N 0 1 294.320 3.851 20 0 CHADMN Cc1cc(CN2C[C@@H](C)OC3(CCC3)C2)cc2cccnc12 ZINC000583935489 1119436100 /nfs/dbraw/zinc/43/61/00/1119436100.db2.gz UCVMSMIXKZLMRR-OAHLLOKOSA-N 0 1 296.414 3.687 20 0 CHADMN COc1cccc(Cl)c1Cn1c(C)nc2c1CCCC2 ZINC000583946165 1119438540 /nfs/dbraw/zinc/43/85/40/1119438540.db2.gz RRBKMBRHRGODBR-UHFFFAOYSA-N 0 1 290.794 3.781 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1nc(C2CC2)cs1 ZINC000343516343 1119440030 /nfs/dbraw/zinc/44/00/30/1119440030.db2.gz VKISRRVHLHNFOU-GHMZBOCLSA-N 0 1 250.411 3.783 20 0 CHADMN C[C@@H]1CCC[C@H](N(C)Cc2cccnc2Cl)C1 ZINC000052709518 1119440952 /nfs/dbraw/zinc/44/09/52/1119440952.db2.gz YDUVDUXGFDIQRG-YPMHNXCESA-N 0 1 252.789 3.746 20 0 CHADMN Cc1ccccc1C1(N[C@H](C)c2cnc(C)nc2C)CC1 ZINC000647316240 1119441191 /nfs/dbraw/zinc/44/11/91/1119441191.db2.gz WGFOXNSVAQCSMU-CQSZACIVSA-N 0 1 281.403 3.742 20 0 CHADMN Cc1n[nH]c(C)c1C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000132212302 1119444247 /nfs/dbraw/zinc/44/42/47/1119444247.db2.gz PMNIFDPGUGHVQX-UHFFFAOYSA-N 0 1 273.380 3.564 20 0 CHADMN Cc1n[nH]c(C)c1CN(Cc1ccco1)C1CCCC1 ZINC000132212302 1119444252 /nfs/dbraw/zinc/44/42/52/1119444252.db2.gz PMNIFDPGUGHVQX-UHFFFAOYSA-N 0 1 273.380 3.564 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2NCCc1cc(C)ccc1F ZINC000926543245 1119448131 /nfs/dbraw/zinc/44/81/31/1119448131.db2.gz VOBUTNIERZTQQL-HNNXBMFYSA-N 0 1 288.366 3.640 20 0 CHADMN Cc1ncc([C@H](C)NCc2cccc(Cl)c2)c(C)n1 ZINC000132526855 1119450653 /nfs/dbraw/zinc/45/06/53/1119450653.db2.gz ZRLAJQNZBOYUGW-JTQLQIEISA-N 0 1 275.783 3.598 20 0 CHADMN Cc1oc2ccccc2c1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000343565795 1119456797 /nfs/dbraw/zinc/45/67/97/1119456797.db2.gz IDCRRQAJUBAYFN-UHFFFAOYSA-N 0 1 291.310 3.870 20 0 CHADMN CCc1nc(C)c(CN[C@@H](CC)c2ccsc2)o1 ZINC000294175652 1119457657 /nfs/dbraw/zinc/45/76/57/1119457657.db2.gz DAAOIBNTVYZCPC-LBPRGKRZSA-N 0 1 264.394 3.848 20 0 CHADMN CC(C)C[C@H]1CCN(Cc2nc(C3CC3)cs2)C1 ZINC000343578664 1119459962 /nfs/dbraw/zinc/45/99/62/1119459962.db2.gz NMDBGJPGVIGEEI-GFCCVEGCSA-N 0 1 264.438 3.889 20 0 CHADMN CCN(C[C@H]1CCCO1)[C@@H](C)c1cc(F)ccc1F ZINC000343591502 1119465271 /nfs/dbraw/zinc/46/52/71/1119465271.db2.gz CIDROUVBAGJVQP-WCQYABFASA-N 0 1 269.335 3.527 20 0 CHADMN Cc1cccc(CN2CCC(c3ccccc3F)CC2)n1 ZINC000584079030 1119472105 /nfs/dbraw/zinc/47/21/05/1119472105.db2.gz KRBKOBWPKXCAMH-UHFFFAOYSA-N 0 1 284.378 3.909 20 0 CHADMN C[C@H](C1CC1)[N@@H+](CC[C@@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000565102651 1119472911 /nfs/dbraw/zinc/47/29/11/1119472911.db2.gz HNUGMLMJOIDBOA-CXAGYDPISA-N 0 1 287.403 3.508 20 0 CHADMN CC[C@H](NCc1ccc2c(c1)OCO2)c1ccccc1F ZINC000168744165 1119474650 /nfs/dbraw/zinc/47/46/50/1119474650.db2.gz UVWZFWYEPKQWEI-HNNXBMFYSA-N 0 1 287.334 3.795 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1CN(C)[C@@H](C)c1nc(C)no1 ZINC000628327677 1128848550 /nfs/dbraw/zinc/84/85/50/1128848550.db2.gz MCPHVJZGCTWVHR-IACUBPJLSA-N 0 1 265.401 3.587 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCCCCC(=O)[O-] ZINC000565104858 1119477620 /nfs/dbraw/zinc/47/76/20/1119477620.db2.gz LAVHUUWASOJAOL-WBVHZDCISA-N 0 1 289.419 3.900 20 0 CHADMN Cn1nccc1[C@@H]1CCCCN1Cc1coc2ccccc12 ZINC000343651221 1119480087 /nfs/dbraw/zinc/48/00/87/1119480087.db2.gz AZABCAIMEVOFBK-KRWDZBQOSA-N 0 1 295.386 3.894 20 0 CHADMN Cc1cccc(CN(Cc2cccc(C)n2)CC2(C)CC2)n1 ZINC000566891476 1119481652 /nfs/dbraw/zinc/48/16/52/1119481652.db2.gz AXYIBAGWDUQDLO-UHFFFAOYSA-N 0 1 295.430 3.896 20 0 CHADMN CCn1cccc1CN(C)Cc1ccc(OC)c(Cl)c1 ZINC000343691488 1119487774 /nfs/dbraw/zinc/48/77/74/1119487774.db2.gz SCFVIJPPWXXCRD-UHFFFAOYSA-N 0 1 292.810 3.802 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1cc(F)c(F)c(F)c1 ZINC000584318845 1119498959 /nfs/dbraw/zinc/49/89/59/1119498959.db2.gz DNUQJFSRKUUNFZ-GXSJLCMTSA-N 0 1 257.299 3.867 20 0 CHADMN CC(C)=CCN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076182185 1119499021 /nfs/dbraw/zinc/49/90/21/1119499021.db2.gz BGVJOCVSKDVDKQ-DTORHVGOSA-N 0 1 275.236 3.625 20 0 CHADMN CCN(Cc1c[nH]c2ccccc12)Cc1cncc(OC)c1 ZINC000343743059 1119500694 /nfs/dbraw/zinc/50/06/94/1119500694.db2.gz HDPWHKNOSAAPLQ-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000302736605 1119501643 /nfs/dbraw/zinc/50/16/43/1119501643.db2.gz IDNDKNZPUOZRLF-INIZCTEOSA-N 0 1 298.405 3.705 20 0 CHADMN CCC1(CC)[C@H](N(C)Cc2cnc(C3CC3)o2)C[C@@H]1OC ZINC000628191021 1119502777 /nfs/dbraw/zinc/50/27/77/1119502777.db2.gz XMYCRGPJLINECM-CABCVRRESA-N 0 1 292.423 3.578 20 0 CHADMN Fc1cccc(Cl)c1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000080961104 1119507334 /nfs/dbraw/zinc/50/73/34/1119507334.db2.gz WIZRWANCFWXXCA-LLVKDONJSA-N 0 1 293.773 3.582 20 0 CHADMN C[C@H](NC1(c2cccc(F)c2)CCC1)c1ccccn1 ZINC000647330185 1119508890 /nfs/dbraw/zinc/50/88/90/1119508890.db2.gz DZHBIWAOMZDZEA-ZDUSSCGKSA-N 0 1 270.351 3.951 20 0 CHADMN CC(C)COc1cccc(CN[C@H]2CCCn3nccc32)c1 ZINC000657847330 1119509421 /nfs/dbraw/zinc/50/94/21/1119509421.db2.gz BCQQPBDYNAGJIA-KRWDZBQOSA-N 0 1 299.418 3.543 20 0 CHADMN CCSc1ccc([C@H](C)NCc2cnc(C)nc2)cc1 ZINC000348795375 1119512241 /nfs/dbraw/zinc/51/22/41/1119512241.db2.gz CQGLQCUVQPQOMJ-LBPRGKRZSA-N 0 1 287.432 3.748 20 0 CHADMN COCCCCN1CC[C@H]1c1ccc(Cl)cc1 ZINC000081605187 1119518854 /nfs/dbraw/zinc/51/88/54/1119518854.db2.gz PUIWLWSPOBLQNL-AWEZNQCLSA-N 0 1 253.773 3.513 20 0 CHADMN CCCCN(Cc1csnn1)[C@H]1CCC[C@@H](C)C1 ZINC000562856956 1119535628 /nfs/dbraw/zinc/53/56/28/1119535628.db2.gz PLQSQXHBJBFUNT-OCCSQVGLSA-N 0 1 267.442 3.719 20 0 CHADMN Cc1ncc([C@H](C)N[C@H]2CCc3ccc(F)cc32)c(C)n1 ZINC000089552410 1119541861 /nfs/dbraw/zinc/54/18/61/1119541861.db2.gz NXFUHJBCTQCFNN-GTNSWQLSSA-N 0 1 285.366 3.571 20 0 CHADMN CC(C)c1noc(CN2CC[C@H](Cc3ccccc3)[C@H]2C)n1 ZINC000472322684 1119546026 /nfs/dbraw/zinc/54/60/26/1119546026.db2.gz ROSYHJYJMPJLDK-GDBMZVCRSA-N 0 1 299.418 3.646 20 0 CHADMN Cc1cccc2nc(CN[C@@H](c3cccs3)C3CC3)cn21 ZINC000091336249 1119555634 /nfs/dbraw/zinc/55/56/34/1119555634.db2.gz OJYQHZNLJNVUAJ-QGZVFWFLSA-N 0 1 297.427 3.945 20 0 CHADMN COc1ccc([C@H](NCc2ncccc2F)C(C)C)cc1 ZINC000091402758 1119556429 /nfs/dbraw/zinc/55/64/29/1119556429.db2.gz VSWUQCJMKOWIBA-QGZVFWFLSA-N 0 1 288.366 3.716 20 0 CHADMN Cc1nc(CN[C@@H](C)C(C)(C)C(F)F)nc2ccccc12 ZINC000657865658 1119558743 /nfs/dbraw/zinc/55/87/43/1119558743.db2.gz SJWPVLFDPIENHC-NSHDSACASA-N 0 1 293.361 3.708 20 0 CHADMN CC(C)CO[C@H]1CCN(Cc2cnc(C3CCC3)s2)C1 ZINC000091964708 1119560366 /nfs/dbraw/zinc/56/03/66/1119560366.db2.gz QZLOYSOWOZGCDV-AWEZNQCLSA-N 0 1 294.464 3.658 20 0 CHADMN Cc1ccc(OC(F)F)c(CN(C)C[C@H]2CCCCO2)c1 ZINC000092428758 1119562169 /nfs/dbraw/zinc/56/21/69/1119562169.db2.gz UMERNEHQTPCTLN-CQSZACIVSA-N 0 1 299.361 3.597 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2ccc(F)cn2)c(C)c1 ZINC000092742969 1119565147 /nfs/dbraw/zinc/56/51/47/1119565147.db2.gz KYGZNCJODBEYPA-AWEZNQCLSA-N 0 1 272.367 3.997 20 0 CHADMN Cc1cc(CN2CC=C(c3cccc(C)c3)CC2)on1 ZINC000092822243 1119567141 /nfs/dbraw/zinc/56/71/41/1119567141.db2.gz GQTYVZZRVZQBPI-UHFFFAOYSA-N 0 1 268.360 3.581 20 0 CHADMN CCC[C@H]1CCCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000343797834 1119568413 /nfs/dbraw/zinc/56/84/13/1119568413.db2.gz OPHLHGQISDGLGF-ZDUSSCGKSA-N 0 1 285.391 3.524 20 0 CHADMN CN(Cc1nc2ccccc2o1)Cc1cccc2[nH]ccc21 ZINC000093339247 1119568819 /nfs/dbraw/zinc/56/88/19/1119568819.db2.gz VRPMETCRHHDRQU-UHFFFAOYSA-N 0 1 291.354 3.941 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2nccn2Cc2ccccc2)C1 ZINC000093337064 1119569032 /nfs/dbraw/zinc/56/90/32/1119569032.db2.gz WVBSSCYMGHLZLZ-RDJZCZTQSA-N 0 1 283.419 3.552 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1CCCc2ccc(F)cc21 ZINC000093116379 1119569954 /nfs/dbraw/zinc/56/99/54/1119569954.db2.gz DOIFABJFCMDURX-MRXNPFEDSA-N 0 1 274.339 3.598 20 0 CHADMN CCn1c(CN(C)[C@@H](C)CCSC)nc2ccccc21 ZINC000093559004 1119571391 /nfs/dbraw/zinc/57/13/91/1119571391.db2.gz XVWWQXSHDFQUQL-ZDUSSCGKSA-N 0 1 291.464 3.630 20 0 CHADMN CCc1cnc(CN(C)C[C@@H]2C[C@@H]2c2ccccc2)s1 ZINC000093807600 1119571511 /nfs/dbraw/zinc/57/15/11/1119571511.db2.gz UVUMLHXVLTVCAF-GOEBONIOSA-N 0 1 286.444 3.941 20 0 CHADMN CCc1ncc(CN2C[C@@H](C)[C@@H]2c2ccccc2)s1 ZINC000093867407 1119572577 /nfs/dbraw/zinc/57/25/77/1119572577.db2.gz ADYKMJNHPKEQPO-MLGOLLRUSA-N 0 1 272.417 3.899 20 0 CHADMN C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000140533271 1119579189 /nfs/dbraw/zinc/57/91/89/1119579189.db2.gz CHZNIBMBTLADRF-RYUDHWBXSA-N 0 1 299.361 3.848 20 0 CHADMN C[C@@H](c1ccc(OC(F)F)cc1)N1C[C@H](C)OC(C)(C)C1 ZINC000140533271 1119579191 /nfs/dbraw/zinc/57/91/91/1119579191.db2.gz CHZNIBMBTLADRF-RYUDHWBXSA-N 0 1 299.361 3.848 20 0 CHADMN FC(F)(F)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000144487546 1119582211 /nfs/dbraw/zinc/58/22/11/1119582211.db2.gz QKDQOSCFRINFRY-UHFFFAOYSA-N 0 1 266.675 3.871 20 0 CHADMN COc1cc(CN[C@@H](C)c2oc3ccccc3c2C)ccn1 ZINC000171140928 1119582466 /nfs/dbraw/zinc/58/24/66/1119582466.db2.gz MOHCYHDZROHGTO-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN CC(C)(C)c1ccc(CN2CCOC(C)(C)C2)cc1 ZINC000205777336 1119587631 /nfs/dbraw/zinc/58/76/31/1119587631.db2.gz DZIGJCQEIVDFLT-UHFFFAOYSA-N 0 1 261.409 3.595 20 0 CHADMN CCCCSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000210229895 1119587762 /nfs/dbraw/zinc/58/77/62/1119587762.db2.gz NTHNZAZJIXZDFW-FPLPWBNLSA-N 0 1 263.366 3.769 20 0 CHADMN CCCC[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000211531640 1119587973 /nfs/dbraw/zinc/58/79/73/1119587973.db2.gz KWOJWPZSYIDSMX-LBPRGKRZSA-N 0 1 289.297 3.563 20 0 CHADMN C[N@@H+](CCCCCC(=O)[O-])Cc1ccc2ccccc2c1 ZINC000163690769 1119592710 /nfs/dbraw/zinc/59/27/10/1119592710.db2.gz MKLZTUBMYBNJJA-UHFFFAOYSA-N 0 1 285.387 3.917 20 0 CHADMN COC1CCC(CNc2ccc(CN(C)C)c(F)c2)CC1 ZINC000892388905 1119593477 /nfs/dbraw/zinc/59/34/77/1119593477.db2.gz NKLGFEANPBBMHR-UHFFFAOYSA-N 0 1 294.414 3.504 20 0 CHADMN CC[C@H](C)C[C@H](CO)N[C@@H](c1ccccc1)c1ccccn1 ZINC000647337999 1119593921 /nfs/dbraw/zinc/59/39/21/1119593921.db2.gz YMZKHXOBEYMCPB-WDYCEAGBSA-N 0 1 298.430 3.558 20 0 CHADMN Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2Cc2cncnc2)cc1 ZINC000129082915 1119599994 /nfs/dbraw/zinc/59/99/94/1119599994.db2.gz RDYIACFISKBIRQ-YJBOKZPZSA-N 0 1 281.403 3.758 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+](CC)Cc1ncccc1[O-] ZINC000685410873 1119604239 /nfs/dbraw/zinc/60/42/39/1119604239.db2.gz XCIPGWBZXYACEZ-INIZCTEOSA-N 0 1 270.376 3.760 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1ncccc1[O-] ZINC000685410873 1119604240 /nfs/dbraw/zinc/60/42/40/1119604240.db2.gz XCIPGWBZXYACEZ-INIZCTEOSA-N 0 1 270.376 3.760 20 0 CHADMN Cc1ccc([C@H](N[C@H](c2nccn2C)C2CC2)C2CC2)cc1 ZINC000685439543 1119608701 /nfs/dbraw/zinc/60/87/01/1119608701.db2.gz RDQQIYGCQQSMNY-ROUUACIJSA-N 0 1 295.430 3.921 20 0 CHADMN c1nc(C2CC2)sc1CN1CCC(c2cccnc2)CC1 ZINC000685455932 1119610841 /nfs/dbraw/zinc/61/08/41/1119610841.db2.gz DFRYNZQJXJYWFV-UHFFFAOYSA-N 0 1 299.443 3.795 20 0 CHADMN c1c2ccccc2[nH]c1CN1CCC[C@@H]1c1cccnc1 ZINC000685452982 1119611028 /nfs/dbraw/zinc/61/10/28/1119611028.db2.gz UXMCJHNODXJYFW-GOSISDBHSA-N 0 1 277.371 3.900 20 0 CHADMN c1c2ccccc2[nH]c1CN1CCC[C@H]1c1cccnc1 ZINC000685452983 1119611061 /nfs/dbraw/zinc/61/10/61/1119611061.db2.gz UXMCJHNODXJYFW-SFHVURJKSA-N 0 1 277.371 3.900 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1n[nH]c2ccccc12 ZINC000685469965 1119612386 /nfs/dbraw/zinc/61/23/86/1119612386.db2.gz ZCKVDEDPEOXGNB-QGZVFWFLSA-N 0 1 280.375 3.541 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1[nH]nc2ccccc21 ZINC000685469965 1119612388 /nfs/dbraw/zinc/61/23/88/1119612388.db2.gz ZCKVDEDPEOXGNB-QGZVFWFLSA-N 0 1 280.375 3.541 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@@H](C3CC3)C2)s1 ZINC000685475945 1119613431 /nfs/dbraw/zinc/61/34/31/1119613431.db2.gz DBXBNFBVBWDDPJ-CYBMUJFWSA-N 0 1 264.438 3.889 20 0 CHADMN COCC(C)(C)CN1CCCn2c(cc3ccccc32)C1 ZINC000685473636 1119613520 /nfs/dbraw/zinc/61/35/20/1119613520.db2.gz ZAGCJESKUUJTHU-UHFFFAOYSA-N 0 1 286.419 3.520 20 0 CHADMN FC(F)C1(NC[C@H]2CCOc3ccccc32)CCCC1 ZINC000685477036 1119614047 /nfs/dbraw/zinc/61/40/47/1119614047.db2.gz SYKZVDXDQWPRSG-GFCCVEGCSA-N 0 1 281.346 3.720 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2CCCn3nccc32)cc1F ZINC000657905728 1119622859 /nfs/dbraw/zinc/62/28/59/1119622859.db2.gz UENORHJXXXLGRD-WFASDCNBSA-N 0 1 273.355 3.516 20 0 CHADMN CC1CCN(Cc2nc(-c3coc4ccccc34)no2)CC1 ZINC000445579969 1119627044 /nfs/dbraw/zinc/62/70/44/1119627044.db2.gz RSYHOLKJEKIWKB-UHFFFAOYSA-N 0 1 297.358 3.715 20 0 CHADMN CC(C)[C@H](N[C@H]1CCn2ccnc21)c1ccc(Cl)cc1 ZINC000294282171 1119627995 /nfs/dbraw/zinc/62/79/95/1119627995.db2.gz YQFHDPDTZRVFHR-GJZGRUSLSA-N 0 1 289.810 3.968 20 0 CHADMN CC(C)[C@@H](N[C@H]1CCn2ccnc21)c1ccc(Cl)cc1 ZINC000294284293 1119628554 /nfs/dbraw/zinc/62/85/54/1119628554.db2.gz YQFHDPDTZRVFHR-LSDHHAIUSA-N 0 1 289.810 3.968 20 0 CHADMN Cc1cc(F)ccc1CN1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000685587453 1119634922 /nfs/dbraw/zinc/63/49/22/1119634922.db2.gz BOOXNXXLLZBVAJ-HZPDHXFCSA-N 0 1 277.383 3.524 20 0 CHADMN Brc1ccc(CN2CC[C@@H]3CCC[C@@H]32)s1 ZINC000306449270 1119635085 /nfs/dbraw/zinc/63/50/85/1119635085.db2.gz AIHFAVSSAJOVIZ-ONGXEEELSA-N 0 1 286.238 3.885 20 0 CHADMN CC[C@@H](c1cccc(OC)c1)N(C)Cc1oc(C)nc1C ZINC000685585293 1119635181 /nfs/dbraw/zinc/63/51/81/1119635181.db2.gz KDLPQJCDJXLLNZ-INIZCTEOSA-N 0 1 288.391 3.883 20 0 CHADMN COc1ccc2c(c1)C1(CC1)CN([C@@H](C)c1ccncc1)C2 ZINC000685605906 1119637650 /nfs/dbraw/zinc/63/76/50/1119637650.db2.gz QPSKUQBFFLGVNS-AWEZNQCLSA-N 0 1 294.398 3.699 20 0 CHADMN CSc1ccc(CN[C@@H](C)c2c(C)noc2C)s1 ZINC000685616095 1119638312 /nfs/dbraw/zinc/63/83/12/1119638312.db2.gz CZEIKWLFCYNYRC-QMMMGPOBSA-N 0 1 282.434 3.926 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](Cc1ccccc1)c1cccs1 ZINC000685616458 1119638689 /nfs/dbraw/zinc/63/86/89/1119638689.db2.gz XNANHAGFUNYHMO-HNNXBMFYSA-N 0 1 297.427 3.853 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CC[C@@H](C(F)F)C1 ZINC000677735353 1119641249 /nfs/dbraw/zinc/64/12/49/1119641249.db2.gz ZANZFANMOQECPG-RKDXNWHRSA-N 0 1 261.262 3.613 20 0 CHADMN COc1cc(CN[C@H](C)c2cccc(Cl)c2)sn1 ZINC000399203299 1119643975 /nfs/dbraw/zinc/64/39/75/1119643975.db2.gz MFKUOWNVCAUVMT-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN COc1cc(CN[C@H](C)c2ccc(SC)cc2)sn1 ZINC000399131635 1119644339 /nfs/dbraw/zinc/64/43/39/1119644339.db2.gz UESLJAXGMJDVFK-SNVBAGLBSA-N 0 1 294.445 3.724 20 0 CHADMN Cc1cncc(CN[C@H](C)c2ccc(C(F)F)nc2)c1 ZINC000657938049 1119647228 /nfs/dbraw/zinc/64/72/28/1119647228.db2.gz WQNWOMWMKBIFSW-LLVKDONJSA-N 0 1 277.318 3.573 20 0 CHADMN CCn1c2ccccc2nc1CN(C)CCC(C)C ZINC000080982481 1119647237 /nfs/dbraw/zinc/64/72/37/1119647237.db2.gz HTAMILQBNQMPFA-UHFFFAOYSA-N 0 1 259.397 3.534 20 0 CHADMN CC[C@H](NCc1ccc(OC)o1)c1ccc(OC)cc1 ZINC000892415121 1119654685 /nfs/dbraw/zinc/65/46/85/1119654685.db2.gz AWDNFBWANFCMHD-HNNXBMFYSA-N 0 1 275.348 3.538 20 0 CHADMN CC(=O)Nc1cccc(CN[C@H](C)c2ccccc2F)c1 ZINC000101543358 1119656349 /nfs/dbraw/zinc/65/63/49/1119656349.db2.gz TWMIDISCOPMFAO-GFCCVEGCSA-N 0 1 286.350 3.635 20 0 CHADMN COc1cc(F)cc(CNCc2ccc(Cl)s2)c1 ZINC000093970738 1119662641 /nfs/dbraw/zinc/66/26/41/1119662641.db2.gz PLUUMNONWNGPQJ-UHFFFAOYSA-N 0 1 285.771 3.839 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@@H]1CCCn2nccc21 ZINC000658002621 1119664701 /nfs/dbraw/zinc/66/47/01/1119664701.db2.gz WPRUIGZLMVFPKP-GXTWGEPZSA-N 0 1 287.432 3.791 20 0 CHADMN C[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1cc2ccncc2s1 ZINC000658027294 1119666141 /nfs/dbraw/zinc/66/61/41/1119666141.db2.gz BPEBARMQNDLCGU-GVXVVHGQSA-N 0 1 298.415 3.849 20 0 CHADMN CCCCc1nc2ccc(NC(=O)[C@H]3CC34CC4)cc2[nH]1 ZINC000421439959 1119667771 /nfs/dbraw/zinc/66/77/71/1119667771.db2.gz BIQOLCCNNZQLPI-GFCCVEGCSA-N 0 1 283.375 3.644 20 0 CHADMN CC[C@H](COCC1CC1)N[C@@H](C)c1nc(C)sc1C ZINC000658092158 1119681091 /nfs/dbraw/zinc/68/10/91/1119681091.db2.gz XVEKBZKZOCAKIL-IINYFYTJSA-N 0 1 282.453 3.616 20 0 CHADMN C[C@H](NCc1cccnc1N1CCCC1)c1ccsc1 ZINC000658099256 1119682694 /nfs/dbraw/zinc/68/26/94/1119682694.db2.gz BGDDUEBBPQLCAK-ZDUSSCGKSA-N 0 1 287.432 3.594 20 0 CHADMN C[C@H](N[C@@H](C)C1(CO)CC1)c1cc(Cl)sc1Cl ZINC000658159848 1119693013 /nfs/dbraw/zinc/69/30/13/1119693013.db2.gz LDTQWUFCHJRLFH-YUMQZZPRSA-N 0 1 294.247 3.867 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@@H](c1ccccc1F)C(C)C ZINC000658165434 1119695179 /nfs/dbraw/zinc/69/51/79/1119695179.db2.gz DXOJUMYBWWYHQK-YVEFUNNKSA-N 0 1 289.398 3.916 20 0 CHADMN C[C@H](NCCO[C@@H]1CC1(F)F)c1ccc(F)cc1Cl ZINC000658168567 1119696140 /nfs/dbraw/zinc/69/61/40/1119696140.db2.gz YXPSPQZNXGAHCL-QPUJVOFHSA-N 0 1 293.716 3.554 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@]2(C)CC2(F)F)cs1 ZINC000658218259 1119703229 /nfs/dbraw/zinc/70/32/29/1119703229.db2.gz IVUZBFIGKOFOFB-SKDRFNHKSA-N 0 1 274.380 3.962 20 0 CHADMN C[C@H](N[C@H]1CCc2ccc(O)cc21)c1ccsc1 ZINC000658238555 1119710095 /nfs/dbraw/zinc/71/00/95/1119710095.db2.gz KATUFOCTNLLZLF-BONVTDFDSA-N 0 1 259.374 3.792 20 0 CHADMN CC[C@H](NCc1cc(C2CC2)no1)c1ccccc1 ZINC000660177129 1128863936 /nfs/dbraw/zinc/86/39/36/1128863936.db2.gz FLWIYSGXICHIAB-HNNXBMFYSA-N 0 1 256.349 3.793 20 0 CHADMN CCn1cc([C@@H](C)NC2(c3cccc(OC)c3)CCC2)cn1 ZINC000658323860 1119723813 /nfs/dbraw/zinc/72/38/13/1119723813.db2.gz RUTFXQXQDPNFQN-CQSZACIVSA-N 0 1 299.418 3.642 20 0 CHADMN C[C@@H](NCc1cc(F)ccc1OC(F)F)c1ccncc1 ZINC000658326523 1119724918 /nfs/dbraw/zinc/72/49/18/1119724918.db2.gz CYVHCSCRPRKAMB-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN c1csc(CC2CN(CC3=Cc4ccccc4OC3)C2)c1 ZINC000628478469 1128864747 /nfs/dbraw/zinc/86/47/47/1128864747.db2.gz DEGARHCOMAWTDR-UHFFFAOYSA-N 0 1 297.423 3.698 20 0 CHADMN CC1(C)OCC[C@H]1CN[C@H](CCc1ccccc1)C(F)F ZINC000658333495 1119725476 /nfs/dbraw/zinc/72/54/76/1119725476.db2.gz YACXTNIOOQBQQX-LSDHHAIUSA-N 0 1 297.389 3.658 20 0 CHADMN Cc1cc(C)c([C@H](C)N[C@@H](C)c2nccn2C)cc1C ZINC000658335397 1119726302 /nfs/dbraw/zinc/72/63/02/1119726302.db2.gz VWTQTAKXYSMUMH-GJZGRUSLSA-N 0 1 271.408 3.757 20 0 CHADMN C[C@H](CCC(F)(F)F)NCC(F)(F)C(C)(C)C ZINC000658337157 1119726352 /nfs/dbraw/zinc/72/63/52/1119726352.db2.gz PKCUSNLWYPGIEO-MRVPVSSYSA-N 0 1 261.278 3.988 20 0 CHADMN C[C@@H](N[C@@H](C)c1nccn1C)c1cc2c(s1)CCCC2 ZINC000658335732 1119726376 /nfs/dbraw/zinc/72/63/76/1119726376.db2.gz FUHDNKYKZOFYHB-NEPJUHHUSA-N 0 1 289.448 3.772 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCCc3c(C)cccc32)nn1C ZINC000658340009 1119728184 /nfs/dbraw/zinc/72/81/84/1119728184.db2.gz WARZDJYIHUQHAU-YOEHRIQHSA-N 0 1 283.419 3.765 20 0 CHADMN COc1ccsc1[C@H](C)N[C@H](c1ccccc1)[C@@H](C)O ZINC000658358998 1119730725 /nfs/dbraw/zinc/73/07/25/1119730725.db2.gz CKPOTKFGYXLLKJ-ZOWXZIJZSA-N 0 1 291.416 3.529 20 0 CHADMN COc1cc2[nH]c(-c3ccc(O)cc3Cl)nc2cc1C ZINC000587053291 1119754756 /nfs/dbraw/zinc/75/47/56/1119754756.db2.gz BOUKSCMYHWMUMY-UHFFFAOYSA-N 0 1 288.734 3.906 20 0 CHADMN Cc1cc(CNCc2cccc(C(F)(F)F)c2)sn1 ZINC000404491031 1119755528 /nfs/dbraw/zinc/75/55/28/1119755528.db2.gz IXXCDCHPYUIGAW-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CCC[C@@H](NCc1nccn1CC)c1ccccc1 ZINC000051922528 1119763328 /nfs/dbraw/zinc/76/33/28/1119763328.db2.gz FJYBVLQUJYBRJX-OAHLLOKOSA-N 0 1 257.381 3.534 20 0 CHADMN Cc1cccc(CCN2CC[C@](F)(c3ccccc3)C2)n1 ZINC000584466516 1119765118 /nfs/dbraw/zinc/76/51/18/1119765118.db2.gz AGPCJNZOQBLIQS-GOSISDBHSA-N 0 1 284.378 3.503 20 0 CHADMN COc1nccc(CN[C@H](c2ccccc2)C(C)C)c1F ZINC000892481725 1119769179 /nfs/dbraw/zinc/76/91/79/1119769179.db2.gz OOWCEGXTLIQPDX-INIZCTEOSA-N 0 1 288.366 3.716 20 0 CHADMN O=C(Nc1cccc2c1CCCC2)c1c(O)cccc1F ZINC000236608769 1119789685 /nfs/dbraw/zinc/78/96/85/1119789685.db2.gz BBOOWUXYVQQIPY-UHFFFAOYSA-N 0 1 285.318 3.662 20 0 CHADMN Fc1cccc(C2CCN(Cc3cccnc3)CC2)c1F ZINC000570139205 1119802677 /nfs/dbraw/zinc/80/26/77/1119802677.db2.gz PNRISOICOUPFHG-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1cc(CNc2ccc3c(c2)nc2n3CCCCC2)on1 ZINC000631157287 1119804304 /nfs/dbraw/zinc/80/43/04/1119804304.db2.gz YQXRFQSADKPEMI-UHFFFAOYSA-N 0 1 296.374 3.671 20 0 CHADMN CCC[C@@H](NCCSC)c1ncccc1Cl ZINC000924553506 1119814206 /nfs/dbraw/zinc/81/42/06/1119814206.db2.gz UNODYYVECNIBBK-LLVKDONJSA-N 0 1 258.818 3.529 20 0 CHADMN C[C@@H]1CCC[C@@H](NCc2csc(C(F)(F)F)n2)C1 ZINC000892510710 1119817427 /nfs/dbraw/zinc/81/74/27/1119817427.db2.gz RUYXWHMQWJUBKF-RKDXNWHRSA-N 0 1 278.343 3.830 20 0 CHADMN CCO[C@H]1C[C@H](N[C@@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000926693137 1119818239 /nfs/dbraw/zinc/81/82/39/1119818239.db2.gz JKQWMJLIGCHGOE-LNLFQRSKSA-N 0 1 296.414 3.637 20 0 CHADMN C[C@@H](NCc1cccs1)c1cnn(C2CCC2)c1 ZINC000924556853 1119824264 /nfs/dbraw/zinc/82/42/64/1119824264.db2.gz HXLXMCQRXOYEGJ-LLVKDONJSA-N 0 1 261.394 3.520 20 0 CHADMN O=C(NOC1CCCCC1)[C@@H](c1ccccc1)C1CC1 ZINC000779322771 1128871393 /nfs/dbraw/zinc/87/13/93/1128871393.db2.gz CNCMRELLMMRCQI-INIZCTEOSA-N 0 1 273.376 3.561 20 0 CHADMN Cc1ccccc1CN(C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000016374505 1119850584 /nfs/dbraw/zinc/85/05/84/1119850584.db2.gz UGCHYYUWXCHHET-INIZCTEOSA-N 0 1 296.414 3.762 20 0 CHADMN COc1ccc([C@@H]2CCCCCN2Cc2n[nH]cc2C)cc1 ZINC000685833375 1119853457 /nfs/dbraw/zinc/85/34/57/1119853457.db2.gz GDCGHQMYFKMFSI-SFHVURJKSA-N 0 1 299.418 3.844 20 0 CHADMN Cc1cn[nH]c1CN1CC2(CCCC2)c2ccccc21 ZINC000685842989 1119862866 /nfs/dbraw/zinc/86/28/66/1119862866.db2.gz CQAJMYHPOONTPF-UHFFFAOYSA-N 0 1 267.376 3.550 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cc2n(n1)CCC2)c1ccc(C)cc1 ZINC000414050308 1119867296 /nfs/dbraw/zinc/86/72/96/1119867296.db2.gz HJAKRWCUDGIREE-WMLDXEAASA-N 0 1 283.419 3.940 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc3cnccc3c2)[C@@H]1[C@@H]1CCCO1 ZINC000685849544 1119868935 /nfs/dbraw/zinc/86/89/35/1119868935.db2.gz MBVVMRXBOJWRON-ZWKOTPCHSA-N 0 1 296.414 3.624 20 0 CHADMN CC1(C)C[N@@H+](Cc2nccc3ccccc32)[C@@H]1[C@H]1CCCO1 ZINC000685849608 1119869300 /nfs/dbraw/zinc/86/93/00/1119869300.db2.gz QOKFHBWDTISHAQ-QZTJIDSGSA-N 0 1 296.414 3.624 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)C1CC1)c1cc2n(n1)CCC2 ZINC000414055788 1119871634 /nfs/dbraw/zinc/87/16/34/1119871634.db2.gz CZLSMOYQEAOKAU-SCLBCKFNSA-N 0 1 281.403 3.631 20 0 CHADMN Cc1nc2ccccc2nc1CNCc1ccc(Cl)cc1 ZINC000589031890 1119872161 /nfs/dbraw/zinc/87/21/61/1119872161.db2.gz LYZWSQUFRDLKOL-UHFFFAOYSA-N 0 1 297.789 3.881 20 0 CHADMN FC(F)(F)c1sccc1CN1CC[C@H]2C[C@H]2C1 ZINC000628349292 1119873307 /nfs/dbraw/zinc/87/33/07/1119873307.db2.gz FOPAZIOEAMTCAN-WPRPVWTQSA-N 0 1 261.312 3.609 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1ccn(C)n1)c1ccccc1 ZINC000414070753 1119879364 /nfs/dbraw/zinc/87/93/64/1119879364.db2.gz SKNDUIYNRUQBKH-XJKSGUPXSA-N 0 1 257.381 3.612 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1ccn(C)n1 ZINC000414077884 1119884767 /nfs/dbraw/zinc/88/47/67/1119884767.db2.gz ZQIMDLYJZWEVBW-KBPBESRZSA-N 0 1 283.419 3.711 20 0 CHADMN CCCCCc1cc(C(=O)N2[C@H](C)CC[C@H]2CC)n[nH]1 ZINC000613234568 1119889816 /nfs/dbraw/zinc/88/98/16/1119889816.db2.gz CSBDAXDAUDHJKI-TZMCWYRMSA-N 0 1 277.412 3.546 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C2CCC3(CC3)CC2)c1 ZINC000613283598 1119896760 /nfs/dbraw/zinc/89/67/60/1119896760.db2.gz AGMOQBFLCFSBQG-UHFFFAOYSA-N 0 1 287.359 3.504 20 0 CHADMN COc1cc2c(cc1-c1nc3ccc(F)cc3[nH]1)O[C@@H](C)C2 ZINC000613294236 1119899694 /nfs/dbraw/zinc/89/96/94/1119899694.db2.gz LOFVTKKQUVEXPZ-VIFPVBQESA-N 0 1 298.317 3.701 20 0 CHADMN CC[C@H](C)c1ccc([C@H](NC(=O)CN(C)C)C(C)C)cc1 ZINC000613323267 1119902952 /nfs/dbraw/zinc/90/29/52/1119902952.db2.gz XIOMSSMVYAKXQM-KBXCAEBGSA-N 0 1 290.451 3.575 20 0 CHADMN C[C@H](c1ccccc1F)N(C)CCOc1ccccc1 ZINC000613359077 1119908963 /nfs/dbraw/zinc/90/89/63/1119908963.db2.gz SSALZJAXRBFABZ-CQSZACIVSA-N 0 1 273.351 3.898 20 0 CHADMN Cc1nc([C@H](C)N[C@H]2CCC(F)(F)C2)c(C)s1 ZINC000310358933 1119912013 /nfs/dbraw/zinc/91/20/13/1119912013.db2.gz SUEFWXKKLTZUHT-XVKPBYJWSA-N 0 1 260.353 3.598 20 0 CHADMN CCc1nc(C)c(CN[C@H](C)c2ccc(OC)cc2C)o1 ZINC000414149568 1119918340 /nfs/dbraw/zinc/91/83/40/1119918340.db2.gz UWFZHBNNPYXWFH-GFCCVEGCSA-N 0 1 288.391 3.713 20 0 CHADMN Cc1cc(C)c([C@@H](C)N[C@@H](C)c2ccn(C)n2)cc1C ZINC000414175384 1119927072 /nfs/dbraw/zinc/92/70/72/1119927072.db2.gz IEPIVNYFSQUUDF-CABCVRRESA-N 0 1 271.408 3.757 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccn(C)n1)c1cccc(C)c1 ZINC000414183878 1119929734 /nfs/dbraw/zinc/92/97/34/1119929734.db2.gz NZDGRVHJZYKSRE-ZFWWWQNUSA-N 0 1 257.381 3.530 20 0 CHADMN CC(C)C[C@@H]1C[C@H]1N[C@@H](c1ccccc1)c1cncnc1 ZINC000414187929 1119930932 /nfs/dbraw/zinc/93/09/32/1119930932.db2.gz QVDDSQPBRJSJJP-NXHRZFHOSA-N 0 1 281.403 3.590 20 0 CHADMN CC1(C)CCC[C@@H](CC(=O)N[C@@H]2CCCc3cn[nH]c32)C1 ZINC000332762485 1119941758 /nfs/dbraw/zinc/94/17/58/1119941758.db2.gz RKKSKPHUMUHMLO-GXTWGEPZSA-N 0 1 289.423 3.510 20 0 CHADMN CCC1CCC(NCc2nccc(C(F)(F)F)n2)CC1 ZINC000414231401 1119949455 /nfs/dbraw/zinc/94/94/55/1119949455.db2.gz BXPONQVKYXMTGW-UHFFFAOYSA-N 0 1 287.329 3.554 20 0 CHADMN C[C@H](N[C@H]1CS[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000414233228 1119949918 /nfs/dbraw/zinc/94/99/18/1119949918.db2.gz RFTQSADROBVPTR-GJMOJQLCSA-N 0 1 296.383 3.707 20 0 CHADMN CCCC[C@H](CC)NCc1nccc(C(F)(F)F)n1 ZINC000414232215 1119950098 /nfs/dbraw/zinc/95/00/98/1119950098.db2.gz CPLAPYUFDDMWER-JTQLQIEISA-N 0 1 275.318 3.554 20 0 CHADMN CCc1ncc(CN[C@H](C)c2ccc(Cl)cc2)cn1 ZINC000414267560 1119960639 /nfs/dbraw/zinc/96/06/39/1119960639.db2.gz MVNBTMGNUXPTQY-LLVKDONJSA-N 0 1 275.783 3.543 20 0 CHADMN Cc1ccc(CN[C@H](c2ccccc2)C(C)(C)C)nn1 ZINC000414269116 1119961953 /nfs/dbraw/zinc/96/19/53/1119961953.db2.gz KHRSHYOJFUPZEV-MRXNPFEDSA-N 0 1 269.392 3.662 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@@H]1CCCC[C@H]1F ZINC000414281863 1119965199 /nfs/dbraw/zinc/96/51/99/1119965199.db2.gz GTEILZQOKRCKRU-MRVWCRGKSA-N 0 1 251.345 3.627 20 0 CHADMN COC1([C@H](C)N[C@@H](C)c2csc(C(C)C)n2)CCC1 ZINC000414292211 1119970576 /nfs/dbraw/zinc/97/05/76/1119970576.db2.gz AKNVTEQYFRGVMR-RYUDHWBXSA-N 0 1 282.453 3.875 20 0 CHADMN CC[C@H](N[C@@H](C)c1csnn1)C1CCCCC1 ZINC000414301346 1119972557 /nfs/dbraw/zinc/97/25/57/1119972557.db2.gz LSSKUVFGAQZZJC-JQWIXIFHSA-N 0 1 253.415 3.548 20 0 CHADMN Cc1occc1CN[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000414303947 1119973153 /nfs/dbraw/zinc/97/31/53/1119973153.db2.gz OFWYGRHBLNAUMN-IRXDYDNUSA-N 0 1 289.350 3.737 20 0 CHADMN CCn1ccnc1NCc1ccc2c(c1)CCC(C)(C)O2 ZINC000414308382 1119976320 /nfs/dbraw/zinc/97/63/20/1119976320.db2.gz WJLLWLSJHFWDNK-UHFFFAOYSA-N 0 1 285.391 3.619 20 0 CHADMN Fc1cncc([C@@H](N[C@@H]2CCCC[C@H]2F)C2CC2)c1 ZINC000414314715 1119979231 /nfs/dbraw/zinc/97/92/31/1119979231.db2.gz QNZRJAFFWKJVOR-KFWWJZLASA-N 0 1 266.335 3.542 20 0 CHADMN Cc1occc1CNCc1ccc(OC2CCCC2)nc1 ZINC000414318363 1119981295 /nfs/dbraw/zinc/98/12/95/1119981295.db2.gz XLOMAOFEGFQTSC-UHFFFAOYSA-N 0 1 286.375 3.594 20 0 CHADMN C[C@@H](C[C@H]1CCOC1)Nc1ccnc2cc(F)ccc21 ZINC000685910098 1119982703 /nfs/dbraw/zinc/98/27/03/1119982703.db2.gz BZJLSUPOQRYQBN-NWDGAFQWSA-N 0 1 274.339 3.601 20 0 CHADMN c1ccc([C@H]2CC[C@@H](NCc3nnc(C4CC4)s3)C2)cc1 ZINC000414322574 1119982841 /nfs/dbraw/zinc/98/28/41/1119982841.db2.gz HDSWXACNOFWBIT-LSDHHAIUSA-N 0 1 299.443 3.841 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1cc(F)ccc1F ZINC000414341473 1119990178 /nfs/dbraw/zinc/99/01/78/1119990178.db2.gz OGKYJJGJGLOMPG-MRCXROJRSA-N 0 1 263.287 3.765 20 0 CHADMN CC(C)C[C@@H]1CCN([C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000472590734 1119990523 /nfs/dbraw/zinc/99/05/23/1119990523.db2.gz OBUYDNZKPAGEEQ-CVEARBPZSA-N 0 1 298.434 3.696 20 0 CHADMN CSc1ccc(CNc2ccnc(C)c2Cl)s1 ZINC000685915894 1119991040 /nfs/dbraw/zinc/99/10/40/1119991040.db2.gz UUPGJOHQAOPKQB-UHFFFAOYSA-N 0 1 284.837 3.861 20 0 CHADMN FC(F)c1cccc(CN2CCOCC3(CCC3)C2)c1 ZINC000376441043 1119991813 /nfs/dbraw/zinc/99/18/13/1119991813.db2.gz ILPUAEHLDCYFAQ-UHFFFAOYSA-N 0 1 281.346 3.627 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccns1)c1ccc(C(C)(C)O)cc1 ZINC000926775060 1119998681 /nfs/dbraw/zinc/99/86/81/1119998681.db2.gz VJLRFJJCFGTYAU-NEPJUHHUSA-N 0 1 290.432 3.782 20 0 CHADMN CCc1ncc(CN(C)[C@@H](C)c2ccc(C)cc2)cn1 ZINC000414372178 1120003653 /nfs/dbraw/zinc/00/36/53/1120003653.db2.gz OULATWOECNBDHX-AWEZNQCLSA-N 0 1 269.392 3.540 20 0 CHADMN CC[C@@H](C)N(C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000068449617 1120014000 /nfs/dbraw/zinc/01/40/00/1120014000.db2.gz MRMKZZGONACQDS-SECBINFHSA-N 0 1 289.206 3.662 20 0 CHADMN CC(C)[C@@H]1C[C@H](N[C@@H](C)c2ncc[nH]2)c2ccccc21 ZINC000353590436 1128884679 /nfs/dbraw/zinc/88/46/79/1128884679.db2.gz UEWTZSIRCCQMEZ-RCBQFDQVSA-N 0 1 269.392 3.945 20 0 CHADMN Cc1scc(CNCc2cn(C)nc2C(C)(C)C)c1C ZINC000400000793 1120037407 /nfs/dbraw/zinc/03/74/07/1120037407.db2.gz RGNJXWPKJGYTKS-UHFFFAOYSA-N 0 1 291.464 3.686 20 0 CHADMN COc1ccc(CN2CCSCC[C@H]2C)c(Cl)c1 ZINC000361645262 1120048346 /nfs/dbraw/zinc/04/83/46/1120048346.db2.gz CTUAEQXKTIARRZ-LLVKDONJSA-N 0 1 285.840 3.676 20 0 CHADMN C[C@H](NCc1cccc(CO)c1)c1ccc(F)cc1Cl ZINC000177840177 1120051781 /nfs/dbraw/zinc/05/17/81/1120051781.db2.gz JCDCBKKZPJLZBE-NSHDSACASA-N 0 1 293.769 3.822 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc(C(F)(F)F)cc3)c2c1 ZINC000094660731 1120053822 /nfs/dbraw/zinc/05/38/22/1120053822.db2.gz BAMRPSXMMBUUCV-UHFFFAOYSA-N 0 1 291.276 3.935 20 0 CHADMN CC[C@H](C[C@@](C)(O)CC)N[C@@H](CF)c1ccc(F)cc1 ZINC000926809692 1120056855 /nfs/dbraw/zinc/05/68/55/1120056855.db2.gz OIJRMFWDASYYEW-PMPSAXMXSA-N 0 1 285.378 3.756 20 0 CHADMN CC[C@H](CCO)NCc1c(Cl)ccc(Cl)c1Cl ZINC000134984098 1120062352 /nfs/dbraw/zinc/06/23/52/1120062352.db2.gz JYUUYPNRLAMURQ-MRVPVSSYSA-N 0 1 296.625 3.897 20 0 CHADMN Cc1ccc([C@@H](NCc2cc[nH]n2)C2CCCC2)cc1 ZINC000187981316 1120062456 /nfs/dbraw/zinc/06/24/56/1120062456.db2.gz CTINWCLCZUTKRU-KRWDZBQOSA-N 0 1 269.392 3.739 20 0 CHADMN CC(C)(C)[C@H](C(=O)[O-])c1ccc(Nc2ccc[nH+]c2N)cc1 ZINC001212405696 1120067876 /nfs/dbraw/zinc/06/78/76/1120067876.db2.gz JDQUQWGOCBGOSG-AWEZNQCLSA-N 0 1 299.374 3.622 20 0 CHADMN C[C@@H](NCc1ccsc1)c1ccnc(Cl)c1 ZINC000166605431 1120070743 /nfs/dbraw/zinc/07/07/43/1120070743.db2.gz BWURGLZYPNYPGM-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN Cc1cc(F)ncc1CN[C@@H]1CSCc2ccccc21 ZINC000892685004 1120074552 /nfs/dbraw/zinc/07/45/52/1120074552.db2.gz WCVDVSACZPPNLQ-OAHLLOKOSA-N 0 1 288.391 3.607 20 0 CHADMN C[C@H](NCc1cccc2c1OCC2)c1ccsc1 ZINC000693093532 1120076368 /nfs/dbraw/zinc/07/63/68/1120076368.db2.gz VKVJJRQQNUXLLA-NSHDSACASA-N 0 1 259.374 3.534 20 0 CHADMN c1ccc(CN(c2ccnc3ccccc32)C2CC2)nc1 ZINC000178768222 1120082287 /nfs/dbraw/zinc/08/22/87/1120082287.db2.gz LVVOFUSXHDLWAQ-UHFFFAOYSA-N 0 1 275.355 3.799 20 0 CHADMN CCCN(Cc1ccncc1C)Cc1ccccc1F ZINC000648359318 1120082393 /nfs/dbraw/zinc/08/23/93/1120082393.db2.gz YGBRWZHWGUFDJS-UHFFFAOYSA-N 0 1 272.367 3.941 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCc3ccccc3NC2=O)oc1C ZINC000655792092 1120091857 /nfs/dbraw/zinc/09/18/57/1120091857.db2.gz VXHGFYNCNHMJAB-WBMJQRKESA-N 0 1 298.386 3.501 20 0 CHADMN COc1ccc2oc([C@H](C)NCc3ccccn3)c(C)c2c1 ZINC000106472533 1120100319 /nfs/dbraw/zinc/10/03/19/1120100319.db2.gz OIPXFKLDORGALZ-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN C[C@@H](NCCOCC(F)(F)F)c1c(F)cccc1Cl ZINC000181731248 1120106282 /nfs/dbraw/zinc/10/62/82/1120106282.db2.gz RXHIFNMCKYSLTD-MRVPVSSYSA-N 0 1 299.695 3.709 20 0 CHADMN CC[C@H](C)O[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001204629363 1120109191 /nfs/dbraw/zinc/10/91/91/1120109191.db2.gz KETLSIDHURCPEQ-ZFWWWQNUSA-N 0 1 265.372 3.605 20 0 CHADMN N#C[C@H](C(=O)C[C@H]1C=CCCC1)c1cnc2ccccc2n1 ZINC000190911616 1128891227 /nfs/dbraw/zinc/89/12/27/1128891227.db2.gz YYBRFEZPISUGQQ-KBPBESRZSA-N 0 1 291.354 3.552 20 0 CHADMN c1c(CN2CCC[C@@H]2c2ccccc2)onc1C1CC1 ZINC000659812205 1120116144 /nfs/dbraw/zinc/11/61/44/1120116144.db2.gz PQKFPYFXGGBHCM-QGZVFWFLSA-N 0 1 268.360 3.889 20 0 CHADMN c1csc([C@H]2CCCN2Cc2cc(C3CC3)no2)c1 ZINC000659818323 1120117285 /nfs/dbraw/zinc/11/72/85/1120117285.db2.gz WGNVPYIFQAOGHN-CQSZACIVSA-N 0 1 274.389 3.951 20 0 CHADMN CCCCc1nc2ccc(NC(=O)C34CC(C3)C4)cc2[nH]1 ZINC000624735623 1120119611 /nfs/dbraw/zinc/11/96/11/1120119611.db2.gz WXNUVEJKOZKTCE-UHFFFAOYSA-N 0 1 283.375 3.644 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)N(Cc2cncc(F)c2)C1 ZINC000353240428 1120121782 /nfs/dbraw/zinc/12/17/82/1120121782.db2.gz XXSGGBYOLLORNR-SUMWQHHRSA-N 0 1 270.351 3.804 20 0 CHADMN Cc1ccsc1C[N@H+](C)CCOCCC(C)C ZINC000056267479 1120123903 /nfs/dbraw/zinc/12/39/03/1120123903.db2.gz WQMULBGNVYMTHC-UHFFFAOYSA-N 0 1 255.427 3.551 20 0 CHADMN COCc1ccccc1CN[C@H](C)c1ccnn1C1CCC1 ZINC000924601764 1120128069 /nfs/dbraw/zinc/12/80/69/1120128069.db2.gz TZCWNYVWVMCDTD-CQSZACIVSA-N 0 1 299.418 3.605 20 0 CHADMN CC(C)C[C@H]1CCCCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903696603 1120133232 /nfs/dbraw/zinc/13/32/32/1120133232.db2.gz YGCBJHGPNHZFMB-OAHLLOKOSA-N 0 1 281.440 3.922 20 0 CHADMN Cc1[nH]ncc1CNc1ccc(Cl)c(Cl)c1 ZINC000036901483 1120140992 /nfs/dbraw/zinc/14/09/92/1120140992.db2.gz OQPPKYXZCVORNI-UHFFFAOYSA-N 0 1 256.136 3.637 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2ccc(Br)o2)C1 ZINC000378909880 1120141059 /nfs/dbraw/zinc/14/10/59/1120141059.db2.gz ITPKKQOCKMYYOE-JTQLQIEISA-N 0 1 286.213 3.910 20 0 CHADMN CCOC(=O)CCN[C@H](C)c1cccc(Cl)c1Cl ZINC000183761177 1120141390 /nfs/dbraw/zinc/14/13/90/1120141390.db2.gz KUDNGMOCVUDKHG-SECBINFHSA-N 0 1 290.190 3.597 20 0 CHADMN CC(C)c1cccc(CNCc2ccncc2F)c1 ZINC000449255127 1128893183 /nfs/dbraw/zinc/89/31/83/1128893183.db2.gz AXMICNVVUJXRMC-UHFFFAOYSA-N 0 1 258.340 3.634 20 0 CHADMN Cn1ncc(CNC2(c3ccc(F)cc3)CCC2)c1C1CC1 ZINC000892786501 1120142868 /nfs/dbraw/zinc/14/28/68/1120142868.db2.gz RUBULJKEFZAKSL-UHFFFAOYSA-N 0 1 299.393 3.606 20 0 CHADMN C[C@@H](N[C@@H](C)CC(=O)OC(C)(C)C)c1c(F)cccc1F ZINC000542778672 1120146092 /nfs/dbraw/zinc/14/60/92/1120146092.db2.gz RCSMCDAMOCDVHA-WDEREUQCSA-N 0 1 299.361 3.736 20 0 CHADMN CCC(CC)c1cc(CNC[C@H](O)CC2CCCC2)on1 ZINC000564853483 1120151665 /nfs/dbraw/zinc/15/16/65/1120151665.db2.gz FSCXPFSWMPIYQQ-OAHLLOKOSA-N 0 1 294.439 3.609 20 0 CHADMN Cc1cc(CN(C)C[C@@H]2CCCCC2(C)C)no1 ZINC000659838802 1120153182 /nfs/dbraw/zinc/15/31/82/1120153182.db2.gz RVXBXNCGSHODBJ-ZDUSSCGKSA-N 0 1 250.386 3.631 20 0 CHADMN C[C@@H](c1noc(-c2cc3cccnc3[nH]2)n1)C(C)(C)C ZINC000643106784 1120153805 /nfs/dbraw/zinc/15/38/05/1120153805.db2.gz XNPZVUVNJDBXQZ-VIFPVBQESA-N 0 1 270.336 3.763 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc(C)cc(C)c2)o1 ZINC000892903570 1120157995 /nfs/dbraw/zinc/15/79/95/1120157995.db2.gz RXAWDRPFHSNRFT-ZDUSSCGKSA-N 0 1 259.349 3.756 20 0 CHADMN CCC[C@@H](NCc1cnc(F)cc1C)c1ccccn1 ZINC000892912897 1120160225 /nfs/dbraw/zinc/16/02/25/1120160225.db2.gz YRHIBQCOZCIONQ-CQSZACIVSA-N 0 1 273.355 3.555 20 0 CHADMN CCOc1ccc(CN[C@@H]2CCc3ccc(F)cc32)o1 ZINC000892920044 1120161710 /nfs/dbraw/zinc/16/17/10/1120161710.db2.gz GQYNJWQKYHAJKV-OAHLLOKOSA-N 0 1 275.323 3.595 20 0 CHADMN Cc1ccc(C)c(CNCc2ccc(C)c(C)n2)c1 ZINC000313984346 1120162984 /nfs/dbraw/zinc/16/29/84/1120162984.db2.gz WMGMMSYLIUKNRP-UHFFFAOYSA-N 0 1 254.377 3.605 20 0 CHADMN FC(F)(F)c1nc(CNC[C@@H]2Cc3ccccc32)cs1 ZINC000892929195 1120163118 /nfs/dbraw/zinc/16/31/18/1120163118.db2.gz MNXHXHGLASXKGF-JTQLQIEISA-N 0 1 298.333 3.591 20 0 CHADMN Cc1cccc(OCCN(C)Cc2ccc(Cl)nc2)c1 ZINC000073645866 1120163525 /nfs/dbraw/zinc/16/35/25/1120163525.db2.gz KTEBAUGCURTGSB-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN Cc1csc([C@H](C)N[C@H]2C[C@H](Oc3ccccc3)C2)n1 ZINC000624012613 1120167226 /nfs/dbraw/zinc/16/72/26/1120167226.db2.gz CKHYXLHUJAGHEE-YDHLFZDLSA-N 0 1 288.416 3.712 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cnc(Cl)s1 ZINC000783013883 1120167275 /nfs/dbraw/zinc/16/72/75/1120167275.db2.gz RICJMVZKLGIBTO-SECBINFHSA-N 0 1 281.812 3.605 20 0 CHADMN Cc1ccc2nc(S[C@@H](C)C3CCOCC3)[nH]c2c1 ZINC000629088262 1128895562 /nfs/dbraw/zinc/89/55/62/1128895562.db2.gz GJYXMDXUMIMKDI-NSHDSACASA-N 0 1 276.405 3.779 20 0 CHADMN CC(C)Cc1ccc(CN[C@@H](C)c2cccc(O)c2)cn1 ZINC000892941472 1120169496 /nfs/dbraw/zinc/16/94/96/1120169496.db2.gz AYFXXIIWUVTKSM-AWEZNQCLSA-N 0 1 284.403 3.837 20 0 CHADMN CCc1nc(CN[C@@H]2Cc3ccc(Cl)cc3C2)cs1 ZINC000328399928 1120175187 /nfs/dbraw/zinc/17/51/87/1120175187.db2.gz VXBSWIKAYYEUAA-CYBMUJFWSA-N 0 1 292.835 3.616 20 0 CHADMN C[C@H]1CCCC[C@@H]1CCNCc1nnc(C2CC2)s1 ZINC000892950813 1120178567 /nfs/dbraw/zinc/17/85/67/1120178567.db2.gz JLJWYQHXCSCOSH-NWDGAFQWSA-N 0 1 279.453 3.722 20 0 CHADMN CC(C)c1cc(C(=O)N2CCC[C@H](C(C)(C)C)CC2)n[nH]1 ZINC000303656282 1120178699 /nfs/dbraw/zinc/17/86/99/1120178699.db2.gz LTTPDCOHQZOTJZ-ZDUSSCGKSA-N 0 1 291.439 3.822 20 0 CHADMN C[C@H]1CCC[C@H](C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000314252994 1120179871 /nfs/dbraw/zinc/17/98/71/1120179871.db2.gz ZKKZBTTUJKNURI-KBPBESRZSA-N 0 1 287.403 3.569 20 0 CHADMN CCC(C)(C)c1ccc(C[N@H+](CC(=O)[O-])CC(C)C)cc1 ZINC000565105754 1120182010 /nfs/dbraw/zinc/18/20/10/1120182010.db2.gz NOWREEZFTBBBMP-UHFFFAOYSA-N 0 1 291.435 3.917 20 0 CHADMN Cc1cccnc1[C@H](NCc1cnc(F)cc1C)C(C)C ZINC000892964262 1120182732 /nfs/dbraw/zinc/18/27/32/1120182732.db2.gz NLPOOYGUXDEFEZ-MRXNPFEDSA-N 0 1 287.382 3.719 20 0 CHADMN CC[C@@](C)(NCc1nccn1C1CC1)c1ccccc1 ZINC000892973460 1120186611 /nfs/dbraw/zinc/18/66/11/1120186611.db2.gz RKHRHCSGRKXSFO-QGZVFWFLSA-N 0 1 269.392 3.633 20 0 CHADMN Cc1ccnc(N[C@H]2CCCc3cccnc32)c1C ZINC001168656846 1120190552 /nfs/dbraw/zinc/19/05/52/1120190552.db2.gz UYVWLSDHCAPMOG-AWEZNQCLSA-N 0 1 253.349 3.583 20 0 CHADMN Cc1ccc(C[C@H](C)NCc2nnc(C3CC3)s2)s1 ZINC000893004999 1120195509 /nfs/dbraw/zinc/19/55/09/1120195509.db2.gz OERWSXQBQDOWBZ-VIFPVBQESA-N 0 1 293.461 3.506 20 0 CHADMN CCCSC[C@@H](C)NCc1nc(C(F)(F)F)cs1 ZINC000893029792 1120203079 /nfs/dbraw/zinc/20/30/79/1120203079.db2.gz WEHNTHYOKKMQOP-MRVPVSSYSA-N 0 1 298.399 3.783 20 0 CHADMN C[C@H]1CCC[N@@H+](Cn2ccc(-c3ccc(F)cc3)n2)CC1 ZINC000728707988 1120203142 /nfs/dbraw/zinc/20/31/42/1120203142.db2.gz WKVVLHXPCUYLQP-AWEZNQCLSA-N 0 1 287.382 3.769 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CCC([C@@H](C)O)CC1 ZINC000304344494 1120205581 /nfs/dbraw/zinc/20/55/81/1120205581.db2.gz XPEGMCHEZNRIQX-BZNIZROVSA-N 0 1 283.362 3.509 20 0 CHADMN COC[C@H](NCc1cccc(Cl)c1)c1ccccc1 ZINC000113355520 1120207591 /nfs/dbraw/zinc/20/75/91/1120207591.db2.gz FKVBSIHFXDUZLV-INIZCTEOSA-N 0 1 275.779 3.817 20 0 CHADMN Cc1cccc([C@@H](C)CNCc2nnc(C3CC3)s2)c1 ZINC000893042894 1120207658 /nfs/dbraw/zinc/20/76/58/1120207658.db2.gz VSRBTIULPNKIGC-LBPRGKRZSA-N 0 1 287.432 3.617 20 0 CHADMN CCSCC[C@@H](C)NCc1csc(C(F)(F)F)n1 ZINC000893064302 1120212572 /nfs/dbraw/zinc/21/25/72/1120212572.db2.gz QBFNYDGYWJXTKG-MRVPVSSYSA-N 0 1 298.399 3.783 20 0 CHADMN C[C@@H](c1ccccc1Cl)N1CCC[C@H](n2cccn2)C1 ZINC000338724030 1120213520 /nfs/dbraw/zinc/21/35/20/1120213520.db2.gz GREKJWLOVAUTNX-KBPBESRZSA-N 0 1 289.810 3.935 20 0 CHADMN CSc1ccc(F)cc1CNCc1cnc(F)c(C)c1 ZINC000893087446 1120218034 /nfs/dbraw/zinc/21/80/34/1120218034.db2.gz WMTOGPZUCYXSQM-UHFFFAOYSA-N 0 1 294.370 3.680 20 0 CHADMN CC[C@@H](C)[C@H](CNCc1nc(C(C)(C)C)cs1)OC ZINC000394460669 1120219555 /nfs/dbraw/zinc/21/95/55/1120219555.db2.gz UTOJBISJSPYMMM-NEPJUHHUSA-N 0 1 284.469 3.591 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2)C(C)(C)C)nn1C ZINC000487383749 1120220645 /nfs/dbraw/zinc/22/06/45/1120220645.db2.gz ZUEVJERFAQPJDY-MRXNPFEDSA-N 0 1 271.408 3.606 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCC(C)C ZINC000728725514 1120229058 /nfs/dbraw/zinc/22/90/58/1120229058.db2.gz LTMXNIVYQHBUCJ-UHFFFAOYSA-N 0 1 272.348 3.588 20 0 CHADMN COc1cccc(CN(C)Cc2cc(C)ccc2OC)c1 ZINC000061759594 1120229253 /nfs/dbraw/zinc/22/92/53/1120229253.db2.gz YSSGFXKXVXUILF-UHFFFAOYSA-N 0 1 285.387 3.644 20 0 CHADMN Cc1ccccc1-c1noc(CN(C)C2CCCCC2)n1 ZINC000061757203 1120229839 /nfs/dbraw/zinc/22/98/39/1120229839.db2.gz SUMOQMMNZRZGND-UHFFFAOYSA-N 0 1 285.391 3.810 20 0 CHADMN COc1ccc(-c2ccc3nc(C)[nH]c3c2)c(F)c1 ZINC001240020502 1120231288 /nfs/dbraw/zinc/23/12/88/1120231288.db2.gz FFHWURNSQPMZJS-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CCC1CCCCCC1 ZINC000656191172 1120236710 /nfs/dbraw/zinc/23/67/10/1120236710.db2.gz OCZVQQGSIFFOSZ-HNNXBMFYSA-N 0 1 269.429 3.778 20 0 CHADMN CCn1cc([C@@H](C)N[C@@H](C)c2cc(F)c(F)c(F)c2)cn1 ZINC000271460587 1120253893 /nfs/dbraw/zinc/25/38/93/1120253893.db2.gz JXXZIBREJQDWHY-VHSXEESVSA-N 0 1 297.324 3.732 20 0 CHADMN Cc1cc(Cl)c(-c2nc([C@H](N)C(C)C)no2)cc1C ZINC000843149271 1120254007 /nfs/dbraw/zinc/25/40/07/1120254007.db2.gz LKLSTHWJGWLAMV-GFCCVEGCSA-N 0 1 279.771 3.663 20 0 CHADMN CCCC(=Cc1nc([C@@H](N)C(C)C)no1)CCC ZINC000843149270 1120254013 /nfs/dbraw/zinc/25/40/13/1120254013.db2.gz LINQRIZDXYYATA-ZDUSSCGKSA-N 0 1 251.374 3.709 20 0 CHADMN CC/C(=C\c1nc([C@@H](N)C(C)C)no1)c1ccc(C)cc1 ZINC000843151671 1120257004 /nfs/dbraw/zinc/25/70/04/1120257004.db2.gz GIPAZKHLEORQOA-ISBHARSQSA-N 0 1 285.391 3.984 20 0 CHADMN COc1ccccc1[C@@H](NCCC1CCC1)c1ccccn1 ZINC000925518400 1120258279 /nfs/dbraw/zinc/25/82/79/1120258279.db2.gz QMAGEOFJGSKHCN-LJQANCHMSA-N 0 1 296.414 3.959 20 0 CHADMN CCN(Cc1ccoc1)Cc1ccc(OC)c(Cl)c1 ZINC000677889030 1120258428 /nfs/dbraw/zinc/25/84/28/1120258428.db2.gz SLTQGNVEFYQLLT-UHFFFAOYSA-N 0 1 279.767 3.964 20 0 CHADMN CCCC[C@H]1CCC[C@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC000075708673 1120265436 /nfs/dbraw/zinc/26/54/36/1120265436.db2.gz VQIXQVIITYKEJC-DZGCQCFKSA-N 0 1 299.418 3.581 20 0 CHADMN COc1ccc2oc([C@H](C)NCc3c[nH]nc3C)c(C)c2c1 ZINC000106472675 1120267684 /nfs/dbraw/zinc/26/76/84/1120267684.db2.gz LESQLGLFPHRIEP-LBPRGKRZSA-N 0 1 299.374 3.632 20 0 CHADMN FC(F)(F)c1cc(Cl)cc(NCc2cnc[nH]2)c1 ZINC000169012639 1128903402 /nfs/dbraw/zinc/90/34/02/1128903402.db2.gz KZAMBRDQFZXYGP-UHFFFAOYSA-N 0 1 275.661 3.694 20 0 CHADMN CCC(=O)Nc1cc(N[C@@H](C)C[C@@H](C)CC)ccn1 ZINC001168694426 1120275570 /nfs/dbraw/zinc/27/55/70/1120275570.db2.gz QBMPKWRCXWMQTC-RYUDHWBXSA-N 0 1 263.385 3.667 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)C1(C(F)(F)F)CCCC1 ZINC000416144643 1120279780 /nfs/dbraw/zinc/27/97/80/1120279780.db2.gz NYBSMEKDYOOAHN-UHFFFAOYSA-N 0 1 297.280 3.624 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC(C)CC1 ZINC000008318298 1120280533 /nfs/dbraw/zinc/28/05/33/1120280533.db2.gz LRYBNNJHEKYMHG-OAHLLOKOSA-N 0 1 288.435 3.869 20 0 CHADMN CSc1cccc(CN(C)Cc2scnc2C)c1 ZINC000659913049 1120282631 /nfs/dbraw/zinc/28/26/31/1120282631.db2.gz RXPKAPPDAGCDNC-UHFFFAOYSA-N 0 1 278.446 3.805 20 0 CHADMN CC(C)C[C@@H](C)NCc1csc(C(F)(F)F)n1 ZINC000893182088 1120284463 /nfs/dbraw/zinc/28/44/63/1120284463.db2.gz JAUXOORJRLEWAM-MRVPVSSYSA-N 0 1 266.332 3.686 20 0 CHADMN [O-]c1cccc2c(NCC3(C(F)(F)F)CC3)cc[nH+]c12 ZINC000672329223 1120290387 /nfs/dbraw/zinc/29/03/87/1120290387.db2.gz NPHSIFSYYKZRRK-UHFFFAOYSA-N 0 1 282.265 3.695 20 0 CHADMN CC(C)[C@H]1CCCC[C@@H]1NCC(F)(F)C(F)F ZINC000227015966 1120292389 /nfs/dbraw/zinc/29/23/89/1120292389.db2.gz PVFWJIOTALHRMY-ZJUUUORDSA-N 0 1 255.299 3.691 20 0 CHADMN CC(C)(C)c1coc(CN[C@@H]2CCO[C@@H](C(C)(C)C)C2)n1 ZINC000921944991 1120297813 /nfs/dbraw/zinc/29/78/13/1120297813.db2.gz LUNFHHZWBSGAFD-TZMCWYRMSA-N 0 1 294.439 3.655 20 0 CHADMN Cc1cc(CN2CCCCC[C@@H]2c2ccco2)nc(C)n1 ZINC000659942018 1120300208 /nfs/dbraw/zinc/30/02/08/1120300208.db2.gz SBXPOYXFWBEPIZ-MRXNPFEDSA-N 0 1 285.391 3.804 20 0 CHADMN CN(C(=O)c1cccc2[nH]cnc21)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416282386 1120301819 /nfs/dbraw/zinc/30/18/19/1120301819.db2.gz CGPRWNYEQXUHMT-HIFRSBDPSA-N 0 1 299.418 3.850 20 0 CHADMN CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H](OC)C2CCC2)s1 ZINC000659949795 1120303954 /nfs/dbraw/zinc/30/39/54/1120303954.db2.gz JVHBVJVUDMUWQL-GXTWGEPZSA-N 0 1 296.480 3.822 20 0 CHADMN CC[C@@](C)(NC[C@H]1CC1(Cl)Cl)c1nccs1 ZINC000309468887 1120304258 /nfs/dbraw/zinc/30/42/58/1120304258.db2.gz QCGZCWPEHOBRRZ-PSASIEDQSA-N 0 1 279.236 3.552 20 0 CHADMN C[C@H](C(=O)Nc1cccc(Cl)c1O)c1ccccc1F ZINC000077011476 1120305572 /nfs/dbraw/zinc/30/55/72/1120305572.db2.gz SKGMQDGCXISTJA-VIFPVBQESA-N 0 1 293.725 3.927 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1ccnc2ccccc21 ZINC000077010650 1120305711 /nfs/dbraw/zinc/30/57/11/1120305711.db2.gz DAJXGXIGZSTEJV-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN CCCN[C@H](C)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000843177096 1120306886 /nfs/dbraw/zinc/30/68/86/1120306886.db2.gz XTLMYKSARPFCKE-SECBINFHSA-N 0 1 299.296 3.816 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000843177097 1120306999 /nfs/dbraw/zinc/30/69/99/1120306999.db2.gz XTLMYKSARPFCKE-VIFPVBQESA-N 0 1 299.296 3.816 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(F)cc2O)CC1 ZINC000228310520 1120312683 /nfs/dbraw/zinc/31/26/83/1120312683.db2.gz PRJVEBDTKMRJNR-GFCCVEGCSA-N 0 1 293.382 3.820 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2cc(C)nc(C)n2)o1 ZINC000659969823 1120316232 /nfs/dbraw/zinc/31/62/32/1120316232.db2.gz GULZOCAKNHEULT-SJKOYZFVSA-N 0 1 299.418 3.968 20 0 CHADMN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cccc2ccccc21 ZINC000389378599 1120316308 /nfs/dbraw/zinc/31/63/08/1120316308.db2.gz CJLVUQFAPQOIRC-NJAFHUGGSA-N 0 1 295.382 3.525 20 0 CHADMN CC[C@H](N[C@@H](C)c1cc(C)n(C)n1)c1ccccc1 ZINC000282322503 1120319754 /nfs/dbraw/zinc/31/97/54/1120319754.db2.gz UKBPXUKDXTWNKY-ZFWWWQNUSA-N 0 1 257.381 3.530 20 0 CHADMN CCC1CCC(N(C)Cc2nc(C)oc2C)CC1 ZINC000659983121 1120323569 /nfs/dbraw/zinc/32/35/69/1120323569.db2.gz FAPMDBLMVHRVGO-UHFFFAOYSA-N 0 1 250.386 3.692 20 0 CHADMN Clc1ccc(CCN(Cc2ccon2)CC2CC2)cc1 ZINC000077317003 1120325330 /nfs/dbraw/zinc/32/53/30/1120325330.db2.gz VARJQPGAQTUBLH-UHFFFAOYSA-N 0 1 290.794 3.783 20 0 CHADMN Cc1ccc(CN2CC(CC(F)(F)F)C2)cc1C ZINC000656685930 1120328100 /nfs/dbraw/zinc/32/81/00/1120328100.db2.gz BFWRGDSETFJNQK-UHFFFAOYSA-N 0 1 257.299 3.688 20 0 CHADMN Cc1cccnc1[C@H](N[C@H](C)c1ccncc1)C(C)C ZINC000172818170 1120328767 /nfs/dbraw/zinc/32/87/67/1120328767.db2.gz JRHURTZWBFPTII-GDBMZVCRSA-N 0 1 269.392 3.833 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCCC2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000629373350 1128908893 /nfs/dbraw/zinc/90/88/93/1128908893.db2.gz IDBVKBAPPQMCDW-BZUAXINKSA-N 0 1 279.424 3.532 20 0 CHADMN C[C@@H](N[C@@H]1CCCC1(F)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000672622399 1120334861 /nfs/dbraw/zinc/33/48/61/1120334861.db2.gz GUUDNKBALVWESG-UQOMUDLDSA-N 0 1 265.347 3.956 20 0 CHADMN FC1(F)CCC[C@@H]1N[C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000672621965 1120335833 /nfs/dbraw/zinc/33/58/33/1120335833.db2.gz PLKSTRCQMXGBMJ-YUELXQCFSA-N 0 1 280.362 3.885 20 0 CHADMN c1csc([C@@H]2CN(CCCC3CCC3)CCO2)c1 ZINC000660004683 1120336670 /nfs/dbraw/zinc/33/66/70/1120336670.db2.gz AKNGCVULMSPZFY-AWEZNQCLSA-N 0 1 265.422 3.702 20 0 CHADMN CC1(C)CCC(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)CC1 ZINC000629377296 1128909434 /nfs/dbraw/zinc/90/94/34/1128909434.db2.gz MKNHGPFKIOBQMC-PMPSAXMXSA-N 0 1 293.451 3.778 20 0 CHADMN Oc1ccc([C@H]2CCN(Cc3c(F)cccc3F)C2)cc1 ZINC000628480655 1120342675 /nfs/dbraw/zinc/34/26/75/1120342675.db2.gz VIESXMCPBGLKDR-ZDUSSCGKSA-N 0 1 289.325 3.660 20 0 CHADMN CC(C)N(C)Cc1c(Cl)cccc1N1CCCC1 ZINC000183468844 1120343255 /nfs/dbraw/zinc/34/32/55/1120343255.db2.gz CUYFXLXPTDPQTL-UHFFFAOYSA-N 0 1 266.816 3.780 20 0 CHADMN C[C@@H](NCc1c2c(nn1C)CCC2)c1cc2ccccc2o1 ZINC000922038967 1120345569 /nfs/dbraw/zinc/34/55/69/1120345569.db2.gz KLFOAIBVOCEHJX-GFCCVEGCSA-N 0 1 295.386 3.506 20 0 CHADMN C[C@H](O)C[C@H]1CCCCN1Cc1cccc(Cl)c1F ZINC000228437977 1120345937 /nfs/dbraw/zinc/34/59/37/1120345937.db2.gz JBNAPQHMOBUBEK-WCQYABFASA-N 0 1 285.790 3.605 20 0 CHADMN COc1cc(C)c(C)cc1CN1CC[C@H](C(F)(F)F)C1 ZINC001238766243 1131243710 /nfs/dbraw/zinc/24/37/10/1131243710.db2.gz IZBZHNMIHVHXSU-ZDUSSCGKSA-N 0 1 287.325 3.696 20 0 CHADMN C[C@H](NCc1cccc2c1OCC2)c1ccc(Cl)nc1 ZINC000922047858 1120347401 /nfs/dbraw/zinc/34/74/01/1120347401.db2.gz PAHAOHRATXRCCF-NSHDSACASA-N 0 1 288.778 3.521 20 0 CHADMN Cc1ccc(F)c(CN[C@H](C)c2cccc(O)c2)c1 ZINC000116916533 1120349486 /nfs/dbraw/zinc/34/94/86/1120349486.db2.gz COUUGHBZNXFZLX-GFCCVEGCSA-N 0 1 259.324 3.691 20 0 CHADMN CCCn1cc(CN[C@@H](C)c2ccc(Cl)cc2)cn1 ZINC000116912093 1120349745 /nfs/dbraw/zinc/34/97/45/1120349745.db2.gz ZRTYSYCTOSNGTO-LBPRGKRZSA-N 0 1 277.799 3.797 20 0 CHADMN CC[C@@](C)(NCCOCc1ccccc1)c1nccs1 ZINC000660079276 1120369013 /nfs/dbraw/zinc/36/90/13/1120369013.db2.gz FQBSGVXQJCJZQT-MRXNPFEDSA-N 0 1 290.432 3.575 20 0 CHADMN CCN(C(=O)c1cccc(F)c1O)c1ccccc1Cl ZINC001128350232 1120374009 /nfs/dbraw/zinc/37/40/09/1120374009.db2.gz TZXUPENVPLDETH-UHFFFAOYSA-N 0 1 293.725 3.851 20 0 CHADMN CSc1ccc(CN2CCc3cc(O)ccc3C2)cc1 ZINC000196271050 1120376678 /nfs/dbraw/zinc/37/66/78/1120376678.db2.gz MPEKRCKROLPLKH-UHFFFAOYSA-N 0 1 285.412 3.672 20 0 CHADMN CCCc1noc(CN2CCCC[C@H]2Cc2ccccc2)n1 ZINC000066155981 1120378891 /nfs/dbraw/zinc/37/88/91/1120378891.db2.gz CWQLFFHVDNRNPV-INIZCTEOSA-N 0 1 299.418 3.619 20 0 CHADMN CO[C@H](CSc1nc(-c2ccccc2)n[nH]1)CC(C)C ZINC000416893970 1120381569 /nfs/dbraw/zinc/38/15/69/1120381569.db2.gz QCRQSFPSBAYUTN-ZDUSSCGKSA-N 0 1 291.420 3.625 20 0 CHADMN Fc1cccc2c1CCC[C@H]2NCc1cnn(C2CCC2)c1 ZINC000922150251 1120389774 /nfs/dbraw/zinc/38/97/74/1120389774.db2.gz OXBOINHZAIJYKQ-GOSISDBHSA-N 0 1 299.393 3.914 20 0 CHADMN CCCN[C@@H](C)c1nc(C(C)(C)C2CCCCC2)no1 ZINC000843221849 1120395082 /nfs/dbraw/zinc/39/50/82/1120395082.db2.gz KKVHXHRQPKKWDA-LBPRGKRZSA-N 0 1 279.428 3.988 20 0 CHADMN C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)CCO1 ZINC000511599098 1120397522 /nfs/dbraw/zinc/39/75/22/1120397522.db2.gz YJPCEAHXJDDHIH-XJKCOSOUSA-N 0 1 279.811 3.902 20 0 CHADMN Cc1cc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)cc(Cl)n1 ZINC000320827889 1120407322 /nfs/dbraw/zinc/40/73/22/1120407322.db2.gz DJHQTCRYDPHNNN-DZGCQCFKSA-N 0 1 296.842 3.559 20 0 CHADMN CCN(Cc1ccoc1)Cc1c[nH]nc1-c1ccsc1 ZINC000682154035 1120413076 /nfs/dbraw/zinc/41/30/76/1120413076.db2.gz LVAGFVYNUYHOKO-UHFFFAOYSA-N 0 1 287.388 3.753 20 0 CHADMN CC[C@H](N[C@@H](C)[C@@H]1C[C@H]1c1cccs1)C(F)F ZINC000417347080 1120431290 /nfs/dbraw/zinc/43/12/90/1120431290.db2.gz GJLRAIVSDAUESP-MMWGEVLESA-N 0 1 259.365 3.873 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cc(C)ccn2)cc1 ZINC000683000859 1120433656 /nfs/dbraw/zinc/43/36/56/1120433656.db2.gz HMCNZNBHTVRLEP-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN Cc1ccnc(CN2CCc3ccccc3[C@H]2C)c1 ZINC000683008423 1120433823 /nfs/dbraw/zinc/43/38/23/1120433823.db2.gz XFMCTBSJYHRIEB-CQSZACIVSA-N 0 1 252.361 3.509 20 0 CHADMN C[C@H](N[C@H]1COCc2ccccc21)c1ccccc1N(C)C ZINC000417359521 1120435471 /nfs/dbraw/zinc/43/54/71/1120435471.db2.gz ISHVSOGQLGMMGI-KSSFIOAISA-N 0 1 296.414 3.675 20 0 CHADMN CO[C@H](CN[C@H](c1ccccc1)c1ccccn1)CC(C)C ZINC000417366952 1120438509 /nfs/dbraw/zinc/43/85/09/1120438509.db2.gz NLIMLXSVVXQCMB-PKOBYXMFSA-N 0 1 298.430 3.822 20 0 CHADMN CC(C)[C@H](O)CNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000357545941 1120440933 /nfs/dbraw/zinc/44/09/33/1120440933.db2.gz ZYENKDCFXAZUEF-CQSZACIVSA-N 0 1 298.308 3.682 20 0 CHADMN Cc1c[nH]nc1CN1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000685834876 1120442918 /nfs/dbraw/zinc/44/29/18/1120442918.db2.gz TVTXZXFDVYCQBW-QGZVFWFLSA-N 0 1 269.392 3.672 20 0 CHADMN COc1cccc2c1CCN([C@H]1CCc3ccc(F)cc31)C2 ZINC000584800924 1120450575 /nfs/dbraw/zinc/45/05/75/1120450575.db2.gz HTPVCNJKOGMIAD-SFHVURJKSA-N 0 1 297.373 3.880 20 0 CHADMN CC(C)c1ccccc1NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188306915 1120451638 /nfs/dbraw/zinc/45/16/38/1120451638.db2.gz JAPRLFPEWBULFG-UHFFFAOYSA-N 0 1 297.402 3.593 20 0 CHADMN CSc1cccc(CN[C@@H](C)c2cncc(F)c2)c1 ZINC000660243005 1120462842 /nfs/dbraw/zinc/46/28/42/1120462842.db2.gz SIXVQISMKSWUEN-NSHDSACASA-N 0 1 276.380 3.793 20 0 CHADMN CC(C)(C)c1cnc(CN2CCc3ccccc3CC2)o1 ZINC000116301922 1120466887 /nfs/dbraw/zinc/46/68/87/1120466887.db2.gz MLKFMJXBHYSMSF-UHFFFAOYSA-N 0 1 284.403 3.573 20 0 CHADMN Fc1cccc(C2(NCc3cnn(C4CCC4)c3)CCC2)c1 ZINC000922210709 1120469460 /nfs/dbraw/zinc/46/94/60/1120469460.db2.gz YZUWNLGGYJFQHR-UHFFFAOYSA-N 0 1 299.393 3.916 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccc(C)cc2C)n(C)n1 ZINC000417718631 1120476334 /nfs/dbraw/zinc/47/63/34/1120476334.db2.gz VXAKPJIHZQJPLD-OAHLLOKOSA-N 0 1 271.408 3.538 20 0 CHADMN CCn1cncc1CN(C)[C@@H](C)c1cc(C)ccc1C ZINC000417711588 1120476364 /nfs/dbraw/zinc/47/63/64/1120476364.db2.gz QFEYGTYEXQYGGZ-HNNXBMFYSA-N 0 1 271.408 3.713 20 0 CHADMN CO[C@H]1CCC[C@@H]1Sc1nc2ccc(Cl)cc2[nH]1 ZINC000543265987 1120477228 /nfs/dbraw/zinc/47/72/28/1120477228.db2.gz DCDRQYCOQGOJFK-RYUDHWBXSA-N 0 1 282.796 3.876 20 0 CHADMN CC(C)c1ccc(CN(C)Cc2ccc(F)nc2)cc1 ZINC000189282678 1120479025 /nfs/dbraw/zinc/47/90/25/1120479025.db2.gz XELOSNODVPQHJA-UHFFFAOYSA-N 0 1 272.367 3.976 20 0 CHADMN Cc1cc(C)cc(CNCc2ccnn2C2CCC2)c1 ZINC000922243750 1120482217 /nfs/dbraw/zinc/48/22/17/1120482217.db2.gz ZGTPRZQTEBUPFV-UHFFFAOYSA-N 0 1 269.392 3.515 20 0 CHADMN CCCC[N@@H+](CCOC)Cc1cc(-c2cccs2)on1 ZINC000068852776 1120485570 /nfs/dbraw/zinc/48/55/70/1120485570.db2.gz KOEYXKKCHQZABF-UHFFFAOYSA-N 0 1 294.420 3.652 20 0 CHADMN CCCCN(CCOC)Cc1cc(-c2cccs2)on1 ZINC000068852776 1120485573 /nfs/dbraw/zinc/48/55/73/1120485573.db2.gz KOEYXKKCHQZABF-UHFFFAOYSA-N 0 1 294.420 3.652 20 0 CHADMN Cc1cc([C@H]2CCC[N@H+]2C[C@@H]2CCCC3(CCC3)O2)on1 ZINC000929287009 1120486826 /nfs/dbraw/zinc/48/68/26/1120486826.db2.gz BDADOHUXCDJNBM-LSDHHAIUSA-N 0 1 290.407 3.612 20 0 CHADMN CC(C)(C)c1cccc(CN[C@@H](CO)c2ccsc2)c1 ZINC000660303923 1120489253 /nfs/dbraw/zinc/48/92/53/1120489253.db2.gz ZKNVUMMAPHWHLF-INIZCTEOSA-N 0 1 289.444 3.869 20 0 CHADMN CCCN[C@H](C)c1nc(-c2cccc(SCC)c2)no1 ZINC000843235357 1120489474 /nfs/dbraw/zinc/48/94/74/1120489474.db2.gz BGLKGBAARBDOOW-LLVKDONJSA-N 0 1 291.420 3.909 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1ccc(F)cc1 ZINC000019943597 1120497684 /nfs/dbraw/zinc/49/76/84/1120497684.db2.gz QLZOTYUPJANCTP-GFCCVEGCSA-N 0 1 259.324 3.685 20 0 CHADMN c1nn(C2CCC2)cc1CN[C@@H](c1ccccn1)C1CCC1 ZINC000922286012 1120499817 /nfs/dbraw/zinc/49/98/17/1120499817.db2.gz SDACAHRQEHGBHR-GOSISDBHSA-N 0 1 296.418 3.634 20 0 CHADMN CCc1ncc(CN[C@@H]2c3ccccc3CC[C@@H]2C)o1 ZINC000651462461 1120500676 /nfs/dbraw/zinc/50/06/76/1120500676.db2.gz RXCOZOGFDXADRW-SJCJKPOMSA-N 0 1 270.376 3.650 20 0 CHADMN CCc1ncc(CN[C@@H]2c3ccccc3CC[C@H]2C)o1 ZINC000651462460 1120501022 /nfs/dbraw/zinc/50/10/22/1120501022.db2.gz RXCOZOGFDXADRW-PXAZEXFGSA-N 0 1 270.376 3.650 20 0 CHADMN CCc1ncc(CN[C@H]2c3ccccc3CC[C@@H]2C)o1 ZINC000651462463 1120501070 /nfs/dbraw/zinc/50/10/70/1120501070.db2.gz RXCOZOGFDXADRW-YVEFUNNKSA-N 0 1 270.376 3.650 20 0 CHADMN Cc1scc(CNCc2nccc3c2CCCC3)c1C ZINC000922304097 1120503573 /nfs/dbraw/zinc/50/35/73/1120503573.db2.gz ZSYJICJWYWQVCI-UHFFFAOYSA-N 0 1 286.444 3.929 20 0 CHADMN C[C@@H](N[C@@H](c1cccnc1)C1CC1)c1cnn(C2CCC2)c1 ZINC000925642084 1120505303 /nfs/dbraw/zinc/50/53/03/1120505303.db2.gz DWDHIBMGCRBAJT-FZKQIMNGSA-N 0 1 296.418 3.805 20 0 CHADMN C[C@H](N[C@@H](c1cccnc1)C1CC1)c1cnn(C2CCC2)c1 ZINC000925642085 1120505857 /nfs/dbraw/zinc/50/58/57/1120505857.db2.gz DWDHIBMGCRBAJT-SCLBCKFNSA-N 0 1 296.418 3.805 20 0 CHADMN C[C@H]1CCC[N@@H+](CCN[C@H](c2ccco2)c2ccccc2)C1 ZINC000543407473 1120512925 /nfs/dbraw/zinc/51/29/25/1120512925.db2.gz HAUWRLACOYNKLK-LPHOPBHVSA-N 0 1 298.430 3.691 20 0 CHADMN COc1cc(CN[C@@H](C)c2cnc(C)s2)ccc1Cl ZINC000651468141 1120514569 /nfs/dbraw/zinc/51/45/69/1120514569.db2.gz YENBTHVWKNROQT-VIFPVBQESA-N 0 1 296.823 3.964 20 0 CHADMN CCc1ccc(CN[C@@H]2COc3ccc(F)cc32)cc1 ZINC000466468639 1120517809 /nfs/dbraw/zinc/51/78/09/1120517809.db2.gz JBGZUMVLVOYWFX-MRXNPFEDSA-N 0 1 271.335 3.611 20 0 CHADMN [O-]c1cccc2c(NC[C@H]3COc4ccccc43)cc[nH+]c12 ZINC000673510610 1120517987 /nfs/dbraw/zinc/51/79/87/1120517987.db2.gz OGWPIIKDWVEUFK-LBPRGKRZSA-N 0 1 292.338 3.529 20 0 CHADMN COc1cccnc1CN[C@@H](CC1CC1)c1ccccc1 ZINC000651476455 1120526521 /nfs/dbraw/zinc/52/65/21/1120526521.db2.gz ZSYOGDOYSUSAIK-INIZCTEOSA-N 0 1 282.387 3.721 20 0 CHADMN C[C@@H]1CC[C@@H]1N[C@@H](c1nccs1)c1ccccc1 ZINC000783229295 1120527838 /nfs/dbraw/zinc/52/78/38/1120527838.db2.gz DOGZOKOEWUWECL-KWCYVHTRSA-N 0 1 258.390 3.621 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H](C)[C@H](C)c2ccccc2)o1 ZINC000543468346 1120528642 /nfs/dbraw/zinc/52/86/42/1120528642.db2.gz ARFOQGUUOIAPRJ-IHRRRGAJSA-N 0 1 258.365 3.826 20 0 CHADMN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)cc1O ZINC000019838821 1120529581 /nfs/dbraw/zinc/52/95/81/1120529581.db2.gz AWYAQBMMIAJJHJ-SNVBAGLBSA-N 0 1 287.746 3.637 20 0 CHADMN Cc1cc(F)ccc1NC(=O)c1ccc(Cl)cc1O ZINC000019840173 1120529879 /nfs/dbraw/zinc/52/98/79/1120529879.db2.gz OCCQDQFMEDDIBF-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)cc1O ZINC000019838823 1120529919 /nfs/dbraw/zinc/52/99/19/1120529919.db2.gz AWYAQBMMIAJJHJ-JTQLQIEISA-N 0 1 287.746 3.637 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000543476103 1120531598 /nfs/dbraw/zinc/53/15/98/1120531598.db2.gz ZQZZJWNCMZNLSK-AXAPSJFSSA-N 0 1 297.389 3.755 20 0 CHADMN COc1c(F)c(C)ccc1-c1cncc2cc[nH]c21 ZINC001222308466 1120533783 /nfs/dbraw/zinc/53/37/83/1120533783.db2.gz FVSUTYKNTBISIV-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN FC1=CCC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000473047916 1120536372 /nfs/dbraw/zinc/53/63/72/1120536372.db2.gz JSORSYHNEWEQNW-UHFFFAOYSA-N 0 1 265.294 3.914 20 0 CHADMN FC1=CCCN(CC2CCC(C(F)(F)F)CC2)C1 ZINC000473047916 1120536373 /nfs/dbraw/zinc/53/63/73/1120536373.db2.gz JSORSYHNEWEQNW-UHFFFAOYSA-N 0 1 265.294 3.914 20 0 CHADMN Cc1cc(CO)cc(C)c1CNCc1sccc1Cl ZINC000922562421 1120551531 /nfs/dbraw/zinc/55/15/31/1120551531.db2.gz WFXPVPDCJLLNCJ-UHFFFAOYSA-N 0 1 295.835 3.800 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(C)cc2)c(OC)c1 ZINC000019962679 1120553200 /nfs/dbraw/zinc/55/32/00/1120553200.db2.gz WQGRFBRTQHIANI-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1ccnn1C ZINC000192727465 1120554855 /nfs/dbraw/zinc/55/48/55/1120554855.db2.gz BKHSQVXBJXWPDL-NXEZZACHSA-N 0 1 281.762 3.624 20 0 CHADMN CC(C)c1ncc(CN[C@H](c2ccccn2)C2CC2)s1 ZINC000922584276 1120557287 /nfs/dbraw/zinc/55/72/87/1120557287.db2.gz GFMYUGVWYRSTQZ-HNNXBMFYSA-N 0 1 287.432 3.902 20 0 CHADMN c1nc(C2CC2)sc1CN[C@H](c1ccccn1)C1CC1 ZINC000922586932 1120558350 /nfs/dbraw/zinc/55/83/50/1120558350.db2.gz TXECNIVBVXJBLL-HNNXBMFYSA-N 0 1 285.416 3.656 20 0 CHADMN COCc1ccc(CN[C@@H](C)COCC2CCCCC2)o1 ZINC000922603902 1120561961 /nfs/dbraw/zinc/56/19/61/1120561961.db2.gz VKHONFWYBYVYMY-AWEZNQCLSA-N 0 1 295.423 3.501 20 0 CHADMN CCc1cccc(CNCc2ncccc2C(F)(F)F)c1 ZINC000652033001 1120564648 /nfs/dbraw/zinc/56/46/48/1120564648.db2.gz UDXJPBNWTICCPN-UHFFFAOYSA-N 0 1 294.320 3.953 20 0 CHADMN CC(C)c1ccc(C(C)(C)NCc2cn(C)cn2)cc1 ZINC000673601548 1120569187 /nfs/dbraw/zinc/56/91/87/1120569187.db2.gz CNFZBKGFLXFBHP-UHFFFAOYSA-N 0 1 271.408 3.568 20 0 CHADMN C[C@H](CCc1ccc2c(c1)OCO2)N[C@H]1CCCC1(F)F ZINC000398143663 1120574049 /nfs/dbraw/zinc/57/40/49/1120574049.db2.gz XBPBHKMSAZGYNU-ABAIWWIYSA-N 0 1 297.345 3.514 20 0 CHADMN CCc1cc(CN[C@@H](C)c2ccc(C(C)C)cc2)[nH]n1 ZINC000765993846 1120574013 /nfs/dbraw/zinc/57/40/13/1120574013.db2.gz NIDRGRSMDOAHDY-ZDUSSCGKSA-N 0 1 271.408 3.946 20 0 CHADMN C[C@H]1CN(CC2CC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428933590 1120574229 /nfs/dbraw/zinc/57/42/29/1120574229.db2.gz LQPYLPOCIGUEGY-NHYWBVRUSA-N 0 1 299.336 3.877 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2ccc(F)cc2C)n1 ZINC000922667025 1120575034 /nfs/dbraw/zinc/57/50/34/1120575034.db2.gz HDGNOJOSPCSYNB-CYBMUJFWSA-N 0 1 288.366 3.779 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1ccnn1C1CCC1 ZINC000922670214 1120577017 /nfs/dbraw/zinc/57/70/17/1120577017.db2.gz ONWSQQJXUUZXFW-CYBMUJFWSA-N 0 1 287.382 3.906 20 0 CHADMN CCc1cc(CN[C@H](C)c2sc(C(C)C)nc2C)[nH]n1 ZINC000765996383 1120583165 /nfs/dbraw/zinc/58/31/65/1120583165.db2.gz ZTHBLNXZARATTQ-SNVBAGLBSA-N 0 1 292.452 3.711 20 0 CHADMN CCc1cc(CN[C@H](C)c2sc(C(C)C)nc2C)n[nH]1 ZINC000765996383 1120583168 /nfs/dbraw/zinc/58/31/68/1120583168.db2.gz ZTHBLNXZARATTQ-SNVBAGLBSA-N 0 1 292.452 3.711 20 0 CHADMN COc1ccc(OC)c(CN[C@H](C)c2ccc(F)cc2)c1 ZINC000020095813 1120583842 /nfs/dbraw/zinc/58/38/42/1120583842.db2.gz DPBSBXBCLDQDHJ-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@@H](CC)c1cccc(OC)n1 ZINC000925685227 1120587595 /nfs/dbraw/zinc/58/75/95/1120587595.db2.gz LCHBEIHQJWYATR-CJNGLKHVSA-N 0 1 299.418 3.850 20 0 CHADMN CCO[C@@H]1C[C@H](NCc2nc(C)oc2C)C12CCCCC2 ZINC000660413536 1120589202 /nfs/dbraw/zinc/58/92/02/1120589202.db2.gz RJHDWPJQGDBCKJ-JKSUJKDBSA-N 0 1 292.423 3.509 20 0 CHADMN CCOc1cc(F)cc(CNCc2ncc(C)cc2C)c1 ZINC000922737970 1120589636 /nfs/dbraw/zinc/58/96/36/1120589636.db2.gz QQMBRUJWSPXBFU-UHFFFAOYSA-N 0 1 288.366 3.526 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)c1Cl ZINC000922804449 1120601241 /nfs/dbraw/zinc/60/12/41/1120601241.db2.gz BHPRTNMTAFKZQR-ZDUSSCGKSA-N 0 1 295.810 3.627 20 0 CHADMN c1sc(C2CC2)nc1CNC[C@H]1CCCC2(CCC2)O1 ZINC000922813693 1120603318 /nfs/dbraw/zinc/60/33/18/1120603318.db2.gz QQDFRHYUVQHTPG-CQSZACIVSA-N 0 1 292.448 3.602 20 0 CHADMN C[C@H](CF)NCc1cccc(OCc2ccccc2F)c1 ZINC000673619138 1120603471 /nfs/dbraw/zinc/60/34/71/1120603471.db2.gz HLHZWEGRFOMANO-CYBMUJFWSA-N 0 1 291.341 3.852 20 0 CHADMN CCN(Cc1ccncc1Br)[C@@H](C)C(C)C ZINC000625107851 1120634844 /nfs/dbraw/zinc/63/48/44/1120634844.db2.gz LZSPVEHBRDJWGX-NSHDSACASA-N 0 1 285.229 3.711 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCOC[C@H](C2CCC2)C1 ZINC000428998570 1120608877 /nfs/dbraw/zinc/60/88/77/1120608877.db2.gz KLYUKQZDJVVAPV-GXTWGEPZSA-N 0 1 295.373 3.774 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@@H]1CCc2cc(C)ccc21 ZINC000766001120 1120608932 /nfs/dbraw/zinc/60/89/32/1120608932.db2.gz GFRTVIULTLXCJT-MEDUHNTESA-N 0 1 270.376 3.938 20 0 CHADMN CCc1ccc(CN2CCCC[C@H]2c2ccnn2C)cc1 ZINC000500405244 1120614204 /nfs/dbraw/zinc/61/42/04/1120614204.db2.gz SLWISESQPHWXSM-SFHVURJKSA-N 0 1 283.419 3.710 20 0 CHADMN c1nc(C2CC2)sc1CN[C@@H]1CCCc2cccnc21 ZINC000922878273 1120615861 /nfs/dbraw/zinc/61/58/61/1120615861.db2.gz ZIOVQSKVBGPKKY-CQSZACIVSA-N 0 1 285.416 3.583 20 0 CHADMN CCOc1ccc(CN[C@@H]2CCCc3cccnc32)c(C)c1 ZINC000922875592 1120616028 /nfs/dbraw/zinc/61/60/28/1120616028.db2.gz NRAQXGLZNJGSKP-GOSISDBHSA-N 0 1 296.414 3.956 20 0 CHADMN Fc1cc(F)cc(CN[C@H]2CCCc3cccnc32)c1 ZINC000922881100 1120617603 /nfs/dbraw/zinc/61/76/03/1120617603.db2.gz HOXJOQZIGYZWIH-HNNXBMFYSA-N 0 1 274.314 3.527 20 0 CHADMN COc1cncc(CNC(C)(C)c2cccc(F)c2)c1C ZINC000631075690 1120618367 /nfs/dbraw/zinc/61/83/67/1120618367.db2.gz FNMHVUWKYPFQAF-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN CCc1cc(CN[C@H](C)c2cc3ccccc3o2)[nH]n1 ZINC000766004954 1120620629 /nfs/dbraw/zinc/62/06/29/1120620629.db2.gz UPVROXZKWNUZQQ-LLVKDONJSA-N 0 1 269.348 3.569 20 0 CHADMN CCc1ccc(CN2CC=C(c3ccc(O)cc3)CC2)nc1 ZINC000338890626 1120622212 /nfs/dbraw/zinc/62/22/12/1120622212.db2.gz VDNIWPJPVICLDO-UHFFFAOYSA-N 0 1 294.398 3.639 20 0 CHADMN Cc1sccc1CN[C@H]1CCCc2cccnc21 ZINC000922885001 1120625655 /nfs/dbraw/zinc/62/56/55/1120625655.db2.gz XKIFOHNYHYJZCF-AWEZNQCLSA-N 0 1 258.390 3.619 20 0 CHADMN C[C@@H](CN(C)Cc1cccnc1Cl)c1ccccc1 ZINC000066853399 1120627343 /nfs/dbraw/zinc/62/73/43/1120627343.db2.gz HRSGZEYLQCJSBT-ZDUSSCGKSA-N 0 1 274.795 3.971 20 0 CHADMN C[C@H]1CCCN(Cc2coc(-c3ccccc3F)n2)C1 ZINC000625064373 1120627901 /nfs/dbraw/zinc/62/79/01/1120627901.db2.gz IVRLKOCDWMHZKR-LBPRGKRZSA-N 0 1 274.339 3.713 20 0 CHADMN Cc1cc(-c2ccc([C@@H]3COCCN3)cc2)c(F)cc1F ZINC000629712319 1128929393 /nfs/dbraw/zinc/92/93/93/1128929393.db2.gz UMJVJKOPFXWBDL-KRWDZBQOSA-N 0 1 289.325 3.601 20 0 CHADMN C[C@H]1CCC[C@H](N(C)Cc2ccncc2Br)C1 ZINC000625082714 1120631391 /nfs/dbraw/zinc/63/13/91/1120631391.db2.gz COKGJQNQBYJPPA-AAEUAGOBSA-N 0 1 297.240 3.855 20 0 CHADMN Cc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc1 ZINC000473135920 1120635076 /nfs/dbraw/zinc/63/50/76/1120635076.db2.gz WBQSHCZYPNNHGE-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN COc1ccc2cc(CN(C)CC(C)C)c(Cl)nc2c1 ZINC000037758258 1120636623 /nfs/dbraw/zinc/63/66/23/1120636623.db2.gz LIJKBTZTWGHUIU-UHFFFAOYSA-N 0 1 292.810 3.985 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccccc2SC)sn1 ZINC000660479425 1120636978 /nfs/dbraw/zinc/63/69/78/1120636978.db2.gz XDLJUQBWLBGGRC-JTQLQIEISA-N 0 1 294.445 3.724 20 0 CHADMN CC(C)(C)CCC[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000302245971 1120640137 /nfs/dbraw/zinc/64/01/37/1120640137.db2.gz ANFGMSOOHZBIQC-ZDUSSCGKSA-N 0 1 255.402 3.532 20 0 CHADMN COc1cc(CN2CCCC23CC3)cc(C(F)(F)F)c1 ZINC001143511818 1120640759 /nfs/dbraw/zinc/64/07/59/1120640759.db2.gz MFUUJHVXNRQILZ-UHFFFAOYSA-N 0 1 285.309 3.842 20 0 CHADMN O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)C1CC1 ZINC000047234451 1120643468 /nfs/dbraw/zinc/64/34/68/1120643468.db2.gz ALRMGNZBZQZYHA-UHFFFAOYSA-N 0 1 295.317 3.718 20 0 CHADMN CCC(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000047278374 1120645229 /nfs/dbraw/zinc/64/52/29/1120645229.db2.gz RARPDXNKBZBXIB-UHFFFAOYSA-N 0 1 297.333 3.641 20 0 CHADMN Cc1cccc2c1CCN2C(=O)c1ccc(O)c(Cl)c1 ZINC000126783895 1120645347 /nfs/dbraw/zinc/64/53/47/1120645347.db2.gz VGYUMRRBXVWVTJ-UHFFFAOYSA-N 0 1 287.746 3.557 20 0 CHADMN Cc1ccc(CN(Cc2cccc3nsnc32)C2CC2)o1 ZINC000766014289 1120645647 /nfs/dbraw/zinc/64/56/47/1120645647.db2.gz PDCRCVYIGLWEEI-UHFFFAOYSA-N 0 1 299.399 3.757 20 0 CHADMN FC(F)(F)[C@H]1CCN(Cc2ccncc2)CC12CCC2 ZINC000282417544 1120647404 /nfs/dbraw/zinc/64/74/04/1120647404.db2.gz JBHWMZSZDULWFE-ZDUSSCGKSA-N 0 1 284.325 3.636 20 0 CHADMN CCO[C@H](CN1CC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000625213375 1120648676 /nfs/dbraw/zinc/64/86/76/1120648676.db2.gz SSCOYIAHMHELCF-HZPDHXFCSA-N 0 1 279.811 3.902 20 0 CHADMN CO[C@H](CN1CCCn2c(cc3ccccc32)C1)C1CCC1 ZINC000660555734 1120657586 /nfs/dbraw/zinc/65/75/86/1120657586.db2.gz ARKWDIKRJPRTES-LJQANCHMSA-N 0 1 298.430 3.662 20 0 CHADMN Cc1cncc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000282431121 1120660319 /nfs/dbraw/zinc/66/03/19/1120660319.db2.gz KCHBLMMRTSSYGA-CQSZACIVSA-N 0 1 298.352 3.945 20 0 CHADMN Cc1cccc(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)c1 ZINC000511837987 1120660768 /nfs/dbraw/zinc/66/07/68/1120660768.db2.gz KVIQSNGVFFIJCE-QFBILLFUSA-N 0 1 281.399 3.957 20 0 CHADMN CC[C@H]1CN(Cc2csc3ccccc23)C[C@H](C)O1 ZINC000511841699 1120660941 /nfs/dbraw/zinc/66/09/41/1120660941.db2.gz FGLXPBGDMHAGPT-JSGCOSHPSA-N 0 1 275.417 3.901 20 0 CHADMN c1nc(C2CC2)sc1CN1CC[C@@H](Nc2ccccc2)C1 ZINC000092758331 1128931683 /nfs/dbraw/zinc/93/16/83/1128931683.db2.gz YAUQLOFLCQSBOW-OAHLLOKOSA-N 0 1 299.443 3.707 20 0 CHADMN CCc1nocc1CN(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000660595731 1120666663 /nfs/dbraw/zinc/66/66/63/1120666663.db2.gz HMZMJYDBSJGDGP-YPMHNXCESA-N 0 1 290.329 3.790 20 0 CHADMN CCCCCN(CCCOC)Cc1ncccc1Cl ZINC000625316635 1120667115 /nfs/dbraw/zinc/66/71/15/1120667115.db2.gz VKCDKMXYFNASGS-UHFFFAOYSA-N 0 1 284.831 3.764 20 0 CHADMN CCCCCc1cc(C(=O)N(CC)C2CC(C)(C)C2)n[nH]1 ZINC001299285992 1120667570 /nfs/dbraw/zinc/66/75/70/1120667570.db2.gz VAVPHDMAPZCAIJ-UHFFFAOYSA-N 0 1 291.439 3.793 20 0 CHADMN Clc1cnccc1CN1C2CCCC1CCC2 ZINC000673754849 1120668428 /nfs/dbraw/zinc/66/84/28/1120668428.db2.gz GYWZTQGEUWRTSM-UHFFFAOYSA-N 0 1 250.773 3.642 20 0 CHADMN CCN(CCC(=O)c1ccc(C)cc1)Cc1ccoc1 ZINC000159166485 1120668455 /nfs/dbraw/zinc/66/84/55/1120668455.db2.gz UFHYCWGTUNFBOY-UHFFFAOYSA-N 0 1 271.360 3.683 20 0 CHADMN Fc1ccccc1-c1nc(CN2CCCC3(CC3)C2)co1 ZINC000625331457 1120668527 /nfs/dbraw/zinc/66/85/27/1120668527.db2.gz UACSUVJCARZXNH-UHFFFAOYSA-N 0 1 286.350 3.857 20 0 CHADMN CCC[C@@H](C)CCCN[C@@H](C)c1nnc(C)s1 ZINC000625324480 1120669906 /nfs/dbraw/zinc/66/99/06/1120669906.db2.gz QKHHFVCGZUQTFU-MNOVXSKESA-N 0 1 255.431 3.714 20 0 CHADMN CCCOc1cccc(NCc2[nH]nc3ccccc32)c1 ZINC000673810960 1120676135 /nfs/dbraw/zinc/67/61/35/1120676135.db2.gz CBCFMYVJLMTWQS-UHFFFAOYSA-N 0 1 281.359 3.964 20 0 CHADMN C[C@H](c1cccc2ccccc21)N1CCc2nc[nH]c2C1 ZINC000625438528 1120680108 /nfs/dbraw/zinc/68/01/08/1120680108.db2.gz VFCYGFZWMAVWHP-CYBMUJFWSA-N 0 1 277.371 3.682 20 0 CHADMN Cc1c(C)c(C)c(CN2CCc3nc[nH]c3C2)c(C)c1C ZINC000625437403 1120681825 /nfs/dbraw/zinc/68/18/25/1120681825.db2.gz JSVZFQVWHKEUMD-UHFFFAOYSA-N 0 1 283.419 3.510 20 0 CHADMN Nc1cccc(CN2CC3(CCC3)[C@@H]2c2ccco2)c1 ZINC000660738193 1120683350 /nfs/dbraw/zinc/68/33/50/1120683350.db2.gz QAJHRCKKEKNJNX-INIZCTEOSA-N 0 1 268.360 3.589 20 0 CHADMN CCO[C@@H]1CCCC[C@H]1NCc1nsc2ccccc12 ZINC000660756526 1120685922 /nfs/dbraw/zinc/68/59/22/1120685922.db2.gz XGTVLGZDUJXQNQ-UKRRQHHQSA-N 0 1 290.432 3.734 20 0 CHADMN Cc1cc(CNCc2cn(C)nc2-c2ccccc2)c(C)o1 ZINC000093075335 1120693453 /nfs/dbraw/zinc/69/34/53/1120693453.db2.gz DPVMVPBNFGDTJO-UHFFFAOYSA-N 0 1 295.386 3.587 20 0 CHADMN COc1cccc2c1CCN(Cc1ccc(C)cc1)C2 ZINC000543874697 1120695909 /nfs/dbraw/zinc/69/59/09/1120695909.db2.gz KZBFKTCVQSVMNX-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN Cc1ccc2sc(CN3CC[C@]4(CC4(F)F)C3)nc2c1 ZINC000625513567 1120697008 /nfs/dbraw/zinc/69/70/08/1120697008.db2.gz WPOMAZKBDNGGMA-AWEZNQCLSA-N 0 1 294.370 3.836 20 0 CHADMN Cc1ccccc1C1(NCc2cnc3ccccc3n2)CC1 ZINC000660903949 1120697825 /nfs/dbraw/zinc/69/78/25/1120697825.db2.gz YGGBFAXTQGCDSZ-UHFFFAOYSA-N 0 1 289.382 3.717 20 0 CHADMN CC(C)C[C@H]1CCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000253549101 1128934195 /nfs/dbraw/zinc/93/41/95/1128934195.db2.gz KATTZYZRADFVPU-ZIAGYGMSSA-N 0 1 299.418 3.764 20 0 CHADMN Cc1cccc(CN[C@H]2c3ccccc3O[C@@H]2C)c1C ZINC000673950643 1120699871 /nfs/dbraw/zinc/69/98/71/1120699871.db2.gz ZTONPGBUENOBLF-RDTXWAMCSA-N 0 1 267.372 3.915 20 0 CHADMN Cc1cccc(CN[C@@H]2c3ccccc3O[C@@H]2C)c1C ZINC000673950641 1120700025 /nfs/dbraw/zinc/70/00/25/1120700025.db2.gz ZTONPGBUENOBLF-KDOFPFPSSA-N 0 1 267.372 3.915 20 0 CHADMN COCc1cccc(CN2Cc3ccccc3O[C@H](C)C2)c1 ZINC000429172993 1120702701 /nfs/dbraw/zinc/70/27/01/1120702701.db2.gz SZVOAQKSIYJVAI-OAHLLOKOSA-N 0 1 297.398 3.616 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931459471 1120706906 /nfs/dbraw/zinc/70/69/06/1120706906.db2.gz POWHDNXYDZMYAL-XHDPSFHLSA-N 0 1 273.355 3.619 20 0 CHADMN COc1cc(CN2CCC(OC(C)(C)C)CC2)ccc1F ZINC000092454378 1120708512 /nfs/dbraw/zinc/70/85/12/1120708512.db2.gz ABBDVUYNFGALGR-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN CCc1cccc(CNCc2c(C)cc(C)nc2OC)c1 ZINC000651699458 1120716039 /nfs/dbraw/zinc/71/60/39/1120716039.db2.gz VNGICQVYZILURZ-UHFFFAOYSA-N 0 1 284.403 3.559 20 0 CHADMN CCc1nnc([C@H](C)N[C@H]2CCCC23CCCCC3)o1 ZINC000661127310 1120724200 /nfs/dbraw/zinc/72/42/00/1120724200.db2.gz DRWKSPYQHCCAAN-STQMWFEESA-N 0 1 277.412 3.786 20 0 CHADMN Cc1cccc(C)c1[C@@H]1CCCN1Cc1ccon1 ZINC000661137582 1120727066 /nfs/dbraw/zinc/72/70/66/1120727066.db2.gz QXFIMHAJZXIAHE-HNNXBMFYSA-N 0 1 256.349 3.629 20 0 CHADMN CC1(C)C[C@H](N(Cc2ccccc2)Cc2ccncc2)CO1 ZINC000661193216 1120734068 /nfs/dbraw/zinc/73/40/68/1120734068.db2.gz FIWUKHFBGCXXND-SFHVURJKSA-N 0 1 296.414 3.651 20 0 CHADMN CC(C)c1noc(CN2CCc3ccccc3C(C)(C)C2)n1 ZINC000661209845 1120737364 /nfs/dbraw/zinc/73/73/64/1120737364.db2.gz LSSYXSBWSJUGBF-UHFFFAOYSA-N 0 1 299.418 3.529 20 0 CHADMN c1csc(C[N@H+]2CCCC3(CCCC3)CC2)n1 ZINC000661231478 1120741551 /nfs/dbraw/zinc/74/15/51/1120741551.db2.gz OJGHDKLKAPFFBZ-UHFFFAOYSA-N 0 1 250.411 3.689 20 0 CHADMN COc1cc(F)c(CN[C@@H](C)c2ccsc2)cc1OC ZINC000651795533 1120747727 /nfs/dbraw/zinc/74/77/27/1120747727.db2.gz DBKCTQCOZWSGRB-JTQLQIEISA-N 0 1 295.379 3.755 20 0 CHADMN COc1cc(OC)c(CN[C@@H](C)c2ccsc2)cc1F ZINC000651795557 1120748353 /nfs/dbraw/zinc/74/83/53/1120748353.db2.gz FOMNVYXJKCEPJO-JTQLQIEISA-N 0 1 295.379 3.755 20 0 CHADMN CC(C)c1nc(CN[C@H]2CCCC2(F)F)c2ccccn21 ZINC000651812295 1120751679 /nfs/dbraw/zinc/75/16/79/1120751679.db2.gz TVLZRCPVNWIXOP-AWEZNQCLSA-N 0 1 293.361 3.735 20 0 CHADMN CC[N@@H+](Cc1cc2cnccc2o1)Cc1occc1C ZINC000651831689 1120757443 /nfs/dbraw/zinc/75/74/43/1120757443.db2.gz DHLYPTGIMGFAFU-UHFFFAOYSA-N 0 1 270.332 3.751 20 0 CHADMN CCN(Cc1cc2cnccc2o1)Cc1occc1C ZINC000651831689 1120757446 /nfs/dbraw/zinc/75/74/46/1120757446.db2.gz DHLYPTGIMGFAFU-UHFFFAOYSA-N 0 1 270.332 3.751 20 0 CHADMN CC(C)c1ccc2c(c1)CN(Cc1ccncc1)CC2 ZINC000661372794 1120758179 /nfs/dbraw/zinc/75/81/79/1120758179.db2.gz AXQDICPERBUIHE-UHFFFAOYSA-N 0 1 266.388 3.763 20 0 CHADMN Cc1ccc(OCCCN[C@@H](C)c2cscn2)cc1C ZINC000661422020 1120764297 /nfs/dbraw/zinc/76/42/97/1120764297.db2.gz OOQLRDWHBMYKLQ-AWEZNQCLSA-N 0 1 290.432 3.880 20 0 CHADMN Cc1ccc(C)c(OCCCN[C@H](C)c2cscn2)c1 ZINC000661424590 1120764468 /nfs/dbraw/zinc/76/44/68/1120764468.db2.gz ZHBHCBCMDAWZQX-CQSZACIVSA-N 0 1 290.432 3.880 20 0 CHADMN C[C@@H]1CC[C@H](CN2CC3(CCCC3)[C@H]2c2ccco2)O1 ZINC000661437416 1120766866 /nfs/dbraw/zinc/76/68/66/1120766866.db2.gz LNWBLZISIUVGDB-IIAWOOMASA-N 0 1 275.392 3.764 20 0 CHADMN C[C@@H]1CC[C@@H](CN2CC3(CCCC3)[C@@H]2c2ccco2)O1 ZINC000661437420 1120767358 /nfs/dbraw/zinc/76/73/58/1120767358.db2.gz LNWBLZISIUVGDB-YCPHGPKFSA-N 0 1 275.392 3.764 20 0 CHADMN c1c2c(oc1-c1ccccc1)CC[N@H+](CC1=CCCOC1)C2 ZINC000651878755 1120768718 /nfs/dbraw/zinc/76/87/18/1120768718.db2.gz BJBODAOPRYCGTI-UHFFFAOYSA-N 0 1 295.382 3.651 20 0 CHADMN c1c2c(oc1-c1ccccc1)CCN(CC1=CCCOC1)C2 ZINC000651878755 1120768720 /nfs/dbraw/zinc/76/87/20/1120768720.db2.gz BJBODAOPRYCGTI-UHFFFAOYSA-N 0 1 295.382 3.651 20 0 CHADMN CCn1nccc1CN(C)[C@@H](C)CSc1ccccc1 ZINC000651875385 1120769426 /nfs/dbraw/zinc/76/94/26/1120769426.db2.gz CEORKFJSSOHSKY-AWEZNQCLSA-N 0 1 289.448 3.516 20 0 CHADMN COc1ccc(CN[C@H](c2ccccc2F)C(C)C)nc1 ZINC000661484490 1120770454 /nfs/dbraw/zinc/77/04/54/1120770454.db2.gz LEQBSBLZAGYKDV-KRWDZBQOSA-N 0 1 288.366 3.716 20 0 CHADMN CCc1ccc(CN[C@H](c2ccccc2F)[C@H](C)O)s1 ZINC000651892569 1120771940 /nfs/dbraw/zinc/77/19/40/1120771940.db2.gz BHHJXVNRJDROGD-ZBEGNZNMSA-N 0 1 293.407 3.661 20 0 CHADMN CC(C)O[C@@H]1CCCN(Cc2cnc(C(C)(C)C)s2)C1 ZINC000651897094 1120772764 /nfs/dbraw/zinc/77/27/64/1120772764.db2.gz OEVMSWSUOGIRED-CYBMUJFWSA-N 0 1 296.480 3.830 20 0 CHADMN Cc1cccc(CCN2CC[C@H]2c2ccc(F)cc2)n1 ZINC000661511053 1120773654 /nfs/dbraw/zinc/77/36/54/1120773654.db2.gz WNBMEORYYFILHX-KRWDZBQOSA-N 0 1 270.351 3.519 20 0 CHADMN Cn1cc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c(C(F)F)n1 ZINC000661578042 1120781039 /nfs/dbraw/zinc/78/10/39/1120781039.db2.gz IHNMKKCPIFJZKJ-CYBMUJFWSA-N 0 1 297.393 3.760 20 0 CHADMN CC(C)n1ccnc1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000661578018 1120781445 /nfs/dbraw/zinc/78/14/45/1120781445.db2.gz HRAXHFFKFCAXTJ-INIZCTEOSA-N 0 1 275.440 3.866 20 0 CHADMN CC(C)n1ccnc1CN1CC[C@H](C2CCCCC2)C1 ZINC000661578018 1120781447 /nfs/dbraw/zinc/78/14/47/1120781447.db2.gz HRAXHFFKFCAXTJ-INIZCTEOSA-N 0 1 275.440 3.866 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@@H](C3CCCCC3)C2)o1 ZINC000661585935 1120781742 /nfs/dbraw/zinc/78/17/42/1120781742.db2.gz MUBRZCROTZFUGT-GXTWGEPZSA-N 0 1 277.412 3.595 20 0 CHADMN CCN[C@@H](C)c1nc(-c2cccc3ccccc32)no1 ZINC000109510171 1120785038 /nfs/dbraw/zinc/78/50/38/1120785038.db2.gz STAPJXNAAOXERF-NSHDSACASA-N 0 1 267.332 3.560 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N(C)CC1=CCCOC1 ZINC000661654692 1120789793 /nfs/dbraw/zinc/78/97/93/1120789793.db2.gz MAKVCTVXUKAEHO-NSHDSACASA-N 0 1 283.774 3.819 20 0 CHADMN Cc1nc2cc(NCc3ccccc3F)ccc2n1C ZINC000151967233 1120800847 /nfs/dbraw/zinc/80/08/47/1120800847.db2.gz DMUFTJHIGBRFLS-UHFFFAOYSA-N 0 1 269.323 3.633 20 0 CHADMN CCC[C@H](C)N(C)Cc1nc(-c2ccccc2C)no1 ZINC000048071030 1120801158 /nfs/dbraw/zinc/80/11/58/1120801158.db2.gz PUGZNCFABPLVTF-ZDUSSCGKSA-N 0 1 273.380 3.665 20 0 CHADMN Cc1cc([C@H](C)NCc2cccc3ccsc32)nn1C ZINC000652219691 1120801677 /nfs/dbraw/zinc/80/16/77/1120801677.db2.gz IPBNJEGYRSVMIR-LBPRGKRZSA-N 0 1 285.416 3.794 20 0 CHADMN CC(C)(C)C[C@@H]1C[C@H]1N[C@H](c1ccccc1)c1cncnc1 ZINC000652240640 1120803595 /nfs/dbraw/zinc/80/35/95/1120803595.db2.gz JWWWEUSAFLURCR-CGTJXYLNSA-N 0 1 295.430 3.980 20 0 CHADMN CCc1cccc(NC(=O)c2cc(F)cc3[nH]cnc32)c1 ZINC000048244654 1120805843 /nfs/dbraw/zinc/80/58/43/1120805843.db2.gz ABBQHLVPQKLWCU-UHFFFAOYSA-N 0 1 283.306 3.517 20 0 CHADMN CN(Cc1ncc(Cl)s1)C1CCCCCC1 ZINC000473146450 1120814391 /nfs/dbraw/zinc/81/43/91/1120814391.db2.gz ZHUHHKRLUMDNOT-UHFFFAOYSA-N 0 1 258.818 3.951 20 0 CHADMN Fc1ccccc1CN(Cc1ccncc1)CC1CC1 ZINC000661793501 1120816183 /nfs/dbraw/zinc/81/61/83/1120816183.db2.gz KNXHVVWCFBSHHG-UHFFFAOYSA-N 0 1 270.351 3.633 20 0 CHADMN CC[C@H]1CCCCN1CC(=O)Nc1cc(C)ccc1C ZINC000048418889 1120818600 /nfs/dbraw/zinc/81/86/00/1120818600.db2.gz VBOLIMOFJJQWQW-HNNXBMFYSA-N 0 1 274.408 3.506 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nc(-c2ccccc2)no1 ZINC000048418746 1120819248 /nfs/dbraw/zinc/81/92/48/1120819248.db2.gz NDCXMHDLUXHFIR-CQSZACIVSA-N 0 1 271.364 3.501 20 0 CHADMN C[N@H+](Cc1nc(C(C)(C)C)co1)C[C@@H]1CC=CCC1 ZINC000893522110 1120819912 /nfs/dbraw/zinc/81/99/12/1120819912.db2.gz LLVOPTDRCSGRBT-CYBMUJFWSA-N 0 1 262.397 3.760 20 0 CHADMN CN(Cc1nc(C(C)(C)C)co1)C[C@@H]1CC=CCC1 ZINC000893522110 1120819918 /nfs/dbraw/zinc/81/99/18/1120819918.db2.gz LLVOPTDRCSGRBT-CYBMUJFWSA-N 0 1 262.397 3.760 20 0 CHADMN Clc1ccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)nc1 ZINC000661876275 1120832722 /nfs/dbraw/zinc/83/27/22/1120832722.db2.gz UPUHFVSQLCCADN-BBRMVZONSA-N 0 1 294.826 3.516 20 0 CHADMN Clc1ccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)nc1 ZINC000661876278 1120833011 /nfs/dbraw/zinc/83/30/11/1120833011.db2.gz UPUHFVSQLCCADN-XJKSGUPXSA-N 0 1 294.826 3.516 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N(Cc2cccc(Br)n2)C1 ZINC000779437673 1128943511 /nfs/dbraw/zinc/94/35/11/1128943511.db2.gz UHCNIILCGLAOLS-VXGBXAGGSA-N 0 1 297.240 3.855 20 0 CHADMN CC[C@@H](NCc1ccc(C)c(C)n1)c1ccc2c(c1)CCO2 ZINC000313996714 1120834364 /nfs/dbraw/zinc/83/43/64/1120834364.db2.gz YPYKAKRNZHYTKF-GOSISDBHSA-N 0 1 296.414 3.874 20 0 CHADMN CC[N@H+](Cc1ccc(Cl)o1)C[C@H](O)c1ccc(C)cc1 ZINC000093640747 1120835229 /nfs/dbraw/zinc/83/52/29/1120835229.db2.gz WDBMZIZFZHRLGL-HNNXBMFYSA-N 0 1 293.794 3.797 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccc(C)c(C)c2)nn1C ZINC000487367278 1120836663 /nfs/dbraw/zinc/83/66/63/1120836663.db2.gz QGGWXDKDIBSZPW-GOSISDBHSA-N 0 1 283.419 3.682 20 0 CHADMN CC[N@@H+](CC[C@H](C(=O)[O-])c1ccccc1)Cc1ccccc1 ZINC000652368784 1120843445 /nfs/dbraw/zinc/84/34/45/1120843445.db2.gz SGMXBHDGIRXQBJ-SFHVURJKSA-N 0 1 297.398 3.767 20 0 CHADMN CCCN(CC(=O)Nc1ccccc1C)Cc1ccccc1 ZINC000048811927 1120843900 /nfs/dbraw/zinc/84/39/00/1120843900.db2.gz RUXZXLGOMFPHFM-UHFFFAOYSA-N 0 1 296.414 3.846 20 0 CHADMN O=C([O-])CC1(C[N@@H+](Cc2ccco2)Cc2ccccc2)CC1 ZINC000652376065 1120847488 /nfs/dbraw/zinc/84/74/88/1120847488.db2.gz TVEIMFGLAUIUPZ-UHFFFAOYSA-N 0 1 299.370 3.537 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN(C)CCC(C)C ZINC000049000516 1120849327 /nfs/dbraw/zinc/84/93/27/1120849327.db2.gz UNLYSBSVOODCFM-UHFFFAOYSA-N 0 1 272.392 3.637 20 0 CHADMN O=C([O-])c1ccoc1C[N@@H+](CC1CCCCC1)C1CC1 ZINC000652398256 1120852779 /nfs/dbraw/zinc/85/27/79/1120852779.db2.gz KKQDVXMYDZNRNS-UHFFFAOYSA-N 0 1 277.364 3.523 20 0 CHADMN C[C@H]([N@@H+](C)CC[C@H](C(=O)[O-])c1ccccc1)C(C)(C)C ZINC000652394436 1120852860 /nfs/dbraw/zinc/85/28/60/1120852860.db2.gz GXJAYLTVKWYNMG-ZFWWWQNUSA-N 0 1 277.408 3.611 20 0 CHADMN C[C@@H](N[C@@H](C)C1CCC(F)CC1)c1nc(C2CC2)no1 ZINC000661999244 1120855316 /nfs/dbraw/zinc/85/53/16/1120855316.db2.gz DYNGIPSZSZRWNC-KIENENRBSA-N 0 1 281.375 3.514 20 0 CHADMN Clc1ccc(-c2ccc([C@@H]3COCCN3)cc2)cc1 ZINC000630050932 1128945365 /nfs/dbraw/zinc/94/53/65/1128945365.db2.gz GUXCBIDXHUPWHY-INIZCTEOSA-N 0 1 273.763 3.668 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)N1CCC2(COC2)C1 ZINC000662073678 1120869646 /nfs/dbraw/zinc/86/96/46/1120869646.db2.gz LAQXEVGXWSXNJK-SNVBAGLBSA-N 0 1 286.202 3.777 20 0 CHADMN CC(C)(C(=O)Nc1ccc2c(c1)C=CCCC2)c1cnc[nH]1 ZINC000618847636 1128945865 /nfs/dbraw/zinc/94/58/65/1128945865.db2.gz SJMWIIDFEFSQOU-UHFFFAOYSA-N 0 1 295.386 3.676 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(C(F)F)c1 ZINC000652484750 1120871242 /nfs/dbraw/zinc/87/12/42/1120871242.db2.gz PISWFIGCAXCQEX-ZDUSSCGKSA-N 0 1 285.334 3.555 20 0 CHADMN Cc1ccc([C@H]2COCCN2C[C@H](C)c2ccccc2)o1 ZINC000247162873 1120875431 /nfs/dbraw/zinc/87/54/31/1120875431.db2.gz QNUKDMNEIVERMV-WMLDXEAASA-N 0 1 285.387 3.765 20 0 CHADMN Cc1ccccc1[C@@H](C)[N@H+]1CCOc2ccc(O)cc2C1 ZINC000662100813 1120875881 /nfs/dbraw/zinc/87/58/81/1120875881.db2.gz JUPYXEDTNOZKET-CQSZACIVSA-N 0 1 283.371 3.656 20 0 CHADMN Cc1ccccc1[C@@H](C)N1CCOc2ccc(O)cc2C1 ZINC000662100813 1120875883 /nfs/dbraw/zinc/87/58/83/1120875883.db2.gz JUPYXEDTNOZKET-CQSZACIVSA-N 0 1 283.371 3.656 20 0 CHADMN CC[C@@H](c1ccccc1)N(Cc1cc[nH]n1)C(C)C ZINC000662108512 1120877667 /nfs/dbraw/zinc/87/76/67/1120877667.db2.gz ZYBUJTOMPPXUOG-INIZCTEOSA-N 0 1 257.381 3.771 20 0 CHADMN C[C@H](N[C@@H]1CO[C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000402018876 1120879504 /nfs/dbraw/zinc/87/95/04/1120879504.db2.gz VCJCAPBUTGCVGE-VGMNWLOBSA-N 0 1 292.181 3.961 20 0 CHADMN C[C@H](N[C@H]1CO[C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000402018870 1120879599 /nfs/dbraw/zinc/87/95/99/1120879599.db2.gz VCJCAPBUTGCVGE-HRDYMLBCSA-N 0 1 292.181 3.961 20 0 CHADMN COc1c(F)cccc1CN1CC[C@H](C)C(F)(F)CC1 ZINC001143521985 1120881194 /nfs/dbraw/zinc/88/11/94/1120881194.db2.gz NMEOEIGEOGGXEI-NSHDSACASA-N 0 1 287.325 3.702 20 0 CHADMN CCCCC[C@@H]1CCCCN1Cc1nnc(CC)o1 ZINC000662155824 1120885953 /nfs/dbraw/zinc/88/59/53/1120885953.db2.gz OESHJLCGXANXGC-CYBMUJFWSA-N 0 1 265.401 3.567 20 0 CHADMN Cc1ccc(CNc2ccc(F)c(-c3nc[nH]n3)c2)cc1C ZINC000630059199 1128946909 /nfs/dbraw/zinc/94/69/09/1128946909.db2.gz AIGHVNLTUSSOMG-UHFFFAOYSA-N 0 1 296.349 3.840 20 0 CHADMN CCCCN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000059391443 1120886695 /nfs/dbraw/zinc/88/66/95/1120886695.db2.gz VVVYBWJDAVDCDA-AWEZNQCLSA-N 0 1 253.773 3.513 20 0 CHADMN CC(C)c1nnc(CN(CCC2CC2)CC2CC2)s1 ZINC000662178057 1120890622 /nfs/dbraw/zinc/89/06/22/1120890622.db2.gz QLSHGDDJRQVOOD-UHFFFAOYSA-N 0 1 279.453 3.674 20 0 CHADMN CCCn1nccc1-c1nc2ccc(SC)cc2[nH]1 ZINC000663218345 1120892756 /nfs/dbraw/zinc/89/27/56/1120892756.db2.gz CQFMUIMIHVGHJQ-UHFFFAOYSA-N 0 1 272.377 3.558 20 0 CHADMN Cc1noc([C@@H](C)N2CCC[C@H](C3CCCCC3)C2)n1 ZINC000662201577 1120897476 /nfs/dbraw/zinc/89/74/76/1120897476.db2.gz NHBREHQFELWWSX-DOMZBBRYSA-N 0 1 277.412 3.731 20 0 CHADMN C[C@@H](N[C@H]1CCCc2n[nH]cc21)c1ccccc1Cl ZINC000336370045 1120897539 /nfs/dbraw/zinc/89/75/39/1120897539.db2.gz NPFRHZQVIFVHFM-YGRLFVJLSA-N 0 1 275.783 3.791 20 0 CHADMN CC1(C)C[C@]1(c1nc(C2(N)CCCC2)no1)c1ccccc1 ZINC000663251923 1120900464 /nfs/dbraw/zinc/90/04/64/1120900464.db2.gz YIHAMUHUWCCTEQ-GOSISDBHSA-N 0 1 297.402 3.514 20 0 CHADMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccc(C(F)F)cc1 ZINC000662226853 1120905628 /nfs/dbraw/zinc/90/56/28/1120905628.db2.gz VXEAHHUVQYMJDX-UHFFFAOYSA-N 0 1 285.334 3.557 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1csc(C2CC2)n1 ZINC000161640636 1120923717 /nfs/dbraw/zinc/92/37/17/1120923717.db2.gz YUQMTDOPPYYUHL-PHIMTYICSA-N 0 1 250.411 3.783 20 0 CHADMN CC(C)c1cccc(CN[C@@H]2CCCc3c[nH]nc32)c1 ZINC000663318407 1120924326 /nfs/dbraw/zinc/92/43/26/1120924326.db2.gz LXRVYAKADRPYOY-MRXNPFEDSA-N 0 1 269.392 3.700 20 0 CHADMN CC12CC(C1)CN2Cc1coc(-c2cccc(Cl)c2)n1 ZINC000662381532 1120932659 /nfs/dbraw/zinc/93/26/59/1120932659.db2.gz VMZMHLJRGHGKCZ-UHFFFAOYSA-N 0 1 288.778 3.979 20 0 CHADMN Cc1ccc(-c2nnc([C@@H](C)N3CC4CC3(C)C4)o2)cc1C ZINC000662382024 1120932950 /nfs/dbraw/zinc/93/29/50/1120932950.db2.gz CEMVHJHQSUNBRE-WRSVWVKZSA-N 0 1 297.402 3.899 20 0 CHADMN Cc1ccc(-c2nnc([C@@H](C)N3CC4CC3(C)C4)o2)cc1 ZINC000662380663 1120933156 /nfs/dbraw/zinc/93/31/56/1120933156.db2.gz JCAKIJSBCBSZEJ-SFYCDEOASA-N 0 1 283.375 3.590 20 0 CHADMN C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccnn2C2CCC2)C1 ZINC000893570523 1120933809 /nfs/dbraw/zinc/93/38/09/1120933809.db2.gz FNVIGJNEBNZFLI-KSSFIOAISA-N 0 1 296.418 3.586 20 0 CHADMN O=C(Nc1cccc(F)c1)c1c[nH]nc1-c1ccsc1 ZINC000186934250 1120940781 /nfs/dbraw/zinc/94/07/81/1120940781.db2.gz HHETZCHLKOFBID-UHFFFAOYSA-N 0 1 287.319 3.530 20 0 CHADMN CC(C)c1cccc(NC(=O)CN2CCCC[C@@H]2C)c1 ZINC000302918117 1120947912 /nfs/dbraw/zinc/94/79/12/1120947912.db2.gz TYTFYSLGQZFSCJ-AWEZNQCLSA-N 0 1 274.408 3.623 20 0 CHADMN Cc1ccc(C(C)(C)NCc2cc(O)cc(Cl)c2)cn1 ZINC000893583796 1120948513 /nfs/dbraw/zinc/94/85/13/1120948513.db2.gz JBXQKQBLEOKRAR-UHFFFAOYSA-N 0 1 290.794 3.774 20 0 CHADMN Cc1c(C(=O)Nc2cccc(Cl)c2O)ccn1C(C)C ZINC000343910876 1120958776 /nfs/dbraw/zinc/95/87/76/1120958776.db2.gz ATQLTTRKPVHMKL-UHFFFAOYSA-N 0 1 292.766 3.989 20 0 CHADMN COc1c(F)cccc1CN(C)Cc1cccc(C)c1 ZINC001143525787 1120959197 /nfs/dbraw/zinc/95/91/97/1120959197.db2.gz ZETFTRVJDPQERF-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN CCC1CCC([N@@H+](C)CCc2ccccc2C(=O)[O-])CC1 ZINC000228512818 1120961099 /nfs/dbraw/zinc/96/10/99/1120961099.db2.gz UNVMWMKUWYXUDV-UHFFFAOYSA-N 0 1 289.419 3.828 20 0 CHADMN C[N@H+](CCc1ccccc1C(=O)[O-])CCC1CCCCC1 ZINC000228516641 1120962064 /nfs/dbraw/zinc/96/20/64/1120962064.db2.gz QXSVJJRLQQEEIA-UHFFFAOYSA-N 0 1 289.419 3.830 20 0 CHADMN C[C@H](NCCOCCF)c1cc(F)c(Cl)cc1Cl ZINC000663462321 1120978294 /nfs/dbraw/zinc/97/82/94/1120978294.db2.gz AYUGRQQJNDUVTA-QMMMGPOBSA-N 0 1 298.160 3.769 20 0 CHADMN CCn1nccc1CN[C@H](C)c1cc2ccc(C)cc2o1 ZINC000663468130 1120983454 /nfs/dbraw/zinc/98/34/54/1120983454.db2.gz ASCGHPPMRUNWAU-CYBMUJFWSA-N 0 1 283.375 3.808 20 0 CHADMN Cc1cc(CNC(=O)[C@@H](CC2CCCCC2)C(C)C)n[nH]1 ZINC000604333010 1120989019 /nfs/dbraw/zinc/98/90/19/1120989019.db2.gz MPLJOUVRVUMGJC-INIZCTEOSA-N 0 1 291.439 3.577 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@@H](C)c1ccncc1 ZINC000178128848 1120991041 /nfs/dbraw/zinc/99/10/41/1120991041.db2.gz CZBLUPNKHNMOLP-QWHCGFSZSA-N 0 1 286.423 3.753 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN(CC(C)C)C1CC1 ZINC000055481792 1120993978 /nfs/dbraw/zinc/99/39/78/1120993978.db2.gz CEJRHQHDRYOUBK-UHFFFAOYSA-N 0 1 289.419 3.908 20 0 CHADMN Cc1nc([C@H](C)NC[C@H]2CCCCC2(F)F)cs1 ZINC000390866885 1121012243 /nfs/dbraw/zinc/01/22/43/1121012243.db2.gz NLGOYQOZCMSKDP-GXSJLCMTSA-N 0 1 274.380 3.928 20 0 CHADMN C[N@@H+](Cc1cccc(Cl)c1Cl)[C@@H]1CCCC[C@H]1O ZINC000300402638 1121018810 /nfs/dbraw/zinc/01/88/10/1121018810.db2.gz YYLLBAOUWJQYQF-CHWSQXEVSA-N 0 1 288.218 3.729 20 0 CHADMN CCOC(=O)Cc1ccc(Nc2cc(C)cc(C)n2)cc1 ZINC001212516529 1121019789 /nfs/dbraw/zinc/01/97/89/1121019789.db2.gz DVFFWPDVRVDFAS-UHFFFAOYSA-N 0 1 284.359 3.548 20 0 CHADMN Cc1cccc(NC(=O)CN(C)[C@@H](C)c2ccccc2)c1C ZINC000007018243 1121024629 /nfs/dbraw/zinc/02/46/29/1121024629.db2.gz XQQGLCUGXJZAQZ-INIZCTEOSA-N 0 1 296.414 3.935 20 0 CHADMN Cc1ccc(-c2noc(CN(C)C3CCCCC3)n2)cc1 ZINC000061757360 1121030761 /nfs/dbraw/zinc/03/07/61/1121030761.db2.gz KGUCFFSYHKVNET-UHFFFAOYSA-N 0 1 285.391 3.810 20 0 CHADMN CCCCC[C@H](CC)C(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001127683003 1128957526 /nfs/dbraw/zinc/95/75/26/1128957526.db2.gz HDPGXKMFOQTTQU-PMPSAXMXSA-N 0 1 282.472 3.534 20 0 CHADMN COc1ccc(F)cc1CN1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000625645771 1121043907 /nfs/dbraw/zinc/04/39/07/1121043907.db2.gz HZQSKNYFDOSCIN-QWRGUYRKSA-N 0 1 287.325 3.557 20 0 CHADMN C[C@H]1CN(Cc2ccccc2F)C[C@H](C)C1(F)F ZINC000625648847 1121045826 /nfs/dbraw/zinc/04/58/26/1121045826.db2.gz RYTBIONTTOGJHD-QWRGUYRKSA-N 0 1 257.299 3.549 20 0 CHADMN C[C@@H]1CN(CCc2cccc(F)c2F)C[C@@H](C)C1(F)F ZINC000625654806 1121046241 /nfs/dbraw/zinc/04/62/41/1121046241.db2.gz QYVWVHRQFBLMSE-GHMZBOCLSA-N 0 1 289.316 3.730 20 0 CHADMN CC[C@H](C)N(C)Cc1csc(-c2ccc(C)o2)n1 ZINC000068451164 1121054611 /nfs/dbraw/zinc/05/46/11/1121054611.db2.gz KBLYLBTWFXQHAM-JTQLQIEISA-N 0 1 264.394 3.942 20 0 CHADMN CC(C)CCO[C@@H]1CCN(Cc2cnc(C3CC3)s2)C1 ZINC000093476290 1128959896 /nfs/dbraw/zinc/95/98/96/1128959896.db2.gz ULFWEWFAVQPOCS-CQSZACIVSA-N 0 1 294.464 3.658 20 0 CHADMN COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2cccc(C)n2)c1 ZINC000344063076 1121069972 /nfs/dbraw/zinc/06/99/72/1121069972.db2.gz NWSXBERBNCUXFO-LIRRHRJNSA-N 0 1 296.414 3.982 20 0 CHADMN CC(C)c1nc(CN2CCC[C@@H](C3CC3)C2)cs1 ZINC000344076956 1121074355 /nfs/dbraw/zinc/07/43/55/1121074355.db2.gz WIJKLABINICZNK-CYBMUJFWSA-N 0 1 264.438 3.889 20 0 CHADMN O=c1cc(Nc2ccc3ccccc3c2)nc(Cl)[nH]1 ZINC001174873230 1121075081 /nfs/dbraw/zinc/07/50/81/1121075081.db2.gz ZSRQLDRMVACKQH-UHFFFAOYSA-N 0 1 271.707 3.732 20 0 CHADMN C[C@H](N[C@H]1COc2ccc(F)cc21)c1ccc2c(c1)COC2 ZINC000344111134 1121089194 /nfs/dbraw/zinc/08/91/94/1121089194.db2.gz TWBGUPRTCYAOOA-GTNSWQLSSA-N 0 1 299.345 3.640 20 0 CHADMN C[C@@H](NCc1cccnc1)c1ccc(Br)s1 ZINC000038002005 1121092415 /nfs/dbraw/zinc/09/24/15/1121092415.db2.gz SRWHIJZLHAQFNQ-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN CN(Cc1nc2cc(Cl)ccc2n1C)C[C@H]1CC1(C)C ZINC001174914610 1121092891 /nfs/dbraw/zinc/09/28/91/1121092891.db2.gz CPZRAZZUSHUXOV-LLVKDONJSA-N 0 1 291.826 3.705 20 0 CHADMN Oc1ccc(F)c(CN[C@H]2C[C@H]2C2CCCCC2)c1F ZINC000512116230 1121097024 /nfs/dbraw/zinc/09/70/24/1121097024.db2.gz NFULQJGNMBXLMI-FZMZJTMJSA-N 0 1 281.346 3.729 20 0 CHADMN CC[C@@H](C)Sc1ccc(NC(=O)[C@H](C)N(C)C)c(C)c1 ZINC000674246086 1121105100 /nfs/dbraw/zinc/10/51/00/1121105100.db2.gz CELSOKRJTWHCPA-OLZOCXBDSA-N 0 1 294.464 3.774 20 0 CHADMN CCCCCC[C@H](C)C(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001127684943 1128962743 /nfs/dbraw/zinc/96/27/43/1128962743.db2.gz YTPHRWXNRBAWSK-JYJNAYRXSA-N 0 1 282.472 3.534 20 0 CHADMN CCCCCC[C@H](C)C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC001127684943 1128962746 /nfs/dbraw/zinc/96/27/46/1128962746.db2.gz YTPHRWXNRBAWSK-JYJNAYRXSA-N 0 1 282.472 3.534 20 0 CHADMN CC(C)c1ncc(CN2CCC=C(c3ccncc3)C2)s1 ZINC000348837828 1121106854 /nfs/dbraw/zinc/10/68/54/1121106854.db2.gz KAGOFBISDHAAFH-UHFFFAOYSA-N 0 1 299.443 3.951 20 0 CHADMN CCc1nnc([C@@H](C)N2CC[C@@H](c3cc(C)cc(C)c3)C2)o1 ZINC000344166684 1121108670 /nfs/dbraw/zinc/10/86/70/1121108670.db2.gz NDUMVDJVABIUJT-HUUCEWRRSA-N 0 1 299.418 3.799 20 0 CHADMN CCn1cc(CNCc2c(C)oc3ccccc32)c(C)n1 ZINC000893641977 1121117645 /nfs/dbraw/zinc/11/76/45/1121117645.db2.gz MDQRKWGWQBHHMF-UHFFFAOYSA-N 0 1 283.375 3.556 20 0 CHADMN CC[C@@H](c1ccccc1)N1Cc2ccc(O)cc2C1 ZINC000625727335 1121119783 /nfs/dbraw/zinc/11/97/83/1121119783.db2.gz WVCSYPSGLAEVSX-KRWDZBQOSA-N 0 1 253.345 3.859 20 0 CHADMN CC[C@]1(C)CCN([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000344215006 1121122641 /nfs/dbraw/zinc/12/26/41/1121122641.db2.gz HOGZSHIPPWIZLQ-XHDPSFHLSA-N 0 1 291.420 3.981 20 0 CHADMN Cc1ccc(C)c(NC(=O)C[N@@H+]2CCCCC[C@@H]2C)c1 ZINC000512149662 1121123110 /nfs/dbraw/zinc/12/31/10/1121123110.db2.gz VOSCNDIOMWYVKZ-HNNXBMFYSA-N 0 1 274.408 3.506 20 0 CHADMN COc1c(C)cc(-n2c(N)nc3ccc(C)cc32)cc1C ZINC001174997116 1121124490 /nfs/dbraw/zinc/12/44/90/1121124490.db2.gz UWESUPIWAPCSAL-UHFFFAOYSA-N 0 1 281.359 3.542 20 0 CHADMN CCCCN(Cc1cncn1C)[C@H](C)c1ccc(C)o1 ZINC000674370009 1121124691 /nfs/dbraw/zinc/12/46/91/1121124691.db2.gz JFSOAGZAWDGWRT-CQSZACIVSA-N 0 1 275.396 3.685 20 0 CHADMN Fc1cc(Cl)cc(CN2CCC(c3cn[nH]c3)CC2)c1 ZINC000362513480 1121126349 /nfs/dbraw/zinc/12/63/49/1121126349.db2.gz VKJSRUYPENBQPU-UHFFFAOYSA-N 0 1 293.773 3.582 20 0 CHADMN CC[C@H](C)CN(C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000171949549 1121134964 /nfs/dbraw/zinc/13/49/64/1121134964.db2.gz IUKNLNKIHHNENF-NSHDSACASA-N 0 1 293.798 3.868 20 0 CHADMN Cc1cccc2nc(-c3ccc(-c4cc[nH]n4)o3)[nH]c21 ZINC000432503555 1121135145 /nfs/dbraw/zinc/13/51/45/1121135145.db2.gz SQQJODCSASTSSU-UHFFFAOYSA-N 0 1 264.288 3.521 20 0 CHADMN C[C@H]1CCCCCN1Cc1nc(-c2ccc(F)cc2)no1 ZINC000512170621 1121135426 /nfs/dbraw/zinc/13/54/26/1121135426.db2.gz LZTJAGMSULLVOO-LBPRGKRZSA-N 0 1 289.354 3.640 20 0 CHADMN Cc1ncn(C)c1Nc1cc(F)cc(C(F)(F)F)c1 ZINC001175062728 1121146155 /nfs/dbraw/zinc/14/61/55/1121146155.db2.gz OVVWDAZEVIYVBE-UHFFFAOYSA-N 0 1 273.233 3.630 20 0 CHADMN Cc1nc(CNC2CC(c3cccc(F)c3)C2)cs1 ZINC000041010534 1121150489 /nfs/dbraw/zinc/15/04/89/1121150489.db2.gz NRNBOZZMWXMXSQ-UHFFFAOYSA-N 0 1 276.380 3.626 20 0 CHADMN Nc1nc2ccccc2n1-c1ccc(F)cc1C(F)(F)F ZINC001175101459 1121166172 /nfs/dbraw/zinc/16/61/72/1121166172.db2.gz LFTSJFYKRWHPHW-UHFFFAOYSA-N 0 1 295.239 3.766 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3csc(-c4ccsc4)n3)C[C@@H]21 ZINC000172971709 1121167166 /nfs/dbraw/zinc/16/71/66/1121167166.db2.gz GHMBKKZURVSYDP-BETUJISGSA-N 0 1 290.457 3.959 20 0 CHADMN COc1cc(C)c(Nc2ccnn2-c2ccncc2)cc1C ZINC001175109930 1121168749 /nfs/dbraw/zinc/16/87/49/1121168749.db2.gz LNVRFGJPXFENEC-UHFFFAOYSA-N 0 1 294.358 3.636 20 0 CHADMN C[C@@H](CCc1ccco1)NCc1occc1Br ZINC000227364166 1121170508 /nfs/dbraw/zinc/17/05/08/1121170508.db2.gz BMUUZOFGKOTNFE-JTQLQIEISA-N 0 1 298.180 3.746 20 0 CHADMN O=C(C[C@H]1C=CCCC1)Nc1cccc(Cl)c1O ZINC000187330857 1121179777 /nfs/dbraw/zinc/17/97/77/1121179777.db2.gz HRNIFNWSQIKRNL-JTQLQIEISA-N 0 1 265.740 3.731 20 0 CHADMN CCOc1cccc(Nc2cc(OC)c(C)cn2)c1 ZINC001175092515 1121182249 /nfs/dbraw/zinc/18/22/49/1121182249.db2.gz VSDTYNCGGCVTCY-UHFFFAOYSA-N 0 1 258.321 3.541 20 0 CHADMN c1sc(-c2ccccc2)nc1CN1CC[C@H]2C[C@H]2C1 ZINC000661972502 1121184168 /nfs/dbraw/zinc/18/41/68/1121184168.db2.gz FOQSIFGUJYCHRX-KBPBESRZSA-N 0 1 270.401 3.652 20 0 CHADMN CCN(Cc1ccsc1)Cc1ccc(OC)cc1OC ZINC000351623989 1121190061 /nfs/dbraw/zinc/19/00/61/1121190061.db2.gz VJVYWGQYIFGYOJ-UHFFFAOYSA-N 0 1 291.416 3.787 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@H](C)c3cccs3)[nH]c2c1 ZINC000344479897 1121190073 /nfs/dbraw/zinc/19/00/73/1121190073.db2.gz DGBMLPOXZYHBBN-SNVBAGLBSA-N 0 1 285.372 3.675 20 0 CHADMN CCN[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000062797865 1121192333 /nfs/dbraw/zinc/19/23/33/1121192333.db2.gz JXJFAWUWBZFIMY-INIZCTEOSA-N 0 1 252.317 3.527 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1sccc1Cl ZINC000351640426 1121194818 /nfs/dbraw/zinc/19/48/18/1121194818.db2.gz HOZHWNUGKPHETP-UHFFFAOYSA-N 0 1 277.736 3.530 20 0 CHADMN C[C@@H]1CN(CCCOC(C)(C)C)[C@H](c2ccccc2)CO1 ZINC000674908800 1121197136 /nfs/dbraw/zinc/19/71/36/1121197136.db2.gz BXUYSNKHVQJRBX-WBVHZDCISA-N 0 1 291.435 3.654 20 0 CHADMN COC[C@@H](N[C@@H](C)c1ccsc1)c1cccc(OC)c1 ZINC000658165609 1121198025 /nfs/dbraw/zinc/19/80/25/1121198025.db2.gz SBDJAWVQFCFDDY-BLLLJJGKSA-N 0 1 291.416 3.795 20 0 CHADMN COC[C@@H](N[C@H](C)c1ccccc1)c1cccc(OC)c1 ZINC000658167988 1121199730 /nfs/dbraw/zinc/19/97/30/1121199730.db2.gz ZTSKLPHQBLJEKV-RDTXWAMCSA-N 0 1 285.387 3.734 20 0 CHADMN CCCn1nc(C)c(CN2CCC[C@H]2c2cccnc2)c1C ZINC000348932728 1121205399 /nfs/dbraw/zinc/20/53/99/1121205399.db2.gz GOXUTMILIXQYNW-SFHVURJKSA-N 0 1 298.434 3.642 20 0 CHADMN COc1ccc(CNCc2cc(C)cc(C)c2)c(F)c1 ZINC000675155528 1121226467 /nfs/dbraw/zinc/22/64/67/1121226467.db2.gz ZMYVGRMNYWQAIT-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000619134800 1128971441 /nfs/dbraw/zinc/97/14/41/1128971441.db2.gz CMPZTSZBNKUWMO-DGCLKSJQSA-N 0 1 285.391 3.522 20 0 CHADMN CC(C)(C)C(=O)CCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000753766815 1121235297 /nfs/dbraw/zinc/23/52/97/1121235297.db2.gz YLASBYJRLXKWGS-LBPRGKRZSA-N 0 1 295.373 3.759 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CC[C@H]2COC[C@@H]2C1 ZINC000662030119 1121236192 /nfs/dbraw/zinc/23/61/92/1121236192.db2.gz DBWRYDGZZZQPGR-WOPDTQHZSA-N 0 1 283.774 3.508 20 0 CHADMN CCOc1cccc(Nc2noc(C(C)(C)C)n2)c1F ZINC001175234170 1121236485 /nfs/dbraw/zinc/23/64/85/1121236485.db2.gz HCLHLDSOBXHHBC-UHFFFAOYSA-N 0 1 279.315 3.649 20 0 CHADMN C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)c1ccc2c(c1)OCO2 ZINC000261600021 1121240859 /nfs/dbraw/zinc/24/08/59/1121240859.db2.gz BIBIHGIDJVKBOE-XUJVJEKNSA-N 0 1 299.370 3.983 20 0 CHADMN Cc1nc(CN[C@H]2CCCc3ccccc32)sc1C ZINC000094965477 1121247736 /nfs/dbraw/zinc/24/77/36/1121247736.db2.gz CDTVSTDNNFCRRM-HNNXBMFYSA-N 0 1 272.417 3.927 20 0 CHADMN CCS[C@H]1CCCCN([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000112090163 1121250837 /nfs/dbraw/zinc/25/08/37/1121250837.db2.gz BURTXPXHEDGLLA-STQMWFEESA-N 0 1 297.468 3.862 20 0 CHADMN CSc1cccc(Nc2ccnn2-c2ccncc2)c1 ZINC001175288102 1121256270 /nfs/dbraw/zinc/25/62/70/1121256270.db2.gz JQDOPAFMTQCUSY-UHFFFAOYSA-N 0 1 282.372 3.733 20 0 CHADMN CC(C)=CCCNC(C)(C)c1cc(C(F)(F)F)on1 ZINC000660616107 1121270149 /nfs/dbraw/zinc/27/01/49/1121270149.db2.gz ZVUUJGQQLAEVND-UHFFFAOYSA-N 0 1 276.302 3.874 20 0 CHADMN O=C(Nc1ccc(F)c(F)c1)c1cc(-c2ccccc2)n[nH]1 ZINC000007774639 1121272084 /nfs/dbraw/zinc/27/20/84/1121272084.db2.gz QZWGLTLGUOCGQS-UHFFFAOYSA-N 0 1 299.280 3.607 20 0 CHADMN C[C@H](O)C[C@H]1CCCCN1Cc1c(F)cccc1Cl ZINC000123843342 1121274954 /nfs/dbraw/zinc/27/49/54/1121274954.db2.gz JGCKMTIHVXSTOL-NWDGAFQWSA-N 0 1 285.790 3.605 20 0 CHADMN CCS[C@H]1CC[C@@H](N(C)Cc2noc3c2CCCC3)C1 ZINC000174353226 1121281712 /nfs/dbraw/zinc/28/17/12/1121281712.db2.gz IWZQMZRNRODIKC-OLZOCXBDSA-N 0 1 294.464 3.659 20 0 CHADMN C[C@@H]1CCCCN1Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356065704 1121282550 /nfs/dbraw/zinc/28/25/50/1121282550.db2.gz OYKCUBGQBYAVMV-SNVBAGLBSA-N 0 1 273.298 3.785 20 0 CHADMN C[C@H](NC(=O)CN1CCCCC1)c1ccc2ccccc2c1 ZINC000007780731 1121288964 /nfs/dbraw/zinc/28/89/64/1121288964.db2.gz LPQACQOIEAKDMY-HNNXBMFYSA-N 0 1 296.414 3.503 20 0 CHADMN Cc1cccc2ncc(Nc3ccc(-n4cccn4)cc3)n21 ZINC001175369426 1121298875 /nfs/dbraw/zinc/29/88/75/1121298875.db2.gz DFTCWLIKGXMLTC-UHFFFAOYSA-N 0 1 289.342 3.572 20 0 CHADMN CC(C)N(C)Cc1ccc(F)c(Cl)c1Cl ZINC000432741307 1121309382 /nfs/dbraw/zinc/30/93/82/1121309382.db2.gz GFGFLMMHYWOWCJ-UHFFFAOYSA-N 0 1 250.144 3.973 20 0 CHADMN CC(C)N1CCN(Cc2csc(Cl)c2Cl)CC1 ZINC000432743943 1121311533 /nfs/dbraw/zinc/31/15/33/1121311533.db2.gz BPKGYFHMJSHVTL-UHFFFAOYSA-N 0 1 293.263 3.581 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)N1CCO[C@@H](C)C1 ZINC000500576251 1121313220 /nfs/dbraw/zinc/31/32/20/1121313220.db2.gz SWDRKWOZSNHBOZ-UONOGXRCSA-N 0 1 261.409 3.766 20 0 CHADMN COC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000432748586 1121319439 /nfs/dbraw/zinc/31/94/39/1121319439.db2.gz PZSMABFIDMSULQ-SNVBAGLBSA-N 0 1 293.354 3.625 20 0 CHADMN C[C@@H]1COCCN1Cc1cccc(-c2ccccc2)c1 ZINC000446908716 1121322113 /nfs/dbraw/zinc/32/21/13/1121322113.db2.gz PYDNADZEYUDBDT-OAHLLOKOSA-N 0 1 267.372 3.574 20 0 CHADMN COCc1ccc(CN[C@H](C)c2ccc(Cl)cc2)o1 ZINC000125039872 1121336958 /nfs/dbraw/zinc/33/69/58/1121336958.db2.gz YQAZNMUQQLRJHR-LLVKDONJSA-N 0 1 279.767 3.930 20 0 CHADMN COCc1ccc(CN[C@H](c2ccccc2)C(C)C)o1 ZINC000125235801 1121345609 /nfs/dbraw/zinc/34/56/09/1121345609.db2.gz CBYKQJGEVDYGCQ-KRWDZBQOSA-N 0 1 273.376 3.913 20 0 CHADMN CC(C)Oc1ncccc1CN[C@H]1c2ccccc2C[C@H]1C ZINC000675750713 1121349882 /nfs/dbraw/zinc/34/98/82/1121349882.db2.gz QCCJVIMPBMCXGS-RDTXWAMCSA-N 0 1 296.414 3.892 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN[C@H](C)c1ccsc1 ZINC000675727049 1121350195 /nfs/dbraw/zinc/35/01/95/1121350195.db2.gz JQIYYFHKDSBLIC-CYBMUJFWSA-N 0 1 288.416 3.654 20 0 CHADMN CC(C)c1cc(N=C2CCN(Cc3ccccc3)CC2)on1 ZINC001175504910 1121351825 /nfs/dbraw/zinc/35/18/25/1121351825.db2.gz GLSODRBMUSAXRA-UHFFFAOYSA-N 0 1 297.402 4.000 20 0 CHADMN CCc1nc2c(s1)[C@@H](NCc1ccoc1C)CCC2 ZINC000675778917 1121354847 /nfs/dbraw/zinc/35/48/47/1121354847.db2.gz BDTOULWRBSSVNC-LBPRGKRZSA-N 0 1 276.405 3.774 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cc2c[nH]nc2c(C)c1 ZINC001175518130 1121359620 /nfs/dbraw/zinc/35/96/20/1121359620.db2.gz YWMAVTUTDYGEQF-UHFFFAOYSA-N 0 1 295.321 3.710 20 0 CHADMN C[C@H](N[C@@H]1CSCc2ccccc21)c1ccoc1 ZINC000675783090 1121361573 /nfs/dbraw/zinc/36/15/73/1121361573.db2.gz SVKAXVLVMJUXSC-XHDPSFHLSA-N 0 1 259.374 3.918 20 0 CHADMN CNc1ccnc(Cl)c1Nc1c2cn[nH]c2ccc1C ZINC001175524261 1121362832 /nfs/dbraw/zinc/36/28/32/1121362832.db2.gz AKLPUDQTCOJBNS-UHFFFAOYSA-N 0 1 287.754 3.705 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@@H](C)c1ccc(F)cc1 ZINC000675807953 1121363848 /nfs/dbraw/zinc/36/38/48/1121363848.db2.gz IBVYBFYFXPPLMA-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN COc1ccc(Cl)c(Nc2c3cn[nH]c3ccc2C)n1 ZINC001175523021 1121364186 /nfs/dbraw/zinc/36/41/86/1121364186.db2.gz CXPXMFXMZDNRKL-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1cc2c(cccc2Nc2c3cn[nH]c3ccc2C)nn1 ZINC001175525919 1121364900 /nfs/dbraw/zinc/36/49/00/1121364900.db2.gz JZNCRAAOZBQMEU-UHFFFAOYSA-N 0 1 289.342 3.867 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1csc2nccnc12 ZINC001175524881 1121365392 /nfs/dbraw/zinc/36/53/92/1121365392.db2.gz ZLESELYNDQTGJS-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1cnc(C)nc1C)c1ccccn1 ZINC000675815372 1121366357 /nfs/dbraw/zinc/36/63/57/1121366357.db2.gz BGMDPZQDGNLQLE-SUMWQHHRSA-N 0 1 284.407 3.680 20 0 CHADMN COC(=O)c1ccc(Nc2c3cn[nH]c3ccc2C)c(C)c1 ZINC001175525922 1121366657 /nfs/dbraw/zinc/36/66/57/1121366657.db2.gz KKEJCJXIWFGVGR-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN CCN(c1ccccc1N)c1c2cn[nH]c2ccc1C ZINC001175526366 1121367173 /nfs/dbraw/zinc/36/71/73/1121367173.db2.gz MWLZLRIHIJCAKZ-UHFFFAOYSA-N 0 1 266.348 3.612 20 0 CHADMN CC(=O)Nc1cc(Nc2c3cn[nH]c3ccc2C)ccc1C ZINC001175526586 1121368850 /nfs/dbraw/zinc/36/88/50/1121368850.db2.gz TYRGBIJBGTYROK-UHFFFAOYSA-N 0 1 294.358 3.882 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1c(C)cccc1O ZINC001175526877 1121369217 /nfs/dbraw/zinc/36/92/17/1121369217.db2.gz YPOHYEIBAWVLNH-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2c(cnn2C)c1 ZINC001175526270 1121369436 /nfs/dbraw/zinc/36/94/36/1121369436.db2.gz QUVVFBYVRBVLFF-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN COC(=O)c1ccc(Nc2c3cn[nH]c3ccc2C)cc1F ZINC001175526712 1121369723 /nfs/dbraw/zinc/36/97/23/1121369723.db2.gz PWRAASGJEFKJSH-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2nnsc21 ZINC001175527217 1121370433 /nfs/dbraw/zinc/37/04/33/1121370433.db2.gz HULWDQAVKVYPKH-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1cc(F)c(Nc2c3cn[nH]c3ccc2C)cc1O ZINC001175527832 1121371069 /nfs/dbraw/zinc/37/10/69/1121371069.db2.gz XXKDIOFWWHMPJA-UHFFFAOYSA-N 0 1 271.295 3.768 20 0 CHADMN COc1cccc(C(C)=O)c1Nc1c2cn[nH]c2ccc1C ZINC001175527786 1121371785 /nfs/dbraw/zinc/37/17/85/1121371785.db2.gz VRDGOAVHNDVUAH-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN CC[C@@H](NCc1cc(C)n[nH]1)c1ccc(OC(F)F)cc1 ZINC000675893530 1121375915 /nfs/dbraw/zinc/37/59/15/1121375915.db2.gz NZHPSCPREOADJA-CQSZACIVSA-N 0 1 295.333 3.560 20 0 CHADMN CCc1nnc(NC=Cc2ccc(Cl)cc2)s1 ZINC001175595074 1121378208 /nfs/dbraw/zinc/37/82/08/1121378208.db2.gz WKXLKRCTDKRNBT-BQYQJAHWSA-N 0 1 265.769 3.837 20 0 CHADMN CC1(CN(Cc2cc[nH]n2)Cc2ccccc2)CCC1 ZINC000432814621 1121378589 /nfs/dbraw/zinc/37/85/89/1121378589.db2.gz WLAJHASVCGVTFG-UHFFFAOYSA-N 0 1 269.392 3.602 20 0 CHADMN C[C@@H](N[C@H](Cc1nccn1C)c1ccccc1)c1ccco1 ZINC000675920308 1121381360 /nfs/dbraw/zinc/38/13/60/1121381360.db2.gz JZFIKXROHMYBPW-GDBMZVCRSA-N 0 1 295.386 3.648 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2CC(=O)c2ccccc2)cn1 ZINC000439885994 1121384486 /nfs/dbraw/zinc/38/44/86/1121384486.db2.gz DVCLEKRNDNLUHD-GOSISDBHSA-N 0 1 294.398 3.627 20 0 CHADMN CCc1cccc(Nc2ccccc2N2CCN(C)CC2)c1 ZINC001175553415 1121384520 /nfs/dbraw/zinc/38/45/20/1121384520.db2.gz LZGKXHAEUJPZIA-UHFFFAOYSA-N 0 1 295.430 3.744 20 0 CHADMN CCCC[C@H](C)[C@@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000675906008 1121387223 /nfs/dbraw/zinc/38/72/23/1121387223.db2.gz QIXYCQXCQJRKHV-UONOGXRCSA-N 0 1 272.396 3.894 20 0 CHADMN C[C@@H](N[C@H]1CCCC1(C)C)c1noc(-c2ccccc2)n1 ZINC000675937231 1121389134 /nfs/dbraw/zinc/38/91/34/1121389134.db2.gz UGBYGKYIWRQVIF-OCCSQVGLSA-N 0 1 285.391 3.966 20 0 CHADMN Cc1c(-c2ccccc2)nsc1NC1=CCCN(C)C1 ZINC001175577425 1121397048 /nfs/dbraw/zinc/39/70/48/1121397048.db2.gz SEVVTGDIWLOSIW-UHFFFAOYSA-N 0 1 285.416 3.750 20 0 CHADMN Oc1cccc2c1CC[C@@H]2NCc1ccc(C(F)F)nc1 ZINC000631065550 1128982666 /nfs/dbraw/zinc/98/26/66/1128982666.db2.gz XCKRPQDUEWWVTE-ZDUSSCGKSA-N 0 1 290.313 3.502 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cccc(O)c2)c(F)c1 ZINC000631066186 1128982745 /nfs/dbraw/zinc/98/27/45/1128982745.db2.gz ZVRQNULHFXMJFS-LBPRGKRZSA-N 0 1 259.324 3.691 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1Cc1nc2ccccc2c(=O)[nH]1 ZINC000676041664 1121399338 /nfs/dbraw/zinc/39/93/38/1121399338.db2.gz KXEPQNKPHHOIFD-BBRMVZONSA-N 0 1 299.418 3.736 20 0 CHADMN CCCCC[C@@H]1CCCN1C(=O)c1cc(CCC)[nH]n1 ZINC000676064979 1121403118 /nfs/dbraw/zinc/40/31/18/1121403118.db2.gz QLXLJTBHVOXTOX-CQSZACIVSA-N 0 1 277.412 3.547 20 0 CHADMN C[C@H](NCc1ccc(F)cc1)c1cc2cnccc2o1 ZINC001175638155 1121404298 /nfs/dbraw/zinc/40/42/98/1121404298.db2.gz IGTOVJBZFYNPBA-NSHDSACASA-N 0 1 270.307 3.818 20 0 CHADMN CCC1CCC(N(C)Cc2c(C)nn(C)c2Cl)CC1 ZINC000049024091 1121411953 /nfs/dbraw/zinc/41/19/53/1121411953.db2.gz XGGTWXBHEMEGCL-UHFFFAOYSA-N 0 1 283.847 3.783 20 0 CHADMN CC(=O)c1sccc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175693691 1121414674 /nfs/dbraw/zinc/41/46/74/1121414674.db2.gz HQTQCISTZGTAOL-UHFFFAOYSA-N 0 1 271.345 3.879 20 0 CHADMN CC(C)(C)C1CCN(Cc2cn3ccccc3n2)CC1 ZINC000512531734 1121415929 /nfs/dbraw/zinc/41/59/29/1121415929.db2.gz ICXGLQZSVXPHQC-UHFFFAOYSA-N 0 1 271.408 3.592 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc(C4CC4)n3)cc21 ZINC001175698644 1121416481 /nfs/dbraw/zinc/41/64/81/1121416481.db2.gz CYXBMLLDSZAMBM-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4nn(C)cc4c3)cc12 ZINC001175699144 1121416731 /nfs/dbraw/zinc/41/67/31/1121416731.db2.gz JGCMGDJHJNNQIH-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ncccc3N3CCCC3)cc21 ZINC001175698866 1121416784 /nfs/dbraw/zinc/41/67/84/1121416784.db2.gz IMTUHLIKKWWVLR-UHFFFAOYSA-N 0 1 293.374 3.610 20 0 CHADMN CCc1nccc(C)c1Nc1ccc2n[nH]c(C)c2c1 ZINC001175698663 1121416924 /nfs/dbraw/zinc/41/69/24/1121416924.db2.gz DZSVWTPYZKSNKK-UHFFFAOYSA-N 0 1 266.348 3.881 20 0 CHADMN COc1ccc(Nc2ccc3n[nH]c(C)c3c2)c(C)c1 ZINC001175698688 1121416966 /nfs/dbraw/zinc/41/69/66/1121416966.db2.gz BAISQAAEUXZZLI-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(F)cc(F)c3)cc12 ZINC001175699845 1121417668 /nfs/dbraw/zinc/41/76/68/1121417668.db2.gz UABCKUYIOQNJGE-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4c3cc[nH]c4=O)cc12 ZINC001175700221 1121418203 /nfs/dbraw/zinc/41/82/03/1121418203.db2.gz HJQLHHCTNSJLPL-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN COc1cccc(F)c1Nc1ccc2n[nH]c(C)c2c1 ZINC001175700729 1121419579 /nfs/dbraw/zinc/41/95/79/1121419579.db2.gz UNXLHMLAGOECGZ-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccnc(Cl)c3C)ccc12 ZINC001175657089 1121421838 /nfs/dbraw/zinc/42/18/38/1121421838.db2.gz OTSAOCFPIJCIAX-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN COc1cc(Cl)cnc1Nc1ccc2c(C)[nH]nc2c1 ZINC001175659778 1121424985 /nfs/dbraw/zinc/42/49/85/1121424985.db2.gz IIFXSKCDVAJIAF-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN COc1cc(Nc2ccc3c(C)[nH]nc3c2)cnc1Cl ZINC001175660917 1121425149 /nfs/dbraw/zinc/42/51/49/1121425149.db2.gz YXYOKPSLKYSJCF-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(-c4nnco4)cc3)ccc12 ZINC001175662370 1121426270 /nfs/dbraw/zinc/42/62/70/1121426270.db2.gz JHANXIWFKFMUOT-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4cnn(C)c43)ccc12 ZINC001175662262 1121426504 /nfs/dbraw/zinc/42/65/04/1121426504.db2.gz BYGAFHKDWXBPAR-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN COc1ccc(Nc2ccc3c(c2)n[nH]c3C)cc1C ZINC001175662870 1121427269 /nfs/dbraw/zinc/42/72/69/1121427269.db2.gz HOVQFORIKPNGET-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(CO)ccc3Cl)ccc12 ZINC001175663121 1121427473 /nfs/dbraw/zinc/42/74/73/1121427473.db2.gz URWJWDBSARJECZ-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN CC1CCN(Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001143539028 1121427696 /nfs/dbraw/zinc/42/76/96/1121427696.db2.gz YCQGMRPHBPXRRR-UHFFFAOYSA-N 0 1 291.288 3.956 20 0 CHADMN CC(=O)c1cccc(O)c1Nc1ccc2c(C)[nH]nc2c1 ZINC001175663284 1121428221 /nfs/dbraw/zinc/42/82/21/1121428221.db2.gz XBTTZVYBDCQSFG-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4c(c3)[C@H](O)CC4)cc12 ZINC001175703221 1121432540 /nfs/dbraw/zinc/43/25/40/1121432540.db2.gz YRUTYOSTICWZON-QGZVFWFLSA-N 0 1 279.343 3.595 20 0 CHADMN O=c1ccc2c([nH]1)CCC[C@@H]2NCc1cscc1Cl ZINC000676415699 1121433443 /nfs/dbraw/zinc/43/34/43/1121433443.db2.gz HEGVCQFOYRDKAT-LBPRGKRZSA-N 0 1 294.807 3.669 20 0 CHADMN CCc1nc(CCN[C@@H](C)c2nc(C)sc2C)cs1 ZINC000676490744 1121435751 /nfs/dbraw/zinc/43/57/51/1121435751.db2.gz STHRAIKLUFLRGC-VIFPVBQESA-N 0 1 295.477 3.672 20 0 CHADMN C[C@H]1CN(Cc2ccc3oc(=O)oc3c2)Cc2ccccc21 ZINC000893904577 1121435973 /nfs/dbraw/zinc/43/59/73/1121435973.db2.gz AYHOTJLXQJRAEU-LBPRGKRZSA-N 0 1 295.338 3.505 20 0 CHADMN Cc1[nH]nc(CN(C)[C@@H](C)c2ccccc2Cl)c1C ZINC000893931869 1121442672 /nfs/dbraw/zinc/44/26/72/1121442672.db2.gz UJYVYZPVTAGFBV-LBPRGKRZSA-N 0 1 277.799 3.873 20 0 CHADMN Cc1occc1CN[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000631190395 1128990422 /nfs/dbraw/zinc/99/04/22/1128990422.db2.gz JOIXFXOPGZXDQO-HNNXBMFYSA-N 0 1 297.757 3.594 20 0 CHADMN c1cnc(OC2CCOCC2)c(N=C2CCCCC2)c1 ZINC001175752711 1121447990 /nfs/dbraw/zinc/44/79/90/1121447990.db2.gz OMEVKHZFZXZHKL-UHFFFAOYSA-N 0 1 274.364 3.509 20 0 CHADMN CCn1ccc(CN(C)Cc2c(C)nn(C(C)C)c2C)c1 ZINC000893980566 1121449503 /nfs/dbraw/zinc/44/95/03/1121449503.db2.gz KLNLNGGVURDTAG-UHFFFAOYSA-N 0 1 288.439 3.534 20 0 CHADMN CC(C)(F)CNCc1c(Cl)ccc2cccnc21 ZINC000631189427 1128990154 /nfs/dbraw/zinc/99/01/54/1128990154.db2.gz PLOZIWYZBPTVMK-UHFFFAOYSA-N 0 1 266.747 3.726 20 0 CHADMN Cc1[nH]nc(CN(C)[C@H](c2ccccc2)C(F)(F)F)c1C ZINC000894003111 1121454390 /nfs/dbraw/zinc/45/43/90/1121454390.db2.gz VAAQONIHJSGNFL-CQSZACIVSA-N 0 1 297.324 3.762 20 0 CHADMN CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000312378659 1121456100 /nfs/dbraw/zinc/45/61/00/1121456100.db2.gz LZFMJJMWXODJNH-VXGBXAGGSA-N 0 1 279.355 3.534 20 0 CHADMN Fc1ccc(C[C@@H]2CCCCN2Cc2nccs2)cc1 ZINC000676715401 1121458808 /nfs/dbraw/zinc/45/88/08/1121458808.db2.gz VZUJUBKASORILW-HNNXBMFYSA-N 0 1 290.407 3.879 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2csc(C)c2C)n[nH]1 ZINC000631121877 1128985964 /nfs/dbraw/zinc/98/59/64/1128985964.db2.gz UFUKACBJQOZNBL-ONGXEEELSA-N 0 1 292.452 3.847 20 0 CHADMN C[C@@H]1CN(Cc2ccc3oc(=O)oc3c2)[C@@H]1c1ccccc1 ZINC000894085989 1121466075 /nfs/dbraw/zinc/46/60/75/1121466075.db2.gz XQPIOMXWWDDYGR-PXAZEXFGSA-N 0 1 295.338 3.579 20 0 CHADMN Fc1ccc(OC(F)(F)F)cc1CN1CCC[C@H]2C[C@H]21 ZINC001143551440 1121466389 /nfs/dbraw/zinc/46/63/89/1121466389.db2.gz YKKBUEHDRIKHOG-TVQRCGJNSA-N 0 1 289.272 3.709 20 0 CHADMN Cc1ncoc1CN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000894076243 1121466775 /nfs/dbraw/zinc/46/67/75/1121466775.db2.gz PUXHINFQISCHEV-WCQYABFASA-N 0 1 260.337 3.549 20 0 CHADMN Cc1ccc([C@H](C)CNCc2nnc(C3CC3)s2)cc1 ZINC000628312607 1121467812 /nfs/dbraw/zinc/46/78/12/1121467812.db2.gz IMEOQZZBAMUOCM-GFCCVEGCSA-N 0 1 287.432 3.617 20 0 CHADMN C[C@@H](C1CCCCC1)[N@@H+](C)Cc1nccn1C1CC1 ZINC000894080118 1121468464 /nfs/dbraw/zinc/46/84/64/1121468464.db2.gz WAXFRJLVRALDLM-ZDUSSCGKSA-N 0 1 261.413 3.619 20 0 CHADMN C[C@@H](C1CCCCC1)N(C)Cc1nccn1C1CC1 ZINC000894080118 1121468468 /nfs/dbraw/zinc/46/84/68/1121468468.db2.gz WAXFRJLVRALDLM-ZDUSSCGKSA-N 0 1 261.413 3.619 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cc(O)cc(F)c2)c1 ZINC000432888666 1121469590 /nfs/dbraw/zinc/46/95/90/1121469590.db2.gz DRKCCHIGMGFXNC-UHFFFAOYSA-N 0 1 273.351 3.780 20 0 CHADMN C[C@H](C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])CC(C)(C)C ZINC000709280542 1121470817 /nfs/dbraw/zinc/47/08/17/1121470817.db2.gz KAXQHOKXZVAYIL-XQLPTFJDSA-N 0 1 281.440 3.776 20 0 CHADMN Cc1ncn(-c2ccccc2Oc2ccccc2)c1N ZINC001175839838 1121470930 /nfs/dbraw/zinc/47/09/30/1121470930.db2.gz ZYCPCGWVQXIDOY-UHFFFAOYSA-N 0 1 265.316 3.555 20 0 CHADMN Clc1scc(CN2CCOCC3(CC3)C2)c1Cl ZINC000432914109 1121476797 /nfs/dbraw/zinc/47/67/97/1121476797.db2.gz CGPCATDFRCQIPP-UHFFFAOYSA-N 0 1 292.231 3.667 20 0 CHADMN CC[C@]1(CO)CCCN1Cc1ccc(C(F)(F)F)s1 ZINC000432921518 1121480871 /nfs/dbraw/zinc/48/08/71/1121480871.db2.gz CTWFSCYAPOQFRC-GFCCVEGCSA-N 0 1 293.354 3.504 20 0 CHADMN CC(C)(NCCCCCF)c1cc(C(F)(F)F)on1 ZINC000429258678 1121484573 /nfs/dbraw/zinc/48/45/73/1121484573.db2.gz IETDBXLCWSLTRL-UHFFFAOYSA-N 0 1 282.281 3.658 20 0 CHADMN C[C@@H]1CCN(Cc2csc(-c3ccccn3)n2)C[C@H]1C ZINC000245875017 1121484778 /nfs/dbraw/zinc/48/47/78/1121484778.db2.gz HIKUQNMCLDNNPK-CHWSQXEVSA-N 0 1 287.432 3.683 20 0 CHADMN CC(C)(C)C[C@@H]1CCCN1Cc1nnc(C(C)(C)C)[nH]1 ZINC000432937547 1121488485 /nfs/dbraw/zinc/48/84/85/1121488485.db2.gz HWVLBZRBTGDIIN-LBPRGKRZSA-N 0 1 278.444 3.503 20 0 CHADMN c1cc(Oc2ccccc2)oc1CNC[C@@H]1CCC=CO1 ZINC000780565636 1121489180 /nfs/dbraw/zinc/48/91/80/1121489180.db2.gz DWCKHCTWJBYCFA-HNNXBMFYSA-N 0 1 285.343 3.854 20 0 CHADMN FC1(F)CCC[N@@H+](Cc2ccccc2Cl)CC1 ZINC000625766621 1121490645 /nfs/dbraw/zinc/49/06/45/1121490645.db2.gz SQWKDXPFWKSSKR-UHFFFAOYSA-N 0 1 259.727 3.961 20 0 CHADMN FC1(F)CCCN(Cc2ccccc2Cl)CC1 ZINC000625766621 1121490647 /nfs/dbraw/zinc/49/06/47/1121490647.db2.gz SQWKDXPFWKSSKR-UHFFFAOYSA-N 0 1 259.727 3.961 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccc2scnc2c1 ZINC001175910776 1121495860 /nfs/dbraw/zinc/49/58/60/1121495860.db2.gz DGPZFJLMVOOVOL-UHFFFAOYSA-N 0 1 280.356 3.526 20 0 CHADMN Cc1cc(Nc2cc(C)c(N)c(C)c2)n(-c2ccncc2)n1 ZINC001175931251 1121499487 /nfs/dbraw/zinc/49/94/87/1121499487.db2.gz ANBXYCNTNSLHLQ-UHFFFAOYSA-N 0 1 293.374 3.518 20 0 CHADMN CCc1onc(C)c1CNCc1ccc(Cl)c(C)c1 ZINC000922984221 1121503043 /nfs/dbraw/zinc/50/30/43/1121503043.db2.gz XAWBEOGJAHKWAS-UHFFFAOYSA-N 0 1 278.783 3.797 20 0 CHADMN CCc1onc(C)c1CNCc1cccc(C(C)C)c1 ZINC000922981798 1121505184 /nfs/dbraw/zinc/50/51/84/1121505184.db2.gz KQZPCGVCBASJEZ-UHFFFAOYSA-N 0 1 272.392 3.959 20 0 CHADMN CCc1onc(C)c1CNCc1ccc(C(F)(F)F)cc1 ZINC000922989054 1121506384 /nfs/dbraw/zinc/50/63/84/1121506384.db2.gz XAYDVXYPOUXHJU-UHFFFAOYSA-N 0 1 298.308 3.854 20 0 CHADMN N#Cc1ccc(F)c(CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000192355166 1128988925 /nfs/dbraw/zinc/98/89/25/1128988925.db2.gz HMRJPVACCLNXNO-QGZVFWFLSA-N 0 1 296.345 3.570 20 0 CHADMN CCCc1nc(CN[C@@H]2C[C@@H](OC)C2(CC)CC)cs1 ZINC000429291748 1121511103 /nfs/dbraw/zinc/51/11/03/1121511103.db2.gz JBLZNBPVWNDMRX-ZIAGYGMSSA-N 0 1 296.480 3.779 20 0 CHADMN C[C@]1(NCc2cc(F)cc(F)c2)CCOc2ccccc21 ZINC000923024277 1121513697 /nfs/dbraw/zinc/51/36/97/1121513697.db2.gz HNHHUNFVSPYIPO-KRWDZBQOSA-N 0 1 289.325 3.752 20 0 CHADMN C[C@@]1(NCc2cc(F)cc(F)c2)CCOc2ccccc21 ZINC000923024280 1121513918 /nfs/dbraw/zinc/51/39/18/1121513918.db2.gz HNHHUNFVSPYIPO-QGZVFWFLSA-N 0 1 289.325 3.752 20 0 CHADMN Cc1c(Cl)cccc1N1N=C2CCCCC[C@H]2C1=O ZINC000614188999 1121514100 /nfs/dbraw/zinc/51/41/00/1121514100.db2.gz IMXISIVCXOAEMX-LLVKDONJSA-N 0 1 276.767 3.931 20 0 CHADMN Cc1c(Cl)cccc1-n1[nH]c2c(c1=O)CCCCC2 ZINC000614188999 1121514105 /nfs/dbraw/zinc/51/41/05/1121514105.db2.gz IMXISIVCXOAEMX-LLVKDONJSA-N 0 1 276.767 3.931 20 0 CHADMN Cc1occc1CN[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000631190550 1128990739 /nfs/dbraw/zinc/99/07/39/1128990739.db2.gz JOIXFXOPGZXDQO-OAHLLOKOSA-N 0 1 297.757 3.594 20 0 CHADMN Cc1c(Cl)cccc1-n1[nH]c(-c2ccccc2)cc1=O ZINC000614190075 1121519328 /nfs/dbraw/zinc/51/93/28/1121519328.db2.gz RLAWOUUQKMHLDC-UHFFFAOYSA-N 0 1 284.746 3.789 20 0 CHADMN Fc1cc(Nc2ccc3nn[nH]c3c2)c(Cl)nc1Cl ZINC001175999083 1121519416 /nfs/dbraw/zinc/51/94/16/1121519416.db2.gz KQTAIZDVGVTPLI-UHFFFAOYSA-N 0 1 298.108 3.542 20 0 CHADMN Fc1cc(Nc2ccc3n[nH]nc3c2)c(Cl)nc1Cl ZINC001175999083 1121519425 /nfs/dbraw/zinc/51/94/25/1121519425.db2.gz KQTAIZDVGVTPLI-UHFFFAOYSA-N 0 1 298.108 3.542 20 0 CHADMN Cc1cccc2c1CC[C@H]2N[C@@H](C)c1cn2c(n1)CCCC2 ZINC000925370442 1121520311 /nfs/dbraw/zinc/52/03/11/1121520311.db2.gz LXZDJQCGARZFHK-WMLDXEAASA-N 0 1 295.430 3.866 20 0 CHADMN Cc1ccc(OC(C)C)cc1Nc1ccc2nn[nH]c2c1 ZINC001176005233 1121521366 /nfs/dbraw/zinc/52/13/66/1121521366.db2.gz VDBIMHAAPVJDNE-UHFFFAOYSA-N 0 1 282.347 3.797 20 0 CHADMN Cc1ccc(OC(C)C)cc1Nc1ccc2n[nH]nc2c1 ZINC001176005233 1121521370 /nfs/dbraw/zinc/52/13/70/1121521370.db2.gz VDBIMHAAPVJDNE-UHFFFAOYSA-N 0 1 282.347 3.797 20 0 CHADMN Cc1ccc(C)c(CN(C)[C@@H](C)C(=O)Nc2ccccc2)c1 ZINC000429310203 1121521519 /nfs/dbraw/zinc/52/15/19/1121521519.db2.gz OQEVWYQZLUNSNR-INIZCTEOSA-N 0 1 296.414 3.762 20 0 CHADMN Nc1cc(Cl)c(Cl)cc1Nc1ccc2nn[nH]c2c1 ZINC001176005472 1121521572 /nfs/dbraw/zinc/52/15/72/1121521572.db2.gz ZOECWOPKXRYWLG-UHFFFAOYSA-N 0 1 294.145 3.591 20 0 CHADMN Nc1cc(Cl)c(Cl)cc1Nc1ccc2n[nH]nc2c1 ZINC001176005472 1121521578 /nfs/dbraw/zinc/52/15/78/1121521578.db2.gz ZOECWOPKXRYWLG-UHFFFAOYSA-N 0 1 294.145 3.591 20 0 CHADMN Cc1ccnc2c(Nc3ccc4nn[nH]c4c3)cccc12 ZINC001176004414 1121522140 /nfs/dbraw/zinc/52/21/40/1121522140.db2.gz MINZJVLOORFOGK-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1ccnc2c(Nc3ccc4n[nH]nc4c3)cccc12 ZINC001176004414 1121522144 /nfs/dbraw/zinc/52/21/44/1121522144.db2.gz MINZJVLOORFOGK-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Fc1cc(Cl)cc(F)c1Nc1ccc2nn[nH]c2c1 ZINC001176003761 1121522751 /nfs/dbraw/zinc/52/27/51/1121522751.db2.gz HNJPHEPQUOJURA-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN Fc1cc(Cl)cc(F)c1Nc1ccc2n[nH]nc2c1 ZINC001176003761 1121522758 /nfs/dbraw/zinc/52/27/58/1121522758.db2.gz HNJPHEPQUOJURA-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN COCc1nc(CN(C)C2CCC(C(C)C)CC2)cs1 ZINC000433026636 1121525738 /nfs/dbraw/zinc/52/57/38/1121525738.db2.gz GWOQCJQJKUQMGW-UHFFFAOYSA-N 0 1 296.480 3.936 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(-c2ccccn2)cc1 ZINC001176039095 1121529527 /nfs/dbraw/zinc/52/95/27/1121529527.db2.gz IMBHZRIXPSNHKR-UHFFFAOYSA-N 0 1 264.332 3.534 20 0 CHADMN CC[C@@](C)(NCc1ccncc1F)c1ccc(F)cc1 ZINC000631194831 1128991646 /nfs/dbraw/zinc/99/16/46/1128991646.db2.gz PZGORPBLLZFLDB-MRXNPFEDSA-N 0 1 276.330 3.775 20 0 CHADMN Cc1nc([C@@H]2CCCN2Cc2c(C)cccc2C)[nH]c1C ZINC001176077852 1121532047 /nfs/dbraw/zinc/53/20/47/1121532047.db2.gz NVAHABYOHIGTHM-KRWDZBQOSA-N 0 1 283.419 3.980 20 0 CHADMN C[C@@H](c1ccco1)N(C)C[C@@H]1CCCC2(CCC2)O1 ZINC000929369950 1121541126 /nfs/dbraw/zinc/54/11/26/1121541126.db2.gz MBAXYZXYWQSTNE-KBPBESRZSA-N 0 1 263.381 3.764 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC1CCC2(CC2)CC1 ZINC000923229400 1121542727 /nfs/dbraw/zinc/54/27/27/1121542727.db2.gz GTDZTQROKVMZLT-JYJNAYRXSA-N 0 1 291.435 3.675 20 0 CHADMN CCCc1noc(CN2CC[C@@H](c3ccc(CC)cc3)C2)n1 ZINC000433058701 1121545062 /nfs/dbraw/zinc/54/50/62/1121545062.db2.gz BIJIPORCFXFCGD-MRXNPFEDSA-N 0 1 299.418 3.574 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)CC1 ZINC000923242544 1121545756 /nfs/dbraw/zinc/54/57/56/1121545756.db2.gz YUMUDZAKZQOUQS-AWEZNQCLSA-N 0 1 279.424 3.534 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cnc(C3CC3)s2)s1 ZINC000631223450 1128992803 /nfs/dbraw/zinc/99/28/03/1128992803.db2.gz AVZXAYMFBQRXJO-MRVPVSSYSA-N 0 1 279.434 3.636 20 0 CHADMN CC(C)(C)C(C)(C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000433084460 1121557335 /nfs/dbraw/zinc/55/73/35/1121557335.db2.gz SUAITSZMDDJQGE-UHFFFAOYSA-N 0 1 259.353 3.574 20 0 CHADMN CCCN(Cc1nc(Br)cs1)CC1CC1 ZINC001137773831 1121557711 /nfs/dbraw/zinc/55/77/11/1121557711.db2.gz IJDXZSRLAJVYIA-UHFFFAOYSA-N 0 1 289.242 3.528 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccc(C)cc2F)s1 ZINC000631229224 1128993469 /nfs/dbraw/zinc/99/34/69/1128993469.db2.gz VBBGORZIDMLGNW-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN CSc1ccc(F)cc1CNCc1ccc(F)nc1C ZINC000785482490 1121562772 /nfs/dbraw/zinc/56/27/72/1121562772.db2.gz HKQYHEJXZCAENI-UHFFFAOYSA-N 0 1 294.370 3.680 20 0 CHADMN Cc1noc(C)c1Nc1cc(-c2cccc(F)c2)no1 ZINC001176176392 1121563767 /nfs/dbraw/zinc/56/37/67/1121563767.db2.gz JEULOEFHGZIGBI-UHFFFAOYSA-N 0 1 273.267 3.829 20 0 CHADMN CC1(C)CCC(C[N@H+]2CC[C@]3(C(=O)[O-])CCC[C@H]23)CC1 ZINC000711652866 1121563961 /nfs/dbraw/zinc/56/39/61/1121563961.db2.gz XOGXASMFLATBLA-WMLDXEAASA-N 0 1 279.424 3.532 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cnc(C)s2)cs1 ZINC000631228820 1128993888 /nfs/dbraw/zinc/99/38/88/1128993888.db2.gz RKBLXYAZDYAMMS-VIFPVBQESA-N 0 1 252.408 3.672 20 0 CHADMN CCc1cccc(F)c1CNCc1cccc2c1CCOC2 ZINC000631243845 1128994103 /nfs/dbraw/zinc/99/41/03/1128994103.db2.gz RBECCJGELXXDOW-UHFFFAOYSA-N 0 1 299.389 3.751 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2cccc3c2CCOC3)o1 ZINC000631245430 1128994238 /nfs/dbraw/zinc/99/42/38/1128994238.db2.gz OODASULOJBHWDV-ACJLOTCBSA-N 0 1 297.398 3.766 20 0 CHADMN COc1ccnc([C@@H](C)N[C@H]2CCc3ccc(F)cc32)c1 ZINC000925374431 1121571652 /nfs/dbraw/zinc/57/16/52/1121571652.db2.gz NRXFDZYYUJLXPM-BZNIZROVSA-N 0 1 286.350 3.567 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC000923470289 1121575712 /nfs/dbraw/zinc/57/57/12/1121575712.db2.gz LSJBIEVJTUTDSZ-INMHGKMJSA-N 0 1 281.440 3.780 20 0 CHADMN Cc1cc(NC=CCc2ccccc2)n(-c2ccncc2)n1 ZINC001176217193 1121575742 /nfs/dbraw/zinc/57/57/42/1121575742.db2.gz FEUZNCQUBNIYQS-VZUCSPMQSA-N 0 1 290.370 3.744 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000923469504 1121577583 /nfs/dbraw/zinc/57/75/83/1121577583.db2.gz KPVBKRCELLOVBG-GOEBONIOSA-N 0 1 269.429 3.780 20 0 CHADMN CC(C)Oc1cccc(F)c1Nc1cc(=O)[nH]c(Cl)n1 ZINC001211775541 1121581933 /nfs/dbraw/zinc/58/19/33/1121581933.db2.gz QNLKAVQJBDKUBE-UHFFFAOYSA-N 0 1 297.717 3.506 20 0 CHADMN CCc1ccc(CNC(C)(C)c2cccc(C)c2)nc1 ZINC000411470300 1121591078 /nfs/dbraw/zinc/59/10/78/1121591078.db2.gz OEAYKSZIIANNIO-UHFFFAOYSA-N 0 1 268.404 3.977 20 0 CHADMN CCCCOc1cccc(F)c1Nc1ccnc(CO)c1 ZINC001211792791 1121593208 /nfs/dbraw/zinc/59/32/08/1121593208.db2.gz VOAMUXNCERSQNX-UHFFFAOYSA-N 0 1 290.338 3.636 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@@H](CC(C)C)C2)n1 ZINC000466744756 1121596278 /nfs/dbraw/zinc/59/62/78/1121596278.db2.gz VVCWNUOHUDRCRA-KBPBESRZSA-N 0 1 279.428 3.841 20 0 CHADMN Cc1csc([C@@H](C)NCCOc2c(C)cccc2C)n1 ZINC000411519306 1121600630 /nfs/dbraw/zinc/60/06/30/1121600630.db2.gz LWGUYVDWYWGVRY-CQSZACIVSA-N 0 1 290.432 3.798 20 0 CHADMN Oc1ccc2cc(Nc3ccc4nccn4c3)ccc2c1 ZINC001176386081 1121608540 /nfs/dbraw/zinc/60/85/40/1121608540.db2.gz CGENENKVVFQRQL-UHFFFAOYSA-N 0 1 275.311 3.937 20 0 CHADMN CCOCc1ccccc1CN[C@H](C)c1ccoc1 ZINC000094868893 1128997334 /nfs/dbraw/zinc/99/73/34/1128997334.db2.gz FNBJTNYYXDOMBN-CYBMUJFWSA-N 0 1 259.349 3.667 20 0 CHADMN CCN(c1ccc(N[C@H](COC)C2CC2)cc1)C(C)C ZINC000182774543 1128997393 /nfs/dbraw/zinc/99/73/93/1128997393.db2.gz RUAVWHLQXZZKGW-QGZVFWFLSA-N 0 1 276.424 3.758 20 0 CHADMN Fc1ccccc1[C@]1(F)CCN(CCC2CCOCC2)C1 ZINC000433186911 1121615248 /nfs/dbraw/zinc/61/52/48/1121615248.db2.gz LZFVSLVZHXFEBE-KRWDZBQOSA-N 0 1 295.373 3.513 20 0 CHADMN CC[C@@H](NCc1scnc1C1CC1)c1ccncc1 ZINC000487299345 1121618057 /nfs/dbraw/zinc/61/80/57/1121618057.db2.gz OGOSMOASALKEBZ-CYBMUJFWSA-N 0 1 273.405 3.656 20 0 CHADMN Oc1cccc2c1CC[C@H]2NCc1scnc1C1CC1 ZINC000487311528 1121619365 /nfs/dbraw/zinc/61/93/65/1121619365.db2.gz PLTKVJJRZIIVSC-CYBMUJFWSA-N 0 1 286.400 3.503 20 0 CHADMN C[C@@H]1CC2(CCC2)CN1Cc1nc2cc(F)ccc2o1 ZINC000433237505 1121623919 /nfs/dbraw/zinc/62/39/19/1121623919.db2.gz XNHBPLHJAHJFFR-LLVKDONJSA-N 0 1 274.339 3.731 20 0 CHADMN c1ccc2cc(CN3CCOC[C@H]3CC3CC3)ccc2c1 ZINC001176402079 1121626173 /nfs/dbraw/zinc/62/61/73/1121626173.db2.gz LDIALSVKLSZJKH-LJQANCHMSA-N 0 1 281.399 3.841 20 0 CHADMN CCc1cccc(Cl)c1CNCc1cnn2ccccc12 ZINC000512874718 1121629900 /nfs/dbraw/zinc/62/99/00/1121629900.db2.gz SDHOHIFAVWDODS-UHFFFAOYSA-N 0 1 299.805 3.840 20 0 CHADMN Cc1cc([C@H]2CCCCN2Cc2cc(F)ccc2F)n[nH]1 ZINC001176473951 1121634876 /nfs/dbraw/zinc/63/48/76/1121634876.db2.gz DUFAZUZAQGRCDB-MRXNPFEDSA-N 0 1 291.345 3.724 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1nc2c(s1)CCCC2 ZINC000611464522 1121648681 /nfs/dbraw/zinc/64/86/81/1121648681.db2.gz OUIGCHKJMOMNON-LLVKDONJSA-N 0 1 284.494 3.595 20 0 CHADMN Cc1ccc(C)c(Nc2ccc(/C=C/C(=O)[O-])cc2)[nH+]1 ZINC001176590039 1121649376 /nfs/dbraw/zinc/64/93/76/1121649376.db2.gz PTQXURNCKGVGGC-JXMROGBWSA-N 0 1 268.316 3.540 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(C3CC3)cc2)ncn1 ZINC000419326439 1121657910 /nfs/dbraw/zinc/65/79/10/1121657910.db2.gz CIJXSFLZEZLQCR-ZDUSSCGKSA-N 0 1 267.376 3.513 20 0 CHADMN Cc1ncoc1CN[C@@H](CC(C)C)c1ccccc1 ZINC000894142886 1121659541 /nfs/dbraw/zinc/65/95/41/1121659541.db2.gz OXVOUGZCNUFUEZ-HNNXBMFYSA-N 0 1 258.365 3.860 20 0 CHADMN C[C@@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1nc(C(C)(C)C)cs1 ZINC000451128425 1121660850 /nfs/dbraw/zinc/66/08/50/1121660850.db2.gz XDGQTBWJQTXEMK-KKOKHZNYSA-N 0 1 282.453 3.657 20 0 CHADMN Cc1nnc(CN(C)[C@H]2CCC[C@@H]2C(C)(C)C)n1C1CC1 ZINC000419331095 1121662753 /nfs/dbraw/zinc/66/27/53/1121662753.db2.gz IXSVTZNQFIELSD-GJZGRUSLSA-N 0 1 290.455 3.568 20 0 CHADMN CC(C)Oc1ncccc1CN[C@H]1CCc2ccccc21 ZINC000048760450 1121664700 /nfs/dbraw/zinc/66/47/00/1121664700.db2.gz UWLVOFPCAFGWAX-KRWDZBQOSA-N 0 1 282.387 3.646 20 0 CHADMN CN(Cc1nc(C2CC2)no1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419337124 1121666822 /nfs/dbraw/zinc/66/68/22/1121666822.db2.gz XZITVFQHINUCHD-OLZOCXBDSA-N 0 1 277.412 3.594 20 0 CHADMN CC(C)Oc1ccc(Cl)cc1Nc1ccnc(CO)c1 ZINC001176642766 1121667551 /nfs/dbraw/zinc/66/75/51/1121667551.db2.gz KAEWYTOKSQITMK-UHFFFAOYSA-N 0 1 292.766 3.758 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(-c2ccncc2)cc1 ZINC001176696393 1121675158 /nfs/dbraw/zinc/67/51/58/1121675158.db2.gz YWYHOMOCSYEPPE-UHFFFAOYSA-N 0 1 264.332 3.534 20 0 CHADMN CC(C)[C@H]1CC[C@@H]1N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000513662543 1121677920 /nfs/dbraw/zinc/67/79/20/1121677920.db2.gz XBGXMZTUQSNKNK-CFVMTHIKSA-N 0 1 285.391 3.822 20 0 CHADMN CCn1ccc(CN(C)Cc2cnc3ccc(C)cc3c2)c1 ZINC000664092257 1121678054 /nfs/dbraw/zinc/67/80/54/1121678054.db2.gz WAWSFSKKRVZRTG-UHFFFAOYSA-N 0 1 293.414 3.997 20 0 CHADMN Cc1ncc(CN(C)Cc2cc(C)ccc2C)s1 ZINC000052101246 1121679443 /nfs/dbraw/zinc/67/94/43/1121679443.db2.gz ZTKIBXGXUFIWKO-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN Clc1cc(OCc2ccno2)ccc1CN1CCCC1 ZINC000664101447 1121679499 /nfs/dbraw/zinc/67/94/99/1121679499.db2.gz PCJAUAODRXAWBV-UHFFFAOYSA-N 0 1 292.766 3.503 20 0 CHADMN CCOc1ccc([C@H](C)NCc2ccccc2OC)cc1 ZINC000019903231 1121686319 /nfs/dbraw/zinc/68/63/19/1121686319.db2.gz WZZPCULGAPVRKI-AWEZNQCLSA-N 0 1 285.387 3.945 20 0 CHADMN COc1cccc2cc([C@@H](C)NCc3cccn3C)oc21 ZINC000265629000 1121688989 /nfs/dbraw/zinc/68/89/89/1121688989.db2.gz CNRODNTZDSCXGW-GFCCVEGCSA-N 0 1 284.359 3.631 20 0 CHADMN Fc1cccc(Cl)c1CNC1([C@H]2CCCO2)CCC1 ZINC001176940369 1121701795 /nfs/dbraw/zinc/70/17/95/1121701795.db2.gz SGUPLRWIHLKENH-CQSZACIVSA-N 0 1 283.774 3.670 20 0 CHADMN Cc1ccccc1-c1nc(CN2C[C@H](C)[C@H](C)[C@H]2C)no1 ZINC000419371698 1121702809 /nfs/dbraw/zinc/70/28/09/1121702809.db2.gz LDCFDNOENMOOFR-MELADBBJSA-N 0 1 285.391 3.521 20 0 CHADMN COCC[N@@H+](Cc1cccc(Cl)c1Cl)C(C)C ZINC001204182787 1121703847 /nfs/dbraw/zinc/70/38/47/1121703847.db2.gz SQYJKIJBFZPNML-UHFFFAOYSA-N 0 1 276.207 3.850 20 0 CHADMN COCCN(Cc1cccc(Cl)c1Cl)C(C)C ZINC001204182787 1121703851 /nfs/dbraw/zinc/70/38/51/1121703851.db2.gz SQYJKIJBFZPNML-UHFFFAOYSA-N 0 1 276.207 3.850 20 0 CHADMN C[C@H](NCc1ccsc1)c1ccc(Br)nc1 ZINC000289925139 1121705065 /nfs/dbraw/zinc/70/50/65/1121705065.db2.gz VIZBGSTWNMDSPD-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN Cc1cc2cc(CNCc3cccnc3)oc2cc1C ZINC001177104316 1121713896 /nfs/dbraw/zinc/71/38/96/1121713896.db2.gz PICOFNLCHRFBAO-UHFFFAOYSA-N 0 1 266.344 3.734 20 0 CHADMN Cc1c2cc(F)ccc2oc1CNCc1ccoc1 ZINC000727468037 1121721318 /nfs/dbraw/zinc/72/13/18/1121721318.db2.gz FYEFQGHFYNMCBR-UHFFFAOYSA-N 0 1 259.280 3.763 20 0 CHADMN COc1ccc(CNCc2ccoc2)c(C(F)(F)F)c1 ZINC000727470480 1121722809 /nfs/dbraw/zinc/72/28/09/1121722809.db2.gz FXCBRTOFVDJSFF-UHFFFAOYSA-N 0 1 285.265 3.597 20 0 CHADMN CC(C)(C)c1n[nH]c(SCCSc2ccccc2)n1 ZINC000182847756 1129005161 /nfs/dbraw/zinc/00/51/61/1129005161.db2.gz MBQMXFKOEUSBCO-UHFFFAOYSA-N 0 1 293.461 3.987 20 0 CHADMN CC(C)(C)c1nc(SCCSc2ccccc2)n[nH]1 ZINC000182847756 1129005164 /nfs/dbraw/zinc/00/51/64/1129005164.db2.gz MBQMXFKOEUSBCO-UHFFFAOYSA-N 0 1 293.461 3.987 20 0 CHADMN CCCCCC[C@@H](C)CC(=O)N1CCN(CC2CC2)CC1 ZINC000727672648 1121733665 /nfs/dbraw/zinc/73/36/65/1121733665.db2.gz CDBHGCHGRJVTLR-MRXNPFEDSA-N 0 1 294.483 3.537 20 0 CHADMN Cc1cccc2nc(NC(=O)[C@H]3C[C@H]3c3cccs3)[nH]c21 ZINC001177531097 1121736652 /nfs/dbraw/zinc/73/66/52/1121736652.db2.gz SRJYFNFEDVHNDS-MNOVXSKESA-N 0 1 297.383 3.675 20 0 CHADMN CCN(CCC(F)(F)F)Cc1ccc(OC)c(F)c1 ZINC000057621195 1121737060 /nfs/dbraw/zinc/73/70/60/1121737060.db2.gz QPOACQDPDQIKFJ-UHFFFAOYSA-N 0 1 279.277 3.609 20 0 CHADMN Clc1cscc1CN1CC[C@@H]2CSC[C@H]2C1 ZINC000877740963 1121747500 /nfs/dbraw/zinc/74/75/00/1121747500.db2.gz XNKOYZBNBFYMEF-NXEZZACHSA-N 0 1 273.854 3.586 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2N[C@H]1CCCc2ncccc21 ZINC000631566462 1129007675 /nfs/dbraw/zinc/00/76/75/1129007675.db2.gz OXNVZIRKVGAVGF-HOTGVXAUSA-N 0 1 268.360 3.719 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000286683805 1121770089 /nfs/dbraw/zinc/77/00/89/1121770089.db2.gz XBJFOPNRLZZZFI-SJKOYZFVSA-N 0 1 295.386 3.510 20 0 CHADMN CCC[C@H](C)N(C)CC(=O)Nc1cccc2ccccc21 ZINC000030269355 1121772463 /nfs/dbraw/zinc/77/24/63/1121772463.db2.gz PVFZFPPTLZRHAO-AWEZNQCLSA-N 0 1 284.403 3.899 20 0 CHADMN CCc1nc(C)c(CN[C@@H](C)c2ccc(C)cc2)o1 ZINC000291890532 1121776249 /nfs/dbraw/zinc/77/62/49/1121776249.db2.gz KLUMHTKPNPIBRE-LBPRGKRZSA-N 0 1 258.365 3.705 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2ccc3c(c2)CCC3)n1 ZINC001178387334 1121781887 /nfs/dbraw/zinc/78/18/87/1121781887.db2.gz XMJNTTFFWFPAEG-CQSZACIVSA-N 0 1 296.414 3.820 20 0 CHADMN COc1cc([C@@H](C)N[C@@H]2CCCCc3ccccc32)on1 ZINC000924897349 1121787310 /nfs/dbraw/zinc/78/73/10/1121787310.db2.gz VNEUBYTUKGQZAF-IUODEOHRSA-N 0 1 286.375 3.802 20 0 CHADMN CCc1nocc1CN(C)C/C(C)=C\c1ccccc1 ZINC000513232950 1121796844 /nfs/dbraw/zinc/79/68/44/1121796844.db2.gz SSUIUFOFIRICAH-UVTDQMKNSA-N 0 1 270.376 3.772 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(C3CCC3)cc2)[nH]n1 ZINC000631580448 1129009812 /nfs/dbraw/zinc/00/98/12/1129009812.db2.gz HBABXOSQNGJQHI-CYBMUJFWSA-N 0 1 269.392 3.836 20 0 CHADMN Cc1ccc2ccccc2c1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178689919 1121807182 /nfs/dbraw/zinc/80/71/82/1121807182.db2.gz FIERAERTLOXLSW-INIZCTEOSA-N 0 1 282.387 3.571 20 0 CHADMN Cc1ccc2ccccc2c1NC(=O)[C@@H]1CCCCN1C ZINC001178689919 1121807188 /nfs/dbraw/zinc/80/71/88/1121807188.db2.gz FIERAERTLOXLSW-INIZCTEOSA-N 0 1 282.387 3.571 20 0 CHADMN Fc1cccc(CNCc2ccnc(C(F)(F)F)c2)c1 ZINC001178758798 1121813644 /nfs/dbraw/zinc/81/36/44/1121813644.db2.gz IVYWYJFHSLYUBB-UHFFFAOYSA-N 0 1 284.256 3.529 20 0 CHADMN COc1ccncc1CNC/C=C\c1c(C)cc(C)cc1C ZINC001178783562 1121815150 /nfs/dbraw/zinc/81/51/50/1121815150.db2.gz SYHXOPCBYDKYHP-WAYWQWQTSA-N 0 1 296.414 3.818 20 0 CHADMN CCOc1ccc(Cl)cc1CNCc1cnccc1C ZINC001178774833 1121820202 /nfs/dbraw/zinc/82/02/02/1121820202.db2.gz MPAQTZAAFSSHPL-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN CC[C@@H]([NH2+]Cc1cccc([O-])c1Cl)[C@@H]1CC1(C)C ZINC001178978170 1121831851 /nfs/dbraw/zinc/83/18/51/1121831851.db2.gz USAVGCYLEXZAHX-NWDGAFQWSA-N 0 1 267.800 3.960 20 0 CHADMN CC(C)(C)O[C@H]1C[C@@H](NCc2nc(C(C)(C)C)cs2)C1 ZINC001179011639 1121841491 /nfs/dbraw/zinc/84/14/91/1121841491.db2.gz NAANATQGHFDOST-TXEJJXNPSA-N 0 1 296.480 3.876 20 0 CHADMN COc1cccc(C2(N[C@@H]3CCCc4ncccc43)CC2)c1 ZINC000631609508 1129013163 /nfs/dbraw/zinc/01/31/63/1129013163.db2.gz XEKCFQMZZXOBEO-GOSISDBHSA-N 0 1 294.398 3.747 20 0 CHADMN CC[C@@H](C)[C@H](C)N(CC(=O)OCc1ccccc1)C1CC1 ZINC000731104284 1121847008 /nfs/dbraw/zinc/84/70/08/1121847008.db2.gz YDWRUXCSSRXWGO-CABCVRRESA-N 0 1 289.419 3.629 20 0 CHADMN CCCn1nccc1CN(Cc1ccc(F)cc1)C(C)C ZINC000667503610 1121848788 /nfs/dbraw/zinc/84/87/88/1121848788.db2.gz RFGQNPSLMRKVKV-UHFFFAOYSA-N 0 1 289.398 3.843 20 0 CHADMN C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000030379179 1121853883 /nfs/dbraw/zinc/85/38/83/1121853883.db2.gz UVXYJGMONQFOHI-CXAGYDPISA-N 0 1 297.402 3.727 20 0 CHADMN CSc1ccc(NCc2cnc[nH]2)cc1Br ZINC001179200541 1121857494 /nfs/dbraw/zinc/85/74/94/1121857494.db2.gz VCBIRADKUKTKEZ-UHFFFAOYSA-N 0 1 298.209 3.506 20 0 CHADMN C[C@H](CCC(=O)Nc1ccc2cncn2c1)c1ccccc1 ZINC001179304738 1121868124 /nfs/dbraw/zinc/86/81/24/1121868124.db2.gz XMMLYTCLPQPWQT-CQSZACIVSA-N 0 1 293.370 3.857 20 0 CHADMN CC1=C(C)C[C@](C)(C(=O)Nc2ccc3cncn3c2)CC1 ZINC001179310019 1121870336 /nfs/dbraw/zinc/87/03/36/1121870336.db2.gz MDMKVPQCAJUPAD-QGZVFWFLSA-N 0 1 283.375 3.799 20 0 CHADMN c1nn(CC2CCC2)cc1CNc1ccc2c(n1)CCCC2 ZINC001179515559 1121884069 /nfs/dbraw/zinc/88/40/69/1121884069.db2.gz DDSWMMBGHQVPAR-UHFFFAOYSA-N 0 1 296.418 3.569 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1cnc2ccccc2c1 ZINC000731867835 1121890234 /nfs/dbraw/zinc/89/02/34/1121890234.db2.gz XYRIYCAYLYAXIP-UHFFFAOYSA-N 0 1 299.418 3.685 20 0 CHADMN CCc1cc(OC)ccc1CN[C@@H]1CCCc2cccnc21 ZINC001179705686 1121902623 /nfs/dbraw/zinc/90/26/23/1121902623.db2.gz BNFPDIPPZGKDKV-GOSISDBHSA-N 0 1 296.414 3.820 20 0 CHADMN CCC[C@H](O)CCNCc1cc(Cl)sc1Cl ZINC001179702131 1121903079 /nfs/dbraw/zinc/90/30/79/1121903079.db2.gz XYPBWLHAVSCARE-VIFPVBQESA-N 0 1 282.236 3.696 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1ccsc1C(F)(F)F ZINC000631656586 1129017999 /nfs/dbraw/zinc/01/79/99/1129017999.db2.gz IZSQHFBUILLDFA-SSDOTTSWSA-N 0 1 289.326 3.649 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1nc(C(C)C)cs1 ZINC000732263521 1121914101 /nfs/dbraw/zinc/91/41/01/1121914101.db2.gz QKEIRUYOSDGWCZ-UHFFFAOYSA-N 0 1 297.468 3.717 20 0 CHADMN c1ccc([C@H]2CCN2Cc2nccc3c2CCCC3)cc1 ZINC001179845304 1121916464 /nfs/dbraw/zinc/91/64/64/1121916464.db2.gz NYLJYGLGCRLEJA-LJQANCHMSA-N 0 1 278.399 3.907 20 0 CHADMN CCCCCCN(C)CC(=O)N1C[C@H](C)c2ccccc21 ZINC000732272151 1121916507 /nfs/dbraw/zinc/91/65/07/1121916507.db2.gz KHLZSUHVOFHWFC-HNNXBMFYSA-N 0 1 288.435 3.649 20 0 CHADMN C[C@H](NCC(C)(C)F)c1cnc2ccsc2c1 ZINC000631658235 1129018447 /nfs/dbraw/zinc/01/84/47/1129018447.db2.gz JPPMEGKJUYUQQW-VIFPVBQESA-N 0 1 252.358 3.695 20 0 CHADMN CC/C=C(\C)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732545251 1121923962 /nfs/dbraw/zinc/92/39/62/1121923962.db2.gz XMKOOPRKFQRWIX-NAZIUFLLSA-N 0 1 291.782 3.750 20 0 CHADMN COC1CCN([C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000345946097 1121930232 /nfs/dbraw/zinc/93/02/32/1121930232.db2.gz YIAOGDCDXLTJTJ-CYBMUJFWSA-N 0 1 286.375 3.513 20 0 CHADMN C[C@H]1[C@@H](C)N(Cc2nc3ccccc3n2C(F)F)C[C@H]1C ZINC000419397256 1121934018 /nfs/dbraw/zinc/93/40/18/1121934018.db2.gz UNGOQKKRFBFGPK-IJLUTSLNSA-N 0 1 293.361 3.908 20 0 CHADMN CCOc1ccc(CN2CCS[C@@H]3CCCC[C@H]32)o1 ZINC001180053346 1121943649 /nfs/dbraw/zinc/94/36/49/1121943649.db2.gz YEFALBFAMKWHCJ-ZIAGYGMSSA-N 0 1 281.421 3.538 20 0 CHADMN C[C@@H]1Cc2ccc(Br)cc2CN1CC1(C)CC1 ZINC001180133513 1121949576 /nfs/dbraw/zinc/94/95/76/1121949576.db2.gz XAHLDFRVGGLFSQ-LLVKDONJSA-N 0 1 294.236 3.996 20 0 CHADMN Cc1scc(CN[C@H](C)c2cnc(C)nc2C)c1C ZINC000631681724 1129020967 /nfs/dbraw/zinc/02/09/67/1129020967.db2.gz GMOSPHJTIKMFJL-SNVBAGLBSA-N 0 1 275.421 3.623 20 0 CHADMN CCCn1cc(CN2CCCCC[C@@H]2c2ccccc2)nn1 ZINC001180171010 1121963527 /nfs/dbraw/zinc/96/35/27/1121963527.db2.gz SDYQIFRUHDWTNQ-GOSISDBHSA-N 0 1 298.434 3.805 20 0 CHADMN CC(C)c1ncc(CNc2ccc3nc[nH]c3c2)s1 ZINC000419732084 1121964285 /nfs/dbraw/zinc/96/42/85/1121964285.db2.gz RQMQFPMIQSESCA-UHFFFAOYSA-N 0 1 272.377 3.755 20 0 CHADMN CCC[C@@H](C)N(C)Cc1c(F)cccc1OCC ZINC001180275455 1121967265 /nfs/dbraw/zinc/96/72/65/1121967265.db2.gz QWRAFXAHJAHEMY-GFCCVEGCSA-N 0 1 253.361 3.845 20 0 CHADMN COc1cc2ccccc2cc1CN1CCSC[C@H]1C ZINC001180233761 1121967951 /nfs/dbraw/zinc/96/79/51/1121967951.db2.gz ICPWGCAKLNYNAH-CYBMUJFWSA-N 0 1 287.428 3.786 20 0 CHADMN COc1cccc(CN[C@@H]2CCCC[C@H]2F)c1OC(C)C ZINC000419810025 1121970880 /nfs/dbraw/zinc/97/08/80/1121970880.db2.gz DSKWFHNTLWJHHB-HUUCEWRRSA-N 0 1 295.398 3.853 20 0 CHADMN Cc1cccc2nc(NC(=O)CCC(F)=C(F)F)[nH]c21 ZINC001180273851 1121971982 /nfs/dbraw/zinc/97/19/82/1121971982.db2.gz QOACEQROROLNAB-UHFFFAOYSA-N 0 1 283.253 3.668 20 0 CHADMN CC[C@@H]1CN(Cc2cc3ccccc3c(OC)c2)C[C@@H](C)O1 ZINC001180281235 1121975888 /nfs/dbraw/zinc/97/58/88/1121975888.db2.gz ZMKOMCHLJYOJBH-RHSMWYFYSA-N 0 1 299.414 3.848 20 0 CHADMN CO[C@@H](CN[C@H](C)c1ccc(Cl)cc1)C(F)(F)F ZINC000733323117 1121976346 /nfs/dbraw/zinc/97/63/46/1121976346.db2.gz FNFGDRGXTLBSBY-KCJUWKMLSA-N 0 1 281.705 3.568 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2ccc3c(c2)COC3)s1 ZINC000631706629 1129023001 /nfs/dbraw/zinc/02/30/01/1129023001.db2.gz JSMFEDJAZXPISG-MNOVXSKESA-N 0 1 288.416 3.894 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2ccc(C)nc2C)s1 ZINC000631706691 1129023032 /nfs/dbraw/zinc/02/30/32/1129023032.db2.gz AHOCNMACWNBYQB-NEPJUHHUSA-N 0 1 275.421 3.875 20 0 CHADMN Cc1ccc(C)c([C@H](C)NCc2cccc(N(C)C)n2)c1 ZINC000163134209 1129023132 /nfs/dbraw/zinc/02/31/32/1129023132.db2.gz JJQBCSGRRHLUDY-HNNXBMFYSA-N 0 1 283.419 3.615 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cccc3c2CCOC3)o1 ZINC000631729459 1129023958 /nfs/dbraw/zinc/02/39/58/1129023958.db2.gz MZCNNDTYXIHCJJ-CYBMUJFWSA-N 0 1 285.387 3.766 20 0 CHADMN Cc1ccc(CN(C)[C@H](c2ccc(F)cc2)C(C)C)nn1 ZINC000414450532 1121999567 /nfs/dbraw/zinc/99/95/67/1121999567.db2.gz XVRSVQXBNXAJKG-KRWDZBQOSA-N 0 1 287.382 3.753 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(C)o2)c(C)c1 ZINC000631729645 1129024519 /nfs/dbraw/zinc/02/45/19/1129024519.db2.gz HGMQWBZPJIFJQF-CYBMUJFWSA-N 0 1 259.349 3.756 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)o1 ZINC000631728645 1129024608 /nfs/dbraw/zinc/02/46/08/1129024608.db2.gz VEVLBMCKQKGIBM-LBPRGKRZSA-N 0 1 298.386 3.669 20 0 CHADMN C[C@H]1CN(Cc2nc3cc(Cl)ccc3n2C)CC[C@@H]1C ZINC000501811670 1122009260 /nfs/dbraw/zinc/00/92/60/1122009260.db2.gz IGJTVMBEDQDRQN-RYUDHWBXSA-N 0 1 291.826 3.705 20 0 CHADMN CC(C)OCCCN1CCc2ccc(Cl)cc2C1 ZINC000153197766 1129024930 /nfs/dbraw/zinc/02/49/30/1129024930.db2.gz PBBYNDGIVCCLGM-UHFFFAOYSA-N 0 1 267.800 3.513 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1CC[C@H](C)[C@@H](C)C1 ZINC000501818141 1122012491 /nfs/dbraw/zinc/01/24/91/1122012491.db2.gz VWOFRCMGXBPFKG-RYUDHWBXSA-N 0 1 294.826 3.565 20 0 CHADMN Cc1[nH]nc(CN(C)c2ccc(C(C)C)cc2)c1C ZINC001180760065 1122012872 /nfs/dbraw/zinc/01/28/72/1122012872.db2.gz XCRACLNGFIRASY-UHFFFAOYSA-N 0 1 257.381 3.786 20 0 CHADMN CCCCCN(CCCOC)Cc1nc(Cl)cs1 ZINC001180801813 1122017940 /nfs/dbraw/zinc/01/79/40/1122017940.db2.gz KMJGQQWSVMODMC-UHFFFAOYSA-N 0 1 290.860 3.825 20 0 CHADMN COc1cccc2c1CCN(C/C=C/c1ccc(F)cc1)C2 ZINC001180802122 1122017964 /nfs/dbraw/zinc/01/79/64/1122017964.db2.gz MUEZFNDWCWWWPI-ONEGZZNKSA-N 0 1 297.373 3.906 20 0 CHADMN Cc1ccc(C)c(OCCN2CCc3sccc3C2)c1 ZINC000501854478 1122018535 /nfs/dbraw/zinc/01/85/35/1122018535.db2.gz YTKIDQIJVOQMRI-UHFFFAOYSA-N 0 1 287.428 3.802 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1c1noc(C23CCCN2CCC3)n1 ZINC000420504187 1122019771 /nfs/dbraw/zinc/01/97/71/1122019771.db2.gz OAYWFSQXGMJKLO-KGLIPLIRSA-N 0 1 289.423 3.838 20 0 CHADMN C[C@H](NCc1ccns1)c1ccc(OC(F)F)cc1 ZINC000404271241 1122019985 /nfs/dbraw/zinc/01/99/85/1122019985.db2.gz ITUZQRYUJYNJMZ-VIFPVBQESA-N 0 1 284.331 3.595 20 0 CHADMN CC[C@H](N[C@H](C)c1ccccc1C)c1ccn(C)n1 ZINC000631736331 1129026077 /nfs/dbraw/zinc/02/60/77/1129026077.db2.gz HMUQSBUXPBYQBR-HIFRSBDPSA-N 0 1 257.381 3.530 20 0 CHADMN C[C@@H](N[C@H](CN1CCCCC1)c1ccccc1)c1ncco1 ZINC000924926556 1122032140 /nfs/dbraw/zinc/03/21/40/1122032140.db2.gz YSVJXZJOLJZAAQ-NVXWUHKLSA-N 0 1 299.418 3.552 20 0 CHADMN C[C@H]1C[C@H](N[C@H]2C[C@H](Sc3ccccc3)C2)c2nccn21 ZINC000631739298 1129027128 /nfs/dbraw/zinc/02/71/28/1129027128.db2.gz LCUKPEQPUSGPMZ-SDADXPQNSA-N 0 1 299.443 3.802 20 0 CHADMN COC[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cccc(Cl)c1 ZINC000631753288 1129027623 /nfs/dbraw/zinc/02/76/23/1129027623.db2.gz JCDRGYQRLINGRL-IJLUTSLNSA-N 0 1 293.716 3.568 20 0 CHADMN Cc1ccc(C2CC(NCc3ncccc3F)C2)cc1 ZINC001181428170 1122053477 /nfs/dbraw/zinc/05/34/77/1122053477.db2.gz TZBPLGZYQNOQCQ-UHFFFAOYSA-N 0 1 270.351 3.565 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@H](CCO)CC1 ZINC000421009172 1122055611 /nfs/dbraw/zinc/05/56/11/1122055611.db2.gz FAFGGZCVYMVYRX-KBPBESRZSA-N 0 1 294.439 3.518 20 0 CHADMN Cc1ccc([C@H]2CC[N@@H+](Cc3ncccc3F)C2)c(C)c1 ZINC001181436273 1122056934 /nfs/dbraw/zinc/05/69/34/1122056934.db2.gz OHLHCEIESKFECR-HNNXBMFYSA-N 0 1 284.378 3.827 20 0 CHADMN Cc1cncc(CN[C@@H](CC(F)F)c2ccccc2)c1 ZINC000421001454 1122058347 /nfs/dbraw/zinc/05/83/47/1122058347.db2.gz WXEVNVDKIVWOQQ-HNNXBMFYSA-N 0 1 276.330 3.876 20 0 CHADMN Cc1ncc(CN(C(C)C)[C@@H](C)c2ccsc2)cn1 ZINC000420998613 1122059043 /nfs/dbraw/zinc/05/90/43/1122059043.db2.gz BHBNIWIFRCHSTH-LBPRGKRZSA-N 0 1 275.421 3.818 20 0 CHADMN COc1ccc(CN[C@@H](CC(F)F)c2ccccc2)cn1 ZINC000420995906 1122059135 /nfs/dbraw/zinc/05/91/35/1122059135.db2.gz PNKIMSWHVBYDFG-AWEZNQCLSA-N 0 1 292.329 3.576 20 0 CHADMN CC[C@@H](NCc1cc(C(F)(F)F)n[nH]1)c1ccccc1 ZINC000414490329 1122060808 /nfs/dbraw/zinc/06/08/08/1122060808.db2.gz ANEKLSSKYRKFMY-GFCCVEGCSA-N 0 1 283.297 3.669 20 0 CHADMN Cc1cccc2nc(NC(=O)[C@@H]3CCc4ccccc43)[nH]c21 ZINC001181756250 1122076100 /nfs/dbraw/zinc/07/61/00/1122076100.db2.gz MSEQEMGXUMXGFK-CQSZACIVSA-N 0 1 291.354 3.540 20 0 CHADMN C[C@H](N[C@@H]1CCCn2nccc21)c1nccc2ccccc21 ZINC000631809608 1129030388 /nfs/dbraw/zinc/03/03/88/1129030388.db2.gz LJPJYFUDMWEASC-XJKSGUPXSA-N 0 1 292.386 3.617 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2c3cc(C)ccc3C[C@@H]2C)nn1C ZINC000502473386 1122089679 /nfs/dbraw/zinc/08/96/79/1122089679.db2.gz CJGCVLGDRRBFGQ-XAYKYTGQSA-N 0 1 283.419 3.621 20 0 CHADMN CCC1(CC)C[C@@H]1C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC001181888972 1122091985 /nfs/dbraw/zinc/09/19/85/1122091985.db2.gz ZXPQDIUUTSDTBC-CYBMUJFWSA-N 0 1 271.364 3.636 20 0 CHADMN C[C@@H](N[C@H]1CCCn2nccc21)c1ccc2ccccc2n1 ZINC000631810058 1129030963 /nfs/dbraw/zinc/03/09/63/1129030963.db2.gz VZJDWCVDBDOPEX-DYVFJYSZSA-N 0 1 292.386 3.617 20 0 CHADMN Cc1ccc2cnccc2c1NC(=O)c1c(O)cccc1F ZINC001182001898 1122101764 /nfs/dbraw/zinc/10/17/64/1122101764.db2.gz QMZWFJAEETZQRH-UHFFFAOYSA-N 0 1 296.301 3.640 20 0 CHADMN CCc1cccc(CC)c1NC(=O)[C@@H]1CCCCN1CC ZINC001181996202 1122102108 /nfs/dbraw/zinc/10/21/08/1122102108.db2.gz CBXCOCWFUBUOBU-INIZCTEOSA-N 0 1 288.435 3.624 20 0 CHADMN CCN1CCCC[C@@H]1C(=O)Nc1c(C)ccc2ccccc21 ZINC001181994683 1122102523 /nfs/dbraw/zinc/10/25/23/1122102523.db2.gz SRFSCEUUWMQDNG-QGZVFWFLSA-N 0 1 296.414 3.961 20 0 CHADMN Cc1nn(-c2ccccc2Cl)cc1CN1C[C@@H](C)[C@@H]1C ZINC001182061209 1122107256 /nfs/dbraw/zinc/10/72/56/1122107256.db2.gz CIYYTWHNLDJTQC-YPMHNXCESA-N 0 1 289.810 3.674 20 0 CHADMN CC(C)[C@H]1N(Cc2c(Cl)n[nH]c2C2CC2)CC12CCC2 ZINC001182101108 1122113391 /nfs/dbraw/zinc/11/33/91/1122113391.db2.gz YPSBDMQGBJZFRE-CQSZACIVSA-N 0 1 293.842 3.951 20 0 CHADMN CC(C)(C)c1nc(CNCC(C)(C)OCC2CC2)cs1 ZINC000414517335 1122114752 /nfs/dbraw/zinc/11/47/52/1122114752.db2.gz QZIGLHOQBWLNTB-UHFFFAOYSA-N 0 1 296.480 3.735 20 0 CHADMN Cc1ccc(CCN2CC(C)(CC(F)(F)F)C2)cc1 ZINC001182225636 1122123140 /nfs/dbraw/zinc/12/31/40/1122123140.db2.gz BJUSXWNIRXUNPR-UHFFFAOYSA-N 0 1 271.326 3.812 20 0 CHADMN CCC[C@@H](CC)C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC001182261720 1122128864 /nfs/dbraw/zinc/12/88/64/1122128864.db2.gz NHSLTQLBVBFLGJ-GFCCVEGCSA-N 0 1 286.379 3.545 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000079450328 1129033818 /nfs/dbraw/zinc/03/38/18/1129033818.db2.gz IGUDRBLTHCEQDO-UHFFFAOYSA-N 0 1 292.342 3.714 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCCc3nc(C)ncc32)c(C)o1 ZINC000774200078 1122138978 /nfs/dbraw/zinc/13/89/78/1122138978.db2.gz BIURMNIVEPDBLI-BZNIZROVSA-N 0 1 285.391 3.723 20 0 CHADMN Cc1ccc(-c2ccc(C[N@H+]3CCCO[C@H](C)C3)o2)cc1 ZINC000513756663 1122149113 /nfs/dbraw/zinc/14/91/13/1122149113.db2.gz ZKUKBLAHQJLLJG-OAHLLOKOSA-N 0 1 285.387 3.866 20 0 CHADMN C[C@@H](NCCCc1c(F)cccc1Cl)c1csnn1 ZINC000414553126 1122153396 /nfs/dbraw/zinc/15/33/96/1122153396.db2.gz SNFRLIPTKUVMDT-SECBINFHSA-N 0 1 299.802 3.614 20 0 CHADMN CO[C@H](CNCc1cncc(Cl)c1Cl)CC(C)C ZINC001182432663 1122153520 /nfs/dbraw/zinc/15/35/20/1122153520.db2.gz CEOZEXFVENWMAW-NSHDSACASA-N 0 1 291.222 3.539 20 0 CHADMN Cc1ccccc1[C@]1(F)CCN(CCCOC(C)C)C1 ZINC000502891065 1122154863 /nfs/dbraw/zinc/15/48/63/1122154863.db2.gz DPHAQKWFOMQLQY-KRWDZBQOSA-N 0 1 279.399 3.681 20 0 CHADMN CCC[C@@H](Cc1ccccc1)N[C@H](C)c1csnn1 ZINC000414556243 1122157223 /nfs/dbraw/zinc/15/72/23/1122157223.db2.gz YBHPQVOJFKXNMU-OCCSQVGLSA-N 0 1 275.421 3.600 20 0 CHADMN C[C@H](NCCCC1CC1)c1nc(-c2cccc(F)c2)no1 ZINC000774390282 1122160575 /nfs/dbraw/zinc/16/05/75/1122160575.db2.gz LBXDSMMBLOLBBK-NSHDSACASA-N 0 1 289.354 3.717 20 0 CHADMN Cc1nn(C)cc1CN1CCC[C@@H]1c1cccc(Cl)c1 ZINC000153429932 1129035566 /nfs/dbraw/zinc/03/55/66/1129035566.db2.gz FRTJLRBZTLOUQM-MRXNPFEDSA-N 0 1 289.810 3.719 20 0 CHADMN Cc1ncsc1CN1CC[C@](F)(c2ccccc2C)C1 ZINC000503052057 1122164991 /nfs/dbraw/zinc/16/49/91/1122164991.db2.gz RFLMVKYBFDGTBU-MRXNPFEDSA-N 0 1 290.407 3.831 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(Cl)cc2)C(C)C)ncn1 ZINC000271717438 1122173083 /nfs/dbraw/zinc/17/30/83/1122173083.db2.gz NMSXURXBUPIHRT-MRXNPFEDSA-N 0 1 289.810 3.925 20 0 CHADMN CN(C)c1cccc(CN[C@@H](c2ccc(F)cc2)C2CC2)n1 ZINC000271765780 1122175829 /nfs/dbraw/zinc/17/58/29/1122175829.db2.gz UALYUQZATCYAQF-GOSISDBHSA-N 0 1 299.393 3.528 20 0 CHADMN CCCCC[C@@H](CC)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000271794735 1122176965 /nfs/dbraw/zinc/17/69/65/1122176965.db2.gz HFTONSOMTLRUEA-TZMCWYRMSA-N 0 1 277.412 3.510 20 0 CHADMN CC[C@@H](NCc1cnccc1C)c1ccc(F)cc1F ZINC000271828207 1122177907 /nfs/dbraw/zinc/17/79/07/1122177907.db2.gz TUTWKAJGFJWCSZ-MRXNPFEDSA-N 0 1 276.330 3.909 20 0 CHADMN Clc1ccc(CN[C@@H]2CCCc3sccc32)nc1 ZINC000271901642 1122181615 /nfs/dbraw/zinc/18/16/15/1122181615.db2.gz VQWYZRNZEAEPGQ-CYBMUJFWSA-N 0 1 278.808 3.964 20 0 CHADMN OC[C@@H]1CCCCCN1Cc1ccc(C(F)(F)F)s1 ZINC001182675560 1122181680 /nfs/dbraw/zinc/18/16/80/1122181680.db2.gz PPMICDCLQTTXCV-JTQLQIEISA-N 0 1 293.354 3.504 20 0 CHADMN CCOc1ccc(CN2C[C@H](CC)OC[C@@H]2CC)c(C)c1 ZINC001182756131 1122184516 /nfs/dbraw/zinc/18/45/16/1122184516.db2.gz WSDRWQIZOMUZPO-IRXDYDNUSA-N 0 1 291.435 3.783 20 0 CHADMN CO[C@H](c1ccccc1F)[C@@H](C)NCc1occc1C ZINC000271982390 1122185539 /nfs/dbraw/zinc/18/55/39/1122185539.db2.gz JRCXWVQGVCJPMX-WBMJQRKESA-N 0 1 277.339 3.593 20 0 CHADMN Nc1ncccc1CNCc1ccc(-c2cccs2)cc1 ZINC001182796418 1122187164 /nfs/dbraw/zinc/18/71/64/1122187164.db2.gz UKEMGYHIAWYZEN-UHFFFAOYSA-N 0 1 295.411 3.682 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C2CCCCCC2)c1 ZINC000272094366 1122190014 /nfs/dbraw/zinc/19/00/14/1122190014.db2.gz LMNZZJWFZNMMKK-UHFFFAOYSA-N 0 1 275.348 3.504 20 0 CHADMN Cc1ncc([C@H](C)NC2(c3cccc(F)c3)CC2)c(C)n1 ZINC000272135928 1122191188 /nfs/dbraw/zinc/19/11/88/1122191188.db2.gz LZMYMGDSVCABRE-LBPRGKRZSA-N 0 1 285.366 3.572 20 0 CHADMN CCCCN(Cc1ccc(C)nc1Cl)C1CC1 ZINC000688555397 1129037347 /nfs/dbraw/zinc/03/73/47/1129037347.db2.gz LIAURRWXUMOYMT-UHFFFAOYSA-N 0 1 252.789 3.808 20 0 CHADMN COc1cccc(C2(N[C@@H](C)c3cncc(F)c3)CC2)c1 ZINC000272154795 1122192089 /nfs/dbraw/zinc/19/20/89/1122192089.db2.gz AZHHGTHAKVDODK-LBPRGKRZSA-N 0 1 286.350 3.569 20 0 CHADMN CCCC[C@@H](COC)Nc1nc(C)ccc1CC ZINC001182875041 1122193314 /nfs/dbraw/zinc/19/33/14/1122193314.db2.gz WQUMXMHIAQOZGH-AWEZNQCLSA-N 0 1 250.386 3.570 20 0 CHADMN COCC[C@H](NCc1ccc(F)cc1)c1ccc(C)o1 ZINC000272224057 1122194845 /nfs/dbraw/zinc/19/48/45/1122194845.db2.gz FBJDBZKVLKVFRZ-HNNXBMFYSA-N 0 1 277.339 3.595 20 0 CHADMN COCC[C@H](NCc1cccc(F)c1)c1ccc(C)o1 ZINC000272225652 1122195295 /nfs/dbraw/zinc/19/52/95/1122195295.db2.gz FIJIERCTLSJRJP-HNNXBMFYSA-N 0 1 277.339 3.595 20 0 CHADMN CCNc1ccccc1CN1CCc2cc(OC)ccc2C1 ZINC001182911017 1122195494 /nfs/dbraw/zinc/19/54/94/1122195494.db2.gz UFYHFKZLSKARAC-UHFFFAOYSA-N 0 1 296.414 3.685 20 0 CHADMN Cc1ccc(CN2CCOC[C@H]2Cc2ccccc2)cc1C ZINC001204357063 1122195782 /nfs/dbraw/zinc/19/57/82/1122195782.db2.gz LVPJWADBKGMJHF-HXUWFJFHSA-N 0 1 295.426 3.747 20 0 CHADMN COCC[C@H](NCc1ccsc1)c1ccc(C)o1 ZINC000272363286 1122200150 /nfs/dbraw/zinc/20/01/50/1122200150.db2.gz WMEJCYGSPYUQEM-ZDUSSCGKSA-N 0 1 265.378 3.517 20 0 CHADMN COCC[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccco1 ZINC000272414868 1122200953 /nfs/dbraw/zinc/20/09/53/1122200953.db2.gz HCGLELNVBJLGCJ-JKSUJKDBSA-N 0 1 289.350 3.773 20 0 CHADMN COCC[C@H](N[C@@H](C)c1cccc(F)c1)c1ccco1 ZINC000272427069 1122202845 /nfs/dbraw/zinc/20/28/45/1122202845.db2.gz IXZOKLMHCMUHMS-WFASDCNBSA-N 0 1 277.339 3.847 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000272588718 1122206241 /nfs/dbraw/zinc/20/62/41/1122206241.db2.gz RONVMOCBFYEPFL-YUMQZZPRSA-N 0 1 285.338 3.667 20 0 CHADMN C[C@H](NCc1ccnc(F)c1)c1nccc2ccccc21 ZINC001183144655 1122207764 /nfs/dbraw/zinc/20/77/64/1122207764.db2.gz AWIIWQGQMAYCQN-LBPRGKRZSA-N 0 1 281.334 3.620 20 0 CHADMN COCC[C@@H](NC/C=C/c1ccccc1)c1ccco1 ZINC000272633863 1122208587 /nfs/dbraw/zinc/20/85/87/1122208587.db2.gz YGDZMUGTODBXTM-DXWDOBMASA-N 0 1 271.360 3.660 20 0 CHADMN FC(F)SCc1ccc(CN2CCCSCC2)o1 ZINC000272710229 1122210583 /nfs/dbraw/zinc/21/05/83/1122210583.db2.gz CJLXRGCXJORLBG-UHFFFAOYSA-N 0 1 293.404 3.674 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)Cc3cccc(C)c3C)ccc12 ZINC001183257714 1122214604 /nfs/dbraw/zinc/21/46/04/1122214604.db2.gz NRILEKLUMCHFKQ-UHFFFAOYSA-N 0 1 293.370 3.669 20 0 CHADMN CC1(C)CN(Cc2c(Cl)ccc3cccnc32)C1 ZINC001183355914 1122218813 /nfs/dbraw/zinc/21/88/13/1122218813.db2.gz YEOWDBSAZRQMRY-UHFFFAOYSA-N 0 1 260.768 3.730 20 0 CHADMN Cc1cc(N(C)C)ncc1C[C@H](C)c1ccccc1 ZINC001250111284 1122219956 /nfs/dbraw/zinc/21/99/56/1122219956.db2.gz UFEYHZUQRFBMKQ-ZDUSSCGKSA-N 0 1 254.377 3.802 20 0 CHADMN CC[C@@H]1[C@@H](C)CCN1CN1c2cccc3cccc(c23)C1=O ZINC000774624810 1122220780 /nfs/dbraw/zinc/22/07/80/1122220780.db2.gz MEWBBWINJCNCHU-XJKSGUPXSA-N 0 1 294.398 3.878 20 0 CHADMN O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)[C@H]1C[C@@H]1F ZINC001183387713 1122220979 /nfs/dbraw/zinc/22/09/79/1122220979.db2.gz DVQVQZHKOJRMND-STQMWFEESA-N 0 1 295.317 3.526 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccc3c2OCO3)cc1C ZINC000273128403 1122221473 /nfs/dbraw/zinc/22/14/73/1122221473.db2.gz ZHVZDMFPAYMRMI-CYBMUJFWSA-N 0 1 299.370 3.583 20 0 CHADMN COc1ccnc(CN[C@@H](C)c2cc(C)cc(C)c2)c1 ZINC000273214533 1122224598 /nfs/dbraw/zinc/22/45/98/1122224598.db2.gz ULYMKEWXZLWDKF-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN Clc1ccc2nc(NCc3ccc4c(n3)CCC4)[nH]c2c1 ZINC001203573191 1122232946 /nfs/dbraw/zinc/23/29/46/1122232946.db2.gz WQPYLEHVFYZQBA-UHFFFAOYSA-N 0 1 298.777 3.712 20 0 CHADMN CC(C)N(C)C(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000273597987 1122239596 /nfs/dbraw/zinc/23/95/96/1122239596.db2.gz OCFRHPMQEOBPHW-UHFFFAOYSA-N 0 1 299.399 3.772 20 0 CHADMN Oc1cccc(CN2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000153510189 1129040706 /nfs/dbraw/zinc/04/07/06/1129040706.db2.gz ZIOMNZHYLHNQBE-QGZVFWFLSA-N 0 1 271.335 3.868 20 0 CHADMN CCSCCN[C@H](c1cccc(C)c1)c1ccccn1 ZINC000273660260 1122241924 /nfs/dbraw/zinc/24/19/24/1122241924.db2.gz DVTXPYQFQSNBOM-QGZVFWFLSA-N 0 1 286.444 3.822 20 0 CHADMN CC(C)(CC1CCC1)C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC001183932186 1122244854 /nfs/dbraw/zinc/24/48/54/1122244854.db2.gz RSKRAIWXXCIZNH-UHFFFAOYSA-N 0 1 298.390 3.627 20 0 CHADMN C[C@@H]1CC[C@H]([NH2+]CCc2c(F)cc([O-])cc2F)[C@@H](C)C1 ZINC001183972613 1122249479 /nfs/dbraw/zinc/24/94/79/1122249479.db2.gz VWRVHJINURBFDH-GDLVEWKHSA-N 0 1 283.362 3.627 20 0 CHADMN CC[C@H](F)CN[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503403996 1122260392 /nfs/dbraw/zinc/26/03/92/1122260392.db2.gz GLEMYQVTVNSGNQ-LEWSCRJBSA-N 0 1 255.764 3.913 20 0 CHADMN CC[C@@H](CC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1)C(C)(C)C ZINC000632199323 1129042095 /nfs/dbraw/zinc/04/20/95/1129042095.db2.gz WSPFHJLBKAMOMP-NEPJUHHUSA-N 0 1 294.443 3.568 20 0 CHADMN CC[C@H]1CN(CCCOc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000600696126 1122263330 /nfs/dbraw/zinc/26/33/30/1122263330.db2.gz OMRVBPBUAJDMIE-HIFRSBDPSA-N 0 1 297.826 3.608 20 0 CHADMN CC[C@@]1(C)CCC[C@@H]1NCC(F)(F)C1(O)CCCCC1 ZINC001184275505 1122268565 /nfs/dbraw/zinc/26/85/65/1122268565.db2.gz APBLCZPKKHJNHU-KBPBESRZSA-N 0 1 289.410 3.875 20 0 CHADMN CCc1ccc2c(c1)CN(Cc1cncc(OC)c1C)CC2 ZINC001184418168 1122275340 /nfs/dbraw/zinc/27/53/40/1122275340.db2.gz MBMHQJSONUVDBF-UHFFFAOYSA-N 0 1 296.414 3.519 20 0 CHADMN COCC[C@H](NC/C=C\c1ccc(F)cc1)c1ccco1 ZINC000503904528 1122277819 /nfs/dbraw/zinc/27/78/19/1122277819.db2.gz WWEBRLWTXLDVNW-OUMXJLHTSA-N 0 1 289.350 3.799 20 0 CHADMN Fc1ccc(CN2CC[C@@H](c3ccccc3Cl)C2)cn1 ZINC001137740995 1122289571 /nfs/dbraw/zinc/28/95/71/1122289571.db2.gz KFMNPXJNPRJPRG-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN CN(Cc1ccc2c(c1)CCCC2)Cc1ccccn1 ZINC000430075452 1122290425 /nfs/dbraw/zinc/29/04/25/1122290425.db2.gz BFIMAEHXRGRJJY-UHFFFAOYSA-N 0 1 266.388 3.592 20 0 CHADMN CCCCCC[C@H](C)NC(=O)COc1cc(C)nc(C)c1 ZINC000774779587 1122295727 /nfs/dbraw/zinc/29/57/27/1122295727.db2.gz UWDCEQATWQSPGS-ZDUSSCGKSA-N 0 1 292.423 3.552 20 0 CHADMN CCCCCN(CCCCC)C(=O)c1oc(CN)cc1C ZINC000637874252 1122302154 /nfs/dbraw/zinc/30/21/54/1122302154.db2.gz GGLFVWFWXPWCAH-UHFFFAOYSA-N 0 1 294.439 3.869 20 0 CHADMN C[C@@H](Cc1ccccc1)c1cc(C(=O)N(C)C(C)(C)C)n[nH]1 ZINC001184983947 1122303009 /nfs/dbraw/zinc/30/30/09/1122303009.db2.gz GZMXVLJEZHFQEI-ZDUSSCGKSA-N 0 1 299.418 3.626 20 0 CHADMN C[C@@H](NC(=O)Nc1cccc(Cl)c1O)c1ccccc1 ZINC001185012516 1122307074 /nfs/dbraw/zinc/30/70/74/1122307074.db2.gz IRDSYCAQLVAXOD-SNVBAGLBSA-N 0 1 290.750 3.928 20 0 CHADMN C[C@]1(CCNc2cc[nH+]c3c([O-])cccc23)CC1(F)F ZINC000664400590 1122342560 /nfs/dbraw/zinc/34/25/60/1122342560.db2.gz ZBABBSBZALLSHT-AWEZNQCLSA-N 0 1 278.302 3.788 20 0 CHADMN O=C(Nc1cccnc1)Nc1c(Cl)ccc(O)c1Cl ZINC001185693733 1122355568 /nfs/dbraw/zinc/35/55/68/1122355568.db2.gz UCGGEMGKTOPXMI-UHFFFAOYSA-N 0 1 298.129 3.738 20 0 CHADMN Clc1ncccc1CNCc1ccc2ncccc2c1 ZINC000192979398 1129049319 /nfs/dbraw/zinc/04/93/19/1129049319.db2.gz QJDVLBFUTFACQW-UHFFFAOYSA-N 0 1 283.762 3.573 20 0 CHADMN C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](C)CC1 ZINC000514099926 1122379580 /nfs/dbraw/zinc/37/95/80/1122379580.db2.gz OSQUGVXPAZSJAU-ZIAGYGMSSA-N 0 1 285.391 3.920 20 0 CHADMN CC(C)SCCN1CCc2ccc(Cl)cc2C1 ZINC000514122793 1122380902 /nfs/dbraw/zinc/38/09/02/1122380902.db2.gz OBIATFOJDLTDIV-UHFFFAOYSA-N 0 1 269.841 3.840 20 0 CHADMN COc1c(F)ccc(CCN2CCCCC2)c1Cl ZINC001250241064 1122391405 /nfs/dbraw/zinc/39/14/05/1122391405.db2.gz BQIIVXZWXMAELZ-UHFFFAOYSA-N 0 1 271.763 3.516 20 0 CHADMN CCCOc1cc(CCN2CCCCC2)c(Cl)cn1 ZINC001250242610 1122394903 /nfs/dbraw/zinc/39/49/03/1122394903.db2.gz WLWYUXCPQJFQOY-UHFFFAOYSA-N 0 1 282.815 3.552 20 0 CHADMN CCOC1CC(Sc2nnc(CCC3CCCC3)[nH]2)C1 ZINC000430089639 1122399180 /nfs/dbraw/zinc/39/91/80/1122399180.db2.gz KOXJZLIJPSRPGF-UHFFFAOYSA-N 0 1 295.452 3.587 20 0 CHADMN CCOC1CC(Sc2nc(CCC3CCCC3)n[nH]2)C1 ZINC000430089639 1122399184 /nfs/dbraw/zinc/39/91/84/1122399184.db2.gz KOXJZLIJPSRPGF-UHFFFAOYSA-N 0 1 295.452 3.587 20 0 CHADMN CC(C)[C@H]1N(Cc2cnn(C(C)(C)C)c2)CC12CCC2 ZINC000430097812 1122403281 /nfs/dbraw/zinc/40/32/81/1122403281.db2.gz HWDHSRCMYCSFNK-OAHLLOKOSA-N 0 1 275.440 3.649 20 0 CHADMN Cc1ccc(CCCN2CC(C)(C)[C@@H]2c2cccnc2)cn1 ZINC000430094626 1122403464 /nfs/dbraw/zinc/40/34/64/1122403464.db2.gz MZFMLUMNNPLBHO-SFHVURJKSA-N 0 1 295.430 3.801 20 0 CHADMN CC(C)[C@H]1N(Cc2ccc(Cl)o2)CC12CCC2 ZINC000430107102 1122405669 /nfs/dbraw/zinc/40/56/69/1122405669.db2.gz OXMBCKSBZZJTHH-CYBMUJFWSA-N 0 1 253.773 3.944 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)C[C@H](O)c1ccccc1F ZINC000079829569 1129053013 /nfs/dbraw/zinc/05/30/13/1129053013.db2.gz JRSDNMNOUXSYGC-SJCJKPOMSA-N 0 1 291.341 3.691 20 0 CHADMN Cc1cc(C(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c(C)[nH]1 ZINC000434904540 1122420614 /nfs/dbraw/zinc/42/06/14/1122420614.db2.gz ONEJFNPYPQURNZ-NVXWUHKLSA-N 0 1 296.414 3.692 20 0 CHADMN COc1ccccc1CN1CC[C@H]1c1ccccc1 ZINC000434982391 1122425071 /nfs/dbraw/zinc/42/50/71/1122425071.db2.gz LBPFDYRIAVZDJK-INIZCTEOSA-N 0 1 253.345 3.642 20 0 CHADMN Fc1ccc(C2(NC3CCCCCCC3)COC2)cc1 ZINC001258236491 1129053876 /nfs/dbraw/zinc/05/38/76/1129053876.db2.gz ZDZQWRGOCSOYKM-UHFFFAOYSA-N 0 1 277.383 3.754 20 0 CHADMN C[C@H]1CCC[C@H](NCc2noc(-c3ccccc3F)n2)C1 ZINC000435036884 1122429199 /nfs/dbraw/zinc/42/91/99/1122429199.db2.gz WMMWRAWTGOOPPA-RYUDHWBXSA-N 0 1 289.354 3.544 20 0 CHADMN CCc1ccc(CN(C)Cc2cccc(OC)c2OC)cc1 ZINC000505601293 1122434081 /nfs/dbraw/zinc/43/40/81/1122434081.db2.gz DSYRWGBLNFARQK-UHFFFAOYSA-N 0 1 299.414 3.898 20 0 CHADMN COc1ccc(CN(C)Cc2ccccc2OC)cc1C ZINC000505603304 1122434111 /nfs/dbraw/zinc/43/41/11/1122434111.db2.gz CRNXSMWMAZLFHD-UHFFFAOYSA-N 0 1 285.387 3.644 20 0 CHADMN C[C@@H]1CN(Cc2ccc(-c3cc[nH]n3)o2)[C@H]1c1ccccc1 ZINC000435128223 1122437430 /nfs/dbraw/zinc/43/74/30/1122437430.db2.gz GCYJBSHSDDTHMM-FZKQIMNGSA-N 0 1 293.370 3.863 20 0 CHADMN Cc1nc2sccn2c1CN(C)Cc1ccc(C)cc1 ZINC000505611533 1122437585 /nfs/dbraw/zinc/43/75/85/1122437585.db2.gz PWGATIYMAVDUOR-UHFFFAOYSA-N 0 1 285.416 3.645 20 0 CHADMN Cc1ccoc1CN(C)C/C=C/c1ccc(F)cc1 ZINC000430136918 1122440372 /nfs/dbraw/zinc/44/03/72/1122440372.db2.gz XICUIHARPGJMGA-ONEGZZNKSA-N 0 1 259.324 3.872 20 0 CHADMN CC(C)c1ncc(CN2CCOC[C@@H](C3CCC3)C2)s1 ZINC000430123112 1122440571 /nfs/dbraw/zinc/44/05/71/1122440571.db2.gz OYOCQXVGHRHDQJ-AWEZNQCLSA-N 0 1 294.464 3.515 20 0 CHADMN Cc1ccoc1CN(C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000430127346 1122441652 /nfs/dbraw/zinc/44/16/52/1122441652.db2.gz PFDFQLBZRNUPCP-UHFFFAOYSA-N 0 1 299.349 3.749 20 0 CHADMN CCN(CC(=O)NC(C)(C)C)Cc1ccc2ccccc2c1 ZINC000505631235 1122444254 /nfs/dbraw/zinc/44/42/54/1122444254.db2.gz CMNKQINNGYHJPB-UHFFFAOYSA-N 0 1 298.430 3.576 20 0 CHADMN Cc1ccccc1-c1cc(C(=O)N(CC2CC2)C(C)C)n[nH]1 ZINC001187971267 1122447911 /nfs/dbraw/zinc/44/79/11/1122447911.db2.gz HEKTXDDKLGVNDR-UHFFFAOYSA-N 0 1 297.402 3.646 20 0 CHADMN Clc1cnn(CSc2nc3ccc(Cl)cc3[nH]2)c1 ZINC001187981087 1122449329 /nfs/dbraw/zinc/44/93/29/1122449329.db2.gz OVWIUZKNVVERBC-UHFFFAOYSA-N 0 1 299.186 3.816 20 0 CHADMN Cc1ccc(NC(=O)Nc2c(O)cc(F)cc2F)cc1F ZINC001187985443 1122449372 /nfs/dbraw/zinc/44/93/72/1122449372.db2.gz FTAVLKNQEPSYBZ-UHFFFAOYSA-N 0 1 296.248 3.762 20 0 CHADMN CC(C)N(Cc1cncn1C(C)C)Cc1ccccc1 ZINC000425324929 1122452746 /nfs/dbraw/zinc/45/27/46/1122452746.db2.gz NCYOQPDNRHCZQI-UHFFFAOYSA-N 0 1 271.408 3.875 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1cncn1C(C)C ZINC000425330302 1122455073 /nfs/dbraw/zinc/45/50/73/1122455073.db2.gz AMIYVDPNAUBRCU-MHWRWJLKSA-N 0 1 283.419 3.999 20 0 CHADMN FCCCCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000505666400 1122459572 /nfs/dbraw/zinc/45/95/72/1122459572.db2.gz WMCRTPHZWFIDGJ-CMDGGOBGSA-N 0 1 277.368 3.817 20 0 CHADMN C[C@@H]1c2cccn2CCN1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000505689486 1122463706 /nfs/dbraw/zinc/46/37/06/1122463706.db2.gz HVJRIHNXGSDAOR-HYVNUMGLSA-N 0 1 266.388 3.668 20 0 CHADMN COc1cc(Cl)c(-c2csc([C@@H](C)N)n2)cc1OC ZINC000435440393 1122466637 /nfs/dbraw/zinc/46/66/37/1122466637.db2.gz WIDYWKWINOWIPX-SSDOTTSWSA-N 0 1 298.795 3.500 20 0 CHADMN CC[C@@H](C)c1ccc(NS(=O)(=O)c2ccoc2)cc1 ZINC001188569424 1122467391 /nfs/dbraw/zinc/46/73/91/1122467391.db2.gz JRQBZASIIOWINJ-LLVKDONJSA-N 0 1 279.361 3.594 20 0 CHADMN CC(C)(C)c1nc(CSC[C@H]2CC2(Cl)Cl)n[nH]1 ZINC001188650117 1122470510 /nfs/dbraw/zinc/47/05/10/1122470510.db2.gz JQNXYRCACRJZGP-SSDOTTSWSA-N 0 1 294.251 3.529 20 0 CHADMN C[C@@H](F)CCSc1nnc(CCC2CCCC2)[nH]1 ZINC000505706542 1122473465 /nfs/dbraw/zinc/47/34/65/1122473465.db2.gz OKAKVAARNUTPRQ-SNVBAGLBSA-N 0 1 271.405 3.768 20 0 CHADMN C[C@@H](F)CCSc1nc(CCC2CCCC2)n[nH]1 ZINC000505706542 1122473467 /nfs/dbraw/zinc/47/34/67/1122473467.db2.gz OKAKVAARNUTPRQ-SNVBAGLBSA-N 0 1 271.405 3.768 20 0 CHADMN C[C@@H]1[C@@H](C(=O)Nc2ccc3nc[nH]c3c2)[C@H]1c1ccccc1 ZINC000435618289 1122478576 /nfs/dbraw/zinc/47/85/76/1122478576.db2.gz SMIGOHUEGPSCJA-YMRXKLBXSA-N 0 1 291.354 3.551 20 0 CHADMN CO[C@@H](CNC(C)(C)c1nc(C)cs1)c1ccccc1 ZINC000284294078 1122479446 /nfs/dbraw/zinc/47/94/46/1122479446.db2.gz GHQJPGLIEAKURK-AWEZNQCLSA-N 0 1 290.432 3.664 20 0 CHADMN Clc1cc2ccccc2c(CSc2cn[nH]n2)c1 ZINC001188854634 1122480268 /nfs/dbraw/zinc/48/02/68/1122480268.db2.gz URPKYKUYTNMVFE-UHFFFAOYSA-N 0 1 275.764 3.904 20 0 CHADMN CSc1ccc2nc(-c3c(C)noc3C)[nH]c2c1 ZINC000435685773 1122481511 /nfs/dbraw/zinc/48/15/11/1122481511.db2.gz PYMNEVGMDFWOJS-UHFFFAOYSA-N 0 1 259.334 3.557 20 0 CHADMN COc1c(O)cccc1-c1nc2ccc(SC)cc2[nH]1 ZINC000435705227 1122484340 /nfs/dbraw/zinc/48/43/40/1122484340.db2.gz MIGHWIFISSRWBU-UHFFFAOYSA-N 0 1 286.356 3.666 20 0 CHADMN CCCN(CCC)C(=O)CN(C)[C@@H](C)c1ccc(C)cc1 ZINC000515251200 1122485363 /nfs/dbraw/zinc/48/53/63/1122485363.db2.gz CEGOHDOTEVWCNF-INIZCTEOSA-N 0 1 290.451 3.636 20 0 CHADMN CC[C@]1(C)C[N@@H+](CCCCCOc2ccccc2)CCO1 ZINC001205425575 1122485738 /nfs/dbraw/zinc/48/57/38/1122485738.db2.gz AIAAXAUUGYQKMG-GOSISDBHSA-N 0 1 291.435 3.737 20 0 CHADMN CCN(C(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000032369614 1122502566 /nfs/dbraw/zinc/50/25/66/1122502566.db2.gz SXLVICVVRCYIBB-UHFFFAOYSA-N 0 1 291.354 3.743 20 0 CHADMN Cc1cnc(CN([C@H](C)c2ccccc2)C2CC2)cn1 ZINC000505775945 1122525518 /nfs/dbraw/zinc/52/55/18/1122525518.db2.gz GUVUOFWWXWEXJE-CQSZACIVSA-N 0 1 267.376 3.511 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1cccc(C(C)(C)C)c1 ZINC001190138649 1122526382 /nfs/dbraw/zinc/52/63/82/1122526382.db2.gz QDFZDCKHPAFPNB-UHFFFAOYSA-N 0 1 271.364 3.522 20 0 CHADMN Cc1nc([C@@H](C)Sc2nc3cc(C)ccc3s2)n[nH]1 ZINC001190129408 1122527234 /nfs/dbraw/zinc/52/72/34/1122527234.db2.gz QQQHHXRPVATBSC-MRVPVSSYSA-N 0 1 290.417 3.885 20 0 CHADMN CCCCN(CC(=O)Nc1ccc(C)c(Cl)c1)C1CC1 ZINC001190347567 1122533269 /nfs/dbraw/zinc/53/32/69/1122533269.db2.gz DSBLKMAMMAFRAV-UHFFFAOYSA-N 0 1 294.826 3.851 20 0 CHADMN FCCN[C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000436290774 1122533799 /nfs/dbraw/zinc/53/37/99/1122533799.db2.gz ZQUYVDVRQDICSY-JTQLQIEISA-N 0 1 278.154 3.766 20 0 CHADMN CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccoc2)cc1 ZINC001190432795 1122538481 /nfs/dbraw/zinc/53/84/81/1122538481.db2.gz YTZJJLPUPLPCSS-UHFFFAOYSA-N 0 1 293.388 3.768 20 0 CHADMN Cc1cccc(Cl)c1C[N@H+]1[C@H](C)CC[C@H](C(=O)[O-])[C@@H]1C ZINC000515869506 1122546950 /nfs/dbraw/zinc/54/69/50/1122546950.db2.gz CBURHHLCEPKFFS-AGIUHOORSA-N 0 1 295.810 3.722 20 0 CHADMN CCCN(CCOC1CCC1)Cc1ccc(F)cc1F ZINC001190605015 1122547914 /nfs/dbraw/zinc/54/79/14/1122547914.db2.gz JYGCIRXJJKFOJH-UHFFFAOYSA-N 0 1 283.362 3.746 20 0 CHADMN FC(F)(F)COCCN1CCC[C@H]1/C=C/c1ccccc1 ZINC000505825894 1122551285 /nfs/dbraw/zinc/55/12/85/1122551285.db2.gz OKMJQNKDLRFMCX-HVHJFMEUSA-N 0 1 299.336 3.743 20 0 CHADMN CC[C@H](C)[C@@H](C)N1CCO[C@@H](c2ccccc2F)C1 ZINC001190790701 1122555335 /nfs/dbraw/zinc/55/53/35/1122555335.db2.gz CSPCNWQIPXEYRU-WOSRLPQWSA-N 0 1 265.372 3.634 20 0 CHADMN COc1cc(CN(Cc2ccccc2)CC(C)(C)C)on1 ZINC001190913605 1122562056 /nfs/dbraw/zinc/56/20/56/1122562056.db2.gz MMGDCGRQZUIEPO-UHFFFAOYSA-N 0 1 288.391 3.732 20 0 CHADMN CCCC1CCC(N(C)C(=O)c2c(O)cccc2F)CC1 ZINC000436601091 1122565587 /nfs/dbraw/zinc/56/55/87/1122565587.db2.gz BJHSUMGKLNHJFN-UHFFFAOYSA-N 0 1 293.382 3.962 20 0 CHADMN CC1(C)CO[C@H](CN2CCC[C@H]2c2ccc(F)c(F)c2)C1 ZINC001191039525 1122566372 /nfs/dbraw/zinc/56/63/72/1122566372.db2.gz QPTNKMYZLHNRCU-BBRMVZONSA-N 0 1 295.373 3.917 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(O)c(Cl)c1 ZINC000436637710 1122566478 /nfs/dbraw/zinc/56/64/78/1122566478.db2.gz AMURWGHSQMJEGZ-SUNKGSAMSA-N 0 1 293.794 3.839 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C[C@@H](C)C(C)(C)C)c1 ZINC000436653524 1122567777 /nfs/dbraw/zinc/56/77/77/1122567777.db2.gz APJNUKHCEYZVLT-LLVKDONJSA-N 0 1 291.391 3.996 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C23CCC(CC2)C3)c1 ZINC000436645686 1122569471 /nfs/dbraw/zinc/56/94/71/1122569471.db2.gz MNSKTUASPPDHKZ-UHFFFAOYSA-N 0 1 287.359 3.504 20 0 CHADMN C[C@@H]1C[C@@H]1CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000516119033 1122570749 /nfs/dbraw/zinc/57/07/49/1122570749.db2.gz AKEIEBOEGNKZDP-GHMZBOCLSA-N 0 1 295.342 3.808 20 0 CHADMN C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc(O)c(Cl)c1 ZINC000436683007 1122571836 /nfs/dbraw/zinc/57/18/36/1122571836.db2.gz SHHRXJFHSJKUCV-NWDGAFQWSA-N 0 1 295.810 3.992 20 0 CHADMN CCN(Cc1cnn(-c2ccccc2)c1)Cc1ccccc1 ZINC000505867822 1122573548 /nfs/dbraw/zinc/57/35/48/1122573548.db2.gz JECOIMFVEDVDIH-UHFFFAOYSA-N 0 1 291.398 3.894 20 0 CHADMN COc1cc(CN2CCC[C@H]2/C=C/c2ccccc2)ccn1 ZINC000505869889 1122575184 /nfs/dbraw/zinc/57/51/84/1122575184.db2.gz QNFQODLDQFJPKW-BBVFFXRHSA-N 0 1 294.398 3.768 20 0 CHADMN COC[C@H](NC/C=C/Cl)c1cccc(C(F)(F)F)c1 ZINC000775442691 1122582310 /nfs/dbraw/zinc/58/23/10/1122582310.db2.gz IGHIGBSUSJXOIW-UXONFWTHSA-N 0 1 293.716 3.735 20 0 CHADMN CC[C@]1(C)CCCN(Cc2ccncc2Br)C1 ZINC001191213745 1122583355 /nfs/dbraw/zinc/58/33/55/1122583355.db2.gz KEFQFKYSMZXMIJ-CQSZACIVSA-N 0 1 297.240 3.856 20 0 CHADMN C[C@@H]1c2c(F)cccc2CCN1C[C@H]1CC(C)(C)CO1 ZINC001191175922 1122583615 /nfs/dbraw/zinc/58/36/15/1122583615.db2.gz UYXASGHSPAAWHW-TZMCWYRMSA-N 0 1 277.383 3.560 20 0 CHADMN CC1(C)CN(C(=O)c2ccc(O)c(Cl)c2)CC(C)(C)C1 ZINC000436810009 1122584271 /nfs/dbraw/zinc/58/42/71/1122584271.db2.gz VVKGJKZQTLQMSX-UHFFFAOYSA-N 0 1 295.810 3.944 20 0 CHADMN O=C(Nc1c(O)cc(F)cc1F)NC1CCCCCC1 ZINC001191268325 1122588263 /nfs/dbraw/zinc/58/82/63/1122588263.db2.gz JTMHWISGQKOJMW-UHFFFAOYSA-N 0 1 284.306 3.515 20 0 CHADMN CC(=O)Nc1cccc(CN[C@H](c2ccccn2)C(C)C)c1 ZINC000775451255 1122591180 /nfs/dbraw/zinc/59/11/80/1122591180.db2.gz ZPPXQZANBHBXKB-SFHVURJKSA-N 0 1 297.402 3.527 20 0 CHADMN CC(C)=CC[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC001191367707 1122596426 /nfs/dbraw/zinc/59/64/26/1122596426.db2.gz UCUHDLKENAALFI-QGZVFWFLSA-N 0 1 272.436 3.780 20 0 CHADMN Cc1cc2cccnc2c(NC(=O)c2c(O)cccc2F)c1 ZINC000436986041 1122602113 /nfs/dbraw/zinc/60/21/13/1122602113.db2.gz DYIWUIYRWZZBHS-UHFFFAOYSA-N 0 1 296.301 3.640 20 0 CHADMN CC(C)[C@H]1CCN(Cc2csc(Br)c2)C1 ZINC001191541651 1122604809 /nfs/dbraw/zinc/60/48/09/1122604809.db2.gz VLWWMFWRAHINAM-NSHDSACASA-N 0 1 288.254 3.989 20 0 CHADMN Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccccc1CF ZINC001191636337 1122607707 /nfs/dbraw/zinc/60/77/07/1122607707.db2.gz PSZTXZPAQSMOHW-UHFFFAOYSA-N 0 1 280.774 3.780 20 0 CHADMN CN(Cc1cc(Cl)cn1C)Cc1ccccc1CF ZINC001191636337 1122607710 /nfs/dbraw/zinc/60/77/10/1122607710.db2.gz PSZTXZPAQSMOHW-UHFFFAOYSA-N 0 1 280.774 3.780 20 0 CHADMN Cc1cccc(CN(CCC2(O)CCC2)Cc2ccco2)c1 ZINC001191646629 1122609131 /nfs/dbraw/zinc/60/91/31/1122609131.db2.gz QYAXMLBPQLBHCC-UHFFFAOYSA-N 0 1 299.414 3.895 20 0 CHADMN Cc1ccnc([C@@H]2CCN(Cc3cccc(F)c3F)C2)c1 ZINC000516580246 1122614121 /nfs/dbraw/zinc/61/41/21/1122614121.db2.gz FAPPXASOYJKMLR-CYBMUJFWSA-N 0 1 288.341 3.658 20 0 CHADMN CC1(C)CCCN1Cc1cccc(F)c1Br ZINC000158062186 1122620545 /nfs/dbraw/zinc/62/05/45/1122620545.db2.gz CUXSXJZVQRNKIV-UHFFFAOYSA-N 0 1 286.188 3.963 20 0 CHADMN CC(C)COCCN(Cc1ccccc1F)C1CCC1 ZINC001192213804 1122632770 /nfs/dbraw/zinc/63/27/70/1122632770.db2.gz LMCBHNPOBGNTCO-UHFFFAOYSA-N 0 1 279.399 3.853 20 0 CHADMN COCCN(Cc1cccs1)Cc1ccc(C)c(F)c1 ZINC000506055892 1122636981 /nfs/dbraw/zinc/63/69/81/1122636981.db2.gz OOJVYPFLQCHXFT-UHFFFAOYSA-N 0 1 293.407 3.844 20 0 CHADMN CCc1ccc(-c2noc(CN(C)[C@@H](C)C3(C)CC3)n2)cc1 ZINC000437503737 1122638325 /nfs/dbraw/zinc/63/83/25/1122638325.db2.gz JMEYEXKISWOQBQ-ZDUSSCGKSA-N 0 1 299.418 3.919 20 0 CHADMN CC1(C)CCC[C@@H](CN2CCc3c(F)cccc3C2)O1 ZINC001192305557 1122639688 /nfs/dbraw/zinc/63/96/88/1122639688.db2.gz YANKALAMIXQQAX-AWEZNQCLSA-N 0 1 277.383 3.532 20 0 CHADMN CC[C@H](c1ccccc1)N(CC(=O)OC)C[C@@H]1C[C@H]1CC ZINC001192370146 1122641797 /nfs/dbraw/zinc/64/17/97/1122641797.db2.gz PNIVZGITZXDYMF-HYVNUMGLSA-N 0 1 289.419 3.659 20 0 CHADMN CC1CC(C[N@@H+](C)Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001192412476 1122645483 /nfs/dbraw/zinc/64/54/83/1122645483.db2.gz JFTVPODVTLTAGM-UHFFFAOYSA-N 0 1 269.392 3.555 20 0 CHADMN CC1CC(CN(C)Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001192412476 1122645484 /nfs/dbraw/zinc/64/54/84/1122645484.db2.gz JFTVPODVTLTAGM-UHFFFAOYSA-N 0 1 269.392 3.555 20 0 CHADMN Cc1ccc(CN(C)C[C@@H](C)c2nccs2)c(Cl)n1 ZINC000838930151 1122650239 /nfs/dbraw/zinc/65/02/39/1122650239.db2.gz RXWWZSZXZUHLSC-SNVBAGLBSA-N 0 1 295.839 3.735 20 0 CHADMN C[C@@H](NCc1cccc2c1OC(F)(F)O2)c1ccccc1 ZINC001192547156 1122650980 /nfs/dbraw/zinc/65/09/80/1122650980.db2.gz PRHBULCPPKKRKE-LLVKDONJSA-N 0 1 291.297 3.859 20 0 CHADMN C[C@H](c1ccc2c(c1)CCC2)N1CC[C@@H](C)[C@@H](F)C1 ZINC001192545779 1122652089 /nfs/dbraw/zinc/65/20/89/1122652089.db2.gz GXCSJGYDSQWKJW-XNJGSVPQSA-N 0 1 261.384 3.916 20 0 CHADMN Cc1ccc(-c2nc3ccc(N(C)C)cc3[nH]2)cc1 ZINC001250480688 1122652227 /nfs/dbraw/zinc/65/22/27/1122652227.db2.gz RGCSFPBDEQCUSY-UHFFFAOYSA-N 0 1 251.333 3.604 20 0 CHADMN C[C@H](c1ccc2c(c1)CCC2)N1CC[C@@H](C)[C@H](F)C1 ZINC001192545778 1122652308 /nfs/dbraw/zinc/65/23/08/1122652308.db2.gz GXCSJGYDSQWKJW-PBFPGSCMSA-N 0 1 261.384 3.916 20 0 CHADMN COc1ccsc1CN(C)CCOc1cccc(C)c1 ZINC000506150620 1122659876 /nfs/dbraw/zinc/65/98/76/1122659876.db2.gz KAEBYPJQOOWSJW-UHFFFAOYSA-N 0 1 291.416 3.576 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@H](C)c1cc2ccc(C)cc2o1 ZINC000425932457 1122663583 /nfs/dbraw/zinc/66/35/83/1122663583.db2.gz QATVCIAITTTXFN-CYBMUJFWSA-N 0 1 297.402 3.942 20 0 CHADMN Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(C2CC2)cc1F ZINC000425938953 1122670594 /nfs/dbraw/zinc/67/05/94/1122670594.db2.gz BHFUOGYBFYLMGL-KRWDZBQOSA-N 0 1 299.393 3.604 20 0 CHADMN C[C@]1(c2ccccc2)CC[C@@H](N2CCOC3(CCC3)C2)C1 ZINC000438128714 1122681871 /nfs/dbraw/zinc/68/18/71/1122681871.db2.gz PLHGAMVSNJEHBK-MSOLQXFVSA-N 0 1 285.431 3.752 20 0 CHADMN Cc1cccc2c1CN(Cc1ccc(F)cc1)CC2 ZINC001193354938 1122685897 /nfs/dbraw/zinc/68/58/97/1122685897.db2.gz JZSSFBPUWNZMKU-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN CC1(C)CN(C/C=C\c2ccncc2)CC2(CCCC2)O1 ZINC000425972502 1122689002 /nfs/dbraw/zinc/68/90/02/1122689002.db2.gz AWNDSNQSAXJVHI-WAYWQWQTSA-N 0 1 286.419 3.518 20 0 CHADMN C[C@H]1CCN(Cc2cc(Cl)cs2)CCS1 ZINC000425972786 1122689033 /nfs/dbraw/zinc/68/90/33/1122689033.db2.gz CHTNCMNHPNLFCQ-VIFPVBQESA-N 0 1 261.843 3.729 20 0 CHADMN Cc1nc(CN2CCCC3(CCCC3)C2)cs1 ZINC000438344637 1122693796 /nfs/dbraw/zinc/69/37/96/1122693796.db2.gz JDRNEPLWNAJHBE-UHFFFAOYSA-N 0 1 250.411 3.608 20 0 CHADMN Cc1oc2ccccc2c1CN1CCc2ncsc2C1 ZINC000438379263 1122695536 /nfs/dbraw/zinc/69/55/36/1122695536.db2.gz XLJZRQDLEDRJGN-UHFFFAOYSA-N 0 1 284.384 3.756 20 0 CHADMN O=C(Nc1cccc2c1CCCC2)c1cccc2nc[nH]c21 ZINC000438576018 1122711484 /nfs/dbraw/zinc/71/14/84/1122711484.db2.gz FCNBLVIVKXSSDV-UHFFFAOYSA-N 0 1 291.354 3.694 20 0 CHADMN Cc1cc(C)c(NC(=O)c2ccc(F)c(O)c2F)cc1C ZINC001193789354 1122717597 /nfs/dbraw/zinc/71/75/97/1122717597.db2.gz OTFLKGRQFOJGDZ-UHFFFAOYSA-N 0 1 291.297 3.848 20 0 CHADMN COc1ccsc1CN(C)[C@H](C)c1ccc(OC)cc1 ZINC000506327497 1122719850 /nfs/dbraw/zinc/71/98/50/1122719850.db2.gz UGVXPQPHGJFPAO-GFCCVEGCSA-N 0 1 291.416 3.958 20 0 CHADMN Fc1cccc2c1CN(CCC1CCCC1)CCO2 ZINC001193797011 1122721226 /nfs/dbraw/zinc/72/12/26/1122721226.db2.gz KAFYLHBGCSXCNP-UHFFFAOYSA-N 0 1 263.356 3.600 20 0 CHADMN CC(F)(F)CCCN1CC[C@@](F)(c2ccccc2)C1 ZINC001193826615 1122722766 /nfs/dbraw/zinc/72/27/66/1122722766.db2.gz GJKZBBWPPDMZBG-HNNXBMFYSA-N 0 1 271.326 3.993 20 0 CHADMN CC1=C(Br)CN(CCCC(C)C)CC1 ZINC001193880595 1122723706 /nfs/dbraw/zinc/72/37/06/1122723706.db2.gz FDHXZNVJVWGQMO-UHFFFAOYSA-N 0 1 260.219 3.797 20 0 CHADMN CCc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000506357924 1122724420 /nfs/dbraw/zinc/72/44/20/1122724420.db2.gz VPHNMIJLNWPNPO-LJQANCHMSA-N 0 1 281.399 3.823 20 0 CHADMN CCc1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000506357924 1122724424 /nfs/dbraw/zinc/72/44/24/1122724424.db2.gz VPHNMIJLNWPNPO-LJQANCHMSA-N 0 1 281.399 3.823 20 0 CHADMN C(=C/c1ccncc1)\CN1Cc2ccccc2C2(CC2)C1 ZINC000426160418 1122725367 /nfs/dbraw/zinc/72/53/67/1122725367.db2.gz KTKYPQZYOCQCRB-ONEGZZNKSA-N 0 1 276.383 3.642 20 0 CHADMN CC1CCC(N(Cn2cccnc2=S)C2CC2)CC1 ZINC000193385233 1129073966 /nfs/dbraw/zinc/07/39/66/1129073966.db2.gz OKGCFWDIDMAIPZ-UHFFFAOYSA-N 0 1 277.437 3.613 20 0 CHADMN Cc1cc([C@@H](C)NC[C@H](C)c2ccc(F)cc2F)no1 ZINC000438829208 1122730321 /nfs/dbraw/zinc/73/03/21/1122730321.db2.gz ZHHSTVVHAXIRCN-GXSJLCMTSA-N 0 1 280.318 3.716 20 0 CHADMN Cc1cccc2nc(CNCc3ccc([C@@H]4C[C@@H]4C)o3)[nH]c21 ZINC000153635265 1129074084 /nfs/dbraw/zinc/07/40/84/1129074084.db2.gz CFEOQKDYHPJMQH-GXTWGEPZSA-N 0 1 295.386 3.878 20 0 CHADMN C[C@H](C1CC1)N(Cc1ccccc1)Cn1cccnc1=S ZINC000193385939 1129074225 /nfs/dbraw/zinc/07/42/25/1129074225.db2.gz PQIVBOJPLFFTDZ-CQSZACIVSA-N 0 1 299.443 3.871 20 0 CHADMN Cc1ccccc1[C@@H](CO)NCc1c(C)cccc1Cl ZINC000578412572 1122752753 /nfs/dbraw/zinc/75/27/53/1122752753.db2.gz VIYBQAXFKCXHGJ-QGZVFWFLSA-N 0 1 289.806 3.780 20 0 CHADMN CCn1cc([C@@H](C)N[C@H](C)c2nccc3ccccc32)cn1 ZINC000296056712 1122762387 /nfs/dbraw/zinc/76/23/87/1122762387.db2.gz VMXRETHJUMLAFH-ZIAGYGMSSA-N 0 1 294.402 3.863 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@H]2CCCc3c(O)cccc32)cn1 ZINC000518637874 1122774479 /nfs/dbraw/zinc/77/44/79/1122774479.db2.gz XXJGYIMVXHVWBA-GUYCJALGSA-N 0 1 299.418 3.898 20 0 CHADMN COc1c(O)cccc1C[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000426369424 1122776337 /nfs/dbraw/zinc/77/63/37/1122776337.db2.gz FEDBSLRUBRVHCZ-NTCAYCPXSA-N 0 1 297.398 3.936 20 0 CHADMN COc1c(O)cccc1CN(C)C/C(C)=C/c1ccccc1 ZINC000426369424 1122776341 /nfs/dbraw/zinc/77/63/41/1122776341.db2.gz FEDBSLRUBRVHCZ-NTCAYCPXSA-N 0 1 297.398 3.936 20 0 CHADMN C[C@@H]1CCN(Cc2cc3c(cccc3F)[nH]2)CCS1 ZINC000426376436 1122777896 /nfs/dbraw/zinc/77/78/96/1122777896.db2.gz DVNXVKYUROMXRS-LLVKDONJSA-N 0 1 278.396 3.634 20 0 CHADMN CC(C)[C@H]1N(Cc2cccc(F)c2F)CC12CCOCC2 ZINC000518725303 1122781873 /nfs/dbraw/zinc/78/18/73/1122781873.db2.gz NJARUTHSWYHKMK-MRXNPFEDSA-N 0 1 295.373 3.602 20 0 CHADMN CCCc1csc(CN(C)[C@H](C)CCSC)n1 ZINC000426400621 1122783442 /nfs/dbraw/zinc/78/34/42/1122783442.db2.gz JGRAATNIXYKUJZ-LLVKDONJSA-N 0 1 272.483 3.669 20 0 CHADMN CSCCC[N@@H+](C)Cc1nc(-c2ccsc2)oc1C ZINC000439481628 1122784525 /nfs/dbraw/zinc/78/45/25/1122784525.db2.gz KJTCDPOGBXHUTG-UHFFFAOYSA-N 0 1 296.461 3.896 20 0 CHADMN CSCCCN(C)Cc1nc(-c2ccsc2)oc1C ZINC000439481628 1122784529 /nfs/dbraw/zinc/78/45/29/1122784529.db2.gz KJTCDPOGBXHUTG-UHFFFAOYSA-N 0 1 296.461 3.896 20 0 CHADMN CC1(C)CCc2onc(CN3CCC[C@H]3C3CC3)c2C1 ZINC001307455957 1122790880 /nfs/dbraw/zinc/79/08/80/1122790880.db2.gz WACBDMHLSYXAPN-HNNXBMFYSA-N 0 1 274.408 3.564 20 0 CHADMN c1csc(-c2cnc(CN3CC[C@@H]4CCC[C@@H]43)o2)c1 ZINC000426453394 1122797618 /nfs/dbraw/zinc/79/76/18/1122797618.db2.gz GAPFOLYGFNZIEV-RYUDHWBXSA-N 0 1 274.389 3.778 20 0 CHADMN CCCn1c(C)cc(C(=O)CN2CC[C@@H]3CCC[C@H]32)c1C ZINC000426462932 1122799242 /nfs/dbraw/zinc/79/92/42/1122799242.db2.gz UVLQCQPQZONEFR-DOTOQJQBSA-N 0 1 288.435 3.572 20 0 CHADMN CC[C@H](C)COC(=O)Nc1cnccc1N1CCCCC1 ZINC001194771765 1122803390 /nfs/dbraw/zinc/80/33/90/1122803390.db2.gz IHTNCCKQVWNQJF-ZDUSSCGKSA-N 0 1 291.395 3.667 20 0 CHADMN FC1(F)Oc2cccc(CN3CCC[C@H](C4CC4)C3)c2O1 ZINC001194805248 1122805242 /nfs/dbraw/zinc/80/52/42/1122805242.db2.gz IAZVQHYRLZBMLF-LBPRGKRZSA-N 0 1 295.329 3.630 20 0 CHADMN COc1ccc(CN(C)[C@@H]2CC2(C)C)c(Cl)c1OC ZINC000426547732 1122818558 /nfs/dbraw/zinc/81/85/58/1122818558.db2.gz GLKBTMISHOYXRS-GFCCVEGCSA-N 0 1 283.799 3.588 20 0 CHADMN CC[C@@H](NC[C@H](O)c1ccc(Cl)cc1)c1nccs1 ZINC000080280398 1129080385 /nfs/dbraw/zinc/08/03/85/1129080385.db2.gz UUTLWUNJPVWUPQ-OLZOCXBDSA-N 0 1 296.823 3.571 20 0 CHADMN Cc1ccc(-c2ncc(CN(C)[C@@H]3CC3(C)C)s2)o1 ZINC000426571084 1122824705 /nfs/dbraw/zinc/82/47/05/1122824705.db2.gz RMOJBJQTWFABKU-CYBMUJFWSA-N 0 1 276.405 3.942 20 0 CHADMN Cc1ccoc1CN(C)CCOc1ccc(Cl)cc1 ZINC000506759836 1122825102 /nfs/dbraw/zinc/82/51/02/1122825102.db2.gz SDXSADMEYVLAQO-UHFFFAOYSA-N 0 1 279.767 3.752 20 0 CHADMN COC[C@H](N[C@@H](C)c1nc(C(C)(C)C)cs1)C(C)C ZINC000154015016 1129080866 /nfs/dbraw/zinc/08/08/66/1129080866.db2.gz RJHXRICUBKPNCD-RYUDHWBXSA-N 0 1 284.469 3.762 20 0 CHADMN C[C@H](NCc1ccc2cc[nH]c2c1)c1cncc(F)c1 ZINC001195002961 1122831569 /nfs/dbraw/zinc/83/15/69/1122831569.db2.gz YHKVADZFPCVWCA-NSHDSACASA-N 0 1 269.323 3.553 20 0 CHADMN COc1ncc(CN2[C@H](C)CCC2(C)C)cc1Cl ZINC001195074420 1122839298 /nfs/dbraw/zinc/83/92/98/1122839298.db2.gz ISJLAYLYCCYUHJ-SNVBAGLBSA-N 0 1 268.788 3.507 20 0 CHADMN C[N@@H+](Cc1ccc(F)cc1F)C1CCC(F)(F)CC1 ZINC000519447070 1122840166 /nfs/dbraw/zinc/84/01/66/1122840166.db2.gz ABFDVCMMBKWSIN-UHFFFAOYSA-N 0 1 275.289 3.975 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1cccc2c1NCCC2 ZINC000894423455 1122850522 /nfs/dbraw/zinc/85/05/22/1122850522.db2.gz SDNLVGAWIZPYKG-AWEZNQCLSA-N 0 1 281.403 3.633 20 0 CHADMN CCCSC[C@H](C)N[C@@H](C)c1c(F)cncc1F ZINC000894434904 1122853006 /nfs/dbraw/zinc/85/30/06/1122853006.db2.gz KOMOAHQEERMFOX-UWVGGRQHSA-N 0 1 274.380 3.542 20 0 CHADMN Cc1n[nH]cc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC001250621474 1122852991 /nfs/dbraw/zinc/85/29/91/1122852991.db2.gz JUVCVJDCLVVXOE-UHFFFAOYSA-N 0 1 267.119 3.568 20 0 CHADMN C[C@H]1Cc2cc(CN3CCC[C@@H]3c3cccnc3)ccc2O1 ZINC000894448972 1122854732 /nfs/dbraw/zinc/85/47/32/1122854732.db2.gz IBSYOSGJDLTHLZ-KBXCAEBGSA-N 0 1 294.398 3.742 20 0 CHADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1nccc(Cl)c1Cl ZINC001195289227 1122861171 /nfs/dbraw/zinc/86/11/71/1122861171.db2.gz LDPCEESKPZCJRK-KXUCPTDWSA-N 0 1 273.207 3.865 20 0 CHADMN CO[C@H](CN1CC(C)(C)[C@@H]1c1cccnc1)c1ccccc1 ZINC000664819026 1122862124 /nfs/dbraw/zinc/86/21/24/1122862124.db2.gz KAWGHZOFUANIIV-MSOLQXFVSA-N 0 1 296.414 3.852 20 0 CHADMN CCN(Cc1cnn(CC)c1)Cc1cccc(Cl)c1 ZINC000154159962 1129083320 /nfs/dbraw/zinc/08/33/20/1129083320.db2.gz BNUWCYLWNCJBKQ-UHFFFAOYSA-N 0 1 277.799 3.579 20 0 CHADMN Cc1nc(CN2CC3(CCC3)[C@@H]2C2CC2)sc1C ZINC000894543796 1122870784 /nfs/dbraw/zinc/87/07/84/1122870784.db2.gz DMZHFKBDRUXBRV-AWEZNQCLSA-N 0 1 262.422 3.524 20 0 CHADMN C=C/C=C\CCN[C@H](Cc1ccccc1)c1ncco1 ZINC001195557745 1122875822 /nfs/dbraw/zinc/87/58/22/1122875822.db2.gz KLNHHOHSDIADCX-MJSXRHKHSA-N 0 1 268.360 3.680 20 0 CHADMN C[C@@H]1CCCN(Cc2nc(C(C)(C)C)cs2)C1 ZINC000154122599 1129083780 /nfs/dbraw/zinc/08/37/80/1129083780.db2.gz KPNFCYHBNZJNFI-LLVKDONJSA-N 0 1 252.427 3.673 20 0 CHADMN CC(C)(N[C@H]1CCOC2(CCCCC2)C1)C(F)F ZINC000894603012 1122877873 /nfs/dbraw/zinc/87/78/73/1122877873.db2.gz IVXRPGOJHXAMQY-NSHDSACASA-N 0 1 261.356 3.502 20 0 CHADMN CC(C)[C@H]1N(Cc2ccnn2C2CCC2)CC12CCC2 ZINC000894584926 1122878669 /nfs/dbraw/zinc/87/86/69/1122878669.db2.gz NQTQNJDKZRQYNW-MRXNPFEDSA-N 0 1 273.424 3.619 20 0 CHADMN CC(C)(C)OC(=O)CN(CCCC(C)(F)F)C1CCC1 ZINC001195639131 1122879598 /nfs/dbraw/zinc/87/95/98/1122879598.db2.gz RSNQJJWSCSGIAM-UHFFFAOYSA-N 0 1 291.382 3.618 20 0 CHADMN CC[C@@H]1CN(CCSc2cccc(Cl)c2)[C@@H](C)CO1 ZINC001195749386 1122887378 /nfs/dbraw/zinc/88/73/78/1122887378.db2.gz SFEAGLIOHSIERM-GXTWGEPZSA-N 0 1 299.867 3.931 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N(Cc2nc(C3CCCC3)no2)C1 ZINC000154257207 1129085225 /nfs/dbraw/zinc/08/52/25/1129085225.db2.gz KCDBSPBICDLNCC-CHWSQXEVSA-N 0 1 277.412 3.738 20 0 CHADMN COc1ccc(Cl)cc1CN1C[C@H]2CCCC[C@H]21 ZINC001195835092 1122892234 /nfs/dbraw/zinc/89/22/34/1122892234.db2.gz ZJGJEAHCUBSMSF-BXUZGUMPSA-N 0 1 265.784 3.723 20 0 CHADMN C[C@@H]1CCC[C@H](C)N(Cc2nc(C3CCCC3)no2)C1 ZINC000154256942 1129085308 /nfs/dbraw/zinc/08/53/08/1129085308.db2.gz KCDBSPBICDLNCC-OLZOCXBDSA-N 0 1 277.412 3.738 20 0 CHADMN O=C1[C@@H]2CCCCCC2=NN1c1ccccc1C(F)(F)F ZINC000620796611 1129090084 /nfs/dbraw/zinc/09/00/84/1129090084.db2.gz RXBXXUPARWERMA-SNVBAGLBSA-N 0 1 296.292 3.988 20 0 CHADMN O=c1c2c([nH]n1-c1ccccc1C(F)(F)F)CCCCC2 ZINC000620796611 1129090089 /nfs/dbraw/zinc/09/00/89/1129090089.db2.gz RXBXXUPARWERMA-SNVBAGLBSA-N 0 1 296.292 3.988 20 0 CHADMN COC(=O)CN(Cc1ccc(C)cc1C)C1CCCCC1 ZINC001195963296 1122898108 /nfs/dbraw/zinc/89/81/08/1122898108.db2.gz KAGFGPWWIZVKRT-UHFFFAOYSA-N 0 1 289.419 3.611 20 0 CHADMN Clc1n[nH]c(C2CC2)c1CN1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000894735356 1122900299 /nfs/dbraw/zinc/90/02/99/1122900299.db2.gz IARDMGIXXQOWEY-DOMZBBRYSA-N 0 1 291.826 3.561 20 0 CHADMN CCC[C@H]1CCCC[C@@H]1NCc1nnc(C(C)(C)C)o1 ZINC000775677708 1122901058 /nfs/dbraw/zinc/90/10/58/1122901058.db2.gz IGRVBOLJMYXTAN-STQMWFEESA-N 0 1 279.428 3.816 20 0 CHADMN CC(C)c1cnc(CN[C@@H]2CCCCC2(C)C)o1 ZINC000775681594 1122901651 /nfs/dbraw/zinc/90/16/51/1122901651.db2.gz CRLZJHBYBYGBHA-CYBMUJFWSA-N 0 1 250.386 3.856 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1cccc2c1NCCC2 ZINC000894757011 1122902424 /nfs/dbraw/zinc/90/24/24/1122902424.db2.gz QGPGDOKSOJSALS-UHFFFAOYSA-N 0 1 299.418 3.674 20 0 CHADMN CCCn1cc(CN2CC=C(c3ccccc3)CC2)cn1 ZINC000159754870 1122903232 /nfs/dbraw/zinc/90/32/32/1122903232.db2.gz VZBNTDJIXNJATM-UHFFFAOYSA-N 0 1 281.403 3.582 20 0 CHADMN Cc1cc(C)c(CNCc2ccc(CC(C)C)nc2)cn1 ZINC000894776463 1122903327 /nfs/dbraw/zinc/90/33/27/1122903327.db2.gz WYLZCYOOIVSZLW-UHFFFAOYSA-N 0 1 283.419 3.582 20 0 CHADMN FC(F)n1ccnc1CN[C@@H](CC1CC1)c1ccccc1 ZINC000608064365 1122904780 /nfs/dbraw/zinc/90/47/80/1122904780.db2.gz UFDUDVJZKAOTGT-AWEZNQCLSA-N 0 1 291.345 3.909 20 0 CHADMN CC[C@@H](c1cccc(OC)c1)N(C)Cc1ocnc1C ZINC000894784329 1122905272 /nfs/dbraw/zinc/90/52/72/1122905272.db2.gz IURVYOGMHXGJTR-HNNXBMFYSA-N 0 1 274.364 3.575 20 0 CHADMN Cc1ccc([C@H]([NH2+]Cc2ccc(Cl)s2)C(=O)[O-])cc1 ZINC000426701122 1122909855 /nfs/dbraw/zinc/90/98/55/1122909855.db2.gz YCAGBWNDNGJGRG-ZDUSSCGKSA-N 0 1 295.791 3.625 20 0 CHADMN C[C@]1(C(F)F)CN(CCCC2CCCCC2)CCO1 ZINC001196314914 1122915580 /nfs/dbraw/zinc/91/55/80/1122915580.db2.gz YGJLXVTUYXICEI-OAHLLOKOSA-N 0 1 275.383 3.703 20 0 CHADMN Cc1cc(C)c(C[NH2+][C@H](C(=O)[O-])c2ccsc2)cc1C ZINC000426782274 1122915835 /nfs/dbraw/zinc/91/58/35/1122915835.db2.gz FIYHYHFHHJECLF-HNNXBMFYSA-N 0 1 289.400 3.589 20 0 CHADMN CCCCC[C@@H](CC)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000775709274 1122916861 /nfs/dbraw/zinc/91/68/61/1122916861.db2.gz RYGPZYSWAZBPJD-LLVKDONJSA-N 0 1 290.367 3.610 20 0 CHADMN CC[C@H]1CCCC[C@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000507021369 1122920106 /nfs/dbraw/zinc/92/01/06/1122920106.db2.gz JKVKTVOCMBXTQQ-DTWKUNHWSA-N 0 1 289.301 3.583 20 0 CHADMN CN(Cc1nc(C(C)(C)C)cs1)C[C@@H]1CC1(C)C ZINC001196459490 1122923970 /nfs/dbraw/zinc/92/39/70/1122923970.db2.gz USRIKUBXRRFSEO-NSHDSACASA-N 0 1 266.454 3.919 20 0 CHADMN CC(C)CCO[C@@H]1CC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC001196517805 1122924907 /nfs/dbraw/zinc/92/49/07/1122924907.db2.gz FQTSEZLDPRKPCA-FGTMMUONSA-N 0 1 291.410 3.819 20 0 CHADMN CC[C@@H](C(=O)Nc1ccc(C)cc1)N1CCC(C)(F)CC1 ZINC001196583001 1122927602 /nfs/dbraw/zinc/92/76/02/1122927602.db2.gz LYBWBAPACJJJOU-HNNXBMFYSA-N 0 1 292.398 3.536 20 0 CHADMN CCc1cnc(CNC[C@H]2CCCCC2(F)F)s1 ZINC000394920648 1122929444 /nfs/dbraw/zinc/92/94/44/1122929444.db2.gz VMEQCAHXEBBHLQ-SNVBAGLBSA-N 0 1 274.380 3.621 20 0 CHADMN O=c1cc(N=C2CCC(C(F)(F)F)CC2)nc(C2CC2)[nH]1 ZINC001196769209 1122931696 /nfs/dbraw/zinc/93/16/96/1122931696.db2.gz ZUJCDYWLKPCABT-SECBINFHSA-N 0 1 299.296 3.718 20 0 CHADMN Cc1ncc(N=C2CCC(C(F)(F)F)CC2)nc1C ZINC001196767431 1122931707 /nfs/dbraw/zinc/93/17/07/1122931707.db2.gz LRFGMYCWCSFREY-SNVBAGLBSA-N 0 1 271.286 3.752 20 0 CHADMN COc1cccnc1NC1=CC[C@H](C(F)(F)F)CC1 ZINC001196767491 1122931797 /nfs/dbraw/zinc/93/17/97/1122931797.db2.gz LZKXUAPKMXDGPN-VIFPVBQESA-N 0 1 272.270 3.748 20 0 CHADMN Cc1noc(C)c1NC1=CC[C@H](C(F)(F)F)CC1 ZINC001196768569 1122932042 /nfs/dbraw/zinc/93/20/42/1122932042.db2.gz RYNKSLOAICIJGL-VIFPVBQESA-N 0 1 260.259 3.950 20 0 CHADMN COc1ccc(Cl)c(CN2CCC(CCF)CC2)c1 ZINC001196758195 1122933086 /nfs/dbraw/zinc/93/30/86/1122933086.db2.gz DAJLNAGYMGPPCF-UHFFFAOYSA-N 0 1 285.790 3.920 20 0 CHADMN CC(C)N(C)c1ccccc1CN[C@H](C)c1ccccn1 ZINC000427000743 1122934419 /nfs/dbraw/zinc/93/44/19/1122934419.db2.gz PWQWQKPWONLURP-OAHLLOKOSA-N 0 1 283.419 3.777 20 0 CHADMN C[C@@H](CN(C)Cc1ccncc1F)C1CCCCC1 ZINC001196818682 1122935286 /nfs/dbraw/zinc/93/52/86/1122935286.db2.gz NHYHEAXRFUGBOJ-ZDUSSCGKSA-N 0 1 264.388 3.869 20 0 CHADMN COCCN(Cc1ccccc1OC1CCCC1)C1CC1 ZINC000507173436 1122936031 /nfs/dbraw/zinc/93/60/31/1122936031.db2.gz MNDKPIXBCLHJRF-UHFFFAOYSA-N 0 1 289.419 3.619 20 0 CHADMN Fc1cccc([C@@H]2CCCN2Cc2cccc3c2OCO3)c1 ZINC000507173288 1122936066 /nfs/dbraw/zinc/93/60/66/1122936066.db2.gz LIFDHALEMCQBFK-INIZCTEOSA-N 0 1 299.345 3.892 20 0 CHADMN Cc1nccc(C[N@H+](C)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000507190498 1122937292 /nfs/dbraw/zinc/93/72/92/1122937292.db2.gz LPKGGUNDRFHCAF-NSHDSACASA-N 0 1 275.783 3.631 20 0 CHADMN Cc1nccc(CN(C)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000507190498 1122937293 /nfs/dbraw/zinc/93/72/93/1122937293.db2.gz LPKGGUNDRFHCAF-NSHDSACASA-N 0 1 275.783 3.631 20 0 CHADMN CC[N@@H+](Cc1cnc(-c2ccc(C)o2)s1)C1CC1 ZINC000507221102 1122938059 /nfs/dbraw/zinc/93/80/59/1122938059.db2.gz FGWPVYGIDGYJBF-UHFFFAOYSA-N 0 1 262.378 3.696 20 0 CHADMN CCN(Cc1cnc(-c2ccc(C)o2)s1)C1CC1 ZINC000507221102 1122938061 /nfs/dbraw/zinc/93/80/61/1122938061.db2.gz FGWPVYGIDGYJBF-UHFFFAOYSA-N 0 1 262.378 3.696 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccnn1C ZINC000507221627 1122940712 /nfs/dbraw/zinc/94/07/12/1122940712.db2.gz MICXPKCWLBCBIO-OAHLLOKOSA-N 0 1 277.799 3.657 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)N(C)Cc1ccnn1C ZINC000507221627 1122940714 /nfs/dbraw/zinc/94/07/14/1122940714.db2.gz MICXPKCWLBCBIO-OAHLLOKOSA-N 0 1 277.799 3.657 20 0 CHADMN CC[C@@H](NCCSC(C)(C)C)c1nccs1 ZINC000304265541 1122941389 /nfs/dbraw/zinc/94/13/89/1122941389.db2.gz CLEKLBBDGQCSSX-SNVBAGLBSA-N 0 1 258.456 3.716 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1conc1C ZINC000507252965 1122943100 /nfs/dbraw/zinc/94/31/00/1122943100.db2.gz OZXSCYOAFMXZPY-QGZVFWFLSA-N 0 1 286.375 3.501 20 0 CHADMN c1nc(CN2CCC[C@@H](C3CCC3)CC2)cs1 ZINC001197204148 1122948702 /nfs/dbraw/zinc/94/87/02/1122948702.db2.gz WWARWBATJNKCJF-CYBMUJFWSA-N 0 1 250.411 3.545 20 0 CHADMN CC(C)[C@H]1CCN1Cc1ccc(CSC(F)F)o1 ZINC000775764375 1122949651 /nfs/dbraw/zinc/94/96/51/1122949651.db2.gz JNQAUXCAMDCDFK-GFCCVEGCSA-N 0 1 275.364 3.966 20 0 CHADMN CC(C)CC[C@@H]1CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000427202692 1122950384 /nfs/dbraw/zinc/95/03/84/1122950384.db2.gz DDJAIQYCPIJJSY-ZDUSSCGKSA-N 0 1 285.391 3.604 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccc(C)cc1 ZINC000507473596 1122957568 /nfs/dbraw/zinc/95/75/68/1122957568.db2.gz VMRHGNZHCKHWGZ-AWEZNQCLSA-N 0 1 254.377 3.803 20 0 CHADMN Clc1ccc(CCCN2CCn3cccc3C2)cc1 ZINC001197622429 1122960754 /nfs/dbraw/zinc/96/07/54/1122960754.db2.gz UXERLVXWDHAHFR-UHFFFAOYSA-N 0 1 274.795 3.590 20 0 CHADMN Cc1noc2ncc(CNC(C)(C)c3ccccc3F)cc12 ZINC000894852104 1122968968 /nfs/dbraw/zinc/96/89/68/1122968968.db2.gz RLRBFSPLTPDVNX-UHFFFAOYSA-N 0 1 299.349 3.695 20 0 CHADMN CC(C)N(CCO)Cc1ccc(-c2ccccc2)cc1F ZINC000507619645 1122977387 /nfs/dbraw/zinc/97/73/87/1122977387.db2.gz KZJOUKTWHQEVBM-UHFFFAOYSA-N 0 1 287.378 3.695 20 0 CHADMN Cc1ncc(CN2CCC[C@@H]2c2ccsc2)s1 ZINC000334251641 1122977566 /nfs/dbraw/zinc/97/75/66/1122977566.db2.gz KPXRWUKFYONKMW-CYBMUJFWSA-N 0 1 264.419 3.850 20 0 CHADMN Cc1noc([C@@H]2CCCCN2C[C@@H]2CCCC(F)(F)C2)n1 ZINC000334265898 1122979190 /nfs/dbraw/zinc/97/91/90/1122979190.db2.gz MXJCHOCRDOIUQW-OLZOCXBDSA-N 0 1 299.365 3.731 20 0 CHADMN CCCCC[N@@H+](Cc1ccc(C(=O)[O-])cn1)[C@H](C)CCC ZINC000578995290 1122980752 /nfs/dbraw/zinc/98/07/52/1122980752.db2.gz HJPBKLJULPZZQD-CQSZACIVSA-N 0 1 292.423 3.961 20 0 CHADMN Cc1cnc(-c2nc3ccc(C)c(C)c3[nH]2)c(C)c1 ZINC001251742120 1122983074 /nfs/dbraw/zinc/98/30/74/1122983074.db2.gz AACNTYGPBDAIPD-UHFFFAOYSA-N 0 1 251.333 3.859 20 0 CHADMN Clc1ccc(CN2CC[C@@H](COc3ccccc3)C2)o1 ZINC000507719181 1122989408 /nfs/dbraw/zinc/98/94/08/1122989408.db2.gz LKMPYQPTQZTWED-CYBMUJFWSA-N 0 1 291.778 3.834 20 0 CHADMN CCOC(=O)CC(C)(C)CNc1ccc2cnccc2c1 ZINC000839130448 1122992325 /nfs/dbraw/zinc/99/23/25/1122992325.db2.gz VDPSZCHXBPWJKT-UHFFFAOYSA-N 0 1 286.375 3.626 20 0 CHADMN Cc1nn(C)c(Cl)c1CN[C@H](c1cccs1)C1CC1 ZINC000775850889 1122992362 /nfs/dbraw/zinc/99/23/62/1122992362.db2.gz NILMFXCBFPBXLG-ZDUSSCGKSA-N 0 1 295.839 3.684 20 0 CHADMN Cc1nn(C)c(Cl)c1CN[C@@H](c1cccs1)C1CC1 ZINC000775850885 1122992509 /nfs/dbraw/zinc/99/25/09/1122992509.db2.gz NILMFXCBFPBXLG-CYBMUJFWSA-N 0 1 295.839 3.684 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2C)cc1Br ZINC000306315678 1122995893 /nfs/dbraw/zinc/99/58/93/1122995893.db2.gz QSPXOWVQPXCQKE-LLVKDONJSA-N 0 1 268.198 3.742 20 0 CHADMN COc1ccc(CN[C@H](C)c2ncccc2C)cc1Cl ZINC001198641634 1123003009 /nfs/dbraw/zinc/00/30/09/1123003009.db2.gz SYVSJNNRISFKIW-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@H]1CN(Cc2c[nH]nc2-c2ccsc2)CCC1(F)F ZINC000334386337 1123003225 /nfs/dbraw/zinc/00/32/25/1123003225.db2.gz NPGXMSCBKWGVPU-JTQLQIEISA-N 0 1 297.374 3.615 20 0 CHADMN CC[C@@H](NCc1cccnc1N(C)C)c1ccc(F)cc1 ZINC000154795707 1129092529 /nfs/dbraw/zinc/09/25/29/1129092529.db2.gz XTMRNUGUMBNZFB-MRXNPFEDSA-N 0 1 287.382 3.528 20 0 CHADMN C[C@H](c1cccc2ccccc21)N(C)Cc1ccn(C)n1 ZINC001198622034 1123004172 /nfs/dbraw/zinc/00/41/72/1123004172.db2.gz JJKQMSCLQASRRN-CQSZACIVSA-N 0 1 279.387 3.766 20 0 CHADMN Fc1ccc(CN2CCO[C@@H](c3ccccc3)CC2)cc1 ZINC001198707190 1123009375 /nfs/dbraw/zinc/00/93/75/1123009375.db2.gz SFVKEPKNPACOBH-GOSISDBHSA-N 0 1 285.362 3.789 20 0 CHADMN CC[C@H](F)CN1CCC[C@H](OCc2ccccc2F)C1 ZINC000440519020 1123009463 /nfs/dbraw/zinc/00/94/63/1123009463.db2.gz YQLSDDVSEXZQTL-GJZGRUSLSA-N 0 1 283.362 3.555 20 0 CHADMN Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000154803574 1129093092 /nfs/dbraw/zinc/09/30/92/1129093092.db2.gz DIQKWWHHAURUFL-KRWDZBQOSA-N 0 1 287.382 3.513 20 0 CHADMN Cc1nn(C)c(C)c1CN1CCC[C@H]1c1ccc(F)cc1 ZINC000154803574 1129093095 /nfs/dbraw/zinc/09/30/95/1129093095.db2.gz DIQKWWHHAURUFL-KRWDZBQOSA-N 0 1 287.382 3.513 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@@H]2c2ccc(OC)cc2)[nH]1 ZINC001203244178 1123012035 /nfs/dbraw/zinc/01/20/35/1123012035.db2.gz SWQVLNUGXCMJTJ-QGZVFWFLSA-N 0 1 299.418 3.626 20 0 CHADMN c1cc2cc(CN3CCCc4occc4C3)ccc2o1 ZINC000579042262 1123012840 /nfs/dbraw/zinc/01/28/40/1123012840.db2.gz KDJQSUZDUARRBO-UHFFFAOYSA-N 0 1 267.328 3.974 20 0 CHADMN Cc1oc(C[N@H+](C)CC[C@H]2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000519642354 1123013218 /nfs/dbraw/zinc/01/32/18/1123013218.db2.gz KMXUIAJJIIOFGR-GXTWGEPZSA-N 0 1 293.407 3.934 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2csc(C(=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000519712025 1123019697 /nfs/dbraw/zinc/01/96/97/1123019697.db2.gz VSJASAWEVYSAPF-XBFCOCLRSA-N 0 1 293.432 3.847 20 0 CHADMN Cc1cc(CNCc2cc(O)cc(Cl)c2)ccc1F ZINC001199078749 1123020644 /nfs/dbraw/zinc/02/06/44/1123020644.db2.gz TYTAECILIQRPLL-UHFFFAOYSA-N 0 1 279.742 3.783 20 0 CHADMN Cc1cccc(CN(C)CCOc2c(C)cccc2C)n1 ZINC000440662216 1123027426 /nfs/dbraw/zinc/02/74/26/1123027426.db2.gz RKRIEGAWLHTUNZ-UHFFFAOYSA-N 0 1 284.403 3.518 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C(C)C)C2CCCC2)[nH]1 ZINC000334466506 1123030217 /nfs/dbraw/zinc/03/02/17/1123030217.db2.gz DINVUZUCSFTDDO-UHFFFAOYSA-N 0 1 285.391 3.665 20 0 CHADMN CC[C@H](F)CN1CCC[C@@H]1c1ccccc1OC ZINC000440708937 1123031485 /nfs/dbraw/zinc/03/14/85/1123031485.db2.gz BAKWRVATACLJQR-GXTWGEPZSA-N 0 1 251.345 3.580 20 0 CHADMN CC[C@@H](F)CN(C)Cc1cccc(OC(F)(F)F)c1 ZINC000440782400 1123039537 /nfs/dbraw/zinc/03/95/37/1123039537.db2.gz KJNKTXRHFPZURI-LLVKDONJSA-N 0 1 279.277 3.765 20 0 CHADMN COc1cc(CNCc2ccc(C)cc2F)ccc1C ZINC001199784449 1123041389 /nfs/dbraw/zinc/04/13/89/1123041389.db2.gz RTZPBNXQTDUAMP-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN CCc1nc2c(s1)[C@@H](N(C)C[C@H](F)CC)CCC2 ZINC000440795975 1123041742 /nfs/dbraw/zinc/04/17/42/1123041742.db2.gz VFTPPEMRCQGKGR-PWSUYJOCSA-N 0 1 270.417 3.763 20 0 CHADMN Cc1cccc2nc(CNC(=O)C3CCC(C)(C)CC3)[nH]c21 ZINC000155044075 1129095802 /nfs/dbraw/zinc/09/58/02/1129095802.db2.gz MBNCJBKPUUAFTL-UHFFFAOYSA-N 0 1 299.418 3.704 20 0 CHADMN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1cnn(C)c1 ZINC000155016191 1129095960 /nfs/dbraw/zinc/09/59/60/1129095960.db2.gz JRBFIVGQLNNJIB-LLVKDONJSA-N 0 1 297.324 3.632 20 0 CHADMN c1ccc([C@H]2CCN(Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000155070098 1129096614 /nfs/dbraw/zinc/09/66/14/1129096614.db2.gz ZGCDNERWMBMHJG-HNNXBMFYSA-N 0 1 277.371 3.552 20 0 CHADMN O=C(OCc1ccc(Cl)s1)c1cccc2[nH]ncc21 ZINC000049055245 1123066986 /nfs/dbraw/zinc/06/69/86/1123066986.db2.gz NTLXLCOMANZCHC-UHFFFAOYSA-N 0 1 292.747 3.635 20 0 CHADMN FC(F)CS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000579230183 1123073114 /nfs/dbraw/zinc/07/31/14/1123073114.db2.gz FWFWSMXZJDQNBL-CYBMUJFWSA-N 0 1 271.376 3.649 20 0 CHADMN Cc1ncoc1CN1CCC[C@@H]1c1ccc(F)cc1C ZINC000894940754 1123091525 /nfs/dbraw/zinc/09/15/25/1123091525.db2.gz JJZVYLYXVPOTDH-OAHLLOKOSA-N 0 1 274.339 3.768 20 0 CHADMN CCc1nnc(SCCCOc2c(C)cccc2C)[nH]1 ZINC000112562248 1123092422 /nfs/dbraw/zinc/09/24/22/1123092422.db2.gz ZUTZHLRAQCJKFQ-UHFFFAOYSA-N 0 1 291.420 3.545 20 0 CHADMN CCc1n[nH]c(SCCCOc2c(C)cccc2C)n1 ZINC000112562248 1123092427 /nfs/dbraw/zinc/09/24/27/1123092427.db2.gz ZUTZHLRAQCJKFQ-UHFFFAOYSA-N 0 1 291.420 3.545 20 0 CHADMN Cc1nc(CN2CCCC(C)(C)C2)nc2ccccc12 ZINC000112702439 1123094661 /nfs/dbraw/zinc/09/46/61/1123094661.db2.gz ATRUFIJAWNMQNR-UHFFFAOYSA-N 0 1 269.392 3.560 20 0 CHADMN Oc1cccc2sc(CN3CC4(CC(F)C4)C3)cc21 ZINC000894976007 1123097035 /nfs/dbraw/zinc/09/70/35/1123097035.db2.gz GKJDMNVELHSFLK-UHFFFAOYSA-N 0 1 277.364 3.541 20 0 CHADMN FC(F)(F)c1n[nH]c2c1CCN(C[C@H]1CC=CCC1)C2 ZINC001201426338 1123100032 /nfs/dbraw/zinc/10/00/32/1123100032.db2.gz DEMGJKGMBCYFHP-GXFFZTMASA-N 0 1 285.313 3.699 20 0 CHADMN O=C(CCNCc1cscc1Cl)Nc1ccccc1 ZINC000776173874 1123101708 /nfs/dbraw/zinc/10/17/08/1123101708.db2.gz BZZCPBZLSKKSCA-UHFFFAOYSA-N 0 1 294.807 3.520 20 0 CHADMN COc1cc(CNCc2ccc(Cl)s2)cc(OC)c1 ZINC000070211794 1123105812 /nfs/dbraw/zinc/10/58/12/1123105812.db2.gz VUBHVKANAWJJFF-UHFFFAOYSA-N 0 1 297.807 3.709 20 0 CHADMN CC1(C)CCC(=CC(=O)Nc2nc(C3CCC3)n[nH]2)CC1 ZINC000760032280 1123106019 /nfs/dbraw/zinc/10/60/19/1123106019.db2.gz RPXJJHHWFFOAMP-UHFFFAOYSA-N 0 1 288.395 3.537 20 0 CHADMN CC1(C)CCC(=CC(=O)Nc2n[nH]c(C3CCC3)n2)CC1 ZINC000760032280 1123106020 /nfs/dbraw/zinc/10/60/20/1123106020.db2.gz RPXJJHHWFFOAMP-UHFFFAOYSA-N 0 1 288.395 3.537 20 0 CHADMN C[C@H](NCC12CCC(CC1)C2)c1nc(C(C)(C)C)no1 ZINC000328780521 1123110608 /nfs/dbraw/zinc/11/06/08/1123110608.db2.gz FKIIWTWNJAUOFZ-FZWSLVFFSA-N 0 1 277.412 3.598 20 0 CHADMN CC(C)CN1CCc2c(cccc2C(F)(F)F)C1 ZINC001201478628 1123114727 /nfs/dbraw/zinc/11/47/27/1123114727.db2.gz UURDSSOXPBGHDT-UHFFFAOYSA-N 0 1 257.299 3.720 20 0 CHADMN CC[C@@H]1CCC[C@H]1N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000330562731 1123120390 /nfs/dbraw/zinc/12/03/90/1123120390.db2.gz IWXBPCVKALPSRL-QJPTWQEYSA-N 0 1 265.401 3.596 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2cc(C)sc2C)o1 ZINC000268801102 1129100111 /nfs/dbraw/zinc/10/01/11/1129100111.db2.gz PVNQQPMGKOXZKI-NSHDSACASA-N 0 1 279.405 3.955 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1nnc(-c2ccccc2)s1 ZINC000155215889 1129100144 /nfs/dbraw/zinc/10/01/44/1129100144.db2.gz CXDABXPONJAAJL-CHWSQXEVSA-N 0 1 287.432 3.968 20 0 CHADMN CN(CC(F)F)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000152307069 1123125606 /nfs/dbraw/zinc/12/56/06/1123125606.db2.gz JUVIIBLGSHPZJW-UHFFFAOYSA-N 0 1 299.704 3.536 20 0 CHADMN CCCCN1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000441448212 1123128519 /nfs/dbraw/zinc/12/85/19/1123128519.db2.gz ORFXTJMVYDYTLU-RDJZCZTQSA-N 0 1 261.409 3.865 20 0 CHADMN Cc1nnsc1CN(Cc1ccccc1)CC(C)(C)C ZINC000579359317 1123130588 /nfs/dbraw/zinc/13/05/88/1123130588.db2.gz JRGODPIUVFULOJ-UHFFFAOYSA-N 0 1 289.448 3.895 20 0 CHADMN COc1ccsc1CN[C@@H]1CCCc2nc(C)sc21 ZINC001201617126 1123132088 /nfs/dbraw/zinc/13/20/88/1123132088.db2.gz DYMSEYQPCRRUAE-SNVBAGLBSA-N 0 1 294.445 3.689 20 0 CHADMN CC(C)CC[N@H+]1CCc2ccc(Br)cc2C1 ZINC001201624093 1123132916 /nfs/dbraw/zinc/13/29/16/1123132916.db2.gz VQHXJRVBELKZCT-UHFFFAOYSA-N 0 1 282.225 3.853 20 0 CHADMN CC(C)CCN1CCc2ccc(Br)cc2C1 ZINC001201624093 1123132917 /nfs/dbraw/zinc/13/29/17/1123132917.db2.gz VQHXJRVBELKZCT-UHFFFAOYSA-N 0 1 282.225 3.853 20 0 CHADMN CCCN1[C@@H](C(=O)OCC)CCC[C@@H]1c1ccccc1 ZINC001201648360 1123136093 /nfs/dbraw/zinc/13/60/93/1123136093.db2.gz VDEIDYBMFIQGTL-HZPDHXFCSA-N 0 1 275.392 3.555 20 0 CHADMN CC(=O)c1ccc2c(c1)CN([C@@H]1CCc3ccccc31)C2 ZINC000665061588 1123143774 /nfs/dbraw/zinc/14/37/74/1123143774.db2.gz TYLKEKZWIHTBAY-LJQANCHMSA-N 0 1 277.367 3.892 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1noc(-c2ccccc2)n1 ZINC000441478441 1123143954 /nfs/dbraw/zinc/14/39/54/1123143954.db2.gz STAPFQNWSFWGEU-BMFZPTHFSA-N 0 1 297.402 3.890 20 0 CHADMN Cc1cc(CN2CCc3nc[nH]c3C23CCC3)c(C)s1 ZINC000895068024 1123145038 /nfs/dbraw/zinc/14/50/38/1123145038.db2.gz FLMFUBMJBFTLGL-UHFFFAOYSA-N 0 1 287.432 3.526 20 0 CHADMN CCCC[C@H](O)CN1CCC[C@@H]1c1cc(F)ccc1F ZINC001252089847 1123151098 /nfs/dbraw/zinc/15/10/98/1123151098.db2.gz SPTQXXQLKUQQHF-XJKSGUPXSA-N 0 1 283.362 3.653 20 0 CHADMN CC[C@@H](CN1CCSC[C@@H]1c1ccc(Cl)cc1)OC ZINC001307465916 1123154808 /nfs/dbraw/zinc/15/48/08/1123154808.db2.gz HWYAKRCMJLTHQF-LSDHHAIUSA-N 0 1 299.867 3.855 20 0 CHADMN CCCN(Cc1nc(-c2cccc(Cl)c2)no1)C1CC1 ZINC000507767228 1123157730 /nfs/dbraw/zinc/15/77/30/1123157730.db2.gz QGHMEANCUBWURN-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN c1nc2cc(-c3noc([C@@H]4CC[C@H]5C[C@H]5C4)n3)ccc2[nH]1 ZINC000351314721 1123157783 /nfs/dbraw/zinc/15/77/83/1123157783.db2.gz BACVUKLQBVVFNI-WCQGTBRESA-N 0 1 280.331 3.517 20 0 CHADMN C[C@@H](NCc1cnc2ccccn12)c1cc2ccccc2o1 ZINC000190642825 1123167409 /nfs/dbraw/zinc/16/74/09/1123167409.db2.gz BLAUOJXCTCOBTH-CYBMUJFWSA-N 0 1 291.354 3.931 20 0 CHADMN CCc1nnc([C@H](C)N[C@@H]2CCC[C@@H]2c2ccccc2)o1 ZINC000133978939 1123169305 /nfs/dbraw/zinc/16/93/05/1123169305.db2.gz JQONQGZWOCILMU-NWANDNLSSA-N 0 1 285.391 3.619 20 0 CHADMN CCS[C@@H](C)c1noc(CN[C@@H]2CCCC2(C)C)n1 ZINC000191290230 1123170347 /nfs/dbraw/zinc/17/03/47/1123170347.db2.gz MSILXRIMXRWVKL-WDEREUQCSA-N 0 1 283.441 3.552 20 0 CHADMN CCCC[C@@H](O)CN1CCC[C@H]1c1ccc(F)cc1F ZINC001252098891 1123175198 /nfs/dbraw/zinc/17/51/98/1123175198.db2.gz XDYNCULMGVPPER-CJNGLKHVSA-N 0 1 283.362 3.653 20 0 CHADMN Cc1cc(C)c(/C=C\CN[C@@H](CCO)c2ccco2)c(C)c1 ZINC001202111309 1123178651 /nfs/dbraw/zinc/17/86/51/1123178651.db2.gz QHLMFBPGKLJOBT-SUZKBHRPSA-N 0 1 299.414 3.931 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Br)s2)[C@H]1C ZINC000307359982 1123185377 /nfs/dbraw/zinc/18/53/77/1123185377.db2.gz DQHKAZFOIZJCJW-IUCAKERBSA-N 0 1 274.227 3.741 20 0 CHADMN FC(F)(F)c1cnc2c(c1)[C@@H](NCc1ccoc1)CCC2 ZINC000427603260 1123186930 /nfs/dbraw/zinc/18/69/30/1123186930.db2.gz JMXZDDRUZRSAJR-ZDUSSCGKSA-N 0 1 296.292 3.861 20 0 CHADMN O=C(Nc1cccc(Cl)c1)Nc1ncc(Cl)cc1O ZINC001202238552 1123192390 /nfs/dbraw/zinc/19/23/90/1123192390.db2.gz FKFSJQUVYLAOAG-UHFFFAOYSA-N 0 1 298.129 3.738 20 0 CHADMN CC1(C)CC[C@@H]2C[C@H](NCc3cnccn3)c3cccc1c32 ZINC000334514337 1123196297 /nfs/dbraw/zinc/19/62/97/1123196297.db2.gz WPHHPYISADADCM-DYVFJYSZSA-N 0 1 293.414 3.866 20 0 CHADMN Cc1ccccc1O[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001202347800 1123197234 /nfs/dbraw/zinc/19/72/34/1123197234.db2.gz KWPJQMKVTCLCIL-CYBMUJFWSA-N 0 1 287.325 3.791 20 0 CHADMN Cc1sccc1CNc1ccc(F)c(-c2nc[nH]n2)c1 ZINC001202387018 1123200446 /nfs/dbraw/zinc/20/04/46/1123200446.db2.gz BRMIVPYJPMLKND-UHFFFAOYSA-N 0 1 288.351 3.593 20 0 CHADMN CCn1cncc1CN(C1CC1)[C@H]1CCc2ccccc21 ZINC000417733887 1123207359 /nfs/dbraw/zinc/20/73/59/1123207359.db2.gz JETVFRVRKYPTEE-SFHVURJKSA-N 0 1 281.403 3.555 20 0 CHADMN CCn1cncc1CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000417733886 1123207849 /nfs/dbraw/zinc/20/78/49/1123207849.db2.gz JETVFRVRKYPTEE-GOSISDBHSA-N 0 1 281.403 3.555 20 0 CHADMN CCc1cccc(F)c1CNc1ccc2c(n1)CCC2 ZINC001202445562 1123209026 /nfs/dbraw/zinc/20/90/26/1123209026.db2.gz WKZKVUQJWLSGEJ-UHFFFAOYSA-N 0 1 270.351 3.884 20 0 CHADMN Cc1ccc(NC(=O)Nc2cc(O)c(F)c(F)c2)cc1 ZINC001202430014 1123210479 /nfs/dbraw/zinc/21/04/79/1123210479.db2.gz NDNSQWZIUBWKJJ-UHFFFAOYSA-N 0 1 278.258 3.623 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1cccc(F)c1F ZINC000776310946 1123212986 /nfs/dbraw/zinc/21/29/86/1123212986.db2.gz VHELZSQLLMKDNZ-ZJUUUORDSA-N 0 1 250.292 3.705 20 0 CHADMN CCCCN(C)Cc1nc(-c2ccsc2)oc1C ZINC000338912263 1123214275 /nfs/dbraw/zinc/21/42/75/1123214275.db2.gz OVLDHKKDRGVMQO-UHFFFAOYSA-N 0 1 264.394 3.943 20 0 CHADMN CC1(O)CCN(Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000507808696 1123214923 /nfs/dbraw/zinc/21/49/23/1123214923.db2.gz BXKXMSUMHIKNGP-UHFFFAOYSA-N 0 1 299.389 3.840 20 0 CHADMN COc1ccccc1CNCc1nccc2ccccc21 ZINC000067450992 1123217345 /nfs/dbraw/zinc/21/73/45/1123217345.db2.gz DOEACGMWEFWICR-UHFFFAOYSA-N 0 1 278.355 3.533 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000155861302 1129106965 /nfs/dbraw/zinc/10/69/65/1129106965.db2.gz KQPCMSYXHWXTGC-SWLSCSKDSA-N 0 1 277.412 3.574 20 0 CHADMN CCOc1c(CN(CC)C2CCC2)c(C)nn1CC(C)C ZINC000353818295 1123222352 /nfs/dbraw/zinc/22/23/52/1123222352.db2.gz OOEDZRSJWQCMQF-UHFFFAOYSA-N 0 1 293.455 3.621 20 0 CHADMN CC[C@@H]1C[C@H](CN2CCc3ccc(F)c(F)c3C2)CCO1 ZINC000507815254 1123224167 /nfs/dbraw/zinc/22/41/67/1123224167.db2.gz WCXFMTSAEDCNGI-TZMCWYRMSA-N 0 1 295.373 3.528 20 0 CHADMN CC[C@H](CC(F)F)CN1CCC=C(Br)C1 ZINC000688772567 1129107298 /nfs/dbraw/zinc/10/72/98/1129107298.db2.gz URNCOQKZKIOJOG-SECBINFHSA-N 0 1 282.172 3.652 20 0 CHADMN CC(C)c1nnc(CN[C@H](C)[C@@H](C)C2CCCCC2)o1 ZINC000185519535 1123229690 /nfs/dbraw/zinc/22/96/90/1123229690.db2.gz KUSYXLHDCDIEEJ-CHWSQXEVSA-N 0 1 279.428 3.888 20 0 CHADMN CCCN(CC(=O)Nc1cccc(C(C)C)c1)C1CC1 ZINC000507818434 1123229868 /nfs/dbraw/zinc/22/98/68/1123229868.db2.gz LQOZZOBUQMTESR-UHFFFAOYSA-N 0 1 274.408 3.623 20 0 CHADMN Cc1occc1CNCc1cccc(OC(C)C)c1 ZINC000620946125 1129111040 /nfs/dbraw/zinc/11/10/40/1129111040.db2.gz ZPZNCRKHOQQOQP-UHFFFAOYSA-N 0 1 259.349 3.665 20 0 CHADMN CC[C@@H](NCc1ccnn1CC1CC1)c1ccccc1OC ZINC000850027872 1123237792 /nfs/dbraw/zinc/23/77/92/1123237792.db2.gz HFJJHLBQCKJRHL-QGZVFWFLSA-N 0 1 299.418 3.543 20 0 CHADMN CCN(c1ccc(NCc2cnc(C)n2C)cc1)C(C)C ZINC000850044820 1123238624 /nfs/dbraw/zinc/23/86/24/1123238624.db2.gz WHSRDNGYDVOGJY-UHFFFAOYSA-N 0 1 286.423 3.575 20 0 CHADMN CCN(c1ccc(NCc2nc(C)c[nH]2)cc1)C(C)C ZINC000850044878 1123238650 /nfs/dbraw/zinc/23/86/50/1123238650.db2.gz YVTPAFLVIKDYER-UHFFFAOYSA-N 0 1 272.396 3.565 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cn2cccnc2=S)c1 ZINC000193732050 1129108332 /nfs/dbraw/zinc/10/83/32/1129108332.db2.gz NTUJSUKRRVYFGQ-HNNXBMFYSA-N 0 1 285.416 3.716 20 0 CHADMN Cc1ccc(OCCCNCc2c(F)cccc2F)cc1 ZINC000507949958 1123249283 /nfs/dbraw/zinc/24/92/83/1123249283.db2.gz NBOUTKRBILFRMB-UHFFFAOYSA-N 0 1 291.341 3.832 20 0 CHADMN O=C(CC1CC1)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000427809357 1123250124 /nfs/dbraw/zinc/25/01/24/1123250124.db2.gz YTKLOPIUGSKEMJ-UHFFFAOYSA-N 0 1 291.354 3.969 20 0 CHADMN CC(C)OC1CC(N2CCc3c(Cl)cccc3C2)C1 ZINC000334553776 1123252287 /nfs/dbraw/zinc/25/22/87/1123252287.db2.gz CWLAPKKZIVZWNF-UHFFFAOYSA-N 0 1 279.811 3.654 20 0 CHADMN CC[C@@H]1C[C@H](CNc2nccc(C)c2C2CC2)CCO1 ZINC000850362353 1123256339 /nfs/dbraw/zinc/25/63/39/1123256339.db2.gz LHXWSRSLXIVBHG-UKRRQHHQSA-N 0 1 274.408 3.885 20 0 CHADMN O[C@H]1C[C@H](NCc2cccc(Cl)c2)c2ccccc21 ZINC000850369431 1123258564 /nfs/dbraw/zinc/25/85/64/1123258564.db2.gz JWVXRXOXRBMIIZ-HOTGVXAUSA-N 0 1 273.763 3.608 20 0 CHADMN Cc1cc(F)c(CN[C@@H]2COC3(CCC3)C2)c(Cl)c1 ZINC000850370323 1123258640 /nfs/dbraw/zinc/25/86/40/1123258640.db2.gz NTYSHEGUYKDXJB-NSHDSACASA-N 0 1 283.774 3.589 20 0 CHADMN CC(C)c1ncc(CN[C@@H]2C[C@@H](O)c3ccccc32)s1 ZINC000850372842 1123259646 /nfs/dbraw/zinc/25/96/46/1123259646.db2.gz ZZBFTNZTCXEAJO-HUUCEWRRSA-N 0 1 288.416 3.535 20 0 CHADMN Cc1cccc2c1CCC[C@H]2NCc1cnn(C)c1Cl ZINC000850411763 1123264692 /nfs/dbraw/zinc/26/46/92/1123264692.db2.gz JZPVMOWMVACUML-OAHLLOKOSA-N 0 1 289.810 3.549 20 0 CHADMN Cc1cccnc1CN[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850432382 1123266363 /nfs/dbraw/zinc/26/63/63/1123266363.db2.gz AQEXURZCGJMLAP-AWEZNQCLSA-N 0 1 282.387 3.566 20 0 CHADMN CN(C)Cc1ccc(N[C@@H]2CCCC23CC3)cc1F ZINC000850457159 1123270291 /nfs/dbraw/zinc/27/02/91/1123270291.db2.gz KOFXWPURGAVZAT-OAHLLOKOSA-N 0 1 262.372 3.632 20 0 CHADMN Brc1csc([C@H](N[C@@H]2C=CCC2)C2CC2)n1 ZINC000850511052 1123278320 /nfs/dbraw/zinc/27/83/20/1123278320.db2.gz ZTVAUBCQGTXXMR-MWLCHTKSSA-N 0 1 299.237 3.665 20 0 CHADMN CC(C)[C@H](N[C@H]1CCCc2n[nH]cc21)c1ccccc1F ZINC000850517188 1123279159 /nfs/dbraw/zinc/27/91/59/1123279159.db2.gz TVCFLMZNWIXKDK-RDJZCZTQSA-N 0 1 287.382 3.913 20 0 CHADMN O[C@@H]1C[C@@H](N[C@H]2CCCOc3ccccc32)c2ccccc21 ZINC000850528968 1123284102 /nfs/dbraw/zinc/28/41/02/1123284102.db2.gz ONKLWEIULMVUNB-RCCFBDPRSA-N 0 1 295.382 3.668 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@@H]2C[C@@H](O)c3ccccc32)s1 ZINC000850529019 1123284265 /nfs/dbraw/zinc/28/42/65/1123284265.db2.gz MUTTVLAOFFTFMW-COLVAYQJSA-N 0 1 288.416 3.589 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1ccccc1N(C)C ZINC000850529818 1123284289 /nfs/dbraw/zinc/28/42/89/1123284289.db2.gz UFFICBULJDYQLB-IRWQIABSSA-N 0 1 296.414 3.582 20 0 CHADMN Fc1cccc2c1CC[C@@H]2N[C@H]1COCc2ccccc21 ZINC000428232666 1123285770 /nfs/dbraw/zinc/28/57/70/1123285770.db2.gz VJVDUIOWDAGYMM-ROUUACIJSA-N 0 1 283.346 3.674 20 0 CHADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCc1ccc2ccccc2c1 ZINC000520811436 1123286269 /nfs/dbraw/zinc/28/62/69/1123286269.db2.gz JNCAZRSAJOVMRO-KBXCAEBGSA-N 0 1 297.398 3.567 20 0 CHADMN CCCc1cc(C(=O)N2CCC[C@@H]2c2ccc(C)cc2)n[nH]1 ZINC000248118570 1123292049 /nfs/dbraw/zinc/29/20/49/1123292049.db2.gz WJLSUSZJCQHBBR-QGZVFWFLSA-N 0 1 297.402 3.648 20 0 CHADMN CCc1ccccc1CN[C@H](C)c1cc(OC)ccn1 ZINC000925115948 1123292222 /nfs/dbraw/zinc/29/22/22/1123292222.db2.gz UVFGACCXLSYJKJ-CYBMUJFWSA-N 0 1 270.376 3.503 20 0 CHADMN C[C@@H](NC1CC(C)(C)C1)c1nc(Br)cs1 ZINC000850577276 1123296016 /nfs/dbraw/zinc/29/60/16/1123296016.db2.gz XQWMLYXQNCRJCV-SSDOTTSWSA-N 0 1 289.242 3.745 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cc(N)ccc21)c1cccc(F)c1F ZINC000665269493 1123296446 /nfs/dbraw/zinc/29/64/46/1123296446.db2.gz HJWVIJVVTAWBFO-QLJPJBMISA-N 0 1 288.341 3.885 20 0 CHADMN CC1=C(C(=O)Nc2cc(Cl)c(O)cc2F)CCC1 ZINC000335120075 1123304221 /nfs/dbraw/zinc/30/42/21/1123304221.db2.gz NDGBYTJAWCPEBR-UHFFFAOYSA-N 0 1 269.703 3.624 20 0 CHADMN CCCCN(Cc1n[nH]c(C)n1)Cc1ccccc1Cl ZINC000428244936 1123307574 /nfs/dbraw/zinc/30/75/74/1123307574.db2.gz YNHAQHCBVRNZDN-UHFFFAOYSA-N 0 1 292.814 3.569 20 0 CHADMN CC[N@@H+](Cc1ccc(C(F)F)c(F)c1)[C@@H]1CCCOC1 ZINC000895154314 1123308608 /nfs/dbraw/zinc/30/86/08/1123308608.db2.gz XYUSYAQUFRBDBX-GFCCVEGCSA-N 0 1 287.325 3.764 20 0 CHADMN COC[C@H](N[C@@H](C)c1c[nH]c2ncccc12)c1ccc(C)o1 ZINC000156443564 1129113011 /nfs/dbraw/zinc/11/30/11/1129113011.db2.gz APTOQUPBYRHRPA-WFASDCNBSA-N 0 1 299.374 3.503 20 0 CHADMN Fc1ccc(CNc2ccc3c(n2)CCC3)cc1Cl ZINC000134294866 1123320765 /nfs/dbraw/zinc/32/07/65/1123320765.db2.gz ZLWXQMSYCGXICT-UHFFFAOYSA-N 0 1 276.742 3.975 20 0 CHADMN O=C(OCc1cc(C2CC2)[nH]n1)c1ccc(C2CC2)cc1 ZINC000851118932 1123325756 /nfs/dbraw/zinc/32/57/56/1123325756.db2.gz JZWVXOOMXCEYGK-UHFFFAOYSA-N 0 1 282.343 3.522 20 0 CHADMN C[C@H](NC1(c2ccc(F)cc2)CC1)c1cncs1 ZINC000346789893 1123329276 /nfs/dbraw/zinc/32/92/76/1123329276.db2.gz FGPIWCSNQSQODV-JTQLQIEISA-N 0 1 262.353 3.622 20 0 CHADMN Cc1cncc(CN2Cc3ccccc3C(C)(C)C2)c1 ZINC000442674761 1123332447 /nfs/dbraw/zinc/33/24/47/1123332447.db2.gz DAOMGDROCWLROR-UHFFFAOYSA-N 0 1 266.388 3.683 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000851227973 1123338072 /nfs/dbraw/zinc/33/80/72/1123338072.db2.gz VPURHRAIWSSQFH-YOWGUQMCSA-N 0 1 296.370 3.588 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000442864974 1123343922 /nfs/dbraw/zinc/34/39/22/1123343922.db2.gz DXDWBNYQLWELEC-FZMZJTMJSA-N 0 1 287.432 3.860 20 0 CHADMN CC[C@@]1(C)CN([C@H]2CCCc3ccc(F)cc32)CCO1 ZINC000442878568 1123346394 /nfs/dbraw/zinc/34/63/94/1123346394.db2.gz GLCDVHVXIUNKHG-IRXDYDNUSA-N 0 1 277.383 3.704 20 0 CHADMN CC[C@]1(C)CN(Cc2csc3ccccc23)CCO1 ZINC000442881390 1123347098 /nfs/dbraw/zinc/34/70/98/1123347098.db2.gz ICICTTWNGNCSKT-MRXNPFEDSA-N 0 1 275.417 3.902 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H]2CC2CCCCC2)nn1C ZINC000487422549 1123350080 /nfs/dbraw/zinc/35/00/80/1123350080.db2.gz SHHDECZVSUGUTE-QGZVFWFLSA-N 0 1 275.440 3.663 20 0 CHADMN Cc1cnc([C@@H](C)[N@H+]2CC[C@H](c3ccccc3C)C2)o1 ZINC000335319950 1123356936 /nfs/dbraw/zinc/35/69/36/1123356936.db2.gz VAKFKJXIJPPDSD-CABCVRRESA-N 0 1 270.376 3.842 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1nc(-c2cc3ccccc3o2)no1 ZINC000443102096 1123357026 /nfs/dbraw/zinc/35/70/26/1123357026.db2.gz GLCYNRNRBIQPIE-TXEJJXNPSA-N 0 1 297.358 3.856 20 0 CHADMN CC1(c2cc(=O)n(Cc3cccc(Cl)c3Cl)[nH]2)CC1 ZINC000634623675 1129121783 /nfs/dbraw/zinc/12/17/83/1129121783.db2.gz MAKJAKSCONDUEF-UHFFFAOYSA-N 0 1 297.185 3.882 20 0 CHADMN Cc1ccc(Cc2noc([C@H](C)N3[C@H](C)CC[C@@H]3C)n2)cc1 ZINC000443205265 1123364581 /nfs/dbraw/zinc/36/45/81/1123364581.db2.gz SBQCHYPRWFYDCZ-ZNMIVQPWSA-N 0 1 299.418 3.903 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cccc(F)n2)cc1 ZINC000851727305 1123376015 /nfs/dbraw/zinc/37/60/15/1123376015.db2.gz JKHFWEPGGSTWEI-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN CCCN(Cc1ccc(F)cc1)Cc1cccc(F)n1 ZINC000851738506 1123376983 /nfs/dbraw/zinc/37/69/83/1123376983.db2.gz IRJCURBLGNIOTQ-UHFFFAOYSA-N 0 1 276.330 3.772 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CCN2CCOC(F)F)o1 ZINC000851793025 1123380345 /nfs/dbraw/zinc/38/03/45/1123380345.db2.gz RTRJUQYXVIZVKE-CMPLNLGQSA-N 0 1 273.323 3.600 20 0 CHADMN FC(F)OCCN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000851855021 1123384343 /nfs/dbraw/zinc/38/43/43/1123384343.db2.gz YDOBWEDBRPUISP-UHFFFAOYSA-N 0 1 287.737 3.668 20 0 CHADMN COC(CCN1CCCC[C@H]1c1ccc(F)cc1F)OC ZINC000851856606 1123384453 /nfs/dbraw/zinc/38/44/53/1123384453.db2.gz WKJYCESGDBTGNY-HNNXBMFYSA-N 0 1 299.361 3.501 20 0 CHADMN CC[C@](C)(NCc1cc(C2CC2)no1)c1ccccc1 ZINC000851901529 1123387689 /nfs/dbraw/zinc/38/76/89/1123387689.db2.gz LLSQYAKXHQKKMO-KRWDZBQOSA-N 0 1 270.376 3.967 20 0 CHADMN C[C@H](NCc1cccc(F)n1)c1cccc(N2CCCC2)c1 ZINC000851905989 1123389307 /nfs/dbraw/zinc/38/93/07/1123389307.db2.gz KOQGSHSOJYHMPT-AWEZNQCLSA-N 0 1 299.393 3.672 20 0 CHADMN Fc1cccc(C[N@H+]2CCCC[C@@H]2c2ccccc2)n1 ZINC000851937888 1123390269 /nfs/dbraw/zinc/39/02/69/1123390269.db2.gz DKQQNUKJJPBXJJ-MRXNPFEDSA-N 0 1 270.351 3.948 20 0 CHADMN Fc1cccc(CN2CCCC[C@@H]2c2ccccc2)n1 ZINC000851937888 1123390274 /nfs/dbraw/zinc/39/02/74/1123390274.db2.gz DKQQNUKJJPBXJJ-MRXNPFEDSA-N 0 1 270.351 3.948 20 0 CHADMN FC1(F)CCC12CN(Cc1ccc3occc3c1)C2 ZINC000335677351 1123392666 /nfs/dbraw/zinc/39/26/66/1123392666.db2.gz LDWVKDGNVXPZOF-UHFFFAOYSA-N 0 1 263.287 3.664 20 0 CHADMN CCCCC[C@@H](NC(=O)N(C)Cc1cnc[nH]1)C(C)(C)C ZINC000852115086 1123398080 /nfs/dbraw/zinc/39/80/80/1123398080.db2.gz LRPAETXJNJHXIB-CQSZACIVSA-N 0 1 294.443 3.546 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCOC(C)(C)C1 ZINC000443419091 1123398604 /nfs/dbraw/zinc/39/86/04/1123398604.db2.gz URRZLRAQKUYHGY-UHFFFAOYSA-N 0 1 287.325 3.625 20 0 CHADMN O=c1c2c([nH]n1Cc1ccc(-c3ccccc3)cc1)CCC2 ZINC000634617120 1129121900 /nfs/dbraw/zinc/12/19/00/1129121900.db2.gz GMJPWWQIACBURN-QGZVFWFLSA-N 0 1 290.366 3.852 20 0 CHADMN CC(C)(C)c1nnc(CN[C@H]2CCCC23CCCCC3)o1 ZINC000852309419 1123402188 /nfs/dbraw/zinc/40/21/88/1123402188.db2.gz FSGBTEGYDYWYKK-ZDUSSCGKSA-N 0 1 291.439 3.960 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@@H](C(F)(F)F)C2)c1 ZINC001143590126 1123404435 /nfs/dbraw/zinc/40/44/35/1123404435.db2.gz OZGAOAJSLATABO-LLVKDONJSA-N 0 1 261.262 3.518 20 0 CHADMN CC[C@@H](C)c1cc(=O)n(Cc2cccc(C(F)(F)F)c2)[nH]1 ZINC000634591038 1129119465 /nfs/dbraw/zinc/11/94/65/1129119465.db2.gz RHXGNICOGLCXJP-SNVBAGLBSA-N 0 1 298.308 3.840 20 0 CHADMN CC[C@@H](NCc1cnc(F)c(C)c1)c1ccccc1F ZINC000895200171 1123406765 /nfs/dbraw/zinc/40/67/65/1123406765.db2.gz OIVXMIBKBDUTFO-OAHLLOKOSA-N 0 1 276.330 3.909 20 0 CHADMN C[C@H](NC(=O)C1(C)CCC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000749988777 1123407303 /nfs/dbraw/zinc/40/73/03/1123407303.db2.gz HHVVMZCQJGOVEL-VIFPVBQESA-N 0 1 291.782 3.584 20 0 CHADMN C[C@@H]1CC[C@@H]2C(=O)N(Cc3ccc(Cl)cc3Cl)N=C12 ZINC000634591885 1129119968 /nfs/dbraw/zinc/11/99/68/1129119968.db2.gz RDQQWIBSSLADMQ-KCJUWKMLSA-N 0 1 297.185 3.738 20 0 CHADMN C[C@@H]1CCc2c(=O)n(Cc3ccc(Cl)cc3Cl)[nH]c21 ZINC000634591885 1129119970 /nfs/dbraw/zinc/11/99/70/1129119970.db2.gz RDQQWIBSSLADMQ-KCJUWKMLSA-N 0 1 297.185 3.738 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)Nc1ccccc1C ZINC000335707507 1123413482 /nfs/dbraw/zinc/41/34/82/1123413482.db2.gz FSRWGTSQENTRQL-UHFFFAOYSA-N 0 1 280.278 3.608 20 0 CHADMN CN(Cc1cccnc1Cl)C[C@@H]1CCc2ccccc21 ZINC000852725204 1123414103 /nfs/dbraw/zinc/41/41/03/1123414103.db2.gz YGBNNRYEBOMYMQ-AWEZNQCLSA-N 0 1 286.806 3.897 20 0 CHADMN Cc1nc(F)ccc1CN[C@]1(c2ccccc2)CC1(C)C ZINC000853091852 1123423729 /nfs/dbraw/zinc/42/37/29/1123423729.db2.gz WEKWYVHXYUNBEF-SFHVURJKSA-N 0 1 284.378 3.944 20 0 CHADMN CC(C)n1cc(CN[C@@H](C)c2ccc3c(c2)CCCO3)cn1 ZINC000853094521 1123423867 /nfs/dbraw/zinc/42/38/67/1123423867.db2.gz FAKJAWWWELUPRL-AWEZNQCLSA-N 0 1 299.418 3.640 20 0 CHADMN F[C@@H]1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001141734809 1123424122 /nfs/dbraw/zinc/42/41/22/1123424122.db2.gz INRGLHJQQRZYMS-MRXNPFEDSA-N 0 1 267.347 3.802 20 0 CHADMN CC(C)n1cncc1CN[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000853095489 1123424161 /nfs/dbraw/zinc/42/41/61/1123424161.db2.gz YYCVOMYASVYUMN-AWEZNQCLSA-N 0 1 299.418 3.640 20 0 CHADMN Clc1cc2c(c(Cl)c1)CC[C@H]2Sc1c[nH]nn1 ZINC000443525597 1123425021 /nfs/dbraw/zinc/42/50/21/1123425021.db2.gz ZJHIRNIBZZTTOR-SNVBAGLBSA-N 0 1 286.187 3.891 20 0 CHADMN CCCC1=NN(c2cccc(C(F)(F)F)n2)C(=O)[C@H]1CC ZINC000634612375 1129120758 /nfs/dbraw/zinc/12/07/58/1129120758.db2.gz XEQULZGPHNLPLH-VIFPVBQESA-N 0 1 299.296 3.629 20 0 CHADMN CCc1c(=O)n(-c2ccnc3ccccc32)[nH]c1C(C)C ZINC000634602917 1129120907 /nfs/dbraw/zinc/12/09/07/1129120907.db2.gz JFJVJNCFQYJSBV-LBPRGKRZSA-N 0 1 281.359 3.620 20 0 CHADMN CCOc1cc(CN2CC(C)C2)ccc1OCC(C)C ZINC000338955640 1123428171 /nfs/dbraw/zinc/42/81/71/1123428171.db2.gz DHRMDTPCBZLJMR-UHFFFAOYSA-N 0 1 277.408 3.572 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1ccn(C)n1 ZINC000853240006 1123428919 /nfs/dbraw/zinc/42/89/19/1123428919.db2.gz FHBGMCBKKNPLOP-BBRMVZONSA-N 0 1 299.418 3.547 20 0 CHADMN CC(C)[C@@H](C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1ccccc1 ZINC000665351003 1123433679 /nfs/dbraw/zinc/43/36/79/1123433679.db2.gz MQQGGJYXPJFVMZ-MRXNPFEDSA-N 0 1 291.435 3.859 20 0 CHADMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccc(C(C)(C)C)s1 ZINC000665350463 1123436176 /nfs/dbraw/zinc/43/61/76/1123436176.db2.gz TUTVDJJUNPPIRK-UHFFFAOYSA-N 0 1 297.464 3.978 20 0 CHADMN CSc1ccc(CN2CCC([C@H]3CCCCO3)CC2)o1 ZINC000895279238 1123438398 /nfs/dbraw/zinc/43/83/98/1123438398.db2.gz HFYBXLYWWRJHBD-OAHLLOKOSA-N 0 1 295.448 3.783 20 0 CHADMN O=C1[C@@H]2CCCCCCC2=NN1c1cccc2cnccc21 ZINC000634623021 1129121721 /nfs/dbraw/zinc/12/17/21/1129121721.db2.gz VKXNQHGDMJALNK-OAHLLOKOSA-N 0 1 293.370 3.908 20 0 CHADMN O=c1c2c([nH]n1-c1cccc3cnccc31)CCCCCC2 ZINC000634623021 1129121724 /nfs/dbraw/zinc/12/17/24/1129121724.db2.gz VKXNQHGDMJALNK-OAHLLOKOSA-N 0 1 293.370 3.908 20 0 CHADMN CC(C)(C)[C@H]1CCCN1Cc1nc(C2CCCC2)no1 ZINC000443602604 1123442038 /nfs/dbraw/zinc/44/20/38/1123442038.db2.gz ILIJMFDGKVOKQW-CYBMUJFWSA-N 0 1 277.412 3.738 20 0 CHADMN S=c1ncccn1CN1CCCC[C@@H]1CC1CCC1 ZINC000853605966 1123443982 /nfs/dbraw/zinc/44/39/82/1123443982.db2.gz OKPNZJBBCFNZOY-CQSZACIVSA-N 0 1 277.437 3.615 20 0 CHADMN CCCCN(CC)Cc1ccn(-c2ccccc2F)n1 ZINC000526083444 1123444131 /nfs/dbraw/zinc/44/41/31/1123444131.db2.gz BVLIQUWNBGWIFT-UHFFFAOYSA-N 0 1 275.371 3.633 20 0 CHADMN CCN(Cc1coc(-c2c(F)cccc2F)n1)C1CCC1 ZINC000443613669 1123444513 /nfs/dbraw/zinc/44/45/13/1123444513.db2.gz JRHWMVRZRRXSKI-UHFFFAOYSA-N 0 1 292.329 3.994 20 0 CHADMN COc1cccc(OCC[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC000443616115 1123445070 /nfs/dbraw/zinc/44/50/70/1123445070.db2.gz QSVBGJLEQNGDRC-SFHVURJKSA-N 0 1 283.371 3.521 20 0 CHADMN Cc1c[nH]nc1CN[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000335870455 1123452284 /nfs/dbraw/zinc/45/22/84/1123452284.db2.gz OOTCRLPTFZZNOF-GFCCVEGCSA-N 0 1 296.201 3.802 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CC[C@@H](C)C[C@H](C)C1 ZINC000443636853 1123454402 /nfs/dbraw/zinc/45/44/02/1123454402.db2.gz DJRZUNBNLISXJK-AGIUHOORSA-N 0 1 279.428 3.796 20 0 CHADMN C[C@@H]1CCN(Cc2ncc(C(C)(C)C)o2)C[C@@H](C)C1 ZINC000443640953 1123455248 /nfs/dbraw/zinc/45/52/48/1123455248.db2.gz KSPWBQFTORARGM-OLZOCXBDSA-N 0 1 264.413 3.840 20 0 CHADMN CC(C)C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000335885827 1123458997 /nfs/dbraw/zinc/45/89/97/1123458997.db2.gz OOEZOYCMXRARTK-ZDUSSCGKSA-N 0 1 291.782 3.536 20 0 CHADMN Cc1ccc(CNC(C)(C)c2ccc(C)nc2)c(F)c1 ZINC000631111302 1123462444 /nfs/dbraw/zinc/46/24/44/1123462444.db2.gz HUBJZFKRVFQEMH-UHFFFAOYSA-N 0 1 272.367 3.862 20 0 CHADMN Cc1ccc(OCCN2CC(C)(C)[C@H]2c2cccnc2)cc1 ZINC000854041019 1123467458 /nfs/dbraw/zinc/46/74/58/1123467458.db2.gz XTIFFJYZBZXWPT-GOSISDBHSA-N 0 1 296.414 3.852 20 0 CHADMN CC1(C)CCC[C@H](C(=O)Nc2cccc(-c3cn[nH]n3)c2)C1 ZINC000443669789 1123467493 /nfs/dbraw/zinc/46/74/93/1123467493.db2.gz AZXNJLCHPMKNOU-ZDUSSCGKSA-N 0 1 298.390 3.627 20 0 CHADMN CC1(C)CN(CC2CC(F)(F)C2)[C@H]1c1cccnc1 ZINC000854041953 1123467876 /nfs/dbraw/zinc/46/78/76/1123467876.db2.gz SNMGQXLJVIISOF-ZDUSSCGKSA-N 0 1 266.335 3.510 20 0 CHADMN Cc1ncoc1CN[C@H](c1cccc(C)c1)C(C)C ZINC000895402784 1123476082 /nfs/dbraw/zinc/47/60/82/1123476082.db2.gz NUJFNHLUDBGZJL-INIZCTEOSA-N 0 1 258.365 3.778 20 0 CHADMN CC(C)(C)c1cc2cccnc2c(NCc2cnc[nH]2)c1 ZINC000895403786 1123477547 /nfs/dbraw/zinc/47/75/47/1123477547.db2.gz XPIOFJHDTWZYLZ-UHFFFAOYSA-N 0 1 280.375 3.868 20 0 CHADMN CO[C@@H](CNCc1nc2ccccc2o1)C1CCCCC1 ZINC000639335416 1123482012 /nfs/dbraw/zinc/48/20/12/1123482012.db2.gz NGLWFKZDBWPCIT-INIZCTEOSA-N 0 1 288.391 3.513 20 0 CHADMN CC[C@@H](N[C@@H]1CCc2c1nccc2Cl)c1ccncc1 ZINC000925128824 1123489285 /nfs/dbraw/zinc/48/92/85/1123489285.db2.gz GPABIOOYENJGIB-HUUCEWRRSA-N 0 1 287.794 3.858 20 0 CHADMN CCc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2OC)nc1 ZINC000338963535 1123495033 /nfs/dbraw/zinc/49/50/33/1123495033.db2.gz ZPKCKHISCRGVOH-SFHVURJKSA-N 0 1 296.414 3.990 20 0 CHADMN CCc1ccc(CN2CCC[C@H]2c2ccccc2OC)nc1 ZINC000338963535 1123495035 /nfs/dbraw/zinc/49/50/35/1123495035.db2.gz ZPKCKHISCRGVOH-SFHVURJKSA-N 0 1 296.414 3.990 20 0 CHADMN Cc1cc(CN[C@H](c2ccccn2)C2CCC2)cnc1F ZINC000895582042 1123495463 /nfs/dbraw/zinc/49/54/63/1123495463.db2.gz RBWVVFYBCCPCMD-INIZCTEOSA-N 0 1 285.366 3.555 20 0 CHADMN Clc1csc(CN2CC(CC3CCOCC3)C2)c1 ZINC000895615789 1123497190 /nfs/dbraw/zinc/49/71/90/1123497190.db2.gz ORUWMBCDKJUKHQ-UHFFFAOYSA-N 0 1 285.840 3.650 20 0 CHADMN CCC[C@H]1CN(C[C@H](OC(C)C)c2ccccc2)CCO1 ZINC000428293239 1123501620 /nfs/dbraw/zinc/50/16/20/1123501620.db2.gz HBIWSMQLYMGTHD-ROUUACIJSA-N 0 1 291.435 3.654 20 0 CHADMN CCCCN(C(=O)c1ccn[nH]1)[C@@H](CC)c1ccccc1 ZINC000114645426 1123503345 /nfs/dbraw/zinc/50/33/45/1123503345.db2.gz QSWQPJPEKBUJRI-INIZCTEOSA-N 0 1 285.391 3.803 20 0 CHADMN COc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)o1 ZINC000895666029 1123504532 /nfs/dbraw/zinc/50/45/32/1123504532.db2.gz MYKXIIMLVISBEU-AWEZNQCLSA-N 0 1 277.751 3.719 20 0 CHADMN C[C@@H]1CCCC[C@H]1N(C)Cc1noc(-c2ccccc2)n1 ZINC000114713663 1123506601 /nfs/dbraw/zinc/50/66/01/1123506601.db2.gz YXFCEUZBORNODZ-UKRRQHHQSA-N 0 1 285.391 3.747 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H](C)c1ncco1)CC3 ZINC000895763300 1123511432 /nfs/dbraw/zinc/51/14/32/1123511432.db2.gz CFTWAPMDSDNJJR-CHWSQXEVSA-N 0 1 295.386 3.672 20 0 CHADMN C[C@H](CC1CCC1)NCc1csc(C(F)(F)F)n1 ZINC000895777562 1123513512 /nfs/dbraw/zinc/51/35/12/1123513512.db2.gz MYHFUWITSXSTRC-MRVPVSSYSA-N 0 1 278.343 3.830 20 0 CHADMN Fc1cc(Cl)cc(CNCc2ccc(Cl)nc2)c1 ZINC000776800972 1123514602 /nfs/dbraw/zinc/51/46/02/1123514602.db2.gz ZKYWXODYKHRKCK-UHFFFAOYSA-N 0 1 285.149 3.817 20 0 CHADMN CC[N@@H+](Cc1csc(C)n1)[C@H]1CCCC[C@@H]1C ZINC000120066238 1123522344 /nfs/dbraw/zinc/52/23/44/1123522344.db2.gz YQPJHGZDENOVIH-FZMZJTMJSA-N 0 1 252.427 3.852 20 0 CHADMN Fc1ccc2occ(CN3CC(c4cccnc4)C3)c2c1 ZINC001141854807 1123529867 /nfs/dbraw/zinc/52/98/67/1123529867.db2.gz QMALXFYFEABMGF-UHFFFAOYSA-N 0 1 282.318 3.566 20 0 CHADMN CC(C)[C@@H](C)CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000474444688 1123530969 /nfs/dbraw/zinc/53/09/69/1123530969.db2.gz HWHRLVAWWRBDHU-QMMMGPOBSA-N 0 1 273.735 3.805 20 0 CHADMN Cc1c[nH]c(CN[C@@H]2CCc3cccc4cccc2c43)n1 ZINC000895933152 1123532126 /nfs/dbraw/zinc/53/21/26/1123532126.db2.gz BETAQPODIIGUER-MRXNPFEDSA-N 0 1 277.371 3.648 20 0 CHADMN CCCCC[C@@H]1CCCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000856269824 1123553601 /nfs/dbraw/zinc/55/36/01/1123553601.db2.gz DBMHYHGLHXDWJQ-CQSZACIVSA-N 0 1 289.423 3.862 20 0 CHADMN Fc1ccc([C@H]2CCCN2Cc2cnc3ccccn23)cc1 ZINC000157555572 1129129434 /nfs/dbraw/zinc/12/94/34/1129129434.db2.gz OBZQNRQIGVRNBZ-QGZVFWFLSA-N 0 1 295.361 3.811 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cn(C)nc1Cl)C(C)C ZINC000856770956 1123567947 /nfs/dbraw/zinc/56/79/47/1123567947.db2.gz SXSBFNVXYIIJQK-HNNXBMFYSA-N 0 1 291.826 3.869 20 0 CHADMN Cc1cccc(C)c1CN(Cc1cocn1)CC(C)C ZINC000648052211 1123590398 /nfs/dbraw/zinc/59/03/98/1123590398.db2.gz UZWKDDXNAHICFA-UHFFFAOYSA-N 0 1 272.392 3.950 20 0 CHADMN C[C@H]1N(Cc2ccc(F)c3ccccc23)CCOC1(C)C ZINC001204776496 1123594193 /nfs/dbraw/zinc/59/41/93/1123594193.db2.gz OMHCCDSZBKDOJO-CYBMUJFWSA-N 0 1 287.378 3.978 20 0 CHADMN CCCC[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1CC ZINC000179182335 1123600185 /nfs/dbraw/zinc/60/01/85/1123600185.db2.gz JYGRACBFAIMHEY-CQSZACIVSA-N 0 1 276.424 3.698 20 0 CHADMN COc1ccc(CN2CC[C@@H](OCC(C)C)C2)cc1Cl ZINC000179370246 1123602471 /nfs/dbraw/zinc/60/24/71/1123602471.db2.gz YLYFKBWUHGXUTL-CQSZACIVSA-N 0 1 297.826 3.596 20 0 CHADMN C[C@@H](N[C@@H](C)CC(=O)OC(C)(C)C)c1cc(F)ccc1F ZINC000609574660 1123607328 /nfs/dbraw/zinc/60/73/28/1123607328.db2.gz OBKAYRCAHJGCAQ-WDEREUQCSA-N 0 1 299.361 3.736 20 0 CHADMN COc1ccc(Cl)cc1C[C@H]1CCCN(CCF)C1 ZINC000759342325 1123610277 /nfs/dbraw/zinc/61/02/77/1123610277.db2.gz HTDVZSLMLOOGBT-GFCCVEGCSA-N 0 1 285.790 3.573 20 0 CHADMN CC(C)[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(F)cc1 ZINC000857845789 1123620959 /nfs/dbraw/zinc/62/09/59/1123620959.db2.gz BWZFRTKZHAWYDE-HZPDHXFCSA-N 0 1 287.382 3.913 20 0 CHADMN CC(C)Oc1cccc([C@H](C)N[C@@H]2CCCc3c[nH]nc32)c1 ZINC000857846760 1123621138 /nfs/dbraw/zinc/62/11/38/1123621138.db2.gz GQYFGSHDXZUHFU-SUMWQHHRSA-N 0 1 299.418 3.925 20 0 CHADMN CCCCOc1cccc(CN[C@@H]2CCCc3c[nH]nc32)c1 ZINC000857849056 1123621664 /nfs/dbraw/zinc/62/16/64/1123621664.db2.gz RGZXKMIOUNOUDL-QGZVFWFLSA-N 0 1 299.418 3.756 20 0 CHADMN c1[nH]nc2c1CCC[C@H]2NCc1cc2c(s1)CCCC2 ZINC000857849171 1123621890 /nfs/dbraw/zinc/62/18/90/1123621890.db2.gz HYOZAUYPTDCIFR-CQSZACIVSA-N 0 1 287.432 3.517 20 0 CHADMN Cc1[nH]c2ccc(CN[C@@H]3CCCc4c[nH]nc43)cc2c1C ZINC000857850729 1123622415 /nfs/dbraw/zinc/62/24/15/1123622415.db2.gz YEXXSYAZQFAQII-QGZVFWFLSA-N 0 1 294.402 3.675 20 0 CHADMN c1n[nH]c2c1CCC[C@H]2Nc1ccc(C2CC2)cc1 ZINC000857862992 1123622891 /nfs/dbraw/zinc/62/28/91/1123622891.db2.gz OJVJDSWRSJUIEN-OAHLLOKOSA-N 0 1 253.349 3.777 20 0 CHADMN c1nc2cc(N[C@@H]3CCCc4cn[nH]c43)ccc2s1 ZINC000857864516 1123623081 /nfs/dbraw/zinc/62/30/81/1123623081.db2.gz HRGNYDPMLVTPRH-LLVKDONJSA-N 0 1 270.361 3.509 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2N[C@@H]1CCCc2c[nH]nc21 ZINC000857873326 1123624605 /nfs/dbraw/zinc/62/46/05/1123624605.db2.gz WSXBKUVMKKCYFY-DLBZAZTESA-N 0 1 281.403 3.763 20 0 CHADMN Clc1ccc2c(n1)[C@H](N[C@H](c1cccnc1)C1CC1)CC2 ZINC000857906159 1123625562 /nfs/dbraw/zinc/62/55/62/1123625562.db2.gz BNEFKRPPIGDPOE-ZBFHGGJFSA-N 0 1 299.805 3.858 20 0 CHADMN CCCN(Cc1cocn1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000191945303 1123631636 /nfs/dbraw/zinc/63/16/36/1123631636.db2.gz RDPNSDZABDXXIL-HOTGVXAUSA-N 0 1 292.423 3.624 20 0 CHADMN CC(C)(NCc1ccnc(F)c1)c1cccc(Cl)c1 ZINC000858141407 1123634428 /nfs/dbraw/zinc/63/44/28/1123634428.db2.gz NVJFJODZQJEXKG-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)N[C@H](C)c2ccnn2C)c1 ZINC000192248384 1123636761 /nfs/dbraw/zinc/63/67/61/1123636761.db2.gz LOKZQTQKGHKBJY-ZIAGYGMSSA-N 0 1 287.407 3.619 20 0 CHADMN Cc1nc(F)ccc1CN[C@H](c1ccccn1)C1CCC1 ZINC000858238483 1123639096 /nfs/dbraw/zinc/63/90/96/1123639096.db2.gz JYHLDZMSTLWYEB-KRWDZBQOSA-N 0 1 285.366 3.555 20 0 CHADMN Cc1nc(F)ccc1CN[C@@H](c1ccccn1)C1CCC1 ZINC000858238486 1123639476 /nfs/dbraw/zinc/63/94/76/1123639476.db2.gz JYHLDZMSTLWYEB-QGZVFWFLSA-N 0 1 285.366 3.555 20 0 CHADMN CCCc1cccc(CN[C@H](C)c2ccns2)c1 ZINC000858316648 1123644026 /nfs/dbraw/zinc/64/40/26/1123644026.db2.gz FSCDXQCAGORVSL-GFCCVEGCSA-N 0 1 260.406 3.946 20 0 CHADMN C[C@H](NCc1ccc(OCC(F)F)cc1)c1ccns1 ZINC000858317262 1123644611 /nfs/dbraw/zinc/64/46/11/1123644611.db2.gz VTHGIHRLOHPJCO-JTQLQIEISA-N 0 1 298.358 3.638 20 0 CHADMN Cn1c(Cl)ncc1CN[C@@H]1CCc2ccc(Cl)cc21 ZINC000858321217 1123645267 /nfs/dbraw/zinc/64/52/67/1123645267.db2.gz WCEFBWYAFVYFLK-CYBMUJFWSA-N 0 1 296.201 3.504 20 0 CHADMN Fc1ccc(CNCc2ccccc2CC(F)(F)F)cn1 ZINC000858329764 1123646142 /nfs/dbraw/zinc/64/61/42/1123646142.db2.gz NWPMESPKJBMDMA-UHFFFAOYSA-N 0 1 298.283 3.615 20 0 CHADMN C[C@H](COc1ccccc1)N[C@H]1CCCc2scnc21 ZINC000858358083 1123647625 /nfs/dbraw/zinc/64/76/25/1123647625.db2.gz MEWODJXQLSTNAX-OCCSQVGLSA-N 0 1 288.416 3.578 20 0 CHADMN CCc1cc(CN[C@@H](C)c2cccc(C(C)C)c2)[nH]n1 ZINC000858364062 1123648051 /nfs/dbraw/zinc/64/80/51/1123648051.db2.gz CMPONVOVCKRSJC-ZDUSSCGKSA-N 0 1 271.408 3.946 20 0 CHADMN CCc1cc(CN[C@H]2CCc3cc(F)c(Cl)cc32)[nH]n1 ZINC000858366175 1123649001 /nfs/dbraw/zinc/64/90/01/1123649001.db2.gz XVDFJOFQNIRTLU-HNNXBMFYSA-N 0 1 293.773 3.542 20 0 CHADMN CCc1cc(CN[C@H]2CCc3cc(F)c(Cl)cc32)n[nH]1 ZINC000858366175 1123649002 /nfs/dbraw/zinc/64/90/02/1123649002.db2.gz XVDFJOFQNIRTLU-HNNXBMFYSA-N 0 1 293.773 3.542 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccccc21)c1ccncc1F ZINC000335905314 1123650790 /nfs/dbraw/zinc/65/07/90/1123650790.db2.gz RUZAAQAWUNFHNB-MEDUHNTESA-N 0 1 256.324 3.559 20 0 CHADMN Cc1nc2ccc(NC(=O)C[C@@H]3CCC[C@@H]3C)cc2[nH]1 ZINC000346093670 1123663666 /nfs/dbraw/zinc/66/36/66/1123663666.db2.gz NSJLATJSVHPZIF-JQWIXIFHSA-N 0 1 271.364 3.636 20 0 CHADMN COc1cccc2c1CCC[C@H]2N[C@H](C)c1ccns1 ZINC000858576115 1123663964 /nfs/dbraw/zinc/66/39/64/1123663964.db2.gz ILBIRYHEIOJPOT-BXUZGUMPSA-N 0 1 288.416 3.880 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccc1N(C)C)c1ccns1 ZINC000858578254 1123664819 /nfs/dbraw/zinc/66/48/19/1123664819.db2.gz TWDLZKSOSBECGT-RYUDHWBXSA-N 0 1 275.421 3.621 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H](C)c1ccns1 ZINC000858577846 1123664882 /nfs/dbraw/zinc/66/48/82/1123664882.db2.gz RKSGMVVWJRRRNS-IUCAKERBSA-N 0 1 268.407 3.625 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@@H]1CCc2ccc(Cl)cc21 ZINC000858582637 1123665504 /nfs/dbraw/zinc/66/55/04/1123665504.db2.gz RWPLFWQPRNRPME-BDJLRTHQSA-N 0 1 287.794 3.777 20 0 CHADMN CCc1cnc(C[N@H+]2CCC[C@@H]2CC(C)C)s1 ZINC000346185761 1123668085 /nfs/dbraw/zinc/66/80/85/1123668085.db2.gz VTJQZFYWBBXOFS-GFCCVEGCSA-N 0 1 252.427 3.716 20 0 CHADMN Cc1nc(C[N@H+](C)C[C@@H]2CCCC[C@H]2C)cs1 ZINC000346187557 1123668323 /nfs/dbraw/zinc/66/83/23/1123668323.db2.gz WXQDVWSTGLWJID-YPMHNXCESA-N 0 1 252.427 3.710 20 0 CHADMN Cc1nc(CN(C)C[C@@H]2CCCC[C@H]2C)cs1 ZINC000346187557 1123668325 /nfs/dbraw/zinc/66/83/25/1123668325.db2.gz WXQDVWSTGLWJID-YPMHNXCESA-N 0 1 252.427 3.710 20 0 CHADMN CCc1cnc(C[N@H+]2CC[C@@H](c3ccccc3)C2)s1 ZINC000346134060 1123668714 /nfs/dbraw/zinc/66/87/14/1123668714.db2.gz FEVCQVVMSKIHCH-CQSZACIVSA-N 0 1 272.417 3.695 20 0 CHADMN CC[C@@H]1CN(Cc2cc(C)c3ncccc3c2)C[C@H](C)O1 ZINC000346159414 1123668950 /nfs/dbraw/zinc/66/89/50/1123668950.db2.gz VGHQDHLZXSISHE-WMLDXEAASA-N 0 1 284.403 3.543 20 0 CHADMN Cc1cccc2nc(CN3CCCc4ccccc4C3)cn21 ZINC000346161242 1123669079 /nfs/dbraw/zinc/66/90/79/1123669079.db2.gz JUSOCYVZPNSFOZ-UHFFFAOYSA-N 0 1 291.398 3.591 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@@H]1CCCc3ccccc31)CO2 ZINC000346196740 1123670928 /nfs/dbraw/zinc/67/09/28/1123670928.db2.gz PGOZTJROWBKYGU-IAGOWNOFSA-N 0 1 283.346 3.926 20 0 CHADMN CCc1cnc(CN(C)[C@H]2CCc3ccccc3C2)s1 ZINC000346232749 1123673676 /nfs/dbraw/zinc/67/36/76/1123673676.db2.gz YPNVQLLYASPOBW-HNNXBMFYSA-N 0 1 286.444 3.695 20 0 CHADMN COC(C)(C)[C@H](C)NCc1csc(-c2ccccc2)n1 ZINC000671118182 1129138356 /nfs/dbraw/zinc/13/83/56/1129138356.db2.gz WLOMGNSSWPZONA-LBPRGKRZSA-N 0 1 290.432 3.713 20 0 CHADMN CCN(Cc1ccnc(F)c1)[C@H](C)c1cccc(OC)c1 ZINC000859090509 1123683772 /nfs/dbraw/zinc/68/37/72/1123683772.db2.gz RWUWSKIGWDHASS-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN FC1(F)CC[C@@H](CN[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000281205546 1123687469 /nfs/dbraw/zinc/68/74/69/1123687469.db2.gz TXRWLXDQIOAVCO-TZMCWYRMSA-N 0 1 291.345 3.524 20 0 CHADMN Cc1nc([C@H](C)NC(C2CCCC2)C2CCCC2)no1 ZINC000859232334 1123691754 /nfs/dbraw/zinc/69/17/54/1123691754.db2.gz HBESBPIRARHMEY-NSHDSACASA-N 0 1 277.412 3.778 20 0 CHADMN COc1cc2c(cc1F)CC[C@H]2N[C@H](C)c1ccccn1 ZINC000281286101 1123694405 /nfs/dbraw/zinc/69/44/05/1123694405.db2.gz QCMGYBRPSSDCBO-BDJLRTHQSA-N 0 1 286.350 3.567 20 0 CHADMN Cc1ccc(C)c(COc2ccccc2-c2nnc[nH]2)c1 ZINC000158105984 1129139198 /nfs/dbraw/zinc/13/91/98/1129139198.db2.gz RXYUILRXDFAXCL-UHFFFAOYSA-N 0 1 279.343 3.668 20 0 CHADMN Fc1ccc([C@@H](NCCC(F)(F)F)c2cccnc2)cc1 ZINC000346556869 1123695272 /nfs/dbraw/zinc/69/52/72/1123695272.db2.gz KDQPSBKDFXITAQ-CQSZACIVSA-N 0 1 298.283 3.852 20 0 CHADMN CO[C@@H]1C[C@H](N[C@H](C)c2csc(C(C)C)n2)C1(C)C ZINC000346555152 1123695395 /nfs/dbraw/zinc/69/53/95/1123695395.db2.gz BXQLGMWCIVXEIJ-KGYLQXTDSA-N 0 1 282.453 3.731 20 0 CHADMN CC(C)[C@]1(C)C[C@@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000346618763 1123698267 /nfs/dbraw/zinc/69/82/67/1123698267.db2.gz ZCBJHSSSWLYGCB-BZNIZROVSA-N 0 1 282.347 3.763 20 0 CHADMN c1coc(-c2ncc(CNc3ccc4nc[nH]c4c3)s2)c1 ZINC000346652387 1123701824 /nfs/dbraw/zinc/70/18/24/1123701824.db2.gz QVTPEPLZPWVEKT-UHFFFAOYSA-N 0 1 296.355 3.892 20 0 CHADMN CC1(CN[C@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000346631047 1123702848 /nfs/dbraw/zinc/70/28/48/1123702848.db2.gz KTVMJCPWAZFCGS-MRXNPFEDSA-N 0 1 288.341 3.839 20 0 CHADMN CC1(CN[C@@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000346631046 1123703315 /nfs/dbraw/zinc/70/33/15/1123703315.db2.gz KTVMJCPWAZFCGS-INIZCTEOSA-N 0 1 288.341 3.839 20 0 CHADMN CSCCCN(C)Cc1nc(-c2ccccc2)oc1C ZINC000281408829 1123706928 /nfs/dbraw/zinc/70/69/28/1123706928.db2.gz NZDGCWRWOHGZGH-UHFFFAOYSA-N 0 1 290.432 3.835 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(SC)cc2)nc1 ZINC000281479739 1123711824 /nfs/dbraw/zinc/71/18/24/1123711824.db2.gz SHBYWGHYVWAUSA-LBPRGKRZSA-N 0 1 288.416 3.663 20 0 CHADMN Cc1cccc([C@@H](NCc2cnc(Cl)cn2)C(C)C)c1 ZINC000859851980 1123714118 /nfs/dbraw/zinc/71/41/18/1123714118.db2.gz KHQJYLCSZHZAPM-INIZCTEOSA-N 0 1 289.810 3.925 20 0 CHADMN Cc1nnc([C@H](C)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)s1 ZINC000859929238 1123715856 /nfs/dbraw/zinc/71/58/56/1123715856.db2.gz VVMZNAWRJKWCTR-VCOSZWKGSA-N 0 1 299.443 3.643 20 0 CHADMN CC(C)n1ccc(CN2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)n1 ZINC000859929708 1123715894 /nfs/dbraw/zinc/71/58/94/1123715894.db2.gz JEYQRMGOIQRUTD-YTQUADARSA-N 0 1 295.430 3.700 20 0 CHADMN C[C@H](NC1(c2ccc(F)cc2)CC1)c1ccncc1 ZINC000346795942 1123715959 /nfs/dbraw/zinc/71/59/59/1123715959.db2.gz MSSRCBMYCOFZNA-LBPRGKRZSA-N 0 1 256.324 3.561 20 0 CHADMN C/C=C\C[C@@H]1CCCN(Cc2c(C)nn(C)c2Cl)C1 ZINC000860180344 1123724409 /nfs/dbraw/zinc/72/44/09/1123724409.db2.gz QVLBHSAFJGGASR-DSYXLKISSA-N 0 1 281.831 3.560 20 0 CHADMN CCN(Cc1cncc(F)c1)[C@H](C)c1cccc(OC)c1 ZINC000346834943 1123725080 /nfs/dbraw/zinc/72/50/80/1123725080.db2.gz ZCKFPCMJWWSWHZ-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN COc1ccncc1CN(C)Cc1cccc2ccccc21 ZINC000346834920 1123725137 /nfs/dbraw/zinc/72/51/37/1123725137.db2.gz YTWSQQIABWPFDY-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN COc1ccncc1CN1CCC[C@@H]1c1cccc(C)c1 ZINC000346838042 1123725268 /nfs/dbraw/zinc/72/52/68/1123725268.db2.gz FCPFCIQQSHKFPA-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN COc1ccncc1CN(Cc1ccccc1)CC1CCC1 ZINC000346843798 1123725896 /nfs/dbraw/zinc/72/58/96/1123725896.db2.gz XFXSKAUVZUCUTA-UHFFFAOYSA-N 0 1 296.414 3.893 20 0 CHADMN C[C@H](NCCOC1CCC1)c1c(F)cccc1Cl ZINC000346951497 1123735957 /nfs/dbraw/zinc/73/59/57/1123735957.db2.gz CKRRFZZZDPSLDA-JTQLQIEISA-N 0 1 271.763 3.699 20 0 CHADMN c1cncc([C@@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)c1 ZINC000346982549 1123738583 /nfs/dbraw/zinc/73/85/83/1123738583.db2.gz NQKOMMMCMLTDIA-IBGZPJMESA-N 0 1 289.382 3.967 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1ccoc1C1CC1 ZINC000336322831 1123761272 /nfs/dbraw/zinc/76/12/72/1123761272.db2.gz LTYKHCGHRHZBIV-UHFFFAOYSA-N 0 1 277.707 3.768 20 0 CHADMN C[C@@H](NCc1cnc(Cl)n1C)c1cccc(Cl)c1 ZINC000848525298 1123761608 /nfs/dbraw/zinc/76/16/08/1123761608.db2.gz LUXHZMKHGYZPRX-SECBINFHSA-N 0 1 284.190 3.578 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC[C@]3(CC=CCC3)C2)o1 ZINC000336333556 1123762575 /nfs/dbraw/zinc/76/25/75/1123762575.db2.gz NDHJFSDAPMRPIU-CZUORRHYSA-N 0 1 275.396 3.515 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@H](C)c1ccncc1F)CCC2 ZINC000336381636 1123768011 /nfs/dbraw/zinc/76/80/11/1123768011.db2.gz QJXWVSDUZJPPOX-RNCFNFMXSA-N 0 1 291.395 3.714 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1nc(C2CCC2)no1 ZINC000639524908 1123771913 /nfs/dbraw/zinc/77/19/13/1123771913.db2.gz CTIJDAPKJKIYFB-XJKSGUPXSA-N 0 1 297.402 3.715 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CCN1Cc1nc(C2CCC2)no1 ZINC000639524908 1123771916 /nfs/dbraw/zinc/77/19/16/1123771916.db2.gz CTIJDAPKJKIYFB-XJKSGUPXSA-N 0 1 297.402 3.715 20 0 CHADMN CC(C)c1ccc(NC(=O)CN2CCCC[C@@H]2C)cc1 ZINC000007486553 1123774808 /nfs/dbraw/zinc/77/48/08/1123774808.db2.gz XPLRMNDSJREMRS-AWEZNQCLSA-N 0 1 274.408 3.623 20 0 CHADMN Cc1cccc(-c2noc(CN([C@H](C)C3CC3)C3CC3)n2)c1 ZINC000042123794 1123781181 /nfs/dbraw/zinc/78/11/81/1123781181.db2.gz YRPYMIGUXAZGLI-CYBMUJFWSA-N 0 1 297.402 3.808 20 0 CHADMN C[C@H]1C[C@@H](NCc2csc(C(F)(F)F)n2)CCS1 ZINC000896953141 1123792230 /nfs/dbraw/zinc/79/22/30/1123792230.db2.gz VOKAEKSXZVVTEO-YUMQZZPRSA-N 0 1 296.383 3.536 20 0 CHADMN Cc1c(CN(Cc2ccccc2)C2CC2)ccnc1F ZINC000862215154 1123792555 /nfs/dbraw/zinc/79/25/55/1123792555.db2.gz DVTWBEYFDOVQIQ-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN CCN(Cc1ccnc(F)c1C)[C@H](C)c1cccc(O)c1 ZINC000862227958 1123793293 /nfs/dbraw/zinc/79/32/93/1123793293.db2.gz JYKGHFFVRSLJRE-CYBMUJFWSA-N 0 1 288.366 3.818 20 0 CHADMN Cc1c(F)nccc1CNCc1cccc(C(F)(F)F)c1 ZINC000862264499 1123796438 /nfs/dbraw/zinc/79/64/38/1123796438.db2.gz UAQCZDHGCXBVOE-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3nc(Cl)ccc32)nc1C ZINC000840782399 1123796857 /nfs/dbraw/zinc/79/68/57/1123796857.db2.gz CBNDMGAXXWKWJM-CQSZACIVSA-N 0 1 287.794 3.524 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(Cl)nc2)nc1C ZINC000840784364 1123797153 /nfs/dbraw/zinc/79/71/53/1123797153.db2.gz QUBXDRXUTRYZSW-GFCCVEGCSA-N 0 1 275.783 3.598 20 0 CHADMN Cc1c(CN2C[C@H](C)C[C@H]2c2cccnc2)ccnc1F ZINC000862326026 1123799852 /nfs/dbraw/zinc/79/98/52/1123799852.db2.gz IHFNRGKHFBIVIJ-WBMJQRKESA-N 0 1 285.366 3.507 20 0 CHADMN C[C@H](NCCOC1CCCC1)c1cc(F)ccc1F ZINC000104447683 1123802192 /nfs/dbraw/zinc/80/21/92/1123802192.db2.gz ZHTOOZMPDNEQDY-NSHDSACASA-N 0 1 269.335 3.575 20 0 CHADMN c1ccc2nc(CNc3cc4c(cn3)CCCC4)cnc2c1 ZINC000862373352 1123805088 /nfs/dbraw/zinc/80/50/88/1123805088.db2.gz DSIZATHDECDBOH-UHFFFAOYSA-N 0 1 290.370 3.516 20 0 CHADMN Cc1ccc2nc(C[N@H+]3CCC[C@H]3C(C)(C)C)cn2c1 ZINC000532573613 1123809754 /nfs/dbraw/zinc/80/97/54/1123809754.db2.gz IHLYXWVNAUJIQH-HNNXBMFYSA-N 0 1 271.408 3.653 20 0 CHADMN C[C@H](N[C@H](c1ccco1)c1ccccc1)[C@H]1CCCCO1 ZINC000379226576 1123816210 /nfs/dbraw/zinc/81/62/10/1123816210.db2.gz MQUGJDCOTYJIMR-LESCRADOSA-N 0 1 285.387 3.916 20 0 CHADMN C/C=C\C[C@H]1CCCN(Cc2coc(C3CC3)n2)C1 ZINC000862551052 1123819177 /nfs/dbraw/zinc/81/91/77/1123819177.db2.gz QHGCYBJAOYIQPS-ZRMMWKCHSA-N 0 1 260.381 3.730 20 0 CHADMN CC/C=C\CCN1CCn2c(Cl)ccc2[C@H]1C ZINC000794446928 1123827424 /nfs/dbraw/zinc/82/74/24/1123827424.db2.gz UNGCBDOBFVPHDZ-QMAVJUDZSA-N 0 1 252.789 3.874 20 0 CHADMN CC/C=C/CCN1CCn2c(Cl)ccc2[C@H]1C ZINC000794446934 1123828272 /nfs/dbraw/zinc/82/82/72/1123828272.db2.gz UNGCBDOBFVPHDZ-ZYOFXKKJSA-N 0 1 252.789 3.874 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000475272192 1123832877 /nfs/dbraw/zinc/83/28/77/1123832877.db2.gz XXJVCYBFFROSPH-JQWIXIFHSA-N 0 1 275.289 3.907 20 0 CHADMN C[C@H](N(C)CN1C[C@H](c2ccccc2)OC1=O)C(C)(C)C ZINC000863256339 1123856245 /nfs/dbraw/zinc/85/62/45/1123856245.db2.gz PNJLXXQFUORDBE-DZGCQCFKSA-N 0 1 290.407 3.504 20 0 CHADMN FC(F)(Cl)CCSc1nc(-c2ccccc2)n[nH]1 ZINC000863253843 1123856319 /nfs/dbraw/zinc/85/63/19/1123856319.db2.gz QVFPVXRENGDXIC-UHFFFAOYSA-N 0 1 289.738 3.786 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(C)oc2C)cc1 ZINC000119392392 1123858222 /nfs/dbraw/zinc/85/82/22/1123858222.db2.gz ZZHIFGBTDFMWLJ-GFCCVEGCSA-N 0 1 259.349 3.756 20 0 CHADMN CCCn1c(C)nnc1CN1CCC[C@H](C(C)(C)C)CC1 ZINC000158663636 1129150066 /nfs/dbraw/zinc/15/00/66/1129150066.db2.gz PJFXDWGIGRDHLV-HNNXBMFYSA-N 0 1 292.471 3.645 20 0 CHADMN C/C=C\C[C@H]1CCCN(Cn2cc(C)cnc2=S)C1 ZINC000863341598 1123862393 /nfs/dbraw/zinc/86/23/93/1123862393.db2.gz SWMDFPOSUVDFOC-NQHOJNORSA-N 0 1 277.437 3.557 20 0 CHADMN Cc1cccnc1[C@H](N[C@H](C)c1cncnc1C)C(C)C ZINC000655716843 1123877290 /nfs/dbraw/zinc/87/72/90/1123877290.db2.gz YPCVEFIQNXTJOI-GDBMZVCRSA-N 0 1 284.407 3.536 20 0 CHADMN CCN[C@H](C)c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC000863670726 1123887497 /nfs/dbraw/zinc/88/74/97/1123887497.db2.gz RVJFCNIYFQZYAN-SSDOTTSWSA-N 0 1 286.162 3.714 20 0 CHADMN CN(C)Cc1cc(CNc2nc3ccccc3o2)ccc1F ZINC000301301294 1123889541 /nfs/dbraw/zinc/88/95/41/1123889541.db2.gz RICNNHUBIOPURY-UHFFFAOYSA-N 0 1 299.349 3.641 20 0 CHADMN C[C@@](O)(CNc1ccnc2cc(F)ccc21)c1ccccc1 ZINC000301306875 1123891437 /nfs/dbraw/zinc/89/14/37/1123891437.db2.gz YXPGYGCVFYTRBG-GOSISDBHSA-N 0 1 296.345 3.694 20 0 CHADMN c1cc2cc(NCc3ccc4nc[nH]c4c3)ccc2o1 ZINC000864017240 1123910017 /nfs/dbraw/zinc/91/00/17/1123910017.db2.gz APYWOJXDHDIYNO-UHFFFAOYSA-N 0 1 263.300 3.921 20 0 CHADMN O=C(c1cccc2[nH]cnc21)N1CCC[C@@H]1C1CCCCC1 ZINC000159058712 1129157844 /nfs/dbraw/zinc/15/78/44/1129157844.db2.gz DTTBZOMBOSTKMF-MRXNPFEDSA-N 0 1 297.402 3.748 20 0 CHADMN CCS[C@@H]1CCC[C@@H]1NCc1ncc(C(C)C)o1 ZINC000794606075 1123921670 /nfs/dbraw/zinc/92/16/70/1123921670.db2.gz SMXUDDLGTQLHEG-WCQYABFASA-N 0 1 268.426 3.562 20 0 CHADMN COc1ccc(CNc2cc(C)nc3ccc(F)cc32)cn1 ZINC000301657135 1123921904 /nfs/dbraw/zinc/92/19/04/1123921904.db2.gz IBQCHGUWGREWIW-UHFFFAOYSA-N 0 1 297.333 3.698 20 0 CHADMN CCCN(Cc1ccnc(C)c1)Cc1ccccc1F ZINC000621251844 1129154011 /nfs/dbraw/zinc/15/40/11/1129154011.db2.gz LJGGLIWZRLFCBG-UHFFFAOYSA-N 0 1 272.367 3.941 20 0 CHADMN Fc1ccc2c(c1)nccc2N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000301805108 1123934867 /nfs/dbraw/zinc/93/48/67/1123934867.db2.gz DWJIZXSGPYXWMP-XKQJLSEDSA-N 0 1 298.361 3.743 20 0 CHADMN CN(C)Cc1ccc(CNc2nc3ccccc3o2)cc1F ZINC000301852158 1123938023 /nfs/dbraw/zinc/93/80/23/1123938023.db2.gz BLUGFRUKWQHGIA-UHFFFAOYSA-N 0 1 299.349 3.641 20 0 CHADMN C[C@H]1CCc2ccccc2[C@@H]1NCc1cccnc1F ZINC000794826723 1123962631 /nfs/dbraw/zinc/96/26/31/1123962631.db2.gz DVAYCOAULLKKCN-BLLLJJGKSA-N 0 1 270.351 3.634 20 0 CHADMN FC(F)(F)Cc1ccc(CNc2nccn2C2CC2)cc1 ZINC000865293155 1123970786 /nfs/dbraw/zinc/97/07/86/1123970786.db2.gz BNRONFZGEUMWTP-UHFFFAOYSA-N 0 1 295.308 3.935 20 0 CHADMN O=C(Nc1ccc(Cl)c(F)c1)c1cccc2nc[nH]c21 ZINC000159013892 1129157123 /nfs/dbraw/zinc/15/71/23/1129157123.db2.gz MQTBKDMMIWCYPP-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN O=c1[nH]ccc2oc(CN[C@@H]3CCCc4ccccc43)cc21 ZINC000865397809 1123980183 /nfs/dbraw/zinc/98/01/83/1123980183.db2.gz NOBOSOIDMGKNDB-MRXNPFEDSA-N 0 1 294.354 3.701 20 0 CHADMN CCOc1cc(F)cc(CNCc2ccccc2OC)c1 ZINC000865398191 1123980210 /nfs/dbraw/zinc/98/02/10/1123980210.db2.gz SYUYUIWOLYMWPX-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN CC(C)[C@H](NCc1cn(C2CC2)cn1)c1ccc(F)cc1 ZINC000865405824 1123981336 /nfs/dbraw/zinc/98/13/36/1123981336.db2.gz XKENUUCDDVGTMW-KRWDZBQOSA-N 0 1 287.382 3.844 20 0 CHADMN CCC[C@H](NCc1cn(C2CC2)cn1)c1ccccc1 ZINC000865402989 1123981352 /nfs/dbraw/zinc/98/13/52/1123981352.db2.gz KUZFMYGFELWCAX-KRWDZBQOSA-N 0 1 269.392 3.849 20 0 CHADMN c1csc([C@H](NCc2cn(C3CC3)cn2)C2CC2)c1 ZINC000865406356 1123981426 /nfs/dbraw/zinc/98/14/26/1123981426.db2.gz QTSCWEAUEFJGTF-OAHLLOKOSA-N 0 1 273.405 3.520 20 0 CHADMN FC(F)(F)c1cnccc1N1CCc2sccc2C1 ZINC000865424662 1123983391 /nfs/dbraw/zinc/98/33/91/1123983391.db2.gz CIZITIKJDFLEMR-UHFFFAOYSA-N 0 1 284.306 3.725 20 0 CHADMN C[C@H]1CCc2c(F)cccc2[C@H]1NCc1cccnc1F ZINC000794836945 1123984194 /nfs/dbraw/zinc/98/41/94/1123984194.db2.gz SKPXXTZAKVIILA-ZBEGNZNMSA-N 0 1 288.341 3.773 20 0 CHADMN Cc1ncc(CNCc2cccc(OC(C)(C)C)c2)s1 ZINC000865450580 1123985131 /nfs/dbraw/zinc/98/51/31/1123985131.db2.gz DXULNGROXCFWQO-UHFFFAOYSA-N 0 1 290.432 3.919 20 0 CHADMN CCCCc1ccc(NC(=O)c2[nH]c(C)nc2C)cc1 ZINC000621270900 1129158836 /nfs/dbraw/zinc/15/88/36/1129158836.db2.gz OOFXGJYGLMYYTL-UHFFFAOYSA-N 0 1 271.364 3.621 20 0 CHADMN Fc1ccc([C@H](NCc2cn(C3CC3)cn2)C2CCC2)cc1 ZINC000865448236 1123985524 /nfs/dbraw/zinc/98/55/24/1123985524.db2.gz BXHAHVPIPGMCAY-GOSISDBHSA-N 0 1 299.393 3.988 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000380310769 1123989672 /nfs/dbraw/zinc/98/96/72/1123989672.db2.gz UWBLOXLTAZWZRM-FOGDFJRCSA-N 0 1 299.773 3.583 20 0 CHADMN Clc1cncc(Cl)c1CNC[C@H]1CCCCS1 ZINC000865526698 1123992380 /nfs/dbraw/zinc/99/23/80/1123992380.db2.gz VHWHVTTYHHMWQM-SECBINFHSA-N 0 1 291.247 3.764 20 0 CHADMN OCC[C@@H](NCc1cccc(CC2CCC2)c1)c1ccco1 ZINC000865530316 1123992767 /nfs/dbraw/zinc/99/27/67/1123992767.db2.gz IJRAIIIWTTZXAJ-GOSISDBHSA-N 0 1 299.414 3.836 20 0 CHADMN Fc1cc(CNc2nccn2C2CC2)cc(C(F)(F)F)c1 ZINC000840887833 1123998815 /nfs/dbraw/zinc/99/88/15/1123998815.db2.gz WWKKWUPBRQDICX-UHFFFAOYSA-N 0 1 299.271 3.988 20 0 CHADMN Cc1cc(C)c(CNc2nccn2C2CC2)c(C)c1 ZINC000840887652 1123999269 /nfs/dbraw/zinc/99/92/69/1123999269.db2.gz RZMLKJLZACRHDH-UHFFFAOYSA-N 0 1 255.365 3.755 20 0 CHADMN c1cn(C2CC2)c(NCc2cc3ccccc3o2)n1 ZINC000840887671 1123999366 /nfs/dbraw/zinc/99/93/66/1123999366.db2.gz SPUGZZLGMJNSLZ-UHFFFAOYSA-N 0 1 253.305 3.576 20 0 CHADMN Cc1ccnc(CNC2CC3(CCC3)C2)c1Br ZINC000865618553 1123999715 /nfs/dbraw/zinc/99/97/15/1123999715.db2.gz ZGPFYUMOMKSSEX-UHFFFAOYSA-N 0 1 295.224 3.575 20 0 CHADMN CC(C)(NCc1cncc(Cl)c1)c1cccc(F)c1 ZINC000621273870 1129160144 /nfs/dbraw/zinc/16/01/44/1129160144.db2.gz QAUFIUXWOQSPIA-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN Cc1ccnc(CN[C@@H]2CCCC23CC3)c1Br ZINC000865657744 1124003262 /nfs/dbraw/zinc/00/32/62/1124003262.db2.gz POVWMAWRFNLBQC-GFCCVEGCSA-N 0 1 295.224 3.575 20 0 CHADMN CN(CC(=O)c1c[nH]c2ccccc12)C1CCCCC1 ZINC000034988792 1124004434 /nfs/dbraw/zinc/00/44/34/1124004434.db2.gz SATVCTAMYVMYCM-UHFFFAOYSA-N 0 1 270.376 3.615 20 0 CHADMN Cc1nocc1CNCc1cccc(CC2CCC2)c1 ZINC000865679014 1124004815 /nfs/dbraw/zinc/00/48/15/1124004815.db2.gz UMYOBXPPKPPNRN-UHFFFAOYSA-N 0 1 270.376 3.615 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cnc(C(C)C)s2)s1 ZINC000865701746 1124006484 /nfs/dbraw/zinc/00/64/84/1124006484.db2.gz IDABXTZSPDLLID-SECBINFHSA-N 0 1 281.450 3.882 20 0 CHADMN F[C@@H]1CCCC[C@@H]1NCc1cnc(-c2ccccc2)nc1 ZINC000865699676 1124007141 /nfs/dbraw/zinc/00/71/41/1124007141.db2.gz YRWQNRGQGNBBBA-CVEARBPZSA-N 0 1 285.366 3.514 20 0 CHADMN CCc1csc(N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)n1 ZINC000865724109 1124007926 /nfs/dbraw/zinc/00/79/26/1124007926.db2.gz HLMYZEWOVQZTOJ-DTWKUNHWSA-N 0 1 279.413 3.510 20 0 CHADMN CC/C=C(/F)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000865727573 1124008717 /nfs/dbraw/zinc/00/87/17/1124008717.db2.gz BJAPLPCPNJYBMD-JVVDXDAESA-N 0 1 295.745 3.657 20 0 CHADMN CC(C)(C)c1cnc(CNC(C)(C)[C@@H]2CCCCO2)s1 ZINC000865744355 1124009453 /nfs/dbraw/zinc/00/94/53/1124009453.db2.gz UETAVMPFXSGAFA-LBPRGKRZSA-N 0 1 296.480 3.878 20 0 CHADMN CCC(CC)(CNCc1nccn1C(C)C)C(F)(F)F ZINC000865756001 1124010516 /nfs/dbraw/zinc/01/05/16/1124010516.db2.gz AIOVIPZOUMFGBW-UHFFFAOYSA-N 0 1 291.361 3.922 20 0 CHADMN CC(C)(C)c1ccc(CNCc2[nH]nc3ccccc32)o1 ZINC000865813991 1124016558 /nfs/dbraw/zinc/01/65/58/1124016558.db2.gz DRZIYRBOUHTDIR-UHFFFAOYSA-N 0 1 283.375 3.743 20 0 CHADMN CC(C)(C)c1ccc(CNCc2cccc3nccn32)o1 ZINC000865814629 1124016628 /nfs/dbraw/zinc/01/66/28/1124016628.db2.gz MUQPHLUNTGNZRT-UHFFFAOYSA-N 0 1 283.375 3.515 20 0 CHADMN FC(F)(F)[C@@H]1CC=CC[C@H]1NCc1nc2ccccc2[nH]1 ZINC000865831860 1124018694 /nfs/dbraw/zinc/01/86/94/1124018694.db2.gz AMPVEDNQLSKFRU-GHMZBOCLSA-N 0 1 295.308 3.550 20 0 CHADMN FC(F)(F)[C@@H]1CC=CC[C@H]1NCc1cccnc1Cl ZINC000865832215 1124019262 /nfs/dbraw/zinc/01/92/62/1124019262.db2.gz LLQFMVWZQPWUBM-GHMZBOCLSA-N 0 1 290.716 3.722 20 0 CHADMN Cc1cc(Cl)nc(CNCc2c(C)cccc2C)c1 ZINC000282009423 1124024478 /nfs/dbraw/zinc/02/44/78/1124024478.db2.gz MQQSWAVUQVOBJQ-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN C[C@H](NC1CCC(C(F)(F)F)CC1)C(C)(F)F ZINC000389474297 1124029895 /nfs/dbraw/zinc/02/98/95/1124029895.db2.gz WUKNOKKTBUWKIQ-UEJVZZJDSA-N 0 1 259.262 3.741 20 0 CHADMN Cc1ccc(CN(C)Cc2cncc(Cl)c2)cc1C ZINC000621300366 1129161896 /nfs/dbraw/zinc/16/18/96/1129161896.db2.gz JAPWMNDLFSXRJV-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CCOCC1CCN(Cc2cccc(F)c2Cl)CC1 ZINC000093173956 1124039929 /nfs/dbraw/zinc/03/99/29/1124039929.db2.gz VCYJZDDEXSTDPO-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN C[C@@H]1CCCCCN1Cc1nc(-c2ccccc2F)no1 ZINC000444626181 1124046882 /nfs/dbraw/zinc/04/68/82/1124046882.db2.gz RWTNMXAJOSJKMA-GFCCVEGCSA-N 0 1 289.354 3.640 20 0 CHADMN CCOc1cncc(CN[C@H](C)c2ccc(Cl)cc2)c1 ZINC000621326150 1129162883 /nfs/dbraw/zinc/16/28/83/1129162883.db2.gz ZOKVWQSPVKRPNI-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN CC[C@H]1CCCC[C@@H]1N(C)Cc1nc(C(C)(C)C)no1 ZINC000444681040 1124053133 /nfs/dbraw/zinc/05/31/33/1124053133.db2.gz YHQAHQGIOCUULK-STQMWFEESA-N 0 1 279.428 3.768 20 0 CHADMN CC[C@@H]1CCCC[C@H]1N(C)Cc1nc(C(C)(C)C)no1 ZINC000444681037 1124053522 /nfs/dbraw/zinc/05/35/22/1124053522.db2.gz YHQAHQGIOCUULK-CHWSQXEVSA-N 0 1 279.428 3.768 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1N(C)Cc1nc(C(C)(C)C)no1 ZINC000444681038 1124053653 /nfs/dbraw/zinc/05/36/53/1124053653.db2.gz YHQAHQGIOCUULK-OLZOCXBDSA-N 0 1 279.428 3.768 20 0 CHADMN C[C@@H]1OCC[C@]1(C)NCc1nc(C2CCCCC2)cs1 ZINC000444710058 1124056337 /nfs/dbraw/zinc/05/63/37/1124056337.db2.gz UFRLWYKXWTXZAE-LRDDRELGSA-N 0 1 294.464 3.848 20 0 CHADMN Cc1cc(C)c(CN[C@@H](c2ccccn2)C(C)C)cn1 ZINC000866368813 1124058504 /nfs/dbraw/zinc/05/85/04/1124058504.db2.gz HDVWXOWJXNUQFI-QGZVFWFLSA-N 0 1 269.392 3.580 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2CCCc3c(F)cccc32)o1 ZINC000866365293 1124058619 /nfs/dbraw/zinc/05/86/19/1124058619.db2.gz UUSVKFDGBZIWCK-OAHLLOKOSA-N 0 1 288.366 3.852 20 0 CHADMN Cc1nc(CCN(C)Cc2cc(C)ccc2F)cs1 ZINC000444745831 1124059063 /nfs/dbraw/zinc/05/90/63/1124059063.db2.gz SSJBTYHVQMBXDJ-UHFFFAOYSA-N 0 1 278.396 3.574 20 0 CHADMN FC(F)C1CCC(N[C@@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866374022 1124059520 /nfs/dbraw/zinc/05/95/20/1124059520.db2.gz ZRNRWMKFIYWSBV-JTEKXYAQSA-N 0 1 299.336 3.872 20 0 CHADMN CC(C)(F)CN[C@H]1CCSc2c(F)cccc21 ZINC000866409402 1124064653 /nfs/dbraw/zinc/06/46/53/1124064653.db2.gz YYKOPNOOCCLNME-NSHDSACASA-N 0 1 257.349 3.700 20 0 CHADMN CCC[C@@]1(CO)CCCN1Cc1c(F)cccc1Cl ZINC000444769191 1124060797 /nfs/dbraw/zinc/06/07/97/1124060797.db2.gz ZAYXUSLWOPGZCY-HNNXBMFYSA-N 0 1 285.790 3.606 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1cnn2ccccc12 ZINC000353930791 1124060959 /nfs/dbraw/zinc/06/09/59/1124060959.db2.gz SNARCTIDZVIQFC-AWEZNQCLSA-N 0 1 295.386 3.584 20 0 CHADMN CCCc1ccc(CNCc2cccc3c2OCO3)s1 ZINC000621330443 1129163890 /nfs/dbraw/zinc/16/38/90/1129163890.db2.gz MQAZYJWEEFTBOE-UHFFFAOYSA-N 0 1 289.400 3.719 20 0 CHADMN Cc1c([C@H](C)N[C@@H]2CCCC[C@@H]2F)cnn1C(C)(C)C ZINC000866450287 1124067162 /nfs/dbraw/zinc/06/71/62/1124067162.db2.gz RPPJAJNWIRPEDU-TUKIKUTGSA-N 0 1 281.419 3.878 20 0 CHADMN CC(C)[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccccn1 ZINC000866451967 1124068298 /nfs/dbraw/zinc/06/82/98/1124068298.db2.gz RPMXEZYHGYZDSV-GUTXKFCHSA-N 0 1 250.361 3.649 20 0 CHADMN CC[C@H](NCc1ccnc(F)c1)c1cccc(F)c1 ZINC000866473831 1124070501 /nfs/dbraw/zinc/07/05/01/1124070501.db2.gz IJMDDGOSZHWCEE-AWEZNQCLSA-N 0 1 262.303 3.601 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H](c2ccccc2)C2CCC2)cn1 ZINC000428389681 1124073188 /nfs/dbraw/zinc/07/31/88/1124073188.db2.gz MNFDYQNCLWFWRT-RDTXWAMCSA-N 0 1 281.403 3.977 20 0 CHADMN CCC(CC)(CN[C@H]1C[C@@H](C)n2ccnc21)C(F)(F)F ZINC000866506291 1124074801 /nfs/dbraw/zinc/07/48/01/1124074801.db2.gz HLIARNSIHBDDRT-MNOVXSKESA-N 0 1 289.345 3.847 20 0 CHADMN Fc1ccc(/C=C\C[N@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000428395420 1124077003 /nfs/dbraw/zinc/07/70/03/1124077003.db2.gz BLBXGYYCEUTKGG-PFOXWKGBSA-N 0 1 289.394 3.730 20 0 CHADMN CCCc1ccc(CNCc2cn3cccc(C)c3n2)s1 ZINC000621337006 1129164943 /nfs/dbraw/zinc/16/49/43/1129164943.db2.gz HXRMEPAZIWKNEI-UHFFFAOYSA-N 0 1 299.443 3.947 20 0 CHADMN CCC(CC)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000475627589 1124081760 /nfs/dbraw/zinc/08/17/60/1124081760.db2.gz PWQBEXRIGKSDQX-GFCCVEGCSA-N 0 1 276.207 3.805 20 0 CHADMN CCN(Cc1n[nH]c(C(C)C)n1)c1cccc(Cl)c1 ZINC000428401040 1124082239 /nfs/dbraw/zinc/08/22/39/1124082239.db2.gz QEIJNLWOWJEWJE-UHFFFAOYSA-N 0 1 278.787 3.608 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](OCC3CC3)C2)cc1F ZINC000428401051 1124082406 /nfs/dbraw/zinc/08/24/06/1124082406.db2.gz OMIVVSRFMOWNNP-MRXNPFEDSA-N 0 1 277.383 3.525 20 0 CHADMN C[C@H](CCN(C)Cc1ccns1)OCc1ccccc1 ZINC000639806737 1124083179 /nfs/dbraw/zinc/08/31/79/1124083179.db2.gz FZUHHABRHSGYBN-CQSZACIVSA-N 0 1 290.432 3.570 20 0 CHADMN CCCc1ccc(CN[C@@H]2CCCc3c[nH]nc32)s1 ZINC000621341278 1129165285 /nfs/dbraw/zinc/16/52/85/1129165285.db2.gz GXFRRFOFOCEMLS-CQSZACIVSA-N 0 1 275.421 3.591 20 0 CHADMN C[C@H](N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1nccs1 ZINC000866608011 1124087063 /nfs/dbraw/zinc/08/70/63/1124087063.db2.gz CXOJSLWFZCWDLN-IVZWLZJFSA-N 0 1 276.327 3.691 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2cc3cnccc3o2)c(C)n1 ZINC000866621212 1124090646 /nfs/dbraw/zinc/09/06/46/1124090646.db2.gz PJCKBDJGSVQLAP-CMPLNLGQSA-N 0 1 296.374 3.646 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2cc(C)co2)cc1 ZINC000718069255 1129165564 /nfs/dbraw/zinc/16/55/64/1129165564.db2.gz CCHRLTGWBSJCLU-CYBMUJFWSA-N 0 1 259.349 3.838 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(F)cc1F ZINC000631757356 1124096575 /nfs/dbraw/zinc/09/65/75/1124096575.db2.gz XBEDIVOEIVZCGT-PTHKFVFGSA-N 0 1 265.225 3.566 20 0 CHADMN CSC[C@H]1CCCN1Cc1cc(F)ccc1Cl ZINC000445814269 1124102229 /nfs/dbraw/zinc/10/22/29/1124102229.db2.gz UKRRYKFGXSZQGQ-GFCCVEGCSA-N 0 1 273.804 3.807 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000086784845 1129166403 /nfs/dbraw/zinc/16/64/03/1129166403.db2.gz YVRWQYQQYJRWQB-ZBEGNZNMSA-N 0 1 297.345 3.603 20 0 CHADMN c1nc2c(s1)C[N@@H+](CCCCc1ccccc1)CC2 ZINC000445850698 1124104468 /nfs/dbraw/zinc/10/44/68/1124104468.db2.gz YHOKUDBOJJNNSW-UHFFFAOYSA-N 0 1 272.417 3.524 20 0 CHADMN c1nc2c(s1)CN(CCCCc1ccccc1)CC2 ZINC000445850698 1124104472 /nfs/dbraw/zinc/10/44/72/1124104472.db2.gz YHOKUDBOJJNNSW-UHFFFAOYSA-N 0 1 272.417 3.524 20 0 CHADMN c1nc2c(s1)CN([C@@H]1CCCc3ccccc31)CC2 ZINC000445874392 1124105845 /nfs/dbraw/zinc/10/58/45/1124105845.db2.gz JHCQYUXBUHIVOY-OAHLLOKOSA-N 0 1 270.401 3.579 20 0 CHADMN CC(C)Oc1ccc(CC[C@H](C)NCc2ccon2)cc1 ZINC000634954304 1129166583 /nfs/dbraw/zinc/16/65/83/1129166583.db2.gz ZUOPBPXTZQWEFN-AWEZNQCLSA-N 0 1 288.391 3.573 20 0 CHADMN COC1(C[C@@H](C)N[C@H](CF)c2ccc(F)cc2)CCC1 ZINC000631798422 1124106910 /nfs/dbraw/zinc/10/69/10/1124106910.db2.gz SJKUOYUHBNWZJA-IUODEOHRSA-N 0 1 283.362 3.774 20 0 CHADMN Cc1nc2ccc(Cn3cnc4cc(C)c(C)cc43)cc2[nH]1 ZINC000446066286 1124108334 /nfs/dbraw/zinc/10/83/34/1124108334.db2.gz KCJMTFYODWGJIW-UHFFFAOYSA-N 0 1 290.370 3.886 20 0 CHADMN Cc1cc(CN2C[C@H](C)O[C@H](C)[C@H]2C)c2ccccc2n1 ZINC000446071157 1124109455 /nfs/dbraw/zinc/10/94/55/1124109455.db2.gz PAUYAZAXFAYRQR-RRFJBIMHSA-N 0 1 284.403 3.541 20 0 CHADMN CCc1nc(C)c(CN2C[C@@H](C)C[C@H]2c2cccnc2)o1 ZINC000428432408 1124109910 /nfs/dbraw/zinc/10/99/10/1124109910.db2.gz YRURQAFATMOKAF-WFASDCNBSA-N 0 1 285.391 3.524 20 0 CHADMN Cc1ccc(CN2CCO[C@H](c3ccccc3C)C2)cc1 ZINC000525126372 1124116192 /nfs/dbraw/zinc/11/61/92/1124116192.db2.gz UJAMJTYACCOYIG-IBGZPJMESA-N 0 1 281.399 3.877 20 0 CHADMN CCCc1ccc(CN[C@H](C)c2ccncc2OC)s1 ZINC000621348417 1129167148 /nfs/dbraw/zinc/16/71/48/1129167148.db2.gz YSASIXGGELTYBX-GFCCVEGCSA-N 0 1 290.432 3.955 20 0 CHADMN C=Cn1cc(CN(CCC)[C@@H]2CCCc3cccnc32)cn1 ZINC000446798558 1124123028 /nfs/dbraw/zinc/12/30/28/1124123028.db2.gz CNHKLKVJHRRZRV-QGZVFWFLSA-N 0 1 296.418 3.668 20 0 CHADMN CCO[C@H](CNCc1cc(F)ccc1F)c1ccccc1 ZINC000446832446 1124124843 /nfs/dbraw/zinc/12/48/43/1124124843.db2.gz OUBIKUUVOOJADE-QGZVFWFLSA-N 0 1 291.341 3.832 20 0 CHADMN CC(C)CCN(Cc1nnc(C(C)C)[nH]1)C1CCCC1 ZINC000428457762 1124126774 /nfs/dbraw/zinc/12/67/74/1124126774.db2.gz KIZTYWNOFNOBPR-UHFFFAOYSA-N 0 1 278.444 3.719 20 0 CHADMN O=C(Nc1ccc(F)cc1F)c1ccc(O)c(Cl)c1 ZINC000019839789 1124126521 /nfs/dbraw/zinc/12/65/21/1124126521.db2.gz SKQFQEZAZYQNAM-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000525407767 1124126771 /nfs/dbraw/zinc/12/67/71/1124126771.db2.gz ISDGKEWQZGMKTJ-QWRGUYRKSA-N 0 1 291.782 3.620 20 0 CHADMN CCCc1nc(C)c(CN2CCC(OCC(C)C)CC2)o1 ZINC000428459060 1124128681 /nfs/dbraw/zinc/12/86/81/1124128681.db2.gz DJOLFFAMAYHFGS-UHFFFAOYSA-N 0 1 294.439 3.573 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cccc3nccn32)c1 ZINC000446976613 1124129899 /nfs/dbraw/zinc/12/98/99/1124129899.db2.gz XJJZCZPBDTXNEQ-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN Fc1cccc(CSCc2n[nH]c(C3CC3)n2)c1Cl ZINC000447038828 1124130188 /nfs/dbraw/zinc/13/01/88/1124130188.db2.gz PCPCNGWOCJTECU-UHFFFAOYSA-N 0 1 297.786 3.908 20 0 CHADMN C[C@H]1CCC[C@@H](CSCc2n[nH]c(C3CC3)n2)C1 ZINC000447026944 1124130441 /nfs/dbraw/zinc/13/04/41/1124130441.db2.gz BSSCUDLXLXBCKG-WDEREUQCSA-N 0 1 265.426 3.742 20 0 CHADMN C[C@@H](C1CCCCC1)N(C)Cc1cn(-c2ccccc2)nn1 ZINC000447068318 1124131015 /nfs/dbraw/zinc/13/10/15/1124131015.db2.gz OJZIRDSSSLKAKT-HNNXBMFYSA-N 0 1 298.434 3.668 20 0 CHADMN CC(C)c1nc(CN(C)Cc2ccc(C(C)C)cc2)n[nH]1 ZINC000428466809 1124131412 /nfs/dbraw/zinc/13/14/12/1124131412.db2.gz WLBDLUBYEDSMRU-UHFFFAOYSA-N 0 1 286.423 3.684 20 0 CHADMN CCc1nc(C)c(CN(C)Cc2ccc(CC)cc2)o1 ZINC000428467834 1124131962 /nfs/dbraw/zinc/13/19/62/1124131962.db2.gz KQUPJIGOQZXBFG-UHFFFAOYSA-N 0 1 272.392 3.740 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1C[C@@H](OC(C)C)c1ccccc1 ZINC000428467532 1124132030 /nfs/dbraw/zinc/13/20/30/1124132030.db2.gz ZWHADLBRAWQJAM-KBAYOESNSA-N 0 1 291.435 3.652 20 0 CHADMN CCc1nc(C)c(CN(C)[C@H](C)c2ccc(OC)cc2)o1 ZINC000428467903 1124132049 /nfs/dbraw/zinc/13/20/49/1124132049.db2.gz BRHAJAOZPZUAJU-CYBMUJFWSA-N 0 1 288.391 3.747 20 0 CHADMN CC(C)CN(Cc1c[nH]cn1)Cc1cccc(Cl)c1 ZINC000621387017 1129171204 /nfs/dbraw/zinc/17/12/04/1129171204.db2.gz XHNBBXRHKSMABV-UHFFFAOYSA-N 0 1 277.799 3.721 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000414686140 1129176067 /nfs/dbraw/zinc/17/60/67/1129176067.db2.gz UTKPDBHPFQKSTQ-UONOGXRCSA-N 0 1 255.402 3.532 20 0 CHADMN CC1(C)CCN(Cc2cccnc2OCc2ccccc2)C1 ZINC001238774522 1131245326 /nfs/dbraw/zinc/24/53/26/1131245326.db2.gz QZZFBCAZWJTIHF-UHFFFAOYSA-N 0 1 296.414 3.893 20 0 CHADMN CCCN(CCOC)Cc1cc(F)cc(C)c1Cl ZINC001238778248 1131245419 /nfs/dbraw/zinc/24/54/19/1131245419.db2.gz VAOHAYSOZOSOII-UHFFFAOYSA-N 0 1 273.779 3.646 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc3nccnc3c2)c(C)o1 ZINC001119025986 1131245508 /nfs/dbraw/zinc/24/55/08/1131245508.db2.gz RFVGLVCPDSFIME-LBPRGKRZSA-N 0 1 281.359 3.690 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CC[C@@]2(C1)CCCCO2 ZINC001238780079 1131245896 /nfs/dbraw/zinc/24/58/96/1131245896.db2.gz FCVIDTFGBIUDQY-MRXNPFEDSA-N 0 1 297.801 3.933 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@@](C)(O)CC1 ZINC001238781903 1131246061 /nfs/dbraw/zinc/24/60/61/1131246061.db2.gz WNGLQNPRSMFJCS-OAHLLOKOSA-N 0 1 285.790 3.524 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CCC[C@@](C)(O)CC1 ZINC001238781903 1131246064 /nfs/dbraw/zinc/24/60/64/1131246064.db2.gz WNGLQNPRSMFJCS-OAHLLOKOSA-N 0 1 285.790 3.524 20 0 CHADMN CCOC1CCN(Cc2c(C)cc(F)cc2Cl)CC1 ZINC001238786086 1131247420 /nfs/dbraw/zinc/24/74/20/1131247420.db2.gz VYEHMKOYDRRZNL-UHFFFAOYSA-N 0 1 285.790 3.788 20 0 CHADMN COc1cc(F)c(CN2CCCCCC2)cc1Cl ZINC001238787960 1131247429 /nfs/dbraw/zinc/24/74/29/1131247429.db2.gz JUZYCEJGUUWVOH-UHFFFAOYSA-N 0 1 271.763 3.864 20 0 CHADMN CC(C)Oc1cc(CN2CCCCC23CC3)c(F)cn1 ZINC001238799746 1131248725 /nfs/dbraw/zinc/24/87/25/1131248725.db2.gz PIHPQMBCOLCNRT-UHFFFAOYSA-N 0 1 278.371 3.526 20 0 CHADMN CCCCN(CC)Cc1cc(OC(C)C)ncc1F ZINC001238793231 1131248814 /nfs/dbraw/zinc/24/88/14/1131248814.db2.gz GNAPDVPATBKIOY-UHFFFAOYSA-N 0 1 268.376 3.630 20 0 CHADMN CC[C@@H]1CCCN1Cc1cc(Cl)c(OC)cc1F ZINC001238790164 1131248849 /nfs/dbraw/zinc/24/88/49/1131248849.db2.gz IZCTUPJWXIZCHT-LLVKDONJSA-N 0 1 271.763 3.862 20 0 CHADMN c1ccc2c(CNCc3ccc4c(c3)CCC4)noc2c1 ZINC001119437679 1131254418 /nfs/dbraw/zinc/25/44/18/1131254418.db2.gz ANMDNFWVIFBXQY-UHFFFAOYSA-N 0 1 278.355 3.606 20 0 CHADMN Cc1cn[nH]c1CS[C@H](C)c1nccn1-c1ccccc1 ZINC001119538809 1131257516 /nfs/dbraw/zinc/25/75/16/1131257516.db2.gz DECGTDSZPPLDKG-CYBMUJFWSA-N 0 1 298.415 3.898 20 0 CHADMN Cc1cc(C)cc(C2=NN(C3CCCC3)C(=O)C2)c1 ZINC001245947947 1131259050 /nfs/dbraw/zinc/25/90/50/1131259050.db2.gz COJLLGSCVNSUJT-UHFFFAOYSA-N 0 1 256.349 3.988 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1ccccc1F ZINC000525637627 1124451450 /nfs/dbraw/zinc/45/14/50/1124451450.db2.gz VLVUEPJFXOTDCZ-ZDUSSCGKSA-N 0 1 255.336 3.773 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2cc(C)ncn2)cc1 ZINC000428473591 1124455075 /nfs/dbraw/zinc/45/50/75/1124455075.db2.gz NAIWDEHPLSWDPE-SFHVURJKSA-N 0 1 297.402 3.521 20 0 CHADMN COc1cccc(F)c1[C@H](C)NCc1ccc2nc[nH]c2c1 ZINC000525695975 1124456733 /nfs/dbraw/zinc/45/67/33/1124456733.db2.gz VPXYQLQRXWCGIB-NSHDSACASA-N 0 1 299.349 3.561 20 0 CHADMN CC(C)c1nsc(CN[C@H](C)[C@H](C)c2ccccc2)n1 ZINC001119698100 1131261677 /nfs/dbraw/zinc/26/16/77/1131261677.db2.gz JHSHIAKHBNVZHE-QWHCGFSZSA-N 0 1 289.448 3.943 20 0 CHADMN CCCN(CC(C)C)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000339079977 1124464108 /nfs/dbraw/zinc/46/41/08/1124464108.db2.gz SZSIHISJYJQGPN-UHFFFAOYSA-N 0 1 291.420 3.646 20 0 CHADMN CCN(Cc1ccc(C)cc1Cl)C[C@@H]1CCCO1 ZINC000447345794 1124466323 /nfs/dbraw/zinc/46/63/23/1124466323.db2.gz QXMQIOBIYVZFSS-AWEZNQCLSA-N 0 1 267.800 3.649 20 0 CHADMN Cc1nnsc1[C@H](C)N[C@H](c1ccccc1C)C1CC1 ZINC001119698970 1131261945 /nfs/dbraw/zinc/26/19/45/1131261945.db2.gz YYXYHHKCZCJPQK-NHYWBVRUSA-N 0 1 287.432 3.957 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC(c3ncc[nH]3)CC2)c1 ZINC000525834914 1124469463 /nfs/dbraw/zinc/46/94/63/1124469463.db2.gz YXXIOJATFWTZSI-UHFFFAOYSA-N 0 1 293.773 3.582 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1ccc(Cl)cn1)c1cnn(C)c1 ZINC001119708673 1131262967 /nfs/dbraw/zinc/26/29/67/1131262967.db2.gz AVEAQRZBXFLTQX-IAQYHMDHSA-N 0 1 292.814 3.516 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@@H]1CCCc2occc21 ZINC000447581128 1124497972 /nfs/dbraw/zinc/49/79/72/1124497972.db2.gz SCIHCIDTUNOMMO-BLLLJJGKSA-N 0 1 270.376 3.965 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccc3cc[nH]c3c2)c1 ZINC000447643871 1124502615 /nfs/dbraw/zinc/50/26/15/1124502615.db2.gz REOUWLKJKAMQAQ-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN CCc1cnc(CN2CCC(C(C)(C)C)CC2)s1 ZINC000526073993 1124503540 /nfs/dbraw/zinc/50/35/40/1124503540.db2.gz SGQNLALOTUAMML-UHFFFAOYSA-N 0 1 266.454 3.964 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(C)oc2C)cc1F ZINC000163285961 1124505830 /nfs/dbraw/zinc/50/58/30/1124505830.db2.gz TWUHLDSPQXYPCU-LLVKDONJSA-N 0 1 277.339 3.895 20 0 CHADMN C[C@H](C1CC1)N(Cc1cnc(C(F)(F)F)s1)C1CC1 ZINC000447735516 1124517219 /nfs/dbraw/zinc/51/72/19/1124517219.db2.gz FGOCNUABQLTYME-MRVPVSSYSA-N 0 1 290.354 3.925 20 0 CHADMN C[C@H](CCN(C)CC(=O)Nc1ccccc1)c1ccccc1 ZINC000447733966 1124518084 /nfs/dbraw/zinc/51/80/84/1124518084.db2.gz RNMVOUUCGNTUJI-MRXNPFEDSA-N 0 1 296.414 3.751 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1Cc1cnc(C(F)(F)F)s1 ZINC000447748346 1124519171 /nfs/dbraw/zinc/51/91/71/1124519171.db2.gz XIVZEBHICRQTAS-BDAKNGLRSA-N 0 1 278.343 3.782 20 0 CHADMN C=Cn1cc(CN(C)[C@@H](C)c2ccc(C)cc2C)cn1 ZINC000447796944 1124524634 /nfs/dbraw/zinc/52/46/34/1124524634.db2.gz ZSSWZNIGSWOCQK-HNNXBMFYSA-N 0 1 269.392 3.793 20 0 CHADMN C=Cn1cc(CN2CC=C(c3ccc(Cl)cc3)CC2)cn1 ZINC000447794041 1124527440 /nfs/dbraw/zinc/52/74/40/1124527440.db2.gz BPNKMSUMHAMMJF-UHFFFAOYSA-N 0 1 299.805 3.926 20 0 CHADMN C[C@@H]1C[C@@H](C)N1C(=O)c1cc(Cl)c2ccccc2c1O ZINC000526931559 1124528761 /nfs/dbraw/zinc/52/87/61/1124528761.db2.gz QFTNLFYMYTZCGS-NXEZZACHSA-N 0 1 289.762 3.822 20 0 CHADMN CCCCN[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000122945330 1124545958 /nfs/dbraw/zinc/54/59/58/1124545958.db2.gz JHAWZFZCCZCNQR-SNVBAGLBSA-N 0 1 279.771 3.841 20 0 CHADMN CC[C@H](NCc1ccc(OC)o1)c1ccc(F)cc1 ZINC001119954043 1131268399 /nfs/dbraw/zinc/26/83/99/1131268399.db2.gz HBYMPSVUPVBHKS-AWEZNQCLSA-N 0 1 263.312 3.668 20 0 CHADMN CCCCNc1cc(C)nc(N[C@H](C)c2cncs2)n1 ZINC001119983821 1131269344 /nfs/dbraw/zinc/26/93/44/1131269344.db2.gz RCXLTBRRMVIGID-LLVKDONJSA-N 0 1 291.424 3.627 20 0 CHADMN COc1ccccc1[C@@H](CC(C)C)N[C@@H](C)c1ccnnc1 ZINC000925209899 1124578296 /nfs/dbraw/zinc/57/82/96/1124578296.db2.gz UOVYNZMHNKYIFG-WMLDXEAASA-N 0 1 299.418 3.923 20 0 CHADMN CC(C)(C)C[C@H]1CCN(Cc2nc(C(C)(C)C)no2)C1 ZINC000448554062 1124586043 /nfs/dbraw/zinc/58/60/43/1124586043.db2.gz HFAVCKRMANXJLJ-GFCCVEGCSA-N 0 1 279.428 3.625 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NCC1CCC2(CC2)CC1 ZINC000871017756 1124591391 /nfs/dbraw/zinc/59/13/91/1124591391.db2.gz QVJSLOFDBBGQBJ-UHFFFAOYSA-N 0 1 289.423 3.542 20 0 CHADMN Cc1cnccc1CN[C@H](C)c1ccc(F)cc1F ZINC000228659773 1124606977 /nfs/dbraw/zinc/60/69/77/1124606977.db2.gz XNUZALOOGSOCKC-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN COc1ccc(-c2cccc3cncn32)cc1OC(C)C ZINC001238931601 1131272700 /nfs/dbraw/zinc/27/27/00/1131272700.db2.gz NJNDQKXFXAJEPV-UHFFFAOYSA-N 0 1 282.343 3.797 20 0 CHADMN Cc1c([C@H](C)NCc2ccc(C(F)F)c(F)c2)cnn1C ZINC001120250971 1131272835 /nfs/dbraw/zinc/27/28/35/1131272835.db2.gz ZMKKXHQPZKFZJH-VIFPVBQESA-N 0 1 297.324 3.656 20 0 CHADMN Cc1oc(C[N@@H+](C)CC2CCC3(CC3)CC2)cc1C(=O)[O-] ZINC001120266577 1131273748 /nfs/dbraw/zinc/27/37/48/1131273748.db2.gz UPIYDGDOWIXXJU-UHFFFAOYSA-N 0 1 291.391 3.688 20 0 CHADMN CCN(C)Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449009519 1124633584 /nfs/dbraw/zinc/63/35/84/1124633584.db2.gz OIQJPCNVLVLJDM-UHFFFAOYSA-N 0 1 268.332 3.540 20 0 CHADMN CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2ccncc2F)c1 ZINC000449029019 1124635032 /nfs/dbraw/zinc/63/50/32/1124635032.db2.gz NHCMKDNEBFWFIO-SFHVURJKSA-N 0 1 299.393 3.624 20 0 CHADMN CN(C)c1cccc([C@@H]2CCCN2Cc2ccncc2F)c1 ZINC000449029019 1124635034 /nfs/dbraw/zinc/63/50/34/1124635034.db2.gz NHCMKDNEBFWFIO-SFHVURJKSA-N 0 1 299.393 3.624 20 0 CHADMN Fc1cnccc1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000449034760 1124636799 /nfs/dbraw/zinc/63/67/99/1124636799.db2.gz KQZWQGJAFZHIMG-INIZCTEOSA-N 0 1 260.356 3.543 20 0 CHADMN COc1cc(C)ccc1CN(C)[C@H](CCO)c1ccccc1 ZINC000449037587 1124638044 /nfs/dbraw/zinc/63/80/44/1124638044.db2.gz ZXXXSWJXLFBMQX-GOSISDBHSA-N 0 1 299.414 3.559 20 0 CHADMN CC(C)CCc1cc(=O)n(-c2nc3ccccc3s2)[nH]1 ZINC000871941165 1124653015 /nfs/dbraw/zinc/65/30/15/1124653015.db2.gz KDFUAWVGQHDOPA-UHFFFAOYSA-N 0 1 287.388 3.825 20 0 CHADMN O=c1cc(C2CCCC2)[nH]n1-c1cccc2ncccc21 ZINC000871945796 1124654254 /nfs/dbraw/zinc/65/42/54/1124654254.db2.gz YAIPBUYADMJSRR-UHFFFAOYSA-N 0 1 279.343 3.518 20 0 CHADMN Fc1ccccc1[C@@H]1CCN(Cc2ncccc2Cl)C1 ZINC000528381680 1124654282 /nfs/dbraw/zinc/65/42/82/1124654282.db2.gz RHCCYASCDZPFAF-GFCCVEGCSA-N 0 1 290.769 3.864 20 0 CHADMN CC(C)[C@@H]1CCc2[nH]n(C[C@H]3CCCC3(F)F)c(=O)c2C1 ZINC000871964323 1124655849 /nfs/dbraw/zinc/65/58/49/1124655849.db2.gz WOFGIGWZMCFYLP-UPJWGTAASA-N 0 1 298.377 3.692 20 0 CHADMN C[C@H](N[C@@H](C)c1cc(O)ccc1F)c1ccccc1 ZINC000872017201 1124656512 /nfs/dbraw/zinc/65/65/12/1124656512.db2.gz WDKQPINUKHMMEN-RYUDHWBXSA-N 0 1 259.324 3.943 20 0 CHADMN COCc1ccccc1CN[C@H](C)c1cccc(O)c1F ZINC000872019173 1124658187 /nfs/dbraw/zinc/65/81/87/1124658187.db2.gz UHLKKCYAJNTYET-GFCCVEGCSA-N 0 1 289.350 3.529 20 0 CHADMN C/C(Cl)=C\CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000528523472 1124683313 /nfs/dbraw/zinc/68/33/13/1124683313.db2.gz AOAPKEXMQISQEU-LLGDCAAFSA-N 0 1 255.711 3.793 20 0 CHADMN Cc1ccsc1CN[C@@H](C)c1cccc(O)c1F ZINC000872026138 1124660512 /nfs/dbraw/zinc/66/05/12/1124660512.db2.gz BNECIQXZPFWKJA-JTQLQIEISA-N 0 1 265.353 3.752 20 0 CHADMN C/C(Cl)=C/CN(C)[C@H]1CCCc2nc(C)sc21 ZINC000528420485 1124661421 /nfs/dbraw/zinc/66/14/21/1124661421.db2.gz VKHFGKTWKTYUFJ-UPZNUWHASA-N 0 1 270.829 3.903 20 0 CHADMN C/C(Cl)=C\CN1C[C@@H](C)[N@@H+](C/C=C(\C)Cl)C[C@@H]1C ZINC000528421475 1124661695 /nfs/dbraw/zinc/66/16/95/1124661695.db2.gz PFHUJGRVZJGXEC-HZERFEBFSA-N 0 1 291.266 3.666 20 0 CHADMN C/C(Cl)=C\CN1C[C@H](C)N(C/C=C(\C)Cl)C[C@H]1C ZINC000528421475 1124661698 /nfs/dbraw/zinc/66/16/98/1124661698.db2.gz PFHUJGRVZJGXEC-HZERFEBFSA-N 0 1 291.266 3.666 20 0 CHADMN CC[C@H](NCc1cccc(C)c1F)c1ccncc1 ZINC000449164870 1124663025 /nfs/dbraw/zinc/66/30/25/1124663025.db2.gz RQFXGIROVUESAT-HNNXBMFYSA-N 0 1 258.340 3.770 20 0 CHADMN COc1cc(F)c([C@H](C)NC/C=C(/C)Cl)cc1OC ZINC000528440404 1124667121 /nfs/dbraw/zinc/66/71/21/1124667121.db2.gz ZTVPLQFATAKBBT-BSKOKIOFSA-N 0 1 287.762 3.636 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@H](C)c1cccc(O)c1F ZINC000872060910 1124670541 /nfs/dbraw/zinc/67/05/41/1124670541.db2.gz BFRULFNCEKWJQU-RKDXNWHRSA-N 0 1 279.277 3.913 20 0 CHADMN C/C(Cl)=C/CN1C[C@H](C)C[C@H]1c1cccnc1 ZINC000528453156 1124672078 /nfs/dbraw/zinc/67/20/78/1124672078.db2.gz ZCMIVRDHWBSKIJ-UOBKJKSSSA-N 0 1 250.773 3.607 20 0 CHADMN CC[C@H](NCc1csc(C)c1)c1c(C)noc1C ZINC000449216753 1124672767 /nfs/dbraw/zinc/67/27/67/1124672767.db2.gz VABSKMOSFCBPRD-ZDUSSCGKSA-N 0 1 264.394 3.902 20 0 CHADMN CCc1ccc([C@H](CO)NCc2cccc(C)c2F)cc1 ZINC000449216266 1124672992 /nfs/dbraw/zinc/67/29/92/1124672992.db2.gz QWMZJLUKIANAKF-KRWDZBQOSA-N 0 1 287.378 3.520 20 0 CHADMN CC[C@H](CCC(F)(F)F)N[C@@H]1CCCC1(F)F ZINC000872069980 1124673528 /nfs/dbraw/zinc/67/35/28/1124673528.db2.gz AYVNWFPGXPLDPA-RKDXNWHRSA-N 0 1 259.262 3.885 20 0 CHADMN Cc1cccc(CCN[C@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000449223418 1124673993 /nfs/dbraw/zinc/67/39/93/1124673993.db2.gz JQZSAJHGTDNBKF-INIZCTEOSA-N 0 1 299.418 3.785 20 0 CHADMN CO[C@H]1CCN(Cc2nc3cc(C)ccc3s2)[C@H](C)C1 ZINC000528489194 1124678907 /nfs/dbraw/zinc/67/89/07/1124678907.db2.gz DXLVUQHLXVJRLE-OLZOCXBDSA-N 0 1 290.432 3.604 20 0 CHADMN CC(C)(NCC1CC(C)(C)C1)c1cc(C(F)(F)F)on1 ZINC000528511307 1124680597 /nfs/dbraw/zinc/68/05/97/1124680597.db2.gz FDZFFPJBWAOTSU-UHFFFAOYSA-N 0 1 290.329 3.954 20 0 CHADMN COc1cc(F)cc(CN2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000449283926 1124683460 /nfs/dbraw/zinc/68/34/60/1124683460.db2.gz NISYNPZEECTFQL-JTQLQIEISA-N 0 1 291.288 3.609 20 0 CHADMN CC(C)(C)c1ccc(CN[C@H]2CCCn3ccnc32)s1 ZINC000872105448 1124684150 /nfs/dbraw/zinc/68/41/50/1124684150.db2.gz BUJVXYXTAGREQF-ZDUSSCGKSA-N 0 1 289.448 3.867 20 0 CHADMN Clc1cccnc1CN1CCC[C@@H](c2ccncc2)C1 ZINC000528509006 1124684721 /nfs/dbraw/zinc/68/47/21/1124684721.db2.gz YLZZWXWBLZMRFH-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN OC[C@@H](CC1CCC1)NCc1cc(Cl)sc1Cl ZINC000449296972 1124685643 /nfs/dbraw/zinc/68/56/43/1124685643.db2.gz DTRRJDVGKYFMMP-SNVBAGLBSA-N 0 1 294.247 3.696 20 0 CHADMN CC(C)c1ncc(CN(C)Cc2cccc3ccoc32)cn1 ZINC000449305882 1124687039 /nfs/dbraw/zinc/68/70/39/1124687039.db2.gz UYYVUHDHCYEXQN-UHFFFAOYSA-N 0 1 295.386 3.978 20 0 CHADMN C[C@@H]([C@H]1Cc2ccccc21)N(C)Cc1ncccc1Cl ZINC000528560350 1124689869 /nfs/dbraw/zinc/68/98/69/1124689869.db2.gz IPMHUMJMYPXNDT-SWLSCSKDSA-N 0 1 286.806 3.895 20 0 CHADMN CC[N@@H+](Cc1cc(F)cc(OC)c1)[C@H](C)c1cccnc1 ZINC000449332508 1124690817 /nfs/dbraw/zinc/69/08/17/1124690817.db2.gz RPNVQQDYFYMBMO-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN CCN(Cc1cc(F)cc(OC)c1)[C@H](C)c1cccnc1 ZINC000449332508 1124690820 /nfs/dbraw/zinc/69/08/20/1124690820.db2.gz RPNVQQDYFYMBMO-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN CC[C@H](N[C@H](C)c1nccnc1C)c1ccsc1 ZINC000872132994 1124692507 /nfs/dbraw/zinc/69/25/07/1124692507.db2.gz JBIPXMLUUUJXGX-YPMHNXCESA-N 0 1 261.394 3.648 20 0 CHADMN CC[C@H](C)[C@H](C)[N@@H+](Cc1cc(C(=O)[O-])cs1)C1CC1 ZINC000872157149 1124696146 /nfs/dbraw/zinc/69/61/46/1124696146.db2.gz LXVLTGVMRZDFLW-QWRGUYRKSA-N 0 1 281.421 3.845 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1c(C)ccc2cc(C)ccc21 ZINC000872159258 1124696683 /nfs/dbraw/zinc/69/66/83/1124696683.db2.gz BYIQRXCATBESLJ-UHFFFAOYSA-N 0 1 285.387 3.753 20 0 CHADMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)[O-])cs2)C1 ZINC000872158563 1124696758 /nfs/dbraw/zinc/69/67/58/1124696758.db2.gz FZNKIYCBTWBNEK-VXGBXAGGSA-N 0 1 299.461 3.552 20 0 CHADMN C/C=C/C[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC000872161057 1124696888 /nfs/dbraw/zinc/69/68/88/1124696888.db2.gz OYLOHBOWPLOZCD-JDGPPOGSSA-N 0 1 279.405 3.625 20 0 CHADMN C[C@H](C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21)CC(C)(C)C ZINC000872161420 1124696997 /nfs/dbraw/zinc/69/69/97/1124696997.db2.gz SWAKDEFLEKUFRR-LJISPDSOSA-N 0 1 281.440 3.634 20 0 CHADMN Oc1cc(F)cc(CN[C@H]2CCCc3c(F)cccc32)c1 ZINC000449350485 1124697038 /nfs/dbraw/zinc/69/70/38/1124697038.db2.gz MAVBSMDDOOGHJJ-KRWDZBQOSA-N 0 1 289.325 3.838 20 0 CHADMN CC[C@H](N[C@@H]1CCC[C@H](c2cccnc2)C1)C(F)F ZINC000449365688 1124701322 /nfs/dbraw/zinc/70/13/22/1124701322.db2.gz WTZQEKWBXJFJBV-YUTCNCBUSA-N 0 1 268.351 3.741 20 0 CHADMN CC[C@@H](CO)N(C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000449378742 1124715395 /nfs/dbraw/zinc/71/53/95/1124715395.db2.gz XNGKHVUANQZPMD-NSHDSACASA-N 0 1 295.732 3.562 20 0 CHADMN C[C@@H](CCc1cccc(C(F)(F)F)c1)NC(CF)CF ZINC000449378857 1124715967 /nfs/dbraw/zinc/71/59/67/1124715967.db2.gz GCCKORYRBDANMW-JTQLQIEISA-N 0 1 295.295 3.924 20 0 CHADMN CN(C)Cc1ccc(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1F ZINC001137059527 1124717006 /nfs/dbraw/zinc/71/70/06/1124717006.db2.gz FFBQELFSBWYURK-ZIAGYGMSSA-N 0 1 292.398 3.508 20 0 CHADMN COc1ccc(C2CCC(NC(CF)CF)CC2)cc1 ZINC000449380799 1124717346 /nfs/dbraw/zinc/71/73/46/1124717346.db2.gz OVOXXFUWMHFFQF-UHFFFAOYSA-N 0 1 283.362 3.619 20 0 CHADMN FCC(CF)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000449380899 1124717833 /nfs/dbraw/zinc/71/78/33/1124717833.db2.gz PGBPWUVSOSHRTQ-CABCVRRESA-N 0 1 253.336 3.610 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CC[C@@H](F)C1 ZINC000449389434 1124720024 /nfs/dbraw/zinc/72/00/24/1124720024.db2.gz CVRCWHAHTBTVGA-GFCCVEGCSA-N 0 1 261.262 3.558 20 0 CHADMN C[C@@H](Cc1ccccc1)CN1CC(C)(C)[C@H]1c1nccn1C ZINC000449416849 1124724069 /nfs/dbraw/zinc/72/40/69/1124724069.db2.gz VQRLDAUBJNJTPA-DOTOQJQBSA-N 0 1 297.446 3.682 20 0 CHADMN c1nncn1CN1CC2(CCCCCC2)[C@H]1c1ccccc1 ZINC000872741312 1124727942 /nfs/dbraw/zinc/72/79/42/1124727942.db2.gz CLJHTCOBBOXTJF-QGZVFWFLSA-N 0 1 296.418 3.633 20 0 CHADMN c1sc(CN2CC[C@H]2C2CC2)nc1-c1ccccc1 ZINC000449423270 1124730801 /nfs/dbraw/zinc/73/08/01/1124730801.db2.gz AHBGDOVIQZGPQF-HNNXBMFYSA-N 0 1 270.401 3.794 20 0 CHADMN COc1ccc(C[C@H](C)CN[C@@H](C)C(C)(F)F)cc1F ZINC000449411249 1124731645 /nfs/dbraw/zinc/73/16/45/1124731645.db2.gz ARYLOJHPDYQNLL-QWRGUYRKSA-N 0 1 289.341 3.646 20 0 CHADMN CCCCOc1ncc(-c2c[nH]cc3nc(C)nc2-3)cc1C ZINC001238966130 1131280431 /nfs/dbraw/zinc/28/04/31/1131280431.db2.gz ULVLRCDYDAWVIL-UHFFFAOYSA-N 0 1 296.374 3.816 20 0 CHADMN CCCCOc1ncc(-c2cncc3[nH]c(C)nc32)cc1C ZINC001238966130 1131280436 /nfs/dbraw/zinc/28/04/36/1131280436.db2.gz ULVLRCDYDAWVIL-UHFFFAOYSA-N 0 1 296.374 3.816 20 0 CHADMN C=Cn1cc(CNCc2ccc(C(C)(C)C)s2)cn1 ZINC000873153649 1124742630 /nfs/dbraw/zinc/74/26/30/1124742630.db2.gz CEGCXAJSZHJWJV-UHFFFAOYSA-N 0 1 275.421 3.632 20 0 CHADMN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C/C=C/c1ccncc1 ZINC000449458443 1124747150 /nfs/dbraw/zinc/74/71/50/1124747150.db2.gz IDRXWNOKJQCPPW-VJTBZZIASA-N 0 1 284.325 3.758 20 0 CHADMN Oc1ccc(CNCc2cnc(C3CC3)s2)cc1Cl ZINC000873179448 1124747103 /nfs/dbraw/zinc/74/71/03/1124747103.db2.gz QFINKPWCNLQVSL-UHFFFAOYSA-N 0 1 294.807 3.669 20 0 CHADMN C/C(=C/c1ccccc1)CN[C@H](C)c1nccnc1C ZINC000873188830 1124749701 /nfs/dbraw/zinc/74/97/01/1124749701.db2.gz MKPQIQZFYISZRJ-BMOGTNHUSA-N 0 1 267.376 3.539 20 0 CHADMN Cn1c2cc(Cl)ccc2nc1CNC1(C)CC(F)(F)C1 ZINC000873197717 1124751929 /nfs/dbraw/zinc/75/19/29/1124751929.db2.gz PWSJZYJFKILUDU-UHFFFAOYSA-N 0 1 299.752 3.504 20 0 CHADMN CO[C@H]1CCN(Cc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000449494820 1124760488 /nfs/dbraw/zinc/76/04/88/1124760488.db2.gz HBCXAHAGLHYNHV-GWCFXTLKSA-N 0 1 288.218 3.850 20 0 CHADMN COc1cccc(Cl)c1C[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000449497949 1124769604 /nfs/dbraw/zinc/76/96/04/1124769604.db2.gz JGRRLRQGRIMHEH-HNNXBMFYSA-N 0 1 297.826 3.596 20 0 CHADMN COc1cccc(Cl)c1CN1CC[C@H](OC)C(C)(C)C1 ZINC000449497949 1124769607 /nfs/dbraw/zinc/76/96/07/1124769607.db2.gz JGRRLRQGRIMHEH-HNNXBMFYSA-N 0 1 297.826 3.596 20 0 CHADMN CCO[C@@H]1CC[N@@H+](Cc2ccc(C)c(Cl)c2)C[C@@H]1C ZINC000449497456 1124769940 /nfs/dbraw/zinc/76/99/40/1124769940.db2.gz KJUYMVJQWCDKTQ-XJKSGUPXSA-N 0 1 281.827 3.895 20 0 CHADMN CCO[C@H]1CCN(Cc2cc3c(cccc3F)[nH]2)C[C@@H]1C ZINC000449498826 1124774055 /nfs/dbraw/zinc/77/40/55/1124774055.db2.gz LTFBQHRNQNQNQE-SJCJKPOMSA-N 0 1 290.382 3.554 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](Nc1nccnc1CN)CCC2 ZINC001120827536 1131284702 /nfs/dbraw/zinc/28/47/02/1131284702.db2.gz ILTQETCUJZRDID-INIZCTEOSA-N 0 1 296.418 3.548 20 0 CHADMN O=C(c1cccc(F)c1O)N1CCC[C@@H](c2ccccc2)C1 ZINC000820421569 1131288233 /nfs/dbraw/zinc/28/82/33/1131288233.db2.gz SBSJXXZRVCYZIR-CQSZACIVSA-N 0 1 299.345 3.551 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1coc2ccccc12 ZINC001239061871 1131297337 /nfs/dbraw/zinc/29/73/37/1131297337.db2.gz PNZRFUOZRMSNOY-UHFFFAOYSA-N 0 1 264.284 3.985 20 0 CHADMN CC(C)(O)/C=C/c1nccc2c1ccn2Cc1ccccc1 ZINC001239142925 1131302991 /nfs/dbraw/zinc/30/29/91/1131302991.db2.gz PLMNZCAZTCCLAR-DHZHZOJOSA-N 0 1 292.382 3.869 20 0 CHADMN Cc1nc(CN2CC[C@H](c3cccc(F)c3)C2(C)C)co1 ZINC000528776704 1124800323 /nfs/dbraw/zinc/80/03/23/1124800323.db2.gz VYMBOLOVKFAWIN-MRXNPFEDSA-N 0 1 288.366 3.890 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@]3(CCSC3)C2)s1 ZINC000449734190 1124853229 /nfs/dbraw/zinc/85/32/29/1124853229.db2.gz RIASHYTZMGTENX-HNNXBMFYSA-N 0 1 296.505 3.986 20 0 CHADMN CC(C)CC(CC(C)C)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000450150336 1124933962 /nfs/dbraw/zinc/93/39/62/1124933962.db2.gz CVMCIEYAIFCOBF-HNNXBMFYSA-N 0 1 291.439 3.612 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2ccc(F)cc2F)CC1 ZINC000120528241 1124948567 /nfs/dbraw/zinc/94/85/67/1124948567.db2.gz HHWMNLDTOCYRQW-OAHLLOKOSA-N 0 1 283.362 3.746 20 0 CHADMN CC(=O)c1ccc(CN(C)CCCOc2ccccc2)cc1 ZINC000450233762 1124954433 /nfs/dbraw/zinc/95/44/33/1124954433.db2.gz OSQSADUHHDCHNS-UHFFFAOYSA-N 0 1 297.398 3.790 20 0 CHADMN F[C@@H]1CCCC[C@@H]1N[C@@H]1CCc2ccc(Cl)nc21 ZINC000876500917 1124956195 /nfs/dbraw/zinc/95/61/95/1124956195.db2.gz WRMSRAKREMPOAO-GRYCIOLGSA-N 0 1 268.763 3.593 20 0 CHADMN CN(Cc1cc2c(cc[nH]c2=O)o1)[C@@H]1CCc2ccccc21 ZINC000876560120 1124960509 /nfs/dbraw/zinc/96/05/09/1124960509.db2.gz GFVCKEFJUKIAEQ-MRXNPFEDSA-N 0 1 294.354 3.653 20 0 CHADMN CN(Cc1cnns1)C1CCC(C(C)(C)C)CC1 ZINC000450283683 1124970747 /nfs/dbraw/zinc/97/07/47/1124970747.db2.gz DSSIAZHIUVDJRW-UHFFFAOYSA-N 0 1 267.442 3.575 20 0 CHADMN Cc1cccc2nc(CNC(=O)[C@@H]3CC[C@@H](C)[C@@H](C)C3)[nH]c21 ZINC000450313049 1124977551 /nfs/dbraw/zinc/97/75/51/1124977551.db2.gz ONXPPCOAGRLSNJ-KWCYVHTRSA-N 0 1 299.418 3.560 20 0 CHADMN CCOC[C@@H]1CCN(Cc2ccsc2C(F)(F)F)C1 ZINC000529529357 1124981025 /nfs/dbraw/zinc/98/10/25/1124981025.db2.gz KOVJRYFOZQXEDQ-SNVBAGLBSA-N 0 1 293.354 3.625 20 0 CHADMN CCCCOc1cccc(CNCc2ccc(F)cn2)c1 ZINC000529530208 1124981476 /nfs/dbraw/zinc/98/14/76/1124981476.db2.gz HWJKBUXVHSWDDB-UHFFFAOYSA-N 0 1 288.366 3.689 20 0 CHADMN FC(F)(F)C1=CCN(Cc2ccc3cc[nH]c3c2)CC1 ZINC000529531884 1124982823 /nfs/dbraw/zinc/98/28/23/1124982823.db2.gz WLADOFWQDXTJIV-UHFFFAOYSA-N 0 1 280.293 3.862 20 0 CHADMN CCCN(CCC)Cc1ncc(Br)cc1F ZINC000529519793 1124984774 /nfs/dbraw/zinc/98/47/74/1124984774.db2.gz YCJHBSDNHHJLQL-UHFFFAOYSA-N 0 1 289.192 3.605 20 0 CHADMN c1cc2ccc(CN3CCc4sccc4C3)cc2[nH]1 ZINC000529518791 1124985246 /nfs/dbraw/zinc/98/52/46/1124985246.db2.gz AIEVYYKYOFWPFP-UHFFFAOYSA-N 0 1 268.385 3.788 20 0 CHADMN CC(C)(NCc1ccc(Cl)nn1)c1ccc(Cl)cc1 ZINC000877005722 1124996210 /nfs/dbraw/zinc/99/62/10/1124996210.db2.gz VBOFHZUULBLURN-UHFFFAOYSA-N 0 1 296.201 3.808 20 0 CHADMN C[C@@H](Nc1cc2c(cn1)CCCC2)C1CC(F)(F)C1 ZINC000529573651 1124998641 /nfs/dbraw/zinc/99/86/41/1124998641.db2.gz MWBCKWJRGHNHQG-SNVBAGLBSA-N 0 1 266.335 3.806 20 0 CHADMN Cc1ccccc1[C@@H](NCc1ccc(Cl)nn1)C1CC1 ZINC000877029236 1124999342 /nfs/dbraw/zinc/99/93/42/1124999342.db2.gz WOZADFMOMWZBKO-INIZCTEOSA-N 0 1 287.794 3.679 20 0 CHADMN C[C@H]1C[C@@H](NCc2cc(C3CC3)no2)c2ccccc21 ZINC000877025664 1124999591 /nfs/dbraw/zinc/99/95/91/1124999591.db2.gz RFDBICDZNUIVMM-APPDUMDISA-N 0 1 268.360 3.890 20 0 CHADMN Clc1csc(CN[C@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000877044562 1125001036 /nfs/dbraw/zinc/00/10/36/1125001036.db2.gz CSMPKGKBRYYRMB-RYUDHWBXSA-N 0 1 278.808 3.517 20 0 CHADMN CO[C@@H](CN[C@H](c1cccc(C)c1)c1ccccn1)C(C)C ZINC000877124634 1125011761 /nfs/dbraw/zinc/01/17/61/1125011761.db2.gz YNLWGJZKRLEPBJ-RBUKOAKNSA-N 0 1 298.430 3.740 20 0 CHADMN CC1(NCc2nc(Cl)ccc2Br)CCC1 ZINC000877165046 1125013583 /nfs/dbraw/zinc/01/35/83/1125013583.db2.gz XIZGJAGODQWFSC-UHFFFAOYSA-N 0 1 289.604 3.530 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1nnc(C2CC2)s1 ZINC000450414977 1125019092 /nfs/dbraw/zinc/01/90/92/1125019092.db2.gz ZUSZLZWJIVIHPO-SWLSCSKDSA-N 0 1 299.443 3.794 20 0 CHADMN CS[C@H](CNCc1nc(Cl)cs1)C(C)(C)C ZINC000877305736 1125022859 /nfs/dbraw/zinc/02/28/59/1125022859.db2.gz ZPXIVZBCNSTVLI-MRVPVSSYSA-N 0 1 278.874 3.664 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nnc(C2CC2)s1 ZINC000450437945 1125026744 /nfs/dbraw/zinc/02/67/44/1125026744.db2.gz LQNWKAZNXLSNBK-KGYLQXTDSA-N 0 1 277.437 3.569 20 0 CHADMN C[C@H]1CSCCN(Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877475229 1125031289 /nfs/dbraw/zinc/03/12/89/1125031289.db2.gz NXLLFMKZRVZJPL-SNVBAGLBSA-N 0 1 296.823 3.666 20 0 CHADMN c1coc(CC2CN(Cc3cc4ccccc4o3)C2)c1 ZINC000529651782 1125032259 /nfs/dbraw/zinc/03/22/59/1125032259.db2.gz JTRHZPRFSQXNAF-UHFFFAOYSA-N 0 1 267.328 3.700 20 0 CHADMN C[C@H](CCOCc1ccccc1)NC(C)(C)C(F)F ZINC000877490180 1125034465 /nfs/dbraw/zinc/03/44/65/1125034465.db2.gz VWGRPVDFFJXPMD-GFCCVEGCSA-N 0 1 271.351 3.615 20 0 CHADMN Cc1[nH]ncc1CNc1cccc(COCc2ccco2)c1 ZINC000121091049 1125035556 /nfs/dbraw/zinc/03/55/56/1125035556.db2.gz ZRYPNGHNWZHNMQ-UHFFFAOYSA-N 0 1 297.358 3.640 20 0 CHADMN CN(Cc1cc2c(cc[nH]c2=O)o1)C(C)(C)c1ccccc1 ZINC000877507299 1125036745 /nfs/dbraw/zinc/03/67/45/1125036745.db2.gz MUDQXNAYZAZLFB-UHFFFAOYSA-N 0 1 296.370 3.901 20 0 CHADMN Cc1cnc(C(C)(C)NCC2=CCCCC2)s1 ZINC000450725145 1125089613 /nfs/dbraw/zinc/08/96/13/1125089613.db2.gz BZJXMKFFZNREAS-UHFFFAOYSA-N 0 1 250.411 3.777 20 0 CHADMN C[C@@H]1CN(Cc2cnc3c(F)cccc3c2)CCC1(F)F ZINC000877538579 1125040400 /nfs/dbraw/zinc/04/04/00/1125040400.db2.gz FDIKMOMUBIRVGA-LLVKDONJSA-N 0 1 294.320 3.851 20 0 CHADMN C[C@@H](NCc1ccc(Cl)nn1)c1cccc(C2CC2)c1 ZINC000877557945 1125045104 /nfs/dbraw/zinc/04/51/04/1125045104.db2.gz SFMNVQAFGZINRR-LLVKDONJSA-N 0 1 287.794 3.858 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1Cc1nnc(C2CC2)s1 ZINC000450495890 1125045564 /nfs/dbraw/zinc/04/55/64/1125045564.db2.gz BVQBTESELHCTFB-AAEUAGOBSA-N 0 1 279.453 3.816 20 0 CHADMN c1nnsc1CN1CCC[C@@H]1CCC1CCCCC1 ZINC000450503622 1125046080 /nfs/dbraw/zinc/04/60/80/1125046080.db2.gz VXCWHJFWTONKQG-CQSZACIVSA-N 0 1 279.453 3.863 20 0 CHADMN C[C@]1(CNCc2nc3ccccc3o2)CC1(Cl)Cl ZINC000877564514 1125046951 /nfs/dbraw/zinc/04/69/51/1125046951.db2.gz CTCNAAYTSKYUON-GFCCVEGCSA-N 0 1 285.174 3.501 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C[C@H]1CCC(=O)O1)C1CC1 ZINC000821368060 1131327918 /nfs/dbraw/zinc/32/79/18/1131327918.db2.gz JRRIOLFULIATLB-DGCLKSJQSA-N 0 1 293.794 3.571 20 0 CHADMN CC(=O)c1ccc(CN2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000450548974 1125053617 /nfs/dbraw/zinc/05/36/17/1125053617.db2.gz JQIXYRQFETWCOF-IBGZPJMESA-N 0 1 294.398 3.576 20 0 CHADMN CC(C)(C)Oc1cccc(CN2CCCc3n[nH]cc3C2)c1 ZINC000877643826 1125057908 /nfs/dbraw/zinc/05/79/08/1125057908.db2.gz NQUNSNAZLOBTNU-UHFFFAOYSA-N 0 1 299.418 3.535 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@]3(C)CC=CCC3)ccc12 ZINC000450567500 1125059371 /nfs/dbraw/zinc/05/93/71/1125059371.db2.gz YMYIZEVYPZPRLF-INIZCTEOSA-N 0 1 269.348 3.556 20 0 CHADMN CC[C@@](C)(NCC1=CCCCC1)c1nccs1 ZINC000450567755 1125059777 /nfs/dbraw/zinc/05/97/77/1125059777.db2.gz NOXRIMFLAIXQKW-CQSZACIVSA-N 0 1 250.411 3.858 20 0 CHADMN CSC1CCN(Cc2cnc(C(C)C)s2)CC1 ZINC000877663596 1125061949 /nfs/dbraw/zinc/06/19/49/1125061949.db2.gz VSHAWDAAAFHVMR-UHFFFAOYSA-N 0 1 270.467 3.594 20 0 CHADMN COC[C@@]1(C)CCN(c2cc(C)nc3ccc(F)cc32)C1 ZINC000450607328 1125070856 /nfs/dbraw/zinc/07/08/56/1125070856.db2.gz XDVSAUYWQBIMFR-KRWDZBQOSA-N 0 1 288.366 3.545 20 0 CHADMN CC(C)c1cc(Cl)ccc1NC(=O)CN1CC[C@H](C)C1 ZINC000529850848 1125082602 /nfs/dbraw/zinc/08/26/02/1125082602.db2.gz BWIJBKMHZYAPAX-LBPRGKRZSA-N 0 1 294.826 3.744 20 0 CHADMN c1ccc(NC2CC(NCc3nc4ccccc4o3)C2)cc1 ZINC000877829488 1125087416 /nfs/dbraw/zinc/08/74/16/1125087416.db2.gz VEHWUAJDUGNAQO-UHFFFAOYSA-N 0 1 293.370 3.561 20 0 CHADMN c1ccc2oc(CNc3ccc4c(n3)CCCC4)nc2c1 ZINC000877828699 1125088409 /nfs/dbraw/zinc/08/84/09/1125088409.db2.gz OWJQQRZAMIYALO-UHFFFAOYSA-N 0 1 279.343 3.714 20 0 CHADMN CC[C@@H](NCC1=CCCCC1)c1nc(C)cs1 ZINC000450728684 1125094797 /nfs/dbraw/zinc/09/47/97/1125094797.db2.gz PNHLDZGCBGKQGR-CYBMUJFWSA-N 0 1 250.411 3.993 20 0 CHADMN CCCC[C@@H]1CCC[C@H]1N[C@H](C)c1csnn1 ZINC000450731211 1125095522 /nfs/dbraw/zinc/09/55/22/1125095522.db2.gz XLNBWWMWWOFYFD-IJLUTSLNSA-N 0 1 253.415 3.548 20 0 CHADMN CC1CCC(N(C)Cc2nc3c(o2)CCCC3)CC1 ZINC000877918772 1125101634 /nfs/dbraw/zinc/10/16/34/1125101634.db2.gz FTHRIGDFJVSALT-UHFFFAOYSA-N 0 1 262.397 3.564 20 0 CHADMN CO[C@H]1CCN(c2ccnc3cc(F)ccc32)CC1(C)C ZINC000450754067 1125102656 /nfs/dbraw/zinc/10/26/56/1125102656.db2.gz HKVXZVGYLNNNKE-INIZCTEOSA-N 0 1 288.366 3.625 20 0 CHADMN CC(C)C[C@H](C)Sc1nc(-c2ccccc2O)n[nH]1 ZINC000450755023 1125102679 /nfs/dbraw/zinc/10/26/79/1125102679.db2.gz KADNYXSRWFLVPW-JTQLQIEISA-N 0 1 277.393 3.704 20 0 CHADMN CCC[C@@H](CC)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC001136455853 1131332353 /nfs/dbraw/zinc/33/23/53/1131332353.db2.gz PCMYWAFFPVYRLP-HUUCEWRRSA-N 0 1 294.439 3.605 20 0 CHADMN CCc1nc(CN(C)C[C@H]2CC(C)(C)OC2(C)C)cs1 ZINC000877995069 1125111285 /nfs/dbraw/zinc/11/12/85/1125111285.db2.gz CCYMFFIIOAUWCV-GFCCVEGCSA-N 0 1 296.480 3.731 20 0 CHADMN FC1(F)CCC[C@@H]1CCN1Cc2ccccc2C1 ZINC000878078645 1125116860 /nfs/dbraw/zinc/11/68/60/1125116860.db2.gz FXUYSEQNOPEISU-CQSZACIVSA-N 0 1 251.320 3.828 20 0 CHADMN FC(F)(F)c1coc(CN2CC[C@H](c3ccco3)C2)c1 ZINC000878094096 1125117931 /nfs/dbraw/zinc/11/79/31/1125117931.db2.gz PTBGEVZQJCSWGK-JTQLQIEISA-N 0 1 285.265 3.881 20 0 CHADMN C[C@@H](NCCc1ccc(Cl)cc1)c1c(F)cncc1F ZINC000450993267 1125127105 /nfs/dbraw/zinc/12/71/05/1125127105.db2.gz UMNPAWNJQRRHNI-SNVBAGLBSA-N 0 1 296.748 3.907 20 0 CHADMN Fc1cccc([C@@H]2CCN2CCc2ccccc2F)c1 ZINC000681111261 1125127434 /nfs/dbraw/zinc/12/74/34/1125127434.db2.gz MVQGFBWVSKPMDL-KRWDZBQOSA-N 0 1 273.326 3.954 20 0 CHADMN Cc1ccc2c(ccc(C)c2CN(C)Cc2cnccn2)c1 ZINC000878170939 1125127811 /nfs/dbraw/zinc/12/78/11/1125127811.db2.gz ULWTUQKTCDBKHP-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cc3ccncc3s2)C1 ZINC000826029859 1125129132 /nfs/dbraw/zinc/12/91/32/1125129132.db2.gz KXVBAEJYWIGJHT-CQSZACIVSA-N 0 1 264.369 3.620 20 0 CHADMN Cc1ncc2c(n1)CC[N@H+](C/C=C/c1ccc(Cl)cc1)C2 ZINC000530338124 1125144508 /nfs/dbraw/zinc/14/45/08/1125144508.db2.gz WAUPSIOGOANQET-NSCUHMNNSA-N 0 1 299.805 3.510 20 0 CHADMN Cc1ncc2c(n1)CCN(C/C=C/c1ccc(Cl)cc1)C2 ZINC000530338124 1125144511 /nfs/dbraw/zinc/14/45/11/1125144511.db2.gz WAUPSIOGOANQET-NSCUHMNNSA-N 0 1 299.805 3.510 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cnccc2C)nc1Cl ZINC000878403527 1125148745 /nfs/dbraw/zinc/14/87/45/1125148745.db2.gz QPEUNUXFYZDCEE-LBPRGKRZSA-N 0 1 275.783 3.598 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2nc3c(o2)CCCC3)[C@H]2CCCC[C@@H]12 ZINC000878399809 1125149034 /nfs/dbraw/zinc/14/90/34/1125149034.db2.gz QPDFUKDEIZWXCB-IPYPFGDCSA-N 0 1 274.408 3.564 20 0 CHADMN CC[C@H](NC[C@H]1CCC(C)(C)CO1)c1nc(C)cs1 ZINC000878409029 1125150056 /nfs/dbraw/zinc/15/00/56/1125150056.db2.gz XUSYXEXCIDCBRO-OLZOCXBDSA-N 0 1 282.453 3.697 20 0 CHADMN Cc1nc([C@H]2CCCN2C[C@H]2CCCC(C)(C)O2)cs1 ZINC000878450835 1125155436 /nfs/dbraw/zinc/15/54/36/1125155436.db2.gz ASCGUFVRTDAVCL-UKRRQHHQSA-N 0 1 294.464 3.936 20 0 CHADMN Cc1ccc(CN[C@H]2CCCc3sccc32)nc1 ZINC000121824595 1125157092 /nfs/dbraw/zinc/15/70/92/1125157092.db2.gz YHAADMQGUWDIAX-AWEZNQCLSA-N 0 1 258.390 3.619 20 0 CHADMN FC(F)(F)c1coc(CN2CC[C@@H](c3ccccn3)C2)c1 ZINC000878553217 1125160687 /nfs/dbraw/zinc/16/06/87/1125160687.db2.gz ODKPSBDTCVMWID-LLVKDONJSA-N 0 1 296.292 3.683 20 0 CHADMN FC1(F)CCC[C@H]1CCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000878601134 1125164036 /nfs/dbraw/zinc/16/40/36/1125164036.db2.gz HHOYSXWBPGOZES-GXTWGEPZSA-N 0 1 283.366 3.762 20 0 CHADMN Cc1conc1CN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000878617038 1125166007 /nfs/dbraw/zinc/16/60/07/1125166007.db2.gz HVENSDNVMXYHNV-INIZCTEOSA-N 0 1 296.374 3.505 20 0 CHADMN Cc1conc1CN1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000878611946 1125166433 /nfs/dbraw/zinc/16/64/33/1125166433.db2.gz DREPSUNKFOAJKF-BLLLJJGKSA-N 0 1 256.349 3.566 20 0 CHADMN CCCC[C@H](C)N(C)Cc1nc2c(o1)CCCC2 ZINC000878632182 1125167181 /nfs/dbraw/zinc/16/71/81/1125167181.db2.gz CMLCRKZSKOEVTJ-LBPRGKRZSA-N 0 1 250.386 3.564 20 0 CHADMN CC[C@@H]1CCN1C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878645161 1125168910 /nfs/dbraw/zinc/16/89/10/1125168910.db2.gz HOKAKTKOHBSJRW-ZWNOBZJWSA-N 0 1 274.191 3.511 20 0 CHADMN C(c1nc2c(o1)CCCC2)N1CC[C@@H](C2CCCC2)C1 ZINC000878720587 1125174649 /nfs/dbraw/zinc/17/46/49/1125174649.db2.gz NOMUFNANFVUWTM-CQSZACIVSA-N 0 1 274.408 3.566 20 0 CHADMN FC(F)(F)c1coc(CN2CC[C@@H](c3cccnc3)C2)c1 ZINC000878760744 1125178512 /nfs/dbraw/zinc/17/85/12/1125178512.db2.gz QLIUDBLTLHOSDW-GFCCVEGCSA-N 0 1 296.292 3.683 20 0 CHADMN CC(C)OCCC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451830752 1125181609 /nfs/dbraw/zinc/18/16/09/1125181609.db2.gz DOZVVTCQYDKNSV-OAHLLOKOSA-N 0 1 263.381 3.622 20 0 CHADMN CC(C)OCCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451830752 1125181611 /nfs/dbraw/zinc/18/16/11/1125181611.db2.gz DOZVVTCQYDKNSV-OAHLLOKOSA-N 0 1 263.381 3.622 20 0 CHADMN Cc1ccc(CNCc2cccc3cccnc32)c(F)c1 ZINC001648973903 1125181730 /nfs/dbraw/zinc/18/17/30/1125181730.db2.gz QXKBOAKWVAGULL-UHFFFAOYSA-N 0 1 280.346 3.972 20 0 CHADMN CC1(C)C[N@@H+](C[C@@H]2CCC3(CCC3)O2)[C@@H]1c1cccnc1 ZINC000879009649 1125191625 /nfs/dbraw/zinc/19/16/25/1125191625.db2.gz CGAUURLTVOPDTL-JKSUJKDBSA-N 0 1 286.419 3.566 20 0 CHADMN CC1(C)CN(C[C@@H]2CCC3(CCC3)O2)[C@@H]1c1cccnc1 ZINC000879009649 1125191627 /nfs/dbraw/zinc/19/16/27/1125191627.db2.gz CGAUURLTVOPDTL-JKSUJKDBSA-N 0 1 286.419 3.566 20 0 CHADMN Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)S3)nc1Cl ZINC000879035840 1125192658 /nfs/dbraw/zinc/19/26/58/1125192658.db2.gz OYBCXATYIKNDPL-OLZOCXBDSA-N 0 1 282.840 3.513 20 0 CHADMN COc1ccc(CNC2(c3ccc(F)cc3)CC2)cc1F ZINC000531206149 1125200364 /nfs/dbraw/zinc/20/03/64/1125200364.db2.gz PQUSUSBVRRJGDN-UHFFFAOYSA-N 0 1 289.325 3.752 20 0 CHADMN COC[C@@H](NCc1sccc1C)c1ccc(F)cc1 ZINC000531206084 1125200676 /nfs/dbraw/zinc/20/06/76/1125200676.db2.gz JDPWKPCNPJPBGX-CQSZACIVSA-N 0 1 279.380 3.673 20 0 CHADMN CC(C)CC[C@@H]1CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000122709794 1125201799 /nfs/dbraw/zinc/20/17/99/1125201799.db2.gz MVLFAXIHIQVPOR-AWEZNQCLSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1ncc(CN2CCC[C@@H](c3ccc(F)c(F)c3)C2)o1 ZINC000628393425 1125202058 /nfs/dbraw/zinc/20/20/58/1125202058.db2.gz HJHCIMXKASBOLM-CYBMUJFWSA-N 0 1 292.329 3.641 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2CC[C@H](C)[C@H](C)C2)c(C)c1 ZINC000122741951 1125203411 /nfs/dbraw/zinc/20/34/11/1125203411.db2.gz NSAFJCCOXZYDAB-XJKSGUPXSA-N 0 1 288.435 3.528 20 0 CHADMN Cc1cccc2c(CN3CCC[C@@H]3c3cccnc3)[nH]nc21 ZINC001137142132 1125204111 /nfs/dbraw/zinc/20/41/11/1125204111.db2.gz TZLZIBIXIISNSM-QGZVFWFLSA-N 0 1 292.386 3.603 20 0 CHADMN COc1c(C)cnc(CN2CCc3ccccc3[C@@H]2C)c1C ZINC000531378619 1125213636 /nfs/dbraw/zinc/21/36/36/1125213636.db2.gz HGTPSMGOCUQGRE-HNNXBMFYSA-N 0 1 296.414 3.826 20 0 CHADMN COc1c(C)cnc(CN2CCc3ccccc3[C@H]2C)c1C ZINC000531378625 1125213952 /nfs/dbraw/zinc/21/39/52/1125213952.db2.gz HGTPSMGOCUQGRE-OAHLLOKOSA-N 0 1 296.414 3.826 20 0 CHADMN Cn1ccc(CNCc2cnc(C3CCCCC3)s2)c1 ZINC000531451797 1125218405 /nfs/dbraw/zinc/21/84/05/1125218405.db2.gz FQFNQJXIMPCKAM-UHFFFAOYSA-N 0 1 289.448 3.819 20 0 CHADMN Fc1ccc(CN2CCC[C@H]2c2ccccn2)cc1 ZINC000531440282 1125219908 /nfs/dbraw/zinc/21/99/08/1125219908.db2.gz CNGGBFVITFYXSP-INIZCTEOSA-N 0 1 256.324 3.558 20 0 CHADMN CCC1(CO)CCN([C@@H](C)c2cc(F)ccc2F)CC1 ZINC000305736973 1125220895 /nfs/dbraw/zinc/22/08/95/1125220895.db2.gz MGZXLPPHSMNCAO-LBPRGKRZSA-N 0 1 283.362 3.510 20 0 CHADMN Cc1noc(C2CN(Cc3cccc(C4CCCC4)c3)C2)n1 ZINC000826113720 1125220974 /nfs/dbraw/zinc/22/09/74/1125220974.db2.gz PBYYOYQNRDIGRQ-UHFFFAOYSA-N 0 1 297.402 3.635 20 0 CHADMN Cc1ccc(-c2noc(CN(C)[C@H](C)C3(C)CC3)n2)cc1 ZINC000531470245 1125222673 /nfs/dbraw/zinc/22/26/73/1125222673.db2.gz OBGPSDKJBPFWBH-CYBMUJFWSA-N 0 1 285.391 3.665 20 0 CHADMN Cc1ccc(C[N@@H+](C)Cc2ccc3cc[nH]c3c2)c(C)n1 ZINC000879725215 1125228420 /nfs/dbraw/zinc/22/84/20/1125228420.db2.gz WRCCMIPNDJPJHE-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3cc[nH]c3c2)c(C)n1 ZINC000879725215 1125228422 /nfs/dbraw/zinc/22/84/22/1125228422.db2.gz WRCCMIPNDJPJHE-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN COc1cccc(CN(C)Cc2[nH]nc3c2cccc3C)c1 ZINC001137146641 1125233805 /nfs/dbraw/zinc/23/38/05/1125233805.db2.gz RTHKBGHAUUWNNV-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN Cc1ccccc1[C@H](CO)N[C@H]1CCSc2ccccc21 ZINC000532248493 1125243584 /nfs/dbraw/zinc/24/35/84/1125243584.db2.gz QAZFPMDEZOJODB-IRXDYDNUSA-N 0 1 299.439 3.855 20 0 CHADMN Cc1ccc2nc(NC(=O)CC(C)(C)CC(F)F)[nH]c2c1 ZINC000880092863 1125249654 /nfs/dbraw/zinc/24/96/54/1125249654.db2.gz NAKGIGBDSMRTHW-UHFFFAOYSA-N 0 1 295.333 3.881 20 0 CHADMN C[C@H](Sc1c[nH]nn1)c1cccc2ccccc21 ZINC000532323893 1125249706 /nfs/dbraw/zinc/24/97/06/1125249706.db2.gz BSLYXPPGNJGKNC-JTQLQIEISA-N 0 1 255.346 3.811 20 0 CHADMN COC(C)(C)CN(C)Cc1coc(-c2ccc(C)cc2)n1 ZINC000532339732 1125249859 /nfs/dbraw/zinc/24/98/59/1125249859.db2.gz ZTIHXCZGFNJZGJ-UHFFFAOYSA-N 0 1 288.391 3.507 20 0 CHADMN Cc1cnc(C[N@H+](C)C2(Cc3ccccc3)CCCC2)o1 ZINC000880120643 1125252045 /nfs/dbraw/zinc/25/20/45/1125252045.db2.gz HHMQQZZWKSEPPH-UHFFFAOYSA-N 0 1 284.403 3.970 20 0 CHADMN C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H](CF)C1 ZINC000880237200 1125257848 /nfs/dbraw/zinc/25/78/48/1125257848.db2.gz SUGNHQIVPRTCLC-NEPJUHHUSA-N 0 1 262.328 3.570 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N1CCC[C@@H](CF)C1 ZINC000880237200 1125257850 /nfs/dbraw/zinc/25/78/50/1125257850.db2.gz SUGNHQIVPRTCLC-NEPJUHHUSA-N 0 1 262.328 3.570 20 0 CHADMN FC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000880234061 1125258777 /nfs/dbraw/zinc/25/87/77/1125258777.db2.gz HGXSQZJRFSSSJQ-ZDUSSCGKSA-N 0 1 274.339 3.523 20 0 CHADMN FC[C@@H]1CCCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000880234061 1125258782 /nfs/dbraw/zinc/25/87/82/1125258782.db2.gz HGXSQZJRFSSSJQ-ZDUSSCGKSA-N 0 1 274.339 3.523 20 0 CHADMN Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H](CF)C1 ZINC000880232194 1125258790 /nfs/dbraw/zinc/25/87/90/1125258790.db2.gz IRMMWFGYRZXQKX-GFCCVEGCSA-N 0 1 294.395 3.893 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN1CCC[C@H](CF)C1 ZINC000880232194 1125258793 /nfs/dbraw/zinc/25/87/93/1125258793.db2.gz IRMMWFGYRZXQKX-GFCCVEGCSA-N 0 1 294.395 3.893 20 0 CHADMN C[C@H](c1ccncc1)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000880247268 1125259987 /nfs/dbraw/zinc/25/99/87/1125259987.db2.gz ASYHRGTVOUJPGX-DLBZAZTESA-N 0 1 295.430 3.521 20 0 CHADMN Fc1cccc(Cl)c1CN1CC[C@H](c2nccs2)C1 ZINC000880312960 1125264969 /nfs/dbraw/zinc/26/49/69/1125264969.db2.gz AYYCHFHTHDMCKQ-JTQLQIEISA-N 0 1 296.798 3.925 20 0 CHADMN CC[C@H](NCc1ccoc1C)c1ccccc1OC ZINC000321010056 1125265427 /nfs/dbraw/zinc/26/54/27/1125265427.db2.gz UGXOXPIADHWNDZ-HNNXBMFYSA-N 0 1 259.349 3.838 20 0 CHADMN Fc1ccc(Cl)cc1CN1CC[C@H](c2nccs2)C1 ZINC000880320111 1125265856 /nfs/dbraw/zinc/26/58/56/1125265856.db2.gz OOSUSEULSJCNPT-JTQLQIEISA-N 0 1 296.798 3.925 20 0 CHADMN COC(C)(C)[C@@H]1CCCN1Cc1ccc(Cl)cc1F ZINC001137660297 1131343324 /nfs/dbraw/zinc/34/33/24/1131343324.db2.gz CDJSEVUZQSSVSS-AWEZNQCLSA-N 0 1 285.790 3.869 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@]12CCCO2)c1ncc(C(C)(C)C)o1 ZINC000880507183 1125277489 /nfs/dbraw/zinc/27/74/89/1125277489.db2.gz GOYRZOBBPUMHRG-AHIWAGSCSA-N 0 1 292.423 3.724 20 0 CHADMN Cc1ccnc(CN2C[C@@H]3CC[C@H]2c2ccccc23)c1 ZINC000880535492 1125278061 /nfs/dbraw/zinc/27/80/61/1125278061.db2.gz DFTUXSOCUHJSPQ-KSSFIOAISA-N 0 1 264.372 3.824 20 0 CHADMN CC(C)CCc1noc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)n1 ZINC000475721379 1125279762 /nfs/dbraw/zinc/27/97/62/1125279762.db2.gz AGJCBQABXFRHLR-RDBSUJKOSA-N 0 1 279.428 3.525 20 0 CHADMN Clc1cccc([C@H]2CC[C@@H](NCc3ccon3)C2)c1 ZINC000666093575 1125281048 /nfs/dbraw/zinc/28/10/48/1125281048.db2.gz PWADHIHGIKWXFS-GXTWGEPZSA-N 0 1 276.767 3.754 20 0 CHADMN Cc1ccc(C)c(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)c1 ZINC000475732224 1125281628 /nfs/dbraw/zinc/28/16/28/1125281628.db2.gz GHDIDGWDGIQAJH-KBMXLJTQSA-N 0 1 288.435 3.608 20 0 CHADMN C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000475733754 1125282436 /nfs/dbraw/zinc/28/24/36/1125282436.db2.gz VGBFSEXDUIKWQC-AGIUHOORSA-N 0 1 293.382 3.559 20 0 CHADMN Cc1cc(C)c(/C=C/CN(C)Cc2cccc(=O)[nH]2)cc1C ZINC000897391396 1125287477 /nfs/dbraw/zinc/28/74/77/1125287477.db2.gz NUWBSDXSHGPWHU-VOTSOKGWSA-N 0 1 296.414 3.858 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(C)c(C)n2)c(C)n1 ZINC000666157806 1125302356 /nfs/dbraw/zinc/30/23/56/1125302356.db2.gz XCLLKKZXGCKHQF-CQSZACIVSA-N 0 1 269.392 3.561 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[C@H](CC(C)C)C1 ZINC000154454094 1125304871 /nfs/dbraw/zinc/30/48/71/1125304871.db2.gz ZBSULLJUJCJWCK-CQSZACIVSA-N 0 1 291.439 3.740 20 0 CHADMN C[C@@H](c1ccccn1)N(C)C/C=C\c1ccc(F)cc1 ZINC000508646960 1125314692 /nfs/dbraw/zinc/31/46/92/1125314692.db2.gz HBCBBPPPONCJEV-GXMNPTEKSA-N 0 1 270.351 3.927 20 0 CHADMN CCc1ncc(CN[C@H](C)c2ccc(OC)c(C)c2)s1 ZINC000897417345 1125321263 /nfs/dbraw/zinc/32/12/63/1125321263.db2.gz LCMIJIOFNPEKBP-GFCCVEGCSA-N 0 1 290.432 3.873 20 0 CHADMN CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1csc(C(C)C)n1 ZINC000191662494 1125325857 /nfs/dbraw/zinc/32/58/57/1125325857.db2.gz QLIZAAZVXYATDE-MRXNPFEDSA-N 0 1 296.480 3.640 20 0 CHADMN CC(C)C[C@@]1(CO)CCCN1Cc1csc(C(C)C)n1 ZINC000191662494 1125325860 /nfs/dbraw/zinc/32/58/60/1125325860.db2.gz QLIZAAZVXYATDE-MRXNPFEDSA-N 0 1 296.480 3.640 20 0 CHADMN C[C@]1(F)CCN(Cc2cccc3cccnc32)C[C@@H]1F ZINC001137171979 1125331636 /nfs/dbraw/zinc/33/16/36/1125331636.db2.gz MHWWEFLUQKAZDS-HOCLYGCPSA-N 0 1 276.330 3.507 20 0 CHADMN Cc1occc1CNC1(c2ccc(F)cc2)CCC1 ZINC000666248613 1125341218 /nfs/dbraw/zinc/34/12/18/1125341218.db2.gz AKKBVFJOWMULLM-UHFFFAOYSA-N 0 1 259.324 3.896 20 0 CHADMN CCN(Cc1cccs1)Cc1cccc(NC(C)=O)c1 ZINC000170643124 1125342627 /nfs/dbraw/zinc/34/26/27/1125342627.db2.gz RJGIPBAZGUXWDO-UHFFFAOYSA-N 0 1 288.416 3.729 20 0 CHADMN CC[C@H](Cc1cccs1)NCc1nnc(C2CC2)s1 ZINC000666254880 1125343242 /nfs/dbraw/zinc/34/32/42/1125343242.db2.gz XKMSOXDESOMPAZ-LLVKDONJSA-N 0 1 293.461 3.588 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1)N1CCn2cccc2C1 ZINC001168179585 1125344237 /nfs/dbraw/zinc/34/42/37/1125344237.db2.gz LMXLZLLWTXABJO-ZDUSSCGKSA-N 0 1 274.795 3.588 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)N1Cc2ccncc2C1 ZINC001168181093 1125348426 /nfs/dbraw/zinc/34/84/26/1125348426.db2.gz XKFKHIRZNJDHLS-GFCCVEGCSA-N 0 1 272.779 3.682 20 0 CHADMN C[C@H](NCc1ccsc1)c1cnn(-c2ccccc2)c1 ZINC000130074369 1125355414 /nfs/dbraw/zinc/35/54/14/1125355414.db2.gz RTIWQNJVYPXRCX-ZDUSSCGKSA-N 0 1 283.400 3.785 20 0 CHADMN Cc1cnc(=S)n(CN(Cc2ccccc2)C(C)C)c1 ZINC000130714187 1125367578 /nfs/dbraw/zinc/36/75/78/1125367578.db2.gz QXVHSXARHZXRKS-UHFFFAOYSA-N 0 1 287.432 3.789 20 0 CHADMN CC(C)c1c[nH]c(CN[C@@H]2c3ccccc3CC[C@H]2C)n1 ZINC000883078111 1125370753 /nfs/dbraw/zinc/37/07/53/1125370753.db2.gz HROQANZFIVOXIE-ACJLOTCBSA-N 0 1 283.419 3.946 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@H]1NCc1cccc(Cl)c1N ZINC000883121480 1125373030 /nfs/dbraw/zinc/37/30/30/1125373030.db2.gz JCBRRWIPDLROCH-QFYYESIMSA-N 0 1 288.778 3.534 20 0 CHADMN CC(C)c1cnc(CN2CC[C@H](C3CCC3)C2)s1 ZINC000666487975 1125375546 /nfs/dbraw/zinc/37/55/46/1125375546.db2.gz ZJBSYKIZWOWXLA-ZDUSSCGKSA-N 0 1 264.438 3.889 20 0 CHADMN CC[C@H](N[C@H](C)c1cnn(C)c1)c1sccc1Cl ZINC000883191734 1125375689 /nfs/dbraw/zinc/37/56/89/1125375689.db2.gz IHZRYQSEATYGLP-SKDRFNHKSA-N 0 1 283.828 3.937 20 0 CHADMN C/C=C/C[C@H]1CCCN(Cc2csc(C)n2)C1 ZINC000626160684 1125375869 /nfs/dbraw/zinc/37/58/69/1125375869.db2.gz NKLCORDRDOQGMK-OOPCZODUSA-N 0 1 250.411 3.630 20 0 CHADMN C/C=C\C[C@H]1CCCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000626160718 1125375898 /nfs/dbraw/zinc/37/58/98/1125375898.db2.gz OFJXOBLJDFUTBE-ZRMMWKCHSA-N 0 1 287.363 3.508 20 0 CHADMN CCCCCN(Cn1cc(C)cnc1=S)C(C)C ZINC000131247914 1125380446 /nfs/dbraw/zinc/38/04/46/1125380446.db2.gz FXDIFASGUXOAHU-UHFFFAOYSA-N 0 1 267.442 3.779 20 0 CHADMN CCCn1nccc1CNCc1ccc(SCC)cc1 ZINC000883235716 1125381767 /nfs/dbraw/zinc/38/17/67/1125381767.db2.gz JKUXQSIQEYPZKB-UHFFFAOYSA-N 0 1 289.448 3.695 20 0 CHADMN CCSc1ccc(CNCc2scnc2C)cc1 ZINC000883235890 1125382123 /nfs/dbraw/zinc/38/21/23/1125382123.db2.gz NAWJZHATPVHIOM-UHFFFAOYSA-N 0 1 278.446 3.853 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000666580945 1125382614 /nfs/dbraw/zinc/38/26/14/1125382614.db2.gz URDHBVOOSODXQQ-AWEZNQCLSA-N 0 1 299.370 3.633 20 0 CHADMN CC[C@H](N[C@H](C)c1ccnn1C)c1sccc1Cl ZINC000883243754 1125382943 /nfs/dbraw/zinc/38/29/43/1125382943.db2.gz WSCLSDFUGMXZOA-KOLCDFICSA-N 0 1 283.828 3.937 20 0 CHADMN COc1cccc(CNCc2cc(C3CC3)ccc2OC)c1 ZINC000883258461 1125386301 /nfs/dbraw/zinc/38/63/01/1125386301.db2.gz CKYUPRPAVZWCQT-UHFFFAOYSA-N 0 1 297.398 3.871 20 0 CHADMN CC(C)Oc1cc(Cl)ccc1CNCc1cc[nH]c1 ZINC000883259094 1125386344 /nfs/dbraw/zinc/38/63/44/1125386344.db2.gz BDQOSRKDZWMNGY-UHFFFAOYSA-N 0 1 278.783 3.745 20 0 CHADMN c1ccc2cc(-c3noc([C@@H]4CCCCN4)n3)ccc2c1 ZINC000054439613 1125389638 /nfs/dbraw/zinc/38/96/38/1125389638.db2.gz XXSHTIAOVCJMCE-HNNXBMFYSA-N 0 1 279.343 3.704 20 0 CHADMN C[C@@H]1CCN(Cc2c(F)cccc2Cl)C[C@H]1C ZINC001168200722 1125392735 /nfs/dbraw/zinc/39/27/35/1125392735.db2.gz IDSMFWQRAIAHSW-GHMZBOCLSA-N 0 1 255.764 3.957 20 0 CHADMN CCC[C@@H]1CN(Cc2c(C)cc(C)cc2C)CCO1 ZINC001168199962 1125393733 /nfs/dbraw/zinc/39/37/33/1125393733.db2.gz CRLGCSCMBLJAIK-MRXNPFEDSA-N 0 1 261.409 3.613 20 0 CHADMN CC(C)N(CC(=O)OC(C)(C)C)CC12CCC(CC1)C2 ZINC001168201683 1125394050 /nfs/dbraw/zinc/39/40/50/1125394050.db2.gz LOEHUZRBKYQKED-UHFFFAOYSA-N 0 1 281.440 3.619 20 0 CHADMN CCN(CCc1ccccc1)Cc1nccn1C(C)C ZINC000170958312 1125397976 /nfs/dbraw/zinc/39/79/76/1125397976.db2.gz NGYHKKZDRGHENW-UHFFFAOYSA-N 0 1 271.408 3.529 20 0 CHADMN Cc1cc(N[C@H](c2nnc[nH]2)C2CCCCC2)cnc1C ZINC000883342674 1125398298 /nfs/dbraw/zinc/39/82/98/1125398298.db2.gz HUHPWURAMZENHN-HNNXBMFYSA-N 0 1 285.395 3.550 20 0 CHADMN Cc1nc(C[N@@H+]2CCC[C@@H]2C(C)C)nc2ccccc12 ZINC000532485898 1125406719 /nfs/dbraw/zinc/40/67/19/1125406719.db2.gz GQSFQSKWZXJVBU-MRXNPFEDSA-N 0 1 269.392 3.559 20 0 CHADMN C[C@H](c1ccccc1Br)N1CCCO[C@@H](C)C1 ZINC000532517921 1125409221 /nfs/dbraw/zinc/40/92/21/1125409221.db2.gz LKTXEZMIRJDIOW-NWDGAFQWSA-N 0 1 298.224 3.621 20 0 CHADMN C[C@@H](c1ccccc1Br)N1CCCO[C@@H](C)C1 ZINC000532518087 1125409349 /nfs/dbraw/zinc/40/93/49/1125409349.db2.gz LKTXEZMIRJDIOW-RYUDHWBXSA-N 0 1 298.224 3.621 20 0 CHADMN Cc1ccccc1[C@H](CO)N[C@H](C)c1ccccc1F ZINC000532551574 1125410694 /nfs/dbraw/zinc/41/06/94/1125410694.db2.gz XYHVTEVHZCUQJK-DYVFJYSZSA-N 0 1 273.351 3.518 20 0 CHADMN Clc1ccc2nc(SCc3cccnc3)[nH]c2c1 ZINC000026440525 1125413173 /nfs/dbraw/zinc/41/31/73/1125413173.db2.gz LFWHBVRBGZDYAN-UHFFFAOYSA-N 0 1 275.764 3.904 20 0 CHADMN COc1cccc(Cl)c1CNCCSC(C)C ZINC000310262615 1125415248 /nfs/dbraw/zinc/41/52/48/1125415248.db2.gz LQNVNOSTRUOYMB-UHFFFAOYSA-N 0 1 273.829 3.580 20 0 CHADMN CC[C@H]1CCCCCN1CC(=O)Nc1ccc(F)cc1F ZINC000532582228 1125416387 /nfs/dbraw/zinc/41/63/87/1125416387.db2.gz UTVDILBOGBHDSE-ZDUSSCGKSA-N 0 1 296.361 3.558 20 0 CHADMN CC1CCC([N@H+]2CCO[C@@](C)(c3ccc(F)cc3)C2)CC1 ZINC001168219520 1125418920 /nfs/dbraw/zinc/41/89/20/1125418920.db2.gz IMBFYFZZJNIQKA-IUPXNIOVSA-N 0 1 291.410 3.952 20 0 CHADMN C[C@H](NCc1csc(Br)c1)c1ccncc1 ZINC000036867816 1125427447 /nfs/dbraw/zinc/42/74/47/1125427447.db2.gz XEXGZXCUUJCKST-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCC2(CCC2)C1 ZINC000123613299 1125431769 /nfs/dbraw/zinc/43/17/69/1125431769.db2.gz DWNFIYYMEOBWMZ-ZDUSSCGKSA-N 0 1 283.375 3.674 20 0 CHADMN C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC2(CCC2)C1 ZINC000123613299 1125431772 /nfs/dbraw/zinc/43/17/72/1125431772.db2.gz DWNFIYYMEOBWMZ-ZDUSSCGKSA-N 0 1 283.375 3.674 20 0 CHADMN C[C@@H](NCc1nc2cccnc2s1)c1cccs1 ZINC000348254987 1125443555 /nfs/dbraw/zinc/44/35/55/1125443555.db2.gz KIDWWDNVMRQXIT-SECBINFHSA-N 0 1 275.402 3.604 20 0 CHADMN CCS[C@@H](C)c1noc(CN2CCC[C@@H]2CC(C)C)n1 ZINC000125193733 1125445255 /nfs/dbraw/zinc/44/52/55/1125445255.db2.gz WOGZEPIDHKTXMT-QWHCGFSZSA-N 0 1 297.468 3.894 20 0 CHADMN Cc1ncc(C[N@H+]2CCc3ccccc3[C@@H]2C)s1 ZINC000106862363 1125445452 /nfs/dbraw/zinc/44/54/52/1125445452.db2.gz HOPXAKORJCSNRL-NSHDSACASA-N 0 1 258.390 3.571 20 0 CHADMN Cc1ncc(CN2CCc3ccccc3[C@@H]2C)s1 ZINC000106862363 1125445453 /nfs/dbraw/zinc/44/54/53/1125445453.db2.gz HOPXAKORJCSNRL-NSHDSACASA-N 0 1 258.390 3.571 20 0 CHADMN COc1ccc(CN(C)Cc2cccc(F)c2)cc1F ZINC000042977304 1125445574 /nfs/dbraw/zinc/44/55/74/1125445574.db2.gz VHCPJSGKFUTKAA-UHFFFAOYSA-N 0 1 277.314 3.605 20 0 CHADMN COc1cccc(CN(C)[C@@H](C)c2sc(C)nc2C)c1 ZINC000106936582 1125446343 /nfs/dbraw/zinc/44/63/43/1125446343.db2.gz BRLYLAVAUWYESH-LBPRGKRZSA-N 0 1 290.432 3.962 20 0 CHADMN COc1cccc(CN(C)[C@H](C)c2sc(C)nc2C)c1 ZINC000106936581 1125446393 /nfs/dbraw/zinc/44/63/93/1125446393.db2.gz BRLYLAVAUWYESH-GFCCVEGCSA-N 0 1 290.432 3.962 20 0 CHADMN CCc1nn(C)c(CC)c1CN(Cc1ccccc1)C1CC1 ZINC000125441617 1125449025 /nfs/dbraw/zinc/44/90/25/1125449025.db2.gz TZUOAPDKDHXREZ-UHFFFAOYSA-N 0 1 297.446 3.710 20 0 CHADMN Cc1noc(C)c1CN1CCC(OC2CCCCC2)CC1 ZINC000125583839 1125449829 /nfs/dbraw/zinc/44/98/29/1125449829.db2.gz RSUUHJNVTCGKEK-UHFFFAOYSA-N 0 1 292.423 3.605 20 0 CHADMN CCN[C@H](C)c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000133369174 1125450718 /nfs/dbraw/zinc/45/07/18/1125450718.db2.gz SRLIZFSMONMWFN-SSDOTTSWSA-N 0 1 286.162 3.714 20 0 CHADMN Cc1ccc(CN(Cc2nccnc2C)C(C)C)s1 ZINC000621713805 1129184784 /nfs/dbraw/zinc/18/47/84/1129184784.db2.gz WYZJAFORGWTRHF-UHFFFAOYSA-N 0 1 275.421 3.566 20 0 CHADMN Nc1c(Cl)cc(Cl)cc1CN1CC[C@@H]2CCC[C@H]21 ZINC000385964397 1129189621 /nfs/dbraw/zinc/18/96/21/1129189621.db2.gz LCPQVNAIKPIYCM-TVQRCGJNSA-N 0 1 285.218 3.950 20 0 CHADMN CC[C@H](C(=O)N(C)Cc1cn[nH]c1C)C1CCC(C)CC1 ZINC000636069022 1129197640 /nfs/dbraw/zinc/19/76/40/1129197640.db2.gz XYTJJBJIMZYGBR-PXCJXSSVSA-N 0 1 291.439 3.529 20 0 CHADMN Cc1[nH]ncc1CN(C)C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000636076655 1129198166 /nfs/dbraw/zinc/19/81/66/1129198166.db2.gz FWRKQVBGBTXLDU-JSGCOSHPSA-N 0 1 291.439 3.529 20 0 CHADMN Cc1[nH]ncc1CN(C)C(=O)c1cc2cc(C)ccc2s1 ZINC000636069252 1129198178 /nfs/dbraw/zinc/19/81/78/1129198178.db2.gz GWKRLPWEMKJCAG-UHFFFAOYSA-N 0 1 299.399 3.513 20 0 CHADMN COc1ccc(OC)c([C@@H](C)NCc2ccsc2C)c1 ZINC000293981388 1129213651 /nfs/dbraw/zinc/21/36/51/1129213651.db2.gz DSOXMGCYOKAZML-LLVKDONJSA-N 0 1 291.416 3.925 20 0 CHADMN C[C@@H]1C[C@H](N[C@H]2CCCc3ccccc32)c2nccn21 ZINC000294264387 1129214759 /nfs/dbraw/zinc/21/47/59/1129214759.db2.gz XMWZLCHDYAOUMP-KCXAZCMYSA-N 0 1 267.376 3.556 20 0 CHADMN CC[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1ccc(OC)cc1 ZINC000294299434 1129215530 /nfs/dbraw/zinc/21/55/30/1129215530.db2.gz ZRDYDJPIXDJUAM-RCBQFDQVSA-N 0 1 285.391 3.638 20 0 CHADMN CC[C@H](NCc1c(Cl)c(C)nn1C)c1ccccc1 ZINC000089232753 1129221705 /nfs/dbraw/zinc/22/17/05/1129221705.db2.gz JRIMMNYRFPQVGC-ZDUSSCGKSA-N 0 1 277.799 3.623 20 0 CHADMN CCCC[C@@H](NCc1nccn1CC)c1ccccc1 ZINC000296321638 1129222110 /nfs/dbraw/zinc/22/21/10/1129222110.db2.gz GVXYJGQMVTWPBB-MRXNPFEDSA-N 0 1 271.408 3.924 20 0 CHADMN C[C@@H](N[C@@H](C)c1csc2ccccc21)c1ccc(=O)[nH]n1 ZINC000796756615 1129224943 /nfs/dbraw/zinc/22/49/43/1129224943.db2.gz VRCMLQQMJFNFMP-WDEREUQCSA-N 0 1 299.399 3.809 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2ccc(C(F)F)nc2)cc1 ZINC000637849248 1129231884 /nfs/dbraw/zinc/23/18/84/1129231884.db2.gz NTYSAFALPPNGMJ-UHFFFAOYSA-N 0 1 276.330 3.960 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(C(F)F)nc2)cc1 ZINC000637849248 1129231885 /nfs/dbraw/zinc/23/18/85/1129231885.db2.gz NTYSAFALPPNGMJ-UHFFFAOYSA-N 0 1 276.330 3.960 20 0 CHADMN COC1CCC(=Nc2cc(Cl)cc(Cl)n2)CC1 ZINC001212873662 1129232948 /nfs/dbraw/zinc/23/29/48/1129232948.db2.gz RIBQCHPWCOLHPQ-SNVBAGLBSA-N 0 1 273.163 3.883 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1cccc(F)c1N ZINC000637884968 1129233338 /nfs/dbraw/zinc/23/33/38/1129233338.db2.gz IVQGPYLCEFBLFC-JTQLQIEISA-N 0 1 294.320 3.879 20 0 CHADMN CN([C@H](c1nccn1C)C1CC1)[C@@H]1CCCc2ccccc21 ZINC000637869391 1129233660 /nfs/dbraw/zinc/23/36/60/1129233660.db2.gz VEMMFKORJOZETB-MSOLQXFVSA-N 0 1 295.430 3.881 20 0 CHADMN COc1cc(Cl)cc(C[N@H+](C(C)C)C2CCC2)c1[O-] ZINC000184697843 1129238570 /nfs/dbraw/zinc/23/85/70/1129238570.db2.gz WJKSRYSXTRMQQY-UHFFFAOYSA-N 0 1 283.799 3.817 20 0 CHADMN COc1cc(Cl)cc(C[N@@H+](C(C)C)C2CCC2)c1[O-] ZINC000184697843 1129238572 /nfs/dbraw/zinc/23/85/72/1129238572.db2.gz WJKSRYSXTRMQQY-UHFFFAOYSA-N 0 1 283.799 3.817 20 0 CHADMN Cc1ncc([C@H](C)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c(C)n1 ZINC000637971062 1129238831 /nfs/dbraw/zinc/23/88/31/1129238831.db2.gz UMSDEPLUGLUGPB-PYFYCLPPSA-N 0 1 285.435 3.665 20 0 CHADMN FC(F)c1ccc(CN2CCS[C@H]3CCCC[C@@H]32)cn1 ZINC000638121368 1129245346 /nfs/dbraw/zinc/24/53/46/1129245346.db2.gz KTQSGPWUBZLXOG-KBPBESRZSA-N 0 1 298.402 3.879 20 0 CHADMN Cn1ccnc1[C@H](N[C@H](c1ccccc1)C1CC1)C1CC1 ZINC000638316377 1129253241 /nfs/dbraw/zinc/25/32/41/1129253241.db2.gz BKGHTFHJAOBQQJ-IAGOWNOFSA-N 0 1 281.403 3.612 20 0 CHADMN Cc1nc(CNC[C@H](OC(C)C)c2ccccc2)cs1 ZINC000638329582 1129254216 /nfs/dbraw/zinc/25/42/16/1129254216.db2.gz VXOZRMAICFPDTE-INIZCTEOSA-N 0 1 290.432 3.707 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1cc(C2CC2)no1 ZINC000638426489 1129258360 /nfs/dbraw/zinc/25/83/60/1129258360.db2.gz UGDXNORPWOZXBP-MRXNPFEDSA-N 0 1 268.360 3.638 20 0 CHADMN Cc1cnc(CNCCc2csc3ccccc23)o1 ZINC000638437743 1129258950 /nfs/dbraw/zinc/25/89/50/1129258950.db2.gz FPZCTNLAVNOKAO-UHFFFAOYSA-N 0 1 272.373 3.530 20 0 CHADMN Cc1cnc(CNC[C@@H](OC(C)C)c2ccccc2)s1 ZINC000638633759 1129263958 /nfs/dbraw/zinc/26/39/58/1129263958.db2.gz GMNAQACJMZPRHM-OAHLLOKOSA-N 0 1 290.432 3.707 20 0 CHADMN CC(C)[C@H]1CN(C(=O)CCCC2CCCCC2)CCN1C ZINC000622555473 1129266413 /nfs/dbraw/zinc/26/64/13/1129266413.db2.gz WVPVZJXOSBIGGQ-QGZVFWFLSA-N 0 1 294.483 3.536 20 0 CHADMN C[C@H](N(C)Cc1ccn(-c2cccc(F)c2)n1)C(C)(C)C ZINC000622586277 1129266993 /nfs/dbraw/zinc/26/69/93/1129266993.db2.gz RYZFJJKFDNTKFS-ZDUSSCGKSA-N 0 1 289.398 3.878 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@H]1NCc1cc(C#N)ccc1F ZINC000090117298 1129268946 /nfs/dbraw/zinc/26/89/46/1129268946.db2.gz GCGYEXYJCZWPLQ-XIKOKIGWSA-N 0 1 280.346 3.720 20 0 CHADMN Cc1cc(CN[C@H]2CCCOc3cc(F)ccc32)sn1 ZINC000638845365 1129271827 /nfs/dbraw/zinc/27/18/27/1129271827.db2.gz NOTZGAMYOKJRKR-AWEZNQCLSA-N 0 1 292.379 3.594 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc3ccccc3s2)nn1 ZINC000282625445 1129274322 /nfs/dbraw/zinc/27/43/22/1129274322.db2.gz ALAVCZUNYRQHRS-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN Cc1scc(CN(C)[C@H](C)c2ccncc2)c1C ZINC000639041791 1129277887 /nfs/dbraw/zinc/27/78/87/1129277887.db2.gz ZANXMCOGJFOEKZ-GFCCVEGCSA-N 0 1 260.406 3.953 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1cccc(F)c1N ZINC000639065449 1129279569 /nfs/dbraw/zinc/27/95/69/1129279569.db2.gz HIDRJNFNOFLDQX-ONGXEEELSA-N 0 1 290.304 3.571 20 0 CHADMN C[C@]12CCCC[C@H]1CN2Cc1csc(-c2ccccn2)n1 ZINC000626105496 1129281141 /nfs/dbraw/zinc/28/11/41/1129281141.db2.gz HUOGESSMDRXJIO-GUYCJALGSA-N 0 1 299.443 3.970 20 0 CHADMN Cc1ccc(NC(=O)CN2C[C@@H]3CCCC[C@@]32C)c(C)c1 ZINC000626104895 1129281238 /nfs/dbraw/zinc/28/12/38/1129281238.db2.gz JAVVQRGSTCEPGU-YJBOKZPZSA-N 0 1 286.419 3.506 20 0 CHADMN COc1cc(CNCc2ccc(C3CCC3)cc2)sn1 ZINC000639105280 1129282023 /nfs/dbraw/zinc/28/20/23/1129282023.db2.gz GHMQMKLYTGAZEM-UHFFFAOYSA-N 0 1 288.416 3.709 20 0 CHADMN Cc1ccc([C@H](N[C@H]2CS[C@H](C)C2)c2ccccn2)cc1 ZINC000639119578 1129283767 /nfs/dbraw/zinc/28/37/67/1129283767.db2.gz LUSSJGVWNMBULU-KYJSFNMBSA-N 0 1 298.455 3.963 20 0 CHADMN CCC[C@@H](CN[C@H](c1ccc(C)cc1)c1ccccn1)OC ZINC000639118264 1129284286 /nfs/dbraw/zinc/28/42/86/1129284286.db2.gz CHCMQOQQPZRQQY-PKOBYXMFSA-N 0 1 298.430 3.884 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)[C@@H](C)c1cnc(C)nc1C ZINC000639178543 1129289390 /nfs/dbraw/zinc/28/93/90/1129289390.db2.gz LRXNBFYOQSNKBV-GUYCJALGSA-N 0 1 284.407 3.633 20 0 CHADMN c1ccc(C2CC2)c(CSc2nc(C3CC3)n[nH]2)c1 ZINC001327662470 1129290091 /nfs/dbraw/zinc/29/00/91/1129290091.db2.gz MZKLXMAQTQOPCK-UHFFFAOYSA-N 0 1 271.389 3.852 20 0 CHADMN c1ccc(C2CC2)c(CSc2n[nH]c(C3CC3)n2)c1 ZINC001327662470 1129290095 /nfs/dbraw/zinc/29/00/95/1129290095.db2.gz MZKLXMAQTQOPCK-UHFFFAOYSA-N 0 1 271.389 3.852 20 0 CHADMN FC(F)C1(NC[C@H]2CCN(c3ccccc3)C2)CCCC1 ZINC000639186612 1129290195 /nfs/dbraw/zinc/29/01/95/1129290195.db2.gz QOUWQYXCCREYRO-CQSZACIVSA-N 0 1 294.389 3.680 20 0 CHADMN COc1cc(F)c([C@H](C)NCc2ccsc2)cc1OC ZINC000734004529 1129290680 /nfs/dbraw/zinc/29/06/80/1129290680.db2.gz NKIFDTNOUCPTGV-JTQLQIEISA-N 0 1 295.379 3.755 20 0 CHADMN CCC(N)=NOCCCOc1cccc(C(C)(C)C)c1 ZINC000733998009 1129291895 /nfs/dbraw/zinc/29/18/95/1129291895.db2.gz KUOCJRSMNUYYCI-UHFFFAOYSA-N 0 1 278.396 3.661 20 0 CHADMN Cc1cnc(CNC2(C(C)(C)c3ccccc3)CC2)o1 ZINC000639239322 1129296365 /nfs/dbraw/zinc/29/63/65/1129296365.db2.gz ISKFNTYRQDBTPY-UHFFFAOYSA-N 0 1 270.376 3.583 20 0 CHADMN FC1CC2(C1)CN(Cc1ccc(CC(F)(F)F)cc1)C2 ZINC000639252995 1129297478 /nfs/dbraw/zinc/29/74/78/1129297478.db2.gz YPKFVKVSPGLVQB-UHFFFAOYSA-N 0 1 287.300 3.725 20 0 CHADMN COc1cc(C)c(NCc2ccc3nc[nH]c3c2)cc1OC ZINC000734157948 1129297674 /nfs/dbraw/zinc/29/76/74/1129297674.db2.gz FDQRQTKLFWUIIC-UHFFFAOYSA-N 0 1 297.358 3.501 20 0 CHADMN CC1=C(C)C[C@H]([C@H](C)N[C@H](C)c2csnn2)CC1 ZINC000639266998 1129298348 /nfs/dbraw/zinc/29/83/48/1129298348.db2.gz VEUUDRQCDVEWJR-YNEHKIRRSA-N 0 1 265.426 3.714 20 0 CHADMN C(NC1CCC(=C2CCC2)CC1)c1nnc(C2CC2)s1 ZINC000639272349 1129298547 /nfs/dbraw/zinc/29/85/47/1129298547.db2.gz YCIPEKNMFPDKCL-UHFFFAOYSA-N 0 1 289.448 3.928 20 0 CHADMN COc1cc(C)c([C@H](C)N2CC3(CC3(F)F)C2)cc1C ZINC000639293903 1129300493 /nfs/dbraw/zinc/30/04/93/1129300493.db2.gz BMCVCNQVYPMRBJ-LBPRGKRZSA-N 0 1 281.346 3.714 20 0 CHADMN Cc1ccnc(N[C@H](C)c2cnc(C)nc2C)c1C1CC1 ZINC000639312339 1129301869 /nfs/dbraw/zinc/30/18/69/1129301869.db2.gz WIOABTZUIBIROX-GFCCVEGCSA-N 0 1 282.391 3.847 20 0 CHADMN Cc1ccnc(N[C@@H]2CCOC(C)(C)C2)c1C1CC1 ZINC000639311853 1129302054 /nfs/dbraw/zinc/30/20/54/1129302054.db2.gz QGNOYTQEHOFDDP-CYBMUJFWSA-N 0 1 260.381 3.637 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2NCc1ccns1 ZINC000639326096 1129302968 /nfs/dbraw/zinc/30/29/68/1129302968.db2.gz DJDNBFSYVAZROS-HNNXBMFYSA-N 0 1 258.390 3.619 20 0 CHADMN CSCCCN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000246592044 1129304124 /nfs/dbraw/zinc/30/41/24/1129304124.db2.gz FVMJOPDFKBCVOR-IIAWOOMASA-N 0 1 279.449 3.590 20 0 CHADMN C[C@H]1CN(Cc2ccc(C(F)F)nc2)C[C@H](C)C1(F)F ZINC000639346775 1129304386 /nfs/dbraw/zinc/30/43/86/1129304386.db2.gz SFLIQFOBTDEBHZ-UWVGGRQHSA-N 0 1 290.304 3.742 20 0 CHADMN CCOC1CC(CN[C@@H](CCc2ccccc2)C(F)F)C1 ZINC000639346244 1129304438 /nfs/dbraw/zinc/30/44/38/1129304438.db2.gz FQUMRFWEJBGYOD-GPANFISMSA-N 0 1 297.389 3.658 20 0 CHADMN CC1(C)CN(Cc2ccccc2OCc2cccnc2)C1 ZINC000639407265 1129311741 /nfs/dbraw/zinc/31/17/41/1129311741.db2.gz WAJPIMCLPBEINA-UHFFFAOYSA-N 0 1 282.387 3.502 20 0 CHADMN CCCCC(CCCC)[N@H+]1CCn2c(cnc2C)C1 ZINC001258385607 1129317241 /nfs/dbraw/zinc/31/72/41/1129317241.db2.gz ZXWKNLFIBITWBL-UHFFFAOYSA-N 0 1 263.429 3.756 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1nc(C2CCC2)no1)C1CC1 ZINC000639476965 1129318595 /nfs/dbraw/zinc/31/85/95/1129318595.db2.gz MRXVKVVCZGCONX-RYUDHWBXSA-N 0 1 277.412 3.736 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1nc(C2CCC2)no1 ZINC000639490592 1129319249 /nfs/dbraw/zinc/31/92/49/1129319249.db2.gz SQEITFWVQJGNRA-XJKSGUPXSA-N 0 1 297.402 3.715 20 0 CHADMN CC(C)N(Cc1nc(CC2CC2)no1)C1CCCCC1 ZINC000639527376 1129322334 /nfs/dbraw/zinc/32/23/34/1129322334.db2.gz SOQQAVZORGKRAY-UHFFFAOYSA-N 0 1 277.412 3.565 20 0 CHADMN CCC(F)(F)CN1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000639640351 1129328449 /nfs/dbraw/zinc/32/84/49/1129328449.db2.gz COEPYILHMLNRNO-OAGGEKHMSA-N 0 1 295.373 3.536 20 0 CHADMN Clc1cncc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000639695284 1129329530 /nfs/dbraw/zinc/32/95/30/1129329530.db2.gz TXCDMSYCOPRVTP-OAHLLOKOSA-N 0 1 287.794 3.510 20 0 CHADMN Clc1cncc(CN2CCC[C@@H](c3cccnc3)C2)c1 ZINC000639695284 1129329535 /nfs/dbraw/zinc/32/95/35/1129329535.db2.gz TXCDMSYCOPRVTP-OAHLLOKOSA-N 0 1 287.794 3.510 20 0 CHADMN COc1cc(F)cc(CN[C@@H](C)c2ccnc(Cl)c2)c1 ZINC000090972390 1129338232 /nfs/dbraw/zinc/33/82/32/1129338232.db2.gz GKIWCDBLBPZSMK-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN OC[C@@H](NCc1ccccc1)c1ccccc1C(F)(F)F ZINC000038111005 1129340381 /nfs/dbraw/zinc/34/03/81/1129340381.db2.gz CSSGBKIQFZMNTC-OAHLLOKOSA-N 0 1 295.304 3.529 20 0 CHADMN Cc1nc(CN2CCC3(CCSCC3)CC2)sc1C ZINC000639980457 1129342527 /nfs/dbraw/zinc/34/25/27/1129342527.db2.gz YEIXFCLTXGGYNI-UHFFFAOYSA-N 0 1 296.505 3.869 20 0 CHADMN Cc1n[nH]cc1CN(C)C/C=C/c1ccc(Cl)cc1 ZINC000639971086 1129342649 /nfs/dbraw/zinc/34/26/49/1129342649.db2.gz MUHFERHBTAFWCZ-ONEGZZNKSA-N 0 1 275.783 3.517 20 0 CHADMN c1cc(NCc2nc3c(s2)CCC3)nc2c1CCCC2 ZINC000719528370 1129342669 /nfs/dbraw/zinc/34/26/69/1129342669.db2.gz MPWAJAJTGYUSRS-UHFFFAOYSA-N 0 1 285.416 3.518 20 0 CHADMN FCCC1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000639987824 1129343321 /nfs/dbraw/zinc/34/33/21/1129343321.db2.gz RSUOJEWHTJBYCY-UHFFFAOYSA-N 0 1 288.366 3.913 20 0 CHADMN C[C@@H]1C[C@H](NCc2nc3c(s2)CCC3)c2ccccc21 ZINC000719557085 1129344048 /nfs/dbraw/zinc/34/40/48/1129344048.db2.gz BCKLTIHAQWBMIG-ABAIWWIYSA-N 0 1 284.428 3.970 20 0 CHADMN CC1(F)CCN(Cc2nsc3ccccc32)CC1 ZINC000640072279 1129347351 /nfs/dbraw/zinc/34/73/51/1129347351.db2.gz FVWMBHFSEVUQGA-UHFFFAOYSA-N 0 1 264.369 3.620 20 0 CHADMN Cc1ccsc1[C@@H](C)NCc1nc2c(s1)CCC2 ZINC000719610457 1129348256 /nfs/dbraw/zinc/34/82/56/1129348256.db2.gz HAPDVINZAYLTDI-SNVBAGLBSA-N 0 1 278.446 3.853 20 0 CHADMN Cc1cnc(CCN[C@@H](CF)c2ccc(F)cc2)c(C)c1 ZINC000640155324 1129350903 /nfs/dbraw/zinc/35/09/03/1129350903.db2.gz UDZDBBCHDFEPEA-KRWDZBQOSA-N 0 1 290.357 3.680 20 0 CHADMN CCCCC[C@@H](CC)[NH2+]CC(=O)c1ccc([O-])cc1 ZINC001258437151 1129354783 /nfs/dbraw/zinc/35/47/83/1129354783.db2.gz WUFXMHBUOFWPRA-CQSZACIVSA-N 0 1 263.381 3.523 20 0 CHADMN C[C@@H]1SCCN(C/C=C/Cl)[C@@H]1c1ccccc1 ZINC000735744639 1129357330 /nfs/dbraw/zinc/35/73/30/1129357330.db2.gz UZUZIGKUPRHLGC-PDCFVHEKSA-N 0 1 267.825 3.918 20 0 CHADMN CC(C)C1CN(C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000795547408 1129362260 /nfs/dbraw/zinc/36/22/60/1129362260.db2.gz QVAVMTCHZGAPRF-CQSZACIVSA-N 0 1 288.218 3.615 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCCC2(CC2)CC1 ZINC000626114287 1129370424 /nfs/dbraw/zinc/37/04/24/1129370424.db2.gz APFVAXIENAGFPR-CYBMUJFWSA-N 0 1 297.402 3.663 20 0 CHADMN CC(C)OCCC[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000247471130 1129372192 /nfs/dbraw/zinc/37/21/92/1129372192.db2.gz GYIRSQSNWOMTKA-JFIYKMOQSA-N 0 1 291.435 3.652 20 0 CHADMN CC(C)OCCCN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000247471130 1129372197 /nfs/dbraw/zinc/37/21/97/1129372197.db2.gz GYIRSQSNWOMTKA-JFIYKMOQSA-N 0 1 291.435 3.652 20 0 CHADMN CN(Cc1c[nH]c2c1cccc2Cl)Cc1ccccn1 ZINC001138830840 1129373324 /nfs/dbraw/zinc/37/33/24/1129373324.db2.gz WDHXGTBQRQHIMD-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN COc1ccc(-c2ccc3nc[nH]c3c2C)cc1C ZINC001240864806 1129379717 /nfs/dbraw/zinc/37/97/17/1129379717.db2.gz IHIKJCSCMBMHHZ-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN C[C@@H](NCc1cc[nH]c1)c1nc2ccccc2n1C(F)F ZINC000641705709 1129387581 /nfs/dbraw/zinc/38/75/81/1129387581.db2.gz SNFWORRJALQDRV-SNVBAGLBSA-N 0 1 290.317 3.610 20 0 CHADMN CSc1ccc(CN[C@H](C)c2ccc3c(c2)OCO3)o1 ZINC000641706083 1129387826 /nfs/dbraw/zinc/38/78/26/1129387826.db2.gz XGKIBLIQDVAKAG-SNVBAGLBSA-N 0 1 291.372 3.581 20 0 CHADMN CCCc1ccc(CNCc2ccc(C)cn2)s1 ZINC000641765155 1129390466 /nfs/dbraw/zinc/39/04/66/1129390466.db2.gz UGKNKZFCCOXDRW-UHFFFAOYSA-N 0 1 260.406 3.694 20 0 CHADMN Fc1cccnc1CN[C@@H](c1ccccc1)C1CCC1 ZINC000641777240 1129391482 /nfs/dbraw/zinc/39/14/82/1129391482.db2.gz NJPYXNQPMOYCNV-KRWDZBQOSA-N 0 1 270.351 3.852 20 0 CHADMN c1nc(C2CC2)sc1CNc1ccc2c[nH]nc2c1 ZINC000641784284 1129392546 /nfs/dbraw/zinc/39/25/46/1129392546.db2.gz XTFUBPLQTSZECY-UHFFFAOYSA-N 0 1 270.361 3.509 20 0 CHADMN CCCc1cc(C(=O)N(C)[C@H](C)c2cc(C)ccc2C)n[nH]1 ZINC000642046839 1129402552 /nfs/dbraw/zinc/40/25/52/1129402552.db2.gz MDKWFVZKEOUPBL-CQSZACIVSA-N 0 1 299.418 3.812 20 0 CHADMN Oc1ccccc1-c1cccc2nc(C(F)(F)F)[nH]c21 ZINC001241023676 1129408077 /nfs/dbraw/zinc/40/80/77/1129408077.db2.gz XVFMGGQPADSNSE-UHFFFAOYSA-N 0 1 278.233 3.954 20 0 CHADMN COc1cc2cnc(NC(C)(C)C3CC3)cc2cc1OC ZINC001155069216 1129414189 /nfs/dbraw/zinc/41/41/89/1129414189.db2.gz WVZYJEJCCWHUDV-UHFFFAOYSA-N 0 1 286.375 3.853 20 0 CHADMN CC[C@H]1CCCN([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000642330224 1129414351 /nfs/dbraw/zinc/41/43/51/1129414351.db2.gz BBVZPBTYAQDDCG-NEPJUHHUSA-N 0 1 291.420 3.981 20 0 CHADMN c1ccc([C@@H](NCc2nc3c(s2)CCC3)C2CC2)cc1 ZINC000093054169 1129415967 /nfs/dbraw/zinc/41/59/67/1129415967.db2.gz JLGPWQHKMRGKAM-QGZVFWFLSA-N 0 1 284.428 3.873 20 0 CHADMN CC1CCN(Cc2cc(-c3ccccc3)on2)CC1 ZINC000205268433 1129418177 /nfs/dbraw/zinc/41/81/77/1129418177.db2.gz AMCJCSXDWSNORP-UHFFFAOYSA-N 0 1 256.349 3.574 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCCN(C)Cc1ccccc1F ZINC000642524649 1129419693 /nfs/dbraw/zinc/41/96/93/1129419693.db2.gz ODKIBTHDXQKDDQ-RHSMWYFYSA-N 0 1 279.399 3.853 20 0 CHADMN FC(F)(F)c1cccnc1CN1CCC2(CCCC2)C1 ZINC000093336558 1129420861 /nfs/dbraw/zinc/42/08/61/1129420861.db2.gz VIJPMICZRWKSOB-UHFFFAOYSA-N 0 1 284.325 3.867 20 0 CHADMN CCOC(C[N@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1)OCC ZINC000248604958 1129423991 /nfs/dbraw/zinc/42/39/91/1129423991.db2.gz FMJGKHGUVBCGDO-ZFWWWQNUSA-N 0 1 295.423 3.760 20 0 CHADMN Cc1cccc(C)c1COC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000741016363 1129426692 /nfs/dbraw/zinc/42/66/92/1129426692.db2.gz HVHWRYBFBKNMEI-OWCLPIDISA-N 0 1 289.419 3.608 20 0 CHADMN C[C@@H](OC(=O)[C@@H](C)N1CCCCCC1)c1cccc(F)c1 ZINC000741028218 1129427393 /nfs/dbraw/zinc/42/73/93/1129427393.db2.gz DXTQQGVPJHPXTE-ZIAGYGMSSA-N 0 1 293.382 3.694 20 0 CHADMN C[C@H](C(=O)OCc1cccc(Cl)c1)N1CCCCCC1 ZINC000741029329 1129427405 /nfs/dbraw/zinc/42/74/05/1129427405.db2.gz NNDQZLHPGVZNAM-CYBMUJFWSA-N 0 1 295.810 3.648 20 0 CHADMN Cc1n[nH]c(C2CC2)c1-c1nc(-c2ccc(F)cc2C)no1 ZINC001212958672 1129427899 /nfs/dbraw/zinc/42/78/99/1129427899.db2.gz GHROGUGPLGGVEF-UHFFFAOYSA-N 0 1 298.321 3.760 20 0 CHADMN CCc1nn(C)cc1CN(C)[C@@H](C)c1cccc(Cl)c1 ZINC000179680227 1129430737 /nfs/dbraw/zinc/43/07/37/1129430737.db2.gz PXAMLMFPIYYPNY-LBPRGKRZSA-N 0 1 291.826 3.829 20 0 CHADMN COc1ccc2ccc(NC(=N)C(C)(C)C)nc2c1 ZINC001155180358 1129444019 /nfs/dbraw/zinc/44/40/19/1129444019.db2.gz TVPJTHVFKZODEQ-UHFFFAOYSA-N 0 1 257.337 3.679 20 0 CHADMN Cc1cnc(=S)n(C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2)c1 ZINC000795748883 1129446134 /nfs/dbraw/zinc/44/61/34/1129446134.db2.gz ZPCWDGXYGIYUBU-CJNGLKHVSA-N 0 1 299.443 3.962 20 0 CHADMN Clc1ccccc1-c1cnc([C@@H]2CCCCN2)nc1 ZINC000094576880 1129447610 /nfs/dbraw/zinc/44/76/10/1129447610.db2.gz ZFIKUXCLEWBLEW-AWEZNQCLSA-N 0 1 273.767 3.612 20 0 CHADMN C[C@@H](N[C@H](C)c1ccnc(Cl)c1)c1cncs1 ZINC000795836333 1129451256 /nfs/dbraw/zinc/45/12/56/1129451256.db2.gz AOHCATXCTVHPDO-RKDXNWHRSA-N 0 1 267.785 3.603 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@H]1CCSc2ccc(F)cc21 ZINC000180279340 1129466121 /nfs/dbraw/zinc/46/61/21/1129466121.db2.gz VKZVJCQAZYGBSI-XPTSAGLGSA-N 0 1 291.395 3.745 20 0 CHADMN CC(C)C1CCN(Cn2ccc(-c3ccsc3)n2)CC1 ZINC000742171372 1129468890 /nfs/dbraw/zinc/46/88/90/1129468890.db2.gz FHIDMAMSQGRVCP-UHFFFAOYSA-N 0 1 289.448 3.937 20 0 CHADMN CC[C@](C)(NCc1cn2ccccc2n1)c1ccccc1 ZINC000742369837 1129471813 /nfs/dbraw/zinc/47/18/13/1129471813.db2.gz GQUZWNOUZAAEHB-SFHVURJKSA-N 0 1 279.387 3.749 20 0 CHADMN Cc1cccc(F)c1CNCc1cnc2ccccc2c1 ZINC000742380592 1129472831 /nfs/dbraw/zinc/47/28/31/1129472831.db2.gz HBCWQHWDYNDHTM-UHFFFAOYSA-N 0 1 280.346 3.972 20 0 CHADMN Cc1cccc(F)c1CNCc1cccc2cccnc21 ZINC000742380682 1129473165 /nfs/dbraw/zinc/47/31/65/1129473165.db2.gz QHBZNLPMVPFSPV-UHFFFAOYSA-N 0 1 280.346 3.972 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cc(C)ccc1C ZINC001241191628 1129473242 /nfs/dbraw/zinc/47/32/42/1129473242.db2.gz QHTRPQFSKHMVBV-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN Cc1cnc([C@H](C)N2CCS[C@H](c3ccccc3)C2)cn1 ZINC000644668664 1129473389 /nfs/dbraw/zinc/47/33/89/1129473389.db2.gz GNGSAXFDTHGXSE-YOEHRIQHSA-N 0 1 299.443 3.636 20 0 CHADMN Fc1ccc(C(F)(F)F)cc1CNCCOC1CCC1 ZINC000742385772 1129473700 /nfs/dbraw/zinc/47/37/00/1129473700.db2.gz SILXRNZZAIOQKG-UHFFFAOYSA-N 0 1 291.288 3.503 20 0 CHADMN CCc1nc(C)c(CN2C[C@H](C(F)(F)F)CC[C@H]2C)o1 ZINC000644682386 1129474519 /nfs/dbraw/zinc/47/45/19/1129474519.db2.gz UHQDHYXEDPPRRS-MWLCHTKSSA-N 0 1 290.329 3.708 20 0 CHADMN Cc1ccc(-c2noc(CN3CCC(C4CC4)CC3)n2)cc1 ZINC000644720390 1129477133 /nfs/dbraw/zinc/47/71/33/1129477133.db2.gz ZKSNVBQPKQIQDY-UHFFFAOYSA-N 0 1 297.402 3.667 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCC(C3CC3)CC2)n1 ZINC000644720671 1129477162 /nfs/dbraw/zinc/47/71/62/1129477162.db2.gz YVYKLJYYFZCCIT-UHFFFAOYSA-N 0 1 297.402 3.667 20 0 CHADMN CC1CC(N(C)Cc2ccc(F)cc2Br)C1 ZINC001137545669 1131376972 /nfs/dbraw/zinc/37/69/72/1131376972.db2.gz YIXAWLOTLQNSOE-UHFFFAOYSA-N 0 1 286.188 3.819 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1n[nH]c(C(C)(C)C)n1 ZINC000644994086 1129483256 /nfs/dbraw/zinc/48/32/56/1129483256.db2.gz DYSQUIYYVZWZOJ-OAHLLOKOSA-N 0 1 298.434 3.612 20 0 CHADMN Cc1nc(C(C)C)ccc1CN[C@@](C)(CO)c1ccccc1 ZINC000645085997 1129486865 /nfs/dbraw/zinc/48/68/65/1129486865.db2.gz RZAWCONIUKKOCH-IBGZPJMESA-N 0 1 298.430 3.511 20 0 CHADMN Cc1nc(C2(NC[C@H](C)C3CCCCC3)CCCC2)no1 ZINC000645089620 1129487219 /nfs/dbraw/zinc/48/72/19/1129487219.db2.gz CPEGUKINSQVTHD-ZDUSSCGKSA-N 0 1 291.439 3.953 20 0 CHADMN CCn1ccnc1[C@H]1CCCCN1CCCOC(C)(C)C ZINC000645137337 1129488588 /nfs/dbraw/zinc/48/85/88/1129488588.db2.gz NBPYNGMHGQZNLJ-OAHLLOKOSA-N 0 1 293.455 3.635 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@@H]2CCc3ccccc32)c1Cl ZINC000645154706 1129489510 /nfs/dbraw/zinc/48/95/10/1129489510.db2.gz LZDCZVGHUFCKJM-ZDUSSCGKSA-N 0 1 287.790 3.865 20 0 CHADMN CCC(CC)[C@H](CC[NH2+]Cc1cccc([O-])c1Cl)OC ZINC000645169389 1129490021 /nfs/dbraw/zinc/49/00/21/1129490021.db2.gz BRYMAKKTLORPFL-HNNXBMFYSA-N 0 1 299.842 3.977 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000379480587 1129492842 /nfs/dbraw/zinc/49/28/42/1129492842.db2.gz BVCNZVGXNVBZBX-RHSMWYFYSA-N 0 1 275.392 3.633 20 0 CHADMN C[C@H](O)c1ccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)cc1 ZINC000250671763 1129493559 /nfs/dbraw/zinc/49/35/59/1129493559.db2.gz XUQIMIPOZBFKDN-IIYDPXPESA-N 0 1 285.387 3.746 20 0 CHADMN C[C@H](CNc1cc[nH+]c2c([O-])cccc12)CC(F)F ZINC000645307104 1129494841 /nfs/dbraw/zinc/49/48/41/1129494841.db2.gz MWQQTCPOMWLULZ-VIFPVBQESA-N 0 1 266.291 3.644 20 0 CHADMN C[C@@H]1CN(c2ccnc3cc(F)ccc32)CC2(CCC2)O1 ZINC000645393422 1129496715 /nfs/dbraw/zinc/49/67/15/1129496715.db2.gz XIWCHDGOXJUTNF-GFCCVEGCSA-N 0 1 286.350 3.522 20 0 CHADMN CC(C)N(C)CC(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000742782183 1129499616 /nfs/dbraw/zinc/49/96/16/1129499616.db2.gz OJRKMJPEWBEBHR-UHFFFAOYSA-N 0 1 297.402 3.709 20 0 CHADMN CN(CCC[C@H]1CCOC1)Cc1ccc(F)cc1Cl ZINC000645800664 1129507726 /nfs/dbraw/zinc/50/77/26/1129507726.db2.gz FGLVRTPDIHCJBM-LBPRGKRZSA-N 0 1 285.790 3.728 20 0 CHADMN CCN(c1ccc(NCc2c(C)cnn2C)cc1)C(C)C ZINC000796273983 1129509206 /nfs/dbraw/zinc/50/92/06/1129509206.db2.gz VYTWEUGDCSKBRR-UHFFFAOYSA-N 0 1 286.423 3.575 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCN1CCc1c(F)cccc1F ZINC000645895827 1129511389 /nfs/dbraw/zinc/51/13/89/1129511389.db2.gz OCQGGKVOGQNMOH-MWLCHTKSSA-N 0 1 293.279 3.780 20 0 CHADMN CCOc1ccc(F)c(F)c1-c1cccc2cncn21 ZINC001241310843 1129513988 /nfs/dbraw/zinc/51/39/88/1129513988.db2.gz ONQDICNUZZKZSG-UHFFFAOYSA-N 0 1 274.270 3.678 20 0 CHADMN Clc1cc2c(s1)CCN(CCC[C@@H]1CCOC1)C2 ZINC000645954589 1129514412 /nfs/dbraw/zinc/51/44/12/1129514412.db2.gz QBUXTGSKOPJJPE-LLVKDONJSA-N 0 1 285.840 3.576 20 0 CHADMN Fc1ccccc1C1(NCc2cnc3ccccn23)CCC1 ZINC000646025687 1129518193 /nfs/dbraw/zinc/51/81/93/1129518193.db2.gz SPJVZNAROWDXII-UHFFFAOYSA-N 0 1 295.361 3.642 20 0 CHADMN Cc1ncccc1CNC1(c2ccccc2F)CCC1 ZINC000646024065 1129518230 /nfs/dbraw/zinc/51/82/30/1129518230.db2.gz PLHWPZCWQCUJBQ-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN CC1(C)CCC[C@H]1[C@@H]1CCN(Cc2nc(C3CC3)no2)C1 ZINC000646049733 1129519397 /nfs/dbraw/zinc/51/93/97/1129519397.db2.gz UIRLCDWBWVPHBL-KGLIPLIRSA-N 0 1 289.423 3.595 20 0 CHADMN C[C@@H](C(=O)Nc1c(F)cccc1F)N(C)CCC(C)(C)C ZINC000646027643 1129519406 /nfs/dbraw/zinc/51/94/06/1129519406.db2.gz URHVSEMQEGOAPL-NSHDSACASA-N 0 1 298.377 3.660 20 0 CHADMN CC(C)n1cc(CN2CC[C@@H]([C@@H]3CCCC3(C)C)C2)nn1 ZINC000646052347 1129520457 /nfs/dbraw/zinc/52/04/57/1129520457.db2.gz NKECAEAERCAFQH-ZBFHGGJFSA-N 0 1 290.455 3.507 20 0 CHADMN OCC[C@H](NCc1cccc(Cl)c1)c1ccccc1F ZINC000646066494 1129520699 /nfs/dbraw/zinc/52/06/99/1129520699.db2.gz WEFWDWHAZXNGQV-INIZCTEOSA-N 0 1 293.769 3.692 20 0 CHADMN CCc1nocc1CN1CCS[C@H](c2ccccc2)C1 ZINC000646087868 1129521251 /nfs/dbraw/zinc/52/12/51/1129521251.db2.gz XNGCDTUWAQGVCE-INIZCTEOSA-N 0 1 288.416 3.527 20 0 CHADMN CCc1nocc1CN1CCS[C@@H](c2ccccc2)C1 ZINC000646087869 1129521329 /nfs/dbraw/zinc/52/13/29/1129521329.db2.gz XNGCDTUWAQGVCE-MRXNPFEDSA-N 0 1 288.416 3.527 20 0 CHADMN CN(Cc1ncc(-c2ccc(F)cc2)o1)C(C)(C)C ZINC000646087787 1129521568 /nfs/dbraw/zinc/52/15/68/1129521568.db2.gz WCNYKVDLIZKCTC-UHFFFAOYSA-N 0 1 262.328 3.711 20 0 CHADMN Cc1c(CNC2(c3cccc(Cl)c3)CCC2)cnn1C ZINC000646095073 1129522642 /nfs/dbraw/zinc/52/26/42/1129522642.db2.gz DUGKWHGWPRDCGT-UHFFFAOYSA-N 0 1 289.810 3.551 20 0 CHADMN CC[C@H](NCc1n[nH]c(C(C)C)n1)c1csc(C)c1 ZINC000646127959 1129524241 /nfs/dbraw/zinc/52/42/41/1129524241.db2.gz YOZDEOCBFSQFPV-LBPRGKRZSA-N 0 1 278.425 3.539 20 0 CHADMN C[C@H]1C[N@@H+](C[C@H]2CCC3(CCCC3)O2)CC2(CCCC2)O1 ZINC000646135667 1129525126 /nfs/dbraw/zinc/52/51/26/1129525126.db2.gz WLMQRNSEHMZWKV-JKSUJKDBSA-N 0 1 293.451 3.512 20 0 CHADMN Cc1ccc(C2(NCc3ccc(C)cn3)CCC2)cc1 ZINC000646130854 1129525667 /nfs/dbraw/zinc/52/56/67/1129525667.db2.gz NDPUXDANUWMBMF-UHFFFAOYSA-N 0 1 266.388 3.867 20 0 CHADMN CCOc1ccc(CNC2(c3ccc(C)cc3)CCC2)nc1 ZINC000646131387 1129525724 /nfs/dbraw/zinc/52/57/24/1129525724.db2.gz PZLUZMPKFABWGW-UHFFFAOYSA-N 0 1 296.414 3.958 20 0 CHADMN C(c1nnc(C2CC2)s1)N1CCCC[C@H]1C1CCC1 ZINC000646140021 1129526713 /nfs/dbraw/zinc/52/67/13/1129526713.db2.gz OFJWPFGVMJCGHZ-ZDUSSCGKSA-N 0 1 277.437 3.570 20 0 CHADMN Cc1ncc2c(n1)CCC[C@@H]2N[C@@H](C)c1cccc(F)c1 ZINC000743477747 1129526888 /nfs/dbraw/zinc/52/68/88/1129526888.db2.gz UWCMHLNAWDXQIU-ZBEGNZNMSA-N 0 1 285.366 3.652 20 0 CHADMN C[C@H](CN1C[C@]2(CCCO2)[C@@H]1C1CC1)c1ccc(F)cc1 ZINC000646295664 1129532125 /nfs/dbraw/zinc/53/21/25/1129532125.db2.gz NSUZUKGEIUBPJY-JEBQAFNWSA-N 0 1 289.394 3.573 20 0 CHADMN COc1cc(-c2cccc(CN(C)C)c2F)ccc1F ZINC001241420215 1129537719 /nfs/dbraw/zinc/53/77/19/1129537719.db2.gz CPCVYHUYBBXPMR-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2F)N(C/C=C\Cl)C1 ZINC000743856774 1129541071 /nfs/dbraw/zinc/54/10/71/1129541071.db2.gz NQSAOZWOODXVEQ-QDDUCLRZSA-N 0 1 253.748 3.961 20 0 CHADMN CC(C)(C)c1cnc(CN2CCC3(CCCC3)C2)o1 ZINC000743863375 1129543265 /nfs/dbraw/zinc/54/32/65/1129543265.db2.gz HVCVLDMANAAVDS-UHFFFAOYSA-N 0 1 262.397 3.738 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)NC(C)(C)C(C)(C)C)o1 ZINC000647094366 1129550304 /nfs/dbraw/zinc/55/03/04/1129550304.db2.gz ASOVZGMWXWHZPO-UHFFFAOYSA-N 0 1 294.439 3.676 20 0 CHADMN CC(C)=C[C@@H]1[C@H](c2nc(C3(N)CCCC3)no2)C1(C)C ZINC000647137781 1129551714 /nfs/dbraw/zinc/55/17/14/1129551714.db2.gz UAQJIRSNWYALIS-VXGBXAGGSA-N 0 1 275.396 3.503 20 0 CHADMN CC(C)[C@H](Cc1nc(C2(N)CCCC2)no1)c1ccccc1 ZINC000647137348 1129551737 /nfs/dbraw/zinc/55/17/37/1129551737.db2.gz XNDKXZSWCRQLGV-HNNXBMFYSA-N 0 1 299.418 3.780 20 0 CHADMN CC(C)c1ccc([C@H](C)Cc2nc([C@@H]3CCCN3)no2)cc1 ZINC000647148997 1129551920 /nfs/dbraw/zinc/55/19/20/1129551920.db2.gz BBISBMGKTAMGEB-CJNGLKHVSA-N 0 1 299.418 3.964 20 0 CHADMN C1CN[C@H](c2noc([C@@H]3CCC[C@H]4CCCC[C@@H]43)n2)C1 ZINC000647145520 1129551994 /nfs/dbraw/zinc/55/19/94/1129551994.db2.gz YAZIGYZIIGWOLO-RQJABVFESA-N 0 1 275.396 3.568 20 0 CHADMN CC(C)Cc1ccc(/C=C/c2nc([C@@H]3CCCN3)no2)cc1 ZINC000647147227 1129552012 /nfs/dbraw/zinc/55/20/12/1129552012.db2.gz NOZCOEYZAQJMNU-SCOAYWHSSA-N 0 1 297.402 3.863 20 0 CHADMN CC(C)=CCOc1cccc(-c2nc([C@H]3CCCN3)no2)c1 ZINC000647148303 1129552058 /nfs/dbraw/zinc/55/20/58/1129552058.db2.gz LNISFKVVZCNWKD-OAHLLOKOSA-N 0 1 299.374 3.506 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@H]2Cc1nc([C@@H]2CCCN2)no1 ZINC000647146091 1129552122 /nfs/dbraw/zinc/55/21/22/1129552122.db2.gz MRJXUEHCERAGFD-IPYPFGDCSA-N 0 1 297.402 3.636 20 0 CHADMN CC(C)CC(CC(C)C)c1nc([C@@H]2CCCN2)no1 ZINC000647145503 1129552253 /nfs/dbraw/zinc/55/22/53/1129552253.db2.gz XHYZTJIOHMABEA-ZDUSSCGKSA-N 0 1 265.401 3.670 20 0 CHADMN CCOC(=O)c1cc2ccc(-c3ccccc3F)[nH]c-2n1 ZINC001239551930 1131381724 /nfs/dbraw/zinc/38/17/24/1131381724.db2.gz DCDINYRAGQOZQM-UHFFFAOYSA-N 0 1 284.290 3.546 20 0 CHADMN CC[C@@H](CC1CCCCC1)c1nc([C@@H]2CCCN2)no1 ZINC000647149314 1129552666 /nfs/dbraw/zinc/55/26/66/1129552666.db2.gz JPHANWDDXWVMAE-KBPBESRZSA-N 0 1 277.412 3.958 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1N[C@H]1CO[C@@H](C)C1 ZINC000647210686 1129556577 /nfs/dbraw/zinc/55/65/77/1129556577.db2.gz UJVUXUBLXFZRDP-JKSUJKDBSA-N 0 1 288.435 3.965 20 0 CHADMN CCc1ccc(CNC2(c3ccccc3C)CC2)o1 ZINC000647224423 1129558117 /nfs/dbraw/zinc/55/81/17/1129558117.db2.gz HAXZMXCXDQUXNJ-UHFFFAOYSA-N 0 1 255.361 3.929 20 0 CHADMN CCCn1cc(CNC2(c3cccc(F)c3)CCC2)cn1 ZINC000647233365 1129558849 /nfs/dbraw/zinc/55/88/49/1129558849.db2.gz MEBRGSFGYGKAQS-UHFFFAOYSA-N 0 1 287.382 3.601 20 0 CHADMN COc1ccccc1C1(NCc2ccc(F)c(C)c2)CC1 ZINC000647233008 1129558858 /nfs/dbraw/zinc/55/88/58/1129558858.db2.gz NSRUBXFTSIAFQP-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN OCC[C@H](NCc1ccccc1C1CC1)c1ccccc1F ZINC000647249898 1129560341 /nfs/dbraw/zinc/56/03/41/1129560341.db2.gz UHZCKMKJZCOPOI-IBGZPJMESA-N 0 1 299.389 3.916 20 0 CHADMN COc1ccc([C@@H](CC(C)C)NCc2cc(C)ncn2)cc1 ZINC000647295666 1129565573 /nfs/dbraw/zinc/56/55/73/1129565573.db2.gz RIDGGKNZGGOZIR-GOSISDBHSA-N 0 1 299.418 3.671 20 0 CHADMN Cn1ncc2c1CCC[C@H]2NC1(c2ccccc2F)CCC1 ZINC000647333030 1129570552 /nfs/dbraw/zinc/57/05/52/1129570552.db2.gz JWRKJMQEZXCNKX-MRXNPFEDSA-N 0 1 299.393 3.606 20 0 CHADMN C[C@@H](NC1(c2cccc(Cl)c2)CCC1)c1cnn(C)c1 ZINC000647349378 1129573663 /nfs/dbraw/zinc/57/36/63/1129573663.db2.gz MWRKOHQGDDZAEB-GFCCVEGCSA-N 0 1 289.810 3.804 20 0 CHADMN CC[C@H](NC1(c2ccc(C)cc2)CCC1)c1ccn(C)n1 ZINC000647352754 1129574114 /nfs/dbraw/zinc/57/41/14/1129574114.db2.gz NQCAZHUYIAJBHX-INIZCTEOSA-N 0 1 283.419 3.849 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1Cn1c2ccccc2n(C)c1=S ZINC000744442274 1129577782 /nfs/dbraw/zinc/57/77/82/1129577782.db2.gz BEVMGVHCLROTJJ-CHWSQXEVSA-N 0 1 289.448 3.787 20 0 CHADMN CN1CCC=C(c2cc(F)cc(N3CCCCC3)c2)C1 ZINC001241572214 1129584274 /nfs/dbraw/zinc/58/42/74/1129584274.db2.gz TYBFCIAPTBQJLP-UHFFFAOYSA-N 0 1 274.383 3.535 20 0 CHADMN Cc1ccc(-c2nn(C)cc2CN(C)Cc2ccoc2C)o1 ZINC000648004035 1129592311 /nfs/dbraw/zinc/59/23/11/1129592311.db2.gz MVRSHCJMRXYZRW-UHFFFAOYSA-N 0 1 299.374 3.522 20 0 CHADMN CC1(CC(F)F)CN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000648058712 1129593908 /nfs/dbraw/zinc/59/39/08/1129593908.db2.gz ZKNBOQNGUMTHQU-UHFFFAOYSA-N 0 1 291.345 3.554 20 0 CHADMN Cc1ccc(CN(Cc2ccncc2C)CC2CC2)cn1 ZINC000648058165 1129595367 /nfs/dbraw/zinc/59/53/67/1129595367.db2.gz VCJJJJYQMRAOMX-UHFFFAOYSA-N 0 1 281.403 3.506 20 0 CHADMN Cc1n[nH]c(C)c1CN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000648074224 1129597037 /nfs/dbraw/zinc/59/70/37/1129597037.db2.gz DJIQUKLSBUKVDA-GOSISDBHSA-N 0 1 293.414 3.920 20 0 CHADMN Cc1csc([C@H](C)NCCSC(C)(C)C)n1 ZINC000304445508 1129597913 /nfs/dbraw/zinc/59/79/13/1129597913.db2.gz UMHSYBFWZFEZLP-JTQLQIEISA-N 0 1 258.456 3.634 20 0 CHADMN COCc1cccc(-c2ccc3n[nH]c(C)c3c2)c1 ZINC001241669604 1129601743 /nfs/dbraw/zinc/60/17/43/1129601743.db2.gz TYGQIWMAPIDWJL-UHFFFAOYSA-N 0 1 252.317 3.685 20 0 CHADMN CCN(CCC(F)(F)F)Cc1csc(C)c1 ZINC000648365481 1129603570 /nfs/dbraw/zinc/60/35/70/1129603570.db2.gz XCAHBZDFIBKOBQ-UHFFFAOYSA-N 0 1 251.317 3.831 20 0 CHADMN CC(C)(NC1CCC(OC2CCCC2)CC1)C(F)F ZINC000648563050 1129614216 /nfs/dbraw/zinc/61/42/16/1129614216.db2.gz KNEDYIRXJUXDFF-UHFFFAOYSA-N 0 1 275.383 3.890 20 0 CHADMN Cc1nc2ccc(Nc3cn(CC4CCC4)cn3)cc2[nH]1 ZINC001213073189 1129622946 /nfs/dbraw/zinc/62/29/46/1129622946.db2.gz IQICHOZJGUHIBO-UHFFFAOYSA-N 0 1 281.363 3.612 20 0 CHADMN CCc1cc(CN[C@@H](CC)c2cccc(Cl)c2)[nH]n1 ZINC000746046854 1129623394 /nfs/dbraw/zinc/62/33/94/1129623394.db2.gz DUEMQIKTGXGUAB-HNNXBMFYSA-N 0 1 277.799 3.866 20 0 CHADMN C[C@@H](NC[C@H](O)c1cc2ccccc2s1)c1ccco1 ZINC000305192084 1129631399 /nfs/dbraw/zinc/63/13/99/1129631399.db2.gz YKHCFGLEIBUAOF-YPMHNXCESA-N 0 1 287.384 3.879 20 0 CHADMN Fc1ccc(CN2CC[C@H]3CCC[C@H]32)c(Br)c1 ZINC000378763015 1129634497 /nfs/dbraw/zinc/63/44/97/1129634497.db2.gz KJBWLVIJNGGMCD-QMTHXVAHSA-N 0 1 298.199 3.963 20 0 CHADMN C[C@@H](c1nc(CCc2ccccc2)no1)N1[C@H](C)CC[C@H]1C ZINC000191172893 1129640838 /nfs/dbraw/zinc/64/08/38/1129640838.db2.gz KBUARMJOZWUVJX-KFWWJZLASA-N 0 1 299.418 3.789 20 0 CHADMN Cn1cnc(CN[C@@H](CC(C)(C)C)c2ccccc2)c1 ZINC000380657571 1129640923 /nfs/dbraw/zinc/64/09/23/1129640923.db2.gz RYRIADUPZCYQCX-INIZCTEOSA-N 0 1 271.408 3.687 20 0 CHADMN CCc1cnc(CNCc2cccc3ncccc23)s1 ZINC000720505876 1129642069 /nfs/dbraw/zinc/64/20/69/1129642069.db2.gz CFWTWYLPOJIOBR-UHFFFAOYSA-N 0 1 283.400 3.544 20 0 CHADMN c1nc(CNCCc2ccc(-c3ccccc3)cc2)co1 ZINC000192326712 1129642510 /nfs/dbraw/zinc/64/25/10/1129642510.db2.gz RAHNYXGPFQMEGA-UHFFFAOYSA-N 0 1 278.355 3.674 20 0 CHADMN Cc1cc(F)c2[nH]ccc2c1-n1c(N)nc2ccccc21 ZINC001212971613 1129643749 /nfs/dbraw/zinc/64/37/49/1129643749.db2.gz BBCHSJZUTRNMIK-UHFFFAOYSA-N 0 1 280.306 3.537 20 0 CHADMN CCCC[C@H]([NH2+][C@H](C)c1nc(C)cc(=O)[n-]1)C1CCC1 ZINC000192777864 1129643871 /nfs/dbraw/zinc/64/38/71/1129643871.db2.gz UQMTXCCHGICCSV-OCCSQVGLSA-N 0 1 277.412 3.500 20 0 CHADMN COc1cccc(-c2ccc(CN(C)C)c(F)c2)c1 ZINC000649438187 1129648691 /nfs/dbraw/zinc/64/86/91/1129648691.db2.gz XUKMHNOEXYVVCR-UHFFFAOYSA-N 0 1 259.324 3.563 20 0 CHADMN CC(C)Oc1cncc(-c2ccc(CN(C)C)c(F)c2)c1 ZINC000649437774 1129648767 /nfs/dbraw/zinc/64/87/67/1129648767.db2.gz DRYMRIOFIYLDSH-UHFFFAOYSA-N 0 1 288.366 3.737 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1Cc1cc2n(n1)CCCC2 ZINC000649490106 1129653367 /nfs/dbraw/zinc/65/33/67/1129653367.db2.gz TUVLKBKLCYZJHW-IBGZPJMESA-N 0 1 295.430 3.865 20 0 CHADMN c1c(CN2CCCCC[C@@H]2c2ccccc2)nn2c1CCC2 ZINC000649489895 1129653712 /nfs/dbraw/zinc/65/37/12/1129653712.db2.gz LGOFBXXAWNROEF-LJQANCHMSA-N 0 1 295.430 3.947 20 0 CHADMN Cc1ccc(C[C@H](C)N(C)Cc2cc3n(n2)CCCC3)cc1 ZINC000649537980 1129655599 /nfs/dbraw/zinc/65/55/99/1129655599.db2.gz XRSHVJCPZZCVCA-INIZCTEOSA-N 0 1 297.446 3.591 20 0 CHADMN CCOc1ccc(-c2cc3nc[nH]c3c(C)c2)cc1 ZINC001239563395 1131388693 /nfs/dbraw/zinc/38/86/93/1131388693.db2.gz DFACCJYSGOQBGR-UHFFFAOYSA-N 0 1 252.317 3.937 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1cnc(C(F)(F)F)nc1 ZINC000649573699 1129659257 /nfs/dbraw/zinc/65/92/57/1129659257.db2.gz MWMPXHRKECZLPY-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1nc2ccc(C)cc2[nH]1 ZINC000766377178 1129661779 /nfs/dbraw/zinc/66/17/79/1129661779.db2.gz HGCUKMFDEOQTQJ-INIZCTEOSA-N 0 1 291.398 3.957 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1nc2cc(C)ccc2[nH]1 ZINC000766377178 1129661781 /nfs/dbraw/zinc/66/17/81/1129661781.db2.gz HGCUKMFDEOQTQJ-INIZCTEOSA-N 0 1 291.398 3.957 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1nc2ccc(C)cc2[nH]1 ZINC000766377178 1129661784 /nfs/dbraw/zinc/66/17/84/1129661784.db2.gz HGCUKMFDEOQTQJ-INIZCTEOSA-N 0 1 291.398 3.957 20 0 CHADMN CC(C)N(Cc1cc2n(n1)CCC2)[C@@H](C)c1ccccc1 ZINC000649616936 1129662927 /nfs/dbraw/zinc/66/29/27/1129662927.db2.gz UPNWALMCPNIGNW-HNNXBMFYSA-N 0 1 283.419 3.801 20 0 CHADMN Fc1cccc(-c2nc(CN3CCC34CCCC4)co2)c1 ZINC000649656042 1129666949 /nfs/dbraw/zinc/66/69/49/1129666949.db2.gz ZSVUVWWBNCENOT-UHFFFAOYSA-N 0 1 286.350 3.999 20 0 CHADMN Cc1cnc([C@@H](C)N2CC[C@@](C)(c3cccc(F)c3)C2)cn1 ZINC000649661621 1129668037 /nfs/dbraw/zinc/66/80/37/1129668037.db2.gz GXSMNAUWAWPYRD-RDTXWAMCSA-N 0 1 299.393 3.649 20 0 CHADMN C[C@]1(Cc2cccc(Cl)c2)CCCN1Cc1c[nH]cn1 ZINC000649685010 1129670244 /nfs/dbraw/zinc/67/02/44/1129670244.db2.gz KTIKKXNXKGZPRR-MRXNPFEDSA-N 0 1 289.810 3.660 20 0 CHADMN CC(C)O[C@H]1CCCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000649699058 1129671759 /nfs/dbraw/zinc/67/17/59/1129671759.db2.gz IFDFXVAMNWQWPE-OCCSQVGLSA-N 0 1 283.362 3.915 20 0 CHADMN CC(C)O[C@H]1CCCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000649699057 1129672127 /nfs/dbraw/zinc/67/21/27/1129672127.db2.gz IFDFXVAMNWQWPE-JSGCOSHPSA-N 0 1 283.362 3.915 20 0 CHADMN CCC[C@@H](C)NC(=O)[C@H](C)N[C@@H](CC)c1ccccc1F ZINC000649738654 1129673701 /nfs/dbraw/zinc/67/37/01/1129673701.db2.gz PVCILCDLFVOPDB-WWGRRREGSA-N 0 1 294.414 3.560 20 0 CHADMN CC[C@H](NCc1cn(C)nc1C(F)F)c1ccccc1F ZINC000649740536 1129674908 /nfs/dbraw/zinc/67/49/08/1129674908.db2.gz DBPGYZRLIAECOE-ZDUSSCGKSA-N 0 1 297.324 3.738 20 0 CHADMN FC1(F)C[C@@]12CCN(Cc1cc(Cl)cc3c1OCC3)C2 ZINC000649907443 1129686552 /nfs/dbraw/zinc/68/65/52/1129686552.db2.gz ROTBGYAZERYSED-CQSZACIVSA-N 0 1 299.748 3.506 20 0 CHADMN CCC[C@H]1CCCCN1Cc1cccnc1Br ZINC001137798204 1131417997 /nfs/dbraw/zinc/41/79/97/1131417997.db2.gz XYBCAGBPYISFCT-ZDUSSCGKSA-N 0 1 297.240 3.999 20 0 CHADMN CCc1ccc(-c2noc([C@@H](C)NCC3CC(C)C3)n2)cc1 ZINC001169057368 1129693151 /nfs/dbraw/zinc/69/31/51/1129693151.db2.gz YTBSVGSGPUBHEZ-JVWICGRDSA-N 0 1 299.418 3.996 20 0 CHADMN C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[C@H](C)C(C)(C)C1 ZINC001169091514 1129699907 /nfs/dbraw/zinc/69/99/07/1129699907.db2.gz PAFUESSJCOBKPX-STQMWFEESA-N 0 1 292.398 3.521 20 0 CHADMN CCCC[C@H](CCC)N(C)CC(=O)OC(C)(C)C ZINC001258760290 1129700169 /nfs/dbraw/zinc/70/01/69/1129700169.db2.gz NFNRPXGYECAXRZ-ZDUSSCGKSA-N 0 1 257.418 3.619 20 0 CHADMN C[C@H](c1cccs1)N(C)C[C@@H]1CC1(Cl)Cl ZINC000838561990 1129709750 /nfs/dbraw/zinc/70/97/50/1129709750.db2.gz RKNDTYKKZUDEQM-BDAKNGLRSA-N 0 1 264.221 3.935 20 0 CHADMN Cc1ccnc(CCNc2cc(OC(C)(C)C)ccn2)c1 ZINC001169323403 1129717368 /nfs/dbraw/zinc/71/73/68/1129717368.db2.gz JKMJBESRENYWTC-UHFFFAOYSA-N 0 1 285.391 3.617 20 0 CHADMN C[C@H]1C[C@@H](Nc2ccnc3[nH]cnc32)c2ccccc21 ZINC001169379901 1129723261 /nfs/dbraw/zinc/72/32/61/1129723261.db2.gz OMDOYKMIIAFDPA-IINYFYTJSA-N 0 1 264.332 3.618 20 0 CHADMN CCOC(=O)[C@@H](CC)N(CCCCC(F)(F)F)C1CC1 ZINC001169464058 1129729694 /nfs/dbraw/zinc/72/96/94/1129729694.db2.gz XXOYUAAWTTWTRG-GFCCVEGCSA-N 0 1 295.345 3.525 20 0 CHADMN CC(C)(C)[C@@H]1C[C@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000866995513 1129729755 /nfs/dbraw/zinc/72/97/55/1129729755.db2.gz HKERKHVJXYWQFH-CHWSQXEVSA-N 0 1 282.347 3.534 20 0 CHADMN Cc1ccc(CN(C)C2CC(C)C2)c(Br)c1 ZINC001137803154 1131417360 /nfs/dbraw/zinc/41/73/60/1131417360.db2.gz VOKDSBMGVXQKMH-UHFFFAOYSA-N 0 1 282.225 3.988 20 0 CHADMN CC[C@H](N[C@H]1CCOc2cc(OC)ccc21)c1ccncc1 ZINC000651237082 1129734393 /nfs/dbraw/zinc/73/43/93/1129734393.db2.gz MSVPINUSSSPCIG-IRXDYDNUSA-N 0 1 298.386 3.655 20 0 CHADMN C[C@@H](COCC1CC1)Nc1ccnc2cc(F)ccc21 ZINC000651457824 1129739341 /nfs/dbraw/zinc/73/93/41/1129739341.db2.gz MLRPOEBCLPGVQL-NSHDSACASA-N 0 1 274.339 3.601 20 0 CHADMN Cc1cc(N(C)C)ncc1NCCc1coc2ccccc12 ZINC001169600620 1129739551 /nfs/dbraw/zinc/73/95/51/1129739551.db2.gz SARSQSBQBLHXCS-UHFFFAOYSA-N 0 1 295.386 3.857 20 0 CHADMN OCC[C@H](NCc1cccc2c1CCC2)c1ccccc1F ZINC000651845475 1129750289 /nfs/dbraw/zinc/75/02/89/1129750289.db2.gz NGLZGANOUKABHA-IBGZPJMESA-N 0 1 299.389 3.528 20 0 CHADMN Cc1cc(F)c(CN2CCC([C@H](C)CO)CC2)c(Cl)c1 ZINC000651957672 1129752746 /nfs/dbraw/zinc/75/27/46/1129752746.db2.gz HKIBBWVKFQJBOB-GFCCVEGCSA-N 0 1 299.817 3.628 20 0 CHADMN COCC[C@@H]1CCCCN1Cc1cc(Cl)ccc1F ZINC001206020331 1129754492 /nfs/dbraw/zinc/75/44/92/1129754492.db2.gz OXUOAJBRRBFZAD-AWEZNQCLSA-N 0 1 285.790 3.870 20 0 CHADMN Cc1ccc2cc(CN3C[C@H](C)OCC34CCC4)ccc2n1 ZINC000651974329 1129754603 /nfs/dbraw/zinc/75/46/03/1129754603.db2.gz AOYNMYCGRXHWID-HNNXBMFYSA-N 0 1 296.414 3.687 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1c(C)nn(C)c1Cl)C1CC1 ZINC000104967269 1129757312 /nfs/dbraw/zinc/75/73/12/1129757312.db2.gz CXNWJHCWJVXMJC-JQWIXIFHSA-N 0 1 283.847 3.781 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)o1 ZINC000652062163 1129757449 /nfs/dbraw/zinc/75/74/49/1129757449.db2.gz AWDWNJBWERXGOF-MPKXVKKWSA-N 0 1 267.319 3.634 20 0 CHADMN CC[C@H](N[C@@H](c1ccccc1F)[C@H](C)O)c1ccccc1 ZINC000652230606 1129760860 /nfs/dbraw/zinc/76/08/60/1129760860.db2.gz QQVAXYXJKUNUAG-DOPJRALCSA-N 0 1 287.378 3.989 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H]2C[C@H]2CC(C)(C)C)cs1 ZINC000652241068 1129760923 /nfs/dbraw/zinc/76/09/23/1129760923.db2.gz VCFAOUGKYREMPZ-ADEWGFFLSA-N 0 1 252.427 3.927 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H]1N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000652241035 1129761239 /nfs/dbraw/zinc/76/12/39/1129761239.db2.gz TXDVEGYCGAQKMH-UCLAIMLFSA-N 0 1 295.430 3.735 20 0 CHADMN C[N@@H+](CCC1CCCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000652473714 1129765603 /nfs/dbraw/zinc/76/56/03/1129765603.db2.gz OAAIQECKGKVQBY-QGZVFWFLSA-N 0 1 289.419 3.585 20 0 CHADMN O=C([O-])c1cccc2c1C[N@@H+](CCC1=CCCCC1)CC2 ZINC000652487018 1129765773 /nfs/dbraw/zinc/76/57/73/1129765773.db2.gz MMONFUMYFBLQTO-UHFFFAOYSA-N 0 1 285.387 3.633 20 0 CHADMN CCN1CCCC[C@H]1C(=O)Nc1ccc(C)c(SC)c1 ZINC000653010819 1129775850 /nfs/dbraw/zinc/77/58/50/1129775850.db2.gz LYAWPCHTQJUNMS-AWEZNQCLSA-N 0 1 292.448 3.530 20 0 CHADMN CSc1cc(NC(=O)c2cn[nH]c2C(C)C)ccc1C ZINC000653042575 1129776228 /nfs/dbraw/zinc/77/62/28/1129776228.db2.gz UFNZZDFWGAFIDW-UHFFFAOYSA-N 0 1 289.404 3.816 20 0 CHADMN CCCC[C@H](CC)CN(CCO)Cc1cccnc1Cl ZINC000796564137 1129779742 /nfs/dbraw/zinc/77/97/42/1129779742.db2.gz DQGCNGROXKLCHE-AWEZNQCLSA-N 0 1 298.858 3.746 20 0 CHADMN CC1(C)C[C@H](Nc2ccc3cnccc3c2)CCO1 ZINC000653466079 1129780392 /nfs/dbraw/zinc/78/03/92/1129780392.db2.gz XSHTWUNJFMBMBT-OAHLLOKOSA-N 0 1 256.349 3.604 20 0 CHADMN FC(F)(F)[C@H]1CCCN(CCc2noc3ccccc32)C1 ZINC000653479377 1129781180 /nfs/dbraw/zinc/78/11/80/1129781180.db2.gz QLUUTFBGDFYQSB-NSHDSACASA-N 0 1 298.308 3.645 20 0 CHADMN CC1(c2cccc(Cl)c2)CCN(CCF)CC1 ZINC000796576891 1129785214 /nfs/dbraw/zinc/78/52/14/1129785214.db2.gz WPLMHVZEIKSCHQ-UHFFFAOYSA-N 0 1 255.764 3.663 20 0 CHADMN Cc1nc(C2(NCCC(C)(C)C3CC3)CCCCC2)no1 ZINC000653574112 1129786060 /nfs/dbraw/zinc/78/60/60/1129786060.db2.gz CZDCTGUSSIKZGM-UHFFFAOYSA-N 0 1 291.439 3.953 20 0 CHADMN Cc1cc(-c2cccc(F)c2O)nc(C(F)(F)F)c1 ZINC001242349776 1129788994 /nfs/dbraw/zinc/78/89/94/1129788994.db2.gz RYRHQHRHCASPEU-UHFFFAOYSA-N 0 1 271.213 3.921 20 0 CHADMN COc1ccc(CNCc2cc(C)oc2C)c(C)c1 ZINC000767381646 1129791122 /nfs/dbraw/zinc/79/11/22/1129791122.db2.gz HRNZVDZLMLXWDK-UHFFFAOYSA-N 0 1 259.349 3.503 20 0 CHADMN CC[C@@H](N[C@@H](C)C(=O)NC(C)(C)CC)c1ccccc1F ZINC000653792619 1129795152 /nfs/dbraw/zinc/79/51/52/1129795152.db2.gz OOEBNPCQIJOKJT-SWLSCSKDSA-N 0 1 294.414 3.560 20 0 CHADMN C[NH+](C)Cc1cccc(-c2cccc(Cl)c2[O-])c1 ZINC001242364102 1129797601 /nfs/dbraw/zinc/79/76/01/1129797601.db2.gz BTNPMODMCYZLQD-UHFFFAOYSA-N 0 1 261.752 3.774 20 0 CHADMN CCCCc1nc(CN[C@H](CC)[C@H]2CCCCO2)cs1 ZINC000653878968 1129799324 /nfs/dbraw/zinc/79/93/24/1129799324.db2.gz IOTVAJAELPDZGM-HUUCEWRRSA-N 0 1 296.480 3.923 20 0 CHADMN CC(C)C[C@H](C)N[C@@H](Cc1ccccc1)c1ncco1 ZINC000653911766 1129801102 /nfs/dbraw/zinc/80/11/02/1129801102.db2.gz AAUMNHIPAAFLTM-HOCLYGCPSA-N 0 1 272.392 3.983 20 0 CHADMN C[C@@H](c1ccncc1)N1C[C@H](C)OC2(CCCCC2)C1 ZINC000653906261 1129801318 /nfs/dbraw/zinc/80/13/18/1129801318.db2.gz RDJVFNASLZVYEC-GJZGRUSLSA-N 0 1 274.408 3.566 20 0 CHADMN CC(C)(C)CCN[C@H](Cc1ccccc1)c1ncco1 ZINC000653911278 1129801434 /nfs/dbraw/zinc/80/14/34/1129801434.db2.gz BLWSWTVYRZRNPP-OAHLLOKOSA-N 0 1 272.392 3.984 20 0 CHADMN CC/C=C\CCN[C@H](Cc1ccccc1)c1ncco1 ZINC000653913574 1129802523 /nfs/dbraw/zinc/80/25/23/1129802523.db2.gz VGYTWDIECUOVJO-MJSXRHKHSA-N 0 1 270.376 3.904 20 0 CHADMN C[C@@]1(CN2CCc3c(F)cccc3C2)CC1(Cl)Cl ZINC000828498853 1129808215 /nfs/dbraw/zinc/80/82/15/1129808215.db2.gz GFIGNHNUEXNMGD-ZDUSSCGKSA-N 0 1 288.193 3.768 20 0 CHADMN c1cc(CNCc2ccc(-c3cccnc3)cc2)co1 ZINC000742710080 1129827993 /nfs/dbraw/zinc/82/79/93/1129827993.db2.gz GVJRANSYPBLZEX-UHFFFAOYSA-N 0 1 264.328 3.631 20 0 CHADMN CC(C)C(C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1)C(C)C ZINC000380391004 1129831655 /nfs/dbraw/zinc/83/16/55/1129831655.db2.gz YURLUTBXQSYVEU-CQSZACIVSA-N 0 1 283.456 3.737 20 0 CHADMN CCCCN(CCCC)Cc1coc(C2CC2)n1 ZINC000768138477 1129834624 /nfs/dbraw/zinc/83/46/24/1129834624.db2.gz XBRKSDHKPKQDIH-UHFFFAOYSA-N 0 1 250.386 3.954 20 0 CHADMN CCCCn1nc(C)c(CN2CCC[C@@H](C)C2)c1Cl ZINC000768137557 1129835264 /nfs/dbraw/zinc/83/52/64/1129835264.db2.gz IMNFEJWUZQGUJT-GFCCVEGCSA-N 0 1 283.847 3.877 20 0 CHADMN CC(C)n1cc(CN2Cc3ccccc3[C@H](C)C2)cn1 ZINC000768196537 1129842668 /nfs/dbraw/zinc/84/26/68/1129842668.db2.gz QWCMEIPJSBVHPW-CQSZACIVSA-N 0 1 269.392 3.583 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C)c(F)c2)cc1F ZINC000768198410 1129843922 /nfs/dbraw/zinc/84/39/22/1129843922.db2.gz AKPQMSHKHIYPFB-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN CCN(C)c1ccccc1CN[C@H](C)c1cncc(C)c1 ZINC000768220069 1129844275 /nfs/dbraw/zinc/84/42/75/1129844275.db2.gz ZRXJFFRHMBOWOX-OAHLLOKOSA-N 0 1 283.419 3.697 20 0 CHADMN c1oc(C2CC2)nc1CN1CCC[C@H]1Cc1ccccc1 ZINC000768232179 1129845038 /nfs/dbraw/zinc/84/50/38/1129845038.db2.gz YSFHWJQRSQOTQB-KRWDZBQOSA-N 0 1 282.387 3.759 20 0 CHADMN CC[C@H](C)c1ccc(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000768375546 1129854735 /nfs/dbraw/zinc/85/47/35/1129854735.db2.gz IZCZKYHXTBFBOG-QWHCGFSZSA-N 0 1 299.418 3.593 20 0 CHADMN Cc1ccc2c(ccc(C)c2-c2nc([C@H]3CCCN3)no2)c1 ZINC000900010617 1129856735 /nfs/dbraw/zinc/85/67/35/1129856735.db2.gz UWIHAFBDUABZCC-OAHLLOKOSA-N 0 1 293.370 3.931 20 0 CHADMN CC(C)CN(Cc1c(Cl)nc2ccccn21)C1CC1 ZINC000768531807 1129860966 /nfs/dbraw/zinc/86/09/66/1129860966.db2.gz CQACSTMVBNTLNT-UHFFFAOYSA-N 0 1 277.799 3.608 20 0 CHADMN Cc1cc(Cl)nc(CNC/C=C/c2ccccc2)c1 ZINC000800284180 1129864319 /nfs/dbraw/zinc/86/43/19/1129864319.db2.gz ZNXYUWHYJSCCFD-VMPITWQZSA-N 0 1 272.779 3.846 20 0 CHADMN Clc1ccc2c(c1)C[C@@H](NCc1nc3ccccc3o1)C2 ZINC000800399182 1129869974 /nfs/dbraw/zinc/86/99/74/1129869974.db2.gz ZKIKGTNGLYPKBN-AWEZNQCLSA-N 0 1 298.773 3.738 20 0 CHADMN Cc1cc(F)cc2c1CN(C[C@@H]1CC1(Cl)Cl)CC2 ZINC000800470856 1129875098 /nfs/dbraw/zinc/87/50/98/1129875098.db2.gz KOHVCEZGXIBOHL-NSHDSACASA-N 0 1 288.193 3.686 20 0 CHADMN Cc1cc(F)cc2c1CN(C[C@H]1CC1(Cl)Cl)CC2 ZINC000800470855 1129875465 /nfs/dbraw/zinc/87/54/65/1129875465.db2.gz KOHVCEZGXIBOHL-LLVKDONJSA-N 0 1 288.193 3.686 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2cc(C)n(C)n2)s1 ZINC000800476566 1129876866 /nfs/dbraw/zinc/87/68/66/1129876866.db2.gz LHRZFSWERNRSGQ-NWDGAFQWSA-N 0 1 263.410 3.510 20 0 CHADMN CCc1cccc(C)c1NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000900306497 1129877163 /nfs/dbraw/zinc/87/71/63/1129877163.db2.gz YRCPRBXXJBWQQS-ZBEGNZNMSA-N 0 1 297.402 3.585 20 0 CHADMN Cc1cc([C@H](C)NCc2n[nH]c(-c3ccccc3)n2)oc1C ZINC000800487340 1129878120 /nfs/dbraw/zinc/87/81/20/1129878120.db2.gz DPIUSJPYMDJTGS-LBPRGKRZSA-N 0 1 296.374 3.532 20 0 CHADMN Cc1cc([C@H](C)NCc2nc(-c3ccccc3)n[nH]2)oc1C ZINC000800487340 1129878123 /nfs/dbraw/zinc/87/81/23/1129878123.db2.gz DPIUSJPYMDJTGS-LBPRGKRZSA-N 0 1 296.374 3.532 20 0 CHADMN Cc1cc(Cl)nc(CN[C@H](c2cccnc2)C(C)C)c1 ZINC000800496326 1129880196 /nfs/dbraw/zinc/88/01/96/1129880196.db2.gz VIVZYEYJSJBFOG-INIZCTEOSA-N 0 1 289.810 3.925 20 0 CHADMN Clc1nc2ccccn2c1CN1CCC[C@@H]2CCC[C@H]21 ZINC000769101764 1129889955 /nfs/dbraw/zinc/88/99/55/1129889955.db2.gz GTUVOFAFTLPASQ-QWHCGFSZSA-N 0 1 289.810 3.752 20 0 CHADMN Cc1cc(C)cc([C@@H](O)CNCc2ccsc2Cl)c1 ZINC000800896588 1129896728 /nfs/dbraw/zinc/89/67/28/1129896728.db2.gz NKXRHCWUZJUJFE-AWEZNQCLSA-N 0 1 295.835 3.842 20 0 CHADMN COC(=O)c1nc2ccc(C=Cc3ccccc3)cc2[nH]1 ZINC001239594703 1131405967 /nfs/dbraw/zinc/40/59/67/1131405967.db2.gz VNHJCXFLIHIPQD-BQYQJAHWSA-N 0 1 278.311 3.520 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2C)[nH]1 ZINC000900916158 1129904497 /nfs/dbraw/zinc/90/44/97/1129904497.db2.gz YQJJWVBFNSZXCD-UHFFFAOYSA-N 0 1 297.280 3.606 20 0 CHADMN COc1ccccc1[C@H]1CCN(Cc2coc(C3CC3)n2)C1 ZINC000769472699 1129912340 /nfs/dbraw/zinc/91/23/40/1129912340.db2.gz ILLRLBMBSAXZTI-AWEZNQCLSA-N 0 1 298.386 3.550 20 0 CHADMN Cc1cc(C)c(CC(=O)Nc2c(C)n[nH]c2C(F)F)s1 ZINC000901291262 1129913588 /nfs/dbraw/zinc/91/35/88/1129913588.db2.gz PVHMTLBOBAJWOE-UHFFFAOYSA-N 0 1 299.346 3.515 20 0 CHADMN c1c(CN[C@H]2CCCc3ccccc32)onc1[C@@H]1CCCO1 ZINC000901396877 1129920688 /nfs/dbraw/zinc/92/06/88/1129920688.db2.gz RAMIXDREENJADJ-WMZOPIPTSA-N 0 1 298.386 3.693 20 0 CHADMN CC[N@@H+](CC(=O)[O-])Cc1sc2c(cccc2Cl)c1C ZINC000901423241 1129923546 /nfs/dbraw/zinc/92/35/46/1129923546.db2.gz CEAJORWBIAZXTO-UHFFFAOYSA-N 0 1 297.807 3.770 20 0 CHADMN COC/C(C)=C/CSc1nnc(CCC2CCCC2)[nH]1 ZINC000901445865 1129926270 /nfs/dbraw/zinc/92/62/70/1129926270.db2.gz FQTSJLDPGLWZLM-FMIVXFBMSA-N 0 1 295.452 3.612 20 0 CHADMN COC/C(C)=C/CSc1nc(CCC2CCCC2)n[nH]1 ZINC000901445865 1129926273 /nfs/dbraw/zinc/92/62/73/1129926273.db2.gz FQTSJLDPGLWZLM-FMIVXFBMSA-N 0 1 295.452 3.612 20 0 CHADMN CC(C)(C)c1n[nH]c(SC[C@H]2CCCC3(CCC3)O2)n1 ZINC000901447710 1129926392 /nfs/dbraw/zinc/92/63/92/1129926392.db2.gz PGPJAGRCDRRTEH-LLVKDONJSA-N 0 1 295.452 3.686 20 0 CHADMN CC(C)(C)c1nc(SC[C@H]2CCCC3(CCC3)O2)n[nH]1 ZINC000901447710 1129926395 /nfs/dbraw/zinc/92/63/95/1129926395.db2.gz PGPJAGRCDRRTEH-LLVKDONJSA-N 0 1 295.452 3.686 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCCOC1CCCCC1 ZINC000769874480 1129930035 /nfs/dbraw/zinc/93/00/35/1129930035.db2.gz OBFLHENTGLIJOG-LBPRGKRZSA-N 0 1 280.412 3.545 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1ccc(C)c(F)c1 ZINC000769870585 1129930075 /nfs/dbraw/zinc/93/00/75/1129930075.db2.gz WMNFDBLSVNAMBN-LLVKDONJSA-N 0 1 276.355 3.844 20 0 CHADMN CC1=C(c2ccco2)CN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000801601562 1129932175 /nfs/dbraw/zinc/93/21/75/1129932175.db2.gz ZKMGUIHCEDSEPM-NSHDSACASA-N 0 1 286.202 3.953 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000901541962 1129935431 /nfs/dbraw/zinc/93/54/31/1129935431.db2.gz BVKQNPCQRUWZPP-IJEWVQPXSA-N 0 1 269.429 3.636 20 0 CHADMN C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000901553845 1129935885 /nfs/dbraw/zinc/93/58/85/1129935885.db2.gz QGHODSSTGRAKDT-VMEIHUARSA-N 0 1 287.403 3.667 20 0 CHADMN CC[C@@H](C[N@@H+](CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000901570495 1129937572 /nfs/dbraw/zinc/93/75/72/1129937572.db2.gz YKWZCYNMYWOLQZ-KRWDZBQOSA-N 0 1 297.398 3.767 20 0 CHADMN CCC(CC)C[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000901590257 1129938086 /nfs/dbraw/zinc/93/80/86/1129938086.db2.gz FDHKYWUHICXLAY-UHFFFAOYSA-N 0 1 283.799 3.663 20 0 CHADMN CC(C)c1cccnc1NC(=O)c1c(O)cccc1Cl ZINC000770087512 1129938670 /nfs/dbraw/zinc/93/86/70/1129938670.db2.gz BUQQOGPRIYTKRY-UHFFFAOYSA-N 0 1 290.750 3.816 20 0 CHADMN CN(C)Cc1ccc(-c2cccc(F)c2Cl)nc1 ZINC001242572092 1129939309 /nfs/dbraw/zinc/93/93/09/1129939309.db2.gz JEQBRAXGANANMX-UHFFFAOYSA-N 0 1 264.731 3.603 20 0 CHADMN CC1=CCC[C@@H](C)[C@@H]1C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000901646508 1129940832 /nfs/dbraw/zinc/94/08/32/1129940832.db2.gz PKSJKUZNFSQWSC-CXAGYDPISA-N 0 1 285.387 3.693 20 0 CHADMN CC1=CCC[C@@H](C)[C@H]1C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000901646509 1129940966 /nfs/dbraw/zinc/94/09/66/1129940966.db2.gz PKSJKUZNFSQWSC-DYVFJYSZSA-N 0 1 285.387 3.693 20 0 CHADMN C[C@H](C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC000901671096 1129943223 /nfs/dbraw/zinc/94/32/23/1129943223.db2.gz BJOLOBSGXJYZIO-CQSZACIVSA-N 0 1 295.382 3.547 20 0 CHADMN C[C@H]1CCCC[C@@H]1C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000901671614 1129943318 /nfs/dbraw/zinc/94/33/18/1129943318.db2.gz BPNJODYYQVDKSA-XJKSGUPXSA-N 0 1 287.403 3.569 20 0 CHADMN Cc1ccc([C@H](C)C(=O)Nc2ccc3c(C)[nH]nc3c2)o1 ZINC000770256290 1129943415 /nfs/dbraw/zinc/94/34/15/1129943415.db2.gz BOOQZJUFSRZNST-JTQLQIEISA-N 0 1 283.331 3.515 20 0 CHADMN CC(=CC(=O)Nc1c(C)n[nH]c1C(F)F)c1ccccc1 ZINC000770465228 1129948284 /nfs/dbraw/zinc/94/82/84/1129948284.db2.gz SLEIEXSWCZZHCO-CMDGGOBGSA-N 0 1 291.301 3.698 20 0 CHADMN CN1CCCc2cc(NCc3[nH]nc4ccccc43)ccc21 ZINC000770541282 1129951335 /nfs/dbraw/zinc/95/13/35/1129951335.db2.gz QXGADYCGHYRIAS-UHFFFAOYSA-N 0 1 292.386 3.557 20 0 CHADMN CN(C)Cc1ccc(NCc2cccc3[nH]ccc32)cc1F ZINC000770600019 1129953127 /nfs/dbraw/zinc/95/31/27/1129953127.db2.gz FHLZAASPEPNJIL-UHFFFAOYSA-N 0 1 297.377 3.981 20 0 CHADMN C[C@H]1CN(CCSC(C)(C)C)C[C@@H](c2ccccc2)O1 ZINC000801916560 1129958724 /nfs/dbraw/zinc/95/87/24/1129958724.db2.gz XQCMAVVHSJGBSU-HOCLYGCPSA-N 0 1 293.476 3.980 20 0 CHADMN CC[C@@H]1CCC[C@H](C[N@H+]2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)C1 ZINC000901917864 1129965956 /nfs/dbraw/zinc/96/59/56/1129965956.db2.gz MQANPSKXBABUES-CVYDXHPNSA-N 0 1 293.451 3.780 20 0 CHADMN CC(C)c1ccc(CC[N@H+](CCC(=O)[O-])C(C)C)cc1 ZINC000901978032 1129969324 /nfs/dbraw/zinc/96/93/24/1129969324.db2.gz DHSACTQSMORXOT-UHFFFAOYSA-N 0 1 277.408 3.538 20 0 CHADMN CC[C@@H]1C[C@H]1CN[C@H](c1nccs1)c1ccccc1 ZINC000901983119 1129969752 /nfs/dbraw/zinc/96/97/52/1129969752.db2.gz CNDSDOLBYBPHQD-SNPRPXQTSA-N 0 1 272.417 3.868 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)s2)[C@@H](C(=O)[O-])C1 ZINC000902010872 1129971222 /nfs/dbraw/zinc/97/12/22/1129971222.db2.gz DPWUGEJZTFSGRC-DGCLKSJQSA-N 0 1 295.448 3.731 20 0 CHADMN Cc1cc(C)c(/C=C/C[N@H+]2CCC[C@H]2CC(=O)[O-])cc1C ZINC000902005718 1129971431 /nfs/dbraw/zinc/97/14/31/1129971431.db2.gz ACRFVZWHUZSQQV-YXMMZVCTSA-N 0 1 287.403 3.564 20 0 CHADMN Cc1c2nc[nH]c2ccc1NCCC(=O)c1ccccc1 ZINC001170021053 1129971724 /nfs/dbraw/zinc/97/17/24/1129971724.db2.gz ZSPQOSQBYXNPQE-UHFFFAOYSA-N 0 1 279.343 3.556 20 0 CHADMN CCCCCC[C@@H](C)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000771045006 1129971754 /nfs/dbraw/zinc/97/17/54/1129971754.db2.gz KCAWRDNIYKAFQY-SECBINFHSA-N 0 1 291.317 3.974 20 0 CHADMN C[C@@H](C[N@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000902018451 1129971798 /nfs/dbraw/zinc/97/17/98/1129971798.db2.gz USGVRMSQYXFLGG-XUJVJEKNSA-N 0 1 295.810 3.629 20 0 CHADMN CC(C)c1ccc(CC[N@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC000902018032 1129972064 /nfs/dbraw/zinc/97/20/64/1129972064.db2.gz SDEKAHZPCINGOB-WMLDXEAASA-N 0 1 289.419 3.538 20 0 CHADMN CCCN1Cc2cccc(NC(=O)/C=C(/C)CC)c2C1 ZINC000823038138 1131411403 /nfs/dbraw/zinc/41/14/03/1131411403.db2.gz SBNCAAACCYPHAF-RAXLEYEMSA-N 0 1 272.392 3.707 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H]2CCCc3nc(C)ncc32)c(C)n1 ZINC000771391534 1129979284 /nfs/dbraw/zinc/97/92/84/1129979284.db2.gz RUWXYTAAEVJHCG-CXAGYDPISA-N 0 1 296.418 3.525 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H](C)c1ccc(Cl)nc1 ZINC000771390184 1129979663 /nfs/dbraw/zinc/97/96/63/1129979663.db2.gz WPRADSNQAACKCM-NWDGAFQWSA-N 0 1 275.783 3.850 20 0 CHADMN C[C@@H]1CCN(Cc2ccnc(Cl)c2)CC12CCC2 ZINC000771465903 1129982804 /nfs/dbraw/zinc/98/28/04/1129982804.db2.gz YKASQSTZCPSVHI-GFCCVEGCSA-N 0 1 264.800 3.747 20 0 CHADMN O=C(/C=C\c1ccccc1)Nc1cc(F)cc(Cl)c1O ZINC000771514528 1129982904 /nfs/dbraw/zinc/98/29/04/1129982904.db2.gz UKSJTGBPINVMKM-SREVYHEPSA-N 0 1 291.709 3.837 20 0 CHADMN O=C(/C=C/c1ccccc1)Nc1cc(F)cc(Cl)c1O ZINC000771514529 1129983144 /nfs/dbraw/zinc/98/31/44/1129983144.db2.gz UKSJTGBPINVMKM-VOTSOKGWSA-N 0 1 291.709 3.837 20 0 CHADMN Cc1cscc1CN[C@@H](C)c1ccnc(Cl)c1 ZINC000786929611 1131423778 /nfs/dbraw/zinc/42/37/78/1131423778.db2.gz SZXDFMFYVKQGEV-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN CC(=O)Nc1ccc(CNCc2cscc2Cl)cc1 ZINC000771943389 1129998047 /nfs/dbraw/zinc/99/80/47/1129998047.db2.gz LQQMQOOCCFZYIQ-UHFFFAOYSA-N 0 1 294.807 3.650 20 0 CHADMN Cc1cnc(CN(CCc2ccccc2)C2CC2)s1 ZINC000772175565 1130009991 /nfs/dbraw/zinc/00/99/91/1130009991.db2.gz REUTZFRUPHILHF-UHFFFAOYSA-N 0 1 272.417 3.659 20 0 CHADMN C[C@H]1CC[N@@H+](CCC(C)(C)C(=O)[O-])CC12CCCCC2 ZINC000902438586 1130011169 /nfs/dbraw/zinc/01/11/69/1130011169.db2.gz PLVROESOWMWDHK-AWEZNQCLSA-N 0 1 281.440 3.780 20 0 CHADMN CNc1ccccc1CN[C@@H](C)c1cccc(F)c1F ZINC000902436664 1130011337 /nfs/dbraw/zinc/01/13/37/1130011337.db2.gz FJNJIYZFPKSJJX-NSHDSACASA-N 0 1 276.330 3.857 20 0 CHADMN COc1ccc(-c2cc3nc[nH]c3c(C)c2)cc1OC ZINC001239615937 1130013004 /nfs/dbraw/zinc/01/30/04/1130013004.db2.gz GKMQDJKWXULRTK-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN COc1ccc(-c2cc3[nH]cnc3cc2C)cc1OC ZINC001239616259 1130013551 /nfs/dbraw/zinc/01/35/51/1130013551.db2.gz QOAKFIKTOMLWNG-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN CCc1oc(C[N@@H+](C)[C@@H]2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000902511263 1130017863 /nfs/dbraw/zinc/01/78/63/1130017863.db2.gz ISJIZAKKWHFDNE-BXUZGUMPSA-N 0 1 279.380 3.551 20 0 CHADMN CCn1cnc(CN[C@@H]2CCc3ccc(C(C)C)cc32)c1 ZINC000902500926 1130018086 /nfs/dbraw/zinc/01/80/86/1130018086.db2.gz NXRQIGGNNRVQJP-GOSISDBHSA-N 0 1 283.419 3.804 20 0 CHADMN C[C@@H]1CC[C@H](C)N1CC(=O)OCc1ccc(C(F)F)cc1 ZINC000785741243 1130052660 /nfs/dbraw/zinc/05/26/60/1130052660.db2.gz KTFGGXRHHZFPQK-TXEJJXNPSA-N 0 1 297.345 3.540 20 0 CHADMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902528154 1130020446 /nfs/dbraw/zinc/02/04/46/1130020446.db2.gz MWGGUIQRPKKKIK-TZMCWYRMSA-N 0 1 298.386 3.696 20 0 CHADMN Oc1ccc(F)c(-c2ccc(C3=NCCC3)cc2)c1 ZINC001242763249 1130022185 /nfs/dbraw/zinc/02/21/85/1130022185.db2.gz STXABBQGKAXZAP-UHFFFAOYSA-N 0 1 255.292 3.781 20 0 CHADMN CCC[C@H](CN1CCO[C@@H](C(F)F)C1)c1ccccc1 ZINC000802654096 1130027060 /nfs/dbraw/zinc/02/70/60/1130027060.db2.gz VMYFBDDOJLFGAA-HUUCEWRRSA-N 0 1 283.362 3.536 20 0 CHADMN COc1ccc2c(c1)nccc2-c1cccc2cncn21 ZINC001239683852 1130053570 /nfs/dbraw/zinc/05/35/70/1130053570.db2.gz OAGCCLOZUKFHDD-UHFFFAOYSA-N 0 1 275.311 3.558 20 0 CHADMN CC[C@H](NCc1cn(CC)cn1)c1cc(C)ccc1C ZINC000902625391 1130031591 /nfs/dbraw/zinc/03/15/91/1130031591.db2.gz BGLAOTPTAPWVDO-KRWDZBQOSA-N 0 1 271.408 3.761 20 0 CHADMN CCCN(CCC)c1ccc(NC[C@@H](O)C(C)C)cc1 ZINC001253772076 1130032857 /nfs/dbraw/zinc/03/28/57/1130032857.db2.gz ZPNWLMXSSGTLHR-QGZVFWFLSA-N 0 1 278.440 3.742 20 0 CHADMN CN1CCc2c(F)cc(-c3cc(F)cc(F)c3)cc2C1 ZINC001239658796 1130037462 /nfs/dbraw/zinc/03/74/62/1130037462.db2.gz ZEBYOOYIFPKCEN-UHFFFAOYSA-N 0 1 277.289 3.759 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CNCc1cccc(F)n1 ZINC000785541534 1130039633 /nfs/dbraw/zinc/03/96/33/1130039633.db2.gz QVQNYWLWGQEFRC-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN CSc1ccc(COC(=O)c2cccc3[nH]ncc32)cc1 ZINC000785592710 1130040563 /nfs/dbraw/zinc/04/05/63/1130040563.db2.gz RHONRASGSYTONI-UHFFFAOYSA-N 0 1 298.367 3.642 20 0 CHADMN CCC[C@H](NCc1cc(CC)n[nH]1)c1ccsc1 ZINC000785566715 1130042906 /nfs/dbraw/zinc/04/29/06/1130042906.db2.gz WSBWJMCSNNQAOT-AWEZNQCLSA-N 0 1 263.410 3.665 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)C[C@H]2NCc1ccco1 ZINC000902721265 1130043401 /nfs/dbraw/zinc/04/34/01/1130043401.db2.gz XAWAHGZMWKXVAQ-SJKOYZFVSA-N 0 1 271.360 3.701 20 0 CHADMN CCC(CC)[C@H](N[C@@H](C)c1cn(C)nn1)c1cccs1 ZINC000902779391 1130055651 /nfs/dbraw/zinc/05/56/51/1130055651.db2.gz WKMHQCSCFVBOES-NHYWBVRUSA-N 0 1 292.452 3.705 20 0 CHADMN CN1CCN(c2ccc(-c3ccc4[nH]ccc4c3)cc2)CC1 ZINC001239695534 1130059100 /nfs/dbraw/zinc/05/91/00/1130059100.db2.gz LFQOIZJVQKTPHG-UHFFFAOYSA-N 0 1 291.398 3.587 20 0 CHADMN CCCn1cc([C@H](C)N[C@@H](c2ccccc2C)C2CC2)nn1 ZINC000902801671 1130060762 /nfs/dbraw/zinc/06/07/62/1130060762.db2.gz DHELICFGHLMQQT-KBXCAEBGSA-N 0 1 298.434 3.798 20 0 CHADMN CCc1ccccc1-c1nc(C(C)(C)C)nc2nc[nH]c21 ZINC001239743216 1130084940 /nfs/dbraw/zinc/08/49/40/1130084940.db2.gz PCTWLDMAWCKPHL-UHFFFAOYSA-N 0 1 280.375 3.831 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)OCCCCC(F)(F)F ZINC000786343408 1130087254 /nfs/dbraw/zinc/08/72/54/1130087254.db2.gz KOXZDRASRDUPPR-UHFFFAOYSA-N 0 1 292.301 3.731 20 0 CHADMN COc1cccc(-c2cccc3nc(C)[nH]c32)c1F ZINC001239749571 1130090078 /nfs/dbraw/zinc/09/00/78/1130090078.db2.gz BCAALOKKCFZFSA-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CC(C)=CCN[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902970483 1130093654 /nfs/dbraw/zinc/09/36/54/1130093654.db2.gz MIDVKBFEMJMYAG-JTQLQIEISA-N 0 1 258.287 3.717 20 0 CHADMN COc1ccc(C)cc1-c1ccc(F)c(CN(C)C)c1 ZINC001239770428 1130101410 /nfs/dbraw/zinc/10/14/10/1130101410.db2.gz UNDVYOZCPUHPOK-UHFFFAOYSA-N 0 1 273.351 3.871 20 0 CHADMN COc1ccc(C)cc1-c1cc(F)c2c(c1)CN(C)CC2 ZINC001239770702 1130101807 /nfs/dbraw/zinc/10/18/07/1130101807.db2.gz ZSEMDHPUOMFRSR-UHFFFAOYSA-N 0 1 285.362 3.798 20 0 CHADMN CC(C)(C)c1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000786594445 1130109343 /nfs/dbraw/zinc/10/93/43/1130109343.db2.gz PBSMVCYWCBRHBW-MRXNPFEDSA-N 0 1 286.419 3.549 20 0 CHADMN CC(C)(C)c1ccc(NC(=O)[C@H]2CCCN2C2CC2)cc1 ZINC000786594445 1130109348 /nfs/dbraw/zinc/10/93/48/1130109348.db2.gz PBSMVCYWCBRHBW-MRXNPFEDSA-N 0 1 286.419 3.549 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000803183945 1130109904 /nfs/dbraw/zinc/10/99/04/1130109904.db2.gz YPZIUBJTTLLRDM-LSDHHAIUSA-N 0 1 291.354 3.614 20 0 CHADMN CO[C@@H]1CCC[C@H]1N[C@H](c1cccc(C)c1)c1ccccn1 ZINC000903130819 1130117324 /nfs/dbraw/zinc/11/73/24/1130117324.db2.gz OUKQMIAUVZEHRY-BHIYHBOVSA-N 0 1 296.414 3.637 20 0 CHADMN COC[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccc(Cl)cc1 ZINC000786867444 1130120119 /nfs/dbraw/zinc/12/01/19/1130120119.db2.gz AEZQPYXXCDZFCY-XHDPSFHLSA-N 0 1 278.783 3.706 20 0 CHADMN CO[C@@H]1CCC[C@@H]1N[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000903165214 1130122142 /nfs/dbraw/zinc/12/21/42/1130122142.db2.gz PTWHSFAUQXOLEA-QXAKKESOSA-N 0 1 296.414 3.637 20 0 CHADMN C[C@H](NCc1nccc2c1CCCC2)c1ccccc1 ZINC000903184793 1130125577 /nfs/dbraw/zinc/12/55/77/1130125577.db2.gz ODJSICPVWPWOFC-AWEZNQCLSA-N 0 1 266.388 3.811 20 0 CHADMN c1ccc2c(c1)NCCC[C@H]2NCc1nc2c(s1)CCC2 ZINC000903191629 1130126891 /nfs/dbraw/zinc/12/68/91/1130126891.db2.gz YZWVGBQNUNSCOJ-CQSZACIVSA-N 0 1 299.443 3.668 20 0 CHADMN CC(C)[C@@H](NCc1cc(N(C)C)cc[nH+]1)c1ccccc1 ZINC000903202140 1130129267 /nfs/dbraw/zinc/12/92/67/1130129267.db2.gz XTRLYKMVYCCIAU-GOSISDBHSA-N 0 1 283.419 3.635 20 0 CHADMN CC(C)N(Cc1ccco1)C[C@@H]1CC1(Cl)Cl ZINC000746651840 1130134451 /nfs/dbraw/zinc/13/44/51/1130134451.db2.gz WUFCFJKNZFQCPU-JTQLQIEISA-N 0 1 262.180 3.684 20 0 CHADMN CCC[C@H](NCc1cnn(CC2CCC2)c1)c1cccnc1 ZINC000903240850 1130135062 /nfs/dbraw/zinc/13/50/62/1130135062.db2.gz YUMWVMNGWSAKET-SFHVURJKSA-N 0 1 298.434 3.709 20 0 CHADMN CC[C@H](NCc1cccc(Cl)c1OC)c1ccncc1 ZINC000903246047 1130136020 /nfs/dbraw/zinc/13/60/20/1130136020.db2.gz LFDNBZHPXFOIOJ-HNNXBMFYSA-N 0 1 290.794 3.985 20 0 CHADMN Cc1nc(F)ccc1CN1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000787271562 1130143501 /nfs/dbraw/zinc/14/35/01/1130143501.db2.gz MLYGIEZCYAGTON-BLLLJJGKSA-N 0 1 285.366 3.507 20 0 CHADMN COc1cc(Cl)c(F)cc1N[C@@H]1CCCc2[nH]ncc21 ZINC000903275748 1130143645 /nfs/dbraw/zinc/14/36/45/1130143645.db2.gz RAQYHQLTKXMVFD-LLVKDONJSA-N 0 1 295.745 3.700 20 0 CHADMN Fc1ccc([C@H](N[C@@H]2CCCC3(CC3)C2)c2ncc[nH]2)cc1 ZINC000903280453 1130144579 /nfs/dbraw/zinc/14/45/79/1130144579.db2.gz VELGYMJLGFSNFM-CVEARBPZSA-N 0 1 299.393 3.951 20 0 CHADMN CCOc1ccc(F)c(-c2ccc3cncn3c2)c1 ZINC001242935793 1130146304 /nfs/dbraw/zinc/14/63/04/1130146304.db2.gz FRZMEWVEHRQOBB-UHFFFAOYSA-N 0 1 256.280 3.539 20 0 CHADMN N=C(N)N(c1ccc(F)cc1)c1nccc2c(F)cccc21 ZINC001157229948 1130148045 /nfs/dbraw/zinc/14/80/45/1130148045.db2.gz UNTDEUWBWUFFRW-UHFFFAOYSA-N 0 1 298.296 3.545 20 0 CHADMN Cc1ccc([C@H](C)NCc2c(C)cc(CO)cc2C)o1 ZINC000903306973 1130149765 /nfs/dbraw/zinc/14/97/65/1130149765.db2.gz FZCYCGXKYGBQBK-AWEZNQCLSA-N 0 1 273.376 3.548 20 0 CHADMN COc1ccc2c(c1F)CC[C@H]2N[C@@H](C)c1cncs1 ZINC000903311099 1130150733 /nfs/dbraw/zinc/15/07/33/1130150733.db2.gz NHKUVHZOTGWHJP-JOYOIKCWSA-N 0 1 292.379 3.629 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)COC2)c1cncs1 ZINC000903312685 1130151739 /nfs/dbraw/zinc/15/17/39/1130151739.db2.gz XRBLJVQZVGMBTK-WDEREUQCSA-N 0 1 274.389 3.585 20 0 CHADMN C[C@@H](N[C@H]1CCCc2ccc(O)cc21)c1cncs1 ZINC000903312533 1130152124 /nfs/dbraw/zinc/15/21/24/1130152124.db2.gz WMNWKUDNRIBNAW-YGRLFVJLSA-N 0 1 274.389 3.577 20 0 CHADMN Cc1cccnc1[C@@H](N[C@@H]1CCCn2nccc21)C(C)(C)C ZINC000903328101 1130156259 /nfs/dbraw/zinc/15/62/59/1130156259.db2.gz FLBUHLLXUDUXHU-RHSMWYFYSA-N 0 1 298.434 3.798 20 0 CHADMN CCN1CCCC[C@H]1C(=O)Nc1ccc(C2CCC2)cc1 ZINC000787692060 1130158691 /nfs/dbraw/zinc/15/86/91/1130158691.db2.gz UPZJOCCDTHDYQN-KRWDZBQOSA-N 0 1 286.419 3.767 20 0 CHADMN CC(C(=O)Nc1nc2ccc(F)cc2[nH]1)=C1CCCC1 ZINC000787683053 1130159204 /nfs/dbraw/zinc/15/92/04/1130159204.db2.gz BAWXNWPNDHXCLT-UHFFFAOYSA-N 0 1 273.311 3.531 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](c2ccccn2)C2CC2)c(C)n1 ZINC000903334584 1130159592 /nfs/dbraw/zinc/15/95/92/1130159592.db2.gz CTGHKDUXYYFBCI-KDOFPFPSSA-N 0 1 281.403 3.895 20 0 CHADMN CC[C@@H](N[C@@H](c1ccccn1)C1CC1)c1ccncc1 ZINC000903336523 1130161311 /nfs/dbraw/zinc/16/13/11/1130161311.db2.gz ZTLYPXNETGTLKE-NVXWUHKLSA-N 0 1 267.376 3.669 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H](c1ccccn1)C1CC1 ZINC000903341460 1130163163 /nfs/dbraw/zinc/16/31/63/1130163163.db2.gz YMBOMNCGCWGCIS-CXAGYDPISA-N 0 1 267.376 3.587 20 0 CHADMN CC(C)[C@@H](NCc1cn(C)cn1)c1ccc2c(c1)CCCC2 ZINC000903351205 1130164880 /nfs/dbraw/zinc/16/48/80/1130164880.db2.gz IYGRAJJUQPQKCO-LJQANCHMSA-N 0 1 297.446 3.786 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@H](c1ccncc1)C1CC1 ZINC000903429507 1130176918 /nfs/dbraw/zinc/17/69/18/1130176918.db2.gz VDDQCEOPTKLAJG-ACJLOTCBSA-N 0 1 281.403 3.841 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@H](c1ccncc1)C1CC1 ZINC000903429510 1130176991 /nfs/dbraw/zinc/17/69/91/1130176991.db2.gz VDDQCEOPTKLAJG-UGSOOPFHSA-N 0 1 281.403 3.841 20 0 CHADMN Cl/C=C\CN[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000903445812 1130177316 /nfs/dbraw/zinc/17/73/16/1130177316.db2.gz WAKQQSKCMGBWKP-WSVPDTOYSA-N 0 1 287.794 3.592 20 0 CHADMN C[C@H](NC/C=C/Cl)c1cc2c(ccnc2Cl)o1 ZINC000903444292 1130177667 /nfs/dbraw/zinc/17/76/67/1130177667.db2.gz OFJIJOBEXWMFJU-KHVHVRLGSA-N 0 1 271.147 3.884 20 0 CHADMN Cc1nc2c[nH]cc(-c3cccc(OC(C)C)c3)c-2n1 ZINC001239970063 1130178864 /nfs/dbraw/zinc/17/88/64/1130178864.db2.gz FGUUVNGWNSVGFN-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN Cc1nc2c(cncc2-c2cccc(OC(C)C)c2)[nH]1 ZINC001239970063 1130178867 /nfs/dbraw/zinc/17/88/67/1130178867.db2.gz FGUUVNGWNSVGFN-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN Cc1cc([C@@H](C)[N@H+]2CC[C@@H](C)C[C@@H](C)C2)oc1C(=O)[O-] ZINC000903631125 1130185894 /nfs/dbraw/zinc/18/58/94/1130185894.db2.gz MKXSOWLJZINCKE-NQBHXWOUSA-N 0 1 279.380 3.715 20 0 CHADMN Cc1ccccc1[C@H]1CCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903696775 1130190175 /nfs/dbraw/zinc/19/01/75/1130190175.db2.gz OASVUUSTRJBBII-MRXNPFEDSA-N 0 1 287.403 3.777 20 0 CHADMN CC[C@@H]1c2ccsc2CC[N@@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903696517 1130190369 /nfs/dbraw/zinc/19/03/69/1130190369.db2.gz IIJYQVFHUKLRON-CYBMUJFWSA-N 0 1 293.432 3.702 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]1c1ccccc1 ZINC000903696926 1130190521 /nfs/dbraw/zinc/19/05/21/1130190521.db2.gz CUDUIJXNQOJAQV-IXDOHACOSA-N 0 1 287.403 3.509 20 0 CHADMN C[N@@H+](CCC1(C(=O)[O-])CCC1)C1CCC(C)(C)CC1 ZINC000903695861 1130190657 /nfs/dbraw/zinc/19/06/57/1130190657.db2.gz LELLCMROKKFVES-UHFFFAOYSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC000903697660 1130191007 /nfs/dbraw/zinc/19/10/07/1130191007.db2.gz WDDHUSOMFRMEOL-NSHDSACASA-N 0 1 297.345 3.603 20 0 CHADMN CC(C)c1ccccc1C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000903702352 1130191348 /nfs/dbraw/zinc/19/13/48/1130191348.db2.gz VQLMCGYYPBBTIG-OAHLLOKOSA-N 0 1 289.419 3.887 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cccc2cnccc21 ZINC001240009402 1130191796 /nfs/dbraw/zinc/19/17/96/1130191796.db2.gz PZZAVMTYVJYHRX-UHFFFAOYSA-N 0 1 275.311 3.787 20 0 CHADMN CS[C@@H]1CC[C@@H](NCc2ncc(C(F)(F)F)s2)C1 ZINC000788522059 1130192908 /nfs/dbraw/zinc/19/29/08/1130192908.db2.gz VANLIQOIAAOPLB-HTQZYQBOSA-N 0 1 296.383 3.536 20 0 CHADMN CCCC[C@@H](COC)N[C@H]1COCc2cccc(Cl)c21 ZINC000788600473 1130197097 /nfs/dbraw/zinc/19/70/97/1130197097.db2.gz DHSCUOWKUDZMNQ-ZFWWWQNUSA-N 0 1 297.826 3.706 20 0 CHADMN CC(C)CSCCN[C@H]1COCc2cccc(Cl)c21 ZINC000788684438 1130200084 /nfs/dbraw/zinc/20/00/84/1130200084.db2.gz DJERUKHEJFMXOW-AWEZNQCLSA-N 0 1 299.867 3.890 20 0 CHADMN CCC[C@@H]1CCC[N@H+]([C@@H](CCc2ccccc2)C(=O)[O-])C1 ZINC000903894361 1130208597 /nfs/dbraw/zinc/20/85/97/1130208597.db2.gz UUVPEYCMIZYURC-SJORKVTESA-N 0 1 289.419 3.585 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000903899289 1130210004 /nfs/dbraw/zinc/21/00/04/1130210004.db2.gz XAVPZUGCSGRZSI-TWUFHKLRSA-N 0 1 299.414 3.665 20 0 CHADMN CC1(C)C[C@H](c2ccccc2)C[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000903934082 1130210083 /nfs/dbraw/zinc/21/00/83/1130210083.db2.gz ICUYKPZJVZNRQS-HNNXBMFYSA-N 0 1 287.403 3.509 20 0 CHADMN C[N@@H+](CC1CCC2(CC2)CC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000903906605 1130210865 /nfs/dbraw/zinc/21/08/65/1130210865.db2.gz MEIXGTYYZJWNGW-MRXNPFEDSA-N 0 1 287.403 3.715 20 0 CHADMN CCOc1cccc(CN[C@H]2c3ccccc3NC2(C)C)n1 ZINC000903948588 1130211534 /nfs/dbraw/zinc/21/15/34/1130211534.db2.gz RUMGHZRPSMBBBY-KRWDZBQOSA-N 0 1 297.402 3.515 20 0 CHADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CCc1ccc2ccccc2c1 ZINC000903939073 1130212070 /nfs/dbraw/zinc/21/20/70/1130212070.db2.gz LWMHUBANFVGUIR-RDTXWAMCSA-N 0 1 297.398 3.567 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCCC(C)(C)C)[C@H](C)[C@H]1C(=O)[O-] ZINC000903953598 1130212681 /nfs/dbraw/zinc/21/26/81/1130212681.db2.gz ULCRFHKKFGIQKQ-RQJABVFESA-N 0 1 269.429 3.632 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2Cl)[C@H](C)[C@H]1C(=O)[O-] ZINC000903952143 1130213185 /nfs/dbraw/zinc/21/31/85/1130213185.db2.gz WLEDLVFADMTXHZ-ZAZJYDDPSA-N 0 1 295.810 3.660 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2ccc(Cl)nc2)s1 ZINC000788984365 1130222285 /nfs/dbraw/zinc/22/22/85/1130222285.db2.gz RKUJRCOCOQRQCY-BDAKNGLRSA-N 0 1 281.812 3.912 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCCCOC(C)(C)C)no1 ZINC000789305592 1130242301 /nfs/dbraw/zinc/24/23/01/1130242301.db2.gz KUKDCUGOUJZGQX-HNNXBMFYSA-N 0 1 280.412 3.715 20 0 CHADMN CC(C)CCCCCC(=O)Nc1cc(CN(C)C)ccn1 ZINC000748745443 1130244502 /nfs/dbraw/zinc/24/45/02/1130244502.db2.gz YTUKDFGQNPFFCP-UHFFFAOYSA-N 0 1 291.439 3.688 20 0 CHADMN C[C@H]1CC[C@H](NC2(c3ccccc3C(F)(F)F)COC2)C1 ZINC001170104942 1130247036 /nfs/dbraw/zinc/24/70/36/1130247036.db2.gz ORAOBZGIHZWMNK-RYUDHWBXSA-N 0 1 299.336 3.709 20 0 CHADMN c1ncn2c1cccc2-c1cccc(N2CCCCC2)c1 ZINC001240252696 1130249702 /nfs/dbraw/zinc/24/97/02/1130249702.db2.gz OIWQDVCAWXXDTL-UHFFFAOYSA-N 0 1 277.371 3.992 20 0 CHADMN COc1cc(-c2ccc3c(c2)C(C(C)C)=NCC3)ccn1 ZINC001240259869 1130251312 /nfs/dbraw/zinc/25/13/12/1130251312.db2.gz LIIWHIQJGUDPDJ-UHFFFAOYSA-N 0 1 280.371 3.758 20 0 CHADMN Cc1ccc(F)cc1-c1cccc(CCN2CCOCC2)c1 ZINC001240270792 1130253666 /nfs/dbraw/zinc/25/36/66/1130253666.db2.gz OVIFZLOROZXJNA-UHFFFAOYSA-N 0 1 299.389 3.676 20 0 CHADMN Cc1ccccc1OCCN1CC[C@@H]1c1cccc(F)c1 ZINC000749115357 1130264920 /nfs/dbraw/zinc/26/49/20/1130264920.db2.gz RCJYSQNYRXRESQ-QGZVFWFLSA-N 0 1 285.362 3.960 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OC[C@@H](C)C1CC1 ZINC000789605738 1130265787 /nfs/dbraw/zinc/26/57/87/1130265787.db2.gz CQSFCFDBXQIBQN-GFCCVEGCSA-N 0 1 298.386 3.896 20 0 CHADMN C[C@@H](NCc1ccnc(N(C)C)c1)c1ccccc1Cl ZINC000749125950 1130266268 /nfs/dbraw/zinc/26/62/68/1130266268.db2.gz KBABJAXNUUWXHR-GFCCVEGCSA-N 0 1 289.810 3.652 20 0 CHADMN COc1cccc([C@@H](C)NCc2cc(C)oc2C)c1 ZINC000749130155 1130267431 /nfs/dbraw/zinc/26/74/31/1130267431.db2.gz XEJQOUVTUABGLF-GFCCVEGCSA-N 0 1 259.349 3.756 20 0 CHADMN COc1ccc(Cl)c(CN2CCC[C@@H](CF)C2)c1 ZINC001137264967 1130270725 /nfs/dbraw/zinc/27/07/25/1130270725.db2.gz FTRRBHZQXKQUHF-NSHDSACASA-N 0 1 271.763 3.530 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)N1CCc2cn[nH]c2C1 ZINC000676796342 1130271912 /nfs/dbraw/zinc/27/19/12/1130271912.db2.gz IUBPTHCJTOSAKV-HNNXBMFYSA-N 0 1 275.783 3.573 20 0 CHADMN Cc1nc([C@H](C)NCCOc2ccc(F)cc2)c(C)s1 ZINC000676839991 1130273628 /nfs/dbraw/zinc/27/36/28/1130273628.db2.gz URTHFSOOTDXLGR-JTQLQIEISA-N 0 1 294.395 3.629 20 0 CHADMN COc1ncc(CN2CCC[C@H]2C(C)(C)C)cc1Cl ZINC000676887199 1130275535 /nfs/dbraw/zinc/27/55/35/1130275535.db2.gz KNDXEKAFXIGJQP-ZDUSSCGKSA-N 0 1 282.815 3.754 20 0 CHADMN Cn1c2ccc(Cl)cc2nc1CN[C@@H]1CCC(F)(F)C1 ZINC000676902998 1130276343 /nfs/dbraw/zinc/27/63/43/1130276343.db2.gz URWDOBAUCVMAKF-SNVBAGLBSA-N 0 1 299.752 3.504 20 0 CHADMN Cc1cc(-c2ccc(-c3cnn(C)c3)cc2)cc2nc[nH]c21 ZINC001240363981 1130278980 /nfs/dbraw/zinc/27/89/80/1130278980.db2.gz XRAYXSJZARMRIX-UHFFFAOYSA-N 0 1 288.354 3.939 20 0 CHADMN Cc1nc2cccc(-c3ccc(-c4cnn(C)c4)cc3)c2[nH]1 ZINC001240365308 1130279915 /nfs/dbraw/zinc/27/99/15/1130279915.db2.gz WMYLMXCUCGOJSY-UHFFFAOYSA-N 0 1 288.354 3.939 20 0 CHADMN Fc1cccc(C2=CCCN(Cc3ccccc3)C2)n1 ZINC001240385033 1130285631 /nfs/dbraw/zinc/28/56/31/1130285631.db2.gz KRCXRAAWVLXCGU-UHFFFAOYSA-N 0 1 268.335 3.510 20 0 CHADMN Fc1ccccc1-n1ccc(CN2CCC[C@H](C3CC3)C2)n1 ZINC000677056837 1130285698 /nfs/dbraw/zinc/28/56/98/1130285698.db2.gz FXKGYGHPWVUXKV-HNNXBMFYSA-N 0 1 299.393 3.633 20 0 CHADMN CCC(CC)n1ccc(CN2CCC[C@@H](C3CC3)C2)n1 ZINC000677061855 1130286915 /nfs/dbraw/zinc/28/69/15/1130286915.db2.gz RDXPHSIVEXUCSX-OAHLLOKOSA-N 0 1 275.440 3.866 20 0 CHADMN Cc1csc(CN2CC[C@]3(C2)CCCCO3)c1Cl ZINC001137287844 1130297067 /nfs/dbraw/zinc/29/70/67/1130297067.db2.gz ZIZSNAMBRHQQHJ-AWEZNQCLSA-N 0 1 285.840 3.855 20 0 CHADMN CC(=O)[C@@H]1CCCN(Cc2scc(C)c2Cl)C1 ZINC001137292672 1130306881 /nfs/dbraw/zinc/30/68/81/1130306881.db2.gz KFNCUVSKZAKMSX-LLVKDONJSA-N 0 1 271.813 3.511 20 0 CHADMN Cc1ccc(C[C@@H]2CCCN(Cc3nccc(C)n3)C2)cc1 ZINC000677376937 1130307820 /nfs/dbraw/zinc/30/78/20/1130307820.db2.gz ATLKXZPMIXGTNB-SFHVURJKSA-N 0 1 295.430 3.548 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cc(OC)cc(C)n1 ZINC000677441318 1130310866 /nfs/dbraw/zinc/31/08/66/1130310866.db2.gz MVHAVGJPFLYXAT-LJQANCHMSA-N 0 1 296.414 3.908 20 0 CHADMN CCCC1CCN(Cc2cn3c(cccc3C)n2)CC1 ZINC001137299114 1130314928 /nfs/dbraw/zinc/31/49/28/1130314928.db2.gz CXCHVWMICBZYAV-UHFFFAOYSA-N 0 1 271.408 3.655 20 0 CHADMN CSc1ccc(F)c(-c2cccc3[nH]nnc32)c1F ZINC001243212617 1130320801 /nfs/dbraw/zinc/32/08/01/1130320801.db2.gz QXXLKDKEENPMRW-UHFFFAOYSA-N 0 1 277.299 3.625 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC2(CCOC2)CC1 ZINC000677720135 1130323656 /nfs/dbraw/zinc/32/36/56/1130323656.db2.gz NQCFFVKEMDAYIS-ZDUSSCGKSA-N 0 1 292.423 3.536 20 0 CHADMN Cc1cccc(C)c1OCCCN1CC2(C1)CC(F)(F)C2 ZINC000677731433 1130325582 /nfs/dbraw/zinc/32/55/82/1130325582.db2.gz ABVUUUXFUHLGIL-UHFFFAOYSA-N 0 1 295.373 3.803 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CC[C@@H](C(F)F)C1 ZINC000677732019 1130327186 /nfs/dbraw/zinc/32/71/86/1130327186.db2.gz WQYYVFFWSBPVOS-RKDXNWHRSA-N 0 1 261.262 3.613 20 0 CHADMN C[C@H](c1ncc(-c2ccccc2)o1)N1CC[C@@H](C(F)F)C1 ZINC000677735618 1130327846 /nfs/dbraw/zinc/32/78/46/1130327846.db2.gz FHSNSDTUVCBEMU-DGCLKSJQSA-N 0 1 292.329 3.990 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cnc3ccccc3c2)s1 ZINC000677754964 1130330463 /nfs/dbraw/zinc/33/04/63/1130330463.db2.gz NUHIKUPQRJBWFW-LLVKDONJSA-N 0 1 283.400 3.851 20 0 CHADMN CCn1nccc1CN[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000678016416 1130341757 /nfs/dbraw/zinc/34/17/57/1130341757.db2.gz RQHAXAXEBPOWMQ-JTQLQIEISA-N 0 1 281.762 3.546 20 0 CHADMN C[C@H](NCc1ccsc1Cl)[C@H](O)c1cccc(F)c1 ZINC000790972862 1130343725 /nfs/dbraw/zinc/34/37/25/1130343725.db2.gz IPSLVKUPPTYCLQ-ZANVPECISA-N 0 1 299.798 3.752 20 0 CHADMN C[C@@H](NCc1ccsc1Cl)[C@H](O)c1cccc(F)c1 ZINC000790972858 1130344147 /nfs/dbraw/zinc/34/41/47/1130344147.db2.gz IPSLVKUPPTYCLQ-RNCFNFMXSA-N 0 1 299.798 3.752 20 0 CHADMN Nc1ccc(-c2cccc3nc(C(F)(F)F)[nH]c32)c(F)c1 ZINC001240530482 1130344679 /nfs/dbraw/zinc/34/46/79/1130344679.db2.gz UUDMSYIRBLWYFL-UHFFFAOYSA-N 0 1 295.239 3.970 20 0 CHADMN CN(C)Cc1ccc(-c2cc(F)ccc2C(F)(F)F)nc1 ZINC001240532110 1130345702 /nfs/dbraw/zinc/34/57/02/1130345702.db2.gz YVZSYYWGRPAYBG-UHFFFAOYSA-N 0 1 298.283 3.968 20 0 CHADMN Fc1ccc(C(F)(F)F)c(-c2ccc3[nH]nnc3c2)c1 ZINC001240531861 1130346184 /nfs/dbraw/zinc/34/61/84/1130346184.db2.gz CWGONUGFXPYSFQ-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN Fc1ccc(C(F)(F)F)c(-c2ccc3nn[nH]c3c2)c1 ZINC001240531861 1130346190 /nfs/dbraw/zinc/34/61/90/1130346190.db2.gz CWGONUGFXPYSFQ-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN c1n[nH]cc1CN(Cc1ccccc1)Cc1ccccc1 ZINC000678120383 1130351254 /nfs/dbraw/zinc/35/12/54/1130351254.db2.gz POZDLYAXVVRLQQ-UHFFFAOYSA-N 0 1 277.371 3.612 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2[nH]nc3ccccc32)cc1 ZINC000678121272 1130352114 /nfs/dbraw/zinc/35/21/14/1130352114.db2.gz BHWQNYYIMXXNKA-UHFFFAOYSA-N 0 1 279.387 3.757 20 0 CHADMN CCn1nc(C)c(CN(C)[C@H](C)c2ccccc2)c1C ZINC000678125764 1130353429 /nfs/dbraw/zinc/35/34/29/1130353429.db2.gz QPXAXRVYKAXTBR-CQSZACIVSA-N 0 1 271.408 3.713 20 0 CHADMN CC[C@@H](OC(=O)c1c(F)cc(O)cc1F)c1ccccc1 ZINC000746984699 1130353654 /nfs/dbraw/zinc/35/36/54/1130353654.db2.gz GTQOHHYMELVPFT-CQSZACIVSA-N 0 1 292.281 3.979 20 0 CHADMN CCn1nc(C)c(CN(C)[C@H](C)c2ccc(F)cc2)c1C ZINC000678127666 1130354416 /nfs/dbraw/zinc/35/44/16/1130354416.db2.gz AEBFNUCPMHSDDS-CYBMUJFWSA-N 0 1 289.398 3.852 20 0 CHADMN CCCCCN(Cc1cn[nH]c1)Cc1ccc(F)cc1 ZINC000678124861 1130354922 /nfs/dbraw/zinc/35/49/22/1130354922.db2.gz LSCHCHRAQHYXBG-UHFFFAOYSA-N 0 1 275.371 3.741 20 0 CHADMN CCC(C)(C)CCOC(=O)c1c(F)cc(O)cc1F ZINC000746987402 1130356354 /nfs/dbraw/zinc/35/63/54/1130356354.db2.gz SLRLWKHUSPXKJD-UHFFFAOYSA-N 0 1 272.291 3.654 20 0 CHADMN C[C@@H](OC(=O)c1c(F)cc(O)cc1F)c1ccccc1F ZINC000746986775 1130356607 /nfs/dbraw/zinc/35/66/07/1130356607.db2.gz MZKJBSGCSPMIPU-MRVPVSSYSA-N 0 1 296.244 3.728 20 0 CHADMN CCCn1c2ccccc2nc1CN(C)CCC(C)C ZINC000678137527 1130357240 /nfs/dbraw/zinc/35/72/40/1130357240.db2.gz OPQURYGPORHSLQ-UHFFFAOYSA-N 0 1 273.424 3.924 20 0 CHADMN c1cc(-c2cccc(-c3ccc4nc[nH]c4c3)c2)n[nH]1 ZINC001240561538 1130359405 /nfs/dbraw/zinc/35/94/05/1130359405.db2.gz FQGNHNYRVUGGQO-UHFFFAOYSA-N 0 1 260.300 3.620 20 0 CHADMN Cc1ccc(-c2ccc(CN3CCc4cn[nH]c4C3)o2)cc1 ZINC000678275930 1130386861 /nfs/dbraw/zinc/38/68/61/1130386861.db2.gz LNFCEMAOIXRNPO-UHFFFAOYSA-N 0 1 293.370 3.536 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2[nH]nc3ccccc32)[C@H]1c1ccccc1 ZINC000678295945 1130392687 /nfs/dbraw/zinc/39/26/87/1130392687.db2.gz ROGUWTVJMVHAQP-FZKQIMNGSA-N 0 1 277.371 3.756 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2n[nH]c3ccccc32)[C@H]1c1ccccc1 ZINC000678295945 1130392704 /nfs/dbraw/zinc/39/27/04/1130392704.db2.gz ROGUWTVJMVHAQP-FZKQIMNGSA-N 0 1 277.371 3.756 20 0 CHADMN C[C@@H]1CN(Cc2[nH]nc3ccccc32)[C@H]1c1ccccc1 ZINC000678295945 1130392708 /nfs/dbraw/zinc/39/27/08/1130392708.db2.gz ROGUWTVJMVHAQP-FZKQIMNGSA-N 0 1 277.371 3.756 20 0 CHADMN C[C@@H]1CC[C@@H](n2cncc2CNCc2ccccc2)C1 ZINC001170159041 1130393095 /nfs/dbraw/zinc/39/30/95/1130393095.db2.gz QVMFUMUQDJCZPH-GDBMZVCRSA-N 0 1 269.392 3.534 20 0 CHADMN c1coc([C@H]2C[N@@H+](CC3CCCCCC3)CCO2)c1 ZINC000678294269 1130393601 /nfs/dbraw/zinc/39/36/01/1130393601.db2.gz CLONCVBUIYRNPU-MRXNPFEDSA-N 0 1 263.381 3.623 20 0 CHADMN c1coc([C@H]2CN(CC3CCCCCC3)CCO2)c1 ZINC000678294269 1130393604 /nfs/dbraw/zinc/39/36/04/1130393604.db2.gz CLONCVBUIYRNPU-MRXNPFEDSA-N 0 1 263.381 3.623 20 0 CHADMN CCN(Cc1[nH]c(C)cc1C)Cc1cccc(F)c1 ZINC001137331255 1130395598 /nfs/dbraw/zinc/39/55/98/1130395598.db2.gz XAKHDFMJTCKLIQ-UHFFFAOYSA-N 0 1 260.356 3.793 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1cccc2c1OC(C)(C)C2 ZINC000678362637 1130409740 /nfs/dbraw/zinc/40/97/40/1130409740.db2.gz JMBOXBMCKWPHQJ-AWEZNQCLSA-N 0 1 296.414 3.954 20 0 CHADMN Clc1cc(-c2ccc3cncn3c2)cc(Cl)n1 ZINC001243369984 1130411283 /nfs/dbraw/zinc/41/12/83/1130411283.db2.gz SWQFIJLHRHASAP-UHFFFAOYSA-N 0 1 264.115 3.703 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1ccc(C)nc1C ZINC000678426506 1130415490 /nfs/dbraw/zinc/41/54/90/1130415490.db2.gz GZKKMBSYZFEGRS-NWDGAFQWSA-N 0 1 273.380 3.715 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2cnccc2C)s1 ZINC000678429149 1130416123 /nfs/dbraw/zinc/41/61/23/1130416123.db2.gz WJRJCAFRAONAGG-MNOVXSKESA-N 0 1 261.394 3.567 20 0 CHADMN C[N@@H+]1CCCC[C@H]1c1ccc(-c2cc(F)ccc2[O-])nc1 ZINC001240696851 1130423257 /nfs/dbraw/zinc/42/32/57/1130423257.db2.gz YXIVLPWIRZHSSN-INIZCTEOSA-N 0 1 286.350 3.750 20 0 CHADMN C[N@H+]1CCCC[C@H]1c1ccc(-c2cc(F)ccc2[O-])nc1 ZINC001240696851 1130423259 /nfs/dbraw/zinc/42/32/59/1130423259.db2.gz YXIVLPWIRZHSSN-INIZCTEOSA-N 0 1 286.350 3.750 20 0 CHADMN CC(C)(NCc1nc2c(s1)CCC2)c1cccs1 ZINC000678497785 1130423656 /nfs/dbraw/zinc/42/36/56/1130423656.db2.gz WIOBRBHBJHCSBN-UHFFFAOYSA-N 0 1 278.446 3.718 20 0 CHADMN COc1ccccc1CN(C)Cc1c[nH]c2ccc(F)cc12 ZINC001137339837 1130424923 /nfs/dbraw/zinc/42/49/23/1130424923.db2.gz GQSWXSXPZJAYPJ-UHFFFAOYSA-N 0 1 298.361 3.948 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H](C)c1cccc(O)c1 ZINC000678543428 1130426466 /nfs/dbraw/zinc/42/64/66/1130426466.db2.gz CHOMSMSRNPXYOX-CHWSQXEVSA-N 0 1 256.349 3.507 20 0 CHADMN Fc1ccc2[nH]cc(CN3CCc4ccsc4C3)c2c1 ZINC001137340244 1130429181 /nfs/dbraw/zinc/42/91/81/1130429181.db2.gz XCVPIWFNANWDMY-UHFFFAOYSA-N 0 1 286.375 3.927 20 0 CHADMN COc1ccc(C)cc1CN[C@H](C)c1cnc(C)s1 ZINC000678581158 1130431229 /nfs/dbraw/zinc/43/12/29/1130431229.db2.gz CMAFSYHZGHTJLE-LLVKDONJSA-N 0 1 276.405 3.619 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)N[C@H]3CC[C@H]3C)n2)cc1 ZINC000792179532 1130436456 /nfs/dbraw/zinc/43/64/56/1130436456.db2.gz HNMORXBMRUFNAQ-XUJVJEKNSA-N 0 1 285.391 3.748 20 0 CHADMN C[C@H](NCCc1c(F)cccc1Cl)c1cscn1 ZINC000678599368 1130437509 /nfs/dbraw/zinc/43/75/09/1130437509.db2.gz ZENJJUIMYDLDLM-VIFPVBQESA-N 0 1 284.787 3.829 20 0 CHADMN Cc1nc([C@H](C)NC[C@H](C)c2c(C)noc2C)c(C)s1 ZINC000678603882 1130439392 /nfs/dbraw/zinc/43/93/92/1130439392.db2.gz NVHAZNQSOGHNTM-WPRPVWTQSA-N 0 1 293.436 3.819 20 0 CHADMN COc1c(F)ccc(F)c1-c1cccc2nc(C)[nH]c21 ZINC001240725193 1130440442 /nfs/dbraw/zinc/44/04/42/1130440442.db2.gz DMDVVCAIWCOUOU-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2C)C(C)(C)C)nn1C ZINC000678786161 1130454554 /nfs/dbraw/zinc/45/45/54/1130454554.db2.gz ZDSDWTSLQGHBPI-KRWDZBQOSA-N 0 1 285.435 3.914 20 0 CHADMN COCOc1cc(C)ccc1-c1cc2nc[nH]c2cc1OC ZINC001240754951 1130455844 /nfs/dbraw/zinc/45/58/44/1130455844.db2.gz OIMLKEPJAJXGFM-UHFFFAOYSA-N 0 1 298.342 3.530 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)N1C[C@H](F)C[C@H]1C ZINC001170265236 1130470183 /nfs/dbraw/zinc/47/01/83/1130470183.db2.gz GIXRMNOBQNCIFN-DMDPSCGWSA-N 0 1 255.764 3.703 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2nc3c(s2)CCCC3)C1 ZINC000678993251 1130480303 /nfs/dbraw/zinc/48/03/03/1130480303.db2.gz ZJBRFGVGIADHPS-RYUDHWBXSA-N 0 1 264.438 3.642 20 0 CHADMN CC1(C)CC(Nc2ccc3nc[nH]c3c2)CC(C)(C)O1 ZINC001170362444 1130485813 /nfs/dbraw/zinc/48/58/13/1130485813.db2.gz DHTJMGJCMVEQKL-UHFFFAOYSA-N 0 1 273.380 3.711 20 0 CHADMN CCO[C@@H]1C[C@@H](NCc2c(F)ccc(C)c2F)C12CCC2 ZINC001170385078 1130486998 /nfs/dbraw/zinc/48/69/98/1130486998.db2.gz FSLQZMPBQKHLPI-HUUCEWRRSA-N 0 1 295.373 3.711 20 0 CHADMN C=Cc1ccc(-c2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001240855127 1130492898 /nfs/dbraw/zinc/49/28/98/1130492898.db2.gz OJBKCFOVMXDQJX-UHFFFAOYSA-N 0 1 278.399 3.748 20 0 CHADMN C[C@H]1Cc2ccccc2[C@H]1Nc1cnn(-c2ccncc2)c1 ZINC000679128121 1130495218 /nfs/dbraw/zinc/49/52/18/1130495218.db2.gz SFYXYEJROJNROO-UGSOOPFHSA-N 0 1 290.370 3.613 20 0 CHADMN Cc1cccc2c1CC[C@@H]2Nc1cnn(-c2ccncc2)c1 ZINC000679128338 1130495648 /nfs/dbraw/zinc/49/56/48/1130495648.db2.gz UUWRIPOAXOFBPY-SFHVURJKSA-N 0 1 290.370 3.675 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@@H]1Nc1cnn(-c2ccncc2)c1 ZINC000679128117 1130495962 /nfs/dbraw/zinc/49/59/62/1130495962.db2.gz SFYXYEJROJNROO-FZKQIMNGSA-N 0 1 290.370 3.613 20 0 CHADMN COc1ccc(-c2cc3nc[nH]c3cc2OC)cc1C ZINC001240864556 1130497006 /nfs/dbraw/zinc/49/70/06/1130497006.db2.gz AHMHXFVCVQJPCL-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN Cc1cc(N2CC[C@@H](C)[C@H](F)C2)c2cc(F)ccc2n1 ZINC000679190820 1130501421 /nfs/dbraw/zinc/50/14/21/1130501421.db2.gz MPZGZYYRWBWDPC-QMTHXVAHSA-N 0 1 276.330 3.867 20 0 CHADMN C[C@H]1CCN(CCSc2ccc(F)cc2)C[C@H]1F ZINC000679225769 1130505358 /nfs/dbraw/zinc/50/53/58/1130505358.db2.gz YEZCGBJJCSQFFK-SMDDNHRTSA-N 0 1 271.376 3.598 20 0 CHADMN c1cc(-c2ccc(C3=NCCC3)cc2)cc2c1OCO2 ZINC001240899448 1130508888 /nfs/dbraw/zinc/50/88/88/1130508888.db2.gz XFDXXYJDAVFWDM-UHFFFAOYSA-N 0 1 265.312 3.665 20 0 CHADMN Cc1ccccc1-c1noc(CN(C(C)C)C(C)C)n1 ZINC000679320795 1130512945 /nfs/dbraw/zinc/51/29/45/1130512945.db2.gz NYBKULHRFNUHES-UHFFFAOYSA-N 0 1 273.380 3.664 20 0 CHADMN CN(C)Cc1cccc(-c2ccc(N(C)C)cc2)c1F ZINC001240916168 1130515876 /nfs/dbraw/zinc/51/58/76/1130515876.db2.gz JLONUSYNZBISSJ-UHFFFAOYSA-N 0 1 272.367 3.620 20 0 CHADMN Cc1ccc(-c2ncc(CN3CC=CCC3)s2)cc1 ZINC000679357484 1130520921 /nfs/dbraw/zinc/52/09/21/1130520921.db2.gz UOCSLNDGUCQOJV-UHFFFAOYSA-N 0 1 270.401 3.880 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(OCC(F)F)cc2)C[C@H]1F ZINC000679358876 1130521046 /nfs/dbraw/zinc/52/10/46/1130521046.db2.gz NNZLWFSLTFTNAW-BXUZGUMPSA-N 0 1 287.325 3.510 20 0 CHADMN C[C@H]1CCN(Cc2cccc(-c3cccnc3)c2)C[C@@H]1F ZINC000679358688 1130521069 /nfs/dbraw/zinc/52/10/69/1130521069.db2.gz MADRCTQIDQRCEP-KSSFIOAISA-N 0 1 284.378 3.929 20 0 CHADMN COc1ccc(-c2cc3[nH]ccc3c(C)n2)c(OC)c1OC ZINC001240930879 1130522283 /nfs/dbraw/zinc/52/22/83/1130522283.db2.gz ODTCTBMZDKJHRE-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN Cn1ccc2c1ccnc2-c1cccc2ncccc21 ZINC001240933747 1130522360 /nfs/dbraw/zinc/52/23/60/1130522360.db2.gz BXAGQMIOTSJULW-UHFFFAOYSA-N 0 1 259.312 3.789 20 0 CHADMN Cc1[nH]ncc1[C@@H](C)Nc1cnn(CC(C)C)c1C(F)F ZINC000679366296 1130523792 /nfs/dbraw/zinc/52/37/92/1130523792.db2.gz YKHOFUYVCVGJGL-SECBINFHSA-N 0 1 297.353 3.681 20 0 CHADMN CC[C@H](COC(=O)c1ccc2cncn2c1)c1ccccc1 ZINC000793141655 1130524225 /nfs/dbraw/zinc/52/42/25/1130524225.db2.gz PHMFYXOLAFGBON-CQSZACIVSA-N 0 1 294.354 3.685 20 0 CHADMN CC[C@H](N[C@H](CCc1ccccc1)C(F)F)[C@H]1CCOC1 ZINC000679386834 1130524612 /nfs/dbraw/zinc/52/46/12/1130524612.db2.gz PBCHJINIZPPHKN-HRCADAONSA-N 0 1 297.389 3.658 20 0 CHADMN Fc1ccc(C2=CC[C@H](NCc3ccon3)CC2)cc1 ZINC000679388247 1130524974 /nfs/dbraw/zinc/52/49/74/1130524974.db2.gz NZNJKQWOTHMMGW-HNNXBMFYSA-N 0 1 272.323 3.539 20 0 CHADMN Cc1occc1CN[C@H](c1ccc(F)cn1)C(C)C ZINC000679386702 1130525164 /nfs/dbraw/zinc/52/51/64/1130525164.db2.gz QGVKUJPINAJDEG-HNNXBMFYSA-N 0 1 262.328 3.609 20 0 CHADMN CC1(C)CO[C@@H](c2ccccc2)CN1Cc1ccc(O)cc1 ZINC000679393027 1130526636 /nfs/dbraw/zinc/52/66/36/1130526636.db2.gz SFXRLCXGTFYGOF-GOSISDBHSA-N 0 1 297.398 3.744 20 0 CHADMN Oc1ccc(CN[C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000679399042 1130527504 /nfs/dbraw/zinc/52/75/04/1130527504.db2.gz RUFOMVKRUYFAMM-MRXNPFEDSA-N 0 1 287.334 3.535 20 0 CHADMN C[C@@H](c1ccco1)N(Cc1ccc(O)cc1)C1CC1 ZINC000679395112 1130527541 /nfs/dbraw/zinc/52/75/41/1130527541.db2.gz GQUHJXNEJNXUCB-LBPRGKRZSA-N 0 1 257.333 3.711 20 0 CHADMN CC[C@H]1CCCC[C@@H]1Nc1cnn(-c2ccncc2)c1 ZINC000679443653 1130530083 /nfs/dbraw/zinc/53/00/83/1130530083.db2.gz KUWAZGMLRMFNAK-BBRMVZONSA-N 0 1 270.380 3.648 20 0 CHADMN Cc1c[nH]c2ncc(-c3cc4[nH]cnc4cc3C)cc12 ZINC001240957879 1130535735 /nfs/dbraw/zinc/53/57/35/1130535735.db2.gz WSZRCEWHRSNQOK-UHFFFAOYSA-N 0 1 262.316 3.723 20 0 CHADMN Cc1csc(CN(C)C[C@H]2CCc3ccccc32)n1 ZINC000679535097 1130536633 /nfs/dbraw/zinc/53/66/33/1130536633.db2.gz VCOHUVAQDCQTPK-CQSZACIVSA-N 0 1 272.417 3.613 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000679536931 1130537114 /nfs/dbraw/zinc/53/71/14/1130537114.db2.gz QWHWGJZYRSRABO-KBPBESRZSA-N 0 1 295.373 3.603 20 0 CHADMN Cc1ccoc1CN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679583220 1130543683 /nfs/dbraw/zinc/54/36/83/1130543683.db2.gz CKZHGUXAFJDWCP-MNOVXSKESA-N 0 1 261.287 3.751 20 0 CHADMN Cc1ccc(Br)c(CN2C3CCC2CC3)c1 ZINC001137384644 1130549304 /nfs/dbraw/zinc/54/93/04/1130549304.db2.gz IRPYWRHAMMWSBN-UHFFFAOYSA-N 0 1 280.209 3.884 20 0 CHADMN FC(F)O[C@@H]1CCCN(Cc2cc3ccccc3o2)C1 ZINC000679680701 1130551167 /nfs/dbraw/zinc/55/11/67/1130551167.db2.gz CTPUGBCWBMWWGJ-GFCCVEGCSA-N 0 1 281.302 3.636 20 0 CHADMN CCCOc1cccc(CN2CCC[C@H](OC(F)F)C2)c1 ZINC000679740823 1130554760 /nfs/dbraw/zinc/55/47/60/1130554760.db2.gz RMVCUNOAESQEJM-HNNXBMFYSA-N 0 1 299.361 3.679 20 0 CHADMN COc1cc(C)c(CN2C3CCCC2CCC3)c(C)n1 ZINC000679770154 1130555455 /nfs/dbraw/zinc/55/54/55/1130555455.db2.gz OQAPFSYNKVQEJA-UHFFFAOYSA-N 0 1 274.408 3.614 20 0 CHADMN CN(C)Cc1cccc(-c2ccc(F)c(F)c2F)c1F ZINC001240993686 1130557454 /nfs/dbraw/zinc/55/74/54/1130557454.db2.gz MTBOKTWPCCXENW-UHFFFAOYSA-N 0 1 283.268 3.972 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1cccc(-c2ccncc2)c1 ZINC001137387590 1130557500 /nfs/dbraw/zinc/55/75/00/1130557500.db2.gz VBMBTMSSVMFNMP-CXAGYDPISA-N 0 1 270.351 3.681 20 0 CHADMN C[C@@H]1COc2ccccc2CN1Cc1cccc(N(C)C)c1 ZINC000679872819 1130560936 /nfs/dbraw/zinc/56/09/36/1130560936.db2.gz RPXFAJMCPVBHGD-OAHLLOKOSA-N 0 1 296.414 3.536 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H]3CC[C@@H](C)[C@H](C)C3)cc2[nH]1 ZINC001137393364 1130562304 /nfs/dbraw/zinc/56/23/04/1130562304.db2.gz ZPCKRKPTYDHUAQ-NQBHXWOUSA-N 0 1 285.391 3.882 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2ccc(Cl)cc2)n(C)n1 ZINC000793519384 1130562520 /nfs/dbraw/zinc/56/25/20/1130562520.db2.gz QWTIOWAHVLNHLI-NWDGAFQWSA-N 0 1 277.799 3.794 20 0 CHADMN CCCC[C@H](CCC)OC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000758135469 1130600201 /nfs/dbraw/zinc/60/02/01/1130600201.db2.gz NVGLHCVHWYTWKM-QWHCGFSZSA-N 0 1 278.396 3.732 20 0 CHADMN CC[C@H](OC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000758138431 1130600690 /nfs/dbraw/zinc/60/06/90/1130600690.db2.gz OXZTVJXVMBPFNX-CJNGLKHVSA-N 0 1 284.359 3.524 20 0 CHADMN Cc1cc(N2CCC[C@H]2c2ccc(C(C)C)cc2)nc(N)n1 ZINC000758277044 1130604102 /nfs/dbraw/zinc/60/41/02/1130604102.db2.gz OWSAXDGDLCEEKL-INIZCTEOSA-N 0 1 296.418 3.832 20 0 CHADMN O[C@@H](CN1CC2(C1)CCCCC2)c1cccc(Cl)c1 ZINC000759062747 1130633971 /nfs/dbraw/zinc/63/39/71/1130633971.db2.gz NKYVZYMCVCGCNK-HNNXBMFYSA-N 0 1 279.811 3.640 20 0 CHADMN CCN(Cc1cccc(F)c1)C[C@@H](C)C(F)(F)F ZINC000441176265 1130638761 /nfs/dbraw/zinc/63/87/61/1130638761.db2.gz YKLQFXAVPGILBU-SNVBAGLBSA-N 0 1 263.278 3.846 20 0 CHADMN Cc1cc(C(F)(F)F)nn1CN(C)[C@H](C)C(C)(C)C ZINC000811731956 1130642634 /nfs/dbraw/zinc/64/26/34/1130642634.db2.gz LISQXKPNQGVYPV-SNVBAGLBSA-N 0 1 277.334 3.534 20 0 CHADMN CC1(C)CCN1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000759212051 1130644978 /nfs/dbraw/zinc/64/49/78/1130644978.db2.gz QKMGXZHLNHKOJV-LBPRGKRZSA-N 0 1 274.191 3.511 20 0 CHADMN Cc1nc2ccccn2c1CN1Cc2ccccc2[C@@H](C)C1 ZINC000759332636 1130652268 /nfs/dbraw/zinc/65/22/68/1130652268.db2.gz OYUYACFUSVQHTR-AWEZNQCLSA-N 0 1 291.398 3.762 20 0 CHADMN COC1CCC(CC(=O)Nc2cccc(Cl)c2O)CC1 ZINC000759713167 1130671407 /nfs/dbraw/zinc/67/14/07/1130671407.db2.gz JLKCHXHQDPSZPS-UHFFFAOYSA-N 0 1 297.782 3.579 20 0 CHADMN CC(C(=O)Nc1nc2ccc(Cl)cc2[nH]1)=C1CCC1 ZINC001133189414 1130671806 /nfs/dbraw/zinc/67/18/06/1130671806.db2.gz AGBFWJMLUOJTAW-UHFFFAOYSA-N 0 1 275.739 3.655 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccc([C@@H](C)O)cc1 ZINC000780719609 1130688132 /nfs/dbraw/zinc/68/81/32/1130688132.db2.gz IHBHLAIERFPKPF-UONOGXRCSA-N 0 1 284.403 3.548 20 0 CHADMN COCC[C@@H](N[C@H]1CCc2cc(C)ccc21)c1ccco1 ZINC000780744062 1130689967 /nfs/dbraw/zinc/68/99/67/1130689967.db2.gz JQJZEECRKONFQM-DLBZAZTESA-N 0 1 285.387 3.943 20 0 CHADMN CCCc1ccc(O[C@H]2CCCN(CC)C2)c(C(C)=O)c1 ZINC001234910222 1130691051 /nfs/dbraw/zinc/69/10/51/1130691051.db2.gz KMDSMCKDPLFCPI-INIZCTEOSA-N 0 1 289.419 3.705 20 0 CHADMN CC[N@H+]1CC[C@H](Oc2ccc(C)c(Cl)c2Cl)C1 ZINC001234932467 1130693524 /nfs/dbraw/zinc/69/35/24/1130693524.db2.gz SSZXZFXNJZEZLL-JTQLQIEISA-N 0 1 274.191 3.775 20 0 CHADMN CCN1CC[C@H](Oc2ccc(C)c(Cl)c2Cl)C1 ZINC001234932467 1130693525 /nfs/dbraw/zinc/69/35/25/1130693525.db2.gz SSZXZFXNJZEZLL-JTQLQIEISA-N 0 1 274.191 3.775 20 0 CHADMN Cc1nnc(-c2ccc(CN(C)Cc3cccs3)cc2)o1 ZINC001235050418 1130706762 /nfs/dbraw/zinc/70/67/62/1130706762.db2.gz FFYCHDKONQDAIQ-UHFFFAOYSA-N 0 1 299.399 3.739 20 0 CHADMN Cc1ncccc1CN(C)Cc1cccc(N2CCCC2)c1 ZINC001235100092 1130710934 /nfs/dbraw/zinc/71/09/34/1130710934.db2.gz YEPDVSMITDSXKQ-UHFFFAOYSA-N 0 1 295.430 3.622 20 0 CHADMN Cc1ncc2c(n1)CCC[C@@H]2N[C@@H]1CCc2c1cccc2F ZINC000747815069 1130714048 /nfs/dbraw/zinc/71/40/48/1130714048.db2.gz ARJNERQYNKNJEZ-ZWKOTPCHSA-N 0 1 297.377 3.579 20 0 CHADMN FC(F)(F)c1cncc(CN2CCCCCCC2)c1 ZINC000812821729 1130716089 /nfs/dbraw/zinc/71/60/89/1130716089.db2.gz NQPQVCIUEDNDAL-UHFFFAOYSA-N 0 1 272.314 3.867 20 0 CHADMN Fc1cc(F)c2c(c1)CC[C@H](N1CCCC[C@@H](F)C1)C2 ZINC001170690150 1130724690 /nfs/dbraw/zinc/72/46/90/1130724690.db2.gz PELMIXCHMBNAKD-OCCSQVGLSA-N 0 1 283.337 3.646 20 0 CHADMN CC(C)OC1CCN(Cc2cc3cccc(F)c3[nH]2)CC1 ZINC001235243999 1130725771 /nfs/dbraw/zinc/72/57/71/1130725771.db2.gz ALNCFTKXSCJARO-UHFFFAOYSA-N 0 1 290.382 3.696 20 0 CHADMN CCc1cccc(CN2CC[C@H](Oc3ccccc3C)C2)n1 ZINC001235252729 1130727118 /nfs/dbraw/zinc/72/71/18/1130727118.db2.gz DEXZZCGTKAYURE-SFHVURJKSA-N 0 1 296.414 3.606 20 0 CHADMN Cc1cc(C)c(-c2cc(C)c(C(=O)[O-])c(C)c2)c(C)[nH+]1 ZINC001244949580 1130727953 /nfs/dbraw/zinc/72/79/53/1130727953.db2.gz PRPSAEMQNINKLU-UHFFFAOYSA-N 0 1 269.344 3.989 20 0 CHADMN CCc1cccc(CN2Cc3ccccc3C[C@H]2C)n1 ZINC001235265602 1130730966 /nfs/dbraw/zinc/73/09/66/1130730966.db2.gz XWBJGWTZJOGDKK-CQSZACIVSA-N 0 1 266.388 3.591 20 0 CHADMN Cc1cnc(F)c(CN2CCCC3(CCCC3)C2)c1 ZINC001235327684 1130733938 /nfs/dbraw/zinc/73/39/38/1130733938.db2.gz HMIDLLOJENKGPE-UHFFFAOYSA-N 0 1 262.372 3.685 20 0 CHADMN Cc1cc(OC(C)C)ncc1CN1CCCC[C@](C)(F)C1 ZINC001235417070 1130740376 /nfs/dbraw/zinc/74/03/76/1130740376.db2.gz JOTFDDNVCUNGQW-KRWDZBQOSA-N 0 1 294.414 3.891 20 0 CHADMN CCCCN(CCCC)Cc1ncc(Cl)cn1 ZINC001235412357 1130741048 /nfs/dbraw/zinc/74/10/48/1130741048.db2.gz DUEWUVHKRKIIQF-UHFFFAOYSA-N 0 1 255.793 3.532 20 0 CHADMN COc1cc(CN(C)Cc2ccccc2C)cc(F)c1F ZINC001235450012 1130745092 /nfs/dbraw/zinc/74/50/92/1130745092.db2.gz ZKQQLJUMQLJMAJ-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN COC(C[N@H+]1CCCCC[C@@H]1/C=C\c1cccs1)OC ZINC000781915597 1130747029 /nfs/dbraw/zinc/74/70/29/1130747029.db2.gz DJNNNLDUYIVEMD-CFYYFVFUSA-N 0 1 295.448 3.625 20 0 CHADMN Cc1cc(Cl)cc(CN2CC[C@H]3CCCO[C@@H]3C2)c1 ZINC001235535015 1130753422 /nfs/dbraw/zinc/75/34/22/1130753422.db2.gz OPHPDATZUIKOSD-GDBMZVCRSA-N 0 1 279.811 3.649 20 0 CHADMN Cc1ncn(C)c1CN(Cc1cccc(C)c1C)C1CC1 ZINC001235554578 1130753632 /nfs/dbraw/zinc/75/36/32/1130753632.db2.gz DNTFTZZQLROGPX-UHFFFAOYSA-N 0 1 283.419 3.510 20 0 CHADMN Cc1ccnc(CN(CC2CC2)C(C)C)c1Cl ZINC001235578721 1130755205 /nfs/dbraw/zinc/75/52/05/1130755205.db2.gz DIRMYGLJVKAZSK-UHFFFAOYSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1ccnc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1Cl ZINC001235577981 1130755401 /nfs/dbraw/zinc/75/54/01/1130755401.db2.gz YDWFWGLTPGWLHL-PHIMTYICSA-N 0 1 286.753 3.521 20 0 CHADMN CCCN(CCC)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000782150310 1130756605 /nfs/dbraw/zinc/75/66/05/1130756605.db2.gz NLUOMSZJEBADQI-UHFFFAOYSA-N 0 1 297.752 3.714 20 0 CHADMN Cc1ccnc(CN(C)C[C@@H]2CC2(C)C)c1Cl ZINC001235589763 1130758144 /nfs/dbraw/zinc/75/81/44/1130758144.db2.gz ZJOSGQORSKTIKW-NSHDSACASA-N 0 1 252.789 3.521 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccccc21)c1cn2c(n1)CCCC2 ZINC000813322741 1130758697 /nfs/dbraw/zinc/75/86/97/1130758697.db2.gz HAUUQZOCOFMXNM-CZUORRHYSA-N 0 1 281.403 3.558 20 0 CHADMN C[C@H](N[C@H]1CCCc2ccccc21)c1cn2c(n1)CCCC2 ZINC000813323920 1130758931 /nfs/dbraw/zinc/75/89/31/1130758931.db2.gz WXLOPEFTDKVSNC-YOEHRIQHSA-N 0 1 295.430 3.948 20 0 CHADMN C[C@H]1CCN(Cc2cccn2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001235632456 1130760850 /nfs/dbraw/zinc/76/08/50/1130760850.db2.gz OZWVACHZLAYRCA-KBPBESRZSA-N 0 1 292.423 3.892 20 0 CHADMN C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ccc(O)c(F)c2)C1 ZINC000813336936 1130761181 /nfs/dbraw/zinc/76/11/81/1130761181.db2.gz LCSQRQUSOSUSGI-WBMJQRKESA-N 0 1 286.350 3.509 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1nc3ccc(F)cc3[nH]1)CC2 ZINC001235681484 1130767823 /nfs/dbraw/zinc/76/78/23/1130767823.db2.gz BOSVRHJRJUXRGP-UHFFFAOYSA-N 0 1 295.361 3.569 20 0 CHADMN CCN(C)Cc1ccc(Cl)nc1NC(=O)OC(C)(C)C ZINC001235708923 1130772406 /nfs/dbraw/zinc/77/24/06/1130772406.db2.gz JFVQEXZBZCNAEW-UHFFFAOYSA-N 0 1 299.802 3.534 20 0 CHADMN CCc1ccccc1C[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000782474784 1130778619 /nfs/dbraw/zinc/77/86/19/1130778619.db2.gz MHIPOSRZSKALHO-KRWDZBQOSA-N 0 1 270.376 3.883 20 0 CHADMN CCc1ccccc1CN1CCC[C@H]1c1cc(C)on1 ZINC000782474784 1130778628 /nfs/dbraw/zinc/77/86/28/1130778628.db2.gz MHIPOSRZSKALHO-KRWDZBQOSA-N 0 1 270.376 3.883 20 0 CHADMN Cc1oncc1CN[C@H](CC1CC1)c1ccccc1 ZINC000782529389 1130782194 /nfs/dbraw/zinc/78/21/94/1130782194.db2.gz MNPMHRIORPPWMP-MRXNPFEDSA-N 0 1 256.349 3.614 20 0 CHADMN CCOc1cc(CN2CCC(SC)CC2)ccc1F ZINC001235803223 1130782262 /nfs/dbraw/zinc/78/22/62/1130782262.db2.gz LKYJJVRRASPOEB-UHFFFAOYSA-N 0 1 283.412 3.552 20 0 CHADMN CC(C)c1ccccc1CNCc1cn2ccccc2n1 ZINC000782539178 1130782820 /nfs/dbraw/zinc/78/28/20/1130782820.db2.gz FXOAELOZFLYMSF-UHFFFAOYSA-N 0 1 279.387 3.748 20 0 CHADMN CCOc1cc(CN2CCC(C(F)F)CC2)ccc1F ZINC001235803999 1130782835 /nfs/dbraw/zinc/78/28/35/1130782835.db2.gz XSIHASLSIBZWOV-UHFFFAOYSA-N 0 1 287.325 3.702 20 0 CHADMN FC(F)(F)Oc1ccc(-c2cccn3cncc23)cc1 ZINC001235938426 1130810514 /nfs/dbraw/zinc/81/05/14/1130810514.db2.gz PQIJYOIWUIOKAV-UHFFFAOYSA-N 0 1 278.233 3.900 20 0 CHADMN FC(F)(F)Oc1ccc(-c2cccc3[nH]nnc32)cc1 ZINC001235939317 1130810897 /nfs/dbraw/zinc/81/08/97/1130810897.db2.gz XUURXTAOCKOQKG-UHFFFAOYSA-N 0 1 279.221 3.524 20 0 CHADMN Fc1ccc([C@@H](NC[C@H]2CCC=CO2)c2ccccn2)cc1 ZINC000783308329 1130813554 /nfs/dbraw/zinc/81/35/54/1130813554.db2.gz CSSAPCAIZSWKFU-SJLPKXTDSA-N 0 1 298.361 3.592 20 0 CHADMN Fc1ccc([C@H](NC[C@@H]2CCC=CO2)c2ccccn2)cc1 ZINC000783308333 1130814072 /nfs/dbraw/zinc/81/40/72/1130814072.db2.gz CSSAPCAIZSWKFU-WMZOPIPTSA-N 0 1 298.361 3.592 20 0 CHADMN COc1cc(-c2c(F)cc(F)c(O)c2F)ccc1F ZINC001235995823 1130825845 /nfs/dbraw/zinc/82/58/45/1130825845.db2.gz QHLUWJOVTGUVHV-UHFFFAOYSA-N 0 1 272.197 3.624 20 0 CHADMN Nc1nc2ccc(-c3c(F)cc(F)c(O)c3F)cc2s1 ZINC001235997835 1130826792 /nfs/dbraw/zinc/82/67/92/1130826792.db2.gz SYNDTIMPUWXASX-UHFFFAOYSA-N 0 1 296.273 3.668 20 0 CHADMN CCOc1ccccc1-c1c(F)cc(F)c(O)c1F ZINC001235996840 1130827135 /nfs/dbraw/zinc/82/71/35/1130827135.db2.gz ZERRAXHTZBBLRI-UHFFFAOYSA-N 0 1 268.234 3.875 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc(C3OCCO3)cc2)c1F ZINC001235997689 1130827305 /nfs/dbraw/zinc/82/73/05/1130827305.db2.gz GYNXTTJFRFEAQY-UHFFFAOYSA-N 0 1 296.244 3.522 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc3c(c2)CCCN3)c1F ZINC001235997729 1130827476 /nfs/dbraw/zinc/82/74/76/1130827476.db2.gz SBYGLMDHGFNIIP-UHFFFAOYSA-N 0 1 279.261 3.835 20 0 CHADMN COc1cc(-c2c(F)cc(F)c(O)c2F)cc(C)c1F ZINC001235999265 1130827762 /nfs/dbraw/zinc/82/77/62/1130827762.db2.gz BHGUGRDDSYGRNF-UHFFFAOYSA-N 0 1 286.224 3.933 20 0 CHADMN Oc1c(F)cc(F)c(-c2cc(F)cc3nccnc32)c1F ZINC001236001552 1130828844 /nfs/dbraw/zinc/82/88/44/1130828844.db2.gz AFZHESQBWHFIPI-UHFFFAOYSA-N 0 1 294.207 3.559 20 0 CHADMN Oc1c(F)cc(F)c(-c2cncc(C3CC3)c2)c1F ZINC001236001578 1130829840 /nfs/dbraw/zinc/82/98/40/1130829840.db2.gz AOHNLRSPUPHWLB-UHFFFAOYSA-N 0 1 265.234 3.749 20 0 CHADMN O=C1C[C@H](c2ccccc2)N1CN1CCCC2(CCCC2)C1 ZINC000783541428 1130836635 /nfs/dbraw/zinc/83/66/35/1130836635.db2.gz BENCSZRZWHDEKO-QGZVFWFLSA-N 0 1 298.430 3.574 20 0 CHADMN OCc1ccc(C(F)(F)F)cc1-c1cccn2cncc12 ZINC001236060583 1130843786 /nfs/dbraw/zinc/84/37/86/1130843786.db2.gz SNIISHRVEDWJKO-UHFFFAOYSA-N 0 1 292.260 3.512 20 0 CHADMN Cc1nc2cc(N[C@@H](C)c3cccc(N)c3)ccc2[nH]1 ZINC001170734808 1130849221 /nfs/dbraw/zinc/84/92/21/1130849221.db2.gz WPDIFSZHEIMHEX-JTQLQIEISA-N 0 1 266.348 3.627 20 0 CHADMN Cc1ccccc1[C@H](C)OC(=O)c1c(F)cc(O)cc1F ZINC000783719268 1130850788 /nfs/dbraw/zinc/85/07/88/1130850788.db2.gz YOITXVFSOREOSQ-JTQLQIEISA-N 0 1 292.281 3.897 20 0 CHADMN CSc1cc(C)cc(CN2CCc3cc(N)ccc3C2)c1 ZINC001236108734 1130866274 /nfs/dbraw/zinc/86/62/74/1130866274.db2.gz MQZMXUMPDFIERB-UHFFFAOYSA-N 0 1 298.455 3.857 20 0 CHADMN Fc1cccc(CNCc2ccc3ccccc3c2)n1 ZINC000747936233 1130867124 /nfs/dbraw/zinc/86/71/24/1130867124.db2.gz RVYFZKFURYMYQF-UHFFFAOYSA-N 0 1 266.319 3.664 20 0 CHADMN CCCCCC(C)(C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814459508 1130874747 /nfs/dbraw/zinc/87/47/47/1130874747.db2.gz UWNNUVARERQAOR-UHFFFAOYSA-N 0 1 295.427 3.752 20 0 CHADMN CCCCCC(C)(C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814459508 1130874749 /nfs/dbraw/zinc/87/47/49/1130874749.db2.gz UWNNUVARERQAOR-UHFFFAOYSA-N 0 1 295.427 3.752 20 0 CHADMN Nc1cccc(CN2CCC[C@@H]2c2c(F)cccc2F)c1 ZINC001236189841 1130881408 /nfs/dbraw/zinc/88/14/08/1130881408.db2.gz PBSDICZTABCFOE-MRXNPFEDSA-N 0 1 288.341 3.884 20 0 CHADMN C[C@@H](c1ccncc1)N(C)Cc1cncc2ccccc21 ZINC000784223806 1130891551 /nfs/dbraw/zinc/89/15/51/1130891551.db2.gz UEUBSGVQTYOZIY-AWEZNQCLSA-N 0 1 277.371 3.823 20 0 CHADMN CN(Cc1cccnc1Cl)C[C@@H]1CC=CCC1 ZINC000784385355 1130903202 /nfs/dbraw/zinc/90/32/02/1130903202.db2.gz KWVCRIFCNYIUQE-GFCCVEGCSA-N 0 1 250.773 3.523 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)[C@@H](F)C(C)C)c2C1 ZINC000784443744 1130903861 /nfs/dbraw/zinc/90/38/61/1130903861.db2.gz FVXCZMLMLPAWDT-INIZCTEOSA-N 0 1 292.398 3.591 20 0 CHADMN CC/C(C)=C(\C)C(=O)Nc1ccccc1-c1cn[nH]c1 ZINC000784478813 1130905970 /nfs/dbraw/zinc/90/59/70/1130905970.db2.gz ACHGWJKATAGNRR-VAWYXSNFSA-N 0 1 269.348 3.762 20 0 CHADMN COc1cc(F)c(-c2ccc3nc[nH]c3c2C)cc1OC ZINC001236308798 1130912535 /nfs/dbraw/zinc/91/25/35/1130912535.db2.gz XGGIKVOIILYYMP-UHFFFAOYSA-N 0 1 286.306 3.695 20 0 CHADMN CCCC=Nc1c(Br)ncnc1C(F)(F)F ZINC001170767195 1130918443 /nfs/dbraw/zinc/91/84/43/1130918443.db2.gz OVTXAVAWMHZKKW-ONEGZZNKSA-N 0 1 296.090 3.594 20 0 CHADMN CSc1ccnc(-c2c(F)ccc(C)c2O)c1F ZINC001236393988 1130926736 /nfs/dbraw/zinc/92/67/36/1130926736.db2.gz ZKIMVHDHWXCCGB-UHFFFAOYSA-N 0 1 267.300 3.763 20 0 CHADMN COc1c(C)cc([C@H](C)NCc2cc(C)n[nH]2)cc1Cl ZINC000796772280 1130930897 /nfs/dbraw/zinc/93/08/97/1130930897.db2.gz QOJYCRXLXBPYSC-NSHDSACASA-N 0 1 293.798 3.539 20 0 CHADMN Cc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1OC(F)F ZINC000796879033 1130942755 /nfs/dbraw/zinc/94/27/55/1130942755.db2.gz ILJXXNNAPQTMOK-GFCCVEGCSA-N 0 1 293.317 3.809 20 0 CHADMN COc1cc(C)c(N[C@H]2CCCc3[nH]ncc32)cc1C ZINC000796968111 1130949693 /nfs/dbraw/zinc/94/96/93/1130949693.db2.gz PEVPERKJWWSTQC-ZDUSSCGKSA-N 0 1 271.364 3.525 20 0 CHADMN C[C@H]1CCC[C@H](C)N(Cc2ccnc(Br)c2)C1 ZINC000815053632 1130952201 /nfs/dbraw/zinc/95/22/01/1130952201.db2.gz UUUVQRJEWJBMGK-RYUDHWBXSA-N 0 1 297.240 3.855 20 0 CHADMN CC(C)C[C@H]1CCCN1Cc1ccnc(Br)c1 ZINC000815031624 1130953384 /nfs/dbraw/zinc/95/33/84/1130953384.db2.gz YRRIRXKUVRWOLA-CYBMUJFWSA-N 0 1 297.240 3.855 20 0 CHADMN C[C@H]1CCN(C[C@H](O)c2cccc3ccccc32)C[C@@H]1F ZINC000815087839 1130957792 /nfs/dbraw/zinc/95/77/92/1130957792.db2.gz QCLNNMHRBGPZKG-KKXDTOCCSA-N 0 1 287.378 3.553 20 0 CHADMN Cc1cccc([C@H](C)NCc2cnn(C)c2Cl)c1C ZINC000815125109 1130960055 /nfs/dbraw/zinc/96/00/55/1130960055.db2.gz UJZVJABBDZQNDX-LBPRGKRZSA-N 0 1 277.799 3.541 20 0 CHADMN C[C@@H](N[C@@H](C)CSC(C)(C)C)c1c(F)cncc1F ZINC000797125672 1130963991 /nfs/dbraw/zinc/96/39/91/1130963991.db2.gz JYKHZXYRFOCELG-VHSXEESVSA-N 0 1 288.407 3.931 20 0 CHADMN C[C@@H]1CN(Cc2c(-c3ccccc3)nc3sccn23)[C@@H]1C ZINC000815163140 1130963740 /nfs/dbraw/zinc/96/37/40/1130963740.db2.gz LWROFDMIHVLXJO-CHWSQXEVSA-N 0 1 297.427 3.903 20 0 CHADMN CCOc1ccc(C)c(F)c1-c1cncc2nc(C)[nH]c21 ZINC001236537916 1130968441 /nfs/dbraw/zinc/96/84/41/1130968441.db2.gz AHBAQGXPPXDSSG-UHFFFAOYSA-N 0 1 285.322 3.780 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1ccc(F)c(N)c1C ZINC001245461413 1130980887 /nfs/dbraw/zinc/98/08/87/1130980887.db2.gz PIYLPLAIMCWIIT-UHFFFAOYSA-N 0 1 255.296 3.568 20 0 CHADMN Cc1cc(Cl)nc(Cl)c1CN(C)C(C)(C)C ZINC001236605788 1130983804 /nfs/dbraw/zinc/98/38/04/1130983804.db2.gz SOXNFXOISBOBGU-UHFFFAOYSA-N 0 1 261.196 3.927 20 0 CHADMN Clc1nccnc1CN1CCC[C@@H](c2ccccc2)C1 ZINC001236611044 1130984321 /nfs/dbraw/zinc/98/43/21/1130984321.db2.gz JUJJDRFUVUWFOR-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1cc(Cl)cc(CN2CCC23CCCCC3)n1 ZINC001236638547 1130986330 /nfs/dbraw/zinc/98/63/30/1130986330.db2.gz GGAKRGNOIPQTBD-UHFFFAOYSA-N 0 1 264.800 3.952 20 0 CHADMN Cc1ccc(CN2CCC(=O)[C@@H](F)CC2)c2ccccc12 ZINC001138013323 1130990270 /nfs/dbraw/zinc/99/02/70/1130990270.db2.gz LHOQUAIKBSHJGX-KRWDZBQOSA-N 0 1 285.362 3.651 20 0 CHADMN Fc1c(Br)cccc1-c1cccc2[nH]nnc21 ZINC001245484677 1130990568 /nfs/dbraw/zinc/99/05/68/1130990568.db2.gz SRUBDFUTRZCMOT-UHFFFAOYSA-N 0 1 292.111 3.527 20 0 CHADMN COc1cc2ccccc2cc1CN(C)C[C@H]1CCCCO1 ZINC001236676200 1130991238 /nfs/dbraw/zinc/99/12/38/1130991238.db2.gz UQJLXEUWJNKAEW-GOSISDBHSA-N 0 1 299.414 3.849 20 0 CHADMN CC(C)[C@@H]1CN(Cc2cccc3sccc32)CCO1 ZINC001236684712 1130993838 /nfs/dbraw/zinc/99/38/38/1130993838.db2.gz WCOWLMHLHUUVCM-HNNXBMFYSA-N 0 1 275.417 3.758 20 0 CHADMN CCCC1CC[NH+](Cc2ccc(F)c([O-])c2)CC1 ZINC001236706385 1130995599 /nfs/dbraw/zinc/99/55/99/1130995599.db2.gz VNCWDGFIPKKAHH-UHFFFAOYSA-N 0 1 251.345 3.543 20 0 CHADMN Brc1cccc2c(CN3CCCCC3)c[nH]c21 ZINC000257964650 1130995964 /nfs/dbraw/zinc/99/59/64/1130995964.db2.gz YVVHUHXJOXSMLT-UHFFFAOYSA-N 0 1 293.208 3.916 20 0 CHADMN Cc1c(F)ccc(CN2CC[C@]3(C2)CCCCO3)c1Cl ZINC001236707455 1130996261 /nfs/dbraw/zinc/99/62/61/1130996261.db2.gz DAUHLEHWATYQSI-INIZCTEOSA-N 0 1 297.801 3.933 20 0 CHADMN CC[C@H]1CCCCN1Cc1ccc(Br)c(O)c1 ZINC001236694320 1130996655 /nfs/dbraw/zinc/99/66/55/1130996655.db2.gz GLVXQCMCPZTGMZ-LBPRGKRZSA-N 0 1 298.224 3.919 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1ccc(F)c(O)c1 ZINC001236709799 1130997048 /nfs/dbraw/zinc/99/70/48/1130997048.db2.gz IFFKFGGPBCZSJM-VMPITWQZSA-N 0 1 271.335 3.677 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cnccc2C)cc(Cl)n1 ZINC000797600736 1130997483 /nfs/dbraw/zinc/99/74/83/1130997483.db2.gz DIDWTAURWORVKT-LBPRGKRZSA-N 0 1 275.783 3.598 20 0 CHADMN Cc1c(F)ccc(CN2C[C@@H]3CCCC(=O)[C@H]3C2)c1Cl ZINC001236712932 1130997839 /nfs/dbraw/zinc/99/78/39/1130997839.db2.gz CAGGQUZGEKTGRV-AAEUAGOBSA-N 0 1 295.785 3.589 20 0 CHADMN Fc1cc(OC(F)F)ccc1C[N@H+]1CCC[C@H](F)CC1 ZINC001236719739 1130998933 /nfs/dbraw/zinc/99/89/33/1130998933.db2.gz ZCULKEVYNRBCPT-NSHDSACASA-N 0 1 291.288 3.751 20 0 CHADMN Fc1cc(OC(F)F)ccc1CN1CCC[C@H](F)CC1 ZINC001236719739 1130998938 /nfs/dbraw/zinc/99/89/38/1130998938.db2.gz ZCULKEVYNRBCPT-NSHDSACASA-N 0 1 291.288 3.751 20 0 CHADMN Oc1cccc2c1CCN(Cc1cccc3occc31)C2 ZINC001236735859 1131001983 /nfs/dbraw/zinc/00/19/83/1131001983.db2.gz VHOJRNOONAWOHR-UHFFFAOYSA-N 0 1 279.339 3.697 20 0 CHADMN CO[C@H](CN[C@@H](C)c1cccc(C2CC2)c1)C(F)(F)F ZINC000815605298 1131011623 /nfs/dbraw/zinc/01/16/23/1131011623.db2.gz QGFVKKYYYGTZHZ-IINYFYTJSA-N 0 1 287.325 3.792 20 0 CHADMN COc1cc(CN2[C@@H](C)CCC[C@@H]2C)c(F)cc1F ZINC001236816344 1131013445 /nfs/dbraw/zinc/01/34/45/1131013445.db2.gz YJEQBFXFVJMLNM-QWRGUYRKSA-N 0 1 269.335 3.736 20 0 CHADMN CC1=CCCN(C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000797998889 1131020042 /nfs/dbraw/zinc/02/00/42/1131020042.db2.gz MIADEPXESIXLFD-AWEZNQCLSA-N 0 1 286.202 3.679 20 0 CHADMN Cc1cccc(CN2CC[C@H]3CCCO[C@@H]3C2)c1Cl ZINC001236855932 1131023018 /nfs/dbraw/zinc/02/30/18/1131023018.db2.gz JUOGJLYRQWOAAY-UKRRQHHQSA-N 0 1 279.811 3.649 20 0 CHADMN Fc1ccc(CN2CCCC[C@H](F)C2)c2occc21 ZINC001236889853 1131028017 /nfs/dbraw/zinc/02/80/17/1131028017.db2.gz GTHRIDXZMBCQED-LBPRGKRZSA-N 0 1 265.303 3.896 20 0 CHADMN Clc1ccccc1-c1ccc(CN2CCC2)cn1 ZINC001237013346 1131035745 /nfs/dbraw/zinc/03/57/45/1131035745.db2.gz OFFJYSBUEBMWQO-UHFFFAOYSA-N 0 1 258.752 3.608 20 0 CHADMN Fc1ccc(C[N@H+]2CCC23CCCC3)cc1N1CCCC1 ZINC001237094302 1131049514 /nfs/dbraw/zinc/04/95/14/1131049514.db2.gz BNLBPGFOPCJFIQ-UHFFFAOYSA-N 0 1 288.410 3.944 20 0 CHADMN CC(C)[C@@H](C(=O)O[C@@H](C)c1cccc(Cl)c1)N(C)C ZINC000798820174 1131051605 /nfs/dbraw/zinc/05/16/05/1131051605.db2.gz VNWBHWCVAPIQRB-FZMZJTMJSA-N 0 1 283.799 3.530 20 0 CHADMN FC1CCN(Cc2ccnc3c(Cl)cccc23)CC1 ZINC001237145110 1131057253 /nfs/dbraw/zinc/05/72/53/1131057253.db2.gz WFDAQZDHCHFQEL-UHFFFAOYSA-N 0 1 278.758 3.822 20 0 CHADMN CCCCC1CCN(Cc2sc(=O)[nH]c2Cl)CC1 ZINC001237158867 1131061287 /nfs/dbraw/zinc/06/12/87/1131061287.db2.gz PDUUADPAOHUHTE-UHFFFAOYSA-N 0 1 288.844 3.904 20 0 CHADMN O=c1[nH]c(Cl)c(CN2CCC3(CCCC3)CC2)s1 ZINC001237157547 1131062654 /nfs/dbraw/zinc/06/26/54/1131062654.db2.gz HMLSOCPZZLBMPT-UHFFFAOYSA-N 0 1 286.828 3.658 20 0 CHADMN O=c1[n-]c(Cl)c(C[NH+]2CCC3(CCCC3)CC2)s1 ZINC001237157547 1131062661 /nfs/dbraw/zinc/06/26/61/1131062661.db2.gz HMLSOCPZZLBMPT-UHFFFAOYSA-N 0 1 286.828 3.658 20 0 CHADMN Oc1ccc(C2CC[NH+](Cc3occc3[S-])CC2)cc1 ZINC001237183886 1131063992 /nfs/dbraw/zinc/06/39/92/1131063992.db2.gz LXCJDTHTJPVZTQ-UHFFFAOYSA-N 0 1 289.400 3.654 20 0 CHADMN Cc1ccc(CN(C)Cc2sc(=O)[nH]c2Cl)cc1C ZINC001237169536 1131064418 /nfs/dbraw/zinc/06/44/18/1131064418.db2.gz PLIGNZYAAMHKIT-UHFFFAOYSA-N 0 1 296.823 3.751 20 0 CHADMN Fc1ccc(C[C@H]2CCC[N@@H+]2Cc2occc2[S-])cc1 ZINC001237186219 1131067437 /nfs/dbraw/zinc/06/74/37/1131067437.db2.gz JPDGFCUJPPSJQL-CQSZACIVSA-N 0 1 291.391 3.915 20 0 CHADMN Fc1ccc(C[C@H]2CCC[N@H+]2Cc2occc2[S-])cc1 ZINC001237186219 1131067441 /nfs/dbraw/zinc/06/74/41/1131067441.db2.gz JPDGFCUJPPSJQL-CQSZACIVSA-N 0 1 291.391 3.915 20 0 CHADMN Fc1ccc([C@H]2CC[N@H+](Cc3occc3[S-])C2)cc1 ZINC001237193276 1131067983 /nfs/dbraw/zinc/06/79/83/1131067983.db2.gz ZZLRWILZORVBSM-LBPRGKRZSA-N 0 1 277.364 3.697 20 0 CHADMN Fc1ccc([C@H]2CC[N@@H+](Cc3occc3[S-])C2)cc1 ZINC001237193276 1131067987 /nfs/dbraw/zinc/06/79/87/1131067987.db2.gz ZZLRWILZORVBSM-LBPRGKRZSA-N 0 1 277.364 3.697 20 0 CHADMN Clc1cccc(CN2CCNC3=CCCC[C@@H]32)c1Cl ZINC001237217483 1131069815 /nfs/dbraw/zinc/06/98/15/1131069815.db2.gz AMNFPUVYMSXYDA-AWEZNQCLSA-N 0 1 297.229 3.835 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1ccc2cccccc1-2 ZINC001237193568 1131069911 /nfs/dbraw/zinc/06/99/11/1131069911.db2.gz QUIZQMFWPHRYLF-SFHVURJKSA-N 0 1 267.372 3.735 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1cnc(Cl)cn1 ZINC000799126538 1131071860 /nfs/dbraw/zinc/07/18/60/1131071860.db2.gz GAGLIYHQIXUKCR-ZDUSSCGKSA-N 0 1 267.804 3.675 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1cnc(Cl)cn1 ZINC000799123155 1131072101 /nfs/dbraw/zinc/07/21/01/1131072101.db2.gz QBQOJLIHJLVWCO-OCCSQVGLSA-N 0 1 287.794 3.508 20 0 CHADMN CN(CCF)Cc1ccccc1CCc1ccccc1 ZINC001237294520 1131078923 /nfs/dbraw/zinc/07/89/23/1131078923.db2.gz KWMPFLFDDKISOQ-UHFFFAOYSA-N 0 1 271.379 3.873 20 0 CHADMN C[C@@H]1CCCCCN1Cc1ccncc1C(F)(F)F ZINC001237290562 1131079100 /nfs/dbraw/zinc/07/91/00/1131079100.db2.gz KVLYDNFFIKCRES-LLVKDONJSA-N 0 1 272.314 3.865 20 0 CHADMN Cc1cc(Br)c(CN(C)C2CCCC2)cc1O ZINC001237305259 1131080530 /nfs/dbraw/zinc/08/05/30/1131080530.db2.gz XADFWGKENNNEKY-UHFFFAOYSA-N 0 1 298.224 3.838 20 0 CHADMN Cc1cc(C)cc(NC(=O)c2[nH]cnc2C(C)(C)C)c1 ZINC001135544459 1131080881 /nfs/dbraw/zinc/08/08/81/1131080881.db2.gz ZDGZEEWOKPNKNK-UHFFFAOYSA-N 0 1 271.364 3.576 20 0 CHADMN Cc1cc(F)cc(C)c1CN1CCN(c2ccccc2)CC1 ZINC001237315382 1131081511 /nfs/dbraw/zinc/08/15/11/1131081511.db2.gz JOSHILBDKRHLIB-UHFFFAOYSA-N 0 1 298.405 3.765 20 0 CHADMN Cc1cc(F)cc(C)c1CN1CCCC[C@H](F)C1 ZINC001237317001 1131081956 /nfs/dbraw/zinc/08/19/56/1131081956.db2.gz GKXMNKDLYJRJOT-ZDUSSCGKSA-N 0 1 253.336 3.767 20 0 CHADMN Cc1cc(F)cc(C)c1CN1CCC[C@H]1c1cnccn1 ZINC001237323819 1131083019 /nfs/dbraw/zinc/08/30/19/1131083019.db2.gz XPFOHDWWEJMFJG-KRWDZBQOSA-N 0 1 285.366 3.570 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@@](C)(O)CC2)c1Cl ZINC001138022539 1131085350 /nfs/dbraw/zinc/08/53/50/1131085350.db2.gz CTINMUUWXWYNBI-OAHLLOKOSA-N 0 1 285.790 3.524 20 0 CHADMN COc1ccc2c(c1)[nH]nc2CN1CCC[C@@H]2CCCC[C@@H]21 ZINC001237390916 1131094688 /nfs/dbraw/zinc/09/46/88/1131094688.db2.gz KSCMFBYJKHZGAB-UGSOOPFHSA-N 0 1 299.418 3.726 20 0 CHADMN C[C@H]1CN(Cc2cnc(Cl)c(F)c2)CCC[C@@H]1C ZINC001237398080 1131094717 /nfs/dbraw/zinc/09/47/17/1131094717.db2.gz OFIZSXAZKFLLQH-QWRGUYRKSA-N 0 1 270.779 3.742 20 0 CHADMN CC(C)N(Cc1cc2ccccn2n1)Cc1ccccc1 ZINC001237440491 1131096647 /nfs/dbraw/zinc/09/66/47/1131096647.db2.gz FKUQVMQZFFMBEE-UHFFFAOYSA-N 0 1 279.387 3.745 20 0 CHADMN O=c1[nH]c2ccccc2c(Cl)c1CN1CCC[C@H]2C[C@H]21 ZINC001237506715 1131105869 /nfs/dbraw/zinc/10/58/69/1131105869.db2.gz ZXOPGDDHSMFCSG-IINYFYTJSA-N 0 1 288.778 3.578 20 0 CHADMN COc1c(C)cccc1CN(C)Cc1ccccc1 ZINC001237506562 1131106168 /nfs/dbraw/zinc/10/61/68/1131106168.db2.gz XDJIHGOLRWZAOZ-UHFFFAOYSA-N 0 1 255.361 3.636 20 0 CHADMN COc1c(C)cccc1CN(C)Cc1ccc(F)cc1 ZINC001237499123 1131106278 /nfs/dbraw/zinc/10/62/78/1131106278.db2.gz BXHORQMBBBZVJX-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN C[C@@H]1CCC[N@H+](Cc2cc(Cl)nc(Cl)c2[O-])CC1 ZINC001237517939 1131109456 /nfs/dbraw/zinc/10/94/56/1131109456.db2.gz GGPMNMORRJUJSZ-SECBINFHSA-N 0 1 289.206 3.716 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cc(Cl)nc(Cl)c2[O-])CC1 ZINC001237517939 1131109458 /nfs/dbraw/zinc/10/94/58/1131109458.db2.gz GGPMNMORRJUJSZ-SECBINFHSA-N 0 1 289.206 3.716 20 0 CHADMN CCn1cncc1CN1CC[C@H](c2ccccc2Cl)C1 ZINC001237591472 1131117326 /nfs/dbraw/zinc/11/73/26/1131117326.db2.gz WQDOIVWTGNKBFJ-ZDUSSCGKSA-N 0 1 289.810 3.546 20 0 CHADMN Cc1cc(C=O)c(O)c(C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC001135653768 1131117775 /nfs/dbraw/zinc/11/77/75/1131117775.db2.gz IIGQKYDLLMICLA-UHFFFAOYSA-N 0 1 297.354 3.889 20 0 CHADMN C[C@H]1CN(Cc2cnc(-c3cccs3)s2)[C@H]1C ZINC000816647189 1131118460 /nfs/dbraw/zinc/11/84/60/1131118460.db2.gz ORZRWHRNTLJXLV-UWVGGRQHSA-N 0 1 264.419 3.712 20 0 CHADMN COc1ccc(CN2C[C@H](C)[C@H]2C)cc1OCC(C)C ZINC000816648371 1131119510 /nfs/dbraw/zinc/11/95/10/1131119510.db2.gz JNOKNXQMUWJURL-UONOGXRCSA-N 0 1 277.408 3.570 20 0 CHADMN C[C@H]1CN(Cc2ccc(CSC(F)F)o2)[C@H]1C ZINC000816647291 1131119660 /nfs/dbraw/zinc/11/96/60/1131119660.db2.gz QJWGJYHXPWKCJP-IUCAKERBSA-N 0 1 261.337 3.576 20 0 CHADMN CCOc1ccc(CN2CCC(C)(F)CC2)c(F)c1 ZINC001237628483 1131121002 /nfs/dbraw/zinc/12/10/02/1131121002.db2.gz VGSOSUHVOVVCNK-UHFFFAOYSA-N 0 1 269.335 3.548 20 0 CHADMN CCOc1ccc(CN2CCC[C@H](F)CC2)c(F)c1 ZINC001237636689 1131121863 /nfs/dbraw/zinc/12/18/63/1131121863.db2.gz GTFCUOYUDAYELA-ZDUSSCGKSA-N 0 1 269.335 3.548 20 0 CHADMN Cc1coc(CN2CCC[C@H]2c2ccccc2C)n1 ZINC001237638145 1131123872 /nfs/dbraw/zinc/12/38/72/1131123872.db2.gz LIMBQCCZIQAXLM-HNNXBMFYSA-N 0 1 256.349 3.629 20 0 CHADMN C[C@H](c1ccccc1)N(C)C(=O)c1ccc(Cl)c(O)c1 ZINC001135689726 1131126841 /nfs/dbraw/zinc/12/68/41/1131126841.db2.gz KZOHUNGZXBISDC-LLVKDONJSA-N 0 1 289.762 3.879 20 0 CHADMN CCCCCC[C@@H](CC)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001116080245 1131127805 /nfs/dbraw/zinc/12/78/05/1131127805.db2.gz WQZDMFYQTBTXGY-MRXNPFEDSA-N 0 1 296.499 3.926 20 0 CHADMN CCCCC1CCC(C(=O)Nc2nc(C(C)C)n[nH]2)CC1 ZINC001116085575 1131128010 /nfs/dbraw/zinc/12/80/10/1131128010.db2.gz SZUZHGFEQHAOKS-UHFFFAOYSA-N 0 1 292.427 3.863 20 0 CHADMN CCCCC1CCC(C(=O)Nc2n[nH]c(C(C)C)n2)CC1 ZINC001116085575 1131128013 /nfs/dbraw/zinc/12/80/13/1131128013.db2.gz SZUZHGFEQHAOKS-UHFFFAOYSA-N 0 1 292.427 3.863 20 0 CHADMN Cc1cc(C)c(Cl)c(CN2CCC(F)CC2)c1 ZINC001237698398 1131128313 /nfs/dbraw/zinc/12/83/13/1131128313.db2.gz OHCSNDJSBYPVJZ-UHFFFAOYSA-N 0 1 255.764 3.891 20 0 CHADMN CCc1ccc(-c2n[nH]c(S[C@@H](C)CC)n2)cc1 ZINC001116109029 1131128564 /nfs/dbraw/zinc/12/85/64/1131128564.db2.gz XVLGCOIHWUPVPG-JTQLQIEISA-N 0 1 261.394 3.925 20 0 CHADMN Cc1cccc(F)c1CNCc1ccc2c(c1)CCC2 ZINC001116136293 1131129890 /nfs/dbraw/zinc/12/98/90/1131129890.db2.gz WCYBGAPIBHXATD-UHFFFAOYSA-N 0 1 269.363 3.913 20 0 CHADMN Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@H](OC(C)C)C2)c1 ZINC001237701957 1131129941 /nfs/dbraw/zinc/12/99/41/1131129941.db2.gz NSZJYUJRGABRAL-HNNXBMFYSA-N 0 1 281.827 3.956 20 0 CHADMN Cc1cc(C)c(Cl)c(C[N@H+](C)[C@H]2CCCOC2)c1 ZINC001237705427 1131130585 /nfs/dbraw/zinc/13/05/85/1131130585.db2.gz OFUIATLPZKDEAW-AWEZNQCLSA-N 0 1 267.800 3.568 20 0 CHADMN Cc1cc(C)c(Cl)c(CN(C)[C@H]2CCCOC2)c1 ZINC001237705427 1131130591 /nfs/dbraw/zinc/13/05/91/1131130591.db2.gz OFUIATLPZKDEAW-AWEZNQCLSA-N 0 1 267.800 3.568 20 0 CHADMN COc1ccc(C)c(CN2Cc3ccccc3C2)c1 ZINC001237713137 1131131991 /nfs/dbraw/zinc/13/19/91/1131131991.db2.gz JVLNDXGOQLBYIC-UHFFFAOYSA-N 0 1 253.345 3.519 20 0 CHADMN CCc1cc(Br)ccc1CN1CCC2(CC2)C1 ZINC001237739491 1131136343 /nfs/dbraw/zinc/13/63/43/1131136343.db2.gz IVFJMNBWAUNEDF-UHFFFAOYSA-N 0 1 294.236 3.997 20 0 CHADMN CCc1cc(CN(C)Cc2ccccn2)ccc1Cl ZINC001237738843 1131136871 /nfs/dbraw/zinc/13/68/71/1131136871.db2.gz NXHLBAUBBLWMQF-UHFFFAOYSA-N 0 1 274.795 3.929 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cc(Cl)cs3)[nH]c2c1 ZINC000817018250 1131137123 /nfs/dbraw/zinc/13/71/23/1131137123.db2.gz VUOKKDZNZPNMRE-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN CCO[C@@H]1CCCN(Cc2ccc(Cl)c(CC)c2)C1 ZINC001237746543 1131138321 /nfs/dbraw/zinc/13/83/21/1131138321.db2.gz SSDYYWNJRPFDTD-OAHLLOKOSA-N 0 1 281.827 3.903 20 0 CHADMN Clc1cccc(-c2cc(CN3CCC[C@H]4C[C@H]43)on2)c1 ZINC001237779554 1131139166 /nfs/dbraw/zinc/13/91/66/1131139166.db2.gz VSIACRXKCKODLQ-BLLLJJGKSA-N 0 1 288.778 3.979 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cccc3c2OCC3)cn1 ZINC001237756010 1131139273 /nfs/dbraw/zinc/13/92/73/1131139273.db2.gz ZTFCYBMACAITQW-GOSISDBHSA-N 0 1 294.398 3.662 20 0 CHADMN Cc1cc(CN2C[C@H]3CCCC[C@@]32c2ccccc2)nn1C ZINC001116303520 1131140046 /nfs/dbraw/zinc/14/00/46/1131140046.db2.gz XVFDJAWEQLEMIC-IEBWSBKVSA-N 0 1 295.430 3.630 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2ccc(F)c(C)n2)cc1 ZINC001237816699 1131144762 /nfs/dbraw/zinc/14/47/62/1131144762.db2.gz DXUNZZNSMWRLRE-ZDUSSCGKSA-N 0 1 288.366 3.731 20 0 CHADMN COc1cccc(CN2CCC(C)CC2)c1Br ZINC001237863156 1131145035 /nfs/dbraw/zinc/14/50/35/1131145035.db2.gz SMJDLNGZVKKMQA-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN Cc1cc(CN2CCC(c3c[nH]c4ccccc34)CC2)[nH]n1 ZINC001116437127 1131145327 /nfs/dbraw/zinc/14/53/27/1131145327.db2.gz JPAXBYKAXGPBAO-UHFFFAOYSA-N 0 1 294.402 3.579 20 0 CHADMN COc1cccc(CN(C)CCC2CC2)c1Br ZINC001237864515 1131145469 /nfs/dbraw/zinc/14/54/69/1131145469.db2.gz KCUZFOKNNBGYRT-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN CCOC(=O)c1ccccc1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC001237878407 1131146650 /nfs/dbraw/zinc/14/66/50/1131146650.db2.gz FGFMIENLZLUSGT-OKILXGFUSA-N 0 1 275.392 3.626 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2[nH]c(-c3ccc[nH]3)cc2OC)C1 ZINC001237880239 1131146707 /nfs/dbraw/zinc/14/67/07/1131146707.db2.gz CFHRKISPFMKYLM-CYBMUJFWSA-N 0 1 287.407 3.640 20 0 CHADMN COc1ccoc1C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001237874197 1131147056 /nfs/dbraw/zinc/14/70/56/1131147056.db2.gz JBJKNOGMWJNSBW-ZDUSSCGKSA-N 0 1 291.778 3.931 20 0 CHADMN COc1ccoc1C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001237874042 1131147602 /nfs/dbraw/zinc/14/76/02/1131147602.db2.gz SIQDPVKABJAPPM-HNNXBMFYSA-N 0 1 289.350 3.634 20 0 CHADMN CCN(C)Cc1ccc(Br)c(Cl)c1F ZINC001237890421 1131148914 /nfs/dbraw/zinc/14/89/14/1131148914.db2.gz ZCUQUAQGDXUSNV-UHFFFAOYSA-N 0 1 280.568 3.693 20 0 CHADMN COc1ccccc1C1(N[C@@H](C)c2cccnc2)CCC1 ZINC001116483384 1131150364 /nfs/dbraw/zinc/15/03/64/1131150364.db2.gz SRZICZBTPPKYRZ-AWEZNQCLSA-N 0 1 282.387 3.820 20 0 CHADMN CCCOc1cc(F)ccc1CN1CC[C@H](OC)C[C@@H]1C ZINC001237913411 1131151134 /nfs/dbraw/zinc/15/11/34/1131151134.db2.gz IPQAEYSGTLPVPF-BBRMVZONSA-N 0 1 295.398 3.614 20 0 CHADMN CCOc1cc(F)cc(CN2CCCC(F)(F)CC2)c1 ZINC001237913009 1131151999 /nfs/dbraw/zinc/15/19/99/1131151999.db2.gz KCFMZYIIHQIUBT-UHFFFAOYSA-N 0 1 287.325 3.846 20 0 CHADMN Fc1cc2[nH]cc(CN3CCCC3)c2cc1Br ZINC001237926233 1131153812 /nfs/dbraw/zinc/15/38/12/1131153812.db2.gz JPJAAYCZMFDPIU-UHFFFAOYSA-N 0 1 297.171 3.665 20 0 CHADMN CCOc1ccc(CN2CCC[C@H](C(F)F)C2)cc1F ZINC001237955142 1131155272 /nfs/dbraw/zinc/15/52/72/1131155272.db2.gz AMCYWWHTZCMDSA-LBPRGKRZSA-N 0 1 287.325 3.702 20 0 CHADMN C[C@H](Cc1cnc[nH]1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001135886467 1131155424 /nfs/dbraw/zinc/15/54/24/1131155424.db2.gz ATTYFHFMEIJLAC-MRVPVSSYSA-N 0 1 298.173 3.534 20 0 CHADMN CCCC(CCC)c1nc([C@H]2CN3CCC2CC3)no1 ZINC001116590651 1131156201 /nfs/dbraw/zinc/15/62/01/1131156201.db2.gz CEYUBSLMINQYSW-AWEZNQCLSA-N 0 1 277.412 3.563 20 0 CHADMN F[C@@H]1CCCCN(Cc2n[nH]c3cc(Cl)ccc32)C1 ZINC001237991699 1131157506 /nfs/dbraw/zinc/15/75/06/1131157506.db2.gz AMTWNRTYCIKIJQ-LLVKDONJSA-N 0 1 281.762 3.540 20 0 CHADMN Cc1ccc(C[N@@H+](C)Cc2cc(F)c([O-])c(Cl)c2)cn1 ZINC001237991462 1131158736 /nfs/dbraw/zinc/15/87/36/1131158736.db2.gz CEYNGVKUPBQOMY-UHFFFAOYSA-N 0 1 294.757 3.520 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2cc(F)c([O-])c(Cl)c2)cn1 ZINC001237991462 1131158739 /nfs/dbraw/zinc/15/87/39/1131158739.db2.gz CEYNGVKUPBQOMY-UHFFFAOYSA-N 0 1 294.757 3.520 20 0 CHADMN CN(CCC1CC1)Cc1csc(-c2ccc(O)cc2)n1 ZINC001237983240 1131158866 /nfs/dbraw/zinc/15/88/66/1131158866.db2.gz NYNPSEFGSTTYKJ-UHFFFAOYSA-N 0 1 288.416 3.748 20 0 CHADMN Oc1c(F)cc(CN2CCC[C@@H](C(F)F)C2)cc1Cl ZINC001237994095 1131159264 /nfs/dbraw/zinc/15/92/64/1131159264.db2.gz BTMAVBOUEFRASY-SECBINFHSA-N 0 1 293.716 3.662 20 0 CHADMN CC[N@H+](Cc1cc(F)c([O-])c(Cl)c1)Cc1ccccn1 ZINC001237994232 1131159582 /nfs/dbraw/zinc/15/95/82/1131159582.db2.gz DELZNVODJJTYIU-UHFFFAOYSA-N 0 1 294.757 3.602 20 0 CHADMN CC[N@@H+](Cc1cc(F)c([O-])c(Cl)c1)Cc1ccccn1 ZINC001237994232 1131159583 /nfs/dbraw/zinc/15/95/83/1131159583.db2.gz DELZNVODJJTYIU-UHFFFAOYSA-N 0 1 294.757 3.602 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC[C@@](C)(O)CC2)c1F ZINC001138030342 1131163044 /nfs/dbraw/zinc/16/30/44/1131163044.db2.gz BFFSFRDFDWMZPW-OAHLLOKOSA-N 0 1 285.790 3.524 20 0 CHADMN COc1ncc(C2CC2)cc1CN1CCCC(F)(F)CC1 ZINC001238034144 1131163574 /nfs/dbraw/zinc/16/35/74/1131163574.db2.gz WAVZUFTYXRBGBK-UHFFFAOYSA-N 0 1 296.361 3.589 20 0 CHADMN C[C@@H](O)c1ccc(CN[C@@H](C)c2ccncc2Cl)cc1 ZINC000817573173 1131170467 /nfs/dbraw/zinc/17/04/67/1131170467.db2.gz BXOUCEFQUUUINP-NWDGAFQWSA-N 0 1 290.794 3.639 20 0 CHADMN CC(=O)C1CCN(Cc2cc(C)c(Cl)c(C)c2)CC1 ZINC001238097592 1131170598 /nfs/dbraw/zinc/17/05/98/1131170598.db2.gz VLUIVJQADIQDPU-UHFFFAOYSA-N 0 1 279.811 3.758 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2ccc(Cl)c(F)c2)n(C)n1 ZINC001117076170 1131171662 /nfs/dbraw/zinc/17/16/62/1131171662.db2.gz PJHDAJLTFZKJQE-WDEREUQCSA-N 0 1 295.789 3.933 20 0 CHADMN Clc1cccc2c1CN(Cc1cccc3cncn31)C2 ZINC001238109279 1131173493 /nfs/dbraw/zinc/17/34/93/1131173493.db2.gz HDMAPJMWADGXCK-UHFFFAOYSA-N 0 1 283.762 3.504 20 0 CHADMN C[N@@H+](Cc1cc(Cl)c([O-])cc1F)C1CCCCC1 ZINC001238142491 1131173956 /nfs/dbraw/zinc/17/39/56/1131173956.db2.gz DUAARKNYUOHQQO-UHFFFAOYSA-N 0 1 271.763 3.949 20 0 CHADMN C[C@H]1c2cccn2CCN1Cc1cc(Cl)c(O)cc1F ZINC001238149604 1131174599 /nfs/dbraw/zinc/17/45/99/1131174599.db2.gz JAQVDQUAKMBZPA-JTQLQIEISA-N 0 1 294.757 3.563 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001238145072 1131174826 /nfs/dbraw/zinc/17/48/26/1131174826.db2.gz BWAOMUWNYHEKRV-WDEREUQCSA-N 0 1 283.774 3.807 20 0 CHADMN CSc1ccccc1[C@@H]1CCCN1Cc1cncnc1C ZINC001238178091 1131175913 /nfs/dbraw/zinc/17/59/13/1131175913.db2.gz KKLROKWPXQKBHT-INIZCTEOSA-N 0 1 299.443 3.844 20 0 CHADMN CC(C)c1cc(CN2CCC[C@@H](CO)C2)ccc1Cl ZINC001238221168 1131183487 /nfs/dbraw/zinc/18/34/87/1131183487.db2.gz YMYWYWBPINPNPZ-CQSZACIVSA-N 0 1 281.827 3.668 20 0 CHADMN CC(C)N(C)Cc1ccc(F)c(C(F)(F)F)c1F ZINC001238248013 1131185887 /nfs/dbraw/zinc/18/58/87/1131185887.db2.gz RVGRBXAYRUJILE-UHFFFAOYSA-N 0 1 267.241 3.824 20 0 CHADMN Fc1ccnc(Cl)c1CN1C2CCCC1CCC2 ZINC001238239819 1131186073 /nfs/dbraw/zinc/18/60/73/1131186073.db2.gz SHYSYQNOBDSJNE-UHFFFAOYSA-N 0 1 268.763 3.781 20 0 CHADMN Cc1cc(CN2CCC[C@@](C)(O)CC2)c(F)cc1Cl ZINC001238298380 1131188527 /nfs/dbraw/zinc/18/85/27/1131188527.db2.gz HHCCWSKQSYZGKD-OAHLLOKOSA-N 0 1 285.790 3.524 20 0 CHADMN Cc1cc(CN2CCC[C@@](C)(CO)CC2)c(F)cc1Cl ZINC001238301001 1131188943 /nfs/dbraw/zinc/18/89/43/1131188943.db2.gz VQNBFIJTEDKHBG-MRXNPFEDSA-N 0 1 299.817 3.772 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CC[C@@](C)(CF)C1 ZINC001238319728 1131189871 /nfs/dbraw/zinc/18/98/71/1131189871.db2.gz XXNUHKZTWXJCDC-INIZCTEOSA-N 0 1 283.362 3.794 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H]2C(C)(C)O)c(F)cc1Cl ZINC001238302691 1131190470 /nfs/dbraw/zinc/19/04/70/1131190470.db2.gz HICXAXYRAKUIPS-AWEZNQCLSA-N 0 1 285.790 3.523 20 0 CHADMN Cc1cc(CN2CCC[C@H]2C(C)(C)O)c(F)cc1Cl ZINC001238302691 1131190474 /nfs/dbraw/zinc/19/04/74/1131190474.db2.gz HICXAXYRAKUIPS-AWEZNQCLSA-N 0 1 285.790 3.523 20 0 CHADMN COc1c(Cl)ccc(F)c1CN1C[C@@H]2CCC[C@H]2C1 ZINC001238335358 1131190797 /nfs/dbraw/zinc/19/07/97/1131190797.db2.gz QIIQYIAXURHTQY-QWRGUYRKSA-N 0 1 283.774 3.720 20 0 CHADMN COc1c(Cl)ccc(F)c1CN(C)C(C)(C)C ZINC001238340617 1131193308 /nfs/dbraw/zinc/19/33/08/1131193308.db2.gz ZAAHYFRXLOBUIA-UHFFFAOYSA-N 0 1 259.752 3.718 20 0 CHADMN COc1cc(CN(C)CC2CCCCC2)c(Cl)cn1 ZINC001238354694 1131192906 /nfs/dbraw/zinc/19/29/06/1131192906.db2.gz OXIASSGXFMPRCL-UHFFFAOYSA-N 0 1 282.815 3.756 20 0 CHADMN Cc1cc(CN2CC(c3ccccc3)C2)cnc1OC(C)C ZINC001238380753 1131194409 /nfs/dbraw/zinc/19/44/09/1131194409.db2.gz GAXPINULVXJZEC-UHFFFAOYSA-N 0 1 296.414 3.777 20 0 CHADMN CCN(Cc1ccnc(Br)c1Cl)C(C)C ZINC001238373572 1131194679 /nfs/dbraw/zinc/19/46/79/1131194679.db2.gz XETSYXGGYMDMMU-UHFFFAOYSA-N 0 1 291.620 3.728 20 0 CHADMN C[C@@]12CCN(Cc3cccn3C3CC3)C[C@@H]1C2(Cl)Cl ZINC001117744556 1131195303 /nfs/dbraw/zinc/19/53/03/1131195303.db2.gz NSLBWSJBRSXNKV-UONOGXRCSA-N 0 1 299.245 3.839 20 0 CHADMN CCOc1ccc(CN2CCCC[C@@H]2COC)c(Cl)c1 ZINC001238396303 1131195569 /nfs/dbraw/zinc/19/55/69/1131195569.db2.gz VJPGBIZUUVFUSN-CQSZACIVSA-N 0 1 297.826 3.740 20 0 CHADMN Cc1cc(CN2CCC3(CCC3)CC2)ncc1Cl ZINC001238419382 1131196897 /nfs/dbraw/zinc/19/68/97/1131196897.db2.gz NCALCRQKPMVCIB-UHFFFAOYSA-N 0 1 264.800 3.810 20 0 CHADMN CCC1CCN(Cc2cc(C)c(Cl)cn2)CC1 ZINC001238424655 1131197104 /nfs/dbraw/zinc/19/71/04/1131197104.db2.gz BQKGKGRXTSNRGY-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN CSC1CCN(Cc2ccc(OC(C)C)cc2F)CC1 ZINC001238452572 1131201760 /nfs/dbraw/zinc/20/17/60/1131201760.db2.gz ZCDFWZDUSGBANE-UHFFFAOYSA-N 0 1 297.439 3.940 20 0 CHADMN CCc1coc(CN[C@@H]2CCc3cccc(Cl)c3C2)n1 ZINC001170892580 1131205267 /nfs/dbraw/zinc/20/52/67/1131205267.db2.gz ITMNTKOBOSICJR-CYBMUJFWSA-N 0 1 290.794 3.538 20 0 CHADMN Cc1ccc(OC(C)C)cc1CN1CC[C@@H](C)[C@H](F)C1 ZINC001238477269 1131205851 /nfs/dbraw/zinc/20/58/51/1131205851.db2.gz NIFZMLSXGCRUFY-RHSMWYFYSA-N 0 1 279.399 3.962 20 0 CHADMN CC(C)Oc1cncc(CN2Cc3ccccc3C[C@@H]2C)c1 ZINC001238472038 1131206124 /nfs/dbraw/zinc/20/61/24/1131206124.db2.gz SHEOWIHYQLOMIX-HNNXBMFYSA-N 0 1 296.414 3.816 20 0 CHADMN COc1cnc(CN2CCCCCCCC2)c(Cl)c1 ZINC001238490838 1131209042 /nfs/dbraw/zinc/20/90/42/1131209042.db2.gz KTWNHCKDOVPLRG-UHFFFAOYSA-N 0 1 282.815 3.900 20 0 CHADMN Fc1ccc(CN2CC[C@H]3CCCO[C@@H]3C2)cc1C1CC1 ZINC001238497474 1131209362 /nfs/dbraw/zinc/20/93/62/1131209362.db2.gz DPZFMJOPOVJFLF-CRAIPNDOSA-N 0 1 289.394 3.704 20 0 CHADMN CN(C)Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1 ZINC001238505773 1131211336 /nfs/dbraw/zinc/21/13/36/1131211336.db2.gz CYIXHJIUORFERT-UHFFFAOYSA-N 0 1 280.293 3.829 20 0 CHADMN CC(=O)[C@H]1CCCN(Cc2ccc(F)c(C3CC3)c2)C1 ZINC001238513067 1131212664 /nfs/dbraw/zinc/21/26/64/1131212664.db2.gz XIEWXTJJNSXMTM-HNNXBMFYSA-N 0 1 275.367 3.504 20 0 CHADMN CC(C)Oc1c(F)ccc(CN2C[C@@H]3[C@H](C2)C3(C)C)c1F ZINC001238529770 1131213242 /nfs/dbraw/zinc/21/32/42/1131213242.db2.gz JQLHYSDJJYYWQE-BETUJISGSA-N 0 1 295.373 3.840 20 0 CHADMN COc1cc(C)cc(F)c1CN1CCC2(CCC2)C1 ZINC001238592276 1131220126 /nfs/dbraw/zinc/22/01/26/1131220126.db2.gz QGQGCLNCFNWVLL-UHFFFAOYSA-N 0 1 263.356 3.519 20 0 CHADMN CC(C)Oc1cc(CN2CCC[C@](C)(F)CC2)cnc1F ZINC001238607464 1131221177 /nfs/dbraw/zinc/22/11/77/1131221177.db2.gz UOXRGXWYZKHMBQ-INIZCTEOSA-N 0 1 298.377 3.722 20 0 CHADMN Fc1ccc(CNCc2ccc3c(c2)CCC3)c(F)c1F ZINC001118420241 1131224313 /nfs/dbraw/zinc/22/43/13/1131224313.db2.gz BKWJECKPOSJYBS-UHFFFAOYSA-N 0 1 291.316 3.882 20 0 CHADMN C[C@@H]1CCCN1Cc1cc(-c2ccccc2)cnc1F ZINC001238656386 1131226168 /nfs/dbraw/zinc/22/61/68/1131226168.db2.gz AYXNFOLLFKGPFH-CYBMUJFWSA-N 0 1 270.351 3.872 20 0 CHADMN CC(C)N(C)Cc1cc(-c2ccccc2)cnc1F ZINC001238658437 1131226591 /nfs/dbraw/zinc/22/65/91/1131226591.db2.gz NZMZNWFBRNHQQJ-UHFFFAOYSA-N 0 1 258.340 3.728 20 0 CHADMN ClC1(Cl)C[C@@H]1CCN1CCCc2occc2C1 ZINC000823134597 1131416523 /nfs/dbraw/zinc/41/65/23/1131416523.db2.gz BBMKKGGLGPDEMM-NSHDSACASA-N 0 1 274.191 3.612 20 0 CHADMN Cc1ccc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c(Br)c1 ZINC001137807318 1131417934 /nfs/dbraw/zinc/41/79/34/1131417934.db2.gz SGQJVXQKUQUJKG-SGMGOOAPSA-N 0 1 298.199 3.690 20 0 CHADMN CCSc1cccc(-c2noc([C@H]3CCCCN3)n2)c1 ZINC000823239092 1131420564 /nfs/dbraw/zinc/42/05/64/1131420564.db2.gz HEROTTXIUMBGQD-CYBMUJFWSA-N 0 1 289.404 3.663 20 0 CHADMN CCCCN(Cc1ccnc(Cl)c1F)C1CC1 ZINC000823399416 1131425132 /nfs/dbraw/zinc/42/51/32/1131425132.db2.gz COPDIKDOAPBCQQ-UHFFFAOYSA-N 0 1 256.752 3.639 20 0 CHADMN CN(Cc1ccnc(Cl)c1F)C1CCCCC1 ZINC000823379349 1131425430 /nfs/dbraw/zinc/42/54/30/1131425430.db2.gz BARHGVNLDZSGOX-UHFFFAOYSA-N 0 1 256.752 3.639 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3cc(F)cc(C(F)(F)F)c3)C[C@@H]21 ZINC001137864657 1131426382 /nfs/dbraw/zinc/42/63/82/1131426382.db2.gz BPFOUADDMSTRPL-BETUJISGSA-N 0 1 287.300 3.932 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(F)c(F)cc2F)CC1 ZINC001137886643 1131430206 /nfs/dbraw/zinc/43/02/06/1131430206.db2.gz PBRUJIMGQVDCOV-SNVBAGLBSA-N 0 1 257.299 3.726 20 0 CHADMN Cc1ccc(CN(CC2CC2)C[C@@H]2CC2(Cl)Cl)cn1 ZINC000829847293 1131435629 /nfs/dbraw/zinc/43/56/29/1131435629.db2.gz YMAWZMPUYOLFAB-AWEZNQCLSA-N 0 1 299.245 3.796 20 0 CHADMN CC[C@H](NCc1cc(C2CC2)nn1C)c1ccc(F)cc1 ZINC000823729692 1131440038 /nfs/dbraw/zinc/44/00/38/1131440038.db2.gz JCGMAAIGXPUMLO-INIZCTEOSA-N 0 1 287.382 3.678 20 0 CHADMN Cc1nc2cc(N[C@@H]3CCc4ccc(O)cc4C3)ccc2[nH]1 ZINC001171030844 1131440745 /nfs/dbraw/zinc/44/07/45/1131440745.db2.gz ZRGXGOMZMKGGGQ-CQSZACIVSA-N 0 1 293.370 3.546 20 0 CHADMN Cc1nc([C@H](C)NCCNc2ccccc2)c(C)s1 ZINC000772877677 1131442821 /nfs/dbraw/zinc/44/28/21/1131442821.db2.gz WGHXNMATPYHCQH-NSHDSACASA-N 0 1 275.421 3.523 20 0 CHADMN Cc1ccc(SCc2n[nH]c(C(C)(C)C)n2)s1 ZINC000830056893 1131443386 /nfs/dbraw/zinc/44/33/86/1131443386.db2.gz JHYLYHJJAVLZAL-UHFFFAOYSA-N 0 1 267.423 3.764 20 0 CHADMN Cc1ccc(CN2CCC3(CC3)CC2)c(F)c1F ZINC001137965879 1131443824 /nfs/dbraw/zinc/44/38/24/1131443824.db2.gz FJOLDWIFXHWQEV-UHFFFAOYSA-N 0 1 251.320 3.649 20 0 CHADMN Cc1ccc(CN2CC[C@H](c3cccnc3)C2)c(F)c1F ZINC001137968487 1131444092 /nfs/dbraw/zinc/44/40/92/1131444092.db2.gz HHNCXSVGAWSHSK-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN CCCCCc1cc(C(=O)N2CCCC[C@@H]2C(C)C)n[nH]1 ZINC001136787781 1131445076 /nfs/dbraw/zinc/44/50/76/1131445076.db2.gz QKRDOUDJIVFITQ-MRXNPFEDSA-N 0 1 291.439 3.793 20 0 CHADMN CCCc1csc(NC(=O)c2ccc(Cl)c(O)c2)n1 ZINC001137997305 1131448254 /nfs/dbraw/zinc/44/82/54/1131448254.db2.gz XFDJYAQWVPHKAM-UHFFFAOYSA-N 0 1 296.779 3.707 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(C)c3ccccc23)n(C)n1 ZINC001138017052 1131451444 /nfs/dbraw/zinc/45/14/44/1131451444.db2.gz VWVPTKMNBDMTSB-UHFFFAOYSA-N 0 1 293.414 3.822 20 0 CHADMN Cc1ccc(Nc2ccc(Cl)c(N)c2)c2cn[nH]c21 ZINC001160307325 1131452061 /nfs/dbraw/zinc/45/20/61/1131452061.db2.gz AGVGOQYMQLRFKT-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN COc1cc(C)ccc1CNc1ccc2c(c1)nc(C)n2C ZINC000824104429 1131453740 /nfs/dbraw/zinc/45/37/40/1131453740.db2.gz URPZIRDFIIACID-UHFFFAOYSA-N 0 1 295.386 3.811 20 0 CHADMN Cc1ccccc1CCN(C)Cc1cnc(Cl)s1 ZINC000830388011 1131455380 /nfs/dbraw/zinc/45/53/80/1131455380.db2.gz KTQHMKQDGKDNQC-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN CC(C)[C@H]1COCCN1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171049869 1131458569 /nfs/dbraw/zinc/45/85/69/1131458569.db2.gz NPLSQDQQMLCXSY-RHSMWYFYSA-N 0 1 293.838 3.554 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cncc3ccccc32)C1 ZINC000824472247 1131469132 /nfs/dbraw/zinc/46/91/32/1131469132.db2.gz NWNLHGXCCREJGF-MRXNPFEDSA-N 0 1 258.340 3.559 20 0 CHADMN CC(=O)c1ccc([C@H](C)Nc2cccc(CN(C)C)n2)cc1 ZINC001171054914 1131469355 /nfs/dbraw/zinc/46/93/55/1131469355.db2.gz VDNGGCIGRPHBKZ-ZDUSSCGKSA-N 0 1 297.402 3.519 20 0 CHADMN C[C@H]1CN(CC[C@@H]2CC2(Cl)Cl)CC2(CCCC2)O1 ZINC000830860156 1131470933 /nfs/dbraw/zinc/47/09/33/1131470933.db2.gz KCARLTIDXDXBKT-NWDGAFQWSA-N 0 1 292.250 3.604 20 0 CHADMN Fc1cc(F)c2c(c1)[C@@H](NCc1ccc(F)nc1)CCC2 ZINC000824468901 1131471649 /nfs/dbraw/zinc/47/16/49/1131471649.db2.gz RTBOTXBZEKBFPX-HNNXBMFYSA-N 0 1 292.304 3.666 20 0 CHADMN c1csc(-c2n[nH]cc2CN2CCCCC23CC3)c1 ZINC001138158049 1131473611 /nfs/dbraw/zinc/47/36/11/1131473611.db2.gz WJWULPJAXSUVFD-UHFFFAOYSA-N 0 1 273.405 3.657 20 0 CHADMN Clc1cc(Cl)c2c(c1)CC[C@@H](NCc1cocn1)C2 ZINC001171063632 1131481979 /nfs/dbraw/zinc/48/19/79/1131481979.db2.gz NGDVNJFVCKLKFD-LLVKDONJSA-N 0 1 297.185 3.629 20 0 CHADMN CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@H](C(F)F)C2)n1 ZINC001138284011 1131485897 /nfs/dbraw/zinc/48/58/97/1131485897.db2.gz WPTVMYZNBQNMHY-LBPRGKRZSA-N 0 1 298.377 3.736 20 0 CHADMN CC(C)(C)Oc1cccc(CN2CCC[C@H](C(F)F)C2)n1 ZINC001138284011 1131485899 /nfs/dbraw/zinc/48/58/99/1131485899.db2.gz WPTVMYZNBQNMHY-LBPRGKRZSA-N 0 1 298.377 3.736 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cc(O)cc(O)c2)cc1 ZINC001138328510 1131491558 /nfs/dbraw/zinc/49/15/58/1131491558.db2.gz LQCYCKKQFXFHRQ-GOSISDBHSA-N 0 1 283.371 3.743 20 0 CHADMN CCc1cccc2c(CN3C[C@H](F)C[C@H]3C)c[nH]c21 ZINC001138360449 1131494910 /nfs/dbraw/zinc/49/49/10/1131494910.db2.gz XQHRMSJJKFXNFN-BXUZGUMPSA-N 0 1 260.356 3.663 20 0 CHADMN Fc1cccc2[nH]cc(CN3C[C@H]4CC[C@@H](C3)C4(F)F)c21 ZINC001136980013 1131495133 /nfs/dbraw/zinc/49/51/33/1131495133.db2.gz YNAADGXOYDOQSW-TXEJJXNPSA-N 0 1 294.320 3.784 20 0 CHADMN CCc1nc(CN[C@@H](C)CCC2CCCC2)co1 ZINC000825056599 1131495675 /nfs/dbraw/zinc/49/56/75/1131495675.db2.gz HEZPYJDUDHAFGM-LBPRGKRZSA-N 0 1 250.386 3.686 20 0 CHADMN CCc1nc(CN[C@@H](C)Cc2ccc(Cl)cc2)co1 ZINC000825055995 1131496074 /nfs/dbraw/zinc/49/60/74/1131496074.db2.gz CUIKZAGSEQFAOJ-NSHDSACASA-N 0 1 278.783 3.611 20 0 CHADMN Fc1cccc2[nH]cc(CN3CC[C@@H](C(F)(F)F)C3)c21 ZINC001136984821 1131498114 /nfs/dbraw/zinc/49/81/14/1131498114.db2.gz SGASFODLDMYSGP-SNVBAGLBSA-N 0 1 286.272 3.691 20 0 CHADMN CCCc1ncc(CN[C@@H](C)CSC(C)(C)C)o1 ZINC000825085978 1131498919 /nfs/dbraw/zinc/49/89/19/1131498919.db2.gz OIQZBMBIGDMDML-NSHDSACASA-N 0 1 270.442 3.637 20 0 CHADMN FC(F)(F)c1cccc(C2CN(C[C@@H]3CCC=CO3)C2)c1 ZINC000825124291 1131499807 /nfs/dbraw/zinc/49/98/07/1131499807.db2.gz MELKINWTDJFGOZ-HNNXBMFYSA-N 0 1 297.320 3.797 20 0 CHADMN Cc1ccc2[nH]c(CN3CCCCC34CC4)cc2c1 ZINC001138420077 1131502126 /nfs/dbraw/zinc/50/21/26/1131502126.db2.gz NAOPYZGROZBTSA-UHFFFAOYSA-N 0 1 254.377 3.995 20 0 CHADMN Cc1ccc2[nH]c(CN(C)Cc3cccc(O)c3)cc2c1 ZINC001138418798 1131502666 /nfs/dbraw/zinc/50/26/66/1131502666.db2.gz HNLCMZYGSAQLHE-UHFFFAOYSA-N 0 1 280.371 3.814 20 0 CHADMN Cc1ccc2[nH]c(CN3CC[C@@H](C(F)(F)F)C3)cc2c1 ZINC001138420044 1131502867 /nfs/dbraw/zinc/50/28/67/1131502867.db2.gz LPXPEFREUUCFOZ-GFCCVEGCSA-N 0 1 282.309 3.861 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(F)nc2C)cc1C ZINC000825300124 1131505871 /nfs/dbraw/zinc/50/58/71/1131505871.db2.gz WRWBAXBAEFDGCK-UHFFFAOYSA-N 0 1 272.367 3.778 20 0 CHADMN CCOc1ccc2ccccc2c1CN1C[C@H](C)O[C@@H](C)C1 ZINC001138440097 1131506015 /nfs/dbraw/zinc/50/60/15/1131506015.db2.gz OTPKLUIXVKTAPO-GJZGRUSLSA-N 0 1 299.414 3.848 20 0 CHADMN CCc1ccc(CN(C)Cc2ncc(C(F)(F)F)[nH]2)cc1 ZINC001137017747 1131508489 /nfs/dbraw/zinc/50/84/89/1131508489.db2.gz VPZLRLCTIYYLTI-UHFFFAOYSA-N 0 1 297.324 3.623 20 0 CHADMN CC(=O)[C@@H]1CCCN1Cc1sc2ccccc2c1C ZINC001138461479 1131508548 /nfs/dbraw/zinc/50/85/48/1131508548.db2.gz HFTQKYDUHPQLJI-AWEZNQCLSA-N 0 1 273.401 3.763 20 0 CHADMN COc1c(Cl)cc(CN2CC[C@@H](C)C2)cc1Cl ZINC001138473034 1131510346 /nfs/dbraw/zinc/51/03/46/1131510346.db2.gz MPWSHMMLOZQNOH-SECBINFHSA-N 0 1 274.191 3.844 20 0 CHADMN COc1ccc(CN2CCC[C@@H](F)CC2)cc1Cl ZINC001138470489 1131510527 /nfs/dbraw/zinc/51/05/27/1131510527.db2.gz VYOUASRVRFFELB-GFCCVEGCSA-N 0 1 271.763 3.673 20 0 CHADMN Cc1nc2cc(Nc3ccc4nn(C)cc4c3)ccc2[nH]1 ZINC001213073601 1131510562 /nfs/dbraw/zinc/51/05/62/1131510562.db2.gz SPHBRAOHOCCYAL-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN COc1ccc(Cl)cc1CN1CCC[C@H](CF)C1 ZINC001138482011 1131511813 /nfs/dbraw/zinc/51/18/13/1131511813.db2.gz YKSVWGZUOTVETL-LLVKDONJSA-N 0 1 271.763 3.530 20 0 CHADMN COc1ccc(C)cc1CN(C)CCC(=O)c1ccccc1 ZINC001138487212 1131512554 /nfs/dbraw/zinc/51/25/54/1131512554.db2.gz IAFBCEFIOQDADU-UHFFFAOYSA-N 0 1 297.398 3.708 20 0 CHADMN CCCc1ccc(CN(C)Cc2cnc3ccccn23)s1 ZINC001138523657 1131516784 /nfs/dbraw/zinc/51/67/84/1131516784.db2.gz KGOCFEGCLSWLRX-UHFFFAOYSA-N 0 1 299.443 3.980 20 0 CHADMN Fc1ccc(CN(CC2CC2)C2CC2)c(F)c1Cl ZINC001143627728 1131519206 /nfs/dbraw/zinc/51/92/06/1131519206.db2.gz SIMBFFPLRCBCSN-UHFFFAOYSA-N 0 1 271.738 3.993 20 0 CHADMN CC/C=C(/C)C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831909938 1131519508 /nfs/dbraw/zinc/51/95/08/1131519508.db2.gz BZYMQRATNIIQFA-SVSAJMPUSA-N 0 1 289.423 3.595 20 0 CHADMN CCC(CC)C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831919790 1131520653 /nfs/dbraw/zinc/52/06/53/1131520653.db2.gz PVQBNIFMMOTJCA-CQSZACIVSA-N 0 1 291.439 3.675 20 0 CHADMN CN(CCc1ccncc1)Cc1ccc(F)c(Cl)c1F ZINC001143626199 1131521769 /nfs/dbraw/zinc/52/17/69/1131521769.db2.gz LQDDOKZTWJOTAI-UHFFFAOYSA-N 0 1 296.748 3.688 20 0 CHADMN CN(Cc1cc(Cl)ccc1OC(F)(F)F)C1CC1 ZINC001143698201 1131524841 /nfs/dbraw/zinc/52/48/41/1131524841.db2.gz AMWYQJHAWRIJLO-UHFFFAOYSA-N 0 1 279.689 3.833 20 0 CHADMN F[C@H]1CCCCN(Cc2ccccc2N2CCCC2)C1 ZINC001138611000 1131527212 /nfs/dbraw/zinc/52/72/12/1131527212.db2.gz YOLVZGFZJSIWSD-INIZCTEOSA-N 0 1 276.399 3.611 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@]3(CCSC3)C2)c1F ZINC001171099228 1131528619 /nfs/dbraw/zinc/52/86/19/1131528619.db2.gz PULQPTAGNOVVDU-INIZCTEOSA-N 0 1 297.414 3.992 20 0 CHADMN COCCC1CCN(Cc2cc(F)cc(F)c2C)CC1 ZINC001143764652 1131529302 /nfs/dbraw/zinc/52/93/02/1131529302.db2.gz WQEMXYIPOKQMGB-UHFFFAOYSA-N 0 1 283.362 3.522 20 0 CHADMN Fc1ccccc1-n1cccc1CN1CCC[C@H]2C[C@H]21 ZINC001138637232 1131531059 /nfs/dbraw/zinc/53/10/59/1131531059.db2.gz XGHHSGDNRMPHSJ-SUMWQHHRSA-N 0 1 270.351 3.601 20 0 CHADMN Fc1cc(OC(F)(F)F)ccc1CN1CCCCC1 ZINC001143782641 1131533306 /nfs/dbraw/zinc/53/33/06/1131533306.db2.gz UGGKTEORNGUWSE-UHFFFAOYSA-N 0 1 277.261 3.710 20 0 CHADMN COc1cc(C)c(CN(C)Cc2ccccn2)c(C)c1C ZINC001138723239 1131541771 /nfs/dbraw/zinc/54/17/71/1131541771.db2.gz KRTQTJYNHJAFTO-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN COc1cc(C)c(CN(C)Cc2ccc(C)nc2)c(C)c1C ZINC001138727868 1131542623 /nfs/dbraw/zinc/54/26/23/1131542623.db2.gz VWVUZRXANFCWPP-UHFFFAOYSA-N 0 1 298.430 3.956 20 0 CHADMN C[C@]1(CN2CCOCC23CCCCC3)CC1(Cl)Cl ZINC000832180605 1131544498 /nfs/dbraw/zinc/54/44/98/1131544498.db2.gz UZCRPGVKXZSNIV-GFCCVEGCSA-N 0 1 292.250 3.605 20 0 CHADMN COc1cc(Cl)cc(CN2C[C@@H](C)C[C@H](C)C2)c1OC ZINC001138746360 1131545223 /nfs/dbraw/zinc/54/52/23/1131545223.db2.gz ZOYVXMPDVUAVPO-RYUDHWBXSA-N 0 1 297.826 3.835 20 0 CHADMN COc1ccc(CN2[C@H](C)CCC[C@H]2C)c(F)c1F ZINC001143902726 1131549504 /nfs/dbraw/zinc/54/95/04/1131549504.db2.gz KEKBEPUQSTWUBD-GHMZBOCLSA-N 0 1 269.335 3.736 20 0 CHADMN CC[C@@H]1CCCN1Cc1c(Cl)ccc(OC)c1F ZINC001143898411 1131550122 /nfs/dbraw/zinc/55/01/22/1131550122.db2.gz QLQICDGMNQRFEO-SNVBAGLBSA-N 0 1 271.763 3.862 20 0 CHADMN Cc1nnsc1CN[C@H](C)c1csc2ccccc12 ZINC000844319923 1131552003 /nfs/dbraw/zinc/55/20/03/1131552003.db2.gz VTCGUQZUQAQQJF-SECBINFHSA-N 0 1 289.429 3.912 20 0 CHADMN Cc1ncccc1CN(C)Cc1ccc2occc2c1 ZINC001138826326 1131553519 /nfs/dbraw/zinc/55/35/19/1131553519.db2.gz VPMRMMTVPXPLNZ-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN CCCCN(Cc1cc(C)n(C)n1)Cc1ccccc1 ZINC001138827857 1131553793 /nfs/dbraw/zinc/55/37/93/1131553793.db2.gz HCDLDYLZAOGYIV-UHFFFAOYSA-N 0 1 271.408 3.531 20 0 CHADMN CCOc1ccc(F)c(CN(C)CC2CCCC2)c1F ZINC001143943422 1131557352 /nfs/dbraw/zinc/55/73/52/1131557352.db2.gz XFJVCVLYLLEWOE-UHFFFAOYSA-N 0 1 283.362 3.986 20 0 CHADMN CCOc1ccc(F)c(CN2CCCC2(C)C)c1F ZINC001143931405 1131557827 /nfs/dbraw/zinc/55/78/27/1131557827.db2.gz SLYNQRWVCTVBND-UHFFFAOYSA-N 0 1 269.335 3.738 20 0 CHADMN Cc1c(CN2CCC[C@]3(CCO3)C2)cccc1C(F)(F)F ZINC001143930102 1131558294 /nfs/dbraw/zinc/55/82/94/1131558294.db2.gz LIUAGSCYJXHSNS-HNNXBMFYSA-N 0 1 299.336 3.769 20 0 CHADMN CC1(F)CCN(Cc2ccccc2OC(F)F)CC1 ZINC001138908597 1131558644 /nfs/dbraw/zinc/55/86/44/1131558644.db2.gz UHQAFRXXUZSZIM-UHFFFAOYSA-N 0 1 273.298 3.612 20 0 CHADMN COc1ccc(F)c(CN2CC[C@H]3CCCC[C@@H]3C2)c1F ZINC001143984014 1131561810 /nfs/dbraw/zinc/56/18/10/1131561810.db2.gz PSQSYZIEUPYHOA-CHWSQXEVSA-N 0 1 295.373 3.986 20 0 CHADMN CC(C)C(=O)CCN1CCC[C@@H]1c1ccc(F)cc1F ZINC000832517634 1131563434 /nfs/dbraw/zinc/56/34/34/1131563434.db2.gz MTMGGAMLVMPGGO-OAHLLOKOSA-N 0 1 281.346 3.717 20 0 CHADMN FC1(F)C[C@@]12CCCN(Cc1ccccc1Cl)C2 ZINC000844437173 1131563869 /nfs/dbraw/zinc/56/38/69/1131563869.db2.gz STXRZKPYNXYWBK-CYBMUJFWSA-N 0 1 271.738 3.961 20 0 CHADMN FC(F)[C@@H]1CCC[N@@H+](Cc2c3cc[nH]c3ncc2Cl)C1 ZINC001138950806 1131563980 /nfs/dbraw/zinc/56/39/80/1131563980.db2.gz FGYJCFUNOUAXHN-SECBINFHSA-N 0 1 299.752 3.645 20 0 CHADMN FC(F)[C@@H]1CCCN(Cc2c3cc[nH]c3ncc2Cl)C1 ZINC001138950806 1131563983 /nfs/dbraw/zinc/56/39/83/1131563983.db2.gz FGYJCFUNOUAXHN-SECBINFHSA-N 0 1 299.752 3.645 20 0 CHADMN COc1ccc(F)c(CN2CCCCCCC2)c1F ZINC001143978681 1131564774 /nfs/dbraw/zinc/56/47/74/1131564774.db2.gz SHHWWGDZTLYEQG-UHFFFAOYSA-N 0 1 269.335 3.740 20 0 CHADMN CCC(=O)Oc1ccc(CN2CCc3ccccc3C2)cc1 ZINC001138963206 1131566417 /nfs/dbraw/zinc/56/64/17/1131566417.db2.gz YIECQHCFYWDGIL-UHFFFAOYSA-N 0 1 295.382 3.560 20 0 CHADMN CCCOc1ccccc1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001138994906 1131569380 /nfs/dbraw/zinc/56/93/80/1131569380.db2.gz BUPLYFTWBMCPEJ-GASCZTMLSA-N 0 1 295.373 3.953 20 0 CHADMN CCCOc1ccccc1CN1CCC(F)(F)[C@H](C)C1 ZINC001138994934 1131569492 /nfs/dbraw/zinc/56/94/92/1131569492.db2.gz CIEJBGXJDZFGFN-CYBMUJFWSA-N 0 1 283.362 3.953 20 0 CHADMN CCOc1c(F)cc(CN2CCC[C@@H](CC)C2)cc1F ZINC001144030710 1131570381 /nfs/dbraw/zinc/57/03/81/1131570381.db2.gz KQPKRMGTUDHYTF-GFCCVEGCSA-N 0 1 283.362 3.986 20 0 CHADMN CCCOc1ccccc1CN1CC[C@H](C(F)(F)F)C1 ZINC001139002097 1131571119 /nfs/dbraw/zinc/57/11/19/1131571119.db2.gz SKOZZAMQRSNHJM-ZDUSSCGKSA-N 0 1 287.325 3.860 20 0 CHADMN CCOc1c(F)cc(CN2CC[C@@H]3CCC[C@H]3C2)cc1F ZINC001144018794 1131571676 /nfs/dbraw/zinc/57/16/76/1131571676.db2.gz SYFRCLNCLAHHHM-KBPBESRZSA-N 0 1 295.373 3.986 20 0 CHADMN CCOc1c(F)cc(CN(C)Cc2ccccc2)cc1F ZINC001144018967 1131571841 /nfs/dbraw/zinc/57/18/41/1131571841.db2.gz SFEHYSRZJBINQR-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN C1=CCN(Cc2ccccc2Oc2ccccc2)C1 ZINC001139053749 1131577328 /nfs/dbraw/zinc/57/73/28/1131577328.db2.gz SNQKKNNGIUVGMI-UHFFFAOYSA-N 0 1 251.329 3.851 20 0 CHADMN Fc1ccc(-c2cccc(CN3CCOC4(CC4)C3)c2)cc1 ZINC001139069180 1131579765 /nfs/dbraw/zinc/57/97/65/1131579765.db2.gz FTXVCKYHDWAVPH-UHFFFAOYSA-N 0 1 297.373 3.858 20 0 CHADMN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1c(F)cccc1F ZINC001171134471 1131581756 /nfs/dbraw/zinc/58/17/56/1131581756.db2.gz ZVNZELGRAGMREN-NILFDRSVSA-N 0 1 283.362 3.963 20 0 CHADMN CCn1ccc2ccc(CN(C)Cc3cccnc3C)cc21 ZINC001139120772 1131582823 /nfs/dbraw/zinc/58/28/23/1131582823.db2.gz ZFDRCJJSCCYWKN-UHFFFAOYSA-N 0 1 293.414 3.997 20 0 CHADMN COc1ccc(CN2CCCCC23CC3)c(Cl)c1OC ZINC001139119827 1131583028 /nfs/dbraw/zinc/58/30/28/1131583028.db2.gz BWXPDHFBQUCMKG-UHFFFAOYSA-N 0 1 295.810 3.876 20 0 CHADMN CCn1ccc2ccc(CN3CCC[C@@](C)(F)C3)cc21 ZINC001139119370 1131583805 /nfs/dbraw/zinc/58/38/05/1131583805.db2.gz MYPQDPGRXIOAQY-QGZVFWFLSA-N 0 1 274.383 3.985 20 0 CHADMN COc1cc(O)ccc1CN1Cc2ccccc2[C@@H](C)C1 ZINC001139138597 1131584837 /nfs/dbraw/zinc/58/48/37/1131584837.db2.gz RUXJIPCEXDGEAR-ZDUSSCGKSA-N 0 1 283.371 3.520 20 0 CHADMN Cc1c(O)cccc1CN1CCSC[C@@H]1c1ccccc1 ZINC001144119014 1131587150 /nfs/dbraw/zinc/58/71/50/1131587150.db2.gz PEQGYPRRYAHRKA-QGZVFWFLSA-N 0 1 299.439 3.991 20 0 CHADMN CCc1cc(CN2CCCC[C@@H](F)C2)cc(CC)c1O ZINC001144138671 1131589703 /nfs/dbraw/zinc/58/97/03/1131589703.db2.gz YYENRHJOVFKLDF-MRXNPFEDSA-N 0 1 279.399 3.841 20 0 CHADMN O=C1CCN(Cc2ccc3cccnc3c2)[C@H]2CCCC[C@@H]12 ZINC001139164827 1131590145 /nfs/dbraw/zinc/59/01/45/1131590145.db2.gz SRWZFJIRWWDILS-AEFFLSMTSA-N 0 1 294.398 3.568 20 0 CHADMN O=C1CCN(Cc2ccc3cccnc3c2)[C@H]2CCCC[C@H]12 ZINC001139164830 1131590280 /nfs/dbraw/zinc/59/02/80/1131590280.db2.gz SRWZFJIRWWDILS-WMZOPIPTSA-N 0 1 294.398 3.568 20 0 CHADMN c1cnc2cc(CN3CCOC4(CCCCC4)C3)ccc2c1 ZINC001139170699 1131591915 /nfs/dbraw/zinc/59/19/15/1131591915.db2.gz IWRSUYOCIXBMNO-UHFFFAOYSA-N 0 1 296.414 3.770 20 0 CHADMN CCc1cc(CN2CC(c3cccnc3)C2)cc(CC)c1O ZINC001144151324 1131592742 /nfs/dbraw/zinc/59/27/42/1131592742.db2.gz RRSHUBHMPSQTLA-UHFFFAOYSA-N 0 1 296.414 3.511 20 0 CHADMN Cc1nc2c(s1)CN(Cc1ccc3ccn(C)c3c1)CC2 ZINC001139205912 1131595966 /nfs/dbraw/zinc/59/59/66/1131595966.db2.gz UXOSXJXTYKDHFY-UHFFFAOYSA-N 0 1 297.427 3.502 20 0 CHADMN Cn1ccc2ccc(C[N@@H+](Cc3ccco3)C3CC3)cc21 ZINC001139207842 1131597725 /nfs/dbraw/zinc/59/77/25/1131597725.db2.gz KMTGZLNVIFHQIN-UHFFFAOYSA-N 0 1 280.371 3.936 20 0 CHADMN Cn1ccc2ccc(CN(Cc3ccco3)C3CC3)cc21 ZINC001139207842 1131597726 /nfs/dbraw/zinc/59/77/26/1131597726.db2.gz KMTGZLNVIFHQIN-UHFFFAOYSA-N 0 1 280.371 3.936 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1[nH]nc2ccc(F)cc21 ZINC001144202539 1131599306 /nfs/dbraw/zinc/59/93/06/1131599306.db2.gz UFTVJJIAPGAQFH-GFCCVEGCSA-N 0 1 295.361 3.649 20 0 CHADMN Fc1ccc(Oc2ccccc2CN2CCC2)cc1 ZINC001139297609 1131600875 /nfs/dbraw/zinc/60/08/75/1131600875.db2.gz HLICPRXKURXXFK-UHFFFAOYSA-N 0 1 257.308 3.824 20 0 CHADMN COc1cc(CN2CCCC2(C)C)ccc1Br ZINC001144226994 1131603225 /nfs/dbraw/zinc/60/32/25/1131603225.db2.gz WGGLGJNOYACRMA-UHFFFAOYSA-N 0 1 298.224 3.832 20 0 CHADMN Cc1ncccc1CN(C)Cc1ccc2cc(O)ccc2c1 ZINC001139342538 1131603292 /nfs/dbraw/zinc/60/32/92/1131603292.db2.gz QLZRFKQKEWOOMF-UHFFFAOYSA-N 0 1 292.382 3.881 20 0 CHADMN Oc1ccc(CN(Cc2ccccn2)C2CCCCC2)nc1 ZINC001144265695 1131607426 /nfs/dbraw/zinc/60/74/26/1131607426.db2.gz WQYREFOEUAGMGR-UHFFFAOYSA-N 0 1 297.402 3.517 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)Cc1ccc(=O)[nH]c1 ZINC001139469547 1131609480 /nfs/dbraw/zinc/60/94/80/1131609480.db2.gz WTKHYMAJXMGSJH-LLVKDONJSA-N 0 1 276.767 3.634 20 0 CHADMN Cc1ccc([O-])c(C[NH2+][C@H](C2CCC2)C2CCCCC2)n1 ZINC001202939889 1131610804 /nfs/dbraw/zinc/61/08/04/1131610804.db2.gz VDPSUOUGRNLXPG-SFHVURJKSA-N 0 1 288.435 3.934 20 0 CHADMN CN(Cc1ccc(-c2ccccc2)nc1)C[C@H]1CCCCO1 ZINC001139517977 1131612805 /nfs/dbraw/zinc/61/28/05/1131612805.db2.gz IMJHLXVTYKOUHG-GOSISDBHSA-N 0 1 296.414 3.750 20 0 CHADMN CN(Cc1cccc(Cl)n1)Cc1cccc2cccnc21 ZINC001139550008 1131615448 /nfs/dbraw/zinc/61/54/48/1131615448.db2.gz QQFZIORCLUVVRZ-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN COc1ccc(CN2CC(C)C2)c(OCc2ccccc2)c1 ZINC001139558807 1131616873 /nfs/dbraw/zinc/61/68/73/1131616873.db2.gz XGCVUTNBWAIVSX-UHFFFAOYSA-N 0 1 297.398 3.726 20 0 CHADMN Clc1ccccc1-c1ccccc1CN1CC2(COC2)C1 ZINC001139572846 1131617582 /nfs/dbraw/zinc/61/75/82/1131617582.db2.gz UGLQLHXZCBHAIE-UHFFFAOYSA-N 0 1 299.801 3.839 20 0 CHADMN Fc1cccc2nc(CN3CCC4(CCCC4)CC3)cn21 ZINC001139568697 1131617829 /nfs/dbraw/zinc/61/78/29/1131617829.db2.gz STWPTJKXXCEBEO-UHFFFAOYSA-N 0 1 287.382 3.630 20 0 CHADMN CCOc1ccc(C)cc1CN1CCCC[C@H](F)C1 ZINC001139599999 1131620519 /nfs/dbraw/zinc/62/05/19/1131620519.db2.gz LDJJNJRHBSGNON-HNNXBMFYSA-N 0 1 265.372 3.718 20 0 CHADMN Cc1cccc2nc(NC(=O)CCc3ccccc3C)[nH]c21 ZINC001144432233 1131634502 /nfs/dbraw/zinc/63/45/02/1131634502.db2.gz LLGYXJHKVYQNNC-UHFFFAOYSA-N 0 1 293.370 3.751 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1cnc(OC)s1 ZINC001139818298 1131638830 /nfs/dbraw/zinc/63/88/30/1131638830.db2.gz BGJZTKHMLWHJDM-CQSZACIVSA-N 0 1 276.405 3.735 20 0 CHADMN COCc1ccc(CN2CCC[C@H]2c2cccnc2)s1 ZINC001139823753 1131638973 /nfs/dbraw/zinc/63/89/73/1131638973.db2.gz GJCWUUOORRUYRF-INIZCTEOSA-N 0 1 288.416 3.627 20 0 CHADMN CCN(CCc1ccc(OC)cc1)Cc1ncc(C)s1 ZINC001139812620 1131639189 /nfs/dbraw/zinc/63/91/89/1131639189.db2.gz HSQHBGKUICPQLR-UHFFFAOYSA-N 0 1 290.432 3.525 20 0 CHADMN COCc1ccc(CN(C)Cc2cccc(OC)c2)s1 ZINC001139827121 1131640504 /nfs/dbraw/zinc/64/05/04/1131640504.db2.gz PBMZBNPHKDWHRL-UHFFFAOYSA-N 0 1 291.416 3.535 20 0 CHADMN COc1cc(Cl)cc(CN2CCCCC23CC3)c1 ZINC001144489054 1131644249 /nfs/dbraw/zinc/64/42/49/1131644249.db2.gz AVOKFWNJHNKJDT-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN COc1cc(Cl)cc(CN2CCC[C@H](CF)C2)c1 ZINC001144488633 1131644811 /nfs/dbraw/zinc/64/48/11/1131644811.db2.gz RBPLZYGBOPQUDX-LLVKDONJSA-N 0 1 271.763 3.530 20 0 CHADMN Cc1ccc(O[C@H]2CCCN(Cc3ccc(C)nc3)C2)cc1 ZINC001139931958 1131650622 /nfs/dbraw/zinc/65/06/22/1131650622.db2.gz YUXLKANFCOXEEV-IBGZPJMESA-N 0 1 296.414 3.742 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2c2ccccc2F)cn1 ZINC001139932704 1131650844 /nfs/dbraw/zinc/65/08/44/1131650844.db2.gz KQSQVCULGACSAM-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN CC(C)C[NH+](Cc1c(F)cc([O-])cc1F)CC(C)C ZINC001144541998 1131653477 /nfs/dbraw/zinc/65/34/77/1131653477.db2.gz OOMSCFHFAQJQSD-UHFFFAOYSA-N 0 1 271.351 3.784 20 0 CHADMN COc1cccc(CN(C)Cc2cc3ccccc3cn2)c1 ZINC001139997199 1131654640 /nfs/dbraw/zinc/65/46/40/1131654640.db2.gz BFULSEITFYYRAG-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN F[C@@H]1CCCC[N@@H+](Cc2cc3ccccc3cn2)C1 ZINC001139995769 1131655243 /nfs/dbraw/zinc/65/52/43/1131655243.db2.gz NOSBDGDTEMJGDY-OAHLLOKOSA-N 0 1 258.340 3.559 20 0 CHADMN F[C@@H]1CCCCN(Cc2cc3ccccc3cn2)C1 ZINC001139995769 1131655246 /nfs/dbraw/zinc/65/52/46/1131655246.db2.gz NOSBDGDTEMJGDY-OAHLLOKOSA-N 0 1 258.340 3.559 20 0 CHADMN CSc1nccc(CN2CCC(c3ccccc3)CC2)n1 ZINC001140034094 1131658818 /nfs/dbraw/zinc/65/88/18/1131658818.db2.gz GAXKNVXUNJVEGW-UHFFFAOYSA-N 0 1 299.443 3.578 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cc(C(F)(F)F)ccn1 ZINC001140107495 1131664489 /nfs/dbraw/zinc/66/44/89/1131664489.db2.gz ZDGCLPWTQSKASZ-LLVKDONJSA-N 0 1 272.314 3.865 20 0 CHADMN CC(C)N(Cc1ccccc1)Cc1ccc(O)cc1F ZINC001140125042 1131665755 /nfs/dbraw/zinc/66/57/55/1131665755.db2.gz MJZKTKYCZREHAX-UHFFFAOYSA-N 0 1 273.351 3.942 20 0 CHADMN C[C@@]1(F)CC[N@@H+](Cc2cccc3cnccc32)C[C@H]1F ZINC001140143157 1131668002 /nfs/dbraw/zinc/66/80/02/1131668002.db2.gz TYRXEUJJZXKKMC-HZPDHXFCSA-N 0 1 276.330 3.507 20 0 CHADMN C[C@@]1(F)CCN(Cc2cccc3cnccc32)C[C@H]1F ZINC001140143157 1131668005 /nfs/dbraw/zinc/66/80/05/1131668005.db2.gz TYRXEUJJZXKKMC-HZPDHXFCSA-N 0 1 276.330 3.507 20 0 CHADMN CCCCC1CCN(Cc2ncn3ccccc23)CC1 ZINC001144617341 1131669173 /nfs/dbraw/zinc/66/91/73/1131669173.db2.gz XAEMFPNJLHGGOC-UHFFFAOYSA-N 0 1 271.408 3.737 20 0 CHADMN COc1cccc2c1CN(Cc1cc(C)c(O)cc1C)CC2 ZINC001140197383 1131675151 /nfs/dbraw/zinc/67/51/51/1131675151.db2.gz MVUWNBPELPSTGH-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN COc1cccc2c1CCN(Cc1cc(C)c(O)cc1C)C2 ZINC001140202898 1131677426 /nfs/dbraw/zinc/67/74/26/1131677426.db2.gz FUDMEVJATMUMLS-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN Cc1cc(CN2CCOC3(CCCCC3)C2)c(C)cc1O ZINC001140202709 1131677487 /nfs/dbraw/zinc/67/74/87/1131677487.db2.gz VVWAMOMIEGAYAD-UHFFFAOYSA-N 0 1 289.419 3.544 20 0 CHADMN CCCN(CCC)c1ccc(NCc2c[nH]nc2C)cc1 ZINC000846056976 1131685550 /nfs/dbraw/zinc/68/55/50/1131685550.db2.gz JKJQOJCBWUXKBE-UHFFFAOYSA-N 0 1 286.423 3.957 20 0 CHADMN O=C1CCN(Cc2ccc3c(c2)CCC3)[C@H]2CCCC[C@H]12 ZINC001203019387 1131685844 /nfs/dbraw/zinc/68/58/44/1131685844.db2.gz PQMRPPXVKAHGPX-ROUUACIJSA-N 0 1 283.415 3.509 20 0 CHADMN [O-]c1cnccc1C[N@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001140280005 1131687210 /nfs/dbraw/zinc/68/72/10/1131687210.db2.gz YUJUVUUXRXSBNH-QGZVFWFLSA-N 0 1 296.414 3.632 20 0 CHADMN CCc1cc(CN[C@H](c2cccnc2)C2CCCCC2)[nH]n1 ZINC000846147441 1131695543 /nfs/dbraw/zinc/69/55/43/1131695543.db2.gz VDTQNGSWFCPNSU-SFHVURJKSA-N 0 1 298.434 3.778 20 0 CHADMN CC[C@@H]1CCN(Cc2cc(F)c(F)cc2Cl)C1 ZINC001144732313 1131696450 /nfs/dbraw/zinc/69/64/50/1131696450.db2.gz UDTPAWBMTLBHAL-SECBINFHSA-N 0 1 259.727 3.850 20 0 CHADMN Cc1ccc2n[nH]c(CN(C)Cc3ccc(F)cc3)c2c1 ZINC001140328163 1131698909 /nfs/dbraw/zinc/69/89/09/1131698909.db2.gz WLHARGOVQKQSNM-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN Cc1ccc2n[nH]c(CN3Cc4ccccc4C[C@@H]3C)c2c1 ZINC001140333154 1131700230 /nfs/dbraw/zinc/70/02/30/1131700230.db2.gz DFUUJKIEHSCCMI-AWEZNQCLSA-N 0 1 291.398 3.818 20 0 CHADMN Cc1ccc2[nH]nc(CN3Cc4ccccc4C[C@@H]3C)c2c1 ZINC001140333154 1131700233 /nfs/dbraw/zinc/70/02/33/1131700233.db2.gz DFUUJKIEHSCCMI-AWEZNQCLSA-N 0 1 291.398 3.818 20 0 CHADMN CN(Cc1cccc(-c2nccs2)c1)Cc1ccccn1 ZINC001140336086 1131701559 /nfs/dbraw/zinc/70/15/59/1131701559.db2.gz QNUJQCPBFHMLLF-UHFFFAOYSA-N 0 1 295.411 3.837 20 0 CHADMN C/C(=C\C[N@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000846242209 1131702495 /nfs/dbraw/zinc/70/24/95/1131702495.db2.gz XLICZWWKLAELNT-ZKQHCESOSA-N 0 1 293.794 3.896 20 0 CHADMN C/C(=C\C[N@H+]([C@@H](C)c1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000846239611 1131702974 /nfs/dbraw/zinc/70/29/74/1131702974.db2.gz SNACIFRRQJZTGF-ZKQHCESOSA-N 0 1 293.794 3.896 20 0 CHADMN CC(C)=CCCN[C@@H](C)c1nc(Br)cs1 ZINC000834784214 1131704176 /nfs/dbraw/zinc/70/41/76/1131704176.db2.gz UKNAAFMTAPINBX-VIFPVBQESA-N 0 1 289.242 3.913 20 0 CHADMN C/C(=C\C[N@@H+](CC1CCC1)[C@H](C)c1ccccc1)C(=O)[O-] ZINC000846249109 1131704911 /nfs/dbraw/zinc/70/49/11/1131704911.db2.gz CUBHDRGDAMZJKY-ATGUSINASA-N 0 1 287.403 3.881 20 0 CHADMN C[C@@H]1CN(Cc2ccc(-c3ccccn3)cc2)CCCC1=O ZINC001140377209 1131708915 /nfs/dbraw/zinc/70/89/15/1131708915.db2.gz RSLNURIYNONVAE-OAHLLOKOSA-N 0 1 294.398 3.550 20 0 CHADMN CC[C@H](C)[C@@H](C)N(C(=O)c1cc(F)cc(F)c1O)C1CC1 ZINC001144848478 1131711972 /nfs/dbraw/zinc/71/19/72/1131711972.db2.gz BHVSHENONQHYRL-VHSXEESVSA-N 0 1 297.345 3.710 20 0 CHADMN COc1ccnc(NCc2ccc(C(C)C)cc2)c1 ZINC000083416543 1131714371 /nfs/dbraw/zinc/71/43/71/1131714371.db2.gz VSFARMCYDADUDP-UHFFFAOYSA-N 0 1 256.349 3.826 20 0 CHADMN Cc1cccc(OCCCN[C@H](C)c2cscn2)c1 ZINC000772952272 1131724659 /nfs/dbraw/zinc/72/46/59/1131724659.db2.gz QTSCULRSXOYKRO-CYBMUJFWSA-N 0 1 276.405 3.571 20 0 CHADMN CCCC1CCC(Oc2nc(=O)[nH]c3c2CO[C@@H]3C)CC1 ZINC001227709153 1131727180 /nfs/dbraw/zinc/72/71/80/1131727180.db2.gz BEQJPTUYSGJWNH-VOMCLLRMSA-N 0 1 292.379 3.511 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1cnc2ccc(Cl)cn12 ZINC001140431203 1131733926 /nfs/dbraw/zinc/73/39/26/1131733926.db2.gz JMRCRQVXOVYQDC-NWDGAFQWSA-N 0 1 277.799 3.608 20 0 CHADMN Fc1cc(CN2CC[C@H](c3ccccc3)C2)cnc1Cl ZINC000846790990 1131736200 /nfs/dbraw/zinc/73/62/00/1131736200.db2.gz NZKKWQGICSWLOE-AWEZNQCLSA-N 0 1 290.769 3.864 20 0 CHADMN CC1(C)CN(Cc2ccccc2-c2nccs2)C1 ZINC001140449514 1131743228 /nfs/dbraw/zinc/74/32/28/1131743228.db2.gz QLLRKHSVPIINJT-UHFFFAOYSA-N 0 1 258.390 3.652 20 0 CHADMN C[C@H]1CN(CC2(Br)CC2)[C@@H]1c1ccccc1 ZINC000846812626 1131744252 /nfs/dbraw/zinc/74/42/52/1131744252.db2.gz VRPCUQRJDRVRRM-AAEUAGOBSA-N 0 1 280.209 3.607 20 0 CHADMN C[C@@H](NCC1(Br)CC1)c1cccc(F)c1F ZINC000846846129 1131751343 /nfs/dbraw/zinc/75/13/43/1131751343.db2.gz COJRZANCGREWGZ-MRVPVSSYSA-N 0 1 290.151 3.543 20 0 CHADMN COc1cc(F)cc(CN2CCC(F)(F)C(C)(C)C2)c1 ZINC001140478718 1131757456 /nfs/dbraw/zinc/75/74/56/1131757456.db2.gz YUKOCUSIRLPTKA-UHFFFAOYSA-N 0 1 287.325 3.702 20 0 CHADMN COc1cc(F)cc(CN2CCc3ccccc3[C@H]2C)c1 ZINC001140477621 1131758388 /nfs/dbraw/zinc/75/83/88/1131758388.db2.gz HWGCFDYBICAJSZ-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN COc1cc(F)cc(CN2Cc3ccccc3C[C@@H]2C)c1 ZINC001140484581 1131761490 /nfs/dbraw/zinc/76/14/90/1131761490.db2.gz VFFRTAWJYUZXDF-ZDUSSCGKSA-N 0 1 285.362 3.781 20 0 CHADMN CC(=O)C1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000846943786 1131762090 /nfs/dbraw/zinc/76/20/90/1131762090.db2.gz NJTOEVWDLZKQOJ-NSCUHMNNSA-N 0 1 277.795 3.654 20 0 CHADMN OCC1([C@@H](NCc2ccoc2)c2ccccc2)CCCC1 ZINC000835066812 1131768460 /nfs/dbraw/zinc/76/84/60/1131768460.db2.gz UTMHQLRQABKFMM-KRWDZBQOSA-N 0 1 285.387 3.663 20 0 CHADMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1C(=O)[O-] ZINC001140503370 1131770975 /nfs/dbraw/zinc/77/09/75/1131770975.db2.gz XWPQRBCLGNVBBL-GOSISDBHSA-N 0 1 295.382 3.894 20 0 CHADMN COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC001140503840 1131771134 /nfs/dbraw/zinc/77/11/34/1131771134.db2.gz PMZZFRDQWGUILT-ZDUSSCGKSA-N 0 1 299.370 3.586 20 0 CHADMN Fc1cc(Cl)cc(CN2CCC3(CCCO3)CC2)c1 ZINC001140538539 1131783376 /nfs/dbraw/zinc/78/33/76/1131783376.db2.gz FBWRDSGDSKZDPQ-UHFFFAOYSA-N 0 1 283.774 3.624 20 0 CHADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)cc(Cl)c1 ZINC001140542947 1131786589 /nfs/dbraw/zinc/78/65/89/1131786589.db2.gz VGTGZZLJUABJDR-YIONKMFJSA-N 0 1 283.774 3.621 20 0 CHADMN c1ccc2c(c1)COC[C@@H]2Nc1cc(OCC2CC2)ccn1 ZINC001171291695 1131802418 /nfs/dbraw/zinc/80/24/18/1131802418.db2.gz GXUCHBCVYSHFGV-KRWDZBQOSA-N 0 1 296.370 3.554 20 0 CHADMN COc1cccc(NC(=O)c2c(O)cccc2Cl)c1C ZINC001147364704 1131818660 /nfs/dbraw/zinc/81/86/60/1131818660.db2.gz NAFGXWJZDYRZIQ-UHFFFAOYSA-N 0 1 291.734 3.615 20 0 CHADMN CC(C)[C@@H]1COCCN1Cc1csc2ccccc12 ZINC001140639395 1131837618 /nfs/dbraw/zinc/83/76/18/1131837618.db2.gz ZDDQUADPRCEVGC-HNNXBMFYSA-N 0 1 275.417 3.758 20 0 CHADMN Clc1c(O[C@H]2CN3CCC2CC3)ccc2ccccc21 ZINC001228256059 1131840126 /nfs/dbraw/zinc/84/01/26/1131840126.db2.gz QCHUNUMTFCCFMM-INIZCTEOSA-N 0 1 287.790 3.966 20 0 CHADMN O=C1CCN(Cc2cccc3ccncc32)[C@@H]2CCCC[C@@H]12 ZINC001140640579 1131842026 /nfs/dbraw/zinc/84/20/26/1131842026.db2.gz PWKMZNSFZZPIJM-SJLPKXTDSA-N 0 1 294.398 3.568 20 0 CHADMN CC[C@H](C)c1cccc(NC(=O)CCc2cc(C)[nH]n2)c1 ZINC001148024796 1131842446 /nfs/dbraw/zinc/84/24/46/1131842446.db2.gz ZOZMLJQOZODRCW-LBPRGKRZSA-N 0 1 285.391 3.803 20 0 CHADMN FC(F)(F)[C@@H]1CC[N@@H+](Cc2cccc3ccncc32)C1 ZINC001140643662 1131843505 /nfs/dbraw/zinc/84/35/05/1131843505.db2.gz HMYICJHAHIJVGW-CYBMUJFWSA-N 0 1 280.293 3.619 20 0 CHADMN CCC[N@H+]1CCCC[C@H]1C(=O)NCCCCC1CCCC1 ZINC001148183601 1131845597 /nfs/dbraw/zinc/84/55/97/1131845597.db2.gz HGMAZYXAYGJVQE-KRWDZBQOSA-N 0 1 294.483 3.728 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1cc(C)c(O)c(C)c1)C2 ZINC001140654922 1131849293 /nfs/dbraw/zinc/84/92/93/1131849293.db2.gz KZTXOYRYCUJLRQ-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN CN(C)Cc1ccc(NC(=O)C[C@H]2CC=CCC2)cc1F ZINC001148334305 1131850536 /nfs/dbraw/zinc/85/05/36/1131850536.db2.gz HMJYKGHFCHOKSI-ZDUSSCGKSA-N 0 1 290.382 3.572 20 0 CHADMN Cc1nc2ccc(O[C@@H](C)c3ccc(C)nc3)cc2[nH]1 ZINC001228327688 1131859132 /nfs/dbraw/zinc/85/91/32/1131859132.db2.gz TYFIYLPCIOFAQY-NSHDSACASA-N 0 1 267.332 3.715 20 0 CHADMN Cc1nc2ccc(OC(C(F)(F)F)C(F)(F)F)cc2[nH]1 ZINC001228326185 1131860406 /nfs/dbraw/zinc/86/04/06/1131860406.db2.gz GOLGPEOCTLOROI-UHFFFAOYSA-N 0 1 298.186 3.743 20 0 CHADMN CCN(Cc1cc(Br)c(C)cc1F)C1CC1 ZINC001140697083 1131872857 /nfs/dbraw/zinc/87/28/57/1131872857.db2.gz DRFLKIVUWWRCMX-UHFFFAOYSA-N 0 1 286.188 3.881 20 0 CHADMN CO[C@H](CSc1nc(C(C)(C)C)n[nH]1)c1ccccc1 ZINC000282709603 1131879454 /nfs/dbraw/zinc/87/94/54/1131879454.db2.gz URIZXGBTXZKSBA-GFCCVEGCSA-N 0 1 291.420 3.582 20 0 CHADMN CO[C@H](CSc1n[nH]c(C(C)(C)C)n1)c1ccccc1 ZINC000282709603 1131879464 /nfs/dbraw/zinc/87/94/64/1131879464.db2.gz URIZXGBTXZKSBA-GFCCVEGCSA-N 0 1 291.420 3.582 20 0 CHADMN Cc1noc([C@H](C)N[C@@H](C)CCSc2ccccc2)n1 ZINC000348098920 1131880162 /nfs/dbraw/zinc/88/01/62/1131880162.db2.gz VMFGFTGHSBKWEK-RYUDHWBXSA-N 0 1 291.420 3.600 20 0 CHADMN Cc1noc([C@@H](C)N[C@@H](C)CCSc2ccccc2)n1 ZINC000348098919 1131881307 /nfs/dbraw/zinc/88/13/07/1131881307.db2.gz VMFGFTGHSBKWEK-NWDGAFQWSA-N 0 1 291.420 3.600 20 0 CHADMN C[C@@H]1CCN(Cc2cc(Cl)ccc2N)CCC1(F)F ZINC001140716077 1131891637 /nfs/dbraw/zinc/89/16/37/1131891637.db2.gz CUHRCJHVHLQZLW-SNVBAGLBSA-N 0 1 288.769 3.789 20 0 CHADMN Fc1ccc(/C=C/CNc2cnccc2-n2cccn2)cc1 ZINC000348146243 1131895057 /nfs/dbraw/zinc/89/50/57/1131895057.db2.gz UMQAIUSVGUKBQH-HNQUOIGGSA-N 0 1 294.333 3.532 20 0 CHADMN CC[C@@]1(C)CCCN([C@H](C)C(=O)c2c[nH]c3ncccc23)C1 ZINC000348181049 1131900242 /nfs/dbraw/zinc/90/02/42/1131900242.db2.gz IIBBACDNBNNFFX-ACJLOTCBSA-N 0 1 299.418 3.646 20 0 CHADMN COc1cccc(Cl)c1CN1CCC[C@H](CF)C1 ZINC001140728912 1131900344 /nfs/dbraw/zinc/90/03/44/1131900344.db2.gz YDCXQMYIXQQPEW-LLVKDONJSA-N 0 1 271.763 3.530 20 0 CHADMN Cc1cc(CNC2(c3ccc(Cl)c(Cl)c3)CC2)[nH]n1 ZINC001325120145 1131903890 /nfs/dbraw/zinc/90/38/90/1131903890.db2.gz RNDPODMMESLPJA-UHFFFAOYSA-N 0 1 296.201 3.804 20 0 CHADMN Cc1ccc(F)c(CN2CCSC[C@@H]2C2CCC2)c1F ZINC001171345076 1131909777 /nfs/dbraw/zinc/90/97/77/1131909777.db2.gz VFVKVNZRTPJWGY-OAHLLOKOSA-N 0 1 297.414 3.991 20 0 CHADMN Cc1ccc([C@@H](C)NCc2nc3cc(F)ccc3n2C)cc1 ZINC000773001853 1131914547 /nfs/dbraw/zinc/91/45/47/1131914547.db2.gz QKNYVUKUUSGXGB-CYBMUJFWSA-N 0 1 297.377 3.872 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1coc3ccccc13)C2 ZINC001140782565 1131915665 /nfs/dbraw/zinc/91/56/65/1131915665.db2.gz IOYLBNMKSTUFJY-UHFFFAOYSA-N 0 1 293.366 4.000 20 0 CHADMN Cc1cc(F)ccc1CN1CC[C@H]1COCc1ccccc1 ZINC001140782093 1131916752 /nfs/dbraw/zinc/91/67/52/1131916752.db2.gz FWTHJIINQHFRBQ-IBGZPJMESA-N 0 1 299.389 3.925 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC001140797632 1131923205 /nfs/dbraw/zinc/92/32/05/1131923205.db2.gz JESZFUSTYCTOJZ-NSHDSACASA-N 0 1 253.773 3.668 20 0 CHADMN Cc1ccc(CN2C[C@H]3[C@H](CC3(F)F)C2)c(Cl)c1 ZINC001140797292 1131924988 /nfs/dbraw/zinc/92/49/88/1131924988.db2.gz RZBFDJDQHKAJBN-NEPJUHHUSA-N 0 1 271.738 3.735 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1ccc(OC)cc1C ZINC000773059211 1131932241 /nfs/dbraw/zinc/93/22/41/1131932241.db2.gz LUQMVPMLKXUYAO-GFCCVEGCSA-N 0 1 288.391 3.713 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cccc(F)n2)c1C ZINC000773092466 1131942582 /nfs/dbraw/zinc/94/25/82/1131942582.db2.gz AMXHOOZLCHFRSN-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN CCCOc1ccc([C@@H](C)NCc2cccc(F)n2)cc1 ZINC000773090651 1131944292 /nfs/dbraw/zinc/94/42/92/1131944292.db2.gz VLKJGNIECAWAML-CYBMUJFWSA-N 0 1 288.366 3.860 20 0 CHADMN Fc1cccc(CN[C@@H](CC2CC2)c2ccccc2)n1 ZINC000773095563 1131945123 /nfs/dbraw/zinc/94/51/23/1131945123.db2.gz MKEDKAOTKBVRNE-INIZCTEOSA-N 0 1 270.351 3.852 20 0 CHADMN C[C@@H](N[C@H](C)c1cc(F)c(F)c(F)c1)c1ccc[nH]1 ZINC000773115969 1131948523 /nfs/dbraw/zinc/94/85/23/1131948523.db2.gz COZHUYLXLPDBIO-RKDXNWHRSA-N 0 1 268.282 3.844 20 0 CHADMN COc1cc(F)c([C@@H](C)N[C@@H](C)c2ccc[nH]2)cc1OC ZINC000773124252 1131951335 /nfs/dbraw/zinc/95/13/35/1131951335.db2.gz WVWDFONWZPVPQE-MNOVXSKESA-N 0 1 292.354 3.583 20 0 CHADMN Nc1cccc(F)c1CN1CCC[C@H]1c1cccs1 ZINC001140874768 1131953892 /nfs/dbraw/zinc/95/38/92/1131953892.db2.gz HNJCDGOKZUPSNC-AWEZNQCLSA-N 0 1 276.380 3.807 20 0 CHADMN CN(CCc1cccc(Cl)c1)Cc1c(N)cccc1F ZINC001140875793 1131954230 /nfs/dbraw/zinc/95/42/30/1131954230.db2.gz ZZLDUFWZAPJAMQ-UHFFFAOYSA-N 0 1 292.785 3.736 20 0 CHADMN C[C@H]1CCCN1Cc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001140878154 1131955952 /nfs/dbraw/zinc/95/59/52/1131955952.db2.gz PHTPQEOCSQOUSW-QMMMGPOBSA-N 0 1 279.252 3.968 20 0 CHADMN Fc1cc(CN2CCC[C@H]3C[C@H]32)ccc1OC(F)(F)F ZINC001140889001 1131960240 /nfs/dbraw/zinc/96/02/40/1131960240.db2.gz YHFKXXCYQNXSFZ-CMPLNLGQSA-N 0 1 289.272 3.709 20 0 CHADMN CC(C)c1ncsc1NC(=O)c1cc(Cl)ccc1O ZINC001140900148 1131961550 /nfs/dbraw/zinc/96/15/50/1131961550.db2.gz DMCREQHOAQNBSU-UHFFFAOYSA-N 0 1 296.779 3.878 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1cnccc1C(F)(F)F ZINC001140919534 1131964209 /nfs/dbraw/zinc/96/42/09/1131964209.db2.gz VAVVOLYKOLOJCU-WDEREUQCSA-N 0 1 272.314 3.721 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccccc2Cl)n[nH]1 ZINC001203080881 1131967033 /nfs/dbraw/zinc/96/70/33/1131967033.db2.gz FZMUIRWIUGCZNG-NSHDSACASA-N 0 1 263.772 3.565 20 0 CHADMN Cc1nccnc1CN(Cc1ccccn1)C1CCCCC1 ZINC001140938188 1131967567 /nfs/dbraw/zinc/96/75/67/1131967567.db2.gz BEIXFYIEYZRNKD-UHFFFAOYSA-N 0 1 296.418 3.515 20 0 CHADMN CCN(Cc1cc(C)[nH]n1)Cc1cccc(C(F)(F)F)c1 ZINC001203080888 1131967906 /nfs/dbraw/zinc/96/79/06/1131967906.db2.gz GFSXDCMLISDBMS-UHFFFAOYSA-N 0 1 297.324 3.759 20 0 CHADMN Cc1cc(CN(C(C)C)[C@@H](C)c2ccccc2)[nH]n1 ZINC001203082886 1131975589 /nfs/dbraw/zinc/97/55/89/1131975589.db2.gz BFUDOKRJSPUJCF-AWEZNQCLSA-N 0 1 257.381 3.690 20 0 CHADMN CCCOc1cccc(CN[C@@H](C)c2ccns2)c1 ZINC000715921582 1131996517 /nfs/dbraw/zinc/99/65/17/1131996517.db2.gz PIPOELHYLHIYRJ-LBPRGKRZSA-N 0 1 276.405 3.783 20 0 CHADMN Cc1ncoc1CN(C)Cc1cccc2ccccc21 ZINC001141054809 1131997228 /nfs/dbraw/zinc/99/72/28/1131997228.db2.gz YHOFMJMUDRJQTP-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN COc1cccc([C@@H]2CCCCN2Cc2ocnc2C)c1 ZINC001141052927 1131997605 /nfs/dbraw/zinc/99/76/05/1131997605.db2.gz RLYCIPFIDYGHIC-INIZCTEOSA-N 0 1 286.375 3.719 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2ccns2)cc1C ZINC000715956887 1131999014 /nfs/dbraw/zinc/99/90/14/1131999014.db2.gz XUBQZKHQBBWSKS-CYBMUJFWSA-N 0 1 260.406 3.919 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccns2)cc1 ZINC000715964774 1132000759 /nfs/dbraw/zinc/00/07/59/1132000759.db2.gz GADYCILFOGYZEV-WDEREUQCSA-N 0 1 262.378 3.564 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@@H](C)c2ccns2)s1 ZINC000716033278 1132002145 /nfs/dbraw/zinc/00/21/45/1132002145.db2.gz JKGTUFHOPLEVGC-JGVFFNPUSA-N 0 1 267.423 3.628 20 0 CHADMN CCCCc1ncc(CN2Cc3cccc(Cl)c3C2)[nH]1 ZINC001141071423 1132002221 /nfs/dbraw/zinc/00/22/21/1132002221.db2.gz OHOBKBOBOVLVFL-UHFFFAOYSA-N 0 1 289.810 3.922 20 0 CHADMN C[C@@H](NCc1ccc(Cl)s1)c1ccns1 ZINC000716031562 1132002293 /nfs/dbraw/zinc/00/22/93/1132002293.db2.gz RNDFTFQXZHOMJT-SSDOTTSWSA-N 0 1 258.799 3.709 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)c2ccns2)c1 ZINC000716046244 1132003339 /nfs/dbraw/zinc/00/33/39/1132003339.db2.gz FZOFBRFPLJGIER-MNOVXSKESA-N 0 1 289.404 3.513 20 0 CHADMN CCCCc1nc(CN2CCC(c3ccncc3)CC2)c[nH]1 ZINC001141069800 1132003734 /nfs/dbraw/zinc/00/37/34/1132003734.db2.gz DOPGNDLBJNBXRK-UHFFFAOYSA-N 0 1 298.434 3.527 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2ccns2)cs1 ZINC000715989548 1132007234 /nfs/dbraw/zinc/00/72/34/1132007234.db2.gz GEQDXBULKIKCAY-ZJUUUORDSA-N 0 1 252.408 3.925 20 0 CHADMN C[C@H](NCc1ccc(C(F)F)cc1)c1ccns1 ZINC000716015300 1132008209 /nfs/dbraw/zinc/00/82/09/1132008209.db2.gz QFVDDBDPHWFVAY-VIFPVBQESA-N 0 1 268.332 3.932 20 0 CHADMN Cc1cccc(CN(C)C(C)(C)C)c1Br ZINC001141091867 1132010984 /nfs/dbraw/zinc/01/09/84/1132010984.db2.gz WRZVMLQYPVQUPZ-UHFFFAOYSA-N 0 1 270.214 3.988 20 0 CHADMN COc1cc(Nc2ccc(-c3nnc(C)o3)cc2)ncc1C ZINC001203093237 1132012381 /nfs/dbraw/zinc/01/23/81/1132012381.db2.gz QQDRVALZPMGQNT-UHFFFAOYSA-N 0 1 296.330 3.501 20 0 CHADMN CC(C)N1CCC[C@@H](Oc2ccc(Cl)nc2Cl)C1 ZINC001229091645 1132015657 /nfs/dbraw/zinc/01/56/57/1132015657.db2.gz NYBDBSDYFBHJGJ-SNVBAGLBSA-N 0 1 289.206 3.640 20 0 CHADMN CCC1(NC(=O)c2[nH]nc3c2CCCCC3)CCCCC1 ZINC001141176434 1132033720 /nfs/dbraw/zinc/03/37/20/1132033720.db2.gz GQFQACIKQIFMHJ-UHFFFAOYSA-N 0 1 289.423 3.521 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2c2ccccn2)c(F)c1 ZINC001141194802 1132039268 /nfs/dbraw/zinc/03/92/68/1132039268.db2.gz OFLFQDMDQRKSRQ-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN CCc1ccc(C)nc1NCc1ccc2c(c1)C[C@@H](C)O2 ZINC001203105205 1132045190 /nfs/dbraw/zinc/04/51/90/1132045190.db2.gz OPKAWYYULYWXLL-CYBMUJFWSA-N 0 1 282.387 3.888 20 0 CHADMN CCc1ccccc1CN1CC[C@@](C)(F)[C@@H](F)C1 ZINC001141224110 1132047727 /nfs/dbraw/zinc/04/77/27/1132047727.db2.gz DTVUHZBBTLUPFX-LSDHHAIUSA-N 0 1 253.336 3.521 20 0 CHADMN CCc1ccccc1CN(C)Cc1cccc2c1OCO2 ZINC001141228269 1132049573 /nfs/dbraw/zinc/04/95/73/1132049573.db2.gz FDSHSJZXMWVQOL-UHFFFAOYSA-N 0 1 283.371 3.610 20 0 CHADMN COc1cc(F)c(CN2CCC[C@@](C)(F)CC2)cc1OC ZINC001141272257 1132066834 /nfs/dbraw/zinc/06/68/34/1132066834.db2.gz BZAWLXMYUXYPTK-MRXNPFEDSA-N 0 1 299.361 3.557 20 0 CHADMN Cc1ccc(CC[C@@H](C)n2c3ccccc3nc2CN)cc1 ZINC001171656194 1132069349 /nfs/dbraw/zinc/06/93/49/1132069349.db2.gz WVJTVAZESKIDGR-OAHLLOKOSA-N 0 1 293.414 3.997 20 0 CHADMN C[N@@H+](Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1)C1CC1 ZINC001141348736 1132096595 /nfs/dbraw/zinc/09/65/95/1132096595.db2.gz PXHJHJPSWMHBSX-UHFFFAOYSA-N 0 1 281.355 3.646 20 0 CHADMN C=COc1ccc(NC(=O)c2c(C)n[nH]c2C(C)C)cc1 ZINC000837764636 1132100362 /nfs/dbraw/zinc/10/03/62/1132100362.db2.gz ZRVVHORXULRYTM-UHFFFAOYSA-N 0 1 285.347 3.616 20 0 CHADMN Fc1cccc2c1C[C@H](N1CCC[C@H]1c1nccs1)C2 ZINC001171806980 1132104111 /nfs/dbraw/zinc/10/41/11/1132104111.db2.gz MUMVDXPISFHBBE-DOMZBBRYSA-N 0 1 288.391 3.587 20 0 CHADMN c1ccc2[nH]c(CN3CCC(C4CCC4)CC3)nc2c1 ZINC001171840649 1132106781 /nfs/dbraw/zinc/10/67/81/1132106781.db2.gz FYTNBNIFUCBIJI-UHFFFAOYSA-N 0 1 269.392 3.575 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C[C@H]2CC=CCC2)c1 ZINC001141416499 1132118819 /nfs/dbraw/zinc/11/88/19/1132118819.db2.gz JMEGHSUTTCHZAZ-LBPRGKRZSA-N 0 1 287.359 3.670 20 0 CHADMN CC(=O)[C@H](N[C@@H]1CSc2ccccc2C1)c1ccccc1 ZINC001172184638 1132136031 /nfs/dbraw/zinc/13/60/31/1132136031.db2.gz OCPRAUSZINFCID-WMZOPIPTSA-N 0 1 297.423 3.623 20 0 CHADMN Cc1ccc2cc(CN3CCc4occc4C3)ccc2n1 ZINC001141482594 1132140855 /nfs/dbraw/zinc/14/08/55/1132140855.db2.gz AVRSUFUXLCPQPH-UHFFFAOYSA-N 0 1 278.355 3.695 20 0 CHADMN CC(=O)c1cc2ccccc2cc1O[C@H]1CCCN(C)C1 ZINC001230068194 1132152433 /nfs/dbraw/zinc/15/24/33/1132152433.db2.gz YMSIBIJBMGYFSE-INIZCTEOSA-N 0 1 283.371 3.515 20 0 CHADMN CC(=O)c1cc2ccccc2cc1O[C@H]1CN2CCC1CC2 ZINC001230065514 1132152700 /nfs/dbraw/zinc/15/27/00/1132152700.db2.gz GKBQNBYFBIBRKQ-IBGZPJMESA-N 0 1 295.382 3.515 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@H](C(C)C)C(F)(F)F ZINC001230223900 1132161620 /nfs/dbraw/zinc/16/16/20/1132161620.db2.gz WVFMIBASVQKTSN-GFCCVEGCSA-N 0 1 272.270 3.837 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@H]1CCC(=O)c2ccccc21 ZINC001230224043 1132161855 /nfs/dbraw/zinc/16/18/55/1132161855.db2.gz XXMIXWVRPNSSQR-KRWDZBQOSA-N 0 1 292.338 3.968 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001230225773 1132163308 /nfs/dbraw/zinc/16/33/08/1132163308.db2.gz YFVKKAMWLAJDMA-XYYAHUGASA-N 0 1 256.349 3.685 20 0 CHADMN CC1(C)C[C@@H](N2CCC[C@@H]2c2cc(F)cc(F)c2)CO1 ZINC001172291660 1132164669 /nfs/dbraw/zinc/16/46/69/1132164669.db2.gz BNAYDNAXFBSNBC-HUUCEWRRSA-N 0 1 281.346 3.669 20 0 CHADMN CC1(C)C[C@@H](N2CCC[C@@H]2c2c(F)cccc2F)CO1 ZINC001172293035 1132165974 /nfs/dbraw/zinc/16/59/74/1132165974.db2.gz PFZMYNPVWNENAC-BXUZGUMPSA-N 0 1 281.346 3.669 20 0 CHADMN CC[C@H](CC(C)C)N1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001172404409 1132196557 /nfs/dbraw/zinc/19/65/57/1132196557.db2.gz WUIVCSASPMWSME-ZIAGYGMSSA-N 0 1 284.444 3.710 20 0 CHADMN Cc1nc2ccc(Nc3cc(-c4ccccn4)no3)cc2[nH]1 ZINC001213071438 1132196782 /nfs/dbraw/zinc/19/67/82/1132196782.db2.gz SDCCRCDWCDVDBO-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN CC1(C2CC2)CCN(C(=O)c2ccc(Cl)c(O)c2)CC1 ZINC001141621750 1132213001 /nfs/dbraw/zinc/21/30/01/1132213001.db2.gz JHSQFAZDGKUAPK-UHFFFAOYSA-N 0 1 293.794 3.698 20 0 CHADMN Fc1cc2ncccc2cc1C[N@@H+](CC1CC1)C1CC1 ZINC001141634667 1132218562 /nfs/dbraw/zinc/21/85/62/1132218562.db2.gz MRCHPDVLSLEXNX-UHFFFAOYSA-N 0 1 270.351 3.748 20 0 CHADMN CC(C)COCC[C@H](C)N1Cc2ccc(F)cc2C1 ZINC001172476927 1132227558 /nfs/dbraw/zinc/22/75/58/1132227558.db2.gz UHFPYAKRUAEJGF-ZDUSSCGKSA-N 0 1 265.372 3.593 20 0 CHADMN O=C1CC[C@H](Oc2cc3[nH]ncc3c(F)c2)c2ccccc21 ZINC001230930244 1132230204 /nfs/dbraw/zinc/23/02/04/1132230204.db2.gz AAWMNHDEABRPAS-KRWDZBQOSA-N 0 1 296.301 3.799 20 0 CHADMN C[C@@H](Oc1cc2[nH]ncc2c(F)c1)c1cccc(N(C)C)c1 ZINC001230930843 1132230498 /nfs/dbraw/zinc/23/04/98/1132230498.db2.gz IYLQTJIOUWKXAR-LLVKDONJSA-N 0 1 299.349 3.908 20 0 CHADMN FC(F)(F)c1cncc(CN2CC[C@H](C3CCC3)C2)c1 ZINC000839679484 1132230739 /nfs/dbraw/zinc/23/07/39/1132230739.db2.gz HFIJNIDOOIPSHG-ZDUSSCGKSA-N 0 1 284.325 3.722 20 0 CHADMN C[C@H](Oc1cc2[nH]ncc2c(F)c1)c1cccc(F)c1 ZINC001230931399 1132230971 /nfs/dbraw/zinc/23/09/71/1132230971.db2.gz NISSGUJPHNFCCM-VIFPVBQESA-N 0 1 274.270 3.981 20 0 CHADMN Fc1cc(O[C@H]2CCOc3ccccc32)cc2[nH]ncc21 ZINC001230931883 1132231256 /nfs/dbraw/zinc/23/12/56/1132231256.db2.gz RIRGOQNIYVOCLD-INIZCTEOSA-N 0 1 284.290 3.605 20 0 CHADMN CC(C)COCC[C@@H](C)N(C)Cc1cccc(F)c1F ZINC001172485849 1132231484 /nfs/dbraw/zinc/23/14/84/1132231484.db2.gz ZJPCBDLEDNBQID-CYBMUJFWSA-N 0 1 285.378 3.848 20 0 CHADMN CC(C)COCC[C@H](C)NCc1c(F)cc(F)cc1F ZINC001172462212 1132243436 /nfs/dbraw/zinc/24/34/36/1132243436.db2.gz NHBFHUZESCIRRN-NSHDSACASA-N 0 1 289.341 3.645 20 0 CHADMN C[C@H]1CCCN1CN1C(=O)C2(CCCC2)[C@@H]1c1ccccc1 ZINC000840015532 1132246068 /nfs/dbraw/zinc/24/60/68/1132246068.db2.gz QMUIMANTZJCYRI-RDJZCZTQSA-N 0 1 298.430 3.572 20 0 CHADMN Brc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1 ZINC000401818407 1132246959 /nfs/dbraw/zinc/24/69/59/1132246959.db2.gz YAIPQFWJNHNJIX-LBPRGKRZSA-N 0 1 292.180 3.662 20 0 CHADMN Fc1ccc2occ(C[N@H+]3CC[C@@H]4CCCO[C@@H]4C3)c2c1 ZINC001141849227 1132255478 /nfs/dbraw/zinc/25/54/78/1132255478.db2.gz XWRXUAHCQMXULQ-YVEFUNNKSA-N 0 1 289.350 3.573 20 0 CHADMN Fc1ccc2occ(CN3CC[C@@H]4CCCO[C@@H]4C3)c2c1 ZINC001141849227 1132255483 /nfs/dbraw/zinc/25/54/83/1132255483.db2.gz XWRXUAHCQMXULQ-YVEFUNNKSA-N 0 1 289.350 3.573 20 0 CHADMN Cc1nc[nH]c1-c1nc(-c2cccc(Cl)c2Cl)no1 ZINC001212668605 1132262847 /nfs/dbraw/zinc/26/28/47/1132262847.db2.gz HBFWYOBLZYGABA-UHFFFAOYSA-N 0 1 295.129 3.742 20 0 CHADMN Cc1nc[nH]c1-c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC001212668770 1132265821 /nfs/dbraw/zinc/26/58/21/1132265821.db2.gz PBVJQMLDJPNWSY-UHFFFAOYSA-N 0 1 282.347 3.733 20 0 CHADMN Cc1noc(C2(N[C@@H]3CCC[C@@H](c4ccccc4)C3)CC2)n1 ZINC001172537295 1132274007 /nfs/dbraw/zinc/27/40/07/1132274007.db2.gz OCPAAFQNNOYEHM-HZPDHXFCSA-N 0 1 297.402 3.683 20 0 CHADMN Cc1cnc(CN)n1[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172541086 1132277023 /nfs/dbraw/zinc/27/70/23/1132277023.db2.gz SMIKKHNTESWTDZ-HZPDHXFCSA-N 0 1 269.392 3.549 20 0 CHADMN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2ccc(N=O)cc2)C1 ZINC001231289358 1132278859 /nfs/dbraw/zinc/27/88/59/1132278859.db2.gz OSWQFYUSWGMMKM-XJKSGUPXSA-N 0 1 297.358 3.694 20 0 CHADMN CC(C)Oc1cc(-c2ccc(CN(C)C)cn2)ccc1F ZINC001206171786 1132287160 /nfs/dbraw/zinc/28/71/60/1132287160.db2.gz OEJRVTJUMWYOAJ-UHFFFAOYSA-N 0 1 288.366 3.737 20 0 CHADMN Cc1ccc(CN2CC[C@@H]3CCCO[C@@H]3C2)cc1Cl ZINC001231421763 1132291940 /nfs/dbraw/zinc/29/19/40/1132291940.db2.gz PVRBFUIXSNLNID-GOEBONIOSA-N 0 1 279.811 3.649 20 0 CHADMN Cc1n[nH]cc1-c1nc(-c2ccc(OC(C)(C)C)cc2)no1 ZINC001212677600 1132292879 /nfs/dbraw/zinc/29/28/79/1132292879.db2.gz HCKZSOVFWATOCW-UHFFFAOYSA-N 0 1 298.346 3.612 20 0 CHADMN Cc1ccc(CN(C)C2CC(F)(F)C2)cc1Cl ZINC001231418425 1132292895 /nfs/dbraw/zinc/29/28/95/1132292895.db2.gz UFEFTTHGAVYJEN-UHFFFAOYSA-N 0 1 259.727 3.878 20 0 CHADMN c1csc(-c2ccc(CN3CCOC4(CC4)C3)cc2)c1 ZINC001231430642 1132293873 /nfs/dbraw/zinc/29/38/73/1132293873.db2.gz JDTYZQPDARTEHA-UHFFFAOYSA-N 0 1 285.412 3.780 20 0 CHADMN Cc1ccc(CN(C)Cc2cccnc2C)cc1Cl ZINC001231425884 1132294299 /nfs/dbraw/zinc/29/42/99/1132294299.db2.gz ZZHRBICEQFRINL-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN C[C@@]1(F)CCCN([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172718652 1132295887 /nfs/dbraw/zinc/29/58/87/1132295887.db2.gz JPQYKIWQNITNOP-LSDHHAIUSA-N 0 1 267.775 3.631 20 0 CHADMN Clc1ccnc(CNC2CCC3(CCCC3)CC2)n1 ZINC001172723322 1132297290 /nfs/dbraw/zinc/29/72/90/1132297290.db2.gz BKWHJLZCZKRCID-UHFFFAOYSA-N 0 1 279.815 3.723 20 0 CHADMN CCCCC[C@H](C)NCc1nccc(C(F)(F)F)n1 ZINC000840866177 1132297669 /nfs/dbraw/zinc/29/76/69/1132297669.db2.gz GQAZJVYAMGKSMU-JTQLQIEISA-N 0 1 275.318 3.554 20 0 CHADMN Cc1cc(C)c(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1C ZINC001231482718 1132299073 /nfs/dbraw/zinc/29/90/73/1132299073.db2.gz PTBRIAKCWSZCCI-MSOLQXFVSA-N 0 1 285.431 3.945 20 0 CHADMN CN(CC(=O)OC(C)(C)C)C1CCC2(CCCC2)CC1 ZINC001172727802 1132302347 /nfs/dbraw/zinc/30/23/47/1132302347.db2.gz XVTYYBBVHPORQV-UHFFFAOYSA-N 0 1 281.440 3.763 20 0 CHADMN Fc1cc(CNc2nccn2C2CC2)ccc1Cl ZINC000840887123 1132304696 /nfs/dbraw/zinc/30/46/96/1132304696.db2.gz JQDBSCJJEGMIRG-UHFFFAOYSA-N 0 1 265.719 3.623 20 0 CHADMN c1ccc(-c2cccc(CN3CCOC4(CC4)C3)c2)cc1 ZINC001231511744 1132311145 /nfs/dbraw/zinc/31/11/45/1132311145.db2.gz VVQDSJPUFGSXIF-UHFFFAOYSA-N 0 1 279.383 3.718 20 0 CHADMN Cc1cccc(CN(C)Cc2cc(Br)c[nH]2)c1 ZINC001231570961 1132315158 /nfs/dbraw/zinc/31/51/58/1132315158.db2.gz ARHKKKAXBVSQGM-UHFFFAOYSA-N 0 1 293.208 3.718 20 0 CHADMN C[C@@]1(F)CCCN(Cc2nc3c(s2)CCCC3)CC1 ZINC001231580233 1132318365 /nfs/dbraw/zinc/31/83/65/1132318365.db2.gz KXVCLEFYKULLPK-OAHLLOKOSA-N 0 1 282.428 3.736 20 0 CHADMN Cc1ccc(-c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)o1 ZINC001231595226 1132321183 /nfs/dbraw/zinc/32/11/83/1132321183.db2.gz RGGRSIWBQWKXDP-HUUCEWRRSA-N 0 1 285.387 3.864 20 0 CHADMN Cc1ccc(-c2ccc(CN3C[C@@H](C)OC[C@@H]3C)cc2)o1 ZINC001231600063 1132323250 /nfs/dbraw/zinc/32/32/50/1132323250.db2.gz SFCDOZRJXWEAGX-DZGCQCFKSA-N 0 1 285.387 3.864 20 0 CHADMN COc1cc(F)ccc1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001231604280 1132325319 /nfs/dbraw/zinc/32/53/19/1132325319.db2.gz XNORSXNNQDYDCK-XJKSGUPXSA-N 0 1 277.383 3.989 20 0 CHADMN Cc1ncc(C[N@@H+](Cc2ccccn2)C2CCCCC2)cn1 ZINC001203118104 1132329747 /nfs/dbraw/zinc/32/97/47/1132329747.db2.gz VTGPXPWOFFQEGT-UHFFFAOYSA-N 0 1 296.418 3.515 20 0 CHADMN Cc1ncc(CN(Cc2ccccn2)C2CCCCC2)cn1 ZINC001203118104 1132329754 /nfs/dbraw/zinc/32/97/54/1132329754.db2.gz VTGPXPWOFFQEGT-UHFFFAOYSA-N 0 1 296.418 3.515 20 0 CHADMN Cc1ccc(CN2CCCC3(CCC3)C2)c(Cl)n1 ZINC001142143764 1132333236 /nfs/dbraw/zinc/33/32/36/1132333236.db2.gz CFUAEAFCCUIVBF-UHFFFAOYSA-N 0 1 264.800 3.810 20 0 CHADMN Cc1sc2ccccc2c1CN1CCc2ncn(C)c2C1 ZINC001231644706 1132334504 /nfs/dbraw/zinc/33/45/04/1132334504.db2.gz AGTBZTHBKNVQMC-UHFFFAOYSA-N 0 1 297.427 3.502 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc(CC)cc2)cn1 ZINC001231656240 1132335578 /nfs/dbraw/zinc/33/55/78/1132335578.db2.gz JVQANHAYRWQRLP-UHFFFAOYSA-N 0 1 284.403 3.675 20 0 CHADMN C[C@@H](Cc1c(F)cccc1Cl)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001172847962 1132337466 /nfs/dbraw/zinc/33/74/66/1132337466.db2.gz QNPYERBYALIEBQ-SDDRHHMPSA-N 0 1 295.785 3.606 20 0 CHADMN O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1ccc(O)c(Cl)c1 ZINC001142215322 1132343546 /nfs/dbraw/zinc/34/35/46/1132343546.db2.gz SEWJQPSYMQYFKU-QWHCGFSZSA-N 0 1 293.794 3.602 20 0 CHADMN CC[C@H](C)N(C)Cc1c(Cl)cc(OC)cc1OC ZINC001231697773 1132346447 /nfs/dbraw/zinc/34/64/47/1132346447.db2.gz IVRZDXDCWLCOIJ-JTQLQIEISA-N 0 1 271.788 3.588 20 0 CHADMN COc1cc(Cl)c(CN2CC[C@@H](C)C[C@H]2C)c(OC)c1 ZINC001231696743 1132346584 /nfs/dbraw/zinc/34/65/84/1132346584.db2.gz JCNNUSDOQQJRMD-VXGBXAGGSA-N 0 1 297.826 3.978 20 0 CHADMN COc1cc(Cl)c(CN2CCC[C@H](C)C2)c(OC)c1 ZINC001231694442 1132347930 /nfs/dbraw/zinc/34/79/30/1132347930.db2.gz PJXDGQMYVOONCX-NSHDSACASA-N 0 1 283.799 3.589 20 0 CHADMN C[N@H+](Cc1ccc(Cl)c([O-])c1)C1CCCCC1 ZINC001231733131 1132349901 /nfs/dbraw/zinc/34/99/01/1132349901.db2.gz NUPMHFDVDYFSLN-UHFFFAOYSA-N 0 1 253.773 3.810 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)c([O-])c1)C1CCCCC1 ZINC001231733131 1132349910 /nfs/dbraw/zinc/34/99/10/1132349910.db2.gz NUPMHFDVDYFSLN-UHFFFAOYSA-N 0 1 253.773 3.810 20 0 CHADMN C[N@H+](CCc1ccccc1)Cc1ccc(Cl)c([O-])c1 ZINC001231732878 1132351375 /nfs/dbraw/zinc/35/13/75/1132351375.db2.gz ICFGPNSJGCHQLB-UHFFFAOYSA-N 0 1 275.779 3.720 20 0 CHADMN C[N@@H+](CCc1ccccc1)Cc1ccc(Cl)c([O-])c1 ZINC001231732878 1132351382 /nfs/dbraw/zinc/35/13/82/1132351382.db2.gz ICFGPNSJGCHQLB-UHFFFAOYSA-N 0 1 275.779 3.720 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(O)c1 ZINC001231735994 1132352056 /nfs/dbraw/zinc/35/20/56/1132352056.db2.gz WTGAQLBLJFGISI-LBPRGKRZSA-N 0 1 253.773 3.810 20 0 CHADMN CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([O-])c1 ZINC001231735994 1132352064 /nfs/dbraw/zinc/35/20/64/1132352064.db2.gz WTGAQLBLJFGISI-LBPRGKRZSA-N 0 1 253.773 3.810 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c([O-])c1 ZINC001231735994 1132352072 /nfs/dbraw/zinc/35/20/72/1132352072.db2.gz WTGAQLBLJFGISI-LBPRGKRZSA-N 0 1 253.773 3.810 20 0 CHADMN CCCCc1ccc(C[N@H+]2CCCC(=O)[C@H](C)C2)cc1 ZINC001231780733 1132356865 /nfs/dbraw/zinc/35/68/65/1132356865.db2.gz YLUVIJFKEDNZQK-OAHLLOKOSA-N 0 1 273.420 3.830 20 0 CHADMN CCCCc1ccc(CN2CCCC(=O)[C@H](C)C2)cc1 ZINC001231780733 1132356873 /nfs/dbraw/zinc/35/68/73/1132356873.db2.gz YLUVIJFKEDNZQK-OAHLLOKOSA-N 0 1 273.420 3.830 20 0 CHADMN C[C@H](CSc1ccc(Cl)cc1)N1C[C@H](C)O[C@@H](C)C1 ZINC001172881674 1132359163 /nfs/dbraw/zinc/35/91/63/1132359163.db2.gz KIZSUYSLEYMTEO-AGIUHOORSA-N 0 1 299.867 3.930 20 0 CHADMN Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(O)c2)s1 ZINC001142303351 1132362732 /nfs/dbraw/zinc/36/27/32/1132362732.db2.gz HRHARDASVDVPCL-SECBINFHSA-N 0 1 295.791 3.907 20 0 CHADMN CCC(C)=CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000841443252 1132365829 /nfs/dbraw/zinc/36/58/29/1132365829.db2.gz NDOBIIYWUMVLBS-CMDGGOBGSA-N 0 1 273.336 3.581 20 0 CHADMN CC(C)(C)Oc1ccc(CN2CC3(CCC3)C2)cc1 ZINC001231804968 1132366089 /nfs/dbraw/zinc/36/60/89/1132366089.db2.gz DAFVMQFVYWSRPJ-UHFFFAOYSA-N 0 1 259.393 3.850 20 0 CHADMN O=C1CCN(Cc2ccccc2-c2ccccc2)CC[C@@H]1F ZINC001142331260 1132371354 /nfs/dbraw/zinc/37/13/54/1132371354.db2.gz QCVZZNRCZHYLBA-SFHVURJKSA-N 0 1 297.373 3.857 20 0 CHADMN OC[C@H]1C[C@H](F)CN(Cc2ccccc2-c2ccccc2)C1 ZINC001142331199 1132371663 /nfs/dbraw/zinc/37/16/63/1132371663.db2.gz MMZJEVZKAZPEBQ-YJBOKZPZSA-N 0 1 299.389 3.506 20 0 CHADMN CCCc1ccc(CN(C)Cc2cccnc2C)cc1 ZINC001142367262 1132375539 /nfs/dbraw/zinc/37/55/39/1132375539.db2.gz LGTYBVXFIQPGLJ-UHFFFAOYSA-N 0 1 268.404 3.975 20 0 CHADMN Cc1ccc2ccccc2c1CN1CC2(C1)CCCCO2 ZINC001142372142 1132376343 /nfs/dbraw/zinc/37/63/43/1132376343.db2.gz RBIPKCZLPCNXEW-UHFFFAOYSA-N 0 1 281.399 3.903 20 0 CHADMN CC(C)(C)c1ccc(C(=O)Nc2ccc3nc[nH]c3c2)nc1 ZINC001142428359 1132386456 /nfs/dbraw/zinc/38/64/56/1132386456.db2.gz LZEOKZOSRJJYPQ-UHFFFAOYSA-N 0 1 294.358 3.508 20 0 CHADMN CCCN(Cc1cnc(SC)nc1Cl)CC(C)C ZINC001142435427 1132387476 /nfs/dbraw/zinc/38/74/76/1132387476.db2.gz KKCSFOMSKMIPKL-UHFFFAOYSA-N 0 1 287.860 3.720 20 0 CHADMN CC1(C)CCN(Cc2ccnc(C(F)F)c2)CC1 ZINC001231888608 1132387647 /nfs/dbraw/zinc/38/76/47/1132387647.db2.gz IKKMONUMQMUDBG-UHFFFAOYSA-N 0 1 254.324 3.641 20 0 CHADMN CCCOC1CCC(N2CCn3cccc3[C@@H]2C)CC1 ZINC001173100398 1132390144 /nfs/dbraw/zinc/39/01/44/1132390144.db2.gz JIZBVHJXCUFGBK-FHERZECASA-N 0 1 276.424 3.603 20 0 CHADMN COc1cccc2c(C[N@@H+](Cc3ccco3)C3CC3)c[nH]c21 ZINC001231898879 1132395769 /nfs/dbraw/zinc/39/57/69/1132395769.db2.gz HYWDXFWYYIIJSJ-UHFFFAOYSA-N 0 1 296.370 3.934 20 0 CHADMN COc1cccc2c(CN(Cc3ccco3)C3CC3)c[nH]c21 ZINC001231898879 1132395774 /nfs/dbraw/zinc/39/57/74/1132395774.db2.gz HYWDXFWYYIIJSJ-UHFFFAOYSA-N 0 1 296.370 3.934 20 0 CHADMN C1N(C2CCC3(CCCCC3)CC2)CC12CCCO2 ZINC001173117745 1132398861 /nfs/dbraw/zinc/39/88/61/1132398861.db2.gz MJCREGJMOGVTPH-UHFFFAOYSA-N 0 1 263.425 3.744 20 0 CHADMN Cn1ncc2c1CN(C1CCC3(CCCCC3)CC1)C2 ZINC001173119695 1132399587 /nfs/dbraw/zinc/39/95/87/1132399587.db2.gz VQDSUDWGQMHJQS-UHFFFAOYSA-N 0 1 273.424 3.629 20 0 CHADMN CCCCC1CCN(Cc2cnc(F)c(C)c2)CC1 ZINC001231925614 1132399843 /nfs/dbraw/zinc/39/98/43/1132399843.db2.gz UYMNOKOMJARYGG-UHFFFAOYSA-N 0 1 264.388 3.931 20 0 CHADMN Cc1cc(CN(C)Cc2cccc3cccnc32)cnc1F ZINC001231927654 1132401590 /nfs/dbraw/zinc/40/15/90/1132401590.db2.gz WBCUIZFKCCVSDB-UHFFFAOYSA-N 0 1 295.361 3.709 20 0 CHADMN Cc1ccc(COc2cc(C)nc(C)c2)c(Cl)n1 ZINC000842034360 1132404871 /nfs/dbraw/zinc/40/48/71/1132404871.db2.gz VIYUPZWYQUMOGK-UHFFFAOYSA-N 0 1 262.740 3.634 20 0 CHADMN CN(Cc1cccnc1)Cc1ccc2ccnc(Cl)c2c1 ZINC001231974867 1132405842 /nfs/dbraw/zinc/40/58/42/1132405842.db2.gz SSFHCFNJBZVPHI-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN Cc1cc(F)ncc1CN1CCC(c2cccs2)CC1 ZINC001231985201 1132407351 /nfs/dbraw/zinc/40/73/51/1132407351.db2.gz WZCNJDLJQOTTNE-UHFFFAOYSA-N 0 1 290.407 3.970 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cc(C)nc(C)c1 ZINC001232001131 1132408431 /nfs/dbraw/zinc/40/84/31/1132408431.db2.gz KIHYPVRJFICWLR-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN c1cc2n(c1)CCN(C1CCC(Oc3ccccc3)CC1)C2 ZINC001173204192 1132409371 /nfs/dbraw/zinc/40/93/71/1132409371.db2.gz LNIRLLCAYDVRCD-UHFFFAOYSA-N 0 1 296.414 3.694 20 0 CHADMN CN(Cc1cc2ccncc2[nH]1)Cc1ccc(Cl)cc1 ZINC001232094395 1132422016 /nfs/dbraw/zinc/42/20/16/1132422016.db2.gz RFQUEWUJIZXYOS-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CCCC[C@H](CC(C)C)NCc1nccc(Cl)n1 ZINC001173252984 1132422924 /nfs/dbraw/zinc/42/29/24/1132422924.db2.gz MJSSCKIMOKBFCQ-GFCCVEGCSA-N 0 1 269.820 3.825 20 0 CHADMN Clc1ccc2c(c1)C[N@@H+](Cc1cccc3nc[nH]c31)CC2 ZINC001142672575 1132423110 /nfs/dbraw/zinc/42/31/10/1132423110.db2.gz DQXHTYGMUCZLME-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN Clc1ccc2c(c1)C[N@H+](Cc1cccc3nc[nH]c31)CC2 ZINC001142672575 1132423111 /nfs/dbraw/zinc/42/31/11/1132423111.db2.gz DQXHTYGMUCZLME-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN Clc1ccc2c(c1)CN(Cc1cccc3[nH]cnc31)CC2 ZINC001142672575 1132423112 /nfs/dbraw/zinc/42/31/12/1132423112.db2.gz DQXHTYGMUCZLME-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN COCCC1CCN(Cc2csc(Cl)c2)CC1 ZINC001142769386 1132442188 /nfs/dbraw/zinc/44/21/88/1132442188.db2.gz SXTRUINBKFEWPK-UHFFFAOYSA-N 0 1 273.829 3.650 20 0 CHADMN CN(Cc1cnc(-c2cccnc2)o1)Cc1ccc(F)cc1 ZINC001232132055 1132426393 /nfs/dbraw/zinc/42/63/93/1132426393.db2.gz ZYUKRFNIVKEQPG-UHFFFAOYSA-N 0 1 297.333 3.508 20 0 CHADMN CCOc1ccc([C@H]2CCC[N@H+]2Cc2ccns2)cc1 ZINC001232192195 1132434341 /nfs/dbraw/zinc/43/43/41/1132434341.db2.gz WNWBVKLOUMVXGH-MRXNPFEDSA-N 0 1 288.416 3.879 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2ccns2)cc1 ZINC001232192195 1132434344 /nfs/dbraw/zinc/43/43/44/1132434344.db2.gz WNWBVKLOUMVXGH-MRXNPFEDSA-N 0 1 288.416 3.879 20 0 CHADMN CCC[C@H](C)c1noc(-c2cc3cccnc3[nH]2)n1 ZINC000842492029 1132434910 /nfs/dbraw/zinc/43/49/10/1132434910.db2.gz VIMKAKLMDREEBH-VIFPVBQESA-N 0 1 256.309 3.517 20 0 CHADMN C[C@@H]1CN(Cc2ccnc(C(C)(C)C)c2)CCC1(F)F ZINC001232214491 1132436728 /nfs/dbraw/zinc/43/67/28/1132436728.db2.gz RNYGNQPKOKHPNU-GFCCVEGCSA-N 0 1 282.378 3.856 20 0 CHADMN CCN(Cc1ccncc1)Cc1ccnc(C(C)(C)C)c1 ZINC001232213555 1132436987 /nfs/dbraw/zinc/43/69/87/1132436987.db2.gz ZDMNWLWNJJRECK-UHFFFAOYSA-N 0 1 283.419 3.796 20 0 CHADMN Cc1nc(Br)ccc1CN1CCCCCC1 ZINC001232319361 1132454229 /nfs/dbraw/zinc/45/42/29/1132454229.db2.gz DEBAKJPFFCFTPW-UHFFFAOYSA-N 0 1 283.213 3.529 20 0 CHADMN Fc1ccc(S[C@H]2CCN(Cc3cnsc3)C2)cc1 ZINC001232229455 1132441014 /nfs/dbraw/zinc/44/10/14/1132441014.db2.gz MDVWDYJCMRFGLY-AWEZNQCLSA-N 0 1 294.420 3.649 20 0 CHADMN CC1(C)CCN(Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001232240278 1132441985 /nfs/dbraw/zinc/44/19/85/1132441985.db2.gz XJWLMSGCHJYFSV-UHFFFAOYSA-N 0 1 272.314 3.722 20 0 CHADMN F[C@H]1CCCCN(Cc2nccc3ccccc32)C1 ZINC001232247873 1132442263 /nfs/dbraw/zinc/44/22/63/1132442263.db2.gz DZGFURVCGXMVKK-AWEZNQCLSA-N 0 1 258.340 3.559 20 0 CHADMN C[C@@H]1CCCN(Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001232236993 1132443221 /nfs/dbraw/zinc/44/32/21/1132443221.db2.gz LQGZXXLZWPBMTE-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN CCCCCCO[C@H](C)c1nc([C@@H](N)CC(C)C)no1 ZINC000842585888 1132443842 /nfs/dbraw/zinc/44/38/42/1132443842.db2.gz GVGPVXVSYPNLPC-OLZOCXBDSA-N 0 1 283.416 3.773 20 0 CHADMN Clc1cc(CN2CCC3(CCCOC3)CC2)cs1 ZINC001142775971 1132445837 /nfs/dbraw/zinc/44/58/37/1132445837.db2.gz PXOUIBKKKOPWEX-UHFFFAOYSA-N 0 1 285.840 3.794 20 0 CHADMN CC[C@H]1CCCN1Cc1cnc(Br)cc1C ZINC001232320762 1132453961 /nfs/dbraw/zinc/45/39/61/1132453961.db2.gz ZLJDYXFRVSQGRD-LBPRGKRZSA-N 0 1 283.213 3.527 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1ccc(OC)nc1C ZINC001232335787 1132456333 /nfs/dbraw/zinc/45/63/33/1132456333.db2.gz FLZIUTHLUXJXMW-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN COc1ccc(CN(C)C/C=C/c2ccccc2)c(C)n1 ZINC001232335794 1132456400 /nfs/dbraw/zinc/45/64/00/1132456400.db2.gz FVEVGXSTKJTKNX-JXMROGBWSA-N 0 1 282.387 3.544 20 0 CHADMN CSc1cc(C)c(CN2CC(c3ccccc3)C2)cn1 ZINC001232348445 1132458688 /nfs/dbraw/zinc/45/86/88/1132458688.db2.gz RDACFJUJRRVFKF-UHFFFAOYSA-N 0 1 284.428 3.711 20 0 CHADMN COc1cc(CN2CC[C@H](C)C[C@H]2C)c(OC)cc1Cl ZINC001232374549 1132461794 /nfs/dbraw/zinc/46/17/94/1132461794.db2.gz WMDMIRABGBAKCA-NWDGAFQWSA-N 0 1 297.826 3.978 20 0 CHADMN COc1ccc(OCc2ccccc2)c(CN2CC(C)C2)c1 ZINC001232376956 1132462732 /nfs/dbraw/zinc/46/27/32/1132462732.db2.gz QYUCGPAJNQYKTG-UHFFFAOYSA-N 0 1 297.398 3.726 20 0 CHADMN COc1ccc(OC(C)C)c(CN2CC[C@@](C)(CF)C2)c1 ZINC001232388130 1132463445 /nfs/dbraw/zinc/46/34/45/1132463445.db2.gz ZZJMUPYHYNVUKS-KRWDZBQOSA-N 0 1 295.398 3.664 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C=Cc3ccccc3)cc(F)c12 ZINC001142870133 1132465730 /nfs/dbraw/zinc/46/57/30/1132465730.db2.gz YZADEUNSMJNRCN-BQYQJAHWSA-N 0 1 295.317 3.662 20 0 CHADMN Fc1ccc2nc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)cn2c1 ZINC001232415069 1132467062 /nfs/dbraw/zinc/46/70/62/1132467062.db2.gz SMFJFQRVSXFJMB-CJNGLKHVSA-N 0 1 287.382 3.628 20 0 CHADMN Fc1ccc2nc(CN3CCC[C@H]4CCCC[C@@H]43)cn2c1 ZINC001232415069 1132467066 /nfs/dbraw/zinc/46/70/66/1132467066.db2.gz SMFJFQRVSXFJMB-CJNGLKHVSA-N 0 1 287.382 3.628 20 0 CHADMN CC[N@@H+](Cc1ccncc1)Cc1cc(F)c(C)c(F)c1 ZINC001232420277 1132467141 /nfs/dbraw/zinc/46/71/41/1132467141.db2.gz OUNJIWMAQBUPLX-UHFFFAOYSA-N 0 1 276.330 3.690 20 0 CHADMN CCN(Cc1ccncc1)Cc1cc(F)c(C)c(F)c1 ZINC001232420277 1132467145 /nfs/dbraw/zinc/46/71/45/1132467145.db2.gz OUNJIWMAQBUPLX-UHFFFAOYSA-N 0 1 276.330 3.690 20 0 CHADMN O=C1N[C@@H](N[C@H]2CCCC3(CCCCC3)C2)c2ccccc21 ZINC001173342204 1132468597 /nfs/dbraw/zinc/46/85/97/1132468597.db2.gz WVGDKFZLSUPFOF-WMLDXEAASA-N 0 1 298.430 3.911 20 0 CHADMN Cc1c(F)cc(CN2CCC3(CCC3)C2)cc1F ZINC001232423089 1132469355 /nfs/dbraw/zinc/46/93/55/1132469355.db2.gz IKILIYLYIRMIAN-UHFFFAOYSA-N 0 1 251.320 3.649 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)Cc1n[nH]c2c1CCC2 ZINC001232430516 1132469545 /nfs/dbraw/zinc/46/95/45/1132469545.db2.gz ZOUPDMSHYXEZEI-LLVKDONJSA-N 0 1 289.810 3.745 20 0 CHADMN c1ncc2c(n1)CCN([C@H]1CCCC3(CCCCC3)C1)C2 ZINC001173344244 1132470238 /nfs/dbraw/zinc/47/02/38/1132470238.db2.gz SKOMUBJVCZXOLU-INIZCTEOSA-N 0 1 285.435 3.728 20 0 CHADMN FC(F)(F)c1ccc(CN2CC[C@H](c3ccccn3)C2)o1 ZINC001232443645 1132471971 /nfs/dbraw/zinc/47/19/71/1132471971.db2.gz GGALIUTUHMITAY-NSHDSACASA-N 0 1 296.292 3.683 20 0 CHADMN Cc1ncc(CN2CCC[C@@H]2c2cccc(Cl)c2)[nH]1 ZINC001232465187 1132473422 /nfs/dbraw/zinc/47/34/22/1132473422.db2.gz XXIHZDBCPUEHSE-OAHLLOKOSA-N 0 1 275.783 3.709 20 0 CHADMN Cc1ncc(CN2CCC[C@H]2c2ccccc2Cl)[nH]1 ZINC001232461899 1132473683 /nfs/dbraw/zinc/47/36/83/1132473683.db2.gz GXRJDFFQKCWDCA-HNNXBMFYSA-N 0 1 275.783 3.709 20 0 CHADMN Cc1cc([C@H](C)NC2(c3cccc(F)c3)CCC2)n(C)n1 ZINC000842900131 1132474303 /nfs/dbraw/zinc/47/43/03/1132474303.db2.gz FOEUPTPOHMHLHY-ZDUSSCGKSA-N 0 1 287.382 3.598 20 0 CHADMN Fc1ccnc(CN2CCC3(CCc4ccccc43)CC2)c1 ZINC001232493472 1132479479 /nfs/dbraw/zinc/47/94/79/1132479479.db2.gz WJHPYBCOJMFRBK-UHFFFAOYSA-N 0 1 296.389 3.701 20 0 CHADMN Fc1ccnc(CN2CCC3(C=Cc4ccccc43)CC2)c1 ZINC001232492698 1132479650 /nfs/dbraw/zinc/47/96/50/1132479650.db2.gz KAWGTLXCFLTAIN-UHFFFAOYSA-N 0 1 294.373 3.781 20 0 CHADMN Cc1c(Br)cncc1CN1CCCC[C@@H](C)C1 ZINC001232530008 1132484012 /nfs/dbraw/zinc/48/40/12/1132484012.db2.gz XPYITRPRBGVBBZ-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN Cc1ccc(C2(O)CCN(Cc3ccccc3F)CC2)cc1 ZINC001203346558 1132485503 /nfs/dbraw/zinc/48/55/03/1132485503.db2.gz YGOSFLCDLGUWBY-UHFFFAOYSA-N 0 1 299.389 3.618 20 0 CHADMN CCN(Cc1cccs1)Cc1cccc(CF)n1 ZINC001232537237 1132485571 /nfs/dbraw/zinc/48/55/71/1132485571.db2.gz BSYQKICPEOJXKM-UHFFFAOYSA-N 0 1 264.369 3.635 20 0 CHADMN COc1cc(C)c(C[N@@H+](C)Cc2ccc(C)nc2)c(C)c1 ZINC001142950991 1132486774 /nfs/dbraw/zinc/48/67/74/1132486774.db2.gz UVXIYVNHIMRRRG-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN COc1cc(C)c(CN(C)Cc2ccc(C)nc2)c(C)c1 ZINC001142950991 1132486779 /nfs/dbraw/zinc/48/67/79/1132486779.db2.gz UVXIYVNHIMRRRG-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1cc2ccoc2cn1 ZINC001232556821 1132487142 /nfs/dbraw/zinc/48/71/42/1132487142.db2.gz MVPAPBOHDRYECR-CYBMUJFWSA-N 0 1 278.355 3.775 20 0 CHADMN COC(=O)c1ccc(CN(C)CC(C)(C)C)c(Cl)c1 ZINC001232578063 1132489178 /nfs/dbraw/zinc/48/91/78/1132489178.db2.gz LMKYCHMIVKTRKG-UHFFFAOYSA-N 0 1 283.799 3.605 20 0 CHADMN COc1cc(CN2Cc3ccccc3C(C)(C)C2)ccc1O ZINC001204118631 1132489456 /nfs/dbraw/zinc/48/94/56/1132489456.db2.gz VIPOWTGMVBMHJC-UHFFFAOYSA-N 0 1 297.398 3.694 20 0 CHADMN CCOc1ccnc(CN2CCC[C@@H]2c2cccs2)c1 ZINC001232582470 1132489482 /nfs/dbraw/zinc/48/94/82/1132489482.db2.gz DRCNFTBLAIRNOK-OAHLLOKOSA-N 0 1 288.416 3.879 20 0 CHADMN COC(=O)c1ccc(CN2CC3CCC2CC3)c(Cl)c1 ZINC001232579125 1132489953 /nfs/dbraw/zinc/48/99/53/1132489953.db2.gz TWRZVEMRQFQZRU-UHFFFAOYSA-N 0 1 293.794 3.501 20 0 CHADMN CCOc1ccnc(CN2CCC[C@@H]2c2ccccc2)c1 ZINC001232583648 1132490061 /nfs/dbraw/zinc/49/00/61/1132490061.db2.gz MYNJXDCJXWWTTL-GOSISDBHSA-N 0 1 282.387 3.817 20 0 CHADMN CCOc1ccnc(CN(CC)Cc2ccc(C)cc2)c1 ZINC001232589022 1132490267 /nfs/dbraw/zinc/49/02/67/1132490267.db2.gz ZWUPFASXZNTJLN-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN CCOC(=O)c1ccc(CN2CCC(C)CC2)c(Cl)c1 ZINC001232591991 1132492188 /nfs/dbraw/zinc/49/21/88/1132492188.db2.gz FGHBSPULRROJMU-UHFFFAOYSA-N 0 1 295.810 3.749 20 0 CHADMN Clc1cc(-n2cccn2)ccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001232596159 1132492291 /nfs/dbraw/zinc/49/22/91/1132492291.db2.gz LYAFBNSBZNUCPO-WBMJQRKESA-N 0 1 287.794 3.510 20 0 CHADMN Cn1nc(-c2ccccc2)cc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001143013157 1132493596 /nfs/dbraw/zinc/49/35/96/1132493596.db2.gz VRNFNURESJVWTE-LPHOPBHVSA-N 0 1 295.430 3.852 20 0 CHADMN Fc1nccc(Cl)c1CN1CCC[C@@H]2CCC[C@H]21 ZINC001232616954 1132495426 /nfs/dbraw/zinc/49/54/26/1132495426.db2.gz AHGZWHAZWCVIOA-GXFFZTMASA-N 0 1 268.763 3.639 20 0 CHADMN C[N@H+](Cc1ccc(Cl)c([O-])c1Cl)CC1CC1 ZINC001232623530 1132497093 /nfs/dbraw/zinc/49/70/93/1132497093.db2.gz CVOMXHPUWCFNIV-UHFFFAOYSA-N 0 1 260.164 3.541 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2ccc(Oc3ccccc3)o2)n1 ZINC000843152120 1132497869 /nfs/dbraw/zinc/49/78/69/1132497869.db2.gz CQUSSIVIIFUQGH-CQSZACIVSA-N 0 1 299.330 3.778 20 0 CHADMN Cc1ccc(C)c(SCc2nc([C@H](N)C(C)C)no2)c1 ZINC000843146315 1132498755 /nfs/dbraw/zinc/49/87/55/1132498755.db2.gz GCPLFFMTYRIJSP-CQSZACIVSA-N 0 1 291.420 3.635 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2ccc(SC(F)F)cc2)n1 ZINC000843151358 1132498854 /nfs/dbraw/zinc/49/88/54/1132498854.db2.gz HTPWXQZUPHMRLB-SNVBAGLBSA-N 0 1 299.346 3.707 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2csc3c2CC[C@@H](C)C3)n1 ZINC000843146383 1132499135 /nfs/dbraw/zinc/49/91/35/1132499135.db2.gz IYQPFVICCKQOQZ-NOZJJQNGSA-N 0 1 291.420 3.579 20 0 CHADMN CCCN[C@H](C)c1nc(-c2cccc(OC(C)C)c2)no1 ZINC000843181697 1132500867 /nfs/dbraw/zinc/50/08/67/1132500867.db2.gz GKDGAFDEKMYRPN-GFCCVEGCSA-N 0 1 289.379 3.584 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2cccc(CSC)c2)no1 ZINC000843183849 1132500989 /nfs/dbraw/zinc/50/09/89/1132500989.db2.gz HOSSTFIQURFJQD-NSHDSACASA-N 0 1 291.420 3.660 20 0 CHADMN Brc1coc(CN2CCC[C@H]3CCC[C@H]32)c1 ZINC001232857662 1132531650 /nfs/dbraw/zinc/53/16/50/1132531650.db2.gz USNNJKQEFDNQOJ-ZWNOBZJWSA-N 0 1 284.197 3.807 20 0 CHADMN Brc1ccoc1CN1CC[C@H]2CCC[C@@H]2C1 ZINC001143119345 1132503942 /nfs/dbraw/zinc/50/39/42/1132503942.db2.gz MFDWZTIGPLJWPC-GHMZBOCLSA-N 0 1 284.197 3.664 20 0 CHADMN Cc1coc(CNC2CCC3(CCc4ccccc43)CC2)n1 ZINC001173684780 1132504818 /nfs/dbraw/zinc/50/48/18/1132504818.db2.gz SWWUXNWRYYSENS-UHFFFAOYSA-N 0 1 296.414 3.899 20 0 CHADMN C[C@H]1CN(Cc2ccc(Br)[nH]2)CCC[C@@H]1C ZINC001232684170 1132505257 /nfs/dbraw/zinc/50/52/57/1132505257.db2.gz LZGNWGFOIVQNLF-QWRGUYRKSA-N 0 1 285.229 3.645 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(-c2cc(C)oc2C)no1 ZINC000843225038 1132506468 /nfs/dbraw/zinc/50/64/68/1132506468.db2.gz WGPVVCFWUJYHPN-GFCCVEGCSA-N 0 1 277.368 3.643 20 0 CHADMN Brc1ccc(CN2CCC[C@H]3CCCC[C@@H]32)[nH]1 ZINC001232687207 1132506401 /nfs/dbraw/zinc/50/64/01/1132506401.db2.gz DVEOPKHHKPGMSR-YPMHNXCESA-N 0 1 297.240 3.932 20 0 CHADMN CCCN[C@H](C)c1nc(-c2cc3cc(C)ccc3o2)no1 ZINC000843225937 1132506574 /nfs/dbraw/zinc/50/65/74/1132506574.db2.gz PMGWZJJDJBOYDM-LLVKDONJSA-N 0 1 285.347 3.852 20 0 CHADMN COc1cc(C)cc(OC)c1CN1CC(c2ccccc2)C1 ZINC001143144167 1132508401 /nfs/dbraw/zinc/50/84/01/1132508401.db2.gz GUXGPAVAWUDXCX-UHFFFAOYSA-N 0 1 297.398 3.612 20 0 CHADMN COc1cc(C)cc(CN(C)Cc2ccc(Cl)nc2)c1 ZINC001143156134 1132508696 /nfs/dbraw/zinc/50/86/96/1132508696.db2.gz FFQPLHREUQIOCC-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN CCN(Cc1ccccn1)Cc1cccc2ncsc21 ZINC001232735638 1132512306 /nfs/dbraw/zinc/51/23/06/1132512306.db2.gz PHICUSYTUUBILZ-UHFFFAOYSA-N 0 1 283.400 3.713 20 0 CHADMN Cc1ccc(CN(Cc2cccc(C)c2C)C2CC2)c(N)n1 ZINC001143207050 1132517558 /nfs/dbraw/zinc/51/75/58/1132517558.db2.gz NQMTWRGTYOZLDE-UHFFFAOYSA-N 0 1 295.430 3.754 20 0 CHADMN Cc1cc(CN2CC[C@@]3(CC3(F)F)C2)c(F)cc1F ZINC001232783462 1132519671 /nfs/dbraw/zinc/51/96/71/1132519671.db2.gz YFONCYAWEGAAQY-CYBMUJFWSA-N 0 1 273.273 3.504 20 0 CHADMN OCc1cc(Nc2ccccc2-c2ccccc2)ccn1 ZINC001173817290 1132521631 /nfs/dbraw/zinc/52/16/31/1132521631.db2.gz OWOIRCGCGJMZCZ-UHFFFAOYSA-N 0 1 276.339 3.985 20 0 CHADMN COc1cc(O)cc(CN2Cc3ccccc3[C@@H](C)C2)c1 ZINC001232800337 1132523816 /nfs/dbraw/zinc/52/38/16/1132523816.db2.gz DAHBWSZVFABCBC-ZDUSSCGKSA-N 0 1 283.371 3.520 20 0 CHADMN CCCn1cnc(CN(Cc2ccccc2)C(C)C)c1 ZINC001232793516 1132524654 /nfs/dbraw/zinc/52/46/54/1132524654.db2.gz AYHQHQMXSMRINA-UHFFFAOYSA-N 0 1 271.408 3.704 20 0 CHADMN CCOc1ccc(CN2CC[C@H]3CCC[C@H]3C2)c(F)c1F ZINC001143270096 1132527136 /nfs/dbraw/zinc/52/71/36/1132527136.db2.gz WDBYMZPWZDUXFD-OLZOCXBDSA-N 0 1 295.373 3.986 20 0 CHADMN Fc1cc(CN2CC3CC(C3)C2)cc(OC(F)(F)F)c1 ZINC001143262736 1132527305 /nfs/dbraw/zinc/52/73/05/1132527305.db2.gz PBXQGXYCRBLDQB-UHFFFAOYSA-N 0 1 289.272 3.566 20 0 CHADMN CC(=CC1CCC(C)CC1)C(=O)Nc1nc(C(C)C)n[nH]1 ZINC001143273767 1132528348 /nfs/dbraw/zinc/52/83/48/1132528348.db2.gz MCLGSVTZMAICPU-FMIVXFBMSA-N 0 1 290.411 3.639 20 0 CHADMN C/C(=C\C1CCC(C)CC1)C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001143273767 1132528354 /nfs/dbraw/zinc/52/83/54/1132528354.db2.gz MCLGSVTZMAICPU-FMIVXFBMSA-N 0 1 290.411 3.639 20 0 CHADMN CCOc1ccc(CN2CC[C@@H](C)C[C@@H]2C)c(F)c1F ZINC001143276201 1132528547 /nfs/dbraw/zinc/52/85/47/1132528547.db2.gz IUPIUWYFCGVATM-NEPJUHHUSA-N 0 1 283.362 3.984 20 0 CHADMN Cc1ccc(Nc2ccc(CCN3CCOCC3)cc2)cc1 ZINC001173801352 1132534602 /nfs/dbraw/zinc/53/46/02/1132534602.db2.gz ALWKYBRGHBAIEN-UHFFFAOYSA-N 0 1 296.414 3.613 20 0 CHADMN COc1c(F)ccc(CN2[C@H](C)CCC[C@H]2C)c1F ZINC001143303879 1132535454 /nfs/dbraw/zinc/53/54/54/1132535454.db2.gz BSJFRMBHTMOGRY-GHMZBOCLSA-N 0 1 269.335 3.736 20 0 CHADMN COc1c(F)ccc(CN2CCC[C@H](C)[C@H]2C)c1F ZINC001143318783 1132535544 /nfs/dbraw/zinc/53/55/44/1132535544.db2.gz ZNAGVKJXOHKMIZ-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN COc1cc(CN2CCC(F)CC2)ccc1C(F)(F)F ZINC001143342586 1132536090 /nfs/dbraw/zinc/53/60/90/1132536090.db2.gz PJTJKDGQLXLPFT-UHFFFAOYSA-N 0 1 291.288 3.648 20 0 CHADMN COc1ccc(Nc2c(C)nc3ccc(F)cn32)cc1 ZINC001173805684 1132539691 /nfs/dbraw/zinc/53/96/91/1132539691.db2.gz URFLOZWBAPNEOA-UHFFFAOYSA-N 0 1 271.295 3.534 20 0 CHADMN C[C@]1(F)CCN(Cc2ccccc2-n2cccc2)C[C@@H]1F ZINC001232909170 1132541446 /nfs/dbraw/zinc/54/14/46/1132541446.db2.gz KGHJNRKTLJUJQM-IRXDYDNUSA-N 0 1 290.357 3.749 20 0 CHADMN CC(C)c1ccc(N(C)C(=O)[C@H]2CCN2C(C)(C)C)cc1 ZINC001149786283 1132547693 /nfs/dbraw/zinc/54/76/93/1132547693.db2.gz WWWCLNFSUHGAJV-MRXNPFEDSA-N 0 1 288.435 3.646 20 0 CHADMN c1nc2ccc(CN3CCC[C@@H]3c3ccccn3)cc2o1 ZINC001232942424 1132548696 /nfs/dbraw/zinc/54/86/96/1132548696.db2.gz XWNJQSATOYZBRS-MRXNPFEDSA-N 0 1 279.343 3.560 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C)cc2[nH]1 ZINC001150106311 1132551276 /nfs/dbraw/zinc/55/12/76/1132551276.db2.gz KKTDLURRCQLVAK-ZWNOBZJWSA-N 0 1 271.364 3.636 20 0 CHADMN O=c1[nH]c2ccc(Nc3ccc(Cl)c(O)c3F)cc2o1 ZINC001214799378 1132552752 /nfs/dbraw/zinc/55/27/52/1132552752.db2.gz URXXCPGADPQWQC-UHFFFAOYSA-N 0 1 294.669 3.775 20 0 CHADMN FC1(F)CC2(CN(Cc3ccc(C4CC4)cc3)C2)C1 ZINC001232984719 1132554848 /nfs/dbraw/zinc/55/48/48/1132554848.db2.gz QWUVEFOXWBAVMY-UHFFFAOYSA-N 0 1 263.331 3.795 20 0 CHADMN c1cnc2c(c1)CN(Cc1ccc(C3CC3)cc1)CC2 ZINC001232983774 1132555455 /nfs/dbraw/zinc/55/54/55/1132555455.db2.gz SIAIPNMYDFZJOC-UHFFFAOYSA-N 0 1 264.372 3.517 20 0 CHADMN CN(Cc1ccc(C2CC2)cc1)Cc1cccc2c1OCO2 ZINC001232986273 1132559174 /nfs/dbraw/zinc/55/91/74/1132559174.db2.gz HWQXSNQNTJHYES-UHFFFAOYSA-N 0 1 295.382 3.925 20 0 CHADMN CC[C@@H]1CCN(Cc2c(F)cc(Cl)cc2OC)C1 ZINC001233001359 1132559691 /nfs/dbraw/zinc/55/96/91/1132559691.db2.gz CKOZYRYJPWGXPF-SNVBAGLBSA-N 0 1 271.763 3.720 20 0 CHADMN C[C@H]1CCCN(Cc2cc(O)cc(Br)c2)CC1 ZINC001232994835 1132559937 /nfs/dbraw/zinc/55/99/37/1132559937.db2.gz UXKATIDIBQCXLB-NSHDSACASA-N 0 1 298.224 3.777 20 0 CHADMN Fc1ccc2nc(Nc3c(F)cccc3F)oc2c1 ZINC001173859005 1132560578 /nfs/dbraw/zinc/56/05/78/1132560578.db2.gz XUZSUCOIXBCVOB-UHFFFAOYSA-N 0 1 264.206 3.989 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCC2(CCC2)CC1 ZINC001233019862 1132565309 /nfs/dbraw/zinc/56/53/09/1132565309.db2.gz UUCFFPUXUPXZRF-UHFFFAOYSA-N 0 1 293.432 3.691 20 0 CHADMN FC1(F)CC[C@@H]2CN(Cc3ccsc3Cl)C[C@@H]21 ZINC001233053640 1132566893 /nfs/dbraw/zinc/56/68/93/1132566893.db2.gz OZVVYCWCFVQKGH-SCZZXKLOSA-N 0 1 277.767 3.879 20 0 CHADMN Oc1cccc(CN2CCC3(CC[C@@H](F)C3)CC2)c1F ZINC001233056707 1132567620 /nfs/dbraw/zinc/56/76/20/1132567620.db2.gz HHFAMRTZPAGZCG-CYBMUJFWSA-N 0 1 281.346 3.636 20 0 CHADMN [O-]c1cccc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c1F ZINC001233056707 1132567625 /nfs/dbraw/zinc/56/76/25/1132567625.db2.gz HHFAMRTZPAGZCG-CYBMUJFWSA-N 0 1 281.346 3.636 20 0 CHADMN Oc1cccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1F ZINC001233057420 1132569314 /nfs/dbraw/zinc/56/93/14/1132569314.db2.gz LWBANIABVOKBAV-ZDUSSCGKSA-N 0 1 289.325 3.660 20 0 CHADMN Fc1ccc2c(c1)n[nH]c2CN(Cc1ccccc1)C1CC1 ZINC001233127066 1132573192 /nfs/dbraw/zinc/57/31/92/1132573192.db2.gz RDSLYLGZJKUSPO-UHFFFAOYSA-N 0 1 295.361 3.867 20 0 CHADMN Cc1cc(CN2Cc3ccccc3[C@@H](C)C2)cnc1C ZINC001233155991 1132574859 /nfs/dbraw/zinc/57/48/59/1132574859.db2.gz DXTPVNHPYCSIGV-AWEZNQCLSA-N 0 1 266.388 3.818 20 0 CHADMN Cc1cc(CN2CCC(Oc3ccccc3)CC2)cnc1C ZINC001233157048 1132574977 /nfs/dbraw/zinc/57/49/77/1132574977.db2.gz YYYAWMIPCKRSNA-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CCCC[C@@H](C)C1 ZINC001233169094 1132576627 /nfs/dbraw/zinc/57/66/27/1132576627.db2.gz JYIFBWLHAIWIHL-GFCCVEGCSA-N 0 1 282.815 3.756 20 0 CHADMN Cc1nc2ccc(F)cn2c1NC=Cc1ccccc1 ZINC001173872696 1132576666 /nfs/dbraw/zinc/57/66/66/1132576666.db2.gz VHOXMAOHMSVWKC-MDZDMXLPSA-N 0 1 267.307 3.865 20 0 CHADMN Fc1c(Cl)ccc(CN2C[C@H]3CCC[C@@H]3C2)c1F ZINC001233206968 1132581221 /nfs/dbraw/zinc/58/12/21/1132581221.db2.gz FYXHUWSHNLXPJS-NXEZZACHSA-N 0 1 271.738 3.850 20 0 CHADMN Fc1ccc(Oc2cccc(CN3CC=CC3)c2)cc1 ZINC001233206772 1132581301 /nfs/dbraw/zinc/58/13/01/1132581301.db2.gz BTOGTQADNMKPCH-UHFFFAOYSA-N 0 1 269.319 3.990 20 0 CHADMN CC=CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001152400823 1132581837 /nfs/dbraw/zinc/58/18/37/1132581837.db2.gz IEDHKWFCUYPGCK-CRTCLFFXSA-N 0 1 297.402 3.877 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1ccc(C)c(O)c1 ZINC001233234552 1132586021 /nfs/dbraw/zinc/58/60/21/1132586021.db2.gz XWWHADOAYLVEKD-AWEZNQCLSA-N 0 1 285.387 3.902 20 0 CHADMN Cc1cc(C)cc(Nc2ccccc2N2CCN(C)CC2)c1 ZINC001173831065 1132586922 /nfs/dbraw/zinc/58/69/22/1132586922.db2.gz QWSAXUQXAUNAAZ-UHFFFAOYSA-N 0 1 295.430 3.799 20 0 CHADMN Fc1ccccc1[C@@H]1CCCN1Cc1cnn2ccccc12 ZINC001233236810 1132587088 /nfs/dbraw/zinc/58/70/88/1132587088.db2.gz CETBNRLOGBNKPV-SFHVURJKSA-N 0 1 295.361 3.811 20 0 CHADMN Cc1ccccc1C[N@@H+](C)Cc1ccc([S-])cc1 ZINC001233260445 1132590029 /nfs/dbraw/zinc/59/00/29/1132590029.db2.gz DVKKMVNMBRBLRI-UHFFFAOYSA-N 0 1 257.402 3.916 20 0 CHADMN [S-]c1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC001233261090 1132590096 /nfs/dbraw/zinc/59/00/96/1132590096.db2.gz AYVXPFMUNHXKRD-MRXNPFEDSA-N 0 1 270.401 3.707 20 0 CHADMN COc1c(O)cccc1CN1Cc2ccccc2[C@H](C)C1 ZINC001233254148 1132590807 /nfs/dbraw/zinc/59/08/07/1132590807.db2.gz JWDNJFMYKHVMEG-CYBMUJFWSA-N 0 1 283.371 3.520 20 0 CHADMN Cc1cccc2c1CC[N@@H+](Cc1ccc([S-])cc1)C2 ZINC001233258688 1132591569 /nfs/dbraw/zinc/59/15/69/1132591569.db2.gz OWMSCROYGNDDFC-UHFFFAOYSA-N 0 1 269.413 3.842 20 0 CHADMN COc1ccc2c(c1)CC[N@H+](Cc1ccc([S-])cc1)C2 ZINC001233258624 1132591805 /nfs/dbraw/zinc/59/18/05/1132591805.db2.gz MJTKAGDYFCBTJT-UHFFFAOYSA-N 0 1 285.412 3.542 20 0 CHADMN Cc1cnsc1CN1CCC[C@@H]1c1cccs1 ZINC001233320870 1132598597 /nfs/dbraw/zinc/59/85/97/1132598597.db2.gz QQLJGXKHKMCNSL-LLVKDONJSA-N 0 1 264.419 3.850 20 0 CHADMN CC1(C)OCCC12CCN(Cc1ccc(Cl)o1)CC2 ZINC001233317179 1132599235 /nfs/dbraw/zinc/59/92/35/1132599235.db2.gz BBSVRIJATQYFHD-UHFFFAOYSA-N 0 1 283.799 3.714 20 0 CHADMN FC(F)(F)[C@H]1CC[N@@H+](Cc2cc3cccnc3s2)C1 ZINC001233348771 1132607810 /nfs/dbraw/zinc/60/78/10/1132607810.db2.gz OROCSUCXWPNDIZ-JTQLQIEISA-N 0 1 286.322 3.681 20 0 CHADMN FC(F)(F)[C@H]1CCN(Cc2cc3cccnc3s2)C1 ZINC001233348771 1132607812 /nfs/dbraw/zinc/60/78/12/1132607812.db2.gz OROCSUCXWPNDIZ-JTQLQIEISA-N 0 1 286.322 3.681 20 0 CHADMN Cc1cccc(C[N@@H+](C)Cc2cnc3cccc(Cl)n23)c1 ZINC001233355820 1132610169 /nfs/dbraw/zinc/61/01/69/1132610169.db2.gz NKZPMDRITMBYDA-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN Cc1cccc(CN(C)Cc2cnc3cccc(Cl)n23)c1 ZINC001233355820 1132610172 /nfs/dbraw/zinc/61/01/72/1132610172.db2.gz NKZPMDRITMBYDA-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN CCCCN(Cc1cnc(C)o1)Cc1ccccc1 ZINC001233366675 1132611952 /nfs/dbraw/zinc/61/19/52/1132611952.db2.gz OQFZDBNRKNLUSU-UHFFFAOYSA-N 0 1 258.365 3.785 20 0 CHADMN CC1(C)CN(Cc2ccc(N)cc2Cl)CCC1(F)F ZINC001233374101 1132612475 /nfs/dbraw/zinc/61/24/75/1132612475.db2.gz PNHPNZQFSDGSPJ-UHFFFAOYSA-N 0 1 288.769 3.789 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1ccc(N)cc1Cl ZINC001233376956 1132612525 /nfs/dbraw/zinc/61/25/25/1132612525.db2.gz IWPRDDOZNSATJV-LBPRGKRZSA-N 0 1 286.806 3.869 20 0 CHADMN Nc1cc(F)c(F)cc1CN1CCCC2(CCCC2)C1 ZINC001233379246 1132613536 /nfs/dbraw/zinc/61/35/36/1132613536.db2.gz YHNYFZLUMTVZJJ-UHFFFAOYSA-N 0 1 280.362 3.703 20 0 CHADMN CCCN(Cc1c(F)ccc(O)c1F)[C@H](C)CC ZINC001233393129 1132617254 /nfs/dbraw/zinc/61/72/54/1132617254.db2.gz DAVDMWZYVLMDJQ-SNVBAGLBSA-N 0 1 257.324 3.681 20 0 CHADMN CC[C@H]1CCCCN1Cc1c[nH]c(Br)c1 ZINC001233438009 1132620246 /nfs/dbraw/zinc/62/02/46/1132620246.db2.gz XNGIUIFNWJYKIV-NSHDSACASA-N 0 1 271.202 3.542 20 0 CHADMN CN(Cc1c[nH]c(Br)c1)Cc1ccc(F)cc1 ZINC001233434172 1132622420 /nfs/dbraw/zinc/62/24/20/1132622420.db2.gz DUEIUIGPYPUMEM-UHFFFAOYSA-N 0 1 297.171 3.548 20 0 CHADMN CN(Cc1c[nH]c(Br)c1)Cc1cccc(F)c1 ZINC001233434126 1132623163 /nfs/dbraw/zinc/62/31/63/1132623163.db2.gz CAAACSJQDQZLIF-UHFFFAOYSA-N 0 1 297.171 3.548 20 0 CHADMN COc1cccc(-c2cccc(Nc3ccncc3)c2)c1 ZINC001173883843 1132625378 /nfs/dbraw/zinc/62/53/78/1132625378.db2.gz WWQVPIZQEVFKFL-UHFFFAOYSA-N 0 1 276.339 3.923 20 0 CHADMN Clc1cncc(CN2CC[C@@H](C3CCCCC3)C2)n1 ZINC001233449994 1132626107 /nfs/dbraw/zinc/62/61/07/1132626107.db2.gz ARNFJIWSDHQOPN-CYBMUJFWSA-N 0 1 279.815 3.532 20 0 CHADMN Cc1cnc(NCc2cnccc2C(F)(F)F)cc1C ZINC001154903607 1132631487 /nfs/dbraw/zinc/63/14/87/1132631487.db2.gz YWZKUUUQADBMQB-UHFFFAOYSA-N 0 1 281.281 3.724 20 0 CHADMN Clc1cccc2nc(CN3CC[C@@H]4CCC[C@@H]4C3)cn21 ZINC001233563815 1132638762 /nfs/dbraw/zinc/63/87/62/1132638762.db2.gz ROXCEGYKJYSOBH-QWHCGFSZSA-N 0 1 289.810 3.610 20 0 CHADMN CCC[C@H]1CCCC[C@@H]1Oc1n[nH]c(=O)cc1Cl ZINC001233590154 1132643418 /nfs/dbraw/zinc/64/34/18/1132643418.db2.gz OFAZLHFGCKNQTD-ONGXEEELSA-N 0 1 270.760 3.573 20 0 CHADMN CCCC[C@H](CCC)Oc1n[nH]c(=O)cc1Cl ZINC001233589055 1132643887 /nfs/dbraw/zinc/64/38/87/1132643887.db2.gz IFRJPAITPWPEFR-VIFPVBQESA-N 0 1 258.749 3.573 20 0 CHADMN Cc1cnc(NCc2cn(C)c3ccccc23)cc1C ZINC001155287424 1132652350 /nfs/dbraw/zinc/65/23/50/1132652350.db2.gz VNTDMSORBZSREG-UHFFFAOYSA-N 0 1 265.360 3.802 20 0 CHADMN CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(Cl)c(O)c2)C1 ZINC001155606802 1132662851 /nfs/dbraw/zinc/66/28/51/1132662851.db2.gz MXWRYWZGVKVVRK-LBPRGKRZSA-N 0 1 295.810 3.944 20 0 CHADMN CC(=O)Nc1ccccc1Nc1cc(C)nc2ccccc21 ZINC001173991191 1132666874 /nfs/dbraw/zinc/66/68/74/1132666874.db2.gz CYFQWVQHDCZUOX-UHFFFAOYSA-N 0 1 291.354 3.667 20 0 CHADMN Clc1ccc(N=C2CCCC2)c(Br)n1 ZINC001173996466 1132668310 /nfs/dbraw/zinc/66/83/10/1132668310.db2.gz FQMGEQYUEOWZSG-UHFFFAOYSA-N 0 1 273.561 3.977 20 0 CHADMN Cc1nc(NC2=CCCC2)ccc1Br ZINC001173997610 1132670287 /nfs/dbraw/zinc/67/02/87/1132670287.db2.gz QSXGOIXNJSEXQT-UHFFFAOYSA-N 0 1 253.143 3.632 20 0 CHADMN CC(C)(C)c1cnn2cc(N=C3CCCC3)cnc12 ZINC001174000077 1132671201 /nfs/dbraw/zinc/67/12/01/1132671201.db2.gz XKIASQQVSJFWBL-UHFFFAOYSA-N 0 1 256.353 3.507 20 0 CHADMN CC(C)N1CCC[C@H](Oc2c(F)cc(F)cc2Cl)C1 ZINC001233832335 1132686666 /nfs/dbraw/zinc/68/66/66/1132686666.db2.gz FSISSOYLCJGNCL-NSHDSACASA-N 0 1 289.753 3.870 20 0 CHADMN CCc1nc[nH]c1C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 ZINC001156191440 1132687936 /nfs/dbraw/zinc/68/79/36/1132687936.db2.gz RHVAXXOLVCCCJO-CYBMUJFWSA-N 0 1 297.402 3.762 20 0 CHADMN Cc1ccnc(NCCCOc2ccc(Cl)cc2)c1 ZINC001156198543 1132687991 /nfs/dbraw/zinc/68/79/91/1132687991.db2.gz UZKLDQHNSWNQPC-UHFFFAOYSA-N 0 1 276.767 3.924 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(C)c(F)c1 ZINC001174020166 1132693335 /nfs/dbraw/zinc/69/33/35/1132693335.db2.gz YKALCWAIKWKHFQ-UHFFFAOYSA-N 0 1 273.286 3.973 20 0 CHADMN CCc1ccc(C)nc1N[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC001206661334 1132709686 /nfs/dbraw/zinc/70/96/86/1132709686.db2.gz UBJBZVCTVOMMIL-HUUCEWRRSA-N 0 1 276.424 3.956 20 0 CHADMN CC(C)(C)c1nc(Nc2cncc3ccccc32)no1 ZINC001174098084 1132715879 /nfs/dbraw/zinc/71/58/79/1132715879.db2.gz ALKQXLBYQWHMCZ-UHFFFAOYSA-N 0 1 268.320 3.659 20 0 CHADMN CCC[C@H](C(=O)N1CCCC[C@@H]1c1cc(C)[nH]n1)C(C)C ZINC001157198388 1132724432 /nfs/dbraw/zinc/72/44/32/1132724432.db2.gz AKHXILIWGOTKBC-GOEBONIOSA-N 0 1 291.439 3.844 20 0 CHADMN CC(C)Oc1cccc(Nc2ccnn2-c2ccncc2)c1 ZINC001174112161 1132726873 /nfs/dbraw/zinc/72/68/73/1132726873.db2.gz AHHQPGJDCLCAFX-UHFFFAOYSA-N 0 1 294.358 3.798 20 0 CHADMN Cc1cnc(N2CCc3c([nH]nc3C(F)(F)F)C2)cc1C ZINC001157347834 1132727575 /nfs/dbraw/zinc/72/75/75/1132727575.db2.gz PXUCWAOMLOUYDT-ZDUSSCGKSA-N 0 1 296.296 3.559 20 0 CHADMN COc1ccnc(N(C)[C@@H](C)c2ccccc2Cl)c1 ZINC001157365874 1132728592 /nfs/dbraw/zinc/72/85/92/1132728592.db2.gz AQEBBSZSZWJDFJ-NSHDSACASA-N 0 1 276.767 3.941 20 0 CHADMN Cc1cc(Cl)c(C(=O)Nc2ccc3cncn3c2)cc1C ZINC001157396592 1132731129 /nfs/dbraw/zinc/73/11/29/1132731129.db2.gz QLRXHAYFBKCWHS-UHFFFAOYSA-N 0 1 299.761 3.857 20 0 CHADMN C[C@@H](CCCC(C)(C)O)Nc1ccc2c(n1)CCCC2 ZINC001157886910 1132752633 /nfs/dbraw/zinc/75/26/33/1132752633.db2.gz FUHFUXDOKRGIDE-ZDUSSCGKSA-N 0 1 276.424 3.702 20 0 CHADMN CC(C)Oc1ccnc(N[C@@H](C)CCCC(C)(C)O)c1 ZINC001157888481 1132753342 /nfs/dbraw/zinc/75/33/42/1132753342.db2.gz HNAIFOBIVPQWLL-ZDUSSCGKSA-N 0 1 280.412 3.610 20 0 CHADMN Clc1cc(NCCC2=CCCCC2)c2nc[nH]c2n1 ZINC001157948628 1132757146 /nfs/dbraw/zinc/75/71/46/1132757146.db2.gz RKEHMSGJHFKODS-UHFFFAOYSA-N 0 1 276.771 3.914 20 0 CHADMN Fc1cnc2c(cccc2Nc2ccc3nccn3c2)c1 ZINC001174279473 1132769544 /nfs/dbraw/zinc/76/95/44/1132769544.db2.gz BDSFFFSORBEOOT-UHFFFAOYSA-N 0 1 278.290 3.765 20 0 CHADMN Oc1c(Nc2ccc3nccn3c2)cccc1C(F)(F)F ZINC001174279592 1132770495 /nfs/dbraw/zinc/77/04/95/1132770495.db2.gz CFSSEYIOHNFOTR-UHFFFAOYSA-N 0 1 293.248 3.802 20 0 CHADMN Nc1ccc(/C=C/c2ccc(Nc3cn[nH]c3)cc2)cc1 ZINC001174296192 1132777680 /nfs/dbraw/zinc/77/76/80/1132777680.db2.gz PLXABWFGEMAXFD-OWOJBTEDSA-N 0 1 276.343 3.906 20 0 CHADMN Cc1nc2ccc(Nc3ccc4nccn4c3)cc2s1 ZINC001174276801 1132785569 /nfs/dbraw/zinc/78/55/69/1132785569.db2.gz PKLQXTNVHDQDEG-UHFFFAOYSA-N 0 1 280.356 3.996 20 0 CHADMN Cc1nc2ccccc2cc1Nc1ccc2nccn2c1 ZINC001174277524 1132786257 /nfs/dbraw/zinc/78/62/57/1132786257.db2.gz XYZBSYDIXSEKLW-UHFFFAOYSA-N 0 1 274.327 3.935 20 0 CHADMN CC(C)(C)c1cccc(C(=O)Nc2cccc3[nH]nnc32)c1 ZINC001158817062 1132793683 /nfs/dbraw/zinc/79/36/83/1132793683.db2.gz YAOZQSAWUGWOQS-UHFFFAOYSA-N 0 1 294.358 3.508 20 0 CHADMN CCOc1ccnc(N(C)[C@@H]2CCc3ccccc32)c1 ZINC001158922384 1132799164 /nfs/dbraw/zinc/79/91/64/1132799164.db2.gz UWKLNFHIZPVEBE-MRXNPFEDSA-N 0 1 268.360 3.604 20 0 CHADMN Cc1ccnc(Cl)c1Nc1cccc2[nH]ncc21 ZINC001174343656 1132800961 /nfs/dbraw/zinc/80/09/61/1132800961.db2.gz YGIWNWLNQQSUSQ-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN c1n[nH]c2cccc(Nc3ccc(N4CCCC4)cc3)c12 ZINC001174344480 1132801106 /nfs/dbraw/zinc/80/11/06/1132801106.db2.gz CNVONEOHCMJUGE-UHFFFAOYSA-N 0 1 278.359 3.907 20 0 CHADMN Cc1cc(C)c(Nc2cccc3[nH]ncc32)c(C)c1N ZINC001174343980 1132801229 /nfs/dbraw/zinc/80/12/29/1132801229.db2.gz IDXYVFLGOPZZSR-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN Fc1ccc(Nc2cccc3[nH]ncc32)c(F)c1F ZINC001174344042 1132802874 /nfs/dbraw/zinc/80/28/74/1132802874.db2.gz LCTOXTMUWGNMNZ-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN CC(=O)c1cc(Nc2cccc3[nH]ncc32)cc(C(C)=O)c1 ZINC001174344729 1132803819 /nfs/dbraw/zinc/80/38/19/1132803819.db2.gz AFTKNCJAQBNJNY-UHFFFAOYSA-N 0 1 293.326 3.712 20 0 CHADMN CC(C)c1cccnc1Nc1cccc2[nH]ncc21 ZINC001174344843 1132804667 /nfs/dbraw/zinc/80/46/67/1132804667.db2.gz QDHOTDJBZWOODD-UHFFFAOYSA-N 0 1 252.321 3.825 20 0 CHADMN Nc1nc2ccccc2n1-c1ccc(C(F)(F)F)cc1F ZINC001174401088 1132816134 /nfs/dbraw/zinc/81/61/34/1132816134.db2.gz RLRUFCIMZITZPO-UHFFFAOYSA-N 0 1 295.239 3.766 20 0 CHADMN COc1ccc(C)cc1Nc1cc([C@H]2CCCCN2)no1 ZINC001159308748 1132827501 /nfs/dbraw/zinc/82/75/01/1132827501.db2.gz MVWMYEFKJMEQSK-GFCCVEGCSA-N 0 1 287.363 3.550 20 0 CHADMN c1cc2cc(Nc3cc([C@H]4CCCCN4)no3)ccc2o1 ZINC001159308766 1132827549 /nfs/dbraw/zinc/82/75/49/1132827549.db2.gz NJSYKHJRJVFPKE-CYBMUJFWSA-N 0 1 283.331 3.979 20 0 CHADMN CCOc1ccccc1Nc1cc([C@H]2CCCCN2)no1 ZINC001159309377 1132828367 /nfs/dbraw/zinc/82/83/67/1132828367.db2.gz TXAANGANNSHFCL-GFCCVEGCSA-N 0 1 287.363 3.632 20 0 CHADMN Cc1ccc(CC=Nc2cc([C@@H]3CCCCN3)no2)cc1 ZINC001159313309 1132830021 /nfs/dbraw/zinc/83/00/21/1132830021.db2.gz LLYDQGICTYSMLG-GDXASINISA-N 0 1 283.375 3.880 20 0 CHADMN CSc1ccccc1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159313023 1132830551 /nfs/dbraw/zinc/83/05/51/1132830551.db2.gz IQAHNEGEBBDVEU-NSHDSACASA-N 0 1 289.404 3.955 20 0 CHADMN c1c(Nc2ccc3c(c2)CCCN3)onc1[C@H]1CCCCN1 ZINC001159313633 1132830705 /nfs/dbraw/zinc/83/07/05/1132830705.db2.gz QXMAZFBQYFYCIA-OAHLLOKOSA-N 0 1 298.390 3.591 20 0 CHADMN COc1ccc(F)c(F)c1Nc1nc(C(C)(C)C)ns1 ZINC001174423481 1132839501 /nfs/dbraw/zinc/83/95/01/1132839501.db2.gz ZIUVKQQSFLADTB-UHFFFAOYSA-N 0 1 299.346 3.866 20 0 CHADMN Cc1cc[nH+]c(C)c1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495463 1132861623 /nfs/dbraw/zinc/86/16/23/1132861623.db2.gz RHISKXTZEVHLAG-VOTSOKGWSA-N 0 1 268.316 3.540 20 0 CHADMN c1n[nH]c2cc(Nc3nccc4ccccc43)ccc12 ZINC001174498388 1132863347 /nfs/dbraw/zinc/86/33/47/1132863347.db2.gz CIQKUUKMNSTNBG-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN FC(F)c1ccc(Nc2ccc3cn[nH]c3c2)nc1 ZINC001174498637 1132863443 /nfs/dbraw/zinc/86/34/43/1132863443.db2.gz IEGIJFCJEDFOGV-UHFFFAOYSA-N 0 1 260.247 3.639 20 0 CHADMN c1n[nH]c2cc(Nc3snnc3-c3ccccc3)ccc12 ZINC001174498169 1132863698 /nfs/dbraw/zinc/86/36/98/1132863698.db2.gz YGNYZAYSLGAUNM-UHFFFAOYSA-N 0 1 293.355 3.825 20 0 CHADMN Oc1cccc2sc(Nc3ccc4cn[nH]c4c3)nc21 ZINC001174498281 1132864059 /nfs/dbraw/zinc/86/40/59/1132864059.db2.gz BATLKKGTXUZPNQ-UHFFFAOYSA-N 0 1 282.328 3.622 20 0 CHADMN Cc1cnc(Cl)c(Nc2ccc3c[nH]nc3c2)c1 ZINC001174499203 1132865068 /nfs/dbraw/zinc/86/50/68/1132865068.db2.gz NNRCOWDXIUJXQI-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN CC(C)Oc1cc(Nc2cccc3[nH]ncc32)c(F)cn1 ZINC001159573965 1132865266 /nfs/dbraw/zinc/86/52/66/1132865266.db2.gz FAMYANBDAPRLRL-UHFFFAOYSA-N 0 1 286.310 3.628 20 0 CHADMN Cn1nc(-c2ccccc2)cc1Nc1ccc2c[nH]nc2c1 ZINC001174498049 1132865312 /nfs/dbraw/zinc/86/53/12/1132865312.db2.gz RLXNHHBPPLKIJH-UHFFFAOYSA-N 0 1 289.342 3.707 20 0 CHADMN COC(=O)c1cc(C)c(F)cc1Nc1ccc2c[nH]nc2c1 ZINC001174500330 1132865389 /nfs/dbraw/zinc/86/53/89/1132865389.db2.gz GPVRWKMQUDGXJE-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1ccc(Nc2cccc3[nH]ncc32)c(F)c1F ZINC001159574475 1132865412 /nfs/dbraw/zinc/86/54/12/1132865412.db2.gz TWUTWYZIYPZNPB-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN FC(F)Oc1cccc(Nc2cccc3[nH]ncc32)c1 ZINC001159574723 1132865815 /nfs/dbraw/zinc/86/58/15/1132865815.db2.gz KYXWYXHIRDHHGT-UHFFFAOYSA-N 0 1 275.258 3.908 20 0 CHADMN Nc1ccccc1Nc1cc(Cl)cc2[nH]ncc21 ZINC001159597101 1132870712 /nfs/dbraw/zinc/87/07/12/1132870712.db2.gz WQTGHJYXEOIVBW-UHFFFAOYSA-N 0 1 258.712 3.542 20 0 CHADMN [O-]c1cc(F)c(Nc2ccc3c(c2)CC[NH2+]C3)cc1Cl ZINC001159603123 1132870832 /nfs/dbraw/zinc/87/08/32/1132870832.db2.gz AHHPRIRZZAWDND-UHFFFAOYSA-N 0 1 292.741 3.574 20 0 CHADMN Nc1ccc(Cl)cc1Nc1ccc2c[nH]nc2c1 ZINC001174501949 1132902218 /nfs/dbraw/zinc/90/22/18/1132902218.db2.gz OZAXNXKVEWMSBS-UHFFFAOYSA-N 0 1 258.712 3.542 20 0 CHADMN Fc1cc(F)c(Nc2ccc3c[nH]nc3c2)cc1F ZINC001174500568 1132902631 /nfs/dbraw/zinc/90/26/31/1132902631.db2.gz RXYOXWMCNFJSSI-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN FC(F)Oc1ccc(Nc2ccc3c[nH]nc3c2)cc1 ZINC001174500774 1132903227 /nfs/dbraw/zinc/90/32/27/1132903227.db2.gz XWJABQSEODLYMO-UHFFFAOYSA-N 0 1 275.258 3.908 20 0 CHADMN O=c1ccc2cccc(Nc3ccc4c[nH]nc4c3)c2[nH]1 ZINC001174502426 1132903936 /nfs/dbraw/zinc/90/39/36/1132903936.db2.gz ODILYNZBVXULFT-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN COc1ccnc(N[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC001159764214 1132905183 /nfs/dbraw/zinc/90/51/83/1132905183.db2.gz NEXMQWARSZGMNA-ZDUSSCGKSA-N 0 1 282.265 3.806 20 0 CHADMN CC(C)(C)c1cc(NC2=CCC3(CC2)OCCO3)sn1 ZINC001174638985 1132936389 /nfs/dbraw/zinc/93/63/89/1132936389.db2.gz YYMXTWMCHNLIAL-UHFFFAOYSA-N 0 1 294.420 3.663 20 0 CHADMN Cc1ccc(Nc2ccc(N)c(Cl)c2)c2cn[nH]c21 ZINC001160206303 1132945429 /nfs/dbraw/zinc/94/54/29/1132945429.db2.gz KQVYMKKNYWNPFP-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN CC(=O)OCc1cc(Nc2ccc3nc[nH]c3c2)ccc1C ZINC001160224321 1132949913 /nfs/dbraw/zinc/94/99/13/1132949913.db2.gz QCGQZZMYDMAWTF-UHFFFAOYSA-N 0 1 295.342 3.678 20 0 CHADMN COc1nc(C(C)C)ccc1Nc1ccc2nc[nH]c2c1 ZINC001160224573 1132950132 /nfs/dbraw/zinc/95/01/32/1132950132.db2.gz UFIWCEOYRJHFBF-UHFFFAOYSA-N 0 1 282.347 3.834 20 0 CHADMN Cc1cc(Nc2ccc3[nH]c[nH+]c3c2)cc(C)c1C(=O)[O-] ZINC001160224384 1132950220 /nfs/dbraw/zinc/95/02/20/1132950220.db2.gz QNJVUSITZQIJPX-UHFFFAOYSA-N 0 1 281.315 3.622 20 0 CHADMN Cc1ccc(Nc2cccc3c2CCN3)c2cn[nH]c21 ZINC001160279947 1132956613 /nfs/dbraw/zinc/95/66/13/1132956613.db2.gz SCMOQJUIOBHRNF-UHFFFAOYSA-N 0 1 264.332 3.583 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc2c(c1)CCCO2 ZINC001174720888 1132964564 /nfs/dbraw/zinc/96/45/64/1132964564.db2.gz RTFBZWUUWNCODB-UHFFFAOYSA-N 0 1 297.333 3.850 20 0 CHADMN COC1CCC(CCNc2ncc(C)cc2C)CC1 ZINC001160641682 1132976657 /nfs/dbraw/zinc/97/66/57/1132976657.db2.gz IKSLECIJNMQQDT-UHFFFAOYSA-N 0 1 262.397 3.706 20 0 CHADMN Cc1ccc(N[C@@H](c2ccccc2)C2(O)CCC2)nc1C ZINC001160535980 1132974570 /nfs/dbraw/zinc/97/45/70/1132974570.db2.gz KCHNDKMMJDPDDN-KRWDZBQOSA-N 0 1 282.387 3.767 20 0 CHADMN FC1(F)CC2(CC(Nc3nc4[nH]cnc4cc3Cl)C2)C1 ZINC001160589929 1132975361 /nfs/dbraw/zinc/97/53/61/1132975361.db2.gz BFXLQZRGGRABOB-UHFFFAOYSA-N 0 1 298.724 3.601 20 0 CHADMN CCOc1ccnc(NCCc2c[nH]c3ccccc23)c1 ZINC001160775565 1132980852 /nfs/dbraw/zinc/98/08/52/1132980852.db2.gz JSLIJVYDJTWRQS-UHFFFAOYSA-N 0 1 281.359 3.616 20 0 CHADMN Clc1ccnc(CNc2ccc3c(n2)CCC3)c1Cl ZINC001160927312 1132987556 /nfs/dbraw/zinc/98/75/56/1132987556.db2.gz PWTHRXVZZXPDBT-UHFFFAOYSA-N 0 1 294.185 3.884 20 0 CHADMN CCC1(CNC(=O)c2ccc(F)cc2O)CCCCC1 ZINC001161127628 1132994353 /nfs/dbraw/zinc/99/43/53/1132994353.db2.gz UUEBKEFYGNYMTM-UHFFFAOYSA-N 0 1 279.355 3.622 20 0 CHADMN CCC[C@@H](NC(=O)c1ccc(Cl)c(O)c1)C1CCC1 ZINC001161466306 1133003784 /nfs/dbraw/zinc/00/37/84/1133003784.db2.gz VAHRGCHGMWRASY-CYBMUJFWSA-N 0 1 281.783 3.744 20 0 CHADMN c1ncn(CC2CCC2)c1CNc1ccc2c(n1)CCCC2 ZINC001161530963 1133005626 /nfs/dbraw/zinc/00/56/26/1133005626.db2.gz AUZDCIFUGAEIGQ-UHFFFAOYSA-N 0 1 296.418 3.569 20 0 CHADMN Cc1cc2cc[nH]c2c(NCc2ccccc2C)n1 ZINC001161617491 1133009766 /nfs/dbraw/zinc/00/97/66/1133009766.db2.gz WKUJIQUWCBOXTB-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN CC(C)(C)CNc1nc2ccc(Br)cc2[nH]1 ZINC001161639261 1133012605 /nfs/dbraw/zinc/01/26/05/1133012605.db2.gz NWNAUBUDMKYLCW-UHFFFAOYSA-N 0 1 282.185 3.783 20 0 CHADMN O=C(c1ccc(F)cc1O)N1CCC[C@@H](C2CCC2)CC1 ZINC001161747664 1133022366 /nfs/dbraw/zinc/02/23/66/1133022366.db2.gz KYOCZKMPCUQFHY-CYBMUJFWSA-N 0 1 291.366 3.574 20 0 CHADMN COc1cc2cnc(N[C@H]3CC=CCC3)cc2cc1OC ZINC001161754744 1133024766 /nfs/dbraw/zinc/02/47/66/1133024766.db2.gz VCERRGHSBHRYIJ-AWEZNQCLSA-N 0 1 284.359 3.773 20 0 CHADMN COc1ncccc1[C@@H](Nc1ccc(C)c(C)n1)C1CC1 ZINC001161782037 1133029247 /nfs/dbraw/zinc/02/92/47/1133029247.db2.gz CSKRFCVOZCBQGE-INIZCTEOSA-N 0 1 283.375 3.665 20 0 CHADMN CCC[C@H]1CCCC[C@@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC001161843406 1133035717 /nfs/dbraw/zinc/03/57/17/1133035717.db2.gz GVTLCJXNLXLCOW-UONOGXRCSA-N 0 1 299.418 3.899 20 0 CHADMN Cc1cnc(N[C@H](c2ccnc(F)c2)C2CC2)cc1C ZINC001161847804 1133036799 /nfs/dbraw/zinc/03/67/99/1133036799.db2.gz VYGIGGQQLQXRFQ-INIZCTEOSA-N 0 1 271.339 3.796 20 0 CHADMN c1ncn2cccc(N[C@H](c3ccccc3)C3CC3)c12 ZINC001161962649 1133043940 /nfs/dbraw/zinc/04/39/40/1133043940.db2.gz OMINNMQRPZRAMY-QGZVFWFLSA-N 0 1 263.344 3.898 20 0 CHADMN Cc1cnc(NCC(C)(C)Cc2ccccc2F)c(N)c1 ZINC001162133426 1133053899 /nfs/dbraw/zinc/05/38/99/1133053899.db2.gz ZUGXBAYMLJVYBU-UHFFFAOYSA-N 0 1 287.382 3.792 20 0 CHADMN Fc1cccnc1C1(CNc2ccc3c(n2)CCCC3)CC1 ZINC001162158896 1133055677 /nfs/dbraw/zinc/05/56/77/1133055677.db2.gz JPHUMRQBRHEMAY-UHFFFAOYSA-N 0 1 297.377 3.638 20 0 CHADMN CCCCNc1nccc2c1CCN(Cc1ccccc1)C2 ZINC001162201558 1133059290 /nfs/dbraw/zinc/05/92/90/1133059290.db2.gz WXQSNAIODNVNHS-UHFFFAOYSA-N 0 1 295.430 3.852 20 0 CHADMN Cc1ccc(N[C@H]2CCOc3c(F)cc(F)cc32)nc1C ZINC001162405959 1133076153 /nfs/dbraw/zinc/07/61/53/1133076153.db2.gz IDWHSMFXXIQZMC-AWEZNQCLSA-N 0 1 290.313 3.912 20 0 CHADMN Cc1nc2ccc(NC[C@H]3CCCC[C@@H]3C)nc2[nH]1 ZINC001162524453 1133087895 /nfs/dbraw/zinc/08/78/95/1133087895.db2.gz HAPVQCAQYXZEAW-CMPLNLGQSA-N 0 1 258.369 3.505 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc1F ZINC000250751054 1133093230 /nfs/dbraw/zinc/09/32/30/1133093230.db2.gz OMNYLLJFZWZPIM-OLZOCXBDSA-N 0 1 281.346 3.683 20 0 CHADMN CC(C)(C)C(=N)Nc1cc(Cl)nc2cccnc21 ZINC001162661665 1133102137 /nfs/dbraw/zinc/10/21/37/1133102137.db2.gz GNFZUGHRLHSEOV-UHFFFAOYSA-N 0 1 262.744 3.718 20 0 CHADMN Fc1ccc(F)c2c1CC[C@@H]2Nc1ccc2c(n1)CCC2 ZINC001162931412 1133122527 /nfs/dbraw/zinc/12/25/27/1133122527.db2.gz GCAPFVOCAIXXIU-HNNXBMFYSA-N 0 1 286.325 3.948 20 0 CHADMN CS[C@H](CNc1ccncc1C(F)(F)F)C(C)(C)C ZINC001163031030 1133127024 /nfs/dbraw/zinc/12/70/24/1133127024.db2.gz LWECGPOSDZSEGG-LLVKDONJSA-N 0 1 292.370 3.712 20 0 CHADMN CCOc1ccnc(N[C@H](c2cccnc2)C(C)C)c1 ZINC001163059537 1133128926 /nfs/dbraw/zinc/12/89/26/1133128926.db2.gz NJUDLOAQKMISQK-INIZCTEOSA-N 0 1 271.364 3.685 20 0 CHADMN Cc1cnc(N[C@H]2CCCc3ccncc32)c(C)c1 ZINC001163166807 1133132966 /nfs/dbraw/zinc/13/29/66/1133132966.db2.gz OPIBGWXVWLGSBJ-HNNXBMFYSA-N 0 1 253.349 3.583 20 0 CHADMN Cc1ccc(NCc2cccc(C(F)(F)F)n2)nc1C ZINC001163181086 1133134425 /nfs/dbraw/zinc/13/44/25/1133134425.db2.gz PCVRJJBSVVPLNF-UHFFFAOYSA-N 0 1 281.281 3.724 20 0 CHADMN Cc1cc(N2CCCC2)nc(N[C@H]2CCCC23CCC3)n1 ZINC001163514025 1133154946 /nfs/dbraw/zinc/15/49/46/1133154946.db2.gz KHPISEFFYRWWRK-AWEZNQCLSA-N 0 1 286.423 3.520 20 0 CHADMN CCN(Cc1ccncc1)c1nccc2cc(OC)ccc21 ZINC001163608109 1133162134 /nfs/dbraw/zinc/16/21/34/1133162134.db2.gz RRVGSYJQAUNBRI-UHFFFAOYSA-N 0 1 293.370 3.665 20 0 CHADMN CC(C)c1ccc(CNc2ccnc3[nH]cnc32)cc1 ZINC001163823108 1133177490 /nfs/dbraw/zinc/17/74/90/1133177490.db2.gz ZSPRNFSICWXYOM-UHFFFAOYSA-N 0 1 266.348 3.693 20 0 CHADMN Cc1ccc2c(ccnc2NC[C@H]2Cc3ccccc3O2)c1 ZINC001163858826 1133180308 /nfs/dbraw/zinc/18/03/08/1133180308.db2.gz KFLBQQLLFZJXGU-MRXNPFEDSA-N 0 1 290.366 3.959 20 0 CHADMN Cc1cc(C)nc(N2CCc3ccccc3[C@@H]2C)c1 ZINC001163954158 1133186886 /nfs/dbraw/zinc/18/68/86/1133186886.db2.gz NRWWDQFHTQWLMH-AWEZNQCLSA-N 0 1 252.361 3.822 20 0 CHADMN C[C@@H](Nc1cnc2n[nH]nc2c1)c1ccc2ccccc2c1 ZINC001164143714 1133200891 /nfs/dbraw/zinc/20/08/91/1133200891.db2.gz QBYMSPJCKXFCEG-LLVKDONJSA-N 0 1 289.342 3.679 20 0 CHADMN CNc1ccc(CNc2ccc3[nH]cnc3c2C)cc1 ZINC001164154364 1133202019 /nfs/dbraw/zinc/20/20/19/1133202019.db2.gz XAJBETLWMRVZCK-UHFFFAOYSA-N 0 1 266.348 3.525 20 0 CHADMN COc1ccc(CCCNc2cn3ccnc3cc2C)cc1 ZINC001164191744 1133204267 /nfs/dbraw/zinc/20/42/67/1133204267.db2.gz BJPTYNJHCHCXAS-UHFFFAOYSA-N 0 1 295.386 3.696 20 0 CHADMN Cc1ccc2c(ccnc2NCc2ccc3nonc3c2)c1 ZINC001164342406 1133214589 /nfs/dbraw/zinc/21/45/89/1133214589.db2.gz IHZFJYKSQVBYGE-UHFFFAOYSA-N 0 1 290.326 3.692 20 0 CHADMN CC[C@@H](C)[C@H](Sc1nc2ccc(C)cc2[nH]1)C(=O)OC ZINC001164573022 1133223608 /nfs/dbraw/zinc/22/36/08/1133223608.db2.gz QYPIRBPMVKGTIK-MFKMUULPSA-N 0 1 292.404 3.551 20 0 CHADMN c1cc2nc3cc(NC[C@@H]4CCCCO4)ccc3c-2c[nH]1 ZINC001165240504 1133232522 /nfs/dbraw/zinc/23/25/22/1133232522.db2.gz MZIQEBCTZNFXTK-ZDUSSCGKSA-N 0 1 281.359 3.697 20 0 CHADMN Fc1cc2[nH]cnc2cc1NC/C=C/c1ccccc1 ZINC001166154366 1133261517 /nfs/dbraw/zinc/26/15/17/1133261517.db2.gz YMYRKPVAYAYPRV-QPJJXVBHSA-N 0 1 267.307 3.827 20 0 CHADMN COc1ccc2c(ccnc2N2CCC[C@@H](C)[C@H]2C)c1 ZINC001166611178 1133275413 /nfs/dbraw/zinc/27/54/13/1133275413.db2.gz RQSRZSAEANSCBU-CHWSQXEVSA-N 0 1 270.376 3.868 20 0 CHADMN CCC(CC)CN(CC)Cc1nc2c(o1)CCCC2 ZINC001166997164 1133297555 /nfs/dbraw/zinc/29/75/55/1133297555.db2.gz ONMHAJWEIVHAMW-UHFFFAOYSA-N 0 1 264.413 3.812 20 0 CHADMN CCc1cc(CN(C)CCc2ccc(Cl)cc2)on1 ZINC001203225693 1133306307 /nfs/dbraw/zinc/30/63/07/1133306307.db2.gz VLOBPSUXOQGYMW-UHFFFAOYSA-N 0 1 278.783 3.565 20 0 CHADMN CCc1cc(CN(Cc2ccccc2)C2CCC2)on1 ZINC001203232454 1133308168 /nfs/dbraw/zinc/30/81/68/1133308168.db2.gz SHGARMFWGPCCEK-UHFFFAOYSA-N 0 1 270.376 3.792 20 0 CHADMN CCc1nc(C)c(CN(C)Cc2ccc(C)c(C)c2)[nH]1 ZINC001203247434 1133308966 /nfs/dbraw/zinc/30/89/66/1133308966.db2.gz DSLFDRKUXQJOIH-UHFFFAOYSA-N 0 1 271.408 3.529 20 0 CHADMN Clc1cccc(OC2CCN(Cc3ccco3)CC2)c1 ZINC001203278585 1133309936 /nfs/dbraw/zinc/30/99/36/1133309936.db2.gz ZXSWENNTYJEFRZ-UHFFFAOYSA-N 0 1 291.778 3.976 20 0 CHADMN CC1(C)C[C@@]1(C)CNCc1csc(C(F)(F)F)n1 ZINC001203511077 1133333709 /nfs/dbraw/zinc/33/37/09/1133333709.db2.gz LBFKEZBBOGCQNY-NSHDSACASA-N 0 1 278.343 3.688 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccnc1C ZINC001203519804 1133334874 /nfs/dbraw/zinc/33/48/74/1133334874.db2.gz LJWFZDYCJRAQGM-UHFFFAOYSA-N 0 1 265.316 3.690 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc[nH]c1=S ZINC001203521618 1133334977 /nfs/dbraw/zinc/33/49/77/1133334977.db2.gz FANQAPFYEKOUMO-UHFFFAOYSA-N 0 1 283.356 3.671 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(C)nc1C ZINC001203519486 1133335702 /nfs/dbraw/zinc/33/57/02/1133335702.db2.gz ICRRRGDTLODRBY-UHFFFAOYSA-N 0 1 279.343 3.999 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1c(O)cccc1F ZINC001203526347 1133336949 /nfs/dbraw/zinc/33/69/49/1133336949.db2.gz UGKCFQJXBDMGDQ-UHFFFAOYSA-N 0 1 284.290 3.832 20 0 CHADMN CC(C)(O)c1ccc(CNc2ccc3c(n2)CCCC3)cc1 ZINC001203565847 1133340731 /nfs/dbraw/zinc/34/07/31/1133340731.db2.gz KCBHMSCKHUUESN-UHFFFAOYSA-N 0 1 296.414 3.800 20 0 CHADMN Fc1ccc(CNc2ccc3c(n2)CCCC3)c(F)c1F ZINC001203565516 1133340844 /nfs/dbraw/zinc/34/08/44/1133340844.db2.gz DBOYJNWRTQVBFN-UHFFFAOYSA-N 0 1 292.304 3.990 20 0 CHADMN Cc1ncn(C)c1Nc1cccnc1-c1ccccc1 ZINC001203648902 1133347575 /nfs/dbraw/zinc/34/75/75/1133347575.db2.gz ASXACEUWEDYDNX-UHFFFAOYSA-N 0 1 264.332 3.534 20 0 CHADMN Cc1ccc(CN2CC[C@](C)(F)[C@@H](F)C2)c(C)c1 ZINC001203730269 1133361203 /nfs/dbraw/zinc/36/12/03/1133361203.db2.gz YRMCIYHKCOIDMP-GJZGRUSLSA-N 0 1 253.336 3.575 20 0 CHADMN CN(Cc1ccc(F)c(Cl)c1)C1CC(F)(F)C1 ZINC001204281836 1133428997 /nfs/dbraw/zinc/42/89/97/1133428997.db2.gz LLLHVOFISVOATB-UHFFFAOYSA-N 0 1 263.690 3.709 20 0 CHADMN Cc1ccc(C)c(CN2CCCC(F)(F)[C@H](F)C2)c1 ZINC001203744083 1133364112 /nfs/dbraw/zinc/36/41/12/1133364112.db2.gz YPLMHDINGPZYPS-CQSZACIVSA-N 0 1 271.326 3.873 20 0 CHADMN Fc1cccc(C[N@H+]2CC[C@@H]2COCc2ccccc2)c1 ZINC001203786512 1133369001 /nfs/dbraw/zinc/36/90/01/1133369001.db2.gz KNGBMWLMVAVAAJ-GOSISDBHSA-N 0 1 285.362 3.617 20 0 CHADMN Fc1cccc(CN2CC[C@@H]2COCc2ccccc2)c1 ZINC001203786512 1133369006 /nfs/dbraw/zinc/36/90/06/1133369006.db2.gz KNGBMWLMVAVAAJ-GOSISDBHSA-N 0 1 285.362 3.617 20 0 CHADMN c1nc2cc(CNCc3cccc4c3OCC4)ccc2s1 ZINC001203799516 1133369583 /nfs/dbraw/zinc/36/95/83/1133369583.db2.gz FRKSPPSXMBEFHL-UHFFFAOYSA-N 0 1 296.395 3.521 20 0 CHADMN COc1cc(CN2CCc3ccccc3[C@@H]2C)cc(OC)c1 ZINC001203855098 1133375181 /nfs/dbraw/zinc/37/51/81/1133375181.db2.gz RUXCHSGGYJZHMM-AWEZNQCLSA-N 0 1 297.398 3.823 20 0 CHADMN COc1cc(CN2Cc3ccccc3[C@H](C)C2)cc(OC)c1 ZINC001203855602 1133376751 /nfs/dbraw/zinc/37/67/51/1133376751.db2.gz XWKMLFZUNMMRDG-CQSZACIVSA-N 0 1 297.398 3.823 20 0 CHADMN COC[C@H]1CCCCN1Cc1cccc(C(F)(F)F)c1 ZINC001203885476 1133380310 /nfs/dbraw/zinc/38/03/10/1133380310.db2.gz NMNWZEZQVICFCT-CQSZACIVSA-N 0 1 287.325 3.706 20 0 CHADMN COc1ccc(CN2CCc3cccc(OC)c3C2)cc1C ZINC001203895456 1133381258 /nfs/dbraw/zinc/38/12/58/1133381258.db2.gz UQLZKELCNQHAIG-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN O=C1c2ccccc2[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@H]12 ZINC001203918920 1133384367 /nfs/dbraw/zinc/38/43/67/1133384367.db2.gz LQJJTHXKMHLFNB-IRXDYDNUSA-N 0 1 297.785 3.752 20 0 CHADMN Clc1ccc(CN2CC(c3ccccc3)C2)cc1 ZINC001203923926 1133385895 /nfs/dbraw/zinc/38/58/95/1133385895.db2.gz UTTLHFKDQWZGIY-UHFFFAOYSA-N 0 1 257.764 3.939 20 0 CHADMN Cl/C=C/CNCc1ccc(Br)cc1Cl ZINC001203954077 1133390466 /nfs/dbraw/zinc/39/04/66/1133390466.db2.gz PHFUBZDUFPPMLL-DAFODLJHSA-N 0 1 295.007 3.945 20 0 CHADMN F[C@H]1CSC2(CN(Cc3ccc4ccccc4c3)C2)C1 ZINC001203999388 1133396920 /nfs/dbraw/zinc/39/69/20/1133396920.db2.gz FBPMYJZWXOXBOY-MRXNPFEDSA-N 0 1 287.403 3.869 20 0 CHADMN C[C@H](c1cccc(Br)c1)N(C)Cc1ccc[nH]1 ZINC001204010384 1133398244 /nfs/dbraw/zinc/39/82/44/1133398244.db2.gz KIRPDIIGKDASJE-LLVKDONJSA-N 0 1 293.208 3.970 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2c[nH]c3ccccc23)no1 ZINC001204041353 1133401975 /nfs/dbraw/zinc/40/19/75/1133401975.db2.gz IXPUXZRTDLPREE-KRWDZBQOSA-N 0 1 281.359 3.801 20 0 CHADMN Cc1ncccc1CN(C)Cc1c[nH]c2ccccc12 ZINC001204045855 1133403749 /nfs/dbraw/zinc/40/37/49/1133403749.db2.gz MACXWDDETKXLQU-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN c1csc([C@@H]2CCCN2Cc2c[nH]c3ccccc23)n1 ZINC001204049109 1133404177 /nfs/dbraw/zinc/40/41/77/1133404177.db2.gz TUBIQZFOJICELF-HNNXBMFYSA-N 0 1 283.400 3.962 20 0 CHADMN c1csc([C@H]2CCCN2Cc2c[nH]c3ccccc23)n1 ZINC001204049114 1133404203 /nfs/dbraw/zinc/40/42/03/1133404203.db2.gz TUBIQZFOJICELF-OAHLLOKOSA-N 0 1 283.400 3.962 20 0 CHADMN c1[nH]c2ccccc2c1CN1CCO[C@H](c2ccccc2)C1 ZINC001204043671 1133404443 /nfs/dbraw/zinc/40/44/43/1133404443.db2.gz XFDQCEZBMJXDQD-IBGZPJMESA-N 0 1 292.382 3.741 20 0 CHADMN Fc1ccccc1[C@H]1CCCCN1Cc1ccncc1 ZINC001204082797 1133406682 /nfs/dbraw/zinc/40/66/82/1133406682.db2.gz STRAZODQCHJRQT-QGZVFWFLSA-N 0 1 270.351 3.948 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)C(C)(C)Cc1ccccc1 ZINC001204159079 1133411843 /nfs/dbraw/zinc/41/18/43/1133411843.db2.gz VXJFDHKCNMSZCR-UHFFFAOYSA-N 0 1 297.398 3.838 20 0 CHADMN Cc1ccc(CN2CC[C@@H](OC(=O)OC(C)(C)C)C2)cc1 ZINC001204169604 1133414559 /nfs/dbraw/zinc/41/45/59/1133414559.db2.gz YGIVWUIPIOOSBT-OAHLLOKOSA-N 0 1 291.391 3.521 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(Cl)c2Cl)CC[C@H]1O ZINC001204181483 1133415984 /nfs/dbraw/zinc/41/59/84/1133415984.db2.gz PHDHKTDHCYDAPJ-ZWNOBZJWSA-N 0 1 288.218 3.586 20 0 CHADMN CCOc1cc(CN2CC3(C2)CCCCC3)ccc1OC ZINC001204190916 1133418272 /nfs/dbraw/zinc/41/82/72/1133418272.db2.gz YGPNEFSWZODMPW-UHFFFAOYSA-N 0 1 289.419 3.860 20 0 CHADMN CN(CCC(=O)c1cccs1)Cc1ccc(F)c(F)c1 ZINC001204227247 1133420681 /nfs/dbraw/zinc/42/06/81/1133420681.db2.gz GHIQHOOIAFELPP-UHFFFAOYSA-N 0 1 295.354 3.731 20 0 CHADMN Fc1ccc(CN2CCC3(CC(F)C3)CC2)cc1F ZINC001204222055 1133421198 /nfs/dbraw/zinc/42/11/98/1133421198.db2.gz ROOWTDFBDRWFFW-UHFFFAOYSA-N 0 1 269.310 3.679 20 0 CHADMN Fc1ccc(CN2CCCCC23CC3)cc1Cl ZINC001204285035 1133428192 /nfs/dbraw/zinc/42/81/92/1133428192.db2.gz IKSGJKRWHBLIPN-UHFFFAOYSA-N 0 1 253.748 3.998 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C)cc2)c(OC)c1C ZINC001204262228 1133426800 /nfs/dbraw/zinc/42/68/00/1133426800.db2.gz MJHBKMMTOXKCGB-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN COc1ccc(CN(C)Cc2ccccc2C)c(OC)c1C ZINC001204261825 1133427802 /nfs/dbraw/zinc/42/78/02/1133427802.db2.gz GOOWXQXANVMYBN-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN C[C@@H]1CN(Cc2ccc(F)c(Cl)c2)C2(CC2)C1 ZINC001204285326 1133428179 /nfs/dbraw/zinc/42/81/79/1133428179.db2.gz XQVRVEZQDORKTH-JTQLQIEISA-N 0 1 253.748 3.854 20 0 CHADMN Fc1ccc(CN2CC[C@H](COCC3CC3)C2)cc1Cl ZINC001204285164 1133429024 /nfs/dbraw/zinc/42/90/24/1133429024.db2.gz NLASOJLKCYWUSV-AWEZNQCLSA-N 0 1 297.801 3.728 20 0 CHADMN Cc1[nH]c2ccccc2c1CN1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001204291321 1133429822 /nfs/dbraw/zinc/42/98/22/1133429822.db2.gz JDWMRIIZNOSEGW-YJBOKZPZSA-N 0 1 296.414 3.810 20 0 CHADMN CCCOc1ccc(CN2CCC[C@H]2c2cnccn2)cc1 ZINC001204307119 1133433720 /nfs/dbraw/zinc/43/37/20/1133433720.db2.gz DDSVXYQYRMIVHR-SFHVURJKSA-N 0 1 297.402 3.603 20 0 CHADMN Cn1cc(C[N@@H+](C)Cc2ccccc2F)c2ccccc21 ZINC001204320549 1133437327 /nfs/dbraw/zinc/43/73/27/1133437327.db2.gz MPHQZJKQARYQAS-UHFFFAOYSA-N 0 1 282.362 3.949 20 0 CHADMN CN(Cc1cn(C)c2ccccc12)Cc1ccccc1F ZINC001204320549 1133437328 /nfs/dbraw/zinc/43/73/28/1133437328.db2.gz MPHQZJKQARYQAS-UHFFFAOYSA-N 0 1 282.362 3.949 20 0 CHADMN C[C@H]1CCN1Cc1ccccc1OCc1ccccc1 ZINC001204331727 1133438824 /nfs/dbraw/zinc/43/88/24/1133438824.db2.gz XRETXVONALGTOR-HNNXBMFYSA-N 0 1 267.372 3.860 20 0 CHADMN CCc1ccc(CN2CCN([C@@H](C)c3ccccc3)CC2)o1 ZINC001204393384 1133441808 /nfs/dbraw/zinc/44/18/08/1133441808.db2.gz VCMADGDJMQIDGX-INIZCTEOSA-N 0 1 298.430 3.721 20 0 CHADMN COc1cc(Cl)c(C[N@@H+](CC(C)C)C2CC2)cc1OC ZINC001204411769 1133444303 /nfs/dbraw/zinc/44/43/03/1133444303.db2.gz RLEPZNZUSCXSNE-UHFFFAOYSA-N 0 1 297.826 3.978 20 0 CHADMN CN(Cc1ccc(Cl)s1)C[C@H]1Cc2ccccc2O1 ZINC001204447929 1133448769 /nfs/dbraw/zinc/44/87/69/1133448769.db2.gz NGUGRRMDMNSUGI-GFCCVEGCSA-N 0 1 293.819 3.837 20 0 CHADMN Cc1c(F)cccc1CN1CCC(F)(F)[C@H](C)C1 ZINC001204506554 1133454579 /nfs/dbraw/zinc/45/45/79/1133454579.db2.gz BACQMPYHTUHVDJ-SNVBAGLBSA-N 0 1 257.299 3.611 20 0 CHADMN Cc1c(F)cccc1CN1CCc2ccccc2C1 ZINC001204506667 1133454725 /nfs/dbraw/zinc/45/47/25/1133454725.db2.gz JLUNXRQSZQSPMR-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN Cc1c(F)cccc1CN1CC[C@H](C(F)(F)F)C1 ZINC001204512789 1133454898 /nfs/dbraw/zinc/45/48/98/1133454898.db2.gz MYAPGIJDSAWSKV-NSHDSACASA-N 0 1 261.262 3.518 20 0 CHADMN Cc1cc(C)cc(CN2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC001204525275 1133457370 /nfs/dbraw/zinc/45/73/70/1133457370.db2.gz WSKKVDZTFJCFIP-FQEVSTJZSA-N 0 1 295.426 3.747 20 0 CHADMN CCN(Cc1snc(OC)c1Cl)[C@@H](C)C(C)C ZINC001204523940 1133457764 /nfs/dbraw/zinc/45/77/64/1133457764.db2.gz MCCJBMROPNLMGU-VIFPVBQESA-N 0 1 276.833 3.672 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(F)c(F)c(F)c1 ZINC001204529791 1133458832 /nfs/dbraw/zinc/45/88/32/1133458832.db2.gz OQXIDWFEGOTLTI-LLVKDONJSA-N 0 1 257.299 3.868 20 0 CHADMN Cc1cc(CN2CC[C@@H]2COCc2ccccc2)oc1C ZINC001204535685 1133459637 /nfs/dbraw/zinc/45/96/37/1133459637.db2.gz XLURUFZEZBWKEV-QGZVFWFLSA-N 0 1 285.387 3.688 20 0 CHADMN COc1cc(CN2CCC3(CC(F)(F)C3)CC2)ccc1F ZINC001204555459 1133461487 /nfs/dbraw/zinc/46/14/87/1133461487.db2.gz AUCPUUWIFBVXBL-UHFFFAOYSA-N 0 1 299.336 3.846 20 0 CHADMN Cc1nc[nH]c1CN1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001204592713 1133465166 /nfs/dbraw/zinc/46/51/66/1133465166.db2.gz PZOWHORAURUQNQ-NSHDSACASA-N 0 1 289.810 3.533 20 0 CHADMN CCOC(=O)[C@@H]1CCCCN1C[C@H](C)c1ccc(C)cc1 ZINC001204601847 1133466948 /nfs/dbraw/zinc/46/69/48/1133466948.db2.gz PDFOTJMRPLBLRE-RDJZCZTQSA-N 0 1 289.419 3.516 20 0 CHADMN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(O)c(F)c1 ZINC001204614517 1133468175 /nfs/dbraw/zinc/46/81/75/1133468175.db2.gz CDRHECRBKVVIOW-MRXNPFEDSA-N 0 1 287.378 3.984 20 0 CHADMN CC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc([O-])c(F)c1 ZINC001204614517 1133468178 /nfs/dbraw/zinc/46/81/78/1133468178.db2.gz CDRHECRBKVVIOW-MRXNPFEDSA-N 0 1 287.378 3.984 20 0 CHADMN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc([O-])c(F)c1 ZINC001204614517 1133468181 /nfs/dbraw/zinc/46/81/81/1133468181.db2.gz CDRHECRBKVVIOW-MRXNPFEDSA-N 0 1 287.378 3.984 20 0 CHADMN Cc1ccccc1CO[C@H]1CCN2Cc3ccccc3N=C12 ZINC001204660469 1133472144 /nfs/dbraw/zinc/47/21/44/1133472144.db2.gz IQUBFVBFJGAIBE-SFHVURJKSA-N 0 1 292.382 3.830 20 0 CHADMN FC1(F)CC2(C1)CCN(Cc1nc3ccccc3[nH]1)CC2 ZINC001204750992 1133481675 /nfs/dbraw/zinc/48/16/75/1133481675.db2.gz BPLHBDGIARMZMJ-UHFFFAOYSA-N 0 1 291.345 3.574 20 0 CHADMN CN[C@H](c1nc(-c2cccc(F)c2Cl)no1)C(C)(C)C ZINC001204888674 1133496190 /nfs/dbraw/zinc/49/61/90/1133496190.db2.gz LJWZWSKUTDCICI-LLVKDONJSA-N 0 1 297.761 3.836 20 0 CHADMN Cc1cc2cc(Nc3cc(C)cc(C)n3)cnc2[nH]1 ZINC001204891188 1133496290 /nfs/dbraw/zinc/49/62/90/1133496290.db2.gz NMUULHNFELFXFO-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN CN[C@H](c1nc(-c2cccc3cccnc32)no1)C(C)(C)C ZINC001204895153 1133497233 /nfs/dbraw/zinc/49/72/33/1133497233.db2.gz JYXBNSZJYUVSHH-CQSZACIVSA-N 0 1 296.374 3.591 20 0 CHADMN Cc1cc(CN2CCC(Cc3ccccc3)CC2)cnc1F ZINC001205052842 1133521444 /nfs/dbraw/zinc/52/14/44/1133521444.db2.gz MVIMZBVPOFRERT-UHFFFAOYSA-N 0 1 298.405 3.984 20 0 CHADMN Cc1ccc(OCCN(C)Cc2ccc(C)cc2F)cc1 ZINC001205107793 1133530234 /nfs/dbraw/zinc/53/02/34/1133530234.db2.gz JTAHPUODVUNJPY-UHFFFAOYSA-N 0 1 287.378 3.953 20 0 CHADMN Cc1ccccc1OCCN(C)Cc1cc(F)cc(F)c1 ZINC001205115512 1133531986 /nfs/dbraw/zinc/53/19/86/1133531986.db2.gz NKCNTLPQHDMYGB-UHFFFAOYSA-N 0 1 291.341 3.784 20 0 CHADMN C[C@@H]1CN(Cc2ccc(N)c(F)c2)Cc2ccccc21 ZINC001205164242 1133539931 /nfs/dbraw/zinc/53/99/31/1133539931.db2.gz BFLPRPIYWCMPMO-GFCCVEGCSA-N 0 1 270.351 3.527 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cc(C)co2)cc1 ZINC001205193705 1133544590 /nfs/dbraw/zinc/54/45/90/1133544590.db2.gz XEEVLENSJNOWRX-CYBMUJFWSA-N 0 1 259.349 3.790 20 0 CHADMN Cc1ccc(CN2CCN(C)[C@H](c3ccccc3)C2)cc1F ZINC001205227652 1133547790 /nfs/dbraw/zinc/54/77/90/1133547790.db2.gz KSEZOFOABCCZKK-IBGZPJMESA-N 0 1 298.405 3.623 20 0 CHADMN Cc1oc2ccccc2c1CNCc1ccncc1F ZINC001205268729 1133552871 /nfs/dbraw/zinc/55/28/71/1133552871.db2.gz AJARWPQBVFCZOD-UHFFFAOYSA-N 0 1 270.307 3.565 20 0 CHADMN Cc1cc(CN2CCCC[C@H](C)C2)ncc1Br ZINC001205437777 1133576807 /nfs/dbraw/zinc/57/68/07/1133576807.db2.gz KBHRUAKWOLIJRA-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN Clc1ccccc1C[N@H+]1CC[C@@H](OC2CCCC2)C1 ZINC001205567269 1133589228 /nfs/dbraw/zinc/58/92/28/1133589228.db2.gz LSIILPKEHCUOPK-OAHLLOKOSA-N 0 1 279.811 3.874 20 0 CHADMN Clc1ccccc1CN1CC[C@@H](OC2CCCC2)C1 ZINC001205567269 1133589231 /nfs/dbraw/zinc/58/92/31/1133589231.db2.gz LSIILPKEHCUOPK-OAHLLOKOSA-N 0 1 279.811 3.874 20 0 CHADMN CC(C)Cn1nccc1C[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC001205639818 1133597442 /nfs/dbraw/zinc/59/74/42/1133597442.db2.gz MTOQARSLCFNKHB-CQSZACIVSA-N 0 1 263.429 3.550 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(F)c(F)c2Cl)nc1 ZINC001205666134 1133601314 /nfs/dbraw/zinc/60/13/14/1133601314.db2.gz BRVCJHMVQWIULR-UHFFFAOYSA-N 0 1 282.721 3.742 20 0 CHADMN CC(C)Oc1c(F)c(F)ccc1-c1cc2[nH]cnc2cn1 ZINC001205835898 1133620346 /nfs/dbraw/zinc/62/03/46/1133620346.db2.gz GBDBGQSUWKCQEN-UHFFFAOYSA-N 0 1 289.285 3.690 20 0 CHADMN COC1CCC(CN(C)Cc2c(F)cccc2F)CC1 ZINC001205933298 1133633411 /nfs/dbraw/zinc/63/34/11/1133633411.db2.gz RRUXMBYPOXYHCB-UHFFFAOYSA-N 0 1 283.362 3.602 20 0 CHADMN Cc1nc(CN2CCC3(CCc4ccc(C)cc43)CC2)co1 ZINC001206060821 1133651218 /nfs/dbraw/zinc/65/12/18/1133651218.db2.gz KKXUCXDPAKYLIJ-UHFFFAOYSA-N 0 1 296.414 3.771 20 0 CHADMN Cc1cc(C)cc(CCNCc2noc3c2CCCC3)c1 ZINC001206127358 1133661032 /nfs/dbraw/zinc/66/10/32/1133661032.db2.gz FUWHBTAABCPQIH-UHFFFAOYSA-N 0 1 284.403 3.503 20 0 CHADMN CCC1(CC)CN(Cc2ccc3c(c2)OCCCCO3)C1 ZINC001206174004 1133667052 /nfs/dbraw/zinc/66/70/52/1133667052.db2.gz FYVHWBULINRQRG-UHFFFAOYSA-N 0 1 289.419 3.860 20 0 CHADMN CCOc1cccc(CN2CC(c3ccc(F)cc3)C2)c1 ZINC001206174630 1133667114 /nfs/dbraw/zinc/66/71/14/1133667114.db2.gz OVAZNFBPCLAMOB-UHFFFAOYSA-N 0 1 285.362 3.824 20 0 CHADMN CC(C)CCCN1CC(OCCCc2ccccc2)C1 ZINC001206186113 1133669371 /nfs/dbraw/zinc/66/93/71/1133669371.db2.gz JAPRDVABGZKEAH-UHFFFAOYSA-N 0 1 275.436 3.756 20 0 CHADMN Cc1c(Cl)ccc(-c2cncc3nc[nH]c32)c1F ZINC001206277879 1133682022 /nfs/dbraw/zinc/68/20/22/1133682022.db2.gz HLPIFHBYRIGCDK-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN C[C@@H](c1nccc2ccccc21)N1CCC[C@@H](F)C1 ZINC001206560919 1133718096 /nfs/dbraw/zinc/71/80/96/1133718096.db2.gz YCVQKSAZGKWTFI-GXTWGEPZSA-N 0 1 258.340 3.730 20 0 CHADMN C[C@H](c1nccc2ccccc21)N1CCC[C@@H](F)C1 ZINC001206560922 1133718304 /nfs/dbraw/zinc/71/83/04/1133718304.db2.gz YCVQKSAZGKWTFI-TZMCWYRMSA-N 0 1 258.340 3.730 20 0 CHADMN CCCCN(Cc1ccccc1)Cc1cccnc1OC ZINC001206576582 1133720790 /nfs/dbraw/zinc/72/07/90/1133720790.db2.gz NHZGDBWXXMGITC-UHFFFAOYSA-N 0 1 284.403 3.893 20 0 CHADMN FC1(F)CC12CC(NCc1c(Cl)ccnc1Cl)C2 ZINC001206596995 1133725567 /nfs/dbraw/zinc/72/55/67/1133725567.db2.gz CAHCDNFYNAACPK-UHFFFAOYSA-N 0 1 293.144 3.666 20 0 CHADMN CC(C)Oc1cc(-c2cccc3nc[nH]c32)c(F)cn1 ZINC001206624189 1133729291 /nfs/dbraw/zinc/72/92/91/1133729291.db2.gz OQUCNSOBCYKPKY-UHFFFAOYSA-N 0 1 271.295 3.551 20 0 CHADMN Oc1cc(F)c(-c2nccc(-c3ccccc3)n2)cc1F ZINC001206748328 1133739914 /nfs/dbraw/zinc/73/99/14/1133739914.db2.gz GSVKBFFRODGAJV-UHFFFAOYSA-N 0 1 284.265 3.794 20 0 CHADMN Cc1nc2ccsc2c(-c2cc(F)c(O)cc2F)n1 ZINC001206749020 1133741480 /nfs/dbraw/zinc/74/14/80/1133741480.db2.gz SUSBPUQSRQTCDL-UHFFFAOYSA-N 0 1 278.283 3.651 20 0 CHADMN Oc1cc(F)c(-c2ccc(-c3ccccc3)nn2)cc1F ZINC001206755667 1133741877 /nfs/dbraw/zinc/74/18/77/1133741877.db2.gz ORCCMLDULMFHNA-UHFFFAOYSA-N 0 1 284.265 3.794 20 0 CHADMN COc1cnc(-c2cc(F)c(O)cc2F)c2ccccc12 ZINC001206761949 1133743619 /nfs/dbraw/zinc/74/36/19/1133743619.db2.gz RDWSZTLONYOOIU-UHFFFAOYSA-N 0 1 287.265 3.894 20 0 CHADMN Cc1cc(C)c2ccc(-c3cc(F)c(O)cc3F)nc2n1 ZINC001206768241 1133746306 /nfs/dbraw/zinc/74/63/06/1133746306.db2.gz TXPYYRGQWNKFGR-UHFFFAOYSA-N 0 1 286.281 3.897 20 0 CHADMN CCCN(CC)Cc1cc(-c2ccc(F)cc2)on1 ZINC001206834854 1133753536 /nfs/dbraw/zinc/75/35/36/1133753536.db2.gz QFWZRYDLDMOZTH-UHFFFAOYSA-N 0 1 262.328 3.713 20 0 CHADMN Fc1ccc(C[N@H+]2CC[C@H](c3ccccc3Cl)C2)nc1 ZINC001207041397 1133761390 /nfs/dbraw/zinc/76/13/90/1133761390.db2.gz YDWZROUUZREYHN-LBPRGKRZSA-N 0 1 290.769 3.864 20 0 CHADMN Fc1ccc(CN2CC[C@H](c3ccccc3Cl)C2)nc1 ZINC001207041397 1133761396 /nfs/dbraw/zinc/76/13/96/1133761396.db2.gz YDWZROUUZREYHN-LBPRGKRZSA-N 0 1 290.769 3.864 20 0 CHADMN c1nc(CN2CCC(c3ccccc3)CC2)n2ccccc12 ZINC001207049716 1133762557 /nfs/dbraw/zinc/76/25/57/1133762557.db2.gz BAOGAXJYUULLIS-UHFFFAOYSA-N 0 1 291.398 3.714 20 0 CHADMN Cc1cccc(CN(Cc2cccc(=O)[nH]2)C2CC2)c1C ZINC001207075096 1133765199 /nfs/dbraw/zinc/76/51/99/1133765199.db2.gz VLZPHWIHZICOCG-UHFFFAOYSA-N 0 1 282.387 3.569 20 0 CHADMN CC[C@H]1CCCN1Cc1c(F)cccc1OC(F)F ZINC001207111904 1133768596 /nfs/dbraw/zinc/76/85/96/1133768596.db2.gz CRNDUKNKQBBECM-JTQLQIEISA-N 0 1 273.298 3.802 20 0 CHADMN CN(Cc1ccncc1)Cc1cccc(C(F)F)c1 ZINC001207125927 1133771055 /nfs/dbraw/zinc/77/10/55/1133771055.db2.gz OSQMUHYMCRTCQB-UHFFFAOYSA-N 0 1 262.303 3.651 20 0 CHADMN CCn1ccnc1CN1CCC[C@H](CCc2ccccc2)C1 ZINC001207148454 1133771863 /nfs/dbraw/zinc/77/18/63/1133771863.db2.gz UUMSWSSASJVTIO-GOSISDBHSA-N 0 1 297.446 3.748 20 0 CHADMN Cc1ncccc1CN(C)C/C=C/c1ccccc1 ZINC001207154370 1133772226 /nfs/dbraw/zinc/77/22/26/1133772226.db2.gz FFLDZEMNJDFDMV-JXMROGBWSA-N 0 1 252.361 3.535 20 0 CHADMN Clc1ccc([C@H]2C[C@H]2CN2CCn3cccc3C2)cc1 ZINC001207188708 1133776545 /nfs/dbraw/zinc/77/65/45/1133776545.db2.gz VNAJFLHUFCNNBI-WMLDXEAASA-N 0 1 286.806 3.761 20 0 CHADMN Cc1nc2c(o1)CCN(CC[C@H]1CC=C(C)C1(C)C)C2 ZINC001207276566 1133785476 /nfs/dbraw/zinc/78/54/76/1133785476.db2.gz ZZZLPQGHNRQFET-CQSZACIVSA-N 0 1 274.408 3.724 20 0 CHADMN CCOC(=O)CN(C(CC)CC)[C@H](C)c1ccccc1 ZINC001207418699 1133799283 /nfs/dbraw/zinc/79/92/83/1133799283.db2.gz FMTKWXZORWAVPX-CQSZACIVSA-N 0 1 277.408 3.801 20 0 CHADMN Fc1ccccc1CCN1CCOC[C@H]1C1CCCCC1 ZINC001207502826 1133810094 /nfs/dbraw/zinc/81/00/94/1133810094.db2.gz JKCDGXVCZLAXTB-SFHVURJKSA-N 0 1 291.410 3.649 20 0 CHADMN O=C1CCN(CCCc2cccc(F)c2)[C@H]2CCCC[C@@H]12 ZINC001207599271 1133825667 /nfs/dbraw/zinc/82/56/67/1133825667.db2.gz DVQMETQQTYTSRQ-SJORKVTESA-N 0 1 289.394 3.592 20 0 CHADMN C[C@@H](CCCC(C)(C)O)CCN1CCn2cccc2[C@@H]1C ZINC001207679222 1133837528 /nfs/dbraw/zinc/83/75/28/1133837528.db2.gz WIISATOOCXBLGM-HOTGVXAUSA-N 0 1 292.467 3.832 20 0 CHADMN CC1(C)C(C)(C)C1(C)NCc1ccncc1Br ZINC001207736022 1133843281 /nfs/dbraw/zinc/84/32/81/1133843281.db2.gz YGBFXCUPTIDNJH-UHFFFAOYSA-N 0 1 297.240 3.758 20 0 CHADMN CC(C)c1ccccc1CN1CC(C(=O)OC(C)(C)C)C1 ZINC001207798965 1133848274 /nfs/dbraw/zinc/84/82/74/1133848274.db2.gz SLKZIEQBRAHFHO-UHFFFAOYSA-N 0 1 289.419 3.584 20 0 CHADMN CCc1ccc2c(c1)CCN(Cc1cn3ccnc3s1)C2 ZINC001207844195 1133853675 /nfs/dbraw/zinc/85/36/75/1133853675.db2.gz LDGWSVGHLGBFJR-UHFFFAOYSA-N 0 1 297.427 3.517 20 0 CHADMN Clc1ccc([C@@H]2CCCN2C[C@@H]2CCCO2)s1 ZINC001207860971 1133854567 /nfs/dbraw/zinc/85/45/67/1133854567.db2.gz LCWZBNUQCPHBQU-QWRGUYRKSA-N 0 1 271.813 3.717 20 0 CHADMN CN(CCCc1cccc(C(F)(F)F)c1)Cc1ccno1 ZINC001207848928 1133855192 /nfs/dbraw/zinc/85/51/92/1133855192.db2.gz SNBJTDKKGSXHIM-UHFFFAOYSA-N 0 1 298.308 3.758 20 0 CHADMN CC(C)c1ccc(C[C@@H](C)CN2CCC(=O)[C@H](C)C2)cc1 ZINC001207931831 1133863779 /nfs/dbraw/zinc/86/37/79/1133863779.db2.gz KAULUCIVUFCCGI-HZPDHXFCSA-N 0 1 287.447 3.900 20 0 CHADMN CS[C@H](C)CCN1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001208152211 1133886790 /nfs/dbraw/zinc/88/67/90/1133886790.db2.gz FMKBDXLWQSLKDY-CJNGLKHVSA-N 0 1 297.439 3.515 20 0 CHADMN Cc1ccc([C@@H](C)CCN2CCc3occc3C2)o1 ZINC001208171031 1133896243 /nfs/dbraw/zinc/89/62/43/1133896243.db2.gz YIGCENGDFBGWSI-LBPRGKRZSA-N 0 1 259.349 3.733 20 0 CHADMN CC1=C[C@H](C)[C@H](CN2CCn3cccc3[C@H]2C)CC1 ZINC001208182954 1133901229 /nfs/dbraw/zinc/90/12/29/1133901229.db2.gz WHBNSWATUKXBNX-XHSDSOJGSA-N 0 1 258.409 3.857 20 0 CHADMN CC(=O)c1ccc2c(c1)CN(CCc1cccc(F)c1)CC2 ZINC001208198412 1133905880 /nfs/dbraw/zinc/90/58/80/1133905880.db2.gz GVJHEFSLPLPMTM-UHFFFAOYSA-N 0 1 297.373 3.629 20 0 CHADMN C[C@H](CN1CCn2nccc2C1)c1cccc2ccccc21 ZINC001208711193 1133934159 /nfs/dbraw/zinc/93/41/59/1133934159.db2.gz UPWCUFUFMWKLOS-OAHLLOKOSA-N 0 1 291.398 3.656 20 0 CHADMN CCOC(C)(C)CN1CCc2cc(Cl)ccc2C1 ZINC001209077394 1133972220 /nfs/dbraw/zinc/97/22/20/1133972220.db2.gz JAJPKKSMABXXIU-UHFFFAOYSA-N 0 1 267.800 3.513 20 0 CHADMN CO[C@H](C)C1CN(CCc2ccc(Cl)cc2Cl)C1 ZINC001209082877 1133974171 /nfs/dbraw/zinc/97/41/71/1133974171.db2.gz GSMMTMMKRMSLGS-SNVBAGLBSA-N 0 1 288.218 3.503 20 0 CHADMN FC(F)(F)c1ccccc1CCN1CCC[C@@]2(CCO2)C1 ZINC001209282280 1133999086 /nfs/dbraw/zinc/99/90/86/1133999086.db2.gz BXVPJIXGHZIKNP-OAHLLOKOSA-N 0 1 299.336 3.503 20 0 CHADMN COC(C)(C)CCN1CCc2c3ccccc3oc2C1 ZINC001209410705 1134012193 /nfs/dbraw/zinc/01/21/93/1134012193.db2.gz UZSDELMPQHHFOG-UHFFFAOYSA-N 0 1 273.376 3.606 20 0 CHADMN C[C@H]1CN(Cc2cnc(Cl)s2)CCC[C@@H]1C ZINC001209460966 1134023983 /nfs/dbraw/zinc/02/39/83/1134023983.db2.gz GYNLQWWOOSBGGC-UWVGGRQHSA-N 0 1 258.818 3.665 20 0 CHADMN FC1CC2(C1)CCCN(Cc1cnc(Cl)s1)CC2 ZINC001209474199 1134026401 /nfs/dbraw/zinc/02/64/01/1134026401.db2.gz YPYMTHFZQKBHJZ-UHFFFAOYSA-N 0 1 288.819 3.901 20 0 CHADMN CC[N@@H+](Cc1c[nH]c2ccc(C)cc12)Cc1cccnc1 ZINC001209496073 1134029962 /nfs/dbraw/zinc/02/99/62/1134029962.db2.gz AFCYHYRBVMIMRB-UHFFFAOYSA-N 0 1 279.387 3.893 20 0 CHADMN Cc1cc(Cl)ncc1CN1CCC12CCCCC2 ZINC001209630750 1134042385 /nfs/dbraw/zinc/04/23/85/1134042385.db2.gz HMNCBDVUGQRTJX-UHFFFAOYSA-N 0 1 264.800 3.952 20 0 CHADMN CN(Cc1c2ccccc2nn1C)Cc1cccc(Cl)c1 ZINC001209537328 1134033879 /nfs/dbraw/zinc/03/38/79/1134033879.db2.gz RMCJQKUJENKEID-UHFFFAOYSA-N 0 1 299.805 3.859 20 0 CHADMN Cc1ccc(CN(C)Cc2c3ccccc3nn2C)cc1C ZINC001209539675 1134036597 /nfs/dbraw/zinc/03/65/97/1134036597.db2.gz NYUMSLHBHBXPDE-UHFFFAOYSA-N 0 1 293.414 3.822 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1c2ccccc2nn1C ZINC001209538930 1134037196 /nfs/dbraw/zinc/03/71/96/1134037196.db2.gz FDDPLHZXMLPVOK-DHZHZOJOSA-N 0 1 291.398 3.719 20 0 CHADMN Cc1cc(Cl)ncc1CN1CCC12CCCC2 ZINC001209630070 1134042666 /nfs/dbraw/zinc/04/26/66/1134042666.db2.gz DPUHEFNLPQTHCV-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN Cc1nc2ccccn2c1CN1CCc2ccc(C)cc2C1 ZINC001209647458 1134047683 /nfs/dbraw/zinc/04/76/83/1134047683.db2.gz LSMUWAKLIPENLP-UHFFFAOYSA-N 0 1 291.398 3.509 20 0 CHADMN COc1c(Cl)ccc(CN2C[C@H](C)C[C@@H](C)C2)c1F ZINC001209700961 1134050357 /nfs/dbraw/zinc/05/03/57/1134050357.db2.gz OZRKEADBWZEFNJ-GHMZBOCLSA-N 0 1 285.790 3.966 20 0 CHADMN COc1c(Cl)ccc(C[N@@H+](C)C2CC(C)C2)c1F ZINC001209700110 1134051159 /nfs/dbraw/zinc/05/11/59/1134051159.db2.gz ZJFZQZYPKSDKMB-UHFFFAOYSA-N 0 1 271.763 3.718 20 0 CHADMN COc1c(Cl)ccc(CN(C)C2CC(C)C2)c1F ZINC001209700110 1134051168 /nfs/dbraw/zinc/05/11/68/1134051168.db2.gz ZJFZQZYPKSDKMB-UHFFFAOYSA-N 0 1 271.763 3.718 20 0 CHADMN Clc1ccc2[nH]nc(C[N@@H+]3CC[C@H]4CCC[C@@H]4C3)c2c1 ZINC001209752394 1134058440 /nfs/dbraw/zinc/05/84/40/1134058440.db2.gz HLHXQRLXNIUEIH-VXGBXAGGSA-N 0 1 289.810 3.838 20 0 CHADMN Clc1ccc2[nH]nc(C[N@H+]3CC[C@H]4CCC[C@@H]4C3)c2c1 ZINC001209752394 1134058448 /nfs/dbraw/zinc/05/84/48/1134058448.db2.gz HLHXQRLXNIUEIH-VXGBXAGGSA-N 0 1 289.810 3.838 20 0 CHADMN Clc1ccc2[nH]nc(CN3CC[C@H]4CCC[C@@H]4C3)c2c1 ZINC001209752394 1134058455 /nfs/dbraw/zinc/05/84/55/1134058455.db2.gz HLHXQRLXNIUEIH-VXGBXAGGSA-N 0 1 289.810 3.838 20 0 CHADMN C[C@H]1C[N@@H+](Cc2[nH]nc3ccc(Cl)cc32)C2(CC2)C1 ZINC001209758946 1134060276 /nfs/dbraw/zinc/06/02/76/1134060276.db2.gz KBGNWFANQAUJDN-SNVBAGLBSA-N 0 1 275.783 3.591 20 0 CHADMN C[C@H]1CN(Cc2[nH]nc3ccc(Cl)cc32)C2(CC2)C1 ZINC001209758946 1134060294 /nfs/dbraw/zinc/06/02/94/1134060294.db2.gz KBGNWFANQAUJDN-SNVBAGLBSA-N 0 1 275.783 3.591 20 0 CHADMN C[C@H]1CN(Cc2n[nH]c3ccc(Cl)cc32)C2(CC2)C1 ZINC001209758946 1134060302 /nfs/dbraw/zinc/06/03/02/1134060302.db2.gz KBGNWFANQAUJDN-SNVBAGLBSA-N 0 1 275.783 3.591 20 0 CHADMN c1nc2ccc(Nc3ccc(C4CC4)nc3)cc2[nH]1 ZINC001209843353 1134078006 /nfs/dbraw/zinc/07/80/06/1134078006.db2.gz AESCKXJRSNNOMY-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN c1nc2ccc(Nc3cc(-c4ccncn4)cs3)cc2[nH]1 ZINC001209844770 1134079801 /nfs/dbraw/zinc/07/98/01/1134079801.db2.gz PDLHPBBQBMMESO-UHFFFAOYSA-N 0 1 293.355 3.825 20 0 CHADMN CC(=O)c1ccccc1Nc1ccc2nc[nH]c2c1 ZINC001209848088 1134080317 /nfs/dbraw/zinc/08/03/17/1134080317.db2.gz ZRDKPRAVTXGIQN-UHFFFAOYSA-N 0 1 251.289 3.509 20 0 CHADMN COc1cc(F)c(Nc2ccc3nc[nH]c3c2)c(F)c1 ZINC001209846990 1134081473 /nfs/dbraw/zinc/08/14/73/1134081473.db2.gz KWMYGCYCSGROED-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN Cc1nn(C)c2cc(Nc3ccc4nc[nH]c4c3)ccc12 ZINC001209847586 1134081561 /nfs/dbraw/zinc/08/15/61/1134081561.db2.gz CJNLOMOPMDXHCH-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN CCC(=O)c1ccc(Nc2ccc3nc[nH]c3c2)cc1 ZINC001209850624 1134083405 /nfs/dbraw/zinc/08/34/05/1134083405.db2.gz CUSFQRASABGRPR-UHFFFAOYSA-N 0 1 265.316 3.899 20 0 CHADMN Fc1ccc(F)c(Nc2ccc3nc[nH]c3c2)c1F ZINC001209848736 1134083631 /nfs/dbraw/zinc/08/36/31/1134083631.db2.gz PRGTZJNEDCEZHH-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN Cc1cc(Nc2ccc3nc[nH]c3c2)cnc1OC(C)C ZINC001209848395 1134083681 /nfs/dbraw/zinc/08/36/81/1134083681.db2.gz LARYRBLXQSRHBR-UHFFFAOYSA-N 0 1 282.347 3.797 20 0 CHADMN Cc1ccc(CCCO)c(Nc2ccc3nc[nH]c3c2)c1 ZINC001209851113 1134084350 /nfs/dbraw/zinc/08/43/50/1134084350.db2.gz HVMLNFHNTIRXSL-UHFFFAOYSA-N 0 1 281.359 3.540 20 0 CHADMN c1nc2ccc(Nc3ccc4sncc4c3)cc2[nH]1 ZINC001209848648 1134084659 /nfs/dbraw/zinc/08/46/59/1134084659.db2.gz ORRZLJKFVPIGRK-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN O=C1CCCc2cc(Nc3ccc4nc[nH]c4c3)ccc21 ZINC001209851035 1134084894 /nfs/dbraw/zinc/08/48/94/1134084894.db2.gz GBDXRTGDGOTMLJ-UHFFFAOYSA-N 0 1 277.327 3.826 20 0 CHADMN CCn1ncc2cc(Nc3ccc4nc[nH]c4c3)ccc21 ZINC001209852044 1134086271 /nfs/dbraw/zinc/08/62/71/1134086271.db2.gz SNNRQAFWCPLFEG-UHFFFAOYSA-N 0 1 277.331 3.676 20 0 CHADMN CC(=O)c1ccc(C)cc1Nc1ccc2nc[nH]c2c1 ZINC001209851982 1134087337 /nfs/dbraw/zinc/08/73/37/1134087337.db2.gz PKJAWXOJLMSXCY-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN C=Cc1cccc(Nc2cccc(N3CCN(C)CC3)c2)c1 ZINC001209919413 1134101552 /nfs/dbraw/zinc/10/15/52/1134101552.db2.gz UPBVBENKIVWOQC-UHFFFAOYSA-N 0 1 293.414 3.825 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(F)c(C(F)(F)F)c1 ZINC001209967893 1134111045 /nfs/dbraw/zinc/11/10/45/1134111045.db2.gz TWVRKRXMUYKTTR-UHFFFAOYSA-N 0 1 285.244 3.874 20 0 CHADMN Cc1cc(N)ncc1Nc1ccccc1Oc1cccnc1 ZINC001209966943 1134111092 /nfs/dbraw/zinc/11/10/92/1134111092.db2.gz KMGNNSMZENRRBF-UHFFFAOYSA-N 0 1 292.342 3.903 20 0 CHADMN COc1cc(Nc2cnc(N)cc2C)cc(C(F)(F)F)c1 ZINC001209968151 1134111197 /nfs/dbraw/zinc/11/11/97/1134111197.db2.gz WEZQCRGELYCTFB-UHFFFAOYSA-N 0 1 297.280 3.743 20 0 CHADMN Cc1cc(F)c(Nc2cnc(N)cc2C)cc1Cl ZINC001209969443 1134112521 /nfs/dbraw/zinc/11/25/21/1134112521.db2.gz OJFMDUYMSWTYRP-UHFFFAOYSA-N 0 1 265.719 3.817 20 0 CHADMN Cc1cc(N)ncc1Nc1c(F)cccc1OCC(C)C ZINC001209971115 1134112841 /nfs/dbraw/zinc/11/28/41/1134112841.db2.gz QLMDQUWQPMXTBB-UHFFFAOYSA-N 0 1 289.354 3.890 20 0 CHADMN COc1cc(Nc2cnc(N)cc2C)c(Cl)cc1C ZINC001209973146 1134113548 /nfs/dbraw/zinc/11/35/48/1134113548.db2.gz VXLKZTQPSCAMJO-UHFFFAOYSA-N 0 1 277.755 3.686 20 0 CHADMN Cc1cc(C)nc(Nc2ccc3c(c2)OCCCO3)c1 ZINC001209998463 1134119856 /nfs/dbraw/zinc/11/98/56/1134119856.db2.gz PVNKIAWGANKIDB-UHFFFAOYSA-N 0 1 270.332 3.603 20 0 CHADMN COc1nccc(Nc2cc3cn[nH]c3cc2C)c1Cl ZINC001210100593 1134145385 /nfs/dbraw/zinc/14/53/85/1134145385.db2.gz SZTKWZACNXDFEX-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2c1CCC2=O ZINC001210101189 1134145679 /nfs/dbraw/zinc/14/56/79/1134145679.db2.gz BBNLSXQJQNXVLV-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(Cl)ccc1N ZINC001210101238 1134145831 /nfs/dbraw/zinc/14/58/31/1134145831.db2.gz CBZXJBOHGASWEY-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2nn(C)cc21 ZINC001210101345 1134145887 /nfs/dbraw/zinc/14/58/87/1134145887.db2.gz DUEVOOQCWMFHRN-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN COc1cnc(Cl)c(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210101686 1134146677 /nfs/dbraw/zinc/14/66/77/1134146677.db2.gz JNEMUYLNRBADRR-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(C(F)F)cn1 ZINC001210102746 1134147361 /nfs/dbraw/zinc/14/73/61/1134147361.db2.gz SVAICXGCGUVXQR-UHFFFAOYSA-N 0 1 274.274 3.948 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1c(F)cccc1F ZINC001210103329 1134148000 /nfs/dbraw/zinc/14/80/00/1134148000.db2.gz YFLWKJWKLDEFBA-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1cc2[nH]ncc2cc1N1CCCc2ccc(N)cc21 ZINC001210105320 1134148228 /nfs/dbraw/zinc/14/82/28/1134148228.db2.gz WNAGRQLYEWBQFW-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2[nH]c(=O)ccc12 ZINC001210104847 1134148430 /nfs/dbraw/zinc/14/84/30/1134148430.db2.gz FJPJDAOSCOGOHE-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1c(F)c(F)ccc1Nc1ccnn1-c1ccncc1 ZINC001210128809 1134153248 /nfs/dbraw/zinc/15/32/48/1134153248.db2.gz KYFSBXSMKJCAKH-UHFFFAOYSA-N 0 1 286.285 3.598 20 0 CHADMN COc1cc(Nc2ccc(OC(F)F)cc2)ncc1C ZINC001210325666 1134193943 /nfs/dbraw/zinc/19/39/43/1134193943.db2.gz OJWHUJAPBDUERH-UHFFFAOYSA-N 0 1 280.274 3.744 20 0 CHADMN CS(=O)(=O)c1cc(F)ccc1N=C1CCCCCCC1 ZINC001210450359 1134217263 /nfs/dbraw/zinc/21/72/63/1134217263.db2.gz YNCXPVKUIHIUMK-UHFFFAOYSA-N 0 1 297.395 3.879 20 0 CHADMN Cc1cc(Cl)cc(-n2c(N)nc3ccccc32)c1 ZINC001210462685 1134221218 /nfs/dbraw/zinc/22/12/18/1134221218.db2.gz MIJLWYNHRNMXEK-UHFFFAOYSA-N 0 1 257.724 3.570 20 0 CHADMN COc1cc2ccccc2c(Nc2c(C)ncn2C)c1 ZINC001210588234 1134257163 /nfs/dbraw/zinc/25/71/63/1134257163.db2.gz RMFDQUAVLHCGDK-UHFFFAOYSA-N 0 1 267.332 3.634 20 0 CHADMN CCOc1cncc(Nc2cc(C)nc3ccccc32)c1 ZINC001210660341 1134270429 /nfs/dbraw/zinc/27/04/29/1134270429.db2.gz DTSQRCAJNNUHHJ-UHFFFAOYSA-N 0 1 279.343 3.502 20 0 CHADMN COc1ccc2nc(N)n(-c3cc4cc(F)ccc4o3)c2c1 ZINC001210725267 1134283535 /nfs/dbraw/zinc/28/35/35/1134283535.db2.gz SENWHDHLLGCKJY-UHFFFAOYSA-N 0 1 297.289 3.502 20 0 CHADMN c1cc(Nc2ccc3ccccc3n2)n(-c2ccncc2)n1 ZINC001210814433 1134302981 /nfs/dbraw/zinc/30/29/81/1134302981.db2.gz WXZRRQFOOFAJEG-UHFFFAOYSA-N 0 1 287.326 3.559 20 0 CHADMN Cc1cnc(Nc2cc(Cl)c(O)c(Cl)c2)cn1 ZINC001210922794 1134328231 /nfs/dbraw/zinc/32/82/31/1134328231.db2.gz CETYJRVERUWCIU-UHFFFAOYSA-N 0 1 270.119 3.541 20 0 CHADMN Cc1cnc(C)c(Nc2cc(Cl)c(O)c(Cl)c2)n1 ZINC001210922792 1134328592 /nfs/dbraw/zinc/32/85/92/1134328592.db2.gz CCVWFEZRMRZKGS-UHFFFAOYSA-N 0 1 284.146 3.849 20 0 CHADMN Oc1c(Cl)cc(Nc2noc3cnccc32)cc1Cl ZINC001210926353 1134330265 /nfs/dbraw/zinc/33/02/65/1134330265.db2.gz JHQJZGRILRHPAP-UHFFFAOYSA-N 0 1 296.113 3.979 20 0 CHADMN COC(=O)c1ccc(N=C(C)c2ccccc2)cc1 ZINC001210984900 1134343312 /nfs/dbraw/zinc/34/33/12/1134343312.db2.gz FDTSRILQACDBFB-UHFFFAOYSA-N 0 1 253.301 3.556 20 0 CHADMN CCOc1ccc(F)c(Nc2ccc3nccn3c2)c1 ZINC001211049756 1134355885 /nfs/dbraw/zinc/35/58/85/1134355885.db2.gz ALXDKKVKYYMFOR-UHFFFAOYSA-N 0 1 271.295 3.616 20 0 CHADMN C[NH2+]Cc1cccc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001211137309 1134378292 /nfs/dbraw/zinc/37/82/92/1134378292.db2.gz OYCVULFETMIRKU-UHFFFAOYSA-N 0 1 280.730 3.648 20 0 CHADMN CCOC(=O)c1cccc(Nc2cnc3cccc(C)n23)c1 ZINC001211204501 1134390106 /nfs/dbraw/zinc/39/01/06/1134390106.db2.gz KAUOGXNSTCDFAO-UHFFFAOYSA-N 0 1 295.342 3.563 20 0 CHADMN COc1ccccc1-c1cccc(Nc2cncn2C)c1 ZINC001211249070 1134398987 /nfs/dbraw/zinc/39/89/87/1134398987.db2.gz HNDDKZNFUGJPSE-UHFFFAOYSA-N 0 1 279.343 3.839 20 0 CHADMN COc1cnccc1Nc1cc(Cl)cc(Cl)c1OC ZINC001211265757 1134399861 /nfs/dbraw/zinc/39/98/61/1134399861.db2.gz SUPSVOIQDOKRIL-UHFFFAOYSA-N 0 1 299.157 3.571 20 0 CHADMN Cc1cc(Br)c(Nc2cncn2C)cc1C ZINC001211252724 1134400273 /nfs/dbraw/zinc/40/02/73/1134400273.db2.gz WXQFZNGCHNNHKI-UHFFFAOYSA-N 0 1 280.169 3.543 20 0 CHADMN CCCOc1ccccc1-n1c(N)nc2c1cccc2C ZINC001211378238 1134413411 /nfs/dbraw/zinc/41/34/11/1134413411.db2.gz HIVJGKWTIATALK-UHFFFAOYSA-N 0 1 281.359 3.705 20 0 CHADMN COc1ccc(Nc2ccc3[nH]c(C)nc3c2)c(C)c1 ZINC001213073077 1134420727 /nfs/dbraw/zinc/42/07/27/1134420727.db2.gz CMDAPWWBFAWFFV-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1nc2cc(Nc3ccc4c(c3)c(C)nn4C)ccc2[nH]1 ZINC001213075611 1134422821 /nfs/dbraw/zinc/42/28/21/1134422821.db2.gz XFOJRMDIVDNUQB-UHFFFAOYSA-N 0 1 291.358 3.810 20 0 CHADMN Cc1nc2ccc(N(C)c3cc(Cl)ccc3N)cc2[nH]1 ZINC001213075172 1134422918 /nfs/dbraw/zinc/42/29/18/1134422918.db2.gz HGWDTSOSONLJLH-UHFFFAOYSA-N 0 1 286.766 3.875 20 0 CHADMN Cc1nc2cc(Nc3c(N)cc(Cl)cc3F)ccc2[nH]1 ZINC001213076279 1134423418 /nfs/dbraw/zinc/42/34/18/1134423418.db2.gz ORQDLHDEXWPUSA-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN Cc1nc2ccc(Nc3c(N)cc(Cl)cc3F)cc2[nH]1 ZINC001213076279 1134423422 /nfs/dbraw/zinc/42/34/22/1134423422.db2.gz ORQDLHDEXWPUSA-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN CC(C)n1cnc(Nc2ccnc(C(C)(C)C)c2)c1 ZINC001213164572 1134433330 /nfs/dbraw/zinc/43/33/30/1134433330.db2.gz USIXKEXIXJDXIR-UHFFFAOYSA-N 0 1 258.369 3.900 20 0 CHADMN Fc1cc(Cl)ccc1-c1noc(-c2cc(Cl)[nH]n2)n1 ZINC001213500458 1134456786 /nfs/dbraw/zinc/45/67/86/1134456786.db2.gz IYPNHXNWMBDOSA-UHFFFAOYSA-N 0 1 299.092 3.573 20 0 CHADMN Cn1cncc1Nc1ccc(COc2ccccc2)cc1 ZINC001213617662 1134470436 /nfs/dbraw/zinc/47/04/36/1134470436.db2.gz QYAMEJBDOLNBLK-UHFFFAOYSA-N 0 1 279.343 3.743 20 0 CHADMN COc1ccc(C)c(F)c1Nc1noc(C(C)(C)C)n1 ZINC001214622327 1134558793 /nfs/dbraw/zinc/55/87/93/1134558793.db2.gz JBCOAFCDXUCOIG-UHFFFAOYSA-N 0 1 279.315 3.567 20 0 CHADMN CC(=O)c1cccc(Nc2ccc(Cl)c(O)c2F)n1 ZINC001214797817 1134573599 /nfs/dbraw/zinc/57/35/99/1134573599.db2.gz GDLFIZCHYPDCRW-UHFFFAOYSA-N 0 1 280.686 3.526 20 0 CHADMN Nc1ccc2ccn(-c3ccc(Cl)c(O)c3F)c2c1 ZINC001214799043 1134574931 /nfs/dbraw/zinc/57/49/31/1134574931.db2.gz JHIBBEIKRYTLPT-UHFFFAOYSA-N 0 1 276.698 3.711 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccc3nccnc3c2)c1F ZINC001214799570 1134574954 /nfs/dbraw/zinc/57/49/54/1134574954.db2.gz YQAWMEJSTZZRNW-UHFFFAOYSA-N 0 1 289.697 3.872 20 0 CHADMN Cn1cc2cc(Nc3ccc(Cl)c(O)c3F)ccc2n1 ZINC001214799195 1134575615 /nfs/dbraw/zinc/57/56/15/1134575615.db2.gz PTRYMTQKMFADCF-UHFFFAOYSA-N 0 1 291.713 3.815 20 0 CHADMN Nc1ccc(F)c(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214804678 1134576201 /nfs/dbraw/zinc/57/62/01/1134576201.db2.gz WXXBHVNMCLDLCY-UHFFFAOYSA-N 0 1 270.666 3.650 20 0 CHADMN OCc1cc(F)ccc1Nc1ccc(Cl)c(O)c1F ZINC001214804491 1134576273 /nfs/dbraw/zinc/57/62/73/1134576273.db2.gz UGFMYIOHNXIIHK-UHFFFAOYSA-N 0 1 285.677 3.560 20 0 CHADMN Cc1cc(Nc2ccnc(CO)c2)c(Cl)cc1Cl ZINC001215096873 1134597717 /nfs/dbraw/zinc/59/77/17/1134597717.db2.gz CPNKWUHXZGWBFE-UHFFFAOYSA-N 0 1 283.158 3.933 20 0 CHADMN FC(F)Oc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1 ZINC000401536904 1134615456 /nfs/dbraw/zinc/61/54/56/1134615456.db2.gz FRQZSFJQWAPOMY-LBPRGKRZSA-N 0 1 279.290 3.501 20 0 CHADMN CCCOc1cc(C)ccc1N[C@H]1CCCc2[nH]ncc21 ZINC000401621326 1134618137 /nfs/dbraw/zinc/61/81/37/1134618137.db2.gz WDXMDVHMQNILED-AWEZNQCLSA-N 0 1 285.391 3.996 20 0 CHADMN Cc1ccc(-c2noc(-c3c(F)cc(O)cc3F)n2)cc1 ZINC001215347729 1134619388 /nfs/dbraw/zinc/61/93/88/1134619388.db2.gz IUYCGFMAZMJBGD-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Oc1cc(F)c(-c2nc(-c3ccccc3F)no2)c(F)c1 ZINC001215347624 1134619406 /nfs/dbraw/zinc/61/94/06/1134619406.db2.gz FUPVRLGNJJDWPV-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN COc1ccc(Nc2cc3[nH]ncc3c(F)c2)c(Cl)n1 ZINC001215553687 1134639530 /nfs/dbraw/zinc/63/95/30/1134639530.db2.gz BYMZGNVDQNXAJP-UHFFFAOYSA-N 0 1 292.701 3.503 20 0 CHADMN CC(C)(C)c1nsc(Nc2cc3[nH]ncc3c(F)c2)n1 ZINC001215552728 1134639630 /nfs/dbraw/zinc/63/96/30/1134639630.db2.gz BGTNHCFKGWVXPV-UHFFFAOYSA-N 0 1 291.355 3.595 20 0 CHADMN Cc1cnc(Cl)c(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215552806 1134639658 /nfs/dbraw/zinc/63/96/58/1134639658.db2.gz FQRSQLAJXJNACZ-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Fc1cc(Nc2cccnc2C2CC2)cc2[nH]ncc21 ZINC001215553830 1134640085 /nfs/dbraw/zinc/64/00/85/1134640085.db2.gz JYNGQZGBKYLDEP-UHFFFAOYSA-N 0 1 268.295 3.718 20 0 CHADMN CN1CCCc2ccc(Nc3cc4[nH]ncc4c(F)c3)cc21 ZINC001215555317 1134640817 /nfs/dbraw/zinc/64/08/17/1134640817.db2.gz GSDKOSSUIXLJOI-UHFFFAOYSA-N 0 1 296.349 3.828 20 0 CHADMN Fc1cc(Nc2ccc3cnccc3c2)cc2[nH]ncc21 ZINC001215554921 1134641115 /nfs/dbraw/zinc/64/11/15/1134641115.db2.gz LMSAOIFWHJYTDT-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN COc1cc(C(C)=O)ccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555632 1134641134 /nfs/dbraw/zinc/64/11/34/1134641134.db2.gz KWTKKPWRYHBNPA-UHFFFAOYSA-N 0 1 299.305 3.657 20 0 CHADMN Cc1nc2c(cccc2Nc2cc3[nH]ncc3c(F)c2)o1 ZINC001215555384 1134641230 /nfs/dbraw/zinc/64/12/30/1134641230.db2.gz IRWIXXURBCJBBZ-UHFFFAOYSA-N 0 1 282.278 3.895 20 0 CHADMN Cc1cc(C)c(O)c(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215554744 1134641347 /nfs/dbraw/zinc/64/13/47/1134641347.db2.gz FWBKDYNKHDSWOK-UHFFFAOYSA-N 0 1 271.295 3.768 20 0 CHADMN Fc1cc(Nc2ccc3c(c2)OCCCO3)cc2[nH]ncc21 ZINC001215554755 1134641379 /nfs/dbraw/zinc/64/13/79/1134641379.db2.gz GOPLLHOHSSLBCC-UHFFFAOYSA-N 0 1 299.305 3.607 20 0 CHADMN CCc1ccc(Nc2cc3[nH]ncc3c(F)c2)c(O)c1 ZINC001215557245 1134642063 /nfs/dbraw/zinc/64/20/63/1134642063.db2.gz XUFCXOKUDSTLPF-UHFFFAOYSA-N 0 1 271.295 3.714 20 0 CHADMN CN(C)c1cccc(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215557130 1134642077 /nfs/dbraw/zinc/64/20/77/1134642077.db2.gz RFPFFQZVXWRFBH-UHFFFAOYSA-N 0 1 270.311 3.512 20 0 CHADMN CC(=O)c1cccc(Nc2cc3[nH]ncc3c(F)c2)c1C ZINC001215558293 1134642291 /nfs/dbraw/zinc/64/22/91/1134642291.db2.gz OBPKUSKJNAJPGT-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN CC(=O)c1ccc(F)c(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215556367 1134642335 /nfs/dbraw/zinc/64/23/35/1134642335.db2.gz BYWDFABOTBPSSN-UHFFFAOYSA-N 0 1 287.269 3.787 20 0 CHADMN Fc1cc(Nc2cnnc(Cl)c2Cl)cc2[nH]ncc21 ZINC001215556707 1134642783 /nfs/dbraw/zinc/64/27/83/1134642783.db2.gz YBICVBIVKIJXHI-UHFFFAOYSA-N 0 1 298.108 3.542 20 0 CHADMN C[NH+](C)CCc1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001215573809 1134644456 /nfs/dbraw/zinc/64/44/56/1134644456.db2.gz IUJFUBWRDNYLII-UHFFFAOYSA-N 0 1 292.329 3.518 20 0 CHADMN COCc1ccc(Cl)c(Nc2ccc3nccn3c2)c1 ZINC001215595408 1134649435 /nfs/dbraw/zinc/64/94/35/1134649435.db2.gz IGPFSCJNNKUJSS-UHFFFAOYSA-N 0 1 287.750 3.878 20 0 CHADMN Cc1ccc(Nc2ccc(Cl)cn2)c2cn[nH]c21 ZINC001215754629 1134673922 /nfs/dbraw/zinc/67/39/22/1134673922.db2.gz ZTRUCWPJSBEHON-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1cnn(CC2CCC2)c1Nc1ccc(C)c2[nH]ncc21 ZINC001215756709 1134674891 /nfs/dbraw/zinc/67/48/91/1134674891.db2.gz WWEGBRKKSQNOCR-UHFFFAOYSA-N 0 1 295.390 3.920 20 0 CHADMN Cc1ccc(Nc2cnc(Cl)cc2C)c2cn[nH]c21 ZINC001215755306 1134674948 /nfs/dbraw/zinc/67/49/48/1134674948.db2.gz OGVXJFNWCSOQQJ-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1ccc(Nc2ccc(C3OCCO3)cc2)c2cn[nH]c21 ZINC001215758347 1134675700 /nfs/dbraw/zinc/67/57/00/1134675700.db2.gz QLBBNMWUJFGMON-UHFFFAOYSA-N 0 1 295.342 3.660 20 0 CHADMN CCCc1ccnc(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215757199 1134675815 /nfs/dbraw/zinc/67/58/15/1134675815.db2.gz NWQBDEQJJSYFEC-UHFFFAOYSA-N 0 1 266.348 3.962 20 0 CHADMN Cc1ccc(Nc2c(N)cc(F)cc2Cl)c2cn[nH]c21 ZINC001215758689 1134675924 /nfs/dbraw/zinc/67/59/24/1134675924.db2.gz CKTHUSDJDPHXLG-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN Cc1ccc(Nc2c(F)cccc2F)c2cn[nH]c21 ZINC001215757683 1134676155 /nfs/dbraw/zinc/67/61/55/1134676155.db2.gz WBNOLCAMTVWMIP-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1cc(C)c(N)c(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215758208 1134676178 /nfs/dbraw/zinc/67/61/78/1134676178.db2.gz KFDHHRXTHHEVFW-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN Cc1ccc(Nc2ccc(N)cc2C)c2cn[nH]c21 ZINC001215758149 1134676235 /nfs/dbraw/zinc/67/62/35/1134676235.db2.gz GZCJAHZMNDAOII-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN Cc1c2ccc(Nc3ccc(C)c4[nH]ncc43)cc2nn1C ZINC001215758369 1134676567 /nfs/dbraw/zinc/67/65/67/1134676567.db2.gz RDKSVAJLVIAXGK-UHFFFAOYSA-N 0 1 291.358 3.810 20 0 CHADMN Cc1ccc(Nc2c(F)cc(O)cc2F)c2cn[nH]c21 ZINC001215759304 1134677510 /nfs/dbraw/zinc/67/75/10/1134677510.db2.gz KDAIAKHLQZLNEB-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1ccc(Nc2cccc3[nH]c(=O)ccc23)c2cn[nH]c21 ZINC001215759278 1134677614 /nfs/dbraw/zinc/67/76/14/1134677614.db2.gz JUTZDDXKTPDLJU-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1ccc(Nc2ccc(C3(C)COC3)cc2)c2cn[nH]c21 ZINC001215760363 1134678888 /nfs/dbraw/zinc/67/88/88/1134678888.db2.gz MMTUBKAPMTXQBG-UHFFFAOYSA-N 0 1 293.370 3.903 20 0 CHADMN OCc1c(F)cccc1Nc1cc(Cl)cc2[nH]ncc21 ZINC001215860447 1134705607 /nfs/dbraw/zinc/70/56/07/1134705607.db2.gz BOYOAPXNCTXSDO-UHFFFAOYSA-N 0 1 291.713 3.591 20 0 CHADMN Oc1ccc(Nc2cc(Cl)cc3[nH]ncc32)cc1F ZINC001215859663 1134705897 /nfs/dbraw/zinc/70/58/97/1134705897.db2.gz QPLXIYRXRXRNSP-UHFFFAOYSA-N 0 1 277.686 3.805 20 0 CHADMN Cc1nnc(Nc2ccc(C(F)(F)F)cc2Cl)o1 ZINC001215970687 1134736835 /nfs/dbraw/zinc/73/68/35/1134736835.db2.gz XEUOBTDZPAIYKL-UHFFFAOYSA-N 0 1 277.633 3.794 20 0 CHADMN COc1cc(Nc2ccc(N(C)C)c(Cl)c2)ncc1C ZINC001216061004 1134765245 /nfs/dbraw/zinc/76/52/45/1134765245.db2.gz PKVQUMZTUGCTOQ-UHFFFAOYSA-N 0 1 291.782 3.862 20 0 CHADMN CSc1cc(-n2cnc(C)c2N)ccc1C(F)(F)F ZINC001216211478 1134808213 /nfs/dbraw/zinc/80/82/13/1134808213.db2.gz BQIUBKOROORKHS-UHFFFAOYSA-N 0 1 287.310 3.504 20 0 CHADMN CC(C)c1cc(Nc2cccc(CN(C)C)c2F)on1 ZINC001216226964 1134812666 /nfs/dbraw/zinc/81/26/66/1134812666.db2.gz JGXHGHOEKHSSPX-UHFFFAOYSA-N 0 1 277.343 3.742 20 0 CHADMN CN(C)Cc1cccc(Nc2cc(F)ccc2F)c1F ZINC001216228735 1134812779 /nfs/dbraw/zinc/81/27/79/1134812779.db2.gz PNAMPAIVHUVFIA-UHFFFAOYSA-N 0 1 280.293 3.909 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc(C(F)F)nc2)c1F ZINC001216227702 1134813763 /nfs/dbraw/zinc/81/37/63/1134813763.db2.gz FYTWOBAULOHRFW-UHFFFAOYSA-N 0 1 295.308 3.964 20 0 CHADMN CN(C)Cc1cccc(Nc2cccc(F)c2)c1F ZINC001216230756 1134814413 /nfs/dbraw/zinc/81/44/13/1134814413.db2.gz BISVRGWEZVBPMR-UHFFFAOYSA-N 0 1 262.303 3.770 20 0 CHADMN C[C@H](O)c1ccc(Nc2cccc(CN(C)C)c2F)cc1 ZINC001216231064 1134814999 /nfs/dbraw/zinc/81/49/99/1134814999.db2.gz QAKZXUHGAUVJCR-LBPRGKRZSA-N 0 1 288.366 3.684 20 0 CHADMN CN(C)Cc1cccc(Nc2cccc3cn(C)nc32)c1F ZINC001216231231 1134815805 /nfs/dbraw/zinc/81/58/05/1134815805.db2.gz DKGHTQVVTNXLII-UHFFFAOYSA-N 0 1 298.365 3.518 20 0 CHADMN CNc1cccc(C)c1Nc1cccc(CN(C)C)c1F ZINC001216232500 1134816597 /nfs/dbraw/zinc/81/65/97/1134816597.db2.gz XQMZUMLZNWVZAU-UHFFFAOYSA-N 0 1 287.382 3.981 20 0 CHADMN COc1cc(Nc2ccc3nccn3c2)ccc1OC(C)C ZINC001216245686 1134823780 /nfs/dbraw/zinc/82/37/80/1134823780.db2.gz XNOQSPYBZBTAQU-UHFFFAOYSA-N 0 1 297.358 3.874 20 0 CHADMN Cc1cccc2ncc(Nc3cc(Cl)cc(CO)c3)n21 ZINC001216435199 1134897087 /nfs/dbraw/zinc/89/70/87/1134897087.db2.gz PKLJJDPAVSIKQW-UHFFFAOYSA-N 0 1 287.750 3.532 20 0 CHADMN CCOc1ccc(Cl)cc1Nc1c(C)ncn1C ZINC001216447755 1134901116 /nfs/dbraw/zinc/90/11/16/1134901116.db2.gz UHLQGSYGGQAKQQ-UHFFFAOYSA-N 0 1 265.744 3.524 20 0 CHADMN CCc1ccc(Nc2cncn2Cc2ccccc2)cn1 ZINC001216551197 1134918301 /nfs/dbraw/zinc/91/83/01/1134918301.db2.gz YJFRUOUVEWYQCN-UHFFFAOYSA-N 0 1 278.359 3.632 20 0 CHADMN COc1ccc(F)cc1Nc1cncn1Cc1ccccc1 ZINC001216553712 1134919572 /nfs/dbraw/zinc/91/95/72/1134919572.db2.gz UCELSDXVGXKINS-UHFFFAOYSA-N 0 1 297.333 3.823 20 0 CHADMN COc1cc(Nc2ccc3onc(C)c3c2)ncc1C ZINC001216640214 1134937628 /nfs/dbraw/zinc/93/76/28/1134937628.db2.gz LPOVWIZRCDOXDN-UHFFFAOYSA-N 0 1 269.304 3.592 20 0 CHADMN COC(C)(C)CN(C)Cc1cc2ccccc2nc1Cl ZINC000404367952 1134944956 /nfs/dbraw/zinc/94/49/56/1134944956.db2.gz SHDUCTFSPXJIJL-UHFFFAOYSA-N 0 1 292.810 3.745 20 0 CHADMN Fc1cccc(-c2noc(-c3cnc4[nH]cccc3-4)n2)c1F ZINC001217145289 1134965119 /nfs/dbraw/zinc/96/51/19/1134965119.db2.gz FWNUZYLKAREKLY-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN CC(C)c1ccc(-c2noc(-c3coc4c3CNC4)n2)cc1 ZINC001217206517 1134969230 /nfs/dbraw/zinc/96/92/30/1134969230.db2.gz XRYWVRKLGOLAHF-UHFFFAOYSA-N 0 1 295.342 3.723 20 0 CHADMN Fc1ccc(-c2noc(-c3n[nH]c4c3cccc4F)n2)cc1 ZINC001217323068 1134971827 /nfs/dbraw/zinc/97/18/27/1134971827.db2.gz OPTQDEXYKMJHFX-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN Clc1ccnc(CN2CCC3(CCC3)CC2)c1 ZINC000308731995 1134978967 /nfs/dbraw/zinc/97/89/67/1134978967.db2.gz AJWFMCHJWACYCR-UHFFFAOYSA-N 0 1 250.773 3.501 20 0 CHADMN Cc1cccc(-c2noc(-c3cccc4cncn43)n2)c1C ZINC001217589435 1134985082 /nfs/dbraw/zinc/98/50/82/1134985082.db2.gz RHSSCQMEPGQVJC-UHFFFAOYSA-N 0 1 290.326 3.668 20 0 CHADMN Cc1cc(C)cc(-c2noc(-c3cccc4cncn43)n2)c1 ZINC001217589606 1134985510 /nfs/dbraw/zinc/98/55/10/1134985510.db2.gz VTHJLTHRVIHRIO-UHFFFAOYSA-N 0 1 290.326 3.668 20 0 CHADMN Cc1cc(Cl)ccc1-c1nnc([C@H]2CC[C@@H](C)CN2)o1 ZINC001217702722 1134987162 /nfs/dbraw/zinc/98/71/62/1134987162.db2.gz NAIDXTWWVCHLEB-NOZJJQNGSA-N 0 1 291.782 3.759 20 0 CHADMN Cc1cc(Cl)ccc1-c1nnc([C@H]2NCCC[C@@H]2C)o1 ZINC001217701980 1134988244 /nfs/dbraw/zinc/98/82/44/1134988244.db2.gz HGVCAZJNNKXJKT-ZANVPECISA-N 0 1 291.782 3.759 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H]2c2nnc([C@H]3NCCC[C@H]3C)o2)cc1 ZINC001217701896 1134988428 /nfs/dbraw/zinc/98/84/28/1134988428.db2.gz GWDDHJBGXODSOP-OEAJRASXSA-N 0 1 297.402 3.710 20 0 CHADMN CC[C@H](C)[C@H](NC)c1nnc(Cc2cccc(Cl)c2)o1 ZINC001217722693 1134991219 /nfs/dbraw/zinc/99/12/19/1134991219.db2.gz AWWHQBQXWQMBQI-HZMBPMFUSA-N 0 1 293.798 3.620 20 0 CHADMN CN[C@H](c1nnc(-c2ccc(C(F)(F)F)cc2)o1)C(C)C ZINC001217727875 1134991822 /nfs/dbraw/zinc/99/18/22/1134991822.db2.gz UKPCBBUXJFCPQP-NSHDSACASA-N 0 1 299.296 3.672 20 0 CHADMN CC(C)C[C@@](C)(N)c1nnc(-c2ccc(Cl)cc2)o1 ZINC001217733169 1134992152 /nfs/dbraw/zinc/99/21/52/1134992152.db2.gz MGUVTYUXRWACMF-CQSZACIVSA-N 0 1 279.771 3.610 20 0 CHADMN CN[C@H](c1nnc([C@H]2C[C@@H]2c2ccc(C)cc2)o1)C(C)C ZINC001217726870 1134992276 /nfs/dbraw/zinc/99/22/76/1134992276.db2.gz KAWFBMMNHBUXJK-ILXRZTDVSA-N 0 1 285.391 3.566 20 0 CHADMN Cc1ccc([C@@H]2C[C@H]2c2nnc([C@](C)(N)CC(C)C)o2)cc1 ZINC001217732592 1134992954 /nfs/dbraw/zinc/99/29/54/1134992954.db2.gz DUDXKKNGBXONLY-HDMKZQKVSA-N 0 1 299.418 3.869 20 0 CHADMN CN[C@H](c1nnc([C@@H]2C[C@H]2c2ccc(C)cc2)o1)C(C)(C)C ZINC001217736726 1134993301 /nfs/dbraw/zinc/99/33/01/1134993301.db2.gz MXDFBWFOMKELRZ-RRFJBIMHSA-N 0 1 299.418 3.956 20 0 CHADMN CCCCC[C@H](NC)c1nnc(-c2ccccc2)o1 ZINC001217756357 1134994968 /nfs/dbraw/zinc/99/49/68/1134994968.db2.gz MGJGIXIKXFYSPQ-ZDUSSCGKSA-N 0 1 259.353 3.577 20 0 CHADMN C[C@H]1CC(OCc2cccc3nc[nH]c32)C[C@H](C)C1 ZINC001217859576 1135010464 /nfs/dbraw/zinc/01/04/64/1135010464.db2.gz HNDABHXXMDGEDN-VXGBXAGGSA-N 0 1 258.365 3.904 20 0 CHADMN Cc1ccc(OC[C@H](C)OCc2cccc3nc[nH]c32)cc1 ZINC001217890115 1135017391 /nfs/dbraw/zinc/01/73/91/1135017391.db2.gz DWPCSTJZOWHOBL-AWEZNQCLSA-N 0 1 296.370 3.855 20 0 CHADMN CCCC[C@@H](Oc1n[nH]c2c1CNCC2)C1CCCCC1 ZINC001218352936 1135092369 /nfs/dbraw/zinc/09/23/69/1135092369.db2.gz OGKMXGWFSNFBPK-MRXNPFEDSA-N 0 1 291.439 3.573 20 0 CHADMN CCCC[C@H](Oc1n[nH]c2c1CNCC2)C1CCCCC1 ZINC001218352934 1135092743 /nfs/dbraw/zinc/09/27/43/1135092743.db2.gz OGKMXGWFSNFBPK-INIZCTEOSA-N 0 1 291.439 3.573 20 0 CHADMN CCCCC[C@H](Oc1cnc(CN)nc1)c1ccccc1 ZINC001218358313 1135094483 /nfs/dbraw/zinc/09/44/83/1135094483.db2.gz VYUVIPQRIFNKKO-INIZCTEOSA-N 0 1 285.391 3.636 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)[C@H]2NCc3ccccc32)cc1 ZINC001218808702 1135120302 /nfs/dbraw/zinc/12/03/02/1135120302.db2.gz JFWGPZFRTWILDB-UGSOOPFHSA-N 0 1 294.398 3.983 20 0 CHADMN CN[C@H](C(=O)Nc1cccc(C(C)(C)C)c1)c1ccccc1 ZINC001218900273 1135122437 /nfs/dbraw/zinc/12/24/37/1135122437.db2.gz HFVCHWPQHNDKNC-KRWDZBQOSA-N 0 1 296.414 3.883 20 0 CHADMN [O-]c1cccc(C[NH2+]CC2CCCCC2)c1Br ZINC000315885768 1135162780 /nfs/dbraw/zinc/16/27/80/1135162780.db2.gz MGGXXFDAPBFLRJ-UHFFFAOYSA-N 0 1 298.224 3.825 20 0 CHADMN C[C@H](N[C@@H](C)c1cccnc1)c1cnn(-c2ccccc2)c1 ZINC000316864848 1135169641 /nfs/dbraw/zinc/16/96/41/1135169641.db2.gz PKDHCGDREFQTOE-GJZGRUSLSA-N 0 1 292.386 3.679 20 0 CHADMN FC(F)(F)Oc1cccc(-c2cccc3[nH]nnc32)c1 ZINC001222327189 1135226903 /nfs/dbraw/zinc/22/69/03/1135226903.db2.gz JJRVAAFPDPPVCV-UHFFFAOYSA-N 0 1 279.221 3.524 20 0 CHADMN OCc1c(Cl)ccc(-c2cc3nc[nH]c3cc2F)c1F ZINC001222366474 1135232514 /nfs/dbraw/zinc/23/25/14/1135232514.db2.gz QQZYKMCTHZZCLG-UHFFFAOYSA-N 0 1 294.688 3.654 20 0 CHADMN C[C@H](OCc1cnc[nH]1)c1cc2ccccc2s1 ZINC001222999361 1135293258 /nfs/dbraw/zinc/29/32/58/1135293258.db2.gz ACBMVEODTNLAGA-JTQLQIEISA-N 0 1 258.346 3.902 20 0 CHADMN C[C@H](OCc1cnc[nH]1)c1ccccc1OC(F)(F)F ZINC001223007654 1135293835 /nfs/dbraw/zinc/29/38/35/1135293835.db2.gz NDAHAGPVXIHENL-VIFPVBQESA-N 0 1 286.253 3.586 20 0 CHADMN Cc1ccc(Cl)cc1[C@H](C)OCc1cnc[nH]1 ZINC001223000926 1135294433 /nfs/dbraw/zinc/29/44/33/1135294433.db2.gz SMOLPKPNXSARAS-JTQLQIEISA-N 0 1 250.729 3.649 20 0 CHADMN FC(F)(F)c1ccc2c(c1)CC[C@@H]2OCc1cnc[nH]1 ZINC001223007057 1135294473 /nfs/dbraw/zinc/29/44/73/1135294473.db2.gz FDAQAPRDYDNVOY-ZDUSSCGKSA-N 0 1 282.265 3.633 20 0 CHADMN C[C@@H](OCc1cnc[nH]1)c1cccc(OC(F)(F)F)c1 ZINC001223007703 1135294559 /nfs/dbraw/zinc/29/45/59/1135294559.db2.gz OOTBYMZDGLVSOX-SECBINFHSA-N 0 1 286.253 3.586 20 0 CHADMN FCCN1CCC(OCc2cccc3ccsc32)CC1 ZINC001224030326 1135412878 /nfs/dbraw/zinc/41/28/78/1135412878.db2.gz OOCRYOWPEYFEAX-UHFFFAOYSA-N 0 1 293.407 3.852 20 0 CHADMN C[C@@H](CCOC1CN(C(C)(C)C)C1)c1ccccc1 ZINC001224996017 1135499841 /nfs/dbraw/zinc/49/98/41/1135499841.db2.gz ALXPFWHXUCDGSL-AWEZNQCLSA-N 0 1 261.409 3.680 20 0 CHADMN Clc1ccccc1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001225204951 1135513589 /nfs/dbraw/zinc/51/35/89/1135513589.db2.gz SQXIUACPLKJQAF-OAHLLOKOSA-N 0 1 287.790 3.993 20 0 CHADMN CC(C)[N@H+]1CC[C@@H](Oc2cccc(Cl)c2Cl)C1 ZINC001225207382 1135514113 /nfs/dbraw/zinc/51/41/13/1135514113.db2.gz PWKXTKDFRNYDCJ-SNVBAGLBSA-N 0 1 274.191 3.855 20 0 CHADMN Cc1ccccc1O[C@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001225216895 1135516389 /nfs/dbraw/zinc/51/63/89/1135516389.db2.gz OKZNFRSYWMLTPE-SJORKVTESA-N 0 1 296.414 3.994 20 0 CHADMN Fc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC001225315374 1135541689 /nfs/dbraw/zinc/54/16/89/1135541689.db2.gz PPHONYIHNGGPHT-HNNXBMFYSA-N 0 1 289.325 3.618 20 0 CHADMN CC(=O)c1ccc2ccccc2c1O[C@@H]1CCCN(C)C1 ZINC001226034256 1135655626 /nfs/dbraw/zinc/65/56/26/1135655626.db2.gz RUWJHXMBXPHZGY-OAHLLOKOSA-N 0 1 283.371 3.515 20 0 CHADMN Clc1ccc2c(c1)CC[C@H]2Oc1n[nH]c2ncccc12 ZINC001226301619 1135682025 /nfs/dbraw/zinc/68/20/25/1135682025.db2.gz CJZHJMLHEPKCIW-CYBMUJFWSA-N 0 1 285.734 3.678 20 0 CHADMN CC[C@@H](Oc1n[nH]c2ncccc12)c1ccccc1F ZINC001226304620 1135682925 /nfs/dbraw/zinc/68/29/25/1135682925.db2.gz DKDRFIWVZZGCSZ-CYBMUJFWSA-N 0 1 271.295 3.627 20 0 CHADMN C[C@H](Oc1nccc(=O)[nH]1)c1c(Cl)cccc1Cl ZINC001226326230 1135685081 /nfs/dbraw/zinc/68/50/81/1135685081.db2.gz IWLVYLHNFMURNX-ZETCQYMHSA-N 0 1 285.130 3.629 20 0 CHADMN C[C@@H](Oc1nccc(=O)[nH]1)c1ccc(Cl)cc1Cl ZINC001226324816 1135685222 /nfs/dbraw/zinc/68/52/22/1135685222.db2.gz VEPXCXLXWLATMW-SSDOTTSWSA-N 0 1 285.130 3.629 20 0 CHADMN C[C@H]1CCCC[C@H]1Oc1cc(N)nc2ccccc21 ZINC001226420414 1135694871 /nfs/dbraw/zinc/69/48/71/1135694871.db2.gz ZVJOCNDJXSJYMF-SMDDNHRTSA-N 0 1 256.349 3.775 20 0 CHADMN CC[C@@H](Oc1nc(C)[nH]c(=O)c1F)c1cccc(F)c1C ZINC001226423128 1135695405 /nfs/dbraw/zinc/69/54/05/1135695405.db2.gz FDQVZLDATYMUHA-GFCCVEGCSA-N 0 1 294.301 3.607 20 0 CHADMN Cc1ccc2nc(O[C@@H](C(C)C)C(F)(F)F)[nH]c2c1 ZINC001226506627 1135704875 /nfs/dbraw/zinc/70/48/75/1135704875.db2.gz PVPGVZKFBREIKJ-NSHDSACASA-N 0 1 272.270 3.837 20 0 CHADMN Cc1ccc2nc(O[C@@H](c3cccnc3)C3CC3)[nH]c2c1 ZINC001226508645 1135705715 /nfs/dbraw/zinc/70/57/15/1135705715.db2.gz MCQHXGXSOCJIAN-MRXNPFEDSA-N 0 1 279.343 3.796 20 0 CHADMN CC(C)(C)N1CC(Oc2ccc(F)c3ccccc23)C1 ZINC001226550472 1135711608 /nfs/dbraw/zinc/71/16/08/1135711608.db2.gz SBSRYLYFEGBYED-UHFFFAOYSA-N 0 1 273.351 3.840 20 0 CHADMN C[C@@H](Oc1nc2ccc(F)cc2[nH]1)c1ccccc1F ZINC001226702254 1135731499 /nfs/dbraw/zinc/73/14/99/1135731499.db2.gz YFMPJLXDTDYCOF-SECBINFHSA-N 0 1 274.270 3.981 20 0 CHADMN C[C@H](Oc1ccc2nc[nH]c2c1)c1ccccc1F ZINC001226928797 1135761679 /nfs/dbraw/zinc/76/16/79/1135761679.db2.gz RQZCLISEUBKYQI-JTQLQIEISA-N 0 1 256.280 3.842 20 0 CHADMN COc1ccc2c(c1)CC[C@@H](Oc1ccc3nc[nH]c3c1)C2 ZINC001226929541 1135762500 /nfs/dbraw/zinc/76/25/00/1135762500.db2.gz HZTPEOPKKBIDRC-OAHLLOKOSA-N 0 1 294.354 3.508 20 0 CHADMN C[C@@H](Oc1ccc2nc[nH]c2c1)c1cccnc1Cl ZINC001226929159 1135762688 /nfs/dbraw/zinc/76/26/88/1135762688.db2.gz ZZBHKXCTFMAUIK-SECBINFHSA-N 0 1 273.723 3.751 20 0 CHADMN Cc1cccc(O)c1O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001227138109 1135790382 /nfs/dbraw/zinc/79/03/82/1135790382.db2.gz WDJIXNRUBQKVII-KRWDZBQOSA-N 0 1 297.398 3.744 20 0 CHADMN Cc1cccc2nc(O[C@@H]3CCCc4cccnc43)[nH]c21 ZINC001227273411 1135813700 /nfs/dbraw/zinc/81/37/00/1135813700.db2.gz XPXDFMNRBANLHP-CQSZACIVSA-N 0 1 279.343 3.723 20 0 CHADMN Cc1cccc2nc(O[C@H]3CCc4ccccc43)[nH]c21 ZINC001227273675 1135813752 /nfs/dbraw/zinc/81/37/52/1135813752.db2.gz ZAJURHVOCNOLOW-HNNXBMFYSA-N 0 1 264.328 3.938 20 0 CHADMN Cc1cccc2nc(OC3CC(C)(C)OC(C)(C)C3)[nH]c21 ZINC001227269020 1135814131 /nfs/dbraw/zinc/81/41/31/1135814131.db2.gz YOKXXZRHXJOEGV-UHFFFAOYSA-N 0 1 288.391 3.986 20 0 CHADMN CC(C)[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2Cl)C1 ZINC001227511307 1135841460 /nfs/dbraw/zinc/84/14/60/1135841460.db2.gz GXAQAGNEEZUPOW-LLVKDONJSA-N 0 1 274.191 3.855 20 0 CHADMN C[C@H](Oc1ncnc2nc[nH]c21)c1ccc2ccccc2c1 ZINC001227531196 1135843568 /nfs/dbraw/zinc/84/35/68/1135843568.db2.gz PBVPGQZWEQZCFH-NSHDSACASA-N 0 1 290.326 3.646 20 0 CHADMN CC[NH+](CC)C[C@H](C)Oc1cc(Cl)c([O-])cc1Cl ZINC001227641514 1135852683 /nfs/dbraw/zinc/85/26/83/1135852683.db2.gz OPTRWRFJPXTFRX-VIFPVBQESA-N 0 1 292.206 3.808 20 0 CHADMN Cc1cc(CN2CCO[C@H](C(C)(C)C)C2)c(C)s1 ZINC000447832569 260137519 /nfs/dbraw/zinc/13/75/19/260137519.db2.gz GRQGSMCTMVMKBX-AWEZNQCLSA-N 0 1 267.438 3.612 20 0 CHADMN CC[C@@]1(C)CCN([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000344278541 529527750 /nfs/dbraw/zinc/52/77/50/529527750.db2.gz VERJSISEOWGUQH-QAPCUYQASA-N 0 1 288.435 3.752 20 0 CHADMN CCn1ccnc1CN1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000347599811 529569217 /nfs/dbraw/zinc/56/92/17/529569217.db2.gz MKHRQEFPOHFZKS-KGLIPLIRSA-N 0 1 263.429 3.550 20 0 CHADMN CC[C@H](NCCO[C@@H]1CCCC[C@H]1C)c1nccs1 ZINC000347920049 529604043 /nfs/dbraw/zinc/60/40/43/529604043.db2.gz NVKRGPBUAFJCHA-HZSPNIEDSA-N 0 1 282.453 3.779 20 0 CHADMN CC[C@H](NCc1cc(C)ccc1F)c1c(C)nn(C)c1C ZINC000344760340 529623900 /nfs/dbraw/zinc/62/39/00/529623900.db2.gz NDCGFOSXXOVIKT-INIZCTEOSA-N 0 1 289.398 3.725 20 0 CHADMN CCc1ccc(CN2CCSC3(CCCCC3)C2)cn1 ZINC000347857920 529641103 /nfs/dbraw/zinc/64/11/03/529641103.db2.gz PDYFSKPQSDBDLL-UHFFFAOYSA-N 0 1 290.476 3.896 20 0 CHADMN CCc1ccc(CNCc2ccccc2OC2CCC2)cn1 ZINC000352761278 529653670 /nfs/dbraw/zinc/65/36/70/529653670.db2.gz VHJBOGMTZSVHNJ-UHFFFAOYSA-N 0 1 296.414 3.865 20 0 CHADMN CCc1ccc(CN(C)Cc2cccc(C)c2)cn1 ZINC000347654413 529635828 /nfs/dbraw/zinc/63/58/28/529635828.db2.gz SFVVMCLIPDHEHG-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN CCc1ccc(CN(CCC(F)(F)F)CC2CC2)cn1 ZINC000347923524 529637286 /nfs/dbraw/zinc/63/72/86/529637286.db2.gz UQGGAWNPQCSWIY-UHFFFAOYSA-N 0 1 286.341 3.808 20 0 CHADMN CCc1nc(CSc2cc(Cl)ccc2Cl)n[nH]1 ZINC000344739406 529741542 /nfs/dbraw/zinc/74/15/42/529741542.db2.gz VSXBTSWYERTKLK-UHFFFAOYSA-N 0 1 288.203 3.966 20 0 CHADMN CN(CCC1CC1)Cc1cscc1Br ZINC000347906727 529876480 /nfs/dbraw/zinc/87/64/80/529876480.db2.gz DVOJTSPDCQEKNB-UHFFFAOYSA-N 0 1 274.227 3.743 20 0 CHADMN CN(CC[C@@H]1CCCCO1)Cc1ccc(F)cc1Cl ZINC000347466513 529930726 /nfs/dbraw/zinc/93/07/26/529930726.db2.gz PJKCFZMCZSDOKA-AWEZNQCLSA-N 0 1 285.790 3.870 20 0 CHADMN CN(CC[C@H]1CCCCO1)Cc1nc2ccccc2s1 ZINC000347396604 529931938 /nfs/dbraw/zinc/93/19/38/529931938.db2.gz VTKLXLYWTFRRQA-CYBMUJFWSA-N 0 1 290.432 3.687 20 0 CHADMN CN(Cc1cc2ccccc2o1)C1(C(N)=O)CCCC1 ZINC000331807071 529980965 /nfs/dbraw/zinc/98/09/65/529980965.db2.gz UAPHSLLPDBLYMH-UHFFFAOYSA-N 0 1 272.348 3.713 20 0 CHADMN CN(Cc1ccccc1)Cc1cc(F)c(F)c(F)c1 ZINC000347674119 530000213 /nfs/dbraw/zinc/00/02/13/530000213.db2.gz KYJIBKNJWCIYEW-UHFFFAOYSA-N 0 1 265.278 3.736 20 0 CHADMN CN(Cc1cccc(-c2ccncc2)c1)Cc1ccccn1 ZINC000350396848 529992585 /nfs/dbraw/zinc/99/25/85/529992585.db2.gz XJWSXHWLEFGWOT-UHFFFAOYSA-N 0 1 289.382 3.776 20 0 CHADMN CN(Cc1nc(C2CC2)no1)C1CCC(C(C)(C)C)CC1 ZINC000353444975 530022232 /nfs/dbraw/zinc/02/22/32/530022232.db2.gz VTXROXOHGUPJIM-UHFFFAOYSA-N 0 1 291.439 3.984 20 0 CHADMN CN(Cc1cscc1C(F)(F)F)C[C@@H]1CCCCO1 ZINC000356097095 530019961 /nfs/dbraw/zinc/01/99/61/530019961.db2.gz ZNJQOIXUONPUSA-NSHDSACASA-N 0 1 293.354 3.768 20 0 CHADMN Cc1ccc(F)c(CN2CCC(F)(F)[C@H](C)C2)c1 ZINC000518095790 260342030 /nfs/dbraw/zinc/34/20/30/260342030.db2.gz KQFMJNUNKTURCM-LLVKDONJSA-N 0 1 257.299 3.611 20 0 CHADMN Cc1cc(CNCc2ccc3c(n2)CCCC3)c(C)s1 ZINC000515201971 370693437 /nfs/dbraw/zinc/69/34/37/370693437.db2.gz DIAUOVQFMPEVCJ-UHFFFAOYSA-N 0 1 286.444 3.929 20 0 CHADMN CC(C)N(Cc1ccn(-c2ccccc2F)n1)C1CCC1 ZINC000574266011 335004930 /nfs/dbraw/zinc/00/49/30/335004930.db2.gz GZLGSHMPZPNTGL-UHFFFAOYSA-N 0 1 287.382 3.774 20 0 CHADMN CC(C)=CCC[C@H](C)CCNCc1cc(C)on1 ZINC000574341467 335012456 /nfs/dbraw/zinc/01/24/56/335012456.db2.gz BPNMTBNTMYUMLT-ZDUSSCGKSA-N 0 1 250.386 3.845 20 0 CHADMN O=C([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000574406166 335017173 /nfs/dbraw/zinc/01/71/73/335017173.db2.gz IQYUVGAFGGUGSZ-NHYWBVRUSA-N 0 1 293.794 3.803 20 0 CHADMN CC(C)C1CCC(N(C)Cc2cn(C(C)C)nn2)CC1 ZINC000574486379 335023566 /nfs/dbraw/zinc/02/35/66/335023566.db2.gz CBURFBBGCRCJNA-UHFFFAOYSA-N 0 1 278.444 3.506 20 0 CHADMN CC[C@@H](CN(CC)Cc1nnc(C2CC2)o1)c1ccccc1 ZINC000574499346 335023983 /nfs/dbraw/zinc/02/39/83/335023983.db2.gz JVRBNIWQQVEOBP-AWEZNQCLSA-N 0 1 299.418 3.963 20 0 CHADMN Cc1nsc(C)c1CN(C)CCCOc1ccccc1 ZINC000574592044 335032664 /nfs/dbraw/zinc/03/26/64/335032664.db2.gz JKKLOZBDGJCKFD-UHFFFAOYSA-N 0 1 290.432 3.661 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@H]2CCC(C)=C(C)C2)c1 ZINC000574641864 335036395 /nfs/dbraw/zinc/03/63/95/335036395.db2.gz XBEUKBKBDYBKQI-AWEZNQCLSA-N 0 1 287.359 3.670 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(C(C)(C)C)on2)CC1 ZINC000576670150 335232902 /nfs/dbraw/zinc/23/29/02/335232902.db2.gz IVZZLDDNSNSXSS-GFCCVEGCSA-N 0 1 250.386 3.594 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000574697661 335040693 /nfs/dbraw/zinc/04/06/93/335040693.db2.gz WWXZOGUMBIUBBE-MRXNPFEDSA-N 0 1 287.359 3.869 20 0 CHADMN CSc1ccc(CN[C@H](C)c2cccnc2)s1 ZINC000352844026 532959100 /nfs/dbraw/zinc/95/91/00/532959100.db2.gz DTVYYZRFIGGMBJ-SNVBAGLBSA-N 0 1 264.419 3.716 20 0 CHADMN CSc1ccc(CN[C@@H]2COCc3ccccc32)s1 ZINC000418100894 532959189 /nfs/dbraw/zinc/95/91/89/532959189.db2.gz FKJQMZXHNVIPKW-CQSZACIVSA-N 0 1 291.441 3.831 20 0 CHADMN CC(C)CCOCCNCc1ccsc1Cl ZINC000390191976 262152967 /nfs/dbraw/zinc/15/29/67/262152967.db2.gz NWBSDWYQEILJLX-UHFFFAOYSA-N 0 1 261.818 3.554 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2cc3cccnc3o2)n1 ZINC000580515529 335063220 /nfs/dbraw/zinc/06/32/20/335063220.db2.gz KNRHMOQTZLWNDR-QGZVFWFLSA-N 0 1 293.370 3.868 20 0 CHADMN COc1ccc2nc(SCCCc3ccncc3)[nH]c2c1 ZINC000344758193 533354334 /nfs/dbraw/zinc/35/43/34/533354334.db2.gz BKUYZPBHPFHFFQ-UHFFFAOYSA-N 0 1 299.399 3.691 20 0 CHADMN CO[C@@H](C)CN(C)[C@@H](C)c1cccc(Cl)c1F ZINC000353252061 533330203 /nfs/dbraw/zinc/33/02/03/533330203.db2.gz GZJZTUKSJWLYBK-UWVGGRQHSA-N 0 1 259.752 3.507 20 0 CHADMN C[C@@H](NCc1ccc2occc2c1)c1ccccn1 ZINC000352246776 533451859 /nfs/dbraw/zinc/45/18/59/533451859.db2.gz SESAOQKVQCJCJO-GFCCVEGCSA-N 0 1 252.317 3.679 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1ccc2cc[nH]c2n1 ZINC000353624764 533411160 /nfs/dbraw/zinc/41/11/60/533411160.db2.gz DOVFLQUBVGXJRM-CYBMUJFWSA-N 0 1 295.386 3.731 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000353799735 533591767 /nfs/dbraw/zinc/59/17/67/533591767.db2.gz AAOLTNXONSALSJ-VXGBXAGGSA-N 0 1 298.521 3.841 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N1CCC[C@@H](C)CC1 ZINC000341834572 130066545 /nfs/dbraw/zinc/06/65/45/130066545.db2.gz LEFTYOQMWUBQHB-ZIAGYGMSSA-N 0 1 285.391 3.920 20 0 CHADMN C(C1CCC1)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000341881477 130107347 /nfs/dbraw/zinc/10/73/47/130107347.db2.gz RFNWIGRUJOISCN-CQSZACIVSA-N 0 1 275.396 3.664 20 0 CHADMN CN(CCCCCF)Cc1nc2c(s1)CCCC2 ZINC000341882342 130108329 /nfs/dbraw/zinc/10/83/29/130108329.db2.gz LBANTCWCJJLQHW-UHFFFAOYSA-N 0 1 270.417 3.594 20 0 CHADMN Fc1cccc(Cl)c1CNc1ncnc2ccsc21 ZINC000341931953 130160990 /nfs/dbraw/zinc/16/09/90/130160990.db2.gz SFRNSDYNOOKNDQ-UHFFFAOYSA-N 0 1 293.754 3.518 20 0 CHADMN C[C@@H](c1cccnc1)N1CCC(CC(F)(F)F)CC1 ZINC000341996166 130188835 /nfs/dbraw/zinc/18/88/35/130188835.db2.gz SIJOLUPCCWYOFQ-NSHDSACASA-N 0 1 272.314 3.807 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)cc1Cl ZINC000342011878 130197969 /nfs/dbraw/zinc/19/79/69/130197969.db2.gz DYHFYMJIKNLKKL-CABCVRRESA-N 0 1 283.774 3.623 20 0 CHADMN CCN(CC1CCC1)[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000342129924 130289516 /nfs/dbraw/zinc/28/95/16/130289516.db2.gz OPBZLFGRMOCCKT-ZDUSSCGKSA-N 0 1 285.391 3.920 20 0 CHADMN CN[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000007386594 170281772 /nfs/dbraw/zinc/28/17/72/170281772.db2.gz OBBPSEJRYUIVKK-OAHLLOKOSA-N 0 1 288.778 3.548 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1[C@H](C)CCC[C@@H]1C ZINC000009997646 170393985 /nfs/dbraw/zinc/39/39/85/170393985.db2.gz BLJXORDHZUNQCK-GASCZTMLSA-N 0 1 288.435 3.759 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000020095308 170994660 /nfs/dbraw/zinc/99/46/60/170994660.db2.gz VMBAHMOXVURCPL-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccccn2)cc1 ZINC000020123402 171003867 /nfs/dbraw/zinc/00/38/67/171003867.db2.gz GBYJDWHKTMNWIP-QWHCGFSZSA-N 0 1 256.349 3.502 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1cccnc1 ZINC000020127741 171013712 /nfs/dbraw/zinc/01/37/12/171013712.db2.gz BGUZDIPVFIYRCB-WDEREUQCSA-N 0 1 262.303 3.772 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)N[C@@H](C)c1cccnc1 ZINC000020127799 171013937 /nfs/dbraw/zinc/01/39/37/171013937.db2.gz FNWQUIINKLGAMF-UONOGXRCSA-N 0 1 270.376 3.810 20 0 CHADMN C[C@H](N[C@@H](c1ccco1)c1ccccc1)[C@@H]1CCCO1 ZINC000020207455 171072149 /nfs/dbraw/zinc/07/21/49/171072149.db2.gz BVPBSTIQSBFLOH-JLJPHGGASA-N 0 1 271.360 3.526 20 0 CHADMN FC(F)(F)c1cccc(CNCc2ccco2)c1 ZINC000020437051 171202396 /nfs/dbraw/zinc/20/23/96/171202396.db2.gz CKJJCWVAGBWFSE-UHFFFAOYSA-N 0 1 255.239 3.588 20 0 CHADMN O=C(Nc1cc(F)cc(F)c1)c1cc(Cl)ccc1O ZINC000020548530 171245810 /nfs/dbraw/zinc/24/58/10/171245810.db2.gz FRVRBHNCPAKNHJ-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN C[C@H](NCc1ccc2ncccc2c1)c1ccco1 ZINC000035136967 172004187 /nfs/dbraw/zinc/00/41/87/172004187.db2.gz SOHKZYIBMXPIDS-LBPRGKRZSA-N 0 1 252.317 3.679 20 0 CHADMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1cc(C(=O)[O-])c(C)o1)C1CC1 ZINC000576761416 335244895 /nfs/dbraw/zinc/24/48/95/335244895.db2.gz LMRODRAOAMOJOX-GHMZBOCLSA-N 0 1 279.380 3.685 20 0 CHADMN Brc1cc(CNCc2ccccc2)cs1 ZINC000035251237 172081547 /nfs/dbraw/zinc/08/15/47/172081547.db2.gz JOJULFXKWHRRKI-UHFFFAOYSA-N 0 1 282.206 3.800 20 0 CHADMN CCN[C@H](c1ccco1)c1ccc(Br)cc1 ZINC000035538770 172245009 /nfs/dbraw/zinc/24/50/09/172245009.db2.gz RUFQJSWZSODEEH-ZDUSSCGKSA-N 0 1 280.165 3.741 20 0 CHADMN Cc1[nH]ncc1CNc1ccc(SC(F)F)cc1 ZINC000036919603 172804519 /nfs/dbraw/zinc/80/45/19/172804519.db2.gz RSPVXJDQLZTOOL-UHFFFAOYSA-N 0 1 269.320 3.645 20 0 CHADMN COc1ccc([C@H](C)NCc2ccccc2)c(F)c1 ZINC000037187704 173018599 /nfs/dbraw/zinc/01/85/99/173018599.db2.gz WFNBYQQBVYQLQJ-LBPRGKRZSA-N 0 1 259.324 3.685 20 0 CHADMN CCOC[C@H](C)N[C@H](C)c1sccc1Br ZINC000044691771 175233904 /nfs/dbraw/zinc/23/39/04/175233904.db2.gz CBMQZYZVFYRXHC-DTWKUNHWSA-N 0 1 292.242 3.586 20 0 CHADMN Cc1cc([C@@H](C)NCc2scnc2C)c(C)o1 ZINC000071212641 176084258 /nfs/dbraw/zinc/08/42/58/176084258.db2.gz LNERCOGBWZFSIM-SECBINFHSA-N 0 1 250.367 3.512 20 0 CHADMN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2nccn2Cc2ccccc2)C1 ZINC000355078874 227377282 /nfs/dbraw/zinc/37/72/82/227377282.db2.gz BQKHVMJDXHGVRD-IKGGRYGDSA-N 0 1 297.446 3.798 20 0 CHADMN OCC[C@H](NCc1cc2ccccc2o1)c1ccccc1 ZINC000344451977 225063241 /nfs/dbraw/zinc/06/32/41/225063241.db2.gz AUBDTTAKSABHLC-KRWDZBQOSA-N 0 1 281.355 3.646 20 0 CHADMN CO[C@H](CNCc1ccc(Cl)o1)c1ccc(F)cc1 ZINC000344743274 225146781 /nfs/dbraw/zinc/14/67/81/225146781.db2.gz RMOZLDFDVVJTPR-CYBMUJFWSA-N 0 1 283.730 3.549 20 0 CHADMN CO[C@@H](CNCc1ccc(Cl)o1)c1ccc(F)cc1 ZINC000344743277 225147138 /nfs/dbraw/zinc/14/71/38/225147138.db2.gz RMOZLDFDVVJTPR-ZDUSSCGKSA-N 0 1 283.730 3.549 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(Cl)cc2C)n1 ZINC000344463197 225065806 /nfs/dbraw/zinc/06/58/06/225065806.db2.gz NAEYONRWQVXJNK-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN COCc1nc(CN[C@@H](C)CCC2CCCC2)cs1 ZINC000344550849 225106912 /nfs/dbraw/zinc/10/69/12/225106912.db2.gz CGJMIDQNVIVIGG-LBPRGKRZSA-N 0 1 282.453 3.738 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)[C@@H]1C(=O)[O-] ZINC000334642052 225233109 /nfs/dbraw/zinc/23/31/09/225233109.db2.gz ARQDRGYGKFXENR-GUYCJALGSA-N 0 1 283.371 3.525 20 0 CHADMN Cc1cnn(-c2ccncc2NCc2ccc(C)c(F)c2)c1 ZINC000345007108 225226550 /nfs/dbraw/zinc/22/65/50/225226550.db2.gz DOEIDABAPZAKDU-UHFFFAOYSA-N 0 1 296.349 3.635 20 0 CHADMN Cc1ccnc([C@H](C)N[C@H]2CCCc3c(O)cccc32)c1 ZINC000334760497 225310745 /nfs/dbraw/zinc/31/07/45/225310745.db2.gz LPFMKSSXTRVLTC-BBRMVZONSA-N 0 1 282.387 3.824 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000334764621 225314162 /nfs/dbraw/zinc/31/41/62/225314162.db2.gz VHNYSLYHOZCYOH-MRXNPFEDSA-N 0 1 292.329 3.737 20 0 CHADMN CCN(Cc1cnn(C)c1)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000171654481 335073338 /nfs/dbraw/zinc/07/33/38/335073338.db2.gz PXVHXVFKBISWCX-LLVKDONJSA-N 0 1 295.789 3.796 20 0 CHADMN Cc1ccc([C@@H]2CCCCCN2Cc2ccc(C)nn2)o1 ZINC000334881456 225373302 /nfs/dbraw/zinc/37/33/02/225373302.db2.gz XDGPTVYMUPRORY-INIZCTEOSA-N 0 1 285.391 3.804 20 0 CHADMN Cc1ccccc1[C@@H](C)c1noc(C23CCCN2CCC3)n1 ZINC000334973591 225380042 /nfs/dbraw/zinc/38/00/42/225380042.db2.gz RPBMHNBSSBGYHX-CQSZACIVSA-N 0 1 297.402 3.615 20 0 CHADMN Fc1cncc(CN[C@H]2CCSc3c(F)cccc32)c1 ZINC000334846899 225335221 /nfs/dbraw/zinc/33/52/21/225335221.db2.gz FSNALZMBYIKUSS-AWEZNQCLSA-N 0 1 292.354 3.687 20 0 CHADMN Cc1nccc(N2CCc3cc(F)ccc3C2)c1Cl ZINC000355087964 227386860 /nfs/dbraw/zinc/38/68/60/227386860.db2.gz ANSGEGYWSCUSDM-UHFFFAOYSA-N 0 1 276.742 3.745 20 0 CHADMN COc1ccncc1CN[C@@H]1c2ccccc2CCC1(C)C ZINC000346962054 225970247 /nfs/dbraw/zinc/97/02/47/225970247.db2.gz LVGLCMHNGMOVBI-GOSISDBHSA-N 0 1 296.414 3.894 20 0 CHADMN COc1ccncc1CN[C@@H](C)c1ccc2ncsc2c1 ZINC000347221923 226091575 /nfs/dbraw/zinc/09/15/75/226091575.db2.gz JJNPRKPFERKQHZ-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN Cc1cccc(CN2CCC[C@@H]2c2ccc(F)cc2)n1 ZINC000347383455 226141279 /nfs/dbraw/zinc/14/12/79/226141279.db2.gz LPOFKALDWQYNPL-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccccc1[C@@H](C(C)C)N(C)Cc1n[nH]c(C2CC2)n1 ZINC000347492013 226168040 /nfs/dbraw/zinc/16/80/40/226168040.db2.gz WUIIJZYBNADIEC-QGZVFWFLSA-N 0 1 298.434 3.820 20 0 CHADMN Fc1ccc(CN2CCC[C@@H](c3ccncc3)C2)c(F)c1 ZINC000347734383 226233923 /nfs/dbraw/zinc/23/39/23/226233923.db2.gz PMDKFVGBCZGHBD-CQSZACIVSA-N 0 1 288.341 3.739 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc(CC)nc2)cc1 ZINC000347689185 226235157 /nfs/dbraw/zinc/23/51/57/226235157.db2.gz WICOSXHNZGHWMZ-UHFFFAOYSA-N 0 1 284.403 3.675 20 0 CHADMN Cc1cc(C(=O)CN2CCC[C@@H]2c2ccc(C)cc2)c(C)[nH]1 ZINC000347998817 226395351 /nfs/dbraw/zinc/39/53/51/226395351.db2.gz NUPXYTYAVUGNDS-GOSISDBHSA-N 0 1 296.414 3.960 20 0 CHADMN Cc1ncccc1CNCc1ccc(-c2ccccc2)o1 ZINC000348797158 226518540 /nfs/dbraw/zinc/51/85/40/226518540.db2.gz OWXQHGHRBALAPO-UHFFFAOYSA-N 0 1 278.355 3.940 20 0 CHADMN CCCN(Cc1coc(-c2ccc(F)cc2)n1)C1CC1 ZINC000171679936 335074326 /nfs/dbraw/zinc/07/43/26/335074326.db2.gz WCDGGQLTLRHKDW-UHFFFAOYSA-N 0 1 274.339 3.855 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc3n[nH]cc3c2)o1 ZINC000353976208 227013813 /nfs/dbraw/zinc/01/38/13/227013813.db2.gz WZOJUMLVAVVUCQ-VXGBXAGGSA-N 0 1 269.348 3.876 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3sccc3Cl)ccc12 ZINC000354562562 227034514 /nfs/dbraw/zinc/03/45/14/227034514.db2.gz OYWPVULVXFYUBA-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN c1nc(-c2ccccc2)[nH]c1CNc1ccc2c(c1)COC2 ZINC000350683578 227054948 /nfs/dbraw/zinc/05/49/48/227054948.db2.gz SWMDNHLSCBGINX-UHFFFAOYSA-N 0 1 291.354 3.719 20 0 CHADMN O=C(CCN1CCC=C(c2ccco2)C1)c1ccc(F)cc1 ZINC000352570925 227071368 /nfs/dbraw/zinc/07/13/68/227071368.db2.gz NUWRTPZMMUKMEI-UHFFFAOYSA-N 0 1 299.345 3.781 20 0 CHADMN Cc1[nH]ncc1CNc1cccc(Oc2ccccn2)c1 ZINC000354745131 227087250 /nfs/dbraw/zinc/08/72/50/227087250.db2.gz DQSPKNVQRIFFGX-UHFFFAOYSA-N 0 1 280.331 3.518 20 0 CHADMN COCC1(C)CCN(Cc2cccc(Cl)c2F)CC1 ZINC000354757155 227091921 /nfs/dbraw/zinc/09/19/21/227091921.db2.gz CDZKBRVMMYGIBO-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1csc2c1CCCC2 ZINC000352620010 227117386 /nfs/dbraw/zinc/11/73/86/227117386.db2.gz YQGZUXYTVKGUSV-UHFFFAOYSA-N 0 1 297.383 3.756 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCc3cncc(C)c3)n2)cc1 ZINC000442913990 227134167 /nfs/dbraw/zinc/13/41/67/227134167.db2.gz KPVSZSXDSNPARX-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN COC[C@@H](NCc1ccc2occc2c1)c1ccccc1 ZINC000352726231 227192348 /nfs/dbraw/zinc/19/23/48/227192348.db2.gz SFHNCEPTSVGCHJ-QGZVFWFLSA-N 0 1 281.355 3.910 20 0 CHADMN C[C@@H]1C[C@@H](CN(Cc2ccco2)Cc2ccco2)CCO1 ZINC000352743453 227204085 /nfs/dbraw/zinc/20/40/85/227204085.db2.gz IBSXTUXZOCOKSA-CABCVRRESA-N 0 1 289.375 3.690 20 0 CHADMN Cc1cccc(NCCc2c[nH]c3cc(F)ccc23)n1 ZINC000354897173 227215161 /nfs/dbraw/zinc/21/51/61/227215161.db2.gz RKTBSWXYZSBLTK-UHFFFAOYSA-N 0 1 269.323 3.665 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](C)N[C@@H](C)c1ccnn1C ZINC000192729413 227283384 /nfs/dbraw/zinc/28/33/84/227283384.db2.gz JFJHKXLSZXFHLV-QWHCGFSZSA-N 0 1 283.375 3.887 20 0 CHADMN Cc1nn2c(CN3[C@@H](C)CC[C@@H]3C)c(C(C)C)nc2s1 ZINC000354991723 227293580 /nfs/dbraw/zinc/29/35/80/227293580.db2.gz IARVTPILNOHDLS-QWRGUYRKSA-N 0 1 292.452 3.595 20 0 CHADMN Cc1nc(C2(NCC3CCCCC3)CCCCC2)no1 ZINC000329158338 227332591 /nfs/dbraw/zinc/33/25/91/227332591.db2.gz DMOUTBMGDKRZTL-UHFFFAOYSA-N 0 1 277.412 3.707 20 0 CHADMN Cc1nccc(N2CCc3c(F)cccc3C2)c1Cl ZINC000355098750 227394687 /nfs/dbraw/zinc/39/46/87/227394687.db2.gz SNIUAXPPGBHTDS-UHFFFAOYSA-N 0 1 276.742 3.745 20 0 CHADMN CCc1nnc(CN[C@H](C)C[C@@H](C)CC(C)C)s1 ZINC000353550930 228119137 /nfs/dbraw/zinc/11/91/37/228119137.db2.gz STQYCRFTUQAIFT-NWDGAFQWSA-N 0 1 269.458 3.651 20 0 CHADMN Cc1sc2ncnc(N[C@H]3CCCc4cn[nH]c43)c2c1C ZINC000330127703 228045706 /nfs/dbraw/zinc/04/57/06/228045706.db2.gz DGXNFXBOTQMDGU-NSHDSACASA-N 0 1 299.403 3.521 20 0 CHADMN CO[C@@H](CNCc1ncc(C(C)(C)C)s1)CC(C)C ZINC000418099103 228047814 /nfs/dbraw/zinc/04/78/14/228047814.db2.gz PGKHTVWBMJXWEC-GFCCVEGCSA-N 0 1 284.469 3.591 20 0 CHADMN Cc1cccc(CN[C@@H]2COCc3ccccc32)c1C ZINC000418100369 228049656 /nfs/dbraw/zinc/04/96/56/228049656.db2.gz PKKREEGBZUPHLL-GOSISDBHSA-N 0 1 267.372 3.665 20 0 CHADMN C[C@H](CC(C)(C)C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000355945999 228061189 /nfs/dbraw/zinc/06/11/89/228061189.db2.gz TZIRPAQXANLNDV-SNVBAGLBSA-N 0 1 259.353 3.574 20 0 CHADMN C[C@H](NCc1cncs1)c1cc2cccc(F)c2o1 ZINC000353236083 228072976 /nfs/dbraw/zinc/07/29/76/228072976.db2.gz KSXIZUWYSUIWHB-VIFPVBQESA-N 0 1 276.336 3.879 20 0 CHADMN Cc1nocc1CN(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000353569625 228123494 /nfs/dbraw/zinc/12/34/94/228123494.db2.gz OJHDNXOZMWQVLT-NEPJUHHUSA-N 0 1 276.302 3.536 20 0 CHADMN CCn1cc([C@@H](C)N[C@@H]2CCc3sc(Cl)cc32)cn1 ZINC000353570777 228123577 /nfs/dbraw/zinc/12/35/77/228123577.db2.gz GAGMCQXRMUTKNT-BXKDBHETSA-N 0 1 295.839 3.956 20 0 CHADMN Oc1cc(CN2CC[C@@H](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000356138621 228136928 /nfs/dbraw/zinc/13/69/28/228136928.db2.gz RHRMZPVBWKIRAG-GFCCVEGCSA-N 0 1 285.309 3.643 20 0 CHADMN c1cc2ccc(CN[C@@H](c3cccnc3)C3CCC3)nc2[nH]1 ZINC000353639751 228137163 /nfs/dbraw/zinc/13/71/63/228137163.db2.gz FFDJSEPVOVWVGA-QGZVFWFLSA-N 0 1 292.386 3.589 20 0 CHADMN Fc1ccc(CN2CCC3(CCC3)C2)cc1Cl ZINC000353693749 228145623 /nfs/dbraw/zinc/14/56/23/228145623.db2.gz XTVYRNRTUDMFOB-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN Fc1cc(CN2CCC[C@@]3(CCCOC3)C2)ccc1Cl ZINC000353748528 228150480 /nfs/dbraw/zinc/15/04/80/228150480.db2.gz QLBMBHZFZGUGNW-MRXNPFEDSA-N 0 1 297.801 3.872 20 0 CHADMN Cc1cc(-c2nnc(CN3CCC[C@@H](C)[C@H]3C)o2)c(C)o1 ZINC000336190007 228209023 /nfs/dbraw/zinc/20/90/23/228209023.db2.gz RVQAHKRKGGDVNQ-ZYHUDNBSSA-N 0 1 289.379 3.567 20 0 CHADMN C[C@H](c1ccccc1)N(Cc1ccn(C)n1)CC1CCC1 ZINC000353822378 228156361 /nfs/dbraw/zinc/15/63/61/228156361.db2.gz VSDVRNCNWVILRX-OAHLLOKOSA-N 0 1 283.419 3.783 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cc4[nH]ccc4s3)cc2[nH]1 ZINC000353872900 228161169 /nfs/dbraw/zinc/16/11/69/228161169.db2.gz AWLDUVLYIHOLNQ-UHFFFAOYSA-N 0 1 296.355 3.666 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@H]3CCCCC3(F)F)cc2[nH]1 ZINC000332649764 228164516 /nfs/dbraw/zinc/16/45/16/228164516.db2.gz UHUSPOSQBSXZSA-LLVKDONJSA-N 0 1 293.317 3.635 20 0 CHADMN C[C@H](F)CCNC(C)(C)c1nc(C(F)(F)F)cs1 ZINC000351987320 228171272 /nfs/dbraw/zinc/17/12/72/228171272.db2.gz TZGCBEQLRXRFFQ-ZETCQYMHSA-N 0 1 284.322 3.735 20 0 CHADMN Cc1ncc(CN2CC[C@@H](C)[C@@H]2c2cccc(F)c2)cn1 ZINC000352002107 228173166 /nfs/dbraw/zinc/17/31/66/228173166.db2.gz FAPYIVMDCJMZAN-SJKOYZFVSA-N 0 1 285.366 3.507 20 0 CHADMN C[C@H](F)CCN1CC=C(c2c(F)cccc2F)CC1 ZINC000351997052 228173197 /nfs/dbraw/zinc/17/31/97/228173197.db2.gz WMOFZBISUCBNCR-NSHDSACASA-N 0 1 269.310 3.802 20 0 CHADMN Oc1cc(F)cc(CN(Cc2ccccc2)C2CC2)c1 ZINC000351996188 228173216 /nfs/dbraw/zinc/17/32/16/228173216.db2.gz NBWSISPBKKRRNQ-UHFFFAOYSA-N 0 1 271.335 3.696 20 0 CHADMN Cc1cncc([C@H](C)N[C@H]2CSc3ccccc32)c1 ZINC000336048588 228182557 /nfs/dbraw/zinc/18/25/57/228182557.db2.gz SLSRWUZTWZKLKB-WFASDCNBSA-N 0 1 270.401 3.888 20 0 CHADMN Fc1ccc2c(c1)CCC[C@@H]2NCc1cncc(F)c1 ZINC000336103487 228188540 /nfs/dbraw/zinc/18/85/40/228188540.db2.gz KAPMUAJLHQJHNA-INIZCTEOSA-N 0 1 274.314 3.527 20 0 CHADMN Cc1ccnc(CN2CCC[C@](C)(c3ccccc3)CC2)n1 ZINC000352209808 228199583 /nfs/dbraw/zinc/19/95/83/228199583.db2.gz CYBDHZWBFNLGAV-IBGZPJMESA-N 0 1 295.430 3.729 20 0 CHADMN NC1(c2noc([C@H]3C[C@H]3C3CCCCC3)n2)CCCCC1 ZINC000333585900 228205697 /nfs/dbraw/zinc/20/56/97/228205697.db2.gz OMGVTMCQCSSVSH-KBPBESRZSA-N 0 1 289.423 3.872 20 0 CHADMN C[C@]1(c2ccccc2)C[C@@H]1c1nc(C2(N)CCCCC2)no1 ZINC000333625130 228207342 /nfs/dbraw/zinc/20/73/42/228207342.db2.gz UXRVLXNAXLBODO-RHSMWYFYSA-N 0 1 297.402 3.633 20 0 CHADMN CCN(CC(=O)c1cc(C)n(CC)c1C)C1CCCC1 ZINC000037337619 260093254 /nfs/dbraw/zinc/09/32/54/260093254.db2.gz HJCZZUHPLLLOII-UHFFFAOYSA-N 0 1 276.424 3.572 20 0 CHADMN C[C@H]1CN(Cc2ccccc2OC2CCCC2)CCCO1 ZINC000179394479 260045279 /nfs/dbraw/zinc/04/52/79/260045279.db2.gz UCLVNZJKHFFWFN-HNNXBMFYSA-N 0 1 289.419 3.619 20 0 CHADMN Cc1c([C@H](C)N[C@@H](C)c2ccccc2Cl)cnn1C ZINC000037167554 260072629 /nfs/dbraw/zinc/07/26/29/260072629.db2.gz XQFJNFSOXLSYQJ-QWRGUYRKSA-N 0 1 277.799 3.794 20 0 CHADMN CCOC(=O)c1ccc(CN(C)[C@@H]2CCc3ccccc32)o1 ZINC000179909004 260079699 /nfs/dbraw/zinc/07/96/99/260079699.db2.gz WLUBKUZUYKWQSH-MRXNPFEDSA-N 0 1 299.370 3.576 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccccc2OC)cc1F ZINC000037493514 260112165 /nfs/dbraw/zinc/11/21/65/260112165.db2.gz UJHMFMCDZWCFPU-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN COCc1ccccc1CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000037500107 260113521 /nfs/dbraw/zinc/11/35/21/260113521.db2.gz KPZVPNWNWRARLN-GUYCJALGSA-N 0 1 285.387 3.839 20 0 CHADMN CC[C@@H](NCc1cnc(C)s1)c1ccccc1OC ZINC000037505593 260113628 /nfs/dbraw/zinc/11/36/28/260113628.db2.gz IEWJBTWCAJECJG-CQSZACIVSA-N 0 1 276.405 3.701 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2cnc(C)s2)cc1 ZINC000037505490 260113699 /nfs/dbraw/zinc/11/36/99/260113699.db2.gz DZNLKTHJWNFUHG-LLVKDONJSA-N 0 1 276.405 3.701 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2ccc(OC)c(F)c2)s1 ZINC000037924409 260120514 /nfs/dbraw/zinc/12/05/14/260120514.db2.gz ZAEHDARPJSOZEU-JTQLQIEISA-N 0 1 294.395 3.704 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCC[C@H](C)CC1 ZINC000070158204 260152943 /nfs/dbraw/zinc/15/29/43/260152943.db2.gz BCZZVMXLWXZKGG-AWEZNQCLSA-N 0 1 289.419 3.910 20 0 CHADMN CC[C@@H](NC(=O)c1n[nH]c2ccccc21)c1cccs1 ZINC000070287266 260155800 /nfs/dbraw/zinc/15/58/00/260155800.db2.gz ZFJGQJJMPUBDNH-LLVKDONJSA-N 0 1 285.372 3.506 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1nccn1C)c1ccc(F)cc1 ZINC000070444086 260157332 /nfs/dbraw/zinc/15/73/32/260157332.db2.gz KMSMLYOKFRBXFC-DOMZBBRYSA-N 0 1 275.371 3.607 20 0 CHADMN CC(C)C[C@@H](N[C@H](C)c1nccn1C)c1ccccc1 ZINC000070444329 260157606 /nfs/dbraw/zinc/15/76/06/260157606.db2.gz VZLPWCTYXXKMHE-GDBMZVCRSA-N 0 1 271.408 3.858 20 0 CHADMN CCC[C@@H](N[C@H](C)c1nccn1C)c1ccccc1 ZINC000070444427 260157875 /nfs/dbraw/zinc/15/78/75/260157875.db2.gz BTYGWDHJSFGCOM-UKRRQHHQSA-N 0 1 257.381 3.612 20 0 CHADMN CC(C)C[C@H](N[C@H](C)c1nccn1C)c1ccccc1 ZINC000070444328 260157883 /nfs/dbraw/zinc/15/78/83/260157883.db2.gz VZLPWCTYXXKMHE-ZBFHGGJFSA-N 0 1 271.408 3.858 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1sc(C)nc1C ZINC000076865443 260166583 /nfs/dbraw/zinc/16/65/83/260166583.db2.gz GJMMSVGTOROIPB-NSHDSACASA-N 0 1 290.432 3.928 20 0 CHADMN CC[C@H](NCc1cccc2cccnc21)c1nccs1 ZINC000078004113 260167778 /nfs/dbraw/zinc/16/77/78/260167778.db2.gz AGCQRIXDLPTMLV-AWEZNQCLSA-N 0 1 283.400 3.932 20 0 CHADMN Cc1nc(C)c(CN[C@H](C)c2cc(F)ccc2F)s1 ZINC000080693176 260181473 /nfs/dbraw/zinc/18/14/73/260181473.db2.gz BDFUWANDUJGPRE-MRVPVSSYSA-N 0 1 282.359 3.889 20 0 CHADMN C[C@H](NCc1ccc(CO)o1)c1cccc(C(F)(F)F)c1 ZINC000081554900 260182719 /nfs/dbraw/zinc/18/27/19/260182719.db2.gz CLEBGWBHUHKDNI-JTQLQIEISA-N 0 1 299.292 3.642 20 0 CHADMN C[C@@]1(NCc2cc(Cl)sc2Cl)CCCOC1 ZINC000312622903 260184429 /nfs/dbraw/zinc/18/44/29/260184429.db2.gz LPUSOTCALRODSF-LLVKDONJSA-N 0 1 280.220 3.714 20 0 CHADMN CO[C@H]([C@@H](C)NCc1cc(Cl)sc1Cl)C1CC1 ZINC000312629737 260185521 /nfs/dbraw/zinc/18/55/21/260185521.db2.gz RQYPYUJKVZWFMM-RDDDGLTNSA-N 0 1 294.247 3.958 20 0 CHADMN C[C@@H]1C[C@H](NCc2cc3c(s2)CCCC3)c2nccn21 ZINC000517510020 260190171 /nfs/dbraw/zinc/19/01/71/260190171.db2.gz XGZOLWGRYKJLPQ-RISCZKNCSA-N 0 1 287.432 3.619 20 0 CHADMN C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809638 260209956 /nfs/dbraw/zinc/20/99/56/260209956.db2.gz IJIZDLQOQSPPFW-VXGBXAGGSA-N 0 1 297.345 3.603 20 0 CHADMN CC(C)(O)CN(Cc1cc(Cl)ccc1Cl)C1CC1 ZINC000426767807 260221431 /nfs/dbraw/zinc/22/14/31/260221431.db2.gz QVHUVIQUJUOGCB-UHFFFAOYSA-N 0 1 288.218 3.729 20 0 CHADMN CC[C@H](NCc1cc(OC)cc(C)n1)c1ccccc1 ZINC000214096577 260230809 /nfs/dbraw/zinc/23/08/09/260230809.db2.gz PNYGAZTVDMCCIP-KRWDZBQOSA-N 0 1 270.376 3.640 20 0 CHADMN COC[C@@H](N[C@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000089668371 260237087 /nfs/dbraw/zinc/23/70/87/260237087.db2.gz ZOHMWORGIHKCFB-CXAGYDPISA-N 0 1 273.351 3.864 20 0 CHADMN COC[C@H](N[C@H](C)c1cccc(F)c1)c1ccccc1 ZINC000089668859 260237678 /nfs/dbraw/zinc/23/76/78/260237678.db2.gz ZGUFEWMDCLRJER-DYVFJYSZSA-N 0 1 273.351 3.864 20 0 CHADMN CC(=O)Nc1ccccc1CNCc1ccc(Cl)s1 ZINC000090736041 260261784 /nfs/dbraw/zinc/26/17/84/260261784.db2.gz KMJOAZYRKCIYFS-UHFFFAOYSA-N 0 1 294.807 3.650 20 0 CHADMN C[C@H](NCc1cccc2cccnc21)c1ccc(F)cn1 ZINC000092196571 260268846 /nfs/dbraw/zinc/26/88/46/260268846.db2.gz MSCMBMMSPCJMGA-LBPRGKRZSA-N 0 1 281.334 3.620 20 0 CHADMN CCc1nn(C)cc1CN[C@@H](C)c1cc2ccccc2o1 ZINC000092365171 260269601 /nfs/dbraw/zinc/26/96/01/260269601.db2.gz ZPRCAZKZKNSHRH-LBPRGKRZSA-N 0 1 283.375 3.580 20 0 CHADMN COc1ccc2ccccc2c1CNCc1cnccc1C ZINC000317569508 260275683 /nfs/dbraw/zinc/27/56/83/260275683.db2.gz KUWYDLFWQGFNSH-UHFFFAOYSA-N 0 1 292.382 3.842 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2NCc1cc(F)ccc1F ZINC000126901249 260360071 /nfs/dbraw/zinc/36/00/71/260360071.db2.gz NHOHLGHTRDXLMM-INIZCTEOSA-N 0 1 277.289 3.881 20 0 CHADMN C[C@@H](c1ccccc1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000090558085 260369313 /nfs/dbraw/zinc/36/93/13/260369313.db2.gz SOBARSZDTPGQEA-KBXCAEBGSA-N 0 1 285.362 3.960 20 0 CHADMN COc1ccc(CN2CCCCC[C@@H]2c2ccco2)cn1 ZINC000085820606 260379721 /nfs/dbraw/zinc/37/97/21/260379721.db2.gz BHNVDQPFQAFMOR-OAHLLOKOSA-N 0 1 286.375 3.801 20 0 CHADMN CCC[C@H](CNCc1ncc(-c2ccccc2)s1)OC ZINC000449376711 260465529 /nfs/dbraw/zinc/46/55/29/260465529.db2.gz MOGKYOQKLSKPDE-CQSZACIVSA-N 0 1 290.432 3.715 20 0 CHADMN Cc1nc(-c2cccnc2)sc1[C@H](C)NCc1ccco1 ZINC000152040906 261058400 /nfs/dbraw/zinc/05/84/00/261058400.db2.gz OSTWYHZNDWKDGG-NSHDSACASA-N 0 1 299.399 3.957 20 0 CHADMN Cc1nc(-c2cccnc2)sc1[C@@H](C)NCc1ccco1 ZINC000152040830 261058456 /nfs/dbraw/zinc/05/84/56/261058456.db2.gz OSTWYHZNDWKDGG-LLVKDONJSA-N 0 1 299.399 3.957 20 0 CHADMN COc1cc([C@H](C)NCc2ccco2)ccc1SC ZINC000152044108 261058797 /nfs/dbraw/zinc/05/87/97/261058797.db2.gz OODMRCYOXNLZMQ-NSHDSACASA-N 0 1 277.389 3.861 20 0 CHADMN C[C@H](N[C@H]1CCc2ccc(F)cc21)c1ccccn1 ZINC000152373841 261063197 /nfs/dbraw/zinc/06/31/97/261063197.db2.gz IRZLRWBMHMEDGU-ZBEGNZNMSA-N 0 1 256.324 3.559 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2cncc(F)c2)cc1F ZINC000152801959 261069463 /nfs/dbraw/zinc/06/94/63/261069463.db2.gz DDEXPUQOCARADU-LLVKDONJSA-N 0 1 292.329 3.609 20 0 CHADMN COc1ncccc1CN[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000152838395 261070042 /nfs/dbraw/zinc/07/00/42/261070042.db2.gz HNLXLWANOHIQOA-CZUORRHYSA-N 0 1 282.387 3.737 20 0 CHADMN Cc1noc(C)c1CN[C@H]1C[C@H](C)c2c1cccc2C ZINC000153196885 261074657 /nfs/dbraw/zinc/07/46/57/261074657.db2.gz GEUHWUHMTSSZJW-ZBEGNZNMSA-N 0 1 270.376 3.938 20 0 CHADMN c1cc([C@H]2CCCN2Cc2cncs2)cs1 ZINC000153534422 261079885 /nfs/dbraw/zinc/07/98/85/261079885.db2.gz JUOHGKYOVUAZNF-GFCCVEGCSA-N 0 1 250.392 3.542 20 0 CHADMN Cc1noc(C)c1CN[C@H]1CCCOc2cc(C)ccc21 ZINC000153922374 261085002 /nfs/dbraw/zinc/08/50/02/261085002.db2.gz BEKCXGUKLPJMQH-INIZCTEOSA-N 0 1 286.375 3.603 20 0 CHADMN CC1(c2ccccc2)CCN(Cc2nccs2)CC1 ZINC000153914159 261085123 /nfs/dbraw/zinc/08/51/23/261085123.db2.gz PKOALRUJQWDBHU-UHFFFAOYSA-N 0 1 272.417 3.697 20 0 CHADMN C[C@H]1CCCN1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000154687846 261093840 /nfs/dbraw/zinc/09/38/40/261093840.db2.gz XLZSJJFYVYYZIN-HNNXBMFYSA-N 0 1 294.398 3.776 20 0 CHADMN C[C@@H]1CN(Cc2ncc(C(C)(C)C)s2)C[C@H]1C ZINC000448336224 261117437 /nfs/dbraw/zinc/11/74/37/261117437.db2.gz ARHJMELLKDFCKK-GHMZBOCLSA-N 0 1 252.427 3.528 20 0 CHADMN CCCC[C@@H](COC)NCc1coc(-c2cccs2)n1 ZINC000155033511 261097289 /nfs/dbraw/zinc/09/72/89/261097289.db2.gz ASDLRVXZDWFEPZ-LBPRGKRZSA-N 0 1 294.420 3.698 20 0 CHADMN CC(C)(C)c1cnc(CN2CC[C@@H]3CCC[C@H]32)s1 ZINC000448333495 261117670 /nfs/dbraw/zinc/11/76/70/261117670.db2.gz CDVBHAWEEZENOK-NWDGAFQWSA-N 0 1 264.438 3.815 20 0 CHADMN CC(C)(C)c1cnc(CN2C[C@@H]3[C@H](C2)C3(C)C)s1 ZINC000448338935 261120544 /nfs/dbraw/zinc/12/05/44/261120544.db2.gz HPLXBRRQRPFBJW-PHIMTYICSA-N 0 1 264.438 3.528 20 0 CHADMN Cc1ccc2cc(CN3CCO[C@@H](C(C)(C)C)C3)ccc2n1 ZINC000448353413 261124353 /nfs/dbraw/zinc/12/43/53/261124353.db2.gz GZTIZZYJQRGRCE-GOSISDBHSA-N 0 1 298.430 3.790 20 0 CHADMN C[C@H](O)C[C@H]1CCCCN1Cc1cc(F)cc(Cl)c1 ZINC000448368392 261130313 /nfs/dbraw/zinc/13/03/13/261130313.db2.gz VLGAAYUBSWIFQX-XHDPSFHLSA-N 0 1 285.790 3.605 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCCN1Cc1cc(F)cc(Cl)c1 ZINC000448368387 261130722 /nfs/dbraw/zinc/13/07/22/261130722.db2.gz VLGAAYUBSWIFQX-ABAIWWIYSA-N 0 1 285.790 3.605 20 0 CHADMN CCCCc1noc([C@H](C)N[C@H](C)C2CCCC2)n1 ZINC000172170798 261152326 /nfs/dbraw/zinc/15/23/26/261152326.db2.gz LWMCBHGNKHQBSE-NEPJUHHUSA-N 0 1 265.401 3.642 20 0 CHADMN C[C@H](c1nc(Cc2ccccc2)no1)N1CCCCCC1 ZINC000158174947 261160116 /nfs/dbraw/zinc/16/01/16/261160116.db2.gz MSRGSTQSWGBDTB-CQSZACIVSA-N 0 1 285.391 3.597 20 0 CHADMN CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1cn(C)nc1C(F)F ZINC000361184933 261171930 /nfs/dbraw/zinc/17/19/30/261171930.db2.gz AAQRFBAODHYMTF-AAEUAGOBSA-N 0 1 285.382 3.758 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@H](C)c1oc2ccccc2c1C ZINC000174024339 261176349 /nfs/dbraw/zinc/17/63/49/261176349.db2.gz HMDRPLYJUWRRIN-CYBMUJFWSA-N 0 1 297.402 3.942 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2csc3ccccc23)[C@H]1C(=O)[O-] ZINC000300295438 261190089 /nfs/dbraw/zinc/19/00/89/261190089.db2.gz OGAVVHSHSQAGGP-IAQYHMDHSA-N 0 1 289.400 3.586 20 0 CHADMN CC[C@H](C)CN1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000499244577 261196012 /nfs/dbraw/zinc/19/60/12/261196012.db2.gz BBJPHHODGOCYPH-SWLSCSKDSA-N 0 1 299.361 3.707 20 0 CHADMN Cc1ccccc1Cc1noc(CN2CCC[C@@H](C)CC2)n1 ZINC000175604932 261236929 /nfs/dbraw/zinc/23/69/29/261236929.db2.gz HOJVWPAYAKCHMC-CQSZACIVSA-N 0 1 299.418 3.591 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)N[C@@H](C)c1cnc(C)nc1C ZINC000162374450 261279519 /nfs/dbraw/zinc/27/95/19/261279519.db2.gz FIEOYCJLJRNOCP-OLZOCXBDSA-N 0 1 299.418 3.822 20 0 CHADMN CN(Cc1csc(N(C)C2CC2)n1)[C@H]1CCC(C)(C)C1 ZINC000361468624 261282905 /nfs/dbraw/zinc/28/29/05/261282905.db2.gz HXTHVEBVZQMZRD-AWEZNQCLSA-N 0 1 293.480 3.752 20 0 CHADMN Cc1cccc2nc(CCC(=O)Nc3ccsc3)[nH]c21 ZINC000176617717 261299594 /nfs/dbraw/zinc/29/95/94/261299594.db2.gz SOXUTZBKYLVZPK-UHFFFAOYSA-N 0 1 285.372 3.504 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1nc(CC(C)C)no1)C1CC1 ZINC000104966271 261304050 /nfs/dbraw/zinc/30/40/50/261304050.db2.gz UFHVXSYGNCDIKV-CHWSQXEVSA-N 0 1 279.428 3.667 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1nnc(C(C)C)o1)C1CC1 ZINC000104967320 261304350 /nfs/dbraw/zinc/30/43/50/261304350.db2.gz DHIDBVJKJQVNED-NWDGAFQWSA-N 0 1 265.401 3.592 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccccc1OC)c1ccncc1 ZINC000163686232 261325193 /nfs/dbraw/zinc/32/51/93/261325193.db2.gz GFICBWZAVZEYQM-CZUORRHYSA-N 0 1 270.376 3.892 20 0 CHADMN CC[C@@H](NCc1cnc(C)s1)c1ccccc1F ZINC000163836007 261330769 /nfs/dbraw/zinc/33/07/69/261330769.db2.gz WDCIPFUWFKSYNX-CQSZACIVSA-N 0 1 264.369 3.832 20 0 CHADMN C[C@@H](CNc1ccc(Cl)cn1)[N@@H+](C)Cc1ccccc1 ZINC000301468762 261334681 /nfs/dbraw/zinc/33/46/81/261334681.db2.gz ZKYSRELPLPGTIL-ZDUSSCGKSA-N 0 1 289.810 3.667 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccccn2)c2ccccc2n1 ZINC000105414841 261358568 /nfs/dbraw/zinc/35/85/68/261358568.db2.gz VHTBLMKYPGWRCC-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000177556356 261362177 /nfs/dbraw/zinc/36/21/77/261362177.db2.gz JJNBAJHBYRXMHK-RWMBFGLXSA-N 0 1 277.412 3.550 20 0 CHADMN CCCCN(C)C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000187820889 261380024 /nfs/dbraw/zinc/38/00/24/261380024.db2.gz JEEJRQFYPSFFFN-UHFFFAOYSA-N 0 1 297.811 3.664 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccccn1)CCC2 ZINC000165949723 261380034 /nfs/dbraw/zinc/38/00/34/261380034.db2.gz NDTISMHQKHLSJL-QGZVFWFLSA-N 0 1 252.361 3.557 20 0 CHADMN Cc1cnc(CN[C@H]2CCCc3ccc(C)cc32)s1 ZINC000166716065 261392308 /nfs/dbraw/zinc/39/23/08/261392308.db2.gz MISRDMKOUFAWST-HNNXBMFYSA-N 0 1 272.417 3.927 20 0 CHADMN CN(Cc1ccn(-c2c(F)cccc2F)n1)C1CCCC1 ZINC000178579415 261399460 /nfs/dbraw/zinc/39/94/60/261399460.db2.gz XMXKIVFFICTSHF-UHFFFAOYSA-N 0 1 291.345 3.525 20 0 CHADMN CC[C@H](C)[C@H](O)CNCc1csc(Cl)c1Cl ZINC000336675631 261604033 /nfs/dbraw/zinc/60/40/33/261604033.db2.gz BNBOPZWQHQTMEE-IONNQARKSA-N 0 1 282.236 3.552 20 0 CHADMN C[C@H](N[C@H]1CCCOc2cc(F)ccc21)c1cccnc1 ZINC000179963818 261828898 /nfs/dbraw/zinc/82/88/98/261828898.db2.gz QJFMNGPVVKKWOJ-LRDDRELGSA-N 0 1 286.350 3.785 20 0 CHADMN CCOc1ccccc1CN[C@H](C)c1cncc(C)c1 ZINC000184292599 262016032 /nfs/dbraw/zinc/01/60/32/262016032.db2.gz HYWYVJLCMXKODX-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN CCCN(CCc1cccs1)Cc1cscn1 ZINC000184505849 262021599 /nfs/dbraw/zinc/02/15/99/262021599.db2.gz LHNNWNNBQKSSFT-UHFFFAOYSA-N 0 1 266.435 3.659 20 0 CHADMN COc1ccc(CNCc2ccc(C(F)F)cc2)cc1O ZINC000185183647 262045093 /nfs/dbraw/zinc/04/50/93/262045093.db2.gz OLDDLBAMOURRBO-UHFFFAOYSA-N 0 1 293.313 3.628 20 0 CHADMN C[C@@H](NCCC(C)(C)C)c1nc(Cc2ccccc2)no1 ZINC000185394984 262052657 /nfs/dbraw/zinc/05/26/57/262052657.db2.gz USQYLTKNHREPKL-CYBMUJFWSA-N 0 1 287.407 3.747 20 0 CHADMN CCC[C@@H](NCc1c(CC)noc1CC)c1cccnc1 ZINC000185678344 262065702 /nfs/dbraw/zinc/06/57/02/262065702.db2.gz LQYDEABBKXBEHL-MRXNPFEDSA-N 0 1 287.407 3.825 20 0 CHADMN CCc1nnc(SCc2ccc(C(F)F)cc2)[nH]1 ZINC000185732622 262068442 /nfs/dbraw/zinc/06/84/42/262068442.db2.gz RHSKBVUUZUHCEK-UHFFFAOYSA-N 0 1 269.320 3.597 20 0 CHADMN CCc1n[nH]c(SCc2ccc(C(F)F)cc2)n1 ZINC000185732622 262068444 /nfs/dbraw/zinc/06/84/44/262068444.db2.gz RHSKBVUUZUHCEK-UHFFFAOYSA-N 0 1 269.320 3.597 20 0 CHADMN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2csc(C(C)C)n2)n[nH]1 ZINC000186423683 262092258 /nfs/dbraw/zinc/09/22/58/262092258.db2.gz WZQQEMULXOBAAE-CMPLNLGQSA-N 0 1 292.452 3.580 20 0 CHADMN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2csc(C(C)C)n2)n[nH]1 ZINC000186423665 262092477 /nfs/dbraw/zinc/09/24/77/262092477.db2.gz WZQQEMULXOBAAE-ZYHUDNBSSA-N 0 1 292.452 3.580 20 0 CHADMN Cc1cccc2c1[C@@H](C)C[C@@H]2N[C@@H](CCO)c1ccco1 ZINC000186530316 262097492 /nfs/dbraw/zinc/09/74/92/262097492.db2.gz BODLCJQSQCNGAC-BPUTZDHNSA-N 0 1 285.387 3.850 20 0 CHADMN CC[C@H](CN(CC)[C@@H](C)c1nnc(C)o1)c1ccccc1 ZINC000186623858 262102155 /nfs/dbraw/zinc/10/21/55/262102155.db2.gz VYCKSBSAIRISQO-DZGCQCFKSA-N 0 1 287.407 3.955 20 0 CHADMN CCc1ccccc1NC(=O)[C@H](C)N1CCCC(C)(C)C1 ZINC000497373649 262148556 /nfs/dbraw/zinc/14/85/56/262148556.db2.gz ZXAQXNAZVGCKFR-AWEZNQCLSA-N 0 1 288.435 3.698 20 0 CHADMN CSCCCCCN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000188488361 262157303 /nfs/dbraw/zinc/15/73/03/262157303.db2.gz DRFAGNITMCIMHM-HNNXBMFYSA-N 0 1 289.448 3.622 20 0 CHADMN CC1(C)CCCC[C@H]1NCc1nc(C2CCCC2)no1 ZINC000119899648 262174039 /nfs/dbraw/zinc/17/40/39/262174039.db2.gz OSQRPRLWOIYSQL-CYBMUJFWSA-N 0 1 277.412 3.786 20 0 CHADMN Fc1ccccc1CNCc1ccc(OC(F)F)cc1 ZINC000019949609 262206531 /nfs/dbraw/zinc/20/65/31/262206531.db2.gz MNQPUDIVDTXBAD-UHFFFAOYSA-N 0 1 281.277 3.717 20 0 CHADMN Cc1ccoc1CN[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000314593192 262213883 /nfs/dbraw/zinc/21/38/83/262213883.db2.gz PABLPWJHVDGAEQ-CQSZACIVSA-N 0 1 281.359 3.625 20 0 CHADMN C[C@H]1C[N@@H+](CC2CCCC2)[C@@H](c2ccccc2)CO1 ZINC000525781620 262227610 /nfs/dbraw/zinc/22/76/10/262227610.db2.gz LANIPIPQRSQONJ-WMLDXEAASA-N 0 1 259.393 3.639 20 0 CHADMN C[C@H](N[C@H]1CCCc2occc21)c1ccc2c(c1)OCCO2 ZINC000120773274 262229642 /nfs/dbraw/zinc/22/96/42/262229642.db2.gz WZDPXXWBBQJSGX-WFASDCNBSA-N 0 1 299.370 3.779 20 0 CHADMN CCOC[C@@H]1CCN(Cc2cccc(Cl)c2OCC)C1 ZINC000494957745 262273737 /nfs/dbraw/zinc/27/37/37/262273737.db2.gz OKMGLLCUQOYCDY-CYBMUJFWSA-N 0 1 297.826 3.597 20 0 CHADMN O=C(Nc1cccc2ccc(O)cc21)c1c(O)cccc1F ZINC000185330904 262304011 /nfs/dbraw/zinc/30/40/11/262304011.db2.gz BAJZNQFKTIEQQI-UHFFFAOYSA-N 0 1 297.285 3.642 20 0 CHADMN CCOC(C)(C)CNCc1ncc(-c2ccccc2)s1 ZINC000186532213 262316118 /nfs/dbraw/zinc/31/61/18/262316118.db2.gz LQSSNPKZKAVAQF-UHFFFAOYSA-N 0 1 290.432 3.715 20 0 CHADMN Cc1ccc2nc(CNC(=O)C[C@@H]3CCCC[C@H]3C)[nH]c2c1 ZINC000525799430 262356265 /nfs/dbraw/zinc/35/62/65/262356265.db2.gz LZPVCKHKZQFFFO-KGLIPLIRSA-N 0 1 299.418 3.704 20 0 CHADMN Cc1csc([C@@H](C)N[C@@H]2C=CCCCCC2)n1 ZINC000393959177 262377574 /nfs/dbraw/zinc/37/75/74/262377574.db2.gz OGSVHFFPYGTLDZ-CHWSQXEVSA-N 0 1 250.411 3.991 20 0 CHADMN COc1cccc([C@@H](C)N[C@H](C)c2ccncc2OC)c1 ZINC000187101529 262379860 /nfs/dbraw/zinc/37/98/60/262379860.db2.gz WFAJEJCPUXVFCS-CHWSQXEVSA-N 0 1 286.375 3.511 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(F)c(F)c2)ccn1 ZINC000391182641 262385980 /nfs/dbraw/zinc/38/59/80/262385980.db2.gz UWXKLSNXZGDSPI-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN Cc1cc(CN[C@H](C)c2csc(Cl)c2)ccn1 ZINC000391189149 262388222 /nfs/dbraw/zinc/38/82/22/262388222.db2.gz UTDHXMIJJFNLMO-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Oc1cccc(CNCc2ccccc2C(F)(F)F)c1 ZINC000060390885 262392203 /nfs/dbraw/zinc/39/22/03/262392203.db2.gz WWMLEERRHIFDAL-UHFFFAOYSA-N 0 1 281.277 3.701 20 0 CHADMN Cc1oncc1CN(C)[C@H](c1ccc(F)cc1)C(C)C ZINC000434621673 262700477 /nfs/dbraw/zinc/70/04/77/262700477.db2.gz VRDJHZHJIZTVEE-INIZCTEOSA-N 0 1 276.355 3.951 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccncc2F)c(C)c1 ZINC000414151748 262810855 /nfs/dbraw/zinc/81/08/55/262810855.db2.gz QDMFYIQKZJZWCD-QWHCGFSZSA-N 0 1 288.366 3.950 20 0 CHADMN C[C@@H](N[C@@H](C)C1CCCCCC1)c1csnn1 ZINC000414297380 262838896 /nfs/dbraw/zinc/83/88/96/262838896.db2.gz HJPYRMKXZJQNGG-WDEREUQCSA-N 0 1 253.415 3.548 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(C(=O)c1cccc2n[nH]cc21)C1CC1 ZINC000264182867 262883852 /nfs/dbraw/zinc/88/38/52/262883852.db2.gz MZNYTTQZSWCFBC-VXGBXAGGSA-N 0 1 285.391 3.602 20 0 CHADMN CCc1ncc(CN2CCC[C@@H]2/C=C\c2ccccc2)cn1 ZINC000414438483 262918363 /nfs/dbraw/zinc/91/83/63/262918363.db2.gz VHOXENLFWCEQSI-RXQFDZFGSA-N 0 1 293.414 3.717 20 0 CHADMN CC[C@H](NCc1ccc(CO)cc1)c1ccc(F)cc1F ZINC000272545534 263006243 /nfs/dbraw/zinc/00/62/43/263006243.db2.gz SFWDGUJPAAEGJW-KRWDZBQOSA-N 0 1 291.341 3.698 20 0 CHADMN CC[C@@H](NCc1ccc(CO)cc1)c1ccc(F)cc1F ZINC000272545536 263006352 /nfs/dbraw/zinc/00/63/52/263006352.db2.gz SFWDGUJPAAEGJW-QGZVFWFLSA-N 0 1 291.341 3.698 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H]2CC[C@H](C(F)(F)F)C2)n1 ZINC000414611884 263009430 /nfs/dbraw/zinc/00/94/30/263009430.db2.gz CYUULQGVWAFGJG-GUBZILKMSA-N 0 1 291.317 3.562 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2coc3cc(F)ccc23)n1 ZINC000414611722 263009550 /nfs/dbraw/zinc/00/95/50/263009550.db2.gz COXZNOMVPRVZFJ-LBPRGKRZSA-N 0 1 289.310 3.668 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H](C)c2c(F)cccc2F)n1 ZINC000414611322 263009602 /nfs/dbraw/zinc/00/96/02/263009602.db2.gz CDJJNZQNSUOKEP-JOYOIKCWSA-N 0 1 295.333 3.546 20 0 CHADMN Cc1ccc(/C=C\Cc2nc([C@H](N)CC(C)C)no2)cc1 ZINC000414611616 263009634 /nfs/dbraw/zinc/00/96/34/263009634.db2.gz CIBBSZKYPMKNAL-FOSCPCJNSA-N 0 1 285.391 3.680 20 0 CHADMN Cc1cc(-c2nc([C@H](N)CC(C)C)no2)cc(C)c1F ZINC000414611271 263009640 /nfs/dbraw/zinc/00/96/40/263009640.db2.gz CBSFGLHBUHLENQ-GFCCVEGCSA-N 0 1 277.343 3.538 20 0 CHADMN Cc1ccc(/C=C/Cc2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000414611634 263009660 /nfs/dbraw/zinc/00/96/60/263009660.db2.gz CIBBSZKYPMKNAL-RGDDUWESSA-N 0 1 285.391 3.680 20 0 CHADMN NC1(c2noc([C@@H]3CCC[C@@H]4CCCC[C@H]34)n2)CCCC1 ZINC000414626585 263016607 /nfs/dbraw/zinc/01/66/07/263016607.db2.gz JYOHATBUEFXYKI-MELADBBJSA-N 0 1 289.423 3.872 20 0 CHADMN NC1(c2noc([C@H]3CCC[C@@H]3c3ccccc3)n2)CCCC1 ZINC000414628748 263016634 /nfs/dbraw/zinc/01/66/34/263016634.db2.gz OTWMCPPIBPVSCN-CABCVRRESA-N 0 1 297.402 3.849 20 0 CHADMN Cc1ccc(-c2nc([C@H](N)CC(C)C)no2)c(Cl)c1 ZINC000414627700 263016800 /nfs/dbraw/zinc/01/68/00/263016800.db2.gz ZPHSKMHXUCTAKI-GFCCVEGCSA-N 0 1 279.771 3.744 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2CCCC(C)(C)C2)n1 ZINC000414627631 263016856 /nfs/dbraw/zinc/01/68/56/263016856.db2.gz ZLBSQROSQWNADH-NEPJUHHUSA-N 0 1 265.401 3.799 20 0 CHADMN NC1(c2noc(-c3cc(F)c4ccccc4c3)n2)CCCC1 ZINC000414631417 263017146 /nfs/dbraw/zinc/01/71/46/263017146.db2.gz XBTZCDZWVXUPJC-UHFFFAOYSA-N 0 1 297.333 3.757 20 0 CHADMN Cc1ccc(-c2nc(C3(N)CCCC3)no2)c(F)c1Cl ZINC000414631811 263017528 /nfs/dbraw/zinc/01/75/28/263017528.db2.gz XZVOQRXHEYOYQI-UHFFFAOYSA-N 0 1 295.745 3.566 20 0 CHADMN C[C@@]1(c2ccccc2)CC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000414638916 263019040 /nfs/dbraw/zinc/01/90/40/263019040.db2.gz PAIBCDNLZAOMCR-LJQANCHMSA-N 0 1 295.382 3.548 20 0 CHADMN COc1ccc2nc(CN3CC(C)=C[C@@H](C)C3)sc2c1 ZINC000430290492 263034702 /nfs/dbraw/zinc/03/47/02/263034702.db2.gz QZSWLGHRCNEZFN-LLVKDONJSA-N 0 1 288.416 3.703 20 0 CHADMN COCCCN1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000276484396 263036934 /nfs/dbraw/zinc/03/69/34/263036934.db2.gz SVUITUNWFRROOR-QGZVFWFLSA-N 0 1 299.418 3.640 20 0 CHADMN C[C@@H](c1nc2ccccc2s1)N(C)C[C@@H](O)C(C)(C)C ZINC000283843400 263084646 /nfs/dbraw/zinc/08/46/46/263084646.db2.gz HJNQEBXFNPVPRN-SMDDNHRTSA-N 0 1 292.448 3.696 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)COc2c(C)cccc2C)no1 ZINC000289562681 263110824 /nfs/dbraw/zinc/11/08/24/263110824.db2.gz CWAMYASKCFQLPY-HIFRSBDPSA-N 0 1 288.391 3.718 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(COC2CCCC2)cc1 ZINC000289563648 263110926 /nfs/dbraw/zinc/11/09/26/263110926.db2.gz RFROCODJSOLWGJ-UHFFFAOYSA-N 0 1 285.391 3.789 20 0 CHADMN COC(=O)c1ccc(CN[C@H]2CCCc3ccc(C)cc32)o1 ZINC000290052381 263114465 /nfs/dbraw/zinc/11/44/65/263114465.db2.gz DQNMOMYSJALYQR-INIZCTEOSA-N 0 1 299.370 3.542 20 0 CHADMN Cc1cc([C@@H](C)NC[C@@H](C)Sc2ccccc2)no1 ZINC000290614547 263117711 /nfs/dbraw/zinc/11/77/11/263117711.db2.gz IDMQIRPWJHXKSY-CHWSQXEVSA-N 0 1 276.405 3.814 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2ccc(F)cc2F)CCCO1 ZINC000439485323 263126136 /nfs/dbraw/zinc/12/61/36/263126136.db2.gz HXGVHNQJGRFGQX-DGCLKSJQSA-N 0 1 269.335 3.527 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1C[C@H](C)c2ccccc21 ZINC000293609791 263144087 /nfs/dbraw/zinc/14/40/87/263144087.db2.gz FADYNCXTHBRVGK-APPDUMDISA-N 0 1 270.376 3.884 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1C[C@@H](C)c2ccccc21 ZINC000293609800 263144425 /nfs/dbraw/zinc/14/44/25/263144425.db2.gz FADYNCXTHBRVGK-PIGZYNQJSA-N 0 1 270.376 3.884 20 0 CHADMN CCc1noc(C)c1CN[C@@H](CC)c1cccc(OC)c1 ZINC000340443676 263151177 /nfs/dbraw/zinc/15/11/77/263151177.db2.gz JUMBISJCBJIIIS-INIZCTEOSA-N 0 1 288.391 3.795 20 0 CHADMN CCc1noc(C)c1CN[C@@H](C)c1cccc(C)c1 ZINC000340444502 263151261 /nfs/dbraw/zinc/15/12/61/263151261.db2.gz PPOQGMBTJUHANL-LBPRGKRZSA-N 0 1 258.365 3.705 20 0 CHADMN CCn1cc([C@@H](C)N[C@@H]2CC(C)(C)Cc3occc32)cn1 ZINC000296111963 263185864 /nfs/dbraw/zinc/18/58/64/263185864.db2.gz ZNKPIVKWWKUTAV-IUODEOHRSA-N 0 1 287.407 3.860 20 0 CHADMN CC[C@@H](N[C@H](C)c1nccnc1C)c1cccs1 ZINC000187848319 263271862 /nfs/dbraw/zinc/27/18/62/263271862.db2.gz FSVGAUMILUHEFR-VXGBXAGGSA-N 0 1 261.394 3.648 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@H]2CCC(C)(C)O2)cs1 ZINC000187853345 263274645 /nfs/dbraw/zinc/27/46/45/263274645.db2.gz PAQSGSHJUFRWML-NWDGAFQWSA-N 0 1 282.453 3.875 20 0 CHADMN Cc1noc(C)c1CCN[C@H](C)c1c(F)cccc1Cl ZINC000342315016 263419856 /nfs/dbraw/zinc/41/98/56/263419856.db2.gz BQCBXUBWHMUKTL-SNVBAGLBSA-N 0 1 296.773 3.977 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2COCc3ccccc32)s1 ZINC000225995148 264106608 /nfs/dbraw/zinc/10/66/08/264106608.db2.gz LIPMQUKVUSODOV-WFASDCNBSA-N 0 1 273.401 3.979 20 0 CHADMN CS[C@@H]1CC[C@H]1N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000425360779 264143344 /nfs/dbraw/zinc/14/33/44/264143344.db2.gz SYIRGAUZLSJODQ-GMTAPVOTSA-N 0 1 284.494 3.985 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000331241206 264177164 /nfs/dbraw/zinc/17/71/64/264177164.db2.gz QCZTXABAHNAELG-DGCLKSJQSA-N 0 1 289.375 3.750 20 0 CHADMN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ncc(C(C)(C)C)s1 ZINC000331301877 264200602 /nfs/dbraw/zinc/20/06/02/264200602.db2.gz CJEAYLZMTQOIMU-WDEREUQCSA-N 0 1 295.452 3.576 20 0 CHADMN CC(C)n1cncc1CN1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000425368872 264213493 /nfs/dbraw/zinc/21/34/93/264213493.db2.gz KVLBZXXIFGRLGP-RYUDHWBXSA-N 0 1 289.345 3.627 20 0 CHADMN C[C@H]1CSCCN(Cc2cc(Cl)cs2)C1 ZINC000425961427 264227255 /nfs/dbraw/zinc/22/72/55/264227255.db2.gz SQHYGTXWCUUXLM-SECBINFHSA-N 0 1 261.843 3.586 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H](C)c1ccsc1 ZINC000188784632 264242311 /nfs/dbraw/zinc/24/23/11/264242311.db2.gz OFQZVZPJLOBNEZ-MNOVXSKESA-N 0 1 262.378 3.564 20 0 CHADMN O=C([O-])CC[N@@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000071736464 264256119 /nfs/dbraw/zinc/25/61/19/264256119.db2.gz JLAPZEPQIXELQM-UHFFFAOYSA-N 0 1 281.783 3.559 20 0 CHADMN CN(Cc1nc(-c2ccccc2F)no1)C1CCCCC1 ZINC000188949361 264259893 /nfs/dbraw/zinc/25/98/93/264259893.db2.gz KQAKSZPSGDMZJU-UHFFFAOYSA-N 0 1 289.354 3.640 20 0 CHADMN COc1cnccc1[C@H](C)NCc1ccc(SC)cc1 ZINC000189572965 264305244 /nfs/dbraw/zinc/30/52/44/264305244.db2.gz WDERNDSPYILMLY-LBPRGKRZSA-N 0 1 288.416 3.663 20 0 CHADMN Cc1ccncc1CN[C@@H]1CCc2sc(Cl)cc21 ZINC000162626551 264327232 /nfs/dbraw/zinc/32/72/32/264327232.db2.gz DXZYBORVSBMHNL-GFCCVEGCSA-N 0 1 278.808 3.882 20 0 CHADMN CC[C@H](OC1CCCC1)C(=O)Nc1cccc(Cl)c1O ZINC000077012937 264350536 /nfs/dbraw/zinc/35/05/36/264350536.db2.gz NETTXDUHNNJTTM-ZDUSSCGKSA-N 0 1 297.782 3.722 20 0 CHADMN C[C@@H](NCc1cnn(CC(F)F)c1)c1ccc(Cl)cc1 ZINC000292968667 264905208 /nfs/dbraw/zinc/90/52/08/264905208.db2.gz KXMNSHNPFVCJBG-SNVBAGLBSA-N 0 1 299.752 3.652 20 0 CHADMN CCCC1(CN[C@@H](C)c2ncc(C(=O)OC)s2)CCC1 ZINC000314641768 265173420 /nfs/dbraw/zinc/17/34/20/265173420.db2.gz KWTPZXKUWGDJBO-NSHDSACASA-N 0 1 296.436 3.551 20 0 CHADMN Cc1ccc(O[C@@H](C)CNCc2ncc(Cl)s2)cc1 ZINC000349673789 265203026 /nfs/dbraw/zinc/20/30/26/265203026.db2.gz VZQHVRHTIVOPOA-NSHDSACASA-N 0 1 296.823 3.662 20 0 CHADMN Cc1ccc(O[C@H](C)CNCc2ncc(Cl)s2)cc1 ZINC000349673787 265202585 /nfs/dbraw/zinc/20/25/85/265202585.db2.gz VZQHVRHTIVOPOA-LLVKDONJSA-N 0 1 296.823 3.662 20 0 CHADMN CC(C)=CCC[C@@H](C)CCNCc1nnc(C)s1 ZINC000519050585 265304053 /nfs/dbraw/zinc/30/40/53/265304053.db2.gz AXSLYAMRQFTDOZ-GFCCVEGCSA-N 0 1 267.442 3.709 20 0 CHADMN CCC(CC)N(Cc1nc(C(C)(C)C)no1)C1CC1 ZINC000519193091 265361866 /nfs/dbraw/zinc/36/18/66/265361866.db2.gz ZSETWYSMDVBYPE-UHFFFAOYSA-N 0 1 265.401 3.520 20 0 CHADMN CCO[C@@H](C)c1nc(CN(CC2CC2)C(C)C)cs1 ZINC000519227811 265370788 /nfs/dbraw/zinc/37/07/88/265370788.db2.gz NLFSOSSTVKCVFA-LBPRGKRZSA-N 0 1 282.453 3.861 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1cn2ccccc2n1 ZINC000519423379 265433155 /nfs/dbraw/zinc/43/31/55/265433155.db2.gz FBTCTNAOKYYXCJ-QWRGUYRKSA-N 0 1 285.313 3.716 20 0 CHADMN C[C@@H](O)CN(Cc1cc(Cl)cs1)Cc1ccccc1 ZINC000519858770 265628722 /nfs/dbraw/zinc/62/87/22/265628722.db2.gz WCMDDVZOVCRCIP-GFCCVEGCSA-N 0 1 295.835 3.785 20 0 CHADMN COc1cc(F)cc(CNCc2cnc3ccccc3c2)c1 ZINC000354273739 266043597 /nfs/dbraw/zinc/04/35/97/266043597.db2.gz UVNROHSKLQWZJP-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@@H](C)c2ncc(C)o2)C1(CC)CC ZINC000356289734 266088442 /nfs/dbraw/zinc/08/84/42/266088442.db2.gz ULFNITSRPLPTCQ-BFHYXJOUSA-N 0 1 280.412 3.617 20 0 CHADMN CC[C@]1(C)C[C@H]1c1nc(Cc2nc3cccc(C)c3[nH]2)no1 ZINC000356956265 266218470 /nfs/dbraw/zinc/21/84/70/266218470.db2.gz YYTVRVBNRFTEPA-APPDUMDISA-N 0 1 296.374 3.749 20 0 CHADMN CC[C@]1(C)C[C@@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000356996531 266227203 /nfs/dbraw/zinc/22/72/03/266227203.db2.gz UEKXQXLODZNMGH-MEBBXXQBSA-N 0 1 268.320 3.517 20 0 CHADMN CCS[C@@H]1CCCCN([C@H](C)c2ncc(C)o2)C1 ZINC000357005078 266230446 /nfs/dbraw/zinc/23/04/46/266230446.db2.gz QUESIGAWHZLAOI-CHWSQXEVSA-N 0 1 268.426 3.652 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC[C@H](CC(C)C)C2)o1 ZINC000357009426 266232412 /nfs/dbraw/zinc/23/24/12/266232412.db2.gz VTGRSKAWQWDEII-ZIAGYGMSSA-N 0 1 250.386 3.802 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000357171508 266259247 /nfs/dbraw/zinc/25/92/47/266259247.db2.gz GESOQXGSBLZJGD-MNOVXSKESA-N 0 1 289.404 3.541 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000357171505 266259287 /nfs/dbraw/zinc/25/92/87/266259287.db2.gz GESOQXGSBLZJGD-GHMZBOCLSA-N 0 1 289.404 3.541 20 0 CHADMN CCCN(Cc1ncc(C)s1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000357309234 266273552 /nfs/dbraw/zinc/27/35/52/266273552.db2.gz QAAUHMBCLSWPIK-KGLIPLIRSA-N 0 1 296.480 3.867 20 0 CHADMN CCCCN1C(=O)N=NC1SCc1cc(C)sc1C ZINC000357392981 266289997 /nfs/dbraw/zinc/28/99/97/266289997.db2.gz UXTZQYRROSVWBO-UHFFFAOYSA-N 0 1 297.449 3.754 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3CCCC3(C)C)ccc12 ZINC000357577841 266329446 /nfs/dbraw/zinc/32/94/46/266329446.db2.gz FAOBQXDGBXGUPP-ZDUSSCGKSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1occc1CN[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000358009152 266395811 /nfs/dbraw/zinc/39/58/11/266395811.db2.gz CCKGHQBGNXDJLV-CQSZACIVSA-N 0 1 295.386 3.684 20 0 CHADMN Clc1cnc(CNC2(Cc3ccccc3)CC2)s1 ZINC000358959849 266513736 /nfs/dbraw/zinc/51/37/36/266513736.db2.gz CJZGNZAEHUNTBJ-UHFFFAOYSA-N 0 1 278.808 3.661 20 0 CHADMN COc1cc(C)c(CN(C)Cc2cccc(C)c2)c(C)n1 ZINC000359236239 266553520 /nfs/dbraw/zinc/55/35/20/266553520.db2.gz OJZWHRXATSZKFF-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CC[S@@](=O)CC[C@H]1C ZINC000361109028 266784058 /nfs/dbraw/zinc/78/40/58/266784058.db2.gz DINOPXNONZERKE-FCEWJHQRSA-N 0 1 285.497 3.602 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2ccsc2Cl)n[nH]1 ZINC000362922099 267060966 /nfs/dbraw/zinc/06/09/66/267060966.db2.gz BPIASKXUCFFDDI-BDAKNGLRSA-N 0 1 298.843 3.884 20 0 CHADMN CCCN(Cc1ccccc1)Cc1cccnc1OC ZINC000362956603 267066905 /nfs/dbraw/zinc/06/69/05/267066905.db2.gz ZNYCCDNVQQVDGN-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN C(C[C@@H]1CCCN1Cc1nc(C2CC2)no1)C1CCCC1 ZINC000362960572 267067657 /nfs/dbraw/zinc/06/76/57/267067657.db2.gz PIRBAKKEDABJHJ-HNNXBMFYSA-N 0 1 289.423 3.882 20 0 CHADMN Cc1cc([C@@H](C)NC[C@@H]2CCCN(c3ccccc3)C2)no1 ZINC000368060014 267143606 /nfs/dbraw/zinc/14/36/06/267143606.db2.gz ZKZRKOOAHCAMTM-CVEARBPZSA-N 0 1 299.418 3.550 20 0 CHADMN C[C@@H](CSc1nc(C2CC2)n[nH]1)c1ccccc1 ZINC000116611472 267167263 /nfs/dbraw/zinc/16/72/63/267167263.db2.gz OLDZAKSLRWKUGB-JTQLQIEISA-N 0 1 259.378 3.578 20 0 CHADMN C[C@@H](CSc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000116611472 267167267 /nfs/dbraw/zinc/16/72/67/267167267.db2.gz OLDZAKSLRWKUGB-JTQLQIEISA-N 0 1 259.378 3.578 20 0 CHADMN FCCCN1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000368472825 267175405 /nfs/dbraw/zinc/17/54/05/267175405.db2.gz BBQZHGMMGTWSQV-INIZCTEOSA-N 0 1 287.382 3.963 20 0 CHADMN Cc1noc(CN2CCCCC[C@@H]2c2cccc(C)c2)n1 ZINC000117897873 267225242 /nfs/dbraw/zinc/22/52/42/267225242.db2.gz MITPJWSAQZFVLP-MRXNPFEDSA-N 0 1 285.391 3.804 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CCN1Cc1cscn1 ZINC000369611800 267254674 /nfs/dbraw/zinc/25/46/74/267254674.db2.gz GZBCCATXVYOKID-HIFRSBDPSA-N 0 1 272.417 3.911 20 0 CHADMN C[C@H]1CCCC[C@@H]1OCCNC(C)(C)c1nccs1 ZINC000118848496 267274420 /nfs/dbraw/zinc/27/44/20/267274420.db2.gz YWEYLZOCERJWOL-STQMWFEESA-N 0 1 282.453 3.563 20 0 CHADMN CC(C)c1ncc(CN2CCSC[C@H]2C2CCC2)s1 ZINC000418124151 267325966 /nfs/dbraw/zinc/32/59/66/267325966.db2.gz HCDVPOOADLUIAF-AWEZNQCLSA-N 0 1 296.505 3.984 20 0 CHADMN FC(F)n1c2ccccc2nc1CN1CC[C@H](C2CC2)C1 ZINC000371307629 267386446 /nfs/dbraw/zinc/38/64/46/267386446.db2.gz GVEKCZPGKGXKFH-LBPRGKRZSA-N 0 1 291.345 3.663 20 0 CHADMN c1cc([C@H]2CCCN2Cc2cnn3ccccc23)cs1 ZINC000371396271 267399600 /nfs/dbraw/zinc/39/96/00/267399600.db2.gz ORUIHOFTBNHZAX-OAHLLOKOSA-N 0 1 283.400 3.733 20 0 CHADMN Cc1ccc(-c2noc(CN3[C@H](C)CC[C@@H]3C)n2)cc1F ZINC000123135041 268002403 /nfs/dbraw/zinc/00/24/03/268002403.db2.gz UEWUTILQUJUNMN-TXEJJXNPSA-N 0 1 289.354 3.557 20 0 CHADMN C[C@@H](F)CCN1CCCn2c(cc3ccccc32)C1 ZINC000376902538 268028724 /nfs/dbraw/zinc/02/87/24/268028724.db2.gz JOPTVHZOXZXEHG-CYBMUJFWSA-N 0 1 260.356 3.595 20 0 CHADMN Fc1ccc2c(c1)nccc2NCc1noc2c1CCCC2 ZINC000377160315 268051280 /nfs/dbraw/zinc/05/12/80/268051280.db2.gz BEXZBKDSBWQROG-UHFFFAOYSA-N 0 1 297.333 3.853 20 0 CHADMN Cc1noc([C@H](C)N[C@@H]2CC[C@@](C)(c3ccccc3)C2)n1 ZINC000570795747 327619781 /nfs/dbraw/zinc/61/97/81/327619781.db2.gz ASUWCOUSYCETDQ-XGWLTEMNSA-N 0 1 285.391 3.539 20 0 CHADMN C[C@@H](NCc1cccc(CO)c1)c1ccc(F)cc1Cl ZINC000177840189 327728655 /nfs/dbraw/zinc/72/86/55/327728655.db2.gz JCDCBKKZPJLZBE-LLVKDONJSA-N 0 1 293.769 3.822 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccn1)c1ccc(Cl)nc1 ZINC000179093697 327799241 /nfs/dbraw/zinc/79/92/41/327799241.db2.gz LSGSCYQZYXTEFT-MNOVXSKESA-N 0 1 261.756 3.542 20 0 CHADMN Cc1noc(C)c1CNC(C)(C)c1cccc(C)c1 ZINC000179591220 327802556 /nfs/dbraw/zinc/80/25/56/327802556.db2.gz YFBCUUDVVQHZDR-UHFFFAOYSA-N 0 1 258.365 3.625 20 0 CHADMN COc1cc(C)ccc1CN[C@H](C)c1cncc(C)c1 ZINC000184387925 327827429 /nfs/dbraw/zinc/82/74/29/327827429.db2.gz GYHBLGGYQYXOIE-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN CC(C)c1nc(CN(C)CCC(F)(F)F)c2ccccn21 ZINC000563252134 328000967 /nfs/dbraw/zinc/00/09/67/328000967.db2.gz APCZAARYQVBXAH-UHFFFAOYSA-N 0 1 299.340 3.842 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@@H](c1ccccc1F)[C@H](C)O ZINC000563264197 328003916 /nfs/dbraw/zinc/00/39/16/328003916.db2.gz OTGFRJUJQDTXHU-SUNYJGFJSA-N 0 1 287.378 3.907 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)Nc2cccc3[nH]ccc32)c1 ZINC000339261879 328003967 /nfs/dbraw/zinc/00/39/67/328003967.db2.gz DNPCKJQRQGEDON-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN Cc1cccc(C)c1CN1CCCC[C@H]1c1ncc[nH]1 ZINC000152049386 328008801 /nfs/dbraw/zinc/00/88/01/328008801.db2.gz RNITUTOBZVQOEC-INIZCTEOSA-N 0 1 269.392 3.754 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](CC2CCCCC2)C2CC2)s1 ZINC000563278388 328006735 /nfs/dbraw/zinc/00/67/35/328006735.db2.gz RODZYRMVRGNVDZ-UHFFFAOYSA-N 0 1 293.432 3.991 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000563276849 328006850 /nfs/dbraw/zinc/00/68/50/328006850.db2.gz DQHBVTQIKVBEMV-IAGOWNOFSA-N 0 1 289.419 3.755 20 0 CHADMN C[N@@H+](CCC1CCCCC1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000563278763 328006942 /nfs/dbraw/zinc/00/69/42/328006942.db2.gz MJRPUYWYPXITED-INIZCTEOSA-N 0 1 293.382 3.854 20 0 CHADMN Cc1ccc(C)c([C@@H]2CCCN2Cc2nccc(C)n2)c1 ZINC000339662092 328012670 /nfs/dbraw/zinc/01/26/70/328012670.db2.gz GLTZASXOBJFPSR-KRWDZBQOSA-N 0 1 281.403 3.739 20 0 CHADMN Cc1ccnc(NCCc2ccc(OC(C)C)cc2)c1 ZINC000531587611 328016590 /nfs/dbraw/zinc/01/65/90/328016590.db2.gz SIUNPYPWVJBRHG-UHFFFAOYSA-N 0 1 270.376 3.832 20 0 CHADMN COCC1(NCc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000531698195 328025475 /nfs/dbraw/zinc/02/54/75/328025475.db2.gz LIPGNURHABQHGW-UHFFFAOYSA-N 0 1 291.778 3.869 20 0 CHADMN CCn1nc(C)c(CN[C@@H](C)c2cc(F)cc(F)c2)c1C ZINC000531709655 328027307 /nfs/dbraw/zinc/02/73/07/328027307.db2.gz MNPHUTAETHKATM-JTQLQIEISA-N 0 1 293.361 3.649 20 0 CHADMN CCc1cc(CN[C@@H](C)c2ccc3c(c2)CCCC3)on1 ZINC000531721264 328028774 /nfs/dbraw/zinc/02/87/74/328028774.db2.gz XAQPTIAACOLFSA-ZDUSSCGKSA-N 0 1 284.403 3.967 20 0 CHADMN COc1ccc(CN[C@H](C)c2oc3ccccc3c2C)cn1 ZINC000124096117 328031116 /nfs/dbraw/zinc/03/11/16/328031116.db2.gz DNZORFHPUCABBD-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN Fc1ccc(CN[C@H]2CCc3c2cccc3F)c(F)c1 ZINC000110058889 328031815 /nfs/dbraw/zinc/03/18/15/328031815.db2.gz CUMQFZRCFROBIG-INIZCTEOSA-N 0 1 277.289 3.881 20 0 CHADMN C[C@H](NCC1(c2ccc(F)cc2)CC1)c1cscn1 ZINC000534328719 328046072 /nfs/dbraw/zinc/04/60/72/328046072.db2.gz KREDOWNIRKSPLN-NSHDSACASA-N 0 1 276.380 3.665 20 0 CHADMN CC1(C)CN(CCCOc2ccc3ccccc3c2)CCO1 ZINC000303167841 328054874 /nfs/dbraw/zinc/05/48/74/328054874.db2.gz ISZKEFZLXHPPGV-UHFFFAOYSA-N 0 1 299.414 3.720 20 0 CHADMN Fc1ccc(CSCc2n[nH]c(C3CC3)n2)cc1Cl ZINC000193733626 329061536 /nfs/dbraw/zinc/06/15/36/329061536.db2.gz UHODDKXBNKXWEQ-UHFFFAOYSA-N 0 1 297.786 3.908 20 0 CHADMN CC(C)C[C@@H](N[C@@H](C)c1ncc[nH]1)c1ccccc1 ZINC000139014942 328101499 /nfs/dbraw/zinc/10/14/99/328101499.db2.gz FQIQKCYPHCKEIG-DZGCQCFKSA-N 0 1 257.381 3.848 20 0 CHADMN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1cc(C)ccc1F ZINC000571365540 328116980 /nfs/dbraw/zinc/11/69/80/328116980.db2.gz OHDZFRMHUYRZNB-MRXNPFEDSA-N 0 1 287.382 3.811 20 0 CHADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000571410355 328120096 /nfs/dbraw/zinc/12/00/96/328120096.db2.gz RXJMMGXIXUEJCU-PKOBYXMFSA-N 0 1 299.414 3.943 20 0 CHADMN Cc1ccc(F)cc1CN[C@H]1c2ccccc2O[C@@H]1C ZINC000571440910 328122191 /nfs/dbraw/zinc/12/21/91/328122191.db2.gz NXMWDQDFLCIFPB-SJKOYZFVSA-N 0 1 271.335 3.746 20 0 CHADMN CN(CCCOc1ccccc1)Cc1ccc(Cl)cn1 ZINC000571510523 328129415 /nfs/dbraw/zinc/12/94/15/328129415.db2.gz ZPNVQRJVGZTHTL-UHFFFAOYSA-N 0 1 290.794 3.636 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H](C)c1cc2n(n1)CCC2)C1CC1 ZINC000414112694 328152895 /nfs/dbraw/zinc/15/28/95/328152895.db2.gz KABJBGZSYZEZOR-IFXJQAMLSA-N 0 1 295.430 3.940 20 0 CHADMN Cc1occc1CN[C@@H]1CCCc2ccc(F)cc21 ZINC000414442727 328170922 /nfs/dbraw/zinc/17/09/22/328170922.db2.gz HKWSTMYYQUUURK-MRXNPFEDSA-N 0 1 259.324 3.894 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN2CCC(c3ccncn3)CC2)o1 ZINC000414470848 328184390 /nfs/dbraw/zinc/18/43/90/328184390.db2.gz NNKRQFMOVXFKPL-XJKSGUPXSA-N 0 1 297.402 3.573 20 0 CHADMN Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC000571648730 328194497 /nfs/dbraw/zinc/19/44/97/328194497.db2.gz DJQQMTRLVVEATE-OAHLLOKOSA-N 0 1 297.398 3.756 20 0 CHADMN C[C@H](NCCCO[C@@H](C)c1ccccc1)c1cscn1 ZINC000271136668 328194942 /nfs/dbraw/zinc/19/49/42/328194942.db2.gz NGSAAOJKHFAPQW-KBPBESRZSA-N 0 1 290.432 3.962 20 0 CHADMN Fc1ccc(CN[C@@H]2C[C@H]2c2ccco2)c(Cl)c1 ZINC000414596095 328199579 /nfs/dbraw/zinc/19/95/79/328199579.db2.gz UILFZICMBOYYSB-DGCLKSJQSA-N 0 1 265.715 3.718 20 0 CHADMN Cc1oc2ccccc2c1-c1nc([C@H](N)CC(C)C)no1 ZINC000414613802 328202098 /nfs/dbraw/zinc/20/20/98/328202098.db2.gz GIKRABHNSNYTQG-GFCCVEGCSA-N 0 1 285.347 3.837 20 0 CHADMN CO[C@H](C)c1nc(CN(C)[C@H]2CCC[C@H](C)C2)cs1 ZINC000175095743 329162816 /nfs/dbraw/zinc/16/28/16/329162816.db2.gz SIANJEIVHQHXMK-SCRDCRAPSA-N 0 1 282.453 3.861 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccccn2)cc1C ZINC000273041256 328203363 /nfs/dbraw/zinc/20/33/63/328203363.db2.gz HTQVYILXWOCNPV-KGLIPLIRSA-N 0 1 270.376 3.810 20 0 CHADMN CCN(Cc1ccc(OC)nc1)[C@@H](C)c1ccc(F)cc1 ZINC000437593474 328208342 /nfs/dbraw/zinc/20/83/42/328208342.db2.gz UMBJLOSFYARZTH-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN CO[C@H](C)c1nc(CN2CCCC[C@@H]2C(C)C)cs1 ZINC000175242040 329166858 /nfs/dbraw/zinc/16/68/58/329166858.db2.gz IKZUNOMJRBFXIC-TZMCWYRMSA-N 0 1 282.453 3.861 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1csc(Cl)c1Cl ZINC000414684053 328214199 /nfs/dbraw/zinc/21/41/99/328214199.db2.gz QGDQRYHKEDPBKG-SSDOTTSWSA-N 0 1 296.219 3.740 20 0 CHADMN COC(=O)c1ccc([C@@H](C)N[C@H](C)c2cccs2)o1 ZINC000221211527 329210255 /nfs/dbraw/zinc/21/02/55/329210255.db2.gz WORKNJRZIUXMOG-NXEZZACHSA-N 0 1 279.361 3.540 20 0 CHADMN Fc1ccc(CN[C@H](c2cccnc2)C2CC2)c(F)c1 ZINC000340104300 328240475 /nfs/dbraw/zinc/24/04/75/328240475.db2.gz LFKNAIDTSRVJLF-INIZCTEOSA-N 0 1 274.314 3.601 20 0 CHADMN Cc1noc([C@H]2CCCN2CCCCc2ccccc2)n1 ZINC000285509058 328247864 /nfs/dbraw/zinc/24/78/64/328247864.db2.gz DEFRIVAUFSJYJZ-MRXNPFEDSA-N 0 1 285.391 3.538 20 0 CHADMN Fc1cc(CN[C@H]2CCCc3ccccc32)c(F)cn1 ZINC000290103375 328257964 /nfs/dbraw/zinc/25/79/64/328257964.db2.gz NQQDUKFPWIVHMZ-HNNXBMFYSA-N 0 1 274.314 3.527 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@@H]1CN(C)Cc2ccccc21 ZINC000366701265 328282654 /nfs/dbraw/zinc/28/26/54/328282654.db2.gz YONDLPXIXAHWHG-RDTXWAMCSA-N 0 1 296.414 3.533 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H]1CN(C)Cc2ccccc21 ZINC000366701262 328282807 /nfs/dbraw/zinc/28/28/07/328282807.db2.gz YONDLPXIXAHWHG-KBXCAEBGSA-N 0 1 296.414 3.533 20 0 CHADMN CC[C@@H](NCc1cccnc1N(C)C)c1cccc(F)c1 ZINC000187767012 328301957 /nfs/dbraw/zinc/30/19/57/328301957.db2.gz OBONEAFYJCUSPT-MRXNPFEDSA-N 0 1 287.382 3.528 20 0 CHADMN Cc1ccccc1CN[C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000582145010 328301593 /nfs/dbraw/zinc/30/15/93/328301593.db2.gz LVVFYVMKIKVAQT-SJCJKPOMSA-N 0 1 271.335 3.746 20 0 CHADMN CCOc1cccc(NC(=O)c2ccc(O)c(Cl)c2)c1 ZINC000048481881 328308799 /nfs/dbraw/zinc/30/87/99/328308799.db2.gz VLAYTDSXJKDGQD-UHFFFAOYSA-N 0 1 291.734 3.697 20 0 CHADMN CN(Cc1cc(Cl)ccc1Cl)[C@@H]1CCSC1 ZINC000534579296 328311188 /nfs/dbraw/zinc/31/11/88/328311188.db2.gz JYFVIWWUVZKSPS-LLVKDONJSA-N 0 1 276.232 3.931 20 0 CHADMN CC[C@@H](C)N(C)CC(=O)N(CC)c1cccc2ccccc21 ZINC000110796916 328319349 /nfs/dbraw/zinc/31/93/49/328319349.db2.gz OFQVZASIDGYJOG-OAHLLOKOSA-N 0 1 298.430 3.923 20 0 CHADMN CC[C@@H](C)CNc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000531931025 328319589 /nfs/dbraw/zinc/31/95/89/328319589.db2.gz BOBAKLLQWALYRW-OAGGEKHMSA-N 0 1 290.451 3.754 20 0 CHADMN CC[C@@H](C)CNc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000531931025 328319591 /nfs/dbraw/zinc/31/95/91/328319591.db2.gz BOBAKLLQWALYRW-OAGGEKHMSA-N 0 1 290.451 3.754 20 0 CHADMN C[C@H](NC[C@@H]1CCC(C)(C)O1)c1nc2c(s1)CCCC2 ZINC000187869649 328337534 /nfs/dbraw/zinc/33/75/34/328337534.db2.gz XTJLERCAUBBDAT-RYUDHWBXSA-N 0 1 294.464 3.630 20 0 CHADMN CCc1noc([C@@H](C)N2CCC[C@@H](C(C)(C)C)CC2)n1 ZINC000303681285 328357750 /nfs/dbraw/zinc/35/77/50/328357750.db2.gz RXPLQMUQSYWLIF-CHWSQXEVSA-N 0 1 279.428 3.841 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2ccc(Cl)cc2Cl)C[C@@H]1O ZINC000534862458 328365673 /nfs/dbraw/zinc/36/56/73/328365673.db2.gz JGSKAPJRSLAEII-RBZYPMLTSA-N 0 1 288.218 3.757 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)N[C@H](CCO)c1ccccc1 ZINC000531976603 328368746 /nfs/dbraw/zinc/36/87/46/328368746.db2.gz WFCIFBSFRPCHDU-CRAIPNDOSA-N 0 1 299.414 3.778 20 0 CHADMN Oc1ccc(-c2nc(-c3cccc(F)c3)no2)cc1Cl ZINC000111687857 328374523 /nfs/dbraw/zinc/37/45/23/328374523.db2.gz FKNQOMKSPXVHBC-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN CC(C)CCc1noc(-c2ccc(Cl)cc2O)n1 ZINC000111689241 328374921 /nfs/dbraw/zinc/37/49/21/328374921.db2.gz KFOZBECZZXVUSD-UHFFFAOYSA-N 0 1 266.728 3.684 20 0 CHADMN CCN(Cc1csc(NC(C)=O)n1)[C@H]1CCCC[C@@H]1C ZINC000120062866 328377400 /nfs/dbraw/zinc/37/74/00/328377400.db2.gz KTGURGXOPYBXMP-FZMZJTMJSA-N 0 1 295.452 3.502 20 0 CHADMN C[C@@H]1C[C@H]1CN(C)Cc1ccccc1Br ZINC000111734788 328378031 /nfs/dbraw/zinc/37/80/31/328378031.db2.gz UGBBZSCKDKOUPH-PWSUYJOCSA-N 0 1 268.198 3.537 20 0 CHADMN c1ccc([C@@H](NCc2nc3ccccc3[nH]2)C2CC2)cc1 ZINC000049956666 328379843 /nfs/dbraw/zinc/37/98/43/328379843.db2.gz KIVJJCNOOJGTCT-GOSISDBHSA-N 0 1 277.371 3.804 20 0 CHADMN CCn1nccc1CN[C@H](C)c1ccc(CC(C)C)cc1 ZINC000125109685 328386606 /nfs/dbraw/zinc/38/66/06/328386606.db2.gz YIEWUVLKKJRYKM-OAHLLOKOSA-N 0 1 285.435 3.952 20 0 CHADMN CC1=C(C)C[C@H](C(=O)Nc2cccc(-c3cn[nH]n3)c2)CC1 ZINC000575319499 335093084 /nfs/dbraw/zinc/09/30/84/335093084.db2.gz VXZDJWMXUFLIQN-CQSZACIVSA-N 0 1 296.374 3.547 20 0 CHADMN CC1(C)CCC[C@@H]1NCc1nc(-c2ccc(F)cc2)no1 ZINC000191291262 328504288 /nfs/dbraw/zinc/50/42/88/328504288.db2.gz BSKGTYFNIUWTIM-ZDUSSCGKSA-N 0 1 289.354 3.544 20 0 CHADMN CC1(C)CC(CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000525859063 328509529 /nfs/dbraw/zinc/50/95/29/328509529.db2.gz INVIOAYHYPQZFZ-HNNXBMFYSA-N 0 1 287.382 3.664 20 0 CHADMN COCc1ccc(CN[C@H]2CSc3ccccc32)cc1 ZINC000344432478 328558023 /nfs/dbraw/zinc/55/80/23/328558023.db2.gz GDQGLHKCOADNRP-INIZCTEOSA-N 0 1 285.412 3.770 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H](c2nccn2C)C2CC2)c1 ZINC000353873261 328567944 /nfs/dbraw/zinc/56/79/44/328567944.db2.gz WRUIVOVRTFYSKX-XJKSGUPXSA-N 0 1 269.392 3.530 20 0 CHADMN COC(=O)c1cc(CN[C@H](C)c2ccc(C)cc2)oc1C ZINC000037770452 326861083 /nfs/dbraw/zinc/86/10/83/326861083.db2.gz UZXREMYRXDJQTL-GFCCVEGCSA-N 0 1 287.359 3.534 20 0 CHADMN COC[C@H](NCc1ccc(C)c(F)c1)c1ccc(F)cc1 ZINC000530729698 326888124 /nfs/dbraw/zinc/88/81/24/326888124.db2.gz RWRYDAIRRKINDL-KRWDZBQOSA-N 0 1 291.341 3.751 20 0 CHADMN Cc1ccc(-c2ccc(CN3CCSCC3)o2)cc1 ZINC000506354517 332770942 /nfs/dbraw/zinc/77/09/42/332770942.db2.gz BSMSHZCVKLVKCQ-UHFFFAOYSA-N 0 1 273.401 3.804 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnccn1)c1ccc(C)cc1 ZINC000070478537 326917360 /nfs/dbraw/zinc/91/73/60/326917360.db2.gz RRWUTPJPRHIGRE-DZGCQCFKSA-N 0 1 255.365 3.587 20 0 CHADMN COc1ccc([C@@H](C)NCc2cnc(C)s2)cc1Cl ZINC000123669754 326935092 /nfs/dbraw/zinc/93/50/92/326935092.db2.gz WUUZQUJBZDRASQ-SECBINFHSA-N 0 1 296.823 3.964 20 0 CHADMN Clc1cc(CNCCc2ccco2)c(Cl)s1 ZINC000312684299 326940755 /nfs/dbraw/zinc/94/07/55/326940755.db2.gz NLOLHCIRVAZVAF-UHFFFAOYSA-N 0 1 276.188 3.980 20 0 CHADMN CCn1c(CNc2nccn2CC(C)C)nc2ccccc21 ZINC000556809685 326967183 /nfs/dbraw/zinc/96/71/83/326967183.db2.gz APYQKQBJZLTKAO-UHFFFAOYSA-N 0 1 297.406 3.521 20 0 CHADMN CC(C)(C)CC[N@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000568654523 327008941 /nfs/dbraw/zinc/00/89/41/327008941.db2.gz KIUYAGPLADLQMK-HUUCEWRRSA-N 0 1 281.440 3.778 20 0 CHADMN Cc1nc(C2(NCCc3cccc(C)c3)CCCCC2)no1 ZINC000449119491 327018844 /nfs/dbraw/zinc/01/88/44/327018844.db2.gz ZPKXLJIQYQTYFV-UHFFFAOYSA-N 0 1 299.418 3.678 20 0 CHADMN CCc1ccc([C@@H](N[C@H]2CCn3ccnc32)C(C)C)cc1 ZINC000557930328 327036285 /nfs/dbraw/zinc/03/62/85/327036285.db2.gz GYECXGCQUKZXKI-IRXDYDNUSA-N 0 1 283.419 3.877 20 0 CHADMN Clc1ccc(C2(NCc3cnn4ccccc34)CC2)cc1 ZINC000584189784 327059670 /nfs/dbraw/zinc/05/96/70/327059670.db2.gz TVDMMOKNVYKFHZ-UHFFFAOYSA-N 0 1 297.789 3.767 20 0 CHADMN C[C@H]1CCCN1Cc1cc(F)c(C(F)(F)F)cc1F ZINC000558097879 327073637 /nfs/dbraw/zinc/07/36/37/327073637.db2.gz ARLZESSNAHJFTD-QMMMGPOBSA-N 0 1 279.252 3.968 20 0 CHADMN CCOC1CC([N@@H+](C)Cc2cc3ccccc3s2)C1 ZINC000558143088 327075848 /nfs/dbraw/zinc/07/58/48/327075848.db2.gz KDZWLFWKZRESCX-UHFFFAOYSA-N 0 1 275.417 3.901 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Cl)cn2)CC(C)(C)C1 ZINC000558168927 327077363 /nfs/dbraw/zinc/07/73/63/327077363.db2.gz BXSHXJQUSVDCMT-NSHDSACASA-N 0 1 252.789 3.603 20 0 CHADMN CC[C@@H](C)CN(C)Cc1ncc(Cl)cc1Cl ZINC000558228586 327079667 /nfs/dbraw/zinc/07/96/67/327079667.db2.gz KWUADIKBLVLYTH-SECBINFHSA-N 0 1 261.196 3.866 20 0 CHADMN COC[C@@H](N[C@H](C)c1c(F)cccc1Cl)C(C)C ZINC000394070503 327079885 /nfs/dbraw/zinc/07/98/85/327079885.db2.gz RFOUGYHCBGHJAN-ZWNOBZJWSA-N 0 1 273.779 3.801 20 0 CHADMN COc1ccc(Cl)cc1[C@@H](C)N[C@H]1C[C@@H]1C(F)F ZINC000558257497 327083481 /nfs/dbraw/zinc/08/34/81/327083481.db2.gz QDUBVOJJYUWXCR-GGVZMXCHSA-N 0 1 275.726 3.653 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H]1CCc3cc(F)ccc31)CO2 ZINC000537958105 327089031 /nfs/dbraw/zinc/08/90/31/327089031.db2.gz HROYXECCZVDVEO-IRXDYDNUSA-N 0 1 283.346 3.845 20 0 CHADMN CCC[C@H](C)[C@H](CO)NCc1csc(C2CCCC2)n1 ZINC000577180424 327089406 /nfs/dbraw/zinc/08/94/06/327089406.db2.gz FYYMWNBVPWSGIK-WFASDCNBSA-N 0 1 296.480 3.687 20 0 CHADMN C[C@@H](NCc1nnc(C2CC2)o1)[C@H](C)C1CCCCC1 ZINC000558403190 327091262 /nfs/dbraw/zinc/09/12/62/327091262.db2.gz SSRLCZUBAQDWCB-NWDGAFQWSA-N 0 1 277.412 3.642 20 0 CHADMN C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(Cl)cs1 ZINC000558410778 327092043 /nfs/dbraw/zinc/09/20/43/327092043.db2.gz CCSLWVWYHKLKEF-AAEUAGOBSA-N 0 1 287.856 3.917 20 0 CHADMN CCN(C(=O)c1cc(-c2ccccc2)[nH]n1)[C@@H](C)C(C)C ZINC000558424893 327093471 /nfs/dbraw/zinc/09/34/71/327093471.db2.gz IKVYYLWMRINFFJ-ZDUSSCGKSA-N 0 1 285.391 3.583 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000558470204 327096683 /nfs/dbraw/zinc/09/66/83/327096683.db2.gz ORUOLPZQNWUYCA-UHOFOFEASA-N 0 1 277.383 3.776 20 0 CHADMN CC[C@@H](C)C[N@@H+](CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC000577232338 327104697 /nfs/dbraw/zinc/10/46/97/327104697.db2.gz AAMHZQWSROVWTA-UKRRQHHQSA-N 0 1 263.381 3.570 20 0 CHADMN CC[C@H](C)C[N@@H+](CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000577232339 327104809 /nfs/dbraw/zinc/10/48/09/327104809.db2.gz AAMHZQWSROVWTA-ZFWWWQNUSA-N 0 1 263.381 3.570 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@H](c2cccnc2)C1 ZINC000564919503 327147097 /nfs/dbraw/zinc/14/70/97/327147097.db2.gz CUHGJDFLUOLZIH-ZFWWWQNUSA-N 0 1 299.418 3.918 20 0 CHADMN C[C@@H](CN1CCOC[C@H]1CC(F)F)C1CCCCC1 ZINC000559243015 327149368 /nfs/dbraw/zinc/14/93/68/327149368.db2.gz GUXRDBNBQCHOQG-GXTWGEPZSA-N 0 1 275.383 3.559 20 0 CHADMN Cc1cc(C)c([C@H](C)N2CC[C@H](C)[S@](=O)CC2)c(C)c1 ZINC000559281656 327154621 /nfs/dbraw/zinc/15/46/21/327154621.db2.gz LCUHYOAIZQLTCE-TWOQFEAHSA-N 0 1 293.476 3.516 20 0 CHADMN CN(Cc1csc(Cc2ccccc2)n1)C(C)(C)C ZINC000566183684 327158616 /nfs/dbraw/zinc/15/86/16/327158616.db2.gz CMTQQKIVQDZQSL-UHFFFAOYSA-N 0 1 274.433 3.964 20 0 CHADMN C[C@@H](N[C@H]1CCC(C)(C)c2ccccc21)c1cnccn1 ZINC000089516962 327171083 /nfs/dbraw/zinc/17/10/83/327171083.db2.gz XGMOSNHITDACJX-CJNGLKHVSA-N 0 1 281.403 3.940 20 0 CHADMN C[C@@H]1CC[C@H](NCc2noc(-c3cccs3)n2)C[C@H]1C ZINC000569434578 327176802 /nfs/dbraw/zinc/17/68/02/327176802.db2.gz WYLDFXSBBIRUKF-UTUOFQBUSA-N 0 1 291.420 3.712 20 0 CHADMN CCCc1csc(NC(=O)c2ccc(O)c(Cl)c2)n1 ZINC000092261747 327191483 /nfs/dbraw/zinc/19/14/83/327191483.db2.gz YMFZCWHIMIOOJF-UHFFFAOYSA-N 0 1 296.779 3.707 20 0 CHADMN CC(C)C[C@@H](C)C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000410415964 327192800 /nfs/dbraw/zinc/19/28/00/327192800.db2.gz VPAYKGIAJOXFQX-KGLIPLIRSA-N 0 1 267.438 3.804 20 0 CHADMN CC(C)C[C@@H](C)CN1CCO[C@H](c2cccs2)C1 ZINC000410415964 327192801 /nfs/dbraw/zinc/19/28/01/327192801.db2.gz VPAYKGIAJOXFQX-KGLIPLIRSA-N 0 1 267.438 3.804 20 0 CHADMN Cc1cc(CN2Cc3ccccc3C2)cc(C)c1O ZINC000133787246 327199591 /nfs/dbraw/zinc/19/95/91/327199591.db2.gz JNUAFANVRQIYSU-UHFFFAOYSA-N 0 1 253.345 3.525 20 0 CHADMN CCCc1csc(CN(C)CCc2ccc(F)cc2)n1 ZINC000426410860 327199998 /nfs/dbraw/zinc/19/99/98/327199998.db2.gz KAUVNXJUBCJFQR-UHFFFAOYSA-N 0 1 292.423 3.909 20 0 CHADMN COC1(CCN(C)[C@H](C)c2c(F)cccc2F)CCC1 ZINC000569593518 327203580 /nfs/dbraw/zinc/20/35/80/327203580.db2.gz OZYFWSLAJRQWNL-GFCCVEGCSA-N 0 1 283.362 3.917 20 0 CHADMN Cc1cnc(C(=O)Nc2c(C)cccc2C(C)C)c(O)c1 ZINC000427259300 327207922 /nfs/dbraw/zinc/20/79/22/327207922.db2.gz ZCWAKBPZYGZEIY-UHFFFAOYSA-N 0 1 284.359 3.780 20 0 CHADMN Cc1cc(F)ccc1NCc1ccc2nc[nH]c2c1 ZINC000531011633 327215269 /nfs/dbraw/zinc/21/52/69/327215269.db2.gz TWBQZQDICXNSLG-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN FC(F)(F)CCCCN1CC=C(C(F)(F)F)CC1 ZINC000533835484 327221006 /nfs/dbraw/zinc/22/10/06/327221006.db2.gz YSYNACUDQUNTOX-UHFFFAOYSA-N 0 1 275.236 3.913 20 0 CHADMN CCOC[C@@H]1CCN(Cc2cccc(Cl)c2Cl)C1 ZINC000093839394 327245784 /nfs/dbraw/zinc/24/57/84/327245784.db2.gz GAKWJFSUDQSUSK-LLVKDONJSA-N 0 1 288.218 3.852 20 0 CHADMN CC(C)[C@@H]1CN(Cc2cccc(F)c2Cl)CCCO1 ZINC000559498580 327249224 /nfs/dbraw/zinc/24/92/24/327249224.db2.gz UMTZFJHEZSMWMN-AWEZNQCLSA-N 0 1 285.790 3.726 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@H]1CCC[C@H]1F ZINC000559918623 327271302 /nfs/dbraw/zinc/27/13/02/327271302.db2.gz UVEPPWYMQQFQDY-BNOWGMLFSA-N 0 1 251.345 3.627 20 0 CHADMN CCn1c2ccccc2nc1CN1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000560133728 327285636 /nfs/dbraw/zinc/28/56/36/327285636.db2.gz WFJXUXXDUMAVBR-DNVCBOLYSA-N 0 1 295.430 3.677 20 0 CHADMN O=C(CCC1CC1)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000115043934 327298644 /nfs/dbraw/zinc/29/86/44/327298644.db2.gz WFYWKHFFVDBPEV-HNNXBMFYSA-N 0 1 299.374 3.543 20 0 CHADMN Clc1ccccc1OCCN1CCC[C@H]1c1ccc[nH]1 ZINC000097491831 327326756 /nfs/dbraw/zinc/32/67/56/327326756.db2.gz SBBXKXQYJINWIV-HNNXBMFYSA-N 0 1 290.794 3.884 20 0 CHADMN [O-]c1ccc(F)c(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1F ZINC000560606729 327330054 /nfs/dbraw/zinc/33/00/54/327330054.db2.gz SFZKEOFIMAVAMG-STQMWFEESA-N 0 1 289.325 3.564 20 0 CHADMN CC[C@H]1CCCC[N@H+]1CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000574406210 327330135 /nfs/dbraw/zinc/33/01/35/327330135.db2.gz JPCVNTNTAKHSLA-JKSUJKDBSA-N 0 1 275.392 3.509 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1Cl ZINC000566358758 327334790 /nfs/dbraw/zinc/33/47/90/327334790.db2.gz MBTFFRWWKTWTBM-IUODEOHRSA-N 0 1 293.794 3.803 20 0 CHADMN COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000262146497 327339982 /nfs/dbraw/zinc/33/99/82/327339982.db2.gz MVEIDRVOENWOJB-CYBMUJFWSA-N 0 1 299.370 3.586 20 0 CHADMN CC1(C)CCC(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])CC1 ZINC000261802692 327345621 /nfs/dbraw/zinc/34/56/21/327345621.db2.gz YXUSACLOGJEGFQ-OAGGEKHMSA-N 0 1 293.451 3.921 20 0 CHADMN C[C@@H](CN1CCC[C@H]1CF)c1cccc(Cl)c1 ZINC000561063781 327362584 /nfs/dbraw/zinc/36/25/84/327362584.db2.gz UCLBXYZDPSRUOY-FZMZJTMJSA-N 0 1 255.764 3.877 20 0 CHADMN CC(C)(C)CC(C)(C)NC(=O)c1n[nH]c2ccccc21 ZINC000070287141 327365348 /nfs/dbraw/zinc/36/53/48/327365348.db2.gz JZYAQWHWTCFYDN-UHFFFAOYSA-N 0 1 273.380 3.508 20 0 CHADMN CCCC[C@H](C)N(CCCC)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000583450254 327373415 /nfs/dbraw/zinc/37/34/15/327373415.db2.gz JURDMKPJBWIPBK-GJZGRUSLSA-N 0 1 293.455 3.796 20 0 CHADMN C[C@H](N[C@H](c1nccn1C)c1ccccc1)[C@H]1CC1(C)C ZINC000561436540 327394815 /nfs/dbraw/zinc/39/48/15/327394815.db2.gz JOHKCNJNSJFAHM-IMJJTQAJSA-N 0 1 283.419 3.534 20 0 CHADMN COc1cccc(C2(NCc3ccc(F)c(C)c3)CC2)c1 ZINC000150899910 327396766 /nfs/dbraw/zinc/39/67/66/327396766.db2.gz XYQWSDBDGNQXPN-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN C[C@@H](NCc1cnn(C)c1)c1ccc(-c2ccccc2)o1 ZINC000151156666 327447175 /nfs/dbraw/zinc/44/71/75/327447175.db2.gz HDILKLOTQONTQO-CYBMUJFWSA-N 0 1 281.359 3.531 20 0 CHADMN Cc1ccc(-c2nnc([C@@H](C)N[C@H]3CCC3(C)C)o2)cc1 ZINC000562293689 327464777 /nfs/dbraw/zinc/46/47/77/327464777.db2.gz JZDASERLJAWUJI-OCCSQVGLSA-N 0 1 285.391 3.884 20 0 CHADMN CCc1ccc(CN[C@H]2CCc3c2cccc3OC)o1 ZINC000151365404 327467439 /nfs/dbraw/zinc/46/74/39/327467439.db2.gz HOTTYDUPAIRYTA-INIZCTEOSA-N 0 1 271.360 3.628 20 0 CHADMN CCOCc1ccccc1CNCc1cccc(C)c1F ZINC000294850218 327575015 /nfs/dbraw/zinc/57/50/15/327575015.db2.gz UVSLTKPDSFASJD-UHFFFAOYSA-N 0 1 287.378 3.960 20 0 CHADMN CCc1ccc([C@@H](CO)N[C@@H](C)c2ncccc2CC)cc1 ZINC000507485600 332809184 /nfs/dbraw/zinc/80/91/84/332809184.db2.gz MKQBMFDUQXHRKS-KBXCAEBGSA-N 0 1 298.430 3.591 20 0 CHADMN COCC1(C)CCN(Cc2cc(F)ccc2Cl)CC1 ZINC000526083178 328608154 /nfs/dbraw/zinc/60/81/54/328608154.db2.gz GWYORGKLTSMNEH-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cscn1 ZINC000535777935 328630996 /nfs/dbraw/zinc/63/09/96/328630996.db2.gz UCDQKIAKSXSOGY-GMXVVIOVSA-N 0 1 270.467 3.858 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccncn2)c(C)c1 ZINC000395807910 328760833 /nfs/dbraw/zinc/76/08/33/328760833.db2.gz KHEOONQMDQOLHG-KBPBESRZSA-N 0 1 255.365 3.505 20 0 CHADMN CC(C)c1csc(NC(=O)c2ccc(Cl)cc2O)n1 ZINC000042306631 328764838 /nfs/dbraw/zinc/76/48/38/328764838.db2.gz NCIUBFYYTANQSU-UHFFFAOYSA-N 0 1 296.779 3.878 20 0 CHADMN Cc1cccc(CN(C)C(=O)c2ccc(O)c(Cl)c2)c1 ZINC000042354528 328766872 /nfs/dbraw/zinc/76/68/72/328766872.db2.gz PJGFGNAFZBMUJO-UHFFFAOYSA-N 0 1 289.762 3.626 20 0 CHADMN Cc1ccc(C)c([C@@H](C)NCc2cn3ccsc3n2)c1 ZINC000532476211 328782847 /nfs/dbraw/zinc/78/28/47/328782847.db2.gz KTNVZNLOHRYCQX-CYBMUJFWSA-N 0 1 285.416 3.863 20 0 CHADMN CC[C@H](N[C@H](C)c1ccncn1)c1cccc(Cl)c1 ZINC000395960655 328791164 /nfs/dbraw/zinc/79/11/64/328791164.db2.gz IRZTTYSPXNZVDJ-RISCZKNCSA-N 0 1 275.783 3.932 20 0 CHADMN CSc1cc(CN[C@@H](C)c2cc(F)cc(F)c2)ccn1 ZINC000357858990 328877628 /nfs/dbraw/zinc/87/76/28/328877628.db2.gz YDPWXSODCUXXKQ-JTQLQIEISA-N 0 1 294.370 3.933 20 0 CHADMN Cc1nc(C2(NC[C@@H]3CCC[C@@H](C)C3)CCCCC2)no1 ZINC000507893210 332829235 /nfs/dbraw/zinc/82/92/35/332829235.db2.gz XEGHPPGFMQSAFD-UKRRQHHQSA-N 0 1 291.439 3.953 20 0 CHADMN c1csc(-c2nc(CN3CCC[C@H]3C3CC3)co2)c1 ZINC000377532791 329017691 /nfs/dbraw/zinc/01/76/91/329017691.db2.gz BFACFXNQIYFVNL-ZDUSSCGKSA-N 0 1 274.389 3.778 20 0 CHADMN Cc1cc(CN[C@H]2c3ccccc3O[C@@H]2C)cc(C)c1O ZINC000377921935 329034812 /nfs/dbraw/zinc/03/48/12/329034812.db2.gz TXNKDIACYJBAKZ-CXAGYDPISA-N 0 1 283.371 3.621 20 0 CHADMN COc1cccc(CN(C)[C@@H](C)c2ccc(C)cc2)n1 ZINC000171859510 329080683 /nfs/dbraw/zinc/08/06/83/329080683.db2.gz BYPYLUITPLMZNF-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN C[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)c1ccncc1 ZINC000020121124 329086900 /nfs/dbraw/zinc/08/69/00/329086900.db2.gz JTUYBCHNCLXECX-HUBLWGQQSA-N 0 1 256.349 3.649 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])CC1CCCC1 ZINC000582616953 329118364 /nfs/dbraw/zinc/11/83/64/329118364.db2.gz JIRFTTQXSYCUDO-INIZCTEOSA-N 0 1 275.392 3.715 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](Cc1ccccc1C(=O)[O-])C1CC1 ZINC000582730265 329132024 /nfs/dbraw/zinc/13/20/24/329132024.db2.gz MMQWXPNWAVEQCY-GFCCVEGCSA-N 0 1 285.343 3.703 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](Cc1ccccc1C(=O)[O-])C1CC1 ZINC000582730267 329132039 /nfs/dbraw/zinc/13/20/39/329132039.db2.gz MMQWXPNWAVEQCY-LBPRGKRZSA-N 0 1 285.343 3.703 20 0 CHADMN COc1ccccc1CN1CC[C@](F)(c2ccccc2)C1 ZINC000582739873 329134564 /nfs/dbraw/zinc/13/45/64/329134564.db2.gz XSKZZRGZPMJUDB-GOSISDBHSA-N 0 1 285.362 3.766 20 0 CHADMN CCn1ccnc1CN1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000172942630 329141057 /nfs/dbraw/zinc/14/10/57/329141057.db2.gz LQDSDCSCMUIFNW-WBVHZDCISA-N 0 1 283.419 3.529 20 0 CHADMN Cc1cnc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)o1 ZINC000173203009 329143706 /nfs/dbraw/zinc/14/37/06/329143706.db2.gz MJYCDLAYWYOLNG-CYBMUJFWSA-N 0 1 297.358 3.504 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1Cc1csc(NC(C)=O)n1 ZINC000173711082 329151150 /nfs/dbraw/zinc/15/11/50/329151150.db2.gz FCHVLGBKDMQPCI-RISCZKNCSA-N 0 1 295.452 3.502 20 0 CHADMN CCn1cccc1CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000582765767 329154807 /nfs/dbraw/zinc/15/48/07/329154807.db2.gz MXUVGQUFIUVINN-SWLSCSKDSA-N 0 1 258.365 3.514 20 0 CHADMN c1c2ccccc2oc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429241939 329157987 /nfs/dbraw/zinc/15/79/87/329157987.db2.gz ZFHYPKFVJLYPFL-MRXNPFEDSA-N 0 1 285.387 3.681 20 0 CHADMN COc1ccc(CN(C)Cc2cc(C)sc2C)cc1O ZINC000177227607 329182219 /nfs/dbraw/zinc/18/22/19/329182219.db2.gz MJJOVRILSRWZCR-UHFFFAOYSA-N 0 1 291.416 3.711 20 0 CHADMN Cc1ccc(CN(C)[C@H]2CCc3ccc(F)cc32)o1 ZINC000177673144 329189000 /nfs/dbraw/zinc/18/90/00/329189000.db2.gz IEVXPBIXNAOQEA-INIZCTEOSA-N 0 1 259.324 3.846 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1CC[C@H](C)[C@@H]1C ZINC000177882948 329193693 /nfs/dbraw/zinc/19/36/93/329193693.db2.gz WXSBYSBHWJESHR-QWRGUYRKSA-N 0 1 276.405 3.942 20 0 CHADMN CCOc1ccc2c(c1)[C@H](NCc1cccs1)CCO2 ZINC000178244435 329195196 /nfs/dbraw/zinc/19/51/96/329195196.db2.gz ZZJHHOBIZGOYKU-OAHLLOKOSA-N 0 1 289.400 3.760 20 0 CHADMN CCS[C@H](C)c1noc(CN(C)[C@@H]2CCC[C@H](C)C2)n1 ZINC000178304301 329195872 /nfs/dbraw/zinc/19/58/72/329195872.db2.gz NFCGQCRYDWWTKH-YNEHKIRRSA-N 0 1 297.468 3.894 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccco1 ZINC000178123110 329196234 /nfs/dbraw/zinc/19/62/34/329196234.db2.gz FAOMYJXZNODVPP-JQFCIGGWSA-N 0 1 271.360 3.851 20 0 CHADMN C[C@@H]1CCCN(Cc2csc(C3CC3)n2)[C@@H]1C ZINC000179250606 329206887 /nfs/dbraw/zinc/20/68/87/329206887.db2.gz GNSGDFMSCNQNKW-GHMZBOCLSA-N 0 1 250.411 3.641 20 0 CHADMN Cc1cnc(CN2CCC[C@@H](CC(C)C)C2)s1 ZINC000180542862 329220505 /nfs/dbraw/zinc/22/05/05/329220505.db2.gz YUTSGZCXAZMDSY-ZDUSSCGKSA-N 0 1 252.427 3.710 20 0 CHADMN Cc1cc(NCc2nccs2)c2cc(F)ccc2n1 ZINC000180405559 329216049 /nfs/dbraw/zinc/21/60/49/329216049.db2.gz YKEIFKGGIAVSDT-UHFFFAOYSA-N 0 1 273.336 3.751 20 0 CHADMN Cc1cnc(CN2CCC[C@@H]2Cc2cccc(F)c2)s1 ZINC000180438760 329216974 /nfs/dbraw/zinc/21/69/74/329216974.db2.gz MQMQWYMKFBZZML-OAHLLOKOSA-N 0 1 290.407 3.798 20 0 CHADMN C(=C/[C@H]1CCCCCN1Cc1c[nH]cn1)\c1cccs1 ZINC000180843277 329223448 /nfs/dbraw/zinc/22/34/48/329223448.db2.gz BJZZDCZVVBZWRZ-MVGZEHJDSA-N 0 1 287.432 3.929 20 0 CHADMN COC(=O)c1ccc([C@H](C)N[C@@H](C)c2cccs2)o1 ZINC000222456752 329224022 /nfs/dbraw/zinc/22/40/22/329224022.db2.gz WORKNJRZIUXMOG-UWVGGRQHSA-N 0 1 279.361 3.540 20 0 CHADMN CC[C@@H](NCc1cncc(C)c1)c1ccccc1F ZINC000181030115 329225136 /nfs/dbraw/zinc/22/51/36/329225136.db2.gz HSAGGWJYEBBPBZ-MRXNPFEDSA-N 0 1 258.340 3.770 20 0 CHADMN CCCCN(CCCC)Cc1nnc(C2CC2)n1C1CC1 ZINC000181044904 329225481 /nfs/dbraw/zinc/22/54/81/329225481.db2.gz UIBXNZBKSAXBKI-UHFFFAOYSA-N 0 1 290.455 3.893 20 0 CHADMN CCOC[C@@H]1CCC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181112206 329226264 /nfs/dbraw/zinc/22/62/64/329226264.db2.gz HTKPIKSOYFTDBL-UONOGXRCSA-N 0 1 288.391 3.637 20 0 CHADMN C[C@H](N[C@@H]1CCCOc2c(F)cccc21)c1cccnc1 ZINC000181326151 329231429 /nfs/dbraw/zinc/23/14/29/329231429.db2.gz QHSGBVZXAYKNEA-BLLLJJGKSA-N 0 1 286.350 3.785 20 0 CHADMN Cc1cncc(CN[C@H](C)c2cnc3ccsc3c2)c1 ZINC000181834239 329237641 /nfs/dbraw/zinc/23/76/41/329237641.db2.gz FGDRXVZGYCKBPV-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1cncc(CN[C@H](CC(C)C)c2ccccn2)c1 ZINC000181839548 329237689 /nfs/dbraw/zinc/23/76/89/329237689.db2.gz DMVLUKAMEZOKGG-QGZVFWFLSA-N 0 1 269.392 3.662 20 0 CHADMN C[C@@H](N[C@H]1COCc2ccccc21)c1ccsc1 ZINC000225998612 329256379 /nfs/dbraw/zinc/25/63/79/329256379.db2.gz GTKCGVXUHVHFOS-ABAIWWIYSA-N 0 1 259.374 3.670 20 0 CHADMN C[C@@H](NCc1ccno1)c1cc2ccccc2s1 ZINC000230638828 329266555 /nfs/dbraw/zinc/26/65/55/329266555.db2.gz OZPSWYRMUKGZCT-SNVBAGLBSA-N 0 1 258.346 3.740 20 0 CHADMN CC(C)C[C@H]1OCCC[C@@H]1NCc1csc(C2CC2)n1 ZINC000185193634 329267435 /nfs/dbraw/zinc/26/74/35/329267435.db2.gz SOPCAOOUUSYGBP-LSDHHAIUSA-N 0 1 294.464 3.704 20 0 CHADMN CC(C)C[C@@H]1OCCC[C@@H]1NCc1ncc(C(C)C)s1 ZINC000185200286 329267524 /nfs/dbraw/zinc/26/75/24/329267524.db2.gz DFFVDRMSQTUNMF-KBPBESRZSA-N 0 1 296.480 3.950 20 0 CHADMN CC1(C)CC[C@@H]1NCc1ncc(Cl)cc1Cl ZINC000583034495 329305839 /nfs/dbraw/zinc/30/58/39/329305839.db2.gz NVHAQHNBHKWZKF-NSHDSACASA-N 0 1 259.180 3.667 20 0 CHADMN CC1(C[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])CCC1 ZINC000583036235 329306362 /nfs/dbraw/zinc/30/63/62/329306362.db2.gz DYKLBLIKKAZBKK-HUUCEWRRSA-N 0 1 279.424 3.532 20 0 CHADMN O=C([O-])c1occc1C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000583089954 329314129 /nfs/dbraw/zinc/31/41/29/329314129.db2.gz SFPJHVNFXRFXSH-ZDUSSCGKSA-N 0 1 289.331 3.688 20 0 CHADMN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC1CCCC1 ZINC000583095570 329315409 /nfs/dbraw/zinc/31/54/09/329315409.db2.gz NPGSWYSIWYWDQM-HZPDHXFCSA-N 0 1 279.424 3.532 20 0 CHADMN CC(C)Cc1ccc([C@@H](NCc2cnccn2)C2CC2)cc1 ZINC000583129424 329316734 /nfs/dbraw/zinc/31/67/34/329316734.db2.gz GKSZIEJWGKUEFY-LJQANCHMSA-N 0 1 295.430 3.916 20 0 CHADMN CC[C@@H]1[C@H](C)CCN1Cc1csc(C(C)C)n1 ZINC000185601442 329327678 /nfs/dbraw/zinc/32/76/78/329327678.db2.gz DCFAEVIHWFLPBI-DGCLKSJQSA-N 0 1 252.427 3.887 20 0 CHADMN COc1ccc([C@H](C)NCc2ccoc2C)cc1F ZINC000321276779 329339343 /nfs/dbraw/zinc/33/93/43/329339343.db2.gz SIINTTBZSIUOKO-JTQLQIEISA-N 0 1 263.312 3.587 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)c2ccccc2C(F)(F)F)n[nH]1 ZINC000392451007 329341373 /nfs/dbraw/zinc/34/13/73/329341373.db2.gz GSQICSXBDQDBHC-BDAKNGLRSA-N 0 1 298.312 3.544 20 0 CHADMN c1csc([C@H]2CSCCN2CC2CCCCC2)n1 ZINC000186646006 329347068 /nfs/dbraw/zinc/34/70/68/329347068.db2.gz ZDWGQDSGSVKCCN-CYBMUJFWSA-N 0 1 282.478 3.813 20 0 CHADMN COCC1(C)CN(Cc2ccc(OCCC(C)C)cc2)C1 ZINC000459618825 329347987 /nfs/dbraw/zinc/34/79/87/329347987.db2.gz GEYLEXGXNDWGBV-UHFFFAOYSA-N 0 1 291.435 3.580 20 0 CHADMN CCCc1cccc(CN(C)[C@H](C)c2cnn(C)c2)c1 ZINC000187364130 329355566 /nfs/dbraw/zinc/35/55/66/329355566.db2.gz WQKYRDOHCJQANX-CQSZACIVSA-N 0 1 271.408 3.566 20 0 CHADMN COc1cc2c(cc1F)nccc2NCCOC(C)(C)C ZINC000530369009 329363443 /nfs/dbraw/zinc/36/34/43/329363443.db2.gz JBRONQKNSQHKPJ-UHFFFAOYSA-N 0 1 292.354 3.610 20 0 CHADMN Fc1cccc(Cl)c1CNCCC(F)(F)F ZINC000063098648 329366088 /nfs/dbraw/zinc/36/60/88/329366088.db2.gz PNBIHEDYJRKTCQ-UHFFFAOYSA-N 0 1 255.642 3.521 20 0 CHADMN Cc1cccc2c1OCC[C@H]2NCc1cccc(F)c1 ZINC000188876076 329374016 /nfs/dbraw/zinc/37/40/16/329374016.db2.gz GSOGDSNSHVMLOA-MRXNPFEDSA-N 0 1 271.335 3.748 20 0 CHADMN Cc1cccc2c1OCC[C@H]2NCc1ccsc1 ZINC000188876056 329374046 /nfs/dbraw/zinc/37/40/46/329374046.db2.gz KXVRARQDBHYMHB-CQSZACIVSA-N 0 1 259.374 3.670 20 0 CHADMN CCOC[C@H](N[C@H](C)c1csc(C(C)C)n1)C(C)C ZINC000189350944 329380195 /nfs/dbraw/zinc/38/01/95/329380195.db2.gz OFSHFRGDABYHGY-OLZOCXBDSA-N 0 1 284.469 3.978 20 0 CHADMN Cc1nccc(N2C[C@@H]3CCCC[C@@H]3C2)c1Cl ZINC000509050505 332857494 /nfs/dbraw/zinc/85/74/94/332857494.db2.gz DQOWOUJSDLBEHA-TXEJJXNPSA-N 0 1 250.773 3.670 20 0 CHADMN CC(C)CC[C@H]1CCC[C@@H]1NCc1nnc(C(C)C)o1 ZINC000191347499 329412736 /nfs/dbraw/zinc/41/27/36/329412736.db2.gz AXDIJYYPZNRRNA-KGLIPLIRSA-N 0 1 279.428 3.888 20 0 CHADMN CC(C)CCN(CCC(C)C)Cc1cn(C(C)C)nn1 ZINC000583719988 329454494 /nfs/dbraw/zinc/45/44/94/329454494.db2.gz MVMCYFVINSDALI-UHFFFAOYSA-N 0 1 280.460 3.753 20 0 CHADMN Cc1cnc([C@H](C)N2CCC(c3ccccc3F)CC2)cn1 ZINC000583848604 329488053 /nfs/dbraw/zinc/48/80/53/329488053.db2.gz BVGJUECPCNBCBW-AWEZNQCLSA-N 0 1 299.393 3.865 20 0 CHADMN c1csc(-c2cnc(CN3CCCCCC3)o2)c1 ZINC000041646337 329566610 /nfs/dbraw/zinc/56/66/10/329566610.db2.gz NJDYSGJQUQNHLV-UHFFFAOYSA-N 0 1 262.378 3.779 20 0 CHADMN Cc1ccc(CNCc2ccc(Br)cc2)o1 ZINC000042238803 329572036 /nfs/dbraw/zinc/57/20/36/329572036.db2.gz HNMCCYCEJCNTAR-UHFFFAOYSA-N 0 1 280.165 3.640 20 0 CHADMN Cc1cc(N(C)C[C@@H]2CCCOC2)c2cc(F)ccc2n1 ZINC000125168841 329578661 /nfs/dbraw/zinc/57/86/61/329578661.db2.gz WCGRQVSPKZWEAR-ZDUSSCGKSA-N 0 1 288.366 3.545 20 0 CHADMN Cc1ccc(-c2ncc(CN[C@@H](C)c3cccnc3)s2)o1 ZINC000125202476 329579210 /nfs/dbraw/zinc/57/92/10/329579210.db2.gz OCRMNVDBCJZVRF-LBPRGKRZSA-N 0 1 299.399 3.957 20 0 CHADMN COc1cccc([C@H](C)N[C@@H](C)c2cncs2)c1 ZINC000129210703 329615747 /nfs/dbraw/zinc/61/57/47/329615747.db2.gz RXZITUIACRSQSK-QWRGUYRKSA-N 0 1 262.378 3.564 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cccc3cc[nH]c31)CCO2 ZINC000237719642 329694888 /nfs/dbraw/zinc/69/48/88/329694888.db2.gz AMJPECHOQPGWHY-MRXNPFEDSA-N 0 1 296.345 3.920 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(C3CC3)cc2)nc1 ZINC000419343724 329718899 /nfs/dbraw/zinc/71/88/99/329718899.db2.gz RCJPUWNGWJUFML-ZDUSSCGKSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1oncc1CN[C@H](C)c1ccc(C2CC2)cc1 ZINC000419345554 329719081 /nfs/dbraw/zinc/71/90/81/329719081.db2.gz UANOYGFZMIRIDS-LLVKDONJSA-N 0 1 256.349 3.711 20 0 CHADMN c1ncc(CNc2ccc3c(c2)nc2n3CCCCC2)s1 ZINC000419732216 329745292 /nfs/dbraw/zinc/74/52/92/329745292.db2.gz BRHLIDUYQKWHGC-UHFFFAOYSA-N 0 1 298.415 3.831 20 0 CHADMN CCc1ccc(-c2noc([C@@H](C)NCC[C@@H](C)F)n2)cc1 ZINC000509592132 332874907 /nfs/dbraw/zinc/87/49/07/332874907.db2.gz MTMCQLXLRZPLGG-VXGBXAGGSA-N 0 1 291.370 3.698 20 0 CHADMN Cc1ccc(-c2noc([C@@H](C)NCC[C@@H](C)F)n2)cc1F ZINC000509604742 332874989 /nfs/dbraw/zinc/87/49/89/332874989.db2.gz NXTGFFSLWKGPKK-GHMZBOCLSA-N 0 1 295.333 3.583 20 0 CHADMN c1c(CNCc2cccc(C3CC3)c2)nc2ccccn12 ZINC000421331540 329813000 /nfs/dbraw/zinc/81/30/00/329813000.db2.gz KBNIHYPTWOVXSE-UHFFFAOYSA-N 0 1 277.371 3.502 20 0 CHADMN CCc1nc(CNC2CC3(C2)CCCCC3)cs1 ZINC000421330947 329813040 /nfs/dbraw/zinc/81/30/40/329813040.db2.gz YQOLETGAMJUPHV-UHFFFAOYSA-N 0 1 264.438 3.908 20 0 CHADMN Cc1cc(CNCc2ccc([C@@H]3C[C@H]3C)o2)cc(C)n1 ZINC000421375398 329816534 /nfs/dbraw/zinc/81/65/34/329816534.db2.gz IQOHIRSOTLBGSO-BDJLRTHQSA-N 0 1 270.376 3.705 20 0 CHADMN C(NC1CC2(C1)CCCCC2)c1noc2c1CCCC2 ZINC000421359134 329822596 /nfs/dbraw/zinc/82/25/96/329822596.db2.gz VXLFJYIZMFCGBD-UHFFFAOYSA-N 0 1 274.408 3.756 20 0 CHADMN Cc1c(Cl)c(CN[C@H](C)CCC(C)(C)C)nn1C ZINC000421367303 329823926 /nfs/dbraw/zinc/82/39/26/329823926.db2.gz SLWIWWKALCYJTI-SNVBAGLBSA-N 0 1 271.836 3.686 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N[C@H](c2nccn2C)C2CC2)c1 ZINC000353855480 533710342 /nfs/dbraw/zinc/71/03/42/533710342.db2.gz NHTKWLAARKVZCX-PBHICJAKSA-N 0 1 283.419 3.839 20 0 CHADMN Cc1ccc(-c2nnc([C@H](C)N3CCC(C)CC3)o2)cc1 ZINC000248063739 329887263 /nfs/dbraw/zinc/88/72/63/329887263.db2.gz DXYAQQXWXXXAGN-AWEZNQCLSA-N 0 1 285.391 3.838 20 0 CHADMN Cc1cc(CNC[C@H](C)c2ccc(C(F)(F)F)cc2)no1 ZINC000572231412 329958909 /nfs/dbraw/zinc/95/89/09/329958909.db2.gz MLTRHTTWJBKTKE-JTQLQIEISA-N 0 1 298.308 3.895 20 0 CHADMN C[C@@H](NCc1cnc2ccccc2c1)c1ccco1 ZINC000336804541 329959245 /nfs/dbraw/zinc/95/92/45/329959245.db2.gz FGEYPJCFRFBEQW-GFCCVEGCSA-N 0 1 252.317 3.679 20 0 CHADMN CC(C)OC[C@@H](C)NCc1c(Cl)cccc1Cl ZINC000572304930 329971458 /nfs/dbraw/zinc/97/14/58/329971458.db2.gz TUSSKFOIJTUBSJ-SNVBAGLBSA-N 0 1 276.207 3.897 20 0 CHADMN Cc1cc(-c2nc(C3(N)CCCC3)no2)c(Cl)cc1F ZINC000261644672 329974269 /nfs/dbraw/zinc/97/42/69/329974269.db2.gz DOKVFFPXDCNTKT-UHFFFAOYSA-N 0 1 295.745 3.566 20 0 CHADMN C[C@@H]1CC(CC[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C[C@@H](C)C1 ZINC000262223507 330001931 /nfs/dbraw/zinc/00/19/31/330001931.db2.gz VRRFOQCQJXMTGY-ILXVDBEPSA-N 0 1 293.451 3.636 20 0 CHADMN COCCOCCN([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000079400304 330033576 /nfs/dbraw/zinc/03/35/76/330033576.db2.gz BYAOEJNTIQZNMJ-ZDUSSCGKSA-N 0 1 297.826 3.528 20 0 CHADMN C[C@@H]1[C@H](C(=O)[O-])CCC[N@H+]1Cc1cc2ccccc2s1 ZINC000263051918 330041046 /nfs/dbraw/zinc/04/10/46/330041046.db2.gz KYUGNYSYELWQHG-BXUZGUMPSA-N 0 1 289.400 3.586 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000263300018 330052024 /nfs/dbraw/zinc/05/20/24/330052024.db2.gz GKWREIHENNELAB-IJEWVQPXSA-N 0 1 281.440 3.778 20 0 CHADMN C[C@H](C[N@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C)c1cccc(Cl)c1 ZINC000263336206 330052388 /nfs/dbraw/zinc/05/23/88/330052388.db2.gz MMQORZJTMNHJJI-MBNYWOFBSA-N 0 1 295.810 3.629 20 0 CHADMN Cc1cc([NH+](C)C)cc(C)c1NCc1cccc(C(=O)[O-])c1 ZINC000263387647 330053586 /nfs/dbraw/zinc/05/35/86/330053586.db2.gz DJEXVIYWUIMDCN-UHFFFAOYSA-N 0 1 298.386 3.680 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1ccccc1-c1ccccc1C ZINC000263388186 330053600 /nfs/dbraw/zinc/05/36/00/330053600.db2.gz DNUVABZFKDPWGM-UHFFFAOYSA-N 0 1 297.398 3.959 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000263393864 330053919 /nfs/dbraw/zinc/05/39/19/330053919.db2.gz GAUKNGIXXXYJTG-INIZCTEOSA-N 0 1 297.354 3.705 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000263438862 330055668 /nfs/dbraw/zinc/05/56/68/330055668.db2.gz VPAVTSWHUMFGGL-GOSISDBHSA-N 0 1 295.382 3.764 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000263476407 330057301 /nfs/dbraw/zinc/05/73/01/330057301.db2.gz MTDPZXQVYAIDGM-OAHLLOKOSA-N 0 1 299.345 3.513 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000263498442 330057922 /nfs/dbraw/zinc/05/79/22/330057922.db2.gz UORBQMKGTZMOHP-LBPRGKRZSA-N 0 1 285.343 3.703 20 0 CHADMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263497743 330057950 /nfs/dbraw/zinc/05/79/50/330057950.db2.gz UGQXDFCRRBFWNU-CJNGLKHVSA-N 0 1 275.392 3.785 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263497744 330057989 /nfs/dbraw/zinc/05/79/89/330057989.db2.gz UGQXDFCRRBFWNU-CZUORRHYSA-N 0 1 275.392 3.785 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccc(-c2ccccc2)s1)C(=O)[O-] ZINC000263536595 330059100 /nfs/dbraw/zinc/05/91/00/330059100.db2.gz ZONAIHSRKGWDPN-LBPRGKRZSA-N 0 1 289.400 3.568 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccc(-c2ccccc2)s1)C(=O)[O-] ZINC000263536593 330059146 /nfs/dbraw/zinc/05/91/46/330059146.db2.gz ZONAIHSRKGWDPN-GFCCVEGCSA-N 0 1 289.400 3.568 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000263577835 330059915 /nfs/dbraw/zinc/05/99/15/330059915.db2.gz RYADGBUYIVBOLF-HNNXBMFYSA-N 0 1 287.384 3.783 20 0 CHADMN CC1CCC(C[NH2+]Cc2c(F)ccc([O-])c2F)CC1 ZINC000510124049 332893395 /nfs/dbraw/zinc/89/33/95/332893395.db2.gz NWIFIALKWPHOTL-UHFFFAOYSA-N 0 1 269.335 3.586 20 0 CHADMN COc1cc(Cl)ccc1[C@H](C)NCc1cccnc1 ZINC000421799196 330080227 /nfs/dbraw/zinc/08/02/27/330080227.db2.gz DKVKFIKELBACCV-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2ccncc2Cl)c1 ZINC000421822284 330082849 /nfs/dbraw/zinc/08/28/49/330082849.db2.gz WQUGKIZLPLKQDN-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN C[C@H](Cc1ccc(F)cc1Cl)NCc1cscn1 ZINC000421822905 330083247 /nfs/dbraw/zinc/08/32/47/330083247.db2.gz BKRAJQKVIJOSSF-SECBINFHSA-N 0 1 284.787 3.656 20 0 CHADMN C[C@H](NCc1ccc2c(c1)COC2)c1ccncc1Cl ZINC000421830658 330084711 /nfs/dbraw/zinc/08/47/11/330084711.db2.gz BWGKILMGBQGBAT-NSHDSACASA-N 0 1 288.778 3.616 20 0 CHADMN COc1cccc(CCCn2c(C)nc3c2CCCC3)c1 ZINC000572443930 330085427 /nfs/dbraw/zinc/08/54/27/330085427.db2.gz UCRQXDDNHBOQQU-UHFFFAOYSA-N 0 1 284.403 3.712 20 0 CHADMN CC(C)CC[C@H](O)CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000504686146 330087405 /nfs/dbraw/zinc/08/74/05/330087405.db2.gz ABEMXKSQMZNDMG-HOTGVXAUSA-N 0 1 281.827 3.884 20 0 CHADMN COc1cc(Cl)ccc1[C@@H](C)N[C@H]1CCC[C@H]1F ZINC000421857596 330089641 /nfs/dbraw/zinc/08/96/41/330089641.db2.gz PJSKFGNLEXKPOM-WQAKAFBOSA-N 0 1 271.763 3.890 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1cc(C)nc(C)c1 ZINC000421870608 330100156 /nfs/dbraw/zinc/10/01/56/330100156.db2.gz FRNWWYDNAPJKSQ-OAHLLOKOSA-N 0 1 284.403 3.948 20 0 CHADMN CC[C@H]1CCCN(Cc2nc3ccc(F)cc3o2)C1 ZINC000162794182 330116023 /nfs/dbraw/zinc/11/60/23/330116023.db2.gz XMRYRLDVSTYEKB-NSHDSACASA-N 0 1 262.328 3.589 20 0 CHADMN Cc1nnsc1CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000580436076 330133728 /nfs/dbraw/zinc/13/37/28/330133728.db2.gz NKPVKUCQBZDSFQ-OAHLLOKOSA-N 0 1 291.395 3.617 20 0 CHADMN C[C@@H](Nc1ccc2nn[nH]c2c1)c1cc2ccccc2o1 ZINC000580479941 330146941 /nfs/dbraw/zinc/14/69/41/330146941.db2.gz LWHANMHRVQWSIJ-SNVBAGLBSA-N 0 1 278.315 3.877 20 0 CHADMN C[C@@H](Nc1ccc2n[nH]nc2c1)c1cc2ccccc2o1 ZINC000580479941 330146942 /nfs/dbraw/zinc/14/69/42/330146942.db2.gz LWHANMHRVQWSIJ-SNVBAGLBSA-N 0 1 278.315 3.877 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000422583939 330149551 /nfs/dbraw/zinc/14/95/51/330149551.db2.gz DFYMNYIMZCUMBI-MRXNPFEDSA-N 0 1 275.392 3.930 20 0 CHADMN Cc1cc(N)cc(CN[C@@H](C)c2ccccc2F)c1 ZINC000423479712 330206338 /nfs/dbraw/zinc/20/63/38/330206338.db2.gz MNNPTFNULZJDOQ-LBPRGKRZSA-N 0 1 258.340 3.567 20 0 CHADMN CCc1ccc(CC)c(-c2csc([C@H](C)N)n2)c1 ZINC000396745566 330224516 /nfs/dbraw/zinc/22/45/16/330224516.db2.gz YFXXDENZJSBEIU-JTQLQIEISA-N 0 1 260.406 3.955 20 0 CHADMN CC(C)CO[C@@H]1CCN(C/C=C/c2ccc(F)c(F)c2)C1 ZINC000580482655 330226207 /nfs/dbraw/zinc/22/62/07/330226207.db2.gz BNMNLYUHTSHDOF-NHZBNJEXSA-N 0 1 295.373 3.725 20 0 CHADMN CC1(C)C[C@@H](NCc2cc(Cl)sc2Cl)CO1 ZINC000396815530 330227142 /nfs/dbraw/zinc/22/71/42/330227142.db2.gz SRGFZPQFAJVLJX-MRVPVSSYSA-N 0 1 280.220 3.712 20 0 CHADMN CC[C@@H](O)[C@@H]1CCCCN1Cc1cccc(Cl)c1F ZINC000527213389 330237515 /nfs/dbraw/zinc/23/75/15/330237515.db2.gz IMEYNWFIWXLPDQ-UONOGXRCSA-N 0 1 285.790 3.605 20 0 CHADMN CC[C@@H](NCc1cnc(C)cc1C)c1ccccc1OC ZINC000397068195 330238183 /nfs/dbraw/zinc/23/81/83/330238183.db2.gz WQOWJPLAIIOKLE-QGZVFWFLSA-N 0 1 284.403 3.948 20 0 CHADMN C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC1(F)CC1 ZINC000527509535 330254760 /nfs/dbraw/zinc/25/47/60/330254760.db2.gz RQXOMGVBLYKDBI-UHFFFAOYSA-N 0 1 288.366 3.708 20 0 CHADMN CCn1c2ccccc2nc1CN1CCCC(C)(C)C1 ZINC000527505809 330255025 /nfs/dbraw/zinc/25/50/25/330255025.db2.gz SJKMDVITVYGCGV-UHFFFAOYSA-N 0 1 271.408 3.678 20 0 CHADMN C[C@@H]1C[C@H](C)N1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000527529712 330258554 /nfs/dbraw/zinc/25/85/54/330258554.db2.gz WKBZUXYSAFXVQV-AOOOYVTPSA-N 0 1 291.288 3.750 20 0 CHADMN Cc1cc(CN(C)Cc2cccc(OC(C)C)c2)ccn1 ZINC000527537786 330260515 /nfs/dbraw/zinc/26/05/15/330260515.db2.gz FTJWSCLRQDMWCL-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN Cc1cc(CN([C@@H](C)c2ccco2)C2CC2)ccn1 ZINC000527540151 330260891 /nfs/dbraw/zinc/26/08/91/330260891.db2.gz UODKGKJDBDUDLZ-ZDUSSCGKSA-N 0 1 256.349 3.709 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(F)c(Cl)c2)ccn1 ZINC000527540602 330261389 /nfs/dbraw/zinc/26/13/89/330261389.db2.gz RFEXWCURYWTQQG-UHFFFAOYSA-N 0 1 278.758 3.815 20 0 CHADMN CCc1nc(C)c([C@@H](C)N(C)Cc2ccnc(C)c2)s1 ZINC000527533361 330263067 /nfs/dbraw/zinc/26/30/67/330263067.db2.gz ITECPISCVHPVHY-CYBMUJFWSA-N 0 1 289.448 3.910 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccc(F)cc2)ccn1 ZINC000527534537 330263228 /nfs/dbraw/zinc/26/32/28/330263228.db2.gz OYELBLPHDTXECG-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1ccncc1Cl ZINC000527650030 330271992 /nfs/dbraw/zinc/27/19/92/330271992.db2.gz VHCXXMVFCOBFTF-OAHLLOKOSA-N 0 1 276.742 3.651 20 0 CHADMN Cc1ncsc1CNCc1ccsc1C(F)(F)F ZINC000527655797 330273054 /nfs/dbraw/zinc/27/30/54/330273054.db2.gz QXYAOKARQAKYHZ-UHFFFAOYSA-N 0 1 292.351 3.822 20 0 CHADMN CC[C@](C)(CNCc1c(F)ccc(F)c1Cl)OC ZINC000527712235 330276008 /nfs/dbraw/zinc/27/60/08/330276008.db2.gz IHQSSTMOKUMLAW-CYBMUJFWSA-N 0 1 277.742 3.523 20 0 CHADMN CC(C)(O)C(C)(C)CNCc1c(F)ccc(F)c1Cl ZINC000527718509 330277077 /nfs/dbraw/zinc/27/70/77/330277077.db2.gz UBTMHJCJYPLZIL-UHFFFAOYSA-N 0 1 291.769 3.505 20 0 CHADMN CCc1nocc1CNCc1ccccc1CC(C)C ZINC000527732258 330278367 /nfs/dbraw/zinc/27/83/67/330278367.db2.gz ALTSIBXMXUBAAT-UHFFFAOYSA-N 0 1 272.392 3.725 20 0 CHADMN CCc1ncc(CNCc2ccccc2CC(C)C)cn1 ZINC000527733240 330278492 /nfs/dbraw/zinc/27/84/92/330278492.db2.gz NOGMOJAGOGEZFB-UHFFFAOYSA-N 0 1 283.419 3.527 20 0 CHADMN CC1(C)OC[C@@H]2C[C@@]21NCc1cc(Cl)sc1Cl ZINC000527766309 330281722 /nfs/dbraw/zinc/28/17/22/330281722.db2.gz ZDUYAEWVVHMJQR-QPUJVOFHSA-N 0 1 292.231 3.712 20 0 CHADMN COc1ccccc1CN[C@H](c1ccccn1)C1CCC1 ZINC000527770800 330281972 /nfs/dbraw/zinc/28/19/72/330281972.db2.gz GUVPKACGTWKAME-SFHVURJKSA-N 0 1 282.387 3.721 20 0 CHADMN COc1cccc(CN[C@@H](c2ccccn2)C2CCC2)c1 ZINC000527773093 330282288 /nfs/dbraw/zinc/28/22/88/330282288.db2.gz OUQHPHAZSAFWPT-GOSISDBHSA-N 0 1 282.387 3.721 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cc(F)c(Cl)cc21)c1cnn(C)c1 ZINC000527870433 330286175 /nfs/dbraw/zinc/28/61/75/330286175.db2.gz SDWKIRSUOLJFNJ-RFAUZJTJSA-N 0 1 293.773 3.551 20 0 CHADMN CC[C@H](NCc1ccnc(C)n1)c1cc(C)ccc1C ZINC000527824321 330286478 /nfs/dbraw/zinc/28/64/78/330286478.db2.gz YBYGQBOMQXEHAQ-KRWDZBQOSA-N 0 1 269.392 3.643 20 0 CHADMN CC[C@@H](NCc1cccnc1OC)c1cc(C)ccc1C ZINC000527846377 330287756 /nfs/dbraw/zinc/28/77/56/330287756.db2.gz FQGQJGQKTLVPGX-QGZVFWFLSA-N 0 1 284.403 3.948 20 0 CHADMN Cc1cccc(CN[C@H]2CCc3cc(F)c(Cl)cc32)n1 ZINC000527850546 330288235 /nfs/dbraw/zinc/28/82/35/330288235.db2.gz OHZBWCQPIAQCDW-INIZCTEOSA-N 0 1 290.769 3.960 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nccn1C)c1cc(C)ccc1C ZINC000527909498 330290593 /nfs/dbraw/zinc/29/05/93/330290593.db2.gz BJHNMGNEXAVUCC-GOEBONIOSA-N 0 1 271.408 3.839 20 0 CHADMN CC(C)Cc1ccccc1CN[C@H](C)c1cnccn1 ZINC000527918189 330295324 /nfs/dbraw/zinc/29/53/24/330295324.db2.gz FQNQLCHSOHGJAT-CQSZACIVSA-N 0 1 269.392 3.526 20 0 CHADMN COCCC1CCN([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000527931091 330297460 /nfs/dbraw/zinc/29/74/60/330297460.db2.gz BJNOARFYCMYMPQ-LBPRGKRZSA-N 0 1 283.362 3.774 20 0 CHADMN C[C@H](N[C@@H](c1ccccn1)C1CCC1)c1ccncc1 ZINC000527963005 330300834 /nfs/dbraw/zinc/30/08/34/330300834.db2.gz FCLKLYIYJZUTRO-SUMWQHHRSA-N 0 1 267.376 3.669 20 0 CHADMN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccccc1OC(F)F ZINC000527974207 330301846 /nfs/dbraw/zinc/30/18/46/330301846.db2.gz MIKFJXRQDRMVSE-ZBINZKHDSA-N 0 1 285.334 3.506 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccncn1)c1cc(C)ccc1C ZINC000528022280 330304567 /nfs/dbraw/zinc/30/45/67/330304567.db2.gz WFELKAVUIJCJIC-GDBMZVCRSA-N 0 1 269.392 3.895 20 0 CHADMN Cc1ccsc1CNCc1c(F)cc(C)cc1F ZINC000424158030 330305064 /nfs/dbraw/zinc/30/50/64/330305064.db2.gz QEQQBAUWMRIIFG-UHFFFAOYSA-N 0 1 267.344 3.933 20 0 CHADMN COc1ccc([C@@H](N[C@@H](C)c2ccc(C)o2)C2CC2)cn1 ZINC000528042687 330305855 /nfs/dbraw/zinc/30/58/55/330305855.db2.gz HATAVWXOVPSQRB-SJCJKPOMSA-N 0 1 286.375 3.794 20 0 CHADMN CN(Cc1ncccc1Cl)[C@H]1CCc2ccccc2C1 ZINC000528379578 330307659 /nfs/dbraw/zinc/30/76/59/330307659.db2.gz HUFVAROENGZAJR-HNNXBMFYSA-N 0 1 286.806 3.724 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)c1Cl ZINC000424173366 330313741 /nfs/dbraw/zinc/31/37/41/330313741.db2.gz NBIJBLYCPMXSET-STQMWFEESA-N 0 1 265.784 3.571 20 0 CHADMN C[C@@H]1CCC[C@@H](N(C)Cc2ncccc2Cl)C1 ZINC000528354578 330321649 /nfs/dbraw/zinc/32/16/49/330321649.db2.gz WHMZBKQBBRSPCB-VXGBXAGGSA-N 0 1 252.789 3.746 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN(C)CC(C)(C)C ZINC000532956219 330322886 /nfs/dbraw/zinc/32/28/86/330322886.db2.gz CBHRQVKIQBRJEI-UHFFFAOYSA-N 0 1 272.392 3.637 20 0 CHADMN COCc1ccc(CN[C@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC000424209146 330328169 /nfs/dbraw/zinc/32/81/69/330328169.db2.gz ZEFOKNPFWFKKDY-ZWKOTPCHSA-N 0 1 285.362 3.560 20 0 CHADMN CCC1CCC(CNC(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000044583919 330330689 /nfs/dbraw/zinc/33/06/89/330330689.db2.gz KTABGYSIYWNJFT-UHFFFAOYSA-N 0 1 295.810 3.992 20 0 CHADMN Cc1nc(N2CCCC[C@@H]2C)cc(N2CCCC[C@@H]2C)n1 ZINC000533101094 330335677 /nfs/dbraw/zinc/33/56/77/330335677.db2.gz FGWLOOVVUUUKNM-KBPBESRZSA-N 0 1 288.439 3.543 20 0 CHADMN c1ccc([C@H](N[C@@H]2C[C@H]2C2CCC2)c2ccccn2)cc1 ZINC000424322890 330340479 /nfs/dbraw/zinc/34/04/79/330340479.db2.gz IQWQMKYHLVSYJX-UHOSZYNNSA-N 0 1 278.399 3.949 20 0 CHADMN COC(=O)c1cnc([C@H](C)N[C@H](C)CC2CCCC2)s1 ZINC000424325511 330341224 /nfs/dbraw/zinc/34/12/24/330341224.db2.gz LGDBOGJNGQKQOO-MNOVXSKESA-N 0 1 296.436 3.549 20 0 CHADMN Cc1cccc2c(-c3nc([C@H](N)CC(C)C)no3)coc21 ZINC000424332018 330342641 /nfs/dbraw/zinc/34/26/41/330342641.db2.gz BOMRCDGXBNXPJM-CYBMUJFWSA-N 0 1 285.347 3.837 20 0 CHADMN C[C@H](CC(C)(C)C)c1nc(C2(N)CCCCC2)no1 ZINC000424338493 330343798 /nfs/dbraw/zinc/34/37/98/330343798.db2.gz AHHQQBYZIXPETC-LLVKDONJSA-N 0 1 265.401 3.727 20 0 CHADMN CCOC(=O)CCN[C@@H](C)c1cc(Cl)ccc1Cl ZINC000045685646 330348640 /nfs/dbraw/zinc/34/86/40/330348640.db2.gz QOYPIMXCOBFIHQ-VIFPVBQESA-N 0 1 290.190 3.597 20 0 CHADMN CCOC(=O)CCN[C@H](C)c1cc(Cl)ccc1Cl ZINC000045685648 330348653 /nfs/dbraw/zinc/34/86/53/330348653.db2.gz QOYPIMXCOBFIHQ-SECBINFHSA-N 0 1 290.190 3.597 20 0 CHADMN CCc1ccc(NC(=O)c2cc(-c3cccs3)n[nH]2)cc1 ZINC000107694450 330350513 /nfs/dbraw/zinc/35/05/13/330350513.db2.gz BLEITDRUWCPAGZ-UHFFFAOYSA-N 0 1 297.383 3.953 20 0 CHADMN CC[C@H]1CCCN(Cc2nc3cc(F)ccc3n2CC)C1 ZINC000533224343 330353827 /nfs/dbraw/zinc/35/38/27/330353827.db2.gz JRYOKSYFHRGZTP-ZDUSSCGKSA-N 0 1 289.398 3.817 20 0 CHADMN CCC(CC)[N@@H+](Cc1nc(=O)c2sccc2[n-]1)C1CC1 ZINC000533268635 330355941 /nfs/dbraw/zinc/35/59/41/330355941.db2.gz NQMRUJCBGWDNHK-UHFFFAOYSA-N 0 1 291.420 3.550 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CCc2ccccc2)CCO1 ZINC000533302287 330356729 /nfs/dbraw/zinc/35/67/29/330356729.db2.gz PUYKYMYMZUOPKV-IBGZPJMESA-N 0 1 281.399 3.611 20 0 CHADMN Fc1ccc(Cl)cc1CNCCOC1CCCC1 ZINC000118961548 330369183 /nfs/dbraw/zinc/36/91/83/330369183.db2.gz AWGDWEVTLFKWDJ-UHFFFAOYSA-N 0 1 271.763 3.528 20 0 CHADMN Cc1cc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])c(C)s1 ZINC000086755461 330370797 /nfs/dbraw/zinc/37/07/97/330370797.db2.gz KBOKXBMXFUOQRS-AWEZNQCLSA-N 0 1 281.421 3.584 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cccc(Cl)c1Cl ZINC000086752406 330370880 /nfs/dbraw/zinc/37/08/80/330370880.db2.gz FWCIWVSTFXCOLL-VIFPVBQESA-N 0 1 290.190 3.679 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)C1CCCCC1 ZINC000119187152 330370937 /nfs/dbraw/zinc/37/09/37/330370937.db2.gz VYBWNSJZAXJDTD-NSHDSACASA-N 0 1 277.412 3.540 20 0 CHADMN CC(C)CO[C@H]1CCN(Cc2ccccc2OC(F)F)C1 ZINC000120016444 330385055 /nfs/dbraw/zinc/38/50/55/330385055.db2.gz HRJCGGIUFATLTG-AWEZNQCLSA-N 0 1 299.361 3.535 20 0 CHADMN C[C@H](NCCn1cccn1)c1cccc(Cl)c1Cl ZINC000089514741 330385645 /nfs/dbraw/zinc/38/56/45/330385645.db2.gz WEOLZAKAWFUFJP-JTQLQIEISA-N 0 1 284.190 3.541 20 0 CHADMN COc1ccc(C2(NCc3ccccc3N(C)C)CC2)cc1 ZINC000537058666 330393992 /nfs/dbraw/zinc/39/39/92/330393992.db2.gz QDYHIIPLGLQPRU-UHFFFAOYSA-N 0 1 296.414 3.540 20 0 CHADMN CCC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000121017005 330394995 /nfs/dbraw/zinc/39/49/95/330394995.db2.gz DTYVTZPXXKXQAL-GFCCVEGCSA-N 0 1 291.420 3.810 20 0 CHADMN CCC[C@@H]1CCCN(Cc2nc(-c3ccsc3)no2)C1 ZINC000121017005 330394996 /nfs/dbraw/zinc/39/49/96/330394996.db2.gz DTYVTZPXXKXQAL-GFCCVEGCSA-N 0 1 291.420 3.810 20 0 CHADMN Clc1sc(Cl)c2c1CCC[C@H]2N[C@H]1CCOC1 ZINC000090774031 330395875 /nfs/dbraw/zinc/39/58/75/330395875.db2.gz KXZUFIYKMYWJOE-IONNQARKSA-N 0 1 292.231 3.811 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@H](C)c1cc(OC)ncc1F ZINC000514867627 330467027 /nfs/dbraw/zinc/46/70/27/330467027.db2.gz MBHAVLZSWMFIQY-RKDXNWHRSA-N 0 1 294.292 3.611 20 0 CHADMN CC1([NH2+]Cc2cccc([O-])c2Br)CCCC1 ZINC000315013429 330470650 /nfs/dbraw/zinc/47/06/50/330470650.db2.gz KALQRTRIHRDFCH-UHFFFAOYSA-N 0 1 284.197 3.577 20 0 CHADMN Cc1ccoc1CN[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000426332496 330504556 /nfs/dbraw/zinc/50/45/56/330504556.db2.gz DLLDQVOKOMBUNO-GFCCVEGCSA-N 0 1 298.386 3.669 20 0 CHADMN CCSc1ccc([C@H](C)NCc2snnc2C)cc1 ZINC000426339226 330504878 /nfs/dbraw/zinc/50/48/78/330504878.db2.gz KFCGNGOZNVCCTM-JTQLQIEISA-N 0 1 293.461 3.809 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](c2ccccc2)C2CCC2)cn1 ZINC000428389678 330522229 /nfs/dbraw/zinc/52/22/29/330522229.db2.gz MNFDYQNCLWFWRT-KBXCAEBGSA-N 0 1 281.403 3.977 20 0 CHADMN COc1ccccc1CN[C@H](c1ccccc1)C(C)(C)CO ZINC000428473861 330526412 /nfs/dbraw/zinc/52/64/12/330526412.db2.gz OWDUFUDUYKVRJC-GOSISDBHSA-N 0 1 299.414 3.545 20 0 CHADMN Cc1cnc(CN2CCC(c3ccc(F)cc3C)CC2)cn1 ZINC000428713526 330530016 /nfs/dbraw/zinc/53/00/16/330530016.db2.gz WJIIRLQUYJJGHZ-UHFFFAOYSA-N 0 1 299.393 3.612 20 0 CHADMN CN(c1ccccc1)c1ccc(CNC(C)(C)CF)cn1 ZINC000435789467 330663186 /nfs/dbraw/zinc/66/31/86/330663186.db2.gz ISLPQBCAMNFCGL-UHFFFAOYSA-N 0 1 287.382 3.687 20 0 CHADMN COC[C@H](NCc1cc2c(cccc2F)[nH]1)c1ccccc1 ZINC000436246209 330671704 /nfs/dbraw/zinc/67/17/04/330671704.db2.gz YGTXLJDELXZXER-SFHVURJKSA-N 0 1 298.361 3.784 20 0 CHADMN FCCN[C@H](Cc1ccccc1F)c1ccccc1 ZINC000436314614 330675628 /nfs/dbraw/zinc/67/56/28/330675628.db2.gz YROQWLKQQOXZLF-MRXNPFEDSA-N 0 1 261.315 3.669 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C[C@H]2CCC[C@@H]2C)c1 ZINC000436651290 330682302 /nfs/dbraw/zinc/68/23/02/330682302.db2.gz VHXOJTGRRSOBCE-NWDGAFQWSA-N 0 1 289.375 3.750 20 0 CHADMN CSc1ccc(N(C)C(=O)c2c(O)cccc2F)cc1 ZINC000436955803 330689783 /nfs/dbraw/zinc/68/97/83/330689783.db2.gz ILWUFHVWQDYWLX-UHFFFAOYSA-N 0 1 291.347 3.530 20 0 CHADMN CSc1ccc(C)c(NC(=O)c2c(O)cccc2F)c1 ZINC000436975592 330690150 /nfs/dbraw/zinc/69/01/50/330690150.db2.gz LJRQLLLWMQLORT-UHFFFAOYSA-N 0 1 291.347 3.814 20 0 CHADMN CC[C@H](NCc1cccc(CSC)c1)c1ccn(C)n1 ZINC000437103905 330693677 /nfs/dbraw/zinc/69/36/77/330693677.db2.gz BUFWZRAEXRJLEO-HNNXBMFYSA-N 0 1 289.448 3.524 20 0 CHADMN C[C@@H](NCCCCCOc1ccccc1)c1ccon1 ZINC000437980092 330712588 /nfs/dbraw/zinc/71/25/88/330712588.db2.gz SLXBGUFHNWSDST-CQSZACIVSA-N 0 1 274.364 3.575 20 0 CHADMN Cc1cc([C@H](C)NC[C@H](C)c2ccc(F)cc2F)no1 ZINC000438829216 330729679 /nfs/dbraw/zinc/72/96/79/330729679.db2.gz ZHHSTVVHAXIRCN-ONGXEEELSA-N 0 1 280.318 3.716 20 0 CHADMN Cc1ccc(CC2CCN(Cc3cnccn3)CC2)cc1C ZINC000572485696 330744357 /nfs/dbraw/zinc/74/43/57/330744357.db2.gz JXXGYHOMFTUVHA-UHFFFAOYSA-N 0 1 295.430 3.548 20 0 CHADMN CC[C@H](F)CN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000440532462 330750210 /nfs/dbraw/zinc/75/02/10/330750210.db2.gz OSNHWOUJTMQTRV-YPMHNXCESA-N 0 1 293.361 3.719 20 0 CHADMN CC[C@H](F)CN1CCC(Oc2ccccc2Cl)CC1 ZINC000440771615 330755908 /nfs/dbraw/zinc/75/59/08/330755908.db2.gz RLZDRPRHJUKKHR-LBPRGKRZSA-N 0 1 285.790 3.931 20 0 CHADMN CC[C@@H](F)CN[C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000440780826 330756280 /nfs/dbraw/zinc/75/62/80/330756280.db2.gz HZZRVOHHKSQTNX-TZMCWYRMSA-N 0 1 283.387 3.881 20 0 CHADMN CCc1ccccc1NC(=O)CN1CCC(C(C)C)CC1 ZINC000441456604 330769386 /nfs/dbraw/zinc/76/93/86/330769386.db2.gz HHQCRDCNAOWVCL-UHFFFAOYSA-N 0 1 288.435 3.556 20 0 CHADMN CC(C)C1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000441460115 330769399 /nfs/dbraw/zinc/76/93/99/330769399.db2.gz XOLPKBNPVCSBHY-CYBMUJFWSA-N 0 1 292.398 3.521 20 0 CHADMN C[C@@H](c1cccc(F)c1)N1CC(C)(C)OC(C)(C)C1 ZINC000442877383 330789912 /nfs/dbraw/zinc/78/99/12/330789912.db2.gz TYSXBYFCEJCWSP-LBPRGKRZSA-N 0 1 265.372 3.776 20 0 CHADMN Cc1ccc(Cc2noc([C@H](C)N3[C@@H](C)CC[C@@H]3C)n2)cc1 ZINC000443205263 330796794 /nfs/dbraw/zinc/79/67/94/330796794.db2.gz SBQCHYPRWFYDCZ-KKUMJFAQSA-N 0 1 299.418 3.903 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H](C)c1nccnc1C)C1CC1 ZINC000446832570 330855619 /nfs/dbraw/zinc/85/56/19/330855619.db2.gz PCIFJUVNOQHOIP-KBXCAEBGSA-N 0 1 281.403 3.895 20 0 CHADMN Cc1cccc(C)c1[C@@H](C)N[C@@H](C)c1nccnc1C ZINC000446883929 330857036 /nfs/dbraw/zinc/85/70/36/330857036.db2.gz MQIDQIHZHJERBW-HIFRSBDPSA-N 0 1 269.392 3.814 20 0 CHADMN COc1ccc2cc([C@@H](C)NCc3cc(C)no3)ccc2c1 ZINC000194528938 330873543 /nfs/dbraw/zinc/87/35/43/330873543.db2.gz ICFNUKTWCQDBIQ-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN CCCC(O)(CCC)CNCc1ncc(C(C)(C)C)s1 ZINC000447939265 330880647 /nfs/dbraw/zinc/88/06/47/330880647.db2.gz FCBYVOUWZLIYTM-UHFFFAOYSA-N 0 1 298.496 3.862 20 0 CHADMN Cc1cc([C@H](C)NCc2ccncc2F)c(C)s1 ZINC000449074271 330897293 /nfs/dbraw/zinc/89/72/93/330897293.db2.gz UNHVPHNQTVKQLN-JTQLQIEISA-N 0 1 264.369 3.750 20 0 CHADMN Cc1cc(C)cc([C@H](C)NCc2ccncc2F)c1 ZINC000449128980 330900750 /nfs/dbraw/zinc/90/07/50/330900750.db2.gz UBVMCRJZVXPQDE-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN CC[C@H](CNCc1ncc(C)s1)Oc1ccccc1C ZINC000449176463 330903741 /nfs/dbraw/zinc/90/37/41/330903741.db2.gz TVAWHITZFZEPHD-CQSZACIVSA-N 0 1 290.432 3.707 20 0 CHADMN COc1cc(C)cc(CNCc2ccnn2C2CCCC2)c1 ZINC000449198770 330905625 /nfs/dbraw/zinc/90/56/25/330905625.db2.gz DFKFGPRWRMKYCS-UHFFFAOYSA-N 0 1 299.418 3.605 20 0 CHADMN c1cc(CNc2cc3c(cn2)CCCC3)n(C2CCCC2)n1 ZINC000449339549 330916224 /nfs/dbraw/zinc/91/62/24/330916224.db2.gz YSERSWOBYJSGET-UHFFFAOYSA-N 0 1 296.418 3.884 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(F)c(C)c2)cc1O ZINC000449372893 330919955 /nfs/dbraw/zinc/91/99/55/330919955.db2.gz MBZGLMIMNBJQNS-GFCCVEGCSA-N 0 1 289.350 3.699 20 0 CHADMN C[C@H](NCCCCCOc1ccccc1)C(C)(F)F ZINC000449412980 330923537 /nfs/dbraw/zinc/92/35/37/330923537.db2.gz HAWCBKWRARPBGE-ZDUSSCGKSA-N 0 1 271.351 3.869 20 0 CHADMN C[C@H](N[C@H]1CCC[C@H](c2cccnc2)C1)C(C)(F)F ZINC000449417288 330924145 /nfs/dbraw/zinc/92/41/45/330924145.db2.gz XOWXSPOAYJFYKN-OBJOEFQTSA-N 0 1 268.351 3.741 20 0 CHADMN CC1(C)COC[C@H]1NCc1ccc(Oc2ccccc2)o1 ZINC000449626793 330940958 /nfs/dbraw/zinc/94/09/58/330940958.db2.gz XWRWMOPTNCXOKX-OAHLLOKOSA-N 0 1 287.359 3.587 20 0 CHADMN Cc1cccc(CN[C@H](C)c2cccc(N3CCCC3)c2)n1 ZINC000450682312 330993266 /nfs/dbraw/zinc/99/32/66/330993266.db2.gz NSRSNUOJTDPGKP-MRXNPFEDSA-N 0 1 295.430 3.841 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2c(C)cccc2C)n1 ZINC000450748981 330997676 /nfs/dbraw/zinc/99/76/76/330997676.db2.gz WFSWLSWKIDDQEJ-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN CC(C)c1nnc(CN(C)[C@@H]2CCCC[C@@H]2C)s1 ZINC000450813860 331000804 /nfs/dbraw/zinc/00/08/04/331000804.db2.gz WYXYITCKPMXUOE-NWDGAFQWSA-N 0 1 267.442 3.672 20 0 CHADMN CN(Cc1cc(C(C)(C)C)n[nH]1)C[C@H]1CCCCC1(F)F ZINC000450872725 331004039 /nfs/dbraw/zinc/00/40/39/331004039.db2.gz ONNQNKBDXGCLHC-GFCCVEGCSA-N 0 1 299.409 3.965 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@H](C(C)(C)C)C2)s1 ZINC000450899595 331005840 /nfs/dbraw/zinc/00/58/40/331005840.db2.gz SWGSBTIEVJFFCZ-LBPRGKRZSA-N 0 1 281.469 3.920 20 0 CHADMN CCCCO[C@H]1C[C@H](NCc2nccn2C(C)C)C1(C)C ZINC000450968456 331009150 /nfs/dbraw/zinc/00/91/50/331009150.db2.gz KFGOPCZFEWHGCI-GJZGRUSLSA-N 0 1 293.455 3.537 20 0 CHADMN FC1(F)CCCC[C@@H]1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000450975706 331009475 /nfs/dbraw/zinc/00/94/75/331009475.db2.gz BANFWKADSCECEW-OCCSQVGLSA-N 0 1 283.366 3.762 20 0 CHADMN FCCCN1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451016537 331011909 /nfs/dbraw/zinc/01/19/09/331011909.db2.gz LRXQZFLPUUOSHG-ZDUSSCGKSA-N 0 1 281.762 3.713 20 0 CHADMN C[C@H](c1ccc(OC(F)(F)F)cc1)N1CC[C@H](F)C1 ZINC000451195496 331019964 /nfs/dbraw/zinc/01/99/64/331019964.db2.gz XRCLYBQKDLNEEN-KOLCDFICSA-N 0 1 277.261 3.690 20 0 CHADMN COC[C@@]1(C)CCN([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000451197566 331020082 /nfs/dbraw/zinc/02/00/82/331020082.db2.gz CTDIEEYUIKPTNV-NHYWBVRUSA-N 0 1 285.790 3.899 20 0 CHADMN COC[C@]1(C)CCN([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000451197564 331020111 /nfs/dbraw/zinc/02/01/11/331020111.db2.gz CTDIEEYUIKPTNV-IAQYHMDHSA-N 0 1 285.790 3.899 20 0 CHADMN COc1ccc(Cl)c(CN2CCC(CF)CC2)c1 ZINC000451395223 331027480 /nfs/dbraw/zinc/02/74/80/331027480.db2.gz PZOOKEXRJNNMPH-UHFFFAOYSA-N 0 1 271.763 3.530 20 0 CHADMN CCO[C@@H]1CCN([C@@H](C)c2ccc(F)c(F)c2)C[C@H]1C ZINC000451521849 331032240 /nfs/dbraw/zinc/03/22/40/331032240.db2.gz AHOIQBVOYMURSY-BFQNTYOBSA-N 0 1 283.362 3.773 20 0 CHADMN CCO[C@@H]1CCN([C@H](C)c2nc3ccccc3o2)C[C@H]1C ZINC000451522453 331032511 /nfs/dbraw/zinc/03/25/11/331032511.db2.gz BFBDDXGLEFTCGF-UMVBOHGHSA-N 0 1 288.391 3.636 20 0 CHADMN CCO[C@@H]1CCN(Cc2cc(F)ccc2Cl)C[C@H]1C ZINC000451538438 331033158 /nfs/dbraw/zinc/03/31/58/331033158.db2.gz JINIJKPLASRKGL-IAQYHMDHSA-N 0 1 285.790 3.726 20 0 CHADMN CCO[C@@H]1CCN([C@@H](C)c2ccc(F)cc2F)C[C@H]1C ZINC000451542957 331033186 /nfs/dbraw/zinc/03/31/86/331033186.db2.gz OENZDLYPZYQALG-BFQNTYOBSA-N 0 1 283.362 3.773 20 0 CHADMN c1nc(CN2CCCc3ccccc3CC2)oc1C1CC1 ZINC000451708846 331039678 /nfs/dbraw/zinc/03/96/78/331039678.db2.gz JJFJIVDFCOSVFG-UHFFFAOYSA-N 0 1 282.387 3.543 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C(C)(C)C(C)(F)F)c1 ZINC000451891826 331046348 /nfs/dbraw/zinc/04/63/48/331046348.db2.gz OTIRFAXQXYCVAV-UHFFFAOYSA-N 0 1 299.317 3.605 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC[C@]2(CCOC2)C1 ZINC000451903078 331046729 /nfs/dbraw/zinc/04/67/29/331046729.db2.gz PBIMFQSOMORXAM-WBMJQRKESA-N 0 1 281.346 3.528 20 0 CHADMN O=C1CCC(CN2CCC[C@@H]2c2ccc(F)cc2F)CC1 ZINC000451974884 331049243 /nfs/dbraw/zinc/04/92/43/331049243.db2.gz UDRVCNNVMXJUBQ-QGZVFWFLSA-N 0 1 293.357 3.861 20 0 CHADMN CCO[C@@H]1CCC[C@H]1N[C@@H](C)c1c(F)cccc1F ZINC000452015808 331050554 /nfs/dbraw/zinc/05/05/54/331050554.db2.gz JCVHYBHPQAFXKE-ZLKJLUDKSA-N 0 1 269.335 3.573 20 0 CHADMN CC(C)c1noc([C@H](C)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)n1 ZINC000452041237 331051632 /nfs/dbraw/zinc/05/16/32/331051632.db2.gz JEUWMSMJCMYBNY-IQNXINDISA-N 0 1 289.423 3.622 20 0 CHADMN CC(C)N(Cc1ncnn1-c1ccccc1)C1CC(C)(C)C1 ZINC000452106378 331054412 /nfs/dbraw/zinc/05/44/12/331054412.db2.gz NTSXROPEWZYQQF-UHFFFAOYSA-N 0 1 298.434 3.666 20 0 CHADMN COC[C@H]1CCCN(Cc2cccc(F)c2Cl)CC1 ZINC000452110496 331054648 /nfs/dbraw/zinc/05/46/48/331054648.db2.gz ZGOAMQLDGFCBNY-LBPRGKRZSA-N 0 1 285.790 3.728 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@H](C)c1cnn(C)c1C ZINC000194848102 331064781 /nfs/dbraw/zinc/06/47/81/331064781.db2.gz RYTHDDQZKJSVKP-VXGBXAGGSA-N 0 1 289.448 3.862 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NCC1CCCCCC1 ZINC000452792900 331078130 /nfs/dbraw/zinc/07/81/30/331078130.db2.gz MHGJDEOMACACGX-UHFFFAOYSA-N 0 1 277.412 3.542 20 0 CHADMN COc1cccc(CN[C@H](C)c2csc(C)c2)c1OC ZINC000453061497 331085549 /nfs/dbraw/zinc/08/55/49/331085549.db2.gz OEYYTDRFDKLZSL-GFCCVEGCSA-N 0 1 291.416 3.925 20 0 CHADMN CC[C@H](N[C@H](C)c1nccn1CC)c1cccs1 ZINC000453079048 331087130 /nfs/dbraw/zinc/08/71/30/331087130.db2.gz OEYKCUVEPMFUNU-NEPJUHHUSA-N 0 1 263.410 3.766 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H](C)c1ccc(C)s1 ZINC000453103110 331089330 /nfs/dbraw/zinc/08/93/30/331089330.db2.gz WKRBHJMNEBFQCJ-NEPJUHHUSA-N 0 1 263.410 3.685 20 0 CHADMN CC[C@@H](NCc1ccc(Cl)cc1OC)c1ccncc1 ZINC000453112111 331090154 /nfs/dbraw/zinc/09/01/54/331090154.db2.gz PNGNQTYKEFTVHM-OAHLLOKOSA-N 0 1 290.794 3.985 20 0 CHADMN CC[C@H](NCc1nc2ccc(C)cc2[nH]1)c1ccncc1 ZINC000453115570 331090680 /nfs/dbraw/zinc/09/06/80/331090680.db2.gz IIPAZGNAXLKBDD-AWEZNQCLSA-N 0 1 280.375 3.507 20 0 CHADMN C[C@H](NCCOc1ccccc1C(C)(C)C)c1ccncn1 ZINC000453168487 331096547 /nfs/dbraw/zinc/09/65/47/331096547.db2.gz XQLWXZDHIXNVFX-AWEZNQCLSA-N 0 1 299.418 3.504 20 0 CHADMN CC[C@@H](N[C@H](CC)c1ccncc1)c1c(C)noc1C ZINC000453181778 331098005 /nfs/dbraw/zinc/09/80/05/331098005.db2.gz QMZMNAUXZSPDKK-HUUCEWRRSA-N 0 1 273.380 3.878 20 0 CHADMN CC[C@@H](NCc1ccnc(OC2CCC2)c1)c1ccncc1 ZINC000453184249 331098439 /nfs/dbraw/zinc/09/84/39/331098439.db2.gz UHHPINDYZQINJK-QGZVFWFLSA-N 0 1 297.402 3.649 20 0 CHADMN CC[C@H](N[C@H](CO)c1ccsc1)c1ccsc1 ZINC000453206282 331101402 /nfs/dbraw/zinc/10/14/02/331101402.db2.gz XZNOUJAPOFGSKG-QWHCGFSZSA-N 0 1 267.419 3.584 20 0 CHADMN COC[C@H](NC1CC(C)(F)C1)c1cccc(Cl)c1F ZINC000453230653 331104378 /nfs/dbraw/zinc/10/43/78/331104378.db2.gz DKPYRNDTDRNFQZ-PEUVISTOSA-N 0 1 289.753 3.647 20 0 CHADMN C[C@@H](NC1CC(C)(F)C1)c1ncc(-c2ccccc2)n1C ZINC000453238125 331105465 /nfs/dbraw/zinc/10/54/65/331105465.db2.gz NOIKDJQUGQKBOC-RFSCMCKOSA-N 0 1 287.382 3.628 20 0 CHADMN CC[C@H](C)[C@H](CN[C@@H](C)c1nc2c(s1)CCCC2)OC ZINC000453266190 331109158 /nfs/dbraw/zinc/10/91/58/331109158.db2.gz KXNDRWVWGGMMQP-OBJOEFQTSA-N 0 1 296.480 3.734 20 0 CHADMN C[C@H](NC1CCc2ccccc2CC1)C(C)(F)F ZINC000453277536 331110224 /nfs/dbraw/zinc/11/02/24/331110224.db2.gz DJSGKTNWKODQSE-NSHDSACASA-N 0 1 253.336 3.567 20 0 CHADMN Cc1c([C@H](C)NCc2ccnc(C)c2)cnn1C(C)(C)C ZINC000453279097 331110297 /nfs/dbraw/zinc/11/02/97/331110297.db2.gz DWCCXYJWVOTLJN-ZDUSSCGKSA-N 0 1 286.423 3.501 20 0 CHADMN C[C@H](NCc1n[nH]c(C2CC2)n1)c1ccccc1C(C)(C)C ZINC000453278017 331110386 /nfs/dbraw/zinc/11/03/86/331110386.db2.gz OWPGVLTYCZZQDG-LBPRGKRZSA-N 0 1 298.434 3.830 20 0 CHADMN C[C@H](N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1)C1CC1 ZINC000453287834 331111412 /nfs/dbraw/zinc/11/14/12/331111412.db2.gz LGSGTSCOFOGDTD-MEDUHNTESA-N 0 1 289.810 3.551 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc(F)c(F)c(F)c2)ccn1 ZINC000453293092 331112168 /nfs/dbraw/zinc/11/21/68/331112168.db2.gz PMLCDIBRXLXDMM-JTQLQIEISA-N 0 1 280.293 3.658 20 0 CHADMN CC(C)[C@@H]1C[C@H]1CN[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000453333735 331118110 /nfs/dbraw/zinc/11/81/10/331118110.db2.gz BXWQGCAXIFVDJC-ZVZYQTTQSA-N 0 1 299.393 3.587 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2cc(C)ccc2C)o1 ZINC000453354546 331121277 /nfs/dbraw/zinc/12/12/77/331121277.db2.gz HPRGHCKRQXTKNB-ZDUSSCGKSA-N 0 1 258.365 3.705 20 0 CHADMN CC[C@H](NCc1cnc(C2CC2)o1)c1ccc(OC)cc1 ZINC000453357763 331121913 /nfs/dbraw/zinc/12/19/13/331121913.db2.gz NTWBKMACAXTYJO-INIZCTEOSA-N 0 1 286.375 3.802 20 0 CHADMN Cc1nc([C@H](C)NCCc2cc(C)ccc2F)cs1 ZINC000453364779 331123206 /nfs/dbraw/zinc/12/32/06/331123206.db2.gz SIWOJZAAKKVOAE-NSHDSACASA-N 0 1 278.396 3.792 20 0 CHADMN C[C@@H](c1cc(F)c(F)c(F)c1)N1CCC[C@@]2(CCOC2)C1 ZINC000453371023 331124154 /nfs/dbraw/zinc/12/41/54/331124154.db2.gz NPQBSMMYIKWFEH-MEDUHNTESA-N 0 1 299.336 3.667 20 0 CHADMN CCc1ncc(CN[C@H](C)c2ccc(C)c(C)c2)o1 ZINC000453374502 331124559 /nfs/dbraw/zinc/12/45/59/331124559.db2.gz OWICAPIKCDSENE-CYBMUJFWSA-N 0 1 258.365 3.705 20 0 CHADMN COc1cccnc1CN[C@H]1CCCc2ccc(C)cc21 ZINC000453382816 331126113 /nfs/dbraw/zinc/12/61/13/331126113.db2.gz ZPUJZEHLQLBCPM-INIZCTEOSA-N 0 1 282.387 3.566 20 0 CHADMN COc1cccc([C@H]2C[C@H](N[C@H](C)c3cc(C)on3)C2)c1 ZINC000453390845 331127416 /nfs/dbraw/zinc/12/74/16/331127416.db2.gz YQJLKOKUKFGSLT-BPLDGKMQSA-N 0 1 286.375 3.588 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2cc3c(s2)CCC3)o1 ZINC000453398718 331128248 /nfs/dbraw/zinc/12/82/48/331128248.db2.gz XHODPMPUNNPJBH-JTQLQIEISA-N 0 1 276.405 3.638 20 0 CHADMN Cc1ccc(CCN[C@@H](C)c2csc(C(C)C)n2)nc1 ZINC000453438089 331131772 /nfs/dbraw/zinc/13/17/72/331131772.db2.gz VNRNBQOIVJHIPE-ZDUSSCGKSA-N 0 1 289.448 3.863 20 0 CHADMN CC[C@]1(C(C)C)C[C@@H]1NCc1ncc(CSC)s1 ZINC000453608899 331136294 /nfs/dbraw/zinc/13/62/94/331136294.db2.gz IWECKCBMDVIRQW-GXTWGEPZSA-N 0 1 284.494 3.920 20 0 CHADMN C[C@@H]1CC=C(C(=O)Nc2cccc(Cl)c2O)CC1 ZINC000455990340 331181934 /nfs/dbraw/zinc/18/19/34/331181934.db2.gz DEUYAVXWDCVVKZ-SECBINFHSA-N 0 1 265.740 3.731 20 0 CHADMN Cc1cccc2nc(CNC(=O)C3=CCC(C)(C)CC3)[nH]c21 ZINC000456008791 331182335 /nfs/dbraw/zinc/18/23/35/331182335.db2.gz FAOOABZTQUBNNE-UHFFFAOYSA-N 0 1 297.402 3.624 20 0 CHADMN CC(C)[C@@H]1CN(C(=O)c2ccc(O)c(Cl)c2)[C@@H]1C(C)C ZINC000456306329 331189646 /nfs/dbraw/zinc/18/96/46/331189646.db2.gz XMYSFZPLDDTYKW-SWLSCSKDSA-N 0 1 295.810 3.798 20 0 CHADMN CC(C)[C@@H]1N(C(=O)c2cccc3c[nH]nc32)CC12CCCC2 ZINC000457180252 331214079 /nfs/dbraw/zinc/21/40/79/331214079.db2.gz WJWVFVWIVQIISV-INIZCTEOSA-N 0 1 297.402 3.604 20 0 CHADMN O=C(CC1CCCCC1)Nc1ccc(F)c(F)c1O ZINC000457296675 331218453 /nfs/dbraw/zinc/21/84/53/331218453.db2.gz QEOIFBQGPRIRGO-UHFFFAOYSA-N 0 1 269.291 3.579 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CC(C(C)(C)C)C3)n[nH]2)cc1 ZINC000457325011 331219162 /nfs/dbraw/zinc/21/91/62/331219162.db2.gz FOJFHAFAZKCJBR-UHFFFAOYSA-N 0 1 297.402 3.503 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCCCC(C)C)n[nH]1 ZINC000457765139 331233722 /nfs/dbraw/zinc/23/37/22/331233722.db2.gz NDUIKZPSEAYYET-OLZOCXBDSA-N 0 1 294.443 3.712 20 0 CHADMN Fc1cccc([C@H]2CCCN2CCn2cc(Cl)cn2)c1 ZINC000459306915 331275670 /nfs/dbraw/zinc/27/56/70/331275670.db2.gz QHVFLWLYETZIKG-OAHLLOKOSA-N 0 1 293.773 3.513 20 0 CHADMN CCOc1cc(C[N@@H+](C)[C@H](C)C2CC2)cc(Cl)c1O ZINC000459311120 331275736 /nfs/dbraw/zinc/27/57/36/331275736.db2.gz VBJCZIXQDXLYGJ-SNVBAGLBSA-N 0 1 283.799 3.675 20 0 CHADMN CCOc1cc(C[N@@H+](C)[C@@H](C)C2CC2)cc(Cl)c1O ZINC000459311119 331275843 /nfs/dbraw/zinc/27/58/43/331275843.db2.gz VBJCZIXQDXLYGJ-JTQLQIEISA-N 0 1 283.799 3.675 20 0 CHADMN Cc1cc(CNCC(C)(C)c2ccc(Cl)cc2)no1 ZINC000459373760 331278829 /nfs/dbraw/zinc/27/88/29/331278829.db2.gz NBDZIJOVAQJESG-UHFFFAOYSA-N 0 1 278.783 3.704 20 0 CHADMN CCC(C)(C)C1CCC(NCc2cc(COC)on2)CC1 ZINC000459375839 331278913 /nfs/dbraw/zinc/27/89/13/331278913.db2.gz KLBDTJYHZKMXAL-UHFFFAOYSA-N 0 1 294.439 3.906 20 0 CHADMN CCn1nncc1CN[C@H](CC1CCCC1)c1ccccc1 ZINC000459393419 331279773 /nfs/dbraw/zinc/27/97/73/331279773.db2.gz YEQKIDUXFXZEKO-GOSISDBHSA-N 0 1 298.434 3.709 20 0 CHADMN OC[C@@H](NCc1ccc(C2CC2)cc1)c1cccc(F)c1 ZINC000459417010 331280568 /nfs/dbraw/zinc/28/05/68/331280568.db2.gz RLFOGVYFRPMQJR-GOSISDBHSA-N 0 1 285.362 3.526 20 0 CHADMN Cc1cc(F)c(CNCCC(F)(F)F)c(Cl)c1 ZINC000459422855 331280651 /nfs/dbraw/zinc/28/06/51/331280651.db2.gz OGVDDOXACKWTJU-UHFFFAOYSA-N 0 1 269.669 3.830 20 0 CHADMN COCc1cc(CNCC(C)(C)C2CCCCC2)no1 ZINC000459442122 331281601 /nfs/dbraw/zinc/28/16/01/331281601.db2.gz ORGSXTBIETVRCH-UHFFFAOYSA-N 0 1 280.412 3.517 20 0 CHADMN c1cc2c(s1)CCC[C@H]2NCc1cnc(C2CC2)nc1 ZINC000459479941 331284023 /nfs/dbraw/zinc/28/40/23/331284023.db2.gz NFNWMFOPIFIHBC-CQSZACIVSA-N 0 1 285.416 3.583 20 0 CHADMN Cc1cc(F)c(CN(C)[C@H]2CC[C@H](O)CC2)c(Cl)c1 ZINC000459512356 331285461 /nfs/dbraw/zinc/28/54/61/331285461.db2.gz QQLDSDMXFSRTAK-HAQNSBGRSA-N 0 1 285.790 3.523 20 0 CHADMN C[C@H](NC1CC(C(C)(C)C)C1)c1c(F)cncc1F ZINC000459545773 331287028 /nfs/dbraw/zinc/28/70/28/331287028.db2.gz HDDZPDGGMTTWGP-WHXUTIOJSA-N 0 1 268.351 3.835 20 0 CHADMN C[C@H](NCCc1cccc(Cl)c1)c1c(F)cncc1F ZINC000459551916 331287509 /nfs/dbraw/zinc/28/75/09/331287509.db2.gz UHXXHNCZFSUIQZ-JTQLQIEISA-N 0 1 296.748 3.907 20 0 CHADMN FC(F)CN[C@H]1CCC[C@H]1CCc1ccccc1 ZINC000459552498 331287523 /nfs/dbraw/zinc/28/75/23/331287523.db2.gz ZMUTVNAZLPKLOE-KBPBESRZSA-N 0 1 253.336 3.643 20 0 CHADMN COc1cc(CN2CC3(C2)CCCC3)ccc1OC(F)F ZINC000459561124 331288024 /nfs/dbraw/zinc/28/80/24/331288024.db2.gz MRQNFXJFRRACRT-UHFFFAOYSA-N 0 1 297.345 3.673 20 0 CHADMN CCc1noc(C)c1CNCc1ccc(C2CC2)cc1 ZINC000459594301 331289900 /nfs/dbraw/zinc/28/99/00/331289900.db2.gz RPOHSYALVOSWQW-UHFFFAOYSA-N 0 1 270.376 3.713 20 0 CHADMN OCCC1CN(Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000459595606 331289946 /nfs/dbraw/zinc/28/99/46/331289946.db2.gz RIFOZMOOTUSSMX-UHFFFAOYSA-N 0 1 299.439 3.652 20 0 CHADMN Cc1nc2scc(C3CC3)n2c1CN[C@@H]1CCC[C@@H]1F ZINC000459599150 331290048 /nfs/dbraw/zinc/29/00/48/331290048.db2.gz XGXDOAYNDKJJOA-NWDGAFQWSA-N 0 1 293.411 3.562 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@]2(C)CCCC[C@H]2C)n1 ZINC000459621291 331290837 /nfs/dbraw/zinc/29/08/37/331290837.db2.gz WNFHTLSAGKWRAO-JMSVASOKSA-N 0 1 297.468 3.942 20 0 CHADMN CC(C)(C)C1CN(Cc2cnc(C3CCC3)s2)C1 ZINC000459643904 331291798 /nfs/dbraw/zinc/29/17/98/331291798.db2.gz OXUICYFPMMCOFV-UHFFFAOYSA-N 0 1 264.438 3.889 20 0 CHADMN Cc1ccc(CN[C@@H]2CSCCc3ccccc32)nc1C ZINC000459660843 331292779 /nfs/dbraw/zinc/29/27/79/331292779.db2.gz FQUHJJOFOAUMTM-GOSISDBHSA-N 0 1 298.455 3.819 20 0 CHADMN Cn1cc(CN2CC3(CCCCC3)[C@H]2c2ccccc2)cn1 ZINC000459715206 331295410 /nfs/dbraw/zinc/29/54/10/331295410.db2.gz OZQWKLUACNEQEI-GOSISDBHSA-N 0 1 295.430 3.928 20 0 CHADMN CC[C@@H]1OCC[C@H]1NCc1csc(Cl)c1Cl ZINC000459740041 331297344 /nfs/dbraw/zinc/29/73/44/331297344.db2.gz LIGPEBGUGVQJGG-BDAKNGLRSA-N 0 1 280.220 3.712 20 0 CHADMN CCc1cnc(CN[C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)s1 ZINC000459768138 331299659 /nfs/dbraw/zinc/29/96/59/331299659.db2.gz QEUNEHYUBLRYFV-CHWSQXEVSA-N 0 1 296.480 3.777 20 0 CHADMN Cc1nc(CN(C)[C@H](C)Cc2cccc(F)c2)sc1C ZINC000459768409 331299713 /nfs/dbraw/zinc/29/97/13/331299713.db2.gz RCZFWVXTIOJMBT-LLVKDONJSA-N 0 1 292.423 3.962 20 0 CHADMN Clc1cc2cccnc2c(CN2C[C@@H]3C[C@H]2CS3)c1 ZINC000459774143 331300070 /nfs/dbraw/zinc/30/00/70/331300070.db2.gz VPXSUIALSIJFHO-KBPBESRZSA-N 0 1 290.819 3.578 20 0 CHADMN CCC1(c2ccccc2)CN(Cc2cccc(O)c2)C1 ZINC000459777533 331300330 /nfs/dbraw/zinc/30/03/30/331300330.db2.gz WTCKCSXJFGLVDD-UHFFFAOYSA-N 0 1 267.372 3.556 20 0 CHADMN CCC[C@@H](N[C@H](C)c1nc(C(C)(C)C)no1)C1CCC1 ZINC000459791032 331301061 /nfs/dbraw/zinc/30/10/61/331301061.db2.gz HADFNDOJHOXEPV-DGCLKSJQSA-N 0 1 279.428 3.987 20 0 CHADMN CCC[C@@H](NCc1nc([C@@H](C)SCC)no1)C1CCC1 ZINC000459810957 331301844 /nfs/dbraw/zinc/30/18/44/331301844.db2.gz USHBQEDNVDYKPS-DGCLKSJQSA-N 0 1 297.468 3.942 20 0 CHADMN CS[C@@H](C)CN[C@H](c1ccccc1)c1ccccn1 ZINC000166172955 331306750 /nfs/dbraw/zinc/30/67/50/331306750.db2.gz YIHMEFLLDXWDIC-XJKSGUPXSA-N 0 1 272.417 3.512 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1F ZINC000167037815 331307810 /nfs/dbraw/zinc/30/78/10/331307810.db2.gz WNZXWGVECYJPPM-LBPRGKRZSA-N 0 1 299.773 3.698 20 0 CHADMN CCN(Cc1ccc(Oc2ccccc2)o1)C[C@H](C)OC ZINC000462827317 331331464 /nfs/dbraw/zinc/33/14/64/331331464.db2.gz VXRAIUKISXOSGJ-AWEZNQCLSA-N 0 1 289.375 3.929 20 0 CHADMN CC(C)(C)OC1CC(Nc2cc3c(cn2)CCCC3)C1 ZINC000462955749 331335900 /nfs/dbraw/zinc/33/59/00/331335900.db2.gz WZGQAJASZUPSLO-UHFFFAOYSA-N 0 1 274.408 3.718 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1Cc1cncc(C(F)(F)F)c1 ZINC000463105559 331339992 /nfs/dbraw/zinc/33/99/92/331339992.db2.gz NTOCNLOBRDMAAV-ZWNOBZJWSA-N 0 1 272.314 3.721 20 0 CHADMN C[C@H](c1nc(CC2CC(C)(C)C2)no1)N1CCCCCC1 ZINC000463174154 331341444 /nfs/dbraw/zinc/34/14/44/331341444.db2.gz RNTAQWSLRVDOHT-CYBMUJFWSA-N 0 1 291.439 3.985 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1C(=O)c1[nH]nc2ccccc21 ZINC000464186276 331357702 /nfs/dbraw/zinc/35/77/02/331357702.db2.gz OYGILIDIUNVKLZ-DOMZBBRYSA-N 0 1 285.391 3.604 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1C(=O)c1[nH]nc2ccccc21 ZINC000464186277 331357719 /nfs/dbraw/zinc/35/77/19/331357719.db2.gz OYGILIDIUNVKLZ-IUODEOHRSA-N 0 1 285.391 3.604 20 0 CHADMN CC[C@]1(C)CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000464588161 331363405 /nfs/dbraw/zinc/36/34/05/331363405.db2.gz VOHHGJHHXKNGFR-GOSISDBHSA-N 0 1 297.402 3.729 20 0 CHADMN CC(C)c1cccc(NC(=O)CN2C[C@H](C)CC[C@@H]2C)c1 ZINC000464815264 331369396 /nfs/dbraw/zinc/36/93/96/331369396.db2.gz AGGTZNVNBJPVAP-CABCVRRESA-N 0 1 288.435 3.869 20 0 CHADMN CC(C)c1cccc(NC(=O)CN2C[C@@H](C)CC[C@H]2C)c1 ZINC000464815267 331369444 /nfs/dbraw/zinc/36/94/44/331369444.db2.gz AGGTZNVNBJPVAP-LSDHHAIUSA-N 0 1 288.435 3.869 20 0 CHADMN Cc1sc(NC(=O)CN2C[C@H](C)CC[C@H]2C)c(C)c1C ZINC000464828320 331370057 /nfs/dbraw/zinc/37/00/57/331370057.db2.gz MDEHXDCFTSGZAZ-GHMZBOCLSA-N 0 1 294.464 3.732 20 0 CHADMN CCC[C@@]1(C)CCCN([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000464838057 331370371 /nfs/dbraw/zinc/37/03/71/331370371.db2.gz MSHFWZFEFYFIRP-YJBOKZPZSA-N 0 1 288.435 3.916 20 0 CHADMN CC(C)[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(C)C ZINC000465545874 331384784 /nfs/dbraw/zinc/38/47/84/331384784.db2.gz CFQZAMXFORJAOZ-LBPRGKRZSA-N 0 1 289.206 3.518 20 0 CHADMN C[C@@H](Nc1ccc(Cl)c(CN(C)C)c1)C1CC1 ZINC000466419969 331396121 /nfs/dbraw/zinc/39/61/21/331396121.db2.gz UKHXEHMGHMURRU-SNVBAGLBSA-N 0 1 252.789 3.612 20 0 CHADMN CN(C)Cc1cc(NCC(C)(C)C)ccc1Cl ZINC000466424417 331396522 /nfs/dbraw/zinc/39/65/22/331396522.db2.gz WETLBDNSTHIHRA-UHFFFAOYSA-N 0 1 254.805 3.860 20 0 CHADMN COc1ccccc1/C=C\CN[C@@H]1COc2ccc(F)cc21 ZINC000466472698 331397967 /nfs/dbraw/zinc/39/79/67/331397967.db2.gz HJTNLTUFWZTLQK-DQOPKJQZSA-N 0 1 299.345 3.571 20 0 CHADMN COc1ccc([C@H](C)N[C@H]2COc3ccc(F)cc32)cc1 ZINC000468052383 331427712 /nfs/dbraw/zinc/42/77/12/331427712.db2.gz YHNULJQNAKMLLW-ZBEGNZNMSA-N 0 1 287.334 3.619 20 0 CHADMN CCC1CCN(Cc2cccc(OC)c2OC(F)F)CC1 ZINC000510680500 332911302 /nfs/dbraw/zinc/91/13/02/332911302.db2.gz KAZAHBNMPJXLBZ-UHFFFAOYSA-N 0 1 299.361 3.919 20 0 CHADMN Cc1cc(S(=O)(=O)Nc2ccccc2)c(Cl)cc1F ZINC000471134836 331501861 /nfs/dbraw/zinc/50/18/61/331501861.db2.gz VYICNBQLUXABNR-UHFFFAOYSA-N 0 1 299.754 3.588 20 0 CHADMN CCc1cccc(F)c1CNCc1ccc(OC)cc1 ZINC000474484649 331589389 /nfs/dbraw/zinc/58/93/89/331589389.db2.gz LTCVAVAXPYPSAG-UHFFFAOYSA-N 0 1 273.351 3.687 20 0 CHADMN C[C@@H](N[C@@H](C)CCc1c(F)cccc1F)c1ccon1 ZINC000510929611 332920803 /nfs/dbraw/zinc/92/08/03/332920803.db2.gz MVJVPKDXNLPIDE-WDEREUQCSA-N 0 1 280.318 3.625 20 0 CHADMN CCCc1cccc(CNCc2ccc(OC)cc2OC)c1 ZINC000479538505 331735960 /nfs/dbraw/zinc/73/59/60/331735960.db2.gz PRWMVUDUQYNQHW-UHFFFAOYSA-N 0 1 299.414 3.946 20 0 CHADMN Cc1cc(-c2noc([C@H](C)NCCC(C)C)n2)ccc1F ZINC000511048659 332925638 /nfs/dbraw/zinc/92/56/38/332925638.db2.gz RTCIRUSHTCZFPX-LBPRGKRZSA-N 0 1 291.370 3.881 20 0 CHADMN CC[C@@H](NCc1cn2ccc(C)cc2n1)c1cccs1 ZINC000482515120 331836491 /nfs/dbraw/zinc/83/64/91/331836491.db2.gz WIPUDBLZEXQFMT-CQSZACIVSA-N 0 1 285.416 3.945 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)N[C@@H](C)C3CC3)n2)cc1 ZINC000483654661 331880773 /nfs/dbraw/zinc/88/07/73/331880773.db2.gz OKNLROMLQXHIAB-RYUDHWBXSA-N 0 1 285.391 3.748 20 0 CHADMN CCc1noc(C)c1CN[C@@]1(C)CCCc2ccccc21 ZINC000483817595 331885208 /nfs/dbraw/zinc/88/52/08/331885208.db2.gz NRKNQLFVFRCZRG-SFHVURJKSA-N 0 1 284.403 3.887 20 0 CHADMN CC[C@H](NC/C=C\c1ccncc1)c1nc(C)cs1 ZINC000487301524 331964448 /nfs/dbraw/zinc/96/44/48/331964448.db2.gz HZCUYIYPEZNTMX-WSNITJDQSA-N 0 1 273.405 3.601 20 0 CHADMN CC(C)C1CC(NCc2nnc(-c3ccccc3)s2)C1 ZINC000488406733 332004614 /nfs/dbraw/zinc/00/46/14/332004614.db2.gz BGOWIJUQELVEHL-UHFFFAOYSA-N 0 1 287.432 3.729 20 0 CHADMN C[C@@H]1CSCCN(Cc2cc(F)cc(Cl)c2)C1 ZINC000488407193 332004813 /nfs/dbraw/zinc/00/48/13/332004813.db2.gz MICGZMKJICVKCH-JTQLQIEISA-N 0 1 273.804 3.664 20 0 CHADMN Cc1ccn2c(CN(C)Cc3ccc(F)cc3C)cnc2c1 ZINC000488544890 332016390 /nfs/dbraw/zinc/01/63/90/332016390.db2.gz NHKUZHLOASMQKQ-UHFFFAOYSA-N 0 1 297.377 3.722 20 0 CHADMN COc1ccsc1CN(C)Cc1ccc(F)cc1C ZINC000488562793 332017567 /nfs/dbraw/zinc/01/75/67/332017567.db2.gz SMPSGGFJXMJBKC-UHFFFAOYSA-N 0 1 279.380 3.836 20 0 CHADMN CCN(C[C@H]1CCCO1)[C@@H](C)c1ccccc1Cl ZINC000488639376 332020579 /nfs/dbraw/zinc/02/05/79/332020579.db2.gz FVVUPNUGKOJMON-QWHCGFSZSA-N 0 1 267.800 3.902 20 0 CHADMN CC[C@H](O)CNc1cc(C)nc2c(C)cc(Cl)cc12 ZINC000488719848 332022595 /nfs/dbraw/zinc/02/25/95/332022595.db2.gz YQXFBJOQESKUIX-LBPRGKRZSA-N 0 1 278.783 3.688 20 0 CHADMN CCCN(CC)[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000488724472 332022952 /nfs/dbraw/zinc/02/29/52/332022952.db2.gz KCZFSYPDVDCVKS-LBPRGKRZSA-N 0 1 291.370 3.592 20 0 CHADMN C[C@@H](CC(=O)Nc1nc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000488891489 332032292 /nfs/dbraw/zinc/03/22/92/332032292.db2.gz BFISDDKNRJFFEM-NSHDSACASA-N 0 1 297.333 3.834 20 0 CHADMN CCCC1(C(=O)Nc2nc3ccc(F)cc3[nH]2)CCC1 ZINC000488901399 332032864 /nfs/dbraw/zinc/03/28/64/332032864.db2.gz SVPSMCXLSFHCNZ-UHFFFAOYSA-N 0 1 275.327 3.611 20 0 CHADMN Cc1ccc(CCC(=O)Nc2nc3ccc(F)cc3[nH]2)cc1 ZINC000488905689 332033160 /nfs/dbraw/zinc/03/31/60/332033160.db2.gz WQPPNJGSXANPEM-UHFFFAOYSA-N 0 1 297.333 3.582 20 0 CHADMN CCC1(C(=O)Nc2nc3ccc(F)cc3[nH]2)CCCC1 ZINC000488935862 332034356 /nfs/dbraw/zinc/03/43/56/332034356.db2.gz DSFCQNRCABTNPC-UHFFFAOYSA-N 0 1 275.327 3.611 20 0 CHADMN Cc1ccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)c(C)c1 ZINC000488963072 332035715 /nfs/dbraw/zinc/03/57/15/332035715.db2.gz VIWFGUQWJYYKGE-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C[C@H](C)C(C)(C)C)n[nH]1 ZINC000489253718 332044241 /nfs/dbraw/zinc/04/42/41/332044241.db2.gz PCLJWCNEHQGWFT-SDDRHHMPSA-N 0 1 294.443 3.568 20 0 CHADMN CCCC(CCC)C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000489280722 332044868 /nfs/dbraw/zinc/04/48/68/332044868.db2.gz NSHZIYOCLKRCLF-NWDGAFQWSA-N 0 1 294.443 3.712 20 0 CHADMN CCCC(CCC)C(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000489280723 332044992 /nfs/dbraw/zinc/04/49/92/332044992.db2.gz NSHZIYOCLKRCLF-RYUDHWBXSA-N 0 1 294.443 3.712 20 0 CHADMN Cc1ccc(-c2cc(CN(C)[C@@H]3CC3(C)C)on2)cc1 ZINC000489472053 332054583 /nfs/dbraw/zinc/05/45/83/332054583.db2.gz BTDSUENWWVBBKG-MRXNPFEDSA-N 0 1 270.376 3.880 20 0 CHADMN CC(C)c1ccc([C@@H]2CCCCN2C(=O)c2ccn[nH]2)cc1 ZINC000489482507 332055222 /nfs/dbraw/zinc/05/52/22/332055222.db2.gz LPTYXXXHWFZOHK-KRWDZBQOSA-N 0 1 297.402 3.901 20 0 CHADMN CC(C)(O)[C@H]1CCCN1Cc1ccc(Cl)cc1Cl ZINC000489651035 332063130 /nfs/dbraw/zinc/06/31/30/332063130.db2.gz SDPKDLVZNPBDNU-CYBMUJFWSA-N 0 1 288.218 3.729 20 0 CHADMN CN(Cc1noc(-c2ccccc2)n1)C1(C)CCCC1 ZINC000489847667 332070127 /nfs/dbraw/zinc/07/01/27/332070127.db2.gz YCXDKFXXAQOGJG-UHFFFAOYSA-N 0 1 271.364 3.501 20 0 CHADMN Cc1cccc(C)c1NC(=O)C[N@H+](C)C1(C)CCCC1 ZINC000489894626 332072140 /nfs/dbraw/zinc/07/21/40/332072140.db2.gz WMMVWWWUAACYQH-UHFFFAOYSA-N 0 1 274.408 3.506 20 0 CHADMN Cc1nc(C)c([C@H](C)N(C)Cc2ccoc2C)s1 ZINC000490464610 332089779 /nfs/dbraw/zinc/08/97/79/332089779.db2.gz PKZUQNKQOANVHJ-JTQLQIEISA-N 0 1 264.394 3.854 20 0 CHADMN c1c(CNCc2ccc3c(c2)CCCC3)nc2ccccn12 ZINC000490641511 332099193 /nfs/dbraw/zinc/09/91/93/332099193.db2.gz AJNSKGUFHFVGFO-UHFFFAOYSA-N 0 1 291.398 3.503 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@@H]1CC2CCC1CC2 ZINC000490744896 332112258 /nfs/dbraw/zinc/11/22/58/332112258.db2.gz IRSOUCNYUHTXTK-VQXHTEKXSA-N 0 1 279.767 3.810 20 0 CHADMN COc1c(O)cccc1CN(C)[C@@H](C)c1ccccc1C ZINC000491087606 332147499 /nfs/dbraw/zinc/14/74/99/332147499.db2.gz JVGSJPXFYSGYCH-AWEZNQCLSA-N 0 1 285.387 3.902 20 0 CHADMN c1sc(Nc2ccccc2)nc1CN1CC[C@@H](C2CC2)C1 ZINC000491163551 332158824 /nfs/dbraw/zinc/15/88/24/332158824.db2.gz WDHOCYXFSAGAPN-CQSZACIVSA-N 0 1 299.443 3.541 20 0 CHADMN COCCN[C@H](c1ccc(C)cc1)c1ccccc1Cl ZINC000491304968 332186379 /nfs/dbraw/zinc/18/63/79/332186379.db2.gz LPUIHBOYXKDANT-QGZVFWFLSA-N 0 1 289.806 3.974 20 0 CHADMN CCc1ccc([C@@H](NCCO)c2ccccc2Cl)cc1 ZINC000491367234 332197952 /nfs/dbraw/zinc/19/79/52/332197952.db2.gz LTLZPPFALLCEOH-QGZVFWFLSA-N 0 1 289.806 3.574 20 0 CHADMN CCc1ccsc1C(=O)Nc1cccc(Cl)c1O ZINC000172108908 335095370 /nfs/dbraw/zinc/09/53/70/335095370.db2.gz PFDYPTYQIGOWFO-UHFFFAOYSA-N 0 1 281.764 3.922 20 0 CHADMN C[C@@H](NCc1ccnc(C(F)(F)F)c1)c1ccoc1 ZINC000580525020 335097600 /nfs/dbraw/zinc/09/76/00/335097600.db2.gz WLIFUTPGXMYNGI-SECBINFHSA-N 0 1 270.254 3.544 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000575412561 335101836 /nfs/dbraw/zinc/10/18/36/335101836.db2.gz FBZOOVNJONCOOV-LPMFXHHGSA-N 0 1 297.398 3.943 20 0 CHADMN C[C@H]1C[C@@H](CN(C)Cc2c(F)cccc2Cl)CCO1 ZINC000491821851 332370980 /nfs/dbraw/zinc/37/09/80/332370980.db2.gz MLBUXOFFFJSCGX-RYUDHWBXSA-N 0 1 285.790 3.726 20 0 CHADMN COc1ccc(CNC(C)(C)c2ccccc2F)cc1 ZINC000492417083 332396458 /nfs/dbraw/zinc/39/64/58/332396458.db2.gz MWSZUKYDFURLKI-UHFFFAOYSA-N 0 1 273.351 3.859 20 0 CHADMN CCCc1csc(CNCCOC2CCCCC2)n1 ZINC000494041083 332461668 /nfs/dbraw/zinc/46/16/68/332461668.db2.gz ZHVQPIAXHYBFEI-UHFFFAOYSA-N 0 1 282.453 3.535 20 0 CHADMN CCOC[C@H](C)NCc1cc(Cl)c(OC)cc1Cl ZINC000494230203 332467244 /nfs/dbraw/zinc/46/72/44/332467244.db2.gz ILWIDLFURSZESK-VIFPVBQESA-N 0 1 292.206 3.517 20 0 CHADMN Cc1ccsc1[C@H](CO)NCc1ccc(C)cc1Cl ZINC000575754311 335112429 /nfs/dbraw/zinc/11/24/29/335112429.db2.gz SEASKJIBBFUPEL-AWEZNQCLSA-N 0 1 295.835 3.842 20 0 CHADMN C[C@@H]1CC[C@@H](NC(=O)c2ccc(O)c(Cl)c2)C[C@H]1C ZINC000251971922 334372771 /nfs/dbraw/zinc/37/27/71/334372771.db2.gz YEZQNOAEDFNZFI-CKYFFXLPSA-N 0 1 281.783 3.600 20 0 CHADMN CCOc1ncccc1CN[C@H](c1ccccc1)C(C)C ZINC000091283864 334375350 /nfs/dbraw/zinc/37/53/50/334375350.db2.gz WWGYBJBHXXEMPY-KRWDZBQOSA-N 0 1 284.403 3.967 20 0 CHADMN CO[C@@H]1CCC[C@H]1CN[C@@H](CCc1ccccc1)C(F)F ZINC000498769238 332572830 /nfs/dbraw/zinc/57/28/30/332572830.db2.gz ZITMFXZWFZSDFI-HRCADAONSA-N 0 1 297.389 3.658 20 0 CHADMN CCOC[C@@H]1CCN([C@H](C)c2cccc(Cl)c2F)C1 ZINC000248554230 334305869 /nfs/dbraw/zinc/30/58/69/334305869.db2.gz JYASUMHHEDFRIO-VXGBXAGGSA-N 0 1 285.790 3.899 20 0 CHADMN Cc1nc(CN[C@H](c2ccccc2)C2CCC2)[nH]c1C ZINC000566496134 334652657 /nfs/dbraw/zinc/65/26/57/334652657.db2.gz BLJGSMLXFDDNHB-QGZVFWFLSA-N 0 1 269.392 3.658 20 0 CHADMN CCCC[C@H](C)C(=O)Nc1cccc(Cl)c1O ZINC000503116481 332681766 /nfs/dbraw/zinc/68/17/66/332681766.db2.gz AOILBQJKOQEWLB-VIFPVBQESA-N 0 1 255.745 3.810 20 0 CHADMN CC[C@H](F)CN[C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503403995 332688675 /nfs/dbraw/zinc/68/86/75/332688675.db2.gz GLEMYQVTVNSGNQ-DDTOSNHZSA-N 0 1 255.764 3.913 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2csc(C(C)(C)C)n2)C1 ZINC000505346512 332738082 /nfs/dbraw/zinc/73/80/82/332738082.db2.gz WUSYCBYHWIBSTQ-VXGBXAGGSA-N 0 1 266.454 3.919 20 0 CHADMN Oc1ccc(F)c(CN[C@@H]2C[C@H]2C2CCCCC2)c1F ZINC000512116232 332954202 /nfs/dbraw/zinc/95/42/02/332954202.db2.gz NFULQJGNMBXLMI-SMDDNHRTSA-N 0 1 281.346 3.729 20 0 CHADMN CC[N@H+](Cc1cccc(O)c1Cl)CC1CCC1 ZINC000513391875 333016999 /nfs/dbraw/zinc/01/69/99/333016999.db2.gz GWXYULBKQCZAFD-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN CC[N@H+](Cc1cccc([O-])c1Cl)CC1CCC1 ZINC000513391875 333017002 /nfs/dbraw/zinc/01/70/02/333017002.db2.gz GWXYULBKQCZAFD-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN CC[C@H]1CN(Cc2cc(C)on2)CC[C@@H]1c1ccccc1 ZINC000174888654 333009963 /nfs/dbraw/zinc/00/99/63/333009963.db2.gz MXEFZUHGQCMNKC-YJBOKZPZSA-N 0 1 284.403 3.999 20 0 CHADMN C[C@H](NCCc1ccccc1Cl)c1c(F)cncc1F ZINC000513257550 333011288 /nfs/dbraw/zinc/01/12/88/333011288.db2.gz RRQJZRLRTDYDRU-JTQLQIEISA-N 0 1 296.748 3.907 20 0 CHADMN Cc1sccc1CN(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000513281556 333012462 /nfs/dbraw/zinc/01/24/62/333012462.db2.gz RIUPTNFRTFNWIE-UHFFFAOYSA-N 0 1 277.437 3.709 20 0 CHADMN C[C@@H]1CCC[C@@H](CCN2CCOC[C@H]2CC(F)F)C1 ZINC000513380931 333016670 /nfs/dbraw/zinc/01/66/70/333016670.db2.gz NGCACYVEFXCIAW-HZSPNIEDSA-N 0 1 275.383 3.559 20 0 CHADMN COc1ccccc1CCN(C)Cc1cc(F)ccc1F ZINC000513450028 333020334 /nfs/dbraw/zinc/02/03/34/333020334.db2.gz FPKLVBSHRSUUGI-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN COc1cccc([C@@H](C)N(C)Cc2ccccc2OC)c1 ZINC000175523734 333026201 /nfs/dbraw/zinc/02/62/01/333026201.db2.gz PKIPKVLZQWELOW-CQSZACIVSA-N 0 1 285.387 3.897 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@@H](C)C3(C)CC3)n[nH]2)cc1 ZINC000175797647 333032907 /nfs/dbraw/zinc/03/29/07/333032907.db2.gz BSOIPCLMNPLNQG-ZDUSSCGKSA-N 0 1 297.402 3.646 20 0 CHADMN CC(C)c1ccc(OC2CCN(Cc3cnc[nH]3)CC2)cc1 ZINC000575803954 335117091 /nfs/dbraw/zinc/11/70/91/335117091.db2.gz FUVCEHFFLYSAQY-UHFFFAOYSA-N 0 1 299.418 3.577 20 0 CHADMN COc1ccc(-c2ccccc2)cc1CN(C)[C@@H]1CCOC1 ZINC000513725608 333035769 /nfs/dbraw/zinc/03/57/69/333035769.db2.gz QSVGNNYRNYHCAX-GOSISDBHSA-N 0 1 297.398 3.583 20 0 CHADMN Cc1ccc(CNCc2ccsc2Cl)cc1 ZINC000309696362 333047450 /nfs/dbraw/zinc/04/74/50/333047450.db2.gz LDUVESZEFRPNHI-UHFFFAOYSA-N 0 1 251.782 4.000 20 0 CHADMN COc1ccc(C)cc1CN(C)Cc1cccc(N(C)C)c1 ZINC000513960355 333055355 /nfs/dbraw/zinc/05/53/55/333055355.db2.gz GFIKIWGCOYQFPV-UHFFFAOYSA-N 0 1 298.430 3.702 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1C[C@H](OC)c1ccc(Cl)cc1 ZINC000513970955 333056674 /nfs/dbraw/zinc/05/66/74/333056674.db2.gz APJGTKFNIBGEFW-MAZHCROVSA-N 0 1 297.826 3.527 20 0 CHADMN CC[N@@H+](CCSc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000514004647 333058981 /nfs/dbraw/zinc/05/89/81/333058981.db2.gz PCMKSMANBBZBSK-CQSZACIVSA-N 0 1 299.867 3.933 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)N3CC[C@@H](C)C3)n2)cc1F ZINC000514006560 333059509 /nfs/dbraw/zinc/05/95/09/333059509.db2.gz MKESSBMRAPLFLV-PWSUYJOCSA-N 0 1 289.354 3.587 20 0 CHADMN CCc1cnc(CN(C)[C@H](C)Cc2ccccc2C)o1 ZINC000516708494 333081174 /nfs/dbraw/zinc/08/11/74/333081174.db2.gz ITULQZJXTUUURU-CQSZACIVSA-N 0 1 272.392 3.608 20 0 CHADMN CC[C@@H](C)NC(=O)CN(CC)Cc1ccc2ccccc2c1 ZINC000516747885 333081641 /nfs/dbraw/zinc/08/16/41/333081641.db2.gz AKUFESVVWPBZGH-OAHLLOKOSA-N 0 1 298.430 3.576 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@H]2c2cccs2)cc1C(=O)[O-] ZINC000516976029 333088556 /nfs/dbraw/zinc/08/85/56/333088556.db2.gz ROGMTOJQKUHPDY-ZDUSSCGKSA-N 0 1 291.372 3.685 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@@H]2c2cccs2)cc1C(=O)[O-] ZINC000516976028 333088583 /nfs/dbraw/zinc/08/85/83/333088583.db2.gz ROGMTOJQKUHPDY-CYBMUJFWSA-N 0 1 291.372 3.685 20 0 CHADMN CCN(Cc1ccc(Cl)cc1Cl)C[C@@H](C)OC ZINC000575828522 335120356 /nfs/dbraw/zinc/12/03/56/335120356.db2.gz RKMKPSDBFUTYBU-SNVBAGLBSA-N 0 1 276.207 3.850 20 0 CHADMN CC(C)CCC[N@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000517042059 333090687 /nfs/dbraw/zinc/09/06/87/333090687.db2.gz KKXUQVYKEVDFJY-JKSUJKDBSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CC[C@H]1CCC[C@@H](C)C1 ZINC000517161703 333093586 /nfs/dbraw/zinc/09/35/86/333093586.db2.gz YXAUUZDPPDTFAL-RBSFLKMASA-N 0 1 269.429 3.634 20 0 CHADMN Cc1cc(CNc2cc3c(cn2)CCC3)c(C)s1 ZINC000517249627 333095977 /nfs/dbraw/zinc/09/59/77/333095977.db2.gz MSZSAELABIYQRH-UHFFFAOYSA-N 0 1 258.390 3.861 20 0 CHADMN CC(C)c1nc([C@@H](C)NCc2cccc(C3CC3)c2)n[nH]1 ZINC000517728577 333106730 /nfs/dbraw/zinc/10/67/30/333106730.db2.gz WEEXANLYYKXDNV-GFCCVEGCSA-N 0 1 284.407 3.656 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cc(C)ccc3C)[nH]c2c1 ZINC000521220288 333115474 /nfs/dbraw/zinc/11/54/74/333115474.db2.gz MBQAIBJMUMKHRW-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN C[C@H](CCC1CC1)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000184066027 333124969 /nfs/dbraw/zinc/12/49/69/333124969.db2.gz ANQJUSFRMGSTOP-GHMZBOCLSA-N 0 1 265.401 3.596 20 0 CHADMN Cc1cncc([C@H](C)NCc2ccc(Cl)s2)c1 ZINC000184313046 333126880 /nfs/dbraw/zinc/12/68/80/333126880.db2.gz OIYCKFDFYGWXHJ-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN CCCC[C@@H]1CCC[C@H]1N[C@@H](C)c1nc(C2CC2)no1 ZINC000184702280 333131522 /nfs/dbraw/zinc/13/15/22/333131522.db2.gz MRQBPEPLWHORGK-OUCADQQQSA-N 0 1 277.412 3.957 20 0 CHADMN CC(C)c1nc([C@H](C)NCCOc2ccccc2)cs1 ZINC000184721606 333132012 /nfs/dbraw/zinc/13/20/12/333132012.db2.gz JRNISQSYSPPVDQ-ZDUSSCGKSA-N 0 1 290.432 3.996 20 0 CHADMN CC1(C)C[C@H](N[C@H](CCO)c2ccco2)c2ccccc21 ZINC000186521043 333162199 /nfs/dbraw/zinc/16/21/99/333162199.db2.gz HVULNEDWNXRBBV-CVEARBPZSA-N 0 1 285.387 3.715 20 0 CHADMN CC(C)[C@@H](N[C@@H](CCO)c1ccco1)c1ccccc1 ZINC000186525232 333162501 /nfs/dbraw/zinc/16/25/01/333162501.db2.gz OLJOTWZCKULGRV-DOTOQJQBSA-N 0 1 273.376 3.690 20 0 CHADMN Fc1cccc(CN(Cc2cnccn2)C2CCCC2)c1 ZINC000521569050 333178816 /nfs/dbraw/zinc/17/88/16/333178816.db2.gz JNHICJHYLFPHIT-UHFFFAOYSA-N 0 1 285.366 3.561 20 0 CHADMN C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000521583815 333179175 /nfs/dbraw/zinc/17/91/75/333179175.db2.gz XMLBPRGPLXTADF-RYUDHWBXSA-N 0 1 271.364 3.718 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(C)cc2)c(F)c1 ZINC000222280662 333179608 /nfs/dbraw/zinc/17/96/08/333179608.db2.gz GNUPFVLIYQCAQN-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN C[C@H](NCc1cnc2ccccn12)c1cc2ccccc2o1 ZINC000189098365 333180846 /nfs/dbraw/zinc/18/08/46/333180846.db2.gz BLAUOJXCTCOBTH-ZDUSSCGKSA-N 0 1 291.354 3.931 20 0 CHADMN Clc1ccc([C@@H](NCc2cnccn2)C2CCC2)cc1 ZINC000564178805 333184170 /nfs/dbraw/zinc/18/41/70/333184170.db2.gz WLGXMQJRGONXOC-INIZCTEOSA-N 0 1 287.794 3.761 20 0 CHADMN Cc1cc(CNCc2ccnn2C)ccc1-c1ccccc1 ZINC000189505328 333194062 /nfs/dbraw/zinc/19/40/62/333194062.db2.gz UBCOOKQQJSAJRE-UHFFFAOYSA-N 0 1 291.398 3.685 20 0 CHADMN C[C@H](NC[C@H]1CCC[N@@H+]1C)c1cc(Cl)ccc1Cl ZINC000222704510 333198974 /nfs/dbraw/zinc/19/89/74/333198974.db2.gz HQIBGZDQTATTPM-CMPLNLGQSA-N 0 1 287.234 3.738 20 0 CHADMN CCc1cccc(CN(Cc2cccnc2)C2CC2)c1 ZINC000189770992 333199063 /nfs/dbraw/zinc/19/90/63/333199063.db2.gz MWRJLDDKIYSREE-UHFFFAOYSA-N 0 1 266.388 3.809 20 0 CHADMN C[C@@H]1CSCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000190475068 333207370 /nfs/dbraw/zinc/20/73/70/333207370.db2.gz DNGAUJBBSMEBQM-LBPRGKRZSA-N 0 1 261.390 3.618 20 0 CHADMN c1ccc2c(c1)CN(C[C@H]1CCC3(CCCCC3)O1)C2 ZINC000190965100 333212923 /nfs/dbraw/zinc/21/29/23/333212923.db2.gz VJLLLEAOMFRVPM-QGZVFWFLSA-N 0 1 271.404 3.884 20 0 CHADMN CC(C)CCOCCN[C@H](C)c1cccc(F)c1F ZINC000223940343 333214075 /nfs/dbraw/zinc/21/40/75/333214075.db2.gz HSZHUVWSFMVGFB-GFCCVEGCSA-N 0 1 271.351 3.678 20 0 CHADMN C[C@H](N[C@H]1CCCC1(C)C)c1nc(C(C)(C)C)no1 ZINC000191571803 333221653 /nfs/dbraw/zinc/22/16/53/333221653.db2.gz URNQSMAJGXCCLI-QWRGUYRKSA-N 0 1 265.401 3.596 20 0 CHADMN CCCC1CCC([N@@H+](C)Cc2cncs2)CC1 ZINC000191808405 333225622 /nfs/dbraw/zinc/22/56/22/333225622.db2.gz FMTWRVAHQYKVFQ-UHFFFAOYSA-N 0 1 252.427 3.934 20 0 CHADMN Fc1cc(F)c(CNCCOC2CCCCC2)cc1F ZINC000225265863 333234605 /nfs/dbraw/zinc/23/46/05/333234605.db2.gz NRSGWURVSMKUGI-UHFFFAOYSA-N 0 1 287.325 3.543 20 0 CHADMN Cc1c([C@H](C)NCc2ccc(-c3ccccc3)o2)cnn1C ZINC000192948924 333240584 /nfs/dbraw/zinc/24/05/84/333240584.db2.gz HZCBVWDFFAOZOE-ZDUSSCGKSA-N 0 1 295.386 3.839 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@@H]1COCc2ccccc21 ZINC000225979630 333244045 /nfs/dbraw/zinc/24/40/45/333244045.db2.gz VNUXXQHUFJDZBQ-KBXCAEBGSA-N 0 1 267.372 3.917 20 0 CHADMN c1ccc2c(c1)CC[C@H]2N[C@@H]1COCc2ccccc21 ZINC000225979916 333244232 /nfs/dbraw/zinc/24/42/32/333244232.db2.gz MUXIHZRAAMSUSE-QZTJIDSGSA-N 0 1 265.356 3.535 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H]2COCc3ccccc32)cc1 ZINC000225991425 333244575 /nfs/dbraw/zinc/24/45/75/333244575.db2.gz VEJQYJFRWGDDMF-KDOFPFPSSA-N 0 1 267.372 3.917 20 0 CHADMN COc1cccc([C@H](C)N[C@H]2COCc3ccccc32)c1 ZINC000225991487 333244702 /nfs/dbraw/zinc/24/47/02/333244702.db2.gz MAUYMLRRYWOUQT-UGSOOPFHSA-N 0 1 283.371 3.617 20 0 CHADMN Cc1ccc2nc(SCCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000195112313 333245756 /nfs/dbraw/zinc/24/57/56/333245756.db2.gz QEXFKHLSFXQMLD-CQSZACIVSA-N 0 1 292.404 3.507 20 0 CHADMN CCOc1ccc(CN[C@H]2c3ccccc3O[C@H]2C)cc1 ZINC000575900966 335129400 /nfs/dbraw/zinc/12/94/00/335129400.db2.gz VVAGSUVCTJINNN-SCLBCKFNSA-N 0 1 283.371 3.697 20 0 CHADMN CC[N@@H+](Cc1cccnc1OC)[C@@H](C)Cc1ccsc1 ZINC000193567914 333253299 /nfs/dbraw/zinc/25/32/99/333253299.db2.gz CGJQRTKZHOTOEL-ZDUSSCGKSA-N 0 1 290.432 3.605 20 0 CHADMN CN(CCNCc1c(F)cccc1Cl)c1ccccc1 ZINC000195569169 333255908 /nfs/dbraw/zinc/25/59/08/333255908.db2.gz RPFOXYRNSATAKX-UHFFFAOYSA-N 0 1 292.785 3.705 20 0 CHADMN C[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)C1CCCC1 ZINC000195750265 333263844 /nfs/dbraw/zinc/26/38/44/333263844.db2.gz FUVPEPSFQMSYFS-UHFFFAOYSA-N 0 1 295.430 3.735 20 0 CHADMN CN(Cc1nn(-c2ccccc2)c2c1CCC2)C1CCCC1 ZINC000195750265 333263845 /nfs/dbraw/zinc/26/38/45/333263845.db2.gz FUVPEPSFQMSYFS-UHFFFAOYSA-N 0 1 295.430 3.735 20 0 CHADMN CC(C)CO[C@@H]1CCN(Cc2cc(Cl)cs2)C1 ZINC000194433905 333271074 /nfs/dbraw/zinc/27/10/74/333271074.db2.gz UEICQTFJUKRSJS-GFCCVEGCSA-N 0 1 273.829 3.648 20 0 CHADMN C[C@@H]1C[C@@H](N[C@@H](c2ccco2)c2ccccc2)CS1 ZINC000227502809 333283731 /nfs/dbraw/zinc/28/37/31/333283731.db2.gz TVQAHKNQKDEKJF-XNRPHZJLSA-N 0 1 273.401 3.853 20 0 CHADMN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000227535673 333285358 /nfs/dbraw/zinc/28/53/58/333285358.db2.gz YRERCEXIKGLHDO-ZYHUDNBSSA-N 0 1 281.783 3.744 20 0 CHADMN COC(=O)[C@H](N[C@@H](CCC(C)C)C(C)(C)C)C(C)C ZINC000522386998 333285853 /nfs/dbraw/zinc/28/58/53/333285853.db2.gz RGRIIKIVINTRSL-UONOGXRCSA-N 0 1 271.445 3.625 20 0 CHADMN C[C@H](NC(c1ccccc1)c1ccccc1)c1cn[nH]c1 ZINC000229637519 333307227 /nfs/dbraw/zinc/30/72/27/333307227.db2.gz HQABFJVKUCNRET-AWEZNQCLSA-N 0 1 277.371 3.850 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccc(C(=O)OC)o1)c1cccs1 ZINC000230624603 333319182 /nfs/dbraw/zinc/31/91/82/333319182.db2.gz HRXFVOGTLNPISI-WDEREUQCSA-N 0 1 293.388 3.930 20 0 CHADMN COc1ccc(C)cc1CNC1(c2cccc(F)c2)CC1 ZINC000523523287 333332175 /nfs/dbraw/zinc/33/21/75/333332175.db2.gz QUPCVTPTBJVTHI-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN CCc1ccc(-c2noc(CN3CCC[C@H]3CC)n2)cc1 ZINC000523609506 333334232 /nfs/dbraw/zinc/33/42/32/333334232.db2.gz VMOPKAAEZAJEDV-OAHLLOKOSA-N 0 1 285.391 3.673 20 0 CHADMN COc1cc(CN2CCc3ccccc3C2)ccc1SC ZINC000303424033 333341986 /nfs/dbraw/zinc/34/19/86/333341986.db2.gz VHUJBNVCSFXYLI-UHFFFAOYSA-N 0 1 299.439 3.975 20 0 CHADMN Cc1cccc(NC(=O)CN2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000303617467 333344564 /nfs/dbraw/zinc/34/45/64/333344564.db2.gz WLLGJHDALVGSFU-IBGZPJMESA-N 0 1 298.430 3.756 20 0 CHADMN CCc1ccc([C@@H](NC(=O)c2[nH]nc(C)c2C)C(C)C)cc1 ZINC000524520857 333364571 /nfs/dbraw/zinc/36/45/71/333364571.db2.gz GZUOEAUQSBIEQZ-INIZCTEOSA-N 0 1 299.418 3.716 20 0 CHADMN CSc1ccc([C@@H](C)N[C@H](C)c2ccnn2C)cc1 ZINC000235077332 333365701 /nfs/dbraw/zinc/36/57/01/333365701.db2.gz SDUMWQUFFJCBFH-VXGBXAGGSA-N 0 1 275.421 3.554 20 0 CHADMN CSc1ccc([C@H](C)N[C@@H](C)c2ccnn2C)cc1 ZINC000235089132 333365818 /nfs/dbraw/zinc/36/58/18/333365818.db2.gz SDUMWQUFFJCBFH-RYUDHWBXSA-N 0 1 275.421 3.554 20 0 CHADMN CN(CCCC(=O)OC(C)(C)C)Cc1ccccc1Cl ZINC000524593845 333367534 /nfs/dbraw/zinc/36/75/34/333367534.db2.gz UOARLCUSVIRANS-UHFFFAOYSA-N 0 1 297.826 3.894 20 0 CHADMN C[C@@H](C(=O)OC(C)(C)C)N1CCC[C@@]2(CC=CCC2)C1 ZINC000524596440 333367907 /nfs/dbraw/zinc/36/79/07/333367907.db2.gz CWXUXYDZZQYCTO-YOEHRIQHSA-N 0 1 279.424 3.539 20 0 CHADMN CN([C@@H](c1cnn(C)c1)c1cccc(F)c1)[C@@H]1C=CCCC1 ZINC000524597570 333367962 /nfs/dbraw/zinc/36/79/62/333367962.db2.gz HBPQANQYVBWILX-QZTJIDSGSA-N 0 1 299.393 3.689 20 0 CHADMN CN([C@H](c1cnn(C)c1)c1cccc(F)c1)[C@@H]1C=CCCC1 ZINC000524597569 333368019 /nfs/dbraw/zinc/36/80/19/333368019.db2.gz HBPQANQYVBWILX-MSOLQXFVSA-N 0 1 299.393 3.689 20 0 CHADMN Cc1ccsc1CNc1nccn1-c1ccccc1 ZINC000235782134 333372199 /nfs/dbraw/zinc/37/21/99/333372199.db2.gz OSKLZENUWXYGAQ-UHFFFAOYSA-N 0 1 269.373 3.854 20 0 CHADMN Fc1ccc(CNc2nccn2-c2ccccc2)cc1F ZINC000236170712 333373178 /nfs/dbraw/zinc/37/31/78/333373178.db2.gz UPFFSOAPXHUMNO-UHFFFAOYSA-N 0 1 285.297 3.763 20 0 CHADMN Cc1ccc(-c2noc(CN3C[C@H](C)CC[C@@H]3C)n2)cc1 ZINC000524753267 333386204 /nfs/dbraw/zinc/38/62/04/333386204.db2.gz DQXLBBMSOQWNEB-KGLIPLIRSA-N 0 1 285.391 3.665 20 0 CHADMN CCc1ccccc1CNCc1nn(CC)c2ccccc12 ZINC000316504613 333397143 /nfs/dbraw/zinc/39/71/43/333397143.db2.gz XFZURJCPOVPBKJ-UHFFFAOYSA-N 0 1 293.414 3.908 20 0 CHADMN CCCN(Cc1c(Cl)cccc1Cl)CC(C)(C)O ZINC000525112442 333398748 /nfs/dbraw/zinc/39/87/48/333398748.db2.gz SKRJFQRBNZFEGY-UHFFFAOYSA-N 0 1 290.234 3.976 20 0 CHADMN FC(F)(F)OCCNCc1cc(Cl)ccc1Cl ZINC000398121367 333431821 /nfs/dbraw/zinc/43/18/21/333431821.db2.gz IJZNYZUGXKAJSX-UHFFFAOYSA-N 0 1 288.096 3.619 20 0 CHADMN C/C(Cl)=C/CN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000528437460 333437621 /nfs/dbraw/zinc/43/76/21/333437621.db2.gz NQYHZQDLRZZPQD-FSBNRTBOSA-N 0 1 292.810 3.607 20 0 CHADMN C/C(Cl)=C\CN[C@@H](C)c1ccc(Br)cn1 ZINC000528491490 333441534 /nfs/dbraw/zinc/44/15/34/333441534.db2.gz XEIPJPREORDKQR-QRJSTWQJSA-N 0 1 289.604 3.637 20 0 CHADMN COCCC1CCN(Cc2ccc(Cl)c(OC)c2)CC1 ZINC000528583124 333447246 /nfs/dbraw/zinc/44/72/46/333447246.db2.gz PBYWWMBXRIGGPT-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN CC[C@H](NCc1cnoc1C)c1cc(C)ccc1C ZINC000528800437 333458949 /nfs/dbraw/zinc/45/89/49/333458949.db2.gz REJBELFVIRGRAI-INIZCTEOSA-N 0 1 258.365 3.841 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H]2CCCC23CC3)c1 ZINC000529409487 333484993 /nfs/dbraw/zinc/48/49/93/333484993.db2.gz HPBISHLLYIMPSV-GFCCVEGCSA-N 0 1 287.359 3.504 20 0 CHADMN FC(F)Oc1ccc(CN2CC(Cc3ccco3)C2)cc1 ZINC000529651816 333503964 /nfs/dbraw/zinc/50/39/64/333503964.db2.gz LCOOHBYBVZLFQC-UHFFFAOYSA-N 0 1 293.313 3.556 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(C)cc2)c(F)c1 ZINC000037214557 333515696 /nfs/dbraw/zinc/51/56/96/333515696.db2.gz CQUQCRXWGHDMRV-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN COc1ccc([C@H](C)NCc2cnc(C)s2)cc1Cl ZINC000123669541 333550545 /nfs/dbraw/zinc/55/05/45/333550545.db2.gz WUUZQUJBZDRASQ-VIFPVBQESA-N 0 1 296.823 3.964 20 0 CHADMN C[C@@H](N[C@@H](C)C1CCCCC1)c1nc(C2CC2)no1 ZINC000174139970 335148808 /nfs/dbraw/zinc/14/88/08/335148808.db2.gz BFKCBMLKTDLMJD-WDEREUQCSA-N 0 1 263.385 3.566 20 0 CHADMN C[C@@H](c1cccc(F)c1)N1CCN([C@@H]2C=CCCC2)CC1 ZINC000538784292 333629517 /nfs/dbraw/zinc/62/95/17/333629517.db2.gz KOFYXSXRQVCEJN-MAUKXSAKSA-N 0 1 288.410 3.613 20 0 CHADMN C[C@@H](c1cccc(F)c1)N1CCN([C@H]2C=CCCC2)CC1 ZINC000538784294 333629519 /nfs/dbraw/zinc/62/95/19/333629519.db2.gz KOFYXSXRQVCEJN-YJBOKZPZSA-N 0 1 288.410 3.613 20 0 CHADMN CO[C@H](c1ccc(F)cc1)[C@H](C)NCc1ccc(Cl)o1 ZINC000538876684 333641689 /nfs/dbraw/zinc/64/16/89/333641689.db2.gz SHHMCJNLZGHOIL-BONVTDFDSA-N 0 1 297.757 3.938 20 0 CHADMN CCc1cnc(CN[C@@H](C)C(C)(C)c2ccccc2)o1 ZINC000539253422 333663263 /nfs/dbraw/zinc/66/32/63/333663263.db2.gz DXLDVFADVQFBCI-ZDUSSCGKSA-N 0 1 272.392 3.693 20 0 CHADMN COc1cc(C)nc(CNC2(c3ccccc3)CCCC2)c1 ZINC000539712081 333686771 /nfs/dbraw/zinc/68/67/71/333686771.db2.gz HERLJDDNZICBRN-UHFFFAOYSA-N 0 1 296.414 3.958 20 0 CHADMN C[C@H](N[C@H](CO)c1cccc(F)c1)c1cccc(Cl)c1 ZINC000540183349 333718517 /nfs/dbraw/zinc/71/85/17/333718517.db2.gz RFFLWVTWUAVZFR-MEDUHNTESA-N 0 1 293.769 3.863 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000540954001 333755400 /nfs/dbraw/zinc/75/54/00/333755400.db2.gz UAZMFQWIIJEIOY-KBPBESRZSA-N 0 1 286.423 3.833 20 0 CHADMN C[C@@H](O)C[C@H](C)Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000541192090 333764553 /nfs/dbraw/zinc/76/45/53/333764553.db2.gz YONLYFXDZQJRMK-VHSXEESVSA-N 0 1 298.308 3.825 20 0 CHADMN CC(C)c1noc(CN[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n1 ZINC000541611051 333784001 /nfs/dbraw/zinc/78/40/01/333784001.db2.gz FGZZXBHVUQRAHN-MGPQQGTHSA-N 0 1 279.428 3.743 20 0 CHADMN CCCCN[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000541687427 333786895 /nfs/dbraw/zinc/78/68/95/333786895.db2.gz SXMVNFNTJGYJQU-LLVKDONJSA-N 0 1 277.343 3.635 20 0 CHADMN Cc1oncc1CN[C@@H](C)c1ccc2ccccc2c1 ZINC000129686707 333788111 /nfs/dbraw/zinc/78/81/11/333788111.db2.gz WEUPQRVCSQJRJX-LBPRGKRZSA-N 0 1 266.344 3.987 20 0 CHADMN Cc1oncc1CN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000129701454 333790135 /nfs/dbraw/zinc/79/01/35/333790135.db2.gz OYKMEWJTZBUBBO-GFCCVEGCSA-N 0 1 270.376 3.713 20 0 CHADMN COC(C)(C)CNCc1csc(-c2ccc(C)cc2)n1 ZINC000174595623 335160097 /nfs/dbraw/zinc/16/00/97/335160097.db2.gz CSNXJDKSNGFZSU-UHFFFAOYSA-N 0 1 290.432 3.633 20 0 CHADMN C[C@H](NC/C=C/c1ccccc1)c1ccc(F)cn1 ZINC000542776227 333839805 /nfs/dbraw/zinc/83/98/05/333839805.db2.gz CJOVWNNAHHSTJN-LJLILKBBSA-N 0 1 256.324 3.585 20 0 CHADMN COc1cncc(/C=C\CCn2c(C)nc3c2CCCC3)c1 ZINC000576173416 335165213 /nfs/dbraw/zinc/16/52/13/335165213.db2.gz PETAMHNIWMEHKF-ALCCZGGFSA-N 0 1 297.402 3.577 20 0 CHADMN Cc1ccc(-c2nnc([C@@H](C)NC3(C4CC4)CC3)o2)cc1C ZINC000544415000 333930293 /nfs/dbraw/zinc/93/02/93/333930293.db2.gz HNJLMUAABQDGBJ-CYBMUJFWSA-N 0 1 297.402 3.947 20 0 CHADMN CC[C@@H](N[C@@H](c1ccccc1C)C1CC1)c1ccn(C)n1 ZINC000544567623 333936098 /nfs/dbraw/zinc/93/60/98/333936098.db2.gz DRNYOIDNELOTOF-SJLPKXTDSA-N 0 1 283.419 3.921 20 0 CHADMN CN(C)Cc1cc(-c2noc(CC(C)(C)C)n2)ccc1F ZINC000545745795 333997818 /nfs/dbraw/zinc/99/78/18/333997818.db2.gz BIEHDIZOVNYIAL-UHFFFAOYSA-N 0 1 291.370 3.526 20 0 CHADMN CC1=CCN(CCN[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000545866069 334003387 /nfs/dbraw/zinc/00/33/87/334003387.db2.gz ZCMBNBZDGWJWCR-LJQANCHMSA-N 0 1 296.414 3.611 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@@H]1CCc3ccccc31)CO2 ZINC000545942677 334008246 /nfs/dbraw/zinc/00/82/46/334008246.db2.gz FSLIWYMRUWDSAJ-CVEARBPZSA-N 0 1 269.319 3.536 20 0 CHADMN C(=C\[C@H]1CCCCCN1Cc1cnccn1)\c1cccs1 ZINC000564300304 334016893 /nfs/dbraw/zinc/01/68/93/334016893.db2.gz BMUUSJWSFLAHCZ-XITLMJRVSA-N 0 1 299.443 3.996 20 0 CHADMN CCC1CCC(N(Cc2ncc(C)o2)C2CC2)CC1 ZINC000075641476 334048012 /nfs/dbraw/zinc/04/80/12/334048012.db2.gz BXDHKSIKGGJQEQ-UHFFFAOYSA-N 0 1 262.397 3.916 20 0 CHADMN c1coc(CNCc2cccc(OCc3ccccn3)c2)c1 ZINC000075733888 334049647 /nfs/dbraw/zinc/04/96/47/334049647.db2.gz BSZFLZBPBCBOJB-UHFFFAOYSA-N 0 1 294.354 3.543 20 0 CHADMN Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]3CCC[C@@H]32)c(C)c1 ZINC000075769359 334050844 /nfs/dbraw/zinc/05/08/44/334050844.db2.gz OAPLSUKKTQRLGN-WBVHZDCISA-N 0 1 286.419 3.506 20 0 CHADMN CCS[C@@H]1CC[C@H](N(C)Cc2ccncc2Cl)C1 ZINC000076070535 334069807 /nfs/dbraw/zinc/06/98/07/334069807.db2.gz LLJRORQZMAJGGX-QWHCGFSZSA-N 0 1 284.856 3.841 20 0 CHADMN COCc1ccc(CN[C@@]2(C)CCCc3ccccc32)o1 ZINC000547288742 334076367 /nfs/dbraw/zinc/07/63/67/334076367.db2.gz PBDRASPVVWAELQ-SFHVURJKSA-N 0 1 285.387 3.767 20 0 CHADMN Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2nc(C(C)C)no2)C1 ZINC000076386152 334080293 /nfs/dbraw/zinc/08/02/93/334080293.db2.gz DUJARXHUZLQKAU-CABCVRRESA-N 0 1 299.418 3.879 20 0 CHADMN CO[C@@]1(C)C[C@@H](NCc2csc(C(C)(C)C)n2)C1(C)C ZINC000237159028 334082614 /nfs/dbraw/zinc/08/26/14/334082614.db2.gz ILPMJDHYRSIGKM-WBMJQRKESA-N 0 1 296.480 3.734 20 0 CHADMN C[C@@H](NCc1cccc2c1OC(C)(C)C2)c1cccc(O)c1 ZINC000134268507 334086108 /nfs/dbraw/zinc/08/61/08/334086108.db2.gz JHRCNSNCAPQYOY-CYBMUJFWSA-N 0 1 297.398 3.957 20 0 CHADMN Cn1cc(C(C)(C)NCc2ccc(Cl)c(Cl)c2)cn1 ZINC000547410383 334086602 /nfs/dbraw/zinc/08/66/02/334086602.db2.gz OAXNCQOQNMFHAD-UHFFFAOYSA-N 0 1 298.217 3.752 20 0 CHADMN Cc1cccc(C(C)(C)NCc2cccc3c2OCO3)c1 ZINC000076764220 334088535 /nfs/dbraw/zinc/08/85/35/334088535.db2.gz AQBXEMMMKSMQPU-UHFFFAOYSA-N 0 1 283.371 3.749 20 0 CHADMN C[C@@H](CC(=O)Nc1cc(F)cc(Cl)c1O)n1cccc1 ZINC000547458279 334090124 /nfs/dbraw/zinc/09/01/24/334090124.db2.gz QMYSETJBTMKHJH-VIFPVBQESA-N 0 1 296.729 3.576 20 0 CHADMN CCCc1noc(CN(CC(C)C)CC(C)(C)C)n1 ZINC000134465900 334091237 /nfs/dbraw/zinc/09/12/37/334091237.db2.gz BXRIPCGIOVHPTL-UHFFFAOYSA-N 0 1 267.417 3.526 20 0 CHADMN CCOc1ccc(OCCOc2cc(C)nc(C)c2)cc1 ZINC000547492091 334093906 /nfs/dbraw/zinc/09/39/06/334093906.db2.gz GGNVZGZQVFWPFJ-UHFFFAOYSA-N 0 1 287.359 3.555 20 0 CHADMN CCC[C@@H]1CCCC[C@@H]1NCc1ncn(-c2ccccc2)n1 ZINC000547509242 334096341 /nfs/dbraw/zinc/09/63/41/334096341.db2.gz PALCZKIFEJQAOG-WBVHZDCISA-N 0 1 298.434 3.716 20 0 CHADMN C[C@H]1CCCCCN1Cc1cncc(Br)c1 ZINC000134650254 334099240 /nfs/dbraw/zinc/09/92/40/334099240.db2.gz OPGRUAHNXUDOFA-NSHDSACASA-N 0 1 283.213 3.609 20 0 CHADMN c1ccc([C@H]2CCCC[C@@H]2NCc2nnc(C3CC3)o2)cc1 ZINC000547559956 334101067 /nfs/dbraw/zinc/10/10/67/334101067.db2.gz AWEQGOOSQXZWDW-CVEARBPZSA-N 0 1 297.402 3.763 20 0 CHADMN Cc1ccccc1[C@@H](C(C)C)N(C)Cc1ccon1 ZINC000077312535 334102102 /nfs/dbraw/zinc/10/21/02/334102102.db2.gz FMBJYNFSGPNYFK-MRXNPFEDSA-N 0 1 258.365 3.812 20 0 CHADMN COc1cccc(F)c1[C@H](C)NCc1ccccc1C ZINC000134772550 334103686 /nfs/dbraw/zinc/10/36/86/334103686.db2.gz QFZFDRUYTNAMQC-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccccc1Br ZINC000134969612 334110030 /nfs/dbraw/zinc/11/00/30/334110030.db2.gz JZNHTBNXGYKILZ-WDEREUQCSA-N 0 1 268.198 3.679 20 0 CHADMN Cc1cc(F)cc(NC(=O)c2cn[nH]c2-c2ccccc2)c1 ZINC000135040191 334113445 /nfs/dbraw/zinc/11/34/45/334113445.db2.gz CJLVTKMFZZEXCU-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1nccs1 ZINC000135103481 334115510 /nfs/dbraw/zinc/11/55/10/334115510.db2.gz QWPRTXZDFUVMGV-HNNXBMFYSA-N 0 1 274.433 3.905 20 0 CHADMN C[C@H](c1ccc(Br)cc1)N1[C@H](C)C[C@H]1C ZINC000547769921 334116292 /nfs/dbraw/zinc/11/62/92/334116292.db2.gz CFMWEUWGAFQXND-GMTAPVOTSA-N 0 1 268.198 3.993 20 0 CHADMN CC[C@@H](NCc1cnccc1C)c1ccccc1OC ZINC000135442221 334130031 /nfs/dbraw/zinc/13/00/31/334130031.db2.gz DQRNDKXCFJVEGA-MRXNPFEDSA-N 0 1 270.376 3.640 20 0 CHADMN CC(C)(O)[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000547982415 334133378 /nfs/dbraw/zinc/13/33/78/334133378.db2.gz WEVMPMQRLYTFNT-ZDUSSCGKSA-N 0 1 288.218 3.729 20 0 CHADMN C[C@H]1C[C@@H](c2cccnc2)N(Cc2cnc(C3CC3)s2)C1 ZINC000547997485 334134438 /nfs/dbraw/zinc/13/44/38/334134438.db2.gz XCMYAASUFPXOBI-LRDDRELGSA-N 0 1 299.443 3.999 20 0 CHADMN C[C@@H]1CN(Cc2cccc(C(F)F)c2)C[C@H](C)S1 ZINC000548095768 334139436 /nfs/dbraw/zinc/13/94/36/334139436.db2.gz LLAKNTXFCZUBRT-PHIMTYICSA-N 0 1 271.376 3.950 20 0 CHADMN C[C@@H]1C[C@@H](C)N1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000548096976 334139708 /nfs/dbraw/zinc/13/97/08/334139708.db2.gz CKFANRMWZJWVDY-HUUCEWRRSA-N 0 1 294.398 3.922 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cccc(C)c1C ZINC000136031192 334144569 /nfs/dbraw/zinc/14/45/69/334144569.db2.gz LBBSCNNAUZLOSG-UHFFFAOYSA-N 0 1 271.364 3.711 20 0 CHADMN FC(F)(F)CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000079078320 334147319 /nfs/dbraw/zinc/14/73/19/334147319.db2.gz OOJQPESIPMLENB-VOTSOKGWSA-N 0 1 285.294 3.630 20 0 CHADMN CCCN(Cc1nc(Cc2ccccc2C)no1)CC1CC1 ZINC000079435609 334154292 /nfs/dbraw/zinc/15/42/92/334154292.db2.gz FPGGPICQDRLLBK-UHFFFAOYSA-N 0 1 299.418 3.591 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000136987865 334166768 /nfs/dbraw/zinc/16/67/68/334166768.db2.gz UHZQCXKQWPBSFN-QWHCGFSZSA-N 0 1 289.423 3.718 20 0 CHADMN C[C@H](C(=O)Nc1cccc2ccccc21)N1[C@H](C)C[C@H]1C ZINC000548754265 334170081 /nfs/dbraw/zinc/17/00/81/334170081.db2.gz MRBCWHYIKDPHQP-MGPQQGTHSA-N 0 1 282.387 3.650 20 0 CHADMN CC(C)C[C@H]1CCN(Cc2nc(-c3ccsc3)no2)C1 ZINC000080642666 334172899 /nfs/dbraw/zinc/17/28/99/334172899.db2.gz UBEVEKDEBGNTLT-GFCCVEGCSA-N 0 1 291.420 3.666 20 0 CHADMN CC=Cc1ccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000548799677 334174724 /nfs/dbraw/zinc/17/47/24/334174724.db2.gz HONKUYGKEDXZIT-NSRYLSIASA-N 0 1 296.374 3.642 20 0 CHADMN Cc1nc2cc(N[C@H]3CC[C@@H]3C3CCC3)ccc2n1C ZINC000548881368 334178596 /nfs/dbraw/zinc/17/85/96/334178596.db2.gz ILIOEDGMGNXTHL-CABCVRRESA-N 0 1 269.392 3.872 20 0 CHADMN C[C@H](N[C@H]1CC[C@H]1C1CCC1)c1noc(-c2ccccc2)n1 ZINC000548883612 334178734 /nfs/dbraw/zinc/17/87/34/334178734.db2.gz MLUFNROYGONWQA-RCBQFDQVSA-N 0 1 297.402 3.966 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000081179684 334180359 /nfs/dbraw/zinc/18/03/59/334180359.db2.gz GYIOBUQPGOEVMU-IUODEOHRSA-N 0 1 277.412 3.574 20 0 CHADMN Cc1ccccc1[C@H]1CN(CCSC(C)C)[C@H](C)CO1 ZINC000548919701 334180450 /nfs/dbraw/zinc/18/04/50/334180450.db2.gz SNBIEMPLBKCMBP-NVXWUHKLSA-N 0 1 293.476 3.898 20 0 CHADMN CCc1cnc(CN(C)[C@H](C)C2CCCCC2)o1 ZINC000548930752 334180693 /nfs/dbraw/zinc/18/06/93/334180693.db2.gz SBSQMURQMZETCS-GFCCVEGCSA-N 0 1 250.386 3.638 20 0 CHADMN CCOc1ccc2nc(S[C@@H]3CCC[C@@H]3OC)[nH]c2c1 ZINC000549013342 334182600 /nfs/dbraw/zinc/18/26/00/334182600.db2.gz UOYUJUJQPYTNAB-UONOGXRCSA-N 0 1 292.404 3.621 20 0 CHADMN C[C@@H](c1cccc2ccccc21)N1CCC(=O)[C@H](C)C1 ZINC000549066192 334184385 /nfs/dbraw/zinc/18/43/85/334184385.db2.gz MXLUXRNWXFJKCD-KGLIPLIRSA-N 0 1 267.372 3.812 20 0 CHADMN FC(F)O[C@H]1CCN(C/C=C\c2ccc(Cl)cc2)C1 ZINC000549081329 334184810 /nfs/dbraw/zinc/18/48/10/334184810.db2.gz PWBXNDDETYYMTR-FYDYADQUSA-N 0 1 287.737 3.667 20 0 CHADMN Cc1nc(CN2C[C@@H](C)CC[C@H]2C)nc2ccccc12 ZINC000245442303 334193862 /nfs/dbraw/zinc/19/38/62/334193862.db2.gz HXHOUXVNWAPPOM-QWHCGFSZSA-N 0 1 269.392 3.559 20 0 CHADMN CC(C)C[C@H]1CCN([C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000245482729 334196532 /nfs/dbraw/zinc/19/65/32/334196532.db2.gz DLRMNJAVZJJUHY-CHWSQXEVSA-N 0 1 279.428 3.796 20 0 CHADMN C[C@H](c1c(F)cccc1F)N(C)C[C@H]1CCCC[C@H]1O ZINC000245542227 334202048 /nfs/dbraw/zinc/20/20/48/334202048.db2.gz JWASZACHFBZJTD-LALPHHSUSA-N 0 1 283.362 3.509 20 0 CHADMN CCc1ccc(CN2CCC[C@H]2c2ccc(OC)cc2)nc1 ZINC000549742463 334203359 /nfs/dbraw/zinc/20/33/59/334203359.db2.gz ZTIOEUVCBYYKGZ-IBGZPJMESA-N 0 1 296.414 3.990 20 0 CHADMN Cc1c2cccc(Cl)c2sc1CNCc1cc[nH]n1 ZINC000549754972 334203784 /nfs/dbraw/zinc/20/37/84/334203784.db2.gz WTCZFIDIGIJICK-UHFFFAOYSA-N 0 1 291.807 3.876 20 0 CHADMN F[C@]1(c2cccc(Cl)c2)CCN(C[C@H]2CCSC2)C1 ZINC000549821279 334205853 /nfs/dbraw/zinc/20/58/53/334205853.db2.gz RLOXSAOIRZXKDM-IUODEOHRSA-N 0 1 299.842 3.964 20 0 CHADMN c1cc(-c2n[nH]cc2CNc2cc3c(cn2)CCC3)cs1 ZINC000549928074 334209332 /nfs/dbraw/zinc/20/93/32/334209332.db2.gz LUCDDAQJIYUBKH-UHFFFAOYSA-N 0 1 296.399 3.634 20 0 CHADMN C[C@H]1CCN(Cc2cccc3nccn32)[C@@H](c2ccco2)C1 ZINC000245638870 334209733 /nfs/dbraw/zinc/20/97/33/334209733.db2.gz CVTNFXIJYRRHCK-GOEBONIOSA-N 0 1 295.386 3.901 20 0 CHADMN COc1ccccc1CN1CCS[C@H]2CCCC[C@H]21 ZINC000245684726 334212146 /nfs/dbraw/zinc/21/21/46/334212146.db2.gz AILWIWCIHVIGTE-ZBFHGGJFSA-N 0 1 277.433 3.555 20 0 CHADMN COc1ccc(F)c(CNCCO[C@@H]2CCCC[C@H]2C)c1 ZINC000550099627 334212933 /nfs/dbraw/zinc/21/29/33/334212933.db2.gz DJCWHRAGIUKHEV-CXAGYDPISA-N 0 1 295.398 3.519 20 0 CHADMN Cc1c(Br)cccc1CN1C[C@H](C)[C@H]1C ZINC000550305848 334219563 /nfs/dbraw/zinc/21/95/63/334219563.db2.gz KDBXSCYCHLGANO-GXSJLCMTSA-N 0 1 268.198 3.598 20 0 CHADMN C[C@H]1CCN(Cc2coc(-c3cccs3)n2)C[C@H]1C ZINC000245845878 334221515 /nfs/dbraw/zinc/22/15/15/334221515.db2.gz CDWJJOROBMBVQJ-NWDGAFQWSA-N 0 1 276.405 3.881 20 0 CHADMN CC(C)[C@@H]1CN(CCc2c(F)cccc2Cl)CCCO1 ZINC000550558296 334224319 /nfs/dbraw/zinc/22/43/19/334224319.db2.gz GQBHZEOWDMRZOB-INIZCTEOSA-N 0 1 299.817 3.769 20 0 CHADMN Cn1ccnc1[C@@H](NCC(C)(C)C)c1ccc(Cl)cc1 ZINC000550619989 334225390 /nfs/dbraw/zinc/22/53/90/334225390.db2.gz RVKTZCUIOMHFDQ-AWEZNQCLSA-N 0 1 291.826 3.799 20 0 CHADMN CC[C@@H](N[C@H](C)c1cn2ccccc2n1)c1ccncc1 ZINC000550910261 334233185 /nfs/dbraw/zinc/23/31/85/334233185.db2.gz NOJWBUAJEDDZCX-UKRRQHHQSA-N 0 1 280.375 3.531 20 0 CHADMN CCOc1ccc(CNCc2occc2C)cc1Cl ZINC000551237007 334241925 /nfs/dbraw/zinc/24/19/25/334241925.db2.gz HTLJPWJNRPGULK-UHFFFAOYSA-N 0 1 279.767 3.930 20 0 CHADMN CC(F)(F)CN[C@H]1CCCC[C@H]1c1ccccc1 ZINC000551255814 334243259 /nfs/dbraw/zinc/24/32/59/334243259.db2.gz TWVHIUHTYOTEHP-KBPBESRZSA-N 0 1 253.336 3.958 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CCC[C@@H](OC)C1 ZINC000247114758 334275892 /nfs/dbraw/zinc/27/58/92/334275892.db2.gz PIKQCOWJDHAWMG-IUODEOHRSA-N 0 1 269.335 3.527 20 0 CHADMN CC1=CC[C@@H](N[C@H](c2nccn2C)c2ccccc2)CC1 ZINC000551983370 334269011 /nfs/dbraw/zinc/26/90/11/334269011.db2.gz IDAJKSJZQFRDSL-SJORKVTESA-N 0 1 281.403 3.598 20 0 CHADMN C[C@H](c1ccc(Cl)cc1Cl)N(C)CC[C@H](C)O ZINC000247553442 334285385 /nfs/dbraw/zinc/28/53/85/334285385.db2.gz QDBBRJMZGQOSCA-VHSXEESVSA-N 0 1 276.207 3.757 20 0 CHADMN c1ccc(-c2noc(CN3CCC[C@@H]4CCC[C@H]43)n2)cc1 ZINC000247693006 334288599 /nfs/dbraw/zinc/28/85/99/334288599.db2.gz WFXFOJFENYKMCA-DZGCQCFKSA-N 0 1 283.375 3.501 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2noc(-c3ccsc3)n2)[C@@H](C)C1 ZINC000248566753 334306417 /nfs/dbraw/zinc/30/64/17/334306417.db2.gz PDZINWVUDPHBGK-NTZNESFSSA-N 0 1 291.420 3.712 20 0 CHADMN Oc1cc(Cl)ccc1-c1nc([C@H]2Cc3ccccc32)no1 ZINC000086492392 334310458 /nfs/dbraw/zinc/31/04/58/334310458.db2.gz ROWCOOLVKUEPCQ-ZDUSSCGKSA-N 0 1 298.729 3.784 20 0 CHADMN Fc1ccc([C@@H]2CCN(Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000552272332 334310947 /nfs/dbraw/zinc/31/09/47/334310947.db2.gz KWBWMDZBOBKFHG-CQSZACIVSA-N 0 1 295.361 3.692 20 0 CHADMN COC[C@H]1CCN1C/C(C)=C/c1ccccc1C(F)(F)F ZINC000552315397 334316002 /nfs/dbraw/zinc/31/60/02/334316002.db2.gz QNWGSXKQKWJZGS-BRADTZPFSA-N 0 1 299.336 3.829 20 0 CHADMN COC(=O)[C@@H]1CCN([C@H](C)c2cccc(Cl)c2)C[C@@H]1C ZINC000249035378 334325409 /nfs/dbraw/zinc/32/54/09/334325409.db2.gz FXLNGKODTYKJCP-YWPYICTPSA-N 0 1 295.810 3.532 20 0 CHADMN CC[C@H](c1ccccc1)N1CC[S@](=O)C(CC)(CC)C1 ZINC000249059494 334326175 /nfs/dbraw/zinc/32/61/75/334326175.db2.gz YEBFIYLEAGVLSX-UZLBHIALSA-N 0 1 293.476 3.761 20 0 CHADMN CCc1noc([C@H](C)N[C@@H]2CCC[C@H]2CCC(C)C)n1 ZINC000249099669 334327622 /nfs/dbraw/zinc/32/76/22/334327622.db2.gz WBLLRBLKYRITSK-MELADBBJSA-N 0 1 279.428 3.888 20 0 CHADMN CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@H]1c1cccs1 ZINC000249349908 334332369 /nfs/dbraw/zinc/33/23/69/334332369.db2.gz WIGGBJBAMQJKMQ-IHRRRGAJSA-N 0 1 294.464 3.578 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)C[C@@H](O)CC(F)(F)F ZINC000249379526 334332994 /nfs/dbraw/zinc/33/29/94/334332994.db2.gz QFERPDYKAJSROC-UWVGGRQHSA-N 0 1 295.732 3.646 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCC[C@@H](C)[C@H]1C ZINC000250517120 334345558 /nfs/dbraw/zinc/34/55/58/334345558.db2.gz PBHJEGKDELCFHJ-ZIAGYGMSSA-N 0 1 289.419 3.908 20 0 CHADMN CCOC[C@@H](C)N[C@@H](c1ccccc1)c1ccccc1OC ZINC000089555001 334346559 /nfs/dbraw/zinc/34/65/59/334346559.db2.gz UBWQSVJYPCDMPG-BEFAXECRSA-N 0 1 299.414 3.799 20 0 CHADMN Cn1nccc1CN[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000089695935 334348809 /nfs/dbraw/zinc/34/88/09/334348809.db2.gz DTWQZTKLBDYQGY-CQSZACIVSA-N 0 1 296.201 3.504 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CCCSCC1 ZINC000089984005 334354798 /nfs/dbraw/zinc/35/47/98/334354798.db2.gz GWRKBIFDEDBNTA-AWEZNQCLSA-N 0 1 271.376 3.855 20 0 CHADMN CC[C@H](CSC)N(C)Cc1nc(C)c2ccccc2n1 ZINC000091098308 334371921 /nfs/dbraw/zinc/37/19/21/334371921.db2.gz STYJJYGRMNEJOV-CYBMUJFWSA-N 0 1 289.448 3.512 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1cc(-c2cccs2)on1 ZINC000091099706 334372309 /nfs/dbraw/zinc/37/23/09/334372309.db2.gz PGZGAGQYTWDHIU-LBPRGKRZSA-N 0 1 296.461 3.977 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000091782137 334383056 /nfs/dbraw/zinc/38/30/56/334383056.db2.gz XDOMRYDHWLBXEU-JSGCOSHPSA-N 0 1 285.343 3.528 20 0 CHADMN CCOc1ccccc1C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000091827038 334384055 /nfs/dbraw/zinc/38/40/55/334384055.db2.gz YKELMCVYHFDGBU-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN CCC1(Cc2ccccc2)CCN(Cc2ccon2)CC1 ZINC000564404126 334507478 /nfs/dbraw/zinc/50/74/78/334507478.db2.gz MPDONPVXBKMZQI-UHFFFAOYSA-N 0 1 284.403 3.910 20 0 CHADMN CCc1cccc(CNCc2ccccc2OCCOC)c1 ZINC000564578601 334512682 /nfs/dbraw/zinc/51/26/82/334512682.db2.gz WYZIHROJLZIOFZ-UHFFFAOYSA-N 0 1 299.414 3.564 20 0 CHADMN CC[C@H](F)CN1CCC(c2cccc(F)c2F)CC1 ZINC000564628821 334514433 /nfs/dbraw/zinc/51/44/33/334514433.db2.gz YTKQCSWVRBVKOE-LBPRGKRZSA-N 0 1 271.326 3.892 20 0 CHADMN C[C@H](N[C@H]1CO[C@H](C)C1)c1csc(-c2ccccc2)n1 ZINC000565303425 334551049 /nfs/dbraw/zinc/55/10/49/334551049.db2.gz OAGSYVUVQQEFBR-MBNYWOFBSA-N 0 1 288.416 3.638 20 0 CHADMN CC(C)=CCN1CCC(c2ncccc2Cl)CC1 ZINC000565385006 334558559 /nfs/dbraw/zinc/55/85/59/334558559.db2.gz LKYGWBPSSYHOHI-UHFFFAOYSA-N 0 1 264.800 3.881 20 0 CHADMN Cc1nc2cc(NCc3cc(C)c(O)c(C)c3)ccc2n1C ZINC000565508808 334569407 /nfs/dbraw/zinc/56/94/07/334569407.db2.gz YOWMNTHAXGNMBJ-UHFFFAOYSA-N 0 1 295.386 3.816 20 0 CHADMN Cc1ccncc1NCc1nc(C(C)C)n2ccccc12 ZINC000566624541 334658228 /nfs/dbraw/zinc/65/82/28/334658228.db2.gz CBFJDFIKMVDANN-UHFFFAOYSA-N 0 1 280.375 3.773 20 0 CHADMN Cc1cc(CN[C@H]2C[C@H](C)c3c2cccc3C)on1 ZINC000153606715 334674578 /nfs/dbraw/zinc/67/45/78/334674578.db2.gz VELDVEKJDBKPQO-NHYWBVRUSA-N 0 1 256.349 3.630 20 0 CHADMN CCc1noc([C@H](C)N2CCC(C)(c3ccccc3)CC2)n1 ZINC000153655430 334676014 /nfs/dbraw/zinc/67/60/14/334676014.db2.gz VOVHRUHOPVBBFV-AWEZNQCLSA-N 0 1 299.418 3.747 20 0 CHADMN Fc1cccnc1CN[C@H]1CCCCc2ccccc21 ZINC000154874611 334706106 /nfs/dbraw/zinc/70/61/06/334706106.db2.gz JOIZTEYMKWWCRW-INIZCTEOSA-N 0 1 270.351 3.778 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H]1C1CCC1)c1nc(C(C)(C)C)no1 ZINC000567490701 334725134 /nfs/dbraw/zinc/72/51/34/334725134.db2.gz WTIGYZCWCKDBSW-UHTWSYAYSA-N 0 1 277.412 3.596 20 0 CHADMN CCO[C@H]1C[C@@H]1NC1c2ccccc2-c2ccccc21 ZINC000568021121 334785165 /nfs/dbraw/zinc/78/51/65/334785165.db2.gz TZVHOMRZOFYQDE-IRXDYDNUSA-N 0 1 265.356 3.523 20 0 CHADMN Cn1ccnc1[C@H](NC1CCC2(CC2)CC1)c1ccccc1 ZINC000568157430 334797473 /nfs/dbraw/zinc/79/74/73/334797473.db2.gz ZTCOZXHEEQZMOT-QGZVFWFLSA-N 0 1 295.430 3.822 20 0 CHADMN FC1(F)CC(NCc2ccc(Cl)cc2Cl)C1 ZINC000277700874 334816472 /nfs/dbraw/zinc/81/64/72/334816472.db2.gz RIHDPVGUEHJRIM-UHFFFAOYSA-N 0 1 266.118 3.881 20 0 CHADMN COc1ccc(Cl)cc1CN1CCC(C)(C)CC1 ZINC000568888364 334845467 /nfs/dbraw/zinc/84/54/67/334845467.db2.gz MEPMDEUWFOKIEO-UHFFFAOYSA-N 0 1 267.800 3.971 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@H]3C[C@@H]3C3CCCCC3)c2[nH]1 ZINC000576371319 335195864 /nfs/dbraw/zinc/19/58/64/335195864.db2.gz JEORUMHFRSPDBW-ZBFHGGJFSA-N 0 1 297.402 3.570 20 0 CHADMN Cc1ccoc1CNCc1cccc(Br)c1C ZINC000576411006 335200935 /nfs/dbraw/zinc/20/09/35/335200935.db2.gz CTDBQQNDGAPERS-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN CC[C@H](NCc1ccc(COC)o1)c1cccs1 ZINC000343491559 335205270 /nfs/dbraw/zinc/20/52/70/335205270.db2.gz QUVCWAODDAKSMQ-ZDUSSCGKSA-N 0 1 265.378 3.728 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@@H]1C[C@H]1C1CC1 ZINC000175919847 335217942 /nfs/dbraw/zinc/21/79/42/335217942.db2.gz GYSDIDYMHZETEQ-UONOGXRCSA-N 0 1 295.386 3.815 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000576685387 335234489 /nfs/dbraw/zinc/23/44/89/335234489.db2.gz VSGAFUJMRFDEQE-ZBFHGGJFSA-N 0 1 281.440 3.780 20 0 CHADMN CSc1ccc(CN[C@H](CO)c2ccccc2C)s1 ZINC000576911991 335263067 /nfs/dbraw/zinc/26/30/67/335263067.db2.gz VAYOUGBSCZEVQC-CQSZACIVSA-N 0 1 293.457 3.602 20 0 CHADMN C[C@@H](NCCCC1CCCC1)c1nc(C(C)(C)C)no1 ZINC000192683711 335289844 /nfs/dbraw/zinc/28/98/44/335289844.db2.gz XGJUZCCDELPUMN-GFCCVEGCSA-N 0 1 279.428 3.988 20 0 CHADMN Cc1cc([C@@H](C)NCCSCc2ccc(C)cc2)no1 ZINC000577151645 335309369 /nfs/dbraw/zinc/30/93/69/335309369.db2.gz KBKLKDBACFBTOJ-CQSZACIVSA-N 0 1 290.432 3.875 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CCC2(CCO2)CC1 ZINC000577161453 335312630 /nfs/dbraw/zinc/31/26/30/335312630.db2.gz VDEKHYCHIRONOW-LLVKDONJSA-N 0 1 283.774 3.795 20 0 CHADMN CC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1cccs1 ZINC000345345112 335316491 /nfs/dbraw/zinc/31/64/91/335316491.db2.gz BUUILRSTWXWBIB-GRYCIOLGSA-N 0 1 261.394 3.691 20 0 CHADMN CCC[C@@H](NCc1cnc(C)n1C)c1ccc(F)cc1F ZINC000577231744 335327747 /nfs/dbraw/zinc/32/77/47/335327747.db2.gz PIYIWIDXCOAUDJ-MRXNPFEDSA-N 0 1 293.361 3.638 20 0 CHADMN COCC[C@H](NCc1ccc2[nH]ccc2c1)c1ccc(C)o1 ZINC000577231918 335327814 /nfs/dbraw/zinc/32/78/14/335327814.db2.gz SWQXSJWYOPOMCU-KRWDZBQOSA-N 0 1 298.386 3.937 20 0 CHADMN CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1ccn(C)c1 ZINC000577247694 335329551 /nfs/dbraw/zinc/32/95/51/335329551.db2.gz LSWYMLZAODQWGJ-INIZCTEOSA-N 0 1 272.392 3.617 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1ccccc1OC)c1ccsc1 ZINC000577262109 335331540 /nfs/dbraw/zinc/33/15/40/335331540.db2.gz NBONLORCLIGKTI-CABCVRRESA-N 0 1 291.416 3.531 20 0 CHADMN O=C([O-])CCCC[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000577297109 335336781 /nfs/dbraw/zinc/33/67/81/335336781.db2.gz ZQTLSFAMNJSQCC-INIZCTEOSA-N 0 1 287.403 3.511 20 0 CHADMN CC(C)=CCC[C@H](C)CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000577377035 335344896 /nfs/dbraw/zinc/34/48/96/335344896.db2.gz SXLKNNZJQWTTAY-DZGCQCFKSA-N 0 1 289.423 3.676 20 0 CHADMN C[C@H]1c2c(F)cccc2CCN1CCC(C)(F)F ZINC000577466874 335355297 /nfs/dbraw/zinc/35/52/97/335355297.db2.gz CODPMUVIAUNNCK-JTQLQIEISA-N 0 1 257.299 3.790 20 0 CHADMN Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000577522235 335364552 /nfs/dbraw/zinc/36/45/52/335364552.db2.gz ZVXCLCNCLHYVQR-NSHDSACASA-N 0 1 291.322 3.618 20 0 CHADMN Cc1ccc(F)c(C[N@H+](C)[C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000577522235 335364554 /nfs/dbraw/zinc/36/45/54/335364554.db2.gz ZVXCLCNCLHYVQR-NSHDSACASA-N 0 1 291.322 3.618 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cn3ccsc3n2)c1C ZINC000177759043 335402244 /nfs/dbraw/zinc/40/22/44/335402244.db2.gz IYWUFCHOTYVSMH-CYBMUJFWSA-N 0 1 285.416 3.863 20 0 CHADMN CC(C)C(=O)Nc1ccc(CN[C@H](C)c2ccoc2)cc1 ZINC000178481409 335434023 /nfs/dbraw/zinc/43/40/23/335434023.db2.gz RWXUUIDQKGEZKZ-CYBMUJFWSA-N 0 1 286.375 3.725 20 0 CHADMN Cc1nsc(C)c1CN1CCC(CC(F)(F)F)CC1 ZINC000577960574 335439920 /nfs/dbraw/zinc/43/99/20/335439920.db2.gz MDDIZYDKWPIVIB-UHFFFAOYSA-N 0 1 292.370 3.924 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@H]2N[C@@H](CO)c1ccsc1 ZINC000349430791 335467536 /nfs/dbraw/zinc/46/75/36/335467536.db2.gz SPSBCHYFHFXNMS-WQVCFCJDSA-N 0 1 287.428 3.928 20 0 CHADMN C[C@H](c1ccsc1)c1nc(-c2ccn3cncc3c2)no1 ZINC000351071163 335563326 /nfs/dbraw/zinc/56/33/26/335563326.db2.gz DCGHOZPGTAWXGW-SNVBAGLBSA-N 0 1 296.355 3.598 20 0 CHADMN CCO[C@@H]1C[C@H]1NC(c1ccccc1)c1ccccc1 ZINC000579433475 335753144 /nfs/dbraw/zinc/75/31/44/335753144.db2.gz AVNVRACHUVSWCP-IAGOWNOFSA-N 0 1 267.372 3.543 20 0 CHADMN Cc1oncc1CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000181757253 335783647 /nfs/dbraw/zinc/78/36/47/335783647.db2.gz JPEVHLDMEUMGLK-INIZCTEOSA-N 0 1 274.339 3.753 20 0 CHADMN C[C@@H](NCc1cocn1)C(c1ccccc1)c1ccccc1 ZINC000182064214 335797196 /nfs/dbraw/zinc/79/71/96/335797196.db2.gz RTMDQGUXZZERBM-OAHLLOKOSA-N 0 1 292.382 3.985 20 0 CHADMN CC[C@H](NCCOCCC(C)C)c1nc(C)cs1 ZINC000184341691 335923885 /nfs/dbraw/zinc/92/38/85/335923885.db2.gz AVXWGUFLVCTQJI-ZDUSSCGKSA-N 0 1 270.442 3.555 20 0 CHADMN Cc1cnc([C@@H](C)NCCCOc2ccccc2C)s1 ZINC000184976711 335943331 /nfs/dbraw/zinc/94/33/31/335943331.db2.gz OCQBFRXUISYDLS-CQSZACIVSA-N 0 1 290.432 3.880 20 0 CHADMN CC[C@@]1(CO)CCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000581161101 336016912 /nfs/dbraw/zinc/01/69/12/336016912.db2.gz VAYRRLWZXCSWMF-AWEZNQCLSA-N 0 1 288.218 3.730 20 0 CHADMN CC(C)C[C@H]1CCCCC[N@H+]1Cc1occc1C(=O)[O-] ZINC000581256466 336033039 /nfs/dbraw/zinc/03/30/39/336033039.db2.gz WKEOUHPGJXQNMR-CYBMUJFWSA-N 0 1 279.380 3.769 20 0 CHADMN Cc1nc(-c2ccc(CNCc3conc3C)cc2)cs1 ZINC000581264411 336034444 /nfs/dbraw/zinc/03/44/44/336034444.db2.gz OMZGAEVZUOIVMN-UHFFFAOYSA-N 0 1 299.399 3.705 20 0 CHADMN COC(=O)c1sccc1CN1CCC2(C1)CCCCC2 ZINC000381014381 336043901 /nfs/dbraw/zinc/04/39/01/336043901.db2.gz AHMRQTIUGZWXJQ-UHFFFAOYSA-N 0 1 293.432 3.691 20 0 CHADMN CCc1cccc(CN[C@H](C)c2n[nH]c([C@@H](C)CC)n2)c1 ZINC000581315193 336047125 /nfs/dbraw/zinc/04/71/25/336047125.db2.gz UZJNAFGBFLGEFT-QWHCGFSZSA-N 0 1 286.423 3.731 20 0 CHADMN CC1(C)CN(C(=O)c2ccc(O)c(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC000381117069 336050714 /nfs/dbraw/zinc/05/07/14/336050714.db2.gz KMEJASOEXYIZBV-WCQYABFASA-N 0 1 293.794 3.696 20 0 CHADMN CCC[C@H]1CCCCN1Cc1ccsc1C(=O)OC ZINC000381194092 336054638 /nfs/dbraw/zinc/05/46/38/336054638.db2.gz JKJCMGVDNVOIRJ-ZDUSSCGKSA-N 0 1 281.421 3.689 20 0 CHADMN Cc1nc2c(n1C[C@@H]1CCCCC1(F)F)CCCC2 ZINC000381564662 336068484 /nfs/dbraw/zinc/06/84/84/336068484.db2.gz XAHZSIOUZHYJJA-LBPRGKRZSA-N 0 1 268.351 3.896 20 0 CHADMN CC[C@H]1CCCN(Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000381725922 336071824 /nfs/dbraw/zinc/07/18/24/336071824.db2.gz SDFSBPQRTSDBNS-LBPRGKRZSA-N 0 1 295.810 3.749 20 0 CHADMN CCO[C@@H]1C[C@H](N(C)Cc2c(C)nsc2C)C12CCC2 ZINC000581555965 336102460 /nfs/dbraw/zinc/10/24/60/336102460.db2.gz FGWUBZZNFUVIQZ-LSDHHAIUSA-N 0 1 294.464 3.539 20 0 CHADMN Cc1ccc(C)c(CN[C@H]2c3ccccc3O[C@H]2C)c1 ZINC000581570796 336104741 /nfs/dbraw/zinc/10/47/41/336104741.db2.gz KYNDKQAABSPIRB-KBXCAEBGSA-N 0 1 267.372 3.915 20 0 CHADMN Cc1ccsc1C[N@H+](C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000383729834 336117097 /nfs/dbraw/zinc/11/70/97/336117097.db2.gz LWYRKCJNULEBDV-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN Cc1nnsc1CN[C@@H](CC(C)C)c1ccccc1 ZINC000384250139 336122717 /nfs/dbraw/zinc/12/27/17/336122717.db2.gz LUUOHYUECXWDBP-AWEZNQCLSA-N 0 1 275.421 3.724 20 0 CHADMN CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000384312349 336123680 /nfs/dbraw/zinc/12/36/80/336123680.db2.gz NTVBGDTYHPUQCE-PWSUYJOCSA-N 0 1 253.773 3.666 20 0 CHADMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1cccc([O-])c1Cl ZINC000384312349 336123681 /nfs/dbraw/zinc/12/36/81/336123681.db2.gz NTVBGDTYHPUQCE-PWSUYJOCSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1C[C@@H](NCc2c(Cl)cccc2Cl)[C@@H](C)O1 ZINC000384541592 336125320 /nfs/dbraw/zinc/12/53/20/336125320.db2.gz DZERBFJHPPKZIO-JRKPZEMJSA-N 0 1 274.191 3.649 20 0 CHADMN C[C@@H](N[C@H](c1cccnc1)C1CC1)c1cn2ccccc2n1 ZINC000581677286 336127202 /nfs/dbraw/zinc/12/72/02/336127202.db2.gz VYMCIYTZKWYXJZ-ACJLOTCBSA-N 0 1 292.386 3.531 20 0 CHADMN C[C@H](N[C@@H](c1cccnc1)C1CC1)c1cn2ccccc2n1 ZINC000581677288 336127382 /nfs/dbraw/zinc/12/73/82/336127382.db2.gz VYMCIYTZKWYXJZ-SCLBCKFNSA-N 0 1 292.386 3.531 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC3(C2)CCCCC3)cc1F ZINC000385056133 336136487 /nfs/dbraw/zinc/13/64/87/336136487.db2.gz XKJSPKWKNBUCSQ-UHFFFAOYSA-N 0 1 291.366 3.680 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCC1=CCCCC1 ZINC000385104027 336138271 /nfs/dbraw/zinc/13/82/71/336138271.db2.gz BLGJRDNFFVDPOA-JYJNAYRXSA-N 0 1 277.408 3.595 20 0 CHADMN CC[N@@H+](CCc1ccccc1)Cc1ccsc1C(=O)[O-] ZINC000581731494 336139449 /nfs/dbraw/zinc/13/94/49/336139449.db2.gz CPYLLMMVQVKOHT-UHFFFAOYSA-N 0 1 289.400 3.511 20 0 CHADMN c1cc(CN(C[C@@H]2CCC3(CCCC3)O2)C2CC2)ccn1 ZINC000581836798 336150419 /nfs/dbraw/zinc/15/04/19/336150419.db2.gz ORMAUIATBVTOPL-KRWDZBQOSA-N 0 1 286.419 3.538 20 0 CHADMN C[C@@H](N[C@@H](C)c1c(F)cccc1Cl)[C@@H]1CCCO1 ZINC000386419620 336173132 /nfs/dbraw/zinc/17/31/32/336173132.db2.gz ZFYYIKKHEXEBGM-NRUUGDAUSA-N 0 1 271.763 3.697 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(-c2ccc(F)c(F)c2)no1 ZINC000386682223 336177074 /nfs/dbraw/zinc/17/70/74/336177074.db2.gz QBQVGOUIFYYZFI-GFCCVEGCSA-N 0 1 295.333 3.712 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])[C@H](CC)c1ccc(Cl)cc1 ZINC000086775690 521563161 /nfs/dbraw/zinc/56/31/61/521563161.db2.gz IGOINFBOTBSYGM-CYBMUJFWSA-N 0 1 269.772 3.588 20 0 CHADMN CCOC(CN1CC(C)(C)[C@H]1c1cccs1)OCC ZINC000367866292 521630772 /nfs/dbraw/zinc/63/07/72/521630772.db2.gz SWNGKJMKAQAHBW-CQSZACIVSA-N 0 1 283.437 3.530 20 0 CHADMN CCC1(CC)CCN(Cc2ccsc2C(=O)OC)C1 ZINC000336891427 521687886 /nfs/dbraw/zinc/68/78/86/521687886.db2.gz ITJUURWBCDQQST-UHFFFAOYSA-N 0 1 281.421 3.547 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(C)ccc2C)nc1 ZINC000355074783 533875599 /nfs/dbraw/zinc/87/55/99/533875599.db2.gz JARJXIYJWBUHEJ-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN C[C@@H]1CCC[C@H](c2noc(-c3cc4cccnc4[nH]3)n2)C1 ZINC000333890737 533883363 /nfs/dbraw/zinc/88/33/63/533883363.db2.gz XAANMSNUHNCIKD-MNOVXSKESA-N 0 1 282.347 3.907 20 0 CHADMN CS[C@@H]1CCCCN(c2ccnc(C)c2Cl)C1 ZINC000355092382 533945276 /nfs/dbraw/zinc/94/52/76/533945276.db2.gz JVKYYVDEOWHVTN-LLVKDONJSA-N 0 1 270.829 3.765 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(F)(F)F)C2(C)C)cn1 ZINC000336055041 533948468 /nfs/dbraw/zinc/94/84/68/533948468.db2.gz XHKYYIABBCBZHJ-LBPRGKRZSA-N 0 1 272.314 3.553 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@H]1C)c1nc(C2CCCCC2)no1 ZINC000330142058 533987860 /nfs/dbraw/zinc/98/78/60/533987860.db2.gz XZXMJDNNNHPRNU-MBNYWOFBSA-N 0 1 277.412 3.957 20 0 CHADMN Cc1cn[nH]c1CN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000356121815 533991417 /nfs/dbraw/zinc/99/14/17/533991417.db2.gz KOXFEXJGWNZTER-MRXNPFEDSA-N 0 1 291.345 3.724 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC(c2c[nH]cn2)CC1 ZINC000334903744 534040986 /nfs/dbraw/zinc/04/09/86/534040986.db2.gz GJFVVHONBAUJHQ-NSHDSACASA-N 0 1 291.345 3.629 20 0 CHADMN C[C@H](O)CCCN(C)Cc1cccc(Cl)c1Cl ZINC000354830661 534052647 /nfs/dbraw/zinc/05/26/47/534052647.db2.gz FUCICQDTILPPPN-JTQLQIEISA-N 0 1 276.207 3.586 20 0 CHADMN Cc1ccc(CN[C@@H]2COCc3ccccc32)cc1C ZINC000418105671 534083341 /nfs/dbraw/zinc/08/33/41/534083341.db2.gz ZZTLPAFPCRCHHJ-GOSISDBHSA-N 0 1 267.372 3.665 20 0 CHADMN C[C@@H]1N(Cc2cccc(-c3ccccn3)c2)CCOC1(C)C ZINC000353889471 534092565 /nfs/dbraw/zinc/09/25/65/534092565.db2.gz XTXXVQRDAWYWEN-HNNXBMFYSA-N 0 1 296.414 3.748 20 0 CHADMN C[C@]1(CNCc2ccc(Cl)o2)OCCc2sccc21 ZINC000353196024 534176932 /nfs/dbraw/zinc/17/69/32/534176932.db2.gz SUZFVSMISRFMRL-CQSZACIVSA-N 0 1 297.807 3.572 20 0 CHADMN CSc1ccc(C)c(C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000352628872 534191716 /nfs/dbraw/zinc/19/17/16/534191716.db2.gz CUUVVUWHYRZAOW-UHFFFAOYSA-N 0 1 297.383 3.846 20 0 CHADMN C[C@@H](F)CCN1CC=C(c2c(F)cccc2F)CC1 ZINC000351997045 534276665 /nfs/dbraw/zinc/27/66/65/534276665.db2.gz WMOFZBISUCBNCR-LLVKDONJSA-N 0 1 269.310 3.802 20 0 CHADMN COC(=O)c1csc([C@@H](C)NCc2ccc(F)cc2)c1 ZINC000353450553 534337019 /nfs/dbraw/zinc/33/70/19/534337019.db2.gz UFZFQQILXQEYKI-SNVBAGLBSA-N 0 1 293.363 3.525 20 0 CHADMN COC(=O)c1csc([C@H](C)NCc2cscc2C)c1 ZINC000353610541 534337995 /nfs/dbraw/zinc/33/79/95/534337995.db2.gz WPQXYXYSOJVKPT-JTQLQIEISA-N 0 1 295.429 3.755 20 0 CHADMN C/C(=C/c1nc([C@@H](N)CC(C)C)no1)c1cccc(F)c1 ZINC000339392300 518416945 /nfs/dbraw/zinc/41/69/45/518416945.db2.gz NDIQQBPHKMNQAW-MSKHEQNASA-N 0 1 289.354 3.815 20 0 CHADMN C/C(=C\c1nc([C@H](N)CC(C)C)no1)c1cccc(F)c1 ZINC000339392298 518449284 /nfs/dbraw/zinc/44/92/84/518449284.db2.gz NDIQQBPHKMNQAW-BMGYJQCNSA-N 0 1 289.354 3.815 20 0 CHADMN C/C(=C\c1nc([C@H](N)CC(C)C)no1)C(C)(C)C ZINC000339394661 518449373 /nfs/dbraw/zinc/44/93/73/518449373.db2.gz JGSTZMHRWSMEMH-RJCSOLBVSA-N 0 1 251.374 3.565 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000280235147 518974145 /nfs/dbraw/zinc/97/41/45/518974145.db2.gz APKMEOIEXABLAC-LBPRGKRZSA-N 0 1 289.379 3.588 20 0 CHADMN CC(C)(C)c1nc(CNCCc2ccsc2)cs1 ZINC000077169762 519099725 /nfs/dbraw/zinc/09/97/25/519099725.db2.gz CSMNAFVCQFYDRE-UHFFFAOYSA-N 0 1 280.462 3.834 20 0 CHADMN CC(C)(C)c1ncc(CNCc2ccccc2)s1 ZINC000059180765 519113091 /nfs/dbraw/zinc/11/30/91/519113091.db2.gz NLQRFWYRNQNGJO-UHFFFAOYSA-N 0 1 260.406 3.730 20 0 CHADMN CC(C)(C)c1noc(CN[C@H]2CCC[C@H]2c2ccccc2)n1 ZINC000131048311 519133930 /nfs/dbraw/zinc/13/39/30/519133930.db2.gz CQONSDLPPOGDOT-GJZGRUSLSA-N 0 1 299.418 3.793 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H](C)c2ccc(Cl)s2)n1 ZINC000339393250 519237001 /nfs/dbraw/zinc/23/70/01/519237001.db2.gz LWPKDXDWRHNSNS-RKDXNWHRSA-N 0 1 299.827 3.982 20 0 CHADMN Cc1ccncc1CN[C@H]1CSCCc2ccccc21 ZINC000334679721 534420887 /nfs/dbraw/zinc/42/08/87/534420887.db2.gz YWCSDFYTASLWIY-KRWDZBQOSA-N 0 1 284.428 3.510 20 0 CHADMN CC(C)C[C@H](N)c1noc(/C=C\c2ccccc2Cl)n1 ZINC000339394954 519373815 /nfs/dbraw/zinc/37/38/15/519373815.db2.gz RLMWEYVFTYDMDD-WSROAFLRSA-N 0 1 291.782 3.939 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263579688 519406993 /nfs/dbraw/zinc/40/69/93/519406993.db2.gz VCCQILLCRXFQBF-MRXNPFEDSA-N 0 1 275.392 3.785 20 0 CHADMN CC(C)C[C@H]1CCCCN1Cc1ncnn1-c1ccccc1 ZINC000337197680 519407519 /nfs/dbraw/zinc/40/75/19/519407519.db2.gz YUSSASTZGWNTDK-QGZVFWFLSA-N 0 1 298.434 3.668 20 0 CHADMN CC(C)N(C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000070944223 519614052 /nfs/dbraw/zinc/61/40/52/519614052.db2.gz JFGFADKUZSENKH-UHFFFAOYSA-N 0 1 282.387 3.632 20 0 CHADMN CC(C)N(Cc1cccc(F)c1)Cc1cncc(F)c1 ZINC000275112488 519656319 /nfs/dbraw/zinc/65/63/19/519656319.db2.gz GSRFDNFGWXGJQM-UHFFFAOYSA-N 0 1 276.330 3.770 20 0 CHADMN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000057566974 519664580 /nfs/dbraw/zinc/66/45/80/519664580.db2.gz BPVAXAGUZDJSLJ-UHFFFAOYSA-N 0 1 291.782 3.763 20 0 CHADMN CC(=O)Nc1ccc(CNC2(c3ccccc3F)CC2)cc1 ZINC000130527560 519717591 /nfs/dbraw/zinc/71/75/91/519717591.db2.gz LSEALEVUASVITQ-UHFFFAOYSA-N 0 1 298.361 3.563 20 0 CHADMN CC(C)Oc1ccc([C@@H](C)NCc2ccoc2)cc1 ZINC000062103664 519781445 /nfs/dbraw/zinc/78/14/45/519781445.db2.gz GRMAXFFZJHQOQS-CYBMUJFWSA-N 0 1 259.349 3.918 20 0 CHADMN CC(C)Oc1ccc([C@H](C)NCc2ccccn2)cc1 ZINC000019957745 519781849 /nfs/dbraw/zinc/78/18/49/519781849.db2.gz AUCLEBNYMVSKHF-AWEZNQCLSA-N 0 1 270.376 3.720 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)NCc2ccco2)c1 ZINC000036997340 519783378 /nfs/dbraw/zinc/78/33/78/519783378.db2.gz NFJWDHBTKKECOJ-CYBMUJFWSA-N 0 1 259.349 3.918 20 0 CHADMN CC(C)[C@@H](CC1CCCC1)c1nc(C2(N)CCC2)no1 ZINC000339393333 519792749 /nfs/dbraw/zinc/79/27/49/519792749.db2.gz OHZCQLHVKDFRCE-CYBMUJFWSA-N 0 1 277.412 3.727 20 0 CHADMN CC(C)c1nc(CN([C@H](C)c2ccccc2)C2CC2)n[nH]1 ZINC000292542801 519861996 /nfs/dbraw/zinc/86/19/96/519861996.db2.gz QBTJJLLRKVUZDQ-CYBMUJFWSA-N 0 1 284.407 3.654 20 0 CHADMN CC(C)c1nc([C@H](C)Nc2ccc(C(F)(F)F)cn2)n[nH]1 ZINC000276544915 519867726 /nfs/dbraw/zinc/86/77/26/519867726.db2.gz DPNDYHDDGZUCOB-QMMMGPOBSA-N 0 1 299.300 3.515 20 0 CHADMN CCCC1(CNC(=O)c2cccc3nc(C)[nH]c32)CCC1 ZINC000338571834 519892385 /nfs/dbraw/zinc/89/23/85/519892385.db2.gz IHFXZTUITGILMM-UHFFFAOYSA-N 0 1 285.391 3.572 20 0 CHADMN CCCC1(CNCc2ncc(C(F)(F)F)s2)CC1 ZINC000278713143 519892932 /nfs/dbraw/zinc/89/29/32/519892932.db2.gz RXTGUPWUQFBLGB-UHFFFAOYSA-N 0 1 278.343 3.832 20 0 CHADMN CC(C)c1noc(CN[C@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000275557224 519904656 /nfs/dbraw/zinc/90/46/56/519904656.db2.gz DCKAWEPLGAJSDY-CABCVRRESA-N 0 1 285.391 3.619 20 0 CHADMN CC(C)n1cc(CN[C@@H]2c3ccccc3CCC[C@@H]2C)nn1 ZINC000290201911 519958260 /nfs/dbraw/zinc/95/82/60/519958260.db2.gz UVGVRHRRMBZSOO-KSSFIOAISA-N 0 1 298.434 3.662 20 0 CHADMN CCCCCN(C(=O)c1cccc2[nH]c(C)nc21)C(C)C ZINC000338582896 520146352 /nfs/dbraw/zinc/14/63/52/520146352.db2.gz UNWUSAIIANUNCG-UHFFFAOYSA-N 0 1 287.407 3.912 20 0 CHADMN CC(F)(F)c1ccc(CNCc2cncs2)cc1 ZINC000292888166 520168498 /nfs/dbraw/zinc/16/84/98/520168498.db2.gz FNDOBTBHNBMSMF-UHFFFAOYSA-N 0 1 268.332 3.545 20 0 CHADMN CCOC[C@H]1CCN(c2cc(C)nc3ccc(F)cc32)C1 ZINC000128502663 520182763 /nfs/dbraw/zinc/18/27/63/520182763.db2.gz TZBRUMNJKIDUQC-ZDUSSCGKSA-N 0 1 288.366 3.545 20 0 CHADMN Fc1ccc(Cl)cc1CN1CCC2(CCC2)C1 ZINC000353666938 534476029 /nfs/dbraw/zinc/47/60/29/534476029.db2.gz ARMQEJAOKPVNQB-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN CC1(C)CCCC[C@@H]1c1nc(C2(N)CCCCC2)no1 ZINC000226694027 520314930 /nfs/dbraw/zinc/31/49/30/520314930.db2.gz KFIFPASDLSMCNK-GFCCVEGCSA-N 0 1 277.412 3.872 20 0 CHADMN CCCOc1ccc(CN[C@H](C)c2ccco2)cc1OC ZINC000236843083 520374022 /nfs/dbraw/zinc/37/40/22/520374022.db2.gz IKRDHXFMDRDDNO-CYBMUJFWSA-N 0 1 289.375 3.928 20 0 CHADMN CC1(C)SC[C@H]1NCc1ncc(-c2ccccc2)s1 ZINC000338474802 520626985 /nfs/dbraw/zinc/62/69/85/520626985.db2.gz LAUGNKAVQODLMS-CYBMUJFWSA-N 0 1 290.457 3.794 20 0 CHADMN CCOc1cc(CN(C)[C@H](C)c2ccco2)ccc1OC ZINC000131075847 520697641 /nfs/dbraw/zinc/69/76/41/520697641.db2.gz PXCAXOKNPLLKLJ-CYBMUJFWSA-N 0 1 289.375 3.880 20 0 CHADMN CCC[C@@H](NC(=O)c1ccc2cncn2c1)c1ccccc1 ZINC000339885076 520755154 /nfs/dbraw/zinc/75/51/54/520755154.db2.gz KRLTXVSEZCLCKE-QGZVFWFLSA-N 0 1 293.370 3.606 20 0 CHADMN CCCCSCCC(=O)Nc1cc2cn[nH]c2cc1C ZINC000276844112 520953228 /nfs/dbraw/zinc/95/32/28/520953228.db2.gz XTLGLSNMEHEORJ-UHFFFAOYSA-N 0 1 291.420 3.733 20 0 CHADMN CCOc1ccc(CN(C)[C@@H](C)c2ccccn2)cc1F ZINC000278787880 520965272 /nfs/dbraw/zinc/96/52/72/520965272.db2.gz VODMQDFNRTZNBD-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN CCCCS[C@H](C)c1nc([C@H](N)CC(C)C)no1 ZINC000339393815 520976291 /nfs/dbraw/zinc/97/62/91/520976291.db2.gz HOMCXONMENAOGP-GHMZBOCLSA-N 0 1 271.430 3.710 20 0 CHADMN CCOc1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1F ZINC000292865609 520980477 /nfs/dbraw/zinc/98/04/77/520980477.db2.gz VVFMGFWTGJJLAN-CABCVRRESA-N 0 1 299.336 3.702 20 0 CHADMN CCCC[C@@H](CC)C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000279755532 521022037 /nfs/dbraw/zinc/02/20/37/521022037.db2.gz LNDIHYSTICYHHF-GFCCVEGCSA-N 0 1 286.379 3.627 20 0 CHADMN CCCC[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000296306679 521100396 /nfs/dbraw/zinc/10/03/96/521100396.db2.gz GCGJIECMAZNFER-OAHLLOKOSA-N 0 1 284.407 3.703 20 0 CHADMN Cc1cnc(CN2CC[C@@H](C(C)(C)C)C[C@H]2C)o1 ZINC000347581756 534551652 /nfs/dbraw/zinc/55/16/52/534551652.db2.gz OKLPHGWIJOWYDQ-DGCLKSJQSA-N 0 1 250.386 3.630 20 0 CHADMN CCC[C@](C)(N)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000036865004 521278015 /nfs/dbraw/zinc/27/80/15/521278015.db2.gz KHGIAZHIIBRFSO-ZDUSSCGKSA-N 0 1 299.296 3.729 20 0 CHADMN CCN(Cc1c[nH]c2ccccc12)Cc1ccnn1C(C)C ZINC000337205904 521280699 /nfs/dbraw/zinc/28/06/99/521280699.db2.gz LMEBYIIRUDRBGX-UHFFFAOYSA-N 0 1 296.418 3.967 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1ccc(F)nc1C ZINC000278510797 521327582 /nfs/dbraw/zinc/32/75/82/521327582.db2.gz WSDPNKLXXNMZNF-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN CCN(Cc1cccc(Cl)c1)Cc1ccnc(OC)c1 ZINC000339869354 521344956 /nfs/dbraw/zinc/34/49/56/521344956.db2.gz PRVFQVAVIWYCBV-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN CCN(Cc1cnn(C)c1)[C@H](C)c1ccc(Cl)cc1 ZINC000299609043 521440662 /nfs/dbraw/zinc/44/06/62/521440662.db2.gz UOOBDTCUQGZRRE-GFCCVEGCSA-N 0 1 277.799 3.657 20 0 CHADMN CCCN(C(=O)c1cnc(C)[nH]1)[C@H](CC)c1ccccc1 ZINC000339223106 521448740 /nfs/dbraw/zinc/44/87/40/521448740.db2.gz MIOOIJMLTZUEDH-MRXNPFEDSA-N 0 1 285.391 3.722 20 0 CHADMN CCOC1CC2(C1)CCN(Cc1cccc(F)c1Cl)C2 ZINC000339193350 521654255 /nfs/dbraw/zinc/65/42/55/521654255.db2.gz CPNJKWZCXBBZIA-UHFFFAOYSA-N 0 1 297.801 3.870 20 0 CHADMN CCCN(Cc1nccn1C)[C@H](CC)c1ccccc1 ZINC000263797183 521695299 /nfs/dbraw/zinc/69/52/99/521695299.db2.gz NILUSLCQZIERBS-MRXNPFEDSA-N 0 1 271.408 3.783 20 0 CHADMN CC[C@H](C)Oc1cccc(NCc2cn[nH]c2C)c1 ZINC000049593041 521779369 /nfs/dbraw/zinc/77/93/69/521779369.db2.gz CQCWFEZDUMYQJL-NSHDSACASA-N 0 1 259.353 3.508 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1ncc(C2CC2)o1)C1CC1 ZINC000340855105 521805340 /nfs/dbraw/zinc/80/53/40/521805340.db2.gz ZEZCUNBNYPSKFI-NWDGAFQWSA-N 0 1 262.397 3.951 20 0 CHADMN CC[C@H](C)[C@H](C)N(C(=O)c1cc(C(C)C)[nH]n1)C1CC1 ZINC000264100583 521921076 /nfs/dbraw/zinc/92/10/76/521921076.db2.gz AQVBLBGCXWYMNF-RYUDHWBXSA-N 0 1 277.412 3.572 20 0 CHADMN COCC[C@H](NCc1cc(Cl)cs1)c1ccco1 ZINC000278655403 521975297 /nfs/dbraw/zinc/97/52/97/521975297.db2.gz GEHGBYPTJQYAKP-LBPRGKRZSA-N 0 1 285.796 3.862 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@H]2CCc3ccc(C)cc32)n[nH]1 ZINC000277213059 522056918 /nfs/dbraw/zinc/05/69/18/522056918.db2.gz KLOKNXGDSIJLAI-XEZPLFJOSA-N 0 1 298.434 3.965 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2ccccc2)n[nH]1 ZINC000277371969 522057313 /nfs/dbraw/zinc/05/73/13/522057313.db2.gz WZEVKSXMGCPJFB-XQQFMLRXSA-N 0 1 272.396 3.730 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@H](C)c1cncs1 ZINC000359340590 522090615 /nfs/dbraw/zinc/09/06/15/522090615.db2.gz LEIXBPIHRYFHTL-WDEREUQCSA-N 0 1 261.394 3.512 20 0 CHADMN CCc1nc(C)c(CN[C@H](CC)c2cccc(F)c2)o1 ZINC000291959445 522211800 /nfs/dbraw/zinc/21/18/00/522211800.db2.gz RRFXDFFQLZGHNV-CQSZACIVSA-N 0 1 276.355 3.925 20 0 CHADMN CC[C@H](CSC)NCc1csc(C(C)(C)C)n1 ZINC000163872797 522287054 /nfs/dbraw/zinc/28/70/54/522287054.db2.gz LGNAVCVBYBQYTL-SNVBAGLBSA-N 0 1 272.483 3.672 20 0 CHADMN COc1cc(CN(Cc2cccnc2)C2CC2)ccc1C ZINC000290436497 522362619 /nfs/dbraw/zinc/36/26/19/522362619.db2.gz LPLWIRUSIKHLDQ-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2cccc(C)c2C)n[nH]1 ZINC000277547491 522440970 /nfs/dbraw/zinc/44/09/70/522440970.db2.gz ZSPYDRVNNCXWIR-RISCZKNCSA-N 0 1 286.423 3.786 20 0 CHADMN COc1cc(F)cc(CN[C@@H]2CCc3ccc(F)cc32)c1 ZINC000093899255 522594453 /nfs/dbraw/zinc/59/44/53/522594453.db2.gz ZWYRVLHFQNLKAJ-QGZVFWFLSA-N 0 1 289.325 3.751 20 0 CHADMN COC1CCC(C)(C[NH2+]Cc2cccc([O-])c2Cl)CC1 ZINC000339376356 522669345 /nfs/dbraw/zinc/66/93/45/522669345.db2.gz FCCSVHNCMVLKPP-UHFFFAOYSA-N 0 1 297.826 3.731 20 0 CHADMN CC[C@H](NCc1nc(C)cs1)c1ccc2c(c1)CCO2 ZINC000038091119 522670078 /nfs/dbraw/zinc/67/00/78/522670078.db2.gz UTMYVFQLLMECPD-AWEZNQCLSA-N 0 1 288.416 3.627 20 0 CHADMN COC1CCN(CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000278081811 522703427 /nfs/dbraw/zinc/70/34/27/522703427.db2.gz NLYPFMAXUHFNDQ-UHFFFAOYSA-N 0 1 288.218 3.647 20 0 CHADMN C[N@@H+](CCC1CCCCC1)Cc1ccc(C(=O)[O-])cc1 ZINC000127453322 522710313 /nfs/dbraw/zinc/71/03/13/522710313.db2.gz IOINVFRRPUBCCB-UHFFFAOYSA-N 0 1 275.392 3.787 20 0 CHADMN COC[C@H](NCCSC1CCCCC1)c1ccco1 ZINC000283446977 522739986 /nfs/dbraw/zinc/73/99/86/522739986.db2.gz XXAWXQYEZCNMAM-AWEZNQCLSA-N 0 1 283.437 3.623 20 0 CHADMN COC[C@H](N[C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000291133361 522763522 /nfs/dbraw/zinc/76/35/22/522763522.db2.gz GZEBWNUGBBLQDV-MOPGFXCFSA-N 0 1 297.398 3.747 20 0 CHADMN COCC(C)(C)N(C)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000292141392 522812480 /nfs/dbraw/zinc/81/24/80/522812480.db2.gz JIODACMWPHLDKA-UHFFFAOYSA-N 0 1 288.391 3.507 20 0 CHADMN COCC(C)(C)N(C)Cc1nc(-c2cccs2)oc1C ZINC000292274524 522814205 /nfs/dbraw/zinc/81/42/05/522814205.db2.gz ZYAYXESTHAJFAB-UHFFFAOYSA-N 0 1 294.420 3.568 20 0 CHADMN CC[C@@H](NCc1nc(C)cs1)c1ccc2c(c1)CCO2 ZINC000038091120 522893119 /nfs/dbraw/zinc/89/31/19/522893119.db2.gz UTMYVFQLLMECPD-CQSZACIVSA-N 0 1 288.416 3.627 20 0 CHADMN CC[C@@H](NCc1ncccc1C)c1ccc(OC)cc1 ZINC000071339320 522894546 /nfs/dbraw/zinc/89/45/46/522894546.db2.gz FGEXYLRXGSBAEX-MRXNPFEDSA-N 0 1 270.376 3.640 20 0 CHADMN CN(CCOc1ccc(F)cc1Cl)Cc1ccco1 ZINC000354542210 522909465 /nfs/dbraw/zinc/90/94/65/522909465.db2.gz PKVUUXKAWJYHLU-UHFFFAOYSA-N 0 1 283.730 3.583 20 0 CHADMN CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226455299 522932333 /nfs/dbraw/zinc/93/23/33/522932333.db2.gz QIPHBTLDERFNEZ-XJKSGUPXSA-N 0 1 293.382 3.854 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1ccccc1OC ZINC000290525420 522967108 /nfs/dbraw/zinc/96/71/08/522967108.db2.gz QGVHWYAAWFVFAI-MRXNPFEDSA-N 0 1 270.376 3.673 20 0 CHADMN COCc1ccc(CN[C@@H]2CCc3cc(Cl)ccc32)o1 ZINC000126238585 522995298 /nfs/dbraw/zinc/99/52/98/522995298.db2.gz ZQIGFBZPWYGKGT-MRXNPFEDSA-N 0 1 291.778 3.857 20 0 CHADMN CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc2nc(C)[nH]c21 ZINC000338442153 523042014 /nfs/dbraw/zinc/04/20/14/523042014.db2.gz WVJFQZYHSMDPFE-JSGCOSHPSA-N 0 1 285.391 3.570 20 0 CHADMN CC[C@H]1CCC[C@H](CNCc2nccc(C(F)F)n2)C1 ZINC000288475008 523135174 /nfs/dbraw/zinc/13/51/74/523135174.db2.gz PHHIAELFIIZSEE-RYUDHWBXSA-N 0 1 283.366 3.720 20 0 CHADMN CN(Cc1cc(Cl)cs1)[C@@H](CO)c1ccccc1 ZINC000295120305 523177780 /nfs/dbraw/zinc/17/77/80/523177780.db2.gz WKGOTOOQMORPGC-AWEZNQCLSA-N 0 1 281.808 3.567 20 0 CHADMN CC[C@H]1CC[C@H](C(=O)Nc2c(C)n[nH]c2C(F)F)CC1 ZINC000276150231 523195366 /nfs/dbraw/zinc/19/53/66/523195366.db2.gz QBKBTTSZFVZFNT-MGCOHNPYSA-N 0 1 285.338 3.811 20 0 CHADMN CC[C@@H]1CCCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000117343433 523249118 /nfs/dbraw/zinc/24/91/18/523249118.db2.gz AIDBFEYGXVSEBZ-MRXNPFEDSA-N 0 1 288.435 3.754 20 0 CHADMN CN(Cc1ccc(OC(F)(F)F)cc1)Cc1ccccn1 ZINC000248004176 523270486 /nfs/dbraw/zinc/27/04/86/523270486.db2.gz AAXANYVIMXVRMH-UHFFFAOYSA-N 0 1 296.292 3.612 20 0 CHADMN CC[C@H]1C[N@@H+](CCCCC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000248373203 523274664 /nfs/dbraw/zinc/27/46/64/523274664.db2.gz HEQXZYHESULCBG-DOTOQJQBSA-N 0 1 289.419 3.757 20 0 CHADMN Cc1cccc(CN(C)[C@H](C)c2cccc(F)c2)n1 ZINC000347358514 534703503 /nfs/dbraw/zinc/70/35/03/534703503.db2.gz HAPQRKAZEGMCRX-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN CN(Cc1ccccn1)[C@@H]1CCCc2ccc(F)cc21 ZINC000275770460 523397470 /nfs/dbraw/zinc/39/74/70/523397470.db2.gz YUHUZPOOTXETNE-QGZVFWFLSA-N 0 1 270.351 3.730 20 0 CHADMN CN(Cc1ccco1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291343395 523435252 /nfs/dbraw/zinc/43/52/52/523435252.db2.gz WEPVDORGRHOPGI-NEPJUHHUSA-N 0 1 261.287 3.833 20 0 CHADMN CCn1cc([C@@H](C)NCc2cccc(C(F)F)c2)cn1 ZINC000275676047 523458682 /nfs/dbraw/zinc/45/86/82/523458682.db2.gz HOIJHLGLNVVNBI-LLVKDONJSA-N 0 1 279.334 3.691 20 0 CHADMN CO[C@@H](CN(C)Cc1ccccc1F)c1ccccc1 ZINC000338545342 523499324 /nfs/dbraw/zinc/49/93/24/523499324.db2.gz APCGOVYKPSLHTP-KRWDZBQOSA-N 0 1 273.351 3.645 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1ccc(C)nc1 ZINC000062051065 523852820 /nfs/dbraw/zinc/85/28/20/523852820.db2.gz CENQVCXVAWIADG-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN CCc1ccc(CN[C@H](C)c2cccc(OC)c2)o1 ZINC000051724336 523946143 /nfs/dbraw/zinc/94/61/43/523946143.db2.gz PMKULQOWZOESGD-GFCCVEGCSA-N 0 1 259.349 3.701 20 0 CHADMN Cc1coc(C)c1C(=O)Nc1cccc(Cl)c1O ZINC000336376718 534749307 /nfs/dbraw/zinc/74/93/07/534749307.db2.gz VHKDDCMXWOJJIP-UHFFFAOYSA-N 0 1 265.696 3.508 20 0 CHADMN COc1ccc(CN(Cc2cncs2)C(C)(C)C)cc1 ZINC000290218143 524015509 /nfs/dbraw/zinc/01/55/09/524015509.db2.gz RIGXILIBILNIFQ-UHFFFAOYSA-N 0 1 290.432 3.952 20 0 CHADMN CCc1ccc([C@@H]2CCCCN2Cc2ccnc(N)c2)o1 ZINC000299198352 524036171 /nfs/dbraw/zinc/03/61/71/524036171.db2.gz FQKHUQJXCKLHME-HNNXBMFYSA-N 0 1 285.391 3.546 20 0 CHADMN CCc1ccc([C@H](C)NCc2cccc3c2OCCO3)cc1 ZINC000121573800 524046534 /nfs/dbraw/zinc/04/65/34/524046534.db2.gz AKRPFZNOJFTVLS-AWEZNQCLSA-N 0 1 297.398 3.871 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CCC(C)(C)CC1 ZINC000339259542 524062990 /nfs/dbraw/zinc/06/29/90/524062990.db2.gz XSZDFUIVMHGJMZ-UHFFFAOYSA-N 0 1 288.435 3.618 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc(C)oc2C)cc1OC ZINC000020438667 524074268 /nfs/dbraw/zinc/07/42/68/524074268.db2.gz OZSLVJDVCWBWGR-LBPRGKRZSA-N 0 1 289.375 3.764 20 0 CHADMN Cc1csc(-c2nc(=O)c3c4ccccc4sc3[nH]2)n1 ZINC000352302558 534765949 /nfs/dbraw/zinc/76/59/49/534765949.db2.gz BPFKZTNJQDQTLF-UHFFFAOYSA-N 0 1 299.380 3.982 20 0 CHADMN COc1ccc(Cl)cc1[C@H](C)NC1CC(F)(F)C1 ZINC000277147480 524254359 /nfs/dbraw/zinc/25/43/59/524254359.db2.gz PVQPNZXTPXMNCK-QMMMGPOBSA-N 0 1 275.726 3.797 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN(C)CCCC(C)C ZINC000275135588 524273140 /nfs/dbraw/zinc/27/31/40/524273140.db2.gz LRCHFFALUUNBJY-UHFFFAOYSA-N 0 1 276.424 3.610 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2CCC(C)(C)CC2)c(C)c1 ZINC000339255023 524284386 /nfs/dbraw/zinc/28/43/86/524284386.db2.gz OVARFYBGYBLHPO-UHFFFAOYSA-N 0 1 288.435 3.672 20 0 CHADMN C[C@H]1CCN(CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000299588255 524286583 /nfs/dbraw/zinc/28/65/83/524286583.db2.gz DNFCWYIGLZBSED-HNNXBMFYSA-N 0 1 294.398 3.634 20 0 CHADMN C[C@H](CN(C)Cc1nccs1)c1ccc(F)cc1 ZINC000275658759 524300943 /nfs/dbraw/zinc/30/09/43/524300943.db2.gz DGHYFYNNIRHCLB-LLVKDONJSA-N 0 1 264.369 3.518 20 0 CHADMN COc1ccccc1/C=C/CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000292808537 524318986 /nfs/dbraw/zinc/31/89/86/524318986.db2.gz OKRYULJHBKSNFY-HRNFOAQLSA-N 0 1 293.357 3.686 20 0 CHADMN Cc1ccc(CN(C)C(=O)c2cccc3[nH]c(C)nc32)s1 ZINC000338534423 524382577 /nfs/dbraw/zinc/38/25/77/524382577.db2.gz DYNIGGXZFRYAKX-UHFFFAOYSA-N 0 1 299.399 3.513 20 0 CHADMN Cc1ccc(CN(Cc2cccnc2)C2CC2)c(C)c1 ZINC000339291034 524420230 /nfs/dbraw/zinc/42/02/30/524420230.db2.gz PYDOZQOJZDGVHX-UHFFFAOYSA-N 0 1 266.388 3.863 20 0 CHADMN C[C@H]1CC[C@H](N[C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000127882102 524424511 /nfs/dbraw/zinc/42/45/11/524424511.db2.gz XWNJMZGDAWUVSW-VNQPRFMTSA-N 0 1 269.392 3.667 20 0 CHADMN Cc1cccc(CNCc2csc3ccccc23)n1 ZINC000048329853 524434349 /nfs/dbraw/zinc/43/43/49/524434349.db2.gz GWMPBKGTFLJMIY-UHFFFAOYSA-N 0 1 268.385 3.895 20 0 CHADMN C[C@@H](CCN1CCOC[C@H]1CC(F)F)c1ccccc1 ZINC000289963227 524487844 /nfs/dbraw/zinc/48/78/44/524487844.db2.gz ZDWQPNPLZOPQRA-DZGCQCFKSA-N 0 1 283.362 3.536 20 0 CHADMN Cc1ccc(CNCc2cc[nH]c2)c(OC(C)(C)C)c1 ZINC000086256838 524583780 /nfs/dbraw/zinc/58/37/80/524583780.db2.gz KURHEBGAYRISFZ-UHFFFAOYSA-N 0 1 272.392 3.790 20 0 CHADMN Cc1ccc(CNCc2ccc3c(n2)CCCC3)cc1 ZINC000277645092 524585013 /nfs/dbraw/zinc/58/50/13/524585013.db2.gz DWQYXWDYILBFNK-UHFFFAOYSA-N 0 1 266.388 3.559 20 0 CHADMN Cc1ccc(CN[C@H](C)c2n[nH]c(C(C)C)n2)cc1Cl ZINC000277631183 524604547 /nfs/dbraw/zinc/60/45/47/524604547.db2.gz CGVIJULPHOHCQW-LLVKDONJSA-N 0 1 292.814 3.741 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cnc3ccsc3c2)cn1 ZINC000068692002 524605389 /nfs/dbraw/zinc/60/53/89/524605389.db2.gz VSWMQLBKOHJCIQ-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN C[C@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H](C2CC2)O1 ZINC000279346473 524616645 /nfs/dbraw/zinc/61/66/45/524616645.db2.gz QCXXBRRTWVTAKQ-XHDPSFHLSA-N 0 1 281.346 3.624 20 0 CHADMN Cc1cc(CN(C)Cc2ccc[nH]2)ccc1Br ZINC000337242971 524661381 /nfs/dbraw/zinc/66/13/81/524661381.db2.gz HCHFPWSCFKEZPY-UHFFFAOYSA-N 0 1 293.208 3.718 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)Cc2ccc(Cl)cc2)no1 ZINC000076732582 524665721 /nfs/dbraw/zinc/66/57/21/524665721.db2.gz RBBVSOOVFKKEOA-NSHDSACASA-N 0 1 278.783 3.699 20 0 CHADMN Cc1cccc(NCCc2nc(C(C)(C)C)cs2)n1 ZINC000157415898 524677475 /nfs/dbraw/zinc/67/74/75/524677475.db2.gz KVGIBTBURJUPCP-UHFFFAOYSA-N 0 1 275.421 3.799 20 0 CHADMN Cc1cccc(NC[C@@H](c2cccnc2)C(C)C)n1 ZINC000157913172 524678809 /nfs/dbraw/zinc/67/88/09/524678809.db2.gz ROZFSTOMNFYPIS-OAHLLOKOSA-N 0 1 255.365 3.637 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@@H]2c2cccc(F)c2)ncn1 ZINC000292372413 524713169 /nfs/dbraw/zinc/71/31/69/524713169.db2.gz GQLCQDXUTVIAJM-SJKOYZFVSA-N 0 1 285.366 3.507 20 0 CHADMN C[C@H]1CSCCN1Cc1cccc(C(F)F)c1 ZINC000279800047 524756143 /nfs/dbraw/zinc/75/61/43/524756143.db2.gz WGZRLAIQEDPMJO-JTQLQIEISA-N 0 1 257.349 3.562 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3c4ccccc4[nH]c32)on1 ZINC000087816403 524771233 /nfs/dbraw/zinc/77/12/33/524771233.db2.gz BGBMJVQUWIDOFO-MRXNPFEDSA-N 0 1 281.359 3.632 20 0 CHADMN Cc1cc(CN[C@@H]2CCOc3ccccc32)ccc1F ZINC000050545363 524771288 /nfs/dbraw/zinc/77/12/88/524771288.db2.gz PLLXYMOTEZAPRP-MRXNPFEDSA-N 0 1 271.335 3.748 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(F)cc2)C(C)(C)C)ncn1 ZINC000292380371 524780544 /nfs/dbraw/zinc/78/05/44/524780544.db2.gz HKMBZPSIBJSMFA-MRXNPFEDSA-N 0 1 287.382 3.801 20 0 CHADMN Cc1cc(CN[C@H](CC(C)C)c2cccs2)on1 ZINC000125625374 524780876 /nfs/dbraw/zinc/78/08/76/524780876.db2.gz HNPFSFPXIFCDCO-CYBMUJFWSA-N 0 1 264.394 3.922 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H]1CCc2c1cccc2O ZINC000036852230 524782253 /nfs/dbraw/zinc/78/22/53/524782253.db2.gz PCWVXMHOAZMQAA-BLLLJJGKSA-N 0 1 283.371 3.739 20 0 CHADMN C[C@H](N(C)C(=O)c1ccc(O)c(Cl)c1)C(C)(C)C ZINC000055391329 524813705 /nfs/dbraw/zinc/81/37/05/524813705.db2.gz ODNDHFVZXHKGSJ-VIFPVBQESA-N 0 1 269.772 3.552 20 0 CHADMN COc1ccc(OC)c(CNCc2coc3ccccc23)c1 ZINC000339406346 524837017 /nfs/dbraw/zinc/83/70/17/524837017.db2.gz GOFRXDQSHUIBEB-UHFFFAOYSA-N 0 1 297.354 3.740 20 0 CHADMN COc1ccc(OC)c(CN[C@H](C)c2cccc(F)c2)c1 ZINC000020148001 524840085 /nfs/dbraw/zinc/84/00/85/524840085.db2.gz RLZJXTQSEHKRSP-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN COc1ccncc1CN[C@H]1CCc2cc(Cl)ccc21 ZINC000292565369 524863202 /nfs/dbraw/zinc/86/32/02/524863202.db2.gz YHICYFAZZTYHPD-HNNXBMFYSA-N 0 1 288.778 3.521 20 0 CHADMN Cc1cc(Cl)cc(CN[C@@H](CO)c2ccsc2)c1 ZINC000339353523 524871097 /nfs/dbraw/zinc/87/10/97/524871097.db2.gz HZWUYJCRMNOOLQ-AWEZNQCLSA-N 0 1 281.808 3.533 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)c1ccc2cncn2c1 ZINC000339890712 524900566 /nfs/dbraw/zinc/90/05/66/524900566.db2.gz LYLBICYCUMHKGP-UHFFFAOYSA-N 0 1 285.734 3.548 20 0 CHADMN Cc1nn(C)c(C)c1CN1CC(C)(C)[C@@H]1c1cccs1 ZINC000347577214 534817676 /nfs/dbraw/zinc/81/76/76/534817676.db2.gz HAKWUXKBIXXMCO-HNNXBMFYSA-N 0 1 289.448 3.682 20 0 CHADMN COc1cncc(CN(C)[C@H](C)c2ccccc2C)c1 ZINC000290413792 524920995 /nfs/dbraw/zinc/92/09/95/524920995.db2.gz UJKLQGGHDHKSKE-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN Cc1cccc2cc(-c3nc([C@@H](N)CC(C)C)no3)oc21 ZINC000339388129 524968146 /nfs/dbraw/zinc/96/81/46/524968146.db2.gz VDLYEOXGHRFGRP-LBPRGKRZSA-N 0 1 285.347 3.837 20 0 CHADMN COc1ncc(CN([C@H](C)c2ccccc2)C2CC2)c(C)n1 ZINC000337148632 525006194 /nfs/dbraw/zinc/00/61/94/525006194.db2.gz HINVCZAMHCTMPH-CQSZACIVSA-N 0 1 297.402 3.519 20 0 CHADMN C[C@H]1c2ccsc2CC[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000042771568 525132485 /nfs/dbraw/zinc/13/24/85/525132485.db2.gz IEIGWEHYZAVSKX-NSHDSACASA-N 0 1 287.384 3.566 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccs2)c(F)c1 ZINC000037231969 525154976 /nfs/dbraw/zinc/15/49/76/525154976.db2.gz AVTBXHCZVFXWSZ-SNVBAGLBSA-N 0 1 265.353 3.747 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccccc2OC)cc1 ZINC000019903203 525155072 /nfs/dbraw/zinc/15/50/72/525155072.db2.gz VVNVREPIERKIDI-CYBMUJFWSA-N 0 1 271.360 3.555 20 0 CHADMN COc1ccc([C@@H](C)NCc2occc2C)c(C)c1OC ZINC000288521319 525158229 /nfs/dbraw/zinc/15/82/29/525158229.db2.gz UTXUORGHHAAAHQ-CYBMUJFWSA-N 0 1 289.375 3.764 20 0 CHADMN Cc1cc(N[C@H](c2cccs2)c2nnc[nH]2)ccc1F ZINC000340336274 525302829 /nfs/dbraw/zinc/30/28/29/525302829.db2.gz NDTLXKBEZJRMAN-CYBMUJFWSA-N 0 1 288.351 3.515 20 0 CHADMN Cc1cc(N[C@H]2CCOC[C@@H]2C)c2cc(F)ccc2n1 ZINC000277403536 525305337 /nfs/dbraw/zinc/30/53/37/525305337.db2.gz HGJJLTCXRCCPIN-HZMBPMFUSA-N 0 1 274.339 3.519 20 0 CHADMN Cc1ccc(N[C@H](c2nnc[nH]2)C2CCCCC2)c(F)c1 ZINC000292096787 525319223 /nfs/dbraw/zinc/31/92/23/525319223.db2.gz JGGYENRUUGCVNX-HNNXBMFYSA-N 0 1 288.370 3.986 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(OC)ccc2F)cc1 ZINC000293505543 525323834 /nfs/dbraw/zinc/32/38/34/525323834.db2.gz HQFYYYRWIQIRJL-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN COc1ccc([C@H](C)NCc2coc3ccccc23)cc1O ZINC000340424197 525326552 /nfs/dbraw/zinc/32/65/52/525326552.db2.gz GSHFXZRJWVWVFR-LBPRGKRZSA-N 0 1 297.354 3.998 20 0 CHADMN COc1ccc([C@H](C)NCc2cccs2)c(F)c1 ZINC000037231968 525326574 /nfs/dbraw/zinc/32/65/74/525326574.db2.gz AVTBXHCZVFXWSZ-JTQLQIEISA-N 0 1 265.353 3.747 20 0 CHADMN COc1ccc([C@H](C)NCc2ccccc2OC)cc1 ZINC000019903204 525327120 /nfs/dbraw/zinc/32/71/20/525327120.db2.gz VVNVREPIERKIDI-ZDUSSCGKSA-N 0 1 271.360 3.555 20 0 CHADMN CSC1(CNCc2nc(C(F)(F)F)cs2)CCC1 ZINC000290779757 525332732 /nfs/dbraw/zinc/33/27/32/525332732.db2.gz CCMZMSAWHYGQSM-UHFFFAOYSA-N 0 1 296.383 3.537 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@H](CCO)c2ccccc2)o1 ZINC000265828791 525344691 /nfs/dbraw/zinc/34/46/91/525344691.db2.gz CJTVYHRMIACHFO-XOKHGSTOSA-N 0 1 285.387 3.616 20 0 CHADMN Cc1ccc(OC2CCN(CCC(F)(F)F)CC2)cc1 ZINC000265866774 525377238 /nfs/dbraw/zinc/37/72/38/525377238.db2.gz UKOXRZYREXGRPY-UHFFFAOYSA-N 0 1 287.325 3.791 20 0 CHADMN C[C@@H](NC1CCC(C)CC1)c1nc(C(C)(C)C)no1 ZINC000236693776 525397451 /nfs/dbraw/zinc/39/74/51/525397451.db2.gz OOLWPJLYPIWSNO-MOENNCHZSA-N 0 1 265.401 3.596 20 0 CHADMN Cc1ccccc1[C@H](C)N(C)Cc1cncc(F)c1 ZINC000275167026 525406361 /nfs/dbraw/zinc/40/63/61/525406361.db2.gz VXYCDQDYSGZAPM-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN C[C@H](NCc1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000062705459 525430532 /nfs/dbraw/zinc/43/05/32/525430532.db2.gz MZTOXQMEQUYXTD-JTQLQIEISA-N 0 1 265.278 3.955 20 0 CHADMN C[C@H](NCc1cccc(N(C)C)n1)c1ccc(Cl)s1 ZINC000130484642 525456712 /nfs/dbraw/zinc/45/67/12/525456712.db2.gz IQDSOZIVAPIWEU-JTQLQIEISA-N 0 1 295.839 3.713 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccnc(N3CCCC3)c2)c(C)o1 ZINC000278356177 525467642 /nfs/dbraw/zinc/46/76/42/525467642.db2.gz ZZJUMAYJVNOYQF-CQSZACIVSA-N 0 1 299.418 3.742 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2cnc3ccccc3c2)on1 ZINC000337143646 525494616 /nfs/dbraw/zinc/49/46/16/525494616.db2.gz VTXXKLYOZJBDCW-KRWDZBQOSA-N 0 1 293.370 3.868 20 0 CHADMN Cc1c(-c2nc([C@H](N)CC(C)C)no2)cnc2ccccc12 ZINC000339365404 525512817 /nfs/dbraw/zinc/51/28/17/525512817.db2.gz VGRVBFMFGQGLRZ-CQSZACIVSA-N 0 1 296.374 3.639 20 0 CHADMN C[C@@H](NCc1ccc(F)cc1F)c1ccsc1 ZINC000051016646 525523838 /nfs/dbraw/zinc/52/38/38/525523838.db2.gz GBWLGXMDGJZNRB-SECBINFHSA-N 0 1 253.317 3.877 20 0 CHADMN C[C@H](N[C@@H](C)[C@H]1OCCc2sccc21)c1nccs1 ZINC000291966849 525527016 /nfs/dbraw/zinc/52/70/16/525527016.db2.gz SSFTXTJUWMAJGB-OUJBWJOFSA-N 0 1 294.445 3.558 20 0 CHADMN C[C@@H](NCc1cncc(F)c1)c1ccc2c(c1)CCCC2 ZINC000275232468 525551236 /nfs/dbraw/zinc/55/12/36/525551236.db2.gz VZAQSCZWGUKTFD-CYBMUJFWSA-N 0 1 284.378 3.950 20 0 CHADMN C[C@@H](NCc1cncs1)c1cccc(Cl)c1 ZINC000054770160 525554306 /nfs/dbraw/zinc/55/43/06/525554306.db2.gz PWVWEODSNYLQLX-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN C[C@H](N[C@H]1CCC[C@@H]1O)c1cc(Cl)sc1Cl ZINC000129892245 525612532 /nfs/dbraw/zinc/61/25/32/525612532.db2.gz WMTSZEIIOVGLTN-XVYDVKMFSA-N 0 1 280.220 3.619 20 0 CHADMN C[C@@H]1SCCN(Cc2ccncc2)[C@H]1c1ccccc1 ZINC000130632908 525625375 /nfs/dbraw/zinc/62/53/75/525625375.db2.gz DXROGWYIYOQUIK-WMLDXEAASA-N 0 1 284.428 3.760 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N([C@H](C)C(C)C)C2CC2)c1 ZINC000263806239 525631802 /nfs/dbraw/zinc/63/18/02/525631802.db2.gz MBUKFQIWUKSNEV-GFCCVEGCSA-N 0 1 285.391 3.520 20 0 CHADMN CSC[C@@H]1CCCN(Cc2cc(-c3ccco3)on2)C1 ZINC000292120483 525649391 /nfs/dbraw/zinc/64/93/91/525649391.db2.gz AKBRQVCAVPJVIF-GFCCVEGCSA-N 0 1 292.404 3.510 20 0 CHADMN Cc1ccc(SCCN[C@H]2C[C@H](C)n3ccnc32)cc1 ZINC000295788045 525660039 /nfs/dbraw/zinc/66/00/39/525660039.db2.gz BJSOJDNJMJYXTK-ZFWWWQNUSA-N 0 1 287.432 3.579 20 0 CHADMN C[C@@H](N[C@H]1CCCc2nn(C)cc21)c1cc2ccccc2o1 ZINC000280186674 525680590 /nfs/dbraw/zinc/68/05/90/525680590.db2.gz RXUNALUOVLEFJI-DOMZBBRYSA-N 0 1 295.386 3.895 20 0 CHADMN CSCc1cccc(CN[C@@H](C)c2ccc(F)cn2)c1 ZINC000275806688 525739724 /nfs/dbraw/zinc/73/97/24/525739724.db2.gz ZDFYYMSNVYYFMV-LBPRGKRZSA-N 0 1 290.407 3.935 20 0 CHADMN Cc1ccncc1CNCc1cccc(C(F)(F)F)c1 ZINC000135430042 525746907 /nfs/dbraw/zinc/74/69/07/525746907.db2.gz UCNUPZZTISNVDW-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H]2CCc3c2cccc3O)o1 ZINC000036960476 525749624 /nfs/dbraw/zinc/74/96/24/525749624.db2.gz UOSWTGXTZQVSDP-RISCZKNCSA-N 0 1 257.333 3.632 20 0 CHADMN Cc1ccncc1CNc1ccc(CN(C)C)c(Cl)c1 ZINC000280272249 525751331 /nfs/dbraw/zinc/75/13/31/525751331.db2.gz MQPMZWDWDZAZPB-UHFFFAOYSA-N 0 1 289.810 3.717 20 0 CHADMN CSCc1cnc(CN[C@H]2CCCC(F)(F)C2)s1 ZINC000339302310 525759785 /nfs/dbraw/zinc/75/97/85/525759785.db2.gz KXBCRSRYHKXRNI-VIFPVBQESA-N 0 1 292.420 3.674 20 0 CHADMN Cc1ccc([C@@H](N[C@H](C)c2ncc[nH]2)C2CC2)cc1 ZINC000139044950 525774373 /nfs/dbraw/zinc/77/43/73/525774373.db2.gz BGWIGFDISWPSLK-IUODEOHRSA-N 0 1 255.365 3.520 20 0 CHADMN Cc1ccc([C@@H](NC[C@H]2CCC=CO2)c2ccccn2)cc1 ZINC000279624730 525776377 /nfs/dbraw/zinc/77/63/77/525776377.db2.gz HGCXTPMWYIFAEA-IEBWSBKVSA-N 0 1 294.398 3.762 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2cc(C)ncn2)cc1 ZINC000292572729 525802828 /nfs/dbraw/zinc/80/28/28/525802828.db2.gz SSBYMJDLMSAPHX-SFHVURJKSA-N 0 1 281.403 3.821 20 0 CHADMN Cc1ccoc1CNCc1ccnc(N2CCCCCC2)c1 ZINC000266240198 525803934 /nfs/dbraw/zinc/80/39/34/525803934.db2.gz XBCJJCZXPHPXOR-UHFFFAOYSA-N 0 1 299.418 3.653 20 0 CHADMN Cc1ccoc1CN[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000266180599 525806218 /nfs/dbraw/zinc/80/62/18/525806218.db2.gz FWZVEEFPEHVVFQ-CQSZACIVSA-N 0 1 298.386 3.566 20 0 CHADMN Cc1ccoc1CN[C@H](c1ncccc1C)C(C)C ZINC000266202132 525807772 /nfs/dbraw/zinc/80/77/72/525807772.db2.gz LRMPDVOSZQWSLS-HNNXBMFYSA-N 0 1 258.365 3.778 20 0 CHADMN Cc1ccsc1[C@H](CO)NCc1sccc1Cl ZINC000338562984 525890345 /nfs/dbraw/zinc/89/03/45/525890345.db2.gz GVAMIDNPGQLAJL-JTQLQIEISA-N 0 1 287.837 3.595 20 0 CHADMN Cc1ccc([C@H](C)NCc2cc(C)nc(N3CCCC3)c2)o1 ZINC000289695968 525928095 /nfs/dbraw/zinc/92/80/95/525928095.db2.gz IJFNRKASLNDTGG-HNNXBMFYSA-N 0 1 299.418 3.742 20 0 CHADMN CSc1cc(C)ccc1CNCc1cnccc1C ZINC000280318396 525940487 /nfs/dbraw/zinc/94/04/87/525940487.db2.gz PDDJPNMJUVLACK-UHFFFAOYSA-N 0 1 272.417 3.710 20 0 CHADMN Cc1ccc(/C=C\c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000339393862 525964695 /nfs/dbraw/zinc/96/46/95/525964695.db2.gz MJMQMSDZGURDNQ-CKXPSTMWSA-N 0 1 271.364 3.594 20 0 CHADMN CSc1ccc(CN2CC[C@H](COC(F)F)C2)s1 ZINC000356325925 525993180 /nfs/dbraw/zinc/99/31/80/525993180.db2.gz WSVVJXINDNQYBM-VIFPVBQESA-N 0 1 293.404 3.531 20 0 CHADMN Cc1cn[nH]c1CN(C)[C@@H](C)c1nc2ccccc2s1 ZINC000290576301 526018962 /nfs/dbraw/zinc/01/89/62/526018962.db2.gz ZAKHGIWRFORNRH-NSHDSACASA-N 0 1 286.404 3.521 20 0 CHADMN Cc1c[nH]nc1CN(Cc1ccccc1)[C@H](C)C1CC1 ZINC000290551872 526020857 /nfs/dbraw/zinc/02/08/57/526020857.db2.gz WVODOIGEWOKTGR-CQSZACIVSA-N 0 1 269.392 3.519 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](c1cccc(C)c1)C(C)(C)C ZINC000289426916 526034555 /nfs/dbraw/zinc/03/45/55/526034555.db2.gz DFYCISHUKJELNI-INIZCTEOSA-N 0 1 271.408 3.904 20 0 CHADMN Cc1c[nH]nc1CN[C@H](c1ccccc1)C(C)(C)C ZINC000289899262 526034903 /nfs/dbraw/zinc/03/49/03/526034903.db2.gz NIPDKEQFQIIDJC-OAHLLOKOSA-N 0 1 257.381 3.595 20 0 CHADMN COc1cccc(CN[C@H](C)c2cc(C)oc2C)c1 ZINC000037680305 526037255 /nfs/dbraw/zinc/03/72/55/526037255.db2.gz CHERSOFUIDNUMM-GFCCVEGCSA-N 0 1 259.349 3.756 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccccn1 ZINC000264276145 526045560 /nfs/dbraw/zinc/04/55/60/526045560.db2.gz NJNDSKHQCTZOMZ-LBPRGKRZSA-N 0 1 260.768 3.928 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226454596 526069999 /nfs/dbraw/zinc/06/99/99/526069999.db2.gz VIUZYRBTXMIKKI-STQMWFEESA-N 0 1 295.810 3.978 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1cnn(C)c1C(F)(F)F ZINC000336837890 526092754 /nfs/dbraw/zinc/09/27/54/526092754.db2.gz OPFIDDMEAKFNAF-LLVKDONJSA-N 0 1 297.324 3.632 20 0 CHADMN C[C@H](C(=O)NO[C@@H]1CCCCO1)c1ccc2ccccc2c1 ZINC000084591069 526094600 /nfs/dbraw/zinc/09/46/00/526094600.db2.gz NABIBRVSIBDHDF-SUMWQHHRSA-N 0 1 299.370 3.518 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3Cc3nccs3)[nH]c2c1 ZINC000289399772 526104700 /nfs/dbraw/zinc/10/47/00/526104700.db2.gz RXUYZVVHWQMOGG-AWEZNQCLSA-N 0 1 298.415 3.665 20 0 CHADMN C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@H](C)C1 ZINC000253602103 526169476 /nfs/dbraw/zinc/16/94/76/526169476.db2.gz HWFMUHCTDIGDRO-QWHCGFSZSA-N 0 1 271.364 3.530 20 0 CHADMN C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC(C)(C)CC1 ZINC000339258632 526182774 /nfs/dbraw/zinc/18/27/74/526182774.db2.gz KDWJLGLBZCIOPR-ZDUSSCGKSA-N 0 1 285.391 3.920 20 0 CHADMN C[C@@H](c1nnc(-c2ccccc2)o1)N(C)CC(C)(C)C ZINC000363455965 526183606 /nfs/dbraw/zinc/18/36/06/526183606.db2.gz IUGVHAYXOZGDRK-LBPRGKRZSA-N 0 1 273.380 3.776 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1cnc2ccccn12 ZINC000337302110 526184787 /nfs/dbraw/zinc/18/47/87/526184787.db2.gz PYQQSCLHMYLJLR-CYBMUJFWSA-N 0 1 297.427 3.907 20 0 CHADMN Cc1ccc2cccc(-c3nc([C@H](N)CC(C)C)no3)c2n1 ZINC000339398073 526233410 /nfs/dbraw/zinc/23/34/10/526233410.db2.gz UXGYAKKGBFLQFU-CQSZACIVSA-N 0 1 296.374 3.639 20 0 CHADMN Cc1ccc2nc(CN[C@H](C)c3ccccc3C)cn2c1 ZINC000128900359 526249387 /nfs/dbraw/zinc/24/93/87/526249387.db2.gz QHNNRZJFSQOBGK-OAHLLOKOSA-N 0 1 279.387 3.802 20 0 CHADMN Fc1cc(C2CC2)ccc1CNCc1ccc2c[nH]nc2c1 ZINC000291674947 526295265 /nfs/dbraw/zinc/29/52/65/526295265.db2.gz HALACKXIUUAQDI-UHFFFAOYSA-N 0 1 295.361 3.869 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000275460527 526301979 /nfs/dbraw/zinc/30/19/79/526301979.db2.gz MZBLOSBCLDPVIK-LBPRGKRZSA-N 0 1 293.773 3.582 20 0 CHADMN Fc1ccc(C2=CC[C@@H](NCc3cocn3)CC2)cc1 ZINC000354020635 526326928 /nfs/dbraw/zinc/32/69/28/526326928.db2.gz SVPRUKAIPWAOKS-OAHLLOKOSA-N 0 1 272.323 3.539 20 0 CHADMN Fc1ccc(CNCc2ccc(F)c(F)c2)cc1F ZINC000049577243 526339832 /nfs/dbraw/zinc/33/98/32/526339832.db2.gz JNIYIGOXWJKPEZ-UHFFFAOYSA-N 0 1 269.241 3.533 20 0 CHADMN Cc1nnc(CN2C[C@H](c3ccc(C)cc3)C[C@@H]2C)s1 ZINC000278352856 526341464 /nfs/dbraw/zinc/34/14/64/526341464.db2.gz ACJUBNTYSFBJJU-SWLSCSKDSA-N 0 1 287.432 3.533 20 0 CHADMN Cc1csc(CN2CCC3(CCCCC3)CC2)n1 ZINC000353147513 526342187 /nfs/dbraw/zinc/34/21/87/526342187.db2.gz YBUMODXEROBWQS-UHFFFAOYSA-N 0 1 264.438 3.998 20 0 CHADMN O=C(CC1CC1)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000299651131 526346515 /nfs/dbraw/zinc/34/65/15/526346515.db2.gz ZYORZNFAYGVPLT-UHFFFAOYSA-N 0 1 269.348 3.569 20 0 CHADMN Fc1ccc(F)c(CN[C@H](c2cccnc2)C2CCC2)c1 ZINC000280178970 526349969 /nfs/dbraw/zinc/34/99/69/526349969.db2.gz ABBATDYCKYZZFW-KRWDZBQOSA-N 0 1 288.341 3.991 20 0 CHADMN Oc1ccc2c(c1)[C@@H](NCc1ccc(Cl)nc1)CCC2 ZINC000291281379 526353295 /nfs/dbraw/zinc/35/32/95/526353295.db2.gz RFXJICSYHSBAJQ-HNNXBMFYSA-N 0 1 288.778 3.608 20 0 CHADMN Cc1csc(CN[C@H](C)c2ccc(C)s2)n1 ZINC000038090595 526360171 /nfs/dbraw/zinc/36/01/71/526360171.db2.gz CNPUKGBABYSGJS-SNVBAGLBSA-N 0 1 252.408 3.672 20 0 CHADMN Cc1csc(CN[C@@H](C)c2cccc(C)c2C)n1 ZINC000117386502 526360779 /nfs/dbraw/zinc/36/07/79/526360779.db2.gz MUUFLNAXTDFSBL-ZDUSSCGKSA-N 0 1 260.406 3.919 20 0 CHADMN Oc1cccc2c1CC[C@@H]2NCc1cc(Cl)cs1 ZINC000278517487 526367034 /nfs/dbraw/zinc/36/70/34/526367034.db2.gz POOAKDDVORODTE-ZDUSSCGKSA-N 0 1 279.792 3.884 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000045083883 526388478 /nfs/dbraw/zinc/38/84/78/526388478.db2.gz GVWMIBRUDKJIBI-INIZCTEOSA-N 0 1 273.376 3.539 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@@H](c3ccc(C)cc3C)C2)o1 ZINC000280380773 526393875 /nfs/dbraw/zinc/39/38/75/526393875.db2.gz JVZJWZLIZGAKHF-UKRRQHHQSA-N 0 1 285.391 3.545 20 0 CHADMN c1c[nH]c([C@@H](NCC2CCCCC2)c2ccccc2)n1 ZINC000275564600 526406493 /nfs/dbraw/zinc/40/64/93/526406493.db2.gz ADVQRHIJXSZDRD-INIZCTEOSA-N 0 1 269.392 3.669 20 0 CHADMN c1c[nH]c([C@H](NCCC2=CCCCC2)c2ccccc2)n1 ZINC000125482366 526408622 /nfs/dbraw/zinc/40/86/22/526408622.db2.gz JLBDFLBIVASSEV-QGZVFWFLSA-N 0 1 281.403 3.979 20 0 CHADMN Cc1csc([C@@H](C)NC/C=C/c2ccccc2)n1 ZINC000069168211 526412017 /nfs/dbraw/zinc/41/20/17/526412017.db2.gz VNUUBNDSJUZXGA-YSKGHYERSA-N 0 1 258.390 3.816 20 0 CHADMN Cc1csc([C@@H](C)NCc2c(C)cccc2C)n1 ZINC000160385459 526412967 /nfs/dbraw/zinc/41/29/67/526412967.db2.gz PLQWYGKPYCBULT-CYBMUJFWSA-N 0 1 260.406 3.919 20 0 CHADMN Fc1ccccc1[C@@]1(F)CCN(CC[C@@H]2CCCCO2)C1 ZINC000338592513 526417428 /nfs/dbraw/zinc/41/74/28/526417428.db2.gz GSMYJKFLCDVJHH-WMLDXEAASA-N 0 1 295.373 3.655 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2NCc1cnn(-c2ccccc2)c1 ZINC000120769860 526444739 /nfs/dbraw/zinc/44/47/39/526444739.db2.gz OJVOTMRQVFKOPY-KRWDZBQOSA-N 0 1 293.370 3.633 20 0 CHADMN Cc1n[nH]c(C)c1CN(C)Cc1ccccc1C(F)(F)F ZINC000125454778 526493927 /nfs/dbraw/zinc/49/39/27/526493927.db2.gz DDMLRLHLCRGRBL-UHFFFAOYSA-N 0 1 297.324 3.677 20 0 CHADMN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1cccc(F)c1 ZINC000130604894 526514163 /nfs/dbraw/zinc/51/41/63/526514163.db2.gz OKXCDTYEJQZNFB-HNNXBMFYSA-N 0 1 273.355 3.503 20 0 CHADMN Cc1nc(CSCc2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000291746703 526525221 /nfs/dbraw/zinc/52/52/21/526525221.db2.gz ZJMVVVKJWJEUDY-UHFFFAOYSA-N 0 1 287.310 3.565 20 0 CHADMN Cc1nc(CSc2nc3cc(Cl)cc(C)c3o2)n[nH]1 ZINC000291688925 526525894 /nfs/dbraw/zinc/52/58/94/526525894.db2.gz NXRFIVSTFGEWNX-UHFFFAOYSA-N 0 1 294.767 3.508 20 0 CHADMN Cc1n[nH]cc1CN(C)Cc1csc2ccccc12 ZINC000128503443 526547258 /nfs/dbraw/zinc/54/72/58/526547258.db2.gz MOKRTSUGQSWWTB-UHFFFAOYSA-N 0 1 271.389 3.565 20 0 CHADMN Cc1n[nH]cc1CN[C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000265492069 526554227 /nfs/dbraw/zinc/55/42/27/526554227.db2.gz WETMWCPUUVUIAF-JTQLQIEISA-N 0 1 289.766 3.969 20 0 CHADMN Brc1cccc(CN2CCCC3(CC3)C2)c1 ZINC000351946501 526646199 /nfs/dbraw/zinc/64/61/99/526646199.db2.gz CVKPNDBAIFWVNT-UHFFFAOYSA-N 0 1 280.209 3.825 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CCCC2(CCCCC2)C1 ZINC000111161232 526787433 /nfs/dbraw/zinc/78/74/33/526787433.db2.gz KEUQDINVBXCYNP-UHFFFAOYSA-N 0 1 297.402 3.749 20 0 CHADMN Cc1nc(CN2CC[C@@](C)(c3ccccc3)C2)cs1 ZINC000340691132 526869518 /nfs/dbraw/zinc/86/95/18/526869518.db2.gz CBALXPSSYOWWIK-MRXNPFEDSA-N 0 1 272.417 3.615 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccccc3F)C2)c(C)s1 ZINC000339380434 526871383 /nfs/dbraw/zinc/87/13/83/526871383.db2.gz XIEMDSXZVUIEKF-ZDUSSCGKSA-N 0 1 290.407 3.889 20 0 CHADMN Cc1nc(CN2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)no1 ZINC000274942567 526874521 /nfs/dbraw/zinc/87/45/21/526874521.db2.gz BVPWENXBCOZQAB-BBWFWOEESA-N 0 1 297.402 3.536 20 0 CHADMN Cc1nc(CN[C@@H](C)c2ccc(C)cc2)sc1C ZINC000094965719 526892019 /nfs/dbraw/zinc/89/20/19/526892019.db2.gz KLARTLBLQCGFEC-LBPRGKRZSA-N 0 1 260.406 3.919 20 0 CHADMN Cc1sc2nc([C@@H](C)N(C)CC(C)C)nc(N)c2c1C ZINC000299359477 526895646 /nfs/dbraw/zinc/89/56/46/526895646.db2.gz UGNZJQFOLWSLTM-SNVBAGLBSA-N 0 1 292.452 3.539 20 0 CHADMN Cc1sccc1CNCc1cccc2c1OCCCO2 ZINC000293138221 526915324 /nfs/dbraw/zinc/91/53/24/526915324.db2.gz CPMPFWKRJUEJHP-UHFFFAOYSA-N 0 1 289.400 3.508 20 0 CHADMN Cc1sccc1CNCc1ccc2ccccc2n1 ZINC000339199328 526916183 /nfs/dbraw/zinc/91/61/83/526916183.db2.gz BOOTZGDCIMPWHS-UHFFFAOYSA-N 0 1 268.385 3.895 20 0 CHADMN Clc1cc(CN[C@H]2CCSC2)c(Cl)s1 ZINC000307231592 526927068 /nfs/dbraw/zinc/92/70/68/526927068.db2.gz CITCRLQHBMHZNT-ZETCQYMHSA-N 0 1 268.234 3.650 20 0 CHADMN Clc1ccc(C2CCN(Cc3ccno3)CC2)cc1 ZINC000274947979 526942309 /nfs/dbraw/zinc/94/23/09/526942309.db2.gz GOMYGJOWHYRZKK-UHFFFAOYSA-N 0 1 276.767 3.708 20 0 CHADMN Cc1nc(F)ccc1CN(C)[C@@H](C)c1cccs1 ZINC000278361636 526944870 /nfs/dbraw/zinc/94/48/70/526944870.db2.gz AYOQTBXATOLGRT-NSHDSACASA-N 0 1 264.369 3.784 20 0 CHADMN Clc1cccc(Cl)c1CNCCc1nccs1 ZINC000060230127 526979723 /nfs/dbraw/zinc/97/97/23/526979723.db2.gz QKUJFKQFILWGEW-UHFFFAOYSA-N 0 1 287.215 3.782 20 0 CHADMN Clc1nccc(CN2C[C@@H]3CCC[C@H]3C2)c1Cl ZINC000290380894 527008667 /nfs/dbraw/zinc/00/86/67/527008667.db2.gz IMEDNPGNUIXCGV-UWVGGRQHSA-N 0 1 271.191 3.620 20 0 CHADMN Cc1nc2cccc(C(=O)N(C)c3cc(C)cc(C)c3)c2[nH]1 ZINC000338582973 527150739 /nfs/dbraw/zinc/15/07/39/527150739.db2.gz VPKJEVDJPQKUPP-UHFFFAOYSA-N 0 1 293.370 3.765 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000338500033 527152310 /nfs/dbraw/zinc/15/23/10/527152310.db2.gz CZZZCKYEVMDBPF-BBRMVZONSA-N 0 1 297.402 3.666 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3cc(C)cc(F)c3)c2[nH]1 ZINC000338552765 527155340 /nfs/dbraw/zinc/15/53/40/527155340.db2.gz VAQTVHXVRPXFCD-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3cc(C)ccc3C)c2[nH]1 ZINC000338507233 527155442 /nfs/dbraw/zinc/15/54/42/527155442.db2.gz QHRYWGRJJTZVNJ-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN Cc1ncc(C(=O)N2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)[nH]1 ZINC000339225735 527227648 /nfs/dbraw/zinc/22/76/48/527227648.db2.gz ZYACLKVSXLKBPB-DYVFJYSZSA-N 0 1 297.402 3.640 20 0 CHADMN CC(C)(O)CCN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000347270412 527321394 /nfs/dbraw/zinc/32/13/94/527321394.db2.gz TUSXZXGMLRFREU-CQSZACIVSA-N 0 1 299.867 3.591 20 0 CHADMN Cc1nccc(NC[C@@H]2CCCSC2)c1Cl ZINC000309612215 527350651 /nfs/dbraw/zinc/35/06/51/527350651.db2.gz AMDGCEBQCFTLCF-JTQLQIEISA-N 0 1 256.802 3.599 20 0 CHADMN N[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000055422360 527382171 /nfs/dbraw/zinc/38/21/71/527382171.db2.gz NVTVKIXKDYDYKY-ZDUSSCGKSA-N 0 1 295.169 3.632 20 0 CHADMN Cc1ncsc1CN[C@@H](C)c1ccc(Cl)cc1 ZINC000071212365 527512968 /nfs/dbraw/zinc/51/29/68/527512968.db2.gz FYQUGCLGCVZFJS-VIFPVBQESA-N 0 1 266.797 3.956 20 0 CHADMN OCC[C@H](NCc1sccc1Cl)c1ccccc1 ZINC000278499864 527568841 /nfs/dbraw/zinc/56/88/41/527568841.db2.gz ACRKNDWPOBEJQW-ZDUSSCGKSA-N 0 1 281.808 3.615 20 0 CHADMN OCC[C@H](NCc1ccc(Cl)cc1F)c1ccccc1 ZINC000275489040 527569410 /nfs/dbraw/zinc/56/94/10/527569410.db2.gz RYPSHUXCFQJFGO-INIZCTEOSA-N 0 1 293.769 3.692 20 0 CHADMN O=C([O-])CC[N@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000238159693 527590304 /nfs/dbraw/zinc/59/03/04/527590304.db2.gz JRKWBOICPYQPEE-AWEZNQCLSA-N 0 1 281.783 3.732 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1ccccc1Cl ZINC000050925114 527599397 /nfs/dbraw/zinc/59/93/97/527599397.db2.gz BSLYUSMTOUGTOG-CYBMUJFWSA-N 0 1 281.783 3.559 20 0 CHADMN OC[C@H](NCc1ccc(C2CCC2)cc1)c1ccsc1 ZINC000339353501 527609846 /nfs/dbraw/zinc/60/98/46/527609846.db2.gz HPNNCFTTYTZVCW-KRWDZBQOSA-N 0 1 287.428 3.839 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000299744341 527628957 /nfs/dbraw/zinc/62/89/57/527628957.db2.gz OHACPQISVVAAJH-LLVKDONJSA-N 0 1 299.773 3.556 20 0 CHADMN Cn1nccc1[C@H]1CCCCN1Cc1cc2ccccc2o1 ZINC000337258448 527629492 /nfs/dbraw/zinc/62/94/92/527629492.db2.gz OLVGHJBPGIYLIY-QGZVFWFLSA-N 0 1 295.386 3.894 20 0 CHADMN FC(F)(F)c1cnc(CNCCC2CCCC2)s1 ZINC000278670668 527689103 /nfs/dbraw/zinc/68/91/03/527689103.db2.gz OAIBBHRMTSRESA-UHFFFAOYSA-N 0 1 278.343 3.832 20 0 CHADMN CCO[C@@H]1C[C@@H](N(C)Cc2cnc(C(C)C)s2)C1(C)C ZINC000353781218 527803325 /nfs/dbraw/zinc/80/33/25/527803325.db2.gz OHMZFKSNZVKQNJ-ZIAGYGMSSA-N 0 1 296.480 3.902 20 0 CHADMN CCO[C@@H]1C[C@H](N(C)Cc2cnc(C(C)C)s2)C1(C)C ZINC000353781217 527903960 /nfs/dbraw/zinc/90/39/60/527903960.db2.gz OHMZFKSNZVKQNJ-UONOGXRCSA-N 0 1 296.480 3.902 20 0 CHADMN CCCN(Cc1nc(C)cs1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000353742514 528154204 /nfs/dbraw/zinc/15/42/04/528154204.db2.gz AQOKDYFMQPMYBP-KGLIPLIRSA-N 0 1 296.480 3.867 20 0 CHADMN CCCN1CCC[C@@H]1C(=O)Nc1csc2ccccc12 ZINC000352572969 528224904 /nfs/dbraw/zinc/22/49/04/528224904.db2.gz OPAJXORQKHCEJW-CQSZACIVSA-N 0 1 288.416 3.714 20 0 CHADMN CCC[C@H](NCc1ccc2cc[nH]c2n1)c1ccccn1 ZINC000353631409 528228532 /nfs/dbraw/zinc/22/85/32/528228532.db2.gz QCLKXOAWFPORKY-HNNXBMFYSA-N 0 1 280.375 3.589 20 0 CHADMN CC(C)Oc1ccccc1CNCc1ccc2cc[nH]c2n1 ZINC000353216004 528255573 /nfs/dbraw/zinc/25/55/73/528255573.db2.gz FXZFCHKDMDJHGU-UHFFFAOYSA-N 0 1 295.386 3.640 20 0 CHADMN CCC(=O)CCCN(Cc1ccccc1F)C1CC1 ZINC000347721657 528285689 /nfs/dbraw/zinc/28/56/89/528285689.db2.gz QBAJJNORZPNEKX-UHFFFAOYSA-N 0 1 263.356 3.549 20 0 CHADMN CCN(CCC1CC1)Cc1csc(C2CC2)n1 ZINC000355066811 528425371 /nfs/dbraw/zinc/42/53/71/528425371.db2.gz VUUWCTMMJJUZDF-UHFFFAOYSA-N 0 1 250.411 3.643 20 0 CHADMN CC(C)Cc1ccc(CN(C)[C@@H](C)c2cnn(C)c2)cc1 ZINC000347660325 528649587 /nfs/dbraw/zinc/64/95/87/528649587.db2.gz XOGIIFRPHAVNLU-HNNXBMFYSA-N 0 1 285.435 3.812 20 0 CHADMN CCN(Cc1c(F)cccc1F)C[C@H]1CCO[C@H](C)C1 ZINC000352729733 528760898 /nfs/dbraw/zinc/76/08/98/528760898.db2.gz WLYDNONGPMWPDL-OLZOCXBDSA-N 0 1 283.362 3.602 20 0 CHADMN CCOc1ccccc1[C@H](CC)N[C@H](C)c1ccnn1C ZINC000192798832 528761217 /nfs/dbraw/zinc/76/12/17/528761217.db2.gz NATNHWCPRCFOLD-HIFRSBDPSA-N 0 1 287.407 3.621 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CCC(OC)CC1 ZINC000347390692 529179697 /nfs/dbraw/zinc/17/96/97/529179697.db2.gz HVTURLWDGHAXJE-OAHLLOKOSA-N 0 1 269.335 3.527 20 0 CHADMN CC[C@@H](NCc1cc(OC)cc(C)n1)c1ccc(C)cc1 ZINC000347695266 529181778 /nfs/dbraw/zinc/18/17/78/529181778.db2.gz YOKFYJCRXZQUMY-GOSISDBHSA-N 0 1 284.403 3.948 20 0 CHADMN CC[C@H](CN[C@@H](C)c1nc(-c2ccccc2)cs1)OC ZINC000353570675 529369197 /nfs/dbraw/zinc/36/91/97/529369197.db2.gz FMGMDFHZSZUMLE-GXTWGEPZSA-N 0 1 290.432 3.886 20 0 CHADMN CC[C@H](CN[C@H](C)c1nc2ccccc2n1C(F)F)OC ZINC000353558401 529370746 /nfs/dbraw/zinc/37/07/46/529370746.db2.gz JFQFHCWRDBBJEG-GHMZBOCLSA-N 0 1 297.349 3.507 20 0 CHADMN CCC(CC)[C@@H](C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000341765559 535100026 /nfs/dbraw/zinc/10/00/26/535100026.db2.gz FOJHINGSUDDOQE-SNVBAGLBSA-N 0 1 259.353 3.574 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(C)o2)c(C)c1OC ZINC000342082486 536896479 /nfs/dbraw/zinc/89/64/79/536896479.db2.gz JWTCRJOFWCQSCI-ZDUSSCGKSA-N 0 1 289.375 3.764 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2cc3ccccc3n2C)on1 ZINC000216488670 570305521 /nfs/dbraw/zinc/30/55/21/570305521.db2.gz XZYXZPNUZKIXKZ-KRWDZBQOSA-N 0 1 295.386 3.812 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCC[C@H]2CC2CCCCC2)c1 ZINC000578777990 599849905 /nfs/dbraw/zinc/84/99/05/599849905.db2.gz BWHTXLDEKJQINF-HNNXBMFYSA-N 0 1 291.391 3.913 20 0 CHADMN C[C@@H](c1cccc(F)c1)[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736717360 600081137 /nfs/dbraw/zinc/08/11/37/600081137.db2.gz MQABOTHQUWIWEZ-NSHDSACASA-N 0 1 285.318 3.601 20 0 CHADMN C[C@@H](c1cccc(F)c1)[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736717360 600081140 /nfs/dbraw/zinc/08/11/40/600081140.db2.gz MQABOTHQUWIWEZ-NSHDSACASA-N 0 1 285.318 3.601 20 0 CHADMN CCCC[N@@H+](CCCC(=O)[O-])[C@H](C)c1ccc(C)o1 ZINC000734849625 600227628 /nfs/dbraw/zinc/22/76/28/600227628.db2.gz JHNGFJFHPJUAOR-CYBMUJFWSA-N 0 1 267.369 3.616 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000086807831 600366804 /nfs/dbraw/zinc/36/68/04/600366804.db2.gz GWNSCFQFNVDOEY-STQMWFEESA-N 0 1 271.360 3.553 20 0 CHADMN C[C@@H]([NH2+][C@@H](C(=O)[O-])c1cccc(Cl)c1)c1cccs1 ZINC000143443801 600417131 /nfs/dbraw/zinc/41/71/31/600417131.db2.gz BTESZYKAJLLRDN-NOZJJQNGSA-N 0 1 295.791 3.878 20 0 CHADMN C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000736834628 600440821 /nfs/dbraw/zinc/44/08/21/600440821.db2.gz BJZYNRGZXVRLMU-LBPRGKRZSA-N 0 1 299.345 3.643 20 0 CHADMN Cc1cc(C[N@@H+]2CCC[C@H](C(C)C)CC2)oc1C(=O)[O-] ZINC000079349454 600509294 /nfs/dbraw/zinc/50/92/94/600509294.db2.gz DNSFXEOEVUVTFW-ZDUSSCGKSA-N 0 1 279.380 3.544 20 0 CHADMN CC[C@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000128038487 600574294 /nfs/dbraw/zinc/57/42/94/600574294.db2.gz UZMVTRVXYNWOEV-HNNXBMFYSA-N 0 1 261.365 3.539 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC000828289716 600862777 /nfs/dbraw/zinc/86/27/77/600862777.db2.gz LRGBYJICJHOYHT-BBRMVZONSA-N 0 1 299.370 3.951 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000191408212 600995338 /nfs/dbraw/zinc/99/53/38/600995338.db2.gz LPGRZGKISQVPRF-KRWDZBQOSA-N 0 1 283.371 3.649 20 0 CHADMN C[C@H]1c2ccccc2C[N@H+]1[C@@H](C(=O)[O-])c1ccccc1F ZINC000828526841 601116810 /nfs/dbraw/zinc/11/68/10/601116810.db2.gz DZZZSRCSUJAWKX-MEDUHNTESA-N 0 1 285.318 3.528 20 0 CHADMN C[N@H+](Cc1cc2ccccc2o1)[C@H](C(=O)[O-])c1ccccc1 ZINC000830811084 601119821 /nfs/dbraw/zinc/11/98/21/601119821.db2.gz LWIFDWXNAJUAGH-KRWDZBQOSA-N 0 1 295.338 3.691 20 0 CHADMN C[N@@H+](Cc1cc2ccccc2o1)[C@H](C(=O)[O-])c1ccccc1 ZINC000830811084 601119822 /nfs/dbraw/zinc/11/98/22/601119822.db2.gz LWIFDWXNAJUAGH-KRWDZBQOSA-N 0 1 295.338 3.691 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000827928812 601182367 /nfs/dbraw/zinc/18/23/67/601182367.db2.gz QVHYGLSBPUEFCO-MFKMUULPSA-N 0 1 289.306 3.625 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000827928812 601182368 /nfs/dbraw/zinc/18/23/68/601182368.db2.gz QVHYGLSBPUEFCO-MFKMUULPSA-N 0 1 289.306 3.625 20 0 CHADMN O=C([O-])CCC[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000175606718 601329678 /nfs/dbraw/zinc/32/96/78/601329678.db2.gz OVDATQCLGLYJSX-UHFFFAOYSA-N 0 1 297.345 3.574 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000568060449 601413013 /nfs/dbraw/zinc/41/30/13/601413013.db2.gz DCFYWZVIPFXFPB-SNVBAGLBSA-N 0 1 293.388 3.795 20 0 CHADMN CC[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CCCCC1 ZINC000011993869 601584858 /nfs/dbraw/zinc/58/48/58/601584858.db2.gz SLLXKEOJYMGARP-UHFFFAOYSA-N 0 1 261.365 3.539 20 0 CHADMN CC[N@@H+](Cc1cccs1)Cc1ccsc1C(=O)[O-] ZINC000104331034 601805175 /nfs/dbraw/zinc/80/51/75/601805175.db2.gz ANQOXZMDZOSTHW-UHFFFAOYSA-N 0 1 281.402 3.530 20 0 CHADMN C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC000582067688 601805848 /nfs/dbraw/zinc/80/58/48/601805848.db2.gz DWEAMFMWRUSUEM-SNVBAGLBSA-N 0 1 293.363 3.778 20 0 CHADMN C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccsc1C(=O)[O-] ZINC000568065728 601823962 /nfs/dbraw/zinc/82/39/62/601823962.db2.gz DFPMETCXJUTYHQ-NSHDSACASA-N 0 1 287.384 3.566 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccsc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000828463019 601836678 /nfs/dbraw/zinc/83/66/78/601836678.db2.gz OEJQSFIGKAJMQM-SMDDNHRTSA-N 0 1 287.384 3.639 20 0 CHADMN CCC[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccccc1 ZINC000383808560 601936126 /nfs/dbraw/zinc/93/61/26/601936126.db2.gz PICBVNKWZSCNGF-UHFFFAOYSA-N 0 1 289.400 3.859 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccccc1C ZINC000829719111 601941128 /nfs/dbraw/zinc/94/11/28/601941128.db2.gz ZBGHHVCIVWXEAC-UHFFFAOYSA-N 0 1 289.400 3.777 20 0 CHADMN CC[C@H](Nc1ccc([N@@H+]2CCCC[C@H]2C)cc1C)C(=O)[O-] ZINC000828999116 602099359 /nfs/dbraw/zinc/09/93/59/602099359.db2.gz QTULPYSARNEAJO-HIFRSBDPSA-N 0 1 290.407 3.649 20 0 CHADMN CC[C@H](Nc1ccc([N@H+]2CCCC[C@H]2C)cc1C)C(=O)[O-] ZINC000828999116 602099363 /nfs/dbraw/zinc/09/93/63/602099363.db2.gz QTULPYSARNEAJO-HIFRSBDPSA-N 0 1 290.407 3.649 20 0 CHADMN Cc1cc([C@@H](C)[N@@H+](C)Cc2ccccc2C)oc1C(=O)[O-] ZINC000565101220 604381875 /nfs/dbraw/zinc/38/18/75/604381875.db2.gz BWQXKUYPEJJWHW-CYBMUJFWSA-N 0 1 287.359 3.788 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833548530 604533023 /nfs/dbraw/zinc/53/30/23/604533023.db2.gz DOJVCZDWKZNSKZ-SNVBAGLBSA-N 0 1 292.766 3.559 20 0 CHADMN C[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccccc2Cl)s1 ZINC000833691774 604540874 /nfs/dbraw/zinc/54/08/74/604540874.db2.gz ADFXVCFJFHZGTA-UHFFFAOYSA-N 0 1 295.791 3.585 20 0 CHADMN O=C([O-])[C@@H](CNc1cc[nH+]c2ccsc21)c1ccccc1 ZINC000833162943 604803460 /nfs/dbraw/zinc/80/34/60/604803460.db2.gz AXCPUUWITSBJFW-LBPRGKRZSA-N 0 1 298.367 3.577 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000833545903 605057938 /nfs/dbraw/zinc/05/79/38/605057938.db2.gz BZYBQOKJOSBRDT-NEPJUHHUSA-N 0 1 277.364 3.551 20 0 CHADMN C[C@H](c1ccco1)[N@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000652389238 605830933 /nfs/dbraw/zinc/83/09/33/605830933.db2.gz GWMNHFTXQFLUAU-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000652389238 605830935 /nfs/dbraw/zinc/83/09/35/605830935.db2.gz GWMNHFTXQFLUAU-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN CC(C)[N@H+](Cc1cc(C(=O)[O-])ccc1Cl)CC1CC1 ZINC000566357929 605836850 /nfs/dbraw/zinc/83/68/50/605836850.db2.gz PLSJDPMHUPMNLB-UHFFFAOYSA-N 0 1 281.783 3.659 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])C1c2ccccc2-c2ccccc21 ZINC000086776120 949064255 /nfs/dbraw/zinc/06/42/55/949064255.db2.gz DAQGMBQYMOUCGO-UHFFFAOYSA-N 0 1 281.355 3.553 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000086784243 949066501 /nfs/dbraw/zinc/06/65/01/949066501.db2.gz KAQUJXHASBHCKZ-OAHLLOKOSA-N 0 1 299.773 3.556 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC000125382291 949256847 /nfs/dbraw/zinc/25/68/47/949256847.db2.gz AXHGPXHFJBPWMP-OAHLLOKOSA-N 0 1 267.413 3.534 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC000130297490 949283000 /nfs/dbraw/zinc/28/30/00/949283000.db2.gz XNDYGDPUJDTLBN-JXQTWKCFSA-N 0 1 269.429 3.634 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000164692401 949415715 /nfs/dbraw/zinc/41/57/15/949415715.db2.gz YDSXIDOVDKYVQK-LLVKDONJSA-N 0 1 299.773 3.556 20 0 CHADMN Cc1ccc(C)c(CN2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000126823193 1125457445 /nfs/dbraw/zinc/45/74/45/1125457445.db2.gz BNMXNCWQRAJKGU-LJQANCHMSA-N 0 1 297.398 3.583 20 0 CHADMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1nc(C(C)(C)C)no1)C1CC1 ZINC000104966299 1125457586 /nfs/dbraw/zinc/45/75/86/1125457586.db2.gz DJGDPNBRUFKRBN-VXGBXAGGSA-N 0 1 279.428 3.766 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1nc(C(C)(C)C)no1)C1CC1 ZINC000104966299 1125457587 /nfs/dbraw/zinc/45/75/87/1125457587.db2.gz DJGDPNBRUFKRBN-VXGBXAGGSA-N 0 1 279.428 3.766 20 0 CHADMN C[C@@H]1CCCC[C@H]1C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000394794314 951457145 /nfs/dbraw/zinc/45/71/45/951457145.db2.gz AEVIHDHULRJUMB-ILXRZTDVSA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])CCC[N@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC000578590303 953702829 /nfs/dbraw/zinc/70/28/29/953702829.db2.gz YEVNLTJATWLLMR-KRWDZBQOSA-N 0 1 289.419 3.586 20 0 CHADMN CCCC[C@H](CC)C[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000386637264 972070973 /nfs/dbraw/zinc/07/09/73/972070973.db2.gz QTHDTYOREBLRPS-ZDUSSCGKSA-N 0 1 255.402 3.532 20 0 CHADMN CC[C@@H]1c2ccccc2CC[N@@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903695962 956881208 /nfs/dbraw/zinc/88/12/08/956881208.db2.gz OCGSPJDNRVZETA-MRXNPFEDSA-N 0 1 287.403 3.641 20 0 CHADMN CC(C)CC[C@H]1CCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903697359 956887427 /nfs/dbraw/zinc/88/74/27/956887427.db2.gz KPOCVLYLBCHQLN-CQSZACIVSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)c1ccccc1C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000903702977 956895663 /nfs/dbraw/zinc/89/56/63/956895663.db2.gz NVKAMSRMVZFODS-HNNXBMFYSA-N 0 1 275.392 3.639 20 0 CHADMN O=C([O-])C[N@@H+](Cc1c(F)cccc1Cl)C1CCCCC1 ZINC000032185082 957175838 /nfs/dbraw/zinc/17/58/38/957175838.db2.gz ABOWYHNPXIPZPO-UHFFFAOYSA-N 0 1 299.773 3.698 20 0 CHADMN Cc1ccc(C)c(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000049257339 957476147 /nfs/dbraw/zinc/47/61/47/957476147.db2.gz OYJUBCMZLJUDRM-UHFFFAOYSA-N 0 1 283.371 3.634 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@H+](C)Cc1ccoc1C(=O)[O-] ZINC000062015186 957597001 /nfs/dbraw/zinc/59/70/01/957597001.db2.gz LFQDENCYTMIGRY-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1ccoc1C(=O)[O-] ZINC000062015186 957597002 /nfs/dbraw/zinc/59/70/02/957597002.db2.gz LFQDENCYTMIGRY-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN C[C@H]([NH2+]Cc1ccc(C(=O)[O-])o1)c1cc2ccccc2o1 ZINC000071381114 957723566 /nfs/dbraw/zinc/72/35/66/957723566.db2.gz IBRBAKAXJPHWDT-JTQLQIEISA-N 0 1 285.299 3.575 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@@H](C(C)(C)C)CC2)cc1C(=O)[O-] ZINC000079349513 957756218 /nfs/dbraw/zinc/75/62/18/957756218.db2.gz HWSVFATVVAWYJD-CYBMUJFWSA-N 0 1 293.407 3.934 20 0 CHADMN O=C([O-])[C@@H]1CCCCC[N@H+]1Cc1cccc2ccccc21 ZINC000080992169 957772600 /nfs/dbraw/zinc/77/26/00/957772600.db2.gz RJOUGZXXHUTCNU-KRWDZBQOSA-N 0 1 283.371 3.669 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000088256154 958050869 /nfs/dbraw/zinc/05/08/69/958050869.db2.gz XVWGMNJLHQBZIG-LLVKDONJSA-N 0 1 281.783 3.588 20 0 CHADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1CCC1CCCCC1 ZINC000127458252 958613930 /nfs/dbraw/zinc/61/39/30/958613930.db2.gz VRZBGYKAGCGCKY-KRWDZBQOSA-N 0 1 287.403 3.641 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2cnoc2C)o1 ZINC000128757608 1125468753 /nfs/dbraw/zinc/46/87/53/1125468753.db2.gz PBHCVHXXVGYOJL-IAQYHMDHSA-N 0 1 274.364 3.858 20 0 CHADMN CC(=O)Nc1cccc(CN(C)[C@@H](C)c2cccc(O)c2)c1 ZINC000109781058 1125469469 /nfs/dbraw/zinc/46/94/69/1125469469.db2.gz XYFLNTLBGBATAG-ZDUSSCGKSA-N 0 1 298.386 3.544 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000162542615 959217086 /nfs/dbraw/zinc/21/70/86/959217086.db2.gz VZAMDNFNEWEXOB-LLVKDONJSA-N 0 1 299.773 3.556 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC(n2ccnc2)CC1 ZINC000109795237 1125471015 /nfs/dbraw/zinc/47/10/15/1125471015.db2.gz LGBBFYSTOSIGPI-GFCCVEGCSA-N 0 1 291.345 3.559 20 0 CHADMN Cc1cccc([C@H](C)[N@H+]2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000203522989 959645619 /nfs/dbraw/zinc/64/56/19/959645619.db2.gz YQZBAIUEDOKAAK-LSDHHAIUSA-N 0 1 275.392 3.633 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000221541225 959808148 /nfs/dbraw/zinc/80/81/48/959808148.db2.gz VBBRDKXEWZEVCF-DVOMOZLQSA-N 0 1 289.419 3.840 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000233364986 960317814 /nfs/dbraw/zinc/31/78/14/960317814.db2.gz ONIVLPSXUWBKGV-ZDUSSCGKSA-N 0 1 279.355 3.679 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001573736212 960438707 /nfs/dbraw/zinc/43/87/07/960438707.db2.gz RSRIJZDTDQJJBQ-JFGNBEQYSA-N 0 1 299.773 3.583 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001140506305 960502121 /nfs/dbraw/zinc/50/21/21/960502121.db2.gz CRWDUVYQMLOPRM-AWEZNQCLSA-N 0 1 299.345 3.513 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@H]2c2ccccc2)o1 ZINC001140942243 960505094 /nfs/dbraw/zinc/50/50/94/960505094.db2.gz ROTCEAWHXQPWQT-HNNXBMFYSA-N 0 1 285.343 3.705 20 0 CHADMN CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC001204158816 960603061 /nfs/dbraw/zinc/60/30/61/960603061.db2.gz SZGGAVLJSLOIEL-UHFFFAOYSA-N 0 1 283.371 3.715 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC001603286820 972526386 /nfs/dbraw/zinc/52/63/86/972526386.db2.gz MCUDFFGUHLCNFB-GHMZBOCLSA-N 0 1 299.773 3.727 20 0 CHADMN C[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)CC1(C)C ZINC001326509650 961102835 /nfs/dbraw/zinc/10/28/35/961102835.db2.gz HDTRHLUKZKATRI-SMDDNHRTSA-N 0 1 295.810 3.834 20 0 CHADMN C[C@@H]1CCCC[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001326553325 961110935 /nfs/dbraw/zinc/11/09/35/961110935.db2.gz RBGLLSZSLZBXKP-RISCZKNCSA-N 0 1 281.783 3.588 20 0 CHADMN C[C@@H]1CCN(Cc2ncc(-c3ccc(F)cc3)o2)C[C@H]1C ZINC000536589991 1125478382 /nfs/dbraw/zinc/47/83/82/1125478382.db2.gz WSANHLMIXXJGDC-CHWSQXEVSA-N 0 1 288.366 3.959 20 0 CHADMN F[C@H]1CCC[C@@H]1NCc1cnc(C2CCCC2)s1 ZINC000339589688 1117893888 /nfs/dbraw/zinc/89/38/88/1117893888.db2.gz IPIAINVFVVDEGH-STQMWFEESA-N 0 1 268.401 3.781 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2[C@H](C)CCC[C@@H]2C(=O)[O-])cc1 ZINC001588905926 962270335 /nfs/dbraw/zinc/27/03/35/962270335.db2.gz AKTWLFVFPSDGLE-RHSMWYFYSA-N 0 1 289.419 3.713 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC001348243343 962436435 /nfs/dbraw/zinc/43/64/35/962436435.db2.gz DHGXKWGKFGZUGA-CQSZACIVSA-N 0 1 295.810 3.978 20 0 CHADMN C[C@@H]1CO[C@H](c2ccccc2)CN1Cc1cccs1 ZINC000130629909 1125483795 /nfs/dbraw/zinc/48/37/95/1125483795.db2.gz HGOPTLSVJMFIPC-CJNGLKHVSA-N 0 1 273.401 3.710 20 0 CHADMN O=C([O-])CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC001574702164 962685489 /nfs/dbraw/zinc/68/54/89/962685489.db2.gz OWICYQUDPDICRD-GVDBMIGSSA-N 0 1 287.403 3.509 20 0 CHADMN C[N@@H+](CC1CCC(C)(C)CC1)C1(C(=O)[O-])CCCCC1 ZINC000312555714 963574099 /nfs/dbraw/zinc/57/40/99/963574099.db2.gz MMMYNYCPETXBEU-UHFFFAOYSA-N 0 1 281.440 3.922 20 0 CHADMN O=C([O-])c1cccc2c1CC[N@H+]([C@@H]1C=CCCCCC1)C2 ZINC000313928757 963692408 /nfs/dbraw/zinc/69/24/08/963692408.db2.gz ZKAKOTSXOYGJSS-OAHLLOKOSA-N 0 1 285.387 3.632 20 0 CHADMN COc1ccc(CN2CC[C@@]3(CC3(F)F)C2)c(Cl)c1 ZINC000649906904 1118012993 /nfs/dbraw/zinc/01/29/93/1118012993.db2.gz FOZLBOQSQWKOKA-CYBMUJFWSA-N 0 1 287.737 3.580 20 0 CHADMN CSC[C@H]1CCCN1Cc1ncc(C(C)C)s1 ZINC000183107543 1118038438 /nfs/dbraw/zinc/03/84/38/1118038438.db2.gz HYNOEWSOAFCFLP-LLVKDONJSA-N 0 1 270.467 3.594 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1Cl ZINC000124456466 967619758 /nfs/dbraw/zinc/61/97/58/967619758.db2.gz ULRGOMAEAJGONO-ZDUSSCGKSA-N 0 1 299.773 3.698 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+]1CCC[C@](CC)(C(=O)[O-])C1 ZINC000227833029 967708682 /nfs/dbraw/zinc/70/86/82/967708682.db2.gz TVULKWUVWLORKY-RDJZCZTQSA-N 0 1 275.392 3.715 20 0 CHADMN Cc1ccc(CCC[N@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000652495097 968636710 /nfs/dbraw/zinc/63/67/10/968636710.db2.gz LNJJFPXWJNHOFE-QGZVFWFLSA-N 0 1 289.419 3.504 20 0 CHADMN CCCc1cccc(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000871621381 969347854 /nfs/dbraw/zinc/34/78/54/969347854.db2.gz ALDPNUVXBUHUMY-MRXNPFEDSA-N 0 1 289.419 3.716 20 0 CHADMN CC[C@@H]1CCC[C@@H](C[N@H+]2CCCCC[C@H]2C(=O)[O-])C1 ZINC000394539434 972720160 /nfs/dbraw/zinc/72/01/60/972720160.db2.gz RNYSXHNNGBVUED-KFWWJZLASA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)C[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1F ZINC000396949762 972954146 /nfs/dbraw/zinc/95/41/46/972954146.db2.gz NRBAWKWQUVIRBT-CQSZACIVSA-N 0 1 279.355 3.534 20 0 CHADMN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC000399526213 973224501 /nfs/dbraw/zinc/22/45/01/973224501.db2.gz FESBEGWGKXHYPZ-OUAUKWLOSA-N 0 1 281.783 3.515 20 0 CHADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)C[C@@H]1CC2CCC1CC2 ZINC000399972012 973245695 /nfs/dbraw/zinc/24/56/95/973245695.db2.gz FLAJYYPKEWYVNC-PGEKIEPBSA-N 0 1 287.403 3.643 20 0 CHADMN Cc1ccccc1SC[C@H](C)C[N@@H+](C)CCCC(=O)[O-] ZINC001605357139 973275838 /nfs/dbraw/zinc/27/58/38/973275838.db2.gz XAOACTHPJNGCHJ-CYBMUJFWSA-N 0 1 295.448 3.520 20 0 CHADMN CC[C@@H]1CCCC[C@H]1C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000401431947 973364939 /nfs/dbraw/zinc/36/49/39/973364939.db2.gz IJWVCQOURRUXIX-QLFBSQMISA-N 0 1 267.413 3.532 20 0 CHADMN Cc1oc(C[N@H+](C)[C@@H]2CCCc3ccccc32)cc1C(=O)[O-] ZINC000516187822 974305042 /nfs/dbraw/zinc/30/50/42/974305042.db2.gz IUPDCVPTCSLVQN-QGZVFWFLSA-N 0 1 299.370 3.796 20 0 CHADMN CC1(C)[C@@H](c2cccc(F)c2)CC[N@H+]1CCCCC(=O)[O-] ZINC000530172254 974362018 /nfs/dbraw/zinc/36/20/18/974362018.db2.gz FZKGNEZABCEUDP-OAHLLOKOSA-N 0 1 293.382 3.649 20 0 CHADMN CCC1CCC([N@@H+](Cc2ccc(C(=O)[O-])o2)C2CC2)CC1 ZINC000565544972 974583814 /nfs/dbraw/zinc/58/38/14/974583814.db2.gz WQKWLCHPEHAUCF-UHFFFAOYSA-N 0 1 291.391 3.911 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC000565542009 974584058 /nfs/dbraw/zinc/58/40/58/974584058.db2.gz BVYKNEHQCFOBNG-MRXNPFEDSA-N 0 1 285.343 3.623 20 0 CHADMN O=C([O-])c1occc1C[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000565663008 974586240 /nfs/dbraw/zinc/58/62/40/974586240.db2.gz VZHGOCMMVIIDOK-FDMDGMSGSA-N 0 1 297.354 3.656 20 0 CHADMN C[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000566358460 974607421 /nfs/dbraw/zinc/60/74/21/974607421.db2.gz WYKBYVIHYWXWNY-IINYFYTJSA-N 0 1 299.773 3.727 20 0 CHADMN CCC[C@]1(C)CCC[N@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000566359985 974608693 /nfs/dbraw/zinc/60/86/93/974608693.db2.gz NKNLGEYVCXMNSV-DOTOQJQBSA-N 0 1 293.382 3.854 20 0 CHADMN Cc1cc([C@@H](C)[N@@H+](C)Cc2cccc(F)c2)oc1C(=O)[O-] ZINC000567117132 974627624 /nfs/dbraw/zinc/62/76/24/974627624.db2.gz YMFCDTVAOJOPRP-LLVKDONJSA-N 0 1 291.322 3.618 20 0 CHADMN CCS[C@@H]1CCCC[N@@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000568061589 974656692 /nfs/dbraw/zinc/65/66/92/974656692.db2.gz LADWXZFNMGRSRG-GFCCVEGCSA-N 0 1 299.461 3.554 20 0 CHADMN O=C([O-])c1occc1C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000568061003 974657126 /nfs/dbraw/zinc/65/71/26/974657126.db2.gz WKTYCHSFCFQUTD-OAHLLOKOSA-N 0 1 291.391 3.913 20 0 CHADMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000570220548 974707916 /nfs/dbraw/zinc/70/79/16/974707916.db2.gz VIVSJKJCSNJBQO-CMPLNLGQSA-N 0 1 281.783 3.801 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000570851618 974719898 /nfs/dbraw/zinc/71/98/98/974719898.db2.gz LNERYMVTYWQXRD-AWEZNQCLSA-N 0 1 291.391 3.913 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2Cc2ccoc2C(=O)[O-])cc1 ZINC000572489859 974749062 /nfs/dbraw/zinc/74/90/62/974749062.db2.gz GXJBFHCPBHCMEL-OAHLLOKOSA-N 0 1 285.343 3.623 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](Cc1ccco1)C(C)C ZINC000574047491 974775894 /nfs/dbraw/zinc/77/58/94/974775894.db2.gz ZNTSPDCXCMNIMM-UHFFFAOYSA-N 0 1 293.388 3.758 20 0 CHADMN Cc1ccc(C[N@@H+](Cc2occc2C(=O)[O-])C2CC2)cc1C ZINC000578199691 974850653 /nfs/dbraw/zinc/85/06/53/974850653.db2.gz SCWRGTLWELXAHM-UHFFFAOYSA-N 0 1 299.370 3.759 20 0 CHADMN O=C([O-])[C@@H](c1ccsc1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000578756248 974861268 /nfs/dbraw/zinc/86/12/68/974861268.db2.gz KDVFXFCNGBINQL-DGCLKSJQSA-N 0 1 293.413 3.772 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000580084824 974888617 /nfs/dbraw/zinc/88/86/17/974888617.db2.gz ARVVXQALBZEGBP-ZIAGYGMSSA-N 0 1 269.429 3.634 20 0 CHADMN CC(C)[N@H+](Cc1ccc(C(=O)[O-])cc1F)CC1CCC1 ZINC000582306463 974924233 /nfs/dbraw/zinc/92/42/33/974924233.db2.gz QAPYXSAOBSMRJM-UHFFFAOYSA-N 0 1 279.355 3.534 20 0 CHADMN CS[C@@H]1CCCC[N@H+]([C@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000593744304 974986184 /nfs/dbraw/zinc/98/61/84/974986184.db2.gz PDJFYPNSQPQZIE-VXGBXAGGSA-N 0 1 297.420 3.565 20 0 CHADMN CCC[C@@H](C)CCC[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000629362501 975083071 /nfs/dbraw/zinc/08/30/71/975083071.db2.gz URKSRYCPVJWEJH-OLZOCXBDSA-N 0 1 255.402 3.530 20 0 CHADMN C[C@H](C[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1F)C(C)(C)C ZINC000634697201 975274607 /nfs/dbraw/zinc/27/46/07/975274607.db2.gz CIDCMYKEEHFEEE-RISCZKNCSA-N 0 1 281.371 3.565 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@H+]2CCCC[C@H]2CC(=O)[O-])C1 ZINC000650506608 975448756 /nfs/dbraw/zinc/44/87/56/975448756.db2.gz SBYPSDHZBJXWQH-KFWWJZLASA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2C2CCC2)cc1Cl ZINC000652405662 975522219 /nfs/dbraw/zinc/52/22/19/975522219.db2.gz NHTNOPJADGEJIY-HNNXBMFYSA-N 0 1 293.794 3.803 20 0 CHADMN CCC(C)(C)CC[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000652498699 975561341 /nfs/dbraw/zinc/56/13/41/975561341.db2.gz QDVOAIGINIKCLB-CYBMUJFWSA-N 0 1 269.429 3.636 20 0 CHADMN Cc1cccc(C)c1[C@H]1CCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000656758429 975685919 /nfs/dbraw/zinc/68/59/19/975685919.db2.gz YGGYIMNMVOARLW-OAHLLOKOSA-N 0 1 287.403 3.695 20 0 CHADMN CC1(C)CC[N@@H+](Cc2ccc(C(=O)[O-])o2)CC(C)(C)C1 ZINC000656763030 975691276 /nfs/dbraw/zinc/69/12/76/975691276.db2.gz KAHUECCSNZOIJW-UHFFFAOYSA-N 0 1 279.380 3.626 20 0 CHADMN CC(C)=CCC[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000659789649 975875503 /nfs/dbraw/zinc/87/55/03/975875503.db2.gz SYJUQYBTIPIEML-UHFFFAOYSA-N 0 1 275.392 3.710 20 0 CHADMN O=C([O-])[C@]12C[N@@H+](CC/C=C/c3ccccc3)C[C@H]1CCCC2 ZINC000659800435 975892252 /nfs/dbraw/zinc/89/22/52/975892252.db2.gz ZFYULQORXAWWHT-PPJOAQQTSA-N 0 1 299.414 3.667 20 0 CHADMN CC1(C)CCCC[C@@H]1C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000662211035 975899020 /nfs/dbraw/zinc/89/90/20/975899020.db2.gz LQBXEEUDVXQXEA-LSDHHAIUSA-N 0 1 281.440 3.780 20 0 CHADMN Cc1ccc([C@H]2CC[N@@H+](Cc3cccc(C(=O)[O-])c3)C2)cc1 ZINC000666575960 975973282 /nfs/dbraw/zinc/97/32/82/975973282.db2.gz BDKNLNQQEQBYMU-SFHVURJKSA-N 0 1 295.382 3.683 20 0 CHADMN CC(C)c1[nH]c(C[N@H+]2CCCC(C)(C)CC2)cc1C(=O)[O-] ZINC001591912395 976343863 /nfs/dbraw/zinc/34/38/63/976343863.db2.gz LXARTOOGTYODCZ-UHFFFAOYSA-N 0 1 292.423 3.848 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC000708383675 977426356 /nfs/dbraw/zinc/42/63/56/977426356.db2.gz NGUOOBTXYNXXLU-GFCCVEGCSA-N 0 1 281.421 3.704 20 0 CHADMN CCC[C@@H]1CCC[N@@H+](Cc2ccc(C)c(C(=O)[O-])c2)C1 ZINC000708415336 977426670 /nfs/dbraw/zinc/42/66/70/977426670.db2.gz WUYOYFXOKFNYQP-CQSZACIVSA-N 0 1 275.392 3.705 20 0 CHADMN C[C@H](CC[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1)c1ccccc1 ZINC001592513330 978344769 /nfs/dbraw/zinc/34/47/69/978344769.db2.gz DRPWQVNVBFNZMX-KGLIPLIRSA-N 0 1 275.392 3.508 20 0 CHADMN C[C@H](N[C@H]1CCC[C@@H]1F)c1cnc2ccsc2c1 ZINC000340524410 1118315822 /nfs/dbraw/zinc/31/58/22/1118315822.db2.gz RKAGJDHXBVVPBS-DLOVCJGASA-N 0 1 264.369 3.838 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000859810450 979640347 /nfs/dbraw/zinc/64/03/47/979640347.db2.gz OJVNONDDESPMTN-GOEBONIOSA-N 0 1 267.413 3.556 20 0 CHADMN C[C@@H]([N@@H+](C)Cc1c2ccccc2[nH]c1C(=O)[O-])C(C)(C)C ZINC001592950630 980029600 /nfs/dbraw/zinc/02/96/00/980029600.db2.gz KWNBLEGQKOFBBR-LLVKDONJSA-N 0 1 288.391 3.733 20 0 CHADMN C[C@@H](C[N@H+]1Cc2ccccc2C[C@H]1C(=O)[O-])CC(C)(C)C ZINC000872159513 980043060 /nfs/dbraw/zinc/04/30/60/980043060.db2.gz IWVLDCKUBOHBJA-CJNGLKHVSA-N 0 1 289.419 3.570 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1c(C)ccc2cc(C)ccc21 ZINC000872159232 980043978 /nfs/dbraw/zinc/04/39/78/980043978.db2.gz BOYSWUQQOXATSX-UHFFFAOYSA-N 0 1 285.387 3.753 20 0 CHADMN CC(C)c1nsc(CN2[C@H](C)C[C@@H]3CCCC[C@H]32)n1 ZINC001167433795 1118502425 /nfs/dbraw/zinc/50/24/25/1118502425.db2.gz MCHGRINHIARYAR-FRRDWIJNSA-N 0 1 279.453 3.815 20 0 CHADMN CC[C@H]1CCCC[C@H]1C[N@@H+](CCC(=O)[O-])CC(C)C ZINC000901592228 980397159 /nfs/dbraw/zinc/39/71/59/980397159.db2.gz BTKPPDYBHZLJSP-GJZGRUSLSA-N 0 1 269.429 3.636 20 0 CHADMN CC[C@H](C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000901646830 980424353 /nfs/dbraw/zinc/42/43/53/980424353.db2.gz VNISIHSLPBMHFY-CQSZACIVSA-N 0 1 295.382 3.894 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000901700195 980454945 /nfs/dbraw/zinc/45/49/45/980454945.db2.gz RSQOEIOWCYKRQK-RDJZCZTQSA-N 0 1 281.440 3.946 20 0 CHADMN CC(C)C[N@@H+](C[C@@H](C)C(C)(C)C)CC(C)(C)C(=O)[O-] ZINC000901840111 980559004 /nfs/dbraw/zinc/55/90/04/980559004.db2.gz VQVHJPNNOGVZRC-CYBMUJFWSA-N 0 1 271.445 3.737 20 0 CHADMN CC(C)c1cccc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])c1 ZINC000902032404 980704259 /nfs/dbraw/zinc/70/42/59/980704259.db2.gz ABBXMTCJPVOTLY-INIZCTEOSA-N 0 1 275.392 3.639 20 0 CHADMN C[N@@H+](CCC1CCCCC1)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902211257 980784751 /nfs/dbraw/zinc/78/47/51/980784751.db2.gz OLNJXMBPXSULCP-KTKRTIGZSA-N 0 1 291.391 3.780 20 0 CHADMN CC1=CCC[N@@H+](Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC000902450722 980893177 /nfs/dbraw/zinc/89/31/77/980893177.db2.gz PJMYCLPTYZWHPQ-UHFFFAOYSA-N 0 1 297.354 3.797 20 0 CHADMN CC(C)(CC[N@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1)C(=O)[O-] ZINC000902470104 980902045 /nfs/dbraw/zinc/90/20/45/980902045.db2.gz YQRWDSGSIDUADS-ZIAGYGMSSA-N 0 1 281.440 3.636 20 0 CHADMN CCc1oc(C[N@H+]2C[C@H](C)CCC[C@H]2C)cc1C(=O)[O-] ZINC000902521610 980919244 /nfs/dbraw/zinc/91/92/44/980919244.db2.gz UAIBUKZXWXDAAF-VXGBXAGGSA-N 0 1 279.380 3.551 20 0 CHADMN C[C@@H]1CC[N@@H+](CCC(C)(C)C(=O)[O-])[C@H](c2ccco2)C1 ZINC000902521430 980919306 /nfs/dbraw/zinc/91/93/06/980919306.db2.gz NLRCIQIQBOBZAR-OLZOCXBDSA-N 0 1 279.380 3.554 20 0 CHADMN CCc1oc(C[N@H+]2CCCC[C@@H]2CC(C)C)cc1C(=O)[O-] ZINC000902523948 980920785 /nfs/dbraw/zinc/92/07/85/980920785.db2.gz MNBASUSNLKTSCC-CYBMUJFWSA-N 0 1 293.407 3.941 20 0 CHADMN CC(C)CC[C@H]1CCC[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902530550 980923705 /nfs/dbraw/zinc/92/37/05/980923705.db2.gz UOBBPLZHAIUUDS-CFYYFVFUSA-N 0 1 291.391 3.778 20 0 CHADMN C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902530824 980924097 /nfs/dbraw/zinc/92/40/97/980924097.db2.gz QYZOVLNOQGBAPD-GFCCVEGCSA-N 0 1 285.343 3.629 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000902542934 980927000 /nfs/dbraw/zinc/92/70/00/980927000.db2.gz PCNYOULYHMTIDN-IOASZLSFSA-N 0 1 299.370 3.744 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)[N@H+](CCC(C)(C)C(=O)[O-])C2)cc1 ZINC000902545989 980928300 /nfs/dbraw/zinc/92/83/00/980928300.db2.gz OMPDNORXHAOICB-ZBFHGGJFSA-N 0 1 289.419 3.674 20 0 CHADMN C[C@@H](C1CCCCC1)[N@@H+](C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902546316 980928752 /nfs/dbraw/zinc/92/87/52/980928752.db2.gz UELFJTPQROVOGA-NHAQELONSA-N 0 1 291.391 3.778 20 0 CHADMN C[C@@H](C1CCCCC1)[N@@H+](C)Cc1csc(C(=O)[O-])c1 ZINC000902546496 980928757 /nfs/dbraw/zinc/92/87/57/980928757.db2.gz WAFUGIOIFFOKJU-NSHDSACASA-N 0 1 281.421 3.847 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)CCc1cccc2ccccc21 ZINC000903594834 980978819 /nfs/dbraw/zinc/97/88/19/980978819.db2.gz HHXJAXUWNSUOIW-KBXCAEBGSA-N 0 1 299.414 3.813 20 0 CHADMN CC(C)C[N@@H+](CCCc1ccccc1)CC(C)(C)C(=O)[O-] ZINC000903621328 980997525 /nfs/dbraw/zinc/99/75/25/980997525.db2.gz UYMQEZXKDDPINF-UHFFFAOYSA-N 0 1 291.435 3.688 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])s1)C1CCCCC1 ZINC000903670304 981011242 /nfs/dbraw/zinc/01/12/42/981011242.db2.gz XOLBBVBVNQCFIZ-UHFFFAOYSA-N 0 1 281.421 3.989 20 0 CHADMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903895712 981025840 /nfs/dbraw/zinc/02/58/40/981025840.db2.gz JVNZWCONJLKMPW-TZMCWYRMSA-N 0 1 298.386 3.696 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595620064 981684990 /nfs/dbraw/zinc/68/49/90/981684990.db2.gz VPWLENYDYUEINC-QJPTWQEYSA-N 0 1 296.436 3.803 20 0 CHADMN COc1ccc([C@@H](C)[C@@H](C)NC(C)(C)C(F)F)cc1 ZINC000684413945 1118688158 /nfs/dbraw/zinc/68/81/58/1118688158.db2.gz MTKKDZPPGJSGSF-WDEREUQCSA-N 0 1 271.351 3.821 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H](CO)CC1 ZINC000293290404 1118731415 /nfs/dbraw/zinc/73/14/15/1118731415.db2.gz VYTOLNAOOPKZIN-VXGBXAGGSA-N 0 1 285.790 3.635 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@@H](CO)CC1 ZINC000293290404 1118731420 /nfs/dbraw/zinc/73/14/20/1118731420.db2.gz VYTOLNAOOPKZIN-VXGBXAGGSA-N 0 1 285.790 3.635 20 0 CHADMN CCC(O)(CC)CCN[C@H](C)c1csc(C(C)C)n1 ZINC000471798113 1118734880 /nfs/dbraw/zinc/73/48/80/1118734880.db2.gz KLFJQPDOIBHCHJ-GFCCVEGCSA-N 0 1 284.469 3.858 20 0 CHADMN CCCCC[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])c(C)o1 ZINC001595690477 982196764 /nfs/dbraw/zinc/19/67/64/982196764.db2.gz PEJOOSQFKPROTF-ZDUSSCGKSA-N 0 1 279.380 3.831 20 0 CHADMN CCCC[N@@H+](Cc1cncc(C(=O)[O-])c1)C1CCCCC1 ZINC001595747931 982416559 /nfs/dbraw/zinc/41/65/59/982416559.db2.gz NAZAKTUBIJWLBA-UHFFFAOYSA-N 0 1 290.407 3.715 20 0 CHADMN CCC[N@@H+](Cc1occc1C(=O)[O-])Cc1ccc(F)cc1 ZINC001595889017 982920436 /nfs/dbraw/zinc/92/04/36/982920436.db2.gz WHEDSQLUCWNUGV-UHFFFAOYSA-N 0 1 291.322 3.529 20 0 CHADMN C[C@@H](CC(C)(C)C)NCc1nc(C(C)(C)C)co1 ZINC000724430250 1119000818 /nfs/dbraw/zinc/00/08/18/1119000818.db2.gz UBWMBGBQUVWFJW-NSHDSACASA-N 0 1 252.402 3.886 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])c(C)c1)C1CCCCC1 ZINC001596357375 983827433 /nfs/dbraw/zinc/82/74/33/983827433.db2.gz AYCYIIAMLAAUON-UHFFFAOYSA-N 0 1 275.392 3.848 20 0 CHADMN CC[N@H+](c1ccc(NC2CC(CC(=O)[O-])C2)cc1)C(C)C ZINC001596385519 983911829 /nfs/dbraw/zinc/91/18/29/983911829.db2.gz GFZHJLANFXCGIY-UHFFFAOYSA-N 0 1 290.407 3.587 20 0 CHADMN CCN(Cc1csc(C(F)(F)F)c1)C[C@H]1CCCO1 ZINC000628152994 1119205913 /nfs/dbraw/zinc/20/59/13/1119205913.db2.gz WJXWXYQKJCXGPU-LLVKDONJSA-N 0 1 293.354 3.768 20 0 CHADMN COc1cccc(CN2CC[C@H]2C(C)C)c1OC(F)F ZINC000342862676 1119215189 /nfs/dbraw/zinc/21/51/89/1119215189.db2.gz ULIUNWIGELNZOO-LBPRGKRZSA-N 0 1 285.334 3.527 20 0 CHADMN COCc1csc(CNCc2cscc2Cl)c1 ZINC000657659943 1119229996 /nfs/dbraw/zinc/22/99/96/1119229996.db2.gz XYQFLGXDIGPKCI-UHFFFAOYSA-N 0 1 287.837 3.899 20 0 CHADMN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001594503447 985698562 /nfs/dbraw/zinc/69/85/62/985698562.db2.gz YRHIMRKYUHEQCO-PUXPGTEJSA-N 0 1 299.773 3.581 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)[C@H]1c1ccccc1 ZINC001594536646 986155031 /nfs/dbraw/zinc/15/50/31/986155031.db2.gz FFRHCKHSZHQHTA-QKCOKIONSA-N 0 1 297.354 3.570 20 0 CHADMN CCC(CC)c1cc(CN[C@@H](C)C2(OC)CCC2)on1 ZINC000657890837 1119609684 /nfs/dbraw/zinc/60/96/84/1119609684.db2.gz QOTMPBUNIDCFDD-LBPRGKRZSA-N 0 1 280.412 3.625 20 0 CHADMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC001594668080 986975054 /nfs/dbraw/zinc/97/50/54/986975054.db2.gz QHZKZJNQAJTERO-CYBMUJFWSA-N 0 1 281.355 3.504 20 0 CHADMN Cc1nccc(NC[C@@H]2CC2(Cl)Cl)c1Cl ZINC000309067505 1119632301 /nfs/dbraw/zinc/63/23/01/1119632301.db2.gz AGNNGEUFHCFKTH-ZETCQYMHSA-N 0 1 265.571 3.649 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@@H](C)c2csc(C)n2)C12CCCC2 ZINC000359978242 1125499360 /nfs/dbraw/zinc/49/93/60/1125499360.db2.gz YXSSQGFJLYDDAB-NILFDRSVSA-N 0 1 294.464 3.840 20 0 CHADMN CCc1[nH]c(C[N@H+]2CCC[C@@H]2CCC(C)C)cc1C(=O)[O-] ZINC001597386751 987607928 /nfs/dbraw/zinc/60/79/28/987607928.db2.gz OEVIMRJTDQCELD-CQSZACIVSA-N 0 1 292.423 3.676 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1ccc(Cl)c(Cl)c1 ZINC000658209733 1119702781 /nfs/dbraw/zinc/70/27/81/1119702781.db2.gz RUOXWRLJSGAGIS-QMMMGPOBSA-N 0 1 284.190 3.876 20 0 CHADMN CC[C@@H](Sc1nc(C2CC2)n[nH]1)c1ccccc1 ZINC000132363381 1125501020 /nfs/dbraw/zinc/50/10/20/1125501020.db2.gz QTEFTTQCSZZZHQ-GFCCVEGCSA-N 0 1 259.378 3.926 20 0 CHADMN CC[C@@H](Sc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000132363381 1125501026 /nfs/dbraw/zinc/50/10/26/1125501026.db2.gz QTEFTTQCSZZZHQ-GFCCVEGCSA-N 0 1 259.378 3.926 20 0 CHADMN CC(C)(C)C(F)(F)CN[C@@H]1CCc2cccnc2CC1 ZINC000658340207 1119728136 /nfs/dbraw/zinc/72/81/36/1119728136.db2.gz ZKNJAUJHIFWGTK-CYBMUJFWSA-N 0 1 282.378 3.600 20 0 CHADMN CCc1ccc(C2=CC[N@@H+](CC3(CC(=O)[O-])CC3)CC2)cc1 ZINC001597516271 988127360 /nfs/dbraw/zinc/12/73/60/988127360.db2.gz CCZSAVMOKAFFID-UHFFFAOYSA-N 0 1 299.414 3.593 20 0 CHADMN CC1(C)SC[C@@H]1N[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000375847728 1119769211 /nfs/dbraw/zinc/76/92/11/1119769211.db2.gz BKFJKJXADXVCRZ-QWHCGFSZSA-N 0 1 279.453 3.515 20 0 CHADMN CC(C)(C)[N@@H+](Cc1ccoc1C(=O)[O-])Cc1ccccc1 ZINC001589796905 988199593 /nfs/dbraw/zinc/19/95/93/988199593.db2.gz YTRRXZALLZHRCT-UHFFFAOYSA-N 0 1 287.359 3.779 20 0 CHADMN C[C@H](N[C@@H]1CS[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000414233226 1119950452 /nfs/dbraw/zinc/95/04/52/1119950452.db2.gz RFTQSADROBVPTR-CSMHCCOUSA-N 0 1 296.383 3.707 20 0 CHADMN c1c[nH]c([C@H]2CCCCN2CCC2CCCCC2)n1 ZINC000472576651 1119967601 /nfs/dbraw/zinc/96/76/01/1119967601.db2.gz ABKJOJKUWWUOJK-OAHLLOKOSA-N 0 1 261.413 3.907 20 0 CHADMN CC1(C)CCC(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])CC1 ZINC000311448665 1120082583 /nfs/dbraw/zinc/08/25/83/1120082583.db2.gz IPEFCQXEMGCGSG-CQSZACIVSA-N 0 1 267.413 3.532 20 0 CHADMN CCN(C)c1ccccc1CN[C@H](C)c1ccoc1 ZINC000765848560 1120127233 /nfs/dbraw/zinc/12/72/33/1120127233.db2.gz IMQMUTDWTWJNSR-CYBMUJFWSA-N 0 1 258.365 3.587 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1c(F)cccc1Cl)C1CC1 ZINC000378804857 1120133089 /nfs/dbraw/zinc/13/30/89/1120133089.db2.gz VZOPRAHEWSLSTM-ZANVPECISA-N 0 1 271.763 3.555 20 0 CHADMN CC(C)[C@@H]1C[N@@H+](Cc2ccsc2C(=O)[O-])[C@@H]1C(C)C ZINC001591096119 991685390 /nfs/dbraw/zinc/68/53/90/991685390.db2.gz ABIVBSCKLNYTGU-QWHCGFSZSA-N 0 1 281.421 3.559 20 0 CHADMN CC(C)[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2F)[C@@H]1C(C)C ZINC001591096169 991685710 /nfs/dbraw/zinc/68/57/10/991685710.db2.gz BCXBRIAVWCHPLI-GOEBONIOSA-N 0 1 293.382 3.636 20 0 CHADMN CC(C)[C@H]1[N@@H+](Cc2csc(C(=O)[O-])c2)CC12CC=CC2 ZINC001591100632 991725355 /nfs/dbraw/zinc/72/53/55/991725355.db2.gz XVJLVLJOVIMSHA-CQSZACIVSA-N 0 1 291.416 3.623 20 0 CHADMN CC(C)[C@@H]1[N@@H+](Cc2csc(C(=O)[O-])c2)CC12CC=CC2 ZINC001591100631 991725707 /nfs/dbraw/zinc/72/57/07/991725707.db2.gz XVJLVLJOVIMSHA-AWEZNQCLSA-N 0 1 291.416 3.623 20 0 CHADMN CC(C)C[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001591207738 992045100 /nfs/dbraw/zinc/04/51/00/992045100.db2.gz YRUMKQSKKPYBEX-CYBMUJFWSA-N 0 1 293.382 3.782 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1ccc(F)cc1C ZINC000073007578 1120207484 /nfs/dbraw/zinc/20/74/84/1120207484.db2.gz KMTSALWEAFPNDT-SNVBAGLBSA-N 0 1 262.328 3.590 20 0 CHADMN CC(C)CC[C@H]1CCCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC001591227374 992098627 /nfs/dbraw/zinc/09/86/27/992098627.db2.gz DZIRTVRPWXVFBL-CQSZACIVSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)CCCC[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC001591236552 992117678 /nfs/dbraw/zinc/11/76/78/992117678.db2.gz KDKOAMWIXPVUCM-UHFFFAOYSA-N 0 1 275.392 3.569 20 0 CHADMN CC(C)CC[N@@H+](Cc1cncc(C(=O)[O-])c1)C1CCCC1 ZINC001591245234 992133829 /nfs/dbraw/zinc/13/38/29/992133829.db2.gz HSQACFHMPHESEO-UHFFFAOYSA-N 0 1 290.407 3.571 20 0 CHADMN C[N@@H+](Cc1ccoc1C(=O)[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001598532301 992796521 /nfs/dbraw/zinc/79/65/21/992796521.db2.gz FLKATESYQGIJQE-QWHCGFSZSA-N 0 1 279.380 3.624 20 0 CHADMN C[N@@H+](Cc1ccsc1)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001598534545 992834707 /nfs/dbraw/zinc/83/47/07/992834707.db2.gz ZGWRSTAMWMMFKA-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN C[C@@H]([NH2+][C@@H](C)c1ccc(C(=O)[O-])o1)c1ccc(F)cc1F ZINC001593354588 994994112 /nfs/dbraw/zinc/99/41/12/994994112.db2.gz UIIXLWOAXPTXBK-BDAKNGLRSA-N 0 1 295.285 3.668 20 0 CHADMN CC(C)[C@H](C)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000191577680 1120524791 /nfs/dbraw/zinc/52/47/91/1120524791.db2.gz PWBIAYQFCXQLMC-NWDGAFQWSA-N 0 1 265.401 3.812 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cncs1 ZINC000093438907 1120590596 /nfs/dbraw/zinc/59/05/96/1120590596.db2.gz DVHASWFFDVFMHD-OAHLLOKOSA-N 0 1 258.390 3.653 20 0 CHADMN C[C@@H]1C[C@@H](c2nc3ccc(Cl)cc3[nH]2)C[C@H](C)O1 ZINC000724358710 1120604138 /nfs/dbraw/zinc/60/41/38/1120604138.db2.gz UKXKJPDSSJDSOU-ILWJIGKKSA-N 0 1 264.756 3.887 20 0 CHADMN CC1(C)C[C@H](c2ccccc2)[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC001593863537 996663362 /nfs/dbraw/zinc/66/33/62/996663362.db2.gz HXSLNXHJTGBPQZ-MRXNPFEDSA-N 0 1 299.370 3.951 20 0 CHADMN CC1(C)CCC(C)(C)[N@@H+](C[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001593874653 996691792 /nfs/dbraw/zinc/69/17/92/996691792.db2.gz XLEAMSWGFIZGHJ-ZIAGYGMSSA-N 0 1 281.440 3.778 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1nc(-c2cccs2)no1 ZINC000661234500 1120742501 /nfs/dbraw/zinc/74/25/01/1120742501.db2.gz NAHSBWFDHVVCES-JTQLQIEISA-N 0 1 279.409 3.712 20 0 CHADMN Cc1c(Cl)ccc(CN2CC[C@H]([C@@H](C)O)C2)c1Cl ZINC000893471569 1120784975 /nfs/dbraw/zinc/78/49/75/1120784975.db2.gz DGIPTMZBVHHDKN-MNOVXSKESA-N 0 1 288.218 3.505 20 0 CHADMN Clc1cccc(Cl)c1N=NCc1ccccn1 ZINC000254865417 1120911374 /nfs/dbraw/zinc/91/13/74/1120911374.db2.gz LKFANOJAMSVZNI-UHFFFAOYSA-N 0 1 266.131 3.834 20 0 CHADMN CC1=C(C)C[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)CC1 ZINC001594109673 998195602 /nfs/dbraw/zinc/19/56/02/998195602.db2.gz JIDCGZWOOJEERV-CQSZACIVSA-N 0 1 279.767 3.508 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCCC[C@H]1c1cc[nH]n1 ZINC000660536035 1120991123 /nfs/dbraw/zinc/99/11/23/1120991123.db2.gz NJPWYCJWGFNOKW-AAEUAGOBSA-N 0 1 271.355 3.618 20 0 CHADMN CC(C)CN(C)Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000282502580 1121040220 /nfs/dbraw/zinc/04/02/20/1121040220.db2.gz NZMLBDFFZIBZGE-UHFFFAOYSA-N 0 1 299.440 3.578 20 0 CHADMN CC[C@@H](C)CN(C)Cc1csc(-c2ccoc2)n1 ZINC000171950074 1121135284 /nfs/dbraw/zinc/13/52/84/1121135284.db2.gz VGBBEGQNSDPUHR-LLVKDONJSA-N 0 1 264.394 3.881 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCCCC(=O)[O-] ZINC001594270099 999043786 /nfs/dbraw/zinc/04/37/86/999043786.db2.gz PYZKDMFKHNNTJN-IIAWOOMASA-N 0 1 275.392 3.508 20 0 CHADMN CC[C@H](NCc1cncs1)c1ccccc1F ZINC000168902181 1121170468 /nfs/dbraw/zinc/17/04/68/1121170468.db2.gz DZAWGWOFLKKTOT-ZDUSSCGKSA-N 0 1 250.342 3.523 20 0 CHADMN CCN(Cc1ccc(C(F)(F)F)s1)C[C@@H]1CCCO1 ZINC000432739365 1121305872 /nfs/dbraw/zinc/30/58/72/1121305872.db2.gz XUGRRZFZWRYVJK-JTQLQIEISA-N 0 1 293.354 3.768 20 0 CHADMN Oc1cc(F)c(Cl)cc1-c1cnc(C2CC2)o1 ZINC000707639938 1121462626 /nfs/dbraw/zinc/46/26/26/1121462626.db2.gz TVKBHCQMIOUUIM-UHFFFAOYSA-N 0 1 253.660 3.717 20 0 CHADMN Fc1ccc(CN2CCCC(F)(F)CC2)cc1F ZINC000625764882 1121491217 /nfs/dbraw/zinc/49/12/17/1121491217.db2.gz HEUJZRXEYZGYCQ-UHFFFAOYSA-N 0 1 261.262 3.586 20 0 CHADMN CCCC[C@H](C(=O)OC)N1CCC[C@H]1c1cccs1 ZINC000432981030 1121501860 /nfs/dbraw/zinc/50/18/60/1121501860.db2.gz ZMDBNMVSBWQSJY-QWHCGFSZSA-N 0 1 281.421 3.617 20 0 CHADMN OCc1cc(Nc2ccc(Cl)c(Cl)c2)ccn1 ZINC001176540651 1121645470 /nfs/dbraw/zinc/64/54/70/1121645470.db2.gz FNFCJTOYJQHUNQ-UHFFFAOYSA-N 0 1 269.131 3.624 20 0 CHADMN F[C@H]1CCCN(C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC001176808288 1121694362 /nfs/dbraw/zinc/69/43/62/1121694362.db2.gz HHBMDPIYZXAINK-GJZGRUSLSA-N 0 1 269.404 3.692 20 0 CHADMN OC[C@@H](CC1CCC1)NCc1c(Cl)cccc1Cl ZINC001178778640 1121819333 /nfs/dbraw/zinc/81/93/33/1121819333.db2.gz SCQGZZVGUJJYNB-LLVKDONJSA-N 0 1 288.218 3.634 20 0 CHADMN O=C(CCC1CCC1)Nc1cc(Cl)c(O)cc1F ZINC000345649856 1121904101 /nfs/dbraw/zinc/90/41/01/1121904101.db2.gz IBNYYNCUWPVLPT-UHFFFAOYSA-N 0 1 271.719 3.704 20 0 CHADMN CC[C@H](C)N1CC=C(c2c(F)cccc2F)CC1 ZINC000501058199 1121948257 /nfs/dbraw/zinc/94/82/57/1121948257.db2.gz YZQMBWACIUSHJI-NSHDSACASA-N 0 1 251.320 3.852 20 0 CHADMN Clc1ccc2c(c1)CC[C@@H]2NCc1ccns1 ZINC000404267792 1121998260 /nfs/dbraw/zinc/99/82/60/1121998260.db2.gz INYAIMRVQRTNOO-ZDUSSCGKSA-N 0 1 264.781 3.574 20 0 CHADMN CC(C)n1nccc1CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420946412 1122049614 /nfs/dbraw/zinc/04/96/14/1122049614.db2.gz LUEOXBQLZHNOIR-LBPRGKRZSA-N 0 1 289.345 3.628 20 0 CHADMN CSC[C@H]1CCCN(Cc2c(F)cc(C)cc2F)C1 ZINC001182043867 1122105987 /nfs/dbraw/zinc/10/59/87/1122105987.db2.gz PUDQLUVOSKIUOA-LBPRGKRZSA-N 0 1 285.403 3.848 20 0 CHADMN COC1(C)CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000271786154 1122175766 /nfs/dbraw/zinc/17/57/66/1122175766.db2.gz TWKXYZIAOAGOJH-NSHDSACASA-N 0 1 269.335 3.527 20 0 CHADMN C[C@H](NCCc1cccc(Cl)c1Cl)c1ccon1 ZINC000434481547 1122372988 /nfs/dbraw/zinc/37/29/88/1122372988.db2.gz HBKFIRZMKQLZBU-VIFPVBQESA-N 0 1 285.174 3.875 20 0 CHADMN CC1(F)CCN(Cc2cc(O)c(Cl)c(F)c2F)CC1 ZINC001250386915 1122549281 /nfs/dbraw/zinc/54/92/81/1122549281.db2.gz CJYVNAQILQHSLG-UHFFFAOYSA-N 0 1 293.716 3.648 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3c2cccc3C)sn1 ZINC000638544817 1122726262 /nfs/dbraw/zinc/72/62/62/1122726262.db2.gz LEPQPKLXCGADLU-OAHLLOKOSA-N 0 1 258.390 3.537 20 0 CHADMN CN(Cc1cccn1C)Cc1ccc(Cl)c(Cl)c1 ZINC000506746206 1122821502 /nfs/dbraw/zinc/82/15/02/1122821502.db2.gz FPPMPTSFDUXQCU-UHFFFAOYSA-N 0 1 283.202 3.964 20 0 CHADMN CSC[C@@H]1CCCN(Cc2cc(C)cnc2Cl)C1 ZINC000894599419 1122879825 /nfs/dbraw/zinc/87/98/25/1122879825.db2.gz WGNLJRBJHWNEPQ-GFCCVEGCSA-N 0 1 284.856 3.618 20 0 CHADMN C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC1CC(F)(F)C1 ZINC000519579105 1122906747 /nfs/dbraw/zinc/90/67/47/1122906747.db2.gz YCOMLSCQOVWAQB-SNVBAGLBSA-N 0 1 269.310 3.790 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)[C@H]1C ZINC000519700891 1123015880 /nfs/dbraw/zinc/01/58/80/1123015880.db2.gz FDHVAYDGLRNCTH-QWRGUYRKSA-N 0 1 281.783 3.659 20 0 CHADMN CC[C@H](F)CN1CCSC[C@H]1c1ccccc1 ZINC000440699367 1123029448 /nfs/dbraw/zinc/02/94/48/1123029448.db2.gz SNFDHPLEFWOQEE-KBPBESRZSA-N 0 1 253.386 3.525 20 0 CHADMN COc1ccc(C)cc1CNCc1cc(C)sc1C ZINC001199831007 1123042915 /nfs/dbraw/zinc/04/29/15/1123042915.db2.gz VSTXBSNXDVLZIC-UHFFFAOYSA-N 0 1 275.417 3.972 20 0 CHADMN CSCCCN1CCO[C@](C)(c2ccc(Cl)cc2)C1 ZINC001201692209 1123142509 /nfs/dbraw/zinc/14/25/09/1123142509.db2.gz KIHPOPCXLHQXLT-HNNXBMFYSA-N 0 1 299.867 3.641 20 0 CHADMN C[C@@H]1CCN(Cc2cnc(C(C)(C)C)s2)CCS1 ZINC000190693744 1123195763 /nfs/dbraw/zinc/19/57/63/1123195763.db2.gz AACJURZQHUVAOF-LLVKDONJSA-N 0 1 284.494 3.768 20 0 CHADMN C[C@@H](NC1CC(C)(F)C1)c1nc2c(s1)CCCC2 ZINC000334520798 1123241273 /nfs/dbraw/zinc/24/12/73/1123241273.db2.gz SOAPGQQMZDJIFY-NAUIOFCNSA-N 0 1 268.401 3.563 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](C)c2cccc(Cl)c2)cn1 ZINC000427821993 1123252168 /nfs/dbraw/zinc/25/21/68/1123252168.db2.gz QHNWSNFIOSXLII-NEPJUHHUSA-N 0 1 275.783 3.850 20 0 CHADMN C[C@@H](CSC(C)(C)C)N[C@@H](C)c1cscn1 ZINC000850511510 1123278392 /nfs/dbraw/zinc/27/83/92/1123278392.db2.gz GWHLJESBTOFMJB-UWVGGRQHSA-N 0 1 258.456 3.714 20 0 CHADMN C[C@@H](NCC1=CCCC1)c1cc(Br)ncc1F ZINC000850558152 1123290654 /nfs/dbraw/zinc/29/06/54/1123290654.db2.gz UOSWNBUGLRBGRF-SECBINFHSA-N 0 1 299.187 3.744 20 0 CHADMN Clc1cnn(CN(CC2CCCCC2)C2CC2)c1 ZINC000110201458 1123381752 /nfs/dbraw/zinc/38/17/52/1123381752.db2.gz JGWCVGFZQQIIGS-UHFFFAOYSA-N 0 1 267.804 3.539 20 0 CHADMN Cc1nc(C)c(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)o1 ZINC000643402972 1123401899 /nfs/dbraw/zinc/40/18/99/1123401899.db2.gz BJAXAWLOMGJLSD-NEPJUHHUSA-N 0 1 290.329 3.844 20 0 CHADMN Fc1ccc([C@@H]2CCN2CC2CC(F)(F)C2)cc1 ZINC000852466469 1123405413 /nfs/dbraw/zinc/40/54/13/1123405413.db2.gz DDSBFWTZNNBPHD-ZDUSSCGKSA-N 0 1 255.283 3.618 20 0 CHADMN C[C@H]1CC[C@@H](C[NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000328156908 1123409962 /nfs/dbraw/zinc/40/99/62/1123409962.db2.gz UKOQCXJNXUDQHJ-WDEREUQCSA-N 0 1 253.773 3.571 20 0 CHADMN CCN(CCc1ccccc1)Cc1nc(C)sc1C ZINC000443625087 1123449519 /nfs/dbraw/zinc/44/95/19/1123449519.db2.gz OCMFDLFZHAJSSP-UHFFFAOYSA-N 0 1 274.433 3.825 20 0 CHADMN CC[C@H](C)C(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000111988946 1123472843 /nfs/dbraw/zinc/47/28/43/1123472843.db2.gz METGLFZIXQYMQD-IUCAKERBSA-N 0 1 280.755 3.867 20 0 CHADMN CC(C)C[C@H](C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474441252 1123531191 /nfs/dbraw/zinc/53/11/91/1123531191.db2.gz ZGNFKILMNVGRLL-QMMMGPOBSA-N 0 1 273.735 3.805 20 0 CHADMN CCCN(CCc1cccs1)Cc1cc(Cl)n(C)n1 ZINC000859253834 1123692737 /nfs/dbraw/zinc/69/27/37/1123692737.db2.gz GZUINQWLGFCXDQ-UHFFFAOYSA-N 0 1 297.855 3.590 20 0 CHADMN CC(C)N(CCOCC(F)(F)F)Cc1ccccc1F ZINC000346608833 1123700312 /nfs/dbraw/zinc/70/03/12/1123700312.db2.gz NCLMVYZDHCWAIJ-UHFFFAOYSA-N 0 1 293.304 3.615 20 0 CHADMN CCc1cccc(Cl)c1CN(C)C[C@H]1CCCO1 ZINC000475091898 1123793083 /nfs/dbraw/zinc/79/30/83/1123793083.db2.gz KJJDICFPTWAFNO-CYBMUJFWSA-N 0 1 267.800 3.513 20 0 CHADMN CCc1nsc(Sc2nc3ccc(Cl)cc3[nH]2)n1 ZINC000301933824 1123944683 /nfs/dbraw/zinc/94/46/83/1123944683.db2.gz QXTSBYRHWIJPIJ-UHFFFAOYSA-N 0 1 296.808 3.781 20 0 CHADMN CN(CC[C@H]1CCCCO1)Cc1cc(Cl)ccc1F ZINC000444700866 1124055363 /nfs/dbraw/zinc/05/53/63/1124055363.db2.gz GEUKBQAHZKPCLG-CQSZACIVSA-N 0 1 285.790 3.870 20 0 CHADMN Clc1cnccc1CN1CCCC2(CCCC2)C1 ZINC000445862093 1124104867 /nfs/dbraw/zinc/10/48/67/1124104867.db2.gz FQWILGXIRVENBR-UHFFFAOYSA-N 0 1 264.800 3.891 20 0 CHADMN CC(C)[C@H](CC(F)(F)F)NCc1nccn1C(C)C ZINC000445881857 1124104970 /nfs/dbraw/zinc/10/49/70/1124104970.db2.gz WNJZTWDYTGPXRE-NSHDSACASA-N 0 1 277.334 3.531 20 0 CHADMN C[C@H]1CN(Cc2cccnc2C(F)(F)F)CC[C@@H]1C ZINC000528434722 1124665055 /nfs/dbraw/zinc/66/50/55/1124665055.db2.gz XOSWHAXECHHHPD-QWRGUYRKSA-N 0 1 272.314 3.578 20 0 CHADMN Cc1cc(CCNCc2cc(Cl)sc2Cl)on1 ZINC000449316982 1124692290 /nfs/dbraw/zinc/69/22/90/1124692290.db2.gz AUCOPILQPBFFLC-UHFFFAOYSA-N 0 1 291.203 3.684 20 0 CHADMN CSC[C@H]1CCCN(Cc2cc(C(F)(F)F)co2)C1 ZINC000878646751 1125169504 /nfs/dbraw/zinc/16/95/04/1125169504.db2.gz HKQLRWQWALFECI-JTQLQIEISA-N 0 1 293.354 3.873 20 0 CHADMN CCCCN(CC(=O)Nc1ccc(Cl)cc1)C1CC1 ZINC000531342531 1125211050 /nfs/dbraw/zinc/21/10/50/1125211050.db2.gz ORZFBGZZWKLSLO-UHFFFAOYSA-N 0 1 280.799 3.543 20 0 CHADMN COC(C)(C)CN(C)Cc1nc(-c2ccsc2)oc1C ZINC000532340030 1125249689 /nfs/dbraw/zinc/24/96/89/1125249689.db2.gz GJHBEFWJDKQLGU-UHFFFAOYSA-N 0 1 294.420 3.568 20 0 CHADMN Clc1ccc(-c2noc(CNCC3CC3)n2)cc1Cl ZINC000132999501 1125429338 /nfs/dbraw/zinc/42/93/38/1125429338.db2.gz KUEZBZVWCXOWNU-UHFFFAOYSA-N 0 1 298.173 3.543 20 0 CHADMN Cc1cnc(CN2CCC[C@@H](C)CC2)cc1Br ZINC001143651390 1131521164 /nfs/dbraw/zinc/52/11/64/1131521164.db2.gz YNUYBWQFNKEKNG-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1cnc(SCC)nc1 ZINC001138654457 1131533034 /nfs/dbraw/zinc/53/30/34/1131533034.db2.gz BNLDUMFREBYEDP-CQSZACIVSA-N 0 1 279.453 3.743 20 0 CHADMN COc1cc(C)c(CN2CCC[C@@H](F)C2)c(C)c1C ZINC001138729523 1131542934 /nfs/dbraw/zinc/54/29/34/1131542934.db2.gz SPGJOUNEOIKQQS-CQSZACIVSA-N 0 1 265.372 3.554 20 0 CHADMN Fc1ccc(CN2CCC[C@]3(CC3(F)F)C2)cc1F ZINC000844438296 1131563808 /nfs/dbraw/zinc/56/38/08/1131563808.db2.gz WYYYZUIKRNGLQW-ZDUSSCGKSA-N 0 1 273.273 3.586 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H]2CF)cc1CC ZINC001139625417 1131625107 /nfs/dbraw/zinc/62/51/07/1131625107.db2.gz FXSMXDQEGWECDZ-OAHLLOKOSA-N 0 1 265.372 3.582 20 0 CHADMN Clc1cnccc1CN1CCC12CCCCC2 ZINC001139845472 1131641767 /nfs/dbraw/zinc/64/17/67/1131641767.db2.gz DUCLXMREOFITSS-UHFFFAOYSA-N 0 1 250.773 3.644 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1CN1CCCO[C@H](C)C1 ZINC001139884118 1131646112 /nfs/dbraw/zinc/64/61/12/1131646112.db2.gz WEPAQFKSMOOONG-GFCCVEGCSA-N 0 1 287.325 3.625 20 0 CHADMN CCCCC1CCN(Cc2ccnc(SC)n2)CC1 ZINC001140034266 1131658885 /nfs/dbraw/zinc/65/88/85/1131658885.db2.gz HWHUVXSLGBJBJQ-UHFFFAOYSA-N 0 1 279.453 3.601 20 0 CHADMN Cc1ccc(Cl)nc1CN1CCC2(CCC2)CC1 ZINC001140442303 1131738780 /nfs/dbraw/zinc/73/87/80/1131738780.db2.gz CAAURWOZZLSSBB-UHFFFAOYSA-N 0 1 264.800 3.810 20 0 CHADMN Cc1c(Cl)cc(NC(=O)c2ccn(C)c2)c(O)c1Cl ZINC001147011396 1131804694 /nfs/dbraw/zinc/80/46/94/1131804694.db2.gz FVWFSBYZTNCVMW-UHFFFAOYSA-N 0 1 299.157 3.598 20 0 CHADMN CN1CCN(Cc2cc(Cl)sc2Cl)CC1(C)C ZINC001140589477 1131813884 /nfs/dbraw/zinc/81/38/84/1131813884.db2.gz MEILNBVWTPPQSR-UHFFFAOYSA-N 0 1 293.263 3.581 20 0 CHADMN Cc1ccc(Br)cc1CN1CC2CC(C2)C1 ZINC001140650476 1131846096 /nfs/dbraw/zinc/84/60/96/1131846096.db2.gz QDKVFUKHTZDMAL-UHFFFAOYSA-N 0 1 280.209 3.599 20 0 CHADMN COc1ccc(CN(C)C(C)(C)C)c(Br)c1 ZINC001140761395 1131910206 /nfs/dbraw/zinc/91/02/06/1131910206.db2.gz MNZCIRZDAUNHKZ-UHFFFAOYSA-N 0 1 286.213 3.688 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2ccns2)c(C)c1 ZINC000715951420 1131997945 /nfs/dbraw/zinc/99/79/45/1131997945.db2.gz DKYVQVUGCIIEEG-ZDUSSCGKSA-N 0 1 260.406 3.919 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](C(F)F)C2)c(F)c1 ZINC001141196896 1132041517 /nfs/dbraw/zinc/04/15/17/1132041517.db2.gz XAWSKNAYJRYUAB-GFCCVEGCSA-N 0 1 257.299 3.611 20 0 CHADMN Cc1ncc(Br)cc1CN1CCC2(CCC2)C1 ZINC001248781423 1132105966 /nfs/dbraw/zinc/10/59/66/1132105966.db2.gz JVQIZULOORVKDP-UHFFFAOYSA-N 0 1 295.224 3.529 20 0 CHADMN CC(=O)[C@@H]1CCCN1[C@H](C)CSc1ccc(Cl)cc1 ZINC001172885467 1132357592 /nfs/dbraw/zinc/35/75/92/1132357592.db2.gz OVOFEIHEPIFZPQ-ABAIWWIYSA-N 0 1 297.851 3.874 20 0 CHADMN CC(C)c1ccccc1CN1CCCC(=O)[C@@H](C)C1 ZINC001231873459 1132383899 /nfs/dbraw/zinc/38/38/99/1132383899.db2.gz AFILXAYRYKDHSO-AWEZNQCLSA-N 0 1 259.393 3.611 20 0 CHADMN C[C@@H]1CC(=O)CCN1C1CCC2(CCCCC2)CC1 ZINC001173118629 1132400431 /nfs/dbraw/zinc/40/04/31/1132400431.db2.gz ZMVPTQCOUUXCSD-CQSZACIVSA-N 0 1 263.425 3.933 20 0 CHADMN Brc1[nH]c2ccccc2c1CN1CCCCC1 ZINC001232139395 1132427116 /nfs/dbraw/zinc/42/71/16/1132427116.db2.gz FOGFDRGJKCPFIK-UHFFFAOYSA-N 0 1 293.208 3.916 20 0 CHADMN Cc1scnc1CN1CCCC2(CCCC2)C1 ZINC001232209952 1132435020 /nfs/dbraw/zinc/43/50/20/1132435020.db2.gz JESOUYKNUVDQJU-UHFFFAOYSA-N 0 1 250.411 3.608 20 0 CHADMN CCCN(Cc1c(Cl)nccc1OC)CC(C)C ZINC001232160048 1132430560 /nfs/dbraw/zinc/43/05/60/1132430560.db2.gz RBKKBDUBMADMTD-UHFFFAOYSA-N 0 1 270.804 3.612 20 0 CHADMN Cc1cnc(CN(C)CC2CCCC2)c(Br)c1 ZINC001232177521 1132431358 /nfs/dbraw/zinc/43/13/58/1132431358.db2.gz VGJUVQTUQABIFY-UHFFFAOYSA-N 0 1 297.240 3.775 20 0 CHADMN CCCN(Cc1ncc(C)cc1Br)CC1CC1 ZINC001232174397 1132431372 /nfs/dbraw/zinc/43/13/72/1132431372.db2.gz XUSAFFLZVAGEPQ-UHFFFAOYSA-N 0 1 297.240 3.775 20 0 CHADMN Cc1nc(Br)ccc1CN1CCC[C@@H](C)[C@@H]1C ZINC001232322511 1132454340 /nfs/dbraw/zinc/45/43/40/1132454340.db2.gz KDYGWFVISYSAPX-PWSUYJOCSA-N 0 1 297.240 3.773 20 0 CHADMN CN(Cc1ccc(C(F)(F)F)o1)Cc1ccccc1 ZINC001232443327 1132471505 /nfs/dbraw/zinc/47/15/05/1132471505.db2.gz VQWKWDWZBUPVIQ-UHFFFAOYSA-N 0 1 269.266 3.930 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(O)cc(Br)c1 ZINC001232998982 1132560978 /nfs/dbraw/zinc/56/09/78/1132560978.db2.gz MARLQHRTEQDRSH-ZDUSSCGKSA-N 0 1 298.224 3.919 20 0 CHADMN CCCCC[N@@H+](C)Cc1cnc2cccc(Cl)n12 ZINC001233355881 1132609187 /nfs/dbraw/zinc/60/91/87/1132609187.db2.gz QQFGXRWIPNRLSD-UHFFFAOYSA-N 0 1 265.788 3.610 20 0 CHADMN CSc1cccc(Cl)c1CN1CCC[C@@]2(CCO2)C1 ZINC001233352798 1132609913 /nfs/dbraw/zinc/60/99/13/1132609913.db2.gz UFLBNKYCEFJJAM-OAHLLOKOSA-N 0 1 297.851 3.817 20 0 CHADMN COc1ccc(CN2CC[C@H](C)C[C@H]2C)c(Cl)c1O ZINC001233400701 1132615630 /nfs/dbraw/zinc/61/56/30/1132615630.db2.gz UJZITSFHTILFEN-WDEREUQCSA-N 0 1 283.799 3.675 20 0 CHADMN C[C@@H]1CCCN(Cc2c(F)ccc(O)c2F)C[C@H]1C ZINC001233393909 1132615637 /nfs/dbraw/zinc/61/56/37/1132615637.db2.gz QWPCOPJSKDJUKN-GHMZBOCLSA-N 0 1 269.335 3.538 20 0 CHADMN Clc1ncnc(Cl)c1CN1CCC[C@H]2CCC[C@@H]21 ZINC001233410227 1132618784 /nfs/dbraw/zinc/61/87/84/1132618784.db2.gz DWMMELBXQZOINK-KOLCDFICSA-N 0 1 286.206 3.548 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)CC[C@H]1O ZINC001203804305 1133370696 /nfs/dbraw/zinc/37/06/96/1133370696.db2.gz OYIGRGDAQZHKIN-QMTHXVAHSA-N 0 1 288.218 3.586 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)CC[C@H]1O ZINC001203804305 1133370701 /nfs/dbraw/zinc/37/07/01/1133370701.db2.gz OYIGRGDAQZHKIN-QMTHXVAHSA-N 0 1 288.218 3.586 20 0 CHADMN CC(C)(C)C1CCN(Cc2c(Cl)ccnc2N)CC1 ZINC001205164217 1133539480 /nfs/dbraw/zinc/53/94/80/1133539480.db2.gz ARTUQORURSHJQE-UHFFFAOYSA-N 0 1 281.831 3.575 20 0 CHADMN CN(C)c1ccnc(-c2ccc(F)c(F)c2Cl)c1 ZINC001205623306 1133596161 /nfs/dbraw/zinc/59/61/61/1133596161.db2.gz HUYZBUVPDZNQMK-UHFFFAOYSA-N 0 1 268.694 3.746 20 0 CHADMN CCc1c(Cl)cc(Nc2cc[nH+]c(N)c2)c([O-])c1Cl ZINC001206568141 1133719587 /nfs/dbraw/zinc/71/95/87/1133719587.db2.gz JNIPOUKUSSOLRW-UHFFFAOYSA-N 0 1 298.173 3.982 20 0 CHADMN Cc1ccc(CCCN(C)Cc2cnc(Cl)s2)o1 ZINC001207944001 1133869190 /nfs/dbraw/zinc/86/91/90/1133869190.db2.gz MYCJOUGVCZQYNG-UHFFFAOYSA-N 0 1 284.812 3.763 20 0 CHADMN COc1cc(C)c(Nc2ccc(Cl)c(O)c2F)cn1 ZINC001214796185 1134572948 /nfs/dbraw/zinc/57/29/48/1134572948.db2.gz IFEMJMDJIMXEJS-UHFFFAOYSA-N 0 1 282.702 3.640 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccc(Cl)nc2)c1F ZINC001214791074 1134574012 /nfs/dbraw/zinc/57/40/12/1134574012.db2.gz JWSKJEXVKMVBHG-UHFFFAOYSA-N 0 1 273.094 3.977 20 0 CHADMN CCc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccnc(N)c2)o1 ZINC000331935916 1125510335 /nfs/dbraw/zinc/51/03/35/1125510335.db2.gz QKQOPZDEOYTYFD-XJKSGUPXSA-N 0 1 299.418 3.623 20 0 CHADMN Cc1csc(C(C)(C)NCc2ccc(C)s2)n1 ZINC000116382157 1125510498 /nfs/dbraw/zinc/51/04/98/1125510498.db2.gz UXOPPFYCVMAGAA-UHFFFAOYSA-N 0 1 266.435 3.846 20 0 CHADMN C[C@H](NCc1ccc(F)c(Cl)c1)c1cccnc1 ZINC000053150151 1125519769 /nfs/dbraw/zinc/51/97/69/1125519769.db2.gz MFFDPRLOURYKOQ-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN C[C@H]1SCCN(Cc2ccccn2)[C@@H]1c1ccccc1 ZINC000118534544 1125522756 /nfs/dbraw/zinc/52/27/56/1125522756.db2.gz PLXOKKNUNLVAJG-PBHICJAKSA-N 0 1 284.428 3.760 20 0 CHADMN CN(Cc1cccc(Cl)c1)[C@H]1CCCc2c1cnn2C ZINC000135566001 1125527253 /nfs/dbraw/zinc/52/72/53/1125527253.db2.gz QORKZXRVBJTBNR-HNNXBMFYSA-N 0 1 289.810 3.583 20 0 CHADMN C[C@@H]1SCCN(Cc2cccnc2)[C@@H]1c1ccccc1 ZINC000118534553 1125523185 /nfs/dbraw/zinc/52/31/85/1125523185.db2.gz JNDWEPCEUPJGHM-YOEHRIQHSA-N 0 1 284.428 3.760 20 0 CHADMN C[C@H]1SCCN(Cc2cccnc2)[C@H]1c1ccccc1 ZINC000118534548 1125523673 /nfs/dbraw/zinc/52/36/73/1125523673.db2.gz JNDWEPCEUPJGHM-RHSMWYFYSA-N 0 1 284.428 3.760 20 0 CHADMN CC[C@H](NCc1ccc(C)cc1SC)c1cnn(C)c1 ZINC000119266771 1125530577 /nfs/dbraw/zinc/53/05/77/1125530577.db2.gz RLKMURODHXYTHR-HNNXBMFYSA-N 0 1 289.448 3.691 20 0 CHADMN O=C(Nc1nc2cc(Cl)c(F)cc2[nH]1)[C@H]1CC=CCC1 ZINC000622212837 1129238130 /nfs/dbraw/zinc/23/81/30/1129238130.db2.gz HLQBLDCVCXLZSQ-QMMMGPOBSA-N 0 1 293.729 3.650 20 0 CHADMN CCCc1noc(CN(C)C2CCCCCCC2)n1 ZINC000134120389 1125532506 /nfs/dbraw/zinc/53/25/06/1125532506.db2.gz MFOPISFTXVBMHN-UHFFFAOYSA-N 0 1 265.401 3.567 20 0 CHADMN COc1cccc(CNCc2cccc(Cl)c2OC)c1 ZINC000897483243 1125535755 /nfs/dbraw/zinc/53/57/55/1125535755.db2.gz MYNUVSCIMXRGJG-UHFFFAOYSA-N 0 1 291.778 3.647 20 0 CHADMN CCOCC1CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC000093393955 1125536934 /nfs/dbraw/zinc/53/69/34/1125536934.db2.gz ANUIUURCDGHTQR-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN COC1CCN(Cc2cnc(C3CCCCC3)s2)CC1 ZINC000536631872 1125537749 /nfs/dbraw/zinc/53/77/49/1125537749.db2.gz QSTRDZLRTXWUJS-UHFFFAOYSA-N 0 1 294.464 3.802 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1F ZINC000236476244 1125540163 /nfs/dbraw/zinc/54/01/63/1125540163.db2.gz QAUFZTRMUHWOHB-BBRMVZONSA-N 0 1 291.366 3.679 20 0 CHADMN Fc1cc(CNCc2ccsc2)ccc1Cl ZINC000059639298 1125543448 /nfs/dbraw/zinc/54/34/48/1125543448.db2.gz ABMCBBKHRIBCQK-UHFFFAOYSA-N 0 1 255.745 3.830 20 0 CHADMN CCCCN(C)[C@H](C)c1nnc(-c2cccs2)o1 ZINC000060992324 1125545605 /nfs/dbraw/zinc/54/56/05/1125545605.db2.gz IQPXHHKDOOIOME-SNVBAGLBSA-N 0 1 265.382 3.591 20 0 CHADMN C[C@H](NC[C@H](c1c(F)cccc1F)N(C)C)c1ccco1 ZINC000120750933 1125550168 /nfs/dbraw/zinc/55/01/68/1125550168.db2.gz KEVHUEWLKKMVLJ-SMDDNHRTSA-N 0 1 294.345 3.511 20 0 CHADMN C[C@H](c1c(F)cccc1F)N(C)CCc1ccncc1 ZINC000194425612 1125554079 /nfs/dbraw/zinc/55/40/79/1125554079.db2.gz UGQQWHOAPRMVHU-GFCCVEGCSA-N 0 1 276.330 3.595 20 0 CHADMN CO[C@@H](C)C1CN(Cc2cc(Cl)ccc2SC)C1 ZINC001238681764 1131230838 /nfs/dbraw/zinc/23/08/38/1131230838.db2.gz TWNFZWDKELEBPR-JTQLQIEISA-N 0 1 285.840 3.529 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(C(F)(F)F)cc2)nn1 ZINC000396635700 1125566142 /nfs/dbraw/zinc/56/61/42/1125566142.db2.gz ZKDHKONEFCQLFW-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cccc3cc[nH]c31)CCO2 ZINC000237721369 1125566894 /nfs/dbraw/zinc/56/68/94/1125566894.db2.gz AMJPECHOQPGWHY-INIZCTEOSA-N 0 1 296.345 3.920 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@@H](c3ccccc3)CC2)o1 ZINC000245406235 1125571639 /nfs/dbraw/zinc/57/16/39/1125571639.db2.gz WNDVVJVHGGNMQS-XJKSGUPXSA-N 0 1 285.391 3.709 20 0 CHADMN Cc1cc(CN(C)Cc2cccc(O)c2)cc(F)c1F ZINC001143596732 1125573413 /nfs/dbraw/zinc/57/34/13/1125573413.db2.gz AWDHOPUZOVXQOT-UHFFFAOYSA-N 0 1 277.314 3.611 20 0 CHADMN COC(=O)[C@H](CC(C)C)N1CCC[C@@H]1c1ccc(C)s1 ZINC000509670357 1125574566 /nfs/dbraw/zinc/57/45/66/1125574566.db2.gz ZTQRLCIIRHMPMX-KGLIPLIRSA-N 0 1 295.448 3.781 20 0 CHADMN Cc1cc(NCc2cc(C3CC3)no2)c2cc(F)ccc2n1 ZINC000884638347 1125583124 /nfs/dbraw/zinc/58/31/24/1125583124.db2.gz VFAQILBCAYFKCR-UHFFFAOYSA-N 0 1 297.333 3.582 20 0 CHADMN CC[C@@H]1CN(CCCC2CCCCC2)C[C@H](C)[S@]1=O ZINC000348550228 1125587166 /nfs/dbraw/zinc/58/71/66/1125587166.db2.gz SNZJBNQMFLSXAK-ZSZQSSIHSA-N 0 1 285.497 3.578 20 0 CHADMN Cc1nc(C2CCN(c3nccc4occc43)CC2)[nH]c1C ZINC000884707335 1125590007 /nfs/dbraw/zinc/59/00/07/1125590007.db2.gz HCUZIVANEZDVPB-UHFFFAOYSA-N 0 1 296.374 3.552 20 0 CHADMN Cc1nc(CN(C)[C@@H](C)C(C)(C)C)nc2ccccc12 ZINC000532929122 1125588366 /nfs/dbraw/zinc/58/83/66/1125588366.db2.gz ZRCYENLKQQVKHU-ZDUSSCGKSA-N 0 1 271.408 3.805 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2CC[C@@H](C)[C@@H](C)C2)c(C)c1 ZINC000245920266 1125598963 /nfs/dbraw/zinc/59/89/63/1125598963.db2.gz NSAFJCCOXZYDAB-CJNGLKHVSA-N 0 1 288.435 3.528 20 0 CHADMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000054494187 1125599187 /nfs/dbraw/zinc/59/91/87/1125599187.db2.gz HAHNGXFLZHHAME-GOSISDBHSA-N 0 1 290.366 3.887 20 0 CHADMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000054494187 1125599192 /nfs/dbraw/zinc/59/91/92/1125599192.db2.gz HAHNGXFLZHHAME-GOSISDBHSA-N 0 1 290.366 3.887 20 0 CHADMN CC1=C(C(=O)Nc2ccc(C(F)F)cc2)CCN1C(C)C ZINC000885585812 1125613193 /nfs/dbraw/zinc/61/31/93/1125613193.db2.gz CRDHVKRDWAWSBF-UHFFFAOYSA-N 0 1 294.345 3.951 20 0 CHADMN C[C@@H]1CCCN(Cc2nc3cc(F)ccc3o2)[C@H]1C ZINC000246224647 1125613559 /nfs/dbraw/zinc/61/35/59/1125613559.db2.gz LXXRHBPSDCMMEC-MNOVXSKESA-N 0 1 262.328 3.587 20 0 CHADMN CC[C@H](C)CN(C)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000533557808 1125614360 /nfs/dbraw/zinc/61/43/60/1125614360.db2.gz YQENNXDBZXQTOJ-LBPRGKRZSA-N 0 1 293.361 3.628 20 0 CHADMN CC1(C)CN(Cc2csc3ccccc23)CCO1 ZINC000066421309 1125622826 /nfs/dbraw/zinc/62/28/26/1125622826.db2.gz IDCVFXSRHOAGGG-UHFFFAOYSA-N 0 1 261.390 3.512 20 0 CHADMN CCCC(=O)Nc1ccc(CNCc2cc(C)co2)cc1 ZINC000885924178 1125627180 /nfs/dbraw/zinc/62/71/80/1125627180.db2.gz JSUMIZUIDXHUPM-UHFFFAOYSA-N 0 1 286.375 3.616 20 0 CHADMN Cc1[nH]nc(CNc2ccc(OC(C)C)cc2C)c1C ZINC000885930040 1125627777 /nfs/dbraw/zinc/62/77/77/1125627777.db2.gz YJRFVVLVOXOLFW-UHFFFAOYSA-N 0 1 273.380 3.734 20 0 CHADMN Cc1n[nH]c(CN[C@@H](C)c2ccccc2C(F)(F)F)c1C ZINC000885940163 1125628570 /nfs/dbraw/zinc/62/85/70/1125628570.db2.gz CDAUVUJSGNWUKC-NSHDSACASA-N 0 1 297.324 3.896 20 0 CHADMN Cc1[nH]nc(CNc2ccc(COC(C)C)cc2)c1C ZINC000885943049 1125628919 /nfs/dbraw/zinc/62/89/19/1125628919.db2.gz XKNWELUVNOWJAW-UHFFFAOYSA-N 0 1 273.380 3.564 20 0 CHADMN CCCN(C)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000069093179 1125629704 /nfs/dbraw/zinc/62/97/04/1125629704.db2.gz JMUIVQVRHCDCNH-LLVKDONJSA-N 0 1 277.343 3.587 20 0 CHADMN FC(F)(F)SCCN1CCC(OC2CCCC2)CC1 ZINC000885972970 1125631490 /nfs/dbraw/zinc/63/14/90/1125631490.db2.gz MZMBVZNMKZDELC-UHFFFAOYSA-N 0 1 297.386 3.663 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NC/C=C\c1cccc(F)c1 ZINC000885985345 1125632618 /nfs/dbraw/zinc/63/26/18/1125632618.db2.gz FLPPOHMBAONOSW-JPVGGKMYSA-N 0 1 274.339 3.795 20 0 CHADMN Cc1[nH]nc(CNc2ccc(C)c(OC(F)F)c2)c1C ZINC000885989240 1125632701 /nfs/dbraw/zinc/63/27/01/1125632701.db2.gz ZGTTUQZWWXQGCR-UHFFFAOYSA-N 0 1 281.306 3.548 20 0 CHADMN Cc1n[nH]c(CNC(C)(C)c2cccc(Cl)c2)c1C ZINC000885994695 1125633933 /nfs/dbraw/zinc/63/39/33/1125633933.db2.gz RKALPMQAWWFHFJ-UHFFFAOYSA-N 0 1 277.799 3.705 20 0 CHADMN CC[C@H](NCc1n[nH]c(C)c1C)c1cc(F)ccc1F ZINC000885998040 1125634365 /nfs/dbraw/zinc/63/43/65/1125634365.db2.gz ZLZHJHAEYALBNY-AWEZNQCLSA-N 0 1 279.334 3.546 20 0 CHADMN Cc1coc(CN[C@H](C)[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000886005427 1125635475 /nfs/dbraw/zinc/63/54/75/1125635475.db2.gz ASCRREWDYAAPDZ-MEBBXXQBSA-N 0 1 297.757 3.592 20 0 CHADMN Cc1coc(CNC2(c3cccc(F)c3)CCOCC2)c1 ZINC000886003374 1125635800 /nfs/dbraw/zinc/63/58/00/1125635800.db2.gz BJRUFGWWROIPQT-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1cn2c(cccc2C)n1 ZINC000072901492 1125636166 /nfs/dbraw/zinc/63/61/66/1125636166.db2.gz OJOYMOWVZIHCEB-ZDUSSCGKSA-N 0 1 291.464 3.606 20 0 CHADMN Cc1ncc(-c2ccc(NCc3n[nH]c(C)c3C)cc2)o1 ZINC000886028713 1125638901 /nfs/dbraw/zinc/63/89/01/1125638901.db2.gz VFNXXBOAOBPAJX-UHFFFAOYSA-N 0 1 282.347 3.602 20 0 CHADMN Cc1[nH]nc(CNc2ccc(Br)cc2C)c1C ZINC000886057848 1125642311 /nfs/dbraw/zinc/64/23/11/1125642311.db2.gz ZKQHCRGLDDRMCU-UHFFFAOYSA-N 0 1 294.196 3.710 20 0 CHADMN CC(C)(CC(F)(F)F)NCc1ccc(Cl)cn1 ZINC000886081750 1125644644 /nfs/dbraw/zinc/64/46/44/1125644644.db2.gz XBJRRQMMFJVFSE-UHFFFAOYSA-N 0 1 266.694 3.556 20 0 CHADMN CC[C@](C)(NCCSC(F)(F)F)c1nccs1 ZINC000886069825 1125644717 /nfs/dbraw/zinc/64/47/17/1125644717.db2.gz KUMHBEWDVBOWOH-VIFPVBQESA-N 0 1 284.372 3.611 20 0 CHADMN c1csc(C2(NCCOC3CCCCC3)CCCC2)n1 ZINC000886073867 1125645142 /nfs/dbraw/zinc/64/51/42/1125645142.db2.gz ZTWWPJQVKXYVBX-UHFFFAOYSA-N 0 1 294.464 3.851 20 0 CHADMN Cc1nc(CN2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cs1 ZINC000246711198 1125647038 /nfs/dbraw/zinc/64/70/38/1125647038.db2.gz GZCAUOKDKYKRRM-RISCZKNCSA-N 0 1 290.407 3.969 20 0 CHADMN CCO[C@@H](C)c1noc(CN2CCC[C@H]2CCC(C)C)n1 ZINC000246876991 1125649918 /nfs/dbraw/zinc/64/99/18/1125649918.db2.gz LPZZWKWCKDJQFN-KBPBESRZSA-N 0 1 295.427 3.568 20 0 CHADMN CCCc1nc(C)c(CNC/C=C\c2cccc(F)c2)o1 ZINC000886125648 1125652340 /nfs/dbraw/zinc/65/23/40/1125652340.db2.gz XZKNVYHDBPUZET-YVMONPNESA-N 0 1 288.366 3.878 20 0 CHADMN C[C@@H](C1CC1)N(Cc1nccn1Cc1ccccc1)C1CC1 ZINC000075683944 1125652821 /nfs/dbraw/zinc/65/28/21/1125652821.db2.gz JSEJVCPCXMFQJP-HNNXBMFYSA-N 0 1 295.430 3.694 20 0 CHADMN Cc1[nH]nc(CNc2cccc(-c3ncco3)c2C)c1C ZINC000886122971 1125652993 /nfs/dbraw/zinc/65/29/93/1125652993.db2.gz OIZGGFBEQPSSHF-UHFFFAOYSA-N 0 1 282.347 3.602 20 0 CHADMN Cc1ccc([C@@H]2CCCN2C(=O)c2cc(C3CC3)[nH]n2)cc1 ZINC000248087495 1125661368 /nfs/dbraw/zinc/66/13/68/1125661368.db2.gz LFOAWCJYQYMQAM-KRWDZBQOSA-N 0 1 295.386 3.573 20 0 CHADMN Cc1ncc([C@@H](C)N2CCC[C@H]2c2ccco2)c(C)n1 ZINC000638069074 1129241613 /nfs/dbraw/zinc/24/16/13/1129241613.db2.gz ZTFSONLJPDRLJJ-DOMZBBRYSA-N 0 1 271.364 3.585 20 0 CHADMN Cc1ccc(-c2nnc([C@H](C)N3CCC(C)(C)C3)o2)cc1 ZINC000076014522 1125664002 /nfs/dbraw/zinc/66/40/02/1125664002.db2.gz NOLTXACQJCYBTI-ZDUSSCGKSA-N 0 1 285.391 3.838 20 0 CHADMN Cc1ccc(-c2nnc([C@@H](C)N3CCC(C)(C)C3)o2)cc1 ZINC000076014519 1125664307 /nfs/dbraw/zinc/66/43/07/1125664307.db2.gz NOLTXACQJCYBTI-CYBMUJFWSA-N 0 1 285.391 3.838 20 0 CHADMN C[C@H](C(=O)Nc1cc(Cl)ccc1F)N1CC[C@@H](C)[C@H]1C ZINC000248371565 1125664825 /nfs/dbraw/zinc/66/48/25/1125664825.db2.gz YUEXSQRVYWGOEX-GMTAPVOTSA-N 0 1 298.789 3.536 20 0 CHADMN Cc1ccc2nc(CNC(=O)[C@H]3C[C@H](C)C[C@H](C)C3)[nH]c2c1 ZINC000248525049 1125665375 /nfs/dbraw/zinc/66/53/75/1125665375.db2.gz CMYOZTHMQXKLJP-WDNDVIMCSA-N 0 1 299.418 3.560 20 0 CHADMN COc1cc(Nc2cc3ccccc3n2C)ncc1C ZINC001212046901 1125665711 /nfs/dbraw/zinc/66/57/11/1125665711.db2.gz KTLSWIYRODPRPA-UHFFFAOYSA-N 0 1 267.332 3.634 20 0 CHADMN Cc1cc(C)c(CNCc2cc(C3CC3)no2)cc1C ZINC000886272418 1125665882 /nfs/dbraw/zinc/66/58/82/1125665882.db2.gz PEPSBUUJVIWYSE-UHFFFAOYSA-N 0 1 270.376 3.767 20 0 CHADMN C[C@H]1c2ccccc2CN1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886296082 1125666947 /nfs/dbraw/zinc/66/69/47/1125666947.db2.gz ZWPYSJSLDJVXJS-YLQAJVPDSA-N 0 1 257.377 3.521 20 0 CHADMN Cc1ncc([C@@H](C)[N@H+]2CCC[C@H]2c2ccco2)c(C)n1 ZINC000638069074 1129241612 /nfs/dbraw/zinc/24/16/12/1129241612.db2.gz ZTFSONLJPDRLJJ-DOMZBBRYSA-N 0 1 271.364 3.585 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1cnc(C2CC2)s1 ZINC000886361592 1125672415 /nfs/dbraw/zinc/67/24/15/1125672415.db2.gz NWUWNGMGHVUTBV-HNNXBMFYSA-N 0 1 288.391 3.937 20 0 CHADMN Cc1cccc2ncc(Nc3cccc(OC(F)F)c3)n21 ZINC001212059048 1125676411 /nfs/dbraw/zinc/67/64/11/1125676411.db2.gz ZQQYADORMWOPME-UHFFFAOYSA-N 0 1 289.285 3.988 20 0 CHADMN Clc1cccc2ccc(CN3CCC[C@H]4C[C@H]43)nc12 ZINC001137228733 1125676691 /nfs/dbraw/zinc/67/66/91/1125676691.db2.gz RJWMSMKRUPNOGV-SWLSCSKDSA-N 0 1 272.779 3.873 20 0 CHADMN C[C@@H](NC[C@H]1CC[C@@H](C)O1)c1nc(C(C)(C)C)cs1 ZINC000249119440 1125679311 /nfs/dbraw/zinc/67/93/11/1125679311.db2.gz SNSVPBGMTMWDER-IJLUTSLNSA-N 0 1 282.453 3.659 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)C[C@@H]1CC[C@@H](C)O1 ZINC000249101661 1125679368 /nfs/dbraw/zinc/67/93/68/1125679368.db2.gz POMXPXRUCUNPRD-WZRBSPASSA-N 0 1 269.335 3.525 20 0 CHADMN c1ccc([C@H](N[C@H]2CCc3cccnc32)[C@@H]2CCCO2)cc1 ZINC000886517716 1125683061 /nfs/dbraw/zinc/68/30/61/1125683061.db2.gz OULJKEGNBDRYPT-LNLFQRSKSA-N 0 1 294.398 3.579 20 0 CHADMN Cc1[nH]c2ccc(CN[C@@H]3CCc4cccnc43)cc2c1C ZINC000886512623 1125683262 /nfs/dbraw/zinc/68/32/62/1125683262.db2.gz JQMNDUSSEXHPMR-GOSISDBHSA-N 0 1 291.398 3.957 20 0 CHADMN Cc1c2ccccc2oc1CN[C@@H](c1cnn(C)c1)C(C)C ZINC000886529237 1125684397 /nfs/dbraw/zinc/68/43/97/1125684397.db2.gz ZIVFVCIFQZNYEW-GOSISDBHSA-N 0 1 297.402 3.962 20 0 CHADMN CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cccc([O-])c1Cl ZINC000393280618 1125684616 /nfs/dbraw/zinc/68/46/16/1125684616.db2.gz XMYDLGRUTHOZOK-ZYHUDNBSSA-N 0 1 253.773 3.809 20 0 CHADMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cccc([O-])c1Cl ZINC000393280618 1125684619 /nfs/dbraw/zinc/68/46/19/1125684619.db2.gz XMYDLGRUTHOZOK-ZYHUDNBSSA-N 0 1 253.773 3.809 20 0 CHADMN CCO[C@H](C)c1noc(CN([C@@H](C)[C@H](C)CC)C2CC2)n1 ZINC000076727977 1125684746 /nfs/dbraw/zinc/68/47/46/1125684746.db2.gz IOYVGOSWTBSJTR-FRRDWIJNSA-N 0 1 295.427 3.566 20 0 CHADMN CCO[C@H](C)c1nc(CN(C)C(C2CC2)C2CC2)cs1 ZINC000076723871 1125684786 /nfs/dbraw/zinc/68/47/86/1125684786.db2.gz JFMNMFLGKDGZGF-LLVKDONJSA-N 0 1 294.464 3.861 20 0 CHADMN Cc1cccnc1[C@@H](N[C@H]1CCc2cccnc21)C(C)C ZINC000886528542 1125684774 /nfs/dbraw/zinc/68/47/74/1125684774.db2.gz NVFVKPFMOLVOAH-HOTGVXAUSA-N 0 1 281.403 3.759 20 0 CHADMN CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc([O-])c1Cl ZINC000393280612 1125684853 /nfs/dbraw/zinc/68/48/53/1125684853.db2.gz XMYDLGRUTHOZOK-CMPLNLGQSA-N 0 1 253.773 3.809 20 0 CHADMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc([O-])c1Cl ZINC000393280612 1125684855 /nfs/dbraw/zinc/68/48/55/1125684855.db2.gz XMYDLGRUTHOZOK-CMPLNLGQSA-N 0 1 253.773 3.809 20 0 CHADMN Cc1nc(C(C)(C)NCc2ccccc2)sc1C ZINC000076904614 1125687607 /nfs/dbraw/zinc/68/76/07/1125687607.db2.gz ZMDBBOVCPNSOTF-UHFFFAOYSA-N 0 1 260.406 3.785 20 0 CHADMN CCc1cccc2c1OCC[C@H]2N[C@H]1CCc2cccnc21 ZINC000886544939 1125688110 /nfs/dbraw/zinc/68/81/10/1125688110.db2.gz CYKWVTUGCOJNPA-SJORKVTESA-N 0 1 294.398 3.745 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000629375581 1125688748 /nfs/dbraw/zinc/68/87/48/1125688748.db2.gz JKZPXZONYRGSNE-XQJDBVBESA-N 0 1 291.366 3.702 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)N(C)CC3CC3)n2)cc1F ZINC000077194551 1125690182 /nfs/dbraw/zinc/69/01/82/1125690182.db2.gz JPGXYGKSDWXEHC-NSHDSACASA-N 0 1 289.354 3.587 20 0 CHADMN Cc1nc(C2CCN(C/C(Cl)=C/Cl)CC2)[nH]c1C ZINC000886664069 1125705977 /nfs/dbraw/zinc/70/59/77/1125705977.db2.gz ASHYSKQMZVOOTH-GHXNOFRVSA-N 0 1 288.222 3.525 20 0 CHADMN CCC(CC)[N@H+](Cc1cc(C)c(C(=O)[O-])o1)CC(C)C ZINC000093309273 1125701732 /nfs/dbraw/zinc/70/17/32/1125701732.db2.gz ZFWOUYSRCXPYOJ-UHFFFAOYSA-N 0 1 281.396 3.933 20 0 CHADMN Clc1ccc2c(c1)[C@@H](N[C@@H]1CCc3cccnc31)CC2 ZINC000886644932 1125703060 /nfs/dbraw/zinc/70/30/60/1125703060.db2.gz OLOGCBORWMIORM-JKSUJKDBSA-N 0 1 284.790 3.999 20 0 CHADMN C[C@@H](NCC1CCCCC1)c1nc(C(C)(C)C)no1 ZINC000237420050 1125703990 /nfs/dbraw/zinc/70/39/90/1125703990.db2.gz BLJXNWICJBSQEQ-LLVKDONJSA-N 0 1 265.401 3.598 20 0 CHADMN Clc1cscc1CN[C@H]1CCCc2ncccc21 ZINC000886657713 1125704181 /nfs/dbraw/zinc/70/41/81/1125704181.db2.gz AMIAVJTVDQBIQJ-AWEZNQCLSA-N 0 1 278.808 3.964 20 0 CHADMN CC[C@H](NCc1cc(C2CC2)no1)c1ccc2c(c1)CCO2 ZINC000886683012 1125707882 /nfs/dbraw/zinc/70/78/82/1125707882.db2.gz VGBNVDNKWWCVRT-INIZCTEOSA-N 0 1 298.386 3.728 20 0 CHADMN CC[C@H](NCc1cccnc1OC)c1cccc(C)c1 ZINC000285747162 1125716399 /nfs/dbraw/zinc/71/63/99/1125716399.db2.gz RLRBQEGJSBYPND-INIZCTEOSA-N 0 1 270.376 3.640 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H](C)c1cccc2c1OCO2 ZINC000925295432 1125717606 /nfs/dbraw/zinc/71/76/06/1125717606.db2.gz XEMROECRJSAKCW-CHWSQXEVSA-N 0 1 284.359 3.531 20 0 CHADMN CCOc1cccc(CNCc2ccc(F)c(F)c2)c1 ZINC000037505704 1125720934 /nfs/dbraw/zinc/72/09/34/1125720934.db2.gz ZCVVLPVWTVIIBQ-UHFFFAOYSA-N 0 1 277.314 3.653 20 0 CHADMN Clc1ccncc1CN1CCC[C@@H](c2ccccn2)C1 ZINC001137236674 1125729004 /nfs/dbraw/zinc/72/90/04/1125729004.db2.gz LRRSSYCTZWBWPQ-CYBMUJFWSA-N 0 1 287.794 3.510 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@H]2CCc3ccccc32)n[nH]1 ZINC000348401294 1125729812 /nfs/dbraw/zinc/72/98/12/1125729812.db2.gz AZDDTKRPJUJCSG-ZOWXZIJZSA-N 0 1 284.407 3.656 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N1CCc2cc[nH]c(=O)c2C1 ZINC000348402592 1125732127 /nfs/dbraw/zinc/73/21/27/1125732127.db2.gz HMEMHEVRMZWBKC-NSHDSACASA-N 0 1 288.778 3.560 20 0 CHADMN COc1ccc(CN[C@H](c2ccccc2)C2CCCC2)nn1 ZINC000282972609 1125735452 /nfs/dbraw/zinc/73/54/52/1125735452.db2.gz CWKIDGAYRPMVLT-GOSISDBHSA-N 0 1 297.402 3.506 20 0 CHADMN C[C@@H](CC1CCCCC1)c1nc(C2(N)CCCC2)no1 ZINC000261662211 1125736949 /nfs/dbraw/zinc/73/69/49/1125736949.db2.gz FRUDHGWUUXDFSS-LBPRGKRZSA-N 0 1 277.412 3.872 20 0 CHADMN CN(C)c1cccc(CN[C@@H]2CC(C)(C)Cc3occc32)n1 ZINC000090852243 1125747044 /nfs/dbraw/zinc/74/70/44/1125747044.db2.gz SSVPNTKTGNZWCU-OAHLLOKOSA-N 0 1 299.418 3.544 20 0 CHADMN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N(C)CCCF ZINC000887135927 1125750675 /nfs/dbraw/zinc/75/06/75/1125750675.db2.gz CCHZWBOVVPAPIG-KGLIPLIRSA-N 0 1 294.414 3.819 20 0 CHADMN Cc1ncsc1CN1CCc2ccccc2[C@@H]1C ZINC000093149669 1125763873 /nfs/dbraw/zinc/76/38/73/1125763873.db2.gz ADGQFXBMNJIFCU-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN CC(C)[C@@H](CN[C@@H](C)c1nccs1)Nc1ccccc1 ZINC000093406012 1125768305 /nfs/dbraw/zinc/76/83/05/1125768305.db2.gz BSDBIRARNDQDCH-DZGCQCFKSA-N 0 1 289.448 3.930 20 0 CHADMN CCN(Cc1ccc(F)c(C)c1)Cc1ccccn1 ZINC000093338775 1125765738 /nfs/dbraw/zinc/76/57/38/1125765738.db2.gz RZTDQVCNOIZIDV-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN Cc1ccoc1CN(C)[C@@H](C)c1sc(C)nc1C ZINC000093275536 1125766443 /nfs/dbraw/zinc/76/64/43/1125766443.db2.gz XRRNUXPARQRMPF-NSHDSACASA-N 0 1 264.394 3.854 20 0 CHADMN CCCCCCSc1nc(-c2ccccc2O)n[nH]1 ZINC000192450333 1125767701 /nfs/dbraw/zinc/76/77/01/1125767701.db2.gz QYJDCFJDHNANKV-UHFFFAOYSA-N 0 1 277.393 3.850 20 0 CHADMN CC(C)c1nc(CCN[C@@H](C)c2nccs2)cs1 ZINC000093404411 1125768056 /nfs/dbraw/zinc/76/80/56/1125768056.db2.gz BLCVSLLHUGGSCF-JTQLQIEISA-N 0 1 281.450 3.616 20 0 CHADMN CN(Cc1nc(-c2ccccc2)cs1)C1CCC1 ZINC000093475801 1125768978 /nfs/dbraw/zinc/76/89/78/1125768978.db2.gz LEFMWDHRIDIMKA-UHFFFAOYSA-N 0 1 258.390 3.794 20 0 CHADMN CN(Cc1ccon1)CC(c1ccccc1)c1ccccc1 ZINC000508689663 1125773984 /nfs/dbraw/zinc/77/39/84/1125773984.db2.gz NBTNRVNXZSRJLC-UHFFFAOYSA-N 0 1 292.382 3.939 20 0 CHADMN COc1ccncc1CN[C@@H](C)c1cccc(Cl)c1 ZINC000287865130 1125787488 /nfs/dbraw/zinc/78/74/88/1125787488.db2.gz RYLHRLNMEJZRMS-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN COCCc1ncc(CN2CC=C(C(C)(C)C)CC2)s1 ZINC000638185035 1129247230 /nfs/dbraw/zinc/24/72/30/1129247230.db2.gz ZRHRIIWKWUACFX-UHFFFAOYSA-N 0 1 294.464 3.510 20 0 CHADMN c1c(CN[C@@H]2CCCc3ccccc32)onc1C1CC1 ZINC000638285881 1129252802 /nfs/dbraw/zinc/25/28/02/1129252802.db2.gz JTEDAKLRRVCLJZ-MRXNPFEDSA-N 0 1 268.360 3.719 20 0 CHADMN CC1(C)CN(Cc2ccc(C(F)F)nc2)[C@@H]1C1CC1 ZINC000639190560 1129290358 /nfs/dbraw/zinc/29/03/58/1129290358.db2.gz NQYNPIOLJYORKZ-CYBMUJFWSA-N 0 1 266.335 3.640 20 0 CHADMN CCC[C@H](C)CCCN1CCC[C@H]1c1ncccn1 ZINC000639843246 1129335701 /nfs/dbraw/zinc/33/57/01/1129335701.db2.gz CELBDHIVYKOKSG-GJZGRUSLSA-N 0 1 261.413 3.830 20 0 CHADMN O[C@@H]1CCN(Cc2ccsc2Cl)[C@@H]2CCCC[C@@H]12 ZINC000640102834 1129348453 /nfs/dbraw/zinc/34/84/53/1129348453.db2.gz VDEBCOXUOPYROW-JHJVBQTASA-N 0 1 285.840 3.527 20 0 CHADMN CCOc1ccc(CNCc2ccc(SC)o2)cc1 ZINC000641709977 1129387443 /nfs/dbraw/zinc/38/74/43/1129387443.db2.gz KPHJSWBVVJLGKV-UHFFFAOYSA-N 0 1 277.389 3.690 20 0 CHADMN CC[N@H+](Cc1ccoc1)Cc1cc(Cl)ccc1[O-] ZINC000092935861 1129412175 /nfs/dbraw/zinc/41/21/75/1129412175.db2.gz ALKKIJNOYZWGSL-UHFFFAOYSA-N 0 1 265.740 3.661 20 0 CHADMN CC[N@@H+](Cc1ccoc1)Cc1cc(Cl)ccc1[O-] ZINC000092935861 1129412177 /nfs/dbraw/zinc/41/21/77/1129412177.db2.gz ALKKIJNOYZWGSL-UHFFFAOYSA-N 0 1 265.740 3.661 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2csc(Br)c2)C1 ZINC000642620619 1129422296 /nfs/dbraw/zinc/42/22/96/1129422296.db2.gz ADDCYLGKNIBQSX-UWVGGRQHSA-N 0 1 288.254 3.989 20 0 CHADMN Cc1nccnc1CN1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000621717752 1129185598 /nfs/dbraw/zinc/18/55/98/1129185598.db2.gz MVYMVFTZDFDANA-PXAZEXFGSA-N 0 1 285.366 3.507 20 0 CHADMN COC(=O)c1cc(CN[C@@H](C)c2ccc(C)s2)cs1 ZINC000689106562 1129187404 /nfs/dbraw/zinc/18/74/04/1129187404.db2.gz WOKRUCOOFCLOGT-JTQLQIEISA-N 0 1 295.429 3.755 20 0 CHADMN CC1(C)CCC[C@H]1[C@H]1CCN(Cc2cscn2)C1 ZINC000646049430 1129519355 /nfs/dbraw/zinc/51/93/55/1129519355.db2.gz HJCRZNDKINDEHN-JSGCOSHPSA-N 0 1 264.438 3.791 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1c(C)nn(C)c1Cl)C1CC1 ZINC000104967264 1129757884 /nfs/dbraw/zinc/75/78/84/1129757884.db2.gz CXNWJHCWJVXMJC-PWSUYJOCSA-N 0 1 283.847 3.781 20 0 CHADMN Cc1cc(CN2CCC[C@@H](C)[C@@H]2C)cnc1Cl ZINC000769221607 1129895850 /nfs/dbraw/zinc/89/58/50/1129895850.db2.gz BASDXYRBJQAJEC-PWSUYJOCSA-N 0 1 252.789 3.664 20 0 CHADMN CC(C)C[N@@H+](C[C@H]1CCC[C@H](C)C1)CC(C)(C)C(=O)[O-] ZINC000901837987 1129958704 /nfs/dbraw/zinc/95/87/04/1129958704.db2.gz FPFNCFKEJPBQEU-GJZGRUSLSA-N 0 1 283.456 3.882 20 0 CHADMN C[C@H](C[N@@H+](C)CCC(C)(C)C(=O)[O-])C1CCCCC1 ZINC000902326474 1130000174 /nfs/dbraw/zinc/00/01/74/1130000174.db2.gz SVTFCFILACQWIG-CYBMUJFWSA-N 0 1 269.429 3.636 20 0 CHADMN CC(C)(CC[N@H+]1CCCC2(C1)CCCCCC2)C(=O)[O-] ZINC000902341663 1130001042 /nfs/dbraw/zinc/00/10/42/1130001042.db2.gz HJMUEMSKTSOVQR-UHFFFAOYSA-N 0 1 281.440 3.924 20 0 CHADMN Cc1ccc2nc(SCc3cscn3)[nH]c2c1 ZINC000747900141 1130021285 /nfs/dbraw/zinc/02/12/85/1130021285.db2.gz CWYLWHQEYIYROK-UHFFFAOYSA-N 0 1 261.375 3.620 20 0 CHADMN CCCC[C@@H](C(=O)Nc1cc(CN(C)C)ccn1)C(C)C ZINC000621901961 1129205561 /nfs/dbraw/zinc/20/55/61/1129205561.db2.gz QLZUFSGHINUHKW-OAHLLOKOSA-N 0 1 291.439 3.544 20 0 CHADMN CSc1ncc(C)cc1CN1CCC(OC(C)C)CC1 ZINC001238716962 1131236976 /nfs/dbraw/zinc/23/69/76/1131236976.db2.gz PADWHPFAKUPVAP-UHFFFAOYSA-N 0 1 294.464 3.501 20 0 CHADMN CC(C)CCC[C@@H](C)NCc1nccc(OC(C)C)n1 ZINC001170072641 1130148981 /nfs/dbraw/zinc/14/89/81/1130148981.db2.gz BDKXKEDMBYKBFN-CQSZACIVSA-N 0 1 279.428 3.568 20 0 CHADMN C[C@@H](Cc1ccccc1)CN1CCn2cccc2[C@@H]1C ZINC000481708030 1126708094 /nfs/dbraw/zinc/70/80/94/1126708094.db2.gz RDHRLGLYJYFTRB-HOTGVXAUSA-N 0 1 268.404 3.744 20 0 CHADMN Fc1ccccc1OCCN1Cc2ccccc2C2(CC2)C1 ZINC000481726874 1126709063 /nfs/dbraw/zinc/70/90/63/1126709063.db2.gz HHECEOUPMUIVRR-UHFFFAOYSA-N 0 1 297.373 3.752 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1ccccc1OC ZINC000338009985 1126709575 /nfs/dbraw/zinc/70/95/75/1126709575.db2.gz CAQVLJDOGJEGIH-HZPDHXFCSA-N 0 1 299.418 3.547 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2nn(C)cc21)c1ccccc1OC ZINC000338009987 1126710007 /nfs/dbraw/zinc/71/00/07/1126710007.db2.gz CAQVLJDOGJEGIH-JKSUJKDBSA-N 0 1 299.418 3.547 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@@H](C)c1ccncc1F ZINC000338024561 1126712425 /nfs/dbraw/zinc/71/24/25/1126712425.db2.gz UJAJZNDSOIRBII-MEDUHNTESA-N 0 1 286.350 3.567 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@H](C)c2ccncc2F)s1 ZINC000338021639 1126711820 /nfs/dbraw/zinc/71/18/20/1126711820.db2.gz QVWBCILIRWFLPS-RKDXNWHRSA-N 0 1 279.384 3.706 20 0 CHADMN C[C@H](N[C@@H](C)c1ccncc1F)c1ccsc1 ZINC000338021542 1126711915 /nfs/dbraw/zinc/71/19/15/1126711915.db2.gz QBKICIWGBMBLDK-UWVGGRQHSA-N 0 1 250.342 3.694 20 0 CHADMN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2cnc[nH]2)cc1 ZINC000338086253 1126716882 /nfs/dbraw/zinc/71/68/82/1126716882.db2.gz LPBQZLNVJHXMRA-MRXNPFEDSA-N 0 1 297.402 3.685 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1Cc1csc(NC(C)=O)n1 ZINC000135347349 1126716982 /nfs/dbraw/zinc/71/69/82/1126716982.db2.gz DMXRMJPTOZJYKE-RISCZKNCSA-N 0 1 295.452 3.502 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1C[C@@H](C)OC2(CCC2)C1 ZINC000567810756 1126719292 /nfs/dbraw/zinc/71/92/92/1126719292.db2.gz FUJGTPNVYYIICI-OLZOCXBDSA-N 0 1 263.356 3.530 20 0 CHADMN Cc1nc(CN(C)C[C@@H]2CCCC(F)(F)C2)cs1 ZINC000338240259 1126726677 /nfs/dbraw/zinc/72/66/77/1126726677.db2.gz VLOGWECVQLHJPO-LLVKDONJSA-N 0 1 274.380 3.709 20 0 CHADMN COCc1ccc([C@@H]2CCCN2Cc2occc2C)o1 ZINC000137084628 1126733798 /nfs/dbraw/zinc/73/37/98/1126733798.db2.gz AIAZTUCSXXDKFE-AWEZNQCLSA-N 0 1 275.348 3.665 20 0 CHADMN COCc1ccc([C@H]2CCCN2Cc2occc2C)o1 ZINC000137084595 1126734015 /nfs/dbraw/zinc/73/40/15/1126734015.db2.gz AIAZTUCSXXDKFE-CQSZACIVSA-N 0 1 275.348 3.665 20 0 CHADMN C[C@H](C1CCCCC1)N(C)Cc1nccn1C(F)F ZINC000338351102 1126736962 /nfs/dbraw/zinc/73/69/62/1126736962.db2.gz RZXBVGCZRLMORQ-LLVKDONJSA-N 0 1 271.355 3.679 20 0 CHADMN C[C@@H]1CC[C@@H](N2CCc3cc(Br)ccc3C2)C1 ZINC001170132925 1130308070 /nfs/dbraw/zinc/30/80/70/1130308070.db2.gz PCUJVAHXNGFYCA-IAQYHMDHSA-N 0 1 294.236 3.996 20 0 CHADMN COc1ccc(CSc2nc(C(C)(C)C)n[nH]2)cc1F ZINC000144135628 1126742469 /nfs/dbraw/zinc/74/24/69/1126742469.db2.gz KRCGIYFYHUYGDH-UHFFFAOYSA-N 0 1 295.383 3.542 20 0 CHADMN COc1ccc(CSc2n[nH]c(C(C)(C)C)n2)cc1F ZINC000144135628 1126742475 /nfs/dbraw/zinc/74/24/75/1126742475.db2.gz KRCGIYFYHUYGDH-UHFFFAOYSA-N 0 1 295.383 3.542 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2ccc3ccccc3n2)n1 ZINC000148462060 1126743268 /nfs/dbraw/zinc/74/32/68/1126743268.db2.gz DXTPEQNPBPZJKU-UHFFFAOYSA-N 0 1 298.415 3.943 20 0 CHADMN CC(C)(C)c1nc(SCc2ccc3ccccc3n2)n[nH]1 ZINC000148462060 1126743271 /nfs/dbraw/zinc/74/32/71/1126743271.db2.gz DXTPEQNPBPZJKU-UHFFFAOYSA-N 0 1 298.415 3.943 20 0 CHADMN Cc1[nH]ncc1CNc1ccccc1OC(C)(C)C ZINC000150882159 1126746448 /nfs/dbraw/zinc/74/64/48/1126746448.db2.gz XATYIQKSIUJMJK-UHFFFAOYSA-N 0 1 259.353 3.508 20 0 CHADMN Cn1cncc1CN[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000150868718 1126746531 /nfs/dbraw/zinc/74/65/31/1126746531.db2.gz WHLZEVRMXABRHP-OAHLLOKOSA-N 0 1 293.361 3.575 20 0 CHADMN Cc1nc(C)c([C@H](C)Nc2cnn(-c3ccncc3)c2)s1 ZINC000679128604 1126753178 /nfs/dbraw/zinc/75/31/78/1126753178.db2.gz XAIZNTPZJZLLDC-NSHDSACASA-N 0 1 299.403 3.514 20 0 CHADMN CCn1ccc(CN(C)Cc2cc3c(cccc3C)[nH]2)c1 ZINC000668051922 1126756462 /nfs/dbraw/zinc/75/64/62/1126756462.db2.gz BMLYNRWEWOFOBG-UHFFFAOYSA-N 0 1 281.403 3.930 20 0 CHADMN CCN(CC)c1ncc(CN2CCC(C)=C(C)C2)s1 ZINC000482453639 1126757667 /nfs/dbraw/zinc/75/76/67/1126757667.db2.gz CDUCACMTFXYJCL-UHFFFAOYSA-N 0 1 279.453 3.531 20 0 CHADMN Cc1noc([C@@H](C)N[C@H](C)Cc2ccc3c(c2)CCCC3)n1 ZINC000668050144 1126757817 /nfs/dbraw/zinc/75/78/17/1126757817.db2.gz HJSCERDPXDUFGS-CHWSQXEVSA-N 0 1 299.418 3.539 20 0 CHADMN CC1=C(C)CN(Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000482461089 1126758610 /nfs/dbraw/zinc/75/86/10/1126758610.db2.gz ZIPKANAJNOJPQE-UHFFFAOYSA-N 0 1 267.376 3.619 20 0 CHADMN C[C@@H]1CC[C@@H](N(C)Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000429565343 1126760779 /nfs/dbraw/zinc/76/07/79/1126760779.db2.gz RZDKBNUYYBCOCL-CXAGYDPISA-N 0 1 287.382 3.632 20 0 CHADMN OCc1ccc(CN[C@@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000174348113 1126768931 /nfs/dbraw/zinc/76/89/31/1126768931.db2.gz OQEDFKBOTIVRCV-QGZVFWFLSA-N 0 1 289.350 3.542 20 0 CHADMN CCN(Cc1nc(-c2cccc(C)c2)no1)CC1CCC1 ZINC000483128409 1126769109 /nfs/dbraw/zinc/76/91/09/1126769109.db2.gz PZQCSVKEASJNBT-UHFFFAOYSA-N 0 1 285.391 3.667 20 0 CHADMN CC[C@H](NCc1ccc(F)c(F)c1)c1cccc(OC)n1 ZINC000924784061 1126771795 /nfs/dbraw/zinc/77/17/95/1126771795.db2.gz SBYYJNWWHLTKBH-AWEZNQCLSA-N 0 1 292.329 3.609 20 0 CHADMN CC/C=C/CCN[C@@H](CO)c1c(Cl)cccc1Cl ZINC000483237414 1126773976 /nfs/dbraw/zinc/77/39/76/1126773976.db2.gz VSULBOAHZRZVSY-OOPCZODUSA-N 0 1 288.218 3.973 20 0 CHADMN CC(C)Oc1ccc(CN2CC[C@@H](C)[C@H](F)C2)cc1 ZINC000679223900 1126779031 /nfs/dbraw/zinc/77/90/31/1126779031.db2.gz MJIFNTSQDDZHFE-CZUORRHYSA-N 0 1 265.372 3.654 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2CCC[C@@H]2C(C)C)no1 ZINC000483305755 1126780044 /nfs/dbraw/zinc/78/00/44/1126780044.db2.gz GQMKGCPXWATCBA-GDBMZVCRSA-N 0 1 299.418 3.959 20 0 CHADMN Cc1cc(-c2noc(CN(C)[C@@H](C)C(C)C)n2)ccc1F ZINC000483406303 1126784373 /nfs/dbraw/zinc/78/43/73/1126784373.db2.gz LKDYVOGBXDFBMV-LBPRGKRZSA-N 0 1 291.370 3.660 20 0 CHADMN CC1=C(C)CN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000483355459 1126782139 /nfs/dbraw/zinc/78/21/39/1126782139.db2.gz KKAWASCOQFAJRD-AWEZNQCLSA-N 0 1 283.375 3.840 20 0 CHADMN CCN(Cc1nc(-c2ccc(F)c(C)c2)no1)CC(C)C ZINC000483388976 1126785507 /nfs/dbraw/zinc/78/55/07/1126785507.db2.gz AORYARFDFMATEO-UHFFFAOYSA-N 0 1 291.370 3.662 20 0 CHADMN Cc1ccoc1CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000483441992 1126788033 /nfs/dbraw/zinc/78/80/33/1126788033.db2.gz PFSWXFLTAWWMDK-LBPRGKRZSA-N 0 1 275.314 3.998 20 0 CHADMN Cc1ccoc1CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000483441991 1126788308 /nfs/dbraw/zinc/78/83/08/1126788308.db2.gz PFSWXFLTAWWMDK-GFCCVEGCSA-N 0 1 275.314 3.998 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1cccc(OC(F)F)c1 ZINC000177046128 1126797310 /nfs/dbraw/zinc/79/73/10/1126797310.db2.gz NJOZIRUQKQCVPN-GFCCVEGCSA-N 0 1 292.329 3.876 20 0 CHADMN Cc1ccc(OC2CCN([C@@H](C)c3ccccn3)CC2)cc1 ZINC000177191946 1126798331 /nfs/dbraw/zinc/79/83/31/1126798331.db2.gz NZNYHSIORUTDIU-INIZCTEOSA-N 0 1 296.414 3.994 20 0 CHADMN Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)C2(C)CC2)c(C)c1 ZINC000177232823 1126798987 /nfs/dbraw/zinc/79/89/87/1126798987.db2.gz JDPHTEQICOWMQX-HNNXBMFYSA-N 0 1 288.435 3.671 20 0 CHADMN C[C@@H](NCc1ccc(CO)c(F)c1)c1ccccc1Cl ZINC000177246749 1126799707 /nfs/dbraw/zinc/79/97/07/1126799707.db2.gz MMMZKOJITHUUKL-LLVKDONJSA-N 0 1 293.769 3.822 20 0 CHADMN C[C@@H]1C[C@H](N[C@H](c2ccco2)c2ccccc2)C[N@H+]1C1CC1 ZINC000163211257 1126799854 /nfs/dbraw/zinc/79/98/54/1126799854.db2.gz JZIPKTWBHNZMKQ-ALKREAHSSA-N 0 1 296.414 3.584 20 0 CHADMN Cc1ncsc1CN(C)[C@H]1CCc2ccc(F)cc21 ZINC000177716578 1126805067 /nfs/dbraw/zinc/80/50/67/1126805067.db2.gz JGGFXIAGZHSUQG-AWEZNQCLSA-N 0 1 276.380 3.710 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnn(C)c1C)c1cc(F)ccc1F ZINC000177959024 1126807614 /nfs/dbraw/zinc/80/76/14/1126807614.db2.gz QPJQDVYENQOXNU-QLJPJBMISA-N 0 1 293.361 3.809 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccc(-n3cccn3)cc2)o1 ZINC000178090709 1126808737 /nfs/dbraw/zinc/80/87/37/1126808737.db2.gz VHJCGZUKGOGRRO-AWEZNQCLSA-N 0 1 295.386 3.879 20 0 CHADMN CC(C)(C)c1ncc(CN2C[C@@H]3CCCC[C@@H]32)s1 ZINC000668299435 1126808865 /nfs/dbraw/zinc/80/88/65/1126808865.db2.gz FCWLQELESRTCAL-AAEUAGOBSA-N 0 1 264.438 3.815 20 0 CHADMN CCCn1c2ccccc2nc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000668299613 1126809037 /nfs/dbraw/zinc/80/90/37/1126809037.db2.gz MXSHRMFKQNIBCB-HOCLYGCPSA-N 0 1 283.419 3.821 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H](C)C3CC3)[nH]c2c1 ZINC000178459798 1126813777 /nfs/dbraw/zinc/81/37/77/1126813777.db2.gz VMVGMYUVLANKNY-LRDDRELGSA-N 0 1 297.402 3.581 20 0 CHADMN CSc1ccc([C@@H](C)NCc2ccoc2)cc1F ZINC000178475244 1126814644 /nfs/dbraw/zinc/81/46/44/1126814644.db2.gz MJJRYAVKAOCBKN-SNVBAGLBSA-N 0 1 265.353 3.991 20 0 CHADMN Cc1ccc(Br)c(CN(C)C2CC(C)C2)c1 ZINC001137382200 1130546426 /nfs/dbraw/zinc/54/64/26/1130546426.db2.gz NFTWCFDHRUTUKV-UHFFFAOYSA-N 0 1 282.225 3.988 20 0 CHADMN Cc1cncc(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000484358402 1126814950 /nfs/dbraw/zinc/81/49/50/1126814950.db2.gz RSIFZLADPJTCDM-ZDUSSCGKSA-N 0 1 286.341 3.800 20 0 CHADMN C[C@@H](O)c1ccc(CN[C@H](C)c2cccnc2Cl)cc1 ZINC000178547982 1126816577 /nfs/dbraw/zinc/81/65/77/1126816577.db2.gz IQJXFPATNDODNE-VXGBXAGGSA-N 0 1 290.794 3.639 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H]3CC3(C)C)[nH]c2c1 ZINC000178862482 1126821118 /nfs/dbraw/zinc/82/11/18/1126821118.db2.gz KHLHDPFVWMBOTL-DOMZBBRYSA-N 0 1 297.402 3.581 20 0 CHADMN CCN(c1ccc(NCc2ccc(CO)o2)cc1)C(C)C ZINC000178800346 1126820340 /nfs/dbraw/zinc/82/03/40/1126820340.db2.gz DDXLHDKDMRBYJG-UHFFFAOYSA-N 0 1 288.391 3.619 20 0 CHADMN C[C@@H](c1noc(-c2cccc(F)c2O)n1)C(C)(C)C ZINC000904009074 1126820498 /nfs/dbraw/zinc/82/04/98/1126820498.db2.gz RSPBBBZOVQANQH-QMMMGPOBSA-N 0 1 264.300 3.731 20 0 CHADMN CC[C@@H](NCc1cccc(O)c1)c1cc(C)ccc1OC ZINC000179420118 1126827153 /nfs/dbraw/zinc/82/71/53/1126827153.db2.gz UIBHRCQUNQUYKO-QGZVFWFLSA-N 0 1 285.387 3.950 20 0 CHADMN CCN(Cc1ccc(OC)c(Cl)c1)Cc1ccccn1 ZINC000179364709 1126827603 /nfs/dbraw/zinc/82/76/03/1126827603.db2.gz VLKRCMOCWNUEJT-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccccn1 ZINC000179467686 1126828681 /nfs/dbraw/zinc/82/86/81/1126828681.db2.gz WQEZAEIHPOMVDD-JCGIZDLHSA-N 0 1 282.387 3.653 20 0 CHADMN Cc1ccc(-c2noc([C@@H]3CC[C@H]4CCCC[C@H]4N3)n2)o1 ZINC000904108488 1126829285 /nfs/dbraw/zinc/82/92/85/1126829285.db2.gz VYFYGZNEZPDGIX-UPJWGTAASA-N 0 1 287.363 3.621 20 0 CHADMN CCN(Cc1cccs1)Cc1ccccc1NC(C)=O ZINC000179721110 1126832998 /nfs/dbraw/zinc/83/29/98/1126832998.db2.gz FAFMMMFEQQYUBS-UHFFFAOYSA-N 0 1 288.416 3.729 20 0 CHADMN COc1ccc([C@H]2CCCCCN2Cc2c[nH]cn2)cc1 ZINC000179774318 1126833782 /nfs/dbraw/zinc/83/37/82/1126833782.db2.gz OBGFENUJWLZPKW-QGZVFWFLSA-N 0 1 285.391 3.536 20 0 CHADMN FC(F)(F)c1ccccc1CN(Cc1cnc[nH]1)C1CC1 ZINC000180032718 1126838482 /nfs/dbraw/zinc/83/84/82/1126838482.db2.gz AKUXMKUOGFDUNF-UHFFFAOYSA-N 0 1 295.308 3.593 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2ccnc(Cl)c2)c1 ZINC000180694780 1126847376 /nfs/dbraw/zinc/84/73/76/1126847376.db2.gz DJOVEYKNEVZNBF-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN COC[C@H](N[C@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000180845282 1126849742 /nfs/dbraw/zinc/84/97/42/1126849742.db2.gz CSJCUTDRIAAFEC-ROUUACIJSA-N 0 1 285.362 3.790 20 0 CHADMN Cc1ncccc1CNCc1ccc(Br)s1 ZINC000163851271 1126850058 /nfs/dbraw/zinc/85/00/58/1126850058.db2.gz NKJJNBLXSIPJPU-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN C[C@H](N[C@@H]1CCCOc2c(F)cccc21)c1ccncc1 ZINC000181322877 1126854394 /nfs/dbraw/zinc/85/43/94/1126854394.db2.gz NWZMKEDVVPFIEY-BLLLJJGKSA-N 0 1 286.350 3.785 20 0 CHADMN COC(=O)c1cc(CN[C@H](C)c2ccccc2)c(C)s1 ZINC000181377536 1126854921 /nfs/dbraw/zinc/85/49/21/1126854921.db2.gz JBQPZLPBLQDYPS-LLVKDONJSA-N 0 1 289.400 3.694 20 0 CHADMN CC[C@H](C)CN(Cc1ccco1)Cc1cccnc1 ZINC000182068035 1126864912 /nfs/dbraw/zinc/86/49/12/1126864912.db2.gz DBAJXIPWGOBADI-AWEZNQCLSA-N 0 1 258.365 3.723 20 0 CHADMN COc1cccc([C@@H](C)NCc2ccc(Cl)cn2)c1 ZINC000182124824 1126866206 /nfs/dbraw/zinc/86/62/06/1126866206.db2.gz OCXUESNOVRTQRN-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN CC[C@@H](NCc1ccc(Cl)cn1)c1ccc(OC)cc1 ZINC000182126617 1126866522 /nfs/dbraw/zinc/86/65/22/1126866522.db2.gz CVADBZGMDOQMTB-MRXNPFEDSA-N 0 1 290.794 3.985 20 0 CHADMN CC[C@H](N[C@H]1CCCc2ccccc21)c1nccn1C ZINC000182187920 1126867275 /nfs/dbraw/zinc/86/72/75/1126867275.db2.gz YIXONSRPESHPLB-HOTGVXAUSA-N 0 1 269.392 3.538 20 0 CHADMN C[C@H](NC1(c2cccc(F)c2)CC1)c1ccc2c(c1)OCO2 ZINC000182215612 1126868410 /nfs/dbraw/zinc/86/84/10/1126868410.db2.gz CMLNGJVYXBSCBL-LBPRGKRZSA-N 0 1 299.345 3.894 20 0 CHADMN Cn1ccnc1[C@@H](N[C@@H]1CCCc2ccccc21)C1CC1 ZINC000183232391 1126884058 /nfs/dbraw/zinc/88/40/58/1126884058.db2.gz RSHRVIMCFPYPOG-SJORKVTESA-N 0 1 281.403 3.538 20 0 CHADMN COC[C@H]1CCN1Cc1ccc(-c2cccc(Cl)c2)o1 ZINC001204718198 1126887589 /nfs/dbraw/zinc/88/75/89/1126887589.db2.gz YBZBDPOLCPUNCR-CQSZACIVSA-N 0 1 291.778 3.821 20 0 CHADMN Cc1ccc(CN(C)[C@H](C)c2ccncc2)cc1F ZINC000183705330 1126890605 /nfs/dbraw/zinc/89/06/05/1126890605.db2.gz JMNUWUMZMVRMMR-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN CS[C@H](C)CN[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183807787 1126891470 /nfs/dbraw/zinc/89/14/70/1126891470.db2.gz CVMQKXYHRSXEGL-WBMJQRKESA-N 0 1 290.407 3.651 20 0 CHADMN CCNC(=O)CN(CC)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000485193923 1126895264 /nfs/dbraw/zinc/89/52/64/1126895264.db2.gz QSUOTGMPVFZURY-AWEZNQCLSA-N 0 1 290.451 3.503 20 0 CHADMN CCNC(=O)CN(CC)[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000485193924 1126895612 /nfs/dbraw/zinc/89/56/12/1126895612.db2.gz QSUOTGMPVFZURY-CQSZACIVSA-N 0 1 290.451 3.503 20 0 CHADMN C[N@@H+](CCCC(C)(C)C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905369626 1126898675 /nfs/dbraw/zinc/89/86/75/1126898675.db2.gz MBZZSRDZKAYUJP-CQSZACIVSA-N 0 1 263.381 3.570 20 0 CHADMN CC(C)c1ccc(NCc2[nH]nc3ccccc32)cn1 ZINC000905432920 1126902799 /nfs/dbraw/zinc/90/27/99/1126902799.db2.gz MYBSHQOEBCBULT-UHFFFAOYSA-N 0 1 266.348 3.693 20 0 CHADMN CCc1ccc(C)nc1N[C@@H](C)Cc1ccn(C(C)C)n1 ZINC000668478323 1126911055 /nfs/dbraw/zinc/91/10/55/1126911055.db2.gz NFCOUDKBKAJXIM-AWEZNQCLSA-N 0 1 286.423 3.773 20 0 CHADMN CCc1ccc(C)nc1NC1CCC(COC)CC1 ZINC000668477884 1126911714 /nfs/dbraw/zinc/91/17/14/1126911714.db2.gz HYJIPOUQLXPLIP-UHFFFAOYSA-N 0 1 262.397 3.570 20 0 CHADMN C[C@H](NCc1csnn1)C1(c2ccccc2)CCCC1 ZINC000187643133 1126912984 /nfs/dbraw/zinc/91/29/84/1126912984.db2.gz MUGFYXFCZVEBGY-ZDUSSCGKSA-N 0 1 287.432 3.528 20 0 CHADMN Fc1cc(Cl)ccc1CSc1nc(C2CC2)n[nH]1 ZINC000187802420 1126914617 /nfs/dbraw/zinc/91/46/17/1126914617.db2.gz RGVHKQAZZXXKLD-UHFFFAOYSA-N 0 1 283.759 3.767 20 0 CHADMN Fc1cc(Cl)ccc1CSc1n[nH]c(C2CC2)n1 ZINC000187802420 1126914618 /nfs/dbraw/zinc/91/46/18/1126914618.db2.gz RGVHKQAZZXXKLD-UHFFFAOYSA-N 0 1 283.759 3.767 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](N[C@@H](C)c1cnccn1)CC2 ZINC000187801428 1126914893 /nfs/dbraw/zinc/91/48/93/1126914893.db2.gz AUNYPRZVCFILEL-SUMWQHHRSA-N 0 1 281.403 3.938 20 0 CHADMN CCN(Cc1nc(C)c(C)o1)[C@@H](C)Cc1ccsc1 ZINC000187785239 1126915014 /nfs/dbraw/zinc/91/50/14/1126915014.db2.gz KHGRAEUPIKJDDH-NSHDSACASA-N 0 1 278.421 3.806 20 0 CHADMN CN(Cc1cn([C@@H]2C=CCCCCC2)nn1)C(C)(C)C ZINC000905804160 1126916498 /nfs/dbraw/zinc/91/64/98/1126916498.db2.gz VOGIWUIJWSRYIG-OAHLLOKOSA-N 0 1 276.428 3.570 20 0 CHADMN CC[C@@H](NCc1cccc(N(C)C)n1)c1cccc(F)c1 ZINC000188275069 1126922067 /nfs/dbraw/zinc/92/20/67/1126922067.db2.gz ITOGFIAIHZDXED-MRXNPFEDSA-N 0 1 287.382 3.528 20 0 CHADMN Cc1cccc([C@H](O)CN2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000905957205 1126923584 /nfs/dbraw/zinc/92/35/84/1126923584.db2.gz MBWCEBJXRMEEPI-MSOLQXFVSA-N 0 1 296.414 3.507 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN[C@H](C)c1cnccn1 ZINC000188669048 1126924408 /nfs/dbraw/zinc/92/44/08/1126924408.db2.gz UUMZXQKLWHWQOC-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000188116882 1126920343 /nfs/dbraw/zinc/92/03/43/1126920343.db2.gz XPSMOQUIESMJHR-XTQGRXLLSA-N 0 1 299.393 3.898 20 0 CHADMN Cc1cc(C(=O)Nc2cccc3c2CN(CC(C)C)C3)co1 ZINC000188826075 1126926580 /nfs/dbraw/zinc/92/65/80/1126926580.db2.gz NWZKQDBEKZQFRD-UHFFFAOYSA-N 0 1 298.386 3.812 20 0 CHADMN CC(C)c1cnc(CN2CC[C@]3(CC[C@@H](C)C3)C2)o1 ZINC000782106704 1130755171 /nfs/dbraw/zinc/75/51/71/1130755171.db2.gz ILWGJEDNTQOEAH-CJNGLKHVSA-N 0 1 262.397 3.810 20 0 CHADMN Clc1ccc(CN2CCC([C@@H]3CCCO3)CC2)s1 ZINC000189130430 1126929027 /nfs/dbraw/zinc/92/90/27/1126929027.db2.gz XPMBPUNSZDKYEX-ZDUSSCGKSA-N 0 1 285.840 3.793 20 0 CHADMN Cc1ccnc(CN2CCC23CCCCC3)c1Cl ZINC001235577771 1130756348 /nfs/dbraw/zinc/75/63/48/1130756348.db2.gz VCQSWFXAEMHMRW-UHFFFAOYSA-N 0 1 264.800 3.952 20 0 CHADMN CCc1ccc(-c2cnc([C@@H]3CCCCN3)nc2)cc1 ZINC000906161207 1126936420 /nfs/dbraw/zinc/93/64/20/1126936420.db2.gz CVXIESRFOLRGIY-INIZCTEOSA-N 0 1 267.376 3.521 20 0 CHADMN c1c2ccccc2oc1-c1cnc([C@@H]2CCCCN2)nc1 ZINC000906164888 1126936881 /nfs/dbraw/zinc/93/68/81/1126936881.db2.gz MUUOVZOOBUIYEJ-AWEZNQCLSA-N 0 1 279.343 3.704 20 0 CHADMN c1cnc2c(c1)cccc2-c1cnc([C@H]2CCCCN2)nc1 ZINC000906163639 1126937152 /nfs/dbraw/zinc/93/71/52/1126937152.db2.gz DOUDYHRLGCDMGB-MRXNPFEDSA-N 0 1 290.370 3.506 20 0 CHADMN CCSc1cc(CNCc2ccsc2)ccn1 ZINC000189602950 1126933118 /nfs/dbraw/zinc/93/31/18/1126933118.db2.gz KTPLEVBIQOPHAQ-UHFFFAOYSA-N 0 1 264.419 3.545 20 0 CHADMN Cc1cc(C[N@H+](C)C[C@@H](C)c2cccc(Cl)c2)no1 ZINC000189702517 1126934042 /nfs/dbraw/zinc/93/40/42/1126934042.db2.gz SWIAAIZBOJZYAM-LLVKDONJSA-N 0 1 278.783 3.872 20 0 CHADMN Cc1cc(CN(C)C[C@@H](C)c2cccc(Cl)c2)no1 ZINC000189702517 1126934044 /nfs/dbraw/zinc/93/40/44/1126934044.db2.gz SWIAAIZBOJZYAM-LLVKDONJSA-N 0 1 278.783 3.872 20 0 CHADMN Cc1cncc(Br)c1CN(C)C1CCCC1 ZINC001235647446 1130761696 /nfs/dbraw/zinc/76/16/96/1130761696.db2.gz NPOGMMKWFLPCPW-UHFFFAOYSA-N 0 1 283.213 3.527 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cnn(C(C)C)c2C)c1 ZINC000191125927 1126948189 /nfs/dbraw/zinc/94/81/89/1126948189.db2.gz NYBYRFVPESCLCM-ZDUSSCGKSA-N 0 1 287.407 3.632 20 0 CHADMN CC[C@H](NCc1ccc(Br)o1)c1ccncc1 ZINC000191184565 1126948955 /nfs/dbraw/zinc/94/89/55/1126948955.db2.gz USFQPOQGXUYHNB-LBPRGKRZSA-N 0 1 295.180 3.678 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1csc(Cl)c1 ZINC000191266208 1126949882 /nfs/dbraw/zinc/94/98/82/1126949882.db2.gz TVAHSLBEPLVJEG-IUCAKERBSA-N 0 1 283.828 3.855 20 0 CHADMN CCC(C)(C)CN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000191825333 1126955385 /nfs/dbraw/zinc/95/53/85/1126955385.db2.gz XBWCMYMFGQKBNJ-CQSZACIVSA-N 0 1 257.381 3.525 20 0 CHADMN Oc1cccc2c1CCC[C@@H]2NCc1ccccc1F ZINC000191665323 1126954302 /nfs/dbraw/zinc/95/43/02/1126954302.db2.gz XAJMNWPVZLJNHD-INIZCTEOSA-N 0 1 271.335 3.699 20 0 CHADMN Cc1cc(C)c2c(c1)C[N@H+](CCC(F)(F)F)CC2 ZINC000485865088 1126958363 /nfs/dbraw/zinc/95/83/63/1126958363.db2.gz UDORKRBBTATBCX-UHFFFAOYSA-N 0 1 257.299 3.614 20 0 CHADMN Cc1cc(C)c2c(c1)CN(CCC(F)(F)F)CC2 ZINC000485865088 1126958364 /nfs/dbraw/zinc/95/83/64/1126958364.db2.gz UDORKRBBTATBCX-UHFFFAOYSA-N 0 1 257.299 3.614 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)N1CCS[C@@H](C)CC1 ZINC000192194739 1126958943 /nfs/dbraw/zinc/95/89/43/1126958943.db2.gz MWLSKGMLCODFSW-RYUDHWBXSA-N 0 1 276.405 3.716 20 0 CHADMN CC(C)Oc1ccc(CC[C@@H](C)NCc2cocn2)cc1 ZINC000192288984 1126960377 /nfs/dbraw/zinc/96/03/77/1126960377.db2.gz HHLUFOPSWOSUKI-CQSZACIVSA-N 0 1 288.391 3.573 20 0 CHADMN COc1cc(C)cc(CN[C@@H]2CCCc3occc32)c1 ZINC000193042674 1126966107 /nfs/dbraw/zinc/96/61/07/1126966107.db2.gz RMABFNNIYBNDMJ-MRXNPFEDSA-N 0 1 271.360 3.764 20 0 CHADMN C[C@@H](NC1(c2ccc(Cl)cc2)CCC1)c1ccnn1C ZINC000193088579 1126966787 /nfs/dbraw/zinc/96/67/87/1126966787.db2.gz CHDAGVGBUPQCKR-GFCCVEGCSA-N 0 1 289.810 3.804 20 0 CHADMN CCCNc1ccc(CNCc2ccc(CC)o2)cc1 ZINC000193156284 1126967962 /nfs/dbraw/zinc/96/79/62/1126967962.db2.gz KFRPFGORDTVKTI-UHFFFAOYSA-N 0 1 272.392 3.954 20 0 CHADMN CCCNc1ccc(CN[C@H](C)c2ccco2)cc1 ZINC000193360185 1126968550 /nfs/dbraw/zinc/96/85/50/1126968550.db2.gz SQTXFPOKUXDZEF-CYBMUJFWSA-N 0 1 258.365 3.952 20 0 CHADMN CCO[C@H](CN[C@H](C)c1nccs1)c1ccccc1 ZINC000193429305 1126969246 /nfs/dbraw/zinc/96/92/46/1126969246.db2.gz JNSSOZQBULYZIB-TZMCWYRMSA-N 0 1 276.405 3.572 20 0 CHADMN COC[C@H](N[C@H](C)c1ccncc1)c1ccc(Cl)cc1 ZINC000193941391 1126972178 /nfs/dbraw/zinc/97/21/78/1126972178.db2.gz NRKBFKSDPOZBQD-WBMJQRKESA-N 0 1 290.794 3.773 20 0 CHADMN CCn1c2ccccc2nc1CN1CCC[C@@H](CCF)C1 ZINC000668592321 1126972884 /nfs/dbraw/zinc/97/28/84/1126972884.db2.gz JYJVESIGIVWSMG-AWEZNQCLSA-N 0 1 289.398 3.628 20 0 CHADMN Clc1csc(CN2CCC([C@H]3CCCO3)CC2)c1 ZINC000194507829 1126974710 /nfs/dbraw/zinc/97/47/10/1126974710.db2.gz SOQYBCRQIOQHDV-CQSZACIVSA-N 0 1 285.840 3.793 20 0 CHADMN Cc1cnc(CCN(C)Cc2sccc2Cl)s1 ZINC000194421561 1126975104 /nfs/dbraw/zinc/97/51/04/1126975104.db2.gz DPUDZUNPHIJECI-UHFFFAOYSA-N 0 1 286.853 3.841 20 0 CHADMN COc1ccc(CNCc2ccc(C)c(Cl)c2)cc1O ZINC000195440569 1126979513 /nfs/dbraw/zinc/97/95/13/1126979513.db2.gz FSXOVUJRZMFNPB-UHFFFAOYSA-N 0 1 291.778 3.652 20 0 CHADMN CCc1nc[nH]c1C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000907357068 1126976845 /nfs/dbraw/zinc/97/68/45/1126976845.db2.gz AUIJFSIWFQOEGU-GFCCVEGCSA-N 0 1 283.375 3.516 20 0 CHADMN CCCCCCc1ccc(CN2CC[C@@H]2NC)s1 ZINC001236166673 1130877973 /nfs/dbraw/zinc/87/79/73/1130877973.db2.gz JBRXXAONMLZRMC-OAHLLOKOSA-N 0 1 266.454 3.622 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC(c2ncc[nH]2)CC1 ZINC000266793514 1126987674 /nfs/dbraw/zinc/98/76/74/1126987674.db2.gz XLSYIQQLDMYSPV-NSHDSACASA-N 0 1 291.345 3.629 20 0 CHADMN CC(C)CCOC1CCN(Cc2cc(C3CC3)no2)CC1 ZINC000659844502 1126992227 /nfs/dbraw/zinc/99/22/27/1126992227.db2.gz NBIMMFFWMBBZJW-UHFFFAOYSA-N 0 1 292.423 3.579 20 0 CHADMN Cn1ccc(CNCc2ccccc2OC2CCCC2)c1 ZINC000267103272 1126993629 /nfs/dbraw/zinc/99/36/29/1126993629.db2.gz PJWXTZHLEQSODF-UHFFFAOYSA-N 0 1 284.403 3.636 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)[nH]1 ZINC000621972966 1129214022 /nfs/dbraw/zinc/21/40/22/1129214022.db2.gz YBXZSQGWDTZIEP-UHFFFAOYSA-N 0 1 297.280 3.606 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000267464546 1127000595 /nfs/dbraw/zinc/00/05/95/1127000595.db2.gz WAAMNAGYWBGQJK-NEPJUHHUSA-N 0 1 291.345 3.629 20 0 CHADMN CN(Cc1ccc(O)cc1)Cc1ccccc1OC(F)F ZINC000267468305 1127000785 /nfs/dbraw/zinc/00/07/85/1127000785.db2.gz OEYUCVWIQNPOBH-UHFFFAOYSA-N 0 1 293.313 3.626 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1nc(CC(C)C)no1 ZINC000486787720 1127001359 /nfs/dbraw/zinc/00/13/59/1127001359.db2.gz MNYQCZMSDSAKSF-AWEZNQCLSA-N 0 1 279.428 3.813 20 0 CHADMN Clc1ncccc1CN1CCS[C@H]2CCCC[C@@H]21 ZINC000267741901 1127005863 /nfs/dbraw/zinc/00/58/63/1127005863.db2.gz OIQQEAUWWKAUCC-STQMWFEESA-N 0 1 282.840 3.595 20 0 CHADMN C[C@H]1CN(Cc2nc3ccccc3n2C(F)F)C[C@H]1C ZINC000267799924 1127006316 /nfs/dbraw/zinc/00/63/16/1127006316.db2.gz KSXINQGPMAGXHT-PHIMTYICSA-N 0 1 279.334 3.519 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2cc(C)c(C)cc2Cl)[nH]1 ZINC000908549326 1127007200 /nfs/dbraw/zinc/00/72/00/1127007200.db2.gz ZTIXFDLMHBACNC-UHFFFAOYSA-N 0 1 277.755 3.549 20 0 CHADMN CC(C)n1ccc(CN2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000268026196 1127009526 /nfs/dbraw/zinc/00/95/26/1127009526.db2.gz KWJBLPYOVHKMKH-OAHLLOKOSA-N 0 1 287.382 3.593 20 0 CHADMN CCc1noc(CC)c1CN[C@@H]1CCc2c1cccc2F ZINC000268047404 1127011041 /nfs/dbraw/zinc/01/10/41/1127011041.db2.gz SMGIDCZKQUSBNY-MRXNPFEDSA-N 0 1 288.366 3.716 20 0 CHADMN Clc1ccccc1CNC/C=C\c1ccncc1 ZINC000486936984 1127011119 /nfs/dbraw/zinc/01/11/19/1127011119.db2.gz KOKLTIDIYYIHAY-ARJAWSKDSA-N 0 1 258.752 3.538 20 0 CHADMN Cc1cccc2[nH]c(CN3CCC(c4ccon4)CC3)cc21 ZINC000668717563 1127012193 /nfs/dbraw/zinc/01/21/93/1127012193.db2.gz DMYAMKOBKBFNNI-UHFFFAOYSA-N 0 1 295.386 3.844 20 0 CHADMN CCN(Cc1cccc(C(F)(F)F)c1F)C1CC1 ZINC001138006763 1130914902 /nfs/dbraw/zinc/91/49/02/1130914902.db2.gz INNZNUDQZKWRFB-UHFFFAOYSA-N 0 1 261.262 3.829 20 0 CHADMN Cc1ccc([C@H](N[C@@H](C)c2cnccn2)C2CC2)cc1 ZINC000268788518 1127023661 /nfs/dbraw/zinc/02/36/61/1127023661.db2.gz WSWGGOYFNILSLW-GUYCJALGSA-N 0 1 267.376 3.587 20 0 CHADMN Cc1ccc([C@H](N[C@H](C)c2cnccn2)C2CC2)cc1 ZINC000268788515 1127023682 /nfs/dbraw/zinc/02/36/82/1127023682.db2.gz WSWGGOYFNILSLW-DYVFJYSZSA-N 0 1 267.376 3.587 20 0 CHADMN C[C@H](NCCOc1ccc(F)cc1)c1cccnc1Cl ZINC000268780855 1127023748 /nfs/dbraw/zinc/02/37/48/1127023748.db2.gz AKAORUNCILNRQI-NSHDSACASA-N 0 1 294.757 3.604 20 0 CHADMN Cc1ccsc1[C@H](C)NCc1cn2ccsc2n1 ZINC000268790318 1127024770 /nfs/dbraw/zinc/02/47/70/1127024770.db2.gz FWWQXHZSVLTCQT-JTQLQIEISA-N 0 1 277.418 3.617 20 0 CHADMN CC(C)(C)c1n[nH]c(SC/C(Cl)=C/Cl)n1 ZINC000268651646 1127020137 /nfs/dbraw/zinc/02/01/37/1127020137.db2.gz VUTUXQAKIOKTHS-XQRVVYSFSA-N 0 1 266.197 3.513 20 0 CHADMN CC(C)(C)c1nc(SC/C(Cl)=C/Cl)n[nH]1 ZINC000268651646 1127020140 /nfs/dbraw/zinc/02/01/40/1127020140.db2.gz VUTUXQAKIOKTHS-XQRVVYSFSA-N 0 1 266.197 3.513 20 0 CHADMN CC[C@@H](C)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000268725203 1127022030 /nfs/dbraw/zinc/02/20/30/1127022030.db2.gz AIXLVLXFULTGQX-RISCZKNCSA-N 0 1 277.799 3.551 20 0 CHADMN CC(C)(C)c1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000268827700 1127025077 /nfs/dbraw/zinc/02/50/77/1127025077.db2.gz JUNMLABLGLEWEI-MRXNPFEDSA-N 0 1 283.419 3.874 20 0 CHADMN c1[nH]nc2c1CCC[C@H]2NCc1csc2ccccc12 ZINC000268815904 1127025402 /nfs/dbraw/zinc/02/54/02/1127025402.db2.gz GAWQEUVCHNJBJF-CQSZACIVSA-N 0 1 283.400 3.792 20 0 CHADMN FC(F)(F)c1cccc(CN[C@@H]2CCCc3c[nH]nc32)c1 ZINC000268824292 1127025558 /nfs/dbraw/zinc/02/55/58/1127025558.db2.gz IOUMMOZTTQSDQQ-CYBMUJFWSA-N 0 1 295.308 3.596 20 0 CHADMN Cc1c(CN(C)[C@@H](C)c2cccc(Cl)c2)cnn1C ZINC000268873839 1127026468 /nfs/dbraw/zinc/02/64/68/1127026468.db2.gz GPNAYVOIDRWTSJ-NSHDSACASA-N 0 1 277.799 3.575 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1cn2cc(C)ccc2n1 ZINC000268856737 1127026545 /nfs/dbraw/zinc/02/65/45/1127026545.db2.gz IOMKZOOHFYKJLZ-GOSISDBHSA-N 0 1 291.398 3.728 20 0 CHADMN CCCC[C@H](CC)CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268908822 1127027976 /nfs/dbraw/zinc/02/79/76/1127027976.db2.gz ARXSTQHBUDCPQQ-JSGCOSHPSA-N 0 1 277.412 3.510 20 0 CHADMN CC[C@@](C)(NC/C=C/c1ccncc1)c1nc(C)cs1 ZINC000487310396 1127030506 /nfs/dbraw/zinc/03/05/06/1127030506.db2.gz XXGKHZWYRABOEV-SQRWCISFSA-N 0 1 287.432 3.775 20 0 CHADMN Cc1cnc([C@H](NC/C=C/c2ccncc2)C2CC2)s1 ZINC000487293630 1127030850 /nfs/dbraw/zinc/03/08/50/1127030850.db2.gz DHVCDSDYVFVGGS-XYBNCVKDSA-N 0 1 285.416 3.601 20 0 CHADMN CCc1ccc([C@@H](CO)NCc2cc(Cl)cs2)cc1 ZINC000487545449 1127033120 /nfs/dbraw/zinc/03/31/20/1127033120.db2.gz YVNBZWYCHMYFOP-OAHLLOKOSA-N 0 1 295.835 3.787 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H](C)Oc2cccc(C)c2)cs1 ZINC000269431485 1127040084 /nfs/dbraw/zinc/04/00/84/1127040084.db2.gz PQOCGAADQIQGTP-QWHCGFSZSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1nc([C@H](C)NC[C@H](C)Oc2ccccc2C)cs1 ZINC000269404796 1127038366 /nfs/dbraw/zinc/03/83/66/1127038366.db2.gz HLCMWELMHCKBRF-STQMWFEESA-N 0 1 290.432 3.878 20 0 CHADMN Cc1nc([C@H](C)NCCCNc2ccccc2)cs1 ZINC000269448643 1127039655 /nfs/dbraw/zinc/03/96/55/1127039655.db2.gz VIZRCZQDNIPMHG-LBPRGKRZSA-N 0 1 275.421 3.604 20 0 CHADMN Cc1nc2c(s1)[C@@H](N(C)Cc1cnccc1C)CCC2 ZINC000269623592 1127043936 /nfs/dbraw/zinc/04/39/36/1127043936.db2.gz JBWJDPYXFFRXDR-HNNXBMFYSA-N 0 1 287.432 3.664 20 0 CHADMN C[C@@H](C1CC1)N(Cc1nccs1)Cc1ccccc1 ZINC000269684950 1127044247 /nfs/dbraw/zinc/04/42/47/1127044247.db2.gz UYYRWRHYRVJXQZ-ZDUSSCGKSA-N 0 1 272.417 3.944 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CC[C@H](C(C)C)C3)n[nH]2)cc1 ZINC000487864902 1127044666 /nfs/dbraw/zinc/04/46/66/1127044666.db2.gz CALHUIWKAWVJEZ-HNNXBMFYSA-N 0 1 297.402 3.503 20 0 CHADMN Cc1cccc(Cl)c1NC(=O)CN(C)CC(C)(C)C ZINC000270316011 1127052406 /nfs/dbraw/zinc/05/24/06/1127052406.db2.gz QKENJCPSDRSFGH-UHFFFAOYSA-N 0 1 282.815 3.565 20 0 CHADMN COCCN(Cc1ncc(C(C)(C)C)o1)[C@H]1CCC[C@H]1C ZINC000488083081 1127054773 /nfs/dbraw/zinc/05/47/73/1127054773.db2.gz YUXBJGLXDSQVDQ-KGLIPLIRSA-N 0 1 294.439 3.609 20 0 CHADMN Cc1cc(Cl)cc(CN2[C@@H](C)CCC[C@@H]2C)n1 ZINC001236632299 1130985955 /nfs/dbraw/zinc/98/59/55/1130985955.db2.gz BRZSCKIPDYNYOB-RYUDHWBXSA-N 0 1 252.789 3.806 20 0 CHADMN c1nc(C[N@H+]2CC[C@H](c3ccccc3)C2)oc1C1CC1 ZINC000270674137 1127060557 /nfs/dbraw/zinc/06/05/57/1127060557.db2.gz XTPWJERKCSMIKQ-HNNXBMFYSA-N 0 1 268.360 3.542 20 0 CHADMN c1nc(CN2CC[C@H](c3ccccc3)C2)oc1C1CC1 ZINC000270674137 1127060561 /nfs/dbraw/zinc/06/05/61/1127060561.db2.gz XTPWJERKCSMIKQ-HNNXBMFYSA-N 0 1 268.360 3.542 20 0 CHADMN CC[N@@H+](CCc1cccs1)[C@@H](C)c1nc(C(C)C)no1 ZINC000270770737 1127062050 /nfs/dbraw/zinc/06/20/50/1127062050.db2.gz LSJGGPCCJQFLFJ-LBPRGKRZSA-N 0 1 293.436 3.880 20 0 CHADMN CCN(CCc1cccs1)[C@@H](C)c1nc(C(C)C)no1 ZINC000270770737 1127062053 /nfs/dbraw/zinc/06/20/53/1127062053.db2.gz LSJGGPCCJQFLFJ-LBPRGKRZSA-N 0 1 293.436 3.880 20 0 CHADMN c1cc2cccc(CN3CCO[C@@H](c4ccccc4)C3)c2[nH]1 ZINC000271045462 1127065407 /nfs/dbraw/zinc/06/54/07/1127065407.db2.gz PUPCIYJCSHHLBX-GOSISDBHSA-N 0 1 292.382 3.741 20 0 CHADMN CN(C)c1ncc(CN2CCC[C@H]2c2cccs2)s1 ZINC000271042914 1127065925 /nfs/dbraw/zinc/06/59/25/1127065925.db2.gz PGPWNSIECLRUOI-LBPRGKRZSA-N 0 1 293.461 3.608 20 0 CHADMN CCn1cc(CN([C@@H](C)c2ccccc2)C2CC2)cn1 ZINC000271049935 1127066156 /nfs/dbraw/zinc/06/61/56/1127066156.db2.gz OHWPWWDUCIZNNT-AWEZNQCLSA-N 0 1 269.392 3.629 20 0 CHADMN CC(C)n1cc(CN2CCC[C@H]2c2ccsc2)cn1 ZINC000271057019 1127066724 /nfs/dbraw/zinc/06/67/24/1127066724.db2.gz DDPOUNLFSDKQIQ-HNNXBMFYSA-N 0 1 275.421 3.863 20 0 CHADMN Cc1ccccc1O[C@@H](C)CN[C@@H](C)c1cscn1 ZINC000271066916 1127067783 /nfs/dbraw/zinc/06/77/83/1127067783.db2.gz DHTFWTAAEYKUIS-STQMWFEESA-N 0 1 276.405 3.570 20 0 CHADMN Cc1cccc2c1[C@@H](C)C[C@@H]2NCc1cn2ccccc2n1 ZINC000271139638 1127069396 /nfs/dbraw/zinc/06/93/96/1127069396.db2.gz NZJKGABCGQBLNL-YOEHRIQHSA-N 0 1 291.398 3.981 20 0 CHADMN Cc1cccc(OC[C@@H](C)N[C@@H](C)c2cscn2)c1 ZINC000271119721 1127069485 /nfs/dbraw/zinc/06/94/85/1127069485.db2.gz JCIPVZWJCUGZRO-OLZOCXBDSA-N 0 1 276.405 3.570 20 0 CHADMN COCC[C@H](C)Sc1nc(C)c(-c2ccccc2)[nH]1 ZINC000488298805 1127069835 /nfs/dbraw/zinc/06/98/35/1127069835.db2.gz NEMYAFAFROPJMF-NSHDSACASA-N 0 1 276.405 3.902 20 0 CHADMN COc1ccccc1C1(CN[C@@H](C)c2cscn2)CC1 ZINC000271131328 1127070231 /nfs/dbraw/zinc/07/02/31/1127070231.db2.gz LZXLZBKPWWPIJU-LBPRGKRZSA-N 0 1 288.416 3.534 20 0 CHADMN C[C@H]1SCCN(Cc2cc3ccc(F)cc3[nH]2)[C@H]1C ZINC000488305313 1127071610 /nfs/dbraw/zinc/07/16/10/1127071610.db2.gz ZTKLLIVWXNIUKS-WDEREUQCSA-N 0 1 278.396 3.633 20 0 CHADMN C[C@@H](NCCc1cc(Cl)ccc1Cl)c1ccon1 ZINC000488312786 1127072013 /nfs/dbraw/zinc/07/20/13/1127072013.db2.gz LPKJYOHMSZFAJB-SECBINFHSA-N 0 1 285.174 3.875 20 0 CHADMN Fc1ccc(CN2CC[C@H](c3cccnc3)C2)c(Cl)c1 ZINC000645981065 1127078934 /nfs/dbraw/zinc/07/89/34/1127078934.db2.gz NXSUFDGQBKWZIO-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1nnc(CN2C[C@@H](c3ccccc3C)C[C@@H]2C)s1 ZINC000271422622 1127079330 /nfs/dbraw/zinc/07/93/30/1127079330.db2.gz MLWQIOWVEBEUEK-JSGCOSHPSA-N 0 1 287.432 3.533 20 0 CHADMN Cc1n[nH]cc1CN[C@@H](C)c1ccc(SC(F)F)cc1 ZINC000271424517 1127080744 /nfs/dbraw/zinc/08/07/44/1127080744.db2.gz BALCZTIHBHZXGH-VIFPVBQESA-N 0 1 297.374 3.884 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H]2CCCc3sccc32)n[nH]1 ZINC000271438100 1127082136 /nfs/dbraw/zinc/08/21/36/1127082136.db2.gz DWVLBBBLUWOQFO-ZYHUDNBSSA-N 0 1 290.436 3.718 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H](C)c2ccccc2Cl)n[nH]1 ZINC000271453166 1127082858 /nfs/dbraw/zinc/08/28/58/1127082858.db2.gz GKTSGNVWPASQKG-WDEREUQCSA-N 0 1 292.814 3.993 20 0 CHADMN CC1(C)C[C@@H](N[C@@H]2CCCc3c[nH]nc32)c2ccccc21 ZINC000271449397 1127082904 /nfs/dbraw/zinc/08/29/04/1127082904.db2.gz DKHSNTRNKKGCQO-HZPDHXFCSA-N 0 1 281.403 3.799 20 0 CHADMN Cc1nc([C@H](C)NCCOc2ccccc2Cl)cs1 ZINC000271455850 1127082919 /nfs/dbraw/zinc/08/29/19/1127082919.db2.gz FLRCXJIWYZHAJC-JTQLQIEISA-N 0 1 296.823 3.835 20 0 CHADMN CCCOc1ccc([C@H](C)N[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000271450903 1127082932 /nfs/dbraw/zinc/08/29/32/1127082932.db2.gz DOBZPOWSNLJUBU-SUMWQHHRSA-N 0 1 299.418 3.927 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H]2CCc3c2cccc3F)c1 ZINC000924841142 1127084165 /nfs/dbraw/zinc/08/41/65/1127084165.db2.gz ABUWLMNZSGHNFC-MEDUHNTESA-N 0 1 286.350 3.567 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc3c(c2)CCCC3)ncn1 ZINC000271475016 1127084344 /nfs/dbraw/zinc/08/43/44/1127084344.db2.gz IXRNMOPUPMLMQM-AWEZNQCLSA-N 0 1 281.403 3.515 20 0 CHADMN Cc1ccc([C@@H](C)NC[C@@H](O)c2c(F)cccc2Cl)o1 ZINC000271489310 1127085658 /nfs/dbraw/zinc/08/56/58/1127085658.db2.gz LPUGEKLVMWZOAM-ZWNOBZJWSA-N 0 1 297.757 3.765 20 0 CHADMN Cc1cccc([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000271499430 1127086621 /nfs/dbraw/zinc/08/66/21/1127086621.db2.gz LXNBGTBTVZBRSH-OLZOCXBDSA-N 0 1 272.396 3.648 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H]2CCCc3ccccc32)n[nH]1 ZINC000271549280 1127090489 /nfs/dbraw/zinc/09/04/89/1127090489.db2.gz RYBJHDGXWWAZSC-SWLSCSKDSA-N 0 1 284.407 3.656 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H]2CCCc3ccccc32)n[nH]1 ZINC000271549282 1127091058 /nfs/dbraw/zinc/09/10/58/1127091058.db2.gz RYBJHDGXWWAZSC-WFASDCNBSA-N 0 1 284.407 3.656 20 0 CHADMN CC(C)Oc1ccc([C@H](C)N[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000271562995 1127091918 /nfs/dbraw/zinc/09/19/18/1127091918.db2.gz XGGDNMMHNYUTAJ-SUMWQHHRSA-N 0 1 299.418 3.925 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccco1)[C@@H](O)c1c(F)cccc1F ZINC000271569268 1127093213 /nfs/dbraw/zinc/09/32/13/1127093213.db2.gz YWCXPCUIEIJJMG-YNZJMPHRSA-N 0 1 295.329 3.721 20 0 CHADMN C[C@H](NCCc1csc(C(C)(C)C)n1)c1cscn1 ZINC000271569209 1127093475 /nfs/dbraw/zinc/09/34/75/1127093475.db2.gz VLVQWNRFZUUUKU-JTQLQIEISA-N 0 1 295.477 3.790 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H](C)c2ccc(F)c(F)c2)n[nH]1 ZINC000271583651 1127094266 /nfs/dbraw/zinc/09/42/66/1127094266.db2.gz XFPQIJAQMOWYAP-VHSXEESVSA-N 0 1 294.349 3.618 20 0 CHADMN CCOc1ccc([C@H](C)NCc2c(C)onc2CC)cc1 ZINC000271694027 1127096975 /nfs/dbraw/zinc/09/69/75/1127096975.db2.gz RHODWRHJNIXREE-LBPRGKRZSA-N 0 1 288.391 3.795 20 0 CHADMN CCc1noc(C)c1CN[C@@H](C)c1ccc(F)cc1 ZINC000271673036 1127097051 /nfs/dbraw/zinc/09/70/51/1127097051.db2.gz IKTUAFYPMUZDTL-JTQLQIEISA-N 0 1 262.328 3.535 20 0 CHADMN COc1cccc([C@@H](C)NCc2cnc(Cl)s2)c1 ZINC000271692539 1127097089 /nfs/dbraw/zinc/09/70/89/1127097089.db2.gz QYWXMODGEQGQFR-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN CC(C)Cc1ccc([C@@H](NCc2ncc[nH]2)C2CC2)cc1 ZINC000067696588 1127098135 /nfs/dbraw/zinc/09/81/35/1127098135.db2.gz GHLRCAUDBZJILD-GOSISDBHSA-N 0 1 283.419 3.849 20 0 CHADMN CC(C)=CCC[C@H](C)N[C@H](C)c1nnc(C)s1 ZINC000274138918 1127108936 /nfs/dbraw/zinc/10/89/36/1127108936.db2.gz CUVTZBWOJRXFOJ-WDEREUQCSA-N 0 1 253.415 3.632 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1cnccc1C ZINC000274313259 1127112536 /nfs/dbraw/zinc/11/25/36/1127112536.db2.gz MWTVDLWWWFAVBL-CYBMUJFWSA-N 0 1 286.423 3.501 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000274311794 1127112767 /nfs/dbraw/zinc/11/27/67/1127112767.db2.gz MQCIKDGWLLUQQC-CQSZACIVSA-N 0 1 287.432 3.826 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1nnc(-c2ccccc2)s1 ZINC000274311794 1127112770 /nfs/dbraw/zinc/11/27/70/1127112770.db2.gz MQCIKDGWLLUQQC-CQSZACIVSA-N 0 1 287.432 3.826 20 0 CHADMN CCc1ccc(CN2CCc3cc(C)ccc3C2)nc1 ZINC000339125097 1127114042 /nfs/dbraw/zinc/11/40/42/1127114042.db2.gz XFGOVTAEXBBTKL-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN CCSc1cccc(CN[C@@H]2CCCc3c[nH]nc32)c1 ZINC000274388335 1127116537 /nfs/dbraw/zinc/11/65/37/1127116537.db2.gz BWLOWABKCAIDDO-OAHLLOKOSA-N 0 1 287.432 3.689 20 0 CHADMN Fc1cncc(CN(Cc2ccco2)C2CCCC2)c1 ZINC000274407735 1127117878 /nfs/dbraw/zinc/11/78/78/1127117878.db2.gz ZHMROWLADOLKRQ-UHFFFAOYSA-N 0 1 274.339 3.759 20 0 CHADMN O=C(Cc1cnc[nH]1)Nc1cccc(C2CCCCC2)c1 ZINC000912980399 1127118049 /nfs/dbraw/zinc/11/80/49/1127118049.db2.gz ZZSXKASTPAELTN-UHFFFAOYSA-N 0 1 283.375 3.639 20 0 CHADMN Cn1cc(CNC(C)(C)c2cccc(F)c2)c(C(F)F)n1 ZINC000274470574 1127120513 /nfs/dbraw/zinc/12/05/13/1127120513.db2.gz JWAGZYOYDXGVIA-UHFFFAOYSA-N 0 1 297.324 3.522 20 0 CHADMN COc1cc(C[N@@H+](CCSC(C)C)C2CC2)ccc1O ZINC000283058321 1127121141 /nfs/dbraw/zinc/12/11/41/1127121141.db2.gz JJITYFRPRMDPTE-UHFFFAOYSA-N 0 1 295.448 3.507 20 0 CHADMN COc1cc([C@@H](C)N[C@H](C)c2sc(C)nc2C)ccn1 ZINC000348638082 1127123472 /nfs/dbraw/zinc/12/34/72/1127123472.db2.gz DGCYEIAXIKRUIL-NXEZZACHSA-N 0 1 291.420 3.575 20 0 CHADMN COc1ccc(CN[C@H](c2ccccc2C)C(C)(C)C)nn1 ZINC000283315585 1127131247 /nfs/dbraw/zinc/13/12/47/1127131247.db2.gz ZIDOXLDICKHARE-QGZVFWFLSA-N 0 1 299.418 3.671 20 0 CHADMN C[C@@H]1C[C@H]1CN1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000348889697 1127133922 /nfs/dbraw/zinc/13/39/22/1127133922.db2.gz CPFVEQJRTULNNT-KWCYVHTRSA-N 0 1 275.396 3.520 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2c2cccnc2)cc1F ZINC000348920421 1127134463 /nfs/dbraw/zinc/13/44/63/1127134463.db2.gz JTOJFTBVJYVOOT-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN OC[C@@H](N[C@@H]1CCSc2ccccc21)c1ccsc1 ZINC000349314373 1127146394 /nfs/dbraw/zinc/14/63/94/1127146394.db2.gz QXXMRWZEASHMFU-ZIAGYGMSSA-N 0 1 291.441 3.608 20 0 CHADMN Cc1cccc(CC[N@@H+](C)Cc2occc2[S-])c1 ZINC001237191567 1131069111 /nfs/dbraw/zinc/06/91/11/1131069111.db2.gz MJRMNZNUAOYPLL-UHFFFAOYSA-N 0 1 261.390 3.551 20 0 CHADMN Cc1cccc(CC[N@H+](C)Cc2occc2[S-])c1 ZINC001237191567 1131069117 /nfs/dbraw/zinc/06/91/17/1131069117.db2.gz MJRMNZNUAOYPLL-UHFFFAOYSA-N 0 1 261.390 3.551 20 0 CHADMN OC[C@H](N[C@@H]1CCSc2ccccc21)c1ccsc1 ZINC000349314371 1127146675 /nfs/dbraw/zinc/14/66/75/1127146675.db2.gz QXXMRWZEASHMFU-KGLIPLIRSA-N 0 1 291.441 3.608 20 0 CHADMN CC[C@H](N[C@H](CO)c1ccsc1)c1ccccc1 ZINC000349324307 1127146936 /nfs/dbraw/zinc/14/69/36/1127146936.db2.gz QBYGHCCZESBALP-LSDHHAIUSA-N 0 1 261.390 3.522 20 0 CHADMN Cc1ccc([C@@H](NCc2cccc3c2OCO3)C2CCC2)o1 ZINC000349454735 1127151447 /nfs/dbraw/zinc/15/14/47/1127151447.db2.gz PYAKDISTDHVNHD-KRWDZBQOSA-N 0 1 299.370 3.948 20 0 CHADMN CCc1oc2ccccc2c1CN(C)Cc1cnn(C)c1C ZINC000349641024 1127156671 /nfs/dbraw/zinc/15/66/71/1127156671.db2.gz LENSRKQBTMUYGN-UHFFFAOYSA-N 0 1 297.402 3.669 20 0 CHADMN Clc1cnc(CNCCc2cc3ccccc3[nH]2)s1 ZINC000349704605 1127158275 /nfs/dbraw/zinc/15/82/75/1127158275.db2.gz SAXWVBFVGVVJRD-UHFFFAOYSA-N 0 1 291.807 3.610 20 0 CHADMN C[C@@H](Cn1cc([C@H](N)c2ccccc2)nn1)C1CCCCC1 ZINC000641121145 1127159947 /nfs/dbraw/zinc/15/99/47/1127159947.db2.gz FGTKSKJGQZHPDT-KBXCAEBGSA-N 0 1 298.434 3.543 20 0 CHADMN CCC[C@H](N[C@H](C)c1cn[nH]c1)c1ccc(F)cc1F ZINC000283897458 1127162985 /nfs/dbraw/zinc/16/29/85/1127162985.db2.gz CTWHLGZKPJUAMV-BMIGLBTASA-N 0 1 279.334 3.880 20 0 CHADMN Cc1nsc(C)c1CN1CCC(OC(C)(C)C)CC1 ZINC000571696646 1127164409 /nfs/dbraw/zinc/16/44/09/1127164409.db2.gz HKUHVCIETUXUGA-UHFFFAOYSA-N 0 1 282.453 3.539 20 0 CHADMN CC1(C)CCC[C@@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000571710492 1127164415 /nfs/dbraw/zinc/16/44/15/1127164415.db2.gz SZAMTCPUXUCHQI-MRVPVSSYSA-N 0 1 285.746 3.950 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000284008670 1127169131 /nfs/dbraw/zinc/16/91/31/1127169131.db2.gz LCNHPEVQOXASBH-JTQLQIEISA-N 0 1 283.297 3.588 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2ccncc2Cl)C1 ZINC000350040926 1127171309 /nfs/dbraw/zinc/17/13/09/1127171309.db2.gz LFVIIOGNSJWCML-AWEZNQCLSA-N 0 1 252.789 3.747 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cccc3c2OCO3)cc1 ZINC000924858643 1127171904 /nfs/dbraw/zinc/17/19/04/1127171904.db2.gz PDLXDJUAQAWGRX-QWHCGFSZSA-N 0 1 299.370 3.836 20 0 CHADMN C[C@@H](NCCCCCF)c1nc(-c2cccc(F)c2)no1 ZINC000284065313 1127172172 /nfs/dbraw/zinc/17/21/72/1127172172.db2.gz KKYPTYZFEOSVAD-LLVKDONJSA-N 0 1 295.333 3.666 20 0 CHADMN Cc1cc([C@@H](C)NCC2(c3ccc(F)cc3)CC2)no1 ZINC000284101103 1127173958 /nfs/dbraw/zinc/17/39/58/1127173958.db2.gz MVSNLYXEAJHJSX-GFCCVEGCSA-N 0 1 274.339 3.505 20 0 CHADMN CCCCC[N@@H+](C)Cc1cc(Cl)nc(Cl)c1[O-] ZINC001237525032 1131111128 /nfs/dbraw/zinc/11/11/28/1131111128.db2.gz JMMHNNQBQCLRAZ-UHFFFAOYSA-N 0 1 277.195 3.716 20 0 CHADMN FCCNCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000284224511 1127178493 /nfs/dbraw/zinc/17/84/93/1127178493.db2.gz CYRATAQRCGNAGO-UHFFFAOYSA-N 0 1 270.760 3.523 20 0 CHADMN C/C(=C/c1ccccc1)CNCc1csc(C)n1 ZINC000588178155 1127180171 /nfs/dbraw/zinc/18/01/71/1127180171.db2.gz QXNHFXZKYSKXSR-WQLSENKSSA-N 0 1 258.390 3.645 20 0 CHADMN COc1ncc([C@@H](C)N[C@@H](C)c2cccnc2)cc1Cl ZINC000284358177 1127181015 /nfs/dbraw/zinc/18/10/15/1127181015.db2.gz NREBOYKXKXIHTB-WDEREUQCSA-N 0 1 291.782 3.550 20 0 CHADMN CSCc1cnc(CN2CCC[C@@H]2C2CCC2)s1 ZINC000350971180 1127182623 /nfs/dbraw/zinc/18/26/23/1127182623.db2.gz LZTQBHOLYOGGDB-CYBMUJFWSA-N 0 1 282.478 3.771 20 0 CHADMN CC(C)(C)c1ncc(CNC2(c3ccccc3)CCC2)cn1 ZINC000284421431 1127183206 /nfs/dbraw/zinc/18/32/06/1127183206.db2.gz RFGVJDVDGNMGID-UHFFFAOYSA-N 0 1 295.430 3.943 20 0 CHADMN CC(C)C[C@H](C)N(C)Cc1nccn1Cc1ccccc1 ZINC000351051230 1127184512 /nfs/dbraw/zinc/18/45/12/1127184512.db2.gz DYANFHQBMHMBQF-INIZCTEOSA-N 0 1 285.435 3.798 20 0 CHADMN CC(C)Sc1cccc(Cl)c1CN1CCN(C)CC1 ZINC000351218935 1127186554 /nfs/dbraw/zinc/18/65/54/1127186554.db2.gz AAJGCRZPFHDVQE-UHFFFAOYSA-N 0 1 298.883 3.588 20 0 CHADMN CC(C)(C)[C@@H]1C[N@@H+](Cc2ccc3occc3c2)CCO1 ZINC000572008970 1127191102 /nfs/dbraw/zinc/19/11/02/1127191102.db2.gz QDYAMPJJJLOKMS-INIZCTEOSA-N 0 1 273.376 3.680 20 0 CHADMN CC(C)(C)[C@@H]1CN(Cc2ccc3occc3c2)CCO1 ZINC000572008970 1127191107 /nfs/dbraw/zinc/19/11/07/1127191107.db2.gz QDYAMPJJJLOKMS-INIZCTEOSA-N 0 1 273.376 3.680 20 0 CHADMN CCCCN(Cc1nccc(N)n1)[C@@H](CC)c1ccccc1 ZINC000351520687 1127191567 /nfs/dbraw/zinc/19/15/67/1127191567.db2.gz SDGYQNQMAKIODA-INIZCTEOSA-N 0 1 298.434 3.643 20 0 CHADMN COCCN(Cc1occc1C)[C@@H](C)c1ccccc1 ZINC000351580961 1127195329 /nfs/dbraw/zinc/19/53/29/1127195329.db2.gz FFIFCSKYDKAQLK-HNNXBMFYSA-N 0 1 273.376 3.798 20 0 CHADMN Oc1ccc2c(c1)CC[N@H+](Cc1ccc(Cl)cc1)CC2 ZINC000588754306 1127195558 /nfs/dbraw/zinc/19/55/58/1127195558.db2.gz UALWNVWMSDMOIE-UHFFFAOYSA-N 0 1 287.790 3.646 20 0 CHADMN COCCN(Cc1ccc(C)o1)[C@@H](C)c1ccccc1 ZINC000351588386 1127196385 /nfs/dbraw/zinc/19/63/85/1127196385.db2.gz HNZWBYQODDIRCK-HNNXBMFYSA-N 0 1 273.376 3.798 20 0 CHADMN CCCN(C(=O)c1cc(-c2ccc(C)cc2)[nH]n1)C(C)C ZINC000572302571 1127197690 /nfs/dbraw/zinc/19/76/90/1127197690.db2.gz JFUNQFCDRUTUCO-UHFFFAOYSA-N 0 1 285.391 3.646 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cccnc2C)c1 ZINC000351637196 1127200466 /nfs/dbraw/zinc/20/04/66/1127200466.db2.gz VDYAZZJBGWEHIB-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN C[C@H]1COC[C@H](C)N1Cc1ccc(C2CCC2)cc1 ZINC000351643865 1127200792 /nfs/dbraw/zinc/20/07/92/1127200792.db2.gz JPINQSYKMOBSHN-KBPBESRZSA-N 0 1 259.393 3.563 20 0 CHADMN Cc1cc(C)c(Cl)c(CN(C)C[C@H]2CCCCO2)c1 ZINC001237703751 1131131534 /nfs/dbraw/zinc/13/15/34/1131131534.db2.gz FUKNIFWORPOWLI-OAHLLOKOSA-N 0 1 281.827 3.958 20 0 CHADMN Clc1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)s1 ZINC000284732665 1127202546 /nfs/dbraw/zinc/20/25/46/1127202546.db2.gz KLHZTHSGADUGAL-NEPJUHHUSA-N 0 1 271.813 3.545 20 0 CHADMN C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC(C)(C)CC1 ZINC000588904075 1127204350 /nfs/dbraw/zinc/20/43/50/1127204350.db2.gz OSLWTTOVZPDBEJ-GFCCVEGCSA-N 0 1 294.826 3.789 20 0 CHADMN C[C@@H]1CCC[C@@H](N[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000284816701 1127207098 /nfs/dbraw/zinc/20/70/98/1127207098.db2.gz LJFJTWKSIDOBGX-FVQBIDKESA-N 0 1 269.392 3.667 20 0 CHADMN Cc1cccnc1CCNCc1c(F)cccc1Cl ZINC000294720765 1129217025 /nfs/dbraw/zinc/21/70/25/1129217025.db2.gz CNQLTKVFDSVSGZ-UHFFFAOYSA-N 0 1 278.758 3.515 20 0 CHADMN COc1nscc1CN1CCC(C)(CC(C)C)CC1 ZINC001307814851 1127217603 /nfs/dbraw/zinc/21/76/03/1127217603.db2.gz AADXSRXZASDHAZ-UHFFFAOYSA-N 0 1 282.453 3.800 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2cc(C)ccc2OC)cn1 ZINC000352250362 1127222823 /nfs/dbraw/zinc/22/28/23/1127222823.db2.gz HEPUXVHEDFVCNE-AWEZNQCLSA-N 0 1 284.403 3.812 20 0 CHADMN CCCOc1cc(F)ccc1CN1CCC2(CC2)C1 ZINC001237905976 1131149693 /nfs/dbraw/zinc/14/96/93/1131149693.db2.gz JSBFTHRHEOPMAA-UHFFFAOYSA-N 0 1 263.356 3.600 20 0 CHADMN CCc1ccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000352390515 1127228662 /nfs/dbraw/zinc/22/86/62/1127228662.db2.gz CZWCZZNUGWESFB-MRXNPFEDSA-N 0 1 289.810 3.546 20 0 CHADMN Cc1ccc(CN2C[C@H](c3ccccc3)OC[C@@H]2C)cc1 ZINC000589604901 1127229316 /nfs/dbraw/zinc/22/93/16/1127229316.db2.gz GLUZGOOKVRVUHY-QFBILLFUSA-N 0 1 281.399 3.957 20 0 CHADMN Cc1ncc(CN(C)[C@H](c2ccc(F)cc2)C(C)C)cn1 ZINC000352407573 1127229445 /nfs/dbraw/zinc/22/94/45/1127229445.db2.gz QNXMFYUNJLTFRC-KRWDZBQOSA-N 0 1 287.382 3.753 20 0 CHADMN Clc1ccccc1CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000352440983 1127232797 /nfs/dbraw/zinc/23/27/97/1127232797.db2.gz RDNZLSKJVRARJO-CVEARBPZSA-N 0 1 291.822 3.874 20 0 CHADMN C[C@H](c1ccccc1F)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000352440275 1127232991 /nfs/dbraw/zinc/23/29/91/1127232991.db2.gz MXKHODAOPYCHHS-XOKHGSTOSA-N 0 1 289.394 3.920 20 0 CHADMN CCCn1cc(CN[C@H]2CCc3sc(Cl)cc32)cn1 ZINC000352455608 1127233773 /nfs/dbraw/zinc/23/37/73/1127233773.db2.gz ZRZFGTFORSTRRG-LBPRGKRZSA-N 0 1 295.839 3.785 20 0 CHADMN CCc1cccc(CNC(C)(C)c2c(C)noc2C)c1 ZINC000285609172 1127239374 /nfs/dbraw/zinc/23/93/74/1127239374.db2.gz KEPBRLOPLAQVND-UHFFFAOYSA-N 0 1 272.392 3.879 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)NCCCCF)n2)ccc1F ZINC000285728708 1127241297 /nfs/dbraw/zinc/24/12/97/1127241297.db2.gz UEZXXQTVARTNDJ-LLVKDONJSA-N 0 1 295.333 3.584 20 0 CHADMN CC(C)CCc1nc(CN[C@H]2CSC[C@H]2C)cs1 ZINC000352800219 1127245451 /nfs/dbraw/zinc/24/54/51/1127245451.db2.gz HBRZFINCJAAOFU-YPMHNXCESA-N 0 1 284.494 3.573 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@H]2CCCc3occc32)c1 ZINC000285855779 1127245717 /nfs/dbraw/zinc/24/57/17/1127245717.db2.gz YDAMIUHCCJXBHA-OCCSQVGLSA-N 0 1 256.349 3.711 20 0 CHADMN COc1cccc([C@@H](C)N[C@@H](C)c2cc(C)ccn2)c1 ZINC000285893313 1127246409 /nfs/dbraw/zinc/24/64/09/1127246409.db2.gz CKCMIGAKHOQHRK-KGLIPLIRSA-N 0 1 270.376 3.810 20 0 CHADMN Brc1ccc2oc(CN3CCCCC3)nc2c1 ZINC000286044645 1127256266 /nfs/dbraw/zinc/25/62/66/1127256266.db2.gz QQSFHOLRTMKOJH-UHFFFAOYSA-N 0 1 295.180 3.576 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@H]2CCc3cc(F)ccc32)c1 ZINC000286087250 1127257628 /nfs/dbraw/zinc/25/76/28/1127257628.db2.gz MOZFOCUEHNWXGJ-WBMJQRKESA-N 0 1 270.351 3.867 20 0 CHADMN CC(C)(C)c1nc(CNCC2(C(F)(F)F)CC2)cs1 ZINC000353051744 1127259483 /nfs/dbraw/zinc/25/94/83/1127259483.db2.gz ZWKYUYDEBJYFSD-UHFFFAOYSA-N 0 1 292.370 3.873 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cc(C)ccn2)cc1 ZINC000286136575 1127260337 /nfs/dbraw/zinc/26/03/37/1127260337.db2.gz OTHIDYMILYBFQW-ZIAGYGMSSA-N 0 1 270.376 3.810 20 0 CHADMN CCn1nnc(C)c1CN[C@H](C)c1oc2ccccc2c1C ZINC000572930071 1127260894 /nfs/dbraw/zinc/26/08/94/1127260894.db2.gz ZECZAHAZUXIMKJ-CYBMUJFWSA-N 0 1 298.390 3.512 20 0 CHADMN CO[C@@H]1CCC[C@@H]1N[C@@H](c1ccco1)c1ccccc1 ZINC000224422283 1127261514 /nfs/dbraw/zinc/26/15/14/1127261514.db2.gz IRTJNFSXURFCBL-ZMSDIMECSA-N 0 1 271.360 3.526 20 0 CHADMN CCc1ccccc1CN[C@@H](C)c1cc(C)ccn1 ZINC000286217753 1127263490 /nfs/dbraw/zinc/26/34/90/1127263490.db2.gz SHDORUDYWXEYCT-AWEZNQCLSA-N 0 1 254.377 3.803 20 0 CHADMN COC(=O)c1ccoc1CN1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000353223444 1127264777 /nfs/dbraw/zinc/26/47/77/1127264777.db2.gz AQSXWGCSYGLLFY-XJKSGUPXSA-N 0 1 299.370 3.649 20 0 CHADMN Clc1ccccc1-c1cccc([C@@H]2COCCN2)c1 ZINC000629691336 1127265197 /nfs/dbraw/zinc/26/51/97/1127265197.db2.gz UPMIIILYEKJTNA-INIZCTEOSA-N 0 1 273.763 3.668 20 0 CHADMN CC(C)c1nc([C@H](C)NCc2ccc3occc3c2)n[nH]1 ZINC000286442447 1127267637 /nfs/dbraw/zinc/26/76/37/1127267637.db2.gz JKHXWJVOSFGPCT-NSHDSACASA-N 0 1 284.363 3.525 20 0 CHADMN c1ccc2[nH]c(CN3CCC[C@]4(CC=CCC4)C3)nc2c1 ZINC000353898701 1127276358 /nfs/dbraw/zinc/27/63/58/1127276358.db2.gz KKQPJOSHLFDPKU-GOSISDBHSA-N 0 1 281.403 3.885 20 0 CHADMN CC(C)OCCN1CC(C)(C)[C@@H]1c1cccs1 ZINC000286987932 1127280309 /nfs/dbraw/zinc/28/03/09/1127280309.db2.gz PFNCXVPHBBDRIL-ZDUSSCGKSA-N 0 1 253.411 3.556 20 0 CHADMN Cc1ncccc1CNCc1ccc(F)cc1C(F)(F)F ZINC000590881351 1127276927 /nfs/dbraw/zinc/27/69/27/1127276927.db2.gz YEWQQSHZFWWLHP-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN2CCSC(C)(C)C2)o1 ZINC000353908695 1127277395 /nfs/dbraw/zinc/27/73/95/1127277395.db2.gz CWDXBCZZIURIGU-WCQYABFASA-N 0 1 265.422 3.730 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)o1 ZINC000590886033 1127277576 /nfs/dbraw/zinc/27/75/76/1127277576.db2.gz OCTFGAGTGWJFBO-ZIAGYGMSSA-N 0 1 292.423 3.525 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)o1 ZINC000590886031 1127277914 /nfs/dbraw/zinc/27/79/14/1127277914.db2.gz OCTFGAGTGWJFBO-KBPBESRZSA-N 0 1 292.423 3.525 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN1CCS[C@H](C)[C@@H]1C ZINC000353923851 1127278725 /nfs/dbraw/zinc/27/87/25/1127278725.db2.gz PDJDEMKIBSPETB-GXTWGEPZSA-N 0 1 295.496 3.581 20 0 CHADMN CCOC(=O)c1coc(CN[C@H](c2ccccc2)C2CC2)c1 ZINC000353930960 1127279723 /nfs/dbraw/zinc/27/97/23/1127279723.db2.gz PFORXBRFGICGDX-QGZVFWFLSA-N 0 1 299.370 3.697 20 0 CHADMN CCC1(CC)[C@H](N[C@H](C)c2c(F)cncc2F)C[C@@H]1OC ZINC000353927906 1127279741 /nfs/dbraw/zinc/27/97/41/1127279741.db2.gz WYNUFOYHEVLTFO-HONMWMINSA-N 0 1 298.377 3.604 20 0 CHADMN Cc1cccc(-c2noc(CN3[C@H](C)CCC[C@H]3C)n2)c1 ZINC000591082828 1127285363 /nfs/dbraw/zinc/28/53/63/1127285363.db2.gz RVBDJXHLKDURCM-ZIAGYGMSSA-N 0 1 285.391 3.808 20 0 CHADMN CC[C@@H](NCc1ccc(CSC)cc1)c1ccn(C)n1 ZINC000353986275 1127283190 /nfs/dbraw/zinc/28/31/90/1127283190.db2.gz IDRHPMVQWQZFEC-OAHLLOKOSA-N 0 1 289.448 3.524 20 0 CHADMN CCn1cc(CN[C@H](C)c2cc3ccc(C)cc3o2)cn1 ZINC000353979305 1127283337 /nfs/dbraw/zinc/28/33/37/1127283337.db2.gz QBXXTZBOXFFYPU-CYBMUJFWSA-N 0 1 283.375 3.808 20 0 CHADMN C[C@@H](NCC1(C(F)(F)F)CC1)c1nc2ccccc2n1C ZINC000353988932 1127283570 /nfs/dbraw/zinc/28/35/70/1127283570.db2.gz YTEUKTOLBYPJSI-SNVBAGLBSA-N 0 1 297.324 3.566 20 0 CHADMN CC(C)c1cc(CN2CC[C@@H](O)[C@@H](C)C2)ccc1Cl ZINC001238220959 1131183566 /nfs/dbraw/zinc/18/35/66/1131183566.db2.gz XEOQOOKOVSXJKO-BLLLJJGKSA-N 0 1 281.827 3.666 20 0 CHADMN O=C(C=C(C1CC1)C1CC1)Nc1cc(Cl)c(O)cc1F ZINC000287078844 1127286151 /nfs/dbraw/zinc/28/61/51/1127286151.db2.gz VUVWYISKXPBNIM-UHFFFAOYSA-N 0 1 295.741 3.870 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000287076727 1127286339 /nfs/dbraw/zinc/28/63/39/1127286339.db2.gz VRRZMGKALXRODA-BWPRHRIFSA-N 0 1 283.730 3.559 20 0 CHADMN CC(C)[C@H]1CCC[C@@H](NCc2nccc(C(F)F)n2)C1 ZINC000287108760 1127289018 /nfs/dbraw/zinc/28/90/18/1127289018.db2.gz QLTWRKRSSLIKLH-NWDGAFQWSA-N 0 1 283.366 3.719 20 0 CHADMN CCOc1ccc2c(c1)CCN(Cc1ccsc1)C2 ZINC000354111092 1127294241 /nfs/dbraw/zinc/29/42/41/1127294241.db2.gz RYCFKDAGLXAHLK-UHFFFAOYSA-N 0 1 273.401 3.705 20 0 CHADMN CCc1ccc(CN(Cc2ccccc2)C[C@@H](O)CC)o1 ZINC000354116285 1127294287 /nfs/dbraw/zinc/29/42/87/1127294287.db2.gz KYKBFRGLCUSLQW-INIZCTEOSA-N 0 1 287.403 3.615 20 0 CHADMN CC(C)[C@H](N[C@@H](CCc1ccccc1)C(F)F)C(C)(C)O ZINC000477856249 1127295559 /nfs/dbraw/zinc/29/55/59/1127295559.db2.gz YGGGXSYESPNURV-GJZGRUSLSA-N 0 1 299.405 3.638 20 0 CHADMN COC1CCN(Cc2cc(Cl)c(Cl)cc2C)CC1 ZINC001238261918 1131186899 /nfs/dbraw/zinc/18/68/99/1131186899.db2.gz DYCRLMVSIAMJNM-UHFFFAOYSA-N 0 1 288.218 3.913 20 0 CHADMN CSC[C@@H]1CCCN1Cc1nc2c(s1)C[C@H](C)CC2 ZINC000354096651 1127292036 /nfs/dbraw/zinc/29/20/36/1127292036.db2.gz KKHGSSICRFLINE-NEPJUHHUSA-N 0 1 296.505 3.595 20 0 CHADMN CCOC(=O)c1coc(CN[C@H](C)c2ccc(C)cc2)c1 ZINC000354197987 1127298170 /nfs/dbraw/zinc/29/81/70/1127298170.db2.gz BXJUSHPQADRNHV-CYBMUJFWSA-N 0 1 287.359 3.616 20 0 CHADMN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cnc(Cl)s2)C1 ZINC000166684852 1127302145 /nfs/dbraw/zinc/30/21/45/1127302145.db2.gz OMEGMQMIAYWLCW-UTLUCORTSA-N 0 1 258.818 3.663 20 0 CHADMN OCC[C@H](Nc1ccnc2cc(F)ccc21)c1ccccc1 ZINC000354315741 1127302492 /nfs/dbraw/zinc/30/24/92/1127302492.db2.gz HYNYDWSOSVUMGV-INIZCTEOSA-N 0 1 296.345 3.910 20 0 CHADMN C[C@@H](CC1CCCCC1)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000354340432 1127303832 /nfs/dbraw/zinc/30/38/32/1127303832.db2.gz LKAOGQREPWSGGU-NSHDSACASA-N 0 1 290.411 3.617 20 0 CHADMN C[C@@H](CC1CCCCC1)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000354340432 1127303836 /nfs/dbraw/zinc/30/38/36/1127303836.db2.gz LKAOGQREPWSGGU-NSHDSACASA-N 0 1 290.411 3.617 20 0 CHADMN CCc1cccc(N[C@H](c2c[nH]nn2)c2ccc(F)cc2)c1 ZINC000573271304 1127305361 /nfs/dbraw/zinc/30/53/61/1127305361.db2.gz FFLJTZOBOWRHBS-KRWDZBQOSA-N 0 1 296.349 3.708 20 0 CHADMN CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000573330973 1127306902 /nfs/dbraw/zinc/30/69/02/1127306902.db2.gz HIRVRHHDQCFQCP-LBPRGKRZSA-N 0 1 281.421 3.847 20 0 CHADMN CCCN(CCOC)Cc1ccc(OCC)cc1Cl ZINC001238396465 1131196381 /nfs/dbraw/zinc/19/63/81/1131196381.db2.gz ICMCXZZANCYEHG-UHFFFAOYSA-N 0 1 285.815 3.597 20 0 CHADMN CO[C@H](C)CN(Cc1coc(-c2cccs2)n1)C(C)C ZINC000354450673 1127308941 /nfs/dbraw/zinc/30/89/41/1127308941.db2.gz JVCAVBAHRWPWCK-GFCCVEGCSA-N 0 1 294.420 3.648 20 0 CHADMN CCOc1ccc(CN2CCC[C@H]3C[C@H]32)c(Cl)c1 ZINC001238401828 1131196108 /nfs/dbraw/zinc/19/61/08/1131196108.db2.gz DGMKUTKPZFGJIF-XHDPSFHLSA-N 0 1 265.784 3.723 20 0 CHADMN COc1ccncc1CNC(C)(C)c1cccc(Cl)c1 ZINC000287867311 1127314278 /nfs/dbraw/zinc/31/42/78/1127314278.db2.gz SCFLOBTZKFARIA-UHFFFAOYSA-N 0 1 290.794 3.769 20 0 CHADMN Cc1cccc2c1CC[C@@H]2NCc1nn(C)c2ccccc12 ZINC000591725676 1127314464 /nfs/dbraw/zinc/31/44/64/1127314464.db2.gz SBGVJZKADJLPPG-KRWDZBQOSA-N 0 1 291.398 3.659 20 0 CHADMN C[C@@H]1CCN(Cc2csc(Br)c2)[C@H]1C ZINC000355119429 1127318505 /nfs/dbraw/zinc/31/85/05/1127318505.db2.gz XFERMIVLXYDCQL-BDAKNGLRSA-N 0 1 274.227 3.741 20 0 CHADMN CC(C)(C)c1cnc(CNCC2(C(F)F)CC2)s1 ZINC000355152403 1127321305 /nfs/dbraw/zinc/32/13/05/1127321305.db2.gz JAPKPCQFSQNKPQ-UHFFFAOYSA-N 0 1 274.380 3.576 20 0 CHADMN Cn1ccnc1CN1CCCC[C@@H]1CCCc1ccccc1 ZINC000355197155 1127323969 /nfs/dbraw/zinc/32/39/69/1127323969.db2.gz LKJTXZXDKRIAOB-GOSISDBHSA-N 0 1 297.446 3.798 20 0 CHADMN CO[C@@]1(C)CCCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000355226999 1127326940 /nfs/dbraw/zinc/32/69/40/1127326940.db2.gz VGSFBAQQEWZLHH-INIZCTEOSA-N 0 1 294.464 3.802 20 0 CHADMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000573699746 1127327480 /nfs/dbraw/zinc/32/74/80/1127327480.db2.gz PVOJKBIFSXPXEW-WBMJQRKESA-N 0 1 293.382 3.925 20 0 CHADMN COC1CCN(Cc2cc(Cl)ccc2SC)CC1 ZINC001238673493 1131230157 /nfs/dbraw/zinc/23/01/57/1131230157.db2.gz ZYMHKKWMQPLZDJ-UHFFFAOYSA-N 0 1 285.840 3.673 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(C)c2C)nc1 ZINC000355344705 1127334479 /nfs/dbraw/zinc/33/44/79/1127334479.db2.gz DSIGVEMWNDPGNO-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN CC(C)CC1CCN(Cc2nnc(-c3ccccc3)o2)CC1 ZINC000760927732 1127334633 /nfs/dbraw/zinc/33/46/33/1127334633.db2.gz UDNGANLVSSXIBX-UHFFFAOYSA-N 0 1 299.418 3.995 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(C)c(C)c2)nc1 ZINC000355374622 1127336662 /nfs/dbraw/zinc/33/66/62/1127336662.db2.gz UXWTWVOCZLOTAF-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN C[C@]1(F)CCN(Cc2cccc(-c3ccccn3)c2)C1 ZINC000355369975 1127336766 /nfs/dbraw/zinc/33/67/66/1127336766.db2.gz UJASXCAESBRXFK-KRWDZBQOSA-N 0 1 270.351 3.683 20 0 CHADMN COC(=O)c1ccc(CNC2(c3cccc(C)c3)CCC2)o1 ZINC000592146983 1127337809 /nfs/dbraw/zinc/33/78/09/1127337809.db2.gz XTENXMOEYLNVMZ-UHFFFAOYSA-N 0 1 299.370 3.544 20 0 CHADMN C[C@H]1Oc2ccccc2[C@@H]1NCc1ccc(F)c(F)c1 ZINC000288502523 1127344095 /nfs/dbraw/zinc/34/40/95/1127344095.db2.gz IDYKVFGNAQEQAD-QLJPJBMISA-N 0 1 275.298 3.577 20 0 CHADMN Cc1cc(CN2CCOCC3(CCC3)C2)ccc1Cl ZINC000355507071 1127346562 /nfs/dbraw/zinc/34/65/62/1127346562.db2.gz ISCCXKZABBPCSL-UHFFFAOYSA-N 0 1 279.811 3.651 20 0 CHADMN Cc1cccc2nc(CNC(=O)C3C[C@H](C)C[C@@H](C)C3)[nH]c21 ZINC000355595016 1127352118 /nfs/dbraw/zinc/35/21/18/1127352118.db2.gz FLRUZOLDBZPEHC-VXGBXAGGSA-N 0 1 299.418 3.560 20 0 CHADMN COCC[C@H](Nc1ccnc(C)c1Cl)c1ccc(C)o1 ZINC000355672042 1127357886 /nfs/dbraw/zinc/35/78/86/1127357886.db2.gz MLMGWGSQYRMOME-LBPRGKRZSA-N 0 1 294.782 3.556 20 0 CHADMN Cc1ccc(CN[C@@H]2c3ccccc3O[C@H]2C)s1 ZINC000288701336 1127358240 /nfs/dbraw/zinc/35/82/40/1127358240.db2.gz YMZOKWOQXRJFIK-NHYWBVRUSA-N 0 1 259.374 3.668 20 0 CHADMN Cc1nccc(N2CC3(CCC3)C[C@@H]2C)c1Cl ZINC000355680510 1127359232 /nfs/dbraw/zinc/35/92/32/1127359232.db2.gz ILROUHMHEONGMY-JTQLQIEISA-N 0 1 250.773 3.812 20 0 CHADMN Clc1cnc(CN(CC2CC2)CC2CCC2)s1 ZINC000355737929 1127361702 /nfs/dbraw/zinc/36/17/02/1127361702.db2.gz WBNNASBCZFMEOG-UHFFFAOYSA-N 0 1 270.829 3.809 20 0 CHADMN CC(C)C[C@@H](C)N1CCO[C@H](c2ccsc2)C1 ZINC000355906898 1127367069 /nfs/dbraw/zinc/36/70/69/1127367069.db2.gz NXMVJZATGVYWIW-OCCSQVGLSA-N 0 1 253.411 3.556 20 0 CHADMN Fc1ccc(CN2CCC(F)(c3ccccn3)CC2)cc1 ZINC000289324031 1127380643 /nfs/dbraw/zinc/38/06/43/1127380643.db2.gz KFTJDUMBTJSSMD-UHFFFAOYSA-N 0 1 288.341 3.682 20 0 CHADMN Clc1cc(CN2CCC[C@@H](c3ccncc3)C2)ccn1 ZINC000289353250 1127382658 /nfs/dbraw/zinc/38/26/58/1127382658.db2.gz NEPWSAGEFLYCAT-OAHLLOKOSA-N 0 1 287.794 3.510 20 0 CHADMN CCOc1cccc([C@H](C)NCc2ccoc2C)c1 ZINC000358028642 1127397944 /nfs/dbraw/zinc/39/79/44/1127397944.db2.gz XMHIBQVVEDVGOW-LBPRGKRZSA-N 0 1 259.349 3.838 20 0 CHADMN C[C@H](CC[N@H+]1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000226455596 1127403724 /nfs/dbraw/zinc/40/37/24/1127403724.db2.gz DRRSEKUAJYXALP-CVEARBPZSA-N 0 1 289.419 3.757 20 0 CHADMN Cc1cccc2nc(CN[C@H]3CCCc4sccc43)cn21 ZINC000358151634 1127404859 /nfs/dbraw/zinc/40/48/59/1127404859.db2.gz FIDLEHBUJZFMEM-HNNXBMFYSA-N 0 1 297.427 3.871 20 0 CHADMN FC(F)(F)[C@H]1CCN(Cc2cc(-c3ccccc3)no2)C1 ZINC000761044670 1127405308 /nfs/dbraw/zinc/40/53/08/1127405308.db2.gz LRIGVAKZAJUQLT-LBPRGKRZSA-N 0 1 296.292 3.726 20 0 CHADMN FC(F)(F)[C@@H]1CCN(Cc2cc(-c3ccccc3)no2)C1 ZINC000761044668 1127405497 /nfs/dbraw/zinc/40/54/97/1127405497.db2.gz LRIGVAKZAJUQLT-GFCCVEGCSA-N 0 1 296.292 3.726 20 0 CHADMN C[C@@H]1CCCCCN1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000358241074 1127410437 /nfs/dbraw/zinc/41/04/37/1127410437.db2.gz NQTRRIKSFPTEJN-LLVKDONJSA-N 0 1 289.404 3.543 20 0 CHADMN CC[C@H](N[C@H](C)c1cnccc1C)c1c(C)noc1C ZINC000358353307 1127416997 /nfs/dbraw/zinc/41/69/97/1127416997.db2.gz KFQUHULZRHAERG-ABAIWWIYSA-N 0 1 273.380 3.797 20 0 CHADMN CC(C)c1nnc(CN[C@H](C)CCc2ccccc2)s1 ZINC000358287968 1127413047 /nfs/dbraw/zinc/41/30/47/1127413047.db2.gz MYRMFUQPSXNDHH-CYBMUJFWSA-N 0 1 289.448 3.772 20 0 CHADMN CC(C)Oc1cccc(CN2CC[C@H](C(F)(F)F)C2)c1 ZINC000761058167 1127414662 /nfs/dbraw/zinc/41/46/62/1127414662.db2.gz TVBJXVHOAALSFS-ZDUSSCGKSA-N 0 1 287.325 3.858 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H](c1cccnc1)C1CC1 ZINC000358357494 1127416684 /nfs/dbraw/zinc/41/66/84/1127416684.db2.gz XABAGDJKKIDZCW-UGSOOPFHSA-N 0 1 282.387 3.892 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](c2cccnc2)C2CC2)o1 ZINC000358367568 1127417391 /nfs/dbraw/zinc/41/73/91/1127417391.db2.gz MNSSZMVRQGHOFL-BLLLJJGKSA-N 0 1 256.349 3.785 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN1CCCCC[C@@H]1C ZINC000358416860 1127420430 /nfs/dbraw/zinc/42/04/30/1127420430.db2.gz YBCNHNGQQJBIFW-HNNXBMFYSA-N 0 1 274.408 3.506 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1sccc1OC ZINC000358504863 1127424693 /nfs/dbraw/zinc/42/46/93/1127424693.db2.gz JDNFUJPIYFGRTN-LLVKDONJSA-N 0 1 276.405 3.565 20 0 CHADMN FC(F)(F)c1cccc(CN[C@@H]2CCc3cccnc32)c1 ZINC000226797919 1127427655 /nfs/dbraw/zinc/42/76/55/1127427655.db2.gz VOTPZQUMBVCHDR-CQSZACIVSA-N 0 1 292.304 3.878 20 0 CHADMN C[C@@H](SCc1c[nH]nn1)c1cccc(C(F)(F)F)c1 ZINC000594912418 1127435114 /nfs/dbraw/zinc/43/51/14/1127435114.db2.gz XDJVITVDJLLFNW-MRVPVSSYSA-N 0 1 287.310 3.818 20 0 CHADMN Cc1nc2ccc(COc3ccccc3F)cc2[nH]1 ZINC000358856462 1127436561 /nfs/dbraw/zinc/43/65/61/1127436561.db2.gz WFKUFLCIGIFKLK-UHFFFAOYSA-N 0 1 256.280 3.589 20 0 CHADMN CC(C)[C@H](NCc1cccnc1)c1cc(F)ccc1F ZINC000358921409 1127438931 /nfs/dbraw/zinc/43/89/31/1127438931.db2.gz AIUHXDCQANSTMO-INIZCTEOSA-N 0 1 276.330 3.847 20 0 CHADMN CCC(CC)c1cc(CN[C@@H](C)CSCCF)on1 ZINC000595023983 1127443200 /nfs/dbraw/zinc/44/32/00/1127443200.db2.gz DLTOVNJHGINBIA-NSHDSACASA-N 0 1 288.432 3.759 20 0 CHADMN Cc1cc2[nH]c(CN[C@H](CCO)c3ccco3)cc2c(C)c1 ZINC000359007112 1127444461 /nfs/dbraw/zinc/44/44/61/1127444461.db2.gz UDWJDFDTPRJNKT-MRXNPFEDSA-N 0 1 298.386 3.591 20 0 CHADMN C[C@H](CSCCF)NCc1cc(-c2ccccc2)on1 ZINC000595036562 1127450111 /nfs/dbraw/zinc/45/01/11/1127450111.db2.gz JNUGJRIYYXACNL-GFCCVEGCSA-N 0 1 294.395 3.522 20 0 CHADMN CCc1nc(C)c([C@H](C)N[C@@H](C)c2cncc(F)c2)s1 ZINC000359251357 1127455572 /nfs/dbraw/zinc/45/55/72/1127455572.db2.gz XEIKYGOILVWIFY-UWVGGRQHSA-N 0 1 293.411 3.960 20 0 CHADMN C[C@H](c1cccc(Br)c1)N1CC[C@@H]2C[C@@H]21 ZINC000761096378 1127455861 /nfs/dbraw/zinc/45/58/61/1127455861.db2.gz RKSJMFSQWXAEIY-XWIASGKRSA-N 0 1 266.182 3.604 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1ccco1)[C@@H]2C ZINC000359293058 1127456627 /nfs/dbraw/zinc/45/66/27/1127456627.db2.gz NDCUJJLQTWWMIT-CHWSQXEVSA-N 0 1 271.360 3.796 20 0 CHADMN Cc1ccc(-c2nnc([C@H](C)N3CC[C@H]4C[C@H]43)o2)cc1C ZINC000761096818 1127456644 /nfs/dbraw/zinc/45/66/44/1127456644.db2.gz RCJFGMQUROWZKR-KCQAQPDRSA-N 0 1 283.375 3.509 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000359334601 1127459700 /nfs/dbraw/zinc/45/97/00/1127459700.db2.gz CVSFPIFSMWOZNC-KBPBESRZSA-N 0 1 286.423 3.833 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@H](C)c1cncc(F)c1 ZINC000359351065 1127460230 /nfs/dbraw/zinc/46/02/30/1127460230.db2.gz XZOQAYLGEQBLIU-NEPJUHHUSA-N 0 1 273.355 3.590 20 0 CHADMN CSCC[C@H](C)N(C)Cc1nsc2ccccc12 ZINC000595373711 1127461455 /nfs/dbraw/zinc/46/14/55/1127461455.db2.gz PDUDZMDYDINEFL-NSHDSACASA-N 0 1 280.462 3.870 20 0 CHADMN C[C@@H](CN(C)Cc1noc2c1CCCC2)c1ccccc1 ZINC000595564953 1127465613 /nfs/dbraw/zinc/46/56/13/1127465613.db2.gz WMWPLBPAFKFUOK-AWEZNQCLSA-N 0 1 284.403 3.789 20 0 CHADMN CCN(CCc1cccs1)Cc1noc2c1CCCC2 ZINC000595557631 1127466741 /nfs/dbraw/zinc/46/67/41/1127466741.db2.gz CNOGOEZHUGWWGT-UHFFFAOYSA-N 0 1 290.432 3.680 20 0 CHADMN Cc1nc(C[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)c(C)s1 ZINC000359570099 1127468792 /nfs/dbraw/zinc/46/87/92/1127468792.db2.gz ZINSBAXCSSJOIZ-IAQYHMDHSA-N 0 1 264.438 3.772 20 0 CHADMN CCS[C@@H](C)c1noc(CN[C@H](C)C(C)(C)CC)n1 ZINC000595638628 1127469566 /nfs/dbraw/zinc/46/95/66/1127469566.db2.gz JAEJMSCRNRIZJQ-WDEREUQCSA-N 0 1 285.457 3.798 20 0 CHADMN CC[C@@H](CC(F)(F)F)NCc1nccn1-c1ccccc1 ZINC000359706449 1127474112 /nfs/dbraw/zinc/47/41/12/1127474112.db2.gz MILYKYHRCBIXRQ-LBPRGKRZSA-N 0 1 297.324 3.693 20 0 CHADMN Fc1ccc(CCNCc2occc2Br)cc1 ZINC000227362434 1127473140 /nfs/dbraw/zinc/47/31/40/1127473140.db2.gz JAGZFQBGXFVSRK-UHFFFAOYSA-N 0 1 298.155 3.514 20 0 CHADMN CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc([O-])c(Cl)c2)C1 ZINC000227376938 1127475170 /nfs/dbraw/zinc/47/51/70/1127475170.db2.gz OZXSFBSGEZHVAV-NEPJUHHUSA-N 0 1 285.840 3.809 20 0 CHADMN CC[C@H](N[C@H]1CCCc2occc21)c1c(C)nn(C)c1C ZINC000360055599 1127488505 /nfs/dbraw/zinc/48/85/05/1127488505.db2.gz PEMQLAUBEBPGFA-GJZGRUSLSA-N 0 1 287.407 3.748 20 0 CHADMN Cc1ccc(C(=O)CCN2CCc3ccsc3C2)cc1 ZINC000360130528 1127490344 /nfs/dbraw/zinc/49/03/44/1127490344.db2.gz HXOVYRIIZSGGLK-UHFFFAOYSA-N 0 1 285.412 3.688 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H](CC(C)C)c2ccccc2C)c1C ZINC000360214855 1127492736 /nfs/dbraw/zinc/49/27/36/1127492736.db2.gz XYDIWWFEMMBVDO-INIZCTEOSA-N 0 1 299.418 3.852 20 0 CHADMN CC(C)Cc1noc(CN[C@H]2CCC(C)(C)C[C@H]2C)n1 ZINC000360281306 1127495104 /nfs/dbraw/zinc/49/51/04/1127495104.db2.gz ADHWVQPEGXYPQL-OLZOCXBDSA-N 0 1 279.428 3.573 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)CCc1cccs1 ZINC000360432824 1127498584 /nfs/dbraw/zinc/49/85/84/1127498584.db2.gz AXRHBCLKTAALIM-UHFFFAOYSA-N 0 1 285.372 3.504 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)CCc1ccsc1 ZINC000360429731 1127498701 /nfs/dbraw/zinc/49/87/01/1127498701.db2.gz TUGIVVGPLXHQNZ-UHFFFAOYSA-N 0 1 285.372 3.504 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C[C@H]1CCC[C@@H]1C ZINC000360433167 1127498715 /nfs/dbraw/zinc/49/87/15/1127498715.db2.gz GTFYKPBUJWPRFA-CMPLNLGQSA-N 0 1 271.364 3.636 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2nccs2)CC12CCCCC2 ZINC000360611578 1127502626 /nfs/dbraw/zinc/50/26/26/1127502626.db2.gz NLMVMBRVPSBFHS-ZDUSSCGKSA-N 0 1 264.438 3.935 20 0 CHADMN C[C@H]1CCN(Cc2nccs2)CC12CCCCC2 ZINC000360611578 1127502628 /nfs/dbraw/zinc/50/26/28/1127502628.db2.gz NLMVMBRVPSBFHS-ZDUSSCGKSA-N 0 1 264.438 3.935 20 0 CHADMN CCC(=O)c1cccc(NC(=O)c2cn[nH]c2C(C)(C)C)c1 ZINC000293662115 1127511542 /nfs/dbraw/zinc/51/15/42/1127511542.db2.gz JEGSSPXIUKHQNC-UHFFFAOYSA-N 0 1 299.374 3.552 20 0 CHADMN Oc1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1Cl ZINC001231733682 1127519305 /nfs/dbraw/zinc/51/93/05/1127519305.db2.gz CRVWXQGDPZSMLS-JSGCOSHPSA-N 0 1 265.784 3.810 20 0 CHADMN [O-]c1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1Cl ZINC001231733682 1127519307 /nfs/dbraw/zinc/51/93/07/1127519307.db2.gz CRVWXQGDPZSMLS-JSGCOSHPSA-N 0 1 265.784 3.810 20 0 CHADMN [O-]c1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1Cl ZINC001231733682 1127519310 /nfs/dbraw/zinc/51/93/10/1127519310.db2.gz CRVWXQGDPZSMLS-JSGCOSHPSA-N 0 1 265.784 3.810 20 0 CHADMN Clc1ccsc1CN1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000293768452 1127519455 /nfs/dbraw/zinc/51/94/55/1127519455.db2.gz YJDYXIKACJAOOG-AWEZNQCLSA-N 0 1 297.851 3.793 20 0 CHADMN CCc1noc(C)c1CN1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000360958411 1127523934 /nfs/dbraw/zinc/52/39/34/1127523934.db2.gz TVRHESNILZQZAJ-SJCJKPOMSA-N 0 1 285.391 3.524 20 0 CHADMN Cc1ccsc1CN(C)Cc1cn(C(C)C)nc1C ZINC000361007985 1127528895 /nfs/dbraw/zinc/52/88/95/1127528895.db2.gz COSGPBNCJXJTJB-UHFFFAOYSA-N 0 1 277.437 3.774 20 0 CHADMN CC1(C)CN(Cc2ccccc2)[C@@H]1c1ccncc1 ZINC000293852705 1127526482 /nfs/dbraw/zinc/52/64/82/1127526482.db2.gz HVQSWZQFIFWZFL-MRXNPFEDSA-N 0 1 252.361 3.665 20 0 CHADMN CCOc1ncccc1CN1CCC(C(C)(C)C)CC1 ZINC001231760213 1127526705 /nfs/dbraw/zinc/52/67/05/1127526705.db2.gz GWHUDOKFEYBKNT-UHFFFAOYSA-N 0 1 276.424 3.738 20 0 CHADMN CCO[C@@H]1C[C@@H](Nc2nccc(C)c2C2CC2)[C@H]1SC ZINC000597190588 1127531174 /nfs/dbraw/zinc/53/11/74/1127531174.db2.gz FATVKDILSOANFI-UMVBOHGHSA-N 0 1 292.448 3.588 20 0 CHADMN Oc1ccc2c(c1)C1(CC1)CN(Cc1cccs1)C2 ZINC000361025945 1127531395 /nfs/dbraw/zinc/53/13/95/1127531395.db2.gz QAPLYGRMRXLHRE-UHFFFAOYSA-N 0 1 271.385 3.501 20 0 CHADMN CCc1ncc(CN2CCC[C@H](C(F)(F)F)[C@@H]2C)s1 ZINC000361142536 1127541636 /nfs/dbraw/zinc/54/16/36/1127541636.db2.gz PVTCRXZTDKNPAK-ONGXEEELSA-N 0 1 292.370 3.868 20 0 CHADMN CC[C@@]1(C)COCCN1Cc1cccc(-c2ccncc2)c1 ZINC000361150785 1127542777 /nfs/dbraw/zinc/54/27/77/1127542777.db2.gz BRYFCAFMXKITBN-IBGZPJMESA-N 0 1 296.414 3.750 20 0 CHADMN CCCc1cccc(CN(C)Cc2ccccn2)c1 ZINC000361164994 1127543962 /nfs/dbraw/zinc/54/39/62/1127543962.db2.gz HWUAWNULWJTODV-UHFFFAOYSA-N 0 1 254.377 3.666 20 0 CHADMN FC[C@@H]1CCC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000294114253 1127549853 /nfs/dbraw/zinc/54/98/53/1127549853.db2.gz SULMSZNWXUTNSW-KRWDZBQOSA-N 0 1 270.351 3.683 20 0 CHADMN CC[C@H]1CCCCN1Cc1cncc(C(F)(F)F)c1 ZINC000361281646 1127552787 /nfs/dbraw/zinc/55/27/87/1127552787.db2.gz PPWLOTIGZXZLSG-ZDUSSCGKSA-N 0 1 272.314 3.865 20 0 CHADMN C[C@@H]1CCCCN(Cc2cncc(C(F)(F)F)c2)C1 ZINC000361382440 1127559765 /nfs/dbraw/zinc/55/97/65/1127559765.db2.gz VROOXLWKRYBKMR-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN C[C@H]1CN(Cc2cncc(C(F)(F)F)c2)CC[C@@H]1C ZINC000361348206 1127558780 /nfs/dbraw/zinc/55/87/80/1127558780.db2.gz INVHSMVQNDYBPX-QWRGUYRKSA-N 0 1 272.314 3.578 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1cncc(C(F)(F)F)c1 ZINC000361357225 1127559262 /nfs/dbraw/zinc/55/92/62/1127559262.db2.gz WNGHNRGDVNACHK-GXFFZTMASA-N 0 1 272.314 3.863 20 0 CHADMN Cc1ccncc1CN(C)CCSc1ccc(F)cc1 ZINC000361435552 1127563400 /nfs/dbraw/zinc/56/34/00/1127563400.db2.gz VKAMEXOVWNBVDV-UHFFFAOYSA-N 0 1 290.407 3.753 20 0 CHADMN Cc1cnccc1CN(Cc1cccc(F)c1)C1CC1 ZINC000294499321 1127578114 /nfs/dbraw/zinc/57/81/14/1127578114.db2.gz BBCGEKOBZIEEFH-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(C)ns2)C1 ZINC000602481575 1127583805 /nfs/dbraw/zinc/58/38/05/1127583805.db2.gz GMTJZFNIHLWWTE-NWDGAFQWSA-N 0 1 270.467 3.558 20 0 CHADMN Cc1cnccc1CN(C)Cc1ccc(OC(F)F)cc1 ZINC000294582816 1127584327 /nfs/dbraw/zinc/58/43/27/1127584327.db2.gz QMJMEUOXAJFKBK-UHFFFAOYSA-N 0 1 292.329 3.623 20 0 CHADMN CC[C@H](N[C@@H]1COc2ccc(Cl)cc21)c1ccncc1 ZINC000361762212 1127587865 /nfs/dbraw/zinc/58/78/65/1127587865.db2.gz AAKKQSPOLWPNSA-LSDHHAIUSA-N 0 1 288.778 3.909 20 0 CHADMN Cc1ccc2[nH]c(CN[C@H](C)c3cccs3)nc2c1 ZINC000361813354 1127590478 /nfs/dbraw/zinc/59/04/78/1127590478.db2.gz OCKBVMSDCXNWHW-LLVKDONJSA-N 0 1 271.389 3.784 20 0 CHADMN Cc1ccc2nc(CN[C@H](C)c3cccs3)[nH]c2c1 ZINC000361813354 1127590481 /nfs/dbraw/zinc/59/04/81/1127590481.db2.gz OCKBVMSDCXNWHW-LLVKDONJSA-N 0 1 271.389 3.784 20 0 CHADMN CCO[C@@H]1CCCN([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000602578885 1127595932 /nfs/dbraw/zinc/59/59/32/1127595932.db2.gz NZBCORXMRMSCCL-WCQYABFASA-N 0 1 269.335 3.527 20 0 CHADMN CCO[C@H]1CCCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000602579174 1127596044 /nfs/dbraw/zinc/59/60/44/1127596044.db2.gz XTZNFUDPCZSUFS-AAEUAGOBSA-N 0 1 269.335 3.527 20 0 CHADMN C[C@@H](CN1CC(C)(C)[C@@H]1c1nccn1C)c1ccccc1 ZINC000294795520 1127600048 /nfs/dbraw/zinc/60/00/48/1127600048.db2.gz MIJRZSICBLNMLS-HOCLYGCPSA-N 0 1 283.419 3.607 20 0 CHADMN CCn1ccnc1CNc1cc(C)nc2ccc(F)cc21 ZINC000294908368 1127607766 /nfs/dbraw/zinc/60/77/66/1127607766.db2.gz FMHJYTSEDBEIJA-UHFFFAOYSA-N 0 1 284.338 3.511 20 0 CHADMN CCCCCN(Cc1nc(-c2ccccn2)no1)C(C)C ZINC000362037506 1127607853 /nfs/dbraw/zinc/60/78/53/1127607853.db2.gz IVCSORYXQQJQMS-UHFFFAOYSA-N 0 1 288.395 3.532 20 0 CHADMN Cc1ccsc1CNCc1cccc(C(F)(F)F)n1 ZINC000294930258 1127609532 /nfs/dbraw/zinc/60/95/32/1127609532.db2.gz ZKRHVKPKPJXQEQ-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CCOc1ccc(CN2CCC(SC)CC2)cc1F ZINC000602725783 1127610100 /nfs/dbraw/zinc/61/01/00/1127610100.db2.gz NQTACOMEBDBGTJ-UHFFFAOYSA-N 0 1 283.412 3.552 20 0 CHADMN CC[C@H]1CCC[C@H](NCc2ncc(C(F)(F)F)cn2)C1 ZINC000294962708 1127611130 /nfs/dbraw/zinc/61/11/30/1127611130.db2.gz ILRGGHRUBCCJEY-JQWIXIFHSA-N 0 1 287.329 3.554 20 0 CHADMN CCn1cc([C@H](C)NCc2ccc3occc3c2)cn1 ZINC000294972408 1127611923 /nfs/dbraw/zinc/61/19/23/1127611923.db2.gz XLOLEHNNGRGYOW-LBPRGKRZSA-N 0 1 269.348 3.500 20 0 CHADMN c1nnsc1CN[C@@H](CC1CCC1)c1ccccc1 ZINC000294977199 1127611952 /nfs/dbraw/zinc/61/19/52/1127611952.db2.gz LOVXFZLLSUXCJA-HNNXBMFYSA-N 0 1 273.405 3.559 20 0 CHADMN Cc1ncc(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)s1 ZINC000295043827 1127615652 /nfs/dbraw/zinc/61/56/52/1127615652.db2.gz OWXWRTSIQAKOLO-WCBMZHEXSA-N 0 1 278.343 3.614 20 0 CHADMN CCCc1nc(CN(CCOC)[C@H]2CC[C@@H](C)C2)cs1 ZINC000362153820 1127615665 /nfs/dbraw/zinc/61/56/65/1127615665.db2.gz GDPAPKSXLOPDKT-HIFRSBDPSA-N 0 1 296.480 3.733 20 0 CHADMN CCCC1CCC(N(C)Cc2nccc(C)n2)CC1 ZINC000362161766 1127615959 /nfs/dbraw/zinc/61/59/59/1127615959.db2.gz KKMZSVMQFSQGEN-UHFFFAOYSA-N 0 1 261.413 3.576 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H](C)C(C)(F)F)c2C)o1 ZINC000295001161 1127613239 /nfs/dbraw/zinc/61/32/39/1127613239.db2.gz AUEYJLJMBJMKAN-VIFPVBQESA-N 0 1 297.305 3.516 20 0 CHADMN COCCN(Cc1nc(C2CC2)cs1)[C@@H]1CC[C@H](C)C1 ZINC000362150801 1127615162 /nfs/dbraw/zinc/61/51/62/1127615162.db2.gz QICPFOFRLJXLDM-GXTWGEPZSA-N 0 1 294.464 3.658 20 0 CHADMN Cc1cccc(CN(CCCF)Cc2ccco2)c1 ZINC000362213417 1127619718 /nfs/dbraw/zinc/61/97/18/1127619718.db2.gz HVFDQPQXVRAKFX-UHFFFAOYSA-N 0 1 261.340 3.950 20 0 CHADMN CCCC[C@@H](CC)NCc1ncc(C(F)(F)F)cn1 ZINC000295125149 1127621853 /nfs/dbraw/zinc/62/18/53/1127621853.db2.gz XUJDASAVIHMLCI-LLVKDONJSA-N 0 1 275.318 3.554 20 0 CHADMN C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1cccc(O)c1 ZINC000295141403 1127622568 /nfs/dbraw/zinc/62/25/68/1127622568.db2.gz ZVEXIVMAFYRZJU-CMPLNLGQSA-N 0 1 273.298 3.555 20 0 CHADMN COc1nccc(CN[C@H](CC(C)C)c2ccccc2C)n1 ZINC000295152977 1127623782 /nfs/dbraw/zinc/62/37/82/1127623782.db2.gz JSOHKBLRADRRSZ-QGZVFWFLSA-N 0 1 299.418 3.671 20 0 CHADMN COc1ccnc(Cl)c1CN1CCC[C@H](C)[C@@H](C)C1 ZINC001232152853 1127625816 /nfs/dbraw/zinc/62/58/16/1127625816.db2.gz UJOUHKYGCOCLEL-RYUDHWBXSA-N 0 1 282.815 3.612 20 0 CHADMN COc1ccnc(Cl)c1CN1CCC[C@@H](C)[C@@H](C)C1 ZINC001232152846 1127625954 /nfs/dbraw/zinc/62/59/54/1127625954.db2.gz UJOUHKYGCOCLEL-NEPJUHHUSA-N 0 1 282.815 3.612 20 0 CHADMN Cc1csc(C2(NCc3ccncc3C)CCCC2)n1 ZINC000295193068 1127627087 /nfs/dbraw/zinc/62/70/87/1127627087.db2.gz OEPLYCIEGFKFRR-UHFFFAOYSA-N 0 1 287.432 3.714 20 0 CHADMN Cc1nocc1CN1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000295274569 1127631716 /nfs/dbraw/zinc/63/17/16/1127631716.db2.gz HZPAMGRZTVLSFJ-ZBEGNZNMSA-N 0 1 274.339 3.705 20 0 CHADMN CCSCc1cccc(NC(=O)c2[nH]c(C)nc2C)c1 ZINC000598687039 1127632098 /nfs/dbraw/zinc/63/20/98/1127632098.db2.gz JCOZLCKHFWQMRW-UHFFFAOYSA-N 0 1 289.404 3.532 20 0 CHADMN CCC[C@H](C)N(C)Cc1ncc(CSC)s1 ZINC000295294029 1127632951 /nfs/dbraw/zinc/63/29/51/1127632951.db2.gz JIWXKDXWFPFBGM-JTQLQIEISA-N 0 1 258.456 3.627 20 0 CHADMN CCCc1nc(CN2C[C@@H](C)CC[C@H]2C)cs1 ZINC000362439321 1127635541 /nfs/dbraw/zinc/63/55/41/1127635541.db2.gz ODBAEXZYIAULJQ-NWDGAFQWSA-N 0 1 252.427 3.716 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C1(C(F)(F)F)CCC1 ZINC000295344736 1127636165 /nfs/dbraw/zinc/63/61/65/1127636165.db2.gz IHDAYLOGPIFXTR-UHFFFAOYSA-N 0 1 297.280 3.542 20 0 CHADMN Cc1cnccc1CN[C@H]1CCCOc2c(F)cccc21 ZINC000295344992 1127636319 /nfs/dbraw/zinc/63/63/19/1127636319.db2.gz IDIHSJNNNXRJNR-INIZCTEOSA-N 0 1 286.350 3.533 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1NCc1cc(F)ncc1F ZINC000295393550 1127640613 /nfs/dbraw/zinc/64/06/13/1127640613.db2.gz LNJJPYWMHRRYQW-DIFFPNOSSA-N 0 1 288.341 3.773 20 0 CHADMN CSCc1cnc(CN[C@@H]2CC23CCCCC3)s1 ZINC000598983841 1127649908 /nfs/dbraw/zinc/64/99/08/1127649908.db2.gz WXLPIHACKPZLKF-GFCCVEGCSA-N 0 1 282.478 3.819 20 0 CHADMN FC1(F)CC(CN[C@@H](c2nccs2)c2ccccc2)C1 ZINC000295687685 1127650304 /nfs/dbraw/zinc/65/03/04/1127650304.db2.gz NKEKLYCDFSDAEO-CYBMUJFWSA-N 0 1 294.370 3.867 20 0 CHADMN CC(=O)Nc1cccc(CN[C@@H](C)c2csc(C)c2)c1 ZINC000295828871 1127654172 /nfs/dbraw/zinc/65/41/72/1127654172.db2.gz DTTIZBPOANQHRT-LBPRGKRZSA-N 0 1 288.416 3.866 20 0 CHADMN CC(F)(F)CCNCc1ccnc(Cl)c1Cl ZINC000296019584 1127660371 /nfs/dbraw/zinc/66/03/71/1127660371.db2.gz MIXMMPCMVHRKLF-UHFFFAOYSA-N 0 1 269.122 3.523 20 0 CHADMN Cc1ncsc1CN[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000296062701 1127661983 /nfs/dbraw/zinc/66/19/83/1127661983.db2.gz PJDWNSMMEHVYLV-CQSZACIVSA-N 0 1 294.370 3.897 20 0 CHADMN COc1ccc(OC)c(CN[C@@H](C)c2csc(C)c2)c1 ZINC000296167449 1127664190 /nfs/dbraw/zinc/66/41/90/1127664190.db2.gz XLYHIJOJRLFCHF-LBPRGKRZSA-N 0 1 291.416 3.925 20 0 CHADMN CC(C)CCN[C@H](CCc1ccccc1)C(F)F ZINC001118883573 1131240032 /nfs/dbraw/zinc/24/00/32/1131240032.db2.gz AJUBJJVGDIEXCB-CQSZACIVSA-N 0 1 255.352 3.889 20 0 CHADMN CCC[C@@H]1CCC[C@@H]1NCc1ncc(C(F)(F)F)cn1 ZINC000296409757 1127670761 /nfs/dbraw/zinc/67/07/61/1127670761.db2.gz KURGMUONVYZYTI-PWSUYJOCSA-N 0 1 287.329 3.554 20 0 CHADMN CCC[C@H]1CCC[C@H]1NCc1ncc(C(F)(F)F)cn1 ZINC000296409748 1127670922 /nfs/dbraw/zinc/67/09/22/1127670922.db2.gz KURGMUONVYZYTI-CMPLNLGQSA-N 0 1 287.329 3.554 20 0 CHADMN c1cc2cc(N[C@H]3CCOC4(CCC4)C3)ccc2cn1 ZINC000296520757 1127674807 /nfs/dbraw/zinc/67/48/07/1127674807.db2.gz KSALQKNQYNSHMO-INIZCTEOSA-N 0 1 268.360 3.748 20 0 CHADMN COc1ccc(CN(C)Cc2cccc(C(C)=O)c2)cc1 ZINC000296617648 1127678334 /nfs/dbraw/zinc/67/83/34/1127678334.db2.gz UNUHWHHANXILQJ-UHFFFAOYSA-N 0 1 283.371 3.530 20 0 CHADMN CC(C)=CCC[C@H](C)NC(=O)c1sccc1CN(C)C ZINC000296766847 1127683347 /nfs/dbraw/zinc/68/33/47/1127683347.db2.gz CSDIMKHJSIDLMW-ZDUSSCGKSA-N 0 1 294.464 3.674 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1Cc1nc(C2CC2)no1 ZINC000296640521 1127680009 /nfs/dbraw/zinc/68/00/09/1127680009.db2.gz IIQLTTUMUMNACC-DVOMOZLQSA-N 0 1 297.402 3.714 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2cccc(C)c2F)n[nH]1 ZINC000296966835 1127686638 /nfs/dbraw/zinc/68/66/38/1127686638.db2.gz URJCKSKBITVHIG-ZYHUDNBSSA-N 0 1 290.386 3.617 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H]1CC(C)(C)c2ccccc21 ZINC000296939430 1127686795 /nfs/dbraw/zinc/68/67/95/1127686795.db2.gz QIDIIZJSQGDTED-CJNGLKHVSA-N 0 1 283.419 3.976 20 0 CHADMN CC(C)c1ccccc1OCCN[C@H]1C[C@H](C)n2ccnc21 ZINC000297008949 1127687450 /nfs/dbraw/zinc/68/74/50/1127687450.db2.gz SZQBIZXORMEVKS-HOCLYGCPSA-N 0 1 299.418 3.681 20 0 CHADMN COc1cccc(CN2CCC(OC(C)(C)C)CC2)c1F ZINC000669707651 1127689899 /nfs/dbraw/zinc/68/98/99/1127689899.db2.gz BAVOHMRLMLNHDP-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN Cc1cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc(C)c1OC(C)C ZINC001238753859 1131240273 /nfs/dbraw/zinc/24/02/73/1131240273.db2.gz SSWXNXZSGXJHQH-ULQDDVLXSA-N 0 1 291.410 3.880 20 0 CHADMN CC[C@@H](N[C@H](c1nnc[nH]1)c1ccccc1)c1ccccc1 ZINC000364138229 1127691793 /nfs/dbraw/zinc/69/17/93/1127691793.db2.gz KPLCZPLNNBIPFH-SJORKVTESA-N 0 1 292.386 3.635 20 0 CHADMN CSCCCCCNCc1occc1Br ZINC000229516960 1127692704 /nfs/dbraw/zinc/69/27/04/1127692704.db2.gz ZHOKTDILYXDHKN-UHFFFAOYSA-N 0 1 292.242 3.665 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C3(C(F)(F)F)CCC3)ccc12 ZINC000297421241 1127696340 /nfs/dbraw/zinc/69/63/40/1127696340.db2.gz HEOYZIDCVOTXOP-UHFFFAOYSA-N 0 1 297.280 3.542 20 0 CHADMN Cc1cc(CN2C[C@@H](C)[C@@H](F)C2)cc(C)c1OC(C)C ZINC001238755123 1131240560 /nfs/dbraw/zinc/24/05/60/1131240560.db2.gz NDYIMEOXJSOJIO-ZBFHGGJFSA-N 0 1 279.399 3.880 20 0 CHADMN CCCCC1CCC(CNC(=O)c2[nH]nc(C)c2C)CC1 ZINC000604317396 1127701672 /nfs/dbraw/zinc/70/16/72/1127701672.db2.gz BMSGFUSRAUDDOL-UHFFFAOYSA-N 0 1 291.439 3.753 20 0 CHADMN CN1CCC[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(C)(C)C ZINC000604371758 1127702353 /nfs/dbraw/zinc/70/23/53/1127702353.db2.gz JUVDAKWODFJXFT-CVEARBPZSA-N 0 1 294.483 3.582 20 0 CHADMN Cc1noc([C@@H](C)N[C@@H](CCC(C)C)C(C)(C)C)n1 ZINC000604413819 1127705076 /nfs/dbraw/zinc/70/50/76/1127705076.db2.gz IXQLNTSHKGMFCD-YPMHNXCESA-N 0 1 267.417 3.880 20 0 CHADMN CC(C)[C@H](NCc1cn[nH]c1)c1ccccc1Cl ZINC000604416936 1127705224 /nfs/dbraw/zinc/70/52/24/1127705224.db2.gz QWXBJDBOFYFDOE-AWEZNQCLSA-N 0 1 263.772 3.550 20 0 CHADMN C[C@H]1C[C@H](NCC2(Sc3ccccc3)CC2)c2nccn21 ZINC000297826170 1127709539 /nfs/dbraw/zinc/70/95/39/1127709539.db2.gz RPGXSPVCSZHDHO-ZFWWWQNUSA-N 0 1 299.443 3.803 20 0 CHADMN CC[C@@H](C)Oc1cc(C)ccc1CN[C@H](C)c1cn[nH]c1 ZINC000297826131 1127709669 /nfs/dbraw/zinc/70/96/69/1127709669.db2.gz RONAWIHCDABLJQ-ZIAGYGMSSA-N 0 1 287.407 3.746 20 0 CHADMN CCn1ccnc1[C@@H](C)NC[C@H](C)Sc1ccccc1 ZINC000297861513 1127710482 /nfs/dbraw/zinc/71/04/82/1127710482.db2.gz UBPKBFKQHSTZOG-UONOGXRCSA-N 0 1 289.448 3.734 20 0 CHADMN CC[C@H]1CCCN(Cc2nc(CCC(C)C)no2)CC1 ZINC000604998904 1127725499 /nfs/dbraw/zinc/72/54/99/1127725499.db2.gz PIFXUQACUFIIBH-AWEZNQCLSA-N 0 1 279.428 3.670 20 0 CHADMN CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@H]1c1ccsc1 ZINC000298743503 1127731196 /nfs/dbraw/zinc/73/11/96/1127731196.db2.gz KNAXIZNQNWYROJ-JSGCOSHPSA-N 0 1 294.464 3.578 20 0 CHADMN COc1ccc2c(c1)OCC[C@H]2N[C@H]1CCCc2occc21 ZINC000365733750 1127738079 /nfs/dbraw/zinc/73/80/79/1127738079.db2.gz IPGSNNMUJUIUEF-JKSUJKDBSA-N 0 1 299.370 3.779 20 0 CHADMN C[C@H](Sc1nc(C2CC2)n[nH]1)c1ccc(F)c(F)c1 ZINC000299077904 1127740300 /nfs/dbraw/zinc/74/03/00/1127740300.db2.gz QYBIJRJZYWXJBQ-ZETCQYMHSA-N 0 1 281.331 3.814 20 0 CHADMN C[C@H](Sc1n[nH]c(C2CC2)n1)c1ccc(F)c(F)c1 ZINC000299077904 1127740302 /nfs/dbraw/zinc/74/03/02/1127740302.db2.gz QYBIJRJZYWXJBQ-ZETCQYMHSA-N 0 1 281.331 3.814 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@H](c3ccc(C)cc3)C2)s1 ZINC000367273538 1127751867 /nfs/dbraw/zinc/75/18/67/1127751867.db2.gz DTJKRVDWYQCKML-WFASDCNBSA-N 0 1 287.432 3.705 20 0 CHADMN c1[nH]nc2c1[C@H](NCc1ccccc1OC1CCC1)CCC2 ZINC000367625532 1127754634 /nfs/dbraw/zinc/75/46/34/1127754634.db2.gz YOJMCLWIBWZAHI-MRXNPFEDSA-N 0 1 297.402 3.508 20 0 CHADMN C[C@H]1CN(Cc2c(Cl)ccnc2F)CCC[C@@H]1C ZINC001232614049 1127758362 /nfs/dbraw/zinc/75/83/62/1127758362.db2.gz AVQPOLKRHYBRHF-QWRGUYRKSA-N 0 1 270.779 3.742 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1C(=O)c1[nH]nc2ccccc21 ZINC000606377839 1127760728 /nfs/dbraw/zinc/76/07/28/1127760728.db2.gz KUIDOSQECKHLHT-SWLSCSKDSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1ccc(C2(NCc3cnc(Cl)cn3)CCC2)cc1 ZINC000830817378 1127762250 /nfs/dbraw/zinc/76/22/50/1127762250.db2.gz YCBDRLSQLONCOU-UHFFFAOYSA-N 0 1 287.794 3.607 20 0 CHADMN C[C@@H]1c2ccc(F)cc2CCN1Cc1ccccc1 ZINC000606448699 1127763006 /nfs/dbraw/zinc/76/30/06/1127763006.db2.gz FCQHSVJYHVEVQD-CYBMUJFWSA-N 0 1 255.336 3.945 20 0 CHADMN CCN(CC(=O)Nc1cccc(C(C)C)c1)C1CCC1 ZINC000606434746 1127763430 /nfs/dbraw/zinc/76/34/30/1127763430.db2.gz VGTHINGEAIJHGU-UHFFFAOYSA-N 0 1 274.408 3.623 20 0 CHADMN CC(C)n1ccc(CN2CCC3(CCCC3)CC2)n1 ZINC000606454096 1127764154 /nfs/dbraw/zinc/76/41/54/1127764154.db2.gz KHDWMEHFHWEGNT-UHFFFAOYSA-N 0 1 261.413 3.620 20 0 CHADMN CC(C)n1cc(CN2CCC[C@@H](Oc3ccccc3)C2)cn1 ZINC000371413506 1127765795 /nfs/dbraw/zinc/76/57/95/1127765795.db2.gz UTTSLAAVVNCHTQ-GOSISDBHSA-N 0 1 299.418 3.507 20 0 CHADMN CC(C)(C)CCC(=O)Nc1cccc(Cl)c1O ZINC000606533234 1127766619 /nfs/dbraw/zinc/76/66/19/1127766619.db2.gz NNOODYOEEYAQIQ-UHFFFAOYSA-N 0 1 255.745 3.810 20 0 CHADMN CC(C)(C)c1noc(CN2CCC[C@H]3CCCC[C@@H]32)n1 ZINC000409446290 1127768409 /nfs/dbraw/zinc/76/84/09/1127768409.db2.gz UANLNRUTVKRCRY-OLZOCXBDSA-N 0 1 277.412 3.522 20 0 CHADMN CC(C)(C)c1cnc(CN2C[C@@H]3CCCC[C@H]3C2)o1 ZINC000409445762 1127769374 /nfs/dbraw/zinc/76/93/74/1127769374.db2.gz ZNXYGQAGZRVXKF-STQMWFEESA-N 0 1 262.397 3.594 20 0 CHADMN CC[C@H]1CCCN(Cc2ncc(C(C)(C)C)o2)C1 ZINC000409445136 1127770452 /nfs/dbraw/zinc/77/04/52/1127770452.db2.gz BEHKFEGPRSBTEG-LBPRGKRZSA-N 0 1 250.386 3.594 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000062877147 1127780282 /nfs/dbraw/zinc/78/02/82/1127780282.db2.gz KGZOHTGAEHLHBM-GOSISDBHSA-N 0 1 289.419 3.689 20 0 CHADMN Brc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)[nH]1 ZINC001232688639 1127785699 /nfs/dbraw/zinc/78/56/99/1127785699.db2.gz XXZKNNQQEGGUOQ-JQWIXIFHSA-N 0 1 283.213 3.542 20 0 CHADMN COc1ccccc1CN(C)CCOC1CCCCCC1 ZINC000607150364 1127792653 /nfs/dbraw/zinc/79/26/53/1127792653.db2.gz YZQQJSJSMAOGAE-UHFFFAOYSA-N 0 1 291.435 3.866 20 0 CHADMN c1cc(CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)no1 ZINC000607150871 1127793415 /nfs/dbraw/zinc/79/34/15/1127793415.db2.gz HCBWLGRURPCFNW-CQSZACIVSA-N 0 1 281.359 3.536 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(C)Cc1ncc(Cl)n1C ZINC000172928904 1127794838 /nfs/dbraw/zinc/79/48/38/1127794838.db2.gz BNZOHIKWWHKOOB-AWEZNQCLSA-N 0 1 291.826 3.527 20 0 CHADMN C[C@@H](NCCC(F)(F)F)c1nc2ccccc2s1 ZINC000063098743 1127795508 /nfs/dbraw/zinc/79/55/08/1127795508.db2.gz AFUAFHCRWSRRQL-MRVPVSSYSA-N 0 1 274.311 3.899 20 0 CHADMN S=c1[nH]ccn1CN1CCC2(CCCCC2)CC1 ZINC000173336200 1127819040 /nfs/dbraw/zinc/81/90/40/1127819040.db2.gz PBQFFWWAABWDOW-UHFFFAOYSA-N 0 1 265.426 3.549 20 0 CHADMN CCc1cc(=O)n(Cc2ccc(Cl)cc2Cl)[nH]1 ZINC001245916973 1131241230 /nfs/dbraw/zinc/24/12/30/1131241230.db2.gz CTGQFOYPRPTZDZ-UHFFFAOYSA-N 0 1 271.147 3.506 20 0 CHADMN C[C@H]1C[C@H](C)[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000607735553 1127820642 /nfs/dbraw/zinc/82/06/42/1127820642.db2.gz MFOFFTVRBGQHQZ-RYUDHWBXSA-N 0 1 274.339 3.711 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CN(C)Cc3ccccc32)c(C)o1 ZINC000373054561 1127820750 /nfs/dbraw/zinc/82/07/50/1127820750.db2.gz HWBJGGAYJQMBGO-FZKQIMNGSA-N 0 1 284.403 3.734 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N(Cc2nc(-c3cccs3)no2)C1 ZINC000607742621 1127822019 /nfs/dbraw/zinc/82/20/19/1127822019.db2.gz WIAJUTXKYKAHIO-VXGBXAGGSA-N 0 1 291.420 3.809 20 0 CHADMN c1cc(-c2nc(CN3CCCC34CCC4)cs2)co1 ZINC000373102212 1127822811 /nfs/dbraw/zinc/82/28/11/1127822811.db2.gz ZHDPTOCNTNJJRB-UHFFFAOYSA-N 0 1 274.389 3.922 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCC[C@@H](C)[C@@H]2C)n1 ZINC000607740603 1127823218 /nfs/dbraw/zinc/82/32/18/1127823218.db2.gz CRKSDXKWDCZHHK-OCCSQVGLSA-N 0 1 285.391 3.665 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)[C@@H]1CCOC1)c1nccs1 ZINC000373163275 1127826581 /nfs/dbraw/zinc/82/65/81/1127826581.db2.gz HWMPSGNWVXIVPF-NWANDNLSSA-N 0 1 288.416 3.572 20 0 CHADMN Cc1c(Cl)nccc1CN(C)CCOc1ccccc1 ZINC001232752329 1127836770 /nfs/dbraw/zinc/83/67/70/1127836770.db2.gz GQRZNZDHGDZYQJ-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN CCCCC[C@@H](NCc1cnns1)c1ccccc1 ZINC000296409361 1129222466 /nfs/dbraw/zinc/22/24/66/1129222466.db2.gz WNCSXVYJBCDSLB-OAHLLOKOSA-N 0 1 275.421 3.949 20 0 CHADMN CN(CCC1(O)CCC1)Cc1cccc(Cl)c1Cl ZINC000411122533 1127841561 /nfs/dbraw/zinc/84/15/61/1127841561.db2.gz AMYWTIWLAZTMBY-UHFFFAOYSA-N 0 1 288.218 3.730 20 0 CHADMN CCCN(Cc1ccc(F)cc1)[C@H](C)c1cnc(C)cn1 ZINC000411203807 1127847039 /nfs/dbraw/zinc/84/70/39/1127847039.db2.gz SQIHOHNTFCIUJD-CQSZACIVSA-N 0 1 287.382 3.897 20 0 CHADMN Cc1cnc([C@H](NCc2[nH]nc3ccccc32)C2CC2)s1 ZINC000608062333 1127843270 /nfs/dbraw/zinc/84/32/70/1127843270.db2.gz DRHCDGFMVYEKCK-OAHLLOKOSA-N 0 1 298.415 3.569 20 0 CHADMN CC[C@@H](C)CC(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000373617071 1127852992 /nfs/dbraw/zinc/85/29/92/1127852992.db2.gz ZBCYPXPHNWNYDQ-GFCCVEGCSA-N 0 1 272.392 3.539 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cccc([O-])c2Cl)C[C@H]1C ZINC001232784583 1127853026 /nfs/dbraw/zinc/85/30/26/1127853026.db2.gz PQVIRUZWOBMQGD-NWDGAFQWSA-N 0 1 267.800 3.914 20 0 CHADMN CCOCc1ccc(NCc2ccc3nc[nH]c3c2)cc1 ZINC000608385895 1127864343 /nfs/dbraw/zinc/86/43/43/1127864343.db2.gz WZKSNODXAKGINP-UHFFFAOYSA-N 0 1 281.359 3.712 20 0 CHADMN FC(F)(F)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](CCC2CC2)C1 ZINC000608493177 1127869930 /nfs/dbraw/zinc/86/99/30/1127869930.db2.gz LGEGWOPYFBQGKV-AOOOYVTPSA-N 0 1 289.263 3.849 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@@](C)(c3ccccc3)CC2)[nH]1 ZINC000411715510 1127870155 /nfs/dbraw/zinc/87/01/55/1127870155.db2.gz CGDMSQHSDLBTOT-KBXCAEBGSA-N 0 1 298.434 3.618 20 0 CHADMN Fc1cccc(-n2ccc(C[N@H+]3CCC[C@@H]4CCC[C@H]43)n2)c1 ZINC000608499254 1127871379 /nfs/dbraw/zinc/87/13/79/1127871379.db2.gz UAUMUYVKOQGZPM-KBXCAEBGSA-N 0 1 299.393 3.776 20 0 CHADMN Fc1cccc(-n2ccc(CN3CCC[C@@H]4CCC[C@H]43)n2)c1 ZINC000608499254 1127871384 /nfs/dbraw/zinc/87/13/84/1127871384.db2.gz UAUMUYVKOQGZPM-KBXCAEBGSA-N 0 1 299.393 3.776 20 0 CHADMN CCOc1ccccc1CN1C2CCCC1CCC2 ZINC000608499156 1127871694 /nfs/dbraw/zinc/87/16/94/1127871694.db2.gz BFGQAEXRQCZCEO-UHFFFAOYSA-N 0 1 259.393 3.992 20 0 CHADMN Cc1cccc(-c2noc(CN3C4CCCC3CCC4)n2)c1 ZINC000608499512 1127871954 /nfs/dbraw/zinc/87/19/54/1127871954.db2.gz MZVVXMUWOQQJPD-UHFFFAOYSA-N 0 1 297.402 3.952 20 0 CHADMN O=C(CN1C2CCCC1CCC2)Nc1ccc(Cl)cc1 ZINC000608564886 1127877508 /nfs/dbraw/zinc/87/75/08/1127877508.db2.gz GJAXSTYNBDRSRL-UHFFFAOYSA-N 0 1 292.810 3.686 20 0 CHADMN O[C@@H]1C[C@H](c2ccccc2)N(Cc2sccc2Cl)C1 ZINC000411926092 1127879226 /nfs/dbraw/zinc/87/92/26/1127879226.db2.gz OTYMNYZZSACCQX-TZMCWYRMSA-N 0 1 293.819 3.709 20 0 CHADMN O[C@@H]1C[C@H](c2ccccc2)N(Cc2ccc(Cl)cc2)C1 ZINC000411950657 1127881783 /nfs/dbraw/zinc/88/17/83/1127881783.db2.gz RFEOPCTZGGYKCW-IAGOWNOFSA-N 0 1 287.790 3.648 20 0 CHADMN c1nc(CN2C[C@@H](c3ccccc3)C3(CCC3)C2)cs1 ZINC000411989187 1127885306 /nfs/dbraw/zinc/88/53/06/1127885306.db2.gz REYHFLFZFWOZAI-INIZCTEOSA-N 0 1 284.428 3.913 20 0 CHADMN CCN(CCC(=O)c1ccccc1)Cc1occc1C ZINC000412024613 1127888953 /nfs/dbraw/zinc/88/89/53/1127888953.db2.gz GAYIOBHYSYDFDM-UHFFFAOYSA-N 0 1 271.360 3.683 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC(C)(C)C[C@H]2C)c(F)c1 ZINC000412036862 1127889855 /nfs/dbraw/zinc/88/98/55/1127889855.db2.gz HGEXCLSQNYDHHH-OLZOCXBDSA-N 0 1 292.398 3.582 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2CC(C)(C)C[C@H]2C)c(F)c1 ZINC000412036862 1127889859 /nfs/dbraw/zinc/88/98/59/1127889859.db2.gz HGEXCLSQNYDHHH-OLZOCXBDSA-N 0 1 292.398 3.582 20 0 CHADMN C[C@@H](NC[C@@H](C)c1cccc(Cl)c1)c1csnn1 ZINC000412048349 1127892566 /nfs/dbraw/zinc/89/25/66/1127892566.db2.gz XIRUGXRGGKZTCX-NXEZZACHSA-N 0 1 281.812 3.646 20 0 CHADMN C[C@@H]1CC(C)(C)CN1Cc1cc(C(C)(C)C)on1 ZINC000412039468 1127892965 /nfs/dbraw/zinc/89/29/65/1127892965.db2.gz JRASRKJNVKTCEM-LLVKDONJSA-N 0 1 250.386 3.593 20 0 CHADMN C[C@H](c1nc(Cc2ccccc2)no1)N1CC(C)(C)C[C@H]1C ZINC000412039985 1127893915 /nfs/dbraw/zinc/89/39/15/1127893915.db2.gz JXXOSJAIRKFGRZ-ZIAGYGMSSA-N 0 1 299.418 3.842 20 0 CHADMN Fc1ccc(CN2C[C@@H]3CCC[C@H]3C2)c(Cl)c1F ZINC001232874573 1127894542 /nfs/dbraw/zinc/89/45/42/1127894542.db2.gz WTDUPDLBCDDQEC-UWVGGRQHSA-N 0 1 271.738 3.850 20 0 CHADMN CCC[C@H](CC(C)C)c1nc(C2(N)CCCC2)no1 ZINC000308068168 1127894583 /nfs/dbraw/zinc/89/45/83/1127894583.db2.gz ZIABZVDIEMELMH-GFCCVEGCSA-N 0 1 265.401 3.727 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N(C)[C@H](C)C(C)(C)C)o1 ZINC000622050095 1129223399 /nfs/dbraw/zinc/22/33/99/1129223399.db2.gz WPIVSOGKGDWDLQ-CYBMUJFWSA-N 0 1 294.439 3.628 20 0 CHADMN CCn1ccnc1CN1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000374501344 1127901337 /nfs/dbraw/zinc/90/13/37/1127901337.db2.gz DNQIQWHIRZSLQT-BCDXTJNWSA-N 0 1 295.430 3.814 20 0 CHADMN FC(F)(F)[C@@H]1CC[N@@H+](C/C=C/Cl)CC12CCC2 ZINC000374571278 1127904742 /nfs/dbraw/zinc/90/47/42/1127904742.db2.gz PWCKNSHZVJJNSP-GCEAOBNSSA-N 0 1 267.722 3.793 20 0 CHADMN FC(F)(F)[C@@H]1CCN(C/C=C/Cl)CC12CCC2 ZINC000374571278 1127904746 /nfs/dbraw/zinc/90/47/46/1127904746.db2.gz PWCKNSHZVJJNSP-GCEAOBNSSA-N 0 1 267.722 3.793 20 0 CHADMN Cc1oc([C@@H](C)[N@H+]2CC[C@H](C)C(C)(C)C2)cc1C(=O)[O-] ZINC000517750630 1127906164 /nfs/dbraw/zinc/90/61/64/1127906164.db2.gz QHNSVNNSZWNRST-WDEREUQCSA-N 0 1 279.380 3.715 20 0 CHADMN C[C@H](c1cccnc1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000374639661 1127907162 /nfs/dbraw/zinc/90/71/62/1127907162.db2.gz VFTFPTJCCPSRRE-PBHICJAKSA-N 0 1 270.351 3.713 20 0 CHADMN CCOC(=O)c1ccsc1CN1CC[C@H](C)C[C@@H]1C ZINC001233020746 1127910421 /nfs/dbraw/zinc/91/04/21/1127910421.db2.gz QRSQFGYDHWXXNF-RYUDHWBXSA-N 0 1 281.421 3.545 20 0 CHADMN O=C(Nc1cccc2c1CN(C1CC1)C2)c1ccccc1F ZINC000374837384 1127915388 /nfs/dbraw/zinc/91/53/88/1127915388.db2.gz IXZXOLOFDNXSJF-UHFFFAOYSA-N 0 1 296.345 3.556 20 0 CHADMN COCC1(N[C@@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000539651754 1127934344 /nfs/dbraw/zinc/93/43/44/1127934344.db2.gz SYCKMSTUIYBRPN-VIFPVBQESA-N 0 1 274.191 3.823 20 0 CHADMN c1ccc2cc(SCC[N@H+]3CCCOCC3)ccc2c1 ZINC000412980935 1127935124 /nfs/dbraw/zinc/93/51/24/1127935124.db2.gz FSQPYYFYIVUYDQ-UHFFFAOYSA-N 0 1 287.428 3.654 20 0 CHADMN CCCCn1c(C)c(C)nc1S[C@@H](C)c1n[nH]c(C)n1 ZINC000412988508 1127935609 /nfs/dbraw/zinc/93/56/09/1127935609.db2.gz LDSFDBPSGASEKX-NSHDSACASA-N 0 1 293.440 3.580 20 0 CHADMN C/C(=C/c1ccccc1)CN1CCOC2(CCCC2)C1 ZINC000539816846 1127942129 /nfs/dbraw/zinc/94/21/29/1127942129.db2.gz HJASYEXCCPWYPO-SSZFMOIBSA-N 0 1 271.404 3.735 20 0 CHADMN CSc1ccccc1NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000413102080 1127942705 /nfs/dbraw/zinc/94/27/05/1127942705.db2.gz VACZBSHZYYBEDV-AVGNSLFASA-N 0 1 292.448 3.608 20 0 CHADMN C[C@@H]1CC2(CCC2)C[N@H+]1Cc1nccn1Cc1ccccc1 ZINC000375406664 1127943464 /nfs/dbraw/zinc/94/34/64/1127943464.db2.gz UAJNDBXCEYGHBJ-MRXNPFEDSA-N 0 1 295.430 3.696 20 0 CHADMN C[C@@H]1CC2(CCC2)CN1Cc1nccn1Cc1ccccc1 ZINC000375406664 1127943467 /nfs/dbraw/zinc/94/34/67/1127943467.db2.gz UAJNDBXCEYGHBJ-MRXNPFEDSA-N 0 1 295.430 3.696 20 0 CHADMN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCOC1 ZINC000539839592 1127945046 /nfs/dbraw/zinc/94/50/46/1127945046.db2.gz UUDIUPXMGKUTJY-AWEZNQCLSA-N 0 1 291.778 3.821 20 0 CHADMN COc1ccc2c(c1)CCCN(Cc1ccc(C)o1)C2 ZINC000539839154 1127948740 /nfs/dbraw/zinc/94/87/40/1127948740.db2.gz JCWWTSHZDLKBMK-UHFFFAOYSA-N 0 1 271.360 3.545 20 0 CHADMN CCCCN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000543871050 1127950770 /nfs/dbraw/zinc/95/07/70/1127950770.db2.gz VREZTGQGMFBDJR-AWEZNQCLSA-N 0 1 287.325 3.879 20 0 CHADMN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1ccc(Cl)o1 ZINC000539897588 1127952724 /nfs/dbraw/zinc/95/27/24/1127952724.db2.gz CXFFXWUDBRJHIG-ABAIWWIYSA-N 0 1 291.778 3.757 20 0 CHADMN Clc1cccc2ncc(CN3CCC34CCCC4)n21 ZINC001233356590 1127956652 /nfs/dbraw/zinc/95/66/52/1127956652.db2.gz RSROYUOCABYSQT-UHFFFAOYSA-N 0 1 275.783 3.506 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1Cc1cccc(-c2ccccn2)c1 ZINC000505628617 1127958484 /nfs/dbraw/zinc/95/84/84/1127958484.db2.gz AKPJJFHDAGXDEF-CRAIPNDOSA-N 0 1 296.414 3.748 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1CC(=O)Nc1ccc(C)cc1Cl ZINC000467204988 1127958833 /nfs/dbraw/zinc/95/88/33/1127958833.db2.gz DXPDRXYWWCHMDL-CHWSQXEVSA-N 0 1 294.826 3.707 20 0 CHADMN C[C@@H](c1ccc(C(C)(C)C)cc1)N1CCc2n[nH]cc2C1 ZINC000540244583 1127971434 /nfs/dbraw/zinc/97/14/34/1127971434.db2.gz ARWLJSZRIFYBQG-ZDUSSCGKSA-N 0 1 283.419 3.827 20 0 CHADMN C[C@@H](NCCCOc1cccc2ccccc21)c1ccon1 ZINC000544550630 1127976051 /nfs/dbraw/zinc/97/60/51/1127976051.db2.gz ZDTIPYBZJWPEAM-CQSZACIVSA-N 0 1 296.370 3.948 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2ccccc21)c1ccn(C)n1 ZINC000544579016 1127977731 /nfs/dbraw/zinc/97/77/31/1127977731.db2.gz KKFNCGSLYVXFPC-JKSUJKDBSA-N 0 1 269.392 3.538 20 0 CHADMN CCC(F)(F)C(C)(C)CN[C@H](C)c1cscn1 ZINC000623563719 1127981021 /nfs/dbraw/zinc/98/10/21/1127981021.db2.gz IIRSPAOMBKXURK-SECBINFHSA-N 0 1 262.369 3.865 20 0 CHADMN CCN(CCC1CC1)CC(=O)Nc1ccc(F)cc1Cl ZINC000544897105 1127988725 /nfs/dbraw/zinc/98/87/25/1127988725.db2.gz DGFPMRDCZBAAQQ-UHFFFAOYSA-N 0 1 298.789 3.540 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@H]1COc2ccc(F)cc21 ZINC000468049930 1127989650 /nfs/dbraw/zinc/98/96/50/1127989650.db2.gz KNCQATQSGALLAW-GWCFXTLKSA-N 0 1 277.364 3.980 20 0 CHADMN Cc1ccsc1[C@@H](C)N[C@@H]1COc2ccc(F)cc21 ZINC000468049933 1127989773 /nfs/dbraw/zinc/98/97/73/1127989773.db2.gz KNCQATQSGALLAW-ZWNOBZJWSA-N 0 1 277.364 3.980 20 0 CHADMN CC[C@@]1(C)CCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000468148307 1127994811 /nfs/dbraw/zinc/99/48/11/1127994811.db2.gz VIVYGOFQQQXHHH-HNNXBMFYSA-N 0 1 262.328 3.589 20 0 CHADMN COCC1(N[C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000540750265 1127993713 /nfs/dbraw/zinc/99/37/13/1127993713.db2.gz BVTMPUGNCOSWIJ-QMMMGPOBSA-N 0 1 292.181 3.962 20 0 CHADMN C(=Cc1ccccc1)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000545025083 1127996504 /nfs/dbraw/zinc/99/65/04/1127996504.db2.gz RAEBEMYDTXKKPM-TWGQIWQCSA-N 0 1 288.310 3.783 20 0 CHADMN CC[C@@H](NCc1ccc(F)c(C)c1)c1ccc(F)cn1 ZINC000491303903 1128005203 /nfs/dbraw/zinc/00/52/03/1128005203.db2.gz IBZXNUONWCAKHT-OAHLLOKOSA-N 0 1 276.330 3.909 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1)C1CC1 ZINC000405950182 1128008870 /nfs/dbraw/zinc/00/88/70/1128008870.db2.gz FLSGUUFLVWQZEG-CQSZACIVSA-N 0 1 281.440 3.636 20 0 CHADMN CCC1(CC)CN(Cc2cnn(C(C)(C)C)c2)CCS1 ZINC000468544181 1128011299 /nfs/dbraw/zinc/01/12/99/1128011299.db2.gz RHFFJPBPCWROAU-UHFFFAOYSA-N 0 1 295.496 3.746 20 0 CHADMN CCCCc1noc([C@H](C)N2C[C@@H](C)CC(C)(C)C2)n1 ZINC000541317867 1128017075 /nfs/dbraw/zinc/01/70/75/1128017075.db2.gz DRFBMRFSXROBLU-STQMWFEESA-N 0 1 279.428 3.841 20 0 CHADMN COC(C)(C)CCN(C)[C@H](C)c1c(F)cccc1F ZINC000468911507 1128027724 /nfs/dbraw/zinc/02/77/24/1128027724.db2.gz JQOYHLNFOVTJGK-LLVKDONJSA-N 0 1 271.351 3.773 20 0 CHADMN Cc1ccc([C@H](NCc2cccn2C)C2CCC2)o1 ZINC000541732308 1128035752 /nfs/dbraw/zinc/03/57/52/1128035752.db2.gz KINPPIRYPJHCKO-MRXNPFEDSA-N 0 1 258.365 3.558 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@H](C)CCC(C)(C)C)c1 ZINC000541708239 1128034844 /nfs/dbraw/zinc/03/48/44/1128034844.db2.gz WEPYDZIUYVYKFB-LLVKDONJSA-N 0 1 291.391 3.996 20 0 CHADMN Cc1ccc(CN(C)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000302835699 1128042203 /nfs/dbraw/zinc/04/22/03/1128042203.db2.gz ARZCURIQXZMVND-UHFFFAOYSA-N 0 1 291.398 3.813 20 0 CHADMN C[C@@H](C1CCCCC1)N(C)C(=O)c1[nH]nc2ccccc21 ZINC000470386174 1128039523 /nfs/dbraw/zinc/03/95/23/1128039523.db2.gz HRNGUSDEQSRYRH-LBPRGKRZSA-N 0 1 285.391 3.604 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(CCC(F)(F)F)[C@@H]2C ZINC000541949555 1128044736 /nfs/dbraw/zinc/04/47/36/1128044736.db2.gz WDBIRJYYAXJDKM-WDEREUQCSA-N 0 1 287.325 3.955 20 0 CHADMN COCCN1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000469510968 1128045933 /nfs/dbraw/zinc/04/59/33/1128045933.db2.gz URLPKOYXSDIFEN-CQSZACIVSA-N 0 1 287.325 3.879 20 0 CHADMN COc1cccc2c1CC[N@H+]([C@@H](C)c1cccc(F)c1)C2 ZINC000542014166 1128047875 /nfs/dbraw/zinc/04/78/75/1128047875.db2.gz ZKOUPHULRGSSFW-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN COc1cccc2c1CCN([C@@H](C)c1cccc(F)c1)C2 ZINC000542014166 1128047879 /nfs/dbraw/zinc/04/78/79/1128047879.db2.gz ZKOUPHULRGSSFW-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN Cc1ccc(C[N@@H+]2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1Cl ZINC000232750003 1128050620 /nfs/dbraw/zinc/05/06/20/1128050620.db2.gz YIAULUYZQKUVRU-INIZCTEOSA-N 0 1 295.810 3.581 20 0 CHADMN CCc1cnc(C[N@@H+](C)[C@@H](C)Cc2ccsc2)s1 ZINC000542164808 1128053373 /nfs/dbraw/zinc/05/33/73/1128053373.db2.gz UNZIPRHHWAIRCR-NSHDSACASA-N 0 1 280.462 3.830 20 0 CHADMN CCc1cnc(CN(C)[C@@H](C)Cc2ccsc2)s1 ZINC000542164808 1128053377 /nfs/dbraw/zinc/05/33/77/1128053377.db2.gz UNZIPRHHWAIRCR-NSHDSACASA-N 0 1 280.462 3.830 20 0 CHADMN CO[C@@H]1[C@H](C)[C@H](N[C@H](C)c2csc(C(C)C)n2)C1(C)C ZINC000469783071 1128053447 /nfs/dbraw/zinc/05/34/47/1128053447.db2.gz JEVLWMIOJFWMCY-MHDGFBEUSA-N 0 1 296.480 3.977 20 0 CHADMN CN(Cc1ccsc1)C[C@@H]1CCC2(CCCC2)O1 ZINC000669927367 1128056419 /nfs/dbraw/zinc/05/64/19/1128056419.db2.gz HJDHPTVNVUFSCZ-AWEZNQCLSA-N 0 1 265.422 3.672 20 0 CHADMN C[C@@H]1CN(Cc2cc(-c3ccco3)on2)CC(C)(C)C1 ZINC000542244242 1128058637 /nfs/dbraw/zinc/05/86/37/1128058637.db2.gz OXKSBBDBMVVAJT-LBPRGKRZSA-N 0 1 274.364 3.803 20 0 CHADMN C[C@H]1CC[C@H](N(C)C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000469951908 1128059357 /nfs/dbraw/zinc/05/93/57/1128059357.db2.gz CXDONUZJYOTMMA-JSGCOSHPSA-N 0 1 289.423 3.718 20 0 CHADMN COc1ccc(CNC(C)(C)c2ccc(C(C)C)cc2)nn1 ZINC000669931576 1128064961 /nfs/dbraw/zinc/06/49/61/1128064961.db2.gz DYKKQTLACCNANB-UHFFFAOYSA-N 0 1 299.418 3.634 20 0 CHADMN CC(C)c1ccc(CCN[C@H](C)c2ccon2)cc1 ZINC000470314180 1128068457 /nfs/dbraw/zinc/06/84/57/1128068457.db2.gz RBOIAESJGYZWGE-CYBMUJFWSA-N 0 1 258.365 3.691 20 0 CHADMN CCCC(C)(C)CC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000470338321 1128069097 /nfs/dbraw/zinc/06/90/97/1128069097.db2.gz SCXVMSHVIPFDAF-UHFFFAOYSA-N 0 1 293.455 3.882 20 0 CHADMN CCCC[C@H](CC)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000470353363 1128069665 /nfs/dbraw/zinc/06/96/65/1128069665.db2.gz UHWXAVMDORZCHG-ZDUSSCGKSA-N 0 1 293.455 3.882 20 0 CHADMN CC(C)c1nc(CN(C)C2C[C@@H](C)O[C@H](C)C2)cs1 ZINC001257099882 1128070398 /nfs/dbraw/zinc/07/03/98/1128070398.db2.gz UPGLRXMIJHBMMR-VXGBXAGGSA-N 0 1 282.453 3.654 20 0 CHADMN CC[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000303516138 1128070641 /nfs/dbraw/zinc/07/06/41/1128070641.db2.gz XYZJQFRSCUDQCX-RYUDHWBXSA-N 0 1 282.815 3.645 20 0 CHADMN CC[C@@H]1CN(Cc2cccc(C(F)F)c2)CCS1 ZINC000470779143 1128077250 /nfs/dbraw/zinc/07/72/50/1128077250.db2.gz KGHCEBPTHJGOEJ-CYBMUJFWSA-N 0 1 271.376 3.952 20 0 CHADMN Cc1nc(C)c(CN(C)CCOc2ccc(C)cc2)s1 ZINC000172738989 1128074698 /nfs/dbraw/zinc/07/46/98/1128074698.db2.gz RYYMCBIDGLGWAZ-UHFFFAOYSA-N 0 1 290.432 3.579 20 0 CHADMN COc1cccc(CN2CCSC[C@H]2c2ccccc2)c1 ZINC000303622694 1128075211 /nfs/dbraw/zinc/07/52/11/1128075211.db2.gz DHWXVGGVPLKJLI-SFHVURJKSA-N 0 1 299.439 3.985 20 0 CHADMN F[C@@]1(c2ccccc2)CC[N@@H+](CCCc2ccncc2)C1 ZINC000669942848 1128080949 /nfs/dbraw/zinc/08/09/49/1128080949.db2.gz PEPUNQWNUOPSIW-SFHVURJKSA-N 0 1 284.378 3.585 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000470910060 1128081390 /nfs/dbraw/zinc/08/13/90/1128081390.db2.gz WPVQVNAREWSBTK-JCURWCKSSA-N 0 1 277.383 3.776 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCN1CCC(=O)c1ccccc1 ZINC000470939245 1128082036 /nfs/dbraw/zinc/08/20/36/1128082036.db2.gz DBJQQJARFQKJRF-AAEUAGOBSA-N 0 1 285.309 3.532 20 0 CHADMN Cc1noc([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)n1 ZINC000669944729 1128084956 /nfs/dbraw/zinc/08/49/56/1128084956.db2.gz QJVKWGXXCMYKOF-SJWGOKEGSA-N 0 1 297.402 3.850 20 0 CHADMN Cc1noc([C@H](C)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)n1 ZINC000669944729 1128084958 /nfs/dbraw/zinc/08/49/58/1128084958.db2.gz QJVKWGXXCMYKOF-SJWGOKEGSA-N 0 1 297.402 3.850 20 0 CHADMN Cc1ccc(-c2noc([C@H]3CCCN3C(C)C)n2)s1 ZINC000924091995 1128089815 /nfs/dbraw/zinc/08/98/15/1128089815.db2.gz YOHKVLFNWIAYHD-LLVKDONJSA-N 0 1 277.393 3.652 20 0 CHADMN CC(C)c1ccoc1-c1noc([C@H]2CCCN2C(C)C)n1 ZINC000924079249 1128089924 /nfs/dbraw/zinc/08/99/24/1128089924.db2.gz ROVAHWSHQNLEAS-CYBMUJFWSA-N 0 1 289.379 3.998 20 0 CHADMN CC(C)N1CCC[C@H]1c1nc(-c2cc3ccccc3[nH]2)no1 ZINC000924428133 1128100887 /nfs/dbraw/zinc/10/08/87/1128100887.db2.gz JFSMQOMRXIYMAX-HNNXBMFYSA-N 0 1 296.374 3.763 20 0 CHADMN Cc1ccc(-c2noc([C@@H](C)N3CCC[C@@H]3C)n2)cc1F ZINC000174416077 1128101734 /nfs/dbraw/zinc/10/17/34/1128101734.db2.gz KVTLWIXXKFSYBM-NWDGAFQWSA-N 0 1 289.354 3.729 20 0 CHADMN Clc1ccnc2c1CC[C@@H]2N[C@H]1CCc2ccccc21 ZINC000924590674 1128106112 /nfs/dbraw/zinc/10/61/12/1128106112.db2.gz RYRZNZLXIISCAY-HOTGVXAUSA-N 0 1 284.790 3.999 20 0 CHADMN Cc1cccc(CN[C@H](C)c2cc(O)cc(F)c2)c1 ZINC000924597718 1128106217 /nfs/dbraw/zinc/10/62/17/1128106217.db2.gz SLOVMQFGPHVHBQ-GFCCVEGCSA-N 0 1 259.324 3.691 20 0 CHADMN Clc1ccnc2c1CC[C@H]2N[C@@H]1CCc2ccccc21 ZINC000924590675 1128106561 /nfs/dbraw/zinc/10/65/61/1128106561.db2.gz RYRZNZLXIISCAY-HZPDHXFCSA-N 0 1 284.790 3.999 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2ccnnc2)c(C)s1 ZINC000924602833 1128106918 /nfs/dbraw/zinc/10/69/18/1128106918.db2.gz OLLDMBTTYNNIIY-MNOVXSKESA-N 0 1 261.394 3.567 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2cccc3c2OCO3)c1 ZINC000924690525 1128109847 /nfs/dbraw/zinc/10/98/47/1128109847.db2.gz SJMWQISMUCQQTF-CYBMUJFWSA-N 0 1 299.370 3.665 20 0 CHADMN CCOCCN[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000924697671 1128109999 /nfs/dbraw/zinc/10/99/99/1128109999.db2.gz KLSSUBYMYTUCSN-IBGZPJMESA-N 0 1 298.430 3.921 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)C1CCCCC1)c1cnn(C)n1 ZINC000924814766 1128113774 /nfs/dbraw/zinc/11/37/74/1128113774.db2.gz OWTQTQSZBGNMSM-KBXCAEBGSA-N 0 1 298.434 3.787 20 0 CHADMN COc1cc(CN[C@H](C)c2cccc3c2OCO3)ccc1C ZINC000924833247 1128114387 /nfs/dbraw/zinc/11/43/87/1128114387.db2.gz YHSNVFYZWMZYII-CYBMUJFWSA-N 0 1 299.370 3.583 20 0 CHADMN CCCCC[C@@H](N[C@@H](C)c1cnnn1C)c1ccccc1 ZINC000924929386 1128116966 /nfs/dbraw/zinc/11/69/66/1128116966.db2.gz FWOFNBLQFOSXRX-GOEBONIOSA-N 0 1 286.423 3.787 20 0 CHADMN C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1cn(C)cn1 ZINC000924945214 1128117486 /nfs/dbraw/zinc/11/74/86/1128117486.db2.gz DFENIYAONSUFBV-PXAZEXFGSA-N 0 1 287.382 3.751 20 0 CHADMN Cc1[nH]c2c(cc(C)cc2CN[C@@H](C)c2cn(C)cn2)c1C ZINC000924959037 1128118015 /nfs/dbraw/zinc/11/80/15/1128118015.db2.gz JDHLYPLHZWYRPM-AWEZNQCLSA-N 0 1 296.418 3.677 20 0 CHADMN CCc1cc(CN[C@H](C)c2coc3ccccc23)[nH]n1 ZINC000925057297 1128119859 /nfs/dbraw/zinc/11/98/59/1128119859.db2.gz FCIXBQIUHHJFGS-LLVKDONJSA-N 0 1 269.348 3.569 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@H](C)c2cc(O)cc(F)c2)cn1 ZINC000925048263 1128120010 /nfs/dbraw/zinc/12/00/10/1128120010.db2.gz BMMBVBWOYWMLKE-NEPJUHHUSA-N 0 1 291.370 3.721 20 0 CHADMN C[C@H](CCC1CCCCC1)N[C@H](C)c1cc(CO)on1 ZINC000925072100 1128120620 /nfs/dbraw/zinc/12/06/20/1128120620.db2.gz QXRVUHYQRTYQFD-CHWSQXEVSA-N 0 1 280.412 3.567 20 0 CHADMN CC[C@@H](N[C@H]1CCc2c1nccc2Cl)c1ccncc1 ZINC000925128817 1128122782 /nfs/dbraw/zinc/12/27/82/1128122782.db2.gz GPABIOOYENJGIB-CABCVRRESA-N 0 1 287.794 3.858 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C=CC1CCCC1 ZINC000493084304 1128123052 /nfs/dbraw/zinc/12/30/52/1128123052.db2.gz AQZSGPBMGZALCI-SREVYHEPSA-N 0 1 269.348 3.556 20 0 CHADMN COc1ccc([C@@H](C)CCN[C@H](C)c2ncco2)cc1 ZINC000925143419 1128123818 /nfs/dbraw/zinc/12/38/18/1128123818.db2.gz ZWWKUTFVASJTED-QWHCGFSZSA-N 0 1 274.364 3.528 20 0 CHADMN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc2n[nH]cc21 ZINC000493185269 1128127260 /nfs/dbraw/zinc/12/72/60/1128127260.db2.gz XUXUJGJHGCMMMK-CHWSQXEVSA-N 0 1 299.418 3.850 20 0 CHADMN C[C@@H](N[C@@H]1CCC(C)(C)c2ccccc21)c1cn(C)cn1 ZINC000925352945 1128128080 /nfs/dbraw/zinc/12/80/80/1128128080.db2.gz RYDZBYLXZQVFRV-CZUORRHYSA-N 0 1 283.419 3.883 20 0 CHADMN Cc1ccc2c(ccnc2NC[C@H]2CC(C)(C)O2)c1 ZINC001168450236 1128131098 /nfs/dbraw/zinc/13/10/98/1128131098.db2.gz JZIIXOCQYCPTIU-CYBMUJFWSA-N 0 1 256.349 3.523 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1cc2ccccc2[nH]1 ZINC000925549874 1128132007 /nfs/dbraw/zinc/13/20/07/1128132007.db2.gz JPLWPEULPADOQG-IAQYHMDHSA-N 0 1 280.375 3.619 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c(Cl)ccnc21)c1ccc[nH]1 ZINC000925643339 1128135387 /nfs/dbraw/zinc/13/53/87/1128135387.db2.gz FPPJCTKMNBKFPL-QMTHXVAHSA-N 0 1 275.783 3.791 20 0 CHADMN COc1cc(C)cc(CN[C@@H](C)c2cccc3c2OCO3)c1 ZINC000925603530 1128134288 /nfs/dbraw/zinc/13/42/88/1128134288.db2.gz OAPNUKBMWJDFOI-ZDUSSCGKSA-N 0 1 299.370 3.583 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1csc(C(F)(F)F)c1 ZINC000925635289 1128134920 /nfs/dbraw/zinc/13/49/20/1128134920.db2.gz PRBMHJRXACAZGV-SFYZADRCSA-N 0 1 289.326 3.902 20 0 CHADMN CCCN(CC1CCCCC1)C(=O)c1cccc2c[nH]nc21 ZINC000493343546 1128140015 /nfs/dbraw/zinc/14/00/15/1128140015.db2.gz DDEDNSYFDOGOOT-UHFFFAOYSA-N 0 1 299.418 3.995 20 0 CHADMN COc1cc([C@H](C)N[C@@H]2c3ccccc3CC[C@@H]2C)on1 ZINC000925658822 1128136152 /nfs/dbraw/zinc/13/61/52/1128136152.db2.gz VPWAJTXXAQXUKZ-PRXAMGSTSA-N 0 1 286.375 3.657 20 0 CHADMN COc1cc([C@H](C)N[C@H]2c3ccccc3CC[C@@H]2C)on1 ZINC000925658820 1128136411 /nfs/dbraw/zinc/13/64/11/1128136411.db2.gz VPWAJTXXAQXUKZ-NVGCLXPQSA-N 0 1 286.375 3.657 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)/C=C\C(C)(C)C)c1 ZINC000493608581 1128145815 /nfs/dbraw/zinc/14/58/15/1128145815.db2.gz AAADXMXMKPMOPA-HJWRWDBZSA-N 0 1 275.348 3.526 20 0 CHADMN C[C@@H](NC1(c2ccc(Cl)cc2)CCC1)c1ccnnc1 ZINC000925776936 1128142276 /nfs/dbraw/zinc/14/22/76/1128142276.db2.gz BEFFMBGNLJPGBE-GFCCVEGCSA-N 0 1 287.794 3.860 20 0 CHADMN Cc1ccc(C2(N[C@H](C)Cc3cccc(F)c3)COC2)cc1 ZINC001168459998 1128152497 /nfs/dbraw/zinc/15/24/97/1128152497.db2.gz PJWUKJRXPTXIJJ-OAHLLOKOSA-N 0 1 299.389 3.580 20 0 CHADMN CN(C)Cc1ccc(NC2C[C@H]3CC[C@@H](C2)S3)cc1F ZINC000926099825 1128154685 /nfs/dbraw/zinc/15/46/85/1128154685.db2.gz BEGYGMKTPZJGAD-GOOCMWNKSA-N 0 1 294.439 3.726 20 0 CHADMN C[C@@H](N[C@H](C)c1cncc(F)c1)c1ccnn1C1CCC1 ZINC000926126347 1128155791 /nfs/dbraw/zinc/15/57/91/1128155791.db2.gz CEBNYNGMGNDPRE-VXGBXAGGSA-N 0 1 288.370 3.554 20 0 CHADMN Clc1cnc(CNC2CC3(C2)CCCC3)s1 ZINC000926829372 1128196856 /nfs/dbraw/zinc/19/68/56/1128196856.db2.gz MWJAUGKNQVWWFZ-UHFFFAOYSA-N 0 1 256.802 3.609 20 0 CHADMN CC(C)(C)c1nc(CN2CCCC[C@H]2c2ccccc2)n[nH]1 ZINC000432867712 1128158143 /nfs/dbraw/zinc/15/81/43/1128158143.db2.gz WNCSHINJVDTPHG-HNNXBMFYSA-N 0 1 298.434 3.829 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2CCC[C@@H]1C)c1cn(C)cn1 ZINC000926177458 1128158801 /nfs/dbraw/zinc/15/88/01/1128158801.db2.gz LHENWFBKBOOGMK-DEYYWGMASA-N 0 1 283.419 3.784 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccco1)c1cc2ccccc2[nH]1 ZINC000926198189 1128159779 /nfs/dbraw/zinc/15/97/79/1128159779.db2.gz UDBNEYGNGUCEPR-IUODEOHRSA-N 0 1 284.359 3.535 20 0 CHADMN CC(C)(C)OCc1cc(CNC2CC3(C2)CCCC3)no1 ZINC000926216503 1128161243 /nfs/dbraw/zinc/16/12/43/1128161243.db2.gz JXXGEMVAHCIWOZ-UHFFFAOYSA-N 0 1 292.423 3.802 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2N[C@H](CC(F)(F)F)C(C)C ZINC000926238101 1128162345 /nfs/dbraw/zinc/16/23/45/1128162345.db2.gz VXNACTWQOGWXIZ-GHMZBOCLSA-N 0 1 290.329 3.927 20 0 CHADMN C=CC[C@H](C(=O)Nc1cc(C#N)ccc1O)c1ccccc1 ZINC000187331758 1128164534 /nfs/dbraw/zinc/16/45/34/1128164534.db2.gz AQAGJBQQJMMHSQ-HNNXBMFYSA-N 0 1 292.338 3.562 20 0 CHADMN Cc1cscc1CN[C@H](C)c1cc(O)cc(F)c1 ZINC000926303872 1128165616 /nfs/dbraw/zinc/16/56/16/1128165616.db2.gz PSMJIQUFHORYTK-SNVBAGLBSA-N 0 1 265.353 3.752 20 0 CHADMN Cc1cscc1CN[C@@H](C)c1ccnn1C1CCC1 ZINC000926302265 1128165753 /nfs/dbraw/zinc/16/57/53/1128165753.db2.gz JGPLGUPOLRKEGG-LBPRGKRZSA-N 0 1 275.421 3.829 20 0 CHADMN CSc1ccc([C@@H](C)N[C@@H](C)c2ccnnc2)cc1 ZINC000926354333 1128168755 /nfs/dbraw/zinc/16/87/55/1128168755.db2.gz SHXWJFRPKBTAKM-NEPJUHHUSA-N 0 1 273.405 3.610 20 0 CHADMN C[C@@H](NCC1CC(c2ccccc2)C1)c1ncco1 ZINC000926373597 1128169989 /nfs/dbraw/zinc/16/99/89/1128169989.db2.gz XCDGCCZZBXVFHZ-DNOWBOINSA-N 0 1 256.349 3.519 20 0 CHADMN C[C@@H](NC[C@H](c1ccccc1)C1CC1)c1ncco1 ZINC000926478335 1128174291 /nfs/dbraw/zinc/17/42/91/1128174291.db2.gz KAOJBHKGIKBKLS-IUODEOHRSA-N 0 1 256.349 3.519 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnnc1)c1cccc(C2CC2)c1 ZINC000926493629 1128175438 /nfs/dbraw/zinc/17/54/38/1128175438.db2.gz WWRGVIKGLULRHK-OLZOCXBDSA-N 0 1 267.376 3.766 20 0 CHADMN CC(C)c1nc(CN[C@H](C)c2coc3ccccc23)n[nH]1 ZINC000926505598 1128176248 /nfs/dbraw/zinc/17/62/48/1128176248.db2.gz IGKSWTAPCVZPTJ-LLVKDONJSA-N 0 1 284.363 3.525 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccc1C(F)(F)F)c1cn[nH]c1 ZINC000222466554 1128177486 /nfs/dbraw/zinc/17/74/86/1128177486.db2.gz UYNYFCMAHFDNDQ-NXEZZACHSA-N 0 1 283.297 3.840 20 0 CHADMN CSCc1cc(F)ccc1CNCc1cncc(F)c1 ZINC000494560849 1128178074 /nfs/dbraw/zinc/17/80/74/1128178074.db2.gz BYNQCXMCFYNTHX-UHFFFAOYSA-N 0 1 294.370 3.513 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2NC[C@@]1(C)CC1(Cl)Cl ZINC000926522200 1128178483 /nfs/dbraw/zinc/17/84/83/1128178483.db2.gz XQWLBPADRHWEAK-BXKDBHETSA-N 0 1 289.206 3.534 20 0 CHADMN Cc1csc(CN[C@@H](C)c2cccc3c2OCO3)c1 ZINC000926521885 1128178735 /nfs/dbraw/zinc/17/87/35/1128178735.db2.gz ULFKVMNDIOQAPL-NSHDSACASA-N 0 1 275.373 3.636 20 0 CHADMN CC[C@H](NCc1cccc(C)n1)c1ccc2c(c1)CCCO2 ZINC000153085552 1128179246 /nfs/dbraw/zinc/17/92/46/1128179246.db2.gz ITULZZYKXRMKSA-SFHVURJKSA-N 0 1 296.414 3.956 20 0 CHADMN C[C@H](COc1ccccc1)NCc1ccsc1Cl ZINC000699298401 1128198134 /nfs/dbraw/zinc/19/81/34/1128198134.db2.gz OZGAPVPZUCXFQL-LLVKDONJSA-N 0 1 281.808 3.959 20 0 CHADMN C[C@@H](COc1ccccc1)NCc1ccsc1Cl ZINC000699298403 1128198198 /nfs/dbraw/zinc/19/81/98/1128198198.db2.gz OZGAPVPZUCXFQL-NSHDSACASA-N 0 1 281.808 3.959 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H](C)c2cccc(C)c2)c1 ZINC000926555450 1128180638 /nfs/dbraw/zinc/18/06/38/1128180638.db2.gz OGMHKGQDLWEAHQ-KBPBESRZSA-N 0 1 270.376 3.810 20 0 CHADMN COc1ccnc([C@@H](C)N[C@H](C)c2cccc(C)c2)c1 ZINC000926555453 1128180685 /nfs/dbraw/zinc/18/06/85/1128180685.db2.gz OGMHKGQDLWEAHQ-ZIAGYGMSSA-N 0 1 270.376 3.810 20 0 CHADMN CCC[C@@H](N[C@H]1COC2(CCC2)C1)c1ncccc1Cl ZINC000926695847 1128188747 /nfs/dbraw/zinc/18/87/47/1128188747.db2.gz DQZGKSOPFPYCIN-TZMCWYRMSA-N 0 1 294.826 3.877 20 0 CHADMN CCSC1(CN[C@@H]2COCc3cccc(Cl)c32)CC1 ZINC000926710274 1128189331 /nfs/dbraw/zinc/18/93/31/1128189331.db2.gz PIBXNJXZLBISGH-CYBMUJFWSA-N 0 1 297.851 3.787 20 0 CHADMN C(c1nnc(C2CC2)s1)N1CCC[C@H]1CC1CCCC1 ZINC000653892657 1128190514 /nfs/dbraw/zinc/19/05/14/1128190514.db2.gz LYQWCYYNVPBSSQ-AWEZNQCLSA-N 0 1 291.464 3.960 20 0 CHADMN Cc1cccc2c1[C@H](NCc1cc(C3CC3)no1)CC2 ZINC000926868331 1128199300 /nfs/dbraw/zinc/19/93/00/1128199300.db2.gz HRDPYEHMMHCLEH-OAHLLOKOSA-N 0 1 268.360 3.638 20 0 CHADMN C[C@@H](NCc1cccc2[nH]ccc21)c1cn2c(n1)CCCC2 ZINC000926812183 1128196485 /nfs/dbraw/zinc/19/64/85/1128196485.db2.gz HMVSCBXUQUMOMI-CYBMUJFWSA-N 0 1 294.402 3.552 20 0 CHADMN COc1ccccc1[C@H](NC[C@@H]1C=CCC1)c1ccccn1 ZINC000926836800 1128196785 /nfs/dbraw/zinc/19/67/85/1128196785.db2.gz JWHOTIJHCQVGPV-BEFAXECRSA-N 0 1 294.398 3.735 20 0 CHADMN CC[C@@H](Nc1ccc(CN(C)C)c(F)c1)C1CCOCC1 ZINC000777700774 1128247098 /nfs/dbraw/zinc/24/70/98/1128247098.db2.gz IPKNWNDLHFQUEH-QGZVFWFLSA-N 0 1 294.414 3.504 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2ccccc2CF)on1 ZINC000929290165 1128268588 /nfs/dbraw/zinc/26/85/88/1128268588.db2.gz VZOVJOLCVAUFFW-HNNXBMFYSA-N 0 1 274.339 3.790 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC[C@@](C)(F)C1 ZINC001168482562 1128252653 /nfs/dbraw/zinc/25/26/53/1128252653.db2.gz XSNHHVZMJAMEIS-SWLSCSKDSA-N 0 1 253.336 3.581 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)N1CCC[C@@](C)(F)C1 ZINC001168482562 1128252654 /nfs/dbraw/zinc/25/26/54/1128252654.db2.gz XSNHHVZMJAMEIS-SWLSCSKDSA-N 0 1 253.336 3.581 20 0 CHADMN COC[C@@H](NCc1ccc(CF)cc1)c1ccccc1 ZINC000777719953 1128254833 /nfs/dbraw/zinc/25/48/33/1128254833.db2.gz GRABPRLAALHIQC-QGZVFWFLSA-N 0 1 273.351 3.633 20 0 CHADMN c1cc2c(s1)CCN(C[C@@H]1CCCC3(CCC3)O1)C2 ZINC000929198747 1128263775 /nfs/dbraw/zinc/26/37/75/1128263775.db2.gz JEHCYIXCNFKZLZ-AWEZNQCLSA-N 0 1 277.433 3.598 20 0 CHADMN c1cc2c(s1)CCN(C[C@H]1CCCC3(CCC3)O1)C2 ZINC000929198748 1128264229 /nfs/dbraw/zinc/26/42/29/1128264229.db2.gz JEHCYIXCNFKZLZ-CQSZACIVSA-N 0 1 277.433 3.598 20 0 CHADMN Cc1cn(C)nc1CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000929205182 1128264242 /nfs/dbraw/zinc/26/42/42/1128264242.db2.gz QBCNUPUSZQOJTN-MRXNPFEDSA-N 0 1 291.826 3.869 20 0 CHADMN Cc1ccc([C@H]2CCN(Cc3nnc(C(C)(C)C)o3)C2)cc1 ZINC000784473951 1128205383 /nfs/dbraw/zinc/20/53/83/1128205383.db2.gz DNDVETDFPNIRDY-HNNXBMFYSA-N 0 1 299.418 3.665 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1ncc(C)cc1C ZINC000926954845 1128205722 /nfs/dbraw/zinc/20/57/22/1128205722.db2.gz NTZRFIJZSFGUQU-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)C(=O)c1cc(C(C)C)[nH]n1 ZINC000494856892 1128206151 /nfs/dbraw/zinc/20/61/51/1128206151.db2.gz CRXUEZFAEBYCNO-UVTDQMKNSA-N 0 1 297.402 3.709 20 0 CHADMN C(=C\c1ccncc1)\C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000494927132 1128213278 /nfs/dbraw/zinc/21/32/78/1128213278.db2.gz YHOVNFOHBGKOHK-UTSMFGRCSA-N 0 1 293.414 3.671 20 0 CHADMN CCOCCN(CC)Cc1cccc(Cl)c1OCC ZINC000494934606 1128214303 /nfs/dbraw/zinc/21/43/03/1128214303.db2.gz GMDUTOUVAULYDE-UHFFFAOYSA-N 0 1 285.815 3.597 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1ccc(F)cc1F)c1cnn(C)c1 ZINC000927066158 1128214405 /nfs/dbraw/zinc/21/44/05/1128214405.db2.gz LCMOHNSKFWCSHR-MEDUHNTESA-N 0 1 293.361 3.746 20 0 CHADMN Oc1cccc2c1CCC[C@H]2N[C@H]1CCCc2cccnc21 ZINC000927064432 1128214456 /nfs/dbraw/zinc/21/44/56/1128214456.db2.gz UBBTYAGKQXGUKL-SJORKVTESA-N 0 1 294.398 3.832 20 0 CHADMN CCOc1c(Cl)cccc1CN1CCC[C@@H](COC)C1 ZINC000494927662 1128214568 /nfs/dbraw/zinc/21/45/68/1128214568.db2.gz CIJNQLQLVKDJLT-CYBMUJFWSA-N 0 1 297.826 3.597 20 0 CHADMN CN(C)c1ccc(CN2CCC[C@H]2c2cccc(F)c2)cn1 ZINC000153513638 1128217315 /nfs/dbraw/zinc/21/73/15/1128217315.db2.gz ATGBMNTZTHDCSO-KRWDZBQOSA-N 0 1 299.393 3.624 20 0 CHADMN CCOc1c(Cl)cccc1CN1CCC[C@H]1C ZINC000494964417 1128217853 /nfs/dbraw/zinc/21/78/53/1128217853.db2.gz PDVDHGNKNCSZNI-LLVKDONJSA-N 0 1 253.773 3.723 20 0 CHADMN C(=C/c1ccncc1)\CN1CCCC[C@H]1c1ccco1 ZINC000494964053 1128218263 /nfs/dbraw/zinc/21/82/63/1128218263.db2.gz LWSLPUURPPLZTJ-WMHVBEDNSA-N 0 1 268.360 3.915 20 0 CHADMN FC(F)C1CCN(Cc2cc(Cl)cs2)CC1 ZINC000494983309 1128219042 /nfs/dbraw/zinc/21/90/42/1128219042.db2.gz ATQOQAVEQRMGNY-UHFFFAOYSA-N 0 1 265.756 3.879 20 0 CHADMN CCc1onc(C)c1CN[C@H](C)c1sccc1C ZINC000927136727 1128221699 /nfs/dbraw/zinc/22/16/99/1128221699.db2.gz DUYPAWJPRGMOBR-LLVKDONJSA-N 0 1 264.394 3.766 20 0 CHADMN CCc1onc(C)c1CN[C@@H]1CCc2cccc(C)c21 ZINC000927134722 1128221748 /nfs/dbraw/zinc/22/17/48/1128221748.db2.gz MQEJIQJAGMSNQY-OAHLLOKOSA-N 0 1 270.376 3.631 20 0 CHADMN CCOc1c(Cl)cccc1CN1CC[C@H](C)C1 ZINC000495001097 1128221771 /nfs/dbraw/zinc/22/17/71/1128221771.db2.gz WJJJRVYAGQQCIJ-NSHDSACASA-N 0 1 253.773 3.581 20 0 CHADMN CCc1nc(C)c([C@H](C)NCc2c(C)noc2CC)s1 ZINC000927141213 1128221960 /nfs/dbraw/zinc/22/19/60/1128221960.db2.gz VVERDLGWWHLEIC-JTQLQIEISA-N 0 1 293.436 3.724 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2c3ccccc3CC[C@H]2O)c(C)o1 ZINC000927142233 1128222062 /nfs/dbraw/zinc/22/20/62/1128222062.db2.gz ZTSKXWOJODFBRL-PJSAGSTRSA-N 0 1 285.387 3.595 20 0 CHADMN CCc1onc(C)c1CN[C@@H](C)c1ccc(F)c(C)c1 ZINC000927141803 1128222280 /nfs/dbraw/zinc/22/22/80/1128222280.db2.gz YGZNFFANNSLPIM-NSHDSACASA-N 0 1 276.355 3.844 20 0 CHADMN CCCC[C@H](NCc1cnc(C)cn1)c1ccc(OC)cc1 ZINC001168475691 1128224214 /nfs/dbraw/zinc/22/42/14/1128224214.db2.gz OZUDFQXRURILQE-SFHVURJKSA-N 0 1 299.418 3.815 20 0 CHADMN C[N@@H+](Cc1cc(Cl)cs1)Cc1ccc2c(c1)OCO2 ZINC000495058955 1128226505 /nfs/dbraw/zinc/22/65/05/1128226505.db2.gz LEGCDDWQCOOADD-UHFFFAOYSA-N 0 1 295.791 3.762 20 0 CHADMN CN(Cc1cc(Cl)cs1)Cc1ccc2c(c1)OCO2 ZINC000495058955 1128226507 /nfs/dbraw/zinc/22/65/07/1128226507.db2.gz LEGCDDWQCOOADD-UHFFFAOYSA-N 0 1 295.791 3.762 20 0 CHADMN C[C@H](c1c(F)cccc1F)N(C)C[C@@H]1CCSC1 ZINC000495090465 1128230424 /nfs/dbraw/zinc/23/04/24/1128230424.db2.gz IDJAFBXGFJDZCJ-MNOVXSKESA-N 0 1 271.376 3.711 20 0 CHADMN CC[C@H]1c2ccsc2CCN1Cc1cc(C)nnc1C ZINC000929274644 1128267541 /nfs/dbraw/zinc/26/75/41/1128267541.db2.gz ZIHROGXCRWJPGM-HNNXBMFYSA-N 0 1 287.432 3.664 20 0 CHADMN Fc1ccc(CN[C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC000154505909 1128243777 /nfs/dbraw/zinc/24/37/77/1128243777.db2.gz QFVFAZRABOCOSE-MRXNPFEDSA-N 0 1 277.289 3.881 20 0 CHADMN CCN(Cc1[nH]c(C)nc1C)[C@@H](C)c1ccc(F)cc1 ZINC000929333878 1128270212 /nfs/dbraw/zinc/27/02/12/1128270212.db2.gz SCZVEMMFXXGXKC-LBPRGKRZSA-N 0 1 275.371 3.749 20 0 CHADMN CCc1ncc(CN(C)[C@H](C)c2ccccc2C)o1 ZINC000929326691 1128270505 /nfs/dbraw/zinc/27/05/05/1128270505.db2.gz UUGJSUIOJXCPGJ-CYBMUJFWSA-N 0 1 258.365 3.738 20 0 CHADMN Cc1cc(CN(Cc2cccs2)C(C)C)c(C)nn1 ZINC000929342214 1128270998 /nfs/dbraw/zinc/27/09/98/1128270998.db2.gz OWAGKGGAGNNWHP-UHFFFAOYSA-N 0 1 275.421 3.566 20 0 CHADMN C[C@H](c1ccco1)N(C)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929368904 1128271778 /nfs/dbraw/zinc/27/17/78/1128271778.db2.gz BVSYOQXLHYRQFS-WZRBSPASSA-N 0 1 291.313 3.772 20 0 CHADMN O=C(c1cccc(F)c1O)N1CCC[C@H]1c1cccs1 ZINC000929373549 1128271811 /nfs/dbraw/zinc/27/18/11/1128271811.db2.gz YHTCZXDQIYUOMN-LBPRGKRZSA-N 0 1 291.347 3.570 20 0 CHADMN C[C@H](c1ccco1)N(C)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929368774 1128272204 /nfs/dbraw/zinc/27/22/04/1128272204.db2.gz BVSYOQXLHYRQFS-NQBHXWOUSA-N 0 1 291.313 3.772 20 0 CHADMN Cc1nnsc1[C@H](C)N1CC[C@H](c2ccccc2F)C1 ZINC000929599934 1128278986 /nfs/dbraw/zinc/27/89/86/1128278986.db2.gz VPKAWGJYSFAGMH-RYUDHWBXSA-N 0 1 291.395 3.536 20 0 CHADMN Cc1nc(C)c(CN2CCC(c3ccccc3F)CC2)[nH]1 ZINC000929672536 1128281380 /nfs/dbraw/zinc/28/13/80/1128281380.db2.gz DFDWJWCOCIWJOI-UHFFFAOYSA-N 0 1 287.382 3.545 20 0 CHADMN CCc1nc(C)c([C@@H](C)N(C)C/C=C(\C)COC)s1 ZINC000929705179 1128282865 /nfs/dbraw/zinc/28/28/65/1128282865.db2.gz ZSMRINSGMMKJOX-RUNBWSAHSA-N 0 1 282.453 3.599 20 0 CHADMN CCCCCC1CCC(N2CCn3cncc3C2)CC1 ZINC001257375006 1128288920 /nfs/dbraw/zinc/28/89/20/1128288920.db2.gz BLNWSBQQKHSFQY-UHFFFAOYSA-N 0 1 275.440 3.838 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@H]2c2ccccc2F)c(C)nn1 ZINC000929725315 1128284128 /nfs/dbraw/zinc/28/41/28/1128284128.db2.gz IGRQHBCWGWWWDO-XIKOKIGWSA-N 0 1 299.393 3.816 20 0 CHADMN CCC/C(C)=C\C(=O)Nc1cccc(-c2cn[nH]c2)c1 ZINC000762312167 1128290862 /nfs/dbraw/zinc/29/08/62/1128290862.db2.gz FMACTCBPUGHUQC-WQLSENKSSA-N 0 1 269.348 3.762 20 0 CHADMN CC1CC(CN[C@@H](c2nccs2)c2ccccc2)C1 ZINC000929919549 1128294390 /nfs/dbraw/zinc/29/43/90/1128294390.db2.gz WOEFASAWEDQEAG-SSDMNJCBSA-N 0 1 272.417 3.868 20 0 CHADMN Cc1ccccc1[C@@H](C)N(C)CC(=O)Nc1ccccc1 ZINC000193425996 1128294951 /nfs/dbraw/zinc/29/49/51/1128294951.db2.gz CLBJYPDTFPTUKU-OAHLLOKOSA-N 0 1 282.387 3.627 20 0 CHADMN CC(F)(F)CCCN1CCc2ccc(F)cc2C1 ZINC000930044878 1128298945 /nfs/dbraw/zinc/29/89/45/1128298945.db2.gz KLYWEHQPMFTVAR-UHFFFAOYSA-N 0 1 257.299 3.619 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(F)nc1 ZINC000930179353 1128304357 /nfs/dbraw/zinc/30/43/57/1128304357.db2.gz CYSATTCGPRIIQZ-NWDGAFQWSA-N 0 1 274.339 3.641 20 0 CHADMN CCOc1cccc([C@H](C)NCc2cc(C)cc(C)n2)c1 ZINC000930209743 1128307820 /nfs/dbraw/zinc/30/78/20/1128307820.db2.gz CMFJEJNSNJUZRB-HNNXBMFYSA-N 0 1 284.403 3.948 20 0 CHADMN CCC[C@@H](C)N(C)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000930222113 1128308523 /nfs/dbraw/zinc/30/85/23/1128308523.db2.gz MLSWKHOLXAVLHD-SECBINFHSA-N 0 1 295.333 3.761 20 0 CHADMN Cc1cc(CNC2(c3ccc(Cl)cc3)CC2)c(C)nn1 ZINC000930223217 1128308761 /nfs/dbraw/zinc/30/87/61/1128308761.db2.gz UUSOSAIYPHCTED-UHFFFAOYSA-N 0 1 287.794 3.526 20 0 CHADMN Cc1nnsc1[C@H](C)N[C@H](C)c1cccc(C)c1C ZINC000930224371 1128308934 /nfs/dbraw/zinc/30/89/34/1128308934.db2.gz HFDNWHGQGRATAN-NEPJUHHUSA-N 0 1 275.421 3.875 20 0 CHADMN C[C@H]1CC/C(=C\C(=O)Nc2cccc(Cl)c2O)C1 ZINC000762804197 1128318580 /nfs/dbraw/zinc/31/85/80/1128318580.db2.gz GEDHKFHWTMEKGG-WKMLFNHBSA-N 0 1 265.740 3.731 20 0 CHADMN C/C(=C\C(=O)Nc1cccc(Cl)c1O)C(C)(C)C ZINC000762804297 1128318873 /nfs/dbraw/zinc/31/88/73/1128318873.db2.gz GPIJJRIYCGQOKN-CMDGGOBGSA-N 0 1 267.756 3.977 20 0 CHADMN C[C@H](NC[C@@H]1CCCC2(CCC2)O1)c1c(F)cncc1F ZINC000930474382 1128320317 /nfs/dbraw/zinc/32/03/17/1128320317.db2.gz MXYLUXUKLPADRR-RYUDHWBXSA-N 0 1 296.361 3.502 20 0 CHADMN CCCCN(Cc1nncs1)[C@H]1CCC[C@H](C)C1 ZINC000930583743 1128326667 /nfs/dbraw/zinc/32/66/67/1128326667.db2.gz XCKWIYZLVPKFCE-STQMWFEESA-N 0 1 267.442 3.719 20 0 CHADMN CCN(Cc1coc(C(C)(C)C)n1)[C@H]1CCOC(C)(C)C1 ZINC000930511950 1128322642 /nfs/dbraw/zinc/32/26/42/1128322642.db2.gz JTIMWZZZXDYXGM-AWEZNQCLSA-N 0 1 294.439 3.752 20 0 CHADMN CC(C)=CCCN(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000660105389 1128323055 /nfs/dbraw/zinc/32/30/55/1128323055.db2.gz YPRSAILQNCEGCJ-UHFFFAOYSA-N 0 1 269.392 3.865 20 0 CHADMN CCc1ccc([C@H]2CCN([C@@H](C)c3ncccn3)C2)cc1 ZINC000930565258 1128325812 /nfs/dbraw/zinc/32/58/12/1128325812.db2.gz UJFOJAIARDZVNZ-YOEHRIQHSA-N 0 1 281.403 3.590 20 0 CHADMN CCOCC(C)(C)NCc1nc(C)c(C(C)(C)C)s1 ZINC000930578112 1128325918 /nfs/dbraw/zinc/32/59/18/1128325918.db2.gz QIIJKBONSDMLSX-UHFFFAOYSA-N 0 1 284.469 3.654 20 0 CHADMN COCCCCN(C)Cc1nc(C)c(C(C)(C)C)s1 ZINC000930743845 1128333953 /nfs/dbraw/zinc/33/39/53/1128333953.db2.gz GRFRJEXHQNVJQD-UHFFFAOYSA-N 0 1 284.469 3.607 20 0 CHADMN CCCCCCNC(=O)CN(C)[C@@H](C)c1ccc(C)cc1 ZINC000915689491 1128334150 /nfs/dbraw/zinc/33/41/50/1128334150.db2.gz NRZRORKBJJVJFQ-INIZCTEOSA-N 0 1 290.451 3.684 20 0 CHADMN C[C@@H](NC[C@@H](O)C1CCC1)c1cc(Cl)sc1Cl ZINC000316809166 1128335684 /nfs/dbraw/zinc/33/56/84/1128335684.db2.gz SXNQXAZWLQGWNA-GMSGAONNSA-N 0 1 294.247 3.867 20 0 CHADMN C[C@H](Cc1cccc(F)c1)[N@H+]1CCc2cc(F)ccc2C1 ZINC001168496351 1128327859 /nfs/dbraw/zinc/32/78/59/1128327859.db2.gz ISROQWAYMSKMKF-CYBMUJFWSA-N 0 1 287.353 3.954 20 0 CHADMN CC(C)(C)c1nc(CN2C[C@@H]3CCCC[C@@H]3C2)co1 ZINC000930635786 1128328468 /nfs/dbraw/zinc/32/84/68/1128328468.db2.gz HZAYRRNMVFPWPR-BETUJISGSA-N 0 1 262.397 3.594 20 0 CHADMN Cc1c[nH]nc1CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000915511761 1128329493 /nfs/dbraw/zinc/32/94/93/1128329493.db2.gz FNMLMIVGNRCCIS-UHFFFAOYSA-N 0 1 298.415 3.633 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CCSC2(CCC2)CC1 ZINC000930710687 1128331898 /nfs/dbraw/zinc/33/18/98/1128331898.db2.gz GIRDSFGBJXHHEU-GFCCVEGCSA-N 0 1 280.412 3.643 20 0 CHADMN C[N@@H+](Cc1nncs1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000930723709 1128332584 /nfs/dbraw/zinc/33/25/84/1128332584.db2.gz RMBIJUYCSWSCPJ-CABCVRRESA-N 0 1 287.432 3.696 20 0 CHADMN CN(Cc1nncs1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000930723709 1128332589 /nfs/dbraw/zinc/33/25/89/1128332589.db2.gz RMBIJUYCSWSCPJ-CABCVRRESA-N 0 1 287.432 3.696 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@@H](C)c3cccc(F)c3)[nH]c2c1 ZINC000561502212 1128333339 /nfs/dbraw/zinc/33/33/39/1128333339.db2.gz JGDJKOJKDSNSIJ-NSHDSACASA-N 0 1 297.333 3.753 20 0 CHADMN CC[C@H]1C[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H](C)CO1 ZINC000930853911 1128337810 /nfs/dbraw/zinc/33/78/10/1128337810.db2.gz WBSWQYRSRGBYDY-ARLBYUKCSA-N 0 1 295.373 3.535 20 0 CHADMN CC[C@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H](C)CO1 ZINC000930853911 1128337814 /nfs/dbraw/zinc/33/78/14/1128337814.db2.gz WBSWQYRSRGBYDY-ARLBYUKCSA-N 0 1 295.373 3.535 20 0 CHADMN Cc1nc(C)c(C[N@H+](C)[C@@H](C)CSc2ccccc2)[nH]1 ZINC000930848206 1128338048 /nfs/dbraw/zinc/33/80/48/1128338048.db2.gz YWGKJXOUWIUTCT-LBPRGKRZSA-N 0 1 289.448 3.639 20 0 CHADMN Cc1nc(C)c(CN(C)[C@@H](C)CSc2ccccc2)[nH]1 ZINC000930848206 1128338053 /nfs/dbraw/zinc/33/80/53/1128338053.db2.gz YWGKJXOUWIUTCT-LBPRGKRZSA-N 0 1 289.448 3.639 20 0 CHADMN CCCCN(C(=O)c1cc(C)[nH]n1)[C@@H]1CCC[C@@H](C)C1 ZINC000561597999 1128340366 /nfs/dbraw/zinc/34/03/66/1128340366.db2.gz FBKYKPPOIJKHQP-TZMCWYRMSA-N 0 1 277.412 3.539 20 0 CHADMN COC/C(C)=C\CN1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000930999028 1128342944 /nfs/dbraw/zinc/34/29/44/1128342944.db2.gz YAGYQOJAVMMYHK-LPDYGMJQSA-N 0 1 293.382 3.564 20 0 CHADMN CC(F)(F)CCCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000931081847 1128346836 /nfs/dbraw/zinc/34/68/36/1128346836.db2.gz BPXFUIHWNFIIEQ-CYBMUJFWSA-N 0 1 268.351 3.900 20 0 CHADMN C[C@@H]1CCC[C@H](Sc2nc(-c3ccccn3)n[nH]2)C1 ZINC000561793983 1128354110 /nfs/dbraw/zinc/35/41/10/1128354110.db2.gz MTPPWCGFZRBLEQ-MNOVXSKESA-N 0 1 274.393 3.538 20 0 CHADMN C[C@H](CN(C)[C@@H](C)c1ncccn1)C1CCCCC1 ZINC000931256498 1128354311 /nfs/dbraw/zinc/35/43/11/1128354311.db2.gz MCZLJDQNFMOMGY-KGLIPLIRSA-N 0 1 261.413 3.686 20 0 CHADMN CCCC[C@@H](CC)N1CCN(C)c2nc(C)ccc2C1 ZINC001257423174 1128354354 /nfs/dbraw/zinc/35/43/54/1128354354.db2.gz ZKXIOYROCZEYQD-MRXNPFEDSA-N 0 1 275.440 3.611 20 0 CHADMN Fc1ccc([C@@H]2c3[nH]cnc3CCN2CCC2CCC2)cc1 ZINC000931385265 1128359116 /nfs/dbraw/zinc/35/91/16/1128359116.db2.gz JBKGBGPYXFHAIZ-GOSISDBHSA-N 0 1 299.393 3.687 20 0 CHADMN C[C@H](NCc1cccc(OC(F)F)c1)c1cccc(O)c1 ZINC000171766013 1128360175 /nfs/dbraw/zinc/36/01/75/1128360175.db2.gz RWBGZRQBJYBDEA-NSHDSACASA-N 0 1 293.313 3.844 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H](C)c2ccc(F)cc2C)cn1 ZINC000932560475 1128414676 /nfs/dbraw/zinc/41/46/76/1128414676.db2.gz XMTVAQWOXVCNTG-CHWSQXEVSA-N 0 1 273.355 3.644 20 0 CHADMN CC[C@H](c1ccccc1OC)N(C)Cc1ncccc1C ZINC000561956794 1128364752 /nfs/dbraw/zinc/36/47/52/1128364752.db2.gz BNSXPWIGPMPOAR-QGZVFWFLSA-N 0 1 284.403 3.982 20 0 CHADMN c1cc2c(o1)CCCN(CC1=Cc3ccccc3OC1)C2 ZINC000561987858 1128368574 /nfs/dbraw/zinc/36/85/74/1128368574.db2.gz YVXLMMBFCSNBLL-UHFFFAOYSA-N 0 1 281.355 3.504 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1cc(CO)ccc1F ZINC000932562957 1128415351 /nfs/dbraw/zinc/41/53/51/1128415351.db2.gz YPEODSXGMMKZJA-GFCCVEGCSA-N 0 1 291.341 3.616 20 0 CHADMN COc1ccc([C@H](C)NCc2c(C)nsc2C)cc1C ZINC000932569168 1128415395 /nfs/dbraw/zinc/41/53/95/1128415395.db2.gz CMMAYJLXVDYXNM-NSHDSACASA-N 0 1 290.432 3.928 20 0 CHADMN CC(C)(C)[C@H]1CSCCN1Cc1cc(C2CC2)no1 ZINC000931593348 1128370982 /nfs/dbraw/zinc/37/09/82/1128370982.db2.gz YGUARUOIUNTWRZ-CQSZACIVSA-N 0 1 280.437 3.516 20 0 CHADMN C(=C/c1ccccc1)\CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000562059184 1128375095 /nfs/dbraw/zinc/37/50/95/1128375095.db2.gz DHOUQQZLFOVHLW-IDUOFMCJSA-N 0 1 283.415 3.733 20 0 CHADMN C(=C\c1ccccc1)\CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000562059187 1128375172 /nfs/dbraw/zinc/37/51/72/1128375172.db2.gz DHOUQQZLFOVHLW-OETHZFGISA-N 0 1 283.415 3.733 20 0 CHADMN C[C@@H](CN1CCO[C@@H](c2ccsc2)C1)C(C)(C)C ZINC000670265074 1128375553 /nfs/dbraw/zinc/37/55/53/1128375553.db2.gz KUMORFWMQSSPLS-GXTWGEPZSA-N 0 1 267.438 3.804 20 0 CHADMN CCc1onc(C)c1CN[C@@H](C)c1ccc(OC)c(C)c1 ZINC000932570560 1128415855 /nfs/dbraw/zinc/41/58/55/1128415855.db2.gz FXJAINZMZIVGJH-LBPRGKRZSA-N 0 1 288.391 3.713 20 0 CHADMN Cc1nc([C@H]2CCN([C@H](C)c3cccc(Cl)c3)C2)no1 ZINC000931945308 1128389483 /nfs/dbraw/zinc/38/94/83/1128389483.db2.gz ZJUAAFOSWGVAHR-MFKMUULPSA-N 0 1 291.782 3.582 20 0 CHADMN Cc1nc2cc(N[C@H](C)Cc3ccoc3)ccc2n1C ZINC000562654474 1128416647 /nfs/dbraw/zinc/41/66/47/1128416647.db2.gz PIMKUQKOHJBCJO-LLVKDONJSA-N 0 1 269.348 3.518 20 0 CHADMN FC1(F)CC[C@H](CNc2noc3ccc(Cl)cc32)C1 ZINC000562245554 1128390240 /nfs/dbraw/zinc/39/02/40/1128390240.db2.gz MYESRJIGKDCXRS-QMMMGPOBSA-N 0 1 286.709 3.750 20 0 CHADMN CSCC1CCN(Cc2nsc3ccccc32)CC1 ZINC000932586928 1128416715 /nfs/dbraw/zinc/41/67/15/1128416715.db2.gz RTDAZQBIJIYZGN-UHFFFAOYSA-N 0 1 292.473 3.871 20 0 CHADMN Cc1nocc1CNCc1ccc(OCCC(C)C)cc1 ZINC000397987623 1128391001 /nfs/dbraw/zinc/39/10/01/1128391001.db2.gz KWFYDWRESYXPRD-UHFFFAOYSA-N 0 1 288.391 3.698 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Cl)cn2)CC12CCC2 ZINC000562268583 1128391794 /nfs/dbraw/zinc/39/17/94/1128391794.db2.gz PQPRZZGYTPECDH-GFCCVEGCSA-N 0 1 264.800 3.747 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1ccc(Cl)cn1 ZINC000562263934 1128391912 /nfs/dbraw/zinc/39/19/12/1128391912.db2.gz OSPZDOUJQYNSNC-GFCCVEGCSA-N 0 1 260.768 3.928 20 0 CHADMN Cc1oc2ccccc2c1CNCc1cnc(C2CC2)nc1 ZINC000562686589 1128417181 /nfs/dbraw/zinc/41/71/81/1128417181.db2.gz UKINMDLQIMMIMA-UHFFFAOYSA-N 0 1 293.370 3.698 20 0 CHADMN Cc1ccc(-c2n[nH]c(SC3CCSCC3)n2)cc1 ZINC000916032837 1128405503 /nfs/dbraw/zinc/40/55/03/1128405503.db2.gz QVDUYSBJQULKFX-UHFFFAOYSA-N 0 1 291.445 3.768 20 0 CHADMN c1ccc([C@@H](NCc2ccc3ccccc3n2)C2CC2)nc1 ZINC000932379008 1128406280 /nfs/dbraw/zinc/40/62/80/1128406280.db2.gz OFYVPDMTJQIGKI-IBGZPJMESA-N 0 1 289.382 3.871 20 0 CHADMN Cc1cc(CN(Cc2cccc(F)c2)C2CCC2)nc(C)n1 ZINC000932405534 1128408728 /nfs/dbraw/zinc/40/87/28/1128408728.db2.gz KABOKQPEYFDXRF-UHFFFAOYSA-N 0 1 299.393 3.787 20 0 CHADMN C[C@@H]1CN(Cc2ccc(F)cc2)Cc2ccccc21 ZINC000916151554 1128409834 /nfs/dbraw/zinc/40/98/34/1128409834.db2.gz JOBMLWPSHXZJSC-CYBMUJFWSA-N 0 1 255.336 3.945 20 0 CHADMN Cc1cc(C)nc(CN(Cc2ccccn2)CC(C)C)c1 ZINC000932448299 1128411044 /nfs/dbraw/zinc/41/10/44/1128411044.db2.gz ZNNBMFWDIUPMNF-UHFFFAOYSA-N 0 1 283.419 3.752 20 0 CHADMN CCCC[N@@H+](Cc1csnn1)[C@H]1CCC[C@H](C)C1 ZINC000562856955 1128424819 /nfs/dbraw/zinc/42/48/19/1128424819.db2.gz PLQSQXHBJBFUNT-JSGCOSHPSA-N 0 1 267.442 3.719 20 0 CHADMN CCCCN(Cc1csnn1)[C@H]1CCC[C@H](C)C1 ZINC000562856955 1128424821 /nfs/dbraw/zinc/42/48/21/1128424821.db2.gz PLQSQXHBJBFUNT-JSGCOSHPSA-N 0 1 267.442 3.719 20 0 CHADMN CC(C)c1nnc(CN2C[C@H](c3ccccc3)CC2(C)C)o1 ZINC000932900844 1128425942 /nfs/dbraw/zinc/42/59/42/1128425942.db2.gz DIDCYMVJEUWJPQ-OAHLLOKOSA-N 0 1 299.418 3.961 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1ccc(C)nc1 ZINC000062051355 1128434863 /nfs/dbraw/zinc/43/48/63/1128434863.db2.gz HSXZISYXFKWGBO-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN COc1cccc([C@@H](C)NCc2cc(C)ccc2OC)c1 ZINC000037771526 1128435463 /nfs/dbraw/zinc/43/54/63/1128435463.db2.gz RZFCNEFNRJIHBA-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN c1cc(CN2CCC[C@@]3(C=Cc4ccccc4O3)C2)sn1 ZINC000933655010 1128439456 /nfs/dbraw/zinc/43/94/56/1128439456.db2.gz HWNKFGDERVKZHE-QGZVFWFLSA-N 0 1 298.411 3.584 20 0 CHADMN Cc1ccc(CN2CCCSC[C@H]2C2CC2)c(Cl)n1 ZINC000933911117 1128446805 /nfs/dbraw/zinc/44/68/05/1128446805.db2.gz ALCNFCHJISXXAX-AWEZNQCLSA-N 0 1 296.867 3.761 20 0 CHADMN CC[C@@H]1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000125443264 1128449661 /nfs/dbraw/zinc/44/96/61/1128449661.db2.gz SYXZYJDYKKRGBJ-WDEREUQCSA-N 0 1 298.789 3.538 20 0 CHADMN c1cc(C[N@@H+](Cc2ccc3ncccc3c2)C2CC2)co1 ZINC000934001899 1128448737 /nfs/dbraw/zinc/44/87/37/1128448737.db2.gz KNDGIYBXBZRVQV-UHFFFAOYSA-N 0 1 278.355 3.992 20 0 CHADMN c1cc(CN(Cc2ccc3ncccc3c2)C2CC2)co1 ZINC000934001899 1128448738 /nfs/dbraw/zinc/44/87/38/1128448738.db2.gz KNDGIYBXBZRVQV-UHFFFAOYSA-N 0 1 278.355 3.992 20 0 CHADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2sccc2Br)C1 ZINC000125703505 1128451718 /nfs/dbraw/zinc/45/17/18/1128451718.db2.gz HCMIACFZWPDKGW-RKDXNWHRSA-N 0 1 274.227 3.741 20 0 CHADMN CC[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000125696419 1128452011 /nfs/dbraw/zinc/45/20/11/1128452011.db2.gz IROQMYBYXHORHC-UONOGXRCSA-N 0 1 285.391 3.838 20 0 CHADMN c1ccc(CC[C@@H]2CCCN2Cc2nnc(C3CC3)o2)cc1 ZINC000125730776 1128452583 /nfs/dbraw/zinc/45/25/83/1128452583.db2.gz KMOQLLBKOOXHIE-INIZCTEOSA-N 0 1 297.402 3.544 20 0 CHADMN CCC[C@](C)(NCc1ccc(Cl)nn1)c1ccccc1 ZINC000934178993 1128453252 /nfs/dbraw/zinc/45/32/52/1128453252.db2.gz BGRBBFDBLRZWLB-INIZCTEOSA-N 0 1 289.810 3.935 20 0 CHADMN CCC[C@](C)(NCc1cn2cccnc2n1)c1ccccc1 ZINC000934185004 1128453931 /nfs/dbraw/zinc/45/39/31/1128453931.db2.gz WRWHBQHVXXTSDT-SFHVURJKSA-N 0 1 294.402 3.534 20 0 CHADMN CC(C)N1CCC[C@H]1c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000923861925 1128454796 /nfs/dbraw/zinc/45/47/96/1128454796.db2.gz VHSLFCMVKOGGGI-HNNXBMFYSA-N 0 1 296.374 3.763 20 0 CHADMN Cc1cccnc1[C@H](NCc1ccncc1)C(C)(C)C ZINC000934290646 1128456762 /nfs/dbraw/zinc/45/67/62/1128456762.db2.gz NMKWUMGRXAUIAM-INIZCTEOSA-N 0 1 269.392 3.662 20 0 CHADMN Cc1n[nH]c(C)c1CN(C)[C@H](C)c1cc2ccccc2o1 ZINC000126040294 1128460651 /nfs/dbraw/zinc/46/06/51/1128460651.db2.gz YERVQKBIDXVSBM-CYBMUJFWSA-N 0 1 283.375 3.966 20 0 CHADMN CSCC(C)(C)NCc1nc(C(C)(C)C)cs1 ZINC000934674963 1128465419 /nfs/dbraw/zinc/46/54/19/1128465419.db2.gz NHJHQUNQKUGLGH-UHFFFAOYSA-N 0 1 272.483 3.672 20 0 CHADMN CSCC(C)(C)NCc1nc(-c2ccccc2)oc1C ZINC000934679237 1128466036 /nfs/dbraw/zinc/46/60/36/1128466036.db2.gz VJXKCTALIIWXFX-UHFFFAOYSA-N 0 1 290.432 3.881 20 0 CHADMN c1ccc(-c2nnc(CNC3(C4CCCCC4)CC3)o2)cc1 ZINC000934786824 1128468987 /nfs/dbraw/zinc/46/89/87/1128468987.db2.gz DCUCDMRZLUCIDG-UHFFFAOYSA-N 0 1 297.402 3.939 20 0 CHADMN Cc1cc(C)nc(CNC(C)(C)c2ccc(F)cc2)c1 ZINC000929961633 1128470037 /nfs/dbraw/zinc/47/00/37/1128470037.db2.gz ICMAVBNTZOKWNQ-UHFFFAOYSA-N 0 1 272.367 3.862 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@H]2NCc1cccc(C)n1 ZINC000127231864 1128474171 /nfs/dbraw/zinc/47/41/71/1128474171.db2.gz FIDVJJUTASOJKJ-QGZVFWFLSA-N 0 1 282.387 3.702 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])o2)cc1 ZINC000563720429 1128476033 /nfs/dbraw/zinc/47/60/33/1128476033.db2.gz BXRZTLQOYUYGIL-OAHLLOKOSA-N 0 1 285.343 3.623 20 0 CHADMN C[C@@H](N(C)C(=O)c1cnc(-c2ccccc2)[nH]1)C(C)(C)C ZINC000563773913 1128478085 /nfs/dbraw/zinc/47/80/85/1128478085.db2.gz HZHYHNLAVNDMCX-GFCCVEGCSA-N 0 1 285.391 3.583 20 0 CHADMN CC(C)N1CCC[C@H]1c1nc(-c2ccc(F)c(F)c2)no1 ZINC000924008024 1128478186 /nfs/dbraw/zinc/47/81/86/1128478186.db2.gz MBRWRWAKALDDEZ-ZDUSSCGKSA-N 0 1 293.317 3.560 20 0 CHADMN Cc1nc(CN(C)C2CCC(C)(C)CC2)cs1 ZINC000127635973 1128481260 /nfs/dbraw/zinc/48/12/60/1128481260.db2.gz BKLPCIMUFFUJFJ-UHFFFAOYSA-N 0 1 252.427 3.852 20 0 CHADMN CCCC[C@@H](CC)C[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000563893223 1128483801 /nfs/dbraw/zinc/48/38/01/1128483801.db2.gz YADFBJVEHZZUIA-WBVHZDCISA-N 0 1 291.435 3.831 20 0 CHADMN CCCC[C@H](CC)C[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000563893222 1128483841 /nfs/dbraw/zinc/48/38/41/1128483841.db2.gz YADFBJVEHZZUIA-RDJZCZTQSA-N 0 1 291.435 3.831 20 0 CHADMN O=C(Nc1nc(C2CCC2)n[nH]1)c1ccccc1C1CCC1 ZINC000935379908 1128488439 /nfs/dbraw/zinc/48/84/39/1128488439.db2.gz QOJUHFCMFACXCN-UHFFFAOYSA-N 0 1 296.374 3.592 20 0 CHADMN O=C(Nc1n[nH]c(C2CCC2)n1)c1ccccc1C1CCC1 ZINC000935379908 1128488442 /nfs/dbraw/zinc/48/84/42/1128488442.db2.gz QOJUHFCMFACXCN-UHFFFAOYSA-N 0 1 296.374 3.592 20 0 CHADMN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccco2)c1 ZINC000089725123 1128492406 /nfs/dbraw/zinc/49/24/06/1128492406.db2.gz TUEJKFMGMVDCRW-ZFWWWQNUSA-N 0 1 284.359 3.811 20 0 CHADMN Cc1cnc(C(=O)N(C)c2ccc3ccccc3c2)c(O)c1 ZINC000778374226 1128498841 /nfs/dbraw/zinc/49/88/41/1128498841.db2.gz QIGIZKTWPBKPQG-UHFFFAOYSA-N 0 1 292.338 3.525 20 0 CHADMN O=C1C[C@H](c2ccccc2)N1CN(C1CC1)C1CCCCC1 ZINC000917428572 1128500321 /nfs/dbraw/zinc/50/03/21/1128500321.db2.gz BKMYXXXGADPCNW-GOSISDBHSA-N 0 1 298.430 3.715 20 0 CHADMN Cc1ccc(CCNCc2ncc(C(C)(C)C)s2)o1 ZINC000564285366 1128502877 /nfs/dbraw/zinc/50/28/77/1128502877.db2.gz PZASFPFMLCPONV-UHFFFAOYSA-N 0 1 278.421 3.674 20 0 CHADMN CCCN1CCC[C@H]1c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000567066112 1128557656 /nfs/dbraw/zinc/55/76/56/1128557656.db2.gz KHCCOQWOWXODFE-HNNXBMFYSA-N 0 1 296.374 3.765 20 0 CHADMN COC[C@@H](NC/C=C/c1ccc(F)cc1)c1ccc(C)o1 ZINC000128580578 1128504982 /nfs/dbraw/zinc/50/49/82/1128504982.db2.gz UWWMBEYRRQCEJW-QDLOVBKTSA-N 0 1 289.350 3.718 20 0 CHADMN CCN(Cc1csc(Cc2ccccc2)n1)CC1CC1 ZINC000070013619 1128558256 /nfs/dbraw/zinc/55/82/56/1128558256.db2.gz QLENTABMNTYRAI-UHFFFAOYSA-N 0 1 286.444 3.966 20 0 CHADMN CC(C)C[C@H]1CC[N@@H+](CC[C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000567116802 1128558503 /nfs/dbraw/zinc/55/85/03/1128558503.db2.gz NAFJYIAXUIIXDO-NVXWUHKLSA-N 0 1 289.419 3.613 20 0 CHADMN C/C=C/C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000917757018 1128517463 /nfs/dbraw/zinc/51/74/63/1128517463.db2.gz QPUWTGYHWODUGQ-DUXPYHPUSA-N 0 1 295.317 3.884 20 0 CHADMN CCOc1cccc(Cl)c1CN1CC[C@H](OC)C[C@@H]1C ZINC000565162814 1128521073 /nfs/dbraw/zinc/52/10/73/1128521073.db2.gz IQPWCIAEGICNDL-STQMWFEESA-N 0 1 297.826 3.738 20 0 CHADMN Cc1oncc1CN[C@@H](C)c1ccccc1C(F)(F)F ZINC000129904980 1128559036 /nfs/dbraw/zinc/55/90/36/1128559036.db2.gz URMDANINCGXHPN-VIFPVBQESA-N 0 1 284.281 3.853 20 0 CHADMN CCCCOCCN[C@H](C)c1nc2ccccc2s1 ZINC000040506485 1128523002 /nfs/dbraw/zinc/52/30/02/1128523002.db2.gz SJMLGVJZADYHEU-GFCCVEGCSA-N 0 1 278.421 3.764 20 0 CHADMN CCCCOCCN[C@@H](C)c1nc2ccccc2s1 ZINC000040506483 1128523364 /nfs/dbraw/zinc/52/33/64/1128523364.db2.gz SJMLGVJZADYHEU-LBPRGKRZSA-N 0 1 278.421 3.764 20 0 CHADMN O=C([O-])C[N@@H+](Cc1ccc(C2CCC2)cc1)C1CCCC1 ZINC000565250376 1128523396 /nfs/dbraw/zinc/52/33/96/1128523396.db2.gz MNHHUHGGCBOPHK-UHFFFAOYSA-N 0 1 287.403 3.783 20 0 CHADMN Cc1oncc1CN[C@@H](c1ccccc1)C1CCC1 ZINC000129052388 1128528748 /nfs/dbraw/zinc/52/87/48/1128528748.db2.gz CFLJJSGDBJHGSI-INIZCTEOSA-N 0 1 256.349 3.614 20 0 CHADMN Cc1cccc(CCN2CCc3c(Cl)cccc3C2)n1 ZINC000565598587 1128529162 /nfs/dbraw/zinc/52/91/62/1128529162.db2.gz RYRGDSHNGIHHNN-UHFFFAOYSA-N 0 1 286.806 3.644 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNCCOC2CCCCC2)o1 ZINC000070168079 1128559741 /nfs/dbraw/zinc/55/97/41/1128559741.db2.gz HKZLONFEZUBIEB-XJKSGUPXSA-N 0 1 277.408 3.842 20 0 CHADMN CC(C)c1nc(CN2CC(C3CCC3)C2)c2ccccn21 ZINC000565838983 1128533864 /nfs/dbraw/zinc/53/38/64/1128533864.db2.gz UNQAPLPRJNVYHH-UHFFFAOYSA-N 0 1 283.419 3.690 20 0 CHADMN CCCN(C)[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000069090958 1128534093 /nfs/dbraw/zinc/53/40/93/1128534093.db2.gz XSELUQUTUSWNON-JTQLQIEISA-N 0 1 267.323 3.834 20 0 CHADMN C[C@@H](CC1CCCCC1)CN1CCOC[C@@H]1CC(F)F ZINC000565956549 1128535602 /nfs/dbraw/zinc/53/56/02/1128535602.db2.gz COTDIYLVFMFXDU-ZFWWWQNUSA-N 0 1 289.410 3.949 20 0 CHADMN C[C@@H](C[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C)C1CCCCC1 ZINC000567180836 1128559933 /nfs/dbraw/zinc/55/99/33/1128559933.db2.gz VTNXTNOJELBMCV-TTZDDIAXSA-N 0 1 281.440 3.776 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])c(C)o1 ZINC000566073997 1128538045 /nfs/dbraw/zinc/53/80/45/1128538045.db2.gz KSXAYVLFXRQQSF-NHYWBVRUSA-N 0 1 279.380 3.687 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])[C@@H]1C ZINC000566359094 1128542974 /nfs/dbraw/zinc/54/29/74/1128542974.db2.gz PPYBCILFNKCSKE-GHMZBOCLSA-N 0 1 281.783 3.659 20 0 CHADMN Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000566366713 1128543736 /nfs/dbraw/zinc/54/37/36/1128543736.db2.gz CHYZZXVCRKULJF-SCLBCKFNSA-N 0 1 297.398 3.833 20 0 CHADMN CCO[C@@H]1C[C@H]1N[C@H](C)c1cc2ccc(C)cc2o1 ZINC000556078493 1128545114 /nfs/dbraw/zinc/54/51/14/1128545114.db2.gz OMCXTMFIUDABBT-AXAPSJFSSA-N 0 1 259.349 3.569 20 0 CHADMN CCCc1nc(C)c(CNCc2cc(C)sc2C)o1 ZINC000566655003 1128549099 /nfs/dbraw/zinc/54/90/99/1128549099.db2.gz SLJAYCQYRRZSOE-UHFFFAOYSA-N 0 1 278.421 3.904 20 0 CHADMN CC/C=C/CCOC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000918509723 1128552223 /nfs/dbraw/zinc/55/22/23/1128552223.db2.gz PGBXBAWXPGBTMN-SNAWJCMRSA-N 0 1 284.359 3.898 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000566978976 1128555606 /nfs/dbraw/zinc/55/56/06/1128555606.db2.gz HWTOSTWVNQRIOZ-RHSMWYFYSA-N 0 1 295.382 3.763 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1cc(COC(C)(C)C)on1 ZINC000567015552 1128555751 /nfs/dbraw/zinc/55/57/51/1128555751.db2.gz YAZQXVBBVKGNKA-GFCCVEGCSA-N 0 1 282.428 3.904 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1CC12CCCCC2 ZINC000567045229 1128556624 /nfs/dbraw/zinc/55/66/24/1128556624.db2.gz OJBZJVNHZQCHIL-CYBMUJFWSA-N 0 1 283.375 3.780 20 0 CHADMN CCc1cccc(F)c1CN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000567318142 1128562157 /nfs/dbraw/zinc/56/21/57/1128562157.db2.gz VELSPCSKBIPWFQ-IRXDYDNUSA-N 0 1 291.410 3.778 20 0 CHADMN CC(C)(C)c1cc(CN2CCCCC(C)(C)C2)no1 ZINC000567401638 1128563832 /nfs/dbraw/zinc/56/38/32/1128563832.db2.gz PWHXLLSXHSZMFX-UHFFFAOYSA-N 0 1 264.413 3.984 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000567471440 1128565428 /nfs/dbraw/zinc/56/54/28/1128565428.db2.gz LUQXALVOFOFKEN-KKUMJFAQSA-N 0 1 269.429 3.636 20 0 CHADMN CCc1nc2c(s1)[C@@H]([N@@H+](C)C/C=C(\C)COC)CCC2 ZINC000930035874 1128567251 /nfs/dbraw/zinc/56/72/51/1128567251.db2.gz WXFUXMGSHMRTNW-TZIYXEQSSA-N 0 1 294.464 3.607 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000567595515 1128567751 /nfs/dbraw/zinc/56/77/51/1128567751.db2.gz KRKVIWNYBSUPAY-IVMMDQJWSA-N 0 1 293.382 3.647 20 0 CHADMN Cc1cccc2nc(CNC(=O)[C@H]3CCCC(C)(C)C3)[nH]c21 ZINC000498388720 1128569263 /nfs/dbraw/zinc/56/92/63/1128569263.db2.gz DBUWKTQPAVSNBO-ZDUSSCGKSA-N 0 1 299.418 3.704 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])C(C)(C)C1 ZINC000569981595 1128613605 /nfs/dbraw/zinc/61/36/05/1128613605.db2.gz KNMVZCDUCXPJMS-JTQLQIEISA-N 0 1 281.783 3.659 20 0 CHADMN CCc1ccc(CN(Cc2c(C)n[nH]c2C)C2CC2)cc1 ZINC000130203581 1128572596 /nfs/dbraw/zinc/57/25/96/1128572596.db2.gz NSXWGKUSHUSSAN-UHFFFAOYSA-N 0 1 283.419 3.754 20 0 CHADMN CC[C@@H](C)[C@@H](CNCc1coc(-c2cccs2)n1)OC ZINC000638431680 1128616674 /nfs/dbraw/zinc/61/66/74/1128616674.db2.gz LMQOPRBFDDOZKW-DGCLKSJQSA-N 0 1 294.420 3.554 20 0 CHADMN C[C@H](NCc1ccc(C#N)cn1)c1ccc2c(c1)CCCC2 ZINC000568166148 1128579689 /nfs/dbraw/zinc/57/96/89/1128579689.db2.gz DMDOURSTQRXILR-AWEZNQCLSA-N 0 1 291.398 3.683 20 0 CHADMN CCCCN(CC)CC(=O)Nc1cc(Cl)ccc1F ZINC000070946539 1128581021 /nfs/dbraw/zinc/58/10/21/1128581021.db2.gz LZUATBDRRRXDAN-UHFFFAOYSA-N 0 1 286.778 3.540 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000568281623 1128581931 /nfs/dbraw/zinc/58/19/31/1128581931.db2.gz UPJIVFGGTNIGAO-OLZOCXBDSA-N 0 1 291.391 3.551 20 0 CHADMN c1cc(CN[C@H](Cc2ccccc2)c2ccccc2)on1 ZINC000071114176 1128583508 /nfs/dbraw/zinc/58/35/08/1128583508.db2.gz ZNWQFPMELNOAFX-GOSISDBHSA-N 0 1 278.355 3.748 20 0 CHADMN CCOc1ccc(CNCc2ccc(CC)o2)cc1OC ZINC000130557935 1128586704 /nfs/dbraw/zinc/58/67/04/1128586704.db2.gz HQGPTSGTVKHHOA-UHFFFAOYSA-N 0 1 289.375 3.539 20 0 CHADMN C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)[C@H]1CCSC1 ZINC000130583994 1128588114 /nfs/dbraw/zinc/58/81/14/1128588114.db2.gz QPEJTWHGBYROPE-LBPRGKRZSA-N 0 1 293.329 3.782 20 0 CHADMN COc1ccc(Cn2c(C)nc3c2CCCC3)cc1Cl ZINC000568950452 1128595356 /nfs/dbraw/zinc/59/53/56/1128595356.db2.gz BVDUCRLBEUBCEZ-UHFFFAOYSA-N 0 1 290.794 3.781 20 0 CHADMN CCC[C@H]1CCCN(Cc2cc(C(C)(C)C)on2)C1 ZINC000569012928 1128596173 /nfs/dbraw/zinc/59/61/73/1128596173.db2.gz OLACUKIEBKNWBY-ZDUSSCGKSA-N 0 1 264.413 3.984 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@@H]2c2cccc(C)n2)o1 ZINC000569066092 1128597724 /nfs/dbraw/zinc/59/77/24/1128597724.db2.gz ZLNFNAVUNIOFCG-OAHLLOKOSA-N 0 1 285.391 3.586 20 0 CHADMN CCc1cccc(CNCc2ccc(C)c(C)n2)c1 ZINC000569108474 1128598514 /nfs/dbraw/zinc/59/85/14/1128598514.db2.gz OTDNARXGRIKTHD-UHFFFAOYSA-N 0 1 254.377 3.551 20 0 CHADMN CCCCCC(C)(C)c1nc(C2(N)CCCC2)no1 ZINC000842587884 1128599683 /nfs/dbraw/zinc/59/96/83/1128599683.db2.gz LSFHUQABPDGIKE-UHFFFAOYSA-N 0 1 265.401 3.656 20 0 CHADMN CC(C)(C)c1cc(CN2CCC[C@H]2C(C)(C)C)no1 ZINC000569275879 1128602868 /nfs/dbraw/zinc/60/28/68/1128602868.db2.gz OPRPUGSQXWATLX-ZDUSSCGKSA-N 0 1 264.413 3.983 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(Cl)c2)nc1 ZINC000131169162 1128607993 /nfs/dbraw/zinc/60/79/93/1128607993.db2.gz GVTLVELCTBEIQZ-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN CN(Cc1cc(-c2cccs2)on1)C(C)(C)C ZINC000569720268 1128608360 /nfs/dbraw/zinc/60/83/60/1128608360.db2.gz NGKXHAYHVJQGPT-UHFFFAOYSA-N 0 1 250.367 3.633 20 0 CHADMN CCC[C@H](C)[C@H](CO)N[C@H](C)c1csc(C(C)C)n1 ZINC000569732024 1128608619 /nfs/dbraw/zinc/60/86/19/1128608619.db2.gz FFZIGXDFWLNEBM-XQQFMLRXSA-N 0 1 284.469 3.714 20 0 CHADMN CCCCc1noc([C@H](C)N2CCC(C)(C3CC3)CC2)n1 ZINC000569770462 1128609354 /nfs/dbraw/zinc/60/93/54/1128609354.db2.gz LBAIRBQCYNSACB-ZDUSSCGKSA-N 0 1 291.439 3.985 20 0 CHADMN O=C(Nc1ccc(F)c(C2CC2)c1)c1cn[nH]c1C1CC1 ZINC000569898609 1128612171 /nfs/dbraw/zinc/61/21/71/1128612171.db2.gz VPCCXJSRGPQYSI-UHFFFAOYSA-N 0 1 285.322 3.556 20 0 CHADMN CC1(C)CCC[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000570169491 1128617725 /nfs/dbraw/zinc/61/77/25/1128617725.db2.gz WTCALRWUIWKYBD-UHFFFAOYSA-N 0 1 281.783 3.660 20 0 CHADMN CCCN(C)[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000072515556 1128619672 /nfs/dbraw/zinc/61/96/72/1128619672.db2.gz WVWYRUMBTIFQBS-SNVBAGLBSA-N 0 1 279.771 3.793 20 0 CHADMN C[N@H+](Cc1ncccc1[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC000556782376 1128622497 /nfs/dbraw/zinc/62/24/97/1128622497.db2.gz SDYLDKVAKLBULT-DOTOQJQBSA-N 0 1 282.387 3.555 20 0 CHADMN C[N@@H+](Cc1ncccc1[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC000556782376 1128622498 /nfs/dbraw/zinc/62/24/98/1128622498.db2.gz SDYLDKVAKLBULT-DOTOQJQBSA-N 0 1 282.387 3.555 20 0 CHADMN C[N@H+](Cc1ncccc1[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000556782377 1128622680 /nfs/dbraw/zinc/62/26/80/1128622680.db2.gz SDYLDKVAKLBULT-NVXWUHKLSA-N 0 1 282.387 3.555 20 0 CHADMN C[N@@H+](Cc1ncccc1[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000556782377 1128622681 /nfs/dbraw/zinc/62/26/81/1128622681.db2.gz SDYLDKVAKLBULT-NVXWUHKLSA-N 0 1 282.387 3.555 20 0 CHADMN CC(C)[C@H](N[C@H]1CC[C@H]1C(C)C)c1nc(C2CC2)no1 ZINC000556859301 1128631336 /nfs/dbraw/zinc/63/13/36/1128631336.db2.gz SNHGHWMBSYBTJA-IHRRRGAJSA-N 0 1 277.412 3.668 20 0 CHADMN CC[N@@H+](CCc1ccc(C)cc1)C1CCC(C(=O)[O-])CC1 ZINC000570584167 1128627684 /nfs/dbraw/zinc/62/76/84/1128627684.db2.gz VSFITSWRMAIQJA-UHFFFAOYSA-N 0 1 289.419 3.503 20 0 CHADMN Cc1noc([C@H](C)N(C)[C@@H]2CC[C@@](C)(c3ccccc3)C2)n1 ZINC000570696615 1128629955 /nfs/dbraw/zinc/62/99/55/1128629955.db2.gz PRSBCOXYIVYVOM-FDQGKXFDSA-N 0 1 299.418 3.881 20 0 CHADMN COc1cncc(C[N@H+]2CC[C@](C)(c3ccc(C)cc3)C2)c1 ZINC000570882442 1128634736 /nfs/dbraw/zinc/63/47/36/1128634736.db2.gz RTWIEFOHDOXVDU-IBGZPJMESA-N 0 1 296.414 3.562 20 0 CHADMN CN(Cc1nnc(C2CC2)o1)C1CCC(C(C)(C)C)CC1 ZINC000556896922 1128638629 /nfs/dbraw/zinc/63/86/29/1128638629.db2.gz LZNUKZUTUDFRMR-UHFFFAOYSA-N 0 1 291.439 3.984 20 0 CHADMN Cc1nc(CN[C@H]2CCC23CCCC3)nc2ccccc12 ZINC000571943660 1128640672 /nfs/dbraw/zinc/64/06/72/1128640672.db2.gz BDZPYIASVXYSPI-INIZCTEOSA-N 0 1 281.403 3.751 20 0 CHADMN C[N@@H+](Cc1ccccc1C(=O)[O-])[C@H]1CCc2ccccc21 ZINC000571932094 1128640755 /nfs/dbraw/zinc/64/07/55/1128640755.db2.gz ZRNUBSUJXBGWQX-KRWDZBQOSA-N 0 1 281.355 3.504 20 0 CHADMN FCCCN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000132080009 1128642832 /nfs/dbraw/zinc/64/28/32/1128642832.db2.gz YEKHXSIPLPDJEG-ZDUSSCGKSA-N 0 1 273.804 3.790 20 0 CHADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](C)c2ccccc21 ZINC000572983704 1128650037 /nfs/dbraw/zinc/65/00/37/1128650037.db2.gz ZBXBKNAGYDKGSP-KBPBESRZSA-N 0 1 297.402 3.519 20 0 CHADMN Cc1ncncc1[C@H](C)NCc1cccc(OCC(C)C)c1 ZINC000572984477 1128650207 /nfs/dbraw/zinc/65/02/07/1128650207.db2.gz DPAZQQWWVHDAEM-AWEZNQCLSA-N 0 1 299.418 3.671 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2nc(C(C)(C)C)cs2)C1 ZINC000572688243 1128646511 /nfs/dbraw/zinc/64/65/11/1128646511.db2.gz LSJCRXHRIBOJJW-GHMZBOCLSA-N 0 1 252.427 3.671 20 0 CHADMN CC(C)NCc1nc(-c2c(Cl)cccc2Cl)no1 ZINC000573220989 1128652034 /nfs/dbraw/zinc/65/20/34/1128652034.db2.gz WDEHLDRMXUANLJ-UHFFFAOYSA-N 0 1 286.162 3.541 20 0 CHADMN Cc1nc(CN[C@H](c2ccccc2C)C(C)C)[nH]c1C ZINC000573460574 1128654703 /nfs/dbraw/zinc/65/47/03/1128654703.db2.gz VWZKGHOZFACZCO-KRWDZBQOSA-N 0 1 271.408 3.822 20 0 CHADMN CCCCN(CC)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000132634984 1128658079 /nfs/dbraw/zinc/65/80/79/1128658079.db2.gz AQFNEFXBTKKTSN-NSHDSACASA-N 0 1 253.390 3.550 20 0 CHADMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1ccsc1C(=O)[O-])C1CC1 ZINC000573975156 1128660838 /nfs/dbraw/zinc/66/08/38/1128660838.db2.gz KQVUJRATEKBRPH-MNOVXSKESA-N 0 1 281.421 3.845 20 0 CHADMN Cc1ccc(CN[C@@H]2CCc3c2cc(F)cc3F)nc1C ZINC000666157769 1128663778 /nfs/dbraw/zinc/66/37/78/1128663778.db2.gz FKNKYLXUZBQXJS-QGZVFWFLSA-N 0 1 288.341 3.754 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OC1CCCCC1 ZINC000920105492 1128664690 /nfs/dbraw/zinc/66/46/90/1128664690.db2.gz UXYGHRHJHKWKCM-UHFFFAOYSA-N 0 1 284.359 3.875 20 0 CHADMN C(c1noc2c1CCCC2)N1CCC2(CCCC2)CC1 ZINC000158393535 1128667336 /nfs/dbraw/zinc/66/73/36/1128667336.db2.gz QANMNQACPOVACQ-UHFFFAOYSA-N 0 1 274.408 3.710 20 0 CHADMN O=C(O[C@H]1CCc2ccccc21)c1cc(-c2ccco2)n[nH]1 ZINC000920131554 1128667705 /nfs/dbraw/zinc/66/77/05/1128667705.db2.gz IWZNYBWJYYPLOO-HNNXBMFYSA-N 0 1 294.310 3.514 20 0 CHADMN FC(F)(F)c1cccnc1CN1CCCCCCC1 ZINC000158957142 1128673349 /nfs/dbraw/zinc/67/33/49/1128673349.db2.gz HCBHWGKAFDRXMU-UHFFFAOYSA-N 0 1 272.314 3.867 20 0 CHADMN CC=CC=CC(=O)Nc1ccc2nc(CCCC)[nH]c2c1 ZINC000920243761 1128675750 /nfs/dbraw/zinc/67/57/50/1128675750.db2.gz MJOMRRAXTQTEFG-PKWCJPJFSA-N 0 1 283.375 3.976 20 0 CHADMN CC[C@@H]1CN(CCCOc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000600696122 1128678782 /nfs/dbraw/zinc/67/87/82/1128678782.db2.gz OMRVBPBUAJDMIE-DZGCQCFKSA-N 0 1 297.826 3.608 20 0 CHADMN Cc1noc([C@@H](C)N2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000600718929 1128679411 /nfs/dbraw/zinc/67/94/11/1128679411.db2.gz PSKQMFZOFZCDCA-ZWNOBZJWSA-N 0 1 291.782 3.582 20 0 CHADMN c1cc2c(o1)CCC[C@H]2NCc1cccc2c1NCCC2 ZINC000159324641 1128680426 /nfs/dbraw/zinc/68/04/26/1128680426.db2.gz CELVESVZFXFQEW-MRXNPFEDSA-N 0 1 282.387 3.805 20 0 CHADMN CC(C)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000923762155 1128686944 /nfs/dbraw/zinc/68/69/44/1128686944.db2.gz XOYMBIRSDWSURP-CYBMUJFWSA-N 0 1 291.782 3.935 20 0 CHADMN CC[C@H]1CN(CCCOc2cc(C)ccc2C)C[C@@H](C)O1 ZINC000601067592 1128695543 /nfs/dbraw/zinc/69/55/43/1128695543.db2.gz LVOAENRHLMKOOG-SJORKVTESA-N 0 1 291.435 3.572 20 0 CHADMN C[C@H]1Oc2ccccc2[C@@H]1NCC1=Cc2ccccc2OC1 ZINC000577980461 1128702084 /nfs/dbraw/zinc/70/20/84/1128702084.db2.gz JRKXSTGOQLAGIW-BFUOFWGJSA-N 0 1 293.366 3.574 20 0 CHADMN CC[C@@H](NCc1ccc(C)o1)c1ccc(C(=O)OC)cc1 ZINC000601304376 1128708523 /nfs/dbraw/zinc/70/85/23/1128708523.db2.gz OGPHDNOQWZBQMB-MRXNPFEDSA-N 0 1 287.359 3.616 20 0 CHADMN C[C@@H](NCc1cnn(CC2CCC2)c1)c1ccc(F)cc1 ZINC000921487403 1128709397 /nfs/dbraw/zinc/70/93/97/1128709397.db2.gz KVCZRISETPZXQM-CYBMUJFWSA-N 0 1 287.382 3.673 20 0 CHADMN CCc1[nH]nc(Cl)c1CN[C@@H]1CCCc2ccccc21 ZINC000921473419 1128710852 /nfs/dbraw/zinc/71/08/52/1128710852.db2.gz OXHUARHOMQTWPR-OAHLLOKOSA-N 0 1 289.810 3.793 20 0 CHADMN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC000578369645 1128715990 /nfs/dbraw/zinc/71/59/90/1128715990.db2.gz UHMAZBIIKJVIDJ-QGZVFWFLSA-N 0 1 297.398 3.838 20 0 CHADMN CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC(=O)c1ccc([O-])cc1 ZINC001258060789 1128720137 /nfs/dbraw/zinc/72/01/37/1128720137.db2.gz LELUXRXVIBELEH-UONOGXRCSA-N 0 1 277.408 3.625 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2F)[C@H](C)O)c(C)s1 ZINC000578514222 1128720171 /nfs/dbraw/zinc/72/01/71/1128720171.db2.gz GIDXOELPTNFOOD-MEDUHNTESA-N 0 1 293.407 3.716 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000578899624 1128731875 /nfs/dbraw/zinc/73/18/75/1128731875.db2.gz XTUCENYQGUVSIR-IOASZLSFSA-N 0 1 273.376 3.538 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccc(F)cc2F)c1 ZINC000034993087 1117756966 /nfs/dbraw/zinc/75/69/66/1117756966.db2.gz FZGDZVSDEKUSBQ-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN C[C@@H]1C[C@H](NCc2cc(C(F)(F)F)ccc2Cl)CO1 ZINC000579712274 1117760902 /nfs/dbraw/zinc/76/09/02/1117760902.db2.gz QAPNGTOMSQFVMR-KCJUWKMLSA-N 0 1 293.716 3.626 20 0 CHADMN Cc1cnc(CN[C@@H]2CCC[C@@H](c3ccccc3)C2)o1 ZINC000683109412 1117770198 /nfs/dbraw/zinc/77/01/98/1117770198.db2.gz DTIIOEYNPMVCFZ-HZPDHXFCSA-N 0 1 270.376 3.799 20 0 CHADMN COCC1(C)CCN(Cc2ccc(Cl)cc2OC)CC1 ZINC000361309893 1117776571 /nfs/dbraw/zinc/77/65/71/1117776571.db2.gz KESMMJKOKLIPNU-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN CSc1cc(Br)ccc1CN[C@H](C)CF ZINC000336730800 1117780704 /nfs/dbraw/zinc/78/07/04/1117780704.db2.gz KKBBVAUHCHJPOQ-MRVPVSSYSA-N 0 1 292.217 3.619 20 0 CHADMN CO[C@H](C)CN(C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000579764077 1117781325 /nfs/dbraw/zinc/78/13/25/1117781325.db2.gz QCBGXNOJISWUAG-SECBINFHSA-N 0 1 295.732 3.826 20 0 CHADMN Cc1cccc(CN2CC[C@H](OCc3ccccc3)C2)c1F ZINC001137675907 1117781433 /nfs/dbraw/zinc/78/14/33/1117781433.db2.gz BEZWMOXJXUQQBW-SFHVURJKSA-N 0 1 299.389 3.925 20 0 CHADMN c1c[nH]c(CN[C@@H](c2ccccc2)C2CCCCC2)n1 ZINC000067695628 1117792438 /nfs/dbraw/zinc/79/24/38/1117792438.db2.gz TYVBUQGVJZXMBE-KRWDZBQOSA-N 0 1 269.392 3.821 20 0 CHADMN Cc1cncc([C@@H](C)N[C@H]2COc3c2ccc(C)c3C)c1 ZINC000274671052 1117798819 /nfs/dbraw/zinc/79/88/19/1117798819.db2.gz YAZRQWGIFDCSOP-PBHICJAKSA-N 0 1 282.387 3.791 20 0 CHADMN CC1=C[C@@H](C)C[C@H](C[N@H+]2CCc3cc(C(=O)[O-])ccc3C2)C1 ZINC000901679131 1117801783 /nfs/dbraw/zinc/80/17/83/1117801783.db2.gz ZWGFNQRMYZRLDL-HIFRSBDPSA-N 0 1 299.414 3.735 20 0 CHADMN Cc1nc(CNCCc2cc3ccccc3s2)cs1 ZINC000339476800 1117803894 /nfs/dbraw/zinc/80/38/94/1117803894.db2.gz BJMGFLYNEORXAJ-UHFFFAOYSA-N 0 1 288.441 3.999 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)[C@@H]2CCCC[C@@H]12 ZINC000579790853 1117805849 /nfs/dbraw/zinc/80/58/49/1117805849.db2.gz CFONVSPXLMXPRK-HZSPNIEDSA-N 0 1 290.455 3.503 20 0 CHADMN C[C@@H](F)CCNCc1csc(-c2cccs2)n1 ZINC000339494331 1117809176 /nfs/dbraw/zinc/80/91/76/1117809176.db2.gz LGIJFULVHVUNRF-SECBINFHSA-N 0 1 270.398 3.709 20 0 CHADMN CCc1c(N[C@H](C)c2cn[nH]c2C)cnn1CCC(C)C ZINC000683158855 1117811202 /nfs/dbraw/zinc/81/12/02/1117811202.db2.gz OYSSKIBAYYSJFI-GFCCVEGCSA-N 0 1 289.427 3.696 20 0 CHADMN CCOc1ccccc1CN(CC)CCC(F)(F)F ZINC000623121657 1117816299 /nfs/dbraw/zinc/81/62/99/1117816299.db2.gz AYSAHIJYZPVXNC-UHFFFAOYSA-N 0 1 275.314 3.860 20 0 CHADMN FC1(F)CC12CCN(Cc1cnc(C3CC3)s1)CC2 ZINC000651953603 1117818505 /nfs/dbraw/zinc/81/85/05/1117818505.db2.gz NWDFVVLIAUXQOV-UHFFFAOYSA-N 0 1 284.375 3.642 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2C)C2CC2)nc(C)n1 ZINC000671302842 1117819886 /nfs/dbraw/zinc/81/98/86/1117819886.db2.gz CTTPSXUPBOFBJW-GOSISDBHSA-N 0 1 281.403 3.643 20 0 CHADMN CC(C)c1ncc2c(n1)CCN([C@@H]1CCc3ccccc31)C2 ZINC000623252511 1117827495 /nfs/dbraw/zinc/82/74/95/1117827495.db2.gz NGHUVTASBNCIJU-GOSISDBHSA-N 0 1 293.414 3.646 20 0 CHADMN CCCOc1c(CN2CC[C@H]2CC)cccc1OCC ZINC000430192654 1117832372 /nfs/dbraw/zinc/83/23/72/1117832372.db2.gz COEMLWGZFPNJML-OAHLLOKOSA-N 0 1 277.408 3.858 20 0 CHADMN CCCCOc1ccc(C[N@H+]2CC[C@@H]2CC)cc1OC ZINC000430194121 1117838017 /nfs/dbraw/zinc/83/80/17/1117838017.db2.gz UCJPDSXTSGLPTE-HNNXBMFYSA-N 0 1 277.408 3.858 20 0 CHADMN Clc1ccccc1CN1CC(c2ccccc2)C1 ZINC001203385213 1117843231 /nfs/dbraw/zinc/84/32/31/1117843231.db2.gz NIGJPAOMRZHHRZ-UHFFFAOYSA-N 0 1 257.764 3.939 20 0 CHADMN CCc1noc(CN[C@H]2CCCC[C@H]2Cc2ccccc2)n1 ZINC000119077813 1117843536 /nfs/dbraw/zinc/84/35/36/1117843536.db2.gz MCUOOAULFHSTRC-HOTGVXAUSA-N 0 1 299.418 3.523 20 0 CHADMN CC(C)(C)[C@H](N[C@@H]1CCn2ccnc21)c1ccccc1 ZINC000345356385 1117850100 /nfs/dbraw/zinc/85/01/00/1117850100.db2.gz UYJBKYRZVHRWHK-HUUCEWRRSA-N 0 1 269.392 3.705 20 0 CHADMN CC(C)(C)c1cnc(CNc2cc3c(cn2)CCC3)s1 ZINC000339554951 1117852013 /nfs/dbraw/zinc/85/20/13/1117852013.db2.gz MUEIZLWSQZRRNY-UHFFFAOYSA-N 0 1 287.432 3.936 20 0 CHADMN CCC(CC)(CCO)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185620743 1117857839 /nfs/dbraw/zinc/85/78/39/1117857839.db2.gz ULUUZMMBVZBBMG-GFCCVEGCSA-N 0 1 299.842 3.885 20 0 CHADMN CSC[C@H]1CCCN(Cc2ncc(C(C)C)s2)C1 ZINC000430201701 1117858742 /nfs/dbraw/zinc/85/87/42/1117858742.db2.gz ZMRIBIRFBKDPHB-LBPRGKRZSA-N 0 1 284.494 3.842 20 0 CHADMN Cc1csc(CNCc2ccc(F)c(F)c2N(C)C)c1 ZINC000623538525 1117870109 /nfs/dbraw/zinc/87/01/09/1117870109.db2.gz HSUPHDSOIDPUPL-UHFFFAOYSA-N 0 1 296.386 3.691 20 0 CHADMN CCc1cccc(CNCc2ccncc2Cl)c1 ZINC000623560809 1117873479 /nfs/dbraw/zinc/87/34/79/1117873479.db2.gz TUNVJIGTAXJEDH-UHFFFAOYSA-N 0 1 260.768 3.587 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NC1CCC(C)(C)CC1 ZINC000119243503 1117878758 /nfs/dbraw/zinc/87/87/58/1117878758.db2.gz VBRTZLFTMNCCDB-UHFFFAOYSA-N 0 1 277.412 3.540 20 0 CHADMN CCOc1cncc(CN[C@H](c2ccccn2)C2CCC2)c1 ZINC000623638544 1117879972 /nfs/dbraw/zinc/87/99/72/1117879972.db2.gz JGJPKRHQKIKODU-SFHVURJKSA-N 0 1 297.402 3.506 20 0 CHADMN Fc1ccc(CNc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000082739908 1117881247 /nfs/dbraw/zinc/88/12/47/1117881247.db2.gz KYKFEERAJOYMJZ-UHFFFAOYSA-N 0 1 275.714 3.968 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccoc2)cc1F ZINC000177903515 1117882173 /nfs/dbraw/zinc/88/21/73/1117882173.db2.gz QEHFRJPRIHUPLT-NSHDSACASA-N 0 1 263.312 3.668 20 0 CHADMN C[C@@H]1CN(Cc2cc(Cl)cc3cccnc32)[C@@H]1C ZINC000339569595 1117885230 /nfs/dbraw/zinc/88/52/30/1117885230.db2.gz RUMWJQQAPXVXLP-GHMZBOCLSA-N 0 1 260.768 3.728 20 0 CHADMN Fc1ccc2oc(CN[C@@H]3CCC[C@@H]3F)cc2c1 ZINC000339582632 1117888364 /nfs/dbraw/zinc/88/83/64/1117888364.db2.gz GYGDKWARXHQWRO-QWHCGFSZSA-N 0 1 251.276 3.552 20 0 CHADMN C[C@@H]1C[C@@H](NCc2ncn(-c3ccccc3)n2)CC(C)(C)C1 ZINC000339582742 1117889477 /nfs/dbraw/zinc/88/94/77/1117889477.db2.gz PYZGUOMXVJPVAO-HUUCEWRRSA-N 0 1 298.434 3.572 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@H](C)c1ccoc1 ZINC000178468499 1117893094 /nfs/dbraw/zinc/89/30/94/1117893094.db2.gz GKZGDKQZBFGBRC-IAQYHMDHSA-N 0 1 257.333 3.626 20 0 CHADMN CCOc1ccc(CN(C)Cc2cc(C)ccc2C)nc1 ZINC000683224074 1117897260 /nfs/dbraw/zinc/89/72/60/1117897260.db2.gz SRLSVROBSBLZGZ-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN COC(=O)c1ccccc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000349790172 1117902889 /nfs/dbraw/zinc/90/28/89/1117902889.db2.gz IFEQYZCDDIDRKL-UHFFFAOYSA-N 0 1 295.382 3.638 20 0 CHADMN COC(=O)c1ccccc1CN(Cc1ccccc1)C1CC1 ZINC000349790172 1117902891 /nfs/dbraw/zinc/90/28/91/1117902891.db2.gz IFEQYZCDDIDRKL-UHFFFAOYSA-N 0 1 295.382 3.638 20 0 CHADMN CCc1nocc1CN(C)[C@@H]1CCCc2ccc(F)cc21 ZINC000339606337 1117910690 /nfs/dbraw/zinc/91/06/90/1117910690.db2.gz FLAAUCPNTLWZEZ-QGZVFWFLSA-N 0 1 288.366 3.886 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cc2ccccn2c1 ZINC000179724494 1117912135 /nfs/dbraw/zinc/91/21/35/1117912135.db2.gz MSJWJVQRJQJGGU-UHFFFAOYSA-N 0 1 286.718 3.551 20 0 CHADMN CC/C=C\CCN1CCc2sc(C(=O)OCC)cc2C1 ZINC001208729019 1117921424 /nfs/dbraw/zinc/92/14/24/1117921424.db2.gz IAXFAIXPTQFDKJ-WAYWQWQTSA-N 0 1 293.432 3.639 20 0 CHADMN C[C@@H]1CCC2=NN(c3ncc(Cl)cc3Cl)C(=O)[C@H]2C1 ZINC000634584252 1117925895 /nfs/dbraw/zinc/92/58/95/1117925895.db2.gz XBFOYFWBACIJNI-APPZFPTMSA-N 0 1 298.173 3.527 20 0 CHADMN C[C@@H]1CCC2=NN(c3ncc(Cl)cc3Cl)C(=O)[C@@H]2C1 ZINC000634584255 1117926541 /nfs/dbraw/zinc/92/65/41/1117926541.db2.gz XBFOYFWBACIJNI-VXNVDRBHSA-N 0 1 298.173 3.527 20 0 CHADMN CC1(C)C(c2nc(-c3ccn4cncc4c3)no2)C1(C)C ZINC000351106059 1117926669 /nfs/dbraw/zinc/92/66/69/1117926669.db2.gz SFNLHAJKPXSTCT-UHFFFAOYSA-N 0 1 282.347 3.534 20 0 CHADMN Cc1ccc(C)c(CN(Cc2cccnc2)C2CC2)c1 ZINC000180275098 1117926678 /nfs/dbraw/zinc/92/66/78/1117926678.db2.gz JSXXTUNSWNELGX-UHFFFAOYSA-N 0 1 266.388 3.863 20 0 CHADMN CN(Cc1ccoc1)Cc1ccc2c(c1)CCCC2 ZINC000430248946 1117927204 /nfs/dbraw/zinc/92/72/04/1117927204.db2.gz HCQPJEXUALFQLQ-UHFFFAOYSA-N 0 1 255.361 3.790 20 0 CHADMN F[C@H]1CN(CCc2ccc(Cl)cc2)CCCC1(F)F ZINC001208737413 1117928247 /nfs/dbraw/zinc/92/82/47/1117928247.db2.gz XIATWDAEEZPANW-ZDUSSCGKSA-N 0 1 291.744 3.952 20 0 CHADMN C[C@H](NCc1cn(C)nc1-c1ccccc1)c1ccoc1 ZINC000180419038 1117929430 /nfs/dbraw/zinc/92/94/30/1117929430.db2.gz DALHOHFNEPDONZ-ZDUSSCGKSA-N 0 1 281.359 3.531 20 0 CHADMN CCC(CC)c1noc(-c2cc3cccnc3[nH]2)n1 ZINC000351202999 1117929890 /nfs/dbraw/zinc/92/98/90/1117929890.db2.gz CLKDYJMSMBGYPS-UHFFFAOYSA-N 0 1 256.309 3.517 20 0 CHADMN CC(C)(C)[C@@H]1CN(Cc2cc3ccccc3o2)CCO1 ZINC000579313875 1128744746 /nfs/dbraw/zinc/74/47/46/1128744746.db2.gz XUJOSIUGEVKHNU-INIZCTEOSA-N 0 1 273.376 3.680 20 0 CHADMN CC[C@@H](CCC(=O)OC)CN1Cc2ccc(Cl)cc2C1 ZINC001208787107 1117935755 /nfs/dbraw/zinc/93/57/55/1117935755.db2.gz ZLEMTTYPBQONLQ-LBPRGKRZSA-N 0 1 295.810 3.635 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N1CCC[C@@H]1CC1CCCC1 ZINC000655366421 1117943120 /nfs/dbraw/zinc/94/31/20/1117943120.db2.gz GDRPYTAKEHKULG-CQSZACIVSA-N 0 1 297.402 3.748 20 0 CHADMN CCCCC[N@@H+](CC1(C(=O)[O-])CC1)[C@@H](C)CCC ZINC000579364942 1128746125 /nfs/dbraw/zinc/74/61/25/1128746125.db2.gz GIIHPTCZLKNRRQ-ZDUSSCGKSA-N 0 1 255.402 3.532 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC001266318399 1117954070 /nfs/dbraw/zinc/95/40/70/1117954070.db2.gz QMCLYZNEZYGKBB-JYJNAYRXSA-N 0 1 282.472 3.534 20 0 CHADMN C[C@H](N[C@@H]1CC1(C)C)c1cc(-c2ccccc2)n(C)n1 ZINC000623933216 1117955976 /nfs/dbraw/zinc/95/59/76/1117955976.db2.gz WJSDWZRVFLZZGU-BLLLJJGKSA-N 0 1 269.392 3.536 20 0 CHADMN CC(=O)c1cc(CN2CC[C@@H](CC(C)(C)C)C2(C)C)on1 ZINC000579370257 1128746381 /nfs/dbraw/zinc/74/63/81/1128746381.db2.gz CCBADFODTWQWLY-ZDUSSCGKSA-N 0 1 292.423 3.914 20 0 CHADMN CC1=C[C@@H](C)CN([C@@H](C)c2nc3ccccc3o2)C1 ZINC000430264788 1117958443 /nfs/dbraw/zinc/95/84/43/1117958443.db2.gz STFKVXZPRWKZFJ-YPMHNXCESA-N 0 1 256.349 3.787 20 0 CHADMN CC1=C[C@H](C)CN([C@@H](C)c2nc3ccccc3o2)C1 ZINC000430264784 1117958675 /nfs/dbraw/zinc/95/86/75/1117958675.db2.gz STFKVXZPRWKZFJ-AAEUAGOBSA-N 0 1 256.349 3.787 20 0 CHADMN CC(C)[C@@]1(CO)CCCN(Cc2ccc(Cl)s2)C1 ZINC000339702571 1117960143 /nfs/dbraw/zinc/96/01/43/1117960143.db2.gz LYBXZWIYFCGZIB-AWEZNQCLSA-N 0 1 287.856 3.632 20 0 CHADMN CC/C=C\CN[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623993136 1117966847 /nfs/dbraw/zinc/96/68/47/1117966847.db2.gz JULBOYFNCLGGNY-VYLZPFMQSA-N 0 1 269.392 3.704 20 0 CHADMN CC[C@@H](C)Oc1cc(CNCc2ccco2)ccc1OC ZINC000624019248 1117971114 /nfs/dbraw/zinc/97/11/14/1117971114.db2.gz LFGBRQSTXKEFTF-CYBMUJFWSA-N 0 1 289.375 3.755 20 0 CHADMN CCCCN(CCOC)Cc1ncc(-c2ccccc2)o1 ZINC000109333508 1117972597 /nfs/dbraw/zinc/97/25/97/1117972597.db2.gz XNIYMSDYEJWUEB-UHFFFAOYSA-N 0 1 288.391 3.590 20 0 CHADMN CCC[C@H](CN[C@H](C)c1nc2c(s1)CCCC2)OCC ZINC000624049628 1117976124 /nfs/dbraw/zinc/97/61/24/1117976124.db2.gz MMGUFWMMJFWCEZ-CHWSQXEVSA-N 0 1 296.480 3.878 20 0 CHADMN c1ccc2c(c1)cccc2C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000430277394 1117983664 /nfs/dbraw/zinc/98/36/64/1117983664.db2.gz YTRLKQAHCOXFIA-MSOLQXFVSA-N 0 1 267.372 3.593 20 0 CHADMN CCCc1ccccc1NC(=O)c1ccc2cncn2c1 ZINC000339847927 1117987319 /nfs/dbraw/zinc/98/73/19/1117987319.db2.gz LZTICMYEQFRQPJ-UHFFFAOYSA-N 0 1 279.343 3.539 20 0 CHADMN CCC(F)(F)CN[C@H](Cc1cccc(OC)c1)C1CC1 ZINC000624148091 1117989180 /nfs/dbraw/zinc/98/91/80/1117989180.db2.gz VALJVOWTYAZSGQ-OAHLLOKOSA-N 0 1 283.362 3.651 20 0 CHADMN CN(CC1CCCCC1)c1cc(Cl)nc2[nH]cnc21 ZINC001167096729 1117993734 /nfs/dbraw/zinc/99/37/34/1117993734.db2.gz UUSMXWISFDLMFJ-UHFFFAOYSA-N 0 1 278.787 3.628 20 0 CHADMN C#CCCCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000186104210 1117994168 /nfs/dbraw/zinc/99/41/68/1117994168.db2.gz LMEZPNUWUDJMNL-NSHDSACASA-N 0 1 296.208 3.609 20 0 CHADMN Clc1cccc(CN(Cc2ccncc2)C2CC2)c1 ZINC000181439474 1117999689 /nfs/dbraw/zinc/99/96/89/1117999689.db2.gz RBIMKRLCVDUBTG-UHFFFAOYSA-N 0 1 272.779 3.900 20 0 CHADMN COc1cncc(CN[C@]2(c3ccccc3)CC2(C)C)c1 ZINC000662341824 1118000218 /nfs/dbraw/zinc/00/02/18/1118000218.db2.gz XSIUPBJXGKLTMI-SFHVURJKSA-N 0 1 282.387 3.505 20 0 CHADMN C[C@H]1CN(Cc2cc3ccccc3cn2)CCC1(F)F ZINC001139996014 1118001041 /nfs/dbraw/zinc/00/10/41/1118001041.db2.gz UXINSTQIJDLSIH-LBPRGKRZSA-N 0 1 276.330 3.712 20 0 CHADMN Cc1nccc(NCc2csc(C(C)C)n2)c1Cl ZINC000705568228 1118007180 /nfs/dbraw/zinc/00/71/80/1118007180.db2.gz GOUOARKXGJDEIS-UHFFFAOYSA-N 0 1 281.812 3.657 20 0 CHADMN CC[C@H](NCc1ccncc1Cl)c1ccc(OC)cc1 ZINC000181829454 1118007341 /nfs/dbraw/zinc/00/73/41/1118007341.db2.gz CJBHMVHDTNKFAN-INIZCTEOSA-N 0 1 290.794 3.985 20 0 CHADMN CCCn1c(C)nnc1CN(CC(C)(C)C)CC(C)(C)C ZINC000182083919 1118014084 /nfs/dbraw/zinc/01/40/84/1118014084.db2.gz ONESFGPASVXDIK-UHFFFAOYSA-N 0 1 294.487 3.891 20 0 CHADMN CCCCc1nc(CN[C@@H](CC)[C@H]2CCCO2)cs1 ZINC000182272668 1118018043 /nfs/dbraw/zinc/01/80/43/1118018043.db2.gz FKVNDWOIGSIZFG-UONOGXRCSA-N 0 1 282.453 3.533 20 0 CHADMN Cc1cc(F)ccc1CN(C)[C@@H](C)c1ccncc1 ZINC000182287047 1118018631 /nfs/dbraw/zinc/01/86/31/1118018631.db2.gz XRZNSCJYVXKVJE-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN Cc1cc(F)ccc1CN(C)[C@@H](C)c1cccnc1 ZINC000182287583 1118019926 /nfs/dbraw/zinc/01/99/26/1118019926.db2.gz MYNWWWMESJTVTQ-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN CC/C=C\CCCCCC[N@H+]1CCC(=O)[C@H](C)C1 ZINC001209286444 1118023666 /nfs/dbraw/zinc/02/36/66/1118023666.db2.gz GOTMGNWSGWKMCN-FOSCPCJNSA-N 0 1 251.414 3.814 20 0 CHADMN CC/C=C\CCCCCCN1CCC(=O)[C@H](C)C1 ZINC001209286444 1118023670 /nfs/dbraw/zinc/02/36/70/1118023670.db2.gz GOTMGNWSGWKMCN-FOSCPCJNSA-N 0 1 251.414 3.814 20 0 CHADMN Cc1nnc([C@H](C)N[C@@H](C)CCCC(F)(F)F)s1 ZINC000359991917 1118024780 /nfs/dbraw/zinc/02/47/80/1118024780.db2.gz ITASOVTYYPPUMV-YUMQZZPRSA-N 0 1 281.347 3.618 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2ccc(Cl)nc2)c1 ZINC000083453974 1118025521 /nfs/dbraw/zinc/02/55/21/1118025521.db2.gz LMCCMPDTLJRGJW-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(F)cc2F)cc1F ZINC000037496153 1118027448 /nfs/dbraw/zinc/02/74/48/1118027448.db2.gz CGMNGQPORZOGCE-SNVBAGLBSA-N 0 1 295.304 3.963 20 0 CHADMN CC[C@](C)(O)CNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000443673666 1118029396 /nfs/dbraw/zinc/02/93/96/1118029396.db2.gz JKOSIIFDEIPVPL-AWEZNQCLSA-N 0 1 298.308 3.827 20 0 CHADMN CC(C)c1nc(CN(C)C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001209386723 1118032785 /nfs/dbraw/zinc/03/27/85/1118032785.db2.gz FBPIKHZWPQMDHD-BTTYYORXSA-N 0 1 296.480 3.902 20 0 CHADMN CC(C)(C)/C=C/C(=O)Nc1cccc(Cl)c1O ZINC000179725324 1128755430 /nfs/dbraw/zinc/75/54/30/1128755430.db2.gz ODESCJJLWCRHCI-BQYQJAHWSA-N 0 1 253.729 3.586 20 0 CHADMN CCC(CC)N(CCOC)Cc1ncc(C(C)C)s1 ZINC000183000440 1118035070 /nfs/dbraw/zinc/03/50/70/1118035070.db2.gz ZZRRABUWFTYEHE-UHFFFAOYSA-N 0 1 284.469 3.904 20 0 CHADMN c1ccc(C2(NCc3cccc4c3OCO4)CCC2)cc1 ZINC000065275599 1118035666 /nfs/dbraw/zinc/03/56/66/1118035666.db2.gz PENYNUDTFDMVQI-UHFFFAOYSA-N 0 1 281.355 3.584 20 0 CHADMN CC(C)c1cnc(CN2CC[C@H](C)[C@@H](C)C2)s1 ZINC000183081708 1118037233 /nfs/dbraw/zinc/03/72/33/1118037233.db2.gz JCGLLFONLPYPSD-RYUDHWBXSA-N 0 1 252.427 3.744 20 0 CHADMN C[C@H](N[C@H]1c2cccc(F)c2CC[C@H]1C)c1nccn1C ZINC000183084460 1118037707 /nfs/dbraw/zinc/03/77/07/1118037707.db2.gz YCOQRLWTLDWZRM-BFQNTYOBSA-N 0 1 287.382 3.533 20 0 CHADMN CCCN(Cc1cccc(C(=O)OC)c1Cl)C1CC1 ZINC000362976072 1118037735 /nfs/dbraw/zinc/03/77/35/1118037735.db2.gz JBMGTFNWEPYCFV-UHFFFAOYSA-N 0 1 281.783 3.501 20 0 CHADMN Cc1cccc(CNCc2ccc(Br)s2)n1 ZINC000048329769 1118041121 /nfs/dbraw/zinc/04/11/21/1118041121.db2.gz XBHSQFNFKZDBRM-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN Oc1ccccc1CCN[C@@H](c1ccco1)c1ccccc1 ZINC000183539992 1118045849 /nfs/dbraw/zinc/04/58/49/1118045849.db2.gz ZWDRINAEXHZBKR-LJQANCHMSA-N 0 1 293.366 3.907 20 0 CHADMN Cc1noc(C)c1CNC1(c2ccccc2)CCCC1 ZINC000183543823 1118046187 /nfs/dbraw/zinc/04/61/87/1118046187.db2.gz SQJIKDOKVPFRHL-UHFFFAOYSA-N 0 1 270.376 3.851 20 0 CHADMN Clc1ncccc1CN[C@@H]1CCc2ccccc21 ZINC000237684576 1128752120 /nfs/dbraw/zinc/75/21/20/1128752120.db2.gz CAHIAIODXCMZCR-CQSZACIVSA-N 0 1 258.752 3.512 20 0 CHADMN C[C@H](CN(C)Cc1nc2ccccc2o1)c1nccs1 ZINC000183988294 1118049790 /nfs/dbraw/zinc/04/97/90/1118049790.db2.gz RVHNWJWITJIMHJ-LLVKDONJSA-N 0 1 287.388 3.520 20 0 CHADMN C[C@H](NCCOC(C)(C)C)c1nc(C(C)(C)C)cs1 ZINC000184458867 1118054938 /nfs/dbraw/zinc/05/49/38/1118054938.db2.gz UFQXJARYWVECPH-NSHDSACASA-N 0 1 284.469 3.906 20 0 CHADMN CC(C)CCN(C)Cc1nc2ccc(F)cc2s1 ZINC000683350462 1118062997 /nfs/dbraw/zinc/06/29/97/1118062997.db2.gz JOVUXLOHWRMBRG-UHFFFAOYSA-N 0 1 266.385 3.913 20 0 CHADMN C[C@@H](NC(=O)C=CC1CCCCC1)c1nc2ccccc2[nH]1 ZINC000255055528 1118065322 /nfs/dbraw/zinc/06/53/22/1118065322.db2.gz VARYPGCVZANORK-YLGBQOPLSA-N 0 1 297.402 3.877 20 0 CHADMN Fc1ccc(F)c(CN[C@@H](c2cccnc2)C2CC2)c1 ZINC000340109502 1118068207 /nfs/dbraw/zinc/06/82/07/1118068207.db2.gz QPBQRVSYTQXYNL-MRXNPFEDSA-N 0 1 274.314 3.601 20 0 CHADMN CC(C)Oc1ccccc1CNc1ncnc2ccsc21 ZINC000340110865 1118069371 /nfs/dbraw/zinc/06/93/71/1118069371.db2.gz BSUGUDFNDAABTB-UHFFFAOYSA-N 0 1 299.399 3.513 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1ccc(Br)o1 ZINC000306623451 1118076669 /nfs/dbraw/zinc/07/66/69/1118076669.db2.gz DRWJRSPCMFZBGE-UWVGGRQHSA-N 0 1 272.186 3.805 20 0 CHADMN CCN1CCC[C@@H]1c1ccc(Br)cc1 ZINC000147416627 1118079580 /nfs/dbraw/zinc/07/95/80/1118079580.db2.gz PMWKYWGZCFRZMJ-GFCCVEGCSA-N 0 1 254.171 3.606 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@]3(C2)CCCCO3)c1Cl ZINC001238778542 1118082501 /nfs/dbraw/zinc/08/25/01/1118082501.db2.gz ZVYBWAKHUYGDFL-INIZCTEOSA-N 0 1 297.801 3.933 20 0 CHADMN CC[C@H](NCc1cnc(C)o1)c1cccc(Cl)c1 ZINC000398119534 1118084278 /nfs/dbraw/zinc/08/42/78/1118084278.db2.gz WHLCUOWBRHOMOT-AWEZNQCLSA-N 0 1 264.756 3.877 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(OC(C)C)cc2)cn1 ZINC001204458217 1118089340 /nfs/dbraw/zinc/08/93/40/1118089340.db2.gz XMALUYRMYFHGKO-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN COc1ncccc1CN[C@H](C)c1cccc(C2CC2)c1 ZINC000340173949 1118098293 /nfs/dbraw/zinc/09/82/93/1118098293.db2.gz MFQREVHVQDOIRS-CYBMUJFWSA-N 0 1 282.387 3.818 20 0 CHADMN CC[C@H]1CCCCN1Cc1nc(-c2cccc(C)c2)no1 ZINC000042121786 1118102256 /nfs/dbraw/zinc/10/22/56/1118102256.db2.gz FOOCVCNYPQTYMK-HNNXBMFYSA-N 0 1 285.391 3.810 20 0 CHADMN Cc1cccc(CN2CC[C@@H](C(=O)c3ccccc3)C2)c1F ZINC001137680114 1118107522 /nfs/dbraw/zinc/10/75/22/1118107522.db2.gz MPONSHDTRGTYFV-QGZVFWFLSA-N 0 1 297.373 3.839 20 0 CHADMN C[C@H](N[C@H]1CCc2c1cc(F)cc2F)c1cccnc1 ZINC000120956860 1118108100 /nfs/dbraw/zinc/10/81/00/1118108100.db2.gz TZYUOKIBNGUEQU-QFYYESIMSA-N 0 1 274.314 3.698 20 0 CHADMN C[C@@H]1CCCCN(Cc2cc(C(F)(F)F)ccn2)C1 ZINC001140104028 1118119375 /nfs/dbraw/zinc/11/93/75/1118119375.db2.gz AAOZTSHPBRCXHQ-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN Clc1ccc(CN2CC[C@H]3OCC[C@H]3C2)c(Cl)c1 ZINC001203392997 1118122964 /nfs/dbraw/zinc/12/29/64/1118122964.db2.gz ROMOMUYALZUIQD-SMDDNHRTSA-N 0 1 286.202 3.604 20 0 CHADMN CCC[C@H](C)N(C)Cc1ncc(-c2ccccc2)o1 ZINC000042147531 1118123986 /nfs/dbraw/zinc/12/39/86/1118123986.db2.gz PSJLNTLRLFVRGF-ZDUSSCGKSA-N 0 1 258.365 3.962 20 0 CHADMN Cc1nc(C2(NC[C@H]3CCC(F)(F)C3)CCCCC2)no1 ZINC000340282602 1118130067 /nfs/dbraw/zinc/13/00/67/1118130067.db2.gz ATOICLWOSCERPE-LBPRGKRZSA-N 0 1 299.365 3.562 20 0 CHADMN CN(Cc1cncnc1)Cc1ccccc1-c1ccccc1 ZINC000121154120 1118135422 /nfs/dbraw/zinc/13/54/22/1118135422.db2.gz JGNVZGRCTQAPMX-UHFFFAOYSA-N 0 1 289.382 3.776 20 0 CHADMN COc1ccc(OC)c(C[N@H+]2CCc3cc(C)ccc3C2)c1 ZINC001203534672 1118136215 /nfs/dbraw/zinc/13/62/15/1118136215.db2.gz VSRRWUJYNKWRHU-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN COc1ccc(OC)c(CN2CCc3cc(C)ccc3C2)c1 ZINC001203534672 1118136218 /nfs/dbraw/zinc/13/62/18/1118136218.db2.gz VSRRWUJYNKWRHU-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN C[C@H](NCCO[C@@H]1CCCC[C@H]1C)c1cccnc1Cl ZINC000765240697 1118140035 /nfs/dbraw/zinc/14/00/35/1118140035.db2.gz XOWAKOKUFXXSRM-VNHYZAJKSA-N 0 1 296.842 3.981 20 0 CHADMN C[C@H](CN1C[C@@H](C)[C@@H]1C)c1cccc(Br)c1 ZINC000816648494 1118140169 /nfs/dbraw/zinc/14/01/69/1118140169.db2.gz LJCDJQHQHXKUOR-UTUOFQBUSA-N 0 1 282.225 3.893 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1ccc([C@@H](C)O)cc1 ZINC000765305418 1118144528 /nfs/dbraw/zinc/14/45/28/1118144528.db2.gz PBRVKGYUZZFATF-LSDHHAIUSA-N 0 1 299.414 3.989 20 0 CHADMN Cc1ncc(CN[C@@H]2CCc3c2cc(F)cc3F)s1 ZINC000121279087 1118145840 /nfs/dbraw/zinc/14/58/40/1118145840.db2.gz DDZUXIYYHOYMKA-CQSZACIVSA-N 0 1 280.343 3.507 20 0 CHADMN COCc1cc([C@H](C)NCc2ccoc2C)ccc1OC ZINC000765397579 1118148575 /nfs/dbraw/zinc/14/85/75/1118148575.db2.gz RDQTWDROEAFHEN-LBPRGKRZSA-N 0 1 289.375 3.594 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ncc[nH]1)c1cc(C)ccc1C ZINC000528021900 1118150755 /nfs/dbraw/zinc/15/07/55/1118150755.db2.gz TYFMZMIAGRBGAG-DZGCQCFKSA-N 0 1 257.381 3.828 20 0 CHADMN C[N@@H+](Cc1ccccc1C(=O)[O-])C1CCC(C)(C)CC1 ZINC000094860137 1118152729 /nfs/dbraw/zinc/15/27/29/1118152729.db2.gz MKMNGHNENIVBEZ-UHFFFAOYSA-N 0 1 275.392 3.785 20 0 CHADMN CCN(C(=O)c1cc(-c2ccoc2)n[nH]1)c1cccc(C)c1 ZINC000615688986 1128759107 /nfs/dbraw/zinc/75/91/07/1128759107.db2.gz CDFDLMCEDRVOHH-UHFFFAOYSA-N 0 1 295.342 3.645 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(C)cc2C)nc1 ZINC000154909134 1118158312 /nfs/dbraw/zinc/15/83/12/1118158312.db2.gz QOCHLSQOROCBDN-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN CC[C@H](C)CN(C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000171950400 1118160881 /nfs/dbraw/zinc/16/08/81/1118160881.db2.gz FHWREZDWPMHAPR-NSHDSACASA-N 0 1 293.798 3.868 20 0 CHADMN COC(=O)c1cc(N)c(NC2=CCC(C)(C)CC2)s1 ZINC001210167651 1118174664 /nfs/dbraw/zinc/17/46/64/1118174664.db2.gz WFGIVCGATBKLKQ-UHFFFAOYSA-N 0 1 280.393 3.623 20 0 CHADMN Cc1ccc(NC(=O)CN(C)[C@@H](C)c2ccccc2)cc1C ZINC000020813428 1118174796 /nfs/dbraw/zinc/17/47/96/1118174796.db2.gz XLPPROKYPNFJRD-INIZCTEOSA-N 0 1 296.414 3.935 20 0 CHADMN O=c1nc([C@@H]2CCCC(F)(F)C2)[nH]c2ccsc21 ZINC000286943335 1118175558 /nfs/dbraw/zinc/17/55/58/1118175558.db2.gz AEDVEACABINVQR-SSDOTTSWSA-N 0 1 270.304 3.690 20 0 CHADMN CCOc1cccc(CNCc2nccc3c2CCCC3)c1 ZINC000921541159 1118176552 /nfs/dbraw/zinc/17/65/52/1118176552.db2.gz YRSGMKNIFQKRIJ-UHFFFAOYSA-N 0 1 296.414 3.649 20 0 CHADMN Clc1ccc2nc(SCCc3ccncc3)[nH]c2c1 ZINC000023138185 1118178903 /nfs/dbraw/zinc/17/89/03/1118178903.db2.gz WWJVBDRIZKYIEN-UHFFFAOYSA-N 0 1 289.791 3.946 20 0 CHADMN O=C(/C=C\c1cccs1)Nc1cccc(Cl)c1O ZINC000255077830 1118181377 /nfs/dbraw/zinc/18/13/77/1118181377.db2.gz XUFVQZYGVYPQEP-SREVYHEPSA-N 0 1 279.748 3.759 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(-c2cc(F)cc(F)c2)no1 ZINC000386633938 1118182523 /nfs/dbraw/zinc/18/25/23/1118182523.db2.gz HBSGTMYNYUWPQA-GFCCVEGCSA-N 0 1 295.333 3.712 20 0 CHADMN CCOc1ccc([C@H](C)N[C@@H](C)c2cncnc2C)cc1 ZINC000655695559 1118186215 /nfs/dbraw/zinc/18/62/15/1118186215.db2.gz MVRRMKMLEIEWEA-JSGCOSHPSA-N 0 1 285.391 3.596 20 0 CHADMN COCCN(Cc1ccco1)Cc1cc(C)ccc1C ZINC000046601048 1118188479 /nfs/dbraw/zinc/18/84/79/1118188479.db2.gz LHTORTMVKFEYMD-UHFFFAOYSA-N 0 1 273.376 3.545 20 0 CHADMN Cc1cccc([C@@H](C)N[C@@H]2CCCn3ccnc32)c1C ZINC000655714675 1118191806 /nfs/dbraw/zinc/19/18/06/1118191806.db2.gz CRIMLHIJZHNENX-GDBMZVCRSA-N 0 1 269.392 3.686 20 0 CHADMN C[C@H]1CC[C@@H](NCc2nc(C(F)(F)F)cs2)CS1 ZINC000655723178 1118193940 /nfs/dbraw/zinc/19/39/40/1118193940.db2.gz HZHLSDPHRLGIGY-JGVFFNPUSA-N 0 1 296.383 3.536 20 0 CHADMN Fc1ccc([C@@H]2CCN(Cc3cccnc3Cl)C2)cc1 ZINC000755997738 1118195560 /nfs/dbraw/zinc/19/55/60/1118195560.db2.gz YESUUCUPVQNMSI-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN CCOc1ccc(CNCc2nccc3c2CCCC3)cc1 ZINC000921597349 1118204163 /nfs/dbraw/zinc/20/41/63/1118204163.db2.gz XYXVFTFSEQXZRC-UHFFFAOYSA-N 0 1 296.414 3.649 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCn3ccnc31)CCC2 ZINC000655767855 1118204484 /nfs/dbraw/zinc/20/44/84/1118204484.db2.gz LAJCTFFSDLXICT-DLBZAZTESA-N 0 1 281.403 3.694 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1cnn(CC2CCC2)c1 ZINC000921614126 1118206411 /nfs/dbraw/zinc/20/64/11/1118206411.db2.gz NJVWFDIUSBCCFC-SFHVURJKSA-N 0 1 299.393 3.599 20 0 CHADMN C[C@@H]1CCC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2Cl)C1 ZINC000026466909 1118208958 /nfs/dbraw/zinc/20/89/58/1118208958.db2.gz OOMVDMKPBQZJQB-OLZOCXBDSA-N 0 1 294.826 3.789 20 0 CHADMN CCc1ccccc1Cc1noc(CN2[C@H](C)CC[C@@H]2C)n1 ZINC000683597464 1118212372 /nfs/dbraw/zinc/21/23/72/1118212372.db2.gz JYHLYCLNYVRADN-OKILXGFUSA-N 0 1 299.418 3.596 20 0 CHADMN CCC[C@@H](C)N(C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000030269783 1118217735 /nfs/dbraw/zinc/21/77/35/1118217735.db2.gz OXZUCAPKAVXITI-SNVBAGLBSA-N 0 1 293.798 3.609 20 0 CHADMN CC[C@@H](NCc1cnc(N(C)C)s1)c1ccccc1F ZINC000655805927 1118218217 /nfs/dbraw/zinc/21/82/17/1118218217.db2.gz NOJPHPWWZQYTRP-CQSZACIVSA-N 0 1 293.411 3.589 20 0 CHADMN CC(C)Cn1ccnc1NCc1cc2ccccc2[nH]1 ZINC000671673423 1118224365 /nfs/dbraw/zinc/22/43/65/1118224365.db2.gz BCRMSHAJHOXZGQ-UHFFFAOYSA-N 0 1 268.364 3.633 20 0 CHADMN Cc1nccc(NCc2ccc3occc3c2)c1Cl ZINC000671673041 1118224787 /nfs/dbraw/zinc/22/47/87/1118224787.db2.gz CYJVILOLJIYIMS-UHFFFAOYSA-N 0 1 272.735 3.824 20 0 CHADMN CCC(CC)CN(CC)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000032263020 1118224863 /nfs/dbraw/zinc/22/48/63/1118224863.db2.gz PSSGPMQUFOTXTA-UHFFFAOYSA-N 0 1 299.418 3.975 20 0 CHADMN CCCCC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000032466011 1118225578 /nfs/dbraw/zinc/22/55/78/1118225578.db2.gz UKSWMRIFVGAYRI-UHFFFAOYSA-N 0 1 273.380 3.989 20 0 CHADMN CC(C)c1noc(CN2C[C@@H](c3ccccc3)C[C@H]2C)n1 ZINC000172307285 1118232449 /nfs/dbraw/zinc/23/24/49/1118232449.db2.gz ZTXGHMMGERAZKO-HIFRSBDPSA-N 0 1 285.391 3.571 20 0 CHADMN Cc1nc([C@H](C)N[C@H]2C[C@H](OC(C)(C)C)C2)c(C)s1 ZINC000655838599 1118232675 /nfs/dbraw/zinc/23/26/75/1118232675.db2.gz DTEKNIHBJIDWCL-XDTLVQLUSA-N 0 1 282.453 3.757 20 0 CHADMN Cc1ccc(-c2nnc(CN([C@@H](C)C3CC3)C3CC3)o2)cc1 ZINC000042123745 1118234266 /nfs/dbraw/zinc/23/42/66/1118234266.db2.gz YPYZFRXDVQJBDV-ZDUSSCGKSA-N 0 1 297.402 3.808 20 0 CHADMN CC(C)(C)O[C@H]1C[C@H](NCc2csc(C(C)(C)C)n2)C1 ZINC000655845253 1118237252 /nfs/dbraw/zinc/23/72/52/1118237252.db2.gz YMUCVIDFIHTLEE-AULYBMBSSA-N 0 1 296.480 3.876 20 0 CHADMN c1cc(CNC2(c3ccccc3)CCC2)n(C2CCC2)n1 ZINC000921629510 1118239063 /nfs/dbraw/zinc/23/90/63/1118239063.db2.gz LRWLUPFWKQMWTN-UHFFFAOYSA-N 0 1 281.403 3.777 20 0 CHADMN Cc1csc(C2(NCc3ccc(C)s3)CCC2)n1 ZINC000340432680 1118240988 /nfs/dbraw/zinc/24/09/88/1118240988.db2.gz GCZOTOXKZBSURW-UHFFFAOYSA-N 0 1 278.446 3.990 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)Nc1ccc2ccccc2c1 ZINC000188825976 1128764764 /nfs/dbraw/zinc/76/47/64/1128764764.db2.gz UGQJEKPNTXPWJB-UHFFFAOYSA-N 0 1 279.343 3.939 20 0 CHADMN C=Cc1ccc(CNc2ccncc2C(F)(F)F)cc1 ZINC001168575261 1118243031 /nfs/dbraw/zinc/24/30/31/1118243031.db2.gz IYWPSDCPMDLSRT-UHFFFAOYSA-N 0 1 278.277 3.777 20 0 CHADMN CC[C@@H](NCc1ncc(C(C)(C)C)s1)[C@@H]1CCCCO1 ZINC000655855660 1118245520 /nfs/dbraw/zinc/24/55/20/1118245520.db2.gz GCFTUAWYIPITJZ-OLZOCXBDSA-N 0 1 296.480 3.878 20 0 CHADMN CC(C)n1ccc(Nc2ccnc(C(C)(C)C)c2)n1 ZINC001210341543 1118250669 /nfs/dbraw/zinc/25/06/69/1118250669.db2.gz KXMGNACLBVUTLR-UHFFFAOYSA-N 0 1 258.369 3.900 20 0 CHADMN CCc1nc(CNCCc2ccc3ccccc3n2)cs1 ZINC000340442535 1118252385 /nfs/dbraw/zinc/25/23/85/1118252385.db2.gz AXIRXNKOOFKXFS-UHFFFAOYSA-N 0 1 297.427 3.586 20 0 CHADMN CCN(Cc1ncc(C(C)(C)C)o1)CC1CCC1 ZINC000409445417 1118253159 /nfs/dbraw/zinc/25/31/59/1118253159.db2.gz QOMXUUOTEZVJOB-UHFFFAOYSA-N 0 1 250.386 3.594 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000214207924 1118258722 /nfs/dbraw/zinc/25/87/22/1118258722.db2.gz PYCHDYNQIOBNBB-CQSZACIVSA-N 0 1 279.355 3.679 20 0 CHADMN CCN(Cc1ccc(C(F)F)nc1)[C@H](C)c1cccnc1 ZINC000639177073 1118263463 /nfs/dbraw/zinc/26/34/63/1118263463.db2.gz AJIHAZQUSRZOQV-GFCCVEGCSA-N 0 1 291.345 3.997 20 0 CHADMN Cc1ncc(CN[C@H](c2cccc(F)c2)C(C)(C)C)cn1 ZINC000351729951 1118265226 /nfs/dbraw/zinc/26/52/26/1118265226.db2.gz JOXACVCCDCTRRC-MRXNPFEDSA-N 0 1 287.382 3.801 20 0 CHADMN COc1cc([C@@H](C)NCc2cccc(Cl)c2)ccn1 ZINC000340461821 1118266743 /nfs/dbraw/zinc/26/67/43/1118266743.db2.gz IZAIPTOQGSOMMP-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN CCO[C@@H]1CCCN(Cc2ccc(C)cc2Cl)C1 ZINC000683667798 1118269755 /nfs/dbraw/zinc/26/97/55/1118269755.db2.gz JIFCICIAGZPZGQ-CQSZACIVSA-N 0 1 267.800 3.649 20 0 CHADMN Fc1ccc(CN[C@@H]2CCSc3ccccc32)cn1 ZINC000188967118 1128766787 /nfs/dbraw/zinc/76/67/87/1128766787.db2.gz LWBWLTPDPHBUGY-CYBMUJFWSA-N 0 1 274.364 3.547 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3ccoc3C3CC3)ccc12 ZINC000282164254 1118272710 /nfs/dbraw/zinc/27/27/10/1118272710.db2.gz CIKWKYUCPOEHOJ-UHFFFAOYSA-N 0 1 281.315 3.594 20 0 CHADMN CC(=Cc1ccccc1)CN[C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000282164246 1118273203 /nfs/dbraw/zinc/27/32/03/1118273203.db2.gz YAVUZWNUAPFQAQ-UELRPHRMSA-N 0 1 284.407 3.682 20 0 CHADMN C[C@H]1[C@@H](C)N(Cc2cncc(Cl)c2Cl)C[C@H]1C ZINC001652692188 1118273695 /nfs/dbraw/zinc/27/36/95/1118273695.db2.gz GDRUGCCKXWWBSX-OPRDCNLKSA-N 0 1 273.207 3.865 20 0 CHADMN Cc1ccc([C@@H](NCCOCC(C)C)c2ccccn2)cc1 ZINC000282175407 1118275050 /nfs/dbraw/zinc/27/50/50/1118275050.db2.gz VLCRDYYZDRWOQA-LJQANCHMSA-N 0 1 298.430 3.742 20 0 CHADMN Cc1ccccc1C[C@@H](C)N(C)Cc1noc2c1CCCC2 ZINC000683678518 1118276503 /nfs/dbraw/zinc/27/65/03/1118276503.db2.gz NLAQEAOTRHREPQ-OAHLLOKOSA-N 0 1 298.430 3.925 20 0 CHADMN Cc1cc(C(C)(C)C)cc(C)c1CN(C)Cc1cnn(C)c1 ZINC000057599989 1118282016 /nfs/dbraw/zinc/28/20/16/1118282016.db2.gz VZANLHBELRWZFE-UHFFFAOYSA-N 0 1 299.462 3.966 20 0 CHADMN C[C@H](N[C@@H]1CCCc2ccc(Cl)cc21)c1cnccn1 ZINC000624328857 1118284537 /nfs/dbraw/zinc/28/45/37/1118284537.db2.gz DRICEPTUTIBEDW-XHDPSFHLSA-N 0 1 287.794 3.858 20 0 CHADMN CC(C)c1cc(CNC/C=C\c2ccc(F)c(F)c2)on1 ZINC000671710980 1118285287 /nfs/dbraw/zinc/28/52/87/1118285287.db2.gz QXUVRPXEGIYLML-ARJAWSKDSA-N 0 1 292.329 3.879 20 0 CHADMN Clc1ccc(CN[C@H]2CCCNc3ccccc32)o1 ZINC000683692874 1118289972 /nfs/dbraw/zinc/28/99/72/1118289972.db2.gz WYQXINYUWOMSQP-AWEZNQCLSA-N 0 1 276.767 3.970 20 0 CHADMN CC1CCC([N@@H+](C)Cc2ncc(C(C)(C)C)o2)CC1 ZINC000058563848 1118290046 /nfs/dbraw/zinc/29/00/46/1118290046.db2.gz DMIXKMOPHLMRHH-UHFFFAOYSA-N 0 1 264.413 3.983 20 0 CHADMN CC1CCC(N(C)Cc2ncc(C(C)(C)C)o2)CC1 ZINC000058563848 1118290049 /nfs/dbraw/zinc/29/00/49/1118290049.db2.gz DMIXKMOPHLMRHH-UHFFFAOYSA-N 0 1 264.413 3.983 20 0 CHADMN CCN(CCC(F)(F)F)Cc1ccc(C)c(OC)c1 ZINC000683697084 1118291652 /nfs/dbraw/zinc/29/16/52/1118291652.db2.gz BKISQNGRVZAAME-UHFFFAOYSA-N 0 1 275.314 3.778 20 0 CHADMN COc1ccccc1CN(C)C/C=C/c1ccccc1 ZINC000058876266 1118293946 /nfs/dbraw/zinc/29/39/46/1118293946.db2.gz QISCXNFNBFPRFC-DHZHZOJOSA-N 0 1 267.372 3.840 20 0 CHADMN CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)N(C)c1ccccc1)C1CC1 ZINC000060562506 1118300185 /nfs/dbraw/zinc/30/01/85/1118300185.db2.gz HTHGLHNXQRZTBI-HUUCEWRRSA-N 0 1 288.435 3.548 20 0 CHADMN CC(C)CN(Cc1nc(Cc2ccccc2)no1)C(C)C ZINC000060857100 1118303910 /nfs/dbraw/zinc/30/39/10/1118303910.db2.gz RVRAWDCNPLMOTJ-UHFFFAOYSA-N 0 1 287.407 3.527 20 0 CHADMN CCCc1noc(CN2CCC[C@@H]2CC2CCCCC2)n1 ZINC000061040302 1118305203 /nfs/dbraw/zinc/30/52/03/1118305203.db2.gz OQUFUZSVKNBCPW-OAHLLOKOSA-N 0 1 291.439 3.957 20 0 CHADMN CCc1ccc(-c2noc(CN3CCCC[C@H]3C)n2)cc1 ZINC000061758579 1118308539 /nfs/dbraw/zinc/30/85/39/1118308539.db2.gz VTXFQCSWTFXQQN-CYBMUJFWSA-N 0 1 285.391 3.673 20 0 CHADMN CC[C@@H](CNc1cnn(-c2ccncc2)c1)c1ccccc1 ZINC001649070769 1118312020 /nfs/dbraw/zinc/31/20/20/1118312020.db2.gz KPSVOMLDSFGFNU-HNNXBMFYSA-N 0 1 292.386 3.873 20 0 CHADMN CC[C@H](N[C@@H]1CCC[C@H]1F)c1ccccc1OC ZINC000340523041 1118316307 /nfs/dbraw/zinc/31/63/07/1118316307.db2.gz MPJUGQVSNOFTTN-HZSPNIEDSA-N 0 1 251.345 3.627 20 0 CHADMN CC[C@H](N[C@H]1CCC[C@@H]1F)c1ccc(F)cc1F ZINC000340524765 1118317289 /nfs/dbraw/zinc/31/72/89/1118317289.db2.gz AXMJDIJCRRDETB-UBHSHLNASA-N 0 1 257.299 3.896 20 0 CHADMN COc1cc([C@H](C)NCc2cc3ccccc3o2)ccn1 ZINC000340524484 1118317416 /nfs/dbraw/zinc/31/74/16/1118317416.db2.gz ICYAFHHZSOQFHK-LBPRGKRZSA-N 0 1 282.343 3.687 20 0 CHADMN F[C@@H]1CCC[C@H]1N[C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000340525035 1118317657 /nfs/dbraw/zinc/31/76/57/1118317657.db2.gz DLQHLPSEDLQKMK-IXDOHACOSA-N 0 1 289.394 3.869 20 0 CHADMN CCc1ccc([C@@H]2CCCN([C@H](C)c3nc(C)no3)C2)cc1 ZINC000671732813 1118321625 /nfs/dbraw/zinc/32/16/25/1118321625.db2.gz LANMDBCMAQGNHF-CXAGYDPISA-N 0 1 299.418 3.881 20 0 CHADMN Cc1scc(CNCc2cc(F)ccc2F)c1C ZINC000399834079 1118328567 /nfs/dbraw/zinc/32/85/67/1118328567.db2.gz PCINMVYMIDJAPF-UHFFFAOYSA-N 0 1 267.344 3.933 20 0 CHADMN C[C@H]1OCC[C@@]1(C)NCc1cc(Cl)sc1Cl ZINC000312631627 1118331680 /nfs/dbraw/zinc/33/16/80/1118331680.db2.gz URKRUEXNLOZQDM-RDDDGLTNSA-N 0 1 280.220 3.712 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)CO2 ZINC000090452552 1118333846 /nfs/dbraw/zinc/33/38/46/1118333846.db2.gz JVYZQGUTDBAUGB-KDOFPFPSSA-N 0 1 296.414 3.845 20 0 CHADMN Cc1cnc(Cl)c(-c2nc3ccc(F)cc3[nH]2)c1 ZINC000149671665 1118335770 /nfs/dbraw/zinc/33/57/70/1118335770.db2.gz MRWWBNKLYOIUFZ-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc(CC(C)C)c2)ncn1 ZINC000671754242 1118346383 /nfs/dbraw/zinc/34/63/83/1118346383.db2.gz LCBUEJCBXFPVKX-HNNXBMFYSA-N 0 1 283.419 3.834 20 0 CHADMN Cc1cc(C)cc(CNCc2cc(F)ccc2F)c1 ZINC000083446764 1118354403 /nfs/dbraw/zinc/35/44/03/1118354403.db2.gz WEZVFMVPLHZUDI-UHFFFAOYSA-N 0 1 261.315 3.871 20 0 CHADMN CN(CC(=O)c1ccccc1)[C@@H]1CCCC(C)(C)C1 ZINC000708677542 1118358335 /nfs/dbraw/zinc/35/83/35/1118358335.db2.gz SWVIKYPVGRMBSC-OAHLLOKOSA-N 0 1 259.393 3.770 20 0 CHADMN c1nc(CSc2nc(-c3ccccc3)n[nH]2)oc1C1CC1 ZINC000340579167 1118369642 /nfs/dbraw/zinc/36/96/42/1118369642.db2.gz NVQFVOVADLVRFV-UHFFFAOYSA-N 0 1 298.371 3.629 20 0 CHADMN COc1ccc(CNCc2ccoc2)cc1OCC(C)C ZINC000069833049 1118370380 /nfs/dbraw/zinc/37/03/80/1118370380.db2.gz NXWRBGIXLDOPSG-UHFFFAOYSA-N 0 1 289.375 3.613 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cc(C)cc(C)c1 ZINC001239525503 1118375549 /nfs/dbraw/zinc/37/55/49/1118375549.db2.gz WLRHBLMJMWVFOJ-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)N(Cc3nnc(C4CC4)o3)C2)cc1 ZINC000683799529 1118376544 /nfs/dbraw/zinc/37/65/44/1118376544.db2.gz CGEULUQNUQREND-CJNGLKHVSA-N 0 1 297.402 3.633 20 0 CHADMN Oc1cc(F)cc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000253064623 1118378214 /nfs/dbraw/zinc/37/82/14/1118378214.db2.gz HQSNKDCXURWSOK-KGLIPLIRSA-N 0 1 263.356 3.543 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccccc2C)nc1 ZINC000379236376 1128773993 /nfs/dbraw/zinc/77/39/93/1128773993.db2.gz VBORSMPLRBCGAG-CQSZACIVSA-N 0 1 254.377 3.803 20 0 CHADMN CC=C(C)N=c1[nH]c2cc(Br)ccc2o1 ZINC001210792066 1118389286 /nfs/dbraw/zinc/38/92/86/1118389286.db2.gz JEUJSWFPEMFOOK-XVNBXDOJSA-N 0 1 267.126 3.926 20 0 CHADMN Cc1ncsc1CN(C)Cc1ccc2cnccc2c1 ZINC000683829383 1118394576 /nfs/dbraw/zinc/39/45/76/1118394576.db2.gz BSJKKHLRBGDMDB-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN CCOc1ccc(CN(CC)CCC(F)(F)F)cc1F ZINC000683827832 1118394616 /nfs/dbraw/zinc/39/46/16/1118394616.db2.gz HIJNVFBYVXGNIK-UHFFFAOYSA-N 0 1 293.304 3.999 20 0 CHADMN Cc1ccc2[nH]c(NCc3ccc(F)cc3)nc2c1 ZINC000041602809 1118395396 /nfs/dbraw/zinc/39/53/96/1118395396.db2.gz HDRDIARWLPGGPN-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN Nc1ccc(CN2CCC(C(F)(F)F)CC2)c(Cl)c1 ZINC000088417278 1118397475 /nfs/dbraw/zinc/39/74/75/1118397475.db2.gz ZEOZDZHYHOMOGA-UHFFFAOYSA-N 0 1 292.732 3.697 20 0 CHADMN C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000683837382 1118402573 /nfs/dbraw/zinc/40/25/73/1118402573.db2.gz FDWWEHXMQLPPHJ-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN CCCOc1cccc(CN[C@@H](COC)c2ccccc2)c1 ZINC000113355481 1118403325 /nfs/dbraw/zinc/40/33/25/1118403325.db2.gz LSBYOGQZNYWETF-IBGZPJMESA-N 0 1 299.414 3.953 20 0 CHADMN c1nc2cc(-c3noc([C@@H]4CC5CCC4CC5)n3)ccc2[nH]1 ZINC000340616023 1118405988 /nfs/dbraw/zinc/40/59/88/1118405988.db2.gz IEDXHBUEPAHYPS-GCZXYKMCSA-N 0 1 294.358 3.907 20 0 CHADMN Cc1cc(C)nc(Nc2cccc(OC3CC3)c2)c1 ZINC001210859594 1118411010 /nfs/dbraw/zinc/41/10/10/1118411010.db2.gz ZESNDTXOEMDFRF-UHFFFAOYSA-N 0 1 254.333 3.983 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CCCC[C@H]1CC ZINC000048418760 1118416655 /nfs/dbraw/zinc/41/66/55/1118416655.db2.gz UGFNGWPTEADNIB-MRXNPFEDSA-N 0 1 288.435 3.760 20 0 CHADMN Oc1c(Cl)cc(Nc2cnc(Cl)cn2)cc1Cl ZINC001210924848 1118424210 /nfs/dbraw/zinc/42/42/10/1118424210.db2.gz UERRJXHQZBAHRG-UHFFFAOYSA-N 0 1 290.537 3.886 20 0 CHADMN CCCc1ccc(C[N@@H+](C)[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000580336464 1118425950 /nfs/dbraw/zinc/42/59/50/1118425950.db2.gz OFNIFYKKBIPWLW-MRXNPFEDSA-N 0 1 277.408 3.570 20 0 CHADMN Cc1ncc([C@H](C)NCc2cccc(OC(F)F)c2)s1 ZINC000089520443 1118430169 /nfs/dbraw/zinc/43/01/69/1118430169.db2.gz XFPIQOVCSRCEFD-VIFPVBQESA-N 0 1 298.358 3.904 20 0 CHADMN COc1ncc(N=C(C)c2ccccc2)cc1Cl ZINC001210982617 1118433500 /nfs/dbraw/zinc/43/35/00/1118433500.db2.gz DTKDVCGFAOUAID-UHFFFAOYSA-N 0 1 260.724 3.826 20 0 CHADMN CC(=Nc1ncc(Br)cc1O)c1ccccc1 ZINC001210981734 1118434373 /nfs/dbraw/zinc/43/43/73/1118434373.db2.gz PVACFXWTKFXZBN-UHFFFAOYSA-N 0 1 291.148 3.633 20 0 CHADMN C[C@@H]1CC[N@@H+](CCC2CCCCCC2)[C@H](C(=O)[O-])C1 ZINC000656190906 1118435226 /nfs/dbraw/zinc/43/52/26/1118435226.db2.gz IMIIMXHGGAJRQK-HIFRSBDPSA-N 0 1 267.413 3.532 20 0 CHADMN COC(=O)c1oc2cccc(F)c2c1Nc1nccs1 ZINC001210991399 1118436530 /nfs/dbraw/zinc/43/65/30/1118436530.db2.gz JKYGTNPPJOZBAJ-UHFFFAOYSA-N 0 1 292.291 3.559 20 0 CHADMN CCCCC[C@H](NC)c1nc(-c2cc(F)cc(F)c2)no1 ZINC001212279313 1128777894 /nfs/dbraw/zinc/77/78/94/1128777894.db2.gz OPSPTWZJKWOFLY-ZDUSSCGKSA-N 0 1 295.333 3.856 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000086757488 1118444776 /nfs/dbraw/zinc/44/47/76/1118444776.db2.gz LFXZWLKUJIWICJ-WDEREUQCSA-N 0 1 299.773 3.727 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2cc3ccccc3[nH]2)n[nH]1 ZINC000683931231 1118450525 /nfs/dbraw/zinc/45/05/25/1118450525.db2.gz WWXPNANMOYVYEQ-RYUDHWBXSA-N 0 1 297.406 3.650 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N(Cc1cncnc1)C1CC1 ZINC000129873179 1118464739 /nfs/dbraw/zinc/46/47/39/1118464739.db2.gz UMGTYVTVFZRYNZ-GFCCVEGCSA-N 0 1 287.794 3.856 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1cc2ccccc2s1 ZINC001137686268 1118469543 /nfs/dbraw/zinc/46/95/43/1118469543.db2.gz FZFBVKVGRNBHRN-HNNXBMFYSA-N 0 1 273.401 3.845 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccsc1Cl ZINC000263137039 1118473738 /nfs/dbraw/zinc/47/37/38/1118473738.db2.gz MDYBBPHFYXXPLR-JLLWLGSASA-N 0 1 299.823 3.619 20 0 CHADMN Cc1nn(-c2ccccc2F)cc1CN1CC2(C1)CCCC2 ZINC000656259955 1118484330 /nfs/dbraw/zinc/48/43/30/1118484330.db2.gz GTIWDBHMXRGXSW-UHFFFAOYSA-N 0 1 299.393 3.696 20 0 CHADMN O=c1cc(CN2CCC[C@@H]2c2ccc(Cl)s2)cc[nH]1 ZINC001207123886 1118484727 /nfs/dbraw/zinc/48/47/27/1118484727.db2.gz DKXZOFULBBTIKN-LLVKDONJSA-N 0 1 294.807 3.839 20 0 CHADMN Cn1cncc1Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC001211245883 1118486594 /nfs/dbraw/zinc/48/65/94/1118486594.db2.gz WAAKPXQBTISIMU-UHFFFAOYSA-N 0 1 292.264 3.731 20 0 CHADMN CCc1oc2ccccc2c1CN1CC2(CC2(F)F)C1 ZINC000656266137 1118487022 /nfs/dbraw/zinc/48/70/22/1118487022.db2.gz QNBFSARZHYAJGZ-UHFFFAOYSA-N 0 1 277.314 3.836 20 0 CHADMN Cn1cncc1Nc1cc(Cl)cc(OC(F)(F)F)c1 ZINC001211249968 1118487556 /nfs/dbraw/zinc/48/75/56/1118487556.db2.gz BUBMYASEGKIYAW-UHFFFAOYSA-N 0 1 291.660 3.716 20 0 CHADMN Cc1cc(Cl)c(Nc2cncn2C)c(Cl)c1 ZINC001211251523 1118488429 /nfs/dbraw/zinc/48/84/29/1118488429.db2.gz IRQHMAKGVPFCML-UHFFFAOYSA-N 0 1 256.136 3.779 20 0 CHADMN CCOC1CC(CN(Cc2c(F)cccc2F)C2CC2)C1 ZINC000285432659 1118489210 /nfs/dbraw/zinc/48/92/10/1118489210.db2.gz WQLAPHHAJDMNKR-UHFFFAOYSA-N 0 1 295.373 3.744 20 0 CHADMN CCN(Cc1ccoc1)Cc1cc2ccccc2[nH]1 ZINC000684022927 1118490788 /nfs/dbraw/zinc/49/07/88/1118490788.db2.gz QAKGWDMISVHKOG-UHFFFAOYSA-N 0 1 254.333 3.783 20 0 CHADMN COc1cnccc1Nc1cccc(-c2csc(C)n2)c1 ZINC001211262640 1118491891 /nfs/dbraw/zinc/49/18/91/1118491891.db2.gz JWTDHIXYLLOOLY-UHFFFAOYSA-N 0 1 297.383 3.688 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)c1 ZINC000926117076 1118493089 /nfs/dbraw/zinc/49/30/89/1118493089.db2.gz NXVCNNZTMVUJOM-NJSLBKSFSA-N 0 1 296.414 3.983 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccc(Cl)nc1Cl ZINC001211272256 1118494764 /nfs/dbraw/zinc/49/47/64/1118494764.db2.gz YBAMNVQAOHTQIR-UHFFFAOYSA-N 0 1 293.157 3.618 20 0 CHADMN Cc1ccccc1[C@H](C)[N@H+](Cc1ccnn1C)CC(C)C ZINC000580730161 1118496629 /nfs/dbraw/zinc/49/66/29/1118496629.db2.gz UQXIMZIPCRUAKE-INIZCTEOSA-N 0 1 285.435 3.948 20 0 CHADMN Oc1cc(F)c(-c2ccc3[nH]ccc3c2F)cc1F ZINC001211339354 1118505472 /nfs/dbraw/zinc/50/54/72/1118505472.db2.gz MZEQNYGGBKGLNC-UHFFFAOYSA-N 0 1 263.218 3.958 20 0 CHADMN CCN(CC(=O)Nc1ccccc1C)Cc1ccccc1C ZINC000048059011 1118506969 /nfs/dbraw/zinc/50/69/69/1118506969.db2.gz VVGJHSBNRGJVMF-UHFFFAOYSA-N 0 1 296.414 3.764 20 0 CHADMN CC(C)([NH3+])c1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001211359413 1118508199 /nfs/dbraw/zinc/50/81/99/1118508199.db2.gz GPXHDKXIULQVNJ-UHFFFAOYSA-N 0 1 263.287 3.531 20 0 CHADMN CCN(Cc1cc(C)c(F)c(C)c1)Cc1ccccn1 ZINC001143382076 1118517504 /nfs/dbraw/zinc/51/75/04/1118517504.db2.gz TYFOLHVKYVZFRM-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN C[C@@H](CC(C)(C)C)N[C@@H](c1nccn1C)c1ccccc1 ZINC000580992393 1118532315 /nfs/dbraw/zinc/53/23/15/1118532315.db2.gz WITJCJKNAVRFDW-GOEBONIOSA-N 0 1 285.435 3.924 20 0 CHADMN Cc1ncc(CN[C@@H]2CCCc3ccc(Cl)cc32)o1 ZINC000580999377 1118532361 /nfs/dbraw/zinc/53/23/61/1118532361.db2.gz YIUDYUOOVDKJGE-OAHLLOKOSA-N 0 1 276.767 3.804 20 0 CHADMN CO[C@@H](C)C[N@@H+](Cc1nc(C)c(C(C)(C)C)s1)C(C)C ZINC001167443415 1118535673 /nfs/dbraw/zinc/53/56/73/1118535673.db2.gz UJZDSANKBZKTJK-LBPRGKRZSA-N 0 1 298.496 3.994 20 0 CHADMN CO[C@@H](C)CN(Cc1nc(C)c(C(C)(C)C)s1)C(C)C ZINC001167443415 1118535676 /nfs/dbraw/zinc/53/56/76/1118535676.db2.gz UJZDSANKBZKTJK-LBPRGKRZSA-N 0 1 298.496 3.994 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccoc1)c1ccc([N+](=O)[O-])cc1 ZINC000160744764 1118537021 /nfs/dbraw/zinc/53/70/21/1118537021.db2.gz KDJXMRGZAFSBQR-MNOVXSKESA-N 0 1 260.293 3.600 20 0 CHADMN CC(C)(NCCC1CCC1)c1cc(C(F)(F)F)on1 ZINC000656399636 1118541610 /nfs/dbraw/zinc/54/16/10/1118541610.db2.gz HBRYLJGHQVVFAR-UHFFFAOYSA-N 0 1 276.302 3.708 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@H]2Cc1nc([C@H]2CCCN2)no1 ZINC000647146094 1118547662 /nfs/dbraw/zinc/54/76/62/1118547662.db2.gz MRJXUEHCERAGFD-VNHYZAJKSA-N 0 1 297.402 3.636 20 0 CHADMN C/C(=C\c1nc([C@H]2CCCN2)no1)c1cccc(Cl)c1 ZINC000647151406 1118558409 /nfs/dbraw/zinc/55/84/09/1118558409.db2.gz FFIHXPOQBSFGIU-AORWBKJGSA-N 0 1 289.766 3.708 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cc(F)ccc3C)cc2[nH]1 ZINC000340972126 1118563759 /nfs/dbraw/zinc/56/37/59/1118563759.db2.gz CXUJZOAKHZXLBW-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN CC(C)(C)c1ccc(/C=C\c2nc([C@H]3CCCN3)no2)cc1 ZINC000647153994 1118564183 /nfs/dbraw/zinc/56/41/83/1118564183.db2.gz QLQYOZMBVZGLAP-MEODZPNASA-N 0 1 297.402 3.962 20 0 CHADMN CCc1nocc1-c1nc2ccc(C(C)C)cc2[nH]1 ZINC000656488869 1118564876 /nfs/dbraw/zinc/56/48/76/1118564876.db2.gz ZXLGDEPKMCLQBX-UHFFFAOYSA-N 0 1 255.321 3.904 20 0 CHADMN CCC[C@H](NCc1cnnn1CC)c1ccc(Cl)cc1 ZINC000656493215 1118565542 /nfs/dbraw/zinc/56/55/42/1118565542.db2.gz UDJIYOHXZMLOLL-HNNXBMFYSA-N 0 1 292.814 3.582 20 0 CHADMN COc1ccc2c(c1OC)CC[N@H+](Cc1cccc(C)c1)C2 ZINC000340978839 1118567165 /nfs/dbraw/zinc/56/71/65/1118567165.db2.gz FDLYGLGYCAENPE-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN COc1ccc2c(c1OC)CCN(Cc1cccc(C)c1)C2 ZINC000340978839 1118567169 /nfs/dbraw/zinc/56/71/69/1118567169.db2.gz FDLYGLGYCAENPE-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN Cc1nc(CNCc2cccc3cccnc32)sc1C ZINC000091437491 1118579774 /nfs/dbraw/zinc/57/97/74/1118579774.db2.gz CENQIWQDCCCCPP-UHFFFAOYSA-N 0 1 283.400 3.598 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CN(C)Cc1ccccc1 ZINC000891391799 1118590206 /nfs/dbraw/zinc/59/02/06/1118590206.db2.gz XNYFVUZSPMQBBF-UHFFFAOYSA-N 0 1 271.408 3.713 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1ncc(C(C)(C)C)o1 ZINC000063618893 1118596874 /nfs/dbraw/zinc/59/68/74/1118596874.db2.gz CNRHWCNRORXOIZ-GFCCVEGCSA-N 0 1 250.386 3.593 20 0 CHADMN COc1cc(F)c(F)cc1C[N@H+]1CCCCC[C@H]1C ZINC001143394224 1118603521 /nfs/dbraw/zinc/60/35/21/1118603521.db2.gz VVCSDPKVKYBGNG-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN COc1cc(F)c(F)cc1CN1CCCCC[C@H]1C ZINC001143394224 1118603523 /nfs/dbraw/zinc/60/35/23/1118603523.db2.gz VVCSDPKVKYBGNG-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN Cc1ccc(CN(C)CCOc2cc(C)cc(C)c2)o1 ZINC000061760826 1118604332 /nfs/dbraw/zinc/60/43/32/1118604332.db2.gz QFTZQJKZEFAOLK-UHFFFAOYSA-N 0 1 273.376 3.716 20 0 CHADMN CC(C)Cn1cc(CN2CCc3ccccc3[C@H]2C)cn1 ZINC000341127070 1118604467 /nfs/dbraw/zinc/60/44/67/1118604467.db2.gz DJQHEHOMNWDDGR-OAHLLOKOSA-N 0 1 283.419 3.658 20 0 CHADMN COc1cc(F)c(F)cc1CN1CCC[C@@H](C)[C@H]1C ZINC001143394641 1118606553 /nfs/dbraw/zinc/60/65/53/1118606553.db2.gz KLIOMMFAHFDEJL-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN Cc1csc(CN[C@@H](C)c2cccnc2Cl)c1 ZINC000834883690 1118608252 /nfs/dbraw/zinc/60/82/52/1118608252.db2.gz TXWRGBRYAGSCDL-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc3c(c2)ncn3C)c(C)o1 ZINC000341185297 1118612238 /nfs/dbraw/zinc/61/22/38/1118612238.db2.gz KJGRSESVIOTBQG-GFCCVEGCSA-N 0 1 283.375 3.634 20 0 CHADMN CC(C)n1cncc1CN(C)C(C)(C)c1ccccc1 ZINC000644903263 1118628107 /nfs/dbraw/zinc/62/81/07/1118628107.db2.gz NJBSTEGYNSTKJR-UHFFFAOYSA-N 0 1 271.408 3.831 20 0 CHADMN COc1cccc(OC)c1CN[C@H](C)c1cccc(C)c1 ZINC000656678660 1118633382 /nfs/dbraw/zinc/63/33/82/1118633382.db2.gz BDCMFYBAHKKJDL-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN COc1cccc(OC)c1CN[C@H](C)c1ccccc1C ZINC000656679453 1118633703 /nfs/dbraw/zinc/63/37/03/1118633703.db2.gz ISSACRWUVRKMHT-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN CC(C)C1CCN(Cc2cccc(Cl)n2)CC1 ZINC000075833487 1118640616 /nfs/dbraw/zinc/64/06/16/1118640616.db2.gz YFWLNOXGPIWKHV-UHFFFAOYSA-N 0 1 252.789 3.603 20 0 CHADMN Cc1ccc(-c2cnc(CN3CCC[C@@H]3C)o2)cc1 ZINC000076114434 1118643796 /nfs/dbraw/zinc/64/37/96/1118643796.db2.gz MIPOQHUAWIVFDK-ZDUSSCGKSA-N 0 1 256.349 3.634 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccccc2OC(F)F)s1 ZINC000090401076 1118647551 /nfs/dbraw/zinc/64/75/51/1118647551.db2.gz VEIAVZLLWSXEKX-VIFPVBQESA-N 0 1 298.358 3.904 20 0 CHADMN Clc1ccc(C[N@H+]2CCC23CCCCC3)cn1 ZINC000707141816 1118647606 /nfs/dbraw/zinc/64/76/06/1118647606.db2.gz XWDAFSBKMODIPG-UHFFFAOYSA-N 0 1 250.773 3.644 20 0 CHADMN Clc1ccc(CN2CCC23CCCCC3)cn1 ZINC000707141816 1118647608 /nfs/dbraw/zinc/64/76/08/1118647608.db2.gz XWDAFSBKMODIPG-UHFFFAOYSA-N 0 1 250.773 3.644 20 0 CHADMN Cc1cnc([C@H](C)CN[C@H]2CCCc3oc(C)nc32)s1 ZINC000926160016 1118649696 /nfs/dbraw/zinc/64/96/96/1118649696.db2.gz WKWYEXQKHBHLSI-SKDRFNHKSA-N 0 1 291.420 3.519 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656761949 1118650915 /nfs/dbraw/zinc/65/09/15/1118650915.db2.gz WWRPLRLNFKRKDK-HNNXBMFYSA-N 0 1 287.403 3.787 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@@H](CCF)C2)c1Cl ZINC000656762741 1118651407 /nfs/dbraw/zinc/65/14/07/1118651407.db2.gz FXJGGOCTPSYIFA-NSHDSACASA-N 0 1 299.773 3.610 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCCC2CCCC2)[C@H]2CCCC[C@@H]12 ZINC000656763985 1118651956 /nfs/dbraw/zinc/65/19/56/1118651956.db2.gz DQHUJDAVUVCFNV-BBWFWOEESA-N 0 1 293.451 3.922 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCCC2CCC2)[C@H]2CCCC[C@H]12 ZINC000656763999 1118652015 /nfs/dbraw/zinc/65/20/15/1118652015.db2.gz DTWZMKRLKYLFFE-OAGGEKHMSA-N 0 1 279.424 3.532 20 0 CHADMN CC(C)(C)CCC[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000656765334 1118652452 /nfs/dbraw/zinc/65/24/52/1118652452.db2.gz KGGCDRBYZPYTAQ-KKUMJFAQSA-N 0 1 281.440 3.778 20 0 CHADMN Cc1ncc(CN[C@H]2CCc3cc(Cl)ccc32)s1 ZINC000110058469 1118652648 /nfs/dbraw/zinc/65/26/48/1118652648.db2.gz UNTMTWGXPXLTJS-AWEZNQCLSA-N 0 1 278.808 3.882 20 0 CHADMN COc1ccc(OC)c(CNc2nccc(C)c2C2CC2)c1 ZINC000656779431 1118655686 /nfs/dbraw/zinc/65/56/86/1118655686.db2.gz OMFBMIOEMWWUJD-UHFFFAOYSA-N 0 1 298.386 3.897 20 0 CHADMN CCc1ccc(C)nc1NCc1cnc2cccc(C)n12 ZINC000656778197 1118655931 /nfs/dbraw/zinc/65/59/31/1118655931.db2.gz RQQMFLONRDMMKA-UHFFFAOYSA-N 0 1 280.375 3.521 20 0 CHADMN COc1ccc(CN2CCCC(F)(F)CC2)cc1Cl ZINC000625770412 1118662762 /nfs/dbraw/zinc/66/27/62/1118662762.db2.gz VUTIPTORWSUDBT-UHFFFAOYSA-N 0 1 289.753 3.970 20 0 CHADMN CC(C)[C@H](NCc1ccc(F)cc1)c1ccccn1 ZINC000076903197 1128792408 /nfs/dbraw/zinc/79/24/08/1128792408.db2.gz LKOUPTBMDSCVQN-INIZCTEOSA-N 0 1 258.340 3.708 20 0 CHADMN COc1cccc(CN[C@@H](c2ccccn2)C(C)C)c1 ZINC000076902721 1128792430 /nfs/dbraw/zinc/79/24/30/1128792430.db2.gz ISBFCKBRAJOWRC-QGZVFWFLSA-N 0 1 270.376 3.577 20 0 CHADMN CC(C)n1nccc1CNC1(c2ccc(F)cc2)CCC1 ZINC000684374119 1118664886 /nfs/dbraw/zinc/66/48/86/1118664886.db2.gz CHIZKHYISXPOTE-UHFFFAOYSA-N 0 1 287.382 3.772 20 0 CHADMN CCOc1ccc(CNCc2cnc(C)s2)cc1Cl ZINC000341377788 1118680324 /nfs/dbraw/zinc/68/03/24/1118680324.db2.gz JXUNHSWXSVHSEH-UHFFFAOYSA-N 0 1 296.823 3.793 20 0 CHADMN COc1ccc([C@H](C)[C@@H](C)NC(C)(C)C(F)F)cc1 ZINC000684413942 1118688048 /nfs/dbraw/zinc/68/80/48/1118688048.db2.gz MTKKDZPPGJSGSF-GHMZBOCLSA-N 0 1 271.351 3.821 20 0 CHADMN Cc1c2nc[nH]c2ccc1N[C@@H](C)c1ccc(F)cn1 ZINC001167483064 1118695927 /nfs/dbraw/zinc/69/59/27/1118695927.db2.gz JGADVGACYQWCSB-JTQLQIEISA-N 0 1 270.311 3.579 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@@H+](CCCC2CCCCC2)C1 ZINC000395219344 1118698321 /nfs/dbraw/zinc/69/83/21/1118698321.db2.gz SDCSTJGFJGVAJT-OAHLLOKOSA-N 0 1 267.413 3.534 20 0 CHADMN CCn1cc(CN2CC=C(c3ccc(F)cc3)CC2)c(C)n1 ZINC000891531931 1118703876 /nfs/dbraw/zinc/70/38/76/1118703876.db2.gz AYTZTBYMGUGRJQ-UHFFFAOYSA-N 0 1 299.393 3.640 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1cn2ccnc2s1 ZINC000891537487 1118704345 /nfs/dbraw/zinc/70/43/45/1118704345.db2.gz SSACXQCZEBBFSP-NSHDSACASA-N 0 1 289.379 3.728 20 0 CHADMN Cc1ccc(-c2cc(-c3nc(C(C)C)no3)[nH]n2)cc1 ZINC000130528504 1118711438 /nfs/dbraw/zinc/71/14/38/1118711438.db2.gz IJHMZHNGXCXCND-UHFFFAOYSA-N 0 1 268.320 3.559 20 0 CHADMN Cc1ccc(CNc2ccc(Cl)c(CN(C)C)c2)o1 ZINC000341517502 1118718016 /nfs/dbraw/zinc/71/80/16/1118718016.db2.gz ZCHOSRGISZFSJD-UHFFFAOYSA-N 0 1 278.783 3.915 20 0 CHADMN C[C@@H](c1ccccc1)N(Cc1c2c(nn1C)CCC2)C1CC1 ZINC000891595029 1118719053 /nfs/dbraw/zinc/71/90/53/1118719053.db2.gz PMVCQZTUMWZHQX-AWEZNQCLSA-N 0 1 295.430 3.634 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1Cc1nccn1C1CC1 ZINC000891618091 1118721941 /nfs/dbraw/zinc/72/19/41/1118721941.db2.gz NGKJMLLZNXFDIR-KRWDZBQOSA-N 0 1 281.403 3.864 20 0 CHADMN Cn1ncc(CN2CCC[C@@H]2c2ccsc2)c1C1CC1 ZINC000891618618 1118722396 /nfs/dbraw/zinc/72/23/96/1118722396.db2.gz RKACHGIXBSWLKZ-OAHLLOKOSA-N 0 1 287.432 3.696 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1cnc(F)cc1C ZINC000891627463 1118725941 /nfs/dbraw/zinc/72/59/41/1118725941.db2.gz XSSBIUMJCIMGHJ-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1cnn(C)c1C1CC1 ZINC000891640748 1118728759 /nfs/dbraw/zinc/72/87/59/1118728759.db2.gz RKFYBNUNUWVHBF-NSHDSACASA-N 0 1 275.421 3.552 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)CCC(F)F)c2C1 ZINC000684465127 1118737439 /nfs/dbraw/zinc/73/74/39/1118737439.db2.gz KRJNAXBPSSKRLJ-UHFFFAOYSA-N 0 1 296.361 3.642 20 0 CHADMN C[C@H](NCC1=CCCOC1)c1cccc(Cl)c1Cl ZINC000127397473 1118739473 /nfs/dbraw/zinc/73/94/73/1118739473.db2.gz MKVUNGNJFFVKJA-JTQLQIEISA-N 0 1 286.202 3.991 20 0 CHADMN CCN(Cc1cnc(F)cc1C)[C@H](C)c1cccc(O)c1 ZINC000891714300 1118750007 /nfs/dbraw/zinc/75/00/07/1118750007.db2.gz VMLNTERTCCYXBR-CYBMUJFWSA-N 0 1 288.366 3.818 20 0 CHADMN Cc1ccnc(NC2CC(CF)(CF)C2)c1C1CC1 ZINC000668513459 1118752046 /nfs/dbraw/zinc/75/20/46/1118752046.db2.gz ZYFLKZPLOYYZKX-UHFFFAOYSA-N 0 1 266.335 3.767 20 0 CHADMN CCOc1ccc(CN2CCC(OCCC(C)C)CC2)o1 ZINC000891724635 1118752307 /nfs/dbraw/zinc/75/23/07/1118752307.db2.gz HDIVHHYHMWPQEA-UHFFFAOYSA-N 0 1 295.423 3.705 20 0 CHADMN CSCc1ccc(CN(C)Cc2cnc(C)s2)cc1 ZINC000891736813 1118754009 /nfs/dbraw/zinc/75/40/09/1118754009.db2.gz ZWQVJQOJAWTRJS-UHFFFAOYSA-N 0 1 292.473 3.947 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@H](c3ccccc3)[C@H]2C)s1 ZINC000283052049 1118754752 /nfs/dbraw/zinc/75/47/52/1118754752.db2.gz IYQDRNHUOZOPJI-XUJVJEKNSA-N 0 1 287.432 3.786 20 0 CHADMN CC1(C)CCCN(Cc2cn3cc(Cl)ccc3n2)C1 ZINC000510548821 1118768251 /nfs/dbraw/zinc/76/82/51/1118768251.db2.gz BQNFQIOWCWOBLI-UHFFFAOYSA-N 0 1 277.799 3.610 20 0 CHADMN Cc1cc(F)ncc1CN1CCC[C@H]1c1ccc(O)cc1 ZINC000891797154 1118779118 /nfs/dbraw/zinc/77/91/18/1118779118.db2.gz TYGJFIVVOCQADH-INIZCTEOSA-N 0 1 286.350 3.572 20 0 CHADMN CC1=C[C@H](C)C[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000430875731 1118779598 /nfs/dbraw/zinc/77/95/98/1118779598.db2.gz OXSCTWFLHKYLSC-NSHDSACASA-N 0 1 287.432 3.671 20 0 CHADMN CC1=C[C@H](C)CN(Cc2c(C3CC3)nc3sccn23)C1 ZINC000430875731 1118779602 /nfs/dbraw/zinc/77/96/02/1118779602.db2.gz OXSCTWFLHKYLSC-NSHDSACASA-N 0 1 287.432 3.671 20 0 CHADMN COc1cc(C[N@@H+]2CC(C)=C[C@@H](C)C2)cc(Cl)c1OC ZINC000430876943 1118780161 /nfs/dbraw/zinc/78/01/61/1118780161.db2.gz UBQMJQQHOGXLQH-LLVKDONJSA-N 0 1 295.810 3.755 20 0 CHADMN COc1cc(CN2CC(C)=C[C@@H](C)C2)cc(Cl)c1OC ZINC000430876943 1118780164 /nfs/dbraw/zinc/78/01/64/1118780164.db2.gz UBQMJQQHOGXLQH-LLVKDONJSA-N 0 1 295.810 3.755 20 0 CHADMN CCCn1c2ccccc2nc1CN1CC(C)=C[C@@H](C)C1 ZINC000430871332 1118780850 /nfs/dbraw/zinc/78/08/50/1118780850.db2.gz CSRKGNIJKQZBHY-CQSZACIVSA-N 0 1 283.419 3.844 20 0 CHADMN CC1=C[C@H](C)CN(Cc2nc3ccc(F)cc3s2)C1 ZINC000430880475 1118781977 /nfs/dbraw/zinc/78/19/77/1118781977.db2.gz YAEZZTABSHQYBX-JTQLQIEISA-N 0 1 276.380 3.833 20 0 CHADMN COc1ccc(CN(C)CC(C)(C)C)c(Cl)c1OC ZINC000510647749 1118782378 /nfs/dbraw/zinc/78/23/78/1118782378.db2.gz JZXHDWARCLPZOT-UHFFFAOYSA-N 0 1 285.815 3.835 20 0 CHADMN CCOc1c(CN(C)CC(C)(C)C)c(C)nn1CC(C)C ZINC000510674257 1118785483 /nfs/dbraw/zinc/78/54/83/1118785483.db2.gz IAODWERBZOMDSP-UHFFFAOYSA-N 0 1 295.471 3.724 20 0 CHADMN CCc1nc([C@H](C)NC[C@]2(C)CC2(Cl)Cl)cs1 ZINC000828823129 1118787059 /nfs/dbraw/zinc/78/70/59/1118787059.db2.gz WONWTHAQUBTWBR-KWQFWETISA-N 0 1 293.263 3.940 20 0 CHADMN COc1cc([C@H](C)NCCF)ccc1OC1CCCC1 ZINC000341658285 1118787100 /nfs/dbraw/zinc/78/71/00/1118787100.db2.gz MGAJHAWNZUWGSN-LBPRGKRZSA-N 0 1 281.371 3.637 20 0 CHADMN Cc1nocc1CN1CCCC[C@H]1c1ccccc1 ZINC000293715861 1118787550 /nfs/dbraw/zinc/78/75/50/1118787550.db2.gz VBWIWLSSDWXSPO-INIZCTEOSA-N 0 1 256.349 3.710 20 0 CHADMN Cc1cnc(CN[C@@H]2c3ccccc3CC[C@@H]2C)s1 ZINC000341695203 1118799453 /nfs/dbraw/zinc/79/94/53/1118799453.db2.gz JWYINZZEXBMWMX-ZBEGNZNMSA-N 0 1 272.417 3.865 20 0 CHADMN CCC[C@@H](CC)SCc1n[nH]c(C(C)(C)C)n1 ZINC000430980119 1118803446 /nfs/dbraw/zinc/80/34/46/1118803446.db2.gz YPNQCANMBYGCLG-SNVBAGLBSA-N 0 1 255.431 3.914 20 0 CHADMN Cc1cccc(SCc2n[nH]c(C(C)(C)C)n2)c1 ZINC000430986784 1118806149 /nfs/dbraw/zinc/80/61/49/1118806149.db2.gz HYUWUJSVZQQIKS-UHFFFAOYSA-N 0 1 261.394 3.703 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2OC)o1 ZINC000891915620 1118846116 /nfs/dbraw/zinc/84/61/16/1118846116.db2.gz IVUTULJPMLFOPT-OAHLLOKOSA-N 0 1 287.359 3.634 20 0 CHADMN COc1ccc(CN2CCC[C@@H]2c2ccccc2OC)o1 ZINC000891915620 1118846120 /nfs/dbraw/zinc/84/61/20/1118846120.db2.gz IVUTULJPMLFOPT-OAHLLOKOSA-N 0 1 287.359 3.634 20 0 CHADMN Cc1ccc(CN(C)Cc2cnn(C3CCC3)c2)s1 ZINC000891924157 1118849262 /nfs/dbraw/zinc/84/92/62/1118849262.db2.gz UMFGNQLTTDIXAX-UHFFFAOYSA-N 0 1 275.421 3.610 20 0 CHADMN [O-]c1cccc2c(N3CCC(C(F)(F)F)CC3)cc[nH+]c12 ZINC000684575580 1118860427 /nfs/dbraw/zinc/86/04/27/1118860427.db2.gz WVIWXJMVWJRBPS-UHFFFAOYSA-N 0 1 296.292 3.719 20 0 CHADMN Cc1noc(C)c1[C@@H](C)CNc1cc[nH+]c2c([O-])cccc12 ZINC000684577798 1118864595 /nfs/dbraw/zinc/86/45/95/1118864595.db2.gz GKFFBFHYOZONCQ-JTQLQIEISA-N 0 1 297.358 3.761 20 0 CHADMN [O-]c1cccc2c(N3CCc4ccc(F)cc4C3)cc[nH+]c12 ZINC000684577801 1118865005 /nfs/dbraw/zinc/86/50/05/1118865005.db2.gz GKVXRZRJZRJEMO-UHFFFAOYSA-N 0 1 294.329 3.642 20 0 CHADMN CC[C@H](NCc1ccc(C)cn1)c1ccc(OC)cc1 ZINC000133593391 1118865794 /nfs/dbraw/zinc/86/57/94/1118865794.db2.gz UONKVZWHTQLRKT-KRWDZBQOSA-N 0 1 270.376 3.640 20 0 CHADMN [O-]c1cccc2c(NCc3ccc4c(c3)COC4)cc[nH+]c12 ZINC000684578256 1118866419 /nfs/dbraw/zinc/86/64/19/1118866419.db2.gz OBBWRUWQYAPBEW-UHFFFAOYSA-N 0 1 292.338 3.583 20 0 CHADMN C[C@@H](CN1CCn2cccc2[C@@H]1C)c1ccccc1 ZINC000247555919 1118868085 /nfs/dbraw/zinc/86/80/85/1118868085.db2.gz TZLVYUSSWMYRDM-GJZGRUSLSA-N 0 1 254.377 3.668 20 0 CHADMN Cc1cnc([C@@H](C)CNc2cc[nH+]c3c([O-])cccc23)s1 ZINC000684580617 1118868398 /nfs/dbraw/zinc/86/83/98/1118868398.db2.gz CZKLRPDXGHNOIV-JTQLQIEISA-N 0 1 299.399 3.921 20 0 CHADMN Cc1ncc(CN[C@@H]2CCc3sc(Cl)cc32)s1 ZINC000129603960 1118873824 /nfs/dbraw/zinc/87/38/24/1118873824.db2.gz XJEXCQBTEYEKEM-SNVBAGLBSA-N 0 1 284.837 3.944 20 0 CHADMN CC[C@H](NCc1cscc1C)c1cccc(OC)n1 ZINC000926301320 1118874283 /nfs/dbraw/zinc/87/42/83/1118874283.db2.gz GBNSKGOTXUSANS-ZDUSSCGKSA-N 0 1 276.405 3.701 20 0 CHADMN Cc1cscc1CN[C@@H](C)c1ccnn1CC1CCC1 ZINC000926302968 1118877678 /nfs/dbraw/zinc/87/76/78/1118877678.db2.gz KQBCMFVXAKSIBQ-ZDUSSCGKSA-N 0 1 289.448 3.904 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCN1c1cc[nH+]c2c([O-])cccc12 ZINC000684592081 1118878885 /nfs/dbraw/zinc/87/88/85/1118878885.db2.gz DQIRQZDZJDFKAR-GXSJLCMTSA-N 0 1 296.292 3.718 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCN1c1cc[nH+]c2c([O-])cccc12 ZINC000684592083 1118879060 /nfs/dbraw/zinc/87/90/60/1118879060.db2.gz DQIRQZDZJDFKAR-MWLCHTKSSA-N 0 1 296.292 3.718 20 0 CHADMN CCCN(Cc1ccc(C)cc1)Cc1cnc(C)nc1 ZINC000535781754 1118884207 /nfs/dbraw/zinc/88/42/07/1118884207.db2.gz XXXBMCKHMKKUAN-UHFFFAOYSA-N 0 1 269.392 3.506 20 0 CHADMN CCCCCC[C@](C)(CCC)C(=O)N[C@H](C)c1nnc[nH]1 ZINC000176202259 1118894069 /nfs/dbraw/zinc/89/40/69/1118894069.db2.gz AWHCMQJVFBIYJO-CJNGLKHVSA-N 0 1 294.443 3.759 20 0 CHADMN CO[C@H](CN[C@@H](C)c1nccs1)c1ccccc1Cl ZINC000090453471 1118900635 /nfs/dbraw/zinc/90/06/35/1118900635.db2.gz GDGYKBIJRLVWQV-GXFFZTMASA-N 0 1 296.823 3.835 20 0 CHADMN Clc1cccc(Cl)c1CCCNCc1cocn1 ZINC000684614226 1118903425 /nfs/dbraw/zinc/90/34/25/1118903425.db2.gz SPOBUULCIHJIHZ-UHFFFAOYSA-N 0 1 285.174 3.704 20 0 CHADMN Cc1ncsc1CN(C)Cc1ccnc2ccccc12 ZINC000535834042 1118904844 /nfs/dbraw/zinc/90/48/44/1118904844.db2.gz CKHDDHCFQQLZDW-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN FC(F)Oc1ccc(CN2CCCCC2)cc1Cl ZINC000535842674 1118905876 /nfs/dbraw/zinc/90/58/76/1118905876.db2.gz JLQNBKCUQLMTAV-UHFFFAOYSA-N 0 1 275.726 3.927 20 0 CHADMN C[C@]1(F)CCN(Cc2ccc(-c3ccccc3)o2)C1 ZINC000535842642 1118906314 /nfs/dbraw/zinc/90/63/14/1118906314.db2.gz GLTZQTFMMWZVQG-INIZCTEOSA-N 0 1 259.324 3.881 20 0 CHADMN C[C@@H](c1cc(Cl)ccc1Cl)N(C)Cc1cnc[nH]1 ZINC000684618115 1118907221 /nfs/dbraw/zinc/90/72/21/1118907221.db2.gz ZOSMDVMHUKTSLV-VIFPVBQESA-N 0 1 284.190 3.910 20 0 CHADMN Cc1[nH]c(SC2CCOCC2)nc1Cc1ccccc1 ZINC000181300834 1118910797 /nfs/dbraw/zinc/91/07/97/1118910797.db2.gz WBNSGELXCXZMTL-UHFFFAOYSA-N 0 1 288.416 3.580 20 0 CHADMN CSCc1cccc(NC(=O)c2ccc(F)cc2O)c1 ZINC000611005996 1118921047 /nfs/dbraw/zinc/92/10/47/1118921047.db2.gz UXQFRDOEDVFISS-UHFFFAOYSA-N 0 1 291.347 3.647 20 0 CHADMN CCc1nc([C@@H](C)Sc2ccc3ccccc3n2)n[nH]1 ZINC000657228118 1118925965 /nfs/dbraw/zinc/92/59/65/1118925965.db2.gz ROLUKUCWLGBTGG-SNVBAGLBSA-N 0 1 284.388 3.769 20 0 CHADMN CN(CCC(F)(F)F)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC001349647931 1118928820 /nfs/dbraw/zinc/92/88/20/1118928820.db2.gz GZWXXPLGCOQUGH-ZIAGYGMSSA-N 0 1 287.325 3.791 20 0 CHADMN CC1(C)C[C@@H](Sc2n[nH]c(CCC3CCCC3)n2)CO1 ZINC000657243326 1118931933 /nfs/dbraw/zinc/93/19/33/1118931933.db2.gz SNASMHBVLLDTBT-GFCCVEGCSA-N 0 1 295.452 3.587 20 0 CHADMN CC1(C)C[C@@H](Sc2nc(CCC3CCCC3)n[nH]2)CO1 ZINC000657243326 1118931936 /nfs/dbraw/zinc/93/19/36/1118931936.db2.gz SNASMHBVLLDTBT-GFCCVEGCSA-N 0 1 295.452 3.587 20 0 CHADMN C[C@@H]1C[C@H](Sc2nnc(CCC3CCCC3)[nH]2)CCO1 ZINC000657242405 1118932252 /nfs/dbraw/zinc/93/22/52/1118932252.db2.gz FNTOMIHNTCQOIL-DGCLKSJQSA-N 0 1 295.452 3.587 20 0 CHADMN C[C@@H]1C[C@H](Sc2nc(CCC3CCCC3)n[nH]2)CCO1 ZINC000657242405 1118932254 /nfs/dbraw/zinc/93/22/54/1118932254.db2.gz FNTOMIHNTCQOIL-DGCLKSJQSA-N 0 1 295.452 3.587 20 0 CHADMN CC[C@H](CSc1nc(-c2ccccn2)n[nH]1)CC(F)F ZINC000657249975 1118934104 /nfs/dbraw/zinc/93/41/04/1118934104.db2.gz TUOLVCRJCUDNPA-VIFPVBQESA-N 0 1 298.362 3.640 20 0 CHADMN CCc1c2ccccc2oc1[C@H](C)NCc1cnn(C)c1 ZINC000041158735 1118936653 /nfs/dbraw/zinc/93/66/53/1118936653.db2.gz NVWVACLZXDBKGF-LBPRGKRZSA-N 0 1 283.375 3.580 20 0 CHADMN C[C@H](CN(C)Cc1cccnc1Cl)C(C)(C)C ZINC000399638243 1118994545 /nfs/dbraw/zinc/99/45/45/1118994545.db2.gz XYYWEYWUNPFRPS-LLVKDONJSA-N 0 1 254.805 3.849 20 0 CHADMN Cc1cc(CSc2nc(C)c(-c3ccccc3)[nH]2)n(C)n1 ZINC000657258928 1118940504 /nfs/dbraw/zinc/94/05/04/1118940504.db2.gz YKIRRXLCCYRDTF-UHFFFAOYSA-N 0 1 298.415 3.719 20 0 CHADMN CC[C@@H](CC(F)F)Cn1c(C)nc2c1CCCC2 ZINC000657261552 1118941661 /nfs/dbraw/zinc/94/16/61/1118941661.db2.gz CROSWLWEIPTAKX-NSHDSACASA-N 0 1 256.340 3.752 20 0 CHADMN CC[C@H](CC(F)(F)F)NCc1nn(CC)c2ccccc12 ZINC000472038358 1118944321 /nfs/dbraw/zinc/94/43/21/1118944321.db2.gz NSKBJMMGZNJBEN-LLVKDONJSA-N 0 1 299.340 3.877 20 0 CHADMN CN(Cc1cnc(C2CC2)o1)[C@H]1CCc2ccccc21 ZINC000628128341 1128815231 /nfs/dbraw/zinc/81/52/31/1128815231.db2.gz AKBKAPXUPSFWJD-INIZCTEOSA-N 0 1 268.360 3.671 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2N[C@H]1C[C@H](c2ccccc2)C1 ZINC000926342394 1118953549 /nfs/dbraw/zinc/95/35/49/1118953549.db2.gz LCWNCRAARYHACX-BZUAXINKSA-N 0 1 282.387 3.896 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1Cc1nc(C(C)(C)C)co1 ZINC000892069133 1118955011 /nfs/dbraw/zinc/95/50/11/1118955011.db2.gz XYGOTGJGQQZFLG-VXGBXAGGSA-N 0 1 250.386 3.593 20 0 CHADMN CCC(C)(C)c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000545027645 1118964701 /nfs/dbraw/zinc/96/47/01/1118964701.db2.gz ZLCBVCQSVWKGGI-UHFFFAOYSA-N 0 1 291.370 3.625 20 0 CHADMN Cn1ncc(C2CCC2)c1CNCc1ccc(Cl)s1 ZINC000657297537 1118967573 /nfs/dbraw/zinc/96/75/73/1118967573.db2.gz JOHCNDHVBVCFLE-UHFFFAOYSA-N 0 1 295.839 3.692 20 0 CHADMN Cc1cc(CN2CCC[C@H](Nc3ccccc3)C2)cnc1F ZINC000892122020 1118975826 /nfs/dbraw/zinc/97/58/26/1118975826.db2.gz XZVCLIALJITKNB-KRWDZBQOSA-N 0 1 299.393 3.606 20 0 CHADMN CC[C@@](C)(NCc1nc(C(C)(C)C)co1)C1CC1 ZINC000724363447 1118976634 /nfs/dbraw/zinc/97/66/34/1118976634.db2.gz GKZYUCLJJDTSCV-OAHLLOKOSA-N 0 1 250.386 3.640 20 0 CHADMN Cn1cc([C@H](NCc2ccc(F)c(F)c2)C(C)(C)C)cn1 ZINC000342324694 1118977881 /nfs/dbraw/zinc/97/78/81/1118977881.db2.gz IXDFKTHKOLFXRI-HNNXBMFYSA-N 0 1 293.361 3.575 20 0 CHADMN CCn1cc(CN2CC[C@@H](C)C[C@@H]2c2ccco2)c(C)n1 ZINC000892152332 1118988864 /nfs/dbraw/zinc/98/88/64/1118988864.db2.gz GOQQYRDXKNFGPD-CZUORRHYSA-N 0 1 287.407 3.778 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000342377383 1118995484 /nfs/dbraw/zinc/99/54/84/1118995484.db2.gz ZKLABQOYBIMUKP-KBPBESRZSA-N 0 1 287.382 3.774 20 0 CHADMN CCC1CCC(N(Cc2nc(C)c(C)[nH]2)C2CC2)CC1 ZINC000628130775 1128814434 /nfs/dbraw/zinc/81/44/34/1128814434.db2.gz JUPNNWACPLYINW-UHFFFAOYSA-N 0 1 275.440 3.960 20 0 CHADMN CO[C@@H](CNCc1ccc(F)c(F)c1F)c1ccccc1 ZINC000657325803 1119001741 /nfs/dbraw/zinc/00/17/41/1119001741.db2.gz IRNYBTIEDWHNEJ-AWEZNQCLSA-N 0 1 295.304 3.581 20 0 CHADMN CC(C)(C)c1coc(CN[C@@H]2CCCC2(C)C)n1 ZINC000724430738 1119002293 /nfs/dbraw/zinc/00/22/93/1119002293.db2.gz YKCLVVGLGBEGFF-LLVKDONJSA-N 0 1 250.386 3.640 20 0 CHADMN Cc1ccc(CNCc2ccnc(N3CCCCCC3)c2)o1 ZINC000107322476 1119005548 /nfs/dbraw/zinc/00/55/48/1119005548.db2.gz GDURXECLJOKTCM-UHFFFAOYSA-N 0 1 299.418 3.653 20 0 CHADMN Oc1ccc(C2CCN(Cc3cnc(C4CC4)o3)CC2)cc1 ZINC000628128114 1128815493 /nfs/dbraw/zinc/81/54/93/1128815493.db2.gz OZXHSXFGMTVUCM-UHFFFAOYSA-N 0 1 298.386 3.637 20 0 CHADMN CCCN(Cc1cnc(C)o1)[C@@H](C)c1ccccc1OC ZINC000628140007 1128815950 /nfs/dbraw/zinc/81/59/50/1128815950.db2.gz WZDWMQOVWNCEGY-ZDUSSCGKSA-N 0 1 288.391 3.965 20 0 CHADMN CCCN(Cc1nc(C)c(C)[nH]1)[C@@H]1CCc2ccccc21 ZINC000628139791 1128816028 /nfs/dbraw/zinc/81/60/28/1128816028.db2.gz QCHHHBXICFPLJF-QGZVFWFLSA-N 0 1 283.419 3.926 20 0 CHADMN O=C(c1cccc2[nH]ncc21)N1CCCCc2sccc21 ZINC000684787859 1119029116 /nfs/dbraw/zinc/02/91/16/1119029116.db2.gz YFVHQIRPNDSHIW-UHFFFAOYSA-N 0 1 297.383 3.608 20 0 CHADMN Clc1ccc2nc(SCCOC3CCC3)[nH]c2c1 ZINC000582198614 1119032758 /nfs/dbraw/zinc/03/27/58/1119032758.db2.gz JHLQLNCHOXBXPK-UHFFFAOYSA-N 0 1 282.796 3.878 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cc2ccc(C)cc2[nH]1 ZINC000657368561 1119034363 /nfs/dbraw/zinc/03/43/63/1119034363.db2.gz SRPVVCFJZLVPPN-NSHDSACASA-N 0 1 283.375 3.932 20 0 CHADMN Cc1nc(CN[C@@H](CC2CC2)c2ccccc2)[nH]c1C ZINC000657376541 1119040456 /nfs/dbraw/zinc/04/04/56/1119040456.db2.gz LXVIFIUPVVMVFK-INIZCTEOSA-N 0 1 269.392 3.658 20 0 CHADMN CN(Cc1ccc(C2CCC2)cc1)Cc1ccccn1 ZINC000352877015 1119050421 /nfs/dbraw/zinc/05/04/21/1119050421.db2.gz PLKMGESYPJZUCY-UHFFFAOYSA-N 0 1 266.388 3.981 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000582366048 1119059870 /nfs/dbraw/zinc/05/98/70/1119059870.db2.gz XHRCFZGFFNGHCU-JKSUJKDBSA-N 0 1 275.392 3.509 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000582366047 1119060058 /nfs/dbraw/zinc/06/00/58/1119060058.db2.gz XHRCFZGFFNGHCU-HZPDHXFCSA-N 0 1 275.392 3.509 20 0 CHADMN O=C(CC1CCCC1)Nc1ccccc1Nc1ccncc1 ZINC000684849314 1119067990 /nfs/dbraw/zinc/06/79/90/1119067990.db2.gz BSVOTIKIEYOWRC-UHFFFAOYSA-N 0 1 295.386 3.766 20 0 CHADMN Fc1cncc(Br)c1CNCCC1=CCCC1 ZINC000657416214 1119069801 /nfs/dbraw/zinc/06/98/01/1119069801.db2.gz SQUKNQHQNOOFTJ-UHFFFAOYSA-N 0 1 299.187 3.573 20 0 CHADMN O=C(CCC1CCC1)Nc1ccccc1Nc1ccncc1 ZINC000684851202 1119068843 /nfs/dbraw/zinc/06/88/43/1119068843.db2.gz QEFZPNPVDJQHSU-UHFFFAOYSA-N 0 1 295.386 3.766 20 0 CHADMN CC(C)[C@@H](CC(F)(F)F)NC/C(Cl)=C\Cl ZINC000309079575 1119070051 /nfs/dbraw/zinc/07/00/51/1119070051.db2.gz NWVOIJOZDBTYDH-RXLGXGPVSA-N 0 1 264.118 3.872 20 0 CHADMN C[C@H]1CCCc2ccccc2[C@@H]1NCc1cc2n(n1)CCC2 ZINC000657434343 1119086298 /nfs/dbraw/zinc/08/62/98/1119086298.db2.gz GFVYKOXXFSXSET-IFXJQAMLSA-N 0 1 295.430 3.633 20 0 CHADMN COc1c(C)cnc(CN[C@@H](C)c2ccc(C)s2)c1C ZINC000049183671 1119089100 /nfs/dbraw/zinc/08/91/00/1119089100.db2.gz GZUSQXMBLWSJLW-ZDUSSCGKSA-N 0 1 290.432 3.928 20 0 CHADMN Clc1ccc([C@@H]2CN(C3CCCC3)CCO2)cc1 ZINC000120131134 1119092321 /nfs/dbraw/zinc/09/23/21/1119092321.db2.gz JVMRUDIHFIVUFH-HNNXBMFYSA-N 0 1 265.784 3.656 20 0 CHADMN CCC[N@@H+](C)CC(=O)N[C@H](c1ccccc1C)C(C)(C)C ZINC000431421924 1119094433 /nfs/dbraw/zinc/09/44/33/1119094433.db2.gz YYSNSOPEJPNDJA-QGZVFWFLSA-N 0 1 290.451 3.540 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1[C@@H](C)CCC[C@@H]1C ZINC000342652521 1119113451 /nfs/dbraw/zinc/11/34/51/1119113451.db2.gz AYWKYHDLQWRHGX-STQMWFEESA-N 0 1 289.398 3.958 20 0 CHADMN Cc1c[nH]c(CN(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000628185122 1128822502 /nfs/dbraw/zinc/82/25/02/1128822502.db2.gz LXKSOVULAWXUJA-QWHCGFSZSA-N 0 1 291.826 3.996 20 0 CHADMN CCc1cccc2cc(CNC3(CF)CCOCC3)oc21 ZINC000657479287 1119120429 /nfs/dbraw/zinc/12/04/29/1119120429.db2.gz ZIODGABEEDIGID-UHFFFAOYSA-N 0 1 291.366 3.604 20 0 CHADMN C[C@@H]1c2ccsc2CCN1Cc1ccc2c(c1)ncn2C ZINC000342675752 1119121129 /nfs/dbraw/zinc/12/11/29/1119121129.db2.gz MSDAIBBOHLNSOS-GFCCVEGCSA-N 0 1 297.427 3.754 20 0 CHADMN CCC1CCC(N(C)Cc2nc(C3CCC3)no2)CC1 ZINC001167586917 1119121762 /nfs/dbraw/zinc/12/17/62/1119121762.db2.gz SPOTVZSZNIZLCV-UHFFFAOYSA-N 0 1 277.412 3.738 20 0 CHADMN CSc1ccc(CN[C@H]2CCCc3cccnc32)cc1 ZINC000684954266 1119141337 /nfs/dbraw/zinc/14/13/37/1119141337.db2.gz BJQNAFLKGOHGGM-INIZCTEOSA-N 0 1 284.428 3.971 20 0 CHADMN COc1cccc(C2(N[C@@H]3CCCc4cccnc43)CC2)c1 ZINC000684960776 1119144196 /nfs/dbraw/zinc/14/41/96/1119144196.db2.gz LBKZYJHEYNHYRM-QGZVFWFLSA-N 0 1 294.398 3.747 20 0 CHADMN CCC(CC)CN(CC)Cc1nnc(C(C)(C)C)o1 ZINC000051824527 1119149084 /nfs/dbraw/zinc/14/90/84/1119149084.db2.gz VFCOZJZDNNFUCT-UHFFFAOYSA-N 0 1 267.417 3.625 20 0 CHADMN C[C@H](CNCc1csc(C(C)(C)C)n1)c1ccccn1 ZINC000657532561 1119160905 /nfs/dbraw/zinc/16/09/05/1119160905.db2.gz JPOUDANZFKZVOP-GFCCVEGCSA-N 0 1 289.448 3.729 20 0 CHADMN Cc1ccc(C(C)(C)C(=O)NOCc2ccccc2)cc1 ZINC000728513410 1119170805 /nfs/dbraw/zinc/17/08/05/1119170805.db2.gz HQXPJPXSDRCAMY-UHFFFAOYSA-N 0 1 283.371 3.521 20 0 CHADMN Cc1ncc(CN[C@@H](c2ccccc2)C(C)(C)C)o1 ZINC000628202455 1128826710 /nfs/dbraw/zinc/82/67/10/1128826710.db2.gz VLIDANPWBGSAKD-HNNXBMFYSA-N 0 1 258.365 3.860 20 0 CHADMN Cc1ccc(-c2nc(CN3C[C@H](C)[C@H](C)C3)cs2)o1 ZINC000076110773 1119182107 /nfs/dbraw/zinc/18/21/07/1119182107.db2.gz DQKVHSKCWPAUNZ-PHIMTYICSA-N 0 1 276.405 3.799 20 0 CHADMN Cc1cc(F)ccc1C[C@H](C)NCc1ncc(Cl)s1 ZINC000657560145 1119185509 /nfs/dbraw/zinc/18/55/09/1119185509.db2.gz WPQXVNIXLSUOEX-JTQLQIEISA-N 0 1 298.814 3.965 20 0 CHADMN CCC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000076796787 1119187646 /nfs/dbraw/zinc/18/76/46/1119187646.db2.gz PEXSQIMPYGOAHO-UHFFFAOYSA-N 0 1 270.376 3.964 20 0 CHADMN CCCCCNC(=O)[C@@H](C)N1CCC[C@@H]1c1ccsc1 ZINC000076989588 1119189946 /nfs/dbraw/zinc/18/99/46/1119189946.db2.gz ZKVUPYZTTIDUFE-UKRRQHHQSA-N 0 1 294.464 3.580 20 0 CHADMN COc1cccc([C@@H]2CCC[N@H+]2CCC(F)(F)F)c1 ZINC000077248288 1119190847 /nfs/dbraw/zinc/19/08/47/1119190847.db2.gz YHRZDEMLFPSADL-ZDUSSCGKSA-N 0 1 273.298 3.785 20 0 CHADMN COc1ccc([C@H](C)[N@@H+](C)CCC(F)(F)F)cc1 ZINC000077250181 1119191035 /nfs/dbraw/zinc/19/10/35/1119191035.db2.gz LYJJACVERZMPEV-JTQLQIEISA-N 0 1 261.287 3.640 20 0 CHADMN COc1ccc([C@H](C)N(C)CCC(F)(F)F)cc1 ZINC000077250181 1119191036 /nfs/dbraw/zinc/19/10/36/1119191036.db2.gz LYJJACVERZMPEV-JTQLQIEISA-N 0 1 261.287 3.640 20 0 CHADMN Cc1ccccc1NC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000077686592 1119195866 /nfs/dbraw/zinc/19/58/66/1119195866.db2.gz LMLXRCQYGMHLTC-UHFFFAOYSA-N 0 1 283.356 3.699 20 0 CHADMN CC[C@@H](C)CCNCc1ncc(C(F)(F)F)s1 ZINC000657586147 1119198753 /nfs/dbraw/zinc/19/87/53/1119198753.db2.gz IIBYXMLISKZRCM-MRVPVSSYSA-N 0 1 266.332 3.688 20 0 CHADMN Cc1ccc(CN2CCC(CC(F)(F)F)CC2)o1 ZINC000342835460 1119201519 /nfs/dbraw/zinc/20/15/19/1119201519.db2.gz GLZTYEPUMLMDSG-UHFFFAOYSA-N 0 1 261.287 3.752 20 0 CHADMN Cc1c[nH]c(CN2CCCCC[C@@H]2c2ccccc2)n1 ZINC000628149390 1119202650 /nfs/dbraw/zinc/20/26/50/1119202650.db2.gz XLNOMZURDKERMB-MRXNPFEDSA-N 0 1 269.392 3.835 20 0 CHADMN Cc1ncc(CN(C2CC2)[C@H]2CCc3ccccc32)o1 ZINC000628150591 1119203062 /nfs/dbraw/zinc/20/30/62/1119203062.db2.gz ZSUYZIGUBXZZKS-KRWDZBQOSA-N 0 1 268.360 3.635 20 0 CHADMN Cc1cc(C)cc(CCNCc2c(F)ccc(O)c2F)c1 ZINC000511194226 1119203822 /nfs/dbraw/zinc/20/38/22/1119203822.db2.gz QZAPWRXIFHIXPF-UHFFFAOYSA-N 0 1 291.341 3.620 20 0 CHADMN Cc1cc(C)cc(CC[NH2+]Cc2c(F)ccc([O-])c2F)c1 ZINC000511194226 1119203823 /nfs/dbraw/zinc/20/38/23/1119203823.db2.gz QZAPWRXIFHIXPF-UHFFFAOYSA-N 0 1 291.341 3.620 20 0 CHADMN CC(C)[C@@H](NCc1ccccn1)c1ccccc1F ZINC000657614501 1119208925 /nfs/dbraw/zinc/20/89/25/1119208925.db2.gz DAIQVOIVZKMTOJ-MRXNPFEDSA-N 0 1 258.340 3.708 20 0 CHADMN FC1(F)C[C@H]1OCCNCc1ccc(Cl)cc1Cl ZINC000657619698 1119209960 /nfs/dbraw/zinc/20/99/60/1119209960.db2.gz ZBTNOCKKSQHNKZ-LLVKDONJSA-N 0 1 296.144 3.507 20 0 CHADMN C[C@@H](N[C@@H](C)C1CC1)c1nc(C2CCCCC2)no1 ZINC000237529746 1119211713 /nfs/dbraw/zinc/21/17/13/1119211713.db2.gz NLDCVUMNJXTNSY-WDEREUQCSA-N 0 1 263.385 3.566 20 0 CHADMN Cc1ccc2oc(CNCc3cncn3C(C)C)cc2c1 ZINC000657652089 1119224687 /nfs/dbraw/zinc/22/46/87/1119224687.db2.gz ARLGWYQEBPUUHI-UHFFFAOYSA-N 0 1 283.375 3.808 20 0 CHADMN CCCCN(C)Cc1nc(-c2cccs2)oc1C ZINC000078468799 1119225677 /nfs/dbraw/zinc/22/56/77/1119225677.db2.gz IBFNZCHMSPTGGO-UHFFFAOYSA-N 0 1 264.394 3.943 20 0 CHADMN Cc1c2ccccc2oc1CN[C@H](C)c1cnc(C)nc1C ZINC000120007139 1119226768 /nfs/dbraw/zinc/22/67/68/1119226768.db2.gz FDHBQNLUPPEFHS-GFCCVEGCSA-N 0 1 295.386 3.999 20 0 CHADMN CC[C@](C)([NH2+]Cc1cccc([O-])c1Br)C1CC1 ZINC000657689442 1119246204 /nfs/dbraw/zinc/24/62/04/1119246204.db2.gz PDQHJKLDVKOTQN-AWEZNQCLSA-N 0 1 298.224 3.823 20 0 CHADMN C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ncc[nH]1 ZINC000138909795 1119251281 /nfs/dbraw/zinc/25/12/81/1119251281.db2.gz QZKGVNXEYBQZNO-QMTHXVAHSA-N 0 1 275.783 3.865 20 0 CHADMN C[C@@H](N[C@@H]1CCOC1)c1cc(Cl)cc(Cl)c1F ZINC000692390055 1119255318 /nfs/dbraw/zinc/25/53/18/1119255318.db2.gz LOHMLNZVMXEVTR-VXNVDRBHSA-N 0 1 278.154 3.572 20 0 CHADMN CC(C)c1noc([C@H](C)N[C@@H]2CCC[C@@H](C)[C@H]2C)n1 ZINC000078900277 1119258704 /nfs/dbraw/zinc/25/87/04/1119258704.db2.gz BLWBEPJMRPORNJ-FVCCEPFGSA-N 0 1 265.401 3.668 20 0 CHADMN c1nc(C2CC2)oc1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000628185067 1119266949 /nfs/dbraw/zinc/26/69/49/1119266949.db2.gz KKIVAVWTDFLBBK-UHFFFAOYSA-N 0 1 292.448 3.804 20 0 CHADMN c1nc(C2CC2)oc1CN1CCSC2(CCCCC2)C1 ZINC000628185067 1119266952 /nfs/dbraw/zinc/26/69/52/1119266952.db2.gz KKIVAVWTDFLBBK-UHFFFAOYSA-N 0 1 292.448 3.804 20 0 CHADMN C[C@H]1CSCCN(Cc2ccsc2C(F)(F)F)C1 ZINC000628252064 1128836702 /nfs/dbraw/zinc/83/67/02/1128836702.db2.gz HFUJTWKBIYWDLU-SECBINFHSA-N 0 1 295.395 3.952 20 0 CHADMN Cc1ncc(CN2CC[C@H](C)[C@@H]2c2cccc(F)c2)o1 ZINC000628185253 1119267842 /nfs/dbraw/zinc/26/78/42/1119267842.db2.gz RRPFRCOJRSNKET-MEDUHNTESA-N 0 1 274.339 3.705 20 0 CHADMN CCCCc1nc(CN2CCCC2(C)C)cs1 ZINC000343002892 1119278465 /nfs/dbraw/zinc/27/84/65/1119278465.db2.gz XXAMPDJZMUGDKE-UHFFFAOYSA-N 0 1 252.427 3.860 20 0 CHADMN C[C@H](N[C@@H]1CCCc2cccnc21)c1ccsc1 ZINC000091661574 1119279696 /nfs/dbraw/zinc/27/96/96/1119279696.db2.gz CBWPFOQEWGZJID-SMDDNHRTSA-N 0 1 258.390 3.871 20 0 CHADMN CCN(Cc1nc(C)c(C)[nH]1)[C@@H](C)Cc1ccsc1 ZINC000628241763 1128834492 /nfs/dbraw/zinc/83/44/92/1128834492.db2.gz GNDSHEBOTNICEB-NSHDSACASA-N 0 1 277.437 3.541 20 0 CHADMN CCCN(CCC)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000050792689 1119280274 /nfs/dbraw/zinc/28/02/74/1119280274.db2.gz XNQCWOKDYSKAGO-UHFFFAOYSA-N 0 1 292.452 3.512 20 0 CHADMN CCC(CC)CN1CCO[C@@H](c2ccsc2)C1 ZINC000153922327 1119297296 /nfs/dbraw/zinc/29/72/96/1119297296.db2.gz IVZUUUHKAUPVDN-CQSZACIVSA-N 0 1 253.411 3.558 20 0 CHADMN Cc1cc(C)n(-c2ccccc2CN[C@@H](C)c2ccco2)n1 ZINC000123547757 1119297873 /nfs/dbraw/zinc/29/78/73/1119297873.db2.gz RHBHPGWYTUZQJK-HNNXBMFYSA-N 0 1 295.386 3.933 20 0 CHADMN CCOc1ccc([C@H](C)NCc2occc2C)cc1OC ZINC000343070350 1119298908 /nfs/dbraw/zinc/29/89/08/1119298908.db2.gz HZWSRSDJKMICSC-ZDUSSCGKSA-N 0 1 289.375 3.846 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2CCC3(CCC3)C2)c(C)c1 ZINC000123616780 1119299453 /nfs/dbraw/zinc/29/94/53/1119299453.db2.gz JNCFNHQCKQHGEP-HNNXBMFYSA-N 0 1 286.419 3.506 20 0 CHADMN Cc1ncc(CN[C@H]2CCCOc3cc(C)ccc32)s1 ZINC000123662179 1119300320 /nfs/dbraw/zinc/30/03/20/1119300320.db2.gz BXRKDSDUUXKKJR-HNNXBMFYSA-N 0 1 288.416 3.763 20 0 CHADMN CCCN1Cc2cccc(N[C@H](C)c3cnc(C)cn3)c2C1 ZINC000427442007 1119302009 /nfs/dbraw/zinc/30/20/09/1119302009.db2.gz DKOWGNGEWNZLCG-CQSZACIVSA-N 0 1 296.418 3.684 20 0 CHADMN Cc1ccc(CN2CCSC[C@H]2c2ccccc2)o1 ZINC000349837411 1119302220 /nfs/dbraw/zinc/30/22/20/1119302220.db2.gz DNQCZNJWHGKALT-INIZCTEOSA-N 0 1 273.401 3.878 20 0 CHADMN COc1ccccc1CN(Cc1ccco1)C(C)C ZINC000349839687 1119304926 /nfs/dbraw/zinc/30/49/26/1119304926.db2.gz LWABULSVXBIMRX-UHFFFAOYSA-N 0 1 259.349 3.699 20 0 CHADMN COc1ncccc1CN[C@H]1CCc2ccc(Cl)cc21 ZINC000343092515 1119308199 /nfs/dbraw/zinc/30/81/99/1119308199.db2.gz RHWRQPBDOGUOBG-HNNXBMFYSA-N 0 1 288.778 3.521 20 0 CHADMN CC(C)[C@@H](O)[C@H](NCc1ccccc1F)c1ccccc1 ZINC000657742487 1119314900 /nfs/dbraw/zinc/31/49/00/1119314900.db2.gz RQJZTWFPLHOGIK-QZTJIDSGSA-N 0 1 287.378 3.674 20 0 CHADMN CC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000124623274 1119317934 /nfs/dbraw/zinc/31/79/34/1119317934.db2.gz BITHRSQCRJVFCW-UHFFFAOYSA-N 0 1 279.771 3.620 20 0 CHADMN CCN(Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000124623274 1119317936 /nfs/dbraw/zinc/31/79/36/1119317936.db2.gz BITHRSQCRJVFCW-UHFFFAOYSA-N 0 1 279.771 3.620 20 0 CHADMN CCc1ccc([C@H](C)NCc2cccnc2N(C)C)s1 ZINC000154810449 1119319691 /nfs/dbraw/zinc/31/96/91/1119319691.db2.gz JSJIISSOWOMIII-LBPRGKRZSA-N 0 1 289.448 3.622 20 0 CHADMN CCCCc1noc([C@H](C)N[C@@H]2CCC[C@H](C)[C@H]2C)n1 ZINC000248159065 1119323912 /nfs/dbraw/zinc/32/39/12/1119323912.db2.gz FRECQAOOVDZWCB-RFQIPJPRSA-N 0 1 279.428 3.888 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@@H]1CCc2ccccc21 ZINC000092327250 1119327956 /nfs/dbraw/zinc/32/79/56/1119327956.db2.gz PAKVAEWIMAPTGW-MEBBXXQBSA-N 0 1 256.349 3.630 20 0 CHADMN Cc1ncccc1CN(Cc1ccc(F)cc1)C1CC1 ZINC000155235963 1119330116 /nfs/dbraw/zinc/33/01/16/1119330116.db2.gz QZFLPSZBYLFSHX-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN Cn1c(Cl)cnc1C[N@@H+](CC1CCCCC1)C1CC1 ZINC000052244973 1119335807 /nfs/dbraw/zinc/33/58/07/1119335807.db2.gz OBRPSERBHXUFAP-UHFFFAOYSA-N 0 1 281.831 3.618 20 0 CHADMN Cn1c(Cl)cnc1CN(CC1CCCCC1)C1CC1 ZINC000052244973 1119335810 /nfs/dbraw/zinc/33/58/10/1119335810.db2.gz OBRPSERBHXUFAP-UHFFFAOYSA-N 0 1 281.831 3.618 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000583327110 1119340762 /nfs/dbraw/zinc/34/07/62/1119340762.db2.gz AJNCXSNWNZVUAM-AWEZNQCLSA-N 0 1 291.391 3.695 20 0 CHADMN Cc1cnc(CN[C@@H](C)CC(C)(C)c2ccccc2)o1 ZINC000231787879 1119342635 /nfs/dbraw/zinc/34/26/35/1119342635.db2.gz FEWLPDGYDQAFDF-ZDUSSCGKSA-N 0 1 272.392 3.829 20 0 CHADMN CC(C)Oc1ccc(F)c(Nc2nonc2C2CC2)c1 ZINC001212310442 1128839604 /nfs/dbraw/zinc/83/96/04/1128839604.db2.gz GDBGZRYYICSHQF-UHFFFAOYSA-N 0 1 277.299 3.617 20 0 CHADMN CSCC[C@H](C)N(C)Cc1coc(-c2cccs2)n1 ZINC000126545539 1119349897 /nfs/dbraw/zinc/34/98/97/1119349897.db2.gz YCMAITZMOSBODO-NSHDSACASA-N 0 1 296.461 3.977 20 0 CHADMN c1cc(CN(CCOC2CCCCCC2)C2CC2)ccn1 ZINC000093221730 1119357332 /nfs/dbraw/zinc/35/73/32/1119357332.db2.gz KAMNGZUWCSRZPB-UHFFFAOYSA-N 0 1 288.435 3.785 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1cc3n(n1)CCCC3)CC2 ZINC000647292953 1119360031 /nfs/dbraw/zinc/36/00/31/1119360031.db2.gz MXVNCULXBMPHRF-RDTXWAMCSA-N 0 1 295.430 3.866 20 0 CHADMN CCc1nocc1CN[C@@H](c1cccs1)C1CC1 ZINC000660175600 1128840575 /nfs/dbraw/zinc/84/05/75/1128840575.db2.gz LRUKWKNSMSDZMN-CQSZACIVSA-N 0 1 262.378 3.539 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@@H](C)Oc2cccc(Cl)c2)n1 ZINC000051018755 1119363811 /nfs/dbraw/zinc/36/38/11/1119363811.db2.gz LJXAYZBIXQPIRV-BXKDBHETSA-N 0 1 295.770 3.519 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1cccc(OC(C)C)c1F ZINC001212317834 1128841028 /nfs/dbraw/zinc/84/10/28/1128841028.db2.gz FXXWXHYPJLISQQ-UHFFFAOYSA-N 0 1 299.349 3.842 20 0 CHADMN CC[N@@H+](C/C=C/c1ccccc1)C1CCC(C(=O)[O-])CC1 ZINC000583511405 1119369802 /nfs/dbraw/zinc/36/98/02/1119369802.db2.gz CCLGHZGJPDDYDR-RMKNXTFCSA-N 0 1 287.403 3.665 20 0 CHADMN CO[C@H](CNCc1csc(C(C)(C)C)n1)C1CCCC1 ZINC000657765829 1119369969 /nfs/dbraw/zinc/36/99/69/1119369969.db2.gz FFYLCLUBUQEEBC-CQSZACIVSA-N 0 1 296.480 3.735 20 0 CHADMN COc1cc(C)ccc1CNCc1ccc(F)c(C)c1 ZINC000151033338 1119371792 /nfs/dbraw/zinc/37/17/92/1119371792.db2.gz BFHYYBYJYRRWTE-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN C[C@@H](NCc1ccc(CO)o1)c1ccc(F)c2ccccc21 ZINC000583587196 1119381175 /nfs/dbraw/zinc/38/11/75/1119381175.db2.gz ATGOVGUARWGUFE-GFCCVEGCSA-N 0 1 299.345 3.915 20 0 CHADMN CC[C@@H]1CCN1Cc1cccc(F)c1OCC(F)(F)F ZINC000628293022 1128842721 /nfs/dbraw/zinc/84/27/21/1128842721.db2.gz IMUJHKUNLDOCQR-LLVKDONJSA-N 0 1 291.288 3.751 20 0 CHADMN CC(C)n1cncc1CN1CC[C@@H](C)[C@H]2CCCC[C@H]21 ZINC000583689605 1119395290 /nfs/dbraw/zinc/39/52/90/1119395290.db2.gz CFGOCEPLDDYTMB-DJIMGWMZSA-N 0 1 275.440 3.865 20 0 CHADMN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)Cc1nccn1C ZINC000175430794 1119398203 /nfs/dbraw/zinc/39/82/03/1119398203.db2.gz NZABJQMPIBVQAX-CHWSQXEVSA-N 0 1 291.826 3.698 20 0 CHADMN CCN(Cc1csc(C(F)(F)F)c1)C[C@@H](C)OC ZINC000628290833 1128843469 /nfs/dbraw/zinc/84/34/69/1128843469.db2.gz ZOWVTAZZJWHIKQ-SECBINFHSA-N 0 1 281.343 3.624 20 0 CHADMN CC(C)C[C@@H]1OCCC[C@H]1NCc1cc(C(C)(C)C)on1 ZINC000583721695 1119401873 /nfs/dbraw/zinc/40/18/73/1119401873.db2.gz KOINMOMUDZEXAK-CABCVRRESA-N 0 1 294.439 3.655 20 0 CHADMN CC(C)(C)C(F)(F)CNC1CCN(c2ccccc2)CC1 ZINC000657792747 1119410832 /nfs/dbraw/zinc/41/08/32/1119410832.db2.gz FRBMGTRAQJRBKM-UHFFFAOYSA-N 0 1 296.405 3.926 20 0 CHADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000583817986 1119417857 /nfs/dbraw/zinc/41/78/57/1119417857.db2.gz JRORFNIFTZXJAT-LRDDRELGSA-N 0 1 293.382 3.925 20 0 CHADMN FC(F)(F)C[C@H](NCc1cc[nH]c1)c1ccccc1 ZINC000343441693 1119421864 /nfs/dbraw/zinc/42/18/64/1119421864.db2.gz GRLKVGKMSMSLIJ-ZDUSSCGKSA-N 0 1 268.282 3.798 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2NCc1cc2n(n1)CCCC2 ZINC000657799318 1119422797 /nfs/dbraw/zinc/42/27/97/1119422797.db2.gz ULSJUMOYNSHQFV-IBGZPJMESA-N 0 1 295.430 3.695 20 0 CHADMN COc1cccc(CN[C@H]2CCCc3c(C)cccc32)n1 ZINC000657799838 1119424900 /nfs/dbraw/zinc/42/49/00/1119424900.db2.gz ZIPARGNYLCHMEM-KRWDZBQOSA-N 0 1 282.387 3.566 20 0 CHADMN COc1cccc(CNCc2cccc(C)c2F)c1C ZINC000657803641 1119428229 /nfs/dbraw/zinc/42/82/29/1119428229.db2.gz QOKXSJZRXIZYGK-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN CC(C)CC[C@H]1CCCC[N@H+]1Cc1nnc(C(C)C)o1 ZINC000158134351 1119434151 /nfs/dbraw/zinc/43/41/51/1119434151.db2.gz FAOMKNPZNNAWBX-CQSZACIVSA-N 0 1 279.428 3.984 20 0 CHADMN CC(C)CC[C@H]1CCCCN1Cc1nnc(C(C)C)o1 ZINC000158134351 1119434153 /nfs/dbraw/zinc/43/41/53/1119434153.db2.gz FAOMKNPZNNAWBX-CQSZACIVSA-N 0 1 279.428 3.984 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CCCC2(CC2)CC1 ZINC000626114264 1119437015 /nfs/dbraw/zinc/43/70/15/1119437015.db2.gz ZPNSHYHKTRSBHM-LBPRGKRZSA-N 0 1 277.412 3.694 20 0 CHADMN Cc1ccccc1C1(N[C@H](C)c2cncs2)CC1 ZINC000647316132 1119439929 /nfs/dbraw/zinc/43/99/29/1119439929.db2.gz RFFCVEBOCKSJRW-GFCCVEGCSA-N 0 1 258.390 3.791 20 0 CHADMN CN(CCc1cccs1)Cc1nc(C2CC2)cs1 ZINC000343535919 1119445529 /nfs/dbraw/zinc/44/55/29/1119445529.db2.gz JWYXTAGTIIKIOC-UHFFFAOYSA-N 0 1 278.446 3.757 20 0 CHADMN C[C@@H](O)[C@@H](NCc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000657818569 1119457502 /nfs/dbraw/zinc/45/75/02/1119457502.db2.gz RCZZWESNFFGVCJ-BDJLRTHQSA-N 0 1 293.769 3.691 20 0 CHADMN C[C@H](O)[C@@H](NCc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000657820522 1119462614 /nfs/dbraw/zinc/46/26/14/1119462614.db2.gz WXNJTOOENIWRDC-MEDUHNTESA-N 0 1 293.769 3.691 20 0 CHADMN Cc1nc(C[N@H+]2CC(C)(C)C[C@@H]2c2ccccc2)[nH]c1C ZINC000628319514 1128847970 /nfs/dbraw/zinc/84/79/70/1128847970.db2.gz QOCNUPXBJJKWPG-MRXNPFEDSA-N 0 1 283.419 4.000 20 0 CHADMN C[C@H](N(C)Cc1csc(C2CC2)n1)C(C)(C)C ZINC000536204982 1119466367 /nfs/dbraw/zinc/46/63/67/1119466367.db2.gz PCZYFZOEISAXTB-JTQLQIEISA-N 0 1 252.427 3.887 20 0 CHADMN Cc1nc(CN2CC(C)(C)C[C@@H]2c2ccccc2)[nH]c1C ZINC000628319514 1128847977 /nfs/dbraw/zinc/84/79/77/1128847977.db2.gz QOCNUPXBJJKWPG-MRXNPFEDSA-N 0 1 283.419 4.000 20 0 CHADMN Fc1cccc(Cl)c1CC[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000566846974 1119466708 /nfs/dbraw/zinc/46/67/08/1119466708.db2.gz HNQCRBFMJNSTAK-HOTGVXAUSA-N 0 1 297.801 3.665 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CCC[C@@H]1C1CCCCC1 ZINC000343599315 1119468045 /nfs/dbraw/zinc/46/80/45/1119468045.db2.gz YPEGCJLFARHQMV-MRXNPFEDSA-N 0 1 297.402 3.748 20 0 CHADMN CC[C@@H](C)[C@@H](C)[N@@H+](CCc1ccccc1C(=O)[O-])C1CC1 ZINC000565101202 1119468443 /nfs/dbraw/zinc/46/84/43/1119468443.db2.gz AWXDOAKRYWOQIX-ZIAGYGMSSA-N 0 1 289.419 3.826 20 0 CHADMN CCCCOC1CCN(CCc2cccc(F)c2F)CC1 ZINC000343605715 1119469608 /nfs/dbraw/zinc/46/96/08/1119469608.db2.gz IQFABXJJFBYKMU-UHFFFAOYSA-N 0 1 297.389 3.788 20 0 CHADMN C[C@@H](N[C@@H]1CCCn2nccc21)c1cc2ccccc2o1 ZINC000657824049 1119470333 /nfs/dbraw/zinc/47/03/33/1119470333.db2.gz CIPXPZPOPYCQLV-TZMCWYRMSA-N 0 1 281.359 3.815 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2ccccc21)c1cncs1 ZINC000133529900 1119470958 /nfs/dbraw/zinc/47/09/58/1119470958.db2.gz JAZRDQQDDOURRV-DGCLKSJQSA-N 0 1 274.389 3.708 20 0 CHADMN CCCN(C)Cc1cc(Cl)ccc1Br ZINC000308594199 1119471325 /nfs/dbraw/zinc/47/13/25/1119471325.db2.gz XLRJYRMXKCWBRA-UHFFFAOYSA-N 0 1 276.605 3.944 20 0 CHADMN Cc1ccc([C@H](C)N(C)C(=O)c2cnc(C3CC3)[nH]2)c(C)c1 ZINC000343638509 1119476596 /nfs/dbraw/zinc/47/65/96/1119476596.db2.gz DFEGRRVIUHVIJE-ZDUSSCGKSA-N 0 1 297.402 3.737 20 0 CHADMN Cc1nc(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)[nH]c1C ZINC000628173015 1119481122 /nfs/dbraw/zinc/48/11/22/1119481122.db2.gz FDPVWDXZOIPLEQ-CQSZACIVSA-N 0 1 289.810 3.669 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)[nH]c1C ZINC000628173015 1119481123 /nfs/dbraw/zinc/48/11/23/1119481123.db2.gz FDPVWDXZOIPLEQ-CQSZACIVSA-N 0 1 289.810 3.669 20 0 CHADMN CCC[C@@H]1CCC[N@@H+](Cc2ccc(O)c(F)c2)C1 ZINC000708466254 1119481308 /nfs/dbraw/zinc/48/13/08/1119481308.db2.gz GUJZXTUXNLOVBL-GFCCVEGCSA-N 0 1 251.345 3.543 20 0 CHADMN CCC[C@@H]1CCC[N@H+](Cc2ccc([O-])c(F)c2)C1 ZINC000708466254 1119481311 /nfs/dbraw/zinc/48/13/11/1119481311.db2.gz GUJZXTUXNLOVBL-GFCCVEGCSA-N 0 1 251.345 3.543 20 0 CHADMN CCC[C@@H]1CCC[N@@H+](Cc2ccc([O-])c(F)c2)C1 ZINC000708466254 1119481315 /nfs/dbraw/zinc/48/13/15/1119481315.db2.gz GUJZXTUXNLOVBL-GFCCVEGCSA-N 0 1 251.345 3.543 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1nnc(C)n1CCC ZINC000343685655 1119486089 /nfs/dbraw/zinc/48/60/89/1119486089.db2.gz MUILWZDIPIVTLD-HNNXBMFYSA-N 0 1 278.444 3.541 20 0 CHADMN CCC[C@H]1CCCN(Cc2csc(NCC)n2)C1 ZINC000708500734 1119501378 /nfs/dbraw/zinc/50/13/78/1119501378.db2.gz MDEQDMGALSGZSL-LBPRGKRZSA-N 0 1 267.442 3.587 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(C(F)F)nc2)cn1 ZINC000657839942 1119503178 /nfs/dbraw/zinc/50/31/78/1119503178.db2.gz IYXIKUBNGFTALH-LLVKDONJSA-N 0 1 277.318 3.573 20 0 CHADMN CCC(C)(C)OCCN[C@H]1CCc2c1nccc2Cl ZINC000926558769 1119503401 /nfs/dbraw/zinc/50/34/01/1119503401.db2.gz HWPKCSXWLRWRQD-ZDUSSCGKSA-N 0 1 282.815 3.517 20 0 CHADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)CCCCCC(=O)[O-] ZINC000584356694 1119503904 /nfs/dbraw/zinc/50/39/04/1119503904.db2.gz ZGHMUEQJPYIZTD-INIZCTEOSA-N 0 1 277.408 3.585 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000566978978 1119506786 /nfs/dbraw/zinc/50/67/86/1119506786.db2.gz HWTOSTWVNQRIOZ-YOEHRIQHSA-N 0 1 295.382 3.763 20 0 CHADMN CCc1ccc(C)[nH+]c1Nc1ccc(C(=O)[O-])cc1C ZINC001211615461 1119512056 /nfs/dbraw/zinc/51/20/56/1119512056.db2.gz QRXOQHFQYCONEZ-UHFFFAOYSA-N 0 1 270.332 3.703 20 0 CHADMN CCOC(=O)c1oc2ccccc2c1CN1CCC12CCC2 ZINC000081580180 1119517335 /nfs/dbraw/zinc/51/73/35/1119517335.db2.gz AJRFZNMUQOKXJR-UHFFFAOYSA-N 0 1 299.370 3.738 20 0 CHADMN C[C@@H]1CC[C@@H](c2nnc(CCC3CCCCC3)o2)NC1 ZINC001217701265 1119518833 /nfs/dbraw/zinc/51/88/33/1119518833.db2.gz CNIDGGYVZMNSMI-OCCSQVGLSA-N 0 1 277.412 3.643 20 0 CHADMN CCSCCN1CC[C@H]1c1ccc(Cl)cc1 ZINC000081605636 1119519723 /nfs/dbraw/zinc/51/97/23/1119519723.db2.gz WWAUEBRHQFPPSN-ZDUSSCGKSA-N 0 1 255.814 3.840 20 0 CHADMN C[C@@H]1C[C@H](N[C@H](CO)c2ccsc2)c2ccccc21 ZINC000343790903 1119536253 /nfs/dbraw/zinc/53/62/53/1119536253.db2.gz INTPCJZLUVRLGY-XFBWCDHKSA-N 0 1 273.401 3.620 20 0 CHADMN COCC[C@H](C)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000088493167 1119536266 /nfs/dbraw/zinc/53/62/66/1119536266.db2.gz SAHKRGVULDFOFR-VIFPVBQESA-N 0 1 297.811 3.642 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2C[C@H]1C)c1nccs1 ZINC000089613710 1119539899 /nfs/dbraw/zinc/53/98/99/1119539899.db2.gz NBIQCJFNCRCIKI-SUNKGSAMSA-N 0 1 258.390 3.727 20 0 CHADMN Cc1cc(-c2nnc(CN3CCC[C@@H](C)CC3)o2)c(C)o1 ZINC000089888651 1119543636 /nfs/dbraw/zinc/54/36/36/1119543636.db2.gz AZVWNIHEHIYWKQ-LLVKDONJSA-N 0 1 289.379 3.568 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H]2COc3ccc(C)cc32)cc1 ZINC000090452871 1119544284 /nfs/dbraw/zinc/54/42/84/1119544284.db2.gz NANFDCGUFLGIGF-CXAGYDPISA-N 0 1 283.371 3.788 20 0 CHADMN COc1ccc(F)c(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)c1 ZINC000628392470 1128853388 /nfs/dbraw/zinc/85/33/88/1128853388.db2.gz QPUCOYILEZYFAR-GHMZBOCLSA-N 0 1 287.325 3.557 20 0 CHADMN COCc1ccc([C@H]2CCCN2Cc2cccs2)o1 ZINC000137070347 1119548699 /nfs/dbraw/zinc/54/86/99/1119548699.db2.gz XQQBIPVKFHOGPX-CQSZACIVSA-N 0 1 277.389 3.825 20 0 CHADMN CN(CC(=O)Nc1cccc2ccccc21)C(C)(C)C ZINC000567046627 1119553224 /nfs/dbraw/zinc/55/32/24/1119553224.db2.gz LFIJWUFHRMLBCH-UHFFFAOYSA-N 0 1 270.376 3.509 20 0 CHADMN COc1cccc(CN[C@H](c2ccc(C)cc2)C2CC2)n1 ZINC000091333315 1119554871 /nfs/dbraw/zinc/55/48/71/1119554871.db2.gz ZPCVEMPQLBAQRO-GOSISDBHSA-N 0 1 282.387 3.640 20 0 CHADMN C[C@@H](NCc1cccc(O)c1)c1ccc(C(F)F)nc1 ZINC000657865536 1119558409 /nfs/dbraw/zinc/55/84/09/1119558409.db2.gz UMDOSRDGYRQGQC-SNVBAGLBSA-N 0 1 278.302 3.576 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H](C)c3cccc(C)c3)ccc12 ZINC000091825360 1119560679 /nfs/dbraw/zinc/56/06/79/1119560679.db2.gz CEEYRJPOMUXGSE-GFCCVEGCSA-N 0 1 293.370 3.922 20 0 CHADMN Fc1cc(CN2CCC[C@H](c3ncc[nH]3)C2)ccc1Cl ZINC000092073850 1119561508 /nfs/dbraw/zinc/56/15/08/1119561508.db2.gz QMWDNUYCHNAVLR-LBPRGKRZSA-N 0 1 293.773 3.582 20 0 CHADMN CCOc1cccc(CN2CC[C@@H](C)C2)c1OC(F)F ZINC000092471274 1119562915 /nfs/dbraw/zinc/56/29/15/1119562915.db2.gz BURSZVAEVJNEGS-LLVKDONJSA-N 0 1 285.334 3.529 20 0 CHADMN C[C@H](N[C@H]1CCc2c1cccc2F)c1ccc(F)cn1 ZINC000092742121 1119564878 /nfs/dbraw/zinc/56/48/78/1119564878.db2.gz ISFYSJGVWBBEDJ-QFYYESIMSA-N 0 1 274.314 3.698 20 0 CHADMN C[C@@H]1CCCN(Cc2ncccc2C(F)(F)F)[C@@H]1C ZINC000092737182 1119565283 /nfs/dbraw/zinc/56/52/83/1119565283.db2.gz AHBITGCILRXIRB-GHMZBOCLSA-N 0 1 272.314 3.721 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2ccc(F)cn2)c(C)c1 ZINC000092742973 1119565220 /nfs/dbraw/zinc/56/52/20/1119565220.db2.gz KYGZNCJODBEYPA-CQSZACIVSA-N 0 1 272.367 3.997 20 0 CHADMN C[C@@H](NCCOC1CCCCCC1)c1ccc(F)cn1 ZINC000092750536 1119566789 /nfs/dbraw/zinc/56/67/89/1119566789.db2.gz UQKSPHHVEWRKTO-CYBMUJFWSA-N 0 1 280.387 3.611 20 0 CHADMN Cc1ncc(CN[C@H]2CCCc3ccc(F)cc32)s1 ZINC000093116123 1119570040 /nfs/dbraw/zinc/57/00/40/1119570040.db2.gz ZKQBUSCDBCXXKE-HNNXBMFYSA-N 0 1 276.380 3.758 20 0 CHADMN C[C@@H](c1cccnc1)N(C)CCO[C@@H]1CCCC[C@H]1C ZINC000093234709 1119570863 /nfs/dbraw/zinc/57/08/63/1119570863.db2.gz WBUHVVCFUUIOPC-HLLBOEOZSA-N 0 1 276.424 3.670 20 0 CHADMN CN(CCc1nccs1)Cc1cccc(F)c1Cl ZINC000093208318 1119570983 /nfs/dbraw/zinc/57/09/83/1119570983.db2.gz SDYKXEJQGNYBMV-UHFFFAOYSA-N 0 1 284.787 3.610 20 0 CHADMN OCCCC[N@@H+](Cc1cnc(C2CCCC2)s1)C1CC1 ZINC000093383079 1119573790 /nfs/dbraw/zinc/57/37/90/1119573790.db2.gz DIHXREBEQCEPDB-UHFFFAOYSA-N 0 1 294.464 3.538 20 0 CHADMN OCCCCN(Cc1cnc(C2CCCC2)s1)C1CC1 ZINC000093383079 1119573794 /nfs/dbraw/zinc/57/37/94/1119573794.db2.gz DIHXREBEQCEPDB-UHFFFAOYSA-N 0 1 294.464 3.538 20 0 CHADMN CC1(C)CCN1Cc1cnc(-c2cccs2)s1 ZINC000093460379 1119574333 /nfs/dbraw/zinc/57/43/33/1119574333.db2.gz HBLAJBRTILBCHI-UHFFFAOYSA-N 0 1 264.419 3.856 20 0 CHADMN CSCc1ccc(CN[C@@H](C)c2ccns2)cc1 ZINC000725123153 1119596293 /nfs/dbraw/zinc/59/62/93/1119596293.db2.gz LNENUTFRQHSJNZ-NSHDSACASA-N 0 1 278.446 3.857 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@@H](CCO)c1ccccc1F ZINC000647345113 1119598058 /nfs/dbraw/zinc/59/80/58/1119598058.db2.gz DWCVIFSJRMADAN-KSSFIOAISA-N 0 1 287.378 3.908 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@@H](CCO)c1ccccc1F ZINC000647345486 1119598139 /nfs/dbraw/zinc/59/81/39/1119598139.db2.gz KBHBBTKDBHYJTA-WFASDCNBSA-N 0 1 293.407 3.970 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccccc1)c1cc2cnccc2o1 ZINC000657888898 1119603967 /nfs/dbraw/zinc/60/39/67/1119603967.db2.gz ROESYYRDOPKSLI-XJKSGUPXSA-N 0 1 296.370 3.602 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000685415043 1119603983 /nfs/dbraw/zinc/60/39/83/1119603983.db2.gz MTECUEGFVGEBJZ-MRXNPFEDSA-N 0 1 282.387 3.557 20 0 CHADMN [O-]c1cccnc1C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000685415043 1119603984 /nfs/dbraw/zinc/60/39/84/1119603984.db2.gz MTECUEGFVGEBJZ-MRXNPFEDSA-N 0 1 282.387 3.557 20 0 CHADMN CC(C)C[C@@H](C)CN[C@H](c1nccn1C)c1ccccc1 ZINC000685421250 1119605759 /nfs/dbraw/zinc/60/57/59/1119605759.db2.gz NNENMJIXVFEZCA-WBVHZDCISA-N 0 1 285.435 3.781 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3occc3c2)nc1 ZINC000685429314 1119607103 /nfs/dbraw/zinc/60/71/03/1119607103.db2.gz IMDXINOWBNMPFG-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN c1cc([C@H]2CCCC[N@@H+]2C[C@H]2CCOc3ccccc32)n[nH]1 ZINC000685438115 1119608657 /nfs/dbraw/zinc/60/86/57/1119608657.db2.gz MPRVPBGCCZORHU-RHSMWYFYSA-N 0 1 297.402 3.503 20 0 CHADMN COc1ccccc1/C=C\CN1CCC[C@@H]1c1ccncc1 ZINC000685452336 1119609077 /nfs/dbraw/zinc/60/90/77/1119609077.db2.gz HTNNZYVZPNWGFL-NCRRVARUSA-N 0 1 294.398 3.941 20 0 CHADMN CC[C@H](NCc1ccc(C)cn1)c1ccc(F)cc1 ZINC000400878364 1119623039 /nfs/dbraw/zinc/62/30/39/1119623039.db2.gz ONIUDTGPGCYGSP-INIZCTEOSA-N 0 1 258.340 3.770 20 0 CHADMN FC(F)(F)C1(C(F)(F)F)CCN([C@@H]2C=CCCC2)C1 ZINC000172254206 1119628720 /nfs/dbraw/zinc/62/87/20/1119628720.db2.gz TURUNSVYTCZUCE-SECBINFHSA-N 0 1 287.247 3.912 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@@H]2c2ccc(F)cc2)o1 ZINC000685560960 1119630418 /nfs/dbraw/zinc/63/04/18/1119630418.db2.gz LFSWIXMOLUOCDE-OAHLLOKOSA-N 0 1 274.339 3.768 20 0 CHADMN COc1ccc2nc(SCc3cccnc3C)[nH]c2c1 ZINC000685564547 1119631530 /nfs/dbraw/zinc/63/15/30/1119631530.db2.gz OSFWRPLHUMXICI-UHFFFAOYSA-N 0 1 285.372 3.567 20 0 CHADMN Cc1nc(C)c(CN2CCC(c3ccccc3F)CC2)o1 ZINC000685565434 1119631540 /nfs/dbraw/zinc/63/15/40/1119631540.db2.gz ZLNKPIGHKOQABM-UHFFFAOYSA-N 0 1 288.366 3.810 20 0 CHADMN Cc1nc(C)c(CN2CCS[C@H](c3ccccc3)C2)o1 ZINC000685564928 1119632145 /nfs/dbraw/zinc/63/21/45/1119632145.db2.gz XUEZRANIMJBOFR-INIZCTEOSA-N 0 1 288.416 3.582 20 0 CHADMN Cc1nc(C)c(CN2CCS[C@@H](c3ccccc3)C2)o1 ZINC000685564929 1119632231 /nfs/dbraw/zinc/63/22/31/1119632231.db2.gz XUEZRANIMJBOFR-MRXNPFEDSA-N 0 1 288.416 3.582 20 0 CHADMN Cc1nc(C)c(CN(C)Cc2cc(C)ccc2C)o1 ZINC000685575930 1119634132 /nfs/dbraw/zinc/63/41/32/1119634132.db2.gz LZQJNOPEPQTZRC-UHFFFAOYSA-N 0 1 258.365 3.540 20 0 CHADMN Cc1nc(C)c(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)o1 ZINC000685575141 1119634309 /nfs/dbraw/zinc/63/43/09/1119634309.db2.gz JVDSEQVEUUTIET-GFCCVEGCSA-N 0 1 290.329 3.702 20 0 CHADMN CCN(Cc1c[nH]c2ccccc12)Cc1oc(C)nc1C ZINC000685574511 1119634502 /nfs/dbraw/zinc/63/45/02/1119634502.db2.gz UTLMDXJSPFXYNF-UHFFFAOYSA-N 0 1 283.375 3.795 20 0 CHADMN Brc1ccc(CN2CC[C@H]3CCC[C@H]32)s1 ZINC000306449269 1119635174 /nfs/dbraw/zinc/63/51/74/1119635174.db2.gz AIHFAVSSAJOVIZ-MWLCHTKSSA-N 0 1 286.238 3.885 20 0 CHADMN CC1(C)CN(Cc2cccc(Cl)c2)[C@@H]1[C@H]1CCCO1 ZINC000685587833 1119635266 /nfs/dbraw/zinc/63/52/66/1119635266.db2.gz WQBGMWFGQKHCHN-HUUCEWRRSA-N 0 1 279.811 3.729 20 0 CHADMN CC[C@@H]1CCC[C@H](N[C@@H](C)c2csnn2)CC1 ZINC000398222675 1119636967 /nfs/dbraw/zinc/63/69/67/1119636967.db2.gz DQMXPUVOOCJXJV-TUAOUCFPSA-N 0 1 253.415 3.548 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(COC(C)(C)C)cc1 ZINC000685618766 1119639405 /nfs/dbraw/zinc/63/94/05/1119639405.db2.gz PHZYHRSVOZVLFS-UHFFFAOYSA-N 0 1 273.380 3.645 20 0 CHADMN C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cc2ccncc2s1 ZINC000657925840 1119642453 /nfs/dbraw/zinc/64/24/53/1119642453.db2.gz POSZESHOIGMWAG-GWCFXTLKSA-N 0 1 298.415 3.748 20 0 CHADMN C[C@H](N[C@H]1CCCc2c[nH]nc21)c1cc2ccncc2s1 ZINC000657925840 1119642455 /nfs/dbraw/zinc/64/24/55/1119642455.db2.gz POSZESHOIGMWAG-GWCFXTLKSA-N 0 1 298.415 3.748 20 0 CHADMN Cn1ncc(CN[C@H]2CCSc3ccccc32)c1C1CC1 ZINC000892415537 1119656034 /nfs/dbraw/zinc/65/60/34/1119656034.db2.gz JMXRRWKBUNOBOV-HNNXBMFYSA-N 0 1 299.443 3.624 20 0 CHADMN Cc1cc(CN[C@H]2CCSc3ccccc32)cnc1F ZINC000892416583 1119656212 /nfs/dbraw/zinc/65/62/12/1119656212.db2.gz ZODSZECSKJEJSZ-AWEZNQCLSA-N 0 1 288.391 3.856 20 0 CHADMN CCn1cc(CN[C@H]2CCSc3ccccc32)c(C)n1 ZINC000892416312 1119657002 /nfs/dbraw/zinc/65/70/02/1119657002.db2.gz UTEBQPVBJRIRJK-HNNXBMFYSA-N 0 1 287.432 3.538 20 0 CHADMN CCn1cc(CN[C@@H]2CCSc3ccccc32)c(C)n1 ZINC000892416313 1119657082 /nfs/dbraw/zinc/65/70/82/1119657082.db2.gz UTEBQPVBJRIRJK-OAHLLOKOSA-N 0 1 287.432 3.538 20 0 CHADMN CCSc1cccc(CN[C@H]2CCCn3nccc32)c1 ZINC000658021968 1119667452 /nfs/dbraw/zinc/66/74/52/1119667452.db2.gz XINFEXVZJSBXJO-HNNXBMFYSA-N 0 1 287.432 3.620 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000191227013 1119670337 /nfs/dbraw/zinc/67/03/37/1119670337.db2.gz ZRLZVYAQKBCITL-VIFPVBQESA-N 0 1 283.730 3.971 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccc(C(F)F)nc1 ZINC000658034859 1119671948 /nfs/dbraw/zinc/67/19/48/1119671948.db2.gz LQCZEANMVMZXAH-MVWJERBFSA-N 0 1 272.314 3.951 20 0 CHADMN CC[C@H](C)CCN[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000658120560 1119688512 /nfs/dbraw/zinc/68/85/12/1119688512.db2.gz KUCHAQGBXJGAPS-XJKSGUPXSA-N 0 1 289.398 3.674 20 0 CHADMN C[C@@H](COc1c(F)cccc1F)N[C@@H](C)c1nccs1 ZINC000658177846 1119697206 /nfs/dbraw/zinc/69/72/06/1119697206.db2.gz CSBVBHOMUQYMAW-UWVGGRQHSA-N 0 1 298.358 3.539 20 0 CHADMN CCn1cc(CN[C@@H](c2ccc(C)cc2)C2CCCC2)nn1 ZINC000658177829 1119697321 /nfs/dbraw/zinc/69/73/21/1119697321.db2.gz WDZXPTBCSGMLPH-GOSISDBHSA-N 0 1 298.434 3.628 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000381010738 1128863383 /nfs/dbraw/zinc/86/33/83/1128863383.db2.gz JYWHVTCFSVIXGE-GUTXKFCHSA-N 0 1 255.365 3.548 20 0 CHADMN CC[C@H](NCc1cc(COC)cs1)c1ccc(F)cn1 ZINC000658209483 1119702660 /nfs/dbraw/zinc/70/26/60/1119702660.db2.gz FURLFEIFTNESDX-AWEZNQCLSA-N 0 1 294.395 3.670 20 0 CHADMN C[C@@H]1CCC[C@H](CN[C@H](c2ccccc2)c2ccccn2)O1 ZINC000658221994 1119704472 /nfs/dbraw/zinc/70/44/72/1119704472.db2.gz VRCMFIPGBJNOQS-SZVBFZGTSA-N 0 1 296.414 3.718 20 0 CHADMN CC[C@H](NCc1c(C2CC2)cnn1C)c1cccc(F)c1 ZINC000658213613 1119707452 /nfs/dbraw/zinc/70/74/52/1119707452.db2.gz RRKNJGPOFCGYFL-INIZCTEOSA-N 0 1 287.382 3.678 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@@H]2C2CCC2)cc1 ZINC000647377283 1119711473 /nfs/dbraw/zinc/71/14/73/1119711473.db2.gz ACVXKPUOIJZOPV-MRXNPFEDSA-N 0 1 273.376 3.539 20 0 CHADMN Oc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3occc31)CC2 ZINC000658234424 1119712624 /nfs/dbraw/zinc/71/26/24/1119712624.db2.gz AEDYQBJRUZMYKP-CVEARBPZSA-N 0 1 269.344 3.640 20 0 CHADMN C[C@H](c1ccccn1)[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000191461408 1119714459 /nfs/dbraw/zinc/71/44/59/1119714459.db2.gz KWSRGQYZEHXQQY-SNVBAGLBSA-N 0 1 294.757 3.773 20 0 CHADMN Clc1ccc([C@H]2CC[C@H](NCc3ncccn3)C2)cc1 ZINC000658276085 1119715140 /nfs/dbraw/zinc/71/51/40/1119715140.db2.gz NRWFYQLBTDKCJF-ZFWWWQNUSA-N 0 1 287.794 3.556 20 0 CHADMN Cc1cncc([C@H](C)N[C@H](c2ccccc2)[C@H](O)C(C)C)c1 ZINC000658288107 1119718824 /nfs/dbraw/zinc/71/88/24/1119718824.db2.gz MXKIYYPKZYRDEH-KFKAGJAMSA-N 0 1 298.430 3.799 20 0 CHADMN COc1cccc(C2(N[C@@H](C)c3ccccn3)CCC2)c1 ZINC000658323026 1119723670 /nfs/dbraw/zinc/72/36/70/1119723670.db2.gz HFDZQEAZQIVJNK-AWEZNQCLSA-N 0 1 282.387 3.820 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@@H]2N[C@H](C)c1nccn1C ZINC000658336022 1119726222 /nfs/dbraw/zinc/72/62/22/1119726222.db2.gz LVMNGURINAAQOP-ZBFHGGJFSA-N 0 1 283.419 3.765 20 0 CHADMN CCOC1CCC(NCC(F)(F)C(C)(C)C)CC1 ZINC000658337322 1119726246 /nfs/dbraw/zinc/72/62/46/1119726246.db2.gz CNNWFAXZAMHBAV-UHFFFAOYSA-N 0 1 263.372 3.605 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c3ccccc3[nH]c21)c1nccn1C ZINC000658337737 1119727466 /nfs/dbraw/zinc/72/74/66/1119727466.db2.gz GINRBLNGHFYSAK-MLGOLLRUSA-N 0 1 294.402 3.630 20 0 CHADMN CO[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000658332715 1119729063 /nfs/dbraw/zinc/72/90/63/1119729063.db2.gz RCEGCCFELROPCJ-XWIAVFTESA-N 0 1 282.387 3.577 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccc(C)o2)c1C ZINC000658351322 1119729428 /nfs/dbraw/zinc/72/94/28/1119729428.db2.gz BQMNTOFYETYQIB-CYBMUJFWSA-N 0 1 259.349 3.756 20 0 CHADMN C[C@H](O)[C@H](N[C@@H](C)c1cc2cnccc2o1)c1ccccc1 ZINC000658357341 1119730827 /nfs/dbraw/zinc/73/08/27/1119730827.db2.gz POBKSEICLVWWBI-LXIYXOSZSA-N 0 1 296.370 3.601 20 0 CHADMN CCC[C@@H](NCc1ccc([C@@H](C)O)cc1)c1ccccn1 ZINC000179463919 1119738651 /nfs/dbraw/zinc/73/86/51/1119738651.db2.gz RNGFSACHQMKMHG-RHSMWYFYSA-N 0 1 284.403 3.766 20 0 CHADMN CCSc1ccc([C@H](C)N[C@@H](C)c2ccnn2C)cc1 ZINC000192818702 1119744133 /nfs/dbraw/zinc/74/41/33/1119744133.db2.gz ORCCPSVZVDQMDO-STQMWFEESA-N 0 1 289.448 3.944 20 0 CHADMN CC[C@H](NCc1cc(C)ns1)c1ccccc1F ZINC000404263421 1119750855 /nfs/dbraw/zinc/75/08/55/1119750855.db2.gz CAIFOHCUVIKLAO-AWEZNQCLSA-N 0 1 264.369 3.832 20 0 CHADMN Cc1cc(CN[C@H]2CCc3ccc(C)cc32)sn1 ZINC000404374521 1119752295 /nfs/dbraw/zinc/75/22/95/1119752295.db2.gz JNHSVYMIFQZJAA-HNNXBMFYSA-N 0 1 258.390 3.537 20 0 CHADMN Cc1cc(CN[C@H]2CCSc3ccccc32)sn1 ZINC000404455942 1119754713 /nfs/dbraw/zinc/75/47/13/1119754713.db2.gz JPDYKXAESSCUHL-ZDUSSCGKSA-N 0 1 276.430 3.778 20 0 CHADMN CCCCC[C@H](N[C@@H](C)c1nc(COC)no1)C(C)(C)C ZINC000181335118 1128866759 /nfs/dbraw/zinc/86/67/59/1128866759.db2.gz BPGGDAAPGPLPAO-STQMWFEESA-N 0 1 297.443 3.862 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1Cc1cnc(C2CC2)o1 ZINC000628240101 1119760004 /nfs/dbraw/zinc/76/00/04/1119760004.db2.gz QKJFLKRRXHLZEU-INIZCTEOSA-N 0 1 282.387 3.889 20 0 CHADMN COc1ccc(CN[C@@H](c2ccccc2)C(C)C)o1 ZINC000892480430 1119767622 /nfs/dbraw/zinc/76/76/22/1119767622.db2.gz BEVODEKAGLTUEW-MRXNPFEDSA-N 0 1 259.349 3.775 20 0 CHADMN CC[C@H](C(=O)Nc1ccccc1Nc1ccccc1)N(C)C ZINC000413650318 1119771041 /nfs/dbraw/zinc/77/10/41/1119771041.db2.gz GFFXBZFJSMQDKM-QGZVFWFLSA-N 0 1 297.402 3.709 20 0 CHADMN CCC1(CC)CN(Cc2cnc(-c3ccccc3)nc2)C1 ZINC000569807096 1119771826 /nfs/dbraw/zinc/77/18/26/1119771826.db2.gz HCERZDRXLQZFKA-UHFFFAOYSA-N 0 1 281.403 3.766 20 0 CHADMN CC(=O)c1cc(CN2CCC[C@H]2CCC2CCCC2)on1 ZINC000584477673 1119782832 /nfs/dbraw/zinc/78/28/32/1119782832.db2.gz PTOIXEUKTPZHNA-HNNXBMFYSA-N 0 1 290.407 3.812 20 0 CHADMN COc1cncc(CN[C@@H](C)c2ccc3ncsc3c2)c1 ZINC000343825086 1119792783 /nfs/dbraw/zinc/79/27/83/1119792783.db2.gz QFLOOMIZVDTJLC-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN C#CCN(Cc1ccc(F)cc1)Cc1cccc(C)c1 ZINC000065958328 1119796381 /nfs/dbraw/zinc/79/63/81/1119796381.db2.gz MLKCMNYLYCZNEC-UHFFFAOYSA-N 0 1 267.347 3.770 20 0 CHADMN C[C@@H](NC1CSC1)c1ccc(Cl)cc1Cl ZINC000309001098 1119799124 /nfs/dbraw/zinc/79/91/24/1119799124.db2.gz OCYVMTNTYXVWIQ-SSDOTTSWSA-N 0 1 262.205 3.759 20 0 CHADMN CC(C)(C)c1ccc(NC(=O)c2cnc3nc[nH]c3c2)cc1 ZINC000082324071 1119810121 /nfs/dbraw/zinc/81/01/21/1119810121.db2.gz UGBQMDTZJDWPIH-UHFFFAOYSA-N 0 1 294.358 3.508 20 0 CHADMN Cc1cc(C)cc(CN[C@H](C)c2cn3c(n2)CCCC3)c1 ZINC000926696568 1119822834 /nfs/dbraw/zinc/82/28/34/1119822834.db2.gz RFPACUPOHJGTJT-OAHLLOKOSA-N 0 1 283.419 3.687 20 0 CHADMN CC[C@@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)[C@@H](CC)CO1 ZINC000628324495 1119833870 /nfs/dbraw/zinc/83/38/70/1119833870.db2.gz WHOUMESQWOXBSM-JKSUJKDBSA-N 0 1 272.392 3.557 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000570456980 1119834935 /nfs/dbraw/zinc/83/49/35/1119834935.db2.gz UDEDQAOCGVBFTK-HNNXBMFYSA-N 0 1 281.421 3.849 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCC[C@@H]1c1ccccn1 ZINC000545273781 1119835904 /nfs/dbraw/zinc/83/59/04/1119835904.db2.gz CNVRQWSOTPPWMF-QGZVFWFLSA-N 0 1 284.407 3.505 20 0 CHADMN Brc1ccnc(CN2CCC[C@H]3CCC[C@@H]32)c1 ZINC001140766073 1119841329 /nfs/dbraw/zinc/84/13/29/1119841329.db2.gz WYPUXDZVRWHHLS-RISCZKNCSA-N 0 1 295.224 3.609 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1ccn(C)n1)c1ccc(F)cc1 ZINC000414054028 1119868053 /nfs/dbraw/zinc/86/80/53/1119868053.db2.gz BHUKIRJFZFXWSQ-BLLLJJGKSA-N 0 1 275.371 3.607 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1nc2c(s1)CCC2 ZINC000685852653 1119873861 /nfs/dbraw/zinc/87/38/61/1119873861.db2.gz IGUMFSYOAOMHGE-LLVKDONJSA-N 0 1 252.427 3.642 20 0 CHADMN CCC[C@H](N[C@H](C)c1ccn(C)n1)c1ccccc1 ZINC000414070751 1119879893 /nfs/dbraw/zinc/87/98/93/1119879893.db2.gz SKNDUIYNRUQBKH-CJNGLKHVSA-N 0 1 257.381 3.612 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC000613196186 1119883020 /nfs/dbraw/zinc/88/30/20/1119883020.db2.gz CFOXFVBOSUJAAQ-UWVGGRQHSA-N 0 1 297.349 3.811 20 0 CHADMN Cc1nc(CNC(C)(C)COCc2ccccc2)cs1 ZINC000282197466 1119895553 /nfs/dbraw/zinc/89/55/53/1119895553.db2.gz LDEAYSNZUSVZIF-UHFFFAOYSA-N 0 1 290.432 3.537 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H](C)c2ccccc21)c1ccn(C)n1 ZINC000414110533 1119902447 /nfs/dbraw/zinc/90/24/47/1119902447.db2.gz WGLKSQCGRBZXSH-IIYDPXPESA-N 0 1 269.392 3.709 20 0 CHADMN CC[C@H](COC)N[C@H](C)c1csc(-c2ccccc2)n1 ZINC000414131490 1119911474 /nfs/dbraw/zinc/91/14/74/1119911474.db2.gz XZWPULYOEXWSAA-TZMCWYRMSA-N 0 1 290.432 3.886 20 0 CHADMN Cc1cc2nc(-c3ccc(N4CCCC4)nc3)[nH]c2cc1F ZINC000414152782 1119918631 /nfs/dbraw/zinc/91/86/31/1119918631.db2.gz YGJSVHIJLMUPQO-UHFFFAOYSA-N 0 1 296.349 3.673 20 0 CHADMN Cc1ccoc1CNCc1ccc2c(c1)CC(C)(C)O2 ZINC000291651843 1119920670 /nfs/dbraw/zinc/92/06/70/1119920670.db2.gz CVBBQMOJROCENW-UHFFFAOYSA-N 0 1 271.360 3.591 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(C)c(C)n2)c(C)c1 ZINC000414163485 1119922666 /nfs/dbraw/zinc/92/26/66/1119922666.db2.gz IVNLDHIQCXCVMO-OAHLLOKOSA-N 0 1 284.403 3.866 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@H](C)c1ccn(C)n1 ZINC000414175481 1119926796 /nfs/dbraw/zinc/92/67/96/1119926796.db2.gz IHQHTVWIXBXXDO-IOASZLSFSA-N 0 1 269.392 3.628 20 0 CHADMN CCCCCNC(=O)CN(C)Cc1cccc2ccccc21 ZINC000613446334 1119927963 /nfs/dbraw/zinc/92/79/63/1119927963.db2.gz SDQPUGYJBZBAQC-UHFFFAOYSA-N 0 1 298.430 3.578 20 0 CHADMN Cc1ccc(CCCN[C@H](C)c2ncco2)c(C)c1 ZINC000924575774 1119935113 /nfs/dbraw/zinc/93/51/13/1119935113.db2.gz NJCRLGXMWQGDEL-CQSZACIVSA-N 0 1 258.365 3.575 20 0 CHADMN COCC[C@H](C)CN[C@H](CCc1ccccc1)C(F)F ZINC000414203111 1119936425 /nfs/dbraw/zinc/93/64/25/1119936425.db2.gz NFSOLWSZPWBYNP-DZGCQCFKSA-N 0 1 285.378 3.515 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1cccc(-c2cccs2)c1 ZINC000170633378 1119937403 /nfs/dbraw/zinc/93/74/03/1119937403.db2.gz WOPJUNAYAOJDDK-UHFFFAOYSA-N 0 1 283.356 3.699 20 0 CHADMN CN(Cc1cccs1)Cc1cc(O)cc(Cl)c1 ZINC001140794403 1119938171 /nfs/dbraw/zinc/93/81/71/1119938171.db2.gz KTIXCQQQSHICGD-UHFFFAOYSA-N 0 1 267.781 3.739 20 0 CHADMN CCn1ccc(CN[C@H]2CC[C@H](C)c3ccccc32)n1 ZINC000414207893 1119940034 /nfs/dbraw/zinc/94/00/34/1119940034.db2.gz KSYSBOSOTMGCCZ-GUYCJALGSA-N 0 1 269.392 3.631 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1Cc1cn2ccccc2n1 ZINC000613493117 1119941332 /nfs/dbraw/zinc/94/13/32/1119941332.db2.gz DDVUZSHFKQVNRX-GOSISDBHSA-N 0 1 291.398 3.980 20 0 CHADMN CCn1ccc(CN[C@H](C)c2cc(C)c(C)cc2C)n1 ZINC000414216433 1119943201 /nfs/dbraw/zinc/94/32/01/1119943201.db2.gz ZYRKIDITJMAGHN-OAHLLOKOSA-N 0 1 271.408 3.679 20 0 CHADMN C[C@@H](N[C@@H](c1ccccn1)C1CCC1)c1ccns1 ZINC000926753355 1119947336 /nfs/dbraw/zinc/94/73/36/1119947336.db2.gz SHODURXRAKCCGQ-IAQYHMDHSA-N 0 1 273.405 3.730 20 0 CHADMN C[C@@H]1C[C@H](CN[C@@H](CCc2ccccc2)C(F)F)[C@@H](C)O1 ZINC000414249387 1119955782 /nfs/dbraw/zinc/95/57/82/1119955782.db2.gz FGHJJVFVOOKFCL-XOUADPBQSA-N 0 1 297.389 3.656 20 0 CHADMN CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2)nc1 ZINC000083596018 1119961801 /nfs/dbraw/zinc/96/18/01/1119961801.db2.gz ZZBNEFSFAWSQRI-SFHVURJKSA-N 0 1 282.387 3.817 20 0 CHADMN CCc1ncc(CN[C@H](CC)c2ccc(Cl)cc2)cn1 ZINC000414275238 1119962916 /nfs/dbraw/zinc/96/29/16/1119962916.db2.gz REAJPXDYLVJPPZ-OAHLLOKOSA-N 0 1 289.810 3.933 20 0 CHADMN C[C@@H](c1cnccn1)N1CCC(c2cccc(F)c2)CC1 ZINC000376384346 1119964412 /nfs/dbraw/zinc/96/44/12/1119964412.db2.gz IFQHQSDVDILCCS-ZDUSSCGKSA-N 0 1 285.366 3.556 20 0 CHADMN C[C@H](CN[C@@H](c1ncc[nH]1)c1ccccc1)CC(F)(F)F ZINC000414277836 1119964914 /nfs/dbraw/zinc/96/49/14/1119964914.db2.gz ZSKAXDZLMSQESN-WCQYABFASA-N 0 1 297.324 3.677 20 0 CHADMN CC[C@@H](C)[N@@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000170915802 1119969437 /nfs/dbraw/zinc/96/94/37/1119969437.db2.gz FZNGZPUUGSADNG-LLVKDONJSA-N 0 1 262.328 3.711 20 0 CHADMN CC[C@@H](C)N(C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000170915802 1119969440 /nfs/dbraw/zinc/96/94/40/1119969440.db2.gz FZNGZPUUGSADNG-LLVKDONJSA-N 0 1 262.328 3.711 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1cc(F)ccc1F ZINC000414292657 1119969464 /nfs/dbraw/zinc/96/94/64/1119969464.db2.gz VAENQXNDQMIJRX-CUOATXAZSA-N 0 1 257.299 3.896 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H]1CCCC[C@H]1F ZINC000414301200 1119972348 /nfs/dbraw/zinc/97/23/48/1119972348.db2.gz BLNYQQNMPUVNEX-HBNTYKKESA-N 0 1 257.374 3.688 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1Cc1noc(-c2ccccc2C)n1 ZINC000472579032 1119975111 /nfs/dbraw/zinc/97/51/11/1119975111.db2.gz OFCISUNBCXDEFX-GXTWGEPZSA-N 0 1 285.391 3.665 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1cccc(F)c1F ZINC000414335152 1119988355 /nfs/dbraw/zinc/98/83/55/1119988355.db2.gz BSECGDNAIUNCEA-UFGOTCBOSA-N 0 1 263.287 3.765 20 0 CHADMN CC1=CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000539827077 1119989278 /nfs/dbraw/zinc/98/92/78/1119989278.db2.gz WQFLVPKHACUHSQ-UHFFFAOYSA-N 0 1 270.401 3.962 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2CF)cc(OC(F)(F)F)c1 ZINC001143471565 1119990079 /nfs/dbraw/zinc/99/00/79/1119990079.db2.gz JHJGVATTYHJEGC-GFCCVEGCSA-N 0 1 291.288 3.828 20 0 CHADMN CSCC[N@@H+](C)Cc1cc(C)cc(OC(F)(F)F)c1 ZINC001143472705 1119995565 /nfs/dbraw/zinc/99/55/65/1119995565.db2.gz UBAHQQLYNONFTA-UHFFFAOYSA-N 0 1 293.354 3.688 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(C(C)(C)O)cc1)c1ccns1 ZINC000926775062 1119998545 /nfs/dbraw/zinc/99/85/45/1119998545.db2.gz VJLRFJJCFGTYAU-RYUDHWBXSA-N 0 1 290.432 3.782 20 0 CHADMN Cc1ccc2c(CN(C)Cc3cccs3)cc(=O)oc2c1 ZINC000016586743 1120002178 /nfs/dbraw/zinc/00/21/78/1120002178.db2.gz GRMVWBYAGOLMQZ-UHFFFAOYSA-N 0 1 299.395 3.795 20 0 CHADMN CCc1ncc(CN2CCC[C@H]2c2cccc(C)c2)cn1 ZINC000414373084 1120002909 /nfs/dbraw/zinc/00/29/09/1120002909.db2.gz RMMMFTBAZRHDJO-KRWDZBQOSA-N 0 1 281.403 3.685 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccccc2C)C(C)(C)C)nn1 ZINC000414373571 1120005675 /nfs/dbraw/zinc/00/56/75/1120005675.db2.gz ZKPLJUIWRTXUNK-KRWDZBQOSA-N 0 1 283.419 3.970 20 0 CHADMN CCN(Cc1ccc(C)nn1)[C@@H](C)c1ccc(F)cc1 ZINC000414373723 1120005857 /nfs/dbraw/zinc/00/58/57/1120005857.db2.gz SOJRPZTYHOVZDH-ZDUSSCGKSA-N 0 1 273.355 3.507 20 0 CHADMN CCc1ncc(CN2CCC[C@H]2c2ccc(C)s2)cn1 ZINC000414379528 1120009119 /nfs/dbraw/zinc/00/91/19/1120009119.db2.gz GZZSSIKXLUGUBS-AWEZNQCLSA-N 0 1 287.432 3.746 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)Nc1cscc1Cl ZINC000636439418 1120009158 /nfs/dbraw/zinc/00/91/58/1120009158.db2.gz JRZVMTKQAAXRAZ-UHFFFAOYSA-N 0 1 269.757 3.500 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1cn(C(C)C)nn1)c1ccccc1 ZINC000924581695 1120010253 /nfs/dbraw/zinc/01/02/53/1120010253.db2.gz UDGCXLPVJRQAGH-WMLDXEAASA-N 0 1 286.423 3.907 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)NCc2cc(C)oc2C)c1 ZINC000163350127 1120012724 /nfs/dbraw/zinc/01/27/24/1120012724.db2.gz IEDFHPCKGYEBNU-GFCCVEGCSA-N 0 1 286.375 3.706 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCCC(F)(F)CC1 ZINC000624521024 1120020799 /nfs/dbraw/zinc/02/07/99/1120020799.db2.gz MXKGMCIJVGSPSD-UHFFFAOYSA-N 0 1 280.293 4.000 20 0 CHADMN CCSc1cc(CN[C@@H](C)c2ccoc2)ccn1 ZINC000187797095 1120037666 /nfs/dbraw/zinc/03/76/66/1120037666.db2.gz BTCOQSMAHMEUBW-NSHDSACASA-N 0 1 262.378 3.637 20 0 CHADMN Cc1ccc(S(=O)(=O)Nc2cccc(F)c2)c(Cl)c1 ZINC000025365264 1120038673 /nfs/dbraw/zinc/03/86/73/1120038673.db2.gz BQXXHXHWKMJWSU-UHFFFAOYSA-N 0 1 299.754 3.588 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CN1CC(=O)Nc1ccccc1 ZINC000115556215 1120042631 /nfs/dbraw/zinc/04/26/31/1120042631.db2.gz VDOVKRRRIFLGJV-DOTOQJQBSA-N 0 1 294.398 3.503 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1NCc1noc2c1CCCC2 ZINC000189493713 1120056911 /nfs/dbraw/zinc/05/69/11/1120056911.db2.gz ITJPBRATTJZJEZ-XJKSGUPXSA-N 0 1 294.464 3.707 20 0 CHADMN CC=C(C)C(=O)Nc1ccc(-c2nc(C)c(C)[nH]2)cc1 ZINC000921660105 1120058632 /nfs/dbraw/zinc/05/86/32/1120058632.db2.gz JTOIDHROSIZMIY-BJMVGYQFSA-N 0 1 269.348 3.598 20 0 CHADMN CC1(C)CC2(CC(N[C@H](CF)c3ccc(F)cc3)C2)CO1 ZINC000926811349 1120060978 /nfs/dbraw/zinc/06/09/78/1120060978.db2.gz YYCIWBHNMBVGFS-ISXOHVOVSA-N 0 1 295.373 3.774 20 0 CHADMN CC1(C)CC2(CC(N[C@@H](CF)c3ccc(F)cc3)C2)CO1 ZINC000926811341 1120061200 /nfs/dbraw/zinc/06/12/00/1120061200.db2.gz YYCIWBHNMBVGFS-CKDBGZEDSA-N 0 1 295.373 3.774 20 0 CHADMN Cc1cccc2nc(CCC(=O)Nc3ccc(F)cc3)[nH]c21 ZINC000178848847 1120086562 /nfs/dbraw/zinc/08/65/62/1120086562.db2.gz XLAXGOOPWVWJSK-UHFFFAOYSA-N 0 1 297.333 3.582 20 0 CHADMN CC(C)C[C@H]1CCCCC[N@H+]1CCCCC(=O)[O-] ZINC000181567507 1128889391 /nfs/dbraw/zinc/88/93/91/1128889391.db2.gz PEIJICQELPKKID-CQSZACIVSA-N 0 1 255.402 3.532 20 0 CHADMN CC(C)(C)c1ccc(CNCc2ccncc2F)cc1 ZINC000449107341 1128890469 /nfs/dbraw/zinc/89/04/69/1128890469.db2.gz PKZWEQGQCXOYIO-UHFFFAOYSA-N 0 1 272.367 3.808 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H]2CCC3(CCCC3)O2)c(C)s1 ZINC000655851805 1120105011 /nfs/dbraw/zinc/10/50/11/1120105011.db2.gz HJUJFTVQHFGUIW-BXUZGUMPSA-N 0 1 294.464 3.902 20 0 CHADMN Cc1occc1CN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000414565164 1120107048 /nfs/dbraw/zinc/10/70/48/1120107048.db2.gz WDACCHHRTXFLON-GOSISDBHSA-N 0 1 297.398 3.942 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@@H]1CCCC(F)(F)C1 ZINC000282296215 1120107941 /nfs/dbraw/zinc/10/79/41/1120107941.db2.gz FYOLEAHOMMUTGI-MRVPVSSYSA-N 0 1 289.709 3.810 20 0 CHADMN COc1ccc2c(c1)[C@@H](NC/C=C\Cl)CCS2 ZINC000903443084 1120108191 /nfs/dbraw/zinc/10/81/91/1120108191.db2.gz BGFHGEMUFWBVQW-DWMUBGRBSA-N 0 1 269.797 3.574 20 0 CHADMN Cc1cc(Nc2cc(Cl)ccc2N)c2ccccc2n1 ZINC001212425007 1120108302 /nfs/dbraw/zinc/10/83/02/1120108302.db2.gz OBYBQUPFOFZNGN-UHFFFAOYSA-N 0 1 283.762 3.944 20 0 CHADMN CC[N@@H+](CCC1=CCCCC1)C1CCC(C(=O)[O-])CC1 ZINC000659792001 1120111323 /nfs/dbraw/zinc/11/13/23/1120111323.db2.gz MOVSHPKWVATRBX-UHFFFAOYSA-N 0 1 279.424 3.842 20 0 CHADMN CCCCC[C@H]1CCCC[N@H+]1Cc1nc(C(=O)[O-])cs1 ZINC000659803068 1120113053 /nfs/dbraw/zinc/11/30/53/1120113053.db2.gz AXZSWWDWVVCWEM-LBPRGKRZSA-N 0 1 296.436 3.776 20 0 CHADMN Cc1cc(CN(C(C)C)[C@H](C)c2ccccc2)nn1C ZINC000428834291 1120113112 /nfs/dbraw/zinc/11/31/12/1120113112.db2.gz MARYFCJQXHBMSV-OAHLLOKOSA-N 0 1 271.408 3.700 20 0 CHADMN O=C([O-])c1occc1C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000659804405 1120114576 /nfs/dbraw/zinc/11/45/76/1120114576.db2.gz YTZYXTZCKSNKFG-CQSZACIVSA-N 0 1 277.364 3.523 20 0 CHADMN CCCCC[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000659804168 1120114679 /nfs/dbraw/zinc/11/46/79/1120114679.db2.gz USNURVLRQROVTO-CYBMUJFWSA-N 0 1 279.380 3.913 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C(C2CCC2)C2CCC2)n1 ZINC000414617738 1120116852 /nfs/dbraw/zinc/11/68/52/1120116852.db2.gz LREOAXMYRRCLBJ-CYBMUJFWSA-N 0 1 277.412 3.799 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1ccncc1F ZINC000449180221 1128891489 /nfs/dbraw/zinc/89/14/89/1128891489.db2.gz YXSPXNJIMCEQFA-DIFFPNOSSA-N 0 1 288.341 3.773 20 0 CHADMN O=C(CC1CCC(F)(F)CC1)Nc1ccc2nc[nH]c2c1 ZINC000624736329 1120120757 /nfs/dbraw/zinc/12/07/57/1120120757.db2.gz ZIYCMPTTXKEMHG-UHFFFAOYSA-N 0 1 293.317 3.717 20 0 CHADMN CS[C@@H]1CC[C@H](N(C)Cc2csc(C(C)C)n2)C1 ZINC001116445334 1120122244 /nfs/dbraw/zinc/12/22/44/1120122244.db2.gz QTAXVDQUZUPSEY-QWHCGFSZSA-N 0 1 284.494 3.982 20 0 CHADMN C[C@@H]1[C@H](C)SCCN1C/C=C\c1ccc(F)cc1F ZINC000542702717 1120123276 /nfs/dbraw/zinc/12/32/76/1120123276.db2.gz RAQNKNQLTMWDFG-BKGLOODYSA-N 0 1 283.387 3.804 20 0 CHADMN CC[C@@H]1CN(C/C=C\c2ccc(F)cc2F)CCS1 ZINC000542702769 1120123806 /nfs/dbraw/zinc/12/38/06/1120123806.db2.gz STCWWAGPAVBOGG-VQTKUKTRSA-N 0 1 283.387 3.805 20 0 CHADMN N#C[C@H](C(=O)C1CCCCCC1)c1cnc2ccccc2n1 ZINC000190935249 1128891851 /nfs/dbraw/zinc/89/18/51/1128891851.db2.gz WRKKQFPPCDVQPO-AWEZNQCLSA-N 0 1 293.370 3.776 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2NCc1cccc(F)c1F ZINC000107712248 1120126181 /nfs/dbraw/zinc/12/61/81/1120126181.db2.gz UMKWFBPDBWKVHU-HNNXBMFYSA-N 0 1 277.289 3.881 20 0 CHADMN CCCN(CCC)Cc1c(F)c(F)ccc1OCC ZINC001143485550 1120129110 /nfs/dbraw/zinc/12/91/10/1120129110.db2.gz BTDODEVMSYXBMP-UHFFFAOYSA-N 0 1 271.351 3.986 20 0 CHADMN CCc1ccccc1CN(C)Cc1scnc1C ZINC000188996447 1120139542 /nfs/dbraw/zinc/13/95/42/1120139542.db2.gz JIZJRVBWLFJZJI-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN CCOC[C@H]1CCCN(Cc2cc(F)ccc2Cl)C1 ZINC000189011647 1120139628 /nfs/dbraw/zinc/13/96/28/1120139628.db2.gz RUZWCYWDTUFORN-LBPRGKRZSA-N 0 1 285.790 3.728 20 0 CHADMN CC[C@H](CC(F)F)CN1CCO[C@H](c2ccccc2)C1 ZINC000659835231 1120140516 /nfs/dbraw/zinc/14/05/16/1120140516.db2.gz APHVNPITBDYGGG-HIFRSBDPSA-N 0 1 283.362 3.741 20 0 CHADMN COc1cc(CN(Cc2ccccc2)C(C)C)sn1 ZINC000659835845 1120142355 /nfs/dbraw/zinc/14/23/55/1120142355.db2.gz QHNRMPXCAHOEGF-UHFFFAOYSA-N 0 1 276.405 3.562 20 0 CHADMN CCc1nc([C@@H](C)N(CC)Cc2ccccc2Cl)n[nH]1 ZINC000659837314 1120145059 /nfs/dbraw/zinc/14/50/59/1120145059.db2.gz ZRHCLDAHIUDUJD-LLVKDONJSA-N 0 1 292.814 3.604 20 0 CHADMN COCCCC[C@@H](N[C@@H](C)c1ncc[nH]1)c1ccccc1 ZINC000353600572 1120145185 /nfs/dbraw/zinc/14/51/85/1120145185.db2.gz YNJJCUUKWJXMHL-GOEBONIOSA-N 0 1 287.407 3.618 20 0 CHADMN Cc1ccc(CNCc2ccc(Cl)cc2C)nc1C ZINC000313851935 1120153873 /nfs/dbraw/zinc/15/38/73/1120153873.db2.gz SMXJCQFYUZMHRG-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN C[C@@H](NC[C@H]1CCCS1)c1nc(C(F)(F)F)cs1 ZINC000343842837 1120160542 /nfs/dbraw/zinc/16/05/42/1120160542.db2.gz RWTDSXNATVIXDP-HTQZYQBOSA-N 0 1 296.383 3.708 20 0 CHADMN C[C@H](c1nc(C2(C)CCCC2)no1)N1[C@H](C)CC[C@H]1C ZINC000624758435 1120165532 /nfs/dbraw/zinc/16/55/32/1120165532.db2.gz OWIWTNCWLXKVPJ-JHJVBQTASA-N 0 1 277.412 3.835 20 0 CHADMN CCc1cc(CCCN2CC[C@H]2c2ccc(F)cc2)on1 ZINC000661514106 1120170404 /nfs/dbraw/zinc/17/04/04/1120170404.db2.gz PJVUFCOEZWJUMG-KRWDZBQOSA-N 0 1 288.366 3.756 20 0 CHADMN CCc1nc([C@H](C)N(C)Cc2cccc3ccccc32)n[nH]1 ZINC000659846431 1120178151 /nfs/dbraw/zinc/17/81/51/1120178151.db2.gz UNKOKOHIJDFLBG-ZDUSSCGKSA-N 0 1 294.402 3.713 20 0 CHADMN Cn1cc(C(C)(C)NCc2ccc(C(F)F)c(F)c2)cn1 ZINC000892965939 1120184135 /nfs/dbraw/zinc/18/41/35/1120184135.db2.gz PCLDMXDCBDQRKB-UHFFFAOYSA-N 0 1 297.324 3.522 20 0 CHADMN CC(C)c1ccccc1OCCNCc1nccn1C1CC1 ZINC000892977525 1120187612 /nfs/dbraw/zinc/18/76/12/1120187612.db2.gz QBUWONHWSGSEKG-UHFFFAOYSA-N 0 1 299.418 3.510 20 0 CHADMN CCN(Cc1cc(C)nc(C)n1)[C@@H](C)c1ccc(F)cc1 ZINC000659852870 1120194210 /nfs/dbraw/zinc/19/42/10/1120194210.db2.gz NXLHHYZLLKITNW-ZDUSSCGKSA-N 0 1 287.382 3.816 20 0 CHADMN COc1cccc(CN[C@H](C)c2cccc(C)c2)c1F ZINC000165883021 1120204343 /nfs/dbraw/zinc/20/43/43/1120204343.db2.gz UTCJSSCAPUXYCM-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN CCc1ccccc1CNCc1c(Cl)n[nH]c1C1CC1 ZINC000921769770 1120206483 /nfs/dbraw/zinc/20/64/83/1120206483.db2.gz MJJJRCQIIACOLN-UHFFFAOYSA-N 0 1 289.810 3.793 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1NCc1ncoc1C(C)C ZINC001116743796 1120206511 /nfs/dbraw/zinc/20/65/11/1120206511.db2.gz YPNTWIOIQLLLQT-TZMCWYRMSA-N 0 1 282.453 3.952 20 0 CHADMN CCOc1cc(Cl)ccc1CNCc1cnccc1C ZINC000354461478 1120209326 /nfs/dbraw/zinc/20/93/26/1120209326.db2.gz IOSLVXNLTPCLDU-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN CC[C@@H](NCc1ccc(O)cc1)c1ccccc1F ZINC000166043730 1120215655 /nfs/dbraw/zinc/21/56/55/1120215655.db2.gz VHNGPRZSQUZKJC-MRXNPFEDSA-N 0 1 259.324 3.772 20 0 CHADMN CSc1ccc(F)cc1CNCc1cnc(F)cc1C ZINC000893085279 1120217777 /nfs/dbraw/zinc/21/77/77/1120217777.db2.gz GIPZEVRDDGIQHE-UHFFFAOYSA-N 0 1 294.370 3.680 20 0 CHADMN C[C@H]1CC(N2CC[C@@H]2N(C)C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001258170530 1128899286 /nfs/dbraw/zinc/89/92/86/1128899286.db2.gz KRFZYNXFOBNRNM-UMVBOHGHSA-N 0 1 296.455 3.710 20 0 CHADMN CCC[N@@H+](Cc1csc([C@@H](C)OCC)n1)C(C)C ZINC000584538568 1120219232 /nfs/dbraw/zinc/21/92/32/1120219232.db2.gz VEHZPRFJYXTTSD-GFCCVEGCSA-N 0 1 270.442 3.861 20 0 CHADMN CCCN(Cc1csc([C@@H](C)OCC)n1)C(C)C ZINC000584538568 1120219236 /nfs/dbraw/zinc/21/92/36/1120219236.db2.gz VEHZPRFJYXTTSD-GFCCVEGCSA-N 0 1 270.442 3.861 20 0 CHADMN CC[C@H](C)[C@H](CNCc1nc(C(C)(C)C)cs1)OC ZINC000394460675 1120219942 /nfs/dbraw/zinc/21/99/42/1120219942.db2.gz UTOJBISJSPYMMM-RYUDHWBXSA-N 0 1 284.469 3.591 20 0 CHADMN CCC(CC)(CNCc1nnc(C)s1)c1ccccc1 ZINC000893093106 1120220089 /nfs/dbraw/zinc/22/00/89/1120220089.db2.gz UYPTWBJIPKAKOM-UHFFFAOYSA-N 0 1 289.448 3.694 20 0 CHADMN CCO[C@H](CCNCc1nc(C(C)(C)C)co1)C(C)C ZINC000921806571 1120221268 /nfs/dbraw/zinc/22/12/68/1120221268.db2.gz PQTKFIWPYHKNJR-CYBMUJFWSA-N 0 1 282.428 3.513 20 0 CHADMN CCc1cccc(C)c1NC(=O)Cc1n[nH]c2ccccc12 ZINC000177734248 1120222005 /nfs/dbraw/zinc/22/20/05/1120222005.db2.gz JQDNIEXZTRJLPS-UHFFFAOYSA-N 0 1 293.370 3.615 20 0 CHADMN Cc1cc([C@H](C)NCc2cnn(C3CCC3)c2)ccc1F ZINC000921821029 1120229870 /nfs/dbraw/zinc/22/98/70/1120229870.db2.gz NAHPJJLKDRWRHF-ZDUSSCGKSA-N 0 1 287.382 3.906 20 0 CHADMN CC(C)(C)c1ccccc1S(=O)(=O)Nc1ccsc1 ZINC000462105573 1120230094 /nfs/dbraw/zinc/23/00/94/1120230094.db2.gz UYTOJGVBJUUJPX-UHFFFAOYSA-N 0 1 295.429 3.846 20 0 CHADMN Cc1cccn2cc(CN(C)[C@@H](C)c3ccccc3)nc12 ZINC000061801373 1120230267 /nfs/dbraw/zinc/23/02/67/1120230267.db2.gz KXCCUFIMXIKOFT-HNNXBMFYSA-N 0 1 279.387 3.836 20 0 CHADMN O=C([O-])C[N@@H+](CCC1CCCCCC1)Cc1ccccc1 ZINC000656190489 1120236484 /nfs/dbraw/zinc/23/64/84/1120236484.db2.gz FRXBRZSYBDCQCP-UHFFFAOYSA-N 0 1 289.419 3.934 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@H](C)c2ccnc(Cl)c2)cn1 ZINC000765943518 1120236703 /nfs/dbraw/zinc/23/67/03/1120236703.db2.gz DDHROTVFECWIMG-NEPJUHHUSA-N 0 1 292.814 3.924 20 0 CHADMN C[C@H](NC/C=C\c1ccncc1)c1cccc(F)c1F ZINC000487532661 1120237416 /nfs/dbraw/zinc/23/74/16/1120237416.db2.gz CONVXWFFCBASFO-MVZIDQBPSA-N 0 1 274.314 3.724 20 0 CHADMN CC[C@H](Cc1nc([C@@H](N)C(C)C)no1)c1ccc(C)cc1 ZINC000843148920 1120246322 /nfs/dbraw/zinc/24/63/22/1120246322.db2.gz FUZDKICBGKIKPW-CJNGLKHVSA-N 0 1 287.407 3.770 20 0 CHADMN CC(C)[C@@H](N)c1noc(C(C)(C)c2ccc(Cl)cc2)n1 ZINC000843148903 1120246608 /nfs/dbraw/zinc/24/66/08/1120246608.db2.gz YXJPVKHZRVYNBP-GFCCVEGCSA-N 0 1 293.798 3.705 20 0 CHADMN CC(C)[C@@H](N)c1noc(Cc2csc3ccccc23)n1 ZINC000843148849 1120248781 /nfs/dbraw/zinc/24/87/81/1120248781.db2.gz YGADPDGWZUUHFS-CQSZACIVSA-N 0 1 287.388 3.531 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)N(C)CC(C)C)n2)ccc1F ZINC000620937680 1120250416 /nfs/dbraw/zinc/25/04/16/1120250416.db2.gz HEOMEOUXFWTMDW-GFCCVEGCSA-N 0 1 291.370 3.833 20 0 CHADMN Cc1ccccc1Cc1noc(CN2CCCC[C@@H](C)C2)n1 ZINC000187934257 1120251457 /nfs/dbraw/zinc/25/14/57/1120251457.db2.gz DJKMBQKMCVWKMP-CQSZACIVSA-N 0 1 299.418 3.591 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H](C)c2cccc(Cl)c2)n1 ZINC000843149934 1120251915 /nfs/dbraw/zinc/25/19/15/1120251915.db2.gz QRPSWKQBZBSZPB-CABZTGNLSA-N 0 1 279.771 3.531 20 0 CHADMN C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCCC[C@H](C)C1 ZINC000187966435 1120254300 /nfs/dbraw/zinc/25/43/00/1120254300.db2.gz UWNKQZWGVYHMRN-STQMWFEESA-N 0 1 294.826 3.789 20 0 CHADMN C[C@@H](C(=O)Nc1ccccc1Cl)N1CCCC[C@H](C)C1 ZINC000187966435 1120254304 /nfs/dbraw/zinc/25/43/04/1120254304.db2.gz UWNKQZWGVYHMRN-STQMWFEESA-N 0 1 294.826 3.789 20 0 CHADMN CC(C)[C@H](N)c1noc([C@H](C)Cc2ccccc2Cl)n1 ZINC000843150900 1120254715 /nfs/dbraw/zinc/25/47/15/1120254715.db2.gz WKQUCPZEIJHTFR-MFKMUULPSA-N 0 1 293.798 3.725 20 0 CHADMN COc1ccc(CNCc2nccc3c2CCCC3)c(C)c1 ZINC000921857474 1120255010 /nfs/dbraw/zinc/25/50/10/1120255010.db2.gz UNDMFCABMVYMRO-UHFFFAOYSA-N 0 1 296.414 3.567 20 0 CHADMN CC/C(=C/c1nc([C@@H](N)C(C)C)no1)c1ccc(C)cc1 ZINC000843151669 1120256682 /nfs/dbraw/zinc/25/66/82/1120256682.db2.gz GIPAZKHLEORQOA-DDKJEQMHSA-N 0 1 285.391 3.984 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2sc3ccccc3c2Cl)C[C@@H]1O ZINC000221449102 1120264990 /nfs/dbraw/zinc/26/49/90/1120264990.db2.gz CXMUHVYNQFDVNX-JQWIXIFHSA-N 0 1 295.835 3.757 20 0 CHADMN C[C@H]1CCN(Cc2sc3ccccc3c2Cl)C[C@@H]1O ZINC000221449102 1120264993 /nfs/dbraw/zinc/26/49/93/1120264993.db2.gz CXMUHVYNQFDVNX-JQWIXIFHSA-N 0 1 295.835 3.757 20 0 CHADMN CCCC[C@H]1CCC[C@@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC000075708670 1120265324 /nfs/dbraw/zinc/26/53/24/1120265324.db2.gz VQIXQVIITYKEJC-ZFWWWQNUSA-N 0 1 299.418 3.581 20 0 CHADMN Brc1ccccc1CN1C2CCC1CC2 ZINC000307182825 1120278428 /nfs/dbraw/zinc/27/84/28/1120278428.db2.gz OMDDUAOSQGJKLH-UHFFFAOYSA-N 0 1 266.182 3.576 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CC[C@H](C)[C@@H](C)C1 ZINC000228202437 1120280920 /nfs/dbraw/zinc/28/09/20/1120280920.db2.gz HNRCLGRVOGANAP-KBPBESRZSA-N 0 1 289.419 3.766 20 0 CHADMN COc1cc(Nc2cc(F)c(O)c(Cl)c2)ncc1C ZINC001214486546 1120285997 /nfs/dbraw/zinc/28/59/97/1120285997.db2.gz MJWQBANLSORVSQ-UHFFFAOYSA-N 0 1 282.702 3.640 20 0 CHADMN Cc1ccc(CNc2ccc(CN(C)C)c(Cl)c2)cn1 ZINC000355607047 1120286373 /nfs/dbraw/zinc/28/63/73/1120286373.db2.gz MGDWWVFVIYTOGN-UHFFFAOYSA-N 0 1 289.810 3.717 20 0 CHADMN C[C@@H]1SCC[C@H]1N[C@@H](c1ccccc1)c1ccccn1 ZINC000313284167 1120293449 /nfs/dbraw/zinc/29/34/49/1120293449.db2.gz DOACKJJBTWOHSK-LXZKKBNFSA-N 0 1 284.428 3.655 20 0 CHADMN C[C@@H]1SCC[C@H]1N[C@H](c1ccccc1)c1ccccn1 ZINC000313284177 1120293736 /nfs/dbraw/zinc/29/37/36/1120293736.db2.gz DOACKJJBTWOHSK-YSVLISHTSA-N 0 1 284.428 3.655 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2ccc[nH]2)c1Br ZINC000921939654 1120294955 /nfs/dbraw/zinc/29/49/55/1120294955.db2.gz VHDOJVJATSEMFJ-NSHDSACASA-N 0 1 293.208 3.936 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN(C)CC1CC1 ZINC000076747520 1120295613 /nfs/dbraw/zinc/29/56/13/1120295613.db2.gz KUJCWAWACQJHDD-UHFFFAOYSA-N 0 1 262.378 3.553 20 0 CHADMN C[C@@H](CCC1CC1)[NH2+]Cc1cccc([O-])c1Cl ZINC000398165494 1120301982 /nfs/dbraw/zinc/30/19/82/1120301982.db2.gz MLKIXICELFVZQH-JTQLQIEISA-N 0 1 253.773 3.714 20 0 CHADMN O=C1[C@@H]2CCCCC2=NN1c1ccc(Cl)cc1Cl ZINC000104708887 1120304617 /nfs/dbraw/zinc/30/46/17/1120304617.db2.gz WVLXYHKZTUPYRD-SECBINFHSA-N 0 1 283.158 3.886 20 0 CHADMN O=c1c2c([nH]n1-c1ccc(Cl)cc1Cl)CCCC2 ZINC000104708887 1120304620 /nfs/dbraw/zinc/30/46/20/1120304620.db2.gz WVLXYHKZTUPYRD-SECBINFHSA-N 0 1 283.158 3.886 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccccc3)[C@H](C)C2)c(C)o1 ZINC000659955700 1120308221 /nfs/dbraw/zinc/30/82/21/1120308221.db2.gz MHVABVFWTSOJOD-CXAGYDPISA-N 0 1 284.403 3.917 20 0 CHADMN OCc1cc(Nc2ccc(C3CCCC3)cc2)ccn1 ZINC001212456506 1120308766 /nfs/dbraw/zinc/30/87/66/1120308766.db2.gz GJHSBAPLYWSHAT-UHFFFAOYSA-N 0 1 268.360 3.975 20 0 CHADMN CC[C@@H]1CCCN(CC(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000522712838 1120309084 /nfs/dbraw/zinc/30/90/84/1120309084.db2.gz HITFEPMLWKSMOS-CQSZACIVSA-N 0 1 292.398 3.585 20 0 CHADMN Clc1ncsc1CN1CC[C@@H](Cc2ccccc2)C1 ZINC001137822632 1120311011 /nfs/dbraw/zinc/31/10/11/1120311011.db2.gz FYVVEQPZOPOPPA-ZDUSSCGKSA-N 0 1 292.835 3.861 20 0 CHADMN CN1CCCC[C@@H]1C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000672486998 1120313850 /nfs/dbraw/zinc/31/38/50/1120313850.db2.gz NKESHWNUBPDIEN-GOSISDBHSA-N 0 1 294.398 3.776 20 0 CHADMN CCc1nnc(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)o1 ZINC000282321934 1120314979 /nfs/dbraw/zinc/31/49/79/1120314979.db2.gz ABUYKOUVWQWVRD-MUJYYYPQSA-N 0 1 297.402 3.543 20 0 CHADMN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cccc2ccccc21 ZINC000389378602 1120316920 /nfs/dbraw/zinc/31/69/20/1120316920.db2.gz CJLVUQFAPQOIRC-SZMVWBNQSA-N 0 1 295.382 3.525 20 0 CHADMN Clc1scc(CNC[C@@H]2CCCCO2)c1Cl ZINC000309545722 1120322457 /nfs/dbraw/zinc/32/24/57/1120322457.db2.gz ZSYZYZWVQBYDHO-VIFPVBQESA-N 0 1 280.220 3.714 20 0 CHADMN CCC(CC)(CC)[NH2+]Cc1cc(=O)oc2cc([O-])ccc12 ZINC000182677695 1120325647 /nfs/dbraw/zinc/32/56/47/1120325647.db2.gz WRZYOPLWFKMMPX-UHFFFAOYSA-N 0 1 289.375 3.557 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)C1 ZINC000629375788 1128908941 /nfs/dbraw/zinc/90/89/41/1128908941.db2.gz BAFIWVGQGKAZHS-NRKLIOEPSA-N 0 1 293.451 3.778 20 0 CHADMN C/C=C/C[C@H]1CCC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000629376097 1128908984 /nfs/dbraw/zinc/90/89/84/1128908984.db2.gz RKENFBVKIWYBBJ-HSWBROFVSA-N 0 1 273.376 3.563 20 0 CHADMN FC1(F)CCC[C@@H]1N[C@H](Cc1ccccc1)C1CC1 ZINC000672621902 1120336395 /nfs/dbraw/zinc/33/63/95/1120336395.db2.gz NOIMQFSKQARASE-CABCVRRESA-N 0 1 265.347 3.785 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CCCC(F)(F)C1 ZINC000651385684 1120336603 /nfs/dbraw/zinc/33/66/03/1120336603.db2.gz OOQSQPWIZCILLM-UHFFFAOYSA-N 0 1 296.292 3.618 20 0 CHADMN Cc1cncc(CNCc2ccc(C(F)F)c(F)c2)c1 ZINC000893248148 1120338328 /nfs/dbraw/zinc/33/83/28/1120338328.db2.gz GCROIQOTYICCKC-UHFFFAOYSA-N 0 1 280.293 3.757 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])oc2CC)C1 ZINC000629375707 1128909277 /nfs/dbraw/zinc/90/92/77/1128909277.db2.gz MRECHMMOCOOWAI-MASHWEEQSA-N 0 1 291.391 3.718 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)[C@@H]2CCC[C@H]21 ZINC000629374064 1128909367 /nfs/dbraw/zinc/90/93/67/1128909367.db2.gz PDFGNJOHXSHIHL-ARFHVFGLSA-N 0 1 299.370 3.508 20 0 CHADMN CCc1ccc(C)nc1NCc1cc2cccnc2o1 ZINC000656778769 1120340598 /nfs/dbraw/zinc/34/05/98/1120340598.db2.gz LAYJTQYBCLGMAD-UHFFFAOYSA-N 0 1 267.332 3.706 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(F)cc2)C(C)C)nc(C)n1 ZINC000660022706 1120344184 /nfs/dbraw/zinc/34/41/84/1120344184.db2.gz XIMUPQWXJAGSMM-KRWDZBQOSA-N 0 1 287.382 3.719 20 0 CHADMN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)Cc1cn[nH]c1 ZINC000678137899 1120345500 /nfs/dbraw/zinc/34/55/00/1120345500.db2.gz XKRDRLHKCMAQJN-JTQLQIEISA-N 0 1 283.297 3.622 20 0 CHADMN CCc1nocc1CN(C1CC1)[C@H]1CCc2ccccc21 ZINC000660036664 1120348767 /nfs/dbraw/zinc/34/87/67/1120348767.db2.gz SHGLPURKPWNKPA-SFHVURJKSA-N 0 1 282.387 3.889 20 0 CHADMN COCc1ccccc1CNCc1cc(C)ccc1F ZINC000116912836 1120348941 /nfs/dbraw/zinc/34/89/41/1120348941.db2.gz NEVJUZOHNNTOHF-UHFFFAOYSA-N 0 1 273.351 3.570 20 0 CHADMN Oc1ccc([C@@H]2CCCN2Cc2cc(C3CC3)no2)cc1 ZINC000660036071 1120349610 /nfs/dbraw/zinc/34/96/10/1120349610.db2.gz IFZFSRGLQHOHRE-KRWDZBQOSA-N 0 1 284.359 3.595 20 0 CHADMN Cc1nc(C2(NC[C@@H]3C[C@H]4C[C@H]4C3)CCCCCC2)no1 ZINC000660039492 1120350938 /nfs/dbraw/zinc/35/09/38/1120350938.db2.gz LUCSZAGFUJINBJ-QDMKHBRRSA-N 0 1 289.423 3.563 20 0 CHADMN CC[C@@H](C)N(C)Cc1ncc(Br)cc1Cl ZINC000660063247 1120358086 /nfs/dbraw/zinc/35/80/86/1120358086.db2.gz KMCXHEHQVFLNDI-MRVPVSSYSA-N 0 1 291.620 3.728 20 0 CHADMN COc1cc(CN[C@H](c2ccccc2)C2CCCC2)on1 ZINC000660071571 1120361713 /nfs/dbraw/zinc/36/17/13/1120361713.db2.gz TXQZYOKVVTXMKI-QGZVFWFLSA-N 0 1 286.375 3.704 20 0 CHADMN C[C@@H](NCCC(C)(C)C)c1nc(-c2cccc(F)c2)no1 ZINC000185087804 1120370595 /nfs/dbraw/zinc/37/05/95/1120370595.db2.gz WOKNGUUOBRKCOT-LLVKDONJSA-N 0 1 291.370 3.963 20 0 CHADMN Cc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2[nH]1 ZINC000010656998 1120376089 /nfs/dbraw/zinc/37/60/89/1120376089.db2.gz DETHCSKOJINEQK-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN CCc1noc(C)c1CNCc1ccc(CSC)cc1 ZINC000922146345 1120386762 /nfs/dbraw/zinc/38/67/62/1120386762.db2.gz NKMVVRRLVSHREP-UHFFFAOYSA-N 0 1 290.432 3.698 20 0 CHADMN C[N@@H+](CCSc1cccc(Cl)c1)Cc1cccnc1 ZINC000660125768 1120389066 /nfs/dbraw/zinc/38/90/66/1120389066.db2.gz KGOHIWVGFZLADI-UHFFFAOYSA-N 0 1 292.835 3.959 20 0 CHADMN CN(CCSc1cccc(Cl)c1)Cc1cccnc1 ZINC000660125768 1120389076 /nfs/dbraw/zinc/38/90/76/1120389076.db2.gz KGOHIWVGFZLADI-UHFFFAOYSA-N 0 1 292.835 3.959 20 0 CHADMN CC(C)(C)C1=CCN(Cc2cnc3ccccc3n2)CC1 ZINC000660131837 1120390652 /nfs/dbraw/zinc/39/06/52/1120390652.db2.gz NUMYXSGBNXKRHX-UHFFFAOYSA-N 0 1 281.403 3.808 20 0 CHADMN CN(Cc1nncs1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000930723710 1120392533 /nfs/dbraw/zinc/39/25/33/1120392533.db2.gz RMBIJUYCSWSCPJ-GJZGRUSLSA-N 0 1 287.432 3.696 20 0 CHADMN CN(Cc1nncs1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000930723712 1120392837 /nfs/dbraw/zinc/39/28/37/1120392837.db2.gz RMBIJUYCSWSCPJ-LSDHHAIUSA-N 0 1 287.432 3.696 20 0 CHADMN CSc1cccc(CN(Cc2cccnc2)C2CC2)c1 ZINC000660138157 1120392938 /nfs/dbraw/zinc/39/29/38/1120392938.db2.gz PNQXBYPBIXORQX-UHFFFAOYSA-N 0 1 284.428 3.968 20 0 CHADMN CC(C)n1ccnc1CN1CC[C@@H](Cc2ccccc2)C1 ZINC000172851635 1120393364 /nfs/dbraw/zinc/39/33/64/1120393364.db2.gz SAJBMIXWDFVHKA-KRWDZBQOSA-N 0 1 283.419 3.529 20 0 CHADMN FC(F)(F)C1=CCN(CCCc2ccsc2)CC1 ZINC000543062099 1120395908 /nfs/dbraw/zinc/39/59/08/1120395908.db2.gz FNBBULZJMXAIGY-UHFFFAOYSA-N 0 1 275.339 3.875 20 0 CHADMN CCc1ccc(CN[C@H](C)c2c(C)noc2C)s1 ZINC000078679649 1120399311 /nfs/dbraw/zinc/39/93/11/1120399311.db2.gz YVPPSJARFVIWDE-SECBINFHSA-N 0 1 264.394 3.766 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1ccc2ncccc2c1 ZINC000078679898 1120399487 /nfs/dbraw/zinc/39/94/87/1120399487.db2.gz GJOAUXAKIWNJGP-LLVKDONJSA-N 0 1 281.359 3.690 20 0 CHADMN Fc1cc(F)c(CN[C@H]2CCCC23CC3)c(F)c1F ZINC000584666570 1120404401 /nfs/dbraw/zinc/40/44/01/1120404401.db2.gz ZEILPEPDKUOOJP-NSHDSACASA-N 0 1 273.273 3.665 20 0 CHADMN c1ccc(C[C@@H]2C[N@H+]([C@H]3CCc4ccccc43)CCO2)cc1 ZINC000682074581 1120406947 /nfs/dbraw/zinc/40/69/47/1120406947.db2.gz DAEKGEZLOCCDDI-QUCCMNQESA-N 0 1 293.410 3.617 20 0 CHADMN c1ccc(C[C@@H]2CN([C@H]3CCc4ccccc43)CCO2)cc1 ZINC000682074581 1120406950 /nfs/dbraw/zinc/40/69/50/1120406950.db2.gz DAEKGEZLOCCDDI-QUCCMNQESA-N 0 1 293.410 3.617 20 0 CHADMN Fc1cccc2c1CN([C@H]1CCc3ccccc31)CC2 ZINC000682071964 1120409776 /nfs/dbraw/zinc/40/97/76/1120409776.db2.gz LDWQAGXOIZUTNW-SFHVURJKSA-N 0 1 267.347 3.871 20 0 CHADMN CC(C)(CCO)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC001167742086 1120410041 /nfs/dbraw/zinc/41/00/41/1120410041.db2.gz SQYNXSKSCGTXDF-UHFFFAOYSA-N 0 1 295.386 3.803 20 0 CHADMN c1coc(CN(Cc2cccnc2)C[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000660168370 1120411897 /nfs/dbraw/zinc/41/18/97/1120411897.db2.gz NYPKXLMISCWJTE-BJWYYQGGSA-N 0 1 282.387 3.723 20 0 CHADMN c1cc2c(ccnc2-c2ccc3ncsc3c2)[nH]1 ZINC001240340585 1120429198 /nfs/dbraw/zinc/42/91/98/1120429198.db2.gz CKBHUAVPEOTMJR-UHFFFAOYSA-N 0 1 251.314 3.840 20 0 CHADMN C[C@@H](N[C@@H](C)CC1CCC1)c1nc(Cc2ccccc2)no1 ZINC000682998472 1120433277 /nfs/dbraw/zinc/43/32/77/1120433277.db2.gz CVQCKEPNUHQEAG-UONOGXRCSA-N 0 1 299.418 3.890 20 0 CHADMN c1ccc2c(c1)COC[C@H]2N[C@@H](c1cccnc1)C1CCC1 ZINC000417371144 1120440133 /nfs/dbraw/zinc/44/01/33/1120440133.db2.gz VDNKMHUMCOSWLQ-RTBURBONSA-N 0 1 294.398 3.784 20 0 CHADMN C[N@H+]1CCCC[C@@H]1CCOc1ccc2ccccc2c1C=O ZINC000318991690 1120441661 /nfs/dbraw/zinc/44/16/61/1120441661.db2.gz SBQPSVNWYMRFPP-MRXNPFEDSA-N 0 1 297.398 3.906 20 0 CHADMN CC(C)[C@H](NCCCC1CCC1)c1nc(C2CC2)no1 ZINC000660207438 1120443468 /nfs/dbraw/zinc/44/34/68/1120443468.db2.gz CXYVOYGJOQKNGV-AWEZNQCLSA-N 0 1 277.412 3.814 20 0 CHADMN CCc1nocc1CN[C@@H](c1ccccc1C)C1CC1 ZINC000660211068 1120444337 /nfs/dbraw/zinc/44/43/37/1120444337.db2.gz NKCBWACVYSQVHB-QGZVFWFLSA-N 0 1 270.376 3.786 20 0 CHADMN Cc1nc(C[N@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)[nH]c1C ZINC000628298036 1120446673 /nfs/dbraw/zinc/44/66/73/1120446673.db2.gz SMHYHXRWCNITNG-ISTRZQFTSA-N 0 1 283.419 3.793 20 0 CHADMN CCc1nc([C@H](C)NCc2cccc(C3CCCC3)c2)n[nH]1 ZINC000657420445 1120452077 /nfs/dbraw/zinc/45/20/77/1120452077.db2.gz PSXQMFAAGMELNI-ZDUSSCGKSA-N 0 1 298.434 3.876 20 0 CHADMN CC(C)C[C@H](C)CC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000067900722 1120456249 /nfs/dbraw/zinc/45/62/49/1120456249.db2.gz ZOKYEAMOWIEIDX-KBPBESRZSA-N 0 1 296.480 3.539 20 0 CHADMN CSc1cccc(CN2CCC[C@H](OC(F)F)C2)c1 ZINC000660235084 1120456318 /nfs/dbraw/zinc/45/63/18/1120456318.db2.gz NEIDWVOWLJWICE-LBPRGKRZSA-N 0 1 287.375 3.612 20 0 CHADMN Fc1cc(C2CC2)ccc1CN[C@H]1CCCc2n[nH]cc21 ZINC000425952410 1120464874 /nfs/dbraw/zinc/46/48/74/1120464874.db2.gz SOEFFMKEYPOWMJ-INIZCTEOSA-N 0 1 285.366 3.593 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N(CC1CC1)C1CCCCC1 ZINC000068159154 1120466562 /nfs/dbraw/zinc/46/65/62/1120466562.db2.gz GMVJQCCSGWAUBY-UHFFFAOYSA-N 0 1 297.402 3.748 20 0 CHADMN Cc1cccc([C@H]2CCN(Cc3cn4ccsc4n3)C2)c1 ZINC000543245103 1120473672 /nfs/dbraw/zinc/47/36/72/1120473672.db2.gz BTFVHPLZQUWERL-HNNXBMFYSA-N 0 1 297.427 3.694 20 0 CHADMN CC(C)(C)c1coc(CNCC2CCC(F)CC2)n1 ZINC000922216771 1120474154 /nfs/dbraw/zinc/47/41/54/1120474154.db2.gz ZRDQHIRTWJANGQ-UHFFFAOYSA-N 0 1 268.376 3.590 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1nc(C)cs1)C1CCCCC1 ZINC000660266149 1120474242 /nfs/dbraw/zinc/47/42/42/1120474242.db2.gz NRTDGWSIFITTBP-JSGCOSHPSA-N 0 1 282.453 3.697 20 0 CHADMN Cc1cc(CN(Cc2cccc(Cl)c2)C(C)C)n(C)n1 ZINC000417707958 1120475563 /nfs/dbraw/zinc/47/55/63/1120475563.db2.gz BJXSXOZUGGQVGY-UHFFFAOYSA-N 0 1 291.826 3.793 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(F)nc2)cc1F ZINC000189143040 1120475668 /nfs/dbraw/zinc/47/56/68/1120475668.db2.gz ZUHIZAREQTUKTQ-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN CCc1cccc(CNCc2cc(C)cnc2Cl)c1 ZINC000922221987 1120476549 /nfs/dbraw/zinc/47/65/49/1120476549.db2.gz MIUDTGOVGXEWFQ-UHFFFAOYSA-N 0 1 274.795 3.896 20 0 CHADMN CCn1nccc1CN1CCCC[C@H]1c1ccccc1 ZINC000358277561 1120476794 /nfs/dbraw/zinc/47/67/94/1120476794.db2.gz KSSASDVPGHEMJD-KRWDZBQOSA-N 0 1 269.392 3.630 20 0 CHADMN C[C@@H](NC[C@@H]1C[C@H]2C[C@H]2C1)c1nc(C2CCCCC2)no1 ZINC000660274637 1120478087 /nfs/dbraw/zinc/47/80/87/1120478087.db2.gz VORZGTQYCNYQSQ-RJZRQDKASA-N 0 1 289.423 3.814 20 0 CHADMN CCn1cncc1CN1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000417776700 1120479244 /nfs/dbraw/zinc/47/92/44/1120479244.db2.gz BFMIPDSFUDRWLR-CJNGLKHVSA-N 0 1 287.407 3.778 20 0 CHADMN C[C@@H](NCc1ccc(Br)o1)c1ccccc1 ZINC000019878096 1120484183 /nfs/dbraw/zinc/48/41/83/1120484183.db2.gz YYXVMUUFHKGBNT-SNVBAGLBSA-N 0 1 280.165 3.893 20 0 CHADMN CCc1ncc(CNCc2cc(Cl)cc(Cl)c2)cn1 ZINC000657525275 1120487467 /nfs/dbraw/zinc/48/74/67/1120487467.db2.gz XALWYMXBUZNZSK-UHFFFAOYSA-N 0 1 296.201 3.636 20 0 CHADMN CC1(C)C[C@H](NCc2nc3cc(Cl)ccc3s2)CO1 ZINC000417874508 1120487452 /nfs/dbraw/zinc/48/74/52/1120487452.db2.gz KRFNFCZOFUPFGB-JTQLQIEISA-N 0 1 296.823 3.607 20 0 CHADMN Fc1ccc([C@@H]2CCN2CCSc2ccncc2)cc1 ZINC000930968394 1120491557 /nfs/dbraw/zinc/49/15/57/1120491557.db2.gz BHDOPLYVUNWZPS-INIZCTEOSA-N 0 1 288.391 3.760 20 0 CHADMN F[C@@H]1CCCCN([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168720437 1120498116 /nfs/dbraw/zinc/49/81/16/1120498116.db2.gz JDDVRNHBEAFAMF-CHWSQXEVSA-N 0 1 267.775 3.631 20 0 CHADMN F[C@H]1CCCCN([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168720440 1120498386 /nfs/dbraw/zinc/49/83/86/1120498386.db2.gz JDDVRNHBEAFAMF-STQMWFEESA-N 0 1 267.775 3.631 20 0 CHADMN C[C@H](N[C@@H](C)c1coc2ccccc12)c1cn[nH]c1 ZINC000925634865 1120499611 /nfs/dbraw/zinc/49/96/11/1120499611.db2.gz MCQCXVCLCASJPV-QWRGUYRKSA-N 0 1 255.321 3.568 20 0 CHADMN COc1ccc2ccccc2c1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000511649913 1120500995 /nfs/dbraw/zinc/50/09/95/1120500995.db2.gz QQCVPZCCBSPYRN-MRXNPFEDSA-N 0 1 299.414 3.849 20 0 CHADMN C[C@@]1(F)CCCN([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168721720 1120501742 /nfs/dbraw/zinc/50/17/42/1120501742.db2.gz RQKVDZXJSYWWCM-IUODEOHRSA-N 0 1 267.775 3.631 20 0 CHADMN C[C@@H](CN1C[C@H]2CC[C@@H](C1)O2)c1ccc(C(F)(F)F)cc1 ZINC000500073892 1120503735 /nfs/dbraw/zinc/50/37/35/1120503735.db2.gz JJSMJUQJMMPMGW-TUKIKUTGSA-N 0 1 299.336 3.672 20 0 CHADMN CCc1ncc(CNCc2ccc(Cl)c(Cl)c2)cn1 ZINC000657659544 1120507476 /nfs/dbraw/zinc/50/74/76/1120507476.db2.gz LQQUGQOJBKPDRG-UHFFFAOYSA-N 0 1 296.201 3.636 20 0 CHADMN CC(C)[C@H](C)CN[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000543402272 1120510028 /nfs/dbraw/zinc/51/00/28/1120510028.db2.gz HEVMWAVIOSKMAF-DYVFJYSZSA-N 0 1 287.382 3.587 20 0 CHADMN Cc1cccc(CN[C@H]2CCc3ccc(O)cc32)c1F ZINC000657694958 1120510767 /nfs/dbraw/zinc/51/07/67/1120510767.db2.gz XRZMVTXGDXENAO-INIZCTEOSA-N 0 1 271.335 3.617 20 0 CHADMN CCn1nncc1CNCc1ccc(C2CCCCC2)cc1 ZINC000418060366 1120512234 /nfs/dbraw/zinc/51/22/34/1120512234.db2.gz CJEGWXNPHAUNAP-UHFFFAOYSA-N 0 1 298.434 3.636 20 0 CHADMN C[C@H](N[C@@H](c1cccnc1)C1CC1)c1ccnn1C1CCC1 ZINC000925647456 1120513660 /nfs/dbraw/zinc/51/36/60/1120513660.db2.gz ZEBYRMOWEPWGPX-SCLBCKFNSA-N 0 1 296.418 3.805 20 0 CHADMN CC(C)CCOc1ccc(CNCc2ccccn2)cc1 ZINC000020091638 1120515249 /nfs/dbraw/zinc/51/52/49/1120515249.db2.gz RKRJFUJDAQTWAX-UHFFFAOYSA-N 0 1 284.403 3.796 20 0 CHADMN Fc1ccc2c(c1)nccc2NC[C@@H]1COc2ccccc21 ZINC000673510619 1120517522 /nfs/dbraw/zinc/51/75/22/1120517522.db2.gz PWDMGMQVIOPCBS-GFCCVEGCSA-N 0 1 294.329 3.962 20 0 CHADMN COc1cccc(CNCc2cc(F)cc(F)c2)c1C ZINC000657804143 1120524753 /nfs/dbraw/zinc/52/47/53/1120524753.db2.gz FVNBQIYTCZIDRS-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN c1cc2n(n1)CCC[C@@H]2N[C@H]1CCSc2ccccc21 ZINC000657835209 1120536885 /nfs/dbraw/zinc/53/68/85/1120536885.db2.gz DJTZWCLTWZKGRO-KBPBESRZSA-N 0 1 285.416 3.545 20 0 CHADMN FC(F)(F)c1ccc(CNc2ccc3nn[nH]c3c2)s1 ZINC000428865260 1120543382 /nfs/dbraw/zinc/54/33/82/1120543382.db2.gz VTQQUGUBTANCQC-UHFFFAOYSA-N 0 1 298.293 3.650 20 0 CHADMN FC(F)(F)c1ccc(CNc2ccc3n[nH]nc3c2)s1 ZINC000428865260 1120543386 /nfs/dbraw/zinc/54/33/86/1120543386.db2.gz VTQQUGUBTANCQC-UHFFFAOYSA-N 0 1 298.293 3.650 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(F)ccc2F)cc1 ZINC000019909243 1120544632 /nfs/dbraw/zinc/54/46/32/1120544632.db2.gz QKWOMDTVFPAOFB-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN COc1ccc(CC[C@H](C)N[C@@H]2CCCC2(F)F)cc1 ZINC000398001373 1120549370 /nfs/dbraw/zinc/54/93/70/1120549370.db2.gz WGWLUQBEEHCYAW-SWLSCSKDSA-N 0 1 283.362 3.794 20 0 CHADMN Cc1cn[nH]c1CNc1ccccc1COC(C)(C)C ZINC000922552317 1120550173 /nfs/dbraw/zinc/55/01/73/1120550173.db2.gz YUOAADCVXKFZGT-UHFFFAOYSA-N 0 1 273.380 3.645 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@H]2CCCC2(F)F)C12CCCC2 ZINC000398005802 1120552494 /nfs/dbraw/zinc/55/24/94/1120552494.db2.gz QHIFLBSLRPDYKV-YNEHKIRRSA-N 0 1 273.367 3.502 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(C)cc2)c(OC)c1 ZINC000019962677 1120553093 /nfs/dbraw/zinc/55/30/93/1120553093.db2.gz WQGRFBRTQHIANI-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN Cc1ccc(CN[C@H](C)c2nc3ccccc3n2C)cc1 ZINC000019962639 1120553506 /nfs/dbraw/zinc/55/35/06/1120553506.db2.gz JWPAGBUBABECKF-CQSZACIVSA-N 0 1 279.387 3.733 20 0 CHADMN C[C@@H]1Cc2cc(CN[C@H](c3ccccn3)C3CC3)ccc2O1 ZINC000922581637 1120555879 /nfs/dbraw/zinc/55/58/79/1120555879.db2.gz KMTWQFDWVHUNFZ-YJYMSZOUSA-N 0 1 294.398 3.646 20 0 CHADMN Fc1ccc(CN[C@H](c2ccccn2)C2CC2)cc1F ZINC000922585046 1120556913 /nfs/dbraw/zinc/55/69/13/1120556913.db2.gz HVWGOIYYXAXUFU-INIZCTEOSA-N 0 1 274.314 3.601 20 0 CHADMN C[C@H](CCN[C@@H]1CCCC1(F)F)c1ccccc1 ZINC000398040716 1120558439 /nfs/dbraw/zinc/55/84/39/1120558439.db2.gz PBZJUULDFOLBPM-TZMCWYRMSA-N 0 1 253.336 3.958 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccccn2)C2CC2)cc1F ZINC000922586964 1120558879 /nfs/dbraw/zinc/55/88/79/1120558879.db2.gz UTVZJWAWYGSNAP-QGZVFWFLSA-N 0 1 270.351 3.770 20 0 CHADMN FC1(F)CC[C@@H](N[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000314429192 1120560874 /nfs/dbraw/zinc/56/08/74/1120560874.db2.gz BOMZNVBHMXWIRL-ZBFHGGJFSA-N 0 1 288.341 3.948 20 0 CHADMN C[C@@H](COCC1CCCCC1)NCc1cnc(C2CC2)o1 ZINC000922599680 1120561407 /nfs/dbraw/zinc/56/14/07/1120561407.db2.gz JOLJYAMWCMDEBD-ZDUSSCGKSA-N 0 1 292.423 3.627 20 0 CHADMN CC[C@@H](NCc1ccnc(F)c1)c1cc(F)ccc1OC ZINC000922618347 1120565303 /nfs/dbraw/zinc/56/53/03/1120565303.db2.gz LCIUWIKNBWKHDC-CQSZACIVSA-N 0 1 292.329 3.609 20 0 CHADMN C[C@H](CCO)N(C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000652048521 1120571550 /nfs/dbraw/zinc/57/15/50/1120571550.db2.gz OPAPIMYQQYEPKH-SECBINFHSA-N 0 1 295.732 3.562 20 0 CHADMN C[C@@H]1CN(CC2CC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428933588 1120573877 /nfs/dbraw/zinc/57/38/77/1120573877.db2.gz LQPYLPOCIGUEGY-ABAIWWIYSA-N 0 1 299.336 3.877 20 0 CHADMN CCCN1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428933980 1120574437 /nfs/dbraw/zinc/57/44/37/1120574437.db2.gz VPJRLWOZFSSPRM-RISCZKNCSA-N 0 1 287.325 3.877 20 0 CHADMN Cn1cnc(CN[C@@H]2CC(C)(C)CCc3ccccc32)c1 ZINC000673608398 1120575236 /nfs/dbraw/zinc/57/52/36/1120575236.db2.gz VVWZGRAPUBMJMU-QGZVFWFLSA-N 0 1 283.419 3.614 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccc(F)cc2C)nc1 ZINC000922668051 1120575710 /nfs/dbraw/zinc/57/57/10/1120575710.db2.gz ZVDWYLZFPUDFNH-ZDUSSCGKSA-N 0 1 288.366 3.779 20 0 CHADMN CSc1ccc(-c2ccc([C@H]3COCCN3)cc2)cc1 ZINC000629693441 1128925573 /nfs/dbraw/zinc/92/55/73/1128925573.db2.gz HKHFSKOOJDTMSB-QGZVFWFLSA-N 0 1 285.412 3.736 20 0 CHADMN C[C@@H](Nc1cc2c(cn1)CCCC2)c1cscn1 ZINC000336031806 1120576068 /nfs/dbraw/zinc/57/60/68/1120576068.db2.gz JKEGCNVSOWINMM-SNVBAGLBSA-N 0 1 259.378 3.590 20 0 CHADMN Cc1ncc(CN[C@H](C)c2ccc(F)cc2C)s1 ZINC000922664807 1120576773 /nfs/dbraw/zinc/57/67/73/1120576773.db2.gz FSICQOJHGHUZQC-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN COc1ccc([C@H](C)NCc2cccc3c2OCC3)cc1C ZINC000922673829 1120577915 /nfs/dbraw/zinc/57/79/15/1120577915.db2.gz CLULYYBEHOYYED-AWEZNQCLSA-N 0 1 297.398 3.789 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)[C@@H](C)c1cnc(C)cn1 ZINC000428941269 1120577941 /nfs/dbraw/zinc/57/79/41/1120577941.db2.gz ICEARKRYLUOBFZ-DKGMDFAASA-N 0 1 281.403 3.881 20 0 CHADMN FC(F)[C@H]1C[C@@H]1NCc1c(Cl)oc2ccccc21 ZINC000673610223 1120585350 /nfs/dbraw/zinc/58/53/50/1120585350.db2.gz NLHMWHDCUVBNJN-WPRPVWTQSA-N 0 1 271.694 3.829 20 0 CHADMN CC(C)c1nc(CN2CC[C@H](C(C)(C)C)C[C@@H]2C)n[nH]1 ZINC000428957630 1120586384 /nfs/dbraw/zinc/58/63/84/1120586384.db2.gz AHLUPHNSHRBDDJ-STQMWFEESA-N 0 1 278.444 3.575 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H](C(C)(C)C)C[C@@H]2C)n[nH]1 ZINC000428957629 1120586824 /nfs/dbraw/zinc/58/68/24/1120586824.db2.gz AHLUPHNSHRBDDJ-QWHCGFSZSA-N 0 1 278.444 3.575 20 0 CHADMN Cc1nc(C[N@H+](C)[C@@H](C)C2CCCCC2)c(C)o1 ZINC000660427426 1120597775 /nfs/dbraw/zinc/59/77/75/1120597775.db2.gz UWYAJZQUJVFGJB-NSHDSACASA-N 0 1 250.386 3.692 20 0 CHADMN c1n[nH]c2c1[C@H](Nc1ccc(C3CC3)cc1)CCC2 ZINC000690131997 1120599016 /nfs/dbraw/zinc/59/90/16/1120599016.db2.gz ZBXDUDKDIGMFHN-OAHLLOKOSA-N 0 1 253.349 3.777 20 0 CHADMN Cc1cc(C)cc(CN(C)[C@@H](C)c2cnc(C)cn2)c1 ZINC000428987929 1120600766 /nfs/dbraw/zinc/60/07/66/1120600766.db2.gz ZFWGYQDMAFUBTG-HNNXBMFYSA-N 0 1 269.392 3.595 20 0 CHADMN C[C@H](CF)NCc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000673619247 1120601876 /nfs/dbraw/zinc/60/18/76/1120601876.db2.gz XYNUJGATIPVDPH-CYBMUJFWSA-N 0 1 289.398 3.617 20 0 CHADMN C[C@H]1C[C@@]1(NCc1cncs1)c1ccc(Cl)cc1 ZINC000500398204 1120609146 /nfs/dbraw/zinc/60/91/46/1120609146.db2.gz CTKHHIRRKMITIB-HZMBPMFUSA-N 0 1 278.808 3.821 20 0 CHADMN CCn1nccc1CN[C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000500401719 1120611945 /nfs/dbraw/zinc/61/19/45/1120611945.db2.gz XBOSKCRPVZUNIY-MLGOLLRUSA-N 0 1 289.810 3.581 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCOC[C@@H](C2CCC2)C1 ZINC000429009608 1120613591 /nfs/dbraw/zinc/61/35/91/1120613591.db2.gz OJBXACHBELEOOL-WFASDCNBSA-N 0 1 295.373 3.774 20 0 CHADMN CCc1ccc(CN(C)Cc2ccccc2C)nc1 ZINC000338885594 1120614882 /nfs/dbraw/zinc/61/48/82/1120614882.db2.gz AKVLGHZRPMVFJY-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN CC(C)N(Cc1ccncc1Br)CC1CCC1 ZINC000625375295 1120673737 /nfs/dbraw/zinc/67/37/37/1120673737.db2.gz MPFQIMAZNKWZGN-UHFFFAOYSA-N 0 1 297.240 3.855 20 0 CHADMN Cn1c(CN[C@@H]2CCCc3cccnc32)cc2ccccc21 ZINC000922875341 1120615886 /nfs/dbraw/zinc/61/58/86/1120615886.db2.gz LTWOVRSCSVNLTR-QGZVFWFLSA-N 0 1 291.398 3.741 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3cccnc32)c(C)s1 ZINC000922877584 1120616164 /nfs/dbraw/zinc/61/61/64/1120616164.db2.gz POVQSNGXBFGRIP-OAHLLOKOSA-N 0 1 272.417 3.927 20 0 CHADMN CC(C)[C@@H]1CCC2=NN(c3ncccc3Cl)C(=O)[C@H]2C1 ZINC000634594753 1128928593 /nfs/dbraw/zinc/92/85/93/1128928593.db2.gz GKZYKVDOWKKZNC-MNOVXSKESA-N 0 1 291.782 3.510 20 0 CHADMN Cc1ccc(CN2CCCC[C@@H]2c2ccnn2C)cc1C ZINC000500424545 1120622651 /nfs/dbraw/zinc/62/26/51/1120622651.db2.gz LEJAVZNEPNEEQS-GOSISDBHSA-N 0 1 283.419 3.764 20 0 CHADMN CCC[C@H](C)N(C)CC(=O)c1c[nH]c2ccc(F)cc12 ZINC000625078571 1120629596 /nfs/dbraw/zinc/62/95/96/1120629596.db2.gz ROSQWGCCMLATIC-NSHDSACASA-N 0 1 276.355 3.610 20 0 CHADMN CC(C)CCCN1CCO[C@H](c2cccs2)C1 ZINC000429053011 1120631743 /nfs/dbraw/zinc/63/17/43/1120631743.db2.gz IWRPPPZQHYGUQX-ZDUSSCGKSA-N 0 1 253.411 3.558 20 0 CHADMN CC(C)CC[N@@H+](Cc1ncccc1Cl)C1CC1 ZINC000625083214 1120631899 /nfs/dbraw/zinc/63/18/99/1120631899.db2.gz GLKFDTOWGQZEOT-UHFFFAOYSA-N 0 1 252.789 3.746 20 0 CHADMN CC(C)CCN(Cc1ncccc1Cl)C1CC1 ZINC000625083214 1120631902 /nfs/dbraw/zinc/63/19/02/1120631902.db2.gz GLKFDTOWGQZEOT-UHFFFAOYSA-N 0 1 252.789 3.746 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCCCC[C@H]3C)n[nH]2)cc1 ZINC000511756349 1120637715 /nfs/dbraw/zinc/63/77/15/1120637715.db2.gz CLYHYHZSCNWICK-CQSZACIVSA-N 0 1 297.402 3.790 20 0 CHADMN Cc1ccc2sc(CN3CCCOC(C)(C)C3)nc2c1 ZINC000625175239 1120642408 /nfs/dbraw/zinc/64/24/08/1120642408.db2.gz MZDFEXWYQXVZHM-UHFFFAOYSA-N 0 1 290.432 3.606 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)N(C)Cc1ccnn1C ZINC000511765146 1120642649 /nfs/dbraw/zinc/64/26/49/1120642649.db2.gz MTBKVCUIGZUEOI-CQSZACIVSA-N 0 1 279.387 3.766 20 0 CHADMN CC(C)Oc1ccc(-c2cccc([C@H]3COCCN3)c2)cc1 ZINC000629733603 1128930456 /nfs/dbraw/zinc/93/04/56/1128930456.db2.gz ZWQKXQQJNHFHTC-LJQANCHMSA-N 0 1 297.398 3.802 20 0 CHADMN CCO[C@@H](CN1CC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000625213373 1120648109 /nfs/dbraw/zinc/64/81/09/1120648109.db2.gz SSCOYIAHMHELCF-HOTGVXAUSA-N 0 1 279.811 3.902 20 0 CHADMN CC(C)N(Cc1ccncc1Br)C1CCC1 ZINC000625256215 1120656885 /nfs/dbraw/zinc/65/68/85/1120656885.db2.gz QSIQWOWBRYFXOM-UHFFFAOYSA-N 0 1 283.213 3.607 20 0 CHADMN Cc1ccc(CN(Cc2ccncc2)C2CC2)cc1F ZINC000625269117 1120657642 /nfs/dbraw/zinc/65/76/42/1120657642.db2.gz BAJIIBYSFOACKA-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN CCN(Cc1ccncc1)Cc1ccc(OC)c(Cl)c1 ZINC000197657333 1120658140 /nfs/dbraw/zinc/65/81/40/1120658140.db2.gz SNHNSFJPLBRNBY-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN Cc1nc(CN(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)co1 ZINC000660561817 1120658946 /nfs/dbraw/zinc/65/89/46/1120658946.db2.gz HEUBEDFXJTZNQL-KLPPZKSPSA-N 0 1 276.302 3.536 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2)C[C@@H](c2ccccc2)O1 ZINC000511839404 1120660982 /nfs/dbraw/zinc/66/09/82/1120660982.db2.gz UVSHIEVTEPHMDC-QAPCUYQASA-N 0 1 267.372 3.649 20 0 CHADMN Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1 ZINC000511844731 1120662304 /nfs/dbraw/zinc/66/23/04/1120662304.db2.gz MYVKKMOYYYTBIX-QFBILLFUSA-N 0 1 281.399 3.957 20 0 CHADMN Cc1ccc(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1 ZINC000511844731 1120662305 /nfs/dbraw/zinc/66/23/05/1120662305.db2.gz MYVKKMOYYYTBIX-QFBILLFUSA-N 0 1 281.399 3.957 20 0 CHADMN CC1(C)CCC[C@@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000383062402 1120663562 /nfs/dbraw/zinc/66/35/62/1120663562.db2.gz NVKACCYNVZDYNX-LBPRGKRZSA-N 0 1 253.773 3.714 20 0 CHADMN CC[C@H]1CN(Cc2cc3ccccc3s2)C[C@H](C)O1 ZINC000511854411 1120663623 /nfs/dbraw/zinc/66/36/23/1120663623.db2.gz HTCSJFPECKJMJS-JSGCOSHPSA-N 0 1 275.417 3.901 20 0 CHADMN C[C@H](CN(C)Cc1cc(O)ccc1Cl)c1nccs1 ZINC000625311307 1120665948 /nfs/dbraw/zinc/66/59/48/1120665948.db2.gz ARVWJTHGXSRIRU-SNVBAGLBSA-N 0 1 296.823 3.738 20 0 CHADMN C1CN2CCCC2(c2nc(C3CCCCCC3)no2)C1 ZINC000647694721 1120666543 /nfs/dbraw/zinc/66/65/43/1120666543.db2.gz PVUFSUWETDPZHK-UHFFFAOYSA-N 0 1 275.396 3.592 20 0 CHADMN C[C@@H](N(C)Cn1c(=O)oc2ccc(Cl)cc21)C(C)(C)C ZINC000026630707 1120668983 /nfs/dbraw/zinc/66/89/83/1120668983.db2.gz YUZXMVASYNMSSD-SNVBAGLBSA-N 0 1 296.798 3.572 20 0 CHADMN Cc1ccc2sc(C[N@H+]3CC[C@@H]4CCC[C@@H]43)nc2c1 ZINC000625344163 1120671087 /nfs/dbraw/zinc/67/10/87/1120671087.db2.gz SFFKUSJHGGVHGH-JSGCOSHPSA-N 0 1 272.417 3.979 20 0 CHADMN CCc1nocc1CN[C@H](C)c1cccc(C2CC2)c1 ZINC000660646387 1120672312 /nfs/dbraw/zinc/67/23/12/1120672312.db2.gz ZRFHTVOXDKOZSY-GFCCVEGCSA-N 0 1 270.376 3.965 20 0 CHADMN C[C@@H](c1cccc2ccccc21)N1CCc2nc[nH]c2C1 ZINC000625438529 1120680189 /nfs/dbraw/zinc/68/01/89/1120680189.db2.gz VFCYGFZWMAVWHP-ZDUSSCGKSA-N 0 1 277.371 3.682 20 0 CHADMN CCO[C@@H]1CCN(Cc2cccc(OC)c2Cl)C[C@@H]1C ZINC000660720447 1120680778 /nfs/dbraw/zinc/68/07/78/1120680778.db2.gz OXEFNHVCISFQBW-GXTWGEPZSA-N 0 1 297.826 3.596 20 0 CHADMN c1ccc2c(c1)snc2CN1CCSC[C@@H]1C1CC1 ZINC000660726606 1120682229 /nfs/dbraw/zinc/68/22/29/1120682229.db2.gz XEYPKECZTUFQFB-CQSZACIVSA-N 0 1 290.457 3.624 20 0 CHADMN Cc1ccc(CN2CCC=C(c3ccccn3)C2)cc1F ZINC000625447815 1120682997 /nfs/dbraw/zinc/68/29/97/1120682997.db2.gz IHVBTALVHXGQEC-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN CN(Cc1nsc2ccccc21)[C@H](CO)CC(C)(C)C ZINC000660734721 1120683491 /nfs/dbraw/zinc/68/34/91/1120683491.db2.gz FSSVJUDSJFAKFF-LBPRGKRZSA-N 0 1 292.448 3.525 20 0 CHADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@@H]1C[C@H]1C ZINC000625459225 1120684851 /nfs/dbraw/zinc/68/48/51/1120684851.db2.gz UDJKHXKXGHXXCB-VWYCJHECSA-N 0 1 277.799 3.865 20 0 CHADMN Cc1nc(CN(C)[C@@H]2CCC[C@@H]2c2ccccc2)co1 ZINC000660775313 1120686695 /nfs/dbraw/zinc/68/66/95/1120686695.db2.gz ICQZAJWOJVFBSZ-IAGOWNOFSA-N 0 1 270.376 3.751 20 0 CHADMN Clc1ccc(-c2cccc([C@@H]3COCCN3)c2)s1 ZINC000629753470 1128933611 /nfs/dbraw/zinc/93/36/11/1128933611.db2.gz PGNXBCJDHTVLIV-LBPRGKRZSA-N 0 1 279.792 3.729 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@H]1CCc2ccc(F)cc21 ZINC000673931224 1120693695 /nfs/dbraw/zinc/69/36/95/1120693695.db2.gz VKEQGWBOOSPVMX-PSLIRLAXSA-N 0 1 274.339 3.769 20 0 CHADMN CCO[C@H](CN1CCc2sc(Cl)cc2C1)C1CC1 ZINC000625507491 1120696423 /nfs/dbraw/zinc/69/64/23/1120696423.db2.gz UMSUSWBIALESRX-GFCCVEGCSA-N 0 1 285.840 3.575 20 0 CHADMN Cc1ncc2c(n1)CCC[C@H]2N[C@H](C)c1ccsc1 ZINC000766044467 1120701978 /nfs/dbraw/zinc/70/19/78/1120701978.db2.gz MBJFRUFMDMQUHR-QMTHXVAHSA-N 0 1 273.405 3.575 20 0 CHADMN C[C@@H](c1nc(-c2ccccc2)no1)N1C[C@@H]2CCCC[C@@H]21 ZINC000660927847 1120703888 /nfs/dbraw/zinc/70/38/88/1120703888.db2.gz GQKTZJVIYYVZMS-QEJZJMRPSA-N 0 1 283.375 3.672 20 0 CHADMN c1ccc(Oc2ccc(CN3C[C@@H]4CCCC[C@@H]43)nn2)cc1 ZINC000660933275 1120704969 /nfs/dbraw/zinc/70/49/69/1120704969.db2.gz NGYFSFDTADEFLF-YOEHRIQHSA-N 0 1 295.386 3.643 20 0 CHADMN CC[C@@H](NCc1nc2ccccc2[nH]1)c1cccs1 ZINC000054375572 1120706960 /nfs/dbraw/zinc/70/69/60/1120706960.db2.gz NLBSCPGHYAOEEZ-LLVKDONJSA-N 0 1 271.389 3.865 20 0 CHADMN c1c2cnccc2oc1CN[C@@H]1CCCOc2ccccc21 ZINC000651696060 1120715061 /nfs/dbraw/zinc/71/50/61/1120715061.db2.gz GCVYUKGXUYDOBD-MRXNPFEDSA-N 0 1 294.354 3.831 20 0 CHADMN CSCc1ccc(C[N@@H+](C)Cc2cccnc2)cc1 ZINC000893419625 1120715635 /nfs/dbraw/zinc/71/56/35/1120715635.db2.gz VTYAHAICIAEDGZ-UHFFFAOYSA-N 0 1 272.417 3.577 20 0 CHADMN CSCc1ccc(CN(C)Cc2cccnc2)cc1 ZINC000893419625 1120715639 /nfs/dbraw/zinc/71/56/39/1120715639.db2.gz VTYAHAICIAEDGZ-UHFFFAOYSA-N 0 1 272.417 3.577 20 0 CHADMN CC[C@@H](C)N(CC)Cc1nccn1Cc1ccccc1 ZINC000661106443 1120717011 /nfs/dbraw/zinc/71/70/11/1120717011.db2.gz JTNSUDZRQXYECA-OAHLLOKOSA-N 0 1 271.408 3.552 20 0 CHADMN CC[C@@H](C)N(CC)Cc1nc(C(F)(F)F)cs1 ZINC000661105995 1120718915 /nfs/dbraw/zinc/71/89/15/1120718915.db2.gz GFDVIBLXUNORAR-MRVPVSSYSA-N 0 1 266.332 3.782 20 0 CHADMN CC[C@H](C)N(CC)Cc1nc(C(F)(F)F)cs1 ZINC000661105996 1120719058 /nfs/dbraw/zinc/71/90/58/1120719058.db2.gz GFDVIBLXUNORAR-QMMMGPOBSA-N 0 1 266.332 3.782 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2c(C)cccc2C)no1 ZINC000661138040 1120726632 /nfs/dbraw/zinc/72/66/32/1120726632.db2.gz VYHZSOOBNZFYMY-INIZCTEOSA-N 0 1 270.376 3.937 20 0 CHADMN Fc1ccc(CN2CCC(c3ccco3)CC2)cc1 ZINC000661161727 1120728803 /nfs/dbraw/zinc/72/88/03/1120728803.db2.gz WXMPJCMZCHKZHC-UHFFFAOYSA-N 0 1 259.324 3.798 20 0 CHADMN CCCc1nc(C)c(CN2CCC(c3ccco3)CC2)o1 ZINC000661160866 1120729418 /nfs/dbraw/zinc/72/94/18/1120729418.db2.gz FKHWEWVANAMEQY-UHFFFAOYSA-N 0 1 288.391 3.908 20 0 CHADMN CN1Cc2ccc(NCc3cccc4c3CCC4)cc2C1 ZINC000651753738 1120735129 /nfs/dbraw/zinc/73/51/29/1120735129.db2.gz CAWJSJIHEPGRDR-UHFFFAOYSA-N 0 1 278.399 3.733 20 0 CHADMN COCCN(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000044895210 1120737418 /nfs/dbraw/zinc/73/74/18/1120737418.db2.gz ZZHUCBLMZONKBP-VIFPVBQESA-N 0 1 262.180 3.633 20 0 CHADMN CCc1noc([C@@H](C)N2CCc3ccccc3C(C)(C)C2)n1 ZINC000661210468 1120739586 /nfs/dbraw/zinc/73/95/86/1120739586.db2.gz QUZMTKCYEUFMNL-CYBMUJFWSA-N 0 1 299.418 3.529 20 0 CHADMN CCc1cnc(CN2CCc3ccccc3C(C)(C)C2)o1 ZINC000661212023 1120739593 /nfs/dbraw/zinc/73/95/93/1120739593.db2.gz RACODRPHWGJKHK-UHFFFAOYSA-N 0 1 284.403 3.573 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N1N=C2[C@H](C)CC[C@H]2C1=O ZINC000634601102 1128937033 /nfs/dbraw/zinc/93/70/33/1128937033.db2.gz CRGVQJDVWCFIDL-GBIKHYSHSA-N 0 1 276.767 3.645 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)n1[nH]c2c(c1=O)CC[C@H]2C ZINC000634601102 1128937035 /nfs/dbraw/zinc/93/70/35/1128937035.db2.gz CRGVQJDVWCFIDL-GBIKHYSHSA-N 0 1 276.767 3.645 20 0 CHADMN CC[C@]1(C)CCC[C@H]1N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000651784059 1120744481 /nfs/dbraw/zinc/74/44/81/1120744481.db2.gz AFWNNUCGECCBFM-HWWQOWPSSA-N 0 1 279.428 3.987 20 0 CHADMN COc1c(C)cc(CN(C)Cc2ncccc2C)cc1C ZINC000093170445 1128937850 /nfs/dbraw/zinc/93/78/50/1128937850.db2.gz KAEVZLJOXAQULY-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN C[C@H](NCCCc1c(F)cccc1F)c1cscn1 ZINC000661415212 1120763238 /nfs/dbraw/zinc/76/32/38/1120763238.db2.gz QQCPCXMKRVAVBS-JTQLQIEISA-N 0 1 282.359 3.705 20 0 CHADMN CC(C)OCCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661438893 1120766841 /nfs/dbraw/zinc/76/68/41/1120766841.db2.gz VYKQWXQCFBDZFF-HNNXBMFYSA-N 0 1 263.381 3.622 20 0 CHADMN COc1ccc(CN2CCC23CCCC3)c(Cl)c1OC ZINC000651873347 1120768151 /nfs/dbraw/zinc/76/81/51/1120768151.db2.gz BTGDVMVWWLCNDB-UHFFFAOYSA-N 0 1 295.810 3.876 20 0 CHADMN C[C@]1(Cc2cccc(Cl)c2)CCCN1Cc1cocn1 ZINC000651889840 1120770825 /nfs/dbraw/zinc/77/08/25/1120770825.db2.gz BLNMTSBJJJYZTN-MRXNPFEDSA-N 0 1 290.794 3.925 20 0 CHADMN COCc1nc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)cs1 ZINC000661578105 1120781404 /nfs/dbraw/zinc/78/14/04/1120781404.db2.gz INBWUTQEGTUYNX-CQSZACIVSA-N 0 1 294.464 3.692 20 0 CHADMN COCc1nc(CN2CC[C@@H](C3CCCCC3)C2)cs1 ZINC000661578105 1120781406 /nfs/dbraw/zinc/78/14/06/1120781406.db2.gz INBWUTQEGTUYNX-CQSZACIVSA-N 0 1 294.464 3.692 20 0 CHADMN CCc1noc([C@@H](C)N2CC[C@H](C3CCCCC3)C2)n1 ZINC000661582896 1120783330 /nfs/dbraw/zinc/78/33/30/1120783330.db2.gz GWYQMFPTMSFAFV-OCCSQVGLSA-N 0 1 277.412 3.595 20 0 CHADMN CCCC(C)(C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000652163647 1120794272 /nfs/dbraw/zinc/79/42/72/1120794272.db2.gz SNLPXNALDYVWCL-UHFFFAOYSA-N 0 1 273.735 3.950 20 0 CHADMN CCC[C@@H](C)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000048070639 1120800931 /nfs/dbraw/zinc/80/09/31/1120800931.db2.gz BQRNUMLWZWEYJP-CYBMUJFWSA-N 0 1 273.380 3.665 20 0 CHADMN CCc1cnc(CN2CCC3(CCCCC3)CC2)o1 ZINC000075684318 1120807134 /nfs/dbraw/zinc/80/71/34/1120807134.db2.gz GUHARBVKPJPPKF-UHFFFAOYSA-N 0 1 262.397 3.783 20 0 CHADMN CCCOc1cccc(CNCc2ccc(C)o2)c1 ZINC000048326951 1120809775 /nfs/dbraw/zinc/80/97/75/1120809775.db2.gz YMLZDDCMFSBVTN-UHFFFAOYSA-N 0 1 259.349 3.667 20 0 CHADMN CCCC[C@H](CC)CCCN(C)C(=O)c1coc(CN)c1 ZINC000663000348 1120814972 /nfs/dbraw/zinc/81/49/72/1120814972.db2.gz GTNHOKBVYWNMMG-AWEZNQCLSA-N 0 1 294.439 3.807 20 0 CHADMN CCC[C@@H](C)[N@@H+](C)Cc1nn(CC)c2ccccc12 ZINC000473148858 1120819443 /nfs/dbraw/zinc/81/94/43/1120819443.db2.gz RMTOUEGQIIQRLV-CYBMUJFWSA-N 0 1 259.397 3.677 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000661855399 1120826374 /nfs/dbraw/zinc/82/63/74/1120826374.db2.gz GHZVCANQMXLXON-NEPJUHHUSA-N 0 1 287.325 3.705 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000652384161 1120850200 /nfs/dbraw/zinc/85/02/00/1120850200.db2.gz RHBQXACQRNGBKK-QGZVFWFLSA-N 0 1 281.355 3.722 20 0 CHADMN CCCC[N@@H+](CC[C@@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000652395226 1120851644 /nfs/dbraw/zinc/85/16/44/1120851644.db2.gz IBPREZDARJQJNJ-MRXNPFEDSA-N 0 1 275.392 3.509 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000652404444 1120854918 /nfs/dbraw/zinc/85/49/18/1120854918.db2.gz ULNZIUCRNUBKLU-SFHVURJKSA-N 0 1 295.382 3.792 20 0 CHADMN CCCCc1noc([C@@H](C)N[C@H](C)C2CCC(F)CC2)n1 ZINC000661999833 1120855217 /nfs/dbraw/zinc/85/52/17/1120855217.db2.gz IFEMUCDXYOQMDV-IWMBGFJWSA-N 0 1 297.418 3.980 20 0 CHADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000652429936 1120860942 /nfs/dbraw/zinc/86/09/42/1120860942.db2.gz BZTTZHJRRVDUBV-AAEUAGOBSA-N 0 1 281.421 3.847 20 0 CHADMN COc1ccccc1CNCc1ccccc1C1CC1 ZINC000094357499 1120861119 /nfs/dbraw/zinc/86/11/19/1120861119.db2.gz OGAXEQZKUVIFCG-UHFFFAOYSA-N 0 1 267.372 3.862 20 0 CHADMN Cc1cc(C)cc(CNc2ccc3c[nH]nc3c2)c1 ZINC000049773319 1120864334 /nfs/dbraw/zinc/86/43/34/1120864334.db2.gz RCROBYJVLHXXNA-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN Cc1cc(C)cc([C@H]2CC[N@H+]([C@H](CC(C)C)C(=O)[O-])C2)c1 ZINC000652443668 1120865421 /nfs/dbraw/zinc/86/54/21/1120865421.db2.gz QGOCQXWQXUNNOW-DOTOQJQBSA-N 0 1 289.419 3.592 20 0 CHADMN Cc1cccc2nc(-c3cc4c(c(Cl)c3)OCO4)[nH]c21 ZINC000662066766 1120868128 /nfs/dbraw/zinc/86/81/28/1120868128.db2.gz OQJPPHKQDYMBCM-UHFFFAOYSA-N 0 1 286.718 3.920 20 0 CHADMN CC(C)CC1(N[C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000662071013 1120869092 /nfs/dbraw/zinc/86/90/92/1120869092.db2.gz XROFEWNUCORMJZ-GFCCVEGCSA-N 0 1 285.391 3.565 20 0 CHADMN CC(C)C[C@@H](C)C[N@@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000652475500 1120869454 /nfs/dbraw/zinc/86/94/54/1120869454.db2.gz ZLIFNXKUVUWTFN-GFCCVEGCSA-N 0 1 299.361 3.534 20 0 CHADMN CCCc1ccc(C[N@@H+](CC(=O)[O-])C2CCCCC2)cc1 ZINC000652482335 1120870593 /nfs/dbraw/zinc/87/05/93/1120870593.db2.gz XDUARRHBIZJJPY-UHFFFAOYSA-N 0 1 289.419 3.858 20 0 CHADMN O=C([O-])C[N@@H+](CCCCc1ccccc1)C1CCCCC1 ZINC000652482462 1120871126 /nfs/dbraw/zinc/87/11/26/1120871126.db2.gz BMJIRBIHBSKQOI-UHFFFAOYSA-N 0 1 289.419 3.729 20 0 CHADMN COCCO[C@@H]1CCCN([C@@H](C)c2ccccc2Cl)C1 ZINC000246003239 1120873882 /nfs/dbraw/zinc/87/38/82/1120873882.db2.gz YMXHFTFCUITDJH-UONOGXRCSA-N 0 1 297.826 3.528 20 0 CHADMN CC[C@@H](C)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000247290510 1120875784 /nfs/dbraw/zinc/87/57/84/1120875784.db2.gz UJDXSVUMVKAUFC-BXUZGUMPSA-N 0 1 298.224 3.621 20 0 CHADMN CC[C@@H](c1ccccc1)N(Cc1ccn(C)n1)C(C)C ZINC000662107447 1120876355 /nfs/dbraw/zinc/87/63/55/1120876355.db2.gz QWQXZJXADZLPBH-KRWDZBQOSA-N 0 1 271.408 3.782 20 0 CHADMN CCc1nnc(C[N@H+](C(C)C)[C@@H](CC)c2ccccc2)[nH]1 ZINC000662108002 1120877010 /nfs/dbraw/zinc/87/70/10/1120877010.db2.gz VAYSVHVGZMXRJN-HNNXBMFYSA-N 0 1 286.423 3.729 20 0 CHADMN C[C@@H](N[C@H]1CO[C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000402018873 1120879708 /nfs/dbraw/zinc/87/97/08/1120879708.db2.gz VCJCAPBUTGCVGE-IWSPIJDZSA-N 0 1 292.181 3.961 20 0 CHADMN C[C@H](OCc1cnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC001222999795 1120878963 /nfs/dbraw/zinc/87/89/63/1120878963.db2.gz IDOZMVDYZGXDTN-VIFPVBQESA-N 0 1 270.254 3.706 20 0 CHADMN CSCCCN(C)Cc1nc2cc(C)ccc2s1 ZINC000599397956 1120882003 /nfs/dbraw/zinc/88/20/03/1120882003.db2.gz VVAQUGJAAVSVEN-UHFFFAOYSA-N 0 1 280.462 3.790 20 0 CHADMN CC(C)(C)n1cc(CN2CCCC[C@H]2CC2CCC2)nn1 ZINC000662158863 1120889147 /nfs/dbraw/zinc/88/91/47/1120889147.db2.gz YAIKZJCWPMORAK-INIZCTEOSA-N 0 1 290.455 3.578 20 0 CHADMN CCCCC[C@H]1CCCCN1Cc1nc(C2CC2)no1 ZINC000662157966 1120889258 /nfs/dbraw/zinc/88/92/58/1120889258.db2.gz YRJZVCQLVSPKFD-AWEZNQCLSA-N 0 1 277.412 3.882 20 0 CHADMN Cc1nnc([C@H](C)N(C)C[C@H]2CCc3ccccc32)s1 ZINC000662198907 1120896032 /nfs/dbraw/zinc/89/60/32/1120896032.db2.gz XISUVSACTXAGFX-SMDDNHRTSA-N 0 1 287.432 3.569 20 0 CHADMN CC(C)n1ccnc1CN(C)C[C@@H]1CCc2ccccc21 ZINC000662199157 1120896323 /nfs/dbraw/zinc/89/63/23/1120896323.db2.gz YXBDKLFERQQUKS-INIZCTEOSA-N 0 1 283.419 3.626 20 0 CHADMN Cc1nnc([C@H](C)N(C)C[C@@H]2CCc3ccccc32)s1 ZINC000662198905 1120896793 /nfs/dbraw/zinc/89/67/93/1120896793.db2.gz XISUVSACTXAGFX-FZMZJTMJSA-N 0 1 287.432 3.569 20 0 CHADMN c1ccc(C[C@@H]2CCC[C@H]2c2nc([C@H]3CCCN3)no2)cc1 ZINC000663252081 1120900375 /nfs/dbraw/zinc/90/03/75/1120900375.db2.gz YPDVIPJUDKSLGC-ARFHVFGLSA-N 0 1 297.402 3.621 20 0 CHADMN C[C@@H]1CCC[C@@H](N(C)Cc2noc3c2CCCC3)C1 ZINC000171732261 1120901261 /nfs/dbraw/zinc/90/12/61/1120901261.db2.gz YPEKZVVBXMYESF-CHWSQXEVSA-N 0 1 262.397 3.564 20 0 CHADMN c1ccc2c(c1)C=CC1(CCN(Cc3cccnc3)CC1)O2 ZINC000662213046 1120903209 /nfs/dbraw/zinc/90/32/09/1120903209.db2.gz SCOPSVANXPAUJQ-UHFFFAOYSA-N 0 1 292.382 3.522 20 0 CHADMN Cc1cc([C@H](C)NCc2cc(-c3cccnc3)n[nH]2)c(C)o1 ZINC000343893836 1120905619 /nfs/dbraw/zinc/90/56/19/1120905619.db2.gz IZMVFBIJJZYGKT-LBPRGKRZSA-N 0 1 296.374 3.532 20 0 CHADMN FC(F)c1ccc(CN2CCC[C@H](OC3CCC3)C2)cn1 ZINC000630072529 1128948458 /nfs/dbraw/zinc/94/84/58/1128948458.db2.gz QLKYOZBXJDYULD-AWEZNQCLSA-N 0 1 296.361 3.553 20 0 CHADMN CN(CC1=CCSC1)Cc1ccc(F)c(Cl)c1 ZINC000662264305 1120913836 /nfs/dbraw/zinc/91/38/36/1120913836.db2.gz QDZRJSWTFAFBNU-UHFFFAOYSA-N 0 1 271.788 3.584 20 0 CHADMN CC(C)(C)c1nc(CN[C@]2(c3ccccc3)CC2(C)C)n[nH]1 ZINC000662339641 1120928055 /nfs/dbraw/zinc/92/80/55/1120928055.db2.gz BDOKOGYDQPWAAX-SFHVURJKSA-N 0 1 298.434 3.517 20 0 CHADMN C[C@H]1CN(CC2CCC(F)(F)CC2)C[C@@](C)(C(F)F)O1 ZINC000662358236 1120930408 /nfs/dbraw/zinc/93/04/08/1120930408.db2.gz LQKBMOPXKSJLIH-GWCFXTLKSA-N 0 1 297.336 3.556 20 0 CHADMN Cc1ccc(-c2nc(CN3CC4CC3(C)C4)co2)cc1 ZINC000662381355 1120932406 /nfs/dbraw/zinc/93/24/06/1120932406.db2.gz QOOWBJRIUDEXBY-UHFFFAOYSA-N 0 1 268.360 3.634 20 0 CHADMN COc1ccc(CNCc2ccc(Cl)c(C)c2)o1 ZINC000893570277 1120932444 /nfs/dbraw/zinc/93/24/44/1120932444.db2.gz XIGUMOTWDAWZLS-UHFFFAOYSA-N 0 1 265.740 3.540 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1CC2CC1(C)C2 ZINC000662381544 1120932598 /nfs/dbraw/zinc/93/25/98/1120932598.db2.gz WCBFYTMSNKULOT-UHFFFAOYSA-N 0 1 274.389 3.696 20 0 CHADMN CC12CC(C1)CN2Cc1cccc(C(F)(F)F)c1 ZINC000662381589 1120933188 /nfs/dbraw/zinc/93/31/88/1120933188.db2.gz XFEZURLZTVUOGS-UHFFFAOYSA-N 0 1 255.283 3.690 20 0 CHADMN CN(Cc1ccco1)Cc1cccc(-c2cccnc2)c1 ZINC000162153418 1120936773 /nfs/dbraw/zinc/93/67/73/1120936773.db2.gz JOPSVUSSDSABTK-UHFFFAOYSA-N 0 1 278.355 3.974 20 0 CHADMN COc1ccc(CN[C@]2(c3ccccc3)CC2(C)C)cc1O ZINC000663337922 1120937859 /nfs/dbraw/zinc/93/78/59/1120937859.db2.gz KSDVSTWKYJEZNM-IBGZPJMESA-N 0 1 297.398 3.816 20 0 CHADMN CC1(NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CCC1 ZINC000093352395 1128950988 /nfs/dbraw/zinc/95/09/88/1128950988.db2.gz SNXAXWFZKGMYFR-UHFFFAOYSA-N 0 1 294.305 3.565 20 0 CHADMN COc1ccc(-c2cnc(C[N@@H+](C)[C@H](C)C3CC3)o2)cc1 ZINC000065281385 1120949427 /nfs/dbraw/zinc/94/94/27/1120949427.db2.gz UYBMLVJZIDWLEB-GFCCVEGCSA-N 0 1 286.375 3.581 20 0 CHADMN C#CCN(C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000067117406 1120952816 /nfs/dbraw/zinc/95/28/16/1120952816.db2.gz PPAGHNJVIPKCMO-GFCCVEGCSA-N 0 1 296.233 3.551 20 0 CHADMN CCCN1CCC[C@@H]1C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000343906140 1120953979 /nfs/dbraw/zinc/95/39/79/1120953979.db2.gz MBPZYOKCFRXESU-MRXNPFEDSA-N 0 1 290.382 3.516 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCCC[C@@H]2CC(C)C)c1 ZINC000343909780 1120957592 /nfs/dbraw/zinc/95/75/92/1120957592.db2.gz BFQVNMIDLCOUQY-OAHLLOKOSA-N 0 1 299.418 3.912 20 0 CHADMN COC[C@H](NCc1c(Cl)cccc1Cl)C1CC1 ZINC000121598149 1120958261 /nfs/dbraw/zinc/95/82/61/1120958261.db2.gz UHSRSSZFPDSGBJ-ZDUSSCGKSA-N 0 1 274.191 3.508 20 0 CHADMN Cc1ccccc1OCCN(C)Cc1ccc(Cl)nc1 ZINC000078653826 1128952459 /nfs/dbraw/zinc/95/24/59/1128952459.db2.gz SEDGXIHFYXBJTR-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN C/C(=C\c1ccccc1)CN1C[C@H](C)OC(C)(C)C1 ZINC000511979606 1120963511 /nfs/dbraw/zinc/96/35/11/1120963511.db2.gz XJCGFKHRCHHYAX-IPJDOKCGSA-N 0 1 259.393 3.589 20 0 CHADMN CC[C@H]([NH2+]Cc1cc(N)ccn1)c1cccc(Cl)c1 ZINC000925771699 1120964185 /nfs/dbraw/zinc/96/41/85/1120964185.db2.gz NVQKBHTXUNKWCP-HNNXBMFYSA-N 0 1 275.783 3.558 20 0 CHADMN C/C(=C\c1nc([C@@H](N)CC(C)C)no1)c1cccs1 ZINC000621245887 1120966373 /nfs/dbraw/zinc/96/63/73/1120966373.db2.gz APMIBEQBVXFCBL-UQSGXBNBSA-N 0 1 277.393 3.738 20 0 CHADMN Clc1cscc1CN1CCOC[C@H](C2CCC2)C1 ZINC000644842970 1120971734 /nfs/dbraw/zinc/97/17/34/1120971734.db2.gz BUQWTOVRCBLJHE-GFCCVEGCSA-N 0 1 285.840 3.650 20 0 CHADMN C[C@@H](NCc1ccc(N2CCCCC2=O)cc1)c1ccoc1 ZINC000178509038 1120975182 /nfs/dbraw/zinc/97/51/82/1120975182.db2.gz ISONAQGIHQKBJU-CQSZACIVSA-N 0 1 298.386 3.647 20 0 CHADMN FC(F)(F)c1ccncc1CN[C@@H]1CCCc2occc21 ZINC000663471579 1120985421 /nfs/dbraw/zinc/98/54/21/1120985421.db2.gz SNRBSOWRRZNQEI-CYBMUJFWSA-N 0 1 296.292 3.861 20 0 CHADMN CCC(CC)N(CC)Cc1csc([C@@H](C)OC)n1 ZINC000344024489 1121055814 /nfs/dbraw/zinc/05/58/14/1121055814.db2.gz IQYMHHPRCCKWPX-LLVKDONJSA-N 0 1 270.442 3.861 20 0 CHADMN COc1cncc(CN(C)[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000343958539 1120999567 /nfs/dbraw/zinc/99/95/67/1120999567.db2.gz JLUYFIGFSNYRKE-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN CCN(CC)CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000001998327 1121010714 /nfs/dbraw/zinc/01/07/14/1121010714.db2.gz KYVALXGKNSKHJN-UHFFFAOYSA-N 0 1 298.386 3.759 20 0 CHADMN CS[C@@H](C)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000032625555 1121016208 /nfs/dbraw/zinc/01/62/08/1121016208.db2.gz NHWGRODETTZSAM-VIFPVBQESA-N 0 1 291.420 3.550 20 0 CHADMN CN(CCOc1ccccc1F)Cc1ccc(F)c(F)c1 ZINC000057972479 1121017876 /nfs/dbraw/zinc/01/78/76/1121017876.db2.gz KQSCBOHIKNVHLF-UHFFFAOYSA-N 0 1 295.304 3.615 20 0 CHADMN Cc1ccc(NC(=O)c2[nH]cnc2C(C)(C)C)c(Cl)c1 ZINC000630408480 1128956995 /nfs/dbraw/zinc/95/69/95/1128956995.db2.gz OCDSQEPKPKECBA-UHFFFAOYSA-N 0 1 291.782 3.921 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CCCC[C@H]1C ZINC000003538817 1121026673 /nfs/dbraw/zinc/02/66/73/1121026673.db2.gz MHBUVPSAAXMVNA-CQSZACIVSA-N 0 1 274.408 3.623 20 0 CHADMN Fc1cc(Br)cc(C[N@H+]2CCC[C@H]2C2CC2)c1 ZINC000674005827 1121033312 /nfs/dbraw/zinc/03/33/12/1121033312.db2.gz NTLQRIZDQLMDIO-AWEZNQCLSA-N 0 1 298.199 3.963 20 0 CHADMN Fc1cc(Br)cc(CN2CCC[C@H]2C2CC2)c1 ZINC000674005827 1121033319 /nfs/dbraw/zinc/03/33/19/1121033319.db2.gz NTLQRIZDQLMDIO-AWEZNQCLSA-N 0 1 298.199 3.963 20 0 CHADMN CCc1ccc(-c2noc([C@@H](C)NCC(C)C)n2)cc1 ZINC000543543278 1121035943 /nfs/dbraw/zinc/03/59/43/1121035943.db2.gz MNWQQXAMDCMXBR-GFCCVEGCSA-N 0 1 273.380 3.606 20 0 CHADMN CCN1CCCC[C@@H]1C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000343981127 1121039228 /nfs/dbraw/zinc/03/92/28/1121039228.db2.gz VVDHVNQOFMHOJS-MRXNPFEDSA-N 0 1 290.382 3.516 20 0 CHADMN CC(C)(NC/C=C\c1ccc(F)c(F)c1)c1nccs1 ZINC000512052302 1121042668 /nfs/dbraw/zinc/04/26/68/1121042668.db2.gz LWMREBNKIDJBJP-ARJAWSKDSA-N 0 1 294.370 3.959 20 0 CHADMN COc1ccc(Nc2c(C)nc3ccc(F)cn32)cc1C ZINC001174827402 1121046946 /nfs/dbraw/zinc/04/69/46/1121046946.db2.gz DLXPGLZGTLZJNW-UHFFFAOYSA-N 0 1 285.322 3.842 20 0 CHADMN Fc1ccc([C@H]2CCCN(Cc3cccnc3)C2)cc1F ZINC000625660634 1121050910 /nfs/dbraw/zinc/05/09/10/1121050910.db2.gz ZFHANKQPRGIEEM-HNNXBMFYSA-N 0 1 288.341 3.739 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1csc(Cl)c1 ZINC000282508966 1121052455 /nfs/dbraw/zinc/05/24/55/1121052455.db2.gz SPKLPANDNDHCAC-BXKDBHETSA-N 0 1 295.839 3.863 20 0 CHADMN Fc1cccc(CNCc2ccnc3ccccc23)c1F ZINC000674046511 1121057001 /nfs/dbraw/zinc/05/70/01/1121057001.db2.gz SZJKKEGTTCYSFE-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN C[C@@H](C(=O)c1c[nH]c2ncccc12)N1C[C@H](C)CC(C)(C)C1 ZINC000344026431 1121057543 /nfs/dbraw/zinc/05/75/43/1121057543.db2.gz JRMLKSFBOAPQMA-OLZOCXBDSA-N 0 1 299.418 3.502 20 0 CHADMN COc1cccc(C2(N[C@H](C)c3cccc(O)c3)CC2)c1 ZINC000282518453 1121066476 /nfs/dbraw/zinc/06/64/76/1121066476.db2.gz ZKZPZNPTTMRJFY-CYBMUJFWSA-N 0 1 283.371 3.741 20 0 CHADMN CSc1cccc(NC(=O)c2[nH]cnc2C(C)(C)C)c1 ZINC000630504581 1128960047 /nfs/dbraw/zinc/96/00/47/1128960047.db2.gz SCGZCDRJUOHACI-UHFFFAOYSA-N 0 1 289.404 3.681 20 0 CHADMN C[C@@H](CCc1ccccc1)N1Cc2ccc(O)cc2C1 ZINC000625726466 1121068324 /nfs/dbraw/zinc/06/83/24/1121068324.db2.gz KMSZAEYCABPUQU-AWEZNQCLSA-N 0 1 267.372 3.729 20 0 CHADMN CC1(C)CCC(C)(C)N(Cc2nnc(-c3ccco3)o2)C1 ZINC000625722744 1121071037 /nfs/dbraw/zinc/07/10/37/1121071037.db2.gz HJXZGOJTSFWZNJ-UHFFFAOYSA-N 0 1 289.379 3.730 20 0 CHADMN Cc1nc(CNc2ccnc3cc(F)ccc32)cs1 ZINC000674064182 1121072694 /nfs/dbraw/zinc/07/26/94/1121072694.db2.gz LAGDKRXMGAVVMM-UHFFFAOYSA-N 0 1 273.336 3.751 20 0 CHADMN OCC[C@@H](NCc1cccs1)c1ccc(Cl)c(F)c1 ZINC000631189823 1121074554 /nfs/dbraw/zinc/07/45/54/1121074554.db2.gz CSFVFVPLRRDZPH-CQSZACIVSA-N 0 1 299.798 3.754 20 0 CHADMN C[C@H]1CN(Cc2nc3cccnc3s2)CC(C)(C)C1 ZINC000344080174 1121076544 /nfs/dbraw/zinc/07/65/44/1121076544.db2.gz YRNPEZCKPYKFFP-LLVKDONJSA-N 0 1 275.421 3.559 20 0 CHADMN Cc1nc([C@H](C)N[C@H]2C[C@@H](OCC(C)C)C2(C)C)cs1 ZINC000344090409 1121079723 /nfs/dbraw/zinc/07/97/23/1121079723.db2.gz BUOHZYFUQXCREH-TUKIKUTGSA-N 0 1 296.480 3.942 20 0 CHADMN CSc1cccc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000660562999 1121081395 /nfs/dbraw/zinc/08/13/95/1121081395.db2.gz JALLGDZUAFVERZ-HZPDHXFCSA-N 0 1 291.460 3.798 20 0 CHADMN COc1cc(C)ccc1[C@H](C)N[C@H](c1ccccc1)[C@H](C)O ZINC000658359689 1121090651 /nfs/dbraw/zinc/09/06/51/1121090651.db2.gz DYYRNOCWYMWBMF-DOXZYTNZSA-N 0 1 299.414 3.776 20 0 CHADMN COc1cc(C)ccc1[C@H](C)N[C@@H](c1ccccc1)[C@@H](C)O ZINC000658359693 1121092273 /nfs/dbraw/zinc/09/22/73/1121092273.db2.gz DYYRNOCWYMWBMF-QMTMVMCOSA-N 0 1 299.414 3.776 20 0 CHADMN C[C@H](O)[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000658359667 1121092754 /nfs/dbraw/zinc/09/27/54/1121092754.db2.gz DYJQXSVDFHSNFW-NVGCLXPQSA-N 0 1 291.341 3.738 20 0 CHADMN COCc1cccc(CNCc2ccc([C@H]3C[C@H]3C)o2)c1 ZINC000038010431 1121094393 /nfs/dbraw/zinc/09/43/93/1121094393.db2.gz QWUNANCOHZRJMR-DYVFJYSZSA-N 0 1 285.387 3.839 20 0 CHADMN C[C@@H](NCCF)c1ccc(Br)c(Cl)c1 ZINC000658003736 1121094710 /nfs/dbraw/zinc/09/47/10/1121094710.db2.gz PHEWRNGMFZTLTE-SSDOTTSWSA-N 0 1 280.568 3.723 20 0 CHADMN C[C@@H](NCCC(F)(F)F)c1cccc(F)c1F ZINC000223942453 1121096316 /nfs/dbraw/zinc/09/63/16/1121096316.db2.gz WKVDOOPMIUYUEA-SSDOTTSWSA-N 0 1 253.214 3.568 20 0 CHADMN C[C@H](NCCC(F)(F)F)c1cccc(F)c1F ZINC000223942502 1121097406 /nfs/dbraw/zinc/09/74/06/1121097406.db2.gz WKVDOOPMIUYUEA-ZETCQYMHSA-N 0 1 253.214 3.568 20 0 CHADMN Cc1cc(C(=O)CN2CC[C@H](c3cccc(C)c3)C2)c(C)[nH]1 ZINC000344148790 1121104104 /nfs/dbraw/zinc/10/41/04/1121104104.db2.gz JFNAAIGFXXMSKT-KRWDZBQOSA-N 0 1 296.414 3.612 20 0 CHADMN Cc1cc(C)nc(Nc2ccc3occc(=O)c3c2)c1 ZINC001174938966 1121104714 /nfs/dbraw/zinc/10/47/14/1121104714.db2.gz IAYIWWWBNZTCOZ-UHFFFAOYSA-N 0 1 266.300 3.548 20 0 CHADMN CCCCCC[C@H](C)C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001127684941 1128962847 /nfs/dbraw/zinc/96/28/47/1128962847.db2.gz YTPHRWXNRBAWSK-ARFHVFGLSA-N 0 1 282.472 3.534 20 0 CHADMN CCCCCC[C@H](C)C(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC001127684941 1128962851 /nfs/dbraw/zinc/96/28/51/1128962851.db2.gz YTPHRWXNRBAWSK-ARFHVFGLSA-N 0 1 282.472 3.534 20 0 CHADMN CC[C@@H]1CCCCN1CC(=O)Nc1ccc(C)cc1C ZINC000048418891 1121107550 /nfs/dbraw/zinc/10/75/50/1121107550.db2.gz GXBPIKLDVXVQCF-OAHLLOKOSA-N 0 1 274.408 3.506 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@@H](c3cc(C)cc(C)c3)C2)o1 ZINC000344166686 1121108250 /nfs/dbraw/zinc/10/82/50/1121108250.db2.gz NDUMVDJVABIUJT-LSDHHAIUSA-N 0 1 299.418 3.799 20 0 CHADMN C[C@H](NCc1ccc(OC(F)F)c(F)c1)c1ccncc1 ZINC000167951749 1121113303 /nfs/dbraw/zinc/11/33/03/1121113303.db2.gz QBRZWNFRLAMSTI-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN COc1ccc(CN[C@H]2CCCc3sccc32)o1 ZINC000893640962 1121115466 /nfs/dbraw/zinc/11/54/66/1121115466.db2.gz PUWBCNPUPZPZIH-LBPRGKRZSA-N 0 1 263.362 3.517 20 0 CHADMN CCn1cc([C@H](C)N[C@H](C)c2ccc(C(F)F)nc2)cn1 ZINC000658032826 1121122717 /nfs/dbraw/zinc/12/27/17/1121122717.db2.gz XJSNZGMDJSNNCY-MNOVXSKESA-N 0 1 294.349 3.647 20 0 CHADMN CCn1cc([C@@H](C)N[C@@H](C)c2ccc(C(F)F)nc2)cn1 ZINC000658032828 1121122824 /nfs/dbraw/zinc/12/28/24/1121122824.db2.gz XJSNZGMDJSNNCY-WDEREUQCSA-N 0 1 294.349 3.647 20 0 CHADMN C[C@H]1C[C@H](NCc2cn3ccccc3n2)c2ccccc21 ZINC000344224637 1121125301 /nfs/dbraw/zinc/12/53/01/1121125301.db2.gz QVJWVRDCIDXIKM-GUYCJALGSA-N 0 1 277.371 3.672 20 0 CHADMN Cc1noc([C@H](C)N2CC[C@@](C)(CCc3ccccc3)C2)n1 ZINC000674376036 1121126429 /nfs/dbraw/zinc/12/64/29/1121126429.db2.gz WBHJAIZSPLNOJU-KBXCAEBGSA-N 0 1 299.418 3.784 20 0 CHADMN Cc1cc(CCC(=O)N[C@@H](c2ccccc2)C(C)(C)C)n[nH]1 ZINC001626099008 1121126508 /nfs/dbraw/zinc/12/65/08/1121126508.db2.gz BSMFZPITPDBDJY-KRWDZBQOSA-N 0 1 299.418 3.554 20 0 CHADMN CCOc1cc(F)cc(Nc2cc(OC)c(C)cn2)c1 ZINC001175005453 1121128628 /nfs/dbraw/zinc/12/86/28/1121128628.db2.gz ATSVVVFXXDEBHK-UHFFFAOYSA-N 0 1 276.311 3.680 20 0 CHADMN CC[C@H](C)CN(C)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000171866871 1121132603 /nfs/dbraw/zinc/13/26/03/1121132603.db2.gz QVBSJLKDONBCGZ-LBPRGKRZSA-N 0 1 285.391 3.503 20 0 CHADMN CCc1ccc2nc(-c3ccc(-c4cc[nH]n4)o3)[nH]c2c1 ZINC000432501576 1121133842 /nfs/dbraw/zinc/13/38/42/1121133842.db2.gz FEKZXKCBYSWBRL-UHFFFAOYSA-N 0 1 278.315 3.775 20 0 CHADMN CC(C)CCc1noc(CN(CC(C)C)C(C)C)n1 ZINC000171883521 1121134467 /nfs/dbraw/zinc/13/44/67/1121134467.db2.gz QWQTZTMZLNCGGZ-UHFFFAOYSA-N 0 1 267.417 3.525 20 0 CHADMN CN(Cc1ccnn1C)C1c2ccccc2-c2ccccc21 ZINC000093686887 1128969653 /nfs/dbraw/zinc/96/96/53/1128969653.db2.gz UMYCAGJSTRPIPU-UHFFFAOYSA-N 0 1 289.382 3.622 20 0 CHADMN CCc1cc(CN2CCCC[C@@H]2c2ccccc2)on1 ZINC001203211654 1121153974 /nfs/dbraw/zinc/15/39/74/1121153974.db2.gz GBVXIRLZCGWLDO-QGZVFWFLSA-N 0 1 270.376 3.964 20 0 CHADMN COc1ccc(-c2cccc(CN3CC[C@@H](F)C3)c2)cc1 ZINC001138613378 1128966284 /nfs/dbraw/zinc/96/62/84/1128966284.db2.gz HDVJPSRDISSMSR-QGZVFWFLSA-N 0 1 285.362 3.906 20 0 CHADMN OCC[C@@H](NCc1sccc1Cl)c1cccs1 ZINC000785473339 1121157860 /nfs/dbraw/zinc/15/78/60/1121157860.db2.gz DNBQTCOSQRSQID-SNVBAGLBSA-N 0 1 287.837 3.676 20 0 CHADMN CC[C@@H](C)CCN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000658123360 1121167456 /nfs/dbraw/zinc/16/74/56/1121167456.db2.gz ZLIGSWKEBVBGFX-DOMZBBRYSA-N 0 1 275.371 3.664 20 0 CHADMN Clc1cccc(Cl)c1CN1CC[C@@H]2OCC[C@H]2C1 ZINC001203422748 1121167690 /nfs/dbraw/zinc/16/76/90/1121167690.db2.gz FRBJONNRZHMWIJ-HZMBPMFUSA-N 0 1 286.202 3.604 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H]2CCCC[C@H]2CC)n1 ZINC000163264807 1121176584 /nfs/dbraw/zinc/17/65/84/1121176584.db2.gz QTAMGWKWVXJWMD-JHJVBQTASA-N 0 1 297.468 3.942 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H]2CCCC[C@@H]2CC)n1 ZINC000163264926 1121177130 /nfs/dbraw/zinc/17/71/30/1121177130.db2.gz QTAMGWKWVXJWMD-FRRDWIJNSA-N 0 1 297.468 3.942 20 0 CHADMN CC1(C)CCCN(Cc2cnc(Cl)s2)CC1 ZINC000086776958 1121181342 /nfs/dbraw/zinc/18/13/42/1121181342.db2.gz BEHDPDYADINBIU-UHFFFAOYSA-N 0 1 258.818 3.809 20 0 CHADMN C[C@H](NCCC1CCC1)c1nc(Cc2ccccc2)no1 ZINC000674868874 1121190140 /nfs/dbraw/zinc/19/01/40/1121190140.db2.gz XKIXYZZFZLVPIY-ZDUSSCGKSA-N 0 1 285.391 3.501 20 0 CHADMN C[C@H]1CN(CCCOC(C)(C)C)C[C@@H](c2ccccc2)O1 ZINC000674905197 1121194722 /nfs/dbraw/zinc/19/47/22/1121194722.db2.gz LIJFLNQTPRKFKC-RDJZCZTQSA-N 0 1 291.435 3.654 20 0 CHADMN Cc1noc([C@@H](C)N[C@@H](C)CCC2CCCCC2)n1 ZINC000360069596 1121200168 /nfs/dbraw/zinc/20/01/68/1121200168.db2.gz QOPOMUBHSLUNEL-NWDGAFQWSA-N 0 1 265.401 3.778 20 0 CHADMN C[C@H]1CN(Cc2cccc3nsnc32)[C@H]1c1ccccc1 ZINC000766085284 1121204677 /nfs/dbraw/zinc/20/46/77/1121204677.db2.gz RZDPOBTYMKUBIB-YVEFUNNKSA-N 0 1 295.411 3.884 20 0 CHADMN CC(C)C1CCC(N(C)C(=O)c2cnc(C3CC3)[nH]2)CC1 ZINC000432554747 1121206030 /nfs/dbraw/zinc/20/60/30/1121206030.db2.gz SYNCOIJPSAZETE-UHFFFAOYSA-N 0 1 289.423 3.574 20 0 CHADMN Fc1ccccc1CNCc1cccc(C2CC2)c1 ZINC000094517844 1121209923 /nfs/dbraw/zinc/20/99/23/1121209923.db2.gz INQOJJANEDYVAQ-UHFFFAOYSA-N 0 1 255.336 3.993 20 0 CHADMN COc1ccccc1CNCc1ccc(C2CC2)cc1 ZINC000094517627 1121210145 /nfs/dbraw/zinc/21/01/45/1121210145.db2.gz ZJXFZOSTGWKOMY-UHFFFAOYSA-N 0 1 267.372 3.862 20 0 CHADMN CCOc1ccc(Nc2cc(OC)ccn2)cc1C ZINC001175166445 1121212255 /nfs/dbraw/zinc/21/22/55/1121212255.db2.gz LWWPXDPFCISEQV-UHFFFAOYSA-N 0 1 258.321 3.541 20 0 CHADMN CC(C)CCN(C)CC(=O)Nc1cccc2ccccc21 ZINC000675052280 1121212867 /nfs/dbraw/zinc/21/28/67/1121212867.db2.gz LEMNKMBEVYLSBX-UHFFFAOYSA-N 0 1 284.403 3.756 20 0 CHADMN CCc1noc(C)c1CN1CCCc2sccc2C1 ZINC000675124471 1121218411 /nfs/dbraw/zinc/21/84/11/1121218411.db2.gz UGUYQAPZGXJIRP-UHFFFAOYSA-N 0 1 276.405 3.555 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(F)c(C)c1 ZINC001175252712 1121222205 /nfs/dbraw/zinc/22/22/05/1121222205.db2.gz HBTPDDLAJWGUIP-UHFFFAOYSA-N 0 1 273.286 3.973 20 0 CHADMN CC[C@@H](NCc1c(C2CC2)cnn1C)c1ccccc1F ZINC000658213081 1121225224 /nfs/dbraw/zinc/22/52/24/1121225224.db2.gz OKCJVHRWKVNEIO-MRXNPFEDSA-N 0 1 287.382 3.678 20 0 CHADMN Cc1conc1CN1CC[C@H](c2cccc(F)c2)C1(C)C ZINC001175219879 1121228477 /nfs/dbraw/zinc/22/84/77/1121228477.db2.gz NSTQHPSPIXFKQM-OAHLLOKOSA-N 0 1 288.366 3.890 20 0 CHADMN Oc1ccc2c(c1)[C@H](N[C@H]1CCCc3occc31)CC2 ZINC000658234427 1121240188 /nfs/dbraw/zinc/24/01/88/1121240188.db2.gz AEDYQBJRUZMYKP-JKSUJKDBSA-N 0 1 269.344 3.640 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H]2CCc3ccc(O)cc32)o1 ZINC000658238858 1121244274 /nfs/dbraw/zinc/24/42/74/1121244274.db2.gz LJULMCUJPOMIOK-ABAIWWIYSA-N 0 1 257.333 3.632 20 0 CHADMN Cc1ccncc1CN[C@H](C)c1cc2ccccc2o1 ZINC000123233495 1121263276 /nfs/dbraw/zinc/26/32/76/1121263276.db2.gz GUZMJPQVQCIMSN-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN CC(=O)c1ccc(F)c(Nc2ccnc(Cl)c2O)c1 ZINC001175271288 1121271401 /nfs/dbraw/zinc/27/14/01/1121271401.db2.gz BPXUVMWGYQGXDT-UHFFFAOYSA-N 0 1 280.686 3.526 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCCN1Cc1nc(C(C)(C)C)cs1 ZINC000123721071 1121271522 /nfs/dbraw/zinc/27/15/22/1121271522.db2.gz NTZYYPVLGADDRT-OLZOCXBDSA-N 0 1 296.480 3.566 20 0 CHADMN OCc1ccc(CN[C@H](c2ccc(Cl)cc2)C2CC2)o1 ZINC000174243704 1121277259 /nfs/dbraw/zinc/27/72/59/1121277259.db2.gz BNXQZYCFPJFYLD-INIZCTEOSA-N 0 1 291.778 3.666 20 0 CHADMN Cc1cc[nH+]c(C)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175315790 1121280255 /nfs/dbraw/zinc/28/02/55/1121280255.db2.gz GLDCLAHIJWDCBB-UHFFFAOYSA-N 0 1 276.723 3.794 20 0 CHADMN CC[NH+](CC)c1ccc(Nc2cccc(C(=O)[O-])c2)cc1 ZINC001175330715 1121286495 /nfs/dbraw/zinc/28/64/95/1121286495.db2.gz PTNNUTJVKVUFAE-UHFFFAOYSA-N 0 1 284.359 3.975 20 0 CHADMN CC[C@@H]1C[C@]1(NCc1cccc(OC)n1)c1cccc(C)c1 ZINC000500514691 1121294049 /nfs/dbraw/zinc/29/40/49/1121294049.db2.gz PUZGTAVBHXTUJT-DNVCBOLYSA-N 0 1 296.414 3.814 20 0 CHADMN C[N@H+](Cc1ccc(F)c(Cl)c1Cl)C[C@@H]1CCOC1 ZINC000432722877 1121296123 /nfs/dbraw/zinc/29/61/23/1121296123.db2.gz PSBBFXCFZDKFOG-VIFPVBQESA-N 0 1 292.181 3.601 20 0 CHADMN CN(Cc1ccc(F)c(Cl)c1Cl)C[C@@H]1CCOC1 ZINC000432722877 1121296126 /nfs/dbraw/zinc/29/61/26/1121296126.db2.gz PSBBFXCFZDKFOG-VIFPVBQESA-N 0 1 292.181 3.601 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2nc3ccc(F)cc3s2)C1 ZINC000432738835 1121305309 /nfs/dbraw/zinc/30/53/09/1121305309.db2.gz NERIHNZTZWHZJE-GHMZBOCLSA-N 0 1 278.396 3.913 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1ccc(Cl)nc1Cl ZINC000235042358 1121314479 /nfs/dbraw/zinc/31/44/79/1121314479.db2.gz QMNYVPLQHHKUNM-SECBINFHSA-N 0 1 293.263 3.962 20 0 CHADMN Clc1ccc(CNCc2ccc(Cl)cn2)cc1 ZINC000703905723 1121322509 /nfs/dbraw/zinc/32/25/09/1121322509.db2.gz JSHFUGDUXNUYIM-UHFFFAOYSA-N 0 1 267.159 3.678 20 0 CHADMN Clc1ccc(CNCc2cccc(Cl)c2)nc1 ZINC000703906855 1121322998 /nfs/dbraw/zinc/32/29/98/1121322998.db2.gz URWYSPTXMQSKQE-UHFFFAOYSA-N 0 1 267.159 3.678 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2c(F)ccc(O)c2F)C1 ZINC000512411481 1121323237 /nfs/dbraw/zinc/32/32/37/1121323237.db2.gz YQCQCMHGCFRQMR-JTQLQIEISA-N 0 1 269.335 3.538 20 0 CHADMN Clc1cncc(Cl)c1CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC001175437329 1121324712 /nfs/dbraw/zinc/32/47/12/1121324712.db2.gz VRTJEKKDMFSDEX-PHIMTYICSA-N 0 1 283.202 3.786 20 0 CHADMN CCCCC[C@@H]1CCCCN1Cc1ncc(C)cn1 ZINC000662157253 1121329621 /nfs/dbraw/zinc/32/96/21/1121329621.db2.gz VFBVCVIMZSUYKJ-OAHLLOKOSA-N 0 1 261.413 3.720 20 0 CHADMN Cc1ccc2cc(CN[C@H](C)c3ccccn3)ccc2n1 ZINC000097861309 1121329993 /nfs/dbraw/zinc/32/99/93/1121329993.db2.gz JYLRARXYIBROBI-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN COc1ccc(Nc2ccc3[nH]c(C)nc3c2)c(C(C)=O)c1 ZINC001213077310 1121333384 /nfs/dbraw/zinc/33/33/84/1121333384.db2.gz QZGDICKPEBFDIN-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN CCn1nccc1CN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000125075347 1121339419 /nfs/dbraw/zinc/33/94/19/1121339419.db2.gz UFGNBAHPNLZISR-LLVKDONJSA-N 0 1 297.324 3.773 20 0 CHADMN COc1ccc(OC)c(CN[C@H]2CCc3ccc(C)cc32)c1 ZINC000675736084 1121345916 /nfs/dbraw/zinc/34/59/16/1121345916.db2.gz ZVWMIPCVUMBIOR-SFHVURJKSA-N 0 1 297.398 3.789 20 0 CHADMN Cc1ncccc1CN[C@H](CC(C)C)c1ccccn1 ZINC000675763321 1121351400 /nfs/dbraw/zinc/35/14/00/1121351400.db2.gz JYFQXVDRMGAKSV-QGZVFWFLSA-N 0 1 269.392 3.662 20 0 CHADMN Cc1csc(N=C2CCN(Cc3ccccc3)CC2)n1 ZINC001175505518 1121351949 /nfs/dbraw/zinc/35/19/49/1121351949.db2.gz PTIOTIZYGAEURA-UHFFFAOYSA-N 0 1 285.416 3.653 20 0 CHADMN FC(F)c1ccc(CN[C@H]2CCCc3occc32)cn1 ZINC000631039378 1128979724 /nfs/dbraw/zinc/97/97/24/1128979724.db2.gz HUQJDHPTJLPRJC-LBPRGKRZSA-N 0 1 278.302 3.779 20 0 CHADMN Cc1cc(NC[C@H](C)c2ccncc2)c2cc(F)ccc2n1 ZINC000675795233 1121359941 /nfs/dbraw/zinc/35/99/41/1121359941.db2.gz PALRTTQXRMBIQB-LBPRGKRZSA-N 0 1 295.361 3.715 20 0 CHADMN C[C@H](N[C@@H]1CSCc2ccccc21)c1cncs1 ZINC000675782500 1121361029 /nfs/dbraw/zinc/36/10/29/1121361029.db2.gz HHOJMOHZZZPCFT-GXFFZTMASA-N 0 1 276.430 3.782 20 0 CHADMN CN(CCN1CC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000674753520 1121362217 /nfs/dbraw/zinc/36/22/17/1121362217.db2.gz UYZCKPJVDRBMQD-SFHVURJKSA-N 0 1 284.378 3.709 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cn2c(cccc2Cl)n1 ZINC001175522906 1121362044 /nfs/dbraw/zinc/36/20/44/1121362044.db2.gz ALBYSUVIKCPFTA-UHFFFAOYSA-N 0 1 297.749 3.916 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(Cl)ncc1C ZINC001175524273 1121362226 /nfs/dbraw/zinc/36/22/26/1121362226.db2.gz QQBWYKPXSAPYKH-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccnc1OC(F)F ZINC001175523801 1121362851 /nfs/dbraw/zinc/36/28/51/1121362851.db2.gz NFTLMSIPIMQFLZ-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1cc2c(ncnc2Nc2c3cn[nH]c3ccc2C)s1 ZINC001175524280 1121362974 /nfs/dbraw/zinc/36/29/74/1121362974.db2.gz AULNDSDFMGDWKC-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1ccc(O)cc1 ZINC000675801714 1121363546 /nfs/dbraw/zinc/36/35/46/1121363546.db2.gz BYDDMOWHVVUWAB-GFCCVEGCSA-N 0 1 287.407 3.503 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@@H](C)c1sccc1C ZINC000675808714 1121365517 /nfs/dbraw/zinc/36/55/17/1121365517.db2.gz RMSDVTVDQFKEEO-ZDUSSCGKSA-N 0 1 290.432 3.928 20 0 CHADMN COCCOc1cccc(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175525463 1121366010 /nfs/dbraw/zinc/36/60/10/1121366010.db2.gz DCPKPCZNFBXNOF-UHFFFAOYSA-N 0 1 297.358 3.640 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cncc(Cl)c1 ZINC001175525514 1121366533 /nfs/dbraw/zinc/36/65/33/1121366533.db2.gz KYQNRLNICBIYRH-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2nsnc21 ZINC001175526630 1121367697 /nfs/dbraw/zinc/36/76/97/1121367697.db2.gz WGYOIWWZVZIEFH-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN COc1cc(C)ccc1Nc1c2cn[nH]c2ccc1C ZINC001175526687 1121368400 /nfs/dbraw/zinc/36/84/00/1121368400.db2.gz ZQLZCXQYIFCOFQ-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1nccnc1C(C)C ZINC001175526679 1121368623 /nfs/dbraw/zinc/36/86/23/1121368623.db2.gz ZELDPUFEXMRXLT-UHFFFAOYSA-N 0 1 267.336 3.528 20 0 CHADMN CCc1ccc(N)c(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175527552 1121371158 /nfs/dbraw/zinc/37/11/58/1121371158.db2.gz OGFZHZAZQAHSJV-UHFFFAOYSA-N 0 1 266.348 3.760 20 0 CHADMN COc1cccc([C@H](C)NCc2ccc(C(F)F)nc2)c1 ZINC000631048467 1128981197 /nfs/dbraw/zinc/98/11/97/1128981197.db2.gz XTTOTNYYBLLDRF-NSHDSACASA-N 0 1 292.329 3.879 20 0 CHADMN CC[C@@H](N[C@@H]1COc2c1cccc2Cl)c1ccncc1 ZINC000675900641 1121379602 /nfs/dbraw/zinc/37/96/02/1121379602.db2.gz GHDAVQOJXUXZNV-HUUCEWRRSA-N 0 1 288.778 3.909 20 0 CHADMN CCCOc1cccc(Nc2ccnn2-c2ccncc2)c1 ZINC001175600249 1121381313 /nfs/dbraw/zinc/38/13/13/1121381313.db2.gz AHOXGVZJPRCKGF-UHFFFAOYSA-N 0 1 294.358 3.800 20 0 CHADMN CCCOC1CCN(Cc2cc(C(C)(C)C)c[nH]2)CC1 ZINC001249479124 1121382698 /nfs/dbraw/zinc/38/26/98/1121382698.db2.gz PRGPSTUNGOMWMU-UHFFFAOYSA-N 0 1 278.440 3.703 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1ccc(C(F)F)nc1 ZINC000631054846 1128981767 /nfs/dbraw/zinc/98/17/67/1128981767.db2.gz XPSLKQKBUIBQOM-AWEZNQCLSA-N 0 1 292.304 3.935 20 0 CHADMN CCCOc1cccc(Nc2cc(OC)c(C)cn2)c1 ZINC001175600965 1121383111 /nfs/dbraw/zinc/38/31/11/1121383111.db2.gz RNWDXYQPLFNSRA-UHFFFAOYSA-N 0 1 272.348 3.931 20 0 CHADMN C[C@H]1C[C@H](Nc2cnn(-c3ccncc3)c2)c2ccccc21 ZINC000675905706 1121387316 /nfs/dbraw/zinc/38/73/16/1121387316.db2.gz DASJEHUBZJHDGN-UGSOOPFHSA-N 0 1 290.370 3.928 20 0 CHADMN Cn1ccnc1[C@@H](NC[C@H]1CC=CCC1)c1cccc(F)c1 ZINC000237898838 1121393134 /nfs/dbraw/zinc/39/31/34/1121393134.db2.gz XFDBIILXXMQCQJ-YOEHRIQHSA-N 0 1 299.393 3.595 20 0 CHADMN C[C@H]1CN(CC2(C)CCC2)C[C@H](c2ccc(F)cc2)O1 ZINC000432828529 1121394152 /nfs/dbraw/zinc/39/41/52/1121394152.db2.gz KYADRXOUAVCERF-XJKSGUPXSA-N 0 1 277.383 3.778 20 0 CHADMN Cc1nc2cc(NC3=CCCN(C)C3)c(C)cc2s1 ZINC001175577933 1121396446 /nfs/dbraw/zinc/39/64/46/1121396446.db2.gz GGKVIQAVMQFWOZ-UHFFFAOYSA-N 0 1 273.405 3.544 20 0 CHADMN Cc1cc(Br)c(F)cc1NC1=CCCN(C)C1 ZINC001175577980 1121397325 /nfs/dbraw/zinc/39/73/25/1121397325.db2.gz AYYFOOIQRBBUEV-UHFFFAOYSA-N 0 1 299.187 3.528 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1nc2ccccc2c(=O)[nH]1 ZINC000676041280 1121399979 /nfs/dbraw/zinc/39/99/79/1121399979.db2.gz CWRFDBVQNPNCQI-AWEZNQCLSA-N 0 1 299.418 3.880 20 0 CHADMN CCc1cc(N[C@H](c2nnc[nH]2)c2ccccc2)ccc1F ZINC000676043899 1121400440 /nfs/dbraw/zinc/40/04/40/1121400440.db2.gz YNZNRDXINXPZNA-INIZCTEOSA-N 0 1 296.349 3.708 20 0 CHADMN COc1cncc(CN[C@H](c2ncccc2C)C(C)C)c1C ZINC000631073583 1128983004 /nfs/dbraw/zinc/98/30/04/1128983004.db2.gz MUGJXNUSAQVUQT-KRWDZBQOSA-N 0 1 299.418 3.589 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccc(C(F)F)nc1)CC2 ZINC000631067075 1128983206 /nfs/dbraw/zinc/98/32/06/1128983206.db2.gz HBWRQGAZZXJRDU-AWEZNQCLSA-N 0 1 292.304 3.935 20 0 CHADMN CC[C@H](CN(Cc1ccco1)Cc1ccccc1)OC ZINC000419181652 1121409122 /nfs/dbraw/zinc/40/91/22/1121409122.db2.gz GIKVGKJNPFRGJC-MRXNPFEDSA-N 0 1 273.376 3.707 20 0 CHADMN CCCc1cc(Nc2ccc3n[nH]c(C)c3c2)on1 ZINC001175693076 1121414456 /nfs/dbraw/zinc/41/44/56/1121414456.db2.gz YHKJHADCVWYWRB-UHFFFAOYSA-N 0 1 256.309 3.555 20 0 CHADMN Cc1[nH]nc2ccc(Nc3nccc4cnccc43)cc21 ZINC001175694685 1121415261 /nfs/dbraw/zinc/41/52/61/1121415261.db2.gz UPFKHRUCXYOHHO-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN CC[C@H]1CO[C@@H](C)C[N@H+]1CCCOc1cc(C)cc(C)c1 ZINC000676227698 1121415292 /nfs/dbraw/zinc/41/52/92/1121415292.db2.gz OJBWTRVMHJKYSE-IRXDYDNUSA-N 0 1 291.435 3.572 20 0 CHADMN CC[C@H]1CO[C@@H](C)CN1CCCOc1cc(C)cc(C)c1 ZINC000676227698 1121415296 /nfs/dbraw/zinc/41/52/96/1121415296.db2.gz OJBWTRVMHJKYSE-IRXDYDNUSA-N 0 1 291.435 3.572 20 0 CHADMN COc1cc(C(C)=O)ccc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175699156 1121415882 /nfs/dbraw/zinc/41/58/82/1121415882.db2.gz JULGFJUFOHIOQK-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@@H]1C(=O)[O-] ZINC000314160008 1121417752 /nfs/dbraw/zinc/41/77/52/1121417752.db2.gz OTSTUQDQHZONOO-CJNGLKHVSA-N 0 1 289.419 3.527 20 0 CHADMN COc1ccc(OC)c(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175699756 1121417751 /nfs/dbraw/zinc/41/77/51/1121417751.db2.gz RBZFNBVKIKPNRY-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN CCc1ccc(O)c(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175700631 1121417764 /nfs/dbraw/zinc/41/77/64/1121417764.db2.gz PPZWYBIVFVSGEA-UHFFFAOYSA-N 0 1 267.332 3.883 20 0 CHADMN CC(=O)c1ccccc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175700343 1121417802 /nfs/dbraw/zinc/41/78/02/1121417802.db2.gz KHLLRRBMPFGBHN-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN COC(=O)c1ccc(C)c(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175700462 1121417823 /nfs/dbraw/zinc/41/78/23/1121417823.db2.gz LLCRCLMEJCJNDL-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1[nH]nc2ccc(Nc3scnc3C3CC3)cc12 ZINC001175699961 1121418018 /nfs/dbraw/zinc/41/80/18/1121418018.db2.gz YVXXDCPHNWJAKI-UHFFFAOYSA-N 0 1 270.361 3.949 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4nnsc43)cc21 ZINC001175701861 1121419460 /nfs/dbraw/zinc/41/94/60/1121419460.db2.gz IFVBCZMIPWWKNW-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4c(c3)ncn4C)cc12 ZINC001175700766 1121419763 /nfs/dbraw/zinc/41/97/63/1121419763.db2.gz WRQZACNMGDBLJZ-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(O)cc(Cl)c3)cc12 ZINC001175702114 1121421031 /nfs/dbraw/zinc/42/10/31/1121421031.db2.gz LCCKNTPAOGZRLT-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN COc1c(C)ccc(NCc2[nH]nc3ccccc32)c1C ZINC000676316340 1121423019 /nfs/dbraw/zinc/42/30/19/1121423019.db2.gz ZAXYJKZNYVBXIU-UHFFFAOYSA-N 0 1 281.359 3.800 20 0 CHADMN Cc1[nH]nc2cc(Nc3nccc4cnccc43)ccc21 ZINC001175657813 1121423372 /nfs/dbraw/zinc/42/33/72/1121423372.db2.gz ZPIUORYTJOKEID-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1[nH]nc2cc(Nc3c(C)ccnc3Cl)ccc12 ZINC001175658985 1121423548 /nfs/dbraw/zinc/42/35/48/1121423548.db2.gz CBOGHRPRNADVMV-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN COc1cc(Nc2ccc3c(C)[nH]nc3c2)cc(Cl)n1 ZINC001175659444 1121423646 /nfs/dbraw/zinc/42/36/46/1121423646.db2.gz BIISGZCWUHYMKC-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN COc1ccccc1Nc1ccc2c(c1)n[nH]c2C ZINC001175661377 1121424401 /nfs/dbraw/zinc/42/44/01/1121424401.db2.gz IWHFPJHZQMVZFK-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cc1[nH]nc2cc(Nc3nc4c(s3)C(=O)CCC4)ccc12 ZINC001175659555 1121424476 /nfs/dbraw/zinc/42/44/76/1121424476.db2.gz MPRNOEDFJNFDIS-UHFFFAOYSA-N 0 1 298.371 3.590 20 0 CHADMN COc1cccc(Nc2ccc3c(c2)n[nH]c3C)c1OC ZINC001175661835 1121425934 /nfs/dbraw/zinc/42/59/34/1121425934.db2.gz VGHRYJBGIAIMRL-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN COc1ccc(Nc2ccc3c(C)[nH]nc3c2)cc1F ZINC001175661812 1121426258 /nfs/dbraw/zinc/42/62/58/1121426258.db2.gz SYGJKIRBCOIOIW-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN CCc1ccc(N)c(Nc2ccc3c(C)[nH]nc3c2)c1 ZINC001175663514 1121427286 /nfs/dbraw/zinc/42/72/86/1121427286.db2.gz GIJRCNVECJLTCH-UHFFFAOYSA-N 0 1 266.348 3.760 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4c3OCCC4)ccc21 ZINC001175663049 1121427663 /nfs/dbraw/zinc/42/76/63/1121427663.db2.gz QPBKPLCEVGBYPC-UHFFFAOYSA-N 0 1 279.343 3.940 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4ncncc4c3)ccc21 ZINC001175662935 1121427699 /nfs/dbraw/zinc/42/76/99/1121427699.db2.gz KMGOTUZIYRXEHY-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(N)ccc3C)ccc12 ZINC001175662789 1121427877 /nfs/dbraw/zinc/42/78/77/1121427877.db2.gz DDFUACSXWSSOFN-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(C)ccc3CCCO)ccc12 ZINC001175663258 1121427898 /nfs/dbraw/zinc/42/78/98/1121427898.db2.gz WMXUDSBAQRIHOA-UHFFFAOYSA-N 0 1 295.386 3.848 20 0 CHADMN Cc1[nH]nc2cc(N3CCCc4cccc(N)c43)ccc12 ZINC001175662756 1121427999 /nfs/dbraw/zinc/42/79/99/1121427999.db2.gz CCKOOAXUPMTLAA-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN CCOc1ccc2nc(SCc3ccc(C)cn3)[nH]c2c1 ZINC000676408743 1121430148 /nfs/dbraw/zinc/43/01/48/1121430148.db2.gz XEGRTAIWFZNXSE-UHFFFAOYSA-N 0 1 299.399 3.957 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc(O)c3C)cc12 ZINC001175703106 1121430737 /nfs/dbraw/zinc/43/07/37/1121430737.db2.gz XWIOBFFMJVWJJV-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN CN(Cc1cccc(O)c1)Cc1nccc2ccccc21 ZINC000676414659 1121433689 /nfs/dbraw/zinc/43/36/89/1121433689.db2.gz VKSIQAXSPANPBN-UHFFFAOYSA-N 0 1 278.355 3.572 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@H](C)c2nc(C)sc2C)C12CCC2 ZINC000676493110 1121436039 /nfs/dbraw/zinc/43/60/39/1121436039.db2.gz RSAZEUHNUUUTSA-DDTOSNHZSA-N 0 1 294.464 3.758 20 0 CHADMN Cc1c(Cl)ccc(CN(C)CC2CC(O)C2)c1Cl ZINC000893908564 1121440973 /nfs/dbraw/zinc/44/09/73/1121440973.db2.gz YRHFPSFSNXFBNH-UHFFFAOYSA-N 0 1 288.218 3.505 20 0 CHADMN Cc1n[nH]c(CN(C)[C@H](C)c2ccc(C)cc2)c1C ZINC000893931540 1121441182 /nfs/dbraw/zinc/44/11/82/1121441182.db2.gz QBSHNCBQZQOHIJ-CQSZACIVSA-N 0 1 257.381 3.528 20 0 CHADMN COc1ccc2[nH]c3c(c2c1)CCN(CCC(C)(C)C)C3 ZINC001175741381 1121445358 /nfs/dbraw/zinc/44/53/58/1121445358.db2.gz JYKKRNJVKVMYGR-UHFFFAOYSA-N 0 1 286.419 3.971 20 0 CHADMN Cc1n[nH]c(CN(C2CC2)[C@H]2CCc3ccccc32)c1C ZINC000893969548 1121447711 /nfs/dbraw/zinc/44/77/11/1121447711.db2.gz VHWWIXBWWVLQCH-SFHVURJKSA-N 0 1 281.403 3.678 20 0 CHADMN CC1CN(Cc2ccccc2OCc2ccccc2)C1 ZINC000549810286 1121451501 /nfs/dbraw/zinc/45/15/01/1121451501.db2.gz PPENMVCOPVKBML-UHFFFAOYSA-N 0 1 267.372 3.717 20 0 CHADMN Cc1noc2ncc(CN3CCc4ccccc4[C@H]3C)cc12 ZINC000894005910 1121453975 /nfs/dbraw/zinc/45/39/75/1121453975.db2.gz NRXITDUXSXSENR-CYBMUJFWSA-N 0 1 293.370 3.651 20 0 CHADMN COc1ccc(CNCc2ccc(C3CCC3)cc2)o1 ZINC000894023664 1121457031 /nfs/dbraw/zinc/45/70/31/1121457031.db2.gz LQWSLPNCSSPMSV-UHFFFAOYSA-N 0 1 271.360 3.846 20 0 CHADMN CCOc1ccc(CNC[C@H](OCC)c2ccccc2)o1 ZINC000894067018 1121464937 /nfs/dbraw/zinc/46/49/37/1121464937.db2.gz GNANQACBXXTKHF-INIZCTEOSA-N 0 1 289.375 3.546 20 0 CHADMN Cc1ccnc(NC[C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000432915182 1121476741 /nfs/dbraw/zinc/47/67/41/1121476741.db2.gz DFFMIOIQMUMJLQ-INIZCTEOSA-N 0 1 281.403 3.719 20 0 CHADMN Cc1ccnc(NC[C@H]2CCCN(c3ccccc3)C2)c1 ZINC000432915185 1121476874 /nfs/dbraw/zinc/47/68/74/1121476874.db2.gz DFFMIOIQMUMJLQ-MRXNPFEDSA-N 0 1 281.403 3.719 20 0 CHADMN Nc1nc2ccccc2n1-c1ccc(-c2cccnc2)cc1 ZINC001175888884 1121477825 /nfs/dbraw/zinc/47/78/25/1121477825.db2.gz RCHZFAHXPXMYDQ-UHFFFAOYSA-N 0 1 286.338 3.670 20 0 CHADMN CC(C)c1cccc(NC(=O)CN2C[C@@H](C)C[C@H](C)C2)c1 ZINC000028905102 1121481514 /nfs/dbraw/zinc/48/15/14/1121481514.db2.gz VVKQWXFWPSDCSB-GJZGRUSLSA-N 0 1 288.435 3.726 20 0 CHADMN Cc1cc(-c2noc([C@H]3CC[C@@H](C)C3)n2)cc2nc[nH]c21 ZINC000545725013 1121481555 /nfs/dbraw/zinc/48/15/55/1121481555.db2.gz WPCCWOQZYHSNGA-KOLCDFICSA-N 0 1 282.347 3.825 20 0 CHADMN CC(C)c1ccc(C[C@@H]2CCN(Cc3cocn3)C2)cc1 ZINC000432924780 1121482693 /nfs/dbraw/zinc/48/26/93/1121482693.db2.gz NSENVRHGRRFQCP-INIZCTEOSA-N 0 1 284.403 3.863 20 0 CHADMN C[C@H]1[C@H](C)N(Cc2csc(Cl)c2Cl)CCN1C ZINC000432924813 1121483138 /nfs/dbraw/zinc/48/31/38/1121483138.db2.gz OCPPETGXEKPORG-IUCAKERBSA-N 0 1 293.263 3.579 20 0 CHADMN CC(C)(C)C[C@H]1CCCN1Cc1nnc(C(C)(C)C)[nH]1 ZINC000432937546 1121488394 /nfs/dbraw/zinc/48/83/94/1121488394.db2.gz HWVLBZRBTGDIIN-GFCCVEGCSA-N 0 1 278.444 3.503 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000625774059 1121494111 /nfs/dbraw/zinc/49/41/11/1121494111.db2.gz AVPTYUBBWPIFAA-TUAOUCFPSA-N 0 1 283.387 3.996 20 0 CHADMN Cc1ccc(CNCc2nccc3ccccc32)cc1F ZINC000067121168 1121495467 /nfs/dbraw/zinc/49/54/67/1121495467.db2.gz DSCLKHVGPMZXEH-UHFFFAOYSA-N 0 1 280.346 3.972 20 0 CHADMN CC[C@H]1CCN1Cc1ccc(C)c(Br)c1 ZINC000429274395 1121498051 /nfs/dbraw/zinc/49/80/51/1121498051.db2.gz PDLGENCKDBTQOR-LBPRGKRZSA-N 0 1 268.198 3.742 20 0 CHADMN CCc1nocc1CN1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000508810705 1121498956 /nfs/dbraw/zinc/49/89/56/1121498956.db2.gz IUUKSLAFOBLCJB-YVEFUNNKSA-N 0 1 288.366 3.959 20 0 CHADMN CCc1onc(C)c1CNCc1ccc2nc(C)ccc2c1 ZINC000922982959 1121503875 /nfs/dbraw/zinc/50/38/75/1121503875.db2.gz HTWKJXHRMXFIEH-UHFFFAOYSA-N 0 1 295.386 3.692 20 0 CHADMN C[C@H](NCc1cccnc1)c1cc(Cl)cc2c1OCC2 ZINC000922986726 1121504952 /nfs/dbraw/zinc/50/49/52/1121504952.db2.gz KMUAUYFMRHBNKY-NSHDSACASA-N 0 1 288.778 3.521 20 0 CHADMN CCc1onc(C)c1CNCc1ccc(C(C)C)cc1 ZINC000922988717 1121505168 /nfs/dbraw/zinc/50/51/68/1121505168.db2.gz UMDNCVSFLMTTOT-UHFFFAOYSA-N 0 1 272.392 3.959 20 0 CHADMN O[C@@H]1CCc2ccccc2[C@@H]1NCc1sccc1Cl ZINC000922990510 1121506645 /nfs/dbraw/zinc/50/66/45/1121506645.db2.gz NMMYFYBSYQMSAJ-HIFRSBDPSA-N 0 1 293.819 3.540 20 0 CHADMN O[C@@H]1CCc2ccccc2[C@@H]1NCc1coc2ccccc12 ZINC000922991300 1121507585 /nfs/dbraw/zinc/50/75/85/1121507585.db2.gz WSWHVTTYMRZZAX-MJGOQNOKSA-N 0 1 293.366 3.571 20 0 CHADMN CCc1noc([C@H](C)N2C[C@H](c3ccccc3)C[C@H]2C)n1 ZINC000246739549 1121509918 /nfs/dbraw/zinc/50/99/18/1121509918.db2.gz IJINNIAHFSLOFV-VNHYZAJKSA-N 0 1 285.391 3.571 20 0 CHADMN C[C@]1(NCc2cncc(Cl)c2)CCOc2ccccc21 ZINC000923023447 1121513612 /nfs/dbraw/zinc/51/36/12/1121513612.db2.gz AOTULRJJRINEGE-INIZCTEOSA-N 0 1 288.778 3.523 20 0 CHADMN Cc1ccccc1-n1[nH]c(-c2ccc(Cl)cc2)cc1=O ZINC000614185278 1121513926 /nfs/dbraw/zinc/51/39/26/1121513926.db2.gz MDQBTPMFLSPCLS-UHFFFAOYSA-N 0 1 284.746 3.789 20 0 CHADMN COc1cc(Nc2cccc(-c3nnc(C)o3)c2)ncc1C ZINC001175994445 1121514463 /nfs/dbraw/zinc/51/44/63/1121514463.db2.gz ZLQSTJSEKTYEPI-UHFFFAOYSA-N 0 1 296.330 3.501 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H]2CCC(C)(C)CO2)c(C)s1 ZINC000711295160 1121515069 /nfs/dbraw/zinc/51/50/69/1121515069.db2.gz OLKHEAASXXDNMO-MFKMUULPSA-N 0 1 282.453 3.616 20 0 CHADMN CCCc1c(C)[nH]n(-c2cccc(Cl)c2C)c1=O ZINC000614188471 1121517768 /nfs/dbraw/zinc/51/77/68/1121517768.db2.gz CTUDCBZOVMFJHC-NSHDSACASA-N 0 1 264.756 3.787 20 0 CHADMN COC(=O)c1cccc(Cl)c1CN(C)[C@@H](C)C(C)C ZINC000509293347 1121518397 /nfs/dbraw/zinc/51/83/97/1121518397.db2.gz ICJWVRPHJFBZGY-NSHDSACASA-N 0 1 283.799 3.603 20 0 CHADMN c1ccc(-c2cccc(Nc3ccc4nn[nH]c4c3)n2)cc1 ZINC001175997975 1121518558 /nfs/dbraw/zinc/51/85/58/1121518558.db2.gz CUFJELDWWQISQP-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1ccc(-c2cccc(Nc3ccc4n[nH]nc4c3)n2)cc1 ZINC001175997975 1121518562 /nfs/dbraw/zinc/51/85/62/1121518562.db2.gz CUFJELDWWQISQP-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN CC[C@H](N[C@@H](C)c1cccc(C)c1C)c1ccn(C)n1 ZINC000544568281 1121518788 /nfs/dbraw/zinc/51/87/88/1121518788.db2.gz DSFRZDFBLZDJTR-HOCLYGCPSA-N 0 1 271.408 3.839 20 0 CHADMN Cc1cc(Cl)cc(Nc2ccc3nn[nH]c3c2)c1 ZINC001176002527 1121519070 /nfs/dbraw/zinc/51/90/70/1121519070.db2.gz OSOKRKJQRSLHLK-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1cc(Cl)cc(Nc2ccc3n[nH]nc3c2)c1 ZINC001176002527 1121519072 /nfs/dbraw/zinc/51/90/72/1121519072.db2.gz OSOKRKJQRSLHLK-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1cc(CC(C)C)ncc1Nc1ccc2nn[nH]c2c1 ZINC001176002548 1121519799 /nfs/dbraw/zinc/51/97/99/1121519799.db2.gz YGIATCYXSCADBB-UHFFFAOYSA-N 0 1 281.363 3.603 20 0 CHADMN Cc1cc(CC(C)C)ncc1Nc1ccc2n[nH]nc2c1 ZINC001176002548 1121519805 /nfs/dbraw/zinc/51/98/05/1121519805.db2.gz YGIATCYXSCADBB-UHFFFAOYSA-N 0 1 281.363 3.603 20 0 CHADMN Fc1ccc2cc(Nc3ccc4nn[nH]c4c3)ccc2c1 ZINC001176005469 1121521326 /nfs/dbraw/zinc/52/13/26/1121521326.db2.gz ZNMDFIHNQGZJGZ-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Fc1ccc2cc(Nc3ccc4n[nH]nc4c3)ccc2c1 ZINC001176005469 1121521332 /nfs/dbraw/zinc/52/13/32/1121521332.db2.gz ZNMDFIHNQGZJGZ-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Cc1cc(Nc2ccc3nn[nH]c3c2)cc(C)c1C ZINC001176004878 1121521776 /nfs/dbraw/zinc/52/17/76/1121521776.db2.gz QFQILNPEUWDOFR-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN Cc1cc(Nc2ccc3n[nH]nc3c2)cc(C)c1C ZINC001176004878 1121521780 /nfs/dbraw/zinc/52/17/80/1121521780.db2.gz QFQILNPEUWDOFR-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN Fc1ccc(C(F)(F)F)c(Nc2ccc3nn[nH]c3c2)c1 ZINC001176003755 1121521944 /nfs/dbraw/zinc/52/19/44/1121521944.db2.gz HHJPQXJDNOWISM-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Fc1ccc(C(F)(F)F)c(Nc2ccc3n[nH]nc3c2)c1 ZINC001176003755 1121521950 /nfs/dbraw/zinc/52/19/50/1121521950.db2.gz HHJPQXJDNOWISM-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Clc1nccc2c(Nc3ccc4nn[nH]c4c3)cccc12 ZINC001176003962 1121522124 /nfs/dbraw/zinc/52/21/24/1121522124.db2.gz KXVBHAXDQLWHRI-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1nccc2c(Nc3ccc4n[nH]nc4c3)cccc12 ZINC001176003962 1121522131 /nfs/dbraw/zinc/52/21/31/1121522131.db2.gz KXVBHAXDQLWHRI-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN FC(F)(F)c1ccc(Nc2ccc3nn[nH]c3c2)cc1 ZINC001176005121 1121522438 /nfs/dbraw/zinc/52/24/38/1121522438.db2.gz BEHVMQFTOWRWEG-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN FC(F)(F)c1ccc(Nc2ccc3n[nH]nc3c2)cc1 ZINC001176005121 1121522442 /nfs/dbraw/zinc/52/24/42/1121522442.db2.gz BEHVMQFTOWRWEG-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN Cc1cc(F)c(Nc2ccc3nn[nH]c3c2)cc1Cl ZINC001176003099 1121522696 /nfs/dbraw/zinc/52/26/96/1121522696.db2.gz MMXGSGGJGNTBAU-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1cc(F)c(Nc2ccc3n[nH]nc3c2)cc1Cl ZINC001176003099 1121522702 /nfs/dbraw/zinc/52/27/02/1121522702.db2.gz MMXGSGGJGNTBAU-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN C[C@@H](Cc1ccsc1)NCc1nc2cc(F)ccc2o1 ZINC000634955182 1121524983 /nfs/dbraw/zinc/52/49/83/1121524983.db2.gz AEYOYUGGXSUABN-JTQLQIEISA-N 0 1 290.363 3.749 20 0 CHADMN CC(C)Cc1noc(CN2CCCC[C@H]2CC(C)C)n1 ZINC000466676020 1121532596 /nfs/dbraw/zinc/53/25/96/1121532596.db2.gz KMHBPGNFMQNEKE-AWEZNQCLSA-N 0 1 279.428 3.669 20 0 CHADMN CC[C@@H](CN(C)CC(=O)Nc1ccccc1)c1ccccc1 ZINC000509332363 1121532929 /nfs/dbraw/zinc/53/29/29/1121532929.db2.gz SPUMCEZXJSUEFR-INIZCTEOSA-N 0 1 296.414 3.751 20 0 CHADMN FC(F)(F)Oc1cccc(Cl)c1Nc1ncc[nH]1 ZINC001176083823 1121533977 /nfs/dbraw/zinc/53/39/77/1121533977.db2.gz FMTWPHVOOUAZJU-UHFFFAOYSA-N 0 1 277.633 3.705 20 0 CHADMN Cc1ccc(Nc2noc(C(C)(C)C)n2)c(F)c1F ZINC001176091732 1121536716 /nfs/dbraw/zinc/53/67/16/1121536716.db2.gz UJCPTNLPCWSRKY-UHFFFAOYSA-N 0 1 267.279 3.697 20 0 CHADMN Cc1nocc1CNCc1ccc(C2CCCC2)cc1 ZINC000631208946 1128992154 /nfs/dbraw/zinc/99/21/54/1128992154.db2.gz OPALFPBNUXKSQJ-UHFFFAOYSA-N 0 1 270.376 3.930 20 0 CHADMN CN(CCc1ccc(Cl)cc1)Cc1cn2ccccc2n1 ZINC000512702025 1121541228 /nfs/dbraw/zinc/54/12/28/1121541228.db2.gz ZAPLTHVFUQQQCC-UHFFFAOYSA-N 0 1 299.805 3.662 20 0 CHADMN Clc1cnc(Cl)c(Cl)c1N=C1CCOCC1 ZINC001176141115 1121548262 /nfs/dbraw/zinc/54/82/62/1121548262.db2.gz TUSHQIAOBLTCLV-UHFFFAOYSA-N 0 1 279.554 3.758 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cccc(C)c2F)s1 ZINC000631228168 1128993189 /nfs/dbraw/zinc/99/31/89/1128993189.db2.gz OFDVILLBNFOWMU-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccc(C(F)F)nc2)s1 ZINC000631227332 1128993421 /nfs/dbraw/zinc/99/34/21/1128993421.db2.gz JZKCSTUNHVORQE-QMMMGPOBSA-N 0 1 283.347 3.635 20 0 CHADMN C[C@H](C[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12)C1CCCCC1 ZINC000711647565 1121564460 /nfs/dbraw/zinc/56/44/60/1121564460.db2.gz KBFZUJULFRCUEG-UKPHBRMFSA-N 0 1 279.424 3.532 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN2CC[C@H](CC(C)C)C2)c1 ZINC000466716843 1121564705 /nfs/dbraw/zinc/56/47/05/1121564705.db2.gz IMWNOOUGKIOZCJ-MRXNPFEDSA-N 0 1 288.435 3.610 20 0 CHADMN Cc1noc(C)c1Nc1cc(Cc2ccccc2)no1 ZINC001176178213 1121564993 /nfs/dbraw/zinc/56/49/93/1121564993.db2.gz XHUCNWDWAPTAAH-UHFFFAOYSA-N 0 1 269.304 3.614 20 0 CHADMN CCC(C)(C)N(C)Cc1c(Cl)cccc1C(=O)OC ZINC000509390192 1121566054 /nfs/dbraw/zinc/56/60/54/1121566054.db2.gz UOXJZVRBRJAMCW-UHFFFAOYSA-N 0 1 283.799 3.747 20 0 CHADMN COc1ccnc([C@H](C)N[C@H]2CCc3ccc(F)cc32)c1 ZINC000925374433 1121572526 /nfs/dbraw/zinc/57/25/26/1121572526.db2.gz NRXFDZYYUJLXPM-ZBEGNZNMSA-N 0 1 286.350 3.567 20 0 CHADMN FC(F)(F)c1nccnc1N=CCCc1ccccc1 ZINC001176217780 1121576305 /nfs/dbraw/zinc/57/63/05/1121576305.db2.gz OMCSFJPSZTWVTM-XBXARRHUSA-N 0 1 279.265 3.664 20 0 CHADMN Clc1ccccc1SCCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000466736366 1121588908 /nfs/dbraw/zinc/58/89/08/1121588908.db2.gz VNDQAAMBUYASKZ-BETUJISGSA-N 0 1 297.851 3.685 20 0 CHADMN CCCCOc1cccc(F)c1Nc1cnc(C)n1C ZINC001211794979 1121594528 /nfs/dbraw/zinc/59/45/28/1121594528.db2.gz RNYJBPJUZSZBGV-UHFFFAOYSA-N 0 1 277.343 3.790 20 0 CHADMN Fc1c(Cl)cccc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631259928 1128995825 /nfs/dbraw/zinc/99/58/25/1128995825.db2.gz GHJMZZHVIOMYRY-VXNVDRBHSA-N 0 1 267.653 3.520 20 0 CHADMN Fc1ccc(Cl)cc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631260146 1128995921 /nfs/dbraw/zinc/99/59/21/1128995921.db2.gz JTJINGZIBSFVST-PSASIEDQSA-N 0 1 267.653 3.520 20 0 CHADMN Cc1ccc(NC(=O)CN2CC[C@H](CC(C)C)C2)c(C)c1 ZINC000466744552 1121596219 /nfs/dbraw/zinc/59/62/19/1121596219.db2.gz VECQHFOPGDSFSD-MRXNPFEDSA-N 0 1 288.435 3.610 20 0 CHADMN CCc1ccc(C2CCN(Cc3cnc(C)nc3)CC2)cc1 ZINC000626086287 1121598425 /nfs/dbraw/zinc/59/84/25/1121598425.db2.gz VFNQQHURYGHWMS-UHFFFAOYSA-N 0 1 295.430 3.727 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCc3ccccc3NC2=O)c(C)o1 ZINC000318190424 1121604154 /nfs/dbraw/zinc/60/41/54/1121604154.db2.gz RULLWUKEANRXEH-SJCJKPOMSA-N 0 1 298.386 3.501 20 0 CHADMN Clc1cccc(CNCc2scnc2C2CC2)c1 ZINC000486950999 1121615946 /nfs/dbraw/zinc/61/59/46/1121615946.db2.gz OMRIINVQRQYTMB-UHFFFAOYSA-N 0 1 278.808 3.964 20 0 CHADMN c1cc2c(o1)CCC[C@H]2NCc1scnc1C1CC1 ZINC000486952045 1121616123 /nfs/dbraw/zinc/61/61/23/1121616123.db2.gz ARDMAWBHKUHAPJ-GFCCVEGCSA-N 0 1 274.389 3.781 20 0 CHADMN CN(Cc1ccc(Cl)nc1)C[C@@]1(C)CC1(Cl)Cl ZINC000827990542 1121616664 /nfs/dbraw/zinc/61/66/64/1121616664.db2.gz HAEHNUARMWJUDY-LLVKDONJSA-N 0 1 293.625 3.751 20 0 CHADMN c1nc(C2CC2)c(CNCc2ccc3ccccc3n2)s1 ZINC000486980230 1121617220 /nfs/dbraw/zinc/61/72/20/1121617220.db2.gz HXOURSVINRXCLG-UHFFFAOYSA-N 0 1 295.411 3.859 20 0 CHADMN c1nc(C2CC2)c(CN[C@H]2CSc3ccccc32)s1 ZINC000487268095 1121617516 /nfs/dbraw/zinc/61/75/16/1121617516.db2.gz COJRTQOOXHQESG-LBPRGKRZSA-N 0 1 288.441 3.957 20 0 CHADMN Cc1ccncc1CN(C)CCOc1c(C)cccc1C ZINC000411670619 1121617934 /nfs/dbraw/zinc/61/79/34/1121617934.db2.gz RQPYBYYCOMSEPU-UHFFFAOYSA-N 0 1 284.403 3.518 20 0 CHADMN CC(C)C[C@@H]1CN(C)CCN1Cc1ccsc1Cl ZINC001176432164 1121620570 /nfs/dbraw/zinc/62/05/70/1121620570.db2.gz NDUODIAMGWJSPU-CYBMUJFWSA-N 0 1 286.872 3.564 20 0 CHADMN COc1cc(Nc2cccc(OCC3CC3)c2)ncc1C ZINC001176491847 1121638415 /nfs/dbraw/zinc/63/84/15/1121638415.db2.gz OZNPQHHJKCPSQZ-UHFFFAOYSA-N 0 1 284.359 3.931 20 0 CHADMN CSc1ccc(CSc2nc(C3CC3)n[nH]2)cc1 ZINC000022545865 1121640741 /nfs/dbraw/zinc/64/07/41/1121640741.db2.gz BNQYUUBCGRTJDH-UHFFFAOYSA-N 0 1 277.418 3.696 20 0 CHADMN CSc1ccc(CSc2n[nH]c(C3CC3)n2)cc1 ZINC000022545865 1121640743 /nfs/dbraw/zinc/64/07/43/1121640743.db2.gz BNQYUUBCGRTJDH-UHFFFAOYSA-N 0 1 277.418 3.696 20 0 CHADMN Cc1oncc1CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433297047 1121642527 /nfs/dbraw/zinc/64/25/27/1121642527.db2.gz KKFQAPOVOAZWEA-ZDUSSCGKSA-N 0 1 276.767 3.626 20 0 CHADMN CCCCOc1ccc(Nc2c(C)ncn2C)c(F)c1F ZINC001176520093 1121643019 /nfs/dbraw/zinc/64/30/19/1121643019.db2.gz QEGQULIPLKYETF-UHFFFAOYSA-N 0 1 295.333 3.929 20 0 CHADMN Cc1nc(CN[C@@H]2CCCC[C@H]2OCCC(C)C)cs1 ZINC000158436852 1121646138 /nfs/dbraw/zinc/64/61/38/1121646138.db2.gz MHVCNUHGGUBOMU-HZPDHXFCSA-N 0 1 296.480 3.915 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(Cl)c(Cl)c1 ZINC001176541510 1121646384 /nfs/dbraw/zinc/64/63/84/1121646384.db2.gz MHHSXVODUKCSFT-UHFFFAOYSA-N 0 1 256.136 3.779 20 0 CHADMN C[C@H](NCc1ccccn1)c1ccc(Br)cc1 ZINC000019957185 1121660370 /nfs/dbraw/zinc/66/03/70/1121660370.db2.gz FOHNPJCOPVTASK-NSHDSACASA-N 0 1 291.192 3.695 20 0 CHADMN CCCCCNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000162216677 1121662806 /nfs/dbraw/zinc/66/28/06/1121662806.db2.gz FFQFEYZHSBMCSX-UHFFFAOYSA-N 0 1 296.321 3.812 20 0 CHADMN Cc1ccc(F)c(CN[C@H](C)c2ccc3n[nH]cc3c2)c1 ZINC000513027453 1121665365 /nfs/dbraw/zinc/66/53/65/1121665365.db2.gz LMCGHCLXICPBBB-GFCCVEGCSA-N 0 1 283.350 3.861 20 0 CHADMN CC1(Nc2nc3ccc(Br)cc3[nH]2)CCC1 ZINC001164033080 1121666957 /nfs/dbraw/zinc/66/69/57/1121666957.db2.gz VVRFWNWVPYOEKM-UHFFFAOYSA-N 0 1 280.169 3.680 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)N(CC(=O)Nc2ccccc2)C1 ZINC000513230893 1121674401 /nfs/dbraw/zinc/67/44/01/1121674401.db2.gz FTYZOEOJGOHCOP-MAUKXSAKSA-N 0 1 294.398 3.708 20 0 CHADMN CC1CCC(C)(CNCc2nnc(C3CC3)s2)CC1 ZINC000894159305 1121678140 /nfs/dbraw/zinc/67/81/40/1121678140.db2.gz MLMVSCJYJAVVMJ-UHFFFAOYSA-N 0 1 279.453 3.722 20 0 CHADMN CCC1CCN([C@@H](C)C(=O)Nc2cccc(C)c2C)CC1 ZINC000052279795 1121682793 /nfs/dbraw/zinc/68/27/93/1121682793.db2.gz OKNMPVXCVREREJ-HNNXBMFYSA-N 0 1 288.435 3.752 20 0 CHADMN CCN(CCOCC(C)C)Cc1ccc(Cl)s1 ZINC000500953746 1121684919 /nfs/dbraw/zinc/68/49/19/1121684919.db2.gz JVSBXYAZOZFKAS-UHFFFAOYSA-N 0 1 275.845 3.896 20 0 CHADMN CCCN(CCC)Cc1ncc(CSC)s1 ZINC000350145891 1121688231 /nfs/dbraw/zinc/68/82/31/1121688231.db2.gz JKYYGWFGVCKTNH-UHFFFAOYSA-N 0 1 258.456 3.628 20 0 CHADMN CSCC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC001176710106 1121689144 /nfs/dbraw/zinc/68/91/44/1121689144.db2.gz NYCLCNFVLMXVIH-UHFFFAOYSA-N 0 1 271.376 3.540 20 0 CHADMN C[C@@H]1CSCCCN1Cc1ccsc1Cl ZINC001176828370 1121695940 /nfs/dbraw/zinc/69/59/40/1121695940.db2.gz SMWLLBOCRIDTOP-SECBINFHSA-N 0 1 261.843 3.729 20 0 CHADMN C[C@H]1CSCCCN1Cc1ccc(Cl)s1 ZINC001176828942 1121696987 /nfs/dbraw/zinc/69/69/87/1121696987.db2.gz YVIBAPLMTXFRKQ-VIFPVBQESA-N 0 1 261.843 3.729 20 0 CHADMN Cc1cccnc1[C@@H](C)NC[C@@H](O)c1cc2ccccc2o1 ZINC001176896435 1121701260 /nfs/dbraw/zinc/70/12/60/1121701260.db2.gz FXIIYCGJKPDXCH-UKRRQHHQSA-N 0 1 296.370 3.520 20 0 CHADMN C[C@@H](c1ccccc1)n1[nH]c(C2CCCCC2)cc1=O ZINC001119002530 1121701879 /nfs/dbraw/zinc/70/18/79/1121701879.db2.gz QTBIQKJHUHSEPE-ZDUSSCGKSA-N 0 1 270.376 3.916 20 0 CHADMN Cc1ccccc1-c1nc(CN2C[C@H](C)[C@@H](C)[C@H]2C)no1 ZINC000419371694 1121703548 /nfs/dbraw/zinc/70/35/48/1121703548.db2.gz LDCFDNOENMOOFR-BFHYXJOUSA-N 0 1 285.391 3.521 20 0 CHADMN CCCN(C(=O)CCc1cnc[nH]1)[C@H](CC)c1ccccc1 ZINC000279679099 1121710025 /nfs/dbraw/zinc/71/00/25/1121710025.db2.gz OKUXMBGCQRCWAE-QGZVFWFLSA-N 0 1 299.418 3.732 20 0 CHADMN CSc1ccccc1NC(=S)N[C@H]1CC=CCC1 ZINC001249714757 1121714903 /nfs/dbraw/zinc/71/49/03/1121714903.db2.gz KAGAOGCIYUFSSE-NSHDSACASA-N 0 1 278.446 3.804 20 0 CHADMN CC[N@@H+](Cc1ccc(F)c(C(=O)[O-])c1F)C1CCCCC1 ZINC001249758809 1121728853 /nfs/dbraw/zinc/72/88/53/1121728853.db2.gz DTZVGRSVKZNVIC-UHFFFAOYSA-N 0 1 297.345 3.818 20 0 CHADMN CC(C)(C)[C@@H]1CN(C(=O)CCc2cnc[nH]2)c2ccccc21 ZINC000281458217 1121737717 /nfs/dbraw/zinc/73/77/17/1121737717.db2.gz CWJWBTMNTXTIPQ-OAHLLOKOSA-N 0 1 297.402 3.519 20 0 CHADMN C[C@H]1c2ccsc2CCN1CCOc1ccc(F)cc1 ZINC000057645434 1121738150 /nfs/dbraw/zinc/73/81/50/1121738150.db2.gz OFIBAIBMPWIXDF-LBPRGKRZSA-N 0 1 291.391 3.885 20 0 CHADMN CCCN(CCC)C(=O)CN(Cc1ccccc1)C(C)C ZINC000058338266 1121743788 /nfs/dbraw/zinc/74/37/88/1121743788.db2.gz GDPFDASGZZSUGX-UHFFFAOYSA-N 0 1 290.451 3.546 20 0 CHADMN CN1Cc2ccccc2[C@@H](NCc2cc3ccccc3o2)C1 ZINC000536055201 1121744589 /nfs/dbraw/zinc/74/45/89/1121744589.db2.gz HVCOJFUZMJJKAI-SFHVURJKSA-N 0 1 292.382 3.709 20 0 CHADMN Cc1c(Cl)cccc1CNCc1cccc(O)c1 ZINC001177650642 1121744876 /nfs/dbraw/zinc/74/48/76/1121744876.db2.gz KFANDCVCSOOXBC-UHFFFAOYSA-N 0 1 261.752 3.644 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@@H](C)CC(C)C ZINC000729080775 1121748314 /nfs/dbraw/zinc/74/83/14/1121748314.db2.gz SBUNHBNNDXDVHL-LBPRGKRZSA-N 0 1 286.375 3.977 20 0 CHADMN CN(C/C=C\Cl)CCc1ccc(Br)cc1 ZINC000730378536 1121805767 /nfs/dbraw/zinc/80/57/67/1121805767.db2.gz QZIGOVHWKFVWKP-WAPJZHGLSA-N 0 1 288.616 3.676 20 0 CHADMN C[C@H](NCc1cccc(OC2CCCC2)c1)c1cnn(C)c1 ZINC001177910479 1121756786 /nfs/dbraw/zinc/75/67/86/1121756786.db2.gz BFXDPUAIHPORCR-AWEZNQCLSA-N 0 1 299.418 3.592 20 0 CHADMN Cc1nc(CN2C[C@H](C)C[C@@H]2c2ccccc2)oc1C ZINC000285725243 1121764317 /nfs/dbraw/zinc/76/43/17/1121764317.db2.gz PPRLVXPBSWCOJK-MLGOLLRUSA-N 0 1 270.376 3.875 20 0 CHADMN COc1cccc2c1OCCC[C@H]2NCc1ccsc1 ZINC000631568912 1129007758 /nfs/dbraw/zinc/00/77/58/1129007758.db2.gz IPDWTTXDPILVBH-CQSZACIVSA-N 0 1 289.400 3.760 20 0 CHADMN c1c2ccccc2oc1CN[C@@H]1CCCc2ncccc21 ZINC000631572020 1129007886 /nfs/dbraw/zinc/00/78/86/1129007886.db2.gz MDRIRDKNTNWJQB-QGZVFWFLSA-N 0 1 278.355 3.995 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000286683780 1121770466 /nfs/dbraw/zinc/77/04/66/1121770466.db2.gz XBJFOPNRLZZZFI-PXAZEXFGSA-N 0 1 295.386 3.510 20 0 CHADMN COC[C@H](NCc1cnc(C(C)C)s1)c1ccccc1 ZINC001178214440 1121773055 /nfs/dbraw/zinc/77/30/55/1121773055.db2.gz ZQBXBFDEJKJFFF-HNNXBMFYSA-N 0 1 290.432 3.744 20 0 CHADMN C[C@@H]1CCN(CCSC2CCCCC2)C[C@@H]1F ZINC000619720651 1129008258 /nfs/dbraw/zinc/00/82/58/1129008258.db2.gz OEEQIWCHVRTMLI-OCCSQVGLSA-N 0 1 259.434 3.732 20 0 CHADMN Oc1cccc(CN[C@H]2CCCOc3cc(F)ccc32)c1 ZINC001178350541 1121780389 /nfs/dbraw/zinc/78/03/89/1121780389.db2.gz GUIBCRWFVHJUCS-INIZCTEOSA-N 0 1 287.334 3.535 20 0 CHADMN FC(F)(F)c1ccccc1OC1CN([C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167940718 1121781303 /nfs/dbraw/zinc/78/13/03/1121781303.db2.gz RMYBBZBSOXHLQT-ZSBIGDGJSA-N 0 1 297.320 3.567 20 0 CHADMN COc1ccnc(NCc2cccc(Cl)c2C)c1 ZINC001178386580 1121782473 /nfs/dbraw/zinc/78/24/73/1121782473.db2.gz FQELUCSWVHWKHP-UHFFFAOYSA-N 0 1 262.740 3.664 20 0 CHADMN c1ccc2c(c1)SC[C@H]2N[C@@H]1CCCc2ncccc21 ZINC000631583148 1129010126 /nfs/dbraw/zinc/01/01/26/1129010126.db2.gz VIFYKLFGMHTVNU-HZPDHXFCSA-N 0 1 282.412 3.896 20 0 CHADMN CC[C@H]1CCC[C@H](CNc2cccc3[nH]nnc32)C1 ZINC001178748643 1121812139 /nfs/dbraw/zinc/81/21/39/1121812139.db2.gz VTBBURRUESHWDE-RYUDHWBXSA-N 0 1 258.369 3.586 20 0 CHADMN CC[C@H](CNc1cccc2[nH]nnc21)c1ccccc1 ZINC001178754491 1121813045 /nfs/dbraw/zinc/81/30/45/1121813045.db2.gz OZPRYWMOJBDRQD-GFCCVEGCSA-N 0 1 266.348 3.564 20 0 CHADMN Clc1ccc2nc(SCc3ccccn3)[nH]c2c1 ZINC000026440523 1121824447 /nfs/dbraw/zinc/82/44/47/1121824447.db2.gz YFJDAYPSXDRORO-UHFFFAOYSA-N 0 1 275.764 3.904 20 0 CHADMN CC(C)SCC[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000619779443 1129012529 /nfs/dbraw/zinc/01/25/29/1129012529.db2.gz KCQBAIAIEKEATR-HNNXBMFYSA-N 0 1 281.490 3.918 20 0 CHADMN CCCCn1cc(CN[C@@H]2CCCc3ncccc32)c(C)n1 ZINC000631603545 1129012811 /nfs/dbraw/zinc/01/28/11/1129012811.db2.gz SJVITYVLYWIBSV-GOSISDBHSA-N 0 1 298.434 3.554 20 0 CHADMN CCc1ccccc1C(=O)N1CCCC[C@@H]1c1cc(C)[nH]n1 ZINC001179152885 1121853569 /nfs/dbraw/zinc/85/35/69/1121853569.db2.gz YYXGFDHLLZQYBR-QGZVFWFLSA-N 0 1 297.402 3.648 20 0 CHADMN Cc1cc([C@H]2CCCCN2C(=O)c2ccc(C)c(C)c2)n[nH]1 ZINC001179152848 1121855025 /nfs/dbraw/zinc/85/50/25/1121855025.db2.gz YPKWWJMSELJVMM-QGZVFWFLSA-N 0 1 297.402 3.702 20 0 CHADMN C[C@@H](N[C@H]1CSc2ccccc21)c1cccc(CO)c1 ZINC000345188713 1121855772 /nfs/dbraw/zinc/85/57/72/1121855772.db2.gz QEKLUUYKHQCQDR-WBMJQRKESA-N 0 1 285.412 3.677 20 0 CHADMN C[C@H](N[C@@H]1CSc2ccccc21)c1cccc(CO)c1 ZINC000345188710 1121855935 /nfs/dbraw/zinc/85/59/35/1121855935.db2.gz QEKLUUYKHQCQDR-BLLLJJGKSA-N 0 1 285.412 3.677 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCC[C@@H]2C)n[nH]1 ZINC001179160301 1121856296 /nfs/dbraw/zinc/85/62/96/1121856296.db2.gz MIYRPIVKHJPQGK-NOLJZWGESA-N 0 1 289.423 3.598 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNc2cnccc2-n2cccn2)o1 ZINC000345184514 1121856809 /nfs/dbraw/zinc/85/68/09/1121856809.db2.gz JPEUVTXEJZHOFL-TZMCWYRMSA-N 0 1 294.358 3.596 20 0 CHADMN CCSc1cc(CN[C@@H]2CCCc3ncccc32)ccn1 ZINC000631621184 1129014228 /nfs/dbraw/zinc/01/42/28/1129014228.db2.gz KWAHGGBEGWNHJF-MRXNPFEDSA-N 0 1 299.443 3.756 20 0 CHADMN C[C@@H](NCc1n[nH]c2ccccc12)c1cc2cnccc2o1 ZINC001179430292 1121877531 /nfs/dbraw/zinc/87/75/31/1121877531.db2.gz VXNVOSMLMQEDIK-LLVKDONJSA-N 0 1 292.342 3.555 20 0 CHADMN C[C@@H](NCc1[nH]nc2ccccc21)c1cc2cnccc2o1 ZINC001179430292 1121877538 /nfs/dbraw/zinc/87/75/38/1121877538.db2.gz VXNVOSMLMQEDIK-LLVKDONJSA-N 0 1 292.342 3.555 20 0 CHADMN COc1ccc(F)cc1C[N@@H+](C)CCc1ccccc1F ZINC000731671930 1121880178 /nfs/dbraw/zinc/88/01/78/1121880178.db2.gz KLQFUFLWOAFKPF-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN COc1ccc(F)cc1CN(C)CCc1ccccc1F ZINC000731671930 1121880185 /nfs/dbraw/zinc/88/01/85/1121880185.db2.gz KLQFUFLWOAFKPF-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN F[C@@H]1COc2ccccc2[C@H]1N[C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001179578924 1121888904 /nfs/dbraw/zinc/88/89/04/1121888904.db2.gz CWXWQJYMTKCVQY-OOKGIHQLSA-N 0 1 275.367 3.627 20 0 CHADMN Cc1nc2ccc(NC(=O)C[C@@H]3CC[C@@H](C)C3)cc2[nH]1 ZINC000345532004 1121891350 /nfs/dbraw/zinc/89/13/50/1121891350.db2.gz ALMAENQIVWZBCB-ZYHUDNBSSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1nc2ccc(NC(=O)C[C@@H]3CC[C@H](C)C3)cc2[nH]1 ZINC000345531992 1121891516 /nfs/dbraw/zinc/89/15/16/1121891516.db2.gz ALMAENQIVWZBCB-CMPLNLGQSA-N 0 1 271.364 3.636 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1ccccc1OCC ZINC000731894276 1121892514 /nfs/dbraw/zinc/89/25/14/1121892514.db2.gz KLJDDPCIIBJEFX-UHFFFAOYSA-N 0 1 292.423 3.536 20 0 CHADMN CC(C)(NCc1cc2cccnc2o1)c1ccc(F)cc1 ZINC001179597753 1121892649 /nfs/dbraw/zinc/89/26/49/1121892649.db2.gz GHQQRCZZGCTHLJ-UHFFFAOYSA-N 0 1 284.334 3.992 20 0 CHADMN Cc1ncc(CSc2nc(-c3ccccc3)n[nH]2)s1 ZINC000345571984 1121896269 /nfs/dbraw/zinc/89/62/69/1121896269.db2.gz WPGOCCNJKPDVKF-UHFFFAOYSA-N 0 1 288.401 3.529 20 0 CHADMN CCOc1c(Cl)cccc1CNC/C=C\Cl ZINC001179747560 1121908530 /nfs/dbraw/zinc/90/85/30/1121908530.db2.gz LPBWDNNOJFPCEV-DAXSKMNVSA-N 0 1 260.164 3.581 20 0 CHADMN c1coc([C@H]2CCN(Cn3ccc(-c4ccsc4)n3)C2)c1 ZINC000732184590 1121910601 /nfs/dbraw/zinc/91/06/01/1121910601.db2.gz ZLRZZNHONFFNJB-ZDUSSCGKSA-N 0 1 299.399 3.652 20 0 CHADMN C[C@@H](CN1CCOC[C@@H]1C1CCC1)c1cccc(Cl)c1 ZINC001206399648 1121912429 /nfs/dbraw/zinc/91/24/29/1121912429.db2.gz COJYVLLWVYBKSR-SUMWQHHRSA-N 0 1 293.838 3.944 20 0 CHADMN COc1cc(C)ccc1CN(C)Cc1ccccc1 ZINC001179845126 1121916921 /nfs/dbraw/zinc/91/69/21/1121916921.db2.gz LWJWDQBRRHVRKH-UHFFFAOYSA-N 0 1 255.361 3.636 20 0 CHADMN CCC1CCN(Cc2nc3c(s2)C[C@@H](C)CC3)CC1 ZINC001179893045 1121918401 /nfs/dbraw/zinc/91/84/01/1121918401.db2.gz ZHHOTOOYBXQNIR-LBPRGKRZSA-N 0 1 278.465 3.890 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1ccsc1C(F)(F)F ZINC000631656587 1129018361 /nfs/dbraw/zinc/01/83/61/1129018361.db2.gz IZSQHFBUILLDFA-ZETCQYMHSA-N 0 1 289.326 3.649 20 0 CHADMN C[C@@]1(CN2CCc3c(Cl)cccc3C2)CCCCO1 ZINC001179863019 1121921310 /nfs/dbraw/zinc/92/13/10/1121921310.db2.gz JMWGMPWXUVBCOV-INIZCTEOSA-N 0 1 279.811 3.657 20 0 CHADMN Cn1ccc([C@H](N[C@H]2CCCC23CC3)c2ccc(F)cc2)n1 ZINC000631663762 1129019107 /nfs/dbraw/zinc/01/91/07/1129019107.db2.gz KILQQEPIBNMBSW-DLBZAZTESA-N 0 1 299.393 3.571 20 0 CHADMN Cn1ccc([C@@H](N[C@@H]2CCCC23CC3)c2ccc(F)cc2)n1 ZINC000631663774 1129019242 /nfs/dbraw/zinc/01/92/42/1129019242.db2.gz KILQQEPIBNMBSW-SJORKVTESA-N 0 1 299.393 3.571 20 0 CHADMN Cc1ccnc(C[N@@H+]2CCC[C@@H](C)CC2)c1Br ZINC001180031398 1121939613 /nfs/dbraw/zinc/93/96/13/1121939613.db2.gz ZHZYFYJCFURUTI-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN Cc1ccnc(CN2CCC[C@@H](C)CC2)c1Br ZINC001180031398 1121939620 /nfs/dbraw/zinc/93/96/20/1121939620.db2.gz ZHZYFYJCFURUTI-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN CCC[C@H](C)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000501038825 1121945736 /nfs/dbraw/zinc/94/57/36/1121945736.db2.gz UPICANQIVHPQQF-SWLSCSKDSA-N 0 1 299.361 3.850 20 0 CHADMN COC(=O)CN(C[C@H](C)c1ccc(C)cc1)C1CCCC1 ZINC001180064405 1121946856 /nfs/dbraw/zinc/94/68/56/1121946856.db2.gz HWGBHRMPEVMPTP-HNNXBMFYSA-N 0 1 289.419 3.516 20 0 CHADMN COc1nsc(CN2CCC[C@H]2C2CCC2)c1Cl ZINC001180086417 1121947740 /nfs/dbraw/zinc/94/77/40/1121947740.db2.gz HXDLNYUWSROFPQ-JTQLQIEISA-N 0 1 286.828 3.570 20 0 CHADMN CC(C)CCc1noc(CN2CCC[C@@H]2CC(C)C)n1 ZINC000501110796 1121952822 /nfs/dbraw/zinc/95/28/22/1121952822.db2.gz SVEIMMKUZIBOCR-CQSZACIVSA-N 0 1 279.428 3.669 20 0 CHADMN C[C@H](NC[C@]1(O)CCCC(C)(C)CC1)c1nccs1 ZINC000631679697 1129021121 /nfs/dbraw/zinc/02/11/21/1129021121.db2.gz LTSRFNNPGUHKGU-WFASDCNBSA-N 0 1 282.453 3.515 20 0 CHADMN CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccco1 ZINC000501233674 1121965512 /nfs/dbraw/zinc/96/55/12/1121965512.db2.gz GKIXPICIBIHMIH-UHFFFAOYSA-N 0 1 299.292 3.809 20 0 CHADMN Cc1ccc(Br)c(F)c1CN1CC[C@H](C)C1 ZINC001180267146 1121969418 /nfs/dbraw/zinc/96/94/18/1121969418.db2.gz PLLDEPLQCRTSSF-VIFPVBQESA-N 0 1 286.188 3.738 20 0 CHADMN C[C@@]1(F)CCN(CCCOc2cccc(Cl)c2)C1 ZINC000501391848 1121974085 /nfs/dbraw/zinc/97/40/85/1121974085.db2.gz IBHLDXMRMHUOTK-CQSZACIVSA-N 0 1 271.763 3.543 20 0 CHADMN CC[C@@H]1CN(Cc2cc3ccccc3c(OC)c2)C[C@H](C)O1 ZINC001180281236 1121975516 /nfs/dbraw/zinc/97/55/16/1121975516.db2.gz ZMKOMCHLJYOJBH-WMLDXEAASA-N 0 1 299.414 3.848 20 0 CHADMN CCC[C@H](NCc1c[nH]nc1C)c1ccc(F)cc1F ZINC000150940244 1121979258 /nfs/dbraw/zinc/97/92/58/1121979258.db2.gz GIGUUFXDQDERSU-HNNXBMFYSA-N 0 1 279.334 3.627 20 0 CHADMN CCc1nnc(CNCCCCCc2ccccc2)s1 ZINC001120248925 1122002780 /nfs/dbraw/zinc/00/27/80/1122002780.db2.gz BWPMVGGVOWWEDC-UHFFFAOYSA-N 0 1 289.448 3.603 20 0 CHADMN Cc1ccc(CN[C@H]2CCCOc3cc(C)ccc32)o1 ZINC000631727639 1129024319 /nfs/dbraw/zinc/02/43/19/1129024319.db2.gz DISUTKIEINCSQG-INIZCTEOSA-N 0 1 271.360 3.900 20 0 CHADMN Cc1nnc([C@@H](C)N[C@@H](C)CCc2ccsc2)s1 ZINC001180674186 1122008267 /nfs/dbraw/zinc/00/82/67/1122008267.db2.gz TXBWJQFXSCHRPJ-VHSXEESVSA-N 0 1 281.450 3.580 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C[C@@H]1C ZINC000501787642 1122008746 /nfs/dbraw/zinc/00/87/46/1122008746.db2.gz YXJYUTJNPUCFML-OLZOCXBDSA-N 0 1 288.366 3.959 20 0 CHADMN C[C@@H]1CCN(Cc2ncc(-c3cccc(F)c3)o2)C[C@@H]1C ZINC000501787642 1122008754 /nfs/dbraw/zinc/00/87/54/1122008754.db2.gz YXJYUTJNPUCFML-OLZOCXBDSA-N 0 1 288.366 3.959 20 0 CHADMN Cc1sc(NC(=O)CN2CC[C@@H](C)[C@H](C)C2)c(C)c1C ZINC000501797293 1122009892 /nfs/dbraw/zinc/00/98/92/1122009892.db2.gz UHQWYIXCNHDGJR-GHMZBOCLSA-N 0 1 294.464 3.590 20 0 CHADMN CNc1ccc(C)cc1CN(C)[C@H](C)c1ccccn1 ZINC001180742700 1122010314 /nfs/dbraw/zinc/01/03/14/1122010314.db2.gz YHOJLDYTUBMKBE-CQSZACIVSA-N 0 1 269.392 3.625 20 0 CHADMN CNc1ccc(C)cc1CN(C)[C@@H](C)c1ccccn1 ZINC001180742699 1122011392 /nfs/dbraw/zinc/01/13/92/1122011392.db2.gz YHOJLDYTUBMKBE-AWEZNQCLSA-N 0 1 269.392 3.625 20 0 CHADMN C[C@@H]1CCN(Cc2csc(-c3ccco3)n2)C[C@H]1C ZINC000501820374 1122011964 /nfs/dbraw/zinc/01/19/64/1122011964.db2.gz UYHWPMZEPDXLCM-VXGBXAGGSA-N 0 1 276.405 3.881 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1CC[C@@H](C)[C@H](C)C1 ZINC000501818143 1122012106 /nfs/dbraw/zinc/01/21/06/1122012106.db2.gz VWOFRCMGXBPFKG-VXGBXAGGSA-N 0 1 294.826 3.565 20 0 CHADMN CCCC[C@@H](C(=O)Nc1c2nn[nH]c2ccc1C)C(C)C ZINC001180765590 1122015788 /nfs/dbraw/zinc/01/57/88/1122015788.db2.gz VROCVQPOUPQQPX-GFCCVEGCSA-N 0 1 288.395 3.667 20 0 CHADMN Cc1ccc([C@@H](C)c2noc(C34CCCN3CCC4)n2)cc1 ZINC000420501522 1122017669 /nfs/dbraw/zinc/01/76/69/1122017669.db2.gz HPRQUFWDMJDHSK-CQSZACIVSA-N 0 1 297.402 3.615 20 0 CHADMN CC[C@@H]1C[C@H](Nc2ccnc3cc(F)ccc32)CCO1 ZINC000420625253 1122025157 /nfs/dbraw/zinc/02/51/57/1122025157.db2.gz XGMQMFWKIYJULQ-CHWSQXEVSA-N 0 1 274.339 3.743 20 0 CHADMN Cc1occc1CN[C@H](c1cccs1)C1(CO)CCC1 ZINC000414465651 1122029504 /nfs/dbraw/zinc/02/95/04/1122029504.db2.gz YBAIQSIRZDMHCC-OAHLLOKOSA-N 0 1 291.416 3.643 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)CCC2)c1nc2c(s1)CCC2 ZINC000502014419 1122031625 /nfs/dbraw/zinc/03/16/25/1122031625.db2.gz FGLYNMOICWCZDK-GFCCVEGCSA-N 0 1 298.455 3.971 20 0 CHADMN C[C@H](NC/C=C/c1ccccc1)c1nc2c(s1)CCC2 ZINC000502044180 1122032564 /nfs/dbraw/zinc/03/25/64/1122032564.db2.gz RCWKNBAUEGDFJO-PPGNKHEKSA-N 0 1 284.428 3.996 20 0 CHADMN C[C@H](CC1CCC1)N[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000631738047 1129026408 /nfs/dbraw/zinc/02/64/08/1129026408.db2.gz DJSNDLPRNQZFEJ-FZKQIMNGSA-N 0 1 299.393 3.873 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2C[C@H](Sc3ccccc3)C2)no1 ZINC000631739568 1129026842 /nfs/dbraw/zinc/02/68/42/1129026842.db2.gz WAAPNANPYVJFNO-UMVBOHGHSA-N 0 1 288.416 3.957 20 0 CHADMN Fc1cccc(CN2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000420938202 1122047423 /nfs/dbraw/zinc/04/74/23/1122047423.db2.gz ALTXAUSCTMTDCD-GFCCVEGCSA-N 0 1 275.289 3.990 20 0 CHADMN CCCc1cccc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)c1 ZINC001181360940 1122051087 /nfs/dbraw/zinc/05/10/87/1122051087.db2.gz KBPRIIBMMAUWFG-RDTXWAMCSA-N 0 1 273.420 3.638 20 0 CHADMN CC(C)c1noc(CN2CC[C@H](c3ccccc3)C2(C)C)n1 ZINC000421008502 1122054644 /nfs/dbraw/zinc/05/46/44/1122054644.db2.gz AYASBNLFLLIYMG-OAHLLOKOSA-N 0 1 299.418 3.961 20 0 CHADMN c1ccc(Oc2cccc(CN3CC[C@]34CCOC4)c2)cc1 ZINC000421029655 1122062634 /nfs/dbraw/zinc/06/26/34/1122062634.db2.gz XLNUKSXSJPNHFX-LJQANCHMSA-N 0 1 295.382 3.844 20 0 CHADMN Cc1nc(C(C)C)oc1CN(C)C1CC(OC(C)(C)C)C1 ZINC000421017985 1122064332 /nfs/dbraw/zinc/06/43/32/1122064332.db2.gz VXOPSPOMQUOROK-UHFFFAOYSA-N 0 1 294.439 3.884 20 0 CHADMN CCN(Cc1nc(Br)cs1)C1CCCC1 ZINC001181656645 1122068690 /nfs/dbraw/zinc/06/86/90/1122068690.db2.gz STKLKWYHALAPPH-UHFFFAOYSA-N 0 1 289.242 3.670 20 0 CHADMN CCC[C@H](CN1CC[C@H]1c1ccc(Cl)cc1)OC ZINC001181708594 1122070834 /nfs/dbraw/zinc/07/08/34/1122070834.db2.gz YDRSGMCKURJXAF-CABCVRRESA-N 0 1 267.800 3.902 20 0 CHADMN CC1=C(C)C[C@@H]([C@H](C)NCc2nn(C)cc2Cl)CC1 ZINC001181871113 1122088650 /nfs/dbraw/zinc/08/86/50/1122088650.db2.gz SSJXJAZUJHPRRD-STQMWFEESA-N 0 1 281.831 3.688 20 0 CHADMN C[C@H](N[C@H]1CCCn2nccc21)c1nccc2ccccc21 ZINC000631809605 1129030714 /nfs/dbraw/zinc/03/07/14/1129030714.db2.gz LJPJYFUDMWEASC-BBRMVZONSA-N 0 1 292.386 3.617 20 0 CHADMN OC[C@@H](NCc1cccc(C2CC2)c1)c1cccc(F)c1 ZINC000421338196 1122100309 /nfs/dbraw/zinc/10/03/09/1122100309.db2.gz BUZPQNVSINNURF-GOSISDBHSA-N 0 1 285.362 3.526 20 0 CHADMN CC(C)c1nnc(CNC2CC3(C2)CCCCC3)s1 ZINC000421365966 1122102037 /nfs/dbraw/zinc/10/20/37/1122102037.db2.gz RHVVBAVDWQAFHT-UHFFFAOYSA-N 0 1 279.453 3.864 20 0 CHADMN Cc1ccc(CN(C(C)C)[C@H](C)c2ccsc2)nn1 ZINC000421376954 1122105437 /nfs/dbraw/zinc/10/54/37/1122105437.db2.gz SFOIRNWFXKICOT-CYBMUJFWSA-N 0 1 275.421 3.818 20 0 CHADMN Cc1ccc(-c2ccc(CN3CC[C@]34CCOC4)o2)cc1 ZINC000421402009 1122106692 /nfs/dbraw/zinc/10/66/92/1122106692.db2.gz VFCFGZRCIYZXLI-GOSISDBHSA-N 0 1 283.371 3.620 20 0 CHADMN CO[C@@H]1CN([C@H](C)c2ccc(F)c(Cl)c2)CC[C@@H]1C ZINC000467300132 1122106923 /nfs/dbraw/zinc/10/69/23/1122106923.db2.gz BGKNAXPTPNFYBF-FIXISWKDSA-N 0 1 285.790 3.897 20 0 CHADMN Cc1ccncc1CN(C)Cc1cccc(C2CC2)c1 ZINC000421384590 1122108022 /nfs/dbraw/zinc/10/80/22/1122108022.db2.gz KHCHBEJXQDLTIH-UHFFFAOYSA-N 0 1 266.388 3.899 20 0 CHADMN COc1ccsc1CN1CCC[C@H](CC(F)(F)F)C1 ZINC000421387595 1122108097 /nfs/dbraw/zinc/10/80/97/1122108097.db2.gz JAXZMYAMDJJAKO-SNVBAGLBSA-N 0 1 293.354 3.921 20 0 CHADMN CCCCCOc1ccc(CN2CC[C@]23CCOC3)cc1 ZINC000421395388 1122111043 /nfs/dbraw/zinc/11/10/43/1122111043.db2.gz IESFJTRHFRYYQQ-GOSISDBHSA-N 0 1 289.419 3.620 20 0 CHADMN CCn1ccc(CN2CC[C@@H](C(C)(C)C)C[C@H]2C)n1 ZINC001182181882 1122116473 /nfs/dbraw/zinc/11/64/73/1122116473.db2.gz BSOAFDUJIXZKLJ-ZIAGYGMSSA-N 0 1 263.429 3.550 20 0 CHADMN Cc1nc(C)c(CN2CC(Cc3ccc(Cl)cc3)C2)o1 ZINC001182215646 1122121470 /nfs/dbraw/zinc/12/14/70/1122121470.db2.gz GSDHVOPCEDINKI-UHFFFAOYSA-N 0 1 290.794 3.619 20 0 CHADMN Cc1ccc(CNc2nc3cc(C)ccc3[nH]2)cc1 ZINC000041600376 1122128080 /nfs/dbraw/zinc/12/80/80/1122128080.db2.gz DTTDCLKVJJMVKJ-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN COc1cccc2cc([C@@H](C)N[C@@H](C)c3ccnn3C)oc21 ZINC000774110082 1122128599 /nfs/dbraw/zinc/12/85/99/1122128599.db2.gz OATBVWSLNWKCND-NWDGAFQWSA-N 0 1 299.374 3.587 20 0 CHADMN COC(=O)c1coc([C@@H](C)N[C@@H](C)c2ccc(C)s2)c1 ZINC000774141294 1122129946 /nfs/dbraw/zinc/12/99/46/1122129946.db2.gz SMCIEMFKRHBLFX-MNOVXSKESA-N 0 1 293.388 3.848 20 0 CHADMN Cc1ccc(CNCc2ccns2)cc1Br ZINC000404340471 1122154253 /nfs/dbraw/zinc/15/42/53/1122154253.db2.gz DPAWUHXGPQCGTE-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN CN(C)Cc1ccc(N[C@H]2CCCc3occc32)cc1F ZINC000774346577 1122158927 /nfs/dbraw/zinc/15/89/27/1122158927.db2.gz XYJDHUNQJFDBPY-INIZCTEOSA-N 0 1 288.366 3.970 20 0 CHADMN Cc1nc(C2(NCC3CCC(C)(C)CC3)CCCC2)no1 ZINC000502988420 1122160217 /nfs/dbraw/zinc/16/02/17/1122160217.db2.gz LWVPBYCHPRTCEY-UHFFFAOYSA-N 0 1 291.439 3.953 20 0 CHADMN Cc1cc(F)cc([C@@]2(F)CCN(C[C@@H]3CCSC3)C2)c1 ZINC000503043141 1122163826 /nfs/dbraw/zinc/16/38/26/1122163826.db2.gz CIIQHFXSPVAAFS-XJKSGUPXSA-N 0 1 297.414 3.758 20 0 CHADMN C[C@H]1CCC[C@H]1NCc1c(F)c(F)c(F)c(F)c1F ZINC000774505348 1122172314 /nfs/dbraw/zinc/17/23/14/1122172314.db2.gz BNDUMYITQOFBQT-POYBYMJQSA-N 0 1 279.252 3.660 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(Cl)cc2)C(C)C)ncn1 ZINC000271717436 1122173051 /nfs/dbraw/zinc/17/30/51/1122173051.db2.gz NMSXURXBUPIHRT-INIZCTEOSA-N 0 1 289.810 3.925 20 0 CHADMN CC[C@H](C)CN[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000271722788 1122173105 /nfs/dbraw/zinc/17/31/05/1122173105.db2.gz UCRLZJDRYUKKLU-SWLSCSKDSA-N 0 1 291.826 3.799 20 0 CHADMN Clc1cccc(C2(NCc3ccno3)CCCC2)c1 ZINC000271826614 1122177823 /nfs/dbraw/zinc/17/78/23/1122177823.db2.gz VTNFLEJFAMGOTI-UHFFFAOYSA-N 0 1 276.767 3.887 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](c2ccccc2)C2CCC2)on1 ZINC000924944149 1122178939 /nfs/dbraw/zinc/17/89/39/1122178939.db2.gz UXRDXRXUCJNHRD-PXAZEXFGSA-N 0 1 286.375 3.875 20 0 CHADMN Cc1ccc(C[N@H+](CC(C)C)C2CC2)c(Cl)n1 ZINC000688554973 1129036731 /nfs/dbraw/zinc/03/67/31/1129036731.db2.gz FOINBIUEADPARI-UHFFFAOYSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1ccc(CN(CC(C)C)C2CC2)c(Cl)n1 ZINC000688554973 1129036736 /nfs/dbraw/zinc/03/67/36/1129036736.db2.gz FOINBIUEADPARI-UHFFFAOYSA-N 0 1 252.789 3.664 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccccc1)c1cccc(F)c1F ZINC000271960413 1122184923 /nfs/dbraw/zinc/18/49/23/1122184923.db2.gz LKXGGBJVMHQOAM-MLGOLLRUSA-N 0 1 291.341 3.739 20 0 CHADMN C[C@@H](C[N@H+]1C[C@H](C)OCC12CCC2)c1ccc(F)cc1 ZINC001182725647 1122185727 /nfs/dbraw/zinc/18/57/27/1122185727.db2.gz LRICZQMIORQAGL-KBPBESRZSA-N 0 1 277.383 3.573 20 0 CHADMN C[C@@H](NC1(c2ccccc2)CCC1)c1ccc(F)cn1 ZINC000272052415 1122188794 /nfs/dbraw/zinc/18/87/94/1122188794.db2.gz NIOGBBUIMIBXEH-CYBMUJFWSA-N 0 1 270.351 3.951 20 0 CHADMN CCc1ccc(C)nc1NC[C@H](OC)C1CCCC1 ZINC001182873257 1122192442 /nfs/dbraw/zinc/19/24/42/1122192442.db2.gz JAWPHZFHEJNTFV-HNNXBMFYSA-N 0 1 262.397 3.570 20 0 CHADMN C[C@H](NC1(c2ccccc2F)CC1)c1cccc(CO)c1 ZINC000272164460 1122192644 /nfs/dbraw/zinc/19/26/44/1122192644.db2.gz OYMJNGRKZYDFNQ-ZDUSSCGKSA-N 0 1 285.362 3.658 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCc3ccccn3)n2)o1 ZINC000031251376 1122194763 /nfs/dbraw/zinc/19/47/63/1122194763.db2.gz ZMTFJYCKPYBNPZ-BQYQJAHWSA-N 0 1 298.371 3.564 20 0 CHADMN COCC[C@@H](NCc1cccc(C)c1)c1ccc(C)o1 ZINC000272300704 1122197006 /nfs/dbraw/zinc/19/70/06/1122197006.db2.gz NMXFEPFELDAHFT-MRXNPFEDSA-N 0 1 273.376 3.764 20 0 CHADMN COc1c(O)cccc1CNC(C)(C)c1cccc(F)c1 ZINC000272399317 1122201444 /nfs/dbraw/zinc/20/14/44/1122201444.db2.gz JTGFDHYPCYJBPA-UHFFFAOYSA-N 0 1 289.350 3.565 20 0 CHADMN COCC[C@H](NCc1cccc2[nH]ccc21)c1ccco1 ZINC000272417034 1122201515 /nfs/dbraw/zinc/20/15/15/1122201515.db2.gz CTVNVGUAXUOUGE-INIZCTEOSA-N 0 1 284.359 3.628 20 0 CHADMN COCC[C@H](NCc1ccc(F)c(C)c1)c1ccco1 ZINC000272503285 1122204408 /nfs/dbraw/zinc/20/44/08/1122204408.db2.gz GYTHXZRIUNXWCB-HNNXBMFYSA-N 0 1 277.339 3.595 20 0 CHADMN COCC[C@@H](N[C@@H]1CCc2ccccc21)c1ccco1 ZINC000272584294 1122206079 /nfs/dbraw/zinc/20/60/79/1122206079.db2.gz QZPOOFQANLIVBH-HZPDHXFCSA-N 0 1 271.360 3.634 20 0 CHADMN Cc1oc2ccccc2c1CNCc1cccc(F)n1 ZINC000758535709 1122206478 /nfs/dbraw/zinc/20/64/78/1122206478.db2.gz CRIKFARLKCZPEO-UHFFFAOYSA-N 0 1 270.307 3.565 20 0 CHADMN COCC[C@H](N[C@@H]1CCc2cc(F)ccc21)c1ccco1 ZINC000272617314 1122206973 /nfs/dbraw/zinc/20/69/73/1122206973.db2.gz XLOTUWQPXYOIME-CVEARBPZSA-N 0 1 289.350 3.773 20 0 CHADMN Cc1ccc(CN2CC(Cc3cccs3)C2)c(F)c1 ZINC001183189263 1122208950 /nfs/dbraw/zinc/20/89/50/1122208950.db2.gz SGWIHNLYMFMZLS-UHFFFAOYSA-N 0 1 275.392 3.870 20 0 CHADMN CC=C(C=CC(=O)Nc1c(C)n[nH]c1C(F)F)CC ZINC000272702088 1122210486 /nfs/dbraw/zinc/21/04/86/1122210486.db2.gz FTGSGHPWHZOGAR-HCOPZPKMSA-N 0 1 269.295 3.507 20 0 CHADMN COc1ccc([C@H](NC2CSC2)c2ccc(C)cc2)cc1 ZINC000679626865 1122213345 /nfs/dbraw/zinc/21/33/45/1122213345.db2.gz ALGUDIRWEBKPKC-GOSISDBHSA-N 0 1 299.439 3.798 20 0 CHADMN CC1(C)C[C@H](NCc2cccnc2)c2cc(F)ccc2O1 ZINC000082505584 1122216701 /nfs/dbraw/zinc/21/67/01/1122216701.db2.gz WDPZVXFFVLNMCN-HNNXBMFYSA-N 0 1 286.350 3.613 20 0 CHADMN O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)[C@H]1C[C@H]1F ZINC001183387712 1122220830 /nfs/dbraw/zinc/22/08/30/1122220830.db2.gz DVQVQZHKOJRMND-QWHCGFSZSA-N 0 1 295.317 3.526 20 0 CHADMN CO[C@@]1(C(F)(F)F)CCN(Cc2csc(C)c2C)C1 ZINC001183520865 1122225882 /nfs/dbraw/zinc/22/58/82/1122225882.db2.gz SROZYTSKGKHQNG-LBPRGKRZSA-N 0 1 293.354 3.518 20 0 CHADMN Cc1cc(C[C@H](C)N[C@H](c2ccccc2)C(F)(F)F)[nH]n1 ZINC000273331967 1122228938 /nfs/dbraw/zinc/22/89/38/1122228938.db2.gz JWPNAWNAGSWBAG-IINYFYTJSA-N 0 1 297.324 3.542 20 0 CHADMN F[C@H]1COc2ccccc2[C@@H]1NC[C@@H]1C[C@H]1c1ccccc1 ZINC001183787556 1122239187 /nfs/dbraw/zinc/23/91/87/1122239187.db2.gz BTHYRCFOGWHKHB-XPYUAMARSA-N 0 1 297.373 3.852 20 0 CHADMN Cc1ccc(C[C@H](C)N[C@@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC001183789774 1122240261 /nfs/dbraw/zinc/24/02/61/1122240261.db2.gz XVOXKJSLAAIVAB-UCLAIMLFSA-N 0 1 299.389 3.987 20 0 CHADMN Cc1ccc([C@H](C)CN2CCn3nc(C4CC4)cc3C2)cc1 ZINC001184106314 1122254796 /nfs/dbraw/zinc/25/47/96/1122254796.db2.gz NATNMYWTVZAYAC-OAHLLOKOSA-N 0 1 295.430 3.688 20 0 CHADMN C[C@@H]1C[C@H]1N[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000924953053 1122255985 /nfs/dbraw/zinc/25/59/85/1122255985.db2.gz ZVIONAQIIDOVQO-HFBAOOFYSA-N 0 1 272.779 3.822 20 0 CHADMN COc1ccc2oc(CN3CC(Cc4ccoc4)C3)cc2c1 ZINC001184197343 1122259056 /nfs/dbraw/zinc/25/90/56/1122259056.db2.gz NILWVHKCRULPNG-UHFFFAOYSA-N 0 1 297.354 3.709 20 0 CHADMN c1cc(Oc2ccccc2)oc1CNC[C@H]1CCCCO1 ZINC000503562508 1122267325 /nfs/dbraw/zinc/26/73/25/1122267325.db2.gz LBPYULJCQJRIED-OAHLLOKOSA-N 0 1 287.359 3.731 20 0 CHADMN COc1ccc(OC)c(CN(C)Cc2ccccc2C)c1 ZINC000503577789 1122269879 /nfs/dbraw/zinc/26/98/79/1122269879.db2.gz NZKXPAWUQZQYSY-UHFFFAOYSA-N 0 1 285.387 3.644 20 0 CHADMN CC(C)c1nnc(CNC[C@@H]2C[C@@H]2C2CCCC2)s1 ZINC001184387914 1122273608 /nfs/dbraw/zinc/27/36/08/1122273608.db2.gz NZJVMKYDYBRNHQ-QWHCGFSZSA-N 0 1 279.453 3.577 20 0 CHADMN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NCc1ocnc1C ZINC000894283498 1122291815 /nfs/dbraw/zinc/29/18/15/1122291815.db2.gz JKKJGFJSOMRMBQ-ABAIWWIYSA-N 0 1 294.782 3.502 20 0 CHADMN CC(C)[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000504360654 1122293727 /nfs/dbraw/zinc/29/37/27/1122293727.db2.gz YMBMBKSJYDZGRO-HNNXBMFYSA-N 0 1 297.402 3.585 20 0 CHADMN C[C@H]1CCCN(Cc2cnc(Cl)c(F)c2)C[C@H]1C ZINC001237398083 1129044762 /nfs/dbraw/zinc/04/47/62/1129044762.db2.gz OFIZSXAZKFLLQH-WDEREUQCSA-N 0 1 270.779 3.742 20 0 CHADMN FC(F)(F)c1cnccc1NCc1ccc(Cl)s1 ZINC001184720605 1122294289 /nfs/dbraw/zinc/29/42/89/1122294289.db2.gz SKNUPKLMNMEWJY-UHFFFAOYSA-N 0 1 292.713 3.849 20 0 CHADMN C[C@H](Cc1ccccc1)c1cc(C(=O)N(C)C(C)(C)C)n[nH]1 ZINC001184983946 1122303321 /nfs/dbraw/zinc/30/33/21/1122303321.db2.gz GZMXVLJEZHFQEI-CYBMUJFWSA-N 0 1 299.418 3.626 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cccc2O)c1cnn(C2CCC2)c1 ZINC000924968518 1122303780 /nfs/dbraw/zinc/30/37/80/1122303780.db2.gz ZUFXOOGNDBCSRH-YVEFUNNKSA-N 0 1 297.402 3.652 20 0 CHADMN CO[C@@H](CNCc1csc(-c2cccs2)n1)C(C)C ZINC000072924472 1122309716 /nfs/dbraw/zinc/30/97/16/1122309716.db2.gz NZIGNSQHUBGMDQ-LBPRGKRZSA-N 0 1 296.461 3.632 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(C(F)F)nc2)c1 ZINC000637900852 1122313271 /nfs/dbraw/zinc/31/32/71/1122313271.db2.gz HJGDKRTVCGLILU-UHFFFAOYSA-N 0 1 276.330 3.960 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)N(C)c1ccc(F)c(Cl)c1 ZINC000632311394 1129046378 /nfs/dbraw/zinc/04/63/78/1129046378.db2.gz CJYQEYHJSFBGKA-UHFFFAOYSA-N 0 1 295.745 3.602 20 0 CHADMN CC1(CC(=O)N(Cc2cnc[nH]2)Cc2ccccc2)CCC1 ZINC001185101216 1122317825 /nfs/dbraw/zinc/31/78/25/1122317825.db2.gz KRPLFDLMYUXRDL-UHFFFAOYSA-N 0 1 297.402 3.519 20 0 CHADMN C[C@]1(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)C[C@H]1F ZINC000424629867 1122321339 /nfs/dbraw/zinc/32/13/39/1122321339.db2.gz OZDJBYPAKILILG-CJNGLKHVSA-N 0 1 287.338 3.517 20 0 CHADMN Cc1ccc(F)c(NC(=O)Nc2ccc(F)c(F)c2O)c1 ZINC001185263664 1122330164 /nfs/dbraw/zinc/33/01/64/1122330164.db2.gz YRWZSAQXODUCIS-UHFFFAOYSA-N 0 1 296.248 3.762 20 0 CHADMN CCOc1cc(CN2CCC[C@H](C)C2)cc(Cl)c1OC ZINC000505327205 1122355813 /nfs/dbraw/zinc/35/58/13/1122355813.db2.gz RPEGQIYFOCBHBM-LBPRGKRZSA-N 0 1 297.826 3.979 20 0 CHADMN CCCn1c2ccccc2nc1CN1CCC[C@H](C)C1 ZINC000505313552 1122356063 /nfs/dbraw/zinc/35/60/63/1122356063.db2.gz HDJQJSZDNIUXEK-AWEZNQCLSA-N 0 1 271.408 3.678 20 0 CHADMN Fc1ccc(Cc2cccc3nc[nH]c32)c(F)c1F ZINC001250220960 1122364861 /nfs/dbraw/zinc/36/48/61/1122364861.db2.gz YEZSUVFBGYCSRH-UHFFFAOYSA-N 0 1 262.234 3.571 20 0 CHADMN C[C@@H](c1nc(-c2ccccc2)no1)N(C)CC(C)(C)C ZINC000514100171 1122376702 /nfs/dbraw/zinc/37/67/02/1122376702.db2.gz QQIIGXQLWLCRRY-LBPRGKRZSA-N 0 1 273.380 3.776 20 0 CHADMN CCCCN(C)CC(=O)N(CC)c1cccc2ccccc21 ZINC000058874881 1122381773 /nfs/dbraw/zinc/38/17/73/1122381773.db2.gz FERLIEIROWYVON-UHFFFAOYSA-N 0 1 298.430 3.925 20 0 CHADMN COc1ccccc1CN(C)CCOc1c(C)cccc1C ZINC000058876541 1122392555 /nfs/dbraw/zinc/39/25/55/1122392555.db2.gz AWVYZFQUMOMBBP-UHFFFAOYSA-N 0 1 299.414 3.823 20 0 CHADMN C[C@@H](NCCF)c1cc2cc(Br)ccc2o1 ZINC000281215420 1122396544 /nfs/dbraw/zinc/39/65/44/1122396544.db2.gz ZFGYRFQAQKTRNI-MRVPVSSYSA-N 0 1 286.144 3.815 20 0 CHADMN C[C@]12CCN(Cc3cc4c(cccc4F)[nH]3)C[C@H]1C2(F)F ZINC000430087353 1122397724 /nfs/dbraw/zinc/39/77/24/1122397724.db2.gz HABUQIBEQJZODE-CABCVRRESA-N 0 1 294.320 3.784 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(C)c2C)cn1 ZINC000430107876 1122405381 /nfs/dbraw/zinc/40/53/81/1122405381.db2.gz UXJHYVXDIPXNDV-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN Cc1ccc([C@@]2(C)CCN(Cc3nccn3C(C)C)C2)cc1 ZINC000434734381 1122410103 /nfs/dbraw/zinc/41/01/03/1122410103.db2.gz FMKZFEZNVYVFCK-IBGZPJMESA-N 0 1 297.446 3.936 20 0 CHADMN CCCNc1ccc(CNCc2cccc(OCC)n2)cc1 ZINC000434759480 1122410839 /nfs/dbraw/zinc/41/08/39/1122410839.db2.gz WEMIADMEVNOKAL-UHFFFAOYSA-N 0 1 299.418 3.592 20 0 CHADMN COc1cc(C)c(CN2CC[C@H]2c2ccccc2)cc1OC ZINC000434982991 1122425415 /nfs/dbraw/zinc/42/54/15/1122425415.db2.gz OGKHVQSAWGWFHQ-KRWDZBQOSA-N 0 1 297.398 3.959 20 0 CHADMN CC1(C)CC[C@H](NCc2noc(-c3ccccc3F)n2)C1 ZINC000435035352 1122428797 /nfs/dbraw/zinc/42/87/97/1122428797.db2.gz QCXLLASHTBMVLD-NSHDSACASA-N 0 1 289.354 3.544 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc3cc(C)ccn23)cc1 ZINC000505607748 1122434440 /nfs/dbraw/zinc/43/44/40/1122434440.db2.gz KCLZDJHMOSYPQQ-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN COc1ccccc1CN(C)Cc1ccc(F)cc1C ZINC000505608850 1122435474 /nfs/dbraw/zinc/43/54/74/1122435474.db2.gz HQWIBADBONQWAU-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1C/C(C)=C\c1ccccc1 ZINC000505609684 1122437128 /nfs/dbraw/zinc/43/71/28/1122437128.db2.gz IXSRLZWIOLKOIV-GEZHENHXSA-N 0 1 259.393 3.589 20 0 CHADMN C[C@H]1CN(Cc2ccc(-c3cc[nH]n3)o2)[C@H]1c1ccccc1 ZINC000435128224 1122437472 /nfs/dbraw/zinc/43/74/72/1122437472.db2.gz GCYJBSHSDDTHMM-SCLBCKFNSA-N 0 1 293.370 3.863 20 0 CHADMN Cc1ccc(CN2Cc3ccccc3O[C@H](C)C2)s1 ZINC000430133499 1122439340 /nfs/dbraw/zinc/43/93/40/1122439340.db2.gz FFHHCIKNJRFYRO-GFCCVEGCSA-N 0 1 273.401 3.840 20 0 CHADMN C[C@H]1CN(Cc2ccsc2)Cc2ccccc2O1 ZINC000430132917 1122439680 /nfs/dbraw/zinc/43/96/80/1122439680.db2.gz NBWJYNGQSMQIEO-LBPRGKRZSA-N 0 1 259.374 3.531 20 0 CHADMN CC[C@H]1CO[C@H](C)CN1Cc1ccc(C(F)(F)F)cc1 ZINC000505630717 1122444320 /nfs/dbraw/zinc/44/43/20/1122444320.db2.gz DUUUSNZMMSOXFC-RISCZKNCSA-N 0 1 287.325 3.705 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc2c(c(Cl)c1)OCO2 ZINC000514736546 1122445327 /nfs/dbraw/zinc/44/53/27/1122445327.db2.gz VIYPXBCERXNPCT-LBPRGKRZSA-N 0 1 281.783 3.833 20 0 CHADMN COc1cc2c(c(CN(C)Cc3ccccc3)c1)O[C@@H](C)C2 ZINC000435236018 1122446100 /nfs/dbraw/zinc/44/61/00/1122446100.db2.gz GXTLQHZBMFAIQN-AWEZNQCLSA-N 0 1 297.398 3.651 20 0 CHADMN CO[C@H](CN(C)Cc1cccnc1)c1ccc(Cl)cc1 ZINC000283150638 1122448328 /nfs/dbraw/zinc/44/83/28/1122448328.db2.gz OLZNSJVUQSJSOX-MRXNPFEDSA-N 0 1 290.794 3.555 20 0 CHADMN CC(C)=CCC[C@H](C)NC(=O)c1cc2[nH]cnc2cc1F ZINC000425313396 1122448689 /nfs/dbraw/zinc/44/86/89/1122448689.db2.gz LRFWSQUKRXDVCQ-NSHDSACASA-N 0 1 289.354 3.567 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](C)c2c(F)cccc2Cl)n[nH]1 ZINC000660199961 1129055479 /nfs/dbraw/zinc/05/54/79/1129055479.db2.gz DYIMBLBWBUIWBA-RKDXNWHRSA-N 0 1 296.777 3.571 20 0 CHADMN C[C@H]1CC[C@H](CO)CN1Cc1c(Cl)cccc1Cl ZINC000135776198 1122450868 /nfs/dbraw/zinc/45/08/68/1122450868.db2.gz USHCIGFMUMLKGU-QWRGUYRKSA-N 0 1 288.218 3.586 20 0 CHADMN COc1ccccc1[C@@H]1CCCN1Cc1cncn1C(C)C ZINC000425323622 1122453682 /nfs/dbraw/zinc/45/36/82/1122453682.db2.gz JBVNBMZOHJWXRJ-KRWDZBQOSA-N 0 1 299.418 3.810 20 0 CHADMN CC[C@@H]1CN(CCC2CCCCCC2)C[C@H](C)[S@]1=O ZINC000515093020 1122476444 /nfs/dbraw/zinc/47/64/44/1122476444.db2.gz BRPNSZSKPFYOMQ-ZSZQSSIHSA-N 0 1 285.497 3.578 20 0 CHADMN F[C@]1(c2ccccc2)CCN(Cc2cccs2)C1 ZINC000515154679 1122480562 /nfs/dbraw/zinc/48/05/62/1122480562.db2.gz OQNFMDNMSOQOIV-OAHLLOKOSA-N 0 1 261.365 3.819 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000435768493 1122488390 /nfs/dbraw/zinc/48/83/90/1122488390.db2.gz DIMNKYPENWNHSH-MRXNPFEDSA-N 0 1 258.340 3.799 20 0 CHADMN CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000515492130 1122504474 /nfs/dbraw/zinc/50/44/74/1122504474.db2.gz VXBZMQMPUVBYEB-HNNXBMFYSA-N 0 1 275.392 3.785 20 0 CHADMN Cc1ccc([C@@H]2CCCN2C(=O)c2cc(C(C)C)[nH]n2)cc1 ZINC000515553730 1122509257 /nfs/dbraw/zinc/50/92/57/1122509257.db2.gz GSQGHMCPQVQODP-KRWDZBQOSA-N 0 1 297.402 3.819 20 0 CHADMN Clc1ccc(O[C@H]2CCCN(Cc3ccco3)C2)cc1 ZINC001203285524 1122512211 /nfs/dbraw/zinc/51/22/11/1122512211.db2.gz MLDFLQNUKVKPBM-INIZCTEOSA-N 0 1 291.778 3.976 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc(C2CC2)no1)[C@H]1CC2CCC1CC2 ZINC000515655881 1122519337 /nfs/dbraw/zinc/51/93/37/1122519337.db2.gz UKKDCLZFHYKJIJ-BRUFSJIZSA-N 0 1 289.423 3.812 20 0 CHADMN C[C@@H]1COC2(CCCC2)CN1c1ccnc2ccccc21 ZINC000664530625 1122521024 /nfs/dbraw/zinc/52/10/24/1122521024.db2.gz HZRQJUZNNXKMGJ-CQSZACIVSA-N 0 1 282.387 3.773 20 0 CHADMN Cc1ccc(-c2cc(CN3CCC=C(C)C3)on2)cc1 ZINC000436272936 1122533036 /nfs/dbraw/zinc/53/30/36/1122533036.db2.gz UDFVWOBEVDDGJR-UHFFFAOYSA-N 0 1 268.360 3.802 20 0 CHADMN C[C@@H]1CCN(Cc2ncc(-c3ccccc3)o2)[C@H](C)C1 ZINC000425510259 1122533884 /nfs/dbraw/zinc/53/38/84/1122533884.db2.gz BHCJXPHNGROAEZ-ZIAGYGMSSA-N 0 1 270.376 3.962 20 0 CHADMN CC[C@](C)(NCc1c(C)nn(C)c1Cl)c1ccccc1 ZINC000775386805 1122537634 /nfs/dbraw/zinc/53/76/34/1122537634.db2.gz GZYYIIMBXWPMIW-INIZCTEOSA-N 0 1 291.826 3.797 20 0 CHADMN CC(C)c1cccc2c1OCCC[C@H]2NCCF ZINC000436309839 1122538151 /nfs/dbraw/zinc/53/81/51/1122538151.db2.gz WCZLTRCHIZSTNK-CQSZACIVSA-N 0 1 251.345 3.583 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1ccn(-c2ccccc2F)n1 ZINC000515764873 1122538373 /nfs/dbraw/zinc/53/83/73/1122538373.db2.gz WJNAIDAERBXXQS-UONOGXRCSA-N 0 1 287.382 3.632 20 0 CHADMN Cc1csc(C(C)(C)NCc2ccc3[nH]ccc3c2)n1 ZINC000515867056 1122546788 /nfs/dbraw/zinc/54/67/88/1122546788.db2.gz GWYWUMSUMUTPJC-UHFFFAOYSA-N 0 1 285.416 3.958 20 0 CHADMN C[C@H]1CCCC[N@H+](Cc2cc([O-])c(Cl)c(F)c2F)C1 ZINC001250387957 1122548707 /nfs/dbraw/zinc/54/87/07/1122548707.db2.gz RFHZOMFRWOJCLE-VIFPVBQESA-N 0 1 289.753 3.946 20 0 CHADMN C[C@H]1CCCC[N@@H+](Cc2cc([O-])c(Cl)c(F)c2F)C1 ZINC001250387957 1122548710 /nfs/dbraw/zinc/54/87/10/1122548710.db2.gz RFHZOMFRWOJCLE-VIFPVBQESA-N 0 1 289.753 3.946 20 0 CHADMN CC[C@H](C)[C@H](C)N1CCO[C@@H](c2ccccc2F)C1 ZINC001190790700 1122554565 /nfs/dbraw/zinc/55/45/65/1122554565.db2.gz CSPCNWQIPXEYRU-HEHGZKQESA-N 0 1 265.372 3.634 20 0 CHADMN O[C@H]1CCCC[C@H]1CSc1nc2ccc(Cl)cc2[nH]1 ZINC000436475861 1122554975 /nfs/dbraw/zinc/55/49/75/1122554975.db2.gz WWXBSFJFESRTMJ-ZANVPECISA-N 0 1 296.823 3.860 20 0 CHADMN CCC[C@@]1(C)CCCN(C(=O)c2c(O)cccc2F)C1 ZINC000436510625 1122555953 /nfs/dbraw/zinc/55/59/53/1122555953.db2.gz GOHWGHRJMRWCRZ-INIZCTEOSA-N 0 1 279.355 3.574 20 0 CHADMN Cc1cccc(Cl)c1CN1CCS[C@@H](C)[C@H]1C ZINC001191022245 1122564947 /nfs/dbraw/zinc/56/49/47/1122564947.db2.gz RSPLJRMXMMRLHE-NEPJUHHUSA-N 0 1 269.841 3.974 20 0 CHADMN CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000436692303 1122571509 /nfs/dbraw/zinc/57/15/09/1122571509.db2.gz WPXSQZPDNFVPRI-WCQYABFASA-N 0 1 295.810 3.990 20 0 CHADMN COc1cc(CN2CCC[C@@H]2/C=C/c2ccccc2)ccn1 ZINC000505869892 1122575017 /nfs/dbraw/zinc/57/50/17/1122575017.db2.gz QNFQODLDQFJPKW-QZEKMECESA-N 0 1 294.398 3.768 20 0 CHADMN CCCCN(CC)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000436739113 1122576489 /nfs/dbraw/zinc/57/64/89/1122576489.db2.gz NFEREWYEAGDKHG-UHFFFAOYSA-N 0 1 290.190 3.961 20 0 CHADMN Cc1ccc(C[C@H]2CCCN(Cc3nccs3)C2)cc1 ZINC000516200402 1122577488 /nfs/dbraw/zinc/57/74/88/1122577488.db2.gz CTNFHRMSNRHDTJ-MRXNPFEDSA-N 0 1 286.444 3.906 20 0 CHADMN COCCN(Cc1cc(C(C)(C)C)on1)[C@@H]1CC[C@@H](C)C1 ZINC000516216797 1122579315 /nfs/dbraw/zinc/57/93/15/1122579315.db2.gz SOPNVDBIOGLCPH-UKRRQHHQSA-N 0 1 294.439 3.609 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1ccn(CCc2ccccc2)n1 ZINC001191194484 1122581187 /nfs/dbraw/zinc/58/11/87/1122581187.db2.gz SQXAXQOVHDRVAN-DLBZAZTESA-N 0 1 297.446 3.746 20 0 CHADMN COC[C@@H](NC/C=C\Cl)c1cccc(C(F)(F)F)c1 ZINC000775442688 1122581905 /nfs/dbraw/zinc/58/19/05/1122581905.db2.gz IGHIGBSUSJXOIW-GCLPIYDQSA-N 0 1 293.716 3.735 20 0 CHADMN CC1(C)CC[C@@H]1NC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436790918 1122583242 /nfs/dbraw/zinc/58/32/42/1122583242.db2.gz JRGCSCPVVGMREM-JTQLQIEISA-N 0 1 288.174 3.617 20 0 CHADMN O=C(Nc1ccc(F)c(F)c1O)NC1CCCCCC1 ZINC001191273910 1122588784 /nfs/dbraw/zinc/58/87/84/1122588784.db2.gz ZKGLNOWLYBEGDR-UHFFFAOYSA-N 0 1 284.306 3.515 20 0 CHADMN Cc1ncoc1CN[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000894323327 1122595490 /nfs/dbraw/zinc/59/54/90/1122595490.db2.gz CYYITJUNOYFKMA-QLJPJBMISA-N 0 1 274.339 3.535 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1nnc(C2CC2)o1 ZINC000516394932 1122595816 /nfs/dbraw/zinc/59/58/16/1122595816.db2.gz QSTQYULELOTONL-WWGRRREGSA-N 0 1 297.402 3.714 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1Cc1nnc(C2CC2)o1 ZINC000516394932 1122595819 /nfs/dbraw/zinc/59/58/19/1122595819.db2.gz QSTQYULELOTONL-WWGRRREGSA-N 0 1 297.402 3.714 20 0 CHADMN Cc1ccc(F)cc1NC(=O)Nc1c(O)cc(F)cc1F ZINC001191410817 1122597234 /nfs/dbraw/zinc/59/72/34/1122597234.db2.gz UZMPLGZSYHFURM-UHFFFAOYSA-N 0 1 296.248 3.762 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1C(=O)c1c(O)cccc1F ZINC000436982333 1122599915 /nfs/dbraw/zinc/59/99/15/1122599915.db2.gz TZLJPYWWGDXPSU-YPMHNXCESA-N 0 1 279.355 3.572 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1C(=O)c1c(O)cccc1F ZINC000436978446 1122599948 /nfs/dbraw/zinc/59/99/48/1122599948.db2.gz VHXFQTIVHNZLTL-CQSZACIVSA-N 0 1 299.345 3.508 20 0 CHADMN Cc1ccccc1CN(Cc1cncn1C(C)C)C1CC1 ZINC000516458007 1122601067 /nfs/dbraw/zinc/60/10/67/1122601067.db2.gz DBESOFKOLFCFPG-UHFFFAOYSA-N 0 1 283.419 3.937 20 0 CHADMN COc1cccc(F)c1[C@H](C)NC[C@@H]1CC1(Cl)Cl ZINC000775458646 1122602939 /nfs/dbraw/zinc/60/29/39/1122602939.db2.gz MDNSUSLTYIOWPE-IUCAKERBSA-N 0 1 292.181 3.679 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H]1CCCc2sccc21 ZINC000437084980 1122612826 /nfs/dbraw/zinc/61/28/26/1122612826.db2.gz YLSZJBGLQRMNHP-RISCZKNCSA-N 0 1 288.416 3.880 20 0 CHADMN Cc1ccc2nc(NC(=O)C(C)(C)c3ccccc3)[nH]c2c1 ZINC000516592240 1122615462 /nfs/dbraw/zinc/61/54/62/1122615462.db2.gz KXCZFCKFOBXBBI-UHFFFAOYSA-N 0 1 293.370 3.788 20 0 CHADMN Cc1ccc(C)c(CN[C@@H](c2ccccc2F)[C@H](C)O)c1 ZINC000516655773 1122618959 /nfs/dbraw/zinc/61/89/59/1122618959.db2.gz LMCNVDLFJVQGIE-KBXCAEBGSA-N 0 1 287.378 3.654 20 0 CHADMN CCC[C@@]1(C)CCCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000437385583 1122632880 /nfs/dbraw/zinc/63/28/80/1122632880.db2.gz NOJUBNHHJNMRPQ-SFHVURJKSA-N 0 1 299.418 3.914 20 0 CHADMN C[C@H]1CCN(Cc2cccc(Cl)c2F)C[C@H]1C ZINC001192261837 1122637367 /nfs/dbraw/zinc/63/73/67/1122637367.db2.gz JRYIGJZEYBGSJH-WDEREUQCSA-N 0 1 255.764 3.957 20 0 CHADMN O=[N+]([O-])c1ccc2c(c1)CN(c1ccnc3ccccc31)C2 ZINC000078476226 1122637380 /nfs/dbraw/zinc/63/73/80/1122637380.db2.gz BOPBHZVMYJXZDA-UHFFFAOYSA-N 0 1 291.310 3.663 20 0 CHADMN COc1cc2nc(-c3cccc(C)c3)[nH]c2cc1F ZINC001250464704 1122637828 /nfs/dbraw/zinc/63/78/28/1122637828.db2.gz JOLIKEGMVPPUNR-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CN(Cc1cc2ccccc2o1)Cc1ccc2c(c1)OCO2 ZINC000506056554 1122638495 /nfs/dbraw/zinc/63/84/95/1122638495.db2.gz VKVYNOSTKYEVQT-UHFFFAOYSA-N 0 1 295.338 3.794 20 0 CHADMN CN(CC(C)(C)C)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000073286369 1122639886 /nfs/dbraw/zinc/63/98/86/1122639886.db2.gz CQIHVIAHIACDDX-UHFFFAOYSA-N 0 1 297.402 3.943 20 0 CHADMN CN(CC[C@@H]1C[C@H]1C1CC1)Cc1nc(-c2ccccc2)c[nH]1 ZINC001192414221 1122642845 /nfs/dbraw/zinc/64/28/45/1122642845.db2.gz VAVJIRFOKFXMMZ-SJORKVTESA-N 0 1 295.430 3.945 20 0 CHADMN Cc1ccc(CN(C)Cc2c[nH]nc2-c2ccsc2)o1 ZINC000437588205 1122644703 /nfs/dbraw/zinc/64/47/03/1122644703.db2.gz IUCBMHHNHWNEFO-UHFFFAOYSA-N 0 1 287.388 3.672 20 0 CHADMN CC(C)[N@H+]1CCCC[C@@H]1CN[C@@H](C(C)(C)C)C(F)(F)F ZINC001192616504 1122654078 /nfs/dbraw/zinc/65/40/78/1122654078.db2.gz KPYTULZJSRVYSP-OLZOCXBDSA-N 0 1 294.405 3.816 20 0 CHADMN CC(C)N1CCCC[C@@H]1CN[C@@H](C(C)(C)C)C(F)(F)F ZINC001192616504 1122654079 /nfs/dbraw/zinc/65/40/79/1122654079.db2.gz KPYTULZJSRVYSP-OLZOCXBDSA-N 0 1 294.405 3.816 20 0 CHADMN C[C@H](CNc1cnccc1-n1cccn1)c1ccc(F)cc1 ZINC000437807153 1122657975 /nfs/dbraw/zinc/65/79/75/1122657975.db2.gz YXXZLMRRFMRFPC-CYBMUJFWSA-N 0 1 296.349 3.622 20 0 CHADMN Cc1ccc2cc(CN3CCOC(C)(C)[C@@H]3C)ccc2n1 ZINC000438115305 1122680218 /nfs/dbraw/zinc/68/02/18/1122680218.db2.gz KIRXFIOIFKTNHU-AWEZNQCLSA-N 0 1 284.403 3.543 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000438120066 1122682519 /nfs/dbraw/zinc/68/25/19/1122682519.db2.gz KQGAUABGKADTBT-JSGCOSHPSA-N 0 1 297.801 3.728 20 0 CHADMN CCOC(=O)[C@@H](C)N(CC[C@H]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC001193472221 1122691576 /nfs/dbraw/zinc/69/15/76/1122691576.db2.gz FDJCBAOVVMJBHK-QXSJWSMHSA-N 0 1 295.467 3.865 20 0 CHADMN CCOC(=O)[C@@H](C)N(CC1CCC(C)(C)CC1)C1CC1 ZINC001193473919 1122691686 /nfs/dbraw/zinc/69/16/86/1122691686.db2.gz RSNZNEYQFNGEAQ-CYBMUJFWSA-N 0 1 281.440 3.619 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2cncc(Br)c2)C1 ZINC000438345611 1122693462 /nfs/dbraw/zinc/69/34/62/1122693462.db2.gz IORWLPPIUGYLPQ-ZDUSSCGKSA-N 0 1 297.240 3.712 20 0 CHADMN Cn1c2ccccc2nc1CN1CCCC2(CCCC2)C1 ZINC000438355172 1122694302 /nfs/dbraw/zinc/69/43/02/1122694302.db2.gz ROXQAOQYIIWXRS-UHFFFAOYSA-N 0 1 283.419 3.730 20 0 CHADMN CC1(C)CCCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000438405843 1122697174 /nfs/dbraw/zinc/69/71/74/1122697174.db2.gz XQWWSIWBKMDTBW-UHFFFAOYSA-N 0 1 281.783 3.698 20 0 CHADMN C[N@@H+](Cc1cc(F)ccc1Br)C1CCCC1 ZINC000506263773 1122707063 /nfs/dbraw/zinc/70/70/63/1122707063.db2.gz YOSASZMIAUTSLX-UHFFFAOYSA-N 0 1 286.188 3.963 20 0 CHADMN CN(Cc1cc(F)ccc1Br)C1CCCC1 ZINC000506263773 1122707066 /nfs/dbraw/zinc/70/70/66/1122707066.db2.gz YOSASZMIAUTSLX-UHFFFAOYSA-N 0 1 286.188 3.963 20 0 CHADMN Cc1c(CN[C@H](C)c2cc3ccc(C)cc3o2)cnn1C ZINC000426064471 1122709937 /nfs/dbraw/zinc/70/99/37/1122709937.db2.gz YHZMBFWJWTVUKB-GFCCVEGCSA-N 0 1 283.375 3.634 20 0 CHADMN COC(=O)c1ccccc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000506285165 1122711410 /nfs/dbraw/zinc/71/14/10/1122711410.db2.gz ZARHJVYWJKDEIH-GOSISDBHSA-N 0 1 295.382 3.810 20 0 CHADMN COC(=O)c1ccccc1CN1CCC[C@@H]1c1ccccc1 ZINC000506285165 1122711412 /nfs/dbraw/zinc/71/14/12/1122711412.db2.gz ZARHJVYWJKDEIH-GOSISDBHSA-N 0 1 295.382 3.810 20 0 CHADMN Cc1nnsc1CN[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000293718646 1122716733 /nfs/dbraw/zinc/71/67/33/1122716733.db2.gz PKXBFEWRIYGXTB-LSDHHAIUSA-N 0 1 287.432 3.821 20 0 CHADMN COC(=O)c1ccc(CN2CCC[C@@H]2c2ccc(C)cc2)o1 ZINC000506338280 1122721139 /nfs/dbraw/zinc/72/11/39/1122721139.db2.gz FGEPNRUFHCLGGT-MRXNPFEDSA-N 0 1 299.370 3.712 20 0 CHADMN Cc1ccc(CN2CCO[C@H](c3ccccc3)C2)c(C)c1 ZINC000506338804 1122721974 /nfs/dbraw/zinc/72/19/74/1122721974.db2.gz HAYGXKUGYFPXGZ-IBGZPJMESA-N 0 1 281.399 3.877 20 0 CHADMN COc1ccc(-c2ccccc2)cc1CN1CCSCC1 ZINC000506339034 1122722184 /nfs/dbraw/zinc/72/21/84/1122722184.db2.gz FKZVLFGMQZZAGS-UHFFFAOYSA-N 0 1 299.439 3.911 20 0 CHADMN c1sc(C2CC2)nc1CN[C@@H]1CCOC12CCCCC2 ZINC000925037222 1122723085 /nfs/dbraw/zinc/72/30/85/1122723085.db2.gz LBLBHSIXYABMOL-CQSZACIVSA-N 0 1 292.448 3.602 20 0 CHADMN Cc1cc(F)ccc1-c1ccc(CN2CCSCC2)o1 ZINC000506372183 1122725673 /nfs/dbraw/zinc/72/56/73/1122725673.db2.gz VPDKOGOEGGHSMW-UHFFFAOYSA-N 0 1 291.391 3.943 20 0 CHADMN CCC[C@H](O)CN(Cc1ccco1)Cc1cccs1 ZINC000295003318 1122740210 /nfs/dbraw/zinc/74/02/10/1122740210.db2.gz AIGCXXVRKDDLSQ-ZDUSSCGKSA-N 0 1 279.405 3.504 20 0 CHADMN Cc1ccccc1[C@H](N[C@H](C)c1cn(C)cn1)C1CC1 ZINC000925043227 1122741748 /nfs/dbraw/zinc/74/17/48/1122741748.db2.gz BYGSJSNSMMQTOO-CXAGYDPISA-N 0 1 269.392 3.530 20 0 CHADMN C[C@H]1C[C@H](CCN2CCOC[C@@H]2CC(F)F)C[C@@H](C)C1 ZINC001194115974 1122746867 /nfs/dbraw/zinc/74/68/67/1122746867.db2.gz IYANEBPRXXGRPX-YJNKXOJESA-N 0 1 289.410 3.805 20 0 CHADMN Cc1cnc(CNC(C)(C)Cc2ccccc2Cl)o1 ZINC000638581010 1122749530 /nfs/dbraw/zinc/74/95/30/1122749530.db2.gz CNQJFZMSPRXBGE-UHFFFAOYSA-N 0 1 278.783 3.747 20 0 CHADMN COc1ccc2nc(SC[C@H](C)C(F)(F)F)[nH]c2c1 ZINC000439052931 1122750317 /nfs/dbraw/zinc/75/03/17/1122750317.db2.gz VXTLVYHDSKYISX-ZETCQYMHSA-N 0 1 290.310 3.862 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cccc(F)c2)cn1 ZINC001203790322 1122758759 /nfs/dbraw/zinc/75/87/59/1122758759.db2.gz SUCASZZOADYXPS-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN O=C(Nc1cnccc1N1CCCCC1)Oc1ccccc1 ZINC001194225218 1122759853 /nfs/dbraw/zinc/75/98/53/1122759853.db2.gz XIJPHRNEOJWUEU-UHFFFAOYSA-N 0 1 297.358 3.683 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2c3cc(F)ccc3C[C@H]2C)o1 ZINC000426339212 1122767274 /nfs/dbraw/zinc/76/72/74/1122767274.db2.gz KAPGAFWFMMRKKE-QGHHPUGFSA-N 0 1 288.366 3.708 20 0 CHADMN CC[N@@H+](CC(C)C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000153759067 1129076954 /nfs/dbraw/zinc/07/69/54/1129076954.db2.gz BGSOCZXVZPHDFT-NSHDSACASA-N 0 1 279.409 3.837 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2)CCS1 ZINC000426369401 1122776935 /nfs/dbraw/zinc/77/69/35/1122776935.db2.gz DYVKORXDJIAVHW-JTQLQIEISA-N 0 1 273.804 3.807 20 0 CHADMN C[C@H]1CCN(Cc2cc(F)cc(Cl)c2)CCS1 ZINC000426369401 1122776939 /nfs/dbraw/zinc/77/69/39/1122776939.db2.gz DYVKORXDJIAVHW-JTQLQIEISA-N 0 1 273.804 3.807 20 0 CHADMN C[C@H]1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1(F)F ZINC000426383749 1122779978 /nfs/dbraw/zinc/77/99/78/1122779978.db2.gz WEVAHNANIGOLFS-LBPRGKRZSA-N 0 1 291.345 3.554 20 0 CHADMN COc1ccc(Cl)cc1CN1CCSC[C@H]1C1CC1 ZINC001194519820 1122781195 /nfs/dbraw/zinc/78/11/95/1122781195.db2.gz TZMJQHYUVDIFME-AWEZNQCLSA-N 0 1 297.851 3.676 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CCCO[C@H](CC)C1 ZINC000439473382 1122782028 /nfs/dbraw/zinc/78/20/28/1122782028.db2.gz LPYQAGUOLCFXGO-CJNGLKHVSA-N 0 1 283.362 3.917 20 0 CHADMN Cc1nc2ccc(C[N@@H+]3CCSC[C@H]3C)cc2s1 ZINC000426403561 1122784704 /nfs/dbraw/zinc/78/47/04/1122784704.db2.gz GINOGHWNAUBVNX-SNVBAGLBSA-N 0 1 278.446 3.542 20 0 CHADMN Cc1nc2ccc(CN3CCSC[C@H]3C)cc2s1 ZINC000426403561 1122784706 /nfs/dbraw/zinc/78/47/06/1122784706.db2.gz GINOGHWNAUBVNX-SNVBAGLBSA-N 0 1 278.446 3.542 20 0 CHADMN CC[C@H](OCCN1CCC[C@@](C)(F)C1)c1ccccc1 ZINC001194598931 1122785467 /nfs/dbraw/zinc/78/54/67/1122785467.db2.gz HVRVZUCJJRCEMX-DLBZAZTESA-N 0 1 279.399 3.978 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2cc(F)ccc2F)CCCO1 ZINC000439483795 1122785738 /nfs/dbraw/zinc/78/57/38/1122785738.db2.gz MGUHAFAYTAQDIX-DGCLKSJQSA-N 0 1 269.335 3.527 20 0 CHADMN COc1cc(CN2Cc3cc(C)ccc3CC2(C)C)ccn1 ZINC001194607664 1122786480 /nfs/dbraw/zinc/78/64/80/1122786480.db2.gz KKMQCBSTMQIVFK-UHFFFAOYSA-N 0 1 296.414 3.736 20 0 CHADMN Cc1nc([C@](C)(NCC2CCC3(CC3)CC2)C2CC2)no1 ZINC001194641272 1122787632 /nfs/dbraw/zinc/78/76/32/1122787632.db2.gz SUXMTWJIIGJWEJ-MRXNPFEDSA-N 0 1 289.423 3.563 20 0 CHADMN Cc1nc2ccc(CN(C)Cc3ccoc3)cc2s1 ZINC000426410090 1122788837 /nfs/dbraw/zinc/78/88/37/1122788837.db2.gz KFQMOZUYMMZGBW-UHFFFAOYSA-N 0 1 272.373 3.830 20 0 CHADMN CC(C)(C)c1nc(CN2CC[C@H]3CCC[C@H]32)cs1 ZINC000426458990 1122797152 /nfs/dbraw/zinc/79/71/52/1122797152.db2.gz KTNCTFGUQIJOTA-DGCLKSJQSA-N 0 1 264.438 3.815 20 0 CHADMN CN(Cc1cc(Cl)cc(Cl)c1F)CC(C)(C)CO ZINC001194724103 1122798404 /nfs/dbraw/zinc/79/84/04/1122798404.db2.gz PTUDKJVNIMPBND-UHFFFAOYSA-N 0 1 294.197 3.583 20 0 CHADMN CC(C)(C)c1csc(CN2CC[C@H]3CCC[C@@H]32)n1 ZINC000426475708 1122800879 /nfs/dbraw/zinc/80/08/79/1122800879.db2.gz ZGZLYYJCXDLRMP-NEPJUHHUSA-N 0 1 264.438 3.815 20 0 CHADMN CC(C)C(C)(C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000439720478 1122802446 /nfs/dbraw/zinc/80/24/46/1122802446.db2.gz NBHHOSIESDBHIH-UHFFFAOYSA-N 0 1 273.735 3.805 20 0 CHADMN CC[C@H](C)COC(=O)Nc1cccc(Cl)c1O ZINC001194801326 1122804650 /nfs/dbraw/zinc/80/46/50/1122804650.db2.gz VGVIWINODZWOKQ-QMMMGPOBSA-N 0 1 257.717 3.640 20 0 CHADMN Fc1cc(CN2CCC([C@@H]3CCCO3)CC2)ccc1Cl ZINC000439767643 1122805135 /nfs/dbraw/zinc/80/51/35/1122805135.db2.gz KDPWXMRGIDVHCJ-INIZCTEOSA-N 0 1 297.801 3.870 20 0 CHADMN FC1(F)Oc2cccc(CN3CCC[C@@H](C4CC4)C3)c2O1 ZINC001194805247 1122805526 /nfs/dbraw/zinc/80/55/26/1122805526.db2.gz IAZVQHYRLZBMLF-GFCCVEGCSA-N 0 1 295.329 3.630 20 0 CHADMN FC(F)(F)c1coc(CN2CCC[C@@H](C3CC3)C2)c1 ZINC001194808136 1122806607 /nfs/dbraw/zinc/80/66/07/1122806607.db2.gz XMPTYUCMVBVZKM-LLVKDONJSA-N 0 1 273.298 3.920 20 0 CHADMN COc1ccccc1CN1CCc2sccc2[C@H]1C ZINC000506743670 1122819485 /nfs/dbraw/zinc/81/94/85/1122819485.db2.gz MVXIDWNFCVOKRY-GFCCVEGCSA-N 0 1 273.401 3.876 20 0 CHADMN C[C@H]1c2ccsc2CCN1Cc1c[nH]nc1C(C)(C)C ZINC000506742155 1122819987 /nfs/dbraw/zinc/81/99/87/1122819987.db2.gz DHRFQKYVRVFFON-NSHDSACASA-N 0 1 289.448 3.888 20 0 CHADMN CN(Cc1c(C2CC2)nc2sccn12)[C@@H]1CC1(C)C ZINC000426568295 1122825116 /nfs/dbraw/zinc/82/51/16/1122825116.db2.gz ZVIYCEKMOWJJPF-GFCCVEGCSA-N 0 1 275.421 3.504 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccnnc1)c1ccc(Cl)s1 ZINC000925067939 1122831452 /nfs/dbraw/zinc/83/14/52/1122831452.db2.gz RAWSPBXYDSXTKV-GXSJLCMTSA-N 0 1 281.812 3.993 20 0 CHADMN Cc1cc(-c2noc([C@@H]3CCC[C@@H]4C[C@@H]43)n2)cc2nc[nH]c21 ZINC000664795209 1122834398 /nfs/dbraw/zinc/83/43/98/1122834398.db2.gz POKYKRGLRNYZKZ-RTXFEEFZSA-N 0 1 294.358 3.825 20 0 CHADMN C[C@H](C(=O)OC(C)(C)C)N(C[C@@H](C)C(C)(C)C)C1CC1 ZINC001195044694 1122835203 /nfs/dbraw/zinc/83/52/03/1122835203.db2.gz BOSCRWVRTYWAEU-CHWSQXEVSA-N 0 1 283.456 3.863 20 0 CHADMN C[C@@H]1C[C@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC001250614793 1122835943 /nfs/dbraw/zinc/83/59/43/1122835943.db2.gz JVDLJAMODQSWBX-IYSWYEEDSA-N 0 1 258.218 3.844 20 0 CHADMN Cc1cc(C(=O)CN2CCC[C@H]2c2cccs2)c(C)[nH]1 ZINC000073621702 1122838667 /nfs/dbraw/zinc/83/86/67/1122838667.db2.gz LEUAMIWAGXCMGW-AWEZNQCLSA-N 0 1 288.416 3.713 20 0 CHADMN CSc1ccccc1NC(=O)CN(C)CCC(C)(C)C ZINC000154062910 1129082002 /nfs/dbraw/zinc/08/20/02/1129082002.db2.gz CUWZKUSMJBQNLU-UHFFFAOYSA-N 0 1 294.464 3.715 20 0 CHADMN CC[C@@H]1CCCN1C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000473631767 1122852908 /nfs/dbraw/zinc/85/29/08/1122852908.db2.gz ZHLFLWJCILBEEG-OAHLLOKOSA-N 0 1 297.402 3.708 20 0 CHADMN CCCC[N@@H+](CC)CC(=O)Nc1cccc2ccccc21 ZINC000302833590 1122860318 /nfs/dbraw/zinc/86/03/18/1122860318.db2.gz PLLDFNWCMYFBCL-UHFFFAOYSA-N 0 1 284.403 3.900 20 0 CHADMN CCCCN(CC)CC(=O)Nc1cccc2ccccc21 ZINC000302833590 1122860320 /nfs/dbraw/zinc/86/03/20/1122860320.db2.gz PLLDFNWCMYFBCL-UHFFFAOYSA-N 0 1 284.403 3.900 20 0 CHADMN CC1(C)CN(CCCCCF)[C@@H]1c1ccncc1 ZINC000664828553 1122871422 /nfs/dbraw/zinc/87/14/22/1122871422.db2.gz GQKNYBHXXYTEBL-CQSZACIVSA-N 0 1 250.361 3.604 20 0 CHADMN CC1(C)CN(CCCCCF)[C@H]1c1ccncc1 ZINC000664828552 1122871570 /nfs/dbraw/zinc/87/15/70/1122871570.db2.gz GQKNYBHXXYTEBL-AWEZNQCLSA-N 0 1 250.361 3.604 20 0 CHADMN C[C@@H](c1cn(-c2ccccc2)nn1)N(C)CCC(C)(C)C ZINC001195497012 1122872651 /nfs/dbraw/zinc/87/26/51/1122872651.db2.gz FHBQPJWIWJNCOS-AWEZNQCLSA-N 0 1 286.423 3.696 20 0 CHADMN Cc1cc[nH]c1C(=O)Nc1cc(Cl)c(C)c(Cl)c1O ZINC001195496666 1122873270 /nfs/dbraw/zinc/87/32/70/1122873270.db2.gz WYGRPZXEVVGFHW-UHFFFAOYSA-N 0 1 299.157 3.896 20 0 CHADMN CC(C)CSCCC[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440459253 1122875271 /nfs/dbraw/zinc/87/52/71/1122875271.db2.gz IJANYSKLYGDMQU-UHFFFAOYSA-N 0 1 295.496 3.811 20 0 CHADMN CC(C)CSCCCN(C)Cc1cnc(C(C)C)nc1 ZINC000440459253 1122875276 /nfs/dbraw/zinc/87/52/76/1122875276.db2.gz IJANYSKLYGDMQU-UHFFFAOYSA-N 0 1 295.496 3.811 20 0 CHADMN Cc1cc(F)ncc1CNCc1ccc(C2CC2)cc1F ZINC000894583141 1122876256 /nfs/dbraw/zinc/87/62/56/1122876256.db2.gz VGLWYFZUWWQVLR-UHFFFAOYSA-N 0 1 288.341 3.835 20 0 CHADMN CC(C)=CCCN(CC(=O)OC(C)(C)C)C1CCC1 ZINC001195639401 1122879318 /nfs/dbraw/zinc/87/93/18/1122879318.db2.gz UEIHSRWRGUMJCS-UHFFFAOYSA-N 0 1 267.413 3.539 20 0 CHADMN CC[C@H]1CN(CCSc2cccc(Cl)c2)[C@@H](C)CO1 ZINC001195749388 1122887286 /nfs/dbraw/zinc/88/72/86/1122887286.db2.gz SFEAGLIOHSIERM-JSGCOSHPSA-N 0 1 299.867 3.931 20 0 CHADMN C[C@@H]1CN(CC=C(Cl)Cl)CCc2ccccc21 ZINC001195808803 1122890684 /nfs/dbraw/zinc/89/06/84/1122890684.db2.gz CRFYPGBUZIIANB-LLVKDONJSA-N 0 1 270.203 3.967 20 0 CHADMN Fc1ccccc1C[C@@H]1CCCC[N@H+]1C/C=C\Cl ZINC001195874299 1122895049 /nfs/dbraw/zinc/89/50/49/1122895049.db2.gz SIICZYMCFISAKJ-UQYHUFHVSA-N 0 1 267.775 3.975 20 0 CHADMN Fc1ccccc1C[C@@H]1CCCCN1C/C=C\Cl ZINC001195874299 1122895053 /nfs/dbraw/zinc/89/50/53/1122895053.db2.gz SIICZYMCFISAKJ-UQYHUFHVSA-N 0 1 267.775 3.975 20 0 CHADMN COC/C(C)=C/CN1CCc2oc(-c3ccccc3)cc2C1 ZINC001195876065 1122896177 /nfs/dbraw/zinc/89/61/77/1122896177.db2.gz FUHGWOOQROUWFH-OVCLIPMQSA-N 0 1 297.398 3.897 20 0 CHADMN Cc1ccoc1CNCc1ccc(OC(F)(F)F)cc1 ZINC000266223261 1129085514 /nfs/dbraw/zinc/08/55/14/1129085514.db2.gz RRFDRZAQRCDXAZ-UHFFFAOYSA-N 0 1 285.265 3.776 20 0 CHADMN CC[C@@H](c1cccc(OC)c1)N(C)Cc1[nH]nc(C)c1C ZINC000894785699 1122905462 /nfs/dbraw/zinc/90/54/62/1122905462.db2.gz ZWTLMITXNIWXAE-KRWDZBQOSA-N 0 1 287.407 3.618 20 0 CHADMN Cc1[nH]nc(CN2CC(C)(C)[C@@H]2c2cccs2)c1C ZINC000894785602 1122905837 /nfs/dbraw/zinc/90/58/37/1122905837.db2.gz XCYZOXPYJGLJGZ-AWEZNQCLSA-N 0 1 275.421 3.671 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1cnc2onc(C)c2c1 ZINC000894783458 1122906252 /nfs/dbraw/zinc/90/62/52/1122906252.db2.gz VEJHYWXXLWXWFH-INIZCTEOSA-N 0 1 296.374 3.509 20 0 CHADMN c1cc2cc(N[C@@H]3CC[C@H]4COCC[C@@H]4C3)ccc2cn1 ZINC000894808249 1122906652 /nfs/dbraw/zinc/90/66/52/1122906652.db2.gz KMXHHDUBDLCVAF-UWWQBHOKSA-N 0 1 282.387 3.852 20 0 CHADMN C[C@H]1c2c(F)cccc2CC[N@@H+]1CC1CC(F)(F)C1 ZINC000519579103 1122906885 /nfs/dbraw/zinc/90/68/85/1122906885.db2.gz YCOMLSCQOVWAQB-JTQLQIEISA-N 0 1 269.310 3.790 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)[N@H+]1CCOC2(CCC2)C1 ZINC000154293495 1129086099 /nfs/dbraw/zinc/08/60/99/1129086099.db2.gz QWLMUHOCOBVGJU-HNNXBMFYSA-N 0 1 263.356 3.532 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)N1CCOC2(CCC2)C1 ZINC000154293495 1129086104 /nfs/dbraw/zinc/08/61/04/1129086104.db2.gz QWLMUHOCOBVGJU-HNNXBMFYSA-N 0 1 263.356 3.532 20 0 CHADMN CCCc1ccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1 ZINC000506912305 1122911890 /nfs/dbraw/zinc/91/18/90/1122911890.db2.gz QTRSKDKTRHLYCH-UHFFFAOYSA-N 0 1 297.280 3.633 20 0 CHADMN Cc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2cc3ccccc3o2)o1 ZINC000426780866 1122915427 /nfs/dbraw/zinc/91/54/27/1122915427.db2.gz AVIVFXPIRFLHJP-CQSZACIVSA-N 0 1 299.326 3.640 20 0 CHADMN O=C([O-])[C@H]([NH2+]Cc1ccc2ccccc2c1)c1ccsc1 ZINC000426785152 1122916373 /nfs/dbraw/zinc/91/63/73/1122916373.db2.gz VYOYWQMCUPHQBS-MRXNPFEDSA-N 0 1 297.379 3.817 20 0 CHADMN CCCCC[C@H](CC)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000775709280 1122917495 /nfs/dbraw/zinc/91/74/95/1122917495.db2.gz RYGPZYSWAZBPJD-NSHDSACASA-N 0 1 290.367 3.610 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1cc(F)cc(F)c1 ZINC000506995142 1122917899 /nfs/dbraw/zinc/91/78/99/1122917899.db2.gz ODRMZSRBOLKFRE-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN CCc1cccc(F)c1CN(C)CCc1nccs1 ZINC000353657179 1122920468 /nfs/dbraw/zinc/92/04/68/1122920468.db2.gz NEFSXRIWQDQGDJ-UHFFFAOYSA-N 0 1 278.396 3.519 20 0 CHADMN Cc1[nH]nc(CN2CC[C@H](C)Sc3ccccc32)c1C ZINC001205774097 1122921870 /nfs/dbraw/zinc/92/18/70/1122921870.db2.gz YBGNQDUXHCAZIP-NSHDSACASA-N 0 1 287.432 3.917 20 0 CHADMN CCn1cc(CN(Cc2cccc(Cl)c2)C(C)C)cn1 ZINC000154469397 1129087617 /nfs/dbraw/zinc/08/76/17/1129087617.db2.gz WHUSBOMZNNTWNW-UHFFFAOYSA-N 0 1 291.826 3.967 20 0 CHADMN CCc1nocc1CN(Cc1ccc(F)cc1)C(C)C ZINC000507233694 1122942273 /nfs/dbraw/zinc/94/22/73/1122942273.db2.gz VRDWCLGDLDAKLV-UHFFFAOYSA-N 0 1 276.355 3.787 20 0 CHADMN CCCCn1nc(C)c(CN2CC[C@@H]2C(C)C)c1Cl ZINC000775765771 1122951076 /nfs/dbraw/zinc/95/10/76/1122951076.db2.gz RDYVKCIYINIXMX-CQSZACIVSA-N 0 1 283.847 3.875 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccc(F)cc1 ZINC000507471454 1122958064 /nfs/dbraw/zinc/95/80/64/1122958064.db2.gz PEUFXMANNWZKIR-LBPRGKRZSA-N 0 1 258.340 3.634 20 0 CHADMN COc1cc(-c2nc3ccc(F)cc3[nH]2)ccc1F ZINC000134159874 1122964402 /nfs/dbraw/zinc/96/44/02/1122964402.db2.gz GDCRFLVCHQGQOJ-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN Clc1ccc(OCC2CC2)c(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC001197692953 1122966720 /nfs/dbraw/zinc/96/67/20/1122966720.db2.gz RHAJEWWRYGSEHJ-BETUJISGSA-N 0 1 277.795 3.581 20 0 CHADMN Nc1cccc(-c2nc3ccc(C(F)F)cc3[nH]2)c1 ZINC001251558037 1122967985 /nfs/dbraw/zinc/96/79/85/1122967985.db2.gz WYDXYMYUEOLDIN-UHFFFAOYSA-N 0 1 259.259 3.750 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3C[C@H](C)C[C@H]3C)n[nH]2)c(C)c1 ZINC000427459490 1122978829 /nfs/dbraw/zinc/97/88/29/1122978829.db2.gz NDYJUGHIRYHDHR-TZMCWYRMSA-N 0 1 297.402 3.564 20 0 CHADMN CCN(Cc1ccc(C)o1)Cc1ccc(OC)cc1 ZINC000154669513 1129090834 /nfs/dbraw/zinc/09/08/34/1129090834.db2.gz LESSALBOINOTSW-UHFFFAOYSA-N 0 1 259.349 3.619 20 0 CHADMN C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@@H](C)C1 ZINC000334345432 1122991462 /nfs/dbraw/zinc/99/14/62/1122991462.db2.gz OWFVCDMLGNOEGO-MNOVXSKESA-N 0 1 291.395 3.747 20 0 CHADMN C[C@@H](c1nnc(-c2ccccc2F)s1)N1CC[C@@H](C)C1 ZINC000334345432 1122991466 /nfs/dbraw/zinc/99/14/66/1122991466.db2.gz OWFVCDMLGNOEGO-MNOVXSKESA-N 0 1 291.395 3.747 20 0 CHADMN Cc1cccc([C@@H](C)NC(=O)c2[nH]nc3c2CC[C@@H]3C)c1C ZINC001198478232 1122995494 /nfs/dbraw/zinc/99/54/94/1122995494.db2.gz VNODSXDTTKKWBO-WCQYABFASA-N 0 1 297.402 3.567 20 0 CHADMN ClC1(Cl)C[C@H]1CN1Cc2ccccc2C2(CC2)C1 ZINC000775871517 1122999231 /nfs/dbraw/zinc/99/92/31/1122999231.db2.gz KFXJMZHHKMKHPS-LBPRGKRZSA-N 0 1 282.214 3.728 20 0 CHADMN Cc1cccnc1[C@H](C)NCc1ccc(F)c2cccnc12 ZINC001198640906 1123003462 /nfs/dbraw/zinc/00/34/62/1123003462.db2.gz KAEBTVOUYRPGBJ-ZDUSSCGKSA-N 0 1 295.361 3.928 20 0 CHADMN Cc1ccc(F)c(CN2CCCC[C@@H]2[C@H]2CCCO2)c1F ZINC001198684699 1123007099 /nfs/dbraw/zinc/00/70/99/1123007099.db2.gz CXVMALSVSMTADM-HZPDHXFCSA-N 0 1 295.373 3.807 20 0 CHADMN C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CC[C@H](C)C1 ZINC000334408805 1123007449 /nfs/dbraw/zinc/00/74/49/1123007449.db2.gz IIDLTRQLRMDVLD-QWRGUYRKSA-N 0 1 291.782 3.793 20 0 CHADMN CC[C@@H](F)CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000440519449 1123009623 /nfs/dbraw/zinc/00/96/23/1123009623.db2.gz MIDWWNSFFVUVCB-NXEZZACHSA-N 0 1 255.299 3.645 20 0 CHADMN Fc1cc(F)c2c(c1)CCN(CC1CCCC1)C2 ZINC001198844883 1123012499 /nfs/dbraw/zinc/01/24/99/1123012499.db2.gz VOFCAKIIHWXOLC-UHFFFAOYSA-N 0 1 251.320 3.513 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3C[C@H](C)C[C@@H]3C)n[nH]2)cc1C ZINC000440534198 1123012628 /nfs/dbraw/zinc/01/26/28/1123012628.db2.gz SSZDSUKDQBNHTE-RISCZKNCSA-N 0 1 297.402 3.564 20 0 CHADMN CC[C@@]1(C)CCC[N@@H+](CC[C@H](C(=O)[O-])c2ccccc2)C1 ZINC000519645045 1123013081 /nfs/dbraw/zinc/01/30/81/1123013081.db2.gz STGKRYYHFSCPCZ-WMZOPIPTSA-N 0 1 289.419 3.757 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2ccsc2C)on1 ZINC000334434334 1123015908 /nfs/dbraw/zinc/01/59/08/1123015908.db2.gz NPBGONMXVDFWLX-CYBMUJFWSA-N 0 1 262.378 3.690 20 0 CHADMN Clc1sccc1CN1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000334444526 1123016595 /nfs/dbraw/zinc/01/65/95/1123016595.db2.gz GUUWGMOXLNKVOE-ZDUSSCGKSA-N 0 1 297.851 3.793 20 0 CHADMN Fc1ccc(Oc2ccc(CNCc3c[nH]cn3)cc2)cc1 ZINC001199053178 1123019742 /nfs/dbraw/zinc/01/97/42/1123019742.db2.gz UQBNWXVDKNIZJB-UHFFFAOYSA-N 0 1 297.333 3.631 20 0 CHADMN Clc1nccc2cc(CN3CC[C@H]3C3CC3)sc21 ZINC000894883530 1123021008 /nfs/dbraw/zinc/02/10/08/1123021008.db2.gz ZGIYXFZTQJJDQZ-LBPRGKRZSA-N 0 1 278.808 3.934 20 0 CHADMN COc1cc2c(cc1CN[C@@H](C)c1ccc(C)cc1)OCO2 ZINC001199430989 1123029356 /nfs/dbraw/zinc/02/93/56/1123029356.db2.gz VMZKQBAWYJDWBQ-ZDUSSCGKSA-N 0 1 299.370 3.583 20 0 CHADMN CC[C@](C)(NCc1ccc(OC)cn1)c1ccccc1 ZINC000776005631 1123033719 /nfs/dbraw/zinc/03/37/19/1123033719.db2.gz AMBLNUTVFUCYTK-KRWDZBQOSA-N 0 1 270.376 3.505 20 0 CHADMN C[C@@H]1C[C@H](C)N1Cc1cnc(CCc2ccccc2)s1 ZINC000519863960 1123034013 /nfs/dbraw/zinc/03/40/13/1123034013.db2.gz AOGUIEDKUFQJIV-OKILXGFUSA-N 0 1 286.444 3.911 20 0 CHADMN CCCN(Cc1nc(CCC(C)C)no1)CC(C)C ZINC000519907148 1123035665 /nfs/dbraw/zinc/03/56/65/1123035665.db2.gz MIJWNNJMOIFHCS-UHFFFAOYSA-N 0 1 267.417 3.526 20 0 CHADMN CC[C@H](F)CN[C@H](CC(=O)OC(C)C)c1ccc(C)cc1 ZINC000440786780 1123040757 /nfs/dbraw/zinc/04/07/57/1123040757.db2.gz TXCCGDZCRWKWSF-JKSUJKDBSA-N 0 1 295.398 3.716 20 0 CHADMN CC(C)CCOCCN([C@H](C)c1ccco1)C1CC1 ZINC000440903514 1123046591 /nfs/dbraw/zinc/04/65/91/1123046591.db2.gz ALBAUZUOVLLCHR-CQSZACIVSA-N 0 1 265.397 3.868 20 0 CHADMN CCCCCC[C@H](C)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000760029389 1123047313 /nfs/dbraw/zinc/04/73/13/1123047313.db2.gz DYNNFEIXCJXPFK-NSHDSACASA-N 0 1 278.400 3.617 20 0 CHADMN CCCCCC[C@H](C)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000760029389 1123047317 /nfs/dbraw/zinc/04/73/17/1123047317.db2.gz DYNNFEIXCJXPFK-NSHDSACASA-N 0 1 278.400 3.617 20 0 CHADMN CC1(C)CN(Cc2cc3ccccc3o2)[C@@H]2CCC[C@H]2O1 ZINC000440946470 1123049463 /nfs/dbraw/zinc/04/94/63/1123049463.db2.gz VDBSVCNEPUESFT-NVXWUHKLSA-N 0 1 285.387 3.965 20 0 CHADMN CCc1ccc2c(c1)[C@H](NCc1ccc(OC)cc1)CCO2 ZINC000082503444 1123053789 /nfs/dbraw/zinc/05/37/89/1123053789.db2.gz PPHKGWVPEXNIAO-GOSISDBHSA-N 0 1 297.398 3.871 20 0 CHADMN CSC[C@H](C)N[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000925096492 1123055736 /nfs/dbraw/zinc/05/57/36/1123055736.db2.gz OBAZXUDENHURRU-YOEHRIQHSA-N 0 1 286.444 3.821 20 0 CHADMN CCc1noc([C@H](C)N2C[C@@H](c3ccccc3)C(C)(C)C2)n1 ZINC000441067603 1123056831 /nfs/dbraw/zinc/05/68/31/1123056831.db2.gz BKSBLVKMVIBGGV-ZFWWWQNUSA-N 0 1 299.418 3.819 20 0 CHADMN Cc1cc(F)cc(CN2CCC(F)(F)[C@H](C)C2)c1 ZINC001143580458 1123064889 /nfs/dbraw/zinc/06/48/89/1123064889.db2.gz KTLQVLAPSSNZII-LLVKDONJSA-N 0 1 257.299 3.611 20 0 CHADMN CCCCN(Cc1ccn(-c2ccc(F)cc2)n1)C1CC1 ZINC000441209755 1123068548 /nfs/dbraw/zinc/06/85/48/1123068548.db2.gz WBZJADAQRBNMNT-UHFFFAOYSA-N 0 1 287.382 3.776 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@](CF)(C(F)(F)F)C2)c1 ZINC001143580656 1123072694 /nfs/dbraw/zinc/07/26/94/1123072694.db2.gz RANDFBMWVBAXBT-CYBMUJFWSA-N 0 1 293.279 3.858 20 0 CHADMN CC(C)OC(=O)CC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000441265936 1123073030 /nfs/dbraw/zinc/07/30/30/1123073030.db2.gz MXFPVVHDWBYZJO-HNNXBMFYSA-N 0 1 295.810 3.819 20 0 CHADMN CC(C)OC(=O)CCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000441265936 1123073036 /nfs/dbraw/zinc/07/30/36/1123073036.db2.gz MXFPVVHDWBYZJO-HNNXBMFYSA-N 0 1 295.810 3.819 20 0 CHADMN CSc1ccc(CN2CCSC(C)(C)C2)s1 ZINC000520297290 1123073092 /nfs/dbraw/zinc/07/30/92/1123073092.db2.gz SODMOQDFTNTFJG-UHFFFAOYSA-N 0 1 273.492 3.797 20 0 CHADMN CCOc1ccc(CN2Cc3cccc(C)c3C2)cc1 ZINC001203963401 1123073410 /nfs/dbraw/zinc/07/34/10/1123073410.db2.gz OZOHCVQYWFCYQQ-UHFFFAOYSA-N 0 1 267.372 3.910 20 0 CHADMN N#Cc1cnn(-c2cccc(Cl)c2)c1Nc1ccncc1 ZINC000082714632 1123080944 /nfs/dbraw/zinc/08/09/44/1123080944.db2.gz JQDGJMBVUJMSDM-UHFFFAOYSA-N 0 1 295.733 3.536 20 0 CHADMN Cc1c2cc(Cl)ccc2sc1CNCc1cc[nH]n1 ZINC000441344093 1123081048 /nfs/dbraw/zinc/08/10/48/1123081048.db2.gz XNDZDEYSMLBXGW-UHFFFAOYSA-N 0 1 291.807 3.876 20 0 CHADMN c1cc(Cc2ccc(Nc3ccncc3)cc2)ccn1 ZINC000082716498 1123082722 /nfs/dbraw/zinc/08/27/22/1123082722.db2.gz OGLWSGAZWILHOV-UHFFFAOYSA-N 0 1 261.328 3.811 20 0 CHADMN Cc1cccc(CNc2ccc3c[nH]nc3c2)c1F ZINC000083409861 1123086037 /nfs/dbraw/zinc/08/60/37/1123086037.db2.gz TTYDZQQDHTWUEN-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN C[C@H]1C[C@@H](NCc2cc3c(cccc3O)s2)c2nccn21 ZINC000894911315 1123088407 /nfs/dbraw/zinc/08/84/07/1123088407.db2.gz GHOADHHCQKFSBV-GXFFZTMASA-N 0 1 299.399 3.599 20 0 CHADMN COc1ccc([C@H](C)NCc2ccco2)cc1Cl ZINC000112515189 1123090274 /nfs/dbraw/zinc/09/02/74/1123090274.db2.gz NIMPLPXTISOAGX-JTQLQIEISA-N 0 1 265.740 3.792 20 0 CHADMN Clc1cc2ncoc2c(N=C2CCSCC2)c1 ZINC001201346711 1123090597 /nfs/dbraw/zinc/09/05/97/1123090597.db2.gz FPMZGSJPWNTEKN-UHFFFAOYSA-N 0 1 266.753 3.914 20 0 CHADMN CC(C)(C)c1coc(CN2CC[C@@H](C3CCC3)C2)n1 ZINC000894950092 1123092240 /nfs/dbraw/zinc/09/22/40/1123092240.db2.gz WHMFYERVEFLQNH-CYBMUJFWSA-N 0 1 262.397 3.594 20 0 CHADMN CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000112670919 1123093928 /nfs/dbraw/zinc/09/39/28/1123093928.db2.gz XEGLRBSMPRVMKY-GXTWGEPZSA-N 0 1 285.391 3.508 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cncnc2C)ccc1Cl ZINC000520428511 1123099736 /nfs/dbraw/zinc/09/97/36/1123099736.db2.gz WTZXEOWNJLVKLQ-NSHDSACASA-N 0 1 275.783 3.598 20 0 CHADMN FC(F)(F)c1n[nH]c2c1CCN(C[C@H]1CC=CCC1)C2 ZINC001201426336 1123100341 /nfs/dbraw/zinc/10/03/41/1123100341.db2.gz DEMGJKGMBCYFHP-GWCFXTLKSA-N 0 1 285.313 3.699 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccco2)no1 ZINC000123624808 1123101945 /nfs/dbraw/zinc/10/19/45/1123101945.db2.gz NFXRXHUYNQABPT-CYBMUJFWSA-N 0 1 289.379 3.730 20 0 CHADMN CC(C)C[C@H]1CCCCN1Cc1nc(-c2ccco2)no1 ZINC000123624808 1123101946 /nfs/dbraw/zinc/10/19/46/1123101946.db2.gz NFXRXHUYNQABPT-CYBMUJFWSA-N 0 1 289.379 3.730 20 0 CHADMN N=C(N)N(c1ccc(F)cc1)c1cc(Cl)ncc1Cl ZINC001167994875 1123102702 /nfs/dbraw/zinc/10/27/02/1123102702.db2.gz QVWYNTKWECZZOV-UHFFFAOYSA-N 0 1 299.136 3.559 20 0 CHADMN CC(C)(C)C[N@H+]1CCc2ccc(Br)cc2C1 ZINC001201440243 1123104772 /nfs/dbraw/zinc/10/47/72/1123104772.db2.gz CWUXCANDODILIT-UHFFFAOYSA-N 0 1 282.225 3.853 20 0 CHADMN CC(C)(C)CN1CCc2ccc(Br)cc2C1 ZINC001201440243 1123104774 /nfs/dbraw/zinc/10/47/74/1123104774.db2.gz CWUXCANDODILIT-UHFFFAOYSA-N 0 1 282.225 3.853 20 0 CHADMN C[C@@H]1CCCN1C/C(Br)=C/c1ccccc1 ZINC001201447128 1123106291 /nfs/dbraw/zinc/10/62/91/1123106291.db2.gz NBKVBRSMLSQDIT-XTCQQWIJSA-N 0 1 280.209 3.907 20 0 CHADMN CC(C)=CCC[C@@H](C)CN1CCO[C@@H](c2ccncc2)C1 ZINC001201496741 1123110054 /nfs/dbraw/zinc/11/00/54/1123110054.db2.gz QDPCMYJZNGHDOG-SJLPKXTDSA-N 0 1 288.435 3.837 20 0 CHADMN CC(C)=CCC[C@@H](C)CN(C)Cc1nccs1 ZINC001201495460 1123110062 /nfs/dbraw/zinc/11/00/62/1123110062.db2.gz CQWWJAYJRWYNHW-CYBMUJFWSA-N 0 1 252.427 3.957 20 0 CHADMN CC(C)CN1Cc2cc(Br)ccc2C[C@H]1C ZINC001201482975 1123115961 /nfs/dbraw/zinc/11/59/61/1123115961.db2.gz TWPKBLCKXROBHJ-LLVKDONJSA-N 0 1 282.225 3.852 20 0 CHADMN CCC[C@H](C)CN1CCc2sc(C(=O)OCC)cc2C1 ZINC001201551654 1123119177 /nfs/dbraw/zinc/11/91/77/1123119177.db2.gz CMESRWAAYWVLBQ-LBPRGKRZSA-N 0 1 295.448 3.719 20 0 CHADMN CC[C@@H]1CCN(Cc2cc(F)cc(Br)c2)C1 ZINC000161650755 1123122575 /nfs/dbraw/zinc/12/25/75/1123122575.db2.gz WBSSSJZXRMXPIE-SNVBAGLBSA-N 0 1 286.188 3.820 20 0 CHADMN CCCC[C@@H](CC)CN1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001201562575 1123123915 /nfs/dbraw/zinc/12/39/15/1123123915.db2.gz GGUODNPYVIVFKI-AGIUHOORSA-N 0 1 299.352 3.540 20 0 CHADMN O=C(CN1CCC[C@H]2CCC[C@H]21)Nc1cccc(Cl)c1 ZINC000441446220 1123128404 /nfs/dbraw/zinc/12/84/04/1123128404.db2.gz KGGPGVMJDMIVPE-IUODEOHRSA-N 0 1 292.810 3.543 20 0 CHADMN Cc1ccc([C@H](C)NCc2cnc3ccccc3n2)s1 ZINC000049160724 1123133673 /nfs/dbraw/zinc/13/36/73/1123133673.db2.gz CGRIOSSYNOEEDN-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN CCCN1[C@H](C(=O)OCC)CCC[C@H]1c1ccccc1 ZINC001201648358 1123135847 /nfs/dbraw/zinc/13/58/47/1123135847.db2.gz VDEIDYBMFIQGTL-HOTGVXAUSA-N 0 1 275.392 3.555 20 0 CHADMN CCC[C@H](C(=O)c1ccccc1)N(C)CCCSC ZINC001201697429 1123137698 /nfs/dbraw/zinc/13/76/98/1123137698.db2.gz AMLNRABXRRUHED-OAHLLOKOSA-N 0 1 279.449 3.723 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1noc(-c2ccccc2)n1 ZINC000441478442 1123143841 /nfs/dbraw/zinc/14/38/41/1123143841.db2.gz STAPFQNWSFWGEU-FVQBIDKESA-N 0 1 297.402 3.890 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1nnc(-c2ccccc2)s1 ZINC000155339751 1129101964 /nfs/dbraw/zinc/10/19/64/1129101964.db2.gz KZQSXYNCQDJTBE-VXGBXAGGSA-N 0 1 273.405 3.578 20 0 CHADMN C[C@@H](NCc1ccn(C)c1)c1cc(Cl)ccc1F ZINC001201770180 1123148378 /nfs/dbraw/zinc/14/83/78/1123148378.db2.gz PBJWUYBCWRZUNX-SNVBAGLBSA-N 0 1 266.747 3.668 20 0 CHADMN CCCC[C@H](O)CN1CCC[C@H]1c1cc(F)ccc1F ZINC001252089844 1123151373 /nfs/dbraw/zinc/15/13/73/1123151373.db2.gz SPTQXXQLKUQQHF-BBRMVZONSA-N 0 1 283.362 3.653 20 0 CHADMN Cc1cc(F)cc(CN2CCc3ccsc3C2)c1 ZINC001143585749 1123154798 /nfs/dbraw/zinc/15/47/98/1123154798.db2.gz FBWJSRJHZKLIDW-UHFFFAOYSA-N 0 1 261.365 3.754 20 0 CHADMN CC(C)c1nc([C@@H](C)NCc2cc3ccccc3o2)n[nH]1 ZINC001201850521 1123156080 /nfs/dbraw/zinc/15/60/80/1123156080.db2.gz GWDKNIHMYIZOFZ-LLVKDONJSA-N 0 1 284.363 3.525 20 0 CHADMN CCC1(CC)CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000190413912 1123156712 /nfs/dbraw/zinc/15/67/12/1123156712.db2.gz RURKRTYWFNHPPM-ZDUSSCGKSA-N 0 1 295.427 3.569 20 0 CHADMN O=C(Nc1ccccc1F)Nc1cccc(Cl)c1O ZINC001202001473 1123168706 /nfs/dbraw/zinc/16/87/06/1123168706.db2.gz PPISGIOIMMDQPX-UHFFFAOYSA-N 0 1 280.686 3.829 20 0 CHADMN Cc1cc(CN2CCSC[C@@H]2C)ccc1Cl ZINC000507775966 1123171194 /nfs/dbraw/zinc/17/11/94/1123171194.db2.gz MYFNILSKZKULKV-NSHDSACASA-N 0 1 255.814 3.586 20 0 CHADMN CC(C)O[C@@H]1CCN(Cc2ccc(C(F)F)c(F)c2)C1 ZINC000895083546 1123177050 /nfs/dbraw/zinc/17/70/50/1123177050.db2.gz VHALWYSQDPJQJE-GFCCVEGCSA-N 0 1 287.325 3.763 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000520594185 1123182322 /nfs/dbraw/zinc/18/23/22/1123182322.db2.gz GIVZBFQPFQQGEQ-HNNXBMFYSA-N 0 1 299.370 3.575 20 0 CHADMN CCC1CC(N[C@H](c2ccccn2)c2ccccc2OC)C1 ZINC000520596125 1123183217 /nfs/dbraw/zinc/18/32/17/1123183217.db2.gz SLQBWYUOBHDZGB-ZOJXTTQQSA-N 0 1 296.414 3.958 20 0 CHADMN CC(C)CC[C@@H]1CCCN1C(=O)c1[nH]nc2ccccc21 ZINC000155613573 1129104395 /nfs/dbraw/zinc/10/43/95/1129104395.db2.gz LDQMKVUTFHPFFR-ZDUSSCGKSA-N 0 1 285.391 3.604 20 0 CHADMN CCC(C)(C)[C@H]1CCCN1Cc1nc(CC(C)C)no1 ZINC000441644901 1123192530 /nfs/dbraw/zinc/19/25/30/1123192530.db2.gz NJIKFYIZTYTQFY-CYBMUJFWSA-N 0 1 279.428 3.669 20 0 CHADMN FC(F)(F)c1ccc([C@@H]2CN(CC3CCC3)CCO2)cc1 ZINC000520640534 1123194997 /nfs/dbraw/zinc/19/49/97/1123194997.db2.gz BXLULXUVPUOSQB-HNNXBMFYSA-N 0 1 299.336 3.879 20 0 CHADMN Cc1ccc(O[C@@H]2CCCN(CCC(F)(F)F)C2)cc1 ZINC001202346958 1123197362 /nfs/dbraw/zinc/19/73/62/1123197362.db2.gz FIMYMZCXIWKLQU-CQSZACIVSA-N 0 1 287.325 3.791 20 0 CHADMN COc1ccc2ccccc2c1CN1CCC(=O)[C@H](C)CC1 ZINC001203987341 1123200498 /nfs/dbraw/zinc/20/04/98/1123200498.db2.gz USUWHHBWWPJNDV-CQSZACIVSA-N 0 1 297.398 3.649 20 0 CHADMN CCn1cc(CNC2(c3cccc(F)c3)CCC2)c(C)n1 ZINC000895100873 1123201913 /nfs/dbraw/zinc/20/19/13/1123201913.db2.gz XTHHOMLWMGOZML-UHFFFAOYSA-N 0 1 287.382 3.520 20 0 CHADMN O=C(Nc1ccc(Cl)cc1)Nc1c(O)cc(F)cc1F ZINC001202374221 1123203466 /nfs/dbraw/zinc/20/34/66/1123203466.db2.gz CTHFXVKOSHYEPL-UHFFFAOYSA-N 0 1 298.676 3.968 20 0 CHADMN C[C@H](NCc1cc(Cl)sc1Cl)[C@H]1CCCO1 ZINC000336782337 1123211371 /nfs/dbraw/zinc/21/13/71/1123211371.db2.gz XIIOXFYXSRYTCE-IONNQARKSA-N 0 1 280.220 3.712 20 0 CHADMN CCn1cncc1C[N@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000417742222 1123210665 /nfs/dbraw/zinc/21/06/65/1123210665.db2.gz VWZRCARYRNALDR-SFHVURJKSA-N 0 1 283.419 3.857 20 0 CHADMN Clc1cc(CNc2cccc3[nH]nnc32)c(Cl)s1 ZINC001202467121 1123211658 /nfs/dbraw/zinc/21/16/58/1123211658.db2.gz UNOKYWGYIBGOFP-UHFFFAOYSA-N 0 1 299.186 3.938 20 0 CHADMN CC(C)(C)[C@@H]1CCCC[C@H]1NCc1nc(C2CC2)no1 ZINC000097324275 1123212232 /nfs/dbraw/zinc/21/22/32/1123212232.db2.gz LQIYSYWNYGPKER-CHWSQXEVSA-N 0 1 277.412 3.642 20 0 CHADMN CCOc1ccccc1CNCc1nccc2ccccc21 ZINC000067450987 1123216839 /nfs/dbraw/zinc/21/68/39/1123216839.db2.gz BQFQOFTZLIPSOK-UHFFFAOYSA-N 0 1 292.382 3.923 20 0 CHADMN Fc1cccc(CNCc2nccc3ccccc32)c1 ZINC000067450990 1123217338 /nfs/dbraw/zinc/21/73/38/1123217338.db2.gz XYAPYNAMRKGZFO-UHFFFAOYSA-N 0 1 266.319 3.664 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@@H](C)c2cnccn2)c1 ZINC000155890779 1129106803 /nfs/dbraw/zinc/10/68/03/1129106803.db2.gz OZBMHMDJXIMJLD-KBPBESRZSA-N 0 1 255.365 3.505 20 0 CHADMN Cc1ccc2nc(SC[C@H]3CCC[C@H](O)C3)[nH]c2c1 ZINC000388839634 1123220662 /nfs/dbraw/zinc/22/06/62/1123220662.db2.gz XXDDHSIXTLVIEF-RYUDHWBXSA-N 0 1 276.405 3.515 20 0 CHADMN COc1cccc(-c2ccc(F)c(CN(C)C)c2)c1OC ZINC000665200536 1123226848 /nfs/dbraw/zinc/22/68/48/1123226848.db2.gz XWOGNTKTDTWLEV-UHFFFAOYSA-N 0 1 289.350 3.572 20 0 CHADMN Cc1nnc([C@H](C)N[C@H](C)[C@@H](C)C2CCCCC2)o1 ZINC000185505874 1123229132 /nfs/dbraw/zinc/22/91/32/1123229132.db2.gz QZLZHRQAYWJLKV-UTUOFQBUSA-N 0 1 265.401 3.634 20 0 CHADMN CCc1noc([C@H](C)N[C@@H](C)[C@@H](C)C2CCCCC2)n1 ZINC000185501709 1123229432 /nfs/dbraw/zinc/22/94/32/1123229432.db2.gz LYDHEMGWJFKHBZ-AGIUHOORSA-N 0 1 279.428 3.888 20 0 CHADMN CC(C)CC[C@@H]1CC[C@H](NCc2nn(C)cc2Cl)C1 ZINC001202475484 1123230055 /nfs/dbraw/zinc/23/00/55/1123230055.db2.gz WQHPIBPBHFTFDD-OLZOCXBDSA-N 0 1 283.847 3.768 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1ccns1 ZINC000639157135 1123235879 /nfs/dbraw/zinc/23/58/79/1123235879.db2.gz RJVLITAMDBCWAZ-SNVBAGLBSA-N 0 1 264.419 3.716 20 0 CHADMN CC[C@@H](C)N(Cc1cc(C)n(C)n1)Cc1ccccc1 ZINC000487402913 1123240149 /nfs/dbraw/zinc/24/01/49/1123240149.db2.gz RKHCIPKDCGMXCV-CQSZACIVSA-N 0 1 271.408 3.529 20 0 CHADMN CC[C@H](C)N(Cc1cc(C)n(C)n1)Cc1ccccc1 ZINC000487402911 1123240455 /nfs/dbraw/zinc/24/04/55/1123240455.db2.gz RKHCIPKDCGMXCV-AWEZNQCLSA-N 0 1 271.408 3.529 20 0 CHADMN C[C@H](N[C@@H]1CC(C)(C)c2ccccc21)c1ccncn1 ZINC000334525160 1123242611 /nfs/dbraw/zinc/24/26/11/1123242611.db2.gz FZRXPVLCYKNQIT-BLLLJJGKSA-N 0 1 267.376 3.550 20 0 CHADMN COc1ccc2cc([C@H](C)Sc3c[nH]nn3)ccc2c1 ZINC000156006899 1129108430 /nfs/dbraw/zinc/10/84/30/1129108430.db2.gz BVVWKMNWQFQKBV-JTQLQIEISA-N 0 1 285.372 3.820 20 0 CHADMN Cc1cnc([C@@H](C)N[C@@H](C)c2ccc3ncsc3c2)cn1 ZINC000427831447 1123253127 /nfs/dbraw/zinc/25/31/27/1123253127.db2.gz QLLVXQNBFULICU-NWDGAFQWSA-N 0 1 298.415 3.807 20 0 CHADMN Cc1ccc(CN[C@H]2C[C@@H](O)c3ccccc32)c(Cl)c1 ZINC000850372932 1123259108 /nfs/dbraw/zinc/25/91/08/1123259108.db2.gz BHRHUAQUZXQLSO-DLBZAZTESA-N 0 1 287.790 3.916 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1ccccc1F ZINC000850373707 1123259130 /nfs/dbraw/zinc/25/91/30/1123259130.db2.gz IXQJVQMWZZXIHI-YMRXKLBXSA-N 0 1 271.335 3.655 20 0 CHADMN CCc1cccc(F)c1CN[C@@H]1C[C@@H](O)c2ccccc21 ZINC000850374589 1123260076 /nfs/dbraw/zinc/26/00/76/1123260076.db2.gz MWMANLUSPIMXMK-QZTJIDSGSA-N 0 1 285.362 3.656 20 0 CHADMN O[C@H]1C[C@@H](NCc2cc(F)cc(Cl)c2)c2ccccc21 ZINC000850376629 1123260621 /nfs/dbraw/zinc/26/06/21/1123260621.db2.gz ZIOTWOGRYCHAKU-CVEARBPZSA-N 0 1 291.753 3.747 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2)[C@@H](O)C(C)C)c(C)o1 ZINC000850394713 1123262071 /nfs/dbraw/zinc/26/20/71/1123262071.db2.gz AICDFKGFTUBFDG-MSOLQXFVSA-N 0 1 287.403 3.744 20 0 CHADMN Cc1cc([C@@H](C)NC[C@@H](O)c2cccc3ccccc32)no1 ZINC000850517083 1123279199 /nfs/dbraw/zinc/27/91/99/1123279199.db2.gz QBOACMKZMOZIDK-FZKQIMNGSA-N 0 1 296.370 3.520 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CCN(C)c2ccccc2C1 ZINC000428201015 1123279689 /nfs/dbraw/zinc/27/96/89/1123279689.db2.gz ASIOSRGCUKZRQN-UHFFFAOYSA-N 0 1 299.418 3.558 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1cc2cnccc2o1 ZINC000850525565 1123280850 /nfs/dbraw/zinc/28/08/50/1123280850.db2.gz KLVQGAIJMHKJJX-IUIKQTSFSA-N 0 1 294.354 3.657 20 0 CHADMN Oc1cccc2c1CCC[C@@H]2N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000850525339 1123281022 /nfs/dbraw/zinc/28/10/22/1123281022.db2.gz IMLWOUDSNOCIBE-YQVWRLOYSA-N 0 1 295.382 3.538 20 0 CHADMN CC[C@@H]1CN(C[C@@H](OC(C)C)c2ccccc2)C[C@@H](C)O1 ZINC000428224109 1123281090 /nfs/dbraw/zinc/28/10/90/1123281090.db2.gz LSZTWYXQNHMOMC-KBAYOESNSA-N 0 1 291.435 3.652 20 0 CHADMN CCc1nc(C)c(CN(CC)[C@H](C)c2cccc(O)c2)o1 ZINC000428210026 1123281857 /nfs/dbraw/zinc/28/18/57/1123281857.db2.gz UMSPDPLKXLLYIB-CYBMUJFWSA-N 0 1 288.391 3.834 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2C[C@@H](O)c3ccccc32)cs1 ZINC000850526058 1123282106 /nfs/dbraw/zinc/28/21/06/1123282106.db2.gz OOGQNUQSASSJQT-KNXALSJPSA-N 0 1 273.401 3.886 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H](c3ccccc3)[C@H](C)C2)n[nH]1 ZINC000428222863 1123283075 /nfs/dbraw/zinc/28/30/75/1123283075.db2.gz ABCMAOCPTJQTPC-GDBMZVCRSA-N 0 1 298.434 3.554 20 0 CHADMN Cc1ccc(CN(Cc2cccc(F)c2)C2CC2)nc1 ZINC000156237482 1129110953 /nfs/dbraw/zinc/11/09/53/1129110953.db2.gz OXLMLNZUXUKMKY-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN CC(C)C[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1ccccn1 ZINC000850529412 1123284098 /nfs/dbraw/zinc/28/40/98/1123284098.db2.gz QZORBPBGTCANNN-FHWLQOOXSA-N 0 1 296.414 3.937 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@H]2C[C@@H](O)c3ccccc32)s1 ZINC000850529021 1123284243 /nfs/dbraw/zinc/28/42/43/1123284243.db2.gz MUTTVLAOFFTFMW-NZVBXONLSA-N 0 1 288.416 3.589 20 0 CHADMN CCc1nc(C)c(CN(CCC(F)(F)F)CC2CC2)o1 ZINC000428233922 1123284845 /nfs/dbraw/zinc/28/48/45/1123284845.db2.gz VSBMZGSJKUEPIU-UHFFFAOYSA-N 0 1 290.329 3.710 20 0 CHADMN O[C@@H]1C[C@@H](N[C@H]2CCc3ccc(F)cc32)c2ccccc21 ZINC000850530474 1123285043 /nfs/dbraw/zinc/28/50/43/1123285043.db2.gz ZBWJMCZCAQLTML-RCCFBDPRSA-N 0 1 283.346 3.581 20 0 CHADMN COCc1csc(CN[C@H](C)c2cccnc2Cl)c1 ZINC000850533256 1123285806 /nfs/dbraw/zinc/28/58/06/1123285806.db2.gz UBZKRHWKJROJDW-SNVBAGLBSA-N 0 1 296.823 3.794 20 0 CHADMN CC(C)Cc1ccc([C@@H](C)[C@@H](C)NCc2ncccn2)cc1 ZINC000850550598 1123289066 /nfs/dbraw/zinc/28/90/66/1123289066.db2.gz AEIVPTFXORUECM-JKSUJKDBSA-N 0 1 297.446 3.957 20 0 CHADMN C[C@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(Cl)nc1 ZINC000850544032 1123289234 /nfs/dbraw/zinc/28/92/34/1123289234.db2.gz SRLOYABKBUXOCG-BONVTDFDSA-N 0 1 288.778 3.779 20 0 CHADMN COc1cc(N[C@H](C)c2cn[nH]c2C)ccc1OC(F)F ZINC000850562699 1123292817 /nfs/dbraw/zinc/29/28/17/1123292817.db2.gz WUHQUZJZTCUKDL-MRVPVSSYSA-N 0 1 297.305 3.501 20 0 CHADMN COc1cccc(CN[C@H](C)c2cccnc2Cl)c1C ZINC000850579107 1123296564 /nfs/dbraw/zinc/29/65/64/1123296564.db2.gz RWJHCHZCXQBZEW-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@H](N[C@H]1CCc2cc(N)ccc21)c1ccc(Cl)cn1 ZINC000665271113 1123297305 /nfs/dbraw/zinc/29/73/05/1123297305.db2.gz HDTPVRHNECVBSY-QFYYESIMSA-N 0 1 287.794 3.655 20 0 CHADMN CCCN[C@@H](C)c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000109514783 1123298645 /nfs/dbraw/zinc/29/86/45/1123298645.db2.gz GGPFYOSEYLHUBE-VIFPVBQESA-N 0 1 297.761 3.514 20 0 CHADMN CO[C@@H]1C[C@@H](NCc2c(F)cccc2Cl)C12CCC2 ZINC000713470941 1123314450 /nfs/dbraw/zinc/31/44/50/1123314450.db2.gz MBBOAQJZCPPPOJ-ZIAGYGMSSA-N 0 1 283.774 3.526 20 0 CHADMN Cc1ncccc1CN1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000335165248 1123315350 /nfs/dbraw/zinc/31/53/50/1123315350.db2.gz SPTKZJFHVKUYFX-YPMHNXCESA-N 0 1 272.314 3.553 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@H](C3CCC3)C2)n1 ZINC000665286104 1123319415 /nfs/dbraw/zinc/31/94/15/1123319415.db2.gz FGEDTKJDQXZGHT-JSGCOSHPSA-N 0 1 277.412 3.595 20 0 CHADMN C[C@@H](NC[C@H]1CCC2(CCCCC2)O1)c1nccs1 ZINC000191020636 1123320376 /nfs/dbraw/zinc/32/03/76/1123320376.db2.gz IRKPOZBUSCXOLO-CHWSQXEVSA-N 0 1 280.437 3.676 20 0 CHADMN C[C@H](NC[C@H]1CCC2(CCCCC2)O1)c1nccs1 ZINC000191020619 1123320500 /nfs/dbraw/zinc/32/05/00/1123320500.db2.gz IRKPOZBUSCXOLO-QWHCGFSZSA-N 0 1 280.437 3.676 20 0 CHADMN O=C(OCc1cc(C2CC2)[nH]n1)C1CC2(C1)CCCCC2 ZINC000851118750 1123325672 /nfs/dbraw/zinc/32/56/72/1123325672.db2.gz GJRVQEZUVJAWRF-UHFFFAOYSA-N 0 1 288.391 3.691 20 0 CHADMN CCCc1nc(C)c(CN2Cc3ccccc3C[C@@H]2C)o1 ZINC000428254985 1123328685 /nfs/dbraw/zinc/32/86/85/1123328685.db2.gz WPUCEHSKECFCLT-ZDUSSCGKSA-N 0 1 284.403 3.882 20 0 CHADMN CCc1ccc(CN(C)Cc2cncc(C)c2)cc1 ZINC000442675635 1123333133 /nfs/dbraw/zinc/33/31/33/1123333133.db2.gz ZPTZSCCMRCFLGP-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN c1ccc(-c2nnc(CN3CC[C@H](C4CCC4)C3)s2)cc1 ZINC000665290384 1123333607 /nfs/dbraw/zinc/33/36/07/1123333607.db2.gz WKMHHTZZKLBYAX-HNNXBMFYSA-N 0 1 299.443 3.827 20 0 CHADMN CN(Cc1ccc(Cl)c(F)c1)[C@@H](CO)c1ccccc1 ZINC000442690568 1123334473 /nfs/dbraw/zinc/33/44/73/1123334473.db2.gz WHJMKFRPJPQDHR-INIZCTEOSA-N 0 1 293.769 3.645 20 0 CHADMN Cc1csc([C@H](C)NC[C@@H](C)Oc2ccccc2F)n1 ZINC000623899655 1123335132 /nfs/dbraw/zinc/33/51/32/1123335132.db2.gz OUKVAPNIIYLGRF-NEPJUHHUSA-N 0 1 294.395 3.709 20 0 CHADMN CC(C)CC[C@H]1CCCN1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442881327 1123346431 /nfs/dbraw/zinc/34/64/31/1123346431.db2.gz MJRGBORBBROBRZ-GFCCVEGCSA-N 0 1 289.345 3.829 20 0 CHADMN CC1(C)CN(CCCCC(F)(F)F)CC(C)(C)O1 ZINC000442882797 1123346766 /nfs/dbraw/zinc/34/67/66/1123346766.db2.gz SOWRPNWGGNCMKA-UHFFFAOYSA-N 0 1 267.335 3.608 20 0 CHADMN CC[C@@]1(C)CN(Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000442887791 1123348080 /nfs/dbraw/zinc/34/80/80/1123348080.db2.gz YXZMSLNXWXNTAL-AWEZNQCLSA-N 0 1 287.325 3.706 20 0 CHADMN CCOc1cccc(CN2CC(C)(C)O[C@@H]3CCC[C@H]32)c1 ZINC000442972440 1123350945 /nfs/dbraw/zinc/35/09/45/1123350945.db2.gz ZUUBDLPFTVSOEP-IAGOWNOFSA-N 0 1 289.419 3.617 20 0 CHADMN Cc1cc(CN2CC(C)(C)O[C@@H]3CCC[C@H]32)ccc1F ZINC000442967724 1123351257 /nfs/dbraw/zinc/35/12/57/1123351257.db2.gz PWFUURULQDGJRL-HZPDHXFCSA-N 0 1 277.383 3.666 20 0 CHADMN C[C@H](N[C@H]1CCCc2ccccc21)c1ccncc1F ZINC000335316197 1123354921 /nfs/dbraw/zinc/35/49/21/1123354921.db2.gz SOUGRYHSGLLYJV-SJCJKPOMSA-N 0 1 270.351 3.949 20 0 CHADMN CC1=C[C@H](C)C[C@H](CN2CCO[C@H](c3ccco3)C2)C1 ZINC000428271797 1123362279 /nfs/dbraw/zinc/36/22/79/1123362279.db2.gz HNHNPRDFGDLQFH-QRTARXTBSA-N 0 1 275.392 3.645 20 0 CHADMN CCc1ccc(CN(C)Cc2cc(C)cc(C)c2)cn1 ZINC000348413931 1123364149 /nfs/dbraw/zinc/36/41/49/1123364149.db2.gz UJENREPWOBWASQ-UHFFFAOYSA-N 0 1 268.404 3.893 20 0 CHADMN Cc1cc(F)cc(-c2noc(CN3[C@H](C)CC[C@@H]3C)n2)c1 ZINC000443228626 1123365084 /nfs/dbraw/zinc/36/50/84/1123365084.db2.gz VSPBBEUZTGZEOT-TXEJJXNPSA-N 0 1 289.354 3.557 20 0 CHADMN CC(C)(C)c1[nH]ncc1C(=O)Nc1ccc2ncccc2c1 ZINC000338940378 1123370579 /nfs/dbraw/zinc/37/05/79/1123370579.db2.gz OATQLAZMOWYYIW-UHFFFAOYSA-N 0 1 294.358 3.508 20 0 CHADMN Cc1cc(C(F)F)oc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000634555644 1129117638 /nfs/dbraw/zinc/11/76/38/1129117638.db2.gz PSPJFICDWWMWSE-QMMMGPOBSA-N 0 1 285.294 3.622 20 0 CHADMN CC1=C(C)C[C@H](C(=O)Nc2ccccc2-c2nnc[nH]2)CC1 ZINC000335488585 1123373129 /nfs/dbraw/zinc/37/31/29/1123373129.db2.gz VZARLZUKOUGYNV-CYBMUJFWSA-N 0 1 296.374 3.547 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H]1CCC(C)=C(C)C1 ZINC000335492642 1123373885 /nfs/dbraw/zinc/37/38/85/1123373885.db2.gz DFKRFDSVMIJXNS-JTQLQIEISA-N 0 1 283.322 3.731 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCC[C@@H]1c1cc(C)on1 ZINC000851716777 1123374063 /nfs/dbraw/zinc/37/40/63/1123374063.db2.gz QVUSAFXFSBDAOU-WCQYABFASA-N 0 1 272.339 3.801 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)CCOC(F)F ZINC000851730746 1123375722 /nfs/dbraw/zinc/37/57/22/1123375722.db2.gz RMXQIYKNUKMOFN-SECBINFHSA-N 0 1 263.715 3.572 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1Cc1cccc(F)n1 ZINC000851731374 1123375994 /nfs/dbraw/zinc/37/59/94/1123375994.db2.gz OAZWVDDTMGHVKS-INIZCTEOSA-N 0 1 270.351 3.866 20 0 CHADMN CCN(Cc1ccc(Cl)cc1)Cc1cccc(F)n1 ZINC000851738464 1123376617 /nfs/dbraw/zinc/37/66/17/1123376617.db2.gz HRDLIMHXQLGMOT-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN CCCO[C@@H]1CCCN(CC=C(Cl)Cl)CC1 ZINC000851764271 1123379556 /nfs/dbraw/zinc/37/95/56/1123379556.db2.gz ILOWZJVTAUUBSM-LLVKDONJSA-N 0 1 266.212 3.587 20 0 CHADMN Fc1ccc(C2(NCc3cccc(F)n3)CCC2)cc1 ZINC000851835897 1123385060 /nfs/dbraw/zinc/38/50/60/1123385060.db2.gz CIDGTUJGLVZTBX-UHFFFAOYSA-N 0 1 274.314 3.529 20 0 CHADMN Fc1ccc([C@H](NCc2cc(C3CC3)no2)C2CC2)cc1 ZINC000851907075 1123388845 /nfs/dbraw/zinc/38/88/45/1123388845.db2.gz PYHPLLGRHDLZTD-QGZVFWFLSA-N 0 1 286.350 3.932 20 0 CHADMN COc1cc(CN[C@H](C)c2csc(Cl)c2)ccn1 ZINC000191156677 1123389563 /nfs/dbraw/zinc/38/95/63/1123389563.db2.gz VFVZYPLNLVSGAH-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN CCC(C)(C)[C@@H]1CCCN1Cc1nnc(C(C)C)o1 ZINC000156836590 1129118680 /nfs/dbraw/zinc/11/86/80/1129118680.db2.gz JPRPMZTXKPKBOE-LBPRGKRZSA-N 0 1 265.401 3.594 20 0 CHADMN C[C@@]1(c2ccc(F)cc2)CCN(Cc2cccc(F)n2)C1 ZINC000852006778 1123392906 /nfs/dbraw/zinc/39/29/06/1123392906.db2.gz TULRGMDRRZANBR-QGZVFWFLSA-N 0 1 288.341 3.523 20 0 CHADMN Cc1nc(CN2CC[C@@](C)(c3ccc(F)cc3)C2)oc1C ZINC000335691970 1123396406 /nfs/dbraw/zinc/39/64/06/1123396406.db2.gz KMFNBIMLZYGCCO-QGZVFWFLSA-N 0 1 288.366 3.594 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2C)CCO1 ZINC000443415780 1123396426 /nfs/dbraw/zinc/39/64/26/1123396426.db2.gz RKEXEBVHDOSMJS-CQSZACIVSA-N 0 1 287.325 3.625 20 0 CHADMN FC(F)c1ccc(CN2CCC(OC3CCC3)CC2)cn1 ZINC000639275630 1123399513 /nfs/dbraw/zinc/39/95/13/1123399513.db2.gz VATNHIHZPZCZLF-UHFFFAOYSA-N 0 1 296.361 3.553 20 0 CHADMN O=C(CN1C[C@@H]2CCCC[C@@H]21)Nc1ccc2ccccc2c1 ZINC000852220592 1123400335 /nfs/dbraw/zinc/40/03/35/1123400335.db2.gz UKOCMKAERQKPDS-WMZOPIPTSA-N 0 1 294.398 3.653 20 0 CHADMN FC1(F)C[C@]12CCCN(Cc1nsc3ccccc31)C2 ZINC000852213737 1123400456 /nfs/dbraw/zinc/40/04/56/1123400456.db2.gz ONGPQGSJFFIZBZ-AWEZNQCLSA-N 0 1 294.370 3.918 20 0 CHADMN CCN(Cc1cccnc1)Cc1cc(C)cc(F)c1 ZINC001143590133 1123404448 /nfs/dbraw/zinc/40/44/48/1123404448.db2.gz PFOBENHDPGMPDT-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@H]2C[C@H]2C1 ZINC000852636485 1123410871 /nfs/dbraw/zinc/41/08/71/1123410871.db2.gz VICBQMDZHHIMLV-COXVUDFISA-N 0 1 294.398 3.509 20 0 CHADMN C[C@H]1COC2(CCCC2)CN1CC[C@H]1CC1(Cl)Cl ZINC000852635228 1123410879 /nfs/dbraw/zinc/41/08/79/1123410879.db2.gz DQXYYEMVYMPXJX-RYUDHWBXSA-N 0 1 292.250 3.604 20 0 CHADMN C[C@@H]1COC2(CCCC2)CN1CC[C@@H]1CC1(Cl)Cl ZINC000852635230 1123410979 /nfs/dbraw/zinc/41/09/79/1123410979.db2.gz DQXYYEMVYMPXJX-VXGBXAGGSA-N 0 1 292.250 3.604 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@H](C3CCC3)C2)o1 ZINC000852673941 1123411844 /nfs/dbraw/zinc/41/18/44/1123411844.db2.gz PNDDCVWBRONJBH-AWEZNQCLSA-N 0 1 262.397 3.810 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccnn1CC1CCC1)CC2 ZINC000631067862 1123421227 /nfs/dbraw/zinc/42/12/27/1123421227.db2.gz UIYZNCICPXWGMP-GOSISDBHSA-N 0 1 299.393 3.599 20 0 CHADMN CC(C)[C@H]1CCc2[nH]n(-c3ccncc3Cl)c(=O)c2C1 ZINC000634608933 1129121092 /nfs/dbraw/zinc/12/10/92/1129121092.db2.gz QPHRDBQUYBJGAL-WDEREUQCSA-N 0 1 291.782 3.510 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccnn1CC1CCC1)c1ccncc1 ZINC000925125221 1123433634 /nfs/dbraw/zinc/43/36/34/1123433634.db2.gz BUKYBTXERSBSMR-RHSMWYFYSA-N 0 1 298.434 3.880 20 0 CHADMN CCc1cccc(Cl)c1C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000665351006 1123433903 /nfs/dbraw/zinc/43/39/03/1123433903.db2.gz MTOCKEXXASWKOU-UHFFFAOYSA-N 0 1 297.826 3.835 20 0 CHADMN CCCCc1[nH]n(-c2cccc3cnccc32)c(=O)c1C ZINC000634622429 1129121521 /nfs/dbraw/zinc/12/15/21/1129121521.db2.gz DXRZZQGIYMULSV-GFCCVEGCSA-N 0 1 281.359 3.764 20 0 CHADMN CC[C@@H]1CCCN1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000443613983 1123445148 /nfs/dbraw/zinc/44/51/48/1123445148.db2.gz JVSBKLKLPPBVOE-CYBMUJFWSA-N 0 1 291.345 3.525 20 0 CHADMN Cc1cccc2c1[C@@H](C)C[C@H]2NCc1ccc(F)cn1 ZINC000335849664 1123446966 /nfs/dbraw/zinc/44/69/66/1123446966.db2.gz GAEBLZXEFRIICT-BLLLJJGKSA-N 0 1 270.351 3.867 20 0 CHADMN c1cc(OCCC2SCCS2)c2c(n1)CCCC2 ZINC000853731429 1123449630 /nfs/dbraw/zinc/44/96/30/1123449630.db2.gz YPMSAMOLZNRYRE-UHFFFAOYSA-N 0 1 281.446 3.535 20 0 CHADMN Oc1ccc(CN2CCC(c3ccco3)CC2)cc1F ZINC000895321462 1123455457 /nfs/dbraw/zinc/45/54/57/1123455457.db2.gz QKBQLNPOFINZMG-UHFFFAOYSA-N 0 1 275.323 3.504 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCO[C@@H](C)[C@H]1C ZINC000443641435 1123457054 /nfs/dbraw/zinc/45/70/54/1123457054.db2.gz POLJYGMOTQUKRA-NEPJUHHUSA-N 0 1 287.325 3.623 20 0 CHADMN CC(C)C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000335885826 1123459446 /nfs/dbraw/zinc/45/94/46/1123459446.db2.gz OOEZOYCMXRARTK-CYBMUJFWSA-N 0 1 291.782 3.536 20 0 CHADMN C[C@@H]1CCC[C@H](CC(=O)Nc2cccc(-c3cn[nH]n3)c2)C1 ZINC000443666302 1123467806 /nfs/dbraw/zinc/46/78/06/1123467806.db2.gz DNLIMISHXJCDJQ-OLZOCXBDSA-N 0 1 298.390 3.627 20 0 CHADMN Cc1ccc(OCCN2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000854043986 1123467852 /nfs/dbraw/zinc/46/78/52/1123467852.db2.gz VITJHTXMJDICPB-SFHVURJKSA-N 0 1 296.414 3.852 20 0 CHADMN C[C@H]1CCC[C@H](CC(=O)Nc2cccc(-c3cn[nH]n3)c2)C1 ZINC000443666304 1123467874 /nfs/dbraw/zinc/46/78/74/1123467874.db2.gz DNLIMISHXJCDJQ-STQMWFEESA-N 0 1 298.390 3.627 20 0 CHADMN CC(C)CC(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000111989856 1123472769 /nfs/dbraw/zinc/47/27/69/1123472769.db2.gz KIQSREGEIRDXHK-SECBINFHSA-N 0 1 280.755 3.867 20 0 CHADMN C[C@H](OC(=O)C1CCC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000111988960 1123472814 /nfs/dbraw/zinc/47/28/14/1123472814.db2.gz SQGHROYMGNKQRM-QMMMGPOBSA-N 0 1 278.739 3.621 20 0 CHADMN Cc1ncoc1CN1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000895388762 1123473838 /nfs/dbraw/zinc/47/38/38/1123473838.db2.gz KMSNNHAIQAMXAF-CYBMUJFWSA-N 0 1 292.329 3.641 20 0 CHADMN CC(C)(C)OC(=O)N1CCC=C(c2ccc3nc[nH]c3c2)C1 ZINC000854190102 1123474031 /nfs/dbraw/zinc/47/40/31/1123474031.db2.gz LRMDIVSQFPSKAD-UHFFFAOYSA-N 0 1 299.374 3.587 20 0 CHADMN CC(C)CC1(NCc2csc(C(F)(F)F)n2)CC1 ZINC000895450196 1123481708 /nfs/dbraw/zinc/48/17/08/1123481708.db2.gz CMOSMQKVLRXKQT-UHFFFAOYSA-N 0 1 278.343 3.830 20 0 CHADMN CCn1cc(CN[C@@]2(c3ccccc3)CC2(C)C)c(C)n1 ZINC000895482725 1123485672 /nfs/dbraw/zinc/48/56/72/1123485672.db2.gz VLMGJCWIBYHYHS-GOSISDBHSA-N 0 1 283.419 3.626 20 0 CHADMN Fc1ccc(OCCCN2Cc3ccccc3C2)cc1 ZINC000034022254 1123491958 /nfs/dbraw/zinc/49/19/58/1123491958.db2.gz WCJWSEMBOMOJTJ-UHFFFAOYSA-N 0 1 271.335 3.610 20 0 CHADMN CC(C)C[C@H](C[N@@H+](C)Cc1cc[nH]n1)c1ccccc1 ZINC000474262531 1123496980 /nfs/dbraw/zinc/49/69/80/1123496980.db2.gz CEKFOCNAUORWTE-MRXNPFEDSA-N 0 1 271.408 3.671 20 0 CHADMN CC(C)C[C@H](CN(C)Cc1cc[nH]n1)c1ccccc1 ZINC000474262531 1123496982 /nfs/dbraw/zinc/49/69/82/1123496982.db2.gz CEKFOCNAUORWTE-MRXNPFEDSA-N 0 1 271.408 3.671 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)oc1C(=O)[O-] ZINC000634697887 1129126086 /nfs/dbraw/zinc/12/60/86/1129126086.db2.gz VJOCQNDDZDXBQI-CQSZACIVSA-N 0 1 291.391 3.688 20 0 CHADMN COCC1(C2CC2)CN(Cc2ccc(C(F)F)c(F)c2)C1 ZINC000895750818 1123510775 /nfs/dbraw/zinc/51/07/75/1123510775.db2.gz CHEQEAJOFMKLNT-UHFFFAOYSA-N 0 1 299.336 3.622 20 0 CHADMN CC[C@@H](COC)Nc1ccc(N(CC)C(C)C)cc1 ZINC000776801917 1123512927 /nfs/dbraw/zinc/51/29/27/1123512927.db2.gz GKLREAAAARDVKK-AWEZNQCLSA-N 0 1 264.413 3.758 20 0 CHADMN FC(F)(F)c1sccc1CN1C[C@@H]2CSC[C@@H]2C1 ZINC000895777642 1123513801 /nfs/dbraw/zinc/51/38/01/1123513801.db2.gz YAHZXJHILNYBQY-AOOOYVTPSA-N 0 1 293.379 3.562 20 0 CHADMN CC[C@@H](C(=O)N(CC)c1ccc2ccccc2c1)N(C)C ZINC000840301096 1123524160 /nfs/dbraw/zinc/52/41/60/1123524160.db2.gz NRUFSOOHSYYHES-KRWDZBQOSA-N 0 1 284.403 3.533 20 0 CHADMN CN(CCCF)Cc1cccc(F)c1OCC(F)(F)F ZINC000895896082 1123529364 /nfs/dbraw/zinc/52/93/64/1123529364.db2.gz LHUAPLZNNRTZLP-UHFFFAOYSA-N 0 1 297.267 3.558 20 0 CHADMN CN(CCCF)Cc1csc(C(F)(F)F)c1 ZINC000895896515 1123529448 /nfs/dbraw/zinc/52/94/48/1123529448.db2.gz WHPNYGKOKCITKH-UHFFFAOYSA-N 0 1 255.280 3.558 20 0 CHADMN O=C(Cc1cccc(F)c1)Nc1cc(F)cc(Cl)c1O ZINC000474445166 1123531097 /nfs/dbraw/zinc/53/10/97/1123531097.db2.gz KTANKMKJZPUVTH-UHFFFAOYSA-N 0 1 297.688 3.505 20 0 CHADMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNCc1csc(C(F)(F)F)n1 ZINC000896049394 1123544861 /nfs/dbraw/zinc/54/48/61/1123544861.db2.gz ZAQHNNBQCDCMSD-DEKFOEGESA-N 0 1 290.354 3.544 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1cnc2ccccn12 ZINC000157494753 1129128874 /nfs/dbraw/zinc/12/88/74/1129128874.db2.gz PVMFOYALRWWUPV-ZDUSSCGKSA-N 0 1 283.350 3.666 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H]1CC12CCCCC2 ZINC000543707184 1123550328 /nfs/dbraw/zinc/55/03/28/1123550328.db2.gz QZUWENMPOYYWDV-SECBINFHSA-N 0 1 283.322 3.565 20 0 CHADMN Cn1ccnc1[C@@H](NCCC1CC1)c1ccc(Cl)cc1 ZINC000453149666 1123554972 /nfs/dbraw/zinc/55/49/72/1123554972.db2.gz KZYDBWCGMQMZJT-HNNXBMFYSA-N 0 1 289.810 3.553 20 0 CHADMN Cc1ncc([C@H](C)NCc2cnc(C3CC3)s2)s1 ZINC000631223451 1123557526 /nfs/dbraw/zinc/55/75/26/1123557526.db2.gz AVZXAYMFBQRXJO-QMMMGPOBSA-N 0 1 279.434 3.636 20 0 CHADMN Cc1ccccc1[C@H](NCc1cn(C)nc1Cl)C1CC1 ZINC000856770858 1123568322 /nfs/dbraw/zinc/56/83/22/1123568322.db2.gz PCJOKMAIVFTACZ-OAHLLOKOSA-N 0 1 289.810 3.623 20 0 CHADMN CC[C@H](NCc1nccnc1C)c1cc(C)ccc1C ZINC000623752732 1123569064 /nfs/dbraw/zinc/56/90/64/1123569064.db2.gz KHJNYQKLZHLGGJ-INIZCTEOSA-N 0 1 269.392 3.643 20 0 CHADMN CC(C)c1ccc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])cc1 ZINC000080992241 1129130905 /nfs/dbraw/zinc/13/09/05/1129130905.db2.gz AVQQYFQLVNRCKI-INIZCTEOSA-N 0 1 275.392 3.639 20 0 CHADMN CCc1nc(C(C)C)ccc1CN1CCSC[C@H]1C ZINC000339001844 1123581263 /nfs/dbraw/zinc/58/12/63/1123581263.db2.gz STXDPVKPGHUUSE-CYBMUJFWSA-N 0 1 278.465 3.705 20 0 CHADMN Cc1nc(C)c(CN2CC(C)(c3ccccc3)C2)s1 ZINC000857059067 1123583164 /nfs/dbraw/zinc/58/31/64/1123583164.db2.gz ZLCIOGSILLCNBL-UHFFFAOYSA-N 0 1 272.417 3.533 20 0 CHADMN CCCC[C@H](CC)CCCN(C)C(=O)c1cnc(C)[nH]1 ZINC000621111233 1129131117 /nfs/dbraw/zinc/13/11/17/1129131117.db2.gz DOYVZGHTUPWERS-AWEZNQCLSA-N 0 1 279.428 3.787 20 0 CHADMN Cc1nc(CN2CCCC[C@H]2c2ccc(C(C)C)cc2)n[nH]1 ZINC000428301408 1123586024 /nfs/dbraw/zinc/58/60/24/1123586024.db2.gz AAYISHGVATXJBY-KRWDZBQOSA-N 0 1 298.434 3.964 20 0 CHADMN Cc1ccccc1CN1CCC[C@H](OCC(F)(F)F)C1 ZINC000613267314 1123598556 /nfs/dbraw/zinc/59/85/56/1123598556.db2.gz MGGFSGKOJNZKHA-AWEZNQCLSA-N 0 1 287.325 3.538 20 0 CHADMN CC(C)(/C=C/Cl)NCc1cnc(CC(F)(F)F)s1 ZINC000896750133 1123619583 /nfs/dbraw/zinc/61/95/83/1123619583.db2.gz BGKZXYRCQNQILC-ONEGZZNKSA-N 0 1 298.761 3.869 20 0 CHADMN CC(C)[C@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(F)cc1 ZINC000857845787 1123620670 /nfs/dbraw/zinc/62/06/70/1123620670.db2.gz BWZFRTKZHAWYDE-CVEARBPZSA-N 0 1 287.382 3.913 20 0 CHADMN CC(C)OCc1ccccc1CN[C@@H]1CCCc2c[nH]nc21 ZINC000857850655 1123622463 /nfs/dbraw/zinc/62/24/63/1123622463.db2.gz WJHXXSVKEFCBNV-QGZVFWFLSA-N 0 1 299.418 3.502 20 0 CHADMN CC(F)(F)c1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000857868644 1123623132 /nfs/dbraw/zinc/62/31/32/1123623132.db2.gz YTHUZMIZFDHPIY-CQSZACIVSA-N 0 1 291.345 3.689 20 0 CHADMN Fc1ccc(CNC/C=C\c2ccccc2)c(F)c1 ZINC000210541430 1123623352 /nfs/dbraw/zinc/62/33/52/1123623352.db2.gz XTWUFAOGDIMOSV-DAXSKMNVSA-N 0 1 259.299 3.768 20 0 CHADMN CC(C)CN(CC(C)(C)C)C(=O)c1[nH]nc2ccccc21 ZINC000474984479 1123624200 /nfs/dbraw/zinc/62/42/00/1123624200.db2.gz HHYWFPHIDKWACS-UHFFFAOYSA-N 0 1 287.407 3.707 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccc(F)cc2C)o1 ZINC000896798803 1123628563 /nfs/dbraw/zinc/62/85/63/1123628563.db2.gz QRCCMROMKPCSDM-GFCCVEGCSA-N 0 1 277.339 3.977 20 0 CHADMN CCO[C@@H](CNCc1cccnc1Cl)c1ccccc1 ZINC000194462909 1129134558 /nfs/dbraw/zinc/13/45/58/1129134558.db2.gz AHCULTHNDWEHRA-HNNXBMFYSA-N 0 1 290.794 3.602 20 0 CHADMN CC(C)c1ccc(CNCc2ccnc(F)c2)cc1 ZINC000858106837 1123632142 /nfs/dbraw/zinc/63/21/42/1123632142.db2.gz ARQVSBXKJSGZEI-UHFFFAOYSA-N 0 1 258.340 3.634 20 0 CHADMN CC(C)(C)c1ccc(CNCc2ccnc(F)c2)cc1 ZINC000858116165 1123632486 /nfs/dbraw/zinc/63/24/86/1123632486.db2.gz POKVGOCDOFUMHA-UHFFFAOYSA-N 0 1 272.367 3.808 20 0 CHADMN c1nc(CN2CCC[C@@H]2CCC2CCCCC2)co1 ZINC000191947206 1123633440 /nfs/dbraw/zinc/63/34/40/1123633440.db2.gz XEAURDPNTJVRIB-MRXNPFEDSA-N 0 1 262.397 4.000 20 0 CHADMN CC(F)(F)c1ccc(CNCc2ccnc(F)c2)cc1 ZINC000858169429 1123636086 /nfs/dbraw/zinc/63/60/86/1123636086.db2.gz UXUSPSYTERIVSJ-UHFFFAOYSA-N 0 1 280.293 3.622 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)s2)CC[C@@H]1C(=O)[O-] ZINC000312503305 1123638345 /nfs/dbraw/zinc/63/83/45/1123638345.db2.gz KUAJIFJCMNBUAL-AAEUAGOBSA-N 0 1 295.448 3.588 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccn2)C2CCC2)c(C)o1 ZINC000858238293 1123639446 /nfs/dbraw/zinc/63/94/46/1123639446.db2.gz HQHYXHQMTWOFEK-QGZVFWFLSA-N 0 1 270.376 3.922 20 0 CHADMN CO[C@H](CN[C@H](C)c1cc2ccccc2o1)C(F)(F)F ZINC000777011253 1123640754 /nfs/dbraw/zinc/64/07/54/1123640754.db2.gz MBKXPYSZBMVUSC-NOZJJQNGSA-N 0 1 287.281 3.661 20 0 CHADMN Clc1ccc2c(c1)[C@H](NCc1cnc(C3CC3)nc1)CC2 ZINC000858321175 1123645049 /nfs/dbraw/zinc/64/50/49/1123645049.db2.gz VBYIDWKDHNWYJI-MRXNPFEDSA-N 0 1 299.805 3.785 20 0 CHADMN C[C@H](NCC1(O)CCC1)c1cc(Cl)sc1Cl ZINC000167486941 1123649913 /nfs/dbraw/zinc/64/99/13/1123649913.db2.gz YTUSCXOVJRBCDW-ZETCQYMHSA-N 0 1 280.220 3.621 20 0 CHADMN CC(C)[C@@H]1C[C@H](N[C@H](C)c2ncc[nH]2)c2ccccc21 ZINC000858521675 1123660252 /nfs/dbraw/zinc/66/02/52/1123660252.db2.gz UEWTZSIRCCQMEZ-KCXAZCMYSA-N 0 1 269.392 3.945 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccns2)c(C)n1 ZINC000858577912 1123664452 /nfs/dbraw/zinc/66/44/52/1123664452.db2.gz SLAYCVXSCVOVED-RYUDHWBXSA-N 0 1 261.394 3.567 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H]1CCc2ccc(Cl)cc21 ZINC000858583358 1123666001 /nfs/dbraw/zinc/66/60/01/1123666001.db2.gz ZXEKGTIIBIWOFB-IAQYHMDHSA-N 0 1 287.794 3.777 20 0 CHADMN CCc1cnc(CN(C[C@@H]2CCCO2)C2CCCC2)s1 ZINC000346215452 1123671118 /nfs/dbraw/zinc/67/11/18/1123671118.db2.gz KCSNDRDBJDCPTE-AWEZNQCLSA-N 0 1 294.464 3.629 20 0 CHADMN Cc1nc(CN[C@H]2C[C@@H]2C2CCCCC2)cs1 ZINC001200823655 1123675747 /nfs/dbraw/zinc/67/57/47/1123675747.db2.gz ZTTKWWWXTCKXGD-KGLIPLIRSA-N 0 1 250.411 3.510 20 0 CHADMN C[C@@H]1CN(Cc2cnc([C@@H]3CCCO3)s2)CC(C)(C)C1 ZINC000346323412 1123678997 /nfs/dbraw/zinc/67/89/97/1123678997.db2.gz IMBSVXXTCYFQSU-JSGCOSHPSA-N 0 1 294.464 3.863 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)Cc1ccnc(F)c1 ZINC000859050070 1123681186 /nfs/dbraw/zinc/68/11/86/1123681186.db2.gz GPTVUQWXXHYKMD-LLVKDONJSA-N 0 1 262.303 3.553 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2ccnc(F)c2)cc1 ZINC000859051066 1123681345 /nfs/dbraw/zinc/68/13/45/1123681345.db2.gz AFMRRAAMLSVLFM-MRXNPFEDSA-N 0 1 270.351 3.866 20 0 CHADMN Fc1cc(CN2CCCCC[C@@H]2c2ccncc2)ccn1 ZINC000859074923 1123682692 /nfs/dbraw/zinc/68/26/92/1123682692.db2.gz PEMXXZWUNWKTGX-MRXNPFEDSA-N 0 1 285.366 3.733 20 0 CHADMN CCCCN(C(=O)c1cccc2c[nH]nc21)[C@H](C)CC ZINC000346455768 1123687717 /nfs/dbraw/zinc/68/77/17/1123687717.db2.gz AOFTUZPQPOBJKW-GFCCVEGCSA-N 0 1 273.380 3.604 20 0 CHADMN C[C@@H](CCC(C)(C)C)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000346479780 1123688859 /nfs/dbraw/zinc/68/88/59/1123688859.db2.gz RFLZQLKFHAJSAU-JTQLQIEISA-N 0 1 291.370 3.647 20 0 CHADMN COc1cc2c(cc1F)CC[C@@H]2N[C@@H](C)c1ccccn1 ZINC000281286118 1123694355 /nfs/dbraw/zinc/69/43/55/1123694355.db2.gz QCMGYBRPSSDCBO-ZBEGNZNMSA-N 0 1 286.350 3.567 20 0 CHADMN Cc1nn(C(C)C)cc1CNCc1cc2ccccc2[nH]1 ZINC000281286698 1123694430 /nfs/dbraw/zinc/69/44/30/1123694430.db2.gz IGZMZGGMOHAPFZ-UHFFFAOYSA-N 0 1 282.391 3.544 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2ccc(F)cc21)c1nccn1C ZINC000281296886 1123695226 /nfs/dbraw/zinc/69/52/26/1123695226.db2.gz YJWYGXJSHWLGOH-JKSUJKDBSA-N 0 1 287.382 3.678 20 0 CHADMN CCc1ccc([C@H]2CC[N@@H+](Cc3ccnc(F)c3)C2)cc1 ZINC000859314003 1123695389 /nfs/dbraw/zinc/69/53/89/1123695389.db2.gz NKMCXDHMIWZIDG-KRWDZBQOSA-N 0 1 284.378 3.773 20 0 CHADMN FC1(F)CC12C[C@H]1CC[C@@H](C2)N1Cc1ccc(Cl)nc1 ZINC000859426668 1123697524 /nfs/dbraw/zinc/69/75/24/1123697524.db2.gz VXQXRUQYUGVLMO-ONXXMXGDSA-N 0 1 298.764 3.887 20 0 CHADMN C[C@@H]1CC=CC[C@@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000346581865 1123697482 /nfs/dbraw/zinc/69/74/82/1123697482.db2.gz KLKSVPIPHNDFCH-PWSUYJOCSA-N 0 1 280.331 3.683 20 0 CHADMN CC(C)(C)c1nnc(CN[C@H]2CCC(C)(C)C2)s1 ZINC000346619764 1123698718 /nfs/dbraw/zinc/69/87/18/1123698718.db2.gz HSOHYKMFFFLHTH-JTQLQIEISA-N 0 1 267.442 3.504 20 0 CHADMN COc1ccc(CNc2ccc3nc[nH]c3c2)cc1Cl ZINC000346636462 1123703350 /nfs/dbraw/zinc/70/33/50/1123703350.db2.gz BDWPXRYCUDFECB-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN CC1(C)C[C@H]1N[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000346642303 1123704420 /nfs/dbraw/zinc/70/44/20/1123704420.db2.gz SMTVZYLINSXMMD-CVEARBPZSA-N 0 1 270.351 3.698 20 0 CHADMN Cc1cc[nH]c1C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000281418458 1123707118 /nfs/dbraw/zinc/70/71/18/1123707118.db2.gz XTUSLBHFZAXFFG-UHFFFAOYSA-N 0 1 297.402 3.547 20 0 CHADMN Cc1ccc(CNc2ccc3nc[nH]c3c2)c(C)c1 ZINC000346684872 1123708927 /nfs/dbraw/zinc/70/89/27/1123708927.db2.gz PXWSEGNPUKEBCR-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000859804595 1123710304 /nfs/dbraw/zinc/71/03/04/1123710304.db2.gz QYXLAQPMGLKIDM-OAHLLOKOSA-N 0 1 293.407 3.579 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccccc2SC)nc1 ZINC000281469874 1123710562 /nfs/dbraw/zinc/71/05/62/1123710562.db2.gz BMBICDCXORZDRP-LBPRGKRZSA-N 0 1 288.416 3.663 20 0 CHADMN Cc1nc(CN(Cc2ccccc2)CC(C)C)oc1C ZINC000346800420 1123714337 /nfs/dbraw/zinc/71/43/37/1123714337.db2.gz YGLQGUNAVHJCQG-UHFFFAOYSA-N 0 1 272.392 3.950 20 0 CHADMN Cc1ccc2nc(CNC(=O)c3ccoc3C(C)C)[nH]c2c1 ZINC000281552443 1123725338 /nfs/dbraw/zinc/72/53/38/1123725338.db2.gz SZBPZJJZLCCPGZ-UHFFFAOYSA-N 0 1 297.358 3.518 20 0 CHADMN COc1ccncc1CN1CCC[C@@H]1c1ccc(C)cc1 ZINC000346877517 1123728890 /nfs/dbraw/zinc/72/88/90/1123728890.db2.gz XVIIMTGEXZMJEN-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN CC1(C)CCc2ccccc2[C@H](NCc2ncc[nH]2)C1 ZINC000281674629 1123735076 /nfs/dbraw/zinc/73/50/76/1123735076.db2.gz LXETVQIPIZZFLC-OAHLLOKOSA-N 0 1 269.392 3.603 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCCn3ccnc32)c(C)s1 ZINC000655698337 1123750980 /nfs/dbraw/zinc/75/09/80/1123750980.db2.gz UXEIUZUAHDGDSI-RISCZKNCSA-N 0 1 275.421 3.747 20 0 CHADMN Cc1cc(CN2CC[C@H](C)C[C@H]2C(N)=O)cc2cccnc12 ZINC000336279413 1123755490 /nfs/dbraw/zinc/75/54/90/1123755490.db2.gz BNTRRPBPFHGICQ-LRDDRELGSA-N 0 1 297.402 3.679 20 0 CHADMN Cc1cc(CN2CC[C@H](C)C[C@@H]2C(N)=O)cc2cccnc12 ZINC000336279412 1123755560 /nfs/dbraw/zinc/75/55/60/1123755560.db2.gz BNTRRPBPFHGICQ-BLLLJJGKSA-N 0 1 297.402 3.679 20 0 CHADMN Cc1cc(C)c(CN2CCC(C(F)(F)F)CC2)c(C)n1 ZINC000639507155 1123759300 /nfs/dbraw/zinc/75/93/00/1123759300.db2.gz ZDRHBHMQJJTHCW-UHFFFAOYSA-N 0 1 286.341 3.781 20 0 CHADMN Cc1n[nH]c(C)c1CN[C@@H]1CCc2sc(Cl)cc21 ZINC000336406160 1123770074 /nfs/dbraw/zinc/77/00/74/1123770074.db2.gz YMOUMCMKYDRIAQ-LLVKDONJSA-N 0 1 281.812 3.519 20 0 CHADMN CCC(C)(C)NC(=O)[C@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000042336653 1123781830 /nfs/dbraw/zinc/78/18/30/1123781830.db2.gz DKQAONRWXKGSFA-NEPJUHHUSA-N 0 1 296.842 3.684 20 0 CHADMN CC(C)CCN(C)Cc1ccccc1Br ZINC000042223484 1123784023 /nfs/dbraw/zinc/78/40/23/1123784023.db2.gz PVSAFYXVHLOQKP-UHFFFAOYSA-N 0 1 270.214 3.927 20 0 CHADMN CSCC1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000896936789 1123789551 /nfs/dbraw/zinc/78/95/51/1123789551.db2.gz DKHSCTNSCVUDOZ-UHFFFAOYSA-N 0 1 296.505 3.986 20 0 CHADMN Cc1ccc(CNCc2ccc(Cl)nc2)cc1Cl ZINC000195437844 1129145657 /nfs/dbraw/zinc/14/56/57/1129145657.db2.gz MOJVVUWZTOZWFT-UHFFFAOYSA-N 0 1 281.186 3.987 20 0 CHADMN Cc1c(F)nccc1CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000862216675 1123793406 /nfs/dbraw/zinc/79/34/06/1123793406.db2.gz JNSCQWFIOVXDTR-LBPRGKRZSA-N 0 1 276.330 3.861 20 0 CHADMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)C1CC(F)(F)C1 ZINC000862262843 1123796251 /nfs/dbraw/zinc/79/62/51/1123796251.db2.gz XIHQKDMYOQWLJP-JTQLQIEISA-N 0 1 286.341 3.733 20 0 CHADMN Cc1c(CN2C[C@@H](C)C[C@H]2c2cccnc2)ccnc1F ZINC000862326024 1123800354 /nfs/dbraw/zinc/80/03/54/1123800354.db2.gz IHFNRGKHFBIVIJ-LRDDRELGSA-N 0 1 285.366 3.507 20 0 CHADMN C[C@]1(CN2Cc3cccc(Cl)c3C2)CCCS1 ZINC000862368944 1123804384 /nfs/dbraw/zinc/80/43/84/1123804384.db2.gz NLJYIZNJUXACMI-CQSZACIVSA-N 0 1 267.825 3.941 20 0 CHADMN Cc1ccccc1CC1CN(Cc2ccnc(F)c2C)C1 ZINC000862389587 1123805506 /nfs/dbraw/zinc/80/55/06/1123805506.db2.gz SUOVXJWSXVNHCG-UHFFFAOYSA-N 0 1 284.378 3.512 20 0 CHADMN Cc1ccccc1C1(NCc2ccnc(F)c2C)CC1 ZINC000862398751 1123806723 /nfs/dbraw/zinc/80/67/23/1123806723.db2.gz OVOFFQATRGFRMM-UHFFFAOYSA-N 0 1 270.351 3.616 20 0 CHADMN CCC[C@H](NCc1ccccc1COC)c1ccccn1 ZINC000158551273 1129146847 /nfs/dbraw/zinc/14/68/47/1129146847.db2.gz DLABJEMDQYQGTC-KRWDZBQOSA-N 0 1 284.403 3.859 20 0 CHADMN C/C=C/C[C@@H]1CCCN(Cc2coc(C3CC3)n2)C1 ZINC000862551051 1123819676 /nfs/dbraw/zinc/81/96/76/1123819676.db2.gz QHGCYBJAOYIQPS-YWVDXFKGSA-N 0 1 260.381 3.730 20 0 CHADMN Cc1ccc(-c2nc(CN[C@H]3CCCSC3)co2)cc1 ZINC000119069541 1123827002 /nfs/dbraw/zinc/82/70/02/1123827002.db2.gz OIYMZHMFCIJRDI-AWEZNQCLSA-N 0 1 288.416 3.635 20 0 CHADMN CC/C=C\CCN1CCn2c(Cl)ccc2[C@@H]1C ZINC000794446931 1123827369 /nfs/dbraw/zinc/82/73/69/1123827369.db2.gz UNGCBDOBFVPHDZ-RXNFCKPNSA-N 0 1 252.789 3.874 20 0 CHADMN C[C@@H]1CC[C@H](N(C)Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC000339045013 1123829322 /nfs/dbraw/zinc/82/93/22/1123829322.db2.gz RJJKFUDSERFYTF-HIFRSBDPSA-N 0 1 269.392 3.697 20 0 CHADMN Cc1cc(CN[C@H]2CCc3cc(F)ccc32)c(C)o1 ZINC000119336208 1123852846 /nfs/dbraw/zinc/85/28/46/1123852846.db2.gz LLPMJNUFSQASSK-INIZCTEOSA-N 0 1 259.324 3.813 20 0 CHADMN C[C@H]1C[C@H](C)[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000475375350 1123853348 /nfs/dbraw/zinc/85/33/48/1123853348.db2.gz PROLZYFUILTESC-RYUDHWBXSA-N 0 1 274.339 3.711 20 0 CHADMN Cc1cccc2c1CCN(Cc1ccccc1F)C2 ZINC000148271400 1123859305 /nfs/dbraw/zinc/85/93/05/1123859305.db2.gz PQRPNTXPQJQCEO-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN CCCCN(CC)Cc1nc(-c2ccc(CC)cc2)no1 ZINC000248278533 1123866395 /nfs/dbraw/zinc/86/63/95/1123866395.db2.gz ZXSOSYVMHKLJRT-UHFFFAOYSA-N 0 1 287.407 3.921 20 0 CHADMN CCC(C)(C)c1ccc(CN[C@H](C)c2ccnn2C)cc1 ZINC000193043286 1123870883 /nfs/dbraw/zinc/87/08/83/1123870883.db2.gz POGZGMKIKHJCAT-CQSZACIVSA-N 0 1 285.435 3.959 20 0 CHADMN C[C@@H](NCc1nc(C2CCC2)no1)C(C)(C)c1ccccc1 ZINC000639576323 1123877167 /nfs/dbraw/zinc/87/71/67/1123877167.db2.gz CCLQTRPDZSMFDA-CYBMUJFWSA-N 0 1 299.418 3.793 20 0 CHADMN C[C@H](NC1CC(F)(F)C1)c1ccccc1Br ZINC000277234781 1129151447 /nfs/dbraw/zinc/15/14/47/1129151447.db2.gz ZBORHCQJOSODGJ-QMMMGPOBSA-N 0 1 290.151 3.897 20 0 CHADMN CCC(CC)[C@@H](O)CNc1ccnc2cc(F)ccc21 ZINC000301232811 1123883495 /nfs/dbraw/zinc/88/34/95/1123883495.db2.gz BLTJDUVGLGITIK-INIZCTEOSA-N 0 1 276.355 3.583 20 0 CHADMN Fc1ccc2c(c1)nccc2NCc1ccc2c(c1)OCO2 ZINC000301230772 1123883587 /nfs/dbraw/zinc/88/35/87/1123883587.db2.gz APWSQZFRLNELNC-UHFFFAOYSA-N 0 1 296.301 3.715 20 0 CHADMN CN(CCc1ccncc1)Cc1cccc(F)c1Cl ZINC000339060719 1123884105 /nfs/dbraw/zinc/88/41/05/1123884105.db2.gz NOBSVLXNWZQZLH-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN CC(C)COCCCNc1ccnc2cc(F)ccc21 ZINC000301267166 1123885500 /nfs/dbraw/zinc/88/55/00/1123885500.db2.gz MNSBTXZMBPVGKY-UHFFFAOYSA-N 0 1 276.355 3.849 20 0 CHADMN CCN[C@H](C)c1nc(-c2ccc3sccc3c2)no1 ZINC000863662342 1123886086 /nfs/dbraw/zinc/88/60/86/1123886086.db2.gz VNDKKFPAKKOFKE-SECBINFHSA-N 0 1 273.361 3.622 20 0 CHADMN Cc1ccc2nc(SCc3ncc(Cl)n3C)[nH]c2c1 ZINC000014754676 1123887822 /nfs/dbraw/zinc/88/78/22/1123887822.db2.gz UPJPHRKACURLMJ-UHFFFAOYSA-N 0 1 292.795 3.551 20 0 CHADMN CC1(C)[C@H](Nc2ccnc3cc(F)ccc32)[C@@H]2CCO[C@H]21 ZINC000301324799 1123890784 /nfs/dbraw/zinc/89/07/84/1123890784.db2.gz AFPLESUYNRVCRO-APHBMKBZSA-N 0 1 286.350 3.599 20 0 CHADMN CC[C@@H]1CN(c2cc(C)nc3ccc(F)cc32)C[C@H](C)O1 ZINC000301678346 1123923509 /nfs/dbraw/zinc/92/35/09/1123923509.db2.gz QZTCQGXRSIFSOG-GXTWGEPZSA-N 0 1 288.366 3.686 20 0 CHADMN CC[C@@H]1CN(c2cc(C)nc3ccc(F)cc32)C[C@@H](C)O1 ZINC000301678351 1123923646 /nfs/dbraw/zinc/92/36/46/1123923646.db2.gz QZTCQGXRSIFSOG-TZMCWYRMSA-N 0 1 288.366 3.686 20 0 CHADMN Cc1sc(C)c2c1[nH]c([C@H]1CSCCS1)nc2=O ZINC000864354569 1123924624 /nfs/dbraw/zinc/92/46/24/1123924624.db2.gz GXMBCCIZZIVTTN-MRVPVSSYSA-N 0 1 298.458 3.535 20 0 CHADMN Cc1cc(NCC[C@@H](O)C(C)C)c2cc(F)ccc2n1 ZINC000301696439 1123924950 /nfs/dbraw/zinc/92/49/50/1123924950.db2.gz YZWJGYPOEUTTSA-MRXNPFEDSA-N 0 1 276.355 3.501 20 0 CHADMN CSCC[C@H](C)N(C)c1ccnc2cc(F)ccc21 ZINC000301735422 1123928658 /nfs/dbraw/zinc/92/86/58/1123928658.db2.gz HAPPEMBGCNUOME-NSHDSACASA-N 0 1 278.396 3.952 20 0 CHADMN FC(F)(F)c1ccc2c(c1)nccc2NC[C@@H]1CCCO1 ZINC000301811804 1123934764 /nfs/dbraw/zinc/93/47/64/1123934764.db2.gz YBFANFKEBDJUAE-NSHDSACASA-N 0 1 296.292 3.845 20 0 CHADMN CCc1cccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2)c1 ZINC000621266491 1129154667 /nfs/dbraw/zinc/15/46/67/1129154667.db2.gz NPXKNAJTHUVYKA-OAHLLOKOSA-N 0 1 296.414 3.708 20 0 CHADMN C[C@@H]1CC(Nc2ccnc3cc(F)ccc32)C[C@@H](C)O1 ZINC000301924355 1123943997 /nfs/dbraw/zinc/94/39/97/1123943997.db2.gz GOZHZFBCCMHLIC-GHMZBOCLSA-N 0 1 274.339 3.742 20 0 CHADMN Fc1ncccc1CN[C@@H]1CCc2c1cccc2Cl ZINC000794828181 1123962190 /nfs/dbraw/zinc/96/21/90/1123962190.db2.gz LNCRFZYVJSRRKN-CQSZACIVSA-N 0 1 276.742 3.651 20 0 CHADMN CSc1ccc([C@@H](C)NCc2cccnc2F)cc1 ZINC000794831112 1123963461 /nfs/dbraw/zinc/96/34/61/1123963461.db2.gz CMVGNVCDMNHQAF-LLVKDONJSA-N 0 1 276.380 3.793 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cccnc1F)[C@@H](C)C2 ZINC000794830657 1123963501 /nfs/dbraw/zinc/96/35/01/1123963501.db2.gz ZYLNERHZWTZHNH-BLLLJJGKSA-N 0 1 270.351 3.552 20 0 CHADMN COc1ccc(C[C@@H](C)CNc2cccc(C)n2)cc1 ZINC000302241462 1123964519 /nfs/dbraw/zinc/96/45/19/1123964519.db2.gz NYBGGWUUWFLFIM-CYBMUJFWSA-N 0 1 270.376 3.689 20 0 CHADMN COc1cccc(C(C)(C)CNc2cccc(C)n2)c1 ZINC000302245918 1123965275 /nfs/dbraw/zinc/96/52/75/1123965275.db2.gz SRZKGABLGOQKDD-UHFFFAOYSA-N 0 1 270.376 3.788 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccnc2F)c(C)c1 ZINC000794835625 1123971663 /nfs/dbraw/zinc/97/16/63/1123971663.db2.gz RCWMZJLQZACQDZ-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN CO[C@@H]1CN(c2cc(C)nc3ccc(F)cc32)CC[C@H]1C ZINC000302566806 1123972725 /nfs/dbraw/zinc/97/27/25/1123972725.db2.gz OWPZSHSNEWUFMQ-PIGZYNQJSA-N 0 1 288.366 3.544 20 0 CHADMN O=C(c1cc(C(F)F)[nH]n1)N1CCCC2(CCCCC2)C1 ZINC000639724672 1123974644 /nfs/dbraw/zinc/97/46/44/1123974644.db2.gz CRGMKQMTDLNGGV-UHFFFAOYSA-N 0 1 297.349 3.534 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](C)CCc1ccccc1 ZINC000159025741 1129157233 /nfs/dbraw/zinc/15/72/33/1129157233.db2.gz YBRCJQCPYDDIGI-CYBMUJFWSA-N 0 1 299.418 3.593 20 0 CHADMN Clc1ccc2nc(Sc3ncncc3Cl)[nH]c2c1 ZINC000302707711 1123978941 /nfs/dbraw/zinc/97/89/41/1123978941.db2.gz KKIYGIFUPONRIU-UHFFFAOYSA-N 0 1 297.170 3.811 20 0 CHADMN Cc1cnc([C@@H](C)N[C@@H](c2ccccc2C)C2CC2)cn1 ZINC000428348886 1123979371 /nfs/dbraw/zinc/97/93/71/1123979371.db2.gz UVRIPHGERDPFAD-RDTXWAMCSA-N 0 1 281.403 3.895 20 0 CHADMN O=c1[nH]ccc2oc(CN[C@H]3CCCc4ccccc43)cc21 ZINC000865397808 1123980278 /nfs/dbraw/zinc/98/02/78/1123980278.db2.gz NOBOSOIDMGKNDB-INIZCTEOSA-N 0 1 294.354 3.701 20 0 CHADMN Cc1cccc2c(Nc3cc4cn[nH]c4cc3C)ncnc12 ZINC000302726787 1123980288 /nfs/dbraw/zinc/98/02/88/1123980288.db2.gz PNALMESEIUHMBX-UHFFFAOYSA-N 0 1 289.342 3.867 20 0 CHADMN CCC[C@@H](NCc1cn(C2CC2)cn1)c1ccccc1 ZINC000865402990 1123981104 /nfs/dbraw/zinc/98/11/04/1123981104.db2.gz KUZFMYGFELWCAX-QGZVFWFLSA-N 0 1 269.392 3.849 20 0 CHADMN C[C@@H]1CSCCN(c2ccnc3cc(F)ccc32)C1 ZINC000302746434 1123981980 /nfs/dbraw/zinc/98/19/80/1123981980.db2.gz SXZRFWYWNODWIG-NSHDSACASA-N 0 1 276.380 3.563 20 0 CHADMN CCOc1cc(F)cc(CNCc2ccsc2)c1 ZINC000865414042 1123982246 /nfs/dbraw/zinc/98/22/46/1123982246.db2.gz HNNVMKNRGIMIPH-UHFFFAOYSA-N 0 1 265.353 3.576 20 0 CHADMN Cc1ccsc1CNCc1cccnc1Br ZINC000865431918 1123984156 /nfs/dbraw/zinc/98/41/56/1123984156.db2.gz NJTXXSFPURYEJL-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN Cc1ncsc1CNCc1cccc(Cl)c1C ZINC000865452643 1123985984 /nfs/dbraw/zinc/98/59/84/1123985984.db2.gz MGFICBLIIPTQNV-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN CN1CC[C@H](Nc2ncccc2Cl)[C@@H]1c1ccccc1 ZINC000302831362 1123986087 /nfs/dbraw/zinc/98/60/87/1123986087.db2.gz QVBJNHCVKUDKHM-GJZGRUSLSA-N 0 1 287.794 3.592 20 0 CHADMN COc1ncc(C[N@H+]2CCCC[C@@H]2c2ccccc2)c(C)n1 ZINC000337213001 1123987938 /nfs/dbraw/zinc/98/79/38/1123987938.db2.gz WAJVVIVDHDWJOQ-QGZVFWFLSA-N 0 1 297.402 3.521 20 0 CHADMN COc1ncc(CN2CCCC[C@@H]2c2ccccc2)c(C)n1 ZINC000337213001 1123987939 /nfs/dbraw/zinc/98/79/39/1123987939.db2.gz WAJVVIVDHDWJOQ-QGZVFWFLSA-N 0 1 297.402 3.521 20 0 CHADMN Fc1cccc(CNCc2ccc(CC(F)(F)F)cc2)n1 ZINC000865507774 1123990575 /nfs/dbraw/zinc/99/05/75/1123990575.db2.gz AOCZFJZRJDSQOK-UHFFFAOYSA-N 0 1 298.283 3.615 20 0 CHADMN OCC[C@H](NCc1cccc(CC2CCC2)c1)c1ccco1 ZINC000865530317 1123992304 /nfs/dbraw/zinc/99/23/04/1123992304.db2.gz IJRAIIIWTTZXAJ-SFHVURJKSA-N 0 1 299.414 3.836 20 0 CHADMN CCOc1cc(F)cc(CNCc2cscc2C)c1 ZINC000865545460 1123994444 /nfs/dbraw/zinc/99/44/44/1123994444.db2.gz KCWSZBMDCQSQEO-UHFFFAOYSA-N 0 1 279.380 3.884 20 0 CHADMN Cc1cc(C)c(/C=C\CN[C@H]2CCn3ccnc32)c(C)c1 ZINC000865583114 1123996756 /nfs/dbraw/zinc/99/67/56/1123996756.db2.gz ROOSUCREDRQXCK-CHYADLBTSA-N 0 1 281.403 3.556 20 0 CHADMN CCC[C@H](CNCc1c(Cl)cncc1Cl)OCC ZINC000865639115 1124002360 /nfs/dbraw/zinc/00/23/60/1124002360.db2.gz NXDUNLVFRQFLIK-SNVBAGLBSA-N 0 1 291.222 3.683 20 0 CHADMN c1snnc1CN[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC000865678034 1124003610 /nfs/dbraw/zinc/00/36/10/1124003610.db2.gz SUXMTHQVTSPUMV-LSDHHAIUSA-N 0 1 287.432 3.744 20 0 CHADMN Cc1cc(-c2noc([C@H](C)N3CC[C@@H](C)C3)n2)ccc1F ZINC000261386025 1124004072 /nfs/dbraw/zinc/00/40/72/1124004072.db2.gz KAJSVUPBLUCQEA-PWSUYJOCSA-N 0 1 289.354 3.587 20 0 CHADMN F[C@@H]1CCCC[C@@H]1NCc1cnc(-c2ccncc2)s1 ZINC000865696413 1124005250 /nfs/dbraw/zinc/00/52/50/1124005250.db2.gz CGVGXOLKLPDLPA-KGLIPLIRSA-N 0 1 291.395 3.575 20 0 CHADMN COc1cccc(CN(Cc2cc(C)no2)CC(C)C)c1 ZINC000621311139 1129160301 /nfs/dbraw/zinc/16/03/01/1129160301.db2.gz XRFMBAZFKJAGEC-UHFFFAOYSA-N 0 1 288.391 3.650 20 0 CHADMN Fc1ccc2onc(CNCc3cccc4c3CCC4)c2c1 ZINC000865761171 1124011822 /nfs/dbraw/zinc/01/18/22/1124011822.db2.gz KWACZOUKNHQZAH-UHFFFAOYSA-N 0 1 296.345 3.745 20 0 CHADMN CCc1ncc(CN[C@H](C)c2cc3cnccc3o2)s1 ZINC000865855063 1124021493 /nfs/dbraw/zinc/02/14/93/1124021493.db2.gz UNBKRFPBGASYJP-SNVBAGLBSA-N 0 1 287.388 3.698 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccccc2)c(F)c1OC ZINC000885894460 1124026756 /nfs/dbraw/zinc/02/67/56/1124026756.db2.gz VFURSSCMAYNPFB-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(C)nc(Cl)c2)cc1 ZINC000320658797 1124029775 /nfs/dbraw/zinc/02/97/75/1124029775.db2.gz WNHYYLGHSWDQFM-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CC[C@H]2CSC[C@@H]2C1 ZINC000866203296 1124037252 /nfs/dbraw/zinc/03/72/52/1124037252.db2.gz KGEIUHKTKQBCMI-RYUDHWBXSA-N 0 1 288.391 3.563 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CC[C@H]2CSC[C@H]2C1 ZINC000866203295 1124037575 /nfs/dbraw/zinc/03/75/75/1124037575.db2.gz KGEIUHKTKQBCMI-NWDGAFQWSA-N 0 1 288.391 3.563 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccncc1F)CCC2 ZINC000336210154 1124041665 /nfs/dbraw/zinc/04/16/65/1124041665.db2.gz MKEZYJDWROCJAX-QGZVFWFLSA-N 0 1 270.351 3.696 20 0 CHADMN CC(C)CCC1CCN(Cc2n[nH]c(C(C)C)n2)CC1 ZINC000428371718 1124044278 /nfs/dbraw/zinc/04/42/78/1124044278.db2.gz XQQCFXKOJRKJQM-UHFFFAOYSA-N 0 1 278.444 3.576 20 0 CHADMN CCCc1ccc(CNCc2cccnc2OCC)s1 ZINC000621328425 1129162802 /nfs/dbraw/zinc/16/28/02/1129162802.db2.gz RCXSDKCFJRDTBE-UHFFFAOYSA-N 0 1 290.432 3.784 20 0 CHADMN CC(C)C[C@@H]1CCCCN1Cc1nncn1-c1ccccc1 ZINC000444661134 1124049195 /nfs/dbraw/zinc/04/91/95/1124049195.db2.gz LBRZZKVVCYZOQM-KRWDZBQOSA-N 0 1 298.434 3.668 20 0 CHADMN OCC[C@@H](N[C@H]1CCCc2c(F)cccc21)c1ccco1 ZINC000866342587 1124054968 /nfs/dbraw/zinc/05/49/68/1124054968.db2.gz WWQHNXUMKAOZTJ-JKSUJKDBSA-N 0 1 289.350 3.509 20 0 CHADMN COCC(C)(C)CCCN[C@H]1c2ccccc2OC[C@@H]1F ZINC000866355918 1124056864 /nfs/dbraw/zinc/05/68/64/1124056864.db2.gz GQFZTZIMPPRRSX-HOCLYGCPSA-N 0 1 295.398 3.501 20 0 CHADMN Cc1cc(C)cc(CN(C)[C@@H](C)C(=O)Nc2ccccc2)c1 ZINC000444717229 1124057305 /nfs/dbraw/zinc/05/73/05/1124057305.db2.gz RPQJGFYEDIRMSU-INIZCTEOSA-N 0 1 296.414 3.762 20 0 CHADMN CC(C)CCc1noc(CN2CCC[C@@H](C(C)C)C2)n1 ZINC000444748665 1124058292 /nfs/dbraw/zinc/05/82/92/1124058292.db2.gz RANRWWJJUYEXFD-CQSZACIVSA-N 0 1 279.428 3.526 20 0 CHADMN c1cn2c(n1)[C@H](N[C@@H]1CCc3cccc4cccc1c43)CC2 ZINC000866367274 1124058399 /nfs/dbraw/zinc/05/83/99/1124058399.db2.gz XLYHXABJVAYRDH-IAGOWNOFSA-N 0 1 289.382 3.758 20 0 CHADMN CC[C@@H](NCc1cnn2ccccc12)c1ccccc1F ZINC000353912937 1124060557 /nfs/dbraw/zinc/06/05/57/1124060557.db2.gz FSZYMTCIDPYNDQ-MRXNPFEDSA-N 0 1 283.350 3.714 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cccc3cccc1c32)c1nccn1C ZINC000866391674 1124060781 /nfs/dbraw/zinc/06/07/81/1124060781.db2.gz NFOMSLRQEIBDFQ-CXAGYDPISA-N 0 1 291.398 3.911 20 0 CHADMN CC(C)[C@H]1CN(Cc2ccc(F)c(F)c2)CCS1 ZINC000353930117 1124061533 /nfs/dbraw/zinc/06/15/33/1124061533.db2.gz FMHGYFXQOGGDBM-CQSZACIVSA-N 0 1 271.376 3.538 20 0 CHADMN Cc1cccc(NC(=O)CN2CCC[C@@H](C(C)C)C2)c1C ZINC000444771832 1124062273 /nfs/dbraw/zinc/06/22/73/1124062273.db2.gz KVOJWJIVTOYXJP-MRXNPFEDSA-N 0 1 288.435 3.610 20 0 CHADMN Cc1cccc(-c2noc(CN3CCCC34CCC4)n2)c1 ZINC000444777953 1124063865 /nfs/dbraw/zinc/06/38/65/1124063865.db2.gz UNHRESBSNHOUTG-UHFFFAOYSA-N 0 1 283.375 3.564 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1CCCC12CCC2 ZINC000444787218 1124065327 /nfs/dbraw/zinc/06/53/27/1124065327.db2.gz QKTNAOFFPGNYGB-UHFFFAOYSA-N 0 1 292.810 3.605 20 0 CHADMN COCCOCCN1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444792486 1124065354 /nfs/dbraw/zinc/06/53/54/1124065354.db2.gz NMOBWNFKVOPLSX-MRXNPFEDSA-N 0 1 297.826 3.530 20 0 CHADMN CCCN(CCC)C(=O)CN[C@@H](C)c1cc(C)sc1C ZINC000195585707 1124066603 /nfs/dbraw/zinc/06/66/03/1124066603.db2.gz UUKUGFSLRVJXPE-ZDUSSCGKSA-N 0 1 296.480 3.664 20 0 CHADMN CC(C)(C)OCCN(Cc1ccccc1F)C1CC1 ZINC000195725039 1124066888 /nfs/dbraw/zinc/06/68/88/1124066888.db2.gz RGQFHGVKXMJYRK-UHFFFAOYSA-N 0 1 265.372 3.605 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1ccnc(F)c1 ZINC000866475400 1124069933 /nfs/dbraw/zinc/06/99/33/1124069933.db2.gz YEISDVCVUOTJFO-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN CC[C@H](NCc1ccnc(F)c1)c1ccsc1 ZINC000866473259 1124070299 /nfs/dbraw/zinc/07/02/99/1124070299.db2.gz CIUZJVZYFBAULM-LBPRGKRZSA-N 0 1 250.342 3.523 20 0 CHADMN CCC(CC)(CN[C@@H](C)c1cc(C)n(C)n1)C(F)(F)F ZINC000866506523 1124074380 /nfs/dbraw/zinc/07/43/80/1124074380.db2.gz LXPNYDZWKIKWFH-NSHDSACASA-N 0 1 291.361 3.748 20 0 CHADMN C[C@H](CSC(C)(C)C)NCc1noc2ccc(F)cc12 ZINC000866510383 1124075459 /nfs/dbraw/zinc/07/54/59/1124075459.db2.gz BMCOCTRVKDNFLE-SNVBAGLBSA-N 0 1 296.411 3.977 20 0 CHADMN Cc1ccc(CN[C@H](c2cccnc2)C2CCC2)o1 ZINC000631729776 1124080072 /nfs/dbraw/zinc/08/00/72/1124080072.db2.gz JKNPMXWAJLFWJU-INIZCTEOSA-N 0 1 256.349 3.614 20 0 CHADMN Fc1ccc([C@@H](NCCCCC2CC2)c2ncc[nH]2)cc1 ZINC000866541540 1124080026 /nfs/dbraw/zinc/08/00/26/1124080026.db2.gz OBCGLNFQNHXYQS-MRXNPFEDSA-N 0 1 287.382 3.808 20 0 CHADMN Cc1nc([C@H](C)NCCSCCC(F)(F)F)cs1 ZINC000866542186 1124081008 /nfs/dbraw/zinc/08/10/08/1124081008.db2.gz BFBZLAYSEXGVQS-QMMMGPOBSA-N 0 1 298.399 3.788 20 0 CHADMN CC(C)[C@@H](NCc1nn(C)cc1C(F)F)c1ccccc1 ZINC000866567581 1124083966 /nfs/dbraw/zinc/08/39/66/1124083966.db2.gz RGKYBVGHTKYYDY-OAHLLOKOSA-N 0 1 293.361 3.845 20 0 CHADMN CC(C)(O)C[N@@H+](Cc1c(Cl)oc2ccccc21)C1CC1 ZINC000428410843 1124092527 /nfs/dbraw/zinc/09/25/27/1124092527.db2.gz GGHCGFUFVKMBAN-UHFFFAOYSA-N 0 1 293.794 3.822 20 0 CHADMN CC(C)(O)CN(Cc1c(Cl)oc2ccccc21)C1CC1 ZINC000428410843 1124092530 /nfs/dbraw/zinc/09/25/30/1124092530.db2.gz GGHCGFUFVKMBAN-UHFFFAOYSA-N 0 1 293.794 3.822 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccc(C)cc2)on1 ZINC000339075852 1124096909 /nfs/dbraw/zinc/09/69/09/1124096909.db2.gz RDAMSXBHUFVYII-MRXNPFEDSA-N 0 1 256.349 3.629 20 0 CHADMN COc1cc(C)c(CN2CCc3ccncc3C2)c(C)c1C ZINC001138725345 1129166247 /nfs/dbraw/zinc/16/62/47/1129166247.db2.gz VYAIFJDGLHFCDM-UHFFFAOYSA-N 0 1 296.414 3.574 20 0 CHADMN C[C@@H](CC[N@H+]1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000086809769 1129166449 /nfs/dbraw/zinc/16/64/49/1129166449.db2.gz DRRSEKUAJYXALP-JKSUJKDBSA-N 0 1 289.419 3.757 20 0 CHADMN C[C@H](CC[N@H+]1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1 ZINC000086755235 1129166536 /nfs/dbraw/zinc/16/65/36/1129166536.db2.gz DAQNUCMJYFQILR-NVXWUHKLSA-N 0 1 289.419 3.900 20 0 CHADMN CCc1ccccc1NC(=O)CN1CCCCC(C)(C)C1 ZINC000446063417 1124108302 /nfs/dbraw/zinc/10/83/02/1124108302.db2.gz YHERKVSGBGFACP-UHFFFAOYSA-N 0 1 288.435 3.700 20 0 CHADMN CCCc1nc(C)c(CN2C[C@@H](C)C[C@H]2c2cccnc2)o1 ZINC000428430471 1124108371 /nfs/dbraw/zinc/10/83/71/1124108371.db2.gz MVRYOIMTTJDUOH-BBRMVZONSA-N 0 1 299.418 3.914 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@@]2(C)Cc2ccccc2)[nH]1 ZINC000428434836 1124110566 /nfs/dbraw/zinc/11/05/66/1124110566.db2.gz XIMPBXUZFRUILV-SFHVURJKSA-N 0 1 298.434 3.525 20 0 CHADMN Fc1ccc2oc(CN[C@H]3CCCC(F)(F)C3)nc2c1 ZINC000634969326 1129167226 /nfs/dbraw/zinc/16/72/26/1129167226.db2.gz LKRZAORWYCNEGT-JTQLQIEISA-N 0 1 284.281 3.634 20 0 CHADMN CC[C@H]1CCN(CC(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000446712449 1124118817 /nfs/dbraw/zinc/11/88/17/1124118817.db2.gz RMSIQHDHEAKJKU-AWEZNQCLSA-N 0 1 288.435 3.655 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CCC[C@@H](C)C3)n2)cc1 ZINC000525241316 1124119209 /nfs/dbraw/zinc/11/92/09/1124119209.db2.gz QTLZFTWQNWMGDO-OCCSQVGLSA-N 0 1 298.390 3.545 20 0 CHADMN CC(C)c1ccc(-c2noc(CNC3(C4CC4)CC3)n2)cc1 ZINC000544415354 1124120192 /nfs/dbraw/zinc/12/01/92/1124120192.db2.gz OOPHXVGSSLYJDG-UHFFFAOYSA-N 0 1 297.402 3.892 20 0 CHADMN COC[C@@H](NCc1cccc2ncccc12)c1ccc(C)o1 ZINC000634966568 1129167384 /nfs/dbraw/zinc/16/73/84/1129167384.db2.gz RDFIULBPTUYTDS-QGZVFWFLSA-N 0 1 296.370 3.614 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H](c1cccs1)C1CC1 ZINC000446747411 1124120766 /nfs/dbraw/zinc/12/07/66/1124120766.db2.gz DGGPZNZSVCYZDU-ABAIWWIYSA-N 0 1 273.405 3.648 20 0 CHADMN C=Cn1cc(CN2[C@H](C)c3ccc(OC)cc3C[C@@H]2C)cn1 ZINC000446757746 1124122172 /nfs/dbraw/zinc/12/21/72/1124122172.db2.gz CVXFVWKHNBAXFE-UONOGXRCSA-N 0 1 297.402 3.500 20 0 CHADMN CC[C@H]1[C@H](C)CCN1Cc1cnc(C(F)(F)F)s1 ZINC000446814051 1124122909 /nfs/dbraw/zinc/12/29/09/1124122909.db2.gz USNNEJBXFWLGFH-SCZZXKLOSA-N 0 1 278.343 3.782 20 0 CHADMN CCc1ccc(CN(C)[C@H](C)c2cnc(C)cn2)cc1 ZINC000428457589 1124126779 /nfs/dbraw/zinc/12/67/79/1124126779.db2.gz ACQAVQMGVLARKQ-CQSZACIVSA-N 0 1 269.392 3.540 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2csc(Cc3ccccc3)n2)C1 ZINC000525407672 1124126789 /nfs/dbraw/zinc/12/67/89/1124126789.db2.gz DYQOXSAHJANAFI-KBPBESRZSA-N 0 1 286.444 3.964 20 0 CHADMN Cc1cc(CN(C)Cc2cccc3ccccc32)ncn1 ZINC000428458916 1124127419 /nfs/dbraw/zinc/12/74/19/1124127419.db2.gz DEMAMOVVGMTKLO-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Fc1ccccc1CCN(Cc1ccon1)C1CCCC1 ZINC000525422713 1124128010 /nfs/dbraw/zinc/12/80/10/1124128010.db2.gz KRALBKDBDIPBMP-UHFFFAOYSA-N 0 1 288.366 3.801 20 0 CHADMN CC(C)c1nc(CN(C)[C@H](C)c2ccccc2Cl)n[nH]1 ZINC000428459012 1124129079 /nfs/dbraw/zinc/12/90/79/1124129079.db2.gz MCDTVNNNMGQIPC-LLVKDONJSA-N 0 1 292.814 3.775 20 0 CHADMN CC(C)(CNCc1ccon1)Cc1cccc(Cl)c1 ZINC000634968514 1129167796 /nfs/dbraw/zinc/16/77/96/1129167796.db2.gz QIPYMVXWSZFTQI-UHFFFAOYSA-N 0 1 278.783 3.687 20 0 CHADMN CC(C)O[C@@H](CN1C[C@@H](C)OC(C)(C)C1)c1ccccc1 ZINC000428465621 1124130926 /nfs/dbraw/zinc/13/09/26/1124130926.db2.gz SNVBUBXFNJOUBO-WBVHZDCISA-N 0 1 291.435 3.652 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1C[C@H](OC(C)C)c1ccccc1 ZINC000428467530 1124132000 /nfs/dbraw/zinc/13/20/00/1124132000.db2.gz ZWHADLBRAWQJAM-JQHSSLGASA-N 0 1 291.435 3.652 20 0 CHADMN CCOc1cncc(CNC(C)(C)c2ccccc2F)c1 ZINC000621356049 1129171024 /nfs/dbraw/zinc/17/10/24/1129171024.db2.gz ATWXLDOGBGQTGC-UHFFFAOYSA-N 0 1 288.366 3.644 20 0 CHADMN CCCc1ccc(CNCc2cnc(CCC)o2)s1 ZINC000621359318 1129172153 /nfs/dbraw/zinc/17/21/53/1129172153.db2.gz CLVJFWAWHDADFN-UHFFFAOYSA-N 0 1 278.421 3.931 20 0 CHADMN FC(F)[C@H](NCCC[C@@H]1CCOC1)C1CCCCC1 ZINC000621401015 1129172824 /nfs/dbraw/zinc/17/28/24/1129172824.db2.gz ZEMUUQGYYMHMEA-TZMCWYRMSA-N 0 1 275.383 3.607 20 0 CHADMN CC[C@H](C(=O)NOCc1ccc(F)cc1)c1ccccc1 ZINC000184215031 1129178748 /nfs/dbraw/zinc/17/87/48/1129178748.db2.gz DXPDNHFOUHZAIG-INIZCTEOSA-N 0 1 287.334 3.567 20 0 CHADMN c1ccc(COc2ncccc2CN2CCC[C@@H]3C[C@@H]32)cc1 ZINC001238775334 1131244348 /nfs/dbraw/zinc/24/43/48/1131244348.db2.gz AFHOWDVIDBRPIL-AEFFLSMTSA-N 0 1 294.398 3.645 20 0 CHADMN Cc1cc(F)cc(CN2CCCC[C@](C)(O)C2)c1Cl ZINC001238775684 1131244381 /nfs/dbraw/zinc/24/43/81/1131244381.db2.gz CULFUXZCPWWALW-HNNXBMFYSA-N 0 1 285.790 3.524 20 0 CHADMN COC[C@@H]1CCCCN1Cc1cc(F)cc(C)c1Cl ZINC001238777767 1131244580 /nfs/dbraw/zinc/24/45/80/1131244580.db2.gz PVENJSUDUGKYCX-AWEZNQCLSA-N 0 1 285.790 3.788 20 0 CHADMN COC1(C)CCN(Cc2c(C)cc(F)cc2Cl)CC1 ZINC001238781852 1131246515 /nfs/dbraw/zinc/24/65/15/1131246515.db2.gz WFOIXEWBUHRJFQ-UHFFFAOYSA-N 0 1 285.790 3.788 20 0 CHADMN CC(C)Oc1cc(CN2CCC[C@H](C)CC2)c(F)cn1 ZINC001238794288 1131249609 /nfs/dbraw/zinc/24/96/09/1131249609.db2.gz OTVNNQHNQPWTLF-ZDUSSCGKSA-N 0 1 280.387 3.630 20 0 CHADMN CC(C)Oc1cc(CN2CC[C@@H](C)C[C@H]2C)c(F)cn1 ZINC001238801828 1131250114 /nfs/dbraw/zinc/25/01/14/1131250114.db2.gz HUGMVPREDFPHJO-CHWSQXEVSA-N 0 1 280.387 3.628 20 0 CHADMN Clc1cccc2c1C[C@H](N1CCc3ncccc3C1)CC2 ZINC001170933736 1131259184 /nfs/dbraw/zinc/25/91/84/1131259184.db2.gz KLKKZDRMEWFXKI-OAHLLOKOSA-N 0 1 298.817 3.651 20 0 CHADMN C[C@H]1CCCN(Cc2cc(Cl)c3c(c2)OCCO3)[C@H]1C ZINC000525634315 1124451339 /nfs/dbraw/zinc/45/13/39/1124451339.db2.gz NJLMCNPFUWDCFQ-RYUDHWBXSA-N 0 1 295.810 3.732 20 0 CHADMN Clc1sccc1-c1cnc([C@@H]2CCCCN2)nc1 ZINC001119621914 1131261021 /nfs/dbraw/zinc/26/10/21/1131261021.db2.gz VWIVDFQXLBCLHU-NSHDSACASA-N 0 1 279.796 3.673 20 0 CHADMN COc1cccc(F)c1[C@@H](C)NCc1ccc2nc[nH]c2c1 ZINC000525695974 1124455864 /nfs/dbraw/zinc/45/58/64/1124455864.db2.gz VPXYQLQRXWCGIB-LLVKDONJSA-N 0 1 299.349 3.561 20 0 CHADMN C[C@H](N[C@@H]1CO[C@@H](C)[C@@H]1C)c1nc(C(C)(C)C)cs1 ZINC001119690049 1131262047 /nfs/dbraw/zinc/26/20/47/1131262047.db2.gz WKGNUWDUDJZRSJ-FIQHERPVSA-N 0 1 282.453 3.515 20 0 CHADMN COC(=O)c1coc([C@H](C)NCc2ccc(C3CC3)cc2)c1 ZINC000447596447 1124495321 /nfs/dbraw/zinc/49/53/21/1124495321.db2.gz CKPNHOLFTODSOP-LBPRGKRZSA-N 0 1 299.370 3.794 20 0 CHADMN CCc1ccc([C@H](CO)N[C@H](C)c2cc(C)oc2C)cc1 ZINC000447576655 1124496514 /nfs/dbraw/zinc/49/65/14/1124496514.db2.gz ZGEKYTMNVNUZNN-ACJLOTCBSA-N 0 1 287.403 3.843 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(C)c(Cl)c2)n1 ZINC000447725351 1124510857 /nfs/dbraw/zinc/51/08/57/1124510857.db2.gz BUBZMYNHCXSRGB-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CC[C@H]1C[C@H](C)CN1Cc1cnc(C(F)(F)F)s1 ZINC000447748348 1124521140 /nfs/dbraw/zinc/52/11/40/1124521140.db2.gz XIVZEBHICRQTAS-IUCAKERBSA-N 0 1 278.343 3.782 20 0 CHADMN CO[C@@H](C)CNCc1csc(-c2ccc(Cl)cc2)n1 ZINC000526947861 1124526701 /nfs/dbraw/zinc/52/67/01/1124526701.db2.gz WAYHUXPANPHNHR-JTQLQIEISA-N 0 1 296.823 3.588 20 0 CHADMN CCc1cccc(F)c1CNCc1c(C)nn(CC)c1C ZINC000526978335 1124531582 /nfs/dbraw/zinc/53/15/82/1124531582.db2.gz PEAPOBARVMPMOK-UHFFFAOYSA-N 0 1 289.398 3.511 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2ccn(-c3ccccc3F)n2)C1 ZINC000527074484 1124548734 /nfs/dbraw/zinc/54/87/34/1124548734.db2.gz DPKIGAZQTYXOSC-KBPBESRZSA-N 0 1 287.382 3.632 20 0 CHADMN C[C@H]1c2cccn2CCN1CCCCOc1ccccc1 ZINC000527106422 1124552564 /nfs/dbraw/zinc/55/25/64/1124552564.db2.gz PDMHWEFGENIOSI-INIZCTEOSA-N 0 1 284.403 3.724 20 0 CHADMN C[C@@H]1c2cccn2CCN1CCCCOc1ccccc1 ZINC000527106423 1124552801 /nfs/dbraw/zinc/55/28/01/1124552801.db2.gz PDMHWEFGENIOSI-MRXNPFEDSA-N 0 1 284.403 3.724 20 0 CHADMN Cc1noc(C)c1CCCNc1cc[nH+]c2c([O-])cccc12 ZINC000795112064 1124560580 /nfs/dbraw/zinc/56/05/80/1124560580.db2.gz VEJIDYIVXZJLAC-UHFFFAOYSA-N 0 1 297.358 3.590 20 0 CHADMN CCCc1nc(C)c(NCc2ccc3nc[nH]c3c2)s1 ZINC000527282606 1124563327 /nfs/dbraw/zinc/56/33/27/1124563327.db2.gz JYMCHDHZTHXNFI-UHFFFAOYSA-N 0 1 286.404 3.892 20 0 CHADMN Cc1cc(-c2cccc3cncn32)cnc1OCC(C)C ZINC001238923246 1131270224 /nfs/dbraw/zinc/27/02/24/1131270224.db2.gz DKFDWMSOGRCZCL-UHFFFAOYSA-N 0 1 281.359 3.740 20 0 CHADMN Cc1cc(-c2nnc(CN(C)C3CC(C)(C)C3)o2)c(C)o1 ZINC000448557434 1124586266 /nfs/dbraw/zinc/58/62/66/1124586266.db2.gz ULQKENQQOFWNFS-UHFFFAOYSA-N 0 1 289.379 3.567 20 0 CHADMN COC[C@H](NCc1ccc(CC(C)C)nc1)c1ccccc1 ZINC001120025335 1131270676 /nfs/dbraw/zinc/27/06/76/1131270676.db2.gz OMPAWTYGOOLNJX-IBGZPJMESA-N 0 1 298.430 3.757 20 0 CHADMN CC(C)(C(=O)NOC/C=C\c1ccccc1)c1ccccc1 ZINC000208844457 1124607420 /nfs/dbraw/zinc/60/74/20/1124607420.db2.gz CUGDCIICUOHXOR-XFXZXTDPSA-N 0 1 295.382 3.725 20 0 CHADMN CCN(Cc1cnc(CCc2ccccc2)s1)C1CC1 ZINC000449007957 1124631757 /nfs/dbraw/zinc/63/17/57/1124631757.db2.gz BJQKCVREIIXNCS-UHFFFAOYSA-N 0 1 286.444 3.913 20 0 CHADMN Cc1cc(CN2CCO[C@]3(CCc4ccccc43)C2)cs1 ZINC000449025488 1124633365 /nfs/dbraw/zinc/63/33/65/1124633365.db2.gz CFWHKBKYAXWBCM-GOSISDBHSA-N 0 1 299.439 3.730 20 0 CHADMN C[C@@H](COc1ccccc1-c1nnc[nH]1)C(C)(C)C ZINC000871737321 1124635056 /nfs/dbraw/zinc/63/50/56/1124635056.db2.gz NFYLORCBCIUQLF-NSHDSACASA-N 0 1 259.353 3.533 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1ccnn1C1CCCC1 ZINC000449097824 1124646609 /nfs/dbraw/zinc/64/66/09/1124646609.db2.gz NPQXHVCLFLVVSD-GOSISDBHSA-N 0 1 299.393 3.914 20 0 CHADMN COc1cc(CNCc2c(C)noc2C)cc2ccccc21 ZINC000449100636 1124648131 /nfs/dbraw/zinc/64/81/31/1124648131.db2.gz WYTKYAANZGVGMP-UHFFFAOYSA-N 0 1 296.370 3.743 20 0 CHADMN CC(=O)Nc1ccccc1CNc1ccc2c(n1)CCCC2 ZINC000871865720 1124648687 /nfs/dbraw/zinc/64/86/87/1124648687.db2.gz OQRBTKOPKDCELH-UHFFFAOYSA-N 0 1 295.386 3.531 20 0 CHADMN CO[C@H](C)CN(Cc1nc2cc(C)ccc2s1)C(C)C ZINC000528386186 1124650204 /nfs/dbraw/zinc/65/02/04/1124650204.db2.gz HNHNRWPGPUNTFL-CYBMUJFWSA-N 0 1 292.448 3.850 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN1CCCC[C@@](C)(F)C1 ZINC001142162830 1124653883 /nfs/dbraw/zinc/65/38/83/1124653883.db2.gz BZRXFKZDFIHDKJ-QGZVFWFLSA-N 0 1 295.446 3.969 20 0 CHADMN CC1(C)CC[C@H]2C(=O)N(c3cccc4ncccc43)N=C2C1 ZINC000871945557 1124654817 /nfs/dbraw/zinc/65/48/17/1124654817.db2.gz RJHKOPAKGKKTDG-CYBMUJFWSA-N 0 1 293.370 3.764 20 0 CHADMN CC1(C)CCc2c([nH]n(-c3cccc4ncccc43)c2=O)C1 ZINC000871945557 1124654820 /nfs/dbraw/zinc/65/48/20/1124654820.db2.gz RJHKOPAKGKKTDG-CYBMUJFWSA-N 0 1 293.370 3.764 20 0 CHADMN CC(C)CCc1cc(=O)n(Cc2cnc3ccccc3c2)[nH]1 ZINC000871958511 1124654827 /nfs/dbraw/zinc/65/48/27/1124654827.db2.gz HQABUKLENMOZNA-UHFFFAOYSA-N 0 1 295.386 3.759 20 0 CHADMN C/C(Cl)=C\CN1CCN(C/C=C(\C)Cl)C(C)(C)C1 ZINC000528416468 1124658503 /nfs/dbraw/zinc/65/85/03/1124658503.db2.gz NBBPWUNESXIEMQ-BYDSPXIWSA-N 0 1 291.266 3.668 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cc(O)ccc2F)s1 ZINC000872025173 1124659483 /nfs/dbraw/zinc/65/94/83/1124659483.db2.gz HTANDGSDRYUTPJ-SNVBAGLBSA-N 0 1 265.353 3.752 20 0 CHADMN Clc1cccc2c1C[C@@H](N1CCc3occc3C1)CC2 ZINC001170943618 1131275756 /nfs/dbraw/zinc/27/57/56/1131275756.db2.gz MDQTVCXEGABYRW-AWEZNQCLSA-N 0 1 287.790 3.849 20 0 CHADMN C/C(Cl)=C\CN1CCC[C@]2(C1)OCc1ccccc12 ZINC000528459731 1124669655 /nfs/dbraw/zinc/66/96/55/1124669655.db2.gz UNRCJFXLLCNVQK-ROCHPLJESA-N 0 1 277.795 3.651 20 0 CHADMN C/C(Cl)=C/CN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000528459729 1124669733 /nfs/dbraw/zinc/66/97/33/1124669733.db2.gz UNRCJFXLLCNVQK-DJXGBFBFSA-N 0 1 277.795 3.651 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2ncccc2Cl)C1 ZINC000528474557 1124674870 /nfs/dbraw/zinc/67/48/70/1124674870.db2.gz PRJUCZHYGTXGKV-GFCCVEGCSA-N 0 1 252.789 3.603 20 0 CHADMN Fc1cnccc1CN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000449233150 1124674906 /nfs/dbraw/zinc/67/49/06/1124674906.db2.gz XLLXMOGDPFXKNK-XZVRFQMRSA-N 0 1 282.362 3.899 20 0 CHADMN C/C(Cl)=C\CN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000528475190 1124675748 /nfs/dbraw/zinc/67/57/48/1124675748.db2.gz QHLWNGRNCLGPNR-VGANXODHSA-N 0 1 255.711 3.792 20 0 CHADMN c1c2cccnc2oc1CN1Cc2ccccc2C2(CC2)C1 ZINC000449254939 1124676164 /nfs/dbraw/zinc/67/61/64/1124676164.db2.gz AIFIATFJMPXXBR-UHFFFAOYSA-N 0 1 290.366 3.875 20 0 CHADMN CCC1(CC)CCN(Cc2ccncc2F)CC1 ZINC000449255484 1124676654 /nfs/dbraw/zinc/67/66/54/1124676654.db2.gz DQCRYQMATDMTCP-UHFFFAOYSA-N 0 1 250.361 3.623 20 0 CHADMN COc1cc(C)ccc1CNCc1cscc1C ZINC000449288045 1124680831 /nfs/dbraw/zinc/68/08/31/1124680831.db2.gz MFMVDSDOXBRSJM-UHFFFAOYSA-N 0 1 261.390 3.663 20 0 CHADMN C[C@H](CSC(C)(C)C)NCc1ncc(Cl)s1 ZINC000872116837 1124688542 /nfs/dbraw/zinc/68/85/42/1124688542.db2.gz VOMXBLLBYICHIU-MRVPVSSYSA-N 0 1 278.874 3.806 20 0 CHADMN CN(Cc1ncccc1Cl)C[C@@H]1CCc2ccccc21 ZINC000528560888 1124689026 /nfs/dbraw/zinc/68/90/26/1124689026.db2.gz OEVFUIQMBPEWQE-AWEZNQCLSA-N 0 1 286.806 3.897 20 0 CHADMN C[C@H](Cc1ccoc1)N[C@H]1COc2cccc(Cl)c21 ZINC000449328762 1124689853 /nfs/dbraw/zinc/68/98/53/1124689853.db2.gz KZWHZMHJZLLWCU-MFKMUULPSA-N 0 1 277.751 3.587 20 0 CHADMN Cc1cc2c(c(C)c1)[C@@H](N[C@H](C)c1nccnc1C)CC2 ZINC000872129759 1124690571 /nfs/dbraw/zinc/69/05/71/1124690571.db2.gz BJGFKGPIFYULLJ-ZBFHGGJFSA-N 0 1 281.403 3.740 20 0 CHADMN CC(C)[N@@H+](Cc1cc2cccnc2o1)Cc1cccnc1 ZINC000449329899 1124690652 /nfs/dbraw/zinc/69/06/52/1124690652.db2.gz JWKBIBCPCDFERY-UHFFFAOYSA-N 0 1 281.359 3.633 20 0 CHADMN CC(C)N(Cc1cc2cccnc2o1)Cc1cccnc1 ZINC000449329899 1124690657 /nfs/dbraw/zinc/69/06/57/1124690657.db2.gz JWKBIBCPCDFERY-UHFFFAOYSA-N 0 1 281.359 3.633 20 0 CHADMN CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc2cccnc2o1 ZINC000449330839 1124691185 /nfs/dbraw/zinc/69/11/85/1124691185.db2.gz MGELERCJOXBRQG-INIZCTEOSA-N 0 1 281.359 3.806 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@H]2N[C@H](C)c1nccnc1C ZINC000872132091 1124691764 /nfs/dbraw/zinc/69/17/64/1124691764.db2.gz BXWKFZGPJZITOY-XNRPHZJLSA-N 0 1 281.403 3.993 20 0 CHADMN Cc1csc([C@H](C)NC2CC(Nc3ccccc3)C2)n1 ZINC000872134336 1124692754 /nfs/dbraw/zinc/69/27/54/1124692754.db2.gz RLTIVQNXNLASRJ-GRTSSRMGSA-N 0 1 287.432 3.745 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1nccnc1C)c1ccc(OC)cc1 ZINC000872135969 1124694098 /nfs/dbraw/zinc/69/40/98/1124694098.db2.gz ZBUGIFQZHDHPLR-WMLDXEAASA-N 0 1 299.418 3.986 20 0 CHADMN COCCC1CCN(Cc2sccc2Cl)CC1 ZINC000528577546 1124695033 /nfs/dbraw/zinc/69/50/33/1124695033.db2.gz ONYWXJQGOUTJRS-UHFFFAOYSA-N 0 1 273.829 3.650 20 0 CHADMN CCc1nocc1CN[C@@H]1CCCc2c(F)cccc21 ZINC000449349859 1124696923 /nfs/dbraw/zinc/69/69/23/1124696923.db2.gz KNMOYMXMIBGPDC-MRXNPFEDSA-N 0 1 274.339 3.543 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000872158628 1124697032 /nfs/dbraw/zinc/69/70/32/1124697032.db2.gz HGLYGVAOQCVORN-SUNKGSAMSA-N 0 1 279.405 3.599 20 0 CHADMN Cc1c(Cl)ccc2c1C[N@@H+]([C@H](CC(C)C)C(=O)[O-])CC2 ZINC000872165913 1124697097 /nfs/dbraw/zinc/69/70/97/1124697097.db2.gz OIFFJHSBLBUEFV-OAHLLOKOSA-N 0 1 295.810 3.506 20 0 CHADMN C[C@@H](C[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-])CC(C)(C)C ZINC000872161305 1124697110 /nfs/dbraw/zinc/69/71/10/1124697110.db2.gz WSSQEKGCUUQEDD-CZUORRHYSA-N 0 1 289.419 3.743 20 0 CHADMN Cc1ccc(C[C@]2(C)CCC[N@H+]2CCCCC(=O)[O-])cc1 ZINC000872162958 1124697313 /nfs/dbraw/zinc/69/73/13/1124697313.db2.gz QEGFKAAIJKOEMH-SFHVURJKSA-N 0 1 289.419 3.647 20 0 CHADMN Cc1ccc(C[N@@H+]2CCC[C@@H](C(C)C)CC2)cc1C(=O)[O-] ZINC000872159520 1124697331 /nfs/dbraw/zinc/69/73/31/1124697331.db2.gz VJHFKZPMTNRRBU-MRXNPFEDSA-N 0 1 289.419 3.951 20 0 CHADMN CC(C)n1cc(CN[C@H]2CCCc3c(F)cccc32)cn1 ZINC000449352174 1124697822 /nfs/dbraw/zinc/69/78/22/1124697822.db2.gz SQYOWXRFONASHV-KRWDZBQOSA-N 0 1 287.382 3.770 20 0 CHADMN CC[C@H](CSC)N(C)Cc1ccnn1C1CCCC1 ZINC000449335056 1124699008 /nfs/dbraw/zinc/69/90/08/1124699008.db2.gz YKYUFTGSNSTKSN-CYBMUJFWSA-N 0 1 281.469 3.572 20 0 CHADMN Fc1cccc(CN2CCC[C@H](OC3CCC3)CC2)c1F ZINC000872261233 1124699908 /nfs/dbraw/zinc/69/99/08/1124699908.db2.gz AEVKZTKQZZWQSH-HNNXBMFYSA-N 0 1 295.373 3.888 20 0 CHADMN CC1(F)CC(NCc2cc(F)ccc2Br)C1 ZINC000449371441 1124702098 /nfs/dbraw/zinc/70/20/98/1124702098.db2.gz UXHAAMYIQJUSNH-UHFFFAOYSA-N 0 1 290.151 3.568 20 0 CHADMN Cc1cc([C@@H](C)NCc2nc3ccccc3n2C)ccc1F ZINC000449374194 1124706205 /nfs/dbraw/zinc/70/62/05/1124706205.db2.gz XXGOSJJLENSMES-CYBMUJFWSA-N 0 1 297.377 3.872 20 0 CHADMN Cc1ccc(CN(C)Cc2c[nH]c3c2cccc3F)cn1 ZINC001137059054 1124709477 /nfs/dbraw/zinc/70/94/77/1124709477.db2.gz KMYDLQGADUBPKY-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN Cc1ccc(CN(Cc2ccn(C)n2)C(C)(C)C)cc1 ZINC000528591790 1124710039 /nfs/dbraw/zinc/71/00/39/1124710039.db2.gz KGYOZNVRVZBIAG-UHFFFAOYSA-N 0 1 271.408 3.529 20 0 CHADMN CC(C)(C)SCCNCc1nc2cc(F)ccc2o1 ZINC000873042135 1124735112 /nfs/dbraw/zinc/73/51/12/1124735112.db2.gz MRAXHJVPXUVXHN-UHFFFAOYSA-N 0 1 282.384 3.588 20 0 CHADMN CCOc1cccc(F)c1CNCC1(C(F)(F)F)CC1 ZINC000873124804 1124740294 /nfs/dbraw/zinc/74/02/94/1124740294.db2.gz IYYVHAHWXJNERH-UHFFFAOYSA-N 0 1 291.288 3.657 20 0 CHADMN Fc1ccc(CNCc2ccc(C(F)(F)F)s2)cn1 ZINC000873154155 1124742922 /nfs/dbraw/zinc/74/29/22/1124742922.db2.gz BPUPOJXQQWXYSG-UHFFFAOYSA-N 0 1 290.285 3.591 20 0 CHADMN COc1ccc(C(C)(C)NCc2ncccc2C)cc1F ZINC000528676273 1124743286 /nfs/dbraw/zinc/74/32/86/1124743286.db2.gz QSJRPOJZDWDPSJ-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN Cc1sccc1CN(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000449449063 1124743731 /nfs/dbraw/zinc/74/37/31/1124743731.db2.gz BOMBXETWRQLSFT-OAHLLOKOSA-N 0 1 295.835 3.875 20 0 CHADMN CC(C)(C)Oc1cccc(CNCc2ccc(F)nc2)c1 ZINC000873162948 1124745310 /nfs/dbraw/zinc/74/53/10/1124745310.db2.gz JPUPMFURAYYDHH-UHFFFAOYSA-N 0 1 288.366 3.688 20 0 CHADMN CCCCOc1ccc(CN[C@H](C)c2nccnc2C)cc1 ZINC000873189949 1124749121 /nfs/dbraw/zinc/74/91/21/1124749121.db2.gz USHYAPXNDAYNNR-OAHLLOKOSA-N 0 1 299.418 3.815 20 0 CHADMN CC1(NCc2cccc(OC3CC3)c2F)CC(F)(F)C1 ZINC000873197542 1124750410 /nfs/dbraw/zinc/75/04/10/1124750410.db2.gz FQFLJLOFHRTTKU-UHFFFAOYSA-N 0 1 285.309 3.644 20 0 CHADMN CC(C)c1ccc([C@H](NCc2cnc(N)cn2)C(C)C)cc1 ZINC000873212711 1124753589 /nfs/dbraw/zinc/75/35/89/1124753589.db2.gz QNDRQFGSDPJDEH-GOSISDBHSA-N 0 1 298.434 3.669 20 0 CHADMN CCN(C(=O)c1ncccc1O)c1ccc2ccccc2c1 ZINC000124458660 1124758042 /nfs/dbraw/zinc/75/80/42/1124758042.db2.gz OXJKBRNEFPRHQS-UHFFFAOYSA-N 0 1 292.338 3.607 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1ccc(N2CCCC2)o1 ZINC001137070012 1124758112 /nfs/dbraw/zinc/75/81/12/1124758112.db2.gz WXTOZBKSTBWBLN-HNNXBMFYSA-N 0 1 296.414 3.827 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1cc(N)cc(F)c1 ZINC000873287781 1124760788 /nfs/dbraw/zinc/76/07/88/1124760788.db2.gz KOXLLXADAJOCFX-GFCCVEGCSA-N 0 1 288.366 3.657 20 0 CHADMN CC(=O)c1c(Cl)cccc1N[C@@H](C)Cc1cc(C)n[nH]1 ZINC001120910804 1131286286 /nfs/dbraw/zinc/28/62/86/1131286286.db2.gz QDPGBKOSVOVBPZ-VIFPVBQESA-N 0 1 291.782 3.617 20 0 CHADMN CC(=O)c1c(Cl)cccc1N[C@H](C)Cc1cc(C)n[nH]1 ZINC001120910800 1131286470 /nfs/dbraw/zinc/28/64/70/1131286470.db2.gz QDPGBKOSVOVBPZ-SECBINFHSA-N 0 1 291.782 3.617 20 0 CHADMN COc1cc(SC)c(-c2nc(C)cc3[nH]ccc32)cn1 ZINC001239050984 1131295187 /nfs/dbraw/zinc/29/51/87/1131295187.db2.gz LVYFAPHILLTQMA-UHFFFAOYSA-N 0 1 285.372 3.664 20 0 CHADMN CN1CCN(c2ccc(-c3coc4ccccc34)cc2)CC1 ZINC001239062438 1131297355 /nfs/dbraw/zinc/29/73/55/1131297355.db2.gz WBOPXOKDGWURFP-UHFFFAOYSA-N 0 1 292.382 3.852 20 0 CHADMN C[C@H](NC(=O)c1ccc(Cl)c(O)c1)c1ccsc1 ZINC001626164442 1131300166 /nfs/dbraw/zinc/30/01/66/1131300166.db2.gz QDEGPOPNVUEEAI-QMMMGPOBSA-N 0 1 281.764 3.598 20 0 CHADMN CCOC(=O)c1nc2ccc(-c3ccn(C(C)C)c3)cc2[nH]1 ZINC001239078273 1131300817 /nfs/dbraw/zinc/30/08/17/1131300817.db2.gz KJWHCBBQBRZCAX-UHFFFAOYSA-N 0 1 297.358 3.789 20 0 CHADMN CCCn1cc(CN2CC(c3ccc(Cl)cc3)C2)cn1 ZINC000449557774 1124801316 /nfs/dbraw/zinc/80/13/16/1124801316.db2.gz TXLJKDVSOUUMOE-UHFFFAOYSA-N 0 1 289.810 3.546 20 0 CHADMN FC(F)(F)c1cccc(C2CN(Cc3ccccn3)C2)c1 ZINC000449663838 1124834260 /nfs/dbraw/zinc/83/42/60/1124834260.db2.gz KGEMFBPCNHVCEK-UHFFFAOYSA-N 0 1 292.304 3.700 20 0 CHADMN FC(F)[C@H](CCc1ccccc1)NCCC[C@H]1CCOC1 ZINC000449684871 1124838427 /nfs/dbraw/zinc/83/84/27/1124838427.db2.gz QMJPHBVQCWLRTH-HOTGVXAUSA-N 0 1 297.389 3.659 20 0 CHADMN CCCC[C@H](CC)COCCCNc1cc(N)c(F)cn1 ZINC001168111946 1124844324 /nfs/dbraw/zinc/84/43/24/1124844324.db2.gz JERUHDVDHUSKOR-ZDUSSCGKSA-N 0 1 297.418 3.838 20 0 CHADMN CC(C)(c1ccccc1)C1(NCc2cscn2)CC1 ZINC000449716691 1124845439 /nfs/dbraw/zinc/84/54/39/1124845439.db2.gz GYMVZNKZZJBPKN-UHFFFAOYSA-N 0 1 272.417 3.743 20 0 CHADMN CCn1cc(CN2CCC[C@@H]2c2ccc(F)cc2C)cn1 ZINC000449731844 1124850110 /nfs/dbraw/zinc/85/01/10/1124850110.db2.gz JRVSVKMQCMQANO-QGZVFWFLSA-N 0 1 287.382 3.688 20 0 CHADMN C=Cn1cc(CN2CCC[C@H]2c2ccc(F)cc2C)cn1 ZINC000449734556 1124853464 /nfs/dbraw/zinc/85/34/64/1124853464.db2.gz RWPGLJWSUWGRDG-KRWDZBQOSA-N 0 1 285.366 3.768 20 0 CHADMN Cc1cc(C)c(CNCc2ccccc2OCC2CC2)cn1 ZINC000449735675 1124855959 /nfs/dbraw/zinc/85/59/59/1124855959.db2.gz RWKAHDMJZBYHGH-UHFFFAOYSA-N 0 1 296.414 3.777 20 0 CHADMN COC[C@@H]1CCCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000449768681 1124866430 /nfs/dbraw/zinc/86/64/30/1124866430.db2.gz ASAULUVZDYADIQ-CYBMUJFWSA-N 0 1 296.480 3.689 20 0 CHADMN COc1cc2c(cc1CN[C@@H](C)c1cccc(C)c1)OCO2 ZINC000449774258 1124868025 /nfs/dbraw/zinc/86/80/25/1124868025.db2.gz KFVIDJSMLMBCPE-ZDUSSCGKSA-N 0 1 299.370 3.583 20 0 CHADMN CC(C)N(Cc1nccn1C(F)F)C1CC(C)(C)C1 ZINC000449781675 1124870438 /nfs/dbraw/zinc/87/04/38/1124870438.db2.gz JCIPNXYPKBYHBA-UHFFFAOYSA-N 0 1 271.355 3.677 20 0 CHADMN OCCC[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000449791160 1124872698 /nfs/dbraw/zinc/87/26/98/1124872698.db2.gz NVWXDRDBCSOJLX-LLVKDONJSA-N 0 1 288.218 3.588 20 0 CHADMN OCCC[C@H]1CCN(Cc2c(Cl)cccc2Cl)C1 ZINC000449787928 1124873137 /nfs/dbraw/zinc/87/31/37/1124873137.db2.gz CNRQFJBMLGUJCT-NSHDSACASA-N 0 1 288.218 3.588 20 0 CHADMN Cc1csc(CN2CC3(CCCC3)[C@H]2C(C)C)n1 ZINC000449792989 1124874805 /nfs/dbraw/zinc/87/48/05/1124874805.db2.gz VHDTXEVGSZEBKO-CQSZACIVSA-N 0 1 264.438 3.852 20 0 CHADMN O[C@@H](CN1CCC[C@@H]1c1ccc[nH]1)c1ccccc1Cl ZINC000125390713 1124886939 /nfs/dbraw/zinc/88/69/39/1124886939.db2.gz NPDMXKQDRWXWHS-CVEARBPZSA-N 0 1 290.794 3.539 20 0 CHADMN Cc1noc(C)c1CN(C)CCc1c(F)cccc1Cl ZINC000125565259 1124901145 /nfs/dbraw/zinc/90/11/45/1124901145.db2.gz DSPZHLUTQHXJOJ-UHFFFAOYSA-N 0 1 296.773 3.758 20 0 CHADMN CC(=O)[C@H](N[C@@H]1CCc2cccc(F)c2C1)c1ccccc1 ZINC001170958344 1131318355 /nfs/dbraw/zinc/31/83/55/1131318355.db2.gz VGXFYLJVKMLZGW-APWZRJJASA-N 0 1 297.373 3.603 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(Cl)nc2)c1C ZINC000125730964 1124922182 /nfs/dbraw/zinc/92/21/82/1124922182.db2.gz KEKHNGLTOKEOTG-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CC(C)CC(CC(C)C)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000450150337 1124933997 /nfs/dbraw/zinc/93/39/97/1124933997.db2.gz CVMCIEYAIFCOBF-OAHLLOKOSA-N 0 1 291.439 3.612 20 0 CHADMN CC(=O)c1cccc(CN(C)CCOc2cccc(C)c2)c1 ZINC000450227897 1124948192 /nfs/dbraw/zinc/94/81/92/1124948192.db2.gz AAMSPEWPDCIVNB-UHFFFAOYSA-N 0 1 297.398 3.708 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H]2CCCC23CC3)c1 ZINC000529409490 1124948444 /nfs/dbraw/zinc/94/84/44/1124948444.db2.gz HPBISHLLYIMPSV-LBPRGKRZSA-N 0 1 287.359 3.504 20 0 CHADMN CN(Cc1ccn(CCc2ccccc2)n1)C1CCCC1 ZINC000450230916 1124954033 /nfs/dbraw/zinc/95/40/33/1124954033.db2.gz ICCFPQLRKJZARQ-UHFFFAOYSA-N 0 1 283.419 3.500 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@H]3CCCC[C@@H]32)s1 ZINC000450232767 1124954097 /nfs/dbraw/zinc/95/40/97/1124954097.db2.gz MTJGXEJVXGVAQY-OLZOCXBDSA-N 0 1 279.453 3.816 20 0 CHADMN COC(=O)c1ccc(CN2CCCC[C@@H]2C)cc1Cl ZINC000450240651 1124956069 /nfs/dbraw/zinc/95/60/69/1124956069.db2.gz DVKVUCQAFZDLQY-NSHDSACASA-N 0 1 281.783 3.501 20 0 CHADMN CN(C)c1ccc(F)cc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000876513336 1124957197 /nfs/dbraw/zinc/95/71/97/1124957197.db2.gz KVCQFJFXIXLWGO-KRWDZBQOSA-N 0 1 287.382 3.557 20 0 CHADMN C[C@@H]1CN(Cc2cc3c(cc[nH]c3=O)o2)Cc2ccccc21 ZINC000876544051 1124958264 /nfs/dbraw/zinc/95/82/64/1124958264.db2.gz PLZWYJPCUZDZQX-GFCCVEGCSA-N 0 1 294.354 3.653 20 0 CHADMN COc1ccc(OC)c([C@H]2CCCN2Cc2ccco2)c1 ZINC000120631942 1124962018 /nfs/dbraw/zinc/96/20/18/1124962018.db2.gz LHIMTZXZLOOIKO-MRXNPFEDSA-N 0 1 287.359 3.634 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CCN1Cc1ccc(Cl)nn1 ZINC000876770963 1124976796 /nfs/dbraw/zinc/97/67/96/1124976796.db2.gz LDXHFRVWYGIWAW-SWLSCSKDSA-N 0 1 287.794 3.508 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1Cc1ccc(Cl)nn1 ZINC000876775272 1124977425 /nfs/dbraw/zinc/97/74/25/1124977425.db2.gz SFOQTNNFHXSCIG-DGCLKSJQSA-N 0 1 267.804 3.531 20 0 CHADMN CC(C)C[C@H]1CCCCN1Cc1ccc(Cl)nn1 ZINC000876765142 1124977952 /nfs/dbraw/zinc/97/79/52/1124977952.db2.gz TXIUSHMUMVTTSX-CYBMUJFWSA-N 0 1 267.804 3.531 20 0 CHADMN COc1ccc(CN(Cc2ccc(C)o2)C2CC2)cc1 ZINC000120771883 1124979018 /nfs/dbraw/zinc/97/90/18/1124979018.db2.gz PFZFRYQFLLOSNF-UHFFFAOYSA-N 0 1 271.360 3.761 20 0 CHADMN CN(C)Cc1ccc(NCc2nc(Cl)cs2)cc1F ZINC000876868751 1124985584 /nfs/dbraw/zinc/98/55/84/1124985584.db2.gz KLWSGUPPOWGVDS-UHFFFAOYSA-N 0 1 299.802 3.609 20 0 CHADMN Cc1nc2cc(N[C@H](C)C3CC(F)(F)C3)ccc2n1C ZINC000529541891 1124987510 /nfs/dbraw/zinc/98/75/10/1124987510.db2.gz MMUNHQJNFFAINO-SECBINFHSA-N 0 1 279.334 3.727 20 0 CHADMN Clc1csc(CNCCSc2ccccc2)n1 ZINC000876896358 1124987996 /nfs/dbraw/zinc/98/79/96/1124987996.db2.gz BCPLUPVBRYVWDS-UHFFFAOYSA-N 0 1 284.837 3.678 20 0 CHADMN COc1cnc(F)c(CN[C@@H](C)c2cc(C)sc2C)c1 ZINC000876914257 1124990343 /nfs/dbraw/zinc/99/03/43/1124990343.db2.gz OSRWSAFXSJTJCW-JTQLQIEISA-N 0 1 294.395 3.758 20 0 CHADMN Cc1ccccc1OCCCNCc1nc(Cl)cs1 ZINC000877015066 1124998078 /nfs/dbraw/zinc/99/80/78/1124998078.db2.gz YOOHRPGQXSRVBU-UHFFFAOYSA-N 0 1 296.823 3.664 20 0 CHADMN CC[C@](C)(NCc1cc(OC)cnc1F)c1ccccc1 ZINC000877046719 1125001153 /nfs/dbraw/zinc/00/11/53/1125001153.db2.gz RJUSWMSAZRJALZ-KRWDZBQOSA-N 0 1 288.366 3.644 20 0 CHADMN Fc1ccc(CN[C@H]2CCCc3c(F)cccc32)nc1 ZINC000529580725 1125001944 /nfs/dbraw/zinc/00/19/44/1125001944.db2.gz DJJNOUZSIRKXRA-INIZCTEOSA-N 0 1 274.314 3.527 20 0 CHADMN Cc1cccc(O[C@@H](C)CNCc2nc(Cl)cs2)c1 ZINC000877042932 1125002421 /nfs/dbraw/zinc/00/24/21/1125002421.db2.gz CGTIRIGQMYNAFW-NSHDSACASA-N 0 1 296.823 3.662 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H](C)N([C@H](C)c2csnn2)C1 ZINC000450420456 1125019476 /nfs/dbraw/zinc/01/94/76/1125019476.db2.gz KAUHLAZMCKBUSR-BFHYXJOUSA-N 0 1 287.432 3.786 20 0 CHADMN Cc1cccc([C@@H]2CCCCCN2Cc2cnns2)c1 ZINC000450418187 1125021049 /nfs/dbraw/zinc/02/10/49/1125021049.db2.gz LLFOZZHHKZFMMP-INIZCTEOSA-N 0 1 287.432 3.964 20 0 CHADMN Clc1csc(CNC2(Cc3ccccc3)CC2)n1 ZINC000877408877 1125027159 /nfs/dbraw/zinc/02/71/59/1125027159.db2.gz UDSDVTUIRPFBAC-UHFFFAOYSA-N 0 1 278.808 3.661 20 0 CHADMN FC1(F)CCCC[C@@H]1CN1CCOC[C@@H]1c1ccccc1 ZINC000450451186 1125032279 /nfs/dbraw/zinc/03/22/79/1125032279.db2.gz FDFPPNAAWXOBSU-HZPDHXFCSA-N 0 1 295.373 3.885 20 0 CHADMN CSc1ccc([C@H](C)NCc2ccc(Cl)nn2)cc1 ZINC000877497352 1125034744 /nfs/dbraw/zinc/03/47/44/1125034744.db2.gz OEJGQWXPRCNNNX-JTQLQIEISA-N 0 1 293.823 3.703 20 0 CHADMN COCc1cnc(CN(C)C[C@@H](C)C2CCCCC2)s1 ZINC000529675459 1125042766 /nfs/dbraw/zinc/04/27/66/1125042766.db2.gz UUPUXADBGZKILL-CYBMUJFWSA-N 0 1 296.480 3.938 20 0 CHADMN CCN(Cc1ccc(Cl)c(OC)c1)Cc1ccccn1 ZINC000450483971 1125044324 /nfs/dbraw/zinc/04/43/24/1125044324.db2.gz KVPMUBFZTMXZIB-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN COc1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1C(C)(C)C ZINC000877614657 1125054107 /nfs/dbraw/zinc/05/41/07/1125054107.db2.gz FUJPPXIPPURODF-OKILXGFUSA-N 0 1 295.373 3.690 20 0 CHADMN CC[C@@](C)(NCc1ccc(Cl)nn1)c1ccc(F)cc1 ZINC000877666111 1125061195 /nfs/dbraw/zinc/06/11/95/1125061195.db2.gz WPHGGJMLNUPQGP-OAHLLOKOSA-N 0 1 293.773 3.684 20 0 CHADMN COc1ccc2nc(SCCCCCC(C)=O)[nH]c2c1 ZINC000450581265 1125063090 /nfs/dbraw/zinc/06/30/90/1125063090.db2.gz OITLRRLHOLJKNW-UHFFFAOYSA-N 0 1 292.404 3.813 20 0 CHADMN CCSc1ccc([C@@H](C)NCc2cccnc2N)cc1 ZINC000450671174 1125083985 /nfs/dbraw/zinc/08/39/85/1125083985.db2.gz YGTABOLJSBXNQN-GFCCVEGCSA-N 0 1 287.432 3.627 20 0 CHADMN CS[C@@H]1CCN(c2cc(C)nc3ccc(F)cc32)C1 ZINC000450680230 1125084765 /nfs/dbraw/zinc/08/47/65/1125084765.db2.gz LDMKFHVENHPFAT-GFCCVEGCSA-N 0 1 276.380 3.624 20 0 CHADMN Cc1csc([C@H]2CCN(Cc3cc(F)cc(F)c3)C2)n1 ZINC000877813650 1125084904 /nfs/dbraw/zinc/08/49/04/1125084904.db2.gz NKIHPJPFJXOLFC-LBPRGKRZSA-N 0 1 294.370 3.719 20 0 CHADMN Cc1csc([C@@H]2CCN(Cc3cccc(F)c3F)C2)n1 ZINC000877813961 1125085354 /nfs/dbraw/zinc/08/53/54/1125085354.db2.gz QUDHIQXHWRHQNQ-GFCCVEGCSA-N 0 1 294.370 3.719 20 0 CHADMN FC(F)(F)[C@@H]1CCN(Cc2coc3ccccc23)CCO1 ZINC000877820952 1125088463 /nfs/dbraw/zinc/08/84/63/1125088463.db2.gz UIFAIAJAMPRCMB-AWEZNQCLSA-N 0 1 299.292 3.586 20 0 CHADMN CO[C@@H](C)[C@H](C)NCc1c(Cl)cccc1Cl ZINC000390451300 1125089006 /nfs/dbraw/zinc/08/90/06/1125089006.db2.gz ZPWLMXGVMBJBAE-IUCAKERBSA-N 0 1 262.180 3.506 20 0 CHADMN CC[C@@](C)(CNc1ccnc2cc(F)ccc21)OC ZINC000450708355 1125092799 /nfs/dbraw/zinc/09/27/99/1125092799.db2.gz CRAOIQCSKAFFDB-HNNXBMFYSA-N 0 1 262.328 3.601 20 0 CHADMN C[N@@H+](Cc1nc2c(o1)CCCC2)C1CCCCCC1 ZINC000877907898 1125099738 /nfs/dbraw/zinc/09/97/38/1125099738.db2.gz FXTIWCKJNYMVTD-UHFFFAOYSA-N 0 1 262.397 3.708 20 0 CHADMN CN(Cc1nc2c(o1)CCCC2)C1CCCCCC1 ZINC000877907898 1125099745 /nfs/dbraw/zinc/09/97/45/1125099745.db2.gz FXTIWCKJNYMVTD-UHFFFAOYSA-N 0 1 262.397 3.708 20 0 CHADMN CC(C)(C)c1n[nH]c(SC[C@@H]2CCCC2(F)F)n1 ZINC000450758939 1125104023 /nfs/dbraw/zinc/10/40/23/1125104023.db2.gz JVEIGLFHONQCSP-QMMMGPOBSA-N 0 1 275.368 3.630 20 0 CHADMN CC(C)(C)c1nc(SC[C@@H]2CCCC2(F)F)n[nH]1 ZINC000450758939 1125104025 /nfs/dbraw/zinc/10/40/25/1125104025.db2.gz JVEIGLFHONQCSP-QMMMGPOBSA-N 0 1 275.368 3.630 20 0 CHADMN CCc1oc2ccccc2c1CN(C)Cc1cn(C)nc1C ZINC000121330372 1125107940 /nfs/dbraw/zinc/10/79/40/1125107940.db2.gz SKZXQJBXQYOBQN-UHFFFAOYSA-N 0 1 297.402 3.669 20 0 CHADMN CCc1nc(CN(C)C[C@@H]2CC(C)(C)OC2(C)C)cs1 ZINC000877995070 1125110133 /nfs/dbraw/zinc/11/01/33/1125110133.db2.gz CCYMFFIIOAUWCV-LBPRGKRZSA-N 0 1 296.480 3.731 20 0 CHADMN CN(Cc1ccoc1)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000877989437 1125111266 /nfs/dbraw/zinc/11/12/66/1125111266.db2.gz ZQXPNEYWTNKIEJ-IAGOWNOFSA-N 0 1 271.360 3.632 20 0 CHADMN CCN(CCc1cccs1)Cc1nc2c(o1)CCCC2 ZINC000878015271 1125113799 /nfs/dbraw/zinc/11/37/99/1125113799.db2.gz VHOUXMGOQKAQLS-UHFFFAOYSA-N 0 1 290.432 3.680 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1nccn1CC(F)F)C1CC1 ZINC000878057477 1125115170 /nfs/dbraw/zinc/11/51/70/1125115170.db2.gz MCWUGXRFTYVRAY-RYUDHWBXSA-N 0 1 285.382 3.547 20 0 CHADMN CC(C)(C)[C@@H]1CCCN1Cc1nc2c(o1)CCCC2 ZINC000878054890 1125115316 /nfs/dbraw/zinc/11/53/16/1125115316.db2.gz MXHYLZURSSYZSH-AWEZNQCLSA-N 0 1 262.397 3.564 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1nccn1CC(F)F)C1CC1 ZINC000878057475 1125115370 /nfs/dbraw/zinc/11/53/70/1125115370.db2.gz MCWUGXRFTYVRAY-NEPJUHHUSA-N 0 1 285.382 3.547 20 0 CHADMN CC[C@@H](C)CN(C)Cc1coc(-c2ccccc2OC)n1 ZINC000878094994 1125119040 /nfs/dbraw/zinc/11/90/40/1125119040.db2.gz YWQRZMCTWJHEKT-CYBMUJFWSA-N 0 1 288.391 3.828 20 0 CHADMN C[C@@H](C1CC1)N(CC(=O)c1c[nH]c2ccccc12)C1CC1 ZINC000121400750 1125119637 /nfs/dbraw/zinc/11/96/37/1125119637.db2.gz RSCVAWJCUGKEJR-LBPRGKRZSA-N 0 1 282.387 3.614 20 0 CHADMN Cc1nc(CN2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cs1 ZINC000121475600 1125123093 /nfs/dbraw/zinc/12/30/93/1125123093.db2.gz GZCAUOKDKYKRRM-SMDDNHRTSA-N 0 1 290.407 3.969 20 0 CHADMN COc1ccccc1-c1nc(C[N@H+]2CCC(C)(C)C2)co1 ZINC000878149462 1125124020 /nfs/dbraw/zinc/12/40/20/1125124020.db2.gz OYMZUQJPHJANFQ-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN COc1ccccc1-c1nc(CN2CCC(C)(C)C2)co1 ZINC000878149462 1125124024 /nfs/dbraw/zinc/12/40/24/1125124024.db2.gz OYMZUQJPHJANFQ-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN C[C@@H]1c2ccccc2CN1C[C@H]1CC2(CCC2)CO1 ZINC000878157663 1125125969 /nfs/dbraw/zinc/12/59/69/1125125969.db2.gz JRMBXWPAUSKZJN-UKRRQHHQSA-N 0 1 257.377 3.522 20 0 CHADMN Fc1cccc([C@H]2CCN2C[C@@H]2CCC3(CCC3)O2)c1 ZINC000878165868 1125126926 /nfs/dbraw/zinc/12/69/26/1125126926.db2.gz GLDMWIRTSCJPJK-JKSUJKDBSA-N 0 1 275.367 3.674 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1cccc2ccccc21 ZINC000530173683 1125129746 /nfs/dbraw/zinc/12/97/46/1125129746.db2.gz GVCICZJKOUFJOX-XOIINTDNSA-N 0 1 297.398 3.913 20 0 CHADMN C[C@H](C[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C)C1CCCCC1 ZINC000530172850 1125130047 /nfs/dbraw/zinc/13/00/47/1125130047.db2.gz BKWAVQXVUWXJJW-HGTKMLMNSA-N 0 1 281.440 3.776 20 0 CHADMN CCC(C)(C)N(C)Cc1nc(C)c(Br)s1 ZINC000878245415 1125134124 /nfs/dbraw/zinc/13/41/24/1125134124.db2.gz AXGKESRCIDBCRO-UHFFFAOYSA-N 0 1 291.258 3.834 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@H](C)N(C)Cc2ccccc2)c1 ZINC000026463280 1125136097 /nfs/dbraw/zinc/13/60/97/1125136097.db2.gz VMJDXEOMAONRNJ-INIZCTEOSA-N 0 1 296.414 3.762 20 0 CHADMN C[C@H]1SCCN(Cc2ccc(Cl)cc2)[C@@H]1C ZINC000303657097 1125137113 /nfs/dbraw/zinc/13/71/13/1125137113.db2.gz CPXPOSFFWUITCH-GHMZBOCLSA-N 0 1 255.814 3.666 20 0 CHADMN C[C@@]1(F)CC[N@@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000530336503 1125144500 /nfs/dbraw/zinc/14/45/00/1125144500.db2.gz YDBHNUJNUCUSEW-PYLYLYNFSA-N 0 1 253.748 3.787 20 0 CHADMN C[C@@]1(F)CCN(C/C=C\c2ccc(Cl)cc2)C1 ZINC000530336503 1125144502 /nfs/dbraw/zinc/14/45/02/1125144502.db2.gz YDBHNUJNUCUSEW-PYLYLYNFSA-N 0 1 253.748 3.787 20 0 CHADMN CC[C@H](NC[C@H]1CCC2(CCC2)O1)c1nc(C)cs1 ZINC000878408666 1125150534 /nfs/dbraw/zinc/15/05/34/1125150534.db2.gz VRTQIJGFFQANBB-OLZOCXBDSA-N 0 1 280.437 3.594 20 0 CHADMN CC(C)(F)CN[C@H]1CCSc2ccc(F)cc21 ZINC000631658526 1125158942 /nfs/dbraw/zinc/15/89/42/1125158942.db2.gz LIJUBRGMQWQKMQ-NSHDSACASA-N 0 1 257.349 3.700 20 0 CHADMN C=C/C=C\CCN1CCCC[C@@H]1c1nccn1CC ZINC000878547538 1125161650 /nfs/dbraw/zinc/16/16/50/1125161650.db2.gz JTIYSNUUACSSJT-IYKSTZQJSA-N 0 1 259.397 3.562 20 0 CHADMN COc1cccc([C@H]2CCCN2Cc2ccc(C)nc2)c1 ZINC000122031942 1125168696 /nfs/dbraw/zinc/16/86/96/1125168696.db2.gz RYDMTVOWJDZOSU-GOSISDBHSA-N 0 1 282.387 3.736 20 0 CHADMN OCC[C@@H](NCc1cc2cc(F)ccc2o1)c1ccccc1 ZINC000304312409 1125168806 /nfs/dbraw/zinc/16/88/06/1125168806.db2.gz NQEUFRNLNWHJLR-QGZVFWFLSA-N 0 1 299.345 3.785 20 0 CHADMN CC(C)C[C@@H](C)N(C)C(=O)CN(C)[C@H](C)c1ccccc1 ZINC000530905281 1125185777 /nfs/dbraw/zinc/18/57/77/1125185777.db2.gz HLLWEHHWLMXXKN-HZPDHXFCSA-N 0 1 290.451 3.572 20 0 CHADMN Fc1ccc([C@H]2CCN2C[C@@H]2CCC3(CCC3)O2)cc1 ZINC000878921038 1125186227 /nfs/dbraw/zinc/18/62/27/1125186227.db2.gz LEJBOSJYKGQCSK-JKSUJKDBSA-N 0 1 275.367 3.674 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@@H](CCF)C2)nc1Cl ZINC000878949316 1125187594 /nfs/dbraw/zinc/18/75/94/1125187594.db2.gz LEJJEFMHHJLMAY-LBPRGKRZSA-N 0 1 270.779 3.615 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](CCF)C2)nc1Cl ZINC000878949316 1125187596 /nfs/dbraw/zinc/18/75/96/1125187596.db2.gz LEJJEFMHHJLMAY-LBPRGKRZSA-N 0 1 270.779 3.615 20 0 CHADMN C[C@@H]1CCC(C)(C)N1CC(=O)Nc1cc(Cl)ccc1F ZINC000452003994 1125189969 /nfs/dbraw/zinc/18/99/69/1125189969.db2.gz HBGTUASMLBXEIP-SNVBAGLBSA-N 0 1 298.789 3.681 20 0 CHADMN C(c1nc2c(o1)CCCC2)N1CCC[C@@H](C2CCC2)C1 ZINC000878994270 1125190391 /nfs/dbraw/zinc/19/03/91/1125190391.db2.gz PUTJEMRVKITALI-CQSZACIVSA-N 0 1 274.408 3.566 20 0 CHADMN CC1(C)C[N@@H+](C[C@@H]2CCC3(CCC3)O2)[C@H]1c1cccnc1 ZINC000879009647 1125191140 /nfs/dbraw/zinc/19/11/40/1125191140.db2.gz CGAUURLTVOPDTL-HOTGVXAUSA-N 0 1 286.419 3.566 20 0 CHADMN CC1(C)CN(C[C@@H]2CCC3(CCC3)O2)[C@H]1c1cccnc1 ZINC000879009647 1125191143 /nfs/dbraw/zinc/19/11/43/1125191143.db2.gz CGAUURLTVOPDTL-HOTGVXAUSA-N 0 1 286.419 3.566 20 0 CHADMN CC12CC(C1)C[N@H+]2C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000879009032 1125191169 /nfs/dbraw/zinc/19/11/69/1125191169.db2.gz NBLXDJPRNJTEBX-JRZRUSQNSA-N 0 1 286.202 3.511 20 0 CHADMN CC12CC(C1)CN2C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000879009032 1125191172 /nfs/dbraw/zinc/19/11/72/1125191172.db2.gz NBLXDJPRNJTEBX-JRZRUSQNSA-N 0 1 286.202 3.511 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)Cc2c(F)ccc(O)c2F)C1 ZINC000507190042 1125199188 /nfs/dbraw/zinc/19/91/88/1125199188.db2.gz YAQOQORWWBOOGH-WDEREUQCSA-N 0 1 269.335 3.681 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2ccnc(C)n2)c(C)c1 ZINC000507190622 1125199610 /nfs/dbraw/zinc/19/96/10/1125199610.db2.gz DXZUTWHQTKAWFO-CQSZACIVSA-N 0 1 269.392 3.595 20 0 CHADMN Cc1cc(OCCCOc2ccc(F)cc2)cc(C)n1 ZINC000531246910 1125203224 /nfs/dbraw/zinc/20/32/24/1125203224.db2.gz VCCGILRTDDFTDC-UHFFFAOYSA-N 0 1 275.323 3.685 20 0 CHADMN CC(C)c1nnc(CN[C@H](C)[C@@]23C[C@@H]2CCCC3)s1 ZINC000879267241 1125206300 /nfs/dbraw/zinc/20/63/00/1125206300.db2.gz XKAADLFDDRFOKU-TYNCELHUSA-N 0 1 279.453 3.720 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000123036936 1125220766 /nfs/dbraw/zinc/22/07/66/1125220766.db2.gz ARHCPPRLWXEJPZ-QWRGUYRKSA-N 0 1 291.782 3.763 20 0 CHADMN Cc1cc(C(=O)CN2CCC[C@H]2c2ccccc2)c(C)n1C ZINC000531494652 1125223573 /nfs/dbraw/zinc/22/35/73/1125223573.db2.gz WMKPRYGXWYNMMS-SFHVURJKSA-N 0 1 296.414 3.662 20 0 CHADMN O[C@H](CCN[C@H](CF)c1ccc(F)cc1)c1ccccc1 ZINC000879660936 1125223978 /nfs/dbraw/zinc/22/39/78/1125223978.db2.gz WEOGHMRPNLFWBE-IAGOWNOFSA-N 0 1 291.341 3.550 20 0 CHADMN CSCc1cc(F)ccc1CN[C@@H](C)c1ccns1 ZINC000925250135 1125230366 /nfs/dbraw/zinc/23/03/66/1125230366.db2.gz RTPDEKSVVDBZPB-JTQLQIEISA-N 0 1 296.436 3.996 20 0 CHADMN CC[C@]1(C)CCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000532090223 1125233025 /nfs/dbraw/zinc/23/30/25/1125233025.db2.gz WPLILMNAOMHQDZ-QGZVFWFLSA-N 0 1 270.376 3.964 20 0 CHADMN Cc1cccc(C)c1CN1CCO[C@H](c2cccs2)C1 ZINC000532127196 1125235404 /nfs/dbraw/zinc/23/54/04/1125235404.db2.gz XBLJIXVUDUTXRO-INIZCTEOSA-N 0 1 287.428 3.938 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@H](C(C)(C)O)C1 ZINC000879961197 1125242312 /nfs/dbraw/zinc/24/23/12/1125242312.db2.gz AWOUTUTULVPTIW-CHWSQXEVSA-N 0 1 294.439 3.516 20 0 CHADMN CCC1(CC)CCCN1Cc1nnc(C2CC2)s1 ZINC000880093682 1125249285 /nfs/dbraw/zinc/24/92/85/1125249285.db2.gz GIXMRDXFVGFPCB-UHFFFAOYSA-N 0 1 265.426 3.570 20 0 CHADMN c1cc([C@H]2CN(CC3CCCCC3)CCO2)cs1 ZINC000532344305 1125249481 /nfs/dbraw/zinc/24/94/81/1125249481.db2.gz UFSKNQJNWOMMGH-OAHLLOKOSA-N 0 1 265.422 3.702 20 0 CHADMN CCC1(CC)CCC[N@H+]1Cc1nc(=O)c2sccc2[n-]1 ZINC000880095848 1125250585 /nfs/dbraw/zinc/25/05/85/1125250585.db2.gz RDEKCLOSZHHFAX-UHFFFAOYSA-N 0 1 291.420 3.552 20 0 CHADMN C[C@H]1CC[C@H](NCc2c(F)c(F)cc(F)c2F)CS1 ZINC000655731115 1125255707 /nfs/dbraw/zinc/25/57/07/1125255707.db2.gz ORSCSUVWWFULAO-YUMQZZPRSA-N 0 1 293.329 3.617 20 0 CHADMN c1nc2ccc(CNc3cccc4c3OCCC4)cc2[nH]1 ZINC000532373484 1125257574 /nfs/dbraw/zinc/25/75/74/1125257574.db2.gz BVIWKFHFVXUJIA-UHFFFAOYSA-N 0 1 279.343 3.500 20 0 CHADMN FC1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000880241720 1125259424 /nfs/dbraw/zinc/25/94/24/1125259424.db2.gz HJSFTNPOLHRGTC-UHFFFAOYSA-N 0 1 286.350 3.808 20 0 CHADMN COCOc1cnc(-c2cccc(C)c2)cc1/C=C/N(C)C ZINC001239488291 1131342912 /nfs/dbraw/zinc/34/29/12/1131342912.db2.gz LZYUPHZIZRZGOP-CMDGGOBGSA-N 0 1 298.386 3.572 20 0 CHADMN CSC[C@H]1CCCN1Cc1c(F)ccc(C)c1F ZINC001168146588 1125262212 /nfs/dbraw/zinc/26/22/12/1125262212.db2.gz RFPOBQPQOPZDCE-LLVKDONJSA-N 0 1 271.376 3.601 20 0 CHADMN Clc1ccsc1CN1CC[C@H](c2nccs2)C1 ZINC000880320964 1125266188 /nfs/dbraw/zinc/26/61/88/1125266188.db2.gz KTDJZLSCEOVYIO-VIFPVBQESA-N 0 1 284.837 3.848 20 0 CHADMN Cc1nc(CN[C@H](C)Cc2ccc(Cl)cc2)c(C)o1 ZINC001168150161 1125267209 /nfs/dbraw/zinc/26/72/09/1125267209.db2.gz RIMTUZOLDSYHCO-SNVBAGLBSA-N 0 1 278.783 3.666 20 0 CHADMN Cc1oncc1CN1CCCSC[C@@H]1c1ccccc1 ZINC000880387733 1125271000 /nfs/dbraw/zinc/27/10/00/1125271000.db2.gz MFLJMECMOWAMFX-MRXNPFEDSA-N 0 1 288.416 3.663 20 0 CHADMN CC(C)(C)c1nc(CN[C@@H]2CCC[C@]23CCCO3)cs1 ZINC000880510958 1125277604 /nfs/dbraw/zinc/27/76/04/1125277604.db2.gz HOYIFMVZKSOYFH-CJNGLKHVSA-N 0 1 294.464 3.632 20 0 CHADMN Clc1cccc([C@@H]2CC[C@H](NCc3ccon3)C2)c1 ZINC000666093577 1125280988 /nfs/dbraw/zinc/28/09/88/1125280988.db2.gz PWADHIHGIKWXFS-OCCSQVGLSA-N 0 1 276.767 3.754 20 0 CHADMN Cc1ccccc1-c1nc(C[N@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)no1 ZINC000475730812 1125282283 /nfs/dbraw/zinc/28/22/83/1125282283.db2.gz ASIZHGHTVNNMNE-YUELXQCFSA-N 0 1 299.418 3.911 20 0 CHADMN Cc1ccccc1-c1nc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)no1 ZINC000475730812 1125282286 /nfs/dbraw/zinc/28/22/86/1125282286.db2.gz ASIZHGHTVNNMNE-YUELXQCFSA-N 0 1 299.418 3.911 20 0 CHADMN Cc1csc(CN2CCc3ccc(F)cc3C2)c1 ZINC001137158514 1125286643 /nfs/dbraw/zinc/28/66/43/1125286643.db2.gz WDAMMWSKVSZKTN-UHFFFAOYSA-N 0 1 261.365 3.754 20 0 CHADMN ClC1(Cl)C[C@H]1CCN1CCCc2occc2C1 ZINC000823134596 1131416534 /nfs/dbraw/zinc/41/65/34/1131416534.db2.gz BBMKKGGLGPDEMM-LLVKDONJSA-N 0 1 274.191 3.612 20 0 CHADMN Fc1cccn2cc(CN3CCCC4(CCCC4)C3)nc12 ZINC000783744731 1125308855 /nfs/dbraw/zinc/30/88/55/1125308855.db2.gz GQLWAKHMTRCJHH-UHFFFAOYSA-N 0 1 287.382 3.630 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccnn2C2CCC2)cc1C ZINC000897414497 1125317416 /nfs/dbraw/zinc/31/74/16/1125317416.db2.gz DUKJFHOGXCOKCF-CQSZACIVSA-N 0 1 299.418 3.776 20 0 CHADMN Cc1cc(CNCc2ccnc(F)c2C)ccc1Cl ZINC000862324779 1125317848 /nfs/dbraw/zinc/31/78/48/1125317848.db2.gz UXTAOOGUGTUBOW-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1)N1CCC(=O)[C@H](C)CC1 ZINC001168171894 1125318677 /nfs/dbraw/zinc/31/86/77/1125318677.db2.gz YITKVNYUPIPFSQ-OLZOCXBDSA-N 0 1 279.811 3.572 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1)N1CCC(=O)[C@@H](C)CC1 ZINC001168171896 1125318811 /nfs/dbraw/zinc/31/88/11/1125318811.db2.gz YITKVNYUPIPFSQ-STQMWFEESA-N 0 1 279.811 3.572 20 0 CHADMN CCc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1CC ZINC000190988971 1125321720 /nfs/dbraw/zinc/32/17/20/1125321720.db2.gz CLEKADOBKBSWPQ-UHFFFAOYSA-N 0 1 283.375 3.664 20 0 CHADMN C(=C/c1ccccc1)\CNCc1nccn1-c1ccccc1 ZINC000191022258 1125322668 /nfs/dbraw/zinc/32/26/68/1125322668.db2.gz FNEBJYLROGZPKR-JXMROGBWSA-N 0 1 289.382 3.675 20 0 CHADMN CCCC1CCC(N(C)Cc2nnc(C)n2C2CC2)CC1 ZINC000191420330 1125325399 /nfs/dbraw/zinc/32/53/99/1125325399.db2.gz ZBJTVZCKYZQUDC-UHFFFAOYSA-N 0 1 290.455 3.712 20 0 CHADMN FC(F)(F)OCCNc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001168173894 1125326067 /nfs/dbraw/zinc/32/60/67/1125326067.db2.gz FVWXUGPNQSZNLA-UHFFFAOYSA-N 0 1 295.264 3.664 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)cc1F)c1ccc[nH]1 ZINC000760243502 1125329599 /nfs/dbraw/zinc/32/95/99/1125329599.db2.gz OHDGRLSBCUVHIQ-UWVGGRQHSA-N 0 1 250.292 3.705 20 0 CHADMN CCCC(=O)Nc1cccc(CNCc2ccoc2C)c1 ZINC000666222890 1125330935 /nfs/dbraw/zinc/33/09/35/1125330935.db2.gz LWNJLTMSOCUURF-UHFFFAOYSA-N 0 1 286.375 3.616 20 0 CHADMN O=C1CCN(Cc2cccc3cccnc32)[C@H]2CCCC[C@H]12 ZINC001137172173 1125331524 /nfs/dbraw/zinc/33/15/24/1125331524.db2.gz WTOGKFLMUFUVSZ-IRXDYDNUSA-N 0 1 294.398 3.568 20 0 CHADMN CC[C@@](C)(NCc1ccc(OC)cn1)c1ccc(F)cc1 ZINC000639926822 1125336400 /nfs/dbraw/zinc/33/64/00/1125336400.db2.gz CHRPBWTYTKDFES-QGZVFWFLSA-N 0 1 288.366 3.644 20 0 CHADMN CC[C@@H](Cc1cccs1)NCc1nnc(C2CC2)s1 ZINC000666254883 1125343346 /nfs/dbraw/zinc/34/33/46/1125343346.db2.gz XKMSOXDESOMPAZ-NSHDSACASA-N 0 1 293.461 3.588 20 0 CHADMN Cc1nc([C@H](C)Nc2nc3c(cc(C)cc3C)s2)n[nH]1 ZINC000882357991 1125344538 /nfs/dbraw/zinc/34/45/38/1125344538.db2.gz OHFHFVGAPWJVNN-VIFPVBQESA-N 0 1 287.392 3.513 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)N1CCCO[C@H](C)C1 ZINC000170764358 1125345767 /nfs/dbraw/zinc/34/57/67/1125345767.db2.gz DEGPTCGBXYYILI-NEPJUHHUSA-N 0 1 253.773 3.512 20 0 CHADMN CCCCCc1cc(C(=O)N([C@H](C)C2CC2)C2CC2)n[nH]1 ZINC000666278606 1125346882 /nfs/dbraw/zinc/34/68/82/1125346882.db2.gz QDTKIKIFKVHFDB-GFCCVEGCSA-N 0 1 289.423 3.546 20 0 CHADMN C[C@@H](Cc1ccsc1)NCc1ncc(Cl)s1 ZINC000225327248 1125388094 /nfs/dbraw/zinc/38/80/94/1125388094.db2.gz HCUGOGKYPGKSLF-QMMMGPOBSA-N 0 1 272.826 3.579 20 0 CHADMN C[C@H](NCc1cccs1)c1cnn(-c2ccccc2)c1 ZINC000129682470 1125347645 /nfs/dbraw/zinc/34/76/45/1125347645.db2.gz URYUSRXMRSKOPG-ZDUSSCGKSA-N 0 1 283.400 3.785 20 0 CHADMN COc1ccc(C(C)C)cc1C[N@H+]1CCCSCC1 ZINC000653593275 1125349235 /nfs/dbraw/zinc/34/92/35/1125349235.db2.gz UCIWRAJMMROQRW-UHFFFAOYSA-N 0 1 279.449 3.758 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCCCC12COC2 ZINC001168181371 1125349318 /nfs/dbraw/zinc/34/93/18/1125349318.db2.gz YNJSPJOGGJMGAN-ZDUSSCGKSA-N 0 1 279.811 3.526 20 0 CHADMN Cc1cccc2c1CN(Cc1cc3ccccc3[nH]c1=O)C2 ZINC001137180017 1125349589 /nfs/dbraw/zinc/34/95/89/1125349589.db2.gz NUBZZEBYDLKOOU-UHFFFAOYSA-N 0 1 290.366 3.765 20 0 CHADMN CCc1ncc(CN2CCc3ccccc3[C@@H]2CC)cn1 ZINC000666312121 1125351407 /nfs/dbraw/zinc/35/14/07/1125351407.db2.gz QQCNHTXSYRTVCW-KRWDZBQOSA-N 0 1 281.403 3.548 20 0 CHADMN Cc1cc2c(c(C)c1)[C@@H](N[C@H]1CCCc3c[nH]nc31)CC2 ZINC000655732727 1125356197 /nfs/dbraw/zinc/35/61/97/1125356197.db2.gz FKTLFALRHZCECG-HOTGVXAUSA-N 0 1 281.403 3.681 20 0 CHADMN Fc1ccc(C2(NCc3ccco3)CCCC2)cc1 ZINC000237745355 1125357649 /nfs/dbraw/zinc/35/76/49/1125357649.db2.gz PJYKNQGCTFABHM-UHFFFAOYSA-N 0 1 259.324 3.978 20 0 CHADMN CCCOc1cc(C)ccc1CNCc1ccncc1C ZINC000648482881 1125358522 /nfs/dbraw/zinc/35/85/22/1125358522.db2.gz VFLAPSWLNNBMGO-UHFFFAOYSA-N 0 1 284.403 3.777 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1ccc(Cl)nc1 ZINC000130303231 1125358896 /nfs/dbraw/zinc/35/88/96/1125358896.db2.gz MHROSFPRSPQAOH-CQSZACIVSA-N 0 1 275.783 3.713 20 0 CHADMN CC(C)c1c[nH]c(CN[C@@H]2CCCc3ccccc32)n1 ZINC000882878747 1125359696 /nfs/dbraw/zinc/35/96/96/1125359696.db2.gz QHZMSXJLSXXCQY-OAHLLOKOSA-N 0 1 269.392 3.700 20 0 CHADMN Cc1ccccc1-c1nc(C(C)(C)C)nc2nc[nH]c21 ZINC001239500855 1131350276 /nfs/dbraw/zinc/35/02/76/1131350276.db2.gz PMXFKDPBVFBGKU-UHFFFAOYSA-N 0 1 266.348 3.577 20 0 CHADMN CC(C)(C)CCN(CCc1ccccc1)C(=O)c1cnc[nH]1 ZINC000882887333 1125360680 /nfs/dbraw/zinc/36/06/80/1125360680.db2.gz MUUVSSLEJUCHRG-UHFFFAOYSA-N 0 1 299.418 3.531 20 0 CHADMN CC[C@H](C)[N@@H+](C)Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000037110539 1125365126 /nfs/dbraw/zinc/36/51/26/1125365126.db2.gz ZUVKPWWHRWIXNJ-VIFPVBQESA-N 0 1 295.379 3.969 20 0 CHADMN C[C@@H](N[C@H](C)c1cc(F)ccc1F)c1ccc[nH]1 ZINC000760251573 1125365170 /nfs/dbraw/zinc/36/51/70/1125365170.db2.gz YOAKCJAFGKMXJA-NXEZZACHSA-N 0 1 250.292 3.705 20 0 CHADMN C[C@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc[nH]1 ZINC000760251574 1125365281 /nfs/dbraw/zinc/36/52/81/1125365281.db2.gz YOAKCJAFGKMXJA-UWVGGRQHSA-N 0 1 250.292 3.705 20 0 CHADMN CC[N@@H+](Cc1c(C(=O)[O-])sc2cccc(F)c21)C(C)C ZINC000037082497 1125365314 /nfs/dbraw/zinc/36/53/14/1125365314.db2.gz BASICGLGPMXGRO-UHFFFAOYSA-N 0 1 295.379 3.969 20 0 CHADMN Nc1c(Cl)cccc1CNC1(c2ccc(F)cc2)CC1 ZINC000882986982 1125365429 /nfs/dbraw/zinc/36/54/29/1125365429.db2.gz PSCKBJUCAQOAIV-UHFFFAOYSA-N 0 1 290.769 3.840 20 0 CHADMN Cc1ccc(-c2nc(CN[C@@H](C)[C@H]3CC3(F)F)co2)cc1 ZINC000666444585 1125369655 /nfs/dbraw/zinc/36/96/55/1125369655.db2.gz IOBVWTMZYMCYDX-SMDDNHRTSA-N 0 1 292.329 3.783 20 0 CHADMN C[C@@H](NCc1csc(-c2ccco2)n1)[C@H]1CC1(F)F ZINC000666445902 1125369783 /nfs/dbraw/zinc/36/97/83/1125369783.db2.gz YTAMOQIRFAGNLZ-PSASIEDQSA-N 0 1 284.331 3.536 20 0 CHADMN CC(C)c1c[nH]c(CNc2ccc3cnccc3c2)n1 ZINC000883139849 1125373821 /nfs/dbraw/zinc/37/38/21/1125373821.db2.gz BHNIOPFAJZVDDY-UHFFFAOYSA-N 0 1 266.348 3.693 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnn(C)c1)c1sccc1Cl ZINC000883191731 1125375598 /nfs/dbraw/zinc/37/55/98/1125375598.db2.gz IHZRYQSEATYGLP-BXKDBHETSA-N 0 1 283.828 3.937 20 0 CHADMN C/C=C/C[C@H]1CCCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000626160715 1125375850 /nfs/dbraw/zinc/37/58/50/1125375850.db2.gz OFJXOBLJDFUTBE-IBUXWKBASA-N 0 1 287.363 3.508 20 0 CHADMN CC[C@H](N[C@@H](C)c1cn[nH]c1)c1sccc1Cl ZINC000883208899 1125377745 /nfs/dbraw/zinc/37/77/45/1125377745.db2.gz QHPFFEUHQNIVIY-KWQFWETISA-N 0 1 269.801 3.927 20 0 CHADMN CC1(C)CN[C@@H]1c1nc(-c2cccc3ccccc32)no1 ZINC000666572197 1125381845 /nfs/dbraw/zinc/38/18/45/1125381845.db2.gz VRVISQRAPUOEAK-CQSZACIVSA-N 0 1 279.343 3.560 20 0 CHADMN CCSc1ccc(CNCc2cncn2C(C)C)cc1 ZINC000883235870 1125382198 /nfs/dbraw/zinc/38/21/98/1125382198.db2.gz MONFFIPACCZQLH-UHFFFAOYSA-N 0 1 289.448 3.866 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000666580946 1125382930 /nfs/dbraw/zinc/38/29/30/1125382930.db2.gz URDHBVOOSODXQQ-CQSZACIVSA-N 0 1 299.370 3.633 20 0 CHADMN CC[C@H](CC(=O)NC[C@H](c1cccs1)N(C)C)C(C)C ZINC000104204481 1125383330 /nfs/dbraw/zinc/38/33/30/1125383330.db2.gz KJDWXTLGVPMEOS-ZIAGYGMSSA-N 0 1 296.480 3.539 20 0 CHADMN CCSc1ccc(CN[C@H](C)c2cc(C)nn2C)cc1 ZINC000883245784 1125383366 /nfs/dbraw/zinc/38/33/66/1125383366.db2.gz RRLNZWMVXJSLCD-CYBMUJFWSA-N 0 1 289.448 3.691 20 0 CHADMN c1ccc2c(c1)C[N@@H+](CCOC1CCCCCC1)CCO2 ZINC000740875354 1125384953 /nfs/dbraw/zinc/38/49/53/1125384953.db2.gz VIFHAVLTFIWNPV-UHFFFAOYSA-N 0 1 289.419 3.620 20 0 CHADMN c1ccc2c(c1)CN(CCOC1CCCCCC1)CCO2 ZINC000740875354 1125384955 /nfs/dbraw/zinc/38/49/55/1125384955.db2.gz VIFHAVLTFIWNPV-UHFFFAOYSA-N 0 1 289.419 3.620 20 0 CHADMN CC(C)(CN[C@H]1c2ccccc2OC[C@@H]1F)CC(F)F ZINC000883260547 1125387315 /nfs/dbraw/zinc/38/73/15/1125387315.db2.gz YVQFSSLCAQSBIH-FZMZJTMJSA-N 0 1 287.325 3.729 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(C(=O)c1[nH]nc2ccccc21)C1CC1 ZINC000104567421 1125387454 /nfs/dbraw/zinc/38/74/54/1125387454.db2.gz YMMJGQZWDCWLIH-VXGBXAGGSA-N 0 1 285.391 3.602 20 0 CHADMN CCCC[C@@H](COC)N[C@@H](C)c1c(F)cccc1F ZINC000532448581 1125388988 /nfs/dbraw/zinc/38/89/88/1125388988.db2.gz GVIYQTWXDVHITG-RYUDHWBXSA-N 0 1 271.351 3.821 20 0 CHADMN O=C1CCN(Cc2cccc3ncccc23)[C@H]2CCCC[C@@H]12 ZINC001137623166 1125391856 /nfs/dbraw/zinc/39/18/56/1125391856.db2.gz TUNIUXSJCLFXOZ-AEFFLSMTSA-N 0 1 294.398 3.568 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)[C@@H](C(=O)[O-])C1 ZINC000229298716 1125393623 /nfs/dbraw/zinc/39/36/23/1125393623.db2.gz VPDHYEYEKZAQHN-XJKSGUPXSA-N 0 1 289.419 3.669 20 0 CHADMN c1cnc(C2(NC3CCC4(CCCC4)CC3)CCC2)nc1 ZINC000883312315 1125393784 /nfs/dbraw/zinc/39/37/84/1125393784.db2.gz ZWBBYTOEVACIBQ-UHFFFAOYSA-N 0 1 285.435 3.948 20 0 CHADMN Cc1cc(CNC2CC(c3ccc(Cl)cc3)C2)no1 ZINC000044692752 1125394508 /nfs/dbraw/zinc/39/45/08/1125394508.db2.gz BZWNMDOTYDFIBY-UHFFFAOYSA-N 0 1 276.767 3.672 20 0 CHADMN FC(F)(F)c1cnc(CN[C@@H]2C[C@@H]3CCCC[C@H]23)s1 ZINC000883319049 1125394941 /nfs/dbraw/zinc/39/49/41/1125394941.db2.gz MWOWAWLLJMNQBA-LPEHRKFASA-N 0 1 290.354 3.830 20 0 CHADMN CCC[C@@H](NCC(C)(C)OC)c1ncccc1Cl ZINC000925270202 1125395030 /nfs/dbraw/zinc/39/50/30/1125395030.db2.gz MKRSEDSIPFTUIU-GFCCVEGCSA-N 0 1 270.804 3.591 20 0 CHADMN CSCCN(Cc1ccco1)Cc1cccs1 ZINC000171024565 1125399500 /nfs/dbraw/zinc/39/95/00/1125399500.db2.gz SSRDSGABCZXRRK-UHFFFAOYSA-N 0 1 267.419 3.706 20 0 CHADMN Cc1[nH]ncc1CNc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000883369262 1125403345 /nfs/dbraw/zinc/40/33/45/1125403345.db2.gz NBNAHSKFSQSDDC-LBPRGKRZSA-N 0 1 287.260 3.903 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccccc2N(C)C)o1 ZINC000171127127 1125403772 /nfs/dbraw/zinc/40/37/72/1125403772.db2.gz BXCSDHPYXYPPTJ-CYBMUJFWSA-N 0 1 258.365 3.505 20 0 CHADMN CC(C)CCN(Cc1ccco1)Cc1cccnc1 ZINC000171146585 1125404489 /nfs/dbraw/zinc/40/44/89/1125404489.db2.gz OSIUYLSJMZJMSE-UHFFFAOYSA-N 0 1 258.365 3.723 20 0 CHADMN Cc1ccccc1[C@@H](CO)N[C@@H](C)c1ccccc1F ZINC000532551576 1125410687 /nfs/dbraw/zinc/41/06/87/1125410687.db2.gz XYHVTEVHZCUQJK-SUMWQHHRSA-N 0 1 273.351 3.518 20 0 CHADMN CC1(C)Nc2ccccc2[C@@H]1NCc1ccnc(Cl)c1 ZINC000883463260 1125411780 /nfs/dbraw/zinc/41/17/80/1125411780.db2.gz LRVIURZESUOSRG-HNNXBMFYSA-N 0 1 287.794 3.770 20 0 CHADMN CCOc1ccccc1CN[C@H](C)c1ccnc(Cl)c1 ZINC000132228961 1125416110 /nfs/dbraw/zinc/41/61/10/1125416110.db2.gz ILXPXTJIDDTVAU-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN COc1cc(Nc2cccc3nc(C)ccc32)ncc1C ZINC001212796782 1125425971 /nfs/dbraw/zinc/42/59/71/1125425971.db2.gz CIXCDEKXXPOIMP-UHFFFAOYSA-N 0 1 279.343 3.999 20 0 CHADMN C[C@@H](Cc1cccc(Cl)c1)NCc1cscn1 ZINC000040504476 1125430363 /nfs/dbraw/zinc/43/03/63/1125430363.db2.gz RUIAIQPZHDSTGI-JTQLQIEISA-N 0 1 266.797 3.517 20 0 CHADMN C[S@](=O)c1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000123674719 1125431815 /nfs/dbraw/zinc/43/18/15/1125431815.db2.gz UKPOEGGAJNLHPN-WIYYLYMNSA-N 0 1 299.439 3.761 20 0 CHADMN C[S@](=O)c1ccc(CN2CCC[C@@H]2c2ccccc2)cc1 ZINC000123674719 1125431816 /nfs/dbraw/zinc/43/18/16/1125431816.db2.gz UKPOEGGAJNLHPN-WIYYLYMNSA-N 0 1 299.439 3.761 20 0 CHADMN Fc1ccc(CN2C[C@H]3CCC[C@@H]3C2)c(Br)c1 ZINC000148094849 1125433175 /nfs/dbraw/zinc/43/31/75/1125433175.db2.gz PRPKMYWUAHNJNT-GHMZBOCLSA-N 0 1 298.199 3.820 20 0 CHADMN Cc1ccc(O)c(CNC2(c3cccc(Cl)c3)CC2)n1 ZINC000124429773 1125438565 /nfs/dbraw/zinc/43/85/65/1125438565.db2.gz PZRHFKROKRHBSE-UHFFFAOYSA-N 0 1 288.778 3.528 20 0 CHADMN Cc1ccc(CN(Cc2cccs2)C2CC2)nc1 ZINC000124517725 1125438697 /nfs/dbraw/zinc/43/86/97/1125438697.db2.gz DAZYNVKHSLSJCX-UHFFFAOYSA-N 0 1 258.390 3.616 20 0 CHADMN CC(C)c1nnc(CNC[C@@H]2C[C@@H]2c2ccccc2)s1 ZINC000348254931 1125443344 /nfs/dbraw/zinc/44/33/44/1125443344.db2.gz GHGROGSKIVEJIU-UONOGXRCSA-N 0 1 287.432 3.555 20 0 CHADMN C[N@@H+](C/C=C\c1ccc(F)c(F)c1)Cc1ccncc1 ZINC000348260382 1125449165 /nfs/dbraw/zinc/44/91/65/1125449165.db2.gz KACWFYAIAAHNJZ-IHWYPQMZSA-N 0 1 274.314 3.505 20 0 CHADMN CN(C/C=C\c1ccc(F)c(F)c1)Cc1ccncc1 ZINC000348260382 1125449168 /nfs/dbraw/zinc/44/91/68/1125449168.db2.gz KACWFYAIAAHNJZ-IHWYPQMZSA-N 0 1 274.314 3.505 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc(-c3ccncc3)c2)on1 ZINC000125707665 1125450548 /nfs/dbraw/zinc/45/05/48/1125450548.db2.gz NJURPKOIVDRLKQ-AWEZNQCLSA-N 0 1 293.370 3.896 20 0 CHADMN Cn1cc(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)cn1 ZINC000108385508 1125454063 /nfs/dbraw/zinc/45/40/63/1125454063.db2.gz ISBCJIWPYMJGGY-SFHVURJKSA-N 0 1 294.402 3.629 20 0 CHADMN CCCN(Cc1cn(CC)nn1)[C@@H](CC)c1ccccc1 ZINC000883998898 1125455277 /nfs/dbraw/zinc/45/52/77/1125455277.db2.gz GAODGYZAMWRKPZ-KRWDZBQOSA-N 0 1 286.423 3.661 20 0 CHADMN Cc1nccnc1C[N@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000621717752 1129185595 /nfs/dbraw/zinc/18/55/95/1129185595.db2.gz MVYMVFTZDFDANA-PXAZEXFGSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1nccnc1C[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000621717850 1129185769 /nfs/dbraw/zinc/18/57/69/1129185769.db2.gz PXTUNHYWEHYBPH-SJCJKPOMSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1nccnc1CN1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000621717850 1129185773 /nfs/dbraw/zinc/18/57/73/1129185773.db2.gz PXTUNHYWEHYBPH-SJCJKPOMSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1nccnc1C[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000621717849 1129185787 /nfs/dbraw/zinc/18/57/87/1129185787.db2.gz PXTUNHYWEHYBPH-PXAZEXFGSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1nccnc1CN1C[C@H](C)C[C@H]1c1ccccc1F ZINC000621717849 1129185790 /nfs/dbraw/zinc/18/57/90/1129185790.db2.gz PXTUNHYWEHYBPH-PXAZEXFGSA-N 0 1 285.366 3.507 20 0 CHADMN CCCN(Cc1cn2ccccc2n1)Cc1ccc(F)cc1 ZINC000621733013 1129187853 /nfs/dbraw/zinc/18/78/53/1129187853.db2.gz NZJRQIAXGOCSAJ-UHFFFAOYSA-N 0 1 297.377 3.886 20 0 CHADMN Nc1c(Cl)cc(Cl)cc1CN1CC[C@H]2CCC[C@H]21 ZINC000385964391 1129189354 /nfs/dbraw/zinc/18/93/54/1129189354.db2.gz LCPQVNAIKPIYCM-NOZJJQNGSA-N 0 1 285.218 3.950 20 0 CHADMN c1cc(CC2CN(Cc3cc4ccccc4[nH]3)C2)cs1 ZINC000621741135 1129189612 /nfs/dbraw/zinc/18/96/12/1129189612.db2.gz CYVJJBNTQLCPCN-UHFFFAOYSA-N 0 1 282.412 3.904 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)C1CCC=CCC1 ZINC000635927097 1129194849 /nfs/dbraw/zinc/19/48/49/1129194849.db2.gz MHUOKZBMRCGRNO-UHFFFAOYSA-N 0 1 283.730 3.870 20 0 CHADMN CC(C)=C(C)CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000636022216 1129197152 /nfs/dbraw/zinc/19/71/52/1129197152.db2.gz QJVBCNCMDZYXEO-UHFFFAOYSA-N 0 1 287.363 3.971 20 0 CHADMN C[C@H](CN(C)C(=O)c1sccc1CN(C)C)C(C)(C)C ZINC000636430813 1129203245 /nfs/dbraw/zinc/20/32/45/1129203245.db2.gz LVLXUGDKGJNBFA-GFCCVEGCSA-N 0 1 296.480 3.564 20 0 CHADMN Cc1nc(CN(C)CCc2cccs2)nc2ccccc12 ZINC000171102344 1129203747 /nfs/dbraw/zinc/20/37/47/1129203747.db2.gz AJWUMACNCAXCNS-UHFFFAOYSA-N 0 1 297.427 3.674 20 0 CHADMN CCC[C@@H](CN[C@H](C)c1c(F)cccc1Cl)OC ZINC000386227852 1129206198 /nfs/dbraw/zinc/20/61/98/1129206198.db2.gz PHLYMZPDKOKNOT-MNOVXSKESA-N 0 1 273.779 3.945 20 0 CHADMN C[C@H]1C[C@@H](NCc2cccc3ccccc32)c2nccn21 ZINC000294076381 1129213458 /nfs/dbraw/zinc/21/34/58/1129213458.db2.gz LEHUAFODDOUONN-SUMWQHHRSA-N 0 1 277.371 3.832 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2cccc(C3CCC3)c2)[nH]1 ZINC000622060824 1129225214 /nfs/dbraw/zinc/22/52/14/1129225214.db2.gz UJOMZOCDLVYYSU-UHFFFAOYSA-N 0 1 269.348 3.546 20 0 CHADMN Cc1cc(CN)oc1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000637871949 1129233542 /nfs/dbraw/zinc/23/35/42/1129233542.db2.gz WKVRGSGELCLSOC-UHFFFAOYSA-N 0 1 286.375 3.597 20 0 CHADMN Cn1c(CN2CCC[C@H]2c2ccccn2)cc2ccccc21 ZINC000637913526 1129236584 /nfs/dbraw/zinc/23/65/84/1129236584.db2.gz QFGFBKUNDZTBJE-IBGZPJMESA-N 0 1 291.398 3.910 20 0 CHADMN Oc1c(F)cc(CN2Cc3cccc(F)c3C2)cc1Cl ZINC001237987066 1129236771 /nfs/dbraw/zinc/23/67/71/1129236771.db2.gz ACHKDIIZLFXJBS-UHFFFAOYSA-N 0 1 295.716 3.840 20 0 CHADMN Cc1ccc(CN(Cc2ccns2)C(C)C)s1 ZINC000637969705 1129238947 /nfs/dbraw/zinc/23/89/47/1129238947.db2.gz AHZZUCCLFJEMPI-UHFFFAOYSA-N 0 1 266.435 3.924 20 0 CHADMN Cc1ncc([C@H](C)N2CCCC[C@H]2c2ccco2)c(C)n1 ZINC000638073478 1129242762 /nfs/dbraw/zinc/24/27/62/1129242762.db2.gz DKMIKYXHPDWYAN-BBRMVZONSA-N 0 1 285.391 3.975 20 0 CHADMN C[C@H]1CN(CC2CCSCC2)C[C@@H](c2ccsc2)O1 ZINC000638130531 1129244854 /nfs/dbraw/zinc/24/48/54/1129244854.db2.gz GEUZAKAEEDDMHV-WFASDCNBSA-N 0 1 297.489 3.653 20 0 CHADMN Cc1ncc([C@H](C)N2C[C@@H](C)[C@@H]2c2ccccc2)c(C)n1 ZINC000638153195 1129246302 /nfs/dbraw/zinc/24/63/02/1129246302.db2.gz HXTKHTGMRSGSMV-UVBSCNOISA-N 0 1 281.403 3.847 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cccnc2F)cc1 ZINC001138788410 1129255402 /nfs/dbraw/zinc/25/54/02/1129255402.db2.gz CKOYCNIRPNEVEH-MRXNPFEDSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccc(CNCc2cnc(Cl)s2)cc1C ZINC000718186342 1129256672 /nfs/dbraw/zinc/25/66/72/1129256672.db2.gz INCAUUSOLAGQSV-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN CC(C)Oc1cccc(CNCc2cnc(Cl)s2)c1 ZINC000718189754 1129257481 /nfs/dbraw/zinc/25/74/81/1129257481.db2.gz LYWCTFSGZRGECR-UHFFFAOYSA-N 0 1 296.823 3.874 20 0 CHADMN CCc1ccc(NC(=O)[C@@H](C)N2CCCCCC2)cc1F ZINC000622460283 1129260003 /nfs/dbraw/zinc/26/00/03/1129260003.db2.gz MFBZLSPBKCUNNP-CYBMUJFWSA-N 0 1 292.398 3.591 20 0 CHADMN C[C@@H](C(=O)Nc1cc(F)cc(Cl)c1)N1CCCCCC1 ZINC000622444366 1129260544 /nfs/dbraw/zinc/26/05/44/1129260544.db2.gz FVWRDVSBPMOWNF-NSHDSACASA-N 0 1 298.789 3.682 20 0 CHADMN CC(C)c1cc(Cl)ccc1NC(=O)c1coc(CN)c1 ZINC000638586421 1129263384 /nfs/dbraw/zinc/26/33/84/1129263384.db2.gz SMSYDQJDYFRUJF-UHFFFAOYSA-N 0 1 292.766 3.767 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H](c1nccn1C)C1CC1)C1CC1 ZINC000638591938 1129263453 /nfs/dbraw/zinc/26/34/53/1129263453.db2.gz NPBNWLCFFMHDRB-QZTJIDSGSA-N 0 1 295.430 3.921 20 0 CHADMN CC(C)c1cc(Cl)ccc1NC(=O)c1ccc(CN)o1 ZINC000638586162 1129263611 /nfs/dbraw/zinc/26/36/11/1129263611.db2.gz PAELDVORYFTUIY-UHFFFAOYSA-N 0 1 292.766 3.767 20 0 CHADMN Cc1cc(CNC(C)(C)c2cccc(F)c2)sn1 ZINC000638628231 1129264129 /nfs/dbraw/zinc/26/41/29/1129264129.db2.gz WMDVDEWVVLQEEU-UHFFFAOYSA-N 0 1 264.369 3.616 20 0 CHADMN CC[C@@H](CC1CCCC1)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795411094 1129272527 /nfs/dbraw/zinc/27/25/27/1129272527.db2.gz CRWXKJIBKVLLLT-ZDUSSCGKSA-N 0 1 293.411 3.578 20 0 CHADMN CC[C@@H](CC1CCCC1)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795411094 1129272529 /nfs/dbraw/zinc/27/25/29/1129272529.db2.gz CRWXKJIBKVLLLT-ZDUSSCGKSA-N 0 1 293.411 3.578 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)[nH]1 ZINC000282576317 1129273025 /nfs/dbraw/zinc/27/30/25/1129273025.db2.gz AEYVEWQPWBCYFH-AXAPSJFSSA-N 0 1 297.402 3.665 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cc(C3CC3)no1)[C@@H](C)C2 ZINC000638964943 1129275725 /nfs/dbraw/zinc/27/57/25/1129275725.db2.gz SUINPGKORGLAAW-KPZWWZAWSA-N 0 1 282.387 3.884 20 0 CHADMN C[C@@H](c1cccnc1)N(C)[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000639041113 1129278073 /nfs/dbraw/zinc/27/80/73/1129278073.db2.gz RVOAICBESXCLEC-BBRMVZONSA-N 0 1 299.422 3.514 20 0 CHADMN Cc1cc([C@@H](C)NC2CC(c3ccccc3)C2)no1 ZINC000282680191 1129279151 /nfs/dbraw/zinc/27/91/51/1129279151.db2.gz JQIAUFOSPKYQLP-LRVUVFPRSA-N 0 1 256.349 3.580 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N1CCCC2(CCCCC2)C1 ZINC000348083975 1129280307 /nfs/dbraw/zinc/28/03/07/1129280307.db2.gz LGSMADXPZFYWEP-UHFFFAOYSA-N 0 1 297.402 3.749 20 0 CHADMN C[C@]12CCCC[C@H]1CN2Cc1ncccc1C(F)(F)F ZINC000626103881 1129281491 /nfs/dbraw/zinc/28/14/91/1129281491.db2.gz UXACAVCUWPPOCA-FZMZJTMJSA-N 0 1 284.325 3.865 20 0 CHADMN Cc1cc(F)ccc1CN(C)[C@@H](C)c1cnc(C)nc1C ZINC000639107215 1129282376 /nfs/dbraw/zinc/28/23/76/1129282376.db2.gz YZKYTUTWOOUOTO-ZDUSSCGKSA-N 0 1 287.382 3.734 20 0 CHADMN Cc1ccc([C@H](N[C@H]2CS[C@@H](C)C2)c2ccccn2)cc1 ZINC000639119579 1129284056 /nfs/dbraw/zinc/28/40/56/1129284056.db2.gz LUSSJGVWNMBULU-LESCRADOSA-N 0 1 298.455 3.963 20 0 CHADMN CCC[C@H](CN[C@@H](c1ccc(C)cc1)c1ccccn1)OC ZINC000639118263 1129284085 /nfs/dbraw/zinc/28/40/85/1129284085.db2.gz CHCMQOQQPZRQQY-MJGOQNOKSA-N 0 1 298.430 3.884 20 0 CHADMN C(c1noc([C@@H]2CC[C@H]3CCCC[C@@H]3N2)n1)C1CCCC1 ZINC000379120826 1129286012 /nfs/dbraw/zinc/28/60/12/1129286012.db2.gz OASDYPBZFICYAG-ILXRZTDVSA-N 0 1 289.423 3.786 20 0 CHADMN CN(Cc1ccns1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000639198419 1129291176 /nfs/dbraw/zinc/29/11/76/1129291176.db2.gz PTGMQRMBWWNUGA-MNOVXSKESA-N 0 1 278.343 3.696 20 0 CHADMN Cc1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(F)c1 ZINC000639196752 1129291230 /nfs/dbraw/zinc/29/12/30/1129291230.db2.gz LYWUTKXCUZLTFI-KGLIPLIRSA-N 0 1 269.310 3.611 20 0 CHADMN CCSc1cccc(CNCc2cnc(OC)s2)c1 ZINC000639201706 1129292042 /nfs/dbraw/zinc/29/20/42/1129292042.db2.gz ZGXMPUHFAJPSOY-UHFFFAOYSA-N 0 1 294.445 3.554 20 0 CHADMN O=c1ccc(C[N@H+]2CC3(CCC3)[C@H]2c2ccccc2)c[nH]1 ZINC000639207455 1129292894 /nfs/dbraw/zinc/29/28/94/1129292894.db2.gz OQVRXUIXUBCVPH-QGZVFWFLSA-N 0 1 280.371 3.514 20 0 CHADMN Cc1ccnc(N[C@H](c2nccn2C)C2CC2)c1C1CC1 ZINC000639311589 1129301778 /nfs/dbraw/zinc/30/17/78/1129301778.db2.gz OGSDUHIZIOQYMX-HNNXBMFYSA-N 0 1 282.391 3.564 20 0 CHADMN Cc1cccc([C@H](O)CN[C@@H](C)c2c(F)cccc2F)c1 ZINC000090521134 1129303641 /nfs/dbraw/zinc/30/36/41/1129303641.db2.gz TURPVXCNDSCANU-BLLLJJGKSA-N 0 1 291.341 3.657 20 0 CHADMN Cc1nc2ccccc2nc1CN1CC(c2ccccc2)C1 ZINC000639361710 1129306048 /nfs/dbraw/zinc/30/60/48/1129306048.db2.gz OOMLRLWTLJYJJP-UHFFFAOYSA-N 0 1 289.382 3.538 20 0 CHADMN CCCCC(CCCC)n1c(CN)nc2cnccc21 ZINC001258383256 1129307707 /nfs/dbraw/zinc/30/77/07/1129307707.db2.gz KOUSQEYIWKRTQU-UHFFFAOYSA-N 0 1 274.412 3.812 20 0 CHADMN Cc1ccc(CN2CC[C@H](O)C[C@@H]2c2ccccc2)c(F)c1 ZINC000639371358 1129308163 /nfs/dbraw/zinc/30/81/63/1129308163.db2.gz SAPWSPGHORBTDD-PKOBYXMFSA-N 0 1 299.389 3.832 20 0 CHADMN COc1ccc(Cl)cc1CNc1ccc2c[nH]nc2c1 ZINC000037978618 1129308937 /nfs/dbraw/zinc/30/89/37/1129308937.db2.gz AEHOQEHBMCTFOI-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN C[C@@H](c1ccco1)N(C)Cc1cccc2c1CCOC2 ZINC000639462277 1129317310 /nfs/dbraw/zinc/31/73/10/1129317310.db2.gz UJEWAUBJCIONEI-ZDUSSCGKSA-N 0 1 271.360 3.545 20 0 CHADMN C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000639510667 1129321123 /nfs/dbraw/zinc/32/11/23/1129321123.db2.gz HGSDJKKEWNMRMR-CORIIIEPSA-N 0 1 265.784 3.512 20 0 CHADMN CC[C@@H](C)N(C)Cc1coc(-c2cccc(OC)c2)n1 ZINC000639528636 1129321831 /nfs/dbraw/zinc/32/18/31/1129321831.db2.gz YBXDUIJTPLVEAH-GFCCVEGCSA-N 0 1 274.364 3.581 20 0 CHADMN CC(=O)CN[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000639569625 1129324133 /nfs/dbraw/zinc/32/41/33/1129324133.db2.gz OHYUIUXIPYRWQK-CYBMUJFWSA-N 0 1 273.298 3.581 20 0 CHADMN Clc1cccnc1C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639694917 1129329557 /nfs/dbraw/zinc/32/95/57/1129329557.db2.gz OSVCQLKWKDPDIR-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN Clc1cccnc1CN1CCC[C@@H](c2cccnc2)C1 ZINC000639694917 1129329560 /nfs/dbraw/zinc/32/95/60/1129329560.db2.gz OSVCQLKWKDPDIR-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN CC(C)c1n[nH]c(COC(=O)C(C)(C)C2CCCCC2)n1 ZINC000795480762 1129329709 /nfs/dbraw/zinc/32/97/09/1129329709.db2.gz NHCSTXNWHSMDOU-UHFFFAOYSA-N 0 1 293.411 3.578 20 0 CHADMN CC(C)c1nc(COC(=O)C(C)(C)C2CCCCC2)n[nH]1 ZINC000795480762 1129329715 /nfs/dbraw/zinc/32/97/15/1129329715.db2.gz NHCSTXNWHSMDOU-UHFFFAOYSA-N 0 1 293.411 3.578 20 0 CHADMN c1ccc2oc(C[N@H+]3CCC[C@@H](c4cccnc4)C3)nc2c1 ZINC000639697911 1129330218 /nfs/dbraw/zinc/33/02/18/1129330218.db2.gz IJZLHJFSXNEAMX-OAHLLOKOSA-N 0 1 293.370 3.602 20 0 CHADMN c1ccc2oc(CN3CCC[C@@H](c4cccnc4)C3)nc2c1 ZINC000639697911 1129330222 /nfs/dbraw/zinc/33/02/22/1129330222.db2.gz IJZLHJFSXNEAMX-OAHLLOKOSA-N 0 1 293.370 3.602 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)NCc1ncc(Cl)s1 ZINC000719399854 1129332342 /nfs/dbraw/zinc/33/23/42/1129332342.db2.gz GIDXEKPBSHMNLX-VIFPVBQESA-N 0 1 284.787 3.656 20 0 CHADMN CC(=O)c1cccc(NC(=O)c2c(O)cccc2Cl)c1 ZINC000735114344 1129333677 /nfs/dbraw/zinc/33/36/77/1129333677.db2.gz GJPPIUJTLIGHMY-UHFFFAOYSA-N 0 1 289.718 3.501 20 0 CHADMN Fc1ccc(CCN(C/C=C/Cl)C2CC2)cc1 ZINC000735168111 1129333921 /nfs/dbraw/zinc/33/39/21/1129333921.db2.gz HYDYTYMTMACBPO-XLUWADSXSA-N 0 1 253.748 3.585 20 0 CHADMN Cc1ccccc1CCCN1CCC[C@H]1c1ncccn1 ZINC000639843080 1129335737 /nfs/dbraw/zinc/33/57/37/1129335737.db2.gz MDARLWZHMIIOGH-KRWDZBQOSA-N 0 1 281.403 3.555 20 0 CHADMN CC(C)C[C@@H]1CCCCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000639888113 1129337872 /nfs/dbraw/zinc/33/78/72/1129337872.db2.gz SFUYFBBQESIEGN-NSHDSACASA-N 0 1 299.365 3.778 20 0 CHADMN c1ccc(CCCCN2CCC[C@H]2c2ncccn2)cc1 ZINC000639874439 1129338270 /nfs/dbraw/zinc/33/82/70/1129338270.db2.gz YPSAVRZACDIQMB-KRWDZBQOSA-N 0 1 281.403 3.636 20 0 CHADMN c1ccc2c(c1)CC[C@@H]2NCc1nc2c(s1)CCCC2 ZINC000719529068 1129343395 /nfs/dbraw/zinc/34/33/95/1129343395.db2.gz ZZCLHEHXJYRLLW-AWEZNQCLSA-N 0 1 284.428 3.799 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N1CCC(CCF)CC1 ZINC000639989265 1129343756 /nfs/dbraw/zinc/34/37/56/1129343756.db2.gz ANRYHOSXDMORDK-GFCCVEGCSA-N 0 1 276.355 3.960 20 0 CHADMN c1ccc2c(c1)CCC[C@@H]2NCc1nc2c(s1)CCC2 ZINC000719563725 1129345366 /nfs/dbraw/zinc/34/53/66/1129345366.db2.gz YCIBHHPPIMOIHF-AWEZNQCLSA-N 0 1 284.428 3.799 20 0 CHADMN C[C@@H](NCc1nc2c(s1)CCC2)c1cccs1 ZINC000719583994 1129345851 /nfs/dbraw/zinc/34/58/51/1129345851.db2.gz PJUCCCNWLQQKJC-SECBINFHSA-N 0 1 264.419 3.544 20 0 CHADMN Cc1n[nH]c(C(=O)NC(C2CCCC2)C2CCCC2)c1C ZINC000735475128 1129346624 /nfs/dbraw/zinc/34/66/24/1129346624.db2.gz SDYKXQQMSMKQJZ-UHFFFAOYSA-N 0 1 289.423 3.505 20 0 CHADMN CN(CCC1CCCCC1)Cn1cnc(-c2ccccc2)n1 ZINC000735485814 1129346976 /nfs/dbraw/zinc/34/69/76/1129346976.db2.gz KPRMCANQVKDRMD-UHFFFAOYSA-N 0 1 298.434 3.805 20 0 CHADMN CN(C(=O)c1cc(C(F)F)[nH]n1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000640411164 1129357052 /nfs/dbraw/zinc/35/70/52/1129357052.db2.gz PHKMRSKRZGVSMZ-SKDRFNHKSA-N 0 1 299.365 3.634 20 0 CHADMN C[C@@H]1CCC[C@@H](NC(=O)c2n[nH]c3ccc(Cl)cc32)C1 ZINC001124943763 1131368845 /nfs/dbraw/zinc/36/88/45/1131368845.db2.gz QPSSNQOVNQXMDF-MWLCHTKSSA-N 0 1 291.782 3.525 20 0 CHADMN CCC1(C)CCN(Cc2cccc(Cl)n2)CC1 ZINC000091439444 1129360820 /nfs/dbraw/zinc/36/08/20/1129360820.db2.gz YDWXJNWPBFSHKD-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN CCCCC[C@@H](CC)N1CC(Oc2cccnc2)C1 ZINC001258446673 1129368581 /nfs/dbraw/zinc/36/85/81/1129368581.db2.gz TZCGJNZHTVJDTR-CQSZACIVSA-N 0 1 262.397 3.504 20 0 CHADMN Cc1cccc(CN2Cc3ccccc3[C@@H](C)C2)n1 ZINC000736308521 1129371978 /nfs/dbraw/zinc/37/19/78/1129371978.db2.gz PAXPYBQOBNXQKJ-ZDUSSCGKSA-N 0 1 252.361 3.509 20 0 CHADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1CCOC(C)(C)C ZINC000247738002 1129381183 /nfs/dbraw/zinc/38/11/83/1129381183.db2.gz WDUWYCKOBFNCQO-BFYDXBDKSA-N 0 1 291.435 3.652 20 0 CHADMN CC(C)(C)c1nc2c(ncnc2NCCC2=CCCCC2)[nH]1 ZINC001168770828 1129381233 /nfs/dbraw/zinc/38/12/33/1129381233.db2.gz MKXQPUDQHAIGDK-UHFFFAOYSA-N 0 1 299.422 3.953 20 0 CHADMN Oc1cccc(-c2cccc3nc(C(F)(F)F)[nH]c32)c1 ZINC001240925784 1129384284 /nfs/dbraw/zinc/38/42/84/1129384284.db2.gz FBFANZYFCBOGQL-UHFFFAOYSA-N 0 1 278.233 3.954 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@H](C)c1ccc2c(c1)CCO2 ZINC000092327220 1129386490 /nfs/dbraw/zinc/38/64/90/1129386490.db2.gz HVSXSNRTUIXBRC-GHMZBOCLSA-N 0 1 286.375 3.638 20 0 CHADMN CSc1ccc(CN[C@H](CCCO)c2ccccc2)o1 ZINC000641727197 1129389222 /nfs/dbraw/zinc/38/92/22/1129389222.db2.gz VGCKEXTUZKMJLI-OAHLLOKOSA-N 0 1 291.416 3.605 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@@H](C)N(Cn2cc(Cl)cn2)C1 ZINC000738054973 1129389374 /nfs/dbraw/zinc/38/93/74/1129389374.db2.gz ROYYTVDVZNAOMH-ZIAGYGMSSA-N 0 1 289.810 3.680 20 0 CHADMN COc1cccc2c1CC[C@H]2NCc1ccc(SC)o1 ZINC000641736831 1129389693 /nfs/dbraw/zinc/38/96/93/1129389693.db2.gz LTFKRPHCHGLCPD-CQSZACIVSA-N 0 1 289.400 3.787 20 0 CHADMN CSc1ccc(CNc2ccc3c(c2)CN(C)C3)o1 ZINC000641739487 1129389736 /nfs/dbraw/zinc/38/97/36/1129389736.db2.gz FKBJRCDVCHRXNB-UHFFFAOYSA-N 0 1 274.389 3.559 20 0 CHADMN Cc1cccc([C@@H](C)OC(=O)c2cc(-c3ccco3)n[nH]2)c1 ZINC000737339684 1129389793 /nfs/dbraw/zinc/38/97/93/1129389793.db2.gz USDGLCCIFLYGFP-GFCCVEGCSA-N 0 1 296.326 3.896 20 0 CHADMN Cc1ncc([C@H](C)NCc2cc(F)cc(F)c2)s1 ZINC000179131686 1129390722 /nfs/dbraw/zinc/39/07/22/1129390722.db2.gz WPZUSOQJISQIBW-QMMMGPOBSA-N 0 1 268.332 3.581 20 0 CHADMN C[C@@H]1CCCCCN1Cn1c2ccccc2n(C)c1=S ZINC000738221026 1129390752 /nfs/dbraw/zinc/39/07/52/1129390752.db2.gz BGASMAURVPWWJY-CYBMUJFWSA-N 0 1 289.448 3.931 20 0 CHADMN CSc1ccc(CNCc2csc(C)c2C)o1 ZINC000641773689 1129391314 /nfs/dbraw/zinc/39/13/14/1129391314.db2.gz KQVWXKXNKBJWGL-UHFFFAOYSA-N 0 1 267.419 3.970 20 0 CHADMN FC1(F)CCC(Nc2ccc3c[nH]nc3c2)CC1 ZINC000641783482 1129392472 /nfs/dbraw/zinc/39/24/72/1129392472.db2.gz SVSMSHLOKFPRON-UHFFFAOYSA-N 0 1 251.280 3.553 20 0 CHADMN CCN(CC(=O)Nc1ccc(C(C)(C)C)cc1)C1CCC1 ZINC000738311998 1129392854 /nfs/dbraw/zinc/39/28/54/1129392854.db2.gz GTCVDBINAGINKE-UHFFFAOYSA-N 0 1 288.435 3.797 20 0 CHADMN CN1CCc2c(F)cc(-c3cccc(F)c3)cc2C1 ZINC001239536627 1131371824 /nfs/dbraw/zinc/37/18/24/1131371824.db2.gz KNAICGSOQSKFOH-UHFFFAOYSA-N 0 1 259.299 3.620 20 0 CHADMN CCCCc1nc(CN(C)[C@@H](C)C(C)C)cs1 ZINC000642252698 1129411629 /nfs/dbraw/zinc/41/16/29/1129411629.db2.gz NNJHRBDREVNREP-LBPRGKRZSA-N 0 1 254.443 3.962 20 0 CHADMN COc1ccccc1CN(C)CCO[C@H]1CCCC[C@H]1C ZINC000642525097 1129419876 /nfs/dbraw/zinc/41/98/76/1129419876.db2.gz MXNKJVZMOOMROO-WBVHZDCISA-N 0 1 291.435 3.722 20 0 CHADMN CCCCCCNC1(c2noc(C)n2)CCCCC1 ZINC000740875064 1129421899 /nfs/dbraw/zinc/42/18/99/1129421899.db2.gz BMLNOIKVODGMRA-UHFFFAOYSA-N 0 1 265.401 3.707 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2cccc(C)n2)c(C)o1 ZINC000093453480 1129424009 /nfs/dbraw/zinc/42/40/09/1129424009.db2.gz OXIGRANVEXYJSR-QGZVFWFLSA-N 0 1 270.376 3.937 20 0 CHADMN CC(C)CCCCN[C@H](C)c1nc(C(C)(C)C)no1 ZINC000740898641 1129424083 /nfs/dbraw/zinc/42/40/83/1129424083.db2.gz SHBUTQLICCWVOT-GFCCVEGCSA-N 0 1 267.417 3.844 20 0 CHADMN O=C(Nc1ccccc1Cl)c1cc(-c2ccoc2)n[nH]1 ZINC000642708574 1129424921 /nfs/dbraw/zinc/42/49/21/1129424921.db2.gz VFBARQSCNWCKJN-UHFFFAOYSA-N 0 1 287.706 3.575 20 0 CHADMN Cc1cc(CN2CCO[C@@]3(CCc4ccccc43)C2)c(C)o1 ZINC000093638284 1129426371 /nfs/dbraw/zinc/42/63/71/1129426371.db2.gz ZUERIMIEWVICAJ-IBGZPJMESA-N 0 1 297.398 3.570 20 0 CHADMN CCc1c(NC(=O)CCCC2CC2)[nH]nc1-c1ccncc1 ZINC000643173571 1129430906 /nfs/dbraw/zinc/43/09/06/1129430906.db2.gz MGXUUCFZLQRLGD-UHFFFAOYSA-N 0 1 298.390 3.553 20 0 CHADMN Cc1n[nH]c(C2CC2)c1-c1nc(-c2ccc(C)cc2)no1 ZINC001212959066 1129431537 /nfs/dbraw/zinc/43/15/37/1129431537.db2.gz QDCKCGATFVSUDB-UHFFFAOYSA-N 0 1 280.331 3.621 20 0 CHADMN Fc1c(Cl)cccc1CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000179856350 1129433691 /nfs/dbraw/zinc/43/36/91/1129433691.db2.gz LIGAJZZOSUGFRF-LLVKDONJSA-N 0 1 293.773 3.582 20 0 CHADMN CC[C@@H]1CN(Cc2nccc3ccccc32)C[C@@H](CC)O1 ZINC000643294957 1129435933 /nfs/dbraw/zinc/43/59/33/1129435933.db2.gz YNZBSNWIYRFEEJ-HZPDHXFCSA-N 0 1 284.403 3.624 20 0 CHADMN c1cnc2c(c1)CCC[C@H]2Nc1cc2c(cn1)CCCC2 ZINC000643323028 1129438501 /nfs/dbraw/zinc/43/85/01/1129438501.db2.gz COZPITYCBGOIHJ-MRXNPFEDSA-N 0 1 279.387 3.845 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cc(F)cc(F)c1F ZINC001241093765 1129438955 /nfs/dbraw/zinc/43/89/55/1129438955.db2.gz TWPRWOFOSYTFMR-UHFFFAOYSA-N 0 1 278.233 3.656 20 0 CHADMN Cc1ccnc(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000643401858 1129441672 /nfs/dbraw/zinc/44/16/72/1129441672.db2.gz CMDYZVRVRMRQEP-KGLIPLIRSA-N 0 1 286.341 3.943 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000180008679 1129443835 /nfs/dbraw/zinc/44/38/35/1129443835.db2.gz WTXTXKJIBYDEFO-PWSUYJOCSA-N 0 1 269.348 3.876 20 0 CHADMN CC(C)c1nc(CN2C[C@@H](C)CC23CC3)cs1 ZINC001138888220 1129450939 /nfs/dbraw/zinc/45/09/39/1129450939.db2.gz SGGLKBYOSNXZCM-NSHDSACASA-N 0 1 250.411 3.641 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@H]1CCSc2ccccc21 ZINC000180116318 1129451572 /nfs/dbraw/zinc/45/15/72/1129451572.db2.gz WPMURFLCYWDXAI-HZMBPMFUSA-N 0 1 273.405 3.606 20 0 CHADMN Fc1cccc(N[C@@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000644541518 1129469242 /nfs/dbraw/zinc/46/92/42/1129469242.db2.gz YTGFKPXIQFTEEL-CQSZACIVSA-N 0 1 274.343 3.677 20 0 CHADMN CCOC1CCN(Cc2ccc(Cl)c(C)c2)CC1 ZINC000180422365 1129475301 /nfs/dbraw/zinc/47/53/01/1129475301.db2.gz QGHCULOFCKQPRQ-UHFFFAOYSA-N 0 1 267.800 3.649 20 0 CHADMN CC[C@@H](O)CNc1ccc(N2CCCCCC2)cc1C ZINC000644701980 1129476040 /nfs/dbraw/zinc/47/60/40/1129476040.db2.gz WPSYKOBBZILXEU-MRXNPFEDSA-N 0 1 276.424 3.558 20 0 CHADMN C[C@@H](CF)NCc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000644892778 1129479644 /nfs/dbraw/zinc/47/96/44/1129479644.db2.gz XYNUJGATIPVDPH-ZDUSSCGKSA-N 0 1 289.398 3.617 20 0 CHADMN CCc1ccc(CN2CCCc3sccc3C2)nc1 ZINC000645085937 1129486819 /nfs/dbraw/zinc/48/68/19/1129486819.db2.gz OPYNKHXZKKZUTP-UHFFFAOYSA-N 0 1 272.417 3.654 20 0 CHADMN Cc1nc(C(C)C)ccc1CN1CCC[C@@H](OC(F)F)C1 ZINC000645114170 1129487687 /nfs/dbraw/zinc/48/76/87/1129487687.db2.gz GHAPYQOZBCOCPZ-CQSZACIVSA-N 0 1 298.377 3.717 20 0 CHADMN Cc1sccc1CNC(C)(C)C(=O)Nc1ccccc1 ZINC000645154675 1129489106 /nfs/dbraw/zinc/48/91/06/1129489106.db2.gz JLHVSXHKNFVWSJ-UHFFFAOYSA-N 0 1 288.416 3.563 20 0 CHADMN COc1ccc(F)c(CN[C@@H](C)c2sc(C)nc2C)c1 ZINC000645150395 1129489153 /nfs/dbraw/zinc/48/91/53/1129489153.db2.gz GMSJUKCAENEWDC-VIFPVBQESA-N 0 1 294.395 3.758 20 0 CHADMN C[C@@H]1CN(Cc2ccc(F)c(Br)c2)C2(CC2)C1 ZINC001137559512 1131377763 /nfs/dbraw/zinc/37/77/63/1131377763.db2.gz XEXAZMXJMSGWGF-JTQLQIEISA-N 0 1 298.199 3.963 20 0 CHADMN c1ccc2c(c1)OCC[C@H]2CNc1cc2c(cn1)CCC2 ZINC000645212693 1129491625 /nfs/dbraw/zinc/49/16/25/1129491625.db2.gz LUFNSLOFSTUTDW-HNNXBMFYSA-N 0 1 280.371 3.549 20 0 CHADMN CCCCCC[C@](C)(CC)C(=O)NCc1cc(C)[nH]n1 ZINC000742676906 1129493883 /nfs/dbraw/zinc/49/38/83/1129493883.db2.gz XBZAKCOQPLRJBO-INIZCTEOSA-N 0 1 279.428 3.721 20 0 CHADMN FC(F)(F)c1ccccc1-c1ccc2[nH]nnc2c1 ZINC001239545943 1131378666 /nfs/dbraw/zinc/37/86/66/1131378666.db2.gz YWVRPWQEEABQRA-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN FC(F)(F)c1ccccc1-c1ccc2nn[nH]c2c1 ZINC001239545943 1131378670 /nfs/dbraw/zinc/37/86/70/1131378670.db2.gz YWVRPWQEEABQRA-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN CCCCN(Cc1nc(C2CC2)nn1C)C1CCCCC1 ZINC000645785736 1129506770 /nfs/dbraw/zinc/50/67/70/1129506770.db2.gz RJAAFSOPMILFBG-UHFFFAOYSA-N 0 1 290.455 3.627 20 0 CHADMN CCN(CC(=O)Nc1c(C)cccc1C)CC1=CCCC1 ZINC000645829997 1129508668 /nfs/dbraw/zinc/50/86/68/1129508668.db2.gz AAIHDBDWLAXVBS-UHFFFAOYSA-N 0 1 286.419 3.674 20 0 CHADMN Fc1cccc(F)c1CCN1CCC(OC2CCC2)CC1 ZINC000645928711 1129513574 /nfs/dbraw/zinc/51/35/74/1129513574.db2.gz CPZUEYZEIYYSBC-UHFFFAOYSA-N 0 1 295.373 3.541 20 0 CHADMN Cc1ccccc1NC(=O)CNC1(c2ccccc2C)CC1 ZINC000645979459 1129515040 /nfs/dbraw/zinc/51/50/40/1129515040.db2.gz JIWLZZLIIFYHOI-UHFFFAOYSA-N 0 1 294.398 3.521 20 0 CHADMN CCCCOc1ccc(F)cc1C1=CCN(C)CC1 ZINC001241333724 1129518374 /nfs/dbraw/zinc/51/83/74/1129518374.db2.gz WZMLNWQUCHURGX-UHFFFAOYSA-N 0 1 263.356 3.724 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cn2cc[nH]c2=S)cc1C ZINC000743355467 1129520954 /nfs/dbraw/zinc/52/09/54/1129520954.db2.gz DBQQFNACVXKRIK-HNNXBMFYSA-N 0 1 287.432 3.583 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cn2cc[nH]c2=S)cc1 ZINC000743369455 1129521914 /nfs/dbraw/zinc/52/19/14/1129521914.db2.gz CIBJOHONYWMCQJ-HNNXBMFYSA-N 0 1 287.432 3.665 20 0 CHADMN CCCCCC[C@@H](C)CC(=O)N1CCN(CC)[C@H](C)C1 ZINC001137569117 1131379627 /nfs/dbraw/zinc/37/96/27/1131379627.db2.gz RHBYHGJWMBVOKW-HZPDHXFCSA-N 0 1 282.472 3.536 20 0 CHADMN CCC[C@]1(C)CCCN(Cn2cnc(-c3ccccc3)n2)C1 ZINC000743406521 1129523147 /nfs/dbraw/zinc/52/31/47/1129523147.db2.gz MJCJZXJONLOOJM-GOSISDBHSA-N 0 1 298.434 3.805 20 0 CHADMN Cc1nc(C)c(CNC2(c3ccc(C)cc3)CCC2)o1 ZINC000646129926 1129525256 /nfs/dbraw/zinc/52/52/56/1129525256.db2.gz HKMCBGSPKMFPME-UHFFFAOYSA-N 0 1 270.376 3.769 20 0 CHADMN CCc1cc(NC(=O)c2cn[nH]c2C(C)(C)C)ccc1F ZINC000646242434 1129529511 /nfs/dbraw/zinc/52/95/11/1129529511.db2.gz UPXZLJBZFYFOLI-UHFFFAOYSA-N 0 1 289.354 3.661 20 0 CHADMN c1cc2cc(CN3CCOC[C@@H]3CC3CCC3)ccc2cn1 ZINC000646296663 1129531555 /nfs/dbraw/zinc/53/15/55/1129531555.db2.gz LJOKBQYOLLRIDZ-IBGZPJMESA-N 0 1 296.414 3.626 20 0 CHADMN c1ccc2c(c1)ccnc2CN1CCOC[C@@H]1CC1CCC1 ZINC000646296587 1129531650 /nfs/dbraw/zinc/53/16/50/1129531650.db2.gz CQWZZMCXKQZETF-KRWDZBQOSA-N 0 1 296.414 3.626 20 0 CHADMN CC[C@]1(C)CCCN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000743860314 1129541224 /nfs/dbraw/zinc/54/12/24/1129541224.db2.gz ASYCSXXVTPJFHG-GDBMZVCRSA-N 0 1 283.362 3.510 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@@H]1C[C@H](C)Cc2cn[nH]c21 ZINC000646624824 1129541463 /nfs/dbraw/zinc/54/14/63/1129541463.db2.gz AAQMUYIZWDQAHA-IUODEOHRSA-N 0 1 297.402 3.838 20 0 CHADMN Fc1cccc([C@H]2CCN(Cc3cccc(Cl)n3)C2)c1 ZINC000743846444 1129542186 /nfs/dbraw/zinc/54/21/86/1129542186.db2.gz KTBQIUMCXMXFHF-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN CC[C@H](Cc1ccccc1C)c1nc([C@H]2CCCN2)no1 ZINC000647144396 1129551969 /nfs/dbraw/zinc/55/19/69/1129551969.db2.gz WJMFVJKFADYFIP-UKRRQHHQSA-N 0 1 285.391 3.539 20 0 CHADMN C/C(=C/c1nc([C@@H]2CCCN2)no1)c1ccccc1Cl ZINC000647150995 1129552950 /nfs/dbraw/zinc/55/29/50/1129552950.db2.gz SYCITTVWTZGFEK-XPSMFNQNSA-N 0 1 289.766 3.708 20 0 CHADMN Cc1cccc(C2(c3nc([C@@H]4CCCN4)no3)CCCC2)c1 ZINC000647150340 1129553040 /nfs/dbraw/zinc/55/30/40/1129553040.db2.gz CZPZIKCNXAIPEK-HNNXBMFYSA-N 0 1 297.402 3.663 20 0 CHADMN Fc1ccc(-c2cncs2)cc1CN1CCCC1 ZINC001241501078 1129556108 /nfs/dbraw/zinc/55/61/08/1129556108.db2.gz YQINTKNBTLUMBD-UHFFFAOYSA-N 0 1 262.353 3.545 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccnn2CC(C)C)cc1F ZINC000647191710 1129556115 /nfs/dbraw/zinc/55/61/15/1129556115.db2.gz ZBYDLSOBLPDCGP-CQSZACIVSA-N 0 1 289.398 3.837 20 0 CHADMN CC(C)Cn1nccc1CNCc1ccc(C2CC2)cc1 ZINC000647205799 1129556648 /nfs/dbraw/zinc/55/66/48/1129556648.db2.gz SYVPMFLCEHKFKK-UHFFFAOYSA-N 0 1 283.419 3.706 20 0 CHADMN Fc1c(CN2CCCC2)cccc1-c1cncs1 ZINC001241500549 1129558147 /nfs/dbraw/zinc/55/81/47/1129558147.db2.gz PMOUHRVVEBBVSO-UHFFFAOYSA-N 0 1 262.353 3.545 20 0 CHADMN CCOc1ncccc1CN[C@@H](CC(C)C)c1ccncc1 ZINC000647282155 1129563068 /nfs/dbraw/zinc/56/30/68/1129563068.db2.gz CQVJSRIXMJJMKE-KRWDZBQOSA-N 0 1 299.418 3.752 20 0 CHADMN COc1ccc([C@H](CC(C)C)NCc2cc(C)ncn2)cc1 ZINC000647295667 1129565407 /nfs/dbraw/zinc/56/54/07/1129565407.db2.gz RIDGGKNZGGOZIR-SFHVURJKSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1ccccc1C1(N[C@H](C)c2ccccn2)CC1 ZINC000647315888 1129566762 /nfs/dbraw/zinc/56/67/62/1129566762.db2.gz DZJKEAFVGIORGM-CQSZACIVSA-N 0 1 252.361 3.730 20 0 CHADMN COc1ccccc1C1(N[C@@H](C)c2cccc(CO)c2)CC1 ZINC000647329062 1129568858 /nfs/dbraw/zinc/56/88/58/1129568858.db2.gz FHCKRSKQXATLBQ-AWEZNQCLSA-N 0 1 297.398 3.527 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NC1(c2cccc(F)c2)CCC1 ZINC000647330742 1129569620 /nfs/dbraw/zinc/56/96/20/1129569620.db2.gz NPBINGLZNOQVEV-LLVKDONJSA-N 0 1 273.355 3.587 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](CCO)c2ccccc2F)s1 ZINC000647344967 1129572135 /nfs/dbraw/zinc/57/21/35/1129572135.db2.gz BZXZKHCSZXFKSH-DOMZBBRYSA-N 0 1 293.407 3.970 20 0 CHADMN Cc1ccsc1[C@@H](C)N[C@H](CCO)c1ccccc1F ZINC000647345484 1129572946 /nfs/dbraw/zinc/57/29/46/1129572946.db2.gz KBHBBTKDBHYJTA-IUODEOHRSA-N 0 1 293.407 3.970 20 0 CHADMN Cc1ccc(C2(N[C@@H](C)c3nccnc3C)CCC2)cc1 ZINC000647353232 1129573997 /nfs/dbraw/zinc/57/39/97/1129573997.db2.gz UQLMMQUSJKNVFK-HNNXBMFYSA-N 0 1 281.403 3.823 20 0 CHADMN C[C@H](NCc1ccc2ccc(F)c(F)c2n1)c1cccnc1 ZINC000647924548 1129588121 /nfs/dbraw/zinc/58/81/21/1129588121.db2.gz KHAWUIUDMZGWNB-NSHDSACASA-N 0 1 299.324 3.759 20 0 CHADMN Cc1ccc(CN(C)Cc2cn(C)nc2-c2ccc(C)o2)o1 ZINC000647999705 1129591127 /nfs/dbraw/zinc/59/11/27/1129591127.db2.gz YWZHWABRMXNWQH-UHFFFAOYSA-N 0 1 299.374 3.522 20 0 CHADMN CC(C)Cn1nccc1CN1CC2(CCC2)[C@@H]1C(C)C ZINC000648038234 1129592722 /nfs/dbraw/zinc/59/27/22/1129592722.db2.gz RRAHJQRAEWYDER-INIZCTEOSA-N 0 1 275.440 3.550 20 0 CHADMN CC(C)CCc1ccccc1NC(=O)c1ccc(CN)o1 ZINC000648039371 1129592777 /nfs/dbraw/zinc/59/27/77/1129592777.db2.gz FYOJWPZYEYVYRM-UHFFFAOYSA-N 0 1 286.375 3.579 20 0 CHADMN CCOc1c(Cl)cccc1CN1CC[C@@H](OC(C)C)C1 ZINC000648047919 1129593011 /nfs/dbraw/zinc/59/30/11/1129593011.db2.gz NAXVDNQHJQAESS-CQSZACIVSA-N 0 1 297.826 3.738 20 0 CHADMN CC[C@H](C(=O)O[C@@H](C)c1ccc(F)cc1F)N(CC)CC ZINC000745093868 1129594030 /nfs/dbraw/zinc/59/40/30/1129594030.db2.gz IXKZRXXBPRRTFD-XHDPSFHLSA-N 0 1 299.361 3.689 20 0 CHADMN CN(CCC(C)(C)C)Cc1cnc([C@H]2CCCO2)s1 ZINC000648059796 1129594902 /nfs/dbraw/zinc/59/49/02/1129594902.db2.gz KYWPNULINHPWHU-CYBMUJFWSA-N 0 1 282.453 3.863 20 0 CHADMN C[C@H](N[C@H]1CSCc2ccccc21)c1cccnc1 ZINC000037229109 1129597199 /nfs/dbraw/zinc/59/71/99/1129597199.db2.gz BMSIXXQCXZKSNU-LRDDRELGSA-N 0 1 270.401 3.720 20 0 CHADMN C[C@H]1CN(Cc2nccc3ccccc32)CC2(CCCC2)O1 ZINC000648077163 1129597263 /nfs/dbraw/zinc/59/72/63/1129597263.db2.gz BAOBIKUUYVETRX-HNNXBMFYSA-N 0 1 296.414 3.768 20 0 CHADMN C[C@H](NCc1ccc(Cl)cn1)c1ccccc1N(C)C ZINC000182129001 1129597375 /nfs/dbraw/zinc/59/73/75/1129597375.db2.gz RPHNVKITNFROEM-LBPRGKRZSA-N 0 1 289.810 3.652 20 0 CHADMN COc1cc(C)c(-c2ccc3n[nH]c(C)c3c2)c(C)n1 ZINC001241669774 1129601804 /nfs/dbraw/zinc/60/18/04/1129601804.db2.gz WJODSWAGLZJXNV-UHFFFAOYSA-N 0 1 267.332 3.559 20 0 CHADMN C[C@H]1SCC[N@@H+](Cc2cc3cc(Cl)cnc3o2)[C@@H]1C ZINC000648374760 1129604889 /nfs/dbraw/zinc/60/48/89/1129604889.db2.gz WGKZRVVMTVLQAZ-NXEZZACHSA-N 0 1 296.823 3.807 20 0 CHADMN C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc2cccnc2o1 ZINC000648509822 1129609622 /nfs/dbraw/zinc/60/96/22/1129609622.db2.gz CYAPQYUMEFMPNP-PWSUYJOCSA-N 0 1 298.308 3.991 20 0 CHADMN C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1cc2cccnc2o1 ZINC000648509822 1129609624 /nfs/dbraw/zinc/60/96/24/1129609624.db2.gz CYAPQYUMEFMPNP-PWSUYJOCSA-N 0 1 298.308 3.991 20 0 CHADMN C[C@@H]1c2cccn2CCN1Cc1cccc2cnccc21 ZINC000182960106 1129615643 /nfs/dbraw/zinc/61/56/43/1129615643.db2.gz OENJFUFEONVCFN-CQSZACIVSA-N 0 1 277.371 3.613 20 0 CHADMN Oc1ccc(CNCc2cc(C3CC3)ccc2F)cc1 ZINC000648635458 1129617155 /nfs/dbraw/zinc/61/71/55/1129617155.db2.gz PLEDQLPCRIUPCK-UHFFFAOYSA-N 0 1 271.335 3.699 20 0 CHADMN CN(Cc1ccsc1Cl)C[C@](C)(O)c1ccccc1 ZINC000822515524 1131386032 /nfs/dbraw/zinc/38/60/32/1131386032.db2.gz CAIUTVLBLHWVOE-HNNXBMFYSA-N 0 1 295.835 3.741 20 0 CHADMN CCOc1ccccc1-c1ccc2nc(C)[nH]c2c1 ZINC001239559515 1131386031 /nfs/dbraw/zinc/38/60/31/1131386031.db2.gz OXGDQIAUSBLBGN-UHFFFAOYSA-N 0 1 252.317 3.937 20 0 CHADMN C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1n[nH]c2ccccc21 ZINC000648719252 1129623562 /nfs/dbraw/zinc/62/35/62/1129623562.db2.gz PZTKTDHGTQMMAZ-QWRGUYRKSA-N 0 1 297.324 3.726 20 0 CHADMN C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1[nH]nc2ccccc21 ZINC000648719252 1129623570 /nfs/dbraw/zinc/62/35/70/1129623570.db2.gz PZTKTDHGTQMMAZ-QWRGUYRKSA-N 0 1 297.324 3.726 20 0 CHADMN C[C@@H]1[C@H](O)CCCN1Cc1cnc(C2CCCCC2)s1 ZINC000648724004 1129624002 /nfs/dbraw/zinc/62/40/02/1129624002.db2.gz SGPVKYXYUFVILK-IUODEOHRSA-N 0 1 294.464 3.536 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)CN2CCC[C@H]2C)cc1 ZINC000746092601 1129625498 /nfs/dbraw/zinc/62/54/98/1129625498.db2.gz YPKXZNTWZGYQDN-UONOGXRCSA-N 0 1 274.408 3.623 20 0 CHADMN C[C@]1(F)CCN(Cc2cccc3ncccc23)C[C@H]1F ZINC001137624650 1131386685 /nfs/dbraw/zinc/38/66/85/1131386685.db2.gz UFKHYBPNNPIRFY-CVEARBPZSA-N 0 1 276.330 3.507 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1c(C)oc2ccccc21 ZINC000184720048 1129630937 /nfs/dbraw/zinc/63/09/37/1129630937.db2.gz VQKNFHMJYLOPNT-SNVBAGLBSA-N 0 1 269.348 3.624 20 0 CHADMN O=C(C=Cc1ccc(Cl)cc1)Nc1ccc2nc[nH]c2c1 ZINC000253458795 1129633090 /nfs/dbraw/zinc/63/30/90/1129633090.db2.gz LNGWBYZWBBXEGJ-FPYGCLRLSA-N 0 1 297.745 3.868 20 0 CHADMN COc1ccc2nc(SCc3ccc(C)cn3)[nH]c2c1 ZINC000196097259 1129650339 /nfs/dbraw/zinc/65/03/39/1129650339.db2.gz UDCMNWSMWNDKHX-UHFFFAOYSA-N 0 1 285.372 3.567 20 0 CHADMN ClC1(Cl)C[C@@H]1CCN1CCc2sccc2C1 ZINC000822569888 1131388240 /nfs/dbraw/zinc/38/82/40/1131388240.db2.gz CXOPNDSPZYLJCP-JTQLQIEISA-N 0 1 276.232 3.690 20 0 CHADMN Cc1ccc(C[C@@H](C)N(C)Cc2cc3n(n2)CCCC3)cc1 ZINC000649537981 1129656021 /nfs/dbraw/zinc/65/60/21/1129656021.db2.gz XRSHVJCPZZCVCA-MRXNPFEDSA-N 0 1 297.446 3.591 20 0 CHADMN Cc1nc(C)c(CN[C@H](c2ccccc2)C(C)C)o1 ZINC000389292563 1129656507 /nfs/dbraw/zinc/65/65/07/1129656507.db2.gz NYEKBDOLFIRYIO-INIZCTEOSA-N 0 1 258.365 3.778 20 0 CHADMN CC(C)Oc1ccnc(CN[C@@H](c2cccnc2)C2CC2)c1 ZINC000649582332 1129660123 /nfs/dbraw/zinc/66/01/23/1129660123.db2.gz APWQJXNDXSKXQQ-GOSISDBHSA-N 0 1 297.402 3.505 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cn1cccnc1=S ZINC000738241011 1129668550 /nfs/dbraw/zinc/66/85/50/1129668550.db2.gz FPPUEZBPCHVTBI-HNNXBMFYSA-N 0 1 285.416 3.579 20 0 CHADMN CC[C@H]1CN(CCCCC(F)(F)F)[C@@H](CC)CO1 ZINC000649718756 1129672963 /nfs/dbraw/zinc/67/29/63/1129672963.db2.gz FYIQCWPEAARVTI-RYUDHWBXSA-N 0 1 267.335 3.608 20 0 CHADMN Cc1ccnc(CN[C@H](C)c2ccc(F)c(C)c2)c1 ZINC000649729446 1129673866 /nfs/dbraw/zinc/67/38/66/1129673866.db2.gz CJRMXUJFQXTYRB-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN CC[C@H]1CN(Cc2cc(C)nc3ccccc23)[C@H](C)CO1 ZINC000649734487 1129674008 /nfs/dbraw/zinc/67/40/08/1129674008.db2.gz XOTLTNXXTURALL-ZBFHGGJFSA-N 0 1 284.403 3.543 20 0 CHADMN Cc1cnc(CN2CCCC[C@@H]2Cc2ccccc2F)o1 ZINC000649794224 1129677382 /nfs/dbraw/zinc/67/73/82/1129677382.db2.gz DKOAHUNMDCPTAV-OAHLLOKOSA-N 0 1 288.366 3.719 20 0 CHADMN CCCCc1nc(CNC2(C3CCC3)CC2)cs1 ZINC000649808222 1129679218 /nfs/dbraw/zinc/67/92/18/1129679218.db2.gz XBYUJACFIZXVSL-UHFFFAOYSA-N 0 1 264.438 3.908 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CCc2ccccc2[C@@H](C)C1 ZINC000649832985 1129680912 /nfs/dbraw/zinc/68/09/12/1129680912.db2.gz AVPFSHOCQDMGKL-QWHCGFSZSA-N 0 1 297.402 3.670 20 0 CHADMN Cc1cc([C@H]2CCCN2CC[C@@H]2CC2(Cl)Cl)on1 ZINC000822583951 1131390223 /nfs/dbraw/zinc/39/02/23/1131390223.db2.gz XORORMZQKOOOBA-GHMZBOCLSA-N 0 1 289.206 3.704 20 0 CHADMN Cc1ccc(CN(C)CCSc2ccc(F)cc2)nc1 ZINC000649898865 1129684459 /nfs/dbraw/zinc/68/44/59/1129684459.db2.gz FMTKIPTVUGAHRB-UHFFFAOYSA-N 0 1 290.407 3.753 20 0 CHADMN Oc1cc(F)ccc1-c1cc(-c2ccccc2)ncn1 ZINC001242217844 1129688169 /nfs/dbraw/zinc/68/81/69/1129688169.db2.gz LFESQTJGKPQAOR-UHFFFAOYSA-N 0 1 266.275 3.655 20 0 CHADMN Cc1coc(CN[C@H](Cc2ccccc2)CC(C)C)n1 ZINC001169051481 1129692606 /nfs/dbraw/zinc/69/26/06/1129692606.db2.gz WIYQVQZIZIMSQK-INIZCTEOSA-N 0 1 272.392 3.730 20 0 CHADMN COc1c(F)cccc1Nc1ccc2[nH]c(C)nc2c1 ZINC001213073346 1129693069 /nfs/dbraw/zinc/69/30/69/1129693069.db2.gz NOTHFLLHNCGUNG-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)NCC3CC(C)C3)n2)cc1 ZINC001169057369 1129693166 /nfs/dbraw/zinc/69/31/66/1129693166.db2.gz YTBSVGSGPUBHEZ-OWYJLGKBSA-N 0 1 299.418 3.996 20 0 CHADMN CNC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC001206000351 1129701882 /nfs/dbraw/zinc/70/18/82/1129701882.db2.gz NCAMAUVCMARZAL-UHFFFAOYSA-N 0 1 293.370 3.858 20 0 CHADMN Cc1cc(N(C)C)nc(N[C@@H]2C[C@@H](C)c3ccccc32)n1 ZINC001169363621 1129720138 /nfs/dbraw/zinc/72/01/38/1129720138.db2.gz IYVSHHFSAPKALE-IAQYHMDHSA-N 0 1 282.391 3.511 20 0 CHADMN CC1(NCc2sccc2Br)CC(F)(F)C1 ZINC000720938381 1129720776 /nfs/dbraw/zinc/72/07/76/1129720776.db2.gz WVGQFDRZSTZZRV-UHFFFAOYSA-N 0 1 296.180 3.788 20 0 CHADMN C[C@H]1C[C@H](Nc2cccn3cncc23)c2ccccc21 ZINC001169378693 1129722708 /nfs/dbraw/zinc/72/27/08/1129722708.db2.gz MDNWAOSOTIGKNP-LRDDRELGSA-N 0 1 263.344 3.995 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](CC(C)C)c1ccccc1 ZINC000650806304 1129722716 /nfs/dbraw/zinc/72/27/16/1129722716.db2.gz WJNGPKNXHDOPLC-HOTGVXAUSA-N 0 1 277.408 3.611 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(-c2ccc(C)cc2)c1 ZINC000650806611 1129722815 /nfs/dbraw/zinc/72/28/15/1129722815.db2.gz DZPDGPSSRHMHFS-GOSISDBHSA-N 0 1 297.398 3.957 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@@H](CC(C)C)c1ccccc1 ZINC000650806305 1129723490 /nfs/dbraw/zinc/72/34/90/1129723490.db2.gz WJNGPKNXHDOPLC-HZPDHXFCSA-N 0 1 277.408 3.611 20 0 CHADMN Cc1nccc(N[C@@H]2C[C@@H](C)c3ccccc32)c1F ZINC001169382270 1129723735 /nfs/dbraw/zinc/72/37/35/1129723735.db2.gz WXHSYXHTDODHMN-MEBBXXQBSA-N 0 1 256.324 3.611 20 0 CHADMN CCCC(C)(C)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000651194927 1129732022 /nfs/dbraw/zinc/73/20/22/1129732022.db2.gz VPCIJJALGLZEQJ-CQSZACIVSA-N 0 1 294.439 3.605 20 0 CHADMN Cc1occc1CN[C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000651205851 1129732736 /nfs/dbraw/zinc/73/27/36/1129732736.db2.gz JVEOJVFADRWTBR-ZDUSSCGKSA-N 0 1 295.386 3.839 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(Cl)c(O)c1 ZINC001212591368 1129737129 /nfs/dbraw/zinc/73/71/29/1129737129.db2.gz ISJPNUCGNTUPEV-UHFFFAOYSA-N 0 1 291.713 3.884 20 0 CHADMN CCOCc1ccc(CNCc2cc3cnccc3o2)cc1 ZINC000651674816 1129743836 /nfs/dbraw/zinc/74/38/36/1129743836.db2.gz COYRFYGRFJNJBU-UHFFFAOYSA-N 0 1 296.370 3.654 20 0 CHADMN FC(F)(F)CC1CCN(Cc2cc3cnccc3o2)CC1 ZINC000651797382 1129748592 /nfs/dbraw/zinc/74/85/92/1129748592.db2.gz NOFREPBNJQYTKG-UHFFFAOYSA-N 0 1 298.308 3.992 20 0 CHADMN CC(C)OCc1nc([C@H](C)N[C@H]2CCCCC[C@H]2C)no1 ZINC000651815020 1129749768 /nfs/dbraw/zinc/74/97/68/1129749768.db2.gz SYLGJYVVFKZLAC-RDBSUJKOSA-N 0 1 295.427 3.614 20 0 CHADMN COc1ccc(CN[C@@H]2CCc3c2cccc3Cl)nc1 ZINC000766808978 1129751353 /nfs/dbraw/zinc/75/13/53/1129751353.db2.gz YLSTYRNLRHMKPX-MRXNPFEDSA-N 0 1 288.778 3.521 20 0 CHADMN C[C@@H](O)[C@@H](NCc1ccccc1C1CC1)c1ccccc1F ZINC000651892658 1129751412 /nfs/dbraw/zinc/75/14/12/1129751412.db2.gz FZUJXGQFOQUCRO-BFUOFWGJSA-N 0 1 299.389 3.915 20 0 CHADMN COc1ccc(OC(F)F)c(CN2CCC23CCCC3)c1 ZINC000651873540 1129751518 /nfs/dbraw/zinc/75/15/18/1129751518.db2.gz LKJTZSCVDWHRCU-UHFFFAOYSA-N 0 1 297.345 3.815 20 0 CHADMN CCc1cccc(CNCc2cc(OC)ccc2F)c1 ZINC000652033047 1129755658 /nfs/dbraw/zinc/75/56/58/1129755658.db2.gz YEBHTVNAPKPHHY-UHFFFAOYSA-N 0 1 273.351 3.687 20 0 CHADMN Cc1ccc(F)c(CN(C)C[C@@H]2C[C@H]3CCC[C@H]3O2)c1 ZINC001169822373 1129759411 /nfs/dbraw/zinc/75/94/11/1129759411.db2.gz SVOZSDQLENVOEX-UKPHBRMFSA-N 0 1 277.383 3.524 20 0 CHADMN Cc1ccccc1C1(N[C@@H]2C[C@@H](C)n3ccnc32)CCC1 ZINC000652216788 1129760151 /nfs/dbraw/zinc/76/01/51/1129760151.db2.gz GNNGKUPODFFFJU-GDBMZVCRSA-N 0 1 281.403 3.866 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H]2C[C@H]2c2ccccc2C)cs1 ZINC000652239847 1129760720 /nfs/dbraw/zinc/76/07/20/1129760720.db2.gz GSVBGDQIWIBUQV-BYCMXARLSA-N 0 1 272.417 3.967 20 0 CHADMN CC[C@H](N[C@H](c1ccccc1F)[C@@H](C)O)c1ccccc1 ZINC000652230605 1129760991 /nfs/dbraw/zinc/76/09/91/1129760991.db2.gz QQVAXYXJKUNUAG-BVGQSLNGSA-N 0 1 287.378 3.989 20 0 CHADMN O=C([O-])CC1(C[N@@H+](Cc2ccoc2)C2CCCCC2)CC1 ZINC000652422576 1129764934 /nfs/dbraw/zinc/76/49/34/1129764934.db2.gz HAJOJJSLMHGCND-UHFFFAOYSA-N 0 1 291.391 3.669 20 0 CHADMN CCC(C)(C)[C@H]1CCC[N@H+]1CCC(C)(C)CC(=O)[O-] ZINC000652432611 1129765018 /nfs/dbraw/zinc/76/50/18/1129765018.db2.gz SMJSWYDZWHCQII-CYBMUJFWSA-N 0 1 269.429 3.778 20 0 CHADMN C[C@H]1CN(CCCc2ccccc2Cl)C[C@@H](C2CC2)O1 ZINC001169891152 1129765104 /nfs/dbraw/zinc/76/51/04/1129765104.db2.gz VZSSYPUOHSMNPS-GUYCJALGSA-N 0 1 293.838 3.772 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@@]12C[C@@H]1CCCC2 ZINC000867012688 1129766307 /nfs/dbraw/zinc/76/63/07/1129766307.db2.gz IXIPKYIJJORNIS-XPTSAGLGSA-N 0 1 265.740 3.564 20 0 CHADMN Cc1nc2ccc(CSC3=N[C@@H](C)CS3)cc2[nH]1 ZINC000767394120 1129792021 /nfs/dbraw/zinc/79/20/21/1129792021.db2.gz KWWJXKABTCKGKS-QMMMGPOBSA-N 0 1 277.418 3.596 20 0 CHADMN C[C@@H](N[C@@H]1CCC1(C)C)c1nnc(-c2cccs2)o1 ZINC000653746488 1129793959 /nfs/dbraw/zinc/79/39/59/1129793959.db2.gz WELAZGGCYXVNEA-MWLCHTKSSA-N 0 1 277.393 3.637 20 0 CHADMN CCCc1nc(CN[C@H](CC)[C@H]2CCCCO2)cs1 ZINC000653880916 1129800383 /nfs/dbraw/zinc/80/03/83/1129800383.db2.gz RQVHIFYWMJOPFY-ZIAGYGMSSA-N 0 1 282.453 3.533 20 0 CHADMN CC(C)C[C@H](C)N[C@H](Cc1ccccc1)c1ncco1 ZINC000653911765 1129801012 /nfs/dbraw/zinc/80/10/12/1129801012.db2.gz AAUMNHIPAAFLTM-GOEBONIOSA-N 0 1 272.392 3.983 20 0 CHADMN Cc1ccc(Cl)cc1-c1noc([C@H]2C[C@@H](C)CCN2)n1 ZINC000822803703 1131398576 /nfs/dbraw/zinc/39/85/76/1131398576.db2.gz OJYQUSDLCNFYOP-TVQRCGJNSA-N 0 1 291.782 3.759 20 0 CHADMN CCOC(CN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C)OCC ZINC000767823007 1129816081 /nfs/dbraw/zinc/81/60/81/1129816081.db2.gz PVDRTLJJSPKQFY-STQMWFEESA-N 0 1 295.398 3.532 20 0 CHADMN CN(C)Cc1cccc(-c2ccc(F)c(F)c2)c1F ZINC001239586040 1131399790 /nfs/dbraw/zinc/39/97/90/1131399790.db2.gz NYAMLLYMHPZWBV-UHFFFAOYSA-N 0 1 265.278 3.833 20 0 CHADMN Cc1ccc2nc(NC(=O)C3CC(C(C)(C)C)C3)[nH]c2c1 ZINC001129384638 1129831737 /nfs/dbraw/zinc/83/17/37/1129831737.db2.gz LFPSXAITRVTRPA-UHFFFAOYSA-N 0 1 285.391 3.882 20 0 CHADMN O=C(CN1CCCCCCC1)c1c[nH]c2ccccc12 ZINC000014915720 1129834999 /nfs/dbraw/zinc/83/49/99/1129834999.db2.gz PWOXMYQZNJVJSF-UHFFFAOYSA-N 0 1 270.376 3.617 20 0 CHADMN Cc1cc(CN2CCC[C@H](C(F)(F)F)C2)c(C)o1 ZINC000768169820 1129837706 /nfs/dbraw/zinc/83/77/06/1129837706.db2.gz YGGLWNYZMJGBNH-LBPRGKRZSA-N 0 1 261.287 3.671 20 0 CHADMN Clc1scc(CNCCOC2CCC2)c1Cl ZINC000381481575 1129839313 /nfs/dbraw/zinc/83/93/13/1129839313.db2.gz DVHVAXDUIBLGKR-UHFFFAOYSA-N 0 1 280.220 3.714 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cccc(Br)n1 ZINC000381440625 1129839537 /nfs/dbraw/zinc/83/95/37/1129839537.db2.gz ZFUDMIHKAWGGAJ-LLVKDONJSA-N 0 1 283.213 3.609 20 0 CHADMN Cc1ccccc1[C@@H](C)OC(=O)c1cccc2[nH]ncc21 ZINC000768184977 1129840018 /nfs/dbraw/zinc/84/00/18/1129840018.db2.gz IXOGOUWKNZEZMF-GFCCVEGCSA-N 0 1 280.327 3.789 20 0 CHADMN Cc1ccc(N2CCN(Cc3cccs3)CC2)cc1C ZINC000768241205 1129843946 /nfs/dbraw/zinc/84/39/46/1129843946.db2.gz NJYXVFUARFDXKS-UHFFFAOYSA-N 0 1 286.444 3.687 20 0 CHADMN Cc1ccc(N(C)C(=O)c2cc(Cl)ccc2O)cc1C ZINC001626156519 1129846727 /nfs/dbraw/zinc/84/67/27/1129846727.db2.gz AQFAJZWIFWIEJF-UHFFFAOYSA-N 0 1 289.762 3.939 20 0 CHADMN O=C(Nc1[nH]nc2c1cccc2Cl)C(F)=C1CCC1 ZINC001137691709 1131401946 /nfs/dbraw/zinc/40/19/46/1131401946.db2.gz QSNNGHJKGQOBNH-UHFFFAOYSA-N 0 1 279.702 3.562 20 0 CHADMN CCCCn1nc(C)c(CN(C)[C@@H](C)CC)c1Cl ZINC000768337892 1129852109 /nfs/dbraw/zinc/85/21/09/1129852109.db2.gz ITIMLLSJRXOJTD-NSHDSACASA-N 0 1 271.836 3.875 20 0 CHADMN c1oc(C2CC2)nc1CN(C1CC1)C1CCCCC1 ZINC000768337661 1129852649 /nfs/dbraw/zinc/85/26/49/1129852649.db2.gz ISLYFKQZVMOBOQ-UHFFFAOYSA-N 0 1 260.381 3.849 20 0 CHADMN CC[C@H](C)c1ccc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000768375547 1129855179 /nfs/dbraw/zinc/85/51/79/1129855179.db2.gz IZCZKYHXTBFBOG-STQMWFEESA-N 0 1 299.418 3.593 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2cccc(C)c2C)no1 ZINC000768428277 1129856181 /nfs/dbraw/zinc/85/61/81/1129856181.db2.gz GMNHAVCMXISPRB-KRWDZBQOSA-N 0 1 270.376 3.937 20 0 CHADMN Cc1ccc2c(ccc(C)c2-c2nc(C3(N)CCC3)no2)c1 ZINC000900008551 1129857258 /nfs/dbraw/zinc/85/72/58/1129857258.db2.gz LKVFEDGYVSRHHW-UHFFFAOYSA-N 0 1 293.370 3.845 20 0 CHADMN CC(C)c1ccc([C@H](NC(=O)Cc2cnc[nH]2)C(C)C)cc1 ZINC000900056234 1129859614 /nfs/dbraw/zinc/85/96/14/1129859614.db2.gz PJTHGGZJPBHFPC-GOSISDBHSA-N 0 1 299.418 3.589 20 0 CHADMN Clc1ccc2c(c1)C[C@H](NCc1nc3ccccc3o1)C2 ZINC000800399184 1129869767 /nfs/dbraw/zinc/86/97/67/1129869767.db2.gz ZKIKGTNGLYPKBN-CQSZACIVSA-N 0 1 298.773 3.738 20 0 CHADMN CCOC(=O)c1cc2ccc(C=Cc3ccccc3)nc2[nH]1 ZINC001239591536 1131403419 /nfs/dbraw/zinc/40/34/19/1131403419.db2.gz DZHHVPBBKOFSNU-CSKARUKUSA-N 0 1 292.338 3.910 20 0 CHADMN CC(C)c1cccc(C(C)C)c1NC(=O)Cc1cnc[nH]1 ZINC000900307682 1129876626 /nfs/dbraw/zinc/87/66/26/1129876626.db2.gz QOWKRGCWLZDZLJ-UHFFFAOYSA-N 0 1 285.391 3.838 20 0 CHADMN N[C@H](c1cn(CCCC2CCCCC2)nn1)c1ccccc1 ZINC000900629214 1129888809 /nfs/dbraw/zinc/88/88/09/1129888809.db2.gz SMYNKGADKISJKG-SFHVURJKSA-N 0 1 298.434 3.687 20 0 CHADMN Cc1ccc2nc(CNc3cccc(Cl)n3)[nH]c2c1 ZINC000800855503 1129893892 /nfs/dbraw/zinc/89/38/92/1129893892.db2.gz JBHIQUYLDGXBGV-UHFFFAOYSA-N 0 1 272.739 3.532 20 0 CHADMN C[C@@H](CCc1ccc(C(F)(F)F)cc1)NCc1ccon1 ZINC000800973246 1129901339 /nfs/dbraw/zinc/90/13/39/1129901339.db2.gz XHAHKKIGCBRXEU-NSHDSACASA-N 0 1 298.308 3.804 20 0 CHADMN C[C@H]1CCCCCN1Cc1c(Cl)nc2ccccn21 ZINC000769404587 1129906644 /nfs/dbraw/zinc/90/66/44/1129906644.db2.gz LNYGCUOMWKVLKZ-LBPRGKRZSA-N 0 1 277.799 3.752 20 0 CHADMN C/C(Cl)=C/C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000901150669 1129910315 /nfs/dbraw/zinc/91/03/15/1129910315.db2.gz AZYSQGVHGPDSDL-GHXNOFRVSA-N 0 1 292.810 3.739 20 0 CHADMN CC1(C)CCN1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000769445752 1129910732 /nfs/dbraw/zinc/91/07/32/1129910732.db2.gz IZMVLXUWHSDUOI-UHFFFAOYSA-N 0 1 289.810 3.569 20 0 CHADMN C[C@H]1c2ccc(F)cc2CCN1Cc1ccc2c(c1)COC2 ZINC000769469113 1129912118 /nfs/dbraw/zinc/91/21/18/1129912118.db2.gz SWWHAJDOKPVMJU-ZDUSSCGKSA-N 0 1 297.373 3.975 20 0 CHADMN CCCCn1nc(C)c(CN2C[C@@H](C)C[C@@H]2C)c1Cl ZINC000769469826 1129912705 /nfs/dbraw/zinc/91/27/05/1129912705.db2.gz GNLMCDBARSPTPG-RYUDHWBXSA-N 0 1 283.847 3.875 20 0 CHADMN CC[C@@H](C)CN(CC)Cc1c(Cl)nc(Cl)n1C ZINC000769538849 1129916592 /nfs/dbraw/zinc/91/65/92/1129916592.db2.gz YGVOJEGZMCMDIW-SECBINFHSA-N 0 1 278.227 3.595 20 0 CHADMN Cc1ccccc1NC(=O)c1c(O)cccc1Cl ZINC000769573790 1129917754 /nfs/dbraw/zinc/91/77/54/1129917754.db2.gz FVLRONCSQJGOOJ-UHFFFAOYSA-N 0 1 261.708 3.606 20 0 CHADMN COc1ccc(C)cc1NC(=O)c1c(O)cccc1Cl ZINC000769597113 1129918482 /nfs/dbraw/zinc/91/84/82/1129918482.db2.gz DSSJOVHPYBRCDA-UHFFFAOYSA-N 0 1 291.734 3.615 20 0 CHADMN O=C(Nc1ccc(F)c(F)c1)c1c(O)cccc1Cl ZINC000769594603 1129918573 /nfs/dbraw/zinc/91/85/73/1129918573.db2.gz USNGJADGXXNOSI-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN Cc1cccc(C)c1-c1nc(C(C)(C)C)nc2nc[nH]c21 ZINC001239596585 1131407632 /nfs/dbraw/zinc/40/76/32/1131407632.db2.gz ZXKADNSFWICUON-UHFFFAOYSA-N 0 1 280.375 3.886 20 0 CHADMN Cc1cccc(C)c1NC(=O)c1c(O)cccc1Cl ZINC000769922604 1129930446 /nfs/dbraw/zinc/93/04/46/1129930446.db2.gz GYSCAEJKKBSLHZ-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1sccc1C ZINC000769871698 1129930539 /nfs/dbraw/zinc/93/05/39/1129930539.db2.gz CFCJHYGVVDIVCS-SNVBAGLBSA-N 0 1 264.394 3.766 20 0 CHADMN O=C([O-])[C@@]1(F)CC[N@@H+](CC2CCC3(CCCCC3)CC2)C1 ZINC000901518503 1129933266 /nfs/dbraw/zinc/93/32/66/1129933266.db2.gz LMKGEWSDJXYPQI-QGZVFWFLSA-N 0 1 297.414 3.626 20 0 CHADMN CCOc1cccc([C@H](C)N[C@H](CO)c2ccsc2)c1 ZINC000769987271 1129934912 /nfs/dbraw/zinc/93/49/12/1129934912.db2.gz KWNPGRYYTBCRCY-BLLLJJGKSA-N 0 1 291.416 3.531 20 0 CHADMN CCC[C@@H](C[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000901542973 1129935027 /nfs/dbraw/zinc/93/50/27/1129935027.db2.gz UFCQJXSHOBVTFG-UWWQBHOKSA-N 0 1 289.419 3.613 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000901592148 1129938068 /nfs/dbraw/zinc/93/80/68/1129938068.db2.gz OFCWQVGHRFDMAA-WMLDXEAASA-N 0 1 287.403 3.809 20 0 CHADMN CC(C)C[C@@H](C[N@H+](CC(=O)[O-])CC(C)C)c1ccccc1 ZINC000901589489 1129938099 /nfs/dbraw/zinc/93/80/99/1129938099.db2.gz SVWZXVNYUZTMCN-KRWDZBQOSA-N 0 1 291.435 3.859 20 0 CHADMN CC[N@H+](CCC(=O)[O-])CC[C@@H](C)CCC=C(C)C ZINC000901605216 1129938733 /nfs/dbraw/zinc/93/87/33/1129938733.db2.gz OFLCTUFQZOCYJF-AWEZNQCLSA-N 0 1 255.402 3.556 20 0 CHADMN CC(C)C[N@@H+](CCCC1CCCCC1)CCC(=O)[O-] ZINC000901595533 1129938749 /nfs/dbraw/zinc/93/87/49/1129938749.db2.gz NNHZVNUXFLQKNO-UHFFFAOYSA-N 0 1 269.429 3.780 20 0 CHADMN C[C@H]1CCC[C@H](C[N@@H+](CC(=O)[O-])Cc2ccc(F)cc2)C1 ZINC000901624428 1129939723 /nfs/dbraw/zinc/93/97/23/1129939723.db2.gz TZFKNLRNMVJLOV-ZFWWWQNUSA-N 0 1 293.382 3.539 20 0 CHADMN CC(C)[C@H](C[N@@H+](CCC(=O)[O-])CC1CC1)c1ccccc1 ZINC000901615604 1129939748 /nfs/dbraw/zinc/93/97/48/1129939748.db2.gz XJEWSSPQIHSWEH-KRWDZBQOSA-N 0 1 289.419 3.613 20 0 CHADMN CC[C@H]1CCC[C@H](C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000901645841 1129940613 /nfs/dbraw/zinc/94/06/13/1129940613.db2.gz DSGPOBWRXUHWKH-KBPBESRZSA-N 0 1 287.403 3.917 20 0 CHADMN CC[C@H]1CCC[C@@H](C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000901645843 1129940839 /nfs/dbraw/zinc/94/08/39/1129940839.db2.gz DSGPOBWRXUHWKH-UONOGXRCSA-N 0 1 287.403 3.917 20 0 CHADMN Cc1cc(N(C)C)ccc1NCc1[nH]nc2ccccc21 ZINC000770482332 1129949558 /nfs/dbraw/zinc/94/95/58/1129949558.db2.gz RZVRGZNVYOVXMG-UHFFFAOYSA-N 0 1 280.375 3.549 20 0 CHADMN c1ccc2c(c1)n[nH]c2CNc1ccc(N2CCCC2)cc1 ZINC000770480986 1129949966 /nfs/dbraw/zinc/94/99/66/1129949966.db2.gz UCTWZGNZJFCSFL-UHFFFAOYSA-N 0 1 292.386 3.775 20 0 CHADMN CCO[C@H]1C[C@H](Nc2ccc(CN(C)C)c(F)c2)C1(C)C ZINC000770520336 1129950384 /nfs/dbraw/zinc/95/03/84/1129950384.db2.gz MVWVXWOCLQMFCX-HOTGVXAUSA-N 0 1 294.414 3.503 20 0 CHADMN Fc1cccc2c1C[C@@H]([N@H+]1CC[C@H](C(F)(F)F)C1)CC2 ZINC001170999790 1131410133 /nfs/dbraw/zinc/41/01/33/1131410133.db2.gz DCSXEXRMBFIOOB-RYUDHWBXSA-N 0 1 287.300 3.567 20 0 CHADMN C[C@@H]1CN(CCSC(C)(C)C)C[C@H](c2ccccc2)O1 ZINC000801916558 1129958590 /nfs/dbraw/zinc/95/85/90/1129958590.db2.gz XQCMAVVHSJGBSU-GDBMZVCRSA-N 0 1 293.476 3.980 20 0 CHADMN CC(C)(C)SCCN1CCc2c(F)cccc2C1 ZINC000801936857 1129961407 /nfs/dbraw/zinc/96/14/07/1129961407.db2.gz XRAINYCMACPATN-UHFFFAOYSA-N 0 1 267.413 3.716 20 0 CHADMN Oc1c(F)cccc1-c1nc(C2CCCCC2)no1 ZINC000901909840 1129965165 /nfs/dbraw/zinc/96/51/65/1129965165.db2.gz DHVIURZXDKIFES-UHFFFAOYSA-N 0 1 262.284 3.629 20 0 CHADMN CCCC[C@@H](CC)CC[N@H+]1CC2(CCC2)[C@@](F)(C(=O)[O-])C1 ZINC000901909877 1129965205 /nfs/dbraw/zinc/96/52/05/1129965205.db2.gz DRRVFQUVARIALR-PBHICJAKSA-N 0 1 299.430 3.872 20 0 CHADMN CC[C@H]1CCCC[C@H]1C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000901913279 1129965452 /nfs/dbraw/zinc/96/54/52/1129965452.db2.gz GSNNWBIEKBPLCY-OVWQWFNUSA-N 0 1 293.451 3.780 20 0 CHADMN CC1=C[C@H](C)C[C@H](C[N@H+]2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)C1 ZINC000901917883 1129965874 /nfs/dbraw/zinc/96/58/74/1129965874.db2.gz MXWOYELERUIQJV-MBGYTDRXSA-N 0 1 291.435 3.556 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000901965987 1129968366 /nfs/dbraw/zinc/96/83/66/1129968366.db2.gz AHPMCHQKVJXJAF-GJZGRUSLSA-N 0 1 267.413 3.698 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000901978002 1129969337 /nfs/dbraw/zinc/96/93/37/1129969337.db2.gz CQIDQNQILLPCKV-WMZOPIPTSA-N 0 1 289.419 3.682 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000901986983 1129969988 /nfs/dbraw/zinc/96/99/88/1129969988.db2.gz BZAQDGCCNDMSTI-WBAXXEDZSA-N 0 1 299.414 3.663 20 0 CHADMN CCc1ccc(C)nc1NCc1ccc(OC)c(F)c1 ZINC001461625980 1129970513 /nfs/dbraw/zinc/97/05/13/1129970513.db2.gz CKQNVLIIUKTEAU-UHFFFAOYSA-N 0 1 274.339 3.712 20 0 CHADMN CCCC[C@@H](CC)CC[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000902008131 1129971111 /nfs/dbraw/zinc/97/11/11/1129971111.db2.gz TUGOMLBVQGTJDV-KGLIPLIRSA-N 0 1 255.402 3.532 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000902006509 1129971214 /nfs/dbraw/zinc/97/12/14/1129971214.db2.gz GFFSSYMXXRIMSI-NXOAAHMSSA-N 0 1 293.451 3.944 20 0 CHADMN Cc1cc(C)c(/C=C/C[N@@H+](CC(=O)[O-])C2CCC2)cc1C ZINC000902044632 1129974033 /nfs/dbraw/zinc/97/40/33/1129974033.db2.gz HNWXNSAJOXWXSE-AATRIKPKSA-N 0 1 287.403 3.564 20 0 CHADMN C[N@@H+](CCC(C)(C)C(=O)[O-])Cc1ccc(C(C)(C)C)cc1 ZINC000902063000 1129977059 /nfs/dbraw/zinc/97/70/59/1129977059.db2.gz QTZRLKMXKYFIJI-UHFFFAOYSA-N 0 1 291.435 3.917 20 0 CHADMN CNc1ccccc1CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000902078670 1129978466 /nfs/dbraw/zinc/97/84/66/1129978466.db2.gz QCQGXBURNPTKBZ-IUODEOHRSA-N 0 1 270.376 3.735 20 0 CHADMN CNc1ccccc1CN[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000902127929 1129982669 /nfs/dbraw/zinc/98/26/69/1129982669.db2.gz ZPUQWQSTYBPDBL-RBUKOAKNSA-N 0 1 296.414 3.738 20 0 CHADMN CC(C)C[N@@H+](C)Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000902195130 1129987167 /nfs/dbraw/zinc/98/71/67/1129987167.db2.gz GEXNTJGQVVLAMF-UHFFFAOYSA-N 0 1 287.359 3.733 20 0 CHADMN CC(C)(CC[N@H+]1CCCC2(CCCCC2)C1)C(=O)[O-] ZINC000902253287 1129994061 /nfs/dbraw/zinc/99/40/61/1129994061.db2.gz PHAWVHYHMZSFGK-UHFFFAOYSA-N 0 1 267.413 3.534 20 0 CHADMN Cc1cn[nH]c1CSCc1ccc(OC(F)F)cc1 ZINC000902308418 1129999204 /nfs/dbraw/zinc/99/92/04/1129999204.db2.gz WOVAVFBRIVNPLQ-UHFFFAOYSA-N 0 1 284.331 3.753 20 0 CHADMN CCNc1ccccc1CNCc1ccc(OC)cc1F ZINC000902311316 1129999310 /nfs/dbraw/zinc/99/93/10/1129999310.db2.gz DQTYKOHMJCMULX-UHFFFAOYSA-N 0 1 288.366 3.556 20 0 CHADMN C[N@@H+](CCC1CC1)Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000902411216 1130007644 /nfs/dbraw/zinc/00/76/44/1130007644.db2.gz RGTBGKVEOJIAMO-UHFFFAOYSA-N 0 1 299.370 3.877 20 0 CHADMN C[N@@H+](CCC1CC1)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902411543 1130007896 /nfs/dbraw/zinc/00/78/96/1130007896.db2.gz VAJSZCNEGHDSMS-UHFFFAOYSA-N 0 1 299.370 3.877 20 0 CHADMN Cc1ccc([C@@H]2CC[N@@H+](CCC(C)(C)C(=O)[O-])C2)c(C)c1 ZINC000902451363 1130012607 /nfs/dbraw/zinc/01/26/07/1130012607.db2.gz RBKLABBATFVWFI-OAHLLOKOSA-N 0 1 289.419 3.594 20 0 CHADMN CCc1oc(C[N@@H+](C)C2CCCCCC2)cc1C(=O)[O-] ZINC000902508513 1130018454 /nfs/dbraw/zinc/01/84/54/1130018454.db2.gz NXSPYMXBWJUQNM-UHFFFAOYSA-N 0 1 279.380 3.695 20 0 CHADMN CC(C)C[C@H]1CCCCC[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000902525265 1130019584 /nfs/dbraw/zinc/01/95/84/1130019584.db2.gz VRUASPSQSACMGJ-CQSZACIVSA-N 0 1 269.429 3.778 20 0 CHADMN CC(C)c1ccc(-c2ccc(CN(C)C)cn2)cc1 ZINC001239625262 1130019965 /nfs/dbraw/zinc/01/99/65/1130019965.db2.gz LJWQQAFKUXCCEX-UHFFFAOYSA-N 0 1 254.377 3.934 20 0 CHADMN CNc1ccc(C)cc1CNCc1ccc2c(n1)CCCC2 ZINC000902531409 1130020667 /nfs/dbraw/zinc/02/06/67/1130020667.db2.gz VCMSJGWXNZHJQP-UHFFFAOYSA-N 0 1 295.430 3.600 20 0 CHADMN CCc1cc(CN[C@@H](CC)c2cc(C)ccc2OC)n[nH]1 ZINC000772452988 1130022112 /nfs/dbraw/zinc/02/21/12/1130022112.db2.gz CGGWPRQUQOCDKJ-INIZCTEOSA-N 0 1 287.407 3.530 20 0 CHADMN CCc1cc(CN[C@@H](CC)c2cc(C)ccc2OC)[nH]n1 ZINC000772452988 1130022115 /nfs/dbraw/zinc/02/21/15/1130022115.db2.gz CGGWPRQUQOCDKJ-INIZCTEOSA-N 0 1 287.407 3.530 20 0 CHADMN CCn1cnc(CNCc2ccc(C)c3ccccc23)c1 ZINC000902597258 1130030052 /nfs/dbraw/zinc/03/00/52/1130030052.db2.gz UKQYHRKOKUMAIH-UHFFFAOYSA-N 0 1 279.387 3.654 20 0 CHADMN COc1cc(OC)c(-c2ccc3[nH]c(C)nc3c2)c(OC)c1 ZINC001239647961 1130030954 /nfs/dbraw/zinc/03/09/54/1130030954.db2.gz HIHQTYZWVWVUPO-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN CC[C@@H](NCc1cn(CC)cn1)c1cc(C)ccc1C ZINC000902625392 1130031563 /nfs/dbraw/zinc/03/15/63/1130031563.db2.gz BGLAOTPTAPWVDO-QGZVFWFLSA-N 0 1 271.408 3.761 20 0 CHADMN CNc1ccccc1CNCc1cc(C2CC2)ccc1OC ZINC000902642337 1130033178 /nfs/dbraw/zinc/03/31/78/1130033178.db2.gz GQCYHMNZYMGQGP-UHFFFAOYSA-N 0 1 296.414 3.904 20 0 CHADMN CCNc1ccccc1CNCc1nccc2c1CCCC2 ZINC000902652775 1130034228 /nfs/dbraw/zinc/03/42/28/1130034228.db2.gz WYUPSAHXJSYZCK-UHFFFAOYSA-N 0 1 295.430 3.682 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CNc1nc2cc(C)ccc2[nH]1 ZINC000902645315 1130034356 /nfs/dbraw/zinc/03/43/56/1130034356.db2.gz SYZAGFRFXLWORM-UHFFFAOYSA-N 0 1 297.406 3.878 20 0 CHADMN CCn1cnc(CN[C@H](c2ccc(OC)cc2)C2CCC2)c1 ZINC000902657250 1130034940 /nfs/dbraw/zinc/03/49/40/1130034940.db2.gz UHDTXPYLXZHEEF-SFHVURJKSA-N 0 1 299.418 3.543 20 0 CHADMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)[C@@H]1CC1(C)C ZINC000785497362 1130036693 /nfs/dbraw/zinc/03/66/93/1130036693.db2.gz SGCUSARIACPFIZ-FZMZJTMJSA-N 0 1 264.388 3.734 20 0 CHADMN CN(C)Cc1cccc(-c2cc(F)cc(F)c2)c1F ZINC001239658785 1130037075 /nfs/dbraw/zinc/03/70/75/1130037075.db2.gz YOVBEPHDEJUKQR-UHFFFAOYSA-N 0 1 265.278 3.833 20 0 CHADMN COc1ccc(C(C)C)cc1-c1nccc2[nH]cnc21 ZINC001239658576 1130037326 /nfs/dbraw/zinc/03/73/26/1130037326.db2.gz UMQBLYUIPUCURS-UHFFFAOYSA-N 0 1 267.332 3.757 20 0 CHADMN C[C@@H](NCc1cnc(-c2ccco2)s1)c1ccc[nH]1 ZINC000785510106 1130038390 /nfs/dbraw/zinc/03/83/90/1130038390.db2.gz BZOQPPYYABNWRP-SNVBAGLBSA-N 0 1 273.361 3.582 20 0 CHADMN COc1ccc2c(c1)nccc2-c1ccc2cncn2c1 ZINC001239677844 1130049170 /nfs/dbraw/zinc/04/91/70/1130049170.db2.gz LATMPVLFESBCES-UHFFFAOYSA-N 0 1 275.311 3.558 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)O[C@@H](C)C(C)C ZINC000772675336 1130071003 /nfs/dbraw/zinc/07/10/03/1130071003.db2.gz WZZODDBCJDQKKC-ZDUSSCGKSA-N 0 1 286.375 3.895 20 0 CHADMN CCOC(=O)c1cc2ccc(-c3ccc(F)cc3C)[nH]c-2n1 ZINC001239737036 1130080627 /nfs/dbraw/zinc/08/06/27/1130080627.db2.gz RPDKGLQXCWMASR-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN CCc1ccccc1-c1ccc(CCN2CCOCC2)cc1 ZINC001239744946 1130086339 /nfs/dbraw/zinc/08/63/39/1130086339.db2.gz IROAQBOXFQTOFH-UHFFFAOYSA-N 0 1 295.426 3.791 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)OC/C=C/c1ccccc1 ZINC000786342514 1130087891 /nfs/dbraw/zinc/08/78/91/1130087891.db2.gz QBQQEIGXHFUIJG-JXMROGBWSA-N 0 1 284.359 3.712 20 0 CHADMN Nc1[nH]c2cc(-c3cc(Cl)c([O-])c(Cl)c3)ccc2[nH+]1 ZINC001242854079 1130092547 /nfs/dbraw/zinc/09/25/47/1130092547.db2.gz OQIJBTJXKRGERE-UHFFFAOYSA-N 0 1 294.141 3.825 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(C(F)(F)F)cn2)ccn1 ZINC000903004725 1130099585 /nfs/dbraw/zinc/09/95/85/1130099585.db2.gz GRHHRSFLCSCHQN-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@H]2N[C@@H](c1nncn1C)C(C)C ZINC000903063887 1130107784 /nfs/dbraw/zinc/10/77/84/1130107784.db2.gz INFNTMZQQCWXQP-FRFSOERESA-N 0 1 298.434 3.659 20 0 CHADMN Fc1ccccc1[C@H](NCc1ccoc1)C1CCOCC1 ZINC000903075619 1130108317 /nfs/dbraw/zinc/10/83/17/1130108317.db2.gz AQVAFWXMDZBPJD-QGZVFWFLSA-N 0 1 289.350 3.676 20 0 CHADMN CC(C)Oc1ccc(CN[C@@H](c2ccccn2)C2CC2)cn1 ZINC000903072923 1130108849 /nfs/dbraw/zinc/10/88/49/1130108849.db2.gz MLKUOTXGDZVGFC-GOSISDBHSA-N 0 1 297.402 3.505 20 0 CHADMN CC(C)(C)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000786594444 1130109397 /nfs/dbraw/zinc/10/93/97/1130109397.db2.gz PBSMVCYWCBRHBW-INIZCTEOSA-N 0 1 286.419 3.549 20 0 CHADMN CC(C)(C)c1ccc(NC(=O)[C@@H]2CCCN2C2CC2)cc1 ZINC000786594444 1130109401 /nfs/dbraw/zinc/10/94/01/1130109401.db2.gz PBSMVCYWCBRHBW-INIZCTEOSA-N 0 1 286.419 3.549 20 0 CHADMN CC[C@H](N[C@H](C)c1cn(C)nn1)c1cccc2ccccc21 ZINC000903095114 1130111418 /nfs/dbraw/zinc/11/14/18/1130111418.db2.gz UDHMHJQWKCLACF-DYVFJYSZSA-N 0 1 294.402 3.770 20 0 CHADMN CC(C)C(N)=NOC/C=C\c1ccc(Cl)cc1 ZINC000786748485 1130114538 /nfs/dbraw/zinc/11/45/38/1130114538.db2.gz OCGUDKCLYWPTLQ-ARJAWSKDSA-N 0 1 252.745 3.508 20 0 CHADMN C[C@H](N[C@@H]1CCc2cccc3cccc1c32)c1ncc[nH]1 ZINC000903108031 1130114569 /nfs/dbraw/zinc/11/45/69/1130114569.db2.gz KVGQLYVYOBKJGN-BLLLJJGKSA-N 0 1 277.371 3.901 20 0 CHADMN CO[C@@H]1CCC[C@@H]1N[C@H](c1cccc(C)c1)c1ccccn1 ZINC000903130828 1130117405 /nfs/dbraw/zinc/11/74/05/1130117405.db2.gz OUKQMIAUVZEHRY-QXAKKESOSA-N 0 1 296.414 3.637 20 0 CHADMN CCOC(CCNc1ccnc2cc(F)ccc21)OCC ZINC000786823043 1130118873 /nfs/dbraw/zinc/11/88/73/1130118873.db2.gz FFTZFDQYLFHPEV-UHFFFAOYSA-N 0 1 292.354 3.575 20 0 CHADMN COc1cccc(-c2cc3[nH]ccc3c(C)n2)c1OC ZINC001239814828 1130120196 /nfs/dbraw/zinc/12/01/96/1130120196.db2.gz GRUGNUFUOKISRX-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN COc1cccc(-c2nc(C)cc3[nH]ccc32)c1OC ZINC001239814225 1130120468 /nfs/dbraw/zinc/12/04/68/1130120468.db2.gz BZQZXGQFYNLYPG-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN c1c[nH]c([C@H](NCC[C@@H]2C[C@H]2C2CC2)c2ccccc2)n1 ZINC000903161836 1130121211 /nfs/dbraw/zinc/12/12/11/1130121211.db2.gz PKMYKXKLNLIOOW-IXDOHACOSA-N 0 1 281.403 3.525 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1cscc1C ZINC000786927703 1130123274 /nfs/dbraw/zinc/12/32/74/1130123274.db2.gz QEGNKQZPSWTRKB-SNVBAGLBSA-N 0 1 264.394 3.766 20 0 CHADMN Cc1cscc1CN[C@H](C)c1ccc(Cl)nc1 ZINC000786924267 1130123326 /nfs/dbraw/zinc/12/33/26/1130123326.db2.gz ADRRYOYAOPGWFG-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN CC(C)[C@@H](NCc1nccc2c1CCCC2)c1ccccn1 ZINC000903180925 1130124440 /nfs/dbraw/zinc/12/44/40/1130124440.db2.gz BDKJVCYBYOCJTN-LJQANCHMSA-N 0 1 295.430 3.842 20 0 CHADMN COc1ccc([C@@H](C)NCc2nccc3c2CCCC3)cc1 ZINC000903185549 1130125802 /nfs/dbraw/zinc/12/58/02/1130125802.db2.gz VFZOMKZBISEEBO-CQSZACIVSA-N 0 1 296.414 3.820 20 0 CHADMN Cn1ccc2c1ccnc2-c1ccnc2ccccc21 ZINC001239847489 1130133138 /nfs/dbraw/zinc/13/31/38/1130133138.db2.gz OCKUVTKYQWUEBX-UHFFFAOYSA-N 0 1 259.312 3.789 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cncnc2C)cc1C ZINC000903234909 1130133384 /nfs/dbraw/zinc/13/33/84/1130133384.db2.gz RWVRXFDNYSMDMI-OCCSQVGLSA-N 0 1 285.391 3.514 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccnc2ccccc21 ZINC001239851499 1130133565 /nfs/dbraw/zinc/13/35/65/1130133565.db2.gz NSMYZOOZJVYZPR-UHFFFAOYSA-N 0 1 275.311 3.787 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@H](C)c1ccc2c(c1)CCO2 ZINC000903238601 1130134262 /nfs/dbraw/zinc/13/42/62/1130134262.db2.gz QBRIEDKAGUZNNM-KGLIPLIRSA-N 0 1 296.414 3.991 20 0 CHADMN CCCN(Cc1ccc(OC)cc1)Cc1ccc(F)cn1 ZINC000787198193 1130139281 /nfs/dbraw/zinc/13/92/81/1130139281.db2.gz SWOWVQILTYBGTF-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2OC[C@H]1F)C(C)(C)C(F)F ZINC000903266585 1130140543 /nfs/dbraw/zinc/14/05/43/1130140543.db2.gz PTYDJNYYEQUGGN-NDMJEZRESA-N 0 1 287.325 3.728 20 0 CHADMN Fc1ccc(CN2CCC(C3CCCC3)CC2)nc1 ZINC000787252492 1130140734 /nfs/dbraw/zinc/14/07/34/1130140734.db2.gz FDLCPVWYUZEZKH-UHFFFAOYSA-N 0 1 262.372 3.623 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(C(C)(C)O)cc1)c1cncs1 ZINC000903311070 1130150832 /nfs/dbraw/zinc/15/08/32/1130150832.db2.gz MNAPGJSFAGUEEG-VXGBXAGGSA-N 0 1 290.432 3.782 20 0 CHADMN COc1ccc2c(c1F)CC[C@@H]2N[C@H](C)c1cncs1 ZINC000903311100 1130150949 /nfs/dbraw/zinc/15/09/49/1130150949.db2.gz NHKUVHZOTGWHJP-SKDRFNHKSA-N 0 1 292.379 3.629 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncs1)c1ccc(C(C)(C)O)cc1 ZINC000903311067 1130151064 /nfs/dbraw/zinc/15/10/64/1130151064.db2.gz MNAPGJSFAGUEEG-NEPJUHHUSA-N 0 1 290.432 3.782 20 0 CHADMN CC(C)CNC(=O)c1ccc(-c2nccc3[nH]ccc32)cc1 ZINC001239909428 1130151218 /nfs/dbraw/zinc/15/12/18/1130151218.db2.gz CTSUTKUTDJULNO-UHFFFAOYSA-N 0 1 293.370 3.616 20 0 CHADMN CC(=O)Nc1ccc([C@H](C)N[C@H](C)c2cncs2)cc1 ZINC000903312671 1130151784 /nfs/dbraw/zinc/15/17/84/1130151784.db2.gz XQLJRNQAXJBMSK-WDEREUQCSA-N 0 1 289.404 3.513 20 0 CHADMN Cc1cccnc1[C@H](N[C@@H]1CCCn2nccc21)C(C)(C)C ZINC000903328100 1130156029 /nfs/dbraw/zinc/15/60/29/1130156029.db2.gz FLBUHLLXUDUXHU-PBHICJAKSA-N 0 1 298.434 3.798 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@@H](c1ncccc1C)C(C)(C)C ZINC000903328808 1130157107 /nfs/dbraw/zinc/15/71/07/1130157107.db2.gz OMRMXSUJKYFLRK-WBMJQRKESA-N 0 1 286.423 3.860 20 0 CHADMN Cc1cccnc1[C@H](N[C@@H](C)c1ccnnc1)C(C)(C)C ZINC000903329975 1130157471 /nfs/dbraw/zinc/15/74/71/1130157471.db2.gz STFIKICGJYVVSM-BBRMVZONSA-N 0 1 284.407 3.618 20 0 CHADMN CCc1cccc(COC(=O)c2c(F)cc(O)cc2F)c1 ZINC000787711932 1130159911 /nfs/dbraw/zinc/15/99/11/1130159911.db2.gz WBQHDOWWSWOCDH-UHFFFAOYSA-N 0 1 292.281 3.590 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@H](c1ccccn1)C1CC1)CC2 ZINC000903338715 1130161362 /nfs/dbraw/zinc/16/13/62/1130161362.db2.gz IWGBTKHUXYIRJK-WMZOPIPTSA-N 0 1 282.362 3.949 20 0 CHADMN Cc1cc(CN[C@H]2CCc3c2cccc3O)cc(Cl)n1 ZINC000787771850 1130162998 /nfs/dbraw/zinc/16/29/98/1130162998.db2.gz FYEYOUHGFCOEHG-AWEZNQCLSA-N 0 1 288.778 3.526 20 0 CHADMN C[C@@H](N[C@@H](c1ccccn1)C1CC1)c1cccc(O)c1 ZINC000903341083 1130163323 /nfs/dbraw/zinc/16/33/23/1130163323.db2.gz VVCFHDOVQKBOLQ-SJKOYZFVSA-N 0 1 268.360 3.589 20 0 CHADMN CC[C@H](C)c1ccc([C@@H](C)NCc2cn(C)cn2)cc1 ZINC000903351797 1130165194 /nfs/dbraw/zinc/16/51/94/1130165194.db2.gz PBRGEVOARDZXGS-UONOGXRCSA-N 0 1 271.408 3.784 20 0 CHADMN C[C@@H](NC[C@H]1CCCC(C)(C)O1)c1cccnc1Cl ZINC000903352985 1130165918 /nfs/dbraw/zinc/16/59/18/1130165918.db2.gz XZOMMGSNRBELNB-VXGBXAGGSA-N 0 1 282.815 3.733 20 0 CHADMN Fc1cccc2c1SCC[C@H]2NC/C=C\Cl ZINC000903442352 1130177750 /nfs/dbraw/zinc/17/77/50/1130177750.db2.gz NLYXEFHNRXGJAO-WPPTZLTKSA-N 0 1 257.761 3.705 20 0 CHADMN CC(C)Oc1ccc(-c2cc(-n3ccnc3)ccn2)cc1 ZINC001239958494 1130171020 /nfs/dbraw/zinc/17/10/20/1130171020.db2.gz MUUUTEQQELZIET-UHFFFAOYSA-N 0 1 279.343 3.722 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000903407330 1130171536 /nfs/dbraw/zinc/17/15/36/1130171536.db2.gz GHMFMGPOMFILMY-PBHICJAKSA-N 0 1 289.419 3.570 20 0 CHADMN Cc1nc2cncc(-c3ccc(OC(C)C)cc3)c2[nH]1 ZINC001239959056 1130171817 /nfs/dbraw/zinc/17/18/17/1130171817.db2.gz FCFRPYARLORATA-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN Cc1nc2c(cncc2-c2ccc(OC(C)C)cc2)[nH]1 ZINC001239959056 1130171821 /nfs/dbraw/zinc/17/18/21/1130171821.db2.gz FCFRPYARLORATA-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc2ccccc21 ZINC000903407971 1130172012 /nfs/dbraw/zinc/17/20/12/1130172012.db2.gz BURVOAGTCINWSH-OAHLLOKOSA-N 0 1 291.778 3.788 20 0 CHADMN CC(C)Oc1ccc(-c2cc3[nH]nnc3cc2F)cc1 ZINC001239960776 1130172913 /nfs/dbraw/zinc/17/29/13/1130172913.db2.gz XNNPALHFXCNAPG-UHFFFAOYSA-N 0 1 271.295 3.551 20 0 CHADMN C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1cc(O)cc(F)c1 ZINC000903427888 1130175403 /nfs/dbraw/zinc/17/54/03/1130175403.db2.gz AWDYUWDVUZNGAJ-PIGZYNQJSA-N 0 1 286.350 3.728 20 0 CHADMN Cl/C=C/CN[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000903445808 1130177657 /nfs/dbraw/zinc/17/76/57/1130177657.db2.gz WAKQQSKCMGBWKP-HYJLXUOHSA-N 0 1 287.794 3.592 20 0 CHADMN CCCCNC(=O)c1ccc(-c2nccc3[nH]ccc32)cc1 ZINC001239983331 1130181955 /nfs/dbraw/zinc/18/19/55/1130181955.db2.gz MYIZGVUYBKJHME-UHFFFAOYSA-N 0 1 293.370 3.760 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000903594043 1130183508 /nfs/dbraw/zinc/18/35/08/1130183508.db2.gz BOWUAZKOKFSYHN-NXNVCVFFSA-N 0 1 289.419 3.611 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000903593977 1130183746 /nfs/dbraw/zinc/18/37/46/1130183746.db2.gz AONFOUMKYXLQKC-QILLFSRXSA-N 0 1 289.419 3.539 20 0 CHADMN C[C@H]1CC[N@@H+](CCCCCC(=O)[O-])[C@H]1c1ccccc1 ZINC000903625077 1130184379 /nfs/dbraw/zinc/18/43/79/1130184379.db2.gz FKWWGYFLQOHTSD-WMLDXEAASA-N 0 1 275.392 3.715 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000903600027 1130184521 /nfs/dbraw/zinc/18/45/21/1130184521.db2.gz BQJYQWHFYXBVDI-YOEHRIQHSA-N 0 1 289.419 3.570 20 0 CHADMN COc1cc(F)ccc1-c1cc2[nH]ccc2c(C)n1 ZINC001239995744 1130185283 /nfs/dbraw/zinc/18/52/83/1130185283.db2.gz SCCJFOFYMUBFON-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cnc(Cl)cn2)cc1 ZINC000788479251 1130188928 /nfs/dbraw/zinc/18/89/28/1130188928.db2.gz OTQSYMCFEQEABC-GFCCVEGCSA-N 0 1 275.783 3.631 20 0 CHADMN S=c1nc2[nH]cnc(-c3cccc4cnccc43)c-2s1 ZINC001240007411 1130190176 /nfs/dbraw/zinc/19/01/76/1130190176.db2.gz AKXUUAPLZDUCBU-UHFFFAOYSA-N 0 1 296.380 3.590 20 0 CHADMN CCCC[C@H](COC)N[C@H]1COCc2cccc(Cl)c21 ZINC000788600469 1130197527 /nfs/dbraw/zinc/19/75/27/1130197527.db2.gz DHSCUOWKUDZMNQ-HIFRSBDPSA-N 0 1 297.826 3.706 20 0 CHADMN COc1ccc(-c2ccc3nc[nH]c3c2)cc1Cl ZINC001240031280 1130199821 /nfs/dbraw/zinc/19/98/21/1130199821.db2.gz KDUDPMLEIWOEDC-UHFFFAOYSA-N 0 1 258.708 3.892 20 0 CHADMN COc1ccc(-c2cccc3cncn32)cc1Cl ZINC001240032568 1130200647 /nfs/dbraw/zinc/20/06/47/1130200647.db2.gz TUFCZHYRMLGPKU-UHFFFAOYSA-N 0 1 258.708 3.663 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])c2cccnc12)C1CCCCC1 ZINC000903880725 1130207405 /nfs/dbraw/zinc/20/74/05/1130207405.db2.gz AZXCCAGZEMIIHO-UHFFFAOYSA-N 0 1 298.386 3.698 20 0 CHADMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903894296 1130208290 /nfs/dbraw/zinc/20/82/90/1130208290.db2.gz SKNCUHFAHLETNU-TZMCWYRMSA-N 0 1 298.386 3.553 20 0 CHADMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903893395 1130208714 /nfs/dbraw/zinc/20/87/14/1130208714.db2.gz DEFGGBYMLXPWNH-QWHCGFSZSA-N 0 1 298.386 3.553 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCC2CCCCC2)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903951461 1130211412 /nfs/dbraw/zinc/21/14/12/1130211412.db2.gz KGTFGLGNIWTEQH-ORIJERBGSA-N 0 1 281.440 3.776 20 0 CHADMN Cc1cccc(C)c1C[N@@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]1C ZINC000903951713 1130212618 /nfs/dbraw/zinc/21/26/18/1130212618.db2.gz VAZFRHHADNMLMN-QSJFSLAZSA-N 0 1 289.419 3.623 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCC(C)(C)C2CC2)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903952701 1130212919 /nfs/dbraw/zinc/21/29/19/1130212919.db2.gz LMYGPJBCCCMQKK-OSFYFWSMSA-N 0 1 281.440 3.632 20 0 CHADMN CCc1cccc(C[N@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)c1 ZINC000903954885 1130213207 /nfs/dbraw/zinc/21/32/07/1130213207.db2.gz ZVHOZOGZMVRXNE-ZOMKSWQUSA-N 0 1 289.419 3.569 20 0 CHADMN Cc1nn(C)c(C)c1-c1cccc2nc(C(F)(F)F)[nH]c21 ZINC001240146578 1130224304 /nfs/dbraw/zinc/22/43/04/1130224304.db2.gz GNYHRDWYQXBOFT-UHFFFAOYSA-N 0 1 294.280 3.599 20 0 CHADMN CC[C@H](C)CN(CC)CN1C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000748264026 1130226361 /nfs/dbraw/zinc/22/63/61/1130226361.db2.gz ZNNSTJIZSUWFNA-UXLLHSPISA-N 0 1 288.435 3.532 20 0 CHADMN Cc1ncc2c(n1)CCC[C@H]2N[C@H]1CCc2ccc(F)cc21 ZINC000748270855 1130226585 /nfs/dbraw/zinc/22/65/85/1130226585.db2.gz ZHFTWIKBDIKIFY-MSOLQXFVSA-N 0 1 297.377 3.579 20 0 CHADMN CN(Cc1nc(C(C)(C)C)no1)C1CCCCCCC1 ZINC000748805676 1130248348 /nfs/dbraw/zinc/24/83/48/1130248348.db2.gz OZZHOGWHJGAQKG-UHFFFAOYSA-N 0 1 279.428 3.912 20 0 CHADMN Brc1ccsc1CN1CCCC12CC2 ZINC001139309079 1130248561 /nfs/dbraw/zinc/24/85/61/1130248561.db2.gz FNUJGXHVWQJMDX-UHFFFAOYSA-N 0 1 272.211 3.639 20 0 CHADMN CC(C)c1cnc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)o1 ZINC000789452074 1130252765 /nfs/dbraw/zinc/25/27/65/1130252765.db2.gz PRBUHHSODYGQHR-AGIUHOORSA-N 0 1 250.386 3.664 20 0 CHADMN c1ccc(Oc2cccc(-c3cc4c(nn3)CNC4)c2)cc1 ZINC001240272301 1130254435 /nfs/dbraw/zinc/25/44/35/1130254435.db2.gz ZFCCFALBRTXXBO-UHFFFAOYSA-N 0 1 289.338 3.539 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OC[C@@H](C)C1CC1 ZINC000789602251 1130265115 /nfs/dbraw/zinc/26/51/15/1130265115.db2.gz NOPWGYHVPORJIX-LLVKDONJSA-N 0 1 284.359 3.588 20 0 CHADMN Cc1ccc(C(=O)Nc2ccc(CN(C)C)c(F)c2)s1 ZINC000749154427 1130269064 /nfs/dbraw/zinc/26/90/64/1130269064.db2.gz MKRUBUWCJZPNBT-UHFFFAOYSA-N 0 1 292.379 3.510 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCCN(C)Cc1ccc(Cl)nc1 ZINC000749155477 1130269542 /nfs/dbraw/zinc/26/95/42/1130269542.db2.gz HLXMRTVRAWGNBF-UKRRQHHQSA-N 0 1 296.842 3.762 20 0 CHADMN C/C=C(/CC)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000789661666 1130270332 /nfs/dbraw/zinc/27/03/32/1130270332.db2.gz CHXQQSLIRMEYDB-BAQGIRSFSA-N 0 1 297.280 3.877 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1ccnc(C(F)(F)F)c1 ZINC001240341399 1130270491 /nfs/dbraw/zinc/27/04/91/1130270491.db2.gz OOBUBZOMEPOWFV-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN C[C@H]1CCCN(Cc2cc(Cl)ccc2Cl)[C@H]1CO ZINC000676766963 1130270675 /nfs/dbraw/zinc/27/06/75/1130270675.db2.gz VWNPHWHWWKPJBV-HZMBPMFUSA-N 0 1 288.218 3.586 20 0 CHADMN c1nc2ccc(-c3cc(N4CCCC4)ccn3)cc2s1 ZINC001240342193 1130270992 /nfs/dbraw/zinc/27/09/92/1130270992.db2.gz OOOBTDCRCIMMJI-UHFFFAOYSA-N 0 1 281.384 3.959 20 0 CHADMN CC(C)(C)OCCN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000676905949 1130276447 /nfs/dbraw/zinc/27/64/47/1130276447.db2.gz YKFQEIHJRWPVIJ-CYBMUJFWSA-N 0 1 297.826 3.608 20 0 CHADMN CC(C)OCCN1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000676907238 1130277585 /nfs/dbraw/zinc/27/75/85/1130277585.db2.gz BRUQLBLHMMYSGS-CQSZACIVSA-N 0 1 297.826 3.608 20 0 CHADMN COc1ncc(F)cc1C1=CCCN(Cc2ccccc2)C1 ZINC001240388701 1130287295 /nfs/dbraw/zinc/28/72/95/1130287295.db2.gz RRULTCAGXSWRMK-UHFFFAOYSA-N 0 1 298.361 3.519 20 0 CHADMN CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000826847505 1130288877 /nfs/dbraw/zinc/28/88/77/1130288877.db2.gz DMSXVPLOMZOPQP-UKRRQHHQSA-N 0 1 292.398 3.508 20 0 CHADMN CN(C)Cc1cccc(-c2cccc(C(C)(C)O)c2)c1F ZINC001240410311 1130295900 /nfs/dbraw/zinc/29/59/00/1130295900.db2.gz PBVXYGKCQGTBDH-UHFFFAOYSA-N 0 1 287.378 3.782 20 0 CHADMN CN1CCc2c(F)cc(-c3cccc(C(C)(C)O)c3)cc2C1 ZINC001240410503 1130296001 /nfs/dbraw/zinc/29/60/01/1130296001.db2.gz UKLUKQOBCLYSTM-UHFFFAOYSA-N 0 1 299.389 3.708 20 0 CHADMN CCCO[C@H]1CCN(Cc2scc(C)c2Cl)C1 ZINC001137291316 1130306440 /nfs/dbraw/zinc/30/64/40/1130306440.db2.gz NYOFOUDFZSDAGC-NSHDSACASA-N 0 1 273.829 3.711 20 0 CHADMN CC[C@H](NCc1ccc(C)c(F)c1)c1c(C)noc1C ZINC000677426544 1130311175 /nfs/dbraw/zinc/31/11/75/1130311175.db2.gz XCJLYZHSWCFLET-HNNXBMFYSA-N 0 1 276.355 3.980 20 0 CHADMN C/C(=C/c1ccc(Cl)cc1)CNCc1cc(C)ncn1 ZINC000677425662 1130311739 /nfs/dbraw/zinc/31/17/39/1130311739.db2.gz ZFRIOWPHWNCVHR-GHXNOFRVSA-N 0 1 287.794 3.632 20 0 CHADMN CC(C)(C)OC(=O)c1ccc(-c2cncc3nc[nH]c32)cc1 ZINC001240440860 1130314275 /nfs/dbraw/zinc/31/42/75/1130314275.db2.gz KZHPRAUOYPYGIW-UHFFFAOYSA-N 0 1 295.342 3.580 20 0 CHADMN c1coc([C@H]2CCN(Cc3csc(C4CC4)n3)C2)c1 ZINC000677555136 1130316136 /nfs/dbraw/zinc/31/61/36/1130316136.db2.gz FUFKGANJXWYHEY-LBPRGKRZSA-N 0 1 274.389 3.603 20 0 CHADMN CCCCCCc1nc(-c2ccn3cncc3c2)no1 ZINC000790515060 1130318580 /nfs/dbraw/zinc/31/85/80/1130318580.db2.gz YDPAWPUBGQSAPS-UHFFFAOYSA-N 0 1 270.336 3.507 20 0 CHADMN Cc1nn(C)c2ccc(-c3ccc(F)c(CN(C)C)c3)cc12 ZINC001240467967 1130320815 /nfs/dbraw/zinc/32/08/15/1130320815.db2.gz DTBSXYQXXQYCKQ-UHFFFAOYSA-N 0 1 297.377 3.749 20 0 CHADMN Cc1ccc2ncc(CN(C)C/C=C/c3ccccc3)n2c1 ZINC001137310074 1130321982 /nfs/dbraw/zinc/32/19/82/1130321982.db2.gz GZOOEYMCPUPRNR-RMKNXTFCSA-N 0 1 291.398 3.788 20 0 CHADMN Cc1ccc2ncc(CN3CCC[C@@H]4CCCC[C@H]43)n2c1 ZINC001137310385 1130322736 /nfs/dbraw/zinc/32/27/36/1130322736.db2.gz VJPJJFFJPGLLPT-DOTOQJQBSA-N 0 1 283.419 3.797 20 0 CHADMN Cc1ccc(-c2nnc([C@H](C)N3CCC4(CC4)CC3)o2)cc1 ZINC000677718733 1130323252 /nfs/dbraw/zinc/32/32/52/1130323252.db2.gz IQOWLCFTOSNXNT-AWEZNQCLSA-N 0 1 297.402 3.982 20 0 CHADMN CC(C)(C)c1csc(CN2CCC3(CC3)CC2)n1 ZINC000677718168 1130323491 /nfs/dbraw/zinc/32/34/91/1130323491.db2.gz YSHWONXMMAUAEC-UHFFFAOYSA-N 0 1 264.438 3.817 20 0 CHADMN C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC2(CC2)CC1 ZINC000677717066 1130323944 /nfs/dbraw/zinc/32/39/44/1130323944.db2.gz DKRCYJBKVXYRPG-ZDUSSCGKSA-N 0 1 283.375 3.674 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CC[C@@H](C(F)F)C1 ZINC000677731235 1130324901 /nfs/dbraw/zinc/32/49/01/1130324901.db2.gz FWKBOWDXCIBGIW-WCBMZHEXSA-N 0 1 261.262 3.613 20 0 CHADMN COc1cccc([C@@H](C)N[C@H](C)c2cnc(C)s2)c1 ZINC000677753314 1130328288 /nfs/dbraw/zinc/32/82/88/1130328288.db2.gz FZLOBNIDUBJKOT-GHMZBOCLSA-N 0 1 276.405 3.872 20 0 CHADMN COc1cccc([C@H](C)N[C@H](C)c2cnc(C)s2)c1 ZINC000677753317 1130328585 /nfs/dbraw/zinc/32/85/85/1130328585.db2.gz FZLOBNIDUBJKOT-WDEREUQCSA-N 0 1 276.405 3.872 20 0 CHADMN CCOc1ncccc1-c1ccc(C2=NCCC2)cc1 ZINC001240495685 1130328657 /nfs/dbraw/zinc/32/86/57/1130328657.db2.gz QQHLQELXSTVRII-UHFFFAOYSA-N 0 1 266.344 3.730 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccc3ccccc3n2)s1 ZINC000677754644 1130330298 /nfs/dbraw/zinc/33/02/98/1130330298.db2.gz IQLGJYXTXXMLAQ-LLVKDONJSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1ccc2c(n1)N(CC1CC1)CCN([C@@H]1CC[C@@H](C)C1)C2 ZINC001170144476 1130332212 /nfs/dbraw/zinc/33/22/12/1130332212.db2.gz KAAFUSAJMAWAMM-RDTXWAMCSA-N 0 1 299.462 3.611 20 0 CHADMN CC[C@H](OC(=O)c1ccc2cncn2c1)c1ccccc1 ZINC000790921208 1130338629 /nfs/dbraw/zinc/33/86/29/1130338629.db2.gz NCFWCDFSGNOXCC-INIZCTEOSA-N 0 1 280.327 3.642 20 0 CHADMN C[C@H](NCc1[nH]nc2ccccc21)c1cccc(F)c1F ZINC000678017120 1130341067 /nfs/dbraw/zinc/34/10/67/1130341067.db2.gz XOYZGDLPBAPLOS-JTQLQIEISA-N 0 1 287.313 3.692 20 0 CHADMN c1nc2cccc(-c3cccc(N4CCCC4)c3)c2[nH]1 ZINC001240535369 1130347970 /nfs/dbraw/zinc/34/79/70/1130347970.db2.gz SXDQASBENJMKRK-UHFFFAOYSA-N 0 1 263.344 3.830 20 0 CHADMN Cc1ccccc1C[N@H+](C)Cc1n[nH]c2ccccc21 ZINC000678123011 1130352539 /nfs/dbraw/zinc/35/25/39/1130352539.db2.gz XIQYCWSDKYZJLD-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN CCOc1cc(F)c(F)cc1-c1cncc2cc[nH]c21 ZINC001243275093 1130352740 /nfs/dbraw/zinc/35/27/40/1130352740.db2.gz CTRYTZDUCGXKAD-UHFFFAOYSA-N 0 1 274.270 3.907 20 0 CHADMN CN(Cc1nn(C)c2ccccc12)[C@H]1CCc2ccccc21 ZINC000678132111 1130353373 /nfs/dbraw/zinc/35/33/73/1130353373.db2.gz YNDMUTMHGHDVKH-SFHVURJKSA-N 0 1 291.398 3.693 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)Cc1[nH]nc2ccccc21 ZINC000678135112 1130354536 /nfs/dbraw/zinc/35/45/36/1130354536.db2.gz HAGJRAFZSOFISU-LBPRGKRZSA-N 0 1 283.350 3.895 20 0 CHADMN C[C@@H]1c2ccsc2CCN1Cc1[nH]nc2ccccc21 ZINC000678127569 1130355064 /nfs/dbraw/zinc/35/50/64/1130355064.db2.gz URUBRVJSZBGADA-LLVKDONJSA-N 0 1 283.400 3.744 20 0 CHADMN C[C@H](COC(=O)c1c(F)cc(O)cc1F)c1ccccc1 ZINC000746985792 1130355317 /nfs/dbraw/zinc/35/53/17/1130355317.db2.gz JCBNGCJPLQFMQI-SNVBAGLBSA-N 0 1 292.281 3.631 20 0 CHADMN COc1ccccc1CN(Cc1ccc(O)cc1)C1CC1 ZINC000678135601 1130357336 /nfs/dbraw/zinc/35/73/36/1130357336.db2.gz BRMILHBTGUDNNL-UHFFFAOYSA-N 0 1 283.371 3.565 20 0 CHADMN c1csc(CN(Cc2[nH]nc3ccccc32)C2CC2)c1 ZINC000678136768 1130358079 /nfs/dbraw/zinc/35/80/79/1130358079.db2.gz FHJPGYMAVONVBO-UHFFFAOYSA-N 0 1 283.400 3.789 20 0 CHADMN Cc1nc2ccc(-c3cccc(-c4cc[nH]n4)c3)cc2[nH]1 ZINC001240561613 1130359827 /nfs/dbraw/zinc/35/98/27/1130359827.db2.gz JAHUEMOLUWTOMY-UHFFFAOYSA-N 0 1 274.327 3.928 20 0 CHADMN CCCN(Cc1cncs1)Cc1ccc(OC)cc1 ZINC000678145783 1130359920 /nfs/dbraw/zinc/35/99/20/1130359920.db2.gz DNKNBLBVSDVIEY-UHFFFAOYSA-N 0 1 276.405 3.564 20 0 CHADMN C[C@H]1CO[C@@H](C(F)(F)F)CN1CC1CCCCCC1 ZINC001170151399 1130361532 /nfs/dbraw/zinc/36/15/32/1130361532.db2.gz WBJFNYXTZWHDOX-WCQYABFASA-N 0 1 279.346 3.608 20 0 CHADMN COc1cccc(CN(Cc2cncs2)CC(C)C)c1 ZINC000678156485 1130364133 /nfs/dbraw/zinc/36/41/33/1130364133.db2.gz FXIOCEDWGVHSGF-UHFFFAOYSA-N 0 1 290.432 3.810 20 0 CHADMN Cn1ccc2ccc(-c3cc4nc[nH]c4cc3F)cc21 ZINC001240576405 1130368922 /nfs/dbraw/zinc/36/89/22/1130368922.db2.gz TXPTVIRPPCQAQH-UHFFFAOYSA-N 0 1 265.291 3.861 20 0 CHADMN Clc1cscc1CN1CCC(c2ncc[nH]2)CC1 ZINC000678220280 1130373025 /nfs/dbraw/zinc/37/30/25/1130373025.db2.gz IHQGWVRMSFVDOJ-UHFFFAOYSA-N 0 1 281.812 3.504 20 0 CHADMN c1ccc2c(c1)CN(Cc1ccc3ncccc3c1)CCO2 ZINC000678196092 1130369671 /nfs/dbraw/zinc/36/96/71/1130369671.db2.gz NVEKURLFCPCJKE-UHFFFAOYSA-N 0 1 290.366 3.629 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)C[C@@H](O)c1ccccc1 ZINC000791447877 1130375709 /nfs/dbraw/zinc/37/57/09/1130375709.db2.gz IZVARILKWHHJAU-SJKOYZFVSA-N 0 1 291.341 3.691 20 0 CHADMN Cc1cc(F)cc(-c2ccc(N3CCN(C)CC3)cc2)c1 ZINC001240594654 1130378642 /nfs/dbraw/zinc/37/86/42/1130378642.db2.gz XRCMTCQMVQEOQN-UHFFFAOYSA-N 0 1 284.378 3.553 20 0 CHADMN Clc1ccc(CN2CC[C@H](c3ccco3)C2)o1 ZINC000678259509 1130380226 /nfs/dbraw/zinc/38/02/26/1130380226.db2.gz ASPUGBDHLWJORL-JTQLQIEISA-N 0 1 251.713 3.516 20 0 CHADMN CN(Cc1cn[nH]c1)Cc1cc(-c2ccccc2)cs1 ZINC000678266000 1130381409 /nfs/dbraw/zinc/38/14/09/1130381409.db2.gz HWEXWTQLPNYFIO-UHFFFAOYSA-N 0 1 283.400 3.770 20 0 CHADMN CCOC(=O)CN([C@H](C)c1ccccc1)[C@@H]1CC[C@H](C)C1 ZINC001170156182 1130382339 /nfs/dbraw/zinc/38/23/39/1130382339.db2.gz AUKXAEYCLDLUNY-ZMSDIMECSA-N 0 1 289.419 3.801 20 0 CHADMN FC(F)(F)c1cccnc1CN1CC[C@@H](c2ccco2)C1 ZINC000678262774 1130382924 /nfs/dbraw/zinc/38/29/24/1130382924.db2.gz XKNIHQFZBSXNMF-LLVKDONJSA-N 0 1 296.292 3.683 20 0 CHADMN Cc1ccc2ncnc(-c3ccc(O)c(F)c3F)c2c1 ZINC001243339093 1130384414 /nfs/dbraw/zinc/38/44/14/1130384414.db2.gz MZZMFPRATKZPIR-UHFFFAOYSA-N 0 1 272.254 3.589 20 0 CHADMN CN(Cc1cccn1C)Cc1ccccc1C1CC1 ZINC000678273209 1130387439 /nfs/dbraw/zinc/38/74/39/1130387439.db2.gz IFCSVQQADRHWRK-UHFFFAOYSA-N 0 1 254.377 3.535 20 0 CHADMN Fc1cccc([C@@H]2CCN2Cc2ccc3nc[nH]c3c2)c1 ZINC000678284537 1130390730 /nfs/dbraw/zinc/39/07/30/1130390730.db2.gz XNPRFOKCHOYPEI-KRWDZBQOSA-N 0 1 281.334 3.649 20 0 CHADMN Fc1cccc([C@@H]2CCN2Cc2[nH]nc3ccccc32)c1 ZINC000678283550 1130390998 /nfs/dbraw/zinc/39/09/98/1130390998.db2.gz NWDJRNYSLNMADN-KRWDZBQOSA-N 0 1 281.334 3.649 20 0 CHADMN Cc1cc(C)c(C[N@@H+]2CC=C(c3ccccc3)CC2)[nH]1 ZINC001137330751 1130392723 /nfs/dbraw/zinc/39/27/23/1130392723.db2.gz ABYLWHHMLUFMHH-UHFFFAOYSA-N 0 1 266.388 3.921 20 0 CHADMN C[N@@H+](Cc1c[nH]c2ccc(F)cc12)C1CC(F)(F)C1 ZINC001137333904 1130401106 /nfs/dbraw/zinc/40/11/06/1130401106.db2.gz YJONCTCTVNOSQL-UHFFFAOYSA-N 0 1 268.282 3.537 20 0 CHADMN C[C@@H]1CCN(Cc2cscc2Cl)C[C@@H]1n1ccnc1 ZINC000678336927 1130402155 /nfs/dbraw/zinc/40/21/55/1130402155.db2.gz NRNHERIGRXILMT-RISCZKNCSA-N 0 1 295.839 3.681 20 0 CHADMN COCCN(Cc1ccc(C)cc1C)Cc1ncccc1C ZINC000678514840 1130425066 /nfs/dbraw/zinc/42/50/66/1130425066.db2.gz MKMHFHGRMJWCML-UHFFFAOYSA-N 0 1 298.430 3.655 20 0 CHADMN CCCC[C@H](CCC)CNC(=O)[C@@H]1CCN1C(C)(C)C ZINC001137340703 1130428623 /nfs/dbraw/zinc/42/86/23/1130428623.db2.gz MMBDLMCMGASVQK-GJZGRUSLSA-N 0 1 282.472 3.582 20 0 CHADMN CCN(C)c1ccc(CN2Cc3ccccc3[C@H](C)C2)cn1 ZINC000792156671 1130433083 /nfs/dbraw/zinc/43/30/83/1130433083.db2.gz KNDXLWDUWFYTHG-OAHLLOKOSA-N 0 1 295.430 3.657 20 0 CHADMN CCN(CCc1ccccn1)Cc1ccsc1Cl ZINC000792167667 1130434051 /nfs/dbraw/zinc/43/40/51/1130434051.db2.gz XNCXWRHDJWJQDF-UHFFFAOYSA-N 0 1 280.824 3.861 20 0 CHADMN C[C@H](N[C@@H]1CC[C@H]1C)c1nc(C2CCCCC2)no1 ZINC000792178331 1130436073 /nfs/dbraw/zinc/43/60/73/1130436073.db2.gz DXYBBLAOSFNZFM-NTZNESFSSA-N 0 1 263.385 3.566 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(C)nc2C)c(F)c1 ZINC000678597610 1130436827 /nfs/dbraw/zinc/43/68/27/1130436827.db2.gz FSIQTMZUBJRIAF-LBPRGKRZSA-N 0 1 288.366 3.697 20 0 CHADMN Cc1ccc(C2=CCN(Cc3cc(C)ccn3)CC2)cc1 ZINC000792200885 1130438136 /nfs/dbraw/zinc/43/81/36/1130438136.db2.gz SAAOWRXWXBODEW-UHFFFAOYSA-N 0 1 278.399 3.988 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](c2cccnc2)C2CC2)s1 ZINC000678609421 1130441869 /nfs/dbraw/zinc/44/18/69/1130441869.db2.gz RYPUUPVSRLTRET-MEBBXXQBSA-N 0 1 273.405 3.648 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1cccc3nsnc31)C2 ZINC000792313605 1130443238 /nfs/dbraw/zinc/44/32/38/1130443238.db2.gz YJNVPGZFAZJWPA-UHFFFAOYSA-N 0 1 295.411 3.558 20 0 CHADMN Fc1cccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1F ZINC000678638689 1130443875 /nfs/dbraw/zinc/44/38/75/1130443875.db2.gz MJIBZEDMSDBIKY-ZIAGYGMSSA-N 0 1 295.373 3.603 20 0 CHADMN Fc1cccc(CN2CCC[C@H](C[C@H]3CCOC3)C2)c1F ZINC000678638689 1130443876 /nfs/dbraw/zinc/44/38/76/1130443876.db2.gz MJIBZEDMSDBIKY-ZIAGYGMSSA-N 0 1 295.373 3.603 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@@H](c1cccnc1)C(C)C ZINC000678685526 1130445772 /nfs/dbraw/zinc/44/57/72/1130445772.db2.gz ISSCCFVHZKHKOW-QGZVFWFLSA-N 0 1 299.418 3.589 20 0 CHADMN CC(C)n1ccc(CN[C@H]2c3ccccc3CC[C@@H]2C)n1 ZINC000678771767 1130451981 /nfs/dbraw/zinc/45/19/81/1130451981.db2.gz YXWFGLVEUWLWRL-KBXCAEBGSA-N 0 1 283.419 3.877 20 0 CHADMN C[C@H]1CCc2ccccc2[C@@H]1NCc1ncccc1F ZINC000678773881 1130453524 /nfs/dbraw/zinc/45/35/24/1130453524.db2.gz BVWJDCLTOKXGHE-YVEFUNNKSA-N 0 1 270.351 3.634 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2[nH]nc3ccccc32)cn1 ZINC001137351208 1130456247 /nfs/dbraw/zinc/45/62/47/1130456247.db2.gz SGTJVLYWSQOEMZ-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2n[nH]c3ccccc32)cn1 ZINC001137351208 1130456252 /nfs/dbraw/zinc/45/62/52/1130456252.db2.gz SGTJVLYWSQOEMZ-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2[nH]nc3ccccc32)cn1 ZINC001137351208 1130456259 /nfs/dbraw/zinc/45/62/59/1130456259.db2.gz SGTJVLYWSQOEMZ-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN Clc1cccc(Cl)c1C1(NC[C@@H]2CCCO2)CC1 ZINC000678798818 1130456820 /nfs/dbraw/zinc/45/68/20/1130456820.db2.gz QHHPXFSIEUZOOP-JTQLQIEISA-N 0 1 286.202 3.751 20 0 CHADMN COCOc1cc(C)ccc1-c1cc2nc[nH]c2cc1F ZINC001240763694 1130460468 /nfs/dbraw/zinc/46/04/68/1130460468.db2.gz COVOVCBUVOWLQI-UHFFFAOYSA-N 0 1 286.306 3.660 20 0 CHADMN CC[C@H]1C[C@@H](N(CC(=O)c2ccccc2)C(C)C)CCO1 ZINC001170235230 1130464611 /nfs/dbraw/zinc/46/46/11/1130464611.db2.gz LCKZCHIAJBDGCW-IRXDYDNUSA-N 0 1 289.419 3.537 20 0 CHADMN CC[C@@H](NCc1nc(CC(C)C)no1)C1CCCCC1 ZINC000678895391 1130467895 /nfs/dbraw/zinc/46/78/95/1130467895.db2.gz OLNRSAASPHWLHR-CQSZACIVSA-N 0 1 279.428 3.717 20 0 CHADMN CC[C@@H](NCc1nnc(C(C)C)o1)C1CCCCC1 ZINC000678895591 1130468241 /nfs/dbraw/zinc/46/82/41/1130468241.db2.gz RUMHOVHINSWKKT-CYBMUJFWSA-N 0 1 265.401 3.642 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1cncc(C(F)(F)F)c1 ZINC001240793130 1130474688 /nfs/dbraw/zinc/47/46/88/1130474688.db2.gz AWSDDYPYPKFNMU-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1ccc(Cl)o1)CC2 ZINC000678997763 1130481850 /nfs/dbraw/zinc/48/18/50/1130481850.db2.gz NZAVZVPPNGRNKJ-CQSZACIVSA-N 0 1 277.751 3.719 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1ccc(Cl)o1)CC2 ZINC000678997762 1130481915 /nfs/dbraw/zinc/48/19/15/1130481915.db2.gz NZAVZVPPNGRNKJ-AWEZNQCLSA-N 0 1 277.751 3.719 20 0 CHADMN C[C@H](CCc1cccc(C(F)(F)F)c1)NCc1cocn1 ZINC000679049345 1130487476 /nfs/dbraw/zinc/48/74/76/1130487476.db2.gz NVVYKLQHNSJDHS-LLVKDONJSA-N 0 1 298.308 3.804 20 0 CHADMN C=Cc1cccc(-c2ccc(N3CCN(C)CC3)cc2)c1 ZINC001240852636 1130493356 /nfs/dbraw/zinc/49/33/56/1130493356.db2.gz ZENIWSQMRUDWGJ-UHFFFAOYSA-N 0 1 278.399 3.748 20 0 CHADMN COc1ccc(-c2nc[nH]c3nc(=S)sc2-3)cc1C ZINC001240863181 1130494629 /nfs/dbraw/zinc/49/46/29/1130494629.db2.gz CCJSMNYGPJFZFU-UHFFFAOYSA-N 0 1 289.385 3.685 20 0 CHADMN C[C@@H](Nc1cnn(-c2ccncc2)c1)c1cccs1 ZINC000679126323 1130495527 /nfs/dbraw/zinc/49/55/27/1130495527.db2.gz FLCFEDHBUGVZBB-LLVKDONJSA-N 0 1 270.361 3.502 20 0 CHADMN C[C@H](Nc1cnn(-c2ccncc2)c1)c1ccc(F)cc1 ZINC000679127493 1130495785 /nfs/dbraw/zinc/49/57/85/1130495785.db2.gz NKDWJRMZGIHZJT-LBPRGKRZSA-N 0 1 282.322 3.580 20 0 CHADMN c1nn(-c2ccncc2)cc1N[C@@H](c1ccccc1)C1CC1 ZINC000679128905 1130496973 /nfs/dbraw/zinc/49/69/73/1130496973.db2.gz ZTKYZGGRXDYLDM-SFHVURJKSA-N 0 1 290.370 3.831 20 0 CHADMN c1nc2cnc(-c3ccc(Oc4cccnc4)cc3)cc2[nH]1 ZINC001240879197 1130500691 /nfs/dbraw/zinc/50/06/91/1130500691.db2.gz DJZFEDPIDDIPIQ-UHFFFAOYSA-N 0 1 288.310 3.812 20 0 CHADMN COC(CN(CC(C)C)[C@H](C)c1ccccc1Cl)OC ZINC000792928671 1130507706 /nfs/dbraw/zinc/50/77/06/1130507706.db2.gz XDTJNHVKGFUONP-CYBMUJFWSA-N 0 1 299.842 3.978 20 0 CHADMN COC(CN(CC(C)C)[C@@H](C)c1ccccc1Cl)OC ZINC000792928674 1130507948 /nfs/dbraw/zinc/50/79/48/1130507948.db2.gz XDTJNHVKGFUONP-ZDUSSCGKSA-N 0 1 299.842 3.978 20 0 CHADMN CCOc1ccc(NCc2ccc3nc[nH]c3c2)c(C)c1 ZINC000747098897 1130511655 /nfs/dbraw/zinc/51/16/55/1130511655.db2.gz FIIBTXWKMNPAJU-UHFFFAOYSA-N 0 1 281.359 3.882 20 0 CHADMN c1ccc(OC2CCCC2)c(CN2CC=CCC2)c1 ZINC000679359607 1130520314 /nfs/dbraw/zinc/52/03/14/1130520314.db2.gz PATHXMWLWXJVBQ-UHFFFAOYSA-N 0 1 257.377 3.770 20 0 CHADMN COc1ccc(-c2nc(C)cc3[nH]ccc32)c(OC)c1OC ZINC001240929749 1130520825 /nfs/dbraw/zinc/52/08/25/1130520825.db2.gz NCZMMZNEXPMWTL-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN2CC[C@@H](C)[C@H](F)C2)cc1 ZINC000679360641 1130521378 /nfs/dbraw/zinc/52/13/78/1130521378.db2.gz VUYBPLFEWORVMI-CZUORRHYSA-N 0 1 287.382 3.565 20 0 CHADMN CC(C)(C)c1ccc(CN2CC[C@@H](F)C(F)(F)CC2)[nH]1 ZINC001137371001 1130521942 /nfs/dbraw/zinc/52/19/42/1130521942.db2.gz WKQWIZQTDGXBDX-GFCCVEGCSA-N 0 1 288.357 3.881 20 0 CHADMN CC(C)[C@H](CSc1ccccc1)NCc1cocn1 ZINC000679364248 1130522543 /nfs/dbraw/zinc/52/25/43/1130522543.db2.gz UKICUGXENDNEIP-HNNXBMFYSA-N 0 1 276.405 3.581 20 0 CHADMN C[C@@H](N[C@@H](CCc1ccccc1)C(F)F)C1CCOCC1 ZINC000679395020 1130527040 /nfs/dbraw/zinc/52/70/40/1130527040.db2.gz VOUVVMKLVBUFJS-CJNGLKHVSA-N 0 1 297.389 3.658 20 0 CHADMN CC(C)OC(=O)c1cccc(-c2nccc3c2ccn3C)c1 ZINC001240944928 1130528053 /nfs/dbraw/zinc/52/80/53/1130528053.db2.gz LRPNSZBQORJSAG-UHFFFAOYSA-N 0 1 294.354 3.806 20 0 CHADMN CC(C)(C)c1ccc(CN2CCC[C@H](C(F)F)C2)[nH]1 ZINC001137376861 1130533418 /nfs/dbraw/zinc/53/34/18/1130533418.db2.gz SRBGMPLFLDCETM-NSHDSACASA-N 0 1 270.367 3.789 20 0 CHADMN C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccccc1F ZINC000679543368 1130537325 /nfs/dbraw/zinc/53/73/25/1130537325.db2.gz BSDLBEYZFFUKSK-JQWIXIFHSA-N 0 1 275.289 3.989 20 0 CHADMN CN(Cc1ncc(C2CC2)o1)C[C@@H]1CCc2ccccc21 ZINC000679536260 1130537621 /nfs/dbraw/zinc/53/76/21/1130537621.db2.gz OBJNCGMERGWDKK-HNNXBMFYSA-N 0 1 282.387 3.714 20 0 CHADMN COCc1ccc(CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)o1 ZINC000679584661 1130543900 /nfs/dbraw/zinc/54/39/00/1130543900.db2.gz XRWRYRKGINGWHY-QWRGUYRKSA-N 0 1 291.313 3.589 20 0 CHADMN COc1ccsc1CN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679584087 1130543970 /nfs/dbraw/zinc/54/39/70/1130543970.db2.gz KNOSLRIGXYRPLY-NXEZZACHSA-N 0 1 293.354 3.920 20 0 CHADMN FC(F)Oc1ccc(CN2CCC(F)(F)CC2)cc1 ZINC000793362958 1130546401 /nfs/dbraw/zinc/54/64/01/1130546401.db2.gz YEJXWASFNZEABI-UHFFFAOYSA-N 0 1 277.261 3.519 20 0 CHADMN CC[C@H](C)N(C)Cc1cc(C)ccc1Br ZINC001137382092 1130546848 /nfs/dbraw/zinc/54/68/48/1130546848.db2.gz KSUKTBCDAVYJAJ-NSHDSACASA-N 0 1 270.214 3.988 20 0 CHADMN c1ccc(COC[C@H](NC2CSC2)c2ccccc2)cc1 ZINC000679625627 1130546984 /nfs/dbraw/zinc/54/69/84/1130546984.db2.gz JAPNCCVYKKPVTF-SFHVURJKSA-N 0 1 299.439 3.650 20 0 CHADMN CCN(Cc1c(Cl)nc2ccccn21)CC1CCC1 ZINC000793351223 1130549494 /nfs/dbraw/zinc/54/94/94/1130549494.db2.gz DHYDYVSXYIZJKM-UHFFFAOYSA-N 0 1 277.799 3.610 20 0 CHADMN CN(C)Cc1ccc(-c2cc(F)c(F)c(F)c2)cc1F ZINC001240982237 1130549709 /nfs/dbraw/zinc/54/97/09/1130549709.db2.gz YJSDDQYDUFMAJM-UHFFFAOYSA-N 0 1 283.268 3.972 20 0 CHADMN CC(C)Oc1cccc(CN2CCC[C@@H](OC(F)F)C2)c1 ZINC000679679511 1130551888 /nfs/dbraw/zinc/55/18/88/1130551888.db2.gz STGCROQEQFSVDH-OAHLLOKOSA-N 0 1 299.361 3.677 20 0 CHADMN CSc1ccccc1CN1CC[C@@H](C)[C@H](F)C1 ZINC000679674500 1130551939 /nfs/dbraw/zinc/55/19/39/1130551939.db2.gz UCKUWYVEULRCFO-DGCLKSJQSA-N 0 1 253.386 3.588 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(Cl)cc2F)C(C)C)n[nH]1 ZINC000679751519 1130555162 /nfs/dbraw/zinc/55/51/62/1130555162.db2.gz YQHZANYNZXFOQD-OAHLLOKOSA-N 0 1 295.789 3.998 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(Cl)cc2F)C(C)C)[nH]n1 ZINC000679751519 1130555168 /nfs/dbraw/zinc/55/51/68/1130555168.db2.gz YQHZANYNZXFOQD-OAHLLOKOSA-N 0 1 295.789 3.998 20 0 CHADMN CCOc1cc(F)cc(-c2cccc3nc[nH]c32)c1 ZINC001241024804 1130570182 /nfs/dbraw/zinc/57/01/82/1130570182.db2.gz MTNUEFJRPBXUEY-UHFFFAOYSA-N 0 1 256.280 3.768 20 0 CHADMN CN(Cc1ccc(F)cc1)Cc1c[nH]c(=O)c2ccccc12 ZINC001233964700 1130590668 /nfs/dbraw/zinc/59/06/68/1130590668.db2.gz RGQLPKLEBITVHI-UHFFFAOYSA-N 0 1 296.345 3.712 20 0 CHADMN Cc1cc(O[C@H]2CCCN(C)C2)c(Cl)cc1Cl ZINC001234056593 1130603364 /nfs/dbraw/zinc/60/33/64/1130603364.db2.gz GMEBODLJMADPSZ-JTQLQIEISA-N 0 1 274.191 3.775 20 0 CHADMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cn1cc(C)cnc1=S ZINC000758338956 1130606183 /nfs/dbraw/zinc/60/61/83/1130606183.db2.gz GVUAIOUSTFDFQG-KGLIPLIRSA-N 0 1 279.453 3.779 20 0 CHADMN CN(C)c1ccnc(Cl)c1CN1CCC2(CCC2)CC1 ZINC001234105580 1130609451 /nfs/dbraw/zinc/60/94/51/1130609451.db2.gz YMFHUGQGLQESNW-UHFFFAOYSA-N 0 1 293.842 3.567 20 0 CHADMN CN(C)c1ccnc(Cl)c1CN1C2CCCC1CCC2 ZINC001234149735 1130612090 /nfs/dbraw/zinc/61/20/90/1130612090.db2.gz CEVVVHPWNNCPES-UHFFFAOYSA-N 0 1 293.842 3.708 20 0 CHADMN FC(F)(F)c1ccc(CNCc2cncs2)s1 ZINC000758450172 1130612788 /nfs/dbraw/zinc/61/27/88/1130612788.db2.gz VFQULBIVXCLNBM-UHFFFAOYSA-N 0 1 278.324 3.513 20 0 CHADMN CN(C)c1ccc(-c2nc3ccc(F)cc3[nH]2)cc1F ZINC000758452473 1130613414 /nfs/dbraw/zinc/61/34/14/1130613414.db2.gz ANCHLCZOBPGBQP-UHFFFAOYSA-N 0 1 273.286 3.574 20 0 CHADMN Cc1ccc(CNCc2ccnc(Cl)c2Cl)cc1 ZINC000811471983 1130614444 /nfs/dbraw/zinc/61/44/44/1130614444.db2.gz QEQGBWFNNCTYCC-UHFFFAOYSA-N 0 1 281.186 3.987 20 0 CHADMN CCCC[C@H](C)N(C)Cc1c(Cl)nc2ccccn21 ZINC000811520737 1130615149 /nfs/dbraw/zinc/61/51/49/1130615149.db2.gz UAHWLYOSCSFELO-LBPRGKRZSA-N 0 1 279.815 3.998 20 0 CHADMN Cc1cc(CN[C@@H](c2cccnc2)C2CC2)cnc1Cl ZINC000758632478 1130619537 /nfs/dbraw/zinc/61/95/37/1130619537.db2.gz MWJZLIXOHLRCRW-OAHLLOKOSA-N 0 1 287.794 3.679 20 0 CHADMN CCCCC1CCC(C(=O)N2CCN(C)C(C)(C)C2)CC1 ZINC001132988734 1130641515 /nfs/dbraw/zinc/64/15/15/1130641515.db2.gz ICUPAWAAHWKZLG-UHFFFAOYSA-N 0 1 294.483 3.536 20 0 CHADMN Oc1ccccc1CCNc1ccnc2cc(F)ccc21 ZINC000811775070 1130643980 /nfs/dbraw/zinc/64/39/80/1130643980.db2.gz YHZRBLOZWHALQH-UHFFFAOYSA-N 0 1 282.318 3.734 20 0 CHADMN FCCN(Cc1ccccc1F)C1CCCCC1 ZINC000759340568 1130651746 /nfs/dbraw/zinc/65/17/46/1130651746.db2.gz WRVCJNPSYWXIED-UHFFFAOYSA-N 0 1 253.336 3.930 20 0 CHADMN Cc1nc2ccccn2c1CN1Cc2ccccc2[C@H](C)C1 ZINC000759332639 1130652109 /nfs/dbraw/zinc/65/21/09/1130652109.db2.gz OYUYACFUSVQHTR-CQSZACIVSA-N 0 1 291.398 3.762 20 0 CHADMN CCCCCC[C@H](O)CN[C@@](C)(CC)c1nccs1 ZINC000759390260 1130655007 /nfs/dbraw/zinc/65/50/07/1130655007.db2.gz SQCRMGRVEUYUTI-ZFWWWQNUSA-N 0 1 284.469 3.689 20 0 CHADMN COc1ccc(CN2CCC(CF)CC2)c(OC(C)C)c1 ZINC001234714326 1130675810 /nfs/dbraw/zinc/67/58/10/1130675810.db2.gz IEFUUBNXPZKDQB-UHFFFAOYSA-N 0 1 295.398 3.664 20 0 CHADMN CCC[C@@H](CC1CCCC1)C(=O)N1CCN(C)C(C)(C)C1 ZINC001133207473 1130677639 /nfs/dbraw/zinc/67/76/39/1130677639.db2.gz GIJCPJOFKJHQRS-INIZCTEOSA-N 0 1 294.483 3.536 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)NOC/C=C\Cl)c1ccccc1 ZINC000812399085 1130688501 /nfs/dbraw/zinc/68/85/01/1130688501.db2.gz HLQINZTYOSNXFW-KWSNUBGBSA-N 0 1 281.783 3.617 20 0 CHADMN CCOc1ccc(C2=CCN(Cc3ccoc3)CC2)cc1 ZINC000780765439 1130691009 /nfs/dbraw/zinc/69/10/09/1130691009.db2.gz BWHXHKNFDZWAOJ-UHFFFAOYSA-N 0 1 283.371 3.968 20 0 CHADMN CCC(C)=C(C)C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000780917087 1130696168 /nfs/dbraw/zinc/69/61/68/1130696168.db2.gz OXSPBFRXMKXBIP-QXMHVHEDSA-N 0 1 269.348 3.762 20 0 CHADMN Cc1cc(F)c(CN2CC[C@@H](COCC3CC3)C2)c(F)c1 ZINC001235199183 1130722899 /nfs/dbraw/zinc/72/28/99/1130722899.db2.gz SMOTZVWSNRMMCI-CQSZACIVSA-N 0 1 295.373 3.522 20 0 CHADMN CCc1cccc(CN(C)Cc2cccc(C)c2)n1 ZINC001235251008 1130728044 /nfs/dbraw/zinc/72/80/44/1130728044.db2.gz NTWHBNXGEILTKV-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN CCc1cccc(CN2CCC[C@H]2c2ccccc2OC)n1 ZINC001235258152 1130730490 /nfs/dbraw/zinc/73/04/90/1130730490.db2.gz NWNXZILTEUIQSD-SFHVURJKSA-N 0 1 296.414 3.990 20 0 CHADMN CCCCN(CC)Cc1cc(F)c(F)c(F)c1F ZINC001235338788 1130733398 /nfs/dbraw/zinc/73/33/98/1130733398.db2.gz HZLODHIYYJXLSG-UHFFFAOYSA-N 0 1 263.278 3.865 20 0 CHADMN Cc1cc(OC(C)C)ncc1CN1CC2(C1)CCCCC2 ZINC001235431562 1130743411 /nfs/dbraw/zinc/74/34/11/1130743411.db2.gz FKUUXVGGBZSIRG-UHFFFAOYSA-N 0 1 288.435 3.943 20 0 CHADMN Cc1cc(OC(C)C)ncc1CN1CCC[C@H](C(F)F)C1 ZINC001235430493 1130744048 /nfs/dbraw/zinc/74/40/48/1130744048.db2.gz WUENRVWUEHNHOS-ZDUSSCGKSA-N 0 1 298.377 3.654 20 0 CHADMN CCCCC1CCN(Cc2nc(Cl)ccc2N)CC1 ZINC001235432171 1130744163 /nfs/dbraw/zinc/74/41/63/1130744163.db2.gz KTSDRHIAEMJMCN-UHFFFAOYSA-N 0 1 281.831 3.719 20 0 CHADMN COc1cncc(CN2Cc3ccccc3[C@@H](C)C2)c1C ZINC001235461223 1130747836 /nfs/dbraw/zinc/74/78/36/1130747836.db2.gz YAVHZZHKVBMYJG-ZDUSSCGKSA-N 0 1 282.387 3.518 20 0 CHADMN C[C@H]1CC[C@@]2(CCN(Cc3coc(C4CC4)n3)C2)C1 ZINC000781928104 1130750345 /nfs/dbraw/zinc/75/03/45/1130750345.db2.gz JJBXLFKDJUWEMX-BLLLJJGKSA-N 0 1 260.381 3.564 20 0 CHADMN Cc1ccnc(CN(C)C2CCCCC2)c1Cl ZINC001235574997 1130754168 /nfs/dbraw/zinc/75/41/68/1130754168.db2.gz MMLSMIGKROFCOB-UHFFFAOYSA-N 0 1 252.789 3.808 20 0 CHADMN CN(Cc1cc(Cl)c(Cl)c(Cl)c1)[C@@H]1CCOC1 ZINC001235602217 1130757338 /nfs/dbraw/zinc/75/73/38/1130757338.db2.gz MKJQMDNPOWXHKY-SECBINFHSA-N 0 1 294.609 3.868 20 0 CHADMN Cc1ccnc(CN2CCC(C(C)C)CC2)c1Cl ZINC001235587577 1130758079 /nfs/dbraw/zinc/75/80/79/1130758079.db2.gz FFNJRZOJLGOKQI-UHFFFAOYSA-N 0 1 266.816 3.911 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccccc21)c1cn2c(n1)CCCC2 ZINC000813322743 1130759298 /nfs/dbraw/zinc/75/92/98/1130759298.db2.gz HAUUQZOCOFMXNM-XJKSGUPXSA-N 0 1 281.403 3.558 20 0 CHADMN Cc1cncc(Br)c1CN1CC[C@@H](C)C[C@H]1C ZINC001235647831 1130759863 /nfs/dbraw/zinc/75/98/63/1130759863.db2.gz SOXAOBYKPLHQPI-ZYHUDNBSSA-N 0 1 297.240 3.773 20 0 CHADMN C[C@H]1CCCN(Cc2cccn2C(=O)OC(C)(C)C)C1 ZINC001235627307 1130760168 /nfs/dbraw/zinc/76/01/68/1130760168.db2.gz XTISNMVIENYZTM-ZDUSSCGKSA-N 0 1 278.396 3.503 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1cccn1C(=O)OC(C)(C)C ZINC001235632832 1130760422 /nfs/dbraw/zinc/76/04/22/1130760422.db2.gz RRTDXGUVSYLPLI-UONOGXRCSA-N 0 1 292.423 3.892 20 0 CHADMN C[C@H](C1CC1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000782193893 1130760833 /nfs/dbraw/zinc/76/08/33/1130760833.db2.gz PIWOESWPLHRFHI-IAQYHMDHSA-N 0 1 299.336 3.877 20 0 CHADMN COc1cc(-c2ccc(CN(C)C)c(F)c2)c(Cl)cn1 ZINC001245040158 1130769925 /nfs/dbraw/zinc/76/99/25/1130769925.db2.gz PWMVYGGXCITRDQ-UHFFFAOYSA-N 0 1 294.757 3.611 20 0 CHADMN CC(C)c1nc(CS[C@H](C)c2cccs2)n[nH]1 ZINC000813572095 1130776054 /nfs/dbraw/zinc/77/60/54/1130776054.db2.gz JJMOFMJCFTZKEZ-SECBINFHSA-N 0 1 267.423 3.984 20 0 CHADMN COc1nccc(CN2CCC23CCCCC3)c1Cl ZINC001235835158 1130785073 /nfs/dbraw/zinc/78/50/73/1130785073.db2.gz OHKLEBWHFMNQTH-UHFFFAOYSA-N 0 1 280.799 3.652 20 0 CHADMN Cc1ccoc1CNCc1ccc2c(c1)CCC(C)(C)O2 ZINC000813790868 1130785241 /nfs/dbraw/zinc/78/52/41/1130785241.db2.gz HFZXXMKUIBHMBL-UHFFFAOYSA-N 0 1 285.387 3.981 20 0 CHADMN CCc1nc(C)c(CN[C@H]2CCc3cc(C)ccc32)o1 ZINC000813887940 1130794676 /nfs/dbraw/zinc/79/46/76/1130794676.db2.gz WPSKNVCMVZUZST-HNNXBMFYSA-N 0 1 270.376 3.631 20 0 CHADMN Cc1cccc([C@@H](C)OC(=O)Cc2[nH]nc3ccccc32)c1 ZINC000783158280 1130799802 /nfs/dbraw/zinc/79/98/02/1130799802.db2.gz SGQFQZUQJPSURF-CYBMUJFWSA-N 0 1 294.354 3.718 20 0 CHADMN CCC(C)(C)c1ccc(CN2CC[C@@H](N)C(F)(F)C2)cc1 ZINC001235915759 1130804474 /nfs/dbraw/zinc/80/44/74/1130804474.db2.gz SLMAWALYZFSBLY-OAHLLOKOSA-N 0 1 296.405 3.543 20 0 CHADMN CC(C)(C)Oc1ccc(-c2cc3[nH]cnc3cn2)cc1 ZINC001235925480 1130805552 /nfs/dbraw/zinc/80/55/52/1130805552.db2.gz FFFUGWWVECQPIY-UHFFFAOYSA-N 0 1 267.332 3.802 20 0 CHADMN COc1ccccc1[C@H](N[C@@H]1CC[C@@H]1C)c1ccco1 ZINC000783255848 1130807917 /nfs/dbraw/zinc/80/79/17/1130807917.db2.gz YTVDAEAHMOZAHM-QEORTHHSSA-N 0 1 271.360 3.766 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1ccc(OC(F)(F)F)cc1 ZINC001235929900 1130808894 /nfs/dbraw/zinc/80/88/94/1130808894.db2.gz ITIVTTZBEREKOD-UHFFFAOYSA-N 0 1 297.211 3.663 20 0 CHADMN FC(F)(F)Oc1ccc(-c2cccc3cncn32)cc1 ZINC001235938054 1130811487 /nfs/dbraw/zinc/81/14/87/1130811487.db2.gz CUBSCFUOQUSRNM-UHFFFAOYSA-N 0 1 278.233 3.900 20 0 CHADMN OCCCCCN1CCSC[C@@H]1c1cccc(Cl)c1 ZINC001235945860 1130812404 /nfs/dbraw/zinc/81/24/04/1130812404.db2.gz GRVWKPIACMYUKV-OAHLLOKOSA-N 0 1 299.867 3.593 20 0 CHADMN CC(C)COc1cccc(-c2c(F)cc(F)c(O)c2F)n1 ZINC001235989090 1130824125 /nfs/dbraw/zinc/82/41/25/1130824125.db2.gz FDDAOPZMLOGYNM-UHFFFAOYSA-N 0 1 297.276 3.906 20 0 CHADMN CSc1cncc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235993011 1130825301 /nfs/dbraw/zinc/82/53/01/1130825301.db2.gz ASCLDCQTKHYQLN-UHFFFAOYSA-N 0 1 271.263 3.593 20 0 CHADMN Oc1c(F)cc(F)c(-c2cc(F)c(F)cc2F)c1F ZINC001235995539 1130825628 /nfs/dbraw/zinc/82/56/28/1130825628.db2.gz OZPLXUIIFHQSEC-UHFFFAOYSA-N 0 1 278.151 3.894 20 0 CHADMN COc1ccc(-c2c(F)cc(F)c(O)c2F)c2cc[nH]c21 ZINC001235998932 1130826371 /nfs/dbraw/zinc/82/63/71/1130826371.db2.gz SZPICUOUYBONOX-UHFFFAOYSA-N 0 1 293.244 3.966 20 0 CHADMN Cc1cc(CC(=O)O[C@@H](C)c2ccc(C(C)C)cc2)n[nH]1 ZINC000783454934 1130826597 /nfs/dbraw/zinc/82/65/97/1130826597.db2.gz HPNURBXYWHJWGU-ZDUSSCGKSA-N 0 1 286.375 3.688 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc3oncc3c2)c1F ZINC001235998466 1130826587 /nfs/dbraw/zinc/82/65/87/1130826587.db2.gz NITRCMHKZZMTBR-UHFFFAOYSA-N 0 1 265.190 3.618 20 0 CHADMN CC1(c2ccc(-c3c(F)cc(F)c(O)c3F)cc2)COC1 ZINC001235997986 1130827373 /nfs/dbraw/zinc/82/73/73/1130827373.db2.gz JBJFHHZPRRMWLU-UHFFFAOYSA-N 0 1 294.272 3.764 20 0 CHADMN COc1cc(F)c(-c2c(F)cc(F)c(O)c2F)cc1F ZINC001235999096 1130827663 /nfs/dbraw/zinc/82/76/63/1130827663.db2.gz XUMUXBAZXKSWBR-UHFFFAOYSA-N 0 1 290.187 3.763 20 0 CHADMN Cc1cc(N)c(F)cc1-c1c(F)cc(F)c(O)c1F ZINC001236002074 1130828914 /nfs/dbraw/zinc/82/89/14/1130828914.db2.gz JKYXVSVUCLULLU-UHFFFAOYSA-N 0 1 271.213 3.506 20 0 CHADMN Cc1cc(-c2c(F)cc(F)c(O)c2F)ccc1N(C)C ZINC001236000764 1130830228 /nfs/dbraw/zinc/83/02/28/1130830228.db2.gz WJMKWROUJXSXNN-UHFFFAOYSA-N 0 1 281.277 3.851 20 0 CHADMN Cc1cccc([C@@H](N[C@H]2CCCSC2)c2ccccn2)c1 ZINC000783525746 1130835087 /nfs/dbraw/zinc/83/50/87/1130835087.db2.gz PDHAXJHDRVOFKB-FUHWJXTLSA-N 0 1 298.455 3.965 20 0 CHADMN CSC[C@H]1CCCN(Cc2cnc(Cl)c(C)c2)C1 ZINC000814179600 1130836283 /nfs/dbraw/zinc/83/62/83/1130836283.db2.gz VYGMKDDXRGGPGN-LBPRGKRZSA-N 0 1 284.856 3.618 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN(C)[C@H]1CC(C)(C)OC1=O ZINC000814179776 1130836539 /nfs/dbraw/zinc/83/65/39/1130836539.db2.gz HJDINDBCONKMSM-CABCVRRESA-N 0 1 281.440 3.785 20 0 CHADMN Cc1noc(C)c1CN(C)Cc1ccc2c(c1)CCCC2 ZINC000814168444 1130838216 /nfs/dbraw/zinc/83/82/16/1130838216.db2.gz KVSZYYKRVDRCAT-UHFFFAOYSA-N 0 1 284.403 3.802 20 0 CHADMN CN(C)Cc1ccc(NCCC(C)(C)C)cc1F ZINC000783585904 1130840298 /nfs/dbraw/zinc/84/02/98/1130840298.db2.gz WBYLVARONSIURZ-UHFFFAOYSA-N 0 1 252.377 3.735 20 0 CHADMN C[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)nc1 ZINC001236057532 1130842144 /nfs/dbraw/zinc/84/21/44/1130842144.db2.gz CQNFDUPDSNMVMS-KRWDZBQOSA-N 0 1 296.370 3.604 20 0 CHADMN OCc1ccc(C(F)(F)F)cc1-c1cccc2cncn21 ZINC001236059076 1130843622 /nfs/dbraw/zinc/84/36/22/1130843622.db2.gz IYJPDKGITRYJFH-UHFFFAOYSA-N 0 1 292.260 3.512 20 0 CHADMN Fc1ccc2c(c1)CCN(Cc1ccc3c(c1)NCCC3)C2 ZINC001236094201 1130857368 /nfs/dbraw/zinc/85/73/68/1130857368.db2.gz SPDLOCBTLONPCK-UHFFFAOYSA-N 0 1 296.389 3.742 20 0 CHADMN c1cc(C2CCCCC2)ccc1-c1cc2c(nn1)CNC2 ZINC001236098399 1130860599 /nfs/dbraw/zinc/86/05/99/1130860599.db2.gz GJARLXKBFWTKHM-UHFFFAOYSA-N 0 1 279.387 3.795 20 0 CHADMN CC(C)(C)c1cc(CN2CCc3cc(N)ccc3C2)ccn1 ZINC001236104974 1130864086 /nfs/dbraw/zinc/86/40/86/1130864086.db2.gz DGKIFFMROATZKH-UHFFFAOYSA-N 0 1 295.430 3.520 20 0 CHADMN Cc1ccc(Cl)c(CN2CCc3cc(N)ccc3C2)c1 ZINC001236109171 1130866880 /nfs/dbraw/zinc/86/68/80/1130866880.db2.gz RPOKDKLNKIBQNC-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN COc1cc(C)[nH+]cc1-c1ccc(C(=O)[O-])c(C)c1Cl ZINC001236128499 1130871216 /nfs/dbraw/zinc/87/12/16/1130871216.db2.gz OEJYXHZIGLPDOC-UHFFFAOYSA-N 0 1 291.734 3.726 20 0 CHADMN CN(Cc1c[nH]c2ccccc12)Cc1cccc2c1OCO2 ZINC001204049041 1130871949 /nfs/dbraw/zinc/87/19/49/1130871949.db2.gz BELFGMYAPHICCV-UHFFFAOYSA-N 0 1 294.354 3.529 20 0 CHADMN CN[C@@H]1CCN1Cc1ccc(N(C)c2cccc(C)c2)cc1 ZINC001236167388 1130877702 /nfs/dbraw/zinc/87/77/02/1130877702.db2.gz OAJOVFMBTCMDNA-IBGZPJMESA-N 0 1 295.430 3.514 20 0 CHADMN CN[C@@H]1CCN1Cc1ccc(N(C)c2ccccc2C)cc1 ZINC001236168817 1130878753 /nfs/dbraw/zinc/87/87/53/1130878753.db2.gz VRODUJNSPJLYLD-IBGZPJMESA-N 0 1 295.430 3.514 20 0 CHADMN Cc1ccc(Cl)cc1CN1CCc2ccc(N)cc2C1 ZINC001236232830 1130900152 /nfs/dbraw/zinc/90/01/52/1130900152.db2.gz QNCOUPZPWXABQQ-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN CC(C)Oc1c(F)ccc(-c2ccc3[nH]nnc3c2)c1F ZINC001236342625 1130916382 /nfs/dbraw/zinc/91/63/82/1130916382.db2.gz BTZHVKQQPPZLSX-UHFFFAOYSA-N 0 1 289.285 3.690 20 0 CHADMN CC(C)Oc1c(F)ccc(-c2ccc3nn[nH]c3c2)c1F ZINC001236342625 1130916385 /nfs/dbraw/zinc/91/63/85/1130916385.db2.gz BTZHVKQQPPZLSX-UHFFFAOYSA-N 0 1 289.285 3.690 20 0 CHADMN Nc1cccc2c1CCN(Cc1coc3ccc(F)cc13)C2 ZINC001236363375 1130919257 /nfs/dbraw/zinc/91/92/57/1130919257.db2.gz KAOOKCKJACEZPS-UHFFFAOYSA-N 0 1 296.345 3.712 20 0 CHADMN CC(C)(C)c1cc(CN2CCc3c(N)cccc3C2)ccn1 ZINC001236365335 1130920240 /nfs/dbraw/zinc/92/02/40/1130920240.db2.gz JPGIMFJOLZGZLI-UHFFFAOYSA-N 0 1 295.430 3.520 20 0 CHADMN Cc1cc2ncnc(-c3c(F)ccc(C)c3O)c2s1 ZINC001236392286 1130926335 /nfs/dbraw/zinc/92/63/35/1130926335.db2.gz QKMQUHQKVWHOOF-UHFFFAOYSA-N 0 1 274.320 3.820 20 0 CHADMN COc1nc(C(C)C)ccc1-c1ccc2[nH]cnc2c1 ZINC001236443399 1130942991 /nfs/dbraw/zinc/94/29/91/1130942991.db2.gz NTSGRUALQXNUJM-UHFFFAOYSA-N 0 1 267.332 3.757 20 0 CHADMN CCc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1F ZINC000796893359 1130943336 /nfs/dbraw/zinc/94/33/36/1130943336.db2.gz YBKXCUCLMGSFKN-CQSZACIVSA-N 0 1 259.328 3.601 20 0 CHADMN CC[C@@H](C)n1ncc(N[C@@H]2CCCc3[nH]ncc32)c1C1CC1 ZINC000796898827 1130944806 /nfs/dbraw/zinc/94/48/06/1130944806.db2.gz PATLZUQOUYCEOQ-BXUZGUMPSA-N 0 1 299.422 3.944 20 0 CHADMN CSCc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000796919181 1130945544 /nfs/dbraw/zinc/94/55/44/1130945544.db2.gz TXXSNRXFZLTNGE-CQSZACIVSA-N 0 1 273.405 3.762 20 0 CHADMN CSCc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1 ZINC000796919179 1130945588 /nfs/dbraw/zinc/94/55/88/1130945588.db2.gz TXXSNRXFZLTNGE-AWEZNQCLSA-N 0 1 273.405 3.762 20 0 CHADMN Cc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1-c1ncco1 ZINC000796922561 1130946050 /nfs/dbraw/zinc/94/60/50/1130946050.db2.gz HNPFLHPFPUKKBV-OAHLLOKOSA-N 0 1 294.358 3.863 20 0 CHADMN CC[C@@H]1CCCCCN1Cc1ccnc(Br)c1 ZINC000815052038 1130952153 /nfs/dbraw/zinc/95/21/53/1130952153.db2.gz AFYKSCMFVAZVPL-CYBMUJFWSA-N 0 1 297.240 3.999 20 0 CHADMN COc1ccc(F)c(CNC(C)(C)c2ccc(F)cc2)c1 ZINC000815121025 1130958170 /nfs/dbraw/zinc/95/81/70/1130958170.db2.gz IDXAAVDQTKZZEV-UHFFFAOYSA-N 0 1 291.341 3.998 20 0 CHADMN Cc1ccc(-c2ccc(F)c(CN(C)C)c2)c2c[nH]nc21 ZINC001236506685 1130958738 /nfs/dbraw/zinc/95/87/38/1130958738.db2.gz RJMKQROCEJOZDH-UHFFFAOYSA-N 0 1 283.350 3.739 20 0 CHADMN Cn1ncc(CN[C@@H]2CC(C)(C)c3ccccc32)c1Cl ZINC000815129467 1130960949 /nfs/dbraw/zinc/96/09/49/1130960949.db2.gz OXPNJZFZGXAIRA-CQSZACIVSA-N 0 1 289.810 3.586 20 0 CHADMN CC(C)Oc1cncc(-c2cc(N3CCCC3)ccn2)c1 ZINC001236517212 1130961484 /nfs/dbraw/zinc/96/14/84/1130961484.db2.gz XYPDVENJJHYJTA-UHFFFAOYSA-N 0 1 283.375 3.531 20 0 CHADMN COc1cccc(Br)c1CN1CCCC1(C)C ZINC001236669488 1130991674 /nfs/dbraw/zinc/99/16/74/1130991674.db2.gz HSGIDALGAYBTMU-UHFFFAOYSA-N 0 1 298.224 3.832 20 0 CHADMN C[C@H]1CN(Cc2cc(Cl)nc3ccccc23)[C@H]1C ZINC000815161882 1130963610 /nfs/dbraw/zinc/96/36/10/1130963610.db2.gz CYQNLYUPMHSDHQ-QWRGUYRKSA-N 0 1 260.768 3.728 20 0 CHADMN Fc1ncccc1CNCc1ccc(C2CCC2)cc1 ZINC000815138514 1130965857 /nfs/dbraw/zinc/96/58/57/1130965857.db2.gz UWFUYRHGNZOOSW-UHFFFAOYSA-N 0 1 270.351 3.778 20 0 CHADMN CCOc1ccc(C)c(F)c1-c1cccn2cncc12 ZINC001236537963 1130968338 /nfs/dbraw/zinc/96/83/38/1130968338.db2.gz AUXCWSWBMZQJIG-UHFFFAOYSA-N 0 1 270.307 3.848 20 0 CHADMN Cc1cccc(CN2CC[C@](CF)(C(F)(F)F)C2)c1F ZINC001137672680 1130979358 /nfs/dbraw/zinc/97/93/58/1130979358.db2.gz STEATFIHMLOHLA-CYBMUJFWSA-N 0 1 293.279 3.858 20 0 CHADMN CC[N@@H+](Cc1c(C)cc(Cl)nc1Cl)C(C)C ZINC001236599116 1130981314 /nfs/dbraw/zinc/98/13/14/1130981314.db2.gz NTUWIPZAJOWKSM-UHFFFAOYSA-N 0 1 261.196 3.927 20 0 CHADMN CCN(Cc1c(C)cc(Cl)nc1Cl)C(C)C ZINC001236599116 1130981318 /nfs/dbraw/zinc/98/13/18/1130981318.db2.gz NTUWIPZAJOWKSM-UHFFFAOYSA-N 0 1 261.196 3.927 20 0 CHADMN Cc1cc(Cl)nc(Cl)c1CN1CCC[C@@H]2C[C@@H]21 ZINC001236610961 1130983106 /nfs/dbraw/zinc/98/31/06/1130983106.db2.gz JPTFSDDQTURMLZ-KOLCDFICSA-N 0 1 271.191 3.681 20 0 CHADMN Clc1nccnc1CN1CC[C@H](C2CCCCC2)C1 ZINC001236621079 1130985564 /nfs/dbraw/zinc/98/55/64/1130985564.db2.gz NJUBNTILZKRRPF-ZDUSSCGKSA-N 0 1 279.815 3.532 20 0 CHADMN F[C@H]1CSC2(CN(Cc3cccc4sccc43)C2)C1 ZINC001236690141 1130994306 /nfs/dbraw/zinc/99/43/06/1130994306.db2.gz PXNYWRAZAXSLPE-GFCCVEGCSA-N 0 1 293.432 3.931 20 0 CHADMN C[N@H+](CCc1cccc(Cl)c1)Cc1ccc(F)c([O-])c1 ZINC001236705047 1130995382 /nfs/dbraw/zinc/99/53/82/1130995382.db2.gz JFQDJTDONOKKBM-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN C[N@@H+](CCc1cccc(Cl)c1)Cc1ccc(F)c([O-])c1 ZINC001236705047 1130995383 /nfs/dbraw/zinc/99/53/83/1130995383.db2.gz JFQDJTDONOKKBM-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN C[N@H+](CCc1ccccc1Cl)Cc1ccc(F)c([O-])c1 ZINC001236706085 1130995456 /nfs/dbraw/zinc/99/54/56/1130995456.db2.gz RRYRLXNBZCLNPO-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN C[N@@H+](CCc1ccccc1Cl)Cc1ccc(F)c([O-])c1 ZINC001236706085 1130995459 /nfs/dbraw/zinc/99/54/59/1130995459.db2.gz RRYRLXNBZCLNPO-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN [O-]c1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)ccc1F ZINC001236704173 1130995550 /nfs/dbraw/zinc/99/55/50/1130995550.db2.gz SSJUOYGCHBZTMQ-OAHLLOKOSA-N 0 1 271.335 3.521 20 0 CHADMN [O-]c1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)ccc1F ZINC001236704173 1130995552 /nfs/dbraw/zinc/99/55/52/1130995552.db2.gz SSJUOYGCHBZTMQ-OAHLLOKOSA-N 0 1 271.335 3.521 20 0 CHADMN Cc1cc(CNCc2ccc(F)c(C)c2)cc(Cl)n1 ZINC000797595197 1130996151 /nfs/dbraw/zinc/99/61/51/1130996151.db2.gz ODLCRWZYLKJKDM-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN Cc1c(F)ccc(CN2CC(C)(C)C[C@@]2(C)CO)c1Cl ZINC001236708460 1130997662 /nfs/dbraw/zinc/99/76/62/1130997662.db2.gz PWXWZXKCOGULOU-INIZCTEOSA-N 0 1 299.817 3.770 20 0 CHADMN Cc1c(F)ccc(CN2C3CCC2CC3)c1Cl ZINC001236713204 1130997738 /nfs/dbraw/zinc/99/77/38/1130997738.db2.gz FHWDMRAYYZRZBE-UHFFFAOYSA-N 0 1 253.748 3.914 20 0 CHADMN Oc1cc(C[N@H+]2CCC3(C2)CCCCC3)ccc1F ZINC001236712666 1130998382 /nfs/dbraw/zinc/99/83/82/1130998382.db2.gz GNNVMZIOESLZFS-UHFFFAOYSA-N 0 1 263.356 3.688 20 0 CHADMN [O-]c1cc(C[N@@H+]2CCC3(C2)CCCCC3)ccc1F ZINC001236712666 1130998385 /nfs/dbraw/zinc/99/83/85/1130998385.db2.gz GNNVMZIOESLZFS-UHFFFAOYSA-N 0 1 263.356 3.688 20 0 CHADMN [O-]c1cc(C[N@H+]2CCC3(C2)CCCCC3)ccc1F ZINC001236712666 1130998393 /nfs/dbraw/zinc/99/83/93/1130998393.db2.gz GNNVMZIOESLZFS-UHFFFAOYSA-N 0 1 263.356 3.688 20 0 CHADMN Cc1c(F)ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1Cl ZINC001236719409 1130999171 /nfs/dbraw/zinc/99/91/71/1130999171.db2.gz QPPNSZYCWAZCHX-MRXNPFEDSA-N 0 1 297.801 3.790 20 0 CHADMN Cc1c(F)ccc(CN2CC[C@@]3(C2)CCCOC3)c1Cl ZINC001236719409 1130999175 /nfs/dbraw/zinc/99/91/75/1130999175.db2.gz QPPNSZYCWAZCHX-MRXNPFEDSA-N 0 1 297.801 3.790 20 0 CHADMN Fc1cc(OC(F)F)ccc1CN1C2CCC1CC2 ZINC001236720209 1130999388 /nfs/dbraw/zinc/99/93/88/1130999388.db2.gz JXSUMROOVRXVLA-UHFFFAOYSA-N 0 1 271.282 3.554 20 0 CHADMN c1cc2cccc(CN3CCC[C@@H]3c3ncccn3)c2o1 ZINC001236742490 1131002854 /nfs/dbraw/zinc/00/28/54/1131002854.db2.gz LDTGYGCMMNOUMA-OAHLLOKOSA-N 0 1 279.343 3.560 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2CC[C@H](C)C[C@H]2C)c1 ZINC001236776120 1131004159 /nfs/dbraw/zinc/00/41/59/1131004159.db2.gz QDRNFEXFMVYOKH-NWDGAFQWSA-N 0 1 295.810 3.747 20 0 CHADMN COc1cc(CN2CC[C@@H](C)C[C@@H]2C)c(F)cc1F ZINC001236836365 1131019572 /nfs/dbraw/zinc/01/95/72/1131019572.db2.gz ZXUWWPUAQCABTD-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN CCO[C@H]1CCCN(Cc2cccc(C)c2Cl)C1 ZINC001236854818 1131023123 /nfs/dbraw/zinc/02/31/23/1131023123.db2.gz YXLJVFQLBSFDGM-AWEZNQCLSA-N 0 1 267.800 3.649 20 0 CHADMN CC(C)CN(C)Cc1nc2ccccc2cc1Cl ZINC001236873418 1131026981 /nfs/dbraw/zinc/02/69/81/1131026981.db2.gz WMHVSCZFQVZKGT-UHFFFAOYSA-N 0 1 262.784 3.976 20 0 CHADMN Fc1ccc(CN2CCCC[C@@H](F)C2)c2occc21 ZINC001236889852 1131027678 /nfs/dbraw/zinc/02/76/78/1131027678.db2.gz GTHRIDXZMBCQED-GFCCVEGCSA-N 0 1 265.303 3.896 20 0 CHADMN Clc1cc(CN2CCC[C@H]3C[C@H]32)ccc1-n1cccn1 ZINC001236902063 1131028898 /nfs/dbraw/zinc/02/88/98/1131028898.db2.gz AEXBBCFDUBUDAQ-XJKSGUPXSA-N 0 1 287.794 3.510 20 0 CHADMN Fc1ccc(CN2CC3(C2)CC(F)(F)C3)c2occc21 ZINC001236891341 1131029508 /nfs/dbraw/zinc/02/95/08/1131029508.db2.gz SPRNNEPDHOSMGY-UHFFFAOYSA-N 0 1 281.277 3.803 20 0 CHADMN Fc1ccc(CN2CC(c3cccnc3)C2)c2occc21 ZINC001236897760 1131029778 /nfs/dbraw/zinc/02/97/78/1131029778.db2.gz IOHVCSMAFQZRIX-UHFFFAOYSA-N 0 1 282.318 3.566 20 0 CHADMN COC[C@@H]1CCN1Cc1ccc(-c2cccc(C)c2C)nc1 ZINC001236984758 1131032656 /nfs/dbraw/zinc/03/26/56/1131032656.db2.gz HGVNUENVVIZGKP-KRWDZBQOSA-N 0 1 296.414 3.586 20 0 CHADMN CN(C)Cc1ccc(-c2ccccc2OC(F)(F)F)nc1 ZINC001237014532 1131035886 /nfs/dbraw/zinc/03/58/86/1131035886.db2.gz DJXSXNVMJCCQQT-UHFFFAOYSA-N 0 1 296.292 3.709 20 0 CHADMN C[C@@H]1CCN1Cc1ccc(NC(=O)OC(C)(C)C)c(F)c1 ZINC001237035440 1131037591 /nfs/dbraw/zinc/03/75/91/1131037591.db2.gz BXAJTPPGSVHOID-LLVKDONJSA-N 0 1 294.370 3.767 20 0 CHADMN CC[C@@H]1CCCN1Cc1cc(O)c(C)cc1Br ZINC001237304195 1131081897 /nfs/dbraw/zinc/08/18/97/1131081897.db2.gz KZFJEVGCMXHJCV-GFCCVEGCSA-N 0 1 298.224 3.838 20 0 CHADMN O=c1[n-]c(Cl)c(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)s1 ZINC001237150964 1131058447 /nfs/dbraw/zinc/05/84/47/1131058447.db2.gz LARVIVRDSZUWFZ-ZJUUUORDSA-N 0 1 286.828 3.514 20 0 CHADMN O=c1[n-]c(Cl)c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)s1 ZINC001237150964 1131058453 /nfs/dbraw/zinc/05/84/53/1131058453.db2.gz LARVIVRDSZUWFZ-ZJUUUORDSA-N 0 1 286.828 3.514 20 0 CHADMN O=c1[nH]c(Cl)c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)s1 ZINC001237168905 1131063469 /nfs/dbraw/zinc/06/34/69/1131063469.db2.gz LARVIVRDSZUWFZ-NXEZZACHSA-N 0 1 286.828 3.514 20 0 CHADMN O=c1[n-]c(Cl)c(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)s1 ZINC001237168905 1131063474 /nfs/dbraw/zinc/06/34/74/1131063474.db2.gz LARVIVRDSZUWFZ-NXEZZACHSA-N 0 1 286.828 3.514 20 0 CHADMN O=c1[n-]c(Cl)c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)s1 ZINC001237168905 1131063479 /nfs/dbraw/zinc/06/34/79/1131063479.db2.gz LARVIVRDSZUWFZ-NXEZZACHSA-N 0 1 286.828 3.514 20 0 CHADMN c1cc(CN2CCOCC23CCC3)c2cccccc1-2 ZINC001237189215 1131066185 /nfs/dbraw/zinc/06/61/85/1131066185.db2.gz APHVEBADZYWARJ-UHFFFAOYSA-N 0 1 267.372 3.546 20 0 CHADMN c1cc(CN2CCc3ncccc3C2)c2cccccc1-2 ZINC001237186654 1131066577 /nfs/dbraw/zinc/06/65/77/1131066577.db2.gz CSYOBGDMKDPPAR-UHFFFAOYSA-N 0 1 274.367 3.745 20 0 CHADMN Fc1c(Cl)cccc1CN1CC[C@H](c2ccccn2)C1 ZINC000798965475 1131066646 /nfs/dbraw/zinc/06/66/46/1131066646.db2.gz SRVJGMFKRCZZSC-LBPRGKRZSA-N 0 1 290.769 3.864 20 0 CHADMN Clc1ccc(Cl)c(CN2CCNC3=CCCC[C@@H]32)c1 ZINC001237218512 1131071928 /nfs/dbraw/zinc/07/19/28/1131071928.db2.gz IBMULZASAVOLFJ-HNNXBMFYSA-N 0 1 297.229 3.835 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cc(O)cc(F)c1 ZINC001237281949 1131075876 /nfs/dbraw/zinc/07/58/76/1131075876.db2.gz VPCIKLDWNDNTTL-UHFFFAOYSA-N 0 1 277.314 3.693 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CC[C@H](c2ccccn2)C1 ZINC000799193179 1131076411 /nfs/dbraw/zinc/07/64/11/1131076411.db2.gz HHJOXOKCXVTVJG-STQMWFEESA-N 0 1 288.341 3.910 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1ccncc1C(F)(F)F ZINC001237286794 1131079454 /nfs/dbraw/zinc/07/94/54/1131079454.db2.gz COLRHWGFTUFHTO-QWRGUYRKSA-N 0 1 272.314 3.863 20 0 CHADMN CC(C)(C)OCCCCN1CCC=C(Br)C1 ZINC000799327328 1131079694 /nfs/dbraw/zinc/07/96/94/1131079694.db2.gz ORUPVPXCMJDHRH-UHFFFAOYSA-N 0 1 290.245 3.566 20 0 CHADMN CC(C)(C)c1nc[nH]c1C(=O)Nc1ccc(F)c(Cl)c1 ZINC001135543897 1131080787 /nfs/dbraw/zinc/08/07/87/1131080787.db2.gz PCGOUNVDSYRJLK-UHFFFAOYSA-N 0 1 295.745 3.752 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H]3OCCC[C@H]3C2)c1Cl ZINC001138022828 1131082020 /nfs/dbraw/zinc/08/20/20/1131082020.db2.gz NSARYUBGSCNTJV-WFASDCNBSA-N 0 1 297.801 3.788 20 0 CHADMN CCc1cccc(C)c1CN1CCC[C@H]1c1nc(C)no1 ZINC001237328390 1131082818 /nfs/dbraw/zinc/08/28/18/1131082818.db2.gz CRGIHZJOSQXAHW-INIZCTEOSA-N 0 1 285.391 3.586 20 0 CHADMN COc1ccc2c(c1)[nH]nc2CN1CCC[C@H]2CCCC[C@H]21 ZINC001237390914 1131094562 /nfs/dbraw/zinc/09/45/62/1131094562.db2.gz KSCMFBYJKHZGAB-FZKQIMNGSA-N 0 1 299.418 3.726 20 0 CHADMN CC(C)(C)C(=O)Nc1ccccc1CN1CC2(CCC2)C1 ZINC001237403455 1131095421 /nfs/dbraw/zinc/09/54/21/1131095421.db2.gz IWUBQWXWDWQGCM-UHFFFAOYSA-N 0 1 286.419 3.657 20 0 CHADMN Cc1ncccc1CN(C)Cc1ccc(F)c2cccnc12 ZINC001237433171 1131097116 /nfs/dbraw/zinc/09/71/16/1131097116.db2.gz DJJHVTNEJRCZGJ-UHFFFAOYSA-N 0 1 295.361 3.709 20 0 CHADMN COc1ccc(CN(C)Cc2ccsc2C)cc1F ZINC000816482619 1131098246 /nfs/dbraw/zinc/09/82/46/1131098246.db2.gz MYRCJPLFTYKQDD-UHFFFAOYSA-N 0 1 279.380 3.836 20 0 CHADMN c1c(CN2CCC(c3ccccc3)CC2)nn2ccccc12 ZINC001237448200 1131098954 /nfs/dbraw/zinc/09/89/54/1131098954.db2.gz VYWOGAHGEXADBE-UHFFFAOYSA-N 0 1 291.398 3.714 20 0 CHADMN Cc1nocc1CN1CC=C(c2ccc(C)cc2)CC1 ZINC000816482643 1131099378 /nfs/dbraw/zinc/09/93/78/1131099378.db2.gz NSRUZJKSWKINRX-UHFFFAOYSA-N 0 1 268.360 3.581 20 0 CHADMN Oc1cc(-c2ccc3c(c2)CCC3)c(F)c(F)c1F ZINC001245637778 1131100855 /nfs/dbraw/zinc/10/08/55/1131100855.db2.gz VOQFAGNPCGKVHC-UHFFFAOYSA-N 0 1 264.246 3.965 20 0 CHADMN FC(F)C1CCN(Cc2c(Cl)[nH]c3cnccc32)CC1 ZINC001237460628 1131101381 /nfs/dbraw/zinc/10/13/81/1131101381.db2.gz KKBKOHAACFBRNB-UHFFFAOYSA-N 0 1 299.752 3.693 20 0 CHADMN COc1c(C)cccc1CN1C2CCCC1CCC2 ZINC001237502954 1131106629 /nfs/dbraw/zinc/10/66/29/1131106629.db2.gz BKZFEEGHHCIXHR-UHFFFAOYSA-N 0 1 259.393 3.911 20 0 CHADMN C[C@@H]1CN(Cc2cccc3c(F)cccc23)[C@@H](C)CO1 ZINC001237516785 1131108961 /nfs/dbraw/zinc/10/89/61/1131108961.db2.gz ANNZKLSQBMQFMQ-QWHCGFSZSA-N 0 1 273.351 3.588 20 0 CHADMN C[C@@H]1CN(Cc2cccc3c(F)cccc23)C[C@@H](C)O1 ZINC001237523003 1131109362 /nfs/dbraw/zinc/10/93/62/1131109362.db2.gz RFVROROMSYNASH-CHWSQXEVSA-N 0 1 273.351 3.588 20 0 CHADMN Fc1ccc([C@H]2CCCN2Cc2ccn3nccc3c2)cc1 ZINC001237544901 1131111896 /nfs/dbraw/zinc/11/18/96/1131111896.db2.gz PITSIMHJLRHGJI-GOSISDBHSA-N 0 1 295.361 3.811 20 0 CHADMN Cc1c(CN2CC[C@@](F)(CO)C2)cccc1-c1ccccc1 ZINC001237581167 1131115459 /nfs/dbraw/zinc/11/54/59/1131115459.db2.gz KWHYDCVAPRHYGO-IBGZPJMESA-N 0 1 299.389 3.568 20 0 CHADMN COc1ccc(OC)c(CN2CCC[C@@](C)(F)CC2)c1F ZINC001237573289 1131115474 /nfs/dbraw/zinc/11/54/74/1131115474.db2.gz USPMMNOMVDMEEV-MRXNPFEDSA-N 0 1 299.361 3.557 20 0 CHADMN Cc1c(CN2CC[C@@H](O)[C@H](F)C2)cccc1-c1ccccc1 ZINC001237581721 1131116113 /nfs/dbraw/zinc/11/61/13/1131116113.db2.gz RKUKUECHUBFIAH-RTBURBONSA-N 0 1 299.389 3.567 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)N(Cc2cnn(C)c2Cl)C1 ZINC000816609665 1131116382 /nfs/dbraw/zinc/11/63/82/1131116382.db2.gz IPFPFPVSBMUBFS-WFASDCNBSA-N 0 1 289.810 3.657 20 0 CHADMN CC(C)N(Cc1nnc[nH]1)Cc1ccc(Cl)cc1Cl ZINC001237602609 1131118380 /nfs/dbraw/zinc/11/83/80/1131118380.db2.gz VMERNZNRRFFFHQ-UHFFFAOYSA-N 0 1 299.205 3.522 20 0 CHADMN C[C@@H]1CN(Cc2ccc(CSC(F)F)o2)[C@H]1C ZINC000816647289 1131119245 /nfs/dbraw/zinc/11/92/45/1131119245.db2.gz QJWGJYHXPWKCJP-BDAKNGLRSA-N 0 1 261.337 3.576 20 0 CHADMN Cc1ccnc2cccc(CN3CCc4occc4C3)c12 ZINC001237631326 1131120162 /nfs/dbraw/zinc/12/01/62/1131120162.db2.gz RGLXBQWEWBNDPW-UHFFFAOYSA-N 0 1 278.355 3.695 20 0 CHADMN CCCOc1ccc(CN2C[C@H](C)[C@H]2C)cc1OCC ZINC000816649436 1131121253 /nfs/dbraw/zinc/12/12/53/1131121253.db2.gz ZGAZYPAFRBTKEK-UONOGXRCSA-N 0 1 277.408 3.714 20 0 CHADMN Cc1coc(CN2CCC3(C=Cc4ccccc43)CC2)n1 ZINC001237639575 1131123881 /nfs/dbraw/zinc/12/38/81/1131123881.db2.gz SISOVVKKUYFUNU-UHFFFAOYSA-N 0 1 280.371 3.544 20 0 CHADMN Cc1cc(CN2C[C@H]3[C@H](CF)[C@H]3C2)c(Cl)cc1Cl ZINC001237698012 1131128440 /nfs/dbraw/zinc/12/84/40/1131128440.db2.gz DBYQBNSAXXEYPY-CNDDSTCGSA-N 0 1 288.193 3.949 20 0 CHADMN CC(C)c1ncc(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)[nH]1 ZINC001116126735 1131129878 /nfs/dbraw/zinc/12/98/78/1131129878.db2.gz UTUYRKYIODILNE-ZFWWWQNUSA-N 0 1 297.402 3.551 20 0 CHADMN Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@@]3(CCO3)C2)c1 ZINC001237700774 1131130293 /nfs/dbraw/zinc/13/02/93/1131130293.db2.gz DWRVCNSRQLYMKB-MRXNPFEDSA-N 0 1 279.811 3.712 20 0 CHADMN Cc1cc(C)c(Cl)c(CN2CCC[C@@]3(CCO3)C2)c1 ZINC001237700774 1131130296 /nfs/dbraw/zinc/13/02/96/1131130296.db2.gz DWRVCNSRQLYMKB-MRXNPFEDSA-N 0 1 279.811 3.712 20 0 CHADMN Cc1cc(CN2CCC[C@@H](O)CC2)c(Cl)cc1Cl ZINC001237703105 1131130797 /nfs/dbraw/zinc/13/07/97/1131130797.db2.gz XRJWUEZKRURSET-GFCCVEGCSA-N 0 1 288.218 3.649 20 0 CHADMN COc1ccc(C)c(CN2CCc3cc(F)ccc3C2)c1 ZINC001237716720 1131132783 /nfs/dbraw/zinc/13/27/83/1131132783.db2.gz VSUYUGIFPXTMQO-UHFFFAOYSA-N 0 1 285.362 3.701 20 0 CHADMN CCc1cc(CN2CCC[C@H](C(C)=O)C2)ccc1Cl ZINC001237738415 1131135106 /nfs/dbraw/zinc/13/51/06/1131135106.db2.gz CSVNVSHJLJYFDE-HNNXBMFYSA-N 0 1 279.811 3.703 20 0 CHADMN CCc1cc(CN2CC[C@@H]3CCCO[C@H]3C2)ccc1Cl ZINC001237737456 1131135332 /nfs/dbraw/zinc/13/53/32/1131135332.db2.gz YMASALBCEVTQQO-RDJZCZTQSA-N 0 1 293.838 3.903 20 0 CHADMN Cc1ccc2nc(NC(=O)/C=C3/CC[C@H](C)C3)[nH]c2c1 ZINC000817016986 1131136955 /nfs/dbraw/zinc/13/69/55/1131136955.db2.gz SMOBYJLUKBJWPY-JMZICWNOSA-N 0 1 269.348 3.556 20 0 CHADMN Cc1ccc2nc(NC(=O)/C=C3\CC[C@@H](C)C3)[nH]c2c1 ZINC000817016988 1131137004 /nfs/dbraw/zinc/13/70/04/1131137004.db2.gz SMOBYJLUKBJWPY-QSARLWQPSA-N 0 1 269.348 3.556 20 0 CHADMN CC[C@H]1CCC[N@H+]1Cc1cc(F)c([O-])c(Cl)c1 ZINC001237988371 1131158666 /nfs/dbraw/zinc/15/86/66/1131158666.db2.gz HKASTZFTLUNREF-JTQLQIEISA-N 0 1 257.736 3.559 20 0 CHADMN F[C@@H]1CCN(Cc2cnc(C3CC3)s2)CCC1(F)F ZINC001237785857 1131138925 /nfs/dbraw/zinc/13/89/25/1131138925.db2.gz JOXPZBBFJFGALN-LLVKDONJSA-N 0 1 290.354 3.590 20 0 CHADMN C[C@@H]1CCN(Cc2cnc(C3CC3)s2)CCC1(F)F ZINC001237785777 1131139244 /nfs/dbraw/zinc/13/92/44/1131139244.db2.gz DFFBMNUSLHLPLZ-SNVBAGLBSA-N 0 1 286.391 3.888 20 0 CHADMN COc1ccc(CN2CCCCCCCC2)c(Cl)n1 ZINC001237799713 1131141371 /nfs/dbraw/zinc/14/13/71/1131141371.db2.gz SRYXWZWKGDLECZ-UHFFFAOYSA-N 0 1 282.815 3.900 20 0 CHADMN COc1ccc(CN2CCCC3(CCCC3)C2)c(Cl)n1 ZINC001237790559 1131141635 /nfs/dbraw/zinc/14/16/35/1131141635.db2.gz BPSLQORSQYDQST-UHFFFAOYSA-N 0 1 294.826 3.900 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1ccc(OC)nc1Cl ZINC001237803369 1131142239 /nfs/dbraw/zinc/14/22/39/1131142239.db2.gz PHTYWHULUFQXKX-CYBMUJFWSA-N 0 1 282.815 3.898 20 0 CHADMN COc1cccc(CN(C)C2CCCC2)c1Br ZINC001237862174 1131145082 /nfs/dbraw/zinc/14/50/82/1131145082.db2.gz UZBSEKQMYFKEIY-UHFFFAOYSA-N 0 1 298.224 3.832 20 0 CHADMN COc1ccoc1CN(Cc1ccccc1)C(C)C ZINC001237863375 1131145315 /nfs/dbraw/zinc/14/53/15/1131145315.db2.gz LLNPSQJIRVSDNH-UHFFFAOYSA-N 0 1 259.349 3.699 20 0 CHADMN COc1ccoc1CN1CCC(Cc2ccccc2)CC1 ZINC001237863473 1131145621 /nfs/dbraw/zinc/14/56/21/1131145621.db2.gz NOFUPMUBRAXFAY-UHFFFAOYSA-N 0 1 285.387 3.743 20 0 CHADMN COc1cccc(CN2CCCCCC2)c1Br ZINC001237857053 1131145917 /nfs/dbraw/zinc/14/59/17/1131145917.db2.gz HTFSFKNHCYWASC-UHFFFAOYSA-N 0 1 298.224 3.834 20 0 CHADMN CC(C)c1ocnc1CN1CC[C@H](C)C2(CCC2)C1 ZINC001116458151 1131147977 /nfs/dbraw/zinc/14/79/77/1131147977.db2.gz XLYBZTPBBSTMMS-ZDUSSCGKSA-N 0 1 262.397 3.810 20 0 CHADMN CCCOc1cc(F)ccc1CN1C[C@H]2[C@H](CC2(F)F)C1 ZINC001237909184 1131149856 /nfs/dbraw/zinc/14/98/56/1131149856.db2.gz YMSVMLSPCIMGMZ-OCCSQVGLSA-N 0 1 299.336 3.702 20 0 CHADMN CCCOc1cc(F)ccc1CN(C)C[C@H]1CCCCO1 ZINC001237904603 1131150275 /nfs/dbraw/zinc/15/02/75/1131150275.db2.gz JKYZFNNSENWKSQ-MRXNPFEDSA-N 0 1 295.398 3.615 20 0 CHADMN c1cc2c(o1)CCN(Cc1ccccc1C1CCOCC1)C2 ZINC001237910195 1131150429 /nfs/dbraw/zinc/15/04/29/1131150429.db2.gz USXWBMFVFJUVBW-UHFFFAOYSA-N 0 1 297.398 3.732 20 0 CHADMN CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2cncn2c1C ZINC001116527696 1131151961 /nfs/dbraw/zinc/15/19/61/1131151961.db2.gz KNCVBVIGISNWPJ-PBHICJAKSA-N 0 1 299.418 3.731 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc2cncn2c1C ZINC001116527243 1131152202 /nfs/dbraw/zinc/15/22/02/1131152202.db2.gz BBWICCCARSOVBN-CXAGYDPISA-N 0 1 299.418 3.684 20 0 CHADMN CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc2cncn2c1C ZINC001116547991 1131154128 /nfs/dbraw/zinc/15/41/28/1131154128.db2.gz PXUNWOXWAGFXOH-WMLDXEAASA-N 0 1 299.418 3.731 20 0 CHADMN CSc1ccc(F)c(C)c1-c1nccc(N)c1C ZINC001245755111 1131154272 /nfs/dbraw/zinc/15/42/72/1131154272.db2.gz UPIVDAXKOTWDAV-UHFFFAOYSA-N 0 1 262.353 3.809 20 0 CHADMN C[C@H](NCc1cc(OCC(F)F)ccn1)c1ccccc1 ZINC001116566784 1131155285 /nfs/dbraw/zinc/15/52/85/1131155285.db2.gz VDUTWGPDBBYXLC-LBPRGKRZSA-N 0 1 292.329 3.576 20 0 CHADMN COc1cccc2c1CN(Cc1ccsc1C)CC2 ZINC001237965085 1131156871 /nfs/dbraw/zinc/15/68/71/1131156871.db2.gz VQLOIRAJTZJHHI-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN C[N@@H+](Cc1cc(F)c([O-])c(Cl)c1)CC(C)(C)C ZINC001237989922 1131157609 /nfs/dbraw/zinc/15/76/09/1131157609.db2.gz OXAUGZXSKTVAPM-UHFFFAOYSA-N 0 1 259.752 3.663 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)NOCCC1CC1)c1ccccc1 ZINC000817399255 1131158092 /nfs/dbraw/zinc/15/80/92/1131158092.db2.gz IIEWUUDTMVZPBX-XJKSGUPXSA-N 0 1 275.392 3.664 20 0 CHADMN CC[C@@H]1CCC[N@H+]1Cc1cc(F)c([O-])c(Cl)c1 ZINC001237988372 1131158176 /nfs/dbraw/zinc/15/81/76/1131158176.db2.gz HKASTZFTLUNREF-SNVBAGLBSA-N 0 1 257.736 3.559 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cc(F)c([O-])c(Cl)c2)CC1 ZINC001237984328 1131158349 /nfs/dbraw/zinc/15/83/49/1131158349.db2.gz NRWULHGTFZRIAV-JTQLQIEISA-N 0 1 271.763 3.807 20 0 CHADMN C[C@]1(F)CCCN(Cc2cc(F)c(O)c(Cl)c2)C1 ZINC001237985414 1131158781 /nfs/dbraw/zinc/15/87/81/1131158781.db2.gz XHTYKABYBSVJSC-ZDUSSCGKSA-N 0 1 275.726 3.509 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CCC[C@H](F)CC2)cc1Cl ZINC001237985376 1131158897 /nfs/dbraw/zinc/15/88/97/1131158897.db2.gz WJJALRRYAMEJTR-JTQLQIEISA-N 0 1 275.726 3.509 20 0 CHADMN Cc1cc(CN2CCCO[C@H](C)C2)cc(C)c1Cl ZINC001238088530 1131169204 /nfs/dbraw/zinc/16/92/04/1131169204.db2.gz GNIHAJMSJKNFRT-CYBMUJFWSA-N 0 1 267.800 3.568 20 0 CHADMN Clc1cccc2c1CCN(Cc1cccc3cncn31)C2 ZINC001238117956 1131171669 /nfs/dbraw/zinc/17/16/69/1131171669.db2.gz GAZMPFOSOJNLRV-UHFFFAOYSA-N 0 1 297.789 3.546 20 0 CHADMN CCC[N@H+](Cc1cc(Cl)c([O-])cc1F)CC1CC1 ZINC001238144554 1131174323 /nfs/dbraw/zinc/17/43/23/1131174323.db2.gz VJNMVWCBCYXOEV-UHFFFAOYSA-N 0 1 271.763 3.807 20 0 CHADMN Oc1cc(F)c(CN2Cc3cccc(F)c3C2)cc1Cl ZINC001238152039 1131176803 /nfs/dbraw/zinc/17/68/03/1131176803.db2.gz LDMLPPYDPMBVJK-UHFFFAOYSA-N 0 1 295.716 3.840 20 0 CHADMN COc1cccc([C@H]2CCCCN2Cc2cncnc2C)c1 ZINC001238171005 1131177008 /nfs/dbraw/zinc/17/70/08/1131177008.db2.gz RSGBKOONCARYHN-GOSISDBHSA-N 0 1 297.402 3.521 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1cncc(C2CC2)c1 ZINC001238192751 1131179099 /nfs/dbraw/zinc/17/90/99/1131179099.db2.gz HTFDLWWWRRBUGA-CQSZACIVSA-N 0 1 278.399 3.906 20 0 CHADMN Cc1cc(Cl)c(Cl)cc1CN1CCC[C@@H](O)CC1 ZINC001238262021 1131187227 /nfs/dbraw/zinc/18/72/27/1131187227.db2.gz GZSBZBNMYWWNIT-GFCCVEGCSA-N 0 1 288.218 3.649 20 0 CHADMN CCCO[C@H]1CCN(Cc2cccc(F)c2OC(C)C)C1 ZINC001238318373 1131190195 /nfs/dbraw/zinc/19/01/95/1131190195.db2.gz DTVIBMPWUSIUAT-HNNXBMFYSA-N 0 1 295.398 3.614 20 0 CHADMN Cc1cccnc1CNCc1ccc2sccc2c1 ZINC001117641963 1131190125 /nfs/dbraw/zinc/19/01/25/1131190125.db2.gz QDRHTTFSBIZVNE-UHFFFAOYSA-N 0 1 268.385 3.895 20 0 CHADMN COc1ccc(CN(Cc2cc(C)n[nH]2)C(C)(C)C)cc1 ZINC001117646448 1131190933 /nfs/dbraw/zinc/19/09/33/1131190933.db2.gz ZNJZQORXXKQMJQ-UHFFFAOYSA-N 0 1 287.407 3.527 20 0 CHADMN CO[C@@H]1CCN(Cc2cccc(F)c2OC(C)C)[C@@H](C)C1 ZINC001238336634 1131191047 /nfs/dbraw/zinc/19/10/47/1131191047.db2.gz NEUUNPDBPDSTFJ-DZGCQCFKSA-N 0 1 295.398 3.612 20 0 CHADMN CCN(Cc1cccc(F)c1OC(C)C)C1CC1 ZINC001238331749 1131191124 /nfs/dbraw/zinc/19/11/24/1131191124.db2.gz KRDMUWLLBHEZID-UHFFFAOYSA-N 0 1 251.345 3.597 20 0 CHADMN CCN(C)Cc1cccc(F)c1OCc1ccccc1 ZINC001238332468 1131191322 /nfs/dbraw/zinc/19/13/22/1131191322.db2.gz NVMYSNYIGFVJBF-UHFFFAOYSA-N 0 1 273.351 3.856 20 0 CHADMN Cc1cc([C@@H](C)NCCc2c(F)cccc2Cl)no1 ZINC001117671127 1131191996 /nfs/dbraw/zinc/19/19/96/1131191996.db2.gz XZAWGGQKCVEOPG-SNVBAGLBSA-N 0 1 282.746 3.669 20 0 CHADMN Cc1cc(CN(C)Cc2ccccc2)cnc1OC(C)C ZINC001238374620 1131194627 /nfs/dbraw/zinc/19/46/27/1131194627.db2.gz GBUHAWQJNJVOIH-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN CC(C)(C)Oc1ccc(CNCc2cccn2C2CC2)cn1 ZINC001117744619 1131195381 /nfs/dbraw/zinc/19/53/81/1131195381.db2.gz QCHLTRPRCOTQSO-UHFFFAOYSA-N 0 1 299.418 3.685 20 0 CHADMN CCOc1ccc(CN(C)CCSC)c(Cl)c1 ZINC001238406272 1131196146 /nfs/dbraw/zinc/19/61/46/1131196146.db2.gz SMKLDJJPHKXIIP-UHFFFAOYSA-N 0 1 273.829 3.534 20 0 CHADMN CCCO[C@H]1CCN(Cc2cccc(OC(C)C)c2F)C1 ZINC001238428453 1131199244 /nfs/dbraw/zinc/19/92/44/1131199244.db2.gz XALZSENWSCFDSG-HNNXBMFYSA-N 0 1 295.398 3.614 20 0 CHADMN c1cc(CN2CCC[C@@H]2c2ccccn2)n(C2CC2)c1 ZINC001117783269 1131199698 /nfs/dbraw/zinc/19/96/98/1131199698.db2.gz FOIARIKWNZDTNQ-QGZVFWFLSA-N 0 1 267.376 3.555 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1ncc(C)cc1C ZINC001238436686 1131200506 /nfs/dbraw/zinc/20/05/06/1131200506.db2.gz ZXNAAHKYUJXCDJ-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN CO[C@@H]1CCN(Cc2ccc(OC(C)C)cc2F)[C@@H](C)C1 ZINC001238448231 1131202137 /nfs/dbraw/zinc/20/21/37/1131202137.db2.gz OEZOJPGGYDIQDJ-DZGCQCFKSA-N 0 1 295.398 3.612 20 0 CHADMN C[N@H+]1CCc2cc(-c3c(F)ccc(O)c3Cl)ccc2C1 ZINC001245833044 1131203334 /nfs/dbraw/zinc/20/33/34/1131203334.db2.gz XKJQYGFBQCCVHD-UHFFFAOYSA-N 0 1 291.753 3.840 20 0 CHADMN C[N@@H+]1CCc2cc(-c3c(F)ccc([O-])c3Cl)ccc2C1 ZINC001245833044 1131203339 /nfs/dbraw/zinc/20/33/39/1131203339.db2.gz XKJQYGFBQCCVHD-UHFFFAOYSA-N 0 1 291.753 3.840 20 0 CHADMN C[N@H+]1CCc2cc(-c3c(F)ccc([O-])c3Cl)ccc2C1 ZINC001245833044 1131203341 /nfs/dbraw/zinc/20/33/41/1131203341.db2.gz XKJQYGFBQCCVHD-UHFFFAOYSA-N 0 1 291.753 3.840 20 0 CHADMN C[C@H](NC/C=C\C1CC1)c1ncc(-c2ccccc2)n1C ZINC001117831299 1131203617 /nfs/dbraw/zinc/20/36/17/1131203617.db2.gz MAXDQVBFENZKTE-AFNCTOJWSA-N 0 1 281.403 3.704 20 0 CHADMN COc1c(CN2CCC(C(C)C)CC2)ccc(F)c1F ZINC001238472379 1131205479 /nfs/dbraw/zinc/20/54/79/1131205479.db2.gz LLMPHMORZKQRQV-UHFFFAOYSA-N 0 1 283.362 3.841 20 0 CHADMN COc1c(CN2CCC[C@@H]3CCC[C@H]32)ccc(F)c1F ZINC001238473575 1131205706 /nfs/dbraw/zinc/20/57/06/1131205706.db2.gz RPIYEKAFIUBWEZ-SMDDNHRTSA-N 0 1 281.346 3.738 20 0 CHADMN Cc1ccc(CC2CCN(Cc3ccc(C)nn3)CC2)cc1 ZINC001117948185 1131205878 /nfs/dbraw/zinc/20/58/78/1131205878.db2.gz OSFBLZIUKBQIES-UHFFFAOYSA-N 0 1 295.430 3.548 20 0 CHADMN COc1cnc(CN2CCC[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC001238486885 1131207611 /nfs/dbraw/zinc/20/76/11/1131207611.db2.gz HBPGPAJGOQZKHZ-WBMJQRKESA-N 0 1 294.826 3.898 20 0 CHADMN COc1cnc(CN2CC[C@H]3CCCC[C@H]3C2)c(Cl)c1 ZINC001238487604 1131207912 /nfs/dbraw/zinc/20/79/12/1131207912.db2.gz LWSLWUOYDACXMV-OLZOCXBDSA-N 0 1 294.826 3.756 20 0 CHADMN Cc1c(Cl)ccc(CN2CCC[C@](C)(CO)CC2)c1F ZINC001238511514 1131210021 /nfs/dbraw/zinc/21/00/21/1131210021.db2.gz GDZMATJTMAGFSP-INIZCTEOSA-N 0 1 299.817 3.772 20 0 CHADMN Cc1c(Cl)ccc(CN2CC[C@@H]3OCCC[C@H]3C2)c1F ZINC001238511083 1131211327 /nfs/dbraw/zinc/21/13/27/1131211327.db2.gz CJODJTJPNOPDRT-WFASDCNBSA-N 0 1 297.801 3.788 20 0 CHADMN Cc1c(Cl)ccc(CN2CC[C@H]3O[C@@H](C)C[C@H]3C2)c1F ZINC001238517540 1131211786 /nfs/dbraw/zinc/21/17/86/1131211786.db2.gz XDEOHOMDTJWFFT-VZJVUDMVSA-N 0 1 297.801 3.787 20 0 CHADMN CCCN(CCOC)Cc1ccc(Cl)c(C)c1F ZINC001238515174 1131212790 /nfs/dbraw/zinc/21/27/90/1131212790.db2.gz MNGSAXLJISIPEG-UHFFFAOYSA-N 0 1 273.779 3.646 20 0 CHADMN CC(C)Oc1c(F)ccc(CN2CC[C@@H](C)C2)c1F ZINC001238526710 1131214065 /nfs/dbraw/zinc/21/40/65/1131214065.db2.gz GCUGVANSFLCQKM-LLVKDONJSA-N 0 1 269.335 3.594 20 0 CHADMN Fc1ccc(CN2CC=CC2)cc1-c1ccccc1 ZINC001238560974 1131217064 /nfs/dbraw/zinc/21/70/64/1131217064.db2.gz LTGCQWUNOYATEI-UHFFFAOYSA-N 0 1 253.320 3.865 20 0 CHADMN CCCOC1CCN(Cc2c(F)cc(C)cc2OC)CC1 ZINC001238585485 1131218093 /nfs/dbraw/zinc/21/80/93/1131218093.db2.gz NKWUKMMBYWGLGL-UHFFFAOYSA-N 0 1 295.398 3.534 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cnc(F)c(OC(C)C)c1 ZINC001238601765 1131221737 /nfs/dbraw/zinc/22/17/37/1131221737.db2.gz XRTKZMLXOUVHDK-CQSZACIVSA-N 0 1 280.387 3.772 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccccn2)cnc1C1CC1 ZINC001238617294 1131222811 /nfs/dbraw/zinc/22/28/11/1131222811.db2.gz JZRFLCIDNCYQSM-GOSISDBHSA-N 0 1 293.414 4.000 20 0 CHADMN C[C@@H]1CCN([C@@H]2CCc3cccc(Cl)c3C2)C[C@H]1F ZINC001170920219 1131225846 /nfs/dbraw/zinc/22/58/46/1131225846.db2.gz PDDIZAQGPCZMLF-AXAPSJFSSA-N 0 1 281.802 3.877 20 0 CHADMN CSc1ccc(Cl)cc1CN1CC[C@@](C)(O)[C@@H](C)C1 ZINC001238673199 1131228861 /nfs/dbraw/zinc/22/88/61/1131228861.db2.gz VIZABGUSNVLSMI-XHDPSFHLSA-N 0 1 299.867 3.655 20 0 CHADMN Cc1cc(OC(C)C)cc(C)c1CN1C[C@@H](C)OC[C@H]1C ZINC001238673736 1131229038 /nfs/dbraw/zinc/22/90/38/1131229038.db2.gz OBAURNVIWLLJNJ-HZPDHXFCSA-N 0 1 291.435 3.700 20 0 CHADMN Cc1ccc(N(CC(C)C)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1 ZINC000823434621 1131426247 /nfs/dbraw/zinc/42/62/47/1131426247.db2.gz GUTCTGLLQRYCAU-HZPDHXFCSA-N 0 1 297.402 3.511 20 0 CHADMN C[C@@H]1CCCCN(Cc2cc(F)c(F)cc2F)C1 ZINC001137885176 1131428617 /nfs/dbraw/zinc/42/86/17/1131428617.db2.gz AEADLNOKMSRWJU-SNVBAGLBSA-N 0 1 257.299 3.726 20 0 CHADMN CC(C)[C@@H](NCc1cc(F)ncc1F)c1ccc(F)cc1 ZINC000823602827 1131433135 /nfs/dbraw/zinc/43/31/35/1131433135.db2.gz TVEAXSVVMCHCRW-MRXNPFEDSA-N 0 1 294.320 3.986 20 0 CHADMN COCC1CCC(Nc2ccc(CN(C)C)c(F)c2)CC1 ZINC000823555281 1131433176 /nfs/dbraw/zinc/43/31/76/1131433176.db2.gz SVALORFPMASTKZ-UHFFFAOYSA-N 0 1 294.414 3.504 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2ccc(F)c(F)c2F)C1 ZINC001137940434 1131439418 /nfs/dbraw/zinc/43/94/18/1131439418.db2.gz XLSSTJBMXAVCLO-UWVGGRQHSA-N 0 1 257.299 3.582 20 0 CHADMN CC[C@@H](NCc1cc(C2CC2)nn1C)c1ccc(F)cc1 ZINC000823729695 1131439952 /nfs/dbraw/zinc/43/99/52/1131439952.db2.gz JCGMAAIGXPUMLO-MRXNPFEDSA-N 0 1 287.382 3.678 20 0 CHADMN Fc1cc(CNCc2cc3c(s2)CCCC3)c(F)cn1 ZINC000823723189 1131440078 /nfs/dbraw/zinc/44/00/78/1131440078.db2.gz IJNSZKBISRPGAY-UHFFFAOYSA-N 0 1 294.370 3.590 20 0 CHADMN Cc1cccc2c1CC[C@@H]2NCc1ccnc(Cl)c1F ZINC000823808074 1131441886 /nfs/dbraw/zinc/44/18/86/1131441886.db2.gz ZWEZPDOXLKJJTJ-AWEZNQCLSA-N 0 1 290.769 3.960 20 0 CHADMN CC[C@H]1CCCN(Cc2ccc(C)c(F)c2F)C1 ZINC001137969711 1131444019 /nfs/dbraw/zinc/44/40/19/1131444019.db2.gz FSGKITLAINWVOH-LBPRGKRZSA-N 0 1 253.336 3.895 20 0 CHADMN CCN(C)Cc1c(F)c(Cl)ccc1C(F)(F)F ZINC001137979226 1131446663 /nfs/dbraw/zinc/44/66/63/1131446663.db2.gz AXWMUJFXLNCCCM-UHFFFAOYSA-N 0 1 269.669 3.950 20 0 CHADMN COc1ccc(F)c(CN2CCC3(CC(F)(F)C3)CC2)c1 ZINC001137991340 1131447425 /nfs/dbraw/zinc/44/74/25/1131447425.db2.gz GGMBRGHGYAEHHF-UHFFFAOYSA-N 0 1 299.336 3.846 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C(=O)OC3CCC3)[nH]c2c1 ZINC000830302767 1131450636 /nfs/dbraw/zinc/45/06/36/1131450636.db2.gz VFOXEDYUDXLHBU-OAHLLOKOSA-N 0 1 299.374 3.697 20 0 CHADMN Cc1ccc(CN2CCC(=O)[C@@H](C)CC2)c2ccccc12 ZINC001138014088 1131450993 /nfs/dbraw/zinc/45/09/93/1131450993.db2.gz CIFNKGZGDBJTHX-HNNXBMFYSA-N 0 1 281.399 3.949 20 0 CHADMN Cc1nccc(NCCc2ccccc2C(F)(F)F)c1F ZINC001171041484 1131451413 /nfs/dbraw/zinc/45/14/13/1131451413.db2.gz SKVPLDCLAIGDTB-UHFFFAOYSA-N 0 1 298.283 3.624 20 0 CHADMN Cc1ccc(Cl)c(CN2CC[C@@H]3OCCC[C@H]3C2)c1F ZINC001138031001 1131455511 /nfs/dbraw/zinc/45/55/11/1131455511.db2.gz ZZBONUDEVRHKPT-WFASDCNBSA-N 0 1 297.801 3.788 20 0 CHADMN CN(Cc1ccnc(Cl)c1F)[C@@H]1CCC(C)(C)C1 ZINC000824321393 1131463379 /nfs/dbraw/zinc/46/33/79/1131463379.db2.gz RSFFEEGPUBNETG-LLVKDONJSA-N 0 1 270.779 3.885 20 0 CHADMN Clc1cccc2[nH]c(CN3CC[C@@]4(CCCO4)C3)cc21 ZINC001136858260 1131463608 /nfs/dbraw/zinc/46/36/08/1131463608.db2.gz OTLFUKQAAPPQTB-INIZCTEOSA-N 0 1 290.794 3.576 20 0 CHADMN CC1(C)CN(Cc2cc3c(cccc3Cl)[nH]2)CCCO1 ZINC001136862374 1131465008 /nfs/dbraw/zinc/46/50/08/1131465008.db2.gz IHJRYCRFGYFKNI-UHFFFAOYSA-N 0 1 292.810 3.822 20 0 CHADMN COCC[C@H]1CCCCN1Cc1c(F)ccc(C)c1F ZINC001138118904 1131469196 /nfs/dbraw/zinc/46/91/96/1131469196.db2.gz UCYVCARJKIAJTQ-CYBMUJFWSA-N 0 1 283.362 3.664 20 0 CHADMN CCCCn1nc(C)c(CNCCC(C)(F)F)c1Cl ZINC000824477222 1131470684 /nfs/dbraw/zinc/47/06/84/1131470684.db2.gz MIUGAXYSAVKWSI-UHFFFAOYSA-N 0 1 293.789 3.780 20 0 CHADMN Cc1ccc(CN(C)CCOC2CCCCCC2)nc1 ZINC000831054094 1131477048 /nfs/dbraw/zinc/47/70/48/1131477048.db2.gz QKMGYQRAUDZKTQ-UHFFFAOYSA-N 0 1 276.424 3.561 20 0 CHADMN FC(F)SCc1ccc(CN2CC[C@H]2C2CC2)o1 ZINC000824650749 1131477914 /nfs/dbraw/zinc/47/79/14/1131477914.db2.gz PYGACLIPEIZKKN-LBPRGKRZSA-N 0 1 273.348 3.720 20 0 CHADMN C[C@@H]1CCN(Cc2cc3c(cc2Cl)OCO3)[C@@H](C)C1 ZINC001138244984 1131481706 /nfs/dbraw/zinc/48/17/06/1131481706.db2.gz OSCXDBZCXQXVNY-MNOVXSKESA-N 0 1 281.783 3.689 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1cc2c(cc1Cl)OCO2 ZINC001138244141 1131481718 /nfs/dbraw/zinc/48/17/18/1131481718.db2.gz XZNVMUABACCSBM-WDEREUQCSA-N 0 1 281.783 3.689 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1ccc(Cl)cn1 ZINC001136931702 1131481699 /nfs/dbraw/zinc/48/16/99/1131481699.db2.gz QRQZTULEYFOUCU-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@@H](C(F)F)C2)n1 ZINC001138284010 1131486079 /nfs/dbraw/zinc/48/60/79/1131486079.db2.gz WPTVMYZNBQNMHY-GFCCVEGCSA-N 0 1 298.377 3.736 20 0 CHADMN CC(C)(C)Oc1cccc(CN2CCC[C@@H](C(F)F)C2)n1 ZINC001138284010 1131486082 /nfs/dbraw/zinc/48/60/82/1131486082.db2.gz WPTVMYZNBQNMHY-GFCCVEGCSA-N 0 1 298.377 3.736 20 0 CHADMN CN1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC001138282065 1131486297 /nfs/dbraw/zinc/48/62/97/1131486297.db2.gz ZYOHIJAXCFGSMG-HRCADAONSA-N 0 1 294.483 3.582 20 0 CHADMN COC1(C)CN(Cc2c3ccccc3[nH]c2C(C)(C)C)C1 ZINC001138310957 1131489515 /nfs/dbraw/zinc/48/95/15/1131489515.db2.gz QHCFZRNZKJDDQP-UHFFFAOYSA-N 0 1 286.419 3.686 20 0 CHADMN CCN(c1ccc(N[C@H]2CO[C@@H](C3CC3)C2)cc1)C(C)C ZINC000824963370 1131491313 /nfs/dbraw/zinc/49/13/13/1131491313.db2.gz QEDRBZZVVVMYFM-SJLPKXTDSA-N 0 1 288.435 3.901 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cc(O)cc(O)c1 ZINC001138331234 1131492552 /nfs/dbraw/zinc/49/25/52/1131492552.db2.gz RMAWVDQUZUEIDE-GOSISDBHSA-N 0 1 283.371 3.607 20 0 CHADMN CCc1cccc2c(CN3CCCC(=O)[C@H](C)C3)c[nH]c21 ZINC001138360185 1131494046 /nfs/dbraw/zinc/49/40/46/1131494046.db2.gz ORULAFKOMPBHDU-CYBMUJFWSA-N 0 1 284.403 3.531 20 0 CHADMN CCc1cccc2c(CN3CCCC[C@H]3C(C)=O)c[nH]c21 ZINC001138365972 1131495078 /nfs/dbraw/zinc/49/50/78/1131495078.db2.gz PVZCPGDIKPZTAX-KRWDZBQOSA-N 0 1 284.403 3.674 20 0 CHADMN COc1cccc(F)c1CN(C)CCc1ccc(F)cc1 ZINC001138385174 1131497254 /nfs/dbraw/zinc/49/72/54/1131497254.db2.gz JLUFZPDEZBKGOP-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN Cc1c2ccccc2[nH]c1CN(C)Cc1ccc(C)nc1 ZINC001138400187 1131498462 /nfs/dbraw/zinc/49/84/62/1131498462.db2.gz IWILGRVCRRYUEA-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1ncc(C(F)(F)F)[nH]1 ZINC001137010299 1131504220 /nfs/dbraw/zinc/50/42/20/1131504220.db2.gz MRTYAPKVCHKVKG-SNVBAGLBSA-N 0 1 295.308 3.548 20 0 CHADMN CCOc1ccc(CN2CCc3c(O)cccc3C2)c(C)c1 ZINC001138431070 1131504810 /nfs/dbraw/zinc/50/48/10/1131504810.db2.gz ROCRNSCUGPDTLK-UHFFFAOYSA-N 0 1 297.398 3.658 20 0 CHADMN CC[C@H]1COCCN1Cc1sc2ccccc2c1C ZINC001138462932 1131509170 /nfs/dbraw/zinc/50/91/70/1131509170.db2.gz CBTJGGIDLFJWJM-ZDUSSCGKSA-N 0 1 275.417 3.821 20 0 CHADMN COc1ccc(CN2CCC(C)(F)CC2)cc1Cl ZINC001138470443 1131510576 /nfs/dbraw/zinc/51/05/76/1131510576.db2.gz UZJPIKOJEVWDAY-UHFFFAOYSA-N 0 1 271.763 3.673 20 0 CHADMN CCC[C@]1(C)CCCN(C(=O)c2cccc(F)c2O)C1 ZINC001137031139 1131510627 /nfs/dbraw/zinc/51/06/27/1131510627.db2.gz DLMXNNPOKGFRSC-MRXNPFEDSA-N 0 1 279.355 3.574 20 0 CHADMN Clc1ccc2c(c1)CN(Cc1ccc3nc[nH]c3c1)C2 ZINC001137047743 1131515187 /nfs/dbraw/zinc/51/51/87/1131515187.db2.gz JVKOUTVANYDIOI-UHFFFAOYSA-N 0 1 283.762 3.732 20 0 CHADMN COc1ccc2c(CN3CCC[C@@](C)(F)C3)c[nH]c2c1 ZINC001138585190 1131523397 /nfs/dbraw/zinc/52/33/97/1131523397.db2.gz IHYZFHADLKNCQZ-MRXNPFEDSA-N 0 1 276.355 3.501 20 0 CHADMN COc1ccc(-c2cccc(CN3CCO[C@@H](C)C3)c2)cc1 ZINC001138614039 1131526750 /nfs/dbraw/zinc/52/67/50/1131526750.db2.gz PTEPUTRMQVOGPB-HNNXBMFYSA-N 0 1 297.398 3.583 20 0 CHADMN CCOc1c(F)cc(CN2C[C@H]3CC[C@@H]2C3)cc1Cl ZINC001143745312 1131528234 /nfs/dbraw/zinc/52/82/34/1131528234.db2.gz ULGZTNWQNACPSN-CMPLNLGQSA-N 0 1 283.774 3.862 20 0 CHADMN Cc1c(F)cc(F)cc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001143761648 1131529819 /nfs/dbraw/zinc/52/98/19/1131529819.db2.gz PRAOENMMAOTUNH-OLZOCXBDSA-N 0 1 265.347 3.895 20 0 CHADMN CCCn1ncc(CN(C)Cc2ccccc2C)c1C ZINC001138637800 1131531125 /nfs/dbraw/zinc/53/11/25/1131531125.db2.gz HHZYDQCKPPSMQG-UHFFFAOYSA-N 0 1 271.408 3.542 20 0 CHADMN C[C@@]1(CF)CCN(Cc2cc(F)ccc2Cl)C1 ZINC001138672040 1131534775 /nfs/dbraw/zinc/53/47/75/1131534775.db2.gz OVGNGYOAMFPACF-ZDUSSCGKSA-N 0 1 259.727 3.661 20 0 CHADMN CC[C@H]1CCCN1Cc1cc(F)c(OC)c(Cl)c1 ZINC001143847285 1131537379 /nfs/dbraw/zinc/53/73/79/1131537379.db2.gz HBJQAFFBLBONAO-NSHDSACASA-N 0 1 271.763 3.862 20 0 CHADMN COc1c(F)cc(CN2CCC3(CCC3)C2)cc1Cl ZINC001143848378 1131539586 /nfs/dbraw/zinc/53/95/86/1131539586.db2.gz WAZFWCADYXYCLN-UHFFFAOYSA-N 0 1 283.774 3.864 20 0 CHADMN COc1cc(C)c(CN2CCCC[C@H]2C(C)=O)c(C)c1C ZINC001138724484 1131543082 /nfs/dbraw/zinc/54/30/82/1131543082.db2.gz HDAUSCAVSKGBOW-KRWDZBQOSA-N 0 1 289.419 3.564 20 0 CHADMN COc1cc(Cl)cc(CN2C[C@H](C)C[C@@H](C)C2)c1OC ZINC001138746362 1131544614 /nfs/dbraw/zinc/54/46/14/1131544614.db2.gz ZOYVXMPDVUAVPO-VXGBXAGGSA-N 0 1 297.826 3.835 20 0 CHADMN CCC[C@H](C(=O)NOCC(F)F)c1ccc(Cl)cc1 ZINC000832185133 1131545596 /nfs/dbraw/zinc/54/55/96/1131545596.db2.gz CZBRMLKUTVXEHL-NSHDSACASA-N 0 1 291.725 3.537 20 0 CHADMN COc1ccc(CN2CC[C@H]3CCC[C@H]3C2)c(F)c1F ZINC001143905096 1131550575 /nfs/dbraw/zinc/55/05/75/1131550575.db2.gz UJHQHGHFTHLRDQ-NEPJUHHUSA-N 0 1 281.346 3.595 20 0 CHADMN COc1ccc(CN2CC[C@H]3CCC[C@@H]3C2)c(F)c1F ZINC001143905099 1131551128 /nfs/dbraw/zinc/55/11/28/1131551128.db2.gz UJHQHGHFTHLRDQ-VXGBXAGGSA-N 0 1 281.346 3.595 20 0 CHADMN CN(Cc1c[nH]c2c1cccc2Cl)Cc1ccncc1 ZINC001138830963 1131554102 /nfs/dbraw/zinc/55/41/02/1131554102.db2.gz ZYFPFIMKSYRXIZ-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN COc1ccc(CN2CCCCCCC2)c(F)c1F ZINC001143914715 1131554236 /nfs/dbraw/zinc/55/42/36/1131554236.db2.gz DQRZXXZMTAMOHR-UHFFFAOYSA-N 0 1 269.335 3.740 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cnc2ccccc2n1 ZINC001138865584 1131555938 /nfs/dbraw/zinc/55/59/38/1131555938.db2.gz NXMRNTVBVSIWHJ-UHFFFAOYSA-N 0 1 295.361 3.791 20 0 CHADMN CCOc1ccc(F)c(CN2CC3CCC(CC3)C2)c1F ZINC001143941794 1131557300 /nfs/dbraw/zinc/55/73/00/1131557300.db2.gz BWNYSNUTDGRFKY-UHFFFAOYSA-N 0 1 295.373 3.986 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H](C)C[C@@H]2C)cs1 ZINC001138886743 1131557514 /nfs/dbraw/zinc/55/75/14/1131557514.db2.gz COFJSAXKBOAYIH-NEPJUHHUSA-N 0 1 252.427 3.887 20 0 CHADMN CC(=O)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2C)C1 ZINC001143930100 1131557992 /nfs/dbraw/zinc/55/79/92/1131557992.db2.gz LHWVIOSOKISGPE-AWEZNQCLSA-N 0 1 299.336 3.815 20 0 CHADMN Fc1c(F)c(F)c(CNC2(C3CCC3)CC2)c(F)c1F ZINC000844415467 1131560318 /nfs/dbraw/zinc/56/03/18/1131560318.db2.gz CVAKAKLFZRRJNW-UHFFFAOYSA-N 0 1 291.263 3.804 20 0 CHADMN C[C@H]1CN(Cc2nnc(C(C)(C)C)o2)CCc2ccccc21 ZINC000844424487 1131561137 /nfs/dbraw/zinc/56/11/37/1131561137.db2.gz CKKGRTYTAXNUDL-ZDUSSCGKSA-N 0 1 299.418 3.529 20 0 CHADMN CCCN(Cc1c(F)ccc(OC)c1F)CC(C)C ZINC001143982874 1131561831 /nfs/dbraw/zinc/56/18/31/1131561831.db2.gz CBDNIKZTEIEHAP-UHFFFAOYSA-N 0 1 271.351 3.841 20 0 CHADMN CCCCOc1cccc(CN2CCC[C@@H]2CF)c1 ZINC001138957808 1131564728 /nfs/dbraw/zinc/56/47/28/1131564728.db2.gz NFCYIQKVEXNXDP-OAHLLOKOSA-N 0 1 265.372 3.799 20 0 CHADMN CCCCOc1cccc(CN(C)Cc2ccccn2)c1 ZINC001138955477 1131565054 /nfs/dbraw/zinc/56/50/54/1131565054.db2.gz UZHJWVFGTFBQBW-UHFFFAOYSA-N 0 1 284.403 3.893 20 0 CHADMN COc1ccc(F)c(CN2CC3CCC(CC3)C2)c1F ZINC001143980515 1131566416 /nfs/dbraw/zinc/56/64/16/1131566416.db2.gz NKRQPCLZVBCUDU-UHFFFAOYSA-N 0 1 281.346 3.595 20 0 CHADMN CC(C)COc1ccc(CN(C)C2CC(F)(F)C2)cc1 ZINC001138969047 1131566572 /nfs/dbraw/zinc/56/65/72/1131566572.db2.gz NFESLFAIEBOMOF-UHFFFAOYSA-N 0 1 283.362 3.951 20 0 CHADMN CCOc1ccc(CN2CC3(C2)CCCC3)c(OCC)c1 ZINC001138981814 1131568841 /nfs/dbraw/zinc/56/88/41/1131568841.db2.gz YQXNCEPLEIYFTH-UHFFFAOYSA-N 0 1 289.419 3.860 20 0 CHADMN Cl/C=C\CN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000844473916 1131569768 /nfs/dbraw/zinc/56/97/68/1131569768.db2.gz NBMOVSHIJXLCMZ-CPMARKCISA-N 0 1 277.795 3.734 20 0 CHADMN Cl/C=C/CN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000844473915 1131570020 /nfs/dbraw/zinc/57/00/20/1131570020.db2.gz NBMOVSHIJXLCMZ-BIYXSLEMSA-N 0 1 277.795 3.734 20 0 CHADMN CCOc1ccc(Cl)cc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001139009409 1131571170 /nfs/dbraw/zinc/57/11/70/1131571170.db2.gz MASRUWUCKQPTEY-LEWSCRJBSA-N 0 1 283.774 3.671 20 0 CHADMN CCOc1ccc(Cl)cc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001139008439 1131571494 /nfs/dbraw/zinc/57/14/94/1131571494.db2.gz ZKKKPDLDZQQQOW-LEWSCRJBSA-N 0 1 283.774 3.529 20 0 CHADMN CCOc1ccc(Cl)cc1CN(C)C[C@H]1CCCCO1 ZINC001139009738 1131571604 /nfs/dbraw/zinc/57/16/04/1131571604.db2.gz RLUCGACIWGINKR-OAHLLOKOSA-N 0 1 297.826 3.740 20 0 CHADMN CCOc1ccc(Cl)cc1CN1C[C@H]2CC[C@@H]1C2 ZINC001139011337 1131572853 /nfs/dbraw/zinc/57/28/53/1131572853.db2.gz OOOLKHRXSRMEGS-SMDDNHRTSA-N 0 1 265.784 3.723 20 0 CHADMN c1ccc(Oc2ccccc2CN2CC[C@@]23CCOC3)cc1 ZINC001139055797 1131577181 /nfs/dbraw/zinc/57/71/81/1131577181.db2.gz OMCZQADODXSDBV-IBGZPJMESA-N 0 1 295.382 3.844 20 0 CHADMN Clc1cc2c(cc1Cl)C[C@H](NCc1ncco1)CC2 ZINC001171132679 1131577238 /nfs/dbraw/zinc/57/72/38/1131577238.db2.gz FUJUCNILSNFMJP-LLVKDONJSA-N 0 1 297.185 3.629 20 0 CHADMN C[C@@H]1CCN(Cc2cc3c(c(Cl)c2)OCO3)[C@H](C)C1 ZINC001139075812 1131580151 /nfs/dbraw/zinc/58/01/51/1131580151.db2.gz SAPGHZJOYNVMES-GHMZBOCLSA-N 0 1 281.783 3.689 20 0 CHADMN C[C@H]1CCN(Cc2cc3c(c(Cl)c2)OCO3)[C@@H](C)C1 ZINC001139075814 1131580172 /nfs/dbraw/zinc/58/01/72/1131580172.db2.gz SAPGHZJOYNVMES-QWRGUYRKSA-N 0 1 281.783 3.689 20 0 CHADMN C[C@@H]1CCN(Cc2cc3c(c(Cl)c2)OCO3)[C@@H](C)C1 ZINC001139075813 1131580370 /nfs/dbraw/zinc/58/03/70/1131580370.db2.gz SAPGHZJOYNVMES-MNOVXSKESA-N 0 1 281.783 3.689 20 0 CHADMN CN(Cc1nccs1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171136805 1131580871 /nfs/dbraw/zinc/58/08/71/1131580871.db2.gz WKRNVWMQNQXDOV-CQSZACIVSA-N 0 1 292.835 3.786 20 0 CHADMN COc1ccc(CN(C)C2CC(C)C2)c(Cl)c1OC ZINC001139114330 1131582171 /nfs/dbraw/zinc/58/21/71/1131582171.db2.gz CHHVCTDNGSZWJR-UHFFFAOYSA-N 0 1 283.799 3.588 20 0 CHADMN COc1ccc(CN2C[C@@H](C)CC23CC3)c(Cl)c1OC ZINC001139118747 1131583596 /nfs/dbraw/zinc/58/35/96/1131583596.db2.gz NFCSUMDFQYNQDN-NSHDSACASA-N 0 1 295.810 3.732 20 0 CHADMN CCn1ccc2ccc(CN3CCCC[C@H]3C(C)=O)cc21 ZINC001139124202 1131584311 /nfs/dbraw/zinc/58/43/11/1131584311.db2.gz KNGCOFDISIAREX-KRWDZBQOSA-N 0 1 284.403 3.605 20 0 CHADMN C[C@]1(F)CCCN(Cc2ccc3cccnc3c2)C1 ZINC001139166218 1131590832 /nfs/dbraw/zinc/59/08/32/1131590832.db2.gz LKYLMCZKHPZPOS-INIZCTEOSA-N 0 1 258.340 3.559 20 0 CHADMN Cc1cccc2[nH]cc(CN3CC[C@@](C)(F)[C@H](F)C3)c21 ZINC001139191731 1131593741 /nfs/dbraw/zinc/59/37/41/1131593741.db2.gz BFEWDAPTMPJJNZ-GDBMZVCRSA-N 0 1 278.346 3.748 20 0 CHADMN CCCC1CCN(Cc2[nH]nc3ccc(F)cc32)CC1 ZINC001144197780 1131595761 /nfs/dbraw/zinc/59/57/61/1131595761.db2.gz XVPIAZPNPMPCDB-UHFFFAOYSA-N 0 1 275.371 3.714 20 0 CHADMN COc1ccccc1CN(C)Cc1ccc2ccn(C)c2c1 ZINC001139204038 1131596263 /nfs/dbraw/zinc/59/62/63/1131596263.db2.gz GVFIRKKPGYPMEH-UHFFFAOYSA-N 0 1 294.398 3.819 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc3nsnc3c2)CCC1(F)F ZINC001139210061 1131597332 /nfs/dbraw/zinc/59/73/32/1131597332.db2.gz GGFGCLPOYRSLIK-JTQLQIEISA-N 0 1 297.374 3.559 20 0 CHADMN C[C@H]1CCN(Cc2ccc3nsnc3c2)CCC1(F)F ZINC001139210061 1131597334 /nfs/dbraw/zinc/59/73/34/1131597334.db2.gz GGFGCLPOYRSLIK-JTQLQIEISA-N 0 1 297.374 3.559 20 0 CHADMN Cc1cc(Br)cc(CN2CCC3(CC3)C2)c1 ZINC001144214739 1131598403 /nfs/dbraw/zinc/59/84/03/1131598403.db2.gz NYCQNKCEWUKCOL-UHFFFAOYSA-N 0 1 280.209 3.743 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1n[nH]c2ccc(F)cc21 ZINC001144202500 1131599344 /nfs/dbraw/zinc/59/93/44/1131599344.db2.gz RXHJUBKXKYWQBK-VMPITWQZSA-N 0 1 295.361 3.847 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1[nH]nc2ccc(F)cc21 ZINC001144202500 1131599346 /nfs/dbraw/zinc/59/93/46/1131599346.db2.gz RXHJUBKXKYWQBK-VMPITWQZSA-N 0 1 295.361 3.847 20 0 CHADMN C[C@@H]1CCN(Cc2ccc3cc(O)ccc3c2)C[C@H]1F ZINC001139337761 1131602539 /nfs/dbraw/zinc/60/25/39/1131602539.db2.gz ZUJGYPRCLYERSL-SJKOYZFVSA-N 0 1 273.351 3.725 20 0 CHADMN F[C@H]1CN(Cc2ccc(-c3ccsc3)nc2)C[C@@H]2C[C@@H]21 ZINC001139497979 1131611376 /nfs/dbraw/zinc/61/13/76/1131611376.db2.gz AGHNNLQOTLWMTO-KKUMJFAQSA-N 0 1 288.391 3.600 20 0 CHADMN Fc1cccc2c1CN(Cc1cnc(-c3ccccc3)[nH]1)C2 ZINC001139554547 1131615496 /nfs/dbraw/zinc/61/54/96/1131615496.db2.gz CCHJDCIKCXLDMI-UHFFFAOYSA-N 0 1 293.345 3.732 20 0 CHADMN CCc1ccc(CN(C)Cc2cc(Cl)ccn2)cc1 ZINC001139566197 1131616804 /nfs/dbraw/zinc/61/68/04/1131616804.db2.gz ULMAZKMMCDKULB-UHFFFAOYSA-N 0 1 274.795 3.929 20 0 CHADMN CCc1cccc(C[N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c1 ZINC001144326666 1131618169 /nfs/dbraw/zinc/61/81/69/1131618169.db2.gz LSUAZYNIVLDVNN-LJQANCHMSA-N 0 1 293.410 3.954 20 0 CHADMN Cc1cnc(Cl)c(CN2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001139588617 1131618176 /nfs/dbraw/zinc/61/81/76/1131618176.db2.gz SGLSDTWNYVWSAY-TXEJJXNPSA-N 0 1 286.753 3.521 20 0 CHADMN Cc1cnc(Cl)c(CN2CCC[C@H](C)[C@@H]2C)c1 ZINC001139589901 1131618257 /nfs/dbraw/zinc/61/82/57/1131618257.db2.gz KLIKFZOZCMBPBH-RYUDHWBXSA-N 0 1 252.789 3.664 20 0 CHADMN CCOc1ccncc1CN1CCC[C@H]1c1cccs1 ZINC001139628916 1131624574 /nfs/dbraw/zinc/62/45/74/1131624574.db2.gz FATYDDPNUNRXBD-AWEZNQCLSA-N 0 1 288.416 3.879 20 0 CHADMN Cc1nc2cc(C)ccn2c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001139677590 1131627819 /nfs/dbraw/zinc/62/78/19/1131627819.db2.gz OWKYJCZQNYZSFO-HZPDHXFCSA-N 0 1 283.419 3.716 20 0 CHADMN Cc1nc2cc(C)ccn2c1CN1CCC[C@H]2CCC[C@H]21 ZINC001139677590 1131627822 /nfs/dbraw/zinc/62/78/22/1131627822.db2.gz OWKYJCZQNYZSFO-HZPDHXFCSA-N 0 1 283.419 3.716 20 0 CHADMN COc1ncc(Cl)cc1CN1CCCCC[C@@H]1C ZINC001139748099 1131634400 /nfs/dbraw/zinc/63/44/00/1131634400.db2.gz KMMBLRZCPLANMB-NSHDSACASA-N 0 1 268.788 3.508 20 0 CHADMN COc1ncc(Cl)cc1CN1CCC[C@H]2CCCC[C@@H]21 ZINC001139749859 1131635062 /nfs/dbraw/zinc/63/50/62/1131635062.db2.gz MFWMXKSEKAIPSS-DOMZBBRYSA-N 0 1 294.826 3.898 20 0 CHADMN COCc1ccc(CN2CCc3c(C)cccc3C2)s1 ZINC001139823970 1131638883 /nfs/dbraw/zinc/63/88/83/1131638883.db2.gz KWXNISXLHILURF-UHFFFAOYSA-N 0 1 287.428 3.761 20 0 CHADMN COCc1ccc(CN2CCc3cc(C)ccc3C2)s1 ZINC001139829145 1131640409 /nfs/dbraw/zinc/64/04/09/1131640409.db2.gz FOENXUOBTVTSKT-UHFFFAOYSA-N 0 1 287.428 3.761 20 0 CHADMN COc1cc(Cl)cc(C[N@H+]2CC[C@](C)(CF)C2)c1 ZINC001144478220 1131641500 /nfs/dbraw/zinc/64/15/00/1131641500.db2.gz DCNYLNZACFXQTD-CQSZACIVSA-N 0 1 271.763 3.530 20 0 CHADMN COc1cc(Cl)cc(CN2CC[C@](C)(CF)C2)c1 ZINC001144478220 1131641502 /nfs/dbraw/zinc/64/15/02/1131641502.db2.gz DCNYLNZACFXQTD-CQSZACIVSA-N 0 1 271.763 3.530 20 0 CHADMN FC1(F)CC2(CN(Cc3ccccc3C3CC3)C2)C1 ZINC001139878945 1131644899 /nfs/dbraw/zinc/64/48/99/1131644899.db2.gz CMSVAEFATKFBKC-UHFFFAOYSA-N 0 1 263.331 3.795 20 0 CHADMN COc1cc(Cl)cc(CN2CCC(C(F)F)CC2)c1 ZINC001144488525 1131645087 /nfs/dbraw/zinc/64/50/87/1131645087.db2.gz LRTFSMGJKIBIPJ-UHFFFAOYSA-N 0 1 289.753 3.826 20 0 CHADMN CSc1ccccc1[C@@H]1CCCN1Cc1cccnn1 ZINC001139973737 1131653714 /nfs/dbraw/zinc/65/37/14/1131653714.db2.gz HIPXGYFXKPUQQM-HNNXBMFYSA-N 0 1 285.416 3.536 20 0 CHADMN [O-]c1cc(F)c(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c(F)c1 ZINC001144554620 1131655735 /nfs/dbraw/zinc/65/57/35/1131655735.db2.gz CMHHNBMZKVOOKO-NEPJUHHUSA-N 0 1 281.346 3.683 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c(F)c1 ZINC001144554620 1131655738 /nfs/dbraw/zinc/65/57/38/1131655738.db2.gz CMHHNBMZKVOOKO-NEPJUHHUSA-N 0 1 281.346 3.683 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001140051782 1131658684 /nfs/dbraw/zinc/65/86/84/1131658684.db2.gz SOSIWBNPPJMBES-ZDUSSCGKSA-N 0 1 289.325 3.660 20 0 CHADMN Oc1ccc(F)c(CN2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001140051782 1131658685 /nfs/dbraw/zinc/65/86/85/1131658685.db2.gz SOSIWBNPPJMBES-ZDUSSCGKSA-N 0 1 289.325 3.660 20 0 CHADMN COc1ccc2[nH]nc(C[NH+]3CCC4(CCCC4)CC3)c2c1 ZINC001140063969 1131661528 /nfs/dbraw/zinc/66/15/28/1131661528.db2.gz CAQZJKONYHLYKU-UHFFFAOYSA-N 0 1 299.418 3.728 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(C(F)(F)F)ccn2)CC1 ZINC001140104686 1131663703 /nfs/dbraw/zinc/66/37/03/1131663703.db2.gz XOEQQJSFBMVWNQ-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN CSCCN(C)Cc1cnc(-c2ccc(F)cc2)s1 ZINC001140098324 1131664163 /nfs/dbraw/zinc/66/41/63/1131664163.db2.gz LOYGCYQSOXQNNN-UHFFFAOYSA-N 0 1 296.436 3.744 20 0 CHADMN c1csc([C@@H]2CCCN2Cc2ncn3ccccc23)c1 ZINC001144622823 1131668874 /nfs/dbraw/zinc/66/88/74/1131668874.db2.gz MRJJMYXZFOGSKE-HNNXBMFYSA-N 0 1 283.400 3.733 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1ccc(C)c(OC)c1)C2 ZINC001140158809 1131669221 /nfs/dbraw/zinc/66/92/21/1131669221.db2.gz ZHUGSXZXIIVABX-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN COc1cc(CN2Cc3cccc(C)c3C2)ccc1C ZINC001140157192 1131669614 /nfs/dbraw/zinc/66/96/14/1131669614.db2.gz WLLPUNVPSDNWOR-UHFFFAOYSA-N 0 1 267.372 3.828 20 0 CHADMN CC[C@H](NC(=O)C=CC1CCCCCC1)c1ncc[nH]1 ZINC000845953137 1131669798 /nfs/dbraw/zinc/66/97/98/1131669798.db2.gz VGZRXNWJGISOGO-HBWSCVEGSA-N 0 1 275.396 3.504 20 0 CHADMN CCc1cccc(CNC(=O)c2ccc(O)c(Cl)c2)c1 ZINC001144645312 1131676968 /nfs/dbraw/zinc/67/69/68/1131676968.db2.gz SDJAQICYNIGRRO-UHFFFAOYSA-N 0 1 289.762 3.538 20 0 CHADMN O=C([O-])c1ccsc1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001144677483 1131679998 /nfs/dbraw/zinc/67/99/98/1131679998.db2.gz RUSRBEKWQVTCHR-YPMHNXCESA-N 0 1 279.405 3.601 20 0 CHADMN CC[N@@H+](Cc1sccc1C(=O)[O-])Cc1ccc(F)cc1 ZINC001144677561 1131680226 /nfs/dbraw/zinc/68/02/26/1131680226.db2.gz VFIOXOXHQWARHQ-UHFFFAOYSA-N 0 1 293.363 3.608 20 0 CHADMN CCCCCC[C@@](C)(CC)C(=O)N1CCC2(CN(C)C2)C1 ZINC000834526173 1131681704 /nfs/dbraw/zinc/68/17/04/1131681704.db2.gz JHTYJWUEDVEMIF-QGZVFWFLSA-N 0 1 294.483 3.537 20 0 CHADMN O=C1CCN(Cc2cccc3cc[nH]c32)[C@H]2CCCC[C@H]12 ZINC001144705497 1131685579 /nfs/dbraw/zinc/68/55/79/1131685579.db2.gz NADHKNAEGKDFOW-HOTGVXAUSA-N 0 1 282.387 3.502 20 0 CHADMN CCOc1ccc2[nH]cc(CN3CCC[C@](C)(F)C3)c2c1 ZINC001140268063 1131685942 /nfs/dbraw/zinc/68/59/42/1131685942.db2.gz RXVFZRDRQDEIFB-KRWDZBQOSA-N 0 1 290.382 3.891 20 0 CHADMN CCCCOc1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000846112733 1131687291 /nfs/dbraw/zinc/68/72/91/1131687291.db2.gz XIMCKBZSFCIJMC-GASCZTMLSA-N 0 1 281.346 3.562 20 0 CHADMN Cc1cc([C@H](C)NCc2cccc3c2OCCO3)cs1 ZINC000834650992 1131690818 /nfs/dbraw/zinc/69/08/18/1131690818.db2.gz SQLGWIFDFPVCMU-LBPRGKRZSA-N 0 1 289.400 3.679 20 0 CHADMN c1ccc(-c2cccnc2)c(CN2CCOCC23CCC3)c1 ZINC001140320210 1131696114 /nfs/dbraw/zinc/69/61/14/1131696114.db2.gz GHYCVSNXYWYKRO-UHFFFAOYSA-N 0 1 294.398 3.504 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1ccccc1-c1cccnc1 ZINC001140320339 1131696369 /nfs/dbraw/zinc/69/63/69/1131696369.db2.gz JOFOQYCOXBSMBL-IBGZPJMESA-N 0 1 294.398 3.692 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@H](c1ccccc1F)[C@H](C)O ZINC000846184809 1131696595 /nfs/dbraw/zinc/69/65/95/1131696595.db2.gz VYTALCRDZUVMRU-AGRHKRQWSA-N 0 1 299.389 3.833 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCCC[C@](C)(F)C3)c2c1 ZINC001140329500 1131698736 /nfs/dbraw/zinc/69/87/36/1131698736.db2.gz YWPGLVUSJFYAJH-INIZCTEOSA-N 0 1 275.371 3.585 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCC(C(F)(F)F)CC3)c2c1 ZINC001140329017 1131698986 /nfs/dbraw/zinc/69/89/86/1131698986.db2.gz OWGROCGJMSGSEB-UHFFFAOYSA-N 0 1 297.324 3.646 20 0 CHADMN FC(F)(F)[C@H]1CCN(Cc2ccc3scnc3c2)C1 ZINC001144739044 1131699296 /nfs/dbraw/zinc/69/92/96/1131699296.db2.gz RBWGLZNVZHHNHF-JTQLQIEISA-N 0 1 286.322 3.681 20 0 CHADMN Cc1ccc2[nH]nc(CN3CCC[C@H]3c3ccncc3)c2c1 ZINC001140331187 1131700126 /nfs/dbraw/zinc/70/01/26/1131700126.db2.gz ZGQYHFIAUZCPBY-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCC[C@H]3c3ccncc3)c2c1 ZINC001140331187 1131700130 /nfs/dbraw/zinc/70/01/30/1131700130.db2.gz ZGQYHFIAUZCPBY-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1ccc2[nH]nc(CN3C4CCCC3CCC4)c2c1 ZINC001140333710 1131701390 /nfs/dbraw/zinc/70/13/90/1131701390.db2.gz NMEGHUMSJVYBKO-UHFFFAOYSA-N 0 1 269.392 3.778 20 0 CHADMN Cc1ccc2n[nH]c(CN3C4CCCC3CCC4)c2c1 ZINC001140333710 1131701396 /nfs/dbraw/zinc/70/13/96/1131701396.db2.gz NMEGHUMSJVYBKO-UHFFFAOYSA-N 0 1 269.392 3.778 20 0 CHADMN CCCCN(CCC)Cc1c(F)ccc(F)c1OC ZINC001144754716 1131703372 /nfs/dbraw/zinc/70/33/72/1131703372.db2.gz MPFDQKIXSJZUJS-UHFFFAOYSA-N 0 1 271.351 3.986 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCCCC[C@@H]1C ZINC001144754670 1131703437 /nfs/dbraw/zinc/70/34/37/1131703437.db2.gz KWLKWHBPLVUMGI-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN Cc1cc(Cl)ccc1C[N@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000846275726 1131705327 /nfs/dbraw/zinc/70/53/27/1131705327.db2.gz VFNOOYACGSDNBH-CQSZACIVSA-N 0 1 283.799 3.580 20 0 CHADMN CC[C@@H](NCc1cc(C)cc(Cl)n1)c1ccncc1 ZINC000834794149 1131706518 /nfs/dbraw/zinc/70/65/18/1131706518.db2.gz PKWRDZHIGLXKOD-CQSZACIVSA-N 0 1 275.783 3.679 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001140362566 1131706697 /nfs/dbraw/zinc/70/66/97/1131706697.db2.gz PRWYEXLCXBKVCP-NSHDSACASA-N 0 1 299.871 3.629 20 0 CHADMN C[C@H]1CCCN(Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001140362566 1131706700 /nfs/dbraw/zinc/70/67/00/1131706700.db2.gz PRWYEXLCXBKVCP-NSHDSACASA-N 0 1 299.871 3.629 20 0 CHADMN CC(C)[C@@H]1COCCN1Cc1ccc(-c2ccccn2)cc1 ZINC001140381206 1131708261 /nfs/dbraw/zinc/70/82/61/1131708261.db2.gz QVUBZZXAQKXDPN-IBGZPJMESA-N 0 1 296.414 3.605 20 0 CHADMN CCCC[C@@H](N[C@H]1CCn2ccnc21)c1ccccc1 ZINC000834835663 1131710100 /nfs/dbraw/zinc/71/01/00/1131710100.db2.gz IIJAOBGXOOWJTQ-CVEARBPZSA-N 0 1 269.392 3.849 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@H]1NCc1cc(F)cnc1Cl ZINC000834839940 1131711116 /nfs/dbraw/zinc/71/11/16/1131711116.db2.gz FZAKJOCPJVMWCY-BMIGLBTASA-N 0 1 290.769 3.897 20 0 CHADMN C[C@H]1CCCN1Cc1sc(NC(C)(C)C)nc1Cl ZINC001140390528 1131711951 /nfs/dbraw/zinc/71/19/51/1131711951.db2.gz RCRLYAJEJBZUIK-VIFPVBQESA-N 0 1 287.860 3.991 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1cc(C)cs1 ZINC000834884420 1131717644 /nfs/dbraw/zinc/71/76/44/1131717644.db2.gz ZENRIYVYBPXQCC-JTQLQIEISA-N 0 1 264.394 3.766 20 0 CHADMN CN(Cc1cnc(-c2cccc(F)c2)s1)C1CC1 ZINC001140417075 1131720789 /nfs/dbraw/zinc/72/07/89/1131720789.db2.gz ZMIIWCIAEODOEA-UHFFFAOYSA-N 0 1 262.353 3.543 20 0 CHADMN Cc1cc(Cl)cc(Cl)c1O[C@@H]1CCCN(C)C1 ZINC001227724825 1131728687 /nfs/dbraw/zinc/72/86/87/1131728687.db2.gz NIERHNDDTWPLDL-LLVKDONJSA-N 0 1 274.191 3.775 20 0 CHADMN Clc1ccc2ncc(CN3CC[C@H]4CCC[C@H]4C3)n2c1 ZINC001140429672 1131733978 /nfs/dbraw/zinc/73/39/78/1131733978.db2.gz PJONQNAWHARBLQ-OLZOCXBDSA-N 0 1 289.810 3.610 20 0 CHADMN Clc1cccc2[nH]cc(CN3CCC[C@]4(CCO4)C3)c21 ZINC001140447231 1131739903 /nfs/dbraw/zinc/73/99/03/1131739903.db2.gz UOSRWOJDCIIZKB-INIZCTEOSA-N 0 1 290.794 3.576 20 0 CHADMN C[C@H](c1ccco1)N(Cc1ccc2nonc2c1)C1CC1 ZINC000846831136 1131740652 /nfs/dbraw/zinc/74/06/52/1131740652.db2.gz JRZFPNFTRGFHFZ-LLVKDONJSA-N 0 1 283.331 3.541 20 0 CHADMN Fc1cc(CN2C3CCCC2CCC3)cnc1Cl ZINC000846806585 1131743502 /nfs/dbraw/zinc/74/35/02/1131743502.db2.gz OSDRMTHIOBGLOJ-UHFFFAOYSA-N 0 1 268.763 3.781 20 0 CHADMN COc1ccc([C@@H](C)NCc2cnc(Cl)c(F)c2)cc1 ZINC000846843520 1131748452 /nfs/dbraw/zinc/74/84/52/1131748452.db2.gz RFMPARDXVYXCKA-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN COc1cc(F)cc(CN2Cc3ccccc3C[C@H]2C)c1 ZINC001140484580 1131760532 /nfs/dbraw/zinc/76/05/32/1131760532.db2.gz VFFRTAWJYUZXDF-CYBMUJFWSA-N 0 1 285.362 3.781 20 0 CHADMN COc1cc(F)cc(CN(C)C/C=C/c2ccccc2)c1 ZINC001140484354 1131760577 /nfs/dbraw/zinc/76/05/77/1131760577.db2.gz NOOOZKQDYUKASM-RMKNXTFCSA-N 0 1 285.362 3.980 20 0 CHADMN CCC(C)(C)OCCNCc1ccnc(Cl)c1Cl ZINC000835084598 1131769739 /nfs/dbraw/zinc/76/97/39/1131769739.db2.gz HFBIMWSFEQBOQS-UHFFFAOYSA-N 0 1 291.222 3.683 20 0 CHADMN CC(C)N(Cc1cccc(O)c1Br)C(C)C ZINC001140547083 1131788110 /nfs/dbraw/zinc/78/81/10/1131788110.db2.gz HUIVVAYPFIEFQA-UHFFFAOYSA-N 0 1 286.213 3.774 20 0 CHADMN CSC1CCN(Cc2cccc(F)c2Cl)CC1 ZINC001140563431 1131794237 /nfs/dbraw/zinc/79/42/37/1131794237.db2.gz WOWICJXZLJRRSD-UHFFFAOYSA-N 0 1 273.804 3.807 20 0 CHADMN CN1CC[C@@H](Oc2c(Cl)cc(Cl)c3cccnc32)C1 ZINC001228091638 1131807123 /nfs/dbraw/zinc/80/71/23/1131807123.db2.gz CUQTVOCNMGJMBU-SECBINFHSA-N 0 1 297.185 3.625 20 0 CHADMN CC1(C)CC[C@H](Nc2cc(Cl)nc3[nH]cnc32)C1 ZINC001161033892 1131818372 /nfs/dbraw/zinc/81/83/72/1131818372.db2.gz SLERMZXMYWRTDS-QMMMGPOBSA-N 0 1 264.760 3.602 20 0 CHADMN CCc1cccc(O[C@@H]2CC[N@H+]([C@@H](C)c3ccccn3)C2)c1 ZINC001228240772 1131836222 /nfs/dbraw/zinc/83/62/22/1131836222.db2.gz TWTXBRRZCLAIIY-MAUKXSAKSA-N 0 1 296.414 3.858 20 0 CHADMN c1sc2ccccc2c1CN1CCc2cnccc2C1 ZINC001140636188 1131837086 /nfs/dbraw/zinc/83/70/86/1131837086.db2.gz CNQYIMFYWDRDAT-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN CN1CC[C@@H](Oc2ccc3ccccc3c2Cl)C1 ZINC001228251239 1131838730 /nfs/dbraw/zinc/83/87/30/1131838730.db2.gz IZYQWWGUMLVOQD-GFCCVEGCSA-N 0 1 261.752 3.576 20 0 CHADMN F[C@H]1CN(Cc2cccc3ccncc32)CCCC1(F)F ZINC001140639906 1131839758 /nfs/dbraw/zinc/83/97/58/1131839758.db2.gz DGYDDZXBVJADEU-HNNXBMFYSA-N 0 1 294.320 3.804 20 0 CHADMN C[C@]1(F)CCN(Cc2cccc3ccncc32)C[C@@H]1F ZINC001140640346 1131842123 /nfs/dbraw/zinc/84/21/23/1131842123.db2.gz MCAQPQSBBLBMIL-HOTGVXAUSA-N 0 1 276.330 3.507 20 0 CHADMN Cc1nc2ccc(O[C@@H](C)c3cccnc3F)cc2[nH]1 ZINC001228328842 1131859328 /nfs/dbraw/zinc/85/93/28/1131859328.db2.gz JLZZPQPQJXMBBQ-VIFPVBQESA-N 0 1 271.295 3.545 20 0 CHADMN Cc1nc2ccc(OCc3cccnc3OC(C)C)cc2[nH]1 ZINC001228329191 1131859642 /nfs/dbraw/zinc/85/96/42/1131859642.db2.gz LZIBYVMNXVLJQM-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN CC[C@@H](C)[C@H](C)N(CC(=O)c1cc(C)[nH]c1C)C1CC1 ZINC000348104536 1131881437 /nfs/dbraw/zinc/88/14/37/1131881437.db2.gz QEYVHPDHGUHQSJ-RISCZKNCSA-N 0 1 276.424 3.713 20 0 CHADMN CN(CCc1ccncc1)Cc1cc(F)c(Cl)cc1F ZINC001140701658 1131881937 /nfs/dbraw/zinc/88/19/37/1131881937.db2.gz VFZVGEGONNLOPL-UHFFFAOYSA-N 0 1 296.748 3.688 20 0 CHADMN C[C@@H](Oc1[nH]c(=O)ncc1Cl)c1cccc(Cl)c1 ZINC001228482352 1131893154 /nfs/dbraw/zinc/89/31/54/1131893154.db2.gz LPDMSCRXVBFDJF-SSDOTTSWSA-N 0 1 285.130 3.629 20 0 CHADMN F[C@@H]1C[C@@H]2C[C@H]1CN2Cc1c(Cl)ncc2ccccc21 ZINC001140723741 1131896263 /nfs/dbraw/zinc/89/62/63/1131896263.db2.gz UVFYBQPLYCKPOP-SLEUVZQESA-N 0 1 290.769 3.821 20 0 CHADMN CC(C)C1CCC(Oc2nc(Cl)nc3nc[nH]c32)CC1 ZINC001228510808 1131899302 /nfs/dbraw/zinc/89/93/02/1131899302.db2.gz XMLWDBSGSHLLRP-UHFFFAOYSA-N 0 1 294.786 3.600 20 0 CHADMN Cc1ccccc1[C@H](C)NCc1nc2cc(F)ccc2n1C ZINC000772999337 1131910789 /nfs/dbraw/zinc/91/07/89/1131910789.db2.gz JEDHYAYALFLNQG-ZDUSSCGKSA-N 0 1 297.377 3.872 20 0 CHADMN c1oc2ccccc2c1CN1CCC[C@H]1c1cnccn1 ZINC001140786877 1131917749 /nfs/dbraw/zinc/91/77/49/1131917749.db2.gz OMCCCKMNPIGOIE-INIZCTEOSA-N 0 1 279.343 3.560 20 0 CHADMN CCCCC[C@H](C)NCc1nnc(C(C)(C)C)s1 ZINC000773040685 1131927706 /nfs/dbraw/zinc/92/77/06/1131927706.db2.gz LIOLMRVTCLIBIV-NSHDSACASA-N 0 1 269.458 3.894 20 0 CHADMN C[C@@H]1CCN(Cc2cc(O)cc(Cl)c2)[C@@H](C)C1 ZINC001140794578 1131921076 /nfs/dbraw/zinc/92/10/76/1131921076.db2.gz QTPLBGSOBOEQCN-MNOVXSKESA-N 0 1 253.773 3.666 20 0 CHADMN CN(CCOc1ccccc1)Cc1cc(O)cc(Cl)c1 ZINC001140794696 1131921635 /nfs/dbraw/zinc/92/16/35/1131921635.db2.gz VZVQOQOVLFOFCX-UHFFFAOYSA-N 0 1 291.778 3.556 20 0 CHADMN Brc1cccc2nc(OC3CCCC3)[nH]c21 ZINC001228681202 1131933022 /nfs/dbraw/zinc/93/30/22/1131933022.db2.gz GLXZNYATBNHREL-UHFFFAOYSA-N 0 1 281.153 3.647 20 0 CHADMN Cc1nccc(NCc2cccc3sccc32)c1F ZINC001171378603 1131935614 /nfs/dbraw/zinc/93/56/14/1131935614.db2.gz GWKVNGQCTPFLJH-UHFFFAOYSA-N 0 1 272.348 3.778 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCCc3c[nH]nc32)ccc1F ZINC000773067947 1131936158 /nfs/dbraw/zinc/93/61/58/1131936158.db2.gz YOSPHESUVAIBPQ-ABAIWWIYSA-N 0 1 273.355 3.585 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCCc3c[nH]nc32)ccc1F ZINC000773067964 1131936677 /nfs/dbraw/zinc/93/66/77/1131936677.db2.gz YOSPHESUVAIBPQ-XHDPSFHLSA-N 0 1 273.355 3.585 20 0 CHADMN CC[N@@H+](Cc1cc(Cl)c([O-])c(Cl)c1)C1CC1 ZINC001140828952 1131938805 /nfs/dbraw/zinc/93/88/05/1131938805.db2.gz BPQQOXMTNOSIIA-UHFFFAOYSA-N 0 1 260.164 3.683 20 0 CHADMN CCC[N@@H+](CC)Cc1cc(Cl)c([O-])c(Cl)c1 ZINC001140830564 1131940717 /nfs/dbraw/zinc/94/07/17/1131940717.db2.gz XZNFOUWFAJZDIS-UHFFFAOYSA-N 0 1 262.180 3.931 20 0 CHADMN Cc1cc([C@H](C)NCc2cccc(F)n2)cc(C)c1F ZINC000773086512 1131941160 /nfs/dbraw/zinc/94/11/60/1131941160.db2.gz JTIOPJWTWJXABD-LBPRGKRZSA-N 0 1 276.330 3.827 20 0 CHADMN [O-]c1c(Cl)cc(C[N@H+]2CCC3(CC3)C2)cc1Cl ZINC001140834845 1131941331 /nfs/dbraw/zinc/94/13/31/1131941331.db2.gz FQRBRAFXINPASP-UHFFFAOYSA-N 0 1 272.175 3.685 20 0 CHADMN CC(C)Oc1ccc([C@@H](C)NCc2cccc(F)n2)cc1 ZINC000773086425 1131941631 /nfs/dbraw/zinc/94/16/31/1131941631.db2.gz IWUJTXCILGJWQW-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN C[C@@H](N[C@H](c1cccnc1)C1CC1)c1cccnc1Cl ZINC000773115408 1131947150 /nfs/dbraw/zinc/94/71/50/1131947150.db2.gz BNIZQXWUCLISLO-ABAIWWIYSA-N 0 1 287.794 3.932 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc[nH]1)c1cnn(Cc2ccccc2)c1 ZINC000773116290 1131948726 /nfs/dbraw/zinc/94/87/26/1131948726.db2.gz IUOGOXJOQDLUAA-GJZGRUSLSA-N 0 1 294.402 3.671 20 0 CHADMN CC(C)[C@@H](NCc1cnn(C)c1Cl)c1ccc(F)cc1 ZINC000712494245 1131956236 /nfs/dbraw/zinc/95/62/36/1131956236.db2.gz CJURDXWSOFDKPN-CQSZACIVSA-N 0 1 295.789 3.700 20 0 CHADMN [O-]c1ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c(F)c1F ZINC001140892461 1131958132 /nfs/dbraw/zinc/95/81/32/1131958132.db2.gz OCKYMUXVOMEXIC-YPMHNXCESA-N 0 1 281.346 3.825 20 0 CHADMN Cc1cc(OC(F)(F)F)ccc1CN1C[C@@H](C)[C@@H](F)C1 ZINC001140963078 1131973052 /nfs/dbraw/zinc/97/30/52/1131973052.db2.gz NEGPFTLINWPRIJ-MFKMUULPSA-N 0 1 291.288 3.683 20 0 CHADMN COc1cc(F)cc(CNc2nc(C)cc3cc[nH]c32)c1 ZINC001171411333 1131978883 /nfs/dbraw/zinc/97/88/83/1131978883.db2.gz ULTHXTMHNOONJG-UHFFFAOYSA-N 0 1 285.322 3.631 20 0 CHADMN CC1(C)CN(Cc2ccc(-c3ccccn3)s2)C1 ZINC001141002838 1131981633 /nfs/dbraw/zinc/98/16/33/1131981633.db2.gz JEECTIUZBLNVEW-UHFFFAOYSA-N 0 1 258.390 3.652 20 0 CHADMN Oc1cccc2ccc(C[N@H+]3CCCC(F)(F)CC3)nc12 ZINC001141020027 1131984833 /nfs/dbraw/zinc/98/48/33/1131984833.db2.gz WPDAYHYAPMQZIP-UHFFFAOYSA-N 0 1 292.329 3.562 20 0 CHADMN Oc1cccc2ccc(CN3CC(c4ccccc4)C3)nc12 ZINC001141021621 1131987738 /nfs/dbraw/zinc/98/77/38/1131987738.db2.gz HAWIJEXILDAMIG-UHFFFAOYSA-N 0 1 290.366 3.540 20 0 CHADMN Oc1cccc2ccc(CN3CC[C@@H]3c3ccccc3)nc12 ZINC001141021763 1131987750 /nfs/dbraw/zinc/98/77/50/1131987750.db2.gz KPFZNEGHFOPIFX-QGZVFWFLSA-N 0 1 290.366 3.887 20 0 CHADMN c1cc2c(O[C@@H]3CC[C@@H]4CCCC[C@H]4C3)nnc-2c[nH]1 ZINC001228990593 1131993264 /nfs/dbraw/zinc/99/32/64/1131993264.db2.gz QZUDRMNGBYQIQY-RWMBFGLXSA-N 0 1 271.364 3.696 20 0 CHADMN CCC[C@@H]1CCCC[C@@H]1Oc1nnc2c[nH]ccc1-2 ZINC001228989105 1131993492 /nfs/dbraw/zinc/99/34/92/1131993492.db2.gz DVXSHCPACZBSHQ-RISCZKNCSA-N 0 1 259.353 3.696 20 0 CHADMN CC(C)[C@@H](Oc1nnc2c[nH]ccc1-2)c1ccccc1 ZINC001228989842 1131993582 /nfs/dbraw/zinc/99/35/82/1131993582.db2.gz KYFCNLFYYLNZGE-OAHLLOKOSA-N 0 1 267.332 3.734 20 0 CHADMN CC(C)C1CCC(Oc2nnc3c[nH]ccc2-3)CC1 ZINC001228989312 1131993641 /nfs/dbraw/zinc/99/36/41/1131993641.db2.gz GFSKDNULWSAQCU-UHFFFAOYSA-N 0 1 259.353 3.552 20 0 CHADMN CCC[C@@H](Oc1nnc2c[nH]ccc1-2)c1ccccc1 ZINC001228990870 1131994034 /nfs/dbraw/zinc/99/40/34/1131994034.db2.gz URPNZYFMRSJMRB-OAHLLOKOSA-N 0 1 267.332 3.878 20 0 CHADMN Cc1ccc(OC(C)C)c(COc2nnc3c[nH]ccc2-3)c1 ZINC001228991345 1131994254 /nfs/dbraw/zinc/99/42/54/1131994254.db2.gz YQMSHQODEWEYNO-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccns2)s1 ZINC000715912477 1131994970 /nfs/dbraw/zinc/99/49/70/1131994970.db2.gz UEIUPNFJVNBRPR-NXEZZACHSA-N 0 1 252.408 3.925 20 0 CHADMN CCC[C@@H](C)[C@H](Oc1nnc2c[nH]ccc1-2)C(C)C ZINC001228995020 1131995190 /nfs/dbraw/zinc/99/51/90/1131995190.db2.gz KZMDRTDBZLYFSY-BXUZGUMPSA-N 0 1 261.369 3.798 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cccc2F)c1ccns1 ZINC000715956421 1131997550 /nfs/dbraw/zinc/99/75/50/1131997550.db2.gz VTYDVZONXYYXPC-TVQRCGJNSA-N 0 1 262.353 3.620 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](C)c2ccns2)ccc1F ZINC000715934491 1131997699 /nfs/dbraw/zinc/99/76/99/1131997699.db2.gz XXORLCVIFSJBEV-ZJUUUORDSA-N 0 1 280.368 3.703 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(F)c1)c1ccns1 ZINC000715969625 1131999934 /nfs/dbraw/zinc/99/99/34/1131999934.db2.gz YCLJZEPRMKBEPY-VHSXEESVSA-N 0 1 250.342 3.694 20 0 CHADMN C[C@H](N[C@@H]1CCCc2sccc21)c1ccns1 ZINC000716030627 1132001443 /nfs/dbraw/zinc/00/14/43/1132001443.db2.gz NAUVVFCFTNSTRP-GXSJLCMTSA-N 0 1 264.419 3.933 20 0 CHADMN C[C@H](N[C@H]1CCCc2ccc(O)cc21)c1ccns1 ZINC000716052782 1132002972 /nfs/dbraw/zinc/00/29/72/1132002972.db2.gz CGYDOPCXUXFWQX-HZMBPMFUSA-N 0 1 274.389 3.577 20 0 CHADMN COc1cc(OCc2ccccc2)ccc1CN1CC=CC1 ZINC001141078879 1132007150 /nfs/dbraw/zinc/00/71/50/1132007150.db2.gz MMDCMVUXSSMLBU-UHFFFAOYSA-N 0 1 295.382 3.646 20 0 CHADMN CC[C@H](CSC)N(C)Cn1ccc(-c2ccccc2)n1 ZINC000773254599 1132013908 /nfs/dbraw/zinc/01/39/08/1132013908.db2.gz FOKVZYMNXNLAKF-OAHLLOKOSA-N 0 1 289.448 3.581 20 0 CHADMN Cc1ccc(-c2ccc(Nc3nccnc3CN)cc2)cc1 ZINC001171447397 1132023853 /nfs/dbraw/zinc/02/38/53/1132023853.db2.gz DEUUOYDNLIFBMT-UHFFFAOYSA-N 0 1 290.370 3.654 20 0 CHADMN Cc1ccc(-c2ccccc2)cc1Nc1nccnc1CN ZINC001171449698 1132032352 /nfs/dbraw/zinc/03/23/52/1132032352.db2.gz WJIDQUQOXDIERF-UHFFFAOYSA-N 0 1 290.370 3.654 20 0 CHADMN Cc1ccc(CN2CCC3(CC(F)(F)CO3)CC2)c(F)c1 ZINC001141191210 1132039146 /nfs/dbraw/zinc/03/91/46/1132039146.db2.gz DAMLWKLVFJZYAR-UHFFFAOYSA-N 0 1 299.336 3.524 20 0 CHADMN Cc1ccc(CN2CC[C@H](OCc3ccccc3)C2)c(F)c1 ZINC001141194700 1132039616 /nfs/dbraw/zinc/03/96/16/1132039616.db2.gz KBXWZKQYVZMOFM-SFHVURJKSA-N 0 1 299.389 3.925 20 0 CHADMN COc1cccc(CN2CCC(F)(F)C(C)(C)C2)c1F ZINC001141219978 1132045065 /nfs/dbraw/zinc/04/50/65/1132045065.db2.gz GEFYFQVJWVFVJT-UHFFFAOYSA-N 0 1 287.325 3.702 20 0 CHADMN CCc1ccccc1CN1CCCC(F)(F)[C@@H](F)C1 ZINC001141224224 1132047434 /nfs/dbraw/zinc/04/74/34/1132047434.db2.gz KEOQSTLEBSTBSG-AWEZNQCLSA-N 0 1 271.326 3.818 20 0 CHADMN Cc1nc2cc(NC(C)(C)c3ccncc3)ccc2[nH]1 ZINC001171514270 1132047622 /nfs/dbraw/zinc/04/76/22/1132047622.db2.gz BKXIONXUOPADEL-UHFFFAOYSA-N 0 1 266.348 3.614 20 0 CHADMN C/C(=C/C(=O)Nc1ccc(F)c(F)c1O)C(C)(C)C ZINC000837266377 1132061034 /nfs/dbraw/zinc/06/10/34/1132061034.db2.gz OVWXGJDVQUHXPL-FPLPWBNLSA-N 0 1 269.291 3.601 20 0 CHADMN Cc1cnc2c(c1)CN([C@@H]1CCc3c(C)cccc3C1)CC2 ZINC001171580738 1132061820 /nfs/dbraw/zinc/06/18/20/1132061820.db2.gz YNFPORHTLNJLFL-GOSISDBHSA-N 0 1 292.426 3.614 20 0 CHADMN CC(C)(C)c1nnc(CN2CCC[C@@H]2CC2CCCC2)[nH]1 ZINC001171631643 1132063300 /nfs/dbraw/zinc/06/33/00/1132063300.db2.gz ONOKDLFLPGMJLI-CQSZACIVSA-N 0 1 290.455 3.647 20 0 CHADMN O=c1cc(-c2ccccc2)oc2c1ccc(O)c2OC1CC1 ZINC001229432112 1132066164 /nfs/dbraw/zinc/06/61/64/1132066164.db2.gz MBIKWVVIHCNDEX-UHFFFAOYSA-N 0 1 294.306 3.707 20 0 CHADMN CCCOc1ccc(-c2cccc3[nH]nnc32)c(F)c1 ZINC001206142067 1132066170 /nfs/dbraw/zinc/06/61/70/1132066170.db2.gz BWWSXVQOXHLPQP-UHFFFAOYSA-N 0 1 271.295 3.553 20 0 CHADMN Cc1ccc(CC[C@H](C)N2CC3(C2)CCCCO3)cc1 ZINC001171669573 1132074853 /nfs/dbraw/zinc/07/48/53/1132074853.db2.gz ABHURHBERVCRQQ-INIZCTEOSA-N 0 1 273.420 3.571 20 0 CHADMN Cc1cc(F)c(CN2CCC(C3CC3)CC2)c(F)c1 ZINC001206143690 1132076565 /nfs/dbraw/zinc/07/65/65/1132076565.db2.gz VVJJBDKBBRGKFN-UHFFFAOYSA-N 0 1 265.347 3.895 20 0 CHADMN CC[C@H]1CN(Cc2cc3ccccc3o2)[C@@H](CC)CO1 ZINC001171778116 1132095027 /nfs/dbraw/zinc/09/50/27/1132095027.db2.gz IQLSDVQNWUSPSH-GJZGRUSLSA-N 0 1 273.376 3.822 20 0 CHADMN C[C@H]1CC[N@H+]1Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001141350451 1132097051 /nfs/dbraw/zinc/09/70/51/1132097051.db2.gz DXCZIAYUXMKPCC-ZDUSSCGKSA-N 0 1 281.355 3.646 20 0 CHADMN CN(Cc1cccc(F)c1F)[C@@H]1Cc2cccc(F)c2C1 ZINC001171811493 1132105404 /nfs/dbraw/zinc/10/54/04/1132105404.db2.gz YQJGHKMYIBWGNF-CYBMUJFWSA-N 0 1 291.316 3.703 20 0 CHADMN COc1ccc2nc(O[C@@H]3CCc4c3cccc4C)[nH]c2c1 ZINC001229727849 1132111261 /nfs/dbraw/zinc/11/12/61/1132111261.db2.gz SWUNFXUGSZYZST-QGZVFWFLSA-N 0 1 294.354 3.946 20 0 CHADMN COc1ccc2nc(O[C@H]3CCc4cccc(C)c43)[nH]c2c1 ZINC001229726215 1132111595 /nfs/dbraw/zinc/11/15/95/1132111595.db2.gz DTSMUYKWBJOCFC-INIZCTEOSA-N 0 1 294.354 3.946 20 0 CHADMN Fc1cccc(CCNCc2occc2Br)c1 ZINC000227364823 1132117594 /nfs/dbraw/zinc/11/75/94/1132117594.db2.gz FSGCZGKPRLAXKT-UHFFFAOYSA-N 0 1 298.155 3.514 20 0 CHADMN Oc1ccc2c(c1)[C@H](NCc1cc3ccccc3o1)CC2 ZINC001203180942 1132120183 /nfs/dbraw/zinc/12/01/83/1132120183.db2.gz JDWADVJEDGUFMI-QGZVFWFLSA-N 0 1 279.339 3.916 20 0 CHADMN C[C@@H](Oc1ccc(F)cc1CN(C)C)C1CCCC1 ZINC001229857974 1132125732 /nfs/dbraw/zinc/12/57/32/1132125732.db2.gz CSTKQNNOXLLKTD-GFCCVEGCSA-N 0 1 265.372 3.845 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@@H]3CCCCC3(F)F)[nH]c2c1 ZINC001141479484 1132139457 /nfs/dbraw/zinc/13/94/57/1132139457.db2.gz OULMHYLZCPYWRZ-JTQLQIEISA-N 0 1 293.317 3.635 20 0 CHADMN CCN(Cc1cccs1)C[C@H]1CC1(Cl)Cl ZINC000838523363 1132140108 /nfs/dbraw/zinc/14/01/08/1132140108.db2.gz PPVILVDWTURYIP-SECBINFHSA-N 0 1 264.221 3.764 20 0 CHADMN O=c1[nH]cnc(O[C@@H]2CCc3cc(Cl)ccc32)c1Cl ZINC001230018025 1132145845 /nfs/dbraw/zinc/14/58/45/1132145845.db2.gz LTHPWNWNHJVIAA-SNVBAGLBSA-N 0 1 297.141 3.555 20 0 CHADMN CC(=O)c1cc2ccccc2cc1O[C@@H]1CN2CCC1CC2 ZINC001230065516 1132152550 /nfs/dbraw/zinc/15/25/50/1132152550.db2.gz GKBQNBYFBIBRKQ-LJQANCHMSA-N 0 1 295.382 3.515 20 0 CHADMN Cc1ccc(CN2CC[C@@H]2Cc2ccccc2)c(Cl)n1 ZINC000838868301 1132152580 /nfs/dbraw/zinc/15/25/80/1132152580.db2.gz KQZWADHRMAQRQQ-MRXNPFEDSA-N 0 1 286.806 3.860 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)N[C@@H](C(C)=O)c1ccccc1 ZINC001172320730 1132158589 /nfs/dbraw/zinc/15/85/89/1132158589.db2.gz ZYWOQRUJCQZENY-KEYYUXOJSA-N 0 1 277.408 3.500 20 0 CHADMN CC[C@@H](C)OCC[C@H](C)NCc1c(F)ccc(F)c1F ZINC001172321365 1132159687 /nfs/dbraw/zinc/15/96/87/1132159687.db2.gz JSQWZTSTMGOVDU-WDEREUQCSA-N 0 1 289.341 3.787 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@H](C)COCc1ccccc1 ZINC001230225528 1132162889 /nfs/dbraw/zinc/16/28/89/1132162889.db2.gz USFKCMULSHPLQB-CQSZACIVSA-N 0 1 296.370 3.855 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@@H](C)COCc1ccccc1 ZINC001230225516 1132163030 /nfs/dbraw/zinc/16/30/30/1132163030.db2.gz USFKCMULSHPLQB-AWEZNQCLSA-N 0 1 296.370 3.855 20 0 CHADMN C[C@@H]1CC[C@H](N(C)CC(=O)c2ccccc2)C[C@@H]1C ZINC001172380796 1132170709 /nfs/dbraw/zinc/17/07/09/1132170709.db2.gz VBOHOCVWGDVHTK-YCPHGPKFSA-N 0 1 259.393 3.626 20 0 CHADMN C[C@@H]1CC[C@H](N(C)CC(=O)c2ccccc2)C[C@H]1C ZINC001172380558 1132170819 /nfs/dbraw/zinc/17/08/19/1132170819.db2.gz VBOHOCVWGDVHTK-FMKPAKJESA-N 0 1 259.393 3.626 20 0 CHADMN Clc1ccc2c(CN3CCc4occc4C3)c[nH]c2c1 ZINC001141590337 1132194333 /nfs/dbraw/zinc/19/43/33/1132194333.db2.gz CNMVNEUYJSWVJC-UHFFFAOYSA-N 0 1 286.762 3.973 20 0 CHADMN CC(C)[C@@H]1CN(Cc2c[nH]c3cc(Cl)ccc23)CCO1 ZINC001141590901 1132194495 /nfs/dbraw/zinc/19/44/95/1132194495.db2.gz LERHGYMJNWTDEB-INIZCTEOSA-N 0 1 292.810 3.678 20 0 CHADMN Cc1ccc2c(c1)nc(=O)[nH]c2O[C@H](C)c1ccc(F)cc1 ZINC001230888058 1132223435 /nfs/dbraw/zinc/22/34/35/1132223435.db2.gz JGVZTUHAGUSGKA-LLVKDONJSA-N 0 1 298.317 3.923 20 0 CHADMN Cc1nc([C@@H](C)N[C@H](C)c2csc3ccccc23)n[nH]1 ZINC000839554379 1132224033 /nfs/dbraw/zinc/22/40/33/1132224033.db2.gz YFKJVKCOELZDOF-NXEZZACHSA-N 0 1 286.404 3.740 20 0 CHADMN Fc1ccc2nc(CN3CC(c4ccccc4)C3)ccc2c1 ZINC001141651193 1132224875 /nfs/dbraw/zinc/22/48/75/1132224875.db2.gz ZTCKDMKPXSJCMQ-UHFFFAOYSA-N 0 1 292.357 3.973 20 0 CHADMN Cl/C=C\CN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000839651389 1132229455 /nfs/dbraw/zinc/22/94/55/1132229455.db2.gz HSWBLTJUUHRDDS-KHSJVXASSA-N 0 1 277.795 3.593 20 0 CHADMN C[C@H](COc1cc2[nH]ncc2c(F)c1)Oc1ccccc1 ZINC001230932910 1132230365 /nfs/dbraw/zinc/23/03/65/1132230365.db2.gz BSMKRTPHGVSVPQ-LLVKDONJSA-N 0 1 286.306 3.548 20 0 CHADMN Fc1cc(O[C@@H]2CCOc3ccccc32)cc2[nH]ncc21 ZINC001230931886 1132230382 /nfs/dbraw/zinc/23/03/82/1132230382.db2.gz RIRGOQNIYVOCLD-MRXNPFEDSA-N 0 1 284.290 3.605 20 0 CHADMN CC[C@@H](Oc1cc2[nH]ncc2c(F)c1)C(C)(C)C ZINC001230931827 1132230484 /nfs/dbraw/zinc/23/04/84/1132230484.db2.gz QSCSBHQXXKZTKO-CYBMUJFWSA-N 0 1 250.317 3.906 20 0 CHADMN CC(C)COCC[C@H](C)N(C)Cc1cccc(F)c1F ZINC001172485851 1132230824 /nfs/dbraw/zinc/23/08/24/1132230824.db2.gz ZJPCBDLEDNBQID-ZDUSSCGKSA-N 0 1 285.378 3.848 20 0 CHADMN CC(C)OCC[C@H](C)NCc1c(Cl)cncc1Cl ZINC001172448704 1132237825 /nfs/dbraw/zinc/23/78/25/1132237825.db2.gz NXCCKAZFFRSYEY-JTQLQIEISA-N 0 1 291.222 3.682 20 0 CHADMN CC(C)OCC[C@@H](C)N(C)Cc1cccc(F)c1F ZINC001172454263 1132239289 /nfs/dbraw/zinc/23/92/89/1132239289.db2.gz JLRGLLMBHARTTF-GFCCVEGCSA-N 0 1 271.351 3.600 20 0 CHADMN CC(C)OCC[C@H](C)N1CCc2cc(F)c(F)cc2C1 ZINC001172461398 1132243222 /nfs/dbraw/zinc/24/32/22/1132243222.db2.gz TVXVLNXMNLMYNK-LBPRGKRZSA-N 0 1 283.362 3.527 20 0 CHADMN CC[C@H]1CCCN1CN1C(=O)C2(CCC2)[C@H]1c1ccccc1 ZINC000839988374 1132244806 /nfs/dbraw/zinc/24/48/06/1132244806.db2.gz NPPQMNAFZHAPNA-DLBZAZTESA-N 0 1 298.430 3.572 20 0 CHADMN CCC(CC)[C@@H](CC)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231046638 1132247773 /nfs/dbraw/zinc/24/77/73/1132247773.db2.gz AOORXNWCVJRKIX-SNVBAGLBSA-N 0 1 282.775 3.600 20 0 CHADMN CC(C)=CCC[C@@H](C)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047301 1132248093 /nfs/dbraw/zinc/24/80/93/1132248093.db2.gz OPAZHNDXZMEOLQ-SECBINFHSA-N 0 1 280.759 3.520 20 0 CHADMN Clc1cnc(CN[C@H]2CC[C@@H](c3ccccc3)C2)nc1 ZINC001172554012 1132265517 /nfs/dbraw/zinc/26/55/17/1132265517.db2.gz QYFCREWWTYTHFS-HIFRSBDPSA-N 0 1 287.794 3.556 20 0 CHADMN Cc1nc[nH]c1-c1nc(-c2ccc(C)c3ccccc23)no1 ZINC001212668894 1132266028 /nfs/dbraw/zinc/26/60/28/1132266028.db2.gz WIHOVCHOSDAHCC-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN CN(Cc1cc(F)c(Br)cc1F)CC1CC1 ZINC001141910404 1132267563 /nfs/dbraw/zinc/26/75/63/1132267563.db2.gz PXPOPQFGGLVYJU-UHFFFAOYSA-N 0 1 290.151 3.569 20 0 CHADMN c1ccc([C@@H]2CC[C@H](N3CC4(C3)CCCCO4)C2)cc1 ZINC001172563565 1132269802 /nfs/dbraw/zinc/26/98/02/1132269802.db2.gz NOOMXVYNPNTMCE-SJORKVTESA-N 0 1 271.404 3.578 20 0 CHADMN Cc1noc(C2(N[C@H]3CCC[C@@H](c4ccccc4)C3)CC2)n1 ZINC001172537294 1132274783 /nfs/dbraw/zinc/27/47/83/1132274783.db2.gz OCPAAFQNNOYEHM-CVEARBPZSA-N 0 1 297.402 3.683 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2cc3n(n2)CCC3)s1 ZINC000840717306 1132275818 /nfs/dbraw/zinc/27/58/18/1132275818.db2.gz FOVARBGGYFSJKD-NWDGAFQWSA-N 0 1 275.421 3.611 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccnc(Cl)c2)nc1C ZINC000840784955 1132286156 /nfs/dbraw/zinc/28/61/56/1132286156.db2.gz WMQSAHZJCRPYDW-LBPRGKRZSA-N 0 1 275.783 3.598 20 0 CHADMN Cc1ccc(CN2CCC(C)(F)CC2)cc1Cl ZINC001231417496 1132292712 /nfs/dbraw/zinc/29/27/12/1132292712.db2.gz JSQWIJFOSCLDBN-UHFFFAOYSA-N 0 1 255.764 3.972 20 0 CHADMN CSc1cc(C)ccc1NC(=S)NC1CCC1 ZINC000840856809 1132295849 /nfs/dbraw/zinc/29/58/49/1132295849.db2.gz LQADPKXOWBXZPI-UHFFFAOYSA-N 0 1 266.435 3.556 20 0 CHADMN FC1(F)CCN([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172719875 1132296049 /nfs/dbraw/zinc/29/60/49/1132296049.db2.gz UEPNTENPARZCIB-CYBMUJFWSA-N 0 1 271.738 3.538 20 0 CHADMN CCC[N@@H+](Cc1cc(C(=O)[O-])ccc1F)[C@H](C)CC ZINC001231455773 1132297291 /nfs/dbraw/zinc/29/72/91/1132297291.db2.gz DMRXMTDEOQGKHM-LLVKDONJSA-N 0 1 267.344 3.534 20 0 CHADMN Cc1c(F)ccc(CN2CC[C@@H](c3ccccn3)C2)c1F ZINC001231477536 1132298484 /nfs/dbraw/zinc/29/84/84/1132298484.db2.gz KBWNSPFKSVYVQR-CYBMUJFWSA-N 0 1 288.341 3.658 20 0 CHADMN FC[C@@H]1C[C@H](F)CN1C1CCC2(CCCC2)CC1 ZINC001172726294 1132299707 /nfs/dbraw/zinc/29/97/07/1132299707.db2.gz FPPAGDKGQZMKOO-JSGCOSHPSA-N 0 1 257.368 3.871 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1c[nH]c2cccnc12 ZINC001231491001 1132302693 /nfs/dbraw/zinc/30/26/93/1132302693.db2.gz ARXFCGYGOQTHMC-ZDUSSCGKSA-N 0 1 295.386 3.765 20 0 CHADMN Cc1c(C)c(C)c(CN2CC3(C2)CCCO3)c(C)c1C ZINC001231493322 1132303553 /nfs/dbraw/zinc/30/35/53/1132303553.db2.gz VNVQRSUMACWIDL-UHFFFAOYSA-N 0 1 273.420 3.594 20 0 CHADMN CCc1cccc(F)c1CNc1nccn1C1CC1 ZINC000840887235 1132304611 /nfs/dbraw/zinc/30/46/11/1132304611.db2.gz UAWXOJLKVWKLPZ-UHFFFAOYSA-N 0 1 259.328 3.532 20 0 CHADMN c1cc(CN2CC3(CCOCC3)[C@@H]2c2ccccc2)co1 ZINC000840962180 1132313445 /nfs/dbraw/zinc/31/34/45/1132313445.db2.gz GLNMMVIPHVYLBQ-KRWDZBQOSA-N 0 1 283.371 3.633 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Br)c[nH]2)C[C@H]1C ZINC001231571677 1132316267 /nfs/dbraw/zinc/31/62/67/1132316267.db2.gz JNDCNJKIPWIRKB-GHMZBOCLSA-N 0 1 285.229 3.645 20 0 CHADMN Cc1coc(CNC2CCC(Cc3ccccc3)CC2)n1 ZINC001172816526 1132316363 /nfs/dbraw/zinc/31/63/63/1132316363.db2.gz ITRVWXYVWIFHEJ-UHFFFAOYSA-N 0 1 284.403 3.874 20 0 CHADMN Cc1cnc(CN)n1C1CCC(Cc2ccccc2)CC1 ZINC001172819450 1132317763 /nfs/dbraw/zinc/31/77/63/1132317763.db2.gz IMKTTXRVPZJOAV-UHFFFAOYSA-N 0 1 283.419 3.624 20 0 CHADMN Cc1ccc(-c2ccc(CN3CCCC34COC4)cc2)o1 ZINC001231597964 1132323455 /nfs/dbraw/zinc/32/34/55/1132323455.db2.gz QOEUWWOIOYHJMJ-UHFFFAOYSA-N 0 1 283.371 3.620 20 0 CHADMN Cc1nc(CN[C@@H](C)Cc2c(F)cccc2Cl)cs1 ZINC001172837025 1132328692 /nfs/dbraw/zinc/32/86/92/1132328692.db2.gz KCQVOGRGOJBFAR-VIFPVBQESA-N 0 1 298.814 3.965 20 0 CHADMN C[C@@H](Cc1ccc(F)cc1Cl)N1CC2(C1)CCCOC2 ZINC001172864741 1132330360 /nfs/dbraw/zinc/33/03/60/1132330360.db2.gz VKOBWPSRKOUITC-LBPRGKRZSA-N 0 1 297.801 3.523 20 0 CHADMN Cc1ccc2c(c1)C[C@H](N[C@H]1CCCC1(F)F)CC2 ZINC001172844659 1132335205 /nfs/dbraw/zinc/33/52/05/1132335205.db2.gz YAKCSZIOTOAXQD-CABCVRRESA-N 0 1 265.347 3.630 20 0 CHADMN Cc1sc2ccccc2c1CN1C[C@@H](C)OC[C@H]1C ZINC001231650174 1132335894 /nfs/dbraw/zinc/33/58/94/1132335894.db2.gz XOLRJXAZUQQTHH-VXGBXAGGSA-N 0 1 275.417 3.819 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H]2c2cccs2)cn1 ZINC001231653148 1132336597 /nfs/dbraw/zinc/33/65/97/1132336597.db2.gz OBMCRFORHRCYQL-CQSZACIVSA-N 0 1 288.416 3.879 20 0 CHADMN O=C(NC[C@H]1CCC[C@H]1C1CC1)c1ccc(O)c(Cl)c1 ZINC001142215321 1132343091 /nfs/dbraw/zinc/34/30/91/1132343091.db2.gz SEWJQPSYMQYFKU-OLZOCXBDSA-N 0 1 293.794 3.602 20 0 CHADMN CC(=O)C1CCN([C@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172857598 1132343936 /nfs/dbraw/zinc/34/39/36/1132343936.db2.gz QMFQIYOBJPVFKR-LLVKDONJSA-N 0 1 297.801 3.711 20 0 CHADMN F[C@H]1C[C@@H]2C[C@H]1CN2Cc1nc(-c2ccccc2)cs1 ZINC001231684622 1132344774 /nfs/dbraw/zinc/34/47/74/1132344774.db2.gz IWDFJBXOZOHLIK-IHRRRGAJSA-N 0 1 288.391 3.742 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC001231675778 1132344784 /nfs/dbraw/zinc/34/47/84/1132344784.db2.gz OIHUMIDAONQSAO-AWEZNQCLSA-N 0 1 295.382 3.894 20 0 CHADMN Cc1ccccc1CN(C)Cc1[nH]cnc1C(C)(C)C ZINC001142226966 1132346748 /nfs/dbraw/zinc/34/67/48/1132346748.db2.gz VYQCZXFTZJYMRT-UHFFFAOYSA-N 0 1 271.408 3.648 20 0 CHADMN C[C@H](Cc1ccc(F)cc1Cl)N1CC(C)(C)C1 ZINC001172863464 1132348670 /nfs/dbraw/zinc/34/86/70/1132348670.db2.gz JAZVQLKZRTXZSY-SNVBAGLBSA-N 0 1 255.764 3.752 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1[nH]cnc1C(C)(C)C ZINC001142235215 1132351892 /nfs/dbraw/zinc/35/18/92/1132351892.db2.gz RENMTIHROPSCOA-CYBMUJFWSA-N 0 1 283.419 3.654 20 0 CHADMN CCCCc1ccc(C[N@H+]2CCc3cnccc3C2)cc1 ZINC001231779515 1132356556 /nfs/dbraw/zinc/35/65/56/1132356556.db2.gz CUKKGVOJMMFEKP-UHFFFAOYSA-N 0 1 280.415 3.983 20 0 CHADMN CCCCc1ccc(CN2CCc3cnccc3C2)cc1 ZINC001231779515 1132356562 /nfs/dbraw/zinc/35/65/62/1132356562.db2.gz CUKKGVOJMMFEKP-UHFFFAOYSA-N 0 1 280.415 3.983 20 0 CHADMN C[C@H](CSc1ccc(Cl)cc1)N1C[C@@H](C)OC[C@H]1C ZINC001172883729 1132358607 /nfs/dbraw/zinc/35/86/07/1132358607.db2.gz WHLGOWQELJTMDV-JHJVBQTASA-N 0 1 299.867 3.930 20 0 CHADMN O=C(/C=C/c1ccoc1)Nc1c(Cl)ccc(O)c1Cl ZINC001142261777 1132359639 /nfs/dbraw/zinc/35/96/39/1132359639.db2.gz NLAYFXQVTHQHAY-DAFODLJHSA-N 0 1 298.125 3.944 20 0 CHADMN Cc1n[nH]c(C)c1NC(=O)/C=C/[C@]1(C)CC[C@@H](C)C1(C)C ZINC000841381056 1132360373 /nfs/dbraw/zinc/36/03/73/1132360373.db2.gz FUZHMZDWDVGRPM-MIGAUBLUSA-N 0 1 289.423 3.984 20 0 CHADMN C[C@H](NC(=O)c1cccc2nc[nH]c21)[C@H]1CCC[C@@H](C)C1 ZINC001142302427 1132363574 /nfs/dbraw/zinc/36/35/74/1132363574.db2.gz XOCAKCXNDVBMBL-AGIUHOORSA-N 0 1 285.391 3.508 20 0 CHADMN CC(C)[C@H]1COCCN1Cc1ccc(OC(C)(C)C)cc1 ZINC001231805619 1132367091 /nfs/dbraw/zinc/36/70/91/1132367091.db2.gz PVVBVDKJHSVJOD-QGZVFWFLSA-N 0 1 291.435 3.721 20 0 CHADMN OC[C@@H]1C[C@H](F)CN(Cc2ccccc2-c2ccccc2)C1 ZINC001142331198 1132371512 /nfs/dbraw/zinc/37/15/12/1132371512.db2.gz MMZJEVZKAZPEBQ-QAPCUYQASA-N 0 1 299.389 3.506 20 0 CHADMN CCCc1ccc(CN2CC3(C2)CC(F)(F)CS3)cc1 ZINC001142367532 1132374741 /nfs/dbraw/zinc/37/47/41/1132374741.db2.gz PVWPDIHRTQIODX-UHFFFAOYSA-N 0 1 297.414 3.966 20 0 CHADMN CCCc1ccc(CN2CC3(C2)C[C@H](F)CS3)cc1 ZINC001142367404 1132375827 /nfs/dbraw/zinc/37/58/27/1132375827.db2.gz NDQPTIJJIQIRCH-HNNXBMFYSA-N 0 1 279.424 3.669 20 0 CHADMN CCCOc1ncccc1CN(C)CCc1ccc(C)cc1 ZINC001231864823 1132380410 /nfs/dbraw/zinc/38/04/10/1132380410.db2.gz XCIGCQFDFLXNEW-UHFFFAOYSA-N 0 1 298.430 3.853 20 0 CHADMN CCCOc1ncccc1CN1CCC(C(C)C)CC1 ZINC001231863816 1132381957 /nfs/dbraw/zinc/38/19/57/1132381957.db2.gz DVBPVOWXCQUUFG-UHFFFAOYSA-N 0 1 276.424 3.738 20 0 CHADMN CCCOc1ncccc1CN1CCCC2(CCC2)C1 ZINC001231866912 1132382074 /nfs/dbraw/zinc/38/20/74/1132382074.db2.gz NMNLVZIESWEPNY-UHFFFAOYSA-N 0 1 274.408 3.637 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)C1[C@H]2CCCCCC[C@H]12 ZINC001142428267 1132385388 /nfs/dbraw/zinc/38/53/88/1132385388.db2.gz INMVTIFYPZSMLQ-STQMWFEESA-N 0 1 283.375 3.718 20 0 CHADMN CSc1ncc(CN2CCC[C@H]3CCC[C@@H]32)c(Cl)n1 ZINC001142431776 1132388150 /nfs/dbraw/zinc/38/81/50/1132388150.db2.gz KIROIRWBVKYJCR-PWSUYJOCSA-N 0 1 297.855 3.616 20 0 CHADMN CN(CCOc1ccccc1)Cc1ccnc(C(F)F)c1 ZINC001231888324 1132394003 /nfs/dbraw/zinc/39/40/03/1132394003.db2.gz FMSYSBZXZXPEEE-UHFFFAOYSA-N 0 1 292.329 3.530 20 0 CHADMN CC[C@@H](C)[N@@H+](C)Cc1cnc(C(F)(F)F)cc1Cl ZINC001231899000 1132395547 /nfs/dbraw/zinc/39/55/47/1132395547.db2.gz CMALUJQSMSDXDM-MRVPVSSYSA-N 0 1 280.721 3.984 20 0 CHADMN CC[C@@H](C)N(C)Cc1cnc(C(F)(F)F)cc1Cl ZINC001231899000 1132395552 /nfs/dbraw/zinc/39/55/52/1132395552.db2.gz CMALUJQSMSDXDM-MRVPVSSYSA-N 0 1 280.721 3.984 20 0 CHADMN CCN(Cc1ccc2c[nH]nc2c1)Cc1ccccc1F ZINC001231906694 1132399830 /nfs/dbraw/zinc/39/98/30/1132399830.db2.gz DVTPKWNIFWINBR-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN Cc1cc(CN2CCC(c3cccs3)CC2)cnc1F ZINC001231927225 1132401745 /nfs/dbraw/zinc/40/17/45/1132401745.db2.gz QCPZPLNCAXJFKA-UHFFFAOYSA-N 0 1 290.407 3.970 20 0 CHADMN CC1(C)CN([C@@H]2CCc3ncsc3C2)Cc2ccccc21 ZINC001173143156 1132405266 /nfs/dbraw/zinc/40/52/66/1132405266.db2.gz ZOONJWCMBYZVOL-CQSZACIVSA-N 0 1 298.455 3.794 20 0 CHADMN CCC[C@@H](C(=O)c1ccccc1)N(C)[C@H]1CCO[C@@H](C)C1 ZINC001173174405 1132408238 /nfs/dbraw/zinc/40/82/38/1132408238.db2.gz MZTYRGZZRLGHPW-XIRDDKMYSA-N 0 1 289.419 3.537 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1cc(C)nc(C)c1)C2 ZINC001232004402 1132408693 /nfs/dbraw/zinc/40/86/93/1132408693.db2.gz OJCVNTCXCTYEHU-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1C[C@@H](C)[C@@H](F)C1 ZINC001232002431 1132409285 /nfs/dbraw/zinc/40/92/85/1132409285.db2.gz VGIQXIVUPWIQTQ-MFKMUULPSA-N 0 1 275.289 3.804 20 0 CHADMN CCOC(=O)c1ccc(CN2CCCC[C@](C)(F)C2)cc1 ZINC001142583573 1132409961 /nfs/dbraw/zinc/40/99/61/1132409961.db2.gz PEHMJNQJASMGIV-KRWDZBQOSA-N 0 1 293.382 3.577 20 0 CHADMN COc1cccc2[nH]cc(CN3CCc4sccc4C3)c21 ZINC001232034785 1132412083 /nfs/dbraw/zinc/41/20/83/1132412083.db2.gz REXXWCJIBSIODQ-UHFFFAOYSA-N 0 1 298.411 3.796 20 0 CHADMN CC[C@@H]1C[C@H]1CN[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000842152003 1132412546 /nfs/dbraw/zinc/41/25/46/1132412546.db2.gz DPEFMUYMLFTZLU-WZRBSPASSA-N 0 1 289.354 3.572 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1cc2ncccc2[nH]1 ZINC001232063013 1132416663 /nfs/dbraw/zinc/41/66/63/1132416663.db2.gz FTUVPWUENGBFEP-ZDUSSCGKSA-N 0 1 277.371 3.682 20 0 CHADMN CCC(C)(C)c1ccc(CN2CCOC3(CC3)C2)cc1 ZINC001232080996 1132421127 /nfs/dbraw/zinc/42/11/27/1132421127.db2.gz OVXCOFSFIWTTIX-UHFFFAOYSA-N 0 1 273.420 3.739 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1cc2ccncc2[nH]1 ZINC001232096161 1132422307 /nfs/dbraw/zinc/42/23/07/1132422307.db2.gz XJNZBPZCDXNRLR-CYBMUJFWSA-N 0 1 295.386 3.765 20 0 CHADMN CCCC[C@@H](CC(C)C)N1CC(F)(F)CC[C@H]1CO ZINC001173257646 1132425034 /nfs/dbraw/zinc/42/50/34/1132425034.db2.gz KOZPXICGFAIESX-KBPBESRZSA-N 0 1 277.399 3.683 20 0 CHADMN Cc1cccc(CN(C)Cc2cnc(-c3cccnc3)o2)c1 ZINC001232130937 1132425373 /nfs/dbraw/zinc/42/53/73/1132425373.db2.gz MUAWMMAWXFWBCP-UHFFFAOYSA-N 0 1 293.370 3.677 20 0 CHADMN C[C@H]1CCN1Cc1c(Br)[nH]c2ccccc21 ZINC001232140420 1132425791 /nfs/dbraw/zinc/42/57/91/1132425791.db2.gz SRPXVBXZRQYSLV-VIFPVBQESA-N 0 1 279.181 3.525 20 0 CHADMN CC[C@H]1CCCCN1Cc1ncc(C)cc1Br ZINC001232177039 1132431416 /nfs/dbraw/zinc/43/14/16/1132431416.db2.gz HQALNZCYMWGGRK-LBPRGKRZSA-N 0 1 297.240 3.917 20 0 CHADMN Cc1cnc(CN2CCCCCC2)c(Br)c1 ZINC001232172526 1132431426 /nfs/dbraw/zinc/43/14/26/1132431426.db2.gz IAJMUZFDTDLBBN-UHFFFAOYSA-N 0 1 283.213 3.529 20 0 CHADMN CC[C@H]1CC[C@@H](NC2(c3cccc(Cl)c3)COC2)C1 ZINC001173265265 1132432139 /nfs/dbraw/zinc/43/21/39/1132432139.db2.gz HVHZGBHMDDXLAI-SWLSCSKDSA-N 0 1 279.811 3.734 20 0 CHADMN Cc1scnc1CN1CCC2(CCCCC2)CC1 ZINC001232203841 1132432981 /nfs/dbraw/zinc/43/29/81/1132432981.db2.gz ICRFCTDHXKSYEJ-UHFFFAOYSA-N 0 1 264.438 3.998 20 0 CHADMN COc1cccc([C@@H]2CCC[N@@H+](Cc3ccns3)C2)c1 ZINC001232194897 1132434176 /nfs/dbraw/zinc/43/41/76/1132434176.db2.gz YNKSKRHCAMUJAQ-CQSZACIVSA-N 0 1 288.416 3.531 20 0 CHADMN COc1cccc([C@@H]2CCCN(Cc3ccns3)C2)c1 ZINC001232194897 1132434181 /nfs/dbraw/zinc/43/41/81/1132434181.db2.gz YNKSKRHCAMUJAQ-CQSZACIVSA-N 0 1 288.416 3.531 20 0 CHADMN Cc1scnc1CN1CCC[C@H](Cc2ccccc2)C1 ZINC001232203986 1132434410 /nfs/dbraw/zinc/43/44/10/1132434410.db2.gz NAEYIIVACRRENZ-MRXNPFEDSA-N 0 1 286.444 3.906 20 0 CHADMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccns1 ZINC001232192504 1132434437 /nfs/dbraw/zinc/43/44/37/1132434437.db2.gz LOPMOAZGOWUQQZ-HNNXBMFYSA-N 0 1 258.390 3.653 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1ccns1 ZINC001232192504 1132434441 /nfs/dbraw/zinc/43/44/41/1132434441.db2.gz LOPMOAZGOWUQQZ-HNNXBMFYSA-N 0 1 258.390 3.653 20 0 CHADMN CC[C@@H](F)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC001142732821 1132437188 /nfs/dbraw/zinc/43/71/88/1132437188.db2.gz MGMHQUTYHXFBRL-SNVBAGLBSA-N 0 1 277.343 3.547 20 0 CHADMN CC(C)(C)c1cc(CN2CCC[C@H](C(F)F)C2)ccn1 ZINC001232216924 1132438712 /nfs/dbraw/zinc/43/87/12/1132438712.db2.gz BJWFXJABANNLHX-ZDUSSCGKSA-N 0 1 282.378 3.856 20 0 CHADMN CCc1ccc(C[C@@H](C)N2Cc3ccncc3C2)cc1 ZINC001173242281 1132441592 /nfs/dbraw/zinc/44/15/92/1132441592.db2.gz DYYAXEASNULKRC-CQSZACIVSA-N 0 1 266.388 3.591 20 0 CHADMN CN(Cc1ccccc1)Cc1ccnc(C(F)(F)F)c1 ZINC001232235154 1132441539 /nfs/dbraw/zinc/44/15/39/1132441539.db2.gz KWOLWTIHFRSSMW-UHFFFAOYSA-N 0 1 280.293 3.732 20 0 CHADMN c1cc(CN2CCC[C@H]3C[C@H]32)n(Cc2ccccc2)c1 ZINC001232239565 1132441941 /nfs/dbraw/zinc/44/19/41/1132441941.db2.gz ZUCMYIAKNQBCNY-FUHWJXTLSA-N 0 1 266.388 3.521 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ccnc(C(F)(F)F)c1 ZINC001232239907 1132442152 /nfs/dbraw/zinc/44/21/52/1132442152.db2.gz BKUGWIRWGOFSGD-GFCCVEGCSA-N 0 1 272.314 3.865 20 0 CHADMN CCCCCC[C@H](C)Cc1nc(C2(N)CCC2)no1 ZINC000842616578 1132443920 /nfs/dbraw/zinc/44/39/20/1132443920.db2.gz CQOGERNYBJAMAQ-LBPRGKRZSA-N 0 1 265.401 3.557 20 0 CHADMN Clc1cc(CN2CC[C@@H](c3ccccn3)C2)cs1 ZINC001142769657 1132444034 /nfs/dbraw/zinc/44/40/34/1132444034.db2.gz XRKOKJHJIDKHTN-GFCCVEGCSA-N 0 1 278.808 3.786 20 0 CHADMN Clc1cccc2cc(-c3nc([C@@H]4CCCN4)no3)oc21 ZINC000842642677 1132448164 /nfs/dbraw/zinc/44/81/64/1132448164.db2.gz KBPQTDKHNAEZES-JTQLQIEISA-N 0 1 289.722 3.561 20 0 CHADMN CN(Cc1cc(Cl)cs1)C[C@@H]1Cc2ccccc2O1 ZINC001232283902 1132448384 /nfs/dbraw/zinc/44/83/84/1132448384.db2.gz XIWBBMZURQGBIR-ZDUSSCGKSA-N 0 1 293.819 3.837 20 0 CHADMN CC(C)Cn1nccc1CNC(C)(C)c1ccc(F)cc1 ZINC000842675419 1132448804 /nfs/dbraw/zinc/44/88/04/1132448804.db2.gz BBWAUARBOFFVKU-UHFFFAOYSA-N 0 1 289.398 3.703 20 0 CHADMN Cc1cc(C)cc([C@H](N[C@@H]2CO[C@H](C)C2)c2cccnc2)c1 ZINC000842677799 1132450454 /nfs/dbraw/zinc/45/04/54/1132450454.db2.gz XDWKKFFPAOKHJB-AYOQOUSVSA-N 0 1 296.414 3.555 20 0 CHADMN CCSC[C@@H](C)N1CCO[C@](C)(c2ccc(C)cc2)C1 ZINC001173312641 1132451227 /nfs/dbraw/zinc/45/12/27/1132451227.db2.gz VBBKKQSEJFEEPB-WBVHZDCISA-N 0 1 293.476 3.684 20 0 CHADMN CCCC1CCN(Cc2ccc(SC)nc2)CC1 ZINC001232328362 1132453903 /nfs/dbraw/zinc/45/39/03/1132453903.db2.gz GCLUYJIXVVUCIZ-UHFFFAOYSA-N 0 1 264.438 3.816 20 0 CHADMN CSc1ccc(CN2CC[C@H](C)C(F)(F)CC2)cn1 ZINC001232324916 1132454399 /nfs/dbraw/zinc/45/43/99/1132454399.db2.gz RSUGBPIRGBLEBV-NSHDSACASA-N 0 1 286.391 3.671 20 0 CHADMN C[C@H]1CN(Cc2cccc(-c3ccccn3)c2)CCCC1=O ZINC001142828422 1132455102 /nfs/dbraw/zinc/45/51/02/1132455102.db2.gz DEOQEJCFEPZUFJ-HNNXBMFYSA-N 0 1 294.398 3.550 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1cccc(-c2ccccn2)c1 ZINC001142849030 1132461189 /nfs/dbraw/zinc/46/11/89/1132461189.db2.gz JYBVFZGHKRUGOR-LJQANCHMSA-N 0 1 294.398 3.692 20 0 CHADMN COc1cc(CN2C[C@H](C)CC23CC3)c(OC)cc1Cl ZINC001232376490 1132461985 /nfs/dbraw/zinc/46/19/85/1132461985.db2.gz YVKHPIGMZLICNU-LLVKDONJSA-N 0 1 295.810 3.732 20 0 CHADMN CCOc1ccc(OC)cc1CN1CCC[C@@H](C(F)F)C1 ZINC001232384207 1132462932 /nfs/dbraw/zinc/46/29/32/1132462932.db2.gz MXZIOGKNDQWBPU-GFCCVEGCSA-N 0 1 299.361 3.571 20 0 CHADMN CC(=O)C1CCN(Cc2cccc(C)c2OC(C)C)CC1 ZINC001232390672 1132463777 /nfs/dbraw/zinc/46/37/77/1132463777.db2.gz DAVINUHTIDZFNJ-UHFFFAOYSA-N 0 1 289.419 3.583 20 0 CHADMN COc1ccc(OC(C)C)c(CN2CC3CCC2CC3)c1 ZINC001232391471 1132464157 /nfs/dbraw/zinc/46/41/57/1132464157.db2.gz YJPLVDNFTBYGRU-UHFFFAOYSA-N 0 1 289.419 3.857 20 0 CHADMN Cc1ccc(OC(C)C)c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001232395244 1132465316 /nfs/dbraw/zinc/46/53/16/1132465316.db2.gz JSFFWXRZGIDPTN-BPUTZDHNSA-N 0 1 277.383 3.572 20 0 CHADMN CC(=O)[C@H]1CCCN(Cc2cccc(C)c2OC(C)C)C1 ZINC001232395890 1132466545 /nfs/dbraw/zinc/46/65/45/1132466545.db2.gz YMLQSACTSMQNBQ-INIZCTEOSA-N 0 1 289.419 3.583 20 0 CHADMN C[N@@H+](Cc1cn2cc(F)ccc2n1)[C@H]1CCc2ccccc21 ZINC001232414442 1132467114 /nfs/dbraw/zinc/46/71/14/1132467114.db2.gz AOJVMSQPVPYHDP-KRWDZBQOSA-N 0 1 295.361 3.593 20 0 CHADMN CN(Cc1cn2cc(F)ccc2n1)[C@H]1CCc2ccccc21 ZINC001232414442 1132467118 /nfs/dbraw/zinc/46/71/18/1132467118.db2.gz AOJVMSQPVPYHDP-KRWDZBQOSA-N 0 1 295.361 3.593 20 0 CHADMN Cc1c(F)cc(CN2CCC(C)(F)CC2)cc1F ZINC001232421184 1132467546 /nfs/dbraw/zinc/46/75/46/1132467546.db2.gz ZOCLVOHQLZQLRP-UHFFFAOYSA-N 0 1 257.299 3.597 20 0 CHADMN Fc1ccc2nc(C[N@H+]3CCC[C@H]4CCCC[C@H]43)cn2c1 ZINC001232417496 1132467802 /nfs/dbraw/zinc/46/78/02/1132467802.db2.gz SMFJFQRVSXFJMB-CZUORRHYSA-N 0 1 287.382 3.628 20 0 CHADMN Fc1ccc2nc(CN3CCC[C@H]4CCCC[C@H]43)cn2c1 ZINC001232417496 1132467806 /nfs/dbraw/zinc/46/78/06/1132467806.db2.gz SMFJFQRVSXFJMB-CZUORRHYSA-N 0 1 287.382 3.628 20 0 CHADMN C[C@@H](NCc1ccc(Cl)nc1)c1ccc(F)cc1 ZINC000083480325 1132472422 /nfs/dbraw/zinc/47/24/22/1132472422.db2.gz FWFOXIGZXIAVOF-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN Cc1ncc(CN2CCC[C@@H]2c2ccc(Cl)s2)[nH]1 ZINC001232464163 1132472885 /nfs/dbraw/zinc/47/28/85/1132472885.db2.gz UKBZZVYPCNOUDF-LLVKDONJSA-N 0 1 281.812 3.770 20 0 CHADMN Cc1ncc(CN(C)Cc2cc(Cl)cc(Cl)c2)[nH]1 ZINC001232465644 1132473706 /nfs/dbraw/zinc/47/37/06/1132473706.db2.gz ANOGDMQXPRSECK-UHFFFAOYSA-N 0 1 284.190 3.657 20 0 CHADMN Cn1ncc2c1CCN([C@@H]1CCCC3(CCCCC3)C1)C2 ZINC001173348632 1132474456 /nfs/dbraw/zinc/47/44/56/1132474456.db2.gz JWUMGVGBNPIKPF-MRXNPFEDSA-N 0 1 287.451 3.671 20 0 CHADMN Cn1cnc2c1CCN([C@H]1CCCC3(CCCCC3)C1)C2 ZINC001173351276 1132476025 /nfs/dbraw/zinc/47/60/25/1132476025.db2.gz ZAFULICJTJQAGH-HNNXBMFYSA-N 0 1 287.451 3.671 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@H](CCO)c1ccccc1F ZINC000842925571 1132476426 /nfs/dbraw/zinc/47/64/26/1132476426.db2.gz YMYGMZBYRXNTCM-RBUKOAKNSA-N 0 1 299.389 3.835 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2N[C@H](CCO)c1ccccc1F ZINC000842925572 1132476484 /nfs/dbraw/zinc/47/64/84/1132476484.db2.gz YMYGMZBYRXNTCM-RTBURBONSA-N 0 1 299.389 3.835 20 0 CHADMN Fc1ccnc(CN(Cc2ccccn2)C2CCCCC2)c1 ZINC001232495316 1132478886 /nfs/dbraw/zinc/47/88/86/1132478886.db2.gz WMYAMJJDOYHWDJ-UHFFFAOYSA-N 0 1 299.393 3.951 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1cc(F)ccc1N ZINC001232512300 1132482347 /nfs/dbraw/zinc/48/23/47/1132482347.db2.gz NJJSJPAVLLPPQX-GFCCVEGCSA-N 0 1 288.366 3.610 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1cc2ccoc2cn1 ZINC001232550509 1132485318 /nfs/dbraw/zinc/48/53/18/1132485318.db2.gz XGGTUJZKZUNHCF-ZDUSSCGKSA-N 0 1 278.355 3.947 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1cc2ccoc2cn1 ZINC001232553714 1132485987 /nfs/dbraw/zinc/48/59/87/1132485987.db2.gz COKKXHDGLRRYLG-VMPITWQZSA-N 0 1 278.355 3.973 20 0 CHADMN COC(=O)c1ccc(CN2CCCCC23CC3)c(Cl)c1 ZINC001232582009 1132490439 /nfs/dbraw/zinc/49/04/39/1132490439.db2.gz YCSFVLJTMCWOOR-UHFFFAOYSA-N 0 1 293.794 3.645 20 0 CHADMN CCOC(=O)c1ccc(CN(CC)C(C)C)c(Cl)c1 ZINC001232592286 1132492257 /nfs/dbraw/zinc/49/22/57/1132492257.db2.gz NYTRWZQMCQEAHM-UHFFFAOYSA-N 0 1 283.799 3.747 20 0 CHADMN Cn1nc(-c2ccccc2)cc1CN1CCC[C@H]2CCC[C@H]21 ZINC001143013159 1132492403 /nfs/dbraw/zinc/49/24/03/1132492403.db2.gz VRNFNURESJVWTE-VQIMIIECSA-N 0 1 295.430 3.852 20 0 CHADMN F[C@@H]1CN(Cc2ccc3ccsc3c2)C[C@@H]2C[C@@H]21 ZINC001232611004 1132492730 /nfs/dbraw/zinc/49/27/30/1132492730.db2.gz HTEOQXXTUCOLAX-MELADBBJSA-N 0 1 261.365 3.691 20 0 CHADMN CCCC(N)(CCC)c1nc(-c2ccc(C)cc2)no1 ZINC001249348244 1132494449 /nfs/dbraw/zinc/49/44/49/1132494449.db2.gz HEVJIDKFPXDDEJ-UHFFFAOYSA-N 0 1 273.380 3.799 20 0 CHADMN C[C@]1(CF)CC[N@H+](Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232623978 1132496600 /nfs/dbraw/zinc/49/66/00/1132496600.db2.gz AFSXSWIDVYELOK-CYBMUJFWSA-N 0 1 292.181 3.881 20 0 CHADMN C[C@]1(CF)CC[N@@H+](Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232623978 1132496603 /nfs/dbraw/zinc/49/66/03/1132496603.db2.gz AFSXSWIDVYELOK-CYBMUJFWSA-N 0 1 292.181 3.881 20 0 CHADMN [O-]c1c(Cl)ccc(C[NH+]2CC3CC(C3)C2)c1Cl ZINC001232629156 1132498212 /nfs/dbraw/zinc/49/82/12/1132498212.db2.gz MSHOEIYBMRHFDP-UHFFFAOYSA-N 0 1 272.175 3.541 20 0 CHADMN CC(C)[C@H](N)c1noc(CCCC2CCCCC2)n1 ZINC000843146346 1132498718 /nfs/dbraw/zinc/49/87/18/1132498718.db2.gz HEOKOXXVDFBSBH-AWEZNQCLSA-N 0 1 265.401 3.628 20 0 CHADMN CC(C)[C@@H](N)c1noc(CCCC2CCCCC2)n1 ZINC000843146347 1132499098 /nfs/dbraw/zinc/49/90/98/1132499098.db2.gz HEOKOXXVDFBSBH-CQSZACIVSA-N 0 1 265.401 3.628 20 0 CHADMN CCCN[C@@H](C)c1nc(Cc2c[nH]c3cc(C)ccc23)no1 ZINC000843183937 1132499652 /nfs/dbraw/zinc/49/96/52/1132499652.db2.gz UTQCLTMQPHRQFX-LBPRGKRZSA-N 0 1 298.390 3.511 20 0 CHADMN CCc1ccccc1-c1noc([C@H](CC(C)(C)C)NC)n1 ZINC000843177222 1132500649 /nfs/dbraw/zinc/50/06/49/1132500649.db2.gz FATDSKNPUFCNOF-AWEZNQCLSA-N 0 1 287.407 3.996 20 0 CHADMN CCCN[C@H](C)c1nc(-c2cc(Cl)ccc2C)no1 ZINC000843186465 1132502749 /nfs/dbraw/zinc/50/27/49/1132502749.db2.gz WJTBKRDDXWMJOI-SNVBAGLBSA-N 0 1 279.771 3.759 20 0 CHADMN CCCN[C@H](C)c1nc(C(C)(C)C2CCCCC2)no1 ZINC000843221847 1132505001 /nfs/dbraw/zinc/50/50/01/1132505001.db2.gz KKVHXHRQPKKWDA-GFCCVEGCSA-N 0 1 279.428 3.988 20 0 CHADMN C[C@H]1CCN(Cc2occc2Br)[C@@H](C)C1 ZINC001143130920 1132505484 /nfs/dbraw/zinc/50/54/84/1132505484.db2.gz NEXDVDDDGHRQLU-UWVGGRQHSA-N 0 1 272.186 3.663 20 0 CHADMN CNc1ccccc1CN(C)[C@H](C)c1ccccc1OC ZINC001232673047 1132505776 /nfs/dbraw/zinc/50/57/76/1132505776.db2.gz QJNWPWXLAKVWGM-CQSZACIVSA-N 0 1 284.403 3.930 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(-c2cccc(C)c2F)no1 ZINC000843227465 1132506883 /nfs/dbraw/zinc/50/68/83/1132506883.db2.gz UKURONPBSQZLAM-GFCCVEGCSA-N 0 1 291.370 3.881 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1cc(C)cc(OC)c1)C2 ZINC001143149514 1132507571 /nfs/dbraw/zinc/50/75/71/1132507571.db2.gz DZLNBHAWECVVOP-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN C[C@H]1CCCCCN1Cc1ccc(Br)[nH]1 ZINC001232689568 1132508213 /nfs/dbraw/zinc/50/82/13/1132508213.db2.gz OJNXHRSZVFORID-JTQLQIEISA-N 0 1 271.202 3.542 20 0 CHADMN COc1cc(C)cc(CN(C)Cc2ccccc2OC)c1 ZINC001143158049 1132509729 /nfs/dbraw/zinc/50/97/29/1132509729.db2.gz TYYBBHSHVMFRQR-UHFFFAOYSA-N 0 1 285.387 3.644 20 0 CHADMN COc1cc(C)cc(CN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001143158159 1132510225 /nfs/dbraw/zinc/51/02/25/1132510225.db2.gz VVWYKENQJMETEY-CYBMUJFWSA-N 0 1 287.325 3.778 20 0 CHADMN C[C@@H]1CC(=O)CCN1C1CCC2(CCc3ccccc32)CC1 ZINC001173688398 1132510394 /nfs/dbraw/zinc/51/03/94/1132510394.db2.gz SFCYEJCDSKUNBK-XRTORIHISA-N 0 1 297.442 3.867 20 0 CHADMN Cc1ncccc1CN(C)Cc1ccc2ncsc2c1 ZINC001232744375 1132514619 /nfs/dbraw/zinc/51/46/19/1132514619.db2.gz QJWNXSGRJFGQJI-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN Cc1c(CN2CC[C@H](C)C(F)(F)CC2)ccnc1Cl ZINC001232750900 1132516811 /nfs/dbraw/zinc/51/68/11/1132516811.db2.gz GQKWJTMXJHAOIV-JTQLQIEISA-N 0 1 288.769 3.911 20 0 CHADMN Cc1cc(CN2CCC(C)(C)CC2)c(F)cc1F ZINC001232783103 1132517933 /nfs/dbraw/zinc/51/79/33/1132517933.db2.gz RGKJPOMFHATGGJ-UHFFFAOYSA-N 0 1 253.336 3.895 20 0 CHADMN c1c2cccnc2[nH]c1CN1CC[C@H]1c1ccccc1 ZINC001143222740 1132521506 /nfs/dbraw/zinc/52/15/06/1132521506.db2.gz BHJMGKVBMVLGIF-INIZCTEOSA-N 0 1 263.344 3.510 20 0 CHADMN CCCn1cnc(CN2CCC[C@@H]2c2ccc(C)cc2)c1 ZINC001232798385 1132523262 /nfs/dbraw/zinc/52/32/62/1132523262.db2.gz DPZNDBDZMCKOIH-GOSISDBHSA-N 0 1 283.419 3.939 20 0 CHADMN COc1cc(O)cc(CN2CCc3ccccc3[C@@H]2C)c1 ZINC001232800325 1132523403 /nfs/dbraw/zinc/52/34/03/1132523403.db2.gz CPUAUOIZLFMKDR-ZDUSSCGKSA-N 0 1 283.371 3.520 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H](C)[C@H]2C)c(F)c1F ZINC001143276824 1132528280 /nfs/dbraw/zinc/52/82/80/1132528280.db2.gz VRNRXJDZGAMZPW-VXGBXAGGSA-N 0 1 283.362 3.984 20 0 CHADMN C[C@H]1CCCCN(Cc2cc(Br)co2)C1 ZINC001232850171 1132530974 /nfs/dbraw/zinc/53/09/74/1132530974.db2.gz KUYMCBMQFKMNJQ-JTQLQIEISA-N 0 1 272.186 3.664 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1cc(Br)co1 ZINC001232854946 1132531336 /nfs/dbraw/zinc/53/13/36/1132531336.db2.gz SABPSBLVSLHPDD-VHSXEESVSA-N 0 1 272.186 3.663 20 0 CHADMN Oc1ccc2[nH]cc(C[N@H+]3CCc4ccc(F)cc4C3)c2c1 ZINC001232872427 1132532842 /nfs/dbraw/zinc/53/28/42/1132532842.db2.gz YRBKKXWJKNBBGK-UHFFFAOYSA-N 0 1 296.345 3.571 20 0 CHADMN Oc1ccc2[nH]cc(CN3CCc4ccc(F)cc4C3)c2c1 ZINC001232872427 1132532846 /nfs/dbraw/zinc/53/28/46/1132532846.db2.gz YRBKKXWJKNBBGK-UHFFFAOYSA-N 0 1 296.345 3.571 20 0 CHADMN COc1c(F)ccc(CN2CCC(C)(C)CC2)c1F ZINC001143318272 1132534008 /nfs/dbraw/zinc/53/40/08/1132534008.db2.gz JZHASZDKTWXJLJ-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cc(C)cc(O)c1 ZINC001232885990 1132538490 /nfs/dbraw/zinc/53/84/90/1132538490.db2.gz PYIQTKKVHLBQRT-UHFFFAOYSA-N 0 1 273.351 3.862 20 0 CHADMN CN(Cc1ccc(OCc2ccccc2)cc1F)C1CC1 ZINC001232919604 1132543024 /nfs/dbraw/zinc/54/30/24/1132543024.db2.gz YKNUIGRXLOFZNB-UHFFFAOYSA-N 0 1 285.362 3.999 20 0 CHADMN Cn1cncc1Nc1ccc(Oc2ccccc2)cc1 ZINC001173810586 1132543850 /nfs/dbraw/zinc/54/38/50/1132543850.db2.gz BTPIBBWQLWLADR-UHFFFAOYSA-N 0 1 265.316 3.956 20 0 CHADMN CCCCCC(C)(C)CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC001149594377 1132545441 /nfs/dbraw/zinc/54/54/41/1132545441.db2.gz NGSNEDOHQWVCJR-AWEZNQCLSA-N 0 1 282.472 3.582 20 0 CHADMN CCCCCC(C)(C)CNC(=O)[C@@H]1CCN1C(C)(C)C ZINC001149594377 1132545447 /nfs/dbraw/zinc/54/54/47/1132545447.db2.gz NGSNEDOHQWVCJR-AWEZNQCLSA-N 0 1 282.472 3.582 20 0 CHADMN COc1ncc(CN2CCCC[C@@H](F)C2)c2ccccc21 ZINC001232947514 1132547194 /nfs/dbraw/zinc/54/71/94/1132547194.db2.gz PARBBKULRLWCLV-CQSZACIVSA-N 0 1 288.366 3.567 20 0 CHADMN c1cnc2c(c1)CCN(Cc1ccc(C3CC3)cc1)C2 ZINC001232985280 1132554745 /nfs/dbraw/zinc/55/47/45/1132554745.db2.gz AZYBAPNNUKIVQF-UHFFFAOYSA-N 0 1 264.372 3.517 20 0 CHADMN Oc1cccc2c1CCN(Cc1ccc(C3CC3)cc1)C2 ZINC001232982226 1132555657 /nfs/dbraw/zinc/55/56/57/1132555657.db2.gz COVCCGCTUZPUTK-UHFFFAOYSA-N 0 1 279.383 3.828 20 0 CHADMN CCN(Cc1cccs1)Cc1cc(F)cnc1C ZINC001232990977 1132557339 /nfs/dbraw/zinc/55/73/39/1132557339.db2.gz SOAVNLZDXFUAHQ-UHFFFAOYSA-N 0 1 264.369 3.613 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1cc(O)cc(Br)c1 ZINC001232997858 1132560787 /nfs/dbraw/zinc/56/07/87/1132560787.db2.gz YZCQYQCYGHGLCX-QWRGUYRKSA-N 0 1 298.224 3.918 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCCCCCC1 ZINC001233020476 1132562992 /nfs/dbraw/zinc/56/29/92/1132562992.db2.gz JQCNWVQNHYKCGQ-UHFFFAOYSA-N 0 1 281.421 3.691 20 0 CHADMN Cc1cc(C)c(CN2Cc3ccccc3C(C)(C)C2)cn1 ZINC001233011908 1132563067 /nfs/dbraw/zinc/56/30/67/1132563067.db2.gz JVBNYWXIZAVMSG-UHFFFAOYSA-N 0 1 280.415 3.992 20 0 CHADMN Cc1cc(C)c(CN2CCC(Oc3ccccc3)CC2)cn1 ZINC001233008576 1132563275 /nfs/dbraw/zinc/56/32/75/1132563275.db2.gz SSSVSDCFBMSQJM-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN Oc1cccc(CN2CCC[C@@H]2c2cccs2)c1F ZINC001233052399 1132567913 /nfs/dbraw/zinc/56/79/13/1132567913.db2.gz LXMDAHFBFFGHQQ-GFCCVEGCSA-N 0 1 277.364 3.930 20 0 CHADMN O=C(Nc1ccccc1C(F)F)c1cc2cccnc2[nH]1 ZINC001151547192 1132571803 /nfs/dbraw/zinc/57/18/03/1132571803.db2.gz LZSJGQYULBATTB-UHFFFAOYSA-N 0 1 287.269 3.753 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1cnc(C)c(C)c1)CC2 ZINC001233157065 1132574752 /nfs/dbraw/zinc/57/47/52/1132574752.db2.gz ZLUZXSYRLNCMRB-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN Cc1cccc2nc(C(=O)Nc3cccc(C(C)C)n3)[nH]c21 ZINC001151983105 1132577379 /nfs/dbraw/zinc/57/73/79/1132577379.db2.gz VNUGCTYFAHOWJY-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN Cc1cccc2nc(C(=O)Nc3cc(F)ccc3C)[nH]c21 ZINC001151982775 1132578007 /nfs/dbraw/zinc/57/80/07/1132578007.db2.gz KVIJKMOQOSXXRZ-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN CC(C)(C)c1cccc(NC(=O)c2ccc3cncn3c2)c1 ZINC001152203709 1132578767 /nfs/dbraw/zinc/57/87/67/1132578767.db2.gz YVOCSPMFGYAPQR-UHFFFAOYSA-N 0 1 293.370 3.884 20 0 CHADMN CC1CC(N(C)Cc2ccc(Cl)c(F)c2F)C1 ZINC001233206681 1132580930 /nfs/dbraw/zinc/58/09/30/1132580930.db2.gz CAQJJLMAIMWDNP-UHFFFAOYSA-N 0 1 259.727 3.849 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc1F ZINC000132386667 1132582030 /nfs/dbraw/zinc/58/20/30/1132582030.db2.gz TWTVXLPMIYDCHG-DOMZBBRYSA-N 0 1 281.346 3.825 20 0 CHADMN Cc1cc(C)cc(Nc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001173830916 1132586623 /nfs/dbraw/zinc/58/66/23/1132586623.db2.gz IQEIAKGEIQZGCZ-UHFFFAOYSA-N 0 1 295.430 3.799 20 0 CHADMN [S-]c1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)cc1 ZINC001233261243 1132589937 /nfs/dbraw/zinc/58/99/37/1132589937.db2.gz HYWCZGRTSBJNCV-MRXNPFEDSA-N 0 1 284.428 3.577 20 0 CHADMN [S-]c1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC001233258675 1132591434 /nfs/dbraw/zinc/59/14/34/1132591434.db2.gz ONKZDNUWAFSXAE-MRXNPFEDSA-N 0 1 269.413 3.965 20 0 CHADMN C[N@@H+](Cc1ccc([S-])cc1)Cc1ccc(F)cc1F ZINC001233262112 1132592919 /nfs/dbraw/zinc/59/29/19/1132592919.db2.gz RCKZHPICHYNRJL-UHFFFAOYSA-N 0 1 279.355 3.886 20 0 CHADMN COCOc1cccc(CN2CCc3cc(C)ccc3C2)c1 ZINC001233283414 1132594210 /nfs/dbraw/zinc/59/42/10/1132594210.db2.gz GGMIFRWAKJHHGD-UHFFFAOYSA-N 0 1 297.398 3.536 20 0 CHADMN Cc1cc(CN(C)CCc2ccccc2Cl)sn1 ZINC001233312409 1132597798 /nfs/dbraw/zinc/59/77/98/1132597798.db2.gz QCGUXKFHBSODKI-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN CC(=O)c1ccc(Nc2c(C)nc3ccc(F)cn32)cc1 ZINC001173895763 1132599353 /nfs/dbraw/zinc/59/93/53/1132599353.db2.gz CXAUZONHRSYMBO-UHFFFAOYSA-N 0 1 283.306 3.728 20 0 CHADMN Clc1ccc(CN2CCC(Cc3ccncc3)CC2)o1 ZINC001233317007 1132599703 /nfs/dbraw/zinc/59/97/03/1132599703.db2.gz PUHNUMJDCARFJC-UHFFFAOYSA-N 0 1 290.794 3.783 20 0 CHADMN COc1cccc([C@H]2CCN(Cc3ccc(Cl)o3)C2)c1 ZINC001233317521 1132600024 /nfs/dbraw/zinc/60/00/24/1132600024.db2.gz QPXKQKUJKJQEHP-ZDUSSCGKSA-N 0 1 291.778 3.931 20 0 CHADMN Cc1cnsc1CN1CCC[C@H]1c1ccc(F)cc1 ZINC001233318271 1132600206 /nfs/dbraw/zinc/60/02/06/1132600206.db2.gz XLRDXDXZFKOTAX-AWEZNQCLSA-N 0 1 276.380 3.928 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(F)c(OC)cc1F ZINC001233343968 1132606398 /nfs/dbraw/zinc/60/63/98/1132606398.db2.gz IGSNEWBTNCKJFQ-GFCCVEGCSA-N 0 1 269.335 3.738 20 0 CHADMN CSc1cccc(Cl)c1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001233352798 1132609910 /nfs/dbraw/zinc/60/99/10/1132609910.db2.gz UFLBNKYCEFJJAM-OAHLLOKOSA-N 0 1 297.851 3.817 20 0 CHADMN C[N@@H+](Cc1cnc2cccc(Cl)n12)Cc1ccccc1 ZINC001233356040 1132609937 /nfs/dbraw/zinc/60/99/37/1132609937.db2.gz XOCKFTQGILJHSK-UHFFFAOYSA-N 0 1 285.778 3.620 20 0 CHADMN CN(Cc1cnc2cccc(Cl)n12)Cc1ccccc1 ZINC001233356040 1132609940 /nfs/dbraw/zinc/60/99/40/1132609940.db2.gz XOCKFTQGILJHSK-UHFFFAOYSA-N 0 1 285.778 3.620 20 0 CHADMN COc1ccc(CN2C[C@H](C)C[C@@H](C)C2)c(Cl)c1O ZINC001233400961 1132616547 /nfs/dbraw/zinc/61/65/47/1132616547.db2.gz GNWHGMPOOOLOMU-GHMZBOCLSA-N 0 1 283.799 3.532 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1c[nH]c(Br)c1 ZINC001233434554 1132620138 /nfs/dbraw/zinc/62/01/38/1132620138.db2.gz TVRMBCNNOHFGNP-AOOOYVTPSA-N 0 1 271.202 3.540 20 0 CHADMN Brc1cc(CN2CCC3(C2)CCCCC3)c[nH]1 ZINC001233438892 1132622268 /nfs/dbraw/zinc/62/22/68/1132622268.db2.gz JOQIROACGHJSIG-UHFFFAOYSA-N 0 1 297.240 3.933 20 0 CHADMN CC(C)(C)OC(=O)n1ccc(CN2CC3CCC2CC3)c1 ZINC001233432429 1132623219 /nfs/dbraw/zinc/62/32/19/1132623219.db2.gz LCSQQNFXGJORGX-UHFFFAOYSA-N 0 1 290.407 3.646 20 0 CHADMN Clc1ccc(Br)c(Nc2ccncc2)c1 ZINC001173882274 1132623390 /nfs/dbraw/zinc/62/33/90/1132623390.db2.gz DETKDZOFKCNCCT-UHFFFAOYSA-N 0 1 283.556 3.663 20 0 CHADMN COc1cc(Nc2ccncc2)c(Cl)cc1Cl ZINC001173882720 1132623688 /nfs/dbraw/zinc/62/36/88/1132623688.db2.gz PNKWPTABNRMPSK-UHFFFAOYSA-N 0 1 269.131 3.563 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1Nc1ccncc1 ZINC001173882397 1132623768 /nfs/dbraw/zinc/62/37/68/1132623768.db2.gz IAVQJSFVYARBTO-UHFFFAOYSA-N 0 1 252.239 3.574 20 0 CHADMN FC(F)(F)c1ccc2cc(Nc3ccncc3)ccc2n1 ZINC001173883161 1132624220 /nfs/dbraw/zinc/62/42/20/1132624220.db2.gz JIPDJQLBZMJCRV-UHFFFAOYSA-N 0 1 289.260 3.814 20 0 CHADMN Cc1ccc(-c2ccccc2Nc2ccncc2)o1 ZINC001173884819 1132625149 /nfs/dbraw/zinc/62/51/49/1132625149.db2.gz STVMHOMZQLBJTR-UHFFFAOYSA-N 0 1 250.301 3.816 20 0 CHADMN Cc1cnc(NCc2ccc3c(ccn3C)c2)c(C)c1 ZINC001154803666 1132625765 /nfs/dbraw/zinc/62/57/65/1132625765.db2.gz ACVMRRPJNVFGOR-UHFFFAOYSA-N 0 1 265.360 3.802 20 0 CHADMN Clc1c(Br)cccc1Nc1ccncc1 ZINC001173884096 1132625926 /nfs/dbraw/zinc/62/59/26/1132625926.db2.gz HBYRGEXKURFBPP-UHFFFAOYSA-N 0 1 283.556 3.663 20 0 CHADMN FC(F)(F)c1ccncc1CNc1ccc2c(n1)CCC2 ZINC001154900823 1132631452 /nfs/dbraw/zinc/63/14/52/1132631452.db2.gz ZBSBWNWEUSYYAM-UHFFFAOYSA-N 0 1 293.292 3.596 20 0 CHADMN CC(C)[C@@H](Oc1n[nH]c(=O)cc1Cl)c1ccccc1 ZINC001233587408 1132641758 /nfs/dbraw/zinc/64/17/58/1132641758.db2.gz QXLCKHARQNTZOE-CYBMUJFWSA-N 0 1 278.739 3.612 20 0 CHADMN CCCCC[C@@H](CC)Oc1n[nH]c(=O)cc1Cl ZINC001233587286 1132642306 /nfs/dbraw/zinc/64/23/06/1132642306.db2.gz PFCNDFKTGRAULP-SECBINFHSA-N 0 1 258.749 3.573 20 0 CHADMN CCCC[C@@H](CCC)Oc1n[nH]c(=O)cc1Cl ZINC001233589053 1132644071 /nfs/dbraw/zinc/64/40/71/1132644071.db2.gz IFRJPAITPWPEFR-SECBINFHSA-N 0 1 258.749 3.573 20 0 CHADMN COc1cc(Nc2ccccc2CN(C)C)ccc1C(C)=O ZINC001173931709 1132644947 /nfs/dbraw/zinc/64/49/47/1132644947.db2.gz JXMGEKWHRGLCAY-UHFFFAOYSA-N 0 1 298.386 3.703 20 0 CHADMN COc1cc(C(C)=O)ccc1Nc1ccccc1CN(C)C ZINC001173932361 1132646528 /nfs/dbraw/zinc/64/65/28/1132646528.db2.gz TTXPCRGARQYCHE-UHFFFAOYSA-N 0 1 298.386 3.703 20 0 CHADMN CCCN(CCC)c1nccc2cc(OC)c(OC)cc21 ZINC001155182041 1132646589 /nfs/dbraw/zinc/64/65/89/1132646589.db2.gz DRNSREKFLPIROQ-UHFFFAOYSA-N 0 1 288.391 3.878 20 0 CHADMN CCOC(=O)c1cnc(Cl)c(C)c1NC(=N)C(C)(C)C ZINC001155180051 1132646769 /nfs/dbraw/zinc/64/67/69/1132646769.db2.gz IXJHTNXABCYPAG-UHFFFAOYSA-N 0 1 297.786 3.655 20 0 CHADMN Cc1cnc(Br)c(N=C2CCCC2)c1 ZINC001173996600 1132668530 /nfs/dbraw/zinc/66/85/30/1132668530.db2.gz HLEVLKHRTOTOOF-UHFFFAOYSA-N 0 1 253.143 3.632 20 0 CHADMN COc1ccnc(N[C@@H](c2ccccc2)c2ccncc2)c1 ZINC001156090314 1132680982 /nfs/dbraw/zinc/68/09/82/1132680982.db2.gz JDHMYASGFQDKAC-SFHVURJKSA-N 0 1 291.354 3.687 20 0 CHADMN Cc1cnc(NCCCOc2ccc(Cl)cc2)c(N)c1 ZINC001156197324 1132687520 /nfs/dbraw/zinc/68/75/20/1132687520.db2.gz UXMAGOTXKINGHQ-UHFFFAOYSA-N 0 1 291.782 3.507 20 0 CHADMN Cc1ccc(Nc2cnc3cccc(C)n23)cc1F ZINC001174019866 1132693493 /nfs/dbraw/zinc/69/34/93/1132693493.db2.gz QNEJBTIMJSCSHN-UHFFFAOYSA-N 0 1 255.296 3.834 20 0 CHADMN [S-]c1ccc(Nc2cc[nH+]c3ccccc23)cc1 ZINC001174040120 1132705423 /nfs/dbraw/zinc/70/54/23/1132705423.db2.gz SOVLRJBKPNSGCY-UHFFFAOYSA-N 0 1 252.342 3.689 20 0 CHADMN Nc1cccc2c1ccn2-c1ccnc2ccccc21 ZINC001174040146 1132705778 /nfs/dbraw/zinc/70/57/78/1132705778.db2.gz UMWLKMUDNPHTQY-UHFFFAOYSA-N 0 1 259.312 3.761 20 0 CHADMN Fc1cc(Nc2ccc3nccn3c2)cc(C(F)(F)F)n1 ZINC001213006121 1132719471 /nfs/dbraw/zinc/71/94/71/1132719471.db2.gz PFPNABQVTVUZKS-UHFFFAOYSA-N 0 1 296.227 3.631 20 0 CHADMN CC[C@H](C)Nc1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001157230059 1132725447 /nfs/dbraw/zinc/72/54/47/1132725447.db2.gz IOTFBLSAMOILMH-HNNXBMFYSA-N 0 1 295.430 3.850 20 0 CHADMN Cc1cc(C)nc(N2CCc3c([nH]nc3C(F)(F)F)C2)c1 ZINC001157342303 1132727452 /nfs/dbraw/zinc/72/74/52/1132727452.db2.gz NNZCSPQTFKPRQI-ZDUSSCGKSA-N 0 1 296.296 3.559 20 0 CHADMN Cc1cccc2cc(Cl)nc(NC3CN(C(C)C)C3)c12 ZINC001157529480 1132734405 /nfs/dbraw/zinc/73/44/05/1132734405.db2.gz FZWMAJAEFUOXKL-UHFFFAOYSA-N 0 1 289.810 3.701 20 0 CHADMN CC(C)Oc1ccnc(N[C@H](C)CCCC(C)(C)O)c1 ZINC001157888480 1132753612 /nfs/dbraw/zinc/75/36/12/1132753612.db2.gz HNAIFOBIVPQWLL-CYBMUJFWSA-N 0 1 280.412 3.610 20 0 CHADMN CC(C)Oc1ccnc(NCc2cc(C(C)C)no2)c1 ZINC001157993243 1132760103 /nfs/dbraw/zinc/76/01/03/1132760103.db2.gz QYYRCPZTLDPKRQ-UHFFFAOYSA-N 0 1 275.352 3.592 20 0 CHADMN CC(=O)c1ccc(C)cc1Nc1ccc2nccn2c1 ZINC001174279903 1132770001 /nfs/dbraw/zinc/77/00/01/1132770001.db2.gz MWURIQDDOOYAHI-UHFFFAOYSA-N 0 1 265.316 3.589 20 0 CHADMN CCOc1ccc(F)cc1Nc1ccc2nccn2c1 ZINC001174279347 1132770244 /nfs/dbraw/zinc/77/02/44/1132770244.db2.gz USFJGNVGQXYDNX-UHFFFAOYSA-N 0 1 271.295 3.616 20 0 CHADMN Cc1ccnc(CCNc2nccc3cccc(C)c32)c1 ZINC001158436428 1132776468 /nfs/dbraw/zinc/77/64/68/1132776468.db2.gz GKQRKEUICRLXGN-UHFFFAOYSA-N 0 1 277.371 3.901 20 0 CHADMN Cc1ccnc(NCCc2ccc(OC(F)(F)F)cc2)c1 ZINC001158459298 1132777091 /nfs/dbraw/zinc/77/70/91/1132777091.db2.gz SGUYXXPWTQLPSS-UHFFFAOYSA-N 0 1 296.292 3.943 20 0 CHADMN Fc1c(Cl)cccc1Nc1ccc2nccn2c1 ZINC001174276486 1132784176 /nfs/dbraw/zinc/78/41/76/1132784176.db2.gz DUSJIQIOIHKQMM-UHFFFAOYSA-N 0 1 261.687 3.870 20 0 CHADMN Cc1cncc2cccc(Nc3ccc4nccn4c3)c12 ZINC001174277934 1132786432 /nfs/dbraw/zinc/78/64/32/1132786432.db2.gz OEKUXPVWQSTPAQ-UHFFFAOYSA-N 0 1 274.327 3.935 20 0 CHADMN CCOc1ccnc(N(C)[C@H]2CCc3ccccc32)c1 ZINC001158922382 1132798524 /nfs/dbraw/zinc/79/85/24/1132798524.db2.gz UWKLNFHIZPVEBE-INIZCTEOSA-N 0 1 268.360 3.604 20 0 CHADMN Cc1ccc(N(C)[C@@H]2CCc3ccccc32)nc1C ZINC001158923057 1132799138 /nfs/dbraw/zinc/79/91/38/1132799138.db2.gz ZAXYJUKDKNWDDU-MRXNPFEDSA-N 0 1 252.361 3.822 20 0 CHADMN Cc1cnc(Nc2cccc3[nH]ncc32)c(Cl)c1 ZINC001174342741 1132799570 /nfs/dbraw/zinc/79/95/70/1132799570.db2.gz FOOIFGVQCFZULG-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN FC(F)(F)c1ccc(Nc2cccc3[nH]ncc32)cn1 ZINC001174342315 1132799764 /nfs/dbraw/zinc/79/97/64/1132799764.db2.gz JZJRRUKVLSJHIJ-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN c1n[nH]c2cccc(Nc3cccnc3N3CCCCC3)c12 ZINC001174343674 1132802048 /nfs/dbraw/zinc/80/20/48/1132802048.db2.gz YTSSNDOXWWTRFE-UHFFFAOYSA-N 0 1 293.374 3.692 20 0 CHADMN Cc1ccc(Nc2cccc3[nH]ncc32)c(Cl)n1 ZINC001174344028 1132802910 /nfs/dbraw/zinc/80/29/10/1132802910.db2.gz VDSOCUZJDUXYOO-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN COC(=O)c1c(F)ccc(Nc2cccc3[nH]ncc32)c1C ZINC001174345350 1132803699 /nfs/dbraw/zinc/80/36/99/1132803699.db2.gz WAXZVZRTZYFUCS-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN COc1ccc(C)c(Nc2cccc3[nH]ncc32)c1 ZINC001174345068 1132803793 /nfs/dbraw/zinc/80/37/93/1132803793.db2.gz WKLJMCCFHUNNFE-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN CCOC(=O)c1cccc(Nc2cccc3[nH]ncc32)c1C ZINC001174345463 1132803865 /nfs/dbraw/zinc/80/38/65/1132803865.db2.gz BWEOWYDCZOWHAA-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN CCn1cc2cc(Nc3cccc4[nH]ncc43)ccc2n1 ZINC001174345898 1132804646 /nfs/dbraw/zinc/80/46/46/1132804646.db2.gz ZZIZGRKNLPJTAP-UHFFFAOYSA-N 0 1 277.331 3.676 20 0 CHADMN Cc1ccc2[nH]nnc2c1NC(=O)CC1CCCCCC1 ZINC001159305252 1132826889 /nfs/dbraw/zinc/82/68/89/1132826889.db2.gz ZUGRXPHYCBOZIK-UHFFFAOYSA-N 0 1 286.379 3.565 20 0 CHADMN Cc1c(F)cccc1Nc1cc([C@H]2CCCCN2)no1 ZINC001159308740 1132827297 /nfs/dbraw/zinc/82/72/97/1132827297.db2.gz MQCAQZSFXWRICE-CYBMUJFWSA-N 0 1 275.327 3.680 20 0 CHADMN Fc1ccc(F)c(Nc2cc([C@H]3CCCCN3)no2)c1 ZINC001159309687 1132829805 /nfs/dbraw/zinc/82/98/05/1132829805.db2.gz XYMHBBYBAADCID-LLVKDONJSA-N 0 1 279.290 3.511 20 0 CHADMN Cc1cc(F)cc(C)c1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159312672 1132830092 /nfs/dbraw/zinc/83/00/92/1132830092.db2.gz FFFPHJXKQJDXSU-ZDUSSCGKSA-N 0 1 289.354 3.989 20 0 CHADMN COc1ccc(C)c(Nc2cc([C@H]3CCCCN3)no2)c1 ZINC001159313923 1132830135 /nfs/dbraw/zinc/83/01/35/1132830135.db2.gz VJNBVAXLFDYRFN-CYBMUJFWSA-N 0 1 287.363 3.550 20 0 CHADMN Cc1c(F)c(F)ccc1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159313526 1132830146 /nfs/dbraw/zinc/83/01/46/1132830146.db2.gz QBEWAEURNJWPCX-LBPRGKRZSA-N 0 1 293.317 3.819 20 0 CHADMN Nc1cc(F)ccc1Nc1cc(Cl)cc2[nH]ncc21 ZINC001159443096 1132845418 /nfs/dbraw/zinc/84/54/18/1132845418.db2.gz JQHJWLJHANUBPQ-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN CCOc1ccc(F)cc1Nc1ccc2c[nH]nc2c1 ZINC001174500109 1132857078 /nfs/dbraw/zinc/85/70/78/1132857078.db2.gz KPIHLGVRYAUQBD-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN CCC(=O)c1cccc(Nc2ccc3c[nH]nc3c2)c1 ZINC001174500157 1132859703 /nfs/dbraw/zinc/85/97/03/1132859703.db2.gz BUQQFCFWALJXMA-UHFFFAOYSA-N 0 1 265.316 3.899 20 0 CHADMN c1n[nH]c2cc(Nc3cc(-c4ccccc4)cnn3)ccc12 ZINC001174498450 1132863545 /nfs/dbraw/zinc/86/35/45/1132863545.db2.gz DYRWFLFTAMQBIK-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1[nH]nc2cc(Nc3csc4ncccc34)ccc12 ZINC001174498116 1132863822 /nfs/dbraw/zinc/86/38/22/1132863822.db2.gz VPYQBRNFICJSFG-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN Fc1ccc2ncc(Nc3ccc4c[nH]nc4c3)cc2c1 ZINC001174498549 1132863852 /nfs/dbraw/zinc/86/38/52/1132863852.db2.gz OOVFUOBMIWJXAC-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN FC(F)(F)c1cccnc1Nc1ccc2cn[nH]c2c1 ZINC001174498477 1132864359 /nfs/dbraw/zinc/86/43/59/1132864359.db2.gz GAELJCIIMMGMQA-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN Cc1cc(Nc2ccc3c[nH]nc3c2)n(CC2CCC2)n1 ZINC001174498696 1132864666 /nfs/dbraw/zinc/86/46/66/1132864666.db2.gz KSEYRSJEIUMMOQ-UHFFFAOYSA-N 0 1 281.363 3.612 20 0 CHADMN c1[nH]nc2cc(Nc3cnc4c(c3)CCCC4)ccc12 ZINC001174497984 1132865047 /nfs/dbraw/zinc/86/50/47/1132865047.db2.gz FHRUJCMDXNTXGN-UHFFFAOYSA-N 0 1 264.332 3.580 20 0 CHADMN Cn1cc(Nc2ccc3c[nH]nc3c2)c(-c2ccccc2)n1 ZINC001159662022 1132884508 /nfs/dbraw/zinc/88/45/08/1132884508.db2.gz OLHGTVCPRSDEMF-UHFFFAOYSA-N 0 1 289.342 3.707 20 0 CHADMN CCOc1cc(F)c(F)cc1Nc1ccc2c[nH]nc2c1 ZINC001159663172 1132886755 /nfs/dbraw/zinc/88/67/55/1132886755.db2.gz SNCWXIQMWFNYOH-UHFFFAOYSA-N 0 1 289.285 3.983 20 0 CHADMN COc1ccc2c(ccnc2NCOc2ccccc2)c1 ZINC001159702129 1132894230 /nfs/dbraw/zinc/89/42/30/1132894230.db2.gz DYXKOXGQWACUIH-UHFFFAOYSA-N 0 1 280.327 3.692 20 0 CHADMN COC(=O)c1c(F)ccc(Nc2ccc3c[nH]nc3c2)c1C ZINC001174501485 1132902241 /nfs/dbraw/zinc/90/22/41/1132902241.db2.gz VSDJNXIVSDQDOD-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN CC(=O)c1cc(C)ccc1Nc1ccc2c[nH]nc2c1 ZINC001174502065 1132902254 /nfs/dbraw/zinc/90/22/54/1132902254.db2.gz DWDPAWRNUXCLDN-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN Cc1cc(=O)c2ccc(Nc3ccc4c[nH]nc4c3)cc2o1 ZINC001174501423 1132902294 /nfs/dbraw/zinc/90/22/94/1132902294.db2.gz RRLFFOFGSDKEDT-UHFFFAOYSA-N 0 1 291.310 3.721 20 0 CHADMN Cc1cc(O)cc(C)c1Nc1ccc2c[nH]nc2c1 ZINC001174501569 1132902476 /nfs/dbraw/zinc/90/24/76/1132902476.db2.gz ZPYLPBNZLXWBKG-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Fc1cc2cccnc2c(Nc2ccc3c[nH]nc3c2)c1 ZINC001174501344 1132902700 /nfs/dbraw/zinc/90/27/00/1132902700.db2.gz OALFYOLVSINZCT-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN COc1ccc2cc(Nc3ccc4c[nH]nc4c3)ccc2n1 ZINC001174502088 1132903345 /nfs/dbraw/zinc/90/33/45/1132903345.db2.gz SLYHEGCERZIDMZ-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN CNc1cccc(C)c1Nc1ccc2c[nH]nc2c1 ZINC001174502538 1132904461 /nfs/dbraw/zinc/90/44/61/1132904461.db2.gz UGXPARPYWHTNCV-UHFFFAOYSA-N 0 1 252.321 3.657 20 0 CHADMN Nc1ccc(NC2=CCCN(Cc3ccccc3)C2)c(F)c1 ZINC001159836880 1132914565 /nfs/dbraw/zinc/91/45/65/1132914565.db2.gz JTVGLBXOBYHFMX-UHFFFAOYSA-N 0 1 297.377 3.610 20 0 CHADMN CC(C)Oc1ccnc(N[C@H]2CCc3ccc(O)cc3C2)c1 ZINC001159893192 1132919209 /nfs/dbraw/zinc/91/92/09/1132919209.db2.gz KSIHBBOXRNXUFO-HNNXBMFYSA-N 0 1 298.386 3.544 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccc2c[nH]nc21 ZINC001160204559 1132944421 /nfs/dbraw/zinc/94/44/21/1132944421.db2.gz NSEGADAXBPIEBO-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN c1nc2ccc(Nc3cccc(OC4CC4)c3)cc2[nH]1 ZINC001160224662 1132950052 /nfs/dbraw/zinc/95/00/52/1132950052.db2.gz UVJXHRJLTZMMKY-UHFFFAOYSA-N 0 1 265.316 3.848 20 0 CHADMN Cc1ccc(Nc2ccc(C)c3[nH]ncc32)c(N)c1 ZINC001160340515 1132965337 /nfs/dbraw/zinc/96/53/37/1132965337.db2.gz QNEFOFOFYNQQCZ-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN Cc1c(Cl)cnn1CN(C)[C@H](C)Cc1cccc(F)c1 ZINC000840165107 1132968730 /nfs/dbraw/zinc/96/87/30/1132968730.db2.gz BEGOSPQILCZIHI-LLVKDONJSA-N 0 1 295.789 3.505 20 0 CHADMN CCCC[C@H](C)N(C)C(=O)c1ccc(CN2CCCC2)o1 ZINC001160688686 1132978968 /nfs/dbraw/zinc/97/89/68/1132978968.db2.gz LEVBNRSJPXPTAV-AWEZNQCLSA-N 0 1 292.423 3.526 20 0 CHADMN CCC1(Nc2cc3cc(OC)c(OC)cc3cn2)CCC1 ZINC001161561883 1133006392 /nfs/dbraw/zinc/00/63/92/1133006392.db2.gz VGCHPWAYUBXZQB-UHFFFAOYSA-N 0 1 286.375 3.997 20 0 CHADMN COc1ncccc1[C@H](Nc1cc(C)c(C)cn1)C1CC1 ZINC001161792591 1133029404 /nfs/dbraw/zinc/02/94/04/1133029404.db2.gz TVELUFZHGWWLOP-MRXNPFEDSA-N 0 1 283.375 3.665 20 0 CHADMN Cc1cnc(N[C@H](c2cncc(F)c2)C2CC2)c(C)c1 ZINC001161816193 1133031144 /nfs/dbraw/zinc/03/11/44/1133031144.db2.gz YMEPPCLEVYYCKW-HNNXBMFYSA-N 0 1 271.339 3.796 20 0 CHADMN CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC001161843408 1133035642 /nfs/dbraw/zinc/03/56/42/1133035642.db2.gz GVTLCJXNLXLCOW-ZIAGYGMSSA-N 0 1 299.418 3.899 20 0 CHADMN c1ccc([C@@H](Nc2cccc3[nH]nnc32)C2CC2)cc1 ZINC001161963125 1133044031 /nfs/dbraw/zinc/04/40/31/1133044031.db2.gz VJDHFJUBVOIJFA-OAHLLOKOSA-N 0 1 264.332 3.521 20 0 CHADMN Cc1ccnc(NCCc2cccc(Cl)c2F)c1 ZINC001161984422 1133046868 /nfs/dbraw/zinc/04/68/68/1133046868.db2.gz WPCFMPUHNFMLQB-UHFFFAOYSA-N 0 1 264.731 3.837 20 0 CHADMN Cc1nc2ccc(NC[C@@H]3CCCC[C@H]3C)nc2[nH]1 ZINC001162524459 1133088057 /nfs/dbraw/zinc/08/80/57/1133088057.db2.gz HAPVQCAQYXZEAW-PWSUYJOCSA-N 0 1 258.369 3.505 20 0 CHADMN FC1(F)CC[C@@H](CNc2cc(OCC3CC3)ccn2)C1 ZINC001162648665 1133100095 /nfs/dbraw/zinc/10/00/95/1133100095.db2.gz SVTICYXCMUZYRJ-GFCCVEGCSA-N 0 1 282.334 3.718 20 0 CHADMN Cc1cc(N(C)C)ncc1NCc1cn(C)c2ccccc12 ZINC001162831398 1133115134 /nfs/dbraw/zinc/11/51/34/1133115134.db2.gz QWZLBKFPTZFTKH-UHFFFAOYSA-N 0 1 294.402 3.560 20 0 CHADMN Cn1cc(CNc2ccc3nc[nH]c3c2)c2ccccc21 ZINC001162834800 1133116407 /nfs/dbraw/zinc/11/64/07/1133116407.db2.gz GUDUSYJABZUTQK-UHFFFAOYSA-N 0 1 276.343 3.667 20 0 CHADMN C[C@@H](NCC1CCCC1)c1nc(Cc2ccccc2)no1 ZINC000173898707 1133119858 /nfs/dbraw/zinc/11/98/58/1133119858.db2.gz IRFDOYQZQPRPDJ-CYBMUJFWSA-N 0 1 285.391 3.501 20 0 CHADMN COc1c(F)cccc1[C@@H](C)Nc1ccc2c(n1)CCC2 ZINC001163335228 1133142584 /nfs/dbraw/zinc/14/25/84/1133142584.db2.gz MWOIZHIOMCPOMF-LLVKDONJSA-N 0 1 286.350 3.891 20 0 CHADMN CSCCCNc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001163879971 1133182010 /nfs/dbraw/zinc/18/20/10/1133182010.db2.gz QEQQXBOYNPPLNH-UHFFFAOYSA-N 0 1 271.389 3.881 20 0 CHADMN CC[C@H](C)CCCCC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC001163930872 1133185033 /nfs/dbraw/zinc/18/50/33/1133185033.db2.gz YFAXRNOKDLRCFJ-JKSUJKDBSA-N 0 1 296.499 3.782 20 0 CHADMN Cc1cnc(NCc2cc3ccccc3n2C)c2[nH]ccc21 ZINC001163931412 1133185052 /nfs/dbraw/zinc/18/50/52/1133185052.db2.gz DMFLIRDOCGOOGV-UHFFFAOYSA-N 0 1 290.370 3.975 20 0 CHADMN Cc1cnc(N2CCc3ccccc3[C@@H]2C)cc1C ZINC001163955677 1133187196 /nfs/dbraw/zinc/18/71/96/1133187196.db2.gz ATMMOASRCXAZRG-AWEZNQCLSA-N 0 1 252.361 3.822 20 0 CHADMN Cc1ccc(N2CCc3ccccc3[C@H]2C)nc1C ZINC001163955344 1133187893 /nfs/dbraw/zinc/18/78/93/1133187893.db2.gz RYLXQJRIMKCVHQ-CQSZACIVSA-N 0 1 252.361 3.822 20 0 CHADMN Cc1c2nc[nH]c2ccc1NCCOc1ccccc1F ZINC001163956476 1133188424 /nfs/dbraw/zinc/18/84/24/1133188424.db2.gz MNKKZZCMUFMYAY-UHFFFAOYSA-N 0 1 285.322 3.501 20 0 CHADMN C[C@]1(C(=O)Nc2ccc(Nc3ccncc3)cc2)C=CCC1 ZINC001164425130 1133217964 /nfs/dbraw/zinc/21/79/64/1133217964.db2.gz KQDDUPKJBYKBSQ-SFHVURJKSA-N 0 1 293.370 3.542 20 0 CHADMN c1ccc(COc2ccnc(NC[C@H]3CCCCO3)c2)cc1 ZINC001164674138 1133226180 /nfs/dbraw/zinc/22/61/80/1133226180.db2.gz SOCJWZPXPFVAFF-QGZVFWFLSA-N 0 1 298.386 3.642 20 0 CHADMN CCc1ccc(CN2CC[C@H](Oc3ccc(F)cc3)C2)o1 ZINC001204393799 1133228283 /nfs/dbraw/zinc/22/82/83/1133228283.db2.gz TYLTXONTDDVBFX-KRWDZBQOSA-N 0 1 289.350 3.634 20 0 CHADMN Cc1ccc(N(CC(C)C)C(=O)CN(C)C(C)C)c(C)c1 ZINC001165261118 1133233927 /nfs/dbraw/zinc/23/39/27/1133233927.db2.gz MOAYCTYKNXCETF-UHFFFAOYSA-N 0 1 290.451 3.633 20 0 CHADMN Cc1cn[nH]c1CSc1ccc(F)c(Cl)c1 ZINC001165282725 1133236217 /nfs/dbraw/zinc/23/62/17/1133236217.db2.gz WPSWFKRYRPLMDR-UHFFFAOYSA-N 0 1 256.733 3.803 20 0 CHADMN FC(F)Oc1ccnc(NC/C=C/c2ccccc2)c1 ZINC001166153958 1133261155 /nfs/dbraw/zinc/26/11/55/1133261155.db2.gz IWGRAOKQBOQWQN-QPJJXVBHSA-N 0 1 276.286 3.808 20 0 CHADMN Clc1ccccc1CN1CC[C@@H](Oc2ccccc2)C1 ZINC001203381932 1133262737 /nfs/dbraw/zinc/26/27/37/1133262737.db2.gz MNCFMJQZJWPLCV-MRXNPFEDSA-N 0 1 287.790 3.993 20 0 CHADMN Cc1cnc(N2CCC(CCc3ccccc3)CC2)c(N)c1 ZINC001166572880 1133271835 /nfs/dbraw/zinc/27/18/35/1133271835.db2.gz MYFOOGHOKSOAKT-UHFFFAOYSA-N 0 1 295.430 3.821 20 0 CHADMN CC(=O)c1c(F)cccc1OCc1ccc2nc(C)[nH]c2c1 ZINC001166804800 1133289344 /nfs/dbraw/zinc/28/93/44/1133289344.db2.gz FMXMYAZPHNDXIR-UHFFFAOYSA-N 0 1 298.317 3.792 20 0 CHADMN COc1ccc2c(ccnc2N(C)Cc2ccsc2)c1 ZINC001166822010 1133289756 /nfs/dbraw/zinc/28/97/56/1133289756.db2.gz MDVPOLYCOYFTSF-UHFFFAOYSA-N 0 1 284.384 3.941 20 0 CHADMN Cc1cc(NCc2ccccc2C2CC2)nc2[nH]cnc21 ZINC001167011743 1133299944 /nfs/dbraw/zinc/29/99/44/1133299944.db2.gz FKHNJUHEDRMPQG-UHFFFAOYSA-N 0 1 278.359 3.756 20 0 CHADMN COc1ccc(F)c(CNCc2cccc3ccoc32)c1 ZINC001203208703 1133305468 /nfs/dbraw/zinc/30/54/68/1133305468.db2.gz UAUMGGBIUOQSSY-UHFFFAOYSA-N 0 1 285.318 3.870 20 0 CHADMN CCc1cc(CN2CCC[C@H]2c2ccc(C)cc2)on1 ZINC001203219345 1133306020 /nfs/dbraw/zinc/30/60/20/1133306020.db2.gz MNEMWRFTNFSNPC-KRWDZBQOSA-N 0 1 270.376 3.883 20 0 CHADMN CC(C)(C)OC(=O)C[C@@H]1CCCN1Cc1ccccc1F ZINC001203357603 1133317081 /nfs/dbraw/zinc/31/70/81/1133317081.db2.gz RKTHYGOHDOFKMJ-AWEZNQCLSA-N 0 1 293.382 3.522 20 0 CHADMN C[C@@H]1CCN(Cc2c(Cl)cccc2Cl)CC[C@H]1O ZINC001203416530 1133323392 /nfs/dbraw/zinc/32/33/92/1133323392.db2.gz OHCZLYYAYHUWIM-QMTHXVAHSA-N 0 1 288.218 3.586 20 0 CHADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1c(F)cccc1Cl ZINC001203409582 1133323661 /nfs/dbraw/zinc/32/36/61/1133323661.db2.gz WXHVDLGQEFBDEW-FOSCPWQOSA-N 0 1 283.774 3.621 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cnc(OC)c(F)c1 ZINC001203522122 1133334720 /nfs/dbraw/zinc/33/47/20/1133334720.db2.gz KOJGJFLEPVWAQP-UHFFFAOYSA-N 0 1 299.305 3.530 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cnccc1F ZINC001203525032 1133335738 /nfs/dbraw/zinc/33/57/38/1133335738.db2.gz NDSPXTXXXKOJCA-UHFFFAOYSA-N 0 1 269.279 3.521 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccc2nccn21 ZINC001203519880 1133336368 /nfs/dbraw/zinc/33/63/68/1133336368.db2.gz LYXHUQHQKZTTNX-UHFFFAOYSA-N 0 1 290.326 3.635 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(C)ccc1CO ZINC001203528439 1133337619 /nfs/dbraw/zinc/33/76/19/1133337619.db2.gz OUULCDAVJCCWOY-UHFFFAOYSA-N 0 1 294.354 3.788 20 0 CHADMN Cc1ncn(C)c1Nc1cncc(Oc2ccccc2)c1 ZINC001203555901 1133339379 /nfs/dbraw/zinc/33/93/79/1133339379.db2.gz JAZNLKLSUHBDAF-UHFFFAOYSA-N 0 1 280.331 3.659 20 0 CHADMN Cc1ccc(CN2CCCC(F)(F)[C@H](F)C2)c(C)c1 ZINC001203729360 1133359986 /nfs/dbraw/zinc/35/99/86/1133359986.db2.gz LYLDJXRTUMDOEE-CQSZACIVSA-N 0 1 271.326 3.873 20 0 CHADMN COc1ccc2c(c1)C[N@H+](Cc1cccc(F)c1)CCC2 ZINC001203788108 1133368429 /nfs/dbraw/zinc/36/84/29/1133368429.db2.gz GPDZIIKYFLNEPC-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cccc(F)c1)CCC2 ZINC001203788108 1133368432 /nfs/dbraw/zinc/36/84/32/1133368432.db2.gz GPDZIIKYFLNEPC-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN Clc1ccc(CN2CC[C@@H]3OCC[C@H]3C2)cc1Cl ZINC001203802742 1133371722 /nfs/dbraw/zinc/37/17/22/1133371722.db2.gz VOJUOOXSUUERKX-FZMZJTMJSA-N 0 1 286.202 3.604 20 0 CHADMN FC(F)(F)c1cccc(CN2CCC[C@H]3C[C@H]32)c1 ZINC001203886400 1133379610 /nfs/dbraw/zinc/37/96/10/1133379610.db2.gz AEZBPJRSAPOJEU-WCQYABFASA-N 0 1 255.283 3.690 20 0 CHADMN FC(F)(F)c1cccc(CN2CC[C@@]3(C2)CCCCO3)c1 ZINC001203885683 1133380054 /nfs/dbraw/zinc/38/00/54/1133380054.db2.gz QYWBSADXZJNTGG-OAHLLOKOSA-N 0 1 299.336 3.850 20 0 CHADMN Fc1ccc(CN2CCOC[C@H]2C2CCCCC2)cc1 ZINC001203915154 1133383205 /nfs/dbraw/zinc/38/32/05/1133383205.db2.gz LKXMDAJWLWOBNL-KRWDZBQOSA-N 0 1 277.383 3.607 20 0 CHADMN F[C@H]1CCCN(Cc2ccc(Br)cc2)CC1 ZINC001203907373 1133383745 /nfs/dbraw/zinc/38/37/45/1133383745.db2.gz XSOUFXNEILJRGR-ZDUSSCGKSA-N 0 1 286.188 3.773 20 0 CHADMN C[C@@H](c1ccccc1)N1CCN(Cc2ccc(F)cc2)CC1 ZINC001203917438 1133384618 /nfs/dbraw/zinc/38/46/18/1133384618.db2.gz JYEUZBWUNQDHDY-INIZCTEOSA-N 0 1 298.405 3.705 20 0 CHADMN Fc1ccc(CN2CC[C@H]2COCc2ccccc2)cc1 ZINC001203916224 1133384678 /nfs/dbraw/zinc/38/46/78/1133384678.db2.gz JLTWFJKVSDYFFM-SFHVURJKSA-N 0 1 285.362 3.617 20 0 CHADMN CCOC(=O)[C@]1(C)CCCN(Cc2ccc(Cl)cc2)C1 ZINC001203924094 1133387175 /nfs/dbraw/zinc/38/71/75/1133387175.db2.gz ZPTMVZVFGDHAFU-MRXNPFEDSA-N 0 1 295.810 3.505 20 0 CHADMN Fc1cccc([C@H]2CCCN2Cc2ccc3c(c2)OCO3)c1 ZINC001204052925 1133403692 /nfs/dbraw/zinc/40/36/92/1133403692.db2.gz XHSMKYKNTHZMSU-MRXNPFEDSA-N 0 1 299.345 3.892 20 0 CHADMN c1[nH]c2ccccc2c1C[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001204044594 1133404020 /nfs/dbraw/zinc/40/40/20/1133404020.db2.gz CDUSVJJIVIFDOT-LJQANCHMSA-N 0 1 298.430 3.949 20 0 CHADMN Cc1cccc(CNCc2cc3ccccc3[nH]c2=O)c1F ZINC001204103060 1133407867 /nfs/dbraw/zinc/40/78/67/1133407867.db2.gz HGNGNGHHPWANKG-UHFFFAOYSA-N 0 1 296.345 3.678 20 0 CHADMN CSc1ccc(CN2CCCC[C@@H](F)C2)cc1 ZINC001204138512 1133410250 /nfs/dbraw/zinc/41/02/50/1133410250.db2.gz KPDGFRPMMVCDDO-CYBMUJFWSA-N 0 1 253.386 3.733 20 0 CHADMN CSc1ccc(CN2C[C@@H](C)C[C@H]2CF)cc1 ZINC001204139163 1133410929 /nfs/dbraw/zinc/41/09/29/1133410929.db2.gz WNESUZSUVRNFLD-AAEUAGOBSA-N 0 1 253.386 3.588 20 0 CHADMN CCc1ccc(CN2CCc3nc(C)sc3C2)cc1 ZINC001204177571 1133415558 /nfs/dbraw/zinc/41/55/58/1133415558.db2.gz VKRBVEPIDMLYIY-UHFFFAOYSA-N 0 1 272.417 3.572 20 0 CHADMN C[C@@H]1CN(Cc2nccn2C2CC2)CC[C@@H]1c1ccccc1 ZINC001204205111 1133419976 /nfs/dbraw/zinc/41/99/76/1133419976.db2.gz OJTAGOVQXXICDH-QAPCUYQASA-N 0 1 295.430 3.844 20 0 CHADMN CN(CCc1ccc(F)cc1)Cc1cc(F)ccc1F ZINC001204219699 1133420836 /nfs/dbraw/zinc/42/08/36/1133420836.db2.gz IRYSGXHUHNTIMZ-UHFFFAOYSA-N 0 1 279.305 3.778 20 0 CHADMN C[C@]1(F)CCCN(Cc2cc(F)cc(F)c2)CC1 ZINC001204227527 1133420924 /nfs/dbraw/zinc/42/09/24/1133420924.db2.gz ILYXVVPFNOPPEO-AWEZNQCLSA-N 0 1 257.299 3.679 20 0 CHADMN Cc1[nH]c2ccccc2c1C[N@H+](C)Cc1cccnc1C ZINC001204293428 1133431323 /nfs/dbraw/zinc/43/13/23/1133431323.db2.gz YLXCPPAQFBOXHM-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN Cn1cc(CN2CCC[C@@H]2c2nccs2)c2ccccc21 ZINC001204323774 1133437384 /nfs/dbraw/zinc/43/73/84/1133437384.db2.gz GMXKMTGYWPTIQF-MRXNPFEDSA-N 0 1 297.427 3.972 20 0 CHADMN CCc1ccc(CN2CC[C@@H](OCc3ccccc3)C2)o1 ZINC001204393502 1133443191 /nfs/dbraw/zinc/44/31/91/1133443191.db2.gz QHVIKPJOGRXLPH-QGZVFWFLSA-N 0 1 285.387 3.633 20 0 CHADMN Clc1ccc(CN2CC[C@H](COCC3CC3)C2)s1 ZINC001204442125 1133447361 /nfs/dbraw/zinc/44/73/61/1133447361.db2.gz IJBOESWJLALKRW-LBPRGKRZSA-N 0 1 285.840 3.650 20 0 CHADMN Cc1ccccc1N1CCN(Cc2cccc(F)c2C)CC1 ZINC001204507134 1133455272 /nfs/dbraw/zinc/45/52/72/1133455272.db2.gz SCFRQBUYBOKKNS-UHFFFAOYSA-N 0 1 298.405 3.765 20 0 CHADMN COc1ccccc1CN(C)Cc1cccc(F)c1C ZINC001204512042 1133455845 /nfs/dbraw/zinc/45/58/45/1133455845.db2.gz YNHABJHABIKQAU-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN C[C@@H]1CN(Cc2ccc(F)c3ccccc23)CC(C)(C)O1 ZINC001204516367 1133456128 /nfs/dbraw/zinc/45/61/28/1133456128.db2.gz TYMAHCMYQBIKFJ-CYBMUJFWSA-N 0 1 287.378 3.978 20 0 CHADMN COc1ccc2cc(CN3CCC(=O)[C@H](C)CC3)ccc2c1 ZINC001204516011 1133456417 /nfs/dbraw/zinc/45/64/17/1133456417.db2.gz SQSKTCFHRFWXHR-CQSZACIVSA-N 0 1 297.398 3.649 20 0 CHADMN COc1ccc2cc(CN3CCOC[C@H]3C(C)C)ccc2c1 ZINC001204516285 1133456599 /nfs/dbraw/zinc/45/65/99/1133456599.db2.gz ASEVDGVOPUYHCH-IBGZPJMESA-N 0 1 299.414 3.705 20 0 CHADMN Cc1c(F)cccc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC001204513257 1133456923 /nfs/dbraw/zinc/45/69/23/1133456923.db2.gz WKOVBVKVMIPLDN-GFCCVEGCSA-N 0 1 275.289 3.908 20 0 CHADMN Cc1cc(C)cc(CN2CC3(C2)CC(F)(F)CS3)c1 ZINC001204523780 1133458192 /nfs/dbraw/zinc/45/81/92/1133458192.db2.gz GFMGHEYAAHFYHM-UHFFFAOYSA-N 0 1 283.387 3.630 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccncc2)oc1C ZINC001204535821 1133459716 /nfs/dbraw/zinc/45/97/16/1133459716.db2.gz ZFKUYZMZEJZNMZ-INIZCTEOSA-N 0 1 256.349 3.629 20 0 CHADMN COc1cc(CN2CCCc3ccccc3C2)ccc1F ZINC001204557947 1133462551 /nfs/dbraw/zinc/46/25/51/1133462551.db2.gz BUEPRHWDDBNFSR-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN C[C@H]1CCN(Cc2cc(Cl)ccc2Cl)CC[C@@H]1O ZINC001204563174 1133462816 /nfs/dbraw/zinc/46/28/16/1133462816.db2.gz YHUIYQOVOIMFIP-HZMBPMFUSA-N 0 1 288.218 3.586 20 0 CHADMN Clc1ccc(Cl)c(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC001204568800 1133464359 /nfs/dbraw/zinc/46/43/59/1133464359.db2.gz PKQDBUPNTIFJGS-IINYFYTJSA-N 0 1 286.202 3.604 20 0 CHADMN Clc1ccc(Cl)c(CN2CC[C@H]3OCC[C@H]3C2)c1 ZINC001204568800 1133464361 /nfs/dbraw/zinc/46/43/61/1133464361.db2.gz PKQDBUPNTIFJGS-IINYFYTJSA-N 0 1 286.202 3.604 20 0 CHADMN COCOc1cc(C)c(-c2cccc3cncn32)c(C)c1 ZINC001204605658 1133466863 /nfs/dbraw/zinc/46/68/63/1133466863.db2.gz RDPOUQCKUHDLPF-UHFFFAOYSA-N 0 1 282.343 3.601 20 0 CHADMN C[C@H]1CN(Cc2cnn(CC3CCC3)c2)[C@@H]1c1ccccc1 ZINC001204681660 1133474789 /nfs/dbraw/zinc/47/47/89/1133474789.db2.gz LGNNAYNSZJWJDL-KXBFYZLASA-N 0 1 295.430 3.876 20 0 CHADMN C[C@@H]1CN(Cc2cnn(CC3CCC3)c2)[C@H]1c1ccccc1 ZINC001204681656 1133475488 /nfs/dbraw/zinc/47/54/88/1133475488.db2.gz LGNNAYNSZJWJDL-DNVCBOLYSA-N 0 1 295.430 3.876 20 0 CHADMN CCCOc1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)cc1C ZINC001204735823 1133479589 /nfs/dbraw/zinc/47/95/89/1133479589.db2.gz FACWLSQIHDXRMZ-KRWDZBQOSA-N 0 1 291.435 3.785 20 0 CHADMN Cc1coc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC001204783468 1133485377 /nfs/dbraw/zinc/48/53/77/1133485377.db2.gz JPRADVICLZSNAR-HNNXBMFYSA-N 0 1 285.343 3.654 20 0 CHADMN CN[C@H](c1nc(-c2ccccc2Cl)no1)C(C)(C)C ZINC001204887911 1133495825 /nfs/dbraw/zinc/49/58/25/1133495825.db2.gz CBJFFHDWHMWWTR-LLVKDONJSA-N 0 1 279.771 3.697 20 0 CHADMN CCC1(C)CCN(Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC001204907805 1133498493 /nfs/dbraw/zinc/49/84/93/1133498493.db2.gz KSQCGTYPLYUOBK-UHFFFAOYSA-N 0 1 281.831 3.953 20 0 CHADMN COc1ccc(CN(C)[C@@H]2CCc3ccccc32)c(F)c1 ZINC001204947254 1133506113 /nfs/dbraw/zinc/50/61/13/1133506113.db2.gz HTJVBQKEAVGVRL-GOSISDBHSA-N 0 1 285.362 3.954 20 0 CHADMN Cc1nc2scc(C3CC3)n2c1CN1CCC[C@@H](C)C1 ZINC001205045776 1133520823 /nfs/dbraw/zinc/52/08/23/1133520823.db2.gz DHAGIIMGNHCJMU-LLVKDONJSA-N 0 1 289.448 3.814 20 0 CHADMN Cc1cccc(CN2CCC(=O)[C@H]3CCCC[C@H]32)c1C ZINC001205061023 1133522919 /nfs/dbraw/zinc/52/29/19/1133522919.db2.gz ZJAYYIVLFAYADK-DLBZAZTESA-N 0 1 271.404 3.637 20 0 CHADMN Nc1nccc(Cl)c1CN1CCC2(CCCCC2)CC1 ZINC001205170661 1133540371 /nfs/dbraw/zinc/54/03/71/1133540371.db2.gz APFYMZHCAHBYOJ-UHFFFAOYSA-N 0 1 293.842 3.864 20 0 CHADMN CCNc1ccccc1CN1CCc2sccc2C1 ZINC001205171271 1133541047 /nfs/dbraw/zinc/54/10/47/1133541047.db2.gz ZWHQHTJRCCSXTJ-UHFFFAOYSA-N 0 1 272.417 3.738 20 0 CHADMN Cc1ccc(CN2CCN(C)C[C@@H]2c2ccccc2)cc1F ZINC001205205673 1133545978 /nfs/dbraw/zinc/54/59/78/1133545978.db2.gz HBFLBUBAGCAAIA-LJQANCHMSA-N 0 1 298.405 3.623 20 0 CHADMN CC[C@@H](C)[C@H](CN(Cc1ccc(F)cc1F)C1CC1)OC ZINC001205208902 1133546476 /nfs/dbraw/zinc/54/64/76/1133546476.db2.gz QFEKDNNXZLJQBI-PXAZEXFGSA-N 0 1 297.389 3.990 20 0 CHADMN CCCn1cncc1CN(Cc1ccccc1C)C1CC1 ZINC001205208762 1133546642 /nfs/dbraw/zinc/54/66/42/1133546642.db2.gz MVLAUSWMLINWMH-UHFFFAOYSA-N 0 1 283.419 3.766 20 0 CHADMN Cc1ccc(CN2CC[C@@](CF)(C(F)(F)F)C2)cc1F ZINC001205215505 1133547342 /nfs/dbraw/zinc/54/73/42/1133547342.db2.gz RUVNBKQIUPEYGZ-ZDUSSCGKSA-N 0 1 293.279 3.858 20 0 CHADMN Cc1ccc2nc(CN3CC(C)(C)CC(C)(C)C3)cn2c1 ZINC001205238358 1133548650 /nfs/dbraw/zinc/54/86/50/1133548650.db2.gz SVRLKOVYEPUJPT-UHFFFAOYSA-N 0 1 285.435 3.901 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](C(F)F)C2)cc1F ZINC001205236656 1133549042 /nfs/dbraw/zinc/54/90/42/1133549042.db2.gz SQTDRWJNAQDEMB-GFCCVEGCSA-N 0 1 257.299 3.611 20 0 CHADMN C[C@@H]1CC[C@H](NCc2nc(-c3ccccc3)no2)C[C@@H]1C ZINC001205298526 1133557272 /nfs/dbraw/zinc/55/72/72/1133557272.db2.gz DXHFMPIHHUKMOW-IPYPFGDCSA-N 0 1 285.391 3.651 20 0 CHADMN COc1cccc(Cl)c1CNC[C@@H]1CC1(Cl)Cl ZINC001205411447 1133573402 /nfs/dbraw/zinc/57/34/02/1133573402.db2.gz FAXIOKOCGSQFCW-QMMMGPOBSA-N 0 1 294.609 3.632 20 0 CHADMN CCC1(CC)CCN(Cc2c(Cl)c(C)nn2C)CC1 ZINC001205446801 1133577600 /nfs/dbraw/zinc/57/76/00/1133577600.db2.gz PJADDSNUNPLQKS-UHFFFAOYSA-N 0 1 283.847 3.784 20 0 CHADMN CNc1ccccc1C[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC001205446959 1133578368 /nfs/dbraw/zinc/57/83/68/1133578368.db2.gz VPTKMPRVXFRUHL-UHFFFAOYSA-N 0 1 280.415 3.903 20 0 CHADMN CCc1ccccc1CNCc1nc2cc(C)ccc2n1C ZINC001205477720 1133581530 /nfs/dbraw/zinc/58/15/30/1133581530.db2.gz HYAXMEXRAUDGPK-UHFFFAOYSA-N 0 1 293.414 3.734 20 0 CHADMN C[N@@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC001205593325 1133592577 /nfs/dbraw/zinc/59/25/77/1133592577.db2.gz BJBQVXCJCDSHOJ-UHFFFAOYSA-N 0 1 256.374 3.861 20 0 CHADMN Fc1ccc(-c2cccc3cncn32)c(Cl)c1F ZINC001205690296 1133603488 /nfs/dbraw/zinc/60/34/88/1133603488.db2.gz YBJIIJWZRSQAAU-UHFFFAOYSA-N 0 1 264.662 3.933 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1ccncc1C ZINC001205862482 1133624065 /nfs/dbraw/zinc/62/40/65/1133624065.db2.gz CSEOMOAMILNELQ-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN CC(C)C[C@@]1(C)CCC[N@@H+]1Cc1ccc([O-])c(F)c1 ZINC001205908620 1133628726 /nfs/dbraw/zinc/62/87/26/1133628726.db2.gz UWYJVGMDUKVZLA-MRXNPFEDSA-N 0 1 265.372 3.932 20 0 CHADMN CC(C)C[C@@]1(C)CCC[N@H+]1Cc1ccc([O-])c(F)c1 ZINC001205908620 1133628728 /nfs/dbraw/zinc/62/87/28/1133628728.db2.gz UWYJVGMDUKVZLA-MRXNPFEDSA-N 0 1 265.372 3.932 20 0 CHADMN Cc1c[nH]c2ncc(Nc3c(C)nc4ccc(F)cn43)cc12 ZINC001206033496 1133645121 /nfs/dbraw/zinc/64/51/21/1133645121.db2.gz QKJCTVPJCSKYIR-UHFFFAOYSA-N 0 1 295.321 3.710 20 0 CHADMN Cc1nc(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)co1 ZINC001206081933 1133654643 /nfs/dbraw/zinc/65/46/43/1133654643.db2.gz VLPNKGIVMRCRRN-HNNXBMFYSA-N 0 1 288.366 3.577 20 0 CHADMN Clc1ccc2cccnc2c1CN1CC2(CCC2)C1 ZINC001206186447 1133669157 /nfs/dbraw/zinc/66/91/57/1133669157.db2.gz JZMJHMULTFMHSR-UHFFFAOYSA-N 0 1 272.779 3.874 20 0 CHADMN Cc1c(Cl)ccc(-c2ccc3[nH]nnc3c2)c1F ZINC001206277832 1133681330 /nfs/dbraw/zinc/68/13/30/1133681330.db2.gz GMPQGSOHZZTZCI-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN Cc1c(Cl)ccc(-c2ccc3nn[nH]c3c2)c1F ZINC001206277832 1133681333 /nfs/dbraw/zinc/68/13/33/1133681333.db2.gz GMPQGSOHZZTZCI-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN Cc1cccc(CN(C)Cc2cccc(Cl)c2C)n1 ZINC001206300699 1133685950 /nfs/dbraw/zinc/68/59/50/1133685950.db2.gz ONRQEORAFYMVFY-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1CN1Cc2ccccc2NC(=O)C1 ZINC001206456803 1133704617 /nfs/dbraw/zinc/70/46/17/1133704617.db2.gz PXACDPYPSPGFAA-HUUCEWRRSA-N 0 1 286.419 3.657 20 0 CHADMN COc1ccc2c(c1)CN(CCc1ccc(Cl)cc1)C2 ZINC001206455927 1133704635 /nfs/dbraw/zinc/70/46/35/1133704635.db2.gz JHWOMVIZDKFDTH-UHFFFAOYSA-N 0 1 287.790 3.907 20 0 CHADMN CCCN(Cc1ccccc1)Cc1ccncc1OC ZINC001206473509 1133706535 /nfs/dbraw/zinc/70/65/35/1133706535.db2.gz QHUHDKMKMNQNAW-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN C[C@@H]1CN(Cc2cc3ccccc3n2C)CC2(CCCC2)O1 ZINC001206544894 1133715618 /nfs/dbraw/zinc/71/56/18/1133715618.db2.gz PXYIFXUQJJPLMR-OAHLLOKOSA-N 0 1 298.430 3.712 20 0 CHADMN Cc1ccc(CC2CN(Cc3ccc(O)c(F)c3)C2)cc1 ZINC001206695129 1133733798 /nfs/dbraw/zinc/73/37/98/1133733798.db2.gz YSRIBLXZBYUORP-UHFFFAOYSA-N 0 1 285.362 3.514 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C)cc2OC)cc1 ZINC001206749182 1133740909 /nfs/dbraw/zinc/74/09/09/1133740909.db2.gz OGKJKMYUXXKGIQ-UHFFFAOYSA-N 0 1 285.387 3.644 20 0 CHADMN Oc1cc(F)c(-c2ncnc3cc(F)c(F)cc32)cc1F ZINC001206756181 1133741791 /nfs/dbraw/zinc/74/17/91/1133741791.db2.gz VXRJYHYSSNUWRU-UHFFFAOYSA-N 0 1 294.207 3.559 20 0 CHADMN Oc1cc(F)c(-c2cc3ccsc3cn2)cc1F ZINC001206762034 1133742997 /nfs/dbraw/zinc/74/29/97/1133742997.db2.gz USYOLFBTDLMNMQ-UHFFFAOYSA-N 0 1 263.268 3.947 20 0 CHADMN Oc1cc(F)c(-c2ncnc3[nH]c4ccccc4c32)cc1F ZINC001206761940 1133743225 /nfs/dbraw/zinc/74/32/25/1133743225.db2.gz QJPDOOYEHXZEGE-UHFFFAOYSA-N 0 1 297.264 3.762 20 0 CHADMN Oc1cc(F)c(-c2cccc(Cc3ccncc3)n2)cc1F ZINC001206775831 1133746951 /nfs/dbraw/zinc/74/69/51/1133746951.db2.gz NHPZCDGYRKSSLO-UHFFFAOYSA-N 0 1 298.292 3.718 20 0 CHADMN CN(Cc1nc2ccc(Cl)cc2n1C)C[C@H]1CC1(C)C ZINC001206808660 1133751610 /nfs/dbraw/zinc/75/16/10/1133751610.db2.gz GVEMFLGLAXDNDN-LLVKDONJSA-N 0 1 291.826 3.705 20 0 CHADMN Cc1cc(CN2CCC[C@H](CCc3ccccc3)C2)no1 ZINC001206822435 1133752180 /nfs/dbraw/zinc/75/21/80/1133752180.db2.gz UAYUHDAOTZBMNA-QGZVFWFLSA-N 0 1 284.403 3.828 20 0 CHADMN COc1ccc(-c2cc(CN3CCCC[C@@H]3C)no2)cc1 ZINC001206823743 1133752506 /nfs/dbraw/zinc/75/25/06/1133752506.db2.gz QMZRYZPAXZZULO-ZDUSSCGKSA-N 0 1 286.375 3.725 20 0 CHADMN CC1CC(N(C)Cc2cc(-c3ccc(F)cc3)on2)C1 ZINC001206831881 1133754021 /nfs/dbraw/zinc/75/40/21/1133754021.db2.gz SUAGSXVIGMNUFU-UHFFFAOYSA-N 0 1 274.339 3.711 20 0 CHADMN COc1cncc(CN(Cc2cccc(C)c2C)C2CC2)c1 ZINC001206998643 1133759144 /nfs/dbraw/zinc/75/91/44/1133759144.db2.gz VJQMEBWGMXXLRC-UHFFFAOYSA-N 0 1 296.414 3.872 20 0 CHADMN Fc1cccnc1CN1CCC(c2ccccc2)CC1 ZINC001207029470 1133761492 /nfs/dbraw/zinc/76/14/92/1133761492.db2.gz RIIIQPRVCFTZID-UHFFFAOYSA-N 0 1 270.351 3.600 20 0 CHADMN CC(C)(C)C1CCN(Cc2ncc3ccccn32)CC1 ZINC001207048948 1133763358 /nfs/dbraw/zinc/76/33/58/1133763358.db2.gz LGFHGNNOOSBFKO-UHFFFAOYSA-N 0 1 271.408 3.592 20 0 CHADMN CCc1nccc(CN2CCCC[C@@H]2c2ccccc2)n1 ZINC001207082962 1133765295 /nfs/dbraw/zinc/76/52/95/1133765295.db2.gz RQTXDLZXDOSYOP-QGZVFWFLSA-N 0 1 281.403 3.766 20 0 CHADMN Fc1cnc(CN2CCC[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC001207097820 1133767272 /nfs/dbraw/zinc/76/72/72/1133767272.db2.gz ZUPJPKSUEPWZHA-NHYWBVRUSA-N 0 1 266.335 3.514 20 0 CHADMN Cc1cccc(OC2CCN(Cc3cncc(C)c3)CC2)c1 ZINC001207160773 1133772943 /nfs/dbraw/zinc/77/29/43/1133772943.db2.gz JJAVAYFTFKLRJB-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN Cc1nc2c(o1)CCN(CC[C@@H]1CC=C(C)C1(C)C)C2 ZINC001207276564 1133785173 /nfs/dbraw/zinc/78/51/73/1133785173.db2.gz ZZZLPQGHNRQFET-AWEZNQCLSA-N 0 1 274.408 3.724 20 0 CHADMN CC1=CC[C@@H](CCN2Cc3ccncc3C2)C1(C)C ZINC001207280914 1133786891 /nfs/dbraw/zinc/78/68/91/1133786891.db2.gz TYWWFUZYZXOHBO-INIZCTEOSA-N 0 1 256.393 3.780 20 0 CHADMN Clc1cccc(CCN2CCC[C@@H]2c2cnccn2)c1 ZINC001207422937 1133799532 /nfs/dbraw/zinc/79/95/32/1133799532.db2.gz OIMGDQXHPRZSPI-MRXNPFEDSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1cc([C@H]2CCCN2CCCc2ccccc2F)no1 ZINC001207489893 1133807973 /nfs/dbraw/zinc/80/79/73/1133807973.db2.gz IPNBBXWPVBHEPR-QGZVFWFLSA-N 0 1 288.366 3.892 20 0 CHADMN Cc1cccc2c1CN(CCc1ccccc1F)C2 ZINC001207497531 1133810184 /nfs/dbraw/zinc/81/01/84/1133810184.db2.gz PLOYIRMGUZGBJL-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN C[C@H](CCCC(C)(C)O)CCN1CCn2cccc2[C@@H]1C ZINC001207679221 1133837918 /nfs/dbraw/zinc/83/79/18/1133837918.db2.gz WIISATOOCXBLGM-CVEARBPZSA-N 0 1 292.467 3.832 20 0 CHADMN C[C@@H]1CCC[C@@H](CN2CC(Oc3ccccc3)C2)C1 ZINC001207865333 1133854599 /nfs/dbraw/zinc/85/45/99/1133854599.db2.gz MOWSOWRFBZGBJL-HUUCEWRRSA-N 0 1 259.393 3.576 20 0 CHADMN Cc1cc2c(cn1)CN(C[C@@H](C)c1ccccc1)C2 ZINC001207911929 1133860908 /nfs/dbraw/zinc/86/09/08/1133860908.db2.gz LMBCLZGLUUDTLO-CYBMUJFWSA-N 0 1 252.361 3.509 20 0 CHADMN CC(C)c1ccc(C[C@@H](C)CN2CCn3nccc3C2)cc1 ZINC001207937290 1133866122 /nfs/dbraw/zinc/86/61/22/1133866122.db2.gz PTHUKKOQQBKONH-MRXNPFEDSA-N 0 1 297.446 3.701 20 0 CHADMN Cc1ccc(CCCN2C[C@H](C)OC[C@@H]2c2ccccc2)o1 ZINC001207949606 1133867853 /nfs/dbraw/zinc/86/78/53/1133867853.db2.gz KMJMMJYOTXKPFZ-QFBILLFUSA-N 0 1 299.414 3.983 20 0 CHADMN CC(C)=CCCC1=CC[C@@H](CN2CCC23COC3)CC1 ZINC001207940685 1133869098 /nfs/dbraw/zinc/86/90/98/1133869098.db2.gz NJZXDURNIIFDJL-QGZVFWFLSA-N 0 1 275.436 3.934 20 0 CHADMN C[C@@H](C(=O)OC(C)(C)C)N(C)CCCC1CCCC1 ZINC001208095339 1133877708 /nfs/dbraw/zinc/87/77/08/1133877708.db2.gz WPRJEKZQVFFELN-ZDUSSCGKSA-N 0 1 269.429 3.619 20 0 CHADMN CC/C=C\CCCN1CCOC[C@@H]1c1ccccc1 ZINC001208134939 1133882312 /nfs/dbraw/zinc/88/23/12/1133882312.db2.gz STJNNLQMLQTJET-CWIOURORSA-N 0 1 259.393 3.806 20 0 CHADMN Cc1ccc([C@H](C)CCN2CCC[C@@H]2c2ncccn2)o1 ZINC001208159194 1133890365 /nfs/dbraw/zinc/89/03/65/1133890365.db2.gz AMFDDAIQIDHEDB-UKRRQHHQSA-N 0 1 285.391 3.709 20 0 CHADMN CC/C=C\CCCCCN1CCC(=O)[C@@H](F)CC1 ZINC001208190287 1133902310 /nfs/dbraw/zinc/90/23/10/1133902310.db2.gz MWPWRVSUBLHHSX-NQHOJNORSA-N 0 1 255.377 3.516 20 0 CHADMN CN(CCc1cccc(F)c1)Cc1cnc(Cl)s1 ZINC001208195606 1133903812 /nfs/dbraw/zinc/90/38/12/1133903812.db2.gz JSLQUUMFYHJZRN-UHFFFAOYSA-N 0 1 284.787 3.610 20 0 CHADMN Cc1ccc(CNCc2cccc(O)c2)c(OCC2CC2)c1 ZINC000088745636 1133908258 /nfs/dbraw/zinc/90/82/58/1133908258.db2.gz AJBGIWUYQVILBB-UHFFFAOYSA-N 0 1 297.398 3.779 20 0 CHADMN Cc1cc(CN(CCC2CC2)Cc2ccccc2)on1 ZINC001208688644 1133926896 /nfs/dbraw/zinc/92/68/96/1133926896.db2.gz RTFHTELPMQXEFV-UHFFFAOYSA-N 0 1 270.376 3.785 20 0 CHADMN CC(C)CCC[N@H+]1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001208736192 1133937647 /nfs/dbraw/zinc/93/76/47/1133937647.db2.gz FEYSEVWXFOSRJV-KRWDZBQOSA-N 0 1 279.399 3.809 20 0 CHADMN CC(C)CCCN1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001208736192 1133937649 /nfs/dbraw/zinc/93/76/49/1133937649.db2.gz FEYSEVWXFOSRJV-KRWDZBQOSA-N 0 1 279.399 3.809 20 0 CHADMN CN1CC=C(Nc2cccc(C(=O)c3ccccc3)c2)CC1 ZINC001208843420 1133952029 /nfs/dbraw/zinc/95/20/29/1133952029.db2.gz BXJAKVFFVFQVIY-UHFFFAOYSA-N 0 1 292.382 3.549 20 0 CHADMN Fc1ccc([C@H]2CSCCN2C[C@H]2CCC=CO2)cc1 ZINC001208880541 1133957074 /nfs/dbraw/zinc/95/70/74/1133957074.db2.gz NIMQAYFKDYOIHQ-HZPDHXFCSA-N 0 1 293.407 3.608 20 0 CHADMN Fc1cccc(F)c1[C@@H]1CCCN1C[C@@H]1CCC=CO1 ZINC001208883374 1133958141 /nfs/dbraw/zinc/95/81/41/1133958141.db2.gz VDGHVWPANUGCKY-WFASDCNBSA-N 0 1 279.330 3.794 20 0 CHADMN COC[C@@H]1CCCN1CCc1c(Cl)cccc1Cl ZINC001209104823 1133976172 /nfs/dbraw/zinc/97/61/72/1133976172.db2.gz HWNJYIMVYDMOBS-NSHDSACASA-N 0 1 288.218 3.647 20 0 CHADMN F[C@@H]1C[C@@H]2C[C@H]1CN2CCc1c(Cl)cccc1Cl ZINC001209111619 1133976275 /nfs/dbraw/zinc/97/62/75/1133976275.db2.gz KVBNDHQRFZUUIU-PKFCDNJMSA-N 0 1 288.193 3.968 20 0 CHADMN Fc1cc(F)cc(CCN2CCc3ccccc3C2)c1 ZINC001209128432 1133978882 /nfs/dbraw/zinc/97/88/82/1133978882.db2.gz MUOBELSAYMPHRM-UHFFFAOYSA-N 0 1 273.326 3.566 20 0 CHADMN C[C@@H]1C[C@@H]1CN1CCO[C@](C)(c2ccc(Cl)cc2)C1 ZINC001209420154 1134015043 /nfs/dbraw/zinc/01/50/43/1134015043.db2.gz BXBSCYSNCMXHND-IOASZLSFSA-N 0 1 279.811 3.543 20 0 CHADMN Cc1ccc2[nH]cc(CN3CCC[C@@](C)(F)C3)c2c1 ZINC001209491836 1134028145 /nfs/dbraw/zinc/02/81/45/1134028145.db2.gz YUTMOYREOPMUMD-MRXNPFEDSA-N 0 1 260.356 3.800 20 0 CHADMN Cc1ccc2[nH]cc(CN3CCC[C@](C)(F)C3)c2c1 ZINC001209491832 1134028164 /nfs/dbraw/zinc/02/81/64/1134028164.db2.gz YUTMOYREOPMUMD-INIZCTEOSA-N 0 1 260.356 3.800 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1cc2c(cn1)OCCC2 ZINC001209506294 1134029856 /nfs/dbraw/zinc/02/98/56/1134029856.db2.gz OHIUJRGLEKBWED-UHFFFAOYSA-N 0 1 296.414 3.737 20 0 CHADMN Cc1ccc2[nH]cc(CN3CCC[C@H]3c3cnccn3)c2c1 ZINC001209498102 1134030453 /nfs/dbraw/zinc/03/04/53/1134030453.db2.gz ZKIIGGRZNUBKIW-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1ccc(CN(C)Cc2c3ccccc3nn2C)cc1 ZINC001209535440 1134035318 /nfs/dbraw/zinc/03/53/18/1134035318.db2.gz CFEPOJMZDACYSC-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN Cn1nc2ccccc2c1CN1CC[C@@H]1c1ccccc1 ZINC001209542661 1134036141 /nfs/dbraw/zinc/03/61/41/1134036141.db2.gz ZNZIYTXBGVPGTR-QGZVFWFLSA-N 0 1 277.371 3.520 20 0 CHADMN Cc1[nH]c2ncccc2c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001209591233 1134038324 /nfs/dbraw/zinc/03/83/24/1134038324.db2.gz QRAYGNCKRYYYDY-CZUORRHYSA-N 0 1 269.392 3.636 20 0 CHADMN Clc1cnc2[nH]cc(CN3CCCCC34CC4)c2c1 ZINC001209601031 1134040234 /nfs/dbraw/zinc/04/02/34/1134040234.db2.gz VDEQWYCWZLCPII-UHFFFAOYSA-N 0 1 275.783 3.735 20 0 CHADMN Cc1cc(Cl)ncc1CN(C)Cc1cccs1 ZINC001209636798 1134044959 /nfs/dbraw/zinc/04/49/59/1134044959.db2.gz KOBPNYUEROOVJY-UHFFFAOYSA-N 0 1 266.797 3.737 20 0 CHADMN COc1cc(CN2C[C@@H]3CCC[C@@H]3C2)c(F)cc1Cl ZINC001209662062 1134048386 /nfs/dbraw/zinc/04/83/86/1134048386.db2.gz JFJUEFHRLBWRRN-PHIMTYICSA-N 0 1 283.774 3.720 20 0 CHADMN Cc1ncccc1C[N@@H+](C)Cc1c[nH]c2cc(F)ccc12 ZINC001209696171 1134051244 /nfs/dbraw/zinc/05/12/44/1134051244.db2.gz RIKCQZGLNXZPKJ-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN Cc1ncccc1CN(C)Cc1c[nH]c2cc(F)ccc12 ZINC001209696171 1134051249 /nfs/dbraw/zinc/05/12/49/1134051249.db2.gz RIKCQZGLNXZPKJ-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN C[C@@H]1CCN(Cc2[nH]nc3ccc(Cl)cc32)CC1(F)F ZINC001209752314 1134057676 /nfs/dbraw/zinc/05/76/76/1134057676.db2.gz GUPSRAFLXLMZHH-SECBINFHSA-N 0 1 299.752 3.693 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)CC1 ZINC001209754136 1134059521 /nfs/dbraw/zinc/05/95/21/1134059521.db2.gz WWVFHCOYDSXEAU-LLVKDONJSA-N 0 1 277.799 3.838 20 0 CHADMN C[C@@H]1CCC[N@H+](Cc2n[nH]c3ccc(Cl)cc32)CC1 ZINC001209754136 1134059513 /nfs/dbraw/zinc/05/95/13/1134059513.db2.gz WWVFHCOYDSXEAU-LLVKDONJSA-N 0 1 277.799 3.838 20 0 CHADMN Cc1cc(Nc2ccc3nc[nH]c3c2)n(C(C)(C)C)n1 ZINC001209843533 1134078268 /nfs/dbraw/zinc/07/82/68/1134078268.db2.gz ZPACQGQADXAAEU-UHFFFAOYSA-N 0 1 269.352 3.566 20 0 CHADMN c1nc2ccc(Nc3cncc(N4CCCCC4)c3)cc2[nH]1 ZINC001209847169 1134080423 /nfs/dbraw/zinc/08/04/23/1134080423.db2.gz BKNQPUJIOQXZNS-UHFFFAOYSA-N 0 1 293.374 3.692 20 0 CHADMN COc1cc(Nc2ccc3nc[nH]c3c2)ccc1C(C)=O ZINC001209847677 1134080500 /nfs/dbraw/zinc/08/05/00/1134080500.db2.gz DTNRSAVXRICUSE-UHFFFAOYSA-N 0 1 281.315 3.518 20 0 CHADMN Cc1cc(=O)oc2cc(Nc3ccc4nc[nH]c4c3)ccc12 ZINC001209847319 1134081615 /nfs/dbraw/zinc/08/16/15/1134081615.db2.gz BZPWQMPGCCXOCG-UHFFFAOYSA-N 0 1 291.310 3.721 20 0 CHADMN CCOc1cccc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209848145 1134082059 /nfs/dbraw/zinc/08/20/59/1134082059.db2.gz GITFLIRQLNGMQP-UHFFFAOYSA-N 0 1 253.305 3.705 20 0 CHADMN c1nc2ccc(Nc3ccc4ccncc4c3)cc2[nH]1 ZINC001209846699 1134082250 /nfs/dbraw/zinc/08/22/50/1134082250.db2.gz IZXNEPLKZSFTAZ-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN c1nc2ccc(Nc3cccc4ncsc43)cc2[nH]1 ZINC001209847088 1134082446 /nfs/dbraw/zinc/08/24/46/1134082446.db2.gz NYGIXSSASOBPCV-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN Nc1ccc(Nc2ccc3nc[nH]c3c2)c(Cl)c1 ZINC001209849228 1134085249 /nfs/dbraw/zinc/08/52/49/1134085249.db2.gz VEZIBBMXCGGQSV-UHFFFAOYSA-N 0 1 258.712 3.542 20 0 CHADMN Cc1ccc2nc(Nc3cnc(N)cc3C)ccc2c1 ZINC001209962057 1134110380 /nfs/dbraw/zinc/11/03/80/1134110380.db2.gz PYFSWZHTSSWQIB-UHFFFAOYSA-N 0 1 264.332 3.572 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc(-c2ccccc2)n1 ZINC001209964897 1134110975 /nfs/dbraw/zinc/11/09/75/1134110975.db2.gz GOLHZWXEJCAMOI-UHFFFAOYSA-N 0 1 276.343 3.778 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc2sccc21 ZINC001209968535 1134111600 /nfs/dbraw/zinc/11/16/00/1134111600.db2.gz CQONMNHZKVSVKX-UHFFFAOYSA-N 0 1 255.346 3.931 20 0 CHADMN Cc1cc(N)ncc1Nc1cnc(CC(C)C)cc1C ZINC001209966072 1134111717 /nfs/dbraw/zinc/11/17/17/1134111717.db2.gz RJCYQDWKAGNHJH-UHFFFAOYSA-N 0 1 270.380 3.618 20 0 CHADMN Cc1cc(N)ncc1Nc1c(C)cc(Cl)cc1C ZINC001209969859 1134112370 /nfs/dbraw/zinc/11/23/70/1134112370.db2.gz SAKJUNNQWFJWEO-UHFFFAOYSA-N 0 1 261.756 3.986 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(Cl)c(F)cc1F ZINC001209969558 1134112396 /nfs/dbraw/zinc/11/23/96/1134112396.db2.gz LSHJATUEAMQOEX-UHFFFAOYSA-N 0 1 269.682 3.647 20 0 CHADMN CCOc1ccc(Nc2cnc(N)cc2C)cc1OCC ZINC001209970057 1134112745 /nfs/dbraw/zinc/11/27/45/1134112745.db2.gz SEHIUZRMYXUMTO-UHFFFAOYSA-N 0 1 287.363 3.513 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccnc1Cl ZINC001210100097 1134145592 /nfs/dbraw/zinc/14/55/92/1134145592.db2.gz DEZFENKOIZLSHY-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1c[nH]c(=O)c2ccccc12 ZINC001210100020 1134145805 /nfs/dbraw/zinc/14/58/05/1134145805.db2.gz CXGNTYRXRKHMCT-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cnccc1Cl ZINC001210100363 1134145890 /nfs/dbraw/zinc/14/58/90/1134145890.db2.gz QITVUEBMXJCEPZ-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN COc1cc(F)c(Nc2cc3cn[nH]c3cc2C)c(F)c1 ZINC001210103522 1134146548 /nfs/dbraw/zinc/14/65/48/1134146548.db2.gz VWWBEYYGAWMXFA-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2c(c1)OCCCO2 ZINC001210102612 1134146725 /nfs/dbraw/zinc/14/67/25/1134146725.db2.gz PRIQBCHYZVAZBI-UHFFFAOYSA-N 0 1 295.342 3.776 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cncc(OC(F)F)c1 ZINC001210103256 1134147243 /nfs/dbraw/zinc/14/72/43/1134147243.db2.gz WZWYNBQAGBSLCT-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc([C@@H](C)O)cc1 ZINC001210101880 1134147282 /nfs/dbraw/zinc/14/72/82/1134147282.db2.gz IEXKMCJGGVJMOI-LLVKDONJSA-N 0 1 267.332 3.668 20 0 CHADMN COc1c(F)cc(F)cc1Nc1cc2cn[nH]c2cc1C ZINC001210105061 1134147562 /nfs/dbraw/zinc/14/75/62/1134147562.db2.gz JNCGTRCQZJZNEK-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2c1CCO2 ZINC001210105088 1134147752 /nfs/dbraw/zinc/14/77/52/1134147752.db2.gz KLYHVFWZDXQDTG-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2c1OCCC2 ZINC001210105276 1134148185 /nfs/dbraw/zinc/14/81/85/1134148185.db2.gz UGLNHVZENRLSJG-UHFFFAOYSA-N 0 1 279.343 3.940 20 0 CHADMN COc1ccc2nc(N)n(C3=CCC(C)(C)CC3)c2c1 ZINC001210167309 1134159314 /nfs/dbraw/zinc/15/93/14/1134159314.db2.gz OOFHIDREDJXBNC-UHFFFAOYSA-N 0 1 271.364 3.678 20 0 CHADMN NC(=O)c1ccc(F)cc1N=C1CCCCCCC1 ZINC001210448254 1134216466 /nfs/dbraw/zinc/21/64/66/1134216466.db2.gz FTRKBMYAYKRBNO-UHFFFAOYSA-N 0 1 262.328 3.575 20 0 CHADMN [O-]c1c(F)c(F)ccc1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210711900 1134279149 /nfs/dbraw/zinc/27/91/49/1134279149.db2.gz AWXREFHUDPPYQC-LBPRGKRZSA-N 0 1 294.345 3.615 20 0 CHADMN Cc1cc(Nc2cc(F)c(N)c(F)c2)c2ccccc2n1 ZINC001210904013 1134324162 /nfs/dbraw/zinc/32/41/62/1134324162.db2.gz JVUHILIJUPTOOT-UHFFFAOYSA-N 0 1 285.297 3.569 20 0 CHADMN Cc1c[nH+]ccc1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210923632 1134327867 /nfs/dbraw/zinc/32/78/67/1134327867.db2.gz WZRGICDVQKKEHU-UHFFFAOYSA-N 0 1 269.131 3.568 20 0 CHADMN Oc1c(Cl)cc(Nc2cscn2)cc1Cl ZINC001210926226 1134328962 /nfs/dbraw/zinc/32/89/62/1134328962.db2.gz GZMYWSVHMNEKSL-UHFFFAOYSA-N 0 1 261.133 3.899 20 0 CHADMN CCc1cc(Nc2cc(Cl)c([O-])c(Cl)c2)cc[nH+]1 ZINC001210926370 1134330054 /nfs/dbraw/zinc/33/00/54/1134330054.db2.gz JVQDFHQAVGVHNR-UHFFFAOYSA-N 0 1 283.158 3.822 20 0 CHADMN C[C@@H](O)c1ccnc(Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC001210927479 1134330215 /nfs/dbraw/zinc/33/02/15/1134330215.db2.gz QGQMUYPPNHCOSV-SSDOTTSWSA-N 0 1 299.157 3.891 20 0 CHADMN O=C1CCCc2ccc(Nc3ccnc(Cl)c3O)cc21 ZINC001210933323 1134331270 /nfs/dbraw/zinc/33/12/70/1134331270.db2.gz UDXZEZCDRDMZEY-UHFFFAOYSA-N 0 1 288.734 3.703 20 0 CHADMN C=C(Nc1cncc(OC(F)F)c1)c1ccccc1 ZINC001210985177 1134342353 /nfs/dbraw/zinc/34/23/53/1134342353.db2.gz JDLVONFUENAJPB-UHFFFAOYSA-N 0 1 262.259 3.766 20 0 CHADMN CC(=Nc1ccc2c(c1)nn(C)c2C)c1ccccc1 ZINC001210986920 1134342917 /nfs/dbraw/zinc/34/29/17/1134342917.db2.gz DIVUCHUVROAJPO-UHFFFAOYSA-N 0 1 263.344 3.965 20 0 CHADMN Cn1cncc1Nc1cnc2ccc(C(F)(F)F)cc2c1 ZINC001211247419 1134397954 /nfs/dbraw/zinc/39/79/54/1134397954.db2.gz ZLTQDBSJLWOSKE-UHFFFAOYSA-N 0 1 292.264 3.731 20 0 CHADMN Cn1cncc1Nc1ccc(Cl)cc1C(F)(F)F ZINC001211249327 1134398871 /nfs/dbraw/zinc/39/88/71/1134398871.db2.gz OXZLLOFPTKBRRZ-UHFFFAOYSA-N 0 1 275.661 3.836 20 0 CHADMN COc1ccc(Oc2ccc(Nc3cncn3C)cc2)cc1 ZINC001211249797 1134399892 /nfs/dbraw/zinc/39/98/92/1134399892.db2.gz BKZDJPZMQMTUNX-UHFFFAOYSA-N 0 1 295.342 3.965 20 0 CHADMN Cn1cncc1Nc1cc(Cl)c(Cl)cc1F ZINC001211251997 1134400281 /nfs/dbraw/zinc/40/02/81/1134400281.db2.gz UUHGWZSFIFOPKT-UHFFFAOYSA-N 0 1 260.099 3.610 20 0 CHADMN Cn1cncc1Nc1ccc(C(F)(F)F)c2ncccc12 ZINC001211252150 1134400289 /nfs/dbraw/zinc/40/02/89/1134400289.db2.gz BQRWXCHTLAMXRF-UHFFFAOYSA-N 0 1 292.264 3.731 20 0 CHADMN COc1cnccc1Nc1snc(-c2ccccc2)c1C ZINC001211260068 1134400365 /nfs/dbraw/zinc/40/03/65/1134400365.db2.gz RVVXVKVKZXNULM-UHFFFAOYSA-N 0 1 297.383 3.688 20 0 CHADMN Cc1cc(Nc2cncn2C)c(C)cc1Br ZINC001211249776 1134400443 /nfs/dbraw/zinc/40/04/43/1134400443.db2.gz AYYDIASZEZBRDJ-UHFFFAOYSA-N 0 1 280.169 3.543 20 0 CHADMN Cc1ccc(-c2cc(F)c(O)cc2F)c2nsnc21 ZINC001211352981 1134411331 /nfs/dbraw/zinc/41/13/31/1134411331.db2.gz PXBOTNWYWIJDAI-UHFFFAOYSA-N 0 1 278.283 3.651 20 0 CHADMN COC(=O)c1c(C)cc(F)cc1-c1cc(F)c(O)cc1F ZINC001211352205 1134411652 /nfs/dbraw/zinc/41/16/52/1134411652.db2.gz IUOOSBTXVQPWCN-UHFFFAOYSA-N 0 1 296.244 3.572 20 0 CHADMN Cc1nc2cccc(-c3cc(F)c(O)cc3F)c2o1 ZINC001211360236 1134412505 /nfs/dbraw/zinc/41/25/05/1134412505.db2.gz PUFLCSDZPBDMIS-UHFFFAOYSA-N 0 1 261.227 3.787 20 0 CHADMN Oc1cc(F)c(-c2cc(C3OCCO3)ccc2F)cc1F ZINC001211359470 1134412756 /nfs/dbraw/zinc/41/27/56/1134412756.db2.gz HXUZVPCTEPGFST-UHFFFAOYSA-N 0 1 296.244 3.522 20 0 CHADMN [NH3+]C1(c2ccccc2-c2cc(F)c([O-])cc2F)CCC1 ZINC001211359151 1134412830 /nfs/dbraw/zinc/41/28/30/1134412830.db2.gz BVUISCCYJCYFBT-UHFFFAOYSA-N 0 1 275.298 3.675 20 0 CHADMN COc1cnc(Cl)c(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213071165 1134418987 /nfs/dbraw/zinc/41/89/87/1134418987.db2.gz CKKMYLMHTMOFCS-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN COc1cnc(Cl)c(Nc2ccc3nc(C)[nH]c3c2)c1 ZINC001213071165 1134418988 /nfs/dbraw/zinc/41/89/88/1134418988.db2.gz CKKMYLMHTMOFCS-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1nc2cc(Nc3ccc4oncc4c3)ccc2[nH]1 ZINC001213075157 1134423228 /nfs/dbraw/zinc/42/32/28/1134423228.db2.gz GTGJFIQBJQPCLO-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1nc2cc(Nc3ccc4cncnc4c3)ccc2[nH]1 ZINC001213075654 1134423349 /nfs/dbraw/zinc/42/33/49/1134423349.db2.gz YGBATVUUWFPINU-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1nc2cc(Nc3ccc(F)c(F)c3O)ccc2[nH]1 ZINC001213076029 1134423665 /nfs/dbraw/zinc/42/36/65/1134423665.db2.gz BJONHPKCCMVSOH-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccccc3N3CCCC3)c2c1 ZINC001213602073 1134467881 /nfs/dbraw/zinc/46/78/81/1134467881.db2.gz UGFMTACLCJHFML-UHFFFAOYSA-N 0 1 292.386 3.516 20 0 CHADMN Cc1cc(Nc2ccc(Cl)cc2N)n(-c2ccncc2)n1 ZINC001213650503 1134473561 /nfs/dbraw/zinc/47/35/61/1134473561.db2.gz DSKBXVNLKKPKPG-UHFFFAOYSA-N 0 1 299.765 3.555 20 0 CHADMN COc1cc(Nc2ccc3[nH]c(C)cc3c2)ncc1C ZINC001213791414 1134484783 /nfs/dbraw/zinc/48/47/83/1134484783.db2.gz BGMSNEJSLROWBG-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN COc1cccc(C2CC2)c1-n1c(N)nc2ccc(C)cc21 ZINC001213811945 1134486913 /nfs/dbraw/zinc/48/69/13/1134486913.db2.gz FEAACKHCSCLMPY-UHFFFAOYSA-N 0 1 293.370 3.802 20 0 CHADMN CCOc1cc(Nc2cc(OC)c(C)cn2)ccc1C ZINC001214325794 1134528813 /nfs/dbraw/zinc/52/88/13/1134528813.db2.gz RZJWFHVJDVPOBX-UHFFFAOYSA-N 0 1 272.348 3.849 20 0 CHADMN Cc1ccc(Nc2cc(=O)[nH]c(Cl)n2)cc1OC(C)C ZINC001214332578 1134530578 /nfs/dbraw/zinc/53/05/78/1134530578.db2.gz WFCOQIXFOPECDA-UHFFFAOYSA-N 0 1 293.754 3.675 20 0 CHADMN COCOc1ccc(C)c(Nc2cnc3cccc(C)n23)c1 ZINC001214361307 1134533069 /nfs/dbraw/zinc/53/30/69/1134533069.db2.gz BPCPQXLKESFYFG-UHFFFAOYSA-N 0 1 297.358 3.677 20 0 CHADMN Cc1nc(Nc2ccc(Cl)c(O)c2F)cs1 ZINC001214798424 1134572308 /nfs/dbraw/zinc/57/23/08/1134572308.db2.gz QLJLBBQYCVCSEH-UHFFFAOYSA-N 0 1 258.705 3.693 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccnc(Cl)c2)c1F ZINC001214791032 1134573863 /nfs/dbraw/zinc/57/38/63/1134573863.db2.gz IAFXJSPEUVHNII-UHFFFAOYSA-N 0 1 273.094 3.977 20 0 CHADMN Nc1cc(F)cc(F)c1Nc1ccc(Cl)c(O)c1F ZINC001214798915 1134574659 /nfs/dbraw/zinc/57/46/59/1134574659.db2.gz BBPXHSQFHWSLQF-UHFFFAOYSA-N 0 1 288.656 3.789 20 0 CHADMN Cn1cc2cccc(Nc3ccc(Cl)c(O)c3F)c2n1 ZINC001214801868 1134575090 /nfs/dbraw/zinc/57/50/90/1134575090.db2.gz RYXJAOXVTLOIDP-UHFFFAOYSA-N 0 1 291.713 3.815 20 0 CHADMN Oc1ccc(F)cc1Nc1ccc(Cl)c(O)c1F ZINC001214798967 1134575533 /nfs/dbraw/zinc/57/55/33/1134575533.db2.gz DTILFBRSAADZQE-UHFFFAOYSA-N 0 1 271.650 3.773 20 0 CHADMN COCOc1cccc(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214804104 1134575569 /nfs/dbraw/zinc/57/55/69/1134575569.db2.gz NOQYCSFRDYMXMP-UHFFFAOYSA-N 0 1 297.713 3.911 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000401245420 1134607139 /nfs/dbraw/zinc/60/71/39/1134607139.db2.gz DFMLOEZZPQFNKH-INMHGKMJSA-N 0 1 281.440 3.636 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000401245418 1134607421 /nfs/dbraw/zinc/60/74/21/1134607421.db2.gz DFMLOEZZPQFNKH-BFYDXBDKSA-N 0 1 281.440 3.636 20 0 CHADMN CC[C@H]1CCCC[C@H]1C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000401465578 1134613993 /nfs/dbraw/zinc/61/39/93/1134613993.db2.gz XFFIIJBKAQEQDX-KBPBESRZSA-N 0 1 267.413 3.532 20 0 CHADMN CCOc1c(F)c(F)ccc1Nc1ccc2nccn2c1 ZINC001215411128 1134624845 /nfs/dbraw/zinc/62/48/45/1134624845.db2.gz LXBOPBHNNMYKIQ-UHFFFAOYSA-N 0 1 289.285 3.755 20 0 CHADMN Fc1cc(Nc2cncc3ccccc32)cc2[nH]ncc21 ZINC001215552679 1134639622 /nfs/dbraw/zinc/63/96/22/1134639622.db2.gz YYFULAGLHLIIGQ-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Cc1cc2c(ncnc2Nc2cc3[nH]ncc3c(F)c2)s1 ZINC001215552443 1134639976 /nfs/dbraw/zinc/63/99/76/1134639976.db2.gz MYBLCHLVEOQNJD-UHFFFAOYSA-N 0 1 299.334 3.759 20 0 CHADMN Fc1cc(Nc2nc(Cl)cnc2Cl)cc2n[nH]cc21 ZINC001215553689 1134640009 /nfs/dbraw/zinc/64/00/09/1134640009.db2.gz CBACFNFRYYFFOA-UHFFFAOYSA-N 0 1 298.108 3.542 20 0 CHADMN Fc1cc(Nc2cccc3cnccc32)cc2[nH]ncc21 ZINC001215555202 1134641085 /nfs/dbraw/zinc/64/10/85/1134641085.db2.gz QDUNQQWRARWDRE-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Fc1cc(Nc2ccc3cccnc3c2)cc2[nH]ncc21 ZINC001215555486 1134641163 /nfs/dbraw/zinc/64/11/63/1134641163.db2.gz YIQZFUUWADSPJJ-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Fc1cc(Nc2ccc(-n3cccn3)cc2)cc2[nH]ncc21 ZINC001215555205 1134641331 /nfs/dbraw/zinc/64/13/31/1134641331.db2.gz QHPPGJCFVCAURZ-UHFFFAOYSA-N 0 1 293.305 3.631 20 0 CHADMN Cc1cc(F)c(Nc2cc3[nH]ncc3c(F)c2)cc1O ZINC001215557141 1134641916 /nfs/dbraw/zinc/64/19/16/1134641916.db2.gz RPZBFTOULPEXLS-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN COCc1ccc(Nc2cc3[nH]ncc3c(F)c2)cc1 ZINC001215556973 1134642117 /nfs/dbraw/zinc/64/21/17/1134642117.db2.gz NKPGAJZMILJEOA-UHFFFAOYSA-N 0 1 271.295 3.592 20 0 CHADMN COc1cc(Nc2cc3[nH]ncc3c(F)c2)cc(F)c1F ZINC001215558767 1134642498 /nfs/dbraw/zinc/64/24/98/1134642498.db2.gz WFCRODYYTVEVPV-UHFFFAOYSA-N 0 1 293.248 3.732 20 0 CHADMN Cc1cc(F)cc(Nc2cc3[nH]ncc3c(F)c2)c1O ZINC001215556862 1134642808 /nfs/dbraw/zinc/64/28/08/1134642808.db2.gz KVRSAMWFLXCHNS-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1ccc(Nc2c[nH]c(=O)c3ccccc23)c2cn[nH]c21 ZINC001215755042 1134674835 /nfs/dbraw/zinc/67/48/35/1134674835.db2.gz FXYWERVIWKBOOJ-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN CSc1cc(Nc2ccc(C)c3[nH]ncc32)ccn1 ZINC001215756602 1134674913 /nfs/dbraw/zinc/67/49/13/1134674913.db2.gz CQHXBRGMFLOXNQ-UHFFFAOYSA-N 0 1 270.361 3.732 20 0 CHADMN Cc1ccc(Nc2scnc2C2CC2)c2cn[nH]c21 ZINC001215757444 1134675973 /nfs/dbraw/zinc/67/59/73/1134675973.db2.gz UIPVWJVHPKTKJI-UHFFFAOYSA-N 0 1 270.361 3.949 20 0 CHADMN Cc1ccc(Nc2cccc3c2CCC3=O)c2cn[nH]c21 ZINC001215757969 1134676526 /nfs/dbraw/zinc/67/65/26/1134676526.db2.gz BLWBELDVWUESIJ-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN COC(=O)c1ccc(F)cc1Nc1ccc(C)c2[nH]ncc21 ZINC001215759471 1134677141 /nfs/dbraw/zinc/67/71/41/1134677141.db2.gz LWFKGGBHOQDOJX-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1ccc(Nc2ccc3cnoc3c2)c2cn[nH]c21 ZINC001215759769 1134677305 /nfs/dbraw/zinc/67/73/05/1134677305.db2.gz URNAKOKSTCQCMH-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN COC(=O)c1ccc(Nc2ccc(C)c3[nH]ncc32)c(F)c1 ZINC001215758801 1134677638 /nfs/dbraw/zinc/67/76/38/1134677638.db2.gz YFYUNKQDQSSFIW-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1c(F)cccc1-c1noc(-c2ccc(O)c(F)c2)n1 ZINC001215792297 1134687035 /nfs/dbraw/zinc/68/70/35/1134687035.db2.gz NUNMMQYECXOMHY-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN CCc1nnc(Nc2c(F)ccc(SC)c2F)s1 ZINC001215837460 1134699367 /nfs/dbraw/zinc/69/93/67/1134699367.db2.gz RLQZFNPRGLHLND-UHFFFAOYSA-N 0 1 287.360 3.844 20 0 CHADMN Clc1cc2n[nH]cc2c(Nc2ccc3nccn3c2)c1 ZINC001215857561 1134704375 /nfs/dbraw/zinc/70/43/75/1134704375.db2.gz UFBHGSSGJNFHHU-UHFFFAOYSA-N 0 1 283.722 3.608 20 0 CHADMN Clc1cc2[nH]ncc2c(Nc2ccc3c(c2)OCC3)c1 ZINC001215861176 1134705712 /nfs/dbraw/zinc/70/57/12/1134705712.db2.gz YLAXPLWNIAXNCO-UHFFFAOYSA-N 0 1 285.734 3.895 20 0 CHADMN Cc1ccc(-c2noc(-c3cccc(F)c3O)n2)c(F)c1 ZINC001215862735 1134707060 /nfs/dbraw/zinc/70/70/60/1134707060.db2.gz BFZBEFNUXMIKLR-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN O[C@H]1CCc2ccc(Nc3cc(Cl)cc4[nH]ncc43)cc21 ZINC001215862163 1134707291 /nfs/dbraw/zinc/70/72/91/1134707291.db2.gz RLANOBVQXKQSJG-INIZCTEOSA-N 0 1 299.761 3.940 20 0 CHADMN CCOc1cc(C)ccc1Nc1ccnn1-c1ccncc1 ZINC001215876221 1134710553 /nfs/dbraw/zinc/71/05/53/1134710553.db2.gz YNEXFQPSQAEEIQ-UHFFFAOYSA-N 0 1 294.358 3.718 20 0 CHADMN O=c1cc(Nc2c(F)ccc(C3CC3)c2F)nc(Cl)[nH]1 ZINC001215991501 1134743528 /nfs/dbraw/zinc/74/35/28/1134743528.db2.gz NQWKRUYLRDTZDI-UHFFFAOYSA-N 0 1 297.692 3.735 20 0 CHADMN Cc1ncn(C)c1Nc1c(F)ccc(C2CC2)c1F ZINC001215993372 1134744490 /nfs/dbraw/zinc/74/44/90/1134744490.db2.gz PKCFCUWCCADWLR-UHFFFAOYSA-N 0 1 263.291 3.628 20 0 CHADMN COc1ccnc(Nc2ccc(OC)c(C(C)C)c2)c1 ZINC001216001187 1134747995 /nfs/dbraw/zinc/74/79/95/1134747995.db2.gz ZGOSSKPUEUGDDL-UHFFFAOYSA-N 0 1 272.348 3.966 20 0 CHADMN COc1ccc(Nc2c(C)ncn2C)cc1C(C)C ZINC001216000535 1134748120 /nfs/dbraw/zinc/74/81/20/1134748120.db2.gz OSLPGIAYUUAYKY-UHFFFAOYSA-N 0 1 259.353 3.604 20 0 CHADMN Cc1cccc2ncc(Nc3cc(F)cc(N(C)C)c3)n21 ZINC001216159554 1134791446 /nfs/dbraw/zinc/79/14/46/1134791446.db2.gz HCAQKGIEAJPDTK-UHFFFAOYSA-N 0 1 284.338 3.591 20 0 CHADMN Cc1cnc(Nc2cccc(CN(C)C)c2F)c(C)c1 ZINC001216227528 1134812521 /nfs/dbraw/zinc/81/25/21/1134812521.db2.gz BHULOPSUXPFGLE-UHFFFAOYSA-N 0 1 273.355 3.643 20 0 CHADMN COc1cc(C)ccc1Nc1cccc(CN(C)C)c1F ZINC001216230861 1134812788 /nfs/dbraw/zinc/81/27/88/1134812788.db2.gz GCMBFPAPYBBLLI-UHFFFAOYSA-N 0 1 288.366 3.948 20 0 CHADMN COc1ccc(Nc2cccc(CN(C)C)c2F)c(C)c1 ZINC001216228375 1134813393 /nfs/dbraw/zinc/81/33/93/1134813393.db2.gz CSPODVZTMSNSOT-UHFFFAOYSA-N 0 1 288.366 3.948 20 0 CHADMN Cc1cn2c(cccc2Nc2cccc(CN(C)C)c2F)n1 ZINC001216227185 1134813408 /nfs/dbraw/zinc/81/34/08/1134813408.db2.gz UGYYSPGIQPJUMJ-UHFFFAOYSA-N 0 1 298.365 3.587 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc(F)cc2F)c1F ZINC001216228906 1134813964 /nfs/dbraw/zinc/81/39/64/1134813964.db2.gz UFDKNSLMRLHBOQ-UHFFFAOYSA-N 0 1 280.293 3.909 20 0 CHADMN CN(C)Cc1cccc(Nc2cc(Cl)ccc2N)c1F ZINC001216231396 1134814129 /nfs/dbraw/zinc/81/41/29/1134814129.db2.gz IOXBBZGILZSPCG-UHFFFAOYSA-N 0 1 293.773 3.867 20 0 CHADMN COc1ccc(C)cc1Nc1cccc(CN(C)C)c1F ZINC001216230759 1134814472 /nfs/dbraw/zinc/81/44/72/1134814472.db2.gz BPVWJYSMHAZYCM-UHFFFAOYSA-N 0 1 288.366 3.948 20 0 CHADMN CN(C)Cc1cccc(Nc2cccc3nccnc32)c1F ZINC001216231348 1134814758 /nfs/dbraw/zinc/81/47/58/1134814758.db2.gz GZKZOKWUBQJTAY-UHFFFAOYSA-N 0 1 296.349 3.574 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc3ncoc3c2)c1F ZINC001216230884 1134815920 /nfs/dbraw/zinc/81/59/20/1134815920.db2.gz HFWFUAMIXLFZLB-UHFFFAOYSA-N 0 1 285.322 3.772 20 0 CHADMN CN(C)Cc1cccc(Nc2cccc3cnoc32)c1F ZINC001216232472 1134817085 /nfs/dbraw/zinc/81/70/85/1134817085.db2.gz WHNGTPJQGUNHSS-UHFFFAOYSA-N 0 1 285.322 3.772 20 0 CHADMN CSc1ncc(C)cc1Nc1noc(C(C)(C)C)n1 ZINC001216239913 1134820779 /nfs/dbraw/zinc/82/07/79/1134820779.db2.gz USYKEZVYMAORCP-UHFFFAOYSA-N 0 1 278.381 3.536 20 0 CHADMN Cc1cc(Nc2ccncc2)c(OC(C)C)cc1C ZINC001216378515 1134874824 /nfs/dbraw/zinc/87/48/24/1134874824.db2.gz FVEQOMWHUBOOHH-UHFFFAOYSA-N 0 1 256.349 3.651 20 0 CHADMN Clc1cc(Cl)c(N=C2CCCOC2)c(Cl)n1 ZINC001216508038 1134912289 /nfs/dbraw/zinc/91/22/89/1134912289.db2.gz ZMGXATMNZSFYCL-UHFFFAOYSA-N 0 1 279.554 3.758 20 0 CHADMN c1csc(Nc2cncn2Cc2ccccc2)c1 ZINC001216550359 1134918518 /nfs/dbraw/zinc/91/85/18/1134918518.db2.gz VWWWYTOCWIKFPJ-UHFFFAOYSA-N 0 1 255.346 3.737 20 0 CHADMN Cc1cc(C)c(Nc2cncn2Cc2ccccc2)cn1 ZINC001216549859 1134918889 /nfs/dbraw/zinc/91/88/89/1134918889.db2.gz XSATZRFAQIUITM-UHFFFAOYSA-N 0 1 278.359 3.687 20 0 CHADMN c1cc(Nc2cncn2Cc2ccccc2)cs1 ZINC001216550274 1134919016 /nfs/dbraw/zinc/91/90/16/1134919016.db2.gz SUINTTTXNNGLED-UHFFFAOYSA-N 0 1 255.346 3.737 20 0 CHADMN Cc1cc(O)cc(Nc2cncn2Cc2ccccc2)c1 ZINC001216553195 1134919557 /nfs/dbraw/zinc/91/95/57/1134919557.db2.gz JHFBOOOIOUQHNW-UHFFFAOYSA-N 0 1 279.343 3.689 20 0 CHADMN Cc1ccc(Nc2cncn2Cc2ccccc2)c(O)c1 ZINC001216552709 1134920472 /nfs/dbraw/zinc/92/04/72/1134920472.db2.gz YFEXMAHQIBIIAC-UHFFFAOYSA-N 0 1 279.343 3.689 20 0 CHADMN Cc1cc(CNCc2cccc(OC(C)C)c2)sn1 ZINC000404361355 1134945446 /nfs/dbraw/zinc/94/54/46/1134945446.db2.gz FLABRMMAPCNXQL-UHFFFAOYSA-N 0 1 276.405 3.529 20 0 CHADMN Cc1ncn(-c2ccc(-c3nc4ccccc4o3)cc2)c1N ZINC001216686929 1134944765 /nfs/dbraw/zinc/94/47/65/1134944765.db2.gz VEFSVVDICPTNNU-UHFFFAOYSA-N 0 1 290.326 3.571 20 0 CHADMN Brc1csc(CN2CC3CCC2CC3)c1 ZINC000307705330 1134948274 /nfs/dbraw/zinc/94/82/74/1134948274.db2.gz YFSGMTXMTMTVFV-UHFFFAOYSA-N 0 1 286.238 3.885 20 0 CHADMN Fc1ccc(-c2noc(-c3cnc4[nH]cccc3-4)n2)c(F)c1 ZINC001217145598 1134965536 /nfs/dbraw/zinc/96/55/36/1134965536.db2.gz KGYBRAWCEGANRW-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN Cc1ccc(-c2noc(-c3ccc4cncn4c3)n2)cc1C ZINC001217344561 1134972253 /nfs/dbraw/zinc/97/22/53/1134972253.db2.gz DFTYPWYKMHHDAL-UHFFFAOYSA-N 0 1 290.326 3.668 20 0 CHADMN Cc1cccc2nc(-c3nc(-c4ccccc4C)no3)[nH]c21 ZINC001217335638 1134973331 /nfs/dbraw/zinc/97/33/31/1134973331.db2.gz HIOQCJYGFRFJFB-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN CN[C@H](CC(C)C)c1nnc([C@@H]2C[C@H]2c2ccc(C)cc2)o1 ZINC001217714888 1134990663 /nfs/dbraw/zinc/99/06/63/1134990663.db2.gz OMVVKWQXXJNOQG-ARFHVFGLSA-N 0 1 299.418 3.956 20 0 CHADMN C1=C[C@@H](c2nnc(-c3ccc(-c4ccccc4)cc3)o2)NC1 ZINC001217716831 1134990728 /nfs/dbraw/zinc/99/07/28/1134990728.db2.gz BOUFTGVBWCNPAB-INIZCTEOSA-N 0 1 289.338 3.604 20 0 CHADMN C[C@@H]1CCC[C@@H](C)C1OCc1cccc2nc[nH]c21 ZINC001217893303 1135018027 /nfs/dbraw/zinc/01/80/27/1135018027.db2.gz MRFDFHQCVKUATM-VXGBXAGGSA-N 0 1 258.365 3.904 20 0 CHADMN CC(C)C[C@@H](C)C[C@H](CC(C)C)Oc1cnc(CN)nc1 ZINC001218291431 1135078611 /nfs/dbraw/zinc/07/86/11/1135078611.db2.gz NAIJPQDQDQPHMW-CABCVRRESA-N 0 1 293.455 3.801 20 0 CHADMN N[C@H](C(=O)Nc1cc2ccccc2s1)c1ccccc1 ZINC001218581922 1135119056 /nfs/dbraw/zinc/11/90/56/1135119056.db2.gz QHWKYPQWQBTGNQ-HNNXBMFYSA-N 0 1 282.368 3.540 20 0 CHADMN Oc1ccc(Br)c(CN2CC3CCC2CC3)c1 ZINC000310478928 1135125804 /nfs/dbraw/zinc/12/58/04/1135125804.db2.gz DHLJHYWWTRRAHU-UHFFFAOYSA-N 0 1 296.208 3.529 20 0 CHADMN N[C@@H](C(=O)Nc1ccc(F)c2ccccc12)c1ccccc1 ZINC001219258181 1135129312 /nfs/dbraw/zinc/12/93/12/1135129312.db2.gz HLHXNDXPRZWDFE-QGZVFWFLSA-N 0 1 294.329 3.617 20 0 CHADMN Cc1noc([C@@H](NCC[C@H](C)c2ccccc2)C(C)C)n1 ZINC000194440051 1135163031 /nfs/dbraw/zinc/16/30/31/1135163031.db2.gz CITNQDUKKHEAKO-BBRMVZONSA-N 0 1 287.407 3.859 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2cccc(O)c2Br)C1 ZINC000315999108 1135163414 /nfs/dbraw/zinc/16/34/14/1135163414.db2.gz ZWBLBIGGRQWHFD-PHIMTYICSA-N 0 1 298.224 3.633 20 0 CHADMN O=C([O-])C[N@@H+](Cc1cccc(Oc2ccccc2)c1)C1CC1 ZINC000315981086 1135164032 /nfs/dbraw/zinc/16/40/32/1135164032.db2.gz VGEQWEAGMABWBX-UHFFFAOYSA-N 0 1 297.354 3.528 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]1Cc1cccc(O)c1Br ZINC000316139570 1135164784 /nfs/dbraw/zinc/16/47/84/1135164784.db2.gz POIIXJNSFMSZCJ-GFCCVEGCSA-N 0 1 298.224 3.775 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+]1Cc1cccc([O-])c1Br ZINC000316139570 1135164788 /nfs/dbraw/zinc/16/47/88/1135164788.db2.gz POIIXJNSFMSZCJ-GFCCVEGCSA-N 0 1 298.224 3.775 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]1Cc1cccc([O-])c1Br ZINC000316139570 1135164790 /nfs/dbraw/zinc/16/47/90/1135164790.db2.gz POIIXJNSFMSZCJ-GFCCVEGCSA-N 0 1 298.224 3.775 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccnc1)c1cnn(-c2ccccc2)c1 ZINC000316864856 1135169553 /nfs/dbraw/zinc/16/95/53/1135169553.db2.gz PKDHCGDREFQTOE-LSDHHAIUSA-N 0 1 292.386 3.679 20 0 CHADMN CCCOc1ccc(C)c(-c2cccc3[nH]nnc32)c1 ZINC001222179477 1135205240 /nfs/dbraw/zinc/20/52/40/1135205240.db2.gz WTSJZZHHQOZBEV-UHFFFAOYSA-N 0 1 267.332 3.722 20 0 CHADMN Cc1cc(C)c(-c2c(F)cc(C(=O)[O-])cc2F)c(C)[nH+]1 ZINC001222424890 1135241040 /nfs/dbraw/zinc/24/10/40/1135241040.db2.gz HJNGOSBDKQCJGH-UHFFFAOYSA-N 0 1 277.270 3.650 20 0 CHADMN FC(F)(F)c1ccc2c(c1)CC[C@H]2OCc1cnc[nH]1 ZINC001223007055 1135293814 /nfs/dbraw/zinc/29/38/14/1135293814.db2.gz FDAQAPRDYDNVOY-CYBMUJFWSA-N 0 1 282.265 3.633 20 0 CHADMN C[C@@H](OCc1cnc[nH]1)c1ccc2ccccc2c1 ZINC001223001160 1135294225 /nfs/dbraw/zinc/29/42/25/1135294225.db2.gz GPIGMFZUUVUEIX-GFCCVEGCSA-N 0 1 252.317 3.841 20 0 CHADMN Fc1ccccc1CN1CCC[C@H](OCc2ccco2)C1 ZINC001223049964 1135299466 /nfs/dbraw/zinc/29/94/66/1135299466.db2.gz FYSDKLCSXPDDGQ-HNNXBMFYSA-N 0 1 289.350 3.600 20 0 CHADMN CCN1CCC(OC(Cl)(Cl)c2ccccc2)CC1 ZINC001223306208 1135325382 /nfs/dbraw/zinc/32/53/82/1135325382.db2.gz PXNHRXVSBKQCSV-UHFFFAOYSA-N 0 1 288.218 3.775 20 0 CHADMN CN1CCC[C@H](OC(Cl)(Cl)c2ccccc2)CC1 ZINC001223305171 1135325822 /nfs/dbraw/zinc/32/58/22/1135325822.db2.gz IMORQWGCPBEUOP-ZDUSSCGKSA-N 0 1 288.218 3.775 20 0 CHADMN CCN1CC[C@H](OC(Cl)(Cl)c2ccc(F)cc2)C1 ZINC001223924440 1135397690 /nfs/dbraw/zinc/39/76/90/1135397690.db2.gz SIUNWPRGPRCCQT-LBPRGKRZSA-N 0 1 292.181 3.524 20 0 CHADMN CCCCCCO[C@@H]1CC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001224670782 1135468388 /nfs/dbraw/zinc/46/83/88/1135468388.db2.gz YOWSPSHUWHSVTO-HZPDHXFCSA-N 0 1 276.424 3.814 20 0 CHADMN Cc1ccc(F)c(O[C@H]2CCCN(C(C)C)C2)c1F ZINC001225896808 1135635986 /nfs/dbraw/zinc/63/59/86/1135635986.db2.gz KUWWWXSLJWAOAA-LBPRGKRZSA-N 0 1 269.335 3.525 20 0 CHADMN CCN1CC[C@@H](Oc2ccc(C(F)(F)F)cc2Cl)C1 ZINC001225921492 1135638692 /nfs/dbraw/zinc/63/86/92/1135638692.db2.gz VOUNZWPNNKSLKP-SNVBAGLBSA-N 0 1 293.716 3.832 20 0 CHADMN Cc1cc(=O)[nH]c(O[C@@H](C)c2cc3ccccc3s2)n1 ZINC001226156759 1135669008 /nfs/dbraw/zinc/66/90/08/1135669008.db2.gz QJNRVHIRQTVBHR-JTQLQIEISA-N 0 1 286.356 3.845 20 0 CHADMN C[C@H](Oc1n[nH]c2ncccc12)c1ccc(Cl)cc1 ZINC001226302707 1135682778 /nfs/dbraw/zinc/68/27/78/1135682778.db2.gz NMEVNNXLLFSATL-VIFPVBQESA-N 0 1 273.723 3.751 20 0 CHADMN Cc1ccccc1[C@@H](Oc1nccc(=O)[nH]1)c1ccccc1 ZINC001226324138 1135684442 /nfs/dbraw/zinc/68/44/42/1135684442.db2.gz IPIYBKRCNXQIMZ-KRWDZBQOSA-N 0 1 292.338 3.659 20 0 CHADMN Nc1cc(O[C@H]2CC3CCC2CC3)c2ccccc2n1 ZINC001226422495 1135694456 /nfs/dbraw/zinc/69/44/56/1135694456.db2.gz NCCFEYICEWDFSL-QOZQQMKHSA-N 0 1 268.360 3.775 20 0 CHADMN C[C@H](Oc1cc(N)nc2ccccc21)c1ccccc1 ZINC001226420197 1135694728 /nfs/dbraw/zinc/69/47/28/1135694728.db2.gz YHSIOXATDUHXAE-LBPRGKRZSA-N 0 1 264.328 3.957 20 0 CHADMN Cc1ccc2nc(O[C@H](C)c3ncccc3F)[nH]c2c1 ZINC001226509722 1135705554 /nfs/dbraw/zinc/70/55/54/1135705554.db2.gz XMXMBCAWRDRFFN-SNVBAGLBSA-N 0 1 271.295 3.545 20 0 CHADMN C[C@@H](Oc1nc2ccc(F)cc2[nH]1)c1cccs1 ZINC001226700872 1135730421 /nfs/dbraw/zinc/73/04/21/1135730421.db2.gz GVSKTXXTPLLAMP-MRVPVSSYSA-N 0 1 262.309 3.904 20 0 CHADMN Fc1ccc2nc(O[C@H]3CCOc4ccccc43)[nH]c2c1 ZINC001226702256 1135731379 /nfs/dbraw/zinc/73/13/79/1135731379.db2.gz YGQTYTRTFOUTHE-HNNXBMFYSA-N 0 1 284.290 3.605 20 0 CHADMN Cc1ccc2ccccc2c1OC1CCN(CCF)CC1 ZINC001226816706 1135745457 /nfs/dbraw/zinc/74/54/57/1135745457.db2.gz UWHBDJXXBCMDGD-UHFFFAOYSA-N 0 1 287.378 3.961 20 0 CHADMN Clc1ccc2nc(OCCOC3CCCC3)[nH]c2c1 ZINC001227261650 1135811372 /nfs/dbraw/zinc/81/13/72/1135811372.db2.gz CXYIHIACVMDDQT-UHFFFAOYSA-N 0 1 280.755 3.554 20 0 CHADMN CC1(C)CC(=O)CC[C@H]1Oc1nc2ccc(Cl)cc2[nH]1 ZINC001227262776 1135811852 /nfs/dbraw/zinc/81/18/52/1135811852.db2.gz WSMBSPUVLFUOIH-CYBMUJFWSA-N 0 1 292.766 3.743 20 0 CHADMN CCC[C@H](Oc1[nH]c(=O)nc2[nH]ccc21)c1ccccc1 ZINC001227273595 1135813837 /nfs/dbraw/zinc/81/38/37/1135813837.db2.gz JUHNZUMXUKVHBP-ZDUSSCGKSA-N 0 1 283.331 3.584 20 0 CHADMN Cc1cccc2nc(O[C@H](c3cccnc3)C3CC3)[nH]c21 ZINC001227267801 1135814574 /nfs/dbraw/zinc/81/45/74/1135814574.db2.gz HZGTXJLIPJFLBU-INIZCTEOSA-N 0 1 279.343 3.796 20 0 CHADMN CC(C)[N@H+]1CC[C@H](Oc2ccc(Cl)cc2Cl)C1 ZINC001227511308 1135841842 /nfs/dbraw/zinc/84/18/42/1135841842.db2.gz GXAQAGNEEZUPOW-NSHDSACASA-N 0 1 274.191 3.855 20 0 CHADMN CCCC[C@@H](Oc1ncnc2nc[nH]c21)c1ccccc1 ZINC001227531338 1135843515 /nfs/dbraw/zinc/84/35/15/1135843515.db2.gz IALZXWLULAPJOJ-CYBMUJFWSA-N 0 1 282.347 3.663 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(C)o2)cc1F ZINC000037496245 260112824 /nfs/dbraw/zinc/11/28/24/260112824.db2.gz INCZKRNHEWAGTQ-NSHDSACASA-N 0 1 263.312 3.587 20 0 CHADMN FC(F)(F)c1ncc(CN2C[C@@H]3CCCC[C@H]3C2)s1 ZINC000447740268 260124071 /nfs/dbraw/zinc/12/40/71/260124071.db2.gz HGIQCPZPLJPVFK-UWVGGRQHSA-N 0 1 290.354 3.784 20 0 CHADMN CC[C@H](NCc1ccnn1C)c1ccc(Cl)c(Cl)c1 ZINC000071333429 260161315 /nfs/dbraw/zinc/16/13/15/260161315.db2.gz QIYZKWZAVWKUCJ-AWEZNQCLSA-N 0 1 298.217 3.968 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1cn(-c2ccccc2)nn1)C1CC1 ZINC000353307965 529391888 /nfs/dbraw/zinc/39/18/88/529391888.db2.gz MUBVGVYXHDCRIB-HUUCEWRRSA-N 0 1 298.434 3.666 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1Cc1cnn(C(C)C)c1 ZINC000344903278 529463118 /nfs/dbraw/zinc/46/31/18/529463118.db2.gz QUTXUKNEJMNZJA-GOSISDBHSA-N 0 1 283.419 3.801 20 0 CHADMN CC[C@@H](CN[C@@H](C)c1nc2ccccc2n1C(F)F)OC ZINC000353558403 529495280 /nfs/dbraw/zinc/49/52/80/529495280.db2.gz JFQFHCWRDBBJEG-QWRGUYRKSA-N 0 1 297.349 3.507 20 0 CHADMN CC[C@H](NCc1ccc(Cl)o1)c1ccncc1 ZINC000344591091 529626452 /nfs/dbraw/zinc/62/64/52/529626452.db2.gz YFPHOTSFSPHXJV-LBPRGKRZSA-N 0 1 250.729 3.569 20 0 CHADMN CC[C@H](NCc1ccc2cc[nH]c2n1)c1ccccc1OC ZINC000353630662 529630193 /nfs/dbraw/zinc/63/01/93/529630193.db2.gz NDYUTQYHMASRCY-INIZCTEOSA-N 0 1 295.386 3.812 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccc3n[nH]cc3c2)o1 ZINC000353102761 529655193 /nfs/dbraw/zinc/65/51/93/529655193.db2.gz PRLIQHNNYIGJKS-NSHDSACASA-N 0 1 269.348 3.569 20 0 CHADMN CCc1ccc(CN(C)C[C@H]2OCCc3ccccc32)o1 ZINC000352671208 529634748 /nfs/dbraw/zinc/63/47/48/529634748.db2.gz HXFYCHXWFQYEDI-GOSISDBHSA-N 0 1 285.387 3.588 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(C)s2)cn1 ZINC000347775361 529635884 /nfs/dbraw/zinc/63/58/84/529635884.db2.gz LHGSYIMPCXIGGN-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN Clc1sccc1CNCCOc1ccccc1 ZINC000312610627 260182280 /nfs/dbraw/zinc/18/22/80/260182280.db2.gz VTUMJVRKURILFB-UHFFFAOYSA-N 0 1 267.781 3.570 20 0 CHADMN CCc1nc(CN(CC)Cc2ccc3ccccc3c2)n[nH]1 ZINC000354847298 529735462 /nfs/dbraw/zinc/73/54/62/529735462.db2.gz ZIRNRRDZMOLXKL-UHFFFAOYSA-N 0 1 294.402 3.542 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000086807119 260210366 /nfs/dbraw/zinc/21/03/66/260210366.db2.gz WOCHSYLFABTRAN-STQMWFEESA-N 0 1 277.408 3.698 20 0 CHADMN CN(Cc1cc2ccccc2s1)Cc1ccccn1 ZINC000350357705 529981255 /nfs/dbraw/zinc/98/12/55/529981255.db2.gz PHGGVBYWQAHCED-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN CN(Cc1ccco1)c1ccnc2cc(F)ccc21 ZINC000113246813 530008404 /nfs/dbraw/zinc/00/84/04/530008404.db2.gz FXVHKCOYLXMKHU-UHFFFAOYSA-N 0 1 256.280 3.603 20 0 CHADMN Cc1cccc(C)c1[C@H](C)NCc1ccncc1F ZINC000449243726 260304678 /nfs/dbraw/zinc/30/46/78/260304678.db2.gz MSJNQNBLKNBWBV-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1N[C@@H](C)[C@H](C)O ZINC000573795382 334966366 /nfs/dbraw/zinc/96/63/66/334966366.db2.gz GEABXYSGVROWIS-GJZGRUSLSA-N 0 1 276.424 3.557 20 0 CHADMN CC[C@@H](N[C@H](C)c1nc(C(C)(C)C)no1)C(C)(C)C ZINC000517964919 260327576 /nfs/dbraw/zinc/32/75/76/260327576.db2.gz BCJAWLWWGLYRGH-GHMZBOCLSA-N 0 1 267.417 3.842 20 0 CHADMN O=C1[C@H]2CCCCC2=NN1c1ccc(C(F)(F)F)cc1 ZINC000106887023 186147227 /nfs/dbraw/zinc/14/72/27/186147227.db2.gz RURPTDITYKFVSP-NSHDSACASA-N 0 1 282.265 3.598 20 0 CHADMN O=c1c2c([nH]n1-c1ccc(C(F)(F)F)cc1)CCCC2 ZINC000106887023 186147229 /nfs/dbraw/zinc/14/72/29/186147229.db2.gz RURPTDITYKFVSP-NSHDSACASA-N 0 1 282.265 3.598 20 0 CHADMN C[C@@H](NCc1cccc(Cl)c1)c1cncc(F)c1 ZINC000132568191 260503288 /nfs/dbraw/zinc/50/32/88/260503288.db2.gz IQAPEFXREFQZDR-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN Cc1cccnc1CN(CCC(F)(F)F)CC1CC1 ZINC000093188592 260512439 /nfs/dbraw/zinc/51/24/39/260512439.db2.gz IPVHYLQAQGJYJY-UHFFFAOYSA-N 0 1 272.314 3.554 20 0 CHADMN c1cc2cc(CNCc3ccc4c(n3)CCCC4)ccc2o1 ZINC000286081602 370691021 /nfs/dbraw/zinc/69/10/21/370691021.db2.gz SIPDPUAYSWENAU-UHFFFAOYSA-N 0 1 292.382 3.996 20 0 CHADMN CCC(CC)N(CC)Cc1cn(-c2ccccc2C)nn1 ZINC000574201741 335000419 /nfs/dbraw/zinc/00/04/19/335000419.db2.gz UVBAGHFVEGHHRZ-UHFFFAOYSA-N 0 1 286.423 3.586 20 0 CHADMN CC[C@](C)(NCc1cccs1)c1nccs1 ZINC000152631542 261066533 /nfs/dbraw/zinc/06/65/33/261066533.db2.gz PHQBHPMRVLANJI-LBPRGKRZSA-N 0 1 252.408 3.620 20 0 CHADMN CCO[C@@H]1C[C@H]1N[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000574266872 335004945 /nfs/dbraw/zinc/00/49/45/335004945.db2.gz VLZJJLNNDYTGJD-QRVBRYPASA-N 0 1 297.398 3.552 20 0 CHADMN CCSc1ccc(Cl)cc1NC(=O)c1csnn1 ZINC000104482402 261295516 /nfs/dbraw/zinc/29/55/16/261295516.db2.gz SWIVCLJIUWBRLE-UHFFFAOYSA-N 0 1 299.808 3.556 20 0 CHADMN CCc1ccc(-c2noc([C@@H](C)NC3CC(C)C3)n2)cc1 ZINC000574436067 335019560 /nfs/dbraw/zinc/01/95/60/335019560.db2.gz SBXQXYYHGMNKRT-MQYJIDSJSA-N 0 1 285.391 3.748 20 0 CHADMN Fc1ccc(CN2CC[C@H](c3cccnc3)C2)cc1Cl ZINC000574515786 335025341 /nfs/dbraw/zinc/02/53/41/335025341.db2.gz UNTZAEKBIJEERN-AWEZNQCLSA-N 0 1 290.769 3.864 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1ccc(F)cc1Cl ZINC000574585392 335032423 /nfs/dbraw/zinc/03/24/23/335032423.db2.gz VDJKHYWQNOCLBJ-NRUUGDAUSA-N 0 1 299.773 3.553 20 0 CHADMN Cc1noc(C(C)(C)NCCCC2CCCCC2)n1 ZINC000574607178 335033584 /nfs/dbraw/zinc/03/35/84/335033584.db2.gz UGIXVEXYWGYBEA-UHFFFAOYSA-N 0 1 265.401 3.563 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H]2CCC(C)=C(C)C2)c1 ZINC000574641865 335036362 /nfs/dbraw/zinc/03/63/62/335036362.db2.gz XBEUKBKBDYBKQI-CQSZACIVSA-N 0 1 287.359 3.670 20 0 CHADMN Cc1cncc([C@@H](C)NCc2ccccc2Cl)c1 ZINC000184249324 262013032 /nfs/dbraw/zinc/01/30/32/262013032.db2.gz HBWZRZDCTJUOSJ-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN CSc1ccc(N(C)C(=O)c2cccc3[nH]ncc32)cc1 ZINC000353285129 532973425 /nfs/dbraw/zinc/97/34/25/532973425.db2.gz ALQOKMAUDCTBAX-UHFFFAOYSA-N 0 1 297.383 3.561 20 0 CHADMN COc1ccccc1[C@@H]1CCCN1Cc1cccc(C)n1 ZINC000347360981 532984516 /nfs/dbraw/zinc/98/45/16/532984516.db2.gz HGIFGEKDUGYOBQ-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN CC[C@@H](NCc1cccc(O)c1)c1ccccc1OC ZINC000035272695 260018403 /nfs/dbraw/zinc/01/84/03/260018403.db2.gz GKQRXZNPQJKINU-MRXNPFEDSA-N 0 1 271.360 3.642 20 0 CHADMN Cc1nnsc1C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000575063392 335060872 /nfs/dbraw/zinc/06/08/72/335060872.db2.gz UKKZWNCNTBATRL-OAHLLOKOSA-N 0 1 287.432 3.964 20 0 CHADMN Cc1nnsc1CN1CCCCC[C@@H]1c1ccccc1 ZINC000575063392 335060873 /nfs/dbraw/zinc/06/08/73/335060873.db2.gz UKKZWNCNTBATRL-OAHLLOKOSA-N 0 1 287.432 3.964 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@H](C)c1cc(F)ccc1F ZINC000221896960 262320473 /nfs/dbraw/zinc/32/04/73/262320473.db2.gz OBNWHEVBQKKZRJ-HTQZYQBOSA-N 0 1 267.241 3.956 20 0 CHADMN CSC[C@@H](C)N[C@@H](C)c1csc(C(C)C)n1 ZINC000186347105 262313888 /nfs/dbraw/zinc/31/38/88/262313888.db2.gz NPTJEMYOSCOFBB-ZJUUUORDSA-N 0 1 258.456 3.669 20 0 CHADMN C[C@@H](c1cc(Cl)ccc1Cl)N(C)CC1(CO)CC1 ZINC000186815672 262325874 /nfs/dbraw/zinc/32/58/74/262325874.db2.gz LABAXEHDVOAQBP-JTQLQIEISA-N 0 1 288.218 3.759 20 0 CHADMN CC[C@@H](NCc1ccnc(C)c1)c1ccccc1F ZINC000391165260 262385116 /nfs/dbraw/zinc/38/51/16/262385116.db2.gz OTDGJWSFGUYVHQ-MRXNPFEDSA-N 0 1 258.340 3.770 20 0 CHADMN CCCC(=O)Nc1cccc(CNCc2cccn2CC)c1 ZINC000575083405 335063209 /nfs/dbraw/zinc/06/32/09/335063209.db2.gz IVDBDHVTDBWGRK-UHFFFAOYSA-N 0 1 299.418 3.536 20 0 CHADMN CO[C@@H](C)c1nc(CN[C@H]2CCC23CCCC3)cs1 ZINC000353312682 533359217 /nfs/dbraw/zinc/35/92/17/533359217.db2.gz JTLVZCXGKXBQQO-AAEUAGOBSA-N 0 1 280.437 3.663 20 0 CHADMN CO[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000352091609 533416364 /nfs/dbraw/zinc/41/63/64/533416364.db2.gz GFKXVNRYPRTZSE-QMTHXVAHSA-N 0 1 288.218 3.993 20 0 CHADMN C[C@@H](NC[C@@H]1CCSC1)c1nc(C2CCCCC2)no1 ZINC000330178991 533422122 /nfs/dbraw/zinc/42/21/22/533422122.db2.gz MBGJFMKGGSLNMV-NEPJUHHUSA-N 0 1 295.452 3.521 20 0 CHADMN COc1cccc(CN(Cc2cccs2)C(C)C)n1 ZINC000353294560 533474502 /nfs/dbraw/zinc/47/45/02/533474502.db2.gz KAJDNLGZWXLIGI-UHFFFAOYSA-N 0 1 276.405 3.562 20 0 CHADMN CSC1(CN2CCc3c(F)cc(F)cc3C2)CCC1 ZINC000356123010 533482650 /nfs/dbraw/zinc/48/26/50/533482650.db2.gz MMWPUYZIDUKEJX-UHFFFAOYSA-N 0 1 283.387 3.609 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C)o2)c(C)c1OC ZINC000347665421 533542496 /nfs/dbraw/zinc/54/24/96/533542496.db2.gz DVOLUFVNPYJVSW-UHFFFAOYSA-N 0 1 289.375 3.546 20 0 CHADMN COc1ccc(CN(Cc2n[nH]cc2C)[C@@H](C)C2CC2)cc1 ZINC000356088581 533550687 /nfs/dbraw/zinc/55/06/87/533550687.db2.gz PNNYKLHEKLUENW-AWEZNQCLSA-N 0 1 299.418 3.527 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCCN1CCCc2occc2C1 ZINC000344244359 533626181 /nfs/dbraw/zinc/62/61/81/533626181.db2.gz FQORXRTWXNOQII-GDBMZVCRSA-N 0 1 277.408 3.623 20 0 CHADMN Cc1nccc(NCCc2csc(C(C)C)n2)c1Cl ZINC000352751531 533639869 /nfs/dbraw/zinc/63/98/69/533639869.db2.gz GGCDSGFXAUKSMJ-UHFFFAOYSA-N 0 1 295.839 3.700 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H](C)c1cccc(C)c1 ZINC000353561405 533671115 /nfs/dbraw/zinc/67/11/15/533671115.db2.gz KAKYSRZBIVCIEZ-VIFPVBQESA-N 0 1 293.317 3.706 20 0 CHADMN Cc1cnn(CCN(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)c1 ZINC000341835019 130066289 /nfs/dbraw/zinc/06/62/89/130066289.db2.gz UMBLOJKCGHXHAK-PBHICJAKSA-N 0 1 299.418 3.573 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@@]2(C1)CCCOC2 ZINC000341986960 130210086 /nfs/dbraw/zinc/21/00/86/130210086.db2.gz GIYUYWCXQNUCAJ-CXAGYDPISA-N 0 1 292.423 3.536 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@]2(C1)CCCOC2 ZINC000341987724 130210751 /nfs/dbraw/zinc/21/07/51/130210751.db2.gz HTCRTMVFIUNQKR-WBMJQRKESA-N 0 1 281.346 3.528 20 0 CHADMN Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCCCC(=O)[O-])c1 ZINC000342123224 130278322 /nfs/dbraw/zinc/27/83/22/130278322.db2.gz JXXKYBDQAGOFRO-CQSZACIVSA-N 0 1 263.381 3.551 20 0 CHADMN Cc1ccccc1C1CC([N@@H+](CCCC(=O)[O-])C2CC2)C1 ZINC000342172852 130308119 /nfs/dbraw/zinc/30/81/19/130308119.db2.gz SDAOYVZJNVDMST-UHFFFAOYSA-N 0 1 287.403 3.570 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H]3CCC[C@H](C)C3)ccc12 ZINC000354989919 533673763 /nfs/dbraw/zinc/67/37/63/533673763.db2.gz LAQLJMJBSZRKEZ-JQWIXIFHSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1ccc(C)c(CNc2ccc3c[nH]nc3c2)c1 ZINC000006667604 170224058 /nfs/dbraw/zinc/22/40/58/170224058.db2.gz DRQNAOFDPZJTGL-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN Cc1ccc(NC(=O)CN2[C@@H](C)CCC[C@@H]2C)c(C)c1 ZINC000009997803 170394043 /nfs/dbraw/zinc/39/40/43/170394043.db2.gz HQFRGMGNEUDAHN-GJZGRUSLSA-N 0 1 274.408 3.505 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1CC(=O)Nc1cccc(Cl)c1 ZINC000009997650 170394057 /nfs/dbraw/zinc/39/40/57/170394057.db2.gz DUWANWSAPAQDDM-TXEJJXNPSA-N 0 1 280.799 3.541 20 0 CHADMN CCC[C@H]1CCC[N@H+]([C@@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000575131248 335070714 /nfs/dbraw/zinc/07/07/14/335070714.db2.gz ZVFXHUGBUOXIMU-AAEUAGOBSA-N 0 1 279.380 3.859 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccn1)c1ccc(F)c(F)c1 ZINC000020123546 171005054 /nfs/dbraw/zinc/00/50/54/171005054.db2.gz WQANCAYKEGTQOB-QWRGUYRKSA-N 0 1 262.303 3.772 20 0 CHADMN C[C@@H](NCc1ccccc1C(F)(F)F)c1cccnc1 ZINC000020127449 171013009 /nfs/dbraw/zinc/01/30/09/171013009.db2.gz KEKWGTMMHWIXOB-LLVKDONJSA-N 0 1 280.293 3.951 20 0 CHADMN C[C@H](NCc1cccnc1)c1ccc(F)c(Cl)c1 ZINC000020141263 171027900 /nfs/dbraw/zinc/02/79/00/171027900.db2.gz QNCWFOWKXLLMDF-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN C[C@@H](NCc1cccnc1)c1cc2ccccc2o1 ZINC000020141197 171028040 /nfs/dbraw/zinc/02/80/40/171028040.db2.gz RUBAVKGTAYXQKQ-GFCCVEGCSA-N 0 1 252.317 3.679 20 0 CHADMN Fc1ccc(CNCc2ccc(Cl)cc2)cc1F ZINC000020209599 171073530 /nfs/dbraw/zinc/07/35/30/171073530.db2.gz QCHBSXGBWBENLW-UHFFFAOYSA-N 0 1 267.706 3.908 20 0 CHADMN C[C@H](NCc1cccc(F)c1)c1ccc(F)cc1F ZINC000020305592 171142315 /nfs/dbraw/zinc/14/23/15/171142315.db2.gz KQQAFOMJEXQQOQ-JTQLQIEISA-N 0 1 265.278 3.955 20 0 CHADMN CCCOc1cccc(CNCc2ccccc2OC)c1 ZINC000020925094 171279864 /nfs/dbraw/zinc/27/98/64/171279864.db2.gz LXVFPXNHBSGZRV-UHFFFAOYSA-N 0 1 285.387 3.774 20 0 CHADMN C[C@H](NCc1cc(F)ccc1F)c1ccc(F)cc1 ZINC000037233071 173052732 /nfs/dbraw/zinc/05/27/32/173052732.db2.gz BMYNOTKSRNZPJJ-JTQLQIEISA-N 0 1 265.278 3.955 20 0 CHADMN Cc1cc(F)ccc1CN1CCC(C(F)(F)F)CC1 ZINC000179964378 260083790 /nfs/dbraw/zinc/08/37/90/260083790.db2.gz HZMGLMWVYIYMFE-UHFFFAOYSA-N 0 1 275.289 3.908 20 0 CHADMN Cn1ccc(CN[C@@H](Cc2ccccc2)c2cccs2)n1 ZINC000344347231 225038754 /nfs/dbraw/zinc/03/87/54/225038754.db2.gz RVPQAGJXLKOABG-INIZCTEOSA-N 0 1 297.427 3.555 20 0 CHADMN Cc1ccc(C(=O)CC[N@H+]2CCCc3occc3C2)cc1 ZINC000344248335 225005083 /nfs/dbraw/zinc/00/50/83/225005083.db2.gz GYWWCEOYTQJZHO-UHFFFAOYSA-N 0 1 283.371 3.609 20 0 CHADMN Cc1ccc(C(=O)CCN2CCCc3occc3C2)cc1 ZINC000344248335 225005086 /nfs/dbraw/zinc/00/50/86/225005086.db2.gz GYWWCEOYTQJZHO-UHFFFAOYSA-N 0 1 283.371 3.609 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@H](C)c3ccccc3)cc2[nH]1 ZINC000344255710 225007036 /nfs/dbraw/zinc/00/70/36/225007036.db2.gz ITPOHWNBBWTUDA-LLVKDONJSA-N 0 1 279.343 3.614 20 0 CHADMN C[C@H](N[C@@H]1CCCc2ccc(O)cc21)c1cncc(F)c1 ZINC000334603908 225082720 /nfs/dbraw/zinc/08/27/20/225082720.db2.gz JKYBVYCBJHNGJH-APPDUMDISA-N 0 1 286.350 3.655 20 0 CHADMN Cc1ccc2nc(NC(=O)CC3(C(F)(F)F)CC3)[nH]c2c1 ZINC000344488807 225083621 /nfs/dbraw/zinc/08/36/21/225083621.db2.gz WHLNAKJMULNRKW-UHFFFAOYSA-N 0 1 297.280 3.542 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@@H]1CCOc2c(C)cccc21 ZINC000366972534 226043523 /nfs/dbraw/zinc/04/35/23/226043523.db2.gz GHCDKOVBVRVESD-QGZVFWFLSA-N 0 1 299.418 3.694 20 0 CHADMN Cc1oncc1CN[C@H](c1ccccc1)C(C)(C)C ZINC000347265321 226105732 /nfs/dbraw/zinc/10/57/32/226105732.db2.gz JGZMJSAQDPXAMM-OAHLLOKOSA-N 0 1 258.365 3.860 20 0 CHADMN Cc1nnc(CN2CC[C@H](C(C)(C)C)C[C@H]2C)n1C1CC1 ZINC000347610041 226198728 /nfs/dbraw/zinc/19/87/28/226198728.db2.gz ZHAZUJSZARBFOY-OCCSQVGLSA-N 0 1 290.455 3.568 20 0 CHADMN C[C@@H]1CN(Cc2cscc2Br)C[C@H]1C ZINC000347857748 226385492 /nfs/dbraw/zinc/38/54/92/226385492.db2.gz OHGNLGDFATXIJH-RKDXNWHRSA-N 0 1 274.227 3.598 20 0 CHADMN COCC[C@@H](NCc1ccccc1SC)c1ccco1 ZINC000347918539 226392458 /nfs/dbraw/zinc/39/24/58/226392458.db2.gz BBRZXPHNPIPZKE-CQSZACIVSA-N 0 1 291.416 3.869 20 0 CHADMN Cc1cc(C(=O)CN2CCC[C@@H]2c2ccccc2)c(C)[nH]1 ZINC000348001966 226395345 /nfs/dbraw/zinc/39/53/45/226395345.db2.gz PWQFIPUYHWWFLC-QGZVFWFLSA-N 0 1 282.387 3.651 20 0 CHADMN CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCCCC(=O)[O-])o1 ZINC000575188027 335077806 /nfs/dbraw/zinc/07/78/06/335077806.db2.gz GKPAIWJWRQABRW-UKRRQHHQSA-N 0 1 293.407 3.870 20 0 CHADMN Cc1cscc1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000336445322 227017582 /nfs/dbraw/zinc/01/75/82/227017582.db2.gz BHBQICJOBZTWGO-UHFFFAOYSA-N 0 1 285.727 3.807 20 0 CHADMN CCc1nocc1CN(CC)[C@H](C)c1ccc(F)cc1 ZINC000350471604 227020727 /nfs/dbraw/zinc/02/07/27/227020727.db2.gz ACDXVJONGUVIOD-GFCCVEGCSA-N 0 1 276.355 3.959 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)o1 ZINC000350480231 227022816 /nfs/dbraw/zinc/02/28/16/227022816.db2.gz PYKWLVBPPAESFZ-DZKIICNBSA-N 0 1 299.418 3.646 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@@H](c3ccccc3)C2)s1 ZINC000336463782 227037588 /nfs/dbraw/zinc/03/75/88/227037588.db2.gz XRUVYFLPKMCYFG-SWLSCSKDSA-N 0 1 287.432 3.787 20 0 CHADMN Clc1sccc1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000336530634 227095809 /nfs/dbraw/zinc/09/58/09/227095809.db2.gz VWBJYSJXEUQCCV-NSHDSACASA-N 0 1 281.812 3.504 20 0 CHADMN Oc1cccnc1CSc1nc2ccc(Cl)cc2[nH]1 ZINC000575204070 335080669 /nfs/dbraw/zinc/08/06/69/335080669.db2.gz QUHMXIAUACEMKH-UHFFFAOYSA-N 0 1 291.763 3.609 20 0 CHADMN FC(F)(F)c1cccnc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000352719847 227188902 /nfs/dbraw/zinc/18/89/02/227188902.db2.gz NWYCTCYYPPSPEV-SMDDNHRTSA-N 0 1 284.325 3.865 20 0 CHADMN CCOc1ncccc1CNCc1ccc2occc2c1 ZINC000352766710 227202587 /nfs/dbraw/zinc/20/25/87/227202587.db2.gz AFEOTFYHZUMMNF-UHFFFAOYSA-N 0 1 282.343 3.516 20 0 CHADMN Cc1c2ccccc2oc1[C@H](C)N[C@H](C)c1ccnn1C ZINC000192729461 227284059 /nfs/dbraw/zinc/28/40/59/227284059.db2.gz JFJHKXLSZXFHLV-OLZOCXBDSA-N 0 1 283.375 3.887 20 0 CHADMN Cc1cc([C@H](C)NC(=O)c2cccc3nc[nH]c32)c(C)s1 ZINC000354999162 227299366 /nfs/dbraw/zinc/29/93/66/227299366.db2.gz HYQBHDKNVDQVJI-JTQLQIEISA-N 0 1 299.399 3.732 20 0 CHADMN Cc1sc(CNc2ccnc(C)c2Cl)nc1C(C)C ZINC000352847100 227323532 /nfs/dbraw/zinc/32/35/32/227323532.db2.gz WCWMLMGUJLOIDG-UHFFFAOYSA-N 0 1 295.839 3.966 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC(c2c[nH]cn2)CC1 ZINC000334147322 227334343 /nfs/dbraw/zinc/33/43/43/227334343.db2.gz TXRAXYDTPWCWHQ-LLVKDONJSA-N 0 1 291.345 3.629 20 0 CHADMN Cc1ccnc(NCCSCc2ccccc2F)c1 ZINC000301621459 227615052 /nfs/dbraw/zinc/61/50/52/227615052.db2.gz DGHLBUUJRGIUAY-UHFFFAOYSA-N 0 1 276.380 3.874 20 0 CHADMN Cc1cccc(NCCc2cc3ccccc3o2)n1 ZINC000302230158 227827688 /nfs/dbraw/zinc/82/76/88/227827688.db2.gz BTHZECUZUSGRSK-UHFFFAOYSA-N 0 1 252.317 3.791 20 0 CHADMN CCc1nnc([C@H](C)N[C@H](C)[C@H](C)C2CCCCC2)o1 ZINC000329695739 227882999 /nfs/dbraw/zinc/88/29/99/227882999.db2.gz XPTVFNNBSGZRKC-XQQFMLRXSA-N 0 1 279.428 3.888 20 0 CHADMN CCc1nn(C)cc1CN[C@H](CCC(C)C)c1ccoc1 ZINC000353408145 228097320 /nfs/dbraw/zinc/09/73/20/228097320.db2.gz YVWWSIOICKKNEH-QGZVFWFLSA-N 0 1 289.423 3.843 20 0 CHADMN C[C@H]1CSCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000353462953 228106506 /nfs/dbraw/zinc/10/65/06/228106506.db2.gz LAVDIQQAHPJQEC-JTQLQIEISA-N 0 1 291.338 3.523 20 0 CHADMN C[C@H]1CSCCN1Cc1ccc(OC(F)(F)F)cc1 ZINC000353462953 228106507 /nfs/dbraw/zinc/10/65/07/228106507.db2.gz LAVDIQQAHPJQEC-JTQLQIEISA-N 0 1 291.338 3.523 20 0 CHADMN Cc1sccc1CN1CCOc2ccc(C)cc2C1 ZINC000353471329 228107416 /nfs/dbraw/zinc/10/74/16/228107416.db2.gz NLKSECITBOYHMQ-UHFFFAOYSA-N 0 1 273.401 3.760 20 0 CHADMN C[C@H](c1ccc(Cl)cc1Cl)N(C)C1CC(O)C1 ZINC000353484923 228109291 /nfs/dbraw/zinc/10/92/91/228109291.db2.gz KYKLYKGFESLWRA-MFAVDMRSSA-N 0 1 274.191 3.510 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@@H](CCC(C)C)c1ccoc1 ZINC000353500068 228111222 /nfs/dbraw/zinc/11/12/22/228111222.db2.gz WBSUQFOPLILQIJ-KRWDZBQOSA-N 0 1 289.423 3.897 20 0 CHADMN Cc1nc(C)c(CN[C@H](c2ccc(F)cn2)C(C)C)s1 ZINC000353539372 228117004 /nfs/dbraw/zinc/11/70/04/228117004.db2.gz XBBFPKYWBPRTDW-HNNXBMFYSA-N 0 1 293.411 3.781 20 0 CHADMN Cc1cc(C)c(CN[C@H]2COCc3ccccc32)cc1C ZINC000418096271 228038158 /nfs/dbraw/zinc/03/81/58/228038158.db2.gz IEDPUVXZGJNQOA-IBGZPJMESA-N 0 1 281.399 3.973 20 0 CHADMN Cc1cccc(NCC2(c3ccccc3)CCOCC2)n1 ZINC000114184676 228044790 /nfs/dbraw/zinc/04/47/90/228044790.db2.gz QELRFETZQXLUMT-UHFFFAOYSA-N 0 1 282.387 3.550 20 0 CHADMN c1ccc(-c2noc(CN[C@@H]3CCC[C@H](C4CC4)C3)n2)cc1 ZINC000330129751 228045763 /nfs/dbraw/zinc/04/57/63/228045763.db2.gz ONHBTUXZNLXZKM-JKSUJKDBSA-N 0 1 297.402 3.795 20 0 CHADMN COc1cccc(CN(C)Cc2csc3ccccc23)n1 ZINC000353146107 228064038 /nfs/dbraw/zinc/06/40/38/228064038.db2.gz YTZCFLFAAQLHMC-UHFFFAOYSA-N 0 1 298.411 3.937 20 0 CHADMN Cc1ccnc([C@H](C)N[C@@H](c2cccnc2)C2CC2)c1 ZINC000353611861 228131750 /nfs/dbraw/zinc/13/17/50/228131750.db2.gz FVZDPYOLBFTXOH-SUMWQHHRSA-N 0 1 267.376 3.587 20 0 CHADMN Cc1nc2ccccn2c1CN1Cc2ccccc2C[C@@H]1C ZINC000353647054 228139010 /nfs/dbraw/zinc/13/90/10/228139010.db2.gz FTFHWVIUWGRUDH-AWEZNQCLSA-N 0 1 291.398 3.590 20 0 CHADMN C[C@H](N[C@@H]1CC[C@H]1C)c1nc(C(F)(F)F)cs1 ZINC000353798116 228154088 /nfs/dbraw/zinc/15/40/88/228154088.db2.gz UFKSAPVCSRQXJB-GJMOJQLCSA-N 0 1 264.316 3.611 20 0 CHADMN C[C@@H]1c2ccccc2CN1Cc1ccccc1N(C)C ZINC000353876927 228161773 /nfs/dbraw/zinc/16/17/73/228161773.db2.gz AEZFCNLXOQQRSS-CQSZACIVSA-N 0 1 266.388 3.829 20 0 CHADMN Cc1ccc([C@@H]2CCCN2C(=O)c2cnc(C3CC3)[nH]2)cc1 ZINC000335960663 228171579 /nfs/dbraw/zinc/17/15/79/228171579.db2.gz RZESFKVSGJUNQJ-INIZCTEOSA-N 0 1 295.386 3.573 20 0 CHADMN C[C@]1(O)CCCN(Cc2ccc(C(F)(F)F)s2)CC1 ZINC000336072485 228184797 /nfs/dbraw/zinc/18/47/97/228184797.db2.gz DDMHHVKQQQIHQI-LBPRGKRZSA-N 0 1 293.354 3.504 20 0 CHADMN Cc1nc(CN2CCC(C)(C3CC3)CC2)c(C)s1 ZINC000352176540 228191924 /nfs/dbraw/zinc/19/19/24/228191924.db2.gz QDZLUKRCUJCQKO-UHFFFAOYSA-N 0 1 264.438 3.772 20 0 CHADMN c1ncn2ccc(-c3noc(C4CCCCCC4)n3)cc12 ZINC000333393995 228199740 /nfs/dbraw/zinc/19/97/40/228199740.db2.gz HMGFVBRCGMIPPH-UHFFFAOYSA-N 0 1 282.347 3.822 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2csc(C)c2)on1 ZINC000336215598 228215518 /nfs/dbraw/zinc/21/55/18/228215518.db2.gz IZVPJYVEWWRZLL-ZDUSSCGKSA-N 0 1 262.378 3.690 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnn(C)c1C)c1ccccc1OC ZINC000037321744 260088843 /nfs/dbraw/zinc/08/88/43/260088843.db2.gz DFDQROSUZONWDO-MLGOLLRUSA-N 0 1 287.407 3.539 20 0 CHADMN CCN(Cc1cnc(C2CCCC2)s1)C1CC1 ZINC000180100853 260093171 /nfs/dbraw/zinc/09/31/71/260093171.db2.gz GBDJUAQSBKNAMR-UHFFFAOYSA-N 0 1 250.411 3.785 20 0 CHADMN C[C@@H](NCc1cnn(Cc2ccccc2)c1)c1cccs1 ZINC000035113701 260009466 /nfs/dbraw/zinc/00/94/66/260009466.db2.gz YWZZLYHRMDPEHJ-CQSZACIVSA-N 0 1 297.427 3.844 20 0 CHADMN COc1ccccc1CN(C)CC1=Cc2ccccc2OC1 ZINC000179589059 260056075 /nfs/dbraw/zinc/05/60/75/260056075.db2.gz SWRBYTNQCAYQNX-UHFFFAOYSA-N 0 1 295.382 3.603 20 0 CHADMN CC[C@@H](C)C[N@@H+](C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000179686408 260063583 /nfs/dbraw/zinc/06/35/83/260063583.db2.gz GCDUJJWSRWBCEZ-CYBMUJFWSA-N 0 1 257.381 3.555 20 0 CHADMN CCc1oc2ccccc2c1CN(C)Cc1cnn(CC)c1 ZINC000179764570 260068243 /nfs/dbraw/zinc/06/82/43/260068243.db2.gz YYYWORNBDTWHEA-UHFFFAOYSA-N 0 1 297.402 3.844 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@@H](C)c1ccccc1)CCO2 ZINC000037185897 260072870 /nfs/dbraw/zinc/07/28/70/260072870.db2.gz HSGPLHRVHVEBTF-SUMWQHHRSA-N 0 1 283.371 3.870 20 0 CHADMN C[C@@H]1C[C@@H](C)N1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000521384602 260092644 /nfs/dbraw/zinc/09/26/44/260092644.db2.gz PFJIZUAUDCKCLP-RKDXNWHRSA-N 0 1 275.726 3.924 20 0 CHADMN COc1cccc(CNCc2ccc([C@H]3C[C@H]3C)o2)c1 ZINC000037488883 260110153 /nfs/dbraw/zinc/11/01/53/260110153.db2.gz UMXRFNXUWZVRCK-WBMJQRKESA-N 0 1 271.360 3.701 20 0 CHADMN CCc1ccc([C@@H](CC)NCc2cccnc2OC)cc1 ZINC000037650293 260115086 /nfs/dbraw/zinc/11/50/86/260115086.db2.gz XWHXAWPFNBZEHV-QGZVFWFLSA-N 0 1 284.403 3.894 20 0 CHADMN COc1ncccc1CN[C@@H](C)c1cc(C)ccc1C ZINC000037650532 260115438 /nfs/dbraw/zinc/11/54/38/260115438.db2.gz OKIPQOFZUYCLOG-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CCOc1ccc(C(C)=O)cc1C[N@@H+](CC)CC(C)C ZINC000037641752 260115669 /nfs/dbraw/zinc/11/56/69/260115669.db2.gz MVZACFWXNQXNAN-UHFFFAOYSA-N 0 1 277.408 3.766 20 0 CHADMN COCc1ccccc1CN[C@@H](C)c1ccccc1OC ZINC000037762714 260116792 /nfs/dbraw/zinc/11/67/92/260116792.db2.gz NNVZPNMNVPYWKY-AWEZNQCLSA-N 0 1 285.387 3.692 20 0 CHADMN CCC[C@H](N[C@@H](C)c1nccn1C)c1ccccc1 ZINC000070444424 260157836 /nfs/dbraw/zinc/15/78/36/260157836.db2.gz BTYGWDHJSFGCOM-ZFWWWQNUSA-N 0 1 257.381 3.612 20 0 CHADMN c1c(CN[C@@H](c2ccccc2)C2CC2)nc2ccccn12 ZINC000073460328 260165090 /nfs/dbraw/zinc/16/50/90/260165090.db2.gz QCKOMEUSNCBDJC-SFHVURJKSA-N 0 1 277.371 3.575 20 0 CHADMN C[C@@H](NCc1cccc2c1OC(C)(C)C2)c1cccnc1 ZINC000078005673 260167532 /nfs/dbraw/zinc/16/75/32/260167532.db2.gz FSBPTADYJGUFFT-CYBMUJFWSA-N 0 1 282.387 3.646 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2)CC1 ZINC000079349328 260175540 /nfs/dbraw/zinc/17/55/40/260175540.db2.gz LOKNWGUQLGHMEZ-HNNXBMFYSA-N 0 1 275.392 3.643 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2)CC1 ZINC000079349323 260175736 /nfs/dbraw/zinc/17/57/36/260175736.db2.gz LOKNWGUQLGHMEZ-OAHLLOKOSA-N 0 1 275.392 3.643 20 0 CHADMN Cc1ccc([C@@H](NCc2nccs2)C2CC2)cc1 ZINC000041012685 260181446 /nfs/dbraw/zinc/18/14/46/260181446.db2.gz XHJAWSVYXMXXGC-OAHLLOKOSA-N 0 1 258.390 3.692 20 0 CHADMN C[C@@H](NCc1cccnc1)c1cnc2ccsc2c1 ZINC000085433234 260204014 /nfs/dbraw/zinc/20/40/14/260204014.db2.gz AEZSQUSNDFDXOI-LLVKDONJSA-N 0 1 269.373 3.542 20 0 CHADMN C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809044 260210008 /nfs/dbraw/zinc/21/00/08/260210008.db2.gz SZWBWQVTGDJRBT-VXGBXAGGSA-N 0 1 297.345 3.603 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809354 260210045 /nfs/dbraw/zinc/21/00/45/260210045.db2.gz SLTCCBIBLSCRFY-CHWSQXEVSA-N 0 1 295.810 3.978 20 0 CHADMN CCCOc1ccc([C@H](C)NCCF)cc1OCCC ZINC000312843602 260211822 /nfs/dbraw/zinc/21/18/22/260211822.db2.gz LCWCOJPJQOKUPZ-ZDUSSCGKSA-N 0 1 283.387 3.884 20 0 CHADMN Cn1cc(Cl)c(CN[C@H]2CCCC23CCCCC3)n1 ZINC000313022064 260236580 /nfs/dbraw/zinc/23/65/80/260236580.db2.gz AYAIOIGEOWSFNG-AWEZNQCLSA-N 0 1 281.831 3.666 20 0 CHADMN CC(C)n1cncc1CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000090207902 260238946 /nfs/dbraw/zinc/23/89/46/260238946.db2.gz NZIDGBXKSVJINE-NSHDSACASA-N 0 1 279.334 3.593 20 0 CHADMN CC(C)n1cncc1CN[C@H](C)c1cccc(Cl)c1 ZINC000090207628 260239447 /nfs/dbraw/zinc/23/94/47/260239447.db2.gz YBINUDITBPLXMZ-GFCCVEGCSA-N 0 1 277.799 3.968 20 0 CHADMN CC(=O)Nc1ccccc1CNCc1cccc(Cl)c1 ZINC000090735985 260261501 /nfs/dbraw/zinc/26/15/01/260261501.db2.gz ULZBUQLSOCAVKR-UHFFFAOYSA-N 0 1 288.778 3.588 20 0 CHADMN Cc1ccc(NS(=O)(=O)c2cccc(C)c2F)cc1C ZINC000313216714 260262565 /nfs/dbraw/zinc/26/25/65/260262565.db2.gz GUKDTOMILDMMLI-UHFFFAOYSA-N 0 1 293.363 3.552 20 0 CHADMN CCc1cnc(CN[C@@H](c2ccccc2)C2CC2)s1 ZINC000091349204 260265550 /nfs/dbraw/zinc/26/55/50/260265550.db2.gz NFMHHOOUVDVSGH-INIZCTEOSA-N 0 1 272.417 3.946 20 0 CHADMN CCN(Cc1cccs1)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000091781157 260266560 /nfs/dbraw/zinc/26/65/60/260266560.db2.gz WZEPYIMOQJIHCN-LLVKDONJSA-N 0 1 293.388 3.711 20 0 CHADMN C[N@@H+](Cc1csc(-c2ccc(F)cc2)n1)C1CCC1 ZINC000075840892 260291776 /nfs/dbraw/zinc/29/17/76/260291776.db2.gz AKNLRBLQRAZCRZ-UHFFFAOYSA-N 0 1 276.380 3.934 20 0 CHADMN CN(Cc1csc(-c2ccc(F)cc2)n1)C1CCC1 ZINC000075840892 260291778 /nfs/dbraw/zinc/29/17/78/260291778.db2.gz AKNLRBLQRAZCRZ-UHFFFAOYSA-N 0 1 276.380 3.934 20 0 CHADMN COc1ccccc1[C@H](C)NCc1c(C)nc2ccccn21 ZINC000317642812 260297148 /nfs/dbraw/zinc/29/71/48/260297148.db2.gz YTIKPWSWCLKHRN-ZDUSSCGKSA-N 0 1 295.386 3.502 20 0 CHADMN Cc1ccc2[nH]c(C[N@H+](C)[C@@H](CO)CC(C)C)cc2c1C ZINC000518010445 260334181 /nfs/dbraw/zinc/33/41/81/260334181.db2.gz NTLHUPWDDHDRGY-MRXNPFEDSA-N 0 1 288.435 3.624 20 0 CHADMN C[C@H](N[C@H]1C[C@H](C)CC[C@@H]1C)c1nc(C(C)(C)C)no1 ZINC000449278969 260345978 /nfs/dbraw/zinc/34/59/78/260345978.db2.gz NHKIVYCTMHSCKC-VOAKCMCISA-N 0 1 279.428 3.842 20 0 CHADMN C[C@@H](O)C[C@H]1CCCCN1Cc1cc(F)ccc1Cl ZINC000126467520 260352303 /nfs/dbraw/zinc/35/23/03/260352303.db2.gz YAENWYKNZHKIGE-BXUZGUMPSA-N 0 1 285.790 3.605 20 0 CHADMN CCC(CC)CN(CC)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000518240489 260360702 /nfs/dbraw/zinc/36/07/02/260360702.db2.gz ISGLMIQKSWNKTN-UHFFFAOYSA-N 0 1 289.379 3.568 20 0 CHADMN C[C@H](NCc1ccc(OC(F)F)cc1)c1cncs1 ZINC000128489693 260374823 /nfs/dbraw/zinc/37/48/23/260374823.db2.gz ZTWWSAFJBAVCPE-VIFPVBQESA-N 0 1 284.331 3.595 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@@H]1CCc2sc(Cl)cc21 ZINC000129709952 260388926 /nfs/dbraw/zinc/38/89/26/260388926.db2.gz ZOCQGFNTLBTJLL-GFCCVEGCSA-N 0 1 295.839 3.529 20 0 CHADMN Fc1ccccc1CNCc1cc(Cl)cs1 ZINC000086332120 260389159 /nfs/dbraw/zinc/38/91/59/260389159.db2.gz MAYQRSMGFNLEHA-UHFFFAOYSA-N 0 1 255.745 3.830 20 0 CHADMN CC(C)(C)OCCNCc1cccc(Cl)c1Cl ZINC000308754107 260394258 /nfs/dbraw/zinc/39/42/58/260394258.db2.gz VOZVTXRHLSKXGE-UHFFFAOYSA-N 0 1 276.207 3.898 20 0 CHADMN COC[C@H](N[C@H](c1cccc(C)c1)c1ccccn1)C(C)C ZINC000090946656 260469800 /nfs/dbraw/zinc/46/98/00/260469800.db2.gz XDLRSCYAIUMJOG-RBUKOAKNSA-N 0 1 298.430 3.740 20 0 CHADMN CCn1c(C)cc(C(=O)Nc2ccc3c(C)[nH]nc3c2)c1C ZINC000091834347 260486753 /nfs/dbraw/zinc/48/67/53/260486753.db2.gz HYNGORLWMHPAGV-UHFFFAOYSA-N 0 1 296.374 3.562 20 0 CHADMN C[C@@H](N[C@H]1CCCOc2ccccc21)c1cccnc1 ZINC000092743701 260500755 /nfs/dbraw/zinc/50/07/55/260500755.db2.gz ZHWHAAVJJHCHQH-CJNGLKHVSA-N 0 1 268.360 3.646 20 0 CHADMN C[C@H](COc1ccc(F)cc1F)N[C@@H](C)c1nccs1 ZINC000093400714 260516686 /nfs/dbraw/zinc/51/66/86/260516686.db2.gz JVWOKVWOUCBCDS-ZJUUUORDSA-N 0 1 298.358 3.539 20 0 CHADMN Cc1cc(F)ccc1[C@@H]1CCCN1Cc1cccnc1 ZINC000449735779 260827548 /nfs/dbraw/zinc/82/75/48/260827548.db2.gz VATOUXNKGYTKHQ-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cc(C)c2c(c1)[C@H](NCc1ccco1)CCCO2 ZINC000152046381 261059095 /nfs/dbraw/zinc/05/90/95/261059095.db2.gz OUKABTFNGBZSEU-MRXNPFEDSA-N 0 1 271.360 3.900 20 0 CHADMN COc1cc([C@@H](C)NCc2ccco2)ccc1SC ZINC000152044199 261059176 /nfs/dbraw/zinc/05/91/76/261059176.db2.gz OODMRCYOXNLZMQ-LLVKDONJSA-N 0 1 277.389 3.861 20 0 CHADMN CCCCc1noc(CN(C)[C@@H]2CCCC[C@@H]2CC)n1 ZINC000444673123 261062140 /nfs/dbraw/zinc/06/21/40/261062140.db2.gz HYEHGGIKEUKELV-UONOGXRCSA-N 0 1 279.428 3.813 20 0 CHADMN CC[C@@H](COC)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000152967264 261072220 /nfs/dbraw/zinc/07/22/20/261072220.db2.gz YEVUSTZHWBZLDR-OCCSQVGLSA-N 0 1 290.432 3.886 20 0 CHADMN Cc1nn(C)cc1CN1CCC[C@@H]1c1ccccc1Cl ZINC000153397680 261077837 /nfs/dbraw/zinc/07/78/37/261077837.db2.gz VZFHTNKQXOLLAA-MRXNPFEDSA-N 0 1 289.810 3.719 20 0 CHADMN C[C@H](N[C@@H]1CCCOC1)c1nc(-c2ccccc2)cs1 ZINC000153472896 261078811 /nfs/dbraw/zinc/07/88/11/261078811.db2.gz HVSJEPXDTRSJPL-GXTWGEPZSA-N 0 1 288.416 3.640 20 0 CHADMN CCc1ccc(CN[C@H](C)c2cncs2)s1 ZINC000156286033 261119384 /nfs/dbraw/zinc/11/93/84/261119384.db2.gz CZFDEEFEJVSGOG-SECBINFHSA-N 0 1 252.408 3.618 20 0 CHADMN CC(C)(C)CN(CCCO)Cc1ncc(C(C)(C)C)s1 ZINC000448344242 261121700 /nfs/dbraw/zinc/12/17/00/261121700.db2.gz NFTOTSWTXDXVQV-UHFFFAOYSA-N 0 1 298.496 3.671 20 0 CHADMN CC(C)CCc1noc(CN(C(C)C)C2CCCC2)n1 ZINC000173292305 261160255 /nfs/dbraw/zinc/16/02/55/261160255.db2.gz IZOWLMSYNHSATJ-UHFFFAOYSA-N 0 1 279.428 3.811 20 0 CHADMN CCC[C@]1(C)CCCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000173651910 261167545 /nfs/dbraw/zinc/16/75/45/261167545.db2.gz NBMOYOFXLBUEAA-QGZVFWFLSA-N 0 1 285.391 3.605 20 0 CHADMN Brc1ccc2nc(CN3CCCCC3)oc2c1 ZINC000361287282 261193410 /nfs/dbraw/zinc/19/34/10/261193410.db2.gz JBRZBEFPHAUNET-UHFFFAOYSA-N 0 1 295.180 3.576 20 0 CHADMN CO[C@@H](C)c1nc(CN(CC(C)C)C(C)C)cs1 ZINC000175130203 261209828 /nfs/dbraw/zinc/20/98/28/261209828.db2.gz SYOADCZVMIFWQR-LBPRGKRZSA-N 0 1 270.442 3.717 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1ccccc1F ZINC000464739108 261220775 /nfs/dbraw/zinc/22/07/75/261220775.db2.gz OIMDEHXJIHYHIC-XJKSGUPXSA-N 0 1 292.398 3.665 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1CC(=O)Nc1ccccc1F ZINC000464739108 261220777 /nfs/dbraw/zinc/22/07/77/261220777.db2.gz OIMDEHXJIHYHIC-XJKSGUPXSA-N 0 1 292.398 3.665 20 0 CHADMN CCCN(CCC)Cc1nc(Cc2ccccc2C)no1 ZINC000175578419 261234430 /nfs/dbraw/zinc/23/44/30/261234430.db2.gz BVTFBGAHEOYQIU-UHFFFAOYSA-N 0 1 287.407 3.591 20 0 CHADMN Cc1ccccc1CN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000464843965 261241027 /nfs/dbraw/zinc/24/10/27/261241027.db2.gz BKROIBUNCSDCAW-VQIMIIECSA-N 0 1 281.399 3.957 20 0 CHADMN Oc1ccc(Cl)cc1-c1nc([C@@H]2CCCS2)no1 ZINC000161650620 261255404 /nfs/dbraw/zinc/25/54/04/261255404.db2.gz PXCLUTNQRQICIT-JTQLQIEISA-N 0 1 282.752 3.664 20 0 CHADMN Cc1nc(CN(C)CCc2ccc(F)cc2)sc1C ZINC000176330610 261278369 /nfs/dbraw/zinc/27/83/69/261278369.db2.gz JXTROPKNNDRZST-UHFFFAOYSA-N 0 1 278.396 3.574 20 0 CHADMN CCS[C@H]1CC[C@H](N(C)Cc2nc(C)c(C)s2)C1 ZINC000176386564 261281195 /nfs/dbraw/zinc/28/11/95/261281195.db2.gz KFMMWWNRNGJGBV-STQMWFEESA-N 0 1 284.494 3.866 20 0 CHADMN CN(Cc1csc(N(C)C2CC2)n1)[C@@H]1CCC(C)(C)C1 ZINC000361468625 261282557 /nfs/dbraw/zinc/28/25/57/261282557.db2.gz HXTHVEBVZQMZRD-CQSZACIVSA-N 0 1 293.480 3.752 20 0 CHADMN Cc1nccc(CN2CC[C@@H](C)[C@H]2c2cccc(F)c2)n1 ZINC000368448622 261284548 /nfs/dbraw/zinc/28/45/48/261284548.db2.gz CNORMIKAUBNAFY-PXAZEXFGSA-N 0 1 285.366 3.507 20 0 CHADMN COc1ccc(CN2CCC[C@H]2c2cccs2)cc1O ZINC000162696034 261291397 /nfs/dbraw/zinc/29/13/97/261291397.db2.gz DSTFMJDYUBBHNX-ZDUSSCGKSA-N 0 1 289.400 3.799 20 0 CHADMN C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc(O)c(Cl)c1 ZINC000176609793 261299854 /nfs/dbraw/zinc/29/98/54/261299854.db2.gz IWPOTENHXGHXIC-WDEREUQCSA-N 0 1 281.783 3.696 20 0 CHADMN Cc1ccc(NC(=O)CN(C)[C@H](C)C2(C)CC2)c(Cl)c1 ZINC000177240507 261341609 /nfs/dbraw/zinc/34/16/09/261341609.db2.gz BTGYFHZQFDMMBY-GFCCVEGCSA-N 0 1 294.826 3.707 20 0 CHADMN COc1cccc([C@H](C)Sc2nc(C3CC3)n[nH]2)c1 ZINC000178000180 261375722 /nfs/dbraw/zinc/37/57/22/261375722.db2.gz MBTGCDOCLDIEMR-VIFPVBQESA-N 0 1 275.377 3.544 20 0 CHADMN COc1cccc([C@H](C)Sc2n[nH]c(C3CC3)n2)c1 ZINC000178000180 261375723 /nfs/dbraw/zinc/37/57/23/261375723.db2.gz MBTGCDOCLDIEMR-VIFPVBQESA-N 0 1 275.377 3.544 20 0 CHADMN C[C@H](NCc1cccc(F)c1F)c1ccc2c(c1)OCO2 ZINC000107038146 261375954 /nfs/dbraw/zinc/37/59/54/261375954.db2.gz ZDQHXSYJVQXJED-JTQLQIEISA-N 0 1 291.297 3.544 20 0 CHADMN CC(C)C[C@@H]1CCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000180104139 261421298 /nfs/dbraw/zinc/42/12/98/261421298.db2.gz XFOWVHNEYMTUMS-NSHDSACASA-N 0 1 281.783 3.554 20 0 CHADMN C[C@@H](NCCn1cccn1)c1cc(Cl)sc1Cl ZINC000180429547 261425462 /nfs/dbraw/zinc/42/54/62/261425462.db2.gz VKRFVUCHCXDJBW-MRVPVSSYSA-N 0 1 290.219 3.602 20 0 CHADMN CC[C@H](C)[C@H](C)[N@@H+](Cc1nccn1C(C)C)C1CC1 ZINC000171929032 335085239 /nfs/dbraw/zinc/08/52/39/335085239.db2.gz PINUMRZWSUZCOI-KBPBESRZSA-N 0 1 263.429 3.863 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1nccn1C(C)C)C1CC1 ZINC000171929032 335085240 /nfs/dbraw/zinc/08/52/40/335085240.db2.gz PINUMRZWSUZCOI-KBPBESRZSA-N 0 1 263.429 3.863 20 0 CHADMN C[C@H](NCCOC(C)(C)C)c1ccc(F)cc1Cl ZINC000183778322 261500673 /nfs/dbraw/zinc/50/06/73/261500673.db2.gz IRTBIJORBGSFLA-JTQLQIEISA-N 0 1 273.779 3.945 20 0 CHADMN C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccco1 ZINC000177939027 261720529 /nfs/dbraw/zinc/72/05/29/261720529.db2.gz HCMAKPYOYRQECK-KZULUSFZSA-N 0 1 299.370 3.853 20 0 CHADMN Cc1c([C@H](C)N[C@@H]2CC(C)(C)Cc3occc32)cnn1C ZINC000177959564 261721103 /nfs/dbraw/zinc/72/11/03/261721103.db2.gz GLYHWTKWFAJZGB-XHDPSFHLSA-N 0 1 287.407 3.686 20 0 CHADMN C[C@H](NCc1ccc(OC(C)(C)C)nc1)c1ccncc1 ZINC000180008964 261831293 /nfs/dbraw/zinc/83/12/93/261831293.db2.gz RONSRVFXXXRKJF-ZDUSSCGKSA-N 0 1 285.391 3.505 20 0 CHADMN Cc1cncc([C@H](C)N[C@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000184327070 262016905 /nfs/dbraw/zinc/01/69/05/262016905.db2.gz SQMWUAZGAUBNPS-ZYSHUDEJSA-N 0 1 296.414 3.961 20 0 CHADMN OCC[C@@H](NCc1cc2ccccc2s1)c1ccco1 ZINC000184501203 262021455 /nfs/dbraw/zinc/02/14/55/262021455.db2.gz YWEKJIXRRQHZAL-CQSZACIVSA-N 0 1 287.384 3.708 20 0 CHADMN Cc1cc(O)c(C(C)C)cc1NC(=O)c1cn[nH]c1C1CC1 ZINC000184514583 262022456 /nfs/dbraw/zinc/02/24/56/262022456.db2.gz MAWQDQGGGQFEAW-UHFFFAOYSA-N 0 1 299.374 3.677 20 0 CHADMN CC(=CC(C)(C)C)C(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000185159705 262043931 /nfs/dbraw/zinc/04/39/31/262043931.db2.gz LXAHFNWOEGHANA-HCRIHEDKSA-N 0 1 285.391 3.733 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2CCC[C@@H]1C)c1cnccn1 ZINC000185284677 262048528 /nfs/dbraw/zinc/04/85/28/262048528.db2.gz VYSVOUKJSALGIX-DEYYWGMASA-N 0 1 281.403 3.841 20 0 CHADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000518783074 262054796 /nfs/dbraw/zinc/05/47/96/262054796.db2.gz YENVLSMTYCAFIO-CABCVRRESA-N 0 1 287.384 3.711 20 0 CHADMN Oc1cc(F)cc(CN[C@H]2CCCOc3ccccc32)c1 ZINC000185503133 262056767 /nfs/dbraw/zinc/05/67/67/262056767.db2.gz GJCVPRKHZNOPRI-INIZCTEOSA-N 0 1 287.334 3.535 20 0 CHADMN CCOc1cccc([C@H](C)NCc2cc(O)cc(F)c2)c1 ZINC000185498944 262057014 /nfs/dbraw/zinc/05/70/14/262057014.db2.gz RDQCBIYLEXZABL-LBPRGKRZSA-N 0 1 289.350 3.781 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2cc(O)cc(F)c2)c1 ZINC000185498927 262057269 /nfs/dbraw/zinc/05/72/69/262057269.db2.gz RDQCBIYLEXZABL-GFCCVEGCSA-N 0 1 289.350 3.781 20 0 CHADMN CCc1nnc(SC[C@@H]2CCCc3ccccc32)[nH]1 ZINC000108953962 262075099 /nfs/dbraw/zinc/07/50/99/262075099.db2.gz GJDJPWUNNBIRPN-LBPRGKRZSA-N 0 1 273.405 3.579 20 0 CHADMN CCc1n[nH]c(SC[C@@H]2CCCc3ccccc32)n1 ZINC000108953962 262075101 /nfs/dbraw/zinc/07/51/01/262075101.db2.gz GJDJPWUNNBIRPN-LBPRGKRZSA-N 0 1 273.405 3.579 20 0 CHADMN OCC[C@@H](N[C@@H]1CCCCc2ccccc21)c1ccco1 ZINC000186530960 262097101 /nfs/dbraw/zinc/09/71/01/262097101.db2.gz LIUQBVVPOIFMBZ-IAGOWNOFSA-N 0 1 285.387 3.760 20 0 CHADMN CCC1(CC)CCN(Cc2nnc(-c3ccco3)o2)CC1 ZINC000186551905 262097738 /nfs/dbraw/zinc/09/77/38/262097738.db2.gz GKEFCCGVNGPMBT-UHFFFAOYSA-N 0 1 289.379 3.732 20 0 CHADMN CC[C@@H](N[C@H](CCO)c1ccco1)c1ccc(F)cc1 ZINC000186547297 262097811 /nfs/dbraw/zinc/09/78/11/262097811.db2.gz UHLCTZMNNFVDHM-HUUCEWRRSA-N 0 1 277.339 3.583 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](CCO)c2ccco2)c(C)c1 ZINC000186544026 262097821 /nfs/dbraw/zinc/09/78/21/262097821.db2.gz BDQPVJWFQWJXFM-GDBMZVCRSA-N 0 1 273.376 3.671 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](CCO)c2ccco2)cc1C ZINC000186547712 262098292 /nfs/dbraw/zinc/09/82/92/262098292.db2.gz XHXAQGSQGWJONO-ZBFHGGJFSA-N 0 1 273.376 3.671 20 0 CHADMN OCC[C@@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccco1 ZINC000186562813 262099287 /nfs/dbraw/zinc/09/92/87/262099287.db2.gz PZOIDCDGMRHBHF-LSDHHAIUSA-N 0 1 291.778 3.634 20 0 CHADMN FC(F)c1nc2cc(-c3nc(CC4CC4)no3)ccc2[nH]1 ZINC000525750344 262105765 /nfs/dbraw/zinc/10/57/65/262105765.db2.gz NHPJUOQRPJOIBU-UHFFFAOYSA-N 0 1 290.273 3.503 20 0 CHADMN Cc1occc1CN(C)CCC(=O)c1ccc(C)cc1 ZINC000053936550 262150726 /nfs/dbraw/zinc/15/07/26/262150726.db2.gz PRUUXUQGBJHUAS-UHFFFAOYSA-N 0 1 271.360 3.601 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2cncc(F)c2)c(C)o1 ZINC000119419062 262161838 /nfs/dbraw/zinc/16/18/38/262161838.db2.gz FHJYLFGZRRMCKC-WDEREUQCSA-N 0 1 262.328 3.842 20 0 CHADMN CC[C@@H]1CCCC[C@H]1N(C)Cc1nc(C(C)C)no1 ZINC000189258842 262169841 /nfs/dbraw/zinc/16/98/41/262169841.db2.gz KSGPWUKDGYLPCM-CHWSQXEVSA-N 0 1 265.401 3.594 20 0 CHADMN CCOC1(CNc2ccnc(C)c2Cl)CCCC1 ZINC000310855160 262176853 /nfs/dbraw/zinc/17/68/53/262176853.db2.gz MWIYXGLURYFGRV-UHFFFAOYSA-N 0 1 268.788 3.805 20 0 CHADMN c1ccc2c(c1)cccc2-c1noc([C@@H]2CCCCN2)n1 ZINC000054438362 262269436 /nfs/dbraw/zinc/26/94/36/262269436.db2.gz PDYIGJZKYHIAJW-HNNXBMFYSA-N 0 1 279.343 3.704 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@H](C)c1cncc(F)c1 ZINC000221768167 262295760 /nfs/dbraw/zinc/29/57/60/262295760.db2.gz MZADYHWUPHUWRS-VXGBXAGGSA-N 0 1 274.339 3.641 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3[C@H](C)CC[C@H]3C)n[nH]2)c(C)c1 ZINC000186326677 262314371 /nfs/dbraw/zinc/31/43/71/262314371.db2.gz YTZMUUUAFMXJOK-ZIAGYGMSSA-N 0 1 297.402 3.707 20 0 CHADMN CCN(CCOCC(F)F)Cc1ccc(Cl)s1 ZINC000188581651 262319381 /nfs/dbraw/zinc/31/93/81/262319381.db2.gz OVJKIUYWGULACK-UHFFFAOYSA-N 0 1 283.771 3.505 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H](C)c1ccc(F)cc1 ZINC000187018119 262334763 /nfs/dbraw/zinc/33/47/63/262334763.db2.gz QPJPAXRSBCBQSO-VXGBXAGGSA-N 0 1 274.339 3.641 20 0 CHADMN CCc1nc(C)c(CNc2ccnc(C)c2Cl)o1 ZINC000311733336 262339794 /nfs/dbraw/zinc/33/97/94/262339794.db2.gz DRQBXGYXQARHKR-UHFFFAOYSA-N 0 1 265.744 3.514 20 0 CHADMN Cc1cc(C(=O)CSc2nc3ccc(C)cc3[nH]2)c(C)[nH]1 ZINC000023446766 262357599 /nfs/dbraw/zinc/35/75/99/262357599.db2.gz HWOITDLOABHJIL-UHFFFAOYSA-N 0 1 299.399 3.791 20 0 CHADMN Cc1csc([C@@H](C)N[C@H]2C=CCCCCC2)n1 ZINC000393959180 262377674 /nfs/dbraw/zinc/37/76/74/262377674.db2.gz OGSVHFFPYGTLDZ-OLZOCXBDSA-N 0 1 250.411 3.991 20 0 CHADMN CC(C)n1ccc(CN2CC[C@](C)(c3ccccc3)C2)n1 ZINC000446732436 262380729 /nfs/dbraw/zinc/38/07/29/262380729.db2.gz RHQZACPNORPHNO-SFHVURJKSA-N 0 1 283.419 3.628 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1ccnc(C)c1 ZINC000391188368 262387653 /nfs/dbraw/zinc/38/76/53/262387653.db2.gz UHCXAOWSTSBOPM-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN C[C@H](NCc1cnn(-c2ccccc2)c1)c1ccsc1 ZINC000061360645 262394568 /nfs/dbraw/zinc/39/45/68/262394568.db2.gz FGAUGNRBPYZOEZ-ZDUSSCGKSA-N 0 1 283.400 3.785 20 0 CHADMN CCn1cc([C@@H](C)NCc2cnc3ccc(C)cc3c2)cn1 ZINC000411795718 262706641 /nfs/dbraw/zinc/70/66/41/262706641.db2.gz FIRAFPBRAIVSKO-CQSZACIVSA-N 0 1 294.402 3.610 20 0 CHADMN Cc1cccc(C)c1[C@H](C)N[C@H](C)c1cc2n(n1)CCC2 ZINC000414125668 262807555 /nfs/dbraw/zinc/80/75/55/262807555.db2.gz CYGJOVFSVMOCGK-CABCVRRESA-N 0 1 283.419 3.858 20 0 CHADMN Cc1ncc(CN[C@@H]2C[C@@H](C(C)C)c3ccccc32)o1 ZINC000414177824 262814464 /nfs/dbraw/zinc/81/44/64/262814464.db2.gz JHRUWJDKPSYTBK-DLBZAZTESA-N 0 1 270.376 3.957 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H](c2ccccc2)C1)c1csnn1 ZINC000414296817 262838893 /nfs/dbraw/zinc/83/88/93/262838893.db2.gz GXDQPQTUQQEIFV-IACUBPJLSA-N 0 1 273.405 3.525 20 0 CHADMN COc1ncc([C@H](C)N[C@@H]2CCCC[C@H]2F)cc1Cl ZINC000414312742 262841631 /nfs/dbraw/zinc/84/16/31/262841631.db2.gz OBPCUKKSLMICGL-ZWKOPEQDSA-N 0 1 286.778 3.675 20 0 CHADMN COc1ccc(CNCc2ccoc2C)c(C(F)(F)F)c1 ZINC000414332206 262845311 /nfs/dbraw/zinc/84/53/11/262845311.db2.gz DXBKCLLVFVNYOE-UHFFFAOYSA-N 0 1 299.292 3.905 20 0 CHADMN C[C@H]1CCc2nc(CN[C@@H]3C[C@H]3c3ccco3)sc2C1 ZINC000414583927 263000125 /nfs/dbraw/zinc/00/01/25/263000125.db2.gz MKPVWIDRDGJPPI-DMDPSCGWSA-N 0 1 288.416 3.507 20 0 CHADMN COCC[C@H](NCc1sccc1C)c1ccco1 ZINC000272569178 263006807 /nfs/dbraw/zinc/00/68/07/263006807.db2.gz OHQWOLRMVPEMDA-LBPRGKRZSA-N 0 1 265.378 3.517 20 0 CHADMN Cc1[nH]c2ccc(-c3nc(C4(N)CCCC4)no3)cc2c1C ZINC000414610961 263009586 /nfs/dbraw/zinc/00/95/86/263009586.db2.gz BVPCBYVXUPZLEO-UHFFFAOYSA-N 0 1 296.374 3.563 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2ccc(F)c(Cl)c2)n1 ZINC000414617304 263010915 /nfs/dbraw/zinc/01/09/15/263010915.db2.gz LCACIIHWMKTYRH-LLVKDONJSA-N 0 1 283.734 3.575 20 0 CHADMN Cc1cccc(Cc2nc([C@@H](N)CC(C)C)no2)c1Cl ZINC000414620047 263013174 /nfs/dbraw/zinc/01/31/74/263013174.db2.gz PCJCEGUHLALGPT-LBPRGKRZSA-N 0 1 293.798 3.668 20 0 CHADMN NC1(c2noc(-c3cccc(C4CCC4)c3)n2)CCCC1 ZINC000414622621 263014762 /nfs/dbraw/zinc/01/47/62/263014762.db2.gz CDMGTLOZPMXDLB-UHFFFAOYSA-N 0 1 283.375 3.732 20 0 CHADMN Cc1cc(C)cc(/C=C\c2nc([C@H](N)CC(C)C)no2)c1 ZINC000414624785 263014915 /nfs/dbraw/zinc/01/49/15/263014915.db2.gz VZGKWVVKRLFGPS-IYKSTZQJSA-N 0 1 285.391 3.903 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cc3ccccc3cc2O)n1 ZINC000414626469 263016379 /nfs/dbraw/zinc/01/63/79/263016379.db2.gz XWAKGIIDCXZTBD-CQSZACIVSA-N 0 1 297.358 3.641 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cc2ccccc2s1 ZINC000414670936 263029335 /nfs/dbraw/zinc/02/93/35/263029335.db2.gz AGTRCRPXIXHYBW-LLVKDONJSA-N 0 1 277.389 3.586 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(C2CCC2)cc1 ZINC000414687673 263032566 /nfs/dbraw/zinc/03/25/66/263032566.db2.gz XGJAAECRPMRVFW-CYBMUJFWSA-N 0 1 275.392 3.639 20 0 CHADMN CCc1ccc(CN(CC)[C@H](C)c2cccnc2)o1 ZINC000290447412 263116784 /nfs/dbraw/zinc/11/67/84/263116784.db2.gz MFBFTPSSWWAZJB-CYBMUJFWSA-N 0 1 258.365 3.820 20 0 CHADMN Cc1cc([C@H](C)NC[C@@H](C)Sc2ccccc2)no1 ZINC000290614550 263117941 /nfs/dbraw/zinc/11/79/41/263117941.db2.gz IDMQIRPWJHXKSY-OLZOCXBDSA-N 0 1 276.405 3.814 20 0 CHADMN CC(C)c1ccc([C@H]2CCCN2C(=O)c2cnc[nH]2)cc1 ZINC000340439306 263148408 /nfs/dbraw/zinc/14/84/08/263148408.db2.gz KBRCIRYKFNYJFG-MRXNPFEDSA-N 0 1 283.375 3.510 20 0 CHADMN Cc1cc([C@H](C)NC[C@@]2(C)C[C@@H]2c2ccccc2)no1 ZINC000340439324 263148750 /nfs/dbraw/zinc/14/87/50/263148750.db2.gz KLMHYRDODJELIQ-YSVLISHTSA-N 0 1 270.376 3.827 20 0 CHADMN Cc1ncsc1CN1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000295068036 263171723 /nfs/dbraw/zinc/17/17/23/263171723.db2.gz QSHVHEDZDFXQFZ-WCBMZHEXSA-N 0 1 278.343 3.614 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2N[C@@H]1COCc2ccccc21 ZINC000340516779 263183619 /nfs/dbraw/zinc/18/36/19/263183619.db2.gz AUSOYFKSUALJFV-QZTJIDSGSA-N 0 1 283.346 3.674 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2N[C@H]1COCc2ccccc21 ZINC000340516778 263183723 /nfs/dbraw/zinc/18/37/23/263183723.db2.gz AUSOYFKSUALJFV-MSOLQXFVSA-N 0 1 283.346 3.674 20 0 CHADMN Fc1ccc2c(c1)OCCC[C@@H]2N[C@@H]1CCC[C@@H]1F ZINC000340529442 263185791 /nfs/dbraw/zinc/18/57/91/263185791.db2.gz JOQFSLPQWZQCHT-MELADBBJSA-N 0 1 267.319 3.520 20 0 CHADMN Fc1ccc2c(c1)OCCC[C@@H]2N[C@H]1CCC[C@@H]1F ZINC000340529433 263186056 /nfs/dbraw/zinc/18/60/56/263186056.db2.gz JOQFSLPQWZQCHT-IHRRRGAJSA-N 0 1 267.319 3.520 20 0 CHADMN CC[C@H](N[C@H](CO)c1cccc(F)c1)c1ccsc1 ZINC000453144315 263195506 /nfs/dbraw/zinc/19/55/06/263195506.db2.gz MDDJBUUYWMHAGE-LSDHHAIUSA-N 0 1 279.380 3.662 20 0 CHADMN CO[C@@H]([C@H](C)N[C@H](C)c1csc(C(C)C)n1)C1CC1 ZINC000453378322 263254981 /nfs/dbraw/zinc/25/49/81/263254981.db2.gz QKDBUPXDXQMCBP-SUNKGSAMSA-N 0 1 282.453 3.731 20 0 CHADMN CCc1ncc(CN[C@H](C)c2cc3c(s2)CCC3)o1 ZINC000453398722 263263627 /nfs/dbraw/zinc/26/36/27/263263627.db2.gz XHODPMPUNNPJBH-SNVBAGLBSA-N 0 1 276.405 3.638 20 0 CHADMN CC[C@H](N[C@@H](C)c1nccnc1C)c1cccs1 ZINC000187848233 263271525 /nfs/dbraw/zinc/27/15/25/263271525.db2.gz FSVGAUMILUHEFR-RYUDHWBXSA-N 0 1 261.394 3.648 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N1CC[C@@H](C2CC2)C1 ZINC000341902727 263365508 /nfs/dbraw/zinc/36/55/08/263365508.db2.gz NESAPVSIOITOTG-IUODEOHRSA-N 0 1 283.375 3.530 20 0 CHADMN Cc1cc(C)n(CCN[C@H](C)c2c(F)cccc2Cl)n1 ZINC000342341417 263423322 /nfs/dbraw/zinc/42/33/22/263423322.db2.gz QKPKVBKVNICUKX-GFCCVEGCSA-N 0 1 295.789 3.643 20 0 CHADMN Cc1cccc(CN2CCc3ccccc3[C@H]2C)n1 ZINC000342586309 263452023 /nfs/dbraw/zinc/45/20/23/263452023.db2.gz JPXJHCVAQQERSK-CQSZACIVSA-N 0 1 252.361 3.509 20 0 CHADMN CCC1CCN(Cc2nc(C3CC3)cs2)CC1 ZINC000342765636 263493597 /nfs/dbraw/zinc/49/35/97/263493597.db2.gz PKJSTJVRQKGTCQ-UHFFFAOYSA-N 0 1 250.411 3.643 20 0 CHADMN Fc1ccc(CN[C@H]2CCCc3ccc(F)cc32)nc1 ZINC000334379087 263605994 /nfs/dbraw/zinc/60/59/94/263605994.db2.gz YHVUXCJXSHKQCB-INIZCTEOSA-N 0 1 274.314 3.527 20 0 CHADMN Cc1cnc([C@H](C)N2CC[C@H](c3cccc(F)c3)C2)o1 ZINC000334448818 263634228 /nfs/dbraw/zinc/63/42/28/263634228.db2.gz JGMQEPWNSOUDDM-JSGCOSHPSA-N 0 1 274.339 3.673 20 0 CHADMN C[C@H](N[C@@H](C)c1cnccn1)c1ccc(C2CC2)cc1 ZINC000417351870 263798752 /nfs/dbraw/zinc/79/87/52/263798752.db2.gz DQGAYAJRZXELBS-STQMWFEESA-N 0 1 267.376 3.766 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H]2CCCC[C@H]2C)c1 ZINC000424841813 263826173 /nfs/dbraw/zinc/82/61/73/263826173.db2.gz ZZWAWKXSMHWMHI-DGCLKSJQSA-N 0 1 289.375 3.750 20 0 CHADMN CC(C)n1cncc1CN1CCCC[C@H]1c1cccn1C ZINC000425342150 264009642 /nfs/dbraw/zinc/00/96/42/264009642.db2.gz YGMYZOLORKLSRM-KRWDZBQOSA-N 0 1 286.423 3.530 20 0 CHADMN CCCOc1cc(CN2CC(CC(F)F)C2)ccc1OC ZINC000425350077 264025020 /nfs/dbraw/zinc/02/50/20/264025020.db2.gz DYJVHUPDTQGZAE-UHFFFAOYSA-N 0 1 299.361 3.571 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)CC1CCC(C)CC1 ZINC000330733268 264037410 /nfs/dbraw/zinc/03/74/10/264037410.db2.gz KKEKDTZBJPFVTB-UHFFFAOYSA-N 0 1 285.338 3.811 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@H](C)CC2CCCC2)c1 ZINC000330781822 264052956 /nfs/dbraw/zinc/05/29/56/264052956.db2.gz GFWIBKSRALEKNG-LLVKDONJSA-N 0 1 289.375 3.750 20 0 CHADMN FC(F)CC1CN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000425367325 264212216 /nfs/dbraw/zinc/21/22/16/264212216.db2.gz SKPYFQANXUVWPY-UHFFFAOYSA-N 0 1 279.252 3.792 20 0 CHADMN COc1cnccc1[C@H](C)NCc1c(C)oc2ccccc21 ZINC000189009520 264268169 /nfs/dbraw/zinc/26/81/69/264268169.db2.gz QNWCBBPGGUWPAM-LBPRGKRZSA-N 0 1 296.370 3.996 20 0 CHADMN CC[C@H](C)[C@@H](C)NCc1noc(-c2ccc(F)cc2F)n1 ZINC000189165208 264281454 /nfs/dbraw/zinc/28/14/54/264281454.db2.gz CHPZPYRROTWEFY-VHSXEESVSA-N 0 1 295.333 3.539 20 0 CHADMN COc1cnccc1[C@H](C)NCc1ccc(Cl)s1 ZINC000189562037 264307770 /nfs/dbraw/zinc/30/77/70/264307770.db2.gz CYIPLNOCVRQMJM-VIFPVBQESA-N 0 1 282.796 3.656 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](C)c2cc3ccc(C)cc3o2)n[nH]1 ZINC000426015111 264309046 /nfs/dbraw/zinc/30/90/46/264309046.db2.gz FJNHLKKJYPTXPW-NWDGAFQWSA-N 0 1 298.390 3.834 20 0 CHADMN C[C@@H]([C@H](C)NCc1nc(C(F)F)no1)C1CCCCC1 ZINC000425431746 264321717 /nfs/dbraw/zinc/32/17/17/264321717.db2.gz IXWHTIBRPIKYQS-UWVGGRQHSA-N 0 1 287.354 3.702 20 0 CHADMN CC[C@@H](CCO)CNc1cc(C)nc2ccc(F)cc21 ZINC000129470756 264324949 /nfs/dbraw/zinc/32/49/49/264324949.db2.gz YLWWYRPPGYRCHC-LBPRGKRZSA-N 0 1 276.355 3.503 20 0 CHADMN C[C@H](C(=O)Nc1cc(Cl)c(O)cc1F)C1CCC1 ZINC000334500748 264333256 /nfs/dbraw/zinc/33/32/56/264333256.db2.gz UJOQCODLKQSBPO-ZETCQYMHSA-N 0 1 271.719 3.559 20 0 CHADMN C[C@@H](NCC1CCCC1)c1nc(C2CCCCC2)no1 ZINC000180084874 264390980 /nfs/dbraw/zinc/39/09/80/264390980.db2.gz IIGQAVYWNVPNOF-GFCCVEGCSA-N 0 1 277.412 3.958 20 0 CHADMN Cc1csc([C@@H](C)N[C@H]2CCc3ccccc32)n1 ZINC000080270671 264392011 /nfs/dbraw/zinc/39/20/11/264392011.db2.gz ALVYGGRYYWKTDY-RISCZKNCSA-N 0 1 258.390 3.790 20 0 CHADMN CC[C@H](C)CN[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000180241764 264394885 /nfs/dbraw/zinc/39/48/85/264394885.db2.gz WAHQVPXVAJZOGE-RYUDHWBXSA-N 0 1 265.401 3.814 20 0 CHADMN CCO[C@H]1C[C@H](NCc2nc(C)sc2C)C12CCCC2 ZINC000344295384 265056495 /nfs/dbraw/zinc/05/64/95/265056495.db2.gz KAXNSORWQJTDLE-GJZGRUSLSA-N 0 1 294.464 3.587 20 0 CHADMN CCCCCN(Cc1nnc(C2CC2)n1C)[C@H](C)CCC ZINC000195111831 265058541 /nfs/dbraw/zinc/05/85/41/265058541.db2.gz LJRGQVLRKTUZKK-CQSZACIVSA-N 0 1 292.471 3.873 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ncccc2C)cc1F ZINC000094837992 265263287 /nfs/dbraw/zinc/26/32/87/265263287.db2.gz GMWXWXXJYYFNLN-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN C[C@H]1CN(Cc2ccc(-c3ccccc3)cc2)CCO1 ZINC000096999568 265396940 /nfs/dbraw/zinc/39/69/40/265396940.db2.gz OSQJLJQFWJXZND-HNNXBMFYSA-N 0 1 267.372 3.574 20 0 CHADMN CC(C)Oc1cccc([C@H](C)N[C@H](C)c2ccnn2C)c1 ZINC000192248390 265896000 /nfs/dbraw/zinc/89/60/00/265896000.db2.gz LOKZQTQKGHKBJY-UONOGXRCSA-N 0 1 287.407 3.619 20 0 CHADMN Cc1oc2ccccc2c1CN1CCO[C@@H](C(C)C)C1 ZINC000353165789 266035237 /nfs/dbraw/zinc/03/52/37/266035237.db2.gz VFYLFTCXJPHBNQ-QGZVFWFLSA-N 0 1 273.376 3.598 20 0 CHADMN CCCN1CCC[C@H]1C(=O)Nc1cccc(SCC)c1 ZINC000356372957 266104051 /nfs/dbraw/zinc/10/40/51/266104051.db2.gz ZFEMWANRPHEBJI-HNNXBMFYSA-N 0 1 292.448 3.612 20 0 CHADMN CN(Cc1cscc1C(F)(F)F)[C@H]1CC1(C)C ZINC000356399717 266107999 /nfs/dbraw/zinc/10/79/99/266107999.db2.gz SWZUMNXVSFEEIO-JTQLQIEISA-N 0 1 263.328 3.997 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@H](c1cccnc1)C1CC1 ZINC000356852349 266190839 /nfs/dbraw/zinc/19/08/39/266190839.db2.gz RJPNYAGHXHWUAZ-UGSOOPFHSA-N 0 1 281.403 3.841 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccnc(SC)c1 ZINC000356865040 266196945 /nfs/dbraw/zinc/19/69/45/266196945.db2.gz LAGKHDHWHRPXPF-GFCCVEGCSA-N 0 1 287.432 3.612 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccccc1COC ZINC000356879385 266202569 /nfs/dbraw/zinc/20/25/69/266202569.db2.gz SVNQMBVLUSYOTN-CQSZACIVSA-N 0 1 284.403 3.641 20 0 CHADMN Cc1noc(C)c1CNCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000356893788 266207635 /nfs/dbraw/zinc/20/76/35/266207635.db2.gz MBTCSHOEFWCWPO-UHFFFAOYSA-N 0 1 297.402 3.988 20 0 CHADMN CCS[C@@H]1CCCCN([C@@H](C)c2ncc(C)o2)C1 ZINC000357005080 266230809 /nfs/dbraw/zinc/23/08/09/266230809.db2.gz QUESIGAWHZLAOI-QWHCGFSZSA-N 0 1 268.426 3.652 20 0 CHADMN Cc1ccccc1Cc1nnc(CN(C)[C@@H](C)C2CCC2)o1 ZINC000357036534 266236383 /nfs/dbraw/zinc/23/63/83/266236383.db2.gz KTLKEPSWVBWDCE-AWEZNQCLSA-N 0 1 299.418 3.589 20 0 CHADMN CC[C@@H](C)c1cc(C(=O)Nc2ccc3nc(C)[nH]c3c2)on1 ZINC000357036202 266236481 /nfs/dbraw/zinc/23/64/81/266236481.db2.gz WXJUNSIVDYBIKJ-SECBINFHSA-N 0 1 298.346 3.625 20 0 CHADMN CCO[C@H](C)c1nc(CN(C)[C@@H](C)C2CCC2)cs1 ZINC000357045994 266238223 /nfs/dbraw/zinc/23/82/23/266238223.db2.gz XJOCUOOVFLVTHC-NWDGAFQWSA-N 0 1 282.453 3.861 20 0 CHADMN CCCc1nc(CN2CCC[C@@H](C)CC2)cs1 ZINC000357098200 266247459 /nfs/dbraw/zinc/24/74/59/266247459.db2.gz BBULHIQWGJDRPJ-GFCCVEGCSA-N 0 1 252.427 3.718 20 0 CHADMN CC[C@H]1CCCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000357183996 266260576 /nfs/dbraw/zinc/26/05/76/266260576.db2.gz SZNOCDAARDFATQ-AWEZNQCLSA-N 0 1 261.413 3.620 20 0 CHADMN CCCN(Cc1ncc(C)s1)[C@H]1C[C@H](OCC)C1(C)C ZINC000357309233 266273956 /nfs/dbraw/zinc/27/39/56/266273956.db2.gz QAAUHMBCLSWPIK-KBPBESRZSA-N 0 1 296.480 3.867 20 0 CHADMN C[C@H]1CC(C(=O)Nc2ccc3nc[nH]c3c2)C[C@H](C)C1 ZINC000357348763 266282038 /nfs/dbraw/zinc/28/20/38/266282038.db2.gz SBTLZYYJUNJLSI-GHMZBOCLSA-N 0 1 271.364 3.574 20 0 CHADMN CSc1cc(CNCc2ccc(Cl)cc2)ccn1 ZINC000357381321 266286268 /nfs/dbraw/zinc/28/62/68/266286268.db2.gz ZIFMMJTZGXQJBY-UHFFFAOYSA-N 0 1 278.808 3.747 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1nc2c(cccc2F)n1CC ZINC000357555648 266323623 /nfs/dbraw/zinc/32/36/23/266323623.db2.gz TYFLYXKTOTWKRF-CHWSQXEVSA-N 0 1 289.398 3.958 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000357776557 266359562 /nfs/dbraw/zinc/35/95/62/266359562.db2.gz DKLXREFEVIEJAS-KFKAGJAMSA-N 0 1 296.414 3.961 20 0 CHADMN Cc1n[nH]cc1CN1CCc2ccc(C(C)(C)C)cc2C1 ZINC000358804438 266493988 /nfs/dbraw/zinc/49/39/88/266493988.db2.gz WGTJAWMGTVZZII-UHFFFAOYSA-N 0 1 283.419 3.574 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(Cl)cc2)C2CC2)ncn1 ZINC000359291041 266560481 /nfs/dbraw/zinc/56/04/81/266560481.db2.gz DCFDKUPAHJXPCH-INIZCTEOSA-N 0 1 287.794 3.679 20 0 CHADMN CSc1ccc(CN[C@@H](C)c2cncs2)cc1 ZINC000360579111 266725643 /nfs/dbraw/zinc/72/56/43/266725643.db2.gz JBNFIXAQQSPVMH-JTQLQIEISA-N 0 1 264.419 3.716 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2cc(C)ccc2C)nn1C ZINC000362947861 267065520 /nfs/dbraw/zinc/06/55/20/267065520.db2.gz DHEQRIOBMXPPQD-SFHVURJKSA-N 0 1 283.419 3.682 20 0 CHADMN COc1ncccc1CN(C)[C@H](C)c1ccccc1C ZINC000362962155 267067040 /nfs/dbraw/zinc/06/70/40/267067040.db2.gz AHPXKCNLDADBFB-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@@H]1NCc1cc2ccccc2[nH]1 ZINC000367402716 267075404 /nfs/dbraw/zinc/07/54/04/267075404.db2.gz SZOYIORSRMIGDZ-KPZWWZAWSA-N 0 1 278.355 3.780 20 0 CHADMN c1cc(-c2noc(CN3CCC4(CCC4)CC3)n2)cs1 ZINC000367583296 267101809 /nfs/dbraw/zinc/10/18/09/267101809.db2.gz CBBBSALYUMURLC-UHFFFAOYSA-N 0 1 289.404 3.564 20 0 CHADMN c1nc([C@@H]2CCCO2)sc1CN1CCC2(CCC2)CC1 ZINC000367692446 267109561 /nfs/dbraw/zinc/10/95/61/267109561.db2.gz ZOEDGQRDUQXFKF-AWEZNQCLSA-N 0 1 292.448 3.761 20 0 CHADMN CC1(C)CN(Cc2cc3ccccc3[nH]2)[C@H]1[C@@H]1CCCO1 ZINC000367945339 267129532 /nfs/dbraw/zinc/12/95/32/267129532.db2.gz VZODFKQHMQUWID-IRXDYDNUSA-N 0 1 284.403 3.557 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000368082482 267144867 /nfs/dbraw/zinc/14/48/67/267144867.db2.gz WDSXQXFHKBQSOP-AWEZNQCLSA-N 0 1 292.386 3.631 20 0 CHADMN CC(C(=O)Nc1cccc2c1CN(C1CC1)C2)=C1CCCC1 ZINC000368831395 267207910 /nfs/dbraw/zinc/20/79/10/267207910.db2.gz AEHROYCLOBAGND-UHFFFAOYSA-N 0 1 296.414 3.994 20 0 CHADMN C[C@@H]1[C@H](C)CN(Cc2cnc(C(F)(F)F)s2)[C@H]1C ZINC000418119170 267261121 /nfs/dbraw/zinc/26/11/21/267261121.db2.gz GCOKBTQCFNLPKM-HLTSFMKQSA-N 0 1 278.343 3.638 20 0 CHADMN CC(C)CN(C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000370044594 267285956 /nfs/dbraw/zinc/28/59/56/267285956.db2.gz FJJJXQNQEIHZNP-UHFFFAOYSA-N 0 1 262.328 3.569 20 0 CHADMN CC(C)C[N@@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000370044594 267285954 /nfs/dbraw/zinc/28/59/54/267285954.db2.gz FJJJXQNQEIHZNP-UHFFFAOYSA-N 0 1 262.328 3.569 20 0 CHADMN CCOc1ccc(CN2CCCC[C@@H]2c2ccnn2C)cc1 ZINC000370202385 267298321 /nfs/dbraw/zinc/29/83/21/267298321.db2.gz UWKZQSMBGDQMFU-GOSISDBHSA-N 0 1 299.418 3.546 20 0 CHADMN CCCC[C@H](CC)CC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000370631893 267332741 /nfs/dbraw/zinc/33/27/41/267332741.db2.gz UJONPNLXSPEIPZ-AWEZNQCLSA-N 0 1 291.439 3.722 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1nc2ccc(F)cc2o1 ZINC000119521983 267344015 /nfs/dbraw/zinc/34/40/15/267344015.db2.gz WZVPYWCYFJSTKM-WDEREUQCSA-N 0 1 262.328 3.587 20 0 CHADMN COCCCCN(C)Cc1nc(-c2ccccc2)cs1 ZINC000418133576 267359183 /nfs/dbraw/zinc/35/91/83/267359183.db2.gz KUJVZKNHJPGSIB-UHFFFAOYSA-N 0 1 290.432 3.669 20 0 CHADMN Cc1nn(C)c(C)c1CN(Cc1ccc(C)c(C)c1)C1CC1 ZINC000120468787 267461285 /nfs/dbraw/zinc/46/12/85/267461285.db2.gz AIHSXINBILWLGY-UHFFFAOYSA-N 0 1 297.446 3.818 20 0 CHADMN Cc1ccc(CN(C)[C@@H](C)c2ccc(F)cc2)cn1 ZINC000121964246 267781650 /nfs/dbraw/zinc/78/16/50/267781650.db2.gz MAGGPEGEJWERIY-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN CCCOc1ccc(NC(=O)c2cccc3nc[nH]c32)cc1 ZINC000123161815 268003864 /nfs/dbraw/zinc/00/38/64/268003864.db2.gz VOXPQRZVTKUDFX-UHFFFAOYSA-N 0 1 295.342 3.604 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1[C@H](C)CC[C@H]1C ZINC000123228746 268017177 /nfs/dbraw/zinc/01/71/77/268017177.db2.gz XRICHBGLEAGOJA-VXGBXAGGSA-N 0 1 275.371 3.568 20 0 CHADMN CC(C)(C)c1nc(CN[C@@H]2CCC2(C)C)cs1 ZINC000379790437 335089360 /nfs/dbraw/zinc/08/93/60/335089360.db2.gz JXFZXAZUGJRQDB-LLVKDONJSA-N 0 1 252.427 3.719 20 0 CHADMN C[C@H](NCc1ccc(Cl)c(Cl)c1)c1cn[nH]c1 ZINC000229882994 327673058 /nfs/dbraw/zinc/67/30/58/327673058.db2.gz CSUXAFUKAAFQIR-QMMMGPOBSA-N 0 1 270.163 3.567 20 0 CHADMN CSc1ccc(CN2CCC(OC(C)C)CC2)s1 ZINC000574968571 327673564 /nfs/dbraw/zinc/67/35/64/327673564.db2.gz VHHQKJAVZOFQPE-UHFFFAOYSA-N 0 1 285.478 3.859 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1ccn(C2CCCC2)n1 ZINC000357300849 328868493 /nfs/dbraw/zinc/86/84/93/328868493.db2.gz HZFCXAXXUNQGPE-ZIAGYGMSSA-N 0 1 261.413 3.761 20 0 CHADMN Cc1noc(C[C@@H](N[C@@H](C)c2ccoc2)c2ccccc2)n1 ZINC000580273269 327755166 /nfs/dbraw/zinc/75/51/66/327755166.db2.gz YWKJQNALPWZFNM-BLLLJJGKSA-N 0 1 297.358 3.606 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](C)c1cncc(C)c1 ZINC000184387905 327827382 /nfs/dbraw/zinc/82/73/82/327827382.db2.gz GYHBLGGYQYXOIE-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN COC[C@H](NCc1ccc(C)c(F)c1)c1ccccc1 ZINC000582078490 327835015 /nfs/dbraw/zinc/83/50/15/327835015.db2.gz MPBIGSPVPROUPB-KRWDZBQOSA-N 0 1 273.351 3.611 20 0 CHADMN Cc1nn(C)cc1[C@@H]1CCCN1c1ccnc2ccccc21 ZINC000363922495 327834315 /nfs/dbraw/zinc/83/43/15/327834315.db2.gz QJQPPPUNZCGZGA-KRWDZBQOSA-N 0 1 292.386 3.618 20 0 CHADMN COC[C@@H](NCc1cc(C)ccc1C)c1ccc(F)cc1 ZINC000531444561 327908107 /nfs/dbraw/zinc/90/81/07/327908107.db2.gz DWAJCVHGYLNNGP-GOSISDBHSA-N 0 1 287.378 3.920 20 0 CHADMN CS[C@H](C)CN[C@@H](C)c1csc(C(C)C)n1 ZINC000186429582 327916671 /nfs/dbraw/zinc/91/66/71/327916671.db2.gz KXOVSFZSZPFQDQ-ZJUUUORDSA-N 0 1 258.456 3.669 20 0 CHADMN NC1(c2noc([C@@H]3CCCc4ccccc43)n2)CCCCC1 ZINC000261934611 327926039 /nfs/dbraw/zinc/92/60/39/327926039.db2.gz KBZFPLIYBWDDFF-OAHLLOKOSA-N 0 1 297.402 3.656 20 0 CHADMN Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCCCCC(=O)[O-])C1 ZINC000563284095 328008528 /nfs/dbraw/zinc/00/85/28/328008528.db2.gz QZERRFYMXBAFBP-CVEARBPZSA-N 0 1 289.419 3.818 20 0 CHADMN CC[N@H+](Cc1ccccc1C)[C@H](C(=O)[O-])c1ccsc1 ZINC000563276862 328006948 /nfs/dbraw/zinc/00/69/48/328006948.db2.gz FKKDKDSZXGPPHC-HNNXBMFYSA-N 0 1 289.400 3.704 20 0 CHADMN CC[N@@H+](Cc1ccccc1C)[C@H](C(=O)[O-])c1ccsc1 ZINC000563276862 328006950 /nfs/dbraw/zinc/00/69/50/328006950.db2.gz FKKDKDSZXGPPHC-HNNXBMFYSA-N 0 1 289.400 3.704 20 0 CHADMN CC[N@@H+](CCCCCC(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000563279012 328007054 /nfs/dbraw/zinc/00/70/54/328007054.db2.gz ZTXDMDKQBIJSIP-ZDUSSCGKSA-N 0 1 281.371 3.854 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H](c2ccccc2)C(C)C)n1 ZINC000339390197 328009026 /nfs/dbraw/zinc/00/90/26/328009026.db2.gz JHVPWRXKMZBUMB-LSDHHAIUSA-N 0 1 287.407 3.903 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc3c2OCO3)cc1C ZINC000040667036 328015373 /nfs/dbraw/zinc/01/53/73/328015373.db2.gz HCSRMVYTSWTGJO-CQSZACIVSA-N 0 1 283.371 3.883 20 0 CHADMN CO[C@@H](C)c1nc(CN[C@H](C)Cc2ccsc2)cs1 ZINC000531725885 328023776 /nfs/dbraw/zinc/02/37/76/328023776.db2.gz DUPXXFRKZGZPKL-MNOVXSKESA-N 0 1 296.461 3.633 20 0 CHADMN Cc1ccccc1[C@H](CO)N[C@H]1CC(C)(C)Cc2occc21 ZINC000531737049 328028840 /nfs/dbraw/zinc/02/88/40/328028840.db2.gz BCKRUSANCIBRJP-IRXDYDNUSA-N 0 1 299.414 3.925 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)N[C@@H](CO)c1ccccc1C ZINC000531737116 328028895 /nfs/dbraw/zinc/02/88/95/328028895.db2.gz LNBNPQIIHAVHGE-QAPCUYQASA-N 0 1 299.414 3.696 20 0 CHADMN C(C[C@H]1CCCN1Cc1nnc(C2CC2)o1)C1CCCC1 ZINC000531757187 328032213 /nfs/dbraw/zinc/03/22/13/328032213.db2.gz DWMCTXCSWXUNCP-OAHLLOKOSA-N 0 1 289.423 3.882 20 0 CHADMN CC[C@H](C)CN(C)Cc1nc(C(C)(C)C)cs1 ZINC000531780197 328033443 /nfs/dbraw/zinc/03/34/43/328033443.db2.gz UMXNLCTVUYRJNI-NSHDSACASA-N 0 1 254.443 3.919 20 0 CHADMN C[N@@H+](Cc1csc(C(C)(C)C)n1)C1CCCC1 ZINC000048057600 328039152 /nfs/dbraw/zinc/03/91/52/328039152.db2.gz BWLBYIWFTTZQEM-UHFFFAOYSA-N 0 1 252.427 3.815 20 0 CHADMN CN(Cc1csc(C(C)(C)C)n1)C1CCCC1 ZINC000048057600 328039153 /nfs/dbraw/zinc/03/91/53/328039153.db2.gz BWLBYIWFTTZQEM-UHFFFAOYSA-N 0 1 252.427 3.815 20 0 CHADMN Cc1ccc(F)c(NCc2ccc3nc[nH]c3c2)c1 ZINC000534265830 328041177 /nfs/dbraw/zinc/04/11/77/328041177.db2.gz ZNPKOLRQMBAPCG-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN CC(C)OC1CCN(Cc2cnc(C(C)(C)C)s2)CC1 ZINC000534343026 328047113 /nfs/dbraw/zinc/04/71/13/328047113.db2.gz GDKYZPVDQLFIQC-UHFFFAOYSA-N 0 1 296.480 3.830 20 0 CHADMN CCCOc1ccc(CN(C)CCC(F)(F)F)cc1 ZINC000534349092 328047751 /nfs/dbraw/zinc/04/77/51/328047751.db2.gz LEWHTLMGYQITAV-UHFFFAOYSA-N 0 1 275.314 3.860 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000534381033 328050257 /nfs/dbraw/zinc/05/02/57/328050257.db2.gz ROTCZJJJXPNNNA-IUODEOHRSA-N 0 1 295.373 3.774 20 0 CHADMN CC[C@@H](c1ccccc1)N(CC)Cc1snnc1C ZINC000563621651 328078000 /nfs/dbraw/zinc/07/80/00/328078000.db2.gz ALEZRXKQZPDQGU-AWEZNQCLSA-N 0 1 275.421 3.820 20 0 CHADMN CCS[C@H]1CCCC[N@@H+](Cc2ccsc2C(=O)[O-])C1 ZINC000571172290 328090532 /nfs/dbraw/zinc/09/05/32/328090532.db2.gz SXMWNSGOYSYAKV-LBPRGKRZSA-N 0 1 299.461 3.554 20 0 CHADMN Cc1cnc(CN[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)s1 ZINC000412067459 328103869 /nfs/dbraw/zinc/10/38/69/328103869.db2.gz HFGRGVRFDHMEED-NEPJUHHUSA-N 0 1 282.453 3.523 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C(C)(C)CC(F)F)c1 ZINC000412354161 328109143 /nfs/dbraw/zinc/10/91/43/328109143.db2.gz JHABHYMMCBSUGS-UHFFFAOYSA-N 0 1 299.317 3.605 20 0 CHADMN Cc1ccc2oc(CNCc3cnn(C(C)C)c3)cc2c1 ZINC000571419415 328120671 /nfs/dbraw/zinc/12/06/71/328120671.db2.gz YLIWMVBLXQWHHZ-UHFFFAOYSA-N 0 1 283.375 3.808 20 0 CHADMN O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000571423804 328120950 /nfs/dbraw/zinc/12/09/50/328120950.db2.gz JWZFPBCYXJJHDD-FPMFFAJLSA-N 0 1 298.390 3.503 20 0 CHADMN C[C@@H]1CCC[C@H](C)[C@H]1NCc1noc(Cc2ccccc2)n1 ZINC000571455378 328123165 /nfs/dbraw/zinc/12/31/65/328123165.db2.gz KXPVMAVIMFLOKK-UOIKSKOESA-N 0 1 299.418 3.575 20 0 CHADMN CCN(Cc1occc1C)C(=O)c1ccc(O)c(Cl)c1 ZINC000412798084 328126278 /nfs/dbraw/zinc/12/62/78/328126278.db2.gz PPZHDKHDXDQFNQ-UHFFFAOYSA-N 0 1 293.750 3.609 20 0 CHADMN CCN(C(=O)c1cnc(-c2ccccc2)[nH]1)[C@H](C)C(C)C ZINC000571534016 328132357 /nfs/dbraw/zinc/13/23/57/328132357.db2.gz DQNGRLTYDIPFBZ-CYBMUJFWSA-N 0 1 285.391 3.583 20 0 CHADMN C/C=C/c1ccc(NC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC000571554254 328133622 /nfs/dbraw/zinc/13/36/22/328133622.db2.gz YLQVOKYTCCVKFN-BBOMDTFKSA-N 0 1 286.419 3.921 20 0 CHADMN CCS[C@@H]1CCC[C@@H]1NCc1cc(C(C)(C)C)on1 ZINC000582489252 329097193 /nfs/dbraw/zinc/09/71/93/329097193.db2.gz JUEUAJCWQDHSNQ-QWHCGFSZSA-N 0 1 282.453 3.736 20 0 CHADMN F[C@@H]1CCCC[C@H]1N[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000414307553 328154402 /nfs/dbraw/zinc/15/44/02/328154402.db2.gz HIUMVPCZZXXHBV-RBSFLKMASA-N 0 1 279.403 3.901 20 0 CHADMN CCc1ncc(CN2CCC[C@H]2c2ccc(C)cc2)cn1 ZINC000414368564 328156030 /nfs/dbraw/zinc/15/60/30/328156030.db2.gz HEIDEMOZHBKXOH-KRWDZBQOSA-N 0 1 281.403 3.685 20 0 CHADMN Cc1occc1CN[C@H]1CCCc2ccc(F)cc21 ZINC000414442726 328170751 /nfs/dbraw/zinc/17/07/51/328170751.db2.gz HKWSTMYYQUUURK-INIZCTEOSA-N 0 1 259.324 3.894 20 0 CHADMN CCc1ncc(CN[C@H](C)c2ccccc2SC)cn1 ZINC000414447888 328175654 /nfs/dbraw/zinc/17/56/54/328175654.db2.gz LWZAGBHGTPXJFI-GFCCVEGCSA-N 0 1 287.432 3.612 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccccc1)c1cc(F)ccc1F ZINC000268953970 328187262 /nfs/dbraw/zinc/18/72/62/328187262.db2.gz CXYUVTJVJULHEE-SJKOYZFVSA-N 0 1 291.341 3.739 20 0 CHADMN C[C@@H](N[C@H]1CCc2c1cccc2F)c1cncs1 ZINC000269015050 328188675 /nfs/dbraw/zinc/18/86/75/328188675.db2.gz OIKXMJRUJJZRAC-RNCFNFMXSA-N 0 1 262.353 3.620 20 0 CHADMN C[C@H](N[C@@H]1CS[C@@H](C(C)(C)C)C1)c1nccs1 ZINC000414497882 328189286 /nfs/dbraw/zinc/18/92/86/328189286.db2.gz VAZPAXFAEKFFHB-GARJFASQSA-N 0 1 270.467 3.714 20 0 CHADMN C[C@@H]1C[C@H](NCc2csc(-c3ccccc3)n2)CS1 ZINC000414502411 328190372 /nfs/dbraw/zinc/19/03/72/328190372.db2.gz PEQLPKNEEMYRMT-YPMHNXCESA-N 0 1 290.457 3.794 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])oc1CC ZINC000571648814 328194819 /nfs/dbraw/zinc/19/48/19/328194819.db2.gz ISRDVGFBAHZAHL-OCCSQVGLSA-N 0 1 293.407 3.941 20 0 CHADMN Fc1cc(Cl)ccc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000414594803 328199747 /nfs/dbraw/zinc/19/97/47/328199747.db2.gz SPDJVWIFWCFAEM-DGCLKSJQSA-N 0 1 265.715 3.718 20 0 CHADMN CC[C@H](C)[N@@H+](CCc1ccc(C(C)(C)C)cc1)CC(=O)[O-] ZINC000414676176 328213621 /nfs/dbraw/zinc/21/36/21/328213621.db2.gz GTOHVYGBHWVGGT-AWEZNQCLSA-N 0 1 291.435 3.712 20 0 CHADMN CC1(C)C[C@H](C(=O)Nc2cccc(Cl)c2O)C(C)(C)O1 ZINC000528909182 328234993 /nfs/dbraw/zinc/23/49/93/328234993.db2.gz XBKFIXNJLZSSLV-SECBINFHSA-N 0 1 297.782 3.578 20 0 CHADMN Cc1cnc(CN(C)[C@@H](C)Cc2ccc(C)cc2)s1 ZINC000180504050 329220018 /nfs/dbraw/zinc/22/00/18/329220018.db2.gz LJJBSTPWPFPVGP-ZDUSSCGKSA-N 0 1 274.433 3.823 20 0 CHADMN Clc1cnc(CNCCCc2ccccc2)s1 ZINC000225295008 329248356 /nfs/dbraw/zinc/24/83/56/329248356.db2.gz QNXRDXOPHHALNN-UHFFFAOYSA-N 0 1 266.797 3.519 20 0 CHADMN C[C@@H](Nc1cc2c(cn1)CCCC2)c1ccncc1F ZINC000340390517 328269335 /nfs/dbraw/zinc/26/93/35/328269335.db2.gz PROCDGVXGHPXIQ-LLVKDONJSA-N 0 1 271.339 3.668 20 0 CHADMN COc1ccc([C@H](C)NCc2occc2C)cc1C ZINC000293603588 328277044 /nfs/dbraw/zinc/27/70/44/328277044.db2.gz IXGABUNLMMBLLQ-ZDUSSCGKSA-N 0 1 259.349 3.756 20 0 CHADMN CCn1cc([C@H](C)N[C@H](C)c2cc(F)cc(F)c2)cn1 ZINC000296076608 328289057 /nfs/dbraw/zinc/28/90/57/328289057.db2.gz WZFKCSUYXGOKOL-MNOVXSKESA-N 0 1 279.334 3.593 20 0 CHADMN CC[C@H](CN[C@H]1C[C@@H](C)n2ccnc21)Oc1ccccc1C ZINC000297050359 328293327 /nfs/dbraw/zinc/29/33/27/328293327.db2.gz VNUQLNZRANFSOR-OAGGEKHMSA-N 0 1 299.418 3.645 20 0 CHADMN CC[C@H](CN[C@@H]1C[C@@H](C)n2ccnc21)Oc1ccccc1C ZINC000297050353 328293386 /nfs/dbraw/zinc/29/33/86/328293386.db2.gz VNUQLNZRANFSOR-BZUAXINKSA-N 0 1 299.418 3.645 20 0 CHADMN Cc1ccccc1CN[C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000582145009 328301563 /nfs/dbraw/zinc/30/15/63/328301563.db2.gz LVVFYVMKIKVAQT-PXAZEXFGSA-N 0 1 271.335 3.746 20 0 CHADMN COc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@@H]1C(F)F ZINC000582144749 328301586 /nfs/dbraw/zinc/30/15/86/328301586.db2.gz ASASMGXVZLZRAJ-WPRPVWTQSA-N 0 1 296.144 3.745 20 0 CHADMN O=C(CC1CCSCC1)Nc1cccc(Cl)c1O ZINC000531889251 328303724 /nfs/dbraw/zinc/30/37/24/328303724.db2.gz VIQBMXOAOMFVOG-UHFFFAOYSA-N 0 1 285.796 3.517 20 0 CHADMN Cc1ccc2nc(SCc3noc(C(C)C)n3)[nH]c2c1 ZINC000048872415 328323663 /nfs/dbraw/zinc/32/36/63/328323663.db2.gz ZWINKSBCYUEGKL-UHFFFAOYSA-N 0 1 288.376 3.670 20 0 CHADMN CC[N@@H+](CC(=O)N(C1CC1)C1CCCC1)C1CCCCC1 ZINC000302979107 328319667 /nfs/dbraw/zinc/31/96/67/328319667.db2.gz POPYLXFWYHYYLA-UHFFFAOYSA-N 0 1 292.467 3.575 20 0 CHADMN Cc1noc(C(C)(C)NCC2CCC(C(C)C)CC2)n1 ZINC000512375619 332965498 /nfs/dbraw/zinc/96/54/98/332965498.db2.gz VPOLSMFGPFATJU-UHFFFAOYSA-N 0 1 279.428 3.665 20 0 CHADMN O=c1nc(-c2ccc(Cl)cc2Cl)[nH]c2ccsc21 ZINC000049297887 328353689 /nfs/dbraw/zinc/35/36/89/328353689.db2.gz GNHPUNRJKKDQCT-UHFFFAOYSA-N 0 1 297.166 3.958 20 0 CHADMN CCCCc1nc2ccc(NC(=O)[C@H](C)SC)cc2[nH]1 ZINC000049486871 328363749 /nfs/dbraw/zinc/36/37/49/328363749.db2.gz RLZGXBYACFSEMW-JTQLQIEISA-N 0 1 291.420 3.596 20 0 CHADMN Clc1ccc(SCCN2CCOC[C@H]2C2CC2)cc1 ZINC000534864177 328365836 /nfs/dbraw/zinc/36/58/36/328365836.db2.gz XBXHEAFAUNHJOJ-HNNXBMFYSA-N 0 1 297.851 3.543 20 0 CHADMN CCc1cc(CN[C@@H](C)c2ccc3c(c2)CCC3)on1 ZINC000531976889 328369478 /nfs/dbraw/zinc/36/94/78/328369478.db2.gz JMWHQLPJNMERKI-LBPRGKRZSA-N 0 1 270.376 3.577 20 0 CHADMN CCOc1c(Cl)cc(CN2C3CCC2CC3)cc1OC ZINC000535067157 328382751 /nfs/dbraw/zinc/38/27/51/328382751.db2.gz JKCYNRQZVCUWKH-UHFFFAOYSA-N 0 1 295.810 3.874 20 0 CHADMN CCCCN(Cc1ccc2nc[nH]c2c1)CC(F)(F)F ZINC000535073140 328384307 /nfs/dbraw/zinc/38/43/07/328384307.db2.gz CYMUZSWETUNSOL-UHFFFAOYSA-N 0 1 285.313 3.727 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN2C[C@@H](C)S[C@H](C)C2)o1 ZINC000535085045 328385776 /nfs/dbraw/zinc/38/57/76/328385776.db2.gz WFXIJHZUUKXXQB-FMCLSXCISA-N 0 1 265.422 3.729 20 0 CHADMN COc1cccc(F)c1[C@@H](C)NC[C@H](CC(C)C)OC ZINC000417326778 328436951 /nfs/dbraw/zinc/43/69/51/328436951.db2.gz BBMFQJIDYZAZLQ-OLZOCXBDSA-N 0 1 283.387 3.546 20 0 CHADMN Fc1ccc(CCN2CC(CC(F)F)C2)c(Cl)c1 ZINC000425364104 328477587 /nfs/dbraw/zinc/47/75/87/328477587.db2.gz FDJRMRSFTWTWEJ-UHFFFAOYSA-N 0 1 277.717 3.609 20 0 CHADMN CC(C)=CCNCc1sccc1Br ZINC000191630307 328513952 /nfs/dbraw/zinc/51/39/52/328513952.db2.gz YRUAXPJQRJZWHK-UHFFFAOYSA-N 0 1 260.200 3.566 20 0 CHADMN CC(C)(C)OCCNCc1cc(Cl)ccc1Cl ZINC000308733194 328515402 /nfs/dbraw/zinc/51/54/02/328515402.db2.gz KHBIFMGELMTCHC-UHFFFAOYSA-N 0 1 276.207 3.898 20 0 CHADMN Oc1cc(Cl)ccc1-c1nc(-c2ccsc2)no1 ZINC000109037388 326822390 /nfs/dbraw/zinc/82/23/90/326822390.db2.gz YPRUVPYZINRKPA-UHFFFAOYSA-N 0 1 278.720 3.824 20 0 CHADMN Oc1cc(Cl)ccc1-c1nc(-c2cccs2)no1 ZINC000109037056 326822395 /nfs/dbraw/zinc/82/23/95/326822395.db2.gz FBKPORORWMOWCO-UHFFFAOYSA-N 0 1 278.720 3.824 20 0 CHADMN C[C@H](c1ccccc1Br)N1CCCCC1 ZINC000258543162 326879322 /nfs/dbraw/zinc/87/93/22/326879322.db2.gz NJGWCLFTLWISRZ-LLVKDONJSA-N 0 1 268.198 3.996 20 0 CHADMN CCc1ccccc1CNCc1ccncc1Cl ZINC000088781475 326884096 /nfs/dbraw/zinc/88/40/96/326884096.db2.gz SETMHPYDTPYPKP-UHFFFAOYSA-N 0 1 260.768 3.587 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1c(C)nc2ccccn21 ZINC000317393954 326989037 /nfs/dbraw/zinc/98/90/37/326989037.db2.gz YTIKPWSWCLKHRN-CYBMUJFWSA-N 0 1 295.386 3.502 20 0 CHADMN COC[C@@H](NC/C=C\c1ccccc1)c1ccc(C)o1 ZINC000255552445 326993298 /nfs/dbraw/zinc/99/32/98/326993298.db2.gz YSNKTTRPJOHYJS-CXOKCQFOSA-N 0 1 271.360 3.579 20 0 CHADMN CC(C)(C)C=CC(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000255768372 327014012 /nfs/dbraw/zinc/01/40/12/327014012.db2.gz GYBUZXYBTHTLNO-FPLPWBNLSA-N 0 1 269.348 3.618 20 0 CHADMN OC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000339753775 327014729 /nfs/dbraw/zinc/01/47/29/327014729.db2.gz VHGNNLVKENWKRG-NSHDSACASA-N 0 1 288.218 3.588 20 0 CHADMN OC[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000339753775 327014731 /nfs/dbraw/zinc/01/47/31/327014731.db2.gz VHGNNLVKENWKRG-NSHDSACASA-N 0 1 288.218 3.588 20 0 CHADMN Cc1nc(-c2ccc(CN[C@H](C)c3cn[nH]c3)cc2)cs1 ZINC000565816363 327025303 /nfs/dbraw/zinc/02/53/03/327025303.db2.gz CTFHMXSMOFXBQG-LLVKDONJSA-N 0 1 298.415 3.692 20 0 CHADMN CC[C@](C)(CN[C@@H](C)c1csc(C(C)C)n1)OC ZINC000453291910 331111831 /nfs/dbraw/zinc/11/18/31/331111831.db2.gz CBEVQTJADZMUNE-SMDDNHRTSA-N 0 1 270.442 3.732 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NCC(C)(C)C1=CCCC1 ZINC000584216206 327065096 /nfs/dbraw/zinc/06/50/96/327065096.db2.gz JGVRMJVEHBZHJM-UHFFFAOYSA-N 0 1 289.423 3.708 20 0 CHADMN CC[C@H]1CC[C@@H]1NCc1c(F)cc(F)c(F)c1F ZINC000558255317 327081984 /nfs/dbraw/zinc/08/19/84/327081984.db2.gz OCFGUTCVCITXQX-CPCISQLKSA-N 0 1 261.262 3.521 20 0 CHADMN Cc1ccc(OCCN(C)Cc2ccc(Cl)cn2)cc1 ZINC000558408489 327091952 /nfs/dbraw/zinc/09/19/52/327091952.db2.gz MMVWXMITHDMIPK-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN CCc1nn(C)cc1CNCc1ccc(Cl)c(Cl)c1 ZINC000093113409 327104310 /nfs/dbraw/zinc/10/43/10/327104310.db2.gz KTZQZTTVQYIVQE-UHFFFAOYSA-N 0 1 298.217 3.579 20 0 CHADMN Fc1cc2c(c(F)c1F)[C@@H](NCCC(F)(F)F)CC2 ZINC000449180420 327112625 /nfs/dbraw/zinc/11/26/25/327112625.db2.gz ZCGSNLVKWJGBFE-QMMMGPOBSA-N 0 1 283.215 3.633 20 0 CHADMN CC(C)c1cnc(CNCC(C)(C)C(F)(F)F)s1 ZINC000558680556 327113662 /nfs/dbraw/zinc/11/36/62/327113662.db2.gz IGCFQYWUIYUMLN-UHFFFAOYSA-N 0 1 280.359 3.945 20 0 CHADMN CC(C)[C@H](N[C@@H]1CC[C@H]1C1CCC1)c1nc(C2CC2)no1 ZINC000558699231 327115519 /nfs/dbraw/zinc/11/55/19/327115519.db2.gz DSLYHBGTRONVAL-ZNMIVQPWSA-N 0 1 289.423 3.812 20 0 CHADMN COCC[C@@H](C)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000558746435 327118980 /nfs/dbraw/zinc/11/89/80/327118980.db2.gz WDQFEPRSTODGDI-DOMZBBRYSA-N 0 1 285.790 3.636 20 0 CHADMN COCC[C@@H](C)N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000558746438 327119021 /nfs/dbraw/zinc/11/90/21/327119021.db2.gz WDQFEPRSTODGDI-IUODEOHRSA-N 0 1 285.790 3.636 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1cccc2ccccc21)C1CCC1 ZINC000584243580 327126512 /nfs/dbraw/zinc/12/65/12/327126512.db2.gz KDBSNGJIYDPWOG-ZDUSSCGKSA-N 0 1 283.371 3.667 20 0 CHADMN C[C@@H]1C[C@H](C[N@H+]2CC[C@](F)(c3ccccc3F)C2)CCO1 ZINC000558864043 327127929 /nfs/dbraw/zinc/12/79/29/327127929.db2.gz LRKAVNKYKDPXGX-CKEIUWERSA-N 0 1 295.373 3.511 20 0 CHADMN Cc1cc(CNC(C)(C)CF)sc1Br ZINC000308762930 332783726 /nfs/dbraw/zinc/78/37/26/332783726.db2.gz YZDDOWJWQHKTLL-UHFFFAOYSA-N 0 1 280.206 3.657 20 0 CHADMN C[C@H](c1ccccc1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000090558084 327150995 /nfs/dbraw/zinc/15/09/95/327150995.db2.gz SOBARSZDTPGQEA-RDTXWAMCSA-N 0 1 285.362 3.960 20 0 CHADMN O[C@@H](CN[C@@H](c1ccco1)c1ccccc1)CC1CCCC1 ZINC000564651604 327153353 /nfs/dbraw/zinc/15/33/53/327153353.db2.gz QZGYEXPMHQLXHH-IEBWSBKVSA-N 0 1 299.414 3.900 20 0 CHADMN Cc1nc(CN[C@H]2c3ccccc3CCC[C@H]2C)[nH]c1C ZINC000569379643 327169827 /nfs/dbraw/zinc/16/98/27/327169827.db2.gz LTKZKWHQQBWNKX-KZULUSFZSA-N 0 1 283.419 3.830 20 0 CHADMN CCc1nnc(CNCC[C@H](C)CCC=C(C)C)s1 ZINC000569399616 327171942 /nfs/dbraw/zinc/17/19/42/327171942.db2.gz YIHAHNWNLGECER-CYBMUJFWSA-N 0 1 281.469 3.963 20 0 CHADMN Fc1ccc(C2(NCc3cc[nH]c3)CCCC2)c(F)c1 ZINC000089801684 327173702 /nfs/dbraw/zinc/17/37/02/327173702.db2.gz XHVDCGLHTBSAJW-UHFFFAOYSA-N 0 1 276.330 3.852 20 0 CHADMN CO[C@H](C)c1cccc(NC(=O)c2cccc3nc[nH]c32)c1 ZINC000159352750 327174732 /nfs/dbraw/zinc/17/47/32/327174732.db2.gz JGMNDLPWUCNHNJ-LLVKDONJSA-N 0 1 295.342 3.523 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2noc(-c3cccs3)n2)C[C@@H]1C ZINC000569434576 327176731 /nfs/dbraw/zinc/17/67/31/327176731.db2.gz WYLDFXSBBIRUKF-GRYCIOLGSA-N 0 1 291.420 3.712 20 0 CHADMN Cc1ccoc1CN1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000092187484 327187786 /nfs/dbraw/zinc/18/77/86/327187786.db2.gz DHZAMPXSFFVFNK-UHFFFAOYSA-N 0 1 297.398 3.991 20 0 CHADMN CN(C/C=C\c1ccncc1)Cc1cc(F)c(F)c(F)c1 ZINC000426167780 327189889 /nfs/dbraw/zinc/18/98/89/327189889.db2.gz VLCFVGXNLZOZIK-IHWYPQMZSA-N 0 1 292.304 3.644 20 0 CHADMN CCc1cnc(CN(C)C[C@H](C)CC(C)C)s1 ZINC000410390079 327190798 /nfs/dbraw/zinc/19/07/98/327190798.db2.gz XKMUGRIRMYOJBU-GFCCVEGCSA-N 0 1 254.443 3.820 20 0 CHADMN Cc1nc2c(s1)[C@H](N(C)Cc1ccco1)CCC2 ZINC000093364828 327197654 /nfs/dbraw/zinc/19/76/54/327197654.db2.gz UUKLBZUXWQMVRK-CYBMUJFWSA-N 0 1 262.378 3.554 20 0 CHADMN Cc1cc(CN(Cc2ccc(C)cc2)C(C)(C)C)nn1C ZINC000528589770 327203592 /nfs/dbraw/zinc/20/35/92/327203592.db2.gz ADRRITNSGHGZBE-UHFFFAOYSA-N 0 1 285.435 3.838 20 0 CHADMN C[C@H](N[C@@H]1CC2CCC1CC2)c1nc(C(C)(C)C)no1 ZINC000584268859 327205128 /nfs/dbraw/zinc/20/51/28/327205128.db2.gz HNSFCKRNGZBUKM-YWPUVAFDSA-N 0 1 277.412 3.596 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CC1CCC(C)(C)CC1 ZINC000569611693 327211967 /nfs/dbraw/zinc/21/19/67/327211967.db2.gz JCLHKMHYDBCILX-CQSZACIVSA-N 0 1 269.429 3.634 20 0 CHADMN CC[C@@H](C)N1CCc2cc(OC)c(Cl)cc2C1 ZINC000559450177 327245619 /nfs/dbraw/zinc/24/56/19/327245619.db2.gz FTTBDYQBUSVAKP-SNVBAGLBSA-N 0 1 253.773 3.505 20 0 CHADMN CCOC[C@H]1CCN(Cc2cccc(Cl)c2Cl)C1 ZINC000093839395 327245862 /nfs/dbraw/zinc/24/58/62/327245862.db2.gz GAKWJFSUDQSUSK-NSHDSACASA-N 0 1 288.218 3.852 20 0 CHADMN Fc1ccc(Cl)c(CN2CC[C@H](c3ccncc3)C2)c1 ZINC000559638694 327255852 /nfs/dbraw/zinc/25/58/52/327255852.db2.gz HWSHTLAHLIMQHZ-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN CCn1cc([C@H](C)N[C@@H](C)c2cc(C)ccc2OC)cn1 ZINC000044496645 327267436 /nfs/dbraw/zinc/26/74/36/327267436.db2.gz PPXVVMZPMRTISR-KBPBESRZSA-N 0 1 287.407 3.632 20 0 CHADMN COC[C@H](N[C@@H]1CCC[C@@H]1F)c1ccc(Cl)cc1 ZINC000559917114 327270902 /nfs/dbraw/zinc/27/09/02/327270902.db2.gz UMZUAKCITGWOTD-MJBXVCDLSA-N 0 1 271.763 3.508 20 0 CHADMN CCC1CCC([N@@H+](C)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000049024481 327281230 /nfs/dbraw/zinc/28/12/30/327281230.db2.gz YXBOXLWJLOFFLO-UHFFFAOYSA-N 0 1 275.392 3.785 20 0 CHADMN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1CCCCCF ZINC000560190894 327289175 /nfs/dbraw/zinc/28/91/75/327289175.db2.gz CVIOUSSMMODZGV-HOTGVXAUSA-N 0 1 293.382 3.505 20 0 CHADMN Cc1noc([C@H]2CCCCN2CCCCc2ccccc2)n1 ZINC000560533599 327320555 /nfs/dbraw/zinc/32/05/55/327320555.db2.gz ROMOLPOXAYZPMS-QGZVFWFLSA-N 0 1 299.418 3.928 20 0 CHADMN c1ccc2c(CN3CCOC4(CCCCC4)C3)ccnc2c1 ZINC000560543456 327322141 /nfs/dbraw/zinc/32/21/41/327322141.db2.gz HMQWIUNJFXEINN-UHFFFAOYSA-N 0 1 296.414 3.770 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000566358411 327335303 /nfs/dbraw/zinc/33/53/03/327335303.db2.gz VBPCXTPHMHBEBI-OAHLLOKOSA-N 0 1 279.355 3.608 20 0 CHADMN CC[C@H](C)[C@H](C)[N@@H+](Cc1cc(C(=O)[O-])oc1C)C1CC1 ZINC000566359369 327335740 /nfs/dbraw/zinc/33/57/40/327335740.db2.gz UWJLFHPCGNUONA-QWRGUYRKSA-N 0 1 279.380 3.685 20 0 CHADMN C[C@@H](Cc1cnccn1)NCc1c(Cl)cccc1Cl ZINC000561134451 327368443 /nfs/dbraw/zinc/36/84/43/327368443.db2.gz JPTRNFMFRHZJIT-JTQLQIEISA-N 0 1 296.201 3.504 20 0 CHADMN CCc1ccc(CN[C@@H](c2ccccc2F)[C@@H](C)O)cc1 ZINC000574761673 327375721 /nfs/dbraw/zinc/37/57/21/327375721.db2.gz LPQQQDRMOGKDLQ-FZKQIMNGSA-N 0 1 287.378 3.600 20 0 CHADMN CC(C)C[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000561289848 327382568 /nfs/dbraw/zinc/38/25/68/327382568.db2.gz OKVNWLFEPGOHCC-AWEZNQCLSA-N 0 1 297.402 3.585 20 0 CHADMN C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccccc1F ZINC000151041681 327418537 /nfs/dbraw/zinc/41/85/37/327418537.db2.gz SIAJMQZSJYTZGK-PIGZYNQJSA-N 0 1 273.326 3.988 20 0 CHADMN CC1=C[C@H](C)C[C@H](CNCc2nc(-c3ccccc3)no2)C1 ZINC000562211373 327456457 /nfs/dbraw/zinc/45/64/57/327456457.db2.gz LAHMBYTUICHGQH-ZFWWWQNUSA-N 0 1 297.402 3.819 20 0 CHADMN Clc1scc(CNCCOCC2CCC2)c1Cl ZINC000562408465 327479929 /nfs/dbraw/zinc/47/99/29/327479929.db2.gz JDGZPFJFQHOPEE-UHFFFAOYSA-N 0 1 294.247 3.961 20 0 CHADMN C[C@H](N[C@H](CCc1ccccc1)C(F)F)[C@H]1CCCOC1 ZINC000507442579 332805714 /nfs/dbraw/zinc/80/57/14/332805714.db2.gz ORAHTLBGGAGTBJ-CWRNSKLLSA-N 0 1 297.389 3.658 20 0 CHADMN CC[C@@H](NCc1cc2ccccc2s1)c1ccn(C)n1 ZINC000562836987 327518902 /nfs/dbraw/zinc/51/89/02/327518902.db2.gz BGNHZURLXLYFIN-CQSZACIVSA-N 0 1 285.416 3.876 20 0 CHADMN CCC(CC)[C@@H](NCc1ccnc(OC)n1)c1ccccc1 ZINC000395140362 328612832 /nfs/dbraw/zinc/61/28/32/328612832.db2.gz XWLKEJNYPNKNDW-QGZVFWFLSA-N 0 1 299.418 3.752 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccoc2)cc1Cl ZINC000532212236 328707890 /nfs/dbraw/zinc/70/78/90/328707890.db2.gz LXEGHEFSAOCJEP-SNVBAGLBSA-N 0 1 265.740 3.792 20 0 CHADMN CCC[C@H](NCc1cc(CC)no1)c1ccccc1 ZINC000532232493 328709438 /nfs/dbraw/zinc/70/94/38/328709438.db2.gz GWNUIGVHQSADLC-INIZCTEOSA-N 0 1 258.365 3.868 20 0 CHADMN CCc1ccc(CNCc2cc3cc(C)ccc3o2)cn1 ZINC000520254167 328717399 /nfs/dbraw/zinc/71/73/99/328717399.db2.gz MYZAUYNYPYIGGG-UHFFFAOYSA-N 0 1 280.371 3.988 20 0 CHADMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1cc(C)no1 ZINC000351144875 328725487 /nfs/dbraw/zinc/72/54/87/328725487.db2.gz MYLBFEVFYCJKPU-IAQYHMDHSA-N 0 1 294.782 3.502 20 0 CHADMN CC(C)Oc1ccc([C@H](C)N[C@H](C)c2ccnn2C)cc1 ZINC000192247735 328726572 /nfs/dbraw/zinc/72/65/72/328726572.db2.gz PUQAZRFXAVFPQW-UONOGXRCSA-N 0 1 287.407 3.619 20 0 CHADMN C[C@@H](CN[C@H](C)c1ccon1)c1cccc(Cl)c1 ZINC000526115996 328744317 /nfs/dbraw/zinc/74/43/17/328744317.db2.gz XNZQTEYTVZBGLT-WDEREUQCSA-N 0 1 264.756 3.782 20 0 CHADMN Cc1cccc(CNCc2cn3cc(Cl)ccc3n2)c1 ZINC000042207891 328761966 /nfs/dbraw/zinc/76/19/66/328761966.db2.gz HODLDMFZTTXKOX-UHFFFAOYSA-N 0 1 285.778 3.586 20 0 CHADMN Fc1ccc(CNCc2ccc(Cl)s2)cc1F ZINC000042240008 328762633 /nfs/dbraw/zinc/76/26/33/328762633.db2.gz VWVPGCULJLBSJN-UHFFFAOYSA-N 0 1 273.735 3.970 20 0 CHADMN Cc1ccccc1CN(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000042255374 328763186 /nfs/dbraw/zinc/76/31/86/328763186.db2.gz DSMORORQXRIRDO-UHFFFAOYSA-N 0 1 289.762 3.626 20 0 CHADMN C[C@H](N[C@@H](C)c1ccncn1)c1ccc(C(F)(F)F)cc1 ZINC000395912637 328776412 /nfs/dbraw/zinc/77/64/12/328776412.db2.gz PRPFAOBLNKTWAH-QWRGUYRKSA-N 0 1 295.308 3.907 20 0 CHADMN COc1cc(Cl)ccc1CNCc1ccccc1 ZINC000043565330 328805003 /nfs/dbraw/zinc/80/50/03/328805003.db2.gz HPIYUCMWWIIANF-UHFFFAOYSA-N 0 1 261.752 3.638 20 0 CHADMN C[C@@H]1C[C@H](C)N1C(=O)c1cc(Cl)c2ccccc2c1O ZINC000526931557 328815057 /nfs/dbraw/zinc/81/50/57/328815057.db2.gz QFTNLFYMYTZCGS-AOOOYVTPSA-N 0 1 289.762 3.822 20 0 CHADMN Cc1nc2cc(N[C@H](C)C3CCCC3)ccc2n1C ZINC000526983957 328817987 /nfs/dbraw/zinc/81/79/87/328817987.db2.gz JTGNEVXWLSGOIL-LLVKDONJSA-N 0 1 257.381 3.872 20 0 CHADMN C[C@@H]1C[C@@H](C)N1Cc1cnc(C2CCCC2)s1 ZINC000526989530 328819658 /nfs/dbraw/zinc/81/96/58/328819658.db2.gz OEIGYRDHWYNPCF-GHMZBOCLSA-N 0 1 250.411 3.783 20 0 CHADMN Cc1cc(N(C)CCc2ccccn2)c2cc(F)ccc2n1 ZINC000301682291 328829563 /nfs/dbraw/zinc/82/95/63/328829563.db2.gz SHVKAWCGVKTXMH-UHFFFAOYSA-N 0 1 295.361 3.756 20 0 CHADMN CC[C@H](NCc1ccc(C)c(C)n1)c1ccccc1OC ZINC000314751662 328835554 /nfs/dbraw/zinc/83/55/54/328835554.db2.gz IVGGTXIOPRZQAQ-KRWDZBQOSA-N 0 1 284.403 3.948 20 0 CHADMN CCC[C@H](NCc1ccnc(SC)c1)c1ccccn1 ZINC000357876808 328878023 /nfs/dbraw/zinc/87/80/23/328878023.db2.gz XIAZMMRALQXXKJ-AWEZNQCLSA-N 0 1 287.432 3.830 20 0 CHADMN CC(C)c1nnc(CN[C@@H](C)CCc2ccsc2)s1 ZINC000360964169 328913132 /nfs/dbraw/zinc/91/31/32/328913132.db2.gz NSIKPZDOIRTFMS-NSHDSACASA-N 0 1 295.477 3.834 20 0 CHADMN CC(C)n1ncc2c1[C@H](N[C@@H](C)c1ccccn1)CCC2 ZINC000375184370 329001605 /nfs/dbraw/zinc/00/16/05/329001605.db2.gz PSXLADTUYFNQJJ-XJKSGUPXSA-N 0 1 284.407 3.587 20 0 CHADMN CC[C@H](NCc1cnc2n1CCCC2)c1ccccc1F ZINC000375273161 329002318 /nfs/dbraw/zinc/00/23/18/329002318.db2.gz XUAKYFJFBAFCCU-INIZCTEOSA-N 0 1 287.382 3.599 20 0 CHADMN CC(C)c1scnc1NC(=O)c1cc(Cl)ccc1O ZINC000582446323 329003784 /nfs/dbraw/zinc/00/37/84/329003784.db2.gz KIILSUXFBCMNOI-UHFFFAOYSA-N 0 1 296.779 3.878 20 0 CHADMN Cc1cc(CN2CCC(OC3CCC(C)CC3)CC2)on1 ZINC000377591795 329019467 /nfs/dbraw/zinc/01/94/67/329019467.db2.gz XATMJHDYBDFGQQ-UHFFFAOYSA-N 0 1 292.423 3.543 20 0 CHADMN Cc1cnn([C@H]2CCN([C@@H](C)c3ccccc3Cl)C2)c1 ZINC000377723275 329027117 /nfs/dbraw/zinc/02/71/17/329027117.db2.gz MZXUIDNLHYFQPI-KBPBESRZSA-N 0 1 289.810 3.853 20 0 CHADMN Cc1cc(CN[C@@H]2c3ccccc3O[C@H]2C)cc(C)c1O ZINC000377921945 329034815 /nfs/dbraw/zinc/03/48/15/329034815.db2.gz TXNKDIACYJBAKZ-GUYCJALGSA-N 0 1 283.371 3.621 20 0 CHADMN CCCCC[C@H](C)CC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000378078173 329038995 /nfs/dbraw/zinc/03/89/95/329038995.db2.gz NXFYAEBSMNMDQZ-AWEZNQCLSA-N 0 1 291.439 3.722 20 0 CHADMN CC(C)(C)/C=C/C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000378529469 329054216 /nfs/dbraw/zinc/05/42/16/329054216.db2.gz NANMJQNLQGEDKD-MDZDMXLPSA-N 0 1 284.403 3.705 20 0 CHADMN C=Cn1cc(C[N@@H+](Cc2ccccc2)[C@@H](C)C2CC2)cn1 ZINC000193603011 329059950 /nfs/dbraw/zinc/05/99/50/329059950.db2.gz OMSKNXYNPSLVPD-HNNXBMFYSA-N 0 1 281.403 3.784 20 0 CHADMN COc1cc(CN(C)[C@@H](C)c2ccco2)ccc1C ZINC000193688340 329060768 /nfs/dbraw/zinc/06/07/68/329060768.db2.gz LZDLEIAUFDYXMG-ZDUSSCGKSA-N 0 1 259.349 3.790 20 0 CHADMN C=Cn1cc(CN(CC)Cc2cccc(Cl)c2)cn1 ZINC000193700166 329061251 /nfs/dbraw/zinc/06/12/51/329061251.db2.gz AYRIXDHTKRMCIU-UHFFFAOYSA-N 0 1 275.783 3.659 20 0 CHADMN CSC1(CN[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000193829831 329061826 /nfs/dbraw/zinc/06/18/26/329061826.db2.gz RLFIQJLSAWTPPV-INIZCTEOSA-N 0 1 284.428 3.656 20 0 CHADMN CCCN(Cc1ncc(-c2ccc(OC)cc2)o1)C1CC1 ZINC000171678581 329075319 /nfs/dbraw/zinc/07/53/19/329075319.db2.gz DWBHTJFIUSEOSA-UHFFFAOYSA-N 0 1 286.375 3.725 20 0 CHADMN CCSc1ccc(Cl)cc1NC(=O)c1cn[nH]c1C ZINC000171804438 329080300 /nfs/dbraw/zinc/08/03/00/329080300.db2.gz KBFPTWQGTHRSCX-UHFFFAOYSA-N 0 1 295.795 3.736 20 0 CHADMN Cc1ncc(CN(C)c2ccnc3cc(F)ccc32)s1 ZINC000172068455 329080598 /nfs/dbraw/zinc/08/05/98/329080598.db2.gz HUMBGAREMCAVCY-UHFFFAOYSA-N 0 1 287.363 3.775 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2ccn(C(C)C)n2)C1 ZINC000172015658 329083357 /nfs/dbraw/zinc/08/33/57/329083357.db2.gz LRMYWSSQTCPGNG-OAHLLOKOSA-N 0 1 281.469 3.572 20 0 CHADMN CC(C)O[C@@H]1CCN([C@H](C)c2cc(F)ccc2F)C1 ZINC000582485133 329096426 /nfs/dbraw/zinc/09/64/26/329096426.db2.gz XRBIJSGDFXRZBL-DGCLKSJQSA-N 0 1 269.335 3.525 20 0 CHADMN c1ccc(-c2noc(CNC3CCC4(CC4)CC3)n2)cc1 ZINC000582701416 329126411 /nfs/dbraw/zinc/12/64/11/329126411.db2.gz YOSQRBCUQZXALO-UHFFFAOYSA-N 0 1 283.375 3.549 20 0 CHADMN C[N@@H+](Cc1cccc(C(=O)[O-])c1Cl)C1CCCCC1 ZINC000394605518 329128423 /nfs/dbraw/zinc/12/84/23/329128423.db2.gz YXLYZUYEURWGLC-UHFFFAOYSA-N 0 1 281.783 3.803 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CCC[C@H](C)[C@@H]1C ZINC000172861981 329139535 /nfs/dbraw/zinc/13/95/35/329139535.db2.gz CFGILXCQLJKNDU-ZFWWWQNUSA-N 0 1 288.435 3.616 20 0 CHADMN Cc1ccccc1CCC[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000582755373 329144637 /nfs/dbraw/zinc/14/46/37/329144637.db2.gz QWKSXLWVFJVWNY-MOPGFXCFSA-N 0 1 299.458 3.961 20 0 CHADMN CSCCC[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000173543715 329148971 /nfs/dbraw/zinc/14/89/71/329148971.db2.gz QENRAOXYEMTOIL-SNVBAGLBSA-N 0 1 259.365 3.711 20 0 CHADMN CSCCCN(C)[C@H](C)c1cc(F)ccc1F ZINC000173543715 329148973 /nfs/dbraw/zinc/14/89/73/329148973.db2.gz QENRAOXYEMTOIL-SNVBAGLBSA-N 0 1 259.365 3.711 20 0 CHADMN C[C@H](NCc1ccccc1OC1CCC1)c1ccncc1 ZINC000174110492 329154525 /nfs/dbraw/zinc/15/45/25/329154525.db2.gz VUIOTGHJSFEYID-AWEZNQCLSA-N 0 1 282.387 3.864 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2cc(-c3ccco3)on2)C1 ZINC000174476498 329159224 /nfs/dbraw/zinc/15/92/24/329159224.db2.gz AUIQKANOERRMPM-VXGBXAGGSA-N 0 1 260.337 3.555 20 0 CHADMN CCc1nnc(CN2CC[C@@H](c3ccccc3)[C@H](CC)C2)o1 ZINC000174887807 329164142 /nfs/dbraw/zinc/16/41/42/329164142.db2.gz FCYWJVHXSBONKB-GDBMZVCRSA-N 0 1 299.418 3.648 20 0 CHADMN COc1ccc(F)cc1[C@H](C)NC/C=C/c1ccncc1 ZINC000486988561 329176934 /nfs/dbraw/zinc/17/69/34/329176934.db2.gz JJRPQPXOCBNLJA-OOPCZODUSA-N 0 1 286.350 3.593 20 0 CHADMN Cc1occc1CN(C)[C@@H]1CCc2ccc(F)cc21 ZINC000177024527 329178076 /nfs/dbraw/zinc/17/80/76/329178076.db2.gz BXDGDXIXXKWHBG-MRXNPFEDSA-N 0 1 259.324 3.846 20 0 CHADMN CO[C@H](C)c1nc(CN(C)[C@H]2CCCC[C@@H]2C)cs1 ZINC000177649325 329188742 /nfs/dbraw/zinc/18/87/42/329188742.db2.gz XGYXAYYMTPKCFB-SCRDCRAPSA-N 0 1 282.453 3.861 20 0 CHADMN CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc2ccccc2n1 ZINC000178081232 329192674 /nfs/dbraw/zinc/19/26/74/329192674.db2.gz KPDMVAWQAVBBPD-RDJZCZTQSA-N 0 1 297.446 3.760 20 0 CHADMN CC(C)CC[C@@H]1CCCN1Cc1nc(C(C)C)no1 ZINC000178552018 329198424 /nfs/dbraw/zinc/19/84/24/329198424.db2.gz YAXGXQYMAFSATF-ZDUSSCGKSA-N 0 1 265.401 3.594 20 0 CHADMN CCOc1ccc2c(c1)[C@H](N[C@H](C)c1cccnc1)CCO2 ZINC000178313794 329198551 /nfs/dbraw/zinc/19/85/51/329198551.db2.gz RTAOMVSHSJAJPG-CXAGYDPISA-N 0 1 298.386 3.655 20 0 CHADMN FC1(CN2CCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000525977309 329199443 /nfs/dbraw/zinc/19/94/43/329199443.db2.gz DZMYNYNBQDOAEH-CYBMUJFWSA-N 0 1 253.748 3.979 20 0 CHADMN c1cn2cc(CN[C@H](c3ccccc3)C3CC3)nc2s1 ZINC000179106163 329205508 /nfs/dbraw/zinc/20/55/08/329205508.db2.gz CIRFDWJPDXTEIJ-OAHLLOKOSA-N 0 1 283.400 3.637 20 0 CHADMN CCc1cnc(CN(C)CC2CCC(F)(F)CC2)s1 ZINC000459345947 329214077 /nfs/dbraw/zinc/21/40/77/329214077.db2.gz AYZZNPPPTFSGAJ-UHFFFAOYSA-N 0 1 288.407 3.963 20 0 CHADMN Cc1cnc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)s1 ZINC000180495629 329220039 /nfs/dbraw/zinc/22/00/39/329220039.db2.gz VNDPXWMOBVYZQP-OAHLLOKOSA-N 0 1 262.422 3.774 20 0 CHADMN Cc1cnc(CN2CCC[C@]3(CC=CCC3)C2)s1 ZINC000180495629 329220040 /nfs/dbraw/zinc/22/00/40/329220040.db2.gz VNDPXWMOBVYZQP-OAHLLOKOSA-N 0 1 262.422 3.774 20 0 CHADMN CC[C@H](NCc1cncc(C)c1)c1ccccc1F ZINC000181030097 329225200 /nfs/dbraw/zinc/22/52/00/329225200.db2.gz HSAGGWJYEBBPBZ-INIZCTEOSA-N 0 1 258.340 3.770 20 0 CHADMN CCCCCN(Cc1nnc(C2CC2)n1C1CC1)C(C)C ZINC000181090695 329225870 /nfs/dbraw/zinc/22/58/70/329225870.db2.gz HKQVEBIABSXEAW-UHFFFAOYSA-N 0 1 290.455 3.891 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2c(F)cccc21)c1cccnc1 ZINC000181326169 329231538 /nfs/dbraw/zinc/23/15/38/329231538.db2.gz QHSGBVZXAYKNEA-MLGOLLRUSA-N 0 1 286.350 3.785 20 0 CHADMN CC(C)[C@H]1CCCCN1Cc1nnc(C2CC2)n1C1CC1 ZINC000181350415 329232062 /nfs/dbraw/zinc/23/20/62/329232062.db2.gz SLPMDZDLCNUHFM-OAHLLOKOSA-N 0 1 288.439 3.501 20 0 CHADMN Cc1oncc1CN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000181727777 329236255 /nfs/dbraw/zinc/23/62/55/329236255.db2.gz FGSUCDFBMKLJTD-SMDDNHRTSA-N 0 1 260.337 3.549 20 0 CHADMN CC[C@@H](NCc1cncc(C)c1)c1cc(C)ccc1OC ZINC000181835046 329237572 /nfs/dbraw/zinc/23/75/72/329237572.db2.gz QXOVPOVUJFJHMD-QGZVFWFLSA-N 0 1 284.403 3.948 20 0 CHADMN Cc1cc(CN2CC[C@H](c3cc(C)cc(C)c3)C2)no1 ZINC000183489601 329248104 /nfs/dbraw/zinc/24/81/04/329248104.db2.gz PGNIVELVFVPJLG-HNNXBMFYSA-N 0 1 270.376 3.589 20 0 CHADMN CCC[C@@H](C(=O)Nc1nc(C2CCC2)n[nH]1)c1ccccc1 ZINC000184621624 329261235 /nfs/dbraw/zinc/26/12/35/329261235.db2.gz IZNKQQWTIGOTKA-CQSZACIVSA-N 0 1 298.390 3.595 20 0 CHADMN CCC[C@@H](C(=O)Nc1n[nH]c(C2CCC2)n1)c1ccccc1 ZINC000184621624 329261237 /nfs/dbraw/zinc/26/12/37/329261237.db2.gz IZNKQQWTIGOTKA-CQSZACIVSA-N 0 1 298.390 3.595 20 0 CHADMN CCSCCN[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184891505 329263846 /nfs/dbraw/zinc/26/38/46/329263846.db2.gz CHGZNVBZEMICND-LBPRGKRZSA-N 0 1 276.405 3.745 20 0 CHADMN Cc1ncc(CN2CC[C@H](c3c(F)cccc3F)C2)s1 ZINC000185306051 329272811 /nfs/dbraw/zinc/27/28/11/329272811.db2.gz WTRMXTDEADUPRD-NSHDSACASA-N 0 1 294.370 3.719 20 0 CHADMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1ccc(C(=O)[O-])s1)C1CC1 ZINC000582909875 329286944 /nfs/dbraw/zinc/28/69/44/329286944.db2.gz YUGJRGDLLVATGA-GHMZBOCLSA-N 0 1 281.421 3.845 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@H]1NCc1cc2ccc(F)cc2[nH]1 ZINC000582957355 329289453 /nfs/dbraw/zinc/28/94/53/329289453.db2.gz UDKGJDMLWZXWMQ-VOJFVSQTSA-N 0 1 296.345 3.919 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000582971160 329296255 /nfs/dbraw/zinc/29/62/55/329296255.db2.gz UMNVXPICLZLQRI-CDNLZTBQSA-N 0 1 297.354 3.656 20 0 CHADMN CCC[C@@]1(C)CCC[N@H+]([C@@H](C(=O)[O-])c2ccsc2)C1 ZINC000583030901 329304811 /nfs/dbraw/zinc/30/48/11/329304811.db2.gz WFMAOPHXYCDWHJ-HIFRSBDPSA-N 0 1 281.421 3.776 20 0 CHADMN O=C([O-])c1ccccc1CC[N@H+]1CCC2(C1)CCCCC2 ZINC000583030469 329304974 /nfs/dbraw/zinc/30/49/74/329304974.db2.gz NWQAMKAABJDODX-UHFFFAOYSA-N 0 1 287.403 3.584 20 0 CHADMN CCCN(Cc1nnc(-c2ccccc2)s1)C(C)C ZINC000583034161 329305660 /nfs/dbraw/zinc/30/56/60/329305660.db2.gz MJELTPSUTSUWCR-UHFFFAOYSA-N 0 1 275.421 3.826 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CCC(C)(C)C)CC(=O)[O-] ZINC000583095966 329315706 /nfs/dbraw/zinc/31/57/06/329315706.db2.gz XGLZLQBVGXLHOH-HNNXBMFYSA-N 0 1 277.408 3.961 20 0 CHADMN Cc1coc2ccc(NC(=O)c3cccc4cn[nH]c43)cc12 ZINC000185771386 329331427 /nfs/dbraw/zinc/33/14/27/329331427.db2.gz VSAQPVNFSLOVPJ-UHFFFAOYSA-N 0 1 291.310 3.870 20 0 CHADMN COc1cccc2c1CCC[C@H]2NCc1occc1C ZINC000583180221 329343796 /nfs/dbraw/zinc/34/37/96/329343796.db2.gz SYTCBEMSMRGYCC-OAHLLOKOSA-N 0 1 271.360 3.764 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CCC(C)(CO)CC1 ZINC000186957812 329352141 /nfs/dbraw/zinc/35/21/41/329352141.db2.gz GPALNJUHURISSN-OAHLLOKOSA-N 0 1 283.362 3.510 20 0 CHADMN Cc1ccc(CN(C)[C@@H](C)c2cccc(O)c2)c(C)n1 ZINC000187249922 329356035 /nfs/dbraw/zinc/35/60/35/329356035.db2.gz LTIXMNSLPBKTLQ-AWEZNQCLSA-N 0 1 270.376 3.597 20 0 CHADMN CCCC[N@@H+](Cc1ncccc1[O-])C1CCCCC1 ZINC000583195080 329357197 /nfs/dbraw/zinc/35/71/97/329357197.db2.gz DXNSDJNNKUVYJO-UHFFFAOYSA-N 0 1 262.397 3.722 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(C)nc2C)cc1F ZINC000187407478 329357507 /nfs/dbraw/zinc/35/75/07/329357507.db2.gz HXCATLRPBWDDBP-LBPRGKRZSA-N 0 1 288.366 3.697 20 0 CHADMN Cc1ccccc1Cc1nnc(CN2CCCC[C@H](C)C2)o1 ZINC000187990053 329364780 /nfs/dbraw/zinc/36/47/80/329364780.db2.gz TWNGGCWJQJIDSB-AWEZNQCLSA-N 0 1 299.418 3.591 20 0 CHADMN OC[C@@H](NC1CCCCC1)c1c(Cl)cccc1Cl ZINC000038111292 329368435 /nfs/dbraw/zinc/36/84/35/329368435.db2.gz ZCQINANKQVWUNR-CYBMUJFWSA-N 0 1 288.218 3.949 20 0 CHADMN O=C([O-])C[N@@H+](CCc1ccc2ccccc2c1)C1CCCC1 ZINC000583215127 329370502 /nfs/dbraw/zinc/37/05/02/329370502.db2.gz MFSHEXCOCVMBQR-UHFFFAOYSA-N 0 1 297.398 3.712 20 0 CHADMN Cc1cccc2c1OCC[C@H]2NCc1cc(F)cc(F)c1 ZINC000188880217 329374104 /nfs/dbraw/zinc/37/41/04/329374104.db2.gz YFTNIFRBTIBOGN-MRXNPFEDSA-N 0 1 289.325 3.887 20 0 CHADMN CN(Cc1nc2ccccc2s1)C1CC(C)(C)C1 ZINC000459737259 329374496 /nfs/dbraw/zinc/37/44/96/329374496.db2.gz ICCZJMIPTLUJKP-UHFFFAOYSA-N 0 1 260.406 3.917 20 0 CHADMN Cc1cc(Cl)c(NCc2n[nH]c(C3CC3)n2)cc1Cl ZINC000190392198 329396123 /nfs/dbraw/zinc/39/61/23/329396123.db2.gz CHJMKWIDYLXADC-UHFFFAOYSA-N 0 1 297.189 3.909 20 0 CHADMN CCS[C@@H]1CCC[C@@H]1NCc1ncc(Cl)s1 ZINC000233993921 329412247 /nfs/dbraw/zinc/41/22/47/329412247.db2.gz UAJLXIWRHBZVEE-DTWKUNHWSA-N 0 1 276.858 3.560 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@@H]1NCc1nc(C2CC2)no1 ZINC000191351538 329412999 /nfs/dbraw/zinc/41/29/99/329412999.db2.gz QSKNRHAKNYCQTC-JSGCOSHPSA-N 0 1 277.412 3.642 20 0 CHADMN CCc1ccc(-c2noc([C@@H](C)NCC3(C)CC3)n2)cc1 ZINC000583788720 329477976 /nfs/dbraw/zinc/47/79/76/329477976.db2.gz NMJOAAJVSGJSCG-GFCCVEGCSA-N 0 1 285.391 3.750 20 0 CHADMN Cl/C=C/CN1CCC(c2nc3ccccc3o2)CC1 ZINC000124063828 329566468 /nfs/dbraw/zinc/56/64/68/329566468.db2.gz MKTOYNWLMGBHJD-FPYGCLRLSA-N 0 1 276.767 3.760 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2cccc(C)n2)c1 ZINC000127256025 329598252 /nfs/dbraw/zinc/59/82/52/329598252.db2.gz HDUUKFQWLUSERZ-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN c1coc(CNCc2cccc(-c3cccnc3)c2)c1 ZINC000130143339 329622934 /nfs/dbraw/zinc/62/29/34/329622934.db2.gz FTSSXZLPRNXTEZ-UHFFFAOYSA-N 0 1 264.328 3.631 20 0 CHADMN CCc1ncc(CNCc2ccc(F)c(Cl)c2)s1 ZINC000053149709 329661663 /nfs/dbraw/zinc/66/16/63/329661663.db2.gz KIVDGQJLQXFPPA-UHFFFAOYSA-N 0 1 284.787 3.788 20 0 CHADMN CC1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000062649703 329682726 /nfs/dbraw/zinc/68/27/26/329682726.db2.gz ZMQDUBBEPBKMNQ-UHFFFAOYSA-N 0 1 291.782 3.622 20 0 CHADMN Cc1nc2cc(NC[C@@H]3CC=CCC3)ccc2n1[C@H](C)CO ZINC000419763210 329745131 /nfs/dbraw/zinc/74/51/31/329745131.db2.gz NIYPBAXEIGDDLP-UKRRQHHQSA-N 0 1 299.418 3.666 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)NCC[C@H](C)F)n2)cc1F ZINC000509604746 332875004 /nfs/dbraw/zinc/87/50/04/332875004.db2.gz NXTGFFSLWKGPKK-QWRGUYRKSA-N 0 1 295.333 3.583 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc(F)ccc2F)cc(C)n1 ZINC000421207263 329806041 /nfs/dbraw/zinc/80/60/41/329806041.db2.gz VVLQUYRHZFUTTA-GFCCVEGCSA-N 0 1 276.330 3.827 20 0 CHADMN Cc1cc(CNCc2cccc3c2OC(C)(C)C3)cc(C)n1 ZINC000421392987 329820490 /nfs/dbraw/zinc/82/04/90/329820490.db2.gz YFUYVFMQEPSULL-UHFFFAOYSA-N 0 1 296.414 3.702 20 0 CHADMN Cc1csc([C@@H](C)NCc2cc(C)ccc2C)n1 ZINC000070939672 329856092 /nfs/dbraw/zinc/85/60/92/329856092.db2.gz RBQXLEANDQKWQZ-CYBMUJFWSA-N 0 1 260.406 3.919 20 0 CHADMN Cc1ncsc1CNCc1ccc(Cl)c(F)c1 ZINC000071213071 329856585 /nfs/dbraw/zinc/85/65/85/329856585.db2.gz WPHCGEKROKXTJT-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN CCOc1ccc([C@H](C)NCc2ccc(C)o2)cc1OC ZINC000073804140 329862522 /nfs/dbraw/zinc/86/25/22/329862522.db2.gz MUPVRLDEVSOSGY-ZDUSSCGKSA-N 0 1 289.375 3.846 20 0 CHADMN C/C(=C/c1ccccc1)CN[C@@H](C)c1ccncc1F ZINC000509949626 332886518 /nfs/dbraw/zinc/88/65/18/332886518.db2.gz UMPHNGGAVFZKQH-ZVHGMHCTSA-N 0 1 270.351 3.975 20 0 CHADMN CCCn1cc(CNC2(c3cccc(Cl)c3)CC2)cn1 ZINC000077467829 329927393 /nfs/dbraw/zinc/92/73/93/329927393.db2.gz LIWCLXBJQMWTOT-UHFFFAOYSA-N 0 1 289.810 3.725 20 0 CHADMN Cc1cc(C)cc(CN2CC3(CCC3(F)F)C2)c1 ZINC000564136730 329968130 /nfs/dbraw/zinc/96/81/30/329968130.db2.gz DQQZNGWUQNYUTK-UHFFFAOYSA-N 0 1 251.320 3.535 20 0 CHADMN CCC[N@@H+](CCCC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000262285292 330004285 /nfs/dbraw/zinc/00/42/85/330004285.db2.gz WOUNQUOVFHDTLP-HNNXBMFYSA-N 0 1 263.381 3.715 20 0 CHADMN c1nc(CN2CCCC[C@@H]2CCc2ccccc2)co1 ZINC000432745401 330016627 /nfs/dbraw/zinc/01/66/27/330016627.db2.gz BRFGACMQWDMTIJ-QGZVFWFLSA-N 0 1 270.376 3.662 20 0 CHADMN C[C@@H]1[C@H](C(=O)[O-])CCC[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC000263109638 330044120 /nfs/dbraw/zinc/04/41/20/330044120.db2.gz YLVHVGPXUNLMAA-CXAGYDPISA-N 0 1 287.403 3.639 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@H+]2CCC[C@H](CCC(=O)[O-])C2)C1 ZINC000263176666 330047411 /nfs/dbraw/zinc/04/74/11/330047411.db2.gz SSMYGYRATQFMMC-BZUAXINKSA-N 0 1 281.440 3.780 20 0 CHADMN CC(C)c1ccc(CC[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000263349369 330052609 /nfs/dbraw/zinc/05/26/09/330052609.db2.gz PJSSBTNNWUKOND-YOEHRIQHSA-N 0 1 289.419 3.538 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000263370276 330053178 /nfs/dbraw/zinc/05/31/78/330053178.db2.gz VEBVWLBMZPMVLH-AWEZNQCLSA-N 0 1 299.370 3.631 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000263393865 330053880 /nfs/dbraw/zinc/05/38/80/330053880.db2.gz GAUKNGIXXXYJTG-MRXNPFEDSA-N 0 1 297.354 3.705 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000263399933 330054200 /nfs/dbraw/zinc/05/42/00/330054200.db2.gz HRGPMUALZANTOV-HIFRSBDPSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1ccc(-c2cccc(C[N@H+](C)[C@H](C)C(=O)[O-])c2)cc1 ZINC000263424355 330055262 /nfs/dbraw/zinc/05/52/62/330055262.db2.gz PZPMCFJKTDZJOH-CQSZACIVSA-N 0 1 283.371 3.567 20 0 CHADMN Cc1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]3C(=O)[O-])o2)cc1 ZINC000263447238 330056176 /nfs/dbraw/zinc/05/61/76/330056176.db2.gz YEXHTYFIMNNENJ-MRXNPFEDSA-N 0 1 299.370 3.694 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263490907 330057598 /nfs/dbraw/zinc/05/75/98/330057598.db2.gz RDLMQOGZYVXUMF-CJNGLKHVSA-N 0 1 275.392 3.785 20 0 CHADMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(C3CCCC3)cc2)C1 ZINC000263512407 330058490 /nfs/dbraw/zinc/05/84/90/330058490.db2.gz NTZXMNWFMMCUCD-GOSISDBHSA-N 0 1 287.403 3.641 20 0 CHADMN O=C([O-])[C@@H]1CCC[N@H+]1CC1CCC(c2ccccc2)CC1 ZINC000263579965 330059985 /nfs/dbraw/zinc/05/99/85/330059985.db2.gz VKDXCURTNVEWDN-PREGVCBESA-N 0 1 287.403 3.509 20 0 CHADMN COC[C@H](C)CNC1(c2c(Cl)cccc2Cl)CC1 ZINC000527111795 330060220 /nfs/dbraw/zinc/06/02/20/330060220.db2.gz UFBZYUFXCAZOOR-SNVBAGLBSA-N 0 1 288.218 3.855 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@@H](c3ccc(Cl)cc3)C2)o1 ZINC000264740502 330061786 /nfs/dbraw/zinc/06/17/86/330061786.db2.gz RVYPXAXOTOCJAO-GXFFZTMASA-N 0 1 291.782 3.582 20 0 CHADMN C[C@@H](Cc1ccc(F)cc1Cl)NCc1cscn1 ZINC000421822906 330083237 /nfs/dbraw/zinc/08/32/37/330083237.db2.gz BKRAJQKVIJOSSF-VIFPVBQESA-N 0 1 284.787 3.656 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccncc2Cl)ccc1C ZINC000421825940 330083551 /nfs/dbraw/zinc/08/35/51/330083551.db2.gz QCBADEDKHGYOAB-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@H]1CCC[C@H](C[NH2+]Cc2c(F)ccc([O-])c2F)C1 ZINC000510125399 332893583 /nfs/dbraw/zinc/89/35/83/332893583.db2.gz XUHJNRUZEFYMQK-QWRGUYRKSA-N 0 1 269.335 3.586 20 0 CHADMN COc1cc(Cl)ccc1[C@H](C)NCc1ccc(C)nc1 ZINC000421818441 330086320 /nfs/dbraw/zinc/08/63/20/330086320.db2.gz AVNOYDORMPGBFB-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@H](NCCO[C@H]1CCCC[C@@H]1C)c1ccncc1Cl ZINC000421821892 330086945 /nfs/dbraw/zinc/08/69/45/330086945.db2.gz UREGBJCVGQGBGT-XEZPLFJOSA-N 0 1 296.842 3.981 20 0 CHADMN C[C@H](Cc1ccc(F)cc1Cl)N[C@H](C)c1csnn1 ZINC000421849659 330096149 /nfs/dbraw/zinc/09/61/49/330096149.db2.gz CHIXSQYXYLVFBZ-RKDXNWHRSA-N 0 1 299.802 3.612 20 0 CHADMN COc1ccsc1[C@H](C)NCc1cc(C)nc(C)c1 ZINC000421864407 330098932 /nfs/dbraw/zinc/09/89/32/330098932.db2.gz YKOCOMWUHCNPFC-LBPRGKRZSA-N 0 1 276.405 3.619 20 0 CHADMN c1csc([C@H]2CCCN2Cc2cccc3c2OCO3)c1 ZINC000162691032 330109834 /nfs/dbraw/zinc/10/98/34/330109834.db2.gz YHYJOIMUQNAYCH-CYBMUJFWSA-N 0 1 287.384 3.814 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1cccc2c1CCCN2 ZINC000423411048 330197312 /nfs/dbraw/zinc/19/73/12/330197312.db2.gz DWVIAFGTKBDCEL-AWEZNQCLSA-N 0 1 295.430 3.853 20 0 CHADMN CCC(CC)[C@@H](CCN[C@@H](C)c1cscn1)OC ZINC000536833174 330229769 /nfs/dbraw/zinc/22/97/69/330229769.db2.gz NAJLLTYGKTUTDK-SMDDNHRTSA-N 0 1 270.442 3.635 20 0 CHADMN CCc1ccc([C@H](NCc2ccnc(C)n2)C(C)C)cc1 ZINC000054790154 330230244 /nfs/dbraw/zinc/23/02/44/330230244.db2.gz SXHPBINKVUOKMJ-GOSISDBHSA-N 0 1 283.419 3.834 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cnc(C)cc1C ZINC000396976915 330232884 /nfs/dbraw/zinc/23/28/84/330232884.db2.gz KXESTYUAFSOFBM-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1ccccc1Cc1noc([C@H](C)N2[C@H](C)CC[C@H]2C)n1 ZINC000527203310 330235206 /nfs/dbraw/zinc/23/52/06/330235206.db2.gz FLDAEKKNAJDDJR-KFWWJZLASA-N 0 1 299.418 3.903 20 0 CHADMN COc1cc([C@H](C)NCc2cnc(C)cc2C)ccc1F ZINC000397015493 330235236 /nfs/dbraw/zinc/23/52/36/330235236.db2.gz GJTWVUPXAKBHDA-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN COc1ccc(CNCc2cnc(C)cc2C)cc1Cl ZINC000397026972 330236602 /nfs/dbraw/zinc/23/66/02/330236602.db2.gz OEUAGRZEJMQTJN-UHFFFAOYSA-N 0 1 290.794 3.650 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2cc(F)cc(F)c2)cn1 ZINC000397075397 330238387 /nfs/dbraw/zinc/23/83/87/330238387.db2.gz CLYGYDDODPODEC-LBPRGKRZSA-N 0 1 276.330 3.827 20 0 CHADMN Cc1nnc(CN[C@H](C)[C@H](C)c2ccc(Cl)cc2)s1 ZINC000527235112 330239742 /nfs/dbraw/zinc/23/97/42/330239742.db2.gz QICCPCQFDSRXCO-VHSXEESVSA-N 0 1 295.839 3.782 20 0 CHADMN CCCOc1c(CN2[C@H](C)C[C@@H]2C)cccc1OCC ZINC000527238834 330240610 /nfs/dbraw/zinc/24/06/10/330240610.db2.gz VKSGQINIOUMEMY-OKILXGFUSA-N 0 1 277.408 3.857 20 0 CHADMN CCC1(NCc2ncc(Cl)cc2Br)CC1 ZINC000527713380 330275998 /nfs/dbraw/zinc/27/59/98/330275998.db2.gz OWAZLKJWYFLECB-UHFFFAOYSA-N 0 1 289.604 3.530 20 0 CHADMN C[C@H](NCc1cccc2c1OCO2)c1ccc(F)c(F)c1 ZINC000036325014 330254222 /nfs/dbraw/zinc/25/42/22/330254222.db2.gz TWOOTSKPHQZOKV-JTQLQIEISA-N 0 1 291.297 3.544 20 0 CHADMN C[C@H]1C[C@H](C)N1Cc1c(Cl)cccc1N1CCCC1 ZINC000527529437 330258001 /nfs/dbraw/zinc/25/80/01/330258001.db2.gz NVDWQJIMTWQOJP-STQMWFEESA-N 0 1 278.827 3.923 20 0 CHADMN Cc1cc(CN2Cc3ccccc3OC(C)(C)C2)ccn1 ZINC000527540318 330260879 /nfs/dbraw/zinc/26/08/79/330260879.db2.gz QREIKXIQKLBOHB-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN CCCc1ccc(CN2CCC(F)(F)CC2)s1 ZINC000527543874 330261339 /nfs/dbraw/zinc/26/13/39/330261339.db2.gz RWAJKVPUSWPNKU-UHFFFAOYSA-N 0 1 259.365 3.932 20 0 CHADMN Cc1cc(CN(Cc2ccccc2)C[C@@H]2CCCO2)ccn1 ZINC000527532486 330262505 /nfs/dbraw/zinc/26/25/05/330262505.db2.gz GPOLWUVJKLDCMK-IBGZPJMESA-N 0 1 296.414 3.571 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccc(F)cc2)ccn1 ZINC000527531887 330262603 /nfs/dbraw/zinc/26/26/03/330262603.db2.gz CDERQQQTRWGPJC-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cc(C[N@H+](Cc2ccc(F)cc2)CC2CC2)ccn1 ZINC000527534660 330263286 /nfs/dbraw/zinc/26/32/86/330263286.db2.gz OMFSASBIRCYSBM-UHFFFAOYSA-N 0 1 284.378 3.941 20 0 CHADMN Cc1cc(CNC2(c3ccc(F)cc3F)CCC2)ccn1 ZINC000527537388 330264125 /nfs/dbraw/zinc/26/41/25/330264125.db2.gz BIMAPGLJTRQEAO-UHFFFAOYSA-N 0 1 288.341 3.837 20 0 CHADMN c1cc2ccc(CNCc3ccc4c(n3)CCCC4)cc2[nH]1 ZINC000527702054 330274805 /nfs/dbraw/zinc/27/48/05/330274805.db2.gz XOOAQNTXBDHEHJ-UHFFFAOYSA-N 0 1 291.398 3.732 20 0 CHADMN C[C@H]1CC(F)(F)CCN1Cc1cc(-c2ccccc2)no1 ZINC000528771005 330279271 /nfs/dbraw/zinc/27/92/71/330279271.db2.gz VJBWXEONZXAFNT-LBPRGKRZSA-N 0 1 292.329 3.961 20 0 CHADMN Cn1ccc(CNC(C)(C)c2nc3ccccc3s2)c1 ZINC000527742313 330280003 /nfs/dbraw/zinc/28/00/03/330280003.db2.gz AUFJIMPQZPZVQF-UHFFFAOYSA-N 0 1 285.416 3.660 20 0 CHADMN c1ccc([C@@H](NCc2n[nH]c3ccccc23)C2CCC2)nc1 ZINC000527770699 330281940 /nfs/dbraw/zinc/28/19/40/330281940.db2.gz GBBDJQMPJWBIAX-SFHVURJKSA-N 0 1 292.386 3.589 20 0 CHADMN c1ccc([C@@H](NCc2[nH]nc3ccccc32)C2CCC2)nc1 ZINC000527770699 330281941 /nfs/dbraw/zinc/28/19/41/330281941.db2.gz GBBDJQMPJWBIAX-SFHVURJKSA-N 0 1 292.386 3.589 20 0 CHADMN CC[C@@H](NCc1cccc(OC)n1)c1cc(C)ccc1C ZINC000527819260 330282876 /nfs/dbraw/zinc/28/28/76/330282876.db2.gz IIAUEKKPTZDZLP-QGZVFWFLSA-N 0 1 284.403 3.948 20 0 CHADMN FC(F)(F)c1cnc(CNCC[C@H]2CC=CCC2)s1 ZINC000527792051 330283657 /nfs/dbraw/zinc/28/36/57/330283657.db2.gz XMTOPCQZKDQMRG-JTQLQIEISA-N 0 1 290.354 3.998 20 0 CHADMN Cc1ncccc1CNCc1cscc1C(F)(F)F ZINC000527793162 330283684 /nfs/dbraw/zinc/28/36/84/330283684.db2.gz GDSJIGQZONXGCA-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN C[C@@H](N[C@@H](C)c1noc(-c2ccccc2)n1)[C@H]1CC12CC2 ZINC000527865006 330285569 /nfs/dbraw/zinc/28/55/69/330285569.db2.gz FVLICBNKVQTNSC-MBNYWOFBSA-N 0 1 283.375 3.576 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3cc(F)c(Cl)cc32)cn1 ZINC000527848948 330288031 /nfs/dbraw/zinc/28/80/31/330288031.db2.gz JWYBGFXKMJXBOT-INIZCTEOSA-N 0 1 290.769 3.960 20 0 CHADMN CC[C@@H](NCc1snnc1C)c1cc(C)ccc1C ZINC000527902963 330289462 /nfs/dbraw/zinc/28/94/62/330289462.db2.gz PBEXDHXTVJWLPK-CQSZACIVSA-N 0 1 275.421 3.704 20 0 CHADMN C[C@H](N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1nccs1 ZINC000527941657 330293970 /nfs/dbraw/zinc/29/39/70/330293970.db2.gz HQGJRGBYLDXRQQ-VGSLSFOHSA-N 0 1 290.819 3.785 20 0 CHADMN CC(C)Cc1ccccc1CN[C@H](C)c1ccncn1 ZINC000527918801 330295380 /nfs/dbraw/zinc/29/53/80/330295380.db2.gz HOXYCZLLNVAARH-CQSZACIVSA-N 0 1 269.392 3.526 20 0 CHADMN Cc1cccc([C@@H](C)NC[C@H](n2cccn2)C(F)(F)F)c1 ZINC000527936278 330298083 /nfs/dbraw/zinc/29/80/83/330298083.db2.gz SEORPCPNMWLOAJ-OCCSQVGLSA-N 0 1 297.324 3.646 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccnc2C)c(Cl)c1 ZINC000527983707 330298375 /nfs/dbraw/zinc/29/83/75/330298375.db2.gz CGHWQPFAXXCDAZ-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN COc1ccc([C@H](C)NCc2cccnc2C)c(Cl)c1 ZINC000527983708 330298388 /nfs/dbraw/zinc/29/83/88/330298388.db2.gz CGHWQPFAXXCDAZ-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1ncccc1CN[C@H](C)c1cc(F)cc(F)c1 ZINC000527989112 330299168 /nfs/dbraw/zinc/29/91/68/330299168.db2.gz XTOVQYAYPPJGDY-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN CC[C@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccn(C)n1 ZINC000527991218 330299260 /nfs/dbraw/zinc/29/92/60/330299260.db2.gz IFFOTBYRBGNJCJ-GJZGRUSLSA-N 0 1 289.810 3.802 20 0 CHADMN COc1cc([C@H](C)N[C@@H](c2ccccn2)C2CCC2)ccn1 ZINC000527962027 330300712 /nfs/dbraw/zinc/30/07/12/330300712.db2.gz DJEHGJMJXSYLCV-SCLBCKFNSA-N 0 1 297.402 3.677 20 0 CHADMN C[C@@H](N[C@@H](c1ccccn1)C1CCC1)c1ccoc1 ZINC000527962411 330300856 /nfs/dbraw/zinc/30/08/56/330300856.db2.gz DNLCXTUMTZMWPL-MLGOLLRUSA-N 0 1 256.349 3.867 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@@H](C)c2ncccc2F)C1(CC)CC ZINC000528036620 330303001 /nfs/dbraw/zinc/30/30/01/330303001.db2.gz VGHVZZIXQLDXSS-NWANDNLSSA-N 0 1 294.414 3.855 20 0 CHADMN C[C@H](NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(F)cc1F ZINC000528007793 330303619 /nfs/dbraw/zinc/30/36/19/330303619.db2.gz CKCILYRZBGIKBS-SWLSCSKDSA-N 0 1 294.389 3.632 20 0 CHADMN Cc1cccc([C@H](N[C@@H](C)c2ccncn2)C(C)C)c1 ZINC000528010320 330303967 /nfs/dbraw/zinc/30/39/67/330303967.db2.gz MKRNEIYPSUDSCI-WMLDXEAASA-N 0 1 269.392 3.833 20 0 CHADMN C[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc([O-])c1Cl ZINC000328065425 330307561 /nfs/dbraw/zinc/30/75/61/330307561.db2.gz AUMRUPQEKKMPIC-WDEREUQCSA-N 0 1 253.773 3.571 20 0 CHADMN Cc1cc(-c2noc([C@H]3CCCC34CC4)n2)cc2nc[nH]c21 ZINC000528132021 330308789 /nfs/dbraw/zinc/30/87/89/330308789.db2.gz LSRUYTGFZBBUPA-GFCCVEGCSA-N 0 1 294.358 3.969 20 0 CHADMN Cc1cc(-c2noc([C@@H]3[C@H](C)[C@@H]3C3CC3)n2)cc2nc[nH]c21 ZINC000528132674 330308892 /nfs/dbraw/zinc/30/88/92/330308892.db2.gz OBGBVVGFAUWNQY-OWYVNGRQSA-N 0 1 294.358 3.681 20 0 CHADMN COC[C@H](N[C@H](C)c1ccccc1)c1ccc(F)cc1 ZINC000536875732 330309681 /nfs/dbraw/zinc/30/96/81/330309681.db2.gz JQNYBKWBDCBCBD-DYVFJYSZSA-N 0 1 273.351 3.864 20 0 CHADMN C[C@H]1CCC[C@@H]([NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000328080951 330311861 /nfs/dbraw/zinc/31/18/61/330311861.db2.gz BMKMHDGGZYMBEB-CMPLNLGQSA-N 0 1 253.773 3.714 20 0 CHADMN CN(Cc1cc(CO)ccc1F)[C@H]1CCCc2ccccc21 ZINC000528340546 330319598 /nfs/dbraw/zinc/31/95/98/330319598.db2.gz RKYLZGADPIWPJF-IBGZPJMESA-N 0 1 299.389 3.827 20 0 CHADMN CN(CCOC1CCCCCC1)CCC(F)(F)F ZINC000533032577 330324845 /nfs/dbraw/zinc/32/48/45/330324845.db2.gz LJPXUUJFBZMDHO-UHFFFAOYSA-N 0 1 267.335 3.610 20 0 CHADMN C[C@H]1C[C@H](CC[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])C[C@@H](C)C1 ZINC000424270493 330333177 /nfs/dbraw/zinc/33/31/77/330333177.db2.gz NPHIYNFAAPERNG-LEOABGAYSA-N 0 1 281.440 3.634 20 0 CHADMN Fc1cccc(F)c1-c1nc(CN2C3CCC2CC3)co1 ZINC000533099900 330335346 /nfs/dbraw/zinc/33/53/46/330335346.db2.gz RVTHIQCKBGXHRK-UHFFFAOYSA-N 0 1 290.313 3.747 20 0 CHADMN CC(C)CCOCCNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000045093836 330338476 /nfs/dbraw/zinc/33/84/76/330338476.db2.gz ITIKPIUFPWRLKH-DZGCQCFKSA-N 0 1 265.397 3.555 20 0 CHADMN Cc1cc([C@H](N[C@H]2CC23CC3)c2cccnc2)ccc1F ZINC000424321929 330340311 /nfs/dbraw/zinc/34/03/11/330340311.db2.gz KMOXJVUSYWOSHM-IRXDYDNUSA-N 0 1 282.362 3.761 20 0 CHADMN CCCN(Cc1nc2ccccc2o1)C[C@H]1CCCCO1 ZINC000106867574 330341542 /nfs/dbraw/zinc/34/15/42/330341542.db2.gz LPYNFNOWBQTUDO-CQSZACIVSA-N 0 1 288.391 3.609 20 0 CHADMN Cc1ccc(C2CC2)c(-c2nc([C@H](N)CC(C)C)no2)c1 ZINC000424334863 330343258 /nfs/dbraw/zinc/34/32/58/330343258.db2.gz GKUMRKLLMQDJFT-OAHLLOKOSA-N 0 1 285.391 3.968 20 0 CHADMN CCCCS[C@H](C)c1nc(C2(N)CCCCC2)no1 ZINC000424339552 330343910 /nfs/dbraw/zinc/34/39/10/330343910.db2.gz DBBBIMNZPLAAHT-LLVKDONJSA-N 0 1 283.441 3.782 20 0 CHADMN C/C(=C\c1nc(C2(N)CCCCC2)no1)C(C)(C)C ZINC000424350334 330345312 /nfs/dbraw/zinc/34/53/12/330345312.db2.gz XDAVXXFHERXVJP-ZHACJKMWSA-N 0 1 263.385 3.637 20 0 CHADMN CC(C)c1cccc(Cc2nc(C3(N)CCCCC3)no2)c1 ZINC000424351317 330345434 /nfs/dbraw/zinc/34/54/34/330345434.db2.gz WESCUOPOAUFYBT-UHFFFAOYSA-N 0 1 299.418 3.902 20 0 CHADMN CC(C)c1ccc(CC[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1 ZINC000424417055 330350756 /nfs/dbraw/zinc/35/07/56/330350756.db2.gz LNYHRWPCTSWRPX-WMLDXEAASA-N 0 1 289.419 3.538 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000424423759 330351585 /nfs/dbraw/zinc/35/15/85/330351585.db2.gz VPWUCRMIUDDOQU-SOUVJXGZSA-N 0 1 269.429 3.778 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000424423758 330351619 /nfs/dbraw/zinc/35/16/19/330351619.db2.gz VPWUCRMIUDDOQU-QLFBSQMISA-N 0 1 269.429 3.778 20 0 CHADMN FCCOc1cccc(NCc2ccc3nc[nH]c3c2)c1 ZINC000533218029 330353525 /nfs/dbraw/zinc/35/35/25/330353525.db2.gz NXQSBFNVKCXDDI-UHFFFAOYSA-N 0 1 285.322 3.523 20 0 CHADMN Cc1cccc(CN(C)[C@@H](C)C(=O)Nc2ccccc2C)c1 ZINC000533241583 330354495 /nfs/dbraw/zinc/35/44/95/330354495.db2.gz LUVUCXAFONEDQT-INIZCTEOSA-N 0 1 296.414 3.762 20 0 CHADMN CCCCNC(=O)[C@H](C)N(C)Cc1cccc2ccccc21 ZINC000533240663 330354513 /nfs/dbraw/zinc/35/45/13/330354513.db2.gz FOIAQCXASUIVJE-HNNXBMFYSA-N 0 1 298.430 3.576 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1C2CCC1CC2 ZINC000533237283 330354545 /nfs/dbraw/zinc/35/45/45/330354545.db2.gz LKLKBWNPSIIBQO-XGNXJENSSA-N 0 1 292.810 3.602 20 0 CHADMN C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCC(=O)[O-] ZINC000083662952 330358679 /nfs/dbraw/zinc/35/86/79/330358679.db2.gz RVXYPXNNMCOXGJ-SECBINFHSA-N 0 1 290.190 3.851 20 0 CHADMN Cc1ccc(F)c(CN[C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000116913033 330361333 /nfs/dbraw/zinc/36/13/33/330361333.db2.gz IQMASXIQPXQKMS-LBPRGKRZSA-N 0 1 287.334 3.714 20 0 CHADMN C[C@H](N[C@H](CO)c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000212809687 330367359 /nfs/dbraw/zinc/36/73/59/330367359.db2.gz DEQVHYRPKZHONI-MEDUHNTESA-N 0 1 293.769 3.863 20 0 CHADMN COc1cc(C)ccc1CN[C@H]1CCc2cc(F)ccc21 ZINC000119806745 330380069 /nfs/dbraw/zinc/38/00/69/330380069.db2.gz IJDVQPLZQUQAFC-KRWDZBQOSA-N 0 1 285.362 3.920 20 0 CHADMN Cc1ccc2nc(C[N@H+]3CC[C@H](c4ccccc4)C3)cn2c1 ZINC000120139510 330385708 /nfs/dbraw/zinc/38/57/08/330385708.db2.gz UIKRPAKEXIBXQJ-KRWDZBQOSA-N 0 1 291.398 3.632 20 0 CHADMN CC[N@@H+](Cc1cccc(O)c1)[C@@H](C)c1cccc(OC)c1 ZINC000120160361 330385904 /nfs/dbraw/zinc/38/59/04/330385904.db2.gz UNEMQCFGUQSNEJ-AWEZNQCLSA-N 0 1 285.387 3.984 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000120220641 330386289 /nfs/dbraw/zinc/38/62/89/330386289.db2.gz IQIWDLHQNFQUTF-KBPBESRZSA-N 0 1 274.408 3.621 20 0 CHADMN CC(C)NC(=O)CN[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000120404458 330388432 /nfs/dbraw/zinc/38/84/32/330388432.db2.gz NGSIBZWKPOSYQX-HNNXBMFYSA-N 0 1 296.414 3.529 20 0 CHADMN C[C@]1(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)C[C@@H]1F ZINC000424587623 330391393 /nfs/dbraw/zinc/39/13/93/330391393.db2.gz AJTOFQFPWXMKMV-BBRMVZONSA-N 0 1 299.305 3.510 20 0 CHADMN CN(Cc1nc(C(C)(C)C)cs1)CC1CCC1 ZINC000120871802 330391891 /nfs/dbraw/zinc/39/18/91/330391891.db2.gz PHHMAWFWANLQOZ-UHFFFAOYSA-N 0 1 252.427 3.673 20 0 CHADMN CCC[C@@H]1CCCN([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000120858837 330393065 /nfs/dbraw/zinc/39/30/65/330393065.db2.gz YMYPIAUTNXGZFO-QWHCGFSZSA-N 0 1 265.401 3.766 20 0 CHADMN COc1ccc(CNCc2cc3cc(OC)ccc3o2)cc1 ZINC000122898989 330430625 /nfs/dbraw/zinc/43/06/25/330430625.db2.gz NPVHBWGVNCYMHT-UHFFFAOYSA-N 0 1 297.354 3.740 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H]1C1CC1)c1nc(C(C)(C)C)no1 ZINC000515027727 330469222 /nfs/dbraw/zinc/46/92/22/330469222.db2.gz BPUDIHIFFYWDNB-CYZMBNFOSA-N 0 1 277.412 3.596 20 0 CHADMN Cc1cccc(CNCc2ccc3c(c2)CCCC3)n1 ZINC000515028201 330469271 /nfs/dbraw/zinc/46/92/71/330469271.db2.gz UVUYTIPFSZFAIB-UHFFFAOYSA-N 0 1 266.388 3.559 20 0 CHADMN FC1(F)CC(NCc2cnc(C3CCCC3)s2)C1 ZINC000428651565 330528948 /nfs/dbraw/zinc/52/89/48/330528948.db2.gz LWIQOUCLJCNFFQ-UHFFFAOYSA-N 0 1 272.364 3.688 20 0 CHADMN C[C@H](N[C@H](CO)CC(F)F)c1ccc(Cl)cc1Cl ZINC000429460073 330547411 /nfs/dbraw/zinc/54/74/11/330547411.db2.gz ZPQJUAOIZPAMII-CBAPKCEASA-N 0 1 298.160 3.660 20 0 CHADMN CC1(C)CC(NCc2c(F)cc(F)c(F)c2F)C1 ZINC000430742362 330572222 /nfs/dbraw/zinc/57/22/22/330572222.db2.gz WJUSEEOMJIKMQJ-UHFFFAOYSA-N 0 1 261.262 3.521 20 0 CHADMN Fc1ccc(CNCCOCC2CC2)c(Cl)c1Cl ZINC000432244711 330595718 /nfs/dbraw/zinc/59/57/18/330595718.db2.gz DPZDIUBKIHZREO-UHFFFAOYSA-N 0 1 292.181 3.649 20 0 CHADMN CC(C)n1ncnc1CN(CC(C)(C)C)CC(C)(C)C ZINC000434476021 330639596 /nfs/dbraw/zinc/63/95/96/330639596.db2.gz FCHNJXGHDSHKPU-UHFFFAOYSA-N 0 1 280.460 3.753 20 0 CHADMN CC(C)(C)c1nc(CNC2Cc3ccccc3C2)cs1 ZINC000153411881 330643463 /nfs/dbraw/zinc/64/34/63/330643463.db2.gz LFNAYCZHPOXFID-UHFFFAOYSA-N 0 1 286.444 3.698 20 0 CHADMN Cc1ccc(CN2CCC(F)(c3ccccc3)CC2)cn1 ZINC000435057044 330649132 /nfs/dbraw/zinc/64/91/32/330649132.db2.gz ARMPQROGKGFSMX-UHFFFAOYSA-N 0 1 284.378 3.851 20 0 CHADMN O=C(c1c(O)cccc1F)N(CC1CCC1)c1ccccc1 ZINC000436595556 330680944 /nfs/dbraw/zinc/68/09/44/330680944.db2.gz MAWMNOOOVGCVMV-UHFFFAOYSA-N 0 1 299.345 3.978 20 0 CHADMN CC(C)(CNC(=O)c1ccc(O)c(Cl)c1)C1CCCC1 ZINC000436629509 330681825 /nfs/dbraw/zinc/68/18/25/330681825.db2.gz VLLQROTYKRBYPR-UHFFFAOYSA-N 0 1 295.810 3.992 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C(C)(C)C(C)C)c1 ZINC000436650403 330682291 /nfs/dbraw/zinc/68/22/91/330682291.db2.gz ZHIRVZPJLZYLCO-UHFFFAOYSA-N 0 1 277.364 3.606 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1ccsc1)c1cccc(F)c1 ZINC000437024970 330691347 /nfs/dbraw/zinc/69/13/47/330691347.db2.gz CVEOKEADHULODC-CABCVRRESA-N 0 1 279.380 3.662 20 0 CHADMN CC[C@H](F)CN[C@@H](c1ccc(F)cc1F)C(C)C ZINC000440602733 330752183 /nfs/dbraw/zinc/75/21/83/330752183.db2.gz ZHQIXPDTKJMJOI-IINYFYTJSA-N 0 1 259.315 4.000 20 0 CHADMN Cc1cc(C)cc([C@H](C)NCc2cc(C(F)(F)F)n[nH]2)c1 ZINC000440821741 330756911 /nfs/dbraw/zinc/75/69/11/330756911.db2.gz BVNPGUJEPUBJIQ-NSHDSACASA-N 0 1 297.324 3.896 20 0 CHADMN CC(C)c1ccc(CNCc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000440814373 330756939 /nfs/dbraw/zinc/75/69/39/330756939.db2.gz PDEGLKWGCMBDPN-UHFFFAOYSA-N 0 1 297.324 3.842 20 0 CHADMN CC(C)CC1(C(=O)Nc2cc(F)cc(Cl)c2O)CC1 ZINC000442753811 330781363 /nfs/dbraw/zinc/78/13/63/330781363.db2.gz GZHLRXMGEGIREA-UHFFFAOYSA-N 0 1 285.746 3.950 20 0 CHADMN COC[C@H](N[C@@H](C)c1cccc(O)c1)c1ccc(F)cc1 ZINC000442862849 330788048 /nfs/dbraw/zinc/78/80/48/330788048.db2.gz WBJOLWLZYCULCW-SJCJKPOMSA-N 0 1 289.350 3.570 20 0 CHADMN CCc1ccc([C@H](CO)N[C@H]2CCCc3occc32)cc1 ZINC000447575468 330870688 /nfs/dbraw/zinc/87/06/88/330870688.db2.gz SWAAQXYNYGHIMR-IRXDYDNUSA-N 0 1 285.387 3.543 20 0 CHADMN CC(C)[C@H](NCc1ccc2c(n1)CCCC2)c1cccnc1 ZINC000447574185 330870701 /nfs/dbraw/zinc/87/07/01/330870701.db2.gz UVJZFNBZBJVOLW-IBGZPJMESA-N 0 1 295.430 3.842 20 0 CHADMN Fc1ccc(CNCc2ccnn2C2CCCC2)cc1F ZINC000449100121 330898918 /nfs/dbraw/zinc/89/89/18/330898918.db2.gz WCUGYPBDBBRVGG-UHFFFAOYSA-N 0 1 291.345 3.566 20 0 CHADMN Cc1cccc([C@@H](C)NCc2ccncc2F)c1C ZINC000449137668 330901291 /nfs/dbraw/zinc/90/12/91/330901291.db2.gz GGRKQUWOFHAZCK-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN CCOc1cc(C)ccc1CNCc1cc2cccnc2o1 ZINC000449186116 330904611 /nfs/dbraw/zinc/90/46/11/330904611.db2.gz HLZFRPQZFXKXFQ-UHFFFAOYSA-N 0 1 296.370 3.825 20 0 CHADMN C[C@H](Cc1ccoc1)NCc1nnc(-c2ccccc2)s1 ZINC000449192249 330905182 /nfs/dbraw/zinc/90/51/82/330905182.db2.gz TZXNOESEIMOWKL-GFCCVEGCSA-N 0 1 299.399 3.519 20 0 CHADMN CC(C)(C)c1nnc(CN[C@H]2CCCC23CCC3)s1 ZINC000449196816 330905576 /nfs/dbraw/zinc/90/55/76/330905576.db2.gz ZFWGUWLOYWBMJZ-NSHDSACASA-N 0 1 279.453 3.648 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cc(F)cc(OC)c1 ZINC000449201353 330905786 /nfs/dbraw/zinc/90/57/86/330905786.db2.gz GRBPRZVBLJNJBX-GFCCVEGCSA-N 0 1 288.366 3.643 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CNCc1ccncc1F ZINC000449272632 330911218 /nfs/dbraw/zinc/91/12/18/330911218.db2.gz WOBHDSXGZUWJFS-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Fc1cccc2c1CCC[C@@H]2NCc1cccc2c1OCO2 ZINC000449346869 330916877 /nfs/dbraw/zinc/91/68/77/330916877.db2.gz AQYBZBVXLRHCMO-INIZCTEOSA-N 0 1 299.345 3.722 20 0 CHADMN Cc1cc(CNCc2cnc(C3CCCC3)s2)ccn1 ZINC000449401272 330922629 /nfs/dbraw/zinc/92/26/29/330922629.db2.gz GHUCVEIVOBRSHL-UHFFFAOYSA-N 0 1 287.432 3.794 20 0 CHADMN Cc1ccoc1CN1CC(c2ccc(Cl)cc2)C1 ZINC000449557766 330936457 /nfs/dbraw/zinc/93/64/57/330936457.db2.gz TVBQLNHHRWXEQC-UHFFFAOYSA-N 0 1 261.752 3.841 20 0 CHADMN Cn1cccc1CN1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000449665903 330942896 /nfs/dbraw/zinc/94/28/96/330942896.db2.gz OGDPSSOOANWDKU-UHFFFAOYSA-N 0 1 294.320 3.643 20 0 CHADMN c1snnc1CNC[C@H]1CCCC[C@H]1c1ccccc1 ZINC000449688866 330943692 /nfs/dbraw/zinc/94/36/92/330943692.db2.gz IJOPUHMAXSFASA-ZBFHGGJFSA-N 0 1 287.432 3.602 20 0 CHADMN COc1c(O)cccc1CN[C@@H](C)c1cccc(C)c1 ZINC000449773897 330949241 /nfs/dbraw/zinc/94/92/41/330949241.db2.gz JHIXSGPNYJLOTA-ZDUSSCGKSA-N 0 1 271.360 3.560 20 0 CHADMN CC[C@H](CC(F)(F)F)C(=O)Nc1cccc(Cl)c1O ZINC000449859599 330952435 /nfs/dbraw/zinc/95/24/35/330952435.db2.gz YDCMVPJEQVCUCD-SSDOTTSWSA-N 0 1 295.688 3.963 20 0 CHADMN C[C@@]1(C(=O)Nc2cccc(Cl)c2O)CC=CCC1 ZINC000450402898 330976543 /nfs/dbraw/zinc/97/65/43/330976543.db2.gz CQKCRCDKCDBNFK-CQSZACIVSA-N 0 1 265.740 3.731 20 0 CHADMN Cc1nccc(N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1Cl ZINC000450674920 330992799 /nfs/dbraw/zinc/99/27/99/330992799.db2.gz CLVHVZVCWPGBEJ-NFAWXSAZSA-N 0 1 294.826 3.563 20 0 CHADMN COc1cc(CN[C@@H](C)c2cncc(F)c2)ccc1Cl ZINC000450717766 330995422 /nfs/dbraw/zinc/99/54/22/330995422.db2.gz LUHBYDQXIMQARU-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN CCCC[C@H](N[C@H](C)c1csnn1)C1CCC1 ZINC000450729906 330996564 /nfs/dbraw/zinc/99/65/64/330996564.db2.gz USFSXXSGVHBZKT-PWSUYJOCSA-N 0 1 253.415 3.548 20 0 CHADMN C[C@H](N[C@@H](C)[C@@H](C)C1CCCCC1)c1csnn1 ZINC000450730293 330996683 /nfs/dbraw/zinc/99/66/83/330996683.db2.gz VZOLNRKRIJLASG-WOPDTQHZSA-N 0 1 267.442 3.794 20 0 CHADMN CO[C@H]([C@@H](C)Nc1ccnc2cc(F)ccc21)C1CC1 ZINC000450856972 331003196 /nfs/dbraw/zinc/00/31/96/331003196.db2.gz ISQLTLMQESRVJO-QLJPJBMISA-N 0 1 274.339 3.599 20 0 CHADMN CO[C@@H]([C@H](C)Nc1ccnc2cc(F)ccc21)C1CC1 ZINC000450856971 331003258 /nfs/dbraw/zinc/00/32/58/331003258.db2.gz ISQLTLMQESRVJO-QFYYESIMSA-N 0 1 274.339 3.599 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)N([C@H](C)c3csnn3)C2)cc1 ZINC000450873358 331004072 /nfs/dbraw/zinc/00/40/72/331004072.db2.gz JXWSSOVZDVMPRL-UMVBOHGHSA-N 0 1 287.432 3.786 20 0 CHADMN CC(=O)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000450885726 331004775 /nfs/dbraw/zinc/00/47/75/331004775.db2.gz CXOUMVLJLOZXAU-QMTHXVAHSA-N 0 1 285.309 3.662 20 0 CHADMN Cc1ccccc1[C@]1(F)CCN(CC2CC(F)(F)C2)C1 ZINC000450924076 331007355 /nfs/dbraw/zinc/00/73/55/331007355.db2.gz FHKXMJUVPWNGGH-HNNXBMFYSA-N 0 1 283.337 3.911 20 0 CHADMN FC1(F)CCCC[C@H]1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000450975704 331009502 /nfs/dbraw/zinc/00/95/02/331009502.db2.gz BANFWKADSCECEW-GXTWGEPZSA-N 0 1 283.366 3.762 20 0 CHADMN CC(=O)c1ccc(CN2CCC=C(c3ccncc3)C2)cc1 ZINC000450993096 331010907 /nfs/dbraw/zinc/01/09/07/331010907.db2.gz TVONOTJICTWDCB-UHFFFAOYSA-N 0 1 292.382 3.574 20 0 CHADMN CC[C@@H](CC(C)C)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000451129079 331016780 /nfs/dbraw/zinc/01/67/80/331016780.db2.gz LXEFMXGWOMKSMR-LBPRGKRZSA-N 0 1 273.380 3.882 20 0 CHADMN CC[C@@H]1CCC[C@H]1C(=O)Nc1cc2cn[nH]c2cc1C ZINC000451131053 331016843 /nfs/dbraw/zinc/01/68/43/331016843.db2.gz RNARKAMFGCKOIW-DGCLKSJQSA-N 0 1 271.364 3.636 20 0 CHADMN COC[C@@]1(C)CC[N@@H+](Cc2c(C)cccc2Cl)C1 ZINC000451203004 331020518 /nfs/dbraw/zinc/02/05/18/331020518.db2.gz OTRRDDXTTLVNPK-HNNXBMFYSA-N 0 1 267.800 3.507 20 0 CHADMN CS[C@H]1CCN(Cc2nc(-c3ccccc3)oc2C)C1 ZINC000451318865 331024216 /nfs/dbraw/zinc/02/42/16/331024216.db2.gz XPPQHNHUTRUNIR-AWEZNQCLSA-N 0 1 288.416 3.587 20 0 CHADMN CC(C)(C)c1cc(CN2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)no1 ZINC000451361084 331025681 /nfs/dbraw/zinc/02/56/81/331025681.db2.gz GGCWKUNTQNGOQW-SDCOAXJVSA-N 0 1 286.419 3.616 20 0 CHADMN CC(C)(C)c1cc(CN2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)no1 ZINC000451361083 331025762 /nfs/dbraw/zinc/02/57/62/331025762.db2.gz GGCWKUNTQNGOQW-OSDKZWGASA-N 0 1 286.419 3.616 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC(CF)CC1 ZINC000451386793 331026876 /nfs/dbraw/zinc/02/68/76/331026876.db2.gz AYQWFQJYGUBYQV-SNVBAGLBSA-N 0 1 257.299 3.707 20 0 CHADMN FCC1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000451388863 331026994 /nfs/dbraw/zinc/02/69/94/331026994.db2.gz NEGGOIHPMFRLAW-UHFFFAOYSA-N 0 1 273.754 3.703 20 0 CHADMN CCC[C@@H](NCc1nc(C(C)(C)C)no1)C(C)(C)C ZINC000451423449 331028786 /nfs/dbraw/zinc/02/87/86/331028786.db2.gz RNKOGAKZCJQBCJ-LLVKDONJSA-N 0 1 267.417 3.672 20 0 CHADMN CC(C)(C)c1cc(CN[C@@H]2CCC23CCCC3)no1 ZINC000451456029 331030122 /nfs/dbraw/zinc/03/01/22/331030122.db2.gz KXIMKXHYHKQPDO-CYBMUJFWSA-N 0 1 262.397 3.785 20 0 CHADMN CCO[C@@H]1CCN(Cc2nc3ccccc3s2)C[C@H]1C ZINC000451524260 331032438 /nfs/dbraw/zinc/03/24/38/331032438.db2.gz KVAMFTFSXZBIMS-TZMCWYRMSA-N 0 1 290.432 3.543 20 0 CHADMN CCO[C@@H]1CCN(Cc2nc3ccccc3s2)C[C@@H]1C ZINC000451524254 331032472 /nfs/dbraw/zinc/03/24/72/331032472.db2.gz KVAMFTFSXZBIMS-GXTWGEPZSA-N 0 1 290.432 3.543 20 0 CHADMN CCC1CCN(Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000510616156 332907940 /nfs/dbraw/zinc/90/79/40/332907940.db2.gz FAKHMWMMBWDWKS-UHFFFAOYSA-N 0 1 297.826 3.979 20 0 CHADMN CC1(C)CC[C@@H](CN2CC3(CCC3)[C@H]2c2ccco2)O1 ZINC000451849299 331044648 /nfs/dbraw/zinc/04/46/48/331044648.db2.gz HGRRYDKLZBHADX-DZGCQCFKSA-N 0 1 275.392 3.764 20 0 CHADMN CCSCCN1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451878995 331045840 /nfs/dbraw/zinc/04/58/40/331045840.db2.gz OYIRUXYGIJMEHY-OAHLLOKOSA-N 0 1 289.448 3.843 20 0 CHADMN C[C@@H](F)CCN1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451879677 331046028 /nfs/dbraw/zinc/04/60/28/331046028.db2.gz SCLACDQKVNHBCF-DOMZBBRYSA-N 0 1 275.371 3.838 20 0 CHADMN CC[C@@H]1CC[C@H](C)N(Cc2nc(-c3ccsc3)no2)C1 ZINC000451958668 331048269 /nfs/dbraw/zinc/04/82/69/331048269.db2.gz CMZCLDJNFCRCSX-NWDGAFQWSA-N 0 1 291.420 3.809 20 0 CHADMN Fc1ccc([C@H]2CCCN2CCc2cscn2)c(F)c1 ZINC000451972704 331049056 /nfs/dbraw/zinc/04/90/56/331049056.db2.gz OYUIVPYYIDARFM-OAHLLOKOSA-N 0 1 294.370 3.801 20 0 CHADMN C[C@H]1CCC(C)(C)N1Cc1nc(CCc2ccccc2)no1 ZINC000452003302 331050051 /nfs/dbraw/zinc/05/00/51/331050051.db2.gz GCKDVOCDINPMNQ-AWEZNQCLSA-N 0 1 299.418 3.618 20 0 CHADMN CO[C@@H](C)c1nc(CN2[C@H](C)CCC2(C)C)cs1 ZINC000452007013 331050171 /nfs/dbraw/zinc/05/01/71/331050171.db2.gz MTRLCKWSFPKADU-MNOVXSKESA-N 0 1 268.426 3.613 20 0 CHADMN CCCc1nc(CN[C@@H]2CCCC[C@H]2OCC)cs1 ZINC000452035952 331051406 /nfs/dbraw/zinc/05/14/06/331051406.db2.gz YTQNKTWJNGHTNY-ZIAGYGMSSA-N 0 1 282.453 3.533 20 0 CHADMN C[C@H](NCc1ncc(C2CC2)o1)[C@H]1CCC[C@@H](C)C1 ZINC000452063123 331052510 /nfs/dbraw/zinc/05/25/10/331052510.db2.gz VNUQHMHLRFRQMD-DYEKYZERSA-N 0 1 262.397 3.856 20 0 CHADMN Cc1cccc([C@H](C)NCc2nc3cccnc3s2)c1 ZINC000452076032 331053122 /nfs/dbraw/zinc/05/31/22/331053122.db2.gz CHOTZPIFBDESNA-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN COC(=O)c1oc(CN[C@@H](C)c2cccc(C)c2)cc1C ZINC000452098079 331054001 /nfs/dbraw/zinc/05/40/01/331054001.db2.gz YXUQJXXXTIYQQK-ZDUSSCGKSA-N 0 1 287.359 3.534 20 0 CHADMN COCc1cc(CN[C@@H](C)c2cccc(O)c2)ccc1F ZINC000194895984 331072141 /nfs/dbraw/zinc/07/21/41/331072141.db2.gz CJQDYNIWRDUIKC-LBPRGKRZSA-N 0 1 289.350 3.529 20 0 CHADMN CC(C)C[C@@]1(C)CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000452989915 331082846 /nfs/dbraw/zinc/08/28/46/331082846.db2.gz QLXDHSYTUXEKOT-QGZVFWFLSA-N 0 1 285.391 3.604 20 0 CHADMN CC[C@H](NCc1ccc(OCC2CC2)nc1)c1ccncc1 ZINC000453076925 331086914 /nfs/dbraw/zinc/08/69/14/331086914.db2.gz AOUSHTOMAACSHQ-KRWDZBQOSA-N 0 1 297.402 3.506 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H]2CCCCc3ccccc32)c2nccn21 ZINC000453083736 331087508 /nfs/dbraw/zinc/08/75/08/331087508.db2.gz FERRZEIFAGILBR-XYPHTWIQSA-N 0 1 281.403 3.946 20 0 CHADMN C[C@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccncn1 ZINC000453101814 331089146 /nfs/dbraw/zinc/08/91/46/331089146.db2.gz YURHAXYHDKFVJK-ZBEGNZNMSA-N 0 1 287.794 3.932 20 0 CHADMN Cc1[nH]c2c(cc(C)cc2CN[C@H](C)c2ccncn2)c1C ZINC000453112077 331090166 /nfs/dbraw/zinc/09/01/66/331090166.db2.gz SREPTIGGDFFWBW-CQSZACIVSA-N 0 1 294.402 3.734 20 0 CHADMN CC[C@@H](NCC(=O)N(C)C1CCCCC1)c1ccsc1 ZINC000453131964 331092576 /nfs/dbraw/zinc/09/25/76/331092576.db2.gz MFRGUZZOEQCFSG-OAHLLOKOSA-N 0 1 294.464 3.580 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](CO)c2cccc(F)c2)cs1 ZINC000453139289 331093255 /nfs/dbraw/zinc/09/32/55/331093255.db2.gz IBPYWDUATKSZLX-IAQYHMDHSA-N 0 1 279.380 3.580 20 0 CHADMN C[C@H](N[C@@H]1c2cccc(F)c2CC[C@@H]1C)c1ccncn1 ZINC000453149201 331094283 /nfs/dbraw/zinc/09/42/83/331094283.db2.gz ZUPPSTIZVDACJM-PRXAMGSTSA-N 0 1 285.366 3.590 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H]1CCc2c1cccc2C ZINC000453158441 331095360 /nfs/dbraw/zinc/09/53/60/331095360.db2.gz LNOXYACMZOSMIH-BBRMVZONSA-N 0 1 269.392 3.550 20 0 CHADMN C[C@@H]1CC[C@H](N[C@@H](CCO)c2ccco2)c2sccc21 ZINC000453188644 331099060 /nfs/dbraw/zinc/09/90/60/331099060.db2.gz ABLOUYHBHYDAHF-XBFCOCLRSA-N 0 1 291.416 3.993 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](N[C@H](C)c1ccncn1)CC2 ZINC000453193498 331099687 /nfs/dbraw/zinc/09/96/87/331099687.db2.gz FHOJBZXGMVZLDD-ACJLOTCBSA-N 0 1 281.403 3.938 20 0 CHADMN CC[C@@H](NCc1ccc2c(n1)CCCC2)c1ccncc1 ZINC000453201874 331100867 /nfs/dbraw/zinc/10/08/67/331100867.db2.gz CSKPOBCDHJUQON-QGZVFWFLSA-N 0 1 281.403 3.596 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1ccsc1)c1ccsc1 ZINC000453206281 331101331 /nfs/dbraw/zinc/10/13/31/331101331.db2.gz XZNOUJAPOFGSKG-OLZOCXBDSA-N 0 1 267.419 3.584 20 0 CHADMN CC[C@@H](Nc1cc2c(cn1)CCCC2)c1ccncc1 ZINC000453236530 331105069 /nfs/dbraw/zinc/10/50/69/331105069.db2.gz JZULZHGEJMWJEM-MRXNPFEDSA-N 0 1 267.376 3.919 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccncn1)c1cccc(C2CC2)c1 ZINC000453249831 331107394 /nfs/dbraw/zinc/10/73/94/331107394.db2.gz VNHGHDAPPNCDAG-OLZOCXBDSA-N 0 1 267.376 3.766 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(C2CC2)c1)c1ccncn1 ZINC000453249834 331107446 /nfs/dbraw/zinc/10/74/46/331107446.db2.gz VNHGHDAPPNCDAG-QWHCGFSZSA-N 0 1 267.376 3.766 20 0 CHADMN C[C@@H](N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1)C1CC1 ZINC000453290703 331111737 /nfs/dbraw/zinc/11/17/37/331111737.db2.gz LGSGTSCOFOGDTD-BDJLRTHQSA-N 0 1 289.810 3.551 20 0 CHADMN CCn1ccnc1CN[C@@H]1CC[C@H](C)c2ccsc21 ZINC000453304417 331113692 /nfs/dbraw/zinc/11/36/92/331113692.db2.gz BDEHPAVKJUAFAR-WCQYABFASA-N 0 1 275.421 3.693 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1cc2c(s1)CCC2 ZINC000453338302 331118790 /nfs/dbraw/zinc/11/87/90/331118790.db2.gz FVPBNPHCAMPRPF-NTZNESFSSA-N 0 1 287.432 3.790 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H](C)c1cc2c(s1)CCC2 ZINC000453347565 331120278 /nfs/dbraw/zinc/12/02/78/331120278.db2.gz KRKUCANSEIFVTM-RYUDHWBXSA-N 0 1 289.448 3.865 20 0 CHADMN CCC[C@@H](NCc1cnc(CC)o1)c1ccccc1 ZINC000453349876 331120539 /nfs/dbraw/zinc/12/05/39/331120539.db2.gz FXBOHGDQMXZYQS-OAHLLOKOSA-N 0 1 258.365 3.868 20 0 CHADMN C[C@@H](N[C@@H]1CCCN(C)c2ccccc21)c1ccc(F)cn1 ZINC000453353954 331121172 /nfs/dbraw/zinc/12/11/72/331121172.db2.gz IAKTZUSEYAOATN-CXAGYDPISA-N 0 1 299.393 3.843 20 0 CHADMN c1cc2c(s1)CCC[C@H]2NCc1cnc(C2CC2)o1 ZINC000453371693 331124054 /nfs/dbraw/zinc/12/40/54/331124054.db2.gz UPMVWRUKOOYTHA-CYBMUJFWSA-N 0 1 274.389 3.781 20 0 CHADMN CCC[C@H](NCc1ncccc1OC)c1ccccc1 ZINC000453382587 331125976 /nfs/dbraw/zinc/12/59/76/331125976.db2.gz ZFHRETDNONWCBK-HNNXBMFYSA-N 0 1 270.376 3.721 20 0 CHADMN CCc1ncc(CN[C@H](c2ccc(F)c(C)c2)C2CC2)o1 ZINC000453387335 331126721 /nfs/dbraw/zinc/12/67/21/331126721.db2.gz OTBNFQVIQSYMJL-KRWDZBQOSA-N 0 1 288.366 3.925 20 0 CHADMN CCc1ncc(CN[C@H]2CCCc3cc(F)ccc32)o1 ZINC000453393454 331127637 /nfs/dbraw/zinc/12/76/37/331127637.db2.gz RSLQDANJWLODLT-HNNXBMFYSA-N 0 1 274.339 3.543 20 0 CHADMN CC1(C)C[C@H](CN[C@@H](Cc2ccccc2)C(F)F)CCO1 ZINC000453429904 331131249 /nfs/dbraw/zinc/13/12/49/331131249.db2.gz QPKYAJLMQDBUOB-CABCVRRESA-N 0 1 297.389 3.658 20 0 CHADMN Cc1cccc(CN(Cc2cnn(C)c2)CC(C)C)c1F ZINC000453606726 331136125 /nfs/dbraw/zinc/13/61/25/331136125.db2.gz DZEDXLXNAVKOQV-UHFFFAOYSA-N 0 1 289.398 3.526 20 0 CHADMN CC(C)[C@H]1C[C@@H](Nc2ccc3cnccc3c2)CCO1 ZINC000453610410 331136374 /nfs/dbraw/zinc/13/63/74/331136374.db2.gz HEILIKIIXDETET-DLBZAZTESA-N 0 1 270.376 3.850 20 0 CHADMN CC[C@]1(C(C)C)C[C@@H]1NCc1ncc(Cl)s1 ZINC000453616034 331136688 /nfs/dbraw/zinc/13/66/88/331136688.db2.gz RFKZUGYRPXJQER-JOYOIKCWSA-N 0 1 258.818 3.711 20 0 CHADMN CC[C@@]1(C(C)C)C[C@@H]1NCc1nccn1Cc1ccccc1 ZINC000453621826 331136964 /nfs/dbraw/zinc/13/69/64/331136964.db2.gz YKUFHLIAHLIISK-HKUYNNGSSA-N 0 1 297.446 3.846 20 0 CHADMN C[C@H]1CC[C@@H](CNCc2csc(Cl)c2Cl)O1 ZINC000453633260 331137275 /nfs/dbraw/zinc/13/72/75/331137275.db2.gz RHAPARVGGZOXCF-CBAPKCEASA-N 0 1 280.220 3.712 20 0 CHADMN C[C@@H]1CC[C@H](CNCc2csc(-c3ccsc3)n2)O1 ZINC000453636291 331137338 /nfs/dbraw/zinc/13/73/38/331137338.db2.gz WMFFGCXHPJMJEC-ZWNOBZJWSA-N 0 1 294.445 3.529 20 0 CHADMN CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000455628061 331174362 /nfs/dbraw/zinc/17/43/62/331174362.db2.gz QANKUMWUBBEFNP-HNNXBMFYSA-N 0 1 275.392 3.785 20 0 CHADMN CC(C)=CCC[C@@H](C)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000456062762 331183717 /nfs/dbraw/zinc/18/37/17/331183717.db2.gz ODBGDSIYHHJQGT-GFCCVEGCSA-N 0 1 285.391 3.736 20 0 CHADMN CC(C)[C@@H]1CN(C(=O)c2ccc(O)c(Cl)c2)[C@H]1C(C)C ZINC000456306330 331189656 /nfs/dbraw/zinc/18/96/56/331189656.db2.gz XMYSFZPLDDTYKW-WFASDCNBSA-N 0 1 295.810 3.798 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@@H](C(C)C)[C@@H]1C(C)C ZINC000456326415 331190102 /nfs/dbraw/zinc/19/01/02/331190102.db2.gz ISVWEPXXLJMPBR-BBRMVZONSA-N 0 1 291.439 3.594 20 0 CHADMN C[C@H](Cc1cccc(C(F)(F)F)c1)N[C@@H](C)c1ccon1 ZINC000467393396 331236918 /nfs/dbraw/zinc/23/69/18/331236918.db2.gz ZYHOOPIEOFMEMC-MNOVXSKESA-N 0 1 298.308 3.975 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@H]3COCC[C@H]32)c(Cl)c1 ZINC000459361026 331278289 /nfs/dbraw/zinc/27/82/89/331278289.db2.gz RRTMDUHDUOTTAJ-BLLLJJGKSA-N 0 1 297.801 3.788 20 0 CHADMN CC(C)c1ccc(CNCc2cnc(C3CC3)nc2)cc1 ZINC000459395955 331279744 /nfs/dbraw/zinc/27/97/44/331279744.db2.gz PTMJSNNAWHAAHX-UHFFFAOYSA-N 0 1 281.403 3.767 20 0 CHADMN CC(C)c1nnc(CNC2CC(C(C)(C)C)C2)s1 ZINC000459444181 331281617 /nfs/dbraw/zinc/28/16/17/331281617.db2.gz RCUZAJFJOGNMDC-UHFFFAOYSA-N 0 1 267.442 3.576 20 0 CHADMN Cc1cc(CN[C@H](C)CSc2ccc(C)cc2)no1 ZINC000459522225 331285899 /nfs/dbraw/zinc/28/58/99/331285899.db2.gz HRLGFAXCTDRRAT-GFCCVEGCSA-N 0 1 276.405 3.562 20 0 CHADMN C[C@@H](NC1CC(C(C)(C)C)C1)c1c(F)cncc1F ZINC000459545772 331287119 /nfs/dbraw/zinc/28/71/19/331287119.db2.gz HDDZPDGGMTTWGP-KPPDAEKUSA-N 0 1 268.351 3.835 20 0 CHADMN CCSc1cccc(CNCc2cnc(C3CC3)nc2)c1 ZINC000459555087 331287403 /nfs/dbraw/zinc/28/74/03/331287403.db2.gz GZHCCXZXGWFUNP-UHFFFAOYSA-N 0 1 299.443 3.756 20 0 CHADMN CC(C)c1ncc(CN2CC3(C2)CCCC3)s1 ZINC000459555553 331287650 /nfs/dbraw/zinc/28/76/50/331287650.db2.gz CZLDBNCKZRYUSV-UHFFFAOYSA-N 0 1 250.411 3.643 20 0 CHADMN FC1(F)CCC12CN(Cc1ccc(C3CC3)cc1)C2 ZINC000459562927 331288000 /nfs/dbraw/zinc/28/80/00/331288000.db2.gz NXQXCOQKJIKJRZ-UHFFFAOYSA-N 0 1 263.331 3.795 20 0 CHADMN c1[nH]c(-c2ccccc2)nc1C[NH+]1CC2(C1)CCCCC2 ZINC000459592992 331289731 /nfs/dbraw/zinc/28/97/31/331289731.db2.gz IFVNWJYJURDJEU-UHFFFAOYSA-N 0 1 281.403 3.843 20 0 CHADMN Cc1nc2scc(C3CC3)n2c1CN[C@H]1CCC[C@H]1F ZINC000459599149 331289964 /nfs/dbraw/zinc/28/99/64/331289964.db2.gz XGXDOAYNDKJJOA-NEPJUHHUSA-N 0 1 293.411 3.562 20 0 CHADMN C[C@@H]1CCCC[C@@]1(C)NCc1nc(C2CCCC2)no1 ZINC000459605970 331290368 /nfs/dbraw/zinc/29/03/68/331290368.db2.gz DSYSKZBMJLYMBF-MLGOLLRUSA-N 0 1 277.412 3.786 20 0 CHADMN CCC1(C)CN(Cc2ccc(SC)c(OC)c2)C1 ZINC000459642131 331291672 /nfs/dbraw/zinc/29/16/72/331291672.db2.gz YWMXWDFMZBJZLB-UHFFFAOYSA-N 0 1 265.422 3.649 20 0 CHADMN C[C@H](NCc1ccc2c(c1)CCCC2)c1cncc(F)c1 ZINC000459647489 331292029 /nfs/dbraw/zinc/29/20/29/331292029.db2.gz KBADJXZKBLKGOC-ZDUSSCGKSA-N 0 1 284.378 3.950 20 0 CHADMN CCOC[C@H]1CCCCN1Cc1cc2c(cccc2F)[nH]1 ZINC000459677233 331293760 /nfs/dbraw/zinc/29/37/60/331293760.db2.gz PNWDODZCHUBTKX-CQSZACIVSA-N 0 1 290.382 3.698 20 0 CHADMN CCOC[C@H]1CCCCN1Cc1nc2ccccc2s1 ZINC000459727612 331296156 /nfs/dbraw/zinc/29/61/56/331296156.db2.gz YYRBAXBUYSMZRE-CYBMUJFWSA-N 0 1 290.432 3.687 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)N(C)Cc1nc2ccccc2[nH]1 ZINC000459745969 331297762 /nfs/dbraw/zinc/29/77/62/331297762.db2.gz INLWDLZWGALIJN-ZDUSSCGKSA-N 0 1 297.377 3.765 20 0 CHADMN C[C@H](O)C[C@@H]1CCCCN1Cc1ccc(Cl)cc1F ZINC000165125760 331305898 /nfs/dbraw/zinc/30/58/98/331305898.db2.gz PWVROYWDLDOTHO-FZMZJTMJSA-N 0 1 285.790 3.605 20 0 CHADMN c1ccc([C@H](N[C@H]2CCCSC2)c2ccccn2)cc1 ZINC000166118071 331306571 /nfs/dbraw/zinc/30/65/71/331306571.db2.gz XEHSVUVYCFIULE-RDJZCZTQSA-N 0 1 284.428 3.656 20 0 CHADMN c1ccc([C@@H](N[C@H]2CCCSC2)c2ccccn2)cc1 ZINC000166118185 331306757 /nfs/dbraw/zinc/30/67/57/331306757.db2.gz XEHSVUVYCFIULE-DOTOQJQBSA-N 0 1 284.428 3.656 20 0 CHADMN CC(C)c1ccc(C[C@@H]2CCN(Cc3nccn3C)C2)cc1 ZINC000460984585 331310022 /nfs/dbraw/zinc/31/00/22/331310022.db2.gz WDSGZQHQHDWOIV-KRWDZBQOSA-N 0 1 297.446 3.608 20 0 CHADMN Cn1cc(CNc2cc3c(cn2)CCCC3)c(C(C)(C)C)n1 ZINC000461184750 331311733 /nfs/dbraw/zinc/31/17/33/331311733.db2.gz HSFBCQXCMJKUHZ-UHFFFAOYSA-N 0 1 298.434 3.604 20 0 CHADMN Cc1ccsc1CNc1cc2c(cn1)CCCC2 ZINC000461209755 331311988 /nfs/dbraw/zinc/31/19/88/331311988.db2.gz XZLPWVXRGHAIQF-UHFFFAOYSA-N 0 1 258.390 3.942 20 0 CHADMN Cc1cn2[nH]c(=Nc3cccc(C4CCC4)c3)sc2n1 ZINC000461867762 331314996 /nfs/dbraw/zinc/31/49/96/331314996.db2.gz RBJUVXKDADZTEC-UHFFFAOYSA-N 0 1 284.388 3.532 20 0 CHADMN CCC[C@@H]1C[C@H]1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000462500882 331322976 /nfs/dbraw/zinc/32/29/76/331322976.db2.gz LPSPYIVZSGJIKI-VXNVDRBHSA-N 0 1 271.719 3.559 20 0 CHADMN Cc1cc([C@H](C)NCCc2ccc(Cl)c(C)c2)no1 ZINC000462803834 331329335 /nfs/dbraw/zinc/32/93/35/331329335.db2.gz RJWFGYPZOKGRDB-LBPRGKRZSA-N 0 1 278.783 3.838 20 0 CHADMN Oc1ccc2c(c1)C1(CC1)CN(C/C=C/c1ccccc1)C2 ZINC000462833677 331331965 /nfs/dbraw/zinc/33/19/65/331331965.db2.gz MENRNULRACCLPC-QPJJXVBHSA-N 0 1 291.394 3.953 20 0 CHADMN COc1ccc(F)cc1CN1CC[C@@H]1Cc1ccccc1 ZINC000462949856 331335856 /nfs/dbraw/zinc/33/58/56/331335856.db2.gz DACSEZCBONCMGM-QGZVFWFLSA-N 0 1 285.362 3.651 20 0 CHADMN CC1(C)[C@H](Nc2cc3c(cn2)CCCC3)[C@@H]2CCCO[C@H]21 ZINC000462962731 331336115 /nfs/dbraw/zinc/33/61/15/331336115.db2.gz JAFHBNSIUPMXGS-USXIJHARSA-N 0 1 286.419 3.576 20 0 CHADMN CCC[C@@H]1C[C@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000463058174 331338975 /nfs/dbraw/zinc/33/89/75/331338975.db2.gz YNTGCNXIFAUBIY-MWLCHTKSSA-N 0 1 268.320 3.517 20 0 CHADMN CC(C)C[C@H]1CCN(Cc2cncc(C(F)(F)F)c2)C1 ZINC000463085763 331340006 /nfs/dbraw/zinc/34/00/06/331340006.db2.gz NIFJDRIVPJTABK-GFCCVEGCSA-N 0 1 286.341 3.968 20 0 CHADMN CCN(Cc1nc(-c2ccccc2)no1)CC(C)(C)C ZINC000463375032 331346836 /nfs/dbraw/zinc/34/68/36/331346836.db2.gz GJZOZTSBNFFKJH-UHFFFAOYSA-N 0 1 273.380 3.605 20 0 CHADMN CC(C)Cc1noc(CN[C@H]2CCCCC23CCCC3)n1 ZINC000463435942 331347707 /nfs/dbraw/zinc/34/77/07/331347707.db2.gz MAAXCUXSBMRTGS-AWEZNQCLSA-N 0 1 291.439 3.861 20 0 CHADMN COc1ccc(CN[C@@H](C)CC(F)(F)F)c(Cl)c1 ZINC000463714677 331350879 /nfs/dbraw/zinc/35/08/79/331350879.db2.gz XOGYAEZAKANGCJ-QMMMGPOBSA-N 0 1 281.705 3.779 20 0 CHADMN C[C@H]1CCCCCN1Cc1nnc(-c2ccccc2)s1 ZINC000464676968 331364512 /nfs/dbraw/zinc/36/45/12/331364512.db2.gz KSZUSMBILWOSDI-ZDUSSCGKSA-N 0 1 287.432 3.970 20 0 CHADMN CC(C)[C@H]1CCN(Cc2nnc(-c3ccccc3)s2)C1 ZINC000464678901 331364515 /nfs/dbraw/zinc/36/45/15/331364515.db2.gz RLSGLTXDHUKDIA-AWEZNQCLSA-N 0 1 287.432 3.683 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2nc3ccccc3o2)C1 ZINC000464768423 331366918 /nfs/dbraw/zinc/36/69/18/331366918.db2.gz AKWLJDRHISNGPG-INIZCTEOSA-N 0 1 258.365 3.840 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2ccc(F)c(F)c2)CCS1 ZINC000464789571 331368434 /nfs/dbraw/zinc/36/84/34/331368434.db2.gz OVAVOCKLFHYDAT-ZYHUDNBSSA-N 0 1 271.376 3.853 20 0 CHADMN CCC[C@]1(C)CCCN([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000464838050 331370424 /nfs/dbraw/zinc/37/04/24/331370424.db2.gz MSHFWZFEFYFIRP-CRAIPNDOSA-N 0 1 288.435 3.916 20 0 CHADMN C[C@@H]1CN([C@@H]2C=CCCC2)[C@@H](c2ccccc2)CO1 ZINC000464848731 331371109 /nfs/dbraw/zinc/37/11/09/331371109.db2.gz XIDSCCUIFFURHV-DJIMGWMZSA-N 0 1 257.377 3.557 20 0 CHADMN CC/C=C\CCN1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000466237247 331391461 /nfs/dbraw/zinc/39/14/61/331391461.db2.gz QDQDTEAWJKPCHB-XQJUWPJRSA-N 0 1 259.393 3.805 20 0 CHADMN CN(C)Cc1cc(N[C@@H]2CCCSC2)ccc1Cl ZINC000466421577 331396238 /nfs/dbraw/zinc/39/62/38/331396238.db2.gz FYYPADWCQYZNFV-CYBMUJFWSA-N 0 1 284.856 3.709 20 0 CHADMN Cc1ccc(CN[C@H]2COc3ccc(F)cc32)c(C)c1 ZINC000466475692 331398108 /nfs/dbraw/zinc/39/81/08/331398108.db2.gz VJBZCJYUWHMZDI-INIZCTEOSA-N 0 1 271.335 3.666 20 0 CHADMN COc1ccccc1/C=C/CN[C@H]1COc2ccc(F)cc21 ZINC000466472701 331398116 /nfs/dbraw/zinc/39/81/16/331398116.db2.gz HJTNLTUFWZTLQK-NBUZRDOWSA-N 0 1 299.345 3.571 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H]2COc3ccc(F)cc32)cc1 ZINC000468026322 331426869 /nfs/dbraw/zinc/42/68/69/331426869.db2.gz NGIUUTPYCCOUCC-WBMJQRKESA-N 0 1 271.335 3.918 20 0 CHADMN Cc1nc2ccccn2c1CNC1(c2ccc(F)cc2)CC1 ZINC000468900340 331442035 /nfs/dbraw/zinc/44/20/35/331442035.db2.gz IFWNYZXXFYHGHM-UHFFFAOYSA-N 0 1 295.361 3.561 20 0 CHADMN C[C@H]1CCC[C@@H]1CC(=O)Nc1cccc(Cl)c1O ZINC000470406549 331481466 /nfs/dbraw/zinc/48/14/66/331481466.db2.gz BWZJMGMLHTZNQX-VHSXEESVSA-N 0 1 267.756 3.810 20 0 CHADMN C[C@@H](C(=O)Nc1cc(F)cc(Cl)c1O)C(C)(C)C ZINC000474434221 331586473 /nfs/dbraw/zinc/58/64/73/331586473.db2.gz QFPISGUZQIAMLB-ZETCQYMHSA-N 0 1 273.735 3.805 20 0 CHADMN C[C@@H]1CC[C@H](CN[C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000479559449 331737607 /nfs/dbraw/zinc/73/76/07/331737607.db2.gz ZZKSTRBMBRSNRK-QWQRMKEZSA-N 0 1 299.393 3.731 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CCCC[C@@H]1C ZINC000479859618 331749073 /nfs/dbraw/zinc/74/90/73/331749073.db2.gz JWJHZKQHEMJDAS-NSHDSACASA-N 0 1 274.339 3.761 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@@H](C)c1cccc(C)c1 ZINC000482255463 331829431 /nfs/dbraw/zinc/82/94/31/331829431.db2.gz FNXLGXQPZZFKRA-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN COC[C@H](CC(C)C)N[C@H](C)c1c(F)cccc1OC ZINC000483711045 331882808 /nfs/dbraw/zinc/88/28/08/331882808.db2.gz ITFMYDAKZJCBLJ-OLZOCXBDSA-N 0 1 283.387 3.546 20 0 CHADMN CC1=C[C@H](C)CN(c2ccnc3cc(F)ccc32)C1 ZINC000485406885 331913602 /nfs/dbraw/zinc/91/36/02/331913602.db2.gz IYAUPAQSAMLALZ-NSHDSACASA-N 0 1 256.324 3.776 20 0 CHADMN CCC1(CC)CCN(CC(=O)Nc2ccccc2C)CC1 ZINC000485854851 331925237 /nfs/dbraw/zinc/92/52/37/331925237.db2.gz NFEQFDGNHQZZQZ-UHFFFAOYSA-N 0 1 288.435 3.836 20 0 CHADMN C[C@H](NC/C=C/c1ccncc1)c1ccc(F)cc1F ZINC000486980870 331953589 /nfs/dbraw/zinc/95/35/89/331953589.db2.gz LNNRTCMYPMRJFD-JDGPPOGSSA-N 0 1 274.314 3.724 20 0 CHADMN Cc1cc(N2CC(C)(C)OC[C@@H]2C)c2cc(F)ccc2n1 ZINC000487081968 331956202 /nfs/dbraw/zinc/95/62/02/331956202.db2.gz APEVZLKQYHJJIE-LBPRGKRZSA-N 0 1 288.366 3.686 20 0 CHADMN C(=C/c1ccncc1)\CNCc1ncoc1-c1ccccc1 ZINC000487331055 331966681 /nfs/dbraw/zinc/96/66/81/331966681.db2.gz HDOSOZFYCLJJTM-SNAWJCMRSA-N 0 1 291.354 3.540 20 0 CHADMN C[C@@H](NCc1cc(COC(C)(C)C)on1)[C@H]1CC1(C)C ZINC000487547874 331973381 /nfs/dbraw/zinc/97/33/81/331973381.db2.gz ANEJYKFPVQBQMQ-BXUZGUMPSA-N 0 1 280.412 3.514 20 0 CHADMN CC(C)[C@H]1C[C@H](NCc2nc(C3CC3)cs2)CS1 ZINC000488414487 332005494 /nfs/dbraw/zinc/00/54/94/332005494.db2.gz GRIXNSHOKGDBAE-WCQYABFASA-N 0 1 282.478 3.640 20 0 CHADMN CC(C)C1CC(NCc2coc(-c3cccs3)n2)C1 ZINC000488454562 332010769 /nfs/dbraw/zinc/01/07/69/332010769.db2.gz ZFTIAMUORIUIAM-UHFFFAOYSA-N 0 1 276.405 3.927 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@@H]2CCc3c2cccc3C)n[nH]1 ZINC000488456532 332011173 /nfs/dbraw/zinc/01/11/73/332011173.db2.gz BNLBKKVVXBWLKH-NORZTCDRSA-N 0 1 298.434 3.965 20 0 CHADMN C[C@H](c1cccnc1)N(C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488586981 332019376 /nfs/dbraw/zinc/01/93/76/332019376.db2.gz XGBFARSNKLHFAP-GFCCVEGCSA-N 0 1 283.350 3.895 20 0 CHADMN O=C(CCCc1ccccc1)Nc1nc2ccc(F)cc2[nH]1 ZINC000488903582 332033066 /nfs/dbraw/zinc/03/30/66/332033066.db2.gz YKWKLZFNIKJURQ-UHFFFAOYSA-N 0 1 297.333 3.663 20 0 CHADMN CCCCC[C@@H]1CCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000489336574 332047441 /nfs/dbraw/zinc/04/74/41/332047441.db2.gz ZFIUHJUXGCHJEM-CYBMUJFWSA-N 0 1 277.412 3.718 20 0 CHADMN CCCCc1noc([C@@H](C)N(CC)C[C@@H](C)CC)n1 ZINC000489351711 332048116 /nfs/dbraw/zinc/04/81/16/332048116.db2.gz CAXJLFAINZHQSI-QWHCGFSZSA-N 0 1 267.417 3.841 20 0 CHADMN CCCC[C@H](CC)C(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000490273913 332085858 /nfs/dbraw/zinc/08/58/58/332085858.db2.gz ORRLRXPBZCAGFB-AGIUHOORSA-N 0 1 294.443 3.712 20 0 CHADMN Brc1cc(CN2CC[C@H](C3CC3)C2)cs1 ZINC000491114650 332150900 /nfs/dbraw/zinc/15/09/00/332150900.db2.gz AAVWUPQAQMMTAO-NSHDSACASA-N 0 1 286.238 3.743 20 0 CHADMN Fc1ccc(Br)c(C[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000491218643 332167462 /nfs/dbraw/zinc/16/74/62/332167462.db2.gz TUVILIGJPWNJGR-LLVKDONJSA-N 0 1 298.199 3.820 20 0 CHADMN Fc1ccc(Br)c(CN2CC[C@@H](C3CC3)C2)c1 ZINC000491218643 332167464 /nfs/dbraw/zinc/16/74/64/332167464.db2.gz TUVILIGJPWNJGR-LLVKDONJSA-N 0 1 298.199 3.820 20 0 CHADMN Cc1ccoc1CNCc1ccc2c(c1)CCCC2 ZINC000491431556 332210761 /nfs/dbraw/zinc/21/07/61/332210761.db2.gz KWJLVDNLVKGYRY-UHFFFAOYSA-N 0 1 255.361 3.757 20 0 CHADMN Cc1ccoc1CNC/C=C/c1ccc(F)c(F)c1 ZINC000491487677 332221515 /nfs/dbraw/zinc/22/15/15/332221515.db2.gz SNUJSMVCGWMENM-NSCUHMNNSA-N 0 1 263.287 3.669 20 0 CHADMN CCOc1ccc2nc(SCCCOC(C)C)[nH]c2c1 ZINC000491823789 332371090 /nfs/dbraw/zinc/37/10/90/332371090.db2.gz HFTSHJOXLFIXQK-UHFFFAOYSA-N 0 1 294.420 3.869 20 0 CHADMN O=C(/C=C/C1CCCC1)Nc1cc(Cl)c(O)cc1F ZINC000493042029 332424019 /nfs/dbraw/zinc/42/40/19/332424019.db2.gz ASXVKCNKLJJATQ-AATRIKPKSA-N 0 1 283.730 3.870 20 0 CHADMN CCOc1nnc(CN[C@@H]2CCC[C@@H]2CCC(C)C)s1 ZINC000493383599 332437867 /nfs/dbraw/zinc/43/78/67/332437867.db2.gz KJXOKRCNIIJXKS-CHWSQXEVSA-N 0 1 297.468 3.631 20 0 CHADMN CCOc1nnc(CN[C@H]2CCC[C@H]2CCC(C)C)s1 ZINC000493383607 332437889 /nfs/dbraw/zinc/43/78/89/332437889.db2.gz KJXOKRCNIIJXKS-STQMWFEESA-N 0 1 297.468 3.631 20 0 CHADMN CCc1nc(C)c(CNC/C=C/c2ccc(F)c(F)c2)o1 ZINC000494364346 332471192 /nfs/dbraw/zinc/47/11/92/332471192.db2.gz FFFIFNDSRNJPLR-SNAWJCMRSA-N 0 1 292.329 3.627 20 0 CHADMN CCCCOc1cccc(CNCc2cncc(F)c2)c1 ZINC000494558031 332478049 /nfs/dbraw/zinc/47/80/49/332478049.db2.gz ONMZZGHQVGMILF-UHFFFAOYSA-N 0 1 288.366 3.689 20 0 CHADMN COc1c(O)cccc1CNC1(c2ccccc2)CCCC1 ZINC000494636821 332481330 /nfs/dbraw/zinc/48/13/30/332481330.db2.gz YQFFLMRUJISTDK-UHFFFAOYSA-N 0 1 297.398 3.960 20 0 CHADMN Cc1ccccc1[C@H](NCc1ccn(C)n1)C1CCCC1 ZINC000495063957 332502807 /nfs/dbraw/zinc/50/28/07/332502807.db2.gz HLYJETAHACJAMA-GOSISDBHSA-N 0 1 283.419 3.750 20 0 CHADMN CCCc1noc(CN[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)n1 ZINC000495380324 332516344 /nfs/dbraw/zinc/51/63/44/332516344.db2.gz PEFZDYFYYLNKTR-MELADBBJSA-N 0 1 279.428 3.573 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCS[C@H](C)CC1 ZINC000249118992 334328423 /nfs/dbraw/zinc/32/84/23/334328423.db2.gz WQGREWLOAGYLMW-GHMZBOCLSA-N 0 1 271.376 3.853 20 0 CHADMN CCC[C@H](C)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000501902316 332642644 /nfs/dbraw/zinc/64/26/44/332642644.db2.gz XCSHDGXPEOZHLA-CABZTGNLSA-N 0 1 276.207 3.805 20 0 CHADMN CC(C)OC[C@@H](C)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000501412529 332632298 /nfs/dbraw/zinc/63/22/98/332632298.db2.gz MQMFMCXMRHWDGD-NEPJUHHUSA-N 0 1 284.469 3.905 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](c2ccc(C)cc2)C2CC2)nn1C ZINC000502394394 332656214 /nfs/dbraw/zinc/65/62/14/332656214.db2.gz UPZKEOQTPQEVGA-KSSFIOAISA-N 0 1 283.419 3.839 20 0 CHADMN Cc1cc([C@@H](C)N2CCC(Cc3ccccc3)CC2)nn1C ZINC000502394297 332656391 /nfs/dbraw/zinc/65/63/91/332656391.db2.gz SCKVGVXECZWESI-MRXNPFEDSA-N 0 1 297.446 3.744 20 0 CHADMN CC[C@@H]1C[C@]1(NCc1ccc(OC)cn1)c1cccc(C)c1 ZINC000502562100 332665603 /nfs/dbraw/zinc/66/56/03/332665603.db2.gz FUVZQXWYEKFNKI-DNVCBOLYSA-N 0 1 296.414 3.814 20 0 CHADMN COc1ccnc(CN[C@H](c2ccc(F)cc2)C(C)C)c1 ZINC000502581368 332666348 /nfs/dbraw/zinc/66/63/48/332666348.db2.gz XYUXFRAGCSKBOK-KRWDZBQOSA-N 0 1 288.366 3.716 20 0 CHADMN CC(C)=CCC[C@H](C)CC(=O)NCc1ccc2cncn2c1 ZINC000566914749 334669220 /nfs/dbraw/zinc/66/92/20/334669220.db2.gz CERCVAGMQKJPCG-HNNXBMFYSA-N 0 1 299.418 3.723 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2cc(C)cc(C)c2)nn1C ZINC000502711255 332670636 /nfs/dbraw/zinc/67/06/36/332670636.db2.gz HVDPBQNBLZMXIR-GJZGRUSLSA-N 0 1 271.408 3.757 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2cc(F)c(F)c(F)c2)C1 ZINC000505344172 332737927 /nfs/dbraw/zinc/73/79/27/332737927.db2.gz NWNZCDRSMDWYHV-UWVGGRQHSA-N 0 1 257.299 3.582 20 0 CHADMN CCCC[C@H](CC)CN1CCOC[C@H]1CC(F)F ZINC000513392195 333017066 /nfs/dbraw/zinc/01/70/66/333017066.db2.gz MQEKRAVGZHIPOH-QWHCGFSZSA-N 0 1 263.372 3.559 20 0 CHADMN CC1=C[C@H](C)CN(Cc2conc2Cc2ccccc2)C1 ZINC000513419818 333018435 /nfs/dbraw/zinc/01/84/35/333018435.db2.gz JXWQCASYTIDMRY-AWEZNQCLSA-N 0 1 282.387 3.663 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC(C)(C)C1 ZINC000175281702 333019491 /nfs/dbraw/zinc/01/94/91/333019491.db2.gz HMCDPCINAFNFSV-NSHDSACASA-N 0 1 250.386 3.765 20 0 CHADMN CC[C@H]1CO[C@@H](C)CN1Cc1csc2ccccc12 ZINC000513787197 333039275 /nfs/dbraw/zinc/03/92/75/333039275.db2.gz VENIKOQJZZZYPT-JSGCOSHPSA-N 0 1 275.417 3.901 20 0 CHADMN CCN(CC)c1ncc(-c2nc3cccc(C)c3[nH]2)s1 ZINC000513869402 333045024 /nfs/dbraw/zinc/04/50/24/333045024.db2.gz KOUSITJXDBDVQI-UHFFFAOYSA-N 0 1 286.404 3.841 20 0 CHADMN CCOc1ccccc1C[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000513888543 333046835 /nfs/dbraw/zinc/04/68/35/333046835.db2.gz BAICMJRFYRBSTE-UHFFFAOYSA-N 0 1 298.430 3.783 20 0 CHADMN CCOc1ccccc1CN(C)Cc1cccc(N(C)C)c1 ZINC000513888543 333046836 /nfs/dbraw/zinc/04/68/36/333046836.db2.gz BAICMJRFYRBSTE-UHFFFAOYSA-N 0 1 298.430 3.783 20 0 CHADMN C[C@@H](NCCF)c1ccc(OCc2ccccc2)cc1 ZINC000309953772 333051654 /nfs/dbraw/zinc/05/16/54/333051654.db2.gz PTLAZSDHCKUSTN-CQSZACIVSA-N 0 1 273.351 3.886 20 0 CHADMN CC[C@H](F)CNC1(c2ccc(Br)cc2)CC1 ZINC000310032636 333053228 /nfs/dbraw/zinc/05/32/28/333053228.db2.gz ROJDWCYZEBXTHX-LBPRGKRZSA-N 0 1 286.188 3.776 20 0 CHADMN Fc1cccc([C@@H]2CCCN2Cc2cnc3ccccn23)c1 ZINC000177268277 333056211 /nfs/dbraw/zinc/05/62/11/333056211.db2.gz COCVRWDRTHAPPY-KRWDZBQOSA-N 0 1 295.361 3.811 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1C[C@@H](OC)c1ccc(Cl)cc1 ZINC000513970953 333056691 /nfs/dbraw/zinc/05/66/91/333056691.db2.gz APJGTKFNIBGEFW-APHBMKBZSA-N 0 1 297.826 3.527 20 0 CHADMN CC[C@@H](C)N(CCO)Cc1cc(Cl)ccc1Cl ZINC000310324309 333057472 /nfs/dbraw/zinc/05/74/72/333057472.db2.gz YJVHBDKSFCONLG-SNVBAGLBSA-N 0 1 276.207 3.586 20 0 CHADMN CCN(Cc1cnn(C)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000514005580 333059463 /nfs/dbraw/zinc/05/94/63/333059463.db2.gz MYRGYYHUDHHKCA-UHFFFAOYSA-N 0 1 285.435 3.740 20 0 CHADMN CN(CCSc1ccccc1F)CCC(F)(F)F ZINC000514010169 333059918 /nfs/dbraw/zinc/05/99/18/333059918.db2.gz UGRQLGMQCYEWHK-UHFFFAOYSA-N 0 1 281.318 3.802 20 0 CHADMN Fc1ccc(CCN2CCC(C(F)(F)F)CC2)cc1F ZINC000177958357 333066043 /nfs/dbraw/zinc/06/60/43/333066043.db2.gz NTBDABWGKCTVRM-UHFFFAOYSA-N 0 1 293.279 3.782 20 0 CHADMN C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@](C)(O)C1 ZINC000178008046 333066578 /nfs/dbraw/zinc/06/65/78/333066578.db2.gz QOWVVJJNLGPTEE-TVQRCGJNSA-N 0 1 274.191 3.511 20 0 CHADMN Cc1ccc(C)c([C@H](NCCF)c2ccccc2)c1 ZINC000311697418 333071270 /nfs/dbraw/zinc/07/12/70/333071270.db2.gz HAHBMLAPGGIKKS-QGZVFWFLSA-N 0 1 257.352 3.952 20 0 CHADMN CC[C@H](C)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000172693195 335119306 /nfs/dbraw/zinc/11/93/06/335119306.db2.gz LURBDBNCMGJCEZ-FZMZJTMJSA-N 0 1 253.773 3.512 20 0 CHADMN Cc1nc([C@@](C)(NCC2CCC(C)(C)CC2)C2CC2)no1 ZINC000516703996 333081013 /nfs/dbraw/zinc/08/10/13/333081013.db2.gz KUIATVDDSNYYJI-KRWDZBQOSA-N 0 1 291.439 3.809 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000516872833 333084899 /nfs/dbraw/zinc/08/48/99/333084899.db2.gz QSNJBRAPTKFPAV-JQWIXIFHSA-N 0 1 291.372 3.937 20 0 CHADMN Cc1cccnc1CNCc1ccc(CC(C)C)cc1 ZINC000088296668 333088047 /nfs/dbraw/zinc/08/80/47/333088047.db2.gz XBLLZIMAWSDFSY-UHFFFAOYSA-N 0 1 268.404 3.878 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1NCC1(O)CCC1 ZINC000517025661 333090208 /nfs/dbraw/zinc/09/02/08/333090208.db2.gz CBISXQMTUNPSOX-UHFFFAOYSA-N 0 1 288.435 3.702 20 0 CHADMN CC[N@H+]1CCCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000517124371 333093125 /nfs/dbraw/zinc/09/31/25/333093125.db2.gz FMAVAPYQQFPRPO-UHFFFAOYSA-N 0 1 287.234 3.521 20 0 CHADMN Cc1cc([C@@H](C)NCCCCc2ccc(F)c(F)c2)no1 ZINC000517543557 333101886 /nfs/dbraw/zinc/10/18/86/333101886.db2.gz HXLJJVOYGVUVTL-GFCCVEGCSA-N 0 1 294.345 3.935 20 0 CHADMN CSc1ccc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000517628988 333104294 /nfs/dbraw/zinc/10/42/94/333104294.db2.gz PDGJTPFHQPKYAH-HZPDHXFCSA-N 0 1 291.460 3.798 20 0 CHADMN CCCN(Cc1noc(-c2ccccc2)n1)CC(C)C ZINC000521192843 333114437 /nfs/dbraw/zinc/11/44/37/333114437.db2.gz QOJYNKYYFCZSGN-UHFFFAOYSA-N 0 1 273.380 3.605 20 0 CHADMN COc1ccc(F)cc1CNCc1cccc2cccnc21 ZINC000336863230 335121931 /nfs/dbraw/zinc/12/19/31/335121931.db2.gz AAYXSBNTXAGGRB-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN C[C@H](CCC1CC1)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000184063889 333124782 /nfs/dbraw/zinc/12/47/82/333124782.db2.gz QINPSNRIJNHUFY-ZIAGYGMSSA-N 0 1 299.418 3.890 20 0 CHADMN CC[C@H](N[C@@H](C)c1cncc(C)c1)c1c(C)noc1C ZINC000184422832 333128389 /nfs/dbraw/zinc/12/83/89/333128389.db2.gz QBDTVOVUYIPESO-NHYWBVRUSA-N 0 1 273.380 3.797 20 0 CHADMN C[C@@H]1CCCN1Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000184590897 333130299 /nfs/dbraw/zinc/13/02/99/333130299.db2.gz WTHATOJACRSGAE-GFCCVEGCSA-N 0 1 275.783 3.510 20 0 CHADMN OCC[C@H]1CCCCN1Cc1cccc(Cl)c1Cl ZINC000218341489 333131336 /nfs/dbraw/zinc/13/13/36/333131336.db2.gz UEXKHCXAMHMEKB-GFCCVEGCSA-N 0 1 288.218 3.730 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H](c1ccc(F)cc1)C(C)C ZINC000219086759 333141387 /nfs/dbraw/zinc/14/13/87/333141387.db2.gz SYVVBVFILMDEGS-BBRMVZONSA-N 0 1 287.382 3.972 20 0 CHADMN Oc1cc(F)cc(CN[C@@H]2CCc3c2cccc3Cl)c1 ZINC000185496685 333142165 /nfs/dbraw/zinc/14/21/65/333142165.db2.gz WDKZKFAXPGGIRC-MRXNPFEDSA-N 0 1 291.753 3.962 20 0 CHADMN Cc1nnc([C@H](C)N[C@H](C)CCc2ccccc2)s1 ZINC000337329545 335125591 /nfs/dbraw/zinc/12/55/91/335125591.db2.gz ZSOHXZBETLXDCG-NEPJUHHUSA-N 0 1 275.421 3.518 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(O)c2)cc1Cl ZINC000575867705 335126116 /nfs/dbraw/zinc/12/61/16/335126116.db2.gz QYIPVHDSMZOEEO-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN COc1ccc(F)cc1CN[C@H]1CCc2ccc(C)cc21 ZINC000187591673 333172738 /nfs/dbraw/zinc/17/27/38/333172738.db2.gz QGILXGDNFNMQFV-KRWDZBQOSA-N 0 1 285.362 3.920 20 0 CHADMN C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000521583817 333179150 /nfs/dbraw/zinc/17/91/50/333179150.db2.gz XMLBPRGPLXTADF-VXGBXAGGSA-N 0 1 271.364 3.718 20 0 CHADMN COc1ccc(CN[C@H](C)c2cccs2)c(F)c1 ZINC000222283236 333179596 /nfs/dbraw/zinc/17/95/96/333179596.db2.gz JNBVAUZABOECCP-SNVBAGLBSA-N 0 1 265.353 3.747 20 0 CHADMN COc1ccc(CN[C@H](C)c2sc(C)nc2C)c(F)c1 ZINC000222280143 333179606 /nfs/dbraw/zinc/17/96/06/333179606.db2.gz FKYILGOGKJGLTG-SECBINFHSA-N 0 1 294.395 3.758 20 0 CHADMN COc1ccc(F)cc1CNCc1cccc(C)c1C ZINC000189212297 333185358 /nfs/dbraw/zinc/18/53/58/333185358.db2.gz JBKOWBFOKWBZTC-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN CCN(CC(=O)Nc1ccccc1C)Cc1ccc(C)cc1 ZINC000521860636 333193999 /nfs/dbraw/zinc/19/39/99/333193999.db2.gz AUZCBJZPKOYSSH-UHFFFAOYSA-N 0 1 296.414 3.764 20 0 CHADMN Clc1ccccc1[C@@H]1CCC[C@H]1NCc1ncccn1 ZINC000521900385 333197063 /nfs/dbraw/zinc/19/70/63/333197063.db2.gz LPETXRVLUCKMPW-DZGCQCFKSA-N 0 1 287.794 3.556 20 0 CHADMN Cc1ccc2nc(SC[C@@H]3CC[C@@H](C)O3)[nH]c2c1 ZINC000190966990 333212825 /nfs/dbraw/zinc/21/28/25/333212825.db2.gz PJDIASRPWRCIOZ-MNOVXSKESA-N 0 1 262.378 3.531 20 0 CHADMN CCc1noc([C@H](C)N[C@H]2CCC[C@@H]2CCC(C)C)n1 ZINC000191349457 333218650 /nfs/dbraw/zinc/21/86/50/333218650.db2.gz WBLLRBLKYRITSK-MJBXVCDLSA-N 0 1 279.428 3.888 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1cccc(Cl)c1F ZINC000224329642 333219395 /nfs/dbraw/zinc/21/93/95/333219395.db2.gz VUXYBXYPCDSLPA-SSDOTTSWSA-N 0 1 269.669 3.910 20 0 CHADMN C[C@H](N[C@@H]1CCCC1(C)C)c1nc(C(C)(C)C)no1 ZINC000191571772 333221644 /nfs/dbraw/zinc/22/16/44/333221644.db2.gz URNQSMAJGXCCLI-WDEREUQCSA-N 0 1 265.401 3.596 20 0 CHADMN Cc1cccnc1CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000191658613 333223203 /nfs/dbraw/zinc/22/32/03/333223203.db2.gz COGXGSWIYSILFO-ZDUSSCGKSA-N 0 1 286.341 3.800 20 0 CHADMN CCCC[C@@H]1CCC[C@H]1NCc1nc(C(C)C)no1 ZINC000191827387 333226113 /nfs/dbraw/zinc/22/61/13/333226113.db2.gz FDJPQUAIBDDYQS-CHWSQXEVSA-N 0 1 265.401 3.642 20 0 CHADMN Cc1ccccc1Cc1noc(CN[C@H]2CCCC2(C)C)n1 ZINC000191859417 333226525 /nfs/dbraw/zinc/22/65/25/333226525.db2.gz KXRXEFWPNTVLLE-HNNXBMFYSA-N 0 1 299.418 3.637 20 0 CHADMN CC[C@H]1CCCCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000522008121 333229931 /nfs/dbraw/zinc/22/99/31/333229931.db2.gz MDHWZKZBNDOQFZ-HNNXBMFYSA-N 0 1 275.392 3.582 20 0 CHADMN Cc1ncc(CSc2nc3ccc(C)cc3[nH]2)s1 ZINC000194587064 333272862 /nfs/dbraw/zinc/27/28/62/333272862.db2.gz JMLZKYKKVUJQRX-UHFFFAOYSA-N 0 1 275.402 3.929 20 0 CHADMN COc1cccc([C@@H](C)NCc2cc(C)ccc2F)c1 ZINC000227284430 333279542 /nfs/dbraw/zinc/27/95/42/333279542.db2.gz PXJOXIOWBLKWHQ-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN COC(=O)c1ccc([C@H](C)N[C@@H](C)c2cccc(C)c2)o1 ZINC000227349533 333281232 /nfs/dbraw/zinc/28/12/32/333281232.db2.gz UTQXHLNMEYLPFE-STQMWFEESA-N 0 1 287.359 3.786 20 0 CHADMN Cc1c2ccccc2n(C)c1CN[C@@H](C)c1ccccn1 ZINC000227517689 333284339 /nfs/dbraw/zinc/28/43/39/333284339.db2.gz LVMZZNYNGWRKTH-AWEZNQCLSA-N 0 1 279.387 3.733 20 0 CHADMN FCC1(NCc2cc3cc(F)ccc3o2)CCC1 ZINC000575922217 335131454 /nfs/dbraw/zinc/13/14/54/335131454.db2.gz MCTZUIHNTPTUGY-UHFFFAOYSA-N 0 1 251.276 3.554 20 0 CHADMN OCc1cccc(CNCc2cc(Cl)ccc2Cl)c1 ZINC000229193009 333301571 /nfs/dbraw/zinc/30/15/71/333301571.db2.gz MNGZYYRGOXBAGG-UHFFFAOYSA-N 0 1 296.197 3.776 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@H](C)c2c(F)cccc2F)C1(C)C ZINC000250481361 333305590 /nfs/dbraw/zinc/30/55/90/333305590.db2.gz FWKWRALESGVYBP-DDTOSNHZSA-N 0 1 283.362 3.819 20 0 CHADMN CC(C)CCOc1ccc(CN[C@H](C)c2cn[nH]c2)cc1 ZINC000229884087 333310842 /nfs/dbraw/zinc/31/08/42/333310842.db2.gz YIIYTRFKULXQCO-CQSZACIVSA-N 0 1 287.407 3.685 20 0 CHADMN CC(C)=CC[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000523303647 333315690 /nfs/dbraw/zinc/31/56/90/333315690.db2.gz GWZMDNIIJLQSLV-KRWDZBQOSA-N 0 1 277.383 3.773 20 0 CHADMN CC(C)=CCN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000523303647 333315691 /nfs/dbraw/zinc/31/56/91/333315691.db2.gz GWZMDNIIJLQSLV-KRWDZBQOSA-N 0 1 277.383 3.773 20 0 CHADMN C[C@]1(O)CCCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000230379685 333316816 /nfs/dbraw/zinc/31/68/16/333316816.db2.gz VVWBSMQBCYFSGK-AWEZNQCLSA-N 0 1 288.218 3.730 20 0 CHADMN CC[C@@H](C)CN(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000523607510 333334110 /nfs/dbraw/zinc/33/41/10/333334110.db2.gz FMSNQRRMKFCRFX-LLVKDONJSA-N 0 1 293.798 3.868 20 0 CHADMN c1csc(C2(NCc3ccc4nc[nH]c4c3)CCCC2)n1 ZINC000523862932 333348542 /nfs/dbraw/zinc/34/85/42/333348542.db2.gz DMEBZVKTNUJONQ-UHFFFAOYSA-N 0 1 298.415 3.579 20 0 CHADMN CCc1ccccc1NC(=O)c1cc(C)cc2cn[nH]c21 ZINC000523948784 333350025 /nfs/dbraw/zinc/35/00/25/333350025.db2.gz VBDQBSNQWBKPDX-UHFFFAOYSA-N 0 1 279.343 3.686 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N2CCC(C)(C)CC2)c(C)c1 ZINC000524027808 333352182 /nfs/dbraw/zinc/35/21/82/333352182.db2.gz RHZNZRMTAZLZNF-OAHLLOKOSA-N 0 1 288.435 3.752 20 0 CHADMN COc1c(C)cnc(CN(C)Cc2cccc(C)c2)c1C ZINC000524177312 333355482 /nfs/dbraw/zinc/35/54/82/333355482.db2.gz XNEABAGJNIEXHN-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN CCCCOCCN1CCc2cccc(F)c2[C@H]1C ZINC000524252118 333357949 /nfs/dbraw/zinc/35/79/49/333357949.db2.gz BJPNCLMDUVKSAJ-CYBMUJFWSA-N 0 1 265.372 3.562 20 0 CHADMN Cc1ccc(CN2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000524592620 333367655 /nfs/dbraw/zinc/36/76/55/333367655.db2.gz QOKYHCIRVZCJNX-AWEZNQCLSA-N 0 1 287.325 3.538 20 0 CHADMN C[C@H]1OCC[C@]1(C)NCc1c(Cl)cccc1Cl ZINC000235650036 333371316 /nfs/dbraw/zinc/37/13/16/333371316.db2.gz YGHKVFLRDNRUAT-RNCFNFMXSA-N 0 1 274.191 3.651 20 0 CHADMN CC(C)(C)CCC[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000312157964 333373617 /nfs/dbraw/zinc/37/36/17/333373617.db2.gz JSOGBRXRQHXANO-UHFFFAOYSA-N 0 1 275.392 3.569 20 0 CHADMN c1c2ccccc2sc1CNCc1cn2ccccc2n1 ZINC000236575755 333373656 /nfs/dbraw/zinc/37/36/56/333373656.db2.gz XKCVZXUSOITGLK-UHFFFAOYSA-N 0 1 293.395 3.839 20 0 CHADMN C[C@H](NCC1CCC(C)CC1)c1nc(C(C)(C)C)no1 ZINC000236664472 333374551 /nfs/dbraw/zinc/37/45/51/333374551.db2.gz CQQDNNIKBRNWSJ-CPCZMJQVSA-N 0 1 279.428 3.844 20 0 CHADMN Cn1cncc1CNCc1cccc(Oc2ccccc2)c1 ZINC000237940013 333382191 /nfs/dbraw/zinc/38/21/91/333382191.db2.gz RRGVKYZSTRMFTP-UHFFFAOYSA-N 0 1 293.370 3.502 20 0 CHADMN CCCC[C@H](NCc1nnc2ccccn21)c1ccccc1 ZINC000315702615 333383258 /nfs/dbraw/zinc/38/32/58/333383258.db2.gz VTOXGZWEAQHSND-INIZCTEOSA-N 0 1 294.402 3.750 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N1CCC2(CCCCC2)CC1 ZINC000315898558 333384332 /nfs/dbraw/zinc/38/43/32/333384332.db2.gz LZGMVARLOSWTTD-UHFFFAOYSA-N 0 1 297.402 3.749 20 0 CHADMN CC1(C)CCN(Cc2cccnc2C(F)(F)F)CC1 ZINC000528368193 333416789 /nfs/dbraw/zinc/41/67/89/333416789.db2.gz LPAGGGHZYKDVGI-UHFFFAOYSA-N 0 1 272.314 3.722 20 0 CHADMN CCCN(CCC)CC(=O)c1cc(C)n(C2CC2)c1C ZINC000062655749 333421644 /nfs/dbraw/zinc/42/16/44/333421644.db2.gz QOQLBXUMRBRHFW-UHFFFAOYSA-N 0 1 276.424 3.745 20 0 CHADMN COc1ccc2cc([C@@H](C)NCc3cnc(C)o3)ccc2c1 ZINC000398017467 333431628 /nfs/dbraw/zinc/43/16/28/333431628.db2.gz RTOUWBCUZOERDB-GFCCVEGCSA-N 0 1 296.370 3.996 20 0 CHADMN C/C(Cl)=C/CN1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000528492500 333441529 /nfs/dbraw/zinc/44/15/29/333441529.db2.gz ZEZVCELYUBCCLI-UUASQNMZSA-N 0 1 293.838 3.507 20 0 CHADMN COCCC1CCN([C@H](C)c2nc3ccccc3o2)CC1 ZINC000528578362 333447025 /nfs/dbraw/zinc/44/70/25/333447025.db2.gz WJZDXAGKOQKCNZ-CYBMUJFWSA-N 0 1 288.391 3.637 20 0 CHADMN CC1(C)OCC[C@H]1NCc1c(Cl)cccc1Cl ZINC000328238095 333483697 /nfs/dbraw/zinc/48/36/97/333483697.db2.gz AHCDSTDHTYPPNQ-GFCCVEGCSA-N 0 1 274.191 3.651 20 0 CHADMN CCC1(c2ccccc2)CN(Cc2ccnc(C)c2)C1 ZINC000529605898 333500923 /nfs/dbraw/zinc/50/09/23/333500923.db2.gz RFXUTDZPQFAQGL-UHFFFAOYSA-N 0 1 266.388 3.554 20 0 CHADMN COCCNCc1c(Cl)cccc1Oc1ccccc1 ZINC000062739174 333554536 /nfs/dbraw/zinc/55/45/36/333554536.db2.gz PZUQMNOWKADLIP-UHFFFAOYSA-N 0 1 291.778 3.868 20 0 CHADMN C[C@@H](N[C@@H](C)C1CCCCC1)c1nc(C(C)(C)C)no1 ZINC000174142493 335148730 /nfs/dbraw/zinc/14/87/30/335148730.db2.gz OLYMYYCJWILBSJ-NWDGAFQWSA-N 0 1 279.428 3.987 20 0 CHADMN C[C@@H](N[C@H](CO)c1cccc(F)c1)c1ccc2c(c1)CCC2 ZINC000539085221 333656702 /nfs/dbraw/zinc/65/67/02/333656702.db2.gz VVGBKCDLKYCVOV-BFUOFWGJSA-N 0 1 299.389 3.699 20 0 CHADMN CCc1ccc(CN2CCN(c3cccs3)CC2)s1 ZINC000539852031 333698964 /nfs/dbraw/zinc/69/89/64/333698964.db2.gz KIVSEMGEYUYDSB-UHFFFAOYSA-N 0 1 292.473 3.694 20 0 CHADMN CCCc1nc(CN[C@@H](CCC)C2CCCCC2)no1 ZINC000540591868 333736242 /nfs/dbraw/zinc/73/62/42/333736242.db2.gz HBVNSASFMMFCFE-AWEZNQCLSA-N 0 1 279.428 3.861 20 0 CHADMN CCc1nnc(SCC[C@@H]2CCC[C@H](C)C2)[nH]1 ZINC000576124231 335158231 /nfs/dbraw/zinc/15/82/31/335158231.db2.gz CHDSUEWPJOPYHE-QWRGUYRKSA-N 0 1 253.415 3.676 20 0 CHADMN CCc1n[nH]c(SCC[C@@H]2CCC[C@H](C)C2)n1 ZINC000576124231 335158232 /nfs/dbraw/zinc/15/82/32/335158232.db2.gz CHDSUEWPJOPYHE-QWRGUYRKSA-N 0 1 253.415 3.676 20 0 CHADMN CC[C@H](N[C@H](c1ccccc1)C1CC1)c1ccn(C)n1 ZINC000542671881 333835747 /nfs/dbraw/zinc/83/57/47/333835747.db2.gz YLEQERSAPOSQNJ-DOTOQJQBSA-N 0 1 269.392 3.612 20 0 CHADMN CC[C@@H](N[C@H](c1ccc(OC)cc1)C1CC1)c1ccn(C)n1 ZINC000543591417 333882620 /nfs/dbraw/zinc/88/26/20/333882620.db2.gz IELXHAXVIIIGJG-AEFFLSMTSA-N 0 1 299.418 3.621 20 0 CHADMN CC[C@H](N[C@H](C)c1cc(C)cc(C)c1)c1ccn(C)n1 ZINC000543601683 333883498 /nfs/dbraw/zinc/88/34/98/333883498.db2.gz JDSHHJWHSZJNPB-ZBFHGGJFSA-N 0 1 271.408 3.839 20 0 CHADMN CCCCCc1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000545033891 333959445 /nfs/dbraw/zinc/95/94/45/333959445.db2.gz KYUYCWJMUNYQIM-UHFFFAOYSA-N 0 1 291.370 3.670 20 0 CHADMN CC(C)c1nc([C@H](C)NC2(C3CC3)CC2)cs1 ZINC000545985393 334010653 /nfs/dbraw/zinc/01/06/53/334010653.db2.gz KBCSAKONRJBPKO-JTQLQIEISA-N 0 1 250.411 3.860 20 0 CHADMN Cc1nc2ccc(NC(=O)CCc3cccc(C)c3)cc2[nH]1 ZINC000074819705 334014578 /nfs/dbraw/zinc/01/45/78/334014578.db2.gz WDSMDPCVAHJKBF-UHFFFAOYSA-N 0 1 293.370 3.751 20 0 CHADMN C(=C/[C@H]1CCCCCN1Cc1cnccn1)\c1cccs1 ZINC000564300296 334016781 /nfs/dbraw/zinc/01/67/81/334016781.db2.gz BMUUSJWSFLAHCZ-KXPUMZMLSA-N 0 1 299.443 3.996 20 0 CHADMN c1nc2ccc(CNc3c[nH]nc3-c3ccccc3)cc2[nH]1 ZINC000546256459 334022881 /nfs/dbraw/zinc/02/28/81/334022881.db2.gz HDWSMIUSSDIWMD-UHFFFAOYSA-N 0 1 289.342 3.565 20 0 CHADMN Cc1cc(-c2noc([C@H](C)C(F)(F)F)n2)cc2nc[nH]c21 ZINC000546432740 334032283 /nfs/dbraw/zinc/03/22/83/334032283.db2.gz DKXAYSJBTMJXDV-ZETCQYMHSA-N 0 1 296.252 3.587 20 0 CHADMN Cc1cc(-c2noc(C=CC3CCC3)n2)cc2nc[nH]c21 ZINC000546433393 334032459 /nfs/dbraw/zinc/03/24/59/334032459.db2.gz RNNDPRXOKLVGQE-WAYWQWQTSA-N 0 1 280.331 3.735 20 0 CHADMN CCCC1(c2nc(-c3ccc4[nH]cnc4c3)no2)CCC1 ZINC000546433487 334032514 /nfs/dbraw/zinc/03/25/14/334032514.db2.gz DIBBERXSTWTOQH-UHFFFAOYSA-N 0 1 282.347 3.835 20 0 CHADMN Cc1cc(-c2noc(CSC(C)C)n2)cc2nc[nH]c21 ZINC000546438472 334032767 /nfs/dbraw/zinc/03/27/67/334032767.db2.gz OQBSKWKXWGNZNR-UHFFFAOYSA-N 0 1 288.376 3.563 20 0 CHADMN FC(F)(F)C1CN(CCCCc2ccccc2)C1 ZINC000576226271 335173896 /nfs/dbraw/zinc/17/38/96/335173896.db2.gz MFYGBYAORKNYAP-UHFFFAOYSA-N 0 1 257.299 3.503 20 0 CHADMN CCc1ccc(CNCc2cn3cc(Cl)ccc3n2)cc1 ZINC000075761281 334050465 /nfs/dbraw/zinc/05/04/65/334050465.db2.gz CYCWPPOQPBUTQN-UHFFFAOYSA-N 0 1 299.805 3.840 20 0 CHADMN CN(Cc1ncc(-c2cccc(Cl)c2)o1)C1CCC1 ZINC000075840748 334054456 /nfs/dbraw/zinc/05/44/56/334054456.db2.gz GZECYYPPUIGVLV-UHFFFAOYSA-N 0 1 276.767 3.979 20 0 CHADMN CCN(CCC1CC1)CC(=O)Nc1ccc(C)cc1Cl ZINC000546931349 334055682 /nfs/dbraw/zinc/05/56/82/334055682.db2.gz POXKCHNJBAXHLI-UHFFFAOYSA-N 0 1 294.826 3.709 20 0 CHADMN Cc1cc(-c2noc(-c3ccc(F)cc3)n2)cc2nc[nH]c21 ZINC000547141758 334068768 /nfs/dbraw/zinc/06/87/68/334068768.db2.gz HMJYNXWSSPZFIZ-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN COCc1ccc(CN[C@]2(C)CCCc3ccccc32)o1 ZINC000547288741 334076309 /nfs/dbraw/zinc/07/63/09/334076309.db2.gz PBDRASPVVWAELQ-GOSISDBHSA-N 0 1 285.387 3.767 20 0 CHADMN CCC(=O)Nc1cccc(CN[C@H](C)c2cncc(C)c2)c1 ZINC000547352596 334082429 /nfs/dbraw/zinc/08/24/29/334082429.db2.gz GVRBBOONUOOTFN-CQSZACIVSA-N 0 1 297.402 3.589 20 0 CHADMN CCc1noc([C@@H](C)N2C[C@H](c3ccccc3)C(C)(C)C2)n1 ZINC000134257895 334085600 /nfs/dbraw/zinc/08/56/00/334085600.db2.gz BKSBLVKMVIBGGV-UKRRQHHQSA-N 0 1 299.418 3.819 20 0 CHADMN CCCc1noc(CN2C[C@H](c3ccccc3)C(C)(C)C2)n1 ZINC000134272710 334086344 /nfs/dbraw/zinc/08/63/44/334086344.db2.gz BUNSGIQFGVTOPC-OAHLLOKOSA-N 0 1 299.418 3.648 20 0 CHADMN C[C@@H](NC(C)(C)c1cnn(C)c1)c1ccccc1Cl ZINC000547413335 334086486 /nfs/dbraw/zinc/08/64/86/334086486.db2.gz LPHZGPJACPMBOY-LLVKDONJSA-N 0 1 277.799 3.659 20 0 CHADMN O=C(CN1CCCC2(CC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000547447333 334089283 /nfs/dbraw/zinc/08/92/83/334089283.db2.gz UDVLDNWACOCABR-UHFFFAOYSA-N 0 1 287.447 3.648 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1ccc([O-])c(Cl)c1 ZINC000077012431 334093472 /nfs/dbraw/zinc/09/34/72/334093472.db2.gz WPNBRHZWEIYGGP-UHFFFAOYSA-N 0 1 298.125 3.657 20 0 CHADMN CCCc1nc(CN2CCCC[C@@H](SC)C2)cs1 ZINC000134586288 334095930 /nfs/dbraw/zinc/09/59/30/334095930.db2.gz ICBZILXQGREYPD-CYBMUJFWSA-N 0 1 284.494 3.813 20 0 CHADMN CC(C)N(Cc1c(F)cccc1Cl)C1CCOCC1 ZINC000077322865 334102650 /nfs/dbraw/zinc/10/26/50/334102650.db2.gz OZOCVMWRRQQUOD-UHFFFAOYSA-N 0 1 285.790 3.869 20 0 CHADMN COc1ncc(CN2CCCCC[C@H]2C)cc1Cl ZINC000547623810 334103455 /nfs/dbraw/zinc/10/34/55/334103455.db2.gz NKTIVPDTDLUKNT-LLVKDONJSA-N 0 1 268.788 3.508 20 0 CHADMN CC[C@H]1CCCCCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000134805817 334104569 /nfs/dbraw/zinc/10/45/69/334104569.db2.gz BZKYQRJNUHRSBB-LBPRGKRZSA-N 0 1 281.783 3.840 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2ccc(F)cc2Br)C1 ZINC000134968822 334109819 /nfs/dbraw/zinc/10/98/19/334109819.db2.gz BFGHOBPHBWJMNH-NXEZZACHSA-N 0 1 286.188 3.819 20 0 CHADMN CC[C@H](NCc1occc1C)c1ccc(OC)cc1 ZINC000135130738 334117092 /nfs/dbraw/zinc/11/70/92/334117092.db2.gz CHAPYCOSTHQUAU-HNNXBMFYSA-N 0 1 259.349 3.838 20 0 CHADMN COc1ccc(CNCc2cccc3c2OC(C)(C)C3)cc1 ZINC000078005626 334120396 /nfs/dbraw/zinc/12/03/96/334120396.db2.gz FPUJWDSRBZEHDX-UHFFFAOYSA-N 0 1 297.398 3.699 20 0 CHADMN C[C@H](N[C@@H]1CCO[C@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000135294457 334124027 /nfs/dbraw/zinc/12/40/27/334124027.db2.gz PTIOUCAKUWGTQI-UVPNAGLESA-N 0 1 292.181 3.961 20 0 CHADMN CC1(C)CCC[C@@H]1[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000547971442 334132404 /nfs/dbraw/zinc/13/24/04/334132404.db2.gz QFNGOYDRFSUCRO-INIZCTEOSA-N 0 1 289.419 3.932 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)Cc2nc(-c3cccs3)no2)C1 ZINC000078529301 334135404 /nfs/dbraw/zinc/13/54/04/334135404.db2.gz LSIKMPAEKANARI-NWDGAFQWSA-N 0 1 291.420 3.809 20 0 CHADMN Cc1ccc(-c2cc(-c3nc(CC4CC4)no3)[nH]n2)cc1C ZINC000548030906 334135926 /nfs/dbraw/zinc/13/59/26/334135926.db2.gz BYUIQZSPEJBKAC-UHFFFAOYSA-N 0 1 294.358 3.696 20 0 CHADMN CCCCOc1ccc(NCc2ccc3nc[nH]c3c2)cn1 ZINC000548138563 334141798 /nfs/dbraw/zinc/14/17/98/334141798.db2.gz IELSYZZCTLJMTN-UHFFFAOYSA-N 0 1 296.374 3.749 20 0 CHADMN O=C(Nc1cccc2cc[nH]c21)c1ccc(O)c(Cl)c1 ZINC000548148359 334142967 /nfs/dbraw/zinc/14/29/67/334142967.db2.gz HUKWCAAZEIPTSR-UHFFFAOYSA-N 0 1 286.718 3.779 20 0 CHADMN Cc1ccc([C@H]2CCN(Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000548158669 334143770 /nfs/dbraw/zinc/14/37/70/334143770.db2.gz CXAGOGBDMDLVIR-INIZCTEOSA-N 0 1 291.398 3.861 20 0 CHADMN C[C@@H]1CCCCCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000548254430 334147404 /nfs/dbraw/zinc/14/74/04/334147404.db2.gz WCLCEZZOPHLKCM-CYBMUJFWSA-N 0 1 289.423 3.862 20 0 CHADMN CCc1cnc(CN(CC)[C@@H](C)Cc2ccsc2)o1 ZINC000548301308 334149708 /nfs/dbraw/zinc/14/97/08/334149708.db2.gz KQQRWQSRAAAQJE-LBPRGKRZSA-N 0 1 278.421 3.752 20 0 CHADMN CCc1cnc(CN2CC[C@H](c3ccc(C)cc3C)C2)o1 ZINC000548427892 334155954 /nfs/dbraw/zinc/15/59/54/334155954.db2.gz IMMQHCVTNMANML-HNNXBMFYSA-N 0 1 284.403 3.843 20 0 CHADMN COc1ccc(F)cc1CNCc1ccc(C)c(F)c1 ZINC000548622755 334164129 /nfs/dbraw/zinc/16/41/29/334164129.db2.gz OFVIOEBROWRGTR-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN Cc1c(Br)cccc1CN1[C@H](C)C[C@@H]1C ZINC000548753103 334169645 /nfs/dbraw/zinc/16/96/45/334169645.db2.gz JBTYKUFODYOKSJ-AOOOYVTPSA-N 0 1 268.198 3.740 20 0 CHADMN Cc1c(Br)cccc1CN1[C@@H](C)C[C@@H]1C ZINC000548753105 334169801 /nfs/dbraw/zinc/16/98/01/334169801.db2.gz JBTYKUFODYOKSJ-UWVGGRQHSA-N 0 1 268.198 3.740 20 0 CHADMN CC(C)C[C@@H]1CCN(Cc2nc(Cc3ccccc3)no2)C1 ZINC000080643278 334172892 /nfs/dbraw/zinc/17/28/92/334172892.db2.gz YKMFPSFIJXCZDN-INIZCTEOSA-N 0 1 299.418 3.528 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H]1C1CCC1)c1noc(-c2ccccc2)n1 ZINC000548883611 334178767 /nfs/dbraw/zinc/17/87/67/334178767.db2.gz MLUFNROYGONWQA-MAZHCROVSA-N 0 1 297.402 3.966 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000081179686 334180398 /nfs/dbraw/zinc/18/03/98/334180398.db2.gz GYIOBUQPGOEVMU-SWLSCSKDSA-N 0 1 277.412 3.574 20 0 CHADMN FC(F)O[C@H]1CCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000549077962 334184852 /nfs/dbraw/zinc/18/48/52/334184852.db2.gz VIBTXESXMXPERF-TVQRCGJNSA-N 0 1 287.737 3.641 20 0 CHADMN O[C@@H]1CCCC[C@H]1N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000549187790 334187406 /nfs/dbraw/zinc/18/74/06/334187406.db2.gz VEFPOVPEKIFBNJ-OAGGEKHMSA-N 0 1 297.801 3.514 20 0 CHADMN CC(C)CCCN[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000549245502 334188736 /nfs/dbraw/zinc/18/87/36/334188736.db2.gz GGHBNCQLCNJORN-GFCCVEGCSA-N 0 1 291.370 3.963 20 0 CHADMN CC(C)(C)c1n[nH]c(SC[C@@H]2CCC(F)(F)C2)n1 ZINC000549619189 334199722 /nfs/dbraw/zinc/19/97/22/334199722.db2.gz YCDHELDTPIHEKR-MRVPVSSYSA-N 0 1 275.368 3.630 20 0 CHADMN CC(C)(C)c1nc(SC[C@@H]2CCC(F)(F)C2)n[nH]1 ZINC000549619189 334199723 /nfs/dbraw/zinc/19/97/23/334199723.db2.gz YCDHELDTPIHEKR-MRVPVSSYSA-N 0 1 275.368 3.630 20 0 CHADMN CCCCN1CCC[C@@H]1c1ccc(Br)cn1 ZINC000549688851 334201927 /nfs/dbraw/zinc/20/19/27/334201927.db2.gz VWEAVSJZEQFELD-CYBMUJFWSA-N 0 1 283.213 3.781 20 0 CHADMN C[C@H](c1c(F)cccc1F)N(C)C[C@H]1CCCC[C@@H]1O ZINC000245542225 334202111 /nfs/dbraw/zinc/20/21/11/334202111.db2.gz JWASZACHFBZJTD-JMSVASOKSA-N 0 1 283.362 3.509 20 0 CHADMN Cc1cc(Br)ccc1CN1C[C@@H](C)[C@H]1C ZINC000549924304 334209126 /nfs/dbraw/zinc/20/91/26/334209126.db2.gz VZOPLDLQZWLCFN-GHMZBOCLSA-N 0 1 268.198 3.598 20 0 CHADMN CCCCN(Cc1ncnn1CCC)C1CCCCC1 ZINC000550158909 334214707 /nfs/dbraw/zinc/21/47/07/334214707.db2.gz JLCADYCJBBTFKH-UHFFFAOYSA-N 0 1 278.444 3.623 20 0 CHADMN c1ccc(-c2noc(CNCCC3CCCCC3)n2)cc1 ZINC000550195269 334215681 /nfs/dbraw/zinc/21/56/81/334215681.db2.gz QDHLOOICPIIQSA-UHFFFAOYSA-N 0 1 285.391 3.797 20 0 CHADMN COc1cccc(CN2C[C@@H](C)[C@@H]2c2ccccc2)c1OC ZINC000245747591 334217032 /nfs/dbraw/zinc/21/70/32/334217032.db2.gz NDXHKWDPGUSXFO-RDTXWAMCSA-N 0 1 297.398 3.897 20 0 CHADMN CC(C)C1(N[C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000550274492 334218565 /nfs/dbraw/zinc/21/85/65/334218565.db2.gz DAMMJUPTRWRQDK-LLVKDONJSA-N 0 1 250.386 3.811 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)N1CCO[C@H](C)C1 ZINC000550315803 334220137 /nfs/dbraw/zinc/22/01/37/334220137.db2.gz FKYLAKNVWWLAFN-ZIAGYGMSSA-N 0 1 255.361 3.622 20 0 CHADMN CCCC[C@H](C)N(CCCC)Cc1nnc2n1CCCC2 ZINC000550372201 334221108 /nfs/dbraw/zinc/22/11/08/334221108.db2.gz ONCDHSSGKZEZBX-HNNXBMFYSA-N 0 1 292.471 3.795 20 0 CHADMN COc1ccc([C@@H](C)CN2CCn3cccc3[C@@H]2C)cc1 ZINC000245883583 334222822 /nfs/dbraw/zinc/22/28/22/334222822.db2.gz NZSBVQMNFCCDIJ-GJZGRUSLSA-N 0 1 284.403 3.677 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1CC[C@@H](C)[C@H](C)C1 ZINC000245900203 334223282 /nfs/dbraw/zinc/22/32/82/334223282.db2.gz LBMHROULHMFJQL-UTUOFQBUSA-N 0 1 291.420 3.837 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cn3ccccc3n2)cc1 ZINC000550885583 334231784 /nfs/dbraw/zinc/23/17/84/334231784.db2.gz HEUJCNNPZYKTEN-ZIAGYGMSSA-N 0 1 295.386 3.755 20 0 CHADMN Cc1ccc(CNCc2cn3cc(C)ccc3n2)c(C)c1 ZINC000551206868 334240766 /nfs/dbraw/zinc/24/07/66/334240766.db2.gz LDKUMWAJOHXNPQ-UHFFFAOYSA-N 0 1 279.387 3.549 20 0 CHADMN Cc1cccnc1[C@@H]1CCC[C@H](NCC(C)(F)F)C1 ZINC000551251842 334242754 /nfs/dbraw/zinc/24/27/54/334242754.db2.gz FHGNNICJCGROMB-OLZOCXBDSA-N 0 1 268.351 3.661 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@@H](C)C1)c1nc(C(C)(C)C)no1 ZINC000246278707 334248191 /nfs/dbraw/zinc/24/81/91/334248191.db2.gz NJLQVLXCIUPCLU-IJLUTSLNSA-N 0 1 265.401 3.596 20 0 CHADMN C[C@@H]1CN([C@@H]2C=CCCC2)C[C@H](c2ccccc2)O1 ZINC000246306095 334250001 /nfs/dbraw/zinc/25/00/01/334250001.db2.gz XNIPEUWRZPCFQA-DJIMGWMZSA-N 0 1 257.377 3.557 20 0 CHADMN CCCCc1noc(CN2CC[C@@H](c3ccccc3)[C@H]2C)n1 ZINC000246400035 334256186 /nfs/dbraw/zinc/25/61/86/334256186.db2.gz JJSGJFSGSNMFRE-GDBMZVCRSA-N 0 1 299.418 3.790 20 0 CHADMN Cc1nc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)cs1 ZINC000246530033 334263501 /nfs/dbraw/zinc/26/35/01/334263501.db2.gz RWOWBBYFEZSYDM-MLGOLLRUSA-N 0 1 272.417 3.830 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CC[C@@H](C)C[C@H](C)C2)n1 ZINC000246599309 334265032 /nfs/dbraw/zinc/26/50/32/334265032.db2.gz HBWHFVXKXDNCJD-FRRDWIJNSA-N 0 1 265.401 3.622 20 0 CHADMN CO[C@H](C)c1nc(CN2CC[C@H](C)C[C@H](C)C2)cs1 ZINC000246704679 334267580 /nfs/dbraw/zinc/26/75/80/334267580.db2.gz NCQNDTABDRESKG-RWMBFGLXSA-N 0 1 282.453 3.719 20 0 CHADMN CC1=CC[C@H](N[C@@H](c2nccn2C)c2ccccc2)CC1 ZINC000551983367 334269065 /nfs/dbraw/zinc/26/90/65/334269065.db2.gz IDAJKSJZQFRDSL-DLBZAZTESA-N 0 1 281.403 3.598 20 0 CHADMN CC[C@H](c1ccccc1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000247219822 334277786 /nfs/dbraw/zinc/27/77/86/334277786.db2.gz WHZIOMSWQOMNGV-RTBURBONSA-N 0 1 297.398 3.917 20 0 CHADMN Cc1cccc(-c2noc(CN3CCC[C@H]4CCC[C@H]43)n2)c1 ZINC000247512757 334283381 /nfs/dbraw/zinc/28/33/81/334283381.db2.gz MQDAAPADWRUDJO-GDBMZVCRSA-N 0 1 297.402 3.810 20 0 CHADMN CC(C)[C@@H]1CC[C@@H]1NCc1ncc(-c2ccccc2)cn1 ZINC000552065752 334284452 /nfs/dbraw/zinc/28/44/52/334284452.db2.gz MOPJCYUADCTLAS-IRXDYDNUSA-N 0 1 281.403 3.668 20 0 CHADMN c1csc(-c2noc(CN3CCC[C@H]4CCC[C@H]43)n2)c1 ZINC000247531903 334284465 /nfs/dbraw/zinc/28/44/65/334284465.db2.gz OHHUPUYFCWBEHC-VXGBXAGGSA-N 0 1 289.404 3.563 20 0 CHADMN CC(C)c1noc([C@H](C)N[C@@H]2CCC[C@@H](C)[C@@H]2C)n1 ZINC000248151361 334295971 /nfs/dbraw/zinc/29/59/71/334295971.db2.gz BLWBEPJMRPORNJ-MROQNXINSA-N 0 1 265.401 3.668 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@@H](c3cc(C)cc(C)c3)C2)n1 ZINC000248452175 334302508 /nfs/dbraw/zinc/30/25/08/334302508.db2.gz JJWIEOIITQDGAY-LSDHHAIUSA-N 0 1 299.418 3.799 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)CCO[C@H]1CCCCO1 ZINC000248506088 334304542 /nfs/dbraw/zinc/30/45/42/334304542.db2.gz WOYFFKXXJADKLX-CJNGLKHVSA-N 0 1 297.826 3.876 20 0 CHADMN C[C@@H]1CCC[C@H](NCc2nc(C3CCCC3)no2)[C@H]1C ZINC000248542398 334305530 /nfs/dbraw/zinc/30/55/30/334305530.db2.gz CMHIQDWWPPQFLZ-DYEKYZERSA-N 0 1 277.412 3.642 20 0 CHADMN CC(C)[C@@H]1CC[C@H]1N[C@H](c1nccn1C)c1ccccc1 ZINC000552238940 334307019 /nfs/dbraw/zinc/30/70/19/334307019.db2.gz UELQLVXAIGHMAV-BBWFWOEESA-N 0 1 283.419 3.534 20 0 CHADMN C[C@H]1CCN(Cc2nnc(-c3ccccc3)s2)C[C@H]1C ZINC000248614772 334309035 /nfs/dbraw/zinc/30/90/35/334309035.db2.gz IBXDAHJRDOXPBA-QWHCGFSZSA-N 0 1 287.432 3.683 20 0 CHADMN C[C@H]1CCN(Cc2cc(Cl)cs2)C[C@H]1n1ccnc1 ZINC000248728279 334314962 /nfs/dbraw/zinc/31/49/62/334314962.db2.gz JXHDJFZWSQAQSJ-SMDDNHRTSA-N 0 1 295.839 3.681 20 0 CHADMN COC[C@@H]1CCN1C/C(C)=C/c1ccccc1C(F)(F)F ZINC000552315399 334315864 /nfs/dbraw/zinc/31/58/64/334315864.db2.gz QNWGSXKQKWJZGS-TZIYXEQSSA-N 0 1 299.336 3.829 20 0 CHADMN Cc1ccccc1N1CCN(C/C=C/c2ccccc2)CC1 ZINC000142308599 334323780 /nfs/dbraw/zinc/32/37/80/334323780.db2.gz LEQOBQVLJZIDNB-YRNVUSSQSA-N 0 1 292.426 3.830 20 0 CHADMN CC1(C)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000087660734 334328819 /nfs/dbraw/zinc/32/88/19/334328819.db2.gz NDOYSRALVLIQOH-UHFFFAOYSA-N 0 1 279.355 3.536 20 0 CHADMN NC1(c2noc([C@@H]3CC[C@H]4CCCC[C@H]4C3)n2)CCCC1 ZINC000250940812 334353656 /nfs/dbraw/zinc/35/36/56/334353656.db2.gz ZHYPAUJWAHTCGG-HZSPNIEDSA-N 0 1 289.423 3.872 20 0 CHADMN C[C@H](C[N@@H+](C)[C@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000251100904 334356565 /nfs/dbraw/zinc/35/65/65/334356565.db2.gz MWLXTSANWTWRIB-CHWSQXEVSA-N 0 1 271.360 3.553 20 0 CHADMN C[C@@H]1CCC[C@H](NC(=O)c2ccc(O)c(Cl)c2)[C@H]1C ZINC000251567894 334364467 /nfs/dbraw/zinc/36/44/67/334364467.db2.gz BOHHFURJDBQFQE-NRUUGDAUSA-N 0 1 281.783 3.600 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3ccc(C)c(C)c3)ccc12 ZINC000091836552 334384376 /nfs/dbraw/zinc/38/43/76/334384376.db2.gz NUYQDMHYBHDNGL-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN Cc1ccc2nc(NC(=O)c3ccc(F)cc3C)[nH]c2c1 ZINC000553474468 334387195 /nfs/dbraw/zinc/38/71/95/334387195.db2.gz OJSDLFXCUKKGJI-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN CC(C)c1nc(CN[C@](C)(CO)C2CCCCC2)cs1 ZINC000152776391 334514339 /nfs/dbraw/zinc/51/43/39/334514339.db2.gz JXCBWSMLOHWXGS-MRXNPFEDSA-N 0 1 296.480 3.687 20 0 CHADMN Cc1ccc(CCCCc2nc(C3(N)CCCC3)no2)cc1 ZINC000564727456 334518156 /nfs/dbraw/zinc/51/81/56/334518156.db2.gz DDIOPRYVIKKJLW-UHFFFAOYSA-N 0 1 299.418 3.671 20 0 CHADMN C[C@]1(CNCc2csc(-c3ccsc3)n2)CCCO1 ZINC000152913253 334523951 /nfs/dbraw/zinc/52/39/51/334523951.db2.gz LMBOULUZJHKODB-CQSZACIVSA-N 0 1 294.445 3.530 20 0 CHADMN Cc1ccc(CN[C@H]2c3ccccc3O[C@@H]2C)cc1C ZINC000565268866 334549111 /nfs/dbraw/zinc/54/91/11/334549111.db2.gz QKDQLZSPHIOVBX-RDTXWAMCSA-N 0 1 267.372 3.915 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)N[C@@H](C)c1cncnc1C ZINC000566806116 334665150 /nfs/dbraw/zinc/66/51/50/334665150.db2.gz OUSKELOCRURBIZ-KGLIPLIRSA-N 0 1 285.391 3.514 20 0 CHADMN CCc1nnc([C@@H](C)N[C@@H]2CCC[C@H]2c2ccccc2)o1 ZINC000566812623 334665548 /nfs/dbraw/zinc/66/55/48/334665548.db2.gz JQONQGZWOCILMU-VHDGCEQUSA-N 0 1 285.391 3.619 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1coc(-c2c(F)cccc2F)n1 ZINC000155515856 334722933 /nfs/dbraw/zinc/72/29/33/334722933.db2.gz BMSKTTJVSMRUII-QWRGUYRKSA-N 0 1 292.329 3.993 20 0 CHADMN CC1(c2nc(-c3ccn4cncc4c3)no2)CCCCC1 ZINC000569290357 334865506 /nfs/dbraw/zinc/86/55/06/334865506.db2.gz OVYYBEIPADVLTO-UHFFFAOYSA-N 0 1 282.347 3.606 20 0 CHADMN C[C@H](NCc1csc(Br)c1)c1ccoc1 ZINC000166601298 334914991 /nfs/dbraw/zinc/91/49/91/334914991.db2.gz BNGNSIXZGZNZQK-QMMMGPOBSA-N 0 1 286.194 3.954 20 0 CHADMN CC(C)O[C@@H]1CCN(CCc2c(F)cccc2Cl)C1 ZINC000576580776 335221502 /nfs/dbraw/zinc/22/15/02/335221502.db2.gz DJWGMGYKMFAVQF-GFCCVEGCSA-N 0 1 285.790 3.521 20 0 CHADMN CCC[N@H+](Cc1c(Cl)cccc1C(=O)[O-])CC1CC1 ZINC000576590237 335223460 /nfs/dbraw/zinc/22/34/60/335223460.db2.gz VTSSBWIRWUCUFO-UHFFFAOYSA-N 0 1 281.783 3.660 20 0 CHADMN C[C@H]1CCC[C@H](CC[N@@H+](CC(=O)[O-])Cc2ccccc2)C1 ZINC000576710774 335238509 /nfs/dbraw/zinc/23/85/09/335238509.db2.gz TZWXEGZOWJZSAN-JKSUJKDBSA-N 0 1 289.419 3.790 20 0 CHADMN CCCN(CC(=O)c1cc(C)[nH]c1C)Cc1ccccc1 ZINC000344437003 335249431 /nfs/dbraw/zinc/24/94/31/335249431.db2.gz HUBRSQQJRRLLTL-UHFFFAOYSA-N 0 1 284.403 3.726 20 0 CHADMN Cc1nc(CN[C@@H]2CC(C)(C)c3ccccc32)[nH]c1C ZINC000576838294 335254503 /nfs/dbraw/zinc/25/45/03/335254503.db2.gz OQXIHIHQBXZTLK-OAHLLOKOSA-N 0 1 269.392 3.539 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](Cc2ccco2)C2CCCC2)o1 ZINC000576949815 335268431 /nfs/dbraw/zinc/26/84/31/335268431.db2.gz SQJZOFCZOLUKGO-UHFFFAOYSA-N 0 1 289.331 3.516 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000576998929 335276030 /nfs/dbraw/zinc/27/60/30/335276030.db2.gz QLFPPCZHBKXOMV-QGZVFWFLSA-N 0 1 289.375 3.609 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2occc2C(=O)[O-])CC12CCCCC2 ZINC000580574620 335287948 /nfs/dbraw/zinc/28/79/48/335287948.db2.gz DNFRCHRJLKVLDS-ZDUSSCGKSA-N 0 1 291.391 3.770 20 0 CHADMN CC(C)=CCC[C@@H](C)CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000577377040 335344815 /nfs/dbraw/zinc/34/48/15/335344815.db2.gz SXLKNNZJQWTTAY-UKRRQHHQSA-N 0 1 289.423 3.676 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000577380610 335345310 /nfs/dbraw/zinc/34/53/10/335345310.db2.gz FFKVTDDTOIAFLI-GFCCVEGCSA-N 0 1 267.394 3.601 20 0 CHADMN C[C@@]1(Cc2ccccc2)CCC[N@H+]1CCCCCC(=O)[O-] ZINC000577642780 335384849 /nfs/dbraw/zinc/38/48/49/335384849.db2.gz UXIGBPWXPGHACN-SFHVURJKSA-N 0 1 289.419 3.729 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)c1ccoc1 ZINC000178186447 335421485 /nfs/dbraw/zinc/42/14/85/335421485.db2.gz DNORIXKVLDRQFF-KBPBESRZSA-N 0 1 281.359 3.877 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccoc1)c1ccc2c(c1)OCCO2 ZINC000178481069 335433979 /nfs/dbraw/zinc/43/39/79/335433979.db2.gz CEYMHKXCEYRHAR-WFASDCNBSA-N 0 1 287.359 3.853 20 0 CHADMN C[C@H](N[C@@H]1CCC(C)(C)c2ccccc21)c1nccn1C ZINC000183195108 335878126 /nfs/dbraw/zinc/87/81/26/335878126.db2.gz RIXLGDXJSVMSMZ-XJKSGUPXSA-N 0 1 283.419 3.883 20 0 CHADMN CCCC[C@@H](C)N(C)CC(=O)c1c[nH]c2ccccc12 ZINC000380688740 336017502 /nfs/dbraw/zinc/01/75/02/336017502.db2.gz LMCBIFVZVAJGHL-CYBMUJFWSA-N 0 1 272.392 3.861 20 0 CHADMN C[C@H](N[C@@H]1CCC1(C)C)c1nc(-c2ccccc2)no1 ZINC000581182729 336020574 /nfs/dbraw/zinc/02/05/74/336020574.db2.gz NTRZGLVFEAJRQN-WCQYABFASA-N 0 1 271.364 3.576 20 0 CHADMN Clc1cccc(CN2CC[C@@H]3OCC[C@@H]3C2)c1Cl ZINC000581189166 336021569 /nfs/dbraw/zinc/02/15/69/336021569.db2.gz YYLHSOWPGGSKRL-MFKMUULPSA-N 0 1 286.202 3.604 20 0 CHADMN CCCc1ccc(CSc2nc(C3CC3)n[nH]2)cc1 ZINC000194777015 336038682 /nfs/dbraw/zinc/03/86/82/336038682.db2.gz WPIZHWSJXBCTLH-UHFFFAOYSA-N 0 1 273.405 3.927 20 0 CHADMN CCCc1ccc(CSc2n[nH]c(C3CC3)n2)cc1 ZINC000194777015 336038684 /nfs/dbraw/zinc/03/86/84/336038684.db2.gz WPIZHWSJXBCTLH-UHFFFAOYSA-N 0 1 273.405 3.927 20 0 CHADMN COc1cccc2c1CCC[C@@H]2NCc1cccc(C)n1 ZINC000194859448 336039539 /nfs/dbraw/zinc/03/95/39/336039539.db2.gz XFCMRYMOEUFPAJ-KRWDZBQOSA-N 0 1 282.387 3.566 20 0 CHADMN CCN(CC)C(=O)CN(C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000195732489 336059032 /nfs/dbraw/zinc/05/90/32/336059032.db2.gz XSLLLKLXQPCSKC-HNNXBMFYSA-N 0 1 290.451 3.671 20 0 CHADMN Cc1oc(C[N@@H+](C)CCC2=CCCCC2)cc1C(=O)[O-] ZINC000581374812 336064179 /nfs/dbraw/zinc/06/41/79/336064179.db2.gz COISROOTEYZDDQ-UHFFFAOYSA-N 0 1 277.364 3.609 20 0 CHADMN COC(=O)c1cccc(CN2CCCC(C)(C)C2)c1Cl ZINC000381606848 336069342 /nfs/dbraw/zinc/06/93/42/336069342.db2.gz HPEYFBRGKDPTSP-UHFFFAOYSA-N 0 1 295.810 3.749 20 0 CHADMN Cc1oc(C[N@@H+](C2CC2)C2CCC(C)CC2)cc1C(=O)[O-] ZINC000581434955 336077021 /nfs/dbraw/zinc/07/70/21/336077021.db2.gz UOBHHFJYFDWSQC-UHFFFAOYSA-N 0 1 291.391 3.829 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2CC2CCCCC2)o1 ZINC000581553590 336101829 /nfs/dbraw/zinc/10/18/29/336101829.db2.gz XBHLBQPELSCTOO-AWEZNQCLSA-N 0 1 291.391 3.913 20 0 CHADMN C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000383051489 336103669 /nfs/dbraw/zinc/10/36/69/336103669.db2.gz KUFOWTYTLRLDEO-JQWIXIFHSA-N 0 1 253.773 3.714 20 0 CHADMN CCC[N@@H+](CCCCCC(=O)[O-])Cc1ccccc1 ZINC000383812212 336118152 /nfs/dbraw/zinc/11/81/52/336118152.db2.gz PVSJSVHHMLZTIB-UHFFFAOYSA-N 0 1 263.381 3.544 20 0 CHADMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000581731915 336139544 /nfs/dbraw/zinc/13/95/44/336139544.db2.gz VSNYTYMDGXWSTD-YPMHNXCESA-N 0 1 281.421 3.847 20 0 CHADMN C[C@H](NCc1cccc(O)c1Cl)c1ccccc1 ZINC000385594052 336152214 /nfs/dbraw/zinc/15/22/14/336152214.db2.gz JITHKOXNQRWTNE-NSHDSACASA-N 0 1 261.752 3.896 20 0 CHADMN CC[C@@H](C)[N@@H+](CCCCCC(=O)[O-])Cc1ccccc1 ZINC000387297238 336191265 /nfs/dbraw/zinc/19/12/65/336191265.db2.gz XXRBUHXRHZAURW-OAHLLOKOSA-N 0 1 277.408 3.932 20 0 CHADMN COc1cccc([C@H](C)N(C)Cc2cccc(C)n2)c1 ZINC000347383415 533768097 /nfs/dbraw/zinc/76/80/97/533768097.db2.gz KZUZCNUGJXNGKM-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN C[C@@H]1CCC[C@H](c2nc(-c3ccn4cncc4c3)no2)C1 ZINC000333344729 533880137 /nfs/dbraw/zinc/88/01/37/533880137.db2.gz UIUWLTQQNJQQSV-YPMHNXCESA-N 0 1 282.347 3.678 20 0 CHADMN COc1ccc(F)cc1CN1CCC=C(c2ccco2)C1 ZINC000352550156 533930578 /nfs/dbraw/zinc/93/05/78/533930578.db2.gz KPOQPJMBRVNWMY-UHFFFAOYSA-N 0 1 287.334 3.717 20 0 CHADMN Cc1ccc(CNCc2ccc3sccc3c2)nc1 ZINC000352473375 534069577 /nfs/dbraw/zinc/06/95/77/534069577.db2.gz TXBSOTZBHSHVBI-UHFFFAOYSA-N 0 1 268.385 3.895 20 0 CHADMN CS[C@H]1CCCCN(c2ccnc(C)c2Cl)C1 ZINC000355092385 534089047 /nfs/dbraw/zinc/08/90/47/534089047.db2.gz JVKYYVDEOWHVTN-NSHDSACASA-N 0 1 270.829 3.765 20 0 CHADMN C[C@]1(c2ccccc2)CCCN(Cc2ccon2)CC1 ZINC000352228903 534186154 /nfs/dbraw/zinc/18/61/54/534186154.db2.gz BIYFIDFHBYFZOQ-KRWDZBQOSA-N 0 1 270.376 3.618 20 0 CHADMN CSc1ccc(C(=O)Nc2nc3ccc(C)cc3[nH]2)cc1 ZINC000344484755 534188694 /nfs/dbraw/zinc/18/86/94/534188694.db2.gz XAFOOLJFEWLHQN-UHFFFAOYSA-N 0 1 297.383 3.846 20 0 CHADMN CSc1ccc(C)c(NC(=O)c2cccc3nc[nH]c32)c1 ZINC000343340117 534195223 /nfs/dbraw/zinc/19/52/23/534195223.db2.gz OQGCUEBCTQRVRX-UHFFFAOYSA-N 0 1 297.383 3.846 20 0 CHADMN C[C@@H]1CC[C@@]2(CCN(Cc3ncc(C4CC4)o3)C2)C1 ZINC000334889724 534204560 /nfs/dbraw/zinc/20/45/60/534204560.db2.gz BXARAPNGJDSMSZ-MLGOLLRUSA-N 0 1 260.381 3.564 20 0 CHADMN CSc1ccc(CN2CCS[C@@H](C)[C@@H]2C)s1 ZINC000356122348 534206925 /nfs/dbraw/zinc/20/69/25/534206925.db2.gz GRHWOUSSSMYACO-UWVGGRQHSA-N 0 1 273.492 3.796 20 0 CHADMN C[C@@H](Cc1ccoc1)NCc1coc(-c2ccccc2)n1 ZINC000344903023 534260065 /nfs/dbraw/zinc/26/00/65/534260065.db2.gz UJEOUABHVZJANG-ZDUSSCGKSA-N 0 1 282.343 3.655 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C(C)(C)C(C)(C)C)c1 ZINC000436937462 517370727 /nfs/dbraw/zinc/37/07/27/517370727.db2.gz YMUNPVKVGJLJSP-UHFFFAOYSA-N 0 1 277.364 3.606 20 0 CHADMN C/C(=C\c1nc([C@@H](N)CC(C)C)no1)c1ccccc1 ZINC000339388102 518448205 /nfs/dbraw/zinc/44/82/05/518448205.db2.gz SURWSYVFFPRXLL-WONIAPNHSA-N 0 1 271.364 3.676 20 0 CHADMN CC(C)C[C@@H](N)c1noc(/C=C\C2CCCCC2)n1 ZINC000339395097 519230327 /nfs/dbraw/zinc/23/03/27/519230327.db2.gz SIEJSSSSKNEVRC-LJTDUEICSA-N 0 1 263.385 3.709 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@]2(C)CCCc3ccccc32)n1 ZINC000339363241 519234584 /nfs/dbraw/zinc/23/45/84/519234584.db2.gz RDWQPGOXTWTRIB-QAPCUYQASA-N 0 1 299.418 3.758 20 0 CHADMN CC(C)C[C@@H]1CCCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000119297925 519263574 /nfs/dbraw/zinc/26/35/74/519263574.db2.gz PMHFCMUCWBMYSL-ZDUSSCGKSA-N 0 1 289.379 3.588 20 0 CHADMN Cc1ccncc1CNCc1cnc(-c2ccccc2)s1 ZINC000354462494 534418548 /nfs/dbraw/zinc/41/85/48/534418548.db2.gz NPDGKZQGKRZKRC-UHFFFAOYSA-N 0 1 295.411 3.803 20 0 CHADMN CC(C)C[C@H](N)c1noc(C2(CC(C)C)CCC2)n1 ZINC000339398012 519373482 /nfs/dbraw/zinc/37/34/82/519373482.db2.gz UENWNAUEGQOCEZ-LBPRGKRZSA-N 0 1 265.401 3.583 20 0 CHADMN CC(C)C[C@H](N)c1noc(CC(C)(C)c2ccccc2)n1 ZINC000339397905 519373863 /nfs/dbraw/zinc/37/38/63/519373863.db2.gz UMDZFHIUKXZLSS-AWEZNQCLSA-N 0 1 287.407 3.636 20 0 CHADMN CC(C)C[C@H](N)c1noc(C(C)(C)c2ccc(F)cc2)n1 ZINC000339386298 519374249 /nfs/dbraw/zinc/37/42/49/519374249.db2.gz AVMGEKDIRLLACL-ZDUSSCGKSA-N 0 1 291.370 3.581 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2Cc3ccccc3S2)n1 ZINC000339386553 519381196 /nfs/dbraw/zinc/38/11/96/519381196.db2.gz FRMYYOZNPGRTNV-AAEUAGOBSA-N 0 1 289.404 3.505 20 0 CHADMN CC(C)CCN(C(=O)c1ccc2cncn2c1)C1CCCC1 ZINC000339890759 519650136 /nfs/dbraw/zinc/65/01/36/519650136.db2.gz JWRLKMWPPVGEGX-UHFFFAOYSA-N 0 1 299.418 3.765 20 0 CHADMN Fc1cc(Cl)cc(CN[C@H]2COCc3ccccc32)c1 ZINC000418106006 534443239 /nfs/dbraw/zinc/44/32/39/534443239.db2.gz MIMQDDCVZSLGOR-INIZCTEOSA-N 0 1 291.753 3.840 20 0 CHADMN CC(C)CC[C@@H]1CCCN1Cc1ncc(C2CC2)o1 ZINC000340691411 519686225 /nfs/dbraw/zinc/68/62/25/519686225.db2.gz MCHMXNLHHMHZKZ-AWEZNQCLSA-N 0 1 262.397 3.953 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)c2cncs2)c1 ZINC000121640945 519749104 /nfs/dbraw/zinc/74/91/04/519749104.db2.gz RBFPZMIEEUHNAS-QWRGUYRKSA-N 0 1 289.404 3.513 20 0 CHADMN CC(C)O[C@H](CN1CCC[C@H]1c1cc[nH]n1)c1ccccc1 ZINC000292881919 519777226 /nfs/dbraw/zinc/77/72/26/519777226.db2.gz PSAVNXXKPWASDA-ZWKOTPCHSA-N 0 1 299.418 3.713 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1ccc(Br)o1 ZINC000307038361 519825172 /nfs/dbraw/zinc/82/51/72/519825172.db2.gz PGHRYOLMNANTLW-LLVKDONJSA-N 0 1 272.186 3.663 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC[C@H]1C ZINC000076117704 519846250 /nfs/dbraw/zinc/84/62/50/519846250.db2.gz IMCLNLKNCNTHSS-KGLIPLIRSA-N 0 1 274.408 3.621 20 0 CHADMN CC(C)n1cc([C@H](C)NCc2cnc3ccccc3c2)cn1 ZINC000337199004 519981921 /nfs/dbraw/zinc/98/19/21/519981921.db2.gz DNSRUZBWDCBPLP-AWEZNQCLSA-N 0 1 294.402 3.863 20 0 CHADMN CC(C)n1nccc1CNCc1ccc(C(C)(F)F)cc1 ZINC000293009367 520107581 /nfs/dbraw/zinc/10/75/81/520107581.db2.gz PPKSPTGGZCOXTC-UHFFFAOYSA-N 0 1 293.361 3.866 20 0 CHADMN CCOC[C@H](NCc1nc(Cl)ccc1Cl)C(C)C ZINC000286334656 520149997 /nfs/dbraw/zinc/14/99/97/520149997.db2.gz XEGJDNCFXZZOSQ-LBPRGKRZSA-N 0 1 291.222 3.539 20 0 CHADMN CCOC[C@H]1CCCN([C@@H](C)c2c(F)cccc2F)C1 ZINC000072977292 520171868 /nfs/dbraw/zinc/17/18/68/520171868.db2.gz IBPYPOCUKAAQIK-STQMWFEESA-N 0 1 283.362 3.774 20 0 CHADMN CCCCCN(Cc1ncnn1-c1ccccc1)C(C)C ZINC000337124483 520177362 /nfs/dbraw/zinc/17/73/62/520177362.db2.gz DALAMFUGMCPSRB-UHFFFAOYSA-N 0 1 286.423 3.668 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(F)F)cc2)[C@H](C)[C@@H](C)O1 ZINC000354915896 534474547 /nfs/dbraw/zinc/47/45/47/534474547.db2.gz GCVHQPISAFFHNY-IJLUTSLNSA-N 0 1 269.335 3.622 20 0 CHADMN CC1(C)CCC[C@@H](C(=O)Nc2ccc3nc[nH]c3c2)C1 ZINC000339404720 520339329 /nfs/dbraw/zinc/33/93/29/520339329.db2.gz IZZTYDGPFIWDBY-LLVKDONJSA-N 0 1 271.364 3.718 20 0 CHADMN CCCOc1ccc(CN[C@@H](C)c2cc(C)oc2C)cn1 ZINC000278793704 520372241 /nfs/dbraw/zinc/37/22/41/520372241.db2.gz QMSCYYBGXKKJNG-ZDUSSCGKSA-N 0 1 288.391 3.931 20 0 CHADMN CC1(C)CCc2ccccc2[C@@H]1NCc1ccc(CO)o1 ZINC000269843315 520412994 /nfs/dbraw/zinc/41/29/94/520412994.db2.gz VYHCCSSPQSORDZ-KRWDZBQOSA-N 0 1 285.387 3.575 20 0 CHADMN CCCOc1cccc(CNCc2c(C)onc2CC)c1 ZINC000339441381 520456254 /nfs/dbraw/zinc/45/62/54/520456254.db2.gz LXEDFYJLPAPGLD-UHFFFAOYSA-N 0 1 288.391 3.624 20 0 CHADMN Fc1ccc2c(c1)CN(Cc1ccc3ncccc3c1)CC2 ZINC000353465877 534500095 /nfs/dbraw/zinc/50/00/95/534500095.db2.gz VZQCMCUPXBUBQL-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN CCOc1cc(CN[C@H](C)c2ccc(C)o2)ccc1OC ZINC000034993649 520729632 /nfs/dbraw/zinc/72/96/32/520729632.db2.gz SOZBVIAJPXZTOL-CYBMUJFWSA-N 0 1 289.375 3.846 20 0 CHADMN CC1=C[C@@H](C)C[C@@H](CN(C)Cc2nccn2C(F)F)C1 ZINC000290515460 520881777 /nfs/dbraw/zinc/88/17/77/520881777.db2.gz UFPULKGITZPLAI-DGCLKSJQSA-N 0 1 283.366 3.702 20 0 CHADMN CCCCOc1cccc(CNCc2ccco2)c1 ZINC000032111153 520903628 /nfs/dbraw/zinc/90/36/28/520903628.db2.gz XQAVICIPJJYVCU-UHFFFAOYSA-N 0 1 259.349 3.748 20 0 CHADMN CCOc1ccc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)cc1F ZINC000292865628 520978794 /nfs/dbraw/zinc/97/87/94/520978794.db2.gz VVFMGFWTGJJLAN-LSDHHAIUSA-N 0 1 299.336 3.702 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccc(C)o2)cc1 ZINC000034993622 521006534 /nfs/dbraw/zinc/00/65/34/521006534.db2.gz OACMTWCJKFNEJZ-ZDUSSCGKSA-N 0 1 259.349 3.838 20 0 CHADMN CC1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000057846758 521025427 /nfs/dbraw/zinc/02/54/27/521025427.db2.gz ALKUXKSFDQNWIU-UHFFFAOYSA-N 0 1 291.782 3.622 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263582636 521068824 /nfs/dbraw/zinc/06/88/24/521068824.db2.gz YVSSFIAAHKIWSD-XJKSGUPXSA-N 0 1 275.392 3.785 20 0 CHADMN CCC[C@H](N[C@H](C)c1cscn1)[C@@H](O)c1ccccc1 ZINC000280034993 521174528 /nfs/dbraw/zinc/17/45/28/521174528.db2.gz ILQKJPKXRUQEJC-INWMFGNUSA-N 0 1 290.432 3.696 20 0 CHADMN CCC[C@H]1CCCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000253552358 521210857 /nfs/dbraw/zinc/21/08/57/521210857.db2.gz UKNQLPLMDDUNAD-KGLIPLIRSA-N 0 1 299.418 3.909 20 0 CHADMN Cc1cnc(CN2CC[C@H](C(C)(C)C)C[C@H]2C)o1 ZINC000347581759 534552028 /nfs/dbraw/zinc/55/20/28/534552028.db2.gz OKLPHGWIJOWYDQ-YPMHNXCESA-N 0 1 250.386 3.630 20 0 CHADMN CCC[C@]1(C)CCCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000338570853 521310137 /nfs/dbraw/zinc/31/01/37/521310137.db2.gz CKHPLDJMPDGJME-GOSISDBHSA-N 0 1 299.418 3.914 20 0 CHADMN CCCCc1nc2ccc(NC(=O)c3ccco3)cc2[nH]1 ZINC000337009588 521312057 /nfs/dbraw/zinc/31/20/57/521312057.db2.gz DYQRCKSBOGMILW-UHFFFAOYSA-N 0 1 283.331 3.751 20 0 CHADMN CCN(Cc1ccc(F)nc1C)[C@H](C)c1cccc(O)c1 ZINC000278406770 521315807 /nfs/dbraw/zinc/31/58/07/521315807.db2.gz GPBHQGRAZYWIQB-CYBMUJFWSA-N 0 1 288.366 3.818 20 0 CHADMN CCOc1cccc(CNCc2ccc3c(n2)CCCC3)c1 ZINC000277809628 521368136 /nfs/dbraw/zinc/36/81/36/521368136.db2.gz YSAQIQGESXEYDL-UHFFFAOYSA-N 0 1 296.414 3.649 20 0 CHADMN CCN(Cc1ccccc1OC)[C@H](C)c1cccnc1 ZINC000290561743 521387502 /nfs/dbraw/zinc/38/75/02/521387502.db2.gz SKGGYBCALLLLDB-CQSZACIVSA-N 0 1 270.376 3.673 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2occc2C)c1 ZINC000266229319 521413273 /nfs/dbraw/zinc/41/32/73/521413273.db2.gz UEIVMJZBYLIMPG-CYBMUJFWSA-N 0 1 259.349 3.838 20 0 CHADMN CCCc1ccc([C@H](C)N[C@H](C)c2n[nH]c(CC)n2)cc1 ZINC000271534204 521418273 /nfs/dbraw/zinc/41/82/73/521418273.db2.gz QAWMXVOXUATEJV-QWHCGFSZSA-N 0 1 286.423 3.731 20 0 CHADMN CCCc1nc(C)c(CNC/C=C/c2ccc(F)cc2)o1 ZINC000291812149 521493535 /nfs/dbraw/zinc/49/35/35/521493535.db2.gz YGYZYEAZVZTXOY-GQCTYLIASA-N 0 1 288.366 3.878 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@H](C)c1cncs1 ZINC000268879257 521586110 /nfs/dbraw/zinc/58/61/10/521586110.db2.gz FDXSCHUWZUJDPJ-NWDGAFQWSA-N 0 1 276.405 3.954 20 0 CHADMN CCCn1cc(CN[C@H](C)c2ccccc2SC)cn1 ZINC000337257740 521652869 /nfs/dbraw/zinc/65/28/69/521652869.db2.gz OEFMZHPIPUFZAO-CYBMUJFWSA-N 0 1 289.448 3.866 20 0 CHADMN CCOCC(C)(C)NCc1cc(-c2ccc(C)cc2)no1 ZINC000293373823 521671155 /nfs/dbraw/zinc/67/11/55/521671155.db2.gz VNDQMDVWBLUWLM-UHFFFAOYSA-N 0 1 288.391 3.555 20 0 CHADMN CCCN(Cc1ccon1)[C@@H]1CCc2ccccc21 ZINC000265806205 521691441 /nfs/dbraw/zinc/69/14/41/521691441.db2.gz DIOOBYMEVAWEDQ-MRXNPFEDSA-N 0 1 256.349 3.574 20 0 CHADMN CCS[C@@H]1CC[C@@H](N(C)Cc2ncc(C3CC3)o2)C1 ZINC000340689907 521726891 /nfs/dbraw/zinc/72/68/91/521726891.db2.gz BRNTUSSNVFHSCW-CHWSQXEVSA-N 0 1 280.437 3.658 20 0 CHADMN CCS[C@H](C)c1noc(CNC2[C@H](C)CCC[C@H]2C)n1 ZINC000245864262 521729380 /nfs/dbraw/zinc/72/93/80/521729380.db2.gz JLQGXXUSHGZDCX-IJLUTSLNSA-N 0 1 297.468 3.798 20 0 CHADMN CCSc1ccc([C@H](C)NCc2conc2C)cc1 ZINC000339241788 521750847 /nfs/dbraw/zinc/75/08/47/521750847.db2.gz RTQKINRXZXMXDS-NSHDSACASA-N 0 1 276.405 3.946 20 0 CHADMN CCSc1ccc([C@H](C)NCc2cnn(CC)c2)cc1 ZINC000112098606 521751046 /nfs/dbraw/zinc/75/10/46/521751046.db2.gz WPYOIORRAXYLRC-ZDUSSCGKSA-N 0 1 289.448 3.866 20 0 CHADMN CCSc1ccccc1[C@@H](C)N[C@H](C)c1cnn(C)c1 ZINC000163873858 521782291 /nfs/dbraw/zinc/78/22/91/521782291.db2.gz ODDICFXGKYTCOG-CHWSQXEVSA-N 0 1 289.448 3.944 20 0 CHADMN COC(=O)c1cc(CN[C@H](C)c2ccccc2C)oc1C ZINC000034994119 521859119 /nfs/dbraw/zinc/85/91/19/521859119.db2.gz WMSILOZWLAFFBG-GFCCVEGCSA-N 0 1 287.359 3.534 20 0 CHADMN CC[C@@H](C(=O)Nc1ccsc1)N(C)Cc1ccccc1 ZINC000339279368 521876033 /nfs/dbraw/zinc/87/60/33/521876033.db2.gz CNHAUTOAYNCORJ-HNNXBMFYSA-N 0 1 288.416 3.597 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2ccc(C)c(F)c2)n[nH]1 ZINC000277163700 522053393 /nfs/dbraw/zinc/05/33/93/522053393.db2.gz HACLQDBCTHLLQO-JQWIXIFHSA-N 0 1 290.386 3.617 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@@H]2CCCc3occc32)n[nH]1 ZINC000278812699 522056504 /nfs/dbraw/zinc/05/65/04/522056504.db2.gz RZOLHXDVVLTTLT-GMXVVIOVSA-N 0 1 288.395 3.639 20 0 CHADMN Cc1nc([C@H]2CCCN2CCSC(C)C)cs1 ZINC000366984551 534609061 /nfs/dbraw/zinc/60/90/61/534609061.db2.gz XEJHBGJPZQZIRS-CYBMUJFWSA-N 0 1 270.467 3.730 20 0 CHADMN COC(=O)c1ccc([C@@H](C)N[C@H](c2ccccc2)C2CC2)o1 ZINC000272099911 522159391 /nfs/dbraw/zinc/15/93/91/522159391.db2.gz ZLEYORJOKXXDKV-SJKOYZFVSA-N 0 1 299.370 3.868 20 0 CHADMN COc1cc(C)c([C@@H](C)NCc2ccc(C)o2)cc1OC ZINC000067690286 522225836 /nfs/dbraw/zinc/22/58/36/522225836.db2.gz YFCQAUGUAWUENX-CYBMUJFWSA-N 0 1 289.375 3.764 20 0 CHADMN CCc1nc(C)c([C@H](C)N[C@H](C)c2cnn(CC)c2)s1 ZINC000296092751 522235346 /nfs/dbraw/zinc/23/53/46/522235346.db2.gz YGWHCGCVKISCCT-MNOVXSKESA-N 0 1 292.452 3.642 20 0 CHADMN CCc1nc(CN[C@H]2C[C@H](c3ccccc3)C2)cs1 ZINC000280632589 522357153 /nfs/dbraw/zinc/35/71/53/522357153.db2.gz MGYRREOCIUHMJB-HDJSIYSDSA-N 0 1 272.417 3.741 20 0 CHADMN COC(=O)c1coc(CNCc2ccc(C3CCC3)cc2)c1 ZINC000277095826 522370180 /nfs/dbraw/zinc/37/01/80/522370180.db2.gz UWBITGUIHKMWSR-UHFFFAOYSA-N 0 1 299.370 3.624 20 0 CHADMN COC[C@@H](N[C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000291166066 522381548 /nfs/dbraw/zinc/38/15/48/522381548.db2.gz JLWODEHNJSRGKP-ZWKOTPCHSA-N 0 1 297.398 3.747 20 0 CHADMN COc1cc(CN[C@H](C)c2ccccc2Cl)ccn1 ZINC000062057706 522484100 /nfs/dbraw/zinc/48/41/00/522484100.db2.gz MGJMYWBAGGSPKW-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@H](C)c1ccncc1F ZINC000340359284 522489269 /nfs/dbraw/zinc/48/92/69/522489269.db2.gz OLLYWPGMBHBIOE-BDAKNGLRSA-N 0 1 264.266 3.602 20 0 CHADMN COC(C)(C)CNCc1csc(Cl)c1Cl ZINC000309180339 522494008 /nfs/dbraw/zinc/49/40/08/522494008.db2.gz NPUZGGMGOZSFJT-UHFFFAOYSA-N 0 1 268.209 3.570 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2cc(C)ccc2OC)s1 ZINC000037924192 522552058 /nfs/dbraw/zinc/55/20/58/522552058.db2.gz YQUNQPPGKUZCLI-LBPRGKRZSA-N 0 1 290.432 3.873 20 0 CHADMN CC[C@H](NCc1c[nH]nc1C)c1ccc(Cl)s1 ZINC000265191886 522637641 /nfs/dbraw/zinc/63/76/41/522637641.db2.gz YMEZQKRVDAWRLU-JTQLQIEISA-N 0 1 269.801 3.674 20 0 CHADMN CC[C@H](NCc1ccc(C2CC2)cc1F)c1cnn(C)c1 ZINC000293285331 522645831 /nfs/dbraw/zinc/64/58/31/522645831.db2.gz CZVWGIYYYHUHTM-KRWDZBQOSA-N 0 1 287.382 3.678 20 0 CHADMN C[N@@H+](CCCC(C)(C)C)Cc1nc(=O)c2sccc2[n-]1 ZINC000275502440 522726176 /nfs/dbraw/zinc/72/61/76/522726176.db2.gz VJQQBJWOHBWHBN-UHFFFAOYSA-N 0 1 293.436 3.655 20 0 CHADMN COC[C@H](NCCC(F)(F)F)c1ccc(Cl)cc1 ZINC000278601905 522735381 /nfs/dbraw/zinc/73/53/81/522735381.db2.gz HENHKCDVCGHBAX-NSHDSACASA-N 0 1 281.705 3.570 20 0 CHADMN COC[C@H](NCC[C@H](C)F)c1cccc(Cl)c1F ZINC000340467336 522737913 /nfs/dbraw/zinc/73/79/13/522737913.db2.gz GZPLSKAKSULUPR-CABZTGNLSA-N 0 1 277.742 3.504 20 0 CHADMN CC[C@H](N[C@H](C)c1nc(Cc2ccccc2)no1)C(C)C ZINC000236991097 522744453 /nfs/dbraw/zinc/74/44/53/522744453.db2.gz GUYBPHCYAOIEDX-HIFRSBDPSA-N 0 1 287.407 3.746 20 0 CHADMN COCC(C)(C)CCC[NH2+]Cc1cccc([O-])c1Cl ZINC000293064984 522806837 /nfs/dbraw/zinc/80/68/37/522806837.db2.gz UZJZNEKUSFRBDV-UHFFFAOYSA-N 0 1 285.815 3.588 20 0 CHADMN COCC(C)(C)N(C)Cc1nc(-c2ccccc2)cs1 ZINC000292388691 522812943 /nfs/dbraw/zinc/81/29/43/522812943.db2.gz SCIAEIOQTRVVNX-UHFFFAOYSA-N 0 1 290.432 3.667 20 0 CHADMN CCc1noc(C)c1CNCc1ccc2c(c1)CCCC2 ZINC000292935491 522846152 /nfs/dbraw/zinc/84/61/52/522846152.db2.gz JKUWJGKKFDIVQH-UHFFFAOYSA-N 0 1 284.403 3.714 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cc(C)ccn1)c1c(C)nn(C)c1C ZINC000353526369 522912189 /nfs/dbraw/zinc/91/21/89/522912189.db2.gz AJUNLKDRAIJIJG-SWLSCSKDSA-N 0 1 286.423 3.542 20 0 CHADMN CC[C@@H](N[C@H](C(=O)N(C)C)c1ccccc1)c1ccccc1 ZINC000265287828 522929404 /nfs/dbraw/zinc/92/94/04/522929404.db2.gz YQXFUPJGOIAZEU-MSOLQXFVSA-N 0 1 296.414 3.557 20 0 CHADMN CCc1nocc1CNCc1ccc2ccccc2c1 ZINC000339201669 522949104 /nfs/dbraw/zinc/94/91/04/522949104.db2.gz NUJWBHZFZYOHLX-UHFFFAOYSA-N 0 1 266.344 3.680 20 0 CHADMN COCc1ccc(CNCc2ccc3[nH]c(C)cc3c2)o1 ZINC000353115905 522987962 /nfs/dbraw/zinc/98/79/62/522987962.db2.gz FRRVBFCOJRJLCW-UHFFFAOYSA-N 0 1 284.359 3.506 20 0 CHADMN CC[C@H]1CCCC[C@@H]1N(C)Cc1ncnn1-c1ccccc1 ZINC000337206630 523037064 /nfs/dbraw/zinc/03/70/64/523037064.db2.gz MXSHJSHNLFAJRI-RDJZCZTQSA-N 0 1 298.434 3.668 20 0 CHADMN CCc1sc(-c2nnc(CN(CC)CC)o2)cc1C ZINC000337329435 523064100 /nfs/dbraw/zinc/06/41/00/523064100.db2.gz FSCPFVPJIWADGA-UHFFFAOYSA-N 0 1 279.409 3.511 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1Cl)N(C)Cc1nnc[nH]1 ZINC000275767754 523088308 /nfs/dbraw/zinc/08/83/08/523088308.db2.gz YMCOFIKCWSHEEC-LBPRGKRZSA-N 0 1 299.205 3.695 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CCCC(=O)[O-])CC(C)C ZINC000262284456 523101221 /nfs/dbraw/zinc/10/12/21/523101221.db2.gz WHNAHFQQYOSTBJ-INIZCTEOSA-N 0 1 277.408 3.961 20 0 CHADMN CO[C@@H](C)CN[C@H](C)c1cc(Cl)sc1Cl ZINC000188136142 523422242 /nfs/dbraw/zinc/42/22/42/523422242.db2.gz KJUYQEOWGVRYEX-NKWVEPMBSA-N 0 1 268.209 3.740 20 0 CHADMN Cc1cccc(CNc2ccc3nc[nH]c3c2)c1C ZINC000346686064 534716579 /nfs/dbraw/zinc/71/65/79/534716579.db2.gz RMWVNGRRVXSZPN-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN CCn1cnnc1CN[C@@H](c1ccc(C)cc1)C1CCCC1 ZINC000275839815 523591425 /nfs/dbraw/zinc/59/14/25/523591425.db2.gz JEDISECYGHMZRO-GOSISDBHSA-N 0 1 298.434 3.628 20 0 CHADMN CCn1nc(CNCc2sccc2C)c2ccccc21 ZINC000094879382 523680133 /nfs/dbraw/zinc/68/01/33/523680133.db2.gz LAXPWFCIECKKIC-UHFFFAOYSA-N 0 1 285.416 3.716 20 0 CHADMN CCn1nccc1CN1CCCCC[C@@H]1c1ccco1 ZINC000126849703 523726488 /nfs/dbraw/zinc/72/64/88/523726488.db2.gz KMGFBYAPKBMCCX-OAHLLOKOSA-N 0 1 273.380 3.613 20 0 CHADMN CCc1c2ccccc2oc1[C@@H](C)NCc1ccnn1C ZINC000071138916 523730297 /nfs/dbraw/zinc/73/02/97/523730297.db2.gz MLJNQXYYRVUGSV-GFCCVEGCSA-N 0 1 283.375 3.580 20 0 CHADMN COCCN([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000339925269 523780666 /nfs/dbraw/zinc/78/06/66/523780666.db2.gz XDDUMVOSQVNUAN-NSHDSACASA-N 0 1 253.773 3.512 20 0 CHADMN CCc1ccc(C(C)(C)NCc2ccccn2)cc1 ZINC000083477822 523901875 /nfs/dbraw/zinc/90/18/75/523901875.db2.gz YVCJGOVZDQZDFT-UHFFFAOYSA-N 0 1 254.377 3.669 20 0 CHADMN COc1ccc(CN2CCC=C(c3ccco3)C2)cc1OC ZINC000289523477 524025187 /nfs/dbraw/zinc/02/51/87/524025187.db2.gz POAOXHYNTRXVMM-UHFFFAOYSA-N 0 1 299.370 3.586 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccnn2C(C)C)cc1 ZINC000279928236 524025669 /nfs/dbraw/zinc/02/56/69/524025669.db2.gz MZGSJXUTILOPDB-CQSZACIVSA-N 0 1 271.408 3.877 20 0 CHADMN CCc1ccc([C@H](C)NCc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000292887828 524046511 /nfs/dbraw/zinc/04/65/11/524046511.db2.gz IWZWSHJYGGPVFH-LBPRGKRZSA-N 0 1 286.423 3.515 20 0 CHADMN COc1ccc(CNCc2ccc(C)o2)cc1Cl ZINC000086585949 524072828 /nfs/dbraw/zinc/07/28/28/524072828.db2.gz AYEQDBGBBXWYTC-UHFFFAOYSA-N 0 1 265.740 3.540 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cccc(O)c2)cc1Cl ZINC000086585438 524083996 /nfs/dbraw/zinc/08/39/96/524083996.db2.gz DLUSOCWFGDEXEH-NSHDSACASA-N 0 1 291.778 3.905 20 0 CHADMN Cc1ccc(C)c(NC(=O)CNC2(c3ccccc3)CC2)c1 ZINC000263999324 524136031 /nfs/dbraw/zinc/13/60/31/524136031.db2.gz NALRCZFBUXGMRZ-UHFFFAOYSA-N 0 1 294.398 3.521 20 0 CHADMN COc1ccc(Cl)cc1-c1n[nH]c(SCC2CC2)n1 ZINC000128705850 524191817 /nfs/dbraw/zinc/19/18/17/524191817.db2.gz LYIOHNGRAAIXJL-UHFFFAOYSA-N 0 1 295.795 3.636 20 0 CHADMN Cc1ccc(C)c([C@H]2CCC[N@H+]2CCCCC(=O)[O-])c1 ZINC000263578933 524212836 /nfs/dbraw/zinc/21/28/36/524212836.db2.gz TZCLREQBKLTEMN-MRXNPFEDSA-N 0 1 275.392 3.695 20 0 CHADMN C[C@@H]1CCCN(Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000057829867 524237626 /nfs/dbraw/zinc/23/76/26/524237626.db2.gz CQXDMKAAHVNMIF-LLVKDONJSA-N 0 1 291.782 3.622 20 0 CHADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1F)N1[C@H](C)CC[C@@H]1C ZINC000164149366 524253433 /nfs/dbraw/zinc/25/34/33/524253433.db2.gz XVXMIVVBHUCJGQ-AXFHLTTASA-N 0 1 298.789 3.679 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN[C@H](C)c1cccs1 ZINC000340333277 524280581 /nfs/dbraw/zinc/28/05/81/524280581.db2.gz SOXPRSGVTXADHU-CYBMUJFWSA-N 0 1 288.416 3.654 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000086725383 524295466 /nfs/dbraw/zinc/29/54/66/524295466.db2.gz FEXKCTFQWDWQFB-CQSZACIVSA-N 0 1 283.371 3.620 20 0 CHADMN COc1ccccc1/C=C/CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000292808542 524318656 /nfs/dbraw/zinc/31/86/56/524318656.db2.gz OKRYULJHBKSNFY-KJKYUDHTSA-N 0 1 293.357 3.686 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1ccnc(Cl)c1Cl ZINC000290321528 524320108 /nfs/dbraw/zinc/32/01/08/524320108.db2.gz BPIGSVSWTXFNPY-QMMMGPOBSA-N 0 1 259.180 3.619 20 0 CHADMN Cc1cc(C)cc(CNCc2cn3cccc(C)c3n2)c1 ZINC000076894869 524384468 /nfs/dbraw/zinc/38/44/68/524384468.db2.gz AXMGCECAFKXPLX-UHFFFAOYSA-N 0 1 279.387 3.549 20 0 CHADMN Cc1cc(C)cc(CN[C@@H](C)c2ccncc2F)c1 ZINC000337946846 524385408 /nfs/dbraw/zinc/38/54/08/524385408.db2.gz XEEFHGNTXILUFQ-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(F)nc2C)s1 ZINC000278516823 524394054 /nfs/dbraw/zinc/39/40/54/524394054.db2.gz XMTBDHJNVKLSPN-UHFFFAOYSA-N 0 1 264.369 3.531 20 0 CHADMN Cc1ccc(CN(Cc2ccccn2)C2CC2)s1 ZINC000290343818 524420996 /nfs/dbraw/zinc/42/09/96/524420996.db2.gz FQYURJZPIRDWAC-UHFFFAOYSA-N 0 1 258.390 3.616 20 0 CHADMN COc1ccccc1CNC(C)(C)c1ccccc1F ZINC000291824521 524484789 /nfs/dbraw/zinc/48/47/89/524484789.db2.gz ZMKQHWRUBBDUMZ-UHFFFAOYSA-N 0 1 273.351 3.859 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)o1 ZINC000079924167 524598156 /nfs/dbraw/zinc/59/81/56/524598156.db2.gz BZMXVXDFJQXXRO-GOSISDBHSA-N 0 1 299.370 3.600 20 0 CHADMN Cc1cccc(NC(=O)[C@H]2CCCN2Cc2ccccc2)c1 ZINC000336961725 524656148 /nfs/dbraw/zinc/65/61/48/524656148.db2.gz DHFYPQKCTYTYBL-GOSISDBHSA-N 0 1 294.398 3.598 20 0 CHADMN Cc1ccc(C[C@@H](C)N(C)Cc2nccn2C(F)F)cc1 ZINC000156855352 524658632 /nfs/dbraw/zinc/65/86/32/524658632.db2.gz RCLNCLDISMZJJN-CYBMUJFWSA-N 0 1 293.361 3.650 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cn(C(C)C)nc1C ZINC000281234815 524725139 /nfs/dbraw/zinc/72/51/39/524725139.db2.gz FASWOYFSHFOOTC-CQSZACIVSA-N 0 1 287.407 3.632 20 0 CHADMN Cc1cc(CN[C@H]2c3ccccc3O[C@H]2C)cs1 ZINC000296009563 524785554 /nfs/dbraw/zinc/78/55/54/524785554.db2.gz LOMPUUSUIITBBY-XHDPSFHLSA-N 0 1 259.374 3.668 20 0 CHADMN Cc1cc(CN[C@H]2C[C@H](C(C)C)c3ccccc32)on1 ZINC000278846092 524786325 /nfs/dbraw/zinc/78/63/25/524786325.db2.gz VDTRAOSHGAHNEB-SJORKVTESA-N 0 1 270.376 3.957 20 0 CHADMN COc1ccccc1[C@H](NCC(C)C)c1ccco1 ZINC000122495402 524798096 /nfs/dbraw/zinc/79/80/96/524798096.db2.gz NMJJLRHBGRBUIF-INIZCTEOSA-N 0 1 259.349 3.623 20 0 CHADMN Cc1ccc(F)c(CN[C@H](c2cccnc2)C2CC2)c1 ZINC000340108623 524809900 /nfs/dbraw/zinc/80/99/00/524809900.db2.gz JMORCQZXNSTLGA-KRWDZBQOSA-N 0 1 270.351 3.770 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNCCC(=O)Nc2ccccc2)o1 ZINC000237562747 524860676 /nfs/dbraw/zinc/86/06/76/524860676.db2.gz QYCXKYCGRLRQSO-BBRMVZONSA-N 0 1 298.386 3.521 20 0 CHADMN Cc1cccc([C@H](C)NCc2n[nH]c(C(C)(C)C)n2)c1C ZINC000293028091 524874987 /nfs/dbraw/zinc/87/49/87/524874987.db2.gz VXCPOAVIDKIXKR-ZDUSSCGKSA-N 0 1 286.423 3.570 20 0 CHADMN Cc1cc(Cl)ccc1-c1nc(C2(N)CCCCC2)no1 ZINC000235794936 524880239 /nfs/dbraw/zinc/88/02/39/524880239.db2.gz MGGFHTAYDFDKBO-UHFFFAOYSA-N 0 1 291.782 3.817 20 0 CHADMN Cc1cccc2nc(CNC3(c4ccccc4)CCC3)cn21 ZINC000104664586 524987256 /nfs/dbraw/zinc/98/72/56/524987256.db2.gz XHCWKNNYUPIXHF-UHFFFAOYSA-N 0 1 291.398 3.812 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H](C2CC2)O1 ZINC000279346469 524992697 /nfs/dbraw/zinc/99/26/97/524992697.db2.gz QCXXBRRTWVTAKQ-IAQYHMDHSA-N 0 1 281.346 3.624 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cnc(C)s2)cc1 ZINC000098132356 525299760 /nfs/dbraw/zinc/29/97/60/525299760.db2.gz ZLYOGLSWROYDAP-NSHDSACASA-N 0 1 276.405 3.653 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cncs2)cc1 ZINC000130049126 525328732 /nfs/dbraw/zinc/32/87/32/525328732.db2.gz DWIHQVIWTHWLTQ-QWRGUYRKSA-N 0 1 262.378 3.564 20 0 CHADMN C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccsc1 ZINC000061367941 525330924 /nfs/dbraw/zinc/33/09/24/525330924.db2.gz IQSNZLFVXOITGV-MRVPVSSYSA-N 0 1 281.764 3.598 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNCCC(=O)Nc2ccccc2)o1 ZINC000237360651 525342627 /nfs/dbraw/zinc/34/26/27/525342627.db2.gz QYCXKYCGRLRQSO-CJNGLKHVSA-N 0 1 298.386 3.521 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2cccc(F)c2)o1 ZINC000020473440 525343151 /nfs/dbraw/zinc/34/31/51/525343151.db2.gz JCGQOUGIAHRYJJ-ABAIWWIYSA-N 0 1 259.324 3.832 20 0 CHADMN C[C@H](NCc1ccc(OC(F)F)cc1)c1ccccn1 ZINC000020123206 525447855 /nfs/dbraw/zinc/44/78/55/525447855.db2.gz UMXHIOKYCXEIBB-NSHDSACASA-N 0 1 278.302 3.534 20 0 CHADMN C[C@H](NCc1ccc2c(n1)CCCC2)c1ccc(F)cc1 ZINC000277480219 525454009 /nfs/dbraw/zinc/45/40/09/525454009.db2.gz BPGGUGFVTLRUTD-ZDUSSCGKSA-N 0 1 284.378 3.950 20 0 CHADMN C[C@H](NCc1ccn(C)n1)c1ccc(F)c2ccccc21 ZINC000340316449 525469703 /nfs/dbraw/zinc/46/97/03/525469703.db2.gz GKGMJOJLNVYNHD-LBPRGKRZSA-N 0 1 283.350 3.563 20 0 CHADMN CSCCCN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000274665355 525484046 /nfs/dbraw/zinc/48/40/46/525484046.db2.gz XCBCRPIVIXBPEX-SSDOTTSWSA-N 0 1 284.372 3.566 20 0 CHADMN C[C@@H](NCc1cc2ccccc2s1)c1cnccn1 ZINC000340425582 525516700 /nfs/dbraw/zinc/51/67/00/525516700.db2.gz YPZIYZSVYHVVTA-LLVKDONJSA-N 0 1 269.373 3.542 20 0 CHADMN C[C@@H](NCc1ccc(F)cc1F)c1ccc2n[nH]cc2c1 ZINC000353114792 525524092 /nfs/dbraw/zinc/52/40/92/525524092.db2.gz WVYFDXMLZKJOGF-SNVBAGLBSA-N 0 1 287.313 3.692 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2cnc3ccccc3c2)on1 ZINC000337143647 525547231 /nfs/dbraw/zinc/54/72/31/525547231.db2.gz VTXXKLYOZJBDCW-QGZVFWFLSA-N 0 1 293.370 3.868 20 0 CHADMN C[C@@H](NCc1cncs1)c1ccc2c(c1)CCCC2 ZINC000054770909 525553045 /nfs/dbraw/zinc/55/30/45/525553045.db2.gz ARZPHKVHACMOBB-GFCCVEGCSA-N 0 1 272.417 3.873 20 0 CHADMN C[C@H](N[C@@H]1CCCc2sccc21)c1ccccn1 ZINC000061324996 525563607 /nfs/dbraw/zinc/56/36/07/525563607.db2.gz DYXSCPYCBMYNOW-SMDDNHRTSA-N 0 1 258.390 3.871 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1cccs1)CCO2 ZINC000037235424 525578855 /nfs/dbraw/zinc/57/88/55/525578855.db2.gz SLNCJZLVSVKJNL-FZMZJTMJSA-N 0 1 289.400 3.931 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(OC(F)(F)F)cc1)c1cn[nH]c1 ZINC000222462317 525609950 /nfs/dbraw/zinc/60/99/50/525609950.db2.gz RPZQLTPKGOVWTF-VHSXEESVSA-N 0 1 299.296 3.720 20 0 CHADMN C[C@H](N[C@H]1CCCOc2ccccc21)c1ccco1 ZINC000133601125 525611024 /nfs/dbraw/zinc/61/10/24/525611024.db2.gz CFIKNTIDUPETLZ-JSGCOSHPSA-N 0 1 257.333 3.844 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccco1)[C@H]1OCCc2sccc21 ZINC000292008313 525617147 /nfs/dbraw/zinc/61/71/47/525617147.db2.gz YJNSQGMFORHXJX-FIXISWKDSA-N 0 1 277.389 3.694 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C)CC2CCCCC2)c1 ZINC000338683634 525630178 /nfs/dbraw/zinc/63/01/78/525630178.db2.gz IMLYOTPIAGVOKT-UHFFFAOYSA-N 0 1 285.391 3.524 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000338638707 525630882 /nfs/dbraw/zinc/63/08/82/525630882.db2.gz GRTCFMYKVLWVKZ-CJNGLKHVSA-N 0 1 297.402 3.666 20 0 CHADMN C[C@@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(Cl)s1 ZINC000280177863 525680497 /nfs/dbraw/zinc/68/04/97/525680497.db2.gz RNATYROQNOBWHC-KOLCDFICSA-N 0 1 295.839 3.863 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cn3ccsc3n2)s1 ZINC000211869456 525736263 /nfs/dbraw/zinc/73/62/63/525736263.db2.gz WDHAARDXIGJCRJ-SNVBAGLBSA-N 0 1 277.418 3.617 20 0 CHADMN Cc1ccc([C@@H](C)NCc2n[nH]c(C(C)(C)C)n2)cc1C ZINC000292891133 525737383 /nfs/dbraw/zinc/73/73/83/525737383.db2.gz JFFGZYUYMCDOQG-CYBMUJFWSA-N 0 1 286.423 3.570 20 0 CHADMN CSCc1cccc(CNCc2ccnn2C(C)C)c1 ZINC000280516193 525739792 /nfs/dbraw/zinc/73/97/92/525739792.db2.gz HGEXVCYWVJFDMM-UHFFFAOYSA-N 0 1 289.448 3.617 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc3c(c2)OCO3)o1 ZINC000036960339 525742292 /nfs/dbraw/zinc/74/22/92/525742292.db2.gz NSPOISJUCWSAJN-NWDGAFQWSA-N 0 1 273.332 3.729 20 0 CHADMN Cc1ccc(-c2ccc(C)c(NC(=O)[C@H]3CCCN3C)c2)o1 ZINC000279806328 525751210 /nfs/dbraw/zinc/75/12/10/525751210.db2.gz NESMWWLTVLBANU-MRXNPFEDSA-N 0 1 298.386 3.596 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1ccccc1Cl ZINC000271501283 525764296 /nfs/dbraw/zinc/76/42/96/525764296.db2.gz OAPCLDHAXCKTDY-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1ccc([C@@H](O)CN2CC(C)(C)[C@H]2c2cccnc2)cc1 ZINC000292016597 525778630 /nfs/dbraw/zinc/77/86/30/525778630.db2.gz ZKAOWIBENFBXPY-ZWKOTPCHSA-N 0 1 296.414 3.507 20 0 CHADMN Cc1ccoc1CN(C)Cc1cn(C)nc1-c1ccccc1 ZINC000292723729 525797006 /nfs/dbraw/zinc/79/70/06/525797006.db2.gz FQKJFQBSZMYFLR-UHFFFAOYSA-N 0 1 295.386 3.621 20 0 CHADMN Cc1ccc([C@@H]2CCCCCN2Cc2cc(C)ncn2)o1 ZINC000292404533 525798616 /nfs/dbraw/zinc/79/86/16/525798616.db2.gz JTMRUCVRTWISNT-INIZCTEOSA-N 0 1 285.391 3.804 20 0 CHADMN Cc1ccsc1CN(Cc1cccnc1)C1CC1 ZINC000290540035 525845644 /nfs/dbraw/zinc/84/56/44/525845644.db2.gz RDXGZNMOWCDBFV-UHFFFAOYSA-N 0 1 258.390 3.616 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)N(Cc3ncnn3C(C)C)C2)cc1 ZINC000279718419 525853923 /nfs/dbraw/zinc/85/39/23/525853923.db2.gz LKEJMGWKHPIINV-DOTOQJQBSA-N 0 1 298.434 3.545 20 0 CHADMN Cc1ccsc1CNC1(c2ccccc2F)CC1 ZINC000130523721 525856934 /nfs/dbraw/zinc/85/69/34/525856934.db2.gz QUTIFLIJTFLMQE-UHFFFAOYSA-N 0 1 261.365 3.975 20 0 CHADMN COc1cccc(CN2CCC=C(c3ccco3)C2)c1OC ZINC000289382218 525934665 /nfs/dbraw/zinc/93/46/65/525934665.db2.gz MPOPXKUPTGXVJD-UHFFFAOYSA-N 0 1 299.370 3.586 20 0 CHADMN CSc1cc(C)ccc1CN[C@H](C)c1cccnc1 ZINC000151721775 525941199 /nfs/dbraw/zinc/94/11/99/525941199.db2.gz HITKNPUPNRYQPO-CYBMUJFWSA-N 0 1 272.417 3.963 20 0 CHADMN Cc1ccc([C@H](N[C@@H]2CCCSC2)c2ccccn2)cc1 ZINC000279721265 525971591 /nfs/dbraw/zinc/97/15/91/525971591.db2.gz UREQURIBSONVFI-AEFFLSMTSA-N 0 1 298.455 3.965 20 0 CHADMN Cc1cnc(CN2CCCCC[C@H]2c2ccccc2)nc1 ZINC000340660589 526012825 /nfs/dbraw/zinc/01/28/25/526012825.db2.gz LJRPYEVVSGVGPJ-KRWDZBQOSA-N 0 1 281.403 3.902 20 0 CHADMN Cc1cn[nH]c1CN(C)[C@H](C)c1nc2ccccc2s1 ZINC000290576297 526018573 /nfs/dbraw/zinc/01/85/73/526018573.db2.gz ZAKHGIWRFORNRH-LLVKDONJSA-N 0 1 286.404 3.521 20 0 CHADMN Cc1c[nH]nc1CN1CCC(c2c[nH]c3ccccc23)CC1 ZINC000290357158 526023668 /nfs/dbraw/zinc/02/36/68/526023668.db2.gz GGKHXBFQVSMZNK-UHFFFAOYSA-N 0 1 294.402 3.579 20 0 CHADMN COc1cccc(CNCc2cccs2)c1OC(F)F ZINC000035161371 526025654 /nfs/dbraw/zinc/02/56/54/526025654.db2.gz JKMWMPJBIACBNL-UHFFFAOYSA-N 0 1 299.342 3.648 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccc(Cl)cn2)c1 ZINC000274873649 526030684 /nfs/dbraw/zinc/03/06/84/526030684.db2.gz GFNJAFVXGNEPNX-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN Cc1c[nH]nc1CNCc1ccc(OC2CCCCC2)cc1 ZINC000289777638 526030914 /nfs/dbraw/zinc/03/09/14/526030914.db2.gz GWGLBYWLCWVUFI-UHFFFAOYSA-N 0 1 299.418 3.719 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](CC1CCC1)c1ccccc1 ZINC000289410231 526032321 /nfs/dbraw/zinc/03/23/21/526032321.db2.gz BLMKWHDOYYUAHC-INIZCTEOSA-N 0 1 269.392 3.739 20 0 CHADMN Cc1c[nH]nc1CN[C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000289671901 526034214 /nfs/dbraw/zinc/03/42/14/526034214.db2.gz ZQGCFQDFUBCUAA-HZPDHXFCSA-N 0 1 269.392 3.692 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(OC2CCCC2)cc1 ZINC000289714203 526035197 /nfs/dbraw/zinc/03/51/97/526035197.db2.gz CNDMJSYKHNADEN-UHFFFAOYSA-N 0 1 271.364 3.652 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N1CC[C@H](n2cccn2)C1 ZINC000291159711 526043176 /nfs/dbraw/zinc/04/31/76/526043176.db2.gz CFYPVJURMTVUCN-WFASDCNBSA-N 0 1 275.783 3.545 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262128272 526044436 /nfs/dbraw/zinc/04/44/36/526044436.db2.gz KJGSBDHQZLDJJC-DETPVDSQSA-N 0 1 293.794 3.588 20 0 CHADMN CSc1ccc([C@@H](C)NCc2cncc(F)c2)cc1 ZINC000337228957 526060028 /nfs/dbraw/zinc/06/00/28/526060028.db2.gz UKZLZFGEZSLJPB-LLVKDONJSA-N 0 1 276.380 3.793 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3Cc3ccncc3)[nH]c2c1 ZINC000289427733 526103363 /nfs/dbraw/zinc/10/33/63/526103363.db2.gz VIHFJTBJEJJSCD-KRWDZBQOSA-N 0 1 292.386 3.603 20 0 CHADMN C[C@@H](c1ccncc1)N(C)Cc1ccccc1OC1CC1 ZINC000290189513 526153242 /nfs/dbraw/zinc/15/32/42/526153242.db2.gz ZWMNQHTWUIRTOY-AWEZNQCLSA-N 0 1 282.387 3.816 20 0 CHADMN C[C@H](c1ccncc1)N(C)Cc1ccccc1OC1CC1 ZINC000290189517 526161389 /nfs/dbraw/zinc/16/13/89/526161389.db2.gz ZWMNQHTWUIRTOY-CQSZACIVSA-N 0 1 282.387 3.816 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@H](C2CC2)C1 ZINC000289482133 526175814 /nfs/dbraw/zinc/17/58/14/526175814.db2.gz RWBCMUASRKUJMF-OCCSQVGLSA-N 0 1 297.402 3.518 20 0 CHADMN C[C@@H](c1noc(-c2ccccc2)n1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000276567399 526192657 /nfs/dbraw/zinc/19/26/57/526192657.db2.gz MOGDLNCMRUNKME-AEGPPILISA-N 0 1 283.375 3.530 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H]1CCCc3ccc(O)cc31)CO2 ZINC000366069052 526212160 /nfs/dbraw/zinc/21/21/60/526212160.db2.gz QMTWSBVKARMILH-ZWKOTPCHSA-N 0 1 295.382 3.801 20 0 CHADMN Cc1cncc([C@H](C)NCc2ccc3c(n2)CCCC3)c1 ZINC000278411395 526217939 /nfs/dbraw/zinc/21/79/39/526217939.db2.gz HQYGMRICAATVEL-AWEZNQCLSA-N 0 1 281.403 3.515 20 0 CHADMN Cc1cc(C(=O)N(CC2CCC2)[C@H](C)c2ccccc2)n[nH]1 ZINC000156014666 526231270 /nfs/dbraw/zinc/23/12/70/526231270.db2.gz IDFPGNBABNPPBA-CQSZACIVSA-N 0 1 297.402 3.722 20 0 CHADMN Cc1ccc2ccccc2c1CN1CCC(=O)[C@@H](C)C1 ZINC000338566945 526240570 /nfs/dbraw/zinc/24/05/70/526240570.db2.gz VEJZTEIRPXTVTN-AWEZNQCLSA-N 0 1 267.372 3.559 20 0 CHADMN C=Cn1cc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cn1 ZINC000367174923 526281527 /nfs/dbraw/zinc/28/15/27/526281527.db2.gz UHGHCBYDPCESJL-CYBMUJFWSA-N 0 1 299.340 3.538 20 0 CHADMN Fc1ccc(CN(Cc2ccco2)C2CCCC2)nc1 ZINC000276344204 526329708 /nfs/dbraw/zinc/32/97/08/526329708.db2.gz IWULBBZBQYVDEX-UHFFFAOYSA-N 0 1 274.339 3.759 20 0 CHADMN Fc1ccc(CN(Cc2cnc[nH]2)C2CCCC2)c(F)c1 ZINC000280548923 526330236 /nfs/dbraw/zinc/33/02/36/526330236.db2.gz UDLZUDLQFGHDCO-UHFFFAOYSA-N 0 1 291.345 3.633 20 0 CHADMN Fc1ccc(CN[C@H](c2ccccc2)C2CCC2)nc1 ZINC000276220264 526341075 /nfs/dbraw/zinc/34/10/75/526341075.db2.gz LWTOUBOFMSMYGO-QGZVFWFLSA-N 0 1 270.351 3.852 20 0 CHADMN Fc1ccc(F)c(CN2CCC(c3ccccn3)CC2)c1 ZINC000363446483 526348090 /nfs/dbraw/zinc/34/80/90/526348090.db2.gz LDHOTPDFMKBUBX-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN Fc1ccc([C@@H](C[C@H]2CCOC2)NCc2ccoc2)cc1 ZINC000292253478 526360573 /nfs/dbraw/zinc/36/05/73/526360573.db2.gz SICVTJGYYAUOES-CXAGYDPISA-N 0 1 289.350 3.676 20 0 CHADMN Fc1ccc([C@@H](C[C@@H]2CCOC2)NCc2ccoc2)cc1 ZINC000292253488 526361004 /nfs/dbraw/zinc/36/10/04/526361004.db2.gz SICVTJGYYAUOES-SUMWQHHRSA-N 0 1 289.350 3.676 20 0 CHADMN Fc1ccc([C@H](NCc2ncc[nH]2)C2CCCC2)cc1 ZINC000067695680 526365599 /nfs/dbraw/zinc/36/55/99/526365599.db2.gz VDWKWIJZJGREOE-MRXNPFEDSA-N 0 1 273.355 3.570 20 0 CHADMN Oc1cccc2c1CC[C@H]2N[C@H]1CCCc2occc21 ZINC000036852583 526368306 /nfs/dbraw/zinc/36/83/06/526368306.db2.gz WSDKBFJIRAODAT-LSDHHAIUSA-N 0 1 269.344 3.640 20 0 CHADMN Cc1nnc([C@H](C)NC[C@H](C)c2cccc(Cl)c2)s1 ZINC000276270668 526404463 /nfs/dbraw/zinc/40/44/63/526404463.db2.gz QSPRMNHHGKCKQV-UWVGGRQHSA-N 0 1 295.839 3.954 20 0 CHADMN Fc1ccccc1-c1csc(CN[C@H]2CCSC2)n1 ZINC000279129600 526404773 /nfs/dbraw/zinc/40/47/73/526404773.db2.gz YBRSHUFAULVKRU-JTQLQIEISA-N 0 1 294.420 3.544 20 0 CHADMN c1cc(CN[C@H](c2ccccc2)C2CCCC2)on1 ZINC000264719626 526428181 /nfs/dbraw/zinc/42/81/81/526428181.db2.gz NABXYXDFAPXJFF-MRXNPFEDSA-N 0 1 256.349 3.696 20 0 CHADMN c1cc([C@H]2CCCCN2Cc2cccc3cc[nH]c32)n[nH]1 ZINC000289665067 526437223 /nfs/dbraw/zinc/43/72/23/526437223.db2.gz YUKFMMDMXZTZJJ-MRXNPFEDSA-N 0 1 280.375 3.618 20 0 CHADMN c1cc2c(o1)CCC[C@H]2NC1(c2ccccc2)CC1 ZINC000278655750 526444414 /nfs/dbraw/zinc/44/44/14/526444414.db2.gz IJIGDKDZARMZMI-OAHLLOKOSA-N 0 1 253.345 3.936 20 0 CHADMN c1ccc(-c2nc(CN3CCC[C@@H]3C3CCC3)no2)cc1 ZINC000102950084 526454493 /nfs/dbraw/zinc/45/44/93/526454493.db2.gz ADYGLKSJKYVJNA-OAHLLOKOSA-N 0 1 283.375 3.501 20 0 CHADMN CC(C)(C)OCCCCN1CCO[C@H](c2ccccc2)C1 ZINC000354833255 526550117 /nfs/dbraw/zinc/55/01/17/526550117.db2.gz IWQTWYHZXWFVPE-KRWDZBQOSA-N 0 1 291.435 3.655 20 0 CHADMN c1coc([C@H](N[C@H]2CCCSC2)c2ccccc2)c1 ZINC000061577622 526569851 /nfs/dbraw/zinc/56/98/51/526569851.db2.gz JKGLJIMSYLIPTH-GOEBONIOSA-N 0 1 273.401 3.854 20 0 CHADMN Cc1nocc1CN[C@@H]1CCc2ccc(C(C)C)cc21 ZINC000293221786 526696105 /nfs/dbraw/zinc/69/61/05/526696105.db2.gz JZRPKYBKZHPLBY-QGZVFWFLSA-N 0 1 270.376 3.884 20 0 CHADMN Cc1nc(C)c(CN[C@H](C)c2ccc(Cl)cn2)s1 ZINC000274970365 526724839 /nfs/dbraw/zinc/72/48/39/526724839.db2.gz YALLLJWKQCRIDG-MRVPVSSYSA-N 0 1 281.812 3.659 20 0 CHADMN Cc1nc(CN[C@H]2C[C@H](c3ccccc3F)C2)cs1 ZINC000280508844 526894104 /nfs/dbraw/zinc/89/41/04/526894104.db2.gz ACUUZXWLEULYFZ-HAQNSBGRSA-N 0 1 276.380 3.626 20 0 CHADMN Cc1nc(F)ccc1CN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000278783023 526943944 /nfs/dbraw/zinc/94/39/44/526943944.db2.gz VHLBFLJEXWDEOQ-LLVKDONJSA-N 0 1 290.304 3.692 20 0 CHADMN Cc1nc(F)ccc1CN(C)[C@H](C)c1ccc(F)cc1 ZINC000278468272 526944431 /nfs/dbraw/zinc/94/44/31/526944431.db2.gz QBFVWCBPTUZUGL-GFCCVEGCSA-N 0 1 276.330 3.861 20 0 CHADMN Cc1nc(F)ccc1CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000278468273 526945245 /nfs/dbraw/zinc/94/52/45/526945245.db2.gz QBFVWCBPTUZUGL-LBPRGKRZSA-N 0 1 276.330 3.861 20 0 CHADMN Clc1cccc(C2(NCc3cc[nH]n3)CCCC2)c1 ZINC000130454516 526974161 /nfs/dbraw/zinc/97/41/61/526974161.db2.gz SXUIUUIRXXXEJL-UHFFFAOYSA-N 0 1 275.783 3.622 20 0 CHADMN Cc1nc([C@H](C)N2C[C@H](c3ccccc3C)C[C@@H]2C)no1 ZINC000278547215 527059752 /nfs/dbraw/zinc/05/97/52/527059752.db2.gz GYFRIUZIZGHWMM-KCQAQPDRSA-N 0 1 285.391 3.625 20 0 CHADMN NC1(c2noc(-c3ccc4ccccc4c3)n2)CCCC1 ZINC000041153091 527132175 /nfs/dbraw/zinc/13/21/75/527132175.db2.gz ZUCQWLFPROEVOL-UHFFFAOYSA-N 0 1 279.343 3.618 20 0 CHADMN Cc1ncc(CN2CCC[C@@H]2c2ccc(F)cc2)s1 ZINC000098132292 527255633 /nfs/dbraw/zinc/25/56/33/527255633.db2.gz SYJRPVYITGGFDV-OAHLLOKOSA-N 0 1 276.380 3.928 20 0 CHADMN Cc1ncc(CNCc2ccccc2C(F)(F)F)s1 ZINC000040997310 527273581 /nfs/dbraw/zinc/27/35/81/527273581.db2.gz ZCZQHJNIDNHQEU-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN O=C(Nc1cccc2ccsc21)c1ccc2cncn2c1 ZINC000339959044 527386244 /nfs/dbraw/zinc/38/62/44/527386244.db2.gz DIRMYBJRNXHNNF-UHFFFAOYSA-N 0 1 293.351 3.801 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H]1CCCc2sccc21 ZINC000188476404 527455102 /nfs/dbraw/zinc/45/51/02/527455102.db2.gz JYEWFTABGSDBSX-DGCLKSJQSA-N 0 1 273.405 3.575 20 0 CHADMN Cc1ncsc1CN(C)Cc1ccc(OC(C)C)cc1 ZINC000066562573 527497397 /nfs/dbraw/zinc/49/73/97/527497397.db2.gz CSNUMLPOUAQYMQ-UHFFFAOYSA-N 0 1 290.432 3.871 20 0 CHADMN Cc1ncsc1CN[C@H](C)c1ccccc1OC(F)F ZINC000071212518 527512329 /nfs/dbraw/zinc/51/23/29/527512329.db2.gz GATJDPWZDCOLSU-SECBINFHSA-N 0 1 298.358 3.904 20 0 CHADMN OCCCCCN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000265223222 527534938 /nfs/dbraw/zinc/53/49/38/527534938.db2.gz HHPKYUNSTQROBI-HNNXBMFYSA-N 0 1 299.867 3.593 20 0 CHADMN Cc1nn(-c2ccccc2)cc1CNCc1ccsc1C ZINC000339347272 527562249 /nfs/dbraw/zinc/56/22/49/527562249.db2.gz WTNGTMCJWYKGJA-UHFFFAOYSA-N 0 1 297.427 3.840 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000050924969 527596589 /nfs/dbraw/zinc/59/65/89/527596589.db2.gz UZMORWAUSMGDQH-AWEZNQCLSA-N 0 1 281.783 3.559 20 0 CHADMN Cn1nccc1[C@@H]1CCCCN1Cc1ccc2c(c1)CCC2 ZINC000337284724 527623335 /nfs/dbraw/zinc/62/33/35/527623335.db2.gz JQBGIONKHKOPIN-IBGZPJMESA-N 0 1 295.430 3.636 20 0 CHADMN FC(F)(F)CCN1CCSC[C@@H]1c1ccccc1 ZINC000265867994 527665973 /nfs/dbraw/zinc/66/59/73/527665973.db2.gz UXMGORJCKIFADK-GFCCVEGCSA-N 0 1 275.339 3.729 20 0 CHADMN FC(F)(F)c1ccc(CSc2nc(C3CC3)n[nH]2)cc1 ZINC000012992362 527682703 /nfs/dbraw/zinc/68/27/03/527682703.db2.gz QUXVJJQOMBVVMI-UHFFFAOYSA-N 0 1 299.321 3.993 20 0 CHADMN FC(F)(F)c1ccc(CSc2n[nH]c(C3CC3)n2)cc1 ZINC000012992362 527682707 /nfs/dbraw/zinc/68/27/07/527682707.db2.gz QUXVJJQOMBVVMI-UHFFFAOYSA-N 0 1 299.321 3.993 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@@H]1CCSc2ccccc21 ZINC000087408573 527697303 /nfs/dbraw/zinc/69/73/03/527697303.db2.gz SLLOBOINYPWSQX-IAQYHMDHSA-N 0 1 287.432 3.616 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000087408188 527699846 /nfs/dbraw/zinc/69/98/46/527699846.db2.gz JQKCCRNNRBDJQE-AAEUAGOBSA-N 0 1 283.375 3.887 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000087408191 527700170 /nfs/dbraw/zinc/70/01/70/527700170.db2.gz JQKCCRNNRBDJQE-WCQYABFASA-N 0 1 283.375 3.887 20 0 CHADMN CC(C)[C@H]1CCCC[C@H]1N[C@@H](C)c1nc(C2CC2)no1 ZINC000331549774 527764669 /nfs/dbraw/zinc/76/46/69/527764669.db2.gz RPQYGDMQAPTTTP-IACUBPJLSA-N 0 1 277.412 3.812 20 0 CHADMN CC(C)CCn1cccc1CN1CCC[C@H]2COCC[C@@H]21 ZINC000355101002 527886033 /nfs/dbraw/zinc/88/60/33/527886033.db2.gz BRZNXJUYUSESTR-WMZOPIPTSA-N 0 1 290.451 3.535 20 0 CHADMN CC(C)c1cnc(CN2CCC3(CCOCC3)[C@@H]2C)s1 ZINC000334143422 528214785 /nfs/dbraw/zinc/21/47/85/528214785.db2.gz QNVMNEVKSLNCKM-ZDUSSCGKSA-N 0 1 294.464 3.658 20 0 CHADMN CC(C)c1cnc(CNCCSCC(F)(F)F)s1 ZINC000344329722 528216103 /nfs/dbraw/zinc/21/61/03/528216103.db2.gz NIAFBHHCVLZSIW-UHFFFAOYSA-N 0 1 298.399 3.652 20 0 CHADMN CCC[C@]1(NCc2csc(C3CCCC3)n2)CCOC1 ZINC000352832008 528530610 /nfs/dbraw/zinc/53/06/10/528530610.db2.gz NMUOSGPDFFHHRU-INIZCTEOSA-N 0 1 294.464 3.850 20 0 CHADMN CC(C)Cc1ccc(CNCc2ncccc2N(C)C)cc1 ZINC000353246223 528649320 /nfs/dbraw/zinc/64/93/20/528649320.db2.gz ZDIXFCBAQMIUQP-UHFFFAOYSA-N 0 1 297.446 3.636 20 0 CHADMN CCCc1csc(CN2CC[C@H](CC3CC3)C2)n1 ZINC000354530077 528666094 /nfs/dbraw/zinc/66/60/94/528666094.db2.gz UXHCMYDOCUXLKH-CYBMUJFWSA-N 0 1 264.438 3.718 20 0 CHADMN CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C1CCC1 ZINC000353818446 528885484 /nfs/dbraw/zinc/88/54/84/528885484.db2.gz HQOHMSHQRCNDMZ-NSHDSACASA-N 0 1 264.438 3.642 20 0 CHADMN CCN(Cc1nc2c(s1)C[C@H](C)CC2)C1CCC1 ZINC000353818445 528887123 /nfs/dbraw/zinc/88/71/23/528887123.db2.gz HQOHMSHQRCNDMZ-LLVKDONJSA-N 0 1 264.438 3.642 20 0 CHADMN CCC1(CC)CCCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000347933840 529044563 /nfs/dbraw/zinc/04/45/63/529044563.db2.gz ZYNLPEWTDBUUST-UHFFFAOYSA-N 0 1 299.418 3.995 20 0 CHADMN CC1(C)CN(Cc2cnc3ccccc3c2)[C@H]2CCC[C@H]2O1 ZINC000347186549 529124736 /nfs/dbraw/zinc/12/47/36/529124736.db2.gz OEXIPIMUGUHVOZ-ZWKOTPCHSA-N 0 1 296.414 3.767 20 0 CHADMN CC[C@@H](NCc1cc(F)ccc1F)c1ccncc1 ZINC000344586459 529181862 /nfs/dbraw/zinc/18/18/62/529181862.db2.gz PCVUMIUXOXXHDI-OAHLLOKOSA-N 0 1 262.303 3.601 20 0 CHADMN CC[C@@H](NCc1ccc(OC)c(F)c1)c1ccc(F)cn1 ZINC000352719519 529184429 /nfs/dbraw/zinc/18/44/29/529184429.db2.gz HLMWZAXAOODROW-CQSZACIVSA-N 0 1 292.329 3.609 20 0 CHADMN CC[C@H](c1ccccc1OC)N(C)Cc1cncc(C)c1 ZINC000347569615 529185010 /nfs/dbraw/zinc/18/50/10/529185010.db2.gz YYAUPGOTIBSRDP-QGZVFWFLSA-N 0 1 284.403 3.982 20 0 CHADMN CC[C@@H](N[C@@H](c1nccn1C)C1CC1)c1cccc(F)c1 ZINC000353859417 529202701 /nfs/dbraw/zinc/20/27/01/529202701.db2.gz WNPCDINTBSIJGF-HZPDHXFCSA-N 0 1 287.382 3.751 20 0 CHADMN CC[C@@H](C)CCC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000354564857 529310751 /nfs/dbraw/zinc/31/07/51/529310751.db2.gz SOLJXMHCETUVDX-SNVBAGLBSA-N 0 1 259.353 3.636 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccc(Cl)cc1Cl ZINC000037596002 600218790 /nfs/dbraw/zinc/21/87/90/600218790.db2.gz YLIUBBISPQXNFF-UHFFFAOYSA-N 0 1 290.190 3.679 20 0 CHADMN CCCC[N@@H+](C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000211625419 599810102 /nfs/dbraw/zinc/81/01/02/599810102.db2.gz ZTEXBONZCHVVOX-LBPRGKRZSA-N 0 1 290.190 3.851 20 0 CHADMN Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000573928121 599848242 /nfs/dbraw/zinc/84/82/42/599848242.db2.gz VXJDLMLSAOLFDR-INIZCTEOSA-N 0 1 285.343 3.623 20 0 CHADMN CCC[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccc(C)cc1 ZINC000737020406 599888415 /nfs/dbraw/zinc/88/84/15/599888415.db2.gz ZGMMRQLGBRDAQL-UHFFFAOYSA-N 0 1 287.359 3.698 20 0 CHADMN C[N@@H+](Cc1ccc(F)cc1C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000568060299 600083150 /nfs/dbraw/zinc/08/31/50/600083150.db2.gz AFYHXOHEOKLGEJ-QGZVFWFLSA-N 0 1 299.345 3.643 20 0 CHADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000071264929 600088386 /nfs/dbraw/zinc/08/83/86/600088386.db2.gz XLZJRWXIDDJCOI-INIZCTEOSA-N 0 1 291.366 3.679 20 0 CHADMN Cc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)c2ccc(C(=O)[O-])o2)o1 ZINC000565104037 600217917 /nfs/dbraw/zinc/21/79/17/600217917.db2.gz MFEJOIBFNVBHGD-NWDGAFQWSA-N 0 1 289.331 3.777 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1csc2ccccc12 ZINC000111312611 600222819 /nfs/dbraw/zinc/22/28/19/600222819.db2.gz DIOIAYYQPOHXRQ-UHFFFAOYSA-N 0 1 277.389 3.586 20 0 CHADMN CC[N@@H+](CCCC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000116369449 600226205 /nfs/dbraw/zinc/22/62/05/600226205.db2.gz JISUHGNUUAYNGD-LBPRGKRZSA-N 0 1 275.348 3.681 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCCC3(CCCCC3)C2)c1 ZINC000580085219 600338147 /nfs/dbraw/zinc/33/81/47/600338147.db2.gz NZEMSJQQNNCKJW-UHFFFAOYSA-N 0 1 277.364 3.524 20 0 CHADMN C[C@H](C[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000519545018 600404479 /nfs/dbraw/zinc/40/44/79/600404479.db2.gz KFBGLQWJVOOHGJ-RHSMWYFYSA-N 0 1 283.371 3.548 20 0 CHADMN C[C@H]([NH2+][C@@H](C(=O)[O-])c1cccc(Cl)c1)c1cccs1 ZINC000143444004 600417054 /nfs/dbraw/zinc/41/70/54/600417054.db2.gz BTESZYKAJLLRDN-TVQRCGJNSA-N 0 1 295.791 3.878 20 0 CHADMN Cc1cccc(C)c1C[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000692414059 600431142 /nfs/dbraw/zinc/43/11/42/600431142.db2.gz FKYUHTSPKUJWBS-UHFFFAOYSA-N 0 1 297.398 3.780 20 0 CHADMN Cc1cccc(C)c1C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000156915252 600431274 /nfs/dbraw/zinc/43/12/74/600431274.db2.gz YCSUQCFKBFSVQP-UHFFFAOYSA-N 0 1 281.355 3.517 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2occc2C(=O)[O-])C1 ZINC000565106275 600432237 /nfs/dbraw/zinc/43/22/37/600432237.db2.gz OXZWYXXLDLLMPG-ZIAGYGMSSA-N 0 1 299.370 3.664 20 0 CHADMN CCS[C@@H]1CCCC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000571810291 600433896 /nfs/dbraw/zinc/43/38/96/600433896.db2.gz BXZGHAGOIIEARW-VXGBXAGGSA-N 0 1 297.420 3.646 20 0 CHADMN CCS[C@@H]1CCCC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000571810286 600433908 /nfs/dbraw/zinc/43/39/08/600433908.db2.gz BXZGHAGOIIEARW-NWDGAFQWSA-N 0 1 297.420 3.646 20 0 CHADMN C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC000736716624 600556311 /nfs/dbraw/zinc/55/63/11/600556311.db2.gz IASHBZWKZBZPOI-LBPRGKRZSA-N 0 1 287.334 3.717 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000519637591 600629709 /nfs/dbraw/zinc/62/97/09/600629709.db2.gz DFGPFPFOPBTXND-BLLLJJGKSA-N 0 1 299.370 3.664 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CCCC(=O)[O-] ZINC000173991387 600838774 /nfs/dbraw/zinc/83/87/74/600838774.db2.gz RYUHCOAZVVKQTF-INIZCTEOSA-N 0 1 277.408 3.503 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CCCC(=O)[O-] ZINC000173991399 600838837 /nfs/dbraw/zinc/83/88/37/600838837.db2.gz RYUHCOAZVVKQTF-MRXNPFEDSA-N 0 1 277.408 3.503 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCCC2(C1)CCCCCC2 ZINC000566362359 600847804 /nfs/dbraw/zinc/84/78/04/600847804.db2.gz SKEITYNJRPRTAO-UHFFFAOYSA-N 0 1 291.391 3.914 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])o2)[C@H](c2ccco2)C1 ZINC000579842960 600862129 /nfs/dbraw/zinc/86/21/29/600862129.db2.gz SPVSNPPXXCGIQA-YPMHNXCESA-N 0 1 289.331 3.544 20 0 CHADMN Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cc(C(=O)[O-])co2)o1 ZINC000738582997 600968634 /nfs/dbraw/zinc/96/86/34/600968634.db2.gz MLXZKZVCDORNJA-AWEZNQCLSA-N 0 1 289.331 3.606 20 0 CHADMN Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cc(C(=O)[O-])co2)o1 ZINC000738582997 600968638 /nfs/dbraw/zinc/96/86/38/600968638.db2.gz MLXZKZVCDORNJA-AWEZNQCLSA-N 0 1 289.331 3.606 20 0 CHADMN Cc1ccc([C@H]2CCCC[N@H+]2Cc2ccoc2C(=O)[O-])o1 ZINC000738581899 600968911 /nfs/dbraw/zinc/96/89/11/600968911.db2.gz GAPXRMGWNNSTIA-CYBMUJFWSA-N 0 1 289.331 3.606 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000583939802 600988149 /nfs/dbraw/zinc/98/81/49/600988149.db2.gz DAOHIDFPTLLJDG-OLZOCXBDSA-N 0 1 267.394 3.528 20 0 CHADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])oc1C ZINC000573975301 601024908 /nfs/dbraw/zinc/02/49/08/601024908.db2.gz MNVAZWYUONIBDG-FZMZJTMJSA-N 0 1 279.380 3.687 20 0 CHADMN CC[C@]1(C)CCC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000578660751 601036290 /nfs/dbraw/zinc/03/62/90/601036290.db2.gz TVRBFJYNFWJPMQ-XHDPSFHLSA-N 0 1 265.353 3.551 20 0 CHADMN C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2ccccc2)[C@@H]1c1ccccc1 ZINC000828410719 601044586 /nfs/dbraw/zinc/04/45/86/601044586.db2.gz CAPPDWIWKJUMTP-COXVUDFISA-N 0 1 281.355 3.505 20 0 CHADMN C/C(=C/C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000825741229 601155339 /nfs/dbraw/zinc/15/53/39/601155339.db2.gz KLUSWYKEVPZPAW-KOTGUFOOSA-N 0 1 279.767 3.508 20 0 CHADMN C/C(=C\C[N@H+]1CCCCC[C@H]1c1ccccc1)C(=O)[O-] ZINC000825742232 601157963 /nfs/dbraw/zinc/15/79/63/601157963.db2.gz XCYHQMBMKYTLAG-UKYUDJEDSA-N 0 1 273.376 3.635 20 0 CHADMN C/C(=C\C[N@@H+](C1CC1)C1CC(c2ccccc2C)C1)C(=O)[O-] ZINC000825730352 601175915 /nfs/dbraw/zinc/17/59/15/601175915.db2.gz VGSROXRORSDMRY-NTEUORMPSA-N 0 1 299.414 3.736 20 0 CHADMN C[C@H]([NH2+][C@H](C(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000315454723 601457408 /nfs/dbraw/zinc/45/74/08/601457408.db2.gz OWOJCAVOSBVYBM-SJCJKPOMSA-N 0 1 295.338 3.909 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000833032424 601649438 /nfs/dbraw/zinc/64/94/38/601649438.db2.gz ZSRFVFKRVBFRBS-JTQLQIEISA-N 0 1 287.384 3.832 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000833032424 601649439 /nfs/dbraw/zinc/64/94/39/601649439.db2.gz ZSRFVFKRVBFRBS-JTQLQIEISA-N 0 1 287.384 3.832 20 0 CHADMN C[N@@H+](Cc1ccsc1C(=O)[O-])Cc1ccc(Cl)cc1 ZINC000110955747 601804269 /nfs/dbraw/zinc/80/42/69/601804269.db2.gz KJOYIQSBBKFMPW-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000828527381 601952276 /nfs/dbraw/zinc/95/22/76/601952276.db2.gz JQYIKWQUBWWDMS-LLVKDONJSA-N 0 1 287.384 3.566 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)s1 ZINC000578660777 601954378 /nfs/dbraw/zinc/95/43/78/601954378.db2.gz UXQDCBFIFMGLPM-INIZCTEOSA-N 0 1 291.416 3.769 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])s2)[C@H]1c1ccccc1 ZINC000828455672 601959355 /nfs/dbraw/zinc/95/93/55/601959355.db2.gz DZVXRSPYMUARNK-IAQYHMDHSA-N 0 1 287.384 3.639 20 0 CHADMN CC[C@H](Nc1ccc([N@@H+]2CCCC[C@@H]2C)cc1C)C(=O)[O-] ZINC000828999118 602099407 /nfs/dbraw/zinc/09/94/07/602099407.db2.gz QTULPYSARNEAJO-ZFWWWQNUSA-N 0 1 290.407 3.649 20 0 CHADMN CC[C@H](Nc1ccc([N@H+]2CCCC[C@@H]2C)cc1C)C(=O)[O-] ZINC000828999118 602099411 /nfs/dbraw/zinc/09/94/11/602099411.db2.gz QTULPYSARNEAJO-ZFWWWQNUSA-N 0 1 290.407 3.649 20 0 CHADMN C[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000833691825 604541007 /nfs/dbraw/zinc/54/10/07/604541007.db2.gz IAOFPTIKPIKNLK-UHFFFAOYSA-N 0 1 295.791 3.585 20 0 CHADMN C/C(=C\c1ccccc1)C[N@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000833387342 604629443 /nfs/dbraw/zinc/62/94/43/604629443.db2.gz ZVXUODIYUACGPH-JLHYYAGUSA-N 0 1 285.343 3.513 20 0 CHADMN CCCCC[C@H]1CCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000829346623 604677476 /nfs/dbraw/zinc/67/74/76/604677476.db2.gz BMHPEXCNPRLECH-ZDUSSCGKSA-N 0 1 265.353 3.523 20 0 CHADMN CC(C)c1ccc([C@H]2CCC[N@H+]2CCCC(=O)[O-])cc1 ZINC000833510132 604781091 /nfs/dbraw/zinc/78/10/91/604781091.db2.gz MGLRHXLFXPOUHX-MRXNPFEDSA-N 0 1 275.392 3.812 20 0 CHADMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1ccccc1CC(=O)[O-])C1CC1 ZINC000833638095 605068274 /nfs/dbraw/zinc/06/82/74/605068274.db2.gz JNQULRVVPHIBED-KGLIPLIRSA-N 0 1 289.419 3.713 20 0 CHADMN C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000062015319 948948927 /nfs/dbraw/zinc/94/89/27/948948927.db2.gz XLIVYETUEOKVHT-LBPRGKRZSA-N 0 1 287.334 3.717 20 0 CHADMN Cc1cccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)c1C ZINC000086724998 949059623 /nfs/dbraw/zinc/05/96/23/949059623.db2.gz CFYGNVSGPWWDSV-UHFFFAOYSA-N 0 1 283.371 3.634 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC001589605183 949241469 /nfs/dbraw/zinc/24/14/69/949241469.db2.gz LZSMPTNRGPGRTE-ZOBUZTSGSA-N 0 1 279.424 3.556 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000164692513 949416338 /nfs/dbraw/zinc/41/63/38/949416338.db2.gz YDSXIDOVDKYVQK-NSHDSACASA-N 0 1 299.773 3.556 20 0 CHADMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1nc(C(C)(C)C)no1)C1CC1 ZINC000104966307 1125457453 /nfs/dbraw/zinc/45/74/53/1125457453.db2.gz DJGDPNBRUFKRBN-NEPJUHHUSA-N 0 1 279.428 3.766 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1nc(C(C)(C)C)no1)C1CC1 ZINC000104966307 1125457455 /nfs/dbraw/zinc/45/74/55/1125457455.db2.gz DJGDPNBRUFKRBN-NEPJUHHUSA-N 0 1 279.428 3.766 20 0 CHADMN CC[N@@H+](CCC1(C(=O)[O-])CCC1)[C@H]1CCCC[C@@H]1C ZINC001589730694 950503900 /nfs/dbraw/zinc/50/39/00/950503900.db2.gz QFPJZSAKFULHJV-KBPBESRZSA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CCC1=CCCCC1 ZINC000395307851 951465265 /nfs/dbraw/zinc/46/52/65/951465265.db2.gz FIKUFDOHWUTBBS-OAHLLOKOSA-N 0 1 265.397 3.596 20 0 CHADMN C[N@@H+](Cc1cccc(C(=O)[O-])c1Cl)CC(C)(C)C ZINC000382040232 971797366 /nfs/dbraw/zinc/79/73/66/971797366.db2.gz DGMJWIPZCRQCIO-UHFFFAOYSA-N 0 1 269.772 3.516 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC000556919475 953585949 /nfs/dbraw/zinc/58/59/49/953585949.db2.gz XFSBJWMVXIHWKK-HNNXBMFYSA-N 0 1 287.403 3.641 20 0 CHADMN CC(C)[C@H](C[N@H+]1CCC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000563943417 953602024 /nfs/dbraw/zinc/60/20/24/953602024.db2.gz DTWZVXHHFJTOFS-RDJZCZTQSA-N 0 1 289.419 3.613 20 0 CHADMN C[N@@H+](Cc1ccccc1-c1ccccc1)[C@@H](C(=O)[O-])C1CC1 ZINC000584844631 953733818 /nfs/dbraw/zinc/73/38/18/953733818.db2.gz GXOYGSBYQJXTKC-GOSISDBHSA-N 0 1 295.382 3.649 20 0 CHADMN CCc1ccc(CN2CCC(CC(F)(F)F)CC2)cn1 ZINC000348282580 1125462006 /nfs/dbraw/zinc/46/20/06/1125462006.db2.gz SHBAYSHLYURXLO-UHFFFAOYSA-N 0 1 286.341 3.808 20 0 CHADMN C[C@@H](NC[C@]1(C)CC1(Cl)Cl)c1c(F)cncc1F ZINC000829768793 1131433021 /nfs/dbraw/zinc/43/30/21/1131433021.db2.gz ZVBPMLAIRVLODT-HQJQHLMTSA-N 0 1 295.160 3.594 20 0 CHADMN CCCN1Cc2cccc(NC(=O)C3=CCCCC3)c2C1 ZINC000127834401 1125462971 /nfs/dbraw/zinc/46/29/71/1125462971.db2.gz AHKDGQMZVGEHIB-UHFFFAOYSA-N 0 1 284.403 3.851 20 0 CHADMN CC(C)[N@@H+](CCC1(C(=O)[O-])CCC1)C1CCCCC1 ZINC001603065464 972129726 /nfs/dbraw/zinc/12/97/26/972129726.db2.gz BXRJRZUCDGXVHY-UHFFFAOYSA-N 0 1 267.413 3.675 20 0 CHADMN CCc1ccc2ccccc2c1C[N@H+](C)[C@H](CC)C(=O)[O-] ZINC000903408137 956834470 /nfs/dbraw/zinc/83/44/70/956834470.db2.gz DUQMAJQNGFYKHE-QGZVFWFLSA-N 0 1 285.387 3.697 20 0 CHADMN CC(C)c1ccccc1C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000903702978 956895954 /nfs/dbraw/zinc/89/59/54/956895954.db2.gz NVKAMSRMVZFODS-OAHLLOKOSA-N 0 1 275.392 3.639 20 0 CHADMN C[C@@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)[C@H]1c1ccccc1 ZINC000903706849 956902462 /nfs/dbraw/zinc/90/24/62/956902462.db2.gz HAXAQWKKJYRKDN-GDBMZVCRSA-N 0 1 287.403 3.715 20 0 CHADMN CCCCC[N@@H+](Cc1cc(C(=O)[O-])c(C)o1)C(C)C ZINC000042557871 957421294 /nfs/dbraw/zinc/42/12/94/957421294.db2.gz FUHRIEAWDLYIFU-UHFFFAOYSA-N 0 1 267.369 3.687 20 0 CHADMN O=C([O-])[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccccc1 ZINC000061329328 957579544 /nfs/dbraw/zinc/57/95/44/957579544.db2.gz KBCUQXZEPDNLKY-UKRRQHHQSA-N 0 1 287.384 3.541 20 0 CHADMN CCCCC[N@@H+](Cc1ccc(C(=O)[O-])cc1F)C(C)C ZINC000062754810 957609876 /nfs/dbraw/zinc/60/98/76/957609876.db2.gz WTAUWVUHCHSTOE-UHFFFAOYSA-N 0 1 281.371 3.925 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+](C)Cc1ccccc1Cl ZINC000091780936 958151800 /nfs/dbraw/zinc/15/18/00/958151800.db2.gz CRHKTSVZIZMRAC-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)Cc1ccccc1Cl ZINC000091780936 958151810 /nfs/dbraw/zinc/15/18/10/958151810.db2.gz CRHKTSVZIZMRAC-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cccc2ccoc21 ZINC001353916517 958162345 /nfs/dbraw/zinc/16/23/45/958162345.db2.gz UXAMHVCKAKLZGY-OAHLLOKOSA-N 0 1 287.359 3.652 20 0 CHADMN CC(C)CC[N@@H+](CC1(CC(=O)[O-])CC1)C1CCCC1 ZINC000094853420 958316085 /nfs/dbraw/zinc/31/60/85/958316085.db2.gz YAUARSNIJKEIMG-UHFFFAOYSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)C[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CCCC1 ZINC000094849730 958316736 /nfs/dbraw/zinc/31/67/36/958316736.db2.gz MDMFGSCQYYEXQG-UHFFFAOYSA-N 0 1 275.392 3.785 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000110955573 958403061 /nfs/dbraw/zinc/40/30/61/958403061.db2.gz NINACYLDHMAMDG-AAEUAGOBSA-N 0 1 279.405 3.601 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000122753545 958486282 /nfs/dbraw/zinc/48/62/82/958486282.db2.gz ULGVMWSSEBVBGD-CQSZACIVSA-N 0 1 293.432 3.909 20 0 CHADMN CCCCN(CC)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000046514126 1125468296 /nfs/dbraw/zinc/46/82/96/1125468296.db2.gz ZITPWJATHSLBOZ-UHFFFAOYSA-N 0 1 273.380 3.667 20 0 CHADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CC1CCC(C(C)(C)C)CC1 ZINC000130304219 958729083 /nfs/dbraw/zinc/72/90/83/958729083.db2.gz WVSSQMXNPKXDDE-XSCHDIRWSA-N 0 1 281.440 3.634 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135044431 958881681 /nfs/dbraw/zinc/88/16/81/958881681.db2.gz JXOQCKABDACCRK-JKSUJKDBSA-N 0 1 289.419 3.961 20 0 CHADMN Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135050697 958881790 /nfs/dbraw/zinc/88/17/90/958881790.db2.gz YXKDMDIEQKNWIU-GJZGRUSLSA-N 0 1 289.419 3.879 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c(C)c1 ZINC000135052283 958882908 /nfs/dbraw/zinc/88/29/08/958882908.db2.gz QLUFGSXFZAXTLT-INIZCTEOSA-N 0 1 289.419 3.626 20 0 CHADMN Cc1[nH+]c(N[C@@H](C)c2ccccc2Cl)ccc1C(=O)[O-] ZINC000147501616 959002446 /nfs/dbraw/zinc/00/24/46/959002446.db2.gz NDIFQVIRLPSFTQ-VIFPVBQESA-N 0 1 290.750 3.915 20 0 CHADMN CCC1CCC([N@@H+](CCCCC(=O)[O-])C2CC2)CC1 ZINC000181547062 959438438 /nfs/dbraw/zinc/43/84/38/959438438.db2.gz SXZGZDLBVDCQJB-UHFFFAOYSA-N 0 1 267.413 3.675 20 0 CHADMN CC(C)CC[C@H]1CCCC[N@H+]1CCCCC(=O)[O-] ZINC000181576376 959440746 /nfs/dbraw/zinc/44/07/46/959440746.db2.gz MHQHXDLYWIRRQA-CQSZACIVSA-N 0 1 255.402 3.532 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)C1CCC(C)(C)CC1 ZINC000234282255 960347098 /nfs/dbraw/zinc/34/70/98/960347098.db2.gz KNVQNXAPLVJCBZ-UHFFFAOYSA-N 0 1 293.382 3.925 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[NH2+][C@H](C)c1ccccc1Cl ZINC000235191130 960395972 /nfs/dbraw/zinc/39/59/72/960395972.db2.gz SKWXFBSYKLRPCY-SECBINFHSA-N 0 1 293.750 3.790 20 0 CHADMN Cc1ccc2nc(SCC[C@H]3CCCO3)[nH]c2c1 ZINC000188737053 1125472333 /nfs/dbraw/zinc/47/23/33/1125472333.db2.gz KMJBYAOYYXNNEV-LLVKDONJSA-N 0 1 262.378 3.533 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2cscc2Cl)n[nH]1 ZINC000683078203 1117751077 /nfs/dbraw/zinc/75/10/77/1117751077.db2.gz CEYPLCXWBSDURG-DTWKUNHWSA-N 0 1 298.843 3.884 20 0 CHADMN CC1(C)CC[C@H]1NCc1c(F)c(F)cc(F)c1F ZINC000671297984 1117813957 /nfs/dbraw/zinc/81/39/57/1117813957.db2.gz IUXFTGQSVDCNTN-SNVBAGLBSA-N 0 1 261.262 3.521 20 0 CHADMN CC(C)CCN(CCC(C)C)Cc1nc(C2CC2)no1 ZINC000045003877 1117831894 /nfs/dbraw/zinc/83/18/94/1117831894.db2.gz AWPXYTAZCLAEKH-UHFFFAOYSA-N 0 1 279.428 3.841 20 0 CHADMN Cc1cccc(CSc2nc(C(C)(C)C)n[nH]2)c1 ZINC000623332199 1117832160 /nfs/dbraw/zinc/83/21/60/1117832160.db2.gz SXVPKKJLKKXYEW-UHFFFAOYSA-N 0 1 261.394 3.703 20 0 CHADMN Cc1cccc(CSc2n[nH]c(C(C)(C)C)n2)c1 ZINC000623332199 1117832166 /nfs/dbraw/zinc/83/21/66/1117832166.db2.gz SXVPKKJLKKXYEW-UHFFFAOYSA-N 0 1 261.394 3.703 20 0 CHADMN Cc1nnc([C@H](C)[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)o1 ZINC000129807444 1125478391 /nfs/dbraw/zinc/47/83/91/1125478391.db2.gz DQPSLPQZHDZUSQ-WWGRRREGSA-N 0 1 285.391 3.565 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@H](c3ccccc3)[C@H](C)C2)o1 ZINC000129807444 1125478393 /nfs/dbraw/zinc/47/83/93/1125478393.db2.gz DQPSLPQZHDZUSQ-WWGRRREGSA-N 0 1 285.391 3.565 20 0 CHADMN c1sc(C2CC2)nc1CN[C@H]1CC12CCCCC2 ZINC000623568249 1117874575 /nfs/dbraw/zinc/87/45/75/1117874575.db2.gz VDUMOWDHIZNJRN-ZDUSSCGKSA-N 0 1 262.422 3.833 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1nc(C(C)(C)C)cs1 ZINC000133601583 1125480541 /nfs/dbraw/zinc/48/05/41/1125480541.db2.gz JSTRZWVWBMZLHW-MRVPVSSYSA-N 0 1 280.359 3.871 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@H](c3ccc(Cl)cc3)C2)o1 ZINC000111305490 1125482285 /nfs/dbraw/zinc/48/22/85/1125482285.db2.gz RVYPXAXOTOCJAO-GWCFXTLKSA-N 0 1 291.782 3.582 20 0 CHADMN CCc1cccc(CN[C@H]2c3ccccc3O[C@@H]2C)c1 ZINC001202647881 1125484724 /nfs/dbraw/zinc/48/47/24/1125484724.db2.gz YGVQOQJRQVAQHT-FZKQIMNGSA-N 0 1 267.372 3.861 20 0 CHADMN O=C([O-])c1cccc2c1CC[N@H+]([C@H]1C=CCCCCC1)C2 ZINC000313928756 963692558 /nfs/dbraw/zinc/69/25/58/963692558.db2.gz ZKAKOTSXOYGJSS-HNNXBMFYSA-N 0 1 285.387 3.632 20 0 CHADMN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000314630257 963780819 /nfs/dbraw/zinc/78/08/19/963780819.db2.gz ISTSMGAHQWJVDW-WDEREUQCSA-N 0 1 290.388 3.562 20 0 CHADMN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000314630255 963780952 /nfs/dbraw/zinc/78/09/52/963780952.db2.gz ISTSMGAHQWJVDW-MNOVXSKESA-N 0 1 290.388 3.562 20 0 CHADMN Cc1cccc(C)c1C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000316886115 964067492 /nfs/dbraw/zinc/06/74/92/964067492.db2.gz WUQDOPATQLUOSA-UHFFFAOYSA-N 0 1 295.382 3.560 20 0 CHADMN CCc1n[nH]c(SCCSc2ccc(Cl)cc2)n1 ZINC000073368418 1118009799 /nfs/dbraw/zinc/00/97/99/1118009799.db2.gz OJQZXERFHSPPMX-UHFFFAOYSA-N 0 1 299.852 3.905 20 0 CHADMN Cc1ncc(CN[C@H](C)c2cc(C)c(C)cc2C)o1 ZINC000398077588 1118079419 /nfs/dbraw/zinc/07/94/19/1118079419.db2.gz QGBJCPTYWBDTML-CYBMUJFWSA-N 0 1 258.365 3.759 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1C[C@@H]1CC2CCC1CC2 ZINC000691670585 968908913 /nfs/dbraw/zinc/90/89/13/968908913.db2.gz DGENFLQRHFVTOO-CKUJCDMFSA-N 0 1 279.424 3.532 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCCC3(CCCC3)CC2)CCC1 ZINC000903703250 969593552 /nfs/dbraw/zinc/59/35/52/969593552.db2.gz WKFOVPWNOKFGIL-UHFFFAOYSA-N 0 1 279.424 3.678 20 0 CHADMN C[C@]1(c2ccccc2)CCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903708275 969594456 /nfs/dbraw/zinc/59/44/56/969594456.db2.gz ZWZDJGXIFIBQPT-QGZVFWFLSA-N 0 1 287.403 3.643 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1[C@@H]1C[C@H](C)Sc2sccc21 ZINC001605053793 972668486 /nfs/dbraw/zinc/66/84/86/972668486.db2.gz WLQYJRHVKQQVGY-RBLKWDMZSA-N 0 1 297.445 3.611 20 0 CHADMN CCC[C@H](C)[N@@H+](C)Cc1cccc(C(=O)[O-])c1Cl ZINC000394268826 972694227 /nfs/dbraw/zinc/69/42/27/972694227.db2.gz TUHSBYOIDTWFBK-JTQLQIEISA-N 0 1 269.772 3.659 20 0 CHADMN Cc1cccc([C@@H]([NH2+]Cc2cc(Cl)cs2)C(=O)[O-])c1 ZINC001605328896 973191155 /nfs/dbraw/zinc/19/11/55/973191155.db2.gz FTTOGNWUNAUHOO-CYBMUJFWSA-N 0 1 295.791 3.625 20 0 CHADMN C[C@H]1[C@@H](C)[N@H+](Cc2cccc(C(=O)[O-])c2Cl)C[C@H]1C ZINC000399526211 973224484 /nfs/dbraw/zinc/22/44/84/973224484.db2.gz FESBEGWGKXHYPZ-GMTAPVOTSA-N 0 1 281.783 3.515 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC001606094626 973263227 /nfs/dbraw/zinc/26/32/27/973263227.db2.gz DRKFTTAYBMFPCT-NPPUXFBVSA-N 0 1 293.794 3.540 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cscc1Cl ZINC001606123191 973365926 /nfs/dbraw/zinc/36/59/26/973365926.db2.gz ULIGETMBVCWCSO-LLVKDONJSA-N 0 1 287.812 3.621 20 0 CHADMN CC[C@H](C)[N@@H+](CCC1C[C@H](C)C[C@@H](C)C1)CC(=O)[O-] ZINC000442796212 974120236 /nfs/dbraw/zinc/12/02/36/974120236.db2.gz VMKMBDDNJVWHMA-MCIONIFRSA-N 0 1 269.429 3.634 20 0 CHADMN O=C([O-])c1ccccc1CC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000519821494 974335863 /nfs/dbraw/zinc/33/58/63/974335863.db2.gz CFQJYWBFLRHWTB-SFHVURJKSA-N 0 1 295.382 3.764 20 0 CHADMN CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1CCCCC(=O)[O-] ZINC000530173208 974362680 /nfs/dbraw/zinc/36/26/80/974362680.db2.gz NQRURGNVFHHDFG-HNNXBMFYSA-N 0 1 293.382 3.649 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)C[C@@H](C)C1CCCCC1 ZINC000530174387 974363194 /nfs/dbraw/zinc/36/31/94/974363194.db2.gz WYHBVJYJIAVYLW-GFCCVEGCSA-N 0 1 293.407 3.934 20 0 CHADMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2csc(C(=O)[O-])c2)C1 ZINC000565105541 974572123 /nfs/dbraw/zinc/57/21/23/974572123.db2.gz MODQOZCZGCLLCM-NWDGAFQWSA-N 0 1 299.461 3.552 20 0 CHADMN Cc1cc([C@H](C)[N@H+]2CCCC(C)(C)CC2)oc1C(=O)[O-] ZINC000565365572 974580061 /nfs/dbraw/zinc/58/00/61/974580061.db2.gz CCUKIKVKYUKBPM-LBPRGKRZSA-N 0 1 279.380 3.859 20 0 CHADMN O=C([O-])c1occc1C[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000565663010 974587288 /nfs/dbraw/zinc/58/72/88/974587288.db2.gz VZHGOCMMVIIDOK-QWGSZXSUSA-N 0 1 297.354 3.656 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](C)Cc1csc(C(=O)[O-])c1 ZINC000566357672 974607410 /nfs/dbraw/zinc/60/74/10/974607410.db2.gz HWHGQUXWSZZJBZ-NSHDSACASA-N 0 1 275.373 3.639 20 0 CHADMN Cc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000566683331 974619942 /nfs/dbraw/zinc/61/99/42/974619942.db2.gz ACSXNMIIPVTGAQ-OAHLLOKOSA-N 0 1 285.343 3.623 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])o1)[C@@H](C)c1ccc(F)cc1 ZINC000567116644 974627554 /nfs/dbraw/zinc/62/75/54/974627554.db2.gz FUPOYIGATFHUQW-NSHDSACASA-N 0 1 291.322 3.700 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000568061637 974656753 /nfs/dbraw/zinc/65/67/53/974656753.db2.gz MQOCQVNCAHFUHK-CJNGLKHVSA-N 0 1 293.382 3.710 20 0 CHADMN O=C([O-])C[N@@H+](CCc1ccccc1)CC1CCCCCC1 ZINC000568479058 974671318 /nfs/dbraw/zinc/67/13/18/974671318.db2.gz OOTQRODCCUUSOB-UHFFFAOYSA-N 0 1 289.419 3.586 20 0 CHADMN O=C([O-])C[N@@H+](CCCc1ccc(Cl)cc1)C1CCCC1 ZINC000570818065 974719272 /nfs/dbraw/zinc/71/92/72/974719272.db2.gz HXTCOWTUCXVBET-UHFFFAOYSA-N 0 1 295.810 3.602 20 0 CHADMN C[N@@H+](Cc1csc(C(=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000578329904 974852880 /nfs/dbraw/zinc/85/28/80/974852880.db2.gz SMWQGMDYAZIBJG-CQSZACIVSA-N 0 1 287.384 3.566 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCc2c(cccc2C(C)C)C1 ZINC000579967717 974886327 /nfs/dbraw/zinc/88/63/27/974886327.db2.gz VEIVZSRYUWPWRY-KRWDZBQOSA-N 0 1 289.419 3.667 20 0 CHADMN C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000580336539 974892890 /nfs/dbraw/zinc/89/28/90/974892890.db2.gz REUDVZPAMLTPKE-VXGBXAGGSA-N 0 1 279.355 3.534 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCCC[C@@H]1C(C)C ZINC000581016888 974903712 /nfs/dbraw/zinc/90/37/12/974903712.db2.gz KHHRRBABCVTWHA-CYBMUJFWSA-N 0 1 279.380 3.551 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000583940022 974948137 /nfs/dbraw/zinc/94/81/37/974948137.db2.gz NMUKLQZWPLYKLG-CYBMUJFWSA-N 0 1 299.370 3.702 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000629361015 975083034 /nfs/dbraw/zinc/08/30/34/975083034.db2.gz BHDFBWAYIZDFPP-CYBMUJFWSA-N 0 1 275.392 3.917 20 0 CHADMN CCC[C@H](C)CCC[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000629362504 975083463 /nfs/dbraw/zinc/08/34/63/975083463.db2.gz URKSRYCPVJWEJH-QWHCGFSZSA-N 0 1 255.402 3.530 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000629363653 975084189 /nfs/dbraw/zinc/08/41/89/975084189.db2.gz DZUQCRKPBKHNOC-CQSZACIVSA-N 0 1 289.419 3.959 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1F)C(C)(C)C ZINC000634697200 975274729 /nfs/dbraw/zinc/27/47/29/975274729.db2.gz CIDCMYKEEHFEEE-FZMZJTMJSA-N 0 1 281.371 3.565 20 0 CHADMN O=C([O-])c1cc(C[N@@H+](Cc2ccccc2)C2CC2)cs1 ZINC000652385520 975518151 /nfs/dbraw/zinc/51/81/51/975518151.db2.gz ZQXISPUCHKGBNW-UHFFFAOYSA-N 0 1 287.384 3.611 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@H]2c2cccc(C)c2)cc1C(=O)[O-] ZINC000652389683 975518288 /nfs/dbraw/zinc/51/82/88/975518288.db2.gz ZCDDXONAIXUURE-KRWDZBQOSA-N 0 1 299.370 3.932 20 0 CHADMN O=C([O-])CC1(C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000652389577 975518994 /nfs/dbraw/zinc/51/89/94/975518994.db2.gz MZXDVYJHKSIRAH-CQSZACIVSA-N 0 1 293.794 3.732 20 0 CHADMN CC[N@H+](Cc1ccoc1)Cc1cccc(C(=O)[O-])c1Cl ZINC000652408268 975524038 /nfs/dbraw/zinc/52/40/38/975524038.db2.gz SCLTYYLAQUARNS-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN CC[N@@H+](Cc1ccoc1)Cc1cccc(C(=O)[O-])c1Cl ZINC000652408268 975524044 /nfs/dbraw/zinc/52/40/44/975524044.db2.gz SCLTYYLAQUARNS-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCCC2(CCCCC2)C1 ZINC000652413550 975526820 /nfs/dbraw/zinc/52/68/20/975526820.db2.gz XXUOZCFEENHTKO-UHFFFAOYSA-N 0 1 293.432 3.993 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+](CCC(=O)[O-])C(C)C ZINC000652478570 975547477 /nfs/dbraw/zinc/54/74/77/975547477.db2.gz KRVCLEINVXWQNI-UHFFFAOYSA-N 0 1 285.387 3.833 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2)[C@@H](C(=O)[O-])C1 ZINC000652502815 975567386 /nfs/dbraw/zinc/56/73/86/975567386.db2.gz AUCJPRBLAJHANP-CXAGYDPISA-N 0 1 283.371 3.525 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCCC2(CCCC2)CC1 ZINC000656757882 975684558 /nfs/dbraw/zinc/68/45/58/975684558.db2.gz CAUIXTDAJWASLJ-UHFFFAOYSA-N 0 1 277.364 3.524 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CCC=C(C)C)CC(=O)[O-] ZINC000659793205 975879652 /nfs/dbraw/zinc/87/96/52/975879652.db2.gz CYPHFYUPKAAJAB-INIZCTEOSA-N 0 1 275.392 3.881 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000659804527 975894697 /nfs/dbraw/zinc/89/46/97/975894697.db2.gz ZEOUWXQUKAUUHT-OAHLLOKOSA-N 0 1 267.413 3.534 20 0 CHADMN C[N@H+](Cc1cc(C(=O)[O-])ccc1Cl)C[C@H]1CC1(C)C ZINC000663317337 975943914 /nfs/dbraw/zinc/94/39/14/975943914.db2.gz LUVHRDUOHVCXOT-GFCCVEGCSA-N 0 1 281.783 3.516 20 0 CHADMN CC(C)c1[nH]c(C[N@@H+](C)C2CCCCCC2)cc1C(=O)[O-] ZINC001591910616 976321262 /nfs/dbraw/zinc/32/12/62/976321262.db2.gz KWOPLIUCGYGNGH-UHFFFAOYSA-N 0 1 292.423 3.991 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@@H](C)c1nc(C(=O)[O-])co1)C1CCCCC1 ZINC001592578837 978486245 /nfs/dbraw/zinc/48/62/45/978486245.db2.gz HUULCRRNNCSHCD-RYUDHWBXSA-N 0 1 294.395 3.582 20 0 CHADMN C[C@@H](C[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)CC(C)(C)C ZINC001592623758 978595507 /nfs/dbraw/zinc/59/55/07/978595507.db2.gz DMBYBLDLTWGILM-CKEIUWERSA-N 0 1 281.440 3.636 20 0 CHADMN CCO[C@@H](CCN[C@@H](C)c1cc(C)on1)C1CCCC1 ZINC000340519968 1118315506 /nfs/dbraw/zinc/31/55/06/1118315506.db2.gz SUQFFMLOZFDMHY-BBRMVZONSA-N 0 1 280.412 3.619 20 0 CHADMN CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C/C=C(\C)C(=O)[O-] ZINC000846244002 979421230 /nfs/dbraw/zinc/42/12/30/979421230.db2.gz RTHKBQISRHJIJS-OMCKNOPTSA-N 0 1 287.403 3.676 20 0 CHADMN C/C(=C\C[N@@H+]1CCC[C@H](C)[C@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000846248990 979424730 /nfs/dbraw/zinc/42/47/30/979424730.db2.gz JRCSHTRBXWOSHC-QIXNYHOWSA-N 0 1 287.403 3.799 20 0 CHADMN CCCCCC[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000846264322 979434368 /nfs/dbraw/zinc/43/43/68/979434368.db2.gz XYNMJVZHVQAIPI-UHFFFAOYSA-N 0 1 283.799 3.807 20 0 CHADMN CC(C)(CC[N@@H+](Cc1ccco1)C1CCCC1)C(=O)[O-] ZINC000859781560 979627517 /nfs/dbraw/zinc/62/75/17/979627517.db2.gz FUKFLSDFVRGTCG-UHFFFAOYSA-N 0 1 279.380 3.525 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000872156820 980039200 /nfs/dbraw/zinc/03/92/00/980039200.db2.gz FVSDVKAOMYSMPR-QGZVFWFLSA-N 0 1 295.382 3.683 20 0 CHADMN CC1(C)[C@H](c2ccccc2Cl)CC[N@H+]1CCCC(=O)[O-] ZINC000880288763 980204401 /nfs/dbraw/zinc/20/44/01/980204401.db2.gz GCZPEYSPBQLZQM-ZDUSSCGKSA-N 0 1 295.810 3.773 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)[C@H]1C ZINC000901438808 980287382 /nfs/dbraw/zinc/28/73/82/980287382.db2.gz ZOPFTYVCWCAOAQ-OLZOCXBDSA-N 0 1 299.370 3.875 20 0 CHADMN CCCc1ccc(C[N@@H+](CCC(=O)[O-])CC(C)C)s1 ZINC000901594412 980398569 /nfs/dbraw/zinc/39/85/69/980398569.db2.gz ZOFNUTUYHMWTOV-UHFFFAOYSA-N 0 1 283.437 3.633 20 0 CHADMN CC[C@H]1CCCC[C@H]1C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000901648197 980426335 /nfs/dbraw/zinc/42/63/35/980426335.db2.gz OKPNRQMXNKCLHG-ZFWWWQNUSA-N 0 1 287.403 3.917 20 0 CHADMN CC1=CCC[C@@H](C)[C@@H]1C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000901668369 980435173 /nfs/dbraw/zinc/43/51/73/980435173.db2.gz DMCLMKGDTQTQKH-RDTXWAMCSA-N 0 1 299.414 3.735 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@H]2C2CC2)c1Br ZINC000656433251 1118549692 /nfs/dbraw/zinc/54/96/92/1118549692.db2.gz YWZKZVWQBYVKMA-LBPRGKRZSA-N 0 1 296.208 3.529 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@H]2C2CC2)c1Br ZINC000656433251 1118549693 /nfs/dbraw/zinc/54/96/93/1118549693.db2.gz YWZKZVWQBYVKMA-LBPRGKRZSA-N 0 1 296.208 3.529 20 0 CHADMN Cc1ccccc1-c1ccccc1C[N@@H+](CC(=O)[O-])C1CC1 ZINC000901974312 980656181 /nfs/dbraw/zinc/65/61/81/980656181.db2.gz CIGNXNUDQVBACO-UHFFFAOYSA-N 0 1 295.382 3.711 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cccc(OC(C)(C)C)c1 ZINC000901987196 980667683 /nfs/dbraw/zinc/66/76/83/980667683.db2.gz FHNJPMJCGBLWHY-CYBMUJFWSA-N 0 1 293.407 3.549 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000902039199 980709374 /nfs/dbraw/zinc/70/93/74/980709374.db2.gz NQPUSHUNOGSOPQ-OAHLLOKOSA-N 0 1 295.810 3.786 20 0 CHADMN C[N@@H+](CCC(C)(C)C(=O)[O-])Cc1csc2ccccc12 ZINC000902144218 980755998 /nfs/dbraw/zinc/75/59/98/980755998.db2.gz WEPOFBYNAGSRLE-UHFFFAOYSA-N 0 1 291.416 3.834 20 0 CHADMN CCC1(CC)CCC[N@H+]([C@@H](C)c2nc(C(=O)[O-])co2)CC1 ZINC001595374767 980888034 /nfs/dbraw/zinc/88/80/34/980888034.db2.gz UGOLSMJDXBKGAY-LBPRGKRZSA-N 0 1 294.395 3.726 20 0 CHADMN CCC1(CC)CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001595375185 980893056 /nfs/dbraw/zinc/89/30/56/980893056.db2.gz XINXFACBJGKXQT-CQSZACIVSA-N 0 1 295.810 3.978 20 0 CHADMN CCc1oc(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)cc1C(=O)[O-] ZINC000902449592 980893259 /nfs/dbraw/zinc/89/32/59/980893259.db2.gz CWYCTXMRWBRSPN-GFCCVEGCSA-N 0 1 293.407 3.798 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCC(C)(C)C(=O)[O-])o1 ZINC000902524534 980920900 /nfs/dbraw/zinc/92/09/00/980920900.db2.gz UYJVSTAHQPXPHH-JSGCOSHPSA-N 0 1 293.407 3.862 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])c(CC)o1 ZINC000902532149 980924579 /nfs/dbraw/zinc/92/45/79/980924579.db2.gz XDRGTJAKEMCDFL-WFASDCNBSA-N 0 1 293.407 3.941 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3cc(C(=O)[O-])co3)C2)cc1 ZINC000902546109 980928293 /nfs/dbraw/zinc/92/82/93/980928293.db2.gz RHINEVUYHQCEFP-UKRRQHHQSA-N 0 1 299.370 3.664 20 0 CHADMN C[C@H](C1CCCCC1)[N@@H+](C)Cc1cc(C(=O)[O-])cs1 ZINC000902545825 980928431 /nfs/dbraw/zinc/92/84/31/980928431.db2.gz MMSSCGIIRDZIPJ-LLVKDONJSA-N 0 1 281.421 3.847 20 0 CHADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1cc(Cl)cc2ccccc21 ZINC000903401696 980958418 /nfs/dbraw/zinc/95/84/18/980958418.db2.gz YLBQIUAYKDJWIN-OAHLLOKOSA-N 0 1 289.762 3.542 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000903597411 980980615 /nfs/dbraw/zinc/98/06/15/980980615.db2.gz ZOCIXRNTSGLAFV-BYNSBNAKSA-N 0 1 281.440 3.634 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000903597412 980980821 /nfs/dbraw/zinc/98/08/21/980980821.db2.gz ZOCIXRNTSGLAFV-GBJTYRQASA-N 0 1 281.440 3.634 20 0 CHADMN CCc1ccc2ccccc2c1C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000903601811 980983847 /nfs/dbraw/zinc/98/38/47/980983847.db2.gz OQFMGRDJOCULLL-INIZCTEOSA-N 0 1 297.398 3.841 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccccc1C(C)C ZINC000903900403 981028000 /nfs/dbraw/zinc/02/80/00/981028000.db2.gz GVFDQLDHHWKKRR-UHFFFAOYSA-N 0 1 277.408 3.743 20 0 CHADMN CCCCC[C@@H]1CCCC[N@H+]1Cc1cncc(C(=O)[O-])c1 ZINC000903909488 981033550 /nfs/dbraw/zinc/03/35/50/981033550.db2.gz JCFAZXCQEJKKMW-MRXNPFEDSA-N 0 1 290.407 3.715 20 0 CHADMN CC[C@@H]1CCC[C@H](C[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2)C1 ZINC001595432242 981056642 /nfs/dbraw/zinc/05/66/42/981056642.db2.gz LYZGDOWKTUDAPK-HLLBOEOZSA-N 0 1 289.419 3.961 20 0 CHADMN Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000903938283 981056813 /nfs/dbraw/zinc/05/68/13/981056813.db2.gz KEYPBKZOIXKKJS-GDBMZVCRSA-N 0 1 297.398 3.833 20 0 CHADMN CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001595444401 981087918 /nfs/dbraw/zinc/08/79/18/981087918.db2.gz OJYCPPPOHLOYKO-XONSNMTISA-N 0 1 291.391 3.778 20 0 CHADMN CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC001595444544 981088954 /nfs/dbraw/zinc/08/89/54/981088954.db2.gz QVLAUCOXOCBRPY-MLGOLLRUSA-N 0 1 293.382 3.925 20 0 CHADMN CCC(C)(C)CC[N@@H+](C)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC000905374333 981097180 /nfs/dbraw/zinc/09/71/80/981097180.db2.gz ZKBBBFNBVCZCRQ-HNNXBMFYSA-N 0 1 293.407 3.579 20 0 CHADMN CCc1ccccc1CC[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905373393 981097364 /nfs/dbraw/zinc/09/73/64/981097364.db2.gz NSNIDQRXRKNPAV-GOSISDBHSA-N 0 1 297.398 3.549 20 0 CHADMN COc1cc(F)c(F)cc1C[N@H+]1CCCCC[C@@H]1C ZINC001143394226 1118603349 /nfs/dbraw/zinc/60/33/49/1118603349.db2.gz VVCSDPKVKYBGNG-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN COc1cc(F)c(F)cc1CN1CCCCC[C@@H]1C ZINC001143394226 1118603351 /nfs/dbraw/zinc/60/33/51/1118603351.db2.gz VVCSDPKVKYBGNG-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN CCN(CCn1ccnc1)Cc1cc(Cl)ccc1Cl ZINC001204567929 1118641073 /nfs/dbraw/zinc/64/10/73/1118641073.db2.gz MCCYTSMKQMWSLD-UHFFFAOYSA-N 0 1 298.217 3.712 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC001595629048 981795005 /nfs/dbraw/zinc/79/50/05/981795005.db2.gz VMAOYMGGCMCJMD-DOTOQJQBSA-N 0 1 293.382 3.509 20 0 CHADMN CC[C@](C)(C(=O)[O-])[N@@H+](CC1CC1)C[C@H]1CC2CCC1CC2 ZINC001594784789 981799761 /nfs/dbraw/zinc/79/97/61/981799761.db2.gz HOQKQCJBSVGIQS-FDNMGUDYSA-N 0 1 293.451 3.778 20 0 CHADMN CC[C@](C)(C(=O)[O-])[N@@H+](CCC1=CCCCC1)CC1CC1 ZINC001594788214 981835756 /nfs/dbraw/zinc/83/57/56/981835756.db2.gz UVVUJUZHEITKCF-QGZVFWFLSA-N 0 1 279.424 3.842 20 0 CHADMN CCCC[C@@H](C)[N@@H+](CCCC)Cc1oncc1C(=O)[O-] ZINC001595631916 981846218 /nfs/dbraw/zinc/84/62/18/981846218.db2.gz KCIUJTUWUKJVTL-GFCCVEGCSA-N 0 1 282.384 3.554 20 0 CHADMN CCCC[C@H](C)[N@@H+](CCCC)Cc1cc(C(=O)[O-])n(C)c1 ZINC001595632094 981849872 /nfs/dbraw/zinc/84/98/72/981849872.db2.gz RNHDVLINHWKZAW-AWEZNQCLSA-N 0 1 294.439 3.904 20 0 CHADMN CCCC[C@H](CC)C[N@@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC001595632329 981853432 /nfs/dbraw/zinc/85/34/32/981853432.db2.gz FKSPSIYXVHYIEY-ZDUSSCGKSA-N 0 1 267.413 3.675 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1Cc1cc(C)c(C(=O)[O-])[nH]1 ZINC001595690507 982197409 /nfs/dbraw/zinc/19/74/09/982197409.db2.gz QIWUEZBLKSDSAG-CQSZACIVSA-N 0 1 278.396 3.566 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC001594874775 982205215 /nfs/dbraw/zinc/20/52/15/982205215.db2.gz DWOBRJMSHOZHOO-HDEZJCGLSA-N 0 1 289.419 3.672 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC001594874782 982205492 /nfs/dbraw/zinc/20/54/92/982205492.db2.gz DWOBRJMSHOZHOO-XJNFMUPTSA-N 0 1 289.419 3.672 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC001594876121 982211613 /nfs/dbraw/zinc/21/16/13/982211613.db2.gz KDBCPJKZDUQJLR-WCFLWFBJSA-N 0 1 281.421 3.630 20 0 CHADMN CCCC[N@@H+](CCCCC(=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC001595745070 982410648 /nfs/dbraw/zinc/41/06/48/982410648.db2.gz REZIBGZJXMBGEX-CABCVRRESA-N 0 1 269.429 3.922 20 0 CHADMN CC[C@H](C)C[N@@H+](CC)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001594961011 982714073 /nfs/dbraw/zinc/71/40/73/982714073.db2.gz SSMCJOSEMQBOEM-SMDDNHRTSA-N 0 1 283.799 3.834 20 0 CHADMN C[C@@H](Cc1ccsc1)NCc1nc(C(C)(C)C)co1 ZINC000724427908 1118999541 /nfs/dbraw/zinc/99/95/41/1118999541.db2.gz CRQVUTXPZPDEIS-NSHDSACASA-N 0 1 278.421 3.754 20 0 CHADMN CCCc1ccc(C[N@@H+](C)C2(C(=O)[O-])CCCCC2)s1 ZINC001596063445 983375716 /nfs/dbraw/zinc/37/57/16/983375716.db2.gz YWGZIQZYSOATHK-UHFFFAOYSA-N 0 1 295.448 3.920 20 0 CHADMN C[C@@H](NCc1cnc[nH]1)c1cc(F)c(Cl)cc1Cl ZINC000112337407 1125486605 /nfs/dbraw/zinc/48/66/05/1125486605.db2.gz IVRFMFLTRHISJR-SSDOTTSWSA-N 0 1 288.153 3.706 20 0 CHADMN C[C@@H]1CCC[C@H](C)CN1Cc1noc(-c2ccsc2)n1 ZINC000131014580 1125487891 /nfs/dbraw/zinc/48/78/91/1125487891.db2.gz TXIAPYHFJJLWED-NWDGAFQWSA-N 0 1 291.420 3.809 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])s1)[C@H]1CCCC[C@@H]1C ZINC001596357581 983828220 /nfs/dbraw/zinc/82/82/20/983828220.db2.gz JDGMLTPDZXKSJF-AAEUAGOBSA-N 0 1 281.421 3.847 20 0 CHADMN CC[N@@H+](Cc1ccsc1C(=O)[O-])[C@@H]1CCCC[C@H]1C ZINC001596378775 983899191 /nfs/dbraw/zinc/89/91/91/983899191.db2.gz WNVRPQGWLOCTSP-DGCLKSJQSA-N 0 1 281.421 3.847 20 0 CHADMN CC(=O)c1cccc(O)c1Nc1ccc2[nH]c(C)nc2c1 ZINC001213075220 1125491154 /nfs/dbraw/zinc/49/11/54/1125491154.db2.gz JQBFJVJPJOJIPN-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN Cc1[nH]c(C[N@H+]2CCC(C)(C)CC(C)(C)C2)cc1C(=O)[O-] ZINC001599963412 985843686 /nfs/dbraw/zinc/84/36/86/985843686.db2.gz ZOAWQJQMXZUIRD-UHFFFAOYSA-N 0 1 292.423 3.670 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2F)[C@H]2CCCC[C@H]12 ZINC001594537128 986158640 /nfs/dbraw/zinc/15/86/40/986158640.db2.gz VCQDVRWZRQVNGL-XFJVYGCCSA-N 0 1 291.366 3.534 20 0 CHADMN CC(C)c1nc(C[N@@H+]2CCC[C@@H]2C(C)C)cs1 ZINC000140536432 1119579184 /nfs/dbraw/zinc/57/91/84/1119579184.db2.gz BVOVCJZJLOHGNA-CYBMUJFWSA-N 0 1 252.427 3.887 20 0 CHADMN CC(C)c1nc(CN2CCC[C@@H]2C(C)C)cs1 ZINC000140536432 1119579185 /nfs/dbraw/zinc/57/91/85/1119579185.db2.gz BVOVCJZJLOHGNA-CYBMUJFWSA-N 0 1 252.427 3.887 20 0 CHADMN CSc1ccc(CN[C@H](C)c2c(C)noc2C)s1 ZINC000685616094 1119638578 /nfs/dbraw/zinc/63/85/78/1119638578.db2.gz CZEIKWLFCYNYRC-MRVPVSSYSA-N 0 1 282.434 3.926 20 0 CHADMN CC(C)[C@H]1CN(Cc2cnc(C3CC3)s2)CCS1 ZINC000093869342 1119660379 /nfs/dbraw/zinc/66/03/79/1119660379.db2.gz REQXBGIBWJVTBN-CYBMUJFWSA-N 0 1 282.478 3.594 20 0 CHADMN CC[C@H]([NH2+]Cc1cc(C(=O)[O-])c(C)o1)c1ccccc1F ZINC001597349532 987486006 /nfs/dbraw/zinc/48/60/06/987486006.db2.gz NKIJHBKOGZMTSV-HNNXBMFYSA-N 0 1 291.322 3.666 20 0 CHADMN CCc1nc(C)c([C@@H](C)NCc2scnc2C)s1 ZINC000132339443 1125500810 /nfs/dbraw/zinc/50/08/10/1125500810.db2.gz FASZQUWCPQXBAQ-SECBINFHSA-N 0 1 281.450 3.630 20 0 CHADMN CC(C)(C)C1=CC[N@@H+](C[C@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC001589726688 987911843 /nfs/dbraw/zinc/91/18/43/987911843.db2.gz LEZBLQKSKTVSGL-HIFRSBDPSA-N 0 1 279.424 3.556 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC001589732407 987960540 /nfs/dbraw/zinc/96/05/40/987960540.db2.gz KRSYZJMSGXFGSG-WFASDCNBSA-N 0 1 293.382 3.710 20 0 CHADMN CCc1ccc([C@H](C)[NH2+][C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001597563611 988316812 /nfs/dbraw/zinc/31/68/12/988316812.db2.gz QAGPMSNLLCJFQH-XHDPSFHLSA-N 0 1 289.400 3.787 20 0 CHADMN CCc1ccc2c(c1)C[N@H+](Cc1cccc(C(=O)[O-])c1)CC2 ZINC001597569442 988335236 /nfs/dbraw/zinc/33/52/36/988335236.db2.gz VOLPXOONTBAKKH-UHFFFAOYSA-N 0 1 295.382 3.506 20 0 CHADMN CC(C)c1cc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)n[nH]1 ZINC000115452458 1125503763 /nfs/dbraw/zinc/50/37/63/1125503763.db2.gz SWALALVXISJPHH-HIFRSBDPSA-N 0 1 297.402 3.551 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@@H](CF)C2)c1Cl ZINC001138027988 1131454313 /nfs/dbraw/zinc/45/43/13/1131454313.db2.gz RPFYVOSIGBKOQD-NSHDSACASA-N 0 1 273.754 3.969 20 0 CHADMN Cc1ncc([C@@H](C)N(C)[C@@H](C)c2cccs2)c(C)n1 ZINC000637919112 1129237027 /nfs/dbraw/zinc/23/70/27/1129237027.db2.gz JJRRDXBSNXWGRE-NEPJUHHUSA-N 0 1 275.421 3.909 20 0 CHADMN CCc1oc(CNc2cccc3cc[nH+]cc32)cc1C(=O)[O-] ZINC001597804479 989406222 /nfs/dbraw/zinc/40/62/22/989406222.db2.gz CVQZJSXMDLGRIS-UHFFFAOYSA-N 0 1 296.326 3.701 20 0 CHADMN CCC[C@@H]1CCCCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000179512582 1120094384 /nfs/dbraw/zinc/09/43/84/1120094384.db2.gz USSXFYFVFTXAAP-GFCCVEGCSA-N 0 1 281.783 3.840 20 0 CHADMN CC(C)=CCC[N@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000659793421 1120110711 /nfs/dbraw/zinc/11/07/11/1120110711.db2.gz WLOLNOVFODDUSI-CVEARBPZSA-N 0 1 279.424 3.698 20 0 CHADMN CC(C)[C@H]1CCCCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC001591088375 991622006 /nfs/dbraw/zinc/62/20/06/991622006.db2.gz HKGNXPSYYDMJGO-MRXNPFEDSA-N 0 1 275.392 3.785 20 0 CHADMN CC(C)[C@@H]1[N@@H+](Cc2cccc(C(=O)[O-])c2)CC12CC=CC2 ZINC001591099879 991715989 /nfs/dbraw/zinc/71/59/89/991715989.db2.gz OXWPJJLKMWITJR-INIZCTEOSA-N 0 1 285.387 3.561 20 0 CHADMN CCC[C@](C)(CO)NCc1csc(-c2cccs2)n1 ZINC000304345600 1120204840 /nfs/dbraw/zinc/20/48/40/1120204840.db2.gz LUTVSOZZVBRRRF-CQSZACIVSA-N 0 1 296.461 3.512 20 0 CHADMN CC(C)CC[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001591229199 992110209 /nfs/dbraw/zinc/11/02/09/992110209.db2.gz WELUOHFQBCTTHI-CQSZACIVSA-N 0 1 278.396 3.504 20 0 CHADMN CC(C)[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)[C@@H](C)c1ccsc1 ZINC001591596845 992824845 /nfs/dbraw/zinc/82/48/45/992824845.db2.gz QODPOKCBGLGFIT-NSHDSACASA-N 0 1 292.404 3.746 20 0 CHADMN CCOc1ccc(CNCc2c(C)cccc2C)o1 ZINC000893172560 1120277792 /nfs/dbraw/zinc/27/77/92/1120277792.db2.gz SZIVADXIDCROQC-UHFFFAOYSA-N 0 1 259.349 3.585 20 0 CHADMN C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1ccc(C(=O)[O-])o1 ZINC001593197385 994162860 /nfs/dbraw/zinc/16/28/60/994162860.db2.gz JSBLSTXKPPEFOR-DTWKUNHWSA-N 0 1 295.285 3.668 20 0 CHADMN C[C@H]([NH2+]Cc1cc(C(=O)[O-])co1)c1ccc(Cl)c(F)c1 ZINC001593288318 994653704 /nfs/dbraw/zinc/65/37/04/994653704.db2.gz GGZCFAYZZRPXQD-QMMMGPOBSA-N 0 1 297.713 3.621 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC3(CC3)CC2)c1 ZINC000682085815 1120408514 /nfs/dbraw/zinc/40/85/14/1120408514.db2.gz REQRHKSCRCVENF-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C1(C)C ZINC001593942625 996969216 /nfs/dbraw/zinc/96/92/16/996969216.db2.gz MYUSGNKHXXCTPS-UHFFFAOYSA-N 0 1 281.783 3.659 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)N(C)Cc1cn[nH]c1 ZINC000673926954 1120694839 /nfs/dbraw/zinc/69/48/39/1120694839.db2.gz CLNIMTJUSSCFOM-AWEZNQCLSA-N 0 1 263.772 3.646 20 0 CHADMN CCC[C@H](NCCOC(C)(C)C)c1ncccc1Cl ZINC000925777223 1120985334 /nfs/dbraw/zinc/98/53/34/1120985334.db2.gz CINWEIBZTZVHHY-ZDUSSCGKSA-N 0 1 284.831 3.981 20 0 CHADMN Cc1ncccc1CNCc1csc(Br)c1 ZINC000163853510 1121032551 /nfs/dbraw/zinc/03/25/51/1121032551.db2.gz XTOXABWPGLNTFR-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN C[C@H]1CC(CC[N@H+]2CCCCC[C@H]2C(=O)[O-])C[C@H](C)C1 ZINC001594222835 998858646 /nfs/dbraw/zinc/85/86/46/998858646.db2.gz JNDHRLTZTOCVTQ-FMKPAKJESA-N 0 1 281.440 3.778 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC001594269669 999042263 /nfs/dbraw/zinc/04/22/63/999042263.db2.gz MCSYVXCXNIAUES-SWLSCSKDSA-N 0 1 285.343 3.561 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC001594270661 999046192 /nfs/dbraw/zinc/04/61/92/999046192.db2.gz YIQNSTHKTXUUHD-KDOFPFPSSA-N 0 1 295.382 3.968 20 0 CHADMN C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001594330198 999269458 /nfs/dbraw/zinc/26/94/58/999269458.db2.gz LMPFLUCZRZQILA-DYVFJYSZSA-N 0 1 298.386 3.686 20 0 CHADMN Cc1cscc1CNCc1ccc(CC(C)C)nc1 ZINC000894080780 1121468023 /nfs/dbraw/zinc/46/80/23/1121468023.db2.gz XQUUMHHOXGGXPO-UHFFFAOYSA-N 0 1 274.433 3.940 20 0 CHADMN Cc1cc(CNc2ccc(F)cc2C(C)(F)F)n[nH]1 ZINC001118928363 1121699125 /nfs/dbraw/zinc/69/91/25/1121699125.db2.gz LTYUJANNUILGLW-UHFFFAOYSA-N 0 1 269.270 3.581 20 0 CHADMN COC[C@@H](NCCSC1CCCCC1)c1ccc(C)o1 ZINC000501009979 1121937620 /nfs/dbraw/zinc/93/76/20/1121937620.db2.gz GYKAPWXCVAGATJ-OAHLLOKOSA-N 0 1 297.464 3.931 20 0 CHADMN CCc1nc(CN2CC[C@H](C3CCCC3)C2)cs1 ZINC000420966504 1122052565 /nfs/dbraw/zinc/05/25/65/1122052565.db2.gz VJUGGIBOKWTYRX-ZDUSSCGKSA-N 0 1 264.438 3.718 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@@H](CCF)C2)c(F)c1 ZINC001182890823 1122193808 /nfs/dbraw/zinc/19/38/08/1122193808.db2.gz GAMLQPCCWVXQCY-LBPRGKRZSA-N 0 1 271.326 3.845 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1CN1CCO[C@](C)(C(F)(F)F)C1 ZINC001183419051 1122222965 /nfs/dbraw/zinc/22/29/65/1122222965.db2.gz HEMRDNJGIPIJOR-IHRRRGAJSA-N 0 1 291.357 3.632 20 0 CHADMN COc1cc(C)c([C@H](C)NCc2ccoc2)cc1C ZINC000273177277 1122223126 /nfs/dbraw/zinc/22/31/26/1122223126.db2.gz NQQPRFFVGGCMRP-ZDUSSCGKSA-N 0 1 259.349 3.756 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H](C)CC(C)C)c1 ZINC000436648259 1122569048 /nfs/dbraw/zinc/56/90/48/1122569048.db2.gz SPDSHZASGDMNMG-NSHDSACASA-N 0 1 277.364 3.606 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C[C@@H](C)C(C)C)c1 ZINC000436660069 1122570659 /nfs/dbraw/zinc/57/06/59/1122570659.db2.gz UDKLTBRJKBDAES-LLVKDONJSA-N 0 1 277.364 3.606 20 0 CHADMN COc1cccc(Cl)c1C[N@H+]1CCCC[C@@H]1C ZINC000505881344 1122581592 /nfs/dbraw/zinc/58/15/92/1122581592.db2.gz JVIXZXJFEKRGTE-NSHDSACASA-N 0 1 253.773 3.723 20 0 CHADMN COc1cccc(Cl)c1CN1CCCC[C@@H]1C ZINC000505881344 1122581599 /nfs/dbraw/zinc/58/15/99/1122581599.db2.gz JVIXZXJFEKRGTE-NSHDSACASA-N 0 1 253.773 3.723 20 0 CHADMN CCCC[C@@H](CC)CN(CC(=O)OCC)C1CCC1 ZINC001193188434 1122681890 /nfs/dbraw/zinc/68/18/90/1122681890.db2.gz KKPWILVTDWNZNC-CQSZACIVSA-N 0 1 269.429 3.620 20 0 CHADMN Cc1nc2ccc(C[N@@H+]3CCSC[C@@H]3C)cc2s1 ZINC000426403558 1122784929 /nfs/dbraw/zinc/78/49/29/1122784929.db2.gz GINOGHWNAUBVNX-JTQLQIEISA-N 0 1 278.446 3.542 20 0 CHADMN Cc1nc2ccc(CN3CCSC[C@@H]3C)cc2s1 ZINC000426403558 1122784934 /nfs/dbraw/zinc/78/49/34/1122784934.db2.gz GINOGHWNAUBVNX-JTQLQIEISA-N 0 1 278.446 3.542 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CC[C@H]3CCC[C@H]32)s1 ZINC000426494911 1122805910 /nfs/dbraw/zinc/80/59/10/1122805910.db2.gz IADLEVJCBWRXHU-NXEZZACHSA-N 0 1 290.354 3.845 20 0 CHADMN Cc1cccc(Cl)c1S(=O)(=O)Nc1ccc(F)cc1 ZINC001195267350 1122858901 /nfs/dbraw/zinc/85/89/01/1122858901.db2.gz BYXVCMRGMGGKGL-UHFFFAOYSA-N 0 1 299.754 3.588 20 0 CHADMN CCOc1cc(F)c(CN(C)CC2CCCC2)c(F)c1 ZINC001143575546 1122896596 /nfs/dbraw/zinc/89/65/96/1122896596.db2.gz DBABEGMNJHJBBJ-UHFFFAOYSA-N 0 1 283.362 3.986 20 0 CHADMN C[C@@H](CCc1ccccc1)N(C)Cc1nccs1 ZINC000507215879 1122939302 /nfs/dbraw/zinc/93/93/02/1122939302.db2.gz WRJQGRBQZISINN-ZDUSSCGKSA-N 0 1 260.406 3.596 20 0 CHADMN CSCCCN1CCSC[C@H]1c1ccc(F)cc1 ZINC001201691760 1123142559 /nfs/dbraw/zinc/14/25/59/1123142559.db2.gz DSTYBGOJHFRGRC-AWEZNQCLSA-N 0 1 285.453 3.669 20 0 CHADMN CC[C@H](C)Nc1ccnc(C2(C(F)(F)F)CC2)c1 ZINC001168001241 1123151981 /nfs/dbraw/zinc/15/19/81/1123151981.db2.gz WJJSHUJPYUFZGX-VIFPVBQESA-N 0 1 258.287 3.886 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@H]2CCCC[C@@H]2C)n1 ZINC000184591689 1123208301 /nfs/dbraw/zinc/20/83/01/1123208301.db2.gz FYXFWTIIIINORD-TUAOUCFPSA-N 0 1 283.441 3.552 20 0 CHADMN CCOc1cccc(C[N@@H+](CC)Cc2cccs2)n1 ZINC000119996658 1123208705 /nfs/dbraw/zinc/20/87/05/1123208705.db2.gz GTUSYPCPEZCLNQ-UHFFFAOYSA-N 0 1 276.405 3.564 20 0 CHADMN CCOc1cccc(CN(CC)Cc2cccs2)n1 ZINC000119996658 1123208706 /nfs/dbraw/zinc/20/87/06/1123208706.db2.gz GTUSYPCPEZCLNQ-UHFFFAOYSA-N 0 1 276.405 3.564 20 0 CHADMN CCc1ccc(C)nc1NC[C@@H]1CCO[C@@H](CC)C1 ZINC000850356784 1123255610 /nfs/dbraw/zinc/25/56/10/1123255610.db2.gz SBHAAVVXELQPAW-HIFRSBDPSA-N 0 1 262.397 3.570 20 0 CHADMN Cc1ccc(C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)s1 ZINC000442962955 1123349824 /nfs/dbraw/zinc/34/98/24/1123349824.db2.gz LGFCDUSFOGCEOQ-ZIAGYGMSSA-N 0 1 265.422 3.588 20 0 CHADMN [O-]c1ccc(F)c(C[NH2+]CC[C@@H]2CCCC2(F)F)c1F ZINC000895544283 1123489990 /nfs/dbraw/zinc/48/99/90/1123489990.db2.gz HROZKLSPWIVPDA-VIFPVBQESA-N 0 1 291.288 3.586 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(C)s2)nc1 ZINC000338960028 1123485176 /nfs/dbraw/zinc/48/51/76/1123485176.db2.gz JPEOLQAOSYFDAW-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN CSc1ccc(CN2CC[C@@](C)(C(F)(F)F)C2)o1 ZINC000895474850 1123485215 /nfs/dbraw/zinc/48/52/15/1123485215.db2.gz ZYPBAUAFDONBMD-LLVKDONJSA-N 0 1 279.327 3.776 20 0 CHADMN CC[C@H](Cc1ccc(Cl)cc1)N[C@H](C)c1ncco1 ZINC000895764826 1123512349 /nfs/dbraw/zinc/51/23/49/1123512349.db2.gz JMNXFFZECORPMR-BXUZGUMPSA-N 0 1 278.783 4.000 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N(C)C[C@H]1CCCCO1 ZINC000346331494 1123681566 /nfs/dbraw/zinc/68/15/66/1123681566.db2.gz WFNCXPFYPDDXRJ-WCQYABFASA-N 0 1 269.335 3.527 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(F)(F)F)C2)cc1F ZINC000859215395 1123691049 /nfs/dbraw/zinc/69/10/49/1123691049.db2.gz FTTFFMSCFSGICP-NSHDSACASA-N 0 1 261.262 3.518 20 0 CHADMN CCN(Cc1cccs1)C(=O)c1ccc(O)c(Cl)c1 ZINC000042273564 1123781837 /nfs/dbraw/zinc/78/18/37/1123781837.db2.gz VXORKCMFFYVKNQ-UHFFFAOYSA-N 0 1 295.791 3.769 20 0 CHADMN FC(F)(F)c1cnccc1N1CCC(C(F)(F)F)CC1 ZINC000865567322 1123995179 /nfs/dbraw/zinc/99/51/79/1123995179.db2.gz IKYFIJVVYQNMDN-UHFFFAOYSA-N 0 1 298.230 3.879 20 0 CHADMN CCc1n[nH]c(SCc2cccc(Cl)c2Cl)n1 ZINC000446057648 1124108757 /nfs/dbraw/zinc/10/87/57/1124108757.db2.gz ABTCLWNVXYHTJH-UHFFFAOYSA-N 0 1 288.203 3.966 20 0 CHADMN Cc1ccc(CN(C)C[C@@H]2CCCCO2)c(Cl)c1 ZINC000447156615 1124134785 /nfs/dbraw/zinc/13/47/85/1124134785.db2.gz AHYJWJKWRRQWPN-AWEZNQCLSA-N 0 1 267.800 3.649 20 0 CHADMN CC[C@@H]1[C@@H](C)CCN1Cc1cncc(C(F)(F)F)c1 ZINC000361396895 1124469607 /nfs/dbraw/zinc/46/96/07/1124469607.db2.gz VPDHOVHGRLDQJU-GXFFZTMASA-N 0 1 272.314 3.721 20 0 CHADMN CC[C@@H](O)[C@@H]1CCCCN1Cc1cc(Cl)ccc1F ZINC000527298537 1124566619 /nfs/dbraw/zinc/56/66/19/1124566619.db2.gz WFLNZAIEQJMRRY-LSDHHAIUSA-N 0 1 285.790 3.605 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@@H](C)c1cc(O)ccc1F ZINC000872063785 1124670963 /nfs/dbraw/zinc/67/09/63/1124670963.db2.gz ZWJQKXBGEAHXKX-DTWKUNHWSA-N 0 1 279.277 3.913 20 0 CHADMN C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1Cc1ccncc1F ZINC000449366360 1124700955 /nfs/dbraw/zinc/70/09/55/1124700955.db2.gz VXRXJHJOEPKPOP-UMNHJUIQSA-N 0 1 290.304 3.772 20 0 CHADMN CO[C@@H]1CCN(Cc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000449492397 1124760119 /nfs/dbraw/zinc/76/01/19/1124760119.db2.gz BXLGEJPLSPINMV-IINYFYTJSA-N 0 1 288.218 3.850 20 0 CHADMN CS[C@@H]1CCN(Cc2cnc(-c3cccs3)s2)C1 ZINC000449447389 1124742641 /nfs/dbraw/zinc/74/26/41/1124742641.db2.gz YKLXQVQMMBYEPF-SNVBAGLBSA-N 0 1 296.486 3.809 20 0 CHADMN CCO[C@@H]1CCN(Cc2c(F)cccc2Cl)C[C@@H]1C ZINC000449493578 1124761915 /nfs/dbraw/zinc/76/19/15/1124761915.db2.gz LSHACSJESRMHCU-XHDPSFHLSA-N 0 1 285.790 3.726 20 0 CHADMN COC[C@H]1CCCN(Cc2ncc(C(C)(C)C)s2)CC1 ZINC000449769730 1124866009 /nfs/dbraw/zinc/86/60/09/1124866009.db2.gz CDXQZIPKZSPUDJ-ZDUSSCGKSA-N 0 1 296.480 3.689 20 0 CHADMN CSC(C)(C)CCN1CCO[C@H](c2cccs2)C1 ZINC000876644187 1124969043 /nfs/dbraw/zinc/96/90/43/1124969043.db2.gz VFOGJNJOJUZGOR-LBPRGKRZSA-N 0 1 285.478 3.653 20 0 CHADMN Cc1ccc(OC[C@H](C)NCc2nc(Cl)cs2)cc1 ZINC000876986925 1124995596 /nfs/dbraw/zinc/99/55/96/1124995596.db2.gz OVYYMGUDGPDUCD-NSHDSACASA-N 0 1 296.823 3.662 20 0 CHADMN CCC(C)(C)[C@H]1CCCN1Cc1nnc(C2CC2)s1 ZINC000450607060 1125070177 /nfs/dbraw/zinc/07/01/77/1125070177.db2.gz WETWRURKORZNJB-GFCCVEGCSA-N 0 1 279.453 3.816 20 0 CHADMN CC[C@H](NC[C@@H]1CCC2(CCC2)O1)c1nc(C)cs1 ZINC000878408668 1125150167 /nfs/dbraw/zinc/15/01/67/1125150167.db2.gz VRTQIJGFFQANBB-STQMWFEESA-N 0 1 280.437 3.594 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1ccc(Cl)nc1 ZINC001137168909 1125329659 /nfs/dbraw/zinc/32/96/59/1125329659.db2.gz WCKZYNZADJSYSZ-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN C[C@H](CCCC(F)(F)F)NC1(c2ncccn2)CCC1 ZINC000883312269 1125393943 /nfs/dbraw/zinc/39/39/43/1125393943.db2.gz YMHCNONWLRFXQL-LLVKDONJSA-N 0 1 287.329 3.567 20 0 CHADMN CC(C)c1cnc(CNC[C@@]2(C)CC2(Cl)Cl)s1 ZINC000824773932 1131483109 /nfs/dbraw/zinc/48/31/09/1131483109.db2.gz OSPNHEDETSOPLQ-LLVKDONJSA-N 0 1 293.263 3.940 20 0 CHADMN CCOc1c(F)cc(CN2CC[C@@H](C)C2)cc1Cl ZINC001143734531 1131526946 /nfs/dbraw/zinc/52/69/46/1131526946.db2.gz QYODAELUQLZBBS-SNVBAGLBSA-N 0 1 271.763 3.720 20 0 CHADMN CO[C@H]1CCN(Cc2ccc(C(F)(F)F)c(Cl)c2)C1 ZINC001143803785 1131535546 /nfs/dbraw/zinc/53/55/46/1131535546.db2.gz AMRTYAQRWGJEQD-JTQLQIEISA-N 0 1 293.716 3.580 20 0 CHADMN COc1ccc(CN2CCCCC[C@@H]2C)c(F)c1F ZINC001143910152 1131552322 /nfs/dbraw/zinc/55/23/22/1131552322.db2.gz DJZSIRTZCZYVOE-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN FC(F)(F)[C@@H]1CCN(Cc2ccc3occc3c2)C1 ZINC001138825384 1131553280 /nfs/dbraw/zinc/55/32/80/1131553280.db2.gz YEEQAWAJDICWAM-GFCCVEGCSA-N 0 1 269.266 3.817 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844452690 1131562405 /nfs/dbraw/zinc/56/24/05/1131562405.db2.gz MLPHCVAFRIXNCJ-KPXOXKRLSA-N 0 1 257.711 3.598 20 0 CHADMN CCOc1c(F)cc(CN2CC[C@@H](CC)C2)cc1F ZINC001144036132 1131575389 /nfs/dbraw/zinc/57/53/89/1131575389.db2.gz CRHCIDLWUNOAIF-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN Cc1cc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)cnc1Cl ZINC001139542298 1131614867 /nfs/dbraw/zinc/61/48/67/1131614867.db2.gz BMHXIOLIIMGSSO-TXEJJXNPSA-N 0 1 286.753 3.521 20 0 CHADMN COc1c(Cl)cccc1CN1CCC[C@@H](CF)C1 ZINC001140067737 1131662062 /nfs/dbraw/zinc/66/20/62/1131662062.db2.gz QUGBWFFFCWVRLL-NSHDSACASA-N 0 1 271.763 3.530 20 0 CHADMN CC[N@@H+](Cc1cccs1)Cc1sccc1C(=O)[O-] ZINC001144680659 1131681607 /nfs/dbraw/zinc/68/16/07/1131681607.db2.gz SMCJVXDYRRIRLE-UHFFFAOYSA-N 0 1 281.402 3.530 20 0 CHADMN C[C@@H](N[C@@H]1CCC1(C)C)c1nc(Br)cs1 ZINC000834798523 1131705931 /nfs/dbraw/zinc/70/59/31/1131705931.db2.gz HVJIXPJMRPZYHP-HTQZYQBOSA-N 0 1 289.242 3.745 20 0 CHADMN COc1cccc(Cl)c1CN1CCC[C@@H](CF)C1 ZINC001140728913 1131899462 /nfs/dbraw/zinc/89/94/62/1131899462.db2.gz YDCXQMYIXQQPEW-NSHDSACASA-N 0 1 271.763 3.530 20 0 CHADMN CC(C)COCC[C@H](C)N1CCC[C@H]1c1nccs1 ZINC001172475491 1132226594 /nfs/dbraw/zinc/22/65/94/1132226594.db2.gz KCPAJRRGXYQXMB-KBPBESRZSA-N 0 1 282.453 3.731 20 0 CHADMN CCCN(Cc1c(Cl)nccc1OC)[C@@H](C)CC ZINC001232150750 1132427041 /nfs/dbraw/zinc/42/70/41/1132427041.db2.gz BNIFYXGHLGPVOJ-NSHDSACASA-N 0 1 270.804 3.754 20 0 CHADMN CCSC[C@@H](C)N[C@@H]1CCOc2cc(F)cc(F)c21 ZINC001173297438 1132445583 /nfs/dbraw/zinc/44/55/83/1132445583.db2.gz SUEZGMWZMKRNOF-BXKDBHETSA-N 0 1 287.375 3.520 20 0 CHADMN C[C@H]1CCCCCN1Cc1cc(O)cc(Br)c1 ZINC001232996182 1132559522 /nfs/dbraw/zinc/55/95/22/1132559522.db2.gz CPFYGAQPMSMCSB-NSHDSACASA-N 0 1 298.224 3.919 20 0 CHADMN C[C@H]1CCCN(Cc2cc(O)cc(Br)c2)[C@H]1C ZINC001232998102 1132560154 /nfs/dbraw/zinc/56/01/54/1132560154.db2.gz HFGBFRKGIQMDLB-QWRGUYRKSA-N 0 1 298.224 3.775 20 0 CHADMN COc1cc(Br)cc(CN2CCCC23CC3)c1 ZINC001233212744 1132582890 /nfs/dbraw/zinc/58/28/90/1132582890.db2.gz DJOVHKWXTKIPRE-UHFFFAOYSA-N 0 1 296.208 3.586 20 0 CHADMN CC[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(O)c1 ZINC001158375975 1132772525 /nfs/dbraw/zinc/77/25/25/1132772525.db2.gz JDHKXSIADZNEQI-ZYHUDNBSSA-N 0 1 281.783 3.602 20 0 CHADMN C[C@]1(O)CCCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001203803882 1133370712 /nfs/dbraw/zinc/37/07/12/1133370712.db2.gz IKLDSOOFXVGWQJ-AWEZNQCLSA-N 0 1 288.218 3.730 20 0 CHADMN C[C@]1(O)CCCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC001203803882 1133370716 /nfs/dbraw/zinc/37/07/16/1133370716.db2.gz IKLDSOOFXVGWQJ-AWEZNQCLSA-N 0 1 288.218 3.730 20 0 CHADMN C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2)C[C@@]1(C)O ZINC001203809173 1133372053 /nfs/dbraw/zinc/37/20/53/1133372053.db2.gz XPIILDYCMDDPQB-QMTHXVAHSA-N 0 1 288.218 3.586 20 0 CHADMN Clc1ccc(Cl)c(CN2CCC3(COC3)CC2)c1 ZINC001204563052 1133462018 /nfs/dbraw/zinc/46/20/18/1133462018.db2.gz WDPPIQGJZIXBIL-UHFFFAOYSA-N 0 1 286.202 3.606 20 0 CHADMN Cc1cc(CN2CC[C@@H](F)C(F)(F)CC2)ccc1F ZINC001205161190 1133539077 /nfs/dbraw/zinc/53/90/77/1133539077.db2.gz CBJHBLAXIYTREG-CYBMUJFWSA-N 0 1 275.289 3.703 20 0 CHADMN COC(=O)c1cc(CNC(C)(C)/C=C\Cl)[nH]c1C(C)C ZINC001207594886 1133826549 /nfs/dbraw/zinc/82/65/49/1133826549.db2.gz LIVLSLMCZVSFBY-SREVYHEPSA-N 0 1 298.814 3.545 20 0 CHADMN Cc1cc(C)c(NC2=CC[N@@H+](C)CC2)cc1Br ZINC001208910723 1133960959 /nfs/dbraw/zinc/96/09/59/1133960959.db2.gz UWJIZPYWMSPZDE-UHFFFAOYSA-N 0 1 295.224 3.697 20 0 CHADMN CCc1nccnc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210926701 1134328982 /nfs/dbraw/zinc/32/89/82/1134328982.db2.gz MLZMHRPTRGMBSG-UHFFFAOYSA-N 0 1 284.146 3.795 20 0 CHADMN Cn1cncc1Nc1cc(F)c(Cl)cc1Cl ZINC001211250720 1134399514 /nfs/dbraw/zinc/39/95/14/1134399514.db2.gz NUTFDPDTCPNAKY-UHFFFAOYSA-N 0 1 260.099 3.610 20 0 CHADMN OCc1cc(Nc2c(F)ccc(Cl)c2Cl)ccn1 ZINC001214504721 1134546299 /nfs/dbraw/zinc/54/62/99/1134546299.db2.gz HTZGOSIGCXWJTB-UHFFFAOYSA-N 0 1 287.121 3.763 20 0 CHADMN Oc1c(Cl)ccc(Nc2cnn(C(F)F)c2)c1F ZINC001214798669 1134572919 /nfs/dbraw/zinc/57/29/19/1134572919.db2.gz ZJFAARPCLXNAAR-UHFFFAOYSA-N 0 1 277.633 3.520 20 0 CHADMN COc1ccccc1Nc1ccc(Cl)c(O)c1F ZINC001214797919 1134573677 /nfs/dbraw/zinc/57/36/77/1134573677.db2.gz JUKRRKQTQNBPJI-UHFFFAOYSA-N 0 1 267.687 3.937 20 0 CHADMN Oc1ccc(F)c(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214802147 1134574776 /nfs/dbraw/zinc/57/47/76/1134574776.db2.gz VZMCWVKGSCCWOB-UHFFFAOYSA-N 0 1 271.650 3.773 20 0 CHADMN CCCCCCc1nnc(C(N)(CCC)CCC)o1 ZINC001217733957 1134993541 /nfs/dbraw/zinc/99/35/41/1134993541.db2.gz KJABQEJXLXFWOE-UHFFFAOYSA-N 0 1 267.417 3.947 20 0 CHADMN CCCCCC[C@@H](CCCC)OCCN1CCN(C)CC1 ZINC001224548652 1135459624 /nfs/dbraw/zinc/45/96/24/1135459624.db2.gz DWOVMVNXBYMHCX-GOSISDBHSA-N 0 1 298.515 3.780 20 0 CHADMN CCN1CC[C@H](Oc2cc(C(F)(F)F)ccc2Cl)C1 ZINC001225324787 1135543511 /nfs/dbraw/zinc/54/35/11/1135543511.db2.gz RMXFEOGKZNNFRH-JTQLQIEISA-N 0 1 293.716 3.832 20 0 CHADMN CC(C)[N@H+]1CC[C@@H](Oc2cc(Cl)c(O)cc2Cl)C1 ZINC001227640421 1135852099 /nfs/dbraw/zinc/85/20/99/1135852099.db2.gz BCZIFQLJOHWLMO-SECBINFHSA-N 0 1 290.190 3.561 20 0 CHADMN CC(C)[N@@H+]1CC[C@@H](Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227640421 1135852103 /nfs/dbraw/zinc/85/21/03/1135852103.db2.gz BCZIFQLJOHWLMO-SECBINFHSA-N 0 1 290.190 3.561 20 0 CHADMN CC(C)[N@H+]1CC[C@@H](Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227640421 1135852106 /nfs/dbraw/zinc/85/21/06/1135852106.db2.gz BCZIFQLJOHWLMO-SECBINFHSA-N 0 1 290.190 3.561 20 0 CHADMN Cc1cccc(CN2C[C@H](C)[C@H]2c2ccccc2)n1 ZINC000348305969 1125508792 /nfs/dbraw/zinc/50/87/92/1125508792.db2.gz LHFNJFGIHDTVQR-GUYCJALGSA-N 0 1 252.361 3.583 20 0 CHADMN Cc1cc([C@H](C)NCc2cccc(C)n2)c(C)s1 ZINC000051574728 1125511419 /nfs/dbraw/zinc/51/14/19/1125511419.db2.gz CILYINPUKUAMCK-LBPRGKRZSA-N 0 1 260.406 3.919 20 0 CHADMN CCC(CC)[C@@H](NC(=O)C(F)(F)F)c1cccs1 ZINC000729330396 1125513485 /nfs/dbraw/zinc/51/34/85/1125513485.db2.gz CKKIQFUUEVUWJI-SNVBAGLBSA-N 0 1 279.327 3.904 20 0 CHADMN CC(C)N(CC(=O)Nc1ccc(F)cc1)[C@@H]1C=CCCC1 ZINC000532688584 1125513530 /nfs/dbraw/zinc/51/35/30/1125513530.db2.gz RZKJYIUKAZZKLH-MRXNPFEDSA-N 0 1 290.382 3.583 20 0 CHADMN CCCOc1ccc2c(c1)CCN([C@H](C)c1ccccn1)C2 ZINC000134523421 1125518931 /nfs/dbraw/zinc/51/89/31/1125518931.db2.gz YKSXJKGUUCULKZ-OAHLLOKOSA-N 0 1 296.414 3.990 20 0 CHADMN C[C@H]1SCCN(Cc2cccnc2)[C@@H]1c1ccccc1 ZINC000118534552 1125523219 /nfs/dbraw/zinc/52/32/19/1125523219.db2.gz JNDWEPCEUPJGHM-PBHICJAKSA-N 0 1 284.428 3.760 20 0 CHADMN CCc1ccc(-c2noc(CN(C)[C@H]3CC[C@H](C)C3)n2)cc1 ZINC000429565953 1125526400 /nfs/dbraw/zinc/52/64/00/1125526400.db2.gz IWCUNKZFIYEWIA-BBRMVZONSA-N 0 1 299.418 3.919 20 0 CHADMN CCc1ccc(-c2noc(CN(C)[C@@H]3CC[C@@H](C)C3)n2)cc1 ZINC000429565957 1125526568 /nfs/dbraw/zinc/52/65/68/1125526568.db2.gz IWCUNKZFIYEWIA-CZUORRHYSA-N 0 1 299.418 3.919 20 0 CHADMN C[C@@H](c1nc2ccccc2s1)N(C)CCCF ZINC000136280779 1125528769 /nfs/dbraw/zinc/52/87/69/1125528769.db2.gz PTFAKCPOVMPFJY-JTQLQIEISA-N 0 1 252.358 3.649 20 0 CHADMN CCn1cc(CNC(C)(C)c2cccc(Cl)c2)cn1 ZINC000119379764 1125532431 /nfs/dbraw/zinc/53/24/31/1125532431.db2.gz PJUHMXSCJVYVTD-UHFFFAOYSA-N 0 1 277.799 3.581 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@H](c3ccc(C)cc3C)C2)o1 ZINC000348315363 1125534652 /nfs/dbraw/zinc/53/46/52/1125534652.db2.gz IUCQIJJTILULRL-GJZGRUSLSA-N 0 1 299.418 3.799 20 0 CHADMN O=C(Nc1nc2cc(Cl)c(F)cc2[nH]1)[C@@H]1CC=CCC1 ZINC000622212836 1129238632 /nfs/dbraw/zinc/23/86/32/1129238632.db2.gz HLQBLDCVCXLZSQ-MRVPVSSYSA-N 0 1 293.729 3.650 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)C(C)(C)C)C3)[nH]c2c1 ZINC000120198225 1125542542 /nfs/dbraw/zinc/54/25/42/1125542542.db2.gz LVQKBMGJZCXACQ-CYBMUJFWSA-N 0 1 299.418 3.623 20 0 CHADMN CCN1CCC[C@@H](Oc2cc(C)c(Cl)cc2C(C)=O)C1 ZINC001229363242 1125546406 /nfs/dbraw/zinc/54/64/06/1125546406.db2.gz YQLPCSTXFWVBCE-CYBMUJFWSA-N 0 1 295.810 3.714 20 0 CHADMN C[C@H](c1ccc(F)cc1F)[N@@H+](C)CCC1CCOCC1 ZINC000120610113 1125549208 /nfs/dbraw/zinc/54/92/08/1125549208.db2.gz KTSDLEUUMGTIKC-GFCCVEGCSA-N 0 1 283.362 3.774 20 0 CHADMN COc1cc([C@H](C)NCc2ccco2)ccc1OC(F)F ZINC000120604435 1125549785 /nfs/dbraw/zinc/54/97/85/1125549785.db2.gz MJFBPZXQEXFIES-JTQLQIEISA-N 0 1 297.301 3.740 20 0 CHADMN CC(=O)CC[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000120972595 1125553830 /nfs/dbraw/zinc/55/38/30/1125553830.db2.gz GAHCZLDICFYGNY-LBPRGKRZSA-N 0 1 268.426 3.547 20 0 CHADMN CC(=O)CCN(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000120972595 1125553835 /nfs/dbraw/zinc/55/38/35/1125553835.db2.gz GAHCZLDICFYGNY-LBPRGKRZSA-N 0 1 268.426 3.547 20 0 CHADMN O=C(Nc1nc(C2CC2)cs1)c1cc(Cl)ccc1O ZINC000025560576 1125554836 /nfs/dbraw/zinc/55/48/36/1125554836.db2.gz KSHVQZWPPGNNLM-UHFFFAOYSA-N 0 1 294.763 3.632 20 0 CHADMN Cc1ccc2nc(CN(C)C3CC(F)(F)C3)ccc2c1 ZINC001137209625 1125565021 /nfs/dbraw/zinc/56/50/21/1125565021.db2.gz MDTXGHNYCYPPDN-UHFFFAOYSA-N 0 1 276.330 3.773 20 0 CHADMN CC(C)CN(C(=O)c1cc(-c2ccccc2)[nH]n1)C(C)C ZINC000195525704 1125565167 /nfs/dbraw/zinc/56/51/67/1125565167.db2.gz UNBLSZHGQDUXRH-UHFFFAOYSA-N 0 1 285.391 3.583 20 0 CHADMN CN(CCC1CC1)CC(=O)Nc1ccc2ccccc2c1 ZINC000135310718 1125584474 /nfs/dbraw/zinc/58/44/74/1125584474.db2.gz JXLJLELUOXMRCU-UHFFFAOYSA-N 0 1 282.387 3.510 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)NOCC(C)C)c1ccccc1 ZINC000135344624 1125586612 /nfs/dbraw/zinc/58/66/12/1125586612.db2.gz DLJLCGGRVOYCKE-HIFRSBDPSA-N 0 1 263.381 3.520 20 0 CHADMN CCc1ccccc1NCc1ccc2nc[nH]c2c1 ZINC000532890860 1125587059 /nfs/dbraw/zinc/58/70/59/1125587059.db2.gz KXXDGLLQNKSKJY-UHFFFAOYSA-N 0 1 251.333 3.737 20 0 CHADMN CCC(=O)Nc1ccc(NCc2ccc3nc[nH]c3c2)cc1 ZINC000532889171 1125587071 /nfs/dbraw/zinc/58/70/71/1125587071.db2.gz YHIPEQDEOHXGIO-UHFFFAOYSA-N 0 1 294.358 3.524 20 0 CHADMN Fc1cc(Cl)cc(NCc2ccc3nc[nH]c3c2)c1 ZINC000532890658 1125587242 /nfs/dbraw/zinc/58/72/42/1125587242.db2.gz ONBWUHOFRPIGBG-UHFFFAOYSA-N 0 1 275.714 3.968 20 0 CHADMN CCN(Cc1cnc2ccccn12)Cc1ccc(C)cc1 ZINC000532929481 1125588453 /nfs/dbraw/zinc/58/84/53/1125588453.db2.gz ZEPCYUGXLWWZLK-UHFFFAOYSA-N 0 1 279.387 3.665 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)NOC1CCCC1)c1ccccc1 ZINC000135688733 1125595008 /nfs/dbraw/zinc/59/50/08/1125595008.db2.gz VNQDGCMHIKKTNS-XJKSGUPXSA-N 0 1 275.392 3.807 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H](C)c1cnn(C2CCC2)c1 ZINC000925291584 1125610938 /nfs/dbraw/zinc/61/09/38/1125610938.db2.gz COXWROSMIPOHTF-KBPBESRZSA-N 0 1 284.407 3.723 20 0 CHADMN Clc1cnccc1CN1CCS[C@@H]2CCCC[C@H]21 ZINC000246222754 1125612188 /nfs/dbraw/zinc/61/21/88/1125612188.db2.gz ZTECAHQKCXQXQO-ZIAGYGMSSA-N 0 1 282.840 3.595 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CCC[C@]2(CC=CCC2)C1 ZINC000246369305 1125621246 /nfs/dbraw/zinc/62/12/46/1125621246.db2.gz LVJSGBNFRLMRNZ-CXAGYDPISA-N 0 1 287.407 3.830 20 0 CHADMN CC(C)(C)Oc1cccc(CNCc2cccs2)n1 ZINC000348354682 1125622000 /nfs/dbraw/zinc/62/20/00/1125622000.db2.gz WJDAFBVVWMJRDZ-UHFFFAOYSA-N 0 1 276.405 3.610 20 0 CHADMN Cc1n[nH]c(CN[C@@H](C)c2ccc(OC(C)C)cc2)c1C ZINC000885924668 1125626853 /nfs/dbraw/zinc/62/68/53/1125626853.db2.gz TZSSLZXIOZEDNU-AWEZNQCLSA-N 0 1 287.407 3.665 20 0 CHADMN Cc1[nH]nc(CNc2ccc(C(C)(C)C)cc2)c1C ZINC000885929542 1125627293 /nfs/dbraw/zinc/62/72/93/1125627293.db2.gz SDJQIJVNEHXKBG-UHFFFAOYSA-N 0 1 257.381 3.936 20 0 CHADMN CCOc1ccccc1[C@@H](CC)NCc1[nH]nc(C)c1C ZINC000885961410 1125630484 /nfs/dbraw/zinc/63/04/84/1125630484.db2.gz XJGHZIRMLWQPSN-OAHLLOKOSA-N 0 1 287.407 3.666 20 0 CHADMN O=C(Nc1ccc(F)cc1F)c1cn[nH]c1-c1ccccc1 ZINC000071008238 1125631929 /nfs/dbraw/zinc/63/19/29/1125631929.db2.gz SYQXLOHJRFIQCE-UHFFFAOYSA-N 0 1 299.280 3.607 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1Cc1nc([C@@H](C)OCC)no1 ZINC000072775309 1125634732 /nfs/dbraw/zinc/63/47/32/1125634732.db2.gz AJARYHANCWYADO-MJBXVCDLSA-N 0 1 295.427 3.568 20 0 CHADMN Cc1nc(CNC/C=C/c2cccc(F)c2)sc1C ZINC000886005639 1125635857 /nfs/dbraw/zinc/63/58/57/1125635857.db2.gz GSNCPHCDKCZBSO-GQCTYLIASA-N 0 1 276.380 3.702 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1Cc1nc(C(C)C)no1 ZINC000072776211 1125636684 /nfs/dbraw/zinc/63/66/84/1125636684.db2.gz VWWYNDHVROPVII-STQMWFEESA-N 0 1 265.401 3.594 20 0 CHADMN CSc1cccc(NCc2n[nH]c(C)c2C)c1C ZINC000886057034 1125641865 /nfs/dbraw/zinc/64/18/65/1125641865.db2.gz CUJXFNPEFQIOLZ-UHFFFAOYSA-N 0 1 261.394 3.669 20 0 CHADMN CCC[C@H](NCc1[nH]nc(C)c1C)c1ccc(F)cc1F ZINC000886019574 1125637853 /nfs/dbraw/zinc/63/78/53/1125637853.db2.gz XCMGOFOIKCRPLB-HNNXBMFYSA-N 0 1 293.361 3.936 20 0 CHADMN CCC[C@H](NCc1n[nH]c(C)c1C)c1ccc(F)cc1F ZINC000886019574 1125637857 /nfs/dbraw/zinc/63/78/57/1125637857.db2.gz XCMGOFOIKCRPLB-HNNXBMFYSA-N 0 1 293.361 3.936 20 0 CHADMN c1c(CN2CCC[C@@H]2c2ccccc2)nc2ccccn12 ZINC000073368787 1125637997 /nfs/dbraw/zinc/63/79/97/1125637997.db2.gz QUOFSAKPKUAPBJ-QGZVFWFLSA-N 0 1 277.371 3.671 20 0 CHADMN CCCC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000073434491 1125638107 /nfs/dbraw/zinc/63/81/07/1125638107.db2.gz IPPPIXPEJNLVOK-SFHVURJKSA-N 0 1 293.370 3.569 20 0 CHADMN C[C@@H]1c2ccccc2CN1C[C@H]1CC[C@H](C2CC2)O1 ZINC000886031026 1125638859 /nfs/dbraw/zinc/63/88/59/1125638859.db2.gz ZWPYSJSLDJVXJS-SRCQZFHVSA-N 0 1 257.377 3.521 20 0 CHADMN c1c[nH]c([C@H]2CCC[N@@H+]2CCOC2CCCCC2)c1 ZINC000886049467 1125640786 /nfs/dbraw/zinc/64/07/86/1125640786.db2.gz MZKNYHLMGXOAMP-MRXNPFEDSA-N 0 1 262.397 3.501 20 0 CHADMN COCC[C@H](NC/C=C/c1cccc(F)c1)c1ccco1 ZINC000886059791 1125641756 /nfs/dbraw/zinc/64/17/56/1125641756.db2.gz LUAQOXSATZUISY-GIZXNFQBSA-N 0 1 289.350 3.799 20 0 CHADMN CCN(C(=O)c1cccc2nc(C)[nH]c21)c1cccc(C)c1 ZINC000074732694 1125642752 /nfs/dbraw/zinc/64/27/52/1125642752.db2.gz XASZTUJYBYRQKB-UHFFFAOYSA-N 0 1 293.370 3.846 20 0 CHADMN CC[C@@](C)(NC[C@H]1CCC2(CCC2)CO1)c1nccs1 ZINC000886070949 1125644538 /nfs/dbraw/zinc/64/45/38/1125644538.db2.gz YEQSIJWNIRBQPQ-UKRRQHHQSA-N 0 1 294.464 3.707 20 0 CHADMN FC(F)(F)C1=CCN(C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000886085543 1125645006 /nfs/dbraw/zinc/64/50/06/1125645006.db2.gz AJMOTVYJCKVSGO-CYBMUJFWSA-N 0 1 289.341 3.530 20 0 CHADMN CCS[C@H]1CCCCN([C@H](C)c2nc(C3CC3)no2)C1 ZINC000246620941 1125645804 /nfs/dbraw/zinc/64/58/04/1125645804.db2.gz MSDRKFVWADDCBE-YPMHNXCESA-N 0 1 295.452 3.616 20 0 CHADMN CCCCn1ncc(NCc2n[nH]c(C)c2C)c1C(C)C ZINC000886090495 1125645873 /nfs/dbraw/zinc/64/58/73/1125645873.db2.gz ZTMADJBIEWRYLV-UHFFFAOYSA-N 0 1 289.427 3.759 20 0 CHADMN Oc1cccc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000282947425 1125648535 /nfs/dbraw/zinc/64/85/35/1125648535.db2.gz GWXMSVPLEKQYMY-AWEZNQCLSA-N 0 1 299.336 3.947 20 0 CHADMN C[C@@H]1CN(Cc2cscn2)CC[C@H]1c1ccccc1 ZINC000246765156 1125649164 /nfs/dbraw/zinc/64/91/64/1125649164.db2.gz NUYOMWLLINSKKO-CZUORRHYSA-N 0 1 272.417 3.769 20 0 CHADMN CCCN(Cc1nccs1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000246833209 1125650544 /nfs/dbraw/zinc/65/05/44/1125650544.db2.gz OHXBZDGIGMGHLN-QWHCGFSZSA-N 0 1 282.453 3.559 20 0 CHADMN CC[C@@H](NC[C@@H]1CCC2(CCC2)CO1)c1nc(C)cs1 ZINC000886125349 1125653024 /nfs/dbraw/zinc/65/30/24/1125653024.db2.gz OZDDJWFGQFUYKX-UONOGXRCSA-N 0 1 294.464 3.842 20 0 CHADMN C[C@@H]1C[C@@H](c2cccnc2)N(CCSC(F)(F)F)C1 ZINC000886134397 1125654054 /nfs/dbraw/zinc/65/40/54/1125654054.db2.gz RDCFOCGRUPYILX-PWSUYJOCSA-N 0 1 290.354 3.718 20 0 CHADMN C[C@@H]1C[C@H](c2cccnc2)N(CCSC(F)(F)F)C1 ZINC000886134398 1125654067 /nfs/dbraw/zinc/65/40/67/1125654067.db2.gz RDCFOCGRUPYILX-ZYHUDNBSSA-N 0 1 290.354 3.718 20 0 CHADMN CCc1nc([C@H](C)NC[C@H]2CCC3(CCC3)CO2)cs1 ZINC000886129734 1125654084 /nfs/dbraw/zinc/65/40/84/1125654084.db2.gz MHLYXHIDBGJZHL-QWHCGFSZSA-N 0 1 294.464 3.705 20 0 CHADMN Cc1[nH]nc(CNc2cccc(NCC(F)(F)F)c2)c1C ZINC000886149801 1125656343 /nfs/dbraw/zinc/65/63/43/1125656343.db2.gz YUHCTCABTJGRAR-UHFFFAOYSA-N 0 1 298.312 3.613 20 0 CHADMN c1sc(-c2ccccn2)nc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000247571470 1125657507 /nfs/dbraw/zinc/65/75/07/1125657507.db2.gz RVEVNLBPOPQTHV-XJKSGUPXSA-N 0 1 299.443 3.970 20 0 CHADMN CCc1nc(CN(C[C@@H]2CCCO2)C2CCCC2)cs1 ZINC000075831776 1125658268 /nfs/dbraw/zinc/65/82/68/1125658268.db2.gz VMUGIFJVOPWYES-HNNXBMFYSA-N 0 1 294.464 3.629 20 0 CHADMN C[C@@H]1CCN(Cc2ccncc2)[C@@H](c2ccco2)C1 ZINC000247506518 1125658423 /nfs/dbraw/zinc/65/84/23/1125658423.db2.gz MDKCFIGFPOFWGA-UKRRQHHQSA-N 0 1 256.349 3.648 20 0 CHADMN CCCOc1ccc(NCc2n[nH]c(C)c2C)cc1F ZINC000886171493 1125658449 /nfs/dbraw/zinc/65/84/49/1125658449.db2.gz HVXDGLKSXZXWGD-UHFFFAOYSA-N 0 1 277.343 3.567 20 0 CHADMN Fc1ccc(/C=C\CNCc2cc(C3CC3)no2)cc1F ZINC000886270749 1125664052 /nfs/dbraw/zinc/66/40/52/1125664052.db2.gz LWILSPZMZCTUNR-UPHRSURJSA-N 0 1 290.313 3.633 20 0 CHADMN C[C@H](c1nnc(-c2ccccc2)o1)N1CCC(C)(C)C1 ZINC000076014516 1125664813 /nfs/dbraw/zinc/66/48/13/1125664813.db2.gz PTAVUSSSCRMWST-GFCCVEGCSA-N 0 1 271.364 3.530 20 0 CHADMN Fc1ccc([C@@H]2CCN2C[C@@H]2CC[C@H](C3CC3)O2)cc1 ZINC000886278881 1125666099 /nfs/dbraw/zinc/66/60/99/1125666099.db2.gz KZEADSNQSPPJRX-YESZJQIVSA-N 0 1 275.367 3.530 20 0 CHADMN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNCc1ncc(C(F)(F)F)s1 ZINC000886281202 1125666742 /nfs/dbraw/zinc/66/67/42/1125666742.db2.gz UPJJKNVPZFXTFX-KATARQTJSA-N 0 1 290.354 3.544 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCC[C@@H]1C ZINC000076117823 1125669152 /nfs/dbraw/zinc/66/91/52/1125669152.db2.gz LGHZXJDSWUMNEC-LSDHHAIUSA-N 0 1 288.435 3.930 20 0 CHADMN CC[C@H](NCc1cn(C)cn1)c1cccc2ccccc21 ZINC000886361709 1125672482 /nfs/dbraw/zinc/67/24/82/1125672482.db2.gz SJLKPPXFGLYJML-SFHVURJKSA-N 0 1 279.387 3.814 20 0 CHADMN Cc1ncccc1CNC(C)(C)c1ccc(F)cc1F ZINC000886350370 1125672511 /nfs/dbraw/zinc/67/25/11/1125672511.db2.gz SEAVBLQDBVBDLP-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN1CCC[C@H]1c1nncn1C ZINC000248645244 1125672637 /nfs/dbraw/zinc/67/26/37/1125672637.db2.gz GCVFIHPSSGFWKM-CVEARBPZSA-N 0 1 290.455 3.725 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1ccc(Cl)nc1 ZINC000886364363 1125674656 /nfs/dbraw/zinc/67/46/56/1125674656.db2.gz XVHFKJUHUIAUGC-CQSZACIVSA-N 0 1 276.742 3.651 20 0 CHADMN CC(C)[C@@H](Cc1ccccc1)NCc1nc(C2CCC2)no1 ZINC000886422066 1125677694 /nfs/dbraw/zinc/67/76/94/1125677694.db2.gz BMQRDXRISPICQJ-MRXNPFEDSA-N 0 1 299.418 3.694 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCCCCC2)[C@H]2CCC[C@H]21 ZINC000629373544 1125679283 /nfs/dbraw/zinc/67/92/83/1125679283.db2.gz JHQXSORDHPEHEG-XHSDSOJGSA-N 0 1 279.424 3.532 20 0 CHADMN CC(C)[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)c1cnn(C)c1 ZINC000886507744 1125681113 /nfs/dbraw/zinc/68/11/13/1125681113.db2.gz XDXDVIIUQQBCJR-VMGRFDJRSA-N 0 1 287.407 3.623 20 0 CHADMN C[C@@H]1CCN(Cc2cscn2)[C@@H]1c1ccccc1 ZINC000886545024 1125688703 /nfs/dbraw/zinc/68/87/03/1125688703.db2.gz FSEKLAAORWTTBY-DOMZBBRYSA-N 0 1 258.390 3.726 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@@H]1CCc2cccnc21 ZINC000886592379 1125695379 /nfs/dbraw/zinc/69/53/79/1125695379.db2.gz RHZLYLMXUQKTTR-MLGOLLRUSA-N 0 1 298.434 3.680 20 0 CHADMN CC(C)c1cccc(CN[C@@H]2CCc3cccnc32)c1 ZINC000886594646 1125695530 /nfs/dbraw/zinc/69/55/30/1125695530.db2.gz QVJFSSYOOOETGH-QGZVFWFLSA-N 0 1 266.388 3.982 20 0 CHADMN Cc1oc2ccccc2c1CN[C@@H]1CCc2cccnc21 ZINC000886592358 1125695847 /nfs/dbraw/zinc/69/58/47/1125695847.db2.gz QWFCRMFUYGMOGH-MRXNPFEDSA-N 0 1 278.355 3.913 20 0 CHADMN Cc1cc(Cl)nc(CN[C@H](C)c2ccsc2)c1 ZINC000282963946 1125699708 /nfs/dbraw/zinc/69/97/08/1125699708.db2.gz ZUZGBVULHZDOOH-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1nc(C2CCN(CC=C(Cl)Cl)CC2)[nH]c1C ZINC000886659971 1125703867 /nfs/dbraw/zinc/70/38/67/1125703867.db2.gz ZWRABXCFBSGWIJ-UHFFFAOYSA-N 0 1 288.222 3.525 20 0 CHADMN CCSc1ccc(CN[C@H]2CCc3cccnc32)cc1 ZINC000886650283 1125704545 /nfs/dbraw/zinc/70/45/45/1125704545.db2.gz SZQLANGILUJHGI-INIZCTEOSA-N 0 1 284.428 3.971 20 0 CHADMN CC[C@H](N[C@H](C)c1nncn1C)c1cccc2ccccc21 ZINC000886919853 1125724231 /nfs/dbraw/zinc/72/42/31/1125724231.db2.gz YHPMGOFVTSYDHS-DYVFJYSZSA-N 0 1 294.402 3.770 20 0 CHADMN CC[C@@H](NCc1cnns1)c1cccc2ccccc21 ZINC000886919307 1125724247 /nfs/dbraw/zinc/72/42/47/1125724247.db2.gz HHAQRYQBYQQUAT-MRXNPFEDSA-N 0 1 283.400 3.932 20 0 CHADMN C[C@@H](NCc1cccc(OCC(F)F)c1)c1ccco1 ZINC000089543566 1125735631 /nfs/dbraw/zinc/73/56/31/1125735631.db2.gz DSSAFMWXKKFFSR-LLVKDONJSA-N 0 1 281.302 3.774 20 0 CHADMN CC[C@@H](NCc1c(C)noc1C)c1cccc(C)c1 ZINC000286198162 1125735767 /nfs/dbraw/zinc/73/57/67/1125735767.db2.gz RNNITLCAAKHSDA-MRXNPFEDSA-N 0 1 258.365 3.841 20 0 CHADMN C[C@H](c1ncc(-c2ccccc2)o1)N1CCCSCC1 ZINC000089986208 1125738393 /nfs/dbraw/zinc/73/83/93/1125738393.db2.gz BVPADBYQKJQBAN-CYBMUJFWSA-N 0 1 288.416 3.842 20 0 CHADMN CCCCN(CC)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000622276686 1129244240 /nfs/dbraw/zinc/24/42/40/1129244240.db2.gz CSJIEVKTOPEHJA-UHFFFAOYSA-N 0 1 299.418 3.956 20 0 CHADMN Cc1ccc(Cl)c(NC(=O)c2cccc3cn[nH]c32)c1 ZINC000162253644 1125744101 /nfs/dbraw/zinc/74/41/01/1125744101.db2.gz ZKMCPTVHJSHHKP-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN COc1cc(C)cc(CN[C@@H](C)c2ccccc2OC)c1 ZINC000090723666 1125744994 /nfs/dbraw/zinc/74/49/94/1125744994.db2.gz TVNAXNHGBDGAKH-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@@H]2NCc1cccc(N(C)C)n1 ZINC000090852259 1125747246 /nfs/dbraw/zinc/74/72/46/1125747246.db2.gz DKHVUNWTRIFRSB-PBHICJAKSA-N 0 1 295.430 3.794 20 0 CHADMN Clc1ccc([C@H]2CCN2CCC[C@H]2CCO2)cc1 ZINC000638124747 1129244421 /nfs/dbraw/zinc/24/44/21/1129244421.db2.gz UYQWPDAWDCSVRH-LSDHHAIUSA-N 0 1 265.784 3.656 20 0 CHADMN CN(CCCF)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000887137289 1125751121 /nfs/dbraw/zinc/75/11/21/1125751121.db2.gz BHVOOOHAFRGGTF-UHFFFAOYSA-N 0 1 282.746 3.786 20 0 CHADMN C[C@@H](c1nc2ccccc2n1C(F)F)N(C)CCCF ZINC000887137924 1125751802 /nfs/dbraw/zinc/75/18/02/1125751802.db2.gz YELMXMIMWKESSD-JTQLQIEISA-N 0 1 285.313 3.784 20 0 CHADMN CN(CCCF)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000887138932 1125752627 /nfs/dbraw/zinc/75/26/27/1125752627.db2.gz RSJRVYIHGCIVID-UHFFFAOYSA-N 0 1 290.260 3.638 20 0 CHADMN C[C@H](CCOCc1ccccc1)N[C@@H](C)c1cscn1 ZINC000286861493 1125753267 /nfs/dbraw/zinc/75/32/67/1125753267.db2.gz BBXVPOCXTXJWHB-KGLIPLIRSA-N 0 1 290.432 3.789 20 0 CHADMN CCN(Cc1cnn(C)c1)Cc1cc2ccccc2s1 ZINC000092437743 1125757668 /nfs/dbraw/zinc/75/76/68/1125757668.db2.gz CARMMZNXURFDSW-UHFFFAOYSA-N 0 1 285.416 3.657 20 0 CHADMN C[C@@H](NCc1ccnc(OC2CCCC2)c1)c1cccnc1 ZINC000092738854 1125760513 /nfs/dbraw/zinc/76/05/13/1125760513.db2.gz QEFIWRSGJKEVKI-CQSZACIVSA-N 0 1 297.402 3.649 20 0 CHADMN CCN(CCCN[C@@H](C)c1nccs1)c1ccccc1 ZINC000093370517 1125768161 /nfs/dbraw/zinc/76/81/61/1125768161.db2.gz XVJWSRGYQNYDJO-AWEZNQCLSA-N 0 1 289.448 3.710 20 0 CHADMN Cc1cccc(C2=CCN(Cc3ccccn3)CC2)c1 ZINC000092822266 1125762287 /nfs/dbraw/zinc/76/22/87/1125762287.db2.gz FLFYYXURAFHYFY-UHFFFAOYSA-N 0 1 264.372 3.679 20 0 CHADMN COc1cncc(CN2CCCC[C@H]2c2ccccc2)c1 ZINC000343690050 1125762494 /nfs/dbraw/zinc/76/24/94/1125762494.db2.gz MFIIXKKWHMRYPT-SFHVURJKSA-N 0 1 282.387 3.817 20 0 CHADMN Cc1cccnc1CN(Cc1ccco1)C1CCCC1 ZINC000093159443 1125767049 /nfs/dbraw/zinc/76/70/49/1125767049.db2.gz ISKBYABUZQGQDH-UHFFFAOYSA-N 0 1 270.376 3.928 20 0 CHADMN C[C@H](NCCOc1ccc(Cl)cc1)c1nccs1 ZINC000093401956 1125768768 /nfs/dbraw/zinc/76/87/68/1125768768.db2.gz PSOCVDQYTGJEGK-JTQLQIEISA-N 0 1 282.796 3.526 20 0 CHADMN C[C@@H](N[C@@H]1CCC1(C)C)c1ncc(Br)s1 ZINC000287136782 1125769451 /nfs/dbraw/zinc/76/94/51/1125769451.db2.gz RZLPFWAISAZVJR-HTQZYQBOSA-N 0 1 289.242 3.745 20 0 CHADMN C[C@@H](N[C@H]1CCC1(C)C)c1ncc(Br)s1 ZINC000287136792 1125770097 /nfs/dbraw/zinc/77/00/97/1125770097.db2.gz RZLPFWAISAZVJR-SFYZADRCSA-N 0 1 289.242 3.745 20 0 CHADMN Cc1nn(C)cc1CN(Cc1ccoc1)C1CCCCC1 ZINC000093581904 1125770499 /nfs/dbraw/zinc/77/04/99/1125770499.db2.gz PCODERNVTYBTKF-UHFFFAOYSA-N 0 1 287.407 3.656 20 0 CHADMN FC(F)Oc1cccc([C@H]2CN(C3CCCC3)CCO2)c1 ZINC000093865570 1125775004 /nfs/dbraw/zinc/77/50/04/1125775004.db2.gz SRQVUISYVMHSMJ-OAHLLOKOSA-N 0 1 297.345 3.604 20 0 CHADMN Fc1ncccc1CN1CCCC[C@H]1c1ccccc1 ZINC001138783011 1129246506 /nfs/dbraw/zinc/24/65/06/1129246506.db2.gz KEEBOUBQFKUWFN-INIZCTEOSA-N 0 1 270.351 3.948 20 0 CHADMN CCOc1ccc(C)c(CN(C)C2CC(F)(F)C2)c1 ZINC001238704668 1131234369 /nfs/dbraw/zinc/23/43/69/1131234369.db2.gz KXMHCUIWKYPKMM-UHFFFAOYSA-N 0 1 269.335 3.623 20 0 CHADMN CCN(CCOC1CCCCCC1)Cc1ccoc1 ZINC000740875971 1129422226 /nfs/dbraw/zinc/42/22/26/1129422226.db2.gz KIPYXPKBSYAONN-UHFFFAOYSA-N 0 1 265.397 3.841 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2nccnc2C)o1 ZINC000621719785 1129185517 /nfs/dbraw/zinc/18/55/17/1129185517.db2.gz WOAXPZGSEJGZFF-BLLLJJGKSA-N 0 1 285.391 3.660 20 0 CHADMN CCOc1ccc(C)c(CN2CCCC[C@@H](F)C2)c1 ZINC001238705527 1131235472 /nfs/dbraw/zinc/23/54/72/1131235472.db2.gz RZOFNXAJRJBQNI-OAHLLOKOSA-N 0 1 265.372 3.718 20 0 CHADMN CCOCCNCc1c(Cl)ccc(Cl)c1Cl ZINC000037269225 1129599259 /nfs/dbraw/zinc/59/92/59/1129599259.db2.gz XQIZTSCYNDYSIE-UHFFFAOYSA-N 0 1 282.598 3.773 20 0 CHADMN CCCCCCc1ccc(CN2CC3(COC3)C2)s1 ZINC001238713057 1131235971 /nfs/dbraw/zinc/23/59/71/1131235971.db2.gz HUECKXPRMDXOJA-UHFFFAOYSA-N 0 1 279.449 3.703 20 0 CHADMN CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](CCCCCC(=O)[O-])C1 ZINC000652451519 1129765595 /nfs/dbraw/zinc/76/55/95/1129765595.db2.gz ZTAIODNJNSBBBE-GJZGRUSLSA-N 0 1 281.440 3.780 20 0 CHADMN CCCc1nc(CN[C@@H](CC)[C@@H]2CCCCO2)cs1 ZINC000653880913 1129799875 /nfs/dbraw/zinc/79/98/75/1129799875.db2.gz RQVHIFYWMJOPFY-KBPBESRZSA-N 0 1 282.453 3.533 20 0 CHADMN O=C(Nc1ccc(F)cc1F)c1c(O)cccc1Cl ZINC000769591000 1129918423 /nfs/dbraw/zinc/91/84/23/1129918423.db2.gz BLTHPJNXPUFJBJ-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN CC(C)c1ccc(CN2CC[C@H](C)C2)c(Cl)n1 ZINC001238721140 1131236412 /nfs/dbraw/zinc/23/64/12/1131236412.db2.gz FRUDGXVJGCLOIA-NSHDSACASA-N 0 1 252.789 3.700 20 0 CHADMN CCCCC[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000901721360 1129945919 /nfs/dbraw/zinc/94/59/19/1129945919.db2.gz FXXZOSQERKQCBZ-LLVKDONJSA-N 0 1 298.452 3.564 20 0 CHADMN CCCCC[C@H](C)CC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000771046773 1129971790 /nfs/dbraw/zinc/97/17/90/1129971790.db2.gz IVJDXFPPJQSRFL-VIFPVBQESA-N 0 1 291.317 3.974 20 0 CHADMN CSC(C)(C)C[C@H](C)NC1(c2ccccc2C)COC1 ZINC001258325710 1129202667 /nfs/dbraw/zinc/20/26/67/1129202667.db2.gz CIILHKHHKULOPN-AWEZNQCLSA-N 0 1 293.476 3.730 20 0 CHADMN CO[C@@H](CN[C@H](C)c1csc(Cl)c1)C(F)(F)F ZINC000786926717 1130122794 /nfs/dbraw/zinc/12/27/94/1130122794.db2.gz QYPZBEMKBGNTCN-SVRRBLITSA-N 0 1 287.734 3.629 20 0 CHADMN CC(C)CCC[C@H](C)NC1(c2ccccc2)COC1 ZINC001170067686 1130130572 /nfs/dbraw/zinc/13/05/72/1130130572.db2.gz AFXSXESVBFYLFU-HNNXBMFYSA-N 0 1 261.409 3.717 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccncc1F)CC2 ZINC000338026929 1126712249 /nfs/dbraw/zinc/71/22/49/1126712249.db2.gz LEWXCJQZDSOHSF-GTNSWQLSSA-N 0 1 286.350 3.567 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccncc1F)c1ccccc1N(C)C ZINC000338006380 1126708730 /nfs/dbraw/zinc/70/87/30/1126708730.db2.gz FWKIEUIMHHYJAA-QWHCGFSZSA-N 0 1 287.382 3.699 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@@H]1CCCc2nn(C)cc21 ZINC000338009150 1126708774 /nfs/dbraw/zinc/70/87/74/1126708774.db2.gz IBWXUIKHOXWDBN-XJKSGUPXSA-N 0 1 299.418 3.547 20 0 CHADMN COc1cccc([C@H](C)N[C@@H](C)c2ccncc2F)c1 ZINC000338006415 1126708989 /nfs/dbraw/zinc/70/89/89/1126708989.db2.gz BOLDERLKXCOBNG-RYUDHWBXSA-N 0 1 274.339 3.641 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@H](C)c1ccncc1F ZINC000338015418 1126710597 /nfs/dbraw/zinc/71/05/97/1126710597.db2.gz SLKVMXRZDPDFKK-QWHCGFSZSA-N 0 1 258.340 3.941 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN(C)CCC1CC1 ZINC000135290481 1126716184 /nfs/dbraw/zinc/71/61/84/1126716184.db2.gz SFIXFVXAZOJXBJ-UHFFFAOYSA-N 0 1 288.435 3.789 20 0 CHADMN CC(=O)Nc1nc(CN2CCC[C@H]2CCC(C)C)cs1 ZINC000135317045 1126717188 /nfs/dbraw/zinc/71/71/88/1126717188.db2.gz CFQYBEPFVGADCO-AWEZNQCLSA-N 0 1 295.452 3.502 20 0 CHADMN CCC[C@@H](C)CC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000600531775 1126714829 /nfs/dbraw/zinc/71/48/29/1126714829.db2.gz ISMVFVNUBXOPHU-SNVBAGLBSA-N 0 1 293.798 3.659 20 0 CHADMN COc1cccc(Cl)c1CN(C(C)C)C1CC1 ZINC000338248039 1126727206 /nfs/dbraw/zinc/72/72/06/1126727206.db2.gz ASAFQXBDLIJUAW-UHFFFAOYSA-N 0 1 253.773 3.721 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cc2ncnn2C(C)(C)C)CC1 ZINC000338302175 1126732634 /nfs/dbraw/zinc/73/26/34/1126732634.db2.gz BMCHQMKJYOFOLF-AWEZNQCLSA-N 0 1 292.471 3.681 20 0 CHADMN COCc1ccc([C@H]2CCCN2Cc2scnc2C)o1 ZINC000137071716 1126734002 /nfs/dbraw/zinc/73/40/02/1126734002.db2.gz MSSZNGSCKGHFCP-CYBMUJFWSA-N 0 1 292.404 3.528 20 0 CHADMN CC1=C(c2ccco2)CN(Cc2cn3ccccc3n2)CC1 ZINC000338339875 1126735699 /nfs/dbraw/zinc/73/56/99/1126735699.db2.gz GZTMVRUYQOSYIA-UHFFFAOYSA-N 0 1 293.370 3.607 20 0 CHADMN Cc1nc(CN(C)[C@H](C)C2CCCCC2)cs1 ZINC000338355253 1126737261 /nfs/dbraw/zinc/73/72/61/1126737261.db2.gz KTXXQMRDIFKSPK-LLVKDONJSA-N 0 1 252.427 3.852 20 0 CHADMN COCC[C@H](N[C@@H](C)c1ccncc1F)c1ccccc1 ZINC000338364650 1126737796 /nfs/dbraw/zinc/73/77/96/1126737796.db2.gz DQCRLHPDRMYNRG-GUYCJALGSA-N 0 1 288.366 3.649 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000348483901 1126740148 /nfs/dbraw/zinc/74/01/48/1126740148.db2.gz PSTXEHKXJQAJHL-CZUORRHYSA-N 0 1 299.418 3.912 20 0 CHADMN CCc1ncsc1Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC001213073031 1126740946 /nfs/dbraw/zinc/74/09/46/1126740946.db2.gz ACMDMRBSBZGAPZ-UHFFFAOYSA-N 0 1 258.350 3.634 20 0 CHADMN CCc1ncsc1Nc1ccc2nc(C)[nH]c2c1 ZINC001213073031 1126740948 /nfs/dbraw/zinc/74/09/48/1126740948.db2.gz ACMDMRBSBZGAPZ-UHFFFAOYSA-N 0 1 258.350 3.634 20 0 CHADMN CCCCC[C@H](C)NC(=O)CN(C)[C@H](C)c1ccccc1 ZINC000302735193 1126741178 /nfs/dbraw/zinc/74/11/78/1126741178.db2.gz FWTKUZWMFMJALC-JKSUJKDBSA-N 0 1 290.451 3.764 20 0 CHADMN Fc1cccc(Cl)c1CN1CCC2(CC2)CC1 ZINC000677718247 1130323230 /nfs/dbraw/zinc/32/32/30/1130323230.db2.gz UAKRXEGBCGEYDR-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN COc1cccc(C2(NCc3ccccc3F)CC2)c1 ZINC000150899129 1126747180 /nfs/dbraw/zinc/74/71/80/1126747180.db2.gz FNDPESWZPDLRRL-UHFFFAOYSA-N 0 1 271.335 3.613 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CC[C@H](C(F)F)C1 ZINC000677732018 1130327116 /nfs/dbraw/zinc/32/71/16/1130327116.db2.gz WQYYVFFWSBPVOS-IUCAKERBSA-N 0 1 261.262 3.613 20 0 CHADMN Cc1cc(CN(C)[C@@H]2CCCc3ccccc32)nc(C)n1 ZINC000659816724 1126747511 /nfs/dbraw/zinc/74/75/11/1126747511.db2.gz COVOYMBADWZIEI-GOSISDBHSA-N 0 1 281.403 3.603 20 0 CHADMN CCc1ccc(CN[C@H](C)c2cccc(-n3cccn3)c2)o1 ZINC000150898274 1126747833 /nfs/dbraw/zinc/74/78/33/1126747833.db2.gz PPFKLXFISSOKAY-CQSZACIVSA-N 0 1 295.386 3.879 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccc(N3CCCC3)nc2)o1 ZINC000151057950 1126749484 /nfs/dbraw/zinc/74/94/84/1126749484.db2.gz BSWCEMBSICXDMP-AWEZNQCLSA-N 0 1 299.418 3.688 20 0 CHADMN CCc1nc([C@@H](C)N(C)Cc2ccc3ccccc3c2)n[nH]1 ZINC000659820515 1126757385 /nfs/dbraw/zinc/75/73/85/1126757385.db2.gz HKQKXLREUPQTJP-CYBMUJFWSA-N 0 1 294.402 3.713 20 0 CHADMN C[C@@H]1CC[C@@H](N(C)Cc2nnc(-c3ccccc3)s2)C1 ZINC000429565089 1126762358 /nfs/dbraw/zinc/76/23/58/1126762358.db2.gz GWSQXOXMFIQPIV-TZMCWYRMSA-N 0 1 287.432 3.826 20 0 CHADMN CCN[C@H](C)c1nc(-c2ccc(C(C)C)cc2)no1 ZINC000104061813 1126763738 /nfs/dbraw/zinc/76/37/38/1126763738.db2.gz APANPKOABODUFT-LLVKDONJSA-N 0 1 259.353 3.531 20 0 CHADMN COCc1ccc(CNC2(c3cccc(F)c3)CC2)cc1 ZINC000174420722 1126769730 /nfs/dbraw/zinc/76/97/30/1126769730.db2.gz YBWJVCKMDYYJLG-UHFFFAOYSA-N 0 1 285.362 3.751 20 0 CHADMN CC[C@@](C)(NCc1ccc(OC)cc1)c1nc(C)cs1 ZINC000174501693 1126770652 /nfs/dbraw/zinc/77/06/52/1126770652.db2.gz GGZUMHMSCHCOBC-MRXNPFEDSA-N 0 1 290.432 3.875 20 0 CHADMN CC1(C)CC[C@@H](NCc2ccc(CO)o2)c2ccccc21 ZINC000174352697 1126769450 /nfs/dbraw/zinc/76/94/50/1126769450.db2.gz MXBIMQHUUYTCMZ-QGZVFWFLSA-N 0 1 285.387 3.674 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)N(C)Cc1cnccn1 ZINC000174650448 1126772527 /nfs/dbraw/zinc/77/25/27/1126772527.db2.gz KQNIYQQXPFIKFH-HNNXBMFYSA-N 0 1 275.783 3.713 20 0 CHADMN CCc1noc(CN(CC(C)(C)C)CC(C)(C)C)n1 ZINC000678798130 1130456940 /nfs/dbraw/zinc/45/69/40/1130456940.db2.gz KJDIAOIWJCRKJG-UHFFFAOYSA-N 0 1 267.417 3.526 20 0 CHADMN Cc1ncc(CN2CCC[C@@H]2c2ccc(F)cc2C)n1C ZINC000668226061 1126774767 /nfs/dbraw/zinc/77/47/67/1126774767.db2.gz CJFDFTYXIHDCJG-QGZVFWFLSA-N 0 1 287.382 3.513 20 0 CHADMN Cc1ncc(CN2CCC[C@H]2c2ccc(F)cc2C)n1C ZINC000668226060 1126775027 /nfs/dbraw/zinc/77/50/27/1126775027.db2.gz CJFDFTYXIHDCJG-KRWDZBQOSA-N 0 1 287.382 3.513 20 0 CHADMN c1cc2cc(N[C@@H]3CCCSCC3)ccc2cn1 ZINC000668229603 1126778531 /nfs/dbraw/zinc/77/85/31/1126778531.db2.gz NKTGPJIKLRYEOZ-CQSZACIVSA-N 0 1 258.390 3.932 20 0 CHADMN Cc1ccccc1-c1nc(CNC[C@H]2CCCC[C@@H]2C)no1 ZINC000483305253 1126780094 /nfs/dbraw/zinc/78/00/94/1126780094.db2.gz FMYJLLQLSFYKQB-DZGCQCFKSA-N 0 1 299.418 3.961 20 0 CHADMN CCc1cccc2cc(CN3CC4(C3)CCCOC4)oc21 ZINC000668232505 1126780653 /nfs/dbraw/zinc/78/06/53/1126780653.db2.gz UOGUOZACNPJNMJ-UHFFFAOYSA-N 0 1 285.387 3.608 20 0 CHADMN Fc1ccc(CNCc2cccnc2)cc1C(F)(F)F ZINC000162526352 1126777139 /nfs/dbraw/zinc/77/71/39/1126777139.db2.gz GPPSACFUTZVYMX-UHFFFAOYSA-N 0 1 284.256 3.529 20 0 CHADMN Cc1cc(CN2CC[C@H](C)[C@@H]2c2cccc(F)c2)on1 ZINC000175148519 1126777648 /nfs/dbraw/zinc/77/76/48/1126777648.db2.gz KENLFSSBFWFZCW-MEDUHNTESA-N 0 1 274.339 3.705 20 0 CHADMN Cc1cnc([C@@H](C)N2CC[C@](C)(c3ccc(F)cc3)C2)o1 ZINC000483400466 1126783990 /nfs/dbraw/zinc/78/39/90/1126783990.db2.gz CGTQKRIUDWWPHN-DYVFJYSZSA-N 0 1 288.366 3.847 20 0 CHADMN Clc1ncc(CNC2(c3ccccc3)CCC2)s1 ZINC000175406346 1126781929 /nfs/dbraw/zinc/78/19/29/1126781929.db2.gz ORDODKVECKNOHT-UHFFFAOYSA-N 0 1 278.808 3.966 20 0 CHADMN CC1=C(C)CN([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000483355461 1126782282 /nfs/dbraw/zinc/78/22/82/1126782282.db2.gz KKAWASCOQFAJRD-CQSZACIVSA-N 0 1 283.375 3.840 20 0 CHADMN Cc1nnc(CN(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)o1 ZINC000175435125 1126782461 /nfs/dbraw/zinc/78/24/61/1126782461.db2.gz JIPZNFZUMVHHDG-MNOVXSKESA-N 0 1 293.798 3.655 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1nccn1C ZINC000175430863 1126782790 /nfs/dbraw/zinc/78/27/90/1126782790.db2.gz NZABJQMPIBVQAX-STQMWFEESA-N 0 1 291.826 3.698 20 0 CHADMN CCc1ccccc1NC(=O)[C@@H](C)N1CCC(C)=C(C)C1 ZINC000483366632 1126783170 /nfs/dbraw/zinc/78/31/70/1126783170.db2.gz NPXNWGMNJJJHNE-OAHLLOKOSA-N 0 1 286.419 3.618 20 0 CHADMN C[N@@H+](Cc1cn(C2CCC2)nn1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000668241741 1126785553 /nfs/dbraw/zinc/78/55/53/1126785553.db2.gz NRIBHXQKTTYOMU-CVEARBPZSA-N 0 1 290.455 3.650 20 0 CHADMN Cc1ncc(CN(C(C)C)[C@H](C)c2ccsc2)n1C ZINC000668244714 1126786096 /nfs/dbraw/zinc/78/60/96/1126786096.db2.gz JCCGOIJVQRYZQZ-GFCCVEGCSA-N 0 1 277.437 3.762 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1CCOC2(CCCC2)C1 ZINC000483483339 1126788804 /nfs/dbraw/zinc/78/88/04/1126788804.db2.gz UXFZAVOATOWORI-ZDUSSCGKSA-N 0 1 263.356 3.532 20 0 CHADMN CCCOc1ccc(CN2CC(CC(F)F)C2)c(C)c1 ZINC000668251421 1126789378 /nfs/dbraw/zinc/78/93/78/1126789378.db2.gz ZECVJXZMROGGGK-UHFFFAOYSA-N 0 1 283.362 3.871 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)N1CCOC2(CCCC2)C1 ZINC000483497771 1126789602 /nfs/dbraw/zinc/78/96/02/1126789602.db2.gz BOKANEKLCZUBRG-INIZCTEOSA-N 0 1 277.383 3.922 20 0 CHADMN Cc1ccc(CNCc2cc[nH]c2)c(OCC(F)(F)F)c1 ZINC000176513597 1126791669 /nfs/dbraw/zinc/79/16/69/1126791669.db2.gz YROVDFXCLLNDSR-UHFFFAOYSA-N 0 1 298.308 3.554 20 0 CHADMN COc1ncc([C@@H](C)N[C@@H](C)c2cncs2)cc1Cl ZINC000903311039 1126800870 /nfs/dbraw/zinc/80/08/70/1126800870.db2.gz MHGGCLKUVFRVGC-BDAKNGLRSA-N 0 1 297.811 3.612 20 0 CHADMN Clc1ccc2c(c1)CC[N@H+](CCCC1CCOCC1)C2 ZINC000483663355 1126796830 /nfs/dbraw/zinc/79/68/30/1126796830.db2.gz RPYXFXUQXCXHKX-UHFFFAOYSA-N 0 1 293.838 3.905 20 0 CHADMN C[C@@H](c1ccccn1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000177247303 1126800075 /nfs/dbraw/zinc/80/00/75/1126800075.db2.gz ZWVSXYKEKFORQV-HNNXBMFYSA-N 0 1 294.398 3.738 20 0 CHADMN CC(C)[C@@H](C)N[C@@H](CCc1ccccc1)C(F)F ZINC000679373861 1130523041 /nfs/dbraw/zinc/52/30/41/1130523041.db2.gz UETATNVPHKCEHD-OCCSQVGLSA-N 0 1 255.352 3.887 20 0 CHADMN Cc1ccc2[nH]c(CN[C@H]3c4ccccc4C[C@H]3C)nc2c1 ZINC000483851913 1126804372 /nfs/dbraw/zinc/80/43/72/1126804372.db2.gz LUCHPYLZLMMCES-BFUOFWGJSA-N 0 1 291.398 3.894 20 0 CHADMN Cc1ccc2nc(CN[C@H]3c4ccccc4C[C@H]3C)[nH]c2c1 ZINC000483851913 1126804375 /nfs/dbraw/zinc/80/43/75/1126804375.db2.gz LUCHPYLZLMMCES-BFUOFWGJSA-N 0 1 291.398 3.894 20 0 CHADMN Cc1ncsc1CN(C)[C@@H]1CCc2ccc(F)cc21 ZINC000177716567 1126804753 /nfs/dbraw/zinc/80/47/53/1126804753.db2.gz JGGFXIAGZHSUQG-CQSZACIVSA-N 0 1 276.380 3.710 20 0 CHADMN COc1ncccc1CN[C@@H]1CC(C)(C)c2ccccc21 ZINC000177889649 1126806169 /nfs/dbraw/zinc/80/61/69/1126806169.db2.gz QVAKLFHWCIZIRO-MRXNPFEDSA-N 0 1 282.387 3.602 20 0 CHADMN c1coc(-c2ncc(CN3C[C@@H]4CCCC[C@@H]43)s2)c1 ZINC000668299131 1126808073 /nfs/dbraw/zinc/80/80/73/1126808073.db2.gz VIBDPSJSOFWJMI-AAEUAGOBSA-N 0 1 274.389 3.778 20 0 CHADMN Cc1cccc2nc(CN[C@@H](C)c3cccs3)cn21 ZINC000178057242 1126808322 /nfs/dbraw/zinc/80/83/22/1126808322.db2.gz RMXUZFAIVXUQQM-LBPRGKRZSA-N 0 1 271.389 3.555 20 0 CHADMN COCCC[C@@H](C)N[C@H](c1nccs1)c1ccccc1 ZINC000178197552 1126809789 /nfs/dbraw/zinc/80/97/89/1126809789.db2.gz LBEVACPHVFSIGN-HIFRSBDPSA-N 0 1 290.432 3.637 20 0 CHADMN C[C@H](NCc1ccc(OCC2CC2)nc1)c1ccsc1 ZINC000178284020 1126811129 /nfs/dbraw/zinc/81/11/29/1126811129.db2.gz QVFGFUKNLZTFST-LBPRGKRZSA-N 0 1 288.416 3.783 20 0 CHADMN O=S(=O)(Nc1csc2ccccc12)c1ccccc1 ZINC000484110124 1126811251 /nfs/dbraw/zinc/81/12/51/1126811251.db2.gz PSJMUNWMWFOPSD-UHFFFAOYSA-N 0 1 289.381 3.702 20 0 CHADMN C[C@H](N[C@@H]1CCOc2c(Cl)cccc21)c1cccnc1 ZINC000178314038 1126811555 /nfs/dbraw/zinc/81/15/55/1126811555.db2.gz JDXTZMXDKGSFMW-XHDPSFHLSA-N 0 1 288.778 3.909 20 0 CHADMN C[C@@H](NCc1ccc(OCC2CC2)nc1)c1ccsc1 ZINC000178284035 1126811628 /nfs/dbraw/zinc/81/16/28/1126811628.db2.gz QVFGFUKNLZTFST-GFCCVEGCSA-N 0 1 288.416 3.783 20 0 CHADMN FC(F)Oc1cccc(CN2CCC(F)(F)CC2)c1 ZINC000793358017 1130544893 /nfs/dbraw/zinc/54/48/93/1130544893.db2.gz AMKPKYFFOSQWAO-UHFFFAOYSA-N 0 1 277.261 3.519 20 0 CHADMN Cc1cc(C)c2c(c1)[C@@H](NCc1ccoc1)CCCO2 ZINC000178476395 1126814034 /nfs/dbraw/zinc/81/40/34/1126814034.db2.gz JMSLSUUPTQLUAW-INIZCTEOSA-N 0 1 271.360 3.900 20 0 CHADMN Cc1nc(-c2cccnc2)sc1[C@@H](C)NCc1ccoc1 ZINC000178475892 1126814416 /nfs/dbraw/zinc/81/44/16/1126814416.db2.gz ZZRKPNAZTODQCJ-LLVKDONJSA-N 0 1 299.399 3.957 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(F)cc(F)c2)cc1F ZINC000178530489 1126815454 /nfs/dbraw/zinc/81/54/54/1126815454.db2.gz UCECNJMKZDBCKF-SNVBAGLBSA-N 0 1 295.304 3.963 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)C(C)C)c2C)o1 ZINC000178549143 1126815810 /nfs/dbraw/zinc/81/58/10/1126815810.db2.gz FSPDNRPNDIRNNE-JTQLQIEISA-N 0 1 275.352 3.517 20 0 CHADMN C[C@H](NCc1ccc(CO)c(F)c1)c1ccc(Cl)s1 ZINC000178561832 1126816116 /nfs/dbraw/zinc/81/61/16/1126816116.db2.gz ZBGGPNMBHQDXCK-VIFPVBQESA-N 0 1 299.798 3.884 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccc([C@@H](C)O)cc2)o1 ZINC000178557239 1126816283 /nfs/dbraw/zinc/81/62/83/1126816283.db2.gz LZPIPEIRFYJESO-QWHCGFSZSA-N 0 1 273.376 3.746 20 0 CHADMN CC(C)CCN(C)Cc1ccnc(Cl)c1Cl ZINC000811454099 1130610206 /nfs/dbraw/zinc/61/02/06/1130610206.db2.gz GFTSDBAOEDFCBL-UHFFFAOYSA-N 0 1 261.196 3.866 20 0 CHADMN Fc1ccccc1CN1CCC[C@@H]1c1ccncc1 ZINC000179576458 1126831232 /nfs/dbraw/zinc/83/12/32/1126831232.db2.gz CGHSTRNUXZGLPT-MRXNPFEDSA-N 0 1 256.324 3.558 20 0 CHADMN CC[C@H](c1ccccc1)[C@@H]1CCCN1Cc1csnn1 ZINC000179695620 1126832637 /nfs/dbraw/zinc/83/26/37/1126832637.db2.gz CVIQXQYBXGZFBC-CVEARBPZSA-N 0 1 287.432 3.696 20 0 CHADMN Cc1ccc([C@H]2CCCN2CC(=O)Nc2ccccc2)cc1 ZINC000484604192 1126835595 /nfs/dbraw/zinc/83/55/95/1126835595.db2.gz ZPDXKWPYRXYBAU-GOSISDBHSA-N 0 1 294.398 3.771 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2cc(F)ccc21)c1cccnc1 ZINC000179963801 1126837712 /nfs/dbraw/zinc/83/77/12/1126837712.db2.gz QJFMNGPVVKKWOJ-MLGOLLRUSA-N 0 1 286.350 3.785 20 0 CHADMN CC[C@@H](NCc1nc(C2CC2)no1)C(C)(C)c1ccccc1 ZINC000180010004 1126838238 /nfs/dbraw/zinc/83/82/38/1126838238.db2.gz XMQDHCZTBKQOPP-OAHLLOKOSA-N 0 1 299.418 3.793 20 0 CHADMN Cc1nn(C)cc1CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000180148072 1126841023 /nfs/dbraw/zinc/84/10/23/1126841023.db2.gz XCDKRUXZMOVHOT-INIZCTEOSA-N 0 1 289.810 3.719 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2cccnc2)c(C)s1 ZINC000180798929 1126849724 /nfs/dbraw/zinc/84/97/24/1126849724.db2.gz ZKDIKBUDSVBMCZ-GFCCVEGCSA-N 0 1 260.406 3.953 20 0 CHADMN C[C@@H](N[C@@H](C)C(C)(C)c1ccccc1)c1nc(C2CC2)no1 ZINC000181774694 1126860657 /nfs/dbraw/zinc/86/06/57/1126860657.db2.gz WZCTYXKVWGCDPE-OLZOCXBDSA-N 0 1 299.418 3.964 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cncc(C)c1 ZINC000181841953 1126861404 /nfs/dbraw/zinc/86/14/04/1126861404.db2.gz RWGHDBBDKOHGKG-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN C[C@@H](NCc1cocn1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000182076301 1126865895 /nfs/dbraw/zinc/86/58/95/1126865895.db2.gz MMAISKDBPJIOGS-GHMZBOCLSA-N 0 1 298.308 3.975 20 0 CHADMN Clc1ccc(CN[C@H]2CCCc3ccccc32)nc1 ZINC000182129923 1126866544 /nfs/dbraw/zinc/86/65/44/1126866544.db2.gz OFABESBMUIPNBP-INIZCTEOSA-N 0 1 272.779 3.902 20 0 CHADMN Clc1ccc([C@@H]2OCC[C@@H]2NCc2ccco2)cc1 ZINC000182112877 1126866619 /nfs/dbraw/zinc/86/66/19/1126866619.db2.gz CFPAGVBPCIIGDH-GJZGRUSLSA-N 0 1 277.751 3.553 20 0 CHADMN CCn1cc([C@H](C)NC2(c3cccc(Cl)c3)CC2)cn1 ZINC000182261435 1126869206 /nfs/dbraw/zinc/86/92/06/1126869206.db2.gz VCDLWTJESGQSDC-LBPRGKRZSA-N 0 1 289.810 3.896 20 0 CHADMN CCN(Cc1csc(CCC(C)C)n1)CC1CC1 ZINC000485010516 1126872393 /nfs/dbraw/zinc/87/23/93/1126872393.db2.gz SDSDBITTXQLMFN-UHFFFAOYSA-N 0 1 266.454 3.964 20 0 CHADMN CC(C)C[C@@H](C(=O)NOC/C=C\Cl)c1ccccc1 ZINC000812398558 1130686807 /nfs/dbraw/zinc/68/68/07/1130686807.db2.gz SVXCNHJYRDZVAT-DEBLGDTFSA-N 0 1 281.783 3.617 20 0 CHADMN C[C@H](NCc1n[nH]c(C2CC2)n1)c1ccc2ccccc2c1 ZINC000182671868 1126876200 /nfs/dbraw/zinc/87/62/00/1126876200.db2.gz KGKJCUUAKQZAKU-LBPRGKRZSA-N 0 1 292.386 3.686 20 0 CHADMN CC[C@H](NCc1ccc(CO)cc1)c1cc(F)ccc1F ZINC000183108505 1126881415 /nfs/dbraw/zinc/88/14/15/1126881415.db2.gz LHGOXVUVJINYMD-KRWDZBQOSA-N 0 1 291.341 3.698 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cn2cccnc2n1)C(C)C ZINC000183224819 1126883962 /nfs/dbraw/zinc/88/39/62/1126883962.db2.gz SEOYKZFHRYVLIV-KRWDZBQOSA-N 0 1 294.402 3.525 20 0 CHADMN Cc1noc([C@H]2CCCCN2CCCc2cccc(C)c2)n1 ZINC000568789114 1126887603 /nfs/dbraw/zinc/88/76/03/1126887603.db2.gz PTBARNNSDNIRLZ-QGZVFWFLSA-N 0 1 299.418 3.846 20 0 CHADMN CCC[C@H](C)NC(=O)[C@@H](C)N(CC)Cc1ccccc1C ZINC000485123793 1126888385 /nfs/dbraw/zinc/88/83/85/1126888385.db2.gz RVFSXENOTHDVCL-JKSUJKDBSA-N 0 1 290.451 3.510 20 0 CHADMN COc1ccccc1/C=C/CN(C)[C@H](C)c1cccnc1 ZINC000183717309 1126890744 /nfs/dbraw/zinc/89/07/44/1126890744.db2.gz CYTMEVSEKBZUSA-JOZWUWCOSA-N 0 1 282.387 3.796 20 0 CHADMN C[C@H](CN(C)Cc1cccc(F)c1F)c1nccs1 ZINC000183918416 1126893858 /nfs/dbraw/zinc/89/38/58/1126893858.db2.gz QPFVJRAATSNNAX-SNVBAGLBSA-N 0 1 282.359 3.657 20 0 CHADMN Cn1cc(CNc2cc3c(cn2)CCC3)c(C2CCCC2)n1 ZINC000905413727 1126900482 /nfs/dbraw/zinc/90/04/82/1126900482.db2.gz GBYMUHFQGHOPIT-UHFFFAOYSA-N 0 1 296.418 3.574 20 0 CHADMN Cn1cc(CNc2ccc3c(n2)CCC3)c(C2CCCC2)n1 ZINC000905414976 1126900590 /nfs/dbraw/zinc/90/05/90/1126900590.db2.gz WAKGTXJEPAFYQV-UHFFFAOYSA-N 0 1 296.418 3.574 20 0 CHADMN Clc1ccnc(Cl)c1-c1cccc2cncn21 ZINC001244939583 1130724225 /nfs/dbraw/zinc/72/42/25/1130724225.db2.gz CKCBEUJMPWNVJS-UHFFFAOYSA-N 0 1 264.115 3.703 20 0 CHADMN c1coc(C2CCN(Cc3ccc4c(n3)CCC4)CC2)c1 ZINC000668463593 1126906903 /nfs/dbraw/zinc/90/69/03/1126906903.db2.gz UJGINJNHJARXLU-UHFFFAOYSA-N 0 1 282.387 3.543 20 0 CHADMN C=Cc1ccc(C(=O)Nc2cc3cn[nH]c3cc2C)cc1 ZINC000485369948 1126908914 /nfs/dbraw/zinc/90/89/14/1126908914.db2.gz CEWBCYMWJPUGOQ-UHFFFAOYSA-N 0 1 277.327 3.767 20 0 CHADMN CCc1ccc(C)nc1N[C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000668477705 1126911437 /nfs/dbraw/zinc/91/14/37/1126911437.db2.gz FNPLNCRDELCXPP-PLAPLOCASA-N 0 1 274.408 3.568 20 0 CHADMN CCc1ccc(C)nc1N[C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000668477700 1126911576 /nfs/dbraw/zinc/91/15/76/1126911576.db2.gz FNPLNCRDELCXPP-GEEKYZPCSA-N 0 1 274.408 3.568 20 0 CHADMN CCc1ccc(C)nc1N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000668478582 1126911621 /nfs/dbraw/zinc/91/16/21/1126911621.db2.gz ORSHICZNGDUTDF-LSDHHAIUSA-N 0 1 262.397 3.568 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CC(C)=C[C@H](C)C1 ZINC000485433553 1126912914 /nfs/dbraw/zinc/91/29/14/1126912914.db2.gz QEYMCOYHGVQUJH-NSHDSACASA-N 0 1 286.350 3.785 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1ccc(OCC(C)C)cc1 ZINC000187803433 1126914810 /nfs/dbraw/zinc/91/48/10/1126914810.db2.gz UWJFPDGVBDVQRQ-OAHLLOKOSA-N 0 1 299.418 3.671 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](N[C@@H](C)c1cnccn1)CC2 ZINC000187801447 1126914959 /nfs/dbraw/zinc/91/49/59/1126914959.db2.gz AUNYPRZVCFILEL-GUYCJALGSA-N 0 1 281.403 3.938 20 0 CHADMN CCN(Cc1csc(C)n1)[C@@H](C)Cc1ccsc1 ZINC000187787189 1126915113 /nfs/dbraw/zinc/91/51/13/1126915113.db2.gz CGEAZAKMAYHALE-NSHDSACASA-N 0 1 280.462 3.966 20 0 CHADMN CCOc1cc(CN2CCC[C@@H]3CCCC[C@@H]32)c(F)cn1 ZINC001238726080 1131238689 /nfs/dbraw/zinc/23/86/89/1131238689.db2.gz BJMPQKRPCAXGOM-BBRMVZONSA-N 0 1 292.398 3.774 20 0 CHADMN C[C@H]1CC[C@]2(CCN(Cc3cccnc3Cl)C2)C1 ZINC000781928594 1130748456 /nfs/dbraw/zinc/74/84/56/1130748456.db2.gz NGDUERYRFCTOON-WFASDCNBSA-N 0 1 264.800 3.747 20 0 CHADMN Cc1ccnc(N[C@H]2CCOC3(CCC3)C2)c1C1CC1 ZINC000668512996 1126924234 /nfs/dbraw/zinc/92/42/34/1126924234.db2.gz VPGFUTUKLYYZGA-AWEZNQCLSA-N 0 1 272.392 3.781 20 0 CHADMN C[C@H](N[C@H]1CS[C@H](C(C)(C)C)C1)c1cscn1 ZINC000668504069 1126920082 /nfs/dbraw/zinc/92/00/82/1126920082.db2.gz QOTCJPZMMCKVCS-UMNHJUIQSA-N 0 1 270.467 3.714 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000188116859 1126920434 /nfs/dbraw/zinc/92/04/34/1126920434.db2.gz XPSMOQUIESMJHR-BNLOLNQZSA-N 0 1 299.393 3.898 20 0 CHADMN Cc1cc(Cl)cc(CN(C)Cc2ccc(C)nc2)c1 ZINC001235539120 1130753250 /nfs/dbraw/zinc/75/32/50/1130753250.db2.gz XFGFEQHECYUCDM-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CC(C)C(C)(C)CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000188707227 1126925406 /nfs/dbraw/zinc/92/54/06/1126925406.db2.gz GGUKJALHMGWHNG-HNNXBMFYSA-N 0 1 271.408 3.771 20 0 CHADMN CCn1nccc1CNCc1ccc(C(F)(F)F)cc1C ZINC000188908349 1126926925 /nfs/dbraw/zinc/92/69/25/1126926925.db2.gz DRXNOTWYWBRXHE-UHFFFAOYSA-N 0 1 297.324 3.520 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC([C@H]2CCCO2)CC1 ZINC000189191161 1126928848 /nfs/dbraw/zinc/92/88/48/1126928848.db2.gz SGJQOTVVIWXMSS-MLGOLLRUSA-N 0 1 295.373 3.917 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1c(Cl)cnn1C)CCC2 ZINC000189376568 1126931302 /nfs/dbraw/zinc/93/13/02/1126931302.db2.gz GNHOMWMHRSODCD-OAHLLOKOSA-N 0 1 289.810 3.549 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1cc(F)cc(F)c1 ZINC000189293611 1126930670 /nfs/dbraw/zinc/93/06/70/1126930670.db2.gz HGTGYRBOBIMLFB-MRXNPFEDSA-N 0 1 276.330 3.943 20 0 CHADMN c1cc2c(cc1-c1cnc([C@H]3CCCCN3)nc1)CCCC2 ZINC000906152213 1126932228 /nfs/dbraw/zinc/93/22/28/1126932228.db2.gz GNEROCUCEQGZQG-GOSISDBHSA-N 0 1 293.414 3.837 20 0 CHADMN Cc1ccc(C)c(-c2cnc([C@@H]3CCCCN3)nc2)c1 ZINC000906164984 1126933272 /nfs/dbraw/zinc/93/32/72/1126933272.db2.gz OQIYFRJDALBWEL-INIZCTEOSA-N 0 1 267.376 3.575 20 0 CHADMN CSCc1cccc(CNCc2cnn(C(C)C)c2)c1 ZINC000189486702 1126933380 /nfs/dbraw/zinc/93/33/80/1126933380.db2.gz JQWQYMRNXVXRGU-UHFFFAOYSA-N 0 1 289.448 3.617 20 0 CHADMN CSc1ccccc1-c1cnc([C@@H]2CCCCN2)nc1 ZINC000906177846 1126934432 /nfs/dbraw/zinc/93/44/32/1126934432.db2.gz BCSZVMLHQRIGDP-AWEZNQCLSA-N 0 1 285.416 3.680 20 0 CHADMN Cc1cncc(CN(C)Cc2ccc(Cl)cc2)c1 ZINC000189775127 1126934684 /nfs/dbraw/zinc/93/46/84/1126934684.db2.gz SLSRXXWGYNLODY-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cn1ccc2cccc(-c3ccc([C@@H]4COCCN4)cc3)c21 ZINC000906213974 1126939318 /nfs/dbraw/zinc/93/93/18/1126939318.db2.gz CEDNMZCSYVRCGQ-SFHVURJKSA-N 0 1 292.382 3.506 20 0 CHADMN CCC(=O)CCN(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000190311054 1126941352 /nfs/dbraw/zinc/94/13/52/1126941352.db2.gz PYYSPOZUHFQRIC-LBPRGKRZSA-N 0 1 282.453 3.937 20 0 CHADMN COc1cc(F)cc(CNCc2cc(F)cc(Cl)c2)c1 ZINC000485690835 1126941908 /nfs/dbraw/zinc/94/19/08/1126941908.db2.gz BXKPLVGHPIIMQC-UHFFFAOYSA-N 0 1 297.732 3.917 20 0 CHADMN CCc1nc[nH]c1C(=O)Nc1ccccc1OC1CCCC1 ZINC000906271718 1126942986 /nfs/dbraw/zinc/94/29/86/1126942986.db2.gz RVWSVCFOGDFMEE-UHFFFAOYSA-N 0 1 299.374 3.546 20 0 CHADMN Cc1c([C@@H](C)N[C@H](C)c2cccnc2)cnn1C(C)C ZINC000191125570 1126948265 /nfs/dbraw/zinc/94/82/65/1126948265.db2.gz HHUQGFYKOXPFMI-CHWSQXEVSA-N 0 1 272.396 3.579 20 0 CHADMN C[C@@H](c1nc(Cc2ccccc2)no1)N1[C@H](C)CC[C@H]1C ZINC000191161980 1126948835 /nfs/dbraw/zinc/94/88/35/1126948835.db2.gz DWBILEQFSXZZNV-MCIONIFRSA-N 0 1 285.391 3.594 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1ccc2ccccc2c1)C1CCC1 ZINC000569121920 1126946308 /nfs/dbraw/zinc/94/63/08/1126946308.db2.gz NWQBPNRGEZKGFR-ZDUSSCGKSA-N 0 1 283.371 3.667 20 0 CHADMN Cc1ccc(SCCN2CCO[C@@H](C3CC3)C2)cc1C ZINC000485838894 1126956125 /nfs/dbraw/zinc/95/61/25/1126956125.db2.gz BUWIGZTTWPZIJC-QGZVFWFLSA-N 0 1 291.460 3.506 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1cocn1 ZINC000191946696 1126956552 /nfs/dbraw/zinc/95/65/52/1126956552.db2.gz QGXQUUWXXUWJAW-NWDGAFQWSA-N 0 1 278.783 3.952 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2cocn2)c1C ZINC000191945441 1126956959 /nfs/dbraw/zinc/95/69/59/1126956959.db2.gz XHQNKRXFKHBLIV-INIZCTEOSA-N 0 1 256.349 3.629 20 0 CHADMN c1nc(CN2CCCCC[C@@H]2c2ccccc2)co1 ZINC000191935079 1126957128 /nfs/dbraw/zinc/95/71/28/1126957128.db2.gz QTCHVYCEMNSFKU-MRXNPFEDSA-N 0 1 256.349 3.792 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccc(-c3cnco3)cc2)s1 ZINC000906525351 1126957179 /nfs/dbraw/zinc/95/71/79/1126957179.db2.gz LZFOVQDPZHXGEN-LLVKDONJSA-N 0 1 299.399 3.957 20 0 CHADMN CC(C)c1ccc(CCCNCc2cocn2)cc1 ZINC000192315067 1126960009 /nfs/dbraw/zinc/96/00/09/1126960009.db2.gz NUFALPVNFLBCPY-UHFFFAOYSA-N 0 1 258.365 3.520 20 0 CHADMN C/C=C\C[C@@H]1CCCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000629884537 1126960784 /nfs/dbraw/zinc/96/07/84/1126960784.db2.gz ZECBUACDSFQNFC-VQTKUKTRSA-N 0 1 297.402 3.690 20 0 CHADMN CN(Cc1ccc(C(F)(F)F)s1)CC1=CCCOC1 ZINC000668569435 1126963254 /nfs/dbraw/zinc/96/32/54/1126963254.db2.gz YKFPVALALPTYMH-UHFFFAOYSA-N 0 1 291.338 3.545 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1ccnn1C)c1ccc(F)cc1F ZINC000192955518 1126964727 /nfs/dbraw/zinc/96/47/27/1126964727.db2.gz GJTXEVFRGGQUCC-XHDPSFHLSA-N 0 1 293.361 3.890 20 0 CHADMN C=Cn1cc(CN2CCc3sccc3[C@H]2CC)cn1 ZINC000193743014 1126970173 /nfs/dbraw/zinc/97/01/73/1126970173.db2.gz YQYNZCWFPPXUEH-CQSZACIVSA-N 0 1 273.405 3.555 20 0 CHADMN CCCOc1ccc(NC(=O)c2cn[nH]c2C(C)C)cc1 ZINC000193794005 1126970813 /nfs/dbraw/zinc/97/08/13/1126970813.db2.gz ASHJGWUWRQFYQY-UHFFFAOYSA-N 0 1 287.363 3.574 20 0 CHADMN COC[C@H](N[C@@H](C)c1ccncc1)c1ccc(Cl)cc1 ZINC000193941377 1126972117 /nfs/dbraw/zinc/97/21/17/1126972117.db2.gz NRKBFKSDPOZBQD-LRDDRELGSA-N 0 1 290.794 3.773 20 0 CHADMN FCC[C@H]1CCCN(Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000668591952 1126972505 /nfs/dbraw/zinc/97/25/05/1126972505.db2.gz FPLNZOWEKPFXFA-OCCSQVGLSA-N 0 1 298.427 3.566 20 0 CHADMN C=Cn1cc(CN[C@H](CC)c2ccccc2OCC)cn1 ZINC000194280181 1126973083 /nfs/dbraw/zinc/97/30/83/1126973083.db2.gz KRKWIUMFGFAZMA-MRXNPFEDSA-N 0 1 285.391 3.623 20 0 CHADMN Cc1n[nH]c(C)c1CN(Cc1ccccc1F)CC1CC1 ZINC000668613716 1126981234 /nfs/dbraw/zinc/98/12/34/1126981234.db2.gz FKOMYUYBWYJQQY-UHFFFAOYSA-N 0 1 287.382 3.578 20 0 CHADMN Fc1ccccc1CN(CC1CC1)CC1(F)CC1 ZINC000668613823 1126981307 /nfs/dbraw/zinc/98/13/07/1126981307.db2.gz VUHUXRDQPRQDGP-UHFFFAOYSA-N 0 1 251.320 3.540 20 0 CHADMN Cc1cc([C@@H](C)NCc2conc2C)c(C)s1 ZINC000294106325 1129213757 /nfs/dbraw/zinc/21/37/57/1129213757.db2.gz MPXPDDPLKUFUKR-SNVBAGLBSA-N 0 1 250.367 3.512 20 0 CHADMN CCCN(Cc1ncc(C)o1)[C@@H]1CCc2ccccc21 ZINC000266560133 1126984209 /nfs/dbraw/zinc/98/42/09/1126984209.db2.gz XCNXIYUTEHSMLL-MRXNPFEDSA-N 0 1 270.376 3.883 20 0 CHADMN CC(C)c1nnc(CN2CC[C@H](Cc3ccccc3)[C@H]2C)o1 ZINC000266903237 1126990126 /nfs/dbraw/zinc/99/01/26/1126990126.db2.gz ADWHGUJFWMOWBJ-GDBMZVCRSA-N 0 1 299.418 3.646 20 0 CHADMN Cc1nc(CN(C2CC2)C2CCC(C)CC2)c(C)o1 ZINC000659847256 1126994712 /nfs/dbraw/zinc/99/47/12/1126994712.db2.gz WGYICDRKHHCAGC-UHFFFAOYSA-N 0 1 262.397 3.835 20 0 CHADMN Cc1cc([C@H]2CCN(CC3(F)CC3)C2)c(O)cc1Cl ZINC000668679009 1127001533 /nfs/dbraw/zinc/00/15/33/1127001533.db2.gz XIVNOMWEBXOEFA-NSHDSACASA-N 0 1 283.774 3.645 20 0 CHADMN CCSCSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000814728201 1130902839 /nfs/dbraw/zinc/90/28/39/1130902839.db2.gz OSIUQEXWTAWFKI-UHFFFAOYSA-N 0 1 265.407 3.583 20 0 CHADMN C[C@H](c1ccco1)N(C[C@H](O)c1ccccc1F)C1CC1 ZINC000267906151 1127008094 /nfs/dbraw/zinc/00/80/94/1127008094.db2.gz AWMYBMXSUMCGDH-WBMJQRKESA-N 0 1 289.350 3.678 20 0 CHADMN CCc1noc(C)c1CN[C@H](C)c1cccc(F)c1 ZINC000268118801 1127012200 /nfs/dbraw/zinc/01/22/00/1127012200.db2.gz FJSFRZULXDCRCC-SNVBAGLBSA-N 0 1 262.328 3.535 20 0 CHADMN CCc1noc(C)c1CNC(C)(C)c1ccccc1 ZINC000268134568 1127012309 /nfs/dbraw/zinc/01/23/09/1127012309.db2.gz IYPAUNTUTCFEGQ-UHFFFAOYSA-N 0 1 258.365 3.570 20 0 CHADMN Cc1nc(CN(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000268368710 1127016684 /nfs/dbraw/zinc/01/66/84/1127016684.db2.gz VQHCYNVVFPDGAG-QMMMGPOBSA-N 0 1 299.205 3.613 20 0 CHADMN Cc1cc(=O)[nH]c([C@@H](C)N[C@@H](c2ccccc2)C(C)C)n1 ZINC000268369748 1127016705 /nfs/dbraw/zinc/01/67/05/1127016705.db2.gz HMOMOCYSULSXEI-CZUORRHYSA-N 0 1 285.391 3.539 20 0 CHADMN COCc1ccc(CN[C@@H]2CCc3c2cccc3Cl)o1 ZINC000268787435 1127023937 /nfs/dbraw/zinc/02/39/37/1127023937.db2.gz KUJFZMIWILSASK-MRXNPFEDSA-N 0 1 291.778 3.857 20 0 CHADMN Cc1c(Cl)cnn1CN1CC[C@@H](c2ccc(C)cc2)C1 ZINC000784022815 1127020127 /nfs/dbraw/zinc/02/01/27/1127020127.db2.gz AKBWHAXNBVIYLN-OAHLLOKOSA-N 0 1 289.810 3.600 20 0 CHADMN CC(C)[C@@H](C)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000268734668 1127021455 /nfs/dbraw/zinc/02/14/55/1127021455.db2.gz DCCBHGQCSSPBAJ-IUODEOHRSA-N 0 1 291.826 3.797 20 0 CHADMN Cc1ccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)cn1 ZINC000268763212 1127022267 /nfs/dbraw/zinc/02/22/67/1127022267.db2.gz IIRQUXPYBPMPHA-KRWDZBQOSA-N 0 1 294.398 3.926 20 0 CHADMN COc1ccsc1CNC1(c2cccc(OC)c2)CC1 ZINC000268771901 1127023173 /nfs/dbraw/zinc/02/31/73/1127023173.db2.gz FGDHNPJWUUIXLU-UHFFFAOYSA-N 0 1 289.400 3.544 20 0 CHADMN Cc1cc(C)c(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1C ZINC000268837646 1127026287 /nfs/dbraw/zinc/02/62/87/1127026287.db2.gz MHTCMTCHMDCFBU-INIZCTEOSA-N 0 1 269.392 3.502 20 0 CHADMN Cc1cc(C)c(CN[C@H]2CCCc3c[nH]nc32)cc1C ZINC000268837646 1127026288 /nfs/dbraw/zinc/02/62/88/1127026288.db2.gz MHTCMTCHMDCFBU-INIZCTEOSA-N 0 1 269.392 3.502 20 0 CHADMN CCCCOc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000268858021 1127026438 /nfs/dbraw/zinc/02/64/38/1127026438.db2.gz REMGXLBVCGJKJO-QGZVFWFLSA-N 0 1 299.418 3.756 20 0 CHADMN CCCCCc1cc(C(=O)N2CCCCC[C@H]2C)n[nH]1 ZINC000668771485 1127027283 /nfs/dbraw/zinc/02/72/83/1127027283.db2.gz PVXUYPWUJHYSCD-CYBMUJFWSA-N 0 1 277.412 3.547 20 0 CHADMN CCCCCC[C@@H](C)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268940469 1127029308 /nfs/dbraw/zinc/02/93/08/1127029308.db2.gz GSBGMKYJFYGMFZ-OCCSQVGLSA-N 0 1 277.412 3.510 20 0 CHADMN CC(C)[C@@H]1CC[C@@H]1NCc1c(F)c(F)cc(F)c1F ZINC000796827127 1130936291 /nfs/dbraw/zinc/93/62/91/1130936291.db2.gz PLBJBKKHWREYHB-UFBFGSQYSA-N 0 1 275.289 3.767 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@H](C)c1cnn(CC)c1 ZINC000269064524 1127034352 /nfs/dbraw/zinc/03/43/52/1127034352.db2.gz YIYXGUVNYYZMBC-ZIAGYGMSSA-N 0 1 287.407 3.714 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N1CCC[C@H](C)C1 ZINC000042244599 1127034573 /nfs/dbraw/zinc/03/45/73/1127034573.db2.gz NXABKNKZJNSPQT-WCQYABFASA-N 0 1 294.826 3.707 20 0 CHADMN Cc1cnc([C@@H](NC/C=C/c2ccncc2)C2CC2)s1 ZINC000487293622 1127030436 /nfs/dbraw/zinc/03/04/36/1127030436.db2.gz DHVCDSDYVFVGGS-FAAWYNLUSA-N 0 1 285.416 3.601 20 0 CHADMN CN(CC1=CCSC1)Cc1cc(F)cc(Cl)c1 ZINC000668774551 1127030922 /nfs/dbraw/zinc/03/09/22/1127030922.db2.gz BZLRJVHUANTFNP-UHFFFAOYSA-N 0 1 271.788 3.584 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(F)cn2)ccc1F ZINC000269000231 1127031738 /nfs/dbraw/zinc/03/17/38/1127031738.db2.gz JDPORUMYBKEJCX-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN CC(C)[C@H]1CCCCN1Cc1ccnc(Br)c1 ZINC000815050528 1130951771 /nfs/dbraw/zinc/95/17/71/1130951771.db2.gz ACNIXMGWLGXPTR-CYBMUJFWSA-N 0 1 297.240 3.855 20 0 CHADMN C[C@@H](NCc1ccc(F)cc1F)c1ccc2c(c1)COC2 ZINC000269020551 1127032564 /nfs/dbraw/zinc/03/25/64/1127032564.db2.gz PSIPSXJCFVGTNJ-LLVKDONJSA-N 0 1 289.325 3.846 20 0 CHADMN CC=C(C)C(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1 ZINC000909717021 1127036012 /nfs/dbraw/zinc/03/60/12/1127036012.db2.gz WCDMTJSPSVQUKH-XCVCLJGOSA-N 0 1 299.349 3.998 20 0 CHADMN CCC(CC)n1ccc(CSc2nc(C3CC3)n[nH]2)n1 ZINC000269348948 1127037626 /nfs/dbraw/zinc/03/76/26/1127037626.db2.gz MIERPCFNXFRNBL-UHFFFAOYSA-N 0 1 291.424 3.532 20 0 CHADMN CCC(CC)n1ccc(CSc2n[nH]c(C3CC3)n2)n1 ZINC000269348948 1127037628 /nfs/dbraw/zinc/03/76/28/1127037628.db2.gz MIERPCFNXFRNBL-UHFFFAOYSA-N 0 1 291.424 3.532 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H](C)N(C)c2ccccc2)cs1 ZINC000269396700 1127038656 /nfs/dbraw/zinc/03/86/56/1127038656.db2.gz FDHJXRAGUYXNCU-QWHCGFSZSA-N 0 1 289.448 3.627 20 0 CHADMN Cc1nc([C@H](C)NC[C@H](C)Oc2ccccc2F)cs1 ZINC000269429506 1127039423 /nfs/dbraw/zinc/03/94/23/1127039423.db2.gz OYFXNMKURSJBMD-QWRGUYRKSA-N 0 1 294.395 3.709 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)COc2cccc(C)c2)cs1 ZINC000269456869 1127039554 /nfs/dbraw/zinc/03/95/54/1127039554.db2.gz XGDNHVRZTNRXEI-OLZOCXBDSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1ccncc1CN(Cc1ccc(F)cc1)C1CC1 ZINC000269419477 1127039574 /nfs/dbraw/zinc/03/95/74/1127039574.db2.gz LHIVXBUWLCMICB-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN Cc1nc([C@@H](C)NCCCOc2ccc(F)cc2)cs1 ZINC000269420867 1127039950 /nfs/dbraw/zinc/03/99/50/1127039950.db2.gz LXMYZEHBKWCILJ-LLVKDONJSA-N 0 1 294.395 3.710 20 0 CHADMN Cc1occc1CNCc1ccc(Br)s1 ZINC000067217899 1127043938 /nfs/dbraw/zinc/04/39/38/1127043938.db2.gz NRPJEZMITUOFDP-UHFFFAOYSA-N 0 1 286.194 3.702 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1cnc(-c2ccccc2)s1 ZINC000815163556 1130963411 /nfs/dbraw/zinc/96/34/11/1130963411.db2.gz PMGRHCBUYDDORT-NWDGAFQWSA-N 0 1 258.390 3.650 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cnc(C)[nH]1 ZINC000269513890 1127040878 /nfs/dbraw/zinc/04/08/78/1127040878.db2.gz DFDPATCELGDABR-MRXNPFEDSA-N 0 1 299.418 3.510 20 0 CHADMN COc1ccc(CN[C@@H]2CCc3c2c(F)ccc3F)cc1 ZINC000269805885 1127046198 /nfs/dbraw/zinc/04/61/98/1127046198.db2.gz FOVLTZGLCAHDBN-MRXNPFEDSA-N 0 1 289.325 3.751 20 0 CHADMN CCN(Cc1ccn(-c2ccc(F)cc2F)n1)C1CCC1 ZINC000487950953 1127049488 /nfs/dbraw/zinc/04/94/88/1127049488.db2.gz QVQSYMDCGMVIAH-UHFFFAOYSA-N 0 1 291.345 3.525 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2cccc(Cl)c2)cn1 ZINC000487956329 1127050537 /nfs/dbraw/zinc/05/05/37/1127050537.db2.gz XIRNCUNUNPQEJP-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN Cc1nc(C)c(CN(C)Cc2ccc(F)cc2C)s1 ZINC000487985617 1127051617 /nfs/dbraw/zinc/05/16/17/1127051617.db2.gz HGDYNYYVOATQSW-UHFFFAOYSA-N 0 1 278.396 3.839 20 0 CHADMN COc1ccccc1[C@@H]1CCN(Cc2ncc(C3CC3)o2)C1 ZINC000270461537 1127055365 /nfs/dbraw/zinc/05/53/65/1127055365.db2.gz AJXRAUTUINUGHF-CQSZACIVSA-N 0 1 298.386 3.550 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cccc2O)c1ccc(Cl)nc1 ZINC000270515983 1127056822 /nfs/dbraw/zinc/05/68/22/1127056822.db2.gz QKXHSPCZKPHEBT-IINYFYTJSA-N 0 1 288.778 3.779 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]1C(C)(C)CC ZINC000569981768 1127057091 /nfs/dbraw/zinc/05/70/91/1127057091.db2.gz QQBQFIYQHDROES-OAHLLOKOSA-N 0 1 293.407 3.941 20 0 CHADMN c1nc(CN2CC[C@@H](Cc3ccccc3)C2)oc1C1CC1 ZINC000270598372 1127058622 /nfs/dbraw/zinc/05/86/22/1127058622.db2.gz LKKLHDUBATYYDN-HNNXBMFYSA-N 0 1 282.387 3.617 20 0 CHADMN CCC[N@@H+](CC)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000270681615 1127060446 /nfs/dbraw/zinc/06/04/46/1127060446.db2.gz CNORXPZSZQIGQB-GFCCVEGCSA-N 0 1 289.379 3.538 20 0 CHADMN CCCN(CC)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000270681615 1127060449 /nfs/dbraw/zinc/06/04/49/1127060449.db2.gz CNORXPZSZQIGQB-GFCCVEGCSA-N 0 1 289.379 3.538 20 0 CHADMN COc1ncccc1CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000488194372 1127061026 /nfs/dbraw/zinc/06/10/26/1127061026.db2.gz KDZRACPSOJSNTJ-GOSISDBHSA-N 0 1 294.398 3.742 20 0 CHADMN CCC(CC)(CNCc1csnn1)c1ccc(F)cc1 ZINC000668829237 1127061400 /nfs/dbraw/zinc/06/14/00/1127061400.db2.gz OSQIRQOAPUIJIE-UHFFFAOYSA-N 0 1 293.411 3.525 20 0 CHADMN Cc1ccc2oc(N[C@@H](C)c3n[nH]c(C(C)C)n3)nc2c1 ZINC000270748291 1127062087 /nfs/dbraw/zinc/06/20/87/1127062087.db2.gz XJRRBBHSQKGLCR-JTQLQIEISA-N 0 1 285.351 3.551 20 0 CHADMN COc1ccc2cc(C[N@@H+](C)Cc3c[nH]nc3C)ccc2c1 ZINC000271022086 1127064343 /nfs/dbraw/zinc/06/43/43/1127064343.db2.gz CPGISPXUQASOEP-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN COc1ccc2cc(CN(C)Cc3c[nH]nc3C)ccc2c1 ZINC000271022086 1127064345 /nfs/dbraw/zinc/06/43/45/1127064345.db2.gz CPGISPXUQASOEP-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN Cc1nc(CSCc2c(Cl)cccc2Cl)n[nH]1 ZINC000488237600 1127065315 /nfs/dbraw/zinc/06/53/15/1127065315.db2.gz ZLGVFMRWNOCJPQ-UHFFFAOYSA-N 0 1 288.203 3.853 20 0 CHADMN CC(C)N(Cc1cncs1)Cc1ccc(F)cc1 ZINC000271074839 1127068735 /nfs/dbraw/zinc/06/87/35/1127068735.db2.gz NVDMONRGYTXKCE-UHFFFAOYSA-N 0 1 264.369 3.693 20 0 CHADMN COc1ccccc1C1(CN[C@H](C)c2cscn2)CC1 ZINC000271131325 1127069660 /nfs/dbraw/zinc/06/96/60/1127069660.db2.gz LZXLZBKPWWPIJU-GFCCVEGCSA-N 0 1 288.416 3.534 20 0 CHADMN C[C@@H](N[C@@H](C)Cc1ccccc1F)c1cscn1 ZINC000271188692 1127072119 /nfs/dbraw/zinc/07/21/19/1127072119.db2.gz XEXNYSMLHKECBU-WDEREUQCSA-N 0 1 264.369 3.564 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C)c(C)c1 ZINC000271234438 1127073050 /nfs/dbraw/zinc/07/30/50/1127073050.db2.gz BXLYMZQCXQILDL-UHFFFAOYSA-N 0 1 279.290 3.525 20 0 CHADMN CCOc1ccc(Cl)cc1[C@@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000271406993 1127078616 /nfs/dbraw/zinc/07/86/16/1127078616.db2.gz ADHZZARPMJFULF-WDEREUQCSA-N 0 1 293.798 3.874 20 0 CHADMN CCc1nc([C@H](C)N[C@H](C)c2oc3ccccc3c2C)n[nH]1 ZINC000271419512 1127079479 /nfs/dbraw/zinc/07/94/79/1127079479.db2.gz BSVZMBPHSLQPIX-NEPJUHHUSA-N 0 1 298.390 3.834 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H](C)c2ccc(Cl)cc2)n[nH]1 ZINC000271434694 1127080379 /nfs/dbraw/zinc/08/03/79/1127080379.db2.gz DRBHLLDXMRIQMV-WDEREUQCSA-N 0 1 292.814 3.993 20 0 CHADMN CCC[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(OC)cc1 ZINC000271429398 1127080691 /nfs/dbraw/zinc/08/06/91/1127080691.db2.gz AXGKPIJKSGCHIT-IAGOWNOFSA-N 0 1 299.418 3.927 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H]2CCCc3sccc32)n[nH]1 ZINC000271438086 1127082050 /nfs/dbraw/zinc/08/20/50/1127082050.db2.gz DWVLBBBLUWOQFO-CMPLNLGQSA-N 0 1 290.436 3.718 20 0 CHADMN C[C@@H](N[C@H]1CC2(CCC2)Oc2ccccc21)c1cn[nH]c1 ZINC000271457793 1127083813 /nfs/dbraw/zinc/08/38/13/1127083813.db2.gz GYRKEJZMCPNQHR-DOMZBBRYSA-N 0 1 283.375 3.507 20 0 CHADMN Cn1c(CN2CCc3ccccc3CC2)cc2ccccc21 ZINC000911592398 1127084465 /nfs/dbraw/zinc/08/44/65/1127084465.db2.gz YQXWMBTYZOBJGL-UHFFFAOYSA-N 0 1 290.410 3.779 20 0 CHADMN Cc1cccnc1CN(Cc1cccs1)C(C)C ZINC000271488263 1127085597 /nfs/dbraw/zinc/08/55/97/1127085597.db2.gz JBYCOBJMFIBYFX-UHFFFAOYSA-N 0 1 260.406 3.862 20 0 CHADMN C[C@H](N[C@H](CO)c1ccc(F)cc1)c1ccc2c(c1)CCC2 ZINC000271490679 1127085846 /nfs/dbraw/zinc/08/58/46/1127085846.db2.gz OWRYKOFIDLAUFU-ORAYPTAESA-N 0 1 299.389 3.699 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H]1CCOc2ccc(F)cc21 ZINC000271515025 1127088586 /nfs/dbraw/zinc/08/85/86/1127088586.db2.gz IOIDKUMFRMRBTR-WBMJQRKESA-N 0 1 286.350 3.704 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000271530466 1127089505 /nfs/dbraw/zinc/08/95/05/1127089505.db2.gz QUVLKQSSMGEWBB-CABCVRRESA-N 0 1 255.365 3.528 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@H]2CCCc3c[nH]nc32)c1 ZINC000271537243 1127089841 /nfs/dbraw/zinc/08/98/41/1127089841.db2.gz SBLROTFSVFOWOE-BBRMVZONSA-N 0 1 269.392 3.755 20 0 CHADMN C[C@H](N[C@H]1CCCc2c[nH]nc21)c1cnc2ccsc2c1 ZINC000271542523 1127090842 /nfs/dbraw/zinc/09/08/42/1127090842.db2.gz SWIFQDGQEZQQDE-HZMBPMFUSA-N 0 1 298.415 3.748 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](CC)c2ccc(Cl)cc2)n[nH]1 ZINC000271549214 1127091095 /nfs/dbraw/zinc/09/10/95/1127091095.db2.gz RWNLLHUIINQZLJ-MFKMUULPSA-N 0 1 292.814 3.822 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(F)c(Cl)c1 ZINC000271554763 1127092014 /nfs/dbraw/zinc/09/20/14/1127092014.db2.gz VNOCZRGUDMDICP-OTYXRUKQSA-N 0 1 293.773 3.930 20 0 CHADMN CC[C@@H](N[C@H](C)c1cn[nH]c1)c1ccccc1OC(F)F ZINC000271564948 1127092341 /nfs/dbraw/zinc/09/23/41/1127092341.db2.gz UXMGRNNMWHCHTO-ZWNOBZJWSA-N 0 1 295.333 3.813 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000271554832 1127092509 /nfs/dbraw/zinc/09/25/09/1127092509.db2.gz VRABQQXPGXQRII-CMPLNLGQSA-N 0 1 261.394 3.508 20 0 CHADMN C[C@@H](N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cn[nH]c1 ZINC000271573632 1127092973 /nfs/dbraw/zinc/09/29/73/1127092973.db2.gz WBLKDFBMEYIWAN-CZUORRHYSA-N 0 1 297.402 3.897 20 0 CHADMN CCn1cc(CN[C@H](C)c2sc(C(C)C)nc2C)cn1 ZINC000271572724 1127093258 /nfs/dbraw/zinc/09/32/58/1127093258.db2.gz ZHTXAGHIQHYUSF-LLVKDONJSA-N 0 1 292.452 3.642 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000271599098 1127094169 /nfs/dbraw/zinc/09/41/69/1127094169.db2.gz ZICGNFABMBBTJL-WDEREUQCSA-N 0 1 278.425 3.710 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cn[nH]c1)c1cc(C)ccc1OC ZINC000271599089 1127094242 /nfs/dbraw/zinc/09/42/42/1127094242.db2.gz ZHPMAJWYJICWCP-SWLSCSKDSA-N 0 1 273.380 3.529 20 0 CHADMN CCc1noc(C)c1CN[C@@H](CC)c1ccccc1 ZINC000271683094 1127097033 /nfs/dbraw/zinc/09/70/33/1127097033.db2.gz PIUUWGDNCOSQCH-HNNXBMFYSA-N 0 1 258.365 3.786 20 0 CHADMN CCc1noc(C)c1CN[C@@H](C)c1ccc(C)cc1 ZINC000271688625 1127097043 /nfs/dbraw/zinc/09/70/43/1127097043.db2.gz QGJHAGUEVUKLGJ-LBPRGKRZSA-N 0 1 258.365 3.705 20 0 CHADMN CC(C)=CCC[C@@H](C)N[C@@H](C)c1nnc(C)s1 ZINC000274138911 1127108961 /nfs/dbraw/zinc/10/89/61/1127108961.db2.gz CUVTZBWOJRXFOJ-MNOVXSKESA-N 0 1 253.415 3.632 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@H](C)c1cncc(C)c1)CCO2 ZINC000274342705 1127113782 /nfs/dbraw/zinc/11/37/82/1127113782.db2.gz DMQCWTOJQSDQDP-DYVFJYSZSA-N 0 1 298.386 3.573 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cncc(F)c2)cc1 ZINC000274363622 1127113955 /nfs/dbraw/zinc/11/39/55/1127113955.db2.gz OCGJILQJHKPSSK-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN CC(C)[C@@H](C(=O)O[C@H](C)c1cccc(Cl)c1)N(C)C ZINC000798820176 1131051449 /nfs/dbraw/zinc/05/14/49/1131051449.db2.gz VNWBHWCVAPIQRB-RISCZKNCSA-N 0 1 283.799 3.530 20 0 CHADMN Cc1n[nH]c(C)c1CNCc1ccc(-c2ccccc2)o1 ZINC000339166736 1127117919 /nfs/dbraw/zinc/11/79/19/1127117919.db2.gz DGULPLLIGLPRMI-UHFFFAOYSA-N 0 1 281.359 3.576 20 0 CHADMN CCCCOCCN[C@H](c1cccc(C)c1)c1ccccn1 ZINC000924852504 1127118511 /nfs/dbraw/zinc/11/85/11/1127118511.db2.gz GYVCDZWUASKSCI-LJQANCHMSA-N 0 1 298.430 3.886 20 0 CHADMN CCSc1cccc(CNCc2cnc(C)s2)c1 ZINC000274453467 1127120191 /nfs/dbraw/zinc/12/01/91/1127120191.db2.gz RLNUQEVCVRVXJD-UHFFFAOYSA-N 0 1 278.446 3.853 20 0 CHADMN CC(C)n1ccc(CN[C@@H](C)[C@H]2Oc3ccccc3[C@@H]2C)n1 ZINC000348529445 1127121210 /nfs/dbraw/zinc/12/12/10/1127121210.db2.gz FAUFNNWAHHHWCI-DEYYWGMASA-N 0 1 299.418 3.507 20 0 CHADMN COc1cc(CN2CCC=C(c3ccco3)C2)cc(OC)c1 ZINC000348636562 1127122987 /nfs/dbraw/zinc/12/29/87/1127122987.db2.gz RFDWSULOTFZDQC-UHFFFAOYSA-N 0 1 299.370 3.586 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000283236027 1127126871 /nfs/dbraw/zinc/12/68/71/1127126871.db2.gz TXKKDYBRUOSEKJ-RBOXIYTFSA-N 0 1 297.402 3.522 20 0 CHADMN Cc1ccc(C)c(COC(=O)c2cc(-c3ccco3)n[nH]2)c1 ZINC000913298424 1127127911 /nfs/dbraw/zinc/12/79/11/1127127911.db2.gz KTBZTKCTCBMDKX-UHFFFAOYSA-N 0 1 296.326 3.644 20 0 CHADMN Cc1cc(C)cc(COC(=O)c2cc(-c3ccco3)n[nH]2)c1 ZINC000913299423 1127128233 /nfs/dbraw/zinc/12/82/33/1127128233.db2.gz JGHLVDMOFNBEKT-UHFFFAOYSA-N 0 1 296.326 3.644 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN(C[C@H]2CCCCO2)C2CC2)o1 ZINC000348811711 1127128757 /nfs/dbraw/zinc/12/87/57/1127128757.db2.gz WHMZTQAQSHGHOW-UNEWFSDZSA-N 0 1 289.419 3.937 20 0 CHADMN C[C@H](NCc1ccccn1)c1cccc(OC(F)(F)F)c1 ZINC000151167828 1127124098 /nfs/dbraw/zinc/12/40/98/1127124098.db2.gz JOTJVEVGFVOLTG-NSHDSACASA-N 0 1 296.292 3.831 20 0 CHADMN COc1cc([C@@H](C)N[C@H](C)c2cc(F)cc(F)c2)ccn1 ZINC000348675436 1127124217 /nfs/dbraw/zinc/12/42/17/1127124217.db2.gz BHLUXFXCGILLKJ-GHMZBOCLSA-N 0 1 292.329 3.780 20 0 CHADMN CCCCC[C@@H](NC(=O)Cc1cc(C)n[nH]1)c1ccccc1 ZINC000151328277 1127131539 /nfs/dbraw/zinc/13/15/39/1127131539.db2.gz JBYRWCSJEMRVON-QGZVFWFLSA-N 0 1 299.418 3.698 20 0 CHADMN Cc1cccc(CN(Cc2cccnc2)C2CC2)c1C ZINC000349242570 1127144631 /nfs/dbraw/zinc/14/46/31/1127144631.db2.gz MEAKHNSCSHIDAO-UHFFFAOYSA-N 0 1 266.388 3.863 20 0 CHADMN Cc1ccsc1CN(C)Cc1cnn(C(C)(C)C)c1 ZINC000349543919 1127152869 /nfs/dbraw/zinc/15/28/69/1127152869.db2.gz JMLRJVDEUYZWNQ-UHFFFAOYSA-N 0 1 277.437 3.640 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@H](c3ccccc3C)C2)s1 ZINC000283711466 1127153571 /nfs/dbraw/zinc/15/35/71/1127153571.db2.gz ZMAUIOBEEQTNRP-JSGCOSHPSA-N 0 1 287.432 3.705 20 0 CHADMN Cc1ccc(OCCCNCc2ncc(Cl)s2)cc1 ZINC000349567536 1127154115 /nfs/dbraw/zinc/15/41/15/1127154115.db2.gz YDAMWLUJWZKXMZ-UHFFFAOYSA-N 0 1 296.823 3.664 20 0 CHADMN Cc1ccccc1OCCCNCc1ncc(Cl)s1 ZINC000349561654 1127154315 /nfs/dbraw/zinc/15/43/15/1127154315.db2.gz ACLOJUVDARYLPL-UHFFFAOYSA-N 0 1 296.823 3.664 20 0 CHADMN CCN(Cc1cccs1)Cc1cnc2cccc(C)n12 ZINC000349547152 1127154360 /nfs/dbraw/zinc/15/43/60/1127154360.db2.gz ZZTVRGJHSPWXHI-UHFFFAOYSA-N 0 1 285.416 3.726 20 0 CHADMN CCC(CC)[C@@H](CCNCc1ncc(Cl)s1)OC ZINC000349627522 1127155732 /nfs/dbraw/zinc/15/57/32/1127155732.db2.gz CVPVHSQSCQZRRC-LLVKDONJSA-N 0 1 290.860 3.727 20 0 CHADMN CCc1cccc(C)c1C[N@@H+](C)Cc1cncs1 ZINC001237330881 1131087326 /nfs/dbraw/zinc/08/73/26/1131087326.db2.gz UMPOADZONYGEIB-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN CCc1cccc(C)c1CN(C)Cc1cncs1 ZINC001237330881 1131087330 /nfs/dbraw/zinc/08/73/30/1131087330.db2.gz UMPOADZONYGEIB-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN Cc1ccc(CC[C@@H](C)NCc2ncc(Cl)s2)o1 ZINC000349655813 1127156618 /nfs/dbraw/zinc/15/66/18/1127156618.db2.gz NHWNAYNTVYARDJ-SECBINFHSA-N 0 1 284.812 3.809 20 0 CHADMN CN(C)c1ccccc1CN(C)Cc1ccc(F)c(F)c1 ZINC000349735688 1127159470 /nfs/dbraw/zinc/15/94/70/1127159470.db2.gz YQIWDCQYLBJICK-UHFFFAOYSA-N 0 1 290.357 3.663 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N1CC[C@@H](C)[C@H]1C ZINC000283963212 1127166709 /nfs/dbraw/zinc/16/67/09/1127166709.db2.gz DYDHUBONCSADRG-JHJVBQTASA-N 0 1 271.364 3.528 20 0 CHADMN CC[C@@H](N[C@@H](C)c1snnc1C)c1ccccc1 ZINC000930187812 1127167703 /nfs/dbraw/zinc/16/77/03/1127167703.db2.gz HFMODYWEINVYAT-GXFFZTMASA-N 0 1 261.394 3.648 20 0 CHADMN CN(CCc1ccc(Cl)cc1)Cc1cc2ccccn2n1 ZINC001237444768 1131100126 /nfs/dbraw/zinc/10/01/26/1131100126.db2.gz DTVPCDBZFVMUMW-UHFFFAOYSA-N 0 1 299.805 3.662 20 0 CHADMN CC(C)c1cccc(CN2CCOC[C@H]2C(C)C)c1 ZINC001237462563 1131102379 /nfs/dbraw/zinc/10/23/79/1131102379.db2.gz MZDFXBRHWSNQGR-KRWDZBQOSA-N 0 1 261.409 3.667 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2cnc(Cl)s2)C1 ZINC000164577636 1127171359 /nfs/dbraw/zinc/17/13/59/1127171359.db2.gz HEYYGQYWVHFIDG-SECBINFHSA-N 0 1 258.818 3.665 20 0 CHADMN CCCn1cc(CN(Cc2cccs2)C(C)C)cn1 ZINC000350279173 1127176032 /nfs/dbraw/zinc/17/60/32/1127176032.db2.gz NSDMBUMHDHNCQW-UHFFFAOYSA-N 0 1 277.437 3.765 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2conc2C)cc1 ZINC000350315848 1127176929 /nfs/dbraw/zinc/17/69/29/1127176929.db2.gz WPMQQGBVEKVLTF-QGZVFWFLSA-N 0 1 286.375 3.719 20 0 CHADMN Cc1nccc(N(Cc2ccccn2)C2CC2)c1Cl ZINC000350311213 1127177401 /nfs/dbraw/zinc/17/74/01/1127177401.db2.gz GLQXFLLYLJCHNE-UHFFFAOYSA-N 0 1 273.767 3.607 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CC[C@@H](C)C3(CCC3)C2)[nH]1 ZINC000284394622 1127181807 /nfs/dbraw/zinc/18/18/07/1127181807.db2.gz MYFOOSNLJXYBHO-GFCCVEGCSA-N 0 1 297.402 3.524 20 0 CHADMN Cc1cc(CN[C@H]2C[C@H](C)Sc3sccc32)n(C)n1 ZINC000284411047 1127183148 /nfs/dbraw/zinc/18/31/48/1127183148.db2.gz QGCYVASDRHARER-GWCFXTLKSA-N 0 1 293.461 3.505 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cc3ccc(F)cc3[nH]2)CCC1(F)F ZINC000571933570 1127184133 /nfs/dbraw/zinc/18/41/33/1127184133.db2.gz AQVSHVDADLRNRO-SNVBAGLBSA-N 0 1 282.309 3.784 20 0 CHADMN C[C@@H]1CN(Cc2cc3ccc(F)cc3[nH]2)CCC1(F)F ZINC000571933570 1127184135 /nfs/dbraw/zinc/18/41/35/1127184135.db2.gz AQVSHVDADLRNRO-SNVBAGLBSA-N 0 1 282.309 3.784 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1cnc(C(C)(C)C)nc1 ZINC000284459243 1127184416 /nfs/dbraw/zinc/18/44/16/1127184416.db2.gz UYOIMNMDYKVQSH-AWEZNQCLSA-N 0 1 283.419 3.967 20 0 CHADMN CC[C@@H](NC[C@H](OC)c1ccccc1)c1nc(C)cs1 ZINC000284461105 1127185554 /nfs/dbraw/zinc/18/55/54/1127185554.db2.gz RXFKYZHLWCMSAL-CABCVRRESA-N 0 1 290.432 3.880 20 0 CHADMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1cc(C)no1 ZINC000351144877 1127186368 /nfs/dbraw/zinc/18/63/68/1127186368.db2.gz MYLBFEVFYCJKPU-XHDPSFHLSA-N 0 1 294.782 3.502 20 0 CHADMN CC[C@](C)(NC[C@@H](OC)c1ccccc1)c1nccs1 ZINC000284486781 1127186477 /nfs/dbraw/zinc/18/64/77/1127186477.db2.gz UDLYKNKQSJVVGK-ZBFHGGJFSA-N 0 1 290.432 3.746 20 0 CHADMN CCO[C@@H]1C[C@H](N(C)Cc2cc(C)no2)C12CCCCC2 ZINC000351512048 1127190716 /nfs/dbraw/zinc/19/07/16/1127190716.db2.gz DOQQTKXVKHLBGV-JKSUJKDBSA-N 0 1 292.423 3.543 20 0 CHADMN C[C@H](NCc1ccnc(OC(F)F)c1)c1ccc(F)cc1 ZINC000284623726 1127193396 /nfs/dbraw/zinc/19/33/96/1127193396.db2.gz ZSVFCVROXGVSEH-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN COc1ccsc1CNc1nccn1Cc1ccccc1 ZINC000351571118 1127194147 /nfs/dbraw/zinc/19/41/47/1127194147.db2.gz SYDRWKWENWKXOK-UHFFFAOYSA-N 0 1 299.399 3.614 20 0 CHADMN CC(C)Cn1ccnc1NCc1cc(F)cc(Cl)c1 ZINC000351566966 1127194466 /nfs/dbraw/zinc/19/44/66/1127194466.db2.gz HUMMTSJYIOHWIB-UHFFFAOYSA-N 0 1 281.762 3.944 20 0 CHADMN Cc1nn(C(C)C)cc1CNc1nccn1-c1ccccc1 ZINC000351568259 1127194602 /nfs/dbraw/zinc/19/46/02/1127194602.db2.gz MORQTCFTACPRKQ-UHFFFAOYSA-N 0 1 295.390 3.570 20 0 CHADMN Cc1cc(CN2[C@@H](C)CC[C@H]2CO)c(Cl)cc1Cl ZINC001237694953 1131128296 /nfs/dbraw/zinc/12/82/96/1131128296.db2.gz AFAZFEFWWIKYES-JQWIXIFHSA-N 0 1 288.218 3.647 20 0 CHADMN CCCN(Cc1cnn(CCC)c1)Cc1ccc(F)cc1 ZINC000351600330 1127197715 /nfs/dbraw/zinc/19/77/15/1127197715.db2.gz DFQKRXOOLYSXOZ-UHFFFAOYSA-N 0 1 289.398 3.844 20 0 CHADMN CCN(Cc1occc1C)Cc1ccc(F)c(F)c1 ZINC000351623553 1127199084 /nfs/dbraw/zinc/19/90/84/1127199084.db2.gz RKAHVOSVFKIHAY-UHFFFAOYSA-N 0 1 265.303 3.888 20 0 CHADMN CC[C@@H](C)c1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1 ZINC000760710440 1127199919 /nfs/dbraw/zinc/19/99/19/1127199919.db2.gz HIMHKZYJUFWWDY-LLVKDONJSA-N 0 1 294.358 3.724 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)CC(C)(C)C)n[nH]2)cc1 ZINC000588861570 1127203173 /nfs/dbraw/zinc/20/31/73/1127203173.db2.gz NULIEWKRUANAOD-UHFFFAOYSA-N 0 1 285.391 3.503 20 0 CHADMN CSC[C@@H](C)N[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000284748910 1127204200 /nfs/dbraw/zinc/20/42/00/1127204200.db2.gz FDHJDGNLPCGDIT-MLGOLLRUSA-N 0 1 290.407 3.651 20 0 CHADMN COc1ccccc1[C@@H](CC(C)C)NCc1cnc(C)nc1 ZINC000351723282 1127205565 /nfs/dbraw/zinc/20/55/65/1127205565.db2.gz YWRRUBLZHXUYBQ-QGZVFWFLSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1ncc(CN[C@H](c2ccc(F)cc2F)C(C)C)cn1 ZINC000351730974 1127206428 /nfs/dbraw/zinc/20/64/28/1127206428.db2.gz MZCQEMSNGYGNCE-INIZCTEOSA-N 0 1 291.345 3.550 20 0 CHADMN CC[C@H](C)CONC(=O)[C@H](c1ccccc1)C(C)C ZINC000816980156 1131135776 /nfs/dbraw/zinc/13/57/76/1131135776.db2.gz GINCLHAXTMWBKI-ZFWWWQNUSA-N 0 1 263.381 3.520 20 0 CHADMN C[C@H]([N@@H+](C)Cc1cccc(O)c1Cl)C1(C)CC1 ZINC000351773505 1127208451 /nfs/dbraw/zinc/20/84/51/1127208451.db2.gz GOUFCDFZVCHMCS-JTQLQIEISA-N 0 1 253.773 3.666 20 0 CHADMN C[C@H]([N@H+](C)Cc1cccc([O-])c1Cl)C1(C)CC1 ZINC000351773505 1127208455 /nfs/dbraw/zinc/20/84/55/1127208455.db2.gz GOUFCDFZVCHMCS-JTQLQIEISA-N 0 1 253.773 3.666 20 0 CHADMN C[C@H]([N@@H+](C)Cc1cccc([O-])c1Cl)C1(C)CC1 ZINC000351773505 1127208457 /nfs/dbraw/zinc/20/84/57/1127208457.db2.gz GOUFCDFZVCHMCS-JTQLQIEISA-N 0 1 253.773 3.666 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC2(CCOCC2)CC1 ZINC000284855144 1127209723 /nfs/dbraw/zinc/20/97/23/1127209723.db2.gz UEQGWRMJEXFQOZ-CYBMUJFWSA-N 0 1 295.373 3.918 20 0 CHADMN CC(C)(C)c1nnc(CN2CCC[C@H]2C2CCCC2)o1 ZINC000056308591 1127211249 /nfs/dbraw/zinc/21/12/49/1127211249.db2.gz FIZKYBMUUVOJLO-ZDUSSCGKSA-N 0 1 277.412 3.522 20 0 CHADMN CCc1cccc(CC)c1NS(=O)(=O)c1ccsc1 ZINC000285005990 1127214321 /nfs/dbraw/zinc/21/43/21/1127214321.db2.gz GBCPDDHCIDPOHB-UHFFFAOYSA-N 0 1 295.429 3.674 20 0 CHADMN Cc1noc(C(C)(C)N[C@H]2CC[C@@](C)(c3ccccc3)C2)n1 ZINC000285242138 1127220699 /nfs/dbraw/zinc/22/06/99/1127220699.db2.gz SNIZDBRXSKDIDB-MAUKXSAKSA-N 0 1 299.418 3.713 20 0 CHADMN CC(C)Cn1ccnc1NCc1ccc2ncccc2c1 ZINC000285319937 1127222321 /nfs/dbraw/zinc/22/23/21/1127222321.db2.gz WLSFVEHXZLQOAC-UHFFFAOYSA-N 0 1 280.375 3.699 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2C[C@H](c3cccc(F)c3)C2)no1 ZINC000285327906 1127223027 /nfs/dbraw/zinc/22/30/27/1127223027.db2.gz UDTCPQSCOKPOCM-UXIGCNINSA-N 0 1 274.339 3.719 20 0 CHADMN Clc1ccc(CN2CC[C@@H]3CCCC[C@@H]3C2)nc1 ZINC001116490292 1131149594 /nfs/dbraw/zinc/14/95/94/1131149594.db2.gz APZCJFQZOIAVIP-QWHCGFSZSA-N 0 1 264.800 3.747 20 0 CHADMN CCc1cccc(CN2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000352390817 1127228234 /nfs/dbraw/zinc/22/82/34/1127228234.db2.gz GSVRYLAVRUXYJS-INIZCTEOSA-N 0 1 289.810 3.546 20 0 CHADMN CCCOc1ccc(CNC2(CF)CCC2)cc1OCC ZINC000572878431 1127229241 /nfs/dbraw/zinc/22/92/41/1127229241.db2.gz GFSXSFFHIIUHHH-UHFFFAOYSA-N 0 1 295.398 3.856 20 0 CHADMN Cc1ccccc1CN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000589604714 1127229342 /nfs/dbraw/zinc/22/93/42/1127229342.db2.gz JGDFJHMZPWCUQD-VQIMIIECSA-N 0 1 281.399 3.957 20 0 CHADMN Cc1cccc(CN2C[C@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000589605594 1127229938 /nfs/dbraw/zinc/22/99/38/1127229938.db2.gz WIIAYIKEBYBFQR-QFBILLFUSA-N 0 1 281.399 3.957 20 0 CHADMN CO[C@@]1(C)CCCN(Cc2ccccc2C(F)(F)F)C1 ZINC000352412331 1127230452 /nfs/dbraw/zinc/23/04/52/1127230452.db2.gz DVVHBRAWYFEDBU-AWEZNQCLSA-N 0 1 287.325 3.706 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2)c2ccc(C)cc2)[nH]n1 ZINC000589633774 1127230744 /nfs/dbraw/zinc/23/07/44/1127230744.db2.gz IURZLCVDSQGENY-IBGZPJMESA-N 0 1 291.398 3.906 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc3cccnc3c2)o1 ZINC000589635506 1127231437 /nfs/dbraw/zinc/23/14/37/1127231437.db2.gz SGKBFNWDCDEKPZ-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000352433568 1127232093 /nfs/dbraw/zinc/23/20/93/1127232093.db2.gz WICKDBHBQPCSCT-COXVUDFISA-N 0 1 289.394 3.920 20 0 CHADMN c1ccc2c(CN[C@@H]3CSCc4ccccc43)n[nH]c2c1 ZINC000589647374 1127233645 /nfs/dbraw/zinc/23/36/45/1127233645.db2.gz DTXZCOFDQYUYNN-QGZVFWFLSA-N 0 1 295.411 3.641 20 0 CHADMN c1ccc2c(c1)n[nH]c2CN[C@@H]1CSCc2ccccc21 ZINC000589647374 1127233647 /nfs/dbraw/zinc/23/36/47/1127233647.db2.gz DTXZCOFDQYUYNN-QGZVFWFLSA-N 0 1 295.411 3.641 20 0 CHADMN c1ccc2c(CN[C@@H]3CCCOc4ccccc43)n[nH]c2c1 ZINC000589647888 1127233660 /nfs/dbraw/zinc/23/36/60/1127233660.db2.gz LVBHSMCRWHFATO-OAHLLOKOSA-N 0 1 293.370 3.566 20 0 CHADMN CC(C)n1cc(CN[C@H]2CCc3sc(Cl)cc32)cn1 ZINC000352453021 1127233730 /nfs/dbraw/zinc/23/37/30/1127233730.db2.gz JSMFLQZCXARKLU-LBPRGKRZSA-N 0 1 295.839 3.956 20 0 CHADMN Cc1ccnc([C@H](C)N[C@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000285533391 1127235855 /nfs/dbraw/zinc/23/58/55/1127235855.db2.gz BUSPZMZWIBESGB-KFKAGJAMSA-N 0 1 296.414 3.961 20 0 CHADMN CC(C)O[C@@H]1C[C@@H](N[C@@H](C)c2c(F)cncc2F)C1(C)C ZINC000285530163 1127235897 /nfs/dbraw/zinc/23/58/97/1127235897.db2.gz CMZDFUXNGCTCLY-ZLKJLUDKSA-N 0 1 298.377 3.603 20 0 CHADMN Cc1cc2cc(CNCc3cnn(C(C)C)c3)ccc2[nH]1 ZINC000285621178 1127238718 /nfs/dbraw/zinc/23/87/18/1127238718.db2.gz YBZCOVGQTWOPBQ-UHFFFAOYSA-N 0 1 282.391 3.544 20 0 CHADMN Cc1cc2cc(CN[C@H](C)c3cnc(C)nc3C)ccc2[nH]1 ZINC000285671302 1127241017 /nfs/dbraw/zinc/24/10/17/1127241017.db2.gz MZXWIICLPCCMHU-GFCCVEGCSA-N 0 1 294.402 3.734 20 0 CHADMN CN(Cc1ccc(C2CCC2)cc1)Cc1cccnc1 ZINC000352835655 1127246436 /nfs/dbraw/zinc/24/64/36/1127246436.db2.gz ZDAYJCCNJIJOAP-UHFFFAOYSA-N 0 1 266.388 3.981 20 0 CHADMN CSCc1cnc(CN2CCCC[C@@H](C)C2)s1 ZINC000352946636 1127252663 /nfs/dbraw/zinc/25/26/63/1127252663.db2.gz MXYLZERDKRNKGS-LLVKDONJSA-N 0 1 270.467 3.628 20 0 CHADMN CC1(C)CN(C[C@@H](O)c2ccc(F)cc2Cl)C1(C)C ZINC001116650977 1131159103 /nfs/dbraw/zinc/15/91/03/1131159103.db2.gz JOHOZBWWCMDRED-CYBMUJFWSA-N 0 1 285.790 3.633 20 0 CHADMN CCCCC[C@@](C)(CC)C(=O)Nc1nc(C(C)C)n[nH]1 ZINC001116703753 1131161582 /nfs/dbraw/zinc/16/15/82/1131161582.db2.gz WQQNFNDGXCKUAE-OAHLLOKOSA-N 0 1 280.416 3.863 20 0 CHADMN CCCCC[C@@](C)(CC)C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001116703753 1131161587 /nfs/dbraw/zinc/16/15/87/1131161587.db2.gz WQQNFNDGXCKUAE-OAHLLOKOSA-N 0 1 280.416 3.863 20 0 CHADMN Clc1cccc(C2(NCc3ccccn3)CCC2)c1 ZINC000646095393 1127255005 /nfs/dbraw/zinc/25/50/05/1127255005.db2.gz PEXIPHVVFXUWDE-UHFFFAOYSA-N 0 1 272.779 3.904 20 0 CHADMN Oc1cccc(C[N@H+]2CCCC23CCC3)c1Cl ZINC000353226849 1127264641 /nfs/dbraw/zinc/26/46/41/1127264641.db2.gz GZQJMHYCEXSATQ-UHFFFAOYSA-N 0 1 251.757 3.564 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCCC23CCC3)c1Cl ZINC000353226849 1127264643 /nfs/dbraw/zinc/26/46/43/1127264643.db2.gz GZQJMHYCEXSATQ-UHFFFAOYSA-N 0 1 251.757 3.564 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCCC23CCC3)c1Cl ZINC000353226849 1127264646 /nfs/dbraw/zinc/26/46/46/1127264646.db2.gz GZQJMHYCEXSATQ-UHFFFAOYSA-N 0 1 251.757 3.564 20 0 CHADMN Cc1ccnc([C@H](C)N[C@H](C)c2cccc(O)c2)c1 ZINC000286281748 1127264951 /nfs/dbraw/zinc/26/49/51/1127264951.db2.gz VSXLCHASSPKHBM-OLZOCXBDSA-N 0 1 256.349 3.507 20 0 CHADMN Cc1ccnc([C@H](C)N[C@@H]2CCCOc3ccccc32)c1 ZINC000286356213 1127266075 /nfs/dbraw/zinc/26/60/75/1127266075.db2.gz ZAHMAHSDGAEIRP-GOEBONIOSA-N 0 1 282.387 3.955 20 0 CHADMN COc1ccc(CCN[C@H](C)c2cc(C)on2)c(Cl)c1 ZINC000353276981 1127266655 /nfs/dbraw/zinc/26/66/55/1127266655.db2.gz NWGJGXSSNQOTDY-LLVKDONJSA-N 0 1 294.782 3.538 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc[nH]c1C(C)C ZINC000286422651 1127267357 /nfs/dbraw/zinc/26/73/57/1127267357.db2.gz GMJRRJJKLDQURZ-UHFFFAOYSA-N 0 1 282.347 3.575 20 0 CHADMN CCc1cnc(CNC/C=C/c2ccc(F)c(F)c2)s1 ZINC000286449293 1127267959 /nfs/dbraw/zinc/26/79/59/1127267959.db2.gz JRCPSADELWDVNZ-ONEGZZNKSA-N 0 1 294.370 3.787 20 0 CHADMN CC(C)(NC/C=C/c1ccc(F)c(F)c1)c1nccs1 ZINC000286492641 1127268813 /nfs/dbraw/zinc/26/88/13/1127268813.db2.gz LWMREBNKIDJBJP-ONEGZZNKSA-N 0 1 294.370 3.959 20 0 CHADMN CCC(CC)N(C(=O)c1cc(C)cc2c[nH]nc21)C1CC1 ZINC000590708854 1127269015 /nfs/dbraw/zinc/26/90/15/1127269015.db2.gz QYKIHUKEQQPLAT-UHFFFAOYSA-N 0 1 285.391 3.665 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]2C2CC2)cc1Br ZINC000590787861 1127272936 /nfs/dbraw/zinc/27/29/36/1127272936.db2.gz LJTWLMCXUGWDBB-CQSZACIVSA-N 0 1 298.199 3.963 20 0 CHADMN Cc1[nH+]ccn1CCC[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000286730285 1127273206 /nfs/dbraw/zinc/27/32/06/1127273206.db2.gz HCZJNXQSQLMTDB-OAHLLOKOSA-N 0 1 289.448 3.726 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(CC(C)C)CC(C)C)c1 ZINC000353803442 1127274714 /nfs/dbraw/zinc/27/47/14/1127274714.db2.gz PXBFNEXNWVWBEV-UHFFFAOYSA-N 0 1 287.407 3.626 20 0 CHADMN COc1cc([C@H](C)N[C@@H](C)c2ccccc2C)c(F)cn1 ZINC000286871932 1127275298 /nfs/dbraw/zinc/27/52/98/1127275298.db2.gz HOBISCREXQOYRQ-STQMWFEESA-N 0 1 288.366 3.950 20 0 CHADMN Cc1ccc(-c2ncc(CN3C[C@@H]4CCC[C@@H]43)s2)o1 ZINC000353898759 1127277401 /nfs/dbraw/zinc/27/74/01/1127277401.db2.gz LGBCKINRXDAPGI-AAEUAGOBSA-N 0 1 274.389 3.696 20 0 CHADMN CC(C)=CCC[C@H](C)NCc1nccc(C(F)F)n1 ZINC000287002873 1127280997 /nfs/dbraw/zinc/28/09/97/1127280997.db2.gz KDRMPCGQGSWUSG-NSHDSACASA-N 0 1 269.339 3.639 20 0 CHADMN CC(C)Cc1ncc(CN2CCS[C@H](C(C)C)C2)s1 ZINC000353948206 1127281196 /nfs/dbraw/zinc/28/11/96/1127281196.db2.gz SEEQBRJQEILBNC-AWEZNQCLSA-N 0 1 298.521 3.915 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)cn1)c1ccc2n[nH]cc2c1 ZINC000353995365 1127283970 /nfs/dbraw/zinc/28/39/70/1127283970.db2.gz HXJORBBNJLVZAG-MNOVXSKESA-N 0 1 284.338 3.509 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc2n[nH]cc2c1)c1ccco1 ZINC000353996339 1127284360 /nfs/dbraw/zinc/28/43/60/1127284360.db2.gz OLQJKDNOZUYVHY-GHMZBOCLSA-N 0 1 255.321 3.568 20 0 CHADMN C[C@H](C(=O)c1c[nH]c2ncccc12)N1CC[C@@H](C)C(C)(C)C1 ZINC000354001068 1127284798 /nfs/dbraw/zinc/28/47/98/1127284798.db2.gz GMGQWSJXHZDRBU-CHWSQXEVSA-N 0 1 299.418 3.502 20 0 CHADMN CCc1cnc(CN(C)[C@H]2CCC[C@@H](C)C2)s1 ZINC000354011511 1127284887 /nfs/dbraw/zinc/28/48/87/1127284887.db2.gz SZRLPEROWZRRKA-NEPJUHHUSA-N 0 1 252.427 3.716 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1nc(-c2ccc3c(c2)CCC3)no1 ZINC000354031629 1127286124 /nfs/dbraw/zinc/28/61/24/1127286124.db2.gz MCPFRIKBCOTQNM-STQMWFEESA-N 0 1 297.402 3.598 20 0 CHADMN C[C@@H]1CCN(Cc2nc(C3CC3)cs2)CC1(C)C ZINC000354025123 1127286477 /nfs/dbraw/zinc/28/64/77/1127286477.db2.gz ZBXGXWZSONSNQY-LLVKDONJSA-N 0 1 264.438 3.889 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1Cc1csc(COC)n1 ZINC000354034896 1127287745 /nfs/dbraw/zinc/28/77/45/1127287745.db2.gz UQKRNQJXRVQVGV-OCCSQVGLSA-N 0 1 282.453 3.690 20 0 CHADMN Fc1ccc([C@H]2CCCCN2Cc2ccncc2)cc1 ZINC000354081039 1127290715 /nfs/dbraw/zinc/29/07/15/1127290715.db2.gz DNFLBWJWHJRPIV-QGZVFWFLSA-N 0 1 270.351 3.948 20 0 CHADMN CCc1cnc(CN(C)c2ccnc(C)c2Cl)s1 ZINC000354071464 1127289799 /nfs/dbraw/zinc/28/97/99/1127289799.db2.gz KILPUKITVDFYLR-UHFFFAOYSA-N 0 1 281.812 3.699 20 0 CHADMN Fc1ccc([C@@H]2CCCCN2Cc2ccncc2)cc1 ZINC000354081038 1127290423 /nfs/dbraw/zinc/29/04/23/1127290423.db2.gz DNFLBWJWHJRPIV-KRWDZBQOSA-N 0 1 270.351 3.948 20 0 CHADMN c1cc2c(cccc2CN2CCOC[C@H]2c2ccccc2)[nH]1 ZINC000354131687 1127296055 /nfs/dbraw/zinc/29/60/55/1127296055.db2.gz RWRKCUMDQYSBRL-IBGZPJMESA-N 0 1 292.382 3.741 20 0 CHADMN CCc1cnc(CN2CC[C@H](c3ccccc3F)C2)s1 ZINC000354125524 1127295324 /nfs/dbraw/zinc/29/53/24/1127295324.db2.gz DUQLNPMAPPYDRL-LBPRGKRZSA-N 0 1 290.407 3.834 20 0 CHADMN CCOC(=O)c1coc(CNC2(c3ccccc3)CCC2)c1 ZINC000354147598 1127295725 /nfs/dbraw/zinc/29/57/25/1127295725.db2.gz UQIMGHORBKHLEH-UHFFFAOYSA-N 0 1 299.370 3.625 20 0 CHADMN CSCCN[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000591239140 1127291684 /nfs/dbraw/zinc/29/16/84/1127291684.db2.gz GZOUDKORYZWNQE-NSHDSACASA-N 0 1 278.446 3.824 20 0 CHADMN CC[C@]1(C)CCN(Cc2csc(C(C)C)n2)C1 ZINC000354088310 1127291740 /nfs/dbraw/zinc/29/17/40/1127291740.db2.gz NXYFTUVCAYMTQZ-CQSZACIVSA-N 0 1 252.427 3.889 20 0 CHADMN COc1cccc2c1CC[C@H]2Nc1ccnc(C)c1Cl ZINC000354155292 1127296704 /nfs/dbraw/zinc/29/67/04/1127296704.db2.gz KUQNYRDJLMBBBX-CYBMUJFWSA-N 0 1 288.778 3.573 20 0 CHADMN COCCN(Cc1ccccc1)c1ccnc(C)c1Cl ZINC000354164267 1127297278 /nfs/dbraw/zinc/29/72/78/1127297278.db2.gz PMNNBEFRUHGQHX-UHFFFAOYSA-N 0 1 290.794 3.696 20 0 CHADMN COCc1cnc(CN2CC[C@H](C(C)(C)C)C[C@@H]2C)s1 ZINC000573167694 1127298644 /nfs/dbraw/zinc/29/86/44/1127298644.db2.gz UTHZCKFAETUOEB-STQMWFEESA-N 0 1 296.480 3.936 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1c(C)nsc1C ZINC000573263171 1127305444 /nfs/dbraw/zinc/30/54/44/1127305444.db2.gz HSWCLRZYNLHWRF-SNVBAGLBSA-N 0 1 275.421 3.568 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2cc(OC)ncc2F)s1 ZINC000287599291 1127310574 /nfs/dbraw/zinc/31/05/74/1127310574.db2.gz INCCOYXPJNUXPY-JTQLQIEISA-N 0 1 294.395 3.704 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C(C)(C)C3CC3)c2C)o1 ZINC000287836810 1127314291 /nfs/dbraw/zinc/31/42/91/1127314291.db2.gz CLFILSFKUXKNFF-UHFFFAOYSA-N 0 1 287.363 3.661 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000573615816 1127320202 /nfs/dbraw/zinc/32/02/02/1127320202.db2.gz BNXHVWWMZZNACX-KRWDZBQOSA-N 0 1 285.387 3.915 20 0 CHADMN CC[C@@H](N[C@H](C)c1nc(C(C)C)no1)C(C)(C)C ZINC000591819125 1127320367 /nfs/dbraw/zinc/32/03/67/1127320367.db2.gz FETICXTZQFLOSC-GHMZBOCLSA-N 0 1 253.390 3.668 20 0 CHADMN CC(C)(C)c1nc(CNCC2(C(F)F)CC2)cs1 ZINC000355145319 1127320955 /nfs/dbraw/zinc/32/09/55/1127320955.db2.gz DXMMPAPWGQFIPI-UHFFFAOYSA-N 0 1 274.380 3.576 20 0 CHADMN Fc1ccccc1CN1CCCO[C@H](c2ccccc2)C1 ZINC000591812022 1127322376 /nfs/dbraw/zinc/32/23/76/1127322376.db2.gz VXTGQQOMBHPUOO-SFHVURJKSA-N 0 1 285.362 3.789 20 0 CHADMN c1cc(-c2noc(CN(C3CC3)C3CCCCC3)n2)co1 ZINC000591808750 1127322395 /nfs/dbraw/zinc/32/23/95/1127322395.db2.gz QZCGUZPNMVARME-UHFFFAOYSA-N 0 1 287.363 3.627 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(C(=O)c1cc(C)cc2c[nH]nc21)C1CC1 ZINC000355184878 1127323417 /nfs/dbraw/zinc/32/34/17/1127323417.db2.gz RBECWSDASOYOCQ-CHWSQXEVSA-N 0 1 299.418 3.911 20 0 CHADMN Clc1ccc2ncc(CN3CCCC4(CCC4)C3)n2c1 ZINC000355211225 1127325054 /nfs/dbraw/zinc/32/50/54/1127325054.db2.gz CPPYTRKELYKMJN-UHFFFAOYSA-N 0 1 289.810 3.754 20 0 CHADMN CCCC1(c2nc(-c3ccn4cncc4c3)no2)CCC1 ZINC000573909720 1127332026 /nfs/dbraw/zinc/33/20/26/1127332026.db2.gz DYWJGLBPXVDQMD-UHFFFAOYSA-N 0 1 282.347 3.606 20 0 CHADMN O=C(Nc1ccccc1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000355370479 1127337127 /nfs/dbraw/zinc/33/71/27/1127337127.db2.gz MQCSQPBCJNSPRM-SFHVURJKSA-N 0 1 294.398 3.680 20 0 CHADMN C[C@@H](CF)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000288415421 1127337417 /nfs/dbraw/zinc/33/74/17/1127337417.db2.gz JHKGGACIYZXASG-VIFPVBQESA-N 0 1 284.787 3.911 20 0 CHADMN CCN(CCSC)[C@H](C)c1nc2ccccc2o1 ZINC000592201476 1127340809 /nfs/dbraw/zinc/34/08/09/1127340809.db2.gz HDTSHEIKMBQAIA-LLVKDONJSA-N 0 1 264.394 3.574 20 0 CHADMN CC[C@@H]1CCC[C@H](CNCc2nccc(C(F)F)n2)C1 ZINC000288475002 1127342134 /nfs/dbraw/zinc/34/21/34/1127342134.db2.gz PHHIAELFIIZSEE-NEPJUHHUSA-N 0 1 283.366 3.720 20 0 CHADMN CC[C@H]1CCC[C@@H](CNCc2nccc(C(F)F)n2)C1 ZINC000288475005 1127342260 /nfs/dbraw/zinc/34/22/60/1127342260.db2.gz PHHIAELFIIZSEE-NWDGAFQWSA-N 0 1 283.366 3.720 20 0 CHADMN COc1ccccc1[C@H]1CCCCN1Cc1cccnc1 ZINC000592328738 1127342358 /nfs/dbraw/zinc/34/23/58/1127342358.db2.gz DIVDEUBBGHAJST-QGZVFWFLSA-N 0 1 282.387 3.817 20 0 CHADMN CCCOc1c(Cl)cc(CN[C@@H](C)CF)cc1OC ZINC000288499067 1127343264 /nfs/dbraw/zinc/34/32/64/1127343264.db2.gz RPGDLYZPWNXZHH-JTQLQIEISA-N 0 1 289.778 3.585 20 0 CHADMN Cc1ccncc1CN(C)Cc1coc2ccccc12 ZINC000355604400 1127353909 /nfs/dbraw/zinc/35/39/09/1127353909.db2.gz HIWPBHVXPKHZBC-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc2ccccc2o1 ZINC000355616481 1127354462 /nfs/dbraw/zinc/35/44/62/1127354462.db2.gz HQWNJECBOCFAJE-UHFFFAOYSA-N 0 1 291.257 3.654 20 0 CHADMN COCC[C@H]1CCCCN(c2ccnc(C)c2Cl)C1 ZINC000355676724 1127358161 /nfs/dbraw/zinc/35/81/61/1127358161.db2.gz COHHOZUWCVHMMU-CYBMUJFWSA-N 0 1 282.815 3.686 20 0 CHADMN Cc1cc(NC[C@H](C)C(F)(F)F)c2cc(F)ccc2n1 ZINC000355727340 1127360966 /nfs/dbraw/zinc/36/09/66/1127360966.db2.gz AKEKKZGXJYWTQW-QMMMGPOBSA-N 0 1 286.272 3.715 20 0 CHADMN CS[C@@H]1CCCC[N@@H+](Cc2cc(OC(C)C)ccn2)C1 ZINC000593022798 1127365471 /nfs/dbraw/zinc/36/54/71/1127365471.db2.gz KGIUBSLWYPEYMP-MRXNPFEDSA-N 0 1 294.464 3.586 20 0 CHADMN CC1(C)CC[C@@H]1NCc1nnc(-c2cccc(Cl)c2)o1 ZINC000574050068 1127370624 /nfs/dbraw/zinc/37/06/24/1127370624.db2.gz ACYSVHWVSDQFAD-LBPRGKRZSA-N 0 1 291.782 3.668 20 0 CHADMN COC[C@@H](NCc1ccccc1OC1CC1)c1ccccc1 ZINC000289021438 1127370226 /nfs/dbraw/zinc/37/02/26/1127370226.db2.gz ARAYVZFWJVAXMR-GOSISDBHSA-N 0 1 297.398 3.705 20 0 CHADMN C[C@H](N(C)Cc1nccn1-c1ccccc1)C(C)(C)C ZINC000574132346 1127371861 /nfs/dbraw/zinc/37/18/61/1127371861.db2.gz BIRFAAZOTFHJOB-AWEZNQCLSA-N 0 1 271.408 3.739 20 0 CHADMN Cc1ccsc1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000289074497 1127372362 /nfs/dbraw/zinc/37/23/62/1127372362.db2.gz ALRZWZUHOBGDGC-ZDUSSCGKSA-N 0 1 261.394 3.507 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccco2)cc(C)c1O ZINC000289174903 1127375595 /nfs/dbraw/zinc/37/55/95/1127375595.db2.gz SGSJPQMHTDQXIV-ZDUSSCGKSA-N 0 1 259.349 3.795 20 0 CHADMN C[C@H]1CCN(Cc2nc3ccccc3n2C)CC12CCC2 ZINC000357040805 1127386314 /nfs/dbraw/zinc/38/63/14/1127386314.db2.gz ORRQWBPJJAOAPC-AWEZNQCLSA-N 0 1 283.419 3.585 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000049842266 1127382837 /nfs/dbraw/zinc/38/28/37/1127382837.db2.gz SKUPWHDYUGXPGC-HUUCEWRRSA-N 0 1 269.429 3.780 20 0 CHADMN CC[C@@H](NCc1cnn(C(C)C)c1)c1ccccc1OC ZINC000226240848 1127384165 /nfs/dbraw/zinc/38/41/65/1127384165.db2.gz YEZVJVDDMBYZQE-MRXNPFEDSA-N 0 1 287.407 3.714 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3cc4[nH]ccc4s3)ccc12 ZINC000356620675 1127384277 /nfs/dbraw/zinc/38/42/77/1127384277.db2.gz MGKLOWCNOWZIGN-UHFFFAOYSA-N 0 1 296.355 3.666 20 0 CHADMN CCCc1nc(CN(C)[C@@H](C)C2CCC2)cs1 ZINC000357014468 1127385569 /nfs/dbraw/zinc/38/55/69/1127385569.db2.gz WYPVGFHLPBEVBW-NSHDSACASA-N 0 1 252.427 3.716 20 0 CHADMN CCn1cc(CN2CCC[C@@H]2/C=C\c2ccccc2)cn1 ZINC000357016173 1127385598 /nfs/dbraw/zinc/38/55/98/1127385598.db2.gz ZCXGLMYAEVILPH-RXQFDZFGSA-N 0 1 281.403 3.581 20 0 CHADMN C[C@H](NCC(C)(C)Oc1ccccc1)c1nccs1 ZINC000357803065 1127394330 /nfs/dbraw/zinc/39/43/30/1127394330.db2.gz ZVCDJDRQNURWOH-LBPRGKRZSA-N 0 1 276.405 3.651 20 0 CHADMN Cc1noc(C)c1CN(C)CCc1ccccc1Cl ZINC000058907436 1127398482 /nfs/dbraw/zinc/39/84/82/1127398482.db2.gz WSGJZTSLZYSKAT-UHFFFAOYSA-N 0 1 278.783 3.619 20 0 CHADMN COC[C@@H](N[C@@H](C)c1ccsc1)c1ccc(F)cc1 ZINC000358200568 1127408188 /nfs/dbraw/zinc/40/81/88/1127408188.db2.gz ITNSJLNIHNMWHA-XHDPSFHLSA-N 0 1 279.380 3.926 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](C)c2cc(C)c(F)c(C)c2)n[nH]1 ZINC000358251709 1127410925 /nfs/dbraw/zinc/41/09/25/1127410925.db2.gz RAPLDDQTSYPFRK-NWDGAFQWSA-N 0 1 290.386 3.535 20 0 CHADMN CC(C)Sc1ccc(CSc2cn[nH]n2)cc1 ZINC000358257896 1127411458 /nfs/dbraw/zinc/41/14/58/1127411458.db2.gz FKPRJQAVLCEJKF-UHFFFAOYSA-N 0 1 265.407 3.598 20 0 CHADMN CC[C@@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1ccc(F)cc1 ZINC000358271486 1127412078 /nfs/dbraw/zinc/41/20/78/1127412078.db2.gz YMSLASBSXNBQME-SMDDNHRTSA-N 0 1 290.386 3.869 20 0 CHADMN CC(C)c1nnc(CNC2CCC(C)(C)CC2)s1 ZINC000358284447 1127412799 /nfs/dbraw/zinc/41/27/99/1127412799.db2.gz HWZPHIWHWQYMPB-UHFFFAOYSA-N 0 1 267.442 3.720 20 0 CHADMN COc1cc(F)cc(CN[C@H]2CSc3ccccc32)c1 ZINC000358298676 1127414319 /nfs/dbraw/zinc/41/43/19/1127414319.db2.gz LSQILALCXICALD-HNNXBMFYSA-N 0 1 289.375 3.771 20 0 CHADMN Cc1cccc(-c2nnc([C@@H](C)N3CCC4(CC4)CC3)o2)c1 ZINC000761063447 1127416893 /nfs/dbraw/zinc/41/68/93/1127416893.db2.gz VCIVCHWQTSBWLS-CQSZACIVSA-N 0 1 297.402 3.982 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](c2cccnc2)C2CC2)o1 ZINC000358367571 1127417673 /nfs/dbraw/zinc/41/76/73/1127417673.db2.gz MNSSZMVRQGHOFL-WBMJQRKESA-N 0 1 256.349 3.785 20 0 CHADMN C[C@@H](N[C@@H](C)c1nccs1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000358394287 1127418918 /nfs/dbraw/zinc/41/89/18/1127418918.db2.gz GHUWTMWRSAAYTB-OXIQGZBJSA-N 0 1 288.416 3.747 20 0 CHADMN C[C@@H](N[C@@H](C)c1nccs1)[C@H]1Oc2ccccc2[C@H]1C ZINC000358394283 1127418992 /nfs/dbraw/zinc/41/89/92/1127418992.db2.gz GHUWTMWRSAAYTB-FJJYHAOUSA-N 0 1 288.416 3.747 20 0 CHADMN Cc1ccsc1[C@@H](CO)N[C@@H](C)c1ccccc1F ZINC000358396714 1127419365 /nfs/dbraw/zinc/41/93/65/1127419365.db2.gz IBVYCXIFEGLWFF-SMDDNHRTSA-N 0 1 279.380 3.580 20 0 CHADMN C[C@H]1CCCCCN1Cc1nc(-c2ccsc2)no1 ZINC000358389689 1127419377 /nfs/dbraw/zinc/41/93/77/1127419377.db2.gz AGFHGQXRRODNHL-NSHDSACASA-N 0 1 277.393 3.563 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cc(F)c(F)c(F)c1 ZINC000358497624 1127423958 /nfs/dbraw/zinc/42/39/58/1127423958.db2.gz BZPVBTMSWNRZAR-JTQLQIEISA-N 0 1 294.320 3.912 20 0 CHADMN c1ccc2c(c1)SCC[C@H]2N[C@H]1CCc2cccnc21 ZINC000226811730 1127426633 /nfs/dbraw/zinc/42/66/33/1127426633.db2.gz JHJZTUFGPSPODJ-CABCVRRESA-N 0 1 282.412 3.896 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N(C)Cc1cccc(C)c1C ZINC000358767474 1127433636 /nfs/dbraw/zinc/43/36/36/1127433636.db2.gz CWPDYDFWRQTILW-UHFFFAOYSA-N 0 1 299.418 3.731 20 0 CHADMN CCc1nc([C@H](C)S[C@@H](C)c2ccccc2OC)n[nH]1 ZINC000594890003 1127436636 /nfs/dbraw/zinc/43/66/36/1127436636.db2.gz NMENRVSTFNYKKS-QWRGUYRKSA-N 0 1 291.420 3.931 20 0 CHADMN Cc1ccc([C@H](N[C@H](C)[C@H]2CCCO2)c2ccccn2)cc1 ZINC000359012574 1127444832 /nfs/dbraw/zinc/44/48/32/1127444832.db2.gz FPBVLKYHEGLWRW-LZQZEXGQSA-N 0 1 296.414 3.637 20 0 CHADMN Cc1c(Cl)c(CN2CC[C@@H]3C[C@@H]32)nc2ccccc12 ZINC000761088712 1127445283 /nfs/dbraw/zinc/44/52/83/1127445283.db2.gz IBIPOYHPYZHPEC-ABAIWWIYSA-N 0 1 272.779 3.791 20 0 CHADMN C[C@@H](CSCCF)NCc1coc(-c2ccccc2)n1 ZINC000595029870 1127449282 /nfs/dbraw/zinc/44/92/82/1127449282.db2.gz ZVRCJOFWNBCGRY-LBPRGKRZSA-N 0 1 294.395 3.522 20 0 CHADMN c1ncc(CN[C@@H](Cc2ccccn2)c2ccccc2)s1 ZINC000359130169 1127450577 /nfs/dbraw/zinc/45/05/77/1127450577.db2.gz RUJCVGQWWPSNQS-KRWDZBQOSA-N 0 1 295.411 3.612 20 0 CHADMN C1CS[C@H](c2noc([C@@H]3CC[C@@H]4CCCC[C@@H]4N3)n2)C1 ZINC000227083009 1127456096 /nfs/dbraw/zinc/45/60/96/1127456096.db2.gz QSDIASFHKBHXJM-CYDGBPFRSA-N 0 1 293.436 3.621 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1ccccn1)[C@@H]2C ZINC000359304228 1127458031 /nfs/dbraw/zinc/45/80/31/1127458031.db2.gz VOKPICVLGNSMHC-UONOGXRCSA-N 0 1 282.387 3.598 20 0 CHADMN CSC[C@@H]1CCCN1Cc1nsc2ccccc21 ZINC000595349673 1127459085 /nfs/dbraw/zinc/45/90/85/1127459085.db2.gz CKLBVALYNIUHIS-NSHDSACASA-N 0 1 278.446 3.624 20 0 CHADMN CC(C)C[C@@H](C)CNCc1noc(-c2ccccc2F)n1 ZINC000575026838 1127460781 /nfs/dbraw/zinc/46/07/81/1127460781.db2.gz BPQXNOFYADDKKZ-GFCCVEGCSA-N 0 1 291.370 3.648 20 0 CHADMN c1sc(C2CC2)nc1CNc1cc2c(cn1)CCCC2 ZINC000359468768 1127464130 /nfs/dbraw/zinc/46/41/30/1127464130.db2.gz PTMFIPFHMVLPNY-UHFFFAOYSA-N 0 1 285.416 3.906 20 0 CHADMN CCC1(C)CCN(Cc2noc3c2CCCC3)CC1 ZINC000595564936 1127465694 /nfs/dbraw/zinc/46/56/94/1127465694.db2.gz UXHJAFJKNMCKOY-UHFFFAOYSA-N 0 1 262.397 3.566 20 0 CHADMN COC(=O)c1sccc1CN1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359553355 1127467285 /nfs/dbraw/zinc/46/72/85/1127467285.db2.gz HJRVWITWCABXJJ-LRDDRELGSA-N 0 1 293.432 3.547 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)c1 ZINC000359592532 1127469311 /nfs/dbraw/zinc/46/93/11/1127469311.db2.gz YJPZPNDBPIZGLC-SGTLLEGYSA-N 0 1 297.402 3.524 20 0 CHADMN OC[C@H](NCc1ccc(C(F)F)cc1)c1cccc(F)c1 ZINC000359604914 1127469625 /nfs/dbraw/zinc/46/96/25/1127469625.db2.gz UBLKACNJBMTGIR-HNNXBMFYSA-N 0 1 295.304 3.587 20 0 CHADMN CCSCCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595676597 1127471867 /nfs/dbraw/zinc/47/18/67/1127471867.db2.gz QFMVUDJZSGLAQN-AWEZNQCLSA-N 0 1 265.422 3.950 20 0 CHADMN C[C@H](N)c1nc(-c2nc([C@@H]3CCC[C@@H](C)C3)no2)cs1 ZINC000227422806 1127475764 /nfs/dbraw/zinc/47/57/64/1127475764.db2.gz YGLKEVHTFFOHLY-KXUCPTDWSA-N 0 1 292.408 3.507 20 0 CHADMN O=C(CCNCc1ccsc1Cl)Nc1ccccc1 ZINC000359739698 1127476237 /nfs/dbraw/zinc/47/62/37/1127476237.db2.gz MTCADXGXWDOOKU-UHFFFAOYSA-N 0 1 294.807 3.520 20 0 CHADMN CCc1ncc(CN[C@H]2CCCc3c(O)cccc32)s1 ZINC000359811322 1127479021 /nfs/dbraw/zinc/47/90/21/1127479021.db2.gz DKPZBVXJKUQDDF-AWEZNQCLSA-N 0 1 288.416 3.578 20 0 CHADMN C[C@@H]1COc2ccccc2CN1Cc1ccccc1N(C)C ZINC000359876047 1127481859 /nfs/dbraw/zinc/48/18/59/1127481859.db2.gz OVSUDRLWOJTFFG-OAHLLOKOSA-N 0 1 296.414 3.536 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H](C)c2oc3ccccc3c2C)c1C ZINC000359910132 1127483121 /nfs/dbraw/zinc/48/31/21/1127483121.db2.gz NRCCPXWAUVBPJC-LBPRGKRZSA-N 0 1 297.358 3.572 20 0 CHADMN CCOc1ccc2c(c1)CCN(Cc1ccc(C)nc1C)C2 ZINC000360131873 1127490718 /nfs/dbraw/zinc/49/07/18/1127490718.db2.gz NSSPQSDOVLXFBR-UHFFFAOYSA-N 0 1 296.414 3.655 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCCC[C@H](C)C1 ZINC000360604613 1127502822 /nfs/dbraw/zinc/50/28/22/1127502822.db2.gz LGYJNXULAMYCJJ-RYUDHWBXSA-N 0 1 291.420 3.981 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)N1CCCC[C@H](C)C1 ZINC000360604613 1127502824 /nfs/dbraw/zinc/50/28/24/1127502824.db2.gz LGYJNXULAMYCJJ-RYUDHWBXSA-N 0 1 291.420 3.981 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C[C@H]1CC[C@H](C)C1 ZINC000360426520 1127498795 /nfs/dbraw/zinc/49/87/95/1127498795.db2.gz FTEYBKHSMQJUBJ-JQWIXIFHSA-N 0 1 271.364 3.636 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2nc(C3CC3)no2)CC12CCCCC2 ZINC000360610150 1127502613 /nfs/dbraw/zinc/50/26/13/1127502613.db2.gz IDTRJAFBXLPYGX-CYBMUJFWSA-N 0 1 289.423 3.739 20 0 CHADMN C[C@@H]1CCN(Cc2nc(C3CC3)no2)CC12CCCCC2 ZINC000360610150 1127502617 /nfs/dbraw/zinc/50/26/17/1127502617.db2.gz IDTRJAFBXLPYGX-CYBMUJFWSA-N 0 1 289.423 3.739 20 0 CHADMN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc2cncn2c1 ZINC000360686843 1127506366 /nfs/dbraw/zinc/50/63/66/1127506366.db2.gz BKMIJZWKEKVLKI-DZGCQCFKSA-N 0 1 299.418 3.621 20 0 CHADMN CCc1noc(C)c1CN[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000293574174 1127506976 /nfs/dbraw/zinc/50/69/76/1127506976.db2.gz BONRLBAKANDQTD-KZULUSFZSA-N 0 1 284.403 3.877 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@@H](C(F)(F)F)[C@@H]2C)s1 ZINC000360737504 1127508330 /nfs/dbraw/zinc/50/83/30/1127508330.db2.gz MMODQNGFCJLURP-GXSJLCMTSA-N 0 1 292.370 3.923 20 0 CHADMN COCCC1(C[NH2+]Cc2cccc([O-])c2Cl)CCCC1 ZINC000293617316 1127509031 /nfs/dbraw/zinc/50/90/31/1127509031.db2.gz QCQLXWPNZRHCHB-UHFFFAOYSA-N 0 1 297.826 3.732 20 0 CHADMN Cc1nocc1CNC1(c2cccc(C)c2)CCCC1 ZINC000293677988 1127512067 /nfs/dbraw/zinc/51/20/67/1127512067.db2.gz VFHCMEUMKVPBKG-UHFFFAOYSA-N 0 1 270.376 3.851 20 0 CHADMN CO[C@H](C[NH2+]Cc1cccc([O-])c1Cl)c1ccccc1 ZINC000293679808 1127512189 /nfs/dbraw/zinc/51/21/89/1127512189.db2.gz VJTPUIWMSQETBS-OAHLLOKOSA-N 0 1 291.778 3.523 20 0 CHADMN CO[C@H](CNCc1cccc(O)c1Cl)c1ccccc1 ZINC000293679808 1127512190 /nfs/dbraw/zinc/51/21/90/1127512190.db2.gz VJTPUIWMSQETBS-OAHLLOKOSA-N 0 1 291.778 3.523 20 0 CHADMN CCOc1cccc(CNCc2ccc(C(F)F)cc2)n1 ZINC000360831334 1127513534 /nfs/dbraw/zinc/51/35/34/1127513534.db2.gz HPMJKNQBPKEFFA-UHFFFAOYSA-N 0 1 292.329 3.708 20 0 CHADMN Cc1cc(NCCCC(F)(F)F)c2cc(F)ccc2n1 ZINC000360887394 1127518015 /nfs/dbraw/zinc/51/80/15/1127518015.db2.gz VUTCRMXTXXEHJR-UHFFFAOYSA-N 0 1 286.272 3.859 20 0 CHADMN CC[C@H](NCc1ccccc1Cl)c1c(C)nn(C)c1C ZINC000360907157 1127519630 /nfs/dbraw/zinc/51/96/30/1127519630.db2.gz OSZXOESBXKBLCB-HNNXBMFYSA-N 0 1 291.826 3.931 20 0 CHADMN CN(CCCc1ccsc1)Cc1nc2ccccc2n1C ZINC000360970545 1127524753 /nfs/dbraw/zinc/52/47/53/1127524753.db2.gz RUJKHTJYRNHKBW-UHFFFAOYSA-N 0 1 299.443 3.699 20 0 CHADMN Cc1ccoc1CN[C@H](c1cccnc1)C1CCC1 ZINC000293821563 1127523635 /nfs/dbraw/zinc/52/36/35/1127523635.db2.gz WCWHJDJJBCMFTC-INIZCTEOSA-N 0 1 256.349 3.614 20 0 CHADMN CCC[C@@H](NCc1snnc1C)c1ccsc1 ZINC000293842774 1127524322 /nfs/dbraw/zinc/52/43/22/1127524322.db2.gz WZGLQAKRQYYOQQ-LLVKDONJSA-N 0 1 267.423 3.539 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2sc(Cl)cc21)c1ccnn1C ZINC000293885953 1127530174 /nfs/dbraw/zinc/53/01/74/1127530174.db2.gz YXUZAZOEKZAUGL-MWLCHTKSSA-N 0 1 295.839 3.863 20 0 CHADMN Cc1ccc(CN(Cc2cccc(F)c2)C(C)C)cn1 ZINC000360973229 1127525532 /nfs/dbraw/zinc/52/55/32/1127525532.db2.gz AUAPGOXECTYVMR-UHFFFAOYSA-N 0 1 272.367 3.940 20 0 CHADMN C[C@H](C[S@@](C)=O)N(C)Cc1cccc(C2CCCC2)c1 ZINC000597083799 1127527549 /nfs/dbraw/zinc/52/75/49/1127527549.db2.gz ULJNAVQGTISVGM-JLTOFOAXSA-N 0 1 293.476 3.543 20 0 CHADMN CSc1ccccc1CN[C@H](C)c1ccccn1 ZINC000361149782 1127542700 /nfs/dbraw/zinc/54/27/00/1127542700.db2.gz TYDXBVURDFHJDF-GFCCVEGCSA-N 0 1 258.390 3.654 20 0 CHADMN COc1ccc(F)cc1CNCc1ccc2[nH]c(C)cc2c1 ZINC000361124497 1127540274 /nfs/dbraw/zinc/54/02/74/1127540274.db2.gz SOGGANOUEWBFQT-UHFFFAOYSA-N 0 1 298.361 3.914 20 0 CHADMN Cc1ccc(CN2CCC[C@H](C(F)(F)F)[C@@H]2C)o1 ZINC000361139905 1127541712 /nfs/dbraw/zinc/54/17/12/1127541712.db2.gz INTOCMDIJAFNNO-JQWIXIFHSA-N 0 1 261.287 3.751 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1cccc(-n3cccn3)c1)C2 ZINC000361107946 1127538325 /nfs/dbraw/zinc/53/83/25/1127538325.db2.gz JFPZROFDUSIWSC-UHFFFAOYSA-N 0 1 289.382 3.697 20 0 CHADMN CC(C)CN(C)Cc1ccc(F)c(F)c1Br ZINC001238754430 1131239851 /nfs/dbraw/zinc/23/98/51/1131239851.db2.gz IIHSHJVORCWKGU-UHFFFAOYSA-N 0 1 292.167 3.815 20 0 CHADMN Fc1ccccc1C1CN(Cc2ccc3ncccc3c2)C1 ZINC000361236731 1127549409 /nfs/dbraw/zinc/54/94/09/1127549409.db2.gz GHUFEGDFOFOANF-UHFFFAOYSA-N 0 1 292.357 3.973 20 0 CHADMN Cc1nocc1CN[C@@H](c1ccccc1)C(C)(C)C ZINC000294144411 1127552504 /nfs/dbraw/zinc/55/25/04/1127552504.db2.gz ONKRMOAPLRWNOC-HNNXBMFYSA-N 0 1 258.365 3.860 20 0 CHADMN C[C@H]1CCCN(Cc2cncc(C(F)(F)F)c2)[C@H]1C ZINC000361308601 1127555544 /nfs/dbraw/zinc/55/55/44/1127555544.db2.gz BFNDVOWYDSPQDK-QWRGUYRKSA-N 0 1 272.314 3.721 20 0 CHADMN CCCCc1nc(CN2CC[C@H](C)[C@@H]2C)cs1 ZINC000361324950 1127556817 /nfs/dbraw/zinc/55/68/17/1127556817.db2.gz JXGMWLFBVOJPBS-RYUDHWBXSA-N 0 1 252.427 3.716 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)N1CC[C@@H](C)[C@@H]1C ZINC000361333569 1127557539 /nfs/dbraw/zinc/55/75/39/1127557539.db2.gz CKXKRWBQOWMUIG-OUAUKWLOSA-N 0 1 277.393 3.589 20 0 CHADMN Cc1noc(C)c1CN[C@@H](C)c1ccc2ncsc2c1 ZINC000361331198 1127557680 /nfs/dbraw/zinc/55/76/80/1127557680.db2.gz LXVGANXEBVCQER-VIFPVBQESA-N 0 1 287.388 3.752 20 0 CHADMN CCOc1nnc(CN(CC(C)C)C(CC)CC)s1 ZINC000361338683 1127557846 /nfs/dbraw/zinc/55/78/46/1127557846.db2.gz XXBXUAYSHRNJSI-UHFFFAOYSA-N 0 1 285.457 3.583 20 0 CHADMN Cc1ccccc1[C@H](CC(F)(F)F)NCc1cnc[nH]1 ZINC000361337442 1127558025 /nfs/dbraw/zinc/55/80/25/1127558025.db2.gz RSCCSZYLKVAFME-ZDUSSCGKSA-N 0 1 283.297 3.501 20 0 CHADMN C[C@@H]1CN(Cc2cncc(C(F)(F)F)c2)CC(C)(C)C1 ZINC000361348335 1127558484 /nfs/dbraw/zinc/55/84/84/1127558484.db2.gz JNBPNNWCCJCYCM-NSHDSACASA-N 0 1 286.341 3.968 20 0 CHADMN Fc1cccc2c1OCCN([C@@H]1C[C@H]1c1ccccc1)C2 ZINC000361379367 1127560218 /nfs/dbraw/zinc/56/02/18/1127560218.db2.gz UWNGDICLTDGAJW-DOTOQJQBSA-N 0 1 283.346 3.576 20 0 CHADMN CN(Cc1nc(C2CCCC2)no1)[C@@H]1CCC(C)(C)C1 ZINC000361470152 1127565274 /nfs/dbraw/zinc/56/52/74/1127565274.db2.gz NTYNLFRKTQAWIY-CYBMUJFWSA-N 0 1 277.412 3.738 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccc(F)cc3)C2)c(C)s1 ZINC000361467056 1127565584 /nfs/dbraw/zinc/56/55/84/1127565584.db2.gz AYSHDCNQGDOUTC-CQSZACIVSA-N 0 1 290.407 3.889 20 0 CHADMN C[C@H]1CN(Cc2cc(Cl)cnc2F)CCC[C@@H]1C ZINC001231990630 1127566863 /nfs/dbraw/zinc/56/68/63/1127566863.db2.gz FRFCWOGZNOSDCJ-QWRGUYRKSA-N 0 1 270.779 3.742 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CCC[C@H](C(C)(C)C)C1 ZINC000361549336 1127570596 /nfs/dbraw/zinc/57/05/96/1127570596.db2.gz NPCJZDPFAXPQAU-YPMHNXCESA-N 0 1 277.412 3.766 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2ccc3c(c2)CCCC3)n1 ZINC000361601808 1127576688 /nfs/dbraw/zinc/57/66/88/1127576688.db2.gz NZMBWHDHEDASON-OAHLLOKOSA-N 0 1 285.391 3.661 20 0 CHADMN c1csc(-c2noc(C[N@H+](CC3CC3)C3CCC3)n2)c1 ZINC000361570399 1127572419 /nfs/dbraw/zinc/57/24/19/1127572419.db2.gz BTOFNGBXDZMTQO-UHFFFAOYSA-N 0 1 289.404 3.563 20 0 CHADMN CO[C@@H](C)c1nc(CN(CC2CC2)C2CCC2)cs1 ZINC000361575383 1127573939 /nfs/dbraw/zinc/57/39/39/1127573939.db2.gz BJEUDOQUSQYTNO-NSHDSACASA-N 0 1 280.437 3.615 20 0 CHADMN C[C@@H]1CC[C@]2(CCN(Cc3nccn3-c3ccccc3)C2)C1 ZINC000361587369 1127574763 /nfs/dbraw/zinc/57/47/63/1127574763.db2.gz OXHUSMIFWZLCSC-APWZRJJASA-N 0 1 295.430 3.884 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)Cc2csc(N(C)C3CC3)n2)C1 ZINC000361640769 1127578028 /nfs/dbraw/zinc/57/80/28/1127578028.db2.gz VPHMMMZRFCBCPC-SWLSCSKDSA-N 0 1 293.480 3.752 20 0 CHADMN CN(CCOc1ccc(Cl)c(F)c1)Cc1ccco1 ZINC000361690472 1127581723 /nfs/dbraw/zinc/58/17/23/1127581723.db2.gz XUXYYYXZTPRYKN-UHFFFAOYSA-N 0 1 283.730 3.583 20 0 CHADMN Cc1ccc([C@@H]2CCC[C@H]2N(C)Cc2ncccn2)cc1 ZINC000361829855 1127592254 /nfs/dbraw/zinc/59/22/54/1127592254.db2.gz IWISJFPCPRYYOM-DLBZAZTESA-N 0 1 281.403 3.553 20 0 CHADMN COc1ccc(Cl)c(CN(C)CCCOC(C)C)c1 ZINC000361838514 1127593145 /nfs/dbraw/zinc/59/31/45/1127593145.db2.gz BSOWPJAOSRSTMH-UHFFFAOYSA-N 0 1 285.815 3.596 20 0 CHADMN Cc1cc([C@@H](C)NCc2cn(C(C)C)nc2C)c(C)o1 ZINC000361890014 1127597343 /nfs/dbraw/zinc/59/73/43/1127597343.db2.gz SIYVNXKERPKKHB-CYBMUJFWSA-N 0 1 275.396 3.833 20 0 CHADMN CC(C)C(CNCc1ncc(C(F)(F)F)cn1)C(C)C ZINC000294728910 1127595035 /nfs/dbraw/zinc/59/50/35/1127595035.db2.gz DEUSXMCCFGASPT-UHFFFAOYSA-N 0 1 289.345 3.513 20 0 CHADMN CO[C@@H]1CCN(Cc2ccccc2OC(F)F)CC1(C)C ZINC000294730547 1127595444 /nfs/dbraw/zinc/59/54/44/1127595444.db2.gz DGHRCJOUUXIHDJ-CQSZACIVSA-N 0 1 299.361 3.535 20 0 CHADMN CCO[C@H]1CCCN([C@H](C)c2cc(F)ccc2F)C1 ZINC000602578876 1127596037 /nfs/dbraw/zinc/59/60/37/1127596037.db2.gz MYFDEYNUUXDWDF-YPMHNXCESA-N 0 1 269.335 3.527 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccccc1)c1cc(F)ccc1F ZINC000361884405 1127596537 /nfs/dbraw/zinc/59/65/37/1127596537.db2.gz CXYUVTJVJULHEE-SJCJKPOMSA-N 0 1 291.341 3.739 20 0 CHADMN Cc1cccc(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)n1 ZINC000361940742 1127600747 /nfs/dbraw/zinc/60/07/47/1127600747.db2.gz VIOHLLSMRIRDKQ-ZDUSSCGKSA-N 0 1 286.341 3.800 20 0 CHADMN c1[nH]c(CN[C@@H]2CCc3ccccc32)nc1-c1ccccc1 ZINC000361956720 1127602235 /nfs/dbraw/zinc/60/22/35/1127602235.db2.gz GJRLOMGPPCMEAC-QGZVFWFLSA-N 0 1 289.382 3.854 20 0 CHADMN Cc1sccc1CN1CCCC[C@H]1c1ccnn1C ZINC000294836952 1127602419 /nfs/dbraw/zinc/60/24/19/1127602419.db2.gz YXXPLSDZSAWDAM-HNNXBMFYSA-N 0 1 275.421 3.517 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)[nH]1 ZINC000294861411 1127604758 /nfs/dbraw/zinc/60/47/58/1127604758.db2.gz SQAYQYYKJDKQKV-UKRRQHHQSA-N 0 1 297.402 3.522 20 0 CHADMN CC(=O)c1cccc(C[N@H+](C)C[C@H](C)c2nccs2)c1 ZINC000294925661 1127608542 /nfs/dbraw/zinc/60/85/42/1127608542.db2.gz GYHFETIOYIBVRE-LBPRGKRZSA-N 0 1 288.416 3.581 20 0 CHADMN Cc1sccc1CN1CCC[C@H](C(F)(F)F)C1 ZINC000294933146 1127609555 /nfs/dbraw/zinc/60/95/55/1127609555.db2.gz OWRMEAKVTWRAKB-NSHDSACASA-N 0 1 263.328 3.831 20 0 CHADMN COc1cc(CCN[C@H](C)c2cscn2)ccc1Cl ZINC000294996488 1127612485 /nfs/dbraw/zinc/61/24/85/1127612485.db2.gz LRZPOZDDGROMPG-SNVBAGLBSA-N 0 1 296.823 3.698 20 0 CHADMN FC1(F)CC(CN2CCc3[nH]c4ccccc4c3C2)C1 ZINC000294947823 1127610015 /nfs/dbraw/zinc/61/00/15/1127610015.db2.gz MEPKVEINLKGMEL-UHFFFAOYSA-N 0 1 276.330 3.571 20 0 CHADMN CCn1cc([C@@H](C)NCc2ccc(OCC3CC3)cc2)cn1 ZINC000294965908 1127610936 /nfs/dbraw/zinc/61/09/36/1127610936.db2.gz WZHALDDMDBBNID-CQSZACIVSA-N 0 1 299.418 3.543 20 0 CHADMN Cc1ccccc1[C@H]1CN(CC2CC(F)(F)C2)[C@H](C)CO1 ZINC000294964362 1127610958 /nfs/dbraw/zinc/61/09/58/1127610958.db2.gz LFLPWCUMOQPDDD-CZUORRHYSA-N 0 1 295.373 3.802 20 0 CHADMN Cc1ncc(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)s1 ZINC000295043822 1127615937 /nfs/dbraw/zinc/61/59/37/1127615937.db2.gz OWXWRTSIQAKOLO-PSASIEDQSA-N 0 1 278.343 3.614 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC(CF)CC1 ZINC000295117833 1127621247 /nfs/dbraw/zinc/62/12/47/1127621247.db2.gz JHIFKNVBVVCKNR-JTQLQIEISA-N 0 1 257.299 3.707 20 0 CHADMN CSC1CCN([C@@H](C)c2c(F)cccc2F)CC1 ZINC000602920298 1127621805 /nfs/dbraw/zinc/62/18/05/1127621805.db2.gz AIAUBXPPQUSUJL-JTQLQIEISA-N 0 1 271.376 3.853 20 0 CHADMN COc1nccc(CN[C@@H](CC(C)C)c2ccccc2C)n1 ZINC000295152974 1127623435 /nfs/dbraw/zinc/62/34/35/1127623435.db2.gz JSOHKBLRADRRSZ-KRWDZBQOSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1cc(CN[C@@H]2CCOc3ccc(F)cc32)cs1 ZINC000295167204 1127624323 /nfs/dbraw/zinc/62/43/23/1127624323.db2.gz KZANPDMHHOZGSP-CQSZACIVSA-N 0 1 277.364 3.809 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@@H]2COc3ccc(C)cc32)s1 ZINC000362292857 1127625212 /nfs/dbraw/zinc/62/52/12/1127625212.db2.gz FAVFOMGAOBZKCA-BXUZGUMPSA-N 0 1 288.416 3.853 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H]1CCCc2cc(OC)ccc21 ZINC000295239434 1127629368 /nfs/dbraw/zinc/62/93/68/1127629368.db2.gz OXJCKQQFANQKGA-CXAGYDPISA-N 0 1 299.418 3.640 20 0 CHADMN COc1ccc(-c2nc(CN3CC4CCC3CC4)co2)cc1 ZINC000362342671 1127629387 /nfs/dbraw/zinc/62/93/87/1127629387.db2.gz RVQJMCYQPLATME-UHFFFAOYSA-N 0 1 298.386 3.725 20 0 CHADMN CCn1ccnc1[C@@H](C)NCc1cc2ccccc2s1 ZINC000295249216 1127630293 /nfs/dbraw/zinc/63/02/93/1127630293.db2.gz QDCHRFVYHJUOQA-GFCCVEGCSA-N 0 1 285.416 3.969 20 0 CHADMN CCSCCN[C@@H](C(F)F)C1CCCCC1 ZINC000598649900 1127630462 /nfs/dbraw/zinc/63/04/62/1127630462.db2.gz NINGUTLJWKPCKO-LLVKDONJSA-N 0 1 251.386 3.543 20 0 CHADMN CCOC(=O)CCCCN[C@@H](C(F)F)C1CCCCC1 ZINC000598649251 1127630530 /nfs/dbraw/zinc/63/05/30/1127630530.db2.gz LALYDMATHPEVNK-CQSZACIVSA-N 0 1 291.382 3.523 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)c3ccc(C)cc3)[nH]n2)o1 ZINC000170633557 1127631157 /nfs/dbraw/zinc/63/11/57/1127631157.db2.gz UBKHXYZTLLJTPL-UHFFFAOYSA-N 0 1 295.342 3.563 20 0 CHADMN CCC(C)(C)N(C)Cc1ncc(CSC)s1 ZINC000295289623 1127632335 /nfs/dbraw/zinc/63/23/35/1127632335.db2.gz JCLZBFAKQBSSBW-UHFFFAOYSA-N 0 1 258.456 3.627 20 0 CHADMN CC(C)(SCCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000362406103 1127633700 /nfs/dbraw/zinc/63/37/00/1127633700.db2.gz ZXFHIAHASSZKCL-IYBDPMFKSA-N 0 1 291.460 3.518 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2nc(-c3ccco3)no2)C1 ZINC000362433039 1127635427 /nfs/dbraw/zinc/63/54/27/1127635427.db2.gz CCUUEQTWBDPRKF-MRXNPFEDSA-N 0 1 289.379 3.732 20 0 CHADMN C[C@@H](N[C@H](C)C1(C)CC1)c1ncc(Br)s1 ZINC000380140215 1127646682 /nfs/dbraw/zinc/64/66/82/1127646682.db2.gz VLCBVVXOGQNXAI-HTQZYQBOSA-N 0 1 289.242 3.745 20 0 CHADMN CCOc1ccc(CNCc2cccc(OC)c2F)cc1 ZINC000669680422 1127647014 /nfs/dbraw/zinc/64/70/14/1127647014.db2.gz HVZVZMIEANFNAW-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@H](O)CC(C)(C)C1 ZINC000295612498 1127648182 /nfs/dbraw/zinc/64/81/82/1127648182.db2.gz YJPFYJQODBSTMM-NEPJUHHUSA-N 0 1 283.362 3.509 20 0 CHADMN CCCCN(Cc1cnc(Br)s1)C1CC1 ZINC000295627829 1127648404 /nfs/dbraw/zinc/64/84/04/1127648404.db2.gz WYYBQYKBKGXQTI-UHFFFAOYSA-N 0 1 289.242 3.670 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CC[C@H](O)CC(C)(C)C1 ZINC000295612501 1127648424 /nfs/dbraw/zinc/64/84/24/1127648424.db2.gz YJPFYJQODBSTMM-RYUDHWBXSA-N 0 1 283.362 3.509 20 0 CHADMN C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1Cc1ccc(F)cn1 ZINC000295658487 1127649737 /nfs/dbraw/zinc/64/97/37/1127649737.db2.gz IDHXSUKQHRWESY-AXFHLTTASA-N 0 1 290.304 3.772 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@@H]1NCc1ccc(C(C)(C)O)cc1 ZINC000295696434 1127650738 /nfs/dbraw/zinc/65/07/38/1127650738.db2.gz MCEFPAXEIVYPSF-SCLBCKFNSA-N 0 1 297.398 3.526 20 0 CHADMN CCC(F)(F)CN[C@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000598996415 1127650860 /nfs/dbraw/zinc/65/08/60/1127650860.db2.gz IYOXCDWPEURHCN-STQMWFEESA-N 0 1 291.382 3.523 20 0 CHADMN Cc1ccc([C@H](N[C@@H]2C[C@@H](C)O[C@H]2C)c2ccccn2)cc1 ZINC000295738321 1127651990 /nfs/dbraw/zinc/65/19/90/1127651990.db2.gz PMZHTWWLWGELJP-OHQAAIJDSA-N 0 1 296.414 3.635 20 0 CHADMN COc1cccc(CNCc2cccc3cc[nH]c32)c1F ZINC000669684606 1127652308 /nfs/dbraw/zinc/65/23/08/1127652308.db2.gz ZCXNDLTVAFGIMW-UHFFFAOYSA-N 0 1 284.334 3.605 20 0 CHADMN CCS[C@H]1CCCC[C@@H]1NCc1csc(Cl)n1 ZINC000295826331 1127654149 /nfs/dbraw/zinc/65/41/49/1127654149.db2.gz VQPCYLORBWOEQX-QWRGUYRKSA-N 0 1 290.885 3.950 20 0 CHADMN CCn1cc([C@@H](C)N[C@H](C)c2csc(C)c2)cn1 ZINC000295817085 1127654189 /nfs/dbraw/zinc/65/41/89/1127654189.db2.gz BMYOQQQEOOLPOV-VXGBXAGGSA-N 0 1 263.410 3.685 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1NCc1csc(Cl)n1 ZINC000295826311 1127654380 /nfs/dbraw/zinc/65/43/80/1127654380.db2.gz VQPCYLORBWOEQX-GHMZBOCLSA-N 0 1 290.885 3.950 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CC[C@H](c2ccco2)C1 ZINC000603493420 1127654807 /nfs/dbraw/zinc/65/48/07/1127654807.db2.gz MUBRDXCZTBJWIN-LBPRGKRZSA-N 0 1 282.318 3.961 20 0 CHADMN CCc1ccc(CN[C@H]2CCOc3c(OC)cccc32)cc1 ZINC000603518929 1127656620 /nfs/dbraw/zinc/65/66/20/1127656620.db2.gz QQDMZGJFEQUDIS-KRWDZBQOSA-N 0 1 297.398 3.871 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000087591753 1127663803 /nfs/dbraw/zinc/66/38/03/1127663803.db2.gz DGSOHFSAYQMWTI-NSHDSACASA-N 0 1 283.799 3.834 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000296057530 1127662022 /nfs/dbraw/zinc/66/20/22/1127662022.db2.gz RNDTXKGMSPJOMF-GUYCJALGSA-N 0 1 299.418 3.714 20 0 CHADMN Cc1cnccc1CNC(C)(C)c1ccccc1F ZINC000296145611 1127663252 /nfs/dbraw/zinc/66/32/52/1127663252.db2.gz VOVCMPHCPFWOJL-UHFFFAOYSA-N 0 1 258.340 3.554 20 0 CHADMN Fc1cc(F)c2c(c1)[C@@H](NCc1ccncc1)CCC2 ZINC000296210647 1127665305 /nfs/dbraw/zinc/66/53/05/1127665305.db2.gz ZTAWIFKCLCHRFL-INIZCTEOSA-N 0 1 274.314 3.527 20 0 CHADMN Fc1cc(F)c2c(c1)[C@H](NCc1ccncc1)CCC2 ZINC000296210658 1127665354 /nfs/dbraw/zinc/66/53/54/1127665354.db2.gz ZTAWIFKCLCHRFL-MRXNPFEDSA-N 0 1 274.314 3.527 20 0 CHADMN COC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2ccc(C)cc2)c1 ZINC000603682882 1127666286 /nfs/dbraw/zinc/66/62/86/1127666286.db2.gz MXJRZBOCRBBUPV-OAHLLOKOSA-N 0 1 297.398 3.975 20 0 CHADMN CCCC[C@H](NCc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000296306674 1127668189 /nfs/dbraw/zinc/66/81/89/1127668189.db2.gz GCGJIECMAZNFER-HNNXBMFYSA-N 0 1 284.407 3.703 20 0 CHADMN C[C@@H](NC(=O)C(F)(F)F)c1cc2ccccc2s1 ZINC000170951885 1127668829 /nfs/dbraw/zinc/66/88/29/1127668829.db2.gz AUWZDNRMECUQPE-SSDOTTSWSA-N 0 1 273.279 3.641 20 0 CHADMN C[C@H](NCc1cnc(Br)s1)c1ccccc1 ZINC000296380131 1127670348 /nfs/dbraw/zinc/67/03/48/1127670348.db2.gz UBZQUWFQANSUJK-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN CCCCCCNC(=O)CN(C)[C@H](C)c1ccc(C)cc1 ZINC000061255446 1127670984 /nfs/dbraw/zinc/67/09/84/1127670984.db2.gz NRZRORKBJJVJFQ-MRXNPFEDSA-N 0 1 290.451 3.684 20 0 CHADMN CC(C)c1nc(CN[C@@H]2C[C@@H](C(C)C)c3ccccc32)n[nH]1 ZINC000296393643 1127671059 /nfs/dbraw/zinc/67/10/59/1127671059.db2.gz KFCUQPOPMCYVGF-JKSUJKDBSA-N 0 1 298.434 3.902 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)oc1C ZINC000669699856 1127676160 /nfs/dbraw/zinc/67/61/60/1127676160.db2.gz LGHIFOPWNCLHMO-QWRGUYRKSA-N 0 1 299.374 3.890 20 0 CHADMN Cc1cnccc1CN[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000296589078 1127677263 /nfs/dbraw/zinc/67/72/63/1127677263.db2.gz XIYZJEMWGOPHSA-KRWDZBQOSA-N 0 1 294.402 3.753 20 0 CHADMN CCC1(N[C@@H](C)c2ncc(Br)cc2F)CC1 ZINC000296591848 1127677952 /nfs/dbraw/zinc/67/79/52/1127677952.db2.gz UZSACSMBRHQZRY-QMMMGPOBSA-N 0 1 287.176 3.576 20 0 CHADMN Cc1cc([C@H](C)N[C@H](CC2CC2)c2ccccc2)nn1C ZINC000669702511 1127678781 /nfs/dbraw/zinc/67/87/81/1127678781.db2.gz KCDYASATYLXXDM-KBXCAEBGSA-N 0 1 283.419 3.921 20 0 CHADMN CC[C@H](CN[C@@H]1C[C@H](C)n2ccnc21)Oc1cccc(C)c1 ZINC000296690462 1127681783 /nfs/dbraw/zinc/68/17/83/1127681783.db2.gz HDDKNWTUZIALBY-ZMSDIMECSA-N 0 1 299.418 3.645 20 0 CHADMN CC1(C)CC[C@@H](N[C@@H]2CCn3ccnc32)c2ccccc21 ZINC000296644190 1127679994 /nfs/dbraw/zinc/67/99/94/1127679994.db2.gz CYKOABGQEOIXTK-HZPDHXFCSA-N 0 1 281.403 3.730 20 0 CHADMN Cc1cnc(C[N@H+]2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)o1 ZINC000296875038 1127684732 /nfs/dbraw/zinc/68/47/32/1127684732.db2.gz UUBAFWCMKHQSBE-XPKDYRNWSA-N 0 1 270.376 3.750 20 0 CHADMN c1cc2cc(NCC3CCC4(CC3)OCCO4)ccc2cn1 ZINC000297094725 1127688815 /nfs/dbraw/zinc/68/88/15/1127688815.db2.gz XILUXVXHQKVDAU-UHFFFAOYSA-N 0 1 298.386 3.580 20 0 CHADMN COc1cccc(CN2CCS[C@@H]3CCCC[C@@H]32)c1F ZINC000669708928 1127691212 /nfs/dbraw/zinc/69/12/12/1127691212.db2.gz XHUJMWBHDTXKOG-DZGCQCFKSA-N 0 1 295.423 3.694 20 0 CHADMN CC(F)(F)CCCN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000297267951 1127692557 /nfs/dbraw/zinc/69/25/57/1127692557.db2.gz KMYVDDIZUQCPQF-CYBMUJFWSA-N 0 1 297.324 3.663 20 0 CHADMN CCc1cccc(NCc2[nH]nc3ccccc32)c1 ZINC000604064253 1127693133 /nfs/dbraw/zinc/69/31/33/1127693133.db2.gz JAEKVUFSRQOEKA-UHFFFAOYSA-N 0 1 251.333 3.737 20 0 CHADMN Cc1nc2cc(NCc3[nH]nc4ccccc43)ccc2o1 ZINC000604064268 1127693289 /nfs/dbraw/zinc/69/32/89/1127693289.db2.gz KRLSEGMGOBZTPV-UHFFFAOYSA-N 0 1 278.315 3.625 20 0 CHADMN Cc1ccccc1[C@H](N[C@H]1CCn2ccnc21)C(C)C ZINC000297495664 1127697511 /nfs/dbraw/zinc/69/75/11/1127697511.db2.gz BRLABNQJRFUKHW-JKSUJKDBSA-N 0 1 269.392 3.623 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H](c2ccccc2)C2CCCC2)c1C ZINC000604316440 1127701655 /nfs/dbraw/zinc/70/16/55/1127701655.db2.gz ABOGHZVCTMGWAE-KRWDZBQOSA-N 0 1 297.402 3.688 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H]1CCc2cc(C)ccc21 ZINC000297619687 1127701665 /nfs/dbraw/zinc/70/16/65/1127701665.db2.gz IWAXYEMYSNECFU-CZUORRHYSA-N 0 1 269.392 3.550 20 0 CHADMN CC[C@@H](NCc1ccc(OC)c(O)c1)c1ccsc1 ZINC000297741371 1127706698 /nfs/dbraw/zinc/70/66/98/1127706698.db2.gz OABMPMGMWNZIOZ-CYBMUJFWSA-N 0 1 277.389 3.703 20 0 CHADMN CC(C)[C@H](C)N(C)Cc1nc(Cl)ccc1Cl ZINC000061630427 1127707223 /nfs/dbraw/zinc/70/72/23/1127707223.db2.gz XJBWTRDZCLCLSB-VIFPVBQESA-N 0 1 261.196 3.865 20 0 CHADMN Cc1ncc(CN[C@@H]2CCCc3nc(Cl)ccc32)s1 ZINC000297826220 1127709624 /nfs/dbraw/zinc/70/96/24/1127709624.db2.gz RPYVQARHIFAJAH-GFCCVEGCSA-N 0 1 293.823 3.667 20 0 CHADMN CCC[C@H](N)c1cc(-c2ccccc2OCC)no1 ZINC000229871675 1127711913 /nfs/dbraw/zinc/71/19/13/1127711913.db2.gz HMCBRAPAVRUXDE-LBPRGKRZSA-N 0 1 260.337 3.540 20 0 CHADMN C[C@H](NC/C=C\C1CC1)c1cc(-c2ccccc2)n(C)n1 ZINC001118863073 1131240696 /nfs/dbraw/zinc/24/06/96/1131240696.db2.gz GRYBKELGUDOZKH-AFNCTOJWSA-N 0 1 281.403 3.704 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCc2ccccc2CC1 ZINC000604757391 1127715610 /nfs/dbraw/zinc/71/56/10/1127715610.db2.gz BZCRKZIBZYXMDG-UHFFFAOYSA-N 0 1 292.357 3.979 20 0 CHADMN Cc1noc([C@H](C)N2CCC[C@H](C(C)(C)C)CC2)n1 ZINC000604759879 1127716156 /nfs/dbraw/zinc/71/61/56/1127716156.db2.gz QOJDEXCFVZTHSJ-AAEUAGOBSA-N 0 1 265.401 3.587 20 0 CHADMN CC(C)(C)C1CCN(Cc2noc3c2CCCC3)CC1 ZINC000604759509 1127716318 /nfs/dbraw/zinc/71/63/18/1127716318.db2.gz TUCJMYGOXAZRKF-UHFFFAOYSA-N 0 1 276.424 3.812 20 0 CHADMN CCc1ccccc1NC(=O)CN1CCC[C@H](CC)CC1 ZINC000604998924 1127725509 /nfs/dbraw/zinc/72/55/09/1127725509.db2.gz SHJAQYHDNGZKLZ-HNNXBMFYSA-N 0 1 288.435 3.700 20 0 CHADMN CC(C)[C@@H]1CCCCN1Cc1ncc(C(C)(C)C)o1 ZINC000605000353 1127725564 /nfs/dbraw/zinc/72/55/64/1127725564.db2.gz KHHRPEFWFVDIDG-ZDUSSCGKSA-N 0 1 264.413 3.983 20 0 CHADMN CC(C)(Cc1ccccc1)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000605124110 1127728721 /nfs/dbraw/zinc/72/87/21/1127728721.db2.gz BJWFOKYPTGAJPF-UHFFFAOYSA-N 0 1 293.370 3.770 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(Cl)c2Cl)n[nH]1 ZINC000605165879 1127729318 /nfs/dbraw/zinc/72/93/18/1127729318.db2.gz DJQILTJZXJHCRE-SECBINFHSA-N 0 1 284.190 3.876 20 0 CHADMN CCS[C@H]1CCCCN(Cc2ccnc(Cl)c2)C1 ZINC000171832748 1127731054 /nfs/dbraw/zinc/73/10/54/1127731054.db2.gz VHZCSOHCMSDVHU-ZDUSSCGKSA-N 0 1 284.856 3.843 20 0 CHADMN C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000298784961 1127732801 /nfs/dbraw/zinc/73/28/01/1127732801.db2.gz VTUXQMPIXPRYPH-UHFFFAOYSA-N 0 1 280.293 3.732 20 0 CHADMN CN(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000298784961 1127732803 /nfs/dbraw/zinc/73/28/03/1127732803.db2.gz VTUXQMPIXPRYPH-UHFFFAOYSA-N 0 1 280.293 3.732 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1ccoc1 ZINC000062103698 1127733574 /nfs/dbraw/zinc/73/35/74/1127733574.db2.gz ZVBCRYNUTXPDIN-CQSZACIVSA-N 0 1 259.349 3.984 20 0 CHADMN CC(C)[C@@H](c1ccccc1)N(C)Cn1cccnc1=S ZINC000172006072 1127738015 /nfs/dbraw/zinc/73/80/15/1127738015.db2.gz VHGZUURFTJMGNP-HNNXBMFYSA-N 0 1 287.432 3.899 20 0 CHADMN COCCN(Cc1cccc(C)n1)Cc1ccc(C)cc1C ZINC000605900068 1127747609 /nfs/dbraw/zinc/74/76/09/1127747609.db2.gz BJHMQCOZUMDAKE-UHFFFAOYSA-N 0 1 298.430 3.655 20 0 CHADMN C[C@@H](NCc1ccccc1-c1cnn(C)c1)c1ccco1 ZINC000371433523 1127766364 /nfs/dbraw/zinc/76/63/64/1127766364.db2.gz XCRWYRDBYYVADO-CYBMUJFWSA-N 0 1 281.359 3.531 20 0 CHADMN CCC(CC)CN1CCO[C@@H](c2ccccc2F)C1 ZINC000409445879 1127770842 /nfs/dbraw/zinc/77/08/42/1127770842.db2.gz GVOFCPYBSKUQBU-MRXNPFEDSA-N 0 1 265.372 3.635 20 0 CHADMN Fc1ccc2c(c1)nccc2N[C@@H]1CCC[C@H]1OC(F)F ZINC000409524753 1127772941 /nfs/dbraw/zinc/77/29/41/1127772941.db2.gz ZXXDTBODUNBSFB-TZMCWYRMSA-N 0 1 296.292 3.946 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C(C)C)cc2)C1 ZINC000062877367 1127780388 /nfs/dbraw/zinc/78/03/88/1127780388.db2.gz UJPVHWVOCMUYSE-SFHVURJKSA-N 0 1 289.419 3.887 20 0 CHADMN CCCN(CCC(F)(F)F)Cc1ccccc1F ZINC000607151354 1127793531 /nfs/dbraw/zinc/79/35/31/1127793531.db2.gz INZUPDICOIAMNV-UHFFFAOYSA-N 0 1 263.278 3.990 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc3ncsc32)cn1 ZINC001232736804 1127808770 /nfs/dbraw/zinc/80/87/70/1127808770.db2.gz RVAZCHIRXMLTKC-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN CS[C@@H]1CCCCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000372731093 1127810834 /nfs/dbraw/zinc/81/08/34/1127810834.db2.gz SWERLXMBCVMXON-MRXNPFEDSA-N 0 1 293.480 3.716 20 0 CHADMN Cc1ccc2nc(SCc3cnc(Cl)cn3)[nH]c2c1 ZINC000231291818 1127810838 /nfs/dbraw/zinc/81/08/38/1127810838.db2.gz NFFKDESNSXBHNT-UHFFFAOYSA-N 0 1 290.779 3.607 20 0 CHADMN Cc1cccc([C@H]2CCC[N@H+]2Cn2cc[nH]c2=S)c1 ZINC000173313844 1127818751 /nfs/dbraw/zinc/81/87/51/1127818751.db2.gz OKDRGGLFMRLJQK-CQSZACIVSA-N 0 1 273.405 3.649 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cn2cc[nH]c2=S)c1 ZINC000173313844 1127818752 /nfs/dbraw/zinc/81/87/52/1127818752.db2.gz OKDRGGLFMRLJQK-CQSZACIVSA-N 0 1 273.405 3.649 20 0 CHADMN C[C@H]1CCCN(Cc2cc3c(c(Cl)c2)OCO3)[C@H]1C ZINC000607754516 1127827640 /nfs/dbraw/zinc/82/76/40/1127827640.db2.gz VIHNJXOABCZVPO-QWRGUYRKSA-N 0 1 281.783 3.689 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3csc(C4CCCC4)n3)C[C@@H]21 ZINC000607753212 1127827840 /nfs/dbraw/zinc/82/78/40/1127827840.db2.gz JWBBIWDTXFDJHL-OKILXGFUSA-N 0 1 276.449 3.889 20 0 CHADMN Clc1ccsc1CN1CCC([C@H]2CCOC2)CC1 ZINC000373324077 1127833889 /nfs/dbraw/zinc/83/38/89/1127833889.db2.gz ZRBWWOAEWMZTJY-LBPRGKRZSA-N 0 1 285.840 3.650 20 0 CHADMN Cc1csc([C@H](NCc2ccc3c[nH]nc3c2)C2CC2)n1 ZINC000608062740 1127841846 /nfs/dbraw/zinc/84/18/46/1127841846.db2.gz ALGQZDPXZFBIDJ-OAHLLOKOSA-N 0 1 298.415 3.569 20 0 CHADMN Cc1ccoc1CNCc1ccccc1COC(C)C ZINC000608053265 1127845348 /nfs/dbraw/zinc/84/53/48/1127845348.db2.gz CYURBAUOAGUVDM-UHFFFAOYSA-N 0 1 273.376 3.803 20 0 CHADMN CC[C@H](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)N(C)CC ZINC000608144949 1127851676 /nfs/dbraw/zinc/85/16/76/1127851676.db2.gz AJEIUSFZWMBWCH-ZOBUZTSGSA-N 0 1 290.451 3.620 20 0 CHADMN O=C(CCCC1CCCC1)Nc1cnn(-c2ccncc2)c1 ZINC000608124288 1127848037 /nfs/dbraw/zinc/84/80/37/1127848037.db2.gz DFSCOWPWCPBYEA-UHFFFAOYSA-N 0 1 298.390 3.566 20 0 CHADMN C[C@H]1c2cc(F)cc(F)c2CCN1CCc1cncs1 ZINC000411314622 1127853767 /nfs/dbraw/zinc/85/37/67/1127853767.db2.gz FEWNLOSEKPRWSS-JTQLQIEISA-N 0 1 294.370 3.583 20 0 CHADMN Cc1ccc2ncc(CN3CCOCC34CCCC4)cc2c1 ZINC000411410693 1127859721 /nfs/dbraw/zinc/85/97/21/1127859721.db2.gz DNYWTOXQMRHSQJ-UHFFFAOYSA-N 0 1 296.414 3.688 20 0 CHADMN Cc1nc([C@@H](C)N2CC=C(c3cc(C)cc(C)c3)CC2)n[nH]1 ZINC000411421719 1127859756 /nfs/dbraw/zinc/85/97/56/1127859756.db2.gz BOJCJMHDMKSKNA-CQSZACIVSA-N 0 1 296.418 3.580 20 0 CHADMN CC1(C)CCN(Cc2cc(-c3ccco3)on2)CCS1 ZINC000411682535 1127869329 /nfs/dbraw/zinc/86/93/29/1127869329.db2.gz FXUOHRUTBBLRBV-UHFFFAOYSA-N 0 1 292.404 3.652 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCN1[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411656229 1127868095 /nfs/dbraw/zinc/86/80/95/1127868095.db2.gz ACQQEMPTVWENKI-GJQVQUKXSA-N 0 1 287.300 3.954 20 0 CHADMN c1coc([C@@H]2CCN(Cc3ncc(-c4ccccc4)o3)C2)c1 ZINC000374004608 1127869281 /nfs/dbraw/zinc/86/92/81/1127869281.db2.gz XQMYYBFFTJCDFE-OAHLLOKOSA-N 0 1 294.354 3.924 20 0 CHADMN c1coc(-c2cc(CN3CC[C@@H](c4ccco4)C3)no2)c1 ZINC000374002148 1127869420 /nfs/dbraw/zinc/86/94/20/1127869420.db2.gz KOJMFCROJJKYBQ-GFCCVEGCSA-N 0 1 284.315 3.517 20 0 CHADMN CCc1cnc(C[N@H+]2CCC[C@@H](C(C)(C)C)CC2)o1 ZINC000608497799 1127870659 /nfs/dbraw/zinc/87/06/59/1127870659.db2.gz DAQTVCCPTWWTQS-CYBMUJFWSA-N 0 1 264.413 3.885 20 0 CHADMN CCc1cnc(CN2CCC[C@@H](C(C)(C)C)CC2)o1 ZINC000608497799 1127870664 /nfs/dbraw/zinc/87/06/64/1127870664.db2.gz DAQTVCCPTWWTQS-CYBMUJFWSA-N 0 1 264.413 3.885 20 0 CHADMN CCc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000608498698 1127871710 /nfs/dbraw/zinc/87/17/10/1127871710.db2.gz PWSULPPBEXZBED-UHFFFAOYSA-N 0 1 273.420 3.784 20 0 CHADMN CCc1ccc(CN2CCOC3(CCCCC3)C2)cc1 ZINC000608498698 1127871715 /nfs/dbraw/zinc/87/17/15/1127871715.db2.gz PWSULPPBEXZBED-UHFFFAOYSA-N 0 1 273.420 3.784 20 0 CHADMN COc1ccc(OC)c(CN2C3CCCC2CCC3)c1 ZINC000608499030 1127871992 /nfs/dbraw/zinc/87/19/92/1127871992.db2.gz SJZHQXRJFAHVAB-UHFFFAOYSA-N 0 1 275.392 3.611 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2OC(F)F)C[C@H](C)S1 ZINC000608502164 1127873063 /nfs/dbraw/zinc/87/30/63/1127873063.db2.gz FEMOOVPOLAFAFA-PHIMTYICSA-N 0 1 287.375 3.614 20 0 CHADMN C[C@H]1CN([C@@H]2C[C@H]2c2cccc(F)c2)CCC1(F)F ZINC000411750910 1127873319 /nfs/dbraw/zinc/87/33/19/1127873319.db2.gz NFGLUFCRZBXCQU-LEWSCRJBSA-N 0 1 269.310 3.659 20 0 CHADMN Fc1cccc(F)c1CN1CCSC2(CCC2)CC1 ZINC000411867106 1127876285 /nfs/dbraw/zinc/87/62/85/1127876285.db2.gz IRGPWUJSGGVEBV-UHFFFAOYSA-N 0 1 283.387 3.826 20 0 CHADMN C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1ccccc1N(C)C ZINC000608561346 1127876485 /nfs/dbraw/zinc/87/64/85/1127876485.db2.gz GZBCJIPNBUDKTK-OAHLLOKOSA-N 0 1 296.414 3.708 20 0 CHADMN C[C@@H]1c2ccccc2OCCN1Cc1ccccc1N(C)C ZINC000608561346 1127876489 /nfs/dbraw/zinc/87/64/89/1127876489.db2.gz GZBCJIPNBUDKTK-OAHLLOKOSA-N 0 1 296.414 3.708 20 0 CHADMN CCC(CC)n1ccc(CN[C@H](C)[C@@](C)(OC)C2CC2)n1 ZINC000411968506 1127884187 /nfs/dbraw/zinc/88/41/87/1127884187.db2.gz JWNSJVQLCPJEME-CXAGYDPISA-N 0 1 293.455 3.537 20 0 CHADMN COC(=O)c1coc(CN(C)[C@H]2CCCc3ccccc32)c1 ZINC000608832413 1127889317 /nfs/dbraw/zinc/88/93/17/1127889317.db2.gz ILBUURBEFDMSTC-KRWDZBQOSA-N 0 1 299.370 3.576 20 0 CHADMN CC[N@@H+](Cc1nc2ccc(F)cc2o1)C1CC(C)(C)C1 ZINC000412035003 1127890080 /nfs/dbraw/zinc/89/00/80/1127890080.db2.gz KGISZRWQDBCLAJ-UHFFFAOYSA-N 0 1 276.355 3.977 20 0 CHADMN C[C@H]1CC(C)(C)CN1Cc1nnc(-c2ccccc2)s1 ZINC000412047624 1127892512 /nfs/dbraw/zinc/89/25/12/1127892512.db2.gz SSNLYCMMCVDYHP-LBPRGKRZSA-N 0 1 287.432 3.826 20 0 CHADMN C[C@@H](c1nc(Cc2ccccc2)no1)N1CC(C)(C)C[C@H]1C ZINC000412039977 1127892854 /nfs/dbraw/zinc/89/28/54/1127892854.db2.gz JXXOSJAIRKFGRZ-KGLIPLIRSA-N 0 1 299.418 3.842 20 0 CHADMN C[C@@H]1CC(C)(C)CN1Cc1csc(-c2ccccn2)n1 ZINC000412039210 1127893496 /nfs/dbraw/zinc/89/34/96/1127893496.db2.gz JGHZOBLAXXEHHK-GFCCVEGCSA-N 0 1 287.432 3.826 20 0 CHADMN Fc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)c(Cl)c1F ZINC001232874571 1127894721 /nfs/dbraw/zinc/89/47/21/1127894721.db2.gz WTDUPDLBCDDQEC-AOOOYVTPSA-N 0 1 271.738 3.850 20 0 CHADMN COc1cccc([C@@H](C)N2CCOC3(CCCCC3)C2)c1 ZINC000429785572 1127905380 /nfs/dbraw/zinc/90/53/80/1127905380.db2.gz LNWLPSGFSJBPFD-OAHLLOKOSA-N 0 1 289.419 3.791 20 0 CHADMN CCCCc1nc(CN[C@@]2(C)CCO[C@H]2C2CC2)cs1 ZINC000374632686 1127907537 /nfs/dbraw/zinc/90/75/37/1127907537.db2.gz SHZZJXGITBIDMG-HOTGVXAUSA-N 0 1 294.464 3.533 20 0 CHADMN Cc1ncc(CN2CCC(C)=C(c3ccco3)C2)s1 ZINC000374616944 1127906708 /nfs/dbraw/zinc/90/67/08/1127906708.db2.gz DEHMCSIGOQFWJC-UHFFFAOYSA-N 0 1 274.389 3.724 20 0 CHADMN C[C@H](NCc1cc(-c2ccccc2)n[nH]1)c1ccsc1 ZINC000669831066 1127929650 /nfs/dbraw/zinc/92/96/50/1127929650.db2.gz NRKNJMKHTOVJDE-LBPRGKRZSA-N 0 1 283.400 3.989 20 0 CHADMN Cc1ccccc1CNc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000630059274 1127925314 /nfs/dbraw/zinc/92/53/14/1127925314.db2.gz IEMLZYFIWCHBAC-UHFFFAOYSA-N 0 1 282.322 3.531 20 0 CHADMN C[N@H+](Cc1cccc(F)c1)C[C@H](O)c1cccc(Cl)c1 ZINC000174654874 1127928015 /nfs/dbraw/zinc/92/80/15/1127928015.db2.gz ITGFAYKEIBVYPV-INIZCTEOSA-N 0 1 293.769 3.645 20 0 CHADMN C[C@@H](NCc1ccc(-c2cc[nH]n2)o1)c1ccsc1 ZINC000669831188 1127930416 /nfs/dbraw/zinc/93/04/16/1127930416.db2.gz WGQUOKQHGIBFPT-SNVBAGLBSA-N 0 1 273.361 3.582 20 0 CHADMN COc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)cc1F ZINC000470944432 1127933419 /nfs/dbraw/zinc/93/34/19/1127933419.db2.gz IVAZPOJMWWSWII-MWLCHTKSSA-N 0 1 291.288 3.607 20 0 CHADMN Cc1nc([C@@H](C)Sc2ccc(Cl)cc2)n[nH]1 ZINC000412976041 1127933967 /nfs/dbraw/zinc/93/39/67/1127933967.db2.gz HATAVXUECSDDBX-SSDOTTSWSA-N 0 1 253.758 3.620 20 0 CHADMN COc1ccccc1[C@@H](C)S[C@@H](C)c1n[nH]c(C)n1 ZINC000413002904 1127937980 /nfs/dbraw/zinc/93/79/80/1127937980.db2.gz VQQWQPQSVFMGDN-ZJUUUORDSA-N 0 1 277.393 3.677 20 0 CHADMN Cc1nc([C@H](C)SCc2ccccc2C2CC2)n[nH]1 ZINC000413003712 1127938612 /nfs/dbraw/zinc/93/86/12/1127938612.db2.gz IXOZMROUJLBXEP-JTQLQIEISA-N 0 1 273.405 3.985 20 0 CHADMN Fc1ccccc1CN1CCC(F)(c2cccnc2)CC1 ZINC000375339066 1127941610 /nfs/dbraw/zinc/94/16/10/1127941610.db2.gz WBLLXZPFTLKTGC-UHFFFAOYSA-N 0 1 288.341 3.682 20 0 CHADMN CC(C)Cc1ccc(CN(C)Cc2ccc[nH]2)cc1 ZINC000539824167 1127940992 /nfs/dbraw/zinc/94/09/92/1127940992.db2.gz AROTZMBWZLLVSO-UHFFFAOYSA-N 0 1 256.393 3.845 20 0 CHADMN C[C@@H](CCc1cccc(F)c1)[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000375346146 1127942004 /nfs/dbraw/zinc/94/20/04/1127942004.db2.gz VRWPWNVWZVQJFP-BBRMVZONSA-N 0 1 287.382 3.707 20 0 CHADMN C[C@@H](CCc1cccc(F)c1)N1CCC[C@H]1c1ncc[nH]1 ZINC000375346146 1127942007 /nfs/dbraw/zinc/94/20/07/1127942007.db2.gz VRWPWNVWZVQJFP-BBRMVZONSA-N 0 1 287.382 3.707 20 0 CHADMN C[C@]1(O)CCCN(Cc2cnc(C3CCCCC3)s2)C1 ZINC000539816948 1127942338 /nfs/dbraw/zinc/94/23/38/1127942338.db2.gz JMDUTLBLSMHBRK-INIZCTEOSA-N 0 1 294.464 3.538 20 0 CHADMN COc1cc(C)c([C@H](C)NCc2cccc(C)n2)cc1C ZINC000753625354 1127945863 /nfs/dbraw/zinc/94/58/63/1127945863.db2.gz NEDUASXIYWAGLW-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN CN(CCN(C)c1ccccc1)Cc1ccc(Cl)o1 ZINC000539833943 1127946597 /nfs/dbraw/zinc/94/65/97/1127946597.db2.gz WDKQMYBHYKQJCJ-UHFFFAOYSA-N 0 1 278.783 3.501 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1Cc1cc(OC)cc(C)n1 ZINC000466933564 1127949902 /nfs/dbraw/zinc/94/99/02/1127949902.db2.gz RJIOKCWTLPMPSI-SFHVURJKSA-N 0 1 296.414 3.736 20 0 CHADMN C[C@H](OC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)c1ccc(F)cc1 ZINC000741016506 1127954762 /nfs/dbraw/zinc/95/47/62/1127954762.db2.gz IGSUSBNWJNHULX-MQYQWHSLSA-N 0 1 293.382 3.691 20 0 CHADMN COC[C@H]1CCCC[N@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000467117873 1127955637 /nfs/dbraw/zinc/95/56/37/1127955637.db2.gz NEXGPSAIXRYSGK-OLZOCXBDSA-N 0 1 283.362 3.774 20 0 CHADMN COc1ccccc1/C=C\CN(C)Cc1ccccc1OC ZINC000505603669 1127958388 /nfs/dbraw/zinc/95/83/88/1127958388.db2.gz AQAMKTFFMGKCQJ-FLIBITNWSA-N 0 1 297.398 3.849 20 0 CHADMN CC[C@H](c1ccccc1)N(CC(=O)OC)C1CCCC1 ZINC000540063235 1127960334 /nfs/dbraw/zinc/96/03/34/1127960334.db2.gz JZWDXIHLXJQIEG-MRXNPFEDSA-N 0 1 275.392 3.555 20 0 CHADMN Cc1cccc([C@@H](C)N[C@H](CO)c2cccc(F)c2)c1 ZINC000540188243 1127967411 /nfs/dbraw/zinc/96/74/11/1127967411.db2.gz RAYOMYKBYMUTSV-CXAGYDPISA-N 0 1 273.351 3.518 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c(C)c1 ZINC000540140420 1127962605 /nfs/dbraw/zinc/96/26/05/1127962605.db2.gz OZZQURURLMHAFT-UONOGXRCSA-N 0 1 286.423 3.957 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3c1cccc3F)CO2 ZINC000540158421 1127963910 /nfs/dbraw/zinc/96/39/10/1127963910.db2.gz VDXMYYBIXRMHNT-SJORKVTESA-N 0 1 283.346 3.845 20 0 CHADMN CO[C@@H](CN1CCCC[C@@H]1c1ncc[nH]1)C1CCCCC1 ZINC000660008356 1127968146 /nfs/dbraw/zinc/96/81/46/1127968146.db2.gz XLHXDSPRTDKXOX-CVEARBPZSA-N 0 1 291.439 3.532 20 0 CHADMN COC[C@H](CC(C)C)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000467445719 1127969124 /nfs/dbraw/zinc/96/91/24/1127969124.db2.gz BJUQNLRXJYLMBI-HNNXBMFYSA-N 0 1 298.858 3.875 20 0 CHADMN c1ccc2sc(C3CN([C@H]4C=CCCC4)C3)nc2c1 ZINC000540240909 1127971335 /nfs/dbraw/zinc/97/13/35/1127971335.db2.gz NAFMARUPFXPTSC-ZDUSSCGKSA-N 0 1 270.401 3.804 20 0 CHADMN CC(C)CN(C)Cc1cc(F)ccc1Br ZINC000506444639 1127977978 /nfs/dbraw/zinc/97/79/78/1127977978.db2.gz MECPXNNUBDDXKN-UHFFFAOYSA-N 0 1 274.177 3.676 20 0 CHADMN CCCn1c2ccccc2nc1CN1CC[C@H]1C(C)C ZINC000540502184 1127982552 /nfs/dbraw/zinc/98/25/52/1127982552.db2.gz FHXFTMHZFLHCNP-HNNXBMFYSA-N 0 1 271.408 3.677 20 0 CHADMN CCCn1c2ccccc2nc1CN1CC[C@@H]1C(C)C ZINC000540502185 1127982998 /nfs/dbraw/zinc/98/29/98/1127982998.db2.gz FHXFTMHZFLHCNP-OAHLLOKOSA-N 0 1 271.408 3.677 20 0 CHADMN C[C@@H]1CCN(Cc2nc3cc(F)ccc3o2)CC1(C)C ZINC000544783499 1127983943 /nfs/dbraw/zinc/98/39/43/1127983943.db2.gz ARKFVWYGINTDCW-LLVKDONJSA-N 0 1 276.355 3.835 20 0 CHADMN CC[C@@]1(C)CCN([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000468122210 1127992648 /nfs/dbraw/zinc/99/26/48/1127992648.db2.gz WZEYZNNQTPJXMM-KSSFIOAISA-N 0 1 299.418 3.843 20 0 CHADMN C(=Cc1ccccc1)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000545025082 1127996487 /nfs/dbraw/zinc/99/64/87/1127996487.db2.gz RAEBEMYDTXKKPM-RMKNXTFCSA-N 0 1 288.310 3.783 20 0 CHADMN Cc1ccc(F)cc1CN(Cc1ccccn1)C(C)C ZINC000540913579 1128001502 /nfs/dbraw/zinc/00/15/02/1128001502.db2.gz FOGYIJKMQXKUCS-UHFFFAOYSA-N 0 1 272.367 3.940 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000540954003 1128002394 /nfs/dbraw/zinc/00/23/94/1128002394.db2.gz UAZMFQWIIJEIOY-UONOGXRCSA-N 0 1 286.423 3.833 20 0 CHADMN CCOC(=O)[C@H](CC(C)C)N1CCC[C@@H]1c1cccs1 ZINC000541065535 1128007336 /nfs/dbraw/zinc/00/73/36/1128007336.db2.gz OSQRQGNAUPJLLH-KGLIPLIRSA-N 0 1 295.448 3.863 20 0 CHADMN CC(C)N(Cc1ncc(Br)s1)CC1CC1 ZINC000541225586 1128011962 /nfs/dbraw/zinc/01/19/62/1128011962.db2.gz UBHAQSWJMPFAPF-UHFFFAOYSA-N 0 1 289.242 3.526 20 0 CHADMN C[C@H](O)C[C@H](C)Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000541192089 1128010430 /nfs/dbraw/zinc/01/04/30/1128010430.db2.gz YONLYFXDZQJRMK-UWVGGRQHSA-N 0 1 298.308 3.825 20 0 CHADMN CC(C)C[C@H](CN1CCn2cncc2C1)c1ccccc1 ZINC000516609578 1128010490 /nfs/dbraw/zinc/01/04/90/1128010490.db2.gz ULEFLVZFYOKJCM-QGZVFWFLSA-N 0 1 283.419 3.529 20 0 CHADMN Cc1nc(C)c(CN2CCCCC[C@H]2c2ccco2)[nH]1 ZINC000929677270 1128020035 /nfs/dbraw/zinc/02/00/35/1128020035.db2.gz WBRVIUCBHXLGLL-HNNXBMFYSA-N 0 1 273.380 3.737 20 0 CHADMN C[C@H]1CN(Cc2csc(N(C)C3CC3)n2)CC(C)(C)C1 ZINC000541326663 1128018291 /nfs/dbraw/zinc/01/82/91/1128018291.db2.gz VGGORVXQNRWXDM-GFCCVEGCSA-N 0 1 293.480 3.610 20 0 CHADMN CCc1cccc(CN2CCO[C@@H](c3ccccc3)C2)c1 ZINC000468805679 1128022998 /nfs/dbraw/zinc/02/29/98/1128022998.db2.gz DAKVEXQCLIOOHH-LJQANCHMSA-N 0 1 281.399 3.823 20 0 CHADMN Cc1cc(-c2noc([C@@H]3CC[C@H](C)C3)n2)cc2nc[nH]c21 ZINC000545725012 1128030915 /nfs/dbraw/zinc/03/09/15/1128030915.db2.gz WPCCWOQZYHSNGA-GXSJLCMTSA-N 0 1 282.347 3.825 20 0 CHADMN COC(=O)c1ccc([C@H](C)NC(C)(C)c2cccs2)o1 ZINC000541644672 1128032967 /nfs/dbraw/zinc/03/29/67/1128032967.db2.gz KXZRJQAITIVFNB-JTQLQIEISA-N 0 1 293.388 3.714 20 0 CHADMN CC(C)[C@H](NCc1cnc(-c2ccccc2)[nH]1)C(F)(F)F ZINC000469094040 1128034736 /nfs/dbraw/zinc/03/47/36/1128034736.db2.gz YQEFGHOUDCSULX-ZDUSSCGKSA-N 0 1 297.324 3.753 20 0 CHADMN CC(C)OC1CCN(C/C=C\c2ccc(F)cc2F)CC1 ZINC000541772649 1128039034 /nfs/dbraw/zinc/03/90/34/1128039034.db2.gz FAJGFAQYTCTJDL-ARJAWSKDSA-N 0 1 295.373 3.867 20 0 CHADMN CCC1(C)CN(C(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)C1 ZINC000428814566 1128040903 /nfs/dbraw/zinc/04/09/03/1128040903.db2.gz DFKCDECIEFZVKB-UHFFFAOYSA-N 0 1 297.402 3.566 20 0 CHADMN CC[C@H](C)CN(CC)[C@@H](C)c1nnnn1C1CCCCC1 ZINC000469713175 1128050448 /nfs/dbraw/zinc/05/04/48/1128050448.db2.gz MNAKXNHUYGPELW-KBPBESRZSA-N 0 1 293.459 3.607 20 0 CHADMN Clc1cc2c(c(C[N@H+]3CC[C@@H](C4CC4)C3)c1)OCC2 ZINC000542157104 1128053722 /nfs/dbraw/zinc/05/37/22/1128053722.db2.gz SLSJHYWYWJQQQZ-CYBMUJFWSA-N 0 1 277.795 3.507 20 0 CHADMN Fc1ccc2c(c1)CN(CCc1ccccc1F)CC2 ZINC000469957688 1128059300 /nfs/dbraw/zinc/05/93/00/1128059300.db2.gz PLAPZPICBWSWDI-UHFFFAOYSA-N 0 1 273.326 3.566 20 0 CHADMN C[C@@H]1CC[C@@H](N(C)C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000469951910 1128059394 /nfs/dbraw/zinc/05/93/94/1128059394.db2.gz CXDONUZJYOTMMA-TZMCWYRMSA-N 0 1 289.423 3.718 20 0 CHADMN C[C@H]1CC[C@@H](N(C)C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000469951907 1128059431 /nfs/dbraw/zinc/05/94/31/1128059431.db2.gz CXDONUZJYOTMMA-GXTWGEPZSA-N 0 1 289.423 3.718 20 0 CHADMN CO[C@H](CN1CC[C@@H](C)[C@@H](F)C1)c1ccc(Cl)cc1 ZINC000669932896 1128068289 /nfs/dbraw/zinc/06/82/89/1128068289.db2.gz VNZUIJLFLNTDKH-BYCMXARLSA-N 0 1 285.790 3.707 20 0 CHADMN CCCC[C@@H](CC)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000470353362 1128069034 /nfs/dbraw/zinc/06/90/34/1128069034.db2.gz UHWXAVMDORZCHG-CYBMUJFWSA-N 0 1 293.455 3.882 20 0 CHADMN C[C@H](NCc1cc(F)cc2c1OCOC2)c1ccsc1 ZINC000669937974 1128076857 /nfs/dbraw/zinc/07/68/57/1128076857.db2.gz YXLJIHBGKIKOAV-JTQLQIEISA-N 0 1 293.363 3.605 20 0 CHADMN C[C@@H](NCc1cncn1Cc1ccccc1)c1ccsc1 ZINC000669939012 1128077617 /nfs/dbraw/zinc/07/76/17/1128077617.db2.gz HQGCRVFNRSPYFE-CQSZACIVSA-N 0 1 297.427 3.844 20 0 CHADMN CSCCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000172906226 1128079533 /nfs/dbraw/zinc/07/95/33/1128079533.db2.gz SOAFPBONSPGVPO-UHFFFAOYSA-N 0 1 299.852 3.970 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1OC ZINC000211378176 1128084030 /nfs/dbraw/zinc/08/40/30/1128084030.db2.gz QXMPCCSCBGRVCB-HNNXBMFYSA-N 0 1 291.391 3.548 20 0 CHADMN COC(=O)c1cccc(CN2C[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000471025256 1128085067 /nfs/dbraw/zinc/08/50/67/1128085067.db2.gz KFWSPNQKQDDTIZ-RDTXWAMCSA-N 0 1 295.382 3.666 20 0 CHADMN CCN(CCc1ccccc1)Cc1ccncc1Cl ZINC000173572193 1128090621 /nfs/dbraw/zinc/09/06/21/1128090621.db2.gz MUWNYECSHMNIGI-UHFFFAOYSA-N 0 1 274.795 3.800 20 0 CHADMN Cc1cnc([C@@H](C)NCc2ccc(C)cc2C)s1 ZINC000134907003 1128092039 /nfs/dbraw/zinc/09/20/39/1128092039.db2.gz IFUQEQQVWVOGND-CYBMUJFWSA-N 0 1 260.406 3.919 20 0 CHADMN COc1ccc(CN[C@H]2CCc3c2nccc3Cl)cc1 ZINC000924531530 1128101748 /nfs/dbraw/zinc/10/17/48/1128101748.db2.gz LGCMXMCSZFGSQO-HNNXBMFYSA-N 0 1 288.778 3.521 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@@H](C)c1cn2c(n1)CCCC2 ZINC000924543397 1128103369 /nfs/dbraw/zinc/10/33/69/1128103369.db2.gz QGSRCFCEDRNMRJ-CABCVRRESA-N 0 1 283.419 3.940 20 0 CHADMN COc1ccnc([C@H](C)NCc2ccc(Cl)cc2)c1 ZINC000924544467 1128103511 /nfs/dbraw/zinc/10/35/11/1128103511.db2.gz ZCIWEBRPFNAKKL-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN C[C@H](NCCCSc1ccc(F)cc1)c1ncco1 ZINC000924547567 1128103705 /nfs/dbraw/zinc/10/37/05/1128103705.db2.gz SCWIEEZVGIBZQW-NSHDSACASA-N 0 1 280.368 3.647 20 0 CHADMN Cc1ccccc1CN[C@@H]1CCc2c1nccc2Cl ZINC000924558707 1128104401 /nfs/dbraw/zinc/10/44/01/1128104401.db2.gz BVACPMMCCCYIRW-OAHLLOKOSA-N 0 1 272.779 3.821 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)C2(Br)CC2)o1 ZINC000924563325 1128105466 /nfs/dbraw/zinc/10/54/66/1128105466.db2.gz ICCYMIPTTJPXNF-NXEZZACHSA-N 0 1 272.186 3.555 20 0 CHADMN COc1cc([C@@H](C)N[C@H](c2ccc(F)cc2)C(C)C)on1 ZINC000924581170 1128106454 /nfs/dbraw/zinc/10/64/54/1128106454.db2.gz PAFAFQSCJAZERU-BZNIZROVSA-N 0 1 292.354 3.870 20 0 CHADMN CC[C@@H](NCc1cccc(C)c1)c1cccc(OC)n1 ZINC000924594229 1128106503 /nfs/dbraw/zinc/10/65/03/1128106503.db2.gz AUDYBNWROHXZKE-OAHLLOKOSA-N 0 1 270.376 3.640 20 0 CHADMN C[C@H](N[C@H]1CCCc2occc21)c1cnn(C2CCC2)c1 ZINC000924642114 1128109010 /nfs/dbraw/zinc/10/90/10/1128109010.db2.gz APSHZQOJXAKODC-LRDDRELGSA-N 0 1 285.391 3.929 20 0 CHADMN COCc1cccc(CN[C@@H](C)c2cc(O)cc(F)c2)c1 ZINC000924685041 1128109680 /nfs/dbraw/zinc/10/96/80/1128109680.db2.gz NQOCODROKZWCOO-LBPRGKRZSA-N 0 1 289.350 3.529 20 0 CHADMN C[C@H](NCc1ccc(Cl)nc1)c1ccnn1C1CCC1 ZINC000924713224 1128110913 /nfs/dbraw/zinc/11/09/13/1128110913.db2.gz NYRGEPIBYAVCTJ-NSHDSACASA-N 0 1 290.798 3.507 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)C1CCCCC1)c1cnn(C)n1 ZINC000924814769 1128113529 /nfs/dbraw/zinc/11/35/29/1128113529.db2.gz OWTQTQSZBGNMSM-RDTXWAMCSA-N 0 1 298.434 3.787 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1coc2ccccc12 ZINC000924779813 1128112559 /nfs/dbraw/zinc/11/25/59/1128112559.db2.gz GAZDWMOVCVBWPP-SNVBAGLBSA-N 0 1 270.332 3.888 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2NCCc1ccc(Cl)s1 ZINC000924819178 1128113665 /nfs/dbraw/zinc/11/36/65/1128113665.db2.gz DNUWWZRJZTYTTG-NSHDSACASA-N 0 1 296.823 3.908 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)c1cccnc1)C1(Cl)CC1 ZINC000924936200 1128116795 /nfs/dbraw/zinc/11/67/95/1128116795.db2.gz FDGVUWOASLJVHB-BBRMVZONSA-N 0 1 286.806 3.921 20 0 CHADMN C[C@H](N[C@H]1C[C@H]1C)c1ncc(C(F)(F)F)cc1Cl ZINC000924952989 1128117215 /nfs/dbraw/zinc/11/72/15/1128117215.db2.gz YPNNEDBKKLYUNI-FWWHASMVSA-N 0 1 278.705 3.813 20 0 CHADMN C[C@@H]1C[C@H]1N[C@@H](c1cc2ccccc2o1)c1ccccn1 ZINC000924952569 1128117319 /nfs/dbraw/zinc/11/73/19/1128117319.db2.gz XGRWRHCFPRMUJH-CDHAZOANSA-N 0 1 278.355 3.915 20 0 CHADMN c1sc(C2CC2)nc1CN[C@H]1CCOC12CCCCC2 ZINC000925037221 1128119292 /nfs/dbraw/zinc/11/92/92/1128119292.db2.gz LBLBHSIXYABMOL-AWEZNQCLSA-N 0 1 292.448 3.602 20 0 CHADMN Fc1ccc(CNCc2ccc(OC(F)F)cc2)c(F)c1 ZINC000020145266 1128119529 /nfs/dbraw/zinc/11/95/29/1128119529.db2.gz HAFWNVQZFRIMNY-UHFFFAOYSA-N 0 1 299.267 3.856 20 0 CHADMN CCc1cc(CNC2CC(Sc3ccccc3)C2)on1 ZINC000925131228 1128122813 /nfs/dbraw/zinc/12/28/13/1128122813.db2.gz YFIMIMGGLMUASE-UHFFFAOYSA-N 0 1 288.416 3.650 20 0 CHADMN COc1ccc([C@H](C)CCN[C@H](C)c2ncco2)cc1 ZINC000925143414 1128123424 /nfs/dbraw/zinc/12/34/24/1128123424.db2.gz ZWWKUTFVASJTED-CHWSQXEVSA-N 0 1 274.364 3.528 20 0 CHADMN CC1(C)Cc2ccccc2N(C(=O)c2c(O)cccc2F)C1 ZINC000646754737 1128126532 /nfs/dbraw/zinc/12/65/32/1128126532.db2.gz VNKOJEUBKSWDKQ-UHFFFAOYSA-N 0 1 299.345 3.760 20 0 CHADMN CC(C)COc1ccc([C@@H](C)N[C@H](C)c2ccnnc2)cc1 ZINC000925266383 1128126948 /nfs/dbraw/zinc/12/69/48/1128126948.db2.gz YJQWSDVCBXIQJY-HUUCEWRRSA-N 0 1 299.418 3.923 20 0 CHADMN COc1ccc(C)cc1CN[C@@H](C)c1cnn(C2CCC2)c1 ZINC000925304127 1128127960 /nfs/dbraw/zinc/12/79/60/1128127960.db2.gz FTEKRPFSYWJJOR-AWEZNQCLSA-N 0 1 299.418 3.776 20 0 CHADMN C[C@H](NCCCc1cccc(Cl)c1)c1ncco1 ZINC000925354843 1128128052 /nfs/dbraw/zinc/12/80/52/1128128052.db2.gz QCGVYPGMUKRREU-NSHDSACASA-N 0 1 264.756 3.611 20 0 CHADMN C[C@H](N[C@@H]1CCC(C)(C)c2ccccc21)c1cn(C)cn1 ZINC000925352946 1128128124 /nfs/dbraw/zinc/12/81/24/1128128124.db2.gz RYDZBYLXZQVFRV-XJKSGUPXSA-N 0 1 283.419 3.883 20 0 CHADMN CCn1c2ccccc2nc1[C@H](C)N[C@@H](C)C1(Cl)CC1 ZINC000925440392 1128129430 /nfs/dbraw/zinc/12/94/30/1128129430.db2.gz RKJWVVWLXSZNCB-RYUDHWBXSA-N 0 1 291.826 3.867 20 0 CHADMN CC[C@H](O)CCCN[C@H](c1cccc(C)c1)c1ccccn1 ZINC000925459785 1128130042 /nfs/dbraw/zinc/13/00/42/1128130042.db2.gz OQAWNZMLBGFOGU-PKOBYXMFSA-N 0 1 298.430 3.620 20 0 CHADMN CCC1(CC)[C@H](N[C@H]2CCCc3oc(C)nc32)C[C@H]1OC ZINC000925545566 1128131693 /nfs/dbraw/zinc/13/16/93/1128131693.db2.gz GVDJZJBGYGMNKN-NWANDNLSSA-N 0 1 292.423 3.544 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c[nH]nc21)c1cc2ccccc2[nH]1 ZINC000925549870 1128131737 /nfs/dbraw/zinc/13/17/37/1128131737.db2.gz JPLWPEULPADOQG-ABAIWWIYSA-N 0 1 280.375 3.619 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2Nc1cnn(-c2ccncc2)c1 ZINC000777565875 1128132421 /nfs/dbraw/zinc/13/24/21/1128132421.db2.gz HTVPNFJGYUSOSX-GOSISDBHSA-N 0 1 290.370 3.675 20 0 CHADMN CC(=O)[C@@H](N[C@H](C)Cc1cccc(F)c1)c1ccccc1 ZINC001168456323 1128133685 /nfs/dbraw/zinc/13/36/85/1128133685.db2.gz PHHYVRRINFNURB-FZKQIMNGSA-N 0 1 285.362 3.677 20 0 CHADMN CC[C@@H](N[C@@H](c1cccnc1)C1CC1)c1cccc(OC)n1 ZINC000925644777 1128135799 /nfs/dbraw/zinc/13/57/99/1128135799.db2.gz NWZZHMOKSOHLSC-CRAIPNDOSA-N 0 1 297.402 3.677 20 0 CHADMN C[C@H](NCC(C)(C)C1CCCCC1)c1ncco1 ZINC000925666852 1128136322 /nfs/dbraw/zinc/13/63/22/1128136322.db2.gz OEPMVHTVGGQNIQ-LBPRGKRZSA-N 0 1 250.386 3.932 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@@H](C)c1cccc2c1OCO2 ZINC000925684602 1128136744 /nfs/dbraw/zinc/13/67/44/1128136744.db2.gz IJUDRZUEENRDKC-STQMWFEESA-N 0 1 298.386 3.785 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@H](C)c1ccns1 ZINC000925684884 1128137260 /nfs/dbraw/zinc/13/72/60/1128137260.db2.gz JKZZJGLDQUYRTP-GHMZBOCLSA-N 0 1 261.394 3.512 20 0 CHADMN CC[C@@H](NCc1ccco1)c1ccc2c(c1)CCCO2 ZINC000152547964 1128138199 /nfs/dbraw/zinc/13/81/99/1128138199.db2.gz PLFGMJSJWNWYCE-MRXNPFEDSA-N 0 1 271.360 3.846 20 0 CHADMN CC=C(C=CC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1)CC ZINC000493557460 1128143178 /nfs/dbraw/zinc/14/31/78/1128143178.db2.gz OFFFCKVESYYUQP-GSSAJISUSA-N 0 1 289.423 3.578 20 0 CHADMN CCc1nnc([C@H](C)N[C@H]2CCC[C@@H]2CCC(C)C)o1 ZINC000493570873 1128144347 /nfs/dbraw/zinc/14/43/47/1128144347.db2.gz CLHKXILQGOWQSN-MJBXVCDLSA-N 0 1 279.428 3.888 20 0 CHADMN CC(C)CC[C@H]1CCC[C@H]1NCc1nc(C(C)C)no1 ZINC000493680719 1128146905 /nfs/dbraw/zinc/14/69/05/1128146905.db2.gz NCGSHAYWHCODPX-ZIAGYGMSSA-N 0 1 279.428 3.888 20 0 CHADMN CC(C)Oc1ccc(CON=C(N)C(C)C)cc1Cl ZINC000777586926 1128153655 /nfs/dbraw/zinc/15/36/55/1128153655.db2.gz QCPKKAVKTKAZLM-UHFFFAOYSA-N 0 1 284.787 3.782 20 0 CHADMN Cc1ncc(CNCc2ccc3nc(C)sc3c2)s1 ZINC000494016658 1128154169 /nfs/dbraw/zinc/15/41/69/1128154169.db2.gz JIGOBWKCBMLGCD-UHFFFAOYSA-N 0 1 289.429 3.659 20 0 CHADMN CCC[C@@H](NCCOC(C)C)c1ncccc1Cl ZINC000926156694 1128157229 /nfs/dbraw/zinc/15/72/29/1128157229.db2.gz UKEHMKKPSZQWCY-CYBMUJFWSA-N 0 1 270.804 3.591 20 0 CHADMN Cc1ccc(C[N@@H+]2CC[C@](C(=O)[O-])(C(C)C)C2)cc1Cl ZINC000232782423 1128157855 /nfs/dbraw/zinc/15/78/55/1128157855.db2.gz YIAULUYZQKUVRU-MRXNPFEDSA-N 0 1 295.810 3.581 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000232777968 1128157981 /nfs/dbraw/zinc/15/79/81/1128157981.db2.gz UIUYPHIDPSVMIZ-CRAIPNDOSA-N 0 1 289.419 3.613 20 0 CHADMN C[C@@H]1C[C@H]1CN[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000542475119 1128158127 /nfs/dbraw/zinc/15/81/27/1128158127.db2.gz QITSYOSXIRISMB-BTJLNZGRSA-N 0 1 288.341 3.695 20 0 CHADMN Clc1ccc([C@H]2CCCCCN2CC2OCCO2)cc1 ZINC000777589224 1128158714 /nfs/dbraw/zinc/15/87/14/1128158714.db2.gz RLDZSCPVTZJNLR-OAHLLOKOSA-N 0 1 295.810 3.630 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2N[C@@H](CC(F)(F)F)C(C)C ZINC000926238103 1128162783 /nfs/dbraw/zinc/16/27/83/1128162783.db2.gz VXNACTWQOGWXIZ-MNOVXSKESA-N 0 1 290.329 3.927 20 0 CHADMN CC(C)[C@H](CN[C@@H](C)c1ncco1)Cc1ccccc1 ZINC000926253562 1128163000 /nfs/dbraw/zinc/16/30/00/1128163000.db2.gz ZMHXABYGGMWKAE-HOCLYGCPSA-N 0 1 272.392 3.840 20 0 CHADMN FC(F)(CN[C@H](C1CC1)[C@H]1CCCOC1)c1ccccc1 ZINC000926260039 1128163883 /nfs/dbraw/zinc/16/38/83/1128163883.db2.gz QIRPDSANFHQFJH-GOEBONIOSA-N 0 1 295.373 3.573 20 0 CHADMN C[C@@H](NCc1ccc(C2CCC2)cc1)c1cn(C)cn1 ZINC000926278471 1128164428 /nfs/dbraw/zinc/16/44/28/1128164428.db2.gz AMBZHZHHBNHGOK-CYBMUJFWSA-N 0 1 269.392 3.538 20 0 CHADMN COc1cc(C)nc(C[N@@H+](C)C/C(C)=C/c2ccccc2)c1 ZINC000494269017 1128168806 /nfs/dbraw/zinc/16/88/06/1128168806.db2.gz UHYIGWKMQPJXEE-XNTDXEJSSA-N 0 1 296.414 3.934 20 0 CHADMN COc1cc(C)nc(CN(C)C/C(C)=C/c2ccccc2)c1 ZINC000494269017 1128168809 /nfs/dbraw/zinc/16/88/09/1128168809.db2.gz UHYIGWKMQPJXEE-XNTDXEJSSA-N 0 1 296.414 3.934 20 0 CHADMN C[C@@H](NCCCc1c[nH]c2ccc(F)cc12)c1ncco1 ZINC000926367361 1128169632 /nfs/dbraw/zinc/16/96/32/1128169632.db2.gz MSIATPJNCHNWSX-LLVKDONJSA-N 0 1 287.338 3.578 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H](C)c2ccsc2)c1 ZINC000926369063 1128170294 /nfs/dbraw/zinc/17/02/94/1128170294.db2.gz ITONANXANFHTFK-QWRGUYRKSA-N 0 1 262.378 3.564 20 0 CHADMN COc1ccnc([C@H](C)N[C@H](C)c2ccsc2)c1 ZINC000926369062 1128170397 /nfs/dbraw/zinc/17/03/97/1128170397.db2.gz ITONANXANFHTFK-MNOVXSKESA-N 0 1 262.378 3.564 20 0 CHADMN COc1ccnc([C@H](C)Nc2cc3c(cn2)CCCC3)c1 ZINC000926465760 1128173220 /nfs/dbraw/zinc/17/32/20/1128173220.db2.gz AXXPZTUFHQSPCH-LBPRGKRZSA-N 0 1 283.375 3.537 20 0 CHADMN Cc1ccoc1CN[C@H](C)c1cc2ccccc2[nH]1 ZINC000926470169 1128174029 /nfs/dbraw/zinc/17/40/29/1128174029.db2.gz HYZFWWUNENDESA-GFCCVEGCSA-N 0 1 254.333 3.920 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1CCc2cccc(C)c21 ZINC000926482703 1128174844 /nfs/dbraw/zinc/17/48/44/1128174844.db2.gz PNNZDYRRBWBDCU-MRXNPFEDSA-N 0 1 270.376 3.631 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2ccnn2CC2CCC2)cn1 ZINC000926549230 1128179945 /nfs/dbraw/zinc/17/99/45/1128179945.db2.gz GJHZNWVTDHGIRH-OAHLLOKOSA-N 0 1 298.434 3.546 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccnn1C1CCC1 ZINC000926586540 1128182633 /nfs/dbraw/zinc/18/26/33/1128182633.db2.gz CBCXXNWFKUCDJP-IACUBPJLSA-N 0 1 265.376 3.539 20 0 CHADMN Cc1cc(CN[C@H]2CCc3c2nccc3Cl)cc(C)n1 ZINC000926601175 1128183522 /nfs/dbraw/zinc/18/35/22/1128183522.db2.gz MVZXYMCRDUDRCI-HNNXBMFYSA-N 0 1 287.794 3.524 20 0 CHADMN CCc1ccc([C@H](N[C@@H]2CO[C@@H](C)C2)c2cccnc2)cc1 ZINC000926639054 1128185582 /nfs/dbraw/zinc/18/55/82/1128185582.db2.gz NOZQRDHZKGLEOR-JVPBZIDWSA-N 0 1 296.414 3.500 20 0 CHADMN CCC[C@@H](N[C@H]1C=CCC1)c1ncccc1Cl ZINC000926689950 1128187898 /nfs/dbraw/zinc/18/78/98/1128187898.db2.gz MKZXSUBCGXHHBB-WCQYABFASA-N 0 1 250.773 3.884 20 0 CHADMN Cc1ccc([C@H](N[C@@H]2C=CCC2)c2cccnc2)cc1 ZINC000926691680 1128188476 /nfs/dbraw/zinc/18/84/76/1128188476.db2.gz UQWQMBREBXAIIG-MSOLQXFVSA-N 0 1 264.372 3.788 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000926698984 1128188553 /nfs/dbraw/zinc/18/85/53/1128188553.db2.gz JVRZLGSUHQVESJ-BPUTZDHNSA-N 0 1 298.386 3.560 20 0 CHADMN CC[C@H](N[C@@H]1CCc2ccc(O)cc21)c1cccc(OC)n1 ZINC000926709033 1128189257 /nfs/dbraw/zinc/18/92/57/1128189257.db2.gz WOADTOWAEQIPGO-JKSUJKDBSA-N 0 1 298.386 3.524 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cc(O)cc(F)c2)c1C ZINC000926732707 1128190713 /nfs/dbraw/zinc/19/07/13/1128190713.db2.gz IQYVWSWHFWJBKY-LBPRGKRZSA-N 0 1 289.350 3.699 20 0 CHADMN C[C@H]1C[C@@H](NCCCCCCc2ccccc2)c2ncnn21 ZINC000926742662 1128191470 /nfs/dbraw/zinc/19/14/70/1128191470.db2.gz AWOSAODLULYDDS-DOTOQJQBSA-N 0 1 298.434 3.677 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2cnn(C3CCC3)c2)s1 ZINC000926786110 1128193978 /nfs/dbraw/zinc/19/39/78/1128193978.db2.gz LZWOLKOAVRWSSX-GHMZBOCLSA-N 0 1 290.436 3.785 20 0 CHADMN Cc1scc(CN[C@H](C)c2cccc3c2OCO3)c1C ZINC000926780891 1128194047 /nfs/dbraw/zinc/19/40/47/1128194047.db2.gz BNHFQMQELMZXIK-LLVKDONJSA-N 0 1 289.400 3.944 20 0 CHADMN C[C@H]1CC(C)(C)c2cccc(NC(=O)CCc3cnc[nH]3)c21 ZINC000928585200 1128243925 /nfs/dbraw/zinc/24/39/25/1128243925.db2.gz FZCLANOGMFDTKB-LBPRGKRZSA-N 0 1 297.402 3.766 20 0 CHADMN CCC[C@H](C)c1noc(-c2ccc(Cl)cc2O)n1 ZINC000761844789 1128245158 /nfs/dbraw/zinc/24/51/58/1128245158.db2.gz FCRAIRKMCNUMMR-QMMMGPOBSA-N 0 1 266.728 3.999 20 0 CHADMN CCc1onc(C)c1CN(CC)Cc1ccc(OC)cc1 ZINC000929287719 1128268452 /nfs/dbraw/zinc/26/84/52/1128268452.db2.gz FQBHDLPYNLCZRG-UHFFFAOYSA-N 0 1 288.391 3.576 20 0 CHADMN Cl/C=C\CN1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000914821473 1128248302 /nfs/dbraw/zinc/24/83/02/1128248302.db2.gz SSUHJPHIURZBKG-YFBARTHOSA-N 0 1 286.202 3.936 20 0 CHADMN CC1CC(N(C)Cc2cccnc2OCc2ccccc2)C1 ZINC001238768998 1131242358 /nfs/dbraw/zinc/24/23/58/1131242358.db2.gz CLKWKODEZVIFPJ-UHFFFAOYSA-N 0 1 296.414 3.891 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)CCc1ccns1 ZINC000929287182 1128268771 /nfs/dbraw/zinc/26/87/71/1128268771.db2.gz XRXASYLWHKOSDL-JTQLQIEISA-N 0 1 282.359 3.657 20 0 CHADMN COCCc1ncc(CN(C)[C@H](C)c2ccccc2)s1 ZINC000637870130 1128253152 /nfs/dbraw/zinc/25/31/52/1128253152.db2.gz BBWVQKTWRHHGDP-CYBMUJFWSA-N 0 1 290.432 3.525 20 0 CHADMN CC1(CN2CCc3c(ncn3-c3ccccc3)C2)CCCC1 ZINC000929065792 1128256603 /nfs/dbraw/zinc/25/66/03/1128256603.db2.gz VZEBBKRTANCSLE-UHFFFAOYSA-N 0 1 295.430 3.811 20 0 CHADMN Cc1ccc2c(ccc(C)c2CN2CCc3nc[nH]c3C2)c1 ZINC000929069116 1128256642 /nfs/dbraw/zinc/25/66/42/1128256642.db2.gz GMWSEARJZHOJPN-UHFFFAOYSA-N 0 1 291.398 3.738 20 0 CHADMN CCc1onc(C)c1CN(C)[C@H](C)c1ccc(OC)cc1 ZINC000929113806 1128258437 /nfs/dbraw/zinc/25/84/37/1128258437.db2.gz FCPILLCFOLPXHM-CYBMUJFWSA-N 0 1 288.391 3.747 20 0 CHADMN Cc1ccccc1NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000929125998 1128259667 /nfs/dbraw/zinc/25/96/67/1128259667.db2.gz KOFUEXUDZJMYLH-UHFFFAOYSA-N 0 1 298.386 3.826 20 0 CHADMN FC(F)(F)c1cccnc1CN1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000648761998 1128262944 /nfs/dbraw/zinc/26/29/44/1128262944.db2.gz DVNOUMYLMUNNQF-WFASDCNBSA-N 0 1 296.336 3.721 20 0 CHADMN Cc1nnsc1[C@@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000929200099 1128263790 /nfs/dbraw/zinc/26/37/90/1128263790.db2.gz DYEHWFTYBGPMPV-BXUZGUMPSA-N 0 1 275.421 3.894 20 0 CHADMN CC[C@@H](C)N(Cc1nn(C)cc1C)Cc1ccccc1 ZINC000929223015 1128264700 /nfs/dbraw/zinc/26/47/00/1128264700.db2.gz NNKCKMPQEUTMGL-OAHLLOKOSA-N 0 1 271.408 3.529 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnn(C)n1)c1cccc2ccccc21 ZINC000926877285 1128199720 /nfs/dbraw/zinc/19/97/20/1128199720.db2.gz MVVGEZSPYRHEFW-CXAGYDPISA-N 0 1 294.402 3.770 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2ccc(F)cc2C)n(C)n1 ZINC000926899667 1128200923 /nfs/dbraw/zinc/20/09/23/1128200923.db2.gz YBRPALGTZYTBFB-CHWSQXEVSA-N 0 1 275.371 3.588 20 0 CHADMN CCc1ccc2ccccc2c1CN[C@@H](C)c1nccn1C ZINC000926938448 1128203673 /nfs/dbraw/zinc/20/36/73/1128203673.db2.gz OZFLMJLFAWOZNV-AWEZNQCLSA-N 0 1 293.414 3.987 20 0 CHADMN CCCc1csc(CN[C@H]2C[C@@H](OC(C)C)C2(C)C)n1 ZINC000494842936 1128205457 /nfs/dbraw/zinc/20/54/57/1128205457.db2.gz VNXVNEVKXATVQP-UONOGXRCSA-N 0 1 296.480 3.777 20 0 CHADMN COc1ccc([C@@H](C)NCc2ncc(C)cc2C)cc1F ZINC000926955517 1128205701 /nfs/dbraw/zinc/20/57/01/1128205701.db2.gz SJJWVJFMSLQPNF-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN Cn1ccc([C@@H](NCCC2CC=CC2)c2ccc(F)cc2)n1 ZINC000926952000 1128205743 /nfs/dbraw/zinc/20/57/43/1128205743.db2.gz IRPMELCOXLNYQB-SFHVURJKSA-N 0 1 299.393 3.595 20 0 CHADMN COc1ccsc1[C@H](C)NCc1ncc(C)cc1C ZINC000926958403 1128205891 /nfs/dbraw/zinc/20/58/91/1128205891.db2.gz DKBGUQIFQQRKBT-LBPRGKRZSA-N 0 1 276.405 3.619 20 0 CHADMN Cc1cnc(CN[C@H](C)c2ccc(C(F)F)nc2)c(C)c1 ZINC000926960274 1128206087 /nfs/dbraw/zinc/20/60/87/1128206087.db2.gz NYQCUTGHERIRJU-GFCCVEGCSA-N 0 1 291.345 3.882 20 0 CHADMN CCCc1csc(CN[C@H](CC)CC(F)(F)F)n1 ZINC000494851124 1128206374 /nfs/dbraw/zinc/20/63/74/1128206374.db2.gz OKQMFDZRVFXHRI-SECBINFHSA-N 0 1 280.359 3.916 20 0 CHADMN C[C@@H](NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1cscn1 ZINC000926971993 1128206653 /nfs/dbraw/zinc/20/66/53/1128206653.db2.gz ASYDGMQFEHMJHR-MPKXVKKWSA-N 0 1 294.370 3.843 20 0 CHADMN Cc1cc([C@H]2CCCN2[C@@H](C)Cc2cccc(F)c2)no1 ZINC001168473047 1128207979 /nfs/dbraw/zinc/20/79/79/1128207979.db2.gz BXDHTBHAQJLDCO-YVEFUNNKSA-N 0 1 288.366 3.890 20 0 CHADMN C[C@@H](NC[C@@H]1CCCC2(CCC2)O1)c1cccnc1Cl ZINC000927020413 1128209106 /nfs/dbraw/zinc/20/91/06/1128209106.db2.gz VJHJSTZPDSXUDE-OLZOCXBDSA-N 0 1 294.826 3.877 20 0 CHADMN Cc1cn(C)nc1CN(Cc1ccccc1)[C@H](C)C1CC1 ZINC000929271574 1128266114 /nfs/dbraw/zinc/26/61/14/1128266114.db2.gz UCJRWDVNQZIBDN-OAHLLOKOSA-N 0 1 283.419 3.529 20 0 CHADMN c1cnc2c(c1)CCC[C@H]2N[C@@H]1CCCc2ncccc21 ZINC000927061151 1128212068 /nfs/dbraw/zinc/21/20/68/1128212068.db2.gz BWWFCOXHJUAPAK-IAGOWNOFSA-N 0 1 279.387 3.521 20 0 CHADMN COc1ccc([C@H](N[C@H](C)c2cnccn2)C2CCC2)cc1 ZINC000927065515 1128214076 /nfs/dbraw/zinc/21/40/76/1128214076.db2.gz FKRVOBYKGFPEKU-FZKQIMNGSA-N 0 1 297.402 3.677 20 0 CHADMN OCCCN(Cc1cc(Cl)cs1)Cc1ccccc1 ZINC000494945604 1128214719 /nfs/dbraw/zinc/21/47/19/1128214719.db2.gz GONXUKKIHJTNJQ-UHFFFAOYSA-N 0 1 295.835 3.786 20 0 CHADMN C[C@@H](NCc1occc1Br)C(C)(C)C ZINC000227371206 1128217740 /nfs/dbraw/zinc/21/77/40/1128217740.db2.gz CLYJVUIDFYSTNI-MRVPVSSYSA-N 0 1 260.175 3.566 20 0 CHADMN Cc1ccc([C@H](NCc2cc(C3CC3)nn2C)C2CCC2)o1 ZINC000927102605 1128218384 /nfs/dbraw/zinc/21/83/84/1128218384.db2.gz UJLQSLQNABDGSA-GOSISDBHSA-N 0 1 299.418 3.830 20 0 CHADMN CC[C@@H](NCc1cc(C2CC2)n(C)n1)c1ccc(C)cc1 ZINC000927114987 1128218955 /nfs/dbraw/zinc/21/89/55/1128218955.db2.gz XSFVNIWFXFVORA-QGZVFWFLSA-N 0 1 283.419 3.847 20 0 CHADMN CCn1ncnc1CN[C@H](c1ccccc1C)C1CCCC1 ZINC000494992210 1128222136 /nfs/dbraw/zinc/22/21/36/1128222136.db2.gz DOVMYYSZDQZRSS-SFHVURJKSA-N 0 1 298.434 3.628 20 0 CHADMN CCc1nc(C)c([C@@H](C)NCc2c(C)noc2CC)s1 ZINC000927141215 1128222277 /nfs/dbraw/zinc/22/22/77/1128222277.db2.gz VVERDLGWWHLEIC-SNVBAGLBSA-N 0 1 293.436 3.724 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cc(C)nnc2C)cc1 ZINC000929278685 1128267529 /nfs/dbraw/zinc/26/75/29/1128267529.db2.gz ZYPYRHVETHXYIT-HNNXBMFYSA-N 0 1 269.392 3.595 20 0 CHADMN CCc1ncc(CN(C)[C@@H](C)c2ccccc2C)o1 ZINC000929326692 1128269844 /nfs/dbraw/zinc/26/98/44/1128269844.db2.gz UUGJSUIOJXCPGJ-ZDUSSCGKSA-N 0 1 258.365 3.738 20 0 CHADMN CCc1ncc(CN(Cc2cccs2)C(C)C)o1 ZINC000929339715 1128269923 /nfs/dbraw/zinc/26/99/23/1128269923.db2.gz NCOYTRQYSSCFBL-UHFFFAOYSA-N 0 1 264.394 3.709 20 0 CHADMN CN(Cc1coc(C(C)(C)C)n1)C1Cc2ccccc2C1 ZINC000929336526 1128270187 /nfs/dbraw/zinc/27/01/87/1128270187.db2.gz CFZZILJJNYKDDS-UHFFFAOYSA-N 0 1 284.403 3.571 20 0 CHADMN Cc1nc(C)c(CN(C)[C@@H](C)c2ccc(C)cc2C)[nH]1 ZINC000929325619 1128270560 /nfs/dbraw/zinc/27/05/60/1128270560.db2.gz KMOPMPGEWUTDQC-AWEZNQCLSA-N 0 1 271.408 3.836 20 0 CHADMN Cc1ccc(CN(C)[C@H](C)c2ccc(F)nc2)s1 ZINC000929501775 1128275886 /nfs/dbraw/zinc/27/58/86/1128275886.db2.gz YNECMTDSNCTHED-LLVKDONJSA-N 0 1 264.369 3.784 20 0 CHADMN Cc1nnsc1[C@H](C)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000929529653 1128276799 /nfs/dbraw/zinc/27/67/99/1128276799.db2.gz KTEZDTVMLQOLEA-WCQYABFASA-N 0 1 291.395 3.536 20 0 CHADMN Cc1nnsc1[C@H](C)N1CC[C@H](c2cccc(F)c2)C1 ZINC000929529649 1128276907 /nfs/dbraw/zinc/27/69/07/1128276907.db2.gz KTEZDTVMLQOLEA-AAEUAGOBSA-N 0 1 291.395 3.536 20 0 CHADMN COc1ccccc1[C@@H]1CCCCN1Cc1[nH]c(C)nc1C ZINC000929587739 1128278285 /nfs/dbraw/zinc/27/82/85/1128278285.db2.gz SENSVJMTMHUIEA-KRWDZBQOSA-N 0 1 299.418 3.762 20 0 CHADMN CCc1cc(C[N@H+]2CCc3ccccc3[C@@H]2CC)on1 ZINC001203226186 1128279886 /nfs/dbraw/zinc/27/98/86/1128279886.db2.gz HDODZGWZNQKMAE-KRWDZBQOSA-N 0 1 270.376 3.746 20 0 CHADMN CCc1cc(CN2CCc3ccccc3[C@@H]2CC)on1 ZINC001203226186 1128279888 /nfs/dbraw/zinc/27/98/88/1128279888.db2.gz HDODZGWZNQKMAE-KRWDZBQOSA-N 0 1 270.376 3.746 20 0 CHADMN Cc1nnsc1[C@@H](C)N(C)CCc1ccc(Cl)cc1 ZINC000929639739 1128280221 /nfs/dbraw/zinc/28/02/21/1128280221.db2.gz GEUKQGSEIFWSJF-LLVKDONJSA-N 0 1 295.839 3.735 20 0 CHADMN Cc1ccc(CONC(=O)C(C)(C)c2ccccc2)cc1C ZINC000762211373 1128281453 /nfs/dbraw/zinc/28/14/53/1128281453.db2.gz OFPGIHPCGWYPOK-UHFFFAOYSA-N 0 1 297.398 3.829 20 0 CHADMN C[C@H]1SCCN(Cc2cnc(-c3ccccc3)o2)[C@@H]1C ZINC000929673324 1128281478 /nfs/dbraw/zinc/28/14/78/1128281478.db2.gz XMXHOBLPQNNHAX-CHWSQXEVSA-N 0 1 288.416 3.667 20 0 CHADMN C[C@@H](c1ncccn1)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000929716385 1128283424 /nfs/dbraw/zinc/28/34/24/1128283424.db2.gz YVFNLAKWWZSPPY-VYDXJSESSA-N 0 1 281.403 3.663 20 0 CHADMN Cc1cc(C)nc(CN2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000929847400 1128289948 /nfs/dbraw/zinc/28/99/48/1128289948.db2.gz IKEOXRMDRYFLIT-GOSISDBHSA-N 0 1 281.403 3.739 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C=C(C)c2ccccc2)c1 ZINC000777837472 1128290147 /nfs/dbraw/zinc/29/01/47/1128290147.db2.gz XRTWDQUOKQYIIC-ZRDIBKRKSA-N 0 1 295.338 3.637 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C=C2CCC(C)CC2)c1 ZINC000777835726 1128290322 /nfs/dbraw/zinc/29/03/22/1128290322.db2.gz CZZCCPBEPYTKFM-UHFFFAOYSA-N 0 1 287.359 3.670 20 0 CHADMN Fc1ccc(CNCCOC2CCC2)c(Cl)c1Cl ZINC000762448958 1128300627 /nfs/dbraw/zinc/30/06/27/1128300627.db2.gz PZRPIUYTIAAKOT-UHFFFAOYSA-N 0 1 292.181 3.791 20 0 CHADMN Cc1csc(C(C)(C)NC[C@H]2CCCC3(CCC3)O2)n1 ZINC000929989322 1128296091 /nfs/dbraw/zinc/29/60/91/1128296091.db2.gz VTTZJXAVHHDJQV-CYBMUJFWSA-N 0 1 294.464 3.768 20 0 CHADMN Cc1cccnc1[C@H](N[C@@H](C)c1ccc(F)nc1)C(C)C ZINC000929979900 1128296176 /nfs/dbraw/zinc/29/61/76/1128296176.db2.gz HSWNUPQDJRTTRA-XJKSGUPXSA-N 0 1 287.382 3.972 20 0 CHADMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1coc(C(C)(C)C)n1 ZINC000930176217 1128304757 /nfs/dbraw/zinc/30/47/57/1128304757.db2.gz WRFFSBAOVSLNKL-WCQYABFASA-N 0 1 250.386 3.735 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1coc(C(C)(C)C)n1 ZINC000930176217 1128304763 /nfs/dbraw/zinc/30/47/63/1128304763.db2.gz WRFFSBAOVSLNKL-WCQYABFASA-N 0 1 250.386 3.735 20 0 CHADMN Cc1nnsc1[C@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000930238465 1128310507 /nfs/dbraw/zinc/31/05/07/1128310507.db2.gz DWHZZAPBIOTBSS-HZMBPMFUSA-N 0 1 273.405 3.648 20 0 CHADMN CC(=O)Oc1ccc(CN(Cc2ccco2)C(C)C)cc1 ZINC000762632722 1128312340 /nfs/dbraw/zinc/31/23/40/1128312340.db2.gz IRGUHCIUYIADEV-UHFFFAOYSA-N 0 1 287.359 3.616 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1cc(C)nnc1C ZINC000930323383 1128314588 /nfs/dbraw/zinc/31/45/88/1128314588.db2.gz FJSZMYVGJLUJRE-ZDUSSCGKSA-N 0 1 287.432 3.666 20 0 CHADMN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000171681274 1128314842 /nfs/dbraw/zinc/31/48/42/1128314842.db2.gz AUGJITSYZYZQKO-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN CC[C@@H](c1ccccc1OC)N(C)Cc1cc(C)nnc1C ZINC000930491411 1128322099 /nfs/dbraw/zinc/32/20/99/1128322099.db2.gz BRNBGQUGNUOJCU-KRWDZBQOSA-N 0 1 299.418 3.685 20 0 CHADMN CC1CC(CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)C1 ZINC000930485051 1128321288 /nfs/dbraw/zinc/32/12/88/1128321288.db2.gz WJBVMABXYUHTMW-SSDMNJCBSA-N 0 1 289.423 3.910 20 0 CHADMN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1[nH]nc2ccccc21 ZINC000561658411 1128344705 /nfs/dbraw/zinc/34/47/05/1128344705.db2.gz QXOJSSBNBFYTDI-QWHCGFSZSA-N 0 1 299.418 3.850 20 0 CHADMN CC[C@@H](c1ccccc1)N(Cc1cn(CC)nn1)C(C)C ZINC000931063295 1128346226 /nfs/dbraw/zinc/34/62/26/1128346226.db2.gz FBPUWFXXLBNUBW-KRWDZBQOSA-N 0 1 286.423 3.660 20 0 CHADMN COc1cncc(CN[C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000699799460 1128347158 /nfs/dbraw/zinc/34/71/58/1128347158.db2.gz AXOFNJWIWYWUSF-MRXNPFEDSA-N 0 1 288.778 3.521 20 0 CHADMN C[C@H]1CCC[C@@H](Sc2nc(-c3ccccn3)n[nH]2)C1 ZINC000561793988 1128353877 /nfs/dbraw/zinc/35/38/77/1128353877.db2.gz MTPPWCGFZRBLEQ-WDEREUQCSA-N 0 1 274.393 3.538 20 0 CHADMN Cc1cn(C)nc1CN[C@@H](c1cccc(C)c1)C(C)C ZINC000931255454 1128354007 /nfs/dbraw/zinc/35/40/07/1128354007.db2.gz HMGIYSWJJZDOCI-QGZVFWFLSA-N 0 1 271.408 3.524 20 0 CHADMN Cc1cc(C)cc(NC(=O)[C@H](C)N(C)Cc2ccccc2)c1 ZINC000561803302 1128354342 /nfs/dbraw/zinc/35/43/42/1128354342.db2.gz ALCAKUCVRCWRJM-INIZCTEOSA-N 0 1 296.414 3.762 20 0 CHADMN C[C@@H](CN(C)[C@@H](C)c1ncccn1)C1CCCCC1 ZINC000931256497 1128354481 /nfs/dbraw/zinc/35/44/81/1128354481.db2.gz MCZLJDQNFMOMGY-KBPBESRZSA-N 0 1 261.413 3.686 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000074667321 1128355318 /nfs/dbraw/zinc/35/53/18/1128355318.db2.gz YVBBNJJPJGPQPN-UHFFFAOYSA-N 0 1 293.326 3.763 20 0 CHADMN Cc1ccc(NC(=O)c2cccc3nc[nH]c32)cc1Cl ZINC000074732455 1128355682 /nfs/dbraw/zinc/35/56/82/1128355682.db2.gz DNMMQCIEKKWQQI-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN Cc1ccnc(CN[C@@H](C)c2ccc(F)cc2C)c1 ZINC000932561603 1128414397 /nfs/dbraw/zinc/41/43/97/1128414397.db2.gz BANCNWPBTXEUBD-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN Fc1ccc([C@H]2c3[nH]cnc3CCN2CCC2CCC2)cc1 ZINC000931385268 1128359394 /nfs/dbraw/zinc/35/93/94/1128359394.db2.gz JBKGBGPYXFHAIZ-SFHVURJKSA-N 0 1 299.393 3.687 20 0 CHADMN CC[C@@H](C)CN1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931389186 1128360577 /nfs/dbraw/zinc/36/05/77/1128360577.db2.gz HMDMHLYYGVGHCI-PXAZEXFGSA-N 0 1 287.382 3.542 20 0 CHADMN c1coc(C2CCN(Cc3cnc4ccccc4c3)CC2)n1 ZINC000931443690 1128361795 /nfs/dbraw/zinc/36/17/95/1128361795.db2.gz AFCXQHBBIFFYFE-UHFFFAOYSA-N 0 1 293.370 3.602 20 0 CHADMN Clc1ccc(CN2CCC(c3ncco3)CC2)cc1 ZINC000931445701 1128361963 /nfs/dbraw/zinc/36/19/63/1128361963.db2.gz MGMAJLVPZGPHLJ-UHFFFAOYSA-N 0 1 276.767 3.708 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccccc2CF)s1 ZINC000931468700 1128363309 /nfs/dbraw/zinc/36/33/09/1128363309.db2.gz ZRQOYUGEPYCDLK-JTQLQIEISA-N 0 1 264.369 3.772 20 0 CHADMN COc1nccc(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)c1Cl ZINC001235829478 1128363727 /nfs/dbraw/zinc/36/37/27/1128363727.db2.gz FFLOOTMQVQVMLO-VXGBXAGGSA-N 0 1 282.815 3.612 20 0 CHADMN c1c2ccccc2n2c1CN([C@H]1C=CCCC1)CCC2 ZINC000561955432 1128364511 /nfs/dbraw/zinc/36/45/11/1128364511.db2.gz NHPNVRCEMVDDDK-INIZCTEOSA-N 0 1 266.388 3.956 20 0 CHADMN Cc1cc(F)ccc1CC[NH2+]Cc1cccc([O-])c1Cl ZINC000328234033 1128415197 /nfs/dbraw/zinc/41/51/97/1128415197.db2.gz PDMXNUYDRKLASR-UHFFFAOYSA-N 0 1 293.769 3.825 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc2cnccc2o1)c1ccc(F)nc1 ZINC000931565992 1128369897 /nfs/dbraw/zinc/36/98/97/1128369897.db2.gz SZMVAJXKQQBVJY-MNOVXSKESA-N 0 1 285.322 3.774 20 0 CHADMN C[C@@H](N[C@H]1CCc2c1cccc2F)c1ccc(F)nc1 ZINC000931754839 1128380320 /nfs/dbraw/zinc/38/03/20/1128380320.db2.gz MKAMWVQYICLSDG-BMIGLBTASA-N 0 1 274.314 3.698 20 0 CHADMN Cc1cc(C)nc(CN[C@H]2CCc3c2cccc3F)c1 ZINC000931756470 1128380533 /nfs/dbraw/zinc/38/05/33/1128380533.db2.gz RYGGENVEFQCAIK-KRWDZBQOSA-N 0 1 270.351 3.615 20 0 CHADMN CC1=C[C@H](C)C[C@@H](CNCc2nc(-c3ccccc3)no2)C1 ZINC000562211368 1128386894 /nfs/dbraw/zinc/38/68/94/1128386894.db2.gz LAHMBYTUICHGQH-DZGCQCFKSA-N 0 1 297.402 3.819 20 0 CHADMN Fc1cccc(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931919007 1128387076 /nfs/dbraw/zinc/38/70/76/1128387076.db2.gz SAZXINWAUYUNGO-LBPRGKRZSA-N 0 1 291.263 3.692 20 0 CHADMN Clc1ccc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)cn1 ZINC000931923224 1128387757 /nfs/dbraw/zinc/38/77/57/1128387757.db2.gz QPUIUQAPJYKLIR-WBVHZDCISA-N 0 1 284.790 3.509 20 0 CHADMN Cc1nc([C@@H]2CCN([C@@H](C)c3ccccc3Cl)C2)no1 ZINC000931951134 1128389435 /nfs/dbraw/zinc/38/94/35/1128389435.db2.gz SUGMVWSCRRLPLL-CMPLNLGQSA-N 0 1 291.782 3.582 20 0 CHADMN Cn1ccc(C2CCN(Cc3sccc3Cl)CC2)n1 ZINC000932142508 1128395622 /nfs/dbraw/zinc/39/56/22/1128395622.db2.gz RJEZSQGOFBYHGO-UHFFFAOYSA-N 0 1 295.839 3.515 20 0 CHADMN CC1(CN[C@H](c2nccs2)c2ccccc2)CC1 ZINC000562346614 1128395694 /nfs/dbraw/zinc/39/56/94/1128395694.db2.gz VCPPYKREGHTUSC-ZDUSSCGKSA-N 0 1 258.390 3.622 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ncccc1[O-] ZINC000562670282 1128417388 /nfs/dbraw/zinc/41/73/88/1128417388.db2.gz RMTALYYQLXCALQ-IJEWVQPXSA-N 0 1 282.387 3.554 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ncccc1[O-] ZINC000562670282 1128417391 /nfs/dbraw/zinc/41/73/91/1128417391.db2.gz RMTALYYQLXCALQ-IJEWVQPXSA-N 0 1 282.387 3.554 20 0 CHADMN Cc1nsc(C)c1CN(Cc1ccccc1)C1CC1 ZINC000562479242 1128404369 /nfs/dbraw/zinc/40/43/69/1128404369.db2.gz XLPAXYZFCIALFD-UHFFFAOYSA-N 0 1 272.417 3.925 20 0 CHADMN COC(C)(C)[C@H](C)NCc1csc(C2CCCC2)n1 ZINC000932368945 1128406245 /nfs/dbraw/zinc/40/62/45/1128406245.db2.gz IMLJMKSXFKPZNF-NSHDSACASA-N 0 1 282.453 3.704 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1Cl ZINC000328190081 1128408484 /nfs/dbraw/zinc/40/84/84/1128408484.db2.gz CTOLHKOIMUUZIX-WCQYABFASA-N 0 1 265.784 3.810 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1Cl ZINC000328190081 1128408485 /nfs/dbraw/zinc/40/84/85/1128408485.db2.gz CTOLHKOIMUUZIX-WCQYABFASA-N 0 1 265.784 3.810 20 0 CHADMN C[C@@H](C(=O)Nc1ccccc1)N1Cc2ccccc2[C@H](C)C1 ZINC000916151249 1128409687 /nfs/dbraw/zinc/40/96/87/1128409687.db2.gz CYAHVPACOORCDX-CABCVRRESA-N 0 1 294.398 3.633 20 0 CHADMN CC(C)CN(Cc1ccccn1)Cc1cccc(Cl)n1 ZINC000932447151 1128409808 /nfs/dbraw/zinc/40/98/08/1128409808.db2.gz WZZWDDZYNHZSRD-UHFFFAOYSA-N 0 1 289.810 3.788 20 0 CHADMN COc1ccc(CN2Cc3ccccc3[C@H](C)C2)cc1F ZINC000916151159 1128410256 /nfs/dbraw/zinc/41/02/56/1128410256.db2.gz ASPPLZMYZPPFKE-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN CCc1onc(C)c1CN(Cc1ccccn1)CC(C)C ZINC000932446009 1128410368 /nfs/dbraw/zinc/41/03/68/1128410368.db2.gz FZHQUISMOYIXGU-UHFFFAOYSA-N 0 1 287.407 3.599 20 0 CHADMN Cc1ccc(CN(Cc2ccccn2)CC(C)C)c(C)n1 ZINC000932450188 1128411126 /nfs/dbraw/zinc/41/11/26/1128411126.db2.gz XIJZISJDNUMPPI-UHFFFAOYSA-N 0 1 283.419 3.752 20 0 CHADMN Cc1ccccc1[C@H]1CN(C[C@H]2CCCC2(F)F)CCO1 ZINC000562697669 1128418259 /nfs/dbraw/zinc/41/82/59/1128418259.db2.gz LQBTXBWNZUWIFU-GDBMZVCRSA-N 0 1 295.373 3.804 20 0 CHADMN C[C@H]1CC[C@H](C)[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328276852 1128420190 /nfs/dbraw/zinc/42/01/90/1128420190.db2.gz XZYJPDYOLJVTPC-QWRGUYRKSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@H]1CC[C@H](C)[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328276852 1128420191 /nfs/dbraw/zinc/42/01/91/1128420191.db2.gz XZYJPDYOLJVTPC-QWRGUYRKSA-N 0 1 253.773 3.666 20 0 CHADMN Oc1ccccc1-c1n[nH]c(SC2CC3(CCC3)C2)n1 ZINC000916493675 1128421806 /nfs/dbraw/zinc/42/18/06/1128421806.db2.gz MHXSOJRULXQFRI-UHFFFAOYSA-N 0 1 287.388 3.602 20 0 CHADMN C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(Cl)s1 ZINC000124328327 1128443475 /nfs/dbraw/zinc/44/34/75/1128443475.db2.gz FEIQJSOGEOWQSV-NWDGAFQWSA-N 0 1 287.856 3.917 20 0 CHADMN CC[C@@H](C)[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC001257445750 1128423414 /nfs/dbraw/zinc/42/34/14/1128423414.db2.gz DRHRLMLMXFZCOD-SNVBAGLBSA-N 0 1 257.299 3.862 20 0 CHADMN COc1cccc(CN(C)Cc2ccc(C(C)C)cc2)n1 ZINC000496870489 1128424353 /nfs/dbraw/zinc/42/43/53/1128424353.db2.gz XXGJAOCOVFBMFW-UHFFFAOYSA-N 0 1 284.403 3.846 20 0 CHADMN CC[C@H](C)N1Cc2ccc(Br)cc2C[C@H]1C ZINC001257447444 1128425302 /nfs/dbraw/zinc/42/53/02/1128425302.db2.gz GEARTQYCLDKUKP-WDEREUQCSA-N 0 1 282.225 3.994 20 0 CHADMN CC[C@H](C)N1CCc2c(cccc2C(F)(F)F)C1 ZINC001257447280 1128425358 /nfs/dbraw/zinc/42/53/58/1128425358.db2.gz YLCBYWDCKRCXGZ-JTQLQIEISA-N 0 1 257.299 3.862 20 0 CHADMN C[C@@H]([NH2+]Cc1cccc([O-])c1Cl)C1CCCC1 ZINC000328338575 1128427442 /nfs/dbraw/zinc/42/74/42/1128427442.db2.gz KUABUZAQPNHHLU-SNVBAGLBSA-N 0 1 253.773 3.714 20 0 CHADMN Cc1ccc2nc(SC[C@H]3CCCC[C@H]3O)[nH]c2c1 ZINC000328532691 1128432822 /nfs/dbraw/zinc/43/28/22/1128432822.db2.gz YMUNNUBNNJUHQD-BXUZGUMPSA-N 0 1 276.405 3.515 20 0 CHADMN Cc1cc(C)c(CN[C@@]2(C)CCOc3ccccc32)c(C)n1 ZINC000933369519 1128433787 /nfs/dbraw/zinc/43/37/87/1128433787.db2.gz KLUPYOHCVPMVSF-IBGZPJMESA-N 0 1 296.414 3.794 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccc(C)n2)cc1C ZINC000933484121 1128436133 /nfs/dbraw/zinc/43/61/33/1128436133.db2.gz ZVUJIWGPDGQQCF-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN Fc1cncc(CN[C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000778177216 1128436937 /nfs/dbraw/zinc/43/69/37/1128436937.db2.gz QREAAZXROSOLMU-INIZCTEOSA-N 0 1 298.361 3.757 20 0 CHADMN COC(OC)c1ccccc1-c1c(F)cc(F)c(O)c1F ZINC001235993166 1128437433 /nfs/dbraw/zinc/43/74/33/1128437433.db2.gz DULZPXWQHHLYTB-UHFFFAOYSA-N 0 1 298.260 3.768 20 0 CHADMN Cc1ccc(C(=O)CCN(C)Cc2ccsc2)cc1 ZINC000053935297 1128437810 /nfs/dbraw/zinc/43/78/10/1128437810.db2.gz OAQJEBPYVXDYDP-UHFFFAOYSA-N 0 1 273.401 3.761 20 0 CHADMN CN(Cc1csc(-c2ccccn2)n1)C1CCCCC1 ZINC000124157367 1128442174 /nfs/dbraw/zinc/44/21/74/1128442174.db2.gz DKMPEDKIROQLAZ-UHFFFAOYSA-N 0 1 287.432 3.970 20 0 CHADMN CCC[C@](C)(NCc1ocnc1C)c1ccccc1 ZINC000934179313 1128453106 /nfs/dbraw/zinc/45/31/06/1128453106.db2.gz FJQPXUJFUUADCB-INIZCTEOSA-N 0 1 258.365 3.788 20 0 CHADMN CCC[C@@](C)(NCc1conc1C)c1ccccc1 ZINC000934179594 1128453229 /nfs/dbraw/zinc/45/32/29/1128453229.db2.gz HLYZPSLSBTWENR-MRXNPFEDSA-N 0 1 258.365 3.788 20 0 CHADMN Cc1cc(-c2c(F)cc(F)c(O)c2F)ccc1F ZINC001235997416 1128449795 /nfs/dbraw/zinc/44/97/95/1128449795.db2.gz DKDXNMYFFFOPIT-UHFFFAOYSA-N 0 1 256.198 3.924 20 0 CHADMN CC[C@H](C(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000065006328 1128455561 /nfs/dbraw/zinc/45/55/61/1128455561.db2.gz HOOIUGORTJQIHQ-AWEZNQCLSA-N 0 1 279.343 3.695 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Oc1ccccc1 ZINC000916852734 1128459491 /nfs/dbraw/zinc/45/94/91/1128459491.db2.gz XZDFKZGKYXMXQS-UHFFFAOYSA-N 0 1 278.311 3.604 20 0 CHADMN Cc1ccc(C(C)C)c(OC(=O)c2[nH]nc3c2CCCC3)c1 ZINC000916852942 1128459609 /nfs/dbraw/zinc/45/96/09/1128459609.db2.gz BQJJYBKANXNORR-UHFFFAOYSA-N 0 1 298.386 3.940 20 0 CHADMN CCCCc1nc(CN[C@H]2CCOC23CCCC3)cs1 ZINC000934392111 1128459865 /nfs/dbraw/zinc/45/98/65/1128459865.db2.gz ABFRDZAICLFRJS-AWEZNQCLSA-N 0 1 294.464 3.677 20 0 CHADMN COc1cc([C@H](C)NCc2n[nH]cc2C)cc2ccccc21 ZINC000934630311 1128465039 /nfs/dbraw/zinc/46/50/39/1128465039.db2.gz LMHUEBQNRCECIQ-ZDUSSCGKSA-N 0 1 295.386 3.731 20 0 CHADMN COc1ccc(C)cc1CN[C@H](c1ccncc1)C1CC1 ZINC000934689607 1128466755 /nfs/dbraw/zinc/46/67/55/1128466755.db2.gz PPEAALBHQXXFKV-SFHVURJKSA-N 0 1 282.387 3.640 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccncc2)C2CC2)c(Cl)n1 ZINC000934701139 1128467228 /nfs/dbraw/zinc/46/72/28/1128467228.db2.gz KYSURHMDHXCHSC-OAHLLOKOSA-N 0 1 287.794 3.679 20 0 CHADMN Cc1ccc(CN[C@H](c2ccncc2)C2CC2)nc1Cl ZINC000934701514 1128467248 /nfs/dbraw/zinc/46/72/48/1128467248.db2.gz RFUOWPXLBDLRGJ-HNNXBMFYSA-N 0 1 287.794 3.679 20 0 CHADMN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1n[nH]c2ccccc21 ZINC000497324520 1128471860 /nfs/dbraw/zinc/47/18/60/1128471860.db2.gz LCMXDXAHCGJSTD-MELADBBJSA-N 0 1 297.402 3.652 20 0 CHADMN Cc1cccc(CN(C)C[C@@H]2CC2(Cl)Cl)c1 ZINC000917073719 1128473846 /nfs/dbraw/zinc/47/38/46/1128473846.db2.gz SLHIRLGWGGGECP-LBPRGKRZSA-N 0 1 258.192 3.621 20 0 CHADMN CCCCN(C)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000066608383 1128475415 /nfs/dbraw/zinc/47/54/15/1128475415.db2.gz OJZVAMSADXHYJJ-GFCCVEGCSA-N 0 1 291.370 3.977 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000127322405 1128475526 /nfs/dbraw/zinc/47/55/26/1128475526.db2.gz PQDIRYPFLIGVPK-OLZOCXBDSA-N 0 1 299.418 3.764 20 0 CHADMN Cc1nc(CN(C)C2CCC(C)(C)CC2)oc1C ZINC000127565614 1128480020 /nfs/dbraw/zinc/48/00/20/1128480020.db2.gz BMRFZYIJLDOLMU-UHFFFAOYSA-N 0 1 250.386 3.692 20 0 CHADMN CC(C)c1nnc(CN(C)C2CCC(C)(C)CC2)o1 ZINC000127594141 1128480123 /nfs/dbraw/zinc/48/01/23/1128480123.db2.gz ICCJPLOKRPLXTQ-UHFFFAOYSA-N 0 1 265.401 3.594 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000563816861 1128481047 /nfs/dbraw/zinc/48/10/47/1128481047.db2.gz ROLORDDVORJCQC-KBPBESRZSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C[C@@H]3CCCC3(F)F)ccc12 ZINC000935196032 1128482475 /nfs/dbraw/zinc/48/24/75/1128482475.db2.gz CCPDXVVYENISIX-JTQLQIEISA-N 0 1 293.317 3.635 20 0 CHADMN CCN(Cc1nc(CCC(C)C)no1)[C@@H](C)C(C)C ZINC000067661135 1128486309 /nfs/dbraw/zinc/48/63/09/1128486309.db2.gz ODHZMAWLEQMTJL-ZDUSSCGKSA-N 0 1 267.417 3.525 20 0 CHADMN C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCSCC1 ZINC000067457238 1128484358 /nfs/dbraw/zinc/48/43/58/1128484358.db2.gz QNDOEEOZDRUGEG-JTQLQIEISA-N 0 1 291.338 3.695 20 0 CHADMN CC(C)(C)OCCSc1nc(-c2ccccc2F)n[nH]1 ZINC000067651416 1128486386 /nfs/dbraw/zinc/48/63/86/1128486386.db2.gz VKEQCRJMBVAFKR-UHFFFAOYSA-N 0 1 295.383 3.518 20 0 CHADMN Cc1c2ccccc2oc1CN[C@@H](C)c1cncnc1C ZINC000563974854 1128487605 /nfs/dbraw/zinc/48/76/05/1128487605.db2.gz ALLSSHFNQYENCV-LBPRGKRZSA-N 0 1 281.359 3.690 20 0 CHADMN c1ccc2c(CN[C@@H]3CCCNc4ccccc43)noc2c1 ZINC000563975997 1128487912 /nfs/dbraw/zinc/48/79/12/1128487912.db2.gz LOLVYOVQZORVLN-MRXNPFEDSA-N 0 1 293.370 3.864 20 0 CHADMN Cc1cc(CN2C[C@H](C)OC3(CCC3)C2)c(C)s1 ZINC000564208608 1128497885 /nfs/dbraw/zinc/49/78/85/1128497885.db2.gz MHNTYKPCWZCDPH-NSHDSACASA-N 0 1 265.422 3.508 20 0 CHADMN CCC[C@H](C)CC[C@@H](C)N1CC(N2CCC(F)(F)C2)C1 ZINC001257482528 1128498839 /nfs/dbraw/zinc/49/88/39/1128498839.db2.gz RUVSDVIVZHNVSH-UONOGXRCSA-N 0 1 288.426 3.617 20 0 CHADMN C[C@@H]1CSCCN1Cc1ccc(-c2ccccc2)o1 ZINC000539833247 1128509964 /nfs/dbraw/zinc/50/99/64/1128509964.db2.gz SJZLIFNNRGALLK-CYBMUJFWSA-N 0 1 273.401 3.884 20 0 CHADMN CCc1ccc([C@H](C)NC[C@@H](O)c2c(F)cccc2F)o1 ZINC000090078640 1128510991 /nfs/dbraw/zinc/51/09/91/1128510991.db2.gz RWYIKRRQGDCIEL-IINYFYTJSA-N 0 1 295.329 3.504 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3cscc3C(F)(F)F)C[C@@H]21 ZINC000564530208 1128510998 /nfs/dbraw/zinc/51/09/98/1128510998.db2.gz XKLPDOWYSGJYEH-AOOOYVTPSA-N 0 1 275.339 3.855 20 0 CHADMN Cc1cccc(OCCN(C)Cc2ccc(Cl)cn2)c1 ZINC000564552173 1128512013 /nfs/dbraw/zinc/51/20/13/1128512013.db2.gz BHXVTTXMJCFJQV-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN CC(C)[C@@H]1CCN(Cc2cc(F)c(F)cc2F)C1 ZINC000539912143 1128512221 /nfs/dbraw/zinc/51/22/21/1128512221.db2.gz QECSDUCDUBDMKH-SNVBAGLBSA-N 0 1 257.299 3.582 20 0 CHADMN CCc1noc(C)c1CNCc1cc2c(ccc(C)c2C)[nH]1 ZINC000564669989 1128513382 /nfs/dbraw/zinc/51/33/82/1128513382.db2.gz FXESTYHHSQQWOM-UHFFFAOYSA-N 0 1 297.402 3.933 20 0 CHADMN C[C@H](NCc1ccccc1N(C)C)c1cnn(C2CCC2)c1 ZINC000925441908 1128515811 /nfs/dbraw/zinc/51/58/11/1128515811.db2.gz FFAPMHUOPJAHKF-AWEZNQCLSA-N 0 1 298.434 3.525 20 0 CHADMN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(C)(C)C ZINC000564928727 1128516917 /nfs/dbraw/zinc/51/69/17/1128516917.db2.gz HKXQMLHYVWXLRO-UHFFFAOYSA-N 0 1 289.206 3.662 20 0 CHADMN CC(C)N1CCC[C@H]1c1nc(-c2ccccc2Cl)no1 ZINC000923758277 1128518824 /nfs/dbraw/zinc/51/88/24/1128518824.db2.gz HRAKXLLQTLMQQR-ZDUSSCGKSA-N 0 1 291.782 3.935 20 0 CHADMN Cc1ccccc1[C@H]1CCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000565101595 1128519175 /nfs/dbraw/zinc/51/91/75/1128519175.db2.gz QFWYHNNRKUSELM-OAHLLOKOSA-N 0 1 285.343 3.623 20 0 CHADMN O=C([O-])[C@@H](c1ccsc1)[N@H+]1CCCC2(CCCCC2)C1 ZINC000565101846 1128519742 /nfs/dbraw/zinc/51/97/42/1128519742.db2.gz YWFLIOOUGBUBPA-CQSZACIVSA-N 0 1 293.432 3.920 20 0 CHADMN O=C([O-])C[N@H+](CCc1ccccc1)CCC1=CCCCC1 ZINC000565107793 1128519797 /nfs/dbraw/zinc/51/97/97/1128519797.db2.gz WSXHAPXAKUWNJG-UHFFFAOYSA-N 0 1 287.403 3.506 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000565112079 1128520022 /nfs/dbraw/zinc/52/00/22/1128520022.db2.gz GXUOSZMBOVPGIJ-XFJVYGCCSA-N 0 1 295.810 3.834 20 0 CHADMN O=C([O-])CCC[N@H+](Cc1ccccc1)CC1CCCC1 ZINC000565111063 1128520109 /nfs/dbraw/zinc/52/01/09/1128520109.db2.gz IEAKPOVEDTZUKF-UHFFFAOYSA-N 0 1 275.392 3.544 20 0 CHADMN Cc1oc([C@@H](C)[N@H+]2CC[C@@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000565102428 1128520204 /nfs/dbraw/zinc/52/02/04/1128520204.db2.gz HZHGUVZZVKQTJB-IUODEOHRSA-N 0 1 299.370 3.837 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000565256223 1128522824 /nfs/dbraw/zinc/52/28/24/1128522824.db2.gz XBFBUUMMHSNFQO-HOTGVXAUSA-N 0 1 287.403 3.509 20 0 CHADMN CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000565250790 1128523217 /nfs/dbraw/zinc/52/32/17/1128523217.db2.gz PYNSTCXEYUEPAO-ZDUSSCGKSA-N 0 1 293.382 3.925 20 0 CHADMN Cc1ccccc1-c1noc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000923758474 1128524355 /nfs/dbraw/zinc/52/43/55/1128524355.db2.gz YVQCNLHLKJSPPL-CQSZACIVSA-N 0 1 271.364 3.590 20 0 CHADMN Cc1ccccc1-c1noc([C@H]2CCCN2C(C)C)n1 ZINC000923758474 1128524358 /nfs/dbraw/zinc/52/43/58/1128524358.db2.gz YVQCNLHLKJSPPL-CQSZACIVSA-N 0 1 271.364 3.590 20 0 CHADMN C[C@H]1CC[C@@]2(CCN(Cc3ccc(Cl)cn3)C2)C1 ZINC000565560929 1128528103 /nfs/dbraw/zinc/52/81/03/1128528103.db2.gz ZHURYDBNJFKHJN-SWLSCSKDSA-N 0 1 264.800 3.747 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000565721174 1128531513 /nfs/dbraw/zinc/53/15/13/1128531513.db2.gz MQRWXKXGRNOXSV-HNNXBMFYSA-N 0 1 275.392 3.582 20 0 CHADMN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)(C)C ZINC000565773035 1128531774 /nfs/dbraw/zinc/53/17/74/1128531774.db2.gz QSEMQYJBSOHPQT-UHFFFAOYSA-N 0 1 279.771 3.620 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N(C)CC1CCCC1 ZINC000069227532 1128536188 /nfs/dbraw/zinc/53/61/88/1128536188.db2.gz PZEYVNYRKUQJFY-NSHDSACASA-N 0 1 265.401 3.550 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2cccc(Cl)c2Cl)n1 ZINC000041123757 1128536342 /nfs/dbraw/zinc/53/63/42/1128536342.db2.gz BDODNMLWDHZANL-JTQLQIEISA-N 0 1 286.162 3.699 20 0 CHADMN CCCCC[C@@H](C)N(C)CC(=O)OCc1ccccc1 ZINC001257519257 1128537729 /nfs/dbraw/zinc/53/77/29/1128537729.db2.gz FNDHAHNSOLDMAH-OAHLLOKOSA-N 0 1 277.408 3.630 20 0 CHADMN Fc1ccc(C2(NCc3ccc4c(c3)COC4)CC2)cc1 ZINC000763429263 1128560367 /nfs/dbraw/zinc/56/03/67/1128560367.db2.gz CWEAXTSCLHKWDI-UHFFFAOYSA-N 0 1 283.346 3.635 20 0 CHADMN Cc1nnsc1CN1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000566303588 1128541722 /nfs/dbraw/zinc/54/17/22/1128541722.db2.gz IFVIQVORZPMZOO-WFASDCNBSA-N 0 1 287.432 3.820 20 0 CHADMN CC(C)CC[N@@H+](CC[C@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000566359053 1128542391 /nfs/dbraw/zinc/54/23/91/1128542391.db2.gz DMYBBTIHBLYBDV-KRWDZBQOSA-N 0 1 289.419 3.755 20 0 CHADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000566363649 1128542481 /nfs/dbraw/zinc/54/24/81/1128542481.db2.gz QSPZSUHHDGQNOD-YOEHRIQHSA-N 0 1 289.419 3.828 20 0 CHADMN C[C@@H]1C[C@@H](CCNc2noc3ccc(Cl)cc32)CCO1 ZINC000566396628 1128543283 /nfs/dbraw/zinc/54/32/83/1128543283.db2.gz MGUOTXHVLYBMLQ-MNOVXSKESA-N 0 1 294.782 3.520 20 0 CHADMN CC(C)N1CCC[C@@H]1c1nc(CC2CCCCC2)no1 ZINC000923865389 1128544048 /nfs/dbraw/zinc/54/40/48/1128544048.db2.gz RUUOCNVKCYVYSB-CQSZACIVSA-N 0 1 277.412 3.738 20 0 CHADMN Cc1nc(CN[C@@H](c2ccc(C)cc2)C2CC2)[nH]c1C ZINC000566499513 1128545475 /nfs/dbraw/zinc/54/54/75/1128545475.db2.gz WPIULYQBMKKYPU-KRWDZBQOSA-N 0 1 269.392 3.576 20 0 CHADMN Cc1ccc(Cl)cc1N(C)C(=O)c1cccc2c[nH]nc21 ZINC000566522615 1128545499 /nfs/dbraw/zinc/54/54/99/1128545499.db2.gz TZIBDPMHAHHQRL-UHFFFAOYSA-N 0 1 299.761 3.801 20 0 CHADMN N#CC(C(=O)c1cc2c(cccc2F)s1)c1ccccn1 ZINC000041493738 1128545558 /nfs/dbraw/zinc/54/55/58/1128545558.db2.gz BDLIFLNUNLZBDA-LLVKDONJSA-N 0 1 296.326 3.925 20 0 CHADMN O=C(OCc1ccccc1Cl)c1cccc2[nH]ncc21 ZINC000918488103 1128546725 /nfs/dbraw/zinc/54/67/25/1128546725.db2.gz CJLPJBNYKVNDBG-UHFFFAOYSA-N 0 1 286.718 3.573 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1nc(C(C)(C)C)cs1 ZINC000566776783 1128551008 /nfs/dbraw/zinc/55/10/08/1128551008.db2.gz LMCURKWEQOZCNU-SNVBAGLBSA-N 0 1 252.427 3.671 20 0 CHADMN COc1cc(OC)cc(-c2nc3cccc(C)c3[nH]2)c1 ZINC000070270059 1128561174 /nfs/dbraw/zinc/56/11/74/1128561174.db2.gz YAVDQZXZIYKVDR-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN Cc1cc(CN[C@H]2COc3ccc(C)cc32)cs1 ZINC000556149666 1128555418 /nfs/dbraw/zinc/55/54/18/1128555418.db2.gz SCRDYZGTXZILMX-AWEZNQCLSA-N 0 1 259.374 3.588 20 0 CHADMN Cc1cccc([C@H](C)[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000567087441 1128557507 /nfs/dbraw/zinc/55/75/07/1128557507.db2.gz WGQSHQYSBKYZFL-BBRMVZONSA-N 0 1 289.810 3.853 20 0 CHADMN C[C@H]1CN(Cc2ccc3c(n2)CCC3)[C@@H]1c1ccccc1 ZINC000567447718 1128565059 /nfs/dbraw/zinc/56/50/59/1128565059.db2.gz FHQJOUZZDHLATN-LIRRHRJNSA-N 0 1 278.399 3.763 20 0 CHADMN CN(CCCCC(F)(F)F)Cc1cc(C(C)(C)C)n[nH]1 ZINC000567676659 1128569442 /nfs/dbraw/zinc/56/94/42/1128569442.db2.gz ILVFKKKQXBEGKZ-UHFFFAOYSA-N 0 1 291.361 3.872 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@H]1NCc1nnc(C2CC2)o1 ZINC000567666186 1128569650 /nfs/dbraw/zinc/56/96/50/1128569650.db2.gz JBZQXBRPQVADGE-GXTWGEPZSA-N 0 1 277.412 3.642 20 0 CHADMN CC(C)C[C@H]1CCCN1Cc1nc(-c2cccs2)no1 ZINC000130249131 1128574495 /nfs/dbraw/zinc/57/44/95/1128574495.db2.gz WSSUQTHHADMWPJ-GFCCVEGCSA-N 0 1 291.420 3.809 20 0 CHADMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000568288668 1128581775 /nfs/dbraw/zinc/58/17/75/1128581775.db2.gz HDVLVULGMZZEBA-VXGBXAGGSA-N 0 1 293.382 3.923 20 0 CHADMN C[C@H](Cc1ccsc1)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000570009675 1128614516 /nfs/dbraw/zinc/61/45/16/1128614516.db2.gz NSKNEPRFPXXJFV-GFCCVEGCSA-N 0 1 291.464 3.832 20 0 CHADMN CC[C@@H](c1ccccc1OC)N(C)Cc1cccc(O)c1 ZINC000568448350 1128585478 /nfs/dbraw/zinc/58/54/78/1128585478.db2.gz IBXHIMKNZQHLAG-KRWDZBQOSA-N 0 1 285.387 3.984 20 0 CHADMN CC(C)c1nnc(-c2ccccc2NC(=O)C2=CCCC2)[nH]1 ZINC000130530297 1128585842 /nfs/dbraw/zinc/58/58/42/1128585842.db2.gz VIECVYYQXQYEPT-UHFFFAOYSA-N 0 1 296.374 3.644 20 0 CHADMN COc1ccc2oc(CN3CCCc4occc4C3)cc2c1 ZINC000568565458 1128587435 /nfs/dbraw/zinc/58/74/35/1128587435.db2.gz VJDNKMZKSQXCNJ-UHFFFAOYSA-N 0 1 297.354 3.983 20 0 CHADMN CCc1cnc(CN[C@@H]2CCCc3ccccc32)s1 ZINC000130615046 1128589940 /nfs/dbraw/zinc/58/99/40/1128589940.db2.gz XHEZEBGIGBFIOI-OAHLLOKOSA-N 0 1 272.417 3.873 20 0 CHADMN C[C@@H]1C[C@@H](CN2CCc3sc(Cl)cc3C2)CCO1 ZINC000568979679 1128595107 /nfs/dbraw/zinc/59/51/07/1128595107.db2.gz NBMAYMLGBIVQAQ-MNOVXSKESA-N 0 1 285.840 3.575 20 0 CHADMN Cc1cccc(CN2CCO[C@@H](c3ccccc3)C2)c1 ZINC000071852550 1128600482 /nfs/dbraw/zinc/60/04/82/1128600482.db2.gz TWXXPCSKPAIPPI-GOSISDBHSA-N 0 1 267.372 3.569 20 0 CHADMN Cc1cccc(CNCc2ccc(Cl)c3cccnc23)n1 ZINC000130879291 1128600606 /nfs/dbraw/zinc/60/06/06/1128600606.db2.gz RRILSFIGDPQDJW-UHFFFAOYSA-N 0 1 297.789 3.881 20 0 CHADMN CC(=O)c1cc(CN2CC[C@H](c3ccccc3)C2(C)C)on1 ZINC000570105185 1128615984 /nfs/dbraw/zinc/61/59/84/1128615984.db2.gz WZELZPBAAZTNSR-MRXNPFEDSA-N 0 1 298.386 3.645 20 0 CHADMN CC(C)C(CN(C)Cc1nccn1C(F)F)C(C)C ZINC000556598782 1128608896 /nfs/dbraw/zinc/60/88/96/1128608896.db2.gz UNGUGUFVZOCGJE-UHFFFAOYSA-N 0 1 273.371 3.638 20 0 CHADMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1c(Cl)cccc1C(=O)[O-] ZINC000569856935 1128610560 /nfs/dbraw/zinc/61/05/60/1128610560.db2.gz MGDKAZBDYVDFLF-QWRGUYRKSA-N 0 1 281.783 3.659 20 0 CHADMN CC[C@H](NCc1cccc(C)c1)c1ccc(F)cn1 ZINC000131238477 1128610661 /nfs/dbraw/zinc/61/06/61/1128610661.db2.gz SVOFKMGAHQFKMD-HNNXBMFYSA-N 0 1 258.340 3.770 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3ccc(Cl)cc32)n(C)n1 ZINC000569948669 1128612586 /nfs/dbraw/zinc/61/25/86/1128612586.db2.gz XBFXARPGSBIGQX-INIZCTEOSA-N 0 1 289.810 3.549 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000570220444 1128618347 /nfs/dbraw/zinc/61/83/47/1128618347.db2.gz RVEMJTAGHLNQAW-CYBMUJFWSA-N 0 1 285.334 3.555 20 0 CHADMN COc1ccc(Cl)c(CN2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000570222453 1128618461 /nfs/dbraw/zinc/61/84/61/1128618461.db2.gz PZSPSYSPUGWSFK-PHIMTYICSA-N 0 1 285.840 3.674 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000570220445 1128618726 /nfs/dbraw/zinc/61/87/26/1128618726.db2.gz RVEMJTAGHLNQAW-ZDUSSCGKSA-N 0 1 285.334 3.555 20 0 CHADMN CCN(Cc1cnccn1)[C@H](C)c1cc2ccccc2o1 ZINC000556773494 1128621076 /nfs/dbraw/zinc/62/10/76/1128621076.db2.gz YATMBPVKGGNVHU-CYBMUJFWSA-N 0 1 281.359 3.806 20 0 CHADMN Cc1nnsc1CN1CCC(c2ccccc2C)CC1 ZINC000570454588 1128624469 /nfs/dbraw/zinc/62/44/69/1128624469.db2.gz GUGYAYGIAKIRBU-UHFFFAOYSA-N 0 1 287.432 3.535 20 0 CHADMN COc1ccc(-c2n[nH]c(SCC=C(C)C)n2)cc1 ZINC000570647429 1128628957 /nfs/dbraw/zinc/62/89/57/1128628957.db2.gz IOUJTEBDUZOZCH-UHFFFAOYSA-N 0 1 275.377 3.539 20 0 CHADMN Cc1noc([C@H](C)N(C)[C@@H]2CC[C@](C)(c3ccccc3)C2)n1 ZINC000570696618 1128629713 /nfs/dbraw/zinc/62/97/13/1128629713.db2.gz PRSBCOXYIVYVOM-XCRHUMRWSA-N 0 1 299.418 3.881 20 0 CHADMN CC1=CC[C@H](N[C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000556845878 1128629748 /nfs/dbraw/zinc/62/97/48/1128629748.db2.gz BERDQWWFJNPXBV-RYUDHWBXSA-N 0 1 263.385 3.517 20 0 CHADMN CC/C=C\CC[N@H+](Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000570689174 1128629811 /nfs/dbraw/zinc/62/98/11/1128629811.db2.gz JCSJMYCCUXDLQA-FOSCPCJNSA-N 0 1 275.392 3.566 20 0 CHADMN CCO[C@H](C)c1nc(CN[C@@H]2CCC2(C)C)cs1 ZINC000570694234 1128630018 /nfs/dbraw/zinc/63/00/18/1128630018.db2.gz KNAQZWHEXLZRFQ-ZYHUDNBSSA-N 0 1 268.426 3.519 20 0 CHADMN C[C@@H]1c2c(F)cccc2CCN1Cc1cccc2c[nH]nc21 ZINC000570992581 1128636173 /nfs/dbraw/zinc/63/61/73/1128636173.db2.gz OTYCCNFMZPZREH-GFCCVEGCSA-N 0 1 295.361 3.821 20 0 CHADMN CC(C)[C@@H]1CC[C@@H]1NCc1c(F)cc(F)c(F)c1F ZINC000556876783 1128631918 /nfs/dbraw/zinc/63/19/18/1128631918.db2.gz QXEPTUOZTHMFGP-UFBFGSQYSA-N 0 1 275.289 3.767 20 0 CHADMN FC(F)CC1CN(Cc2ccc(C(F)F)cc2)C1 ZINC000570795866 1128631980 /nfs/dbraw/zinc/63/19/80/1128631980.db2.gz WNZXVGOOZJAMJL-UHFFFAOYSA-N 0 1 261.262 3.711 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc(C)ccn2)c(C)c1 ZINC000556884449 1128633635 /nfs/dbraw/zinc/63/36/35/1128633635.db2.gz DDDWHHJKRIHQOS-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CCc1nc([C@H](C)Sc2nc3ccc(F)cc3o2)n[nH]1 ZINC000919854214 1128640199 /nfs/dbraw/zinc/64/01/99/1128640199.db2.gz UXBVQGSBUXNKBO-ZETCQYMHSA-N 0 1 292.339 3.501 20 0 CHADMN CC(C)[C@H]1CCCC[N@H+]1Cc1cc(C(C)(C)C)on1 ZINC000572206915 1128643309 /nfs/dbraw/zinc/64/33/09/1128643309.db2.gz KFQQSSHYRSPKPX-CQSZACIVSA-N 0 1 264.413 3.983 20 0 CHADMN CC(C)[C@H]1CCCCN1Cc1cc(C(C)(C)C)on1 ZINC000572206915 1128643310 /nfs/dbraw/zinc/64/33/10/1128643310.db2.gz KFQQSSHYRSPKPX-CQSZACIVSA-N 0 1 264.413 3.983 20 0 CHADMN Cc1cc(F)ccc1C[N@@H+](C)Cc1csc(C(=O)[O-])c1 ZINC000572250023 1128643713 /nfs/dbraw/zinc/64/37/13/1128643713.db2.gz CJRVSILEXXMUIK-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN CCc1ccc([C@@H]2CCC[N@H+](Cc3ncccc3[O-])C2)cc1 ZINC000572505932 1128645098 /nfs/dbraw/zinc/64/50/98/1128645098.db2.gz KVOVMVJURMVANQ-QGZVFWFLSA-N 0 1 296.414 3.729 20 0 CHADMN CCc1ccc([C@@H]2CCC[N@@H+](Cc3ncccc3[O-])C2)cc1 ZINC000572505932 1128645101 /nfs/dbraw/zinc/64/51/01/1128645101.db2.gz KVOVMVJURMVANQ-QGZVFWFLSA-N 0 1 296.414 3.729 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)Cc2nc(C3CCCC3)no2)C1 ZINC000132344547 1128647451 /nfs/dbraw/zinc/64/74/51/1128647451.db2.gz XWEKFXBDPSNWGR-GXTWGEPZSA-N 0 1 277.412 3.738 20 0 CHADMN CCCN(CCc1cccc(F)c1)Cc1cscn1 ZINC000132356707 1128648288 /nfs/dbraw/zinc/64/82/88/1128648288.db2.gz RMZZCRCKNDKUFT-UHFFFAOYSA-N 0 1 278.396 3.737 20 0 CHADMN COCc1cccc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC000572664380 1128646667 /nfs/dbraw/zinc/64/66/67/1128646667.db2.gz DDRPNBMABNNQNS-LJQANCHMSA-N 0 1 299.389 3.904 20 0 CHADMN COCc1cccc(CN2CC[C@](F)(c3ccccc3)C2)c1 ZINC000572664380 1128646669 /nfs/dbraw/zinc/64/66/69/1128646669.db2.gz DDRPNBMABNNQNS-LJQANCHMSA-N 0 1 299.389 3.904 20 0 CHADMN CCCn1c(C)nnc1CN(C)C1CCCCCCC1 ZINC000155138092 1128651987 /nfs/dbraw/zinc/65/19/87/1128651987.db2.gz MPZXEIQEDDGSDM-UHFFFAOYSA-N 0 1 278.444 3.541 20 0 CHADMN Cc1cc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)c(C)s1 ZINC000556967537 1128653312 /nfs/dbraw/zinc/65/33/12/1128653312.db2.gz KNTHQGIKAAMJGQ-CVEARBPZSA-N 0 1 277.433 3.508 20 0 CHADMN C[C@@H](C[N@@H+](CCC1CCCC1)Cc1ccccc1)C(=O)[O-] ZINC000573379772 1128653737 /nfs/dbraw/zinc/65/37/37/1128653737.db2.gz QEFBECGSIKMLBN-HNNXBMFYSA-N 0 1 289.419 3.790 20 0 CHADMN Cc1ccc(SCCN(C)Cc2cccnc2)cc1C ZINC000132586485 1128655066 /nfs/dbraw/zinc/65/50/66/1128655066.db2.gz OIVKSTUSVMRPPT-UHFFFAOYSA-N 0 1 286.444 3.923 20 0 CHADMN CCOC1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000195199331 1128655293 /nfs/dbraw/zinc/65/52/93/1128655293.db2.gz KLXMWFMIQMUMHF-UHFFFAOYSA-N 0 1 285.790 3.523 20 0 CHADMN C[C@@H](c1ccccc1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000074159501 1128656439 /nfs/dbraw/zinc/65/64/39/1128656439.db2.gz SOBARSZDTPGQEA-KSSFIOAISA-N 0 1 285.362 3.960 20 0 CHADMN CCc1ccc(CN2CCC[C@@H]2c2cccc(OC)c2)nc1 ZINC000557002810 1128657101 /nfs/dbraw/zinc/65/71/01/1128657101.db2.gz CBNYWSISBQOJSO-LJQANCHMSA-N 0 1 296.414 3.990 20 0 CHADMN CCCCn1nc(C)c(CN(C)[C@H](C)C2CC2)c1Cl ZINC000158041276 1128664327 /nfs/dbraw/zinc/66/43/27/1128664327.db2.gz LFEHGFYRQNUABC-GFCCVEGCSA-N 0 1 283.847 3.875 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccnc(Cl)c2)c1 ZINC000158651947 1128670215 /nfs/dbraw/zinc/67/02/15/1128670215.db2.gz DZJNTBBNRBUAKM-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN CCN(CCc1ccccn1)Cc1nc2ccccc2s1 ZINC000920256657 1128674998 /nfs/dbraw/zinc/67/49/98/1128674998.db2.gz SIIKOYUDCSLEIW-UHFFFAOYSA-N 0 1 297.427 3.756 20 0 CHADMN CC(C)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000923762157 1128686680 /nfs/dbraw/zinc/68/66/80/1128686680.db2.gz XOYMBIRSDWSURP-ZDUSSCGKSA-N 0 1 291.782 3.935 20 0 CHADMN CCN(CC(=O)NC)Cc1ccc(C(C)C)cc1C(C)C ZINC000920780829 1128690728 /nfs/dbraw/zinc/69/07/28/1128690728.db2.gz CDYYTCXDGKGSEW-UHFFFAOYSA-N 0 1 290.451 3.501 20 0 CHADMN COc1cccc2c1CCC[C@@H]2NCc1ccc(C)c(C)n1 ZINC000577838176 1128691572 /nfs/dbraw/zinc/69/15/72/1128691572.db2.gz CJAGIPNHBHTVED-SFHVURJKSA-N 0 1 296.414 3.874 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000577901864 1128698275 /nfs/dbraw/zinc/69/82/75/1128698275.db2.gz QKWWQMPBPPLJCK-JZXOWHBKSA-N 0 1 294.398 3.555 20 0 CHADMN [O-]c1cccnc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000577901864 1128698278 /nfs/dbraw/zinc/69/82/78/1128698278.db2.gz QKWWQMPBPPLJCK-JZXOWHBKSA-N 0 1 294.398 3.555 20 0 CHADMN CC=CC(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000921282496 1128706434 /nfs/dbraw/zinc/70/64/34/1128706434.db2.gz FUENWPHFBMILIC-IHWYPQMZSA-N 0 1 295.317 3.884 20 0 CHADMN C[C@H](CC(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000578083784 1128706727 /nfs/dbraw/zinc/70/67/27/1128706727.db2.gz FCTNFCWJEMTKCG-CQSZACIVSA-N 0 1 283.371 3.649 20 0 CHADMN CCC(C)(C)[C@H]1CCC[N@H+]1CCCCCC(=O)[O-] ZINC000578076475 1128705456 /nfs/dbraw/zinc/70/54/56/1128705456.db2.gz KHBRYSSXGUUWCF-CYBMUJFWSA-N 0 1 255.402 3.532 20 0 CHADMN COc1ccccc1[C@H](C)NCc1cnn(CC2CCC2)c1 ZINC000921487753 1128710484 /nfs/dbraw/zinc/71/04/84/1128710484.db2.gz WDLLAXOQTNZILX-AWEZNQCLSA-N 0 1 299.418 3.543 20 0 CHADMN CC(C)(C)C(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001142776265 1128713117 /nfs/dbraw/zinc/71/31/17/1128713117.db2.gz AEBOTSVMZCAMFL-UHFFFAOYSA-N 0 1 262.136 3.684 20 0 CHADMN CCCN[C@H](C)c1nc(-c2ccc(SCC)cc2)no1 ZINC000233159037 1128716047 /nfs/dbraw/zinc/71/60/47/1128716047.db2.gz FFKNAQZVLUKLDH-LLVKDONJSA-N 0 1 291.420 3.909 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(CO)c(C)c1 ZINC001203528373 1128716503 /nfs/dbraw/zinc/71/65/03/1128716503.db2.gz NCAYSWFQKJLRNE-UHFFFAOYSA-N 0 1 294.354 3.788 20 0 CHADMN CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000609635843 1128720966 /nfs/dbraw/zinc/72/09/66/1128720966.db2.gz SJECKPBRUIDEJL-DOTOQJQBSA-N 0 1 279.424 3.541 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000779082244 1128724436 /nfs/dbraw/zinc/72/44/36/1128724436.db2.gz PKLCPNSHPJREOP-BLLLJJGKSA-N 0 1 297.402 3.815 20 0 CHADMN N#CC(C(=O)Cc1ccsc1)c1ccc2ccccc2n1 ZINC000048852418 1128732671 /nfs/dbraw/zinc/73/26/71/1128732671.db2.gz ZYESKESSULMRNJ-AWEZNQCLSA-N 0 1 292.363 3.715 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@@]2(C)CC(C)C)c1 ZINC000622637781 1117751604 /nfs/dbraw/zinc/75/16/04/1117751604.db2.gz GFIPTMZZEBKXBT-SFHVURJKSA-N 0 1 299.418 3.912 20 0 CHADMN CC[C@@H](C)N1CCN(C(=O)C[C@@H](C)C2CCCCC2)CC1 ZINC000622658449 1117753859 /nfs/dbraw/zinc/75/38/59/1117753859.db2.gz XZGOZJKWJCESEQ-HZPDHXFCSA-N 0 1 294.483 3.536 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cc3ccc(F)cc3[nH]1)CO2 ZINC000683079270 1117754143 /nfs/dbraw/zinc/75/41/43/1117754143.db2.gz LMBFXSRMXSEYBH-QGZVFWFLSA-N 0 1 296.345 3.839 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1cc(C)ccc1C ZINC000035010673 1117760465 /nfs/dbraw/zinc/76/04/65/1117760465.db2.gz ZAVIHWFZTOKUEE-GFCCVEGCSA-N 0 1 258.365 3.759 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2[C@@H](C)CCC[C@@H]2C)c(C)c1 ZINC000003153791 1117763197 /nfs/dbraw/zinc/76/31/97/1117763197.db2.gz OEEURYQNJMVJOP-HOTGVXAUSA-N 0 1 288.435 3.813 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2c(C)noc2C)cc1 ZINC000035052945 1117764728 /nfs/dbraw/zinc/76/47/28/1117764728.db2.gz IYJGPZLAVNHIOC-LLVKDONJSA-N 0 1 274.364 3.541 20 0 CHADMN COc1ccc2oc(C[N@@H+](C)Cc3occc3C)cc2c1 ZINC000430143482 1117768255 /nfs/dbraw/zinc/76/82/55/1117768255.db2.gz FECGTBDJHLDKHI-UHFFFAOYSA-N 0 1 285.343 3.975 20 0 CHADMN COc1ccc2oc(CN(C)Cc3occc3C)cc2c1 ZINC000430143482 1117768259 /nfs/dbraw/zinc/76/82/59/1117768259.db2.gz FECGTBDJHLDKHI-UHFFFAOYSA-N 0 1 285.343 3.975 20 0 CHADMN CC(C)C1CC(NCc2c(F)c(F)cc(F)c2F)C1 ZINC000683106804 1117769665 /nfs/dbraw/zinc/76/96/65/1117769665.db2.gz DULRFTLSZFVVFR-UHFFFAOYSA-N 0 1 275.289 3.767 20 0 CHADMN C[C@H]([NH2+]C(C1CC1)C1CC1)c1cc(Cl)ccc1[O-] ZINC000185161569 1117775270 /nfs/dbraw/zinc/77/52/70/1117775270.db2.gz YGKDHEKPAIRNAZ-VIFPVBQESA-N 0 1 265.784 3.885 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(CC)(CC)CC)n[nH]1 ZINC000683121074 1117779093 /nfs/dbraw/zinc/77/90/93/1117779093.db2.gz NTQJGYQZBARGNS-RYUDHWBXSA-N 0 1 294.443 3.712 20 0 CHADMN C[C@@H]1CN(CCCCCF)C[C@@H](c2ccc(F)cc2)O1 ZINC000671241571 1117783380 /nfs/dbraw/zinc/78/33/80/1117783380.db2.gz SQTYSDKUOWQREU-CJNGLKHVSA-N 0 1 283.362 3.727 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccco1)c1ccc(N2CCCC2=O)cc1 ZINC000160213121 1117784815 /nfs/dbraw/zinc/78/48/15/1117784815.db2.gz MPFDOIHJMLUDCR-KGLIPLIRSA-N 0 1 298.386 3.818 20 0 CHADMN CN(Cc1cncc(F)c1)C(C)(C)c1ccccc1 ZINC000671246605 1117784830 /nfs/dbraw/zinc/78/48/30/1117784830.db2.gz VYUAJBLCSVPGQL-UHFFFAOYSA-N 0 1 258.340 3.588 20 0 CHADMN CC(C)(C)c1ncc(CNc2ccc3c[nH]nc3c2)s1 ZINC000062838948 1117786681 /nfs/dbraw/zinc/78/66/81/1117786681.db2.gz MXVKEAOCCQVHCZ-UHFFFAOYSA-N 0 1 286.404 3.929 20 0 CHADMN CCCCOCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185228803 1117792929 /nfs/dbraw/zinc/79/29/29/1117792929.db2.gz SDKRSFHJERQOFS-NSHDSACASA-N 0 1 271.788 3.513 20 0 CHADMN CSCc1cnc(CNC2CC(C(C)(C)C)C2)s1 ZINC000339468171 1117802062 /nfs/dbraw/zinc/80/20/62/1117802062.db2.gz WPSMWDMDAFCHNU-UHFFFAOYSA-N 0 1 284.494 3.920 20 0 CHADMN CC[C@@](C)(NCCOc1ccc(C)cc1)c1nccs1 ZINC000072684047 1117802946 /nfs/dbraw/zinc/80/29/46/1117802946.db2.gz GTTNOJFJZYOOMX-MRXNPFEDSA-N 0 1 290.432 3.745 20 0 CHADMN CCc1nc(CNC2CC(C(C)(C)C)C2)cs1 ZINC000339470736 1117803577 /nfs/dbraw/zinc/80/35/77/1117803577.db2.gz TZFHEWVSTKGMAW-UHFFFAOYSA-N 0 1 252.427 3.620 20 0 CHADMN C[C@@H]([NH2+]Cc1cccc(O)c1)c1cc(Cl)ccc1[O-] ZINC000185300015 1117806881 /nfs/dbraw/zinc/80/68/81/1117806881.db2.gz XDDMFMPTHSHPAP-SNVBAGLBSA-N 0 1 277.751 3.602 20 0 CHADMN CCN(C)c1ccc(CN(CC)[C@H](C)c2cccnc2)cn1 ZINC000579041779 1128736606 /nfs/dbraw/zinc/73/66/06/1128736606.db2.gz ZJQUUAKGFHIPJS-OAHLLOKOSA-N 0 1 298.434 3.516 20 0 CHADMN CCN(C(=O)c1cccc(F)c1O)c1cc(C)ccc1C ZINC001125284447 1117817581 /nfs/dbraw/zinc/81/75/81/1117817581.db2.gz QQMZUZNCSARJSH-UHFFFAOYSA-N 0 1 287.334 3.815 20 0 CHADMN CCSc1ccc(-c2noc([C@@H]3CCCCN3)n2)cc1 ZINC000233835025 1128736923 /nfs/dbraw/zinc/73/69/23/1128736923.db2.gz WOOYSLZLQCLZAT-ZDUSSCGKSA-N 0 1 289.404 3.663 20 0 CHADMN CC[C@@H]1CCN1Cc1cnc(C2CCCC2)s1 ZINC000430193409 1117834576 /nfs/dbraw/zinc/83/45/76/1117834576.db2.gz FYZLURWBLSXUMU-GFCCVEGCSA-N 0 1 250.411 3.785 20 0 CHADMN Cc1ccoc1CN[C@@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000072923452 1117845158 /nfs/dbraw/zinc/84/51/58/1117845158.db2.gz OAPCZPQSGQZMQD-ZUZCIYMTSA-N 0 1 297.757 3.592 20 0 CHADMN Oc1cccc(CNc2cc3c(cn2)CCC3)c1Cl ZINC000339553306 1117850117 /nfs/dbraw/zinc/85/01/17/1117850117.db2.gz HPMYLXHREUXPIG-UHFFFAOYSA-N 0 1 274.751 3.541 20 0 CHADMN c1c2ccccc2oc1CNc1cc2c(cn1)CCC2 ZINC000339555284 1117852533 /nfs/dbraw/zinc/85/25/33/1117852533.db2.gz QFFKBCYQIPJFNZ-UHFFFAOYSA-N 0 1 264.328 3.929 20 0 CHADMN c1nc(C2CCC2)sc1CNc1cc2c(cn1)CCC2 ZINC000339557521 1117854299 /nfs/dbraw/zinc/85/42/99/1117854299.db2.gz YVOPOAQEYITDJS-UHFFFAOYSA-N 0 1 285.416 3.906 20 0 CHADMN C[C@H](O)CC(C)(C)CNCc1c(F)ccc(F)c1Cl ZINC000623429948 1117856198 /nfs/dbraw/zinc/85/61/98/1117856198.db2.gz WSPCUENRVPSZRP-VIFPVBQESA-N 0 1 291.769 3.505 20 0 CHADMN CSc1cc(C)ccc1CNCc1ccnc(C)c1 ZINC000623445535 1117858758 /nfs/dbraw/zinc/85/87/58/1117858758.db2.gz VIONFARQBXQZKO-UHFFFAOYSA-N 0 1 272.417 3.710 20 0 CHADMN CO[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(C)(C)C ZINC000185617449 1117860304 /nfs/dbraw/zinc/86/03/04/1117860304.db2.gz AYWAEVQMBQHFJJ-IINYFYTJSA-N 0 1 285.815 3.757 20 0 CHADMN Cc1ccc([C@H](N[C@H](C)COC(C)C)c2ccccn2)cc1 ZINC000375592224 1117866864 /nfs/dbraw/zinc/86/68/64/1117866864.db2.gz REJKNVASGHOOAI-APWZRJJASA-N 0 1 298.430 3.883 20 0 CHADMN CCC[C@@H](CNCc1csc(C(C)(C)C)n1)OCC ZINC000623598060 1117877686 /nfs/dbraw/zinc/87/76/86/1117877686.db2.gz NWFIENLEBBZNKU-ZDUSSCGKSA-N 0 1 284.469 3.735 20 0 CHADMN Cc1oc([C@@H](C)[N@H+]2CCC[C@H]2c2ccco2)cc1C(=O)[O-] ZINC000579240117 1128741487 /nfs/dbraw/zinc/74/14/87/1128741487.db2.gz BFHBVXLPMSWABF-MFKMUULPSA-N 0 1 289.331 3.777 20 0 CHADMN C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccoc1 ZINC000177940913 1117881845 /nfs/dbraw/zinc/88/18/45/1117881845.db2.gz IFCKSXVZNXQHAY-XIKOKIGWSA-N 0 1 299.370 3.853 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H](CCc2ccccc2)C(F)F)C[C@H](C)O1 ZINC000623658329 1117885469 /nfs/dbraw/zinc/88/54/69/1117885469.db2.gz RHUSMEXSINGILC-XNISGKROSA-N 0 1 297.389 3.799 20 0 CHADMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2c(C)nsc2C)C1 ZINC000579245939 1128742458 /nfs/dbraw/zinc/74/24/58/1128742458.db2.gz WJVYWVVBWSBDKZ-QWHCGFSZSA-N 0 1 284.494 3.866 20 0 CHADMN OC[C@H](N[C@@H]1CCCc2sccc21)c1ccsc1 ZINC000349411558 1117898387 /nfs/dbraw/zinc/89/83/87/1117898387.db2.gz KUXANQMCPUIYMA-OLZOCXBDSA-N 0 1 279.430 3.510 20 0 CHADMN OC[C@@H](N[C@H]1CCc2c1cccc2Cl)c1ccsc1 ZINC000349409572 1117898573 /nfs/dbraw/zinc/89/85/73/1117898573.db2.gz KUPRSZNOXJETSJ-LSDHHAIUSA-N 0 1 293.819 3.712 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@H]2N[C@H](CO)c1ccsc1 ZINC000349430413 1117899354 /nfs/dbraw/zinc/89/93/54/1117899354.db2.gz SPSBCHYFHFXNMS-DAXOMENPSA-N 0 1 287.428 3.928 20 0 CHADMN C[C@@H]1CCCC[C@H]1C(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000615281221 1128742854 /nfs/dbraw/zinc/74/28/54/1128742854.db2.gz NUQJLYVQQFHITQ-DGCLKSJQSA-N 0 1 299.374 3.547 20 0 CHADMN C[C@@H](c1noc(-c2ccc3cncn3c2)n1)C(C)(C)C ZINC000350071302 1117905071 /nfs/dbraw/zinc/90/50/71/1117905071.db2.gz JWKFUCZPEMILDH-JTQLQIEISA-N 0 1 270.336 3.534 20 0 CHADMN CCCCN(C(=O)c1cc(CC)[nH]n1)[C@@H]1CCC[C@H](C)C1 ZINC000579276424 1128742985 /nfs/dbraw/zinc/74/29/85/1128742985.db2.gz NWZKUIWMOKKQJP-DZGCQCFKSA-N 0 1 291.439 3.793 20 0 CHADMN Cc1cccc(C(C)(C)NCc2cn3c(cccc3C)n2)c1 ZINC000179591330 1117908996 /nfs/dbraw/zinc/90/89/96/1117908996.db2.gz RPHMWIQPDAMGQO-UHFFFAOYSA-N 0 1 293.414 3.976 20 0 CHADMN CCC[C@H](C)CN1CCO[C@H](c2cccs2)C1 ZINC000179887946 1117915725 /nfs/dbraw/zinc/91/57/25/1117915725.db2.gz ATPRZHQNNPFLCO-STQMWFEESA-N 0 1 253.411 3.558 20 0 CHADMN CCC[C@@H](C)CN1CCO[C@H](c2cccs2)C1 ZINC000179887929 1117916574 /nfs/dbraw/zinc/91/65/74/1117916574.db2.gz ATPRZHQNNPFLCO-OLZOCXBDSA-N 0 1 253.411 3.558 20 0 CHADMN Cc1cccc(S(=O)(=O)Nc2ccccc2C)c1Cl ZINC000179947813 1117917178 /nfs/dbraw/zinc/91/71/78/1117917178.db2.gz QHSZPSPJNFWYME-UHFFFAOYSA-N 0 1 295.791 3.758 20 0 CHADMN CCN(C(=O)c1cc(-c2ccc(C)cc2)[nH]n1)C1CCCC1 ZINC000047216088 1117917505 /nfs/dbraw/zinc/91/75/05/1117917505.db2.gz YVVWUJVHTNJLDU-UHFFFAOYSA-N 0 1 297.402 3.790 20 0 CHADMN Cc1ccc(-c2noc(-c3cc(-c4cccs4)n[nH]3)n2)o1 ZINC000350803944 1117917710 /nfs/dbraw/zinc/91/77/10/1117917710.db2.gz HVKAVQIONBFGEY-UHFFFAOYSA-N 0 1 298.327 3.757 20 0 CHADMN Clc1scc(CN[C@@H]2CO[C@H](C3CC3)C2)c1Cl ZINC000623753740 1117919359 /nfs/dbraw/zinc/91/93/59/1117919359.db2.gz DCGOKFJQEBZEKC-UWVGGRQHSA-N 0 1 292.231 3.712 20 0 CHADMN Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)Cc2ncccc2[O-])cc1 ZINC000579290126 1128744040 /nfs/dbraw/zinc/74/40/40/1128744040.db2.gz FIJXFVRYIUYBNC-AEFFLSMTSA-N 0 1 296.414 3.864 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)C1CC2(C1)CCCCC2 ZINC001625806951 1117927293 /nfs/dbraw/zinc/92/72/93/1117927293.db2.gz IZIFRHUSVTTXID-UHFFFAOYSA-N 0 1 283.375 3.862 20 0 CHADMN CCn1nccc1CN[C@@H](c1ccc(F)cc1F)C(C)C ZINC000119563584 1117929902 /nfs/dbraw/zinc/92/99/02/1117929902.db2.gz OHQJAFVJGRGEIQ-MRXNPFEDSA-N 0 1 293.361 3.668 20 0 CHADMN CCn1nccc1CN[C@H](c1ccc(F)cc1F)C(C)C ZINC000119563734 1117930393 /nfs/dbraw/zinc/93/03/93/1117930393.db2.gz OHQJAFVJGRGEIQ-INIZCTEOSA-N 0 1 293.361 3.668 20 0 CHADMN CC(C)(CNCc1cocn1)c1ccc2ccccc2c1 ZINC000623785045 1117932751 /nfs/dbraw/zinc/93/27/51/1117932751.db2.gz VBKUSZZMCSBOJO-UHFFFAOYSA-N 0 1 280.371 3.895 20 0 CHADMN CC1(C)Cc2occc2[C@@H](NCc2cccc(O)c2)C1 ZINC000154411661 1117942905 /nfs/dbraw/zinc/94/29/05/1117942905.db2.gz YSGPLETWCISHTF-HNNXBMFYSA-N 0 1 271.360 3.789 20 0 CHADMN Cc1c[nH]nc1CN[C@@H]1CCCc2ccc(Cl)cc21 ZINC000623832587 1117943526 /nfs/dbraw/zinc/94/35/26/1117943526.db2.gz DBYXQRSBCXNWSI-CQSZACIVSA-N 0 1 275.783 3.539 20 0 CHADMN CCCC[N@@H+](Cc1noc(C)n1)[C@@H]1CCC[C@H](C)C1 ZINC000339649428 1117946582 /nfs/dbraw/zinc/94/65/82/1117946582.db2.gz VENZMHTZZJOZCX-GXTWGEPZSA-N 0 1 265.401 3.559 20 0 CHADMN CCCCN(Cc1noc(C)n1)[C@@H]1CCC[C@H](C)C1 ZINC000339649428 1117946585 /nfs/dbraw/zinc/94/65/85/1117946585.db2.gz VENZMHTZZJOZCX-GXTWGEPZSA-N 0 1 265.401 3.559 20 0 CHADMN C(=Cc1ccccc1)c1n[nH]c(SCc2cccnc2)n1 ZINC000339649940 1117948098 /nfs/dbraw/zinc/94/80/98/1117948098.db2.gz FFMWTLMGLBHALT-HJWRWDBZSA-N 0 1 294.383 3.662 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cccc(F)n1)[C@H](C)C2 ZINC000779135179 1128745974 /nfs/dbraw/zinc/74/59/74/1128745974.db2.gz ACGYLBITEVNZET-SJKOYZFVSA-N 0 1 270.351 3.552 20 0 CHADMN Cc1csc([C@@H](C)NC[C@H](C)Oc2ccccc2C)n1 ZINC000623899825 1117951268 /nfs/dbraw/zinc/95/12/68/1117951268.db2.gz UJGLOAWMVBAOGT-UONOGXRCSA-N 0 1 290.432 3.878 20 0 CHADMN CC1=C[C@H](C)CN(Cc2sccc2Br)C1 ZINC000430265024 1117958585 /nfs/dbraw/zinc/95/85/85/1117958585.db2.gz TYUYGNWDTRPIRA-VIFPVBQESA-N 0 1 286.238 3.909 20 0 CHADMN CC(C)[C@@]1(CO)CCCN([C@H](C)c2c(F)cccc2F)C1 ZINC000339701905 1117960348 /nfs/dbraw/zinc/96/03/48/1117960348.db2.gz OTUWOLPFKXLKCS-DYVFJYSZSA-N 0 1 297.389 3.756 20 0 CHADMN C[C@H](Nc1ccc(Cl)c(CN(C)C)c1)[C@H]1CCCCO1 ZINC000623978105 1117964762 /nfs/dbraw/zinc/96/47/62/1117964762.db2.gz JUMGLLBWSVUCCR-BLLLJJGKSA-N 0 1 296.842 3.771 20 0 CHADMN C[C@@H]([N@@H+](C)Cc1cc(C(=O)[O-])ccc1Cl)C(C)(C)C ZINC000579364619 1128746896 /nfs/dbraw/zinc/74/68/96/1128746896.db2.gz QEYSYOOLFDFYRI-SNVBAGLBSA-N 0 1 283.799 3.905 20 0 CHADMN CC[C@@H](NCc1ncccc1OC)c1cc(C)ccc1C ZINC000623997357 1117968064 /nfs/dbraw/zinc/96/80/64/1117968064.db2.gz KDCFKFVJOZNQCX-MRXNPFEDSA-N 0 1 284.403 3.948 20 0 CHADMN COC[C@H](CC(C)(C)C)N[C@H]1CCCc2scnc21 ZINC000624009034 1117969478 /nfs/dbraw/zinc/96/94/78/1117969478.db2.gz NRFRTANFYOPOAG-RYUDHWBXSA-N 0 1 282.453 3.561 20 0 CHADMN COC[C@@H](CC(C)(C)C)N[C@H]1CCCc2scnc21 ZINC000624009032 1117969486 /nfs/dbraw/zinc/96/94/86/1117969486.db2.gz NRFRTANFYOPOAG-NEPJUHHUSA-N 0 1 282.453 3.561 20 0 CHADMN c1cnc2c(c1)cccc2CN1CCOC[C@H]1CC1CCC1 ZINC000339769793 1117974586 /nfs/dbraw/zinc/97/45/86/1117974586.db2.gz SJTOPBZBEBUXBN-GOSISDBHSA-N 0 1 296.414 3.626 20 0 CHADMN c1c2ccccc2oc1CN1CCOC[C@@H]1CC1CCC1 ZINC000339780171 1117975136 /nfs/dbraw/zinc/97/51/36/1117975136.db2.gz TYFBLPATVKWBLO-INIZCTEOSA-N 0 1 285.387 3.824 20 0 CHADMN Cc1cc(F)ccc1-c1ccc(CN[C@H](C)c2cn[nH]c2)o1 ZINC000339792737 1117975900 /nfs/dbraw/zinc/97/59/00/1117975900.db2.gz RRHXWGWIXSSGIS-GFCCVEGCSA-N 0 1 299.349 3.968 20 0 CHADMN C[C@H](N[C@@H]1[C@@H](c2ccccc2)C1(C)C)c1cscn1 ZINC000624068180 1117978645 /nfs/dbraw/zinc/97/86/45/1117978645.db2.gz NVBVSWRATONUHJ-NILFDRSVSA-N 0 1 272.417 3.986 20 0 CHADMN CSc1cccc(CN(Cc2ccccn2)C2CC2)c1 ZINC000660168384 1128747765 /nfs/dbraw/zinc/74/77/65/1128747765.db2.gz OPTNPMUQJDKTGE-UHFFFAOYSA-N 0 1 284.428 3.968 20 0 CHADMN CCC[C@H]1CCCCN1Cc1ncc(OC)cc1Cl ZINC001238489614 1117982998 /nfs/dbraw/zinc/98/29/98/1117982998.db2.gz SSRXHVQEBRMLNS-LBPRGKRZSA-N 0 1 282.815 3.898 20 0 CHADMN Cc1ccccc1-c1cnc(CN[C@H]2CCC2(C)C)o1 ZINC000579489454 1128750041 /nfs/dbraw/zinc/75/00/41/1128750041.db2.gz ULTWBRFAPKPZGD-HNNXBMFYSA-N 0 1 270.376 3.928 20 0 CHADMN CCC(F)(F)CN[C@H](Cc1ccccc1)C1CC1 ZINC000624147879 1117988843 /nfs/dbraw/zinc/98/88/43/1117988843.db2.gz NONGETSJTYCDNT-CQSZACIVSA-N 0 1 253.336 3.643 20 0 CHADMN CCc1nnc(CNC2CCC(C(C)(C)C)CC2)s1 ZINC000353103456 1117993085 /nfs/dbraw/zinc/99/30/85/1117993085.db2.gz DAAYBPRAQLPXKQ-UHFFFAOYSA-N 0 1 281.469 3.795 20 0 CHADMN FC(F)(F)OCCNCc1c(Cl)oc2ccccc21 ZINC000353222724 1117993936 /nfs/dbraw/zinc/99/39/36/1117993936.db2.gz GPSQANOONSKDNU-UHFFFAOYSA-N 0 1 293.672 3.712 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H](C)c1ccoc1 ZINC000181401929 1117998677 /nfs/dbraw/zinc/99/86/77/1117998677.db2.gz YEWZVSJMRADZFM-VXGBXAGGSA-N 0 1 275.396 3.951 20 0 CHADMN Cc1cc(Cl)cc(CN(C)Cc2ccco2)c1O ZINC000179582357 1128749196 /nfs/dbraw/zinc/74/91/96/1128749196.db2.gz JCMJUAIAKSUKMD-UHFFFAOYSA-N 0 1 265.740 3.579 20 0 CHADMN CCc1nnc(SCCSc2ccc(Cl)cc2)[nH]1 ZINC000073368418 1118009793 /nfs/dbraw/zinc/00/97/93/1118009793.db2.gz OJQZXERFHSPPMX-UHFFFAOYSA-N 0 1 299.852 3.905 20 0 CHADMN CCN1CCN([C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000615454421 1128749517 /nfs/dbraw/zinc/74/95/17/1128749517.db2.gz ZTLZISLPGYFIFU-LLVKDONJSA-N 0 1 287.234 3.692 20 0 CHADMN C[C@H](N(C)CC(=O)c1c[nH]c2ccc(F)cc12)C1(C)CC1 ZINC000625218166 1118015101 /nfs/dbraw/zinc/01/51/01/1118015101.db2.gz VECRNWABVVHBOS-NSHDSACASA-N 0 1 288.366 3.610 20 0 CHADMN COc1ccccc1[C@@H](CC(C)C)NCc1c[nH]nc1C ZINC000080206330 1118019491 /nfs/dbraw/zinc/01/94/91/1118019491.db2.gz WBDHTCOFJPDMSU-MRXNPFEDSA-N 0 1 287.407 3.604 20 0 CHADMN Cc1cc(F)ccc1CN(C)[C@H](C)c1cccnc1 ZINC000182287607 1118019597 /nfs/dbraw/zinc/01/95/97/1118019597.db2.gz MYNWWWMESJTVTQ-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN CC[C@H](C)CCc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000579525931 1128750403 /nfs/dbraw/zinc/75/04/03/1128750403.db2.gz VONMKCZRWWQHEU-JTQLQIEISA-N 0 1 284.363 3.900 20 0 CHADMN CCCN1CCC[C@H]1c1nc(-c2ccccc2C)no1 ZINC000443094189 1118024917 /nfs/dbraw/zinc/02/49/17/1118024917.db2.gz ORSXGKZEEKVHBE-AWEZNQCLSA-N 0 1 271.364 3.592 20 0 CHADMN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1cscn1 ZINC000579509293 1128750658 /nfs/dbraw/zinc/75/06/58/1128750658.db2.gz FCDDFKJKJSNCNQ-NWDGAFQWSA-N 0 1 252.427 3.790 20 0 CHADMN Cc1ccc([C@@H](C)N(C)CC(=O)Nc2ccccc2)c(C)c1 ZINC000615463792 1128750864 /nfs/dbraw/zinc/75/08/64/1128750864.db2.gz OCGWSZWUYQZJFW-MRXNPFEDSA-N 0 1 296.414 3.935 20 0 CHADMN Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)c(C)o1 ZINC000182770922 1118028709 /nfs/dbraw/zinc/02/87/09/1118028709.db2.gz IQDGWZCBNHDIFZ-UHFFFAOYSA-N 0 1 299.779 3.659 20 0 CHADMN CCS[C@@H](C)c1noc(CN[C@@H](C)C2CCCCC2)n1 ZINC000182945283 1118033259 /nfs/dbraw/zinc/03/32/59/1118033259.db2.gz KOSWVQZGSXTKTA-RYUDHWBXSA-N 0 1 297.468 3.942 20 0 CHADMN CC(C)[C@@H](NCc1ccc[nH]c1=O)c1cc(F)ccc1F ZINC000624259609 1118033274 /nfs/dbraw/zinc/03/32/74/1118033274.db2.gz RBOQFPHIJHOAER-OAHLLOKOSA-N 0 1 292.329 3.552 20 0 CHADMN CC(C)Cn1cc(CN(C)[C@H](C)c2ccccc2)cn1 ZINC000182984141 1118034397 /nfs/dbraw/zinc/03/43/97/1118034397.db2.gz XMZLLELMQHVAGI-OAHLLOKOSA-N 0 1 271.408 3.732 20 0 CHADMN CC(C)Cn1cc(CN2CCC[C@@H]2c2cccs2)cn1 ZINC000182980487 1118034469 /nfs/dbraw/zinc/03/44/69/1118034469.db2.gz YLYJLZNOMUNUJA-OAHLLOKOSA-N 0 1 289.448 3.938 20 0 CHADMN CC[C@@H](C)NC(=O)CN[C@H](c1ccccc1Cl)C(C)C ZINC000183698506 1118047419 /nfs/dbraw/zinc/04/74/19/1118047419.db2.gz SNGMGMDXCQCDFD-WBMJQRKESA-N 0 1 296.842 3.541 20 0 CHADMN C[C@H](c1cccnc1)N(C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000183718944 1118048237 /nfs/dbraw/zinc/04/82/37/1118048237.db2.gz KDYUVDVBVAALMK-CQSZACIVSA-N 0 1 292.386 3.665 20 0 CHADMN C[C@H](N[C@@H]1CCCc2n[nH]cc21)c1cc2ccccc2o1 ZINC000367538941 1118056184 /nfs/dbraw/zinc/05/61/84/1118056184.db2.gz UUGUXKOYZJDMFH-SMDDNHRTSA-N 0 1 281.359 3.884 20 0 CHADMN C[C@@H](CCC(=O)Nc1nc(C2CCC2)n[nH]1)c1ccccc1 ZINC000184644251 1118056200 /nfs/dbraw/zinc/05/62/00/1118056200.db2.gz HECCJCPUODCPPG-LBPRGKRZSA-N 0 1 298.390 3.595 20 0 CHADMN C[C@@H](CCC(=O)Nc1n[nH]c(C2CCC2)n1)c1ccccc1 ZINC000184644251 1118056206 /nfs/dbraw/zinc/05/62/06/1118056206.db2.gz HECCJCPUODCPPG-LBPRGKRZSA-N 0 1 298.390 3.595 20 0 CHADMN Cc1cccc(CNCc2ccc(F)cc2F)c1C ZINC000050198639 1118056804 /nfs/dbraw/zinc/05/68/04/1118056804.db2.gz CPTFOCDGKONTEC-UHFFFAOYSA-N 0 1 261.315 3.871 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1cccc(C(F)F)c1 ZINC000579616218 1128752926 /nfs/dbraw/zinc/75/29/26/1128752926.db2.gz HHWJMJHFAGWVJC-SUNKGSAMSA-N 0 1 297.345 3.698 20 0 CHADMN CCc1nc([C@H](C)NCCOc2ccccc2F)cs1 ZINC000184682686 1118057421 /nfs/dbraw/zinc/05/74/21/1118057421.db2.gz OCRSMNPXWRLSNY-NSHDSACASA-N 0 1 294.395 3.574 20 0 CHADMN O=C(C[C@@H]1CCCN1Cc1ccoc1)c1ccccc1 ZINC000093668041 1118070973 /nfs/dbraw/zinc/07/09/73/1118070973.db2.gz HXROVWYKVBVVET-INIZCTEOSA-N 0 1 269.344 3.517 20 0 CHADMN Cc1ccccc1CN(Cc1ccc(F)nc1)C1CC1 ZINC000779154396 1128754140 /nfs/dbraw/zinc/75/41/40/1128754140.db2.gz URIZPZFWCXWIFE-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN Cc1ncc(CNCc2ccc(C)cc2Cl)s1 ZINC000235894400 1118080706 /nfs/dbraw/zinc/08/07/06/1118080706.db2.gz OZWBBPMNJQHQHJ-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN CC[C@H](C(=O)O[C@@H](C)c1ccc(F)c(F)c1)N(CC)CC ZINC000764344136 1118085476 /nfs/dbraw/zinc/08/54/76/1118085476.db2.gz DUAUQMCGIQYJOJ-XHDPSFHLSA-N 0 1 299.361 3.689 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccccc2C(=O)[O-])CCc2ccccc21 ZINC000404763409 1118090542 /nfs/dbraw/zinc/09/05/42/1118090542.db2.gz KJULMKMHUPRJEU-AWEZNQCLSA-N 0 1 295.382 3.547 20 0 CHADMN CCCc1noc(CN2C[C@@H](c3ccccc3C)C[C@H]2C)n1 ZINC000247111013 1118090703 /nfs/dbraw/zinc/09/07/03/1118090703.db2.gz PBVFXUJSTJFHNC-CABCVRRESA-N 0 1 299.418 3.709 20 0 CHADMN C[C@@H]1c2cccn2CCN1Cc1cccc2cccnc21 ZINC000025182669 1118098438 /nfs/dbraw/zinc/09/84/38/1118098438.db2.gz ROJNKZVFFNEJDR-CQSZACIVSA-N 0 1 277.371 3.613 20 0 CHADMN C[C@]1([NH2+]Cc2cccc([O-])c2Cl)CC=CCC1 ZINC000398232653 1118104421 /nfs/dbraw/zinc/10/44/21/1118104421.db2.gz IPHZGHMSKCIXCT-AWEZNQCLSA-N 0 1 251.757 3.634 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccnc(Cl)c2)cc1F ZINC000764762106 1118111542 /nfs/dbraw/zinc/11/15/42/1118111542.db2.gz NETKXJRNHCNHOV-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN C[C@@H]1CN(C2CCCC2)C[C@H](c2ccc(F)cc2)O1 ZINC000120151198 1118115386 /nfs/dbraw/zinc/11/53/86/1118115386.db2.gz UMHGEEPCMIJXTR-MLGOLLRUSA-N 0 1 263.356 3.530 20 0 CHADMN CO[C@@H](C)c1cccc(Nc2ccc3nccn3c2)c1 ZINC001209947544 1118116244 /nfs/dbraw/zinc/11/62/44/1118116244.db2.gz OGGWGZZFKHVUJK-LBPRGKRZSA-N 0 1 267.332 3.785 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(C(F)(F)F)ccn2)C[C@H]1C ZINC001140104090 1118118804 /nfs/dbraw/zinc/11/88/04/1118118804.db2.gz CAQJKMZCUWENDQ-VXGBXAGGSA-N 0 1 286.341 3.968 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccc(C)cc2C)on1 ZINC000298862733 1118129436 /nfs/dbraw/zinc/12/94/36/1118129436.db2.gz SNXZNAVFRKDLPA-AWEZNQCLSA-N 0 1 258.365 3.793 20 0 CHADMN C[C@@H]1C[N@@H+](CC2(C)CCC2)[C@H](c2ccccc2)CO1 ZINC000340285717 1118132221 /nfs/dbraw/zinc/13/22/21/1118132221.db2.gz QZXQPYJHGVIGEN-ZBFHGGJFSA-N 0 1 259.393 3.639 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccn(C(C)C)c1 ZINC001239070135 1118137120 /nfs/dbraw/zinc/13/71/20/1118137120.db2.gz KSALFPXUJWXODV-UHFFFAOYSA-N 0 1 255.321 3.621 20 0 CHADMN C[C@@H](CCc1ccco1)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000237360706 1118142100 /nfs/dbraw/zinc/14/21/00/1118142100.db2.gz ZJNCQZNTXFXMLO-RYUDHWBXSA-N 0 1 291.395 3.632 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1ccc([C@H](C)O)cc1 ZINC000765305414 1118143744 /nfs/dbraw/zinc/14/37/44/1118143744.db2.gz PBRVKGYUZZFATF-CABCVRRESA-N 0 1 299.414 3.989 20 0 CHADMN CCN(Cc1csc(-c2ccccn2)n1)CC(C)C ZINC000171883224 1118147700 /nfs/dbraw/zinc/14/77/00/1118147700.db2.gz NNGCFUHNYMUCEX-UHFFFAOYSA-N 0 1 275.421 3.683 20 0 CHADMN C[C@@H](NCc1nccc2ccccc21)c1cncs1 ZINC000765402718 1118149475 /nfs/dbraw/zinc/14/94/75/1118149475.db2.gz FOKKBCQKDMULMF-LLVKDONJSA-N 0 1 269.373 3.542 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+](C)Cc1ccccc1F ZINC000122741313 1118153717 /nfs/dbraw/zinc/15/37/17/1118153717.db2.gz MDBKKENQEMXPLQ-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)Cc1ccccc1F ZINC000122741313 1118153718 /nfs/dbraw/zinc/15/37/18/1118153718.db2.gz MDBKKENQEMXPLQ-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN NC1(c2noc(/C=C\C3CCCCCC3)n2)CCCC1 ZINC000650228057 1118154546 /nfs/dbraw/zinc/15/45/46/1118154546.db2.gz SDGUBVDKYQHGPD-KTKRTIGZSA-N 0 1 275.396 3.781 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000131697894 1118157782 /nfs/dbraw/zinc/15/77/82/1118157782.db2.gz PQUAMYSZRHDOEV-AWEZNQCLSA-N 0 1 297.345 3.844 20 0 CHADMN CCOc1cccc([C@H](C)NCc2ccc3c(n2)CCC3)c1 ZINC000579924662 1118162978 /nfs/dbraw/zinc/16/29/78/1118162978.db2.gz JPOFDRANVLCCQS-AWEZNQCLSA-N 0 1 296.414 3.820 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccc(F)cc21)c1ccc(F)cn1 ZINC000089552561 1118165519 /nfs/dbraw/zinc/16/55/19/1118165519.db2.gz DVNSQZGLBUCKTE-MGPLVRAMSA-N 0 1 274.314 3.698 20 0 CHADMN CC(C)c1ccc(CN(C)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000016376072 1118168253 /nfs/dbraw/zinc/16/82/53/1118168253.db2.gz YOYZZIPJDMNNNP-CQSZACIVSA-N 0 1 290.451 3.545 20 0 CHADMN FC(F)[C@H]1CCCCN1[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000639138127 1118174874 /nfs/dbraw/zinc/17/48/74/1118174874.db2.gz PKLMJTZNPDJGBT-CHWSQXEVSA-N 0 1 298.381 3.546 20 0 CHADMN c1nn(C2CCC2)cc1CNCc1cc2ccccc2o1 ZINC000921540889 1118176013 /nfs/dbraw/zinc/17/60/13/1118176013.db2.gz ICFVULLXHBZAOW-UHFFFAOYSA-N 0 1 281.359 3.644 20 0 CHADMN Cc1ccc(CNCc2c(Cl)n[nH]c2C2CC2)s1 ZINC000921544015 1118177979 /nfs/dbraw/zinc/17/79/79/1118177979.db2.gz OOLUBAVZRKINFV-UHFFFAOYSA-N 0 1 281.812 3.600 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cc4occc4s3)[nH]c2c1 ZINC000646983281 1118182256 /nfs/dbraw/zinc/18/22/56/1118182256.db2.gz YHDKCYWGGHOXBB-UHFFFAOYSA-N 0 1 297.339 3.931 20 0 CHADMN COc1ccc([C@@H](N[C@H]2CCCn3ccnc32)C(C)C)cc1 ZINC000655696419 1118187535 /nfs/dbraw/zinc/18/75/35/1118187535.db2.gz OXKRZBDXBLDAPR-IRXDYDNUSA-N 0 1 299.418 3.714 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc[nH]2)c(Cl)c1 ZINC001650899231 1118190325 /nfs/dbraw/zinc/19/03/25/1118190325.db2.gz ZIRPMSJVVPCANM-SNVBAGLBSA-N 0 1 264.756 3.528 20 0 CHADMN CC(C)Oc1cccc(CNCc2cccc3c2OCC3)c1 ZINC000921549008 1118190703 /nfs/dbraw/zinc/19/07/03/1118190703.db2.gz CHMCIHLQNJPSIW-UHFFFAOYSA-N 0 1 297.398 3.699 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H]2CCCn3ccnc32)c1C ZINC000655714676 1118192317 /nfs/dbraw/zinc/19/23/17/1118192317.db2.gz CRIMLHIJZHNENX-GOEBONIOSA-N 0 1 269.392 3.686 20 0 CHADMN c1ccc2c(c1)CCC[C@@H]2[N@@H+](Cc1cncnc1)C1CC1 ZINC000121515441 1118197333 /nfs/dbraw/zinc/19/73/33/1118197333.db2.gz RGFUOAWCDOEOHW-SFHVURJKSA-N 0 1 279.387 3.519 20 0 CHADMN c1ccc2c(c1)CCC[C@@H]2N(Cc1cncnc1)C1CC1 ZINC000121515441 1118197337 /nfs/dbraw/zinc/19/73/37/1118197337.db2.gz RGFUOAWCDOEOHW-SFHVURJKSA-N 0 1 279.387 3.519 20 0 CHADMN Cc1cc2c(c(C)c1)[C@@H](N[C@H](CCO)c1ccco1)CC2 ZINC000655756646 1118203673 /nfs/dbraw/zinc/20/36/73/1118203673.db2.gz IKFHWTSMIVSGNI-CVEARBPZSA-N 0 1 285.387 3.597 20 0 CHADMN CC(C)=CCC[C@@H](C)N(C)CC(=O)c1ccccc1 ZINC001258094965 1128762572 /nfs/dbraw/zinc/76/25/72/1128762572.db2.gz BNPXXPXZEZQELE-OAHLLOKOSA-N 0 1 259.393 3.936 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H]1CCCn3ccnc31)CCC2 ZINC000655767856 1118204721 /nfs/dbraw/zinc/20/47/21/1118204721.db2.gz LAJCTFFSDLXICT-IRXDYDNUSA-N 0 1 281.403 3.694 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2NCc1cnn(C2CCC2)c1 ZINC000921615359 1118205761 /nfs/dbraw/zinc/20/57/61/1118205761.db2.gz VRIWZHWCXBJSJQ-QGZVFWFLSA-N 0 1 285.366 3.524 20 0 CHADMN Cc1cnc(Cl)c(CN[C@@H]2CCc3cc(F)ccc32)c1 ZINC000921614016 1118205879 /nfs/dbraw/zinc/20/58/79/1118205879.db2.gz LDSSXDZIHQMWHB-OAHLLOKOSA-N 0 1 290.769 3.960 20 0 CHADMN CNc1ccc(C)cc1CNCc1ccccc1Cl ZINC000902024916 1118207295 /nfs/dbraw/zinc/20/72/95/1118207295.db2.gz AKSRYYNEXYPYBQ-UHFFFAOYSA-N 0 1 274.795 3.980 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cc3n(n1)CCCC3)CCC2 ZINC000655774829 1118207340 /nfs/dbraw/zinc/20/73/40/1118207340.db2.gz IKHZXIUQMRPMIU-IBGZPJMESA-N 0 1 295.430 3.695 20 0 CHADMN Cc1ccc(C2(N[C@H]3CCCn4ccnc43)CCC2)cc1 ZINC000655792539 1118213784 /nfs/dbraw/zinc/21/37/84/1118213784.db2.gz KSPIIOIOGJLNIW-INIZCTEOSA-N 0 1 281.403 3.695 20 0 CHADMN CC(C)(C)[C@H](CO)Nc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001168562729 1118216767 /nfs/dbraw/zinc/21/67/67/1118216767.db2.gz VHNFURMGIFOOKN-INIZCTEOSA-N 0 1 283.375 3.535 20 0 CHADMN CCCC[C@H](CC)CC(=O)NCc1ccc2nc[nH]c2c1 ZINC000615788853 1128763361 /nfs/dbraw/zinc/76/33/61/1128763361.db2.gz DVQAPZWHICTJSP-ZDUSSCGKSA-N 0 1 287.407 3.786 20 0 CHADMN CC(C)c1cnc(CN[C@@H](C2CC2)[C@@H]2CCCCO2)s1 ZINC000655812334 1118219725 /nfs/dbraw/zinc/21/97/25/1118219725.db2.gz PDGVTCWFPUJIDG-BBRMVZONSA-N 0 1 294.464 3.704 20 0 CHADMN COc1c(C)cccc1CN[C@@H]1CCc2cc(F)ccc21 ZINC000655810114 1118220865 /nfs/dbraw/zinc/22/08/65/1118220865.db2.gz HVYONNAMPWSZAA-QGZVFWFLSA-N 0 1 285.362 3.920 20 0 CHADMN CCOc1cccc([C@H](C)NCc2cccc3c2OCC3)c1 ZINC000921621080 1118226407 /nfs/dbraw/zinc/22/64/07/1118226407.db2.gz ATBLUOUDSMXRDC-AWEZNQCLSA-N 0 1 297.398 3.871 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2cccc3c2OCC3)c1 ZINC000921621081 1118226924 /nfs/dbraw/zinc/22/69/24/1118226924.db2.gz ATBLUOUDSMXRDC-CQSZACIVSA-N 0 1 297.398 3.871 20 0 CHADMN C[C@@H]1CCN(C(=O)c2cccc3c[nH]nc32)[C@@H]2CCCC[C@@H]12 ZINC000615803781 1128763886 /nfs/dbraw/zinc/76/38/86/1128763886.db2.gz KRJACPMNVOXFSL-IVMMDQJWSA-N 0 1 297.402 3.604 20 0 CHADMN Cc1ccc(CCNCc2c(F)ccc(O)c2F)c(C)c1 ZINC000510297056 1118228420 /nfs/dbraw/zinc/22/84/20/1118228420.db2.gz JDUAYJHFMBFEQX-UHFFFAOYSA-N 0 1 291.341 3.620 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2cnn(C3CCC3)c2)c1 ZINC000921621695 1118228984 /nfs/dbraw/zinc/22/89/84/1118228984.db2.gz CTUIOKFRGIPOHJ-CQSZACIVSA-N 0 1 299.418 3.858 20 0 CHADMN COc1ccc([C@H](C)NCc2cnn(CC3CCC3)c2)cc1 ZINC000921621734 1118229312 /nfs/dbraw/zinc/22/93/12/1118229312.db2.gz NPBZXTNLXWBSNV-AWEZNQCLSA-N 0 1 299.418 3.543 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(F)c3cccnc23)o1 ZINC000042122122 1118234234 /nfs/dbraw/zinc/23/42/34/1118234234.db2.gz JHDANODTYKMFMA-UHFFFAOYSA-N 0 1 284.334 3.907 20 0 CHADMN CC(C)Oc1ccccc1NC(=O)c1cccc2[nH]ncc21 ZINC000042969296 1118243141 /nfs/dbraw/zinc/24/31/41/1118243141.db2.gz SDAHFRCLIDEOPW-UHFFFAOYSA-N 0 1 295.342 3.602 20 0 CHADMN Cc1cccc2c1OCC[C@@H]2NCc1ccnn1C1CCC1 ZINC000921634628 1118243823 /nfs/dbraw/zinc/24/38/23/1118243823.db2.gz PKBZNWNLNAMQET-KRWDZBQOSA-N 0 1 297.402 3.530 20 0 CHADMN COc1cc(NCc2cn[nH]c2C)c(C2CC2)cc1Cl ZINC000655862342 1118248896 /nfs/dbraw/zinc/24/88/96/1118248896.db2.gz BFUVFJINKGCJNI-UHFFFAOYSA-N 0 1 291.782 3.870 20 0 CHADMN CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186174446 1118250118 /nfs/dbraw/zinc/25/01/18/1118250118.db2.gz SSEBHZSCTIYZRB-NHYWBVRUSA-N 0 1 299.842 3.739 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2ncc(C(C)(C)C)o2)C1 ZINC000409445179 1118254077 /nfs/dbraw/zinc/25/40/77/1118254077.db2.gz JYRFMITZKPLJJV-NEPJUHHUSA-N 0 1 250.386 3.593 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1ncc(C(C)(C)C)o1 ZINC000409445196 1118254702 /nfs/dbraw/zinc/25/47/02/1118254702.db2.gz SGSAMPLHCYEVFD-NWDGAFQWSA-N 0 1 250.386 3.593 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1CCCc2ccc(F)cc21 ZINC000340444534 1118255252 /nfs/dbraw/zinc/25/52/52/1118255252.db2.gz QMBAMIKXJGETSK-QGZVFWFLSA-N 0 1 288.366 3.852 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000214153040 1118257112 /nfs/dbraw/zinc/25/71/12/1118257112.db2.gz WNJROGODKLABOT-CQSZACIVSA-N 0 1 279.355 3.679 20 0 CHADMN CCOc1ccccc1[C@@H](CC)NCc1ccc(F)nc1 ZINC000189022057 1128766551 /nfs/dbraw/zinc/76/65/51/1128766551.db2.gz WIQHDUMHOPSOTG-OAHLLOKOSA-N 0 1 288.366 3.860 20 0 CHADMN Cc1noc([C@@H](C)N2CCC[C@@](C)(c3ccccc3)CC2)n1 ZINC000671703864 1118273129 /nfs/dbraw/zinc/27/31/29/1118273129.db2.gz BQABVCDYYBKXJD-RDTXWAMCSA-N 0 1 299.418 3.883 20 0 CHADMN C[C@@H](F)CCN[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000340468668 1118273673 /nfs/dbraw/zinc/27/36/73/1118273673.db2.gz KRPWRUVITDMCTR-WBMJQRKESA-N 0 1 276.330 3.648 20 0 CHADMN COc1nc(C)cc(C)c1CNCc1ccc2occc2c1 ZINC000671708147 1118279820 /nfs/dbraw/zinc/27/98/20/1118279820.db2.gz DMEWQNGCPALMJE-UHFFFAOYSA-N 0 1 296.370 3.743 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](CO)c2ccccc2C)c(C)o1 ZINC000683691148 1118287148 /nfs/dbraw/zinc/28/71/48/1118287148.db2.gz URNQZOQFIZQPGY-CXAGYDPISA-N 0 1 273.376 3.589 20 0 CHADMN c1ccc(CSCC[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000349252492 1118289298 /nfs/dbraw/zinc/28/92/98/1118289298.db2.gz UBOKOTJILUMJTQ-UHFFFAOYSA-N 0 1 298.455 3.979 20 0 CHADMN c1ccc(CSCCN(Cc2cccnc2)C2CC2)cc1 ZINC000349252492 1118289303 /nfs/dbraw/zinc/28/93/03/1118289303.db2.gz UBOKOTJILUMJTQ-UHFFFAOYSA-N 0 1 298.455 3.979 20 0 CHADMN CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)c1cccc2ccccc21 ZINC001125393896 1118290374 /nfs/dbraw/zinc/29/03/74/1118290374.db2.gz IFWCNNAFECMRBT-SFHVURJKSA-N 0 1 296.414 3.675 20 0 CHADMN CCOC(=O)CCCSc1nc2ccc(Cl)cc2[nH]1 ZINC000058713906 1118291350 /nfs/dbraw/zinc/29/13/50/1118291350.db2.gz HASKMDRDTYZWQC-UHFFFAOYSA-N 0 1 298.795 3.652 20 0 CHADMN COc1ccccc1CN(C)CCOc1ccccc1C ZINC000058876242 1118293448 /nfs/dbraw/zinc/29/34/48/1118293448.db2.gz MNEQMBIVJCANOR-UHFFFAOYSA-N 0 1 285.387 3.514 20 0 CHADMN COc1cc(CNc2ccc3c(c2)nc(C)n3C)ccc1C ZINC000683706388 1118297792 /nfs/dbraw/zinc/29/77/92/1118297792.db2.gz VFTOCPPMHKFPDP-UHFFFAOYSA-N 0 1 295.386 3.811 20 0 CHADMN C[C@@H](CCc1ccsc1)NCc1nccc(C(F)F)n1 ZINC000348639081 1118298869 /nfs/dbraw/zinc/29/88/69/1118298869.db2.gz GBZLRHSKQVAMLT-JTQLQIEISA-N 0 1 297.374 3.587 20 0 CHADMN FC(F)Oc1ccc(CN2CCc3ccccc3C2)cc1 ZINC000060459832 1118299582 /nfs/dbraw/zinc/29/95/82/1118299582.db2.gz YTWVCTUPNIDJAF-UHFFFAOYSA-N 0 1 289.325 3.846 20 0 CHADMN CN(C)[C@@H](CNc1nc2ccccc2s1)c1ccco1 ZINC000060846756 1118302783 /nfs/dbraw/zinc/30/27/83/1118302783.db2.gz ZCMNWGUMTZZTGP-LBPRGKRZSA-N 0 1 287.388 3.604 20 0 CHADMN CC(C)N(Cc1nc2ccccc2n1C(F)F)C1CC1 ZINC000061165700 1118305441 /nfs/dbraw/zinc/30/54/41/1118305441.db2.gz OTQPBAANLOEZHP-UHFFFAOYSA-N 0 1 279.334 3.804 20 0 CHADMN CCO[C@@H]1C[C@H](NCc2c(F)cc(F)cc2F)C12CCC2 ZINC000340499769 1118307710 /nfs/dbraw/zinc/30/77/10/1118307710.db2.gz REKTUWPZXGOWMW-LSDHHAIUSA-N 0 1 299.336 3.541 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H]1CCCc2ccc(O)cc21 ZINC000340501329 1118308576 /nfs/dbraw/zinc/30/85/76/1118308576.db2.gz XHSIHPFQLLKIDG-PXAZEXFGSA-N 0 1 298.386 3.524 20 0 CHADMN COc1ccc(C)cc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000061761064 1118308740 /nfs/dbraw/zinc/30/87/40/1118308740.db2.gz ZYDDHNZLVIZPHT-CYBMUJFWSA-N 0 1 287.325 3.778 20 0 CHADMN Cc1ccc2c(c1C)OC[C@H]2N[C@@H](C)c1cccc(O)c1 ZINC000282255990 1118311280 /nfs/dbraw/zinc/31/12/80/1118311280.db2.gz JTFGUNZNETWYAS-SUMWQHHRSA-N 0 1 283.371 3.793 20 0 CHADMN Cc1ccc2c(c1C)OC[C@@H]2N[C@H](C)c1cccc(O)c1 ZINC000282255962 1118311364 /nfs/dbraw/zinc/31/13/64/1118311364.db2.gz JTFGUNZNETWYAS-DYVFJYSZSA-N 0 1 283.371 3.793 20 0 CHADMN COc1ccc(OC)c(CN[C@H]2CCc3cc(C)ccc32)c1 ZINC001649070423 1118312479 /nfs/dbraw/zinc/31/24/79/1118312479.db2.gz BILAOUCRCSSPNX-SFHVURJKSA-N 0 1 297.398 3.789 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1CCC[C@@H](C)CC1 ZINC000063309294 1118314847 /nfs/dbraw/zinc/31/48/47/1118314847.db2.gz ZFWBASYQPSUOQW-GFCCVEGCSA-N 0 1 294.826 3.709 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN1CCC2(CCC2)CC1 ZINC000671729470 1118314885 /nfs/dbraw/zinc/31/48/85/1118314885.db2.gz AIHJUCNEMIIHQC-UHFFFAOYSA-N 0 1 286.419 3.508 20 0 CHADMN Cc1ccccc1NC(=O)[C@H](C)N1CCC2(CCC2)CC1 ZINC000671729058 1118314916 /nfs/dbraw/zinc/31/49/16/1118314916.db2.gz KAGONPHGRVMLJH-HNNXBMFYSA-N 0 1 286.419 3.588 20 0 CHADMN Cc1cccc(NC(=O)[C@@H](C)N2CCC3(CCC3)CC2)c1 ZINC000671728154 1118315010 /nfs/dbraw/zinc/31/50/10/1118315010.db2.gz NOWYJAZNDSFDKF-OAHLLOKOSA-N 0 1 286.419 3.588 20 0 CHADMN CC[C@@H]1CC[C@@H](C)C[C@@H]1NCc1ncn(-c2ccccc2)n1 ZINC000340522790 1118316406 /nfs/dbraw/zinc/31/64/06/1118316406.db2.gz DWYHRASBIZLIHE-INMHGKMJSA-N 0 1 298.434 3.572 20 0 CHADMN Cc1nc(CN2CCC[C@H]2c2cccc(C)c2)oc1C ZINC000064247281 1118324265 /nfs/dbraw/zinc/32/42/65/1118324265.db2.gz FAUUREPXLSYXNC-INIZCTEOSA-N 0 1 270.376 3.937 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccco1 ZINC000671739597 1118326768 /nfs/dbraw/zinc/32/67/68/1118326768.db2.gz KDHCAWJIHLDSCY-VHSXEESVSA-N 0 1 272.304 3.538 20 0 CHADMN Fc1ccc(CN(Cc2ccco2)C2CCCC2)cn1 ZINC000189296344 1128770768 /nfs/dbraw/zinc/77/07/68/1128770768.db2.gz ZWFPSFFGWIZBML-UHFFFAOYSA-N 0 1 274.339 3.759 20 0 CHADMN CCC[C@@H](CN1CC2(CCC2)[C@@H]1c1ccco1)OC ZINC000639236322 1118336961 /nfs/dbraw/zinc/33/69/61/1118336961.db2.gz YLRDABBMIGGIPX-ZFWWWQNUSA-N 0 1 263.381 3.622 20 0 CHADMN Oc1ccc(-c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)cc1Cl ZINC000656047108 1118339784 /nfs/dbraw/zinc/33/97/84/1118339784.db2.gz DTWQVCNLKYMSRA-JMJZKYOTSA-N 0 1 290.750 3.999 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2ccc(F)nc2)cc1 ZINC000189295983 1128771143 /nfs/dbraw/zinc/77/11/43/1128771143.db2.gz JEZMHHXPTZOTGE-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN Cc1nc(CN2CCC[C@H]2c2ccccc2C)oc1C ZINC000066422510 1118344699 /nfs/dbraw/zinc/34/46/99/1118344699.db2.gz VHRSNTOCKNRXDW-INIZCTEOSA-N 0 1 270.376 3.937 20 0 CHADMN CC(C)Cc1ccc([C@H](NCc2cc[nH]n2)C2CC2)cc1 ZINC000066992181 1118349245 /nfs/dbraw/zinc/34/92/45/1118349245.db2.gz PKQCJAMUNZWZAH-SFHVURJKSA-N 0 1 283.419 3.849 20 0 CHADMN Cc1ccc(CN[C@H](C)c2n[nH]c(C(C)C)n2)c(Cl)c1 ZINC000565484727 1118354244 /nfs/dbraw/zinc/35/42/44/1118354244.db2.gz APNZLPPSCYEBFY-LLVKDONJSA-N 0 1 292.814 3.741 20 0 CHADMN CCOc1cccc([C@H](C)N[C@@H](c2nccn2C)C2CC2)c1 ZINC000671766537 1118359961 /nfs/dbraw/zinc/35/99/61/1118359961.db2.gz UFAFIHIBFOTCIO-SUMWQHHRSA-N 0 1 299.418 3.621 20 0 CHADMN COc1cc(C)c([C@H](C)N2CC(C(F)F)C2)cc1C ZINC000639252504 1118360358 /nfs/dbraw/zinc/36/03/58/1118360358.db2.gz IGRSOGYYDSEWGH-NSHDSACASA-N 0 1 269.335 3.570 20 0 CHADMN CC(C)[C@H](C)N(C(=O)c1cc(-c2ccccc2)[nH]n1)C1CC1 ZINC000069465761 1118369933 /nfs/dbraw/zinc/36/99/33/1118369933.db2.gz OZPAKSUDBIULEY-ZDUSSCGKSA-N 0 1 297.402 3.726 20 0 CHADMN Brc1ccc(CN2C3CCC2CC3)cc1 ZINC000307014706 1118370004 /nfs/dbraw/zinc/37/00/04/1118370004.db2.gz PIZDCZOUWSCCBO-UHFFFAOYSA-N 0 1 266.182 3.576 20 0 CHADMN CCOc1ncccc1CNCc1c(C)cc(C)cc1C ZINC000128878695 1118371680 /nfs/dbraw/zinc/37/16/80/1118371680.db2.gz ODWAXXQNWJFIPO-UHFFFAOYSA-N 0 1 284.403 3.695 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1ccsc1Br ZINC000706443884 1118374150 /nfs/dbraw/zinc/37/41/50/1118374150.db2.gz QWSWAQFKHFTHFS-DTORHVGOSA-N 0 1 274.227 3.883 20 0 CHADMN Cc1c(F)nccc1CNCc1cccc(C(F)F)c1 ZINC001118943935 1131243262 /nfs/dbraw/zinc/24/32/62/1131243262.db2.gz OLJFREOFDGAQLA-UHFFFAOYSA-N 0 1 280.293 3.757 20 0 CHADMN C[N@@H+](CC1CCC(F)(F)CC1)C1(C(=O)[O-])CCCCC1 ZINC000580096685 1118378563 /nfs/dbraw/zinc/37/85/63/1118378563.db2.gz NAZSHFUOFDMPBW-UHFFFAOYSA-N 0 1 289.366 3.531 20 0 CHADMN CO[C@H](c1ccccc1)[C@@H](C)NCc1cc(C(C)C)no1 ZINC000683819821 1118388352 /nfs/dbraw/zinc/38/83/52/1118388352.db2.gz YLMBWWAFMNTQLR-DYVFJYSZSA-N 0 1 288.391 3.664 20 0 CHADMN CCOc1ccc(CN(CC)Cc2ccoc2)cc1F ZINC000683829430 1118395943 /nfs/dbraw/zinc/39/59/43/1118395943.db2.gz DAPNKRKNQQYODK-UHFFFAOYSA-N 0 1 277.339 3.840 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc3cnccc3c2)n1 ZINC000683831104 1118398177 /nfs/dbraw/zinc/39/81/77/1118398177.db2.gz IZELIRUAAVLQGT-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN CCCC[C@@H](CC)C[N@@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000580206046 1118401443 /nfs/dbraw/zinc/40/14/43/1118401443.db2.gz MLXJZKPJGZCCRO-ZIAGYGMSSA-N 0 1 257.418 3.634 20 0 CHADMN CCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1 ZINC000257354331 1118402071 /nfs/dbraw/zinc/40/20/71/1118402071.db2.gz XCNFUFQBEBHMIA-UHFFFAOYSA-N 0 1 285.303 3.527 20 0 CHADMN O[C@H](CN(Cc1ccccc1F)C1CC1)c1ccccc1 ZINC000036031485 1118424199 /nfs/dbraw/zinc/42/41/99/1118424199.db2.gz SJZIXAXKIVEFPG-GOSISDBHSA-N 0 1 285.362 3.524 20 0 CHADMN CC(C)(CO)[C@@H](NCc1ccccc1F)c1ccccc1 ZINC000683889061 1118428798 /nfs/dbraw/zinc/42/87/98/1118428798.db2.gz IZGHZUIKSHXKPD-KRWDZBQOSA-N 0 1 287.378 3.675 20 0 CHADMN Cc1nc(C)c(C[N@H+]2CCSC3(CCCCC3)C2)o1 ZINC000683898603 1118432479 /nfs/dbraw/zinc/43/24/79/1118432479.db2.gz PMOBVROTQJPRKG-UHFFFAOYSA-N 0 1 280.437 3.543 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@H]2c2cccc(F)c2)o1 ZINC000683899745 1118434208 /nfs/dbraw/zinc/43/42/08/1118434208.db2.gz ZAEBLPUMTFTJJX-HNNXBMFYSA-N 0 1 274.339 3.768 20 0 CHADMN O=C([O-])CC[N@@H+](CCC1CCCCCC1)CC1CC1 ZINC000656190982 1118435028 /nfs/dbraw/zinc/43/50/28/1118435028.db2.gz YXHWXPMNJGHFMF-UHFFFAOYSA-N 0 1 267.413 3.534 20 0 CHADMN CC(C)(NC/C=C\c1ccc(F)cc1)c1nccs1 ZINC000255474630 1118438420 /nfs/dbraw/zinc/43/84/20/1118438420.db2.gz LNASAWSRRGPHKR-ARJAWSKDSA-N 0 1 276.380 3.820 20 0 CHADMN CCCn1ncnc1CN1CCC[C@@H]1CC1CCCCC1 ZINC000580400337 1118445734 /nfs/dbraw/zinc/44/57/34/1118445734.db2.gz UPFFKCWDKUJJAZ-MRXNPFEDSA-N 0 1 290.455 3.623 20 0 CHADMN Cc1cccc2nc(C[NH2+]Cc3cc4ccccc4[nH]3)[nH]c21 ZINC000683929830 1118448370 /nfs/dbraw/zinc/44/83/70/1118448370.db2.gz GAVVGVKPYYKUGF-UHFFFAOYSA-N 0 1 290.370 3.642 20 0 CHADMN Cc1cccc2nc(CNCc3cc4ccccc4[nH]3)[nH]c21 ZINC000683929830 1118448372 /nfs/dbraw/zinc/44/83/72/1118448372.db2.gz GAVVGVKPYYKUGF-UHFFFAOYSA-N 0 1 290.370 3.642 20 0 CHADMN CC[C@](C)(NCc1ncccc1C)c1ccc(F)cc1 ZINC000639359942 1118460571 /nfs/dbraw/zinc/46/05/71/1118460571.db2.gz RFNTZAGRZUVUSR-KRWDZBQOSA-N 0 1 272.367 3.944 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](CO)c2ccsc2)c(C)s1 ZINC000349328264 1118465401 /nfs/dbraw/zinc/46/54/01/1118465401.db2.gz XWMDJWQCNCEWBV-YGRLFVJLSA-N 0 1 281.446 3.811 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N(Cc1cncnc1)C1CC1 ZINC000129872947 1118464817 /nfs/dbraw/zinc/46/48/17/1118464817.db2.gz UMGTYVTVFZRYNZ-LBPRGKRZSA-N 0 1 287.794 3.856 20 0 CHADMN COC[C@H](NC/C=C\c1ccccc1)c1ccc(C)o1 ZINC000255552446 1118465271 /nfs/dbraw/zinc/46/52/71/1118465271.db2.gz YSNKTTRPJOHYJS-HWYHOQROSA-N 0 1 271.360 3.579 20 0 CHADMN CC(C)Cc1ccc([C@@H]([NH2+]Cc2c[nH]cn2)C2CC2)cc1 ZINC000580509347 1118471266 /nfs/dbraw/zinc/47/12/66/1118471266.db2.gz HXEPXFZCPMVSKS-GOSISDBHSA-N 0 1 283.419 3.849 20 0 CHADMN Cc1noc(C)c1CCCNCc1csc(C(C)C)n1 ZINC000084959302 1118471340 /nfs/dbraw/zinc/47/13/40/1118471340.db2.gz ACIWAYXWSSXSAM-UHFFFAOYSA-N 0 1 293.436 3.594 20 0 CHADMN Cc1oncc1CN[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000129927282 1118473766 /nfs/dbraw/zinc/47/37/66/1118473766.db2.gz QWXYJSMNHXBVNB-HNNXBMFYSA-N 0 1 276.355 3.999 20 0 CHADMN COCC1(C2CC2)CN(Cc2ccccc2C(F)(F)F)C1 ZINC000639380115 1118476314 /nfs/dbraw/zinc/47/63/14/1118476314.db2.gz ODGJEANDMHDFEY-UHFFFAOYSA-N 0 1 299.336 3.564 20 0 CHADMN CC(=O)c1sc(C(C)(C)C)cc1Nc1cncn1C ZINC001211245567 1118486266 /nfs/dbraw/zinc/48/62/66/1118486266.db2.gz PFVUXXDKANOYPX-UHFFFAOYSA-N 0 1 277.393 3.725 20 0 CHADMN Cn1cncc1Nc1cc(Cl)c(F)c(C(F)(F)F)c1 ZINC001211251560 1118488080 /nfs/dbraw/zinc/48/80/80/1118488080.db2.gz JQOPCPPLQRECGV-UHFFFAOYSA-N 0 1 293.651 3.975 20 0 CHADMN c1nc(C2CC2)sc1CN1CCC[C@@H](OC2CCC2)C1 ZINC000656271209 1118489321 /nfs/dbraw/zinc/48/93/21/1118489321.db2.gz FIDPUYVOWMPIFD-CQSZACIVSA-N 0 1 292.448 3.554 20 0 CHADMN COc1cnccc1Nc1cc(OC)c(Cl)cc1Cl ZINC001211259952 1118490494 /nfs/dbraw/zinc/49/04/94/1118490494.db2.gz FOBJVRJUWYPABO-UHFFFAOYSA-N 0 1 299.157 3.571 20 0 CHADMN COc1cnccc1Nc1ccccc1-c1ccccc1N ZINC001211263344 1118492478 /nfs/dbraw/zinc/49/24/78/1118492478.db2.gz MCNJPVLRSOYOFA-UHFFFAOYSA-N 0 1 291.354 3.505 20 0 CHADMN Oc1cc(F)c(-c2cnccc2C(F)(F)F)cc1F ZINC001211339458 1118505417 /nfs/dbraw/zinc/50/54/17/1118505417.db2.gz PEDHDZBPZUJYCJ-UHFFFAOYSA-N 0 1 275.176 3.751 20 0 CHADMN CCCCN(CC)Cc1nc(-c2cccc(C)c2)no1 ZINC000048056630 1118506523 /nfs/dbraw/zinc/50/65/23/1118506523.db2.gz FLIFJFFDUFMKPE-UHFFFAOYSA-N 0 1 273.380 3.667 20 0 CHADMN CCC[C@@H](C)N(C)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000048070673 1118507137 /nfs/dbraw/zinc/50/71/37/1118507137.db2.gz CZDVHAYPYASPOW-CYBMUJFWSA-N 0 1 273.380 3.665 20 0 CHADMN CCC[C@H](C)N(C)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000048070674 1118507246 /nfs/dbraw/zinc/50/72/46/1118507246.db2.gz CZDVHAYPYASPOW-ZDUSSCGKSA-N 0 1 273.380 3.665 20 0 CHADMN CCC(CC)(CC)c1nc([C@@H](N)CC(C)C)no1 ZINC000647133366 1118510373 /nfs/dbraw/zinc/51/03/73/1118510373.db2.gz BOLVIASRTVSUQP-NSHDSACASA-N 0 1 253.390 3.583 20 0 CHADMN CCC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])oc1C ZINC000580838726 1118512702 /nfs/dbraw/zinc/51/27/02/1118512702.db2.gz SIFROIVHHCAFKR-CQSZACIVSA-N 0 1 279.380 3.687 20 0 CHADMN C[C@@H]1CC=C(c2nc(-c3ccc4[nH]cnc4c3)no2)CC1 ZINC000580875258 1118514916 /nfs/dbraw/zinc/51/49/16/1118514916.db2.gz BFZIWEYMRXCPFM-SNVBAGLBSA-N 0 1 280.331 3.816 20 0 CHADMN C[C@H]1CC=C(c2nc(-c3ccc4[nH]cnc4c3)no2)CC1 ZINC000580875256 1118515033 /nfs/dbraw/zinc/51/50/33/1118515033.db2.gz BFZIWEYMRXCPFM-JTQLQIEISA-N 0 1 280.331 3.816 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](C)c2ccc3c(c2)OCO3)o1 ZINC000127339386 1118519118 /nfs/dbraw/zinc/51/91/18/1118519118.db2.gz FGCISQIBNYIYNE-RYUDHWBXSA-N 0 1 287.359 3.983 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](CO)c2ccsc2)c(C)c1 ZINC000349356591 1118520686 /nfs/dbraw/zinc/52/06/86/1118520686.db2.gz QXJTZUKFQBBPSP-XJKSGUPXSA-N 0 1 275.417 3.749 20 0 CHADMN CCc1ncc(CNCc2ccc(Cl)s2)s1 ZINC000070599744 1118530444 /nfs/dbraw/zinc/53/04/44/1118530444.db2.gz MLBKQCPHGAKYJX-UHFFFAOYSA-N 0 1 272.826 3.710 20 0 CHADMN Cc1ccc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1F ZINC000580994270 1118532553 /nfs/dbraw/zinc/53/25/53/1118532553.db2.gz KONGLQKPICJATQ-HZPDHXFCSA-N 0 1 277.383 3.524 20 0 CHADMN CCCCC[C@H](NC)c1nc(-c2ccccc2C)no1 ZINC001212281085 1128783810 /nfs/dbraw/zinc/78/38/10/1128783810.db2.gz GNLRYKSWXFAHCS-AWEZNQCLSA-N 0 1 273.380 3.886 20 0 CHADMN CC1(C)[C@@H](c2ccccc2)CC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000581016734 1118534057 /nfs/dbraw/zinc/53/40/57/1118534057.db2.gz CWBYMWCDUISVJZ-OAHLLOKOSA-N 0 1 287.403 3.509 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1ccc2c(n1)CCC2 ZINC000656413220 1118542910 /nfs/dbraw/zinc/54/29/10/1118542910.db2.gz IWEPVYSPCHKOAJ-GFCCVEGCSA-N 0 1 272.417 3.825 20 0 CHADMN c1ccc(C2=C(c3nc([C@H]4CCCN4)no3)CCCC2)cc1 ZINC000647144091 1118546022 /nfs/dbraw/zinc/54/60/22/1118546022.db2.gz MECZDJZVJIAJTG-MRXNPFEDSA-N 0 1 295.386 3.979 20 0 CHADMN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc([C@@H]2CCCN2)no1 ZINC000647149072 1118553834 /nfs/dbraw/zinc/55/38/34/1118553834.db2.gz CYGXMTGWNAKQBS-MQYQWHSLSA-N 0 1 293.411 3.541 20 0 CHADMN Brc1ccccc1CN1CCC12CCCC2 ZINC000706886702 1118560952 /nfs/dbraw/zinc/56/09/52/1118560952.db2.gz RZJUUMSXMXJNSZ-UHFFFAOYSA-N 0 1 280.209 3.968 20 0 CHADMN Cc1occc1CNCc1ccc(Cl)c(F)c1 ZINC000068366303 1118563754 /nfs/dbraw/zinc/56/37/54/1118563754.db2.gz GQETYLMFSMVQIB-UHFFFAOYSA-N 0 1 253.704 3.670 20 0 CHADMN CO[C@@H]1CCC[C@@H]1CNc1ccnc2cc(F)ccc21 ZINC000340996629 1118575022 /nfs/dbraw/zinc/57/50/22/1118575022.db2.gz PJILPTWHAUIZSR-BDJLRTHQSA-N 0 1 274.339 3.601 20 0 CHADMN Cc1cc(F)cc(NC(=O)c2cc(Cl)ccc2O)c1 ZINC000091516323 1118580696 /nfs/dbraw/zinc/58/06/96/1118580696.db2.gz IRTRYEZZBOVTNU-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1nc2cccnc2s1 ZINC000341048039 1118593528 /nfs/dbraw/zinc/59/35/28/1118593528.db2.gz CBEDCQVQAFSNNU-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN FC(F)(F)CC1CN(Cc2nccc3ccccc32)C1 ZINC000656686473 1118635728 /nfs/dbraw/zinc/63/57/28/1118635728.db2.gz OIHXDHNKDRTIAU-UHFFFAOYSA-N 0 1 280.293 3.619 20 0 CHADMN FC(F)(F)CC1CN(Cc2ccc(C3CC3)cc2)C1 ZINC000656688068 1118635815 /nfs/dbraw/zinc/63/58/15/1118635815.db2.gz FAGSXHCIVYXRFK-UHFFFAOYSA-N 0 1 269.310 3.948 20 0 CHADMN CC(C)n1nccc1CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000684358423 1118646574 /nfs/dbraw/zinc/64/65/74/1118646574.db2.gz VBQGZNVLJJSEPZ-QGZVFWFLSA-N 0 1 285.391 3.507 20 0 CHADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656761117 1118650732 /nfs/dbraw/zinc/65/07/32/1118650732.db2.gz MCBYBSGRCQJVAG-SJORKVTESA-N 0 1 287.403 3.715 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@H](C3CCCCC3)C2)s1 ZINC000656762006 1118650768 /nfs/dbraw/zinc/65/07/68/1118650768.db2.gz YVCNRGOKEOFJIM-ZDUSSCGKSA-N 0 1 293.432 3.849 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656761950 1118650943 /nfs/dbraw/zinc/65/09/43/1118650943.db2.gz WWRPLRLNFKRKDK-OAHLLOKOSA-N 0 1 287.403 3.787 20 0 CHADMN CCC1(CC)CCC[N@@H+](CCc2ccccc2C(=O)[O-])C1 ZINC000656763318 1118651784 /nfs/dbraw/zinc/65/17/84/1118651784.db2.gz MMFDGUVMIQNDJK-UHFFFAOYSA-N 0 1 289.419 3.830 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2ccc3c(c2)OCO3)s1 ZINC000090401776 1118656035 /nfs/dbraw/zinc/65/60/35/1118656035.db2.gz XVGJJRQKWNLYTB-ZJUUUORDSA-N 0 1 290.388 3.592 20 0 CHADMN CCCCOc1ccccc1CNCc1cccc(N)c1 ZINC000656787695 1118658769 /nfs/dbraw/zinc/65/87/69/1118658769.db2.gz SBCGZVBICBBFRK-UHFFFAOYSA-N 0 1 284.403 3.738 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nc(C(C)(C)C)co1 ZINC000891445550 1118661308 /nfs/dbraw/zinc/66/13/08/1118661308.db2.gz WOZKGEWFQXOMMN-GFCCVEGCSA-N 0 1 250.386 3.737 20 0 CHADMN COc1cccc(CNC2([C@H]3CCCCO3)CC2)c1Cl ZINC000933370342 1118671164 /nfs/dbraw/zinc/67/11/64/1118671164.db2.gz ACDIATYTSWCYJJ-CQSZACIVSA-N 0 1 295.810 3.540 20 0 CHADMN CCN(Cc1ccccc1)Cc1cnc(F)cc1C ZINC000891450414 1118679841 /nfs/dbraw/zinc/67/98/41/1118679841.db2.gz HNHXIGIGUGMNSW-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cn(C(C)C)nc1C ZINC000341390601 1118685780 /nfs/dbraw/zinc/68/57/80/1118685780.db2.gz CXBNIRXTHAZFLR-AWEZNQCLSA-N 0 1 286.423 3.581 20 0 CHADMN COc1cccc([C@@H](C)NCc2cc(C)cc(C)n2)c1 ZINC000723661678 1118696708 /nfs/dbraw/zinc/69/67/08/1118696708.db2.gz ZXMLDFNPXIAXLX-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN CC[C@@H]1CN(c2cc(C)nc3ccc(F)cc32)CCCO1 ZINC000341412261 1118697122 /nfs/dbraw/zinc/69/71/22/1118697122.db2.gz SAYOVPXSQWYQFQ-CQSZACIVSA-N 0 1 288.366 3.688 20 0 CHADMN Cc1ccccc1[C@H](NCc1nccn1C)C(C)(C)C ZINC000080347457 1118699375 /nfs/dbraw/zinc/69/93/75/1118699375.db2.gz ZMONYNCLQRVHEV-INIZCTEOSA-N 0 1 271.408 3.606 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2ccc(F)cc2)o1 ZINC000891535828 1118703998 /nfs/dbraw/zinc/70/39/98/1118703998.db2.gz GUCYVCBJIKMJFJ-NSHDSACASA-N 0 1 263.312 3.620 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cnc(F)cc2C)cc1 ZINC000891564473 1118711128 /nfs/dbraw/zinc/71/11/28/1118711128.db2.gz BOEMTDPGSHPUKP-CYBMUJFWSA-N 0 1 288.366 3.731 20 0 CHADMN Cc1cc(F)ncc1CN1CCC[C@@H]1c1ccsc1 ZINC000891617377 1118721976 /nfs/dbraw/zinc/72/19/76/1118721976.db2.gz GQIVOHYWWDVLHW-CQSZACIVSA-N 0 1 276.380 3.928 20 0 CHADMN CCN(Cc1nc(C(C)(C)C)co1)C1CCCC1 ZINC000891619396 1118722758 /nfs/dbraw/zinc/72/27/58/1118722758.db2.gz NYBWXFNDQVOQEF-UHFFFAOYSA-N 0 1 250.386 3.737 20 0 CHADMN Cc1ncc(CN(Cc2ccco2)C2CCCC2)o1 ZINC000628132290 1118724753 /nfs/dbraw/zinc/72/47/53/1118724753.db2.gz BJKOOPMZIVSHFW-UHFFFAOYSA-N 0 1 260.337 3.521 20 0 CHADMN CCN(Cc1cnn(C2CCC2)c1)Cc1ccc(OC)cc1 ZINC000891627145 1118726029 /nfs/dbraw/zinc/72/60/29/1118726029.db2.gz SZZVKKWEAVFLFT-UHFFFAOYSA-N 0 1 299.418 3.639 20 0 CHADMN COc1cc(F)c(F)cc1CN1C2CCCC1CCC2 ZINC001143402692 1118730966 /nfs/dbraw/zinc/73/09/66/1118730966.db2.gz MXPJVEICMJEUIO-UHFFFAOYSA-N 0 1 281.346 3.880 20 0 CHADMN C[C@@H](C1CC1)N(Cc1nc(C(C)(C)C)co1)C1CC1 ZINC000891668314 1118734570 /nfs/dbraw/zinc/73/45/70/1118734570.db2.gz NVLOWVFQZJWHQI-NSHDSACASA-N 0 1 262.397 3.735 20 0 CHADMN CCCc1ccc(CNCc2ccc(C)c(C)n2)cc1 ZINC000657000316 1118735059 /nfs/dbraw/zinc/73/50/59/1118735059.db2.gz ZHWVMGLPYYRRSQ-UHFFFAOYSA-N 0 1 268.404 3.941 20 0 CHADMN COc1cc(C)ccc1CN[C@H](C)c1cnc(C)s1 ZINC000090419313 1118735912 /nfs/dbraw/zinc/73/59/12/1118735912.db2.gz XSROAGDEYUYWCH-LLVKDONJSA-N 0 1 276.405 3.619 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H](CC(F)(F)F)c2ccc(F)cc2)CO1 ZINC000647198514 1118739022 /nfs/dbraw/zinc/73/90/22/1118739022.db2.gz JQWUFVDBFVJRJG-OASPWFOLSA-N 0 1 291.288 3.586 20 0 CHADMN CC(C)[C@@H]1CCCC[N@H+]1Cc1nc2cccnc2s1 ZINC000341562133 1118743210 /nfs/dbraw/zinc/74/32/10/1118743210.db2.gz DLVJAFFTDDBTNG-ZDUSSCGKSA-N 0 1 275.421 3.702 20 0 CHADMN Cc1cc(CN2CCC(OCCC(C)C)CC2)cnc1F ZINC000891725765 1118751409 /nfs/dbraw/zinc/75/14/09/1118751409.db2.gz UHXLFPSITPKMLG-UHFFFAOYSA-N 0 1 294.414 3.556 20 0 CHADMN CC(C)Cn1nccc1CN1CC([C@@H]2CCC[C@@H](C)C2)C1 ZINC001207233372 1118761710 /nfs/dbraw/zinc/76/17/10/1118761710.db2.gz FWKKHRLNAXPBMH-HZPDHXFCSA-N 0 1 289.467 3.797 20 0 CHADMN CC(C)Cn1nccc1CN1CC([C@H]2CCC[C@@H](C)C2)C1 ZINC001207233370 1118761867 /nfs/dbraw/zinc/76/18/67/1118761867.db2.gz FWKKHRLNAXPBMH-CVEARBPZSA-N 0 1 289.467 3.797 20 0 CHADMN COc1ccc(Br)c(CN(C)C[C@H]2C[C@H]2C)c1 ZINC000087798520 1118768329 /nfs/dbraw/zinc/76/83/29/1118768329.db2.gz JSAMZUFARKUCAV-GHMZBOCLSA-N 0 1 298.224 3.546 20 0 CHADMN Oc1ccc([C@@H]2CCCN2Cc2cnn(C3CCC3)c2)cc1 ZINC000891796238 1118777562 /nfs/dbraw/zinc/77/75/62/1118777562.db2.gz KTNQHJQDVGOVFH-SFHVURJKSA-N 0 1 297.402 3.651 20 0 CHADMN CC(C)CCCN(C)Cc1nc(-c2cccs2)no1 ZINC000510631436 1118778809 /nfs/dbraw/zinc/77/88/09/1118778809.db2.gz FMJCNBSLVSIUJX-UHFFFAOYSA-N 0 1 279.409 3.666 20 0 CHADMN CCC[C@@H](C)C[N@H+]1CCCC[C@H]1c1nccn1CC ZINC000430869494 1118779984 /nfs/dbraw/zinc/77/99/84/1118779984.db2.gz XZFGXSZGIZPGDD-CABCVRRESA-N 0 1 263.429 3.866 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2CCc3ccc(Cl)cc32)o1 ZINC000426332976 1118783110 /nfs/dbraw/zinc/78/31/10/1118783110.db2.gz YCDAPSCSQAGMGF-CQSZACIVSA-N 0 1 290.794 3.976 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H](c2ccccc2C)C(C)(C)C)c1C ZINC000430898985 1118784139 /nfs/dbraw/zinc/78/41/39/1118784139.db2.gz YKMGHPFDUDIBCX-INIZCTEOSA-N 0 1 299.418 3.852 20 0 CHADMN CCc1oc2ccccc2c1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000510675688 1118787201 /nfs/dbraw/zinc/78/72/01/1118787201.db2.gz RYWVQCWVRMEBPA-MAUKXSAKSA-N 0 1 285.387 3.749 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCC(C)(C)C1 ZINC000091528006 1118794228 /nfs/dbraw/zinc/79/42/28/1118794228.db2.gz HLOXILVOSQUBAF-UHFFFAOYSA-N 0 1 275.392 3.520 20 0 CHADMN CC[C@@H](N[C@H](C)CCc1ccc(OC)cc1)C(F)F ZINC000449364742 1118797370 /nfs/dbraw/zinc/79/73/70/1118797370.db2.gz SWICIQFNSCFXOS-BXUZGUMPSA-N 0 1 271.351 3.650 20 0 CHADMN C[C@H]1C[N@@H+](CC2CCCCCC2)C[C@H](C(F)(F)F)O1 ZINC001167493365 1118798430 /nfs/dbraw/zinc/79/84/30/1118798430.db2.gz YGBXCAHZJHDRDJ-WCQYABFASA-N 0 1 279.346 3.608 20 0 CHADMN C[C@H]1CN(CC2CCCCCC2)C[C@H](C(F)(F)F)O1 ZINC001167493365 1118798431 /nfs/dbraw/zinc/79/84/31/1118798431.db2.gz YGBXCAHZJHDRDJ-WCQYABFASA-N 0 1 279.346 3.608 20 0 CHADMN COc1ccc(C2(NCc3sc(C)nc3C)CC2)cc1 ZINC000341703380 1118802483 /nfs/dbraw/zinc/80/24/83/1118802483.db2.gz LVHAKKLSAVFBBL-UHFFFAOYSA-N 0 1 288.416 3.547 20 0 CHADMN CC(C)[C@@H](CC1CCCCC1)C(=O)N(C)Cc1cnc[nH]1 ZINC000616925726 1128802082 /nfs/dbraw/zinc/80/20/82/1128802082.db2.gz OLBSGXVMGHHKHE-MRXNPFEDSA-N 0 1 291.439 3.611 20 0 CHADMN C[C@H](CCC(C)(C)C)NCc1nccc(C(F)F)n1 ZINC000348704504 1118814381 /nfs/dbraw/zinc/81/43/81/1118814381.db2.gz RHUHSIAASHSQIL-SNVBAGLBSA-N 0 1 271.355 3.719 20 0 CHADMN C[C@@H](F)CCN(C)[C@]1(c2ccccc2)CCCCC1=O ZINC000510794990 1118818547 /nfs/dbraw/zinc/81/85/47/1118818547.db2.gz FSVRJOIHRNJXBN-PBHICJAKSA-N 0 1 277.383 3.705 20 0 CHADMN COc1ccc(F)c(F)c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001143412057 1118820179 /nfs/dbraw/zinc/82/01/79/1118820179.db2.gz FWUIFWRJXPGRQZ-RISCZKNCSA-N 0 1 281.346 3.738 20 0 CHADMN COc1ccc(F)c(F)c1CN1CCC[C@H]2CCC[C@@H]21 ZINC001143412057 1118820186 /nfs/dbraw/zinc/82/01/86/1118820186.db2.gz FWUIFWRJXPGRQZ-RISCZKNCSA-N 0 1 281.346 3.738 20 0 CHADMN Cc1ncsc1CCN(C)Cc1cc(Cl)ccc1F ZINC000510811890 1118822938 /nfs/dbraw/zinc/82/29/38/1118822938.db2.gz QBBBPSQWOTWZBV-UHFFFAOYSA-N 0 1 298.814 3.919 20 0 CHADMN CN(Cc1cccs1)c1cc[nH+]c2c([O-])cccc12 ZINC000684565847 1118846464 /nfs/dbraw/zinc/84/64/64/1118846464.db2.gz LJNWAGLJNNUYEA-UHFFFAOYSA-N 0 1 270.357 3.638 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@@H]1CC[C@@H](C)C1 ZINC000779260194 1128804639 /nfs/dbraw/zinc/80/46/39/1128804639.db2.gz TXMZSAPOSFORMZ-BXUZGUMPSA-N 0 1 284.359 3.731 20 0 CHADMN [O-]c1cccc2c(NCCOC3CCCCC3)cc[nH+]c12 ZINC000684570959 1118853240 /nfs/dbraw/zinc/85/32/40/1118853240.db2.gz AKUMDGFIWLLWAP-UHFFFAOYSA-N 0 1 286.375 3.702 20 0 CHADMN [O-]c1cccc2c(N3CC[C@@H](c4ccccc4)C3)cc[nH+]c12 ZINC000684571654 1118855595 /nfs/dbraw/zinc/85/55/95/1118855595.db2.gz NXYNSRCJCAEQAW-OAHLLOKOSA-N 0 1 290.366 3.934 20 0 CHADMN Cc1cccc(CN2CCO[C@H](c3cccs3)C2)c1C ZINC000092593982 1118857625 /nfs/dbraw/zinc/85/76/25/1118857625.db2.gz ORWVPZUPFUVYBU-INIZCTEOSA-N 0 1 287.428 3.938 20 0 CHADMN C[C@]1(CNc2cc[nH+]c3c([O-])cccc23)CCCS1 ZINC000684574781 1118858963 /nfs/dbraw/zinc/85/89/63/1118858963.db2.gz BIEGZFBPWWTVBV-OAHLLOKOSA-N 0 1 274.389 3.638 20 0 CHADMN [O-]c1cccc2c(N3CC[C@H](c4ccco4)C3)cc[nH+]c12 ZINC000684573652 1118859739 /nfs/dbraw/zinc/85/97/39/1118859739.db2.gz VLVYLFNHKINFPJ-LBPRGKRZSA-N 0 1 280.327 3.527 20 0 CHADMN CC(C)[C@@H]1C[C@H](Nc2cc[nH+]c3c([O-])cccc23)CCO1 ZINC000684581696 1118868923 /nfs/dbraw/zinc/86/89/23/1118868923.db2.gz ZXMWHGUNPBFHBS-WBMJQRKESA-N 0 1 286.375 3.556 20 0 CHADMN C[C@H]1C[C@@H](CCNc2cc[nH+]c3c([O-])cccc23)CCO1 ZINC000684582176 1118870528 /nfs/dbraw/zinc/87/05/28/1118870528.db2.gz WPZXECKZWAAHPN-STQMWFEESA-N 0 1 286.375 3.558 20 0 CHADMN Cc1ccc2[nH]c(CNCc3ccco3)cc2c1C ZINC000471976125 1118873594 /nfs/dbraw/zinc/87/35/94/1118873594.db2.gz DOKLMJVTLXPKDB-UHFFFAOYSA-N 0 1 254.333 3.668 20 0 CHADMN Cc1cccc(CN[C@H]2CCc3ccc(Cl)cc32)n1 ZINC000535710134 1118877863 /nfs/dbraw/zinc/87/78/63/1118877863.db2.gz GXGKPBSREKILCL-INIZCTEOSA-N 0 1 272.779 3.821 20 0 CHADMN C[C@@]1(F)CCN(CCCOc2ccc(Cl)cc2)C1 ZINC000535757311 1118883466 /nfs/dbraw/zinc/88/34/66/1118883466.db2.gz MEEQBSLZOQPMKN-CQSZACIVSA-N 0 1 271.763 3.543 20 0 CHADMN C[C@@H](N[C@H](CCO)C1CCCC1)c1ncc(C(C)(C)C)o1 ZINC000934012847 1118892086 /nfs/dbraw/zinc/89/20/86/1118892086.db2.gz YAJGPKZHCVEZPC-TZMCWYRMSA-N 0 1 294.439 3.564 20 0 CHADMN CCCCc1noc(CN[C@@H](C)[C@H](C)c2ccccc2)n1 ZINC000181537213 1118918407 /nfs/dbraw/zinc/91/84/07/1118918407.db2.gz SZRRQVOODDXNPK-KBPBESRZSA-N 0 1 287.407 3.694 20 0 CHADMN CC1(C)C[C@H](Sc2n[nH]c(CCC3CCCC3)n2)CO1 ZINC000657243328 1118932137 /nfs/dbraw/zinc/93/21/37/1118932137.db2.gz SNASMHBVLLDTBT-LBPRGKRZSA-N 0 1 295.452 3.587 20 0 CHADMN CC1(C)C[C@H](Sc2nc(CCC3CCCC3)n[nH]2)CO1 ZINC000657243328 1118932140 /nfs/dbraw/zinc/93/21/40/1118932140.db2.gz SNASMHBVLLDTBT-LBPRGKRZSA-N 0 1 295.452 3.587 20 0 CHADMN Fc1cccc(CCCNCc2ncc(Cl)s2)c1 ZINC000349658033 1118938121 /nfs/dbraw/zinc/93/81/21/1118938121.db2.gz XSVAIMQOJKGAHP-UHFFFAOYSA-N 0 1 284.787 3.658 20 0 CHADMN Cn1ccnc1CN[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000342234819 1118950195 /nfs/dbraw/zinc/95/01/95/1118950195.db2.gz ZCISQQNRUBHQFA-QGZVFWFLSA-N 0 1 287.382 3.580 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CN1CCC(C(F)F)CC1 ZINC000892057984 1118952029 /nfs/dbraw/zinc/95/20/29/1118952029.db2.gz OZDSJRGUIIQGCG-UHFFFAOYSA-N 0 1 285.382 3.558 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2nc(C(C)(C)C)co2)C1 ZINC000892069594 1118955737 /nfs/dbraw/zinc/95/57/37/1118955737.db2.gz NWMYVFPFLLURRN-NEPJUHHUSA-N 0 1 250.386 3.593 20 0 CHADMN Cc1nc(CN[C@@H](C)Cc2ccc(F)cc2Cl)cs1 ZINC000643344744 1118963826 /nfs/dbraw/zinc/96/38/26/1118963826.db2.gz FWYHFFNAPHOPJQ-VIFPVBQESA-N 0 1 298.814 3.965 20 0 CHADMN Fc1ccc(CN[C@@H]2CCc3ccccc32)c(F)c1F ZINC000657295170 1118964730 /nfs/dbraw/zinc/96/47/30/1118964730.db2.gz JTTBAGCUWWGARX-CQSZACIVSA-N 0 1 277.289 3.881 20 0 CHADMN C[C@H](NCc1ccc(N2CCCCC2=O)cc1)c1ccoc1 ZINC000178509021 1118969670 /nfs/dbraw/zinc/96/96/70/1118969670.db2.gz ISONAQGIHQKBJU-AWEZNQCLSA-N 0 1 298.386 3.647 20 0 CHADMN Fc1cccc(CNCc2cccc(OC3CC3)c2F)c1 ZINC000657301278 1118971076 /nfs/dbraw/zinc/97/10/76/1118971076.db2.gz YLFVVGFZTJCXCZ-UHFFFAOYSA-N 0 1 289.325 3.796 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(-c2cscc2C)no1 ZINC000386531304 1118977072 /nfs/dbraw/zinc/97/70/72/1118977072.db2.gz ZQFSCQAFDDQENM-NSHDSACASA-N 0 1 279.409 3.803 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2nc3cc(F)ccc3o2)C1 ZINC000151896523 1118979031 /nfs/dbraw/zinc/97/90/31/1118979031.db2.gz PQYNAECIWVFWSP-MNOVXSKESA-N 0 1 262.328 3.587 20 0 CHADMN Cc1ncc(CN(C)[C@H](C)c2ccc(C)cc2C)o1 ZINC000628132311 1128814590 /nfs/dbraw/zinc/81/45/90/1128814590.db2.gz CBJLRPBQXZKLFQ-CYBMUJFWSA-N 0 1 258.365 3.793 20 0 CHADMN CCC1(CNCc2nc(C(C)(C)C)co2)CCC1 ZINC000724427859 1118999586 /nfs/dbraw/zinc/99/95/86/1118999586.db2.gz BUNQLSQRTZYEGR-UHFFFAOYSA-N 0 1 250.386 3.642 20 0 CHADMN CC1CCC(NCc2nc(C(C)(C)C)co2)CC1 ZINC000724427711 1118999801 /nfs/dbraw/zinc/99/98/01/1118999801.db2.gz AJXNMPUSHDCQQV-UHFFFAOYSA-N 0 1 250.386 3.640 20 0 CHADMN Cc1c[nH]c(CN[C@@H](CC(C)C)c2cccs2)n1 ZINC000657323494 1119000556 /nfs/dbraw/zinc/00/05/56/1119000556.db2.gz FESQLZQDAHNNAM-LBPRGKRZSA-N 0 1 263.410 3.657 20 0 CHADMN Fc1ccc(CN2CCCCC2)cc1OC(F)(F)F ZINC001143435383 1119003375 /nfs/dbraw/zinc/00/33/75/1119003375.db2.gz ARVSWKKZLHYAKO-UHFFFAOYSA-N 0 1 277.261 3.710 20 0 CHADMN CCCn1nccc1CN[C@@H](C)c1cccc(OCC)c1 ZINC000657335538 1119008519 /nfs/dbraw/zinc/00/85/19/1119008519.db2.gz GJXHVNKIUYGBHL-AWEZNQCLSA-N 0 1 287.407 3.543 20 0 CHADMN Cc1cncc(CN[C@@H](c2ncccc2C)C(C)(C)C)c1 ZINC000934286906 1119009614 /nfs/dbraw/zinc/00/96/14/1119009614.db2.gz MTYAJIVHJIGOAT-KRWDZBQOSA-N 0 1 283.419 3.970 20 0 CHADMN Cl/C=C\CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000255487080 1119014167 /nfs/dbraw/zinc/01/41/67/1119014167.db2.gz FVWSRQMMAICXNV-BHQIHCQQSA-N 0 1 286.187 3.970 20 0 CHADMN CCCn1nccc1CNC(C)(C)c1ccc(Cl)cc1 ZINC000657345303 1119014803 /nfs/dbraw/zinc/01/48/03/1119014803.db2.gz NQPRCLDEPWNHST-UHFFFAOYSA-N 0 1 291.826 3.971 20 0 CHADMN Cc1c[nH]c(CN[C@H](C)c2cc3ccccc3s2)n1 ZINC000657353133 1119021672 /nfs/dbraw/zinc/02/16/72/1119021672.db2.gz GCQLEAQGHJPPMM-LLVKDONJSA-N 0 1 271.389 3.784 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2ccc(Cl)cc2)s1 ZINC000037505309 1119027097 /nfs/dbraw/zinc/02/70/97/1119027097.db2.gz YHNUTTVLKKNPFZ-VIFPVBQESA-N 0 1 266.797 3.956 20 0 CHADMN c1ccc2c(CN[C@@H](c3cccnc3)C3CCC3)noc2c1 ZINC000582191725 1119031687 /nfs/dbraw/zinc/03/16/87/1119031687.db2.gz JIEYQRNQVBDGOQ-GOSISDBHSA-N 0 1 293.370 3.854 20 0 CHADMN CCc1cnc(CNCc2cc3ccncc3s2)s1 ZINC000657378593 1119041433 /nfs/dbraw/zinc/04/14/33/1119041433.db2.gz PVHZNDKBJKAFFK-UHFFFAOYSA-N 0 1 289.429 3.605 20 0 CHADMN COc1ccc(CN(Cc2ccco2)C2CCCC2)nc1 ZINC000342471286 1119042645 /nfs/dbraw/zinc/04/26/45/1119042645.db2.gz MKPOTOMQRAIBHW-UHFFFAOYSA-N 0 1 286.375 3.628 20 0 CHADMN CO[C@H](CN[C@H]1c2ccccc2CC[C@@H]1F)CC(C)C ZINC001207285241 1119048334 /nfs/dbraw/zinc/04/83/34/1119048334.db2.gz ZKOGBQQHWCASOZ-XIRDDKMYSA-N 0 1 279.399 3.663 20 0 CHADMN CO[C@H](CN[C@H]1c2ccccc2CC[C@H]1F)CC(C)C ZINC001207285239 1119048339 /nfs/dbraw/zinc/04/83/39/1119048339.db2.gz ZKOGBQQHWCASOZ-UAGQMJEPSA-N 0 1 279.399 3.663 20 0 CHADMN CCn1cc([C@@H](C)N[C@H]2CCSc3ccccc32)cn1 ZINC000044498085 1119057105 /nfs/dbraw/zinc/05/71/05/1119057105.db2.gz BZBWIWXMBKTGIQ-DOMZBBRYSA-N 0 1 287.432 3.791 20 0 CHADMN Cc1cc([C@H](C)NCc2c(C)nc3ccccn32)c(C)o1 ZINC000044729814 1119059946 /nfs/dbraw/zinc/05/99/46/1119059946.db2.gz PAXABTJVHIITMK-LBPRGKRZSA-N 0 1 283.375 3.703 20 0 CHADMN Cc1ccc([C@@H](C)CN(C)Cc2cscn2)cc1 ZINC000628155683 1128819026 /nfs/dbraw/zinc/81/90/26/1128819026.db2.gz JCHDAWTXEMWMPI-ZDUSSCGKSA-N 0 1 260.406 3.687 20 0 CHADMN Cc1ccc(CN(Cc2cnc(C)o2)C(C)C)s1 ZINC000628155330 1128819236 /nfs/dbraw/zinc/81/92/36/1128819236.db2.gz WIJLLHHDPVTNLE-UHFFFAOYSA-N 0 1 264.394 3.764 20 0 CHADMN CC[C@H](C)Oc1ccc(NC(=O)[C@H](N)c2ccccc2)cc1 ZINC000237021488 1119065990 /nfs/dbraw/zinc/06/59/90/1119065990.db2.gz GXQDYTFZYAOIGD-SUMWQHHRSA-N 0 1 298.386 3.502 20 0 CHADMN CCC[C@@H](C)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000072849173 1119067173 /nfs/dbraw/zinc/06/71/73/1119067173.db2.gz NESUXQKXLKKWEA-CYBMUJFWSA-N 0 1 283.375 3.744 20 0 CHADMN c1coc([C@@H]2CCN(Cc3cc(-c4ccccc4)on3)C2)c1 ZINC000375698961 1119071348 /nfs/dbraw/zinc/07/13/48/1119071348.db2.gz UEKLYWYEZMLNDN-OAHLLOKOSA-N 0 1 294.354 3.924 20 0 CHADMN Cc1nccc(N2CCSC3(CCC3)CC2)c1Cl ZINC000413482433 1119071364 /nfs/dbraw/zinc/07/13/64/1119071364.db2.gz OFDHNVHEKZLVKH-UHFFFAOYSA-N 0 1 282.840 3.909 20 0 CHADMN CCOc1ccc(CNCc2ccc(Cl)cn2)c(C)c1 ZINC000657428037 1119077895 /nfs/dbraw/zinc/07/78/95/1119077895.db2.gz WKMWUJOPEGGCHQ-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN CC[C@H](C)CN(C)Cc1cc(-c2cccs2)on1 ZINC000111254292 1119079885 /nfs/dbraw/zinc/07/98/85/1119079885.db2.gz MOFWXPVXOWWIKM-NSHDSACASA-N 0 1 264.394 3.881 20 0 CHADMN Cc1c[nH]c(CN[C@H]2c3ccccc3CCC[C@@H]2C)n1 ZINC000657433963 1119086230 /nfs/dbraw/zinc/08/62/30/1119086230.db2.gz CRVPQOOINCJVCB-YVEFUNNKSA-N 0 1 269.392 3.521 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC[C@H](C(C)(C)C)CC2)o1 ZINC000116308606 1119091081 /nfs/dbraw/zinc/09/10/81/1119091081.db2.gz WLIHZZQQSKFYPY-OLZOCXBDSA-N 0 1 279.428 3.841 20 0 CHADMN CC(C)(C)CCCCC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000342608658 1119100384 /nfs/dbraw/zinc/10/03/84/1119100384.db2.gz PUJGOOCFLJQLFQ-UHFFFAOYSA-N 0 1 278.400 3.617 20 0 CHADMN CC(C)(C)CCCCC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000342608658 1119100386 /nfs/dbraw/zinc/10/03/86/1119100386.db2.gz PUJGOOCFLJQLFQ-UHFFFAOYSA-N 0 1 278.400 3.617 20 0 CHADMN COc1ncc([C@@H](C)NCc2ccc(F)cc2)cc1Cl ZINC000342614128 1119102093 /nfs/dbraw/zinc/10/20/93/1119102093.db2.gz JZTFCGWGUFHBAB-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN CCn1nccc1CN[C@H](C)c1ccccc1OC(C)C ZINC000125208427 1119102266 /nfs/dbraw/zinc/10/22/66/1119102266.db2.gz KQMGRXCZALYPRM-CQSZACIVSA-N 0 1 287.407 3.541 20 0 CHADMN CCOC(=O)c1cccnc1Nc1ccnc(C(C)(C)C)c1 ZINC001213160658 1119108170 /nfs/dbraw/zinc/10/81/70/1119108170.db2.gz DFQPROCAKVPMGA-UHFFFAOYSA-N 0 1 299.374 3.694 20 0 CHADMN COCc1csc(CN[C@H]2c3ccccc3O[C@@H]2C)c1 ZINC000657468917 1119115692 /nfs/dbraw/zinc/11/56/92/1119115692.db2.gz PMFGEIFRNBYBBK-BDJLRTHQSA-N 0 1 289.400 3.506 20 0 CHADMN COCc1csc(CN[C@@H]2c3ccccc3O[C@H]2C)c1 ZINC000657468923 1119115889 /nfs/dbraw/zinc/11/58/89/1119115889.db2.gz PMFGEIFRNBYBBK-ZBEGNZNMSA-N 0 1 289.400 3.506 20 0 CHADMN Fc1cccc2c1CCC[C@@H]2NCc1ccnn1CC1CC1 ZINC000657476143 1119118894 /nfs/dbraw/zinc/11/88/94/1119118894.db2.gz BEMGUFAWFGVKLW-SFHVURJKSA-N 0 1 299.393 3.599 20 0 CHADMN CC(C)c1nnc(Nc2ccnc(C(C)(C)C)c2)o1 ZINC001213160823 1119119913 /nfs/dbraw/zinc/11/99/13/1119119913.db2.gz MWGXXMOGVYROEW-UHFFFAOYSA-N 0 1 260.341 3.629 20 0 CHADMN CN(Cc1nc(C2CC2)cs1)C1CCCCC1 ZINC000342692224 1119127730 /nfs/dbraw/zinc/12/77/30/1119127730.db2.gz KDRXPMPCEVRYTH-UHFFFAOYSA-N 0 1 250.411 3.785 20 0 CHADMN CCc1nc(CN[C@H](C)COc2ccc(C)cc2)cs1 ZINC000049949229 1119133100 /nfs/dbraw/zinc/13/31/00/1119133100.db2.gz WBGNGFYSESLLFW-CYBMUJFWSA-N 0 1 290.432 3.571 20 0 CHADMN Cc1ccc([C@@H](NCc2cnn(C)c2C)C2CCCC2)o1 ZINC000342705721 1119134438 /nfs/dbraw/zinc/13/44/38/1119134438.db2.gz PLRNZWGHBZGCBJ-KRWDZBQOSA-N 0 1 287.407 3.651 20 0 CHADMN Fc1ccc(CNC[C@H]2CCC3(CCCC3)O2)c(F)c1F ZINC000657506555 1119139239 /nfs/dbraw/zinc/13/92/39/1119139239.db2.gz MKYIXUCGDZPUOT-GFCCVEGCSA-N 0 1 299.336 3.685 20 0 CHADMN CC[C@H](N[C@H]1CCCc2cccnc21)c1ccncc1 ZINC000684956370 1119141330 /nfs/dbraw/zinc/14/13/30/1119141330.db2.gz BYLADXWKVAOSOZ-HOTGVXAUSA-N 0 1 267.376 3.595 20 0 CHADMN OCCC[C@H](N[C@H]1CCCc2cccnc21)c1ccccc1 ZINC000684957475 1119142746 /nfs/dbraw/zinc/14/27/46/1119142746.db2.gz VNTDJPDGLZNOFJ-ROUUACIJSA-N 0 1 296.414 3.562 20 0 CHADMN Fc1cccc(C2(N[C@H]3CCCc4cccnc43)CC2)c1 ZINC000684961440 1119144943 /nfs/dbraw/zinc/14/49/43/1119144943.db2.gz RBOMWEABDMQXAI-INIZCTEOSA-N 0 1 282.362 3.877 20 0 CHADMN CO[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[C@H]1C ZINC000342729423 1119146009 /nfs/dbraw/zinc/14/60/09/1119146009.db2.gz FAVLXUHXLKDNLE-BXUZGUMPSA-N 0 1 287.325 3.562 20 0 CHADMN CN(C)Cc1cc(NCc2ccc(O)cc2)ccc1Cl ZINC000684968774 1119147454 /nfs/dbraw/zinc/14/74/54/1119147454.db2.gz WWRYNNFZHWCRIO-UHFFFAOYSA-N 0 1 290.794 3.719 20 0 CHADMN c1csc(CNC2(c3nccs3)CCCC2)c1 ZINC000116374186 1119149988 /nfs/dbraw/zinc/14/99/88/1119149988.db2.gz BISOXLCZUMRZNU-UHFFFAOYSA-N 0 1 264.419 3.764 20 0 CHADMN COc1ccnc([C@H](C)NCc2ccc3[nH]c(C)cc3c2)c1 ZINC000926419278 1119152745 /nfs/dbraw/zinc/15/27/45/1119152745.db2.gz XCQVAGHVJVWSMF-ZDUSSCGKSA-N 0 1 295.386 3.731 20 0 CHADMN Cc1cc(Nc2ccc(Cl)cc2N)c2ccccc2n1 ZINC001213644305 1119156473 /nfs/dbraw/zinc/15/64/73/1119156473.db2.gz QKAMCBPXBPTIHV-UHFFFAOYSA-N 0 1 283.762 3.944 20 0 CHADMN c1ccc2c(c1)CN(c1ccnc3ccccc31)CCO2 ZINC000141014230 1119161695 /nfs/dbraw/zinc/16/16/95/1119161695.db2.gz GEFVKTRLIRHZLA-UHFFFAOYSA-N 0 1 276.339 3.634 20 0 CHADMN CC(C)(C)c1ncc(CN2CC[C@H]2Cc2ccccc2)cn1 ZINC000342797656 1119174635 /nfs/dbraw/zinc/17/46/35/1119174635.db2.gz HEQIQFVKTBJVIH-KRWDZBQOSA-N 0 1 295.430 3.591 20 0 CHADMN COc1cc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)ccc1SC ZINC000075891442 1119179650 /nfs/dbraw/zinc/17/96/50/1119179650.db2.gz KPUNHKBLZBPRCI-TXEJJXNPSA-N 0 1 297.489 3.743 20 0 CHADMN COc1cc(CN2C[C@@H](C)S[C@@H](C)C2)ccc1SC ZINC000075891442 1119179652 /nfs/dbraw/zinc/17/96/52/1119179652.db2.gz KPUNHKBLZBPRCI-TXEJJXNPSA-N 0 1 297.489 3.743 20 0 CHADMN Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)Cc2ccon2)cc1 ZINC000075886562 1119179993 /nfs/dbraw/zinc/17/99/93/1119179993.db2.gz JQASQZIMEKTAGX-IAGOWNOFSA-N 0 1 270.376 3.751 20 0 CHADMN Cc1cc(CN2C[C@@H](C)C[C@@H]2c2ccccc2F)on1 ZINC000075901197 1119180712 /nfs/dbraw/zinc/18/07/12/1119180712.db2.gz XKGOPNVDUSGCGJ-MEDUHNTESA-N 0 1 274.339 3.705 20 0 CHADMN Cc1ccc(-c2cnc(CN3CCC(C)(C)C3)o2)cc1 ZINC000076012568 1119181227 /nfs/dbraw/zinc/18/12/27/1119181227.db2.gz HHOXHZCBDHWARB-UHFFFAOYSA-N 0 1 270.376 3.882 20 0 CHADMN Cc1nc(C2(NCC3CCCC3)CCCCCC2)no1 ZINC000075827814 1119181747 /nfs/dbraw/zinc/18/17/47/1119181747.db2.gz RQOVQDRFWQQDLN-UHFFFAOYSA-N 0 1 277.412 3.707 20 0 CHADMN CCC1CCN([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000077212114 1119189836 /nfs/dbraw/zinc/18/98/36/1119189836.db2.gz RIOWZDTXQHQIMW-ZDUSSCGKSA-N 0 1 285.391 3.920 20 0 CHADMN CCC(CC)NC(=O)[C@H](C)N1CCC[C@@H]1c1ccsc1 ZINC000076989601 1119190341 /nfs/dbraw/zinc/19/03/41/1119190341.db2.gz INVFSFPFEYCTBR-SWLSCSKDSA-N 0 1 294.464 3.578 20 0 CHADMN CC(C)(C)n1cc(CNCc2ccc3occc3c2)cn1 ZINC000657585718 1119200398 /nfs/dbraw/zinc/20/03/98/1119200398.db2.gz UGSLHOUXHISMFG-UHFFFAOYSA-N 0 1 283.375 3.674 20 0 CHADMN CC[C@@H]1CCCN(Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000097489759 1119202981 /nfs/dbraw/zinc/20/29/81/1119202981.db2.gz APMGIPBYEHGAAH-GFCCVEGCSA-N 0 1 291.826 3.849 20 0 CHADMN COC[C@@H](NCc1ccc(C)cc1C)c1cccc(OC)c1 ZINC000657612455 1119206838 /nfs/dbraw/zinc/20/68/38/1119206838.db2.gz YDNFXSZCTRTGKI-LJQANCHMSA-N 0 1 299.414 3.789 20 0 CHADMN COc1cc(CN2CC[C@@H]2C(C)C)cc(Cl)c1OC ZINC000342847376 1119207017 /nfs/dbraw/zinc/20/70/17/1119207017.db2.gz BGSXSCCEZJTNCF-CYBMUJFWSA-N 0 1 283.799 3.588 20 0 CHADMN CC(C)[C@@H](NCc1ccncc1)c1ccccc1F ZINC000657616342 1119208608 /nfs/dbraw/zinc/20/86/08/1119208608.db2.gz WUWCKBQKKXIMEZ-MRXNPFEDSA-N 0 1 258.340 3.708 20 0 CHADMN CCn1cncc1CN[C@@H](c1ccccc1F)C(C)C ZINC000657614201 1119208972 /nfs/dbraw/zinc/20/89/72/1119208972.db2.gz IULKZVBPCVOECX-MRXNPFEDSA-N 0 1 275.371 3.529 20 0 CHADMN Cc1nc(C2(NC[C@@H](C)c3ccc(C)cc3)CCCC2)no1 ZINC000628211387 1128829321 /nfs/dbraw/zinc/82/93/21/1128829321.db2.gz ZYRJIUYTNKQWJZ-CQSZACIVSA-N 0 1 299.418 3.849 20 0 CHADMN CC[C@@H](C)CN[C@H](c1nccs1)c1ccccc1 ZINC000119409640 1119211701 /nfs/dbraw/zinc/21/17/01/1119211701.db2.gz UTYJRXUGXSIEDA-OCCSQVGLSA-N 0 1 260.406 3.868 20 0 CHADMN Cc1cccc2c1CC[C@@H]2NCc1cnc2ccccc2n1 ZINC000628213176 1128829444 /nfs/dbraw/zinc/82/94/44/1128829444.db2.gz ALXHURQWZDNRHG-KRWDZBQOSA-N 0 1 289.382 3.715 20 0 CHADMN c1cc(CN2CCC(CCc3ccccc3)CC2)on1 ZINC000078342155 1119213440 /nfs/dbraw/zinc/21/34/40/1119213440.db2.gz BOILMLQBKLLYSE-UHFFFAOYSA-N 0 1 270.376 3.519 20 0 CHADMN CCc1noc(C)c1CN1CCCC[C@@H]1c1cccn1C ZINC000119555195 1119216332 /nfs/dbraw/zinc/21/63/32/1119216332.db2.gz MJGKKEISXSMAFT-QGZVFWFLSA-N 0 1 287.407 3.611 20 0 CHADMN CCC[N@@H+](Cc1ccc(F)cc1)Cc1ccnc(OC)c1 ZINC000342864209 1119216337 /nfs/dbraw/zinc/21/63/37/1119216337.db2.gz MKPILBPQGRVMDX-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN CCCN(Cc1ccc(F)cc1)Cc1ccnc(OC)c1 ZINC000342864209 1119216339 /nfs/dbraw/zinc/21/63/39/1119216339.db2.gz MKPILBPQGRVMDX-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN CC[C@H](NCc1cccn1C)c1ccc(F)cc1F ZINC000119601313 1119218291 /nfs/dbraw/zinc/21/82/91/1119218291.db2.gz RLPFHJQNLAXYNK-HNNXBMFYSA-N 0 1 264.319 3.544 20 0 CHADMN C=C(C)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000181053390 1128830460 /nfs/dbraw/zinc/83/04/60/1128830460.db2.gz PZTWIKWZCFVCOG-UHFFFAOYSA-N 0 1 260.164 3.707 20 0 CHADMN C[C@@]1(CNCc2csc(-c3ccccc3)n2)CC1(F)F ZINC000657670362 1119237124 /nfs/dbraw/zinc/23/71/24/1119237124.db2.gz UMDJXXBZRMWGAN-AWEZNQCLSA-N 0 1 294.370 3.945 20 0 CHADMN CC(C)(C)c1cc(Nc2cn(CC(F)(F)F)cn2)ccn1 ZINC001213164523 1119239427 /nfs/dbraw/zinc/23/94/27/1119239427.db2.gz SVOWYNHASJJGAS-UHFFFAOYSA-N 0 1 298.312 3.882 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1cc(C)ccn1 ZINC000685041498 1119241939 /nfs/dbraw/zinc/24/19/39/1119241939.db2.gz UAAPRBTXNLFHGF-ZDUSSCGKSA-N 0 1 272.417 3.963 20 0 CHADMN FC(F)(F)C1(CNCc2coc(-c3ccccc3)n2)CC1 ZINC000353051373 1119245941 /nfs/dbraw/zinc/24/59/41/1119245941.db2.gz XRKWHLMYQPXEDL-UHFFFAOYSA-N 0 1 296.292 3.774 20 0 CHADMN COCc1cnc(CN2CCC[C@H](CC(C)C)C2)s1 ZINC000342928861 1119252710 /nfs/dbraw/zinc/25/27/10/1119252710.db2.gz DKLGMGMUBJRFHN-CYBMUJFWSA-N 0 1 282.453 3.548 20 0 CHADMN C[C@@H]1CCC[C@H](CCN2CCO[C@H](c3ccco3)C2)C1 ZINC001167635923 1119252830 /nfs/dbraw/zinc/25/28/30/1119252830.db2.gz OTCYCQVKUWJGHP-INMHGKMJSA-N 0 1 277.408 3.869 20 0 CHADMN C[C@@H](NCc1cnc(N(C)C)s1)c1ccccc1Cl ZINC000078819116 1119254998 /nfs/dbraw/zinc/25/49/98/1119254998.db2.gz NWVUJWCZBZLJJR-SNVBAGLBSA-N 0 1 295.839 3.713 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1ncc(COC)s1)C1CC1 ZINC000342937070 1119256213 /nfs/dbraw/zinc/25/62/13/1119256213.db2.gz AHTCEGLJMHQKAI-VXGBXAGGSA-N 0 1 282.453 3.689 20 0 CHADMN COc1cccc(C[C@H](N[C@@H]2CCCC2(F)F)C2CC2)c1 ZINC000672620381 1119258391 /nfs/dbraw/zinc/25/83/91/1119258391.db2.gz MARGSZBNSMKUDG-JKSUJKDBSA-N 0 1 295.373 3.794 20 0 CHADMN CC[C@@H](CN(CC)Cc1nc(C)c[nH]1)c1ccccc1 ZINC000628241168 1128833259 /nfs/dbraw/zinc/83/32/59/1128833259.db2.gz LGTWACFFNSKTFO-HNNXBMFYSA-N 0 1 271.408 3.734 20 0 CHADMN C[C@]12CCCC[C@H]1CN2CC(=O)c1c[nH]c2ccccc12 ZINC000626104656 1119266873 /nfs/dbraw/zinc/26/68/73/1119266873.db2.gz YDBYMSZFPOGXMG-UGSOOPFHSA-N 0 1 282.387 3.615 20 0 CHADMN Cc1ncc(CN(CC(C)C)[C@H]2CCCc3cccnc32)o1 ZINC000628240842 1128833524 /nfs/dbraw/zinc/83/35/24/1128833524.db2.gz WPDIKCNYWIZTPA-KRWDZBQOSA-N 0 1 299.418 3.914 20 0 CHADMN Cc1ncc(CN(CC(C)C)[C@@H]2CCCc3cccnc32)o1 ZINC000628240843 1128834249 /nfs/dbraw/zinc/83/42/49/1128834249.db2.gz WPDIKCNYWIZTPA-QGZVFWFLSA-N 0 1 299.418 3.914 20 0 CHADMN COc1cccc([C@@H](C)N[C@@H]2CCCc3cccnc32)c1 ZINC000091661122 1119277989 /nfs/dbraw/zinc/27/79/89/1119277989.db2.gz IYRLQVDPWMKGOV-CXAGYDPISA-N 0 1 282.387 3.818 20 0 CHADMN CC1(C)[C@@H](C(F)(F)F)CCN1Cc1cnc(C2CC2)o1 ZINC000628247744 1128835074 /nfs/dbraw/zinc/83/50/74/1128835074.db2.gz OOHYNFNHXMMUKL-NSHDSACASA-N 0 1 288.313 3.715 20 0 CHADMN C[C@@H]1CSCCN(Cc2ccsc2C(F)(F)F)C1 ZINC000628252065 1128836057 /nfs/dbraw/zinc/83/60/57/1128836057.db2.gz HFUJTWKBIYWDLU-VIFPVBQESA-N 0 1 295.395 3.952 20 0 CHADMN C[C@]1(O)CCCN(Cc2csc(C(F)(F)F)c2)CC1 ZINC000628255141 1128836154 /nfs/dbraw/zinc/83/61/54/1128836154.db2.gz COAXUYKRUOEVCX-LBPRGKRZSA-N 0 1 293.354 3.504 20 0 CHADMN Cc1ncc(CN[C@@H]2CCc3ccc(Cl)cc32)s1 ZINC000343104427 1119313261 /nfs/dbraw/zinc/31/32/61/1119313261.db2.gz RLZRUEHKALOYNN-CQSZACIVSA-N 0 1 278.808 3.882 20 0 CHADMN C[C@@H](NCc1cccnc1N(C)C)c1ccc(Cl)s1 ZINC000154740726 1119318458 /nfs/dbraw/zinc/31/84/58/1119318458.db2.gz LJLHRCYLZONEGX-SNVBAGLBSA-N 0 1 295.839 3.713 20 0 CHADMN C[C@H]1C[C@H](C)N1Cc1cccc(F)c1OCC(F)(F)F ZINC000628255372 1128837917 /nfs/dbraw/zinc/83/79/17/1128837917.db2.gz KNTMPUPMZHWUIS-UWVGGRQHSA-N 0 1 291.288 3.750 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2)cc1C ZINC000025416949 1119326497 /nfs/dbraw/zinc/32/64/97/1119326497.db2.gz XPTWLRORAOHBKX-INIZCTEOSA-N 0 1 296.414 3.762 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2c(C)noc2C)cc1 ZINC000092326287 1119327351 /nfs/dbraw/zinc/32/73/51/1119327351.db2.gz DFCJBGSSUYSLDN-QWRGUYRKSA-N 0 1 274.364 3.712 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1cccs1 ZINC000092327925 1119327977 /nfs/dbraw/zinc/32/79/77/1119327977.db2.gz HMNCIZGVFNVIMJ-DTWKUNHWSA-N 0 1 250.367 3.765 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@H](C)c1cccs1 ZINC000092327927 1119328092 /nfs/dbraw/zinc/32/80/92/1119328092.db2.gz HMNCIZGVFNVIMJ-RKDXNWHRSA-N 0 1 250.367 3.765 20 0 CHADMN CCN(Cc1ccoc1)CC1=Cc2ccccc2OC1 ZINC000092935888 1119352838 /nfs/dbraw/zinc/35/28/38/1119352838.db2.gz ROTZGWYNDZKRCY-UHFFFAOYSA-N 0 1 269.344 3.578 20 0 CHADMN CC[N@@H+](CC12CCC(CC1)C2)C1CCC(C(=O)[O-])CC1 ZINC000566508609 1119353302 /nfs/dbraw/zinc/35/33/02/1119353302.db2.gz KLBWDXLBIPYSDQ-UHFFFAOYSA-N 0 1 279.424 3.532 20 0 CHADMN C[C@H](c1cccnc1)N(C)CCOC1CCCCCC1 ZINC000093233844 1119357724 /nfs/dbraw/zinc/35/77/24/1119357724.db2.gz LWRDQNRPRZZTKM-OAHLLOKOSA-N 0 1 276.424 3.814 20 0 CHADMN COc1cc(C)nc(CN(C)[C@@H](C)c2ccc(F)cc2)c1 ZINC000536033714 1119360642 /nfs/dbraw/zinc/36/06/42/1119360642.db2.gz ALDDPKZOCDRUKC-ZDUSSCGKSA-N 0 1 288.366 3.731 20 0 CHADMN CCOc1ccccc1CNCc1ccc(C)cc1OC ZINC000151019891 1119367948 /nfs/dbraw/zinc/36/79/48/1119367948.db2.gz GUSYTKLEQYZZBC-UHFFFAOYSA-N 0 1 285.387 3.692 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H]1C1CC1)c1nc(C2CCCCC2)no1 ZINC000583526690 1119372076 /nfs/dbraw/zinc/37/20/76/1119372076.db2.gz XBYLEEGIYCYWCT-GLQYFDAESA-N 0 1 289.423 3.957 20 0 CHADMN O=C(C[N@H+]1CCCC[C@@H]1c1ccccc1)Nc1ccccc1 ZINC000583538251 1119374540 /nfs/dbraw/zinc/37/45/40/1119374540.db2.gz GTTIKYNBXXVDIM-GOSISDBHSA-N 0 1 294.398 3.852 20 0 CHADMN O=C(CN1CCCC[C@@H]1c1ccccc1)Nc1ccccc1 ZINC000583538251 1119374543 /nfs/dbraw/zinc/37/45/43/1119374543.db2.gz GTTIKYNBXXVDIM-GOSISDBHSA-N 0 1 294.398 3.852 20 0 CHADMN Cc1ccc2[nH]c(-c3nc(C4(N)CCCCC4)no3)cc2c1 ZINC000583559191 1119377022 /nfs/dbraw/zinc/37/70/22/1119377022.db2.gz LPMVLPZVDXBUTK-UHFFFAOYSA-N 0 1 296.374 3.644 20 0 CHADMN Cc1ccc([C@H](N[C@H](C)CC(C)(C)O)c2ccccn2)cc1 ZINC000926513457 1119383056 /nfs/dbraw/zinc/38/30/56/1119383056.db2.gz VQAPYFPYHCVNBU-QAPCUYQASA-N 0 1 298.430 3.619 20 0 CHADMN CC[C@@H]1CC[C@H](C)[N@H+]1CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000583635973 1119387229 /nfs/dbraw/zinc/38/72/29/1119387229.db2.gz CLWCUIKWFUDEEW-NUEKZKHPSA-N 0 1 275.392 3.508 20 0 CHADMN COc1cccc(C2(NCc3ccoc3C)CCC2)c1 ZINC000657779711 1119391344 /nfs/dbraw/zinc/39/13/44/1119391344.db2.gz TUTKXCWSZAVFPB-UHFFFAOYSA-N 0 1 271.360 3.766 20 0 CHADMN CO[C@@H](CNCc1csc(C2CC2)n1)C1CCCCC1 ZINC000657783487 1119396371 /nfs/dbraw/zinc/39/63/71/1119396371.db2.gz ZHAGUGJUMVTKJD-HNNXBMFYSA-N 0 1 294.464 3.705 20 0 CHADMN C[C@H](NC[C@@H]1CCCCC1(F)F)c1cc2n(n1)CCCC2 ZINC000647305324 1119400078 /nfs/dbraw/zinc/40/00/78/1119400078.db2.gz FSGVXDDTOXHZOQ-STQMWFEESA-N 0 1 297.393 3.696 20 0 CHADMN CCOc1ccccc1[C@H](CC)N[C@H](C)c1cncnc1C ZINC000583762905 1119408429 /nfs/dbraw/zinc/40/84/29/1119408429.db2.gz JPQIZTMZBHFTTP-PBHICJAKSA-N 0 1 299.418 3.986 20 0 CHADMN Cc1noc([C@@H]2CCC[N@@H+]2CC2CCC(C(C)C)CC2)n1 ZINC000583780056 1119411838 /nfs/dbraw/zinc/41/18/38/1119411838.db2.gz XNLMFSPGQKYZGQ-GPANFISMSA-N 0 1 291.439 3.977 20 0 CHADMN CC[C@H](C)[C@@H](C[N@@H+](C)Cc1cc2ccccc2[nH]1)OC ZINC001204609774 1119415959 /nfs/dbraw/zinc/41/59/59/1119415959.db2.gz YPAOHDGEVYEYED-SUMWQHHRSA-N 0 1 274.408 3.661 20 0 CHADMN Cc1[nH+]c2c(Nc3ccc(C)c(C(=O)[O-])c3)cccn2c1C ZINC001211599361 1119419148 /nfs/dbraw/zinc/41/91/48/1119419148.db2.gz HIPDZASJEJECNG-UHFFFAOYSA-N 0 1 295.342 3.701 20 0 CHADMN CC(C)(C)c1nc(CNC[C@H]2CCCCS2)cs1 ZINC000168140635 1119420157 /nfs/dbraw/zinc/42/01/57/1119420157.db2.gz UPYLKUBBPCVJRN-GFCCVEGCSA-N 0 1 284.494 3.816 20 0 CHADMN O=C(c1ccc(F)cc1O)N1CCCC2(CCCC2)CC1 ZINC000617564171 1128845502 /nfs/dbraw/zinc/84/55/02/1128845502.db2.gz HRUHMSIQEJXORL-UHFFFAOYSA-N 0 1 291.366 3.718 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](C)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000583906115 1119432678 /nfs/dbraw/zinc/43/26/78/1119432678.db2.gz MFVUCHZXIHFSAP-LBPRGKRZSA-N 0 1 289.810 3.756 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000583906115 1119432680 /nfs/dbraw/zinc/43/26/80/1119432680.db2.gz MFVUCHZXIHFSAP-LBPRGKRZSA-N 0 1 289.810 3.756 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1ccccc1N1CCCC1 ZINC000131668740 1119433741 /nfs/dbraw/zinc/43/37/41/1119433741.db2.gz LKVKZDFGAQXSCJ-INIZCTEOSA-N 0 1 295.430 3.875 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3[nH]ccc3c2)C[C@H](CC)O1 ZINC000628315483 1128845881 /nfs/dbraw/zinc/84/58/81/1128845881.db2.gz MOZSYHKSTYKMOX-IYBDPMFKSA-N 0 1 272.392 3.557 20 0 CHADMN Brc1ccc(CN2CCCC3(CC3)CC2)nc1 ZINC000626114275 1119436541 /nfs/dbraw/zinc/43/65/41/1119436541.db2.gz ZXOOPHUNQKMJAF-UHFFFAOYSA-N 0 1 295.224 3.610 20 0 CHADMN Cc1cc(CN2CCC[C@]2(C)Cc2cccc(F)c2)no1 ZINC000583932619 1119436632 /nfs/dbraw/zinc/43/66/32/1119436632.db2.gz ZNOGYKYCYVHONR-QGZVFWFLSA-N 0 1 288.366 3.719 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCC(OC(C)(C)C)CC1 ZINC000343510201 1119437797 /nfs/dbraw/zinc/43/77/97/1119437797.db2.gz KOBGNQVQBPKHMT-UHFFFAOYSA-N 0 1 293.455 3.552 20 0 CHADMN CCOc1ncccc1CN[C@H]1C[C@H](C)c2ccccc21 ZINC000343517114 1119439159 /nfs/dbraw/zinc/43/91/59/1119439159.db2.gz RLAREBVQKMRTLJ-GUYCJALGSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1ccccc1C1(N[C@@H](C)c2ccc(F)cn2)CC1 ZINC000647316514 1119442107 /nfs/dbraw/zinc/44/21/07/1119442107.db2.gz OBLYLKXDRJVEBX-ZDUSSCGKSA-N 0 1 270.351 3.869 20 0 CHADMN c1sc(CN2CCC[C@@H]3CCC[C@H]32)nc1C1CC1 ZINC000343529117 1119443608 /nfs/dbraw/zinc/44/36/08/1119443608.db2.gz MAMLVZUOUZOXEX-GXTWGEPZSA-N 0 1 262.422 3.785 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000343595324 1119466034 /nfs/dbraw/zinc/46/60/34/1119466034.db2.gz AIILJYPCUXBNHQ-YPMHNXCESA-N 0 1 289.345 3.545 20 0 CHADMN COc1cncc(C[N@H+]2CCC[C@H]2c2ccc(C)cc2)c1 ZINC000343596459 1119467080 /nfs/dbraw/zinc/46/70/80/1119467080.db2.gz CYMPRQIROVVIFE-SFHVURJKSA-N 0 1 282.387 3.736 20 0 CHADMN COc1cncc(CN2CCC[C@H]2c2ccc(C)cc2)c1 ZINC000343596459 1119467081 /nfs/dbraw/zinc/46/70/81/1119467081.db2.gz CYMPRQIROVVIFE-SFHVURJKSA-N 0 1 282.387 3.736 20 0 CHADMN Cc1ccc2cc(CN3CCC(c4ccon4)CC3)[nH]c2c1 ZINC000668719079 1119470589 /nfs/dbraw/zinc/47/05/89/1119470589.db2.gz SVXPUOJDIVHOCW-UHFFFAOYSA-N 0 1 295.386 3.844 20 0 CHADMN FC(F)(F)c1ccc(CN[C@H]2CCCn3nccc32)cc1 ZINC000657826369 1119473643 /nfs/dbraw/zinc/47/36/43/1119473643.db2.gz IOORGIINAWFWQM-ZDUSSCGKSA-N 0 1 295.308 3.527 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CC[C@H]3C(C)C)n[nH]2)c(C)c1 ZINC000428017477 1119474781 /nfs/dbraw/zinc/47/47/81/1119474781.db2.gz NAMZQONDEPVOOS-KRWDZBQOSA-N 0 1 297.402 3.564 20 0 CHADMN CSCCC[N@@H+](C)Cc1ccccc1OCC1CC1 ZINC000343676927 1119485190 /nfs/dbraw/zinc/48/51/90/1119485190.db2.gz LZYTWDXTVVNRRH-UHFFFAOYSA-N 0 1 279.449 3.660 20 0 CHADMN Cc1nc(CN2CCC[C@](C)(c3ccccc3)C2)[nH]c1C ZINC000628176630 1119487015 /nfs/dbraw/zinc/48/70/15/1119487015.db2.gz RLONJBPFMQMFSN-SFHVURJKSA-N 0 1 283.419 3.580 20 0 CHADMN Cc1ccccc1[C@@H]1C[N@@H+](C[C@]2(C)CCCS2)CCO1 ZINC000628178457 1119488262 /nfs/dbraw/zinc/48/82/62/1119488262.db2.gz QMODZVREQPMBDW-IRXDYDNUSA-N 0 1 291.460 3.654 20 0 CHADMN Cc1ccccc1[C@@H]1CN(C[C@]2(C)CCCS2)CCO1 ZINC000628178457 1119488264 /nfs/dbraw/zinc/48/82/64/1119488264.db2.gz QMODZVREQPMBDW-IRXDYDNUSA-N 0 1 291.460 3.654 20 0 CHADMN Cc1ccccc1[C@H]1C[N@@H+](C[C@]2(C)CCCS2)CCO1 ZINC000628178458 1119488609 /nfs/dbraw/zinc/48/86/09/1119488609.db2.gz QMODZVREQPMBDW-SJORKVTESA-N 0 1 291.460 3.654 20 0 CHADMN Cc1ccccc1[C@H]1CN(C[C@]2(C)CCCS2)CCO1 ZINC000628178458 1119488611 /nfs/dbraw/zinc/48/86/11/1119488611.db2.gz QMODZVREQPMBDW-SJORKVTESA-N 0 1 291.460 3.654 20 0 CHADMN CCCCC[C@@H](C)N[C@H](c1nc(C)no1)C(C)C ZINC000167916935 1119489194 /nfs/dbraw/zinc/48/91/94/1119489194.db2.gz AQGZXROJXKGAPX-YPMHNXCESA-N 0 1 253.390 3.634 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)n1 ZINC000248575055 1119490054 /nfs/dbraw/zinc/49/00/54/1119490054.db2.gz SVZQAARVDUODEQ-YVECIDJPSA-N 0 1 297.468 3.798 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccccc1)c1ccccc1F ZINC000169062146 1119491591 /nfs/dbraw/zinc/49/15/91/1119491591.db2.gz DJQJOCOIQNZWNE-IAGOWNOFSA-N 0 1 273.351 3.600 20 0 CHADMN CC[C@H](N[C@@H](CO)c1ccccc1)c1ccccc1F ZINC000169061900 1119492055 /nfs/dbraw/zinc/49/20/55/1119492055.db2.gz DJQJOCOIQNZWNE-IRXDYDNUSA-N 0 1 273.351 3.600 20 0 CHADMN CCOc1ccc(C[C@@H](C)CN[C@H](C)c2ncco2)cc1 ZINC000926557755 1119499345 /nfs/dbraw/zinc/49/93/45/1119499345.db2.gz DZMLPJFDJUZDNA-ZIAGYGMSSA-N 0 1 288.391 3.603 20 0 CHADMN CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1cnc(C2CC2)o1 ZINC000628191024 1119503341 /nfs/dbraw/zinc/50/33/41/1119503341.db2.gz XMYCRGPJLINECM-LSDHHAIUSA-N 0 1 292.423 3.578 20 0 CHADMN C[C@@H]([N@@H+](C)Cc1cc2c(cc1Cl)OCCO2)C1(C)CC1 ZINC000343769362 1119515740 /nfs/dbraw/zinc/51/57/40/1119515740.db2.gz ZNWUQWGYWXQTEW-LLVKDONJSA-N 0 1 295.810 3.732 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1CCCC[C@H](C)C1 ZINC000248549523 1128851767 /nfs/dbraw/zinc/85/17/67/1128851767.db2.gz HJHHVPWUKAXVCZ-NWDGAFQWSA-N 0 1 291.420 3.981 20 0 CHADMN Cn1c2ccccc2nc1[C@H]1CCCN1Cc1ccccc1 ZINC000084116508 1119525298 /nfs/dbraw/zinc/52/52/98/1119525298.db2.gz RHGCZGARDSKBCL-GOSISDBHSA-N 0 1 291.398 3.910 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3cccc(F)c3)C2)sc1C ZINC000088595923 1119537252 /nfs/dbraw/zinc/53/72/52/1119537252.db2.gz ZPSLAQFEDOUWPT-CQSZACIVSA-N 0 1 290.407 3.889 20 0 CHADMN CC(C)c1noc(CN2CC[C@@H](Cc3ccccc3)[C@@H]2C)n1 ZINC000472322688 1119545582 /nfs/dbraw/zinc/54/55/82/1119545582.db2.gz ROSYHJYJMPJLDK-HOCLYGCPSA-N 0 1 299.418 3.646 20 0 CHADMN CCc1ccc([C@H](CO)N[C@H](C)c2cccc(F)c2)cc1 ZINC000090844627 1119550530 /nfs/dbraw/zinc/55/05/30/1119550530.db2.gz CILHTIVKDGHUBJ-ACJLOTCBSA-N 0 1 287.378 3.772 20 0 CHADMN Cc1nc(CN2CCC3(CCC3)CC2)nc2ccccc12 ZINC000375755662 1119551062 /nfs/dbraw/zinc/55/10/62/1119551062.db2.gz SVNSQGRRSDVWHW-UHFFFAOYSA-N 0 1 281.403 3.704 20 0 CHADMN C[C@H]1CN(Cc2cccnc2Br)CCC[C@@H]1C ZINC001137793483 1128853943 /nfs/dbraw/zinc/85/39/43/1128853943.db2.gz QTFCLYCAVTUWNV-RYUDHWBXSA-N 0 1 297.240 3.712 20 0 CHADMN c1csc([C@H](NCc2cn3ccsc3n2)C2CC2)c1 ZINC000091309030 1119554942 /nfs/dbraw/zinc/55/49/42/1119554942.db2.gz MKJYVHMLIOCJHF-CYBMUJFWSA-N 0 1 289.429 3.698 20 0 CHADMN Cc1nc(C)c(CN(Cc2ccccc2)C2CC2)s1 ZINC000172744699 1119555647 /nfs/dbraw/zinc/55/56/47/1119555647.db2.gz ZNTXOLWCYVAMHI-UHFFFAOYSA-N 0 1 272.417 3.925 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnn(C)c1)c1cc(C)ccc1OC ZINC000091727869 1119558859 /nfs/dbraw/zinc/55/88/59/1119558859.db2.gz SXLGGDXZAYHSSQ-CZUORRHYSA-N 0 1 287.407 3.539 20 0 CHADMN C[C@@H](c1ccccn1)N(C)c1ccnc2cc(F)ccc21 ZINC000091463562 1119559343 /nfs/dbraw/zinc/55/93/43/1119559343.db2.gz KRZZYQXBRVPGAY-LBPRGKRZSA-N 0 1 281.334 3.966 20 0 CHADMN CS[C@@H]1CCCCN(Cc2ccc(Cl)o2)C1 ZINC000092063955 1119561535 /nfs/dbraw/zinc/56/15/35/1119561535.db2.gz FHLBUKNOYATXRM-LLVKDONJSA-N 0 1 259.802 3.651 20 0 CHADMN CCOc1c(Cl)cc(CN2CC[C@H](C)C2)cc1OC ZINC000092471259 1119562824 /nfs/dbraw/zinc/56/28/24/1119562824.db2.gz LGSYUDJODQNEIX-NSHDSACASA-N 0 1 283.799 3.589 20 0 CHADMN CC(C)[C@@H](NCc1nccn1C)c1ccc2c(c1)CCCC2 ZINC000657867416 1119565913 /nfs/dbraw/zinc/56/59/13/1119565913.db2.gz LWXWEUBFZMVJSX-LJQANCHMSA-N 0 1 297.446 3.786 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cccc3c1OCO3)CCC2 ZINC000093116118 1119569551 /nfs/dbraw/zinc/56/95/51/1119569551.db2.gz PELNAFJRSPJCIO-MRXNPFEDSA-N 0 1 299.345 3.722 20 0 CHADMN Cc1ccc(CN[C@H]2CCCc3ccc(F)cc32)o1 ZINC000093116229 1119569708 /nfs/dbraw/zinc/56/97/08/1119569708.db2.gz RHCYGWXFAZINHX-INIZCTEOSA-N 0 1 259.324 3.894 20 0 CHADMN Cc1cccnc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000093157994 1119569907 /nfs/dbraw/zinc/56/99/07/1119569907.db2.gz JKDIJSGFRCNDDJ-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cccnc1CN[C@@H](c1ncccc1C)C(C)C ZINC000093193507 1119570786 /nfs/dbraw/zinc/57/07/86/1119570786.db2.gz XWQUQKSWXHJAEE-MRXNPFEDSA-N 0 1 269.392 3.580 20 0 CHADMN CCCC(C)(C)Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000685313908 1119571588 /nfs/dbraw/zinc/57/15/88/1119571588.db2.gz JSFLZUFSGAVRSW-UHFFFAOYSA-N 0 1 284.363 3.982 20 0 CHADMN COc1ccccc1[C@@H]1CCN(Cc2ccc(Cl)o2)C1 ZINC000093592933 1119571808 /nfs/dbraw/zinc/57/18/08/1119571808.db2.gz OUSYVZPERHCYSH-GFCCVEGCSA-N 0 1 291.778 3.931 20 0 CHADMN CCCCSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000141719621 1119581655 /nfs/dbraw/zinc/58/16/55/1119581655.db2.gz NTHNZAZJIXZDFW-BQYQJAHWSA-N 0 1 263.366 3.769 20 0 CHADMN Cc1ccc(S(=O)(=O)Nc2cccc(C)c2C)c(F)c1 ZINC000148475657 1119585302 /nfs/dbraw/zinc/58/53/02/1119585302.db2.gz PPOSXGJXSSAOKK-UHFFFAOYSA-N 0 1 293.363 3.552 20 0 CHADMN CC(C)(NCc1nc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000728593628 1119603699 /nfs/dbraw/zinc/60/36/99/1119603699.db2.gz ZWMFJAXDJOOOCQ-UHFFFAOYSA-N 0 1 283.350 3.727 20 0 CHADMN Cc1cnc(CNC[C@H](C)c2ccc(C(F)(F)F)cc2)o1 ZINC000685428681 1119604822 /nfs/dbraw/zinc/60/48/22/1119604822.db2.gz SAOJNKXRUXMWQI-JTQLQIEISA-N 0 1 298.308 3.895 20 0 CHADMN CC(C)n1cc(CN2CC[C@H](C)C3(CCCCC3)C2)nn1 ZINC000685427497 1119606039 /nfs/dbraw/zinc/60/60/39/1119606039.db2.gz NSWIKKPNDBKIMK-HNNXBMFYSA-N 0 1 290.455 3.651 20 0 CHADMN Oc1ccc2c(c1)OCCN(Cc1ccccc1C1CC1)C2 ZINC000685443536 1119607511 /nfs/dbraw/zinc/60/75/11/1119607511.db2.gz PZTIIUNNWRTXIS-UHFFFAOYSA-N 0 1 295.382 3.664 20 0 CHADMN Cc1ccc([C@@H](N[C@@H](c2nccn2C)C2CC2)C2CC2)cc1 ZINC000685439542 1119608366 /nfs/dbraw/zinc/60/83/66/1119608366.db2.gz RDQQIYGCQQSMNY-QZTJIDSGSA-N 0 1 295.430 3.921 20 0 CHADMN C[C@H](CN[C@H]1CCCC1(F)F)Cc1ccccc1 ZINC000685473120 1119613451 /nfs/dbraw/zinc/61/34/51/1119613451.db2.gz ORCAJXBVWVTWMT-JSGCOSHPSA-N 0 1 253.336 3.643 20 0 CHADMN COC[C@@H](NCc1ccc(O)cc1)c1cccc(Cl)c1 ZINC000685477384 1119613803 /nfs/dbraw/zinc/61/38/03/1119613803.db2.gz LHTCBKAMMFDZTB-MRXNPFEDSA-N 0 1 291.778 3.523 20 0 CHADMN c1cc2c(o1)CCCN(Cc1nccc3ccccc31)C2 ZINC000685477468 1119613843 /nfs/dbraw/zinc/61/38/43/1119613843.db2.gz AYFHSQQBAWQGDX-UHFFFAOYSA-N 0 1 278.355 3.776 20 0 CHADMN Fc1cc(CN2CCC[C@H](C3CC3)C2)cc(F)c1F ZINC000685476479 1119613943 /nfs/dbraw/zinc/61/39/43/1119613943.db2.gz RLXAKCMXTRMYMA-LBPRGKRZSA-N 0 1 269.310 3.726 20 0 CHADMN COc1c(C)cc([C@@H](C)NCc2cccnc2)cc1Cl ZINC000796664047 1119618350 /nfs/dbraw/zinc/61/83/50/1119618350.db2.gz RFPNQVXRURHBLV-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1cc(C(C)(C)C)on1 ZINC000685565054 1119632276 /nfs/dbraw/zinc/63/22/76/1119632276.db2.gz BBIAYSPCBZHQFY-NWDGAFQWSA-N 0 1 250.386 3.593 20 0 CHADMN CCN(Cc1cc(C(C)(C)C)on1)[C@@H]1CCOC(C)(C)C1 ZINC000685590129 1119635248 /nfs/dbraw/zinc/63/52/48/1119635248.db2.gz JCRJHSCPDOXSNX-CQSZACIVSA-N 0 1 294.439 3.752 20 0 CHADMN CCC(C)(C)c1ccc(CNCc2n[nH]cc2C)cc1 ZINC000685619475 1119639080 /nfs/dbraw/zinc/63/90/80/1119639080.db2.gz ZFSCEWLJWMJLMG-UHFFFAOYSA-N 0 1 271.408 3.696 20 0 CHADMN Cc1cn[nH]c1CNc1cc(C)cc(C(F)(F)F)c1 ZINC000685621480 1119639319 /nfs/dbraw/zinc/63/93/19/1119639319.db2.gz HJKKOTRZDWNOCY-UHFFFAOYSA-N 0 1 269.270 3.657 20 0 CHADMN COc1ccccc1[C@H](C)NCc1cc(O)cc(Cl)c1 ZINC000892409578 1119640781 /nfs/dbraw/zinc/64/07/81/1119640781.db2.gz IHQSTMNHSWXTPL-NSHDSACASA-N 0 1 291.778 3.905 20 0 CHADMN Cc1c[nH]nc1CN[C@H](C)c1ccc(F)c2ccccc21 ZINC000685623215 1119640797 /nfs/dbraw/zinc/64/07/97/1119640797.db2.gz UJZAJVRUAYNPBZ-GFCCVEGCSA-N 0 1 283.350 3.861 20 0 CHADMN CC[C@@H]1CCN(Cc2ccc(Br)s2)C1 ZINC000158006649 1119641678 /nfs/dbraw/zinc/64/16/78/1119641678.db2.gz OAFHXVVLQNRKPA-SECBINFHSA-N 0 1 274.227 3.743 20 0 CHADMN CC[C@H]1CCN(Cc2cc(Br)cs2)C1 ZINC000158004088 1119641425 /nfs/dbraw/zinc/64/14/25/1119641425.db2.gz DUNHWPNDCGNFAA-VIFPVBQESA-N 0 1 274.227 3.743 20 0 CHADMN C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cc2ccncc2s1 ZINC000657925845 1119642418 /nfs/dbraw/zinc/64/24/18/1119642418.db2.gz POSZESHOIGMWAG-MFKMUULPSA-N 0 1 298.415 3.748 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c[nH]nc21)c1cc2ccncc2s1 ZINC000657925845 1119642420 /nfs/dbraw/zinc/64/24/20/1119642420.db2.gz POSZESHOIGMWAG-MFKMUULPSA-N 0 1 298.415 3.748 20 0 CHADMN CC[C@@H](NCc1cc(OC)ns1)c1ccc(C)cc1 ZINC000399168447 1119644491 /nfs/dbraw/zinc/64/44/91/1119644491.db2.gz NKKOVDOZQBVDMT-CQSZACIVSA-N 0 1 276.405 3.701 20 0 CHADMN CC[C@@H](Cc1ccc(Cl)cc1)N[C@@H](C)c1csnn1 ZINC000658036405 1119672226 /nfs/dbraw/zinc/67/22/26/1119672226.db2.gz QJMPSUXGPOHHTE-GWCFXTLKSA-N 0 1 295.839 3.863 20 0 CHADMN CC[C@H](C)c1cccc(NC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000628432586 1128861957 /nfs/dbraw/zinc/86/19/57/1128861957.db2.gz JPWKHHMKKCKQLR-WFASDCNBSA-N 0 1 297.402 3.982 20 0 CHADMN CC[C@@H](C)CCN[C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000658121843 1119688743 /nfs/dbraw/zinc/68/87/43/1119688743.db2.gz QWGYBDTZLNECJL-DYVFJYSZSA-N 0 1 289.398 3.674 20 0 CHADMN Cc1ccc([C@@H](NCc2c(C3CC3)cnn2C)C2CCC2)o1 ZINC000658211461 1119700228 /nfs/dbraw/zinc/70/02/28/1119700228.db2.gz FUGULQJCPGULEP-SFHVURJKSA-N 0 1 299.418 3.830 20 0 CHADMN COCc1csc(CN[C@H](C)c2ccc(Cl)cn2)c1 ZINC000658210336 1119700261 /nfs/dbraw/zinc/70/02/61/1119700261.db2.gz QJZMGSDOYKGVJG-SNVBAGLBSA-N 0 1 296.823 3.794 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@H]1CCc2ccc(O)cc21 ZINC000658237236 1119709987 /nfs/dbraw/zinc/70/99/87/1119709987.db2.gz DCUFFURUHJJNAV-PXAZEXFGSA-N 0 1 283.371 3.739 20 0 CHADMN Cc1c([C@@H](C)N[C@@H]2CCc3ccc(O)cc32)cnn1C(C)C ZINC000658239112 1119710379 /nfs/dbraw/zinc/71/03/79/1119710379.db2.gz UIPOXPOCIQAZLF-KZULUSFZSA-N 0 1 299.418 3.816 20 0 CHADMN CC(C)[C@@H](O)[C@H](N[C@@H](C)c1cncs1)c1ccccc1 ZINC000658286825 1119718166 /nfs/dbraw/zinc/71/81/66/1119718166.db2.gz BXBMFCJJVQWRBJ-APHBMKBZSA-N 0 1 290.432 3.552 20 0 CHADMN CO[C@H](CN[C@@H](C)c1nc(C)sc1C)C1CCCC1 ZINC000658313528 1119722292 /nfs/dbraw/zinc/72/22/92/1119722292.db2.gz DEJPMYXYQVCXDF-IINYFYTJSA-N 0 1 282.453 3.616 20 0 CHADMN Cc1c([C@H](C)NC2(CC(C)C)CC2)nnn1-c1ccccc1 ZINC000658320901 1119723361 /nfs/dbraw/zinc/72/33/61/1119723361.db2.gz IQGSDVLRIIGVNA-AWEZNQCLSA-N 0 1 298.434 3.805 20 0 CHADMN Cc1ccc([C@H](N[C@H](C)c2nccn2C)C2CCC2)cc1 ZINC000658337212 1119726083 /nfs/dbraw/zinc/72/60/83/1119726083.db2.gz SZJKGXVZZQXAHE-RHSMWYFYSA-N 0 1 283.419 3.921 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1nccn1C)c1ccc(OC)cc1 ZINC000658335336 1119726251 /nfs/dbraw/zinc/72/62/51/1119726251.db2.gz SJUWDWFOEZYJAR-XJKSGUPXSA-N 0 1 287.407 3.621 20 0 CHADMN C[C@@H](CCC(F)(F)F)NCC(F)(F)C(C)(C)C ZINC000658337158 1119726270 /nfs/dbraw/zinc/72/62/70/1119726270.db2.gz PKCUSNLWYPGIEO-QMMMGPOBSA-N 0 1 261.278 3.988 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2N[C@@H](C)c1ccncn1 ZINC000658341170 1119728208 /nfs/dbraw/zinc/72/82/08/1119728208.db2.gz VQXOPBDVSIWKAH-GUYCJALGSA-N 0 1 267.376 3.513 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCCc3c(C)cccc32)nn1C ZINC000658340002 1119728365 /nfs/dbraw/zinc/72/83/65/1119728365.db2.gz WARZDJYIHUQHAU-RHSMWYFYSA-N 0 1 283.419 3.765 20 0 CHADMN Cc1cccc2c1CCC[C@H]2N[C@@H](C)c1nccnc1C ZINC000658340323 1119728516 /nfs/dbraw/zinc/72/85/16/1119728516.db2.gz XOJGZMRGTWBAHG-WMLDXEAASA-N 0 1 281.403 3.822 20 0 CHADMN C[C@@H](N[C@H]1C[C@H](O)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000658352121 1119730061 /nfs/dbraw/zinc/73/00/61/1119730061.db2.gz SUIBQFYSEVJNNW-BWZBUEFSSA-N 0 1 294.609 3.821 20 0 CHADMN C[C@H](O)[C@@H](N[C@@H](C)c1ccc(F)cc1F)c1ccccc1 ZINC000658361676 1119731047 /nfs/dbraw/zinc/73/10/47/1119731047.db2.gz NEVBYXCBZXKBFA-NVGCLXPQSA-N 0 1 291.341 3.738 20 0 CHADMN OC[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000339745724 1119734334 /nfs/dbraw/zinc/73/43/34/1119734334.db2.gz JQIGYGUXBDSSOU-NSHDSACASA-N 0 1 288.218 3.588 20 0 CHADMN CC[C@H](NCc1ccc(OC)o1)c1ccc(C)cc1 ZINC000892438104 1119736413 /nfs/dbraw/zinc/73/64/13/1119736413.db2.gz FZBXRYYJEUPSMW-HNNXBMFYSA-N 0 1 259.349 3.838 20 0 CHADMN CCCCN(C(=O)CCc1cnc[nH]1)[C@H]1CCC[C@@H](C)C1 ZINC000359272457 1119747819 /nfs/dbraw/zinc/74/78/19/1119747819.db2.gz ZDBKMKFJSBURBF-ZBFHGGJFSA-N 0 1 291.439 3.550 20 0 CHADMN Cc1cc(CNCc2ccc(C3CC3)cc2)sn1 ZINC000404363874 1119752236 /nfs/dbraw/zinc/75/22/36/1119752236.db2.gz GFBYSDRYUHCTTE-UHFFFAOYSA-N 0 1 258.390 3.619 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3sccc32)sn1 ZINC000404407404 1119752303 /nfs/dbraw/zinc/75/23/03/1119752303.db2.gz FLFMPDSYOKRKDA-LBPRGKRZSA-N 0 1 264.419 3.680 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(Cl)cc2)sn1 ZINC000404445624 1119754937 /nfs/dbraw/zinc/75/49/37/1119754937.db2.gz JQPFXXHTTQGKJD-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(Cl)cc2)sn1 ZINC000404445629 1119755043 /nfs/dbraw/zinc/75/50/43/1119755043.db2.gz JQPFXXHTTQGKJD-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1ncc(CN2CCC(c3cccc(F)c3F)CC2)o1 ZINC000628240208 1119759860 /nfs/dbraw/zinc/75/98/60/1119759860.db2.gz UVCMHXZTGYIOCI-UHFFFAOYSA-N 0 1 292.329 3.641 20 0 CHADMN Cc1cccc2c1CCN([C@H](C)c1ccccn1)C2 ZINC000177123647 1119762240 /nfs/dbraw/zinc/76/22/40/1119762240.db2.gz FDWRZILMQTXGNA-CQSZACIVSA-N 0 1 252.361 3.509 20 0 CHADMN CCC(CC)[C@H](NCc1nccn1C)c1ccccc1 ZINC000051922944 1119764491 /nfs/dbraw/zinc/76/44/91/1119764491.db2.gz BLYNTSSXZTWVNS-KRWDZBQOSA-N 0 1 271.408 3.687 20 0 CHADMN Cc1nn(C)c(CN[C@H](c2ccccc2)C(C)C)c1Cl ZINC000892481130 1119767582 /nfs/dbraw/zinc/76/75/82/1119767582.db2.gz JJXVRFXEQTZIEJ-INIZCTEOSA-N 0 1 291.826 3.869 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)s1)C[C@](C)(O)c1ccccc1 ZINC000051953752 1119767749 /nfs/dbraw/zinc/76/77/49/1119767749.db2.gz JNAAHDUSYDCADM-HNNXBMFYSA-N 0 1 295.835 3.741 20 0 CHADMN CC(C)=CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000177159466 1119770361 /nfs/dbraw/zinc/77/03/61/1119770361.db2.gz QBUXPBSCWSXKJF-KRWDZBQOSA-N 0 1 285.387 3.781 20 0 CHADMN CC[C@@H](C(=O)Nc1ccccc1Nc1ccccc1)N(C)C ZINC000413650317 1119771390 /nfs/dbraw/zinc/77/13/90/1119771390.db2.gz GFFXBZFJSMQDKM-KRWDZBQOSA-N 0 1 297.402 3.709 20 0 CHADMN CC[C@H](CC(C)C)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000413666349 1119774283 /nfs/dbraw/zinc/77/42/83/1119774283.db2.gz JTDMGSSNRKGVDY-SECBINFHSA-N 0 1 273.327 3.667 20 0 CHADMN CCOc1ccc(CN[C@@H](c2ccccc2)C2CC2)o1 ZINC000892486243 1119775363 /nfs/dbraw/zinc/77/53/63/1119775363.db2.gz SYMKYWQRCDKOTB-KRWDZBQOSA-N 0 1 271.360 3.919 20 0 CHADMN COC(=O)c1sccc1CN1CCC2(CCCC2)CC1 ZINC000336897211 1129234381 /nfs/dbraw/zinc/23/43/81/1129234381.db2.gz OXNXJKAYSLFIGQ-UHFFFAOYSA-N 0 1 293.432 3.691 20 0 CHADMN Cc1nc(CN2C[C@@H](C)CC[C@H]2c2ccccc2)[nH]c1C ZINC000628272891 1119782260 /nfs/dbraw/zinc/78/22/60/1119782260.db2.gz BJTPPPPVZYAORP-GUYCJALGSA-N 0 1 283.419 4.000 20 0 CHADMN CC1(C)CCC(C)(C)N(C(=O)c2cccc3c[nH]nc32)C1 ZINC000628531903 1128868675 /nfs/dbraw/zinc/86/86/75/1128868675.db2.gz NJHHMLCWSAJHKS-UHFFFAOYSA-N 0 1 285.391 3.604 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)N1CCC[C@](C)(O)CC1 ZINC000375928019 1119789119 /nfs/dbraw/zinc/78/91/19/1119789119.db2.gz PIYUELWPVVFNDE-NHYWBVRUSA-N 0 1 285.790 3.777 20 0 CHADMN CC(C)CN(C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000065961968 1119796002 /nfs/dbraw/zinc/79/60/02/1119796002.db2.gz XHAZNIVOSATSJV-UHFFFAOYSA-N 0 1 276.424 3.510 20 0 CHADMN CC[C@H](N[C@@H](C)c1cccs1)c1cccc(OC)n1 ZINC000924548234 1119796891 /nfs/dbraw/zinc/79/68/91/1119796891.db2.gz FSOPXRSCEFNTPR-RYUDHWBXSA-N 0 1 276.405 3.954 20 0 CHADMN Fc1ccc(CNCc2ccc3scnc3c2)cc1F ZINC001648924794 1119816939 /nfs/dbraw/zinc/81/69/39/1119816939.db2.gz RYXSKBUOXLGVSB-UHFFFAOYSA-N 0 1 290.338 3.864 20 0 CHADMN CO[C@H](C)CNCc1c(Cl)ccc(Cl)c1Cl ZINC000223981310 1119817338 /nfs/dbraw/zinc/81/73/38/1119817338.db2.gz FXTYQFLPAGLLRV-SSDOTTSWSA-N 0 1 282.598 3.771 20 0 CHADMN C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(F)(F)F ZINC000133275729 1119826130 /nfs/dbraw/zinc/82/61/30/1119826130.db2.gz XNNWORODIRHZMS-ZETCQYMHSA-N 0 1 273.283 3.515 20 0 CHADMN CC[C@@H](C(=O)NOC1CCCCC1)c1ccc(OC)cc1 ZINC000779325043 1128871701 /nfs/dbraw/zinc/87/17/01/1128871701.db2.gz JUASNGPIUWQASK-MRXNPFEDSA-N 0 1 291.391 3.569 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@@H](C)c1cc(O)cc(F)c1 ZINC000924558203 1119829763 /nfs/dbraw/zinc/82/97/63/1119829763.db2.gz CXFYKPSFCBWGND-NWDGAFQWSA-N 0 1 289.350 3.952 20 0 CHADMN CCN(C(=O)c1cccc2[nH]c(C)nc21)C1CC(C)(C)C1 ZINC000413987880 1119844111 /nfs/dbraw/zinc/84/41/11/1119844111.db2.gz OLURZQZPADMEKK-UHFFFAOYSA-N 0 1 285.391 3.522 20 0 CHADMN COc1ccc([C@H]2CCCCCN2Cc2n[nH]cc2C)cc1 ZINC000685833374 1119853271 /nfs/dbraw/zinc/85/32/71/1119853271.db2.gz GDCGHQMYFKMFSI-GOSISDBHSA-N 0 1 299.418 3.844 20 0 CHADMN CSc1ccc(CN2CCOCC3(CCCC3)C2)s1 ZINC000685843916 1119863878 /nfs/dbraw/zinc/86/38/78/1119863878.db2.gz TYPXMWHXSMNYIZ-UHFFFAOYSA-N 0 1 297.489 3.863 20 0 CHADMN Cc1c(F)c(F)ccc1NC(=O)c1cn[nH]c1C(C)(C)C ZINC000414059036 1119871032 /nfs/dbraw/zinc/87/10/32/1119871032.db2.gz VOTWLQHGZPHNPY-UHFFFAOYSA-N 0 1 293.317 3.546 20 0 CHADMN COc1ccc(CN[C@@H](c2ccc(C)cc2)C2CC2)o1 ZINC000892527040 1119876177 /nfs/dbraw/zinc/87/61/77/1119876177.db2.gz GOMNPEOHXDQTPT-KRWDZBQOSA-N 0 1 271.360 3.838 20 0 CHADMN Cc1cccc([C@@H](C)N[C@H](C)c2cc3n(n2)CCC3)c1C ZINC000414080189 1119886556 /nfs/dbraw/zinc/88/65/56/1119886556.db2.gz CZECMJILZRMTHO-HUUCEWRRSA-N 0 1 283.419 3.858 20 0 CHADMN C[C@H](C[C@H](C)O)N[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414114882 1119903520 /nfs/dbraw/zinc/90/35/20/1119903520.db2.gz UJCSHKBJMXELGT-AGIUHOORSA-N 0 1 290.432 3.620 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](N[C@@H](C)c1ccn(C)n1)CC2 ZINC000414127014 1119908996 /nfs/dbraw/zinc/90/89/96/1119908996.db2.gz FRHSFLUKNHPJFW-UGSOOPFHSA-N 0 1 283.419 3.882 20 0 CHADMN Cc1nc2c(n1Cc1ccc(Cl)cc1F)CCCC2 ZINC000164234401 1119913105 /nfs/dbraw/zinc/91/31/05/1119913105.db2.gz XWTAOYZKESTKTB-UHFFFAOYSA-N 0 1 278.758 3.911 20 0 CHADMN Cc1cccc2c1CC[C@H]2NCc1ccc(C)c(C)n1 ZINC000414163626 1119922736 /nfs/dbraw/zinc/92/27/36/1119922736.db2.gz IVUZMWQNXKWQNL-GOSISDBHSA-N 0 1 266.388 3.784 20 0 CHADMN CC(C)[C@@H]1C[C@@H](N[C@@H](C)c2ccn(C)n2)c2ccccc21 ZINC000414170167 1119925486 /nfs/dbraw/zinc/92/54/86/1119925486.db2.gz BURFZWHPPRDONE-QANKJYHBSA-N 0 1 283.419 3.955 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c3ccccc3[nH]c21)c1ccn(C)n1 ZINC000414191409 1119932151 /nfs/dbraw/zinc/93/21/51/1119932151.db2.gz SLIGQZWNWGTRJH-YVEFUNNKSA-N 0 1 294.402 3.630 20 0 CHADMN COC(=O)c1ccc(CN[C@H]2CCCc3occc32)cc1C ZINC000892551589 1119933042 /nfs/dbraw/zinc/93/30/42/1119933042.db2.gz ILPQOUQUUMIEQW-INIZCTEOSA-N 0 1 299.370 3.542 20 0 CHADMN O=C(Nc1cccc(C(F)F)c1)c1cccc2cn[nH]c21 ZINC000170636091 1119935975 /nfs/dbraw/zinc/93/59/75/1119935975.db2.gz HCKYTLIXCQFJIR-UHFFFAOYSA-N 0 1 287.269 3.753 20 0 CHADMN Cc1ccc(CNCc2ccc(OCC(C)C)cc2)nc1 ZINC000134141863 1119950832 /nfs/dbraw/zinc/95/08/32/1119950832.db2.gz QOPOUUXFWCXVIQ-UHFFFAOYSA-N 0 1 284.403 3.715 20 0 CHADMN COC(=O)c1oc(CNC2(c3ccccc3)CCC2)cc1C ZINC000170907129 1119968647 /nfs/dbraw/zinc/96/86/47/1119968647.db2.gz AKFGLYQHDOXHSC-UHFFFAOYSA-N 0 1 299.370 3.544 20 0 CHADMN C[C@H](N[C@@H](C)C1CCCCCC1)c1csnn1 ZINC000414297379 1119971137 /nfs/dbraw/zinc/97/11/37/1119971137.db2.gz HJPYRMKXZJQNGG-QWRGUYRKSA-N 0 1 253.415 3.548 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@@H]1CCCC[C@H]1F ZINC000414298666 1119972245 /nfs/dbraw/zinc/97/22/45/1119972245.db2.gz ZGKHTJDZVCFAEX-IACUBPJLSA-N 0 1 250.361 3.575 20 0 CHADMN CC[C@H]1C[C@H](C)CN1Cc1nnc(Cc2ccccc2C)o1 ZINC000472580581 1119973903 /nfs/dbraw/zinc/97/39/03/1119973903.db2.gz RLJDAGRNXIVYIH-BBRMVZONSA-N 0 1 299.418 3.589 20 0 CHADMN CCCOc1ccc(CNCc2cnc(F)c(C)c2)cc1 ZINC000892606891 1119975977 /nfs/dbraw/zinc/97/59/77/1119975977.db2.gz GDJAUUIWWWQHHN-UHFFFAOYSA-N 0 1 288.366 3.608 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2ccc(C)cn2)c1 ZINC000134255935 1119977431 /nfs/dbraw/zinc/97/74/31/1119977431.db2.gz RWEZTSCWQRNBRF-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN Cc1[nH]c2ccc(CNCc3ccoc3C)cc2c1C ZINC000414314494 1119978246 /nfs/dbraw/zinc/97/82/46/1119978246.db2.gz ZYLKTXKDBVMHQI-UHFFFAOYSA-N 0 1 268.360 3.976 20 0 CHADMN Cc1c(F)ccc(CN2CC[C@@H](OC(C)C)C2)c1Cl ZINC001236713191 1128881542 /nfs/dbraw/zinc/88/15/42/1128881542.db2.gz FGAAOTOKRSCXLH-CYBMUJFWSA-N 0 1 285.790 3.787 20 0 CHADMN CCc1ncc(CN[C@H](C)c2ccc(OC(C)C)cc2)cn1 ZINC000414317205 1119980215 /nfs/dbraw/zinc/98/02/15/1119980215.db2.gz VPLFCBCSTVJRPQ-CQSZACIVSA-N 0 1 299.418 3.677 20 0 CHADMN Cc1cc(CN[C@@H]2CCC(C)(C)c3ccccc32)nn1C ZINC000414322001 1119982552 /nfs/dbraw/zinc/98/25/52/1119982552.db2.gz DZORKMZNWMAERQ-QGZVFWFLSA-N 0 1 283.419 3.631 20 0 CHADMN Cc1cc(F)ncc1CNCc1cccc(OC(C)C)c1 ZINC000892617147 1119986042 /nfs/dbraw/zinc/98/60/42/1119986042.db2.gz SRXNQMNBDFYFBZ-UHFFFAOYSA-N 0 1 288.366 3.606 20 0 CHADMN Cc1ccc(CN[C@H](c2ccccc2C)C(C)C)nn1 ZINC000414348644 1119993690 /nfs/dbraw/zinc/99/36/90/1119993690.db2.gz JHVBFDFTOAFWDN-KRWDZBQOSA-N 0 1 269.392 3.580 20 0 CHADMN CC[C@@H](CN(CC)Cc1ccon1)c1ccccc1 ZINC000186620265 1119996413 /nfs/dbraw/zinc/99/64/13/1119996413.db2.gz VABCOLZMRGISEM-AWEZNQCLSA-N 0 1 258.365 3.690 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(C(C)C)cc2)nn1 ZINC000414367253 1120001196 /nfs/dbraw/zinc/00/11/96/1120001196.db2.gz DJAFUMFBURDINX-UHFFFAOYSA-N 0 1 269.392 3.540 20 0 CHADMN C[C@@H]1CN(c2ccnc3cc(F)ccc32)CCC1(F)F ZINC000685921778 1120002110 /nfs/dbraw/zinc/00/21/10/1120002110.db2.gz XXHAELSYHPOTDN-SNVBAGLBSA-N 0 1 280.293 3.855 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N(C)Cc2ccc(C)nn2)c1 ZINC000414374462 1120005080 /nfs/dbraw/zinc/00/50/80/1120005080.db2.gz VVGZAGKRVFLOTP-OAHLLOKOSA-N 0 1 269.392 3.595 20 0 CHADMN Cc1ccc(CN[C@H](c2cccc(F)c2)C2CCCC2)nn1 ZINC000414377471 1120007460 /nfs/dbraw/zinc/00/74/60/1120007460.db2.gz JEUIRRPBVALBEI-SFHVURJKSA-N 0 1 299.393 3.945 20 0 CHADMN CC1(C)CCCC[C@H]1NCc1nc(Cc2ccccc2)no1 ZINC000176668639 1120007570 /nfs/dbraw/zinc/00/75/70/1120007570.db2.gz PLNWZBVAWRUHTQ-OAHLLOKOSA-N 0 1 299.418 3.719 20 0 CHADMN CSc1cc(C)ccc1CNCc1ccoc1C ZINC000414385536 1120012058 /nfs/dbraw/zinc/01/20/58/1120012058.db2.gz XAOQFAZPOHDUQZ-UHFFFAOYSA-N 0 1 261.390 3.908 20 0 CHADMN CCC[C@H](N[C@@H]1C[C@H](C)O[C@@H]1C)c1ncccc1Cl ZINC000926782545 1120017445 /nfs/dbraw/zinc/01/74/45/1120017445.db2.gz DNZPIANEBKPVMO-UZGDPCLZSA-N 0 1 282.815 3.732 20 0 CHADMN Cc1nccc(N2CC[C@H](Cc3ccncc3)C2)c1Cl ZINC000684890330 1120019871 /nfs/dbraw/zinc/01/98/71/1120019871.db2.gz LININUVAFMJKAF-CQSZACIVSA-N 0 1 287.794 3.507 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CC[C@H]2CC[C@@H](C1)S2 ZINC000624523117 1120021038 /nfs/dbraw/zinc/02/10/38/1120021038.db2.gz CARKHVGPQLFVAH-OLZOCXBDSA-N 0 1 288.391 3.848 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)N(C)c1ccccc1 ZINC000642603650 1120021991 /nfs/dbraw/zinc/02/19/91/1120021991.db2.gz NDWKIMVWXNGNAO-UHFFFAOYSA-N 0 1 291.354 3.662 20 0 CHADMN CCCc1nc(CN2CC[C@@H](c3ccco3)C2)cs1 ZINC000376514444 1120024386 /nfs/dbraw/zinc/02/43/86/1120024386.db2.gz ZHTCVPZGRAYKHZ-GFCCVEGCSA-N 0 1 276.405 3.678 20 0 CHADMN CC[C@]1(CO)CCCN1Cc1cccc(Cl)c1Cl ZINC000472616837 1120030775 /nfs/dbraw/zinc/03/07/75/1120030775.db2.gz OFAPKHLBHJYOQR-CQSZACIVSA-N 0 1 288.218 3.730 20 0 CHADMN COCCOc1ccc(CN[C@@H](C)c2ccc(C)s2)o1 ZINC000892668784 1120033378 /nfs/dbraw/zinc/03/33/78/1120033378.db2.gz MTWFMLCYMJZKNI-LBPRGKRZSA-N 0 1 295.404 3.526 20 0 CHADMN CC[C@@H](C)N(C)Cc1coc(-c2cccc(F)c2)n1 ZINC000115540860 1120037248 /nfs/dbraw/zinc/03/72/48/1120037248.db2.gz UPHXIKNDXRRDJP-LLVKDONJSA-N 0 1 262.328 3.711 20 0 CHADMN C[C@@H](NCc1ccccc1CO)c1csc(Cl)c1 ZINC000527292287 1120040863 /nfs/dbraw/zinc/04/08/63/1120040863.db2.gz AIBVAHBWXVWDKH-SNVBAGLBSA-N 0 1 281.808 3.745 20 0 CHADMN CCOc1ccc(CNCc2ccc(SC)cc2)o1 ZINC000892673701 1120042261 /nfs/dbraw/zinc/04/22/61/1120042261.db2.gz IXGZTGVMDPYRCH-UHFFFAOYSA-N 0 1 277.389 3.690 20 0 CHADMN COc1ccc(Cl)cc1CN1CCSCC[C@H]1C ZINC000361645178 1120048966 /nfs/dbraw/zinc/04/89/66/1120048966.db2.gz CKVHVFLWXROELB-LLVKDONJSA-N 0 1 285.840 3.676 20 0 CHADMN CSc1ccc(-n2c(N)nc3ccc(C)cc32)cc1 ZINC000094660739 1120053585 /nfs/dbraw/zinc/05/35/85/1120053585.db2.gz VHJYAWAXDBFMHB-UHFFFAOYSA-N 0 1 269.373 3.638 20 0 CHADMN C[C@@H](N[C@H](C)c1ccnn1C)c1coc2ccccc12 ZINC000926813889 1120069307 /nfs/dbraw/zinc/06/93/07/1120069307.db2.gz VNKQVUSLBGGHDA-VXGBXAGGSA-N 0 1 269.348 3.578 20 0 CHADMN C[C@@H](N[C@@H](C)c1coc2ccccc21)c1ccnn1C ZINC000926813882 1120069470 /nfs/dbraw/zinc/06/94/70/1120069470.db2.gz VNKQVUSLBGGHDA-NWDGAFQWSA-N 0 1 269.348 3.578 20 0 CHADMN CC(C)[C@@H](C)CN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000188050121 1120082997 /nfs/dbraw/zinc/08/29/97/1120082997.db2.gz OKDRIRWSAIJFLI-WFASDCNBSA-N 0 1 275.371 3.520 20 0 CHADMN CCC[C@@H](NCc1cn(C)cn1)c1cc(C)sc1C ZINC000903352094 1120086942 /nfs/dbraw/zinc/08/69/42/1120086942.db2.gz QQWVLNGLOGZZJW-OAHLLOKOSA-N 0 1 277.437 3.729 20 0 CHADMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)C1CCCC1 ZINC000054626880 1120089190 /nfs/dbraw/zinc/08/91/90/1120089190.db2.gz VRDFLGADZYKXFQ-UHFFFAOYSA-N 0 1 295.342 3.952 20 0 CHADMN Cc1ccc([C@@H](NCc2ccncc2F)C2CC2)cc1 ZINC000449076181 1128889411 /nfs/dbraw/zinc/88/94/11/1128889411.db2.gz SULCQUJLNYQLSG-QGZVFWFLSA-N 0 1 270.351 3.770 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1ccc(F)c(F)c1 ZINC000110058953 1120095044 /nfs/dbraw/zinc/09/50/44/1120095044.db2.gz HHOHDAQTKHOGCO-INIZCTEOSA-N 0 1 277.289 3.881 20 0 CHADMN CCOc1ccccc1CNCc1cccc(C)c1OC ZINC000655831389 1120095140 /nfs/dbraw/zinc/09/51/40/1120095140.db2.gz JEYYTLHREZATJY-UHFFFAOYSA-N 0 1 285.387 3.692 20 0 CHADMN CN(CCC(=O)OC(C)(C)C)Cc1ccccc1Cl ZINC000131630659 1120095357 /nfs/dbraw/zinc/09/53/57/1120095357.db2.gz REHBCGXVZQZGPR-UHFFFAOYSA-N 0 1 283.799 3.504 20 0 CHADMN CC(C)C[N@@H+](Cc1cnc(-c2ccccc2)nc1)C1CC1 ZINC000613598179 1120099367 /nfs/dbraw/zinc/09/93/67/1120099367.db2.gz JAQQTUDJQOYMMV-UHFFFAOYSA-N 0 1 281.403 3.764 20 0 CHADMN CCC(CC)(CO)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000181010884 1120101446 /nfs/dbraw/zinc/10/14/46/1120101446.db2.gz NPYRZGVTIGILKO-SFHVURJKSA-N 0 1 298.430 3.559 20 0 CHADMN C[C@@H](NC[C@H]1CCCCO1)c1c(F)cccc1Cl ZINC000181731640 1120106092 /nfs/dbraw/zinc/10/60/92/1120106092.db2.gz IFYFKQKLOUTYBV-GHMZBOCLSA-N 0 1 271.763 3.699 20 0 CHADMN CCC[C@@H](NCc1ccnn1C1CCC1)c1ccccn1 ZINC000921683953 1120108049 /nfs/dbraw/zinc/10/80/49/1120108049.db2.gz NGFFMZWSODKVHK-MRXNPFEDSA-N 0 1 284.407 3.634 20 0 CHADMN Cc1csc(CNCc2cccc(O)c2Cl)c1 ZINC000393417819 1120110522 /nfs/dbraw/zinc/11/05/22/1120110522.db2.gz LMUWJFIUQWYPKN-UHFFFAOYSA-N 0 1 267.781 3.705 20 0 CHADMN Cc1nc(CNCc2cc3c(s2)CCCC3)sc1C ZINC000892711949 1120110959 /nfs/dbraw/zinc/11/09/59/1120110959.db2.gz JPOPEYPFNHBXFG-UHFFFAOYSA-N 0 1 292.473 3.990 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Oc2ccccc2)c1 ZINC000388060802 1120111669 /nfs/dbraw/zinc/11/16/69/1120111669.db2.gz JBEVTJRBGVITCE-KRWDZBQOSA-N 0 1 299.370 3.774 20 0 CHADMN CCCc1ccc(CNc2cncc3nc(C)[nH]c32)cc1 ZINC001168635354 1120111862 /nfs/dbraw/zinc/11/18/62/1120111862.db2.gz IIDSTILCLVQVOA-UHFFFAOYSA-N 0 1 280.375 3.831 20 0 CHADMN O=C([O-])[C@]12C[N@@H+](CCC3CCCCCC3)C[C@H]1CCCC2 ZINC000659799778 1120113303 /nfs/dbraw/zinc/11/33/03/1120113303.db2.gz HTNZHDPTVVOISF-SJLPKXTDSA-N 0 1 293.451 3.924 20 0 CHADMN CCC(CC)CCC[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000659801619 1120113401 /nfs/dbraw/zinc/11/34/01/1120113401.db2.gz JEVBRDILTFOLNC-INIZCTEOSA-N 0 1 277.408 3.961 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(C(=O)[O-])cc2F)[C@@H]2CCC[C@@H]21 ZINC000393458795 1120115618 /nfs/dbraw/zinc/11/56/18/1120115618.db2.gz ITFDXZMYHXAXEG-DZGCQCFKSA-N 0 1 291.366 3.534 20 0 CHADMN CCc1nc([C@H](C)N(CC)Cc2ccc(Cl)s2)n[nH]1 ZINC000659817681 1120116056 /nfs/dbraw/zinc/11/60/56/1120116056.db2.gz NIQGNDYJHMZVQH-VIFPVBQESA-N 0 1 298.843 3.665 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1cc(C2CC2)no1 ZINC000659820402 1120118125 /nfs/dbraw/zinc/11/81/25/1120118125.db2.gz FVXJZQUKMGZRKN-LBPRGKRZSA-N 0 1 256.349 3.745 20 0 CHADMN COc1cccc([C@@H](C)NCc2cc(F)ccc2OC)c1 ZINC000182415987 1120119239 /nfs/dbraw/zinc/11/92/39/1120119239.db2.gz DAIFAUIBOFHGNW-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN C[C@@H]1C[C@@H]1CC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000580261713 1120122659 /nfs/dbraw/zinc/12/26/59/1120122659.db2.gz UHEBZLICTGISIZ-GHMZBOCLSA-N 0 1 285.391 3.845 20 0 CHADMN O[C@@H](CN1CC2(C1)CCCCC2)c1ccccc1Cl ZINC000799997844 1120123920 /nfs/dbraw/zinc/12/39/20/1120123920.db2.gz WMCHUBWHSASJFI-HNNXBMFYSA-N 0 1 279.811 3.640 20 0 CHADMN Cc1ccc(CCNCc2nnc(C(C)C)s2)c(C)c1 ZINC000892721965 1120125132 /nfs/dbraw/zinc/12/51/32/1120125132.db2.gz VEVKTKRWLFTSOV-UHFFFAOYSA-N 0 1 289.448 3.611 20 0 CHADMN CO[C@@H](CN[C@H](C)c1c(F)cccc1Cl)C1CC1 ZINC000378804855 1120131723 /nfs/dbraw/zinc/13/17/23/1120131723.db2.gz VZOPRAHEWSLSTM-RNCFNFMXSA-N 0 1 271.763 3.555 20 0 CHADMN CCOc1ccc(F)c(F)c1CN1C[C@@H]2CCC[C@@H]2C1 ZINC001143486160 1120132957 /nfs/dbraw/zinc/13/29/57/1120132957.db2.gz ZDHCHICEFSQYQH-TXEJJXNPSA-N 0 1 281.346 3.595 20 0 CHADMN CC[C@@H](NCc1ccc(OCCOC)o1)c1ccccc1 ZINC000892739637 1120133846 /nfs/dbraw/zinc/13/38/46/1120133846.db2.gz FOHUJEWRNATOKE-MRXNPFEDSA-N 0 1 289.375 3.546 20 0 CHADMN Cc1cc(F)ncc1CNCc1ccccc1C(F)(F)F ZINC000892740752 1120133967 /nfs/dbraw/zinc/13/39/67/1120133967.db2.gz NTEKHFQUFDKPFW-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN CCOc1cccc([C@H](C)NCc2cnn(C)c2C2CC2)c1 ZINC000892759827 1120138445 /nfs/dbraw/zinc/13/84/45/1120138445.db2.gz XPBMASVFVNBFQS-ZDUSSCGKSA-N 0 1 299.418 3.547 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCO[C@@H](c2ccccc2)C1 ZINC000659835230 1120140357 /nfs/dbraw/zinc/14/03/57/1120140357.db2.gz APHVNPITBDYGGG-DZGCQCFKSA-N 0 1 283.362 3.741 20 0 CHADMN CC(C)n1cc(CN[C@H]2CCCc3sccc32)cn1 ZINC000183783648 1120141432 /nfs/dbraw/zinc/14/14/32/1120141432.db2.gz QSDRNBCGZUTOTK-AWEZNQCLSA-N 0 1 275.421 3.693 20 0 CHADMN Cc1nn(C)c(C)c1CNCc1ccc(Cl)c(Cl)c1 ZINC000111363384 1120144373 /nfs/dbraw/zinc/14/43/73/1120144373.db2.gz ATTNOTPMKKHJDG-UHFFFAOYSA-N 0 1 298.217 3.634 20 0 CHADMN COCCCC[C@H](N[C@@H](C)c1ncc[nH]1)c1ccccc1 ZINC000353600573 1120145121 /nfs/dbraw/zinc/14/51/21/1120145121.db2.gz YNJJCUUKWJXMHL-HOCLYGCPSA-N 0 1 287.407 3.618 20 0 CHADMN C[C@@H]1CCN(C(=O)c2cccc3c[nH]nc32)[C@H]2CCCC[C@H]12 ZINC000057083289 1120146940 /nfs/dbraw/zinc/14/69/40/1120146940.db2.gz KRJACPMNVOXFSL-XPKDYRNWSA-N 0 1 297.402 3.604 20 0 CHADMN C[C@H](OC(=O)C12CCCN1CCC2)c1cc2ccccc2o1 ZINC001128109712 1120148729 /nfs/dbraw/zinc/14/87/29/1120148729.db2.gz OQGYPECTDVQNLI-ZDUSSCGKSA-N 0 1 299.370 3.665 20 0 CHADMN C[C@@H](NCc1cncs1)c1ccc2ncsc2c1 ZINC000362524358 1120149982 /nfs/dbraw/zinc/14/99/82/1120149982.db2.gz HXCCTXUABRAAOP-SECBINFHSA-N 0 1 275.402 3.604 20 0 CHADMN Cc1cc(CN(C)C[C@H]2CCCCC2(C)C)no1 ZINC000659838801 1120152841 /nfs/dbraw/zinc/15/28/41/1120152841.db2.gz RVXBXNCGSHODBJ-CYBMUJFWSA-N 0 1 250.386 3.631 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1ccc(C)c(C)n1)CCC2 ZINC000313864858 1120155092 /nfs/dbraw/zinc/15/50/92/1120155092.db2.gz XDGQFSOIORSQAS-LJQANCHMSA-N 0 1 296.414 3.874 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cccc3c1OCC3)CC2 ZINC000921704247 1120155683 /nfs/dbraw/zinc/15/56/83/1120155683.db2.gz KFPZIGRNTBSCGZ-QGZVFWFLSA-N 0 1 283.346 3.538 20 0 CHADMN CCC(CC)[C@H](NCc1cn(C)cn1)c1ccccc1 ZINC000312567855 1120168157 /nfs/dbraw/zinc/16/81/57/1120168157.db2.gz UKUFFSCOMPKPQE-KRWDZBQOSA-N 0 1 271.408 3.687 20 0 CHADMN CCn1cc(CN[C@H](C)c2ccc(OC(C)C)cc2)cn1 ZINC000112096722 1120168293 /nfs/dbraw/zinc/16/82/93/1120168293.db2.gz VBNCODHLVHQJJB-CQSZACIVSA-N 0 1 287.407 3.541 20 0 CHADMN COc1cc(CN2CCCCC[C@@H]2c2ccccc2)on1 ZINC000659844230 1120169223 /nfs/dbraw/zinc/16/92/23/1120169223.db2.gz BDKRVEALFXZWMJ-MRXNPFEDSA-N 0 1 286.375 3.801 20 0 CHADMN Cc1ccc(CNc2ccnc(C)c2Cl)nc1C ZINC000314150503 1120173295 /nfs/dbraw/zinc/17/32/95/1120173295.db2.gz KSSQYDBHHWFNJE-UHFFFAOYSA-N 0 1 261.756 3.667 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1noc2c1CCCC2)C1CC1 ZINC000108917965 1120174293 /nfs/dbraw/zinc/17/42/93/1120174293.db2.gz MEFZXRKHFOPMFQ-STQMWFEESA-N 0 1 276.424 3.952 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(C)c(C)n2)cc1 ZINC000314185392 1120175341 /nfs/dbraw/zinc/17/53/41/1120175341.db2.gz LQSHROVAWSTLSC-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN FCCN1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000783031761 1120177425 /nfs/dbraw/zinc/17/74/25/1120177425.db2.gz SPGKDIOGDBLJDR-MEJMFZKBSA-N 0 1 253.386 3.975 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccc(C)c(C)n1)CC2 ZINC000314228955 1120178543 /nfs/dbraw/zinc/17/85/43/1120178543.db2.gz VTFVJKCFDKYSQF-GOSISDBHSA-N 0 1 266.388 3.784 20 0 CHADMN CCOc1ccc(F)c(F)c1CN(C)C1CCCC1 ZINC001143495929 1120179931 /nfs/dbraw/zinc/17/99/31/1120179931.db2.gz WAHYOBNTNWDLQY-UHFFFAOYSA-N 0 1 269.335 3.738 20 0 CHADMN Cc1cc(F)ncc1CNC(C)(C)c1cccc(F)c1 ZINC000892954742 1120180703 /nfs/dbraw/zinc/18/07/03/1120180703.db2.gz BQOKLCWAWLINTI-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCc3c2cnn3C)c(Cl)c1 ZINC000404623048 1120181140 /nfs/dbraw/zinc/18/11/40/1120181140.db2.gz AYSRHSDHKLAWOF-OAHLLOKOSA-N 0 1 289.810 3.549 20 0 CHADMN Cc1ccc(C)c(OCC[N@@H+]2CCS[C@H](C)[C@H]2C)c1 ZINC000303720845 1120181235 /nfs/dbraw/zinc/18/12/35/1120181235.db2.gz RRRQVYZYEDUOCU-HUUCEWRRSA-N 0 1 279.449 3.508 20 0 CHADMN CCc1cc(CNCc2ccc(Cl)c(C)c2Cl)[nH]n1 ZINC000921741430 1120187310 /nfs/dbraw/zinc/18/73/10/1120187310.db2.gz HHCZMSBACTWCGJ-UHFFFAOYSA-N 0 1 298.217 3.877 20 0 CHADMN Clc1ccc([C@H]2CN(CC3CC=CC3)CCO2)cc1 ZINC000659849866 1120188591 /nfs/dbraw/zinc/18/85/91/1120188591.db2.gz SYJYQJHARHHZMX-MRXNPFEDSA-N 0 1 277.795 3.680 20 0 CHADMN Cc1c2ccccc2oc1CNCc1cnn(C2CCC2)c1 ZINC000921745684 1120195446 /nfs/dbraw/zinc/19/54/46/1120195446.db2.gz PIUYEMWDVMWWHK-UHFFFAOYSA-N 0 1 295.386 3.953 20 0 CHADMN CC(C)CC[C@H]1CCCN1Cc1cn2ccsc2n1 ZINC000362948422 1120195905 /nfs/dbraw/zinc/19/59/05/1120195905.db2.gz HPCSXMMXFRDEJL-CQSZACIVSA-N 0 1 277.437 3.796 20 0 CHADMN CCOc1ccc(F)c(F)c1CN1CCC[C@@H]1C(C)C ZINC001143497514 1120200153 /nfs/dbraw/zinc/20/01/53/1120200153.db2.gz PLFLRRBTWISGBR-CQSZACIVSA-N 0 1 283.362 3.984 20 0 CHADMN CCOc1cccc(CNCc2cccc(OC)c2F)c1 ZINC000165807642 1120202105 /nfs/dbraw/zinc/20/21/05/1120202105.db2.gz QGKUALKIWLZGBL-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN Cc1ccc(-c2ccc(C[N@@H+](CC(=O)[O-])C3CCC3)o2)cc1 ZINC000656100480 1120204240 /nfs/dbraw/zinc/20/42/40/1120204240.db2.gz NXVWSJQTKRDSJK-UHFFFAOYSA-N 0 1 299.370 3.694 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SC3CCCC3)n2)o1 ZINC000624783461 1120206003 /nfs/dbraw/zinc/20/60/03/1120206003.db2.gz YOOKHBYTFQCNGR-CMDGGOBGSA-N 0 1 275.377 3.911 20 0 CHADMN Cc1cccc([C@H](C)CNCc2nnc(C(C)C)s2)c1 ZINC000893040999 1120206541 /nfs/dbraw/zinc/20/65/41/1120206541.db2.gz JDPMPNQRWMWGJK-CYBMUJFWSA-N 0 1 289.448 3.863 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cccc(OC(C)C)c1 ZINC000073007419 1120207148 /nfs/dbraw/zinc/20/71/48/1120207148.db2.gz PWEYRRNASOXKSD-LBPRGKRZSA-N 0 1 288.391 3.929 20 0 CHADMN CC[C@H](C(=O)O[C@H](C)c1ccc(F)cc1F)N(CC)CC ZINC000745093866 1120207185 /nfs/dbraw/zinc/20/71/85/1120207185.db2.gz IXKZRXXBPRRTFD-IAQYHMDHSA-N 0 1 299.361 3.689 20 0 CHADMN C[C@H](NCc1c(F)cccc1Cl)[C@H]1CCCCO1 ZINC000393652920 1120208111 /nfs/dbraw/zinc/20/81/11/1120208111.db2.gz RDWPNLKHGNXKOM-IINYFYTJSA-N 0 1 271.763 3.526 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccc(F)c2F)cc1 ZINC000113427567 1120208530 /nfs/dbraw/zinc/20/85/30/1120208530.db2.gz WGIUHKSWIOWQLL-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN COC(=O)c1ccoc1CN1CCC2(CCCCC2)CC1 ZINC000338725907 1120214551 /nfs/dbraw/zinc/21/45/51/1120214551.db2.gz OTUMHEWTSPDGMF-UHFFFAOYSA-N 0 1 291.391 3.613 20 0 CHADMN Cc1cccc(C2=CC[N@@H+](CC3(CC(=O)[O-])CC3)CC2)c1C ZINC000903961929 1120221479 /nfs/dbraw/zinc/22/14/79/1120221479.db2.gz HILJNEHZEOGDFQ-UHFFFAOYSA-N 0 1 299.414 3.647 20 0 CHADMN CCCCO[C@@H]1C[C@H](N(C)Cc2c(C)noc2C)C1(C)C ZINC000177736551 1120221682 /nfs/dbraw/zinc/22/16/82/1120221682.db2.gz BLNXLSIHNPRNGM-JKSUJKDBSA-N 0 1 294.439 3.707 20 0 CHADMN COC(=O)c1coc(CN([C@H](C)c2ccccc2)C2CC2)c1 ZINC000338734179 1120225131 /nfs/dbraw/zinc/22/51/31/1120225131.db2.gz ACCXXYBMISRUSA-CYBMUJFWSA-N 0 1 299.370 3.792 20 0 CHADMN CC/C=C/CNCc1cscc1Br ZINC000395057906 1120225519 /nfs/dbraw/zinc/22/55/19/1120225519.db2.gz YIJVJIZYOHRTQL-ONEGZZNKSA-N 0 1 260.200 3.566 20 0 CHADMN COc1ccccc1CN1CCC(Oc2ccccc2)CC1 ZINC000091682562 1120228335 /nfs/dbraw/zinc/22/83/35/1120228335.db2.gz QLVXPGGKNSKEHI-UHFFFAOYSA-N 0 1 297.398 3.739 20 0 CHADMN COCc1cccc(CNCc2ccc3ccccc3n2)c1 ZINC000314544299 1120233021 /nfs/dbraw/zinc/23/30/21/1120233021.db2.gz JLFWODXFESVTBN-UHFFFAOYSA-N 0 1 292.382 3.671 20 0 CHADMN Cc1ccc(C(=O)CCNC2(c3ccccc3F)CC2)cc1 ZINC000480871019 1120236598 /nfs/dbraw/zinc/23/65/98/1120236598.db2.gz LVWCDDJAMNRDRJ-UHFFFAOYSA-N 0 1 297.373 3.986 20 0 CHADMN COc1cc2c(cc1F)nccc2NCC[C@@H](C)F ZINC000338743825 1120241918 /nfs/dbraw/zinc/24/19/18/1120241918.db2.gz BAOIWKDAXPEVBD-SECBINFHSA-N 0 1 266.291 3.543 20 0 CHADMN CC[C@@H](Cc1nc([C@@H](N)C(C)C)no1)c1ccc(C)cc1 ZINC000843148918 1120246032 /nfs/dbraw/zinc/24/60/32/1120246032.db2.gz FUZDKICBGKIKPW-BBRMVZONSA-N 0 1 287.407 3.770 20 0 CHADMN CCc1ccc([C@@H](C)Cc2nc([C@@H](N)C(C)C)no2)cc1 ZINC000843148909 1120246640 /nfs/dbraw/zinc/24/66/40/1120246640.db2.gz FTPXHHIZXOSGSD-LRDDRELGSA-N 0 1 287.407 3.634 20 0 CHADMN C[C@H](N[C@@H]1Cc2cccc(Cl)c2C1)c1cscn1 ZINC001168685682 1120247231 /nfs/dbraw/zinc/24/72/31/1120247231.db2.gz SNLCHQQYRUOASX-GXSJLCMTSA-N 0 1 278.808 3.615 20 0 CHADMN CC1(C)CN(Cc2cccc3n[nH]cc32)[C@H]1c1cccnc1 ZINC000628291143 1120248002 /nfs/dbraw/zinc/24/80/02/1120248002.db2.gz PWDYTOPNKMUESX-KRWDZBQOSA-N 0 1 292.386 3.541 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H](c3ccncc3)C2)c1F ZINC000930517121 1120249284 /nfs/dbraw/zinc/24/92/84/1120249284.db2.gz UGHLJRJQONXUOO-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN CCCCc1noc([C@H](C)N2CCCC[C@H](C)C2)n1 ZINC000187942627 1120251649 /nfs/dbraw/zinc/25/16/49/1120251649.db2.gz AQWRMOLNSTWXIF-STQMWFEESA-N 0 1 265.401 3.595 20 0 CHADMN CCn1cc([C@H](C)N[C@@H](C)c2cc(F)c(F)c(F)c2)cn1 ZINC000271460585 1120253881 /nfs/dbraw/zinc/25/38/81/1120253881.db2.gz JXXZIBREJQDWHY-UWVGGRQHSA-N 0 1 297.324 3.732 20 0 CHADMN C[C@@H](N[C@@H](CC1CC1)c1ccccc1)c1ccncn1 ZINC000651298212 1120257655 /nfs/dbraw/zinc/25/76/55/1120257655.db2.gz LWWJFQNDZLZIDM-DYVFJYSZSA-N 0 1 267.376 3.669 20 0 CHADMN C[C@@H](c1ccc(OC(F)(F)F)cc1)N(C)Cc1cn[nH]c1 ZINC000085825622 1120258254 /nfs/dbraw/zinc/25/82/54/1120258254.db2.gz MEKRXADYHXNHJX-JTQLQIEISA-N 0 1 299.296 3.501 20 0 CHADMN CC(C)[C@@H]1N(Cc2ccncc2F)CC12CCCC2 ZINC000449791057 1128902775 /nfs/dbraw/zinc/90/27/75/1128902775.db2.gz NLFUWAODHXVESI-HNNXBMFYSA-N 0 1 262.372 3.621 20 0 CHADMN COc1ccc(CNc2ccc3c(c2)CN(C)C3)c(C)c1 ZINC000921877860 1120261414 /nfs/dbraw/zinc/26/14/14/1120261414.db2.gz GEJZFDOJONSQLJ-UHFFFAOYSA-N 0 1 282.387 3.561 20 0 CHADMN CC(C)N(C)CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000063466206 1120265215 /nfs/dbraw/zinc/26/52/15/1120265215.db2.gz FOHOAVVRJJXJEC-UHFFFAOYSA-N 0 1 294.398 3.537 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000007811598 1120270430 /nfs/dbraw/zinc/27/04/30/1120270430.db2.gz WDJGQTYZLYKJFA-HUUCEWRRSA-N 0 1 288.435 3.726 20 0 CHADMN COc1cccc2c1CCN([C@@H](C)c1ccc(F)cc1)C2 ZINC000542944017 1120272338 /nfs/dbraw/zinc/27/23/38/1120272338.db2.gz WTGSRZNVKJHDOF-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)c(C)o1 ZINC000659917546 1120284059 /nfs/dbraw/zinc/28/40/59/1120284059.db2.gz AWGZBWZPVUZEOH-CQSZACIVSA-N 0 1 290.794 3.934 20 0 CHADMN COc1cc(C)cc(CNCc2cc(O)cc(Cl)c2)c1 ZINC000893190612 1120291630 /nfs/dbraw/zinc/29/16/30/1120291630.db2.gz IRSISNZNOQDCDM-UHFFFAOYSA-N 0 1 291.778 3.652 20 0 CHADMN CC(C)CSCCCNCc1nc(C(C)(C)C)co1 ZINC000921937395 1120292312 /nfs/dbraw/zinc/29/23/12/1120292312.db2.gz BOBCZTPCUNKFAY-UHFFFAOYSA-N 0 1 284.469 3.841 20 0 CHADMN Clc1ccc2c(c1)CN(Cc1cccc3n[nH]cc31)CC2 ZINC001143087526 1120298032 /nfs/dbraw/zinc/29/80/32/1120298032.db2.gz NVASDCQAUQJULS-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN c1cc(-c2noc(CN(C3CC3)C3CCCC3)n2)cs1 ZINC000107791281 1120298674 /nfs/dbraw/zinc/29/86/74/1120298674.db2.gz QOPNKQQVNITVNY-UHFFFAOYSA-N 0 1 289.404 3.705 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2noc(-c3ccccc3)n2)[C@@H]2CCCC[C@H]21 ZINC000542969820 1120303346 /nfs/dbraw/zinc/30/33/46/1120303346.db2.gz BUUNMDMLPOYXES-VNQPRFMTSA-N 0 1 297.402 3.747 20 0 CHADMN C[C@@H]1CN(Cc2noc(-c3ccccc3)n2)[C@@H]2CCCC[C@H]21 ZINC000542969820 1120303351 /nfs/dbraw/zinc/30/33/51/1120303351.db2.gz BUUNMDMLPOYXES-VNQPRFMTSA-N 0 1 297.402 3.747 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1cnc2ccccc2n1 ZINC000659954702 1120307816 /nfs/dbraw/zinc/30/78/16/1120307816.db2.gz LBHLIVZPMNJTNH-AWEZNQCLSA-N 0 1 289.382 3.577 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2csc(-c3ccoc3)n2)C1 ZINC000108355765 1120313157 /nfs/dbraw/zinc/31/31/57/1120313157.db2.gz BXULWYHCVWJIBC-VXGBXAGGSA-N 0 1 276.405 3.881 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2ccc(Cl)nc2)CC1 ZINC000108393094 1120314600 /nfs/dbraw/zinc/31/46/00/1120314600.db2.gz UIILOYTYPFLDBM-CQSZACIVSA-N 0 1 282.815 3.516 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@H]1CCCc2n[nH]cc21 ZINC000367617010 1120315988 /nfs/dbraw/zinc/31/59/88/1120315988.db2.gz PFDQNZBDNNZBPX-FZMZJTMJSA-N 0 1 287.432 3.860 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCOC[C@H]1c1ccccc1 ZINC000659968146 1120316265 /nfs/dbraw/zinc/31/62/65/1120316265.db2.gz AKRVNNTURCCNDY-ZFWWWQNUSA-N 0 1 283.362 3.741 20 0 CHADMN CS[C@H](CNCc1nc(C(C)(C)C)co1)C(C)(C)C ZINC000921986819 1120319555 /nfs/dbraw/zinc/31/95/55/1120319555.db2.gz AVJXHASMLHGGLI-GFCCVEGCSA-N 0 1 284.469 3.839 20 0 CHADMN Clc1ncsc1CN1CCC[C@H]2CCCC[C@@H]21 ZINC001137823007 1120320756 /nfs/dbraw/zinc/32/07/56/1120320756.db2.gz NYVZDJWECAANRB-MNOVXSKESA-N 0 1 270.829 3.951 20 0 CHADMN Cc1cnc(N[C@H](C)CCCC(C)(C)O)c2[nH]ccc21 ZINC001168699161 1120322509 /nfs/dbraw/zinc/32/25/09/1120322509.db2.gz QRFJLEAXBYUNAM-GFCCVEGCSA-N 0 1 275.396 3.613 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000629365445 1128908056 /nfs/dbraw/zinc/90/80/56/1128908056.db2.gz WJVNQKBYNFWWQJ-CABCVRRESA-N 0 1 269.429 3.922 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000629364783 1128908165 /nfs/dbraw/zinc/90/81/65/1128908165.db2.gz SWHLVZZVHTUNEX-WCQYABFASA-N 0 1 295.345 3.542 20 0 CHADMN CCC[C@H](C)CCC[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000629360305 1128908377 /nfs/dbraw/zinc/90/83/77/1128908377.db2.gz OMEMEYZDNNOCPW-LBPRGKRZSA-N 0 1 281.396 3.934 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CCCCC2)[C@H]2CCC[C@H]21 ZINC000629375248 1128908788 /nfs/dbraw/zinc/90/87/88/1128908788.db2.gz YSXZLEFCZXVDQT-XHSDSOJGSA-N 0 1 279.424 3.532 20 0 CHADMN CCCCN(Cc1nc(-c2cccc(C)c2)no1)C1CC1 ZINC000042123780 1120333929 /nfs/dbraw/zinc/33/39/29/1120333929.db2.gz IFRVYLNXKIJSAC-UHFFFAOYSA-N 0 1 285.391 3.810 20 0 CHADMN c1ccc2c(c1)snc2CN1CCC2(CCC2)C1 ZINC000660000157 1120334656 /nfs/dbraw/zinc/33/46/56/1120334656.db2.gz OQEQZWZALFHXSF-UHFFFAOYSA-N 0 1 258.390 3.672 20 0 CHADMN C[C@H](c1ccccc1)N1CC[C@H](N[C@@H]2CCCC2(F)F)C1 ZINC000672622240 1120336520 /nfs/dbraw/zinc/33/65/20/1120336520.db2.gz DJTASVCARFRAOI-VNQPRFMTSA-N 0 1 294.389 3.599 20 0 CHADMN COc1ccc([C@H]2C[C@@H]2[C@H](C)N[C@@H]2CCCC2(F)F)cc1 ZINC000672621898 1120336728 /nfs/dbraw/zinc/33/67/28/1120336728.db2.gz NEBSALBLTDYCPB-AEAUEXCSSA-N 0 1 295.373 3.965 20 0 CHADMN CO[C@H](CN1CCCC[C@H]1c1ncc[nH]1)C1CCCCC1 ZINC000660008359 1120338537 /nfs/dbraw/zinc/33/85/37/1120338537.db2.gz XLHXDSPRTDKXOX-JKSUJKDBSA-N 0 1 291.439 3.532 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)[C@H]2CCC[C@@H]21 ZINC000629374066 1128909425 /nfs/dbraw/zinc/90/94/25/1128909425.db2.gz PDFGNJOHXSHIHL-OAGGEKHMSA-N 0 1 299.370 3.508 20 0 CHADMN Cc1cscc1CNCc1nccc2c1CCCC2 ZINC000922067850 1120353435 /nfs/dbraw/zinc/35/34/35/1120353435.db2.gz KQZJTHCVRLWEDN-UHFFFAOYSA-N 0 1 272.417 3.620 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1NCc1nccn1C1CC1 ZINC000893268645 1120361955 /nfs/dbraw/zinc/36/19/55/1120361955.db2.gz HKLXNGKMADDDTC-FZKQIMNGSA-N 0 1 281.403 3.631 20 0 CHADMN COc1ccc(CN[C@H]2c3ccccc3CC[C@H]2C)o1 ZINC000893269264 1120363101 /nfs/dbraw/zinc/36/31/01/1120363101.db2.gz MVTNZTJDLUDGBJ-SJKOYZFVSA-N 0 1 271.360 3.701 20 0 CHADMN CC[C@](C)(NCCOCc1ccccc1)c1nccs1 ZINC000660079275 1120368273 /nfs/dbraw/zinc/36/82/73/1120368273.db2.gz FQBSGVXQJCJZQT-INIZCTEOSA-N 0 1 290.432 3.575 20 0 CHADMN CCC1(C[NH2+]Cc2c(F)ccc([O-])c2F)CCCC1 ZINC000511587393 1120376273 /nfs/dbraw/zinc/37/62/73/1120376273.db2.gz VMLBANXGLPRBQQ-UHFFFAOYSA-N 0 1 269.335 3.730 20 0 CHADMN CCC(CC)c1cc(CN[C@H]2C[C@@H](OC)C23CCC3)on1 ZINC000453114672 1120386142 /nfs/dbraw/zinc/38/61/42/1120386142.db2.gz HBLWXSQSQLAKGW-JKSUJKDBSA-N 0 1 292.423 3.625 20 0 CHADMN CSc1ccc(CN[C@H]2CCc3ccc(F)cc32)o1 ZINC000641719641 1120398907 /nfs/dbraw/zinc/39/89/07/1120398907.db2.gz YRMWCJDRJNHTLL-AWEZNQCLSA-N 0 1 277.364 3.918 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cc(C)ccc1C ZINC000078679666 1120399633 /nfs/dbraw/zinc/39/96/33/1120399633.db2.gz IZFKDBBOCYLTMV-GFCCVEGCSA-N 0 1 258.365 3.759 20 0 CHADMN CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1ccn[nH]1 ZINC000066546099 1120400694 /nfs/dbraw/zinc/40/06/94/1120400694.db2.gz QOYBUDZJOLJPMW-MRXNPFEDSA-N 0 1 299.418 3.673 20 0 CHADMN C[C@@H](NC1CC(C(C)(C)C)C1)c1cn(-c2ccccc2)nn1 ZINC000584669161 1120402990 /nfs/dbraw/zinc/40/29/90/1120402990.db2.gz JYCXUDKBKAMQHG-WLYUNCDWSA-N 0 1 298.434 3.743 20 0 CHADMN Cc1ccc(Cc2noc([C@@H]3CCCN3C(C)C)n2)cc1C ZINC000924122425 1120404138 /nfs/dbraw/zinc/40/41/38/1120404138.db2.gz ICGRDYKGHLOHMN-INIZCTEOSA-N 0 1 299.418 3.823 20 0 CHADMN COc1cc(C)c([C@H](C)N2CCOC3(CCC3)C2)cc1C ZINC000682072893 1120409224 /nfs/dbraw/zinc/40/92/24/1120409224.db2.gz OESIARSSUOVMRK-HNNXBMFYSA-N 0 1 289.419 3.628 20 0 CHADMN Fc1cccc2c1CN([C@@H]1CCc3ccccc31)CC2 ZINC000682071963 1120409837 /nfs/dbraw/zinc/40/98/37/1120409837.db2.gz LDWQAGXOIZUTNW-GOSISDBHSA-N 0 1 267.347 3.871 20 0 CHADMN CC(C)(C)CCNCc1c(F)c(F)cc(F)c1F ZINC000682161484 1120410487 /nfs/dbraw/zinc/41/04/87/1120410487.db2.gz XZXOTCNDGZSWBM-UHFFFAOYSA-N 0 1 263.278 3.769 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2ccnn2C(C)C)cc1 ZINC000394596875 1120413087 /nfs/dbraw/zinc/41/30/87/1120413087.db2.gz IYDRWLDEPDTIHH-CQSZACIVSA-N 0 1 287.407 3.714 20 0 CHADMN C[C@H](Cc1ccsc1)N1CCOC[C@@H]1c1ccccc1 ZINC000543093011 1120413893 /nfs/dbraw/zinc/41/38/93/1120413893.db2.gz SUCRZVSLVSVOKQ-RHSMWYFYSA-N 0 1 287.428 3.753 20 0 CHADMN CCN(c1ccc(NC[C@H](C)COC)cc1)C(C)C ZINC000187488275 1120424017 /nfs/dbraw/zinc/42/40/17/1120424017.db2.gz YSCBENJGQFLNEZ-AWEZNQCLSA-N 0 1 264.413 3.616 20 0 CHADMN CN(CCC(=O)c1ccccc1)Cc1ccc(F)cc1 ZINC000053931999 1120427569 /nfs/dbraw/zinc/42/75/69/1120427569.db2.gz LMGHDNIUBKMNDT-UHFFFAOYSA-N 0 1 271.335 3.531 20 0 CHADMN CCc1ccc([C@H](NCc2nc(C)c[nH]2)C(C)C)cc1 ZINC000657293920 1120427653 /nfs/dbraw/zinc/42/76/53/1120427653.db2.gz XHMVDKLZYRJVGZ-QGZVFWFLSA-N 0 1 271.408 3.767 20 0 CHADMN Cc1ccnc(CN2CCC(OC3CCCCC3)CC2)c1 ZINC000683006714 1120433398 /nfs/dbraw/zinc/43/33/98/1120433398.db2.gz SHKZDVAVGVPJDF-UHFFFAOYSA-N 0 1 288.435 3.704 20 0 CHADMN Cc1ccc(F)c(CN2CCC(Nc3ccccn3)CC2)c1 ZINC000584761358 1120437378 /nfs/dbraw/zinc/43/73/78/1120437378.db2.gz VGURKPJGBBNTTM-UHFFFAOYSA-N 0 1 299.393 3.606 20 0 CHADMN CCC[C@H](N[C@H]1COCc2ccccc21)c1cccnc1 ZINC000417367654 1120438606 /nfs/dbraw/zinc/43/86/06/1120438606.db2.gz QCRJMWXMDUXZDF-ROUUACIJSA-N 0 1 282.387 3.784 20 0 CHADMN COc1ccc([C@H](C)N[C@H]2COCc3ccccc32)c(C)c1 ZINC000417368652 1120438660 /nfs/dbraw/zinc/43/86/60/1120438660.db2.gz RIDYEOSWCKVYLN-LIRRHRJNSA-N 0 1 297.398 3.926 20 0 CHADMN Cc1cccc([C@H](C)NCc2ccnn2C2CCC2)c1 ZINC000922168650 1120442002 /nfs/dbraw/zinc/44/20/02/1120442002.db2.gz APXOGCKRXTWVGD-AWEZNQCLSA-N 0 1 269.392 3.767 20 0 CHADMN CCc1nocc1CN[C@H](c1ccccc1C)C1CC1 ZINC000660211067 1120444505 /nfs/dbraw/zinc/44/45/05/1120444505.db2.gz NKCBWACVYSQVHB-KRWDZBQOSA-N 0 1 270.376 3.786 20 0 CHADMN CS[C@H]1CCCC[N@H+]([C@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000584785556 1120447665 /nfs/dbraw/zinc/44/76/65/1120447665.db2.gz LUQWVMULUUUNRX-PWSUYJOCSA-N 0 1 297.420 3.565 20 0 CHADMN Cc1ccc(C)c([C@H](C)N(C)C(=O)c2cc(C(C)C)[nH]n2)c1 ZINC000079950469 1120451958 /nfs/dbraw/zinc/45/19/58/1120451958.db2.gz YJBUFIXPXHCCEC-AWEZNQCLSA-N 0 1 299.418 3.983 20 0 CHADMN CCc1ccc([C@@H]([NH2+]Cc2csc(C)c2)C(=O)[O-])cc1 ZINC000417579422 1120460386 /nfs/dbraw/zinc/46/03/86/1120460386.db2.gz CMWIDDWCFAVMBP-OAHLLOKOSA-N 0 1 289.400 3.534 20 0 CHADMN Cc1sccc1CNCc1ccc(F)c(F)c1 ZINC000310482671 1120463559 /nfs/dbraw/zinc/46/35/59/1120463559.db2.gz DFPKQYFLIVEQMA-UHFFFAOYSA-N 0 1 253.317 3.625 20 0 CHADMN CCOc1cccc(Cl)c1CN1CC[C@@](C)(COC)C1 ZINC000584847491 1120464958 /nfs/dbraw/zinc/46/49/58/1120464958.db2.gz PCPSVSPDCUDPTA-MRXNPFEDSA-N 0 1 297.826 3.597 20 0 CHADMN CCCc1cc(C(=O)N(C2CC2)C2CCC(C)CC2)n[nH]1 ZINC000068258750 1120469705 /nfs/dbraw/zinc/46/97/05/1120469705.db2.gz JMZLKTUIPIXBHA-UHFFFAOYSA-N 0 1 289.423 3.546 20 0 CHADMN Cc1nc2cc(N[C@H](C)CCCC(C)(C)O)ccc2[nH]1 ZINC001168712883 1120470734 /nfs/dbraw/zinc/47/07/34/1120470734.db2.gz VIDKSBRFTGHLKD-LLVKDONJSA-N 0 1 275.396 3.613 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(CC2(C)CCCC2)no1 ZINC000843233306 1120475751 /nfs/dbraw/zinc/47/57/51/1120475751.db2.gz ZAUFRWRMPPDEJB-LBPRGKRZSA-N 0 1 279.428 3.889 20 0 CHADMN CCN(Cc1cc(C)nn1C)Cc1ccc2ccccc2c1 ZINC000417721586 1120476915 /nfs/dbraw/zinc/47/69/15/1120476915.db2.gz UCMHLGDMBJQODN-UHFFFAOYSA-N 0 1 293.414 3.904 20 0 CHADMN COc1ccc(CNCc2cccc(C)c2OC)c(C)c1 ZINC000922223963 1120477069 /nfs/dbraw/zinc/47/70/69/1120477069.db2.gz DRNHYJUNKYYMTQ-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN Cc1cc(CN(C2CC2)[C@H]2CCCc3ccccc32)n(C)n1 ZINC000417718183 1120477599 /nfs/dbraw/zinc/47/75/99/1120477599.db2.gz NVUFZTMDWKYENP-IBGZPJMESA-N 0 1 295.430 3.771 20 0 CHADMN COC1(CCN2CCc3sc(Cl)cc3C2)CCC1 ZINC000563066125 1120480315 /nfs/dbraw/zinc/48/03/15/1120480315.db2.gz JRAVABXQITVNOV-UHFFFAOYSA-N 0 1 285.840 3.719 20 0 CHADMN COc1cc(CN2CCCCC2)cc(C(F)(F)F)c1 ZINC001143508083 1120482687 /nfs/dbraw/zinc/48/26/87/1120482687.db2.gz DHCJXESDHHQUSN-UHFFFAOYSA-N 0 1 273.298 3.700 20 0 CHADMN CC(C)(C)c1cccc(CN[C@@H](CCO)c2ccco2)c1 ZINC000660297008 1120487278 /nfs/dbraw/zinc/48/72/78/1120487278.db2.gz IIMPXDBPZNDHMA-INIZCTEOSA-N 0 1 287.403 3.790 20 0 CHADMN c1cc(CN[C@H](c2ccccn2)C2CCC2)n(C2CCC2)n1 ZINC000922284730 1120497448 /nfs/dbraw/zinc/49/74/48/1120497448.db2.gz COYWFASTBDAJAI-SFHVURJKSA-N 0 1 296.418 3.634 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccc3c(c2)C[C@@H](C)O3)s1 ZINC000922305365 1120504195 /nfs/dbraw/zinc/50/41/95/1120504195.db2.gz FZVCDNGSPJENIB-MNOVXSKESA-N 0 1 288.416 3.626 20 0 CHADMN C/C(=C/C(=O)Nc1ccc(CN(C)C)c(F)c1)C(C)(C)C ZINC000086234649 1120505444 /nfs/dbraw/zinc/50/54/44/1120505444.db2.gz YRNDXOIAAYWXOE-XFXZXTDPSA-N 0 1 292.398 3.818 20 0 CHADMN C[C@H](N[C@H](c1cccnc1)C1CC1)c1cnn(C2CCC2)c1 ZINC000925642086 1120505834 /nfs/dbraw/zinc/50/58/34/1120505834.db2.gz DWDHIBMGCRBAJT-UGSOOPFHSA-N 0 1 296.418 3.805 20 0 CHADMN CC(C)(C)c1coc(CNCCC[C@H]2C=CCC2)n1 ZINC000922325185 1120513170 /nfs/dbraw/zinc/51/31/70/1120513170.db2.gz YYWQJYDBYMUBIW-ZDUSSCGKSA-N 0 1 262.397 3.808 20 0 CHADMN C[C@@H](N[C@@H](c1cccnc1)C1CC1)c1ccnn1C1CCC1 ZINC000925647454 1120513702 /nfs/dbraw/zinc/51/37/02/1120513702.db2.gz ZEBYRMOWEPWGPX-FZKQIMNGSA-N 0 1 296.418 3.805 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1cnc(C2CC2)o1 ZINC000651470780 1120518238 /nfs/dbraw/zinc/51/82/38/1120518238.db2.gz RZTHWDZZGIOWNE-INIZCTEOSA-N 0 1 268.360 3.638 20 0 CHADMN Clc1ccc(CN2CCCC[C@@H]2CC2CCC2)nn1 ZINC000931067575 1120519577 /nfs/dbraw/zinc/51/95/77/1120519577.db2.gz QSJVFLXCTBXSBD-CQSZACIVSA-N 0 1 279.815 3.675 20 0 CHADMN CC(=O)Nc1cccc(CNCc2cc3ccccc3o2)c1 ZINC000069831319 1120522515 /nfs/dbraw/zinc/52/25/15/1120522515.db2.gz DPKZXWUWYCNKEX-UHFFFAOYSA-N 0 1 294.354 3.681 20 0 CHADMN COc1cccc(C2(NCc3ccnn3C(C)C)CCC2)c1 ZINC000657779756 1120522800 /nfs/dbraw/zinc/52/28/00/1120522800.db2.gz VGLSPZVHABFRCT-UHFFFAOYSA-N 0 1 299.418 3.642 20 0 CHADMN CCC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)c2ccccc2)C1 ZINC000466487485 1120523395 /nfs/dbraw/zinc/52/33/95/1120523395.db2.gz CKCGAHTWUDHCQY-HOTGVXAUSA-N 0 1 288.435 3.550 20 0 CHADMN CCC[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)c2ccccc2)C1 ZINC000466487484 1120523579 /nfs/dbraw/zinc/52/35/79/1120523579.db2.gz CKCGAHTWUDHCQY-CVEARBPZSA-N 0 1 288.435 3.550 20 0 CHADMN C[C@H](O)[C@@H](NCc1ccc(Cl)s1)c1ccccc1 ZINC000657815485 1120528439 /nfs/dbraw/zinc/52/84/39/1120528439.db2.gz HRUQPLGUPZQCAU-IINYFYTJSA-N 0 1 281.808 3.613 20 0 CHADMN CCCC[C@@H](CC)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000367666344 1120529570 /nfs/dbraw/zinc/52/95/70/1120529570.db2.gz MQQAVQWFHONGHS-CQSZACIVSA-N 0 1 291.439 3.641 20 0 CHADMN CCCc1nc(CN[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)no1 ZINC000543473026 1120529973 /nfs/dbraw/zinc/52/99/73/1120529973.db2.gz SLAZWNGZXFMAIR-BFHYXJOUSA-N 0 1 279.428 3.573 20 0 CHADMN CCCc1nc(CN[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)no1 ZINC000543473029 1120530047 /nfs/dbraw/zinc/53/00/47/1120530047.db2.gz SLAZWNGZXFMAIR-MGPQQGTHSA-N 0 1 279.428 3.573 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccc1)c1nc2ccccc2n1C ZINC000019878652 1120542850 /nfs/dbraw/zinc/54/28/50/1120542850.db2.gz WXSSEEWUJPITGM-KBPBESRZSA-N 0 1 279.387 3.985 20 0 CHADMN CC[C@H](Cc1ccccc1)N[C@@H]1CCCC1(F)F ZINC000397991380 1120543621 /nfs/dbraw/zinc/54/36/21/1120543621.db2.gz AUXZJDMEPBYEPV-ZIAGYGMSSA-N 0 1 253.336 3.785 20 0 CHADMN COc1ccc(OC)c([C@H](C)NCc2ccc(C)cc2)c1 ZINC000019962530 1120553252 /nfs/dbraw/zinc/55/32/52/1120553252.db2.gz XOYYUFUSSZZARD-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2nc3ccccc3n2C)cc1 ZINC000019962641 1120553743 /nfs/dbraw/zinc/55/37/43/1120553743.db2.gz JWPAGBUBABECKF-AWEZNQCLSA-N 0 1 279.387 3.733 20 0 CHADMN Cc1cc(CN[C@H](c2ccccn2)C2CC2)cs1 ZINC000922584130 1120556566 /nfs/dbraw/zinc/55/65/66/1120556566.db2.gz BPEDLFAFWGBYLI-HNNXBMFYSA-N 0 1 258.390 3.692 20 0 CHADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc2ccccc2c1 ZINC000389641854 1120557369 /nfs/dbraw/zinc/55/73/69/1120557369.db2.gz XVZXXQIDXOENFX-KSZLIROESA-N 0 1 295.382 3.525 20 0 CHADMN Cc1nc(C)c(CN[C@H](C)c2ccc(OC(C)C)cc2)o1 ZINC000314441855 1120562591 /nfs/dbraw/zinc/56/25/91/1120562591.db2.gz CRGZSCOKNTVQGS-GFCCVEGCSA-N 0 1 288.391 3.929 20 0 CHADMN Cc1csc(CN[C@H](C)COCC2CCCCC2)n1 ZINC000922602257 1120562619 /nfs/dbraw/zinc/56/26/19/1120562619.db2.gz KGXYORWUCQUHEL-GFCCVEGCSA-N 0 1 282.453 3.527 20 0 CHADMN CC[C@H](NCc1scnc1C)c1cc(F)ccc1OC ZINC000922621123 1120564666 /nfs/dbraw/zinc/56/46/66/1120564666.db2.gz IWJOQRFXMAAHSL-ZDUSSCGKSA-N 0 1 294.395 3.840 20 0 CHADMN CC[C@H](NCc1ccc(C)nc1)c1cc(F)ccc1OC ZINC000922623837 1120565463 /nfs/dbraw/zinc/56/54/63/1120565463.db2.gz VMYXFRAZRATDAK-INIZCTEOSA-N 0 1 288.366 3.779 20 0 CHADMN Cc1cccc([C@H](NCc2cn(C)cn2)C(C)(C)C)c1 ZINC000673603491 1120570337 /nfs/dbraw/zinc/57/03/37/1120570337.db2.gz FXHHHDZTICIRHM-INIZCTEOSA-N 0 1 271.408 3.606 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cn(C)cn1)C(C)(C)C ZINC000673603529 1120570936 /nfs/dbraw/zinc/57/09/36/1120570936.db2.gz QOBYVZPBDXTTKY-MRXNPFEDSA-N 0 1 271.408 3.606 20 0 CHADMN C/C=C/CO[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001205049993 1120571073 /nfs/dbraw/zinc/57/10/73/1120571073.db2.gz CEWLWVJGYQYKCJ-BAABZTOOSA-N 0 1 265.784 3.507 20 0 CHADMN C[C@@H]1C[C@H]1[C@@H](NCc1cn(C)cn1)c1ccc(Cl)cc1 ZINC000673602879 1120571875 /nfs/dbraw/zinc/57/18/75/1120571875.db2.gz FEYAHNHBSHOVRZ-LYRGGWFBSA-N 0 1 289.810 3.560 20 0 CHADMN CC(C)(/C=C\Cl)NCc1cnc(-c2ccccc2)nc1 ZINC000922650354 1120572744 /nfs/dbraw/zinc/57/27/44/1120572744.db2.gz NURWZRFRULFWEH-HJWRWDBZSA-N 0 1 287.794 3.764 20 0 CHADMN CC(C)N1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428930283 1120573425 /nfs/dbraw/zinc/57/34/25/1120573425.db2.gz WTHRZODCCWWAHT-BXUZGUMPSA-N 0 1 287.325 3.876 20 0 CHADMN FC1(F)C[C@]12CCN(Cc1cnc(C3CCC3)s1)C2 ZINC000652063796 1120576718 /nfs/dbraw/zinc/57/67/18/1120576718.db2.gz VQNNVFITMXOGMK-ZDUSSCGKSA-N 0 1 284.375 3.642 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cncc(F)c2)cc1C ZINC000922672137 1120576823 /nfs/dbraw/zinc/57/68/23/1120576823.db2.gz NHVHYMBEZBFVPJ-QWHCGFSZSA-N 0 1 288.366 3.950 20 0 CHADMN CCN(CCCC(C)C)CC(=O)Nc1c(F)cccc1F ZINC000428944036 1120580814 /nfs/dbraw/zinc/58/08/14/1120580814.db2.gz GHFBTQWNSBNFBF-UHFFFAOYSA-N 0 1 298.377 3.661 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000428944723 1120581935 /nfs/dbraw/zinc/58/19/35/1120581935.db2.gz UZZVBPYBRZXLQK-GHMZBOCLSA-N 0 1 290.329 3.879 20 0 CHADMN CCCc1nc(C)c(CN2CC[C@H](C(F)(F)F)[C@H]2C)o1 ZINC000428959716 1120587571 /nfs/dbraw/zinc/58/75/71/1120587571.db2.gz YPDCCKBKIVZWQL-MNOVXSKESA-N 0 1 290.329 3.708 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@@H](CC)c1cccc(OC)n1 ZINC000925685226 1120588053 /nfs/dbraw/zinc/58/80/53/1120588053.db2.gz LCHBEIHQJWYATR-BBRMVZONSA-N 0 1 299.418 3.850 20 0 CHADMN CCCCO[C@@H]1C[C@H](N(C)Cc2conc2CC)C1(C)C ZINC000509008995 1120588057 /nfs/dbraw/zinc/58/80/57/1120588057.db2.gz VKDJMSANCDNOAW-JKSUJKDBSA-N 0 1 294.439 3.653 20 0 CHADMN Cc1ccc(C)c(CN(C)[C@H](C)c2cnc(C)cn2)c1 ZINC000428961987 1120589043 /nfs/dbraw/zinc/58/90/43/1120589043.db2.gz BFZJQUCAFGSMIG-OAHLLOKOSA-N 0 1 269.392 3.595 20 0 CHADMN C[C@@H]1CCN(Cc2nsc3ccccc32)CCS1 ZINC000660413578 1120589117 /nfs/dbraw/zinc/58/91/17/1120589117.db2.gz RVUCADQOEJVRCB-LLVKDONJSA-N 0 1 278.446 3.624 20 0 CHADMN CC1(C)C[C@@H](NCc2ccns2)c2ccccc21 ZINC000624047629 1120592977 /nfs/dbraw/zinc/59/29/77/1120592977.db2.gz JPADFRMAPWTJGH-CQSZACIVSA-N 0 1 258.390 3.655 20 0 CHADMN Cc1nc(CN(C)[C@@H](C)Cc2ccccc2C)c(C)o1 ZINC000660424365 1120595984 /nfs/dbraw/zinc/59/59/84/1120595984.db2.gz DPUZAHMSGKAHME-ZDUSSCGKSA-N 0 1 272.392 3.663 20 0 CHADMN Cc1csc(CNC[C@@H]2[C@@H](c3ccccc3)C2(F)F)n1 ZINC000922777359 1120597168 /nfs/dbraw/zinc/59/71/68/1120597168.db2.gz WTYKJMYVSTUTMI-TZMCWYRMSA-N 0 1 294.370 3.590 20 0 CHADMN CCc1cc(CN[C@H](CC)c2ccc(Cl)s2)[nH]n1 ZINC000766000324 1120598547 /nfs/dbraw/zinc/59/85/47/1120598547.db2.gz DPVCMQMKZXTCOP-LLVKDONJSA-N 0 1 283.828 3.928 20 0 CHADMN C[C@@H]1CCC[C@H](C)N(Cc2nc(Cc3ccccc3)no2)C1 ZINC000125191723 1120600725 /nfs/dbraw/zinc/60/07/25/1120600725.db2.gz HWIYFABKMIEFAC-CABCVRRESA-N 0 1 299.418 3.671 20 0 CHADMN CC[C@H](CN[C@@H]1CCCC1(F)F)c1ccccc1 ZINC000673618482 1120600840 /nfs/dbraw/zinc/60/08/40/1120600840.db2.gz JXGSLEDSCJFRIQ-TZMCWYRMSA-N 0 1 253.336 3.958 20 0 CHADMN Cc1ccc(CN2CC[C@@H](c3c(F)cccc3F)C2)o1 ZINC000347739834 1120601288 /nfs/dbraw/zinc/60/12/88/1120601288.db2.gz YMFSIHHBRFVFND-GFCCVEGCSA-N 0 1 277.314 3.856 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N(Cc2nc(Cc3ccccc3)no2)C1 ZINC000125192071 1120601305 /nfs/dbraw/zinc/60/13/05/1120601305.db2.gz HWIYFABKMIEFAC-HUUCEWRRSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](c2ccccc2C)C2CC2)nn1C ZINC000282385933 1120604218 /nfs/dbraw/zinc/60/42/18/1120604218.db2.gz XFMDANIUDQVUMY-KDOFPFPSSA-N 0 1 283.419 3.839 20 0 CHADMN CS[C@@H]1CC[C@@H]1N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343867995 1120606491 /nfs/dbraw/zinc/60/64/91/1120606491.db2.gz VEDUHTFPPLQDKO-GJMOJQLCSA-N 0 1 296.383 3.707 20 0 CHADMN CCO[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000155996753 1120609804 /nfs/dbraw/zinc/60/98/04/1120609804.db2.gz PZZDUNONLDLZIJ-AWEZNQCLSA-N 0 1 287.325 3.706 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000322922943 1120610412 /nfs/dbraw/zinc/61/04/12/1120610412.db2.gz LFYXEVDUOIQYDI-OEPRFQHASA-N 0 1 287.403 3.523 20 0 CHADMN CCc1ccc(-c2noc(CN3CCC[C@@H](CC)C3)n2)cc1 ZINC000509041588 1120612599 /nfs/dbraw/zinc/61/25/99/1120612599.db2.gz RXAOOJSGOPCQIC-OAHLLOKOSA-N 0 1 299.418 3.921 20 0 CHADMN Fc1ccc(CNCc2cccc3cnccc32)c(F)c1 ZINC000061125615 1120614825 /nfs/dbraw/zinc/61/48/25/1120614825.db2.gz JAMHKJRBYUUXAL-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN Cc1cc([C@H](C)NCc2cc3ccccc3s2)nn1C ZINC000282398804 1120616388 /nfs/dbraw/zinc/61/63/88/1120616388.db2.gz XUCVGDTWULHLSK-LBPRGKRZSA-N 0 1 285.416 3.794 20 0 CHADMN CSC[C@H]1CCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000191417278 1128928580 /nfs/dbraw/zinc/92/85/80/1128928580.db2.gz FLZLXELCJCMUEI-SECBINFHSA-N 0 1 289.803 3.512 20 0 CHADMN Cc1cnc(CNC[C@@H](c2ccccc2)C(C)C)o1 ZINC000232722204 1120621295 /nfs/dbraw/zinc/62/12/95/1120621295.db2.gz WWSQYPDTFLHCFG-OAHLLOKOSA-N 0 1 258.365 3.512 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC000073779036 1120627298 /nfs/dbraw/zinc/62/72/98/1120627298.db2.gz GRMRQZFXHAEURM-ZDUSSCGKSA-N 0 1 282.387 3.509 20 0 CHADMN CC(C)[N@@H+](Cc1coc(-c2ccccc2F)n1)C1CC1 ZINC000625084072 1120632106 /nfs/dbraw/zinc/63/21/06/1120632106.db2.gz LACNSXZQHJPFBX-UHFFFAOYSA-N 0 1 274.339 3.854 20 0 CHADMN CC(C)N(Cc1coc(-c2ccccc2F)n1)C1CC1 ZINC000625084072 1120632108 /nfs/dbraw/zinc/63/21/08/1120632108.db2.gz LACNSXZQHJPFBX-UHFFFAOYSA-N 0 1 274.339 3.854 20 0 CHADMN CC(C)CCN(Cc1nccn1-c1ccccc1)C1CC1 ZINC000361508648 1120632272 /nfs/dbraw/zinc/63/22/72/1120632272.db2.gz OCHVGWPAOONPAM-UHFFFAOYSA-N 0 1 283.419 3.883 20 0 CHADMN COc1cc(CN[C@H](C)c2ccccc2SC)sn1 ZINC000660481725 1120636696 /nfs/dbraw/zinc/63/66/96/1120636696.db2.gz XDLJUQBWLBGGRC-SNVBAGLBSA-N 0 1 294.445 3.724 20 0 CHADMN Cc1nc(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)co1 ZINC000660487218 1120637894 /nfs/dbraw/zinc/63/78/94/1120637894.db2.gz MVECXVNZGWTPLB-VBUUOAMHSA-N 0 1 282.387 3.894 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1ccncc1Br ZINC000625152362 1120640153 /nfs/dbraw/zinc/64/01/53/1120640153.db2.gz OARWZTJKFLLQBD-GHMZBOCLSA-N 0 1 283.213 3.607 20 0 CHADMN COC(=O)c1cc([C@@H](C)N[C@@H](C)c2ccccc2)oc1C ZINC000292485002 1120644669 /nfs/dbraw/zinc/64/46/69/1120644669.db2.gz RAVMQVCEHNOAND-NWDGAFQWSA-N 0 1 287.359 3.786 20 0 CHADMN CC[C@@H](C)N(CC)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000616978869 1120651711 /nfs/dbraw/zinc/65/17/11/1120651711.db2.gz IICGDNPMZFNBKL-GFCCVEGCSA-N 0 1 277.412 3.718 20 0 CHADMN Cc1nc(CN2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)co1 ZINC000660551234 1120655638 /nfs/dbraw/zinc/65/56/38/1120655638.db2.gz HWBVDBQLFJVHIZ-INIZCTEOSA-N 0 1 296.374 3.505 20 0 CHADMN C[C@@H]1CCN(Cc2ccnc(Cl)c2)CC1(C)C ZINC000759921047 1120656470 /nfs/dbraw/zinc/65/64/70/1120656470.db2.gz HJXVVMWIYGYGGW-LLVKDONJSA-N 0 1 252.789 3.603 20 0 CHADMN Cc1nc(CN2CC[C@@H](C(C)(C)C)C[C@H]2C)c(C)o1 ZINC000660557909 1120657384 /nfs/dbraw/zinc/65/73/84/1120657384.db2.gz OHPGCVZEARZWNS-BXUZGUMPSA-N 0 1 264.413 3.938 20 0 CHADMN CCCC[C@H](CC)CCN[C@H](C)c1nc(C)no1 ZINC000483348004 1120661873 /nfs/dbraw/zinc/66/18/73/1120661873.db2.gz DGVJROJMOWODGC-YPMHNXCESA-N 0 1 253.390 3.635 20 0 CHADMN COc1cncc(CN[C@@H](CC(C)(C)C)c2ccccc2)n1 ZINC000625287707 1120662262 /nfs/dbraw/zinc/66/22/62/1120662262.db2.gz PTIBDEZNJCRPAX-INIZCTEOSA-N 0 1 299.418 3.752 20 0 CHADMN CC[C@@H]1CN(Cc2cc3ccccc3s2)C[C@H](C)O1 ZINC000511854410 1120663632 /nfs/dbraw/zinc/66/36/32/1120663632.db2.gz HTCSJFPECKJMJS-GXTWGEPZSA-N 0 1 275.417 3.901 20 0 CHADMN COc1cc(CN[C@@H](C)c2cccc(C3CC3)c2)sn1 ZINC000660645450 1120672414 /nfs/dbraw/zinc/67/24/14/1120672414.db2.gz RCOIULGAOFNQRS-NSHDSACASA-N 0 1 288.416 3.880 20 0 CHADMN Cn1cc(-c2cccc([C@H]3COCCN3)c2)c2ccccc21 ZINC000629744544 1128932548 /nfs/dbraw/zinc/93/25/48/1128932548.db2.gz KKICVPNSZUFANO-GOSISDBHSA-N 0 1 292.382 3.506 20 0 CHADMN CCO[C@@H]1CCN(Cc2nsc3ccccc32)C[C@@H]1C ZINC000660720817 1120680938 /nfs/dbraw/zinc/68/09/38/1120680938.db2.gz RZHBNCCKONFABA-SWLSCSKDSA-N 0 1 290.432 3.543 20 0 CHADMN COc1cccc(CN2CC[C@@H](OC)C(C)(C)C2)c1Cl ZINC000660722517 1120681417 /nfs/dbraw/zinc/68/14/17/1120681417.db2.gz ZLXUCNPXXRTMDK-CQSZACIVSA-N 0 1 297.826 3.596 20 0 CHADMN c1c2cnccc2oc1CN1CCC[C@H]1c1ccccn1 ZINC000651615363 1120681505 /nfs/dbraw/zinc/68/15/05/1120681505.db2.gz QPEWHRLMFZQJJV-INIZCTEOSA-N 0 1 279.343 3.560 20 0 CHADMN CCCCN(Cc1coc(C)n1)[C@@H]1CCCC[C@H]1OC ZINC000660725243 1120681940 /nfs/dbraw/zinc/68/19/40/1120681940.db2.gz KTTQNTCJXJRERY-HZPDHXFCSA-N 0 1 280.412 3.543 20 0 CHADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@H]1C[C@H]1C ZINC000625459222 1120685182 /nfs/dbraw/zinc/68/51/82/1120685182.db2.gz UDJKHXKXGHXXCB-GMTAPVOTSA-N 0 1 277.799 3.865 20 0 CHADMN Cc1ncsc1CN(C)Cc1cccc2c1CCC2 ZINC000651631625 1120686743 /nfs/dbraw/zinc/68/67/43/1120686743.db2.gz VVIYTHSODYJNBX-UHFFFAOYSA-N 0 1 272.417 3.572 20 0 CHADMN CCC(C)(C)CCN(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660764363 1120687263 /nfs/dbraw/zinc/68/72/63/1120687263.db2.gz NUIIUKVJHOSXTL-HNNXBMFYSA-N 0 1 286.423 3.652 20 0 CHADMN C[C@H](NCc1ccc2c(n1)CCCC2)c1cccc(O)c1 ZINC000282462199 1120690550 /nfs/dbraw/zinc/69/05/50/1120690550.db2.gz VRMLSGYPEDLNIS-ZDUSSCGKSA-N 0 1 282.387 3.517 20 0 CHADMN C[C@H]1Cc2ccccc2[C@@H]1NCc1nc2c(s1)CCC2 ZINC000093075032 1120693978 /nfs/dbraw/zinc/69/39/78/1120693978.db2.gz XFMIPVLKDUGILU-APPDUMDISA-N 0 1 284.428 3.655 20 0 CHADMN Cc1ncsc1CN(C)CCOc1ccc(Cl)cc1 ZINC000066565861 1120694049 /nfs/dbraw/zinc/69/40/49/1120694049.db2.gz UHDFPZQUPBRGBV-UHFFFAOYSA-N 0 1 296.823 3.616 20 0 CHADMN COc1cccc(CN2CCC[C@H](OC(C)C)C2)c1Cl ZINC000660913040 1120699286 /nfs/dbraw/zinc/69/92/86/1120699286.db2.gz RAOCZAAXPPEETA-AWEZNQCLSA-N 0 1 297.826 3.738 20 0 CHADMN C[C@H]1CCN(Cc2cccnc2Cl)CC1(C)C ZINC000759924785 1120700869 /nfs/dbraw/zinc/70/08/69/1120700869.db2.gz ZWIPDQRNESCYMQ-NSHDSACASA-N 0 1 252.789 3.603 20 0 CHADMN Cc1ccc(-c2nnc([C@@H](C)N3C[C@@H]4CCCC[C@@H]43)o2)cc1 ZINC000660928542 1120704643 /nfs/dbraw/zinc/70/46/43/1120704643.db2.gz OWENGQVUJCCXQE-KBMXLJTQSA-N 0 1 297.402 3.980 20 0 CHADMN COc1cc(OC)c(CNCc2ccc(C)s2)cc1F ZINC000651680493 1120709263 /nfs/dbraw/zinc/70/92/63/1120709263.db2.gz JGMMXVOIGASFSO-UHFFFAOYSA-N 0 1 295.379 3.503 20 0 CHADMN C[C@@H](c1ccncc1)[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000191477547 1128934895 /nfs/dbraw/zinc/93/48/95/1128934895.db2.gz BOEXGHQXJGZVIK-JTQLQIEISA-N 0 1 294.757 3.773 20 0 CHADMN CCO[C@@H](C)c1nc(CN(CC)[C@@H](C)CC)cs1 ZINC000661105177 1120718649 /nfs/dbraw/zinc/71/86/49/1120718649.db2.gz DMWOWSWGDVUZQU-RYUDHWBXSA-N 0 1 270.442 3.861 20 0 CHADMN CCc1cccc(CN[C@H]2CCOc3cc(OC)ccc32)c1 ZINC000651723239 1120725381 /nfs/dbraw/zinc/72/53/81/1120725381.db2.gz IOCREAZDDOWGLF-SFHVURJKSA-N 0 1 297.398 3.871 20 0 CHADMN COc1ccnc(CN(Cc2ccsc2)C(C)(C)C)c1 ZINC000661136821 1120725982 /nfs/dbraw/zinc/72/59/82/1120725982.db2.gz WMQSKGONYJTMFQ-UHFFFAOYSA-N 0 1 290.432 3.952 20 0 CHADMN CC(C)c1cc(=O)n([C@H](C)c2ccc(Cl)cc2)[nH]1 ZINC000634601541 1128936221 /nfs/dbraw/zinc/93/62/21/1128936221.db2.gz PQNMZBSORAURJR-SNVBAGLBSA-N 0 1 264.756 3.645 20 0 CHADMN COC[C@@H](CC(C)(C)C)NCc1nc(C2CC2)cs1 ZINC000651739030 1120731801 /nfs/dbraw/zinc/73/18/01/1120731801.db2.gz HBBORFLKLXRGSW-GFCCVEGCSA-N 0 1 282.453 3.561 20 0 CHADMN COc1cccc2c1CN(Cc1ccc3[nH]ccc3c1)CC2 ZINC000628300304 1120734661 /nfs/dbraw/zinc/73/46/61/1120734661.db2.gz ZHQPRXGIFWPJAU-UHFFFAOYSA-N 0 1 292.382 3.735 20 0 CHADMN COCC[C@@H](NCc1cccc2c1CCC2)c1ccco1 ZINC000651757822 1120735910 /nfs/dbraw/zinc/73/59/10/1120735910.db2.gz DVVCUMTYUSJWFS-QGZVFWFLSA-N 0 1 285.387 3.636 20 0 CHADMN Cc1cnc([C@H](C)[N@H+]2CCc3ccccc3C(C)(C)C2)o1 ZINC000661213664 1120739263 /nfs/dbraw/zinc/73/92/63/1120739263.db2.gz VVRUEGWZMSZKGK-AWEZNQCLSA-N 0 1 284.403 3.880 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1ncc(C(C)(C)C)o1 ZINC000661233516 1120741455 /nfs/dbraw/zinc/74/14/55/1120741455.db2.gz HPOJFUDAELNEDL-NSHDSACASA-N 0 1 252.402 3.886 20 0 CHADMN C(c1nnc(C2CC2)s1)[N@H+]1CCCC2(CCCC2)CC1 ZINC000661231295 1120741495 /nfs/dbraw/zinc/74/14/95/1120741495.db2.gz LLDJBAJCRURZNR-UHFFFAOYSA-N 0 1 291.464 3.962 20 0 CHADMN C(c1nnc(C2CC2)s1)N1CCCC2(CCCC2)CC1 ZINC000661231295 1120741500 /nfs/dbraw/zinc/74/15/00/1120741500.db2.gz LLDJBAJCRURZNR-UHFFFAOYSA-N 0 1 291.464 3.962 20 0 CHADMN CCCC[N@@H+](CC)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000045003930 1120742738 /nfs/dbraw/zinc/74/27/38/1120742738.db2.gz LFFSBEUZFGLFNS-UHFFFAOYSA-N 0 1 288.391 3.972 20 0 CHADMN CCCCN(CC)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000045003930 1120742744 /nfs/dbraw/zinc/74/27/44/1120742744.db2.gz LFFSBEUZFGLFNS-UHFFFAOYSA-N 0 1 288.391 3.972 20 0 CHADMN CCCCN(C(=O)c1cc(-c2ccc(C)cc2)[nH]n1)C1CC1 ZINC000045370654 1120756821 /nfs/dbraw/zinc/75/68/21/1120756821.db2.gz BSZBSVPBJJCLDS-UHFFFAOYSA-N 0 1 297.402 3.790 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2ccoc2C)cc1 ZINC000320967436 1120765207 /nfs/dbraw/zinc/76/52/07/1120765207.db2.gz OFGPGEQPPHZYPX-GFCCVEGCSA-N 0 1 259.349 3.838 20 0 CHADMN CCn1cncc1CN(C)[C@H](C)CSc1ccccc1 ZINC000651876003 1120769038 /nfs/dbraw/zinc/76/90/38/1120769038.db2.gz ZIRFEPKHRUEDAC-CQSZACIVSA-N 0 1 289.448 3.516 20 0 CHADMN Cc1ccc2ncc(CN3CC4(CCC4)OC[C@H]3C)cc2c1 ZINC000661463113 1120769318 /nfs/dbraw/zinc/76/93/18/1120769318.db2.gz NJIFRUZUBZWCME-OAHLLOKOSA-N 0 1 296.414 3.687 20 0 CHADMN c1coc([C@H]2[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000661563219 1120779570 /nfs/dbraw/zinc/77/95/70/1120779570.db2.gz WNCMNBWLKJGPPG-QGZVFWFLSA-N 0 1 283.371 3.633 20 0 CHADMN c1coc([C@H]2N(Cc3ccccc3)CC23CCOCC3)c1 ZINC000661563219 1120779572 /nfs/dbraw/zinc/77/95/72/1120779572.db2.gz WNCMNBWLKJGPPG-QGZVFWFLSA-N 0 1 283.371 3.633 20 0 CHADMN Cc1ccccc1C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000661563490 1120779590 /nfs/dbraw/zinc/77/95/90/1120779590.db2.gz YFFCSZNALZJFGH-SFHVURJKSA-N 0 1 297.398 3.942 20 0 CHADMN Cc1ccccc1CN1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000661563490 1120779593 /nfs/dbraw/zinc/77/95/93/1120779593.db2.gz YFFCSZNALZJFGH-SFHVURJKSA-N 0 1 297.398 3.942 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)[C@H]2CCCC[C@H]12 ZINC000473117312 1120781058 /nfs/dbraw/zinc/78/10/58/1120781058.db2.gz BLUBSHIZZQBMRU-MXWKQRLJSA-N 0 1 270.829 3.807 20 0 CHADMN C[C@@H]1CN(Cc2ncc(Cl)s2)[C@H]2CCCC[C@H]12 ZINC000473117312 1120781059 /nfs/dbraw/zinc/78/10/59/1120781059.db2.gz BLUBSHIZZQBMRU-MXWKQRLJSA-N 0 1 270.829 3.807 20 0 CHADMN Oc1cc(F)cc(CN2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000473131406 1120792642 /nfs/dbraw/zinc/79/26/42/1120792642.db2.gz GYHFDHXXCHVGAJ-AWEZNQCLSA-N 0 1 289.325 3.660 20 0 CHADMN Cc1noc([C@H](C)N2CCC[C@H](c3ccccc3)CC2)n1 ZINC000066898078 1120802581 /nfs/dbraw/zinc/80/25/81/1120802581.db2.gz MYMRYWRUTZHQCC-BBRMVZONSA-N 0 1 285.391 3.709 20 0 CHADMN CC[C@H](OCCN[C@H]1C[C@@H](C)n2ccnc21)c1ccccc1 ZINC000652235643 1120802779 /nfs/dbraw/zinc/80/27/79/1120802779.db2.gz NOMJBFMMLIZYBO-PVAVHDDUSA-N 0 1 299.418 3.646 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN(C)CCC(C)C ZINC000048349324 1120812561 /nfs/dbraw/zinc/81/25/61/1120812561.db2.gz WGRXTRUFRBICMV-UHFFFAOYSA-N 0 1 277.408 3.766 20 0 CHADMN Cc1nc(CN[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)c(C)o1 ZINC000661842471 1120823477 /nfs/dbraw/zinc/82/34/77/1120823477.db2.gz CHYLTAFMBTXUET-CABCVRRESA-N 0 1 292.423 3.507 20 0 CHADMN CO[C@H](CN[C@H](C)c1cccnc1Cl)c1ccccc1 ZINC000178457690 1120831879 /nfs/dbraw/zinc/83/18/79/1120831879.db2.gz GKYUIAVZYGQMFG-IUODEOHRSA-N 0 1 290.794 3.773 20 0 CHADMN CC[C@@H](C)c1cccc(NC(=O)c2[nH]c(C)nc2C)c1 ZINC000630020560 1128944534 /nfs/dbraw/zinc/94/45/34/1128944534.db2.gz DTNQWYFKEAIGKG-SNVBAGLBSA-N 0 1 271.364 3.792 20 0 CHADMN C[N@H+](Cc1cc(C(=O)[O-])ccc1Cl)CC1CCCC1 ZINC000652404561 1120855074 /nfs/dbraw/zinc/85/50/74/1120855074.db2.gz CJUSXTMGTREPAI-UHFFFAOYSA-N 0 1 281.783 3.660 20 0 CHADMN CC(C)CCc1noc(CN[C@H](C)C2CCC(F)CC2)n1 ZINC000662000155 1120856372 /nfs/dbraw/zinc/85/63/72/1120856372.db2.gz JUXLXGXPOKKMFO-IYXRBSQSSA-N 0 1 297.418 3.665 20 0 CHADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000652409225 1120856950 /nfs/dbraw/zinc/85/69/50/1120856950.db2.gz ZPSXLWRAXBMGPH-QAPCUYQASA-N 0 1 297.398 3.856 20 0 CHADMN CC[C@H](C)[C@H](C)[N@@H+](Cc1csc(C(=O)[O-])c1)C1CC1 ZINC000652410305 1120857371 /nfs/dbraw/zinc/85/73/71/1120857371.db2.gz XRVNBXGIXVDOLB-QWRGUYRKSA-N 0 1 281.421 3.845 20 0 CHADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000652415392 1120859604 /nfs/dbraw/zinc/85/96/04/1120859604.db2.gz NSDHCMJUYIZIQZ-INIZCTEOSA-N 0 1 291.366 3.679 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C[C@@H]1C ZINC000652418356 1120859755 /nfs/dbraw/zinc/85/97/55/1120859755.db2.gz HXNOZHBCZGBUNH-MNOVXSKESA-N 0 1 281.783 3.516 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc3c(c2)CCC3)o1 ZINC000049592575 1120860546 /nfs/dbraw/zinc/86/05/46/1120860546.db2.gz WSBOWGJHLJCVDZ-ZDUSSCGKSA-N 0 1 255.361 3.928 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@H+]1CC[C@H](C(=O)[O-])c1ccccc1 ZINC000652425169 1120860585 /nfs/dbraw/zinc/86/05/85/1120860585.db2.gz DRMLXDSHAKPNJW-JKSUJKDBSA-N 0 1 289.419 3.755 20 0 CHADMN CCC(CC)CCC[N@@H+](C)[C@H](C)c1cnc(C)cn1 ZINC000662039464 1120861788 /nfs/dbraw/zinc/86/17/88/1120861788.db2.gz VRJUYXRIRZQOPS-CQSZACIVSA-N 0 1 263.429 3.994 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000652435419 1120862429 /nfs/dbraw/zinc/86/24/29/1120862429.db2.gz HEAZWSMXYHNIPR-INIZCTEOSA-N 0 1 289.419 3.596 20 0 CHADMN Cc1ccc2ccccc2c1C[N@@H+](CCC(=O)[O-])CC1CC1 ZINC000652467978 1120868678 /nfs/dbraw/zinc/86/86/78/1120868678.db2.gz RFFBXZJKRUHVTM-UHFFFAOYSA-N 0 1 297.398 3.835 20 0 CHADMN C[C@H](C[N@H+]1CCc2cccc(C(=O)[O-])c2C1)c1ccccc1 ZINC000652488415 1120871046 /nfs/dbraw/zinc/87/10/46/1120871046.db2.gz RXAQQOJFIVESOK-CQSZACIVSA-N 0 1 295.382 3.547 20 0 CHADMN Cc1cc(C)cc(C[N@@H+](CC(=O)[O-])C2CCCCC2)c1 ZINC000652482628 1120871999 /nfs/dbraw/zinc/87/19/99/1120871999.db2.gz MAHQHKLSCROWCA-UHFFFAOYSA-N 0 1 275.392 3.523 20 0 CHADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(C2CCCC2)cc1 ZINC000652504171 1120873805 /nfs/dbraw/zinc/87/38/05/1120873805.db2.gz ZLQYBNCTFHLGLS-DYVFJYSZSA-N 0 1 287.403 3.639 20 0 CHADMN CC[C@H]1CCCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC000247124908 1120874712 /nfs/dbraw/zinc/87/47/12/1120874712.db2.gz OCNXZGYDKNVDLO-OLZOCXBDSA-N 0 1 265.401 3.766 20 0 CHADMN CC[C@@H]1CCCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC000247124897 1120874829 /nfs/dbraw/zinc/87/48/29/1120874829.db2.gz OCNXZGYDKNVDLO-CHWSQXEVSA-N 0 1 265.401 3.766 20 0 CHADMN CC[C@@H](c1ccccc1)N(Cc1ncccn1)C(C)C ZINC000662105919 1120876772 /nfs/dbraw/zinc/87/67/72/1120876772.db2.gz XVUVZCYULCBXAJ-INIZCTEOSA-N 0 1 269.392 3.838 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000251374683 1120882997 /nfs/dbraw/zinc/88/29/97/1120882997.db2.gz QYBXNUOSYRXQIG-AAEUAGOBSA-N 0 1 295.345 3.542 20 0 CHADMN CCCCC[C@@H]1CCCCN1Cc1nc(CC)no1 ZINC000662157194 1120889034 /nfs/dbraw/zinc/88/90/34/1120889034.db2.gz UMYQNITUOYNJGC-CYBMUJFWSA-N 0 1 265.401 3.567 20 0 CHADMN Cc1noc(C)c1CN1CC=C(c2ccc(C)cc2)CC1 ZINC000053813128 1120890450 /nfs/dbraw/zinc/89/04/50/1120890450.db2.gz UBVFKTOHFLLPQT-UHFFFAOYSA-N 0 1 282.387 3.889 20 0 CHADMN Clc1cnc(CN(CCC2CC2)CC2CC2)s1 ZINC000662177331 1120891463 /nfs/dbraw/zinc/89/14/63/1120891463.db2.gz DPNQIOBRDDABFD-UHFFFAOYSA-N 0 1 270.829 3.809 20 0 CHADMN C(CN(Cc1nc(C2CCCC2)no1)CC1CC1)C1CC1 ZINC000662180021 1120892249 /nfs/dbraw/zinc/89/22/49/1120892249.db2.gz XHSAGPPAXXIRRU-UHFFFAOYSA-N 0 1 289.423 3.739 20 0 CHADMN Cc1nnc([C@@H](C)N(C)C[C@@H]2CCc3ccccc32)s1 ZINC000662198906 1120895973 /nfs/dbraw/zinc/89/59/73/1120895973.db2.gz XISUVSACTXAGFX-RISCZKNCSA-N 0 1 287.432 3.569 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@H](C3CCCCC3)C2)o1 ZINC000662201235 1120898266 /nfs/dbraw/zinc/89/82/66/1120898266.db2.gz KWKYXXKOVLDWTL-DOMZBBRYSA-N 0 1 277.412 3.731 20 0 CHADMN Cc1cc(CN2CCC[C@H](C3CCCCC3)C2)no1 ZINC000662201192 1120898819 /nfs/dbraw/zinc/89/88/19/1120898819.db2.gz KGOOBPTVVJBPRB-HNNXBMFYSA-N 0 1 262.397 3.775 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC[C@@H](C)C1 ZINC000014914633 1120902064 /nfs/dbraw/zinc/90/20/64/1120902064.db2.gz UVKSEKHFHHXPBY-YPMHNXCESA-N 0 1 294.826 3.707 20 0 CHADMN CCN(C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1)C(C)C ZINC000188571057 1120924514 /nfs/dbraw/zinc/92/45/14/1120924514.db2.gz JPTXYQUQOYYHAS-UHFFFAOYSA-N 0 1 285.391 3.564 20 0 CHADMN Clc1ccc(Cl)c(CNCC2SCCS2)c1 ZINC000692874760 1120925445 /nfs/dbraw/zinc/92/54/45/1120925445.db2.gz MOHMFVDDAZHZLS-UHFFFAOYSA-N 0 1 294.272 3.889 20 0 CHADMN CCc1nc(C)c(CN2CC3CC2(c2ccccc2)C3)o1 ZINC000662332192 1120927625 /nfs/dbraw/zinc/92/76/25/1120927625.db2.gz ODPFXVGVPWXOBZ-UHFFFAOYSA-N 0 1 282.387 3.667 20 0 CHADMN CC(C)c1cccc(CN[C@H](CC(N)=O)c2ccccc2)c1 ZINC000663326139 1120927916 /nfs/dbraw/zinc/92/79/16/1120927916.db2.gz QECQQBSXCCOXTF-GOSISDBHSA-N 0 1 296.414 3.516 20 0 CHADMN CC(C)(C)c1nc(CN[C@@]2(c3ccccc3)CC2(C)C)n[nH]1 ZINC000662339640 1120928201 /nfs/dbraw/zinc/92/82/01/1120928201.db2.gz BDOKOGYDQPWAAX-GOSISDBHSA-N 0 1 298.434 3.517 20 0 CHADMN Cc1ncc(CN[C@]2(c3ccccc3)CC2(C)C)s1 ZINC000662342919 1120928432 /nfs/dbraw/zinc/92/84/32/1120928432.db2.gz LUOKEOIYOFCEKZ-INIZCTEOSA-N 0 1 272.417 3.867 20 0 CHADMN COc1cc(C)nc(CN[C@@]2(c3ccccc3)CC2(C)C)c1 ZINC000662342962 1120928628 /nfs/dbraw/zinc/92/86/28/1120928628.db2.gz MPFCEVWSZQSXAP-LJQANCHMSA-N 0 1 296.414 3.814 20 0 CHADMN CC[C@@H](NCCC(=O)c1ccc(C)cc1)c1nccs1 ZINC000161909909 1120930998 /nfs/dbraw/zinc/93/09/98/1120930998.db2.gz NABKHJTYUBBEPF-CQSZACIVSA-N 0 1 288.416 3.765 20 0 CHADMN CC12CC(C1)CN2Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000662383362 1120933041 /nfs/dbraw/zinc/93/30/41/1120933041.db2.gz YPFRPJYYNQSCPS-UHFFFAOYSA-N 0 1 296.292 3.831 20 0 CHADMN CCC=C(C)C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000213810899 1120933907 /nfs/dbraw/zinc/93/39/07/1120933907.db2.gz CLGMOPCYQWEIGZ-JQVXPOPVSA-N 0 1 285.391 3.733 20 0 CHADMN C[C@H]1CC[C@H](C)[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000162119198 1120935889 /nfs/dbraw/zinc/93/58/89/1120935889.db2.gz UALOFSFQZNQVNM-QWRGUYRKSA-N 0 1 250.411 3.641 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2csc(C3CC3)n2)C1 ZINC000162119198 1120935891 /nfs/dbraw/zinc/93/58/91/1120935891.db2.gz UALOFSFQZNQVNM-QWRGUYRKSA-N 0 1 250.411 3.641 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C[C@@H]2C=CCCC2)c1 ZINC000643305153 1120949201 /nfs/dbraw/zinc/94/92/01/1120949201.db2.gz SWFBRXQEXHQZAC-GFCCVEGCSA-N 0 1 287.359 3.670 20 0 CHADMN CCc1cccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)c1CC ZINC000489519603 1120951096 /nfs/dbraw/zinc/95/10/96/1120951096.db2.gz HLEHMGMWAFRULQ-CQSZACIVSA-N 0 1 297.402 3.593 20 0 CHADMN CN(CC[C@H](O)c1ccccc1)Cc1ccccc1Cl ZINC000053933632 1120955311 /nfs/dbraw/zinc/95/53/11/1120955311.db2.gz YSKAOMDYQWDZNA-KRWDZBQOSA-N 0 1 289.806 3.896 20 0 CHADMN Cc1ccc2nc(SCC[C@H]3CCCCO3)[nH]c2c1 ZINC000544625186 1120957638 /nfs/dbraw/zinc/95/76/38/1120957638.db2.gz BGZDELWQMHZLHB-GFCCVEGCSA-N 0 1 276.405 3.923 20 0 CHADMN CC(C)C[C@H]1CCCCCN1C(=O)c1cccc(F)c1O ZINC001126277550 1120966861 /nfs/dbraw/zinc/96/68/61/1120966861.db2.gz IDJQEHZOUPSWBW-CYBMUJFWSA-N 0 1 293.382 3.962 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(C)Cc1csc(C)n1 ZINC000128700571 1120971469 /nfs/dbraw/zinc/97/14/69/1120971469.db2.gz BIBVCBIOEVZHJW-INIZCTEOSA-N 0 1 274.433 3.905 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cccc(C)c1C ZINC000078679744 1128954808 /nfs/dbraw/zinc/95/48/08/1128954808.db2.gz XQMWPVTYJFVUQY-LBPRGKRZSA-N 0 1 258.365 3.759 20 0 CHADMN COc1ccc(CNCc2ccc(C(F)F)cc2)o1 ZINC000893620693 1120996544 /nfs/dbraw/zinc/99/65/44/1120996544.db2.gz DKTPHDLQXMAXFE-UHFFFAOYSA-N 0 1 267.275 3.516 20 0 CHADMN COc1cncc(C[N@@H+](Cc2ccc(F)cc2)C(C)C)c1 ZINC000343959974 1120999407 /nfs/dbraw/zinc/99/94/07/1120999407.db2.gz ASNKGGBNHOBKRY-UHFFFAOYSA-N 0 1 288.366 3.640 20 0 CHADMN COc1cncc(CN(Cc2ccc(F)cc2)C(C)C)c1 ZINC000343959974 1120999410 /nfs/dbraw/zinc/99/94/10/1120999410.db2.gz ASNKGGBNHOBKRY-UHFFFAOYSA-N 0 1 288.366 3.640 20 0 CHADMN C[C@H](NCc1ccc(F)cc1)c1cnn(-c2ccccc2)c1 ZINC000317278102 1121003049 /nfs/dbraw/zinc/00/30/49/1121003049.db2.gz SRCBPIOPQWGJHC-AWEZNQCLSA-N 0 1 295.361 3.862 20 0 CHADMN c1ccc(Cc2noc([C@@H]3CC[C@@H]4CCCC[C@@H]4N3)n2)cc1 ZINC000317243544 1121004019 /nfs/dbraw/zinc/00/40/19/1121004019.db2.gz ZLBJDORJJSUKCL-JYJNAYRXSA-N 0 1 297.402 3.644 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H]2CCCCC2(F)F)cs1 ZINC000390866891 1121012272 /nfs/dbraw/zinc/01/22/72/1121012272.db2.gz NLGOYQOZCMSKDP-MWLCHTKSSA-N 0 1 274.380 3.928 20 0 CHADMN Cc1nccc(N2CCC=C(c3ccncc3)C2)c1Cl ZINC000343976879 1121015475 /nfs/dbraw/zinc/01/54/75/1121015475.db2.gz RXTIKLUJMRBQGZ-UHFFFAOYSA-N 0 1 285.778 3.732 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@@H]1CCCc2nc(C)ncc21 ZINC000766045665 1121019522 /nfs/dbraw/zinc/01/95/22/1121019522.db2.gz UKSDOXPQSQMHNM-MLGOLLRUSA-N 0 1 297.402 3.522 20 0 CHADMN C1CN[C@H](c2noc([C@@H]3CC[C@@H]4CCCC[C@@H]4C3)n2)C1 ZINC000168290255 1121022715 /nfs/dbraw/zinc/02/27/15/1121022715.db2.gz BXNPTPZXZXFQSD-DGAVXFQQSA-N 0 1 275.396 3.568 20 0 CHADMN Cc1noc([C@H](C)N2CCCC3(C2)CCCCCC3)n1 ZINC000075968328 1121024391 /nfs/dbraw/zinc/02/43/91/1121024391.db2.gz AIVDALQEFYDUGL-ZDUSSCGKSA-N 0 1 277.412 3.875 20 0 CHADMN CC[C@H](NCc1ccc(Cl)nc1)c1c(C)noc1C ZINC000121320778 1121024792 /nfs/dbraw/zinc/02/47/92/1121024792.db2.gz VGDMTASOGZPKDG-LBPRGKRZSA-N 0 1 279.771 3.581 20 0 CHADMN CCCCC[C@@H]1CCCCN1[C@@H](C)C(=O)OCCC ZINC001174780275 1121028347 /nfs/dbraw/zinc/02/83/47/1121028347.db2.gz OCAKCWTWOKKZGN-LSDHHAIUSA-N 0 1 269.429 3.763 20 0 CHADMN Cn1c(Cl)ncc1CNCc1ccc2ccccc2c1 ZINC001649122366 1121029450 /nfs/dbraw/zinc/02/94/50/1121029450.db2.gz GDMFKWVDLAIEGS-UHFFFAOYSA-N 0 1 285.778 3.517 20 0 CHADMN CC(F)(F)CNc1cc(OCc2ccccc2)ccn1 ZINC001162228051 1121030726 /nfs/dbraw/zinc/03/07/26/1121030726.db2.gz HDABEPDAMWCACK-UHFFFAOYSA-N 0 1 278.302 3.728 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)C1CCCC1 ZINC000161961478 1121032634 /nfs/dbraw/zinc/03/26/34/1121032634.db2.gz KDLQQPJMSFONCI-UHFFFAOYSA-N 0 1 283.375 3.959 20 0 CHADMN Cc1ccccc1OCCN(C)Cc1ccccc1F ZINC000058887280 1121043590 /nfs/dbraw/zinc/04/35/90/1121043590.db2.gz LWPMFVFSOLPSTA-UHFFFAOYSA-N 0 1 273.351 3.645 20 0 CHADMN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccn[nH]1 ZINC000049652619 1121049301 /nfs/dbraw/zinc/04/93/01/1121049301.db2.gz ZYSFFLPNSOSQCA-MRVPVSSYSA-N 0 1 298.173 3.550 20 0 CHADMN CC(C)CC1(C)CCN(Cc2cncc(F)c2)CC1 ZINC000343999181 1121050174 /nfs/dbraw/zinc/05/01/74/1121050174.db2.gz VTOZYESSAVQRQT-UHFFFAOYSA-N 0 1 264.388 3.869 20 0 CHADMN CCC(CC)N(CC)Cc1nc(C2CCCC2)no1 ZINC000344029631 1121058383 /nfs/dbraw/zinc/05/83/83/1121058383.db2.gz NNDGPFRLZAQPTQ-UHFFFAOYSA-N 0 1 265.401 3.738 20 0 CHADMN C[C@@H](Nc1cnn(-c2ccncc2)c1)C1CCCCC1 ZINC000674048360 1121059925 /nfs/dbraw/zinc/05/99/25/1121059925.db2.gz LCOCPXSBRYJQJP-CYBMUJFWSA-N 0 1 270.380 3.648 20 0 CHADMN OCc1cc(Nc2ccc(Oc3cccnc3)cc2)ccn1 ZINC001174848232 1121064661 /nfs/dbraw/zinc/06/46/61/1121064661.db2.gz AEXDXBXSRBVWPI-UHFFFAOYSA-N 0 1 293.326 3.505 20 0 CHADMN COc1cccc(C2(N[C@@H](C)c3cccc(O)c3)CC2)c1 ZINC000282518456 1121066500 /nfs/dbraw/zinc/06/65/00/1121066500.db2.gz ZKZPZNPTTMRJFY-ZDUSSCGKSA-N 0 1 283.371 3.741 20 0 CHADMN CCc1cnc(CN2CC(C)(C)CCC2(C)C)o1 ZINC000625723229 1121070802 /nfs/dbraw/zinc/07/08/02/1121070802.db2.gz NQPJDPMPXJMHBM-UHFFFAOYSA-N 0 1 250.386 3.638 20 0 CHADMN CCC(CC)[N@@H+](CC)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000344063114 1121071071 /nfs/dbraw/zinc/07/10/71/1121071071.db2.gz ODNDOZSTEOKSOZ-UHFFFAOYSA-N 0 1 291.395 3.957 20 0 CHADMN CC(C)(C)C1CCC(CN2CCn3nccc3C2)CC1 ZINC001174863713 1121072286 /nfs/dbraw/zinc/07/22/86/1121072286.db2.gz SVXSEAKFKKIPAS-UHFFFAOYSA-N 0 1 275.440 3.551 20 0 CHADMN CCc1nc([C@H](C)N[C@@H]2C[C@@H](OC)C2(CC)CC)cs1 ZINC000344073668 1121073741 /nfs/dbraw/zinc/07/37/41/1121073741.db2.gz MFGHDOCCOBZMMZ-IACUBPJLSA-N 0 1 296.480 3.950 20 0 CHADMN CCN1C[C@H](C)N(C(=O)CCCCC(C)(C)C)C[C@H]1C ZINC001127684115 1128960567 /nfs/dbraw/zinc/96/05/67/1128960567.db2.gz QGPCCOUJQBMPHT-CABCVRRESA-N 0 1 282.472 3.534 20 0 CHADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)OCc1cccc(C(F)F)c1 ZINC001128621959 1121087786 /nfs/dbraw/zinc/08/77/86/1121087786.db2.gz SOOZSDBWYHKTQT-CQSZACIVSA-N 0 1 297.345 3.540 20 0 CHADMN CC(C)N1CCC[C@@H]1C(=O)OCc1cccc(C(F)F)c1 ZINC001128621959 1121087793 /nfs/dbraw/zinc/08/77/93/1121087793.db2.gz SOOZSDBWYHKTQT-CQSZACIVSA-N 0 1 297.345 3.540 20 0 CHADMN C[C@@H](N[C@H]1COc2ccc(F)cc21)c1ccc2c(c1)COC2 ZINC000344111133 1121088274 /nfs/dbraw/zinc/08/82/74/1121088274.db2.gz TWBGUPRTCYAOOA-DIFFPNOSSA-N 0 1 299.345 3.640 20 0 CHADMN Cc1ccc(C)c(NCc2cnccc2C(F)(F)F)n1 ZINC001162288298 1121088465 /nfs/dbraw/zinc/08/84/65/1121088465.db2.gz ZRQKGRQXIMRDQV-UHFFFAOYSA-N 0 1 281.281 3.724 20 0 CHADMN CCN(Cc1cncc(OC)c1)[C@@H](C)c1ccc(F)cc1 ZINC000344114413 1121089676 /nfs/dbraw/zinc/08/96/76/1121089676.db2.gz VTWKKIDJVRGVKV-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN CC(C)CCNC(=O)[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000037980661 1121089984 /nfs/dbraw/zinc/08/99/84/1121089984.db2.gz FJELZIIAUGPVDK-OLZOCXBDSA-N 0 1 296.842 3.541 20 0 CHADMN Cc1n[nH]cc1CN[C@H](C)c1oc2ccccc2c1C ZINC000038011416 1121094461 /nfs/dbraw/zinc/09/44/61/1121094461.db2.gz UFNMVMPNWMWYPP-GFCCVEGCSA-N 0 1 269.348 3.624 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@H](C)c1cncc(C)c1)CCO2 ZINC000344121485 1121094616 /nfs/dbraw/zinc/09/46/16/1121094616.db2.gz DMQCWTOJQSDQDP-CXAGYDPISA-N 0 1 298.386 3.573 20 0 CHADMN Cc1nc(C[N@H+]2CC[C@H](c3cccc(C)c3)C2)cs1 ZINC000344146316 1121102598 /nfs/dbraw/zinc/10/25/98/1121102598.db2.gz FSZHTUSUPBVUSN-HNNXBMFYSA-N 0 1 272.417 3.749 20 0 CHADMN Cc1nc(CN2CC[C@H](c3cccc(C)c3)C2)cs1 ZINC000344146316 1121102600 /nfs/dbraw/zinc/10/26/00/1121102600.db2.gz FSZHTUSUPBVUSN-HNNXBMFYSA-N 0 1 272.417 3.749 20 0 CHADMN CCCCCC(C)(C)C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001127685007 1128963227 /nfs/dbraw/zinc/96/32/27/1128963227.db2.gz ZOYUXECJACPHIB-CABCVRRESA-N 0 1 282.472 3.534 20 0 CHADMN CCCCCC(C)(C)C(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001127685007 1128963231 /nfs/dbraw/zinc/96/32/31/1128963231.db2.gz ZOYUXECJACPHIB-CABCVRRESA-N 0 1 282.472 3.534 20 0 CHADMN C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@H](C)C1 ZINC000261381460 1121119041 /nfs/dbraw/zinc/11/90/41/1121119041.db2.gz DXOJADLRPRVPKH-UONOGXRCSA-N 0 1 288.435 3.653 20 0 CHADMN Fc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1F ZINC000661880375 1121119361 /nfs/dbraw/zinc/11/93/61/1121119361.db2.gz INAYEGLEIZPWBP-CJNGLKHVSA-N 0 1 295.373 3.746 20 0 CHADMN Fc1cccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c1F ZINC000661880375 1121119363 /nfs/dbraw/zinc/11/93/63/1121119363.db2.gz INAYEGLEIZPWBP-CJNGLKHVSA-N 0 1 295.373 3.746 20 0 CHADMN CC[C@]1(C)CCN(Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000344223545 1121124863 /nfs/dbraw/zinc/12/48/63/1121124863.db2.gz SXYXEZHICKZYNC-QGZVFWFLSA-N 0 1 285.391 3.667 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC2(CCC2)C1 ZINC000344222713 1121125509 /nfs/dbraw/zinc/12/55/09/1121125509.db2.gz UKLQNKRNHPXLEL-NSHDSACASA-N 0 1 251.320 3.902 20 0 CHADMN Cc1cc(CCC(=O)N[C@H](c2ccccc2)C(C)(C)C)n[nH]1 ZINC001626099009 1121125886 /nfs/dbraw/zinc/12/58/86/1121125886.db2.gz BSMFZPITPDBDJY-QGZVFWFLSA-N 0 1 299.418 3.554 20 0 CHADMN COc1cc(Nc2cnc3cccc(C)n23)ccc1C ZINC001175016697 1121135743 /nfs/dbraw/zinc/13/57/43/1121135743.db2.gz MJKFHKBYOSPIDF-UHFFFAOYSA-N 0 1 267.332 3.703 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1ccccc1F)c1cnn(C)c1 ZINC000922892684 1121143314 /nfs/dbraw/zinc/14/33/14/1121143314.db2.gz FYIGFDYUUFHZID-MLGOLLRUSA-N 0 1 275.371 3.607 20 0 CHADMN C/C=C/C[C@@H]1CCCN(Cc2ccsc2C(=O)OC)C1 ZINC001175045321 1121157711 /nfs/dbraw/zinc/15/77/11/1121157711.db2.gz PVZPNIIZXDKXQE-ITDFMYJTSA-N 0 1 293.432 3.713 20 0 CHADMN CC(C)(C)c1csc(CNC[C@]2(C)CC2(F)F)n1 ZINC000701651439 1121163668 /nfs/dbraw/zinc/16/36/68/1121163668.db2.gz DOGQJEWRHZFZIW-LBPRGKRZSA-N 0 1 274.380 3.576 20 0 CHADMN Cc1ccncc1CCN[C@H](C)c1csc(C(C)C)n1 ZINC000658122589 1121167260 /nfs/dbraw/zinc/16/72/60/1121167260.db2.gz GEQPWBGSUFYXKD-CYBMUJFWSA-N 0 1 289.448 3.863 20 0 CHADMN COc1cc(Nc2cc(C)c(OC)cc2C)ncc1C ZINC001175109745 1121169005 /nfs/dbraw/zinc/16/90/05/1121169005.db2.gz GCJXMZRIYIGXIQ-UHFFFAOYSA-N 0 1 272.348 3.768 20 0 CHADMN CC[C@H](CC1CCCC1)C(=O)N1CCN(CC)C[C@H]1CC ZINC001128872937 1121193170 /nfs/dbraw/zinc/19/31/70/1121193170.db2.gz WLKNUFVKSOKWRR-IAGOWNOFSA-N 0 1 294.483 3.536 20 0 CHADMN CN(CCCOC(C)(C)C)Cc1ccc(F)cc1F ZINC000674903608 1121193329 /nfs/dbraw/zinc/19/33/29/1121193329.db2.gz ZECJKNJJSSWVGM-UHFFFAOYSA-N 0 1 271.351 3.602 20 0 CHADMN Nc1nc2ccccc2n1-c1cccc(C(F)(F)F)c1F ZINC001175135399 1121197618 /nfs/dbraw/zinc/19/76/18/1121197618.db2.gz KZYFSUPVSLTUKB-UHFFFAOYSA-N 0 1 295.239 3.766 20 0 CHADMN COC[C@H](N[C@@H](C)c1ccsc1)c1cccc(OC)c1 ZINC000658165611 1121198279 /nfs/dbraw/zinc/19/82/79/1121198279.db2.gz SBDJAWVQFCFDDY-LRDDRELGSA-N 0 1 291.416 3.795 20 0 CHADMN CCCCCCOc1ccc(-n2cnc(C)c2N)cc1 ZINC001175192583 1121203847 /nfs/dbraw/zinc/20/38/47/1121203847.db2.gz HAOCTIZJJLBSGR-UHFFFAOYSA-N 0 1 273.380 3.722 20 0 CHADMN CCO[C@@H]1C[C@@H](N(C)Cc2conc2C)C12CCCCC2 ZINC000351660029 1121204589 /nfs/dbraw/zinc/20/45/89/1121204589.db2.gz WXGDDEZVUPIGES-HZPDHXFCSA-N 0 1 292.423 3.543 20 0 CHADMN C[C@@H](c1ccccc1F)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000675023756 1121208874 /nfs/dbraw/zinc/20/88/74/1121208874.db2.gz MGALEJWECCXVRK-LBPRGKRZSA-N 0 1 295.361 3.862 20 0 CHADMN c1cc2c(c(CNCc3ccc(C4CC4)cc3)c1)OCO2 ZINC000094519321 1121209936 /nfs/dbraw/zinc/20/99/36/1121209936.db2.gz XRHNBYHOCCGMRM-UHFFFAOYSA-N 0 1 281.355 3.583 20 0 CHADMN CC(C)CC(C)(C)CNC(=O)c1ccc(O)c(Cl)c1 ZINC000391364713 1121228318 /nfs/dbraw/zinc/22/83/18/1121228318.db2.gz PKZHSQNNTXLADD-UHFFFAOYSA-N 0 1 283.799 3.848 20 0 CHADMN Cc1cc([C@@H](C)NCc2cncc(F)c2)c(C)s1 ZINC000230938504 1121228476 /nfs/dbraw/zinc/22/84/76/1121228476.db2.gz FBPUDVRBUQWSFQ-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN CCC(C)(C)[N@@H+](C)CC(=O)Nc1cccc(C(C)C)c1 ZINC000512256658 1121230808 /nfs/dbraw/zinc/23/08/08/1121230808.db2.gz CFKITMJSMUIMCZ-UHFFFAOYSA-N 0 1 276.424 3.869 20 0 CHADMN CCOc1ccc(CNCc2c(C)cccc2F)cc1F ZINC000785476985 1121236177 /nfs/dbraw/zinc/23/61/77/1121236177.db2.gz IXJVWFIWUIEFHR-UHFFFAOYSA-N 0 1 291.341 3.962 20 0 CHADMN C1CS[C@H](c2noc([C@@H]3CC[C@@H]4CCCC[C@H]4N3)n2)C1 ZINC000250863050 1121238153 /nfs/dbraw/zinc/23/81/53/1121238153.db2.gz QSDIASFHKBHXJM-RNJOBUHISA-N 0 1 293.436 3.621 20 0 CHADMN CCOc1ccc(Nc2cc(OC)c(C)cn2)c(C)c1 ZINC001175243020 1121241903 /nfs/dbraw/zinc/24/19/03/1121241903.db2.gz QXKVCXJFXRAUOH-UHFFFAOYSA-N 0 1 272.348 3.849 20 0 CHADMN C[C@@H]1CC[C@H]2C(=O)N(Cc3cc(Cl)ccc3Cl)N=C12 ZINC000634626756 1128972614 /nfs/dbraw/zinc/97/26/14/1128972614.db2.gz LKOIWRBUUUSDNA-LDYMZIIASA-N 0 1 297.185 3.738 20 0 CHADMN C[C@@H]1CCc2c(=O)n(Cc3cc(Cl)ccc3Cl)[nH]c21 ZINC000634626756 1128972619 /nfs/dbraw/zinc/97/26/19/1128972619.db2.gz LKOIWRBUUUSDNA-LDYMZIIASA-N 0 1 297.185 3.738 20 0 CHADMN CCS[C@@H]1CCCCN([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000112090161 1121250527 /nfs/dbraw/zinc/25/05/27/1121250527.db2.gz BURTXPXHEDGLLA-QWHCGFSZSA-N 0 1 297.468 3.862 20 0 CHADMN CCOc1ncccc1CN[C@@H](CC)c1ccccc1 ZINC000112522201 1121257364 /nfs/dbraw/zinc/25/73/64/1121257364.db2.gz BQBXRAFQQBWWPZ-INIZCTEOSA-N 0 1 270.376 3.721 20 0 CHADMN Fc1ccc(Cl)cc1Nc1ccnn1-c1ccncc1 ZINC001175298750 1121261019 /nfs/dbraw/zinc/26/10/19/1121261019.db2.gz MJIJBJDCSPPWSH-UHFFFAOYSA-N 0 1 288.713 3.803 20 0 CHADMN Brc1cccc(CNc2nccn2C2CC2)c1 ZINC000232459114 1121263172 /nfs/dbraw/zinc/26/31/72/1121263172.db2.gz LFNMRROOMJHBRW-UHFFFAOYSA-N 0 1 292.180 3.593 20 0 CHADMN CC(=O)c1sccc1OCc1ccc2nc(C)[nH]c2c1 ZINC000432676160 1121272543 /nfs/dbraw/zinc/27/25/43/1121272543.db2.gz NKWUIMINXYWLBS-UHFFFAOYSA-N 0 1 286.356 3.714 20 0 CHADMN CC(C)c1nc(C2(NCC3CCCC3)CCCC2)no1 ZINC000174241320 1121276490 /nfs/dbraw/zinc/27/64/90/1121276490.db2.gz QJXYYDYUQXIOCC-UHFFFAOYSA-N 0 1 277.412 3.742 20 0 CHADMN c1cc2c(o1)CCC[C@H]2N[C@H]1CCCc2occc21 ZINC000123919344 1121279975 /nfs/dbraw/zinc/27/99/75/1121279975.db2.gz FFQZXRDXQJGGQD-OKILXGFUSA-N 0 1 257.333 3.917 20 0 CHADMN C[C@@H]1C[C@]1(NCc1ccccn1)c1ccc(Cl)cc1 ZINC000500461382 1121280620 /nfs/dbraw/zinc/28/06/20/1121280620.db2.gz JBPPHIHDVAYRKM-MLGOLLRUSA-N 0 1 272.779 3.760 20 0 CHADMN CCc1nnc(Nc2c(Cl)ccc(F)c2F)s1 ZINC001213942495 1121297267 /nfs/dbraw/zinc/29/72/67/1121297267.db2.gz ABAWGJOXNDHQIY-UHFFFAOYSA-N 0 1 275.711 3.776 20 0 CHADMN COc1ccc(CN2C[C@@H](C)[C@H]2c2ccccc2)cc1OC ZINC000093867530 1128976284 /nfs/dbraw/zinc/97/62/84/1128976284.db2.gz ZJAHJHCISQMVDF-KUHUBIRLSA-N 0 1 297.398 3.897 20 0 CHADMN COc1ccc(-c2nc(CN3CCCCCC3)co2)cc1 ZINC000042651828 1121312660 /nfs/dbraw/zinc/31/26/60/1121312660.db2.gz DSMMYDWDOFPGEY-UHFFFAOYSA-N 0 1 286.375 3.726 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cc(F)cc(F)c1 ZINC000097901343 1121332716 /nfs/dbraw/zinc/33/27/16/1121332716.db2.gz BIMGIWPDORFWBV-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN CC(C)c1ccc(CNCc2ccc(F)cn2)cc1 ZINC000675644655 1121334097 /nfs/dbraw/zinc/33/40/97/1121334097.db2.gz AUAZDZOFUVCEGS-UHFFFAOYSA-N 0 1 258.340 3.634 20 0 CHADMN COc1ccc2c(c1F)CC[C@@H]2NCc1ccoc1C ZINC000675691980 1121344110 /nfs/dbraw/zinc/34/41/10/1121344110.db2.gz MIIYEXQFEAYZQC-AWEZNQCLSA-N 0 1 275.323 3.513 20 0 CHADMN Cn1ccc([C@@H]2CCCN(Cc3sccc3Cl)C2)n1 ZINC000932137532 1121346561 /nfs/dbraw/zinc/34/65/61/1121346561.db2.gz XHAPNJCICXOLJI-LLVKDONJSA-N 0 1 295.839 3.515 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1Cc1nnc(C(C)(C)C)[nH]1 ZINC000432785158 1121348130 /nfs/dbraw/zinc/34/81/30/1121348130.db2.gz RWHIDHMGHZLQBS-CHWSQXEVSA-N 0 1 278.444 3.503 20 0 CHADMN COc1cc(C)cc(Nc2cc(C)nn2-c2ccncc2)c1 ZINC001211725037 1121353238 /nfs/dbraw/zinc/35/32/38/1121353238.db2.gz ZYVXGPJWYTXJEJ-UHFFFAOYSA-N 0 1 294.358 3.636 20 0 CHADMN Cc1occc1CN[C@@H]1CSCCc2ccccc21 ZINC000675779295 1121355834 /nfs/dbraw/zinc/35/58/34/1121355834.db2.gz JQCCCVADLLWXFO-MRXNPFEDSA-N 0 1 273.401 3.708 20 0 CHADMN Cc1cc(N[C@@H]2CCC(F)(F)C2)c2cc(F)ccc2n1 ZINC000675794788 1121359216 /nfs/dbraw/zinc/35/92/16/1121359216.db2.gz XIESCANHODBFQZ-LLVKDONJSA-N 0 1 280.293 3.704 20 0 CHADMN CN(CCN1CC[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000674753519 1121361287 /nfs/dbraw/zinc/36/12/87/1121361287.db2.gz UYZCKPJVDRBMQD-GOSISDBHSA-N 0 1 284.378 3.709 20 0 CHADMN Cc1cn(-c2cc3cn[nH]c3c(C)c2)c2cccc(N)c12 ZINC001175521478 1121361300 /nfs/dbraw/zinc/36/13/00/1121361300.db2.gz PUWAVUPGLABZFR-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN Cc1cn(-c2cc3cn[nH]c3c(C)c2)c2cc(N)ccc12 ZINC001175521495 1121361372 /nfs/dbraw/zinc/36/13/72/1121361372.db2.gz QYSBDVKOQJQZAE-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN CCn1cc([C@H](C)N[C@H]2CSCc3ccccc32)cn1 ZINC000675782157 1121361827 /nfs/dbraw/zinc/36/18/27/1121361827.db2.gz CBYZAJVZSOJFMG-LRDDRELGSA-N 0 1 287.432 3.542 20 0 CHADMN CC(C)c1cc(CNCc2cccc3cc[nH]c32)on1 ZINC000236695159 1121363047 /nfs/dbraw/zinc/36/30/47/1121363047.db2.gz WGHFIRFAXWBZKV-UHFFFAOYSA-N 0 1 269.348 3.569 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1c[nH]c2cc(=O)ccc-2c1 ZINC001175523737 1121363920 /nfs/dbraw/zinc/36/39/20/1121363920.db2.gz LPQPIPIAJXKIEQ-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(C(F)(F)F)no1 ZINC001175524256 1121364108 /nfs/dbraw/zinc/36/41/08/1121364108.db2.gz AJPLCXIUEIFNBS-UHFFFAOYSA-N 0 1 282.225 3.622 20 0 CHADMN CCn1cc2cc(Nc3c4cn[nH]c4ccc3C)ccc2n1 ZINC001175525436 1121364400 /nfs/dbraw/zinc/36/44/00/1121364400.db2.gz BYSJPIVLQPPACC-UHFFFAOYSA-N 0 1 291.358 3.985 20 0 CHADMN CC(=O)c1ccc(Nc2c3cn[nH]c3ccc2C)c(F)c1 ZINC001175525824 1121364739 /nfs/dbraw/zinc/36/47/39/1121364739.db2.gz HCPRVFZGXVUBIA-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN COc1ccc(Nc2c3cn[nH]c3ccc2C)cc1OC ZINC001175525874 1121364872 /nfs/dbraw/zinc/36/48/72/1121364872.db2.gz IYGIKIZAQBDBGU-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@@H](C)c1ccccc1C ZINC000675808684 1121365166 /nfs/dbraw/zinc/36/51/66/1121365166.db2.gz QQAIIJMTAOOVRN-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(O)c(C)c1C ZINC001175525425 1121365305 /nfs/dbraw/zinc/36/53/05/1121365305.db2.gz BJVDPEMIRKYHAC-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN Cc1c2ccc(Nc3c4cn[nH]c4ccc3C)cc2nn1C ZINC001175526874 1121367276 /nfs/dbraw/zinc/36/72/76/1121367276.db2.gz YLVFVXBLVHIUCO-UHFFFAOYSA-N 0 1 291.358 3.810 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2cn(C)nc21 ZINC001175526363 1121367485 /nfs/dbraw/zinc/36/74/85/1121367485.db2.gz MUJFQBAAJHAHHO-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN COc1ccc(Nc2c3cn[nH]c3ccc2C)c(OC)c1 ZINC001175526714 1121368487 /nfs/dbraw/zinc/36/84/87/1121368487.db2.gz PZSZSKGPGYKJRK-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2cnn(C)c21 ZINC001175526781 1121369454 /nfs/dbraw/zinc/36/94/54/1121369454.db2.gz SZMDINNYUDFHBU-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(F)c(C)cc1N ZINC001175526694 1121369534 /nfs/dbraw/zinc/36/95/34/1121369534.db2.gz PGGOIYUFWMMLHL-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN C[C@@H](CF)NCc1cccc(OCc2ccccc2F)c1 ZINC000644891933 1121371455 /nfs/dbraw/zinc/37/14/55/1121371455.db2.gz HLHZWEGRFOMANO-ZDUSSCGKSA-N 0 1 291.341 3.852 20 0 CHADMN CC[C@@H](NCc1cc(C)n[nH]1)c1cc(Cl)ccc1OC ZINC000675891928 1121375837 /nfs/dbraw/zinc/37/58/37/1121375837.db2.gz GHLKZTMFQVPSCX-CQSZACIVSA-N 0 1 293.798 3.621 20 0 CHADMN CCc1cccc(Nc2cc(C)nn2-c2ccncc2)c1 ZINC001175553900 1121383887 /nfs/dbraw/zinc/38/38/87/1121383887.db2.gz BZTUXWSGAKUXAH-UHFFFAOYSA-N 0 1 278.359 3.882 20 0 CHADMN C[C@@H]1C[C@H](Nc2cnn(-c3ccncc3)c2)c2ccccc21 ZINC000675905703 1121386212 /nfs/dbraw/zinc/38/62/12/1121386212.db2.gz DASJEHUBZJHDGN-ACJLOTCBSA-N 0 1 290.370 3.928 20 0 CHADMN C[C@@H]1C[C@@H](Nc2cnn(-c3ccncc3)c2)c2ccccc21 ZINC000675905704 1121386337 /nfs/dbraw/zinc/38/63/37/1121386337.db2.gz DASJEHUBZJHDGN-FZKQIMNGSA-N 0 1 290.370 3.928 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)C[N@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429587958 1121390508 /nfs/dbraw/zinc/39/05/08/1121390508.db2.gz FWMYUPFDEHQGFI-GXTWGEPZSA-N 0 1 284.403 3.779 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN(C)[C@@H]1CC[C@H](C)C1 ZINC000429587958 1121390516 /nfs/dbraw/zinc/39/05/16/1121390516.db2.gz FWMYUPFDEHQGFI-GXTWGEPZSA-N 0 1 284.403 3.779 20 0 CHADMN COc1ccc(Br)c(CN2CCCCCC2)c1 ZINC000087797767 1121392409 /nfs/dbraw/zinc/39/24/09/1121392409.db2.gz FBZDUWQIFMRQTR-UHFFFAOYSA-N 0 1 298.224 3.834 20 0 CHADMN COc1c(Cl)cc(Cl)cc1NC1=CCCN(C)C1 ZINC001175579424 1121396598 /nfs/dbraw/zinc/39/65/98/1121396598.db2.gz VZADHSKINBBYJK-UHFFFAOYSA-N 0 1 287.190 3.633 20 0 CHADMN Cc1cc(Cl)cc(C)c1NC1=CCCN(C)C1 ZINC001175578186 1121397560 /nfs/dbraw/zinc/39/75/60/1121397560.db2.gz INDQGEPMHBBUAQ-UHFFFAOYSA-N 0 1 250.773 3.588 20 0 CHADMN CN1CCC=C(Nc2cc(Cl)cc(Cl)c2)C1 ZINC001175580805 1121399658 /nfs/dbraw/zinc/39/96/58/1121399658.db2.gz USQDEMKZBZYRRA-UHFFFAOYSA-N 0 1 257.164 3.625 20 0 CHADMN CC(C)[C@H](O)CNC1(c2c(Cl)cccc2Cl)CC1 ZINC000432842463 1121404143 /nfs/dbraw/zinc/40/41/43/1121404143.db2.gz ZAISYVGVXSOAQV-GFCCVEGCSA-N 0 1 288.218 3.589 20 0 CHADMN c1cc2c(s1)CC[C@H]2Nc1ccc2c(n1)CCC2 ZINC001162765931 1121405635 /nfs/dbraw/zinc/40/56/35/1121405635.db2.gz GRSCUPGDQVWRMJ-CYBMUJFWSA-N 0 1 256.374 3.731 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cncc(OC)c1 ZINC000676154392 1121409852 /nfs/dbraw/zinc/40/98/52/1121409852.db2.gz SPFOHSQMQCGVLB-SFHVURJKSA-N 0 1 282.387 3.600 20 0 CHADMN COc1cc(Nc2ccc3n[nH]c(C)c3c2)ccc1F ZINC001175699300 1121416737 /nfs/dbraw/zinc/41/67/37/1121416737.db2.gz LXHBNHURABSWOR-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(C4OCCO4)cc3)cc21 ZINC001175700647 1121418284 /nfs/dbraw/zinc/41/82/84/1121418284.db2.gz QMNYNIUEENGTOJ-UHFFFAOYSA-N 0 1 295.342 3.660 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(Cl)c(CO)c3)cc12 ZINC001175701813 1121419662 /nfs/dbraw/zinc/41/96/62/1121419662.db2.gz HKXRANYZTYBFAV-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(CO)ccc3Cl)cc12 ZINC001175702243 1121420559 /nfs/dbraw/zinc/42/05/59/1121420559.db2.gz PZVLQCQGNXEZNL-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1[nH]nc2cc(Nc3nsc4ncccc34)ccc21 ZINC001175657031 1121422024 /nfs/dbraw/zinc/42/20/24/1121422024.db2.gz NPHZMHYACIGGMY-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN c1ccc2c(c1)n[nH]c2CNc1cccc2cnccc21 ZINC000676315621 1121422425 /nfs/dbraw/zinc/42/24/25/1121422425.db2.gz IGBKPUZTKLWYBZ-UHFFFAOYSA-N 0 1 274.327 3.723 20 0 CHADMN c1nc2ccc(CNc3cccc4cnccc43)cc2[nH]1 ZINC000676315720 1121423073 /nfs/dbraw/zinc/42/30/73/1121423073.db2.gz NJFCIIYJSIOEMJ-UHFFFAOYSA-N 0 1 274.327 3.723 20 0 CHADMN Cc1[nH]nc2cc(Nc3c[nH]c4cc(=O)ccc-4c3)ccc12 ZINC001175659464 1121423285 /nfs/dbraw/zinc/42/32/85/1121423285.db2.gz BTGSGBMTVCFGAY-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(CC(C)C)no3)ccc12 ZINC001175659285 1121423601 /nfs/dbraw/zinc/42/36/01/1121423601.db2.gz KGGCLBQOHGIKIY-UHFFFAOYSA-N 0 1 270.336 3.801 20 0 CHADMN CCc1ccc(C)nc1Nc1ccc2c(c1)n[nH]c2C ZINC001175658254 1121423655 /nfs/dbraw/zinc/42/36/55/1121423655.db2.gz VFYPWIYHEFTPAO-UHFFFAOYSA-N 0 1 266.348 3.881 20 0 CHADMN CO[C@H](C)c1cccc(NCc2[nH]nc3ccccc32)c1 ZINC000676322688 1121424037 /nfs/dbraw/zinc/42/40/37/1121424037.db2.gz LTSXNLPJOYICFH-GFCCVEGCSA-N 0 1 281.359 3.882 20 0 CHADMN CCOc1ccc(OC)cc1NCc1[nH]nc2ccccc21 ZINC000676322744 1121424223 /nfs/dbraw/zinc/42/42/23/1121424223.db2.gz OXFHMJSVOFNOAZ-UHFFFAOYSA-N 0 1 297.358 3.582 20 0 CHADMN Cc1n[nH]c2cc(Nc3c(C)nc4ccc(F)cn43)ccc12 ZINC001175661584 1121424355 /nfs/dbraw/zinc/42/43/55/1121424355.db2.gz NTSDMYSQEQELLQ-UHFFFAOYSA-N 0 1 295.321 3.710 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc2c(C)[nH]nc2c1 ZINC001175661584 1121424361 /nfs/dbraw/zinc/42/43/61/1121424361.db2.gz NTSDMYSQEQELLQ-UHFFFAOYSA-N 0 1 295.321 3.710 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccnc(Cl)c3)ccc12 ZINC001175659964 1121424527 /nfs/dbraw/zinc/42/45/27/1121424527.db2.gz RRILLZJTAKXBFL-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1[nH]nc2cc(Nc3cnc4cccc(O)c4c3)ccc12 ZINC001175659963 1121424712 /nfs/dbraw/zinc/42/47/12/1121424712.db2.gz KSVVOJWGKNGCBV-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(F)cc3F)ccc12 ZINC001175661434 1121425006 /nfs/dbraw/zinc/42/50/06/1121425006.db2.gz LTKGJGWDPDGJMI-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN CC(=O)c1ccc(Nc2ccc3c(C)[nH]nc3c2)cc1 ZINC001175661621 1121425631 /nfs/dbraw/zinc/42/56/31/1121425631.db2.gz PCBKMSHJSZBDNF-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(C)cc3O)ccc12 ZINC001175661627 1121426178 /nfs/dbraw/zinc/42/61/78/1121426178.db2.gz PFSURAYHKMDCRX-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1[nH]nc2cc(Nc3c(C)cccc3O)ccc12 ZINC001175662341 1121426208 /nfs/dbraw/zinc/42/62/08/1121426208.db2.gz HRSHGRWVVIDSCC-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN CCc1nccc(C)c1Nc1ccc2c(c1)n[nH]c2C ZINC001175661863 1121426211 /nfs/dbraw/zinc/42/62/11/1121426211.db2.gz VOUUVLCIVIQZQS-UHFFFAOYSA-N 0 1 266.348 3.881 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc(O)c3Cl)ccc12 ZINC001175662752 1121427312 /nfs/dbraw/zinc/42/73/12/1121427312.db2.gz BZFCQQDWGSWSAK-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN COC(=O)c1cccc(Nc2ccc3c(C)[nH]nc3c2)c1F ZINC001175662774 1121427344 /nfs/dbraw/zinc/42/73/44/1121427344.db2.gz CPPPJFWGFBDESM-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4c3CCO4)ccc21 ZINC001175663113 1121427544 /nfs/dbraw/zinc/42/75/44/1121427544.db2.gz UKYOBRLPQFEVJE-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4[nH]c(=O)ccc34)ccc12 ZINC001175663245 1121427671 /nfs/dbraw/zinc/42/76/71/1121427671.db2.gz VZXQTAAGYVCCIO-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(O)cc(Cl)c3)ccc12 ZINC001175662861 1121427941 /nfs/dbraw/zinc/42/79/41/1121427941.db2.gz HASUOKUFFGTWGN-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H](C)c3ccco3)c2C)o1 ZINC000676397874 1121431127 /nfs/dbraw/zinc/43/11/27/1121431127.db2.gz VIZLIFNGFDXEST-SNVBAGLBSA-N 0 1 299.330 3.622 20 0 CHADMN COc1ccccc1/C=C/CN(C)Cc1cccc(O)c1 ZINC000676414733 1121432124 /nfs/dbraw/zinc/43/21/24/1121432124.db2.gz XJYRMBFSXUOCPY-RMKNXTFCSA-N 0 1 283.371 3.546 20 0 CHADMN CC(C)N(Cc1nn(C)c2ccccc12)Cc1ccccc1 ZINC000676413001 1121432441 /nfs/dbraw/zinc/43/24/41/1121432441.db2.gz KVQGCLUTECOACJ-UHFFFAOYSA-N 0 1 293.414 3.984 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4c(c3)[C@@H](O)CC4)cc12 ZINC001175703220 1121432465 /nfs/dbraw/zinc/43/24/65/1121432465.db2.gz YRUTYOSTICWZON-KRWDZBQOSA-N 0 1 279.343 3.595 20 0 CHADMN Clc1cscc1CNCc1ccc2c(c1)COC2 ZINC000676419410 1121433429 /nfs/dbraw/zinc/43/34/29/1121433429.db2.gz AASHDWWLJFCGFV-UHFFFAOYSA-N 0 1 279.792 3.722 20 0 CHADMN CCOc1ccc(CNCc2cccc(CSC)c2)o1 ZINC000893889048 1121437400 /nfs/dbraw/zinc/43/74/00/1121437400.db2.gz SNHXPEGTKGVXAQ-UHFFFAOYSA-N 0 1 291.416 3.831 20 0 CHADMN CO[C@@H](CN[C@H](C)c1nc(C)sc1C)c1ccccc1 ZINC000676488824 1121437563 /nfs/dbraw/zinc/43/75/63/1121437563.db2.gz HDVJXQCIOCGLNT-ABAIWWIYSA-N 0 1 290.432 3.798 20 0 CHADMN Cc1nc([C@H](C)NCCc2c(F)cccc2F)c(C)s1 ZINC000676490390 1121439258 /nfs/dbraw/zinc/43/92/58/1121439258.db2.gz OOKRHOKIQSUTNG-VIFPVBQESA-N 0 1 296.386 3.931 20 0 CHADMN Cc1noc2ncc(CN(Cc3cccs3)C3CC3)cc12 ZINC000893929380 1121441376 /nfs/dbraw/zinc/44/13/76/1121441376.db2.gz PTVLKFCKZKPWSX-UHFFFAOYSA-N 0 1 299.399 3.757 20 0 CHADMN Cc1n[nH]c(CN(Cc2ccc(F)cc2)C(C)C)c1C ZINC000893943678 1121442763 /nfs/dbraw/zinc/44/27/63/1121442763.db2.gz CECKMXWFVWTPRL-UHFFFAOYSA-N 0 1 275.371 3.576 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1[nH]nc(C)c1C ZINC000893945641 1121444792 /nfs/dbraw/zinc/44/47/92/1121444792.db2.gz FIVKUAUFHWGHBE-SFHVURJKSA-N 0 1 299.418 3.545 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1ccc2oc(=O)oc2c1 ZINC000893945984 1121444939 /nfs/dbraw/zinc/44/49/39/1121444939.db2.gz JTJHIKMYPJHTQT-SNVBAGLBSA-N 0 1 289.356 3.641 20 0 CHADMN CC(C)c1c[nH]c(CN2CC[C@H](c3ccccc3)C2)n1 ZINC000893946546 1121445023 /nfs/dbraw/zinc/44/50/23/1121445023.db2.gz CWRHMRYXJZLEPC-HNNXBMFYSA-N 0 1 269.392 3.523 20 0 CHADMN Cc1cc([C@@H]2CCCN2C/C=C/c2cccc(F)c2)on1 ZINC000893994901 1121449301 /nfs/dbraw/zinc/44/93/01/1121449301.db2.gz MBKQWJFKBCOHMT-GIZXNFQBSA-N 0 1 286.350 3.972 20 0 CHADMN Cc1ncoc1CN1CCC(OCC2CCCCC2)CC1 ZINC000893979565 1121449817 /nfs/dbraw/zinc/44/98/17/1121449817.db2.gz CYSZDLODPHELKL-UHFFFAOYSA-N 0 1 292.423 3.544 20 0 CHADMN CC(C)(C)OCCCCSc1nc(C(C)(C)C)n[nH]1 ZINC000473399768 1121451323 /nfs/dbraw/zinc/45/13/23/1121451323.db2.gz AEVBHEOBIOILPT-UHFFFAOYSA-N 0 1 285.457 3.790 20 0 CHADMN CC(C)(C)OCCCCSc1n[nH]c(C(C)(C)C)n1 ZINC000473399768 1121451327 /nfs/dbraw/zinc/45/13/27/1121451327.db2.gz AEVBHEOBIOILPT-UHFFFAOYSA-N 0 1 285.457 3.790 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1ccc2oc(=O)oc2c1 ZINC000894005805 1121453743 /nfs/dbraw/zinc/45/37/43/1121453743.db2.gz LERXHAUEQJOMFE-GFCCVEGCSA-N 0 1 295.338 3.505 20 0 CHADMN COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1[nH]nc(C)c1C ZINC000894004310 1121454186 /nfs/dbraw/zinc/45/41/86/1121454186.db2.gz MTBRJDHGJUWVRD-KRWDZBQOSA-N 0 1 299.418 3.762 20 0 CHADMN COc1ccccc1[C@@H]1CCCCN1Cc1[nH]nc(C)c1C ZINC000894004310 1121454188 /nfs/dbraw/zinc/45/41/88/1121454188.db2.gz MTBRJDHGJUWVRD-KRWDZBQOSA-N 0 1 299.418 3.762 20 0 CHADMN COc1ccccc1[C@@H]1CCCCN1Cc1n[nH]c(C)c1C ZINC000894004310 1121454191 /nfs/dbraw/zinc/45/41/91/1121454191.db2.gz MTBRJDHGJUWVRD-KRWDZBQOSA-N 0 1 299.418 3.762 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)Nc2cscc2C)o1 ZINC000676663890 1121454449 /nfs/dbraw/zinc/45/44/49/1121454449.db2.gz BQRPXIUKLZDGLW-UHFFFAOYSA-N 0 1 292.404 3.744 20 0 CHADMN C[C@@H]1CN(Cc2cc(C(F)(F)F)co2)C(C)(C)C1 ZINC001175758566 1121455025 /nfs/dbraw/zinc/45/50/25/1121455025.db2.gz QBAYMYPPAVISSL-VIFPVBQESA-N 0 1 261.287 3.919 20 0 CHADMN COc1cccc(CNC(C)(C)c2ccccc2)c1F ZINC000312400326 1121455280 /nfs/dbraw/zinc/45/52/80/1121455280.db2.gz LYUZYGXXSIQJLR-UHFFFAOYSA-N 0 1 273.351 3.859 20 0 CHADMN Cc1coc(CN(C)[C@@H]2CCCc3nc(C)sc32)c1 ZINC000894021799 1121455394 /nfs/dbraw/zinc/45/53/94/1121455394.db2.gz WFGGQXNYHQIAPK-CQSZACIVSA-N 0 1 276.405 3.862 20 0 CHADMN Fc1ccc(C[C@H]2CCCCN2Cc2nccs2)cc1 ZINC000676715402 1121458623 /nfs/dbraw/zinc/45/86/23/1121458623.db2.gz VZUJUBKASORILW-OAHLLOKOSA-N 0 1 290.407 3.879 20 0 CHADMN COCc1cccc(CN(C)Cc2ccsc2)c1 ZINC000676714251 1121459015 /nfs/dbraw/zinc/45/90/15/1121459015.db2.gz GUBVGLQXYMQJBE-UHFFFAOYSA-N 0 1 261.390 3.527 20 0 CHADMN CCc1nc(C)c([C@@H](C)N(C)Cc2n[nH]c(C)c2C)s1 ZINC000894048910 1121459999 /nfs/dbraw/zinc/45/99/99/1121459999.db2.gz DMDOSIVVVOYXIN-GFCCVEGCSA-N 0 1 292.452 3.547 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2ocnc2C)o1 ZINC000894086222 1121466461 /nfs/dbraw/zinc/46/64/61/1121466461.db2.gz ZLJWMADMXZPONH-BXUZGUMPSA-N 0 1 274.364 3.858 20 0 CHADMN CC(C)(NCc1ccc(=O)[nH]c1)c1cccc(Cl)c1F ZINC000631114448 1128986242 /nfs/dbraw/zinc/98/62/42/1128986242.db2.gz VRDUVZOLYMLPLL-UHFFFAOYSA-N 0 1 294.757 3.605 20 0 CHADMN COc1ccc2nc(-c3nc4ccc(F)cc4[nH]3)sc2c1 ZINC000473453686 1121468188 /nfs/dbraw/zinc/46/81/88/1121468188.db2.gz LFVDONWQUVKAJB-UHFFFAOYSA-N 0 1 299.330 3.987 20 0 CHADMN C[C@@H](C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1)CC(C)(C)C ZINC000709289635 1121470933 /nfs/dbraw/zinc/47/09/33/1121470933.db2.gz UAYDXZOVXHKRQL-GFCCVEGCSA-N 0 1 275.392 3.773 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)C(C)(C)C)c1cn(C)cn1 ZINC000709928255 1121471838 /nfs/dbraw/zinc/47/18/38/1121471838.db2.gz MYARCJGZIMDONA-CZUORRHYSA-N 0 1 271.408 3.858 20 0 CHADMN CC[C@@H](N[C@H](C)c1cn(C)cn1)c1ccc(Cl)cc1 ZINC000710007279 1121473041 /nfs/dbraw/zinc/47/30/41/1121473041.db2.gz PBVOKQJAOQLQJU-BXUZGUMPSA-N 0 1 277.799 3.875 20 0 CHADMN CC[C@H](N[C@H](C)c1cn(C)cn1)c1cccc(Cl)c1 ZINC000710005200 1121473196 /nfs/dbraw/zinc/47/31/96/1121473196.db2.gz GAUAGYMWYXZVOE-RISCZKNCSA-N 0 1 277.799 3.875 20 0 CHADMN Cc1cccc(NC[C@H]2CCCN(c3ccccc3)C2)n1 ZINC000432929675 1121484957 /nfs/dbraw/zinc/48/49/57/1121484957.db2.gz RZSFJTMZYJVTKN-MRXNPFEDSA-N 0 1 281.403 3.719 20 0 CHADMN O=C(Nc1nc2ccc(F)cc2[nH]1)[C@H]1CCCC2(CC2)C1 ZINC000614131874 1121486108 /nfs/dbraw/zinc/48/61/08/1121486108.db2.gz FIVBFNRMPFEBIX-JTQLQIEISA-N 0 1 287.338 3.611 20 0 CHADMN CCc1onc(C)c1CNCc1cccc(OC(C)C)c1 ZINC000922988527 1121505304 /nfs/dbraw/zinc/50/53/04/1121505304.db2.gz PROTUKDFLZLXBX-UHFFFAOYSA-N 0 1 288.391 3.622 20 0 CHADMN COC(=O)c1cccc(Cl)c1CN(C)C1CCCC1 ZINC000509277581 1121506452 /nfs/dbraw/zinc/50/64/52/1121506452.db2.gz VHZNRUSRJSWBQL-UHFFFAOYSA-N 0 1 281.783 3.501 20 0 CHADMN CC[C@@H](NCc1cncc(OC)c1C)c1ccccc1F ZINC000631169019 1128988729 /nfs/dbraw/zinc/98/87/29/1128988729.db2.gz NVFBIXVDTWFGTG-MRXNPFEDSA-N 0 1 288.366 3.779 20 0 CHADMN O=C1C[C@@]2(CCCN([C@@H]3C=CCCC3)C2)Oc2ccccc21 ZINC000625800943 1121508389 /nfs/dbraw/zinc/50/83/89/1121508389.db2.gz MWXZDVBCLLAIQZ-DNVCBOLYSA-N 0 1 297.398 3.595 20 0 CHADMN COC(=O)[C@H](c1ccccc1C)N(C)C[C@@H](C)C(C)(C)C ZINC001175982473 1121511939 /nfs/dbraw/zinc/51/19/39/1121511939.db2.gz GNTWQUXEIFMBFK-ZBFHGGJFSA-N 0 1 291.435 3.823 20 0 CHADMN Cc1cc(C)c(/C=C/CN[C@@H](C)c2nccn2C)cc1C ZINC000631177663 1128989281 /nfs/dbraw/zinc/98/92/81/1128989281.db2.gz QBLSSKXPTIVJBH-MOEXGYKKSA-N 0 1 283.419 3.709 20 0 CHADMN O=C1[C@H]2CCCCCC2=NN1c1cccc2ncccc21 ZINC000614186795 1121515264 /nfs/dbraw/zinc/51/52/64/1121515264.db2.gz JBSYXRJLKVYDOE-ZDUSSCGKSA-N 0 1 279.343 3.518 20 0 CHADMN O=c1c2c([nH]n1-c1cccc3ncccc31)CCCCC2 ZINC000614186795 1121515273 /nfs/dbraw/zinc/51/52/73/1121515273.db2.gz JBSYXRJLKVYDOE-ZDUSSCGKSA-N 0 1 279.343 3.518 20 0 CHADMN Cc1ccc2nc(Nc3ccc4n[nH]nc4c3)sc2c1 ZINC001175995624 1121515742 /nfs/dbraw/zinc/51/57/42/1121515742.db2.gz FZBZEUOCNUSACO-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1ccc2nc(Nc3ccc4nn[nH]c4c3)sc2c1 ZINC001175995624 1121515747 /nfs/dbraw/zinc/51/57/47/1121515747.db2.gz FZBZEUOCNUSACO-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Oc1ccc2ccccc2c1Nc1ccc2nn[nH]c2c1 ZINC001176002365 1121519314 /nfs/dbraw/zinc/51/93/14/1121519314.db2.gz LSSQMRVJJDPODJ-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN Oc1ccc2ccccc2c1Nc1ccc2n[nH]nc2c1 ZINC001176002365 1121519323 /nfs/dbraw/zinc/51/93/23/1121519323.db2.gz LSSQMRVJJDPODJ-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN Cc1ccc([C@@H](NCc2c(C)nn(C)c2C)C2CCC2)o1 ZINC000544567779 1121520081 /nfs/dbraw/zinc/52/00/81/1121520081.db2.gz XEERGDCDZDLUPW-KRWDZBQOSA-N 0 1 287.407 3.569 20 0 CHADMN FC(F)c1cccc(Nc2ccc3nn[nH]c3c2)c1 ZINC001176005506 1121520793 /nfs/dbraw/zinc/52/07/93/1121520793.db2.gz GFLJJAFWYCGWHX-UHFFFAOYSA-N 0 1 260.247 3.639 20 0 CHADMN FC(F)c1cccc(Nc2ccc3n[nH]nc3c2)c1 ZINC001176005506 1121520797 /nfs/dbraw/zinc/52/07/97/1121520797.db2.gz GFLJJAFWYCGWHX-UHFFFAOYSA-N 0 1 260.247 3.639 20 0 CHADMN Fc1cc(Nc2ccc3nn[nH]c3c2)cc(C(F)(F)F)c1 ZINC001176006227 1121521792 /nfs/dbraw/zinc/52/17/92/1121521792.db2.gz XXDJUNKKOLSHKZ-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Fc1cc(Nc2ccc3n[nH]nc3c2)cc(C(F)(F)F)c1 ZINC001176006227 1121521795 /nfs/dbraw/zinc/52/17/95/1121521795.db2.gz XXDJUNKKOLSHKZ-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN FC(F)(F)Oc1ccccc1Nc1ccc2nn[nH]c2c1 ZINC001176005527 1121522026 /nfs/dbraw/zinc/52/20/26/1121522026.db2.gz GXTPWCCBGAWYKA-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN FC(F)(F)Oc1ccccc1Nc1ccc2n[nH]nc2c1 ZINC001176005527 1121522031 /nfs/dbraw/zinc/52/20/31/1121522031.db2.gz GXTPWCCBGAWYKA-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN C[C@@H]1CC2(CCC2)C[N@H+]1Cc1c(F)cccc1F ZINC000433024978 1121524234 /nfs/dbraw/zinc/52/42/34/1121524234.db2.gz GGEFUQHBEKTCMV-LLVKDONJSA-N 0 1 251.320 3.729 20 0 CHADMN C[C@@H]1CC2(CCC2)CN1Cc1c(F)cccc1F ZINC000433024978 1121524239 /nfs/dbraw/zinc/52/42/39/1121524239.db2.gz GGEFUQHBEKTCMV-LLVKDONJSA-N 0 1 251.320 3.729 20 0 CHADMN CC(C)(C)OC[C@H]1CCCN1Cc1cc(O)ccc1Cl ZINC001176012146 1121524771 /nfs/dbraw/zinc/52/47/71/1121524771.db2.gz WYKWXIHUAKDVKW-CYBMUJFWSA-N 0 1 297.826 3.825 20 0 CHADMN C[C@@H]1CC2(CCC2)CN1Cc1cncc(Br)c1 ZINC000433027754 1121525007 /nfs/dbraw/zinc/52/50/07/1121525007.db2.gz WSSROEHPZOTCJV-LLVKDONJSA-N 0 1 295.224 3.609 20 0 CHADMN Cc1cccc(OCCN[C@H](C)c2cccnc2Cl)c1 ZINC000178706660 1121525064 /nfs/dbraw/zinc/52/50/64/1121525064.db2.gz QBBSTROKRLWCJE-CYBMUJFWSA-N 0 1 290.794 3.773 20 0 CHADMN CC(C)C[C@@H]1CCCCN1CC(=O)Nc1ccccc1F ZINC000466664140 1121525111 /nfs/dbraw/zinc/52/51/11/1121525111.db2.gz JRWAUCNSLCMGQV-AWEZNQCLSA-N 0 1 292.398 3.665 20 0 CHADMN CC[C@@](C)(NCc1cccc(OC)n1)c1ccc(F)cc1 ZINC000631195429 1128991331 /nfs/dbraw/zinc/99/13/31/1128991331.db2.gz XNEJPVZUVXEVGY-QGZVFWFLSA-N 0 1 288.366 3.644 20 0 CHADMN CC[C@@](C)(NCc1ccccn1)c1ccc(F)cc1 ZINC000631194758 1128991470 /nfs/dbraw/zinc/99/14/70/1128991470.db2.gz PHFVCGCYDSDALJ-MRXNPFEDSA-N 0 1 258.340 3.636 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1nc(-c2ccccc2Cl)no1 ZINC000466674478 1121530520 /nfs/dbraw/zinc/53/05/20/1121530520.db2.gz XXAIXUKCSQCWCX-PHIMTYICSA-N 0 1 291.782 3.763 20 0 CHADMN CC[C@](C)(NCc1cnc(C2CC2)nc1)c1ccc(F)cc1 ZINC000631194754 1128991527 /nfs/dbraw/zinc/99/15/27/1128991527.db2.gz PGTDIYRUGOWWHN-SFHVURJKSA-N 0 1 299.393 3.908 20 0 CHADMN COc1ccsc1CNCc1csc(C)c1C ZINC000631206790 1128992305 /nfs/dbraw/zinc/99/23/05/1128992305.db2.gz NEQFDMKGGGERTM-UHFFFAOYSA-N 0 1 267.419 3.725 20 0 CHADMN CCCc1csc(CN(C)[C@@H]2CC[C@@H](C)C2)n1 ZINC000433059673 1121541383 /nfs/dbraw/zinc/54/13/83/1121541383.db2.gz USINZPFMJSXMMF-DGCLKSJQSA-N 0 1 252.427 3.716 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H]1CC2CCC1CC2 ZINC000923230446 1121543570 /nfs/dbraw/zinc/54/35/70/1121543570.db2.gz KBFHETQSOCIJAS-HJCMROQASA-N 0 1 291.435 3.530 20 0 CHADMN c1ccc(CSCCN2CCOC3(CCCC3)C2)cc1 ZINC000429845689 1121546477 /nfs/dbraw/zinc/54/64/77/1121546477.db2.gz BPRIOHMRPMUJNB-UHFFFAOYSA-N 0 1 291.460 3.565 20 0 CHADMN CCc1noc([C@H](C)N2CCC[C@@H](c3ccccc3)C2)n1 ZINC000433066231 1121548286 /nfs/dbraw/zinc/54/82/86/1121548286.db2.gz IOFZGDCWQICFAN-DZGCQCFKSA-N 0 1 285.391 3.573 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2nnc(C)[nH]2)CC[C@@H]1c1ccccc1 ZINC000411297549 1121560365 /nfs/dbraw/zinc/56/03/65/1121560365.db2.gz IGXSLJBKTMDNBF-LXZKKBNFSA-N 0 1 298.434 3.690 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1cncc(Br)c1 ZINC000163220198 1121561646 /nfs/dbraw/zinc/56/16/46/1121561646.db2.gz QZXSQVJXYLTNPR-ZWNOBZJWSA-N 0 1 283.213 3.607 20 0 CHADMN Cc1noc(C)c1Nc1cc(-c2ccccc2)no1 ZINC001176177740 1121562680 /nfs/dbraw/zinc/56/26/80/1121562680.db2.gz XHRASZXVAFBIGA-UHFFFAOYSA-N 0 1 255.277 3.690 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000711630471 1121563124 /nfs/dbraw/zinc/56/31/24/1121563124.db2.gz QYWKVCMBHNAKNV-DIOULYMOSA-N 0 1 293.794 3.730 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCS[C@H](C(F)(F)F)C1 ZINC001176176687 1121563522 /nfs/dbraw/zinc/56/35/22/1121563522.db2.gz RYEOOGZLETXDGY-IUCAKERBSA-N 0 1 291.329 3.648 20 0 CHADMN CCOCCN(Cc1cccnc1)[C@@H]1CCc2ccccc21 ZINC000625976512 1121564515 /nfs/dbraw/zinc/56/45/15/1121564515.db2.gz HFDRCKAYKOYNTM-LJQANCHMSA-N 0 1 296.414 3.608 20 0 CHADMN COc1cc(CNCc2ccc(C)o2)ccc1SC ZINC000631243862 1128994169 /nfs/dbraw/zinc/99/41/69/1128994169.db2.gz RXYPIHNNOGNGHX-UHFFFAOYSA-N 0 1 277.389 3.608 20 0 CHADMN C[C@H](c1ccco1)N(CCOCC1CCC1)C1CC1 ZINC000419238280 1121570479 /nfs/dbraw/zinc/57/04/79/1121570479.db2.gz MQZWBLAXCYRLMA-CYBMUJFWSA-N 0 1 263.381 3.622 20 0 CHADMN Cc1ccc(CNCc2cccn2CCC(C)C)o1 ZINC000631243884 1128994356 /nfs/dbraw/zinc/99/43/56/1128994356.db2.gz STISJVZLNBFRHE-UHFFFAOYSA-N 0 1 260.381 3.725 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1CCC[C@](CC)(C(=O)[O-])C1 ZINC000923469506 1121576828 /nfs/dbraw/zinc/57/68/28/1121576828.db2.gz KPVBKRCELLOVBG-ZBFHGGJFSA-N 0 1 269.429 3.780 20 0 CHADMN Cc1ccc(NC(=O)CN2CCC3(CCC3)CC2)cc1C ZINC000671729464 1121584542 /nfs/dbraw/zinc/58/45/42/1121584542.db2.gz MUFOOHSDTYASTO-UHFFFAOYSA-N 0 1 286.419 3.508 20 0 CHADMN CC(C)[C@H](NC(=O)C=CC(C)(C)C)c1nc2ccccc2[nH]1 ZINC000074218527 1121585135 /nfs/dbraw/zinc/58/51/35/1121585135.db2.gz OKYMOIBFOZKWRZ-OFAQMXQXSA-N 0 1 299.418 3.979 20 0 CHADMN CCN(Cc1cnc(NC(=O)OC(C)(C)C)s1)C(C)C ZINC000282546979 1121588319 /nfs/dbraw/zinc/58/83/19/1121588319.db2.gz RMSDBGUEKRXYIK-UHFFFAOYSA-N 0 1 299.440 3.720 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccc3[nH]c(=O)oc3c2)o1 ZINC000631249467 1128995348 /nfs/dbraw/zinc/99/53/48/1128995348.db2.gz FSZUBTUDBYWDJH-SNVBAGLBSA-N 0 1 286.331 3.540 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000466740147 1121590289 /nfs/dbraw/zinc/59/02/89/1121590289.db2.gz XBNSICJRHHGEQJ-DOPJRALCSA-N 0 1 267.372 3.764 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccc(F)c(C)c2)nc1 ZINC000411475244 1121592547 /nfs/dbraw/zinc/59/25/47/1121592547.db2.gz NNMXMWFIBOZMIP-CYBMUJFWSA-N 0 1 272.367 3.942 20 0 CHADMN CCCCOc1cccc(F)c1Nc1ccncc1 ZINC001211792371 1121593846 /nfs/dbraw/zinc/59/38/46/1121593846.db2.gz ACGRJOVWSRDLMA-UHFFFAOYSA-N 0 1 260.312 3.565 20 0 CHADMN Cc1cc(Nc2ccnc(CO)c2)cc(C)c1Cl ZINC001176337526 1121600340 /nfs/dbraw/zinc/60/03/40/1121600340.db2.gz GPISMVHMRKUUKT-UHFFFAOYSA-N 0 1 262.740 3.588 20 0 CHADMN CC[C@@H](NCCOc1cccc(Cl)c1)c1nccs1 ZINC000411514982 1121600552 /nfs/dbraw/zinc/60/05/52/1121600552.db2.gz HCSZBFDOLFJGAO-CYBMUJFWSA-N 0 1 296.823 3.916 20 0 CHADMN CC(C)c1cc(CNCCSCc2ccccc2)on1 ZINC000619535505 1128996243 /nfs/dbraw/zinc/99/62/43/1128996243.db2.gz LBNRTMGZIGDHKY-UHFFFAOYSA-N 0 1 290.432 3.821 20 0 CHADMN CCC[C@@H](C)CCNC(=O)c1ccc(Cl)c(O)c1 ZINC001176312583 1121608028 /nfs/dbraw/zinc/60/80/28/1121608028.db2.gz MFZMDBBQIXNQPT-SNVBAGLBSA-N 0 1 269.772 3.602 20 0 CHADMN CCOC1CC2(C1)CCN([C@H](C)c1cc(F)ccc1F)C2 ZINC000512831679 1121615005 /nfs/dbraw/zinc/61/50/05/1121615005.db2.gz FBTIXYXEMPEZBD-RFSCMCKOSA-N 0 1 295.373 3.917 20 0 CHADMN COc1ccc([C@H](C)NCc2scnc2C2CC2)cc1 ZINC000486936555 1121615696 /nfs/dbraw/zinc/61/56/96/1121615696.db2.gz GAQCMZVDJRRJJR-NSHDSACASA-N 0 1 288.416 3.880 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1N[C@@H]1CCO[C@H]1C ZINC000512874689 1121630232 /nfs/dbraw/zinc/63/02/32/1121630232.db2.gz RPHZFURWFNZJND-MAUKXSAKSA-N 0 1 288.435 3.965 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1cscc1Cl ZINC000611272771 1121633894 /nfs/dbraw/zinc/63/38/94/1121633894.db2.gz YHGSKBYEEQNMJS-SECBINFHSA-N 0 1 263.859 3.975 20 0 CHADMN C[C@@H](NCC1CCC(C(F)(F)F)CC1)c1csnn1 ZINC000412029659 1121637193 /nfs/dbraw/zinc/63/71/93/1121637193.db2.gz ADPRRJNPFNDAOJ-XNWIYYODSA-N 0 1 293.358 3.557 20 0 CHADMN CCN(Cc1cc(-c2ccco2)on1)C1CC(C)(C)C1 ZINC000412028696 1121637662 /nfs/dbraw/zinc/63/76/62/1121637662.db2.gz BMTFDMZNTNDJAJ-UHFFFAOYSA-N 0 1 274.364 3.945 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@H](CC)[C@@H]2CC2(C)C)n1 ZINC000419312032 1121640381 /nfs/dbraw/zinc/64/03/81/1121640381.db2.gz FDKJOXBLVHGCAS-GRYCIOLGSA-N 0 1 297.468 3.798 20 0 CHADMN CCCc1noc(CN(C)[C@@H]2CCC[C@H]2C(C)(C)C)n1 ZINC000419322514 1121654883 /nfs/dbraw/zinc/65/48/83/1121654883.db2.gz HPFBPEXYNSWOOV-CHWSQXEVSA-N 0 1 279.428 3.669 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2c(F)ccc(O)c2F)C1 ZINC000512994029 1121659309 /nfs/dbraw/zinc/65/93/09/1121659309.db2.gz WUVAWDIPYDKBQZ-LLVKDONJSA-N 0 1 269.335 3.538 20 0 CHADMN CC[C@H]1CCCCN1CC(=O)Nc1ccc(SC)cc1 ZINC000048392522 1121660999 /nfs/dbraw/zinc/66/09/99/1121660999.db2.gz AEDUJDDCJZBTOL-AWEZNQCLSA-N 0 1 292.448 3.612 20 0 CHADMN FC(F)(F)c1cccnc1CNc1cc2c(cn1)CCC2 ZINC000645212182 1121668448 /nfs/dbraw/zinc/66/84/48/1121668448.db2.gz WYZQHYXHZIBLEZ-UHFFFAOYSA-N 0 1 293.292 3.596 20 0 CHADMN CC(C)(N[C@@H]1CCC[C@H](C2CCOCC2)C1)C(F)F ZINC000894146914 1121671643 /nfs/dbraw/zinc/67/16/43/1121671643.db2.gz BMLIVCORXAJHDJ-QWHCGFSZSA-N 0 1 275.383 3.605 20 0 CHADMN Clc1ccc(Nc2ccnn2-c2ccncc2)cc1 ZINC001176724791 1121680263 /nfs/dbraw/zinc/68/02/63/1121680263.db2.gz BXIKMCJBRFSQMI-UHFFFAOYSA-N 0 1 270.723 3.664 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](C)Nc1ncnc2[nH]cnc21 ZINC000052432466 1121686345 /nfs/dbraw/zinc/68/63/45/1121686345.db2.gz UQVTZXYJHPQZDM-SNVBAGLBSA-N 0 1 293.330 3.581 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2ccccc2OC)cc1 ZINC000019903230 1121686517 /nfs/dbraw/zinc/68/65/17/1121686517.db2.gz WZZPCULGAPVRKI-CQSZACIVSA-N 0 1 285.387 3.945 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2cc(-c3cccs3)on2)C1 ZINC000052870067 1121690649 /nfs/dbraw/zinc/69/06/49/1121690649.db2.gz WVGREEGRFRDFRF-RYUDHWBXSA-N 0 1 276.405 3.881 20 0 CHADMN COc1ccc(C)cc1CN(Cc1ccccn1)C(C)C ZINC000052218338 1121695565 /nfs/dbraw/zinc/69/55/65/1121695565.db2.gz SNURAFZRJJRKHR-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN CC(C)CCN(C)Cc1nc2ccccc2n1C(F)F ZINC000052246222 1121697030 /nfs/dbraw/zinc/69/70/30/1121697030.db2.gz JRXJZLQGNNSQNT-UHFFFAOYSA-N 0 1 281.350 3.909 20 0 CHADMN CCC1CCN(Cc2nc(-c3cccc(C)c3)no2)CC1 ZINC000052280143 1121698437 /nfs/dbraw/zinc/69/84/37/1121698437.db2.gz WDTRVIIDQKYLLE-UHFFFAOYSA-N 0 1 285.391 3.667 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)C1CCC1)c1ncc[nH]1 ZINC000278961333 1121704271 /nfs/dbraw/zinc/70/42/71/1121704271.db2.gz NSLZLAHAENBXAT-WFASDCNBSA-N 0 1 255.365 3.602 20 0 CHADMN C[C@H](NCc1cnc2c(F)cccc2c1)c1ccccn1 ZINC001177081830 1121708556 /nfs/dbraw/zinc/70/85/56/1121708556.db2.gz RNXWKSJKRKYLBY-LBPRGKRZSA-N 0 1 281.334 3.620 20 0 CHADMN Clc1cnc2oc(CNCc3cccs3)cc2c1 ZINC001177065565 1121709746 /nfs/dbraw/zinc/70/97/46/1121709746.db2.gz ASXVPFLHSCCFPU-UHFFFAOYSA-N 0 1 278.764 3.833 20 0 CHADMN c1c(CNCc2ccccc2C2CC2)nc2ccccn12 ZINC001177122709 1121711636 /nfs/dbraw/zinc/71/16/36/1121711636.db2.gz SOGNVKJXRWPLGM-UHFFFAOYSA-N 0 1 277.371 3.502 20 0 CHADMN Cc1ncoc1CN[C@H](c1ccccc1)C(C)(C)C ZINC000894171843 1121717646 /nfs/dbraw/zinc/71/76/46/1121717646.db2.gz BUGVBWQQFLTGEM-OAHLLOKOSA-N 0 1 258.365 3.860 20 0 CHADMN CC[C@@H](NCc1n[nH]c2ccccc12)c1ccccc1OC ZINC000727465911 1121719886 /nfs/dbraw/zinc/71/98/86/1121719886.db2.gz OZZFFTSVZUXAGS-OAHLLOKOSA-N 0 1 295.386 3.812 20 0 CHADMN C[C@@H](N[C@H]1CCCC(C)(C)CC1)c1csnn1 ZINC000398336002 1121719822 /nfs/dbraw/zinc/71/98/22/1121719822.db2.gz PDEYBGFRXDOXRU-MNOVXSKESA-N 0 1 253.415 3.548 20 0 CHADMN C[C@@H](c1ccncc1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773661862 1121727429 /nfs/dbraw/zinc/72/74/29/1121727429.db2.gz CJWCUXGMEMXHMZ-ZDUSSCGKSA-N 0 1 299.805 3.980 20 0 CHADMN Cc1ccc(CN2CC=C(c3ccc(Cl)nc3)CC2)nc1 ZINC000773665754 1121728538 /nfs/dbraw/zinc/72/85/38/1121728538.db2.gz ZHKXMHDVRQRRLO-UHFFFAOYSA-N 0 1 299.805 3.728 20 0 CHADMN CCc1cccc(F)c1CN[C@@H]1CN(C)Cc2ccccc21 ZINC000527523769 1121733373 /nfs/dbraw/zinc/73/33/73/1121733373.db2.gz COUQCTGINQWIJE-LJQANCHMSA-N 0 1 298.405 3.664 20 0 CHADMN Cc1c(Cl)cccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000877615519 1121734987 /nfs/dbraw/zinc/73/49/87/1121734987.db2.gz SLMQPPJHDZJZCD-ZDUSSCGKSA-N 0 1 271.738 3.880 20 0 CHADMN CC(C)(C)[C@H]1CN(C(=O)CCc2cnc[nH]2)c2ccccc21 ZINC000281458203 1121737947 /nfs/dbraw/zinc/73/79/47/1121737947.db2.gz CWJWBTMNTXTIPQ-HNNXBMFYSA-N 0 1 297.402 3.519 20 0 CHADMN Clc1cscc1CN1CC[C@H]2CSC[C@H]2C1 ZINC000877740967 1121747654 /nfs/dbraw/zinc/74/76/54/1121747654.db2.gz XNKOYZBNBFYMEF-VHSXEESVSA-N 0 1 273.854 3.586 20 0 CHADMN C[C@H](NCc1ccnn1C)c1ccc(C2CCC2)cc1 ZINC000631567405 1129007959 /nfs/dbraw/zinc/00/79/59/1129007959.db2.gz ZJEJKOZNGLDAME-ZDUSSCGKSA-N 0 1 269.392 3.538 20 0 CHADMN CCOc1ccccc1CN[C@H]1CCCc2ncccc21 ZINC000631571976 1129008266 /nfs/dbraw/zinc/00/82/66/1129008266.db2.gz KVKDNAMCNLFMTJ-KRWDZBQOSA-N 0 1 282.387 3.648 20 0 CHADMN CC[C@@H](NCc1ccc(F)c(OC)c1)c1c(C)noc1C ZINC001178228586 1121775363 /nfs/dbraw/zinc/77/53/63/1121775363.db2.gz NXWANVMNUJVVRX-CQSZACIVSA-N 0 1 292.354 3.680 20 0 CHADMN CC(C)N(CC(=O)N(C)c1ccccc1)Cc1ccccc1 ZINC000052876916 1121778370 /nfs/dbraw/zinc/77/83/70/1121778370.db2.gz WXCSYAYVYUVDJB-UHFFFAOYSA-N 0 1 296.414 3.560 20 0 CHADMN FC(F)(F)c1ccccc1OC1CN([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167940717 1121781432 /nfs/dbraw/zinc/78/14/32/1121781432.db2.gz RMYBBZBSOXHLQT-GDNZZTSVSA-N 0 1 297.320 3.567 20 0 CHADMN CCC/C=C\C(=O)Nc1cccc2c1CN(CCC)C2 ZINC000729366860 1121783917 /nfs/dbraw/zinc/78/39/17/1121783917.db2.gz FZXXYYLURBEONZ-POHAHGRESA-N 0 1 272.392 3.707 20 0 CHADMN COc1cc([C@H](C)N[C@@H]2CCCCc3ccccc32)on1 ZINC000924897354 1121786656 /nfs/dbraw/zinc/78/66/56/1121786656.db2.gz VNEUBYTUKGQZAF-SWLSCSKDSA-N 0 1 286.375 3.802 20 0 CHADMN C[C@@H]1C[C@H](C)N1C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878533293 1121789802 /nfs/dbraw/zinc/78/98/02/1121789802.db2.gz MSEHEQWQKUFQPP-VYUIOLGVSA-N 0 1 274.191 3.510 20 0 CHADMN COc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1c(C)noc1C ZINC000631582909 1129009467 /nfs/dbraw/zinc/00/94/67/1129009467.db2.gz OGUPFTREDPCXES-HWPZZCPQSA-N 0 1 286.375 3.638 20 0 CHADMN Cc1ncoc1CNC(C)(C)c1ccc(Cl)cc1 ZINC000894219849 1121795760 /nfs/dbraw/zinc/79/57/60/1121795760.db2.gz HDOGEVPPUGUFGW-UHFFFAOYSA-N 0 1 264.756 3.661 20 0 CHADMN Cc1ccc2c(c1)CCN2C(=O)c1c(O)cccc1Cl ZINC000773752833 1121798884 /nfs/dbraw/zinc/79/88/84/1121798884.db2.gz VJWYKAVDWQLVSB-UHFFFAOYSA-N 0 1 287.746 3.557 20 0 CHADMN Fc1ccc(CN2CCCc3ccccc3C2)cc1F ZINC001204223148 1121803276 /nfs/dbraw/zinc/80/32/76/1121803276.db2.gz SKZGYNXBRLUSKF-UHFFFAOYSA-N 0 1 273.326 3.913 20 0 CHADMN Fc1ccccc1[C@@H]1CCN(Cc2ccc(Cl)nc2)C1 ZINC000730432331 1121810553 /nfs/dbraw/zinc/81/05/53/1121810553.db2.gz CYCDYEFXLUWFEA-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN CC(C)(C)Oc1cccc(CNc2cccc3[nH]nnc32)c1 ZINC001178748018 1121811432 /nfs/dbraw/zinc/81/14/32/1121811432.db2.gz RDIGPPVCOWKGDP-UHFFFAOYSA-N 0 1 296.374 3.747 20 0 CHADMN CCO[C@@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C[C@@H]1C ZINC000451521995 1121812653 /nfs/dbraw/zinc/81/26/53/1121812653.db2.gz AKRFVOYOEMIUQJ-SMDDNHRTSA-N 0 1 285.790 3.726 20 0 CHADMN CCO[C@@H]1CCN(Cc2cccc(F)c2Cl)C[C@@H]1C ZINC000451521995 1121812662 /nfs/dbraw/zinc/81/26/62/1121812662.db2.gz AKRFVOYOEMIUQJ-SMDDNHRTSA-N 0 1 285.790 3.726 20 0 CHADMN CC1(C)CCC[C@@H](NCc2ncn(-c3ccccc3)n2)CC1 ZINC001178806967 1121817853 /nfs/dbraw/zinc/81/78/53/1121817853.db2.gz VCCBNZJXYOJAFM-OAHLLOKOSA-N 0 1 298.434 3.716 20 0 CHADMN Cc1ccc(C[N@H+](CCSC(C)C)C2CC2)o1 ZINC000619779225 1129012269 /nfs/dbraw/zinc/01/22/69/1129012269.db2.gz BTCLFPNLFZGUBO-UHFFFAOYSA-N 0 1 253.411 3.694 20 0 CHADMN Cc1ccc(CN(CCSC(C)C)C2CC2)o1 ZINC000619779225 1129012273 /nfs/dbraw/zinc/01/22/73/1129012273.db2.gz BTCLFPNLFZGUBO-UHFFFAOYSA-N 0 1 253.411 3.694 20 0 CHADMN CCC1CCC(N(C)CC(=O)OCc2ccccc2)CC1 ZINC000731030486 1121843477 /nfs/dbraw/zinc/84/34/77/1121843477.db2.gz ICJQPHRQIHLJCK-UHFFFAOYSA-N 0 1 289.419 3.630 20 0 CHADMN Cc1cc(N2CCC(F)(F)C2)c2cc(F)ccc2n1 ZINC000345103925 1121843771 /nfs/dbraw/zinc/84/37/71/1121843771.db2.gz PWQMUKIJFJRULV-UHFFFAOYSA-N 0 1 266.266 3.528 20 0 CHADMN CCN(Cc1c(C2CC2)cnn1C)Cc1ccccc1C ZINC000667503494 1121844646 /nfs/dbraw/zinc/84/46/46/1121844646.db2.gz NBSHFVMLPKHATO-UHFFFAOYSA-N 0 1 283.419 3.628 20 0 CHADMN CC[C@H](C)[C@H](C)N(CC(=O)OCc1ccccc1)C1CC1 ZINC000731104285 1121846554 /nfs/dbraw/zinc/84/65/54/1121846554.db2.gz YDWRUXCSSRXWGO-GJZGRUSLSA-N 0 1 289.419 3.629 20 0 CHADMN CC1CCC(OC2CCN(C/C=C\Cl)CC2)CC1 ZINC000731104224 1121846809 /nfs/dbraw/zinc/84/68/09/1121846809.db2.gz WGZMBVUSANNYFS-MBXJOHMKSA-N 0 1 271.832 3.799 20 0 CHADMN COC(C)(C)CCN[C@H](c1nccs1)c1ccccc1 ZINC000345155564 1121847131 /nfs/dbraw/zinc/84/71/31/1121847131.db2.gz JBMXTCHYZOMOTQ-AWEZNQCLSA-N 0 1 290.432 3.637 20 0 CHADMN CC(C)c1ncc(CNC(=O)C2(C)CCCCCC2)[nH]1 ZINC001179092044 1121850196 /nfs/dbraw/zinc/85/01/96/1121850196.db2.gz GXZCLHROYBAHTF-UHFFFAOYSA-N 0 1 277.412 3.510 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN1CC[C@@H](CC(C)C)C1 ZINC000072491935 1121853669 /nfs/dbraw/zinc/85/36/69/1121853669.db2.gz FENWQVOHOQBYNF-INIZCTEOSA-N 0 1 288.435 3.610 20 0 CHADMN CCc1ccc(C)nc1NCc1ccc(OC)c(C)c1 ZINC001179138585 1121853950 /nfs/dbraw/zinc/85/39/50/1121853950.db2.gz BFJQQZNNGMBJFA-UHFFFAOYSA-N 0 1 270.376 3.882 20 0 CHADMN Fc1cccc2c1OCC[C@H]2N[C@H]1CCCc2ncccc21 ZINC000631620735 1129013831 /nfs/dbraw/zinc/01/38/31/1129013831.db2.gz HDEIPCZCLAKTGF-DLBZAZTESA-N 0 1 298.361 3.712 20 0 CHADMN CO[C@@]1(C)C[C@H]1NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC001179211112 1121857378 /nfs/dbraw/zinc/85/73/78/1121857378.db2.gz SVSGWFOSWYUKIN-CVEARBPZSA-N 0 1 291.778 3.867 20 0 CHADMN CCSc1cc(CN[C@H]2CCCc3ncccc32)ccn1 ZINC000631621183 1129014302 /nfs/dbraw/zinc/01/43/02/1129014302.db2.gz KWAHGGBEGWNHJF-INIZCTEOSA-N 0 1 299.443 3.756 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC(n2cccn2)CC1 ZINC000731355047 1121864120 /nfs/dbraw/zinc/86/41/20/1121864120.db2.gz GAXPMKKFQADBMH-LBPRGKRZSA-N 0 1 291.345 3.559 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1cnc(Cl)c(OC)c1 ZINC001249927170 1121868553 /nfs/dbraw/zinc/86/85/53/1121868553.db2.gz VONRZGFDYXGPMN-CYBMUJFWSA-N 0 1 282.815 3.898 20 0 CHADMN CC[C@@H](C(=O)Nc1ccc2cncn2c1)c1ccc(F)cc1 ZINC001179310550 1121870983 /nfs/dbraw/zinc/87/09/83/1121870983.db2.gz XAEFTPAMEMUDBG-MRXNPFEDSA-N 0 1 297.333 3.606 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1ccc(SC)cc1 ZINC000731866015 1121890085 /nfs/dbraw/zinc/89/00/85/1121890085.db2.gz PBPYKFGHPOUMEW-UHFFFAOYSA-N 0 1 294.464 3.859 20 0 CHADMN Cc1csc([C@H](C)N[C@@H]2CCO[C@H]2c2ccccc2)n1 ZINC000631653438 1129017264 /nfs/dbraw/zinc/01/72/64/1129017264.db2.gz IJZOABRNPIBRAG-CFVMTHIKSA-N 0 1 288.416 3.632 20 0 CHADMN Cc1ccc(Cl)cc1CNCc1cnn(C2CCC2)c1 ZINC001179728518 1121904169 /nfs/dbraw/zinc/90/41/69/1121904169.db2.gz GQHLIBFSPXWEIR-UHFFFAOYSA-N 0 1 289.810 3.860 20 0 CHADMN CCC/C(C)=C/C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000732160104 1121908495 /nfs/dbraw/zinc/90/84/95/1121908495.db2.gz SSAZSALJKNCCMV-JXMROGBWSA-N 0 1 291.782 3.579 20 0 CHADMN c1coc([C@@H]2CCN(Cn3ccc(-c4ccsc4)n3)C2)c1 ZINC000732184589 1121910091 /nfs/dbraw/zinc/91/00/91/1121910091.db2.gz ZLRZZNHONFFNJB-CYBMUJFWSA-N 0 1 299.399 3.652 20 0 CHADMN Cc1ncoc1CN[C@@H]1CCC(C)(C)c2ccccc21 ZINC000894241614 1121912280 /nfs/dbraw/zinc/91/22/80/1121912280.db2.gz KNNWYVNAMUUSIM-OAHLLOKOSA-N 0 1 270.376 3.885 20 0 CHADMN Cc1nc2ccccn2c1CN1CC[C@H]1c1ccccc1 ZINC000345770348 1121913273 /nfs/dbraw/zinc/91/32/73/1121913273.db2.gz LDJKUWVXJPYNJC-INIZCTEOSA-N 0 1 277.371 3.590 20 0 CHADMN Fc1ccc(-c2noc(-c3cc(-c4ccco4)n[nH]3)n2)cc1 ZINC000345872361 1121924161 /nfs/dbraw/zinc/92/41/61/1121924161.db2.gz WIKJVZDYRYJYAZ-UHFFFAOYSA-N 0 1 296.261 3.526 20 0 CHADMN CCCCCC(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732548294 1121925619 /nfs/dbraw/zinc/92/56/19/1121925619.db2.gz SQFONAFYNGBVCM-JTQLQIEISA-N 0 1 293.798 3.974 20 0 CHADMN CC[C@H]1CCCN(Cc2snc(OC)c2Cl)CC1 ZINC001179938493 1121927598 /nfs/dbraw/zinc/92/75/98/1121927598.db2.gz VJBOBXOMLICYHN-JTQLQIEISA-N 0 1 288.844 3.817 20 0 CHADMN CC[C@@H]1CCN(Cc2cccc(F)c2OC(F)(F)F)C1 ZINC001179979526 1121932819 /nfs/dbraw/zinc/93/28/19/1121932819.db2.gz HYBMMIWQUWMNKG-SNVBAGLBSA-N 0 1 291.288 3.956 20 0 CHADMN CCSCC[C@@H](C)[N@@H+](C)Cc1ccc([O-])c(F)c1F ZINC001179957148 1121934823 /nfs/dbraw/zinc/93/48/23/1121934823.db2.gz LGEAASVYRUDEHZ-SNVBAGLBSA-N 0 1 289.391 3.634 20 0 CHADMN CC[C@H](CN1CCC[C@H]1C(=O)OC(C)C)c1ccccc1 ZINC001179962190 1121937000 /nfs/dbraw/zinc/93/70/00/1121937000.db2.gz MQTSTFIXFGYJHW-WBVHZDCISA-N 0 1 289.419 3.596 20 0 CHADMN CC(C)(C)c1ccc(/C=C\c2nc(C3(N)CCC3)no2)cc1 ZINC000822264221 1121951100 /nfs/dbraw/zinc/95/11/00/1121951100.db2.gz OJIUIJYEFYAPQR-YFHOEESVSA-N 0 1 297.402 3.875 20 0 CHADMN Cc1ccc(F)c(CSCc2n[nH]c(C3CC3)n2)c1 ZINC000419543346 1121955384 /nfs/dbraw/zinc/95/53/84/1121955384.db2.gz KEDJEEVEBVOJDM-UHFFFAOYSA-N 0 1 277.368 3.563 20 0 CHADMN CCc1ncc(CN2CC[C@@H](C)[C@@H]2c2cccc(F)c2)cn1 ZINC000414419508 1121958387 /nfs/dbraw/zinc/95/83/87/1121958387.db2.gz ZTNNGOHCQVDRLW-FZKQIMNGSA-N 0 1 299.393 3.761 20 0 CHADMN CNc1ccc(C)cc1CN1CCOc2ccccc2[C@H]1C ZINC001180165280 1121959679 /nfs/dbraw/zinc/95/96/79/1121959679.db2.gz GKHXQHUWOJKMMO-OAHLLOKOSA-N 0 1 296.414 3.992 20 0 CHADMN CC(C)[C@@H](C)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000733109406 1121961275 /nfs/dbraw/zinc/96/12/75/1121961275.db2.gz WCQBLHUZQRWUKC-ZJUUUORDSA-N 0 1 293.798 3.686 20 0 CHADMN COc1ccc(C)cc1CN(C)Cc1ccc(F)cc1 ZINC000501349504 1121972159 /nfs/dbraw/zinc/97/21/59/1121972159.db2.gz HNDBQOKDILJFKY-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN CC(C)c1cnc(CN(C)[C@H]2CCC[C@@H](C)C2)o1 ZINC000733306757 1121972215 /nfs/dbraw/zinc/97/22/15/1121972215.db2.gz FILJNTYNFAWONV-OLZOCXBDSA-N 0 1 250.386 3.809 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](C)c2cncc(C)c2)s1 ZINC000631707028 1129022269 /nfs/dbraw/zinc/02/22/69/1129022269.db2.gz DBKFXKWIRBMCTC-QWRGUYRKSA-N 0 1 261.394 3.567 20 0 CHADMN CCOc1ccc(C[NH2+]Cc2ccc([O-])c(Cl)c2)cc1 ZINC000733325932 1121976286 /nfs/dbraw/zinc/97/62/86/1121976286.db2.gz ZIOZJCWSRGIYTE-UHFFFAOYSA-N 0 1 291.778 3.734 20 0 CHADMN c1ccc2c(c1)n[nH]c2CNc1ccc(OCC2CC2)cc1 ZINC000733327369 1121977230 /nfs/dbraw/zinc/97/72/30/1121977230.db2.gz FMBCBIUGEYVYOK-UHFFFAOYSA-N 0 1 293.370 3.964 20 0 CHADMN C[C@@]1(F)CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000501426012 1121977559 /nfs/dbraw/zinc/97/75/59/1121977559.db2.gz MJQKBTVSOOURCH-GFCCVEGCSA-N 0 1 277.261 3.519 20 0 CHADMN C[C@@]1(F)CCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000501426012 1121977563 /nfs/dbraw/zinc/97/75/63/1121977563.db2.gz MJQKBTVSOOURCH-GFCCVEGCSA-N 0 1 277.261 3.519 20 0 CHADMN COCC[C@@H](NCc1cccn1C(F)F)c1ccc(C)o1 ZINC001180344143 1121978353 /nfs/dbraw/zinc/97/83/53/1121978353.db2.gz GWRVMVABPYKSKG-CYBMUJFWSA-N 0 1 298.333 3.652 20 0 CHADMN [O-]c1ccc(C[NH2+]C/C=C\c2ccccc2)cc1Cl ZINC000733326598 1121978554 /nfs/dbraw/zinc/97/85/54/1121978554.db2.gz NVWMOAMFLXKACP-DAXSKMNVSA-N 0 1 273.763 3.849 20 0 CHADMN COCC[C@H](NCc1cccn1C(F)F)c1ccc(C)o1 ZINC001180344144 1121979209 /nfs/dbraw/zinc/97/92/09/1121979209.db2.gz GWRVMVABPYKSKG-ZDUSSCGKSA-N 0 1 298.333 3.652 20 0 CHADMN CCCC[N@@H+](C)Cc1csc(C(F)(F)F)c1 ZINC001180375154 1121980961 /nfs/dbraw/zinc/98/09/61/1121980961.db2.gz ISZFVJFNFXKNAJ-UHFFFAOYSA-N 0 1 251.317 3.999 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(SC)cc2)o1 ZINC000894247580 1121982413 /nfs/dbraw/zinc/98/24/13/1121982413.db2.gz WTZQAPYTAJUSAC-LLVKDONJSA-N 0 1 277.389 3.861 20 0 CHADMN CCN(CC)CC(=O)Nc1cccc(-c2ccccc2C)c1 ZINC001180390082 1121982113 /nfs/dbraw/zinc/98/21/13/1121982113.db2.gz VDBNQWSMAGXANV-UHFFFAOYSA-N 0 1 296.414 3.942 20 0 CHADMN CC[C@H]1CCCCN1Cc1sc(N(C)C)nc1Cl ZINC001180372319 1121984481 /nfs/dbraw/zinc/98/44/81/1121984481.db2.gz POQPPJRXXZTICA-JTQLQIEISA-N 0 1 287.860 3.627 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)[C@H](C)N2CCCC2)cc1 ZINC001180576343 1121995821 /nfs/dbraw/zinc/99/58/21/1121995821.db2.gz MVHARFALRGARCC-KGLIPLIRSA-N 0 1 274.408 3.623 20 0 CHADMN Cc1ccc2ccccc2c1NC(=O)[C@H](C)N1CCCC1 ZINC001180575548 1121997280 /nfs/dbraw/zinc/99/72/80/1121997280.db2.gz GJMYLULFBFJYED-AWEZNQCLSA-N 0 1 282.387 3.571 20 0 CHADMN CCOc1ccc(CN2CCSC(CC)(CC)C2)o1 ZINC001180622941 1122001401 /nfs/dbraw/zinc/00/14/01/1122001401.db2.gz LKLPTCJZLNRTLY-UHFFFAOYSA-N 0 1 283.437 3.786 20 0 CHADMN C[C@@H]1CCN(Cc2cc(-c3cccs3)on2)C[C@H]1C ZINC000501789525 1122008393 /nfs/dbraw/zinc/00/83/93/1122008393.db2.gz LUUUNVYLZOYSIK-VXGBXAGGSA-N 0 1 276.405 3.881 20 0 CHADMN CCC(CC)n1ccc(CN2CC[C@@H](C)[C@H](C)C2)n1 ZINC000501797118 1122009932 /nfs/dbraw/zinc/00/99/32/1122009932.db2.gz WEIMCSDFPPZZRJ-ZIAGYGMSSA-N 0 1 263.429 3.722 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@H](C)[C@@H](C)C1 ZINC000501807411 1122009962 /nfs/dbraw/zinc/00/99/62/1122009962.db2.gz XBEXPMDCBVJILI-YPMHNXCESA-N 0 1 294.826 3.565 20 0 CHADMN COc1cccc2c1CN(C[C@H]1CCCCC1(F)F)C2 ZINC000626023309 1122011174 /nfs/dbraw/zinc/01/11/74/1122011174.db2.gz DEWNEESXSLQOKY-CYBMUJFWSA-N 0 1 281.346 3.836 20 0 CHADMN Cc1cccc(-c2noc(CN3CC[C@H](C)[C@H](C)C3)n2)c1 ZINC000501815120 1122015991 /nfs/dbraw/zinc/01/59/91/1122015991.db2.gz MMDGCNKXTGKSDC-UONOGXRCSA-N 0 1 285.391 3.523 20 0 CHADMN C[C@H](O)[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000305674582 1129025630 /nfs/dbraw/zinc/02/56/30/1129025630.db2.gz YXYLEVWGYDKRKK-GVXVVHGQSA-N 0 1 285.790 3.633 20 0 CHADMN C[C@H](O)[C@H]1CCCN([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000305674582 1129025633 /nfs/dbraw/zinc/02/56/33/1129025633.db2.gz YXYLEVWGYDKRKK-GVXVVHGQSA-N 0 1 285.790 3.633 20 0 CHADMN CCC[C@@H](C)N1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000501902596 1122022910 /nfs/dbraw/zinc/02/29/10/1122022910.db2.gz ZURLFAODYASXHV-OAHLLOKOSA-N 0 1 283.419 3.727 20 0 CHADMN Cc1occc1CN1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000414461237 1122023086 /nfs/dbraw/zinc/02/30/86/1122023086.db2.gz DFKWBHGNVCGJBI-BXKDBHETSA-N 0 1 261.287 3.751 20 0 CHADMN Cn1cc(Cl)c(CNC(C)(C)CCc2ccccc2)n1 ZINC000420898768 1122041407 /nfs/dbraw/zinc/04/14/07/1122041407.db2.gz DNLPXDWYANKWAX-UHFFFAOYSA-N 0 1 291.826 3.575 20 0 CHADMN C[C@]1(Cc2ccc(F)cc2)CCCN1Cc1cscn1 ZINC000420927095 1122044172 /nfs/dbraw/zinc/04/41/72/1122044172.db2.gz NWWJCPOMCBZJTB-MRXNPFEDSA-N 0 1 290.407 3.879 20 0 CHADMN COc1nc2ccccc2cc1CN1CCC(C)=C(C)C1 ZINC001181284489 1122046494 /nfs/dbraw/zinc/04/64/94/1122046494.db2.gz BFACKBGAJSNKIA-UHFFFAOYSA-N 0 1 282.387 3.786 20 0 CHADMN CC(C)c1nnc(CN2CC[C@@H](c3ccccc3)C2(C)C)o1 ZINC000421027084 1122061526 /nfs/dbraw/zinc/06/15/26/1122061526.db2.gz UIZJOJUJTKXWTM-HNNXBMFYSA-N 0 1 299.418 3.961 20 0 CHADMN Cc1c(CN(C(C)C)[C@H](C)c2ccsc2)cnn1C ZINC000421017877 1122063785 /nfs/dbraw/zinc/06/37/85/1122063785.db2.gz VRAVLDCVEHMEKY-CYBMUJFWSA-N 0 1 277.437 3.762 20 0 CHADMN CC(C)(C)c1ccncc1CNCc1cc(F)cc(F)c1 ZINC000414492197 1122066738 /nfs/dbraw/zinc/06/67/38/1122066738.db2.gz AEKNAFZRBBGZEN-UHFFFAOYSA-N 0 1 290.357 3.947 20 0 CHADMN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C[C@H]1CCCC(C)(C)C1 ZINC001181675553 1122070879 /nfs/dbraw/zinc/07/08/79/1122070879.db2.gz SNJBGKWFSMKNRR-FRRDWIJNSA-N 0 1 293.373 3.854 20 0 CHADMN CCc1cc(OC)ccc1CN1CC=C(C(F)(F)F)CC1 ZINC000502288443 1122071544 /nfs/dbraw/zinc/07/15/44/1122071544.db2.gz UVMHMWHTIYWOQF-UHFFFAOYSA-N 0 1 299.336 3.952 20 0 CHADMN CC1=C[C@@H](C)C[C@H](CNCc2nccc(C(F)(F)F)n2)C1 ZINC000414503052 1122075197 /nfs/dbraw/zinc/07/51/97/1122075197.db2.gz HRMFKHBGMADSNX-PWSUYJOCSA-N 0 1 299.340 3.577 20 0 CHADMN CC1=C[C@@H](C)C[C@@H](CNCc2nccc(C(F)(F)F)n2)C1 ZINC000414503054 1122075467 /nfs/dbraw/zinc/07/54/67/1122075467.db2.gz HRMFKHBGMADSNX-ZYHUDNBSSA-N 0 1 299.340 3.577 20 0 CHADMN C[C@H]1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C[C@@H](C)C1 ZINC000502388839 1122077751 /nfs/dbraw/zinc/07/77/51/1122077751.db2.gz MAMPNYANCXOFEI-KBPBESRZSA-N 0 1 297.402 3.585 20 0 CHADMN Cc1ccc(F)c(CCNCc2c(Cl)ccnc2F)c1 ZINC001181808615 1122080576 /nfs/dbraw/zinc/08/05/76/1122080576.db2.gz OYTWRLGIPAIHRV-UHFFFAOYSA-N 0 1 296.748 3.654 20 0 CHADMN CC[C@H](CC(C)C)C(=O)Nc1nc(Cl)cc2[nH]cnc21 ZINC001181816482 1122084471 /nfs/dbraw/zinc/08/44/71/1122084471.db2.gz LXYFCYHZBSHUDU-SECBINFHSA-N 0 1 294.786 3.622 20 0 CHADMN C[C@@H](NCc1cccc2[nH]ccc21)c1cc2n(n1)CCCC2 ZINC000631806941 1129030293 /nfs/dbraw/zinc/03/02/93/1129030293.db2.gz FLFPPPPTVOFTFL-CYBMUJFWSA-N 0 1 294.402 3.552 20 0 CHADMN CCOC(=O)CC[N@@H+](C)[C@@H](c1ccccc1Cl)C(C)C ZINC000502539395 1122101310 /nfs/dbraw/zinc/10/13/10/1122101310.db2.gz JMIFOMZFTCSSLU-MRXNPFEDSA-N 0 1 297.826 3.922 20 0 CHADMN Cc1cc(CNCc2ccc(Cl)c(F)c2)cc(C)n1 ZINC000421367177 1122102702 /nfs/dbraw/zinc/10/27/02/1122102702.db2.gz BGSSJWOLXSDECW-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN C[C@H](N[C@@H]1CCCn2nccc21)c1csc(Cl)c1 ZINC000631810535 1129031404 /nfs/dbraw/zinc/03/14/04/1129031404.db2.gz VGPGSHOZAYDVAG-GXSJLCMTSA-N 0 1 281.812 3.784 20 0 CHADMN C[C@H](N[C@@H]1CCCn2nccc21)c1ccc2ccccc2n1 ZINC000631810060 1129031440 /nfs/dbraw/zinc/03/14/40/1129031440.db2.gz VZJDWCVDBDOPEX-SUMWQHHRSA-N 0 1 292.386 3.617 20 0 CHADMN Cn1cccc1CN[C@@H](CC(F)F)c1ccccc1 ZINC000421376071 1122105137 /nfs/dbraw/zinc/10/51/37/1122105137.db2.gz RAWJXBWUGPFXAR-AWEZNQCLSA-N 0 1 264.319 3.511 20 0 CHADMN Cc1scc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)c1C ZINC001182034632 1122105245 /nfs/dbraw/zinc/10/52/45/1122105245.db2.gz URUXYRQYJPOOBP-CVEARBPZSA-N 0 1 277.433 3.508 20 0 CHADMN CC(C)n1cc(CN[C@@H](CC(F)F)c2ccccc2)cn1 ZINC000421378373 1122105660 /nfs/dbraw/zinc/10/56/60/1122105660.db2.gz VAZZDVAITCMMGT-HNNXBMFYSA-N 0 1 293.361 3.950 20 0 CHADMN Cc1coc(CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC001182086549 1122107757 /nfs/dbraw/zinc/10/77/57/1122107757.db2.gz KDARFIFPZMZYFV-OAHLLOKOSA-N 0 1 291.778 3.895 20 0 CHADMN COc1ccc(F)c(CN2CC3(CCC3)[C@@H]2C(C)C)c1 ZINC001182087999 1122109208 /nfs/dbraw/zinc/10/92/08/1122109208.db2.gz SKHNVTVGTYPOQU-INIZCTEOSA-N 0 1 277.383 3.845 20 0 CHADMN CCC(C)(C)NC(=S)Nc1ccccc1SC ZINC000774140331 1122129683 /nfs/dbraw/zinc/12/96/83/1122129683.db2.gz YDNLXHFAMKJMGJ-UHFFFAOYSA-N 0 1 268.451 3.884 20 0 CHADMN COC(=O)c1coc([C@@H](C)N[C@H](C)c2ccc(C)s2)c1 ZINC000774141286 1122129984 /nfs/dbraw/zinc/12/99/84/1122129984.db2.gz SMCIEMFKRHBLFX-GHMZBOCLSA-N 0 1 293.388 3.848 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc3[nH]c(=O)oc32)cc1C ZINC001182355777 1122147753 /nfs/dbraw/zinc/14/77/53/1122147753.db2.gz GFVIJMDXAJMDBU-UHFFFAOYSA-N 0 1 296.370 3.782 20 0 CHADMN Cc1ncc(CN2CC(c3ccccc3)(C(C)C)C2)s1 ZINC000414541563 1122148136 /nfs/dbraw/zinc/14/81/36/1122148136.db2.gz WGAQMSYQNJDGKW-UHFFFAOYSA-N 0 1 286.444 3.861 20 0 CHADMN COC(=O)c1coc([C@H](C)NCc2c(C)cccc2C)c1 ZINC000774257096 1122149104 /nfs/dbraw/zinc/14/91/04/1122149104.db2.gz KLMJHHXYDDQZFB-ZDUSSCGKSA-N 0 1 287.359 3.534 20 0 CHADMN CC(C)(C)C[C@@H]1CC[N@H+](Cc2ccc([O-])c(F)c2F)C1 ZINC001182409481 1122150202 /nfs/dbraw/zinc/15/02/02/1122150202.db2.gz LQMUFBDRSUITLS-NSHDSACASA-N 0 1 283.362 3.929 20 0 CHADMN CC(C)(C)C[C@@H]1CC[N@@H+](Cc2ccc([O-])c(F)c2F)C1 ZINC001182409481 1122150206 /nfs/dbraw/zinc/15/02/06/1122150206.db2.gz LQMUFBDRSUITLS-NSHDSACASA-N 0 1 283.362 3.929 20 0 CHADMN COc1cc(C)c(CN2CCc3cc(C)ccc3C2)c(C)n1 ZINC001182463614 1122165397 /nfs/dbraw/zinc/16/53/97/1122165397.db2.gz VVMSYRFPMOOIRC-UHFFFAOYSA-N 0 1 296.414 3.574 20 0 CHADMN Cc1occc1CN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000414565167 1122165619 /nfs/dbraw/zinc/16/56/19/1122165619.db2.gz WDACCHHRTXFLON-SFHVURJKSA-N 0 1 297.398 3.942 20 0 CHADMN Cc1cc([C@H](NCc2cccc(F)n2)C2CC2)ccc1F ZINC000774465105 1122166523 /nfs/dbraw/zinc/16/65/23/1122166523.db2.gz ZWLVPTCRNICXHY-QGZVFWFLSA-N 0 1 288.341 3.909 20 0 CHADMN Cc1ccncc1CNC(C)(C)c1ccc(F)c(F)c1 ZINC000271707663 1122170774 /nfs/dbraw/zinc/17/07/74/1122170774.db2.gz MZYUAZCMNJJWQE-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN CCc1ccc(C(C)(C)NCc2ccc(OC)cn2)cc1 ZINC000271793520 1122176367 /nfs/dbraw/zinc/17/63/67/1122176367.db2.gz AQZHYTDTCMKKGH-UHFFFAOYSA-N 0 1 284.403 3.678 20 0 CHADMN CO[C@H](c1ccccc1F)[C@@H](C)N[C@H](C)c1nccs1 ZINC000271878036 1122180441 /nfs/dbraw/zinc/18/04/41/1122180441.db2.gz OQLQRMLMVNBASS-GYSYKLTISA-N 0 1 294.395 3.709 20 0 CHADMN Cc1ccc(CN2CCC(=O)[C@H]3CCCC[C@@H]32)cc1C ZINC001204352538 1122182372 /nfs/dbraw/zinc/18/23/72/1122182372.db2.gz BLFOHHJZNBUIJK-IRXDYDNUSA-N 0 1 271.404 3.637 20 0 CHADMN C[C@@H](NC1CC(C)(c2ccccc2)C1)c1cscn1 ZINC000271962783 1122184791 /nfs/dbraw/zinc/18/47/91/1122184791.db2.gz GNEZOKXXCVCVOP-XEBKBJJBSA-N 0 1 272.417 3.914 20 0 CHADMN C[C@@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)CC2(CCCC2)O1 ZINC001182725579 1122185799 /nfs/dbraw/zinc/18/57/99/1122185799.db2.gz LDTKYIPZLHIYCG-IAGOWNOFSA-N 0 1 299.458 3.825 20 0 CHADMN C[C@@H]1CN(C[C@@H]2CCc3ccccc3C2)CC2(CCCC2)O1 ZINC001182725579 1122185801 /nfs/dbraw/zinc/18/58/01/1122185801.db2.gz LDTKYIPZLHIYCG-IAGOWNOFSA-N 0 1 299.458 3.825 20 0 CHADMN CC[C@@H](NCc1ccc(OC)cn1)c1cccc(Cl)c1 ZINC000271991626 1122186090 /nfs/dbraw/zinc/18/60/90/1122186090.db2.gz GJGRRNXIGSKLDY-MRXNPFEDSA-N 0 1 290.794 3.985 20 0 CHADMN Cn1cc(Cl)c(CN2CCC(C)(C)CC(C)(C)C2)n1 ZINC001182826144 1122191380 /nfs/dbraw/zinc/19/13/80/1122191380.db2.gz OJNPEEHRNHJCIE-UHFFFAOYSA-N 0 1 283.847 3.722 20 0 CHADMN OCc1ccc(CN[C@H](CC2CCC2)c2ccccc2)o1 ZINC000272265262 1122195706 /nfs/dbraw/zinc/19/57/06/1122195706.db2.gz JVUWYOWXEVMSGI-GOSISDBHSA-N 0 1 285.387 3.793 20 0 CHADMN COc1c(O)cccc1CN(C)[C@H]1CCc2ccccc21 ZINC000272329355 1122197204 /nfs/dbraw/zinc/19/72/04/1122197204.db2.gz VUWLZPHLFQZWCC-INIZCTEOSA-N 0 1 283.371 3.520 20 0 CHADMN CC[C@H](CN1C[C@@H](C)O[C@@](C)(C(F)F)C1)c1ccccc1 ZINC001182970690 1122197957 /nfs/dbraw/zinc/19/79/57/1122197957.db2.gz PNTVEODQSFKRET-CKEIUWERSA-N 0 1 297.389 3.925 20 0 CHADMN COCC[C@@H](NCc1ccc(C)s1)c1ccc(C)o1 ZINC000272333872 1122198581 /nfs/dbraw/zinc/19/85/81/1122198581.db2.gz RZSVSWKPNSFTIQ-CQSZACIVSA-N 0 1 279.405 3.825 20 0 CHADMN COCC[C@H](N[C@H](C)c1ccc(F)cc1)c1ccco1 ZINC000272408571 1122200718 /nfs/dbraw/zinc/20/07/18/1122200718.db2.gz GFKRXOJBTNEFMD-DOMZBBRYSA-N 0 1 277.339 3.847 20 0 CHADMN C[C@@H](CO)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000272489046 1122203285 /nfs/dbraw/zinc/20/32/85/1122203285.db2.gz UHPWXKOFWUUISW-MEDUHNTESA-N 0 1 293.769 3.539 20 0 CHADMN COCC[C@@H](N[C@H](C)c1ccc(F)c(F)c1)c1ccco1 ZINC000272519680 1122205257 /nfs/dbraw/zinc/20/52/57/1122205257.db2.gz XMQAPKMPBAJKOZ-IAQYHMDHSA-N 0 1 295.329 3.986 20 0 CHADMN COCC[C@@H](N[C@@H](C)c1cccs1)c1ccco1 ZINC000272582653 1122206748 /nfs/dbraw/zinc/20/67/48/1122206748.db2.gz QQARKGHWXLFPGF-NWDGAFQWSA-N 0 1 265.378 3.770 20 0 CHADMN CCOc1ccc(CN(Cc2ccccn2)C2CC2)cc1 ZINC000272638426 1122208734 /nfs/dbraw/zinc/20/87/34/1122208734.db2.gz YTZHXUVUEDIROI-UHFFFAOYSA-N 0 1 282.387 3.645 20 0 CHADMN CN(Cc1ccns1)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001183362340 1122218649 /nfs/dbraw/zinc/21/86/49/1122218649.db2.gz AVVQGTQDVGQQTD-HZPDHXFCSA-N 0 1 272.417 3.769 20 0 CHADMN Cc1cccc(CNCc2nc3ccccc3nc2C)c1 ZINC000647924618 1122218859 /nfs/dbraw/zinc/21/88/59/1122218859.db2.gz UUVYRVDHDROHOX-UHFFFAOYSA-N 0 1 277.371 3.536 20 0 CHADMN Cc1ccc2ncc(CNc3ccc4c(n3)CCCC4)n2c1 ZINC001203566236 1122220064 /nfs/dbraw/zinc/22/00/64/1122220064.db2.gz QNQVWMTYVKLAKX-UHFFFAOYSA-N 0 1 292.386 3.529 20 0 CHADMN COc1ccnc(CN[C@@H](c2ccccc2C)C2CC2)c1 ZINC000273144838 1122221659 /nfs/dbraw/zinc/22/16/59/1122221659.db2.gz KVOODYCTQRPUQL-GOSISDBHSA-N 0 1 282.387 3.640 20 0 CHADMN CCCOc1cccc(CN(C)Cc2ccccn2)c1 ZINC000273376035 1122229850 /nfs/dbraw/zinc/22/98/50/1122229850.db2.gz GUZXUWOAQGRSEY-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN COc1ccnc(CN[C@H](C)c2cc(C)sc2C)c1 ZINC000273380751 1122230757 /nfs/dbraw/zinc/23/07/57/1122230757.db2.gz YWTKFBADUNOXRS-LLVKDONJSA-N 0 1 276.405 3.619 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2C[C@H](C)[C@H](C)C2)s1 ZINC000273550758 1122238749 /nfs/dbraw/zinc/23/87/49/1122238749.db2.gz BYDKGLIWZYGTDC-OCAPTIKFSA-N 0 1 278.343 3.558 20 0 CHADMN C[C@H](CN[C@@H]1c2ccccc2OC[C@@H]1F)c1ccccc1 ZINC001183789746 1122240014 /nfs/dbraw/zinc/24/00/14/1122240014.db2.gz WZSSNMXJDVBJNW-RPVQJOFSSA-N 0 1 285.362 3.852 20 0 CHADMN Cc1nnc([C@@H](C)NCCCc2ccccc2Cl)s1 ZINC000273606417 1122240438 /nfs/dbraw/zinc/24/04/38/1122240438.db2.gz MOZJPRCEJUSLDJ-SNVBAGLBSA-N 0 1 295.839 3.783 20 0 CHADMN C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCC(C)(C)C ZINC000503248432 1122253192 /nfs/dbraw/zinc/25/31/92/1122253192.db2.gz ZXBBMXDBBHGPCM-HNNXBMFYSA-N 0 1 290.451 3.574 20 0 CHADMN COCC[N@H+](Cc1cccc([O-])c1Cl)[C@H]1CC[C@@H](C)C1 ZINC000353181476 1122260422 /nfs/dbraw/zinc/26/04/22/1122260422.db2.gz MEEYTGZXXMBTCM-OCCSQVGLSA-N 0 1 297.826 3.683 20 0 CHADMN COCC[N@@H+](Cc1cccc([O-])c1Cl)[C@H]1CC[C@@H](C)C1 ZINC000353181476 1122260426 /nfs/dbraw/zinc/26/04/26/1122260426.db2.gz MEEYTGZXXMBTCM-OCCSQVGLSA-N 0 1 297.826 3.683 20 0 CHADMN CCCC[C@H](C)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000503491841 1122263289 /nfs/dbraw/zinc/26/32/89/1122263289.db2.gz SOVWLMUMQIKQHL-GJZGRUSLSA-N 0 1 294.439 3.605 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2ccc(C(F)(F)F)cc2)CCO1 ZINC000503576893 1122268027 /nfs/dbraw/zinc/26/80/27/1122268027.db2.gz IICPQQBAIBLVRX-BXUZGUMPSA-N 0 1 287.325 3.877 20 0 CHADMN Cc1nccc(N2CC[C@H](C(F)(F)F)[C@@H]2C)c1Cl ZINC000503581687 1122268384 /nfs/dbraw/zinc/26/83/84/1122268384.db2.gz QDWLJBMDEJKIMF-IUCAKERBSA-N 0 1 278.705 3.821 20 0 CHADMN COc1c(F)cc(F)cc1CN1CCC[C@H](C)[C@H]1C ZINC001143558507 1122274682 /nfs/dbraw/zinc/27/46/82/1122274682.db2.gz YQJGQYPLPKKLKP-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN Cc1ccc([O-])c(C[NH2+]C(CC(C)C)CC(C)C)n1 ZINC000504162535 1122288423 /nfs/dbraw/zinc/28/84/23/1122288423.db2.gz LOKXXICPSNBWBR-UHFFFAOYSA-N 0 1 264.413 3.646 20 0 CHADMN Cc1cc(Br)cc(CN(C)Cc2ccco2)c1 ZINC000774821335 1122317908 /nfs/dbraw/zinc/31/79/08/1122317908.db2.gz CRALMQKYOJUDHB-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN Cc1cc([C@@H](C)Nc2ccncc2C(F)(F)F)c(C)o1 ZINC001185106101 1122320151 /nfs/dbraw/zinc/32/01/51/1122320151.db2.gz IHGCQJCWQRKABA-SECBINFHSA-N 0 1 284.281 3.905 20 0 CHADMN Cc1cccc2nc(NC(=O)[C@H]3CCC(C)(C)C3)[nH]c21 ZINC001185155866 1122326282 /nfs/dbraw/zinc/32/62/82/1122326282.db2.gz JIOZQVLJJFHNSP-NSHDSACASA-N 0 1 271.364 3.636 20 0 CHADMN O=S(=O)(Nc1cc2ccccc2s1)c1ccsc1 ZINC001185351526 1122333292 /nfs/dbraw/zinc/33/32/92/1122333292.db2.gz ZRYKJHZFZHEMJN-UHFFFAOYSA-N 0 1 295.410 3.764 20 0 CHADMN Cc1ccc(C(C)C)cc1NS(=O)(=O)c1ccsc1 ZINC001185391789 1122336511 /nfs/dbraw/zinc/33/65/11/1122336511.db2.gz QQUQTWYTBFJVRO-UHFFFAOYSA-N 0 1 295.429 3.981 20 0 CHADMN FC(F)(F)c1cnccc1N[C@H]1C[C@H]1C1CCCCC1 ZINC001185555251 1122346880 /nfs/dbraw/zinc/34/68/80/1122346880.db2.gz MUTKZWGXNWXXDP-FZMZJTMJSA-N 0 1 284.325 3.903 20 0 CHADMN CCOc1c(Cl)cc(CN2CCC[C@H](C)C2)cc1OC ZINC000505336627 1122357003 /nfs/dbraw/zinc/35/70/03/1122357003.db2.gz CSGSRLLLSJWGEC-LBPRGKRZSA-N 0 1 297.826 3.979 20 0 CHADMN C[C@@H](C(=O)Nc1ccccc1C(F)F)N1CCCCCC1 ZINC000425071100 1122366567 /nfs/dbraw/zinc/36/65/67/1122366567.db2.gz JMMHZGCZDHCINZ-LBPRGKRZSA-N 0 1 296.361 3.827 20 0 CHADMN CC(C)n1ncnc1CN1CCC[C@@H]1CCC1CCCC1 ZINC000434479688 1122370940 /nfs/dbraw/zinc/37/09/40/1122370940.db2.gz ZYRKDNUOUHYFGQ-MRXNPFEDSA-N 0 1 290.455 3.794 20 0 CHADMN Cc1cccnc1CN[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000154619972 1122375365 /nfs/dbraw/zinc/37/53/65/1122375365.db2.gz DQCRELPEEIXKLE-FZKQIMNGSA-N 0 1 284.378 3.942 20 0 CHADMN CC[C@]1(C)COCCN1C[C@@H](OC)c1ccc(Cl)cc1 ZINC000514118681 1122379970 /nfs/dbraw/zinc/37/99/70/1122379970.db2.gz MCDVYXAEGBEAFT-HZPDHXFCSA-N 0 1 297.826 3.528 20 0 CHADMN Cc1ncc(CSc2nc3ccc(Cl)cc3[nH]2)cn1 ZINC000505437749 1122380238 /nfs/dbraw/zinc/38/02/38/1122380238.db2.gz HAANFLHZELXOHE-UHFFFAOYSA-N 0 1 290.779 3.607 20 0 CHADMN CC1(C)CCN(Cc2nc3ccc(F)cc3o2)CCS1 ZINC000434675120 1122392719 /nfs/dbraw/zinc/39/27/19/1122392719.db2.gz XTOKTUCZMOKCON-UHFFFAOYSA-N 0 1 294.395 3.684 20 0 CHADMN Cc1cc(Cl)cc(CCN2CCCCC2)c1F ZINC001250242438 1122394503 /nfs/dbraw/zinc/39/45/03/1122394503.db2.gz ZBZPNOSGYDWIAA-UHFFFAOYSA-N 0 1 255.764 3.816 20 0 CHADMN COc1cc(CCN2CCCCC2)c(F)c(F)c1Cl ZINC001250242667 1122395081 /nfs/dbraw/zinc/39/50/81/1122395081.db2.gz YYSXMRJAVUPCEF-UHFFFAOYSA-N 0 1 289.753 3.655 20 0 CHADMN C[C@@H](C[N@@H+](C)CC1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC000901598830 1129051944 /nfs/dbraw/zinc/05/19/44/1129051944.db2.gz ZBXYLJCKTDJSSK-AWEZNQCLSA-N 0 1 281.440 3.780 20 0 CHADMN COc1cccc([C@@H](C)NCc2cn(C(C)C)nc2C)c1 ZINC000281290996 1122400445 /nfs/dbraw/zinc/40/04/45/1122400445.db2.gz IOHQDBMLFQPQMJ-CYBMUJFWSA-N 0 1 287.407 3.632 20 0 CHADMN CSc1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)s1 ZINC000430100044 1122404664 /nfs/dbraw/zinc/40/46/64/1122404664.db2.gz GCUUYPSVJGHAOV-PWSUYJOCSA-N 0 1 289.416 3.947 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(F)c3n[nH]cc32)cc1F ZINC001205371325 1122405628 /nfs/dbraw/zinc/40/56/28/1122405628.db2.gz MRFCWYVVNGSGPT-UHFFFAOYSA-N 0 1 287.313 3.570 20 0 CHADMN Cc1c[nH]nc1CN1CCC(Cc2ccc(C)c(C)c2)CC1 ZINC000430106619 1122405625 /nfs/dbraw/zinc/40/56/25/1122405625.db2.gz RWGVDKZCLVLGCP-UHFFFAOYSA-N 0 1 297.446 3.790 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@](C)(c3ccc(C)cc3)C2)o1 ZINC000434749564 1122408936 /nfs/dbraw/zinc/40/89/36/1122408936.db2.gz VZKFWYADRXPNDT-KSSFIOAISA-N 0 1 299.418 3.665 20 0 CHADMN Cc1ccccc1[C@@H]1CCC[N@H+]1CCOCC(F)(F)F ZINC000505521516 1122413261 /nfs/dbraw/zinc/41/32/61/1122413261.db2.gz WRRMBKHUINVPKU-AWEZNQCLSA-N 0 1 287.325 3.711 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@](C)(CCc3ccccc3)C2)no1 ZINC000434905622 1122420508 /nfs/dbraw/zinc/42/05/08/1122420508.db2.gz JYYRIUNXLNHQFX-SFHVURJKSA-N 0 1 284.403 3.828 20 0 CHADMN Cc1cc(CN2CC[C@](C)(CCc3ccccc3)C2)no1 ZINC000434905622 1122420510 /nfs/dbraw/zinc/42/05/10/1122420510.db2.gz JYYRIUNXLNHQFX-SFHVURJKSA-N 0 1 284.403 3.828 20 0 CHADMN CCCn1nc(C)c(CN2CC[C@H]2c2ccccc2)c1C ZINC000434984924 1122426130 /nfs/dbraw/zinc/42/61/30/1122426130.db2.gz DEPZUDBXBUVIAF-SFHVURJKSA-N 0 1 283.419 3.857 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1ccc(-c3cc[nH]n3)o1)C2 ZINC000434985072 1122426905 /nfs/dbraw/zinc/42/69/05/1122426905.db2.gz FSDNHFOXEDDRMU-UHFFFAOYSA-N 0 1 293.370 3.536 20 0 CHADMN Cc1ccc([C@]2(C)CC[N@@H+](Cc3nc(C)ccc3O)C2)cc1 ZINC000435040249 1122428564 /nfs/dbraw/zinc/42/85/64/1122428564.db2.gz DUDCJQIAXDPXEK-LJQANCHMSA-N 0 1 296.414 3.568 20 0 CHADMN Cc1ccc([C@]2(C)CC[N@@H+](Cc3cncs3)C2)cc1 ZINC000435042855 1122429016 /nfs/dbraw/zinc/42/90/16/1122429016.db2.gz NVLNEXAKDSKBNF-MRXNPFEDSA-N 0 1 272.417 3.615 20 0 CHADMN Cc1ccc([C@@]2(C)CC[N@@H+](Cc3cncs3)C2)cc1 ZINC000435042853 1122429169 /nfs/dbraw/zinc/42/91/69/1122429169.db2.gz NVLNEXAKDSKBNF-INIZCTEOSA-N 0 1 272.417 3.615 20 0 CHADMN C[C@H](c1ccco1)N(Cc1ccc(-c2cc[nH]n2)o1)C1CC1 ZINC000435128711 1122436998 /nfs/dbraw/zinc/43/69/98/1122436998.db2.gz FVSREVPGQDBKKA-GFCCVEGCSA-N 0 1 297.358 3.988 20 0 CHADMN Cc1cccc(CNCc2conc2Cc2ccccc2)c1 ZINC000514680630 1122438374 /nfs/dbraw/zinc/43/83/74/1122438374.db2.gz DSBPFJCIHQBCPC-UHFFFAOYSA-N 0 1 292.382 3.864 20 0 CHADMN Cc1ccc2oc(NCc3cnc(C(C)C)[nH]3)nc2c1 ZINC001187724928 1122440183 /nfs/dbraw/zinc/44/01/83/1122440183.db2.gz UUQMRSZAGZZPOS-UHFFFAOYSA-N 0 1 270.336 3.595 20 0 CHADMN Cc1ccoc1CN(C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000430129470 1122442283 /nfs/dbraw/zinc/44/22/83/1122442283.db2.gz INGJTCLCJDUZIX-UHFFFAOYSA-N 0 1 295.386 3.919 20 0 CHADMN Cc1nc2ccccn2c1CNCc1ccc(Cl)s1 ZINC000071307519 1129055078 /nfs/dbraw/zinc/05/50/78/1129055078.db2.gz QEPWEYVIRGTOCO-UHFFFAOYSA-N 0 1 291.807 3.647 20 0 CHADMN C[C@H](SCc1nn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC000435233363 1122445685 /nfs/dbraw/zinc/44/56/85/1122445685.db2.gz UPNQOHXWPMZCCY-LURJTMIESA-N 0 1 289.191 3.501 20 0 CHADMN C[C@H](SCc1nn[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000435233363 1122445686 /nfs/dbraw/zinc/44/56/86/1122445686.db2.gz UPNQOHXWPMZCCY-LURJTMIESA-N 0 1 289.191 3.501 20 0 CHADMN CN(Cc1cnc(-c2ccncc2)s1)Cc1ccccc1 ZINC000435239135 1122447090 /nfs/dbraw/zinc/44/70/90/1122447090.db2.gz IYEQIRGWQDUGLF-UHFFFAOYSA-N 0 1 295.411 3.837 20 0 CHADMN Cc1c(CN(C)Cc2cc3cc(C)c(C)cc3o2)cnn1C ZINC000514823311 1122454981 /nfs/dbraw/zinc/45/49/81/1122454981.db2.gz UEAYPDQECRHPMW-UHFFFAOYSA-N 0 1 297.402 3.724 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCC[C@H](C)F)n2)o1 ZINC000505657803 1122455046 /nfs/dbraw/zinc/45/50/46/1122455046.db2.gz HCZORIOPUQLEGF-UDIARPCQSA-N 0 1 281.356 3.717 20 0 CHADMN CC(C)n1cncc1CN1CCC[C@@H](Nc2ccccc2)C1 ZINC000425331235 1122455220 /nfs/dbraw/zinc/45/52/20/1122455220.db2.gz CCUOLMBPPKEPDA-QGZVFWFLSA-N 0 1 298.434 3.541 20 0 CHADMN CCCCN1C(=O)N=NC1SC1C[C@H](C)C[C@@H](C)C1 ZINC001188155799 1122459497 /nfs/dbraw/zinc/45/94/97/1122459497.db2.gz VBJZRTYIGZEERC-GHMZBOCLSA-N 0 1 283.441 3.701 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCCCCF)n2)o1 ZINC000505666704 1122459847 /nfs/dbraw/zinc/45/98/47/1122459847.db2.gz YLAXYYNSZXLWMO-SREVYHEPSA-N 0 1 281.356 3.718 20 0 CHADMN CS[C@H]1CC[C@@H](N(C)Cc2csc(C(C)C)n2)C1 ZINC000075922244 1122460137 /nfs/dbraw/zinc/46/01/37/1122460137.db2.gz QTAXVDQUZUPSEY-OLZOCXBDSA-N 0 1 284.494 3.982 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@H](C)c1cc(OC)ncc1F ZINC000514867624 1122460309 /nfs/dbraw/zinc/46/03/09/1122460309.db2.gz MBHAVLZSWMFIQY-BDAKNGLRSA-N 0 1 294.292 3.611 20 0 CHADMN CCc1cccc(Cl)c1CN1CC(CC(F)F)C1 ZINC000425364153 1122462550 /nfs/dbraw/zinc/46/25/50/1122462550.db2.gz FQVACFVNXACVET-UHFFFAOYSA-N 0 1 273.754 3.989 20 0 CHADMN CC(C)COc1ccc(CCN[C@@H](C)c2ncco2)cc1 ZINC000924993679 1122465275 /nfs/dbraw/zinc/46/52/75/1122465275.db2.gz VMFXUHRSCSJSNI-AWEZNQCLSA-N 0 1 288.391 3.603 20 0 CHADMN CC(C)[C@@H]1CCC[C@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC000505708426 1122477222 /nfs/dbraw/zinc/47/72/22/1122477222.db2.gz ZMPAFIYCAWKSAW-OLZOCXBDSA-N 0 1 285.391 3.508 20 0 CHADMN Cc1cc(N2CCC=C(C)C2)c2cc(F)ccc2n1 ZINC000435594999 1122477620 /nfs/dbraw/zinc/47/76/20/1122477620.db2.gz AQEFLYBXBUEJMD-UHFFFAOYSA-N 0 1 256.324 3.839 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2snnc2C)c(C)s1 ZINC000930196988 1122503065 /nfs/dbraw/zinc/50/30/65/1122503065.db2.gz MJKYCQJAFOACOB-DTWKUNHWSA-N 0 1 281.450 3.937 20 0 CHADMN CC(C)Cc1noc(CN2CC[C@H](C)[C@@H]3CCCC[C@@H]32)n1 ZINC000515547056 1122509278 /nfs/dbraw/zinc/50/92/78/1122509278.db2.gz IEKMMWLPRDUKLX-KKUMJFAQSA-N 0 1 291.439 3.669 20 0 CHADMN C[C@H](C1CCCCC1)[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000515615148 1122517010 /nfs/dbraw/zinc/51/70/10/1122517010.db2.gz SWSJFQLEKQRDBI-GFCCVEGCSA-N 0 1 279.428 3.768 20 0 CHADMN C[C@H](C1CCCCC1)N(C)Cc1nc(C(C)(C)C)no1 ZINC000515615148 1122517013 /nfs/dbraw/zinc/51/70/13/1122517013.db2.gz SWSJFQLEKQRDBI-GFCCVEGCSA-N 0 1 279.428 3.768 20 0 CHADMN CC(C)CC[C@@H](O)CN(Cc1ccc(F)cc1F)C1CC1 ZINC001190384032 1122534558 /nfs/dbraw/zinc/53/45/58/1122534558.db2.gz VXYXMEYOUIZAGV-MRXNPFEDSA-N 0 1 297.389 3.726 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc3c(n2)CCC3)cc1 ZINC000515791975 1122539383 /nfs/dbraw/zinc/53/93/83/1122539383.db2.gz IGMNETCMPNOMGW-UHFFFAOYSA-N 0 1 296.414 3.601 20 0 CHADMN FC(F)(F)CNc1ccnc(C2(C(F)(F)F)CC2)c1 ZINC001161630301 1122548822 /nfs/dbraw/zinc/54/88/22/1122548822.db2.gz FZZPUYROBBVIKV-UHFFFAOYSA-N 0 1 284.203 3.650 20 0 CHADMN Cc1cc(NCc2cccnn2)c2cc(Cl)cc(C)c2n1 ZINC000436431984 1122548998 /nfs/dbraw/zinc/54/89/98/1122548998.db2.gz MODNVMBGILSWCL-UHFFFAOYSA-N 0 1 298.777 3.907 20 0 CHADMN C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1cccc([O-])c1Cl ZINC000353201090 1122550780 /nfs/dbraw/zinc/55/07/80/1122550780.db2.gz FAPNXEITBYCBHR-LLVKDONJSA-N 0 1 265.784 3.810 20 0 CHADMN C[C@@H]1CC2(CCC2)C[N@H+]1Cc1cccc([O-])c1Cl ZINC000353201090 1122550782 /nfs/dbraw/zinc/55/07/82/1122550782.db2.gz FAPNXEITBYCBHR-LLVKDONJSA-N 0 1 265.784 3.810 20 0 CHADMN Cc1ccccc1C(F)(F)CNc1nnc(C(F)F)o1 ZINC000664560276 1122551245 /nfs/dbraw/zinc/55/12/45/1122551245.db2.gz KQEYRQIDUQGJJG-UHFFFAOYSA-N 0 1 289.232 3.520 20 0 CHADMN C[C@H]1CCC[C@@H]1NC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436482288 1122552365 /nfs/dbraw/zinc/55/23/65/1122552365.db2.gz HSANBUAECCASDD-XVKPBYJWSA-N 0 1 288.174 3.617 20 0 CHADMN CC[C@H](NCc1cccc(N)c1)c1cc(F)ccc1F ZINC000436483363 1122554801 /nfs/dbraw/zinc/55/48/01/1122554801.db2.gz DVSTULKBZWLGAD-INIZCTEOSA-N 0 1 276.330 3.788 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1cc2c(cc1Cl)OCCO2 ZINC001190864130 1122558913 /nfs/dbraw/zinc/55/89/13/1122558913.db2.gz CVBYPDOPSQHGRM-VXGBXAGGSA-N 0 1 295.810 3.874 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)c2cc(C)ccc2C)c1 ZINC000436654807 1122568146 /nfs/dbraw/zinc/56/81/46/1122568146.db2.gz YLIRSTDYOXNULL-UHFFFAOYSA-N 0 1 297.354 3.854 20 0 CHADMN CC(C)(/C=C\Cl)NCc1cc2ccc(F)cc2[nH]c1=O ZINC001203734817 1122570544 /nfs/dbraw/zinc/57/05/44/1122570544.db2.gz XFFULVGEMJTJMW-WAYWQWQTSA-N 0 1 294.757 3.700 20 0 CHADMN Cc1ccc(C[C@H](C)N[C@H](C)c2ncco2)c(C)c1 ZINC000925010566 1122571123 /nfs/dbraw/zinc/57/11/23/1122571123.db2.gz OMRRJSFLGBZFIV-UONOGXRCSA-N 0 1 258.365 3.573 20 0 CHADMN CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000436692302 1122571277 /nfs/dbraw/zinc/57/12/77/1122571277.db2.gz WPXSQZPDNFVPRI-DGCLKSJQSA-N 0 1 295.810 3.990 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)CCCC2CCCC2)c1 ZINC000436680719 1122571763 /nfs/dbraw/zinc/57/17/63/1122571763.db2.gz OBOMEDAGIWIJQN-UHFFFAOYSA-N 0 1 289.375 3.894 20 0 CHADMN CC(=O)c1cc(CN2CCC[C@H](C(C)(C)C)CC2)on1 ZINC000516140781 1122572498 /nfs/dbraw/zinc/57/24/98/1122572498.db2.gz CDBDYZCETZPRDB-ZDUSSCGKSA-N 0 1 278.396 3.525 20 0 CHADMN CCc1ccc2nc(-c3cc(F)c([O-])c(F)c3)[nH]c2c1 ZINC000436735263 1122575790 /nfs/dbraw/zinc/57/57/90/1122575790.db2.gz DMHDTZHSSYWJLW-UHFFFAOYSA-N 0 1 274.270 3.776 20 0 CHADMN CCc1ccc2[nH]c(-c3cc(F)c(O)c(F)c3)nc2c1 ZINC000436735263 1122575793 /nfs/dbraw/zinc/57/57/93/1122575793.db2.gz DMHDTZHSSYWJLW-UHFFFAOYSA-N 0 1 274.270 3.776 20 0 CHADMN CCc1ccc2nc(-c3cc(F)c(O)c(F)c3)[nH]c2c1 ZINC000436735263 1122575794 /nfs/dbraw/zinc/57/57/94/1122575794.db2.gz DMHDTZHSSYWJLW-UHFFFAOYSA-N 0 1 274.270 3.776 20 0 CHADMN C[C@@H]1c2c(F)cccc2CCN1CCOCc1ccccc1 ZINC001191172914 1122579266 /nfs/dbraw/zinc/57/92/66/1122579266.db2.gz BSUBBUQFYYPUDS-OAHLLOKOSA-N 0 1 299.389 3.962 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)C(=O)c1ccc(F)cc1O ZINC000436816799 1122584567 /nfs/dbraw/zinc/58/45/67/1122584567.db2.gz GEEYINOYPMXPFY-JLHYYAGUSA-N 0 1 299.345 3.707 20 0 CHADMN Cc1ccc(F)cc1NC(=O)Nc1ncc(Cl)cc1O ZINC001191379814 1122594112 /nfs/dbraw/zinc/59/41/12/1122594112.db2.gz ZLXYGHXMELZQHG-UHFFFAOYSA-N 0 1 295.701 3.532 20 0 CHADMN Cc1ncoc1CN[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000894323325 1122596095 /nfs/dbraw/zinc/59/60/95/1122596095.db2.gz CYYITJUNOYFKMA-QFYYESIMSA-N 0 1 274.339 3.535 20 0 CHADMN CC[C@@H]1CCCN(Cc2ccn(CCc3ccccc3)n2)C1 ZINC001191409665 1122597514 /nfs/dbraw/zinc/59/75/14/1122597514.db2.gz WAKDTNHAEHKOMF-QGZVFWFLSA-N 0 1 297.446 3.748 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1C(=O)c1c(O)cccc1F ZINC000436942539 1122598004 /nfs/dbraw/zinc/59/80/04/1122598004.db2.gz IPEGEWSRHHWVHI-OAHLLOKOSA-N 0 1 299.345 3.817 20 0 CHADMN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1ccc(O)c(Cl)c1 ZINC000436985228 1122602855 /nfs/dbraw/zinc/60/28/55/1122602855.db2.gz DPGNSKWFTDDLTO-MSRIBSCDSA-N 0 1 281.783 3.600 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N1CCCC[C@H]1CC1CCC1 ZINC000620571967 1129066609 /nfs/dbraw/zinc/06/66/09/1129066609.db2.gz IQJHNYDBOQNSGK-AWEZNQCLSA-N 0 1 297.402 3.748 20 0 CHADMN CC(C)(C)OC(=O)N1CCN(CCCC2CCCC2)CC1 ZINC001192032624 1122626884 /nfs/dbraw/zinc/62/68/84/1122626884.db2.gz WHYVAIJUEQMNLP-UHFFFAOYSA-N 0 1 296.455 3.510 20 0 CHADMN CCc1nc(C)c(-c2nc3c(cc(Cl)cc3F)[nH]2)[nH]1 ZINC001250445061 1122627576 /nfs/dbraw/zinc/62/75/76/1122627576.db2.gz DKCWLEYVRKYBLG-UHFFFAOYSA-N 0 1 278.718 3.616 20 0 CHADMN CCC(CC)n1ccc(CN2C[C@@H](C)CC[C@@H]2C)n1 ZINC000437566365 1122640538 /nfs/dbraw/zinc/64/05/38/1122640538.db2.gz FTLDJKOMWLJUHD-KBPBESRZSA-N 0 1 263.429 3.865 20 0 CHADMN COc1cccc(CN(C)Cc2cc3c(cccc3F)[nH]2)c1 ZINC000437580020 1122642122 /nfs/dbraw/zinc/64/21/22/1122642122.db2.gz JPYGYFOYANAILQ-UHFFFAOYSA-N 0 1 298.361 3.948 20 0 CHADMN COc1cc(C)cc(CN[C@@H](C)c2cn3ccccc3n2)c1 ZINC000517040533 1122643858 /nfs/dbraw/zinc/64/38/58/1122643858.db2.gz UMTGAIDANOHICR-AWEZNQCLSA-N 0 1 295.386 3.502 20 0 CHADMN CC(C)COc1ccc(CN(C)Cc2ccco2)cc1 ZINC000506084362 1122647537 /nfs/dbraw/zinc/64/75/37/1122647537.db2.gz BVYMYGWLNJOKLM-UHFFFAOYSA-N 0 1 273.376 3.946 20 0 CHADMN c1ccc2[nH]c(CN3CCC[C@@H]4CCCC[C@H]43)nc2c1 ZINC000506112092 1122650992 /nfs/dbraw/zinc/65/09/92/1122650992.db2.gz IXZJYNPAOPUXPZ-XJKSGUPXSA-N 0 1 269.392 3.718 20 0 CHADMN C[C@H](NCCOCC1CCC1)c1c(F)cccc1Cl ZINC001192625719 1122655015 /nfs/dbraw/zinc/65/50/15/1122655015.db2.gz FNTICXOHGVHNGN-NSHDSACASA-N 0 1 285.790 3.946 20 0 CHADMN Cc1cccc(OCCN(C)Cc2ccc(Cl)o2)c1 ZINC000506146773 1122658696 /nfs/dbraw/zinc/65/86/96/1122658696.db2.gz FWEFOCXYSOEHDV-UHFFFAOYSA-N 0 1 279.767 3.752 20 0 CHADMN Cc1nc(-c2cc(Cl)c(O)cc2F)ccc1F ZINC001250490723 1122658948 /nfs/dbraw/zinc/65/89/48/1122658948.db2.gz MXFJDVUZKJDUDF-UHFFFAOYSA-N 0 1 255.651 3.694 20 0 CHADMN Cc1ccccc1[C@@H](C)N1CCO[C@H](Cc2ccccc2)C1 ZINC001192847702 1122660277 /nfs/dbraw/zinc/66/02/77/1122660277.db2.gz KVRANMIQAVVATF-IEBWSBKVSA-N 0 1 295.426 4.000 20 0 CHADMN CN(CCOc1ccccc1Cl)Cc1ccsc1 ZINC000506164848 1122663003 /nfs/dbraw/zinc/66/30/03/1122663003.db2.gz WXAWNJUYAYEPSX-UHFFFAOYSA-N 0 1 281.808 3.912 20 0 CHADMN C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC1CCCCC1 ZINC001192991423 1122667011 /nfs/dbraw/zinc/66/70/11/1122667011.db2.gz ZVUUNYFNVGKFDC-AWEZNQCLSA-N 0 1 296.455 3.508 20 0 CHADMN CC1CC(CN2CCc3c4ccccc4[nH]c3C2)C1 ZINC001193003531 1122667747 /nfs/dbraw/zinc/66/77/47/1122667747.db2.gz XOUOBIXJIPEPAP-UHFFFAOYSA-N 0 1 254.377 3.572 20 0 CHADMN CCOC(=O)CN(C[C@@H](C)CC)[C@H](C)c1ccccc1 ZINC001192966847 1122668087 /nfs/dbraw/zinc/66/80/87/1122668087.db2.gz YIVSRALGVDCXLD-LSDHHAIUSA-N 0 1 277.408 3.659 20 0 CHADMN C[C@H](c1ccncc1)N(C)Cc1cc2c(cccc2F)[nH]1 ZINC000437981218 1122670121 /nfs/dbraw/zinc/67/01/21/1122670121.db2.gz BPYKYWSHPOIMKS-GFCCVEGCSA-N 0 1 283.350 3.895 20 0 CHADMN CCC(CC)n1ccc(CN2CCC[C@@H](C)[C@@H]2C)n1 ZINC000438062958 1122673718 /nfs/dbraw/zinc/67/37/18/1122673718.db2.gz XVBWEFVCLWVECM-KGLIPLIRSA-N 0 1 263.429 3.865 20 0 CHADMN C[C@@H]1CC[C@@H]1N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000438073175 1122673940 /nfs/dbraw/zinc/67/39/40/1122673940.db2.gz KITUKFIKYDNWLJ-UGFHNGPFSA-N 0 1 289.810 3.551 20 0 CHADMN CCCc1csc(CN2CCCC[C@@H]2CC)n1 ZINC000426039531 1122705876 /nfs/dbraw/zinc/70/58/76/1122705876.db2.gz NJLVHQOJBZYCJX-ZDUSSCGKSA-N 0 1 252.427 3.860 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000438120065 1122682948 /nfs/dbraw/zinc/68/29/48/1122682948.db2.gz KQGAUABGKADTBT-GXTWGEPZSA-N 0 1 297.801 3.728 20 0 CHADMN CCc1cnc(CN2CCC[C@@H](C(C)C)C2)s1 ZINC000438323782 1122691243 /nfs/dbraw/zinc/69/12/43/1122691243.db2.gz JLJLIOPWQCNPIW-GFCCVEGCSA-N 0 1 252.427 3.574 20 0 CHADMN Cc1ccc2cc(CN3C[C@H](C)O[C@H](C)[C@H]3C)ccc2n1 ZINC000438348953 1122691761 /nfs/dbraw/zinc/69/17/61/1122691761.db2.gz ZSSWZJDLGDPZQV-RRFJBIMHSA-N 0 1 284.403 3.541 20 0 CHADMN CC(C)(NCc1ccns1)c1ccc(Cl)cc1 ZINC000638509627 1122700050 /nfs/dbraw/zinc/70/00/50/1122700050.db2.gz VYRGQQWFLWQPJO-UHFFFAOYSA-N 0 1 266.797 3.821 20 0 CHADMN Fc1cccc2c1OCC[C@H]2NCc1cccc2cc[nH]c21 ZINC000438466151 1122702742 /nfs/dbraw/zinc/70/27/42/1122702742.db2.gz ATDZFBUVYROCDU-MRXNPFEDSA-N 0 1 296.345 3.920 20 0 CHADMN CCC(CC)n1ccc(CN2CC[C@](C)(CC)C2)n1 ZINC000438547813 1122709310 /nfs/dbraw/zinc/70/93/10/1122709310.db2.gz QCYSBFNQMNDAMR-INIZCTEOSA-N 0 1 263.429 3.866 20 0 CHADMN COC(=O)[C@H]1C[C@@H](C)CCN1Cc1cccc2ccccc21 ZINC001193686814 1122709583 /nfs/dbraw/zinc/70/95/83/1122709583.db2.gz NISJUFMFHMESSU-KBXCAEBGSA-N 0 1 297.398 3.613 20 0 CHADMN Cc1ccccc1-c1cccc(CN2CCO[C@H](C)C2)c1 ZINC000506281122 1122710397 /nfs/dbraw/zinc/71/03/97/1122710397.db2.gz QJFBQVLDZBTVTQ-MRXNPFEDSA-N 0 1 281.399 3.883 20 0 CHADMN CC[C@@H](NCc1cccc2c1NCCC2)c1c(C)noc1C ZINC000894360923 1122716159 /nfs/dbraw/zinc/71/61/59/1122716159.db2.gz BHBXAOLXACHZBS-MRXNPFEDSA-N 0 1 299.418 3.890 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN1CCSCC1 ZINC000506327735 1122718446 /nfs/dbraw/zinc/71/84/46/1122718446.db2.gz RUWJFJAVTUUETK-UHFFFAOYSA-N 0 1 255.814 3.506 20 0 CHADMN Cc1cccc2[nH]c(CNCc3cccc4[nH]ccc43)nc21 ZINC000153630750 1129073290 /nfs/dbraw/zinc/07/32/90/1129073290.db2.gz WBDGTLXFYFDQOC-UHFFFAOYSA-N 0 1 290.370 3.642 20 0 CHADMN Cc1ccccc1[C@H](N[C@H]1C[C@H](C)n2ncnc21)C(C)C ZINC000925036084 1122719377 /nfs/dbraw/zinc/71/93/77/1122719377.db2.gz CKRVNQKMSQIEDQ-CWRNSKLLSA-N 0 1 284.407 3.579 20 0 CHADMN Fc1cccc(F)c1-c1ccc(CN2CCSCC2)o1 ZINC000506356946 1122724561 /nfs/dbraw/zinc/72/45/61/1122724561.db2.gz OQQIRTGZGZJUSR-UHFFFAOYSA-N 0 1 295.354 3.774 20 0 CHADMN Cc1ccc(C)c(CN2CCO[C@H](c3ccccc3)C2)c1 ZINC000506353820 1122724615 /nfs/dbraw/zinc/72/46/15/1122724615.db2.gz STQBTGPESRCWDA-IBGZPJMESA-N 0 1 281.399 3.877 20 0 CHADMN Cc1ccc(F)c(CN(C)C[C@H]2CC3(CCC3)CO2)c1 ZINC001193904999 1122728929 /nfs/dbraw/zinc/72/89/29/1122728929.db2.gz DIHYUZQCSCCRFU-OAHLLOKOSA-N 0 1 277.383 3.525 20 0 CHADMN Cc1cc([C@@H](C)NC[C@@H](C)c2ccc(F)cc2F)no1 ZINC000438829214 1122730254 /nfs/dbraw/zinc/73/02/54/1122730254.db2.gz ZHHSTVVHAXIRCN-MWLCHTKSSA-N 0 1 280.318 3.716 20 0 CHADMN C[C@H]1CN(Cc2cccc(C(C)(C)C)c2)C[C@H](C2CC2)O1 ZINC001193976960 1122733557 /nfs/dbraw/zinc/73/35/57/1122733557.db2.gz OHWJMRIMXDWXHR-KBXCAEBGSA-N 0 1 287.447 3.983 20 0 CHADMN CSCc1cnc(CNc2ccc3c(n2)CCC3)s1 ZINC000294775088 1122736334 /nfs/dbraw/zinc/73/63/34/1122736334.db2.gz GHABUDWNENCSLU-UHFFFAOYSA-N 0 1 291.445 3.502 20 0 CHADMN CCn1cc([C@@H](C)NCc2cnc(C(C)(C)C)s2)cn1 ZINC000294999339 1122740254 /nfs/dbraw/zinc/74/02/54/1122740254.db2.gz ZSZIXSPKVQYZBU-LLVKDONJSA-N 0 1 292.452 3.508 20 0 CHADMN CCCN(CC/C=C\c1ccccc1)[C@H](C)C(=O)OCC ZINC001194031526 1122740721 /nfs/dbraw/zinc/74/07/21/1122740721.db2.gz UVMAPZAVRVOCEA-RCBBPTIPSA-N 0 1 289.419 3.754 20 0 CHADMN CCOc1ccc(CNc2nccn2-c2ccccc2)cc1 ZINC000438929345 1122743037 /nfs/dbraw/zinc/74/30/37/1122743037.db2.gz KIDNLWFDVULIBS-UHFFFAOYSA-N 0 1 293.370 3.883 20 0 CHADMN CCCCCCOC(=O)Nc1cnccc1N1CCCC1 ZINC001194166860 1122753672 /nfs/dbraw/zinc/75/36/72/1122753672.db2.gz PFMDTMXNQMZUGX-UHFFFAOYSA-N 0 1 291.395 3.811 20 0 CHADMN Cc1ccnc(CN2CC[C@@H](c3ccccc3)C[C@H]2C)n1 ZINC000439334835 1122770731 /nfs/dbraw/zinc/77/07/31/1122770731.db2.gz YMDCHJFMHKIWCN-NVXWUHKLSA-N 0 1 281.403 3.553 20 0 CHADMN CCCC[C@H](C)N(C)Cc1nc(-c2cccs2)no1 ZINC000518622953 1122772998 /nfs/dbraw/zinc/77/29/98/1122772998.db2.gz LKDCUFKLBHLJBS-NSHDSACASA-N 0 1 279.409 3.809 20 0 CHADMN CSCCCN(C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000439478817 1122782845 /nfs/dbraw/zinc/78/28/45/1122782845.db2.gz OFTDVAWVBDIDDV-SNVBAGLBSA-N 0 1 297.449 3.544 20 0 CHADMN CCCc1csc(CN(C)CC2CCCC2)n1 ZINC000426403833 1122784172 /nfs/dbraw/zinc/78/41/72/1122784172.db2.gz XILRSEUCVBQHHE-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN Cc1ccoc1CN(C)CCOc1ccc(Cl)c(F)c1 ZINC001194626188 1122786436 /nfs/dbraw/zinc/78/64/36/1122786436.db2.gz OGDCRFWPQFWAEK-UHFFFAOYSA-N 0 1 297.757 3.891 20 0 CHADMN CCCc1csc(CN2CC[C@H]2Cc2ccccc2)n1 ZINC000426408274 1122786478 /nfs/dbraw/zinc/78/64/78/1122786478.db2.gz BWZQABSCJDBOLD-INIZCTEOSA-N 0 1 286.444 3.913 20 0 CHADMN CCC(=O)C(C)(C)c1nc2ccc(C(F)F)cc2[nH]1 ZINC001250588029 1122788344 /nfs/dbraw/zinc/78/83/44/1122788344.db2.gz VVVSTSCSZNGGMN-UHFFFAOYSA-N 0 1 266.291 3.757 20 0 CHADMN CCCc1csc(CN2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000426419549 1122790030 /nfs/dbraw/zinc/79/00/30/1122790030.db2.gz LXYYRJYHKBSBHV-NEPJUHHUSA-N 0 1 252.427 3.574 20 0 CHADMN Cc1cc(-c2noc(CC3CC(C)(C)C3)n2)cc2nc[nH]c21 ZINC000426422114 1122791372 /nfs/dbraw/zinc/79/13/72/1122791372.db2.gz UNWPJFLSQQZUBH-UHFFFAOYSA-N 0 1 296.374 3.900 20 0 CHADMN CC(C)CCC[C@H](C)N(CCC(C)C)Cc1ncnn1C ZINC000426448877 1122795185 /nfs/dbraw/zinc/79/51/85/1122795185.db2.gz DZEXJBBHRHCEAZ-INIZCTEOSA-N 0 1 294.487 3.878 20 0 CHADMN CC(C)[C@@H]1CCCCN1Cc1nc(C2CCCC2)no1 ZINC000153885070 1129078487 /nfs/dbraw/zinc/07/84/87/1129078487.db2.gz FXRQLFBNWWDCLQ-AWEZNQCLSA-N 0 1 277.412 3.738 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1cnsc1 ZINC000712914275 1122809993 /nfs/dbraw/zinc/80/99/93/1122809993.db2.gz OIWUQDSFWWJNOK-ZDUSSCGKSA-N 0 1 276.405 3.848 20 0 CHADMN C[C@H]1c2ccsc2CCN1Cc1ccc2c(c1)CCO2 ZINC000506734417 1122817722 /nfs/dbraw/zinc/81/77/22/1122817722.db2.gz IVOPUMFQRPRQEW-LBPRGKRZSA-N 0 1 285.412 3.802 20 0 CHADMN C[C@H](c1cccnc1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000299076156 1122827798 /nfs/dbraw/zinc/82/77/98/1122827798.db2.gz XEHJEXYBHIRROY-OAHLLOKOSA-N 0 1 294.398 3.738 20 0 CHADMN Cc1cc(-c2noc(C3CC4(CC4)C3)n2)cc2nc[nH]c21 ZINC000664794220 1122834253 /nfs/dbraw/zinc/83/42/53/1122834253.db2.gz GLYINFFSPVHWOM-UHFFFAOYSA-N 0 1 280.331 3.579 20 0 CHADMN Cc1ccccc1CCCN1CCn2cccc2[C@H]1C ZINC000440323909 1122836663 /nfs/dbraw/zinc/83/66/63/1122836663.db2.gz GPGLVDLKFFQOGN-MRXNPFEDSA-N 0 1 268.404 3.806 20 0 CHADMN CC[C@@H](COC)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000154034616 1129081670 /nfs/dbraw/zinc/08/16/70/1129081670.db2.gz HZYDGQOYMQNTBY-QWRGUYRKSA-N 0 1 270.442 3.516 20 0 CHADMN Cc1cnc(CCN2CC(C)(C)[C@H]2c2cccnc2)c(C)c1 ZINC000664818861 1122862213 /nfs/dbraw/zinc/86/22/13/1122862213.db2.gz JZEGKEKMIIRDSR-GOSISDBHSA-N 0 1 295.430 3.719 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1nc(C(C)(C)C)co1 ZINC000894498024 1122863126 /nfs/dbraw/zinc/86/31/26/1122863126.db2.gz CXKRXEIZRZYSHE-NWDGAFQWSA-N 0 1 250.386 3.735 20 0 CHADMN C[C@@H]1Cc2cc(CN(Cc3cccnc3)C3CC3)ccc2O1 ZINC000894489705 1122863582 /nfs/dbraw/zinc/86/35/82/1122863582.db2.gz GBAJSXAZJUOQAD-CQSZACIVSA-N 0 1 294.398 3.570 20 0 CHADMN C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2)CC[C@H]1O ZINC001203808328 1122869978 /nfs/dbraw/zinc/86/99/78/1122869978.db2.gz IMWWELXKGVXTDD-IINYFYTJSA-N 0 1 288.218 3.586 20 0 CHADMN C[C@H]1CN(Cc2cn(C)nc2C2CCCC2)CCC1(F)F ZINC000894534952 1122870272 /nfs/dbraw/zinc/87/02/72/1122870272.db2.gz XOUAMRWSMPNHDS-LBPRGKRZSA-N 0 1 297.393 3.555 20 0 CHADMN C=C/C=C/CCN[C@H](Cc1ccccc1)c1ncco1 ZINC001195557746 1122876105 /nfs/dbraw/zinc/87/61/05/1122876105.db2.gz KLNHHOHSDIADCX-QDLOVBKTSA-N 0 1 268.360 3.680 20 0 CHADMN CC1(C)CN(CCOc2ccccc2)[C@H]1c1ccncc1 ZINC000664833137 1122876758 /nfs/dbraw/zinc/87/67/58/1122876758.db2.gz QDHQSJLSKDOHAL-KRWDZBQOSA-N 0 1 282.387 3.544 20 0 CHADMN Cc1cccc(C)c1CN(C)Cc1cnc(C(C)C)nc1 ZINC000440462599 1122882311 /nfs/dbraw/zinc/88/23/11/1122882311.db2.gz NZTQZJGPFBZACT-UHFFFAOYSA-N 0 1 283.419 3.849 20 0 CHADMN C[C@H]1CN(Cc2sccc2NC(=O)OC(C)(C)C)[C@H]1C ZINC000894626983 1122884559 /nfs/dbraw/zinc/88/45/59/1122884559.db2.gz BDGQIZAHUHGSOW-QWRGUYRKSA-N 0 1 296.436 3.935 20 0 CHADMN c1ccc2c(c1)CC[C@H]2CCNCc1nnc(C2CC2)s1 ZINC000894668094 1122888311 /nfs/dbraw/zinc/88/83/11/1122888311.db2.gz PZQCXRGQUFEPCD-ZDUSSCGKSA-N 0 1 299.443 3.625 20 0 CHADMN Fc1ccccc1C[C@@H]1CCCC[N@H+]1C/C=C/Cl ZINC001195874298 1122894974 /nfs/dbraw/zinc/89/49/74/1122894974.db2.gz SIICZYMCFISAKJ-KVEVGEHQSA-N 0 1 267.775 3.975 20 0 CHADMN Fc1ccccc1C[C@@H]1CCCCN1C/C=C/Cl ZINC001195874298 1122894978 /nfs/dbraw/zinc/89/49/78/1122894978.db2.gz SIICZYMCFISAKJ-KVEVGEHQSA-N 0 1 267.775 3.975 20 0 CHADMN Fc1cc(F)cc(CN2CCC(C3CCC3)CC2)c1 ZINC001195947158 1122900145 /nfs/dbraw/zinc/90/01/45/1122900145.db2.gz QYGZIHSTCDLBDZ-UHFFFAOYSA-N 0 1 265.347 3.977 20 0 CHADMN CCc1ccccc1CN(C)Cc1cnc(C(C)C)nc1 ZINC000440474197 1122904836 /nfs/dbraw/zinc/90/48/36/1122904836.db2.gz AXTTXHOCBUFPQO-UHFFFAOYSA-N 0 1 283.419 3.794 20 0 CHADMN c1ccc(CN(Cc2cccc3c2NCCC3)C2CC2)nc1 ZINC000894779920 1122905678 /nfs/dbraw/zinc/90/56/78/1122905678.db2.gz RYXAADHQARRYGJ-UHFFFAOYSA-N 0 1 293.414 3.604 20 0 CHADMN CC(C)=CCC[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC001196127736 1122907374 /nfs/dbraw/zinc/90/73/74/1122907374.db2.gz AAZFNQWRKIDXCB-IBGZPJMESA-N 0 1 299.414 3.843 20 0 CHADMN CC(C)C1(C)CCN(Cc2cn3ccsc3n2)CC1 ZINC000426755162 1122914032 /nfs/dbraw/zinc/91/40/32/1122914032.db2.gz XDKSJAIQNMTUHH-UHFFFAOYSA-N 0 1 277.437 3.654 20 0 CHADMN COC(=O)[C@]1(NC[C@@H]2CCC[C@@H](C)C2)CCCC(C)(C)C1 ZINC001196239193 1122914206 /nfs/dbraw/zinc/91/42/06/1122914206.db2.gz YWFAWYGNEIUDTK-RKVPGOIHSA-N 0 1 295.467 3.914 20 0 CHADMN Cc1cccc2[nH]c(-c3cc(F)c(O)c(F)c3)nc21 ZINC000154395072 1129086767 /nfs/dbraw/zinc/08/67/67/1129086767.db2.gz QXGSZMKWJLXSHD-UHFFFAOYSA-N 0 1 260.243 3.522 20 0 CHADMN O=C(CC1CCCCCC1)Nc1ncc(C(F)(F)F)[nH]1 ZINC000507026157 1122920304 /nfs/dbraw/zinc/92/03/04/1122920304.db2.gz CTWGFKQPTZXGMP-UHFFFAOYSA-N 0 1 289.301 3.728 20 0 CHADMN COCCN(Cc1nc(C(C)(C)C)cs1)CC(C)C ZINC000154376477 1129086838 /nfs/dbraw/zinc/08/68/38/1129086838.db2.gz VOPKEPRFSFRSDD-UHFFFAOYSA-N 0 1 284.469 3.545 20 0 CHADMN Cc1conc1CN1CCC[C@H](C2CCCCC2)C1 ZINC001196409287 1122922247 /nfs/dbraw/zinc/92/22/47/1122922247.db2.gz DYMZOZWKWJDPAL-HNNXBMFYSA-N 0 1 262.397 3.775 20 0 CHADMN CN(Cc1nc(C(C)(C)C)cs1)C[C@H]1CC1(C)C ZINC001196459486 1122923691 /nfs/dbraw/zinc/92/36/91/1122923691.db2.gz USRIKUBXRRFSEO-LLVKDONJSA-N 0 1 266.454 3.919 20 0 CHADMN Fc1cccc([C@H](NCc2ncc[nH]2)C2CCCC2)c1 ZINC000154465457 1129087188 /nfs/dbraw/zinc/08/71/88/1129087188.db2.gz XRVHRQQNYJCLCE-MRXNPFEDSA-N 0 1 273.355 3.570 20 0 CHADMN Cc1nocc1CN(C)Cc1cccc2ccccc21 ZINC000507118763 1122927431 /nfs/dbraw/zinc/92/74/31/1122927431.db2.gz UTJMLOQRBNWNLU-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN CCCCC1CCN(Cc2cc(OC)nc(OC)c2)CC1 ZINC001237556035 1129087319 /nfs/dbraw/zinc/08/73/19/1129087319.db2.gz PDNHVHMWHOXCAH-UHFFFAOYSA-N 0 1 292.423 3.501 20 0 CHADMN COC[C@@]1(C)CN([C@@H](C)c2ccc(C(C)C)cc2)CCO1 ZINC001196622682 1122928756 /nfs/dbraw/zinc/92/87/56/1122928756.db2.gz JYBXDTKQFFHLNP-MAUKXSAKSA-N 0 1 291.435 3.608 20 0 CHADMN Cn1nc(NC2=CC[C@H](C(F)(F)F)CC2)c2cccnc21 ZINC001196766896 1122932186 /nfs/dbraw/zinc/93/21/86/1122932186.db2.gz IAWUANCHUNWMTF-VIFPVBQESA-N 0 1 296.296 3.627 20 0 CHADMN COc1cccc(-c2nc(CN3CC[C@@H](C)C3)cs2)c1 ZINC000507165161 1122932238 /nfs/dbraw/zinc/93/22/38/1122932238.db2.gz NXTKGHHTTUYMRY-GFCCVEGCSA-N 0 1 288.416 3.661 20 0 CHADMN Cc1nocc1C[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000507195770 1122937246 /nfs/dbraw/zinc/93/72/46/1122937246.db2.gz VWVDTVJGIIYWOI-AWEZNQCLSA-N 0 1 258.365 3.793 20 0 CHADMN Cc1nocc1CN(C)[C@@H](C)c1cc(C)ccc1C ZINC000507195770 1122937250 /nfs/dbraw/zinc/93/72/50/1122937250.db2.gz VWVDTVJGIIYWOI-AWEZNQCLSA-N 0 1 258.365 3.793 20 0 CHADMN CO[C@@H]1CC[C@H](C)N(Cc2nc3cc(C)ccc3s2)C1 ZINC001196888517 1122937450 /nfs/dbraw/zinc/93/74/50/1122937450.db2.gz OHXZYYXANGKSOI-QWHCGFSZSA-N 0 1 290.432 3.604 20 0 CHADMN Cc1ccc([C@H](C)[N@@H+](C)Cc2ccnc(C)n2)c(C)c1 ZINC000507190621 1122937448 /nfs/dbraw/zinc/93/74/48/1122937448.db2.gz DXZUTWHQTKAWFO-AWEZNQCLSA-N 0 1 269.392 3.595 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2ccnc(C)n2)c(C)c1 ZINC000507190621 1122937451 /nfs/dbraw/zinc/93/74/51/1122937451.db2.gz DXZUTWHQTKAWFO-AWEZNQCLSA-N 0 1 269.392 3.595 20 0 CHADMN COc1ccccc1C[N@H+]1Cc2ccccc2C[C@H]1C ZINC000353666910 1122937878 /nfs/dbraw/zinc/93/78/78/1122937878.db2.gz ANIROLRADGXFAL-CQSZACIVSA-N 0 1 267.372 3.642 20 0 CHADMN COc1ccc(C[N@@H+](C)[C@@H](C)c2ccco2)cc1C ZINC000507192751 1122938030 /nfs/dbraw/zinc/93/80/30/1122938030.db2.gz MLPLGNZXDJIYSG-ZDUSSCGKSA-N 0 1 259.349 3.790 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2ccco2)cc1C ZINC000507192751 1122938032 /nfs/dbraw/zinc/93/80/32/1122938032.db2.gz MLPLGNZXDJIYSG-ZDUSSCGKSA-N 0 1 259.349 3.790 20 0 CHADMN CCCCc1noc(CN2CC[C@H](c3ccccc3C)C2)n1 ZINC000507208506 1122938679 /nfs/dbraw/zinc/93/86/79/1122938679.db2.gz QUEDEGUPHPFEJG-HNNXBMFYSA-N 0 1 299.418 3.710 20 0 CHADMN CC(C)C[C@@H]1CCC[N@H+]1Cc1c(F)ccc(O)c1F ZINC000507225493 1122939843 /nfs/dbraw/zinc/93/98/43/1122939843.db2.gz DGTVKXJTFOJEIT-NSHDSACASA-N 0 1 269.335 3.681 20 0 CHADMN CC(C)C[C@@H]1CCCN1Cc1c(F)ccc(O)c1F ZINC000507225493 1122939846 /nfs/dbraw/zinc/93/98/46/1122939846.db2.gz DGTVKXJTFOJEIT-NSHDSACASA-N 0 1 269.335 3.681 20 0 CHADMN CC(C)C[C@H]1CCC[N@H+]1Cc1c(F)ccc(O)c1F ZINC000507225491 1122940292 /nfs/dbraw/zinc/94/02/92/1122940292.db2.gz DGTVKXJTFOJEIT-LLVKDONJSA-N 0 1 269.335 3.681 20 0 CHADMN CC(C)C[C@H]1CCCN1Cc1c(F)ccc(O)c1F ZINC000507225491 1122940295 /nfs/dbraw/zinc/94/02/95/1122940295.db2.gz DGTVKXJTFOJEIT-LLVKDONJSA-N 0 1 269.335 3.681 20 0 CHADMN Oc1cc(NC(=S)Nc2ccc(F)cc2)cc(F)c1F ZINC001196940746 1122940420 /nfs/dbraw/zinc/94/04/20/1122940420.db2.gz DWSYIYJRAZKBAY-UHFFFAOYSA-N 0 1 298.289 3.618 20 0 CHADMN CCCCCCC(=O)Nc1ccc(F)c(F)c1O ZINC000837265594 1122943049 /nfs/dbraw/zinc/94/30/49/1122943049.db2.gz IDOKCTKTKWMFJY-UHFFFAOYSA-N 0 1 257.280 3.579 20 0 CHADMN CCCN(Cc1nc2ccccc2n1CCC)C1CC1 ZINC000507254488 1122943626 /nfs/dbraw/zinc/94/36/26/1122943626.db2.gz WABQPXXJHQYUIR-UHFFFAOYSA-N 0 1 271.408 3.821 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000427209037 1122952035 /nfs/dbraw/zinc/95/20/35/1122952035.db2.gz LDZGYPLOHPWKIL-BBRMVZONSA-N 0 1 299.418 3.912 20 0 CHADMN Cc1cc(C)c(-c2nc3ccc(Cl)cc3[nH]2)cn1 ZINC001251244358 1122956110 /nfs/dbraw/zinc/95/61/10/1122956110.db2.gz AAQCOIXSOXLCDG-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccccc1N(C)C ZINC000507462267 1122956923 /nfs/dbraw/zinc/95/69/23/1122956923.db2.gz OOFHAMRXOIILHZ-AWEZNQCLSA-N 0 1 283.419 3.561 20 0 CHADMN c1nc2c([nH]1)C1(CCC1)N(CCCCc1ccccc1)CC2 ZINC001197438345 1122957138 /nfs/dbraw/zinc/95/71/38/1122957138.db2.gz BWZNTDORVOCMOP-UHFFFAOYSA-N 0 1 295.430 3.670 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccc(C)cc1 ZINC000507473597 1122957917 /nfs/dbraw/zinc/95/79/17/1122957917.db2.gz VMRHGNZHCKHWGZ-CQSZACIVSA-N 0 1 254.377 3.803 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000507472107 1122957925 /nfs/dbraw/zinc/95/79/25/1122957925.db2.gz QJXANRDIRRAKGH-STQMWFEESA-N 0 1 298.386 3.785 20 0 CHADMN FC(F)[C@@H]1CN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CCO1 ZINC001197573734 1122959117 /nfs/dbraw/zinc/95/91/17/1122959117.db2.gz NFQFBORNSOMMFM-BMFZPTHFSA-N 0 1 295.373 3.536 20 0 CHADMN Clc1ccccc1CCCN1CCn2cccc2C1 ZINC001197622517 1122961080 /nfs/dbraw/zinc/96/10/80/1122961080.db2.gz YWPXETFAHLWRDH-UHFFFAOYSA-N 0 1 274.795 3.590 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ncccc2CC)cc1 ZINC000507508789 1122961770 /nfs/dbraw/zinc/96/17/70/1122961770.db2.gz JWXCQLONTNLYIN-AWEZNQCLSA-N 0 1 284.403 3.894 20 0 CHADMN CCc1cccnc1[C@H](C)NC1(c2ccc(OC)cc2)CC1 ZINC000507520341 1122963490 /nfs/dbraw/zinc/96/34/90/1122963490.db2.gz PLOIQJVPLPTDPA-AWEZNQCLSA-N 0 1 296.414 3.993 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1ccncc1F ZINC000334182823 1122969217 /nfs/dbraw/zinc/96/92/17/1122969217.db2.gz FIKFDSPSQNFFDB-PXAZEXFGSA-N 0 1 270.351 3.867 20 0 CHADMN COc1cc2c(cc1O)CCN(Cc1cc(C)ccc1C)C2 ZINC001197837626 1122969479 /nfs/dbraw/zinc/96/94/79/1122969479.db2.gz ZPFCACAXTRWNCZ-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN C[C@H](N[C@H]1CCc2c1cccc2F)c1ccncc1F ZINC000334228648 1122973622 /nfs/dbraw/zinc/97/36/22/1122973622.db2.gz OQUOIKZIPOFQLF-QFYYESIMSA-N 0 1 274.314 3.698 20 0 CHADMN CC[C@H](F)CN1CCC(F)(c2ccccc2)CC1 ZINC000440506036 1122977460 /nfs/dbraw/zinc/97/74/60/1122977460.db2.gz PYZGFQVSJPEHRZ-AWEZNQCLSA-N 0 1 253.336 3.695 20 0 CHADMN Fc1cccc(Br)c1CNC1(C2CC2)CC1 ZINC000309555995 1129090707 /nfs/dbraw/zinc/09/07/07/1129090707.db2.gz HQMOMXCTNULUBU-UHFFFAOYSA-N 0 1 284.172 3.620 20 0 CHADMN CN(Cc1nccn1C1CC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000894854277 1122981416 /nfs/dbraw/zinc/98/14/16/1122981416.db2.gz GPJBMESUSFIFNJ-MSOLQXFVSA-N 0 1 295.430 3.986 20 0 CHADMN CC(C)c1cccc(CN2CCC[C@H]2c2ccnn2C)c1 ZINC001198156623 1122982491 /nfs/dbraw/zinc/98/24/91/1122982491.db2.gz IHRJLBZLDYRXLS-SFHVURJKSA-N 0 1 283.419 3.881 20 0 CHADMN Cc1ccc([C@@]2(C)C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001203314974 1122984090 /nfs/dbraw/zinc/98/40/90/1122984090.db2.gz XXBHFQILMKMJBH-LJQANCHMSA-N 0 1 281.399 3.743 20 0 CHADMN Cc1ccc([C@@]2(C)CN(Cc3ccccc3)CCO2)cc1 ZINC001203314974 1122984094 /nfs/dbraw/zinc/98/40/94/1122984094.db2.gz XXBHFQILMKMJBH-LJQANCHMSA-N 0 1 281.399 3.743 20 0 CHADMN CC[C@@H]1CCCC[C@H]1NCc1noc(-c2ccsc2)n1 ZINC000163232701 1129091246 /nfs/dbraw/zinc/09/12/46/1129091246.db2.gz VBPSGJTUGLOCKP-DGCLKSJQSA-N 0 1 291.420 3.857 20 0 CHADMN CCn1nccc1CN1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000507697351 1122987754 /nfs/dbraw/zinc/98/77/54/1122987754.db2.gz JFCYAOXPYJUUKJ-UHFFFAOYSA-N 0 1 295.430 3.809 20 0 CHADMN CCC[C@H]1CCCN1Cc1ccnc(Br)c1 ZINC001198428838 1122991446 /nfs/dbraw/zinc/99/14/46/1122991446.db2.gz JRLIGMRGEVCXIH-LBPRGKRZSA-N 0 1 283.213 3.609 20 0 CHADMN Cc1coc(CN[C@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000894857817 1122992192 /nfs/dbraw/zinc/99/21/92/1122992192.db2.gz QGHJDWDFLQCDJN-QGZVFWFLSA-N 0 1 285.387 3.582 20 0 CHADMN CN(Cc1ccc(Br)cc1)C1CC(F)(F)C1 ZINC001203907276 1122993421 /nfs/dbraw/zinc/99/34/21/1122993421.db2.gz SDXXSJIIRRTBJY-UHFFFAOYSA-N 0 1 290.151 3.679 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCCN1C[C@@H]1CC1(Cl)Cl ZINC000775866307 1122996459 /nfs/dbraw/zinc/99/64/59/1122996459.db2.gz FLXAUCHWOXRMDJ-HRDYMLBCSA-N 0 1 290.156 3.843 20 0 CHADMN Cc1cnc([C@H](C)N2CCC(c3ccc(O)cc3)CC2)o1 ZINC000334366100 1122998193 /nfs/dbraw/zinc/99/81/93/1122998193.db2.gz PDSLWIYVCSTJTQ-ZDUSSCGKSA-N 0 1 286.375 3.629 20 0 CHADMN Cc1cnc(C(=O)N(c2ccccc2)[C@H](C)C2CC2)c(O)c1 ZINC000633846307 1129092226 /nfs/dbraw/zinc/09/22/26/1129092226.db2.gz XJHRTYCZWRGREJ-CYBMUJFWSA-N 0 1 296.370 3.541 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ncccc2C)cc1Cl ZINC001198641635 1123003499 /nfs/dbraw/zinc/00/34/99/1123003499.db2.gz SYVSJNNRISFKIW-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1cccnc1[C@@H](C)NCc1ccc(F)c2cccnc12 ZINC001198640905 1123003748 /nfs/dbraw/zinc/00/37/48/1123003748.db2.gz KAEBTVOUYRPGBJ-CYBMUJFWSA-N 0 1 295.361 3.928 20 0 CHADMN Cc1nn(C)c(C)c1CN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000154811668 1129092708 /nfs/dbraw/zinc/09/27/08/1129092708.db2.gz FJLXORMFSGEUQX-AWEZNQCLSA-N 0 1 297.402 3.976 20 0 CHADMN CCOc1ccc(CN[C@@H](CC)c2ccccc2)nc1 ZINC000664933564 1123005816 /nfs/dbraw/zinc/00/58/16/1123005816.db2.gz IXJOUVDVRPPEHH-KRWDZBQOSA-N 0 1 270.376 3.721 20 0 CHADMN CC[C@H](F)CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000440519452 1123009495 /nfs/dbraw/zinc/00/94/95/1123009495.db2.gz MIDWWNSFFVUVCB-VHSXEESVSA-N 0 1 255.299 3.645 20 0 CHADMN CCc1ccc2c(c1)CCN([C@H](C)c1ccncc1)C2 ZINC001198820133 1123012507 /nfs/dbraw/zinc/01/25/07/1123012507.db2.gz ISUJLGAQBWTCEL-CQSZACIVSA-N 0 1 266.388 3.763 20 0 CHADMN Cc1nc(C)c(CN2CCc3cc(C(C)C)ccc3C2)o1 ZINC001198844303 1123012622 /nfs/dbraw/zinc/01/26/22/1123012622.db2.gz KNMXHTIREDLJNB-UHFFFAOYSA-N 0 1 284.403 3.973 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@@H]3C)n[nH]2)cc1C ZINC000440534197 1123013282 /nfs/dbraw/zinc/01/32/82/1123013282.db2.gz SSZDSUKDQBNHTE-FZMZJTMJSA-N 0 1 297.402 3.564 20 0 CHADMN CCc1cccc2cc(CNCc3cccnc3)oc21 ZINC001198970097 1123017864 /nfs/dbraw/zinc/01/78/64/1123017864.db2.gz UHNZJNBUISVEQR-UHFFFAOYSA-N 0 1 266.344 3.680 20 0 CHADMN Clc1ccccc1N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001203319526 1123024536 /nfs/dbraw/zinc/02/45/36/1123024536.db2.gz ZOQRILZPNDNKCV-HOTGVXAUSA-N 0 1 298.817 3.803 20 0 CHADMN Cc1cccc([C@@H](O)CNCc2c(F)cccc2Cl)c1 ZINC000136479151 1123034108 /nfs/dbraw/zinc/03/41/08/1123034108.db2.gz JQZNFCGWBMRHBK-INIZCTEOSA-N 0 1 293.769 3.611 20 0 CHADMN CCC[N@@H+](CC)CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000519903525 1123037460 /nfs/dbraw/zinc/03/74/60/1123037460.db2.gz JZLBAMYEYDTTMD-HNNXBMFYSA-N 0 1 298.430 3.749 20 0 CHADMN Clc1cccc(C2(CNCc3ccon3)CCCC2)c1 ZINC001199742781 1123038486 /nfs/dbraw/zinc/03/84/86/1123038486.db2.gz MASAQLMXJMSEII-UHFFFAOYSA-N 0 1 290.794 3.930 20 0 CHADMN FC(F)(F)c1cc(CN[C@H]2CCCc3ccccc32)[nH]n1 ZINC000440798299 1123038536 /nfs/dbraw/zinc/03/85/36/1123038536.db2.gz HEDJCHQUBUWUGU-ZDUSSCGKSA-N 0 1 295.308 3.596 20 0 CHADMN COc1ccc(CN(Cc2ccc(C)cn2)C2CC2)cc1 ZINC000154989624 1129094875 /nfs/dbraw/zinc/09/48/75/1129094875.db2.gz ZBSOJPWJRZJGOB-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN CC[C@H](F)CN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000440785979 1123039974 /nfs/dbraw/zinc/03/99/74/1123039974.db2.gz MCFLTTPVLTUSCV-OLZOCXBDSA-N 0 1 296.455 3.949 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cn3cccc(F)c3n2)s1 ZINC001199770202 1123040315 /nfs/dbraw/zinc/04/03/15/1123040315.db2.gz XJSZRSMFFJCUJB-LLVKDONJSA-N 0 1 289.379 3.694 20 0 CHADMN CC(C)C[C@H]1CCCCN1C(=O)c1c(O)cccc1F ZINC000188068877 1123042249 /nfs/dbraw/zinc/04/22/49/1123042249.db2.gz SJYKMAMUDNFUIX-GFCCVEGCSA-N 0 1 279.355 3.572 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2nccnc2C)cc1F ZINC000188136415 1123047948 /nfs/dbraw/zinc/04/79/48/1123047948.db2.gz LZEIVEWAMRDKBM-YPMHNXCESA-N 0 1 273.355 3.644 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1cccnc1Cl ZINC000105414936 1123051049 /nfs/dbraw/zinc/05/10/49/1123051049.db2.gz YKRDGINNUIHNFX-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN CC(C)c1noc(CN2C[C@H](c3ccccc3)C(C)(C)C2)n1 ZINC000441081380 1123055184 /nfs/dbraw/zinc/05/51/84/1123055184.db2.gz VEECZJYFQQWCME-OAHLLOKOSA-N 0 1 299.418 3.819 20 0 CHADMN CCc1nnc([C@@H](C)N2C[C@@H](c3ccccc3)C(C)(C)C2)o1 ZINC000441076176 1123055207 /nfs/dbraw/zinc/05/52/07/1123055207.db2.gz XQNWYPVLDYQDOC-HIFRSBDPSA-N 0 1 299.418 3.819 20 0 CHADMN CSC[C@H](C)N[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000925096491 1123055365 /nfs/dbraw/zinc/05/53/65/1123055365.db2.gz OBAZXUDENHURRU-WMLDXEAASA-N 0 1 286.444 3.821 20 0 CHADMN CCc1ccc2nc(-c3ccc(NC(C)=O)cc3)[nH]c2c1 ZINC000155064217 1129096155 /nfs/dbraw/zinc/09/61/55/1129096155.db2.gz QMTBQXJDGSSOFO-UHFFFAOYSA-N 0 1 279.343 3.751 20 0 CHADMN Fc1cccc(F)c1CNCCc1ccc2ccccc2n1 ZINC000520221527 1123064986 /nfs/dbraw/zinc/06/49/86/1123064986.db2.gz DEOARYWPYIAXLY-UHFFFAOYSA-N 0 1 298.336 3.845 20 0 CHADMN c1ccc2cc(CCN3CCOCC34CCC4)ccc2c1 ZINC000441185291 1123066522 /nfs/dbraw/zinc/06/65/22/1123066522.db2.gz ZJCQGOYBEJAFOQ-UHFFFAOYSA-N 0 1 281.399 3.637 20 0 CHADMN CSc1ccc(OCCN(C)Cc2ccoc2C)cc1 ZINC000441219882 1123067445 /nfs/dbraw/zinc/06/74/45/1123067445.db2.gz RKYXHFZJJSLODJ-UHFFFAOYSA-N 0 1 291.416 3.821 20 0 CHADMN C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441236877 1123069112 /nfs/dbraw/zinc/06/91/12/1123069112.db2.gz RCRBKBUMVUWTEM-MGPQQGTHSA-N 0 1 295.373 3.774 20 0 CHADMN COc1ccc(NCc2cnc[nH]2)cc1Cc1ccccc1 ZINC001201069777 1123071085 /nfs/dbraw/zinc/07/10/85/1123071085.db2.gz LMKSDFBLXDOAEU-UHFFFAOYSA-N 0 1 293.370 3.621 20 0 CHADMN CCCN(Cc1c(F)cccc1Cl)CC1(C)COC1 ZINC000441279219 1123074125 /nfs/dbraw/zinc/07/41/25/1123074125.db2.gz PBCZNYWLGAUPKE-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN Cc1nc(CSc2nc3ccc(Cl)cc3[nH]2)co1 ZINC000520326431 1123076202 /nfs/dbraw/zinc/07/62/02/1123076202.db2.gz WMZPUWNCFXTEBH-UHFFFAOYSA-N 0 1 279.752 3.805 20 0 CHADMN Cc1cccc2nc(NC(=O)c3cccc4cc[nH]c43)[nH]c21 ZINC001201310234 1123085861 /nfs/dbraw/zinc/08/58/61/1123085861.db2.gz PMPAPWCEOZKNQH-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN Cc1ccc(Br)nc1N=C1CCSCC1 ZINC001201334356 1123089296 /nfs/dbraw/zinc/08/92/96/1123089296.db2.gz UQMATINXXRIMJQ-UHFFFAOYSA-N 0 1 285.210 3.585 20 0 CHADMN COc1cc([C@@H](C)NCc2cc(C)n[nH]2)cc2ccccc21 ZINC000925101612 1123089688 /nfs/dbraw/zinc/08/96/88/1123089688.db2.gz FEMWXPPXEKXCQV-CYBMUJFWSA-N 0 1 295.386 3.731 20 0 CHADMN CCCOc1ncccc1CN[C@H](C)c1ccc(F)cc1 ZINC000112536471 1123090393 /nfs/dbraw/zinc/09/03/93/1123090393.db2.gz CZDUJSMGSLWVIJ-CYBMUJFWSA-N 0 1 288.366 3.860 20 0 CHADMN CSc1ccc([C@@H](C)N[C@@H](C)c2cncnc2C)cc1 ZINC000520428055 1123090805 /nfs/dbraw/zinc/09/08/05/1123090805.db2.gz JMMAWEGXIYXYJO-YPMHNXCESA-N 0 1 287.432 3.919 20 0 CHADMN Oc1cccc(CN(Cc2ccc(F)cc2)C2CC2)c1 ZINC000112599597 1123091548 /nfs/dbraw/zinc/09/15/48/1123091548.db2.gz CQLWUGDXBHMMAU-UHFFFAOYSA-N 0 1 271.335 3.696 20 0 CHADMN COCCCNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000122849471 1123092625 /nfs/dbraw/zinc/09/26/25/1123092625.db2.gz KXTVQYVYQQAESE-UHFFFAOYSA-N 0 1 284.281 3.702 20 0 CHADMN c1ccc(CN(Cc2ccccn2)C[C@H]2CC=CCC2)nc1 ZINC001201407928 1123093854 /nfs/dbraw/zinc/09/38/54/1123093854.db2.gz XKGGWFFRJIQYNC-KRWDZBQOSA-N 0 1 293.414 3.835 20 0 CHADMN Cc1ccc([O-])c(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)n1 ZINC000112716517 1123094967 /nfs/dbraw/zinc/09/49/67/1123094967.db2.gz ZPXVZPPDWQNVMP-KBPBESRZSA-N 0 1 276.424 3.790 20 0 CHADMN COC[C@H]1CCCN([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000112987753 1123099783 /nfs/dbraw/zinc/09/97/83/1123099783.db2.gz OEGMGSGGJNGUEB-NEPJUHHUSA-N 0 1 285.790 3.899 20 0 CHADMN CC1(C)c2ccccc2CCN1Cc1cnc(C2CC2)o1 ZINC000895016298 1123100912 /nfs/dbraw/zinc/10/09/12/1123100912.db2.gz LCPCPBBMCFUVRR-UHFFFAOYSA-N 0 1 282.387 3.845 20 0 CHADMN C[C@H](N[C@@H]1CSc2ccccc21)c1ccncc1 ZINC000123632517 1123102148 /nfs/dbraw/zinc/10/21/48/1123102148.db2.gz ZWQJZGCCCGNIMW-SMDDNHRTSA-N 0 1 256.374 3.579 20 0 CHADMN CC(C)(C)CN1CCO[C@@](C)(c2ccc(Cl)cc2)C1 ZINC001201443930 1123105504 /nfs/dbraw/zinc/10/55/04/1123105504.db2.gz YHUDWJXREWESDJ-MRXNPFEDSA-N 0 1 281.827 3.934 20 0 CHADMN COCc1noc2c1CN(C[C@@H](C)CCC=C(C)C)CC2 ZINC001201485687 1123107024 /nfs/dbraw/zinc/10/70/24/1123107024.db2.gz BSPUGILLOYBMGL-AWEZNQCLSA-N 0 1 292.423 3.562 20 0 CHADMN CC(C)=CCC[C@H](C)CN1CC2(C1)CCCCO2 ZINC001201488501 1123107493 /nfs/dbraw/zinc/10/74/93/1123107493.db2.gz YJRNOPFMNKGRAK-HNNXBMFYSA-N 0 1 251.414 3.624 20 0 CHADMN CC(C)Nc1ccc(Nc2ccnn2-c2ccncc2)cc1 ZINC001201490684 1123109347 /nfs/dbraw/zinc/10/93/47/1123109347.db2.gz JJXQELFQTDJBHH-UHFFFAOYSA-N 0 1 293.374 3.831 20 0 CHADMN CCC[C@@H](C)CN(Cc1ccccn1)Cc1ccccn1 ZINC001201539072 1123116231 /nfs/dbraw/zinc/11/62/31/1123116231.db2.gz OZCPYGBOLLZOGF-MRXNPFEDSA-N 0 1 283.419 3.915 20 0 CHADMN CCC[C@H](C)CN(Cc1cccnc1)Cc1cccnc1 ZINC001201551130 1123119164 /nfs/dbraw/zinc/11/91/64/1123119164.db2.gz PXQHKIHHHCOXES-INIZCTEOSA-N 0 1 283.419 3.915 20 0 CHADMN C[C@@H](CC(F)(F)F)NCc1ccsc1Cl ZINC000336761163 1123119377 /nfs/dbraw/zinc/11/93/77/1123119377.db2.gz MYQDEOWUPKVKOO-LURJTMIESA-N 0 1 257.708 3.832 20 0 CHADMN CCCCC[N@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000441435511 1123123775 /nfs/dbraw/zinc/12/37/75/1123123775.db2.gz CIOSKCHOYGAHQS-RDJZCZTQSA-N 0 1 261.409 3.947 20 0 CHADMN COc1cc(C)cc(CNCc2cccc(F)c2F)c1 ZINC001201601600 1123130661 /nfs/dbraw/zinc/13/06/61/1123130661.db2.gz ZRYUQAGUNSJUGM-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN Cc1ccccc1[C@@H]1CN([C@@H]2C=CCCC2)[C@H](C)CO1 ZINC000441466407 1123138751 /nfs/dbraw/zinc/13/87/51/1123138751.db2.gz CGFRXLIDKCYNQO-NUJGCVRESA-N 0 1 271.404 3.866 20 0 CHADMN Cc1ccccc1[C@@H]1CN([C@H]2C=CCCC2)[C@@H](C)CO1 ZINC000441466404 1123139233 /nfs/dbraw/zinc/13/92/33/1123139233.db2.gz CGFRXLIDKCYNQO-BQFCYCMXSA-N 0 1 271.404 3.866 20 0 CHADMN CCCCN(Cc1cc(C)no1)Cc1ccccc1 ZINC001201717615 1123139919 /nfs/dbraw/zinc/13/99/19/1123139919.db2.gz VXFJJRGJUQCJPK-UHFFFAOYSA-N 0 1 258.365 3.785 20 0 CHADMN CC[C@H](CC(=O)NCc1nc2cccc(C)c2[nH]1)C(C)C ZINC000155266310 1129101432 /nfs/dbraw/zinc/10/14/32/1129101432.db2.gz DJLMKYKTLQTORH-CYBMUJFWSA-N 0 1 287.407 3.560 20 0 CHADMN CCCCCCN1CCc2sc(C(=O)OCC)cc2C1 ZINC001201754854 1123146382 /nfs/dbraw/zinc/14/63/82/1123146382.db2.gz JTCKFJLPNHTQGN-UHFFFAOYSA-N 0 1 295.448 3.863 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN1CCn2c(C)ncc2C1 ZINC001201970972 1123165002 /nfs/dbraw/zinc/16/50/02/1123165002.db2.gz CBMCLMFIRRSDBY-OAHLLOKOSA-N 0 1 275.440 3.780 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000181553980 1123165803 /nfs/dbraw/zinc/16/58/03/1123165803.db2.gz FSCQECKPEYEPKZ-INIZCTEOSA-N 0 1 275.392 3.511 20 0 CHADMN CCC(C)(C)[C@@H]1CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000441555025 1123171501 /nfs/dbraw/zinc/17/15/01/1123171501.db2.gz GNGPLEBVLUMQAJ-HNNXBMFYSA-N 0 1 285.391 3.604 20 0 CHADMN CC(C)(C)c1cnc(NC(=O)c2cccc(F)c2O)s1 ZINC001126511515 1123175720 /nfs/dbraw/zinc/17/57/20/1123175720.db2.gz CNHWZKUGUTWEQG-UHFFFAOYSA-N 0 1 294.351 3.538 20 0 CHADMN NC1(c2noc([C@@H](c3ccccc3)C3CC3)n2)CCCCC1 ZINC000520566371 1123175751 /nfs/dbraw/zinc/17/57/51/1123175751.db2.gz UWXSUUBSRZQHOG-HNNXBMFYSA-N 0 1 297.402 3.730 20 0 CHADMN Cc1cc(C)c(CNCc2ccc(Cl)cn2)c(C)c1 ZINC000776255390 1123188549 /nfs/dbraw/zinc/18/85/49/1123188549.db2.gz VWSUENDXDCQKPR-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CC[C@H]1c1ccccc1 ZINC000053080484 1123193027 /nfs/dbraw/zinc/19/30/27/1123193027.db2.gz HQKULZHMVFEBRL-AWEZNQCLSA-N 0 1 287.746 3.633 20 0 CHADMN Fc1cccc(CN2CCC(c3cn[nH]c3)CC2)c1Cl ZINC000338950539 1123203724 /nfs/dbraw/zinc/20/37/24/1123203724.db2.gz ZUCILTZJOKRWLF-UHFFFAOYSA-N 0 1 293.773 3.582 20 0 CHADMN C[C@@H](NCc1cc(Cl)sc1Cl)[C@@H]1CCCO1 ZINC000336782335 1123211722 /nfs/dbraw/zinc/21/17/22/1123211722.db2.gz XIIOXFYXSRYTCE-APPZFPTMSA-N 0 1 280.220 3.712 20 0 CHADMN Cc1[nH]ncc1CNc1cc(C)cc2ccccc21 ZINC001202467366 1123211912 /nfs/dbraw/zinc/21/19/12/1123211912.db2.gz YVNVMYGBVZGMDQ-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN CC(C)(C)[C@@H]1CCCC[C@@H]1NCc1nc(C2CC2)no1 ZINC000097324273 1123212106 /nfs/dbraw/zinc/21/21/06/1123212106.db2.gz LQIYSYWNYGPKER-OLZOCXBDSA-N 0 1 277.412 3.642 20 0 CHADMN Cc1noc([C@@H](C)[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)n1 ZINC000665174537 1123218605 /nfs/dbraw/zinc/21/86/05/1123218605.db2.gz UXROIJYPLQFXAD-CJNGLKHVSA-N 0 1 297.402 3.709 20 0 CHADMN CCCCc1nc2ccc(NC(=O)C3=COCCC3)cc2[nH]1 ZINC000107461832 1123222438 /nfs/dbraw/zinc/22/24/38/1123222438.db2.gz OWTQOPHQVZLMJB-UHFFFAOYSA-N 0 1 299.374 3.538 20 0 CHADMN CCCN(CCC)c1ccc(NCc2cnccn2)cc1 ZINC000107797107 1123228117 /nfs/dbraw/zinc/22/81/17/1123228117.db2.gz WDHFYLGRKHDHQW-UHFFFAOYSA-N 0 1 284.407 3.715 20 0 CHADMN c1c(CN[C@H](c2ccccc2)C2CC2)onc1C1CC1 ZINC000660209170 1129107637 /nfs/dbraw/zinc/10/76/37/1129107637.db2.gz WRMQJZPIWSMRKF-QGZVFWFLSA-N 0 1 268.360 3.793 20 0 CHADMN C[C@@H](CC1CCCCC1)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000508013933 1123254859 /nfs/dbraw/zinc/25/48/59/1123254859.db2.gz FYGOZLJVUFGEMY-NSHDSACASA-N 0 1 286.379 3.503 20 0 CHADMN Cc1cc(Cl)cc(CN[C@@H]2C[C@H](O)c3ccccc32)c1 ZINC000850373617 1123259116 /nfs/dbraw/zinc/25/91/16/1123259116.db2.gz ICUNHEWVHXVCHY-SJORKVTESA-N 0 1 287.790 3.916 20 0 CHADMN c1nc(N[C@H]2CCCSCC2)cc2c1CCCC2 ZINC000850470899 1123271690 /nfs/dbraw/zinc/27/16/90/1123271690.db2.gz KXXMAVNNXCZBRC-AWEZNQCLSA-N 0 1 262.422 3.658 20 0 CHADMN CN(C)Cc1cc(N[C@H]2COC3(CCC3)C2)ccc1Cl ZINC000850466112 1123271895 /nfs/dbraw/zinc/27/18/95/1123271895.db2.gz IPRJQLKIEDLHBM-CQSZACIVSA-N 0 1 294.826 3.525 20 0 CHADMN Cc1cnc([C@@H](C)N=c2ccc3ccc(Cl)cc3[nH]2)o1 ZINC000428156228 1123277580 /nfs/dbraw/zinc/27/75/80/1123277580.db2.gz FUFCASRKRIJSMR-SNVBAGLBSA-N 0 1 287.750 3.780 20 0 CHADMN C[C@H](CSC(C)(C)C)N[C@@H](C)c1cscn1 ZINC000850511512 1123278342 /nfs/dbraw/zinc/27/83/42/1123278342.db2.gz GWHLJESBTOFMJB-ZJUUUORDSA-N 0 1 258.456 3.714 20 0 CHADMN CCCc1nc(C)c(CN(C)[C@@H]2C[C@H](OCC)C2(C)C)o1 ZINC000428224234 1123280692 /nfs/dbraw/zinc/28/06/92/1123280692.db2.gz ZESOPPXBWRIQKI-CABCVRRESA-N 0 1 294.439 3.571 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1ccnc(Cl)c1 ZINC000850526981 1123282330 /nfs/dbraw/zinc/28/23/30/1123282330.db2.gz DJXCQZXCRXTZGI-NZVBXONLSA-N 0 1 288.778 3.564 20 0 CHADMN C[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1ccsc1 ZINC000850528889 1123282680 /nfs/dbraw/zinc/28/26/80/1123282680.db2.gz MGMWVNAOKYFNSZ-LKTVYLICSA-N 0 1 259.374 3.577 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2C[C@H](O)c3ccccc32)c(C)o1 ZINC000850528628 1123282861 /nfs/dbraw/zinc/28/28/61/1123282861.db2.gz MFWGJFWKPCLJEG-GOPGUHFVSA-N 0 1 271.360 3.725 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1ccc(Cl)nc1 ZINC000850528811 1123282935 /nfs/dbraw/zinc/28/29/35/1123282935.db2.gz NGFBOPUBOAVWNT-NZVBXONLSA-N 0 1 288.778 3.564 20 0 CHADMN CCCc1nc(C)c(CNC(C)(C)c2ccccc2)o1 ZINC000428222619 1123283582 /nfs/dbraw/zinc/28/35/82/1123283582.db2.gz NSNISYCADRXIHJ-UHFFFAOYSA-N 0 1 272.392 3.960 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@H]1C[C@@H](O)c2ccccc21 ZINC000850529248 1123284432 /nfs/dbraw/zinc/28/44/32/1123284432.db2.gz PAFPFFBUPHYBPQ-DOPJRALCSA-N 0 1 297.398 3.833 20 0 CHADMN C[C@H](NCC1=CCCC1)c1nc(Br)cs1 ZINC000850556307 1123290762 /nfs/dbraw/zinc/29/07/62/1123290762.db2.gz GABYXAFFJWBQTK-QMMMGPOBSA-N 0 1 287.226 3.667 20 0 CHADMN CCc1ccccc1CN[C@@H](C)c1cc(OC)ccn1 ZINC000925115951 1123292093 /nfs/dbraw/zinc/29/20/93/1123292093.db2.gz UVFGACCXLSYJKJ-ZDUSSCGKSA-N 0 1 270.376 3.503 20 0 CHADMN CC[C@H](N[C@H](C)c1nccn1C)c1ccc2c(c1)CCCO2 ZINC000850573204 1123295242 /nfs/dbraw/zinc/29/52/42/1123295242.db2.gz WOLCUZAIAVMLBX-CJNGLKHVSA-N 0 1 299.418 3.547 20 0 CHADMN C[C@@H](O)[C@H](N[C@@H](C)c1ccnc(Cl)c1)c1ccccc1 ZINC000850583971 1123296569 /nfs/dbraw/zinc/29/65/69/1123296569.db2.gz PAGOWHUZCGRCBZ-OZVIIMIRSA-N 0 1 290.794 3.508 20 0 CHADMN C[C@H](N[C@@H]1CCc2cc(N)ccc21)c1ccc(Cl)cn1 ZINC000665271112 1123296991 /nfs/dbraw/zinc/29/69/91/1123296991.db2.gz HDTPVRHNECVBSY-MGPLVRAMSA-N 0 1 287.794 3.655 20 0 CHADMN C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000074353278 1123300756 /nfs/dbraw/zinc/30/07/56/1123300756.db2.gz RHJZVNGZDDMFGM-GUYCJALGSA-N 0 1 295.386 3.744 20 0 CHADMN Cc1cc(CN2CCCCC[C@H]2c2ccccc2)nn1C ZINC000487415424 1123308344 /nfs/dbraw/zinc/30/83/44/1123308344.db2.gz RZVJFGNEWQYHHH-SFHVURJKSA-N 0 1 283.419 3.846 20 0 CHADMN COC[C@@H](N[C@@H](C)c1c[nH]c2ncccc12)c1ccc(C)o1 ZINC000156443441 1129113066 /nfs/dbraw/zinc/11/30/66/1129113066.db2.gz APTOQUPBYRHRPA-SWLSCSKDSA-N 0 1 299.374 3.503 20 0 CHADMN Cc1ncsc1CN1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000335165218 1123315466 /nfs/dbraw/zinc/31/54/66/1123315466.db2.gz QJFBPGOOVQPZFV-ZJUUUORDSA-N 0 1 278.343 3.614 20 0 CHADMN CC1(C)C[C@H](Sc2nc(-c3ccccc3)n[nH]2)CCO1 ZINC000335194499 1123320995 /nfs/dbraw/zinc/32/09/95/1123320995.db2.gz SLPHCTYOJPSKSG-GFCCVEGCSA-N 0 1 289.404 3.521 20 0 CHADMN C/C=C/c1ccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000335203842 1123321876 /nfs/dbraw/zinc/32/18/76/1123321876.db2.gz HGHGFALRTLOUJD-KWEXDPCDSA-N 0 1 281.359 3.501 20 0 CHADMN Cc1nc(CN2CCCCC[C@@H]2/C=C/c2ccccc2)n[nH]1 ZINC000428253400 1123326748 /nfs/dbraw/zinc/32/67/48/1123326748.db2.gz QJBBLKOQSCTFFM-FMQWLBJXSA-N 0 1 296.418 3.571 20 0 CHADMN Clc1ccc(CN2CCC[C@H](c3ccncc3)C2)nc1 ZINC000335238075 1123326851 /nfs/dbraw/zinc/32/68/51/1123326851.db2.gz PGFZVIURRCAYDV-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1nc(CN2CCC[C@@H](c3ccncc3)C2)c(C)s1 ZINC000335237928 1123326902 /nfs/dbraw/zinc/32/69/02/1123326902.db2.gz MMYVEWWDPJWFSB-OAHLLOKOSA-N 0 1 287.432 3.535 20 0 CHADMN C[C@@H](C(=O)Nc1cc(F)cc(Cl)c1O)c1ccsc1 ZINC000353897811 1123332814 /nfs/dbraw/zinc/33/28/14/1123332814.db2.gz RFVQEQGWYZGBKZ-SSDOTTSWSA-N 0 1 299.754 3.988 20 0 CHADMN CC(C)(C)c1cc(CN2CC[C@@H](C3CCC3)C2)no1 ZINC000665290334 1123335103 /nfs/dbraw/zinc/33/51/03/1123335103.db2.gz ULQNXBHWLMXACU-CYBMUJFWSA-N 0 1 262.397 3.594 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccccc21)c1nc2ccccc2n1C ZINC000271847619 1129115675 /nfs/dbraw/zinc/11/56/75/1129115675.db2.gz LRHVQAGCYSXUHE-XJKSGUPXSA-N 0 1 291.398 3.911 20 0 CHADMN CC(C)c1ncc(CN(C)Cc2cccc3[nH]ccc32)cn1 ZINC000443059104 1123354765 /nfs/dbraw/zinc/35/47/65/1123354765.db2.gz BEXMKDIZYUYUDH-UHFFFAOYSA-N 0 1 294.402 3.713 20 0 CHADMN CCC[C@H](N[C@@H](CO)c1ccsc1)c1ccsc1 ZINC000443085662 1123354884 /nfs/dbraw/zinc/35/48/84/1123354884.db2.gz CNZXSSARCKKYCW-KBPBESRZSA-N 0 1 281.446 3.974 20 0 CHADMN CCCN1CCC[C@H]1c1nc(-c2ccccc2Cl)no1 ZINC000443098313 1123357853 /nfs/dbraw/zinc/35/78/53/1123357853.db2.gz ZJTCWPWLZPFFJI-ZDUSSCGKSA-N 0 1 291.782 3.937 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC000335322734 1123358508 /nfs/dbraw/zinc/35/85/08/1123358508.db2.gz GXRQUNGHJQRMOL-INIZCTEOSA-N 0 1 295.386 3.573 20 0 CHADMN O=C(CN1CCCC2(CCC2)C1)Nc1cccc(Cl)c1 ZINC000348195159 1123358605 /nfs/dbraw/zinc/35/86/05/1123358605.db2.gz VGGMEGDYGNCIMI-UHFFFAOYSA-N 0 1 292.810 3.545 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccoc1 ZINC000156779408 1129116844 /nfs/dbraw/zinc/11/68/44/1129116844.db2.gz LRKVGFGKFKRKLX-UONOGXRCSA-N 0 1 298.386 3.818 20 0 CHADMN Cc1cnc(CN2CC3(CCCCC3)[C@H]2C(C)C)o1 ZINC000639256859 1123362669 /nfs/dbraw/zinc/36/26/69/1123362669.db2.gz GKKOMCFLEYFYBI-OAHLLOKOSA-N 0 1 262.397 3.774 20 0 CHADMN CO[C@H](C)CN[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000443208443 1123364022 /nfs/dbraw/zinc/36/40/22/1123364022.db2.gz BMUVNKLOBUAJHF-FZKQIMNGSA-N 0 1 296.370 3.542 20 0 CHADMN CCC1(c2ccccc2)CN([C@@H](C)c2cnc(C)nc2C)C1 ZINC000639258736 1123368793 /nfs/dbraw/zinc/36/87/93/1123368793.db2.gz GGPRAIZSODFKJC-HNNXBMFYSA-N 0 1 295.430 3.818 20 0 CHADMN CCC1(c2ccccc2)CN([C@H](C)c2cnc(C)nc2C)C1 ZINC000639258737 1123369355 /nfs/dbraw/zinc/36/93/55/1123369355.db2.gz GGPRAIZSODFKJC-OAHLLOKOSA-N 0 1 295.430 3.818 20 0 CHADMN CCc1nc([C@H](C)N2CC=C(c3ccc(C)cc3)CC2)n[nH]1 ZINC000851714421 1123373607 /nfs/dbraw/zinc/37/36/07/1123373607.db2.gz RBBCTLVTXQXUGF-AWEZNQCLSA-N 0 1 296.418 3.526 20 0 CHADMN Cc1ccc(C2=CCN(CCO[C@H]3CC3(F)F)CC2)cc1 ZINC000851713776 1123374024 /nfs/dbraw/zinc/37/40/24/1123374024.db2.gz JITYFMFMOGGVNM-INIZCTEOSA-N 0 1 293.357 3.508 20 0 CHADMN O[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)C2(CCC2)C1 ZINC000335514129 1123374216 /nfs/dbraw/zinc/37/42/16/1123374216.db2.gz ZQRQVNGLSGIJND-AWEZNQCLSA-N 0 1 299.336 3.585 20 0 CHADMN C[C@@H]1CN(Cc2cnc3ccccc3n2)Cc2ccccc21 ZINC000851720588 1123374277 /nfs/dbraw/zinc/37/42/77/1123374277.db2.gz OFDFMJIJQIWHCU-CQSZACIVSA-N 0 1 289.382 3.749 20 0 CHADMN Cc1[nH]n(-c2ccc(Cl)c(C(F)(F)F)c2)c(=O)c1C ZINC000634614103 1129121831 /nfs/dbraw/zinc/12/18/31/1129121831.db2.gz RTLXOYIKZOKGCS-ZCFIWIBFSA-N 0 1 290.672 3.717 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CCN2CCOC(F)F)o1 ZINC000851793026 1123380396 /nfs/dbraw/zinc/38/03/96/1123380396.db2.gz RTRJUQYXVIZVKE-JQWIXIFHSA-N 0 1 273.323 3.600 20 0 CHADMN CCC[C@@H]1C(C)=NN(c2nc3ccccc3cc2C)C1=O ZINC000634615833 1129121857 /nfs/dbraw/zinc/12/18/57/1129121857.db2.gz SNFKXJGBKZEXKA-CQSZACIVSA-N 0 1 281.359 3.682 20 0 CHADMN C[C@@H](NCc1cccc2nccn21)c1cc2ccccc2o1 ZINC000191130332 1123384545 /nfs/dbraw/zinc/38/45/45/1123384545.db2.gz YGUNGCWIEIQVKZ-CYBMUJFWSA-N 0 1 291.354 3.931 20 0 CHADMN Cc1nc(CN(C)[C@@H](C)Cc2ccc(C)cc2)oc1C ZINC000156876931 1129118368 /nfs/dbraw/zinc/11/83/68/1129118368.db2.gz BRZYDSIKFAUZNT-ZDUSSCGKSA-N 0 1 272.392 3.663 20 0 CHADMN Fc1ccc([C@@H](NCc2cc(C3CC3)no2)C2CC2)cc1 ZINC000851907073 1123388756 /nfs/dbraw/zinc/38/87/56/1123388756.db2.gz PYHPLLGRHDLZTD-KRWDZBQOSA-N 0 1 286.350 3.932 20 0 CHADMN Fc1cccc(CN2CCCC23CCC3)c1OC(F)F ZINC000851988880 1123391890 /nfs/dbraw/zinc/39/18/90/1123391890.db2.gz DBJHPUUCEAOTRP-UHFFFAOYSA-N 0 1 285.309 3.946 20 0 CHADMN FC1(F)CCN(CCc2nsc3ccccc32)CC1 ZINC000852002071 1123393338 /nfs/dbraw/zinc/39/33/38/1123393338.db2.gz RVCFRQBDJOECTC-UHFFFAOYSA-N 0 1 282.359 3.570 20 0 CHADMN C[C@H]1CC[C@H]2C(=O)N(Cc3ccc(Cl)cc3Cl)N=C21 ZINC000634591884 1129118937 /nfs/dbraw/zinc/11/89/37/1129118937.db2.gz RDQQWIBSSLADMQ-GZMMTYOYSA-N 0 1 297.185 3.738 20 0 CHADMN C[C@H]1CCc2c(=O)n(Cc3ccc(Cl)cc3Cl)[nH]c21 ZINC000634591884 1129118940 /nfs/dbraw/zinc/11/89/40/1129118940.db2.gz RDQQWIBSSLADMQ-GZMMTYOYSA-N 0 1 297.185 3.738 20 0 CHADMN C[C@H]1c2ccccc2CN1C/C=C/c1ccncc1 ZINC000335695845 1123395915 /nfs/dbraw/zinc/39/59/15/1123395915.db2.gz RUACTMODOOVMDP-NNTXTVRGSA-N 0 1 250.345 3.672 20 0 CHADMN FC(F)(F)c1nc(CNC2CC3(CCC3)C2)cs1 ZINC000895186876 1123402025 /nfs/dbraw/zinc/40/20/25/1123402025.db2.gz YOBSPLQIHLISQE-UHFFFAOYSA-N 0 1 276.327 3.584 20 0 CHADMN CC(C)(C)c1nnc(CN2CC[C@H](C3CCCCC3)C2)o1 ZINC000852491207 1123406153 /nfs/dbraw/zinc/40/61/53/1123406153.db2.gz YIFXXBPFEKXWFF-AWEZNQCLSA-N 0 1 291.439 3.769 20 0 CHADMN CCc1ccc(CN2CCC(OC3CCCC3)CC2)nc1 ZINC000338946421 1123408354 /nfs/dbraw/zinc/40/83/54/1123408354.db2.gz VZIGWIMBMYVICO-UHFFFAOYSA-N 0 1 288.435 3.568 20 0 CHADMN Clc1cc(CN2CCC([C@@H]3CCCCO3)CC2)ccn1 ZINC000852593867 1123409858 /nfs/dbraw/zinc/40/98/58/1123409858.db2.gz ISDIWXLFJFONOF-HNNXBMFYSA-N 0 1 294.826 3.516 20 0 CHADMN Clc1cc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)ccn1 ZINC000852594910 1123410205 /nfs/dbraw/zinc/41/02/05/1123410205.db2.gz DVXVFCZZDIRUOZ-CABCVRRESA-N 0 1 294.826 3.516 20 0 CHADMN Cc1ccc(N2CCN([C@@H](C)c3cccnc3)CC2)c(C)c1 ZINC000852743012 1123414099 /nfs/dbraw/zinc/41/40/99/1123414099.db2.gz QLVGIJOWHVMDIW-KRWDZBQOSA-N 0 1 295.430 3.582 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1ccsc1Br ZINC000388969549 1123417056 /nfs/dbraw/zinc/41/70/56/1123417056.db2.gz VMHZWPRHINOHBW-QMMMGPOBSA-N 0 1 274.227 3.741 20 0 CHADMN C[C@H](NCc1csc(COc2ccccc2)n1)C1CC1 ZINC000113314754 1123427306 /nfs/dbraw/zinc/42/73/06/1123427306.db2.gz MTXCWGZJOKTVCH-LBPRGKRZSA-N 0 1 288.416 3.610 20 0 CHADMN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NCc1cc(C)no1 ZINC000631074757 1123429480 /nfs/dbraw/zinc/42/94/80/1123429480.db2.gz HTTWQMIYOVEDKB-XHDPSFHLSA-N 0 1 294.782 3.502 20 0 CHADMN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NCc1cc(C)no1 ZINC000631074756 1123429573 /nfs/dbraw/zinc/42/95/73/1123429573.db2.gz HTTWQMIYOVEDKB-NHYWBVRUSA-N 0 1 294.782 3.502 20 0 CHADMN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1nc(C)sc1C ZINC000443581473 1123437125 /nfs/dbraw/zinc/43/71/25/1123437125.db2.gz MLZAAZAUXMNPOV-GJZGRUSLSA-N 0 1 296.480 3.785 20 0 CHADMN CCCc1cc(=O)n(-c2cc(C(F)(F)F)ccc2F)[nH]1 ZINC000634615360 1129121575 /nfs/dbraw/zinc/12/15/75/1129121575.db2.gz FLRFHJLTCMOXOV-UHFFFAOYSA-N 0 1 288.244 3.737 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1nc(C)sc1C ZINC000443586072 1123437082 /nfs/dbraw/zinc/43/70/82/1123437082.db2.gz TUHKOLXFPGPZLT-SNVBAGLBSA-N 0 1 272.483 3.723 20 0 CHADMN O=c1cc(C2CCC2)[nH]n1Cc1cc(Cl)ccc1Cl ZINC000634626808 1129122324 /nfs/dbraw/zinc/12/23/24/1129122324.db2.gz MVTCZBXTJDFBDD-UHFFFAOYSA-N 0 1 297.185 3.882 20 0 CHADMN CO[C@H]1CCN([C@@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000443629211 1123450461 /nfs/dbraw/zinc/45/04/61/1123450461.db2.gz NUUQZMZZSRUGCR-IINYFYTJSA-N 0 1 286.202 3.701 20 0 CHADMN CC(C)(C)c1nc[nH]c1C(=O)Nc1ccc(Cl)c(F)c1 ZINC001141764666 1123454386 /nfs/dbraw/zinc/45/43/86/1123454386.db2.gz UJFGJUZGJZQDOT-UHFFFAOYSA-N 0 1 295.745 3.752 20 0 CHADMN C[C@H]1CCN(Cc2nc(-c3cccs3)no2)C[C@H](C)C1 ZINC000443654615 1123463500 /nfs/dbraw/zinc/46/35/00/1123463500.db2.gz IZELQQFCXDHNDV-NWDGAFQWSA-N 0 1 291.420 3.666 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2ccc3c(c2)CCC3)n1 ZINC000051574828 1123463657 /nfs/dbraw/zinc/46/36/57/1123463657.db2.gz DGVJWKCJPLISLT-AWEZNQCLSA-N 0 1 266.388 3.730 20 0 CHADMN CC[C@@H](NC)c1nc(-c2ccc3cc(OC)ccc3c2)no1 ZINC000854136370 1123470926 /nfs/dbraw/zinc/47/09/26/1123470926.db2.gz FMYKTAIREBYSDO-OAHLLOKOSA-N 0 1 297.358 3.569 20 0 CHADMN C[C@@H](OC(=O)c1ccco1)c1nc2ccc(Cl)cc2[nH]1 ZINC000111989505 1123472863 /nfs/dbraw/zinc/47/28/63/1123472863.db2.gz WWXGDFYJAPOPPF-MRVPVSSYSA-N 0 1 290.706 3.727 20 0 CHADMN C[C@H](O)c1cccc(-c2ccc(F)c(CN(C)C)c2)c1 ZINC000854197377 1123474897 /nfs/dbraw/zinc/47/48/97/1123474897.db2.gz HTHLUWLFOWCVDW-LBPRGKRZSA-N 0 1 273.351 3.608 20 0 CHADMN CC[C@](C)(NCc1ocnc1C)c1ccc(F)cc1 ZINC000895418280 1123477529 /nfs/dbraw/zinc/47/75/29/1123477529.db2.gz LCZJMLXHMCKVQJ-HNNXBMFYSA-N 0 1 262.328 3.537 20 0 CHADMN C[C@@H]1C[C@@H](NC2=CC=C[CH]2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168030702 1123490401 /nfs/dbraw/zinc/49/04/01/1123490401.db2.gz WQURUOJPLCZAPE-HGKCTWBKSA-N 0 1 281.423 3.676 20 0 CHADMN CCc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2OC)nc1 ZINC000338963534 1123495224 /nfs/dbraw/zinc/49/52/24/1123495224.db2.gz ZPKCKHISCRGVOH-GOSISDBHSA-N 0 1 296.414 3.990 20 0 CHADMN CCc1ccc(CN2CCC[C@@H]2c2ccccc2OC)nc1 ZINC000338963534 1123495227 /nfs/dbraw/zinc/49/52/27/1123495227.db2.gz ZPKCKHISCRGVOH-GOSISDBHSA-N 0 1 296.414 3.990 20 0 CHADMN c1nc(C2CC2)sc1CN1CCC2(CCCCO2)CC1 ZINC000895653342 1123503261 /nfs/dbraw/zinc/50/32/61/1123503261.db2.gz GJOSFOJZVMKYPD-UHFFFAOYSA-N 0 1 292.448 3.556 20 0 CHADMN CN(C)Cc1cc(N[C@@H]2CCOC(C)(C)C2)ccc1Cl ZINC000634682757 1129126097 /nfs/dbraw/zinc/12/60/97/1129126097.db2.gz AIFNTGFOSCDFGM-CQSZACIVSA-N 0 1 296.842 3.771 20 0 CHADMN C[C@@H](N[C@@H](C)c1ncco1)C1CCC(F)(F)CC1 ZINC000895766267 1123510556 /nfs/dbraw/zinc/51/05/56/1123510556.db2.gz QQHGBHWXRHOHEE-ZJUUUORDSA-N 0 1 258.312 3.539 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)N[C@@H](C)c1ncco1 ZINC000895763280 1123511945 /nfs/dbraw/zinc/51/19/45/1123511945.db2.gz BWXBJXBYAKNEHD-QWRGUYRKSA-N 0 1 264.756 3.610 20 0 CHADMN c1cn(C2CC2)c(CN[C@@H]2C[C@@H](Sc3ccccc3)C2)n1 ZINC000895776789 1123513320 /nfs/dbraw/zinc/51/33/20/1123513320.db2.gz BNJSMGHNUOKKJG-SAZUREKKSA-N 0 1 299.443 3.631 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N1CCO[C@H](C(F)F)CC1 ZINC000634754333 1129127258 /nfs/dbraw/zinc/12/72/58/1129127258.db2.gz ZLHJWYHEQDVPQD-KGLIPLIRSA-N 0 1 287.325 3.633 20 0 CHADMN CCC(CC)N(CCOC)Cc1ccc(C)nc1Cl ZINC000688593455 1123525421 /nfs/dbraw/zinc/52/54/21/1123525421.db2.gz BBYUTFWMPZEXBX-UHFFFAOYSA-N 0 1 284.831 3.680 20 0 CHADMN Cc1nocc1CN[C@H]1CCc2cccc3cccc1c32 ZINC000895934163 1123531127 /nfs/dbraw/zinc/53/11/27/1123531127.db2.gz IKOHJSISEKZJMS-KRWDZBQOSA-N 0 1 278.355 3.913 20 0 CHADMN Cc1ncc(CN(C)[C@H](C)c2cccs2)s1 ZINC000098130137 1123582003 /nfs/dbraw/zinc/58/20/03/1123582003.db2.gz GHDRNUSMCHUUJK-SECBINFHSA-N 0 1 252.408 3.706 20 0 CHADMN CCc1cc(C)c(C(=O)Nc2cc(F)cc(Cl)c2O)o1 ZINC000474452574 1123533376 /nfs/dbraw/zinc/53/33/76/1123533376.db2.gz ZOKIDLBJSYAENJ-UHFFFAOYSA-N 0 1 297.713 3.901 20 0 CHADMN CCSc1ccc(CNCc2cnc(F)c(C)c2)cc1 ZINC000895995221 1123541182 /nfs/dbraw/zinc/54/11/82/1123541182.db2.gz QPUVWCZOVCPXML-UHFFFAOYSA-N 0 1 290.407 3.931 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](C(F)(F)F)[C@H]2C)cn1 ZINC000335870882 1123550714 /nfs/dbraw/zinc/55/07/14/1123550714.db2.gz XUJKOHHHBHMGMR-DGCLKSJQSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1cccc(CCCN(C)Cc2cn3c(n2)CCCC3)c1 ZINC000429531769 1123558164 /nfs/dbraw/zinc/55/81/64/1123558164.db2.gz WOPZFWNFITXLAM-UHFFFAOYSA-N 0 1 297.446 3.592 20 0 CHADMN CC(C)(C)c1nc(CN[C@]23C[C@H]2CCCC3)cs1 ZINC000631224896 1123558512 /nfs/dbraw/zinc/55/85/12/1123558512.db2.gz FZGLYBRKYYNUMA-IAQYHMDHSA-N 0 1 264.438 3.863 20 0 CHADMN C[C@@H]1CCC[C@H](CCN(C)Cc2cn3c(n2)CCCC3)C1 ZINC000429536921 1123564682 /nfs/dbraw/zinc/56/46/82/1123564682.db2.gz LLTRDLCJJMJQMX-HZPDHXFCSA-N 0 1 289.467 3.868 20 0 CHADMN Cc1cc(CN2CC=C(c3ccc(Cl)nc3)CC2)ccn1 ZINC000856733219 1123565660 /nfs/dbraw/zinc/56/56/60/1123565660.db2.gz SNPDNTDVACULSA-UHFFFAOYSA-N 0 1 299.805 3.728 20 0 CHADMN Cc1nn(C)c(Cl)c1CN1CCC[C@]2(CC=CCC2)C1 ZINC000114563999 1123565871 /nfs/dbraw/zinc/56/58/71/1123565871.db2.gz VZQFEINNWYDILW-MRXNPFEDSA-N 0 1 293.842 3.704 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2NCc1cn(C)nc1Cl ZINC000856795736 1123568944 /nfs/dbraw/zinc/56/89/44/1123568944.db2.gz IHLQRVPRZQSJSB-HNNXBMFYSA-N 0 1 289.810 3.549 20 0 CHADMN CCc1nc(CN[C@H](C)c2oc3ccccc3c2CC)n[nH]1 ZINC000274596515 1129132021 /nfs/dbraw/zinc/13/20/21/1129132021.db2.gz JLXLOSMQUCQYNS-LLVKDONJSA-N 0 1 298.390 3.527 20 0 CHADMN O=C(Nc1cccc(Cl)c1)c1cc(-c2ccccc2)n[nH]1 ZINC000017024423 1123586473 /nfs/dbraw/zinc/58/64/73/1123586473.db2.gz LMBFYJXGGZHFNC-UHFFFAOYSA-N 0 1 297.745 3.982 20 0 CHADMN Cc1cccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)c1 ZINC000017007755 1123587425 /nfs/dbraw/zinc/58/74/25/1123587425.db2.gz ATGNBZGSOXLOHU-UHFFFAOYSA-N 0 1 277.327 3.637 20 0 CHADMN CC(C)Oc1ccccc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631262239 1123587530 /nfs/dbraw/zinc/58/75/30/1123587530.db2.gz GJOQETBOPKBDLO-VXGBXAGGSA-N 0 1 273.298 3.514 20 0 CHADMN Cn1ccc(C2CCN(Cc3cscc3Cl)CC2)n1 ZINC000896495046 1123590527 /nfs/dbraw/zinc/59/05/27/1123590527.db2.gz HATTZRBYPXYSTF-UHFFFAOYSA-N 0 1 295.839 3.515 20 0 CHADMN CC1(c2ccccc2)CC(N[C@@H](c2ncccn2)C2CC2)C1 ZINC000896598530 1123603682 /nfs/dbraw/zinc/60/36/82/1123603682.db2.gz JSKDGVDFJLLIOQ-TVRKMHQQSA-N 0 1 293.414 3.638 20 0 CHADMN Cc1cccc(CN2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000613267626 1123604796 /nfs/dbraw/zinc/60/47/96/1123604796.db2.gz XQXVZVCODYBHQT-AWEZNQCLSA-N 0 1 287.325 3.538 20 0 CHADMN Oc1cc(Cl)cc(CN[C@H](c2ccccn2)C2CC2)c1 ZINC000896608683 1123605696 /nfs/dbraw/zinc/60/56/96/1123605696.db2.gz IGTSJJSXMWKWDD-INIZCTEOSA-N 0 1 288.778 3.682 20 0 CHADMN O=C(Nc1ccc(Cl)cc1F)c1cccc2nc[nH]c21 ZINC000157827627 1129133234 /nfs/dbraw/zinc/13/32/34/1129133234.db2.gz LNWGMDJHMFNPEO-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1cccc2c1OCO2 ZINC000157814487 1129133517 /nfs/dbraw/zinc/13/35/17/1129133517.db2.gz UCTVRAXKUFFTMH-NSHDSACASA-N 0 1 275.373 3.670 20 0 CHADMN CCCN(CC)Cc1cc(F)c(Br)cc1F ZINC001141909733 1123617066 /nfs/dbraw/zinc/61/70/66/1123617066.db2.gz DKCLPDROAZUGLY-UHFFFAOYSA-N 0 1 292.167 3.959 20 0 CHADMN CC(C)n1ncc2cc(N[C@@H]3CCCc4cn[nH]c43)ccc21 ZINC000857862319 1123622901 /nfs/dbraw/zinc/62/29/01/1123622901.db2.gz BDBMPRHOCHAKBS-OAHLLOKOSA-N 0 1 295.390 3.830 20 0 CHADMN CC(C)(C)Oc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000857861023 1123622931 /nfs/dbraw/zinc/62/29/31/1123622931.db2.gz PMRNHPYIRGBBKG-INIZCTEOSA-N 0 1 299.418 3.754 20 0 CHADMN Cc1ccccc1C1(N[C@@H]2CCCc3c[nH]nc32)CCC1 ZINC000857870133 1123623273 /nfs/dbraw/zinc/62/32/73/1123623273.db2.gz CRWWPRCCNXCLGH-MRXNPFEDSA-N 0 1 281.403 3.765 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H]1CCc2ccc(Cl)nc21 ZINC000857905320 1123625430 /nfs/dbraw/zinc/62/54/30/1123625430.db2.gz CWMJYAZBWPUMBD-FZMZJTMJSA-N 0 1 287.794 3.777 20 0 CHADMN Clc1ccc2c(n1)[C@H](N[C@@H](c1cccnc1)C1CC1)CC2 ZINC000857906153 1123625584 /nfs/dbraw/zinc/62/55/84/1123625584.db2.gz BNEFKRPPIGDPOE-GDBMZVCRSA-N 0 1 299.805 3.858 20 0 CHADMN Cc1cc(C)c(CN[C@@H]2CCc3ccc(Cl)nc32)cn1 ZINC000857914570 1123626891 /nfs/dbraw/zinc/62/68/91/1123626891.db2.gz WDTXIOCCWPSXPK-CQSZACIVSA-N 0 1 287.794 3.524 20 0 CHADMN Fc1cc(CN[C@H]2CCSc3c(F)cccc32)ccn1 ZINC000858090399 1123630307 /nfs/dbraw/zinc/63/03/07/1123630307.db2.gz FPOSFUGTCVTREM-ZDUSSCGKSA-N 0 1 292.354 3.687 20 0 CHADMN Cc1cccc(C2(CNCc3cocn3)CCCCC2)c1 ZINC000192287922 1123638387 /nfs/dbraw/zinc/63/83/87/1123638387.db2.gz GWOXXQYYFPZVQN-UHFFFAOYSA-N 0 1 284.403 3.975 20 0 CHADMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc(C)n1 ZINC000608756729 1123638408 /nfs/dbraw/zinc/63/84/08/1123638408.db2.gz OLNGNTHRKBPJQQ-GOSISDBHSA-N 0 1 266.388 3.899 20 0 CHADMN Cc1cccc([C@@H](NCc2cnn(C)c2Cl)C(C)C)c1 ZINC000858286918 1123641636 /nfs/dbraw/zinc/64/16/36/1123641636.db2.gz JELOETDBJPNTQK-HNNXBMFYSA-N 0 1 291.826 3.869 20 0 CHADMN Cc1cccc([C@@H](NCc2cnc(C)cn2)C(C)C)c1 ZINC000858286459 1123641641 /nfs/dbraw/zinc/64/16/41/1123641641.db2.gz CNHVWJATHAXBHU-KRWDZBQOSA-N 0 1 269.392 3.580 20 0 CHADMN CC[C@H](NCc1cnc(C)cn1)c1cc(C)ccc1C ZINC000858295631 1123642723 /nfs/dbraw/zinc/64/27/23/1123642723.db2.gz HALMWKTXKDMWHZ-KRWDZBQOSA-N 0 1 269.392 3.643 20 0 CHADMN CC[C@H](N[C@H](C)c1cnc(C)cn1)c1ccc(C)cc1 ZINC000428307805 1123642964 /nfs/dbraw/zinc/64/29/64/1123642964.db2.gz WJHFHDUMQYDXOO-ZBFHGGJFSA-N 0 1 269.392 3.895 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnc(C)cn1)c1ccc(C)cc1 ZINC000428307803 1123643043 /nfs/dbraw/zinc/64/30/43/1123643043.db2.gz WJHFHDUMQYDXOO-GOEBONIOSA-N 0 1 269.392 3.895 20 0 CHADMN COc1cc(CN[C@H](C)c2ccns2)ccc1SC ZINC000858317430 1123643929 /nfs/dbraw/zinc/64/39/29/1123643929.db2.gz NWZCEZYVXRYHKI-SNVBAGLBSA-N 0 1 294.445 3.724 20 0 CHADMN Cc1ccc2cc(CN[C@@H](C)c3ccns3)[nH]c2c1 ZINC000858318020 1123644530 /nfs/dbraw/zinc/64/45/30/1123644530.db2.gz KGETWSFAARXZNO-NSHDSACASA-N 0 1 271.389 3.784 20 0 CHADMN CCCn1nccc1CN[C@@H]1CCc2ccc(Cl)cc21 ZINC000858321271 1123645346 /nfs/dbraw/zinc/64/53/46/1123645346.db2.gz XTFMBNNHEAQZCF-MRXNPFEDSA-N 0 1 289.810 3.724 20 0 CHADMN C(=C\c1ccccc1)\CN[C@H]1CCCc2scnc21 ZINC000858364488 1123648073 /nfs/dbraw/zinc/64/80/73/1123648073.db2.gz FOPSACOZYSRVCH-PODYEWJSSA-N 0 1 270.401 3.824 20 0 CHADMN Cc1csc([C@H](C)N[C@@H](C)C[C@@H](O)c2cccs2)n1 ZINC000858371249 1123648549 /nfs/dbraw/zinc/64/85/49/1123648549.db2.gz AABNBWSMHQJREP-ZMLRMANQSA-N 0 1 296.461 3.676 20 0 CHADMN CC(C)(C)SCCN[C@@H]1CCCc2scnc21 ZINC000858375302 1123648731 /nfs/dbraw/zinc/64/87/31/1123648731.db2.gz PDEMMEGCMTXXAB-SNVBAGLBSA-N 0 1 270.467 3.642 20 0 CHADMN C[C@H]1C[C@H](Nc2ncc(-c3ccccc3)s2)CC[N@H+]1C ZINC000475041347 1123654304 /nfs/dbraw/zinc/65/43/04/1123654304.db2.gz XPLROPMTVDCDAQ-GXTWGEPZSA-N 0 1 287.432 3.705 20 0 CHADMN COc1c(C)cc(Cl)cc1N[C@H]1CCCc2[nH]ncc21 ZINC000858502084 1123658622 /nfs/dbraw/zinc/65/86/22/1123658622.db2.gz HDLVRNLGAYOISV-LBPRGKRZSA-N 0 1 291.782 3.870 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)Nc2nc(Cl)cs2)n[nH]1 ZINC000858514653 1123659465 /nfs/dbraw/zinc/65/94/65/1123659465.db2.gz VSUMQBVTLLMCLX-BQBZGAKWSA-N 0 1 285.804 3.601 20 0 CHADMN CCCN(CCC[C@@H](C)O)Cc1c(F)cccc1Cl ZINC000475048885 1123663369 /nfs/dbraw/zinc/66/33/69/1123663369.db2.gz QSFRBQDDRQUBJI-GFCCVEGCSA-N 0 1 287.806 3.852 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccns1)c1ccc2c(c1)COC2 ZINC000858578616 1123665628 /nfs/dbraw/zinc/66/56/28/1123665628.db2.gz PTKXHDVTMYRZJI-MNOVXSKESA-N 0 1 274.389 3.585 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@H](C)CC2)s1 ZINC000346143550 1123666271 /nfs/dbraw/zinc/66/62/71/1123666271.db2.gz DKCZBZUQJFXUIY-LBPRGKRZSA-N 0 1 252.427 3.889 20 0 CHADMN CC(C)c1cnc(CN2CCC(C)(C)CC2)s1 ZINC000346142744 1123666619 /nfs/dbraw/zinc/66/66/19/1123666619.db2.gz CEPNRAYNLDXPRJ-UHFFFAOYSA-N 0 1 252.427 3.889 20 0 CHADMN CCc1cnc(CN(C[C@H]2CCCO2)C2CCCC2)s1 ZINC000346215456 1123671338 /nfs/dbraw/zinc/67/13/38/1123671338.db2.gz KCSNDRDBJDCPTE-CQSZACIVSA-N 0 1 294.464 3.629 20 0 CHADMN CCSc1cccc(NC(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000346201482 1123671894 /nfs/dbraw/zinc/67/18/94/1123671894.db2.gz SKANVXJPALPYQL-BETUJISGSA-N 0 1 292.448 3.610 20 0 CHADMN CC[C@]1(C)CCN(Cc2ncc(C(C)C)s2)C1 ZINC000346201362 1123672345 /nfs/dbraw/zinc/67/23/45/1123672345.db2.gz NDOLONKQTRUTOR-CQSZACIVSA-N 0 1 252.427 3.889 20 0 CHADMN CCSc1cccc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000346201484 1123672437 /nfs/dbraw/zinc/67/24/37/1123672437.db2.gz SKANVXJPALPYQL-STQMWFEESA-N 0 1 292.448 3.610 20 0 CHADMN C/C=C(\C)C(=O)N[C@H](c1nc2ccccc2[nH]1)[C@@H](C)CC ZINC000081702402 1129137738 /nfs/dbraw/zinc/13/77/38/1129137738.db2.gz XBSCHIPJAFOOTA-MWMIWRGXSA-N 0 1 285.391 3.733 20 0 CHADMN CCN(Cc1ccc(Cl)cc1)Cc1ccc(F)cn1 ZINC000346276043 1123674641 /nfs/dbraw/zinc/67/46/41/1123674641.db2.gz KAJRJYDXKXYBCP-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN Fc1cccc(CN2CCC3(CCC3)C2)c1Cl ZINC000339016744 1123677693 /nfs/dbraw/zinc/67/76/93/1123677693.db2.gz GBLAWUZZGAIUML-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN C[C@H](CCC(C)(C)C)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000346479783 1123688397 /nfs/dbraw/zinc/68/83/97/1123688397.db2.gz RFLZQLKFHAJSAU-SNVBAGLBSA-N 0 1 291.370 3.647 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1csc(C(C)C)n1)C(C)C ZINC000346518655 1123691599 /nfs/dbraw/zinc/69/15/99/1123691599.db2.gz FZFCSZMDSKYOTL-AAEUAGOBSA-N 0 1 270.442 3.588 20 0 CHADMN C[C@H](CCC1CC1)NCc1nnc(C(C)(C)C)s1 ZINC000346553882 1123695152 /nfs/dbraw/zinc/69/51/52/1123695152.db2.gz WGEADJHKKYYWQR-SNVBAGLBSA-N 0 1 267.442 3.504 20 0 CHADMN F[C@@H](c1nc(-c2ccc3[nH]cnc3c2)no1)c1ccccc1 ZINC000346602841 1123699379 /nfs/dbraw/zinc/69/93/79/1123699379.db2.gz LVAUKOJIUZVUCZ-CQSZACIVSA-N 0 1 294.289 3.672 20 0 CHADMN CC1(C)C[C@H]1N[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000346652077 1123701872 /nfs/dbraw/zinc/70/18/72/1123701872.db2.gz XVDYOZNLHNUDQI-HZPDHXFCSA-N 0 1 270.351 3.698 20 0 CHADMN Clc1cccc(CNc2ccc3nc[nH]c3c2)c1 ZINC000346636309 1123702688 /nfs/dbraw/zinc/70/26/88/1123702688.db2.gz ACUJHIBODAASNH-UHFFFAOYSA-N 0 1 257.724 3.828 20 0 CHADMN C(c1nnc(C2CC2)[nH]1)N1CCCC2(CCCCC2)CC1 ZINC000346632694 1123703369 /nfs/dbraw/zinc/70/33/69/1123703369.db2.gz DOAGGLBNABMLLN-UHFFFAOYSA-N 0 1 288.439 3.619 20 0 CHADMN Cc1coc(C)c1-c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000346655980 1123704873 /nfs/dbraw/zinc/70/48/73/1123704873.db2.gz ZGIXZCQMXIRBEB-UHFFFAOYSA-N 0 1 294.314 3.798 20 0 CHADMN CCCC[C@@H](COC)NC1(c2nc(C)cs2)CCC1 ZINC000346663405 1123705087 /nfs/dbraw/zinc/70/50/87/1123705087.db2.gz YBDZYKWYXSYVIU-ZDUSSCGKSA-N 0 1 282.453 3.626 20 0 CHADMN C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000859782757 1123709529 /nfs/dbraw/zinc/70/95/29/1123709529.db2.gz ZUROMVIHVZMLOP-GFCCVEGCSA-N 0 1 289.375 3.927 20 0 CHADMN C[C@H](c1cccnc1)N1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000649894142 1129140346 /nfs/dbraw/zinc/14/03/46/1129140346.db2.gz CPSWHOACHPHBAM-UONOGXRCSA-N 0 1 284.378 3.944 20 0 CHADMN Cc1cccc([C@H](NCc2cnc(Cl)cn2)C(C)C)c1 ZINC000859851982 1123713800 /nfs/dbraw/zinc/71/38/00/1123713800.db2.gz KHQJYLCSZHZAPM-MRXNPFEDSA-N 0 1 289.810 3.925 20 0 CHADMN Cc1ccc(CN[C@H](CO)c2cccc(F)c2)cc1Cl ZINC000443993105 1123718175 /nfs/dbraw/zinc/71/81/75/1123718175.db2.gz JAVMDHACELNACR-MRXNPFEDSA-N 0 1 293.769 3.611 20 0 CHADMN CSc1ccccc1CN[C@H](C)c1ccns1 ZINC000860057802 1123719545 /nfs/dbraw/zinc/71/95/45/1123719545.db2.gz AZQLMUWNTYNGMX-SNVBAGLBSA-N 0 1 264.419 3.716 20 0 CHADMN C/C=C/C[C@@H]1CCCN(Cc2c(C)nn(C)c2Cl)C1 ZINC000860180348 1123724125 /nfs/dbraw/zinc/72/41/25/1123724125.db2.gz QVLBHSAFJGGASR-MUBLQREKSA-N 0 1 281.831 3.560 20 0 CHADMN CC(C)C[N@@H+](Cc1ccccc1)Cc1cncc(F)c1 ZINC000346893825 1123730912 /nfs/dbraw/zinc/73/09/12/1123730912.db2.gz CUVXNIIMWIGDDD-UHFFFAOYSA-N 0 1 272.367 3.879 20 0 CHADMN COc1ccncc1CN(Cc1ccccc1)CC(C)C ZINC000346915070 1123732025 /nfs/dbraw/zinc/73/20/25/1123732025.db2.gz ZQVFSYDBABYBGT-UHFFFAOYSA-N 0 1 284.403 3.748 20 0 CHADMN Cc1nn(C(C)C)cc1CN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000281757147 1123743484 /nfs/dbraw/zinc/74/34/84/1123743484.db2.gz WFTHSPZNLBMWLJ-KDOFPFPSSA-N 0 1 283.419 3.965 20 0 CHADMN C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)O1 ZINC000475053678 1123744302 /nfs/dbraw/zinc/74/43/02/1123744302.db2.gz PXPNKSRBDRJPAM-PWSUYJOCSA-N 0 1 288.218 3.993 20 0 CHADMN C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)O1 ZINC000475053677 1123744850 /nfs/dbraw/zinc/74/48/50/1123744850.db2.gz PXPNKSRBDRJPAM-JQWIXIFHSA-N 0 1 288.218 3.993 20 0 CHADMN Cc1ccc(C)c(CNCc2cc(C)cc(Cl)n2)c1 ZINC000281904103 1123749089 /nfs/dbraw/zinc/74/90/89/1123749089.db2.gz FUHDIGRTADVZBB-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN Cc1nc(C[N@H+]2CCC[C@H](c3nccs3)C2)c(C)s1 ZINC000336351431 1123764034 /nfs/dbraw/zinc/76/40/34/1123764034.db2.gz JEFUIQXNVJRGPZ-LBPRGKRZSA-N 0 1 293.461 3.596 20 0 CHADMN Cc1nc(CN2CCC[C@H](c3nccs3)C2)c(C)s1 ZINC000336351431 1123764037 /nfs/dbraw/zinc/76/40/37/1123764037.db2.gz JEFUIQXNVJRGPZ-LBPRGKRZSA-N 0 1 293.461 3.596 20 0 CHADMN Cc1ccc(N(C)Cc2[nH]nc3ccccc32)cc1 ZINC000780769315 1123767722 /nfs/dbraw/zinc/76/77/22/1123767722.db2.gz QQGJSHUAWUYORG-UHFFFAOYSA-N 0 1 251.333 3.508 20 0 CHADMN C[C@H](O)CCCN(Cc1c(F)cccc1F)C1CCCC1 ZINC000475061910 1123774449 /nfs/dbraw/zinc/77/44/49/1123774449.db2.gz JOLHIDNVOBEBCD-ZDUSSCGKSA-N 0 1 297.389 3.870 20 0 CHADMN Cc1onc(-c2ccccc2)c1CN1CCCC[C@@H](F)C1 ZINC001141979538 1123778310 /nfs/dbraw/zinc/77/83/10/1123778310.db2.gz VZIVPHLHAHIIBN-OAHLLOKOSA-N 0 1 288.366 3.974 20 0 CHADMN Cc1onc(-c2ccccc2)c1CN1CCCC[C@H](F)C1 ZINC001141979536 1123778586 /nfs/dbraw/zinc/77/85/86/1123778586.db2.gz VZIVPHLHAHIIBN-HNNXBMFYSA-N 0 1 288.366 3.974 20 0 CHADMN C[C@@H](N[C@H](C)c1ccncn1)c1cccc(Cl)c1 ZINC000395829661 1123779013 /nfs/dbraw/zinc/77/90/13/1123779013.db2.gz UJKIRMMJMBPSGV-GHMZBOCLSA-N 0 1 261.756 3.542 20 0 CHADMN C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(O)c(Cl)c1 ZINC000042462633 1123786718 /nfs/dbraw/zinc/78/67/18/1123786718.db2.gz RBPQDLMRNCNHBA-ZYHUDNBSSA-N 0 1 281.783 3.602 20 0 CHADMN CCC[C@@H](C(=O)NOC(C)C)c1cccc(Cl)c1 ZINC000861879299 1123786694 /nfs/dbraw/zinc/78/66/94/1123786694.db2.gz JZUXRMUKOYZRHC-CYBMUJFWSA-N 0 1 269.772 3.680 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cccc(Cl)n2)cc1 ZINC000173448353 1123791224 /nfs/dbraw/zinc/79/12/24/1123791224.db2.gz WPXKQFPMBLXGGR-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1ccnc(F)c1C ZINC000862221237 1123792904 /nfs/dbraw/zinc/79/29/04/1123792904.db2.gz XIDXQUZXASSQEW-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN COc1ccc2nc(CN3CCC(C)(C)CC3)sc2c1 ZINC000475114678 1123796900 /nfs/dbraw/zinc/79/69/00/1123796900.db2.gz XUBGDSFZQBUEEP-UHFFFAOYSA-N 0 1 290.432 3.927 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccncn1 ZINC000395924924 1123797634 /nfs/dbraw/zinc/79/76/34/1123797634.db2.gz VOKLCDNDGUYGSD-WDEREUQCSA-N 0 1 261.756 3.542 20 0 CHADMN CC[C@](C)(NCc1cnc(C2CC2)o1)c1ccccc1 ZINC000862281281 1123797885 /nfs/dbraw/zinc/79/78/85/1123797885.db2.gz XXQXKCHZQYSZOQ-KRWDZBQOSA-N 0 1 270.376 3.967 20 0 CHADMN Cc1ccc([C@@H](C)CNCc2nnc(C(C)C)s2)cc1 ZINC000862285172 1123798428 /nfs/dbraw/zinc/79/84/28/1123798428.db2.gz PFSGDMUBFCTYCN-ZDUSSCGKSA-N 0 1 289.448 3.863 20 0 CHADMN C[C@@H](c1cccs1)[N@@H+](C)Cc1cnc2ccccn12 ZINC000158510956 1129146273 /nfs/dbraw/zinc/14/62/73/1129146273.db2.gz HRYSILSJBARENK-LBPRGKRZSA-N 0 1 271.389 3.589 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1cnc2ccccn12 ZINC000158510956 1129146274 /nfs/dbraw/zinc/14/62/74/1129146274.db2.gz HRYSILSJBARENK-LBPRGKRZSA-N 0 1 271.389 3.589 20 0 CHADMN Cc1cccc2nc(-c3ccc(-n4cccn4)cc3)[nH]c21 ZINC000201623655 1123803812 /nfs/dbraw/zinc/80/38/12/1123803812.db2.gz AATGFCPRZOVHCF-UHFFFAOYSA-N 0 1 274.327 3.724 20 0 CHADMN Cc1c(F)nccc1CNC(C)(C)c1ccccc1F ZINC000862374000 1123804136 /nfs/dbraw/zinc/80/41/36/1123804136.db2.gz JNWFVBAWCCDOGI-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN Cc1ccc(CN(Cc2ccnc(F)c2C)CC2CC2)cn1 ZINC000862400084 1123807128 /nfs/dbraw/zinc/80/71/28/1123807128.db2.gz MBXHUQWFXXZGLW-UHFFFAOYSA-N 0 1 299.393 3.645 20 0 CHADMN Cc1cc(CNCCCCCCc2ccccc2)no1 ZINC000862453330 1123811341 /nfs/dbraw/zinc/81/13/41/1123811341.db2.gz LDUUISYRLUJTIP-UHFFFAOYSA-N 0 1 272.392 3.876 20 0 CHADMN Cc1c(CN[C@H](c2ccccn2)C2CCC2)ccnc1F ZINC000862478379 1123813124 /nfs/dbraw/zinc/81/31/24/1123813124.db2.gz WWMSFPFMHVKOFR-INIZCTEOSA-N 0 1 285.366 3.555 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](C)Cc1sccc1Br ZINC000043511832 1123818724 /nfs/dbraw/zinc/81/87/24/1123818724.db2.gz BDMRXFZFYRUBOU-QMMMGPOBSA-N 0 1 274.227 3.741 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1sccc1Br ZINC000043511832 1123818727 /nfs/dbraw/zinc/81/87/27/1123818727.db2.gz BDMRXFZFYRUBOU-QMMMGPOBSA-N 0 1 274.227 3.741 20 0 CHADMN Cc1ccc(CNc2nccn2Cc2ccccc2)cc1F ZINC000508472852 1123819187 /nfs/dbraw/zinc/81/91/87/1123819187.db2.gz KMGGGNOWBRHWES-UHFFFAOYSA-N 0 1 295.361 3.991 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000475272194 1123832124 /nfs/dbraw/zinc/83/21/24/1123832124.db2.gz XXJVCYBFFROSPH-ZYHUDNBSSA-N 0 1 275.289 3.907 20 0 CHADMN Cc1ccccc1CN(C(=O)c1cc(C(C)C)[nH]n1)C1CC1 ZINC000339051507 1123844608 /nfs/dbraw/zinc/84/46/08/1123844608.db2.gz NLAVRUIWHFQZAP-UHFFFAOYSA-N 0 1 297.402 3.646 20 0 CHADMN CCN(Cc1cnoc1C)[C@H](C)c1cccc(OC)c1 ZINC000158637523 1129149282 /nfs/dbraw/zinc/14/92/82/1129149282.db2.gz NDNMDOYSEDOQSX-GFCCVEGCSA-N 0 1 274.364 3.575 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H]1CCCn2ccnc21)C1CC1 ZINC000655711408 1123857590 /nfs/dbraw/zinc/85/75/90/1123857590.db2.gz JRRSXHUOLCHNGZ-IAGOWNOFSA-N 0 1 281.403 3.767 20 0 CHADMN O=C1CC2(CCCC2)CN1CN1CCC[C@@H]1c1ccccc1 ZINC000083116052 1129150101 /nfs/dbraw/zinc/15/01/01/1129150101.db2.gz HXHPFJLHXVMUKV-QGZVFWFLSA-N 0 1 298.430 3.574 20 0 CHADMN Cc1ccc(CN[C@H](c2ccc(Cl)cc2)C2CC2)nn1 ZINC000396549312 1123863062 /nfs/dbraw/zinc/86/30/62/1123863062.db2.gz FVGVASFVBZBSTO-INIZCTEOSA-N 0 1 287.794 3.679 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccn1)c1ccc2c(c1)OCCCO2 ZINC000192917313 1123866577 /nfs/dbraw/zinc/86/65/77/1123866577.db2.gz ULLNWRLXLKTOJN-KGLIPLIRSA-N 0 1 298.386 3.655 20 0 CHADMN COc1cccc(CNCc2sccc2Cl)c1 ZINC000192982139 1123868504 /nfs/dbraw/zinc/86/85/04/1123868504.db2.gz KJHYNIPESMYQHU-UHFFFAOYSA-N 0 1 267.781 3.700 20 0 CHADMN Fc1ccc(CNCc2sccc2Cl)cc1 ZINC000192974977 1123868703 /nfs/dbraw/zinc/86/87/03/1123868703.db2.gz BXGVLCCSFSPHKZ-UHFFFAOYSA-N 0 1 255.745 3.830 20 0 CHADMN Clc1ccc2nc(Sc3cncc(Cl)n3)[nH]c2c1 ZINC000301085658 1123872888 /nfs/dbraw/zinc/87/28/88/1123872888.db2.gz PSSZAOVNCIBNBP-UHFFFAOYSA-N 0 1 297.170 3.811 20 0 CHADMN CCSc1ccc([C@H](C)Nc2ncnc3[nH]cnc32)cc1 ZINC000301215808 1123882680 /nfs/dbraw/zinc/88/26/80/1123882680.db2.gz XTDCHUBBFXZWGT-JTQLQIEISA-N 0 1 299.403 3.638 20 0 CHADMN CC[C@@H](C)[C@](C)(O)CNc1ccnc2cc(F)ccc21 ZINC000301256893 1123885763 /nfs/dbraw/zinc/88/57/63/1123885763.db2.gz KOHKIJQYNGNHGV-BDJLRTHQSA-N 0 1 276.355 3.583 20 0 CHADMN CCN[C@H](C)c1nc(-c2ccc(SC)cc2Cl)no1 ZINC000863664350 1123886468 /nfs/dbraw/zinc/88/64/68/1123886468.db2.gz XXZOOJYQMJTISN-MRVPVSSYSA-N 0 1 297.811 3.782 20 0 CHADMN Fc1cccc([C@@H]2CCN(Cc3cncc(Cl)c3)C2)c1 ZINC000621254762 1129152123 /nfs/dbraw/zinc/15/21/23/1129152123.db2.gz JKQBVDCZVLVUPU-CQSZACIVSA-N 0 1 290.769 3.864 20 0 CHADMN CO[C@H]1CCCC[C@H]1Nc1ccnc2cc(F)ccc21 ZINC000301471068 1123903207 /nfs/dbraw/zinc/90/32/07/1123903207.db2.gz SXLOALCMXFBGTJ-ZBFHGGJFSA-N 0 1 274.339 3.743 20 0 CHADMN C[C@]1(CNc2ccnc3cc(F)ccc32)CCCC[C@@H]1O ZINC000301474324 1123903245 /nfs/dbraw/zinc/90/32/45/1123903245.db2.gz AAHXGBXFEINMRA-DLBZAZTESA-N 0 1 288.366 3.727 20 0 CHADMN Cc1cccc(OCCN(C)Cc2cncc(Cl)c2)c1 ZINC000621245188 1129152810 /nfs/dbraw/zinc/15/28/10/1129152810.db2.gz SGMZDAIDJQYXOL-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN C[C@H]1CC2(CCC2)C[N@H+]1Cc1occc1Br ZINC000763649507 1129157953 /nfs/dbraw/zinc/15/79/53/1129157953.db2.gz VYMSWEBELGBVNV-JTQLQIEISA-N 0 1 284.197 3.807 20 0 CHADMN C[C@H]1CC2(CCC2)CN1Cc1occc1Br ZINC000763649507 1129157954 /nfs/dbraw/zinc/15/79/54/1129157954.db2.gz VYMSWEBELGBVNV-JTQLQIEISA-N 0 1 284.197 3.807 20 0 CHADMN COc1cncc(CN2CC([C@@H]3CCC[C@@H](C)C3)C2)c1C ZINC000864055046 1123914832 /nfs/dbraw/zinc/91/48/32/1123914832.db2.gz HAIRPEPZUKDNFB-UKRRQHHQSA-N 0 1 288.435 3.657 20 0 CHADMN Cc1cc(N2C[C@@H]3CCC[C@@H]3C2)c2cc(F)ccc2n1 ZINC000301637261 1123919731 /nfs/dbraw/zinc/91/97/31/1123919731.db2.gz AHYMOFGAUSKWCA-BETUJISGSA-N 0 1 270.351 3.919 20 0 CHADMN CCOC1CCN(c2cc(C)nc3ccc(F)cc32)CC1 ZINC000301647562 1123920242 /nfs/dbraw/zinc/92/02/42/1123920242.db2.gz DPIRWOMNAAIZHP-UHFFFAOYSA-N 0 1 288.366 3.688 20 0 CHADMN Cc1cc(NC[C@H](C)C[C@@H](C)O)c2cc(F)ccc2n1 ZINC000301644371 1123920458 /nfs/dbraw/zinc/92/04/58/1123920458.db2.gz CJSIKCHOHQEYNC-ZYHUDNBSSA-N 0 1 276.355 3.501 20 0 CHADMN Cc1ccc2c(CCNc3cc(C)ccn3)c[nH]c2c1 ZINC000301648715 1123920650 /nfs/dbraw/zinc/92/06/50/1123920650.db2.gz OVQNRPAUAKUHAG-UHFFFAOYSA-N 0 1 265.360 3.834 20 0 CHADMN Cc1ccnc(NC[C@@H](C)Sc2ccccc2)c1 ZINC000301642765 1123920809 /nfs/dbraw/zinc/92/08/09/1123920809.db2.gz MTZRCBQFOLVKML-CYBMUJFWSA-N 0 1 258.390 3.983 20 0 CHADMN COCCC1(CNc2ccnc3cc(F)ccc32)CCC1 ZINC000301653556 1123921427 /nfs/dbraw/zinc/92/14/27/1123921427.db2.gz KODWURHHPHWIKH-UHFFFAOYSA-N 0 1 288.366 3.993 20 0 CHADMN C[C@H](Nc1ccnc2cc(F)ccc21)C1CCOCC1 ZINC000301665069 1123922049 /nfs/dbraw/zinc/92/20/49/1123922049.db2.gz LOLGNQKSVSLSNF-NSHDSACASA-N 0 1 274.339 3.601 20 0 CHADMN Cc1ccnc(NC[C@@H](C)Oc2ccccc2C)c1 ZINC000301669454 1123922622 /nfs/dbraw/zinc/92/26/22/1123922622.db2.gz YEJGGVBJAZRAAH-CQSZACIVSA-N 0 1 256.349 3.578 20 0 CHADMN Cc1sc(/C=C/c2ncc(CN(C)C)s2)cc1C=O ZINC000794699365 1123937865 /nfs/dbraw/zinc/93/78/65/1123937865.db2.gz BRTATLHOCMCWDF-SNAWJCMRSA-N 0 1 292.429 3.558 20 0 CHADMN CC[C@H](CSC)N(C)c1ccnc2cc(F)ccc21 ZINC000301948313 1123945685 /nfs/dbraw/zinc/94/56/85/1123945685.db2.gz BJVXAEHRTLQYBB-GFCCVEGCSA-N 0 1 278.396 3.952 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(C(F)(F)F)s2)[nH]n1 ZINC000717925562 1129155984 /nfs/dbraw/zinc/15/59/84/1129155984.db2.gz XTQOBFRNSXYWBK-QMMMGPOBSA-N 0 1 289.326 3.649 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(C(F)(F)F)s2)n[nH]1 ZINC000717925562 1129155986 /nfs/dbraw/zinc/15/59/86/1129155986.db2.gz XTQOBFRNSXYWBK-QMMMGPOBSA-N 0 1 289.326 3.649 20 0 CHADMN C[C@H](NCc1cccnc1F)c1ccc2c(c1)CCCC2 ZINC000794831380 1123962563 /nfs/dbraw/zinc/96/25/63/1123962563.db2.gz DBXGVZBKHUYILF-ZDUSSCGKSA-N 0 1 284.378 3.950 20 0 CHADMN Cc1cccc(NCC(C)(C)c2ccc3c(c2)OCCO3)n1 ZINC000302235517 1123963256 /nfs/dbraw/zinc/96/32/56/1123963256.db2.gz IGUCECFTDAUUOH-UHFFFAOYSA-N 0 1 298.386 3.551 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cccnc1F)[C@H](C)C2 ZINC000794830681 1123963565 /nfs/dbraw/zinc/96/35/65/1123963565.db2.gz ZYLNERHZWTZHNH-MLGOLLRUSA-N 0 1 270.351 3.552 20 0 CHADMN CC(C)[C@@H](NCc1cccnc1F)c1ccccc1 ZINC000794835552 1123966745 /nfs/dbraw/zinc/96/67/45/1123966745.db2.gz MEFOJMSKSFWDBK-OAHLLOKOSA-N 0 1 258.340 3.708 20 0 CHADMN C[C@H]1CC[C@@H](NCc2cccnc2F)c2ccccc21 ZINC000794832685 1123968810 /nfs/dbraw/zinc/96/88/10/1123968810.db2.gz DAMXKKZPUAZNJX-BLLLJJGKSA-N 0 1 270.351 3.949 20 0 CHADMN CC[C@H](C(=O)N1Cc2ccccc2-c2ccccc21)N(C)C ZINC000665705769 1123969089 /nfs/dbraw/zinc/96/90/89/1123969089.db2.gz QFPVRTMYIRXDMS-QGZVFWFLSA-N 0 1 294.398 3.540 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2cccnc2F)c2ccccc21 ZINC000794832691 1123969259 /nfs/dbraw/zinc/96/92/59/1123969259.db2.gz DAMXKKZPUAZNJX-MLGOLLRUSA-N 0 1 270.351 3.949 20 0 CHADMN Cc1cc(N[C@H]2CCC[C@H]2CCO)c2cc(F)ccc2n1 ZINC000302476197 1123969397 /nfs/dbraw/zinc/96/93/97/1123969397.db2.gz VHTNLDKFLYJRMY-WFASDCNBSA-N 0 1 288.366 3.645 20 0 CHADMN Fc1ncccc1CN[C@H]1CCCCc2ccccc21 ZINC000794836595 1123971759 /nfs/dbraw/zinc/97/17/59/1123971759.db2.gz UMDDWWKPSDDRQF-INIZCTEOSA-N 0 1 270.351 3.778 20 0 CHADMN CO[C@@H]1CC[C@@H](Nc2cc(C)nc3ccc(F)cc32)C1 ZINC000302610169 1123974539 /nfs/dbraw/zinc/97/45/39/1123974539.db2.gz ALKXCRVGMXTUBC-CHWSQXEVSA-N 0 1 274.339 3.662 20 0 CHADMN CC(C)(C)Oc1cccc(CNCc2ccccn2)c1 ZINC000865399697 1123979701 /nfs/dbraw/zinc/97/97/01/1123979701.db2.gz SPDZYOVENWTGHP-UHFFFAOYSA-N 0 1 270.376 3.549 20 0 CHADMN Cc1c(Cl)cccc1CN[C@@H](C)c1ccccn1 ZINC000865400939 1123980412 /nfs/dbraw/zinc/98/04/12/1123980412.db2.gz DWGGEAVTKCODQZ-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN CCCOc1ccc([C@H](C)NCc2cccnc2F)cc1 ZINC000794837052 1123984142 /nfs/dbraw/zinc/98/41/42/1123984142.db2.gz UCULAGTWGUAXHO-ZDUSSCGKSA-N 0 1 288.366 3.860 20 0 CHADMN Cc1c(Cl)cccc1CN[C@@H](CO)c1cccc(F)c1 ZINC000865467707 1123986991 /nfs/dbraw/zinc/98/69/91/1123986991.db2.gz NZFAECSCRUOPMU-INIZCTEOSA-N 0 1 293.769 3.611 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1NCc1cn(C2CC2)cn1 ZINC000865513532 1123991560 /nfs/dbraw/zinc/99/15/60/1123991560.db2.gz IPXDYBLTILRDJK-ACJLOTCBSA-N 0 1 281.403 3.631 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cncc(Cl)c1 ZINC000621273052 1129159411 /nfs/dbraw/zinc/15/94/11/1129159411.db2.gz LKZVKGHTYXRCRR-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(F)c(F)c2)nc1C ZINC000314725956 1123993632 /nfs/dbraw/zinc/99/36/32/1123993632.db2.gz FXAVSUPBCUVTPM-LBPRGKRZSA-N 0 1 276.330 3.827 20 0 CHADMN Clc1ccsc1CNc1nccn1C1CC1 ZINC000840886598 1123995720 /nfs/dbraw/zinc/99/57/20/1123995720.db2.gz IMGDOSPDFJCTRJ-UHFFFAOYSA-N 0 1 253.758 3.545 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cn(C3CC3)cn1)CCC2 ZINC000865570089 1123996259 /nfs/dbraw/zinc/99/62/59/1123996259.db2.gz VTIJUUUTEBYMNE-SFHVURJKSA-N 0 1 281.403 3.694 20 0 CHADMN Cc1scc(CN[C@@H](C)c2ccns2)c1C ZINC000865644548 1124001912 /nfs/dbraw/zinc/00/19/12/1124001912.db2.gz DUVZEOKLMAJKJS-VIFPVBQESA-N 0 1 252.408 3.672 20 0 CHADMN CC[C@@](C)(NCc1cnn(C)c1Cl)c1ccc(F)cc1 ZINC000865660140 1124002678 /nfs/dbraw/zinc/00/26/78/1124002678.db2.gz JDJOSUHNHAPYJQ-OAHLLOKOSA-N 0 1 295.789 3.628 20 0 CHADMN CC(C)c1ccc(-c2noc(CN3CC[C@@H](C)C3)n2)cc1 ZINC000261381054 1124004473 /nfs/dbraw/zinc/00/44/73/1124004473.db2.gz DMIBDHPLMHHTQH-CYBMUJFWSA-N 0 1 285.391 3.702 20 0 CHADMN CO[C@]1(C)CCCN(Cc2cc(Cl)ccc2F)CC1 ZINC000475543902 1124008369 /nfs/dbraw/zinc/00/83/69/1124008369.db2.gz ASNFWOJGMWOIQG-OAHLLOKOSA-N 0 1 285.790 3.870 20 0 CHADMN CC/C=C(\F)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000865727575 1124008413 /nfs/dbraw/zinc/00/84/13/1124008413.db2.gz BJAPLPCPNJYBMD-YXSUAUNDSA-N 0 1 295.745 3.657 20 0 CHADMN CO[C@]1(C)CCCN(Cc2c(F)cccc2Cl)CC1 ZINC000475557251 1124009953 /nfs/dbraw/zinc/00/99/53/1124009953.db2.gz WZIZWJQRBBSWQC-OAHLLOKOSA-N 0 1 285.790 3.870 20 0 CHADMN Cc1nc2ccc(NC(=O)C(C)(C)CC(F)(F)F)cc2[nH]1 ZINC000665796237 1124014355 /nfs/dbraw/zinc/01/43/55/1124014355.db2.gz RMFLGKMYUADZIX-UHFFFAOYSA-N 0 1 299.296 3.788 20 0 CHADMN CCN(Cc1nn(-c2ccccc2)c2c1CCC2)CC1CC1 ZINC000261406420 1124016027 /nfs/dbraw/zinc/01/60/27/1124016027.db2.gz GXZNBBIGXNPMMT-UHFFFAOYSA-N 0 1 295.430 3.593 20 0 CHADMN CCSCCN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000303881210 1124017468 /nfs/dbraw/zinc/01/74/68/1124017468.db2.gz JBGGVACKGLBTII-UHFFFAOYSA-N 0 1 298.883 3.524 20 0 CHADMN COc1ccsc1CN[C@@H](C)c1ccccc1OC ZINC000865821597 1124018053 /nfs/dbraw/zinc/01/80/53/1124018053.db2.gz JHYXBJSVBOXWHX-NSHDSACASA-N 0 1 277.389 3.616 20 0 CHADMN Clc1cncc(CN2CCC[C@H](c3ccncc3)C2)c1 ZINC000621294901 1129162035 /nfs/dbraw/zinc/16/20/35/1129162035.db2.gz RTWQYJBBSKHAMN-HNNXBMFYSA-N 0 1 287.794 3.510 20 0 CHADMN Fc1cnccc1CN[C@@H]1CCc2c1cccc2Cl ZINC000336214521 1124042554 /nfs/dbraw/zinc/04/25/54/1124042554.db2.gz ZCPQVDHBJHYNKK-OAHLLOKOSA-N 0 1 276.742 3.651 20 0 CHADMN Cc1cccc(F)c1CN[C@@H]1CCCc2ncccc21 ZINC000866273984 1124046005 /nfs/dbraw/zinc/04/60/05/1124046005.db2.gz FQILHSPSPGZEOP-QGZVFWFLSA-N 0 1 270.351 3.696 20 0 CHADMN C[C@H]1CCc2ccc(F)cc2[C@H]1NCc1ccc(F)cn1 ZINC000866286906 1124047573 /nfs/dbraw/zinc/04/75/73/1124047573.db2.gz GAHCOXJXNHFBKS-GTNSWQLSSA-N 0 1 288.341 3.773 20 0 CHADMN CC(C)CC[C@H]1CCCN1Cc1nncn1-c1ccccc1 ZINC000444654682 1124048324 /nfs/dbraw/zinc/04/83/24/1124048324.db2.gz PJGSERDUSUCIEH-MRXNPFEDSA-N 0 1 298.434 3.668 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1Cc1nncn1-c1ccccc1 ZINC000444648834 1124048469 /nfs/dbraw/zinc/04/84/69/1124048469.db2.gz OETIZUGKHXSPRM-RDJZCZTQSA-N 0 1 298.434 3.668 20 0 CHADMN CC(C)C[C@H]1CCCCN1Cc1nncn1-c1ccccc1 ZINC000444661136 1124049102 /nfs/dbraw/zinc/04/91/02/1124049102.db2.gz LBRZZKVVCYZOQM-QGZVFWFLSA-N 0 1 298.434 3.668 20 0 CHADMN CC[C@@H]1CCCC[C@H]1N(C)Cc1nncn1-c1ccccc1 ZINC000444686163 1124050916 /nfs/dbraw/zinc/05/09/16/1124050916.db2.gz RRMIRBFQRWYIIG-NVXWUHKLSA-N 0 1 298.434 3.668 20 0 CHADMN C[C@H](NCc1ccc(-c2cccs2)cc1)c1cnn(C)c1 ZINC000444683000 1124053459 /nfs/dbraw/zinc/05/34/59/1124053459.db2.gz CUEDOBKQRPDJFH-ZDUSSCGKSA-N 0 1 297.427 3.999 20 0 CHADMN CSCCCCCN[C@H]1c2ccccc2OC[C@@H]1F ZINC000866341951 1124054628 /nfs/dbraw/zinc/05/46/28/1124054628.db2.gz QFJUBSFPMZEUBI-ZFWWWQNUSA-N 0 1 283.412 3.581 20 0 CHADMN CSCCCCCN[C@@H]1c2ccccc2OC[C@@H]1F ZINC000866341944 1124054634 /nfs/dbraw/zinc/05/46/34/1124054634.db2.gz QFJUBSFPMZEUBI-DZGCQCFKSA-N 0 1 283.412 3.581 20 0 CHADMN CCn1ccnc1CN[C@@H]1CCc2cccc3cccc1c32 ZINC000866363052 1124057806 /nfs/dbraw/zinc/05/78/06/1124057806.db2.gz FVUSUOYUEFYQJA-QGZVFWFLSA-N 0 1 291.398 3.833 20 0 CHADMN c1cn2c(n1)[C@H](N[C@H]1CCc3cccc4cccc1c43)CC2 ZINC000866367273 1124058433 /nfs/dbraw/zinc/05/84/33/1124058433.db2.gz XLYHXABJVAYRDH-DLBZAZTESA-N 0 1 289.382 3.758 20 0 CHADMN C[C@H](N[C@@H]1CCc2cccc3cccc1c32)c1ccn(C)n1 ZINC000866372512 1124059470 /nfs/dbraw/zinc/05/94/70/1124059470.db2.gz HSZMQPAVHSIEOW-SCLBCKFNSA-N 0 1 291.398 3.911 20 0 CHADMN CCC[C@]1(CO)CCCN1Cc1ccc(Cl)cc1F ZINC000444782136 1124059563 /nfs/dbraw/zinc/05/95/63/1124059563.db2.gz JLNIGHAELAVGJL-OAHLLOKOSA-N 0 1 285.790 3.606 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2nc(-c3cccs3)no2)C1 ZINC000444752630 1124059744 /nfs/dbraw/zinc/05/97/44/1124059744.db2.gz JXCIVUOZXBNOMW-GFCCVEGCSA-N 0 1 291.420 3.666 20 0 CHADMN CC(C)[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1ccccn1 ZINC000866389868 1124061093 /nfs/dbraw/zinc/06/10/93/1124061093.db2.gz PUJZWUYLJKAZML-KSZLIROESA-N 0 1 282.387 3.547 20 0 CHADMN Cc1ccc(NC(=O)CN2CCC[C@H](C(C)C)C2)c(C)c1 ZINC000444771212 1124062283 /nfs/dbraw/zinc/06/22/83/1124062283.db2.gz IPHCFNFEPKUSGP-INIZCTEOSA-N 0 1 288.435 3.610 20 0 CHADMN Fc1cncc([C@H](N[C@H]2CCCC[C@H]2F)C2CC2)c1 ZINC000866451897 1124067837 /nfs/dbraw/zinc/06/78/37/1124067837.db2.gz QNZRJAFFWKJVOR-QLFBSQMISA-N 0 1 266.335 3.542 20 0 CHADMN Cc1ncc([C@H](C)N[C@H]2CCc3nc(Cl)ccc32)s1 ZINC000866456320 1124068217 /nfs/dbraw/zinc/06/82/17/1124068217.db2.gz XZYJHULRLFOLRU-KWQFWETISA-N 0 1 293.823 3.838 20 0 CHADMN CCOc1cncc(CN[C@H](c2ncccc2C)C(C)C)c1 ZINC000621336284 1129164258 /nfs/dbraw/zinc/16/42/58/1129164258.db2.gz RMQDDWFEIAQYIF-KRWDZBQOSA-N 0 1 299.418 3.671 20 0 CHADMN CSc1ccc([C@H](C)NCc2ccnc(F)c2)cc1F ZINC000866473699 1124070187 /nfs/dbraw/zinc/07/01/87/1124070187.db2.gz PPVGAOSYFLNMCS-JTQLQIEISA-N 0 1 294.370 3.933 20 0 CHADMN CCCc1nc(C)c(CN2CCC(OC(C)(C)C)CC2)o1 ZINC000428384276 1124071079 /nfs/dbraw/zinc/07/10/79/1124071079.db2.gz BVXONJQHZNLYQS-UHFFFAOYSA-N 0 1 294.439 3.715 20 0 CHADMN CCOc1cncc(CNCc2ccc(F)c(Cl)c2)c1 ZINC000621332881 1129164480 /nfs/dbraw/zinc/16/44/80/1129164480.db2.gz KWLNAWLYCMYLBP-UHFFFAOYSA-N 0 1 294.757 3.563 20 0 CHADMN CCOc1cncc(CNCc2oc3ccccc3c2C)c1 ZINC000621336082 1129164488 /nfs/dbraw/zinc/16/44/88/1129164488.db2.gz JORBYDIBRPPCNC-UHFFFAOYSA-N 0 1 296.370 3.825 20 0 CHADMN O=C(NCc1ccc2ccccc2c1)c1cccc(F)c1O ZINC001126618748 1124073819 /nfs/dbraw/zinc/07/38/19/1124073819.db2.gz JBIOFNBJPDZCIA-UHFFFAOYSA-N 0 1 295.313 3.615 20 0 CHADMN Fc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1C(F)F ZINC000866509045 1124075171 /nfs/dbraw/zinc/07/51/71/1124075171.db2.gz UNEDAVGNHRNPAH-LBPRGKRZSA-N 0 1 281.281 3.976 20 0 CHADMN Fc1ccc2oc(CNC[C@@H]3CCCCC3(F)F)nc2c1 ZINC000634982427 1129168395 /nfs/dbraw/zinc/16/83/95/1129168395.db2.gz LKBQIBXXGFUSOQ-JTQLQIEISA-N 0 1 298.308 3.882 20 0 CHADMN Cc1ccc(-c2cc(-c3nc(-c4ccoc4)no3)[nH]n2)cc1 ZINC000445454908 1124084821 /nfs/dbraw/zinc/08/48/21/1124084821.db2.gz BDQMZKKFGFBRIG-UHFFFAOYSA-N 0 1 292.298 3.695 20 0 CHADMN CCC[C@@H](N[C@H](C)c1ccnn1C)c1ccsc1 ZINC000866613868 1124088196 /nfs/dbraw/zinc/08/81/96/1124088196.db2.gz JRDFMJMGJYZHCS-DGCLKSJQSA-N 0 1 263.410 3.674 20 0 CHADMN Cc1nc(C(C)C)sc1[C@@H](C)N[C@@H](C)c1ccnn1C ZINC000866612141 1124088268 /nfs/dbraw/zinc/08/82/68/1124088268.db2.gz CQVFMQVLTYQMRU-WDEREUQCSA-N 0 1 292.452 3.720 20 0 CHADMN Cc1csc([C@H](C)NC2([C@H]3CCCCO3)CCC2)n1 ZINC000866622749 1124091334 /nfs/dbraw/zinc/09/13/34/1124091334.db2.gz ICZOMIBPZIKFLD-QWHCGFSZSA-N 0 1 280.437 3.594 20 0 CHADMN Cc1nc([C@@H](C)NC2([C@H]3CCCCO3)CCC2)c(C)s1 ZINC000866623229 1124091590 /nfs/dbraw/zinc/09/15/90/1124091590.db2.gz SHXDPNPJUWLQNI-BXUZGUMPSA-N 0 1 294.464 3.902 20 0 CHADMN C[N@@H+](Cc1ccccn1)[C@H]1CCc2ccc(Cl)cc21 ZINC000445577444 1124092502 /nfs/dbraw/zinc/09/25/02/1124092502.db2.gz QVARZMKHFITLIX-INIZCTEOSA-N 0 1 272.779 3.854 20 0 CHADMN CN(Cc1ccccn1)[C@H]1CCc2ccc(Cl)cc21 ZINC000445577444 1124092505 /nfs/dbraw/zinc/09/25/05/1124092505.db2.gz QVARZMKHFITLIX-INIZCTEOSA-N 0 1 272.779 3.854 20 0 CHADMN CCc1ccccc1CSc1nc(-c2cccnc2)n[nH]1 ZINC000445606446 1124093259 /nfs/dbraw/zinc/09/32/59/1124093259.db2.gz BIWSMJSUICICFT-UHFFFAOYSA-N 0 1 296.399 3.721 20 0 CHADMN COC[C@H](CC(C)(C)C)NCc1nc2cc(F)ccc2o1 ZINC000634985324 1129168435 /nfs/dbraw/zinc/16/84/35/1129168435.db2.gz QWUUJEAYCAVLPU-LBPRGKRZSA-N 0 1 294.370 3.508 20 0 CHADMN CSC[C@@H]1CCCN1Cc1cc(F)ccc1Cl ZINC000445814270 1124102158 /nfs/dbraw/zinc/10/21/58/1124102158.db2.gz UKRRYKFGXSZQGQ-LBPRGKRZSA-N 0 1 273.804 3.807 20 0 CHADMN CC[C@H](c1ccccc1)N1CCc2ncsc2C1 ZINC000445838998 1124104135 /nfs/dbraw/zinc/10/41/35/1124104135.db2.gz DWDZTVVPGWZCNR-CQSZACIVSA-N 0 1 258.390 3.653 20 0 CHADMN CCc1nnc(SCc2cccc(Cl)c2Cl)[nH]1 ZINC000446057648 1124108756 /nfs/dbraw/zinc/10/87/56/1124108756.db2.gz ABTCLWNVXYHTJH-UHFFFAOYSA-N 0 1 288.203 3.966 20 0 CHADMN Fc1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1F ZINC000446149492 1124109823 /nfs/dbraw/zinc/10/98/23/1124109823.db2.gz LSTNPUBGKNJMSF-UHFFFAOYSA-N 0 1 299.202 3.922 20 0 CHADMN CCc1nc(C)c(CN2CCc3c(C)cc(C)cc3C2)o1 ZINC000428438276 1124112374 /nfs/dbraw/zinc/11/23/74/1124112374.db2.gz JPJINZMEPOEVSM-UHFFFAOYSA-N 0 1 284.403 3.721 20 0 CHADMN Cc1ccc(NC(=O)CN2CCC[C@@H]2C(C)(C)C)c(F)c1 ZINC000525273938 1124119621 /nfs/dbraw/zinc/11/96/21/1124119621.db2.gz OHDXEJGVYNBCNH-OAHLLOKOSA-N 0 1 292.398 3.583 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@@H]1COCc2ccccc21 ZINC000428451096 1124119897 /nfs/dbraw/zinc/11/98/97/1124119897.db2.gz YBQJDPAJXYTGPM-ZWKOTPCHSA-N 0 1 295.382 3.544 20 0 CHADMN CC(C)[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000446726456 1124120355 /nfs/dbraw/zinc/12/03/55/1124120355.db2.gz OTTPVPRDKWWFOV-STQMWFEESA-N 0 1 294.826 3.645 20 0 CHADMN CC(C)[C@H]1CCN([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000446718634 1124120551 /nfs/dbraw/zinc/12/05/51/1124120551.db2.gz ZNHPZRZRWJAGEM-HOCLYGCPSA-N 0 1 299.418 3.699 20 0 CHADMN CC(C)[C@@H]1CCN(Cc2ncc(-c3cccs3)o2)C1 ZINC000446729147 1124120583 /nfs/dbraw/zinc/12/05/83/1124120583.db2.gz ODJVQQOYFRUNSG-GFCCVEGCSA-N 0 1 276.405 3.881 20 0 CHADMN Fc1cccc(Cl)c1CCCN1CCOCC2(CC2)C1 ZINC000446750903 1124121203 /nfs/dbraw/zinc/12/12/03/1124121203.db2.gz AOOWCZHLIGNKAH-UHFFFAOYSA-N 0 1 297.801 3.524 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CC[C@](C)(c3ccccc3)C2)n1 ZINC000446738148 1124121423 /nfs/dbraw/zinc/12/14/23/1124121423.db2.gz FMTVADBZFANNSU-KDOFPFPSSA-N 0 1 299.418 3.918 20 0 CHADMN C[C@@H]1CN(Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC000446781783 1124123013 /nfs/dbraw/zinc/12/30/13/1124123013.db2.gz AGJMBXSGDRZJBD-GHMZBOCLSA-N 0 1 252.427 3.528 20 0 CHADMN CC(C)N(Cc1nc(C2CCCC2)no1)CC1CCC1 ZINC000193208565 1124124108 /nfs/dbraw/zinc/12/41/08/1124124108.db2.gz PQPAJOWFKHLFDV-UHFFFAOYSA-N 0 1 277.412 3.738 20 0 CHADMN CCc1ccc(-c2noc(CN3C[C@H](C)C[C@@H]3C)n2)cc1 ZINC000525407717 1124126990 /nfs/dbraw/zinc/12/69/90/1124126990.db2.gz GTYKGDMPJHYBAM-OLZOCXBDSA-N 0 1 285.391 3.529 20 0 CHADMN Cc1nc(C(C)C)oc1CN(C)CCOc1ccccc1 ZINC000428457173 1124127966 /nfs/dbraw/zinc/12/79/66/1124127966.db2.gz JKPCSIDHEWUZEN-UHFFFAOYSA-N 0 1 288.391 3.617 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1csc(-c2ccco2)n1 ZINC000525423374 1124128045 /nfs/dbraw/zinc/12/80/45/1124128045.db2.gz SRGAEAKLVSCKSI-WDEREUQCSA-N 0 1 262.378 3.633 20 0 CHADMN FC1(F)CCC(N[C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000446928535 1124128612 /nfs/dbraw/zinc/12/86/12/1124128612.db2.gz GPAOYESNKFCSIV-CQSZACIVSA-N 0 1 291.345 3.667 20 0 CHADMN Clc1cncc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000621321853 1129167860 /nfs/dbraw/zinc/16/78/60/1129167860.db2.gz AWEFDCDMCJIYAU-GOEBONIOSA-N 0 1 294.826 3.516 20 0 CHADMN c1ccc2c(c1)CC[C@H](CSCc1n[nH]c(C3CC3)n1)C2 ZINC000447054955 1124130642 /nfs/dbraw/zinc/13/06/42/1124130642.db2.gz RBDDEMJTPXFVKZ-LBPRGKRZSA-N 0 1 299.443 3.720 20 0 CHADMN Cc1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c(Cl)c1 ZINC000447128847 1124134468 /nfs/dbraw/zinc/13/44/68/1124134468.db2.gz MKXLVVUOVNBNJI-ZDUSSCGKSA-N 0 1 279.811 3.649 20 0 CHADMN COCC1CCN(Cc2cc(F)cc(C)c2Cl)CC1 ZINC001238776109 1131244269 /nfs/dbraw/zinc/24/42/69/1131244269.db2.gz GTRPPYCPVMCBCD-UHFFFAOYSA-N 0 1 285.790 3.646 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN(C)CCc1ccccn1 ZINC001238779620 1131244760 /nfs/dbraw/zinc/24/47/60/1131244760.db2.gz CJFGWFWREWCVFP-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN Cc1cc(F)cc(C[N@@H+](C)CCc2cccnc2)c1Cl ZINC001238781160 1131245786 /nfs/dbraw/zinc/24/57/86/1131245786.db2.gz LFEUFJVYSMHPRN-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN Cc1cc(F)cc(CN(C)CCc2cccnc2)c1Cl ZINC001238781160 1131245792 /nfs/dbraw/zinc/24/57/92/1131245792.db2.gz LFEUFJVYSMHPRN-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@H+]1CCCC[C@](C)(O)C1 ZINC001238781773 1131246439 /nfs/dbraw/zinc/24/64/39/1131246439.db2.gz URLWWTKSBPDFCL-HNNXBMFYSA-N 0 1 285.790 3.524 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@@H+]1CC[C@H](C)[C@@](C)(O)CC1 ZINC001238780794 1131246522 /nfs/dbraw/zinc/24/65/22/1131246522.db2.gz MAYYLOVGCMCTAG-LRDDRELGSA-N 0 1 299.817 3.770 20 0 CHADMN CCCO[C@@H]1CCN(Cc2c(C)cc(F)cc2Cl)C1 ZINC001238785399 1131247480 /nfs/dbraw/zinc/24/74/80/1131247480.db2.gz PTXOMURDVCPGTO-CYBMUJFWSA-N 0 1 285.790 3.788 20 0 CHADMN COC(=O)c1nc2ccc(-c3ccc(C4CC4)cc3)cc2[nH]1 ZINC001238833954 1131252504 /nfs/dbraw/zinc/25/25/04/1131252504.db2.gz NPEUSETUODCCRX-UHFFFAOYSA-N 0 1 292.338 3.894 20 0 CHADMN CC(C)Oc1cc(CN2CCC[C@H](C)[C@H]2C)c(F)cn1 ZINC001238804586 1131248833 /nfs/dbraw/zinc/24/88/33/1131248833.db2.gz PQMLANROALIPQL-QWHCGFSZSA-N 0 1 280.387 3.628 20 0 CHADMN CC[C@@H]1CCN(Cc2cc(Cl)c(OC)cc2F)C1 ZINC001238802538 1131248902 /nfs/dbraw/zinc/24/89/02/1131248902.db2.gz SOKURLRMVVSAKV-SNVBAGLBSA-N 0 1 271.763 3.720 20 0 CHADMN COc1cc(F)c(CN2C[C@H](C)C[C@H](C)C2)cc1Cl ZINC001238794982 1131249594 /nfs/dbraw/zinc/24/95/94/1131249594.db2.gz RIPZTDWSRTVDTG-PHIMTYICSA-N 0 1 285.790 3.966 20 0 CHADMN CCCCc1cc(=O)n(-c2cccc(F)c2Cl)[nH]1 ZINC001245927969 1131249696 /nfs/dbraw/zinc/24/96/96/1131249696.db2.gz XUZLOTFKHMHURR-UHFFFAOYSA-N 0 1 268.719 3.713 20 0 CHADMN CC(C)Oc1cc(CN2CCCCC[C@H]2C)c(F)cn1 ZINC001238803740 1131250021 /nfs/dbraw/zinc/25/00/21/1131250021.db2.gz FUQCYGNPGAQPQU-CYBMUJFWSA-N 0 1 280.387 3.772 20 0 CHADMN Cc1nc[nH]c1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC001136235857 1131253665 /nfs/dbraw/zinc/25/36/65/1131253665.db2.gz DWHOLAQNPWGZDL-UHFFFAOYSA-N 0 1 291.310 3.870 20 0 CHADMN O=c1cc(CC2CCC2)[nH]n1Cc1ccc(Cl)cc1 ZINC001245938051 1131255543 /nfs/dbraw/zinc/25/55/43/1131255543.db2.gz YEYNWNJGOBUZRH-UHFFFAOYSA-N 0 1 276.767 3.633 20 0 CHADMN O=c1cc(-c2ccc(O)cc2)[nH]n1-c1ccc(Cl)cc1 ZINC001245942479 1131256063 /nfs/dbraw/zinc/25/60/63/1131256063.db2.gz WZCMMLXUOPVTFX-UHFFFAOYSA-N 0 1 286.718 3.604 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2cccc(N3CCCC3)c2)o1 ZINC001119777555 1131263961 /nfs/dbraw/zinc/26/39/61/1131263961.db2.gz SXIRELBRLVHYMK-AWEZNQCLSA-N 0 1 299.418 3.688 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CCC2CCCC2)CCO1 ZINC000525637709 1124451219 /nfs/dbraw/zinc/45/12/19/1124451219.db2.gz ZNGCVUXVMKDDCD-SFHVURJKSA-N 0 1 273.420 3.949 20 0 CHADMN CN(C(=O)c1c(Cl)[nH]nc1C1CC1)[C@@H]1CCC(C)(C)C1 ZINC000867946550 1124451548 /nfs/dbraw/zinc/45/15/48/1124451548.db2.gz IGBZVXADZDIFDP-SNVBAGLBSA-N 0 1 295.814 3.591 20 0 CHADMN CCN(Cc1cc(C)ncn1)[C@H](C)c1ccc(F)cc1 ZINC000428471996 1124454375 /nfs/dbraw/zinc/45/43/75/1124454375.db2.gz DHQGWHRNSQETDV-CYBMUJFWSA-N 0 1 273.355 3.507 20 0 CHADMN CC[C@]1(C)CN(C[C@@H](OC(C)C)c2ccccc2)CCO1 ZINC000428477765 1124459145 /nfs/dbraw/zinc/45/91/45/1124459145.db2.gz FCKAODZERSZVQY-QZTJIDSGSA-N 0 1 291.435 3.654 20 0 CHADMN CC[C@]1(C)CN(C[C@H](OC(C)C)c2ccccc2)CCO1 ZINC000428477768 1124459167 /nfs/dbraw/zinc/45/91/67/1124459167.db2.gz FCKAODZERSZVQY-ZWKOTPCHSA-N 0 1 291.435 3.654 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C)[C@@H](C)C2CCCCC2)c1 ZINC000447313599 1124460783 /nfs/dbraw/zinc/46/07/83/1124460783.db2.gz CBKVWIDYFWDVQO-ZDUSSCGKSA-N 0 1 299.418 3.912 20 0 CHADMN CC(C)c1ncsc1NC(=O)c1[nH]cnc1C(C)(C)C ZINC000868746878 1124483309 /nfs/dbraw/zinc/48/33/09/1124483309.db2.gz QAIVRGYISNTUPS-UHFFFAOYSA-N 0 1 292.408 3.539 20 0 CHADMN CCc1ccc(C2=CCN(CC3(F)CC3)CC2)cc1 ZINC000525992180 1124486087 /nfs/dbraw/zinc/48/60/87/1124486087.db2.gz BUHTVJHHNUGCBL-UHFFFAOYSA-N 0 1 259.368 3.840 20 0 CHADMN COc1ccc(CNCC2(F)CC2)c(OC2CCCC2)c1 ZINC000525996405 1124488458 /nfs/dbraw/zinc/48/84/58/1124488458.db2.gz VPEYNWXERFKOKY-UHFFFAOYSA-N 0 1 293.382 3.608 20 0 CHADMN C[C@H]1C[C@H](C)N1Cc1cnc(-c2cccs2)s1 ZINC000525996768 1124488903 /nfs/dbraw/zinc/48/89/03/1124488903.db2.gz HFPHNZOLKHZQPC-UWVGGRQHSA-N 0 1 264.419 3.854 20 0 CHADMN C[C@@H](NCc1cccc2cc[nH]c21)c1nc2c(s1)CCC2 ZINC000447567100 1124492074 /nfs/dbraw/zinc/49/20/74/1124492074.db2.gz ZDFXEZGGIOZDLL-LLVKDONJSA-N 0 1 297.427 3.964 20 0 CHADMN COC[C@@H](N[C@@H]1CCCc2occc21)c1ccc(F)cc1 ZINC000447584012 1124492251 /nfs/dbraw/zinc/49/22/51/1124492251.db2.gz DICBJRGEPGXKJW-HZPDHXFCSA-N 0 1 289.350 3.773 20 0 CHADMN CSc1cc(CN[C@H]2CCCc3occc32)ccn1 ZINC000447589835 1124494224 /nfs/dbraw/zinc/49/42/24/1124494224.db2.gz ZEZYVPIAVGBFJQ-ZDUSSCGKSA-N 0 1 274.389 3.564 20 0 CHADMN C[C@H](CN[C@@H](c1ncc[nH]1)c1cccnc1)C1CCCCC1 ZINC000526041342 1124502999 /nfs/dbraw/zinc/50/29/99/1124502999.db2.gz WENVVHASTMLAKE-RHSMWYFYSA-N 0 1 298.434 3.700 20 0 CHADMN [O-]c1cccc2c(NC[C@@H]3CC3(Cl)Cl)cc[nH+]c12 ZINC000795067621 1124504713 /nfs/dbraw/zinc/50/47/13/1124504713.db2.gz KQEVWLOJMXIINH-QMMMGPOBSA-N 0 1 283.158 3.546 20 0 CHADMN CN(C)Cc1ccc(-c2cc3ccccc3[nH]c2=O)cc1F ZINC001238884708 1131264597 /nfs/dbraw/zinc/26/45/97/1131264597.db2.gz ZLPDQULTVIUBJW-UHFFFAOYSA-N 0 1 296.345 3.808 20 0 CHADMN COc1cc(CN2CCC[C@H]2c2cc(C)no2)ccc1C ZINC000447726971 1124512725 /nfs/dbraw/zinc/51/27/25/1124512725.db2.gz AKJLBODUOGGNAN-HNNXBMFYSA-N 0 1 286.375 3.637 20 0 CHADMN C[C@H](N(C)Cc1cnc(C(F)(F)F)s1)C1(C)CC1 ZINC000447730973 1124513449 /nfs/dbraw/zinc/51/34/49/1124513449.db2.gz RMLAOZAAPVQQQZ-QMMMGPOBSA-N 0 1 278.343 3.782 20 0 CHADMN CC(C)(C)[C@@H]1CN(CCSc2ccccc2)CCO1 ZINC000447836385 1124532757 /nfs/dbraw/zinc/53/27/57/1124532757.db2.gz QDEOEBJIGMGGOM-HNNXBMFYSA-N 0 1 279.449 3.526 20 0 CHADMN CC(C)n1nccc1CN(C)[C@H]1CCCc2ccccc21 ZINC000526969418 1124533808 /nfs/dbraw/zinc/53/38/08/1124533808.db2.gz QTTAFQUNJTWMCD-SFHVURJKSA-N 0 1 283.419 3.973 20 0 CHADMN CO[C@@]1(C)C[C@H](NCc2ncc(C(C)(C)C)s2)C1(C)C ZINC000447942911 1124545585 /nfs/dbraw/zinc/54/55/85/1124545585.db2.gz IZJSVPKTCUKDOZ-ZBEGNZNMSA-N 0 1 296.480 3.734 20 0 CHADMN CS[C@H]1CC[C@@H](Nc2cc[nH+]c3c([O-])cccc23)C1 ZINC000795102707 1124549094 /nfs/dbraw/zinc/54/90/94/1124549094.db2.gz RLPRDKIQTNUFJC-MNOVXSKESA-N 0 1 274.389 3.636 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1ccn(-c2ccccc2F)n1 ZINC000527074486 1124549547 /nfs/dbraw/zinc/54/95/47/1124549547.db2.gz DPKIGAZQTYXOSC-UONOGXRCSA-N 0 1 287.382 3.632 20 0 CHADMN CC(C)c1nc(CNC[C@H]2CCCC3(CCC3)O2)cs1 ZINC001119963391 1131268846 /nfs/dbraw/zinc/26/88/46/1131268846.db2.gz GJJUYXPRMNXRDJ-CQSZACIVSA-N 0 1 294.464 3.848 20 0 CHADMN CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1F ZINC000527298537 1124566610 /nfs/dbraw/zinc/56/66/10/1124566610.db2.gz WFLNZAIEQJMRRY-LSDHHAIUSA-N 0 1 285.790 3.605 20 0 CHADMN COC[C@H](C)CN1CCc2c(Cl)c(Cl)ccc2C1 ZINC000527355823 1124574813 /nfs/dbraw/zinc/57/48/13/1124574813.db2.gz QSORATBKUGGREQ-SNVBAGLBSA-N 0 1 288.218 3.634 20 0 CHADMN Cc1cc(-c2cccc3nc[nH]c32)cnc1OCC(C)C ZINC001238923739 1131270998 /nfs/dbraw/zinc/27/09/98/1131270998.db2.gz RTFBPFYFPAQCIG-UHFFFAOYSA-N 0 1 281.359 3.968 20 0 CHADMN O=C(CCCF)Nc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000871072241 1124597051 /nfs/dbraw/zinc/59/70/51/1124597051.db2.gz ORDRJQWLECCAEY-UHFFFAOYSA-N 0 1 290.125 3.558 20 0 CHADMN COc1cccc(F)c1CN[C@@H]1CCc2ccc(C)cc21 ZINC001120343942 1131273463 /nfs/dbraw/zinc/27/34/63/1131273463.db2.gz JBQSRLKDBIMBJW-QGZVFWFLSA-N 0 1 285.362 3.920 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1ccncc1F ZINC000449027185 1124633186 /nfs/dbraw/zinc/63/31/86/1124633186.db2.gz HSMRABBUWABNEA-LBPRGKRZSA-N 0 1 292.785 3.937 20 0 CHADMN COc1cc(CN(C)Cc2cccn2C)cc2ccccc21 ZINC000449030097 1124635214 /nfs/dbraw/zinc/63/52/14/1124635214.db2.gz QMPYLRBHZHGSEV-UHFFFAOYSA-N 0 1 294.398 3.819 20 0 CHADMN Fc1cnccc1C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449034026 1124636121 /nfs/dbraw/zinc/63/61/21/1124636121.db2.gz HNCUIESTRLKEBW-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN Fc1ccc(CCN(Cc2ccncc2F)C2CC2)cc1 ZINC000449037334 1124638580 /nfs/dbraw/zinc/63/85/80/1124638580.db2.gz YRJDZAICMSUUKI-UHFFFAOYSA-N 0 1 288.341 3.567 20 0 CHADMN c1cc(CN[C@H]2CCOc3ccccc32)n(C2CCCC2)n1 ZINC000449061950 1124640736 /nfs/dbraw/zinc/64/07/36/1124640736.db2.gz XLDRWUSDRPNFIN-KRWDZBQOSA-N 0 1 297.402 3.612 20 0 CHADMN CCN(CCc1cccs1)Cc1ncccc1Cl ZINC000528366106 1124649281 /nfs/dbraw/zinc/64/92/81/1124649281.db2.gz RNQNEQLTOWBTQE-UHFFFAOYSA-N 0 1 280.824 3.861 20 0 CHADMN Cc1ccc(CNCc2ccnn2C2CCCC2)s1 ZINC000449089631 1124649436 /nfs/dbraw/zinc/64/94/36/1124649436.db2.gz KZRJKBHYGPHIEF-UHFFFAOYSA-N 0 1 275.421 3.658 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1cccnc1C(F)(F)F ZINC000528392345 1124651366 /nfs/dbraw/zinc/65/13/66/1124651366.db2.gz BXIYAJLYMRQUJV-PHIMTYICSA-N 0 1 272.314 3.863 20 0 CHADMN C[C@H](O)C[C@H]1CCCCN1Cc1cccc(F)c1Cl ZINC000123879397 1124652360 /nfs/dbraw/zinc/65/23/60/1124652360.db2.gz VKPAXDIKRMEFNB-WCQYABFASA-N 0 1 285.790 3.605 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(C(F)(F)F)nc1)c1cccnc1 ZINC000871935153 1124653500 /nfs/dbraw/zinc/65/35/00/1124653500.db2.gz RTRCKSSNXJXEPF-GHMZBOCLSA-N 0 1 295.308 3.907 20 0 CHADMN C[C@H](c1ccccc1)n1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC000871948751 1124654365 /nfs/dbraw/zinc/65/43/65/1124654365.db2.gz BFAJDAMBJPVZLY-TZMCWYRMSA-N 0 1 270.376 3.772 20 0 CHADMN C[C@H](Cc1ccc(O)cc1)N(C)Cc1ncccc1Cl ZINC000528403211 1124654506 /nfs/dbraw/zinc/65/45/06/1124654506.db2.gz CFKOZLHVTALNRL-GFCCVEGCSA-N 0 1 290.794 3.504 20 0 CHADMN C[C@@H]1CCc2c(=O)n(-c3cccc4ccccc43)[nH]c21 ZINC000871946935 1124654595 /nfs/dbraw/zinc/65/45/95/1124654595.db2.gz KQIINOKNEBSHFE-BXUZGUMPSA-N 0 1 264.328 3.589 20 0 CHADMN CC(C)[C@@H]1CCc2[nH]n(C[C@H]3CCCC3(F)F)c(=O)c2C1 ZINC000871964322 1124655473 /nfs/dbraw/zinc/65/54/73/1124655473.db2.gz WOFGIGWZMCFYLP-JHJVBQTASA-N 0 1 298.377 3.692 20 0 CHADMN CC[C@@H](C)[C@@H](O)CNCc1cc(Cl)sc1Cl ZINC000449149939 1124656879 /nfs/dbraw/zinc/65/68/79/1124656879.db2.gz YBWPLJKRWKIMNN-APPZFPTMSA-N 0 1 282.236 3.552 20 0 CHADMN C/C(Cl)=C/CN1CCC(Nc2ccc(F)cc2)CC1 ZINC000528415210 1124656916 /nfs/dbraw/zinc/65/69/16/1124656916.db2.gz RQTPBODAJBEZKR-SDQBBNPISA-N 0 1 282.790 3.845 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cccc(O)c2F)c(C)c1 ZINC000872025285 1124658826 /nfs/dbraw/zinc/65/88/26/1124658826.db2.gz JUHHBWVTCVOBET-ZDUSSCGKSA-N 0 1 273.351 3.999 20 0 CHADMN CO[C@H](CN[C@H](C)c1cc(O)ccc1F)c1ccccc1 ZINC000872024106 1124659542 /nfs/dbraw/zinc/65/95/42/1124659542.db2.gz NENYFMXUDUVAPR-SJKOYZFVSA-N 0 1 289.350 3.570 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cc(O)ccc2F)cc1 ZINC000872029209 1124660375 /nfs/dbraw/zinc/66/03/75/1124660375.db2.gz PAMANTOGKUCDBT-RYUDHWBXSA-N 0 1 289.350 3.952 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cc(O)ccc2F)cc1 ZINC000872029208 1124660606 /nfs/dbraw/zinc/66/06/06/1124660606.db2.gz PAMANTOGKUCDBT-NWDGAFQWSA-N 0 1 289.350 3.952 20 0 CHADMN Clc1cccnc1CN1C[C@@H]2CCCCCC[C@H]21 ZINC000528421658 1124661909 /nfs/dbraw/zinc/66/19/09/1124661909.db2.gz ACJAJTSAFOZAFR-SWLSCSKDSA-N 0 1 264.800 3.890 20 0 CHADMN CC[C@@H](CCC(F)(F)F)Nc1cnn(-c2ccncc2)c1 ZINC000872057173 1124668391 /nfs/dbraw/zinc/66/83/91/1124668391.db2.gz CQTNVSHXSRPAAW-NSHDSACASA-N 0 1 298.312 3.800 20 0 CHADMN COCc1ccc([C@@H]2CCCN2C/C=C(\C)Cl)o1 ZINC000528449722 1124671609 /nfs/dbraw/zinc/67/16/09/1124671609.db2.gz DQRYGHXHBKFYNG-HJTPGIPUSA-N 0 1 269.772 3.706 20 0 CHADMN CC[C@@H](CCC(F)(F)F)N[C@H]1CCCC1(F)F ZINC000872069979 1124673005 /nfs/dbraw/zinc/67/30/05/1124673005.db2.gz AYVNWFPGXPLDPA-IUCAKERBSA-N 0 1 259.262 3.885 20 0 CHADMN Cc1cnc(CNCC2(c3ccc(F)cc3F)CC2)s1 ZINC000449216384 1124673309 /nfs/dbraw/zinc/67/33/09/1124673309.db2.gz RVYCKWZUZBJDAL-UHFFFAOYSA-N 0 1 294.370 3.551 20 0 CHADMN COCC[C@H](NCc1cccc2ccoc21)c1ccco1 ZINC000449231009 1124675568 /nfs/dbraw/zinc/67/55/68/1124675568.db2.gz NHGABJNLBJGNKC-HNNXBMFYSA-N 0 1 285.343 3.893 20 0 CHADMN Clc1cccnc1CN(C1CCC1)C1CCC1 ZINC000528511348 1124680869 /nfs/dbraw/zinc/68/08/69/1124680869.db2.gz FNMRAXUYTZJFHL-UHFFFAOYSA-N 0 1 250.773 3.642 20 0 CHADMN C/C(Cl)=C\CN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000528526139 1124682755 /nfs/dbraw/zinc/68/27/55/1124682755.db2.gz PKEBCDRGZAYLCG-KAMPRCONSA-N 0 1 291.822 3.983 20 0 CHADMN Cc1cccc(CN2CC[C@@H](CC(F)(F)F)C2)c1F ZINC000449282662 1124683069 /nfs/dbraw/zinc/68/30/69/1124683069.db2.gz IRDXKLWLLLADMX-NSHDSACASA-N 0 1 275.289 3.908 20 0 CHADMN C/C(Cl)=C/CN1CCCC[C@@H]1c1n[nH]c(C(C)C)n1 ZINC000528505134 1124684309 /nfs/dbraw/zinc/68/43/09/1124684309.db2.gz QLCDSIWPOURKMC-SEVUFMINSA-N 0 1 282.819 3.598 20 0 CHADMN Fc1ccc([C@@H](NCCC[C@H]2C=CCC2)c2ncc[nH]2)cc1 ZINC000872107569 1124685241 /nfs/dbraw/zinc/68/52/41/1124685241.db2.gz MUYVDAGVAKRZPR-WMLDXEAASA-N 0 1 299.393 3.974 20 0 CHADMN c1c[nH]c([C@H](NCCC[C@H]2C=CCC2)c2ccccc2)n1 ZINC000872107119 1124685377 /nfs/dbraw/zinc/68/53/77/1124685377.db2.gz KGUZUEOENDYREM-DOTOQJQBSA-N 0 1 281.403 3.835 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1cccc(OC(C)(C)C)c1 ZINC000872112015 1124685948 /nfs/dbraw/zinc/68/59/48/1124685948.db2.gz HBWPOUACGYOYFB-GFCCVEGCSA-N 0 1 287.407 3.746 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1cccc(OC(C)(C)C)c1 ZINC000872112017 1124686594 /nfs/dbraw/zinc/68/65/94/1124686594.db2.gz HBWPOUACGYOYFB-LBPRGKRZSA-N 0 1 287.407 3.746 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1cccc2ncccc12 ZINC000872124470 1124689673 /nfs/dbraw/zinc/68/96/73/1124689673.db2.gz NRRSVUVZDQADFS-LBPRGKRZSA-N 0 1 295.386 3.944 20 0 CHADMN Cc1cccc(CN2CCC(F)(F)[C@H](C)C2)c1F ZINC000449330085 1124690889 /nfs/dbraw/zinc/69/08/89/1124690889.db2.gz RPMCSPMYLJIGDU-LLVKDONJSA-N 0 1 257.299 3.611 20 0 CHADMN CC[C@H](N[C@@H](C)c1csc(C)n1)[C@H](O)c1ccccc1 ZINC000872134721 1124694061 /nfs/dbraw/zinc/69/40/61/1124694061.db2.gz YDTABFBZIUPJMM-HZUKXOBISA-N 0 1 290.432 3.614 20 0 CHADMN CCc1nocc1CN(C)Cc1cccc2ccoc21 ZINC000449343318 1124694248 /nfs/dbraw/zinc/69/42/48/1124694248.db2.gz JLSMXNXLZUVUCV-UHFFFAOYSA-N 0 1 270.332 3.615 20 0 CHADMN CC[C@H]1CCN1Cc1cnc(CCc2ccccc2)s1 ZINC000449341984 1124694855 /nfs/dbraw/zinc/69/48/55/1124694855.db2.gz YCPOHHALTFGJEC-HNNXBMFYSA-N 0 1 286.444 3.913 20 0 CHADMN C[C@H](C[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C)CC(C)(C)C ZINC000872161287 1124696538 /nfs/dbraw/zinc/69/65/38/1124696538.db2.gz RNLIVNMQOPTLAO-FQUUOJAGSA-N 0 1 269.429 3.632 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@H](C)CCc2ccc(F)cc2)n1 ZINC000872171338 1124698221 /nfs/dbraw/zinc/69/82/21/1124698221.db2.gz RUPXNGIOHPGPIN-BXUZGUMPSA-N 0 1 291.370 3.601 20 0 CHADMN CC[C@H](Cc1cccc(C)c1)c1nc([C@@H](N)C(C)C)no1 ZINC000872170216 1124698596 /nfs/dbraw/zinc/69/85/96/1124698596.db2.gz FPFRZPQMCCFWGW-CABCVRRESA-N 0 1 287.407 3.770 20 0 CHADMN c1cc(CN2CC3(CCC3)[C@@H]2C2CC2)n(C2CCCC2)n1 ZINC000449337642 1124699429 /nfs/dbraw/zinc/69/94/29/1124699429.db2.gz QNNLWYYDKUEURZ-KRWDZBQOSA-N 0 1 285.435 3.763 20 0 CHADMN CC1(F)CC(NCc2c(F)cccc2Br)C1 ZINC000449375043 1124706221 /nfs/dbraw/zinc/70/62/21/1124706221.db2.gz DRYJJNHIAFZDHC-UHFFFAOYSA-N 0 1 290.151 3.568 20 0 CHADMN C[C@@H](CCc1ccc(C(F)(F)F)cc1)NC(CF)CF ZINC000449379979 1124717303 /nfs/dbraw/zinc/71/73/03/1124717303.db2.gz LIGJWGWNEFJGNA-JTQLQIEISA-N 0 1 295.295 3.924 20 0 CHADMN C[C@H](Cc1ccccc1)CN1CC(C)(C)[C@H]1c1nccn1C ZINC000449416850 1124724434 /nfs/dbraw/zinc/72/44/34/1124724434.db2.gz VQRLDAUBJNJTPA-NVXWUHKLSA-N 0 1 297.446 3.682 20 0 CHADMN C[C@H](N[C@@H](C)C(C)(F)F)C1CCC(F)(F)CC1 ZINC000449416877 1124725975 /nfs/dbraw/zinc/72/59/75/1124725975.db2.gz VYGDYVDEQSOJBX-IUCAKERBSA-N 0 1 255.299 3.834 20 0 CHADMN CC1=C[C@H](C)C[C@@H](CN2CC(C)(C)[C@@H]2c2nccn2C)C1 ZINC000449411241 1124729977 /nfs/dbraw/zinc/72/99/77/1124729977.db2.gz AQZYGRNGCRKURD-IMJJTQAJSA-N 0 1 287.451 3.795 20 0 CHADMN CCCCCc1cc(C(=O)N2CCCC(C)(C)CC2)n[nH]1 ZINC001137066783 1124734287 /nfs/dbraw/zinc/73/42/87/1124734287.db2.gz DHVIDFOFNCZDDK-UHFFFAOYSA-N 0 1 291.439 3.795 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(N3CCCC3)o2)cc1 ZINC001137066374 1124734427 /nfs/dbraw/zinc/73/44/27/1124734427.db2.gz OPFKBNNWQGFDRZ-UHFFFAOYSA-N 0 1 284.403 3.820 20 0 CHADMN c1sc(CNCc2cccc3ncccc23)nc1C1CC1 ZINC000873079010 1124736433 /nfs/dbraw/zinc/73/64/33/1124736433.db2.gz ASTWJDRWYXWQHB-UHFFFAOYSA-N 0 1 295.411 3.859 20 0 CHADMN CCCCOc1ncc(-c2ccc3cncn3c2)cc1C ZINC001238965396 1131280770 /nfs/dbraw/zinc/28/07/70/1131280770.db2.gz RIQNGBKXQNWTJY-UHFFFAOYSA-N 0 1 281.359 3.884 20 0 CHADMN CCCc1cccc(CN[C@H](C)c2nccnc2C)c1 ZINC000873187125 1124746537 /nfs/dbraw/zinc/74/65/37/1124746537.db2.gz MACCMJFJMMYAGU-CQSZACIVSA-N 0 1 269.392 3.588 20 0 CHADMN CCn1cc(CN[C@@H](c2ccc(F)cc2F)C(C)C)cn1 ZINC000150877594 1124751724 /nfs/dbraw/zinc/75/17/24/1124751724.db2.gz GFVXCNMCTLQDIU-MRXNPFEDSA-N 0 1 293.361 3.668 20 0 CHADMN CC/C=C\CNCc1ccc(Sc2ccccn2)o1 ZINC000449464882 1124759236 /nfs/dbraw/zinc/75/92/36/1124759236.db2.gz ZWZYIFZXLDUPJK-HYXAFXHYSA-N 0 1 274.389 3.882 20 0 CHADMN CCO[C@@H]1CCN(Cc2ccc(OC)cc2Cl)C[C@@H]1C ZINC000449490982 1124759281 /nfs/dbraw/zinc/75/92/81/1124759281.db2.gz DRHHQFITELNTNC-BLLLJJGKSA-N 0 1 297.826 3.596 20 0 CHADMN CCO[C@@H]1CCN(Cc2ccsc2Cl)C[C@@H]1C ZINC000449493131 1124760743 /nfs/dbraw/zinc/76/07/43/1124760743.db2.gz DEGNSKGMRWVWCJ-CMPLNLGQSA-N 0 1 273.829 3.648 20 0 CHADMN CC1(C)Cc2occc2[C@H](NCc2cc(N)cc(F)c2)C1 ZINC000873288545 1124762782 /nfs/dbraw/zinc/76/27/82/1124762782.db2.gz IDAZXHLIFBYBSF-OAHLLOKOSA-N 0 1 288.366 3.804 20 0 CHADMN ClC1(Cl)C[C@H]1CCN1CCC=C(c2cccnc2)C1 ZINC000823128020 1131416276 /nfs/dbraw/zinc/41/62/76/1131416276.db2.gz CFPLNIZHNUZDGN-CQSZACIVSA-N 0 1 297.229 3.755 20 0 CHADMN CC(C)[C@@H](NCc1cccnc1)c1ccc(F)cc1F ZINC000150879735 1124763150 /nfs/dbraw/zinc/76/31/50/1124763150.db2.gz GDHVZAUOGJPJOB-MRXNPFEDSA-N 0 1 276.330 3.847 20 0 CHADMN COc1cccc(-c2nccc3c2ccn3C)c1C ZINC001238979356 1131284155 /nfs/dbraw/zinc/28/41/55/1131284155.db2.gz FRHJXOPWZJCCEA-UHFFFAOYSA-N 0 1 252.317 3.557 20 0 CHADMN COc1cccc(-c2ccc3nc[nH]c3c2C)c1C ZINC001238982794 1131285971 /nfs/dbraw/zinc/28/59/71/1131285971.db2.gz IHFZZYPSVLWAMS-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN Cc1nnc(-c2ccc(-c3nccc4[nH]ccc43)cc2)o1 ZINC001239011496 1131288930 /nfs/dbraw/zinc/28/89/30/1131288930.db2.gz LOWBVMRFTGKIBW-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN CN(C)C(=O)c1ccc(-c2cccc3nc[nH]c32)cc1Cl ZINC001239004722 1131289161 /nfs/dbraw/zinc/28/91/61/1131289161.db2.gz JWOJKUBLWJOJDR-UHFFFAOYSA-N 0 1 299.761 3.585 20 0 CHADMN Cc1nc2ccc(-c3ccc(-c4nnc(C)o4)cc3)cc2[nH]1 ZINC001239017905 1131289559 /nfs/dbraw/zinc/28/95/59/1131289559.db2.gz ODZFQESDAGKEHV-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN CC(C)=CCC[C@H](C)CC(=O)N1CCN(C(C)(C)C)CC1 ZINC001136344797 1131290958 /nfs/dbraw/zinc/29/09/58/1131290958.db2.gz VFUGNNUBOICFDW-INIZCTEOSA-N 0 1 294.483 3.702 20 0 CHADMN C[C@@H]1CC(F)(F)CCN1Cc1cnc2ccccc2c1 ZINC000528775818 1124801150 /nfs/dbraw/zinc/80/11/50/1124801150.db2.gz ZRVADUWYTDTFFU-GFCCVEGCSA-N 0 1 276.330 3.854 20 0 CHADMN CCc1ncc(CNCc2cccc3c(OC)cccc23)o1 ZINC000449607820 1124814859 /nfs/dbraw/zinc/81/48/59/1124814859.db2.gz CJBYODZZVMQICK-UHFFFAOYSA-N 0 1 296.370 3.689 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]1c1cccc(F)c1)c1ncccc1F ZINC000528824693 1124821817 /nfs/dbraw/zinc/82/18/17/1124821817.db2.gz PVSHAAMVHGZHHM-VZJVUDMVSA-N 0 1 274.314 3.567 20 0 CHADMN CO[C@@H]1C[C@H](N(C)Cc2cnc(C(C)C)s2)C12CCC2 ZINC000449630394 1124824465 /nfs/dbraw/zinc/82/44/65/1124824465.db2.gz HTYTYLVYZWMFSS-UONOGXRCSA-N 0 1 294.464 3.656 20 0 CHADMN CCCc1ncc(CNC/C=C/c2ccc(F)cc2)o1 ZINC000449615374 1124828671 /nfs/dbraw/zinc/82/86/71/1124828671.db2.gz YPUUCJHHORQGIZ-HWKANZROSA-N 0 1 274.339 3.569 20 0 CHADMN c1coc([C@@H]2N(Cc3cccc4c[nH]nc43)CC23CCC3)c1 ZINC000449637203 1124831614 /nfs/dbraw/zinc/83/16/14/1124831614.db2.gz YTAGJYCHCKFSNK-KRWDZBQOSA-N 0 1 293.370 3.883 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccccn2)ccc1Cl ZINC000449690975 1124844848 /nfs/dbraw/zinc/84/48/48/1124844848.db2.gz STKUMRFIAULUFB-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN Fc1ccc(/C=C/CNCc2cnc(C3CC3)o2)c(F)c1 ZINC000449709250 1124845504 /nfs/dbraw/zinc/84/55/04/1124845504.db2.gz YMKOHWRNYOJHHE-OWOJBTEDSA-N 0 1 290.313 3.633 20 0 CHADMN COc1cc(F)cc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000449732957 1124851256 /nfs/dbraw/zinc/85/12/56/1124851256.db2.gz MZKCQDUMLMBYEE-MRXNPFEDSA-N 0 1 295.423 3.553 20 0 CHADMN CC(F)(F)CCC(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC000874691591 1124851943 /nfs/dbraw/zinc/85/19/43/1124851943.db2.gz KFWNVZUVCTWQJQ-UHFFFAOYSA-N 0 1 287.697 3.590 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@@]3(CCSC3)C2)s1 ZINC000449734193 1124852269 /nfs/dbraw/zinc/85/22/69/1124852269.db2.gz RIASHYTZMGTENX-OAHLLOKOSA-N 0 1 296.505 3.986 20 0 CHADMN Cc1cc(C)c(CNCc2cnc(C3CCC3)s2)cn1 ZINC000449735189 1124853108 /nfs/dbraw/zinc/85/31/08/1124853108.db2.gz QDNALBZUAHZPAA-UHFFFAOYSA-N 0 1 287.432 3.712 20 0 CHADMN COCc1cnc(CN(C(C)C)C2CC(C)(C)C2)s1 ZINC000449780565 1124871113 /nfs/dbraw/zinc/87/11/13/1124871113.db2.gz GMNDYSBBOBEMQQ-UHFFFAOYSA-N 0 1 282.453 3.689 20 0 CHADMN OCCC[C@H]1CCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000449792853 1124875396 /nfs/dbraw/zinc/87/53/96/1124875396.db2.gz UYANONIQFDCTCP-NSHDSACASA-N 0 1 288.218 3.588 20 0 CHADMN CN(Cc1ccc(Cl)nc1)Cc1ccc2ncccc2c1 ZINC000125730232 1124921086 /nfs/dbraw/zinc/92/10/86/1124921086.db2.gz BANGJOBAPAVEPE-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN CCN(C/C=C/Cl)[C@@H](C)c1cccc(OC)c1 ZINC000054340004 1124941897 /nfs/dbraw/zinc/94/18/97/1124941897.db2.gz YWNQXQRXJXKDQV-LZGFCCKTSA-N 0 1 253.773 3.831 20 0 CHADMN CC(=O)c1cccc(CN(C)Cc2ccccc2C)c1 ZINC000450217436 1124949004 /nfs/dbraw/zinc/94/90/04/1124949004.db2.gz RJSZWZWVNCWKRR-UHFFFAOYSA-N 0 1 267.372 3.830 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2ccc(Cl)nn2)cc1 ZINC000876571615 1124961406 /nfs/dbraw/zinc/96/14/06/1124961406.db2.gz ARSCNICWANLJQL-LBPRGKRZSA-N 0 1 275.783 3.631 20 0 CHADMN CC(C)[C@H]1N(Cc2ccncc2Cl)CC1(C)C ZINC000529592358 1125007759 /nfs/dbraw/zinc/00/77/59/1125007759.db2.gz VLLWQLGVJPZWTC-CYBMUJFWSA-N 0 1 252.789 3.601 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCCC(=O)c2ccccc2)on1 ZINC000450267336 1124963698 /nfs/dbraw/zinc/96/36/98/1124963698.db2.gz AOALGAVGOLSKMT-INIZCTEOSA-N 0 1 298.386 3.783 20 0 CHADMN Brc1ncccc1CN1CCC[C@@H]1C1CCC1 ZINC000876659821 1124968881 /nfs/dbraw/zinc/96/88/81/1124968881.db2.gz GZLWPISAFIDHGU-CYBMUJFWSA-N 0 1 295.224 3.609 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1ccc(Cl)nn1 ZINC000876775273 1124977039 /nfs/dbraw/zinc/97/70/39/1124977039.db2.gz SFOQTNNFHXSCIG-WCQYABFASA-N 0 1 267.804 3.531 20 0 CHADMN Cc1cccnc1[C@@H](N[C@@H](C)c1cccnc1)C(C)C ZINC000120785589 1124979382 /nfs/dbraw/zinc/97/93/82/1124979382.db2.gz JPNNVFFTDQXRMR-HOCLYGCPSA-N 0 1 269.392 3.833 20 0 CHADMN CCC[C@@H](NCc1cc(OC)cnc1F)c1ccccc1 ZINC000876883467 1124986987 /nfs/dbraw/zinc/98/69/87/1124986987.db2.gz CLHAPLNNGNVRAQ-MRXNPFEDSA-N 0 1 288.366 3.860 20 0 CHADMN CCOc1cc(CN2CCCC3(CC3)C2)c(F)cc1OC ZINC000529546921 1124989253 /nfs/dbraw/zinc/98/92/53/1124989253.db2.gz XKLXXHNDZVWQJJ-UHFFFAOYSA-N 0 1 293.382 3.609 20 0 CHADMN CNc1ccc(-c2ccc(C3=NCCC3)cc2)c(F)n1 ZINC001239409942 1131323559 /nfs/dbraw/zinc/32/35/59/1131323559.db2.gz OEYVLWQTMZOCNA-UHFFFAOYSA-N 0 1 269.323 3.512 20 0 CHADMN COc1cnc(F)c(CN[C@@H](c2ccccc2)C(C)C)c1 ZINC000876909170 1124990479 /nfs/dbraw/zinc/99/04/79/1124990479.db2.gz XFGGZJMRTCQQQM-MRXNPFEDSA-N 0 1 288.366 3.716 20 0 CHADMN COc1ccc(CN(C)Cc2cccc(C(C)=O)c2)cc1C ZINC000450348444 1124990902 /nfs/dbraw/zinc/99/09/02/1124990902.db2.gz KWRLKMFUQUBMME-UHFFFAOYSA-N 0 1 297.398 3.838 20 0 CHADMN CCOc1ccccc1CNCc1cccc(Cl)c1N ZINC000876961373 1124993086 /nfs/dbraw/zinc/99/30/86/1124993086.db2.gz GQTAJWDWSHOHCY-UHFFFAOYSA-N 0 1 290.794 3.611 20 0 CHADMN CC(C)(C)c1nc[nH]c1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC001142230084 1124995845 /nfs/dbraw/zinc/99/58/45/1124995845.db2.gz DLOMSHRBXXUOMV-ZFWWWQNUSA-N 0 1 275.440 3.862 20 0 CHADMN Cc1ccccc1[C@H](NCc1ccc(Cl)nn1)C1CC1 ZINC000877029237 1125000240 /nfs/dbraw/zinc/00/02/40/1125000240.db2.gz WOZADFMOMWZBKO-MRXNPFEDSA-N 0 1 287.794 3.679 20 0 CHADMN Cc1ccc(O[C@H](C)CNCc2nc(Cl)cs2)cc1 ZINC000877067287 1125005496 /nfs/dbraw/zinc/00/54/96/1125005496.db2.gz FVUAFJQDTLRXBE-LLVKDONJSA-N 0 1 296.823 3.662 20 0 CHADMN Cc1scc(CNCc2ccc(C#N)cc2F)c1C ZINC000399832468 1125020716 /nfs/dbraw/zinc/02/07/16/1125020716.db2.gz OICZCVIEXYFZQO-UHFFFAOYSA-N 0 1 274.364 3.666 20 0 CHADMN CC(=O)c1ccc(CN2Cc3ccccc3C[C@@H]2C)cc1 ZINC000450435747 1125024355 /nfs/dbraw/zinc/02/43/55/1125024355.db2.gz IHKIEHBIVJZHOZ-AWEZNQCLSA-N 0 1 279.383 3.836 20 0 CHADMN Cc1ccc([C@H]2CCC[C@@H]2N(C)Cc2cnns2)cc1 ZINC000450437208 1125024409 /nfs/dbraw/zinc/02/44/09/1125024409.db2.gz IBBWALZVOWLBQD-CVEARBPZSA-N 0 1 287.432 3.615 20 0 CHADMN Cc1ccc([C@@H]2CCC[C@H]2N(C)Cc2cnns2)cc1 ZINC000450437211 1125025086 /nfs/dbraw/zinc/02/50/86/1125025086.db2.gz IBBWALZVOWLBQD-JKSUJKDBSA-N 0 1 287.432 3.615 20 0 CHADMN CC(=O)c1cccc(CN2Cc3ccccc3C[C@@H]2C)c1 ZINC000450442043 1125026167 /nfs/dbraw/zinc/02/61/67/1125026167.db2.gz SDKMHSMGCYOQFN-AWEZNQCLSA-N 0 1 279.383 3.836 20 0 CHADMN FC(F)Oc1cccc(CN2CC(Cc3ccco3)C2)c1 ZINC000529648392 1125030265 /nfs/dbraw/zinc/03/02/65/1125030265.db2.gz BIVWZUVZDJNNQE-UHFFFAOYSA-N 0 1 293.313 3.556 20 0 CHADMN c1coc(CC2CN(Cc3ccc4occc4c3)C2)c1 ZINC000529648992 1125031040 /nfs/dbraw/zinc/03/10/40/1125031040.db2.gz MDWIHDPZTPFTMP-UHFFFAOYSA-N 0 1 267.328 3.700 20 0 CHADMN CCCc1ccc([C@@H](NCc2cnns2)C(C)C)cc1 ZINC000450505278 1125047686 /nfs/dbraw/zinc/04/76/86/1125047686.db2.gz CDSLVKWBOJYJDR-INIZCTEOSA-N 0 1 289.448 3.978 20 0 CHADMN Cc1nc(C(C)C)sc1[C@H](C)N(C)CCOC(C)C ZINC000121115909 1125049620 /nfs/dbraw/zinc/04/96/20/1125049620.db2.gz WWJDYZVNSXDGED-ZDUSSCGKSA-N 0 1 284.469 3.993 20 0 CHADMN FC1(F)C[C@@]12CCN(Cc1cc3c(ccnc3Cl)o1)C2 ZINC000877616081 1125054377 /nfs/dbraw/zinc/05/43/77/1125054377.db2.gz CKRHPTJLDQLGTD-CYBMUJFWSA-N 0 1 298.720 3.712 20 0 CHADMN CC(C)C[C@@H]1CCCCN1Cc1nnc(C2CC2)s1 ZINC000450585950 1125063192 /nfs/dbraw/zinc/06/31/92/1125063192.db2.gz QTEGOOXTWUXVGZ-ZDUSSCGKSA-N 0 1 279.453 3.816 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cncc3ccccc32)s1 ZINC000877685002 1125063281 /nfs/dbraw/zinc/06/32/81/1125063281.db2.gz HQWUYWUOSQMXFB-LLVKDONJSA-N 0 1 283.400 3.851 20 0 CHADMN O[C@@H]1C[C@H](c2ccc(F)c(F)c2)N(CC2=CCCCC2)C1 ZINC000450627396 1125070152 /nfs/dbraw/zinc/07/01/52/1125070152.db2.gz YCSRBZYVSCVICU-RHSMWYFYSA-N 0 1 293.357 3.573 20 0 CHADMN CC(C)(C)c1cnc(CN2CC[C@H]3CSC[C@H]3C2)s1 ZINC000877738748 1125071567 /nfs/dbraw/zinc/07/15/67/1125071567.db2.gz PUZNHMWLYKVARG-NWDGAFQWSA-N 0 1 296.505 3.626 20 0 CHADMN FC(F)(F)[C@@H]1CC=CC[C@H]1NCc1cc(C2CC2)no1 ZINC000877761635 1125076659 /nfs/dbraw/zinc/07/66/59/1125076659.db2.gz ZNKKTAPKRUKLNI-VXGBXAGGSA-N 0 1 286.297 3.539 20 0 CHADMN CC(C)(C)C[C@H](NCc1cnns1)c1ccc(F)cc1 ZINC000450661135 1125079964 /nfs/dbraw/zinc/07/99/64/1125079964.db2.gz DBIOQLJONNVZPO-AWEZNQCLSA-N 0 1 293.411 3.944 20 0 CHADMN c1oc(C2CC2)nc1CN1CC[C@]2(CCc3ccccc32)C1 ZINC000877810309 1125084100 /nfs/dbraw/zinc/08/41/00/1125084100.db2.gz DBPUJXZRIGLXPZ-LJQANCHMSA-N 0 1 294.398 3.642 20 0 CHADMN Cc1cc(CN2CC[C@H](C(F)(F)F)O[C@H](C)C2)cs1 ZINC000877820412 1125087438 /nfs/dbraw/zinc/08/74/38/1125087438.db2.gz IWXIHHDFFSKACG-BXKDBHETSA-N 0 1 293.354 3.598 20 0 CHADMN Cc1nccnc1[C@@H](C)NC[C@@H](OC(C)C)c1ccccc1 ZINC000877828465 1125088349 /nfs/dbraw/zinc/08/83/49/1125088349.db2.gz KJGHHEHSWQAOCJ-NVXWUHKLSA-N 0 1 299.418 3.602 20 0 CHADMN Clc1cccc(CC2CCN(Cc3cc[nH]n3)CC2)c1 ZINC001137125164 1125092625 /nfs/dbraw/zinc/09/26/25/1125092625.db2.gz RLHUVKOLRYCLFF-UHFFFAOYSA-N 0 1 289.810 3.518 20 0 CHADMN Cc1cc(C)c(C(=O)Nc2c(C)n[nH]c2C(F)F)s1 ZINC000632259735 1125100608 /nfs/dbraw/zinc/10/06/08/1125100608.db2.gz SNCIAEZYUFBREE-UHFFFAOYSA-N 0 1 285.319 3.586 20 0 CHADMN C[C@@H]1c2cccn2CCN1CC[C@H]1CCCC1(F)F ZINC000877922220 1125102445 /nfs/dbraw/zinc/10/24/45/1125102445.db2.gz AWNPXEBCJSQSOO-CHWSQXEVSA-N 0 1 268.351 3.690 20 0 CHADMN COC(=O)c1cccc(CN2CCCC3(CC3)C2)c1Cl ZINC000450753737 1125102525 /nfs/dbraw/zinc/10/25/25/1125102525.db2.gz IPXIKEIVLNBDRL-UHFFFAOYSA-N 0 1 293.794 3.503 20 0 CHADMN C(=C\c1ccccc1)\CCSc1nc(C2CC2)n[nH]1 ZINC000450758441 1125103825 /nfs/dbraw/zinc/10/38/25/1125103825.db2.gz OBDSLJPMNBDQNW-YWEYNIOJSA-N 0 1 271.389 3.878 20 0 CHADMN C(=C\c1ccccc1)\CCSc1n[nH]c(C2CC2)n1 ZINC000450758441 1125103831 /nfs/dbraw/zinc/10/38/31/1125103831.db2.gz OBDSLJPMNBDQNW-YWEYNIOJSA-N 0 1 271.389 3.878 20 0 CHADMN Cc1ccc(-c2cccc(CN(C)C)c2F)c(C)n1 ZINC001239470428 1131332137 /nfs/dbraw/zinc/33/21/37/1131332137.db2.gz MHSMYOUDQGDOHX-UHFFFAOYSA-N 0 1 258.340 3.566 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)Cc2nc3c(o2)CCCC3)C1 ZINC000877966490 1125107638 /nfs/dbraw/zinc/10/76/38/1125107638.db2.gz MTNYWDVQXYJWPC-QWHCGFSZSA-N 0 1 262.397 3.564 20 0 CHADMN Cc1cccc(Cl)c1NC(=O)[C@@H](C)N(C)CCC(C)C ZINC000877974395 1125108991 /nfs/dbraw/zinc/10/89/91/1125108991.db2.gz APXKYLQGHPPZAJ-CYBMUJFWSA-N 0 1 296.842 3.953 20 0 CHADMN Cc1conc1CN1CCC[C@H](c2ccccc2)CC1 ZINC000878042937 1125115951 /nfs/dbraw/zinc/11/59/51/1125115951.db2.gz LIUHCXVBPCZOFA-INIZCTEOSA-N 0 1 270.376 3.753 20 0 CHADMN Cc1conc1CN1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000878135977 1125122708 /nfs/dbraw/zinc/12/27/08/1125122708.db2.gz SXZQYTMJJLGVPA-XJKSGUPXSA-N 0 1 270.376 3.609 20 0 CHADMN C[C@@H]1c2ccccc2CN1C[C@H]1CCC2(CCC2)O1 ZINC000878157840 1125125721 /nfs/dbraw/zinc/12/57/21/1125125721.db2.gz NMMFKOIIHSZQIF-UKRRQHHQSA-N 0 1 257.377 3.665 20 0 CHADMN CC1(C)CC(C[N@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])C1 ZINC000530165953 1125127712 /nfs/dbraw/zinc/12/77/12/1125127712.db2.gz LDIFWHJGKWNIAV-HOTGVXAUSA-N 0 1 293.451 3.778 20 0 CHADMN CCc1ccc([C@H](CC(C)C)[N@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000530162641 1125128754 /nfs/dbraw/zinc/12/87/54/1125128754.db2.gz YXLFUAMVBLLSFY-IRXDYDNUSA-N 0 1 289.419 3.743 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1CCC1CCCCC1 ZINC000530177018 1125129943 /nfs/dbraw/zinc/12/99/43/1125129943.db2.gz VZEQCQUYNYIQDX-AGGWBTHJSA-N 0 1 267.413 3.530 20 0 CHADMN Brc1ccc2oc(CN3CC4(CC4)C3)cc2c1 ZINC000826029280 1125130708 /nfs/dbraw/zinc/13/07/08/1125130708.db2.gz CASHVKZXJNNRNZ-UHFFFAOYSA-N 0 1 292.176 3.791 20 0 CHADMN CO[C@H]1C[C@@H](C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000878204550 1125131176 /nfs/dbraw/zinc/13/11/76/1125131176.db2.gz SCSTUTBVRGXXRG-RWMBFGLXSA-N 0 1 290.432 3.714 20 0 CHADMN COc1cccc([C@@H](C)N2CCC[C@](C)(F)C2)c1 ZINC000451116643 1125136175 /nfs/dbraw/zinc/13/61/75/1125136175.db2.gz SECMEHOSMXRMER-DOMZBBRYSA-N 0 1 251.345 3.580 20 0 CHADMN FC1(F)CC2(CN(C[C@@H]3CC[C@@H](c4ccccc4)O3)C2)C1 ZINC000878321079 1125141840 /nfs/dbraw/zinc/14/18/40/1125141840.db2.gz MLDCHZPLZOOABM-GJZGRUSLSA-N 0 1 293.357 3.638 20 0 CHADMN Cc1conc1CN1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000878384575 1125147422 /nfs/dbraw/zinc/14/74/22/1125147422.db2.gz GEFOBONIORBIGE-AWEZNQCLSA-N 0 1 288.366 3.892 20 0 CHADMN CC[C@@H](NC[C@@H]1CCC(C)(C)CO1)c1nc(C)cs1 ZINC000878409030 1125150339 /nfs/dbraw/zinc/15/03/39/1125150339.db2.gz XUSYXEXCIDCBRO-QWHCGFSZSA-N 0 1 282.453 3.697 20 0 CHADMN CCC[C@@]1(COC)CCCN1Cc1scnc1Cl ZINC000878522416 1125158213 /nfs/dbraw/zinc/15/82/13/1125158213.db2.gz NGBFZUIBBYWWNL-ZDUSSCGKSA-N 0 1 288.844 3.578 20 0 CHADMN C=C/C=C/CCN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000878527224 1125159707 /nfs/dbraw/zinc/15/97/07/1125159707.db2.gz ZXIKIZPLXWLDLE-MOVJSRMASA-N 0 1 276.327 3.945 20 0 CHADMN CC(C)c1ncc(CN(C)CCCSC(C)(C)C)cn1 ZINC000878553755 1125160711 /nfs/dbraw/zinc/16/07/11/1125160711.db2.gz QEPOGIFEEACWRM-UHFFFAOYSA-N 0 1 295.496 3.954 20 0 CHADMN CCc1cccc(Cl)c1CNCc1ccccc1CO ZINC000530547148 1125163045 /nfs/dbraw/zinc/16/30/45/1125163045.db2.gz SDWMSSNRZCCUOT-UHFFFAOYSA-N 0 1 289.806 3.685 20 0 CHADMN CC(C)(C)Oc1ccc([C@H]2CCN(Cc3cc[nH]n3)C2)cc1 ZINC001137133676 1125164728 /nfs/dbraw/zinc/16/47/28/1125164728.db2.gz PBWUFQZHKNTAML-HNNXBMFYSA-N 0 1 299.418 3.577 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1csc(-c2ccn(C)n2)n1 ZINC000878634234 1125167887 /nfs/dbraw/zinc/16/78/87/1125167887.db2.gz ZOJMCNVDEBEUBG-GFCCVEGCSA-N 0 1 292.452 3.554 20 0 CHADMN CCN(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCC1 ZINC000530623143 1125168591 /nfs/dbraw/zinc/16/85/91/1125168591.db2.gz DFQRJEGQRMSBQM-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN Clc1cccc(CN2CCC[C@H](c3cccnc3)C2)n1 ZINC000878755050 1125178653 /nfs/dbraw/zinc/17/86/53/1125178653.db2.gz AKJWKNCACZXTFV-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN CCCCN(CC(=O)Nc1ccc(Cl)cc1C)C1CC1 ZINC000530866040 1125184179 /nfs/dbraw/zinc/18/41/79/1125184179.db2.gz GWPDWDIQHDVJCL-UHFFFAOYSA-N 0 1 294.826 3.851 20 0 CHADMN CC(C)C[C@@H](C)N(C)C(=O)CN(C)[C@@H](C)c1ccccc1 ZINC000530905279 1125185428 /nfs/dbraw/zinc/18/54/28/1125185428.db2.gz HLLWEHHWLMXXKN-CVEARBPZSA-N 0 1 290.451 3.572 20 0 CHADMN CC1(C)C[N@@H+](C[C@H]2CCCC(C)(C)O2)[C@@H]1c1ccncc1 ZINC000879009774 1125191383 /nfs/dbraw/zinc/19/13/83/1125191383.db2.gz GWBCVSPSHABUEQ-HZPDHXFCSA-N 0 1 288.435 3.812 20 0 CHADMN CC1(C)CN(C[C@H]2CCCC(C)(C)O2)[C@@H]1c1ccncc1 ZINC000879009774 1125191387 /nfs/dbraw/zinc/19/13/87/1125191387.db2.gz GWBCVSPSHABUEQ-HZPDHXFCSA-N 0 1 288.435 3.812 20 0 CHADMN C[C@@H](NCc1ccc2[nH]cnc2c1)c1ccc(F)cc1F ZINC000530974616 1125191426 /nfs/dbraw/zinc/19/14/26/1125191426.db2.gz OCXKAGUEDHIBMR-SNVBAGLBSA-N 0 1 287.313 3.692 20 0 CHADMN C[C@@H](NCc1ccc2nc[nH]c2c1)c1ccc(F)cc1F ZINC000530974616 1125191431 /nfs/dbraw/zinc/19/14/31/1125191431.db2.gz OCXKAGUEDHIBMR-SNVBAGLBSA-N 0 1 287.313 3.692 20 0 CHADMN C[C@@H](c1cccc(F)c1)N(C)Cc1cccc(O)c1 ZINC000531140196 1125196889 /nfs/dbraw/zinc/19/68/89/1125196889.db2.gz YQZAIMJFWUUQTR-LBPRGKRZSA-N 0 1 259.324 3.724 20 0 CHADMN CC[C@](C)(NCc1cnoc1C)c1ccc(F)cc1 ZINC000879128091 1125199174 /nfs/dbraw/zinc/19/91/74/1125199174.db2.gz IIWPEJUYMSAGPJ-HNNXBMFYSA-N 0 1 262.328 3.537 20 0 CHADMN Cc1cccc2c(CN3CCCC[C@@](C)(F)C3)[nH]nc21 ZINC001137142028 1125204616 /nfs/dbraw/zinc/20/46/16/1125204616.db2.gz RJLJRIQENLKAIV-MRXNPFEDSA-N 0 1 275.371 3.585 20 0 CHADMN CCOC(=O)c1nc2ccc(-c3ccc(C)cc3)cc2[nH]1 ZINC001239480390 1131338690 /nfs/dbraw/zinc/33/86/90/1131338690.db2.gz DWYXZNMXPUAGRD-UHFFFAOYSA-N 0 1 280.327 3.715 20 0 CHADMN CC(C)c1nnc(CN[C@H](C)[C@]23C[C@H]2CCCC3)s1 ZINC000879267239 1125206177 /nfs/dbraw/zinc/20/61/77/1125206177.db2.gz XKAADLFDDRFOKU-JMSVASOKSA-N 0 1 279.453 3.720 20 0 CHADMN Fc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1F ZINC000531470600 1125223374 /nfs/dbraw/zinc/22/33/74/1125223374.db2.gz NQHMDJYQEBNHMX-CABCVRRESA-N 0 1 283.387 3.825 20 0 CHADMN Fc1ccc(CN2CCS[C@H]3CCCC[C@H]32)cc1F ZINC000531470600 1125223377 /nfs/dbraw/zinc/22/33/77/1125223377.db2.gz NQHMDJYQEBNHMX-CABCVRRESA-N 0 1 283.387 3.825 20 0 CHADMN FC(F)(F)[C@@H]1CC=CC[C@H]1NCc1cccc(Cl)n1 ZINC000879669012 1125224216 /nfs/dbraw/zinc/22/42/16/1125224216.db2.gz DWNKMOKWRYBYLZ-GHMZBOCLSA-N 0 1 290.716 3.722 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2cc3cnccc3o2)c(C)n1 ZINC000879713466 1125226618 /nfs/dbraw/zinc/22/66/18/1125226618.db2.gz AGPLGNRABOMSQX-AWEZNQCLSA-N 0 1 295.386 3.999 20 0 CHADMN Cc1ccc(CNCc2ccc(C(F)(F)F)cc2)o1 ZINC000049932800 1125227508 /nfs/dbraw/zinc/22/75/08/1125227508.db2.gz JVKQQCCUQKCDCO-UHFFFAOYSA-N 0 1 269.266 3.897 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)CC(C)(C)CC(F)F ZINC000879728787 1125227870 /nfs/dbraw/zinc/22/78/70/1125227870.db2.gz WGEQUUUCQMAQSL-UHFFFAOYSA-N 0 1 295.333 3.881 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@@H]1CC12CCCCC2 ZINC000532183977 1125236881 /nfs/dbraw/zinc/23/68/81/1125236881.db2.gz NKTDOWNVPAOGGT-JTQLQIEISA-N 0 1 279.767 3.955 20 0 CHADMN Cc1ncccc1CN[C@H]1CCSc2ccc(F)cc21 ZINC000237618388 1125248262 /nfs/dbraw/zinc/24/82/62/1125248262.db2.gz KZRPQJTZUGKRIM-HNNXBMFYSA-N 0 1 288.391 3.856 20 0 CHADMN Cc1ccc(NCc2ccc3nc[nH]c3c2)c(C)c1 ZINC000532361340 1125249813 /nfs/dbraw/zinc/24/98/13/1125249813.db2.gz KQFDRAFMLLENDA-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1cccc(C(C)(C)C)c1 ZINC000880109085 1125250934 /nfs/dbraw/zinc/25/09/34/1125250934.db2.gz PKWLINNVGWPURT-AWEZNQCLSA-N 0 1 283.419 3.933 20 0 CHADMN Oc1c(Cl)cc(Cl)cc1/C=N/Cc1ccco1 ZINC000005273456 1125256353 /nfs/dbraw/zinc/25/63/53/1125256353.db2.gz PTIRCJBULUHWGJ-GIDUJCDVSA-N 0 1 270.115 3.911 20 0 CHADMN FC[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000880236205 1125257991 /nfs/dbraw/zinc/25/79/91/1125257991.db2.gz XMJGZHQZGZQQTK-CYBMUJFWSA-N 0 1 274.339 3.523 20 0 CHADMN FC[C@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000880236205 1125257996 /nfs/dbraw/zinc/25/79/96/1125257996.db2.gz XMJGZHQZGZQQTK-CYBMUJFWSA-N 0 1 274.339 3.523 20 0 CHADMN CSC[C@@H]1CCCN1Cc1c(F)ccc(C)c1F ZINC001168146591 1125262230 /nfs/dbraw/zinc/26/22/30/1125262230.db2.gz RFPOBQPQOPZDCE-NSHDSACASA-N 0 1 271.376 3.601 20 0 CHADMN C[C@H](c1ncc(-c2ccccc2)o1)N1CC[C@@H](CF)C1 ZINC000880293327 1125263483 /nfs/dbraw/zinc/26/34/83/1125263483.db2.gz HQQBUFVULJSZLM-OLZOCXBDSA-N 0 1 274.339 3.694 20 0 CHADMN Fc1ccc(CN2CC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000880313376 1125264298 /nfs/dbraw/zinc/26/42/98/1125264298.db2.gz LZDZIXSEBYMIFP-LLVKDONJSA-N 0 1 296.798 3.925 20 0 CHADMN CCC(C)=C(C)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000841442944 1125266974 /nfs/dbraw/zinc/26/69/74/1125266974.db2.gz GAQQSNJYHHQWGL-PKNBQFBNSA-N 0 1 287.363 3.971 20 0 CHADMN Cc1cc(CN2CCC(C)(C)CC2)cc(Cl)n1 ZINC000321060227 1125267048 /nfs/dbraw/zinc/26/70/48/1125267048.db2.gz YYHGPWRKLWMHFZ-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN Cc1nc(C)c(CN2CCc3ccsc3[C@H]2C)s1 ZINC000880378040 1125269524 /nfs/dbraw/zinc/26/95/24/1125269524.db2.gz MKDBJJQDGWRQLW-SNVBAGLBSA-N 0 1 278.446 3.941 20 0 CHADMN CCN(Cc1ccoc1)Cc1cc(F)cc2cccnc21 ZINC000102407804 1125277250 /nfs/dbraw/zinc/27/72/50/1125277250.db2.gz CRQKYLREUXXYNG-UHFFFAOYSA-N 0 1 284.334 3.989 20 0 CHADMN CCCCc1nc(CN[C@@H]2CCC[C@]23CCCO3)cs1 ZINC000880512544 1125277946 /nfs/dbraw/zinc/27/79/46/1125277946.db2.gz SDTTYXJYEIBDBF-ZBFHGGJFSA-N 0 1 294.464 3.677 20 0 CHADMN Cc1ccc(C)c(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)[C@H]2C)c1 ZINC000475732227 1125281951 /nfs/dbraw/zinc/28/19/51/1125281951.db2.gz GHDIDGWDGIQAJH-VNQPRFMTSA-N 0 1 288.435 3.608 20 0 CHADMN FC(F)(F)c1cccc([C@H]2CN(CCC3CC3)CCO2)c1 ZINC000475740359 1125284877 /nfs/dbraw/zinc/28/48/77/1125284877.db2.gz RQHDAOHKNZPRAP-OAHLLOKOSA-N 0 1 299.336 3.879 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@H](C)c1nccnc1C ZINC000872131849 1125286856 /nfs/dbraw/zinc/28/68/56/1125286856.db2.gz AKMXIDYWWVMQIX-NEPJUHHUSA-N 0 1 261.394 3.567 20 0 CHADMN FC(F)(F)c1cccc([C@@H]2CN(CC3CCC3)CCO2)c1 ZINC000475748283 1125287800 /nfs/dbraw/zinc/28/78/00/1125287800.db2.gz NMUMFCCWYPLCQF-HNNXBMFYSA-N 0 1 299.336 3.879 20 0 CHADMN CN(CC(=O)Nc1cccc(C2CCC2)c1)CC(C)(C)C ZINC001159936641 1131344837 /nfs/dbraw/zinc/34/48/37/1131344837.db2.gz ULVGKFQPCTZPRV-UHFFFAOYSA-N 0 1 288.435 3.871 20 0 CHADMN C[C@H](N[C@@H](CC1CC1)c1ccccc1)c1ccn(C)n1 ZINC000666120953 1125291889 /nfs/dbraw/zinc/29/18/89/1125291889.db2.gz WNYJHPMFUOVOAX-GUYCJALGSA-N 0 1 269.392 3.612 20 0 CHADMN Cc1csc(CN2CCOC[C@H]2Cc2ccccc2)c1 ZINC001137160047 1125292720 /nfs/dbraw/zinc/29/27/20/1125292720.db2.gz PKQBLDJKOUZTTR-MRXNPFEDSA-N 0 1 287.428 3.500 20 0 CHADMN COc1ccc([C@@H](C)N[C@H]2CCc3cccnc32)cc1C ZINC000897414708 1125316257 /nfs/dbraw/zinc/31/62/57/1125316257.db2.gz JWSDDDYLWGMXFX-CJNGLKHVSA-N 0 1 282.387 3.737 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1ccc(F)cc1C ZINC000050569145 1125317238 /nfs/dbraw/zinc/31/72/38/1125317238.db2.gz VRYFHWGIRXNMIJ-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN C[C@H](NCc1ccnc(N)c1)c1ccc(Cl)cc1Cl ZINC000191556930 1125326894 /nfs/dbraw/zinc/32/68/94/1125326894.db2.gz NPKFSJUGZHIWFX-VIFPVBQESA-N 0 1 296.201 3.821 20 0 CHADMN COc1ccc(CN2CCSCC[C@H]2C)cc1Cl ZINC000191812907 1125327605 /nfs/dbraw/zinc/32/76/05/1125327605.db2.gz CITCCXQUYZVSML-LLVKDONJSA-N 0 1 285.840 3.676 20 0 CHADMN c1cnc(CN2CCC[C@H]2c2cccc3ccccc32)nc1 ZINC000191961012 1125329305 /nfs/dbraw/zinc/32/93/05/1125329305.db2.gz WILRBPVUISGAQG-SFHVURJKSA-N 0 1 289.382 3.967 20 0 CHADMN C[C@@H](c1ccccc1)[N@H+](Cc1ncccn1)CC1CCC1 ZINC000192037926 1125330183 /nfs/dbraw/zinc/33/01/83/1125330183.db2.gz ADNHBMDIXIIXME-HNNXBMFYSA-N 0 1 281.403 3.840 20 0 CHADMN C[C@@H](c1ccccc1)N(Cc1ncccn1)CC1CCC1 ZINC000192037926 1125330186 /nfs/dbraw/zinc/33/01/86/1125330186.db2.gz ADNHBMDIXIIXME-HNNXBMFYSA-N 0 1 281.403 3.840 20 0 CHADMN CCC(CC)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000170208317 1125340481 /nfs/dbraw/zinc/34/04/81/1125340481.db2.gz CYLZIRLEFDCRIT-UHFFFAOYSA-N 0 1 259.708 3.559 20 0 CHADMN Cc1ccc2nc(CNC(=O)[C@H]3CCC=CCCC3)[nH]c2c1 ZINC001126679460 1125349409 /nfs/dbraw/zinc/34/94/09/1125349409.db2.gz BWCZHEDELJAPFW-AWEZNQCLSA-N 0 1 297.402 3.624 20 0 CHADMN Cc1cc2c(c(C)c1)[C@@H](N[C@@H]1CCCc3c[nH]nc31)CC2 ZINC000655732734 1125355645 /nfs/dbraw/zinc/35/56/45/1125355645.db2.gz FKTLFALRHZCECG-JKSUJKDBSA-N 0 1 281.403 3.681 20 0 CHADMN FC(F)(F)c1cnccc1N1CC[C@H](c2nccs2)C1 ZINC000882855893 1125358695 /nfs/dbraw/zinc/35/86/95/1125358695.db2.gz WPNSDFQVDAMROI-VIFPVBQESA-N 0 1 299.321 3.551 20 0 CHADMN CCc1cnc(CN[C@@H](C)CSC(C)(C)C)s1 ZINC000130526351 1125362538 /nfs/dbraw/zinc/36/25/38/1125362538.db2.gz CZJLICBSLJCOAP-JTQLQIEISA-N 0 1 272.483 3.715 20 0 CHADMN Cc1ccc(-c2nc(CN[C@@H](C)[C@@H]3CC3(F)F)co2)cc1 ZINC000666444582 1125369443 /nfs/dbraw/zinc/36/94/43/1125369443.db2.gz IOBVWTMZYMCYDX-FZMZJTMJSA-N 0 1 292.329 3.783 20 0 CHADMN C[C@@H](NCc1csc(-c2ccco2)n1)[C@@H]1CC1(F)F ZINC000666445903 1125369905 /nfs/dbraw/zinc/36/99/05/1125369905.db2.gz YTAMOQIRFAGNLZ-SCZZXKLOSA-N 0 1 284.331 3.536 20 0 CHADMN CSc1ccc(CN[C@H]2CCCc3nc(C)sc32)o1 ZINC000883084129 1125371239 /nfs/dbraw/zinc/37/12/39/1125371239.db2.gz HUTBVNCKJIVWAG-NSHDSACASA-N 0 1 294.445 3.934 20 0 CHADMN C/C=C\C[C@@H]1CCCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000626160716 1125375755 /nfs/dbraw/zinc/37/57/55/1125375755.db2.gz OFJXOBLJDFUTBE-XQJDBVBESA-N 0 1 287.363 3.508 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H]1CCC12CCC2 ZINC000821820954 1131351462 /nfs/dbraw/zinc/35/14/62/1131351462.db2.gz UABOHNWXLUFLMN-AWEZNQCLSA-N 0 1 296.370 3.875 20 0 CHADMN CCSc1ccc(CNCc2cnc(C3CC3)nc2)cc1 ZINC000883236331 1125381979 /nfs/dbraw/zinc/38/19/79/1125381979.db2.gz ZAXTYGATTKJYDG-UHFFFAOYSA-N 0 1 299.443 3.756 20 0 CHADMN C/C=C\C[C@H]1CCCN(Cc2nccn2C(C)C)C1 ZINC000626162226 1125382224 /nfs/dbraw/zinc/38/22/24/1125382224.db2.gz QREYYXUSUVGNIF-XVWMLYKFSA-N 0 1 261.413 3.642 20 0 CHADMN COc1ccc(C2CC2)cc1CNCc1ccncc1C ZINC000883257969 1125386788 /nfs/dbraw/zinc/38/67/88/1125386788.db2.gz ONTXNAKAFYXPEE-UHFFFAOYSA-N 0 1 282.387 3.566 20 0 CHADMN CCOc1cc(-c2nc3ccc(C)cc3[nH]2)ccc1OC ZINC000041006010 1125387969 /nfs/dbraw/zinc/38/79/69/1125387969.db2.gz ORMQUUCKOSMTSA-UHFFFAOYSA-N 0 1 282.343 3.946 20 0 CHADMN CCCC[C@H](COC)N[C@H](C)c1c(F)cccc1F ZINC000532448582 1125388921 /nfs/dbraw/zinc/38/89/21/1125388921.db2.gz GVIYQTWXDVHITG-VXGBXAGGSA-N 0 1 271.351 3.821 20 0 CHADMN C=C/C=C/CCN[C@@H](C)c1nc(Br)cs1 ZINC000883268640 1125389108 /nfs/dbraw/zinc/38/91/08/1125389108.db2.gz PHZPSSGCPFACBP-MOVJSRMASA-N 0 1 287.226 3.689 20 0 CHADMN COc1ccccc1CCN(C)Cc1nc2ccccc2o1 ZINC000104710457 1125392435 /nfs/dbraw/zinc/39/24/35/1125392435.db2.gz BXMFOSOAUUQFGB-UHFFFAOYSA-N 0 1 296.370 3.511 20 0 CHADMN Cc1nc2c(n1C[C@H]1CCC3(CCCCC3)O1)CCCC2 ZINC000229439022 1125395405 /nfs/dbraw/zinc/39/54/05/1125395405.db2.gz SVHFDROFXOAJMY-OAHLLOKOSA-N 0 1 288.435 3.952 20 0 CHADMN CC1(C)CCC[N@H+]1Cc1csc(-c2ccoc2)n1 ZINC000170986320 1125398896 /nfs/dbraw/zinc/39/88/96/1125398896.db2.gz MFFKHDJHROGIFE-UHFFFAOYSA-N 0 1 262.378 3.778 20 0 CHADMN CC1(C)CCCN1Cc1csc(-c2ccoc2)n1 ZINC000170986320 1125398898 /nfs/dbraw/zinc/39/88/98/1125398898.db2.gz MFFKHDJHROGIFE-UHFFFAOYSA-N 0 1 262.378 3.778 20 0 CHADMN F[C@H]1CCc2ccccc2[C@@H]1NCc1ccc2nc[nH]c2c1 ZINC000883382178 1125406857 /nfs/dbraw/zinc/40/68/57/1125406857.db2.gz ASTIUFOQSNISLC-YJBOKZPZSA-N 0 1 295.361 3.678 20 0 CHADMN CC(C)C[N@@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000532486353 1125407139 /nfs/dbraw/zinc/40/71/39/1125407139.db2.gz PDSLEAONHQAJGU-UHFFFAOYSA-N 0 1 286.206 3.729 20 0 CHADMN C[C@@H](N(C)Cc1nc(-c2ccc(F)cc2)no1)C(C)(C)C ZINC000532490721 1125407949 /nfs/dbraw/zinc/40/79/49/1125407949.db2.gz QWXXKRCJBKNZEE-LLVKDONJSA-N 0 1 291.370 3.742 20 0 CHADMN Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C ZINC000532549391 1125410025 /nfs/dbraw/zinc/41/00/25/1125410025.db2.gz AWSCYKXUKYVQPE-CABCVRRESA-N 0 1 290.451 3.539 20 0 CHADMN CCc1ccc([C@@H]2CCCCCN2Cc2ccno2)o1 ZINC000532573226 1125415263 /nfs/dbraw/zinc/41/52/63/1125415263.db2.gz DMOUPUUKPFMYSN-HNNXBMFYSA-N 0 1 274.364 3.947 20 0 CHADMN CC[C@H]1CCCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000532571546 1125415550 /nfs/dbraw/zinc/41/55/50/1125415550.db2.gz MTRUNIQGPLWUMP-OLZOCXBDSA-N 0 1 279.428 3.940 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114440193 1125420107 /nfs/dbraw/zinc/42/01/07/1125420107.db2.gz XNKVNSWIYWOLSI-SFHVURJKSA-N 0 1 295.386 3.525 20 0 CHADMN CCCn1nc(C)c(CNCc2ccc(C)c(F)c2)c1C ZINC000132804584 1125423243 /nfs/dbraw/zinc/42/32/43/1125423243.db2.gz JPCXCJBKCHFRCV-UHFFFAOYSA-N 0 1 289.398 3.647 20 0 CHADMN O=C(C=CC1CCCC1)Nc1cccc(-c2ncc[nH]2)c1 ZINC000843788660 1125424001 /nfs/dbraw/zinc/42/40/01/1125424001.db2.gz GUUFGNUIDLWHIA-HJWRWDBZSA-N 0 1 281.359 3.762 20 0 CHADMN CC(C)(C)c1ccc(C[N@@H+](CCC(=O)[O-])CC2CC2)s1 ZINC000717202977 1125427001 /nfs/dbraw/zinc/42/70/01/1125427001.db2.gz NFPGPPHTWRMELI-UHFFFAOYSA-N 0 1 295.448 3.732 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000119620513 1125427127 /nfs/dbraw/zinc/42/71/27/1125427127.db2.gz IKUQQFDISNVKAI-ZIAGYGMSSA-N 0 1 289.423 3.540 20 0 CHADMN CCC(CC)n1ccc(CN(C)C[C@H](C)CC)n1 ZINC000532615826 1125428474 /nfs/dbraw/zinc/42/84/74/1125428474.db2.gz VZWUFBUJAHJFLD-CYBMUJFWSA-N 0 1 251.418 3.722 20 0 CHADMN C[S@@](=O)c1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000123674538 1125432184 /nfs/dbraw/zinc/43/21/84/1125432184.db2.gz UKPOEGGAJNLHPN-NQIIRXRSSA-N 0 1 299.439 3.761 20 0 CHADMN C[S@@](=O)c1ccc(CN2CCC[C@@H]2c2ccccc2)cc1 ZINC000123674538 1125432185 /nfs/dbraw/zinc/43/21/85/1125432185.db2.gz UKPOEGGAJNLHPN-NQIIRXRSSA-N 0 1 299.439 3.761 20 0 CHADMN Cc1cc(CN2CCOCC3(CCCC3)C2)c(C)s1 ZINC000681473741 1125432949 /nfs/dbraw/zinc/43/29/49/1125432949.db2.gz AAAONBYUMJQPQL-UHFFFAOYSA-N 0 1 279.449 3.758 20 0 CHADMN CCCC[N@@H+](C)[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000124161708 1125435168 /nfs/dbraw/zinc/43/51/68/1125435168.db2.gz IGKKRVWMMSJDJC-SNVBAGLBSA-N 0 1 292.452 3.683 20 0 CHADMN CCCCN(C)[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000124161708 1125435170 /nfs/dbraw/zinc/43/51/70/1125435170.db2.gz IGKKRVWMMSJDJC-SNVBAGLBSA-N 0 1 292.452 3.683 20 0 CHADMN Cc1ncccc1CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000124949265 1125443219 /nfs/dbraw/zinc/44/32/19/1125443219.db2.gz WBNWUVMOSRJIDT-GFCCVEGCSA-N 0 1 276.330 3.861 20 0 CHADMN COc1ccnc(CN(C)[C@@H](C)c2ccc(C)cc2)c1 ZINC000106933565 1125446009 /nfs/dbraw/zinc/44/60/09/1125446009.db2.gz DOGUMVCDBHDDQV-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN C[C@@H](NC1CC(c2cc(F)cc(F)c2)C1)c1ccon1 ZINC000348256999 1125446495 /nfs/dbraw/zinc/44/64/95/1125446495.db2.gz ZLHPGHXNIIDQPR-FDMSEYEVSA-N 0 1 278.302 3.550 20 0 CHADMN C[S@@](=O)c1ccc(CN(Cc2ccccc2)C2CC2)cc1 ZINC000125436464 1125448571 /nfs/dbraw/zinc/44/85/71/1125448571.db2.gz CLJFMALRZNFZLI-NRFANRHFSA-N 0 1 299.439 3.589 20 0 CHADMN CCN(Cc1nccnc1C)[C@@H](C)c1ccc(F)cc1 ZINC000621712783 1129184798 /nfs/dbraw/zinc/18/47/98/1129184798.db2.gz ORJMZJFAYROHPY-ZDUSSCGKSA-N 0 1 273.355 3.507 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2nccnc2C)cc1 ZINC000621717004 1129186166 /nfs/dbraw/zinc/18/61/66/1129186166.db2.gz UEZZSMMTLCWGDI-SFHVURJKSA-N 0 1 281.403 3.821 20 0 CHADMN CCCc1ccc(CN(C)Cc2ccncc2)s1 ZINC000621722052 1129186773 /nfs/dbraw/zinc/18/67/73/1129186773.db2.gz JTANVLOZQXIFNQ-UHFFFAOYSA-N 0 1 260.406 3.728 20 0 CHADMN Cc1nccnc1CN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000621732236 1129187781 /nfs/dbraw/zinc/18/77/81/1129187781.db2.gz UGLPRUMKUSDFAX-SFHVURJKSA-N 0 1 291.398 3.678 20 0 CHADMN CC(C)N(Cc1cn2ccccc2n1)Cc1ccc(F)cc1 ZINC000621731019 1129188103 /nfs/dbraw/zinc/18/81/03/1129188103.db2.gz NHHLYVXUHCJQNV-UHFFFAOYSA-N 0 1 297.377 3.884 20 0 CHADMN CC1(c2ccccc2)CN(Cc2cc3cnccc3o2)C1 ZINC000621735678 1129188396 /nfs/dbraw/zinc/18/83/96/1129188396.db2.gz OKMCIMNZYDFURF-UHFFFAOYSA-N 0 1 278.355 3.601 20 0 CHADMN CCCn1c(C)nnc1CN1CCCC[C@@H]1CCC(C)C ZINC000164172507 1129207451 /nfs/dbraw/zinc/20/74/51/1129207451.db2.gz AEFUWLQJFSZKDL-MRXNPFEDSA-N 0 1 292.471 3.787 20 0 CHADMN Cn1nccc1CN[C@H](c1ccccc1F)C1CCCC1 ZINC000088765244 1129209221 /nfs/dbraw/zinc/20/92/21/1129209221.db2.gz WXMSGRWSJDJRIQ-KRWDZBQOSA-N 0 1 287.382 3.580 20 0 CHADMN Cn1c2ccc(F)cc2nc1CNC/C=C/c1ccccc1 ZINC000076332471 1129210663 /nfs/dbraw/zinc/21/06/63/1129210663.db2.gz UMSDTCKWTONDJB-VMPITWQZSA-N 0 1 295.361 3.515 20 0 CHADMN CO[C@@H]1CC=C(Nc2ccncc2Oc2ccccc2)CC1 ZINC001212872180 1129220874 /nfs/dbraw/zinc/22/08/74/1129220874.db2.gz PDRQCXVPZHVREP-OAHLLOKOSA-N 0 1 296.370 3.791 20 0 CHADMN CCCCN(CC(=O)OCC)[C@@H](C)CC(C)(C)SC ZINC001258343690 1129221109 /nfs/dbraw/zinc/22/11/09/1129221109.db2.gz DLPRTPPLFJHBIW-ZDUSSCGKSA-N 0 1 289.485 3.572 20 0 CHADMN Cc1ccc([C@@H](NC(=O)c2cccc(F)c2O)C2CC2)cc1 ZINC001124698283 1131359037 /nfs/dbraw/zinc/35/90/37/1131359037.db2.gz LHUYGMUPHBCDNL-MRXNPFEDSA-N 0 1 299.345 3.721 20 0 CHADMN COC1CCC(=Nc2c(C)nc(Cl)nc2Cl)CC1 ZINC001212873441 1129229641 /nfs/dbraw/zinc/22/96/41/1129229641.db2.gz KYXZIEKDWHBIHD-SECBINFHSA-N 0 1 288.178 3.587 20 0 CHADMN Nc1c(F)cccc1CN1CCCCC[C@@H]1c1ccncc1 ZINC000637830135 1129231360 /nfs/dbraw/zinc/23/13/60/1129231360.db2.gz SECQUZWJXRSYRB-QGZVFWFLSA-N 0 1 299.393 3.920 20 0 CHADMN CC[C@@](C)(CN(C)Cc1nc2ccccc2s1)OC ZINC000637875965 1129233060 /nfs/dbraw/zinc/23/30/60/1129233060.db2.gz JFFSWOCDXBGIAI-HNNXBMFYSA-N 0 1 278.421 3.543 20 0 CHADMN Cc1ccccc1[C@@H](C)N(C)[C@H](c1nccn1C)C1CC1 ZINC000637901392 1129235430 /nfs/dbraw/zinc/23/54/30/1129235430.db2.gz CPVXGFDBDIJKEN-PBHICJAKSA-N 0 1 283.419 3.873 20 0 CHADMN Nc1c(F)cccc1CN1CCC[C@@H]1c1ccsc1 ZINC000637911185 1129237242 /nfs/dbraw/zinc/23/72/42/1129237242.db2.gz YVTKFEHERBMNRN-CQSZACIVSA-N 0 1 276.380 3.807 20 0 CHADMN C[N@H+](Cc1nc2c(s1)CCCC2)CC1CCSCC1 ZINC000638066983 1129241584 /nfs/dbraw/zinc/24/15/84/1129241584.db2.gz PJFXSHSTGGCLFB-UHFFFAOYSA-N 0 1 296.505 3.597 20 0 CHADMN Cc1cccc(NC2CCN(Cc3ccns3)CC2)c1 ZINC000638114044 1129243333 /nfs/dbraw/zinc/24/33/33/1129243333.db2.gz WRLLSJNLOSALMA-UHFFFAOYSA-N 0 1 287.432 3.528 20 0 CHADMN C[C@H]1CN(CC2CCSCC2)C[C@H](c2ccsc2)O1 ZINC000638130529 1129245324 /nfs/dbraw/zinc/24/53/24/1129245324.db2.gz GEUZAKAEEDDMHV-SWLSCSKDSA-N 0 1 297.489 3.653 20 0 CHADMN Cc1noc(C)c1CC[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000336821152 1129245680 /nfs/dbraw/zinc/24/56/80/1129245680.db2.gz GSJPDSBHIJOPLR-PXAZEXFGSA-N 0 1 270.376 3.527 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](c2nnc[nH]2)C2CCCCC2)o1 ZINC000638286859 1129253027 /nfs/dbraw/zinc/25/30/27/1129253027.db2.gz RUGPDODCDNNHNV-DOMZBBRYSA-N 0 1 288.395 3.678 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cccc(F)c1N ZINC000638307377 1129253524 /nfs/dbraw/zinc/25/35/24/1129253524.db2.gz JMTAXLWGZSJQIS-GFCCVEGCSA-N 0 1 288.366 3.576 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C ZINC000622467880 1129261572 /nfs/dbraw/zinc/26/15/72/1129261572.db2.gz KZDAKRUIZALTIO-UHFFFAOYSA-N 0 1 297.402 3.929 20 0 CHADMN CCOc1ccccc1CCNCc1nc2ccccc2o1 ZINC000638575305 1129262827 /nfs/dbraw/zinc/26/28/27/1129262827.db2.gz AZKLPSICKWFJCI-UHFFFAOYSA-N 0 1 296.370 3.559 20 0 CHADMN CCc1cccc2c1OCC[C@@H]2NCc1cc(C)ns1 ZINC000638575544 1129262872 /nfs/dbraw/zinc/26/28/72/1129262872.db2.gz JDONAHJNZCIMFW-HNNXBMFYSA-N 0 1 288.416 3.627 20 0 CHADMN Cc1cc(CNC(C)(C)c2cccs2)sn1 ZINC000638610387 1129263628 /nfs/dbraw/zinc/26/36/28/1129263628.db2.gz WEXSFSWIYNMLNA-UHFFFAOYSA-N 0 1 252.408 3.538 20 0 CHADMN c1ccc(C[C@H]2C[C@@H]2NCc2nc3ccccc3o2)cc1 ZINC000638633577 1129263938 /nfs/dbraw/zinc/26/39/38/1129263938.db2.gz AFTLHWOMQQHROL-HOCLYGCPSA-N 0 1 278.355 3.549 20 0 CHADMN Cc1cccc(C(C)(C)N[C@H](c2nccn2C)C2CC2)c1 ZINC000638667891 1129265612 /nfs/dbraw/zinc/26/56/12/1129265612.db2.gz NUAKTCYRNFNZQY-INIZCTEOSA-N 0 1 283.419 3.705 20 0 CHADMN Fc1ccc(CN[C@@H]2CCCc3c[nH]nc32)c2ccccc12 ZINC000638768623 1129269836 /nfs/dbraw/zinc/26/98/36/1129269836.db2.gz DKLQJBXXWURMEY-QGZVFWFLSA-N 0 1 295.361 3.869 20 0 CHADMN Cc1cccc([C@H](N[C@@H]2CS[C@@H](C)C2)c2ccccn2)c1 ZINC000638813434 1129270988 /nfs/dbraw/zinc/27/09/88/1129270988.db2.gz GUNQCBDXEHCAGM-ZVZYQTTQSA-N 0 1 298.455 3.963 20 0 CHADMN CC[C@@](C)(CN[C@@H](c1cccc(C)c1)c1ccccn1)OC ZINC000638813707 1129271384 /nfs/dbraw/zinc/27/13/84/1129271384.db2.gz KQDQYPZQIXWHEW-OALUTQOASA-N 0 1 298.430 3.884 20 0 CHADMN CCCCCC[C@@H](C)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795429124 1129274288 /nfs/dbraw/zinc/27/42/88/1129274288.db2.gz CLEWIUDSYXSHQC-GFCCVEGCSA-N 0 1 281.400 3.578 20 0 CHADMN CCCCCC[C@@H](C)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795429124 1129274292 /nfs/dbraw/zinc/27/42/92/1129274292.db2.gz CLEWIUDSYXSHQC-GFCCVEGCSA-N 0 1 281.400 3.578 20 0 CHADMN CO[C@H](C)c1nc(CN[C@H]2CC[C@@H]2C(C)(C)C)cs1 ZINC000348077276 1129277975 /nfs/dbraw/zinc/27/79/75/1129277975.db2.gz GUPMQBBQMGDZLR-WXHSDQCUSA-N 0 1 282.453 3.765 20 0 CHADMN Cc1ccccc1-c1noc(CN2C[C@@H]3CCCC[C@@]32C)n1 ZINC000626105309 1129280977 /nfs/dbraw/zinc/28/09/77/1129280977.db2.gz BCKHLCANBLJHCH-KSSFIOAISA-N 0 1 297.402 3.810 20 0 CHADMN CC1(C)CC[N@@H+](Cc2ccc(C(F)F)nc2)CCS1 ZINC000639112396 1129282953 /nfs/dbraw/zinc/28/29/53/1129282953.db2.gz KWJHGSMUKHTDLX-UHFFFAOYSA-N 0 1 286.391 3.737 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3ccc(F)cc32)sn1 ZINC000639123810 1129284536 /nfs/dbraw/zinc/28/45/36/1129284536.db2.gz OMVLZQMXEUPUIK-HNNXBMFYSA-N 0 1 276.380 3.758 20 0 CHADMN C(c1noc([C@@H]2CC[C@@H]3CCCC[C@H]3N2)n1)C1CCCC1 ZINC000379120831 1129285863 /nfs/dbraw/zinc/28/58/63/1129285863.db2.gz OASDYPBZFICYAG-ZNMIVQPWSA-N 0 1 289.423 3.786 20 0 CHADMN Nc1c(F)cccc1CN1CCC(CC(F)(F)F)CC1 ZINC000639149753 1129287604 /nfs/dbraw/zinc/28/76/04/1129287604.db2.gz VFRUMSFCDHLJAK-UHFFFAOYSA-N 0 1 290.304 3.572 20 0 CHADMN CCN([C@H](C)c1cnc(C)nc1C)[C@@H](C)c1cccnc1 ZINC000639177479 1129289584 /nfs/dbraw/zinc/28/95/84/1129289584.db2.gz DQILSCCYPVSOHM-UONOGXRCSA-N 0 1 284.407 3.633 20 0 CHADMN Cc1cc(CNCc2cccc(OC(C)C)c2)c(C)o1 ZINC000734003693 1129290954 /nfs/dbraw/zinc/29/09/54/1129290954.db2.gz UQCCSWHHMJNWBQ-UHFFFAOYSA-N 0 1 273.376 3.973 20 0 CHADMN Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c(F)c1 ZINC000639210761 1129292863 /nfs/dbraw/zinc/29/28/63/1129292863.db2.gz JLDLJUQADOIECW-QGZVFWFLSA-N 0 1 289.394 3.525 20 0 CHADMN Cc1cc(CN[C@H]2CCCN(C)c3ccccc32)sn1 ZINC000639236493 1129296000 /nfs/dbraw/zinc/29/60/00/1129296000.db2.gz SFVRNOJPJKUSGN-HNNXBMFYSA-N 0 1 287.432 3.512 20 0 CHADMN Cc1ccnc(N[C@@H](C)[C@@H]2CC2(F)F)c1C1CC1 ZINC000639310824 1129301736 /nfs/dbraw/zinc/30/17/36/1129301736.db2.gz HTFYCBLXYSDNDM-ONGXEEELSA-N 0 1 252.308 3.723 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)NC[C@H](C)C(C)(C)C)o1 ZINC000734335741 1129302292 /nfs/dbraw/zinc/30/22/92/1129302292.db2.gz GSOSNFQIOCPFAY-ZDUSSCGKSA-N 0 1 294.439 3.533 20 0 CHADMN CC[C@@](C)(NCc1cc(OC)ns1)c1ccc(F)cc1 ZINC000639359379 1129306006 /nfs/dbraw/zinc/30/60/06/1129306006.db2.gz LWYJPASMKMKVNR-OAHLLOKOSA-N 0 1 294.395 3.706 20 0 CHADMN COc1cc(-c2ccc(F)c(CN(C)C)c2)cc(F)c1F ZINC001240663450 1129310062 /nfs/dbraw/zinc/31/00/62/1129310062.db2.gz WCFRRTGRSMXKRG-UHFFFAOYSA-N 0 1 295.304 3.841 20 0 CHADMN Cc1cc(C)c(CN2CCC[C@H](C(F)(F)F)C2)c(C)n1 ZINC000639435639 1129314919 /nfs/dbraw/zinc/31/49/19/1129314919.db2.gz LJQHHGDGFPXYHK-ZDUSSCGKSA-N 0 1 286.341 3.781 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2c(C)cc(C)nc2C)on1 ZINC000639453483 1129316156 /nfs/dbraw/zinc/31/61/56/1129316156.db2.gz ICFPZEQXGGLQES-INIZCTEOSA-N 0 1 285.391 3.640 20 0 CHADMN C[C@H](c1ccccc1F)N(C)C(=O)c1cccc(F)c1O ZINC001124879061 1131366098 /nfs/dbraw/zinc/36/60/98/1131366098.db2.gz UXHMRWCSBADLID-SNVBAGLBSA-N 0 1 291.297 3.504 20 0 CHADMN CC(C)(C)C1CCN(C[C@H](O)c2c(F)cccc2F)CC1 ZINC000734835645 1129323863 /nfs/dbraw/zinc/32/38/63/1129323863.db2.gz DDVMEYPFITVKJC-HNNXBMFYSA-N 0 1 297.389 3.756 20 0 CHADMN CC(=O)CN[C@H](CCc1ccccc1)c1ccccc1 ZINC000639562189 1129324024 /nfs/dbraw/zinc/32/40/24/1129324024.db2.gz SYSOPMHAVIQOSX-GOSISDBHSA-N 0 1 267.372 3.539 20 0 CHADMN Clc1ccc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)nc1 ZINC000639694884 1129329673 /nfs/dbraw/zinc/32/96/73/1129329673.db2.gz ODNWUXOGXNETOI-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](c3cccnc3)C2)nc1 ZINC000639694884 1129329678 /nfs/dbraw/zinc/32/96/78/1129329678.db2.gz ODNWUXOGXNETOI-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN COc1cccc(-c2nc(CN3CCC34CCCC4)co2)c1 ZINC000639719552 1129331396 /nfs/dbraw/zinc/33/13/96/1129331396.db2.gz JNTAWRSIKZHQSS-UHFFFAOYSA-N 0 1 298.386 3.869 20 0 CHADMN COc1cccc(-c2nc(CN3C[C@@H]4CCCC[C@@H]43)co2)c1 ZINC000639748814 1129331919 /nfs/dbraw/zinc/33/19/19/1129331919.db2.gz CJDNXFAXMBBUND-YOEHRIQHSA-N 0 1 298.386 3.725 20 0 CHADMN C[C@H](NCc1nc(C2CCC2)no1)C1CCC(F)(F)CC1 ZINC000639750437 1129331956 /nfs/dbraw/zinc/33/19/56/1129331956.db2.gz ODRGVTZLQVCZSO-JTQLQIEISA-N 0 1 299.365 3.641 20 0 CHADMN CC(C)Oc1ccccc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639779845 1129333340 /nfs/dbraw/zinc/33/33/40/1129333340.db2.gz AEWWDKPFRMNDCH-INIZCTEOSA-N 0 1 285.391 3.534 20 0 CHADMN CC(C)Oc1ccccc1CN1CCC[C@H]1c1cn[nH]c1 ZINC000639779845 1129333344 /nfs/dbraw/zinc/33/33/44/1129333344.db2.gz AEWWDKPFRMNDCH-INIZCTEOSA-N 0 1 285.391 3.534 20 0 CHADMN Cc1cc(C)c(CN2CCC[C@@H]2c2ncccn2)c(C)c1 ZINC000639842168 1129336015 /nfs/dbraw/zinc/33/60/15/1129336015.db2.gz BMXOZBUQJAVGLG-QGZVFWFLSA-N 0 1 281.403 3.739 20 0 CHADMN c1cnc([C@@H]2CCCN2Cc2cccc3ccccc32)nc1 ZINC000639840993 1129336577 /nfs/dbraw/zinc/33/65/77/1129336577.db2.gz QSEHRVPQWFZFHM-SFHVURJKSA-N 0 1 289.382 3.967 20 0 CHADMN CCCCC[C@H](CC)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795511660 1129345487 /nfs/dbraw/zinc/34/54/87/1129345487.db2.gz QWZSZWRNDRVRPT-LBPRGKRZSA-N 0 1 281.400 3.578 20 0 CHADMN CCCCC[C@H](CC)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795511660 1129345489 /nfs/dbraw/zinc/34/54/89/1129345489.db2.gz QWZSZWRNDRVRPT-LBPRGKRZSA-N 0 1 281.400 3.578 20 0 CHADMN CCc1n[nH]cc1-c1nc(-c2ccc3ccccc3c2)no1 ZINC001212885261 1129357495 /nfs/dbraw/zinc/35/74/95/1129357495.db2.gz CUDHSFAAZNBAEW-UHFFFAOYSA-N 0 1 290.326 3.842 20 0 CHADMN CCCCCCN(C)Cc1nc(-c2ccccc2)no1 ZINC000735790766 1129357598 /nfs/dbraw/zinc/35/75/98/1129357598.db2.gz CPBAHFYAZLTPCR-UHFFFAOYSA-N 0 1 273.380 3.749 20 0 CHADMN O=C(c1cc(C(F)F)[nH]n1)N1CCCC[C@@H]1CC1CCC1 ZINC000640710333 1129365227 /nfs/dbraw/zinc/36/52/27/1129365227.db2.gz LVFKESRIBQCYBH-LLVKDONJSA-N 0 1 297.349 3.532 20 0 CHADMN Cc1cccc([C@@H](C)OC(=O)[C@@H](C)N2CCCCCC2)c1 ZINC000736027753 1129368174 /nfs/dbraw/zinc/36/81/74/1129368174.db2.gz CXLULQMHJNHKRA-HZPDHXFCSA-N 0 1 289.419 3.864 20 0 CHADMN Cc1cccc2ncc(Nc3ccc(CO)c(Cl)c3)n21 ZINC001212891136 1129373489 /nfs/dbraw/zinc/37/34/89/1129373489.db2.gz RCJFSGIHNDPBJU-UHFFFAOYSA-N 0 1 287.750 3.532 20 0 CHADMN C[C@@H]1CCC[C@H](CCn2cc([C@H](N)c3ccccc3)nn2)C1 ZINC000641140352 1129374974 /nfs/dbraw/zinc/37/49/74/1129374974.db2.gz AEJIJKAJCKIQEH-IIDMSEBBSA-N 0 1 298.434 3.543 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1c(C)cccc1F)CC2 ZINC000766217396 1129375465 /nfs/dbraw/zinc/37/54/65/1129375465.db2.gz YZYSOHDYOVWBPT-GOSISDBHSA-N 0 1 285.362 3.920 20 0 CHADMN c1cn(-c2ccccc2)c(CN2CCCC3(CC3)CC2)n1 ZINC000626115491 1129384924 /nfs/dbraw/zinc/38/49/24/1129384924.db2.gz VNLUMRZMZLYXIC-UHFFFAOYSA-N 0 1 281.403 3.638 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccc(OC(F)F)cc2)s1 ZINC000179130297 1129390370 /nfs/dbraw/zinc/39/03/70/1129390370.db2.gz PMSJKRYZYNJWOJ-VIFPVBQESA-N 0 1 298.358 3.904 20 0 CHADMN COc1cc(CN[C@H](C)c2cnc(C)s2)ccc1C ZINC000179138247 1129391231 /nfs/dbraw/zinc/39/12/31/1129391231.db2.gz RIFKFHKOJVYUPZ-LLVKDONJSA-N 0 1 276.405 3.619 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)C[C@@H](N[C@H](C)C(F)F)CC3 ZINC000641792635 1129393309 /nfs/dbraw/zinc/39/33/09/1129393309.db2.gz XTEHJOXVUOXLFY-MNOVXSKESA-N 0 1 278.346 3.577 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)C[C@@H](N[C@@H](C)C(F)F)CC3 ZINC000641792640 1129393496 /nfs/dbraw/zinc/39/34/96/1129393496.db2.gz XTEHJOXVUOXLFY-QWRGUYRKSA-N 0 1 278.346 3.577 20 0 CHADMN C[C@H]1c2ccc(F)cc2CCN1C[C@H]1CC1(Cl)Cl ZINC000738882745 1129399473 /nfs/dbraw/zinc/39/94/73/1129399473.db2.gz UMWCHISDUYMVOZ-GXSJLCMTSA-N 0 1 288.193 3.939 20 0 CHADMN CCCc1ccc(CNCc2cccnc2OCC)cc1 ZINC000642341228 1129414085 /nfs/dbraw/zinc/41/40/85/1129414085.db2.gz GGRAMBQOMFYNNX-UHFFFAOYSA-N 0 1 284.403 3.723 20 0 CHADMN Cc1nc2cc(Nc3ccc4c(c3)[C@@H](O)CCC4)ccc2[nH]1 ZINC001213076623 1129414945 /nfs/dbraw/zinc/41/49/45/1129414945.db2.gz VSZUPAUQZVCMQT-SFHVURJKSA-N 0 1 293.370 3.985 20 0 CHADMN Cc1cc2nccn2cc1NCCC1=CCCCC1 ZINC001168772072 1129420235 /nfs/dbraw/zinc/42/02/35/1129420235.db2.gz MYNWKZZQPCBELW-UHFFFAOYSA-N 0 1 255.365 3.945 20 0 CHADMN Cc1ccc(NC(=O)c2cc(-c3ccoc3)n[nH]2)c(C)c1 ZINC000642652859 1129422905 /nfs/dbraw/zinc/42/29/05/1129422905.db2.gz GYQBRJIXRQJKIZ-UHFFFAOYSA-N 0 1 281.315 3.539 20 0 CHADMN CC1(C)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093460345 1129423877 /nfs/dbraw/zinc/42/38/77/1129423877.db2.gz NTUGKXOKWIEKCT-UHFFFAOYSA-N 0 1 260.164 3.683 20 0 CHADMN Cc1cccc(C)c1COC(=O)[C@H](C)N1CCCCCC1 ZINC000741025763 1129426994 /nfs/dbraw/zinc/42/69/94/1129426994.db2.gz IRDIYQNDSVPVTM-INIZCTEOSA-N 0 1 289.419 3.611 20 0 CHADMN c1ccc(-c2n[nH]c(SCC3CCCC3)n2)cc1 ZINC000643093562 1129428113 /nfs/dbraw/zinc/42/81/13/1129428113.db2.gz HVENMSBCNODDLK-UHFFFAOYSA-N 0 1 259.378 3.754 20 0 CHADMN CCCN(C)CC(=O)N(CC)c1ccc2ccccc2c1 ZINC000741209257 1129431632 /nfs/dbraw/zinc/43/16/32/1129431632.db2.gz ILTWFGNXOKZQHK-UHFFFAOYSA-N 0 1 284.403 3.535 20 0 CHADMN Fc1ccc(C(F)(F)F)cc1-c1nccc2[nH]cnc21 ZINC001241095596 1129440865 /nfs/dbraw/zinc/44/08/65/1129440865.db2.gz ACBZWUHZHPFKSL-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN FC(F)(F)CO[C@@H]1CCCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000643371612 1129441002 /nfs/dbraw/zinc/44/10/02/1129441002.db2.gz UTEKFVCVBMOQIM-RBSFLKMASA-N 0 1 299.336 3.586 20 0 CHADMN Cc1cnc(=S)n(C[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2)c1 ZINC000795748882 1129446216 /nfs/dbraw/zinc/44/62/16/1129446216.db2.gz ZPCWDGXYGIYUBU-BBRMVZONSA-N 0 1 299.443 3.962 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1ccccc1C1CC1 ZINC000094529143 1129446814 /nfs/dbraw/zinc/44/68/14/1129446814.db2.gz RSRXTCUAYVKXLQ-MRXNPFEDSA-N 0 1 287.403 3.783 20 0 CHADMN CC(C)n1cncc1CNC1(c2ccc(F)cc2)CCC1 ZINC000643758495 1129449217 /nfs/dbraw/zinc/44/92/17/1129449217.db2.gz YSGJMHXDKIACKQ-UHFFFAOYSA-N 0 1 287.382 3.772 20 0 CHADMN Clc1ncccc1CNc1nccn1-c1ccccc1 ZINC000795805700 1129449639 /nfs/dbraw/zinc/44/96/39/1129449639.db2.gz LGLSNCICZPKIMI-UHFFFAOYSA-N 0 1 284.750 3.533 20 0 CHADMN CC(C)Cc1ccc(C[N@@H+](CC(=O)[O-])C2CCCC2)cc1 ZINC000094904654 1129455132 /nfs/dbraw/zinc/45/51/32/1129455132.db2.gz JZWBREZENGUNPW-UHFFFAOYSA-N 0 1 289.419 3.714 20 0 CHADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1CCCCF ZINC000795909701 1129457135 /nfs/dbraw/zinc/45/71/35/1129457135.db2.gz SZDTVGIOLYFJQF-IIAWOOMASA-N 0 1 265.372 3.587 20 0 CHADMN COc1ccc(F)c(-c2ccc(CN(C)C)c(F)c2)c1F ZINC001241143576 1129466313 /nfs/dbraw/zinc/46/63/13/1129466313.db2.gz UHEHKPMRLNYLRS-UHFFFAOYSA-N 0 1 295.304 3.841 20 0 CHADMN CCc1ccc(CNCc2c(C)cccc2F)cc1 ZINC000742380501 1129473005 /nfs/dbraw/zinc/47/30/05/1129473005.db2.gz NABBVIPISKALCV-UHFFFAOYSA-N 0 1 257.352 3.986 20 0 CHADMN c1n[nH]cc1CNCc1ccc(C2CCCCC2)cc1 ZINC000644890024 1129479276 /nfs/dbraw/zinc/47/92/76/1129479276.db2.gz AUIQZWKWNWSPRG-UHFFFAOYSA-N 0 1 269.392 3.747 20 0 CHADMN CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1cccc([O-])c1Cl ZINC000645160846 1129489130 /nfs/dbraw/zinc/48/91/30/1129489130.db2.gz LTEARERIZLVONY-CZUORRHYSA-N 0 1 297.826 3.586 20 0 CHADMN CC1(C)CC(C[NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000645175055 1129490290 /nfs/dbraw/zinc/49/02/90/1129490290.db2.gz ZDHGADMFMHXADS-UHFFFAOYSA-N 0 1 253.773 3.571 20 0 CHADMN CCCCCC[C@@](C)(CCC)C(=O)Nc1nnc(C)[nH]1 ZINC000742634128 1129491791 /nfs/dbraw/zinc/49/17/91/1129491791.db2.gz WINOYSFAYDODIR-OAHLLOKOSA-N 0 1 280.416 3.828 20 0 CHADMN CCCCCC[C@](C)(CCC)C(=O)N[C@H]1CCCN(C)C1 ZINC000742641083 1129492747 /nfs/dbraw/zinc/49/27/47/1129492747.db2.gz ZNEQDNLXMXZDSA-WMZOPIPTSA-N 0 1 296.499 3.974 20 0 CHADMN COc1ccncc1CN[C@@H]1c2ccccc2CC[C@H]1C ZINC000645467285 1129498485 /nfs/dbraw/zinc/49/84/85/1129498485.db2.gz TZFHFJPPJVBMLL-ACJLOTCBSA-N 0 1 282.387 3.503 20 0 CHADMN CC(=O)CCN(Cc1ccccc1Cl)CC1CC1 ZINC000796259717 1129501771 /nfs/dbraw/zinc/50/17/71/1129501771.db2.gz IOMMMVOBFIGSAQ-UHFFFAOYSA-N 0 1 265.784 3.531 20 0 CHADMN Cc1cccc(CCN2CC[C@@H]2c2cccc(F)c2)n1 ZINC000645812012 1129508390 /nfs/dbraw/zinc/50/83/90/1129508390.db2.gz FUZRYTAHZJJWPQ-QGZVFWFLSA-N 0 1 270.351 3.519 20 0 CHADMN FC(F)(F)CCNC1(c2ccccc2Cl)CC1 ZINC000645977023 1129515325 /nfs/dbraw/zinc/51/53/25/1129515325.db2.gz LZRXODZJIPERAS-UHFFFAOYSA-N 0 1 263.690 3.871 20 0 CHADMN COc1ccccc1C1(NCc2cccc(N(C)C)c2)CC1 ZINC000646000794 1129516485 /nfs/dbraw/zinc/51/64/85/1129516485.db2.gz VOXRHCSMIJJEOT-UHFFFAOYSA-N 0 1 296.414 3.540 20 0 CHADMN Cc1cccnc1CNC1(c2cccc(F)c2)CCC1 ZINC000646002106 1129517030 /nfs/dbraw/zinc/51/70/30/1129517030.db2.gz NHUZHKFCSGAMNG-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN Cc1ccc(CN(Cc2ccc(C)nc2C)CC2CC2)cn1 ZINC000646020343 1129517214 /nfs/dbraw/zinc/51/72/14/1129517214.db2.gz VIWSYPVARLBMRW-UHFFFAOYSA-N 0 1 295.430 3.814 20 0 CHADMN Cc1ccc(CN(Cc2ccc(C)nc2)CC2CC2)nc1 ZINC000646019947 1129517614 /nfs/dbraw/zinc/51/76/14/1129517614.db2.gz VFVCJMKYCIYYGR-UHFFFAOYSA-N 0 1 281.403 3.506 20 0 CHADMN Fc1ccccc1C1(NCc2ccccc2)CCC1 ZINC000646026506 1129518301 /nfs/dbraw/zinc/51/83/01/1129518301.db2.gz RWQYQTBNUMNXPE-UHFFFAOYSA-N 0 1 255.336 3.995 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cn2cc[nH]c2=S)cc1C ZINC000743355468 1129520592 /nfs/dbraw/zinc/52/05/92/1129520592.db2.gz DBQQFNACVXKRIK-OAHLLOKOSA-N 0 1 287.432 3.583 20 0 CHADMN CCc1nocc1CN1CCc2ccccc2[C@H]1CC ZINC000646087839 1129521454 /nfs/dbraw/zinc/52/14/54/1129521454.db2.gz OXFMSKGPDWZJJA-QGZVFWFLSA-N 0 1 270.376 3.746 20 0 CHADMN C[C@@H](c1cnccn1)N1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646117884 1129524603 /nfs/dbraw/zinc/52/46/03/1129524603.db2.gz BFYHVTVACKKDEG-MAUKXSAKSA-N 0 1 291.398 3.931 20 0 CHADMN CCCCC[C@H](C)NC(=O)[C@H](c1ccccc1)N(C)CC ZINC000303136632 1129530340 /nfs/dbraw/zinc/53/03/40/1129530340.db2.gz CXXCVTLMEHDTQV-RDJZCZTQSA-N 0 1 290.451 3.764 20 0 CHADMN CC(C)[C@@]1(CO)CCCN(Cc2cscc2Cl)C1 ZINC000646287855 1129531253 /nfs/dbraw/zinc/53/12/53/1129531253.db2.gz KDBJZRFGWHSLCA-AWEZNQCLSA-N 0 1 287.856 3.632 20 0 CHADMN c1ccc2cc(CN3C[C@]4(CCCO4)[C@@H]3C3CC3)ccc2c1 ZINC000646295320 1129531702 /nfs/dbraw/zinc/53/17/02/1129531702.db2.gz MSYSQEXCKOXYBS-VQTJNVASSA-N 0 1 293.410 3.983 20 0 CHADMN CCc1ccc(CN(C)Cc2cccc(Cl)n2)cc1 ZINC000743839235 1129538749 /nfs/dbraw/zinc/53/87/49/1129538749.db2.gz PJWXZWQQQKSTNQ-UHFFFAOYSA-N 0 1 274.795 3.929 20 0 CHADMN C[C@@H]1C[C@H](c2cccc(F)c2)N(C/C=C\Cl)C1 ZINC000743854672 1129540284 /nfs/dbraw/zinc/54/02/84/1129540284.db2.gz HQXRBWMPFITNTJ-DTVHNAJLSA-N 0 1 253.748 3.961 20 0 CHADMN CC[C@@]1(C)CCCN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000743860317 1129541239 /nfs/dbraw/zinc/54/12/39/1129541239.db2.gz ASYCSXXVTPJFHG-ZBFHGGJFSA-N 0 1 283.362 3.510 20 0 CHADMN COc1cc(N[C@H](C)c2cn[nH]c2C)c(OC)cc1Cl ZINC000181222593 1129543866 /nfs/dbraw/zinc/54/38/66/1129543866.db2.gz XBKOMSAECQLMHH-MRVPVSSYSA-N 0 1 295.770 3.562 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1ccccc1N1CCCCC1 ZINC000181267455 1129544575 /nfs/dbraw/zinc/54/45/75/1129544575.db2.gz VUPGIJHQDJAJPS-CQSZACIVSA-N 0 1 298.434 3.559 20 0 CHADMN Cc1oc(C)c(C(=O)Nc2nc3ccc(C)cc3[nH]2)c1C ZINC000646982456 1129548076 /nfs/dbraw/zinc/54/80/76/1129548076.db2.gz VWRAWWYWZXTMBV-UHFFFAOYSA-N 0 1 283.331 3.642 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@@H](C)C3CCCC3)[nH]c2c1 ZINC000646984429 1129548661 /nfs/dbraw/zinc/54/86/61/1129548661.db2.gz SEELPWFBXXOBQE-NSHDSACASA-N 0 1 271.364 3.636 20 0 CHADMN C1CN[C@H](c2noc([C@@H]3CCC[C@@H]4CCCC[C@H]34)n2)C1 ZINC000647145519 1129551942 /nfs/dbraw/zinc/55/19/42/1129551942.db2.gz YAZIGYZIIGWOLO-FQUUOJAGSA-N 0 1 275.396 3.568 20 0 CHADMN CCC[C@@H](CC1CCCC1)c1nc([C@H]2CCCN2)no1 ZINC000647149937 1129552187 /nfs/dbraw/zinc/55/21/87/1129552187.db2.gz WGOUIFGJHWBPKK-UONOGXRCSA-N 0 1 277.412 3.958 20 0 CHADMN Fc1ccccc1-c1ccc(-c2nc([C@@H]3CCCN3)no2)o1 ZINC000647154838 1129552617 /nfs/dbraw/zinc/55/26/17/1129552617.db2.gz LJQMGMRFYQTDBO-LBPRGKRZSA-N 0 1 299.305 3.560 20 0 CHADMN Fc1ccccc1C1(NCc2ccc3c[nH]nc3c2)CCC1 ZINC000647237408 1129559826 /nfs/dbraw/zinc/55/98/26/1129559826.db2.gz YDOJDHKLDSCJME-UHFFFAOYSA-N 0 1 295.361 3.871 20 0 CHADMN Cc1ccc(C2(NCc3cnc(C4CC4)nc3)CCC2)cc1 ZINC000647254950 1129561111 /nfs/dbraw/zinc/56/11/11/1129561111.db2.gz RRSBBTLUKWXCKH-UHFFFAOYSA-N 0 1 293.414 3.831 20 0 CHADMN Cc1cccc(CN[C@@H](CC(C)C)c2ccncc2)n1 ZINC000647284058 1129563600 /nfs/dbraw/zinc/56/36/00/1129563600.db2.gz ZSJSOEPDTMUABE-KRWDZBQOSA-N 0 1 269.392 3.662 20 0 CHADMN COc1ccc([C@H](CC(C)C)NCc2cnc(C)o2)cc1 ZINC000647307216 1129567226 /nfs/dbraw/zinc/56/72/26/1129567226.db2.gz VLGWIEHWNHKSMO-KRWDZBQOSA-N 0 1 288.391 3.869 20 0 CHADMN C[C@H](NC1(c2cccc(Cl)c2)CCC1)c1cn[nH]c1 ZINC000647348964 1129573390 /nfs/dbraw/zinc/57/33/90/1129573390.db2.gz LXTYKEJBFBHYBY-NSHDSACASA-N 0 1 275.783 3.793 20 0 CHADMN Cc1ccc(C2(N[C@H](C)c3cc4n(n3)CCC4)CCC2)cc1 ZINC000647353265 1129574329 /nfs/dbraw/zinc/57/43/29/1129574329.db2.gz VEHACEZHXQUTGW-OAHLLOKOSA-N 0 1 295.430 3.868 20 0 CHADMN CC(C)(C)C[C@@H]1C[C@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000647400893 1129576739 /nfs/dbraw/zinc/57/67/39/1129576739.db2.gz DSUGDLNCNLFLMJ-GXTWGEPZSA-N 0 1 296.374 3.924 20 0 CHADMN CCCCOC(=O)[C@H](C)Sc1nc2ccc(C)cc2[nH]1 ZINC000303854294 1129577170 /nfs/dbraw/zinc/57/71/70/1129577170.db2.gz FDJXPXVNMPWXTC-NSHDSACASA-N 0 1 292.404 3.695 20 0 CHADMN CC(C)C[C@H]1CCN(Cn2ccn(C(C)C)c2=S)C1 ZINC000744437067 1129577204 /nfs/dbraw/zinc/57/72/04/1129577204.db2.gz DOWBXKYSCMLLRP-CQSZACIVSA-N 0 1 281.469 3.925 20 0 CHADMN CC[C@H]1C[C@H](C)CN1Cn1c2ccccc2n(C)c1=S ZINC000744442277 1129578201 /nfs/dbraw/zinc/57/82/01/1129578201.db2.gz BEVMGVHCLROTJJ-STQMWFEESA-N 0 1 289.448 3.787 20 0 CHADMN O=C(CC1CCCCCC1)Nc1n[nH]c2cc(O)ccc21 ZINC000647803133 1129584784 /nfs/dbraw/zinc/58/47/84/1129584784.db2.gz FDNQUOKFIWSINN-UHFFFAOYSA-N 0 1 287.363 3.568 20 0 CHADMN CCc1nn(C)c(CC)c1CNC1(c2ccccc2C)CC1 ZINC000648052231 1129593806 /nfs/dbraw/zinc/59/38/06/1129593806.db2.gz WHKHCCAQOOQUPN-UHFFFAOYSA-N 0 1 297.446 3.632 20 0 CHADMN CC1(CC(F)F)CN(Cc2coc3ccccc23)C1 ZINC000648058942 1129594158 /nfs/dbraw/zinc/59/41/58/1129594158.db2.gz MBMGDYKPVNBBPO-UHFFFAOYSA-N 0 1 265.303 3.910 20 0 CHADMN CC1(CC(F)F)CN(Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000648058538 1129595199 /nfs/dbraw/zinc/59/51/99/1129595199.db2.gz PNFKQFGPZLNPDV-UHFFFAOYSA-N 0 1 295.373 3.877 20 0 CHADMN CCCN[C@H](C)c1nc(CSc2ccc(F)cc2)no1 ZINC000097331234 1129596739 /nfs/dbraw/zinc/59/67/39/1129596739.db2.gz BMBZCYRFAGJCAS-SNVBAGLBSA-N 0 1 295.383 3.562 20 0 CHADMN Cc1cc(CN2C[C@H](C)OC3(CCCC3)C2)cs1 ZINC000648076928 1129596992 /nfs/dbraw/zinc/59/69/92/1129596992.db2.gz QYXPTDKUAVUVJW-LBPRGKRZSA-N 0 1 265.422 3.590 20 0 CHADMN C[C@H](N[C@@H]1CSCc2ccccc21)c1cccnc1 ZINC000037229107 1129597383 /nfs/dbraw/zinc/59/73/83/1129597383.db2.gz BMSIXXQCXZKSNU-BLLLJJGKSA-N 0 1 270.401 3.720 20 0 CHADMN CC[C@@H]1C[N@@H+](Cc2cc3cc(Cl)cnc3o2)CCS1 ZINC000648374754 1129604868 /nfs/dbraw/zinc/60/48/68/1129604868.db2.gz VJKHZOYOJPVJRJ-CYBMUJFWSA-N 0 1 296.823 3.809 20 0 CHADMN CC[C@@H]1CN(Cc2cc3cc(Cl)cnc3o2)CCS1 ZINC000648374754 1129604869 /nfs/dbraw/zinc/60/48/69/1129604869.db2.gz VJKHZOYOJPVJRJ-CYBMUJFWSA-N 0 1 296.823 3.809 20 0 CHADMN CN(Cc1sccc1Cl)C[C@](C)(O)c1ccccc1 ZINC000822515710 1131385540 /nfs/dbraw/zinc/38/55/40/1131385540.db2.gz FGXSVTDBPRPCCX-HNNXBMFYSA-N 0 1 295.835 3.741 20 0 CHADMN Cc1nc2cc(Nc3ccc4ncoc4c3)ccc2[nH]1 ZINC001213073155 1129614312 /nfs/dbraw/zinc/61/43/12/1129614312.db2.gz GWUKEGCJOFZACP-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1cccc2nc[nH]c21 ZINC001136595963 1131385810 /nfs/dbraw/zinc/38/58/10/1131385810.db2.gz QPAPFPOOFVYDTK-DZGCQCFKSA-N 0 1 299.418 3.898 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(C)oc2C)cc1OC ZINC000746048279 1129623407 /nfs/dbraw/zinc/62/34/07/1129623407.db2.gz ZYTPXWKBBBQMAH-GFCCVEGCSA-N 0 1 289.375 3.764 20 0 CHADMN CO[C@H](CN[C@@H](C)c1ccc(SC)cc1)C(F)(F)F ZINC000746046604 1129623637 /nfs/dbraw/zinc/62/36/37/1129623637.db2.gz BQIREBXSALEYMX-JOYOIKCWSA-N 0 1 293.354 3.636 20 0 CHADMN CC/C=C\CNCc1csc(-c2ccc(OC)cc2)n1 ZINC000648716638 1129623947 /nfs/dbraw/zinc/62/39/47/1129623947.db2.gz ALKTXTISSDXKSY-PLNGDYQASA-N 0 1 288.416 3.875 20 0 CHADMN CCO[C@@H]1CCN(Cc2cscc2Cl)C[C@H]1C ZINC000648740970 1129624339 /nfs/dbraw/zinc/62/43/39/1129624339.db2.gz ABMGGCIGRSDPOK-ZWNOBZJWSA-N 0 1 273.829 3.648 20 0 CHADMN FC(F)(F)c1cccnc1C[N@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000648761996 1129625154 /nfs/dbraw/zinc/62/51/54/1129625154.db2.gz DVNOUMYLMUNNQF-IUODEOHRSA-N 0 1 296.336 3.721 20 0 CHADMN FC(F)(F)c1cccnc1CN1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000648761996 1129625158 /nfs/dbraw/zinc/62/51/58/1129625158.db2.gz DVNOUMYLMUNNQF-IUODEOHRSA-N 0 1 296.336 3.721 20 0 CHADMN CCCCN(Cc1noc2c1CC(C)(C)CC2)C1CC1 ZINC001459311610 1129627352 /nfs/dbraw/zinc/62/73/52/1129627352.db2.gz OWKOTANIPGVVMA-UHFFFAOYSA-N 0 1 276.424 3.954 20 0 CHADMN CCc1ccc(CN(CC(C)C)C(=O)c2cnc(C)[nH]2)cc1 ZINC000648956913 1129630497 /nfs/dbraw/zinc/63/04/97/1129630497.db2.gz AQZXWYLQPILEBV-UHFFFAOYSA-N 0 1 299.418 3.579 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1ccc(Cl)c(C)c1 ZINC000186761156 1129634074 /nfs/dbraw/zinc/63/40/74/1129634074.db2.gz HQKVBXYXIRUWFZ-JTQLQIEISA-N 0 1 263.772 3.531 20 0 CHADMN Cc1cc(C)cc([C@@H](O)CN(C)Cc2ccccc2F)c1 ZINC000097986998 1129634175 /nfs/dbraw/zinc/63/41/75/1129634175.db2.gz PWELPRRIHXOZQZ-SFHVURJKSA-N 0 1 287.378 3.608 20 0 CHADMN Cc1nc(CNC2CC(c3ccc(C)cc3)C2)cs1 ZINC000041010528 1129634576 /nfs/dbraw/zinc/63/45/76/1129634576.db2.gz OVCMCDNNRGMIDU-UHFFFAOYSA-N 0 1 272.417 3.796 20 0 CHADMN C[C@H](CN1CCO[C@@H](c2cccc(F)c2)C1)C(C)(C)C ZINC001459425683 1129634615 /nfs/dbraw/zinc/63/46/15/1129634615.db2.gz LCJZMUXSKKFBLR-CZUORRHYSA-N 0 1 279.399 3.881 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)c1ccccn1)[C@H]1CCCCO1 ZINC000379179358 1129635888 /nfs/dbraw/zinc/63/58/88/1129635888.db2.gz OMRFKDHGUDGGNE-KFKAGJAMSA-N 0 1 296.414 3.718 20 0 CHADMN CC1(C)CC[C@H](CN[C@@H](c2ccco2)c2ccccc2)O1 ZINC000187841742 1129636641 /nfs/dbraw/zinc/63/66/41/1129636641.db2.gz BMIRDHJHBRMJMV-NVXWUHKLSA-N 0 1 285.387 3.916 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1ccccc1OC(F)F ZINC001241953223 1129640110 /nfs/dbraw/zinc/64/01/10/1129640110.db2.gz GOSHUJPWWJRPLK-UHFFFAOYSA-N 0 1 278.233 3.970 20 0 CHADMN CC(F)(F)CCCNc1cc[nH+]c2c([O-])cccc12 ZINC000649380950 1129643375 /nfs/dbraw/zinc/64/33/75/1129643375.db2.gz ROZJNAPCGIYAOP-UHFFFAOYSA-N 0 1 266.291 3.788 20 0 CHADMN CN(C)Cc1ccc(-c2cc(C(F)(F)F)ccn2)cc1F ZINC000649438043 1129648852 /nfs/dbraw/zinc/64/88/52/1129648852.db2.gz QSBGMQUYOVJZQM-UHFFFAOYSA-N 0 1 298.283 3.968 20 0 CHADMN CCn1ccc(CN(C)Cc2ccc(Cl)c(OC)c2)c1 ZINC000649479953 1129652061 /nfs/dbraw/zinc/65/20/61/1129652061.db2.gz JEINCVHBYQUHLS-UHFFFAOYSA-N 0 1 292.810 3.802 20 0 CHADMN CC[C@@H](OCCN1CC2(C1)CC(F)(F)C2)c1ccccc1 ZINC000649570777 1129658583 /nfs/dbraw/zinc/65/85/83/1129658583.db2.gz ODXOFDUQZKKVSE-OAHLLOKOSA-N 0 1 295.373 3.885 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cc3n(n2)CCCC3)cc1 ZINC000649576251 1129658910 /nfs/dbraw/zinc/65/89/10/1129658910.db2.gz REOOXYKKAYSRMC-UHFFFAOYSA-N 0 1 297.446 3.807 20 0 CHADMN CCC[C@@H](NCc1cc2n(n1)CCCC2)c1ccccc1 ZINC000649573725 1129658969 /nfs/dbraw/zinc/65/89/69/1129658969.db2.gz NKUZJUDDPVBJBT-GOSISDBHSA-N 0 1 283.419 3.850 20 0 CHADMN CC(C)C[C@H](NCc1cc2n(n1)CCC2)c1ccccc1 ZINC000649573636 1129659188 /nfs/dbraw/zinc/65/91/88/1129659188.db2.gz KQPNNMYMEWITRL-SFHVURJKSA-N 0 1 283.419 3.706 20 0 CHADMN CC(C)N(Cc1cc2n(n1)CCC2)[C@H](C)c1ccccc1 ZINC000649616937 1129663173 /nfs/dbraw/zinc/66/31/73/1129663173.db2.gz UPNWALMCPNIGNW-OAHLLOKOSA-N 0 1 283.419 3.801 20 0 CHADMN COc1ccnc(CNC2(c3ccccc3C)CCC2)c1 ZINC000649645380 1129665409 /nfs/dbraw/zinc/66/54/09/1129665409.db2.gz RNRSZNQOVKYDNT-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN Cc1ccnc(NCCCCc2ccccn2)c1C ZINC001168792808 1129666206 /nfs/dbraw/zinc/66/62/06/1129666206.db2.gz DMYPLOLJRBPTGN-UHFFFAOYSA-N 0 1 255.365 3.528 20 0 CHADMN Cc1nc2ccc(-c3ccccc3N(C)C)cc2[nH]1 ZINC001242180766 1129667792 /nfs/dbraw/zinc/66/77/92/1129667792.db2.gz BNOQOPVGPPHCMO-UHFFFAOYSA-N 0 1 251.333 3.604 20 0 CHADMN COc1cc([C@@H](C)NCCF)ccc1SC(F)F ZINC000798000569 1129668165 /nfs/dbraw/zinc/66/81/65/1129668165.db2.gz ZVAFBTLLZSZGNI-MRVPVSSYSA-N 0 1 279.327 3.630 20 0 CHADMN c1c(CNCCC2=CCCCCC2)nnn1-c1ccccc1 ZINC000766465835 1129669018 /nfs/dbraw/zinc/66/90/18/1129669018.db2.gz DCPAGYCUPNDASB-UHFFFAOYSA-N 0 1 296.418 3.638 20 0 CHADMN CC(C)O[C@@H]1CCCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000649699059 1129672037 /nfs/dbraw/zinc/67/20/37/1129672037.db2.gz IFDFXVAMNWQWPE-TZMCWYRMSA-N 0 1 283.362 3.915 20 0 CHADMN FC(F)Oc1ccnc(NCCCCc2ccccn2)c1 ZINC001168802129 1129673308 /nfs/dbraw/zinc/67/33/08/1129673308.db2.gz BHGABOFXLDEQFQ-UHFFFAOYSA-N 0 1 293.317 3.513 20 0 CHADMN Cc1ncc(CN2CCCC[C@@H]2Cc2ccccc2F)cn1 ZINC000649794370 1129677651 /nfs/dbraw/zinc/67/76/51/1129677651.db2.gz ICFXESZMUCBUHC-QGZVFWFLSA-N 0 1 299.393 3.521 20 0 CHADMN Fc1ccccc1-c1cnc(CNC2(C3CCC3)CC2)o1 ZINC000649808983 1129679044 /nfs/dbraw/zinc/67/90/44/1129679044.db2.gz YORANEVHZRHFHT-UHFFFAOYSA-N 0 1 286.350 3.903 20 0 CHADMN CC(C)C[C@@]1(C)CCCN1Cc1nc2ccccc2c(=O)[nH]1 ZINC000649828307 1129680674 /nfs/dbraw/zinc/68/06/74/1129680674.db2.gz MJPHOUYYYHAZSP-GOSISDBHSA-N 0 1 299.418 3.736 20 0 CHADMN CCc1nnc(CN2CCC[C@@]2(C)CC(C)C)s1 ZINC000649829049 1129680939 /nfs/dbraw/zinc/68/09/39/1129680939.db2.gz FLOYAMISDAOGJV-AWEZNQCLSA-N 0 1 267.442 3.501 20 0 CHADMN Cc1cnc(CN2CCc3ccc(F)cc3[C@H](C)C2)s1 ZINC000649894726 1129684112 /nfs/dbraw/zinc/68/41/12/1129684112.db2.gz SLKWLHPSUNBOIM-LLVKDONJSA-N 0 1 290.407 3.752 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)N1CC[C@@]2(CC2(F)F)C1 ZINC000649907550 1129686386 /nfs/dbraw/zinc/68/63/86/1129686386.db2.gz UTHAVMVIRAHOET-IINYFYTJSA-N 0 1 278.302 3.620 20 0 CHADMN FC1(F)C[C@]12CCN(Cc1cc(Cl)cc3c1OCC3)C2 ZINC000649907442 1129686637 /nfs/dbraw/zinc/68/66/37/1129686637.db2.gz ROTBGYAZERYSED-AWEZNQCLSA-N 0 1 299.748 3.506 20 0 CHADMN Cc1cnc(CN)n1-c1ccc(C)c(-c2ccccc2)c1 ZINC001169030949 1129690808 /nfs/dbraw/zinc/69/08/08/1129690808.db2.gz QGSWQFCDHJGIQS-UHFFFAOYSA-N 0 1 277.371 3.615 20 0 CHADMN CC(C)C[C@H](Cc1ccccc1)N(C)Cc1ncccn1 ZINC001169070174 1129695349 /nfs/dbraw/zinc/69/53/49/1129695349.db2.gz NYACUFXORCAGFA-QGZVFWFLSA-N 0 1 283.419 3.566 20 0 CHADMN Cc1cc(F)c2[nH]ccc2c1Nc1cc(=O)[nH]c(Cl)n1 ZINC001212974278 1129702661 /nfs/dbraw/zinc/70/26/61/1129702661.db2.gz UFBZIIDSHBIDEL-UHFFFAOYSA-N 0 1 292.701 3.508 20 0 CHADMN COc1cncc(CCNc2nccc3cc(C)ccc32)c1 ZINC001169263812 1129711103 /nfs/dbraw/zinc/71/11/03/1129711103.db2.gz XPNAYGQGSUKCAM-UHFFFAOYSA-N 0 1 293.370 3.601 20 0 CHADMN C[C@H]1CN(Cc2ccc(Cl)c(F)c2)C2(CC2)C1 ZINC001137654312 1131392547 /nfs/dbraw/zinc/39/25/47/1131392547.db2.gz JZXVKCSRAVRDAL-SNVBAGLBSA-N 0 1 253.748 3.854 20 0 CHADMN Cc1ccsc1CN1CCN(c2cccc(F)c2)CC1 ZINC001204023526 1129713652 /nfs/dbraw/zinc/71/36/52/1129713652.db2.gz HQWFSJJCBARSTR-UHFFFAOYSA-N 0 1 290.407 3.518 20 0 CHADMN CCOc1cccc(Cl)c1C[N@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC001169340867 1129719047 /nfs/dbraw/zinc/71/90/47/1129719047.db2.gz BNDYOXHRZVCKOV-LRDDRELGSA-N 0 1 297.826 3.596 20 0 CHADMN CCOc1cccc(Cl)c1CN1CC[C@H](C)[C@@H](OC)C1 ZINC001169340867 1129719049 /nfs/dbraw/zinc/71/90/49/1129719049.db2.gz BNDYOXHRZVCKOV-LRDDRELGSA-N 0 1 297.826 3.596 20 0 CHADMN Cc1nc([C@H](C)Sc2ccc(Cl)c(F)c2)n[nH]1 ZINC000651202063 1129732661 /nfs/dbraw/zinc/73/26/61/1129732661.db2.gz OKLFEMMSFDJAAE-LURJTMIESA-N 0 1 271.748 3.759 20 0 CHADMN CC[C@@H](N[C@H]1CCOc2cc(OC)ccc21)c1ccncc1 ZINC000651237083 1129734184 /nfs/dbraw/zinc/73/41/84/1129734184.db2.gz MSVPINUSSSPCIG-SJORKVTESA-N 0 1 298.386 3.655 20 0 CHADMN Cc1cc(C)c(CN[C@H]2CCc3c2cc(F)cc3F)cn1 ZINC000651473321 1129740043 /nfs/dbraw/zinc/74/00/43/1129740043.db2.gz TVAQPSRYAXSGQK-KRWDZBQOSA-N 0 1 288.341 3.754 20 0 CHADMN CCCN1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001169645653 1129743356 /nfs/dbraw/zinc/74/33/56/1129743356.db2.gz ZRMCNRWLHOOQGY-ZDUSSCGKSA-N 0 1 275.289 3.986 20 0 CHADMN CC[C@H](C)C[C@H](CC)NC(CC)(CC)C(=O)OC ZINC001258787025 1129744445 /nfs/dbraw/zinc/74/44/45/1129744445.db2.gz DLEBVLJHRFXAIU-STQMWFEESA-N 0 1 257.418 3.523 20 0 CHADMN COC[C@@H](CC(C)(C)C)N[C@H](C)c1ncc(C)s1 ZINC000651729450 1129746070 /nfs/dbraw/zinc/74/60/70/1129746070.db2.gz FPPJODMTQBYTLF-VXGBXAGGSA-N 0 1 270.442 3.553 20 0 CHADMN CC[C@]1(C)CCC[C@@H]1N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000651784060 1129747956 /nfs/dbraw/zinc/74/79/56/1129747956.db2.gz AFWNNUCGECCBFM-MQIPJXDCSA-N 0 1 279.428 3.987 20 0 CHADMN CCCc1nc(C)c(CNCc2cccc3c2CCC3)o1 ZINC000651816432 1129749348 /nfs/dbraw/zinc/74/93/48/1129749348.db2.gz TVRXHCFZQIKRLX-UHFFFAOYSA-N 0 1 284.403 3.714 20 0 CHADMN C[C@@H](O)[C@@H](N[C@@H](C)c1ccccc1)c1ccccc1F ZINC000651892666 1129750983 /nfs/dbraw/zinc/75/09/83/1129750983.db2.gz GKKNTJAXZAZDCE-OGHNNQOOSA-N 0 1 273.351 3.598 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cn3cccc(F)c3n1)CC2 ZINC000651959489 1129752728 /nfs/dbraw/zinc/75/27/28/1129752728.db2.gz OMINCVZQNLVGGO-QGZVFWFLSA-N 0 1 295.361 3.559 20 0 CHADMN CC(C)n1cncc1CN1CCc2ccccc2[C@H](C)C1 ZINC000651977320 1129754498 /nfs/dbraw/zinc/75/44/98/1129754498.db2.gz FHQPBUKMAUISBX-OAHLLOKOSA-N 0 1 283.419 3.626 20 0 CHADMN Cc1c(F)cc(-c2cc(N3CCCC3)ccn2)cc1F ZINC001242286423 1129756691 /nfs/dbraw/zinc/75/66/91/1129756691.db2.gz SIAPELUCWUZLHX-UHFFFAOYSA-N 0 1 274.314 3.935 20 0 CHADMN c1sc(C2CC2)nc1CNc1ccc2c(n1)CCCC2 ZINC000712353509 1129757540 /nfs/dbraw/zinc/75/75/40/1129757540.db2.gz RGLIAGWMAKIFOF-UHFFFAOYSA-N 0 1 285.416 3.906 20 0 CHADMN COc1ccc(Cl)c(CN2CCC(C)=C(C)C2)c1 ZINC001169831767 1129757851 /nfs/dbraw/zinc/75/78/51/1129757851.db2.gz CAGQXPJPQCKVOZ-UHFFFAOYSA-N 0 1 265.784 3.891 20 0 CHADMN CC[N@H+](Cc1ccoc1)Cc1c(Cl)cccc1C(=O)[O-] ZINC000652408309 1129764898 /nfs/dbraw/zinc/76/48/98/1129764898.db2.gz YCBOEWSEQBHNGM-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN CC[N@@H+](Cc1ccoc1)Cc1c(Cl)cccc1C(=O)[O-] ZINC000652408309 1129764901 /nfs/dbraw/zinc/76/49/01/1129764901.db2.gz YCBOEWSEQBHNGM-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000652408858 1129765037 /nfs/dbraw/zinc/76/50/37/1129765037.db2.gz AEKKOFFWHQGCID-SJORKVTESA-N 0 1 289.419 3.900 20 0 CHADMN CCCN(CCCc1cccc(C)c1)[C@@H](C)C(=O)OCC ZINC001169933588 1129765964 /nfs/dbraw/zinc/76/59/64/1129765964.db2.gz RANDLOPVNYNSCG-INIZCTEOSA-N 0 1 291.435 3.591 20 0 CHADMN COc1ccc(-c2cccc3nc(C)[nH]c32)cc1F ZINC001239579752 1131396580 /nfs/dbraw/zinc/39/65/80/1131396580.db2.gz ZCXPZORUZVMCLE-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CCCOc1ccc(OCCN2CCC(F)(F)CC2)cc1 ZINC000796541390 1129777430 /nfs/dbraw/zinc/77/74/30/1129777430.db2.gz SQPODPCCZLONRB-UHFFFAOYSA-N 0 1 299.361 3.585 20 0 CHADMN OCc1nc2ccc(-c3cccc(C4CCC4)c3)cc2[nH]1 ZINC000653509969 1129782942 /nfs/dbraw/zinc/78/29/42/1129782942.db2.gz FZQZAHIXFOGORH-UHFFFAOYSA-N 0 1 278.355 3.990 20 0 CHADMN CC(C)c1ccccc1C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000829806221 1129784636 /nfs/dbraw/zinc/78/46/36/1129784636.db2.gz IWKOQPICUVRDRM-UHFFFAOYSA-N 0 1 297.402 3.553 20 0 CHADMN CC(C)(CCN1CCO[C@@H](c2cccc(O)c2)C1)C1CC1 ZINC000653571100 1129786007 /nfs/dbraw/zinc/78/60/07/1129786007.db2.gz WDUCZRXCBFLCHE-QGZVFWFLSA-N 0 1 289.419 3.592 20 0 CHADMN Fc1ccc2c(c1)CCN(CCc1noc3ccccc31)C2 ZINC000653596341 1129787865 /nfs/dbraw/zinc/78/78/65/1129787865.db2.gz PKASFGGYFJUTKP-UHFFFAOYSA-N 0 1 296.345 3.568 20 0 CHADMN Oc1c(F)cccc1-c1ccc2ccc(F)cc2n1 ZINC001242349994 1129790835 /nfs/dbraw/zinc/79/08/35/1129790835.db2.gz BRKSRUCROQNPNL-UHFFFAOYSA-N 0 1 257.239 3.886 20 0 CHADMN CC(C)(C)Oc1ccnc(-c2cccc(F)c2O)c1 ZINC001242353255 1129793473 /nfs/dbraw/zinc/79/34/73/1129793473.db2.gz KYKNRSJRXMDMEY-UHFFFAOYSA-N 0 1 261.296 3.771 20 0 CHADMN CCC(CC)NC(=O)[C@@H](C)N[C@H](CC)c1ccccc1F ZINC000653792569 1129794995 /nfs/dbraw/zinc/79/49/95/1129794995.db2.gz LZMWOFUTBIDXAL-MLGOLLRUSA-N 0 1 294.414 3.560 20 0 CHADMN Cc1nc(C(C)C)sc1[C@@H](C)N(C)CCC(=O)C1CC1 ZINC000767480268 1129795387 /nfs/dbraw/zinc/79/53/87/1129795387.db2.gz SHNJUGGCKVETDM-GFCCVEGCSA-N 0 1 294.464 3.937 20 0 CHADMN CC(C)Cn1cccc(-c2cccc(Cl)c2O)c1=O ZINC001242367166 1129798065 /nfs/dbraw/zinc/79/80/65/1129798065.db2.gz HXVFKGDDRQMUTN-UHFFFAOYSA-N 0 1 277.751 3.530 20 0 CHADMN C[C@@H](NCc1ncc(C2CC2)o1)C1CCC(F)(F)CC1 ZINC000653871279 1129798899 /nfs/dbraw/zinc/79/88/99/1129798899.db2.gz CSXWUGZNPWJIQF-SNVBAGLBSA-N 0 1 284.350 3.856 20 0 CHADMN CC[C@@H](NCc1csc(C(C)(C)C)n1)[C@H]1CCCCO1 ZINC000653880394 1129799971 /nfs/dbraw/zinc/79/99/71/1129799971.db2.gz KEHAQVFPRSMOPC-ZIAGYGMSSA-N 0 1 296.480 3.878 20 0 CHADMN CC[C@H](NCc1csc(C(C)C)n1)[C@H]1CCCCO1 ZINC000653879924 1129800430 /nfs/dbraw/zinc/80/04/30/1129800430.db2.gz ZYCXXJHZBASVHH-UONOGXRCSA-N 0 1 282.453 3.704 20 0 CHADMN O=C1SCCN1CN1CCC[C@H]1CCC1CCCC1 ZINC000767753042 1129813933 /nfs/dbraw/zinc/81/39/33/1129813933.db2.gz HSHBDTUUUPNFHI-AWEZNQCLSA-N 0 1 282.453 3.548 20 0 CHADMN Cc1ccc(CCONC(=O)C(C)(C)c2ccccc2)cc1 ZINC000767934491 1129822030 /nfs/dbraw/zinc/82/20/30/1129822030.db2.gz VRVIAVHYLGYNLM-UHFFFAOYSA-N 0 1 297.398 3.563 20 0 CHADMN Cc1cc(CN2CCC(C(=O)c3ccccc3)CC2)c(C)o1 ZINC000768225550 1129843733 /nfs/dbraw/zinc/84/37/33/1129843733.db2.gz IDBQPNABAQXGPT-UHFFFAOYSA-N 0 1 297.398 3.991 20 0 CHADMN Cc1cc(CN(C)CCOc2ccccc2F)c(C)o1 ZINC000768213312 1129844332 /nfs/dbraw/zinc/84/43/32/1129844332.db2.gz QBVJWBQVYIBVPS-UHFFFAOYSA-N 0 1 277.339 3.546 20 0 CHADMN CCCCC[C@@H](NC(=O)NCc1cn[nH]c1C)C(C)(C)C ZINC000768225487 1129844782 /nfs/dbraw/zinc/84/47/82/1129844782.db2.gz GBQZYDMPVNENEG-CQSZACIVSA-N 0 1 294.443 3.512 20 0 CHADMN Cc1ccc(NC(=O)Nc2ncc(F)cc2O)cc1Cl ZINC001202800021 1129846733 /nfs/dbraw/zinc/84/67/33/1129846733.db2.gz FSMWHYHITYDVOP-UHFFFAOYSA-N 0 1 295.701 3.532 20 0 CHADMN CC(C)[C@H](C)N(C)Cc1occc1Br ZINC000768268862 1129848482 /nfs/dbraw/zinc/84/84/82/1129848482.db2.gz JIESXEGJANLKOI-VIFPVBQESA-N 0 1 260.175 3.518 20 0 CHADMN Cc1csc([C@@H](C)NC[C@]2(C)CC2(Cl)Cl)n1 ZINC000828816163 1131401879 /nfs/dbraw/zinc/40/18/79/1131401879.db2.gz LGXPRTCTEIGQHK-SCZZXKLOSA-N 0 1 279.236 3.686 20 0 CHADMN CCC(CC)CN(CC)Cc1coc(C2CC2)n1 ZINC000768506982 1129858636 /nfs/dbraw/zinc/85/86/36/1129858636.db2.gz JIPKXIIOPZCDDW-UHFFFAOYSA-N 0 1 250.386 3.810 20 0 CHADMN CC(C)COC[C@@H](NC1CC(C(F)F)C1)c1ccco1 ZINC000768685248 1129870613 /nfs/dbraw/zinc/87/06/13/1129870613.db2.gz AYPSCSMZVWQLAF-WXRRBKDZSA-N 0 1 287.350 3.627 20 0 CHADMN Cc1cc(C)c(NC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)c(C)c1 ZINC000900304709 1129876844 /nfs/dbraw/zinc/87/68/44/1129876844.db2.gz DSMNXRBEMGCAMY-ZBEGNZNMSA-N 0 1 297.402 3.640 20 0 CHADMN CC[C@]1(C)CCCN(Cc2cccc(Cl)n2)C1 ZINC000743860779 1129878545 /nfs/dbraw/zinc/87/85/45/1129878545.db2.gz ULAPZKUOFRZAOB-CQSZACIVSA-N 0 1 252.789 3.747 20 0 CHADMN COCC[C@@H]1CCC[C@H]1Nc1ccc(CN(C)C)c(F)c1 ZINC000800488771 1129879577 /nfs/dbraw/zinc/87/95/77/1129879577.db2.gz OOQJTJGDQUZSPW-SUMWQHHRSA-N 0 1 294.414 3.504 20 0 CHADMN Cc1cc(Cl)nc(CN[C@@H](c2cccnc2)C(C)C)c1 ZINC000800496327 1129880563 /nfs/dbraw/zinc/88/05/63/1129880563.db2.gz VIVZYEYJSJBFOG-MRXNPFEDSA-N 0 1 289.810 3.925 20 0 CHADMN CCCC[C@@H](C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000800510631 1129881136 /nfs/dbraw/zinc/88/11/36/1129881136.db2.gz SAFODKGSJCUNGL-GFCCVEGCSA-N 0 1 280.387 3.652 20 0 CHADMN COc1cccc(CN(C)CCc2ccccc2F)c1F ZINC000800510066 1129881791 /nfs/dbraw/zinc/88/17/91/1129881791.db2.gz YYDXSYXBIUDDIN-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN CC(=C(F)C(=O)Nc1cccc(-c2ncc[nH]2)c1)C1CC1 ZINC000900555753 1129886326 /nfs/dbraw/zinc/88/63/26/1129886326.db2.gz JZBWERMENSSGEX-UVTDQMKNSA-N 0 1 285.322 3.669 20 0 CHADMN Brc1ccoc1CN1CCC[C@H]2CCC[C@H]21 ZINC000769102521 1129890307 /nfs/dbraw/zinc/89/03/07/1129890307.db2.gz OKDDZUOYELILNP-ZYHUDNBSSA-N 0 1 284.197 3.807 20 0 CHADMN Clc1nc2ccccn2c1CN1CCC[C@H]2CCC[C@@H]21 ZINC000769101763 1129890496 /nfs/dbraw/zinc/89/04/96/1129890496.db2.gz GTUVOFAFTLPASQ-OLZOCXBDSA-N 0 1 289.810 3.752 20 0 CHADMN C[C@@H](c1ccncc1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000769227919 1129896463 /nfs/dbraw/zinc/89/64/63/1129896463.db2.gz KCSHGJYNRDBAHF-JSGCOSHPSA-N 0 1 288.341 3.910 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2cnc(Cl)c(C)c2)CC1 ZINC000769383682 1129905262 /nfs/dbraw/zinc/90/52/62/1129905262.db2.gz GTSDAYPIKRTETR-OAHLLOKOSA-N 0 1 296.842 3.825 20 0 CHADMN CCCCn1nc(C)c(CN(CC)CC2CC2)c1Cl ZINC000769403647 1129906579 /nfs/dbraw/zinc/90/65/79/1129906579.db2.gz FRKOKOJRFAAPPG-UHFFFAOYSA-N 0 1 283.847 3.877 20 0 CHADMN C[C@@H]1CCCCCN1Cc1occc1Br ZINC000769404074 1129906938 /nfs/dbraw/zinc/90/69/38/1129906938.db2.gz IVLYVMSZIXLVBZ-SNVBAGLBSA-N 0 1 272.186 3.807 20 0 CHADMN c1oc(C2CC2)nc1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000769426321 1129908001 /nfs/dbraw/zinc/90/80/01/1129908001.db2.gz FIVNZLPCXGGSQG-KRWDZBQOSA-N 0 1 272.392 3.874 20 0 CHADMN Cc1ccc(-c2nc(CNC3CC(C(F)F)C3)co2)cc1 ZINC000769528391 1129915415 /nfs/dbraw/zinc/91/54/15/1129915415.db2.gz WOHZZSBZBCYRRT-UHFFFAOYSA-N 0 1 292.329 3.783 20 0 CHADMN Fc1cccc(F)c1[C@@H]1CCN(Cc2ccoc2)C1 ZINC000769557864 1129918051 /nfs/dbraw/zinc/91/80/51/1129918051.db2.gz CHMBBLVSRRRKGR-GFCCVEGCSA-N 0 1 263.287 3.547 20 0 CHADMN CC[C@H](N)c1cc(-c2ccc(OC(C)C)c(OC)c2)no1 ZINC000901389029 1129919930 /nfs/dbraw/zinc/91/99/30/1129919930.db2.gz FRLBQKOIWOLQCB-LBPRGKRZSA-N 0 1 290.363 3.547 20 0 CHADMN CC[C@@H](N)c1cc(-c2ccccc2OC(C)C)no1 ZINC000901397828 1129920545 /nfs/dbraw/zinc/92/05/45/1129920545.db2.gz FUVKOMPVVDQLTC-GFCCVEGCSA-N 0 1 260.337 3.539 20 0 CHADMN Cc1cccc(C)c1-c1ccc(CCN2CCOCC2)cc1 ZINC001239597181 1131407531 /nfs/dbraw/zinc/40/75/31/1131407531.db2.gz DKCZVIRETVFFLC-UHFFFAOYSA-N 0 1 295.426 3.845 20 0 CHADMN Cc1ccc([C@H](O)CN(C)Cc2cc(C)ccc2F)cc1 ZINC000769909032 1129929241 /nfs/dbraw/zinc/92/92/41/1129929241.db2.gz NNTYIQZAFMKVRU-GOSISDBHSA-N 0 1 287.378 3.608 20 0 CHADMN FC(F)(F)[C@@H]1CCN(C/C=C\Cl)CC12CCC2 ZINC000801590765 1129930473 /nfs/dbraw/zinc/93/04/73/1129930473.db2.gz PWCKNSHZVJJNSP-LGIFSFGNSA-N 0 1 267.722 3.793 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1nc2ccc(C)cc2[nH]1 ZINC000769870010 1129930619 /nfs/dbraw/zinc/93/06/19/1129930619.db2.gz BAQROCOVJVMVAO-NSHDSACASA-N 0 1 298.390 3.581 20 0 CHADMN Cc1cccc2c1N(C(=O)c1c(O)cccc1Cl)CC2 ZINC000769947601 1129931226 /nfs/dbraw/zinc/93/12/26/1129931226.db2.gz HSFHKGLSTMONAX-UHFFFAOYSA-N 0 1 287.746 3.557 20 0 CHADMN CC(C)C1CCC(C[N@H+]2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC1 ZINC000901515278 1129933342 /nfs/dbraw/zinc/93/33/42/1129933342.db2.gz AHDOJLPOHUKTSN-OBQMCRIKSA-N 0 1 293.451 3.636 20 0 CHADMN C[C@]1(C(=O)[O-])CC[N@@H+](CC2CCC3(CCCCC3)CC2)C1 ZINC000901516775 1129933365 /nfs/dbraw/zinc/93/33/65/1129933365.db2.gz RBZARAGRNXQTLP-KRWDZBQOSA-N 0 1 293.451 3.924 20 0 CHADMN CC1=C[C@@H](C)C[C@@H](C[N@@H+](CC(=O)[O-])Cc2ccccc2)C1 ZINC000901568993 1129936950 /nfs/dbraw/zinc/93/69/50/1129936950.db2.gz HCIZEPMYIXUEBJ-RHSMWYFYSA-N 0 1 287.403 3.566 20 0 CHADMN CCc1nc([C@@H](C)S[C@H](COC)c2ccccc2)n[nH]1 ZINC000901665975 1129942352 /nfs/dbraw/zinc/94/23/52/1129942352.db2.gz AZTYWSCXYKBHKM-DGCLKSJQSA-N 0 1 291.420 3.549 20 0 CHADMN Cc1cc(CSCc2ccc3nc(C)[nH]c3c2)no1 ZINC000901714239 1129946321 /nfs/dbraw/zinc/94/63/21/1129946321.db2.gz LAVVTRGZFRKOLU-UHFFFAOYSA-N 0 1 273.361 3.601 20 0 CHADMN CCOc1ccc(NCc2ccc3nc[nH]c3c2)cc1F ZINC000770494912 1129949592 /nfs/dbraw/zinc/94/95/92/1129949592.db2.gz NVBFJLKQCLPTLO-UHFFFAOYSA-N 0 1 285.322 3.713 20 0 CHADMN C[C@H]1CCC[C@@H](C[N@H+]2CCc3cccc(C(=O)[O-])c3C2)C1 ZINC000901778060 1129951928 /nfs/dbraw/zinc/95/19/28/1129951928.db2.gz KWCLHKCSWMHQPE-UONOGXRCSA-N 0 1 287.403 3.569 20 0 CHADMN O=C([O-])CCC[N@H+](Cc1ccccc1)C[C@@H]1CC=CCC1 ZINC000901802536 1129954577 /nfs/dbraw/zinc/95/45/77/1129954577.db2.gz LPYUYAAYBPRPDW-QGZVFWFLSA-N 0 1 287.403 3.710 20 0 CHADMN CCCCCC[C@](C)(CC)C(=O)OCc1n[nH]c(C)n1 ZINC000770648062 1129954676 /nfs/dbraw/zinc/95/46/76/1129954676.db2.gz MIWSGVLCRJSCHX-HNNXBMFYSA-N 0 1 281.400 3.543 20 0 CHADMN CC(C)C[N@@H+](CC(C)(C)C(=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000901838746 1129958183 /nfs/dbraw/zinc/95/81/83/1129958183.db2.gz LKIOKTVMSHPANG-ZDUSSCGKSA-N 0 1 297.464 3.748 20 0 CHADMN CN(CCSC(C)(C)C)Cc1ccc(F)cc1F ZINC000801914836 1129958401 /nfs/dbraw/zinc/95/84/01/1129958401.db2.gz LCHOAPPULVAYFZ-UHFFFAOYSA-N 0 1 273.392 3.928 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1cnc(C(C)C)s1 ZINC000770746745 1129958622 /nfs/dbraw/zinc/95/86/22/1129958622.db2.gz OCLIYKCSUSRCGI-LBPRGKRZSA-N 0 1 275.421 3.821 20 0 CHADMN C[C@@H]1CO[C@H](c2ccccc2)CN1CCSC(C)(C)C ZINC000801917497 1129958637 /nfs/dbraw/zinc/95/86/37/1129958637.db2.gz FIGKKFQYGHTDKI-ZBFHGGJFSA-N 0 1 293.476 3.980 20 0 CHADMN O=C([O-])[C@]12C[N@@H+](CCCC3CCCCC3)C[C@H]1CCCC2 ZINC000901917630 1129966104 /nfs/dbraw/zinc/96/61/04/1129966104.db2.gz LKQYOIUHJYJYJJ-SJLPKXTDSA-N 0 1 293.451 3.924 20 0 CHADMN CC[C@@H]1CCC[C@@H](C[N@H+]2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)C1 ZINC000901917863 1129966157 /nfs/dbraw/zinc/96/61/57/1129966157.db2.gz MQANPSKXBABUES-CBZIJGRNSA-N 0 1 293.451 3.780 20 0 CHADMN Cc1cn[nH]c1CNc1ccc2ccnc(Cl)c2c1 ZINC001461591318 1129966184 /nfs/dbraw/zinc/96/61/84/1129966184.db2.gz GJRFYZVNDFTBMT-UHFFFAOYSA-N 0 1 272.739 3.532 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cccc(CC2CCC2)c1 ZINC000901984897 1129969959 /nfs/dbraw/zinc/96/99/59/1129969959.db2.gz MFPXZPUIQUMLJK-AWEZNQCLSA-N 0 1 289.419 3.714 20 0 CHADMN CC(C)C[C@H](C[N@H+]1CCC[C@H]1CC(=O)[O-])c1ccccc1 ZINC000902006820 1129971392 /nfs/dbraw/zinc/97/13/92/1129971392.db2.gz HIMHSICSRARLAO-SJORKVTESA-N 0 1 289.419 3.755 20 0 CHADMN C[C@@H](C[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000902018450 1129971690 /nfs/dbraw/zinc/97/16/90/1129971690.db2.gz USGVRMSQYXFLGG-TYNCELHUSA-N 0 1 295.810 3.629 20 0 CHADMN CC(C)c1ccc(CC[N@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1 ZINC000902018028 1129971948 /nfs/dbraw/zinc/97/19/48/1129971948.db2.gz SDEKAHZPCINGOB-PBHICJAKSA-N 0 1 289.419 3.538 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000902020786 1129972034 /nfs/dbraw/zinc/97/20/34/1129972034.db2.gz SGNKHAAWGSWMOB-ZDUSSCGKSA-N 0 1 297.464 3.977 20 0 CHADMN C[C@@H](CCc1ccccc1)C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000902039122 1129973410 /nfs/dbraw/zinc/97/34/10/1129973410.db2.gz ZCUDNJFUYCWLDQ-HNNXBMFYSA-N 0 1 289.419 3.585 20 0 CHADMN CCNc1ccccc1CNCc1ccc(OC)c(F)c1 ZINC000902052449 1129975246 /nfs/dbraw/zinc/97/52/46/1129975246.db2.gz HZJBWCNTUAJVCS-UHFFFAOYSA-N 0 1 288.366 3.556 20 0 CHADMN C[C@@H]1CCN(Cc2cccnc2Cl)CC12CCC2 ZINC000771462604 1129980753 /nfs/dbraw/zinc/98/07/53/1129980753.db2.gz JLZXTWRQIDEFPH-GFCCVEGCSA-N 0 1 264.800 3.747 20 0 CHADMN CNc1ccccc1CN[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000902127927 1129982593 /nfs/dbraw/zinc/98/25/93/1129982593.db2.gz ZPUQWQSTYBPDBL-MOPGFXCFSA-N 0 1 296.414 3.738 20 0 CHADMN CCOc1ccccc1CSCc1[nH]ncc1C ZINC000902281898 1129996047 /nfs/dbraw/zinc/99/60/47/1129996047.db2.gz RZXTVSVZQKXARN-UHFFFAOYSA-N 0 1 262.378 3.550 20 0 CHADMN CC(C)(CC[N@H+](Cc1ccc(F)cc1)CC1CC1)C(=O)[O-] ZINC000902282529 1129996622 /nfs/dbraw/zinc/99/66/22/1129996622.db2.gz ZACXBVJDTICFNS-UHFFFAOYSA-N 0 1 293.382 3.539 20 0 CHADMN COCc1cccc(CNCc2cscc2Cl)c1 ZINC000771942722 1129997710 /nfs/dbraw/zinc/99/77/10/1129997710.db2.gz DKJFOPYKTULEEF-UHFFFAOYSA-N 0 1 281.808 3.838 20 0 CHADMN CNc1ccc(C)cc1CNC1(c2cccc(OC)c2)CC1 ZINC000902312674 1129999189 /nfs/dbraw/zinc/99/91/89/1129999189.db2.gz LSQWEWDZJPUZJV-UHFFFAOYSA-N 0 1 296.414 3.824 20 0 CHADMN Cc1ccc(C(C)(C)C[N@@H+](C)CCC(C)(C)C(=O)[O-])cc1 ZINC000902320841 1129999851 /nfs/dbraw/zinc/99/98/51/1129999851.db2.gz FVGNTROJNHLPOQ-UHFFFAOYSA-N 0 1 291.435 3.705 20 0 CHADMN Cc1cn[nH]c1CS[C@H](C)c1nc2ccccc2o1 ZINC000902355398 1130003010 /nfs/dbraw/zinc/00/30/10/1130003010.db2.gz SMHVHBKIBUOSDP-SNVBAGLBSA-N 0 1 273.361 3.854 20 0 CHADMN COc1ccc2c(c1)nccc2-c1cc2nc[nH]c2cc1F ZINC001239684914 1130054802 /nfs/dbraw/zinc/05/48/02/1130054802.db2.gz ZMQFRRQGSKBRCX-UHFFFAOYSA-N 0 1 293.301 3.926 20 0 CHADMN Cc1ccc([C@H]2CC[N@@H+](Cc3ccoc3C(=O)[O-])C2)c(C)c1 ZINC000902451441 1130012701 /nfs/dbraw/zinc/01/27/01/1130012701.db2.gz SGPDMULMJAHPHY-AWEZNQCLSA-N 0 1 299.370 3.584 20 0 CHADMN Nc1nc(CN[C@@H](c2cccs2)C2CCCC2)cs1 ZINC000902492403 1130017361 /nfs/dbraw/zinc/01/73/61/1130017361.db2.gz YUMVLOHMHIBVLS-CYBMUJFWSA-N 0 1 293.461 3.808 20 0 CHADMN COc1ccc(-c2cccc3nc(C)[nH]c32)c(OC)c1 ZINC001239621890 1130017702 /nfs/dbraw/zinc/01/77/02/1130017702.db2.gz KZMPCXQWLKVGMR-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000902520825 1130019637 /nfs/dbraw/zinc/01/96/37/1130019637.db2.gz KJKMZYOWHHQHBK-LBPRGKRZSA-N 0 1 297.826 3.704 20 0 CHADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000902530460 1130021127 /nfs/dbraw/zinc/02/11/27/1130021127.db2.gz RWDSNEMLQUARBD-CHWSQXEVSA-N 0 1 299.370 3.875 20 0 CHADMN C[C@H]1CCCCC[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902533004 1130021243 /nfs/dbraw/zinc/02/12/43/1130021243.db2.gz SOQMJSMFKVXLFQ-ZDUSSCGKSA-N 0 1 298.386 3.698 20 0 CHADMN CC(=O)c1cccc(-c2ccc(CN3CCCCC3)cn2)c1 ZINC001239637815 1130029254 /nfs/dbraw/zinc/02/92/54/1130029254.db2.gz BPTDCDIUGUZECY-UHFFFAOYSA-N 0 1 294.398 3.937 20 0 CHADMN COc1cc(-c2cccc3nc(C)[nH]c32)cc(OC)c1OC ZINC001239643048 1130031359 /nfs/dbraw/zinc/03/13/59/1130031359.db2.gz PARYKEHGTMRPFS-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN CCNc1ccccc1C[NH2+]Cc1ccc([O-])c(Cl)c1 ZINC000902640795 1130033348 /nfs/dbraw/zinc/03/33/48/1130033348.db2.gz LVQSGGQNQGRRRF-UHFFFAOYSA-N 0 1 290.794 3.767 20 0 CHADMN Fc1cc(F)cc(-c2cc(N3CCCC3)ccn2)c1 ZINC001239654786 1130033976 /nfs/dbraw/zinc/03/39/76/1130033976.db2.gz XAZSBMHZEPINOO-UHFFFAOYSA-N 0 1 260.287 3.627 20 0 CHADMN COc1cccc(OC)c1-c1ccc(F)c(CN(C)C)c1 ZINC001239674391 1130046474 /nfs/dbraw/zinc/04/64/74/1130046474.db2.gz JRBNOYNNLFTYFQ-UHFFFAOYSA-N 0 1 289.350 3.572 20 0 CHADMN C[C@H](N[C@H](CC(C)(C)C)c1ccccc1)c1cn(C)nn1 ZINC000902746554 1130050168 /nfs/dbraw/zinc/05/01/68/1130050168.db2.gz JZRCFSSHIIWTEV-DZGCQCFKSA-N 0 1 286.423 3.643 20 0 CHADMN CCCn1cc([C@H](C)N[C@H](c2ccccc2)C2CCC2)nn1 ZINC000902791070 1130059615 /nfs/dbraw/zinc/05/96/15/1130059615.db2.gz SWABJMDPLYHPEG-KBXCAEBGSA-N 0 1 298.434 3.880 20 0 CHADMN Cc1cccc([C@H](N[C@H](C)c2cn(C)nn2)C(C)(C)C)c1 ZINC000902832928 1130066737 /nfs/dbraw/zinc/06/67/37/1130066737.db2.gz SATIGCQQNRGXKV-CJNGLKHVSA-N 0 1 286.423 3.562 20 0 CHADMN Cc1cccc(-c2nc(C(C)(C)C)nc3nc[nH]c32)c1C ZINC001239714277 1130067957 /nfs/dbraw/zinc/06/79/57/1130067957.db2.gz DUAFFZNNIJEKSF-UHFFFAOYSA-N 0 1 280.375 3.886 20 0 CHADMN COc1ccc(F)cc1-c1ccc2nc(C)[nH]c2c1 ZINC001239720838 1130073745 /nfs/dbraw/zinc/07/37/45/1130073745.db2.gz TWARASLELRAYKV-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN COc1ccc(F)cc1-c1cc(F)c2c(c1)CN(C)CC2 ZINC001239724257 1130075764 /nfs/dbraw/zinc/07/57/64/1130075764.db2.gz NPWPAZWHTVQIKS-UHFFFAOYSA-N 0 1 289.325 3.628 20 0 CHADMN CCOC(=O)c1cc2ccc(-c3ccccc3CC)[nH]c-2n1 ZINC001239743695 1130084621 /nfs/dbraw/zinc/08/46/21/1130084621.db2.gz XLVSOTTXNZTBBS-UHFFFAOYSA-N 0 1 294.354 3.969 20 0 CHADMN COc1cccc(-c2ccc(F)c(CN(C)C)c2)c1F ZINC001239751286 1130091787 /nfs/dbraw/zinc/09/17/87/1130091787.db2.gz HGQRDIWNEMQNJA-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN COC(=O)c1ccc([C@H](C)NCc2occc2C)c(C)c1 ZINC000902999376 1130097591 /nfs/dbraw/zinc/09/75/91/1130097591.db2.gz NWKKBEZNGFVERN-ZDUSSCGKSA-N 0 1 287.359 3.534 20 0 CHADMN COc1ccc(C)cc1-c1nc(C)cc2[nH]ccc21 ZINC001239765787 1130098233 /nfs/dbraw/zinc/09/82/33/1130098233.db2.gz HWLPYVIJJACTOW-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN COc1ccc(C)cc1-c1ccc2nc[nH]c2c1C ZINC001239768799 1130100197 /nfs/dbraw/zinc/10/01/97/1130100197.db2.gz XPRLZQHBIKYVDX-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN COc1ccc(CN2CC3CCC2CC3)c(Cl)c1OC ZINC001139118302 1130104247 /nfs/dbraw/zinc/10/42/47/1130104247.db2.gz UGKCBWSVZKZVOY-UHFFFAOYSA-N 0 1 295.810 3.732 20 0 CHADMN Fc1ccccc1[C@@H](NCc1ccco1)C1CCOCC1 ZINC000903055251 1130105537 /nfs/dbraw/zinc/10/55/37/1130105537.db2.gz AKMFJDXCLJJRMG-KRWDZBQOSA-N 0 1 289.350 3.676 20 0 CHADMN CC(=O)OCc1cccc([C@@H](C)N[C@H](C)c2ccccn2)c1 ZINC000903056395 1130107161 /nfs/dbraw/zinc/10/71/61/1130107161.db2.gz UDQNKOQJEGRXKE-ZIAGYGMSSA-N 0 1 298.386 3.557 20 0 CHADMN CC[C@H](N[C@H](c1nncn1C)C(C)C)c1cccc(C)c1 ZINC000903065660 1130108077 /nfs/dbraw/zinc/10/80/77/1130108077.db2.gz RVIUMHQCULPOMF-HOTGVXAUSA-N 0 1 286.423 3.562 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cnc2ccccc2c1 ZINC001239793698 1130109948 /nfs/dbraw/zinc/10/99/48/1130109948.db2.gz OUNSCTJNMNHKAU-UHFFFAOYSA-N 0 1 275.311 3.787 20 0 CHADMN Cc1cccc2c1[C@@H](N[C@@H](C)CCCC(C)C)C(=O)N2 ZINC001170061338 1130110271 /nfs/dbraw/zinc/11/02/71/1130110271.db2.gz LUMQTKHPBBSFRA-XJKSGUPXSA-N 0 1 274.408 3.793 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnn(CC2CCC2)c1)c1cccc(O)c1 ZINC000903091209 1130110701 /nfs/dbraw/zinc/11/07/01/1130110701.db2.gz PITNPXWPXQZFTL-KGLIPLIRSA-N 0 1 299.418 3.801 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnn(CC2CCC2)c1)c1ccncc1 ZINC000903100445 1130112276 /nfs/dbraw/zinc/11/22/76/1130112276.db2.gz SMHBIESFNINRJB-KBXCAEBGSA-N 0 1 298.434 3.880 20 0 CHADMN Cc1ccc(-c2ccc(CCN3CCOCC3)cc2)c(C)c1 ZINC001239810723 1130118636 /nfs/dbraw/zinc/11/86/36/1130118636.db2.gz OOSKENXQPPKQPD-UHFFFAOYSA-N 0 1 295.426 3.845 20 0 CHADMN C[C@H](OC(=O)[C@@H]1CCCN1C1CCCC1)c1ccccc1 ZINC000786882302 1130121310 /nfs/dbraw/zinc/12/13/10/1130121310.db2.gz NTQBVVRGJSBJBF-YOEHRIQHSA-N 0 1 287.403 3.698 20 0 CHADMN CCOC(=O)c1cc2[nH]c(-c3ccc(C)c(F)c3)ccc-2n1 ZINC001239817844 1130121766 /nfs/dbraw/zinc/12/17/66/1130121766.db2.gz MAIUCZPYTFSISN-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN Cc1ccc(-c2nc(C(C)(C)C)nc3nc[nH]c32)cc1F ZINC001239818705 1130123059 /nfs/dbraw/zinc/12/30/59/1130123059.db2.gz HWJVFIPMUTZCIP-UHFFFAOYSA-N 0 1 284.338 3.717 20 0 CHADMN C[C@H](NCCOC1CC1)c1nc(-c2ccccc2)cs1 ZINC000903170477 1130124158 /nfs/dbraw/zinc/12/41/58/1130124158.db2.gz ILBHFKQJXPYDMD-LBPRGKRZSA-N 0 1 288.416 3.640 20 0 CHADMN CC[C@@H](NCc1nccc2c1CCCC2)c1ccncc1 ZINC000903183099 1130125785 /nfs/dbraw/zinc/12/57/85/1130125785.db2.gz ZZPMACWBJIONLZ-QGZVFWFLSA-N 0 1 281.403 3.596 20 0 CHADMN Cc1nn(C)c(C)c1CN(C)Cc1c(C)cc(C)cc1C ZINC000749905325 1130126621 /nfs/dbraw/zinc/12/66/21/1130126621.db2.gz BFXSXHLTNIKMBL-UHFFFAOYSA-N 0 1 285.435 3.594 20 0 CHADMN COc1ccc(-c2nc[nH]c3nc(=S)sc2-3)c(C)c1 ZINC001239826684 1130127609 /nfs/dbraw/zinc/12/76/09/1130127609.db2.gz ZMUJMGRDHIZZBB-UHFFFAOYSA-N 0 1 289.385 3.685 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(F)cn2)cc1C ZINC000903233205 1130133160 /nfs/dbraw/zinc/13/31/60/1130133160.db2.gz DBVHMQAXUZLXBZ-OLZOCXBDSA-N 0 1 288.366 3.950 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc2c(c1)CCO2)c1ccoc1 ZINC000903238584 1130134293 /nfs/dbraw/zinc/13/42/93/1130134293.db2.gz PUSXHZTVTZQVLR-VXGBXAGGSA-N 0 1 257.333 3.626 20 0 CHADMN CCC[C@@H](NCc1cnn(CC2CCC2)c1)c1cccnc1 ZINC000903240849 1130135085 /nfs/dbraw/zinc/13/50/85/1130135085.db2.gz YUMWVMNGWSAKET-GOSISDBHSA-N 0 1 298.434 3.709 20 0 CHADMN CC(C)Cc1ccc(CN2CCSC(C)(C)C2)cn1 ZINC001461959335 1130136011 /nfs/dbraw/zinc/13/60/11/1130136011.db2.gz MXRLJPLDYRKOBE-UHFFFAOYSA-N 0 1 278.465 3.608 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1ccc(F)cn1 ZINC000787250157 1130140916 /nfs/dbraw/zinc/14/09/16/1130140916.db2.gz QKDOQIICLXJXSX-QGZVFWFLSA-N 0 1 270.351 3.730 20 0 CHADMN CCn1ccc(CN(C)Cc2cc(Cl)cs2)c1 ZINC000787285785 1130142712 /nfs/dbraw/zinc/14/27/12/1130142712.db2.gz CJHYXRIYPFZKOS-UHFFFAOYSA-N 0 1 268.813 3.855 20 0 CHADMN Cc1nc(F)ccc1CN1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000787271565 1130143650 /nfs/dbraw/zinc/14/36/50/1130143650.db2.gz MLYGIEZCYAGTON-LRDDRELGSA-N 0 1 285.366 3.507 20 0 CHADMN CCC1(CC)CN(Cc2ccc(F)nc2C)CCS1 ZINC000787275236 1130145211 /nfs/dbraw/zinc/14/52/11/1130145211.db2.gz OGPWPIKOXSLXNZ-UHFFFAOYSA-N 0 1 282.428 3.637 20 0 CHADMN CC(C)CCC[C@H](C)NCC(=O)c1cc(F)ccc1F ZINC001170071824 1130146796 /nfs/dbraw/zinc/14/67/96/1130146796.db2.gz WBBAPEQZMIVNQB-LBPRGKRZSA-N 0 1 283.362 3.952 20 0 CHADMN C[C@H](N[C@@H](C)c1cncs1)c1cnn(-c2ccccc2)c1 ZINC000903311528 1130151949 /nfs/dbraw/zinc/15/19/49/1130151949.db2.gz PMLPHXUJKIWCDX-STQMWFEESA-N 0 1 298.415 3.741 20 0 CHADMN Fc1ccc(C2CC(N[C@H](c3ncccn3)C3CC3)C2)cc1 ZINC000903323155 1130154307 /nfs/dbraw/zinc/15/43/07/1130154307.db2.gz AVOQEGRVVRWKJH-PREGVCBESA-N 0 1 297.377 3.603 20 0 CHADMN C[C@H]1c2ccc(Cl)n2CCN1CCc1ccccc1 ZINC000787655800 1130157725 /nfs/dbraw/zinc/15/77/25/1130157725.db2.gz WNMLEDPPSPIYMW-ZDUSSCGKSA-N 0 1 274.795 3.761 20 0 CHADMN CCN1CCCC[C@@H]1C(=O)Nc1ccc(C2CCC2)cc1 ZINC000787692062 1130158918 /nfs/dbraw/zinc/15/89/18/1130158918.db2.gz UPZJOCCDTHDYQN-QGZVFWFLSA-N 0 1 286.419 3.767 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](c2ccccn2)C2CC2)c(C)n1 ZINC000903334583 1130159744 /nfs/dbraw/zinc/15/97/44/1130159744.db2.gz CTGHKDUXYYFBCI-KBXCAEBGSA-N 0 1 281.403 3.895 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@H](c1ccccn1)C1CC1)CCC2 ZINC000903338737 1130161403 /nfs/dbraw/zinc/16/14/03/1130161403.db2.gz IXWLSEZUKDMQDL-HOTGVXAUSA-N 0 1 299.443 3.965 20 0 CHADMN CC(C)CCC[C@@H](C)N1CCC(F)(F)[C@@H](F)C1 ZINC001170078037 1130165021 /nfs/dbraw/zinc/16/50/21/1130165021.db2.gz OQLIEPLOTRSKKL-NEPJUHHUSA-N 0 1 251.336 3.880 20 0 CHADMN CC(C)CCC[C@H](C)N1CCC(F)(F)[C@H](F)C1 ZINC001170078038 1130165212 /nfs/dbraw/zinc/16/52/12/1130165212.db2.gz OQLIEPLOTRSKKL-NWDGAFQWSA-N 0 1 251.336 3.880 20 0 CHADMN FC(F)(F)COc1ccc(-c2cccc3nc[nH]c32)cn1 ZINC001239948680 1130166356 /nfs/dbraw/zinc/16/63/56/1130166356.db2.gz XRZJPHTUWUKBNE-UHFFFAOYSA-N 0 1 293.248 3.566 20 0 CHADMN CCc1ccc2ccccc2c1C[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000903402864 1130170244 /nfs/dbraw/zinc/17/02/44/1130170244.db2.gz ZZYBMHUNXUHBFG-GOSISDBHSA-N 0 1 297.398 3.841 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903407331 1130171135 /nfs/dbraw/zinc/17/11/35/1130171135.db2.gz GHMFMGPOMFILMY-RHSMWYFYSA-N 0 1 289.419 3.570 20 0 CHADMN CC[N@@H+](Cc1cc(Cl)cc2ccccc21)[C@@H](C)C(=O)[O-] ZINC000903408761 1130171879 /nfs/dbraw/zinc/17/18/79/1130171879.db2.gz LJSOJUQMOBLDFG-NSHDSACASA-N 0 1 291.778 3.788 20 0 CHADMN CCC[C@H](NCc1c(C)nc2ccccn21)c1ccccn1 ZINC000903422543 1130174189 /nfs/dbraw/zinc/17/41/89/1130174189.db2.gz OQYSVLKAKMLHNJ-HNNXBMFYSA-N 0 1 294.402 3.669 20 0 CHADMN C[C@H](NC/C=C/Cl)c1cnc2ccsc2c1 ZINC000903443259 1130177462 /nfs/dbraw/zinc/17/74/62/1130177462.db2.gz DZHNEDLUIMNBSN-LXOKAJLYSA-N 0 1 252.770 3.699 20 0 CHADMN CC(C)[C@@H](C(=O)OCc1csc2ccccc12)N(C)C ZINC000803492084 1130179723 /nfs/dbraw/zinc/17/97/23/1130179723.db2.gz BODWJPGKNUUWGC-HNNXBMFYSA-N 0 1 291.416 3.531 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+]1CCCC2(CCCCC2)C1 ZINC000903598658 1130183705 /nfs/dbraw/zinc/18/37/05/1130183705.db2.gz WYKDIGABWOIFEU-KGLIPLIRSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)(C)NC(=O)c1ccc(-c2ccc3nc[nH]c3c2)cc1 ZINC001239991355 1130183883 /nfs/dbraw/zinc/18/38/83/1130183883.db2.gz XZKGYEQQLPHUHX-UHFFFAOYSA-N 0 1 293.370 3.758 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000903591860 1130183933 /nfs/dbraw/zinc/18/39/33/1130183933.db2.gz UPSDYFPTNKAEKG-CZUORRHYSA-N 0 1 291.435 3.915 20 0 CHADMN C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000903627015 1130184257 /nfs/dbraw/zinc/18/42/57/1130184257.db2.gz AIKJCMCBFIMSFF-BIMQEMHKSA-N 0 1 295.382 3.553 20 0 CHADMN C[C@]1(c2ccccc2)CCC[N@H+]1CCCCCC(=O)[O-] ZINC000903622884 1130184631 /nfs/dbraw/zinc/18/46/31/1130184631.db2.gz QHCFJXBHXLKREY-QGZVFWFLSA-N 0 1 275.392 3.643 20 0 CHADMN C/C(=C/C[N@H+]1CC[C@@H](c2ccc(C)cc2)C1(C)C)C(=O)[O-] ZINC000903611982 1130184687 /nfs/dbraw/zinc/18/46/87/1130184687.db2.gz PVVNDRPZUBXEMM-MBSJSRAVSA-N 0 1 287.403 3.594 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000903601022 1130185126 /nfs/dbraw/zinc/18/51/26/1130185126.db2.gz IXFXBKNLMWYELQ-GOSISDBHSA-N 0 1 289.419 3.572 20 0 CHADMN CC(C)C[N@@H+](Cc1ccc(CF)cc1)CC(C)(C)C(=O)[O-] ZINC000903621554 1130185141 /nfs/dbraw/zinc/18/51/41/1130185141.db2.gz AAZZTBGRJHKCIV-UHFFFAOYSA-N 0 1 295.398 3.725 20 0 CHADMN C[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1ccc2ccccc2c1 ZINC000903693427 1130190092 /nfs/dbraw/zinc/19/00/92/1130190092.db2.gz LCDYXHYLSZNYPP-UHFFFAOYSA-N 0 1 297.398 3.917 20 0 CHADMN CCCCC[N@@H+](CCC1(C(=O)[O-])CCC1)C(C)C ZINC000903696544 1130190468 /nfs/dbraw/zinc/19/04/68/1130190468.db2.gz JBMMFYKCRMXFRO-UHFFFAOYSA-N 0 1 255.402 3.532 20 0 CHADMN O=C([O-])C1(CC[N@@H+](CC2CCCCC2)C2CC2)CCC1 ZINC000903697110 1130190635 /nfs/dbraw/zinc/19/06/35/1130190635.db2.gz QXRCGPCWKPNKHD-UHFFFAOYSA-N 0 1 279.424 3.676 20 0 CHADMN CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC000903703032 1130191542 /nfs/dbraw/zinc/19/15/42/1130191542.db2.gz OXHALTFYAXIEOB-LSDHHAIUSA-N 0 1 293.451 3.780 20 0 CHADMN CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC000903703029 1130191547 /nfs/dbraw/zinc/19/15/47/1130191547.db2.gz OXHALTFYAXIEOB-CABCVRRESA-N 0 1 293.451 3.780 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@@H](C3CCCCC3)C2)CCC1 ZINC000903706612 1130192264 /nfs/dbraw/zinc/19/22/64/1130192264.db2.gz LCGYCFIWMYWZGH-MRXNPFEDSA-N 0 1 293.451 3.924 20 0 CHADMN C[C@@H](NCc1ccon1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788585774 1130195603 /nfs/dbraw/zinc/19/56/03/1130195603.db2.gz XADZVEIUSAERAE-DVVUODLYSA-N 0 1 282.796 3.671 20 0 CHADMN COc1ccc(-c2ccc(CN(C)C)c(F)c2)c(F)c1 ZINC001240025278 1130197046 /nfs/dbraw/zinc/19/70/46/1130197046.db2.gz ZTAFKLPYOXBZOO-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903894294 1130208247 /nfs/dbraw/zinc/20/82/47/1130208247.db2.gz SKNCUHFAHLETNU-JSGCOSHPSA-N 0 1 298.386 3.553 20 0 CHADMN CCC[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903888138 1130208364 /nfs/dbraw/zinc/20/83/64/1130208364.db2.gz RKCIGILEXSOSDT-GFCCVEGCSA-N 0 1 286.375 3.553 20 0 CHADMN CC(C)C[N@@H+](Cc1ccc(C(=O)[O-])c2cccnc12)C1CC1 ZINC000903887617 1130209242 /nfs/dbraw/zinc/20/92/42/1130209242.db2.gz XWOYXWOMICKXQI-UHFFFAOYSA-N 0 1 298.386 3.553 20 0 CHADMN CCOC[C@H](N[C@@H]1COCc2cccc(Cl)c21)C(C)C ZINC000788776220 1130210358 /nfs/dbraw/zinc/21/03/58/1130210358.db2.gz KZOZZYKGCOUDSZ-LSDHHAIUSA-N 0 1 297.826 3.562 20 0 CHADMN CCCCNC(=O)c1cccc(-c2ccc3nc[nH]c3c2)c1 ZINC001240087582 1130210848 /nfs/dbraw/zinc/21/08/48/1130210848.db2.gz PRSBBPQXZUMYSL-UHFFFAOYSA-N 0 1 293.370 3.760 20 0 CHADMN CC1CCC(C[N@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]2C)CC1 ZINC000903953278 1130213012 /nfs/dbraw/zinc/21/30/12/1130213012.db2.gz QFCQUWOWBLWBAG-HSYIEEJISA-N 0 1 281.440 3.632 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CC2CCC3(CC3)CC2)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903952965 1130213019 /nfs/dbraw/zinc/21/30/19/1130213019.db2.gz YLAUGVGZDVQQTK-HOSILWTGSA-N 0 1 293.451 3.776 20 0 CHADMN CC(C)CCC[C@H](C)N1CCc2cnc(C3CC3)nc2C1 ZINC001170092183 1130217134 /nfs/dbraw/zinc/21/71/34/1130217134.db2.gz ZJKQYFWMSYWWNV-AWEZNQCLSA-N 0 1 287.451 3.927 20 0 CHADMN C[C@@H]1CCC[C@H](C)[C@H]1N[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC001170095939 1130225502 /nfs/dbraw/zinc/22/55/02/1130225502.db2.gz SGGLOSBAZIVTRD-MXYBEHONSA-N 0 1 281.440 3.521 20 0 CHADMN CCCCN(CCC(C)=O)Cc1ccccc1Cl ZINC000772730873 1130230363 /nfs/dbraw/zinc/23/03/63/1130230363.db2.gz TYFCGWZFCJHDDR-UHFFFAOYSA-N 0 1 267.800 3.921 20 0 CHADMN c1cc2[nH]nnc2c(-c2cccc(N3CCCCC3)c2)c1 ZINC001240252522 1130249173 /nfs/dbraw/zinc/24/91/73/1130249173.db2.gz ZHDGMLRIFHGLTJ-UHFFFAOYSA-N 0 1 278.359 3.615 20 0 CHADMN O[C@H](CN1CC[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000748824904 1130249627 /nfs/dbraw/zinc/24/96/27/1130249627.db2.gz POHDNLZXIRKPLQ-IAGOWNOFSA-N 0 1 287.790 3.820 20 0 CHADMN COc1cc(-c2ccc3nc(C(F)(F)F)[nH]c3c2)ccn1 ZINC001240257191 1130250453 /nfs/dbraw/zinc/25/04/53/1130250453.db2.gz MKIBHXBPDZCQMN-UHFFFAOYSA-N 0 1 293.248 3.652 20 0 CHADMN Cc1ccc([C@H](O)CN2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000748834884 1130250443 /nfs/dbraw/zinc/25/04/43/1130250443.db2.gz XPCMFCLCBKYWPI-QZTJIDSGSA-N 0 1 285.362 3.615 20 0 CHADMN CC1(C)CN(C[C@H](O)c2cccc(F)c2)[C@H]1c1ccccc1 ZINC000748832352 1130251479 /nfs/dbraw/zinc/25/14/79/1130251479.db2.gz GQFPHBAXXZGYCK-ROUUACIJSA-N 0 1 299.389 3.942 20 0 CHADMN C[C@@H]1c2ccccc2OCCN1C[C@@H]1CC1(Cl)Cl ZINC000749060157 1130262127 /nfs/dbraw/zinc/26/21/27/1130262127.db2.gz IWMQYJKZJRQUBU-MNOVXSKESA-N 0 1 286.202 3.636 20 0 CHADMN Cc1cc(-c2cc(Cl)c(O)cc2F)cnc1C ZINC000379757480 1130265396 /nfs/dbraw/zinc/26/53/96/1130265396.db2.gz YWRLFILUKBGGHE-UHFFFAOYSA-N 0 1 251.688 3.864 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1ccnc(C(F)(F)F)c1 ZINC001240338849 1130269225 /nfs/dbraw/zinc/26/92/25/1130269225.db2.gz GFUGABAFJJWEBB-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN O=C(c1ccc(F)cc1O)N1CCC(C2CCCC2)CC1 ZINC000676761336 1130270472 /nfs/dbraw/zinc/27/04/72/1130270472.db2.gz IDFXHJCTISLFMS-UHFFFAOYSA-N 0 1 291.366 3.574 20 0 CHADMN Cc1ccc(CCN[C@@H](C)c2nc(C)sc2C)o1 ZINC000676838249 1130273322 /nfs/dbraw/zinc/27/33/22/1130273322.db2.gz ANHJKVQJSXBOKK-JTQLQIEISA-N 0 1 264.394 3.555 20 0 CHADMN C[C@H]1CN(Cc2cccc3c2OCCO3)Cc2ccccc21 ZINC000746852166 1130276767 /nfs/dbraw/zinc/27/67/67/1130276767.db2.gz ZTSAEXKOEGAATL-AWEZNQCLSA-N 0 1 295.382 3.577 20 0 CHADMN CC(C)n1cnc2cc(-c3nccc4[nH]cnc43)ccc21 ZINC001240366108 1130279679 /nfs/dbraw/zinc/27/96/79/1130279679.db2.gz QBEPGVANDFYFDQ-UHFFFAOYSA-N 0 1 277.331 3.556 20 0 CHADMN CC(C)n1cnc2cc(-c3[nH]ccc4ncnc3-4)ccc21 ZINC001240366108 1130279681 /nfs/dbraw/zinc/27/96/81/1130279681.db2.gz QBEPGVANDFYFDQ-UHFFFAOYSA-N 0 1 277.331 3.556 20 0 CHADMN COc1ccc(C2=CCCN(Cc3ccccc3)C2)c(F)n1 ZINC001240390396 1130288418 /nfs/dbraw/zinc/28/84/18/1130288418.db2.gz LEJBXGMCOHWUSL-UHFFFAOYSA-N 0 1 298.361 3.519 20 0 CHADMN CN(C)Cc1ccc(NC(=O)[C@@]2(C)CC=CCC2)cc1F ZINC000826848599 1130290109 /nfs/dbraw/zinc/29/01/09/1130290109.db2.gz XEQDOJNJMHQKBF-KRWDZBQOSA-N 0 1 290.382 3.572 20 0 CHADMN CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000826848157 1130290128 /nfs/dbraw/zinc/29/01/28/1130290128.db2.gz NFUMNJBZXHOJCW-IUODEOHRSA-N 0 1 292.398 3.652 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1ccc(C(F)(F)F)cc1F ZINC001240397342 1130291285 /nfs/dbraw/zinc/29/12/85/1130291285.db2.gz APPCJNKBHKCMAF-UHFFFAOYSA-N 0 1 299.202 3.922 20 0 CHADMN Cc1occc1CN[C@@H]1CCc2c1cc(F)cc2F ZINC000677129113 1130291916 /nfs/dbraw/zinc/29/19/16/1130291916.db2.gz FORNSJBLVPJONC-OAHLLOKOSA-N 0 1 263.287 3.643 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1cccc(C(C)(C)O)c1 ZINC001240406217 1130293132 /nfs/dbraw/zinc/29/31/32/1130293132.db2.gz FXULZRRKFPOFIR-UHFFFAOYSA-N 0 1 266.344 3.766 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1cccc(C(C)(C)O)c1 ZINC001240406784 1130294415 /nfs/dbraw/zinc/29/44/15/1130294415.db2.gz ATWKAIXPOSIXMK-UHFFFAOYSA-N 0 1 266.344 3.766 20 0 CHADMN CC(C)(NCc1cn2cccc(F)c2n1)c1cccs1 ZINC000677322986 1130300977 /nfs/dbraw/zinc/30/09/77/1130300977.db2.gz URYBUHPBFMRNOZ-UHFFFAOYSA-N 0 1 289.379 3.560 20 0 CHADMN CC1(C)CN(Cc2coc(C3CC3)n2)CCc2ccccc21 ZINC000826903325 1130309464 /nfs/dbraw/zinc/30/94/64/1130309464.db2.gz PIONJVSWFSDUSF-UHFFFAOYSA-N 0 1 296.414 3.888 20 0 CHADMN COc1ccc(F)c(F)c1-c1cccc(CN(C)C)c1F ZINC001240438670 1130313019 /nfs/dbraw/zinc/31/30/19/1130313019.db2.gz PFZDBDFZKXHRJJ-UHFFFAOYSA-N 0 1 295.304 3.841 20 0 CHADMN CC(C)(C)c1cnc(CNCCSC(F)(F)F)s1 ZINC000790468487 1130315988 /nfs/dbraw/zinc/31/59/88/1130315988.db2.gz SUUCWJGAAQNELD-UHFFFAOYSA-N 0 1 298.399 3.783 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)N1CCC2(CC2)CC1 ZINC000677718510 1130323621 /nfs/dbraw/zinc/32/36/21/1130323621.db2.gz CQFQNEAQZAFCEN-LLVKDONJSA-N 0 1 289.404 3.735 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)N(C)C[C@@H](O)C1CC1 ZINC000677893790 1130337744 /nfs/dbraw/zinc/33/77/44/1130337744.db2.gz SYEDTELOBZILET-YMTOWFKASA-N 0 1 288.218 3.757 20 0 CHADMN Cc1nn(C)c(Cl)c1CNc1nccc(C)c1C1CC1 ZINC000827011975 1130337792 /nfs/dbraw/zinc/33/77/92/1130337792.db2.gz PMIGOXPCVGRZCZ-UHFFFAOYSA-N 0 1 290.798 3.575 20 0 CHADMN Cc1cc(CNC(=O)C/C=C/c2ccc(C(C)C)cc2)n[nH]1 ZINC000677926041 1130339056 /nfs/dbraw/zinc/33/90/56/1130339056.db2.gz VGKGINJQRJRKLR-SNAWJCMRSA-N 0 1 297.402 3.561 20 0 CHADMN CCOC(=O)c1cc(C(F)(F)F)ccc1-c1cn[nH]c1C ZINC001240521432 1130340639 /nfs/dbraw/zinc/34/06/39/1130340639.db2.gz PJUOMHQMCVADDG-UHFFFAOYSA-N 0 1 298.264 3.581 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1cccc(N2CCCC2)c1 ZINC001240537378 1130349654 /nfs/dbraw/zinc/34/96/54/1130349654.db2.gz FMISABBBPSASTK-UHFFFAOYSA-N 0 1 281.334 3.969 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2n[nH]c3ccccc32)cc1 ZINC000678122782 1130351486 /nfs/dbraw/zinc/35/14/86/1130351486.db2.gz VSCUEQDSQMJCTJ-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN Cc1ccc(CN(C)Cc2[nH]nc3ccccc32)cc1 ZINC000678122782 1130351497 /nfs/dbraw/zinc/35/14/97/1130351497.db2.gz VSCUEQDSQMJCTJ-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN CCCN(Cc1nn(C)c2ccccc12)Cc1ccccc1 ZINC000678121375 1130351888 /nfs/dbraw/zinc/35/18/88/1130351888.db2.gz IHGUAUNHRPTNDB-UHFFFAOYSA-N 0 1 293.414 3.986 20 0 CHADMN CCC(C)(C)c1ccc(NC(=O)C2(N(C)C)CCC2)cc1 ZINC000791188315 1130355886 /nfs/dbraw/zinc/35/58/86/1130355886.db2.gz UYNMGFTXWSVYGB-UHFFFAOYSA-N 0 1 288.435 3.797 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cn3cccc(F)c3n2)cc1 ZINC000678136732 1130357170 /nfs/dbraw/zinc/35/71/70/1130357170.db2.gz HFIVUBUQAIYXLZ-CQSZACIVSA-N 0 1 297.377 3.975 20 0 CHADMN c1cc(-c2cccc(-c3nccc4[nH]ccc43)c2)n[nH]1 ZINC001240560820 1130358741 /nfs/dbraw/zinc/35/87/41/1130358741.db2.gz NZZVRKSEUHJWEM-UHFFFAOYSA-N 0 1 260.300 3.620 20 0 CHADMN CN(CCCc1ccccc1)Cc1cn2cccc(F)c2n1 ZINC000678141758 1130358956 /nfs/dbraw/zinc/35/89/56/1130358956.db2.gz QMIITMWTISCALM-UHFFFAOYSA-N 0 1 297.377 3.538 20 0 CHADMN CCCN(Cc1ccccc1F)Cc1cccnc1C ZINC000678146896 1130359371 /nfs/dbraw/zinc/35/93/71/1130359371.db2.gz XZBJLPKMASLBJU-UHFFFAOYSA-N 0 1 272.367 3.941 20 0 CHADMN CCn1nc(C)c(CN(C)[C@@H](C)c2cccc(F)c2)c1C ZINC000678140998 1130360698 /nfs/dbraw/zinc/36/06/98/1130360698.db2.gz YNFFXLPOTISHGS-ZDUSSCGKSA-N 0 1 289.398 3.852 20 0 CHADMN COCCN(Cc1cscc1Cl)CC(C)C ZINC000678156376 1130362787 /nfs/dbraw/zinc/36/27/87/1130362787.db2.gz VPIQTYBJSVYECD-UHFFFAOYSA-N 0 1 261.818 3.506 20 0 CHADMN Cn1ccc2ccc(-c3nc[nH]c4nc(=S)sc3-4)cc21 ZINC001240571507 1130364335 /nfs/dbraw/zinc/36/43/35/1130364335.db2.gz IOKQJIJKILOTRO-UHFFFAOYSA-N 0 1 298.396 3.534 20 0 CHADMN COc1ccc(CN(C)Cc2n[nH]c3ccccc32)cc1C ZINC000678225715 1130373742 /nfs/dbraw/zinc/37/37/42/1130373742.db2.gz RCARAKJODXFSSM-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN COc1ccc(CN(C)Cc2[nH]nc3ccccc32)cc1C ZINC000678225715 1130373747 /nfs/dbraw/zinc/37/37/47/1130373747.db2.gz RCARAKJODXFSSM-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN CCOC(=O)c1cc2[nH]c(-c3cc(C)cc(F)c3)ccc-2n1 ZINC001240593900 1130377520 /nfs/dbraw/zinc/37/75/20/1130377520.db2.gz UWNVIZITTUYMOC-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN CC(C)(C)c1n[nH]cc1CN1CCCc2sccc2C1 ZINC000678259664 1130380910 /nfs/dbraw/zinc/38/09/10/1130380910.db2.gz WFWSTPZXRQZLBE-UHFFFAOYSA-N 0 1 289.448 3.717 20 0 CHADMN c1nc([C@@H]2CCCO2)sc1CN1C2CCCC1CCC2 ZINC000678279240 1130387697 /nfs/dbraw/zinc/38/76/97/1130387697.db2.gz MCWMNAAMVAGDHL-PIMMBPRGSA-N 0 1 292.448 3.902 20 0 CHADMN CN(Cc1cc2ccccc2[nH]1)Cc1cccs1 ZINC000678278046 1130387819 /nfs/dbraw/zinc/38/78/19/1130387819.db2.gz KGSLRCZXOROOER-UHFFFAOYSA-N 0 1 256.374 3.861 20 0 CHADMN Clc1ccc2ncc(CN3C4CCCC3CCC4)n2c1 ZINC000678278634 1130388155 /nfs/dbraw/zinc/38/81/55/1130388155.db2.gz DRNMBIIHMDEQQH-UHFFFAOYSA-N 0 1 289.810 3.895 20 0 CHADMN Cc1cc(C)c(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1C ZINC000678294020 1130392979 /nfs/dbraw/zinc/39/29/79/1130392979.db2.gz LCLYTYRJLNLWMP-GOSISDBHSA-N 0 1 285.387 3.778 20 0 CHADMN Cc1cc(C)c(CN2CCO[C@@H](c3ccco3)C2)cc1C ZINC000678294020 1130392984 /nfs/dbraw/zinc/39/29/84/1130392984.db2.gz LCLYTYRJLNLWMP-GOSISDBHSA-N 0 1 285.387 3.778 20 0 CHADMN Cn1cccc1[C@H]1CCCC[N@H+]1Cc1[nH]nc2ccccc21 ZINC000678295402 1130394148 /nfs/dbraw/zinc/39/41/48/1130394148.db2.gz YVOVEBRFQGIOQB-GOSISDBHSA-N 0 1 294.402 3.629 20 0 CHADMN Cn1cccc1[C@H]1CCCC[N@H+]1Cc1n[nH]c2ccccc21 ZINC000678295402 1130394163 /nfs/dbraw/zinc/39/41/63/1130394163.db2.gz YVOVEBRFQGIOQB-GOSISDBHSA-N 0 1 294.402 3.629 20 0 CHADMN Cn1cccc1[C@H]1CCCCN1Cc1[nH]nc2ccccc21 ZINC000678295402 1130394168 /nfs/dbraw/zinc/39/41/68/1130394168.db2.gz YVOVEBRFQGIOQB-GOSISDBHSA-N 0 1 294.402 3.629 20 0 CHADMN Cc1cc(C)cc(CNCc2ccnc(Cl)c2F)c1 ZINC000827088122 1130396445 /nfs/dbraw/zinc/39/64/45/1130396445.db2.gz ZWUDISQNORKZKK-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN Clc1cscc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000678340119 1130400113 /nfs/dbraw/zinc/40/01/13/1130400113.db2.gz SENMKLPHAPKUOF-RYUDHWBXSA-N 0 1 285.840 3.650 20 0 CHADMN C[C@@H]1CN(Cc2cccc(NCC(C)(C)C)c2)C[C@H](C)O1 ZINC000678345010 1130406927 /nfs/dbraw/zinc/40/69/27/1130406927.db2.gz KWGURKVBDBEIAC-GASCZTMLSA-N 0 1 290.451 3.754 20 0 CHADMN COc1cccc2c1OCC[C@@H]2N[C@@H](C)c1cnccc1C ZINC000678425854 1130415291 /nfs/dbraw/zinc/41/52/91/1130415291.db2.gz CWTXUCDDYNABQV-BBRMVZONSA-N 0 1 298.386 3.573 20 0 CHADMN Cc1cccn2cc(CN3CC[C@@H](C)C4(CCC4)C3)nc12 ZINC000678469462 1130419689 /nfs/dbraw/zinc/41/96/89/1130419689.db2.gz ZMMRDCUMFYFLIF-OAHLLOKOSA-N 0 1 283.419 3.655 20 0 CHADMN CO[C@@H](C)CN(Cc1cccc(F)c1Cl)C(C)C ZINC000678520732 1130425380 /nfs/dbraw/zinc/42/53/80/1130425380.db2.gz YQSATXAVHYPVJY-NSHDSACASA-N 0 1 273.779 3.724 20 0 CHADMN COc1ccc2c(c1)OCC[C@H]2N[C@@H](C)c1cnccc1C ZINC000678545853 1130426645 /nfs/dbraw/zinc/42/66/45/1130426645.db2.gz QWOKLMHBHBJBRH-SUMWQHHRSA-N 0 1 298.386 3.573 20 0 CHADMN CCC[C@@H](C)NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000678541256 1130426670 /nfs/dbraw/zinc/42/66/70/1130426670.db2.gz VJZSVBDZEFJHAW-MRVPVSSYSA-N 0 1 296.321 3.811 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(F)cn1)CC2 ZINC000678584462 1130432495 /nfs/dbraw/zinc/43/24/95/1130432495.db2.gz PXYPAAGLRHQXMK-SJCJKPOMSA-N 0 1 270.351 3.867 20 0 CHADMN COc1c(F)ccc(F)c1-c1ccc2[nH]c(C)nc2c1 ZINC001240722987 1130439061 /nfs/dbraw/zinc/43/90/61/1130439061.db2.gz IKKAJTMKGDNAIF-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN COc1c(F)ccc(F)c1-c1cc2nc[nH]c2c(C)c1 ZINC001240723304 1130439164 /nfs/dbraw/zinc/43/91/64/1130439164.db2.gz PXDHJAHKWPXXNV-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN C[C@H](N[C@@H](CO)CC1CC1)c1cc(Cl)sc1Cl ZINC000678606116 1130439653 /nfs/dbraw/zinc/43/96/53/1130439653.db2.gz GUCZPBUNODLMSV-IONNQARKSA-N 0 1 294.247 3.867 20 0 CHADMN CCOC(=O)c1cc2ccc(-c3cccc(F)c3C)[nH]c-2n1 ZINC001240729363 1130442997 /nfs/dbraw/zinc/44/29/97/1130442997.db2.gz MOCHBUWAJSNORP-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN Clc1ccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000678639177 1130443144 /nfs/dbraw/zinc/44/31/44/1130443144.db2.gz NTMLDDPRFUHOQP-JKSUJKDBSA-N 0 1 293.838 3.979 20 0 CHADMN FC1(F)CC2(C1)CCN(Cc1n[nH]c3ccccc31)CC2 ZINC001137344941 1130447208 /nfs/dbraw/zinc/44/72/08/1130447208.db2.gz KBWGXTLYVGVDQM-UHFFFAOYSA-N 0 1 291.345 3.574 20 0 CHADMN CCC(CC)[C@H](NCc1cc(C)n(C)n1)c1ccccc1 ZINC000678750298 1130449339 /nfs/dbraw/zinc/44/93/39/1130449339.db2.gz XDJWGECVXGVXHY-SFHVURJKSA-N 0 1 285.435 3.996 20 0 CHADMN C[C@H]1CCc2ccccc2[C@@H]1NCc1cn2ccsc2n1 ZINC000678767455 1130450358 /nfs/dbraw/zinc/45/03/58/1130450358.db2.gz KKOLYYNULAJWFB-BLLLJJGKSA-N 0 1 297.427 3.809 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(F)cn1 ZINC000678770891 1130452480 /nfs/dbraw/zinc/45/24/80/1130452480.db2.gz WCSGZQAWLADLQZ-SJKOYZFVSA-N 0 1 270.351 3.634 20 0 CHADMN Cc1ccc(CN(C)Cc2n[nH]c3ccccc32)cc1C ZINC001137352472 1130461840 /nfs/dbraw/zinc/46/18/40/1130461840.db2.gz ZCYDUESDRAEXDH-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN C[C@@H](NCc1ncccc1C(F)(F)F)c1ccccc1 ZINC000678863918 1130466865 /nfs/dbraw/zinc/46/68/65/1130466865.db2.gz JMLSSBRQWVAWNP-LLVKDONJSA-N 0 1 280.293 3.951 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1ccc(OC)cn1 ZINC000678882718 1130467869 /nfs/dbraw/zinc/46/78/69/1130467869.db2.gz KIYYQMIEXQUNQY-GOSISDBHSA-N 0 1 282.387 3.600 20 0 CHADMN CC[C@H](NCc1nnc(C(C)C)o1)C1CCCCC1 ZINC000678895594 1130468452 /nfs/dbraw/zinc/46/84/52/1130468452.db2.gz RUMHOVHINSWKKT-ZDUSSCGKSA-N 0 1 265.401 3.642 20 0 CHADMN CC[C@@H]1CC[C@H](C)N(Cc2nc(CCC(C)C)no2)C1 ZINC001170280126 1130478406 /nfs/dbraw/zinc/47/84/06/1130478406.db2.gz ASHWTZZTQSFAFA-UONOGXRCSA-N 0 1 279.428 3.669 20 0 CHADMN C[C@H](Cc1ccccc1Cl)N1CCc2ncccc2C1 ZINC001170283492 1130479325 /nfs/dbraw/zinc/47/93/25/1130479325.db2.gz LYEUPXJLFDMNFE-CYBMUJFWSA-N 0 1 286.806 3.724 20 0 CHADMN C[C@H](Cc1ccccc1Cl)N1CCn2cccc2C1 ZINC001170286399 1130479485 /nfs/dbraw/zinc/47/94/85/1130479485.db2.gz YEXFSZHIASIENK-CYBMUJFWSA-N 0 1 274.795 3.588 20 0 CHADMN C[C@H](Cc1ccccc1Cl)N1CC2(C1)C[C@@H](F)CS2 ZINC001170286682 1130479973 /nfs/dbraw/zinc/47/99/73/1130479973.db2.gz FDXVDDUDQXZGQZ-DGCLKSJQSA-N 0 1 299.842 3.800 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@H]1CCCOc2ccccc21 ZINC000678997162 1130481865 /nfs/dbraw/zinc/48/18/65/1130481865.db2.gz VMNWPULWDCXGNT-ABAIWWIYSA-N 0 1 286.375 3.856 20 0 CHADMN C[C@@H](N[C@H](CC1CC1)c1ccccc1)c1cnccn1 ZINC000679046362 1130486025 /nfs/dbraw/zinc/48/60/25/1130486025.db2.gz CSDGXFHFTJDZCR-CZUORRHYSA-N 0 1 267.376 3.669 20 0 CHADMN C[C@@H](N[C@@H](CC1CC1)c1ccccc1)c1nccn1C ZINC000679046597 1130487099 /nfs/dbraw/zinc/48/70/99/1130487099.db2.gz PDSKJGNOUGFTOA-CJNGLKHVSA-N 0 1 269.392 3.612 20 0 CHADMN C[C@@]1(CNC2(c3ccccc3F)CC2)CC1(Cl)Cl ZINC000828693877 1130490676 /nfs/dbraw/zinc/49/06/76/1130490676.db2.gz XZAZOPMWDMYWOV-LBPRGKRZSA-N 0 1 288.193 3.988 20 0 CHADMN CN1CCN(c2ccc(-c3cccc4cc[nH]c43)cc2)CC1 ZINC001240851994 1130492930 /nfs/dbraw/zinc/49/29/30/1130492930.db2.gz HYGNIJNZPHRBGI-UHFFFAOYSA-N 0 1 291.398 3.587 20 0 CHADMN Cc1cc(-c2ccc(N3CCN(C)CC3)cc2)ccc1F ZINC001240851982 1130493118 /nfs/dbraw/zinc/49/31/18/1130493118.db2.gz HPEOTLXVDFPVHF-UHFFFAOYSA-N 0 1 284.378 3.553 20 0 CHADMN Cc1cc2nc(NCc3[nH]nc4ccccc43)oc2c(C)c1 ZINC000679122736 1130495209 /nfs/dbraw/zinc/49/52/09/1130495209.db2.gz ZRAYQKMRNSOOPL-UHFFFAOYSA-N 0 1 292.342 3.933 20 0 CHADMN CC(C)Oc1ccc(CN2CC[C@@H](C)[C@@H](F)C2)cc1 ZINC000679223899 1130503653 /nfs/dbraw/zinc/50/36/53/1130503653.db2.gz MJIFNTSQDDZHFE-CJNGLKHVSA-N 0 1 265.372 3.654 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)[C@@H](F)C2)c2ccccc2n1 ZINC000679227069 1130505380 /nfs/dbraw/zinc/50/53/80/1130505380.db2.gz WVYSVOPFYHISCI-WBMJQRKESA-N 0 1 272.367 3.723 20 0 CHADMN FCCN(Cc1cccs1)C1Cc2ccccc2C1 ZINC000792924789 1130508054 /nfs/dbraw/zinc/50/80/54/1130508054.db2.gz IUJYWAVKQVKKGL-UHFFFAOYSA-N 0 1 275.392 3.687 20 0 CHADMN Clc1ccc(CN2CC=CCC2)c2ncccc12 ZINC000679324025 1130514068 /nfs/dbraw/zinc/51/40/68/1130514068.db2.gz ZIQQOPLUFKLTAY-UHFFFAOYSA-N 0 1 258.752 3.650 20 0 CHADMN CCN(Cc1ccc(C(C)(C)C)[nH]1)Cc1ccncc1 ZINC001137371115 1130515453 /nfs/dbraw/zinc/51/54/53/1130515453.db2.gz YRYQMDZDBUZMIX-UHFFFAOYSA-N 0 1 271.408 3.729 20 0 CHADMN Cc1[nH]ncc1[C@H](C)Nc1ccc2oc(C3CC3)nc2c1 ZINC000679359373 1130520074 /nfs/dbraw/zinc/52/00/74/1130520074.db2.gz CDQYRLMYGKRFIW-VIFPVBQESA-N 0 1 282.347 3.910 20 0 CHADMN C[C@H]1CN(Cc2ccc(C(C)(C)C)[nH]2)CCC1(F)F ZINC001137372183 1130523105 /nfs/dbraw/zinc/52/31/05/1130523105.db2.gz LZVMWZMZSISMHT-NSHDSACASA-N 0 1 270.367 3.789 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C(C)(C)C)[nH]2)cc1 ZINC001137372440 1130523979 /nfs/dbraw/zinc/52/39/79/1130523979.db2.gz VHPSSPRHKKWFCL-UHFFFAOYSA-N 0 1 286.419 3.953 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cccc2ncccc21 ZINC001240937889 1130524064 /nfs/dbraw/zinc/52/40/64/1130524064.db2.gz FYJQIIREUYVGND-UHFFFAOYSA-N 0 1 275.311 3.787 20 0 CHADMN CO[C@@H]1CCC[C@@H](N[C@H](CCc2ccccc2)C(F)F)C1 ZINC000679389418 1130524594 /nfs/dbraw/zinc/52/45/94/1130524594.db2.gz WLZZJYOYISCLOM-BZUAXINKSA-N 0 1 297.389 3.800 20 0 CHADMN C[C@H]1C[C@@H](NC(C)(C)C(F)F)CN(Cc2ccccc2)C1 ZINC000793253551 1130536138 /nfs/dbraw/zinc/53/61/38/1130536138.db2.gz ATOYFRHKFCIYAF-DZGCQCFKSA-N 0 1 296.405 3.530 20 0 CHADMN COc1cc(F)c(-c2ccc(F)c(CN(C)C)c2)cc1F ZINC001240960040 1130537703 /nfs/dbraw/zinc/53/77/03/1130537703.db2.gz YYJVYDNRRXBGOX-UHFFFAOYSA-N 0 1 295.304 3.841 20 0 CHADMN C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccccc1F ZINC000679543367 1130538203 /nfs/dbraw/zinc/53/82/03/1130538203.db2.gz BSDLBEYZFFUKSK-CMPLNLGQSA-N 0 1 275.289 3.989 20 0 CHADMN CC(C)Cc1ccc(CNCc2cccnc2F)cc1 ZINC000793280758 1130540168 /nfs/dbraw/zinc/54/01/68/1130540168.db2.gz LQGNKOLSJBPADO-UHFFFAOYSA-N 0 1 272.367 3.709 20 0 CHADMN Cc1ccc(CN2C[C@H](C(F)(F)F)CC[C@H]2C)nc1 ZINC000679545124 1130540257 /nfs/dbraw/zinc/54/02/57/1130540257.db2.gz JHSUEKHSKOQAKS-VXGBXAGGSA-N 0 1 272.314 3.553 20 0 CHADMN CC(C)c1ccc(CNCc2cccnc2F)cc1 ZINC000793280637 1130540351 /nfs/dbraw/zinc/54/03/51/1130540351.db2.gz KYDIZKNCDWJGKO-UHFFFAOYSA-N 0 1 258.340 3.634 20 0 CHADMN Cc1nc2cccc(-c3ccc4occc(=O)c4c3)c2[nH]1 ZINC001240969343 1130542667 /nfs/dbraw/zinc/54/26/67/1130542667.db2.gz DWMMVUAOXMQGPM-UHFFFAOYSA-N 0 1 276.295 3.645 20 0 CHADMN CC(C)Oc1cccc(CN2CCC(F)(F)CC2)c1 ZINC000793361921 1130544804 /nfs/dbraw/zinc/54/48/04/1130544804.db2.gz MTGVZIRGEZIXCS-UHFFFAOYSA-N 0 1 269.335 3.705 20 0 CHADMN CN(Cc1ccccc1F)C[C@]1(C)CC1(Cl)Cl ZINC000827294712 1130546744 /nfs/dbraw/zinc/54/67/44/1130546744.db2.gz NLJPKBOCWOXREC-LBPRGKRZSA-N 0 1 276.182 3.841 20 0 CHADMN CN(Cc1ccc(C(C)(C)C)[nH]1)C[C@H]1Cc2ccccc2O1 ZINC001137380884 1130547291 /nfs/dbraw/zinc/54/72/91/1130547291.db2.gz ZYCXECRBFFLKCG-MRXNPFEDSA-N 0 1 298.430 3.748 20 0 CHADMN CC(C)CCn1cccc1CN1CCC(F)(F)CC1 ZINC000793351762 1130549452 /nfs/dbraw/zinc/54/94/52/1130549452.db2.gz GQHJANFEIPBJQF-UHFFFAOYSA-N 0 1 270.367 3.765 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N1CCC[C@@H](OC(F)F)C1 ZINC000679685621 1130551495 /nfs/dbraw/zinc/55/14/95/1130551495.db2.gz ZXJJGCFIECPDQH-ZIAGYGMSSA-N 0 1 287.325 3.980 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CCC[C@@H](OC(F)F)C1 ZINC000679678157 1130551628 /nfs/dbraw/zinc/55/16/28/1130551628.db2.gz KCIHWJYDQIOXLS-ZWNOBZJWSA-N 0 1 273.298 3.590 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C[C@@H](C)CC(C)(C)C)c1 ZINC000679726083 1130552720 /nfs/dbraw/zinc/55/27/20/1130552720.db2.gz XQCAJWPWGAMMQP-LLVKDONJSA-N 0 1 291.391 3.996 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(-c3ccncc3)c2)C[C@H]1F ZINC001137388571 1130555471 /nfs/dbraw/zinc/55/54/71/1130555471.db2.gz IWNFXWKGZVUNQY-RDTXWAMCSA-N 0 1 284.378 3.929 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cscc3Cl)cc2[nH]1 ZINC001137392914 1130562539 /nfs/dbraw/zinc/56/25/39/1130562539.db2.gz PHVWDZSFGWKAEX-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1cccc(-c2ccncc2)c1 ZINC001137393898 1130566277 /nfs/dbraw/zinc/56/62/77/1130566277.db2.gz NZSIIXCLCHEOMI-IBGZPJMESA-N 0 1 294.398 3.692 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCCc3ccc(F)cc32)n(C)n1 ZINC000793567735 1130570913 /nfs/dbraw/zinc/57/09/13/1130570913.db2.gz PMEUBRDNAZVURY-LRDDRELGSA-N 0 1 287.382 3.596 20 0 CHADMN C[C@@H]1CCC[C@H](CCOC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000757999110 1130593064 /nfs/dbraw/zinc/59/30/64/1130593064.db2.gz YXOHSVPWNPKARP-MGPQQGTHSA-N 0 1 290.407 3.589 20 0 CHADMN CCC(CC)N(Cn1cc(C)cnc1=S)C1CC1 ZINC000758306237 1130604786 /nfs/dbraw/zinc/60/47/86/1130604786.db2.gz MCIZKECHGYBFAM-UHFFFAOYSA-N 0 1 265.426 3.532 20 0 CHADMN CC[C@]1(C)CC[N@@H+](Cn2ccn(C(C)C)c2=S)C1 ZINC000758392053 1130609816 /nfs/dbraw/zinc/60/98/16/1130609816.db2.gz PEDNGGUPQWNCQU-CQSZACIVSA-N 0 1 267.442 3.679 20 0 CHADMN CC[C@]1(C)CCN(Cn2ccn(C(C)C)c2=S)C1 ZINC000758392053 1130609817 /nfs/dbraw/zinc/60/98/17/1130609817.db2.gz PEDNGGUPQWNCQU-CQSZACIVSA-N 0 1 267.442 3.679 20 0 CHADMN Cc1cn[nH]c1CN1CCCc2cc(C(C)C)ccc21 ZINC000811488479 1130613170 /nfs/dbraw/zinc/61/31/70/1130613170.db2.gz YQHJMBSOOMGGKJ-UHFFFAOYSA-N 0 1 269.392 3.794 20 0 CHADMN CC(C)[C@H]1CCN1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000759068587 1130635011 /nfs/dbraw/zinc/63/50/11/1130635011.db2.gz FQKVASOGXWYSKC-ZIAGYGMSSA-N 0 1 288.218 3.757 20 0 CHADMN CC(C)(C)N1CC(Oc2ccc(Cl)c3ncccc23)C1 ZINC001234341768 1130638442 /nfs/dbraw/zinc/63/84/42/1130638442.db2.gz RRJVYWBKECMMBN-UHFFFAOYSA-N 0 1 290.794 3.750 20 0 CHADMN CCN(Cc1cccc(F)c1)C[C@H](C)C(F)(F)F ZINC000441176264 1130638727 /nfs/dbraw/zinc/63/87/27/1130638727.db2.gz YKLQFXAVPGILBU-JTQLQIEISA-N 0 1 263.278 3.846 20 0 CHADMN Cc1ccc(C)c([C@@H](C)NCc2cccc(F)n2)c1 ZINC000747742939 1130648109 /nfs/dbraw/zinc/64/81/09/1130648109.db2.gz CGOBDHUUPMIJHU-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN FCCN1CCc2ccccc2[C@H]1c1ccccc1 ZINC000759348779 1130652997 /nfs/dbraw/zinc/65/29/97/1130652997.db2.gz SSMKHAPNHJIUHH-QGZVFWFLSA-N 0 1 255.336 3.604 20 0 CHADMN Cc1cccc(OCCCNc2cc(C)ccn2)c1 ZINC000759677050 1130669685 /nfs/dbraw/zinc/66/96/85/1130669685.db2.gz BOSHNDGIHWHTRQ-UHFFFAOYSA-N 0 1 256.349 3.579 20 0 CHADMN CC(C)(C)N1CC(Oc2ccc(F)c3cc(O)ccc23)C1 ZINC001234692759 1130673315 /nfs/dbraw/zinc/67/33/15/1130673315.db2.gz PLSUBZCPRGHSQB-UHFFFAOYSA-N 0 1 289.350 3.546 20 0 CHADMN CCCCCC[C@H](CC)Oc1nc(F)nc2nc[nH]c21 ZINC001234689969 1130673715 /nfs/dbraw/zinc/67/37/15/1130673715.db2.gz LBOSAKLOXWJFBO-JTQLQIEISA-N 0 1 280.347 3.620 20 0 CHADMN C[C@H](COCc1ccccc1)NCc1nc2ccccc2o1 ZINC000638708502 1130675778 /nfs/dbraw/zinc/67/57/78/1130675778.db2.gz NEZZERCXTGBGEQ-CQSZACIVSA-N 0 1 296.370 3.523 20 0 CHADMN Cc1ccc(CCNCc2nc(C(C)(C)C)cs2)o1 ZINC000689804814 1130678280 /nfs/dbraw/zinc/67/82/80/1130678280.db2.gz WYRWBNXUFLAVMS-UHFFFAOYSA-N 0 1 278.421 3.674 20 0 CHADMN CCC[C@@H](C)CCNC(=O)c1ccc(CN(CC)CC)o1 ZINC001133211116 1130679429 /nfs/dbraw/zinc/67/94/29/1130679429.db2.gz MQBSYEQWJKJFCB-CQSZACIVSA-N 0 1 294.439 3.678 20 0 CHADMN CC(C)(C)N1CC(Oc2ccc3cnc(Cl)cc3c2)C1 ZINC001234861099 1130684432 /nfs/dbraw/zinc/68/44/32/1130684432.db2.gz AQMKYNPWRUVNCG-UHFFFAOYSA-N 0 1 290.794 3.750 20 0 CHADMN CC(C)(CC(F)(F)F)NCc1cccnc1Cl ZINC000780586788 1130685957 /nfs/dbraw/zinc/68/59/57/1130685957.db2.gz FVXGGCFVBABBBP-UHFFFAOYSA-N 0 1 266.694 3.556 20 0 CHADMN CCN1CCC[C@H](Oc2cc(Cl)cc(Cl)c2F)C1 ZINC001234928731 1130692841 /nfs/dbraw/zinc/69/28/41/1130692841.db2.gz FMLXPSAVUHNURW-JTQLQIEISA-N 0 1 292.181 3.996 20 0 CHADMN CCOC(=O)c1cc(C[N@H+]2CCC[C@@H]2c2ccccc2)c[nH]1 ZINC001234945526 1130695233 /nfs/dbraw/zinc/69/52/33/1130695233.db2.gz FFXREZDHJDWPKK-QGZVFWFLSA-N 0 1 298.386 3.529 20 0 CHADMN CC/C(C)=C(/C)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000780937217 1130695869 /nfs/dbraw/zinc/69/58/69/1130695869.db2.gz DMMAQDYRTHXFSC-KTKRTIGZSA-N 0 1 291.782 3.579 20 0 CHADMN CCN(C)Cc1cc(Cl)cc(Br)c1F ZINC001234968214 1130698702 /nfs/dbraw/zinc/69/87/02/1130698702.db2.gz HRIJLLRQBXVAGF-UHFFFAOYSA-N 0 1 280.568 3.693 20 0 CHADMN CC/C(C)=C(\C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000781013675 1130699158 /nfs/dbraw/zinc/69/91/58/1130699158.db2.gz DXYQJAXQHREKLZ-MDZDMXLPSA-N 0 1 257.337 3.556 20 0 CHADMN CCCCCN(CCCCC)Cc1ncc(F)cn1 ZINC001235017928 1130702620 /nfs/dbraw/zinc/70/26/20/1130702620.db2.gz OCRAPGJYPIZOGI-UHFFFAOYSA-N 0 1 267.392 3.798 20 0 CHADMN Cc1nnc(-c2ccc(CN(C)Cc3ccsc3)cc2)o1 ZINC001235051684 1130706559 /nfs/dbraw/zinc/70/65/59/1130706559.db2.gz OCRDLJVGGZFXQH-UHFFFAOYSA-N 0 1 299.399 3.739 20 0 CHADMN c1ccc(N2CC[C@@H](Nc3cc4c(cn3)CCCC4)C2)cc1 ZINC000812739427 1130709814 /nfs/dbraw/zinc/70/98/14/1130709814.db2.gz QYPDVEPFZALQAL-QGZVFWFLSA-N 0 1 293.414 3.651 20 0 CHADMN C[N@@H+](Cc1ccsc1)Cc1cccc(N2CCCC2)c1 ZINC001235097634 1130710954 /nfs/dbraw/zinc/71/09/54/1130710954.db2.gz XTXFWJSKRDUBPM-UHFFFAOYSA-N 0 1 286.444 3.980 20 0 CHADMN FC[C@H]1CCCN1Cc1ccc(Oc2cccnc2)cc1 ZINC001235125503 1130713426 /nfs/dbraw/zinc/71/34/26/1130713426.db2.gz FUEZDJFJCVNVAH-OAHLLOKOSA-N 0 1 286.350 3.808 20 0 CHADMN Cc1ncc2c(n1)CCC[C@H]2N[C@H]1CCc2c1cccc2F ZINC000747815066 1130714513 /nfs/dbraw/zinc/71/45/13/1130714513.db2.gz ARJNERQYNKNJEZ-MSOLQXFVSA-N 0 1 297.377 3.579 20 0 CHADMN CCC(CC)N(C)Cc1cc(F)c(F)c(F)c1F ZINC001235351330 1130735972 /nfs/dbraw/zinc/73/59/72/1130735972.db2.gz OCCOLFCPVUGYTD-UHFFFAOYSA-N 0 1 263.278 3.863 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C2CCCCCCC2)c1 ZINC000781434453 1130717107 /nfs/dbraw/zinc/71/71/07/1130717107.db2.gz FZVZZDFVMGZMJX-UHFFFAOYSA-N 0 1 289.375 3.894 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1cncc(C(F)(F)F)c1 ZINC000812831832 1130720924 /nfs/dbraw/zinc/72/09/24/1130720924.db2.gz FNQQRJWSGNLSAA-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN COc1cc2c(cc1Cl)CN(CCCC1CC1)CC2 ZINC001170689895 1130724662 /nfs/dbraw/zinc/72/46/62/1130724662.db2.gz BKUZPDZSDGSFFS-UHFFFAOYSA-N 0 1 279.811 3.897 20 0 CHADMN Fc1cccc2cc(CN3C[C@H]4CC[C@@H](C3)C4(F)F)[nH]c21 ZINC001235242177 1130725828 /nfs/dbraw/zinc/72/58/28/1130725828.db2.gz YNLGOODQSBNRRK-TXEJJXNPSA-N 0 1 294.320 3.784 20 0 CHADMN Fc1cccc2cc(CN3CCC(C(F)F)CC3)[nH]c21 ZINC001235249131 1130728319 /nfs/dbraw/zinc/72/83/19/1130728319.db2.gz PAYHUYKKXMGLMT-UHFFFAOYSA-N 0 1 282.309 3.784 20 0 CHADMN COc1cc(C[N@H+]2CCCC[C@H](C)C2)cc(F)c1F ZINC001235433952 1130744274 /nfs/dbraw/zinc/74/42/74/1130744274.db2.gz CXZGZBPGRJRINU-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccc(Cl)nc1 ZINC000781926203 1130748914 /nfs/dbraw/zinc/74/89/14/1130748914.db2.gz WRFLSHQUMGSPIW-ZJUUUORDSA-N 0 1 279.746 3.681 20 0 CHADMN C[C@@H]1CC[C@]2(CCN(Cc3ccc(Cl)nc3)C2)C1 ZINC000781928332 1130750354 /nfs/dbraw/zinc/75/03/54/1130750354.db2.gz LAOGLJGIFOLIEC-DOMZBBRYSA-N 0 1 264.800 3.747 20 0 CHADMN Cc1ncn(C)c1CN(C)Cc1cccc2ccccc21 ZINC001235545010 1130753961 /nfs/dbraw/zinc/75/39/61/1130753961.db2.gz VUDPHYVXXSLBGU-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN C[C@@H]1CCN(Cc2ccnc(N(C)C)c2)[C@@H](c2ccco2)C1 ZINC000782174096 1130758398 /nfs/dbraw/zinc/75/83/98/1130758398.db2.gz CUCAWBBHMZTZNN-GDBMZVCRSA-N 0 1 299.418 3.714 20 0 CHADMN CC[C@H]1CCCN(Cc2cccn2C(=O)OC(C)(C)C)C1 ZINC001235640119 1130760978 /nfs/dbraw/zinc/76/09/78/1130760978.db2.gz ANSYLUOJXLUVGH-AWEZNQCLSA-N 0 1 292.423 3.893 20 0 CHADMN c1ccc(-c2ccncc2)c(CN2CCCCC23COC3)c1 ZINC001235627937 1130761404 /nfs/dbraw/zinc/76/14/04/1130761404.db2.gz LAOUELPACDUSQH-UHFFFAOYSA-N 0 1 294.398 3.504 20 0 CHADMN Fc1ccc2[nH]c(CN3CCC4(CCCC4)CC3)nc2c1 ZINC001235686619 1130769835 /nfs/dbraw/zinc/76/98/35/1130769835.db2.gz ARTSCDPSXFBLLJ-UHFFFAOYSA-N 0 1 287.382 3.858 20 0 CHADMN Cc1ccc2ncc(-c3cc(Cl)ccc3O)nc2c1 ZINC001245049650 1130774076 /nfs/dbraw/zinc/77/40/76/1130774076.db2.gz TZSHKLWLGPLRGD-UHFFFAOYSA-N 0 1 270.719 3.964 20 0 CHADMN CN(C)Cc1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001235754937 1130777392 /nfs/dbraw/zinc/77/73/92/1130777392.db2.gz WBKSEDWVVVYGFG-UHFFFAOYSA-N 0 1 277.314 3.605 20 0 CHADMN CO[C@H](C)C[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000782472297 1130779553 /nfs/dbraw/zinc/77/95/53/1130779553.db2.gz OBBQJEOGXNVHLK-BXUZGUMPSA-N 0 1 287.325 3.877 20 0 CHADMN CCOc1cc(CN(C)Cc2cccs2)ccc1F ZINC001235802610 1130781639 /nfs/dbraw/zinc/78/16/39/1130781639.db2.gz ZMRAVHCTLYCSSD-UHFFFAOYSA-N 0 1 279.380 3.918 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cccc(Cl)n1 ZINC000783009974 1130794301 /nfs/dbraw/zinc/79/43/01/1130794301.db2.gz ATMNLZQPKHZDMO-NSHDSACASA-N 0 1 275.783 3.543 20 0 CHADMN Cc1cccc([C@H](C)OC(=O)Cc2[nH]nc3ccccc32)c1 ZINC000783158282 1130799469 /nfs/dbraw/zinc/79/94/69/1130799469.db2.gz SGQFQZUQJPSURF-ZDUSSCGKSA-N 0 1 294.354 3.718 20 0 CHADMN CC[C@@H](N[C@H](C)c1nccnc1C)c1ccc(F)cc1 ZINC000783228613 1130803872 /nfs/dbraw/zinc/80/38/72/1130803872.db2.gz AQIRMVIWLXISEJ-IUODEOHRSA-N 0 1 273.355 3.726 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H](C)c1ccc2c(c1)CCC2 ZINC000783227143 1130804022 /nfs/dbraw/zinc/80/40/22/1130804022.db2.gz TXZIXVWYWSGNEO-JSGCOSHPSA-N 0 1 281.403 3.686 20 0 CHADMN CCC(C)(C)c1ccc(CN2CC[C@H](N)C(F)(F)C2)cc1 ZINC001235915758 1130805027 /nfs/dbraw/zinc/80/50/27/1130805027.db2.gz SLMAWALYZFSBLY-HNNXBMFYSA-N 0 1 296.405 3.543 20 0 CHADMN C[C@H](CN[C@@H](c1ncc[nH]1)c1ccccc1)C(C)(C)C ZINC000783246304 1130806567 /nfs/dbraw/zinc/80/65/67/1130806567.db2.gz QVOOGLUJTIMAKI-UKRRQHHQSA-N 0 1 271.408 3.771 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1cccc(C(F)F)c1 ZINC000783310743 1130815096 /nfs/dbraw/zinc/81/50/96/1130815096.db2.gz RKPDGZKGSNWSRS-LLVKDONJSA-N 0 1 277.318 3.573 20 0 CHADMN Cc1ccc(-c2nc(F)nc3nc[nH]c32)c(Cl)c1Cl ZINC001245092465 1130815807 /nfs/dbraw/zinc/81/58/07/1130815807.db2.gz LDIGOFCWZCIKNO-UHFFFAOYSA-N 0 1 297.120 3.726 20 0 CHADMN CCN(Cc1ccc(N)c(F)c1)Cc1ccccc1F ZINC001235959966 1130816716 /nfs/dbraw/zinc/81/67/16/1130816716.db2.gz GILJHBCMJQFNDV-UHFFFAOYSA-N 0 1 276.330 3.569 20 0 CHADMN Cc1nc2ccccc2nc1-c1c(F)cc(F)c(O)c1F ZINC001235984398 1130822835 /nfs/dbraw/zinc/82/28/35/1130822835.db2.gz FSWLAHLDDPCPHM-UHFFFAOYSA-N 0 1 290.244 3.728 20 0 CHADMN CC(C)Oc1cccc(-c2c(F)cc(F)c(O)c2F)n1 ZINC001235986775 1130823514 /nfs/dbraw/zinc/82/35/14/1130823514.db2.gz XLTVMBITJJCQAB-UHFFFAOYSA-N 0 1 283.249 3.659 20 0 CHADMN COC(=O)Nc1cccc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235995848 1130824747 /nfs/dbraw/zinc/82/47/47/1130824747.db2.gz HFVVLRVKPFTOHP-UHFFFAOYSA-N 0 1 297.232 3.655 20 0 CHADMN CSCc1ccc(-c2c(F)cc(F)c(O)c2F)nc1 ZINC001235992253 1130825450 /nfs/dbraw/zinc/82/54/50/1130825450.db2.gz FUZVCPRFJVBTCJ-UHFFFAOYSA-N 0 1 285.290 3.735 20 0 CHADMN COC(=O)c1ccc(-c2c(F)cc(F)c(O)c2F)c(C)c1 ZINC001235993895 1130825851 /nfs/dbraw/zinc/82/58/51/1130825851.db2.gz HDOGDOIPLJUTHI-UHFFFAOYSA-N 0 1 296.244 3.572 20 0 CHADMN CN(C)c1ccccc1-c1c(F)cc(F)c(O)c1F ZINC001235995286 1130825992 /nfs/dbraw/zinc/82/59/92/1130825992.db2.gz CMBKRSYTJNBOMM-UHFFFAOYSA-N 0 1 267.250 3.543 20 0 CHADMN Cc1cccc([C@H](N[C@H]2CCCSC2)c2ccccn2)c1 ZINC000783525749 1130835399 /nfs/dbraw/zinc/83/53/99/1130835399.db2.gz PDHAXJHDRVOFKB-WMZOPIPTSA-N 0 1 298.455 3.965 20 0 CHADMN Cc1nc(-c2ccnn2Cc2ccccc2)cc2[nH]ccc21 ZINC001236046082 1130836631 /nfs/dbraw/zinc/83/66/31/1130836631.db2.gz XSXWNCWHDKMWJO-UHFFFAOYSA-N 0 1 288.354 3.783 20 0 CHADMN O=C(CCCc1ccsc1)Nc1ccc2nc[nH]c2c1 ZINC000783575944 1130839479 /nfs/dbraw/zinc/83/94/79/1130839479.db2.gz PTZDYGNNXNCEQS-UHFFFAOYSA-N 0 1 285.372 3.586 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)CCCc1ccsc1 ZINC000783594647 1130841604 /nfs/dbraw/zinc/84/16/04/1130841604.db2.gz HFWKSBJHQAOESU-UHFFFAOYSA-N 0 1 299.346 3.679 20 0 CHADMN COCOc1ccc(F)cc1-c1ccc2nc[nH]c2c1C ZINC001236073215 1130848675 /nfs/dbraw/zinc/84/86/75/1130848675.db2.gz DFZGSGXMKUJCNR-UHFFFAOYSA-N 0 1 286.306 3.660 20 0 CHADMN Cc1cnc(=S)n(CN2CCC[C@@H](c3ccccc3)C2)c1 ZINC000814225995 1130848920 /nfs/dbraw/zinc/84/89/20/1130848920.db2.gz NNERWLOPOAVEBK-MRXNPFEDSA-N 0 1 299.443 3.758 20 0 CHADMN CC(C)Oc1ncccc1-c1ccc(CN(C)C2CC2)cn1 ZINC001236100606 1130861483 /nfs/dbraw/zinc/86/14/83/1130861483.db2.gz GQJHYSOYDSXBIJ-UHFFFAOYSA-N 0 1 297.402 3.525 20 0 CHADMN CC(C)n1ccn(CN(C)C[C@H]2CC=CCC2)c1=S ZINC000784015855 1130868717 /nfs/dbraw/zinc/86/87/17/1130868717.db2.gz RRSNZJAIBQPRDJ-AWEZNQCLSA-N 0 1 279.453 3.846 20 0 CHADMN CN[C@H]1CCN1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001236169022 1130878893 /nfs/dbraw/zinc/87/88/93/1130878893.db2.gz YBNNBZIKAQBAIC-QGZVFWFLSA-N 0 1 286.806 3.758 20 0 CHADMN NCc1ncc(-c2cccc3c4ccccc4sc32)cn1 ZINC001236229286 1130899079 /nfs/dbraw/zinc/89/90/79/1130899079.db2.gz XHIZPWIGWODRCH-UHFFFAOYSA-N 0 1 291.379 3.970 20 0 CHADMN C[C@H]1CN(Cc2cccnc2Cl)CC(C)(C)C1 ZINC000784349051 1130899813 /nfs/dbraw/zinc/89/98/13/1130899813.db2.gz CFVNOUNPDYRARL-LLVKDONJSA-N 0 1 252.789 3.603 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)[C@H](F)C(C)C)c2C1 ZINC000784443746 1130904742 /nfs/dbraw/zinc/90/47/42/1130904742.db2.gz FVXCZMLMLPAWDT-MRXNPFEDSA-N 0 1 292.398 3.591 20 0 CHADMN CN(C)Cc1cncc(C2=CC[C@H](C(F)(F)F)CC2)c1 ZINC001236256907 1130907559 /nfs/dbraw/zinc/90/75/59/1130907559.db2.gz UOKZXZABIDNYTO-AWEZNQCLSA-N 0 1 284.325 3.889 20 0 CHADMN CC(C)C(=O)Nc1ccc(-c2ccc3nc[nH]c3c2)cc1 ZINC001236261931 1130909045 /nfs/dbraw/zinc/90/90/45/1130909045.db2.gz ZZVMISJABPPQDT-UHFFFAOYSA-N 0 1 279.343 3.824 20 0 CHADMN CC1(C)[C@@H]2C[C@H](N3CCc4c([nH]nc4C(F)(F)F)C3)C[C@@H]21 ZINC001170764650 1130909589 /nfs/dbraw/zinc/90/95/89/1130909589.db2.gz LCCLUEKEVHUUHD-IHXVIFPJSA-N 0 1 299.340 3.778 20 0 CHADMN COc1cc(F)c(-c2cc3nc[nH]c3cc2C)cc1OC ZINC001236305843 1130911503 /nfs/dbraw/zinc/91/15/03/1130911503.db2.gz ASLUGGSWFNSGGP-UHFFFAOYSA-N 0 1 286.306 3.695 20 0 CHADMN CC(C)Oc1c(F)ccc(-c2cncc3nc[nH]c32)c1F ZINC001236343392 1130916398 /nfs/dbraw/zinc/91/63/98/1130916398.db2.gz GXUAMDJFASWXQU-UHFFFAOYSA-N 0 1 289.285 3.690 20 0 CHADMN CC(C)Oc1c(F)ccc(-c2cncc3[nH]cnc32)c1F ZINC001236343392 1130916401 /nfs/dbraw/zinc/91/64/01/1130916401.db2.gz GXUAMDJFASWXQU-UHFFFAOYSA-N 0 1 289.285 3.690 20 0 CHADMN Cc1c(-c2cccc3nc[nH]c32)cnn1-c1ccccc1 ZINC001236400475 1130927643 /nfs/dbraw/zinc/92/76/43/1130927643.db2.gz QOZXSHOUVGZZIB-UHFFFAOYSA-N 0 1 274.327 3.724 20 0 CHADMN COc1c(C)cc([C@@H](C)NCc2c[nH]nc2C)cc1Cl ZINC000796825959 1130935679 /nfs/dbraw/zinc/93/56/79/1130935679.db2.gz HWCNYXNVZKEFLX-SNVBAGLBSA-N 0 1 293.798 3.539 20 0 CHADMN C[C@H](N[C@@H](CC1CC1)c1ccccc1)c1ncc[nH]1 ZINC000796879669 1130942550 /nfs/dbraw/zinc/94/25/50/1130942550.db2.gz KUBUPQZGBWFDSX-WFASDCNBSA-N 0 1 255.365 3.602 20 0 CHADMN Fc1ccc(OC(F)F)c(N[C@H]2CCCc3[nH]ncc32)c1 ZINC000796885037 1130942847 /nfs/dbraw/zinc/94/28/47/1130942847.db2.gz FAZXGDSSNJNGTD-JTQLQIEISA-N 0 1 297.280 3.640 20 0 CHADMN COc1nc(C(C)C)ccc1-c1cc2nc[nH]c2cc1F ZINC001236448449 1130944458 /nfs/dbraw/zinc/94/44/58/1130944458.db2.gz WQAWTXNHTMKIRC-UHFFFAOYSA-N 0 1 285.322 3.896 20 0 CHADMN FC(F)(F)CC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC000257944760 1130945790 /nfs/dbraw/zinc/94/57/90/1130945790.db2.gz DUXYKDLZXJPABC-UHFFFAOYSA-N 0 1 255.283 3.771 20 0 CHADMN Cc1ccc(-c2cc(N3CCCCC3)ccn2)c2c[nH]nc21 ZINC001236483680 1130952934 /nfs/dbraw/zinc/95/29/34/1130952934.db2.gz DQPHGPNLJBRAGC-UHFFFAOYSA-N 0 1 292.386 3.924 20 0 CHADMN C[C@@H]1CCN(C[C@H](O)c2cccc3ccccc32)C[C@@H]1F ZINC000815087838 1130957809 /nfs/dbraw/zinc/95/78/09/1130957809.db2.gz QCLNNMHRBGPZKG-BVGQSLNGSA-N 0 1 287.378 3.553 20 0 CHADMN CCOc1ncc(Cl)cc1-c1cccc2nc(C)[nH]c21 ZINC001236498227 1130958350 /nfs/dbraw/zinc/95/83/50/1130958350.db2.gz UNVUPPAGPCSSBD-UHFFFAOYSA-N 0 1 287.750 3.985 20 0 CHADMN Cc1nc2ccc(-c3cncc(OC(C)C)c3)cc2[nH]1 ZINC001236518475 1130961413 /nfs/dbraw/zinc/96/14/13/1130961413.db2.gz GHHJSGOYMYMGGA-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN Cc1nc(F)ccc1CNCc1ccc(C(C)(F)F)cc1 ZINC000815141622 1130965837 /nfs/dbraw/zinc/96/58/37/1130965837.db2.gz DAKFVXLIACEOOD-UHFFFAOYSA-N 0 1 294.320 3.931 20 0 CHADMN CCOCC(C)(C)NCc1cc2ccccc2nc1Cl ZINC000815138037 1130966245 /nfs/dbraw/zinc/96/62/45/1130966245.db2.gz YZWWMLIOBGUQRL-UHFFFAOYSA-N 0 1 292.810 3.793 20 0 CHADMN CCc1cccc(Nc2cc([C@H]3CCCCN3)no2)c1 ZINC001159309923 1130973125 /nfs/dbraw/zinc/97/31/25/1130973125.db2.gz ZMGJTUOZVSIITI-CQSZACIVSA-N 0 1 271.364 3.795 20 0 CHADMN FCCN1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000815258486 1130976261 /nfs/dbraw/zinc/97/62/61/1130976261.db2.gz JMXKWTYHWVCYEG-UHFFFAOYSA-N 0 1 291.288 3.734 20 0 CHADMN COc1nscc1CN1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC001170782101 1130977576 /nfs/dbraw/zinc/97/75/76/1130977576.db2.gz DTTNDJHDNNOHGM-DGCLKSJQSA-N 0 1 282.453 3.798 20 0 CHADMN Cc1cccc(CN2CC[C@@](CF)(C(F)(F)F)C2)c1F ZINC001137672681 1130979275 /nfs/dbraw/zinc/97/92/75/1130979275.db2.gz STEATFIHMLOHLA-ZDUSSCGKSA-N 0 1 293.279 3.858 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C)n1 ZINC001236642373 1130987289 /nfs/dbraw/zinc/98/72/89/1130987289.db2.gz FIPMWNGAXGLELH-AWEZNQCLSA-N 0 1 252.789 3.808 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(Cl)cc(C)n1 ZINC001236642373 1130987293 /nfs/dbraw/zinc/98/72/93/1130987293.db2.gz FIPMWNGAXGLELH-AWEZNQCLSA-N 0 1 252.789 3.808 20 0 CHADMN CCOc1ccc(CN2CC[C@@H](C)C2)cc1Br ZINC001236661223 1130991148 /nfs/dbraw/zinc/99/11/48/1130991148.db2.gz KUKYVMFLFRSHNI-LLVKDONJSA-N 0 1 298.224 3.690 20 0 CHADMN CN(Cc1cncs1)Cc1cccc2sccc21 ZINC001236681300 1130993072 /nfs/dbraw/zinc/99/30/72/1130993072.db2.gz FYMCLYMMRSUWQV-UHFFFAOYSA-N 0 1 274.414 3.990 20 0 CHADMN C[C@H]1CCCCN(Cc2ccc(Br)c(O)c2)C1 ZINC001236691617 1130993855 /nfs/dbraw/zinc/99/38/55/1130993855.db2.gz INMCLSMWJPLLSD-NSHDSACASA-N 0 1 298.224 3.777 20 0 CHADMN F[C@H]1CN(Cc2cccc3sccc32)C[C@@H]2C[C@@H]21 ZINC001236685435 1130994731 /nfs/dbraw/zinc/99/47/31/1130994731.db2.gz CKBGMCTVFXLVCB-UBHSHLNASA-N 0 1 261.365 3.691 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2cc(C)nc(Cl)c2)CC1 ZINC000797590638 1130995988 /nfs/dbraw/zinc/99/59/88/1130995988.db2.gz GKGHYMXLXDCTNA-OAHLLOKOSA-N 0 1 296.842 3.825 20 0 CHADMN CCC[C@H]1CCCCN1Cc1cnc(OCC)c(F)c1 ZINC001236692663 1130996223 /nfs/dbraw/zinc/99/62/23/1130996223.db2.gz IUWKMZLWESZJKW-AWEZNQCLSA-N 0 1 280.387 3.774 20 0 CHADMN CC(C)C[NH+](Cc1ccc(F)c([O-])c1)CC(C)C ZINC001236701092 1130996278 /nfs/dbraw/zinc/99/62/78/1130996278.db2.gz BLAWFQDNFVKKBH-UHFFFAOYSA-N 0 1 253.361 3.645 20 0 CHADMN [O-]c1cc(C[N@@H+]2CC[C@H](C3CCCCC3)C2)ccc1F ZINC001236706861 1130996501 /nfs/dbraw/zinc/99/65/01/1130996501.db2.gz AJGFYUNXLKOVHR-HNNXBMFYSA-N 0 1 277.383 3.934 20 0 CHADMN [O-]c1cc(C[N@H+]2CC[C@H](C3CCCCC3)C2)ccc1F ZINC001236706861 1130996505 /nfs/dbraw/zinc/99/65/05/1130996505.db2.gz AJGFYUNXLKOVHR-HNNXBMFYSA-N 0 1 277.383 3.934 20 0 CHADMN Cc1c(F)ccc(CN2CC3CC(C3)C2)c1Cl ZINC001236716281 1130999622 /nfs/dbraw/zinc/99/96/22/1130999622.db2.gz VGJPDPQFSVTFON-UHFFFAOYSA-N 0 1 253.748 3.629 20 0 CHADMN O=C1CCN(Cc2cccc3ccoc32)[C@@H]2CCCC[C@H]12 ZINC001236733561 1131000634 /nfs/dbraw/zinc/00/06/34/1131000634.db2.gz UYHWWASWMOJFOX-JKSUJKDBSA-N 0 1 283.371 3.766 20 0 CHADMN O=C1CCN(Cc2cccc3occc32)[C@@H]2CCCC[C@@H]12 ZINC001236733574 1131001721 /nfs/dbraw/zinc/00/17/21/1131001721.db2.gz ARWAHFYINHQARR-HZPDHXFCSA-N 0 1 283.371 3.766 20 0 CHADMN Oc1ccc2c(c1)CCN(Cc1cccc3occc31)C2 ZINC001236738104 1131002253 /nfs/dbraw/zinc/00/22/53/1131002253.db2.gz SEWPOLXCWVIPQD-UHFFFAOYSA-N 0 1 279.339 3.697 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2CCC[C@@H](C)[C@H]2C)c1 ZINC001236771816 1131004918 /nfs/dbraw/zinc/00/49/18/1131004918.db2.gz LPMQRDBVBMTYJM-VXGBXAGGSA-N 0 1 295.810 3.747 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000815597259 1131006155 /nfs/dbraw/zinc/00/61/55/1131006155.db2.gz RBLRVLAKTMJROZ-ABAIWWIYSA-N 0 1 273.355 3.585 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1nn(C)c2ccccc12 ZINC000815616268 1131009313 /nfs/dbraw/zinc/00/93/13/1131009313.db2.gz KEAZMWHCKRFPIP-CYBMUJFWSA-N 0 1 297.377 3.872 20 0 CHADMN Cc1cc(Br)sc1CN1CC[C@@H](C)C1 ZINC001236829632 1131017110 /nfs/dbraw/zinc/01/71/10/1131017110.db2.gz NYNIXVBICHDBKD-MRVPVSSYSA-N 0 1 274.227 3.661 20 0 CHADMN COc1cc(CN2CC[C@H](C)C[C@@H]2C)c(F)cc1F ZINC001236836368 1131018296 /nfs/dbraw/zinc/01/82/96/1131018296.db2.gz ZXUWWPUAQCABTD-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN CCCO[C@@H]1CCN(Cc2cccc(C)c2Cl)C1 ZINC001236854381 1131023767 /nfs/dbraw/zinc/02/37/67/1131023767.db2.gz QYUOHYTVJYPXIR-CQSZACIVSA-N 0 1 267.800 3.649 20 0 CHADMN CN(Cc1ccccn1)Cc1ccc(F)c2ccoc21 ZINC001236889713 1131026429 /nfs/dbraw/zinc/02/64/29/1131026429.db2.gz FBQJOQSKUFQAGC-UHFFFAOYSA-N 0 1 270.307 3.599 20 0 CHADMN C[C@@H]1CCCCN1c1cccc(NCOc2ccccc2)n1 ZINC001170805092 1131029028 /nfs/dbraw/zinc/02/90/28/1131029028.db2.gz WZAGRDBXZBZDFJ-OAHLLOKOSA-N 0 1 297.402 3.909 20 0 CHADMN CCN(Cc1ccc(-n2ccnc2)cc1Cl)C1CC1 ZINC001236913769 1131030866 /nfs/dbraw/zinc/03/08/66/1131030866.db2.gz MPZWHXZYGVMFAA-UHFFFAOYSA-N 0 1 275.783 3.510 20 0 CHADMN Fc1ccc(CN2CCC[C@H]2c2cnccn2)c2occc21 ZINC001236907131 1131030902 /nfs/dbraw/zinc/03/09/02/1131030902.db2.gz WLMJJNRVBJKTTJ-INIZCTEOSA-N 0 1 297.333 3.699 20 0 CHADMN Fc1ccccc1-c1ccc(CN2CC3(CCC3)C2)cn1 ZINC001236987357 1131032953 /nfs/dbraw/zinc/03/29/53/1131032953.db2.gz KRFDPHUFZSPKLH-UHFFFAOYSA-N 0 1 282.362 3.874 20 0 CHADMN CO[C@@H](C)C1CN(Cc2cncc(-c3ccc(C)cc3)c2)C1 ZINC001236995481 1131034291 /nfs/dbraw/zinc/03/42/91/1131034291.db2.gz CAYSPMRAWXEBCH-HNNXBMFYSA-N 0 1 296.414 3.524 20 0 CHADMN Cc1ccc(-c2cncc(CN3CC(C)C3)c2)cc1 ZINC001236991623 1131034994 /nfs/dbraw/zinc/03/49/94/1131034994.db2.gz RDRWTWLALSTFHX-UHFFFAOYSA-N 0 1 252.361 3.509 20 0 CHADMN CC(C)(C)Oc1ccccc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001237022682 1131037098 /nfs/dbraw/zinc/03/70/98/1131037098.db2.gz LBPNUDJZPFVHLS-SOUVJXGZSA-N 0 1 277.383 3.654 20 0 CHADMN CC(=O)[C@H]1CCCN(Cc2ccccc2OC(C)(C)C)C1 ZINC001237031274 1131038085 /nfs/dbraw/zinc/03/80/85/1131038085.db2.gz KMZBDJNIMXDHRO-HNNXBMFYSA-N 0 1 289.419 3.665 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cc(O)cc3ccccc32)C1 ZINC001237066549 1131044967 /nfs/dbraw/zinc/04/49/67/1131044967.db2.gz UTYUYQAEQXVBBS-QGZVFWFLSA-N 0 1 273.351 3.869 20 0 CHADMN C[C@H]1CN(Cc2ccc(C3CCC3)cc2)CCCC1=O ZINC001237104576 1131050604 /nfs/dbraw/zinc/05/06/04/1131050604.db2.gz KKLPOJOQDBOUSU-AWEZNQCLSA-N 0 1 271.404 3.755 20 0 CHADMN CN(Cc1sc(=O)[nH]c1Cl)[C@@H]1CCc2ccccc21 ZINC001237154983 1131059943 /nfs/dbraw/zinc/05/99/43/1131059943.db2.gz OACNHQBXBFOTKZ-LLVKDONJSA-N 0 1 294.807 3.621 20 0 CHADMN CN(C)Cc1ccc(N[C@H]2CCCc3cccnc32)cc1F ZINC000798932388 1131061441 /nfs/dbraw/zinc/06/14/41/1131061441.db2.gz LEJGWBCCASIVGP-KRWDZBQOSA-N 0 1 299.393 3.772 20 0 CHADMN Cc1c(CN2CCCCC23CC3)ccc(F)c1F ZINC001237161454 1131062568 /nfs/dbraw/zinc/06/25/68/1131062568.db2.gz KBYVDAPDCFJISS-UHFFFAOYSA-N 0 1 251.320 3.792 20 0 CHADMN CCCCCN(C)Cc1cccc(OC)c1Cl ZINC001237185103 1131065740 /nfs/dbraw/zinc/06/57/40/1131065740.db2.gz JTXRMABLCNALQZ-UHFFFAOYSA-N 0 1 255.789 3.971 20 0 CHADMN CN(Cc1cncs1)Cc1ccc2cccccc1-2 ZINC001237186050 1131065884 /nfs/dbraw/zinc/06/58/84/1131065884.db2.gz VWULAQXPHXHGNW-UHFFFAOYSA-N 0 1 268.385 3.880 20 0 CHADMN COc1cccc(CN2CCCCC23CC3)c1Cl ZINC001237193327 1131068131 /nfs/dbraw/zinc/06/81/31/1131068131.db2.gz JUKQLSJPPKWNNX-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN Clc1cccc(CN2CCNC3=CCCC[C@H]32)c1Cl ZINC001237217495 1131069749 /nfs/dbraw/zinc/06/97/49/1131069749.db2.gz AMNFPUVYMSXYDA-CQSZACIVSA-N 0 1 297.229 3.835 20 0 CHADMN Cc1c(Cl)ccc(CN2CCNC3=CCCC[C@H]32)c1F ZINC001237231238 1131073492 /nfs/dbraw/zinc/07/34/92/1131073492.db2.gz WNLXYIQFLZXHGT-OAHLLOKOSA-N 0 1 294.801 3.629 20 0 CHADMN Clc1ccnc2ccc(CN3CC4(CCC4)C3)cc12 ZINC001237264082 1131073838 /nfs/dbraw/zinc/07/38/38/1131073838.db2.gz KOUQCMUWZDDXTB-UHFFFAOYSA-N 0 1 272.779 3.874 20 0 CHADMN C[C@H]1CN(Cc2ccccc2CCc2ccccc2)CCO1 ZINC001237298789 1131079916 /nfs/dbraw/zinc/07/99/16/1131079916.db2.gz QDZKVRLCIBGUCQ-KRWDZBQOSA-N 0 1 295.426 3.693 20 0 CHADMN CCc1cccc(C)c1CN1CC[C@@](C)(F)[C@@H](F)C1 ZINC001237324607 1131082419 /nfs/dbraw/zinc/08/24/19/1131082419.db2.gz OZNIWVANLJKRHW-JKSUJKDBSA-N 0 1 267.363 3.829 20 0 CHADMN CCc1cccc(C)c1CN1CCn2cccc2[C@H]1C ZINC001237329713 1131085153 /nfs/dbraw/zinc/08/51/53/1131085153.db2.gz LXFQZIDWCLIEBN-OAHLLOKOSA-N 0 1 268.404 3.936 20 0 CHADMN Cc1ccc(F)c(CN2CCCC23CC3)c1Cl ZINC001138022967 1131092679 /nfs/dbraw/zinc/09/26/79/1131092679.db2.gz UCRXRHMZJVZVTP-UHFFFAOYSA-N 0 1 253.748 3.916 20 0 CHADMN CCCC1CCN(Cc2n[nH]c3cc(OC)ccc32)CC1 ZINC001237387612 1131094672 /nfs/dbraw/zinc/09/46/72/1131094672.db2.gz GQKWUDVSBABVNT-UHFFFAOYSA-N 0 1 287.407 3.584 20 0 CHADMN c1c(CN2CCC[C@H](c3ccccc3)C2)nn2ccccc12 ZINC001237444702 1131098775 /nfs/dbraw/zinc/09/87/75/1131098775.db2.gz ZPCXKBFXTCGVJK-KRWDZBQOSA-N 0 1 291.398 3.714 20 0 CHADMN Cc1cccc(F)c1CN[C@H](C)c1cccc(O)c1 ZINC000799718467 1131103504 /nfs/dbraw/zinc/10/35/04/1131103504.db2.gz BRIKBBKOFMDLJK-GFCCVEGCSA-N 0 1 259.324 3.691 20 0 CHADMN COc1c(C)cccc1CN1CCC[C@H]1c1cccnc1 ZINC001237502139 1131106465 /nfs/dbraw/zinc/10/64/65/1131106465.db2.gz YUORFSFKCZSAHT-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN COc1c(C)cccc1CN(C)Cc1ccccc1C ZINC001237510805 1131108074 /nfs/dbraw/zinc/10/80/74/1131108074.db2.gz KPHUIIRNZSDTAT-UHFFFAOYSA-N 0 1 269.388 3.944 20 0 CHADMN CC[C@@H]1COCCN1Cc1cccc2c(F)cccc12 ZINC001237518670 1131109500 /nfs/dbraw/zinc/10/95/00/1131109500.db2.gz NHDKNIPNCZGNAK-CQSZACIVSA-N 0 1 273.351 3.590 20 0 CHADMN C[C@H]1CCC[N@H+](Cc2cc(Cl)nc(Cl)c2[O-])CC1 ZINC001237517940 1131109627 /nfs/dbraw/zinc/10/96/27/1131109627.db2.gz GGPMNMORRJUJSZ-VIFPVBQESA-N 0 1 289.206 3.716 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cc(Cl)nc(Cl)c2[O-])CC1 ZINC001237517940 1131109634 /nfs/dbraw/zinc/10/96/34/1131109634.db2.gz GGPMNMORRJUJSZ-VIFPVBQESA-N 0 1 289.206 3.716 20 0 CHADMN COc1ccc(OC)c(CN2CCCCC[C@@H]2C)c1F ZINC001237572371 1131115706 /nfs/dbraw/zinc/11/57/06/1131115706.db2.gz RJBNMWNMVCLGGZ-LBPRGKRZSA-N 0 1 281.371 3.607 20 0 CHADMN CCn1cncc1CN(Cc1ccccn1)C1CCCCC1 ZINC001237597023 1131117079 /nfs/dbraw/zinc/11/70/79/1131117079.db2.gz LUKQOZKPSGUMQI-UHFFFAOYSA-N 0 1 298.434 3.633 20 0 CHADMN Cc1cc(Cl)nc(CNc2cc[nH+]c3c([O-])cccc23)c1 ZINC000799965209 1131117543 /nfs/dbraw/zinc/11/75/43/1131117543.db2.gz AXPJOIWFZVXNKC-UHFFFAOYSA-N 0 1 299.761 3.909 20 0 CHADMN COC[C@@H]1CCN1Cc1ccc(SC(F)(F)F)cc1 ZINC000816637054 1131118152 /nfs/dbraw/zinc/11/81/52/1131118152.db2.gz PPVPAXUXPZRGIF-NSHDSACASA-N 0 1 291.338 3.519 20 0 CHADMN C[C@H]1CN(Cc2ccc(OC(F)F)c(Cl)c2)[C@H]1C ZINC000816648226 1131118795 /nfs/dbraw/zinc/11/87/95/1131118795.db2.gz HASGCEYLTTZFMN-IUCAKERBSA-N 0 1 275.726 3.782 20 0 CHADMN CCCCOc1cc(CN2C[C@@H](C)[C@@H]2C)ccc1OC ZINC000816646859 1131119177 /nfs/dbraw/zinc/11/91/77/1131119177.db2.gz JTFQSBMQGUXKIB-KGLIPLIRSA-N 0 1 277.408 3.714 20 0 CHADMN C[C@@H]1CN(Cc2ccc(N(C)c3ccccc3)nc2)[C@H]1C ZINC000816646886 1131119276 /nfs/dbraw/zinc/11/92/76/1131119276.db2.gz KENKKWJHZBRJDJ-CABCVRRESA-N 0 1 281.403 3.690 20 0 CHADMN CC(C)[C@@H]1C[C@@H](NCc2c(F)cc(F)cc2F)CS1 ZINC000816651013 1131120944 /nfs/dbraw/zinc/12/09/44/1131120944.db2.gz ONQZCSJJDTXVOJ-YGRLFVJLSA-N 0 1 289.366 3.724 20 0 CHADMN CCCOC1CCN(Cc2ccc(OCC)cc2F)CC1 ZINC001237635946 1131121934 /nfs/dbraw/zinc/12/19/34/1131121934.db2.gz XGMWEUKSTRAWGO-UHFFFAOYSA-N 0 1 295.398 3.615 20 0 CHADMN CC[C@H](C)[C@@H](C)N(C(=O)c1cnc(C(C)C)[nH]1)C1CC1 ZINC001116117179 1131128467 /nfs/dbraw/zinc/12/84/67/1131128467.db2.gz DQTDWOMEDWKRHN-NWDGAFQWSA-N 0 1 277.412 3.572 20 0 CHADMN CCCc1ccc(NC(=O)[C@H]2C[C@H](C)Cc3cn[nH]c32)cc1 ZINC000816833207 1131128588 /nfs/dbraw/zinc/12/85/88/1131128588.db2.gz ARJCOVIQJJEUSG-WBMJQRKESA-N 0 1 297.402 3.667 20 0 CHADMN CO[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2Cl)[C@@H](C)C1 ZINC001237706462 1131131063 /nfs/dbraw/zinc/13/10/63/1131131063.db2.gz VPIVCOQPKLKFAU-DZGCQCFKSA-N 0 1 281.827 3.956 20 0 CHADMN CCOc1ccc(Nc2cccc3[nH]ncc32)c(OC)c1 ZINC001159574947 1131134187 /nfs/dbraw/zinc/13/41/87/1131134187.db2.gz QZIGPCVAPYNYSW-UHFFFAOYSA-N 0 1 283.331 3.714 20 0 CHADMN CC[C@@H](C)CONC(=O)[C@H](c1ccccc1)C(C)C ZINC000816980154 1131134997 /nfs/dbraw/zinc/13/49/97/1131134997.db2.gz GINCLHAXTMWBKI-HIFRSBDPSA-N 0 1 263.381 3.520 20 0 CHADMN CC[C@@H](C)CONC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC000816980450 1131135497 /nfs/dbraw/zinc/13/54/97/1131135497.db2.gz LJQNKLYFHBFMCB-IUODEOHRSA-N 0 1 281.371 3.659 20 0 CHADMN CCc1cc(CN2CC[C@H]3CCCO[C@H]3C2)ccc1Cl ZINC001237737457 1131135680 /nfs/dbraw/zinc/13/56/80/1131135680.db2.gz YMASALBCEVTQQO-WBVHZDCISA-N 0 1 293.838 3.903 20 0 CHADMN CC[C@H](C)CONC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC000816980451 1131135863 /nfs/dbraw/zinc/13/58/63/1131135863.db2.gz LJQNKLYFHBFMCB-SWLSCSKDSA-N 0 1 281.371 3.659 20 0 CHADMN CCc1cc(CN2CCCO[C@H](C)C2)ccc1Cl ZINC001237738450 1131136129 /nfs/dbraw/zinc/13/61/29/1131136129.db2.gz KBTCPNZGDWLVSS-GFCCVEGCSA-N 0 1 267.800 3.513 20 0 CHADMN Cc1ccc([C@H](C)C(=O)Nc2nc3ccc(C)cc3[nH]2)o1 ZINC000817017231 1131136444 /nfs/dbraw/zinc/13/64/44/1131136444.db2.gz FTQIKQXVHGUMCN-NSHDSACASA-N 0 1 283.331 3.515 20 0 CHADMN CC=C(C=CC(=O)Nc1nc2ccc(C)cc2[nH]1)CC ZINC000817018141 1131136664 /nfs/dbraw/zinc/13/66/64/1131136664.db2.gz QBBFEYKUAXLBIO-ZMYUOXORSA-N 0 1 269.348 3.722 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1cccc2c1OCC2 ZINC001237750105 1131137233 /nfs/dbraw/zinc/13/72/33/1131137233.db2.gz XKARCGSBVJQHIO-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN Nc1ccc(F)cc1Nc1cc(Cl)cc2[nH]ncc21 ZINC001159590927 1131138191 /nfs/dbraw/zinc/13/81/91/1131138191.db2.gz ZXBZBTBDDAFRCQ-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN COc1cccc(CN2CCC[C@@H](C)C2)c1Br ZINC001237862425 1131145340 /nfs/dbraw/zinc/14/53/40/1131145340.db2.gz JXBPEKZIFGOKIB-LLVKDONJSA-N 0 1 298.224 3.690 20 0 CHADMN CCOCc1cc(C[N@H+]2CC(C)(C)C2(C)C)ccc1OC ZINC001116445350 1131146310 /nfs/dbraw/zinc/14/63/10/1131146310.db2.gz QYUGNGGFGYKMNV-UHFFFAOYSA-N 0 1 291.435 3.852 20 0 CHADMN COc1ccoc1C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001237874885 1131146501 /nfs/dbraw/zinc/14/65/01/1131146501.db2.gz PHDKFXWUZMEHEQ-CYBMUJFWSA-N 0 1 291.778 3.931 20 0 CHADMN COc1ccoc1CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001237874885 1131146505 /nfs/dbraw/zinc/14/65/05/1131146505.db2.gz PHDKFXWUZMEHEQ-CYBMUJFWSA-N 0 1 291.778 3.931 20 0 CHADMN CCCN(Cc1occc1OC)Cc1ccccc1 ZINC001237871885 1131146778 /nfs/dbraw/zinc/14/67/78/1131146778.db2.gz NXZVFNYJUZNANF-UHFFFAOYSA-N 0 1 259.349 3.700 20 0 CHADMN COc1ccoc1C[N@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC001237874879 1131147769 /nfs/dbraw/zinc/14/77/69/1131147769.db2.gz PDKSRXVSZPZHJF-HNNXBMFYSA-N 0 1 287.359 3.634 20 0 CHADMN COc1ccoc1CN1CCC[C@H]1c1cccc(OC)c1 ZINC001237874879 1131147774 /nfs/dbraw/zinc/14/77/74/1131147774.db2.gz PDKSRXVSZPZHJF-HNNXBMFYSA-N 0 1 287.359 3.634 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1ccccc1C1CCOCC1 ZINC001237897780 1131149325 /nfs/dbraw/zinc/14/93/25/1131149325.db2.gz HMISQTNDWANGQS-CZUORRHYSA-N 0 1 277.383 3.513 20 0 CHADMN CCCOc1cc(F)ccc1CN1CCCC[C@H]1C ZINC001237904108 1131149664 /nfs/dbraw/zinc/14/96/64/1131149664.db2.gz WQFJYDWTLXPSLY-CYBMUJFWSA-N 0 1 265.372 3.989 20 0 CHADMN CC[C@@H]1CN(Cc2cncc3ccccc32)C[C@@H](CC)O1 ZINC000817280674 1131150735 /nfs/dbraw/zinc/15/07/35/1131150735.db2.gz JZHXNFWRLWZTCW-IAGOWNOFSA-N 0 1 284.403 3.624 20 0 CHADMN CCOc1cc(F)cc(CN2CCC[C@@H](C(F)F)C2)c1 ZINC001237916880 1131152103 /nfs/dbraw/zinc/15/21/03/1131152103.db2.gz KHQFCGVDDVCCMB-GFCCVEGCSA-N 0 1 287.325 3.702 20 0 CHADMN CC[C@](N)(CO)Nc1ccc(/C=C/c2ccc(C)cc2)cc1 ZINC001170861353 1131153246 /nfs/dbraw/zinc/15/32/46/1131153246.db2.gz AAPYBJSQURNXAC-CSHXORCISA-N 0 1 296.414 3.635 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2csc(-c3cccc(F)c3)n2)C1 ZINC001237967725 1131156852 /nfs/dbraw/zinc/15/68/52/1131156852.db2.gz GUETVWVFKARKNR-NSHDSACASA-N 0 1 276.380 3.791 20 0 CHADMN C[C@H]1CCN(Cc2csc(-c3cccc(F)c3)n2)C1 ZINC001237967725 1131156855 /nfs/dbraw/zinc/15/68/55/1131156855.db2.gz GUETVWVFKARKNR-NSHDSACASA-N 0 1 276.380 3.791 20 0 CHADMN Cc1sccc1C[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001237969949 1131156881 /nfs/dbraw/zinc/15/68/81/1131156881.db2.gz CVONRWWJMDZLGD-INIZCTEOSA-N 0 1 291.391 3.849 20 0 CHADMN Cc1sccc1C[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001237970659 1131156946 /nfs/dbraw/zinc/15/69/46/1131156946.db2.gz KMNTYEPMISTFIU-QGZVFWFLSA-N 0 1 287.428 3.848 20 0 CHADMN Cc1sccc1CN1CC[C@@H]1COCc1ccccc1 ZINC001237970659 1131156948 /nfs/dbraw/zinc/15/69/48/1131156948.db2.gz KMNTYEPMISTFIU-QGZVFWFLSA-N 0 1 287.428 3.848 20 0 CHADMN CSc1cnc(F)c(-c2cccc3nc(C)[nH]c32)c1 ZINC001245761340 1131158002 /nfs/dbraw/zinc/15/80/02/1131158002.db2.gz AYVNFSWFYYQEQI-UHFFFAOYSA-N 0 1 273.336 3.794 20 0 CHADMN CC(C)c1ocnc1COC(=O)c1ccc(O)c(Cl)c1 ZINC001116617118 1131158269 /nfs/dbraw/zinc/15/82/69/1131158269.db2.gz WBHDEMKQRSRHFP-UHFFFAOYSA-N 0 1 295.722 3.514 20 0 CHADMN C[N@H+](Cc1cc(F)c([O-])c(Cl)c1)C[C@H]1CC1(C)C ZINC001237996926 1131159416 /nfs/dbraw/zinc/15/94/16/1131159416.db2.gz KDGKFRIOMHYIME-SNVBAGLBSA-N 0 1 271.763 3.663 20 0 CHADMN Clc1ccc2c(c1)[nH]nc2CN1Cc2ccccc2C1 ZINC001237994192 1131159910 /nfs/dbraw/zinc/15/99/10/1131159910.db2.gz SEFZDSIMXCPAJM-UHFFFAOYSA-N 0 1 283.762 3.732 20 0 CHADMN CCN(Cc1cc(F)c(O)c(Cl)c1)CC(F)(F)F ZINC001237998267 1131160033 /nfs/dbraw/zinc/16/00/33/1131160033.db2.gz SRONQRFKEICTNB-UHFFFAOYSA-N 0 1 285.668 3.569 20 0 CHADMN Oc1c(F)cc(CN2CC(c3ccccc3)C2)cc1Cl ZINC001237998596 1131160039 /nfs/dbraw/zinc/16/00/39/1131160039.db2.gz VFMWENRMAXTQBQ-UHFFFAOYSA-N 0 1 291.753 3.784 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cc(F)c([O-])c(Cl)c2)C2(CC2)C1 ZINC001237994018 1131160617 /nfs/dbraw/zinc/16/06/17/1131160617.db2.gz YZJBIYPAAIXVPR-VIFPVBQESA-N 0 1 269.747 3.559 20 0 CHADMN Clc1ccc2c(c1)n[nH]c2CN1CCCCC12CC2 ZINC001238005534 1131161474 /nfs/dbraw/zinc/16/14/74/1131161474.db2.gz VJQPLWNVQYCBIJ-UHFFFAOYSA-N 0 1 275.783 3.735 20 0 CHADMN CN(CCc1cccs1)Cc1cnc(F)cc1Cl ZINC001238026152 1131163168 /nfs/dbraw/zinc/16/31/68/1131163168.db2.gz POQFPRIQRGVFGY-UHFFFAOYSA-N 0 1 284.787 3.610 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC[C@@](C)(O)[C@H](C)C2)c1F ZINC001138030334 1131163303 /nfs/dbraw/zinc/16/33/03/1131163303.db2.gz BBXDWUZQAIDIIX-MLGOLLRUSA-N 0 1 299.817 3.770 20 0 CHADMN Cc1ccc(Cl)c(CN2CCCC[C@](C)(O)C2)c1F ZINC001138030316 1131163664 /nfs/dbraw/zinc/16/36/64/1131163664.db2.gz AFJFPOFFTPVCLF-HNNXBMFYSA-N 0 1 285.790 3.524 20 0 CHADMN CCCN(Cc1scnc1Br)CC(C)C ZINC001238039830 1131164161 /nfs/dbraw/zinc/16/41/61/1131164161.db2.gz NQBAPLNNHAQTRV-UHFFFAOYSA-N 0 1 291.258 3.774 20 0 CHADMN CCN(CC)Cc1ccc(F)c(Br)c1F ZINC001238081002 1131167618 /nfs/dbraw/zinc/16/76/18/1131167618.db2.gz KZEHIGHRLGIICE-UHFFFAOYSA-N 0 1 278.140 3.569 20 0 CHADMN COC1(C)CCN(Cc2c(Cl)ccc(C)c2F)CC1 ZINC001138030859 1131167715 /nfs/dbraw/zinc/16/77/15/1131167715.db2.gz VDPDEPTUGDQQJY-UHFFFAOYSA-N 0 1 285.790 3.788 20 0 CHADMN C[N@@H+](Cc1cc(F)cc(Br)c1F)C(C)(C)C ZINC001238073726 1131167764 /nfs/dbraw/zinc/16/77/64/1131167764.db2.gz CSWNKWCOQNYHKW-UHFFFAOYSA-N 0 1 292.167 3.958 20 0 CHADMN CN(Cc1cc(F)cc(Br)c1F)C(C)(C)C ZINC001238073726 1131167766 /nfs/dbraw/zinc/16/77/66/1131167766.db2.gz CSWNKWCOQNYHKW-UHFFFAOYSA-N 0 1 292.167 3.958 20 0 CHADMN CCOc1cc(C[N@H+]2CCC[C@H]2c2cnccn2)ccc1C ZINC001238071830 1131168178 /nfs/dbraw/zinc/16/81/78/1131168178.db2.gz NBYZMONTAVSODO-KRWDZBQOSA-N 0 1 297.402 3.521 20 0 CHADMN CCOc1cc(CN2CCC[C@H]2c2cnccn2)ccc1C ZINC001238071830 1131168181 /nfs/dbraw/zinc/16/81/81/1131168181.db2.gz NBYZMONTAVSODO-KRWDZBQOSA-N 0 1 297.402 3.521 20 0 CHADMN Cc1ncc(C2CC2)cc1Nc1ccc2c[nH]nc2c1 ZINC001159662903 1131169796 /nfs/dbraw/zinc/16/97/96/1131169796.db2.gz KMBRUXSMNLPWCY-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN c1cn(C2CC2)c(NCc2cccc(C3CC3)c2)n1 ZINC000817573778 1131171819 /nfs/dbraw/zinc/17/18/19/1131171819.db2.gz QYLLPYOBGSHNIO-UHFFFAOYSA-N 0 1 253.349 3.708 20 0 CHADMN Cc1ccc(O)cc1CN1CC[C@@H]1c1ccccc1 ZINC001238107563 1131173201 /nfs/dbraw/zinc/17/32/01/1131173201.db2.gz SBADQICLCZCDFW-QGZVFWFLSA-N 0 1 253.345 3.648 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(Cl)nc2)cc(C)n1 ZINC000817588792 1131173892 /nfs/dbraw/zinc/17/38/92/1131173892.db2.gz KGAOSXYIAVBFAO-LBPRGKRZSA-N 0 1 275.783 3.598 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001238135001 1131174528 /nfs/dbraw/zinc/17/45/28/1131174528.db2.gz CEKPSFIFKODTCA-GFCCVEGCSA-N 0 1 297.345 3.560 20 0 CHADMN C[C@H](OC(=O)[C@@H]1CC12CC2)c1nc2ccc(Cl)cc2[nH]1 ZINC000817716976 1131180307 /nfs/dbraw/zinc/18/03/07/1131180307.db2.gz SXMPMWAMBXTMQL-WPRPVWTQSA-N 0 1 290.750 3.621 20 0 CHADMN CO[C@H](C)C1CN(Cc2ccc(Cl)c(C(C)C)c2)C1 ZINC001238226647 1131184996 /nfs/dbraw/zinc/18/49/96/1131184996.db2.gz XWWQJNVJLKUWJR-GFCCVEGCSA-N 0 1 281.827 3.930 20 0 CHADMN CC1(C)CN(Cc2ccc(O)c(OCc3ccccc3)c2)C1 ZINC001238255316 1131187118 /nfs/dbraw/zinc/18/71/18/1131187118.db2.gz SSNIVAPPEXFKGZ-UHFFFAOYSA-N 0 1 297.398 3.813 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CCC[C@H]2C[C@H]21 ZINC001238325918 1131191298 /nfs/dbraw/zinc/19/12/98/1131191298.db2.gz ZMYGMRVWCNVKDU-SWLSCSKDSA-N 0 1 263.356 3.597 20 0 CHADMN CN(Cc1cccc(F)c1OCc1ccccc1)C1CC1 ZINC001238334261 1131191472 /nfs/dbraw/zinc/19/14/72/1131191472.db2.gz WSIUCCFKZFLONI-UHFFFAOYSA-N 0 1 285.362 3.999 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CCCCC1 ZINC001238327262 1131191602 /nfs/dbraw/zinc/19/16/02/1131191602.db2.gz BQOZHMQELHHYLB-UHFFFAOYSA-N 0 1 251.345 3.599 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CCC[C@H](C)C1 ZINC001238331582 1131191780 /nfs/dbraw/zinc/19/17/80/1131191780.db2.gz HYGOLBFVBPJRRQ-ZDUSSCGKSA-N 0 1 265.372 3.845 20 0 CHADMN COc1ccc(CN2CCC3(CCCC3)CC2)c(F)c1O ZINC001238359461 1131192783 /nfs/dbraw/zinc/19/27/83/1131192783.db2.gz XHUXMBXUWRUMSU-UHFFFAOYSA-N 0 1 293.382 3.696 20 0 CHADMN Cc1cc(CN2CC3(C2)CCCC3)cnc1OC(C)C ZINC001238375185 1131194372 /nfs/dbraw/zinc/19/43/72/1131194372.db2.gz JFBREHKLJMKMKG-UHFFFAOYSA-N 0 1 274.408 3.553 20 0 CHADMN CC(C)Oc1ncccc1CNCc1cccc2ccoc21 ZINC001117750179 1131196057 /nfs/dbraw/zinc/19/60/57/1131196057.db2.gz CBIRTBRJBNJWCJ-UHFFFAOYSA-N 0 1 296.370 3.905 20 0 CHADMN CC(C)c1ncc(C(=O)N2CCC[C@H](c3ccccc3)C2)[nH]1 ZINC001117762210 1131197096 /nfs/dbraw/zinc/19/70/96/1131197096.db2.gz QHOGFIWTTKAVFK-HNNXBMFYSA-N 0 1 297.402 3.553 20 0 CHADMN Cc1cc(CN2[C@H](C)CCC[C@H]2C)ncc1Cl ZINC001238426857 1131198317 /nfs/dbraw/zinc/19/83/17/1131198317.db2.gz MALQRQDHYRIPRD-VXGBXAGGSA-N 0 1 252.789 3.806 20 0 CHADMN CCOC1CCN(Cc2cccc(OC(C)C)c2F)CC1 ZINC001238426055 1131198371 /nfs/dbraw/zinc/19/83/71/1131198371.db2.gz DKZNNMGNTFCMQM-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN CC(C)Oc1cc(CN2CCC[C@H]3C[C@H]32)ccc1F ZINC001238465666 1131203524 /nfs/dbraw/zinc/20/35/24/1131203524.db2.gz WHIBRYHNSPEMKA-DZGCQCFKSA-N 0 1 263.356 3.597 20 0 CHADMN CC(C)Oc1cncc(CN2CC[C@H](C)C(F)(F)CC2)c1 ZINC001238462557 1131204578 /nfs/dbraw/zinc/20/45/78/1131204578.db2.gz PGMYTLYYSIJXSS-ZDUSSCGKSA-N 0 1 298.377 3.736 20 0 CHADMN CCCC1CCN(Cc2cncc(OC(C)C)c2)CC1 ZINC001238467490 1131206391 /nfs/dbraw/zinc/20/63/91/1131206391.db2.gz TUHKOPLJZAQIGA-UHFFFAOYSA-N 0 1 276.424 3.881 20 0 CHADMN COc1c(CN2CCCCCCC2)ccc(F)c1F ZINC001238474592 1131206597 /nfs/dbraw/zinc/20/65/97/1131206597.db2.gz ZTFLFLSQJIZESJ-UHFFFAOYSA-N 0 1 269.335 3.740 20 0 CHADMN COc1cnc(CN2CCC[C@H]3CCC[C@@H]32)c(Cl)c1 ZINC001238486862 1131207125 /nfs/dbraw/zinc/20/71/25/1131207125.db2.gz GUJZYLJDTYFQDB-ABAIWWIYSA-N 0 1 280.799 3.508 20 0 CHADMN COc1cnc(CN(C)C2CCCCC2)c(Cl)c1 ZINC001238483882 1131207550 /nfs/dbraw/zinc/20/75/50/1131207550.db2.gz XMJJFKXBOURYEV-UHFFFAOYSA-N 0 1 268.788 3.508 20 0 CHADMN Fc1ccc(C[N@H+]2CC[C@@]3(C2)CCCCO3)cc1C1CC1 ZINC001238499674 1131210263 /nfs/dbraw/zinc/21/02/63/1131210263.db2.gz VNYQZWIXXCFREI-GOSISDBHSA-N 0 1 289.394 3.848 20 0 CHADMN COCC1CCN(Cc2ccc(Cl)c(C)c2F)CC1 ZINC001238511905 1131210578 /nfs/dbraw/zinc/21/05/78/1131210578.db2.gz IZBWBOHATXYYGA-UHFFFAOYSA-N 0 1 285.790 3.646 20 0 CHADMN Cc1c(Cl)ccc(CN2C[C@@H]3CCCC(=O)[C@@H]3C2)c1F ZINC001238521614 1131213217 /nfs/dbraw/zinc/21/32/17/1131213217.db2.gz LOQAGRVKGLVZPZ-WCQYABFASA-N 0 1 295.785 3.589 20 0 CHADMN CO[C@@H]1CCN(Cc2ccc(Cl)c(C)c2F)[C@H](C)C1 ZINC001238523163 1131214126 /nfs/dbraw/zinc/21/41/26/1131214126.db2.gz SFIQQYHNGUIGCY-ZWNOBZJWSA-N 0 1 285.790 3.787 20 0 CHADMN Nc1ccc(CN2CCC[C@@H]2c2cccc(Cl)c2)cn1 ZINC001118179156 1131214434 /nfs/dbraw/zinc/21/44/34/1131214434.db2.gz LXPDTSCBKLGCOX-OAHLLOKOSA-N 0 1 287.794 3.654 20 0 CHADMN Cc1ccc(Cl)c(CN(C)C[C@@H]2CCCCO2)c1 ZINC001238557662 1131215169 /nfs/dbraw/zinc/21/51/69/1131215169.db2.gz RQBBOTGNDZCJKU-AWEZNQCLSA-N 0 1 267.800 3.649 20 0 CHADMN CN(CCF)Cc1ccc(F)c(-c2ccccc2)c1 ZINC001238549624 1131215603 /nfs/dbraw/zinc/21/56/03/1131215603.db2.gz RTASDORQROQUPO-UHFFFAOYSA-N 0 1 261.315 3.894 20 0 CHADMN Cc1ccc(Cl)c(CN2CC(c3cccnc3)C2)c1 ZINC001238568204 1131218020 /nfs/dbraw/zinc/21/80/20/1131218020.db2.gz DEQZZWFVZZTSCB-UHFFFAOYSA-N 0 1 272.779 3.643 20 0 CHADMN CC(C)Oc1cc(CN2CCC[C@@H](C)CC2)cnc1F ZINC001238605487 1131221162 /nfs/dbraw/zinc/22/11/62/1131221162.db2.gz JVPQTTXXLYCHFW-CYBMUJFWSA-N 0 1 280.387 3.630 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2cccnc2)cnc1C1CC1 ZINC001238616395 1131222604 /nfs/dbraw/zinc/22/26/04/1131222604.db2.gz ORDHKNHCJDZZBY-SFHVURJKSA-N 0 1 293.414 4.000 20 0 CHADMN Cc1cnc(-c2ccccc2)c(CN2C[C@H](F)C[C@H]2C)c1 ZINC001238618055 1131223735 /nfs/dbraw/zinc/22/37/35/1131223735.db2.gz GJFODIYSUDROBF-RHSMWYFYSA-N 0 1 284.378 3.989 20 0 CHADMN Cc1cc(CN2CCC(F)(F)[C@@H](C)C2)cnc1C1CC1 ZINC001238622014 1131225067 /nfs/dbraw/zinc/22/50/67/1131225067.db2.gz YJGSPIWLOLEFJJ-LBPRGKRZSA-N 0 1 280.362 3.745 20 0 CHADMN COc1ccc(CN(C)Cc2cnc(C3CC3)c(C)c2)cc1 ZINC001238621801 1131225343 /nfs/dbraw/zinc/22/53/43/1131225343.db2.gz XLPKEAFMTKLYJS-UHFFFAOYSA-N 0 1 296.414 3.908 20 0 CHADMN CCOc1cc(F)c(F)cc1CN1C[C@H](C)CC12CC2 ZINC001238660549 1131227785 /nfs/dbraw/zinc/22/77/85/1131227785.db2.gz LPZDJZVFBXHYKH-LLVKDONJSA-N 0 1 281.346 3.738 20 0 CHADMN Fc1ncc(-c2ccccc2)cc1CN1CCC2(CC2)C1 ZINC001238660527 1131228190 /nfs/dbraw/zinc/22/81/90/1131228190.db2.gz FCEOVHOXIWNDQU-UHFFFAOYSA-N 0 1 282.362 3.874 20 0 CHADMN CSc1cc(C)cc(CN(C)Cc2cccnc2)c1 ZINC001238673976 1131229339 /nfs/dbraw/zinc/22/93/39/1131229339.db2.gz AILLQMWOAUIQTP-UHFFFAOYSA-N 0 1 272.417 3.744 20 0 CHADMN CSc1ccc(Cl)cc1CN1CC[C@@]2(CCCO2)C1 ZINC001238673221 1131229507 /nfs/dbraw/zinc/22/95/07/1131229507.db2.gz WFYBWPMMSFWRSQ-HNNXBMFYSA-N 0 1 297.851 3.817 20 0 CHADMN CSc1ccc(Cl)cc1CN1CC[C@@](C)(O)[C@H](C)C1 ZINC001238673197 1131229851 /nfs/dbraw/zinc/22/98/51/1131229851.db2.gz VIZABGUSNVLSMI-IAQYHMDHSA-N 0 1 299.867 3.655 20 0 CHADMN Cc1ccc2oc(-c3noc([C@@H]4CCCCN4)n3)cc2c1 ZINC000823135915 1131416425 /nfs/dbraw/zinc/41/64/25/1131416425.db2.gz ZXWCYKLCKWHATR-LBPRGKRZSA-N 0 1 283.331 3.606 20 0 CHADMN CCCCN(CCC)Cc1cccnc1Br ZINC001137797747 1131416740 /nfs/dbraw/zinc/41/67/40/1131416740.db2.gz CMVIFYFRISFTHC-UHFFFAOYSA-N 0 1 285.229 3.856 20 0 CHADMN Cc1cccc([C@H](c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)C(C)C)c1 ZINC000823209887 1131418007 /nfs/dbraw/zinc/41/80/07/1131418007.db2.gz KBLBYHQQHOZQBN-LVQVYYBASA-N 0 1 297.402 3.589 20 0 CHADMN Cc1ccc(-c2noc([C@@H]3C[C@@H](C)CCN3)n2)cc1Cl ZINC000823258754 1131419479 /nfs/dbraw/zinc/41/94/79/1131419479.db2.gz HSTJXBSSXKSBGL-ZANVPECISA-N 0 1 291.782 3.759 20 0 CHADMN C[C@@H]1CCCN(Cc2scnc2Cl)C[C@H]1C ZINC001137817417 1131419764 /nfs/dbraw/zinc/41/97/64/1131419764.db2.gz SOIRXELKKKORSV-NXEZZACHSA-N 0 1 258.818 3.665 20 0 CHADMN CCO[C@@H]1C[C@H](NCc2ncc(C(C)C)o2)C12CCCC2 ZINC000829630002 1131426977 /nfs/dbraw/zinc/42/69/77/1131426977.db2.gz YJXPLIZRBMPKTI-LSDHHAIUSA-N 0 1 292.423 3.625 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2ncc(C(C)C)o2)C12CCCC2 ZINC000829629999 1131427241 /nfs/dbraw/zinc/42/72/41/1131427241.db2.gz YJXPLIZRBMPKTI-CABCVRRESA-N 0 1 292.423 3.625 20 0 CHADMN Fc1cc(F)c(F)c(CN2CC3CCC(CC3)C2)c1 ZINC001137875434 1131428248 /nfs/dbraw/zinc/42/82/48/1131428248.db2.gz VZDMHFRJPXVQAE-UHFFFAOYSA-N 0 1 269.310 3.726 20 0 CHADMN Fc1cc(F)c(CN2CC[C@H]3CCC[C@@H]3C2)cc1F ZINC001137886102 1131430061 /nfs/dbraw/zinc/43/00/61/1131430061.db2.gz FAPKUMKQXQFENA-GHMZBOCLSA-N 0 1 269.310 3.726 20 0 CHADMN C[C@@H](NCc1cc(C2CC2)nn1C)c1cccc(Cl)c1 ZINC000823584972 1131432742 /nfs/dbraw/zinc/43/27/42/1131432742.db2.gz PUYJVEKEAWACBH-LLVKDONJSA-N 0 1 289.810 3.802 20 0 CHADMN C[C@H](NCc1cc(C2CC2)nn1C)c1cc2ccccc2o1 ZINC000823609349 1131433716 /nfs/dbraw/zinc/43/37/16/1131433716.db2.gz UBALQZYSESGVLK-LBPRGKRZSA-N 0 1 295.386 3.895 20 0 CHADMN Fc1cc(CN[C@@H](c2cccs2)C2CC2)c(F)cn1 ZINC000823613830 1131434700 /nfs/dbraw/zinc/43/47/00/1131434700.db2.gz JEEGFRSUAKHAAV-CQSZACIVSA-N 0 1 280.343 3.662 20 0 CHADMN Cc1cccc(C2(NCc3cnc(Cl)cn3)CCC2)c1 ZINC000829878945 1131438063 /nfs/dbraw/zinc/43/80/63/1131438063.db2.gz GHHGREMHNZVQGF-UHFFFAOYSA-N 0 1 287.794 3.607 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2ccc(F)c(F)c2F)C1 ZINC001137940433 1131438745 /nfs/dbraw/zinc/43/87/45/1131438745.db2.gz XLSSTJBMXAVCLO-NXEZZACHSA-N 0 1 257.299 3.582 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3cccc(Cl)c3F)C[C@@H]21 ZINC001137962706 1131442420 /nfs/dbraw/zinc/44/24/20/1131442420.db2.gz YVLUHOCIGHYWEO-PHIMTYICSA-N 0 1 253.748 3.567 20 0 CHADMN Cc1ccc(CN2C[C@H]3[C@H](CCC3(F)F)C2)c(F)c1F ZINC001137965801 1131443641 /nfs/dbraw/zinc/44/36/41/1131443641.db2.gz CIVOYKUPPHDIIO-PWSUYJOCSA-N 0 1 287.300 3.750 20 0 CHADMN CCCCCc1cc(C(=O)N2CCCC[C@H]2C(C)C)n[nH]1 ZINC001136787780 1131445283 /nfs/dbraw/zinc/44/52/83/1131445283.db2.gz QKRDOUDJIVFITQ-INIZCTEOSA-N 0 1 291.439 3.793 20 0 CHADMN Clc1nc2ccccc2cc1CN1CCC[C@@H]2C[C@@H]21 ZINC001137978614 1131446521 /nfs/dbraw/zinc/44/65/21/1131446521.db2.gz MIIIBTQLBVEXCN-DOMZBBRYSA-N 0 1 272.779 3.873 20 0 CHADMN Clc1cccc2c1CC[C@H](N1CCc3cnccc3C1)C2 ZINC001171038780 1131451088 /nfs/dbraw/zinc/45/10/88/1131451088.db2.gz YUCFWYWYBBTAQE-INIZCTEOSA-N 0 1 298.817 3.651 20 0 CHADMN CN(Cc1cc(Br)c(F)cc1F)CC1CC1 ZINC001136849396 1131462316 /nfs/dbraw/zinc/46/23/16/1131462316.db2.gz JOWQYMOXDHXFGD-UHFFFAOYSA-N 0 1 290.151 3.569 20 0 CHADMN COC[C@H]1CCCCN1Cc1cc2c(cccc2Cl)[nH]1 ZINC001136858365 1131463739 /nfs/dbraw/zinc/46/37/39/1131463739.db2.gz RRCVACIZTSICDM-CYBMUJFWSA-N 0 1 292.810 3.822 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@](C)(F)CC2)c1F ZINC001138114682 1131467939 /nfs/dbraw/zinc/46/79/39/1131467939.db2.gz HCGIWRICWNBUMT-HNNXBMFYSA-N 0 1 271.326 3.987 20 0 CHADMN Clc1cccc([C@H]2CCN(Cc3cnc[nH]3)C2)c1Cl ZINC001136871618 1131469122 /nfs/dbraw/zinc/46/91/22/1131469122.db2.gz XOWJWYOEPQSDBQ-JTQLQIEISA-N 0 1 296.201 3.706 20 0 CHADMN Clc1cc(Cl)c2c(c1)CC[C@H](NCc1ncco1)C2 ZINC001171057839 1131469650 /nfs/dbraw/zinc/46/96/50/1131469650.db2.gz FSEPPRHCGZXIGS-NSHDSACASA-N 0 1 297.185 3.629 20 0 CHADMN c1csc(C2CCN(Cc3cn4ccccc4n3)CC2)c1 ZINC001136880726 1131471552 /nfs/dbraw/zinc/47/15/52/1131471552.db2.gz ALWRUWABMGNPJP-UHFFFAOYSA-N 0 1 297.427 3.775 20 0 CHADMN CN(Cc1cc(O)ccc1Br)C[C@H]1CC1(C)C ZINC001138146991 1131473036 /nfs/dbraw/zinc/47/30/36/1131473036.db2.gz HIHXPLRGHLHDJU-LLVKDONJSA-N 0 1 298.224 3.633 20 0 CHADMN Clc1cc(Cl)c2c(c1)CC[C@@H](NCc1ccon1)C2 ZINC001171059057 1131474670 /nfs/dbraw/zinc/47/46/70/1131474670.db2.gz NOKKKMZOEQLLPQ-LLVKDONJSA-N 0 1 297.185 3.629 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2ccc(N3CCCCC3)o2)C1 ZINC001138172742 1131474700 /nfs/dbraw/zinc/47/47/00/1131474700.db2.gz WZENNOAZEPUNCW-QGZVFWFLSA-N 0 1 294.414 3.984 20 0 CHADMN CC[C@@H](C)N(CC)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000824640861 1131477498 /nfs/dbraw/zinc/47/74/98/1131477498.db2.gz CEKFTWPBNMBTHH-CQSZACIVSA-N 0 1 292.423 3.526 20 0 CHADMN C[C@@]1(C[NH2+]Cc2cccc([O-])c2Cl)CC1(Cl)Cl ZINC000824780321 1131484032 /nfs/dbraw/zinc/48/40/32/1131484032.db2.gz KJKSMQYDAJGVQY-NSHDSACASA-N 0 1 294.609 3.719 20 0 CHADMN C[C@@H]1COCCN1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001138311283 1131489264 /nfs/dbraw/zinc/48/92/64/1131489264.db2.gz YJVMIKNEMFAZHZ-CYBMUJFWSA-N 0 1 286.419 3.686 20 0 CHADMN CCc1cccc2c(CN3CCc4occc4C3)c[nH]c21 ZINC001138362645 1131495405 /nfs/dbraw/zinc/49/54/05/1131495405.db2.gz CJJBOJAFYRDQHL-UHFFFAOYSA-N 0 1 280.371 3.882 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cncc(Cl)c1 ZINC001136996523 1131500935 /nfs/dbraw/zinc/50/09/35/1131500935.db2.gz MVNSDVKSGDTKKQ-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN Cc1ccc2[nH]c(CN3C[C@@H](C)C[C@H]3CF)cc2c1 ZINC001138419599 1131502358 /nfs/dbraw/zinc/50/23/58/1131502358.db2.gz VUVZBEQJJIKZNI-WFASDCNBSA-N 0 1 260.356 3.656 20 0 CHADMN COc1c(F)cc(CN2CC[C@H]3CCC[C@@H]3C2)cc1F ZINC001138422224 1131504190 /nfs/dbraw/zinc/50/41/90/1131504190.db2.gz BGQDFRBBVVKUSP-CHWSQXEVSA-N 0 1 281.346 3.595 20 0 CHADMN COc1c(F)cc(CN2CCC3(CCCC3)C2)cc1F ZINC001138425413 1131504268 /nfs/dbraw/zinc/50/42/68/1131504268.db2.gz RMAIIAJFCOJKGT-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN COc1ccccc1CN(C)Cc1cc(C)c(OC)c(C)c1 ZINC001138430666 1131504878 /nfs/dbraw/zinc/50/48/78/1131504878.db2.gz KQATVVISMPRNRU-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN CCOc1ccc2ccccc2c1CN1CC[C@H](F)C1 ZINC001138440078 1131505893 /nfs/dbraw/zinc/50/58/93/1131505893.db2.gz ONFNAYJDJKVDAA-AWEZNQCLSA-N 0 1 273.351 3.782 20 0 CHADMN FC(F)(F)c1cnc(CN2CCC[C@H]2c2ccccc2)[nH]1 ZINC001137016391 1131505908 /nfs/dbraw/zinc/50/59/08/1131505908.db2.gz VRZXTWHBKOEGBR-LBPRGKRZSA-N 0 1 295.308 3.766 20 0 CHADMN CCOc1ccc2ccccc2c1CN1CC[C@@]12CCOC2 ZINC001138444897 1131506831 /nfs/dbraw/zinc/50/68/31/1131506831.db2.gz MIJZJBBCESJABG-IBGZPJMESA-N 0 1 297.398 3.603 20 0 CHADMN FC(F)(F)c1cnc(CN(Cc2ccccc2)C2CC2)[nH]1 ZINC001137017292 1131508336 /nfs/dbraw/zinc/50/83/36/1131508336.db2.gz CPWFZCMTAZKYGH-UHFFFAOYSA-N 0 1 295.308 3.593 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1ncc(C(F)(F)F)[nH]1 ZINC001137017338 1131508579 /nfs/dbraw/zinc/50/85/79/1131508579.db2.gz FRMWARGKRYAZDH-VMPITWQZSA-N 0 1 295.308 3.574 20 0 CHADMN Cc1c2ccccc2sc1CN1CCc2nn(C)cc2C1 ZINC001138460412 1131508896 /nfs/dbraw/zinc/50/88/96/1131508896.db2.gz LINOWIBIYDHBIN-UHFFFAOYSA-N 0 1 297.427 3.502 20 0 CHADMN COc1ccc(C)cc1CN1CCc2ccc(C)cc2C1 ZINC001138484877 1131511563 /nfs/dbraw/zinc/51/15/63/1131511563.db2.gz AJZPSANKOQGUAW-UHFFFAOYSA-N 0 1 281.399 3.870 20 0 CHADMN CC(C)c1cc([C@H]2CCCN(C(=O)[C@H](C)C(C)C)C2)n[nH]1 ZINC000831904587 1131518890 /nfs/dbraw/zinc/51/88/90/1131518890.db2.gz FMHISLHUFXZJSR-KGLIPLIRSA-N 0 1 291.439 3.531 20 0 CHADMN O=C(/C=C/C1CCCC1)Nc1cccc(-c2cn[nH]c2)c1 ZINC000843843123 1131519429 /nfs/dbraw/zinc/51/94/29/1131519429.db2.gz UHBQEZYVNFZUGB-CMDGGOBGSA-N 0 1 281.359 3.762 20 0 CHADMN O=C(/C=C/C1CCCC1)Nc1cccc(Cl)c1O ZINC000843844057 1131519461 /nfs/dbraw/zinc/51/94/61/1131519461.db2.gz WKCIGWBXYQQUGZ-CMDGGOBGSA-N 0 1 265.740 3.731 20 0 CHADMN COc1cccc2c1CCN(Cc1cc(C)sc1C)C2 ZINC001138569353 1131522842 /nfs/dbraw/zinc/52/28/42/1131522842.db2.gz GQEQAXTXLIXZJA-UHFFFAOYSA-N 0 1 287.428 3.932 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2c[nH]nc2C(C)(C)C)cn1 ZINC001138580010 1131523084 /nfs/dbraw/zinc/52/30/84/1131523084.db2.gz IPFYAYCJOXWETR-INIZCTEOSA-N 0 1 298.434 3.748 20 0 CHADMN COc1ccc(-c2cccc(CN3CCOC[C@@H]3C)c2)cc1 ZINC001138614317 1131526851 /nfs/dbraw/zinc/52/68/51/1131526851.db2.gz WXXFWECOGLIGRH-HNNXBMFYSA-N 0 1 297.398 3.583 20 0 CHADMN Cc1c(F)cc(F)cc1CN(C)Cc1cccs1 ZINC001143764146 1131529576 /nfs/dbraw/zinc/52/95/76/1131529576.db2.gz KRFHGQNRIXFETF-UHFFFAOYSA-N 0 1 267.344 3.967 20 0 CHADMN Cc1c(F)cc(F)cc1CN1CCC2(CC(F)C2)CC1 ZINC001143757677 1131531704 /nfs/dbraw/zinc/53/17/04/1131531704.db2.gz IZKRNRSNKZQQHW-UHFFFAOYSA-N 0 1 283.337 3.987 20 0 CHADMN CCCn1ncc(CN2CC[C@@H]2c2ccccc2)c1C ZINC001138640414 1131532186 /nfs/dbraw/zinc/53/21/86/1131532186.db2.gz PWQJHUSSKYWUHJ-QGZVFWFLSA-N 0 1 269.392 3.549 20 0 CHADMN Fc1ccc(Cl)c(CN(CC2CC2)C2CC2)c1 ZINC001138674976 1131536035 /nfs/dbraw/zinc/53/60/35/1131536035.db2.gz IYKPHHUVBLXZQH-UHFFFAOYSA-N 0 1 253.748 3.854 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1cnc(SC)nc1 ZINC001138706610 1131539551 /nfs/dbraw/zinc/53/95/51/1131539551.db2.gz FFGSROWFVGKHIO-UHFFFAOYSA-N 0 1 287.432 3.529 20 0 CHADMN Cc1cccc(Cl)c1CN1CC[C@@H]2CCCO[C@H]2C1 ZINC001138720808 1131541675 /nfs/dbraw/zinc/54/16/75/1131541675.db2.gz CDNBAWUGKMYYIH-BBRMVZONSA-N 0 1 279.811 3.649 20 0 CHADMN Cc1nnsc1CN1CCC(C2CCCCC2)CC1 ZINC000844277889 1131545477 /nfs/dbraw/zinc/54/54/77/1131545477.db2.gz MXGSOZVNHOTNJD-UHFFFAOYSA-N 0 1 279.453 3.639 20 0 CHADMN CCCCc1ccc(CN2CCSCC2)s1 ZINC001138753262 1131546521 /nfs/dbraw/zinc/54/65/21/1131546521.db2.gz MCHKRWXQSKSOJO-UHFFFAOYSA-N 0 1 255.452 3.640 20 0 CHADMN COc1ccc(Cl)c(CN2CCCC2(C)C)c1F ZINC001143886635 1131548278 /nfs/dbraw/zinc/54/82/78/1131548278.db2.gz ZBMYQXOTXHWBPD-UHFFFAOYSA-N 0 1 271.763 3.862 20 0 CHADMN Fc1ncccc1CN1CCC(c2ccccc2)CC1 ZINC001138785585 1131548280 /nfs/dbraw/zinc/54/82/80/1131548280.db2.gz ABBMYWJROHLJMS-UHFFFAOYSA-N 0 1 270.351 3.600 20 0 CHADMN COc1ccc(CN2CC[C@@H]3CCC[C@@H]3C2)c(F)c1F ZINC001143905097 1131550621 /nfs/dbraw/zinc/55/06/21/1131550621.db2.gz UJHQHGHFTHLRDQ-NWDGAFQWSA-N 0 1 281.346 3.595 20 0 CHADMN c1csc([C@H]2CCCN2Cc2cccc3ccnn32)c1 ZINC001138806463 1131551569 /nfs/dbraw/zinc/55/15/69/1131551569.db2.gz MNZBMVRWORZFDP-OAHLLOKOSA-N 0 1 283.400 3.733 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cccc3ccnn32)cc1 ZINC001138808400 1131551606 /nfs/dbraw/zinc/55/16/06/1131551606.db2.gz UQNNJUIKVOAFKA-CQSZACIVSA-N 0 1 295.386 3.536 20 0 CHADMN CO[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2C)C1 ZINC001143917754 1131553508 /nfs/dbraw/zinc/55/35/08/1131553508.db2.gz OQSJBKJKPVGXMF-CYBMUJFWSA-N 0 1 287.325 3.625 20 0 CHADMN COc1ccc(CN2CCC[C@H]3CCC[C@@H]32)c(F)c1F ZINC001143915117 1131553827 /nfs/dbraw/zinc/55/38/27/1131553827.db2.gz VBJXAMCWZQXTLK-YPMHNXCESA-N 0 1 281.346 3.738 20 0 CHADMN CCC(CC)[N@@H+](C)Cc1ccc(OC)c(F)c1F ZINC001143914770 1131554260 /nfs/dbraw/zinc/55/42/60/1131554260.db2.gz GQLKTOFYJCIYOI-UHFFFAOYSA-N 0 1 257.324 3.594 20 0 CHADMN C[C@H](CSc1ccccc1)N(C)Cc1ccc(F)cn1 ZINC000844362067 1131554981 /nfs/dbraw/zinc/55/49/81/1131554981.db2.gz XEKLABHDAYIJDX-CYBMUJFWSA-N 0 1 290.407 3.833 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc3ccccc3n2)cc1 ZINC001138865662 1131556541 /nfs/dbraw/zinc/55/65/41/1131556541.db2.gz DFVKGIWYZBTCJQ-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN FC(F)Oc1ccccc1CN1CCC[C@H](F)CC1 ZINC001138908305 1131559569 /nfs/dbraw/zinc/55/95/69/1131559569.db2.gz NHDLVIRIPJQCEX-LBPRGKRZSA-N 0 1 273.298 3.612 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@@H](CCc3ccccc3)C2)n1 ZINC001138942526 1131562328 /nfs/dbraw/zinc/56/23/28/1131562328.db2.gz JSFDIEOLCXHSHT-KRWDZBQOSA-N 0 1 283.419 3.563 20 0 CHADMN FC1(F)[C@H]2CN(Cc3c(Cl)ccc4cccnc43)C[C@H]21 ZINC000844454999 1131562652 /nfs/dbraw/zinc/56/26/52/1131562652.db2.gz VHCOVKFOBNGAPV-TXEJJXNPSA-N 0 1 294.732 3.585 20 0 CHADMN CCCCOc1cccc(CN2CCOC[C@@H]2C(C)C)c1 ZINC001138956787 1131564855 /nfs/dbraw/zinc/56/48/55/1131564855.db2.gz RVBCMYLRXBPRRJ-GOSISDBHSA-N 0 1 291.435 3.722 20 0 CHADMN COc1ccc(Cl)c2c1CCC[C@H]2N(C)CCC(C)=O ZINC000844443075 1131566330 /nfs/dbraw/zinc/56/63/30/1131566330.db2.gz INXWSPBMOAVSBK-CQSZACIVSA-N 0 1 295.810 3.637 20 0 CHADMN CCOc1c(F)cc(CN2C[C@@H](C)CC23CC3)cc1F ZINC001144032152 1131570293 /nfs/dbraw/zinc/57/02/93/1131570293.db2.gz KOVDKXNJZIDHFD-NSHDSACASA-N 0 1 281.346 3.738 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CC[C@H](C)C1 ZINC001139006513 1131571454 /nfs/dbraw/zinc/57/14/54/1131571454.db2.gz VKWFZCVXPPNOGU-NSHDSACASA-N 0 1 253.773 3.581 20 0 CHADMN CCOc1c(F)cc(CN2CCC[C@H](C)[C@@H]2C)cc1F ZINC001144026847 1131574234 /nfs/dbraw/zinc/57/42/34/1131574234.db2.gz QWVDXEXYLIYQAY-RYUDHWBXSA-N 0 1 283.362 3.984 20 0 CHADMN CCCn1cc(CN(CC)Cc2ccc(C)c(C)c2)cn1 ZINC001139041772 1131575412 /nfs/dbraw/zinc/57/54/12/1131575412.db2.gz VRTYAEHDVKWOND-UHFFFAOYSA-N 0 1 285.435 3.932 20 0 CHADMN CN(Cc1cscn1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171132760 1131576999 /nfs/dbraw/zinc/57/69/99/1131576999.db2.gz CWUKLJWZBQVHCZ-OAHLLOKOSA-N 0 1 292.835 3.786 20 0 CHADMN COc1cccc2c1CCN(Cc1cc3ccccc3o1)C2 ZINC001139064249 1131578457 /nfs/dbraw/zinc/57/84/57/1131578457.db2.gz WZCYYSOURNKKNW-UHFFFAOYSA-N 0 1 293.366 4.000 20 0 CHADMN CCCC[C@@H](C)C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC000226093332 1131580957 /nfs/dbraw/zinc/58/09/57/1131580957.db2.gz SQISZHDBGZQVLU-SECBINFHSA-N 0 1 279.771 3.981 20 0 CHADMN COc1cc(O)ccc1CN1Cc2ccccc2C(C)(C)C1 ZINC001139143255 1131585374 /nfs/dbraw/zinc/58/53/74/1131585374.db2.gz MDRRKVHINNKCQE-UHFFFAOYSA-N 0 1 297.398 3.694 20 0 CHADMN Clc1cc2c(cc1Cl)C[C@@H](NCc1ccon1)CC2 ZINC001171139950 1131586496 /nfs/dbraw/zinc/58/64/96/1131586496.db2.gz UIVAMTBRFKETJJ-NSHDSACASA-N 0 1 297.185 3.629 20 0 CHADMN CCc1cc(CN(C)Cc2ccncc2)cc(CC)c1O ZINC001144138340 1131589740 /nfs/dbraw/zinc/58/97/40/1131589740.db2.gz UGDXLEYOOGKXCX-UHFFFAOYSA-N 0 1 284.403 3.544 20 0 CHADMN Fc1cc(F)c(CN(CC2CC2)C2CC2)cc1Cl ZINC001144134405 1131589939 /nfs/dbraw/zinc/58/99/39/1131589939.db2.gz MLSAHGLJGPYPEC-UHFFFAOYSA-N 0 1 271.738 3.993 20 0 CHADMN Fc1ccc2c(c1)CC[N@H+](Cc1ccc3cccnc3c1)C2 ZINC001139171513 1131591256 /nfs/dbraw/zinc/59/12/56/1131591256.db2.gz WZGGRMXEMGUKKW-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN Fc1ccc2c(c1)CCN(Cc1ccc3cccnc3c1)C2 ZINC001139171513 1131591258 /nfs/dbraw/zinc/59/12/58/1131591258.db2.gz WZGGRMXEMGUKKW-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN Cc1cccc2[nH]cc(CN3CC[C@](C)(F)[C@H](F)C3)c21 ZINC001139191734 1131593532 /nfs/dbraw/zinc/59/35/32/1131593532.db2.gz BFEWDAPTMPJJNZ-ZBFHGGJFSA-N 0 1 278.346 3.748 20 0 CHADMN Cc1cccc2[nH]cc(CN(C)Cc3cccnc3)c21 ZINC001139191415 1131593988 /nfs/dbraw/zinc/59/39/88/1131593988.db2.gz QKTHQEYDMACWKI-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN Cc1cccc2[nH]cc(CN3CCC(=O)[C@@H]4CCCC[C@H]43)c21 ZINC001139191934 1131594338 /nfs/dbraw/zinc/59/43/38/1131594338.db2.gz GMTYZPHTQZEMEH-NVXWUHKLSA-N 0 1 296.414 3.810 20 0 CHADMN c1ccc2c(c1)CCC[N@H+](Cc1ccc3nsnc3c1)C2 ZINC001139211747 1131597803 /nfs/dbraw/zinc/59/78/03/1131597803.db2.gz LKFAZBWPXPWYKE-UHFFFAOYSA-N 0 1 295.411 3.640 20 0 CHADMN c1ccc2c(c1)CCCN(Cc1ccc3nsnc3c1)C2 ZINC001139211747 1131597806 /nfs/dbraw/zinc/59/78/06/1131597806.db2.gz LKFAZBWPXPWYKE-UHFFFAOYSA-N 0 1 295.411 3.640 20 0 CHADMN COCCN(C)Cc1ccccc1Oc1ccc(F)cc1 ZINC001139298267 1131601019 /nfs/dbraw/zinc/60/10/19/1131601019.db2.gz TUSGAJIXKIMOJD-UHFFFAOYSA-N 0 1 289.350 3.696 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2ccsc2)nc1 ZINC001139498569 1131611877 /nfs/dbraw/zinc/61/18/77/1131611877.db2.gz PFZCTQLTYQDIBT-GASCZTMLSA-N 0 1 298.411 3.506 20 0 CHADMN Cc1cc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)cnc1Cl ZINC001139542814 1131614328 /nfs/dbraw/zinc/61/43/28/1131614328.db2.gz OZQKHXVNWKUWJL-TXEJJXNPSA-N 0 1 286.753 3.521 20 0 CHADMN CC[C@@H]1CCN(Cc2cccc(Br)c2F)C1 ZINC001139535258 1131614514 /nfs/dbraw/zinc/61/45/14/1131614514.db2.gz MSIJRPVGINTCPP-SNVBAGLBSA-N 0 1 286.188 3.820 20 0 CHADMN CN(Cc1cc(Cl)ccn1)[C@@H]1CCc2ccccc21 ZINC001139566990 1131616177 /nfs/dbraw/zinc/61/61/77/1131616177.db2.gz WPOHXAPXWSSNFG-MRXNPFEDSA-N 0 1 272.779 3.854 20 0 CHADMN F[C@@H]1CCC2(C1)CCN(Cc1cc(Cl)ccn1)CC2 ZINC001139566041 1131616795 /nfs/dbraw/zinc/61/67/95/1131616795.db2.gz NQHRWPUMJMAMEQ-CYBMUJFWSA-N 0 1 282.790 3.839 20 0 CHADMN Fc1cccc2nc(CN3CCC[C@@H]4CCCC[C@@H]43)cn21 ZINC001139570596 1131617992 /nfs/dbraw/zinc/61/79/92/1131617992.db2.gz XWMZIMIWUYJTDA-ZFWWWQNUSA-N 0 1 287.382 3.628 20 0 CHADMN CCOc1ccc(CN2CCCC23CC3)cc1Cl ZINC001139592761 1131619622 /nfs/dbraw/zinc/61/96/22/1131619622.db2.gz GQJSEOYQCLDTTM-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN CCOc1ccc(CN2CCCC[C@@H]2COC)cc1Cl ZINC001139594425 1131619654 /nfs/dbraw/zinc/61/96/54/1131619654.db2.gz FHUZTPRQKQPPSX-CQSZACIVSA-N 0 1 297.826 3.740 20 0 CHADMN CCOc1ccc(C)cc1CN(C)CCOc1ccccc1 ZINC001139603852 1131620774 /nfs/dbraw/zinc/62/07/74/1131620774.db2.gz KRTOGXVYDZKJBF-UHFFFAOYSA-N 0 1 299.414 3.905 20 0 CHADMN CCN(Cc1cccnc1)Cc1ccc(Cl)c(OC)c1 ZINC001139621533 1131623376 /nfs/dbraw/zinc/62/33/76/1131623376.db2.gz KCSXQWJYKNHRLD-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN Oc1ccc(CN2CCC[C@@H](F)CC2)c(C(F)(F)F)c1 ZINC001144382566 1131623413 /nfs/dbraw/zinc/62/34/13/1131623413.db2.gz ZBPHJLVHSINQAP-LLVKDONJSA-N 0 1 291.288 3.735 20 0 CHADMN Oc1ccc(CN2CCC[C@H](F)CC2)c(C(F)(F)F)c1 ZINC001144382571 1131623454 /nfs/dbraw/zinc/62/34/54/1131623454.db2.gz ZBPHJLVHSINQAP-NSHDSACASA-N 0 1 291.288 3.735 20 0 CHADMN CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1CC1(CC)COC1 ZINC001202962900 1131630763 /nfs/dbraw/zinc/63/07/63/1131630763.db2.gz RXMJOPDWYPTZHZ-CVEARBPZSA-N 0 1 283.456 3.676 20 0 CHADMN CC[C@@H]1CO[C@@](C)(CCC(C)C)N1CC1(CC)COC1 ZINC001202962900 1131630765 /nfs/dbraw/zinc/63/07/65/1131630765.db2.gz RXMJOPDWYPTZHZ-CVEARBPZSA-N 0 1 283.456 3.676 20 0 CHADMN Cc1cc(O)cc(C)c1CN1Cc2ccccc2C1 ZINC001139712200 1131631359 /nfs/dbraw/zinc/63/13/59/1131631359.db2.gz NVEMAVUINWWSOF-UHFFFAOYSA-N 0 1 253.345 3.525 20 0 CHADMN CCN(Cc1cc(C)c(Br)cc1F)C1CC1 ZINC001144581306 1131661112 /nfs/dbraw/zinc/66/11/12/1131661112.db2.gz PEHALCNITVOMDW-UHFFFAOYSA-N 0 1 286.188 3.881 20 0 CHADMN COCc1ccc(CN2CCCC[C@](C)(F)C2)s1 ZINC001139823606 1131638931 /nfs/dbraw/zinc/63/89/31/1131638931.db2.gz ARCAWRYIPGKUEI-AWEZNQCLSA-N 0 1 271.401 3.609 20 0 CHADMN Cc1ccc(CCN(C)Cc2ccncc2Cl)cc1 ZINC001139847193 1131641274 /nfs/dbraw/zinc/64/12/74/1131641274.db2.gz PLQPETAAPSBWQM-UHFFFAOYSA-N 0 1 274.795 3.718 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(N(C)C2CCCCC2)nc1 ZINC001212614469 1131642780 /nfs/dbraw/zinc/64/27/80/1131642780.db2.gz PAHLPOAPKMAZRN-UHFFFAOYSA-N 0 1 299.422 3.636 20 0 CHADMN Cn1c(CN2CCC[C@@H](C(F)(F)F)C2)cc2ccccc21 ZINC001139870095 1131643273 /nfs/dbraw/zinc/64/32/73/1131643273.db2.gz DLISYSMLZGXQCK-CYBMUJFWSA-N 0 1 296.336 3.953 20 0 CHADMN Cn1c(CN2CC3CCC2CC3)cc2ccccc21 ZINC001139871804 1131644007 /nfs/dbraw/zinc/64/40/07/1131644007.db2.gz QUSBAOOJVOTFIN-UHFFFAOYSA-N 0 1 254.377 3.553 20 0 CHADMN COc1cc(Cl)cc(CN2CC3CCC2CC3)c1 ZINC001144488541 1131644435 /nfs/dbraw/zinc/64/44/35/1131644435.db2.gz MPPVXQFZXIHXNM-UHFFFAOYSA-N 0 1 265.784 3.723 20 0 CHADMN Fc1ccc(CN2CCOC[C@H]2C2CC2)c2ccccc12 ZINC001139893125 1131649011 /nfs/dbraw/zinc/64/90/11/1131649011.db2.gz GPZOKATYSAOWIE-SFHVURJKSA-N 0 1 285.362 3.590 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](Oc3ccccc3C)C2)cn1 ZINC001139931812 1131650647 /nfs/dbraw/zinc/65/06/47/1131650647.db2.gz VRTYKRUETRDPKR-GOSISDBHSA-N 0 1 296.414 3.742 20 0 CHADMN FC(F)(F)c1ncccc1CN1CCC2(CCCC2)C1 ZINC001144531536 1131652355 /nfs/dbraw/zinc/65/23/55/1131652355.db2.gz KMZXEIUIEXDDEN-UHFFFAOYSA-N 0 1 284.325 3.867 20 0 CHADMN C[C@@H]1CCC[N@H+](Cc2c(F)cc([O-])cc2F)C[C@@H]1C ZINC001144541211 1131653805 /nfs/dbraw/zinc/65/38/05/1131653805.db2.gz DHJRXTCUKKZBBW-MNOVXSKESA-N 0 1 269.335 3.538 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2c(F)cc([O-])cc2F)C[C@@H]1C ZINC001144541211 1131653807 /nfs/dbraw/zinc/65/38/07/1131653807.db2.gz DHJRXTCUKKZBBW-MNOVXSKESA-N 0 1 269.335 3.538 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC001140049157 1131658139 /nfs/dbraw/zinc/65/81/39/1131658139.db2.gz YCRPKHDNQDCAHS-MRXNPFEDSA-N 0 1 299.389 3.986 20 0 CHADMN CC(C)[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1F ZINC001140051350 1131658835 /nfs/dbraw/zinc/65/88/35/1131658835.db2.gz ZONWXAAMEYZJJG-UHFFFAOYSA-N 0 1 273.351 3.942 20 0 CHADMN CC(C)N(Cc1ccccc1)Cc1cc(O)ccc1F ZINC001140051350 1131658837 /nfs/dbraw/zinc/65/88/37/1131658837.db2.gz ZONWXAAMEYZJJG-UHFFFAOYSA-N 0 1 273.351 3.942 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001140047369 1131658908 /nfs/dbraw/zinc/65/89/08/1131658908.db2.gz FJZLNETTWIIVII-OAHLLOKOSA-N 0 1 285.362 3.911 20 0 CHADMN COc1c(Cl)cccc1C[N@@H+](C)C1CC(C)C1 ZINC001140056567 1131660159 /nfs/dbraw/zinc/66/01/59/1131660159.db2.gz CAONXGVACLDICD-UHFFFAOYSA-N 0 1 253.773 3.579 20 0 CHADMN C[N@@H+](Cc1cc(O)ccc1F)[C@H]1CCc2ccccc21 ZINC001140052994 1131660303 /nfs/dbraw/zinc/66/03/03/1131660303.db2.gz KOZGLJUSVAJHJX-KRWDZBQOSA-N 0 1 271.335 3.651 20 0 CHADMN CN(Cc1cc(O)ccc1F)[C@H]1CCc2ccccc21 ZINC001140052994 1131660305 /nfs/dbraw/zinc/66/03/05/1131660305.db2.gz KOZGLJUSVAJHJX-KRWDZBQOSA-N 0 1 271.335 3.651 20 0 CHADMN COc1ccc2n[nH]c(C[N@H+]3CCC[C@H]4CCCC[C@H]43)c2c1 ZINC001140069052 1131661113 /nfs/dbraw/zinc/66/11/13/1131661113.db2.gz HTLDQQBWQVOZMN-FZKQIMNGSA-N 0 1 299.418 3.726 20 0 CHADMN COc1ccc2n[nH]c(CN3CCC[C@H]4CCCC[C@H]43)c2c1 ZINC001140069052 1131661119 /nfs/dbraw/zinc/66/11/19/1131661119.db2.gz HTLDQQBWQVOZMN-FZKQIMNGSA-N 0 1 299.418 3.726 20 0 CHADMN COc1ccc2[nH]nc(CN3CCC[C@H]4CCCC[C@H]43)c2c1 ZINC001140069052 1131661123 /nfs/dbraw/zinc/66/11/23/1131661123.db2.gz HTLDQQBWQVOZMN-FZKQIMNGSA-N 0 1 299.418 3.726 20 0 CHADMN COc1ccc2n[nH]c(CN3CC[C@@H]3c3ccccc3)c2c1 ZINC001140068985 1131662017 /nfs/dbraw/zinc/66/20/17/1131662017.db2.gz FGJRFEKQQPFJFS-GOSISDBHSA-N 0 1 293.370 3.519 20 0 CHADMN CN(CCc1cccc(F)c1)Cc1ccc(O)cc1Cl ZINC001140087371 1131663089 /nfs/dbraw/zinc/66/30/89/1131663089.db2.gz MLXFAQRYIBYUTG-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN CCCN(Cc1ccccc1)Cc1ccc(O)cc1F ZINC001140127484 1131665661 /nfs/dbraw/zinc/66/56/61/1131665661.db2.gz VVNQMECEOILWAM-UHFFFAOYSA-N 0 1 273.351 3.944 20 0 CHADMN c1csc(C2CCN(Cc3ncn4ccccc34)CC2)c1 ZINC001144621894 1131669443 /nfs/dbraw/zinc/66/94/43/1131669443.db2.gz BKPDFGKQMYHWAV-UHFFFAOYSA-N 0 1 297.427 3.775 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1F ZINC001144663920 1131677152 /nfs/dbraw/zinc/67/71/52/1131677152.db2.gz NXKDWAMGOMRHHX-VXGBXAGGSA-N 0 1 281.346 3.683 20 0 CHADMN CCC[N@@H+](Cc1sccc1C(=O)[O-])Cc1ccccc1 ZINC001144670522 1131678095 /nfs/dbraw/zinc/67/80/95/1131678095.db2.gz MLQQLKJZKKNIJX-UHFFFAOYSA-N 0 1 289.400 3.859 20 0 CHADMN Oc1cccc2[nH]cc(CN3CCC[C@@H](C(F)(F)F)C3)c21 ZINC001140233859 1131679782 /nfs/dbraw/zinc/67/97/82/1131679782.db2.gz WFZMOULPGFZNAG-LLVKDONJSA-N 0 1 298.308 3.648 20 0 CHADMN CC[N@@H+](Cc1sccc1C(=O)[O-])Cc1cccc(F)c1 ZINC001144677269 1131680022 /nfs/dbraw/zinc/68/00/22/1131680022.db2.gz JTHSVCOPBYQCTA-UHFFFAOYSA-N 0 1 293.363 3.608 20 0 CHADMN O=C([O-])c1ccsc1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001144677526 1131680045 /nfs/dbraw/zinc/68/00/45/1131680045.db2.gz UKKTXZVQXCQWSF-UHFFFAOYSA-N 0 1 297.395 3.551 20 0 CHADMN CCCN(CCC)c1ccc(NCc2cncnc2)cc1 ZINC000846059284 1131680108 /nfs/dbraw/zinc/68/01/08/1131680108.db2.gz WPCDTTVOECNMQD-UHFFFAOYSA-N 0 1 284.407 3.715 20 0 CHADMN Oc1cccc2[nH]cc(CN3CCC[C@H](C(F)(F)F)C3)c21 ZINC001140233861 1131680337 /nfs/dbraw/zinc/68/03/37/1131680337.db2.gz WFZMOULPGFZNAG-NSHDSACASA-N 0 1 298.308 3.648 20 0 CHADMN CCCCCC[C@](C)(CC)C(=O)N1CCC2(CN(C)C2)C1 ZINC000834526172 1131681546 /nfs/dbraw/zinc/68/15/46/1131681546.db2.gz JHTYJWUEDVEMIF-KRWDZBQOSA-N 0 1 294.483 3.537 20 0 CHADMN CCOc1ccc2[nH]cc(CN3CCCC[C@@H](F)C3)c2c1 ZINC001140267666 1131685831 /nfs/dbraw/zinc/68/58/31/1131685831.db2.gz KFBNSJDFHDMYSY-CQSZACIVSA-N 0 1 290.382 3.891 20 0 CHADMN CC(C)CCOc1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000846109585 1131687438 /nfs/dbraw/zinc/68/74/38/1131687438.db2.gz FPEBJJRHWASNGC-IYBDPMFKSA-N 0 1 295.373 3.808 20 0 CHADMN CCCCC[C@H](C)NC(=O)CNc1ccc2cnccc2c1 ZINC000834684889 1131693601 /nfs/dbraw/zinc/69/36/01/1131693601.db2.gz AHPPPKWAYFFJDU-AWEZNQCLSA-N 0 1 299.418 3.732 20 0 CHADMN CCCCC[C@@H](C)NC(=O)CNc1ccc2cnccc2c1 ZINC000834684890 1131693608 /nfs/dbraw/zinc/69/36/08/1131693608.db2.gz AHPPPKWAYFFJDU-CQSZACIVSA-N 0 1 299.418 3.732 20 0 CHADMN CCCC[C@@H](C)N(C)C(=O)c1ccc(CN2CCCC2)o1 ZINC001160688687 1131694526 /nfs/dbraw/zinc/69/45/26/1131694526.db2.gz LEVBNRSJPXPTAV-CQSZACIVSA-N 0 1 292.423 3.526 20 0 CHADMN CC(C)[C@@H]1CN(Cc2ccccc2-c2cccnc2)CCO1 ZINC001140318914 1131696401 /nfs/dbraw/zinc/69/64/01/1131696401.db2.gz PUJKVVZVWPJCCG-IBGZPJMESA-N 0 1 296.414 3.605 20 0 CHADMN C[C@H]1CN(Cc2ccc3scnc3c2)CCC1(F)F ZINC001144732689 1131696953 /nfs/dbraw/zinc/69/69/53/1131696953.db2.gz JDOSREDWAZSSRI-JTQLQIEISA-N 0 1 282.359 3.773 20 0 CHADMN COc1ccccc1CN(C)Cc1ccc2scnc2c1 ZINC001144737116 1131698428 /nfs/dbraw/zinc/69/84/28/1131698428.db2.gz NKTIDHANTCPETL-UHFFFAOYSA-N 0 1 298.411 3.937 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCc4ccccc4[C@@H]3C)c2c1 ZINC001140328826 1131699117 /nfs/dbraw/zinc/69/91/17/1131699117.db2.gz MFOQDXPGQMNLDI-AWEZNQCLSA-N 0 1 291.398 3.991 20 0 CHADMN Cc1ccc2[nH]nc(CN3CCc4ccccc4[C@@H]3C)c2c1 ZINC001140328826 1131699119 /nfs/dbraw/zinc/69/91/19/1131699119.db2.gz MFOQDXPGQMNLDI-AWEZNQCLSA-N 0 1 291.398 3.991 20 0 CHADMN FC(F)[C@@H]1CCCN(Cc2ccc3scnc3c2)C1 ZINC001144739097 1131699643 /nfs/dbraw/zinc/69/96/43/1131699643.db2.gz SXFHYTDMAWOFNB-LLVKDONJSA-N 0 1 282.359 3.773 20 0 CHADMN Cc1cc([C@H](C)NCCC[C@H]2CC2(Cl)Cl)no1 ZINC000846216941 1131699837 /nfs/dbraw/zinc/69/98/37/1131699837.db2.gz WATTZWMSRSLLGB-UWVGGRQHSA-N 0 1 277.195 3.608 20 0 CHADMN CC(C)[C@@H]1CCC[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001144745545 1131700494 /nfs/dbraw/zinc/70/04/94/1131700494.db2.gz FKONISKZWJZYDR-OLZOCXBDSA-N 0 1 285.391 3.508 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(-c2nccs2)c1 ZINC001140332202 1131700569 /nfs/dbraw/zinc/70/05/69/1131700569.db2.gz PIKVGPWHEHNFEK-GASCZTMLSA-N 0 1 298.411 3.506 20 0 CHADMN CCCC[N@@H+](C/C=C(\C)C(=O)[O-])Cc1ccccc1Cl ZINC000846243395 1131702564 /nfs/dbraw/zinc/70/25/64/1131702564.db2.gz ALZQGXFZFRMWST-UKTHLTGXSA-N 0 1 295.810 3.973 20 0 CHADMN CCN(Cc1ccc2scnc2c1)Cc1ccccn1 ZINC001144743690 1131703262 /nfs/dbraw/zinc/70/32/62/1131703262.db2.gz VIYRABOMSFQWSL-UHFFFAOYSA-N 0 1 283.400 3.713 20 0 CHADMN C/C(=C\C[N@H+]1CCCC[C@H]1CCc1ccccc1)C(=O)[O-] ZINC000846244393 1131703502 /nfs/dbraw/zinc/70/35/02/1131703502.db2.gz IJYANFUXZVIKRQ-VMEIHUARSA-N 0 1 287.403 3.505 20 0 CHADMN CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C/C=C(/C)C(=O)[O-])o1 ZINC000846256689 1131704489 /nfs/dbraw/zinc/70/44/89/1131704489.db2.gz MCKWBPGZZXPUQV-XFJUGBFOSA-N 0 1 291.391 3.646 20 0 CHADMN CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C/C=C(\C)C(=O)[O-])o1 ZINC000846256685 1131704551 /nfs/dbraw/zinc/70/45/51/1131704551.db2.gz MCKWBPGZZXPUQV-ADUFIXBUSA-N 0 1 291.391 3.646 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@H]2N[C@@H]1CCn2ccnc21 ZINC000834833296 1131708579 /nfs/dbraw/zinc/70/85/79/1131708579.db2.gz YKHWXZDVZVHDKF-HZPDHXFCSA-N 0 1 281.403 3.612 20 0 CHADMN CCc1nc(CN[C@@H](C)C(C)(C)c2ccccc2)co1 ZINC000834899088 1131723503 /nfs/dbraw/zinc/72/35/03/1131723503.db2.gz ONOMFSICNSHXQG-ZDUSSCGKSA-N 0 1 272.392 3.693 20 0 CHADMN Fc1ccc(CN(CC2(Br)CC2)C2CC2)cc1 ZINC000846758804 1131723684 /nfs/dbraw/zinc/72/36/84/1131723684.db2.gz IOWCPTWGDPRQOS-UHFFFAOYSA-N 0 1 298.199 3.718 20 0 CHADMN Fc1cc(CN2CCC[C@@H]2C2CCC2)cnc1Cl ZINC000846795758 1131733131 /nfs/dbraw/zinc/73/31/31/1131733131.db2.gz ATJMEHRBVAGQJK-CYBMUJFWSA-N 0 1 268.763 3.639 20 0 CHADMN CCC1CCN(Cc2nc(Cl)ccc2C)CC1 ZINC001140443031 1131739092 /nfs/dbraw/zinc/73/90/92/1131739092.db2.gz XWZRXKFGCRRQMW-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN O=C(CCN1CCC(=Cc2cccc(F)c2)CC1)C1CC1 ZINC000846830779 1131739997 /nfs/dbraw/zinc/73/99/97/1131739997.db2.gz OCIONIVLNFIJGG-UHFFFAOYSA-N 0 1 287.378 3.674 20 0 CHADMN Clc1cccc2[nH]cc(CN3CCC[C@@]4(CCO4)C3)c21 ZINC001140447234 1131740622 /nfs/dbraw/zinc/74/06/22/1131740622.db2.gz UOSRWOJDCIIZKB-MRXNPFEDSA-N 0 1 290.794 3.576 20 0 CHADMN COc1ccc(C(C)C)cc1CN1CCC(C(C)=O)CC1 ZINC000846939282 1131760773 /nfs/dbraw/zinc/76/07/73/1131760773.db2.gz MJOHJYIISQJEFT-UHFFFAOYSA-N 0 1 289.419 3.620 20 0 CHADMN Cc1cc(Br)c(CN[C@H](C)c2ccc[nH]2)s1 ZINC000835041927 1131761592 /nfs/dbraw/zinc/76/15/92/1131761592.db2.gz PJIKWGTXFNEGCU-SECBINFHSA-N 0 1 299.237 3.998 20 0 CHADMN COc1cc(F)cc(CN2CC3(C2)CCCCC3)c1 ZINC001140484073 1131761658 /nfs/dbraw/zinc/76/16/58/1131761658.db2.gz HWTPRLPTZVLLCK-UHFFFAOYSA-N 0 1 263.356 3.600 20 0 CHADMN Cc1[nH]c(C[N@H+]2CCC[C@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001140495779 1131768718 /nfs/dbraw/zinc/76/87/18/1131768718.db2.gz FNCBTBHDSXZTNV-INIZCTEOSA-N 0 1 298.386 3.667 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1c(F)cc(F)cc1F ZINC001140536258 1131781754 /nfs/dbraw/zinc/78/17/54/1131781754.db2.gz OPEWAZQKMMGSAQ-AWEZNQCLSA-N 0 1 257.299 3.724 20 0 CHADMN CCCCN(C(=O)[C@@H]1CCN1C(C)(C)C)c1ccccc1 ZINC001149108151 1131783176 /nfs/dbraw/zinc/78/31/76/1131783176.db2.gz FMWVXLJLAHKOKB-INIZCTEOSA-N 0 1 288.435 3.693 20 0 CHADMN Fc1cc(Cl)cc(CN2CCC3(CCCOC3)CC2)c1 ZINC001140542935 1131787147 /nfs/dbraw/zinc/78/71/47/1131787147.db2.gz UMOBJLQZLFBGAL-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN CCCC(=O)c1ccccc1OC1CCN(C2CC2)CC1 ZINC001228024650 1131790961 /nfs/dbraw/zinc/79/09/61/1131790961.db2.gz MDIMWVDWFNVXPP-UHFFFAOYSA-N 0 1 287.403 3.675 20 0 CHADMN Fc1cccc(CN2C[C@H]3[C@H](CCC3(F)F)C2)c1Cl ZINC001140560367 1131793325 /nfs/dbraw/zinc/79/33/25/1131793325.db2.gz ZRBVMSZLYLBJDN-KOLCDFICSA-N 0 1 289.728 3.956 20 0 CHADMN CN(Cc1cc(Cl)ccc1C(F)(F)F)[C@@H]1CCOC1 ZINC001140566373 1131797950 /nfs/dbraw/zinc/79/79/50/1131797950.db2.gz CYZKVOSXLPDZRQ-LLVKDONJSA-N 0 1 293.716 3.580 20 0 CHADMN Cc1ccc(F)cc1CN1CC(C)(C)OC(C)(C)C1 ZINC001140592611 1131814879 /nfs/dbraw/zinc/81/48/79/1131814879.db2.gz TVWREEKOLLBPCT-UHFFFAOYSA-N 0 1 265.372 3.524 20 0 CHADMN Cc1scc(C(=O)Nc2nc3cccc(C)c3[nH]2)c1C ZINC001147511894 1131825606 /nfs/dbraw/zinc/82/56/06/1131825606.db2.gz BULONORMXFCCBT-UHFFFAOYSA-N 0 1 285.372 3.802 20 0 CHADMN CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC001148387662 1131851533 /nfs/dbraw/zinc/85/15/33/1131851533.db2.gz GLJFGYMRNJNRRL-SJORKVTESA-N 0 1 294.483 3.584 20 0 CHADMN COc1ncc(C[N@H+]2CC[C@H](C3CCCC3)C2)cc1Cl ZINC001171331163 1131853256 /nfs/dbraw/zinc/85/32/56/1131853256.db2.gz HMQRURWFLYWDQU-AWEZNQCLSA-N 0 1 294.826 3.756 20 0 CHADMN COc1ncc(CN2CC[C@H](C3CCCC3)C2)cc1Cl ZINC001171331163 1131853262 /nfs/dbraw/zinc/85/32/62/1131853262.db2.gz HMQRURWFLYWDQU-AWEZNQCLSA-N 0 1 294.826 3.756 20 0 CHADMN COc1ccc(CN2Cc3ccccc3C2)c(C)c1 ZINC001140675728 1131857530 /nfs/dbraw/zinc/85/75/30/1131857530.db2.gz SEDMBZGHCONKMF-UHFFFAOYSA-N 0 1 253.345 3.519 20 0 CHADMN COc1ccc(CN2CCc3c(cccc3OC)C2)c(C)c1 ZINC001140677138 1131857716 /nfs/dbraw/zinc/85/77/16/1131857716.db2.gz BHFMJTRTDKBZTG-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN COc1ccc(CN2CCc3cccc(OC)c3C2)c(C)c1 ZINC001140675394 1131858327 /nfs/dbraw/zinc/85/83/27/1131858327.db2.gz MJPYVRXTVXHYIB-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN Cc1nc2ccc(O[C@H](C)COCc3ccccc3)cc2[nH]1 ZINC001228327130 1131858589 /nfs/dbraw/zinc/85/85/89/1131858589.db2.gz OEMMXIWXCKLKAB-CYBMUJFWSA-N 0 1 296.370 3.855 20 0 CHADMN Cc1cccc(CN(Cc2ccc(CO)o2)C2CC2)c1C ZINC001140684346 1131858701 /nfs/dbraw/zinc/85/87/01/1131858701.db2.gz IYVSCOSUSNZICD-UHFFFAOYSA-N 0 1 285.387 3.553 20 0 CHADMN CC[C@H](C)CN(CC)C(=O)[C@@H](c1ccccc1)N(C)CC ZINC001148850545 1131873708 /nfs/dbraw/zinc/87/37/08/1131873708.db2.gz GOZCAQZCXJLVQT-DOTOQJQBSA-N 0 1 290.451 3.574 20 0 CHADMN O=c1ncc(Cl)c(O[C@@H]2Cc3cccc4cccc2c34)[nH]1 ZINC001228480830 1131892906 /nfs/dbraw/zinc/89/29/06/1131892906.db2.gz PUQFAUNBPADBSY-CYBMUJFWSA-N 0 1 298.729 3.665 20 0 CHADMN O=c1ncc(Cl)c(O[C@H]2CCc3cc(Cl)ccc32)[nH]1 ZINC001228480905 1131894328 /nfs/dbraw/zinc/89/43/28/1131894328.db2.gz ROOIGSKNRPZORK-NSHDSACASA-N 0 1 297.141 3.555 20 0 CHADMN CCCC/C=C/[C@H](C)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507796 1131900427 /nfs/dbraw/zinc/90/04/27/1131900427.db2.gz VWPFHAQHPHEIQY-UCUJLANTSA-N 0 1 280.759 3.520 20 0 CHADMN Cc1cc(C)cc(NC(=O)CN2CCCC3(CCC3)C2)c1 ZINC000348184397 1131902208 /nfs/dbraw/zinc/90/22/08/1131902208.db2.gz WORDPFYYHYDATF-UHFFFAOYSA-N 0 1 286.419 3.508 20 0 CHADMN Cc1nc2cc(Nc3cccc([C@H](C)O)c3)ccc2[nH]1 ZINC001213073642 1131908968 /nfs/dbraw/zinc/90/89/68/1131908968.db2.gz VDLVOIDHCRZBEI-JTQLQIEISA-N 0 1 267.332 3.668 20 0 CHADMN CC(C)NCc1nc(-c2cc3ccoc3c(Cl)c2)no1 ZINC001247456675 1131914767 /nfs/dbraw/zinc/91/47/67/1131914767.db2.gz OZSZADYMRWGZPC-UHFFFAOYSA-N 0 1 291.738 3.634 20 0 CHADMN CC[C@H](NCc1nc2cc(F)ccc2n1C)c1ccccc1 ZINC000773002383 1131915802 /nfs/dbraw/zinc/91/58/02/1131915802.db2.gz RALHNNDDTKFQSW-HNNXBMFYSA-N 0 1 297.377 3.953 20 0 CHADMN Oc1cccc2c1CCN(Cc1coc3ccccc13)C2 ZINC001140782655 1131916776 /nfs/dbraw/zinc/91/67/76/1131916776.db2.gz OKWFYUZXIZKCHM-UHFFFAOYSA-N 0 1 279.339 3.697 20 0 CHADMN Cc1cc(Br)ccc1CN1CCC2(CC2)C1 ZINC001140815350 1131934248 /nfs/dbraw/zinc/93/42/48/1131934248.db2.gz QQZIWNHCKYGWJS-UHFFFAOYSA-N 0 1 280.209 3.743 20 0 CHADMN COc1ccc([C@H](Oc2ccc3[nH]nnc3c2)C(C)C)cc1 ZINC001228663336 1131929494 /nfs/dbraw/zinc/92/94/94/1131929494.db2.gz AOYUWUMAKCAOGG-QGZVFWFLSA-N 0 1 297.358 3.743 20 0 CHADMN C[N@H+](Cc1cccnc1)Cc1cc(Cl)c([O-])c(Cl)c1 ZINC001140829276 1131938604 /nfs/dbraw/zinc/93/86/04/1131938604.db2.gz FKWJNMXYUPCYQL-UHFFFAOYSA-N 0 1 297.185 3.726 20 0 CHADMN C[N@@H+](Cc1cccnc1)Cc1cc(Cl)c([O-])c(Cl)c1 ZINC001140829276 1131938612 /nfs/dbraw/zinc/93/86/12/1131938612.db2.gz FKWJNMXYUPCYQL-UHFFFAOYSA-N 0 1 297.185 3.726 20 0 CHADMN COc1cc(F)c(CN(C)[C@H]2CC[C@H](C)CC2)c(F)c1 ZINC001140829360 1131939180 /nfs/dbraw/zinc/93/91/80/1131939180.db2.gz HXPGXFLYZPQBLO-HAQNSBGRSA-N 0 1 283.362 3.984 20 0 CHADMN C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c([O-])c(Cl)c1 ZINC001140830319 1131939674 /nfs/dbraw/zinc/93/96/74/1131939674.db2.gz ULFBCJJGURZHMB-MRVPVSSYSA-N 0 1 260.164 3.683 20 0 CHADMN C[C@@H]1CCC[N@H+]1Cc1cc(Cl)c([O-])c(Cl)c1 ZINC001140830319 1131939678 /nfs/dbraw/zinc/93/96/78/1131939678.db2.gz ULFBCJJGURZHMB-MRVPVSSYSA-N 0 1 260.164 3.683 20 0 CHADMN C[N@@H+](Cc1cc(Cl)c([O-])c(Cl)c1)C(C)(C)C ZINC001140831157 1131942584 /nfs/dbraw/zinc/94/25/84/1131942584.db2.gz HXABDIJEMFMMLC-UHFFFAOYSA-N 0 1 262.180 3.929 20 0 CHADMN C[C@@]1(CF)CC[N@H+](Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140835195 1131942662 /nfs/dbraw/zinc/94/26/62/1131942662.db2.gz OYQCJUKGLSNXQA-ZDUSSCGKSA-N 0 1 292.181 3.881 20 0 CHADMN C[C@@]1(CF)CC[N@@H+](Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140835195 1131942669 /nfs/dbraw/zinc/94/26/69/1131942669.db2.gz OYQCJUKGLSNXQA-ZDUSSCGKSA-N 0 1 292.181 3.881 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccc(F)n2)ccc1F ZINC000773098237 1131946516 /nfs/dbraw/zinc/94/65/16/1131946516.db2.gz ZOXSXBZRTFZLEU-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN Cc1c[nH]c(CN2CCCC[C@H]2c2cccnc2)c1C ZINC001140859780 1131951290 /nfs/dbraw/zinc/95/12/90/1131951290.db2.gz FINGFOPJODUXOA-KRWDZBQOSA-N 0 1 269.392 3.754 20 0 CHADMN CCC[C@H](NCc1cnn(C)c1Cl)c1ccccc1 ZINC000712401492 1131955750 /nfs/dbraw/zinc/95/57/50/1131955750.db2.gz KDDGWMAKFLTJDG-AWEZNQCLSA-N 0 1 277.799 3.705 20 0 CHADMN [O-]c1ccc(C[N@H+]2CCC3(C2)CCCCC3)c(F)c1F ZINC001140894941 1131958043 /nfs/dbraw/zinc/95/80/43/1131958043.db2.gz HERRWMLAQWJOAE-UHFFFAOYSA-N 0 1 281.346 3.827 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc([O-])c(F)c2F)C[C@@H]1C ZINC001140889652 1131959231 /nfs/dbraw/zinc/95/92/31/1131959231.db2.gz JCCDPZDDLSBCIQ-MNOVXSKESA-N 0 1 269.335 3.538 20 0 CHADMN [O-]c1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c(F)c1F ZINC001140892943 1131960396 /nfs/dbraw/zinc/96/03/96/1131960396.db2.gz DIXJVGZOQAYZEZ-NEPJUHHUSA-N 0 1 281.346 3.683 20 0 CHADMN C[C@@H]1CCCN(Cc2cnccc2C(F)(F)F)CC1 ZINC001140915659 1131962954 /nfs/dbraw/zinc/96/29/54/1131962954.db2.gz PNXOFFFLWLOIRG-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN CCC1CCN(Cc2cnccc2C(F)(F)F)CC1 ZINC001140916173 1131963420 /nfs/dbraw/zinc/96/34/20/1131963420.db2.gz ZSCCEVXPLNYFHN-UHFFFAOYSA-N 0 1 272.314 3.722 20 0 CHADMN CC1(C)CCN(Cc2cnccc2C(F)(F)F)CC1 ZINC001140917881 1131963652 /nfs/dbraw/zinc/96/36/52/1131963652.db2.gz IXPMYEHIEDYKHJ-UHFFFAOYSA-N 0 1 272.314 3.722 20 0 CHADMN FC(F)(F)c1ccncc1CN1CCC[C@H]2CCC[C@@H]21 ZINC001140919143 1131963726 /nfs/dbraw/zinc/96/37/26/1131963726.db2.gz JXGWCZOELFVPNG-RISCZKNCSA-N 0 1 284.325 3.865 20 0 CHADMN FC(F)(F)c1n[nH]cc1C[N@H+]1CCC2(C1)CCCCC2 ZINC001141019198 1131985460 /nfs/dbraw/zinc/98/54/60/1131985460.db2.gz XODVZZMRKSWGCI-UHFFFAOYSA-N 0 1 287.329 3.585 20 0 CHADMN FC(F)(F)c1n[nH]cc1CN1CCC2(C1)CCCCC2 ZINC001141019198 1131985464 /nfs/dbraw/zinc/98/54/64/1131985464.db2.gz XODVZZMRKSWGCI-UHFFFAOYSA-N 0 1 287.329 3.585 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2ccc3cccc(O)c3n2)cc1 ZINC001141023533 1131987121 /nfs/dbraw/zinc/98/71/21/1131987121.db2.gz NVIBSZLTMGBSMB-UHFFFAOYSA-N 0 1 292.382 3.881 20 0 CHADMN CC1(C)CN(Cc2ccn3ccnc3c2)Cc2ccccc21 ZINC001141046621 1131993308 /nfs/dbraw/zinc/99/33/08/1131993308.db2.gz IMVKGQDNPVEQGP-UHFFFAOYSA-N 0 1 291.398 3.628 20 0 CHADMN C[C@@H](NCc1cccc(Br)c1)c1ccns1 ZINC000715920734 1131995692 /nfs/dbraw/zinc/99/56/92/1131995692.db2.gz NPZJQIUQTUCEMN-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN CC[C@H](N[C@H](C)c1ccns1)c1ccc(OC)cc1 ZINC000715920037 1131996426 /nfs/dbraw/zinc/99/64/26/1131996426.db2.gz LGOPFFCCWVZYFV-RISCZKNCSA-N 0 1 276.405 3.954 20 0 CHADMN C[C@@H](N[C@@H]1CCc2c1cccc2F)c1ccns1 ZINC000715956418 1131997504 /nfs/dbraw/zinc/99/75/04/1131997504.db2.gz VTYDVZONXYYXPC-NOZJJQNGSA-N 0 1 262.353 3.620 20 0 CHADMN C[C@H](N[C@H]1CCc2c1cccc2F)c1ccns1 ZINC000715956422 1131997796 /nfs/dbraw/zinc/99/77/96/1131997796.db2.gz VTYDVZONXYYXPC-ZANVPECISA-N 0 1 262.353 3.620 20 0 CHADMN c1ccc(C[N@H+]2CC[C@H](Oc3ncccc3C3CC3)C2)cc1 ZINC001229020344 1132000035 /nfs/dbraw/zinc/00/00/35/1132000035.db2.gz KMXSGRCIQQXDHV-KRWDZBQOSA-N 0 1 294.398 3.612 20 0 CHADMN COc1ccc([C@H](N[C@@H](C)c2ccns2)C2CC2)cc1 ZINC000716023807 1132001319 /nfs/dbraw/zinc/00/13/19/1132001319.db2.gz ZPYRMCPHBFZOHM-MEDUHNTESA-N 0 1 288.416 3.954 20 0 CHADMN C[C@H](NCc1ccc2c(c1)CC(C)(C)O2)c1ccns1 ZINC000716019534 1132001831 /nfs/dbraw/zinc/00/18/31/1132001831.db2.gz HZPCJWBMKRPHNG-NSHDSACASA-N 0 1 288.416 3.707 20 0 CHADMN CCCCc1ncc(CN(C)Cc2nc3ccccc3o2)[nH]1 ZINC001141071559 1132002485 /nfs/dbraw/zinc/00/24/85/1132002485.db2.gz UINXUYVBVVCLFZ-UHFFFAOYSA-N 0 1 298.390 3.526 20 0 CHADMN CC[C@H](N[C@H](C)c1ccns1)c1ccc2c(c1)CCO2 ZINC000716047958 1132002765 /nfs/dbraw/zinc/00/27/65/1132002765.db2.gz NVGNLEFKVANBKE-RISCZKNCSA-N 0 1 288.416 3.880 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2ccns2)cs1 ZINC000715989543 1132006364 /nfs/dbraw/zinc/00/63/64/1132006364.db2.gz GEQDXBULKIKCAY-UWVGGRQHSA-N 0 1 252.408 3.925 20 0 CHADMN CCCC[N@@H+](C)Cc1ccncc1NC(=O)OC(C)(C)C ZINC001141082653 1132007304 /nfs/dbraw/zinc/00/73/04/1132007304.db2.gz PACWJOYMNSKIPQ-UHFFFAOYSA-N 0 1 293.411 3.661 20 0 CHADMN Cc1cccc(CN2CCC(F)CC2)c1Br ZINC001141089229 1132010130 /nfs/dbraw/zinc/01/01/30/1132010130.db2.gz NEOSDHCWKACFNN-UHFFFAOYSA-N 0 1 286.188 3.691 20 0 CHADMN FC[C@H]1CCCN1Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001141121010 1132023464 /nfs/dbraw/zinc/02/34/64/1132023464.db2.gz FVDJMEXKXQNECP-MRXNPFEDSA-N 0 1 288.341 3.822 20 0 CHADMN Brc1cnc(CNCCCCC2CC2)s1 ZINC000716357520 1132024212 /nfs/dbraw/zinc/02/42/12/1132024212.db2.gz HNPZNNXPCCRXTB-UHFFFAOYSA-N 0 1 289.242 3.576 20 0 CHADMN CCN1CCC[C@H](Oc2cc3ccccc3nc2Cl)C1 ZINC001229129368 1132025521 /nfs/dbraw/zinc/02/55/21/1132025521.db2.gz NQCMBPDSVMSCBW-ZDUSSCGKSA-N 0 1 290.794 3.751 20 0 CHADMN Cc1n[nH]c(CN[C@@H](C)c2cc3ccccc3o2)c1C ZINC000716465671 1132025543 /nfs/dbraw/zinc/02/55/43/1132025543.db2.gz ZTUHQAVUDYTEGK-LBPRGKRZSA-N 0 1 269.348 3.624 20 0 CHADMN C[Si](C)(C)CN(Cc1cocn1)Cc1ccccc1 ZINC001141129283 1132025692 /nfs/dbraw/zinc/02/56/92/1132025692.db2.gz DREBXFQZUNBZGI-UHFFFAOYSA-N 0 1 274.440 3.554 20 0 CHADMN NCc1nccnc1Nc1cccc2c3ccccc3oc21 ZINC001171447487 1132026141 /nfs/dbraw/zinc/02/61/41/1132026141.db2.gz FPNJOBTZBMWKPX-UHFFFAOYSA-N 0 1 290.326 3.578 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c(F)c1 ZINC001141191487 1132040007 /nfs/dbraw/zinc/04/00/07/1132040007.db2.gz MMJRTJSASUKECZ-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2c2cccnc2)c(F)c1 ZINC001141191487 1132040012 /nfs/dbraw/zinc/04/00/12/1132040012.db2.gz MMJRTJSASUKECZ-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccc(C[N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c(F)c1 ZINC001141191321 1132040231 /nfs/dbraw/zinc/04/02/31/1132040231.db2.gz JQBQWQNUMDEQBM-IRXDYDNUSA-N 0 1 295.357 3.546 20 0 CHADMN Cc1ccc(CN2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c(F)c1 ZINC001141191321 1132040237 /nfs/dbraw/zinc/04/02/37/1132040237.db2.gz JQBQWQNUMDEQBM-IRXDYDNUSA-N 0 1 295.357 3.546 20 0 CHADMN C[C@@]1(F)CCCN([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171476654 1132042245 /nfs/dbraw/zinc/04/22/45/1132042245.db2.gz NEUGDDGBSIQFNP-XJKSGUPXSA-N 0 1 283.337 3.646 20 0 CHADMN Cc1c2nc[nH]c2ccc1NCCOC1CCCCC1 ZINC001171477197 1132042431 /nfs/dbraw/zinc/04/24/31/1132042431.db2.gz GWDWPAFBBSUCKK-UHFFFAOYSA-N 0 1 273.380 3.633 20 0 CHADMN Cc1cc2cc[nH]c2c(NCCOC2CCCCC2)n1 ZINC001171473850 1132042715 /nfs/dbraw/zinc/04/27/15/1132042715.db2.gz SAKGERBJDNDMLQ-UHFFFAOYSA-N 0 1 273.380 3.633 20 0 CHADMN c1sc(-c2ccccc2)nc1CN1CC2CC(C2)C1 ZINC001141212505 1132044270 /nfs/dbraw/zinc/04/42/70/1132044270.db2.gz BDUGYLDAANMKJR-UHFFFAOYSA-N 0 1 270.401 3.652 20 0 CHADMN c1sc(-c2ccccc2)nc1CN1CCC2(CC2)C1 ZINC001141211144 1132044643 /nfs/dbraw/zinc/04/46/43/1132044643.db2.gz LLMAVITXIVFIHS-UHFFFAOYSA-N 0 1 270.401 3.796 20 0 CHADMN O=C(N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1)C(F)(F)F ZINC000837179756 1132049003 /nfs/dbraw/zinc/04/90/03/1132049003.db2.gz WUYBZUWAMGKOFP-KOLCDFICSA-N 0 1 291.700 3.655 20 0 CHADMN CCCO[C@@H]1CCN(Cc2ccc(Cl)c(C)c2)C1 ZINC001141237041 1132055585 /nfs/dbraw/zinc/05/55/85/1132055585.db2.gz LAXSFZGCOASZJW-CQSZACIVSA-N 0 1 267.800 3.649 20 0 CHADMN Cc1ccc(CC[C@@H](C)NC2(c3ccccc3)COC2)cc1 ZINC001171659420 1132070679 /nfs/dbraw/zinc/07/06/79/1132070679.db2.gz BYQDZCXTYNTPBT-QGZVFWFLSA-N 0 1 295.426 3.831 20 0 CHADMN Cc1ccc(CC[C@H](C)NC2(c3ccccc3)COC2)cc1 ZINC001171659419 1132071108 /nfs/dbraw/zinc/07/11/08/1132071108.db2.gz BYQDZCXTYNTPBT-KRWDZBQOSA-N 0 1 295.426 3.831 20 0 CHADMN Cc1ccc(CC[C@@H](C)N(C)Cc2nccs2)cc1 ZINC001171680972 1132077741 /nfs/dbraw/zinc/07/77/41/1132077741.db2.gz UMUYUTQDZKQBQV-CQSZACIVSA-N 0 1 274.433 3.905 20 0 CHADMN CC(C)(C)N1CC(Oc2cccc3c(Cl)ccnc23)C1 ZINC001229552892 1132086975 /nfs/dbraw/zinc/08/69/75/1132086975.db2.gz MVNLKKKGPFHQOF-UHFFFAOYSA-N 0 1 290.794 3.750 20 0 CHADMN C[C@@H]1CN(CCO[C@H]2CCCC[C@H]2C)CC2(CCCC2)O1 ZINC001171735939 1132098407 /nfs/dbraw/zinc/09/84/07/1132098407.db2.gz ZCOFXLCNKARPQM-ZACQAIPSSA-N 0 1 295.467 3.615 20 0 CHADMN CC(C)[C@@H](Oc1ccc(F)cc1CN(C)C)C(F)(F)F ZINC001229853375 1132126076 /nfs/dbraw/zinc/12/60/76/1132126076.db2.gz HDOLJSSDTFZNEG-CYBMUJFWSA-N 0 1 293.304 3.853 20 0 CHADMN C[C@H](N[C@H]1CSc2ccccc2C1)c1cscn1 ZINC001172183025 1132136286 /nfs/dbraw/zinc/13/62/86/1132136286.db2.gz BAJQLXLBIKGPEN-CMPLNLGQSA-N 0 1 276.430 3.511 20 0 CHADMN Fc1ccc(CN(C[C@@H]2CC2(Cl)Cl)C2CC2)cc1 ZINC000838542054 1132141782 /nfs/dbraw/zinc/14/17/82/1132141782.db2.gz QJHSTPPZZRQTNP-NSHDSACASA-N 0 1 288.193 3.984 20 0 CHADMN Fc1cccc(F)c1CN[C@H]1CSc2ccccc2C1 ZINC001172193495 1132145831 /nfs/dbraw/zinc/14/58/31/1132145831.db2.gz MWRDNSZGTMIKSA-GFCCVEGCSA-N 0 1 291.366 3.771 20 0 CHADMN CCCCN(C(=O)CN(CC)C1CC1)[C@H]1CCC[C@H](C)C1 ZINC001141522695 1132149423 /nfs/dbraw/zinc/14/94/23/1132149423.db2.gz PSMKUPBXRIKIBT-RDJZCZTQSA-N 0 1 294.483 3.678 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccccc2)c(Cl)n1 ZINC000838912380 1132156207 /nfs/dbraw/zinc/15/62/07/1132156207.db2.gz JFAZGFWXZFYQGH-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN FC1(F)CCC(CN2CCC=C(Br)C2)CC1 ZINC000838979538 1132162037 /nfs/dbraw/zinc/16/20/37/1132162037.db2.gz JSWGQSOMCNTICC-UHFFFAOYSA-N 0 1 294.183 3.796 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@H]1CCc2ccccc21 ZINC001230223681 1132162293 /nfs/dbraw/zinc/16/22/93/1132162293.db2.gz UTXVFZHHKSQYLQ-INIZCTEOSA-N 0 1 264.328 3.938 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@@H]1CCCc2cccnc21 ZINC001230223879 1132162485 /nfs/dbraw/zinc/16/24/85/1132162485.db2.gz WMBMMGKBIATWFR-OAHLLOKOSA-N 0 1 279.343 3.723 20 0 CHADMN Cc1ccc([C@H](O)CNCc2c(F)cc(C)cc2Cl)o1 ZINC000838967757 1132162807 /nfs/dbraw/zinc/16/28/07/1132162807.db2.gz YVWBGFJTVWQKKE-CQSZACIVSA-N 0 1 297.757 3.512 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@H](C)Cc1ccccc1 ZINC001230225330 1132162966 /nfs/dbraw/zinc/16/29/66/1132162966.db2.gz PSBXGOVRNPSBBE-CYBMUJFWSA-N 0 1 266.344 3.881 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@H](C)c1ncccc1F ZINC001230225530 1132163506 /nfs/dbraw/zinc/16/35/06/1132163506.db2.gz UTXSODOTKCHSBW-SNVBAGLBSA-N 0 1 271.295 3.545 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)[C@@H]1COC(C)(C)C1 ZINC001172294157 1132165760 /nfs/dbraw/zinc/16/57/60/1132165760.db2.gz VNSREERTQGLBHF-RYUDHWBXSA-N 0 1 267.800 3.900 20 0 CHADMN CC[C@H](C)OCC[C@H](C)N1CCOC[C@@H]1c1ccccc1 ZINC001172334947 1132173514 /nfs/dbraw/zinc/17/35/14/1132173514.db2.gz DUSXQAMUNKMTMO-XYJFISCASA-N 0 1 291.435 3.654 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)N1CCC[C@@H]1c1cc(C)on1 ZINC001172336520 1132175450 /nfs/dbraw/zinc/17/54/50/1132175450.db2.gz HZRNLXFOACNELI-DVOMOZLQSA-N 0 1 280.412 3.714 20 0 CHADMN CC[C@H](C)OCC[C@H](C)N1CCc2nc(Cl)ccc2C1 ZINC001172344432 1132179070 /nfs/dbraw/zinc/17/90/70/1132179070.db2.gz YAGBMLMBKINHIC-STQMWFEESA-N 0 1 296.842 3.687 20 0 CHADMN CC[C@H](CC(C)C)N1Cc2cccc(C(=O)OC)c2C1 ZINC001172407035 1132198024 /nfs/dbraw/zinc/19/80/24/1132198024.db2.gz MHUSILUXMAXLHE-CQSZACIVSA-N 0 1 275.392 3.614 20 0 CHADMN CCC[C@@H](C(=O)c1ccccc1)N(C)[C@H](C)CCOCC ZINC001172428167 1132204412 /nfs/dbraw/zinc/20/44/12/1132204412.db2.gz YRYAAFWVJFAMSS-WBVHZDCISA-N 0 1 291.435 3.785 20 0 CHADMN CC[C@@H](CC(C)C)N[C@@H](C(=O)OC(C)(C)C)C(C)C ZINC001172384838 1132209460 /nfs/dbraw/zinc/20/94/60/1132209460.db2.gz JXPCOENGXPQZTP-UONOGXRCSA-N 0 1 271.445 3.767 20 0 CHADMN Fc1cc2ncccc2cc1CN1CC[C@]2(CC2(F)F)C1 ZINC001141631685 1132216921 /nfs/dbraw/zinc/21/69/21/1132216921.db2.gz WIHFOMPLBKSIBU-HNNXBMFYSA-N 0 1 292.304 3.605 20 0 CHADMN Fc1cc2ncccc2cc1CN1CCC[C@H](C(F)F)C1 ZINC001141630978 1132217329 /nfs/dbraw/zinc/21/73/29/1132217329.db2.gz HAWGPNROTZIIDP-LBPRGKRZSA-N 0 1 294.320 3.851 20 0 CHADMN FC(F)(F)[C@H]1CCN(CCOc2cccc(Cl)c2)C1 ZINC000839533887 1132221162 /nfs/dbraw/zinc/22/11/62/1132221162.db2.gz OMHZRHUBSHICNN-JTQLQIEISA-N 0 1 293.716 3.603 20 0 CHADMN Fc1ccc2nc(C[N@H+]3CC[C@H](C(F)(F)F)C3)ccc2c1 ZINC001141649659 1132223621 /nfs/dbraw/zinc/22/36/21/1132223621.db2.gz ZDCHGLGHIOTCRS-NSHDSACASA-N 0 1 298.283 3.758 20 0 CHADMN Fc1ccc2nc(CN3CC[C@H](C(F)(F)F)C3)ccc2c1 ZINC001141649659 1132223625 /nfs/dbraw/zinc/22/36/25/1132223625.db2.gz ZDCHGLGHIOTCRS-NSHDSACASA-N 0 1 298.283 3.758 20 0 CHADMN CC[N@@H+](Cc1cccnc1)Cc1ccc2cc(F)ccc2n1 ZINC001141648847 1132223642 /nfs/dbraw/zinc/22/36/42/1132223642.db2.gz HVBKRIBVIZQWRS-UHFFFAOYSA-N 0 1 295.361 3.791 20 0 CHADMN CCN(Cc1cccnc1)Cc1ccc2cc(F)ccc2n1 ZINC001141648847 1132223649 /nfs/dbraw/zinc/22/36/49/1132223649.db2.gz HVBKRIBVIZQWRS-UHFFFAOYSA-N 0 1 295.361 3.791 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2Oc1cc2[nH]ncc2c(F)c1 ZINC001230935568 1132231083 /nfs/dbraw/zinc/23/10/83/1132231083.db2.gz RLEFTQVBLYIZRR-MRXNPFEDSA-N 0 1 286.281 3.907 20 0 CHADMN CCCN(CC)Cc1cc(Br)cc(F)c1F ZINC001141795848 1132248910 /nfs/dbraw/zinc/24/89/10/1132248910.db2.gz QLHBBRMWHYWBKR-UHFFFAOYSA-N 0 1 292.167 3.959 20 0 CHADMN CC(C)OCC[C@@H](C)N1CCc2c3ccccc3oc2C1 ZINC001172456818 1132240485 /nfs/dbraw/zinc/24/04/85/1132240485.db2.gz POMQELBHRSILIW-CQSZACIVSA-N 0 1 287.403 3.995 20 0 CHADMN CC(C)N(CN1C(=O)C2(CCC2)[C@H]1c1ccccc1)C1CC1 ZINC000839960536 1132241693 /nfs/dbraw/zinc/24/16/93/1132241693.db2.gz SVYRHFHLMNKZEN-QGZVFWFLSA-N 0 1 298.430 3.571 20 0 CHADMN C[C@@H]1CN(Cc2ccc3c(c2)Cc2ccccc2-3)[C@H](C)CO1 ZINC001141741366 1132244851 /nfs/dbraw/zinc/24/48/51/1132244851.db2.gz MOWVFESMRHHMNH-HUUCEWRRSA-N 0 1 293.410 3.867 20 0 CHADMN CCCCCC[C@@H](CCCC)NCc1nnc(C)o1 ZINC001172512725 1132258404 /nfs/dbraw/zinc/25/84/04/1132258404.db2.gz ISTSEVAPPKLRGS-CQSZACIVSA-N 0 1 267.417 3.997 20 0 CHADMN CCCCCC(=O)c1ccc(O[C@H]2CCN(C)C2)cc1 ZINC001231257829 1132276665 /nfs/dbraw/zinc/27/66/65/1132276665.db2.gz XQOZQNWBTKOZRX-INIZCTEOSA-N 0 1 275.392 3.533 20 0 CHADMN Cn1cnc2c1CN([C@@H]1CCC[C@@H](c3ccccc3)C1)CC2 ZINC001172545476 1132278644 /nfs/dbraw/zinc/27/86/44/1132278644.db2.gz AEUWMYPPSZQDHI-IAGOWNOFSA-N 0 1 295.430 3.505 20 0 CHADMN Cn1cc2c(n1)CCN([C@@H]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001172548070 1132279427 /nfs/dbraw/zinc/27/94/27/1132279427.db2.gz AIBXTOYEXREIGP-SJLPKXTDSA-N 0 1 295.430 3.505 20 0 CHADMN Cc1onc(-c2ccccc2)c1CN(C)C1CC(F)(F)C1 ZINC001141979772 1132283344 /nfs/dbraw/zinc/28/33/44/1132283344.db2.gz ZRPNGXQUIBWACF-UHFFFAOYSA-N 0 1 292.329 3.880 20 0 CHADMN CCOc1ccccc1CN1CCC[C@H](C(F)(F)F)C1 ZINC000170717062 1132285020 /nfs/dbraw/zinc/28/50/20/1132285020.db2.gz NOWXORYHESEXJG-ZDUSSCGKSA-N 0 1 287.325 3.860 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccnc(Cl)c2)nc1C ZINC000840784954 1132286607 /nfs/dbraw/zinc/28/66/07/1132286607.db2.gz WMQSAHZJCRPYDW-GFCCVEGCSA-N 0 1 275.783 3.598 20 0 CHADMN CC(C)CN(C)Cc1cc(F)c(F)cc1Br ZINC001142003050 1132290978 /nfs/dbraw/zinc/29/09/78/1132290978.db2.gz GHDXDYUWIKPSBU-UHFFFAOYSA-N 0 1 292.167 3.815 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccnc(Cl)c1 ZINC000840875495 1132299031 /nfs/dbraw/zinc/29/90/31/1132299031.db2.gz HOUSHOIZSBOOLR-MVWJERBFSA-N 0 1 256.752 3.666 20 0 CHADMN O=C(C[NH2+]C1CCC2(CCCC2)CC1)c1ccc([O-])cc1 ZINC001172728710 1132301932 /nfs/dbraw/zinc/30/19/32/1132301932.db2.gz LPRPHKWFMRGUIN-UHFFFAOYSA-N 0 1 287.403 3.668 20 0 CHADMN Cc1c(C)c(C)c(CN2CCC(=O)[C@@H](F)CC2)c(C)c1C ZINC001231491920 1132302988 /nfs/dbraw/zinc/30/29/88/1132302988.db2.gz BWNUXLRGPBSKMW-KRWDZBQOSA-N 0 1 291.410 3.732 20 0 CHADMN C[C@@H](N[C@@H](C)c1c(F)cccc1F)[C@H]1CC1(F)F ZINC000840883327 1132303203 /nfs/dbraw/zinc/30/32/03/1132303203.db2.gz VDUODEGNUBZBHS-HRDYMLBCSA-N 0 1 261.262 3.659 20 0 CHADMN Cc1cccc(CNc2nccn2C2CC2)c1OC(F)F ZINC000840886742 1132303442 /nfs/dbraw/zinc/30/34/42/1132303442.db2.gz AMYGXWOSZWPWFA-UHFFFAOYSA-N 0 1 293.317 3.740 20 0 CHADMN Fc1cc2cc(CN3C[C@@H]4C[C@@H]4C3)c(Cl)nc2cc1F ZINC001142038049 1132306347 /nfs/dbraw/zinc/30/63/47/1132306347.db2.gz MFWSJMSJXZBOQU-AOOOYVTPSA-N 0 1 294.732 3.618 20 0 CHADMN CCc1cc(CNCc2ccc(C(F)(F)F)c(C)c2)[nH]n1 ZINC000840900476 1132306558 /nfs/dbraw/zinc/30/65/58/1132306558.db2.gz XVDPHFGJGKEITC-UHFFFAOYSA-N 0 1 297.324 3.589 20 0 CHADMN Cc1c(C)c(C)c(CN2CC[C@@](C)(O)[C@@H](F)C2)c(C)c1C ZINC001231493312 1132306933 /nfs/dbraw/zinc/30/69/33/1132306933.db2.gz VCENONTYKAWDIO-ZWKOTPCHSA-N 0 1 293.426 3.524 20 0 CHADMN CC(=O)[C@H](N[C@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC001172710131 1132308696 /nfs/dbraw/zinc/30/86/96/1132308696.db2.gz RAPZGZSMTMNBBR-ROUUACIJSA-N 0 1 299.801 3.727 20 0 CHADMN CC(=O)[C@@H]1CCCN1Cc1cccc(-c2ccccc2)c1 ZINC001231512628 1132310337 /nfs/dbraw/zinc/31/03/37/1132310337.db2.gz UABHKODRFCHODX-IBGZPJMESA-N 0 1 279.383 3.907 20 0 CHADMN CC[C@H]1CCCN1Cc1ccc(Br)cc1OC ZINC001231513454 1132311113 /nfs/dbraw/zinc/31/11/13/1132311113.db2.gz FIFWPXVNMTUCOL-ZDUSSCGKSA-N 0 1 298.224 3.832 20 0 CHADMN Oc1ccc(CN2CCCCC23CC3)cc1C(F)(F)F ZINC001231523548 1132313026 /nfs/dbraw/zinc/31/30/26/1132313026.db2.gz ZPDTZGKIGMKZLI-UHFFFAOYSA-N 0 1 285.309 3.930 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Br)c[nH]2)C[C@@H]1C ZINC001231571681 1132315601 /nfs/dbraw/zinc/31/56/01/1132315601.db2.gz JNDCNJKIPWIRKB-MNOVXSKESA-N 0 1 285.229 3.645 20 0 CHADMN C[C@H]1CCCN(Cc2cc(Br)c[nH]2)C[C@H]1C ZINC001231571684 1132315830 /nfs/dbraw/zinc/31/58/30/1132315830.db2.gz JNDCNJKIPWIRKB-WDEREUQCSA-N 0 1 285.229 3.645 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)NCc1cscn1 ZINC001172837877 1132316209 /nfs/dbraw/zinc/31/62/09/1132316209.db2.gz QDCATWOWVCFZIX-SECBINFHSA-N 0 1 284.787 3.656 20 0 CHADMN c1coc(CNC2CCC(Cc3ccccc3)CC2)n1 ZINC001172815992 1132317082 /nfs/dbraw/zinc/31/70/82/1132317082.db2.gz ANMXXAWJJHENNQ-UHFFFAOYSA-N 0 1 270.376 3.566 20 0 CHADMN Brc1c[nH]c(CN2CCC3(CCCC3)C2)c1 ZINC001231576501 1132317242 /nfs/dbraw/zinc/31/72/42/1132317242.db2.gz JKMWLJCLFWWOJR-UHFFFAOYSA-N 0 1 283.213 3.543 20 0 CHADMN Brc1c[nH]c(CN2CCC3(C2)CCCCC3)c1 ZINC001231578505 1132319210 /nfs/dbraw/zinc/31/92/10/1132319210.db2.gz LHPLHKJBXKMZMM-UHFFFAOYSA-N 0 1 297.240 3.933 20 0 CHADMN Fc1cc(F)cc(N[C@@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000638219565 1132325082 /nfs/dbraw/zinc/32/50/82/1132325082.db2.gz VLCSMBSJOIHLFF-CQSZACIVSA-N 0 1 292.333 3.816 20 0 CHADMN Cc1nc(CN[C@H](C)Cc2c(F)cccc2Cl)cs1 ZINC001172837024 1132328227 /nfs/dbraw/zinc/32/82/27/1132328227.db2.gz KCQVOGRGOJBFAR-SECBINFHSA-N 0 1 298.814 3.965 20 0 CHADMN C[C@@H](Cc1c(F)cccc1Cl)NCc1nccs1 ZINC001172836708 1132328995 /nfs/dbraw/zinc/32/89/95/1132328995.db2.gz HIOJPVZEQLAAJL-VIFPVBQESA-N 0 1 284.787 3.656 20 0 CHADMN COc1cc(C)c(CN2CC3(CSC3)C2)cc1C(C)C ZINC001231628726 1132331071 /nfs/dbraw/zinc/33/10/71/1132331071.db2.gz JABWDEVFPYKSPI-UHFFFAOYSA-N 0 1 291.460 3.676 20 0 CHADMN CCc1ccc(CN2CC[C@H](Oc3ccccc3C)C2)nc1 ZINC001231640250 1132331630 /nfs/dbraw/zinc/33/16/30/1132331630.db2.gz AXPWGGWYDDKFJP-SFHVURJKSA-N 0 1 296.414 3.606 20 0 CHADMN C[C@H](Cc1ccc(F)cc1Cl)N1CCC[C@@H]1CF ZINC001172868956 1132331792 /nfs/dbraw/zinc/33/17/92/1132331792.db2.gz ANGGDCZBUGVNQN-ZWNOBZJWSA-N 0 1 273.754 3.844 20 0 CHADMN CCc1ccc(CN(C)C/C=C/c2ccccc2)nc1 ZINC001231642109 1132331864 /nfs/dbraw/zinc/33/18/64/1132331864.db2.gz QIIIFOPKDZBFFZ-JXMROGBWSA-N 0 1 266.388 3.789 20 0 CHADMN CN(Cc1coc(-c2ccccc2)n1)CC1CC(F)(F)C1 ZINC001231631181 1132331992 /nfs/dbraw/zinc/33/19/92/1132331992.db2.gz AZEQRDNCYVXUJG-UHFFFAOYSA-N 0 1 292.329 3.819 20 0 CHADMN CC(=O)C1CCN([C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC001172868160 1132331991 /nfs/dbraw/zinc/33/19/91/1132331991.db2.gz FKCPFSYLUZXNMG-NSHDSACASA-N 0 1 297.801 3.711 20 0 CHADMN Cc1sc2ccccc2c1CN1CCc2nn(C)cc2C1 ZINC001231649908 1132335264 /nfs/dbraw/zinc/33/52/64/1132335264.db2.gz SXTPDQISWGLLQR-UHFFFAOYSA-N 0 1 297.427 3.502 20 0 CHADMN Cc1ccc(CN(C)CC2(C)COC2)c(Cl)c1Cl ZINC001231667252 1132340747 /nfs/dbraw/zinc/34/07/47/1132340747.db2.gz GONCQNONDNBJGV-UHFFFAOYSA-N 0 1 288.218 3.770 20 0 CHADMN CC(C)(C)c1nc[nH]c1CN1CCC(F)(F)C(C)(C)C1 ZINC001142212886 1132341277 /nfs/dbraw/zinc/34/12/77/1132341277.db2.gz HOAKQQKOQACQRR-UHFFFAOYSA-N 0 1 285.382 3.574 20 0 CHADMN COc1cc(Cl)c(CN(CC2CC2)C2CC2)c(OC)c1 ZINC001231698601 1132346097 /nfs/dbraw/zinc/34/60/97/1132346097.db2.gz WICMZUQGOJQQQZ-UHFFFAOYSA-N 0 1 295.810 3.732 20 0 CHADMN C[C@H](CSc1ccc(Cl)cc1)NC1(CF)CC1 ZINC001172870945 1132349001 /nfs/dbraw/zinc/34/90/01/1132349001.db2.gz NDMBTKXYMQUBST-SNVBAGLBSA-N 0 1 273.804 3.912 20 0 CHADMN C[C@H]1C[C@H](C)C[NH+](Cc2ccc(Cl)c([O-])c2)C1 ZINC001231736111 1132351208 /nfs/dbraw/zinc/35/12/08/1132351208.db2.gz DRJQDRWYLJJEQW-QWRGUYRKSA-N 0 1 253.773 3.524 20 0 CHADMN C[N@H+](Cc1ccc(Cl)c(O)c1)CC1CCCC1 ZINC001231736994 1132351228 /nfs/dbraw/zinc/35/12/28/1132351228.db2.gz LZMNIQGGLNYSHN-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)c([O-])c1)CC1CCCC1 ZINC001231736994 1132351237 /nfs/dbraw/zinc/35/12/37/1132351237.db2.gz LZMNIQGGLNYSHN-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN C[N@H+](Cc1ccc(Cl)c([O-])c1)CC1CCCC1 ZINC001231736994 1132351245 /nfs/dbraw/zinc/35/12/45/1132351245.db2.gz LZMNIQGGLNYSHN-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN CCC1CC[NH+](Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231733584 1132351310 /nfs/dbraw/zinc/35/13/10/1132351310.db2.gz ZKLDPCJVQTVBRV-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN CCC1CCN(Cc2ccc(Cl)c(O)c2)CC1 ZINC001231733584 1132351319 /nfs/dbraw/zinc/35/13/19/1132351319.db2.gz ZKLDPCJVQTVBRV-UHFFFAOYSA-N 0 1 253.773 3.668 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([O-])c2)C[C@@H]1C ZINC001231733277 1132351452 /nfs/dbraw/zinc/35/14/52/1132351452.db2.gz QFHVMCYAQWXOQF-NEPJUHHUSA-N 0 1 267.800 3.914 20 0 CHADMN Cc1cc(CN[C@@H](C)CSc2ccc(Cl)cc2)no1 ZINC001172872521 1132351939 /nfs/dbraw/zinc/35/19/39/1132351939.db2.gz ZNANRXKVGOSIFO-JTQLQIEISA-N 0 1 296.823 3.907 20 0 CHADMN CCCCc1ccc(CN2CCOC[C@@H]2C2CC2)cc1 ZINC001231781401 1132359385 /nfs/dbraw/zinc/35/93/85/1132359385.db2.gz GPEMCDJJOPKSSY-GOSISDBHSA-N 0 1 273.420 3.640 20 0 CHADMN CO[C@H]1CCC[C@@H](N(CC(=O)c2ccccc2)C(C)C)C1 ZINC001172941244 1132367803 /nfs/dbraw/zinc/36/78/03/1132367803.db2.gz DRIQFQONDQHAQT-SJORKVTESA-N 0 1 289.419 3.537 20 0 CHADMN COc1cccc(Nc2ccc3[nH]c(C)nc3c2)c1C ZINC001213074439 1132369333 /nfs/dbraw/zinc/36/93/33/1132369333.db2.gz USBNNXMVDYGRGP-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN C[C@H]1COCCN1Cc1ccccc1-c1ccccc1 ZINC001142330981 1132371477 /nfs/dbraw/zinc/37/14/77/1132371477.db2.gz CHCKNDFENIUEEU-HNNXBMFYSA-N 0 1 267.372 3.574 20 0 CHADMN FC1CCN(Cc2ccc(OC3CCCCC3)nc2)CC1 ZINC001231873683 1132383654 /nfs/dbraw/zinc/38/36/54/1132383654.db2.gz OFVDEQVNPMDLEU-UHFFFAOYSA-N 0 1 292.398 3.727 20 0 CHADMN CCCOC1CCC([N@H+]2CCCC(F)(F)[C@@H](F)C2)CC1 ZINC001173094856 1132386203 /nfs/dbraw/zinc/38/62/03/1132386203.db2.gz BKJHSJWEPJBYGR-RUXDESIVSA-N 0 1 293.373 3.793 20 0 CHADMN Cc1coc(CNC2CCC3(CCCCC3)CC2)n1 ZINC001173115474 1132396135 /nfs/dbraw/zinc/39/61/35/1132396135.db2.gz DBUFTOBDANJGGA-UHFFFAOYSA-N 0 1 262.397 3.966 20 0 CHADMN C[C@H]1CCC[N@H+]1Cc1cnc(C(F)(F)F)cc1Cl ZINC001231898395 1132397120 /nfs/dbraw/zinc/39/71/20/1132397120.db2.gz LOGIVXDHTRNGEG-QMMMGPOBSA-N 0 1 278.705 3.738 20 0 CHADMN C[C@H]1CCCN1Cc1cnc(C(F)(F)F)cc1Cl ZINC001231898395 1132397126 /nfs/dbraw/zinc/39/71/26/1132397126.db2.gz LOGIVXDHTRNGEG-QMMMGPOBSA-N 0 1 278.705 3.738 20 0 CHADMN CCOC1CN(C2CCC3(CCCCC3)CC2)C1 ZINC001173117314 1132397680 /nfs/dbraw/zinc/39/76/80/1132397680.db2.gz HCOMUOFECJGFMA-UHFFFAOYSA-N 0 1 251.414 3.600 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc(F)c(C)c2)cc1C ZINC001231931545 1132401917 /nfs/dbraw/zinc/40/19/17/1132401917.db2.gz WSTZUYRXXLCGIC-UHFFFAOYSA-N 0 1 272.367 3.778 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1Cc1ncc(Br)cc1C ZINC001232049648 1132414690 /nfs/dbraw/zinc/41/46/90/1132414690.db2.gz AJYWMKOOIHLWPT-CYBMUJFWSA-N 0 1 297.240 3.917 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ncc(Br)cc1C ZINC001232049648 1132414694 /nfs/dbraw/zinc/41/46/94/1132414694.db2.gz AJYWMKOOIHLWPT-CYBMUJFWSA-N 0 1 297.240 3.917 20 0 CHADMN Cc1cc(Br)cnc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001232049966 1132414752 /nfs/dbraw/zinc/41/47/52/1132414752.db2.gz LIMCBTSPVKVGBJ-PHIMTYICSA-N 0 1 297.240 3.630 20 0 CHADMN Cc1cc(Br)cnc1CN1C[C@H](C)C[C@H](C)C1 ZINC001232049966 1132414755 /nfs/dbraw/zinc/41/47/55/1132414755.db2.gz LIMCBTSPVKVGBJ-PHIMTYICSA-N 0 1 297.240 3.630 20 0 CHADMN Oc1cncc(CN2CCCC[C@H]2c2ccccc2)c1 ZINC001232038865 1132415079 /nfs/dbraw/zinc/41/50/79/1132415079.db2.gz JZNRISCEHBZWOS-KRWDZBQOSA-N 0 1 268.360 3.514 20 0 CHADMN FC(F)(F)c1cccc(CN2CCCCCCC2)n1 ZINC001232070832 1132419090 /nfs/dbraw/zinc/41/90/90/1132419090.db2.gz AEHVHPOCLBYNAI-UHFFFAOYSA-N 0 1 272.314 3.867 20 0 CHADMN CCc1ccc(C[C@H](C)N(C)CC(=O)c2ccccc2)cc1 ZINC001173248570 1132419311 /nfs/dbraw/zinc/41/93/11/1132419311.db2.gz UUMKGUJLBBSAGS-INIZCTEOSA-N 0 1 295.426 3.995 20 0 CHADMN Fc1ccc(OCc2ccccc2)c(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC001232116785 1132426072 /nfs/dbraw/zinc/42/60/72/1132426072.db2.gz QBOURUNXDOLEBZ-IYBDPMFKSA-N 0 1 297.373 3.856 20 0 CHADMN CCCC[C@H](CC(C)C)N1CCC[C@H](F)C(=O)C1 ZINC001173258403 1132426487 /nfs/dbraw/zinc/42/64/87/1132426487.db2.gz TYPCYIPRGSAOBF-KGLIPLIRSA-N 0 1 257.393 3.594 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc(-c3cccnc3)o2)cc1 ZINC001232137008 1132427136 /nfs/dbraw/zinc/42/71/36/1132427136.db2.gz GDDOEZRLGOLUAB-UHFFFAOYSA-N 0 1 293.370 3.677 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1c(Cl)nccc1OC ZINC001232153858 1132428726 /nfs/dbraw/zinc/42/87/26/1132428726.db2.gz YNSMSQNKMVVCRY-GFCCVEGCSA-N 0 1 282.815 3.898 20 0 CHADMN Cc1cnc(CN2[C@H](C)CCC[C@@H]2C)c(Br)c1 ZINC001232172573 1132431476 /nfs/dbraw/zinc/43/14/76/1132431476.db2.gz DWPIJZGKRMZKGP-TXEJJXNPSA-N 0 1 297.240 3.915 20 0 CHADMN CCN(Cc1cn(C)nc1C1CC1)Cc1ccc(C)c(C)c1 ZINC001232172574 1132431595 /nfs/dbraw/zinc/43/15/95/1132431595.db2.gz XGLKQWBJYGYAHT-UHFFFAOYSA-N 0 1 297.446 3.936 20 0 CHADMN Cc1scnc1CN1CCC(Cc2ccccc2)CC1 ZINC001232203633 1132432995 /nfs/dbraw/zinc/43/29/95/1132432995.db2.gz DLEUIYIDYCZVBF-UHFFFAOYSA-N 0 1 286.444 3.906 20 0 CHADMN CC(=O)Nc1ccc(CN(Cc2ccco2)C2CC2)c(C)c1 ZINC001232187664 1132433580 /nfs/dbraw/zinc/43/35/80/1132433580.db2.gz PSPZNBOSOYSOJB-UHFFFAOYSA-N 0 1 298.386 3.711 20 0 CHADMN CC[C@H]1CC[C@@H](NCc2nc(SC)ncc2Cl)C1 ZINC001173270926 1132435031 /nfs/dbraw/zinc/43/50/31/1132435031.db2.gz DGNLMORUNSVDGF-VHSXEESVSA-N 0 1 285.844 3.520 20 0 CHADMN Cc1scnc1CN1CC[C@H](c2cccc(F)c2)C1 ZINC001232206505 1132435814 /nfs/dbraw/zinc/43/58/14/1132435814.db2.gz JVHWHTFPAOCBLD-ZDUSSCGKSA-N 0 1 276.380 3.580 20 0 CHADMN Cc1ncccc1CN(C)Cc1ccnc2c(F)cccc12 ZINC001232214466 1132437252 /nfs/dbraw/zinc/43/72/52/1132437252.db2.gz UWUMJVNYQLJRSD-UHFFFAOYSA-N 0 1 295.361 3.709 20 0 CHADMN CCCOC1CCN(Cc2ccnc(C(C)(C)C)c2)CC1 ZINC001232215827 1132437317 /nfs/dbraw/zinc/43/73/17/1132437317.db2.gz JGBUAWQWBQFCKJ-UHFFFAOYSA-N 0 1 290.451 3.770 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cnsc1 ZINC001232229132 1132438366 /nfs/dbraw/zinc/43/83/66/1132438366.db2.gz FCYRCBPQRJBDAS-HNNXBMFYSA-N 0 1 258.390 3.653 20 0 CHADMN CCCCN(Cc1cnsc1)Cc1ccccc1 ZINC001232227862 1132439216 /nfs/dbraw/zinc/43/92/16/1132439216.db2.gz UORZMDARMLGBCU-UHFFFAOYSA-N 0 1 260.406 3.945 20 0 CHADMN CC(C)(C)c1cc(CN2CC[C@@H](C(F)(F)F)C2)ccn1 ZINC001232218111 1132439550 /nfs/dbraw/zinc/43/95/50/1132439550.db2.gz VIUZOOTUBHPMJU-GFCCVEGCSA-N 0 1 286.341 3.763 20 0 CHADMN FC1(F)CCN(Cc2cccn2Cc2ccccc2)CC1 ZINC001232232703 1132440068 /nfs/dbraw/zinc/44/00/68/1132440068.db2.gz XECDNMNTIAYDHY-UHFFFAOYSA-N 0 1 290.357 3.768 20 0 CHADMN CCCCC[C@@H](c1nc(C2(N)CCC2)no1)C(C)C ZINC000842617838 1132444420 /nfs/dbraw/zinc/44/44/20/1132444420.db2.gz WWNAUOQOZHTRQY-GFCCVEGCSA-N 0 1 265.401 3.727 20 0 CHADMN CCCCCC(C)(C)c1nc([C@H](N)CC(C)C)no1 ZINC000842586313 1132444747 /nfs/dbraw/zinc/44/47/47/1132444747.db2.gz PWSOOPMNIFJEJD-GFCCVEGCSA-N 0 1 267.417 3.973 20 0 CHADMN CCSC[C@@H](C)NCc1coc(-c2ccc(F)cc2)n1 ZINC001173298792 1132445672 /nfs/dbraw/zinc/44/56/72/1132445672.db2.gz RRMGZWMWFSMBRI-LLVKDONJSA-N 0 1 294.395 3.712 20 0 CHADMN CCCCCC[C@H](C)c1nc([C@H]2CCCN2)no1 ZINC000842641471 1132447946 /nfs/dbraw/zinc/44/79/46/1132447946.db2.gz WINOZFJMZOMJCC-NWDGAFQWSA-N 0 1 251.374 3.568 20 0 CHADMN CCSC[C@H](C)N(C)Cc1ccccc1Cl ZINC001173307086 1132447920 /nfs/dbraw/zinc/44/79/20/1132447920.db2.gz RJNIGBKKOKYTEV-NSHDSACASA-N 0 1 257.830 3.913 20 0 CHADMN CCOc1ncc(CN2CCC(F)(F)C(C)(C)C2)cc1C ZINC001232303790 1132450787 /nfs/dbraw/zinc/45/07/87/1132450787.db2.gz ATWQNLMACLIYNK-UHFFFAOYSA-N 0 1 298.377 3.656 20 0 CHADMN Cc1cc(Br)ncc1CN1CCCCC[C@@H]1C ZINC001232315539 1132452838 /nfs/dbraw/zinc/45/28/38/1132452838.db2.gz BWYMFFYOZKGHPD-LBPRGKRZSA-N 0 1 297.240 3.917 20 0 CHADMN CC(C)=CCNCc1cc(Br)cnc1Cl ZINC000842701258 1132453416 /nfs/dbraw/zinc/45/34/16/1132453416.db2.gz WTMDJRVEEFXIJP-UHFFFAOYSA-N 0 1 289.604 3.553 20 0 CHADMN CC[C@@H]1CC[C@@H](N2CCOC[C@H]2c2ccc(F)cc2)C1 ZINC001173282473 1132454289 /nfs/dbraw/zinc/45/42/89/1132454289.db2.gz GNYYELBKJRXJQI-XYPHTWIQSA-N 0 1 277.383 3.778 20 0 CHADMN CSc1ccc(CN(C)Cc2ccc(F)cc2)cn1 ZINC001232324454 1132455155 /nfs/dbraw/zinc/45/51/55/1132455155.db2.gz KWGBPVHXPPXJQK-UHFFFAOYSA-N 0 1 276.380 3.575 20 0 CHADMN COc1ccc(CN2Cc3ccccc3C(C)(C)C2)c(C)n1 ZINC001232336717 1132455936 /nfs/dbraw/zinc/45/59/36/1132455936.db2.gz UGJNVPLPQOCCAY-UHFFFAOYSA-N 0 1 296.414 3.692 20 0 CHADMN COc1cc(CN2CCC[C@H](C)C2)c(OC)cc1Cl ZINC001232370144 1132459881 /nfs/dbraw/zinc/45/98/81/1132459881.db2.gz KPSPTHBRQCAFAH-NSHDSACASA-N 0 1 283.799 3.589 20 0 CHADMN CCOc1ccc(OC)cc1CN1CCC(F)(F)[C@H](C)C1 ZINC001232381224 1132462771 /nfs/dbraw/zinc/46/27/71/1132462771.db2.gz ULCIVAIIPPCSJW-GFCCVEGCSA-N 0 1 299.361 3.571 20 0 CHADMN Cc1cccc(C[N@H+]2CC[C@](C)(CF)C2)c1OC(C)C ZINC001232389291 1132463888 /nfs/dbraw/zinc/46/38/88/1132463888.db2.gz GPFGQNILYVLYLN-QGZVFWFLSA-N 0 1 279.399 3.964 20 0 CHADMN CC(C)(C)C1CCN(Cc2cn3cc(F)ccc3n2)CC1 ZINC001232409402 1132466855 /nfs/dbraw/zinc/46/68/55/1132466855.db2.gz IVLVPBWWPHSFOT-UHFFFAOYSA-N 0 1 289.398 3.732 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)Cc1n[nH]c2c1CCC2 ZINC001232430517 1132468805 /nfs/dbraw/zinc/46/88/05/1132468805.db2.gz ZOUPDMSHYXEZEI-NSHDSACASA-N 0 1 289.810 3.745 20 0 CHADMN CN(Cc1[nH]nc2c1CCC2)Cc1cccc2ccccc21 ZINC001232427191 1132469626 /nfs/dbraw/zinc/46/96/26/1132469626.db2.gz QDDYYGCKXKHLFI-UHFFFAOYSA-N 0 1 291.398 3.684 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(C(F)(F)F)o2)[C@H]1C ZINC001232443726 1132472267 /nfs/dbraw/zinc/47/22/67/1132472267.db2.gz HQWMHLCHZWQINV-ZJUUUORDSA-N 0 1 261.287 3.919 20 0 CHADMN Cc1ncc(CN2CCCC[C@@H]2c2ccccc2F)[nH]1 ZINC001232461693 1132472775 /nfs/dbraw/zinc/47/27/75/1132472775.db2.gz DAXCCTFHCLVNDE-MRXNPFEDSA-N 0 1 273.355 3.584 20 0 CHADMN C[C@H]1CN(Cc2c[nH]c3nccc(Cl)c23)CCC1(F)F ZINC001232456051 1132472857 /nfs/dbraw/zinc/47/28/57/1132472857.db2.gz MBJAJEDZEKWWRY-VIFPVBQESA-N 0 1 299.752 3.693 20 0 CHADMN Cc1nc(CN2CCC(c3ccc(Cl)cc3)CC2)c[nH]1 ZINC001232459201 1132473748 /nfs/dbraw/zinc/47/37/48/1132473748.db2.gz ALHINDMVPNNUAL-UHFFFAOYSA-N 0 1 289.810 3.751 20 0 CHADMN CCc1csc(CN2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC001232475491 1132475335 /nfs/dbraw/zinc/47/53/35/1132475335.db2.gz NTJZBHUZQJSFBF-CYBMUJFWSA-N 0 1 290.407 3.834 20 0 CHADMN CCc1csc(CN2CCC3(CC[C@@H](F)C3)CC2)n1 ZINC001232475770 1132475839 /nfs/dbraw/zinc/47/58/39/1132475839.db2.gz REZZRBYZVFXARY-GFCCVEGCSA-N 0 1 282.428 3.810 20 0 CHADMN COc1cc(Cl)ccc1CN1CC[C@@](C)(CF)C1 ZINC001232496412 1132479237 /nfs/dbraw/zinc/47/92/37/1132479237.db2.gz PTMOZRXRIXFKIV-AWEZNQCLSA-N 0 1 271.763 3.530 20 0 CHADMN Fc1ccnc(CN2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC001232495405 1132479551 /nfs/dbraw/zinc/47/95/51/1132479551.db2.gz ZWQHRHDQMFXSCD-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN C[C@@H]1Cc2ccccc2C[N@H+]1C1Cc2cc(F)c(F)cc2C1 ZINC001173482468 1132486136 /nfs/dbraw/zinc/48/61/36/1132486136.db2.gz HDLJFGICXXZXAG-GFCCVEGCSA-N 0 1 299.364 3.879 20 0 CHADMN C[C@@H]1CCN(Cc2occc2Br)[C@H](C)C1 ZINC001143130918 1132505871 /nfs/dbraw/zinc/50/58/71/1132505871.db2.gz NEXDVDDDGHRQLU-NXEZZACHSA-N 0 1 272.186 3.663 20 0 CHADMN CCOc1ccnc(CN(Cc2ccccc2)C(C)C)c1 ZINC001232578284 1132489161 /nfs/dbraw/zinc/48/91/61/1132489161.db2.gz AGTQKUPMVHPPEP-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN COC1CN([C@@H](C)CCc2ccc(Cl)c(Cl)c2)C1 ZINC001173546061 1132490821 /nfs/dbraw/zinc/49/08/21/1132490821.db2.gz FOZMPZWSQXORKH-JTQLQIEISA-N 0 1 288.218 3.645 20 0 CHADMN CCOC(=O)c1ccc(CN(C)C(C)(C)C)c(Cl)c1 ZINC001232595956 1132491637 /nfs/dbraw/zinc/49/16/37/1132491637.db2.gz PBQOKEDJQVDDQC-UHFFFAOYSA-N 0 1 283.799 3.747 20 0 CHADMN CN(Cc1ccc2ccsc2c1)Cc1ccccn1 ZINC001232609980 1132493169 /nfs/dbraw/zinc/49/31/69/1132493169.db2.gz BSAGFJWPWYWADI-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN Cn1nc(-c2ccccc2)cc1CN1C2CCCC1CCC2 ZINC001143017068 1132494678 /nfs/dbraw/zinc/49/46/78/1132494678.db2.gz LCRQYAIIPVTJFQ-UHFFFAOYSA-N 0 1 295.430 3.994 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1ccc2nccn2c1 ZINC001143027175 1132495044 /nfs/dbraw/zinc/49/50/44/1132495044.db2.gz LWANPXOFTPALOQ-AWEZNQCLSA-N 0 1 295.386 3.536 20 0 CHADMN COc1cccc(C)c1CN(C)Cc1cccc(F)c1 ZINC001232619837 1132496677 /nfs/dbraw/zinc/49/66/77/1132496677.db2.gz HRWITQWQUUFRRN-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN COc1ccc(CN(C)Cc2c(C)cccc2OC)cc1 ZINC001232621116 1132497167 /nfs/dbraw/zinc/49/71/67/1132497167.db2.gz XOFWPCZUPKDRTP-UHFFFAOYSA-N 0 1 285.387 3.644 20 0 CHADMN CCCCCC[C@@H](C)c1nc([C@@H](N)C(C)C)no1 ZINC000843148997 1132497813 /nfs/dbraw/zinc/49/78/13/1132497813.db2.gz HMGIXFKGHIRXMV-NEPJUHHUSA-N 0 1 253.390 3.799 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2cccc(-c3ccoc3)c2)n1 ZINC000843154134 1132498388 /nfs/dbraw/zinc/49/83/88/1132498388.db2.gz XUGZWSXJZQYRIT-AWEZNQCLSA-N 0 1 283.331 3.652 20 0 CHADMN COc1cccc(C)c1CN(C)Cc1cccs1 ZINC001232628480 1132498492 /nfs/dbraw/zinc/49/84/92/1132498492.db2.gz WMLBEDUBBKHMIV-UHFFFAOYSA-N 0 1 261.390 3.697 20 0 CHADMN C/C(=C\c1ccccc1Cl)c1nc([C@@H](N)C(C)C)no1 ZINC000843150461 1132498595 /nfs/dbraw/zinc/49/85/95/1132498595.db2.gz UDHQAEMPXMPUDE-FROQITRMSA-N 0 1 291.782 3.939 20 0 CHADMN C/C(=C/c1ccccc1Cl)c1nc([C@@H](N)C(C)C)no1 ZINC000843150464 1132498680 /nfs/dbraw/zinc/49/86/80/1132498680.db2.gz UDHQAEMPXMPUDE-KJJQSCHISA-N 0 1 291.782 3.939 20 0 CHADMN FC1(F)CC2(CN(Cc3cccc4c3CCCC4)C2)C1 ZINC001232634886 1132499077 /nfs/dbraw/zinc/49/90/77/1132499077.db2.gz ZKBSYPAYNUUJNY-UHFFFAOYSA-N 0 1 277.358 3.797 20 0 CHADMN CC(C)[C@@H](N)c1noc(CCc2ccc3ccccc3c2)n1 ZINC000843150663 1132499144 /nfs/dbraw/zinc/49/91/44/1132499144.db2.gz KVQLYACWRAFSRN-QGZVFWFLSA-N 0 1 295.386 3.664 20 0 CHADMN COCC[N@H+](Cc1ccc(Cl)c([O-])c1Cl)C(C)C ZINC001232630001 1132499291 /nfs/dbraw/zinc/49/92/91/1132499291.db2.gz FAQDUPBXFQZODF-UHFFFAOYSA-N 0 1 292.206 3.556 20 0 CHADMN COCC[N@@H+](Cc1ccc(Cl)c([O-])c1Cl)C(C)C ZINC001232630001 1132499293 /nfs/dbraw/zinc/49/92/93/1132499293.db2.gz FAQDUPBXFQZODF-UHFFFAOYSA-N 0 1 292.206 3.556 20 0 CHADMN CC(C)c1ccc(Cc2noc(-c3ccc(CN)o3)n2)cc1 ZINC000843176971 1132499864 /nfs/dbraw/zinc/49/98/64/1132499864.db2.gz YCCCXKCZMMIHMN-UHFFFAOYSA-N 0 1 297.358 3.503 20 0 CHADMN CCCN[C@@H](C)c1nc(Cc2c(C)[nH]c3ccccc32)no1 ZINC000843185058 1132500698 /nfs/dbraw/zinc/50/06/98/1132500698.db2.gz MVGAROQNBZOCKF-LBPRGKRZSA-N 0 1 298.390 3.511 20 0 CHADMN CNc1ccccc1CN1Cc2cccc(C)c2C1 ZINC001232667080 1132501641 /nfs/dbraw/zinc/50/16/41/1132501641.db2.gz RGZSYJCCFXCTJO-UHFFFAOYSA-N 0 1 252.361 3.553 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2cc(Cl)ccc2C)no1 ZINC000843186464 1132501673 /nfs/dbraw/zinc/50/16/73/1132501673.db2.gz WJTBKRDDXWMJOI-JTQLQIEISA-N 0 1 279.771 3.759 20 0 CHADMN CCCN[C@@H](C)c1nc([C@@H](C)c2c(F)cccc2F)no1 ZINC000843189108 1132501801 /nfs/dbraw/zinc/50/18/01/1132501801.db2.gz KKIFMCTTWNYAFH-UWVGGRQHSA-N 0 1 295.333 3.560 20 0 CHADMN Cc1nc(CN2C[C@H](C)C[C@H](C)C2)ccc1Br ZINC001232665695 1132501851 /nfs/dbraw/zinc/50/18/51/1132501851.db2.gz PMOQZWSIUSBSQL-PHIMTYICSA-N 0 1 297.240 3.630 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc([C@H](C)C(C)(C)C)no1 ZINC000843190350 1132502299 /nfs/dbraw/zinc/50/22/99/1132502299.db2.gz YFQGMASXBPSPHD-QWRGUYRKSA-N 0 1 267.417 3.916 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2cc3cc(C)ccc3o2)no1 ZINC000843225938 1132506329 /nfs/dbraw/zinc/50/63/29/1132506329.db2.gz PMGWZJJDJBOYDM-NSHDSACASA-N 0 1 285.347 3.852 20 0 CHADMN CCCCCN(C)Cc1c(OC)cc(C)cc1OC ZINC001143133660 1132506359 /nfs/dbraw/zinc/50/63/59/1132506359.db2.gz YVRYCDJHEGXBPZ-UHFFFAOYSA-N 0 1 265.397 3.634 20 0 CHADMN CCCN[C@H](C)c1nc(C2(c3cc(C)cc(C)c3)CC2)no1 ZINC000843238906 1132507378 /nfs/dbraw/zinc/50/73/78/1132507378.db2.gz VVONQGZJVVBFMW-CQSZACIVSA-N 0 1 299.418 3.827 20 0 CHADMN CCOC1CN(C2CCC3(CCc4ccccc43)CC2)C1 ZINC001173687379 1132509780 /nfs/dbraw/zinc/50/97/80/1132509780.db2.gz GVMDMPRWVDDWMB-UHFFFAOYSA-N 0 1 285.431 3.534 20 0 CHADMN c1nc2cccc(CN3Cc4ccccc4C3)c2s1 ZINC001232734480 1132511174 /nfs/dbraw/zinc/51/11/74/1132511174.db2.gz RDVCJJKBTJVFNR-UHFFFAOYSA-N 0 1 266.369 3.812 20 0 CHADMN CCC1CCN(Cc2ccnc(Cl)c2C)CC1 ZINC001232752154 1132515688 /nfs/dbraw/zinc/51/56/88/1132515688.db2.gz RGEGNKHWPQPPIT-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN Cc1cc(CN2CC[C@H](c3ccccn3)C2)c(F)cc1F ZINC001232781884 1132519761 /nfs/dbraw/zinc/51/97/61/1132519761.db2.gz BNVWPAMBAJUYBP-ZDUSSCGKSA-N 0 1 288.341 3.658 20 0 CHADMN [O-]c1cccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1Cl ZINC001232786014 1132522206 /nfs/dbraw/zinc/52/22/06/1132522206.db2.gz NPTLLMBXLAWQOX-NEPJUHHUSA-N 0 1 265.784 3.668 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cc(O)cc(OC)c1 ZINC001232806190 1132523249 /nfs/dbraw/zinc/52/32/49/1132523249.db2.gz BLOFKQMGVVCQFW-LJQANCHMSA-N 0 1 297.398 3.910 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H](C)[C@@H]2C)c(F)c1F ZINC001143276821 1132528764 /nfs/dbraw/zinc/52/87/64/1132528764.db2.gz VRNRXJDZGAMZPW-NEPJUHHUSA-N 0 1 283.362 3.984 20 0 CHADMN Brc1coc(CN2CC[C@@H]3CCC[C@H]3C2)c1 ZINC001232851518 1132530249 /nfs/dbraw/zinc/53/02/49/1132530249.db2.gz DTGVENPDHFPLCY-QWRGUYRKSA-N 0 1 284.197 3.664 20 0 CHADMN Fc1cc(CN2CCCC[C@@H]2C2CCC2)c(F)cn1 ZINC000843437357 1132533971 /nfs/dbraw/zinc/53/39/71/1132533971.db2.gz DUXOYKJIIGUZID-CQSZACIVSA-N 0 1 266.335 3.514 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(C)cc1 ZINC001173801052 1132534843 /nfs/dbraw/zinc/53/48/43/1132534843.db2.gz OBJHODXZWNIZES-UHFFFAOYSA-N 0 1 255.296 3.834 20 0 CHADMN Cc1cccc(Nc2cc(F)ccc2N2CCN(C)CC2)c1 ZINC001173808151 1132541590 /nfs/dbraw/zinc/54/15/90/1132541590.db2.gz OCQUCPLRVZLZQE-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN CC(C)Oc1ncc(Cl)cc1CN(C)C(C)(C)C ZINC001233170723 1132576655 /nfs/dbraw/zinc/57/66/55/1132576655.db2.gz JXCVDSYQHMMQNM-UHFFFAOYSA-N 0 1 270.804 3.753 20 0 CHADMN FC(F)(F)C1CCN(Cc2ccc3ncoc3c2)CC1 ZINC001232937642 1132544179 /nfs/dbraw/zinc/54/41/79/1132544179.db2.gz GBXHIKSBCZNOLY-UHFFFAOYSA-N 0 1 284.281 3.602 20 0 CHADMN CCCN(CCOC)Cc1c(Cl)cccc1SC ZINC001233350854 1132608171 /nfs/dbraw/zinc/60/81/71/1132608171.db2.gz WPUUDDARMMNDRJ-UHFFFAOYSA-N 0 1 287.856 3.920 20 0 CHADMN c1nc2ccc(CN3CCC[C@@H]3c3cccnc3)cc2o1 ZINC001232939969 1132546615 /nfs/dbraw/zinc/54/66/15/1132546615.db2.gz VWPSVNGRMUDZAB-MRXNPFEDSA-N 0 1 279.343 3.560 20 0 CHADMN c1nc2ccc(CN3CC[C@@H]3c3ccccc3)cc2o1 ZINC001232945570 1132548324 /nfs/dbraw/zinc/54/83/24/1132548324.db2.gz XAYLFQXXZFCAPQ-MRXNPFEDSA-N 0 1 264.328 3.775 20 0 CHADMN CCCC[C@H](CCC)CNC(=O)c1[nH]nc2c1CCCC2 ZINC001149845396 1132549117 /nfs/dbraw/zinc/54/91/17/1132549117.db2.gz UTLQYTQTBZWOKQ-ZDUSSCGKSA-N 0 1 291.439 3.625 20 0 CHADMN Nc1cccc2c1N(c1ccc(Cl)c(O)c1F)CCC2 ZINC001214804510 1132554727 /nfs/dbraw/zinc/55/47/27/1132554727.db2.gz VBJPDWIKIUKRGP-UHFFFAOYSA-N 0 1 292.741 3.851 20 0 CHADMN c1cnc([C@H]2CCCN2Cc2ccc(C3CC3)cc2)cn1 ZINC001232983925 1132555380 /nfs/dbraw/zinc/55/53/80/1132555380.db2.gz UQXBGKGAJHVPSO-GOSISDBHSA-N 0 1 279.387 3.691 20 0 CHADMN Cc1ncc(F)cc1CN(C)[C@@H]1CCc2ccccc21 ZINC001232991513 1132557888 /nfs/dbraw/zinc/55/78/88/1132557888.db2.gz CLRUQEOIPGVTKW-QGZVFWFLSA-N 0 1 270.351 3.648 20 0 CHADMN Cc1cc(C)c(CN2CCSC[C@@H]2c2ccccc2)cn1 ZINC001233007022 1132562662 /nfs/dbraw/zinc/56/26/62/1132562662.db2.gz JUKGSJOJQQTMGJ-GOSISDBHSA-N 0 1 298.455 3.989 20 0 CHADMN CCN(Cc1cccs1)Cc1cnc(C)cc1C ZINC001233011246 1132563540 /nfs/dbraw/zinc/56/35/40/1132563540.db2.gz FWTQXICJTWHXJB-UHFFFAOYSA-N 0 1 260.406 3.782 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1cc(Cl)ncc1O ZINC001233032571 1132564378 /nfs/dbraw/zinc/56/43/78/1132564378.db2.gz LRLYHOQJESGAPI-LLVKDONJSA-N 0 1 288.778 3.560 20 0 CHADMN CCCCCC[C@](C)(CCC)C(=O)NC12CCN(CC1)C2 ZINC001151416280 1132568140 /nfs/dbraw/zinc/56/81/40/1132568140.db2.gz OFQOJQKYKWTNMC-KRWDZBQOSA-N 0 1 294.483 3.728 20 0 CHADMN O=c1ccn(-c2ccc(Nc3ccc(F)c(F)c3)cc2)[nH]1 ZINC001173868808 1132571314 /nfs/dbraw/zinc/57/13/14/1132571314.db2.gz BXDOBCSWHLIGRC-UHFFFAOYSA-N 0 1 287.269 3.600 20 0 CHADMN Cc1cccc(CN(C)Cc2[nH]nc3cc(F)ccc32)c1 ZINC001233119498 1132572904 /nfs/dbraw/zinc/57/29/04/1132572904.db2.gz DMLVOHAHCHCSCF-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1[nH]nc2cc(F)ccc21 ZINC001233120222 1132573140 /nfs/dbraw/zinc/57/31/40/1132573140.db2.gz WSNLRACDAOOYSH-LBPRGKRZSA-N 0 1 295.361 3.821 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1cnc(C)c(C)c1 ZINC001233161216 1132574401 /nfs/dbraw/zinc/57/44/01/1132574401.db2.gz XFRGALJOXBTSHO-OAHLLOKOSA-N 0 1 284.403 3.900 20 0 CHADMN CN1CCN(c2ccc(NC=Cc3ccccc3)cc2)CC1 ZINC001173872357 1132575040 /nfs/dbraw/zinc/57/50/40/1132575040.db2.gz KJBFLDNONKPBNE-VAWYXSNFSA-N 0 1 293.414 3.521 20 0 CHADMN O=C(NCCCCC1CCCCC1)c1ccn2cncc2c1 ZINC001151909721 1132576036 /nfs/dbraw/zinc/57/60/36/1132576036.db2.gz KLFHCIIEDXVWLW-UHFFFAOYSA-N 0 1 299.418 3.815 20 0 CHADMN CC[C@H]1CCCN1Cc1cc(Cl)cnc1OC(C)C ZINC001233166426 1132577854 /nfs/dbraw/zinc/57/78/54/1132577854.db2.gz IFNNEXCLCBNOIA-AWEZNQCLSA-N 0 1 282.815 3.897 20 0 CHADMN C[C@]1(O)CCCCN(Cc2csc(C(F)(F)F)c2)C1 ZINC001233174516 1132578176 /nfs/dbraw/zinc/57/81/76/1132578176.db2.gz OJADUHYNRYMVQA-LBPRGKRZSA-N 0 1 293.354 3.504 20 0 CHADMN Cc1c[nH]c(=O)c(CN(C)[C@@H](C)c2ccccc2Cl)c1 ZINC001233197448 1132580008 /nfs/dbraw/zinc/58/00/08/1132580008.db2.gz GLMKPNHGPPLQDC-LBPRGKRZSA-N 0 1 290.794 3.942 20 0 CHADMN CN(CCc1cccnc1)Cc1ccc(Cl)c(F)c1F ZINC001233210299 1132581022 /nfs/dbraw/zinc/58/10/22/1132581022.db2.gz DZVDELQYTITLEK-UHFFFAOYSA-N 0 1 296.748 3.688 20 0 CHADMN CC[C@H](CC(=O)Nc1cc(C(C)=O)ccc1O)C(C)(C)C ZINC001152938010 1132587944 /nfs/dbraw/zinc/58/79/44/1132587944.db2.gz BRUZGOJZCBHIPK-CYBMUJFWSA-N 0 1 291.391 3.996 20 0 CHADMN Cc1ccc(Cl)cc1CN1CC[C@H]2CCCO[C@@H]2C1 ZINC001233248364 1132589673 /nfs/dbraw/zinc/58/96/73/1132589673.db2.gz ISPMDVXVPNUFTC-CZUORRHYSA-N 0 1 279.811 3.649 20 0 CHADMN [S-]c1ccc(C[N@H+]2CC[C@H]2COCc2ccccc2)cc1 ZINC001233261547 1132590865 /nfs/dbraw/zinc/59/08/65/1132590865.db2.gz SQESHFQPNJDXLS-KRWDZBQOSA-N 0 1 299.439 3.766 20 0 CHADMN C[C@]1(F)CCCC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233259521 1132590929 /nfs/dbraw/zinc/59/09/29/1132590929.db2.gz WGAPQVXWALCIIT-AWEZNQCLSA-N 0 1 253.386 3.689 20 0 CHADMN [S-]c1ccc(C[N@@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC001233261712 1132591056 /nfs/dbraw/zinc/59/10/56/1132591056.db2.gz ALPGAXYJGJCOSF-CYBMUJFWSA-N 0 1 276.430 3.769 20 0 CHADMN [S-]c1ccc(C[N@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC001233261712 1132591058 /nfs/dbraw/zinc/59/10/58/1132591058.db2.gz ALPGAXYJGJCOSF-CYBMUJFWSA-N 0 1 276.430 3.769 20 0 CHADMN COc1ccccc1C[N@@H+](C)Cc1ccc([S-])cc1 ZINC001233260439 1132591619 /nfs/dbraw/zinc/59/16/19/1132591619.db2.gz DRUBETJLCJITET-UHFFFAOYSA-N 0 1 273.401 3.616 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1cccc2c1CCO2 ZINC001233277216 1132592866 /nfs/dbraw/zinc/59/28/66/1132592866.db2.gz SBSHAMZBRQTZCI-CQSZACIVSA-N 0 1 297.398 3.823 20 0 CHADMN C[C@H]1C[N@H+](Cc2ccc([S-])cc2)[C@@H](c2ccccc2)CO1 ZINC001233262447 1132593041 /nfs/dbraw/zinc/59/30/41/1132593041.db2.gz HGVVEEMZSDWMDW-KBXCAEBGSA-N 0 1 299.439 3.937 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc([S-])cc2)[C@@H](c2ccccc2)CO1 ZINC001233262447 1132593044 /nfs/dbraw/zinc/59/30/44/1132593044.db2.gz HGVVEEMZSDWMDW-KBXCAEBGSA-N 0 1 299.439 3.937 20 0 CHADMN [S-]c1ccc(C[N@H+]2CCOC[C@@H]2C2CCCCC2)cc1 ZINC001233262802 1132593654 /nfs/dbraw/zinc/59/36/54/1132593654.db2.gz VPRXXEKZNIKLAU-QGZVFWFLSA-N 0 1 291.460 3.756 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3ccc4c(c3)N=NC4)c2[nH]1 ZINC001153608189 1132596402 /nfs/dbraw/zinc/59/64/02/1132596402.db2.gz GKHNTOUSRRGSHC-UHFFFAOYSA-N 0 1 291.314 3.721 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)c2[nH]1 ZINC001153614059 1132597455 /nfs/dbraw/zinc/59/74/55/1132597455.db2.gz RJDOFIKUACSDAR-DGCLKSJQSA-N 0 1 299.418 3.816 20 0 CHADMN Cc1cc(Nc2ccc3c(c2)OCC3)c2ccccc2n1 ZINC001206649233 1132599029 /nfs/dbraw/zinc/59/90/29/1132599029.db2.gz VCYHWSARISVNCX-UHFFFAOYSA-N 0 1 276.339 3.644 20 0 CHADMN CC(=O)c1cccc(Nc2c(C)nc3ccc(F)cn32)c1 ZINC001173899267 1132603876 /nfs/dbraw/zinc/60/38/76/1132603876.db2.gz DYHRZAZIYIPQBC-UHFFFAOYSA-N 0 1 283.306 3.728 20 0 CHADMN COc1cc(F)c(CN2CCCCC[C@H]2C)cc1F ZINC001233343030 1132606100 /nfs/dbraw/zinc/60/61/00/1132606100.db2.gz WHFXAIWUAXJOOY-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN COc1cc(F)c(CN2CC[C@@H]3CCC[C@H]3C2)cc1F ZINC001233341210 1132606514 /nfs/dbraw/zinc/60/65/14/1132606514.db2.gz HYRFXAQHPUXIND-RYUDHWBXSA-N 0 1 281.346 3.595 20 0 CHADMN CSc1cccc(Cl)c1CN(C)CC1CC1 ZINC001233350750 1132608303 /nfs/dbraw/zinc/60/83/03/1132608303.db2.gz SHQZEMRACJJPLA-UHFFFAOYSA-N 0 1 255.814 3.904 20 0 CHADMN CC(C)Oc1cc(-c2cc3nc[nH]c3cc2F)c(F)cn1 ZINC001206652587 1132609082 /nfs/dbraw/zinc/60/90/82/1132609082.db2.gz MJXZXGVFUFZCMQ-UHFFFAOYSA-N 0 1 289.285 3.690 20 0 CHADMN CSc1cccc(Cl)c1C[N@@H+](CCCO)C(C)C ZINC001233352699 1132609883 /nfs/dbraw/zinc/60/98/83/1132609883.db2.gz PQJZNKUTURIOTG-UHFFFAOYSA-N 0 1 287.856 3.655 20 0 CHADMN CSc1cccc(Cl)c1CN(CCCO)C(C)C ZINC001233352699 1132609886 /nfs/dbraw/zinc/60/98/86/1132609886.db2.gz PQJZNKUTURIOTG-UHFFFAOYSA-N 0 1 287.856 3.655 20 0 CHADMN CSc1cccc(Cl)c1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001233353454 1132610427 /nfs/dbraw/zinc/61/04/27/1132610427.db2.gz WMZOZZWGCGSRPW-RYUDHWBXSA-N 0 1 297.851 3.530 20 0 CHADMN CC[C@H]1CCCN(Cc2cnc3cccc(Cl)n23)C1 ZINC001233359468 1132610708 /nfs/dbraw/zinc/61/07/08/1132610708.db2.gz XPJLXJGHKBIQCW-LBPRGKRZSA-N 0 1 277.799 3.610 20 0 CHADMN Cc1ncc(CN2CC[C@H](c3ccccc3Cl)C2)o1 ZINC001233367021 1132612178 /nfs/dbraw/zinc/61/21/78/1132612178.db2.gz DZSVCEZFDAPAFF-LBPRGKRZSA-N 0 1 276.767 3.626 20 0 CHADMN COc1ccc(CN2CC[C@H]3CCC[C@@H]3C2)c(Cl)c1O ZINC001233398469 1132615396 /nfs/dbraw/zinc/61/53/96/1132615396.db2.gz MTVMNGYGCWIACJ-VXGBXAGGSA-N 0 1 295.810 3.676 20 0 CHADMN Fc1cc(Cl)c(Cl)cc1Nc1ccncc1 ZINC001173884810 1132625279 /nfs/dbraw/zinc/62/52/79/1132625279.db2.gz SLTGKHPWNCLOTF-UHFFFAOYSA-N 0 1 257.095 3.693 20 0 CHADMN FC(F)(F)Oc1cc(Cl)cc(Nc2ccncc2)c1 ZINC001173883045 1132623282 /nfs/dbraw/zinc/62/32/82/1132623282.db2.gz CZAQVJXQFLGQCA-UHFFFAOYSA-N 0 1 288.656 3.799 20 0 CHADMN FC(F)(F)Sc1ccc(Nc2ccncc2)cc1 ZINC001173882218 1132623729 /nfs/dbraw/zinc/62/37/29/1132623729.db2.gz CDRCVQZQCLQUFU-UHFFFAOYSA-N 0 1 270.279 3.859 20 0 CHADMN Clc1cc(Br)ccc1Nc1ccncc1 ZINC001173882436 1132623828 /nfs/dbraw/zinc/62/38/28/1132623828.db2.gz KGVFAFISKPWUSY-UHFFFAOYSA-N 0 1 283.556 3.663 20 0 CHADMN FC(F)(F)c1cc(Nc2ccncc2)ccc1Cl ZINC001173882362 1132624118 /nfs/dbraw/zinc/62/41/18/1132624118.db2.gz GMTPYZABHXBZLM-UHFFFAOYSA-N 0 1 272.657 3.919 20 0 CHADMN Cc1cc(Nc2ccncc2)ccc1C(F)(F)F ZINC001173885174 1132625269 /nfs/dbraw/zinc/62/52/69/1132625269.db2.gz MRMKGAHLQNCSPA-UHFFFAOYSA-N 0 1 252.239 3.574 20 0 CHADMN Cc1cc(C)c(Nc2ccncc2)c(Br)c1 ZINC001173883746 1132625199 /nfs/dbraw/zinc/62/51/99/1132625199.db2.gz ZJMWULLLELQCQA-UHFFFAOYSA-N 0 1 277.165 3.626 20 0 CHADMN FC(F)(F)c1cccc(Nc2ccncc2)c1Cl ZINC001173883604 1132625597 /nfs/dbraw/zinc/62/55/97/1132625597.db2.gz UWPLHLSZHFWCLF-UHFFFAOYSA-N 0 1 272.657 3.919 20 0 CHADMN c1csc(-c2cccc(Nc3ccncc3)c2)c1 ZINC001173884366 1132625663 /nfs/dbraw/zinc/62/56/63/1132625663.db2.gz PEBJGVPXZXNRPP-UHFFFAOYSA-N 0 1 252.342 3.976 20 0 CHADMN Fc1cc(Nc2ccncc2)cc(F)c1C(F)(F)F ZINC001173884305 1132625794 /nfs/dbraw/zinc/62/57/94/1132625794.db2.gz MLPIEZFIEVNBIC-UHFFFAOYSA-N 0 1 274.192 3.544 20 0 CHADMN Nc1ccccc1Oc1ccccc1Nc1ccncc1 ZINC001173884859 1132625835 /nfs/dbraw/zinc/62/58/35/1132625835.db2.gz VKVXMPHGBURWBR-UHFFFAOYSA-N 0 1 277.327 3.622 20 0 CHADMN FC(F)c1cccc(Nc2ccncc2)c1Cl ZINC001173884726 1132625968 /nfs/dbraw/zinc/62/59/68/1132625968.db2.gz XYIJVKJPLFUCJP-UHFFFAOYSA-N 0 1 254.667 3.838 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(F)cc1C ZINC001173968634 1132638411 /nfs/dbraw/zinc/63/84/11/1132638411.db2.gz RXPWTKDJCDDJJY-UHFFFAOYSA-N 0 1 273.286 3.973 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)c1c[nH]cc1C1CC1 ZINC001155070245 1132639839 /nfs/dbraw/zinc/63/98/39/1132639839.db2.gz RVBNMXPHCURHRC-UHFFFAOYSA-N 0 1 294.713 3.643 20 0 CHADMN C[C@@H](Oc1n[nH]c(=O)cc1Cl)c1csc(Cl)c1 ZINC001233587438 1132642105 /nfs/dbraw/zinc/64/21/05/1132642105.db2.gz RJWLTLTVFRVVKL-RXMQYKEDSA-N 0 1 291.159 3.691 20 0 CHADMN CC(=O)c1cc(F)ccc1Nc1ccccc1CN(C)C ZINC001173931782 1132644770 /nfs/dbraw/zinc/64/47/70/1132644770.db2.gz LJNLHUWTEQPZNO-UHFFFAOYSA-N 0 1 286.350 3.834 20 0 CHADMN Cc1cc(CN2CC[C@](C)(F)[C@H](F)C2)sc1C ZINC001233656661 1132658608 /nfs/dbraw/zinc/65/86/08/1132658608.db2.gz ZWUKHUBEDLZEAZ-OLZOCXBDSA-N 0 1 259.365 3.637 20 0 CHADMN Cc1cccc(Nc2ccnn2-c2ccncc2)c1C ZINC001173953417 1132659925 /nfs/dbraw/zinc/65/99/25/1132659925.db2.gz APAOEBDCHVFFFS-UHFFFAOYSA-N 0 1 264.332 3.628 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1ncccc1OC ZINC001206656251 1132662749 /nfs/dbraw/zinc/66/27/49/1132662749.db2.gz IZHWMIMFNACFTN-KRWDZBQOSA-N 0 1 282.387 3.600 20 0 CHADMN Cc1cc(C)c(NC(=O)c2cccc3cncn32)cc1C ZINC001155798218 1132665210 /nfs/dbraw/zinc/66/52/10/1132665210.db2.gz BKJJBMZPFKJYHR-UHFFFAOYSA-N 0 1 279.343 3.512 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(C)nc2)sc1C ZINC001233700838 1132665806 /nfs/dbraw/zinc/66/58/06/1132665806.db2.gz TXPNAVQADRKIBH-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN CC1(C)CCCN1Cc1ccc(Br)c(F)c1 ZINC000722024364 1132675825 /nfs/dbraw/zinc/67/58/25/1132675825.db2.gz NXYUFXFFWWJFEG-UHFFFAOYSA-N 0 1 286.188 3.963 20 0 CHADMN Cc1ccc(Nc2ccc(N3CCN(C)CC3)cc2)c(C)c1 ZINC001174012686 1132678406 /nfs/dbraw/zinc/67/84/06/1132678406.db2.gz HQXPTLSYBFDFLN-UHFFFAOYSA-N 0 1 295.430 3.799 20 0 CHADMN COc1ccc(Nc2cc(C)nn2-c2ccncc2)c(C)c1 ZINC001174022293 1132696263 /nfs/dbraw/zinc/69/62/63/1132696263.db2.gz QDVTXTTVINMMJE-UHFFFAOYSA-N 0 1 294.358 3.636 20 0 CHADMN COc1ccnc(N2CCC[C@H]2c2c(F)cccc2F)c1 ZINC001156928781 1132716416 /nfs/dbraw/zinc/71/64/16/1132716416.db2.gz VGYIBDTUQRSBAC-AWEZNQCLSA-N 0 1 290.313 3.710 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)[C@H](C)c2ccccc2)n[nH]1 ZINC001157200210 1132724502 /nfs/dbraw/zinc/72/45/02/1132724502.db2.gz LBALLYSBBLPRAU-PBHICJAKSA-N 0 1 297.402 3.575 20 0 CHADMN Cc1ccc(N2CCc3c([nH]nc3C(F)(F)F)C2)nc1C ZINC001157341565 1132727981 /nfs/dbraw/zinc/72/79/81/1132727981.db2.gz FZJRVNCLMHZMLR-ZDUSSCGKSA-N 0 1 296.296 3.559 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1C(=O)[C@H](N)c1ccc2ccccc2c1 ZINC001157450402 1132731181 /nfs/dbraw/zinc/73/11/81/1132731181.db2.gz AABADEKXAWAWQO-QWQRMKEZSA-N 0 1 296.414 3.629 20 0 CHADMN CCCCCC[C@@H](CC)C(=O)N1CCN(CC)C[C@H]1C ZINC001157547512 1132734318 /nfs/dbraw/zinc/73/43/18/1132734318.db2.gz ASILGNDWMIJFCP-HZPDHXFCSA-N 0 1 282.472 3.536 20 0 CHADMN c1ccc2c(c1)NCC[C@H]2Nc1ccc2c(n1)CCCC2 ZINC001157833474 1132746336 /nfs/dbraw/zinc/74/63/36/1132746336.db2.gz DSLPHNTYIQGIAE-QGZVFWFLSA-N 0 1 279.387 3.929 20 0 CHADMN Clc1cc2nc[nH]c2nc1N[C@H]1CCNc2ccccc21 ZINC001157835634 1132746577 /nfs/dbraw/zinc/74/65/77/1132746577.db2.gz SOPUSRFUKSDJGW-LBPRGKRZSA-N 0 1 299.765 3.580 20 0 CHADMN Cc1cccc2ccnc(NCCCOC(C)C)c12 ZINC001157870827 1132749512 /nfs/dbraw/zinc/74/95/12/1132749512.db2.gz SEJLNUORKNWGPA-UHFFFAOYSA-N 0 1 258.365 3.770 20 0 CHADMN Cc1cnc(NCCCCc2ccccn2)cc1C ZINC001157975720 1132758838 /nfs/dbraw/zinc/75/88/38/1132758838.db2.gz UDINFLQGDLNWAI-UHFFFAOYSA-N 0 1 255.365 3.528 20 0 CHADMN CCOc1ccnc(NCc2c(Cl)cncc2Cl)c1 ZINC001158301282 1132768937 /nfs/dbraw/zinc/76/89/37/1132768937.db2.gz GNDLWHVWQGWEGD-UHFFFAOYSA-N 0 1 298.173 3.794 20 0 CHADMN Brc1sccc1Nc1ccc2nccn2c1 ZINC001174278942 1132768925 /nfs/dbraw/zinc/76/89/25/1132768925.db2.gz SVWZXGWNTNQWQP-UHFFFAOYSA-N 0 1 294.177 3.902 20 0 CHADMN CC1(C)Oc2ccc(Nc3ccc4nccn4c3)cc2O1 ZINC001174279335 1132769555 /nfs/dbraw/zinc/76/95/55/1132769555.db2.gz UBMBSJRSILQHMJ-UHFFFAOYSA-N 0 1 281.315 3.585 20 0 CHADMN Nc1cccc(C(F)(F)F)c1Nc1ccc2nccn2c1 ZINC001174279533 1132770166 /nfs/dbraw/zinc/77/01/66/1132770166.db2.gz DVZDHRIBGJYRHJ-UHFFFAOYSA-N 0 1 292.264 3.679 20 0 CHADMN C[C@@H](CNc1ccc2c(n1)CCCC2)c1ccc(O)cc1 ZINC001158606102 1132783347 /nfs/dbraw/zinc/78/33/47/1132783347.db2.gz OAMBJOKVJBGDMT-ZDUSSCGKSA-N 0 1 282.387 3.882 20 0 CHADMN COc1ccc(Nc2ccc3nccn3c2)c(Cl)c1 ZINC001174277669 1132785826 /nfs/dbraw/zinc/78/58/26/1132785826.db2.gz KWJHYYRLGXDQMR-UHFFFAOYSA-N 0 1 273.723 3.740 20 0 CHADMN CC(C)(C)c1cncc(Nc2ccc3nccn3c2)c1 ZINC001174276879 1132785905 /nfs/dbraw/zinc/78/59/05/1132785905.db2.gz UYVQPJPNIXLBMV-UHFFFAOYSA-N 0 1 266.348 3.770 20 0 CHADMN COc1c(Cl)cccc1Nc1ccc2nccn2c1 ZINC001174276817 1132785947 /nfs/dbraw/zinc/78/59/47/1132785947.db2.gz QGXQLZWFQKHVTK-UHFFFAOYSA-N 0 1 273.723 3.740 20 0 CHADMN Cc1c(Cl)ccc(N)c1Nc1ccc2nccn2c1 ZINC001174278554 1132786166 /nfs/dbraw/zinc/78/61/66/1132786166.db2.gz YXBQOFQYJOWQQK-UHFFFAOYSA-N 0 1 272.739 3.622 20 0 CHADMN Cc1ccnc(C(C)C)c1Nc1ccc2nccn2c1 ZINC001174276766 1132786720 /nfs/dbraw/zinc/78/67/20/1132786720.db2.gz NRYUUVFUBAAWAK-UHFFFAOYSA-N 0 1 266.348 3.905 20 0 CHADMN c1oc2ccccc2c1CCNc1ccc2c(n1)CCC2 ZINC001158659002 1132787121 /nfs/dbraw/zinc/78/71/21/1132787121.db2.gz LFIIGKCUJSEVBZ-UHFFFAOYSA-N 0 1 278.355 3.971 20 0 CHADMN CCOc1ccccc1OCCNc1cc(C)c(C)cn1 ZINC001158824375 1132795633 /nfs/dbraw/zinc/79/56/33/1132795633.db2.gz WGHCGYUIOUOERX-UHFFFAOYSA-N 0 1 286.375 3.588 20 0 CHADMN c1n[nH]c2cccc(Nc3cc(-c4ccccc4)no3)c12 ZINC001174342269 1132799027 /nfs/dbraw/zinc/79/90/27/1132799027.db2.gz ICKOZEBFUJDDLU-UHFFFAOYSA-N 0 1 276.299 3.962 20 0 CHADMN COc1cccc(C)c1Nc1cccc2[nH]ncc21 ZINC001174343709 1132800576 /nfs/dbraw/zinc/80/05/76/1132800576.db2.gz FOBMPROZGXMLDL-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cc1cc(Nc2cccc3[nH]ncc32)n(CC2CCC2)n1 ZINC001174343460 1132801249 /nfs/dbraw/zinc/80/12/49/1132801249.db2.gz SNZNPRYPGIJZGV-UHFFFAOYSA-N 0 1 281.363 3.612 20 0 CHADMN O=c1cc(Nc2cccc3[nH]ncc32)c2ccccc2[nH]1 ZINC001174343848 1132801390 /nfs/dbraw/zinc/80/13/90/1132801390.db2.gz QPHPNIZRINBQHR-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN c1ncc(-c2ccc(Nc3cccc4[nH]ncc43)cc2)o1 ZINC001174343678 1132801663 /nfs/dbraw/zinc/80/16/63/1132801663.db2.gz FACUDKRRWUBUQN-UHFFFAOYSA-N 0 1 276.299 3.962 20 0 CHADMN c1n[nH]c2cccc(Nc3ncccc3N3CCCCC3)c12 ZINC001174343405 1132801930 /nfs/dbraw/zinc/80/19/30/1132801930.db2.gz RLJLRRAHFMPIPU-UHFFFAOYSA-N 0 1 293.374 3.692 20 0 CHADMN CCc1ccc(O)c(Nc2cccc3[nH]ncc32)c1 ZINC001174343993 1132801985 /nfs/dbraw/zinc/80/19/85/1132801985.db2.gz IVDZSHUQALISAJ-UHFFFAOYSA-N 0 1 253.305 3.575 20 0 CHADMN COC(=O)c1cc(C)c(Nc2cccc3[nH]ncc32)cc1C ZINC001174345405 1132803835 /nfs/dbraw/zinc/80/38/35/1132803835.db2.gz YMALGXHATDYCPZ-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN c1n[nH]c2cccc(Nc3cccc4ncccc43)c12 ZINC001174345115 1132804031 /nfs/dbraw/zinc/80/40/31/1132804031.db2.gz ZEIOFZQIYCNLOJ-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN CCc1cccc(O)c1Nc1cccc2[nH]ncc21 ZINC001174347877 1132806445 /nfs/dbraw/zinc/80/64/45/1132806445.db2.gz OERBJMPVRBHRLG-UHFFFAOYSA-N 0 1 253.305 3.575 20 0 CHADMN Oc1cccc(F)c1NC1=CCCN(Cc2ccccc2)C1 ZINC001174396074 1132811844 /nfs/dbraw/zinc/81/18/44/1132811844.db2.gz CKVXQJVTTLZCFE-UHFFFAOYSA-N 0 1 298.361 3.733 20 0 CHADMN c1coc(-c2nnc(Nc3ccc4ncsc4c3)o2)c1 ZINC001174363477 1132821632 /nfs/dbraw/zinc/82/16/32/1132821632.db2.gz PUJKYYVWXXINLZ-UHFFFAOYSA-N 0 1 284.300 3.683 20 0 CHADMN Cc1cc(C)nc(Nc2ccc(-c3cnn(C)c3)cc2)c1 ZINC001174376421 1132826166 /nfs/dbraw/zinc/82/61/66/1132826166.db2.gz XKBVDYSQVGMZIZ-UHFFFAOYSA-N 0 1 278.359 3.843 20 0 CHADMN Cn1cc(Nc2cc([C@H]3CCCCN3)no2)c2ccccc21 ZINC001159313501 1132829003 /nfs/dbraw/zinc/82/90/03/1132829003.db2.gz PTTVUUOONQDQIL-CYBMUJFWSA-N 0 1 296.374 3.725 20 0 CHADMN CSc1cccc(Nc2cc([C@H]3CCCCN3)no2)c1 ZINC001159309691 1132830729 /nfs/dbraw/zinc/83/07/29/1132830729.db2.gz XZEVTSOWUYSZOH-CYBMUJFWSA-N 0 1 289.404 3.955 20 0 CHADMN Oc1c(Cl)c(Cl)c(Cl)cc1Nc1cncnc1 ZINC001174389510 1132831678 /nfs/dbraw/zinc/83/16/78/1132831678.db2.gz XENFUERCBAFPIW-UHFFFAOYSA-N 0 1 290.537 3.886 20 0 CHADMN COc1ccc2c(c1)C[C@H](Nc1ccc3c(n1)CCC3)CC2 ZINC001159361595 1132833337 /nfs/dbraw/zinc/83/33/37/1132833337.db2.gz NUCGMRKQQRWYTL-MRXNPFEDSA-N 0 1 294.398 3.548 20 0 CHADMN CCc1ccc(CN2CCc3ccccc3[C@H]2C)o1 ZINC001204388804 1132838617 /nfs/dbraw/zinc/83/86/17/1132838617.db2.gz FYRIQBRZWUKFPK-CYBMUJFWSA-N 0 1 255.361 3.961 20 0 CHADMN Cc1ccc2nc(N)n(-c3cccc(N4CCCC4)c3)c2c1 ZINC001174485218 1132858621 /nfs/dbraw/zinc/85/86/21/1132858621.db2.gz AYYMLZDPHYFPLL-UHFFFAOYSA-N 0 1 292.386 3.516 20 0 CHADMN CCn1ncc2cc(Nc3ccc4c[nH]nc4c3)ccc21 ZINC001174500162 1132861020 /nfs/dbraw/zinc/86/10/20/1132861020.db2.gz BZBNDEUCPQXWBR-UHFFFAOYSA-N 0 1 277.331 3.676 20 0 CHADMN [O-]c1ccc(F)c(Nc2cccc3c2CC[NH2+]C3)c1Cl ZINC001159548227 1132861655 /nfs/dbraw/zinc/86/16/55/1132861655.db2.gz BPFZYXYCQSODLV-UHFFFAOYSA-N 0 1 292.741 3.574 20 0 CHADMN FC(F)(F)c1cncc(Nc2ccc3c[nH]nc3c2)c1 ZINC001174497807 1132863364 /nfs/dbraw/zinc/86/33/64/1132863364.db2.gz KBMQPAYLJOHABF-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN FC(F)(F)Oc1cncc(Nc2ccc3c[nH]nc3c2)c1 ZINC001174498933 1132863997 /nfs/dbraw/zinc/86/39/97/1132863997.db2.gz MSXRFAARSKDQFE-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN CCCc1ccnc(Nc2ccc3cn[nH]c3c2)c1 ZINC001174498662 1132864386 /nfs/dbraw/zinc/86/43/86/1132864386.db2.gz JQQTZXDZIDSVBA-UHFFFAOYSA-N 0 1 252.321 3.654 20 0 CHADMN Oc1cccc(Cl)c1Nc1cccc2[nH]ncc21 ZINC001159574940 1132864655 /nfs/dbraw/zinc/86/46/55/1132864655.db2.gz QXBSDNSYPZMQRR-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN COc1cc(F)c(F)cc1Nc1cccc2[nH]ncc21 ZINC001159575149 1132864947 /nfs/dbraw/zinc/86/49/47/1132864947.db2.gz UODVGICRFLXEKW-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN Cc1c(F)ccc(Nc2cccc3[nH]ncc32)c1F ZINC001159574997 1132864970 /nfs/dbraw/zinc/86/49/70/1132864970.db2.gz RLUGLWKAQBPKPH-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN COC(=O)c1cc(Nc2cccc3[nH]ncc32)c(C)cc1C ZINC001159574374 1132865396 /nfs/dbraw/zinc/86/53/96/1132865396.db2.gz FBYZFCLGHCWGQD-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1cc(Nc2ccc3c[nH]nc3c2)cnc1Cl ZINC001174499739 1132871032 /nfs/dbraw/zinc/87/10/32/1132871032.db2.gz VUVWXSGNQGLRMQ-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN CC1(C)Oc2ccc(Nc3ccc4c[nH]nc4c3)cc2O1 ZINC001174499911 1132876945 /nfs/dbraw/zinc/87/69/45/1132876945.db2.gz FYAHURCQNJHVQM-UHFFFAOYSA-N 0 1 281.315 3.814 20 0 CHADMN Cc1ccc(Nc2c(N)cccc2Cl)c2cn[nH]c21 ZINC001159624352 1132877689 /nfs/dbraw/zinc/87/76/89/1132877689.db2.gz QKQYACMMQQAKJG-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN [O-]c1ccc(Cl)c(NC=CC2CC[NH2+]CC2)c1Cl ZINC001159655644 1132885090 /nfs/dbraw/zinc/88/50/90/1132885090.db2.gz DTVLKSSQOPGLEC-VMPITWQZSA-N 0 1 287.190 3.624 20 0 CHADMN CCOc1cc(Nc2ccc3c[nH]nc3c2)c(F)cc1F ZINC001159662998 1132886572 /nfs/dbraw/zinc/88/65/72/1132886572.db2.gz PKZARXUTZSRPPJ-UHFFFAOYSA-N 0 1 289.285 3.983 20 0 CHADMN COc1cc(F)c(F)cc1Nc1ccc2c[nH]nc2c1 ZINC001159663177 1132887649 /nfs/dbraw/zinc/88/76/49/1132887649.db2.gz SUIPTGBEFLNDNL-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN Cc1cc2c(cccc2Nc2ccc3c[nH]nc3c2)nn1 ZINC001174500092 1132887623 /nfs/dbraw/zinc/88/76/23/1132887623.db2.gz JVBFGKSIRLVIDW-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN O=c1ccc2c(Nc3ccc4c[nH]nc4c3)cccc2[nH]1 ZINC001159662752 1132888155 /nfs/dbraw/zinc/88/81/55/1132888155.db2.gz CJQWUGBHJIBVFM-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN Cc1cc(F)cc(Nc2ccc(-n3ccc(=O)[nH]3)cc2)c1 ZINC001174530806 1132894452 /nfs/dbraw/zinc/89/44/52/1132894452.db2.gz USSOJVHIKPXZQX-UHFFFAOYSA-N 0 1 283.306 3.769 20 0 CHADMN Cc1cnccc1Nc1cc(C2CCCCC2)no1 ZINC001174536586 1132896712 /nfs/dbraw/zinc/89/67/12/1132896712.db2.gz ZXTJSDMLZQBLET-UHFFFAOYSA-N 0 1 257.337 3.591 20 0 CHADMN Cc1cc(F)c(F)cc1Nc1ccc2c[nH]nc2c1 ZINC001174501623 1132902492 /nfs/dbraw/zinc/90/24/92/1132902492.db2.gz BRZOYYGDLRYQPQ-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN COC(=O)c1ccc(C)c(Nc2ccc3c[nH]nc3c2)c1C ZINC001174501385 1132902638 /nfs/dbraw/zinc/90/26/38/1132902638.db2.gz QOHGFCIMHDASCS-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN CC(=O)c1ccc(C)c(Nc2ccc3c[nH]nc3c2)c1 ZINC001174501338 1132903209 /nfs/dbraw/zinc/90/32/09/1132903209.db2.gz NSADRBUMDVGJDS-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN Nc1cccc(C(F)(F)F)c1Nc1ccc2c[nH]nc2c1 ZINC001174501450 1132903251 /nfs/dbraw/zinc/90/32/51/1132903251.db2.gz TWQWETYCLVUGNX-UHFFFAOYSA-N 0 1 292.264 3.908 20 0 CHADMN Nc1ccc(Cl)c(Nc2cncn2Cc2ccccc2)c1 ZINC001159880246 1132919643 /nfs/dbraw/zinc/91/96/43/1132919643.db2.gz ZRVHMDHIDPSDPE-UHFFFAOYSA-N 0 1 298.777 3.911 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(O)cc1C ZINC001174564766 1132925566 /nfs/dbraw/zinc/92/55/66/1132925566.db2.gz NWWVVSVGRRPIHY-UHFFFAOYSA-N 0 1 271.295 3.539 20 0 CHADMN COC(=O)c1cccc([C@@H](C)Nc2ccc3c(n2)CCC3)c1 ZINC001159954075 1132927754 /nfs/dbraw/zinc/92/77/54/1132927754.db2.gz DORBEJYPOJNFKV-GFCCVEGCSA-N 0 1 296.370 3.530 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N(CC(=O)Nc2ccc(C)c(F)c2)C1 ZINC001174624152 1132930163 /nfs/dbraw/zinc/93/01/63/1132930163.db2.gz XTESSDOCNQYSLE-ZIAGYGMSSA-N 0 1 292.398 3.583 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4sc(N)nc4c3)cc12 ZINC001160005914 1132934576 /nfs/dbraw/zinc/93/45/76/1132934576.db2.gz MQXUHOGABUUGNB-UHFFFAOYSA-N 0 1 295.371 3.807 20 0 CHADMN Cc1ccc(Nc2ccnn2-c2ccncc2)cc1C ZINC001174632229 1132934657 /nfs/dbraw/zinc/93/46/57/1132934657.db2.gz CGRALQQHGFQHPV-UHFFFAOYSA-N 0 1 264.332 3.628 20 0 CHADMN Cc1cnc(NCc2cccc3sccc32)c(N)c1 ZINC001160187284 1132944381 /nfs/dbraw/zinc/94/43/81/1132944381.db2.gz PQYMOMDXWRWZKH-UHFFFAOYSA-N 0 1 269.373 3.799 20 0 CHADMN Oc1ccc(Cl)c(Nc2ccc3nc[nH]c3c2)c1F ZINC001160224758 1132949765 /nfs/dbraw/zinc/94/97/65/1132949765.db2.gz YAXFGNPGYSAXKM-UHFFFAOYSA-N 0 1 277.686 3.805 20 0 CHADMN Cc1c(F)cccc1Nc1cccc(N2CCN(C)CC2)c1 ZINC001174669417 1132957928 /nfs/dbraw/zinc/95/79/28/1132957928.db2.gz VMMGPJIQFVNNPF-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN FC(F)c1ccc(Nc2ccnn2-c2ccncc2)cc1 ZINC001174715118 1132962325 /nfs/dbraw/zinc/96/23/25/1132962325.db2.gz MKGPAHPYAGZUEZ-UHFFFAOYSA-N 0 1 286.285 3.949 20 0 CHADMN COc1c(C)cnc(CNCc2c(C)cccc2C)c1C ZINC000773400051 1132966931 /nfs/dbraw/zinc/96/69/31/1132966931.db2.gz HNSRNVWCVHDGPW-UHFFFAOYSA-N 0 1 284.403 3.614 20 0 CHADMN Cc1cccc2ccnc(NCC3Oc4ccccc4O3)c12 ZINC001160411074 1132970168 /nfs/dbraw/zinc/97/01/68/1132970168.db2.gz LRKOTFPYDPQRHR-UHFFFAOYSA-N 0 1 292.338 3.753 20 0 CHADMN Cc1cnc(N[C@@H](c2ccccc2)C2(O)CCC2)cc1C ZINC001160543568 1132974709 /nfs/dbraw/zinc/97/47/09/1132974709.db2.gz MFCHJBBZGAXKEI-KRWDZBQOSA-N 0 1 282.387 3.767 20 0 CHADMN CC(C)Oc1ccnc(NCc2noc3ccccc23)c1 ZINC001160582896 1132975408 /nfs/dbraw/zinc/97/54/08/1132975408.db2.gz LOYVYICEWAGXMR-UHFFFAOYSA-N 0 1 283.331 3.622 20 0 CHADMN c1ccc2c(CNc3ccc4c(n3)CCCC4)noc2c1 ZINC001160582773 1132975752 /nfs/dbraw/zinc/97/57/52/1132975752.db2.gz GDCHKXWWAKFWDM-UHFFFAOYSA-N 0 1 279.343 3.714 20 0 CHADMN COc1ccnc(NC(C)(C)Cc2ccccc2C)c1 ZINC001161450840 1133003341 /nfs/dbraw/zinc/00/33/41/1133003341.db2.gz JKNRDSRQWHZZMJ-UHFFFAOYSA-N 0 1 270.376 3.832 20 0 CHADMN Nc1cc(Cl)cc2ccn(-c3cccc4nc[nH]c43)c21 ZINC001213034488 1133013463 /nfs/dbraw/zinc/01/34/63/1133013463.db2.gz MORBAVRLWNLMKJ-UHFFFAOYSA-N 0 1 282.734 3.742 20 0 CHADMN CCOC(=O)c1nc2ccc(NCCC(C)(C)C)cc2[nH]1 ZINC001161681015 1133014872 /nfs/dbraw/zinc/01/48/72/1133014872.db2.gz FZCBFFNLQCNNGK-UHFFFAOYSA-N 0 1 289.379 3.588 20 0 CHADMN Cc1nc2cc(-n3c(N)nc4c3cccc4C)ccc2s1 ZINC001213035456 1133026342 /nfs/dbraw/zinc/02/63/42/1133026342.db2.gz NHBGXGJISQIMAQ-UHFFFAOYSA-N 0 1 294.383 3.834 20 0 CHADMN CC(C)OCCNc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001161795043 1133028534 /nfs/dbraw/zinc/02/85/34/1133028534.db2.gz RDJBLVANYJMQSD-UHFFFAOYSA-N 0 1 269.348 3.553 20 0 CHADMN Cc1ccc(N[C@@H](c2ccnc(F)c2)C2CC2)nc1C ZINC001161840207 1133034278 /nfs/dbraw/zinc/03/42/78/1133034278.db2.gz IFLQTJOYSDWFPC-MRXNPFEDSA-N 0 1 271.339 3.796 20 0 CHADMN CC(C)(CNc1cc(Cl)nc2[nH]cnc21)CC1CC1 ZINC001162121964 1133051638 /nfs/dbraw/zinc/05/16/38/1133051638.db2.gz GUYFBHPYBRSCDT-UHFFFAOYSA-N 0 1 278.787 3.850 20 0 CHADMN CC(C)(C)N1CC(Nc2ccc3cccc(Cl)c3n2)C1 ZINC001162222098 1133061130 /nfs/dbraw/zinc/06/11/30/1133061130.db2.gz ZVIRJPFFYRYVKZ-UHFFFAOYSA-N 0 1 289.810 3.783 20 0 CHADMN CC(C)Oc1ccnc(NC(C)(C)Cc2cccnc2)c1 ZINC001162239586 1133062877 /nfs/dbraw/zinc/06/28/77/1133062877.db2.gz VXFZKBQNLCHNKE-UHFFFAOYSA-N 0 1 285.391 3.697 20 0 CHADMN CN(C(=O)c1[nH]nc2ccccc21)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001162242312 1133064515 /nfs/dbraw/zinc/06/45/15/1133064515.db2.gz IYEISDYQWHKWDH-DZGCQCFKSA-N 0 1 299.418 3.850 20 0 CHADMN Cc1cccc2ccnc(N[C@@H]3C[C@@]34CCCOC4)c12 ZINC001162380411 1133073849 /nfs/dbraw/zinc/07/38/49/1133073849.db2.gz JADKZSODRPIQEF-RHSMWYFYSA-N 0 1 268.360 3.524 20 0 CHADMN Cc1cccc2ccnc(N[C@H]3C[C@@]34CCCOC4)c12 ZINC001162380412 1133073964 /nfs/dbraw/zinc/07/39/64/1133073964.db2.gz JADKZSODRPIQEF-WMLDXEAASA-N 0 1 268.360 3.524 20 0 CHADMN Cc1cccc2ccnc(N[C@@H]3C[C@]34CCCOC4)c12 ZINC001162380410 1133073993 /nfs/dbraw/zinc/07/39/93/1133073993.db2.gz JADKZSODRPIQEF-PBHICJAKSA-N 0 1 268.360 3.524 20 0 CHADMN Cc1cnc(N[C@H]2CCOc3c(F)cc(F)cc32)cc1C ZINC001162407342 1133076399 /nfs/dbraw/zinc/07/63/99/1133076399.db2.gz SODSDABEBZYTOQ-AWEZNQCLSA-N 0 1 290.313 3.912 20 0 CHADMN CCc1cc(CNc2nc3cc(C)ccc3s2)n[nH]1 ZINC001162483200 1133082196 /nfs/dbraw/zinc/08/21/96/1133082196.db2.gz VKIBGFUFPQVNAR-UHFFFAOYSA-N 0 1 272.377 3.502 20 0 CHADMN CCc1cc(CNc2nc3c(ccc(C)c3C)s2)n[nH]1 ZINC001162483010 1133082268 /nfs/dbraw/zinc/08/22/68/1133082268.db2.gz OPZBMACXKYTFTI-UHFFFAOYSA-N 0 1 286.404 3.811 20 0 CHADMN CC(C)(Nc1cc2nc[nH]c2cc1F)C(=O)c1ccccc1 ZINC001162640397 1133098446 /nfs/dbraw/zinc/09/84/46/1133098446.db2.gz VLHCBEQSQAUNCT-UHFFFAOYSA-N 0 1 297.333 3.775 20 0 CHADMN C/C=C/C(=O)Nc1cccc(Cc2nc3ccccc3[nH]2)c1 ZINC001162693075 1133103568 /nfs/dbraw/zinc/10/35/68/1133103568.db2.gz GXAHJFVJVHUNGC-QHHAFSJGSA-N 0 1 291.354 3.668 20 0 CHADMN Cc1cnc(NCc2ccnc(C(F)(F)F)c2)cc1C ZINC001162740019 1133108062 /nfs/dbraw/zinc/10/80/62/1133108062.db2.gz ASNOKNWILYEEAN-UHFFFAOYSA-N 0 1 281.281 3.724 20 0 CHADMN CCOc1ccnc(NCCOc2cccc3ccoc32)c1 ZINC001163075836 1133129342 /nfs/dbraw/zinc/12/93/42/1133129342.db2.gz MUDNPSIHAIANJS-UHFFFAOYSA-N 0 1 298.342 3.717 20 0 CHADMN Cc1cc(NCc2noc3c2CNCC3)cc(C(C)(C)C)c1 ZINC001163135397 1133130580 /nfs/dbraw/zinc/13/05/80/1133130580.db2.gz WMOVLIXMTNGJEI-UHFFFAOYSA-N 0 1 299.418 3.538 20 0 CHADMN Cc1cccc2ccnc(NCc3cnn4ccccc34)c12 ZINC001163284472 1133140665 /nfs/dbraw/zinc/14/06/65/1133140665.db2.gz ODPXVCGOIXYGPG-UHFFFAOYSA-N 0 1 288.354 3.803 20 0 CHADMN CCCc1nsc(Nc2cnn(CCC)c2C2CC2)n1 ZINC001163346762 1133143601 /nfs/dbraw/zinc/14/36/01/1133143601.db2.gz LQWXAQWFFXIBFM-UHFFFAOYSA-N 0 1 291.424 3.718 20 0 CHADMN COc1cnccc1[C@H](Nc1cc(C)c(C)cn1)C1CC1 ZINC001163400891 1133148314 /nfs/dbraw/zinc/14/83/14/1133148314.db2.gz KAOAINACJJCQBH-QGZVFWFLSA-N 0 1 283.375 3.665 20 0 CHADMN S=c1nc2[nH]cnc(N[C@H]3CCCC34CCC4)c-2s1 ZINC001163521890 1133155919 /nfs/dbraw/zinc/15/59/19/1133155919.db2.gz VATNOFXJMUYDLB-QMMMGPOBSA-N 0 1 292.433 3.510 20 0 CHADMN CC(C)CN(CC(C)C)c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001163579773 1133160691 /nfs/dbraw/zinc/16/06/91/1133160691.db2.gz UTVRIAVHOFMXCN-UHFFFAOYSA-N 0 1 289.467 3.794 20 0 CHADMN Cc1ccc(Cl)c(CNc2ccnc3[nH]cnc32)c1F ZINC001163655879 1133164655 /nfs/dbraw/zinc/16/46/55/1133164655.db2.gz RTNZSEQXGRPWSR-UHFFFAOYSA-N 0 1 290.729 3.671 20 0 CHADMN Cc1ccc2c(ccnc2NCCc2cccc(O)c2)c1 ZINC001163694987 1133165363 /nfs/dbraw/zinc/16/53/63/1133165363.db2.gz QAAXYDJMUROJNS-UHFFFAOYSA-N 0 1 278.355 3.903 20 0 CHADMN Cc1cc(C)cc(CNc2cnc(N(C)C)cc2C)c1 ZINC001163750965 1133171518 /nfs/dbraw/zinc/17/15/18/1133171518.db2.gz ADQSFFGRERKDTL-UHFFFAOYSA-N 0 1 269.392 3.685 20 0 CHADMN Cc1cc(C)cc(CNc2cc3nc[nH]c3cc2F)c1 ZINC001163753080 1133172153 /nfs/dbraw/zinc/17/21/53/1133172153.db2.gz JOCPDUAPMZAYMW-UHFFFAOYSA-N 0 1 269.323 3.931 20 0 CHADMN CC(C)c1ccc(CNc2ccc3c(n2)NCCO3)cc1 ZINC001163823061 1133177264 /nfs/dbraw/zinc/17/72/64/1133177264.db2.gz YHQYGZXCAWENNM-UHFFFAOYSA-N 0 1 283.375 3.621 20 0 CHADMN Cc1nccc(NC(C)(C)Cc2ccc(F)cc2)c1F ZINC001163855088 1133180221 /nfs/dbraw/zinc/18/02/21/1133180221.db2.gz SZWZQNIYNHGDSK-UHFFFAOYSA-N 0 1 276.330 3.523 20 0 CHADMN CC[C@H](C)CCCCC(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC001163884333 1133182696 /nfs/dbraw/zinc/18/26/96/1133182696.db2.gz DVEDWGKRZNNUIV-HRCADAONSA-N 0 1 282.472 3.534 20 0 CHADMN CCN(CC)Cc1cccc(NCC(=O)C(C)(C)C)c1F ZINC001164006980 1133192218 /nfs/dbraw/zinc/19/22/18/1133192218.db2.gz BHNCZRQEZIQVBF-UHFFFAOYSA-N 0 1 294.414 3.695 20 0 CHADMN Cc1cc2ccccc2c(N2CC[C@@H](CF)C(F)(F)C2)n1 ZINC001164095088 1133196842 /nfs/dbraw/zinc/19/68/42/1133196842.db2.gz JPPPGCDIQRQZIJ-ZDUSSCGKSA-N 0 1 294.320 3.974 20 0 CHADMN CC(C)Oc1ccnc(N(C)Cc2cnc(Cl)s2)c1 ZINC001164168919 1133202528 /nfs/dbraw/zinc/20/25/28/1133202528.db2.gz OTNZSBWFBYPSCF-UHFFFAOYSA-N 0 1 297.811 3.615 20 0 CHADMN Cc1ccc(C)c(N[C@@H](c2cccnc2)C(F)(F)F)n1 ZINC001164176983 1133203687 /nfs/dbraw/zinc/20/36/87/1133203687.db2.gz ZZOGSICWJVIONJ-LBPRGKRZSA-N 0 1 281.281 3.809 20 0 CHADMN CC[C@H](C)[C@H](Sc1nc2ccc(C)cc2[nH]1)C(=O)OC ZINC001164573018 1133224166 /nfs/dbraw/zinc/22/41/66/1133224166.db2.gz QYPIRBPMVKGTIK-GWCFXTLKSA-N 0 1 292.404 3.551 20 0 CHADMN CCc1ccc(CN2CC[C@H]2COCc2ccccc2)o1 ZINC001204392861 1133226516 /nfs/dbraw/zinc/22/65/16/1133226516.db2.gz MHEIQELTBPVGMZ-INIZCTEOSA-N 0 1 285.387 3.633 20 0 CHADMN COc1cc2ccnc(N3CCC34CCCC4)c2cc1OC ZINC001165277652 1133234626 /nfs/dbraw/zinc/23/46/26/1133234626.db2.gz ISQQEKUSKSNMGL-UHFFFAOYSA-N 0 1 298.386 3.775 20 0 CHADMN Cc1cc2ccccc2c(N2CC[C@H]3CCCO[C@@H]3C2)n1 ZINC001165330985 1133240653 /nfs/dbraw/zinc/24/06/53/1133240653.db2.gz CHRAXVONHCAINZ-RHSMWYFYSA-N 0 1 282.387 3.549 20 0 CHADMN Cc1ccc(N(C)CCCc2ccccc2)nc1C ZINC001166555194 1133270346 /nfs/dbraw/zinc/27/03/46/1133270346.db2.gz NGXMAXCZPVEXQA-UHFFFAOYSA-N 0 1 254.377 3.767 20 0 CHADMN Cc1cnc(N2CCCC[C@H]2c2cccnc2)cc1C ZINC001166576810 1133272654 /nfs/dbraw/zinc/27/26/54/1133272654.db2.gz DYVXHGHITNQNLJ-INIZCTEOSA-N 0 1 267.376 3.825 20 0 CHADMN CCOc1ccnc(N(C)C23CC4CC(CC(C4)C2)C3)c1 ZINC001166595458 1133273164 /nfs/dbraw/zinc/27/31/64/1133273164.db2.gz SCIVWYNHQLYZQG-UHFFFAOYSA-N 0 1 286.419 3.885 20 0 CHADMN CN(C)c1cccc(N(C)C23CC4CC(CC(C4)C2)C3)n1 ZINC001166590804 1133273557 /nfs/dbraw/zinc/27/35/57/1133273557.db2.gz QUNOQDQVTMFORE-UHFFFAOYSA-N 0 1 285.435 3.553 20 0 CHADMN COc1ccc2c(ccnc2N2CCC[C@H](C(F)F)C2)c1 ZINC001166771819 1133284941 /nfs/dbraw/zinc/28/49/41/1133284941.db2.gz MRGCPGLNGKLRAN-LBPRGKRZSA-N 0 1 292.329 3.725 20 0 CHADMN Cc1cc2cc[nH]c2c(NCCc2ccsc2)n1 ZINC001166784588 1133287158 /nfs/dbraw/zinc/28/71/58/1133287158.db2.gz ZKTAIUXXYRBRQP-UHFFFAOYSA-N 0 1 257.362 3.587 20 0 CHADMN Cc1cnc(NCCc2ccsc2)c2[nH]ccc21 ZINC001166791940 1133287360 /nfs/dbraw/zinc/28/73/60/1133287360.db2.gz UVMGWAWBNQVULP-UHFFFAOYSA-N 0 1 257.362 3.587 20 0 CHADMN Cc1cc(Nc2ccn(C(C)C)c2)n(-c2ccncc2)n1 ZINC001203164337 1133304138 /nfs/dbraw/zinc/30/41/38/1133304138.db2.gz IRNUSOVSZOIHCC-UHFFFAOYSA-N 0 1 281.363 3.702 20 0 CHADMN CCc1cc(CN2CCC[C@@H]2c2ccc(C)cc2)on1 ZINC001203219346 1133306419 /nfs/dbraw/zinc/30/64/19/1133306419.db2.gz MNEMWRFTNFSNPC-QGZVFWFLSA-N 0 1 270.376 3.883 20 0 CHADMN CCc1nc(C)c(CN2CC=C(c3ccccc3)CC2)[nH]1 ZINC001203247097 1133309417 /nfs/dbraw/zinc/30/94/17/1133309417.db2.gz RCPBIZRXYHDZNW-UHFFFAOYSA-N 0 1 281.403 3.570 20 0 CHADMN CCC(CC)Oc1cccc(F)c1N=C1CCOC1 ZINC001203396274 1133322182 /nfs/dbraw/zinc/32/21/82/1133322182.db2.gz ZMUBBHHZBIYPGA-UHFFFAOYSA-N 0 1 265.328 3.719 20 0 CHADMN C[C@H]1CN(Cc2c(F)cccc2Cl)C2(CC2)C1 ZINC001203411139 1133323884 /nfs/dbraw/zinc/32/38/84/1133323884.db2.gz PXCIJOQVDOBNKY-SNVBAGLBSA-N 0 1 253.748 3.854 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccc(O)c1 ZINC001203524850 1133335080 /nfs/dbraw/zinc/33/50/80/1133335080.db2.gz DOONHUQIYKNZJD-UHFFFAOYSA-N 0 1 266.300 3.693 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(F)cnc1OC ZINC001203521604 1133335536 /nfs/dbraw/zinc/33/55/36/1133335536.db2.gz DMIHTQKRNGKWDX-UHFFFAOYSA-N 0 1 299.305 3.530 20 0 CHADMN COc1ccc2c(c1)nccc2N(C)c1ccccc1N ZINC001203526263 1133337362 /nfs/dbraw/zinc/33/73/62/1133337362.db2.gz RUXPNASONHXXJV-UHFFFAOYSA-N 0 1 279.343 3.594 20 0 CHADMN c1cc2cccc(CNCc3noc4ccccc34)c2o1 ZINC001203651651 1133348023 /nfs/dbraw/zinc/34/80/23/1133348023.db2.gz KIKYTWZWSXONAE-UHFFFAOYSA-N 0 1 278.311 3.864 20 0 CHADMN FC(F)(F)c1ccccc1CN1C[C@H]2[C@H](CC2(F)F)C1 ZINC001203686765 1133354189 /nfs/dbraw/zinc/35/41/89/1133354189.db2.gz ITQCDIDJBDCOHG-PWSUYJOCSA-N 0 1 291.263 3.792 20 0 CHADMN COc1cc(C)c(CN2CCc3cc(O)ccc3C2)cc1C ZINC001203756729 1133366777 /nfs/dbraw/zinc/36/67/77/1133366777.db2.gz XXPCOKYVZPCXGF-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN C1=CCN(Cc2cccc(Oc3ccccc3)c2)C1 ZINC001203811992 1133372436 /nfs/dbraw/zinc/37/24/36/1133372436.db2.gz ZZIWZWSLWUYWDF-UHFFFAOYSA-N 0 1 251.329 3.851 20 0 CHADMN Oc1cccc(CN2CCCC[C@H]2c2cccnc2)c1 ZINC001203860618 1133376503 /nfs/dbraw/zinc/37/65/03/1133376503.db2.gz QHONEILNWLVJGC-KRWDZBQOSA-N 0 1 268.360 3.514 20 0 CHADMN Cc1cccc(CN2CC[C@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001203887192 1133379266 /nfs/dbraw/zinc/37/92/66/1133379266.db2.gz ACNQNYQZZFHSRH-HNNXBMFYSA-N 0 1 291.391 3.521 20 0 CHADMN O=C(c1ccccc1)[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001203915084 1133383302 /nfs/dbraw/zinc/38/33/02/1133383302.db2.gz HUUHUJZGTPSTIS-MRXNPFEDSA-N 0 1 283.346 3.531 20 0 CHADMN CCOC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)[C@@H]1C ZINC001203922785 1133385097 /nfs/dbraw/zinc/38/50/97/1133385097.db2.gz AVWDHCMKAUNILM-DOMZBBRYSA-N 0 1 295.810 3.504 20 0 CHADMN CCCCOc1ccc(CN2CC3(CCC3)C2)cc1 ZINC001203972026 1133390850 /nfs/dbraw/zinc/39/08/50/1133390850.db2.gz BCLLGQZXXHBMCG-UHFFFAOYSA-N 0 1 259.393 3.851 20 0 CHADMN CCCCOc1ccc(CN2CCOC[C@@H]2C(C)C)cc1 ZINC001203972594 1133391738 /nfs/dbraw/zinc/39/17/38/1133391738.db2.gz XLLBPHCDKYYZQL-GOSISDBHSA-N 0 1 291.435 3.722 20 0 CHADMN Cc1nc2ccccn2c1CNCc1ccc(C)cc1Cl ZINC001203975242 1133392204 /nfs/dbraw/zinc/39/22/04/1133392204.db2.gz AIOTUKXLFVFSDZ-UHFFFAOYSA-N 0 1 299.805 3.894 20 0 CHADMN COc1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c2ccccc12 ZINC001203991423 1133394989 /nfs/dbraw/zinc/39/49/89/1133394989.db2.gz IIDOFMXYFLALAO-JQFCIGGWSA-N 0 1 285.362 3.638 20 0 CHADMN COc1ccc2ccccc2c1CN1C[C@@H](F)C[C@H]1C ZINC001203987238 1133395019 /nfs/dbraw/zinc/39/50/19/1133395019.db2.gz RQYZRLKFJHMLRK-OCCSQVGLSA-N 0 1 273.351 3.781 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ncccc2C)cc1F ZINC001204037200 1133400526 /nfs/dbraw/zinc/40/05/26/1133400526.db2.gz FRTZLJHDWLHYTL-CYBMUJFWSA-N 0 1 288.366 3.779 20 0 CHADMN O=C1CCN(Cc2ccnc3ccccc23)[C@@H]2CCCC[C@@H]12 ZINC001204085943 1133406317 /nfs/dbraw/zinc/40/63/17/1133406317.db2.gz VCIKVQKAXLUCFI-SJLPKXTDSA-N 0 1 294.398 3.568 20 0 CHADMN Fc1ccccc1[C@@H]1CCCCN1Cc1ccncc1 ZINC001204082796 1133406753 /nfs/dbraw/zinc/40/67/53/1133406753.db2.gz STRAZODQCHJRQT-KRWDZBQOSA-N 0 1 270.351 3.948 20 0 CHADMN c1ccc(-c2ccc(CN3CCOC[C@H]3C3CC3)cc2)cc1 ZINC001204138261 1133410031 /nfs/dbraw/zinc/41/00/31/1133410031.db2.gz GOLGTXOTJVVRRS-FQEVSTJZSA-N 0 1 293.410 3.964 20 0 CHADMN C[C@]1(O)CCCCN(Cc2cccc(Cl)c2Cl)C1 ZINC001204181088 1133415927 /nfs/dbraw/zinc/41/59/27/1133415927.db2.gz FOQLWHGCTMCLOW-AWEZNQCLSA-N 0 1 288.218 3.730 20 0 CHADMN C[C@]1(F)CCCN(Cc2cccc(F)c2F)CC1 ZINC001204192854 1133418156 /nfs/dbraw/zinc/41/81/56/1133418156.db2.gz CFEXOLVCSNXMIF-AWEZNQCLSA-N 0 1 257.299 3.679 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cccc(F)c2F)CC1 ZINC001204192856 1133418185 /nfs/dbraw/zinc/41/81/85/1133418185.db2.gz CFEXOLVCSNXMIF-CQSZACIVSA-N 0 1 257.299 3.679 20 0 CHADMN C[C@@H]1CN(Cc2nccn2C2CC2)CC[C@H]1c1ccccc1 ZINC001204205109 1133419278 /nfs/dbraw/zinc/41/92/78/1133419278.db2.gz OJTAGOVQXXICDH-CRAIPNDOSA-N 0 1 295.430 3.844 20 0 CHADMN C[C@H]1CN(Cc2nccn2C2CC2)CC[C@H]1c1ccccc1 ZINC001204205110 1133419722 /nfs/dbraw/zinc/41/97/22/1133419722.db2.gz OJTAGOVQXXICDH-MAUKXSAKSA-N 0 1 295.430 3.844 20 0 CHADMN COC(=O)c1ccc([C@H]2CCCCN2Cc2ccoc2)cc1 ZINC001204248061 1133424648 /nfs/dbraw/zinc/42/46/48/1133424648.db2.gz SHBVIHJAFJUACR-QGZVFWFLSA-N 0 1 299.370 3.793 20 0 CHADMN CCCn1cc(CN2CCC[C@H]2c2cccc(C)c2C)nn1 ZINC001204250397 1133424761 /nfs/dbraw/zinc/42/47/61/1133424761.db2.gz RNIAKFYRPZSTNM-SFHVURJKSA-N 0 1 298.434 3.642 20 0 CHADMN CCc1ccc(CN2CCCC[C@H]2c2cccnc2)o1 ZINC001204392282 1133440941 /nfs/dbraw/zinc/44/09/41/1133440941.db2.gz CTQWLDVWQFRKFV-KRWDZBQOSA-N 0 1 270.376 3.964 20 0 CHADMN Fc1ccc(CN2CC3CCC2CC3)c(Cl)c1 ZINC001204437409 1133447070 /nfs/dbraw/zinc/44/70/70/1133447070.db2.gz VFPJMLCQTSDGQA-UHFFFAOYSA-N 0 1 253.748 3.854 20 0 CHADMN CCCOC1CCN(Cc2ccc(Cl)s2)CC1 ZINC001204445838 1133448993 /nfs/dbraw/zinc/44/89/93/1133448993.db2.gz XBVFXLPYQITZJK-UHFFFAOYSA-N 0 1 273.829 3.793 20 0 CHADMN CCN(Cc1ccc(C(F)(F)F)cc1F)C1CC1 ZINC001204463276 1133449605 /nfs/dbraw/zinc/44/96/05/1133449605.db2.gz LODUEXKTEDMZSE-UHFFFAOYSA-N 0 1 261.262 3.829 20 0 CHADMN CC(C)Oc1ccc(CN2CCC[C@@H]2c2cnccn2)cc1 ZINC001204455167 1133449805 /nfs/dbraw/zinc/44/98/05/1133449805.db2.gz QJNCKGXINVNZRZ-GOSISDBHSA-N 0 1 297.402 3.601 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2cccnc2)oc1C ZINC001204531767 1133459321 /nfs/dbraw/zinc/45/93/21/1133459321.db2.gz NYPPZHVMTLSILX-MRXNPFEDSA-N 0 1 256.349 3.629 20 0 CHADMN Cc1cc(CN2CCC(C(F)(F)F)CC2)oc1C ZINC001204537060 1133460126 /nfs/dbraw/zinc/46/01/26/1133460126.db2.gz RCIIIRICKRXCAX-UHFFFAOYSA-N 0 1 261.287 3.671 20 0 CHADMN Cc1cc(CN2CCc3c(C)cccc3C2)oc1C ZINC001204530644 1133460208 /nfs/dbraw/zinc/46/02/08/1133460208.db2.gz GBEAYGGXRLYYEA-UHFFFAOYSA-N 0 1 255.361 3.763 20 0 CHADMN COc1cc(CN2Cc3ccccc3C[C@H]2C)ccc1F ZINC001204564521 1133462912 /nfs/dbraw/zinc/46/29/12/1133462912.db2.gz VXXYDNLCBPDNOZ-CYBMUJFWSA-N 0 1 285.362 3.781 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)c(F)c1 ZINC001204579113 1133463659 /nfs/dbraw/zinc/46/36/59/1133463659.db2.gz GEOSXMSHCVDJMS-QGZVFWFLSA-N 0 1 269.363 3.951 20 0 CHADMN Cc1nc[nH]c1C[N@H+](C)Cc1cccc2ccccc21 ZINC001204589076 1133464668 /nfs/dbraw/zinc/46/46/68/1133464668.db2.gz QNQFDRSHRYNSET-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN Cc1nc[nH]c1CN(C)Cc1cccc2ccccc21 ZINC001204589076 1133464671 /nfs/dbraw/zinc/46/46/71/1133464671.db2.gz QNQFDRSHRYNSET-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN CCn1cnc(Cl)c1CN1CCC[C@H]1C(C)(C)C ZINC001204609178 1133467149 /nfs/dbraw/zinc/46/71/49/1133467149.db2.gz OVGIEYXPVDPGOL-LBPRGKRZSA-N 0 1 269.820 3.567 20 0 CHADMN CCOc1cc(C[N@@H+]2CC=C(C(C)(C)C)CC2)ccc1O ZINC001204648911 1133470903 /nfs/dbraw/zinc/47/09/03/1133470903.db2.gz XVXWDDAZVRFZCD-UHFFFAOYSA-N 0 1 289.419 3.969 20 0 CHADMN C[C@H]1CN(Cc2ccc(C(F)(F)F)nc2Cl)C[C@H]1C ZINC001204770080 1133482708 /nfs/dbraw/zinc/48/27/08/1133482708.db2.gz YNFVRYLYBABBHH-DTORHVGOSA-N 0 1 292.732 3.842 20 0 CHADMN C[C@@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1C ZINC001204767396 1133482713 /nfs/dbraw/zinc/48/27/13/1133482713.db2.gz BVUGLMSMVVDDDG-NXEZZACHSA-N 0 1 275.289 3.932 20 0 CHADMN CN[C@H](c1nc(-c2ccc3c(ccn3C)c2)no1)C(C)(C)C ZINC001204890861 1133496198 /nfs/dbraw/zinc/49/61/98/1133496198.db2.gz XNUHVWNUZWEMOP-CQSZACIVSA-N 0 1 298.390 3.535 20 0 CHADMN CC[C@H](C)[C@H](CN1C[C@@H](C)O[C@@H](c2ccccc2)C1)OC ZINC001204899198 1133497638 /nfs/dbraw/zinc/49/76/38/1133497638.db2.gz PFYWFBKWPZQYRN-CIRFHOKZSA-N 0 1 291.435 3.510 20 0 CHADMN COCOc1ccc(-c2cccc3cncn32)cc1Cl ZINC001205042541 1133519661 /nfs/dbraw/zinc/51/96/61/1133519661.db2.gz SXWMBMVPVQHROF-UHFFFAOYSA-N 0 1 288.734 3.637 20 0 CHADMN C/C=C/CO[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001205051157 1133520183 /nfs/dbraw/zinc/52/01/83/1133520183.db2.gz KHDBAOWETYMYET-FAAWYNLUSA-N 0 1 265.784 3.507 20 0 CHADMN C[C@@H]1CCCN(Cc2cccc(F)c2OC(F)F)C1 ZINC001205046585 1133520405 /nfs/dbraw/zinc/52/04/05/1133520405.db2.gz SSLWMWDEUXYSMD-SNVBAGLBSA-N 0 1 273.298 3.659 20 0 CHADMN Cc1cccc(CN2CCC(=O)[C@H]3CCCC[C@@H]32)c1C ZINC001205061025 1133522916 /nfs/dbraw/zinc/52/29/16/1133522916.db2.gz ZJAYYIVLFAYADK-IRXDYDNUSA-N 0 1 271.404 3.637 20 0 CHADMN CNc1ccccc1CN(Cc1ccc(C)o1)C1CC1 ZINC001205082598 1133525700 /nfs/dbraw/zinc/52/57/00/1133525700.db2.gz OKNXYPPLTWQGHZ-UHFFFAOYSA-N 0 1 270.376 3.794 20 0 CHADMN COc1cc(Cl)cc(-c2cccc3nc[nH]c32)c1 ZINC001205129513 1133534319 /nfs/dbraw/zinc/53/43/19/1133534319.db2.gz JVOXERNRCSZADO-UHFFFAOYSA-N 0 1 258.708 3.892 20 0 CHADMN CCCn1cncc1CN1CCC[C@H]1c1cccc(OC)c1 ZINC001205170365 1133540527 /nfs/dbraw/zinc/54/05/27/1133540527.db2.gz QAQMYYZNPMAPOK-SFHVURJKSA-N 0 1 299.418 3.639 20 0 CHADMN Cc1ccc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)cc1F ZINC001205215231 1133547874 /nfs/dbraw/zinc/54/78/74/1133547874.db2.gz NYVMSZUWUIMHFZ-BETUJISGSA-N 0 1 269.310 3.611 20 0 CHADMN c1ccc(Oc2ccc(-c3cccc4[nH]nnc43)cn2)cc1 ZINC001205356075 1133569266 /nfs/dbraw/zinc/56/92/66/1133569266.db2.gz TVTKJTCWHVWQMI-UHFFFAOYSA-N 0 1 288.310 3.812 20 0 CHADMN Cc1ccc(CCN[C@@H]2COc3cc(F)cc(F)c32)cc1 ZINC001205393663 1133573493 /nfs/dbraw/zinc/57/34/93/1133573493.db2.gz CDNFXXISNSJSMA-OAHLLOKOSA-N 0 1 289.325 3.539 20 0 CHADMN FC(F)(F)c1ccc(CN2CC(c3ccccc3)C2)cn1 ZINC001205442233 1133578206 /nfs/dbraw/zinc/57/82/06/1133578206.db2.gz VPGHNISXDKSPEX-UHFFFAOYSA-N 0 1 292.304 3.700 20 0 CHADMN CC(C)c1cccc2c1CC[N@@H+](Cc1ccn(C)c1)C2 ZINC001205640018 1133597124 /nfs/dbraw/zinc/59/71/24/1133597124.db2.gz SWEXEWROAYRTPG-UHFFFAOYSA-N 0 1 268.404 3.707 20 0 CHADMN CN(Cc1cccnc1Br)[C@H]1CCC(C)(C)C1 ZINC001205640159 1133598250 /nfs/dbraw/zinc/59/82/50/1133598250.db2.gz YBHPWAXOIBBODB-LBPRGKRZSA-N 0 1 297.240 3.855 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)N[C@H]3CC[C@H]3C)n2)cc1F ZINC001205656975 1133600262 /nfs/dbraw/zinc/60/02/62/1133600262.db2.gz WCPYPHKMAOCBMR-SUNKGSAMSA-N 0 1 289.354 3.633 20 0 CHADMN Nc1c(F)cccc1CN1Cc2ccccc2C2(CCC2)C1 ZINC001205746898 1133609374 /nfs/dbraw/zinc/60/93/74/1133609374.db2.gz DBZWVQISLRPNNC-UHFFFAOYSA-N 0 1 296.389 3.845 20 0 CHADMN CC(C)C(CN1C[C@H](C(F)(F)F)OC[C@@H]1C)C(C)C ZINC001205747814 1133609573 /nfs/dbraw/zinc/60/95/73/1133609573.db2.gz NEEISIDJJFLSGD-WCQYABFASA-N 0 1 281.362 3.566 20 0 CHADMN c1ccc2c(c1)CC[C@H]2CNc1ccc2c(n1)CCC2 ZINC001205849351 1133622361 /nfs/dbraw/zinc/62/23/61/1133622361.db2.gz PAQRGGJNGRXAOE-HNNXBMFYSA-N 0 1 264.372 3.712 20 0 CHADMN C[C@@H]1CCCN(Cc2cccc(Br)n2)C[C@@H]1C ZINC001205941135 1133633137 /nfs/dbraw/zinc/63/31/37/1133633137.db2.gz LMAHOWIOWXOEBY-NEPJUHHUSA-N 0 1 297.240 3.712 20 0 CHADMN Cc1nc(CN2CCC3(CCCc4ccccc43)CC2)co1 ZINC001206050361 1133649407 /nfs/dbraw/zinc/64/94/07/1133649407.db2.gz XKIFNFYVKDIHPU-UHFFFAOYSA-N 0 1 296.414 3.853 20 0 CHADMN CCC(CC)N(CC)Cc1c(Cl)ncn1CC ZINC001206069470 1133652710 /nfs/dbraw/zinc/65/27/10/1133652710.db2.gz JMOVXMHMQWNXRY-UHFFFAOYSA-N 0 1 257.809 3.567 20 0 CHADMN CN(C)c1ccnc(-c2cc(F)cc(N3CCCC3)c2)c1 ZINC001206093466 1133656870 /nfs/dbraw/zinc/65/68/70/1133656870.db2.gz KJGDQQRERCVINM-UHFFFAOYSA-N 0 1 285.366 3.554 20 0 CHADMN C[C@@H](CC1CCCCC1)CN1CC(O)(c2ccccc2)C1 ZINC001206100346 1133657552 /nfs/dbraw/zinc/65/75/52/1133657552.db2.gz ZQIMBJCCCBXZOC-INIZCTEOSA-N 0 1 287.447 3.796 20 0 CHADMN CC(C)Oc1cc(-c2[nH]ccc3ncnc2-3)ccc1F ZINC001206155427 1133665136 /nfs/dbraw/zinc/66/51/36/1133665136.db2.gz XLIAOWKQUAKFPQ-UHFFFAOYSA-N 0 1 271.295 3.551 20 0 CHADMN CC(C)Oc1cc(-c2nccc3[nH]cnc32)ccc1F ZINC001206155427 1133665140 /nfs/dbraw/zinc/66/51/40/1133665140.db2.gz XLIAOWKQUAKFPQ-UHFFFAOYSA-N 0 1 271.295 3.551 20 0 CHADMN CCN(Cc1sc(C)nc1C)Cc1cccc(OC)c1 ZINC001206179230 1133667387 /nfs/dbraw/zinc/66/73/87/1133667387.db2.gz KBFCKPIPZOFFDB-UHFFFAOYSA-N 0 1 290.432 3.791 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@]3(CCSC3)C2)c(F)c1 ZINC001206263635 1133678495 /nfs/dbraw/zinc/67/84/95/1133678495.db2.gz POHYWXLXXYOHIA-INIZCTEOSA-N 0 1 297.414 3.992 20 0 CHADMN C[C@H]1[C@H](c2cccc(F)c2)OCCN1C[C@@H]1CC=CCC1 ZINC001206400210 1133698447 /nfs/dbraw/zinc/69/84/47/1133698447.db2.gz HFYFXSABYDNLET-HDMKZQKVSA-N 0 1 289.394 3.944 20 0 CHADMN COc1nc(CNc2nccc(C)c2C2CC2)ccc1C ZINC001206591114 1133722946 /nfs/dbraw/zinc/72/29/46/1133722946.db2.gz OKBYMNNXDMCIFB-UHFFFAOYSA-N 0 1 283.375 3.592 20 0 CHADMN c1cc(CN2CCC(C3CCC3)CC2)n(C2CCC2)n1 ZINC001206597235 1133725180 /nfs/dbraw/zinc/72/51/80/1133725180.db2.gz DYRFVKVFGVZLFQ-UHFFFAOYSA-N 0 1 273.424 3.620 20 0 CHADMN COc1cc(C)ccc1CN1CCCC[C@](C)(F)C1 ZINC001206742409 1133739296 /nfs/dbraw/zinc/73/92/96/1133739296.db2.gz YWNVEKOQRHAOCG-INIZCTEOSA-N 0 1 265.372 3.718 20 0 CHADMN Cc1nc(-c2cc(F)c(O)cc2F)cc(C(C)C)n1 ZINC001206755961 1133742688 /nfs/dbraw/zinc/74/26/88/1133742688.db2.gz SAETXHWFYSFOMC-UHFFFAOYSA-N 0 1 264.275 3.559 20 0 CHADMN Oc1cc(F)c(-c2ccc(F)c(C(F)(F)F)n2)cc1F ZINC001206760631 1133743749 /nfs/dbraw/zinc/74/37/49/1133743749.db2.gz BBKNTWKJNWZKKN-UHFFFAOYSA-N 0 1 293.166 3.890 20 0 CHADMN Cc1cnc(-c2cc(F)c(O)cc2F)c2[nH]ccc21 ZINC001206768809 1133745960 /nfs/dbraw/zinc/74/59/60/1133745960.db2.gz ZVGOOLKNKVTVNO-UHFFFAOYSA-N 0 1 260.243 3.522 20 0 CHADMN Cn1cccc1-c1ccc(-c2cc(F)c(O)cc2F)nc1 ZINC001206775970 1133747052 /nfs/dbraw/zinc/74/70/52/1133747052.db2.gz SXBIOOMLOFBGHX-UHFFFAOYSA-N 0 1 286.281 3.738 20 0 CHADMN CN(Cc1cc(-c2ccc(F)cc2)on1)C[C@H]1CC1(C)C ZINC001206836734 1133754559 /nfs/dbraw/zinc/75/45/59/1133754559.db2.gz QSVGFLNEFMIHDA-CYBMUJFWSA-N 0 1 288.366 3.959 20 0 CHADMN COc1ccc(-c2cc(CN3C[C@H](C)CC34CC4)no2)cc1 ZINC001206828599 1133754609 /nfs/dbraw/zinc/75/46/09/1133754609.db2.gz BFWFZQLKAJFNKJ-CYBMUJFWSA-N 0 1 298.386 3.725 20 0 CHADMN Cc1ccnc(CN2CC=C(c3ccccc3)CC2)c1 ZINC001206853263 1133756538 /nfs/dbraw/zinc/75/65/38/1133756538.db2.gz OOHUXTOGJTXPSH-UHFFFAOYSA-N 0 1 264.372 3.679 20 0 CHADMN CC1(c2ccccc2)CCN(Cc2ncccc2F)CC1 ZINC001207035778 1133761529 /nfs/dbraw/zinc/76/15/29/1133761529.db2.gz OBNYBXLAUQTGQS-UHFFFAOYSA-N 0 1 284.378 3.774 20 0 CHADMN CCCc1cccc(CN2CCc3c(O)cccc3C2)c1 ZINC001207048324 1133762543 /nfs/dbraw/zinc/76/25/43/1133762543.db2.gz BQJYNJCOEMMUND-UHFFFAOYSA-N 0 1 281.399 3.903 20 0 CHADMN CCc1nccc(CN(Cc2ccccc2)C2CCC2)n1 ZINC001207090397 1133766435 /nfs/dbraw/zinc/76/64/35/1133766435.db2.gz WOWXOSRZZPMKGJ-UHFFFAOYSA-N 0 1 281.403 3.594 20 0 CHADMN CC[C@@H]1CCCN1CCc1c(Cl)nc(C)nc1Cl ZINC001207338118 1133793038 /nfs/dbraw/zinc/79/30/38/1133793038.db2.gz UHXQVGVYDKKZGH-SNVBAGLBSA-N 0 1 288.222 3.509 20 0 CHADMN C[C@H]1c2cccn2CCN1CCc1cccc(Cl)c1 ZINC001207425460 1133799922 /nfs/dbraw/zinc/79/99/22/1133799922.db2.gz IDHUIMUGBMMWST-ZDUSSCGKSA-N 0 1 274.795 3.761 20 0 CHADMN Fc1ccccc1CCN1CC[C@@H]1COCc1ccccc1 ZINC001207502454 1133809520 /nfs/dbraw/zinc/80/95/20/1133809520.db2.gz ZSAHEWIQDXWQSU-GOSISDBHSA-N 0 1 299.389 3.659 20 0 CHADMN C[C@H]1CN(CCc2ccc(F)cc2)[C@@H](c2ccccc2)CO1 ZINC001207518673 1133813791 /nfs/dbraw/zinc/81/37/91/1133813791.db2.gz PNEYHYZGSHCUES-HNAYVOBHSA-N 0 1 299.389 3.830 20 0 CHADMN [O-]c1cc(F)c(CC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)c(F)c1 ZINC001207658682 1133836671 /nfs/dbraw/zinc/83/66/71/1133836671.db2.gz SNGUGCWSWWCTAE-CHWSQXEVSA-N 0 1 295.373 3.771 20 0 CHADMN CC(C)=CCCC1=CC[C@H](CN2CCC23COC3)CC1 ZINC001207940683 1133868314 /nfs/dbraw/zinc/86/83/14/1133868314.db2.gz NJZXDURNIIFDJL-KRWDZBQOSA-N 0 1 275.436 3.934 20 0 CHADMN CC(C)c1nc(CN(C)CC2(C)CCOCC2)cs1 ZINC001208077012 1133873674 /nfs/dbraw/zinc/87/36/74/1133873674.db2.gz OUMGWHUWDCKJIH-UHFFFAOYSA-N 0 1 282.453 3.515 20 0 CHADMN CCOCc1noc2c1CN(CCCC1CCCC1)CC2 ZINC001208091184 1133874322 /nfs/dbraw/zinc/87/43/22/1133874322.db2.gz RNWNFPYMOMZLBU-UHFFFAOYSA-N 0 1 292.423 3.540 20 0 CHADMN Cc1ccc([C@H](C)CCN2CCc3nc(C)sc3C2)o1 ZINC001208154203 1133889156 /nfs/dbraw/zinc/88/91/56/1133889156.db2.gz DWWQVPHTMOMOCA-LLVKDONJSA-N 0 1 290.432 3.905 20 0 CHADMN Cc1cc2c(cn1)CN(C[C@@H]1CCC(C)=C[C@H]1C)C2 ZINC001208181404 1133900154 /nfs/dbraw/zinc/90/01/54/1133900154.db2.gz MCXNKOKPAGOSTG-HIFRSBDPSA-N 0 1 256.393 3.698 20 0 CHADMN Cc1cc2c(cn1)CN(C[C@H]1CCC(C)=C[C@@H]1C)C2 ZINC001208181403 1133901083 /nfs/dbraw/zinc/90/10/83/1133901083.db2.gz MCXNKOKPAGOSTG-DZGCQCFKSA-N 0 1 256.393 3.698 20 0 CHADMN COC(C)(C)CCC[C@H](C)CCN1CC(OC(C)C)C1 ZINC001208220025 1133910814 /nfs/dbraw/zinc/91/08/14/1133910814.db2.gz SNMJSQYLBSIJLC-HNNXBMFYSA-N 0 1 285.472 3.717 20 0 CHADMN C[C@@H](CN(C)Cc1ncccn1)c1cccc2ccccc21 ZINC001208702420 1133930299 /nfs/dbraw/zinc/93/02/99/1133930299.db2.gz AMBIEIVINMJXAD-HNNXBMFYSA-N 0 1 291.398 3.865 20 0 CHADMN C[C@H](CN1CCC(=O)[C@@H](F)CC1)c1cccc2ccccc21 ZINC001208703731 1133932757 /nfs/dbraw/zinc/93/27/57/1133932757.db2.gz FSANSPMINCNQNI-KDOFPFPSSA-N 0 1 299.389 3.946 20 0 CHADMN CO[C@H]1CN(C[C@H](C)c2cccc3ccccc32)C[C@@H]1F ZINC001208707275 1133932923 /nfs/dbraw/zinc/93/29/23/1133932923.db2.gz RIZTYTPYKZMJGT-KKXDTOCCSA-N 0 1 287.378 3.612 20 0 CHADMN CC/C=C\CC[N@H+]1CCN(CC2CC2)c2nc(C)ccc2C1 ZINC001208728027 1133936027 /nfs/dbraw/zinc/93/60/27/1133936027.db2.gz NBALATRVAGVEQR-PLNGDYQASA-N 0 1 299.462 3.778 20 0 CHADMN CC/C=C\CCN1CCN(CC2CC2)c2nc(C)ccc2C1 ZINC001208728027 1133936029 /nfs/dbraw/zinc/93/60/29/1133936029.db2.gz NBALATRVAGVEQR-PLNGDYQASA-N 0 1 299.462 3.778 20 0 CHADMN C[C@@H]1CN(CCCc2ccccc2Cl)C[C@@H]1F ZINC001208872601 1133956690 /nfs/dbraw/zinc/95/66/90/1133956690.db2.gz RQGUVVXFZRJDGN-RISCZKNCSA-N 0 1 255.764 3.562 20 0 CHADMN F[C@H]1CN(CCCc2ccccc2Cl)C[C@@H]2C[C@@H]21 ZINC001208871210 1133955526 /nfs/dbraw/zinc/95/55/26/1133955526.db2.gz CYKYUJWJJYENGH-YDHLFZDLSA-N 0 1 267.775 3.562 20 0 CHADMN FC[C@H]1CCCN1CCCc1ccccc1Cl ZINC001208873539 1133956351 /nfs/dbraw/zinc/95/63/51/1133956351.db2.gz GJJZNPRITBTTQF-CYBMUJFWSA-N 0 1 255.764 3.707 20 0 CHADMN C[C@@H](CN1CCCC[C@H]1c1cccnc1)C(F)(F)F ZINC001208894501 1133958041 /nfs/dbraw/zinc/95/80/41/1133958041.db2.gz UVSOKDJHRCJNJF-AAEUAGOBSA-N 0 1 272.314 3.807 20 0 CHADMN CCc1ncsc1N=C1CCN(c2ccccc2)CC1 ZINC001209057481 1133970468 /nfs/dbraw/zinc/97/04/68/1133970468.db2.gz NMAJMOZJOOOCRC-UHFFFAOYSA-N 0 1 285.416 3.912 20 0 CHADMN F[C@@H]1CCCN(CCc2ccc(C(F)(F)F)cc2)C1 ZINC001209128699 1133978592 /nfs/dbraw/zinc/97/85/92/1133978592.db2.gz LXKITEOXMOVSJP-CYBMUJFWSA-N 0 1 275.289 3.682 20 0 CHADMN C[C@H]1CCN(CCc2cccc(C(F)(F)F)c2)CCC1=O ZINC001209123501 1133978632 /nfs/dbraw/zinc/97/86/32/1133978632.db2.gz YIYBZTAUNRHHIN-LBPRGKRZSA-N 0 1 299.336 3.549 20 0 CHADMN C[C@]1(F)CCCCN(CCc2cc(F)cc(F)c2)C1 ZINC001209129041 1133979114 /nfs/dbraw/zinc/97/91/14/1133979114.db2.gz SXAODLNICBRWSR-HNNXBMFYSA-N 0 1 271.326 3.721 20 0 CHADMN Fc1cc(F)cc(CCN2CCC(C(F)(F)F)CC2)c1 ZINC001209128761 1133979395 /nfs/dbraw/zinc/97/93/95/1133979395.db2.gz PYVOBUDBGGNTMC-UHFFFAOYSA-N 0 1 293.279 3.782 20 0 CHADMN COCCN1[C@@H]2Cc3ccccc3[C@@]1(C)c1ccccc12 ZINC001209211809 1133989896 /nfs/dbraw/zinc/98/98/96/1133989896.db2.gz ZVLNEVRTAXJMQX-MOPGFXCFSA-N 0 1 279.383 3.509 20 0 CHADMN CC(=O)[C@@H]1CCCN(CCc2ccccc2C(F)(F)F)C1 ZINC001209284532 1134002052 /nfs/dbraw/zinc/00/20/52/1134002052.db2.gz VBABVQRWAYUGLY-CQSZACIVSA-N 0 1 299.336 3.549 20 0 CHADMN CC/C=C\CCCCCCN1CCn2nccc2C1 ZINC001209289094 1134004163 /nfs/dbraw/zinc/00/41/63/1134004163.db2.gz YKIXEGRWHITBQX-ARJAWSKDSA-N 0 1 261.413 3.615 20 0 CHADMN Cc1ccc2[nH]cc(CN3CC[C@@](C)(F)[C@@H](F)C3)c2c1 ZINC001209490854 1134028374 /nfs/dbraw/zinc/02/83/74/1134028374.db2.gz KDVAADKJIPRDGY-JKSUJKDBSA-N 0 1 278.346 3.748 20 0 CHADMN c1ccc(CN(Cc2cc3c(cn2)OCCC3)C2CC2)cc1 ZINC001209510057 1134032031 /nfs/dbraw/zinc/03/20/31/1134032031.db2.gz GXCHRBCYVBHPBE-UHFFFAOYSA-N 0 1 294.398 3.571 20 0 CHADMN O=C1CCN(Cc2ccc3cc[nH]c3c2)[C@@H]2CCCC[C@H]12 ZINC001209507310 1134032603 /nfs/dbraw/zinc/03/26/03/1134032603.db2.gz IUMJKOUZCPUYLO-DOTOQJQBSA-N 0 1 282.387 3.502 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2c[nH]c3ncc(Cl)cc23)C1 ZINC001209592825 1134040951 /nfs/dbraw/zinc/04/09/51/1134040951.db2.gz PHHWEXNRAMCYTI-OAHLLOKOSA-N 0 1 295.789 3.930 20 0 CHADMN C[C@]1(F)CCCCN(Cc2c[nH]c3ncc(Cl)cc23)C1 ZINC001209592822 1134041375 /nfs/dbraw/zinc/04/13/75/1134041375.db2.gz PHHWEXNRAMCYTI-HNNXBMFYSA-N 0 1 295.789 3.930 20 0 CHADMN Cc1cc(Cl)ncc1CN(C)Cc1ccccc1 ZINC001209627744 1134043565 /nfs/dbraw/zinc/04/35/65/1134043565.db2.gz DCEJHHLCITXKCH-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Clc1ccc2n[nH]c(C[N@H+]3CCC34CCCC4)c2c1 ZINC001209752689 1134056984 /nfs/dbraw/zinc/05/69/84/1134056984.db2.gz KXDSYWJBDGQCII-UHFFFAOYSA-N 0 1 275.783 3.735 20 0 CHADMN CCN(Cc1cn(C)c2ncccc12)Cc1ccccc1F ZINC001209749612 1134058288 /nfs/dbraw/zinc/05/82/88/1134058288.db2.gz HYDMAVZQOJSIKQ-UHFFFAOYSA-N 0 1 297.377 3.735 20 0 CHADMN C[C@@H]1CC[N@H+](Cc2n[nH]c3ccc(Cl)cc32)[C@@H](C)C1 ZINC001209755463 1134058356 /nfs/dbraw/zinc/05/83/56/1134058356.db2.gz LRJGNLDTWFSZGH-MNOVXSKESA-N 0 1 277.799 3.837 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)[C@@H](C)C1 ZINC001209755463 1134058362 /nfs/dbraw/zinc/05/83/62/1134058362.db2.gz LRJGNLDTWFSZGH-MNOVXSKESA-N 0 1 277.799 3.837 20 0 CHADMN C[C@@H]1CCN(Cc2[nH]nc3ccc(Cl)cc32)[C@@H](C)C1 ZINC001209755463 1134058368 /nfs/dbraw/zinc/05/83/68/1134058368.db2.gz LRJGNLDTWFSZGH-MNOVXSKESA-N 0 1 277.799 3.837 20 0 CHADMN C[C@@H]1CCN(Cc2n[nH]c3ccc(Cl)cc32)[C@@H](C)C1 ZINC001209755463 1134058374 /nfs/dbraw/zinc/05/83/74/1134058374.db2.gz LRJGNLDTWFSZGH-MNOVXSKESA-N 0 1 277.799 3.837 20 0 CHADMN F[C@H]1CCC[N@@H+](Cc2[nH]nc3ccc(Cl)cc32)CC1 ZINC001209751629 1134059564 /nfs/dbraw/zinc/05/95/64/1134059564.db2.gz SXVVFVRKEPFARE-NSHDSACASA-N 0 1 281.762 3.540 20 0 CHADMN Clc1nc2ccccc2nc1Nc1ccc2nc[nH]c2c1 ZINC001209843497 1134078502 /nfs/dbraw/zinc/07/85/02/1134078502.db2.gz YQDVOTZDOAYMND-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN c1nc2ccc(Nc3csc4cnccc34)cc2[nH]1 ZINC001209843802 1134078775 /nfs/dbraw/zinc/07/87/75/1134078775.db2.gz IFOZOVRRWVELNY-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN FC(F)(F)c1ccncc1Nc1ccc2nc[nH]c2c1 ZINC001209843049 1134078804 /nfs/dbraw/zinc/07/88/04/1134078804.db2.gz UNDJVVAJYCBIFQ-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN c1nc2ccc(Nc3cncc4ccccc43)cc2[nH]1 ZINC001209841557 1134079448 /nfs/dbraw/zinc/07/94/48/1134079448.db2.gz VDLFDOWGZQEUCZ-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN Oc1ccccc1-c1cc(Nc2ccc3nc[nH]c3c2)on1 ZINC001209848049 1134082191 /nfs/dbraw/zinc/08/21/91/1134082191.db2.gz KXBVHPGSIYDPIJ-UHFFFAOYSA-N 0 1 292.298 3.667 20 0 CHADMN CC(=O)c1cccc(Nc2ccc3nc[nH]c3c2)c1C ZINC001209850572 1134082988 /nfs/dbraw/zinc/08/29/88/1134082988.db2.gz BXMODAILPHTOPE-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN c1nc2ccc(Nc3cccc4c3CCCO4)cc2[nH]1 ZINC001209850973 1134083318 /nfs/dbraw/zinc/08/33/18/1134083318.db2.gz PPLJZLVNKRVGGM-UHFFFAOYSA-N 0 1 265.316 3.632 20 0 CHADMN O[C@@H]1CCCc2ccc(Nc3ccc4nc[nH]c4c3)cc21 ZINC001209850445 1134084573 /nfs/dbraw/zinc/08/45/73/1134084573.db2.gz AYUNPADLMZTJNY-QGZVFWFLSA-N 0 1 279.343 3.676 20 0 CHADMN COc1cccc2ncc(Nc3ccc4nc[nH]c4c3)cc21 ZINC001209848398 1134084989 /nfs/dbraw/zinc/08/49/89/1134084989.db2.gz MZVGDDCRYQNPRM-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN c1nc2ccc(Nc3cncc(C4CC4)c3)cc2[nH]1 ZINC001209848855 1134085133 /nfs/dbraw/zinc/08/51/33/1134085133.db2.gz SDGYSFCSPOQANQ-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN c1nc2ccc(Nc3ccccc3-c3cnco3)cc2[nH]1 ZINC001209849433 1134085651 /nfs/dbraw/zinc/08/56/51/1134085651.db2.gz ZQSBAGZKLVZKGW-UHFFFAOYSA-N 0 1 276.299 3.962 20 0 CHADMN O=C1CCCc2cc(Nc3ccc4nc[nH]c4c3)ccc2N1 ZINC001209852080 1134086163 /nfs/dbraw/zinc/08/61/63/1134086163.db2.gz UKZNPNOORHQDMF-UHFFFAOYSA-N 0 1 292.342 3.581 20 0 CHADMN O=c1ccc2cccc(Nc3ccc4nc[nH]c4c3)c2[nH]1 ZINC001209851289 1134086450 /nfs/dbraw/zinc/08/64/50/1134086450.db2.gz RMNNDMIHILATMP-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN CCOc1ccc(-n2c(N)nc3ccccc32)c(Cl)c1 ZINC001209894057 1134096879 /nfs/dbraw/zinc/09/68/79/1134096879.db2.gz RGUKOACIBVZELL-UHFFFAOYSA-N 0 1 287.750 3.660 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(C(C)C)c(O)cc1C ZINC001209966500 1134111567 /nfs/dbraw/zinc/11/15/67/1134111567.db2.gz CONUATLDKFYHOC-UHFFFAOYSA-N 0 1 271.364 3.853 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(Cl)cc1F ZINC001209968196 1134111628 /nfs/dbraw/zinc/11/16/28/1134111628.db2.gz WMGHMURQJFCICZ-UHFFFAOYSA-N 0 1 251.692 3.508 20 0 CHADMN Cc1ccnc2c(Nc3cnc(N)cc3C)cccc12 ZINC001209970194 1134112260 /nfs/dbraw/zinc/11/22/60/1134112260.db2.gz XAEZOUHAYIZFID-UHFFFAOYSA-N 0 1 264.332 3.572 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc2c(Cl)nccc12 ZINC001209970022 1134112545 /nfs/dbraw/zinc/11/25/45/1134112545.db2.gz QVPCFVVFPHIEEZ-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc2c3c(cccc31)CC2 ZINC001209969433 1134112559 /nfs/dbraw/zinc/11/25/59/1134112559.db2.gz NWXUETOTLWIOMV-UHFFFAOYSA-N 0 1 275.355 3.968 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(Cl)cc2cnccc21 ZINC001209970889 1134112808 /nfs/dbraw/zinc/11/28/08/1134112808.db2.gz IMCKPPVLISDMTM-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1nc2cc(Cl)c(Nc3cnc(N)cc3C)cc2o1 ZINC001209969554 1134112862 /nfs/dbraw/zinc/11/28/62/1134112862.db2.gz LPNGCAICCNEJRZ-UHFFFAOYSA-N 0 1 288.738 3.819 20 0 CHADMN Cc1cccc2ncc(Nc3ccc4c(c3)OCCCO4)n21 ZINC001210004440 1134120597 /nfs/dbraw/zinc/12/05/97/1134120597.db2.gz YIWRCTHVUDEYBY-UHFFFAOYSA-N 0 1 295.342 3.548 20 0 CHADMN COc1ncc(Nc2cc3cn[nH]c3cc2C)cc1Cl ZINC001210101091 1134146040 /nfs/dbraw/zinc/14/60/40/1134146040.db2.gz BNQIVSGORIWJOA-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(-n2cccn2)cc1 ZINC001210102582 1134146952 /nfs/dbraw/zinc/14/69/52/1134146952.db2.gz QIXVAINQINBHDJ-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN COc1ccc(Nc2cc3cn[nH]c3cc2C)cc1C ZINC001210105342 1134147705 /nfs/dbraw/zinc/14/77/05/1134147705.db2.gz XKDIJTAFEIIMFY-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN COc1ccc(Nc2cc3cn[nH]c3cc2C)c(OC)c1 ZINC001210104974 1134148191 /nfs/dbraw/zinc/14/81/91/1134148191.db2.gz GQHSNQPENQLQHC-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(CO)ccc1Cl ZINC001210106018 1134149096 /nfs/dbraw/zinc/14/90/96/1134149096.db2.gz LZFOMBRPURQMAN-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1cccc2c1nc(N)n2C1=CCC(C)(C)CC1 ZINC001210167254 1134159013 /nfs/dbraw/zinc/15/90/13/1134159013.db2.gz NMYHCKXYEVOEDL-UHFFFAOYSA-N 0 1 255.365 3.978 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cccc(Cl)c1O ZINC001210221238 1134170208 /nfs/dbraw/zinc/17/02/08/1134170208.db2.gz ZJNDBITZTKCXKS-UHFFFAOYSA-N 0 1 291.713 3.884 20 0 CHADMN O=c1[nH][nH]c(=O)c2c(NC3=CCCCCCC3)cccc12 ZINC001210448814 1134216185 /nfs/dbraw/zinc/21/61/85/1134216185.db2.gz AIAZIRZCBJMYSZ-UHFFFAOYSA-N 0 1 285.347 3.691 20 0 CHADMN CNC(=O)c1ccc(N=C2CCCCCCC2)c(F)c1 ZINC001210448977 1134216877 /nfs/dbraw/zinc/21/68/77/1134216877.db2.gz FBOTZTJHJTXJRW-UHFFFAOYSA-N 0 1 276.355 3.835 20 0 CHADMN COc1cc2ccccc2c(-n2c(N)nc3ccccc32)c1 ZINC001210586467 1134256814 /nfs/dbraw/zinc/25/68/14/1134256814.db2.gz TVPKAKNVZOZMEV-UHFFFAOYSA-N 0 1 289.338 3.770 20 0 CHADMN Cc1cc(Nc2ccc(C(C)(C)O)cc2)c2ccccc2n1 ZINC001210614874 1134260709 /nfs/dbraw/zinc/26/07/09/1134260709.db2.gz TXOCSYUKGSOTCL-UHFFFAOYSA-N 0 1 292.382 3.936 20 0 CHADMN CCc1cc(OC)ccc1Nc1ccc2nccn2c1 ZINC001210712153 1134278885 /nfs/dbraw/zinc/27/88/85/1134278885.db2.gz XJQXSAWPTRJTQK-UHFFFAOYSA-N 0 1 267.332 3.649 20 0 CHADMN Oc1c(Cl)cc(Nc2nccs2)cc1Cl ZINC001210922817 1134328197 /nfs/dbraw/zinc/32/81/97/1134328197.db2.gz DHQDFBUXNKONCC-UHFFFAOYSA-N 0 1 261.133 3.899 20 0 CHADMN Nc1cccc(Nc2cc(Cl)c(O)c(Cl)c2)c1O ZINC001210930159 1134329316 /nfs/dbraw/zinc/32/93/16/1134329316.db2.gz GDTQDDYUYBEERI-UHFFFAOYSA-N 0 1 285.130 3.730 20 0 CHADMN C=C(Nc1cc2c(cc1C(C)=O)OCO2)c1ccccc1 ZINC001210989790 1134344320 /nfs/dbraw/zinc/34/43/20/1134344320.db2.gz XPBAGEBPEUXBOC-UHFFFAOYSA-N 0 1 281.311 3.701 20 0 CHADMN CCN1Cc2cc(N=C(C)c3ccccc3)ccc2C1=O ZINC001210989082 1134344371 /nfs/dbraw/zinc/34/43/71/1134344371.db2.gz DAHVAAAVXFOFQC-UHFFFAOYSA-N 0 1 278.355 3.745 20 0 CHADMN Cn1cncc1Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC001211248906 1134398176 /nfs/dbraw/zinc/39/81/76/1134398176.db2.gz RWSQSSMHNSEEBE-UHFFFAOYSA-N 0 1 293.374 3.617 20 0 CHADMN CCCCOc1c(F)c(F)ccc1Nc1cncn1C ZINC001211250718 1134399394 /nfs/dbraw/zinc/39/93/94/1134399394.db2.gz NSSXUJJGLFQTTE-UHFFFAOYSA-N 0 1 281.306 3.621 20 0 CHADMN COc1cnccc1Nc1ccc(N2CCCCCC2)cc1 ZINC001211260071 1134400215 /nfs/dbraw/zinc/40/02/15/1134400215.db2.gz HIEOBBVCTGPHIM-UHFFFAOYSA-N 0 1 297.402 3.636 20 0 CHADMN Cc1nc2cc(Nc3ccc4nsnc4c3)ccc2[nH]1 ZINC001213073167 1134421890 /nfs/dbraw/zinc/42/18/90/1134421890.db2.gz HJTCHFKXSPOVPA-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1nc2cc(Nc3cccc4c3ncn4C)ccc2[nH]1 ZINC001213076720 1134422941 /nfs/dbraw/zinc/42/29/41/1134422941.db2.gz YPEZASLZHYNJMY-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1nc2cc(Nc3ccc(O)c(C)c3C)ccc2[nH]1 ZINC001213075322 1134423768 /nfs/dbraw/zinc/42/37/68/1134423768.db2.gz OJTKFUPLUDMCCX-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN Cc1csc(Nc2ccnc(C(C)(C)C)c2)c1C(N)=O ZINC001213163071 1134432604 /nfs/dbraw/zinc/43/26/04/1134432604.db2.gz UCOVGFPRWDSIMD-UHFFFAOYSA-N 0 1 289.404 3.592 20 0 CHADMN CSc1cc(Nc2ccnc(C(C)(C)C)c2)nn1C ZINC001213164279 1134433103 /nfs/dbraw/zinc/43/31/03/1134433103.db2.gz MORKEGDFHLKDAN-UHFFFAOYSA-N 0 1 276.409 3.578 20 0 CHADMN Cc1ncn(C)c1Nc1cc(F)c(OC(C)C)c(F)c1 ZINC001213420245 1134448026 /nfs/dbraw/zinc/44/80/26/1134448026.db2.gz LOPXJZQUUYHIRW-UHFFFAOYSA-N 0 1 281.306 3.538 20 0 CHADMN COCc1ccc(C)c(Nc2cc(C)cc(C)n2)c1 ZINC001213569072 1134463717 /nfs/dbraw/zinc/46/37/17/1134463717.db2.gz XBMRCEVOJJJUMG-UHFFFAOYSA-N 0 1 256.349 3.897 20 0 CHADMN Cc1cc2cc(-n3c(N)nc4ccc(C)cc43)ccc2[nH]1 ZINC001213784801 1134483414 /nfs/dbraw/zinc/48/34/14/1134483414.db2.gz FFSWGNYOVVDNSS-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN OCc1cc(Nc2ccc3sccc3c2)ccn1 ZINC001213928710 1134497944 /nfs/dbraw/zinc/49/79/44/1134497944.db2.gz ZSDVXJUYLHYABL-UHFFFAOYSA-N 0 1 256.330 3.532 20 0 CHADMN Cc1ccc(-n2c(N)nc3ccccc32)cc1OC(C)C ZINC001214329793 1134529892 /nfs/dbraw/zinc/52/98/92/1134529892.db2.gz QDSKZQVCQLYVOP-UHFFFAOYSA-N 0 1 281.359 3.703 20 0 CHADMN CSc1ccc(Nc2cncn2C)cc1C(F)(F)F ZINC001214468364 1134541532 /nfs/dbraw/zinc/54/15/32/1134541532.db2.gz CKUOCFPWKUHLTD-UHFFFAOYSA-N 0 1 287.310 3.904 20 0 CHADMN Cc1ncn(C)c1Nc1c(F)cc(Cl)cc1Cl ZINC001214549856 1134550207 /nfs/dbraw/zinc/55/02/07/1134550207.db2.gz ROTKQCZPUZNQCV-UHFFFAOYSA-N 0 1 274.126 3.918 20 0 CHADMN Oc1c(Cl)ccc(Nc2cncc(Cl)c2)c1F ZINC001214793390 1134573136 /nfs/dbraw/zinc/57/31/36/1134573136.db2.gz CKMQQUZIIRVNJK-UHFFFAOYSA-N 0 1 273.094 3.977 20 0 CHADMN Cc1ccc(Nc2ccc(Cl)c(O)c2F)c(F)n1 ZINC001214793359 1134573193 /nfs/dbraw/zinc/57/31/93/1134573193.db2.gz AMPKSJFWVGMVMP-UHFFFAOYSA-N 0 1 270.666 3.771 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccc(F)nc2F)c1F ZINC001214796430 1134573568 /nfs/dbraw/zinc/57/35/68/1134573568.db2.gz UZOYLDXYWULWGO-UHFFFAOYSA-N 0 1 274.629 3.602 20 0 CHADMN Cc1ccc(F)c(Nc2ccc(Cl)c(O)c2F)n1 ZINC001214798428 1134574715 /nfs/dbraw/zinc/57/47/15/1134574715.db2.gz QNKMUOKKFMCYBN-UHFFFAOYSA-N 0 1 270.666 3.771 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccc3cncnc3c2)c1F ZINC001214803839 1134575503 /nfs/dbraw/zinc/57/55/03/1134575503.db2.gz ICOAGTVAMMFNAB-UHFFFAOYSA-N 0 1 289.697 3.872 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccnn2C2CCC2)c1F ZINC001214798626 1134575807 /nfs/dbraw/zinc/57/58/07/1134575807.db2.gz YCDZQIZYVXMJJW-UHFFFAOYSA-N 0 1 281.718 3.850 20 0 CHADMN Nc1cc2ccn(-c3ccc(Cl)c(O)c3F)c2cc1F ZINC001214809019 1134576920 /nfs/dbraw/zinc/57/69/20/1134576920.db2.gz DZSZIZAWGZDRQX-UHFFFAOYSA-N 0 1 294.688 3.850 20 0 CHADMN c1nnsc1CN[C@H](c1ccccc1)C1CCCCC1 ZINC000400211629 1134579607 /nfs/dbraw/zinc/57/96/07/1134579607.db2.gz QKDZHMIWTKBTLG-MRXNPFEDSA-N 0 1 287.432 3.949 20 0 CHADMN Cc1ccc(-c2noc(-c3[nH]nc(C4CC4)c3F)n2)c(C)c1 ZINC001214933012 1134581588 /nfs/dbraw/zinc/58/15/88/1134581588.db2.gz YOYMUMMRLVEHQD-UHFFFAOYSA-N 0 1 298.321 3.760 20 0 CHADMN Cc1ccc(N[C@@H]2CCCc3[nH]ncc32)c2cccnc12 ZINC000401614937 1134617592 /nfs/dbraw/zinc/61/75/92/1134617592.db2.gz QFZYUZPWEHAABJ-CQSZACIVSA-N 0 1 278.359 3.756 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2n[nH]cc21)c1ccccc1OC ZINC000401605743 1134618160 /nfs/dbraw/zinc/61/81/60/1134618160.db2.gz IJVYEAORORTPDS-HUUCEWRRSA-N 0 1 285.391 3.537 20 0 CHADMN CCc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1C ZINC000401853682 1134622647 /nfs/dbraw/zinc/62/26/47/1134622647.db2.gz MXWWKJDKXSSGCY-HNNXBMFYSA-N 0 1 255.365 3.770 20 0 CHADMN CCCOc1ccc(-n2c(N)nc3ccccc32)c(F)c1 ZINC001215486210 1134632700 /nfs/dbraw/zinc/63/27/00/1134632700.db2.gz BSRGHEUYSFECRS-UHFFFAOYSA-N 0 1 285.322 3.536 20 0 CHADMN Cc1nc(Cl)ccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215552857 1134639122 /nfs/dbraw/zinc/63/91/22/1134639122.db2.gz HLLFMZSWCPIYFI-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN COc1cc(Nc2cc3[nH]ncc3c(F)c2)cc(Cl)n1 ZINC001215553823 1134639329 /nfs/dbraw/zinc/63/93/29/1134639329.db2.gz JGVZTKUCRIOBOX-UHFFFAOYSA-N 0 1 292.701 3.503 20 0 CHADMN Cc1cc(Nc2cc3[nH]ncc3c(F)c2)n(C(C)(C)C)n1 ZINC001215552713 1134639785 /nfs/dbraw/zinc/63/97/85/1134639785.db2.gz AFTLLPFWOQWXPK-UHFFFAOYSA-N 0 1 287.342 3.706 20 0 CHADMN Fc1cc(Nc2cc(F)c(F)c(F)c2)cc2[nH]ncc21 ZINC001215554791 1134640422 /nfs/dbraw/zinc/64/04/22/1134640422.db2.gz HPHBHSNSQWNYDU-UHFFFAOYSA-N 0 1 281.212 3.863 20 0 CHADMN CCOC(=O)c1cccc(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215556003 1134640552 /nfs/dbraw/zinc/64/05/52/1134640552.db2.gz SSWJSIBKLHPNLK-UHFFFAOYSA-N 0 1 299.305 3.622 20 0 CHADMN Cc1cccc(F)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555647 1134641025 /nfs/dbraw/zinc/64/10/25/1134641025.db2.gz LKULYRIQQPXQJQ-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN CC(=O)c1ccccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555667 1134641102 /nfs/dbraw/zinc/64/11/02/1134641102.db2.gz MJBUFSFIPKVTNX-UHFFFAOYSA-N 0 1 269.279 3.648 20 0 CHADMN CCOc1ccc(F)cc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555956 1134641253 /nfs/dbraw/zinc/64/12/53/1134641253.db2.gz RFJCJCZTGRALOP-UHFFFAOYSA-N 0 1 289.285 3.983 20 0 CHADMN CC(=O)c1c(F)cccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215556381 1134642258 /nfs/dbraw/zinc/64/22/58/1134642258.db2.gz CPFVDIDMPHTVAJ-UHFFFAOYSA-N 0 1 287.269 3.787 20 0 CHADMN OCc1ccc(Nc2cc3[nH]ncc3c(F)c2)cc1Cl ZINC001215556963 1134642317 /nfs/dbraw/zinc/64/23/17/1134642317.db2.gz NIHVORWPNXEPFP-UHFFFAOYSA-N 0 1 291.713 3.591 20 0 CHADMN Cc1cc(OC(C)C)cc(C)c1Nc1ccnc(CO)c1 ZINC001215687985 1134659724 /nfs/dbraw/zinc/65/97/24/1134659724.db2.gz UJWMAHQZTBGZPE-UHFFFAOYSA-N 0 1 286.375 3.722 20 0 CHADMN Cc1cc(OC(C)C)cc(C)c1Nc1ccncc1 ZINC001215686677 1134659876 /nfs/dbraw/zinc/65/98/76/1134659876.db2.gz FNHSJWQZKOAXPH-UHFFFAOYSA-N 0 1 256.349 3.651 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(F)c(OC(C)C)c1F ZINC001215728418 1134668054 /nfs/dbraw/zinc/66/80/54/1134668054.db2.gz LVFHAZDRKVECOK-UHFFFAOYSA-N 0 1 281.306 3.538 20 0 CHADMN Cc1ccc(Nc2cc(Cl)nnc2Cl)c2cn[nH]c21 ZINC001215753644 1134673313 /nfs/dbraw/zinc/67/33/13/1134673313.db2.gz BABGTROPWMUDNI-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1ccc(Nc2ccc(Cl)nc2)c2cn[nH]c21 ZINC001215754121 1134673990 /nfs/dbraw/zinc/67/39/90/1134673990.db2.gz LJEAQZWRNHYJFF-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN COc1ccc(Cl)c(Nc2ccc(C)c3[nH]ncc32)n1 ZINC001215756022 1134675171 /nfs/dbraw/zinc/67/51/71/1134675171.db2.gz JBCCYELJEAJEMR-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1ccc(Nc2ccc([C@H](C)O)cc2)c2cn[nH]c21 ZINC001215758326 1134675863 /nfs/dbraw/zinc/67/58/63/1134675863.db2.gz PRKYMADCWBRFLS-NSHDSACASA-N 0 1 267.332 3.668 20 0 CHADMN CCn1cc2cc(Nc3ccc(C)c4[nH]ncc43)ccc2n1 ZINC001215758247 1134675848 /nfs/dbraw/zinc/67/58/48/1134675848.db2.gz MFEHJZRGTVSPLF-UHFFFAOYSA-N 0 1 291.358 3.985 20 0 CHADMN Cc1ccc(Nc2cccc3cnncc32)c2cn[nH]c21 ZINC001215758275 1134675904 /nfs/dbraw/zinc/67/59/04/1134675904.db2.gz NTMLQFYPSYBHHA-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1ccc(Nc2ccc(Cl)c(CO)c2)c2cn[nH]c21 ZINC001215758687 1134675959 /nfs/dbraw/zinc/67/59/59/1134675959.db2.gz CKAGSIPWMUZJCU-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1ccc(Nc2ccc3nccnc3c2)c2cn[nH]c21 ZINC001215757086 1134676075 /nfs/dbraw/zinc/67/60/75/1134676075.db2.gz LWCKKMAVYOMEAN-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN COc1ccc(C(C)=O)c(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215758646 1134676128 /nfs/dbraw/zinc/67/61/28/1134676128.db2.gz AUZNKNGEXCUMEC-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN CNc1cccc(C)c1Nc1ccc(C)c2[nH]ncc21 ZINC001215760044 1134677110 /nfs/dbraw/zinc/67/71/10/1134677110.db2.gz DYAKNSXTOKXUAI-UHFFFAOYSA-N 0 1 266.348 3.965 20 0 CHADMN Cc1ccc(Nc2ccc3cncnc3c2)c2cn[nH]c21 ZINC001215759130 1134677288 /nfs/dbraw/zinc/67/72/88/1134677288.db2.gz FTXAASGAXFGPNG-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1ccc(Nc2cc(CO)ccc2Cl)c2cn[nH]c21 ZINC001215759865 1134677886 /nfs/dbraw/zinc/67/78/86/1134677886.db2.gz ZUARACKXKHUULT-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1ccc(Nc2ccc3c(c2)CCN3C)c2cn[nH]c21 ZINC001215760325 1134678382 /nfs/dbraw/zinc/67/83/82/1134678382.db2.gz KZSUHDLBLIVDHZ-UHFFFAOYSA-N 0 1 278.359 3.607 20 0 CHADMN Cc1ccc(F)cc1-c1noc(-c2ccc(O)c(F)c2)n1 ZINC001215791776 1134687287 /nfs/dbraw/zinc/68/72/87/1134687287.db2.gz GHIXREGZZJMQSV-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN CSc1cc(F)c(-n2c(N)nc3ccccc32)c(F)c1 ZINC001215841342 1134699689 /nfs/dbraw/zinc/69/96/89/1134699689.db2.gz SBHXKJQZAPYCDN-UHFFFAOYSA-N 0 1 291.326 3.608 20 0 CHADMN Cc1ccc(-c2noc(-c3cccc(F)c3O)n2)cc1 ZINC001215862873 1134706461 /nfs/dbraw/zinc/70/64/61/1134706461.db2.gz IWFIDOZBWKTQNH-UHFFFAOYSA-N 0 1 270.263 3.557 20 0 CHADMN OCc1cc(F)ccc1Nc1cc(Cl)cc2[nH]ncc21 ZINC001215862147 1134706753 /nfs/dbraw/zinc/70/67/53/1134706753.db2.gz QTFCHRVHTAHMME-UHFFFAOYSA-N 0 1 291.713 3.591 20 0 CHADMN Cc1ccc(-c2noc(-c3cccc(F)c3O)n2)cc1C ZINC001215863382 1134706879 /nfs/dbraw/zinc/70/68/79/1134706879.db2.gz YWOHMSRDPPAILO-UHFFFAOYSA-N 0 1 284.290 3.865 20 0 CHADMN CSc1ccc(Cl)cc1Nc1cncn1C ZINC001215910255 1134716476 /nfs/dbraw/zinc/71/64/76/1134716476.db2.gz CWQUPEWXQJGNLW-UHFFFAOYSA-N 0 1 253.758 3.539 20 0 CHADMN Fc1c(Cl)cc(Cl)c(F)c1Nc1ccncc1 ZINC001215937441 1134726498 /nfs/dbraw/zinc/72/64/98/1134726498.db2.gz XVYNISXWNSLYHW-UHFFFAOYSA-N 0 1 275.085 3.832 20 0 CHADMN Cc1ncn(C)c1Nc1cnc(F)c(-c2ccccc2)c1 ZINC001215961343 1134733720 /nfs/dbraw/zinc/73/37/20/1134733720.db2.gz ZUQCCNZAPLXNTR-UHFFFAOYSA-N 0 1 282.322 3.673 20 0 CHADMN COc1ccc(-n2c(N)nc3ccccc32)cc1C(C)C ZINC001216000000 1134746839 /nfs/dbraw/zinc/74/68/39/1134746839.db2.gz AEOYOOJMEIJYCJ-UHFFFAOYSA-N 0 1 281.359 3.740 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1cc(C(C)C)ccc1N ZINC001216016766 1134751330 /nfs/dbraw/zinc/75/13/30/1134751330.db2.gz AXRGRDRTVPYOFN-UHFFFAOYSA-N 0 1 280.375 3.622 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cc(C)c(F)c(O)c1 ZINC001216079191 1134768936 /nfs/dbraw/zinc/76/89/36/1134768936.db2.gz XICMKAFMCRDAJM-UHFFFAOYSA-N 0 1 289.285 3.679 20 0 CHADMN Cc1cc(C)c(N)c(Nc2cc(C)nc3ccccc32)c1 ZINC001216095001 1134775676 /nfs/dbraw/zinc/77/56/76/1134775676.db2.gz CBEWVZKZKMIQMY-UHFFFAOYSA-N 0 1 277.371 3.908 20 0 CHADMN CN(C)Cc1cccc(Nc2cnccc2Cl)c1F ZINC001216227405 1134813334 /nfs/dbraw/zinc/81/33/34/1134813334.db2.gz FKFJDFSDHOXRQZ-UHFFFAOYSA-N 0 1 279.746 3.679 20 0 CHADMN CN(C)Cc1cccc(Nc2ccccc2N(C)C)c1F ZINC001216231460 1134814253 /nfs/dbraw/zinc/81/42/53/1134814253.db2.gz ZRNMKQKTXURCID-UHFFFAOYSA-N 0 1 287.382 3.697 20 0 CHADMN Cc1ccc(Nc2cccc(CN(C)C)c2F)cc1O ZINC001216231950 1134814431 /nfs/dbraw/zinc/81/44/31/1134814431.db2.gz QQAFJDCJDZTHAW-UHFFFAOYSA-N 0 1 274.339 3.645 20 0 CHADMN Cc1c(O)ccc(Nc2cccc(CN(C)C)c2F)c1C ZINC001216232182 1134815218 /nfs/dbraw/zinc/81/52/18/1134815218.db2.gz XKWBVNVZOOHOQA-UHFFFAOYSA-N 0 1 288.366 3.953 20 0 CHADMN CC(=O)c1ccc(Nc2cccc(CN(C)C)c2F)cc1 ZINC001216231085 1134815574 /nfs/dbraw/zinc/81/55/74/1134815574.db2.gz RDDMZDIPZFJYPW-UHFFFAOYSA-N 0 1 286.350 3.834 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc(O)c(Cl)c2)c1F ZINC001216231458 1134816339 /nfs/dbraw/zinc/81/63/39/1134816339.db2.gz KPYGMEHEHHWFBI-UHFFFAOYSA-N 0 1 294.757 3.990 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc(F)c(F)c2O)c1F ZINC001216232891 1134816743 /nfs/dbraw/zinc/81/67/43/1134816743.db2.gz POHWWTSJSRAPNJ-UHFFFAOYSA-N 0 1 296.292 3.615 20 0 CHADMN COc1cc(Nc2ccc3nccn3c2)ccc1C1CC1 ZINC001216249065 1134826458 /nfs/dbraw/zinc/82/64/58/1134826458.db2.gz ZRFNINXOFDMAHX-UHFFFAOYSA-N 0 1 279.343 3.964 20 0 CHADMN Cc1c(CO)ccc(Nc2nnc(C(C)(C)C)o2)c1Cl ZINC001216325588 1134856557 /nfs/dbraw/zinc/85/65/57/1134856557.db2.gz DQVMQVPNJYPHBT-UHFFFAOYSA-N 0 1 295.770 3.565 20 0 CHADMN CCOc1cc(C)c(C)cc1-n1c(N)nc2ccccc21 ZINC001216377509 1134874513 /nfs/dbraw/zinc/87/45/13/1134874513.db2.gz ORZHTYADXLMNGH-UHFFFAOYSA-N 0 1 281.359 3.623 20 0 CHADMN Cc1cc(Nc2cccc(Cl)c2N)c2ccccc2n1 ZINC001216525433 1134915058 /nfs/dbraw/zinc/91/50/58/1134915058.db2.gz YCQXXQWYGCXBLQ-UHFFFAOYSA-N 0 1 283.762 3.944 20 0 CHADMN Cc1cccc(Nc2cncn2Cc2ccccc2)c1 ZINC001216552576 1134917884 /nfs/dbraw/zinc/91/78/84/1134917884.db2.gz TVLNBYMSANVSSQ-UHFFFAOYSA-N 0 1 263.344 3.983 20 0 CHADMN Fc1ccc(Nc2cncn2Cc2ccccc2)cc1 ZINC001216552654 1134918235 /nfs/dbraw/zinc/91/82/35/1134918235.db2.gz WKCNRGRLUKSLMX-UHFFFAOYSA-N 0 1 267.307 3.814 20 0 CHADMN COc1c(F)cccc1Nc1cncn1Cc1ccccc1 ZINC001216551831 1134918544 /nfs/dbraw/zinc/91/85/44/1134918544.db2.gz BFTCIQVXXMWNOS-UHFFFAOYSA-N 0 1 297.333 3.823 20 0 CHADMN Clc1ccncc1Nc1cncn1Cc1ccccc1 ZINC001216550177 1134918788 /nfs/dbraw/zinc/91/87/88/1134918788.db2.gz OWOOVUDTBHAJCQ-UHFFFAOYSA-N 0 1 284.750 3.723 20 0 CHADMN Cc1ccc(N)c(Nc2cncn2Cc2ccccc2)c1C ZINC001216553637 1134920726 /nfs/dbraw/zinc/92/07/26/1134920726.db2.gz JKGJFGUFFQYYFI-UHFFFAOYSA-N 0 1 292.386 3.874 20 0 CHADMN CCn1ncc2cc(Nc3cnc4cccc(C)n34)ccc21 ZINC001216590231 1134926548 /nfs/dbraw/zinc/92/65/48/1134926548.db2.gz ZOPSQJUWKUCRDW-UHFFFAOYSA-N 0 1 291.358 3.756 20 0 CHADMN CCc1ccc(C)[nH+]c1Nc1cccc(C(=O)[O-])c1C ZINC001216659148 1134940731 /nfs/dbraw/zinc/94/07/31/1134940731.db2.gz YLCCAJACASNDBB-UHFFFAOYSA-N 0 1 270.332 3.703 20 0 CHADMN Cc1ccc(-c2noc(-c3c(O)ccc(F)c3F)n2)cc1 ZINC001216928445 1134953877 /nfs/dbraw/zinc/95/38/77/1134953877.db2.gz CPDMMYYIZWMZBQ-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Oc1c(F)ccc(-c2nc(-c3ccccc3F)no2)c1F ZINC001216986165 1134956352 /nfs/dbraw/zinc/95/63/52/1134956352.db2.gz LPEMYFNZDQQWNV-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN Cc1ccc(-c2noc(-c3n[nH]c4c3cccc4F)n2)cc1 ZINC001217323015 1134971001 /nfs/dbraw/zinc/97/10/01/1134971001.db2.gz MPDTUFJKQWSXKH-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1cccc(-c2noc(-c3ccn4cncc4c3)n2)c1C ZINC001217330727 1134972647 /nfs/dbraw/zinc/97/26/47/1134972647.db2.gz YJGGNZMOVNBLBD-UHFFFAOYSA-N 0 1 290.326 3.668 20 0 CHADMN Cc1n[nH]c2ccc(-c3nc(-c4ccc(F)cc4)no3)cc12 ZINC001217576099 1134984028 /nfs/dbraw/zinc/98/40/28/1134984028.db2.gz VCBRPILYKRFEFU-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1ccc2cc(-c3nc(-c4ccccc4F)no3)[nH]c2n1 ZINC001217617654 1134985269 /nfs/dbraw/zinc/98/52/69/1134985269.db2.gz VBWYEFWBHPPLQJ-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN CC(C)c1ccc(-c2nnc([C@@H]3NCCC[C@@H]3C)o2)cc1 ZINC001217702620 1134987184 /nfs/dbraw/zinc/98/71/84/1134987184.db2.gz MGCGQEADNUBRNH-SWLSCSKDSA-N 0 1 285.391 3.921 20 0 CHADMN C[C@@H]1CCCN[C@H]1c1nnc(-c2ccc3ccccc3c2)o1 ZINC001217702078 1134987301 /nfs/dbraw/zinc/98/73/01/1134987301.db2.gz HRQTYKVEOGWHSX-MLGOLLRUSA-N 0 1 293.370 3.950 20 0 CHADMN C[C@H]1CCCN[C@@H]1c1nnc(CCC2CCCCC2)o1 ZINC001217701407 1134987484 /nfs/dbraw/zinc/98/74/84/1134987484.db2.gz DMPBDVCHSLDUKW-WFASDCNBSA-N 0 1 277.412 3.643 20 0 CHADMN C[C@H]1CC[C@H](c2nnc(CCC3CCCCC3)o2)NC1 ZINC001217701261 1134987838 /nfs/dbraw/zinc/98/78/38/1134987838.db2.gz CNIDGGYVZMNSMI-GXTWGEPZSA-N 0 1 277.412 3.643 20 0 CHADMN CC(C)(N)c1nnc(-c2ccc(-c3ccccc3)cc2)o1 ZINC001217697106 1134988125 /nfs/dbraw/zinc/98/81/25/1134988125.db2.gz VMDJXLPOFUBBIX-UHFFFAOYSA-N 0 1 279.343 3.597 20 0 CHADMN CN[C@H](CC(C)C)c1nnc(Cc2cccc(Cl)c2)o1 ZINC001217714947 1134990278 /nfs/dbraw/zinc/99/02/78/1134990278.db2.gz PFYZSPCFGQPHOQ-CYBMUJFWSA-N 0 1 293.798 3.620 20 0 CHADMN CC[C@H](C)[C@H](NC)c1nnc(CCC2CCCCC2)o1 ZINC001217722844 1134991684 /nfs/dbraw/zinc/99/16/84/1134991684.db2.gz GZPYIXNMSBFDJZ-WFASDCNBSA-N 0 1 279.428 3.889 20 0 CHADMN CN[C@H](c1nnc(Cc2ccc(Cl)cc2)o1)C(C)(C)C ZINC001217737371 1134993602 /nfs/dbraw/zinc/99/36/02/1134993602.db2.gz WYGDLLPFHHEPCH-CYBMUJFWSA-N 0 1 293.798 3.620 20 0 CHADMN CCCCC[C@H](NC)c1nnc(Cc2cccc(F)c2)o1 ZINC001217755454 1134994115 /nfs/dbraw/zinc/99/41/15/1134994115.db2.gz CHEKOJRIWMQQEE-AWEZNQCLSA-N 0 1 291.370 3.640 20 0 CHADMN CN[C@H](c1nnc(-c2ccc3c(c2)CCC3)o1)C(C)(C)C ZINC001217737487 1134994133 /nfs/dbraw/zinc/99/41/33/1134994133.db2.gz ZVOXABLRGXLTBI-CQSZACIVSA-N 0 1 285.391 3.532 20 0 CHADMN CC(C)(C)C[C@H](CO)NCc1cc(Cl)sc1Cl ZINC000312555693 1135134512 /nfs/dbraw/zinc/13/45/12/1135134512.db2.gz HUQDWJQYMZIXDE-SECBINFHSA-N 0 1 296.263 3.942 20 0 CHADMN CCC(CC)N(C)Cc1cccc(O)c1Br ZINC000315686460 1135158408 /nfs/dbraw/zinc/15/84/08/1135158408.db2.gz QQYWNGLXRVPESA-UHFFFAOYSA-N 0 1 286.213 3.775 20 0 CHADMN C[C@H](NC[C@H]1CCC=CO1)c1nc(C(C)(C)C)cs1 ZINC000194408482 1135162688 /nfs/dbraw/zinc/16/26/88/1135162688.db2.gz GWMRCPUDGZUWSE-NWDGAFQWSA-N 0 1 280.437 3.784 20 0 CHADMN C[C@@H](NC[C@H]1CCC=CO1)c1nc(C(C)(C)C)cs1 ZINC000194408496 1135162921 /nfs/dbraw/zinc/16/29/21/1135162921.db2.gz GWMRCPUDGZUWSE-VXGBXAGGSA-N 0 1 280.437 3.784 20 0 CHADMN Cc1cc(-c2nccc(N)c2C)c(F)cc1Cl ZINC001222220248 1135208207 /nfs/dbraw/zinc/20/82/07/1135208207.db2.gz BWKCYPMSNUBXRV-UHFFFAOYSA-N 0 1 250.704 3.740 20 0 CHADMN Cc1cc2[nH]cnc2cc1-c1cn(C)nc1-c1ccccc1 ZINC001222536035 1135249074 /nfs/dbraw/zinc/24/90/74/1135249074.db2.gz GSFHJLQOKFCWTN-UHFFFAOYSA-N 0 1 288.354 3.939 20 0 CHADMN COc1ccc2cc([C@@H](C)OCc3cnc[nH]3)ccc2c1 ZINC001223001218 1135293828 /nfs/dbraw/zinc/29/38/28/1135293828.db2.gz VSVHIYVHKIKAEN-GFCCVEGCSA-N 0 1 282.343 3.849 20 0 CHADMN Cc1ccc(Cl)cc1[C@@H](C)OCc1cnc[nH]1 ZINC001223000928 1135293894 /nfs/dbraw/zinc/29/38/94/1135293894.db2.gz SMOLPKPNXSARAS-SNVBAGLBSA-N 0 1 250.729 3.649 20 0 CHADMN C[C@@H](OCc1cnc[nH]1)c1c(Cl)cccc1Cl ZINC001223008004 1135294722 /nfs/dbraw/zinc/29/47/22/1135294722.db2.gz UHZBWUGAFXHOLS-MRVPVSSYSA-N 0 1 271.147 3.994 20 0 CHADMN CC[C@H](OC1CCN(CCF)CC1)c1ccccc1 ZINC001223706352 1135373083 /nfs/dbraw/zinc/37/30/83/1135373083.db2.gz BPIYLSIEWMATRV-INIZCTEOSA-N 0 1 265.372 3.588 20 0 CHADMN C[C@H](CCOC1CCN(CCF)CC1)c1ccccc1 ZINC001224995793 1135500079 /nfs/dbraw/zinc/50/00/79/1135500079.db2.gz XDEUXQJSMSJDKA-OAHLLOKOSA-N 0 1 279.399 3.631 20 0 CHADMN Fc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001225201018 1135512153 /nfs/dbraw/zinc/51/21/53/1135512153.db2.gz ZLUAPJIFOKMBGD-MRXNPFEDSA-N 0 1 285.362 3.869 20 0 CHADMN CCN1CCC[C@H](Oc2ccc(C)cc2Cl)C1 ZINC001225344083 1135548730 /nfs/dbraw/zinc/54/87/30/1135548730.db2.gz DJPZYNGRCSOQEN-LBPRGKRZSA-N 0 1 253.773 3.512 20 0 CHADMN C[N@H+]1CCC[C@H](Oc2ccc(SC(F)(F)F)cc2)C1 ZINC001225792703 1135623344 /nfs/dbraw/zinc/62/33/44/1135623344.db2.gz QFJQOAWHVCHFOF-NSHDSACASA-N 0 1 291.338 3.772 20 0 CHADMN C[C@H](Oc1[nH]c(=O)ncc1F)c1cccc2ccccc21 ZINC001225881552 1135633401 /nfs/dbraw/zinc/63/34/01/1135633401.db2.gz JTVMEFUKAQHQKI-JTQLQIEISA-N 0 1 284.290 3.615 20 0 CHADMN Cc1ccc([C@H](C)Oc2nc(C(F)(F)F)cc(=O)[nH]2)cc1 ZINC001225976804 1135646843 /nfs/dbraw/zinc/64/68/43/1135646843.db2.gz CNMYQVPFOWLCJP-VIFPVBQESA-N 0 1 298.264 3.649 20 0 CHADMN CCCCC(=O)[C@@H](CCCC)Oc1cccc2[nH]nnc21 ZINC001225990644 1135648552 /nfs/dbraw/zinc/64/85/52/1135648552.db2.gz FRXPWECJOBTAIY-CQSZACIVSA-N 0 1 289.379 3.655 20 0 CHADMN c1cc2c3c(cccc3c1)[C@H](Oc1cccc3[nH]nnc31)C2 ZINC001225997864 1135650357 /nfs/dbraw/zinc/65/03/57/1135650357.db2.gz SVNYIJQAHMUFDJ-MRXNPFEDSA-N 0 1 287.322 3.787 20 0 CHADMN Cc1cc(=O)[nH]c(O[C@H](C)c2ccc(Cl)cc2Cl)n1 ZINC001226156914 1135668915 /nfs/dbraw/zinc/66/89/15/1135668915.db2.gz TVPSWGFESGQPGU-MRVPVSSYSA-N 0 1 299.157 3.937 20 0 CHADMN Cc1cc(=O)[nH]c(O[C@@H](C)c2ccc(Cl)c(Cl)c2)n1 ZINC001226156549 1135669299 /nfs/dbraw/zinc/66/92/99/1135669299.db2.gz OECLRPXITONGOZ-QMMMGPOBSA-N 0 1 299.157 3.937 20 0 CHADMN C[C@@H]1C[C@H](Oc2n[nH]c3ncccc23)CC(C)(C)C1 ZINC001226302409 1135682816 /nfs/dbraw/zinc/68/28/16/1135682816.db2.gz KAYZRVOVPYODNH-MNOVXSKESA-N 0 1 259.353 3.552 20 0 CHADMN CC(C)[C@@H](Oc1cc(N)nc2ccccc21)C(F)(F)F ZINC001226418223 1135694630 /nfs/dbraw/zinc/69/46/30/1135694630.db2.gz JYJCECIUOHHWPO-CYBMUJFWSA-N 0 1 284.281 3.783 20 0 CHADMN C[C@H](COc1cc(N)nc2ccccc21)Oc1ccccc1 ZINC001226421929 1135694724 /nfs/dbraw/zinc/69/47/24/1135694724.db2.gz HEXPJJPMHSIQBV-CYBMUJFWSA-N 0 1 294.354 3.663 20 0 CHADMN C[C@@H]1CCCC[C@H]1Oc1cc(N)nc2ccccc21 ZINC001226420408 1135694846 /nfs/dbraw/zinc/69/48/46/1135694846.db2.gz ZVJOCNDJXSJYMF-BXUZGUMPSA-N 0 1 256.349 3.775 20 0 CHADMN CCCCCCC(=O)c1ccc(O[C@@H]2CCN(C)C2)cc1 ZINC001226780525 1135741338 /nfs/dbraw/zinc/74/13/38/1135741338.db2.gz NSUYIWUTDJIZOX-QGZVFWFLSA-N 0 1 289.419 3.923 20 0 CHADMN C[C@H](COCc1ccccc1)Oc1ccc2nc[nH]c2c1 ZINC001226928160 1135762166 /nfs/dbraw/zinc/76/21/66/1135762166.db2.gz IBGDVRAEXNGPKP-CYBMUJFWSA-N 0 1 282.343 3.547 20 0 CHADMN c1nc2ccc(O[C@@H]3CCCN(c4ccccc4)C3)cc2[nH]1 ZINC001226928855 1135762221 /nfs/dbraw/zinc/76/22/21/1135762221.db2.gz TXZMVJDKCIZJTC-MRXNPFEDSA-N 0 1 293.370 3.611 20 0 CHADMN Cc1ccccc1OC[C@H](C)Oc1ccc2nc[nH]c2c1 ZINC001226930246 1135763017 /nfs/dbraw/zinc/76/30/17/1135763017.db2.gz QLQXPMPNLSVLAW-ZDUSSCGKSA-N 0 1 282.343 3.718 20 0 CHADMN Cc1cccc2nc(O[C@@H](C)c3ncccc3F)[nH]c21 ZINC001227267553 1135812381 /nfs/dbraw/zinc/81/23/81/1135812381.db2.gz FCJSDPQDRAAAIW-JTQLQIEISA-N 0 1 271.295 3.545 20 0 CHADMN Cc1cccc2nc(O[C@@H]3COCc4ccccc43)[nH]c21 ZINC001227267768 1135814041 /nfs/dbraw/zinc/81/40/41/1135814041.db2.gz GXSOGKLRZLFGIS-OAHLLOKOSA-N 0 1 280.327 3.522 20 0 CHADMN Cc1cccc2nc(O[C@H](C)COCc3ccccc3)[nH]c21 ZINC001227268115 1135814562 /nfs/dbraw/zinc/81/45/62/1135814562.db2.gz MKVJFHJQRSIWOE-CQSZACIVSA-N 0 1 296.370 3.855 20 0 CHADMN Cc1ccc(CN[C@H]2CCOc3c(F)cccc32)cc1 ZINC000082504135 178068509 /nfs/dbraw/zinc/06/85/09/178068509.db2.gz XDSAFNQFPRQGMV-INIZCTEOSA-N 0 1 271.335 3.748 20 0 CHADMN CCn1ccnc1CN1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000352800735 529568801 /nfs/dbraw/zinc/56/88/01/529568801.db2.gz IBZGERWLONZEKJ-NVXWUHKLSA-N 0 1 283.419 3.876 20 0 CHADMN CCc1ccc(CN2CCCC[C@H]2c2ccco2)cn1 ZINC000347782306 529639536 /nfs/dbraw/zinc/63/95/36/529639536.db2.gz PJGXMFLZLUEHCL-INIZCTEOSA-N 0 1 270.376 3.964 20 0 CHADMN CCc1ccc(CN2CCC[C@@H]2c2ccc(C)o2)cn1 ZINC000347878918 529639957 /nfs/dbraw/zinc/63/99/57/529639957.db2.gz MBAKSGNEHBONLE-MRXNPFEDSA-N 0 1 270.376 3.883 20 0 CHADMN CCc1ccc(CN(C)Cc2cc(C)c(OC)c(C)c2)cn1 ZINC000347829075 529634944 /nfs/dbraw/zinc/63/49/44/529634944.db2.gz NYUCLRUQQKRFKK-UHFFFAOYSA-N 0 1 298.430 3.901 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(OC)c(C)c2)cn1 ZINC000347856644 529636197 /nfs/dbraw/zinc/63/61/97/529636197.db2.gz SIGGSBXUNAOQRL-UHFFFAOYSA-N 0 1 284.403 3.593 20 0 CHADMN CC[C@H](N[C@H](CCOC)c1ccccc1)c1nccs1 ZINC000347911089 529668562 /nfs/dbraw/zinc/66/85/62/529668562.db2.gz KNTAHHDXTNSBIV-LSDHHAIUSA-N 0 1 290.432 3.962 20 0 CHADMN CC[C@H](N[C@H](c1nccn1C)C1CC1)c1ccccc1 ZINC000353872356 529669463 /nfs/dbraw/zinc/66/94/63/529669463.db2.gz UXZDNMBTVPPWIL-HOTGVXAUSA-N 0 1 269.392 3.612 20 0 CHADMN CC[C@H](N[C@H]1CCCc2ccc(C)cc21)c1ccn(C)n1 ZINC000352605497 529671112 /nfs/dbraw/zinc/67/11/12/529671112.db2.gz NXJQLJXDJFUADR-IRXDYDNUSA-N 0 1 283.419 3.847 20 0 CHADMN CN(CCC(F)(F)F)Cc1cccc2cc[nH]c21 ZINC000352698898 529874733 /nfs/dbraw/zinc/87/47/33/529874733.db2.gz XXNPKXVLRXYGTD-UHFFFAOYSA-N 0 1 256.271 3.552 20 0 CHADMN CN(Cc1cc2cc(F)ccc2o1)Cc1ccncc1 ZINC000350391335 529980788 /nfs/dbraw/zinc/98/07/88/529980788.db2.gz MECGLPLXZZDTBO-UHFFFAOYSA-N 0 1 270.307 3.599 20 0 CHADMN CN(Cc1cscc1C(F)(F)F)C[C@H]1CCCCO1 ZINC000356097094 530019795 /nfs/dbraw/zinc/01/97/95/530019795.db2.gz ZNJQOIXUONPUSA-LLVKDONJSA-N 0 1 293.354 3.768 20 0 CHADMN CN(Cc1sc2ccccc2c1Cl)C1(CO)CC1 ZINC000353176425 530032355 /nfs/dbraw/zinc/03/23/55/530032355.db2.gz YZGLQBGYUNSXDQ-UHFFFAOYSA-N 0 1 281.808 3.511 20 0 CHADMN CC[C@@H](F)CN[C@@H](C)c1ccccc1OC(C)C ZINC000573766209 334964579 /nfs/dbraw/zinc/96/45/79/334964579.db2.gz RZJARRVPXAVLGD-QWHCGFSZSA-N 0 1 253.361 3.873 20 0 CHADMN CCC(CC)(CC)[S@](=O)C=C(O)c1cc(C)n(C)c1C ZINC000574229782 335003119 /nfs/dbraw/zinc/00/31/19/335003119.db2.gz TYCQAZVIIUOCAB-HXUWFJFHSA-N 0 1 297.464 3.542 20 0 CHADMN c1ccc([C@H]2CN(CCC3CCCC3)CCO2)cc1 ZINC000574329567 335011052 /nfs/dbraw/zinc/01/10/52/335011052.db2.gz DAQUUFAXJABQBQ-QGZVFWFLSA-N 0 1 259.393 3.640 20 0 CHADMN CC(C)=CCC[C@@H](C)CCNCc1cc(C)on1 ZINC000574341466 335012375 /nfs/dbraw/zinc/01/23/75/335012375.db2.gz BPNMTBNTMYUMLT-CYBMUJFWSA-N 0 1 250.386 3.845 20 0 CHADMN COc1cc(Cl)ccc1CN1CCCO[C@H](C(C)C)C1 ZINC000574342706 335012712 /nfs/dbraw/zinc/01/27/12/335012712.db2.gz BGCBFCLCWVESQV-INIZCTEOSA-N 0 1 297.826 3.596 20 0 CHADMN CC[C@H]1CN(Cc2ccc(SC)s2)CCS1 ZINC000574492266 335023668 /nfs/dbraw/zinc/02/36/68/335023668.db2.gz PAOZWGDAPPCHBW-JTQLQIEISA-N 0 1 273.492 3.797 20 0 CHADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@@H](C)[C@@H](C)C2CCCCC2)n1 ZINC000574581004 335031507 /nfs/dbraw/zinc/03/15/07/335031507.db2.gz LFZXLMUMIVCUFQ-RDBSUJKOSA-N 0 1 291.439 3.746 20 0 CHADMN CSc1ccc(CN[C@H](CO)c2sccc2C)s1 ZINC000352800371 532961685 /nfs/dbraw/zinc/96/16/85/532961685.db2.gz PKNPKFWZDZXFRN-LLVKDONJSA-N 0 1 299.486 3.663 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@H](C)c1cn(C)nc1C ZINC000194883316 533058637 /nfs/dbraw/zinc/05/86/37/533058637.db2.gz SWEOZTOSVOHSEV-VXGBXAGGSA-N 0 1 289.448 3.862 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](C)c2ccccc2F)ccn1 ZINC000347555539 533119576 /nfs/dbraw/zinc/11/95/76/533119576.db2.gz KYQHCKBIVPEGCT-NEPJUHHUSA-N 0 1 274.339 3.641 20 0 CHADMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(C(=O)[O-])ccc1Cl ZINC000574884244 335055261 /nfs/dbraw/zinc/05/52/61/335055261.db2.gz OAGRAPBVLBVQHK-GXFFZTMASA-N 0 1 281.783 3.801 20 0 CHADMN Cc1ccnc(NCCc2csc(C(C)(C)C)n2)c1 ZINC000497540715 262174565 /nfs/dbraw/zinc/17/45/65/262174565.db2.gz RCDRQYWZDULNOB-UHFFFAOYSA-N 0 1 275.421 3.799 20 0 CHADMN CCC(C)(C)C(=O)CSc1nc(-c2ccccc2)n[nH]1 ZINC000575029777 335057087 /nfs/dbraw/zinc/05/70/87/335057087.db2.gz LOPNRZZDZUXTHP-UHFFFAOYSA-N 0 1 289.404 3.569 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2nccn2Cc2ccccc2)C1 ZINC000355078871 227375958 /nfs/dbraw/zinc/37/59/58/227375958.db2.gz BQKHVMJDXHGVRD-BRWVUGGUSA-N 0 1 297.446 3.798 20 0 CHADMN CC[C@H](C)C[N@@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000575065720 335061289 /nfs/dbraw/zinc/06/12/89/335061289.db2.gz WQDWKNYJBNQGPD-JTQLQIEISA-N 0 1 269.772 3.516 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2cc3cccnc3o2)n1 ZINC000580515528 335063226 /nfs/dbraw/zinc/06/32/26/335063226.db2.gz KNRHMOQTZLWNDR-KRWDZBQOSA-N 0 1 293.370 3.868 20 0 CHADMN C[C@@H](NCc1cccn1C)c1cc2cccc(F)c2o1 ZINC000353238256 533461229 /nfs/dbraw/zinc/46/12/29/533461229.db2.gz PJPUSTHXWOETIC-LLVKDONJSA-N 0 1 272.323 3.761 20 0 CHADMN C[C@@H](NCc1cncc(F)c1)c1ccc2ncsc2c1 ZINC000347202418 533468061 /nfs/dbraw/zinc/46/80/61/533468061.db2.gz FDIZTVCCGBAIAE-SNVBAGLBSA-N 0 1 287.363 3.681 20 0 CHADMN COc1cccc(CN2Cc3ccccc3C[C@@H]2C)c1OC ZINC000353666128 533485734 /nfs/dbraw/zinc/48/57/34/533485734.db2.gz NIDKOVLKSZGLFC-AWEZNQCLSA-N 0 1 297.398 3.651 20 0 CHADMN C[C@@H](N[C@@H]1CCC(C)(C)C1)c1noc(-c2ccccc2)n1 ZINC000332155697 533517933 /nfs/dbraw/zinc/51/79/33/533517933.db2.gz IAYUSXBLGVIWJG-TZMCWYRMSA-N 0 1 285.391 3.966 20 0 CHADMN C[C@@H](N[C@H](C)c1cncc(F)c1)c1ccc2n[nH]cc2c1 ZINC000353096333 533535339 /nfs/dbraw/zinc/53/53/39/533535339.db2.gz DPRYHWVQDLWMCZ-GHMZBOCLSA-N 0 1 284.338 3.509 20 0 CHADMN COc1ccc(CN(Cc2cnc(C)cn2)C(C)(C)C)cc1 ZINC000344283327 533550569 /nfs/dbraw/zinc/55/05/69/533550569.db2.gz QCFOURONDWALKZ-UHFFFAOYSA-N 0 1 299.418 3.594 20 0 CHADMN Cc1cc(CN2CC[C@@H](C(C)(C)C)C[C@H]2C)no1 ZINC000347581778 533622626 /nfs/dbraw/zinc/62/26/26/533622626.db2.gz OPWDRFSESHYENQ-DGCLKSJQSA-N 0 1 250.386 3.630 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccn(C(C)C)c1C ZINC000344848742 533671187 /nfs/dbraw/zinc/67/11/87/533671187.db2.gz NPLJLXWCJCSONM-UHFFFAOYSA-N 0 1 296.321 3.599 20 0 CHADMN Cc1cnn(CCN(C)[C@H](C)c2ccccc2Cl)c1 ZINC000341833060 130064342 /nfs/dbraw/zinc/06/43/42/130064342.db2.gz NYETYFUWTKDQHQ-CYBMUJFWSA-N 0 1 277.799 3.538 20 0 CHADMN C[C@H]1CN(CCCCCF)C[C@H](c2ccccc2)O1 ZINC000341847189 130090224 /nfs/dbraw/zinc/09/02/24/130090224.db2.gz LNSYFSMLYRSKQA-GOEBONIOSA-N 0 1 265.372 3.588 20 0 CHADMN C[C@@H]1CO[C@H](c2ccccc2)CN1CCCCCF ZINC000341886367 130111962 /nfs/dbraw/zinc/11/19/62/130111962.db2.gz WLWCSHWMOHHAJG-ZBFHGGJFSA-N 0 1 265.372 3.588 20 0 CHADMN Fc1cncc(CN2CCC=C(c3ccccc3)C2)c1 ZINC000341993936 130186012 /nfs/dbraw/zinc/18/60/12/130186012.db2.gz QDWRDOTUJHSORJ-UHFFFAOYSA-N 0 1 268.335 3.510 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cccc3ccccc32)n1 ZINC000342017061 130200645 /nfs/dbraw/zinc/20/06/45/130200645.db2.gz DNRONCQYBOQNBL-OAHLLOKOSA-N 0 1 281.359 3.936 20 0 CHADMN CC/C=C\CCN(Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000342199656 130378099 /nfs/dbraw/zinc/37/80/99/130378099.db2.gz ABOYBFCKMVQXLI-WAYWQWQTSA-N 0 1 299.418 3.902 20 0 CHADMN FC(F)[C@H]1C[C@H]1NCc1nc(-c2ccccc2)cs1 ZINC000342201744 130380367 /nfs/dbraw/zinc/38/03/67/130380367.db2.gz GETIASDCIVWXMH-WDEREUQCSA-N 0 1 280.343 3.553 20 0 CHADMN COc1ccc(CN[C@H](C)CF)cc1OCCC(C)C ZINC000342207015 130383640 /nfs/dbraw/zinc/38/36/40/130383640.db2.gz RWVMJGFYVYDUTR-CYBMUJFWSA-N 0 1 283.387 3.568 20 0 CHADMN CC(C)OCCCN(C)[C@H](C)c1cc(F)ccc1F ZINC000171499435 335067283 /nfs/dbraw/zinc/06/72/83/335067283.db2.gz VARHSSTYOVVCAH-GFCCVEGCSA-N 0 1 271.351 3.773 20 0 CHADMN C[C@@H](NCc1cccc(O)c1)c1cc2ccccc2o1 ZINC000008734352 170351985 /nfs/dbraw/zinc/35/19/85/170351985.db2.gz URISTMLSGUIIIC-GFCCVEGCSA-N 0 1 267.328 3.989 20 0 CHADMN Cc1cccc(NC(=O)CN2[C@H](C)CCC[C@H]2C)c1C ZINC000009997768 170394018 /nfs/dbraw/zinc/39/40/18/170394018.db2.gz PUZIMFPWKOKUBM-ZIAGYGMSSA-N 0 1 274.408 3.505 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@H](C)c1cccnc1 ZINC000020127766 171014025 /nfs/dbraw/zinc/01/40/25/171014025.db2.gz PYISRBLGBTZSCM-KGLIPLIRSA-N 0 1 270.376 3.892 20 0 CHADMN C[C@@H](NCc1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000020305577 171142274 /nfs/dbraw/zinc/14/22/74/171142274.db2.gz LJVNJIZZWVGABI-SNVBAGLBSA-N 0 1 265.278 3.955 20 0 CHADMN O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)cc1O ZINC000021810781 171328954 /nfs/dbraw/zinc/32/89/54/171328954.db2.gz RCNWMSFCPAPRNB-UHFFFAOYSA-N 0 1 282.126 3.951 20 0 CHADMN C[C@@H](NCc1cccc(Br)c1)c1ccco1 ZINC000035136800 172003890 /nfs/dbraw/zinc/00/38/90/172003890.db2.gz HSJZMDBNRXZNGL-SNVBAGLBSA-N 0 1 280.165 3.893 20 0 CHADMN C[C@H](NCc1cc(Br)cs1)c1ccco1 ZINC000035137013 172003905 /nfs/dbraw/zinc/00/39/05/172003905.db2.gz QKCHXZJUYRTUIF-QMMMGPOBSA-N 0 1 286.194 3.954 20 0 CHADMN COc1ccc(C)cc1CN[C@@H]1CCCc2occc21 ZINC000035250274 172080825 /nfs/dbraw/zinc/08/08/25/172080825.db2.gz UXZHEEJENHRXTO-OAHLLOKOSA-N 0 1 271.360 3.764 20 0 CHADMN CN[C@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000035465602 172213164 /nfs/dbraw/zinc/21/31/64/172213164.db2.gz UUKQDRNMCVAALL-OAHLLOKOSA-N 0 1 261.752 3.657 20 0 CHADMN Clc1ccc(CCNCc2cscn2)c(Cl)c1 ZINC000040420424 174257489 /nfs/dbraw/zinc/25/74/89/174257489.db2.gz OUWDQZLIULOATK-UHFFFAOYSA-N 0 1 287.215 3.782 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2ccc(Br)s2)C1 ZINC000043677590 175088868 /nfs/dbraw/zinc/08/88/68/175088868.db2.gz HAOZBISQYOESQI-AOOOYVTPSA-N 0 1 288.254 3.989 20 0 CHADMN C[C@@H]1CCCCN1Cc1cc(Br)cs1 ZINC000043686925 175094351 /nfs/dbraw/zinc/09/43/51/175094351.db2.gz HFBNHJYCHSMHRV-SECBINFHSA-N 0 1 274.227 3.885 20 0 CHADMN C[C@H](Cc1ccsc1)N1CC(C)(CC(F)(F)F)C1 ZINC000575147106 335072894 /nfs/dbraw/zinc/07/28/94/335072894.db2.gz QZDQJKCPKUXPFA-SNVBAGLBSA-N 0 1 277.355 3.953 20 0 CHADMN CC[C@H](O)[C@@H]1CCCCN1Cc1c(F)cccc1Cl ZINC000078724647 177376424 /nfs/dbraw/zinc/37/64/24/177376424.db2.gz DCBSTLMYLIACIN-GJZGRUSLSA-N 0 1 285.790 3.605 20 0 CHADMN c1cc2c(o1)CCCN(Cc1ccc3ccccc3n1)C2 ZINC000344283358 225015065 /nfs/dbraw/zinc/01/50/65/225015065.db2.gz QIOOGNNBNCMIGJ-UHFFFAOYSA-N 0 1 278.355 3.776 20 0 CHADMN C[C@H](N(C)Cc1nc2ccc(Cl)cc2n1C)C1(C)CC1 ZINC000355080941 227379389 /nfs/dbraw/zinc/37/93/89/227379389.db2.gz NYKRAUGKCHDQAM-NSHDSACASA-N 0 1 291.826 3.847 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cccc4cc[nH]c43)[nH]c2c1 ZINC000344486430 225074546 /nfs/dbraw/zinc/07/45/46/225074546.db2.gz RLBWWQZPJJZGTI-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000334610064 225108557 /nfs/dbraw/zinc/10/85/57/225108557.db2.gz QNRNASONTOONFF-IAQYHMDHSA-N 0 1 293.794 3.514 20 0 CHADMN CO[C@H](C)c1nc(CN[C@@H](C)CCC(C)C)cs1 ZINC000344781157 225165445 /nfs/dbraw/zinc/16/54/45/225165445.db2.gz ZYDBQIUANMDART-NWDGAFQWSA-N 0 1 270.442 3.765 20 0 CHADMN Cc1cc(C)c(CN[C@@H]2CCc3c2c(F)ccc3F)cn1 ZINC000334671772 225242650 /nfs/dbraw/zinc/24/26/50/225242650.db2.gz PDXGQMQHCVDXJU-MRXNPFEDSA-N 0 1 288.341 3.754 20 0 CHADMN Cc1cccc([C@@H]2CCCN2C(=O)c2cnc(C3CC3)[nH]2)c1 ZINC000334832678 225327261 /nfs/dbraw/zinc/32/72/61/225327261.db2.gz WQJUXUDMNVTAFG-INIZCTEOSA-N 0 1 295.386 3.573 20 0 CHADMN FC1(F)CC(c2noc([C@H]3CCCN3C3CCCC3)n2)C1 ZINC000334913179 225363709 /nfs/dbraw/zinc/36/37/09/225363709.db2.gz XAPMQQOIOVDXCD-GFCCVEGCSA-N 0 1 297.349 3.662 20 0 CHADMN Fc1ccc(CN(CC[C@@H]2CCCCO2)C2CC2)c(F)c1 ZINC000347404457 226147778 /nfs/dbraw/zinc/14/77/78/226147778.db2.gz WQYARMSYFTWXRY-INIZCTEOSA-N 0 1 295.373 3.888 20 0 CHADMN CSC1(CN(Cc2ccco2)Cc2ccco2)CC1 ZINC000347657546 226228100 /nfs/dbraw/zinc/22/81/00/226228100.db2.gz UKCAPJMWRSKJLY-UHFFFAOYSA-N 0 1 277.389 3.770 20 0 CHADMN c1cc([C@H]2CN(CC34CCC(CC3)C4)CCO2)cs1 ZINC000347752863 226377744 /nfs/dbraw/zinc/37/77/44/226377744.db2.gz SUVWAXGAMJOFMW-OGVSOVDVSA-N 0 1 277.433 3.702 20 0 CHADMN Cc1ccc(CN(C)c2ccnc(C)c2Cl)o1 ZINC000350311739 226983889 /nfs/dbraw/zinc/98/38/89/226983889.db2.gz KHTGXYXJCKDNNU-UHFFFAOYSA-N 0 1 250.729 3.581 20 0 CHADMN FC[C@@H]1CCCN1Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000354522487 227021108 /nfs/dbraw/zinc/02/11/08/227021108.db2.gz RIKJQRVQFJKXFY-AWEZNQCLSA-N 0 1 293.773 3.664 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(Cl)c1 ZINC000166608084 227033266 /nfs/dbraw/zinc/03/32/66/227033266.db2.gz DBDRSUAOPNOTEO-MZPVMMEZSA-N 0 1 287.790 3.649 20 0 CHADMN Cc1c(Cl)cccc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000352629839 227126245 /nfs/dbraw/zinc/12/62/45/227126245.db2.gz KRCOTFBGVBDYPQ-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN Cc1ccc(CN[C@@H]2c3ccc(F)cc3O[C@@H]2C)cc1 ZINC000575212030 335081759 /nfs/dbraw/zinc/08/17/59/335081759.db2.gz FMUIPUFRLOMPFB-PXAZEXFGSA-N 0 1 271.335 3.746 20 0 CHADMN Cc1ncc(CN2CCC[C@H]3CCC[C@@H]32)n1-c1ccccc1 ZINC000352728592 227191774 /nfs/dbraw/zinc/19/17/74/227191774.db2.gz ZQYHPDOLIVETNF-APWZRJJASA-N 0 1 295.430 3.945 20 0 CHADMN C[C@H]1CC[C@H](C[N@@H+](Cc2ccco2)Cc2ccccc2)O1 ZINC000354889163 227206631 /nfs/dbraw/zinc/20/66/31/227206631.db2.gz IJEUUMFLZGSTHV-MAUKXSAKSA-N 0 1 285.387 3.849 20 0 CHADMN C[C@H]1CC[C@H](CN(Cc2ccco2)Cc2ccccc2)O1 ZINC000354889163 227206636 /nfs/dbraw/zinc/20/66/36/227206636.db2.gz IJEUUMFLZGSTHV-MAUKXSAKSA-N 0 1 285.387 3.849 20 0 CHADMN C[C@H]1CSC[C@@H]1NCc1csc(-c2cccs2)n1 ZINC000352814251 227250172 /nfs/dbraw/zinc/25/01/72/227250172.db2.gz GWDVCFRGVGTHNX-ONGXEEELSA-N 0 1 296.486 3.713 20 0 CHADMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1conc1C ZINC000352820104 227256786 /nfs/dbraw/zinc/25/67/86/227256786.db2.gz YMRCVSQYHINEFV-IAQYHMDHSA-N 0 1 294.782 3.502 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](C)N[C@H](C)c1ccnn1C ZINC000192729444 227282285 /nfs/dbraw/zinc/28/22/85/227282285.db2.gz JFJHKXLSZXFHLV-CHWSQXEVSA-N 0 1 283.375 3.887 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3ccc(C(C)C)nc3)ccc12 ZINC000354990568 227291273 /nfs/dbraw/zinc/29/12/73/227291273.db2.gz SEBMLYAHJFCESK-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN CCn1cncc1CN1Cc2cc(C)ccc2CC1(C)C ZINC000418070995 228003643 /nfs/dbraw/zinc/00/36/43/228003643.db2.gz VNIDGMPZLGBBRP-UHFFFAOYSA-N 0 1 283.419 3.548 20 0 CHADMN c1ccc2oc([C@H]3CCCCN3C[C@H]3CCCO3)nc2c1 ZINC000335917332 228018078 /nfs/dbraw/zinc/01/80/78/228018078.db2.gz YICHJDWSQIPPKM-UKRRQHHQSA-N 0 1 286.375 3.534 20 0 CHADMN Cc1cc(-c2nnc(CN3C[C@H](C)CC[C@H]3C)o2)c(C)o1 ZINC000335917713 228024314 /nfs/dbraw/zinc/02/43/14/228024314.db2.gz LOCLTLSGRYXVJU-GHMZBOCLSA-N 0 1 289.379 3.567 20 0 CHADMN Cc1ccnc([C@@H](C)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000353521707 228113984 /nfs/dbraw/zinc/11/39/84/228113984.db2.gz SCTHVZLZBVIZCI-IAGOWNOFSA-N 0 1 297.446 3.561 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2C[C@@H](C)C[C@H](C)C2)s1 ZINC000353539284 228116800 /nfs/dbraw/zinc/11/68/00/228116800.db2.gz LEFVOTWKMNGJHD-IUCAKERBSA-N 0 1 292.370 3.948 20 0 CHADMN C[C@H](N[C@H]1CCC[C@@H]1C)c1nc(C2CCCCC2)no1 ZINC000330142059 228048273 /nfs/dbraw/zinc/04/82/73/228048273.db2.gz XZXMJDNNNHPRNU-OBJOEFQTSA-N 0 1 277.412 3.957 20 0 CHADMN CCc1nnc(CN[C@@H]2CC[C@@H](c3ccccc3)C2)s1 ZINC000353100608 228058969 /nfs/dbraw/zinc/05/89/69/228058969.db2.gz ZIQKBBUYRWUNGN-ZIAGYGMSSA-N 0 1 287.432 3.526 20 0 CHADMN CSCc1cnc(CN(CC2CC2)C2CCC2)s1 ZINC000353283556 228079278 /nfs/dbraw/zinc/07/92/78/228079278.db2.gz RMTKCSQBJXAILK-UHFFFAOYSA-N 0 1 282.478 3.771 20 0 CHADMN Cc1nocc1CN(C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000353316739 228084697 /nfs/dbraw/zinc/08/46/97/228084697.db2.gz RSRAMILMHOMDCL-MRXNPFEDSA-N 0 1 276.355 3.951 20 0 CHADMN CCn1cc([C@H](C)N[C@@H]2CCc3sc(Cl)cc32)cn1 ZINC000353570782 228123503 /nfs/dbraw/zinc/12/35/03/228123503.db2.gz GAGMCQXRMUTKNT-JOYOIKCWSA-N 0 1 295.839 3.956 20 0 CHADMN C[C@H](NCc1ccc2cc[nH]c2n1)c1cccc(F)c1 ZINC000353616346 228131949 /nfs/dbraw/zinc/13/19/49/228131949.db2.gz BRSQZPGDVGACEH-NSHDSACASA-N 0 1 269.323 3.553 20 0 CHADMN Cc1ccc([C@H]2CSCCN2Cc2cnccc2C)cc1 ZINC000353624116 228133719 /nfs/dbraw/zinc/13/37/19/228133719.db2.gz MQFUCEHIQITSQR-GOSISDBHSA-N 0 1 298.455 3.989 20 0 CHADMN c1cc2ccc(CN[C@H](c3cccnc3)C3CCC3)nc2[nH]1 ZINC000353639750 228136960 /nfs/dbraw/zinc/13/69/60/228136960.db2.gz FFDJSEPVOVWVGA-KRWDZBQOSA-N 0 1 292.386 3.589 20 0 CHADMN Oc1cc(CN2CC[C@H](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000356138624 228136999 /nfs/dbraw/zinc/13/69/99/228136999.db2.gz RHRMZPVBWKIRAG-LBPRGKRZSA-N 0 1 285.309 3.643 20 0 CHADMN Fc1cc(CN2CCC[C@]3(CCCOC3)C2)ccc1Cl ZINC000353748527 228149970 /nfs/dbraw/zinc/14/99/70/228149970.db2.gz QLBMBHZFZGUGNW-INIZCTEOSA-N 0 1 297.801 3.872 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(Cl)cc2)n1 ZINC000353747138 228150207 /nfs/dbraw/zinc/15/02/07/228150207.db2.gz OEFONVKGMZGYAT-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1cc(C)c(CN(C)Cc2cccc(C)n2)c(C)c1 ZINC000353753262 228151005 /nfs/dbraw/zinc/15/10/05/228151005.db2.gz NPFLCFKYEDPVGV-UHFFFAOYSA-N 0 1 268.404 3.947 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](c2nccn2C)C2CC2)s1 ZINC000353882226 228162371 /nfs/dbraw/zinc/16/23/71/228162371.db2.gz RCTXRBQWDFDBCR-FZMZJTMJSA-N 0 1 275.421 3.592 20 0 CHADMN C[C@H](NCCCCF)c1nc(C2CCCCC2)no1 ZINC000351998074 228173355 /nfs/dbraw/zinc/17/33/55/228173355.db2.gz ZXXDGXIPQWLOQT-NSHDSACASA-N 0 1 269.364 3.518 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@H](C)C3(CCCCC3)C2)o1 ZINC000336029500 228179443 /nfs/dbraw/zinc/17/94/43/228179443.db2.gz CKNXPQQMQXGBNN-QWHCGFSZSA-N 0 1 277.412 3.731 20 0 CHADMN C[C@H](F)CCN(C)Cc1ccccc1Br ZINC000352112480 228183977 /nfs/dbraw/zinc/18/39/77/228183977.db2.gz BUWDNWYQJCMFFS-JTQLQIEISA-N 0 1 274.177 3.629 20 0 CHADMN C[C@@]1(O)CCCN(Cc2ccc(C(F)(F)F)s2)CC1 ZINC000336072484 228184803 /nfs/dbraw/zinc/18/48/03/228184803.db2.gz DDMHHVKQQQIHQI-GFCCVEGCSA-N 0 1 293.354 3.504 20 0 CHADMN C[C@@H]1CCC[C@@H](c2nc(-c3ccn4cncc4c3)no2)C1 ZINC000333344509 228197705 /nfs/dbraw/zinc/19/77/05/228197705.db2.gz UIUWLTQQNJQQSV-DGCLKSJQSA-N 0 1 282.347 3.678 20 0 CHADMN FC1(F)CC[C@@H](c2noc(-c3cc4cccnc4[nH]3)n2)C1 ZINC000333633472 228207702 /nfs/dbraw/zinc/20/77/02/228207702.db2.gz BFBPDLSVFDTIFB-SECBINFHSA-N 0 1 290.273 3.516 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000330620148 228212693 /nfs/dbraw/zinc/21/26/93/228212693.db2.gz JCYJFEGIKDRSLR-SCZZXKLOSA-N 0 1 285.338 3.811 20 0 CHADMN Cc1oc(C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)cc1C(=O)[O-] ZINC000516777314 260010980 /nfs/dbraw/zinc/01/09/80/260010980.db2.gz VQQOCQCOMSXUPO-WFASDCNBSA-N 0 1 299.370 3.664 20 0 CHADMN Cc1cc(CN2CCCO[C@H](C)C2)c(OC(F)F)cc1C ZINC000179401066 260046687 /nfs/dbraw/zinc/04/66/87/260046687.db2.gz BIARNSZJFYTLBM-CYBMUJFWSA-N 0 1 299.361 3.516 20 0 CHADMN C[C@@H](CCC1CC1)NCc1ncc(Br)s1 ZINC000308829692 260063096 /nfs/dbraw/zinc/06/30/96/260063096.db2.gz FVUZNFLSMPWEBB-QMMMGPOBSA-N 0 1 289.242 3.574 20 0 CHADMN Cc1ccc(F)cc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000179884356 260078772 /nfs/dbraw/zinc/07/87/72/260078772.db2.gz KCHYTVIYVZMKKQ-GFCCVEGCSA-N 0 1 275.289 3.908 20 0 CHADMN Fc1cccc([C@@H]2CCCN2Cc2cnn3ccccc23)c1 ZINC000180155234 260094944 /nfs/dbraw/zinc/09/49/44/260094944.db2.gz RHWRZDIYYUFPKG-KRWDZBQOSA-N 0 1 295.361 3.811 20 0 CHADMN Cc1cccc(S(=O)(=O)Nc2c(C)cccc2C)c1F ZINC000180468263 260103515 /nfs/dbraw/zinc/10/35/15/260103515.db2.gz IZWGWSDSPUKAEM-UHFFFAOYSA-N 0 1 293.363 3.552 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc2c(c1)CCCC2)c1nccn1C ZINC000070444465 260157474 /nfs/dbraw/zinc/15/74/74/260157474.db2.gz WKFUNPATUUCOFH-ZIAGYGMSSA-N 0 1 283.419 3.711 20 0 CHADMN CC(C)C[C@@H](N[C@@H](C)c1cnccn1)c1ccccc1 ZINC000070544230 260157695 /nfs/dbraw/zinc/15/76/95/260157695.db2.gz DRPRFZPVIRAJCE-GOEBONIOSA-N 0 1 269.392 3.915 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc3[nH]ccc32)o1 ZINC000070938657 260158469 /nfs/dbraw/zinc/15/84/69/260158469.db2.gz OYVXGSUIKPNDDJ-GFCCVEGCSA-N 0 1 254.333 3.920 20 0 CHADMN Clc1cc(CNC[C@H]2CCCCO2)c(Cl)s1 ZINC000312591984 260165890 /nfs/dbraw/zinc/16/58/90/260165890.db2.gz ZAGLBJWWPJGAEM-SECBINFHSA-N 0 1 280.220 3.714 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1sc(C)nc1C ZINC000076865441 260166604 /nfs/dbraw/zinc/16/66/04/260166604.db2.gz GJMMSVGTOROIPB-LLVKDONJSA-N 0 1 290.432 3.928 20 0 CHADMN COCc1ccc(CN[C@H](C)c2ccccc2F)cc1 ZINC000078514495 260167557 /nfs/dbraw/zinc/16/75/57/260167557.db2.gz ZPUKOOSBWCKCFF-CYBMUJFWSA-N 0 1 273.351 3.823 20 0 CHADMN Cc1csc(CN[C@H](c2ccccc2)C2CC2)n1 ZINC000041075800 260182263 /nfs/dbraw/zinc/18/22/63/260182263.db2.gz NDGRKRLRZNADKM-OAHLLOKOSA-N 0 1 258.390 3.692 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809227 260209980 /nfs/dbraw/zinc/20/99/80/260209980.db2.gz XOOLUAZJQRBKPQ-NWDGAFQWSA-N 0 1 297.345 3.603 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1cccc(Cl)c1 ZINC000087406900 260213844 /nfs/dbraw/zinc/21/38/44/260213844.db2.gz ORFQPXFFJRYXCL-WDEREUQCSA-N 0 1 277.799 3.794 20 0 CHADMN CN(CCC(F)(F)F)Cc1ccc(Cl)cc1 ZINC000057595723 260225349 /nfs/dbraw/zinc/22/53/49/260225349.db2.gz ZYNVKZUGXSDHKB-UHFFFAOYSA-N 0 1 251.679 3.724 20 0 CHADMN Cc1cc([C@@H](C)NCc2cncn2C(C)C)c(C)o1 ZINC000090208913 260239007 /nfs/dbraw/zinc/23/90/07/260239007.db2.gz CWDKUPYWKTWNNI-GFCCVEGCSA-N 0 1 261.369 3.525 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cncn1C(C)C ZINC000090207934 260239456 /nfs/dbraw/zinc/23/94/56/260239456.db2.gz ZLGDJGSMGAVOBD-AWEZNQCLSA-N 0 1 287.407 3.632 20 0 CHADMN C[N@@H+](CCc1ccccc1C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000317505735 260241094 /nfs/dbraw/zinc/24/10/94/260241094.db2.gz PBZZGBPERQZYJX-GOSISDBHSA-N 0 1 295.382 3.547 20 0 CHADMN CC1(C)COC[C@@H]1NCc1c(Cl)cccc1Cl ZINC000313060436 260242922 /nfs/dbraw/zinc/24/29/22/260242922.db2.gz GQYQUJCFWMFIRY-LBPRGKRZSA-N 0 1 274.191 3.508 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2cnccn2)c(C)s1 ZINC000070478898 260267442 /nfs/dbraw/zinc/26/74/42/260267442.db2.gz UJSXSPMVQVWAFJ-MNOVXSKESA-N 0 1 261.394 3.567 20 0 CHADMN Fc1ccc(F)c(CNCc2cccc3cc[nH]c32)c1 ZINC000222108375 260276055 /nfs/dbraw/zinc/27/60/55/260276055.db2.gz XQAMYUMVNIQGAN-UHFFFAOYSA-N 0 1 272.298 3.736 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@@H]2CCc3c2cccc3O)s1 ZINC000040518161 260290457 /nfs/dbraw/zinc/29/04/57/260290457.db2.gz PKJXBNJBIASEIL-IINYFYTJSA-N 0 1 288.416 3.804 20 0 CHADMN c1cn(Cc2ccccc2)c(CN2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000075768525 260292214 /nfs/dbraw/zinc/29/22/14/260292214.db2.gz FBILCEDPNFLQGD-ROUUACIJSA-N 0 1 295.430 3.696 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C(C)C)N2CCCCC2)c(F)c1 ZINC000517800118 260307753 /nfs/dbraw/zinc/30/77/53/260307753.db2.gz HZDRGGPVIRZJBX-MRXNPFEDSA-N 0 1 292.398 3.583 20 0 CHADMN CC[C@H](COC)N[C@H](C)c1c(F)cccc1Cl ZINC000090180407 260336724 /nfs/dbraw/zinc/33/67/24/260336724.db2.gz RXXOSGWBRVZVFH-NXEZZACHSA-N 0 1 259.752 3.555 20 0 CHADMN COc1ccnc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000518059694 260339985 /nfs/dbraw/zinc/33/99/85/260339985.db2.gz ZQTOOGFZYHBURZ-QGZVFWFLSA-N 0 1 296.414 3.545 20 0 CHADMN Cc1noc([C@H](C)N[C@H]2CC[C@H](CCC(C)C)C2)n1 ZINC000449280592 260348497 /nfs/dbraw/zinc/34/84/97/260348497.db2.gz XZOOETBPLYPAMV-UBHSHLNASA-N 0 1 265.401 3.634 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2NCc1ccc(Cl)o1 ZINC000518277697 260367388 /nfs/dbraw/zinc/36/73/88/260367388.db2.gz OEUOPUQSMJIRMB-ZDUSSCGKSA-N 0 1 265.715 3.849 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@@H](C)c1cncs1 ZINC000128618481 260376355 /nfs/dbraw/zinc/37/63/55/260376355.db2.gz OFEMEOYYNUDFJS-RYUDHWBXSA-N 0 1 276.405 3.872 20 0 CHADMN CC[C@@H](NCc1ccoc1)c1ccc(OC)c(OC)c1 ZINC000129305615 260385208 /nfs/dbraw/zinc/38/52/08/260385208.db2.gz MNFDGNRNULXWIR-CQSZACIVSA-N 0 1 275.348 3.538 20 0 CHADMN COC[C@H](N[C@@H](C)c1ccsc1)c1ccccc1 ZINC000089668870 260448830 /nfs/dbraw/zinc/44/88/30/260448830.db2.gz CFAYOTJVTCTVGJ-WFASDCNBSA-N 0 1 261.390 3.786 20 0 CHADMN CC[C@H](NCc1c(C)nn(C)c1Cl)c1ccccc1 ZINC000133516273 260521204 /nfs/dbraw/zinc/52/12/04/260521204.db2.gz FOICOJNSNLXLCI-AWEZNQCLSA-N 0 1 277.799 3.623 20 0 CHADMN Cc1cc2c(cc1C)[C@@H](NCc1cccnc1)CCCO2 ZINC000151091897 260591579 /nfs/dbraw/zinc/59/15/79/260591579.db2.gz HKTBMSBGPFDIQS-KRWDZBQOSA-N 0 1 282.387 3.702 20 0 CHADMN Fc1ccc(CNCc2ccc3ccccc3n2)cc1F ZINC000049577842 260664935 /nfs/dbraw/zinc/66/49/35/260664935.db2.gz JXKYGIORKDLONK-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](C)c2ccc(F)c(C)c2)cn1 ZINC000427830070 260851251 /nfs/dbraw/zinc/85/12/51/260851251.db2.gz UGHYKRURJRFTAD-OLZOCXBDSA-N 0 1 273.355 3.644 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cncs2)cc1 ZINC000136304490 260926100 /nfs/dbraw/zinc/92/61/00/260926100.db2.gz ZKGRQCLYNMHAJX-UHFFFAOYSA-N 0 1 260.406 3.730 20 0 CHADMN CC[C@@H](NCc1cccc(C)n1)c1ccc(OC)cc1 ZINC000051573824 260951524 /nfs/dbraw/zinc/95/15/24/260951524.db2.gz XMPTVXJIOVADKW-QGZVFWFLSA-N 0 1 270.376 3.640 20 0 CHADMN CCN(Cc1nc(C(C)(C)C)no1)[C@H]1CCCC[C@H]1C ZINC000444656908 261058919 /nfs/dbraw/zinc/05/89/19/261058919.db2.gz ARKOBLVUFBIECM-OLZOCXBDSA-N 0 1 279.428 3.768 20 0 CHADMN CCCCc1noc(CN(C)[C@H]2CCCC[C@H]2CC)n1 ZINC000444673122 261062153 /nfs/dbraw/zinc/06/21/53/261062153.db2.gz HYEHGGIKEUKELV-KGLIPLIRSA-N 0 1 279.428 3.813 20 0 CHADMN CCCCN(C)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000151886813 261056644 /nfs/dbraw/zinc/05/66/44/261056644.db2.gz KLPORNCIZDSRPK-GFCCVEGCSA-N 0 1 289.379 3.538 20 0 CHADMN C[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccccn1 ZINC000152373931 261063477 /nfs/dbraw/zinc/06/34/77/261063477.db2.gz IRZLRWBMHMEDGU-BZNIZROVSA-N 0 1 256.324 3.559 20 0 CHADMN CC(C)(C)n1cc(CNC2(c3cccc(F)c3)CC2)cn1 ZINC000152857561 261070779 /nfs/dbraw/zinc/07/07/79/261070779.db2.gz ZSDUXLZVIKZGPI-UHFFFAOYSA-N 0 1 287.382 3.556 20 0 CHADMN COc1ccccc1CNC1(c2cccc(F)c2)CC1 ZINC000152856383 261070823 /nfs/dbraw/zinc/07/08/23/261070823.db2.gz OJERNYGHWSUEBV-UHFFFAOYSA-N 0 1 271.335 3.613 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCN1Cc1cc(Cl)ccc1Cl ZINC000153159896 261074085 /nfs/dbraw/zinc/07/40/85/261074085.db2.gz VTLCLKQNEFRNIZ-MFKMUULPSA-N 0 1 288.218 3.729 20 0 CHADMN CCOc1ccc(-c2nc(CN3CCC[C@H]3C)co2)cc1 ZINC000154167668 261088643 /nfs/dbraw/zinc/08/86/43/261088643.db2.gz UQTXKXHUFZAPHM-CYBMUJFWSA-N 0 1 286.375 3.725 20 0 CHADMN CC(C)N(Cc1ccc(CO)o1)Cc1cccc(Cl)c1 ZINC000154470409 261092149 /nfs/dbraw/zinc/09/21/49/261092149.db2.gz OERIGUJQORLJNL-UHFFFAOYSA-N 0 1 293.794 3.836 20 0 CHADMN C[C@@H]1CCCN1Cc1coc(-c2c(F)cccc2F)n1 ZINC000154727741 261094714 /nfs/dbraw/zinc/09/47/14/261094714.db2.gz UBRQPZZEFYDFJR-SNVBAGLBSA-N 0 1 278.302 3.604 20 0 CHADMN FC(F)(F)CCCCN1CCN(c2cccs2)CC1 ZINC000155509534 261103004 /nfs/dbraw/zinc/10/30/04/261103004.db2.gz RQWLOFKUPIMOBD-UHFFFAOYSA-N 0 1 292.370 3.603 20 0 CHADMN CC(C)N(Cc1nnc(-c2ccccc2)s1)C(C)C ZINC000155767824 261107235 /nfs/dbraw/zinc/10/72/35/261107235.db2.gz KCJRMXCXGKUQFL-UHFFFAOYSA-N 0 1 275.421 3.824 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCCN1Cc1ccsc1Cl ZINC000448364788 261128581 /nfs/dbraw/zinc/12/85/81/261128581.db2.gz GTTQXAQOOMKDRI-PWSUYJOCSA-N 0 1 273.829 3.527 20 0 CHADMN CCCCc1noc([C@H](C)N[C@@H](C)C2CCCC2)n1 ZINC000172170787 261152320 /nfs/dbraw/zinc/15/23/20/261152320.db2.gz LWMCBHGNKHQBSE-RYUDHWBXSA-N 0 1 265.401 3.642 20 0 CHADMN CCOCCO[C@H]1CCN([C@H](C)c2cccc(Cl)c2)C1 ZINC000157886856 261154591 /nfs/dbraw/zinc/15/45/91/261154591.db2.gz CWXXORCPSPQPLR-CJNGLKHVSA-N 0 1 297.826 3.528 20 0 CHADMN Cc1ccc(C)c(OCCNC(C)(C)c2nccs2)c1 ZINC000173418875 261162477 /nfs/dbraw/zinc/16/24/77/261162477.db2.gz KFNUHGBXEIUOJU-UHFFFAOYSA-N 0 1 290.432 3.664 20 0 CHADMN CSc1ccccc1CN[C@@H](C)c1cncc(F)c1 ZINC000361132365 261164523 /nfs/dbraw/zinc/16/45/23/261164523.db2.gz PGMYQBIRAAGNHK-NSHDSACASA-N 0 1 276.380 3.793 20 0 CHADMN CCc1ccc([C@H](C)NCc2cccc(OC)c2)o1 ZINC000158665947 261168938 /nfs/dbraw/zinc/16/89/38/261168938.db2.gz LUSVWJXKSAVJHH-LBPRGKRZSA-N 0 1 259.349 3.701 20 0 CHADMN Cc1ncc(CNCc2cc(F)cc(Cl)c2)s1 ZINC000160912595 261231296 /nfs/dbraw/zinc/23/12/96/261231296.db2.gz FAKOBQDWDPGELI-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN COc1ccc(F)cc1CN[C@@H](C)c1ccccc1 ZINC000175556245 261232761 /nfs/dbraw/zinc/23/27/61/261232761.db2.gz LGPMVMSQLQTXBC-LBPRGKRZSA-N 0 1 259.324 3.685 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N(CC1CC1)c1ccccc1 ZINC000176205017 261270418 /nfs/dbraw/zinc/27/04/18/261270418.db2.gz HNWDAICYRHWZOF-UHFFFAOYSA-N 0 1 291.354 3.620 20 0 CHADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)NC1CCCC1 ZINC000162208031 261273167 /nfs/dbraw/zinc/27/31/67/261273167.db2.gz KUSQFVCUASZLNK-UHFFFAOYSA-N 0 1 294.305 3.565 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2n[nH]cc21)c1ccc(F)cc1F ZINC000367602997 261301684 /nfs/dbraw/zinc/30/16/84/261301684.db2.gz XNLPLGPDGQGHTD-HUUCEWRRSA-N 0 1 291.345 3.806 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1nnc(C(C)C)o1)C1CC1 ZINC000104967325 261304254 /nfs/dbraw/zinc/30/42/54/261304254.db2.gz DHIDBVJKJQVNED-NEPJUHHUSA-N 0 1 265.401 3.592 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN(C)[C@H](C)C1(C)CC1 ZINC000177249365 261342859 /nfs/dbraw/zinc/34/28/59/261342859.db2.gz ZNNFVFZDAIYTAT-GFCCVEGCSA-N 0 1 289.398 3.816 20 0 CHADMN c1sc(Cc2ccccc2)nc1CN1CC[C@@H](C2CC2)C1 ZINC000491131850 261344353 /nfs/dbraw/zinc/34/43/53/261344353.db2.gz NOAHKDFTCJZHMS-MRXNPFEDSA-N 0 1 298.455 3.966 20 0 CHADMN FC(F)(F)CCCCOc1ccccc1-c1nnc[nH]1 ZINC000165400599 261370329 /nfs/dbraw/zinc/37/03/29/261370329.db2.gz MPYOQMDVWSPFCM-UHFFFAOYSA-N 0 1 285.269 3.583 20 0 CHADMN CC[C@H](NCc1n[nH]cc1C)c1cccc(Cl)c1 ZINC000290002738 522667744 /nfs/dbraw/zinc/66/77/44/522667744.db2.gz TXQRQXBBMADJDO-ZDUSSCGKSA-N 0 1 263.772 3.612 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)N[C@H](C)c2cncc(C)c2)c1 ZINC000184266069 262014276 /nfs/dbraw/zinc/01/42/76/262014276.db2.gz LSOUWXIEVPKSHN-UONOGXRCSA-N 0 1 297.402 3.760 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)N[C@@H](C)c1cncc(C)c1 ZINC000184285105 262014921 /nfs/dbraw/zinc/01/49/21/262014921.db2.gz QNNCWEHSUWOHCJ-QWHCGFSZSA-N 0 1 288.366 3.950 20 0 CHADMN Cc1cncc([C@@H](C)N[C@@H]2CCCOc3ccccc32)c1 ZINC000184333904 262016677 /nfs/dbraw/zinc/01/66/77/262016677.db2.gz GKEDCGOLWXSZDU-RHSMWYFYSA-N 0 1 282.387 3.955 20 0 CHADMN CC(C)(C)c1ccc(O)c(NC(=O)c2cn[nH]c2C2CC2)c1 ZINC000184514434 262021868 /nfs/dbraw/zinc/02/18/68/262021868.db2.gz RZVXWVBTNAODPR-UHFFFAOYSA-N 0 1 299.374 3.543 20 0 CHADMN CC(C)(C)n1cc(CNCc2ccc(C(F)F)cc2)cn1 ZINC000185182026 262045332 /nfs/dbraw/zinc/04/53/32/262045332.db2.gz NEPSORFYJNWATC-UHFFFAOYSA-N 0 1 293.361 3.866 20 0 CHADMN CCCOc1ccc(CN[C@@H](CCC)c2cccnc2)cn1 ZINC000185397679 262052772 /nfs/dbraw/zinc/05/27/72/262052772.db2.gz WBDGNIWUOZPHCH-KRWDZBQOSA-N 0 1 299.418 3.896 20 0 CHADMN Cc1cccnc1[C@H](NCc1cc(O)cc(F)c1)C(C)C ZINC000185537906 262059312 /nfs/dbraw/zinc/05/93/12/262059312.db2.gz FNOUJADIWMBZQX-MRXNPFEDSA-N 0 1 288.366 3.722 20 0 CHADMN Cc1cccc([C@H](C)N2CCC(C(=O)C(F)(F)F)CC2)c1 ZINC000186027894 262076598 /nfs/dbraw/zinc/07/65/98/262076598.db2.gz BFZPVRCQNVEUPV-LBPRGKRZSA-N 0 1 299.336 3.899 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1ccc(F)cc1 ZINC000186073140 262078052 /nfs/dbraw/zinc/07/80/52/262078052.db2.gz KRBAOLVBCRMTBI-SNVBAGLBSA-N 0 1 265.353 3.747 20 0 CHADMN C[C@H]1CC[C@@H](N[C@@H](CCO)c2ccco2)c2ccccc21 ZINC000186514623 262096401 /nfs/dbraw/zinc/09/64/01/262096401.db2.gz YEELRKHEWDXWLE-XKQJLSEDSA-N 0 1 285.387 3.931 20 0 CHADMN CC[C@@H](N[C@@H](CCO)c1ccco1)c1ccc(F)cc1 ZINC000186547262 262097959 /nfs/dbraw/zinc/09/79/59/262097959.db2.gz UHLCTZMNNFVDHM-CABCVRRESA-N 0 1 277.339 3.583 20 0 CHADMN CSc1ccc([C@@H](C)N[C@H](CCO)c2ccco2)cc1 ZINC000186554862 262098911 /nfs/dbraw/zinc/09/89/11/262098911.db2.gz GYDSRQNGFIBALS-IUODEOHRSA-N 0 1 291.416 3.776 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccco1)c1ccc2c(c1)CCCC2 ZINC000186557140 262099152 /nfs/dbraw/zinc/09/91/52/262099152.db2.gz OVXBGPZZWQMBTN-KDOFPFPSSA-N 0 1 299.414 3.933 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccc(C(C)(C)O)cc2)o1 ZINC000186603813 262101371 /nfs/dbraw/zinc/10/13/71/262101371.db2.gz XCOKZPWKZXVYEK-ZDUSSCGKSA-N 0 1 287.403 3.920 20 0 CHADMN Cc1cccc(NC(=O)[C@H](C)N2CCCC3(CC3)C2)c1C ZINC000186967588 262119199 /nfs/dbraw/zinc/11/91/99/262119199.db2.gz BQNQMBOBJNRUPG-HNNXBMFYSA-N 0 1 286.419 3.506 20 0 CHADMN c1nc(CN2CCCC3(CC3)C2)oc1-c1ccccc1 ZINC000186987865 262120053 /nfs/dbraw/zinc/12/00/53/262120053.db2.gz SGGNIHSZNSONID-UHFFFAOYSA-N 0 1 268.360 3.718 20 0 CHADMN Cc1cccc(NC(=O)[C@H](C)N2CCCC(C)(C)C2)c1C ZINC000497372159 262148718 /nfs/dbraw/zinc/14/87/18/262148718.db2.gz RPZCZHZMSGZAKW-HNNXBMFYSA-N 0 1 288.435 3.752 20 0 CHADMN Cc1ccccc1[C@@H](C)N(C)C(=O)c1[nH]nc2ccccc21 ZINC000497384471 262151572 /nfs/dbraw/zinc/15/15/72/262151572.db2.gz KIVQXMUKVLBYAG-CYBMUJFWSA-N 0 1 293.370 3.705 20 0 CHADMN C[C@@H](CNC1c2ccccc2-c2ccccc21)[N@H+](C)C1CC1 ZINC000319019377 262153292 /nfs/dbraw/zinc/15/32/92/262153292.db2.gz VYEGAXVOQVWAHM-AWEZNQCLSA-N 0 1 292.426 3.829 20 0 CHADMN CCOC(=O)C1CCN([C@H](C)c2cccc(Cl)c2)CC1 ZINC000497602605 262179586 /nfs/dbraw/zinc/17/95/86/262179586.db2.gz JGLADDDVHACASA-GFCCVEGCSA-N 0 1 295.810 3.676 20 0 CHADMN C[C@@H](c1ccccc1F)N1CCc2ccccc2C1 ZINC000501391505 262184131 /nfs/dbraw/zinc/18/41/31/262184131.db2.gz UTKLXPXPXVXPFA-ZDUSSCGKSA-N 0 1 255.336 3.945 20 0 CHADMN CC[C@H](CC(F)(F)F)NCc1ccc(Cl)o1 ZINC000390434525 262192545 /nfs/dbraw/zinc/19/25/45/262192545.db2.gz RITHNOPZDFSAED-SSDOTTSWSA-N 0 1 255.667 3.754 20 0 CHADMN C[C@@H](SCc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000193572975 262223969 /nfs/dbraw/zinc/22/39/69/262223969.db2.gz SBFCEHPZGJPBKO-SNVBAGLBSA-N 0 1 259.378 3.677 20 0 CHADMN CC[C@H]1CN(Cc2cccc(Cl)c2)CCS1 ZINC000525781007 262225569 /nfs/dbraw/zinc/22/55/69/262225569.db2.gz FVBCPXAVFIIPFA-ZDUSSCGKSA-N 0 1 255.814 3.667 20 0 CHADMN C[C@@H]1C[N@@H+](CC2CCCC2)[C@@H](c2ccccc2)CO1 ZINC000525781619 262227278 /nfs/dbraw/zinc/22/72/78/262227278.db2.gz LANIPIPQRSQONJ-RHSMWYFYSA-N 0 1 259.393 3.639 20 0 CHADMN CC(C)(C)c1cnc(CN2CCC[C@H]2C(C)(C)C)o1 ZINC000525783933 262233355 /nfs/dbraw/zinc/23/33/55/262233355.db2.gz WHAHFJJVNHRKDT-LBPRGKRZSA-N 0 1 264.413 3.983 20 0 CHADMN CCc1nc([C@H](C)N[C@@H]2CS[C@H](C(C)C)C2)cs1 ZINC000488449588 262324336 /nfs/dbraw/zinc/32/43/36/262324336.db2.gz OMARLFLOTSCISC-GVXVVHGQSA-N 0 1 284.494 3.886 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)n[nH]2)c(C)c1 ZINC000188877283 262325743 /nfs/dbraw/zinc/32/57/43/262325743.db2.gz RPVQTSPVXHQGNQ-CQSZACIVSA-N 0 1 297.402 3.708 20 0 CHADMN Cc1oc2ccccc2c1CN[C@H](C)c1ccccn1 ZINC000121236974 262336106 /nfs/dbraw/zinc/33/61/06/262336106.db2.gz RLKHAJLKYUWPJD-GFCCVEGCSA-N 0 1 266.344 3.987 20 0 CHADMN Cc1nc(C)c(CN2CC[C@H]2c2ccccc2)s1 ZINC000336734833 262386026 /nfs/dbraw/zinc/38/60/26/262386026.db2.gz WHTVKEXMYPHBPF-AWEZNQCLSA-N 0 1 258.390 3.707 20 0 CHADMN Cc1ccc2cccc(NC(=O)c3c(O)cccc3F)c2n1 ZINC000320070140 262386625 /nfs/dbraw/zinc/38/66/25/262386625.db2.gz VCUTXUDRMJIWPV-UHFFFAOYSA-N 0 1 296.301 3.640 20 0 CHADMN Cc1cc(CNCc2cc(F)cc(C(F)(F)F)c2)ccn1 ZINC000391195044 262387187 /nfs/dbraw/zinc/38/71/87/262387187.db2.gz RSABDVBTDSYYMH-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Cc1cc(CNCc2csc(Br)c2)ccn1 ZINC000391220567 262390993 /nfs/dbraw/zinc/39/09/93/262390993.db2.gz YQHCIIAPEWPWAU-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@@H](C)c1ccsc1)CCO2 ZINC000061361639 262396462 /nfs/dbraw/zinc/39/64/62/262396462.db2.gz TVFTZLRDWBRCLV-XHDPSFHLSA-N 0 1 289.400 3.931 20 0 CHADMN Cc1csc(CN(C)[C@@H](C)Cc2ccccc2C)n1 ZINC000445265628 262769478 /nfs/dbraw/zinc/76/94/78/262769478.db2.gz VNXAMBSKQUFRCU-AWEZNQCLSA-N 0 1 274.433 3.823 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(Cl)cn2)c(C)c1 ZINC000414092018 262803377 /nfs/dbraw/zinc/80/33/77/262803377.db2.gz DRYWJWLSPLLVCN-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CCC[C@@H](N[C@H](C)c1nc(C2CC2)no1)C(C)(C)C ZINC000414184218 262815258 /nfs/dbraw/zinc/81/52/58/262815258.db2.gz NRQFRUXKXOPCQY-ZYHUDNBSSA-N 0 1 265.401 3.812 20 0 CHADMN COC1([C@@H](C)N[C@@H](C)c2csc(C(C)C)n2)CCC1 ZINC000414292208 262837316 /nfs/dbraw/zinc/83/73/16/262837316.db2.gz AKNVTEQYFRGVMR-NWDGAFQWSA-N 0 1 282.453 3.875 20 0 CHADMN C[C@@H](NCc1nnc(C2CC2)s1)[C@@H]1C[C@H]1c1ccccc1 ZINC000414336333 262845715 /nfs/dbraw/zinc/84/57/15/262845715.db2.gz YYURHRTUXOGJQD-UGFHNGPFSA-N 0 1 299.443 3.697 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2C[C@H](O)C[C@H]2c2ccccc2)o1 ZINC000414479336 262956378 /nfs/dbraw/zinc/95/63/78/262956378.db2.gz ADUDJPGEGNMFBA-WCZJQEMASA-N 0 1 297.398 3.711 20 0 CHADMN C[C@H]1C[C@@H](NCc2csc(-c3ccsc3)n2)CS1 ZINC000414505065 262968342 /nfs/dbraw/zinc/96/83/42/262968342.db2.gz UGHCXCHQDOPKAN-GXSJLCMTSA-N 0 1 296.486 3.855 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2ccc(Cl)c(F)c2)n1 ZINC000414610841 263009126 /nfs/dbraw/zinc/00/91/26/263009126.db2.gz BLQPLYXADKOTEL-LLVKDONJSA-N 0 1 283.734 3.575 20 0 CHADMN CC(C)C[C@H](N)c1noc(C2C[C@H](C)C[C@@H](C)C2)n1 ZINC000414613270 263009530 /nfs/dbraw/zinc/00/95/30/263009530.db2.gz FWTFBUQQCBNDQI-WZRBSPASSA-N 0 1 265.401 3.655 20 0 CHADMN CC(C)C[C@H](N)c1noc(CC/C=C/c2ccccc2)n1 ZINC000414613716 263009654 /nfs/dbraw/zinc/00/96/54/263009654.db2.gz GCBIXXJPJKTVME-WGPYJDKQSA-N 0 1 285.391 3.762 20 0 CHADMN Cc1cccc(Cc2nc([C@H](N)CC(C)C)no2)c1Cl ZINC000414620045 263013245 /nfs/dbraw/zinc/01/32/45/263013245.db2.gz PCJCEGUHLALGPT-GFCCVEGCSA-N 0 1 293.798 3.668 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H](C)CC(C)(C)C)n1 ZINC000414620986 263013318 /nfs/dbraw/zinc/01/33/18/263013318.db2.gz QMYIMJRBZDUZJP-WDEREUQCSA-N 0 1 253.390 3.655 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C2CC(C(C)(C)C)C2)n1 ZINC000414628545 263016724 /nfs/dbraw/zinc/01/67/24/263016724.db2.gz SKGBWPXJLKZLLR-HTAVTVPLSA-N 0 1 265.401 3.655 20 0 CHADMN NC1(c2noc(/C(F)=C/C3CCCCC3)n2)CCCC1 ZINC000414631436 263017490 /nfs/dbraw/zinc/01/74/90/263017490.db2.gz XGYJUJBKFVCFJY-BENRWUELSA-N 0 1 279.359 3.688 20 0 CHADMN CC[C@H](C)[N@H+](CC(=O)[O-])Cc1c(Cl)oc2ccccc21 ZINC000414670919 263029157 /nfs/dbraw/zinc/02/91/57/263029157.db2.gz ADRBKTBTYFHEDL-JTQLQIEISA-N 0 1 295.766 3.771 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1c(Cl)oc2ccccc21 ZINC000414670919 263029158 /nfs/dbraw/zinc/02/91/58/263029158.db2.gz ADRBKTBTYFHEDL-JTQLQIEISA-N 0 1 295.766 3.771 20 0 CHADMN Clc1ccc(/C=C\CN2CCO[C@H]3CCC[C@H]32)cc1 ZINC000430293056 263035126 /nfs/dbraw/zinc/03/51/26/263035126.db2.gz YOONPDMADDQGBG-JIYQYTEPSA-N 0 1 277.795 3.607 20 0 CHADMN C[C@@H](CN[C@@H](C)c1cscn1)Oc1ccc(Cl)cc1 ZINC000276999126 263039061 /nfs/dbraw/zinc/03/90/61/263039061.db2.gz AECGGVGTESJYMN-QWRGUYRKSA-N 0 1 296.823 3.915 20 0 CHADMN Clc1ccc(CN[C@@H](c2cccnc2)C2CCC2)nc1 ZINC000280952884 263065473 /nfs/dbraw/zinc/06/54/73/263065473.db2.gz UGJHREBKVFAKLZ-MRXNPFEDSA-N 0 1 287.794 3.761 20 0 CHADMN C[C@@H](C1CCCCC1)N(C)C(=O)c1cccc2[nH]cnc21 ZINC000282473687 263076978 /nfs/dbraw/zinc/07/69/78/263076978.db2.gz KWEFHRNCGIOOGD-LBPRGKRZSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1nnc([C@H](C)N2C[C@H](c3ccccc3)C[C@@H]2C)s1 ZINC000283048482 263080727 /nfs/dbraw/zinc/08/07/27/263080727.db2.gz IUNUCULVVGIQIO-SLEUVZQESA-N 0 1 287.432 3.786 20 0 CHADMN C[C@H](c1nc2ccccc2s1)N(C)C[C@H](O)C(C)(C)C ZINC000283843394 263084470 /nfs/dbraw/zinc/08/44/70/263084470.db2.gz HJNQEBXFNPVPRN-RISCZKNCSA-N 0 1 292.448 3.696 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)COc2c(C)cccc2C)no1 ZINC000289562678 263110839 /nfs/dbraw/zinc/11/08/39/263110839.db2.gz CWAMYASKCFQLPY-DZGCQCFKSA-N 0 1 288.391 3.718 20 0 CHADMN Cc1cc([C@H](C)NC[C@]2(C)C[C@@H]2c2ccccc2)no1 ZINC000340439322 263148434 /nfs/dbraw/zinc/14/84/34/263148434.db2.gz KLMHYRDODJELIQ-LXZKKBNFSA-N 0 1 270.376 3.827 20 0 CHADMN CCc1cccc(F)c1CNCc1cc(C)cc(N)c1 ZINC000414966718 263169758 /nfs/dbraw/zinc/16/97/58/263169758.db2.gz PGDPNSHHMLWVHM-UHFFFAOYSA-N 0 1 272.367 3.569 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@@H](C)n3ccnc31)CCC2 ZINC000297330633 263203398 /nfs/dbraw/zinc/20/33/98/263203398.db2.gz NXROGHIZZNZZJM-KBRIMQKVSA-N 0 1 281.403 3.865 20 0 CHADMN CC[C@@H](NC1CCc2ccccc2CC1)C(F)F ZINC000453245606 263207570 /nfs/dbraw/zinc/20/75/70/263207570.db2.gz LKRUMXUGDPYQLC-CQSZACIVSA-N 0 1 253.336 3.567 20 0 CHADMN COc1ccc([C@H](N[C@H](C)c2nccnc2C)C2CC2)cc1 ZINC000187716986 263266787 /nfs/dbraw/zinc/26/67/87/263266787.db2.gz XPTGZZIDUZRALY-FZKQIMNGSA-N 0 1 297.402 3.596 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](N[C@@H](C)c1nccn1C)CC2 ZINC000187801816 263268800 /nfs/dbraw/zinc/26/88/00/263268800.db2.gz NMXYQMXZMOAVAU-SUMWQHHRSA-N 0 1 283.419 3.882 20 0 CHADMN C[C@@H]1C[C@H]1CN1CCC[C@H]1c1ccc(Br)cn1 ZINC000453611500 263281930 /nfs/dbraw/zinc/28/19/30/263281930.db2.gz KSKFUZZUOLXADD-SUNKGSAMSA-N 0 1 295.224 3.637 20 0 CHADMN CC[C@@H](F)CSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000440576589 263365671 /nfs/dbraw/zinc/36/56/71/263365671.db2.gz QYOBGQXXZXISRA-VQCYPWCPSA-N 0 1 281.356 3.717 20 0 CHADMN CC1(C)C(NCc2csc(C3CC3)n2)C1(C)C ZINC000342404664 263430784 /nfs/dbraw/zinc/43/07/84/263430784.db2.gz SBPHCYVVSMPACH-UHFFFAOYSA-N 0 1 250.411 3.545 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)c1ccoc1C1CC1 ZINC000334169968 263491487 /nfs/dbraw/zinc/49/14/87/263491487.db2.gz BHEJBDXQFYUOHT-UHFFFAOYSA-N 0 1 295.697 3.907 20 0 CHADMN CC[C@H](F)CN1CCC(Oc2ccc(C)cc2)CC1 ZINC000440702592 263631363 /nfs/dbraw/zinc/63/13/63/263631363.db2.gz PEGMZQUTQQWRKS-AWEZNQCLSA-N 0 1 265.372 3.586 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1Cc1cncn1C(C)C ZINC000425333712 264010850 /nfs/dbraw/zinc/01/08/50/264010850.db2.gz FMJACGMAUDVQBN-QGZVFWFLSA-N 0 1 283.419 3.801 20 0 CHADMN CC(C)n1cncc1CN1CCc2ccccc2[C@H]1C ZINC000425336028 264012164 /nfs/dbraw/zinc/01/21/64/264012164.db2.gz KEVHBHCSVLXMJI-CQSZACIVSA-N 0 1 269.392 3.583 20 0 CHADMN CC(C)c1cnc(CN2CCCC[C@@H]2CC(N)=O)s1 ZINC000330804533 264042709 /nfs/dbraw/zinc/04/27/09/264042709.db2.gz IDRBANXQDRPOPL-LLVKDONJSA-N 0 1 281.425 3.546 20 0 CHADMN C[C@@H]1CCN(Cc2cnc([C@@H]3CCCO3)s2)[C@H](C)C1 ZINC000425358386 264069993 /nfs/dbraw/zinc/06/99/93/264069993.db2.gz QOBFHLNNYXETHZ-BZPMIXESSA-N 0 1 280.437 3.615 20 0 CHADMN FC(F)CC1CN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000425363111 264135901 /nfs/dbraw/zinc/13/59/01/264135901.db2.gz ATEBJRCXGGLHHS-UHFFFAOYSA-N 0 1 295.251 3.672 20 0 CHADMN CS[C@@H]1CC[C@H]1N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000425360781 264143155 /nfs/dbraw/zinc/14/31/55/264143155.db2.gz SYIRGAUZLSJODQ-HBNTYKKESA-N 0 1 284.494 3.985 20 0 CHADMN CC(C)CC(C)(C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000331282550 264171756 /nfs/dbraw/zinc/17/17/56/264171756.db2.gz GFYDBNBYOPANIZ-UHFFFAOYSA-N 0 1 259.353 3.574 20 0 CHADMN CC(C)(C)c1cnc(CN2CCCC[C@H]2CC(N)=O)s1 ZINC000331300479 264199496 /nfs/dbraw/zinc/19/94/96/264199496.db2.gz BWUADHNBRUAUPU-NSHDSACASA-N 0 1 295.452 3.720 20 0 CHADMN CC[C@H](O)CCNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000126264232 264202123 /nfs/dbraw/zinc/20/21/23/264202123.db2.gz UXLQJWOMQCUEBL-NSHDSACASA-N 0 1 298.308 3.827 20 0 CHADMN C[C@H](N[C@H]1CN(C)Cc2ccccc21)c1ccccc1F ZINC000366807701 264235330 /nfs/dbraw/zinc/23/53/30/264235330.db2.gz SAJOHXSDVWPZQL-UGSOOPFHSA-N 0 1 284.378 3.663 20 0 CHADMN Clc1cccc(CN[C@H]2COCc3ccccc32)c1 ZINC000225998005 264260877 /nfs/dbraw/zinc/26/08/77/264260877.db2.gz XNQRTUCDAUNMGR-INIZCTEOSA-N 0 1 273.763 3.701 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1c(C)oc2ccccc21 ZINC000189009545 264267604 /nfs/dbraw/zinc/26/76/04/264267604.db2.gz QNWCBBPGGUWPAM-GFCCVEGCSA-N 0 1 296.370 3.996 20 0 CHADMN CCN(Cc1ccccc1)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000343265217 264268634 /nfs/dbraw/zinc/26/86/34/264268634.db2.gz CRBGLRIQSZBXPM-MRXNPFEDSA-N 0 1 290.451 3.542 20 0 CHADMN CCCCN(Cc1nc(C(F)F)no1)C1CCCCC1 ZINC000425397879 264276810 /nfs/dbraw/zinc/27/68/10/264276810.db2.gz MVYNEFCUTGWKSQ-UHFFFAOYSA-N 0 1 287.354 3.942 20 0 CHADMN CC1CCC(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])CC1 ZINC000251572196 264280660 /nfs/dbraw/zinc/28/06/60/264280660.db2.gz BSYWCXLKMKHDKY-PEHJNBARSA-N 0 1 279.424 3.530 20 0 CHADMN CCc1ccccc1CN(Cc1cccnc1)C1CC1 ZINC000189285101 264286764 /nfs/dbraw/zinc/28/67/64/264286764.db2.gz JTOYIQOEPLPAHQ-UHFFFAOYSA-N 0 1 266.388 3.809 20 0 CHADMN CCc1cc(=O)[nH]c(CN(CC)[C@H](CC)c2ccccc2)n1 ZINC000468274827 264289474 /nfs/dbraw/zinc/28/94/74/264289474.db2.gz RCEGJHWFEOSOAH-MRXNPFEDSA-N 0 1 299.418 3.718 20 0 CHADMN CCN(CC1CC1)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000189462885 264301946 /nfs/dbraw/zinc/30/19/46/264301946.db2.gz QCLWTHXULCPIKJ-UHFFFAOYSA-N 0 1 297.402 3.566 20 0 CHADMN CC(C)(C)[C@H]1CCCC[C@H]1NCc1nc(C(F)F)no1 ZINC000425422056 264313144 /nfs/dbraw/zinc/31/31/44/264313144.db2.gz WJWVPSRMHOGFDO-VHSXEESVSA-N 0 1 287.354 3.702 20 0 CHADMN Cc1cncc(CN2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000189756796 264321504 /nfs/dbraw/zinc/32/15/04/264321504.db2.gz YYFFWKHGVKTDFC-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCc1nc(C(F)F)no1 ZINC000425458697 264330647 /nfs/dbraw/zinc/33/06/47/264330647.db2.gz NABPSJZBHALMQU-GMTAPVOTSA-N 0 1 287.354 3.558 20 0 CHADMN Cc1cncc(CN2CCSC3(CCCCC3)C2)c1 ZINC000189918518 264338833 /nfs/dbraw/zinc/33/88/33/264338833.db2.gz MHRHDPQQJZKTSJ-UHFFFAOYSA-N 0 1 276.449 3.642 20 0 CHADMN C[C@H](NCCC1CCCC1)c1nc(C(C)(C)C)no1 ZINC000192683729 264586645 /nfs/dbraw/zinc/58/66/45/264586645.db2.gz PKVBTMCXSMFFOS-NSHDSACASA-N 0 1 265.401 3.598 20 0 CHADMN COc1cncc(CN(C)Cc2csc3ccccc23)c1 ZINC000343988705 265050058 /nfs/dbraw/zinc/05/00/58/265050058.db2.gz YUZZRLSYLZLSGL-UHFFFAOYSA-N 0 1 298.411 3.937 20 0 CHADMN CCO[C@@H]1C[C@@H](NCc2nc(C)sc2C)C12CCCC2 ZINC000344295386 265056134 /nfs/dbraw/zinc/05/61/34/265056134.db2.gz KAXNSORWQJTDLE-HUUCEWRRSA-N 0 1 294.464 3.587 20 0 CHADMN C[C@H](NC1(c2ccc(F)cc2)CC1)c1cccnc1 ZINC000346794838 265117695 /nfs/dbraw/zinc/11/76/95/265117695.db2.gz LPZGQHOWAUMJMQ-LBPRGKRZSA-N 0 1 256.324 3.561 20 0 CHADMN Cc1nc(CN2CCC[C@@H](c3ccccc3)C2)oc1C ZINC000335455092 265156412 /nfs/dbraw/zinc/15/64/12/265156412.db2.gz CYLQNVGGOZBFKV-MRXNPFEDSA-N 0 1 270.376 3.671 20 0 CHADMN C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)c1c(F)cccc1F ZINC000094423879 265243103 /nfs/dbraw/zinc/24/31/03/265243103.db2.gz GWJYMPUIKDHFCG-GXFFZTMASA-N 0 1 283.362 3.962 20 0 CHADMN CCC(CC)CNC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000519162500 265348983 /nfs/dbraw/zinc/34/89/83/265348983.db2.gz QQJCSXIYSQXUGU-KRWDZBQOSA-N 0 1 290.451 3.622 20 0 CHADMN CCCCc1noc([C@@H](C)N[C@@H](CC)C(C)(C)C)n1 ZINC000519255978 265376929 /nfs/dbraw/zinc/37/69/29/265376929.db2.gz PLPCZAPSYNABSJ-NEPJUHHUSA-N 0 1 267.417 3.888 20 0 CHADMN Cc1cc(C)c(CNCc2ccc(C)c(C)n2)c(C)c1 ZINC000314772670 266016553 /nfs/dbraw/zinc/01/65/53/266016553.db2.gz LGEJBRBCMFXVST-UHFFFAOYSA-N 0 1 268.404 3.914 20 0 CHADMN Cc1ccc(CNCc2ccc(OC(C)C)cc2)nc1C ZINC000314800057 266031713 /nfs/dbraw/zinc/03/17/13/266031713.db2.gz OAKPUOVCGCMSTJ-UHFFFAOYSA-N 0 1 284.403 3.775 20 0 CHADMN COc1cccc([C@@H](C)N(C)Cc2cnccc2C)c1 ZINC000353384065 266038687 /nfs/dbraw/zinc/03/86/87/266038687.db2.gz RWKSPQJWJZLPFU-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN Cc1csc(CN2CCC[C@H](Cc3ccccc3)C2)n1 ZINC000353384372 266038697 /nfs/dbraw/zinc/03/86/97/266038697.db2.gz DUGZSMGKZRUAMG-MRXNPFEDSA-N 0 1 286.444 3.906 20 0 CHADMN CSc1ccc(CN(C)Cc2ccc(O)cc2)s1 ZINC000356295343 266090394 /nfs/dbraw/zinc/09/03/94/266090394.db2.gz BFGFYORUKMGYEM-UHFFFAOYSA-N 0 1 279.430 3.808 20 0 CHADMN CO[C@H]1CCN(Cc2cscc2C(F)(F)F)[C@H](C)C1 ZINC000356299942 266091449 /nfs/dbraw/zinc/09/14/49/266091449.db2.gz IEZRTLQWPVCTIE-KOLCDFICSA-N 0 1 293.354 3.766 20 0 CHADMN CC1(C)CN(Cc2cnn(-c3ccc(F)cc3)c2)[C@H]1C1CC1 ZINC000356300028 266092079 /nfs/dbraw/zinc/09/20/79/266092079.db2.gz RBWZYFUTOCUFBL-KRWDZBQOSA-N 0 1 299.393 3.632 20 0 CHADMN c1ncn2c1CN(CC1CCC(c3ccccc3)CC1)CC2 ZINC000356304408 266092724 /nfs/dbraw/zinc/09/27/24/266092724.db2.gz XZULNURPFQIGAG-UHFFFAOYSA-N 0 1 295.430 3.673 20 0 CHADMN Cc1cc(CN2CCC[C@H]2/C=C/c2ccccc2)on1 ZINC000356350733 266100310 /nfs/dbraw/zinc/10/03/10/266100310.db2.gz FQSMEUZYRHHURP-SCOAYWHSSA-N 0 1 268.360 3.661 20 0 CHADMN C[C@@H]1CSCCN(Cc2cscc2C(F)(F)F)C1 ZINC000356393122 266106283 /nfs/dbraw/zinc/10/62/83/266106283.db2.gz LDRSTZVOUSRDLB-VIFPVBQESA-N 0 1 295.395 3.952 20 0 CHADMN CC(C)CC1(C)CCN(C(=O)c2cnc(C3CC3)[nH]2)CC1 ZINC000356479694 266121614 /nfs/dbraw/zinc/12/16/14/266121614.db2.gz QBQSFUCEPYJMNV-UHFFFAOYSA-N 0 1 289.423 3.576 20 0 CHADMN CC(C)N(C)C(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000356744056 266168955 /nfs/dbraw/zinc/16/89/55/266168955.db2.gz MYKLPVPNHVHILB-HNNXBMFYSA-N 0 1 298.430 3.527 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@@H](CCCO)c1ccccc1 ZINC000356846821 266187407 /nfs/dbraw/zinc/18/74/07/266187407.db2.gz JBJTVIBHKPAVOK-QAPCUYQASA-N 0 1 298.430 3.808 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@@H](c1cccnc1)C1CC1 ZINC000356852340 266191392 /nfs/dbraw/zinc/19/13/92/266191392.db2.gz RJPNYAGHXHWUAZ-FZKQIMNGSA-N 0 1 281.403 3.841 20 0 CHADMN Oc1cccc2c1CC[C@H]2NCc1cnc2ccccc2c1 ZINC000356860725 266195208 /nfs/dbraw/zinc/19/52/08/266195208.db2.gz FZHUVEPRZFIPFW-GOSISDBHSA-N 0 1 290.366 3.718 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)C3CCC3)n[nH]2)cc1 ZINC000356866422 266199172 /nfs/dbraw/zinc/19/91/72/266199172.db2.gz IYZXJDNJVJABAB-CYBMUJFWSA-N 0 1 297.402 3.646 20 0 CHADMN C[C@H](c1noc(-c2cc(-c3ccco3)n[nH]2)n1)C(C)(C)C ZINC000356884727 266204493 /nfs/dbraw/zinc/20/44/93/266204493.db2.gz VHTODGHZMFCWJH-SECBINFHSA-N 0 1 286.335 3.869 20 0 CHADMN CCc1ccc(CN2CCC(n3cc(Cl)cn3)CC2)o1 ZINC000356950322 266217133 /nfs/dbraw/zinc/21/71/33/266217133.db2.gz VSJMTSYQBANGPL-UHFFFAOYSA-N 0 1 293.798 3.529 20 0 CHADMN Cc1cc(-c2noc(-c3ccsc3)n2)cc2nc[nH]c21 ZINC000356954779 266217440 /nfs/dbraw/zinc/21/74/40/266217440.db2.gz XPWNOSJRWMGWIU-UHFFFAOYSA-N 0 1 282.328 3.650 20 0 CHADMN C[C@@H]1CCN(Cc2nc(-c3ccccc3)no2)CC12CCC2 ZINC000357036786 266237507 /nfs/dbraw/zinc/23/75/07/266237507.db2.gz JYSVJFOWNNRMJS-CQSZACIVSA-N 0 1 297.402 3.749 20 0 CHADMN Cc1cccc(C2=CCN(Cc3cccc(C)n3)CC2)c1 ZINC000357048595 266238149 /nfs/dbraw/zinc/23/81/49/266238149.db2.gz ZWWGBTIKZCXYIE-UHFFFAOYSA-N 0 1 278.399 3.988 20 0 CHADMN Cc1cnc(CN2CCC[C@@H](Cc3ccccc3)C2)s1 ZINC000357304581 266273793 /nfs/dbraw/zinc/27/37/93/266273793.db2.gz KTEQUBAQWUPPTI-INIZCTEOSA-N 0 1 286.444 3.906 20 0 CHADMN CSc1cc(CNCc2cc3ccccc3o2)ccn1 ZINC000357375600 266286576 /nfs/dbraw/zinc/28/65/76/266286576.db2.gz VEEOFTKMXARLML-UHFFFAOYSA-N 0 1 284.384 3.840 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1csc(C2CC2)n1 ZINC000357556327 266323382 /nfs/dbraw/zinc/32/33/82/266323382.db2.gz VTFAOCRYFIOZTF-GWCFXTLKSA-N 0 1 250.411 3.783 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1nc(-c2cccs2)no1 ZINC000357557777 266325414 /nfs/dbraw/zinc/32/54/14/266325414.db2.gz ZTOCAOGSHRKQQS-MNOVXSKESA-N 0 1 277.393 3.561 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN(CCOCC2CC2)C2CC2)o1 ZINC000357603626 266333518 /nfs/dbraw/zinc/33/35/18/266333518.db2.gz JHXXIUXXFWTDFN-GUYCJALGSA-N 0 1 289.419 3.794 20 0 CHADMN COc1ccccc1[C@H](C)NCc1ccnc(SC)c1 ZINC000357849618 266376828 /nfs/dbraw/zinc/37/68/28/266376828.db2.gz JNKLEKSAZJBMLA-LBPRGKRZSA-N 0 1 288.416 3.663 20 0 CHADMN C[C@H](NCc1ccc2c(c1)CCC2)c1cncc(F)c1 ZINC000357988988 266394058 /nfs/dbraw/zinc/39/40/58/266394058.db2.gz GDMZZHDOTJACIC-LBPRGKRZSA-N 0 1 270.351 3.560 20 0 CHADMN Cc1occc1CN[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000358008020 266396708 /nfs/dbraw/zinc/39/67/08/266396708.db2.gz AMNDDSFSDAXIAL-OAHLLOKOSA-N 0 1 271.360 3.980 20 0 CHADMN Cc1ccsc1[C@H](CO)N[C@@H](C)c1ccccc1F ZINC000358396711 266459027 /nfs/dbraw/zinc/45/90/27/266459027.db2.gz IBVYCXIFEGLWFF-FZMZJTMJSA-N 0 1 279.380 3.580 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccncc2CC)o1 ZINC000358501566 266470083 /nfs/dbraw/zinc/47/00/83/266470083.db2.gz AOBJLGXVZMJGOQ-LBPRGKRZSA-N 0 1 258.365 3.650 20 0 CHADMN COc1cc2c(cc1F)nccc2NCCCSC ZINC000359518342 266596287 /nfs/dbraw/zinc/59/62/87/266596287.db2.gz YZHLTELJPWLGPH-UHFFFAOYSA-N 0 1 280.368 3.548 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1cncc(C(F)(F)F)c1 ZINC000361301183 266818930 /nfs/dbraw/zinc/81/89/30/266818930.db2.gz VFBHGYWZINKBAH-GHMZBOCLSA-N 0 1 272.314 3.863 20 0 CHADMN C[C@H](NCc1ccccn1)c1ccc2ncsc2c1 ZINC000362524118 267000660 /nfs/dbraw/zinc/00/06/60/267000660.db2.gz HRQMHABGLGPYFM-NSHDSACASA-N 0 1 269.373 3.542 20 0 CHADMN Fc1cccc(F)c1C1CCN(CCOCC2CC2)CC1 ZINC000362579129 267010097 /nfs/dbraw/zinc/01/00/97/267010097.db2.gz HFQQSHDABROVDS-UHFFFAOYSA-N 0 1 295.373 3.571 20 0 CHADMN CN1Cc2ccc(NCc3cc4ccc(F)cc4[nH]3)cc2C1 ZINC000362928044 267061914 /nfs/dbraw/zinc/06/19/14/267061914.db2.gz OGSRZMRDAGPGBL-UHFFFAOYSA-N 0 1 295.361 3.865 20 0 CHADMN COCCSCCCN(C)Cc1ccccc1Cl ZINC000362958494 267067140 /nfs/dbraw/zinc/06/71/40/267067140.db2.gz PZHADCFMIDGIJW-UHFFFAOYSA-N 0 1 287.856 3.542 20 0 CHADMN CCc1cc(C)c(C(=O)Nc2ccc3nc(C)[nH]c3c2)o1 ZINC000362989614 267070589 /nfs/dbraw/zinc/07/05/89/267070589.db2.gz JQAYIKKHACDFER-UHFFFAOYSA-N 0 1 283.331 3.587 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2coc3ccccc23)n[nH]1 ZINC000362987883 267070999 /nfs/dbraw/zinc/07/09/99/267070999.db2.gz VZXQZSUNUXSCNQ-NEPJUHHUSA-N 0 1 298.390 3.915 20 0 CHADMN Cc1c2ccccc2oc1CN[C@@H]1CCCc2n[nH]cc21 ZINC000367601155 267102927 /nfs/dbraw/zinc/10/29/27/267102927.db2.gz MRHBXOBSBXMOCC-CQSZACIVSA-N 0 1 281.359 3.632 20 0 CHADMN CCn1nccc1CN[C@@H](C)c1ccc(C2CC2)cc1 ZINC000418116472 267129994 /nfs/dbraw/zinc/12/99/94/267129994.db2.gz QUJQSCWKBYPZRQ-ZDUSSCGKSA-N 0 1 269.392 3.631 20 0 CHADMN CC(C)n1ncc2c1[C@@H](N[C@@H](C)c1ccncc1)CCC2 ZINC000368135975 267147412 /nfs/dbraw/zinc/14/74/12/267147412.db2.gz SKXUTGRJPFTBCM-BBRMVZONSA-N 0 1 284.407 3.587 20 0 CHADMN c1sc(-c2ccccn2)nc1CN1CCC(C2CC2)CC1 ZINC000368334877 267163643 /nfs/dbraw/zinc/16/36/43/267163643.db2.gz XKILJSZXMZDKOR-UHFFFAOYSA-N 0 1 299.443 3.827 20 0 CHADMN COc1cccc2c1OCC[C@@H]2N[C@H]1CCCc2occc21 ZINC000368446107 267173054 /nfs/dbraw/zinc/17/30/54/267173054.db2.gz UKVWATKKFWAREX-GJZGRUSLSA-N 0 1 299.370 3.779 20 0 CHADMN COC[C@@H]1CCCCN(Cc2ncc(C(C)C)s2)C1 ZINC000368658258 267194879 /nfs/dbraw/zinc/19/48/79/267194879.db2.gz ICMSUSMYQXBXSY-CYBMUJFWSA-N 0 1 282.453 3.515 20 0 CHADMN C[C@H](c1cccnc1)N1CC2(CCCC2)OC(C)(C)C1 ZINC000369052114 267219808 /nfs/dbraw/zinc/21/98/08/267219808.db2.gz SJRIMHBMMJRNAX-CQSZACIVSA-N 0 1 274.408 3.566 20 0 CHADMN Cc1nn(C(C)C)cc1CN1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000369206421 267226378 /nfs/dbraw/zinc/22/63/78/267226378.db2.gz VMQPTTPLVGXXTO-KSSFIOAISA-N 0 1 298.434 3.751 20 0 CHADMN Cc1nn(C(C)C)cc1CN1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000369206422 267226536 /nfs/dbraw/zinc/22/65/36/267226536.db2.gz VMQPTTPLVGXXTO-RDTXWAMCSA-N 0 1 298.434 3.751 20 0 CHADMN Cc1cnc(CN[C@H](C)c2ccc(C3CC3)cc2)cn1 ZINC000418117435 267235559 /nfs/dbraw/zinc/23/55/59/267235559.db2.gz TWEORZVUIHBUTO-CYBMUJFWSA-N 0 1 267.376 3.513 20 0 CHADMN Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccccc1Cl ZINC000370416491 267318090 /nfs/dbraw/zinc/31/80/90/267318090.db2.gz RITMKCBHYXDJEY-INIZCTEOSA-N 0 1 289.810 3.719 20 0 CHADMN CCn1cncc1CN[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000418133381 267359434 /nfs/dbraw/zinc/35/94/34/267359434.db2.gz FVADZVBXGMRCPR-BLLLJJGKSA-N 0 1 289.810 3.581 20 0 CHADMN COCCCCN(C)Cc1cc(Cl)ccc1Cl ZINC000418139717 267362109 /nfs/dbraw/zinc/36/21/09/267362109.db2.gz UTWNAHCCMSDZSL-UHFFFAOYSA-N 0 1 276.207 3.852 20 0 CHADMN c1csc(-c2cc(CN3CC[C@@H](C4CC4)C3)no2)c1 ZINC000371307591 267386111 /nfs/dbraw/zinc/38/61/11/267386111.db2.gz GNOAUJWYPWOGGW-GFCCVEGCSA-N 0 1 274.389 3.635 20 0 CHADMN C[C@H](NC1(C2CC2)CCOCC1)c1ncc(C(C)(C)C)o1 ZINC000375727558 267893983 /nfs/dbraw/zinc/89/39/83/267893983.db2.gz QYKIRZCEJLHTSB-LBPRGKRZSA-N 0 1 292.423 3.582 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2n[nH]cc21)c1cc(F)ccc1F ZINC000375840334 267910138 /nfs/dbraw/zinc/91/01/38/267910138.db2.gz PASSLBQEFMYAQD-CABCVRRESA-N 0 1 291.345 3.806 20 0 CHADMN CC(C)(C)C[C@@H](N[C@@H]1CCCc2[nH]ncc21)C(F)(F)F ZINC000375842554 267911594 /nfs/dbraw/zinc/91/15/94/267911594.db2.gz VZSVEFSZFSLXJL-ZYHUDNBSSA-N 0 1 289.345 3.744 20 0 CHADMN CC[C@H](N[C@H]1CCCc2c[nH]nc21)c1cccs1 ZINC000376490903 267983184 /nfs/dbraw/zinc/98/31/84/267983184.db2.gz IRVLJHNOHFNAGY-RYUDHWBXSA-N 0 1 261.394 3.590 20 0 CHADMN Clc1cccc([C@H]2CCCCN2Cc2cnc[nH]2)c1 ZINC000376638605 268004458 /nfs/dbraw/zinc/00/44/58/268004458.db2.gz XZRBBIDSXOLCAK-OAHLLOKOSA-N 0 1 275.783 3.790 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1nc(C(C)(C)C)cs1 ZINC000123249507 268018575 /nfs/dbraw/zinc/01/85/75/268018575.db2.gz CCNXFDFQQJXBAL-QWRGUYRKSA-N 0 1 252.427 3.813 20 0 CHADMN CC(C)n1nccc1CN1CCC[C@@H](Oc2ccccc2)C1 ZINC000377032545 268042437 /nfs/dbraw/zinc/04/24/37/268042437.db2.gz UUDHDOPDDWALCV-GOSISDBHSA-N 0 1 299.418 3.507 20 0 CHADMN CCCCOC1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000361192987 327633106 /nfs/dbraw/zinc/63/31/06/327633106.db2.gz ZTQJIKIFUGCIIK-UHFFFAOYSA-N 0 1 295.398 3.615 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1C(=O)c1c(O)cc(Cl)cc1Cl ZINC000175269464 327664528 /nfs/dbraw/zinc/66/45/28/327664528.db2.gz IFXQOGPWPIOHIQ-JGVFFNPUSA-N 0 1 288.174 3.570 20 0 CHADMN CCC(C)(C)N(C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000580213463 327735444 /nfs/dbraw/zinc/73/54/44/327735444.db2.gz QYWZQGTWDIIYOU-UHFFFAOYSA-N 0 1 289.297 3.672 20 0 CHADMN CCc1noc(CC)c1CNCc1ccc2[nH]ccc2c1 ZINC000580328601 327829144 /nfs/dbraw/zinc/82/91/44/327829144.db2.gz ZPBSVVVNDMCGLO-UHFFFAOYSA-N 0 1 283.375 3.571 20 0 CHADMN COc1ccc2ccccc2c1CNCc1cnc(C)s1 ZINC000040437496 327906902 /nfs/dbraw/zinc/90/69/02/327906902.db2.gz ROHLXADKZBYJBQ-UHFFFAOYSA-N 0 1 298.411 3.903 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1ccsc1 ZINC000186107117 327915978 /nfs/dbraw/zinc/91/59/78/327915978.db2.gz CUWYMEQISDNMKB-SECBINFHSA-N 0 1 253.392 3.669 20 0 CHADMN CC[C@@H](NCc1sc(C)nc1C)c1ccc(F)cn1 ZINC000312095882 327927545 /nfs/dbraw/zinc/92/75/45/327927545.db2.gz RNEOECJYKCROHU-GFCCVEGCSA-N 0 1 279.384 3.535 20 0 CHADMN CC(C)CCN(CCC(C)C)Cc1nc(C2CC2)nn1C ZINC000570958709 327962836 /nfs/dbraw/zinc/96/28/36/327962836.db2.gz MGYJUDBERXNEOM-UHFFFAOYSA-N 0 1 292.471 3.587 20 0 CHADMN Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCCCCC(=O)[O-])C1 ZINC000563284096 328008526 /nfs/dbraw/zinc/00/85/26/328008526.db2.gz QZERRFYMXBAFBP-HOTGVXAUSA-N 0 1 289.419 3.818 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CCCCC(=O)[O-] ZINC000563285123 328008618 /nfs/dbraw/zinc/00/86/18/328008618.db2.gz XTILKHXXCKNKAD-GDBMZVCRSA-N 0 1 275.392 3.509 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000563278770 328006800 /nfs/dbraw/zinc/00/68/00/328006800.db2.gz MMCSBJKJNMXKDO-UHFFFAOYSA-N 0 1 291.391 3.829 20 0 CHADMN CC[C@@H](C)C[N@@H+](C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000563278673 328006925 /nfs/dbraw/zinc/00/69/25/328006925.db2.gz LYZWBYWVCCKLQV-SNVBAGLBSA-N 0 1 269.772 3.516 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)cs1 ZINC000563280291 328007256 /nfs/dbraw/zinc/00/72/56/328007256.db2.gz OOLITGMVOUASFC-MRXNPFEDSA-N 0 1 291.416 3.769 20 0 CHADMN CC[C@H](C[N@@H+](CC)CC1(CC(=O)[O-])CC1)c1ccccc1 ZINC000563282684 328007652 /nfs/dbraw/zinc/00/76/52/328007652.db2.gz KAIFSOYVCBZLIA-OAHLLOKOSA-N 0 1 289.419 3.757 20 0 CHADMN Cc1oc(C[N@@H+]2CCC[C@H]2CCC(C)C)cc1C(=O)[O-] ZINC000563282840 328007700 /nfs/dbraw/zinc/00/77/00/328007700.db2.gz KKEIDVCFHDPYOQ-ZDUSSCGKSA-N 0 1 279.380 3.687 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1c(Cl)ccc2cccnc21 ZINC000339572586 328011718 /nfs/dbraw/zinc/01/17/18/328011718.db2.gz AGEFLHNQCGXQJQ-WDEREUQCSA-N 0 1 260.768 3.728 20 0 CHADMN CCCC[C@H](CC)c1nc(C2(N)CCCCC2)no1 ZINC000041153440 328024637 /nfs/dbraw/zinc/02/46/37/328024637.db2.gz KXXXTMPKMXQGFQ-LBPRGKRZSA-N 0 1 265.401 3.872 20 0 CHADMN Oc1ccc(-c2nc3cnccc3s2)cc1Cl ZINC000110056079 328030305 /nfs/dbraw/zinc/03/03/05/328030305.db2.gz GRORRVLZDQHLND-UHFFFAOYSA-N 0 1 262.721 3.717 20 0 CHADMN Cc1ccc(O)c(C[N@H+](C)[C@@H]2CCCc3ccccc32)n1 ZINC000534332962 328045214 /nfs/dbraw/zinc/04/52/14/328045214.db2.gz ZAIKDQRORBNSHH-QGZVFWFLSA-N 0 1 282.387 3.605 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@H](C)c2cscn2)C1(CC)CC ZINC000534329145 328046235 /nfs/dbraw/zinc/04/62/35/328046235.db2.gz PKBSVRKSKBBJST-MRVWCRGKSA-N 0 1 282.453 3.778 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@H](C)c2cscn2)C1(CC)CC ZINC000534329143 328046331 /nfs/dbraw/zinc/04/63/31/328046331.db2.gz PKBSVRKSKBBJST-KWCYVHTRSA-N 0 1 282.453 3.778 20 0 CHADMN C[C@@H](O)CN(Cc1ccc(Cl)s1)Cc1ccccc1 ZINC000534345706 328047333 /nfs/dbraw/zinc/04/73/33/328047333.db2.gz RJJTYVWVTOHJPL-GFCCVEGCSA-N 0 1 295.835 3.785 20 0 CHADMN CC(C)CN(C(=O)c1[nH]nc2ccccc21)C1CCCC1 ZINC000110362095 328048632 /nfs/dbraw/zinc/04/86/32/328048632.db2.gz FHQRLEXBZIRDON-UHFFFAOYSA-N 0 1 285.391 3.604 20 0 CHADMN COc1cccc(C2(NCc3c(C)nsc3C)CC2)c1 ZINC000563356547 328057915 /nfs/dbraw/zinc/05/79/15/328057915.db2.gz SRFPCMVHEOJLQK-UHFFFAOYSA-N 0 1 288.416 3.547 20 0 CHADMN Cc1nsc(C)c1CN1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000563356722 328057956 /nfs/dbraw/zinc/05/79/56/328057956.db2.gz UHYKGOGCRSQDBJ-SKDRFNHKSA-N 0 1 292.370 3.923 20 0 CHADMN CC1(C)CC[C@H]1NCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000563367426 328059814 /nfs/dbraw/zinc/05/98/14/328059814.db2.gz ODSRGDVEOCKUQA-GFCCVEGCSA-N 0 1 291.782 3.668 20 0 CHADMN CCS[C@@H]1CCCC[N@@H+](Cc2ccsc2C(=O)[O-])C1 ZINC000571172289 328090498 /nfs/dbraw/zinc/09/04/98/328090498.db2.gz SXMWNSGOYSYAKV-GFCCVEGCSA-N 0 1 299.461 3.554 20 0 CHADMN O=C([O-])C1([N@@H+](Cc2ccc(C(F)F)cc2)C2CC2)CCC1 ZINC000571181285 328090944 /nfs/dbraw/zinc/09/09/44/328090944.db2.gz WBWXXQAQMQKVQC-UHFFFAOYSA-N 0 1 295.329 3.596 20 0 CHADMN C[C@@H]1CCC[C@H](C)N(Cc2cc(C(C)(C)C)on2)C1 ZINC000571247061 328095164 /nfs/dbraw/zinc/09/51/64/328095164.db2.gz KUZVRQKWFWLUHJ-OLZOCXBDSA-N 0 1 264.413 3.983 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1nccn1C(F)F)C1CC1 ZINC000170931043 329072267 /nfs/dbraw/zinc/07/22/67/329072267.db2.gz WAYJQLBNKXZREY-QWRGUYRKSA-N 0 1 271.355 3.677 20 0 CHADMN CCN(Cc1nnc(-c2ccccc2)o1)C1CC(C)(C)C1 ZINC000412042311 328102181 /nfs/dbraw/zinc/10/21/81/328102181.db2.gz UWHLLDJRLRBHCG-UHFFFAOYSA-N 0 1 285.391 3.747 20 0 CHADMN CC(C)c1noc(CN[C@@H]2CCCC[C@@H]2C(C)(C)C)n1 ZINC000171688826 329078291 /nfs/dbraw/zinc/07/82/91/329078291.db2.gz FWIYOIIEZRUDJW-QWHCGFSZSA-N 0 1 279.428 3.888 20 0 CHADMN CC[C@@]1(C)CCC[N@@H+](Cc2cc(C(=O)[O-])sc2C)C1 ZINC000571571646 328134523 /nfs/dbraw/zinc/13/45/23/328134523.db2.gz UHJDNZYVPHBSIZ-HNNXBMFYSA-N 0 1 281.421 3.767 20 0 CHADMN Fc1cc(Cl)cc(CN2CCOC[C@@H](C3CCC3)C2)c1 ZINC000430123234 328136099 /nfs/dbraw/zinc/13/60/99/328136099.db2.gz PSKGMVMLCGKXMV-AWEZNQCLSA-N 0 1 297.801 3.728 20 0 CHADMN CC[C@H](CN1CCOC[C@@H]1CC(F)F)c1ccccc1 ZINC000571601977 328136740 /nfs/dbraw/zinc/13/67/40/328136740.db2.gz ITUKWJZHCAKTNM-HIFRSBDPSA-N 0 1 283.362 3.536 20 0 CHADMN CSCCCSCc1ccc2nc(C)[nH]c2c1 ZINC000413011279 328139621 /nfs/dbraw/zinc/13/96/21/328139621.db2.gz VJGJJGYKLOBBJV-UHFFFAOYSA-N 0 1 266.435 3.858 20 0 CHADMN Cc1ccc([C@H](N[C@@H](C)c2cc3n(n2)CCC3)C2CC2)cc1 ZINC000414064561 328152715 /nfs/dbraw/zinc/15/27/15/328152715.db2.gz NKTXTKVKTHHTRT-LIRRHRJNSA-N 0 1 295.430 3.940 20 0 CHADMN C[C@@H](NCc1cnccc1C(C)(C)C)c1cccc(O)c1 ZINC000414220498 328153380 /nfs/dbraw/zinc/15/33/80/328153380.db2.gz CCGXUAVBJYIZRX-CYBMUJFWSA-N 0 1 284.403 3.936 20 0 CHADMN OCCCC[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000264011421 328156791 /nfs/dbraw/zinc/15/67/91/328156791.db2.gz SGCHILJEWCDVSW-UHFFFAOYSA-N 0 1 287.378 3.600 20 0 CHADMN OCCCCN(Cc1ccccc1)Cc1ccccc1F ZINC000264011421 328156792 /nfs/dbraw/zinc/15/67/92/328156792.db2.gz SGCHILJEWCDVSW-UHFFFAOYSA-N 0 1 287.378 3.600 20 0 CHADMN CC(C)Cc1ccc([C@@H](NCc2nccn2C)C2CC2)cc1 ZINC000264014823 328157259 /nfs/dbraw/zinc/15/72/59/328157259.db2.gz CJEWGMMVWBXQEE-LJQANCHMSA-N 0 1 297.446 3.860 20 0 CHADMN Cc1occc1CN[C@H](c1ncccc1C)C(C)C ZINC000414397196 328163140 /nfs/dbraw/zinc/16/31/40/328163140.db2.gz SUWMOEDHEYSKNE-HNNXBMFYSA-N 0 1 258.365 3.778 20 0 CHADMN COc1cccc([C@@H](C)N[C@@H](C)c2cnn(C(C)C)c2)c1 ZINC000267186667 328174655 /nfs/dbraw/zinc/17/46/55/328174655.db2.gz CPYMSSAPOODGMM-KGLIPLIRSA-N 0 1 287.407 3.884 20 0 CHADMN CCC[N@@H+](Cc1cscn1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000172553397 329137263 /nfs/dbraw/zinc/13/72/63/329137263.db2.gz BXNDCFKPWMQQNX-KGLIPLIRSA-N 0 1 282.453 3.559 20 0 CHADMN CCCN(Cc1cscn1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000172553397 329137264 /nfs/dbraw/zinc/13/72/64/329137264.db2.gz BXNDCFKPWMQQNX-KGLIPLIRSA-N 0 1 282.453 3.559 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccccc1)c1ccccc1F ZINC000268965863 328187656 /nfs/dbraw/zinc/18/76/56/328187656.db2.gz GVMRHUWPTONCLW-CXAGYDPISA-N 0 1 273.351 3.600 20 0 CHADMN CCc1ccc(CNCc2cnccc2C(C)(C)C)cn1 ZINC000414493593 328188085 /nfs/dbraw/zinc/18/80/85/328188085.db2.gz CHDMSISSPQIMGC-UHFFFAOYSA-N 0 1 283.419 3.626 20 0 CHADMN CC[C@H](NCc1cc(C)ncn1)c1ccc(Cl)cc1 ZINC000270136105 328192142 /nfs/dbraw/zinc/19/21/42/328192142.db2.gz PJRLMHJMADICLO-HNNXBMFYSA-N 0 1 275.783 3.679 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H](C)c1sccc1C ZINC000437097766 328197813 /nfs/dbraw/zinc/19/78/13/328197813.db2.gz OTJBMWCVXGEIQN-NEPJUHHUSA-N 0 1 276.405 3.872 20 0 CHADMN Cc1ccc2sc(CN(C(C)C)[C@H]3CCOC3)nc2c1 ZINC000528508280 328199719 /nfs/dbraw/zinc/19/97/19/328199719.db2.gz HRXADUMJMNWOOR-ZDUSSCGKSA-N 0 1 290.432 3.604 20 0 CHADMN Cc1cc(Cl)ccc1-c1nc([C@H](N)CC(C)C)no1 ZINC000414620657 328204265 /nfs/dbraw/zinc/20/42/65/328204265.db2.gz QIDYRSQZGMAMIA-GFCCVEGCSA-N 0 1 279.771 3.744 20 0 CHADMN Cc1cc([C@H](C)NCCCc2ccc(Cl)cc2)no1 ZINC000282801255 328243521 /nfs/dbraw/zinc/24/35/21/328243521.db2.gz QTUIPWQBMQYCQW-LBPRGKRZSA-N 0 1 278.783 3.920 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)CC2CCCCC2)[nH]1 ZINC000283538952 328244274 /nfs/dbraw/zinc/24/42/74/328244274.db2.gz SBCOMZODLQHGRV-UHFFFAOYSA-N 0 1 285.391 3.524 20 0 CHADMN Cc1cc2cc(CNCc3ccnn3C(C)C)ccc2[nH]1 ZINC000285510356 328247881 /nfs/dbraw/zinc/24/78/81/328247881.db2.gz NZAWITFYLHPLSQ-UHFFFAOYSA-N 0 1 282.391 3.544 20 0 CHADMN Cc1ccc(CN[C@@H]2c3ccccc3CC23CCOCC3)o1 ZINC000289722580 328255978 /nfs/dbraw/zinc/25/59/78/328255978.db2.gz GDQJIZNFGQEETQ-GOSISDBHSA-N 0 1 297.398 3.772 20 0 CHADMN Cc1cc(C)cc([C@H](C)NCc2ncccc2N(C)C)c1 ZINC000289949841 328256882 /nfs/dbraw/zinc/25/68/82/328256882.db2.gz WKEVKVHQBIAZBF-HNNXBMFYSA-N 0 1 283.419 3.615 20 0 CHADMN Cc1noc([C@@H]2CCCN2CC[C@@H](C)c2ccccc2)n1 ZINC000289948830 328256960 /nfs/dbraw/zinc/25/69/60/328256960.db2.gz XRJLWORVWOMRIX-CJNGLKHVSA-N 0 1 285.391 3.709 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1ccc2sccc2c1 ZINC000289949897 328257001 /nfs/dbraw/zinc/25/70/01/328257001.db2.gz WKIPWVKBNCHVPP-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN CC(=O)c1ccc(CN2CCCC[C@@H]2c2cccn2C)cc1 ZINC000295064655 328284721 /nfs/dbraw/zinc/28/47/21/328284721.db2.gz PSDCAWQSAQBSAO-LJQANCHMSA-N 0 1 296.414 3.955 20 0 CHADMN CCC[C@@]1(C)CCC[N@H+]([C@H](C(=O)[O-])c2ccsc2)C1 ZINC000583031044 329304769 /nfs/dbraw/zinc/30/47/69/329304769.db2.gz WFMAOPHXYCDWHJ-ZFWWWQNUSA-N 0 1 281.421 3.776 20 0 CHADMN C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000471800203 328301047 /nfs/dbraw/zinc/30/10/47/328301047.db2.gz UNUJLCYRZSEALD-RISCZKNCSA-N 0 1 291.391 3.509 20 0 CHADMN CCCc1nc(CN[C@H]2CCCC[C@@H]2C(C)(C)C)no1 ZINC000111173934 328332482 /nfs/dbraw/zinc/33/24/82/328332482.db2.gz FWQCGTODGWKGLI-STQMWFEESA-N 0 1 279.428 3.717 20 0 CHADMN C[C@H](NCc1ccccc1CO)c1ccc2ccccc2n1 ZINC000531952124 328334248 /nfs/dbraw/zinc/33/42/48/328334248.db2.gz CFDTYWJCUCZZPW-AWEZNQCLSA-N 0 1 292.382 3.578 20 0 CHADMN CCCCc1nc2ccc(NC(=O)[C@H](C)CC)cc2[nH]1 ZINC000049428882 328361165 /nfs/dbraw/zinc/36/11/65/328361165.db2.gz PWUZTJMUPDUGMI-LLVKDONJSA-N 0 1 273.380 3.890 20 0 CHADMN CCCN(C)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000049480464 328364611 /nfs/dbraw/zinc/36/46/11/328364611.db2.gz OCRAQKDMVOUCSE-SECBINFHSA-N 0 1 289.206 3.662 20 0 CHADMN C[C@@H](NCCOC1CCCCC1)c1ccc(F)cc1F ZINC000111635450 328370200 /nfs/dbraw/zinc/37/02/00/328370200.db2.gz UTVGDKSIBPKQMN-GFCCVEGCSA-N 0 1 283.362 3.965 20 0 CHADMN CC1=C(C)C[C@@H](C(=O)Nc2cccc(-c3cn[nH]n3)c2)CC1 ZINC000575319497 335092961 /nfs/dbraw/zinc/09/29/61/335092961.db2.gz VXZDJWMXUFLIQN-AWEZNQCLSA-N 0 1 296.374 3.547 20 0 CHADMN C[C@H]1C[C@@H]1CN(C)Cc1ccccc1Br ZINC000111734787 328377990 /nfs/dbraw/zinc/37/79/90/328377990.db2.gz UGBBZSCKDKOUPH-CMPLNLGQSA-N 0 1 268.198 3.537 20 0 CHADMN C[C@H](NCC(C)(C)Oc1ccccc1)c1cscn1 ZINC000535064294 328382289 /nfs/dbraw/zinc/38/22/89/328382289.db2.gz TZLFSEHGOCNHEE-LBPRGKRZSA-N 0 1 276.405 3.651 20 0 CHADMN Cc1ccccc1OCCCN[C@@H](C)c1cscn1 ZINC000535065332 328382635 /nfs/dbraw/zinc/38/26/35/328382635.db2.gz KVPKWMWCDVWFSK-ZDUSSCGKSA-N 0 1 276.405 3.571 20 0 CHADMN COc1ccc(CN2C[C@@H](C)S[C@@H](C)C2)c(Cl)c1 ZINC000535085189 328386181 /nfs/dbraw/zinc/38/61/81/328386181.db2.gz AIXAFYQLZZIYKH-PHIMTYICSA-N 0 1 285.840 3.674 20 0 CHADMN CCCOc1ccc(CN(C)Cc2scnc2C)cc1 ZINC000535086166 328386989 /nfs/dbraw/zinc/38/69/89/328386989.db2.gz XBSPQLDBSQSAMF-UHFFFAOYSA-N 0 1 290.432 3.872 20 0 CHADMN C[C@@H](N[C@H]1C[C@@](C)(O)C1)c1cc(Cl)sc1Cl ZINC000417359352 328439000 /nfs/dbraw/zinc/43/90/00/328439000.db2.gz VMQAUFDWTXAXPR-AMXGMDGSSA-N 0 1 280.220 3.619 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccccc2F)c(C)c1 ZINC000537963160 328451492 /nfs/dbraw/zinc/45/14/92/328451492.db2.gz ASEZTBKDJKINIP-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN C[C@H](N[C@@H]1CCc2cc(F)ccc21)c1ccncc1F ZINC000334503207 328488766 /nfs/dbraw/zinc/48/87/66/328488766.db2.gz LGCPWFLDJWDIFH-MGPLVRAMSA-N 0 1 274.314 3.698 20 0 CHADMN COCc1ccc(CN[C@@H]2CSc3ccccc32)cc1 ZINC000344432479 328558186 /nfs/dbraw/zinc/55/81/86/328558186.db2.gz GDQGLHKCOADNRP-MRXNPFEDSA-N 0 1 285.412 3.770 20 0 CHADMN C[C@@H](Nc1cc2c(cn1)CCCC2)c1cccnc1 ZINC000335437368 328580950 /nfs/dbraw/zinc/58/09/50/328580950.db2.gz ZRSHFKVOWZAAOM-GFCCVEGCSA-N 0 1 253.349 3.529 20 0 CHADMN COc1ccc(OC)c(CN[C@H](C)c2ccc(C)cc2)c1 ZINC000037769895 326860747 /nfs/dbraw/zinc/86/07/47/326860747.db2.gz SEVAOXFRZDFMBR-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccc(C)cc2)c1OC ZINC000037769954 326860800 /nfs/dbraw/zinc/86/08/00/326860800.db2.gz HPHCRNWMYRUSFG-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2ccc(Br)o2)C1 ZINC000306273054 326863608 /nfs/dbraw/zinc/86/36/08/326863608.db2.gz ZKKKOBLFWXQOJX-NXEZZACHSA-N 0 1 272.186 3.520 20 0 CHADMN COC[C@H](NCc1cccc(C)c1C)c1ccc(F)cc1 ZINC000530729395 326888236 /nfs/dbraw/zinc/88/82/36/326888236.db2.gz AFAWMFMRXPHWJD-SFHVURJKSA-N 0 1 287.378 3.920 20 0 CHADMN CC(C)=CCN[C@H](C)c1cc(Br)ncc1F ZINC000276931999 326977103 /nfs/dbraw/zinc/97/71/03/326977103.db2.gz SHRUHICCBQZZKY-SECBINFHSA-N 0 1 287.176 3.600 20 0 CHADMN CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccc2c(n1)CCC2 ZINC000568723639 327011261 /nfs/dbraw/zinc/01/12/61/327011261.db2.gz XBRCXKDRBURAEG-CQSZACIVSA-N 0 1 298.352 3.733 20 0 CHADMN C[C@H](NCc1ccc2[nH]cnc2c1)c1ccc(F)cc1F ZINC000557822170 327029276 /nfs/dbraw/zinc/02/92/76/327029276.db2.gz OCXKAGUEDHIBMR-JTQLQIEISA-N 0 1 287.313 3.692 20 0 CHADMN C[C@H](NCc1ccc2nc[nH]c2c1)c1ccc(F)cc1F ZINC000557822170 327029277 /nfs/dbraw/zinc/02/92/77/327029277.db2.gz OCXKAGUEDHIBMR-JTQLQIEISA-N 0 1 287.313 3.692 20 0 CHADMN C[N@@H+](CCCCCC(=O)[O-])CCc1cccc2ccccc21 ZINC000584118823 327042885 /nfs/dbraw/zinc/04/28/85/327042885.db2.gz NAFMQVALHSWQOK-UHFFFAOYSA-N 0 1 299.414 3.959 20 0 CHADMN C[C@@H]1C[C@H]1[C@H](NCc1cnccn1)c1ccc(Cl)cc1 ZINC000584158485 327052700 /nfs/dbraw/zinc/05/27/00/327052700.db2.gz HUSNNQNZTJRBDW-HFBAOOFYSA-N 0 1 287.794 3.617 20 0 CHADMN C[N@H+](Cc1cc(F)c(C(F)(F)F)cc1F)CC1CC1 ZINC000558081551 327062767 /nfs/dbraw/zinc/06/27/67/327062767.db2.gz MBNHJMIAKCCYAL-UHFFFAOYSA-N 0 1 279.252 3.825 20 0 CHADMN CN(Cc1cc(F)c(C(F)(F)F)cc1F)CC1CC1 ZINC000558081551 327062768 /nfs/dbraw/zinc/06/27/68/327062768.db2.gz MBNHJMIAKCCYAL-UHFFFAOYSA-N 0 1 279.252 3.825 20 0 CHADMN C[C@H]1Oc2ccccc2[C@@H]1NCc1ccc(Cl)cc1 ZINC000558125600 327074969 /nfs/dbraw/zinc/07/49/69/327074969.db2.gz GKAXEHICNSGONR-BDJLRTHQSA-N 0 1 273.763 3.952 20 0 CHADMN CC[C@H](c1cccc(OC)c1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000558166508 327077299 /nfs/dbraw/zinc/07/72/99/327077299.db2.gz LRBMJQSCNMTKFS-IAGOWNOFSA-N 0 1 277.408 3.647 20 0 CHADMN C[C@@H](NCc1ccno1)c1ccc(F)c2ccccc21 ZINC000558170947 327077575 /nfs/dbraw/zinc/07/75/75/327077575.db2.gz ZXUOYZNQYJATGC-LLVKDONJSA-N 0 1 270.307 3.818 20 0 CHADMN C[C@@H](N(C)Cc1cc(C(C)(C)C)on1)C(C)(C)C ZINC000558457478 327095639 /nfs/dbraw/zinc/09/56/39/327095639.db2.gz QHVYJFDZIKJEAO-LLVKDONJSA-N 0 1 252.402 3.839 20 0 CHADMN CC(C)(C)OCc1cc(CN[C@@H]2CC[C@@H]2C(C)(C)C)no1 ZINC000558256463 327083211 /nfs/dbraw/zinc/08/32/11/327083211.db2.gz IVALIZLWSVYNSY-LSDHHAIUSA-N 0 1 294.439 3.904 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2C[C@H](C)n3ccnc32)s1 ZINC000345349396 327088999 /nfs/dbraw/zinc/08/89/99/327088999.db2.gz GJHZCUBOCQRANS-ZMLRMANQSA-N 0 1 261.394 3.610 20 0 CHADMN CCS[C@H]1CCCC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000558410136 327092037 /nfs/dbraw/zinc/09/20/37/327092037.db2.gz BOHVKSFZMJBFLQ-AWEZNQCLSA-N 0 1 284.856 3.843 20 0 CHADMN CCS[C@H]1CCCCN(Cc2ccc(Cl)cn2)C1 ZINC000558410136 327092038 /nfs/dbraw/zinc/09/20/38/327092038.db2.gz BOHVKSFZMJBFLQ-AWEZNQCLSA-N 0 1 284.856 3.843 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000558412415 327092172 /nfs/dbraw/zinc/09/21/72/327092172.db2.gz ZBYRXYUDHGEAIE-RCCFBDPRSA-N 0 1 295.467 3.639 20 0 CHADMN CCc1ccc(CN(C)[C@@H](C)c2cccnc2)s1 ZINC000558450756 327095203 /nfs/dbraw/zinc/09/52/03/327095203.db2.gz WCGSYDIWVVKVBP-LBPRGKRZSA-N 0 1 260.406 3.899 20 0 CHADMN CC1(C2CC2)CCN(Cc2ccc(Cl)o2)CC1 ZINC000558570471 327105994 /nfs/dbraw/zinc/10/59/94/327105994.db2.gz VZEHTWBVBHJLOI-UHFFFAOYSA-N 0 1 253.773 3.945 20 0 CHADMN C[C@@H](N[C@@H](CN(C)C)c1ccc(Cl)cc1)c1ccoc1 ZINC000558968003 327135558 /nfs/dbraw/zinc/13/55/58/327135558.db2.gz FWADXYAKDGNXDJ-WBMJQRKESA-N 0 1 292.810 3.887 20 0 CHADMN CC(C)(C)c1ccc(CN2CC[C@H](OC(F)F)C2)s1 ZINC000559097694 327141041 /nfs/dbraw/zinc/14/10/41/327141041.db2.gz MTUBCEDJSJBOTM-JTQLQIEISA-N 0 1 289.391 3.859 20 0 CHADMN CCc1cccc(Cl)c1CN1CC[C@H](OC(F)F)C1 ZINC000559097947 327141080 /nfs/dbraw/zinc/14/10/80/327141080.db2.gz QYEIRZUZIMXTGG-NSHDSACASA-N 0 1 289.753 3.716 20 0 CHADMN COc1cc(F)cc(CN[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000093899604 327146125 /nfs/dbraw/zinc/14/61/25/327146125.db2.gz WBBIFDCWOHNENH-SNVBAGLBSA-N 0 1 295.304 3.963 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](c2cccnc2)C1 ZINC000564919502 327147226 /nfs/dbraw/zinc/14/72/26/327147226.db2.gz CUHGJDFLUOLZIH-UKRRQHHQSA-N 0 1 299.418 3.918 20 0 CHADMN CCc1nocc1CNCc1ccc(C(C)(C)C)cc1 ZINC000559258230 327151515 /nfs/dbraw/zinc/15/15/15/327151515.db2.gz QYGJGTYQVOEDOO-UHFFFAOYSA-N 0 1 272.392 3.824 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN(C)CC(C)(C)C ZINC000559267330 327152338 /nfs/dbraw/zinc/15/23/38/327152338.db2.gz IVTIWUQNEKIAQZ-UHFFFAOYSA-N 0 1 282.815 3.565 20 0 CHADMN COc1ccc(CN[C@H]2CCc3sc(Cl)cc32)cn1 ZINC000129497729 327155949 /nfs/dbraw/zinc/15/59/49/327155949.db2.gz MZQOAORUHJEALP-NSHDSACASA-N 0 1 294.807 3.582 20 0 CHADMN CC[N@@H+](Cc1occc1C(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000569370439 327167616 /nfs/dbraw/zinc/16/76/16/327167616.db2.gz ANYINKCQKTZNKM-NSHDSACASA-N 0 1 291.322 3.700 20 0 CHADMN Cc1nc(CN[C@@H]2c3ccccc3CCC[C@H]2C)[nH]c1C ZINC000569379645 327169855 /nfs/dbraw/zinc/16/98/55/327169855.db2.gz LTKZKWHQQBWNKX-XIKOKIGWSA-N 0 1 283.419 3.830 20 0 CHADMN C[C@@H](NCCc1cc2ccccc2o1)c1nccs1 ZINC000090076594 327177048 /nfs/dbraw/zinc/17/70/48/327177048.db2.gz LUYYMEKLWWRPSA-LLVKDONJSA-N 0 1 272.373 3.783 20 0 CHADMN CC(C)[C@H]1CCC[C@@H](NCc2ncn(-c3ccccc3)n2)C1 ZINC000559357479 327187431 /nfs/dbraw/zinc/18/74/31/327187431.db2.gz AYFAPSWHYDBMJM-JKSUJKDBSA-N 0 1 298.434 3.572 20 0 CHADMN Cc1nc2c(s1)[C@@H](N(C)Cc1cccc(O)c1)CCC2 ZINC000093365141 327197490 /nfs/dbraw/zinc/19/74/90/327197490.db2.gz VQQBHSUZGPENFV-HNNXBMFYSA-N 0 1 288.416 3.667 20 0 CHADMN Cc1nc2c(s1)[C@@H](N(C)Cc1ccco1)CCC2 ZINC000093364829 327197642 /nfs/dbraw/zinc/19/76/42/327197642.db2.gz UUKLBZUXWQMVRK-ZDUSSCGKSA-N 0 1 262.378 3.554 20 0 CHADMN CC[C@H](NCc1cccnc1)c1cc(C)ccc1OC ZINC000093368534 327197905 /nfs/dbraw/zinc/19/79/05/327197905.db2.gz WFKGICSRWUJHLN-INIZCTEOSA-N 0 1 270.376 3.640 20 0 CHADMN CC[C@@H](C)[C@@H](CNCc1ncc(C(C)(C)C)s1)OC ZINC000449405111 327199849 /nfs/dbraw/zinc/19/98/49/327199849.db2.gz XHFDQEXPIREIQR-VXGBXAGGSA-N 0 1 284.469 3.591 20 0 CHADMN COc1cc(C)nc(CN(C)[C@H](C)c2ccc(C)cc2)c1 ZINC000533841579 327221544 /nfs/dbraw/zinc/22/15/44/327221544.db2.gz LQOWDDGEZWEIPX-OAHLLOKOSA-N 0 1 284.403 3.900 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])o2)CC12CCCCC2 ZINC000584296746 327227867 /nfs/dbraw/zinc/22/78/67/327227867.db2.gz HAJDUHDQULSLFQ-ZDUSSCGKSA-N 0 1 291.391 3.770 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1c(Cl)cccc1C(=O)[O-] ZINC000584297023 327228067 /nfs/dbraw/zinc/22/80/67/327228067.db2.gz RWOZKNAZNMLZCP-NSHDSACASA-N 0 1 281.783 3.803 20 0 CHADMN CCCCC[N@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000584303243 327231553 /nfs/dbraw/zinc/23/15/53/327231553.db2.gz KMLSSOXVESXRBD-HUUCEWRRSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)c1[nH]nc2ccccc21 ZINC000053374109 327235875 /nfs/dbraw/zinc/23/58/75/327235875.db2.gz KSSWMWJKNNHLQU-LLVKDONJSA-N 0 1 297.333 3.535 20 0 CHADMN Cc1cccc(-c2noc(CN3CC[C@@H](CC4CC4)C3)n2)c1 ZINC000559420247 327244764 /nfs/dbraw/zinc/24/47/64/327244764.db2.gz SBCGPURQVXGYLL-HNNXBMFYSA-N 0 1 297.402 3.667 20 0 CHADMN CC[C@H](N[C@H](C)c1cnn(CC)c1)c1ccccc1OC ZINC000044496987 327267392 /nfs/dbraw/zinc/26/73/92/327267392.db2.gz DTMXPOFUOFDMMC-CJNGLKHVSA-N 0 1 287.407 3.714 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)c1cnn(C)c1 ZINC000044497535 327267968 /nfs/dbraw/zinc/26/79/68/327267968.db2.gz OMIZWKIRDXINDH-QWRGUYRKSA-N 0 1 297.324 3.851 20 0 CHADMN CCc1oc2ccccc2c1C[N@@H+](C)CCOC(C)C ZINC000096982386 327275750 /nfs/dbraw/zinc/27/57/50/327275750.db2.gz GOPIMMZUKDDULX-UHFFFAOYSA-N 0 1 275.392 3.852 20 0 CHADMN CO[C@@H]1CCN(Cc2cscc2C(F)(F)F)C[C@H]1C ZINC000449492747 327276527 /nfs/dbraw/zinc/27/65/27/327276527.db2.gz CPUVMSFJFVALFF-BXKDBHETSA-N 0 1 293.354 3.624 20 0 CHADMN Cc1noc(C23CC(C2)CN3CC2CCC(C)(C)CC2)n1 ZINC000528616050 327288196 /nfs/dbraw/zinc/28/81/96/327288196.db2.gz GJLFUBZWTGNLHX-UHFFFAOYSA-N 0 1 289.423 3.515 20 0 CHADMN CCC1CC(NCc2coc(-c3ccccc3)n2)C1 ZINC000560244166 327292812 /nfs/dbraw/zinc/29/28/12/327292812.db2.gz KRPAPUFSEXXTGX-UHFFFAOYSA-N 0 1 256.349 3.620 20 0 CHADMN CCn1ccnc1[C@@H](C)NCc1cc2c(s1)CCCC2 ZINC000560343523 327301152 /nfs/dbraw/zinc/30/11/52/327301152.db2.gz AYXGBPKXWHEQRL-GFCCVEGCSA-N 0 1 289.448 3.694 20 0 CHADMN COc1ccc(CN2CCOC3(CCCCC3)C2)cc1C ZINC000560542884 327321920 /nfs/dbraw/zinc/32/19/20/327321920.db2.gz ARCWKLYERXEZJF-UHFFFAOYSA-N 0 1 289.419 3.539 20 0 CHADMN COc1cc(CN2C[C@H](C)[C@H]2c2ccccc2)cc(OC)c1 ZINC000560566005 327325301 /nfs/dbraw/zinc/32/53/01/327325301.db2.gz JLSXBVSHCQXJFD-LIRRHRJNSA-N 0 1 297.398 3.897 20 0 CHADMN CCc1nc(CN(C)CC2CCC(F)(F)CC2)cs1 ZINC000560583617 327327909 /nfs/dbraw/zinc/32/79/09/327327909.db2.gz RBYPNRFMDUZVMQ-UHFFFAOYSA-N 0 1 288.407 3.963 20 0 CHADMN Fc1cc(F)c(CN2CC[C@H](CC3CC3)C2)cc1F ZINC000560619508 327331048 /nfs/dbraw/zinc/33/10/48/327331048.db2.gz YFYHDOOEQLLBEV-LLVKDONJSA-N 0 1 269.310 3.726 20 0 CHADMN Cc1cc([C@H](C)[N@H+]2CC[C@@H](CC(C)C)C2)oc1C(=O)[O-] ZINC000566358616 327335328 /nfs/dbraw/zinc/33/53/28/327335328.db2.gz LAOZLUVTZCRNLQ-STQMWFEESA-N 0 1 279.380 3.715 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@H](c3ccccc3C)C2)oc1C(=O)[O-] ZINC000566358574 327335415 /nfs/dbraw/zinc/33/54/15/327335415.db2.gz JBQXKQKXMZCGRY-AWEZNQCLSA-N 0 1 299.370 3.584 20 0 CHADMN CC(C)C[C@H](C)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000560708950 327337640 /nfs/dbraw/zinc/33/76/40/327337640.db2.gz UDCSAHLIXZGIPH-BBRMVZONSA-N 0 1 265.372 3.634 20 0 CHADMN C[C@H]1CCCC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000566362813 327337929 /nfs/dbraw/zinc/33/79/29/327337929.db2.gz XFGPHEHNQHVGGZ-NSHDSACASA-N 0 1 281.783 3.660 20 0 CHADMN CC(C)C[C@H](C)[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000560729817 327339507 /nfs/dbraw/zinc/33/95/07/327339507.db2.gz PQQGNHWWWUEXEW-KCQAQPDRSA-N 0 1 267.438 3.945 20 0 CHADMN CC(C)C[C@H](C)N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000560729817 327339508 /nfs/dbraw/zinc/33/95/08/327339508.db2.gz PQQGNHWWWUEXEW-KCQAQPDRSA-N 0 1 267.438 3.945 20 0 CHADMN Fc1cccc(Br)c1CNCCc1ccco1 ZINC000353923752 327371763 /nfs/dbraw/zinc/37/17/63/327371763.db2.gz AJHNTZDJCWWNML-UHFFFAOYSA-N 0 1 298.155 3.514 20 0 CHADMN CC[C@@H](N[C@H]1CCC[C@H]1F)c1cc(F)ccc1F ZINC000561283546 327382296 /nfs/dbraw/zinc/38/22/96/327382296.db2.gz IVZDPEQDWRDDKS-MCIONIFRSA-N 0 1 257.299 3.896 20 0 CHADMN C[C@H](N[C@@H](c1nccn1C)c1ccccc1)[C@H]1CC1(C)C ZINC000561436541 327394872 /nfs/dbraw/zinc/39/48/72/327394872.db2.gz JOHKCNJNSJFAHM-NUEKZKHPSA-N 0 1 283.419 3.534 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@@H](C)c3cccc(C)c3)[nH]c2c1 ZINC000561501882 327399787 /nfs/dbraw/zinc/39/97/87/327399787.db2.gz QNIBRWSLTNRQNG-ZDUSSCGKSA-N 0 1 293.370 3.922 20 0 CHADMN OC[C@H](NCc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000561612366 327405025 /nfs/dbraw/zinc/40/50/25/327405025.db2.gz XUDCRRXAMRLKEV-IBGZPJMESA-N 0 1 295.357 3.802 20 0 CHADMN Cc1ncc(CN[C@H]2CCC(C)(C)c3ccccc32)o1 ZINC000335282559 327408064 /nfs/dbraw/zinc/40/80/64/327408064.db2.gz ZWLSTYXMVHKUKQ-INIZCTEOSA-N 0 1 270.376 3.885 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@H](C)c2cnc(C)cn2)c1 ZINC000427819299 327437667 /nfs/dbraw/zinc/43/76/67/327437667.db2.gz RTQKTTJEOSMIDE-ZIAGYGMSSA-N 0 1 285.391 3.596 20 0 CHADMN COc1ccccc1[C@H](C)NCc1ccsc1C ZINC000294195999 327513309 /nfs/dbraw/zinc/51/33/09/327513309.db2.gz RFPGZODEFYZSEA-NSHDSACASA-N 0 1 261.390 3.916 20 0 CHADMN COc1cccc(F)c1[C@@H](C)NC[C@H](C)C(F)(F)F ZINC000569834622 327551186 /nfs/dbraw/zinc/55/11/86/327551186.db2.gz APBQTFHLQZPQIR-DTWKUNHWSA-N 0 1 279.277 3.683 20 0 CHADMN CC(C)C[C@@H](C)CNCc1ncc(-c2ccccc2)cn1 ZINC000570485322 327595219 /nfs/dbraw/zinc/59/52/19/327595219.db2.gz XBCUARBTFADTTG-OAHLLOKOSA-N 0 1 283.419 3.915 20 0 CHADMN CC(C)OC1CCN(Cc2ccc(Cl)s2)CC1 ZINC000535796949 328636150 /nfs/dbraw/zinc/63/61/50/328636150.db2.gz FRGRDTQPPBXAAF-UHFFFAOYSA-N 0 1 273.829 3.791 20 0 CHADMN Fc1cccc(F)c1CN[C@H]1CCCC(F)(F)C1 ZINC000532270267 328710720 /nfs/dbraw/zinc/71/07/20/328710720.db2.gz YMJYKBJULJBXSY-VIFPVBQESA-N 0 1 261.262 3.632 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cccc3cc[nH]c31)CO2 ZINC000532427574 328777141 /nfs/dbraw/zinc/77/71/41/328777141.db2.gz CJFKQTOFCGIUCG-INIZCTEOSA-N 0 1 278.355 3.700 20 0 CHADMN COC(=O)c1cnc([C@H](C)NC2CCC(C)(C)CC2)s1 ZINC000314788802 328844116 /nfs/dbraw/zinc/84/41/16/328844116.db2.gz JTCBRUKFAUENDD-JTQLQIEISA-N 0 1 296.436 3.549 20 0 CHADMN C[C@H](N[C@H]1CCC[C@@H](C(F)(F)F)C1)C(C)(F)F ZINC000389458914 328847283 /nfs/dbraw/zinc/84/72/83/328847283.db2.gz DBZRNWBDDCPOLI-YIZRAAEISA-N 0 1 259.262 3.741 20 0 CHADMN Cc1nc([C@H](C)NCCOc2cc(C)cc(C)c2)cs1 ZINC000358015584 328880821 /nfs/dbraw/zinc/88/08/21/328880821.db2.gz DZUHUHNRZSARQG-ZDUSSCGKSA-N 0 1 290.432 3.798 20 0 CHADMN Cc1ccsc1[C@H](CO)N[C@@H](C)c1ccsc1 ZINC000358378378 328883022 /nfs/dbraw/zinc/88/30/22/328883022.db2.gz KAKACFZTWPPSLW-JQWIXIFHSA-N 0 1 267.419 3.502 20 0 CHADMN CCC1(C)CCN(Cc2ccc(F)cc2C(=O)OC)CC1 ZINC000507910149 332829521 /nfs/dbraw/zinc/82/95/21/332829521.db2.gz VKZKRLZTXIHEAL-UHFFFAOYSA-N 0 1 293.382 3.624 20 0 CHADMN CCC[C@@H](O)CN[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000361400828 328923721 /nfs/dbraw/zinc/92/37/21/328923721.db2.gz SGAKFQVASBQELJ-GXTWGEPZSA-N 0 1 290.432 3.622 20 0 CHADMN Cc1cc(CN[C@@H](c2cccnc2)C2CCCCC2)on1 ZINC000363077960 328931320 /nfs/dbraw/zinc/93/13/20/328931320.db2.gz DMHYUBGZPLINJB-QGZVFWFLSA-N 0 1 285.391 3.789 20 0 CHADMN CO[C@@H]1CCCN(c2cc(C)nc3ccc(F)cc32)CC1 ZINC000371737000 328958344 /nfs/dbraw/zinc/95/83/44/328958344.db2.gz QMLWDORQIDGWMI-CQSZACIVSA-N 0 1 288.366 3.688 20 0 CHADMN Cc1nnc(CNC2CC(c3ccccc3Cl)C2)s1 ZINC000391865092 328981361 /nfs/dbraw/zinc/98/13/61/328981361.db2.gz SVRGOAYXBKXMEI-UHFFFAOYSA-N 0 1 293.823 3.536 20 0 CHADMN Cc1ccccc1CN1CCC[C@@H]1c1nccs1 ZINC000377503000 329016959 /nfs/dbraw/zinc/01/69/59/329016959.db2.gz PXRRTPFCLRRNKY-CQSZACIVSA-N 0 1 258.390 3.789 20 0 CHADMN CC(C)n1cc(CN2CCC[C@@H](c3ccccc3)CC2)nn1 ZINC000377629889 329021917 /nfs/dbraw/zinc/02/19/17/329021917.db2.gz TVLNOJCRKTWDOV-QGZVFWFLSA-N 0 1 298.434 3.629 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)N2C[C@H]3CCCC[C@H]32)n1 ZINC000377782733 329029158 /nfs/dbraw/zinc/02/91/58/329029158.db2.gz UJFHGRMGIKVVPQ-IIAWOOMASA-N 0 1 297.402 3.980 20 0 CHADMN Fc1ccc(CN2CCC(c3ccccn3)CC2)cc1F ZINC000378266470 329044482 /nfs/dbraw/zinc/04/44/82/329044482.db2.gz XIYZAOBERSQBMQ-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1ccsc1C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000378527757 329054152 /nfs/dbraw/zinc/05/41/52/329054152.db2.gz WXDHLYCPWFUZOO-UHFFFAOYSA-N 0 1 298.411 3.787 20 0 CHADMN Cc1ccc([C@H]2CCN([C@H](C)c3nc(C4CC4)no3)C2)cc1 ZINC000378650296 329058242 /nfs/dbraw/zinc/05/82/42/329058242.db2.gz LXEIYBSMECJCQA-CJNGLKHVSA-N 0 1 297.402 3.806 20 0 CHADMN Fc1cccc(Cl)c1CSCc1n[nH]c(C2CC2)n1 ZINC000193560697 329059506 /nfs/dbraw/zinc/05/95/06/329059506.db2.gz SRFCEKJPXAOUBC-UHFFFAOYSA-N 0 1 297.786 3.908 20 0 CHADMN CSC1(CN[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000193829846 329061819 /nfs/dbraw/zinc/06/18/19/329061819.db2.gz RLFIQJLSAWTPPV-MRXNPFEDSA-N 0 1 284.428 3.656 20 0 CHADMN Cc1cccc(CNCc2nc(-c3ccccc3)c[nH]2)c1 ZINC000194230292 329072870 /nfs/dbraw/zinc/07/28/70/329072870.db2.gz XNFXJLYAGLOFQJ-UHFFFAOYSA-N 0 1 277.371 3.675 20 0 CHADMN CCCN(Cc1nc2c(cccc2F)n1CC)C1CC1 ZINC000171678196 329075301 /nfs/dbraw/zinc/07/53/01/329075301.db2.gz YNCWFPOXKLEGDH-UHFFFAOYSA-N 0 1 275.371 3.570 20 0 CHADMN C[C@@H](NCc1cnc[nH]1)c1cccc(Cl)c1Cl ZINC000172216335 329083850 /nfs/dbraw/zinc/08/38/50/329083850.db2.gz MXLKLBTZUNOVOY-MRVPVSSYSA-N 0 1 270.163 3.567 20 0 CHADMN c1cn2cc(CN3CCC[C@@]4(CC=CCC4)C3)nc2s1 ZINC000172282962 329084466 /nfs/dbraw/zinc/08/44/66/329084466.db2.gz PDKBZPCVLZXOKO-INIZCTEOSA-N 0 1 287.432 3.718 20 0 CHADMN C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)c1ccncc1 ZINC000020121122 329087022 /nfs/dbraw/zinc/08/70/22/329087022.db2.gz JTUYBCHNCLXECX-XUJVJEKNSA-N 0 1 256.349 3.649 20 0 CHADMN Cc1cc(C[N@@H+]([C@H](C)c2ccco2)C2CC2)oc1C(=O)[O-] ZINC000582612257 329114762 /nfs/dbraw/zinc/11/47/62/329114762.db2.gz RRCOVZHPBOKVDY-LLVKDONJSA-N 0 1 289.331 3.605 20 0 CHADMN Cc1cc(C[N@H+]([C@H](C)c2ccco2)C2CC2)oc1C(=O)[O-] ZINC000582612257 329114764 /nfs/dbraw/zinc/11/47/64/329114764.db2.gz RRCOVZHPBOKVDY-LLVKDONJSA-N 0 1 289.331 3.605 20 0 CHADMN CC[C@@H](Cc1ccccc1)[N@@H+](CC)CC1(CC(=O)[O-])CC1 ZINC000582671864 329123022 /nfs/dbraw/zinc/12/30/22/329123022.db2.gz WZHNZKRUVRBSDB-INIZCTEOSA-N 0 1 289.419 3.585 20 0 CHADMN CC(=O)Nc1ccccc1CN(C)Cc1cc(C)cc(C)c1 ZINC000582719097 329129903 /nfs/dbraw/zinc/12/99/03/329129903.db2.gz BNCQPLDDDACDME-UHFFFAOYSA-N 0 1 296.414 3.894 20 0 CHADMN CC[C@H]1c2ccsc2CC[N@@H+]1Cc1occc1C(=O)[O-] ZINC000582729792 329132018 /nfs/dbraw/zinc/13/20/18/329132018.db2.gz HGVXWHQILHKAEL-LBPRGKRZSA-N 0 1 291.372 3.549 20 0 CHADMN C[C@H]1CSCCN1Cc1cc(Cl)cc2cccnc21 ZINC000172588005 329137429 /nfs/dbraw/zinc/13/74/29/329137429.db2.gz DXUJBABITVQSSG-NSHDSACASA-N 0 1 292.835 3.826 20 0 CHADMN CC1CCC(N(Cc2cscn2)C[C@@H]2CCCO2)CC1 ZINC000173865393 329153041 /nfs/dbraw/zinc/15/30/41/329153041.db2.gz UKZFNKPCGVUMET-BCLQGDPASA-N 0 1 294.464 3.703 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2F)N(Cc2ccccn2)C1 ZINC000174041813 329153742 /nfs/dbraw/zinc/15/37/42/329153742.db2.gz STKOSUSAKXWLBR-GUYCJALGSA-N 0 1 270.351 3.804 20 0 CHADMN c1ccc(-c2nnc(CN3CCC4(CCCC4)C3)o2)cc1 ZINC000174264442 329155999 /nfs/dbraw/zinc/15/59/99/329155999.db2.gz HCYIIURKPHBYPP-UHFFFAOYSA-N 0 1 283.375 3.503 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2nccn2C(C)C)C1 ZINC000174001618 329156774 /nfs/dbraw/zinc/15/67/74/329156774.db2.gz MDGTYHDQONPTGJ-INIZCTEOSA-N 0 1 263.429 3.866 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1cc(-c2ccco2)on1 ZINC000174026824 329157226 /nfs/dbraw/zinc/15/72/26/329157226.db2.gz FODFPDYIARKKIM-GFCCVEGCSA-N 0 1 294.420 3.898 20 0 CHADMN CCCN(Cc1nc([C@@H](C)OC)no1)CC1CCCCC1 ZINC000175118792 329163196 /nfs/dbraw/zinc/16/31/96/329163196.db2.gz ZQRGWTFPXJJCJC-CYBMUJFWSA-N 0 1 295.427 3.569 20 0 CHADMN CO[C@H](C)c1nc(CN2C[C@@H](C)CCC[C@@H]2C)cs1 ZINC000175262213 329167041 /nfs/dbraw/zinc/16/70/41/329167041.db2.gz QKWRFFNTEVFJLK-RWMBFGLXSA-N 0 1 282.453 3.861 20 0 CHADMN CC[C@H](C)CN(CC)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000176625435 329177343 /nfs/dbraw/zinc/17/73/43/329177343.db2.gz QPDOCDLFIALPHS-NSHDSACASA-N 0 1 291.420 3.646 20 0 CHADMN CSc1ccc(CN2CCc3ccccc3[C@H]2CO)cc1 ZINC000177829870 329192747 /nfs/dbraw/zinc/19/27/47/329192747.db2.gz AHEQIXFHAVIUOZ-GOSISDBHSA-N 0 1 299.439 3.500 20 0 CHADMN CC[C@H](N[C@H](C)c1cn(C)nc1C)c1cc(F)ccc1F ZINC000178717092 329200031 /nfs/dbraw/zinc/20/00/31/329200031.db2.gz OUVFUYSFNJZJSL-HWPZZCPQSA-N 0 1 293.361 3.809 20 0 CHADMN CC(C)n1cc(CN2CCCCC[C@H]2c2ccncc2)cn1 ZINC000179497454 329209066 /nfs/dbraw/zinc/20/90/66/329209066.db2.gz HXVUPNSJABLJRV-SFHVURJKSA-N 0 1 298.434 3.976 20 0 CHADMN Cc1ncccc1CN1CCC[C@H]1c1cccc(F)c1 ZINC000180155620 329217981 /nfs/dbraw/zinc/21/79/81/329217981.db2.gz NQCVYCRCGONUIP-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3ccc(Cl)s3)ccc12 ZINC000180328790 329219522 /nfs/dbraw/zinc/21/95/22/329219522.db2.gz LKOQNACRKLUPBU-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN Cc1cnc(C[N@@H+](C)CCc2ccc(Cl)cc2)s1 ZINC000180494694 329219898 /nfs/dbraw/zinc/21/98/98/329219898.db2.gz IHMCVWFWNBTTBD-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN Cc1cnc(CN(C)CCc2ccc(Cl)cc2)s1 ZINC000180494694 329219900 /nfs/dbraw/zinc/21/99/00/329219900.db2.gz IHMCVWFWNBTTBD-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN C[C@H](N[C@H]1CCCOc2c(F)cccc21)c1cccnc1 ZINC000181326190 329231613 /nfs/dbraw/zinc/23/16/13/329231613.db2.gz QHSGBVZXAYKNEA-LRDDRELGSA-N 0 1 286.350 3.785 20 0 CHADMN C[C@@H]1CCC[C@H](C)N(Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000181377409 329232139 /nfs/dbraw/zinc/23/21/39/329232139.db2.gz PFOIGBJKPWKRDI-OLZOCXBDSA-N 0 1 288.439 3.501 20 0 CHADMN CC[C@H]1CCCCCN1Cc1nnc(C2CC2)n1C1CC1 ZINC000181369025 329232306 /nfs/dbraw/zinc/23/23/06/329232306.db2.gz LOBURUPUDJRSMD-AWEZNQCLSA-N 0 1 288.439 3.645 20 0 CHADMN CC[C@@H](NCc1cncc(C)c1)c1ccccc1OC ZINC000181840750 329237786 /nfs/dbraw/zinc/23/77/86/329237786.db2.gz UDTZRBCCXIPYML-MRXNPFEDSA-N 0 1 270.376 3.640 20 0 CHADMN CCCCOc1ccc(CN(C)Cc2ccncc2)cc1 ZINC000183749439 329249986 /nfs/dbraw/zinc/24/99/86/329249986.db2.gz IEXMLKPUNGRCFF-UHFFFAOYSA-N 0 1 284.403 3.893 20 0 CHADMN CC(C)(C)[C@H](CCO)NCc1csc(C2CCCC2)n1 ZINC000183675470 329251805 /nfs/dbraw/zinc/25/18/05/329251805.db2.gz CUHSSPGWTPOLCZ-AWEZNQCLSA-N 0 1 296.480 3.687 20 0 CHADMN CCCC[C@@H]1CCC[C@@H]1NCc1nc([C@@H](C)OCC)no1 ZINC000184706137 329262346 /nfs/dbraw/zinc/26/23/46/329262346.db2.gz NWLMFEKTFPZABM-MCIONIFRSA-N 0 1 295.427 3.616 20 0 CHADMN CC(C)O[C@@H]1C[C@H](NCc2nc(C3CC3)cs2)C1(C)C ZINC000185245654 329269407 /nfs/dbraw/zinc/26/94/07/329269407.db2.gz YCRHRYROVQGLGT-UONOGXRCSA-N 0 1 294.464 3.702 20 0 CHADMN C[N@@H+](CCC(=O)[O-])[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000582856181 329281264 /nfs/dbraw/zinc/28/12/64/329281264.db2.gz DESBVKALSOCWQV-MRXNPFEDSA-N 0 1 295.810 3.978 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000582971171 329296355 /nfs/dbraw/zinc/29/63/55/329296355.db2.gz UMNVXPICLZLQRI-XVJNWHFHSA-N 0 1 297.354 3.656 20 0 CHADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1Cl ZINC000582970298 329296381 /nfs/dbraw/zinc/29/63/81/329296381.db2.gz MLJZPOYBIHMAER-WDEREUQCSA-N 0 1 281.783 3.659 20 0 CHADMN CC[C@H](NCc1ccc2c(n1)CCC2)c1ccc(OC)cc1 ZINC000583129422 329316604 /nfs/dbraw/zinc/31/66/04/329316604.db2.gz GGDCKRVQBWNMAN-SFHVURJKSA-N 0 1 296.414 3.820 20 0 CHADMN CC[N@@H+](Cc1nc(-c2ccc(C)cc2)no1)CC(C)(C)C ZINC000583177806 329340517 /nfs/dbraw/zinc/34/05/17/329340517.db2.gz AKKXYVDJFRKBLG-UHFFFAOYSA-N 0 1 287.407 3.913 20 0 CHADMN CCN(Cc1nc(-c2ccc(C)cc2)no1)CC(C)(C)C ZINC000583177806 329340519 /nfs/dbraw/zinc/34/05/19/329340519.db2.gz AKKXYVDJFRKBLG-UHFFFAOYSA-N 0 1 287.407 3.913 20 0 CHADMN CCC1(CC)CCN(Cc2nccn2C(C)C)CC1 ZINC000186558851 329345472 /nfs/dbraw/zinc/34/54/72/329345472.db2.gz WJQLGYJUGKVXIE-UHFFFAOYSA-N 0 1 263.429 3.866 20 0 CHADMN Cc1ccc(CNCc2cc(F)c(F)c(F)c2)s1 ZINC000062708715 329345721 /nfs/dbraw/zinc/34/57/21/329345721.db2.gz OZUVMFCHHFSSSE-UHFFFAOYSA-N 0 1 271.307 3.764 20 0 CHADMN CC[C@H](CN(CC)Cc1nnc(C2CC2)[nH]1)c1ccccc1 ZINC000186626020 329346760 /nfs/dbraw/zinc/34/67/60/329346760.db2.gz AFHJNMKFWOLPEV-CQSZACIVSA-N 0 1 298.434 3.698 20 0 CHADMN c1cc(C2CCN(Cc3cnc4ccccn34)CC2)cs1 ZINC000186947334 329350497 /nfs/dbraw/zinc/35/04/97/329350497.db2.gz DZFAHBZAXOUPFJ-UHFFFAOYSA-N 0 1 297.427 3.775 20 0 CHADMN Fc1cccc(-c2nc(CN3CCCC4(CC4)C3)co2)c1 ZINC000186994037 329352817 /nfs/dbraw/zinc/35/28/17/329352817.db2.gz QVBVVZDTPLCDGB-UHFFFAOYSA-N 0 1 286.350 3.857 20 0 CHADMN CCCc1cccc(CN(C)Cc2ccncc2)c1 ZINC000187377357 329356997 /nfs/dbraw/zinc/35/69/97/329356997.db2.gz OMZVHIHFRFTMJI-UHFFFAOYSA-N 0 1 254.377 3.666 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)NCc2ccc(C)nc2C)c1 ZINC000187412863 329357476 /nfs/dbraw/zinc/35/74/76/329357476.db2.gz VJHMJGHZSBNHBV-ZDUSSCGKSA-N 0 1 297.402 3.508 20 0 CHADMN Cc1occc1CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000321544407 329372157 /nfs/dbraw/zinc/37/21/57/329372157.db2.gz RCOQIDROFDEWKQ-VIFPVBQESA-N 0 1 251.276 3.717 20 0 CHADMN C[C@H](NCc1cncc(F)c1)c1cccc(Cl)c1 ZINC000230938019 329372454 /nfs/dbraw/zinc/37/24/54/329372454.db2.gz VQAIBTNBEWOTRT-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000188940099 329375817 /nfs/dbraw/zinc/37/58/17/329375817.db2.gz WBDULHXZPYIQHV-UHFFFAOYSA-N 0 1 281.718 3.578 20 0 CHADMN Cc1cncc([C@@H](C)N[C@@H]2CCOc3c(C)cccc32)c1 ZINC000189374086 329380351 /nfs/dbraw/zinc/38/03/51/329380351.db2.gz JFKVXUPRSZDURC-RHSMWYFYSA-N 0 1 282.387 3.873 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN(C)C1CC(C)(C)C1 ZINC000459746777 329380672 /nfs/dbraw/zinc/38/06/72/329380672.db2.gz UZAPVCBMKSECAB-UHFFFAOYSA-N 0 1 294.826 3.707 20 0 CHADMN CCCCNC(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000532909235 329398661 /nfs/dbraw/zinc/39/86/61/329398661.db2.gz WJWWBMYMOZBLRG-HNNXBMFYSA-N 0 1 298.430 3.576 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccco2)c2ccccc2n1 ZINC000124940886 329575338 /nfs/dbraw/zinc/57/53/38/329575338.db2.gz QKLWPNYTGWDVSM-LBPRGKRZSA-N 0 1 282.343 3.687 20 0 CHADMN CC(C)OCCNCc1c(Cl)cccc1Cl ZINC000134117407 329657179 /nfs/dbraw/zinc/65/71/79/329657179.db2.gz GWYFZZVCVSCAEJ-UHFFFAOYSA-N 0 1 262.180 3.508 20 0 CHADMN CC(C)[C@H](CC(F)(F)F)N[C@@H](C)c1cscn1 ZINC000527100129 329694364 /nfs/dbraw/zinc/69/43/64/329694364.db2.gz VHGAUUTWBWCHLH-IUCAKERBSA-N 0 1 266.332 3.771 20 0 CHADMN CCC1CCC(c2noc(C34CCCN3CCC4)n2)CC1 ZINC000420487680 329767784 /nfs/dbraw/zinc/76/77/84/329767784.db2.gz STMYQPSXGGTDKW-UHFFFAOYSA-N 0 1 289.423 3.838 20 0 CHADMN COc1ccc(OC)c(CNCc2cccc(C3CC3)c2)c1 ZINC000421336281 329813398 /nfs/dbraw/zinc/81/33/98/329813398.db2.gz VXNOLYXNWDLRFB-UHFFFAOYSA-N 0 1 297.398 3.871 20 0 CHADMN Cc1cc(CNCc2cc(F)cc(Cl)c2)cc(C)n1 ZINC000421369861 329824169 /nfs/dbraw/zinc/82/41/69/329824169.db2.gz CKWSQOKUZNZMHQ-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN C[C@@H](N[C@H]1CCCC12CCC2)c1nc(C(C)(C)C)no1 ZINC000571748165 329919580 /nfs/dbraw/zinc/91/95/80/329919580.db2.gz AAYOBVNYKWMFCT-NEPJUHHUSA-N 0 1 277.412 3.741 20 0 CHADMN Cc1nc(CNC2(Cc3cccc(Cl)c3)CC2)[nH]c1C ZINC000571896551 329928838 /nfs/dbraw/zinc/92/88/38/329928838.db2.gz FMITUEHIQMJECN-UHFFFAOYSA-N 0 1 289.810 3.545 20 0 CHADMN CCC(C)(C)CC[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000262466565 330015075 /nfs/dbraw/zinc/01/50/75/330015075.db2.gz GIFPMEBGGROZQX-IHRRRGAJSA-N 0 1 267.413 3.530 20 0 CHADMN CC(C)c1ccc(CC[N@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC000263349366 330052627 /nfs/dbraw/zinc/05/26/27/330052627.db2.gz PJSSBTNNWUKOND-PBHICJAKSA-N 0 1 289.419 3.538 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccccc2)s1 ZINC000263391140 330053867 /nfs/dbraw/zinc/05/38/67/330053867.db2.gz FFHGRJIGLAAKLD-UHFFFAOYSA-N 0 1 289.400 3.712 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc(C)cc2)o1 ZINC000263394991 330053898 /nfs/dbraw/zinc/05/38/98/330053898.db2.gz GGXVQHCKEXJDTK-UHFFFAOYSA-N 0 1 287.359 3.552 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)CC1(c2ccccc2)CC1 ZINC000263408377 330054552 /nfs/dbraw/zinc/05/45/52/330054552.db2.gz KNIZABISFDQNAV-UHFFFAOYSA-N 0 1 295.382 3.548 20 0 CHADMN C[C@H](C(=O)[O-])[N@H+](C)C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000263451689 330056551 /nfs/dbraw/zinc/05/65/51/330056551.db2.gz ZXEGRTGXQIDSQS-UONOGXRCSA-N 0 1 291.435 3.568 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000263490626 330057754 /nfs/dbraw/zinc/05/77/54/330057754.db2.gz ILBXARWLMOXZGW-ICUGJSFKSA-N 0 1 299.414 3.508 20 0 CHADMN C[C@H](c1cccc(F)c1)N1CCC(F)(F)[C@H](C)C1 ZINC000572412235 330067343 /nfs/dbraw/zinc/06/73/43/330067343.db2.gz XKQXJLZXFMIGSA-GHMZBOCLSA-N 0 1 257.299 3.864 20 0 CHADMN Cc1cccc(OCCN[C@H](C)c2ccncc2Cl)c1 ZINC000421827141 330083829 /nfs/dbraw/zinc/08/38/29/330083829.db2.gz WMSKPCGIUOYTNG-CYBMUJFWSA-N 0 1 290.794 3.773 20 0 CHADMN C[C@H]1CCC[C@@H](C[NH2+]Cc2c(F)ccc([O-])c2F)C1 ZINC000510125400 332893657 /nfs/dbraw/zinc/89/36/57/332893657.db2.gz XUHJNRUZEFYMQK-WDEREUQCSA-N 0 1 269.335 3.586 20 0 CHADMN C[C@H](NCCOCc1ccccc1)c1ccncc1Cl ZINC000421832446 330091203 /nfs/dbraw/zinc/09/12/03/330091203.db2.gz MOURYDLEHJEMHT-ZDUSSCGKSA-N 0 1 290.794 3.602 20 0 CHADMN C[C@@H](N[C@@H](c1cccnc1)C1CC1)c1ccncc1Cl ZINC000421833855 330091408 /nfs/dbraw/zinc/09/14/08/330091408.db2.gz JQUXNMVLVFQYDC-BDJLRTHQSA-N 0 1 287.794 3.932 20 0 CHADMN C[C@H](Cc1ccc(F)cc1Cl)N[C@@H](C)c1ccon1 ZINC000421843658 330094191 /nfs/dbraw/zinc/09/41/91/330094191.db2.gz RCAWBJQJZHERFJ-ZJUUUORDSA-N 0 1 282.746 3.749 20 0 CHADMN COc1cc(Cl)ccc1[C@H](C)N[C@H]1C[C@@H]1C(F)F ZINC000421862475 330098509 /nfs/dbraw/zinc/09/85/09/330098509.db2.gz XETMHPCBELHJAO-SWPVVBRQSA-N 0 1 275.726 3.653 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cc(C)nc(C)c2)o1 ZINC000421884030 330102797 /nfs/dbraw/zinc/10/27/97/330102797.db2.gz QPOIJSLLCFTPRR-CYBMUJFWSA-N 0 1 258.365 3.705 20 0 CHADMN [O-]c1cccc(C[NH2+]CC2=CCCCC2)c1Cl ZINC000379584922 330139330 /nfs/dbraw/zinc/13/93/30/330139330.db2.gz WTWAJQAQYROQBU-UHFFFAOYSA-N 0 1 251.757 3.636 20 0 CHADMN C[C@H](C1CCCCC1)N(C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000433198991 330207626 /nfs/dbraw/zinc/20/76/26/330207626.db2.gz ARUFGLHIZGEHOG-GFCCVEGCSA-N 0 1 278.444 3.503 20 0 CHADMN Cn1ccnc1[C@H](NCCC(C)(C)C)c1ccccc1 ZINC000527116032 330222910 /nfs/dbraw/zinc/22/29/10/330222910.db2.gz DYTKMWXLMNXTBL-OAHLLOKOSA-N 0 1 271.408 3.535 20 0 CHADMN Cc1cc(C)c(CNCc2cnc(C(C)(C)C)s2)cn1 ZINC000396987181 330234349 /nfs/dbraw/zinc/23/43/49/330234349.db2.gz ANVZKGUICZOSPV-UHFFFAOYSA-N 0 1 289.448 3.742 20 0 CHADMN Cc1ccccc1Cc1noc([C@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000527203313 330235346 /nfs/dbraw/zinc/23/53/46/330235346.db2.gz FLDAEKKNAJDDJR-ZNMIVQPWSA-N 0 1 299.418 3.903 20 0 CHADMN CCN(Cc1cccc(Br)c1)CC1(F)CC1 ZINC000527218818 330238297 /nfs/dbraw/zinc/23/82/97/330238297.db2.gz SMLHDDFZLGNBMG-UHFFFAOYSA-N 0 1 286.188 3.773 20 0 CHADMN FC1(CN2CC=C(c3c[nH]c4ccccc34)CC2)CC1 ZINC000527232297 330239332 /nfs/dbraw/zinc/23/93/32/330239332.db2.gz LEGGSAZATBQWDD-UHFFFAOYSA-N 0 1 270.351 3.759 20 0 CHADMN CCCOc1ccc(CN[C@@H](C)c2ccco2)cc1 ZINC000035137019 330242691 /nfs/dbraw/zinc/24/26/91/330242691.db2.gz CKWQOQRZUHLFIZ-ZDUSSCGKSA-N 0 1 259.349 3.919 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)NCc1cccnc1 ZINC000036325377 330254134 /nfs/dbraw/zinc/25/41/34/330254134.db2.gz MZVNQKSUVOBOQN-AWEZNQCLSA-N 0 1 270.376 3.720 20 0 CHADMN CCc1oc2ccccc2c1CN(C)CC1(F)CC1 ZINC000527510057 330254811 /nfs/dbraw/zinc/25/48/11/330254811.db2.gz DXVYKUXDJGAXJJ-UHFFFAOYSA-N 0 1 261.340 3.929 20 0 CHADMN Cc1cc(CN[C@@H](c2ncccc2C)C(C)C)ccn1 ZINC000527537269 330263812 /nfs/dbraw/zinc/26/38/12/330263812.db2.gz ABJMFWBRQXTAFG-MRXNPFEDSA-N 0 1 269.392 3.580 20 0 CHADMN CC(C)n1cncc1CNC(C)(C)c1cccc(F)c1 ZINC000424138046 330275034 /nfs/dbraw/zinc/27/50/34/330275034.db2.gz CUXNFDFGCIBZJX-UHFFFAOYSA-N 0 1 275.371 3.628 20 0 CHADMN C[C@H](NCc1ncc(-c2ccccc2)cn1)[C@@H]1C[C@H]1C1CC1 ZINC000527689926 330278987 /nfs/dbraw/zinc/27/89/87/330278987.db2.gz BVYHWUNRACHRGA-KKXDTOCCSA-N 0 1 293.414 3.668 20 0 CHADMN CC1(C)OC[C@H]2C[C@]21NCc1cc(Cl)sc1Cl ZINC000527766307 330281733 /nfs/dbraw/zinc/28/17/33/330281733.db2.gz ZDUYAEWVVHMJQR-PELKAZGASA-N 0 1 292.231 3.712 20 0 CHADMN C[C@@H](N[C@@H](c1ccccn1)C1CCC1)c1cncc(F)c1 ZINC000527772502 330282017 /nfs/dbraw/zinc/28/20/17/330282017.db2.gz OOKQJEAEZSUCFE-SJKOYZFVSA-N 0 1 285.366 3.808 20 0 CHADMN Fc1ccccc1CN[C@H](c1ccccn1)C1CCC1 ZINC000527774361 330282311 /nfs/dbraw/zinc/28/23/11/330282311.db2.gz SMJWIAICEQBGHR-KRWDZBQOSA-N 0 1 270.351 3.852 20 0 CHADMN COc1ccc(C(C)(C)NCc2cccc(O)c2)cc1F ZINC000527781636 330283105 /nfs/dbraw/zinc/28/31/05/330283105.db2.gz MXUVLRPTZZOAQV-UHFFFAOYSA-N 0 1 289.350 3.565 20 0 CHADMN C[C@H]1CC(F)(F)CCN1CCCC(=O)c1ccc(F)cc1 ZINC000528775111 330287188 /nfs/dbraw/zinc/28/71/88/330287188.db2.gz WWDCXESYRCPTMU-LBPRGKRZSA-N 0 1 299.336 3.908 20 0 CHADMN CC[C@H](NCc1cccnc1OC)c1cc(C)ccc1C ZINC000527846375 330287697 /nfs/dbraw/zinc/28/76/97/330287697.db2.gz FQGQJGQKTLVPGX-KRWDZBQOSA-N 0 1 284.403 3.948 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2cncn2C(C)C)c1 ZINC000424143898 330288024 /nfs/dbraw/zinc/28/80/24/330288024.db2.gz GUAAKSGQGZUOKR-CQSZACIVSA-N 0 1 287.407 3.714 20 0 CHADMN CC[C@H](C)c1ccc([C@H](C)NCc2ccnn2C)cc1 ZINC000527849344 330288154 /nfs/dbraw/zinc/28/81/54/330288154.db2.gz NHPQNXOSHBYNHH-KBPBESRZSA-N 0 1 271.408 3.784 20 0 CHADMN CC(C)c1cccc([C@H](C)NCc2n[nH]c(C3CC3)n2)c1 ZINC000527904711 330289771 /nfs/dbraw/zinc/28/97/71/330289771.db2.gz PUVPOCVMMGRQRX-LBPRGKRZSA-N 0 1 284.407 3.656 20 0 CHADMN Cc1ccc(C(=O)CCN2CCC(F)(F)C[C@H]2C)cc1 ZINC000528775797 330292870 /nfs/dbraw/zinc/29/28/70/330292870.db2.gz ZLQSPGULHWGYJM-CYBMUJFWSA-N 0 1 281.346 3.687 20 0 CHADMN COc1ccncc1CN[C@H](c1cccc(C)c1)C(C)C ZINC000527902270 330293674 /nfs/dbraw/zinc/29/36/74/330293674.db2.gz NITHNPKACKQVEB-SFHVURJKSA-N 0 1 284.403 3.886 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)no1 ZINC000527940676 330293896 /nfs/dbraw/zinc/29/38/96/330293896.db2.gz BGZRTFQYRNEMTB-MVEWNYDKSA-N 0 1 288.778 3.625 20 0 CHADMN COCCC1CCN([C@H](C)c2cccc(F)c2F)CC1 ZINC000527932125 330297490 /nfs/dbraw/zinc/29/74/90/330297490.db2.gz DYCPQGMTMVRXDE-GFCCVEGCSA-N 0 1 283.362 3.774 20 0 CHADMN CCc1nc(C)c([C@@H](C)NCc2cccnc2C)s1 ZINC000527984698 330298626 /nfs/dbraw/zinc/29/86/26/330298626.db2.gz HCQSPUXVATVFPW-LLVKDONJSA-N 0 1 275.421 3.568 20 0 CHADMN CC[C@@H](NCc1cccnc1C)c1ccccc1F ZINC000527989365 330299101 /nfs/dbraw/zinc/29/91/01/330299101.db2.gz YMABZHVLMKRRJI-MRXNPFEDSA-N 0 1 258.340 3.770 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@H]1CCc2cc(Cl)ccc21 ZINC000527992531 330299239 /nfs/dbraw/zinc/29/92/39/330299239.db2.gz NWWYZFVHMONTAP-ZBEGNZNMSA-N 0 1 287.794 3.777 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000527994092 330299407 /nfs/dbraw/zinc/29/94/07/330299407.db2.gz NWWYZFVHMONTAP-BDJLRTHQSA-N 0 1 287.794 3.777 20 0 CHADMN C[C@@H](N[C@@H](c1ccccn1)C1CCC1)c1ccncc1 ZINC000527962999 330300848 /nfs/dbraw/zinc/30/08/48/330300848.db2.gz FCLKLYIYJZUTRO-CXAGYDPISA-N 0 1 267.376 3.669 20 0 CHADMN C[C@@H](N[C@@H](c1ccccn1)C1CCC1)c1cccnc1 ZINC000527967191 330301208 /nfs/dbraw/zinc/30/12/08/330301208.db2.gz MRZUQSIYZOCTTN-CXAGYDPISA-N 0 1 267.376 3.669 20 0 CHADMN c1ccc([C@@H](N[C@H]2CCCc3cccnc32)C2CCC2)nc1 ZINC000527967785 330301324 /nfs/dbraw/zinc/30/13/24/330301324.db2.gz RDFCCTBMIWPBFZ-HKUYNNGSSA-N 0 1 293.414 3.985 20 0 CHADMN C[C@H](N[C@H](c1ccccn1)C1CCC1)c1ccccn1 ZINC000527969593 330301379 /nfs/dbraw/zinc/30/13/79/330301379.db2.gz RFXROZKOJOZTIK-GUYCJALGSA-N 0 1 267.376 3.669 20 0 CHADMN CC(C)n1cncc1CN[C@@H]1CCc2cc(Cl)ccc21 ZINC000424155205 330301981 /nfs/dbraw/zinc/30/19/81/330301981.db2.gz MLISVHZSJOPJGX-MRXNPFEDSA-N 0 1 289.810 3.895 20 0 CHADMN Fc1ccc([C@@H](NCC[C@@H]2CC=CCC2)c2ncc[nH]2)cc1 ZINC000527976388 330302157 /nfs/dbraw/zinc/30/21/57/330302157.db2.gz FEYKXZJKHTXJHM-RHSMWYFYSA-N 0 1 299.393 3.974 20 0 CHADMN CO[C@H](c1ccccc1)[C@H](C)N[C@@H](C)c1ncccc1F ZINC000528034658 330302344 /nfs/dbraw/zinc/30/23/44/330302344.db2.gz AMJOVJXAPUJPDU-DCGLDWPTSA-N 0 1 288.366 3.648 20 0 CHADMN C[C@@H](NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(F)cc1F ZINC000528007792 330303512 /nfs/dbraw/zinc/30/35/12/330303512.db2.gz CKCILYRZBGIKBS-IUODEOHRSA-N 0 1 294.389 3.632 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cs1 ZINC000528010544 330303889 /nfs/dbraw/zinc/30/38/89/330303889.db2.gz ZHPMYNYEARFWNX-HNRZYHPDSA-N 0 1 282.453 3.729 20 0 CHADMN CC(C)n1cncc1CN[C@@H]1CCCc2c(F)cccc21 ZINC000424168996 330310251 /nfs/dbraw/zinc/31/02/51/330310251.db2.gz GJXIEBGJXMFVPN-QGZVFWFLSA-N 0 1 287.382 3.770 20 0 CHADMN COc1ccc([C@@H](C)N(C)C/C=C(\C)Cl)cc1 ZINC000528338499 330319480 /nfs/dbraw/zinc/31/94/80/330319480.db2.gz NEEZUJARBKBLLG-LMMOQWNQSA-N 0 1 253.773 3.831 20 0 CHADMN c1csc(-c2nc(CN[C@@H]3CC34CC4)cs2)c1 ZINC000424183606 330320184 /nfs/dbraw/zinc/32/01/84/330320184.db2.gz KBJRMEWUUWEGHB-LLVKDONJSA-N 0 1 262.403 3.514 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN(C)CC1CC(C)(C)C1 ZINC000528347478 330321344 /nfs/dbraw/zinc/32/13/44/330321344.db2.gz DOEVCHKRCDCIMC-UHFFFAOYSA-N 0 1 288.435 3.610 20 0 CHADMN CCO[C@@H]1C[C@H](NCc2ncccc2Cl)C12CCCC2 ZINC000528502199 330321378 /nfs/dbraw/zinc/32/13/78/330321378.db2.gz GQEVGXNCQRNRAD-LSDHHAIUSA-N 0 1 294.826 3.562 20 0 CHADMN C/C(Cl)=C/CN1CCC[C@H](c2nc(C)cs2)C1 ZINC000528361471 330322442 /nfs/dbraw/zinc/32/24/42/330322442.db2.gz AGUZJTPISSEBRL-JSJZCHLLSA-N 0 1 270.829 3.774 20 0 CHADMN CC(C)(Cc1ccccc1Cl)NCc1cscn1 ZINC000105492119 330326736 /nfs/dbraw/zinc/32/67/36/330326736.db2.gz CWSQTCHBLJQKOK-UHFFFAOYSA-N 0 1 280.824 3.907 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)N[C@H](C)c1cnn(C)c1 ZINC000044497867 330328530 /nfs/dbraw/zinc/32/85/30/330328530.db2.gz IWQJMRWINWUIRY-KGLIPLIRSA-N 0 1 287.407 3.619 20 0 CHADMN C[C@H](c1ccccc1)N1CCc2ccc(F)cc2C1 ZINC000533078101 330330474 /nfs/dbraw/zinc/33/04/74/330330474.db2.gz BPBZFUZAUWVMGG-CYBMUJFWSA-N 0 1 255.336 3.945 20 0 CHADMN C[C@@H](c1ccccc1)N1CCc2ccc(F)cc2C1 ZINC000533078102 330330591 /nfs/dbraw/zinc/33/05/91/330330591.db2.gz BPBZFUZAUWVMGG-ZDUSSCGKSA-N 0 1 255.336 3.945 20 0 CHADMN Clc1ccc2nc(CN[C@H]3CCc4ccccc43)cn2c1 ZINC000105988867 330331519 /nfs/dbraw/zinc/33/15/19/330331519.db2.gz HOYSDQLROFSYLJ-INIZCTEOSA-N 0 1 297.789 3.765 20 0 CHADMN Cc1noc(C)c1CN[C@H](c1ccc(C)cc1)C1CC1 ZINC000106049638 330331538 /nfs/dbraw/zinc/33/15/38/330331538.db2.gz IQVWVFIXKJZXNP-QGZVFWFLSA-N 0 1 270.376 3.841 20 0 CHADMN Cc1cc(CNC2CC(c3cccc(Cl)c3)C2)no1 ZINC000044692761 330332242 /nfs/dbraw/zinc/33/22/42/330332242.db2.gz YQNJYJGIDKEESH-UHFFFAOYSA-N 0 1 276.767 3.672 20 0 CHADMN CC[C@H](N[C@H]1C[C@@]1(F)c1ccccc1)c1ccncc1 ZINC000424313312 330338935 /nfs/dbraw/zinc/33/89/35/330338935.db2.gz ATFXENMTUWTNSJ-YESZJQIVSA-N 0 1 270.351 3.760 20 0 CHADMN COc1ccc([C@H](C)N[C@@H]2CC23CC3)c(Br)c1 ZINC000424320016 330340093 /nfs/dbraw/zinc/34/00/93/330340093.db2.gz IOQJSFKBHRTWIZ-TVQRCGJNSA-N 0 1 296.208 3.661 20 0 CHADMN COC(=O)c1cnc([C@H](C)N[C@@H](C)CC2CCCC2)s1 ZINC000424325512 330341164 /nfs/dbraw/zinc/34/11/64/330341164.db2.gz LGDBOGJNGQKQOO-QWRGUYRKSA-N 0 1 296.436 3.549 20 0 CHADMN C[C@@H](Cc1nc(C2(N)CCCCC2)no1)c1ccccc1 ZINC000424334790 330343322 /nfs/dbraw/zinc/34/33/22/330343322.db2.gz GEMKCTBMXVWIFE-ZDUSSCGKSA-N 0 1 285.391 3.534 20 0 CHADMN CC1CCC(Cc2nc(C3(N)CCCCC3)no2)CC1 ZINC000424344129 330344442 /nfs/dbraw/zinc/34/44/42/330344442.db2.gz KXIBSCSSVOQDST-UHFFFAOYSA-N 0 1 277.412 3.557 20 0 CHADMN NC1(c2noc(CCCC3CCCC3)n2)CCCCC1 ZINC000424344146 330344487 /nfs/dbraw/zinc/34/44/87/330344487.db2.gz LCFXUNICVMZNBT-UHFFFAOYSA-N 0 1 277.412 3.701 20 0 CHADMN Cc1cccc(/C=C/c2nc(C3(N)CCCCC3)no2)c1 ZINC000424345192 330344624 /nfs/dbraw/zinc/34/46/24/330344624.db2.gz MVINQSNNCCGWAQ-CMDGGOBGSA-N 0 1 283.375 3.667 20 0 CHADMN C[C@H](Cc1ccccc1)c1nc(C2(N)CCCCC2)no1 ZINC000424345805 330344682 /nfs/dbraw/zinc/34/46/82/330344682.db2.gz NUOWEDFOHXDWAC-CYBMUJFWSA-N 0 1 285.391 3.534 20 0 CHADMN CC[C@H](N[C@@H]1CCc2ccccc21)c1nccs1 ZINC000080257688 330345166 /nfs/dbraw/zinc/34/51/66/330345166.db2.gz UCORLHBQCJZJJG-UONOGXRCSA-N 0 1 258.390 3.871 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2cccc3c2OCO3)c1 ZINC000107319893 330348892 /nfs/dbraw/zinc/34/88/92/330348892.db2.gz HZVHVHYGDBZNHO-CQSZACIVSA-N 0 1 283.371 3.883 20 0 CHADMN C[C@H](C[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000424417946 330350803 /nfs/dbraw/zinc/35/08/03/330350803.db2.gz MQXSNVWLGLRMLS-LALPHHSUSA-N 0 1 295.810 3.629 20 0 CHADMN CC(C)c1ccc(CC[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1 ZINC000424417054 330350807 /nfs/dbraw/zinc/35/08/07/330350807.db2.gz LNYHRWPCTSWRPX-RHSMWYFYSA-N 0 1 289.419 3.538 20 0 CHADMN C[C@@H](N(C)Cc1ccn(-c2ccc(F)cc2)n1)C(C)(C)C ZINC000533249871 330355256 /nfs/dbraw/zinc/35/52/56/330355256.db2.gz CRKFAWAMDQUONW-CYBMUJFWSA-N 0 1 289.398 3.878 20 0 CHADMN Cc1ccc2nc(CN3CCC(C(C)C)CC3)cn2c1 ZINC000533295885 330356143 /nfs/dbraw/zinc/35/61/43/330356143.db2.gz MQZDQSLLYIGEBG-UHFFFAOYSA-N 0 1 271.408 3.511 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(-n3ccnc3C)cc2)o1 ZINC000086279410 330369187 /nfs/dbraw/zinc/36/91/87/330369187.db2.gz SRVDICYGWMMSHB-CQSZACIVSA-N 0 1 295.386 3.933 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](C)C1CCCCC1 ZINC000119187240 330371029 /nfs/dbraw/zinc/37/10/29/330371029.db2.gz VYBWNSJZAXJDTD-LLVKDONJSA-N 0 1 277.412 3.540 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000086807209 330371067 /nfs/dbraw/zinc/37/10/67/330371067.db2.gz TWFJJLSBUFIWCX-IUCAKERBSA-N 0 1 290.190 3.707 20 0 CHADMN CCN(Cc1ccccc1C)C(=O)c1c(O)cccc1F ZINC000119394971 330373299 /nfs/dbraw/zinc/37/32/99/330373299.db2.gz OEXADDINQCCNKK-UHFFFAOYSA-N 0 1 287.334 3.502 20 0 CHADMN Cn1cccc1[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000057622491 330377209 /nfs/dbraw/zinc/37/72/09/330377209.db2.gz OJMYYMYVEIHOQO-INIZCTEOSA-N 0 1 258.340 3.501 20 0 CHADMN CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](C)CC1 ZINC000119705874 330378973 /nfs/dbraw/zinc/37/89/73/330378973.db2.gz PILFVGYZKRVIAT-HNNXBMFYSA-N 0 1 288.435 3.871 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CCC[C@H](C)CC1 ZINC000119705874 330378974 /nfs/dbraw/zinc/37/89/74/330378974.db2.gz PILFVGYZKRVIAT-HNNXBMFYSA-N 0 1 288.435 3.871 20 0 CHADMN C[C@H](NCc1cc(Cl)cs1)c1cccc(O)c1 ZINC000093094535 330417027 /nfs/dbraw/zinc/41/70/27/330417027.db2.gz DQVAIJSAVOKUTI-VIFPVBQESA-N 0 1 267.781 3.958 20 0 CHADMN COC(=O)c1cnc([C@@H](C)NCCC2CCCCC2)s1 ZINC000315001538 330470303 /nfs/dbraw/zinc/47/03/03/330470303.db2.gz SVHNUWKGVPCIBI-LLVKDONJSA-N 0 1 296.436 3.551 20 0 CHADMN Cc1ccc(CN[C@H]2CSc3ccccc32)cc1 ZINC000083748762 330482379 /nfs/dbraw/zinc/48/23/79/330482379.db2.gz BGVCAPXYEGBQJF-HNNXBMFYSA-N 0 1 255.386 3.932 20 0 CHADMN CC(C)CC(C)(C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000084578284 330486868 /nfs/dbraw/zinc/48/68/68/330486868.db2.gz SCRJXUSOSXENSH-ZDUSSCGKSA-N 0 1 296.480 3.539 20 0 CHADMN Cc1nnsc1CN[C@H](CC1CCC1)c1ccccc1 ZINC000426319289 330503990 /nfs/dbraw/zinc/50/39/90/330503990.db2.gz PGEMCPUGTFLTIJ-OAHLLOKOSA-N 0 1 287.432 3.868 20 0 CHADMN CCCc1csc(CN2CCC(C)(C)CC2)n1 ZINC000426360630 330505537 /nfs/dbraw/zinc/50/55/37/330505537.db2.gz FVMVIEFPPKFVQU-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN Fc1cccc(F)c1CN(C1CCC1)C1CCC1 ZINC000429112453 330538629 /nfs/dbraw/zinc/53/86/29/330538629.db2.gz GKQLGGDJTTWQQL-UHFFFAOYSA-N 0 1 251.320 3.872 20 0 CHADMN CC(C)(C)c1cnc(CN(C2CCC2)C2CCC2)o1 ZINC000429178162 330539585 /nfs/dbraw/zinc/53/95/85/330539585.db2.gz DKRQAOJJMDZEKD-UHFFFAOYSA-N 0 1 262.397 3.879 20 0 CHADMN CCO[C@@H]1C[C@H](NCc2ncc(C3CC3)o2)C1(CC)CC ZINC000429355395 330544292 /nfs/dbraw/zinc/54/42/92/330544292.db2.gz OZBLDINECXZBBO-LSDHHAIUSA-N 0 1 292.423 3.625 20 0 CHADMN CCN(CC)Cc1c2ccccc2sc1C(=O)OC ZINC000434056010 330634965 /nfs/dbraw/zinc/63/49/65/330634965.db2.gz BYKSNRFWCZUYTE-UHFFFAOYSA-N 0 1 277.389 3.530 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@H](C)c1ccc(F)cc1F ZINC000153587902 330646155 /nfs/dbraw/zinc/64/61/55/330646155.db2.gz GRMRBHIKKZZXOM-HTQZYQBOSA-N 0 1 267.241 3.956 20 0 CHADMN COc1cc([C@@H](C)NCc2occc2C)ccc1F ZINC000154486988 330659421 /nfs/dbraw/zinc/65/94/21/330659421.db2.gz PFZFNTKTWZNEQR-LLVKDONJSA-N 0 1 263.312 3.587 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C[C@H]2CCC[C@H]2C)c1 ZINC000436651292 330682289 /nfs/dbraw/zinc/68/22/89/330682289.db2.gz VHXOJTGRRSOBCE-VXGBXAGGSA-N 0 1 289.375 3.750 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)c2ccc(C)c(C)c2)c1 ZINC000436653441 330682313 /nfs/dbraw/zinc/68/23/13/330682313.db2.gz ACIXVFZWDAUJKZ-UHFFFAOYSA-N 0 1 297.354 3.854 20 0 CHADMN CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000436692300 330682894 /nfs/dbraw/zinc/68/28/94/330682894.db2.gz WPXSQZPDNFVPRI-AAEUAGOBSA-N 0 1 295.810 3.990 20 0 CHADMN CC(C)C[C@@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000436831575 330686265 /nfs/dbraw/zinc/68/62/65/330686265.db2.gz QNCJJSYLMVDUGV-LBPRGKRZSA-N 0 1 295.810 3.944 20 0 CHADMN CC(C)(CF)NC(=O)c1cc(Cl)c2ccccc2c1O ZINC000436922805 330688532 /nfs/dbraw/zinc/68/85/32/330688532.db2.gz QDJJPLRFDKFJMA-UHFFFAOYSA-N 0 1 295.741 3.677 20 0 CHADMN Cc1cc(=O)[nH]c(C=Cc2cc(Cl)c(O)cc2Cl)n1 ZINC000436934169 330688941 /nfs/dbraw/zinc/68/89/41/330688941.db2.gz RXHVVAGIJREJNJ-NSCUHMNNSA-N 0 1 297.141 3.673 20 0 CHADMN Cc1cc(=O)[nH]c(C=Cc2cc(Cl)c(O)cc2Cl)n1 ZINC000436934166 330689006 /nfs/dbraw/zinc/68/90/06/330689006.db2.gz RXHVVAGIJREJNJ-IHWYPQMZSA-N 0 1 297.141 3.673 20 0 CHADMN CCCc1cccc(CN[C@@H](C)c2ccncc2OC)c1 ZINC000438470686 330725592 /nfs/dbraw/zinc/72/55/92/330725592.db2.gz JOKDTFQQYMPXDX-AWEZNQCLSA-N 0 1 284.403 3.894 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1ccc(Cl)cc1C ZINC000438486391 330726184 /nfs/dbraw/zinc/72/61/84/330726184.db2.gz PHACAWFOPIDHRO-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CCOc1ccc([C@@H](C)NC[C@@H](F)CC)cc1OCC ZINC000440771140 330755916 /nfs/dbraw/zinc/75/59/16/330755916.db2.gz MOLSYSIRTRAMSZ-OCCSQVGLSA-N 0 1 283.387 3.883 20 0 CHADMN CCCOc1ccc([C@H](C)NC[C@@H](F)CC)cc1OC ZINC000440787211 330756416 /nfs/dbraw/zinc/75/64/16/330756416.db2.gz VBRPTPDFVFWCJG-JSGCOSHPSA-N 0 1 283.387 3.883 20 0 CHADMN Cc1nn(C)cc1CN[C@@H](C)c1ccccc1C(F)(F)F ZINC000157699562 330798136 /nfs/dbraw/zinc/79/81/36/330798136.db2.gz LGGKTUGBAFTSKQ-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN Cc1ccc(CN[C@@H](CO)c2cccc(F)c2)cc1Cl ZINC000443993104 330808750 /nfs/dbraw/zinc/80/87/50/330808750.db2.gz JAVMDHACELNACR-INIZCTEOSA-N 0 1 293.769 3.611 20 0 CHADMN C[C@H]1C[C@@H](CCNCc2cocn2)CC(C)(C)C1 ZINC000443998169 330808962 /nfs/dbraw/zinc/80/89/62/330808962.db2.gz SXYYAAMHUYHDEP-QWHCGFSZSA-N 0 1 250.386 3.617 20 0 CHADMN CC[C@@H](C(=O)N1C[C@H](C(C)(C)C)c2ccccc21)N(C)C ZINC000444637545 330816064 /nfs/dbraw/zinc/81/60/64/330816064.db2.gz RJGXAADUOIPDND-GJZGRUSLSA-N 0 1 288.435 3.503 20 0 CHADMN Cc1cc([C@H](C)N[C@H](CO)c2sccc2C)c(C)o1 ZINC000447589551 330872023 /nfs/dbraw/zinc/87/20/23/330872023.db2.gz YDCFNEIZTHYKMJ-SMDDNHRTSA-N 0 1 279.405 3.651 20 0 CHADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@@H]2CCC[C@H]2CCC(C)C)n1 ZINC000447877106 330879190 /nfs/dbraw/zinc/87/91/90/330879190.db2.gz CPJPTVCHPBKDLQ-SOUVJXGZSA-N 0 1 291.439 3.746 20 0 CHADMN CC[C@H](Cc1nc(-c2ccn3cncc3c2)no1)C(C)C ZINC000447947217 330880925 /nfs/dbraw/zinc/88/09/25/330880925.db2.gz BTKAJGOEVFDHSE-GFCCVEGCSA-N 0 1 284.363 3.609 20 0 CHADMN COc1cc(C)ccc1CN1CCC(C(F)(F)F)CC1 ZINC000449010344 330891286 /nfs/dbraw/zinc/89/12/86/330891286.db2.gz SKMGTOSHUZYVKU-UHFFFAOYSA-N 0 1 287.325 3.778 20 0 CHADMN COc1ccccc1[C@H](C)NCc1ccnn1C1CCCC1 ZINC000449057994 330896012 /nfs/dbraw/zinc/89/60/12/330896012.db2.gz FZRMVJNPCDXULB-AWEZNQCLSA-N 0 1 299.418 3.858 20 0 CHADMN Cc1cccc([C@H](C)NCc2ccncc2F)c1C ZINC000449137669 330901308 /nfs/dbraw/zinc/90/13/08/330901308.db2.gz GGRKQUWOFHAZCK-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN C[C@H](NCc1ccncc1F)c1cccc(N2CCCC2)c1 ZINC000449185471 330904542 /nfs/dbraw/zinc/90/45/42/330904542.db2.gz HUUKGDFFPGQBAY-AWEZNQCLSA-N 0 1 299.393 3.672 20 0 CHADMN COc1cccc(C2(NCc3cccc(C)c3F)CC2)c1 ZINC000449187412 330904717 /nfs/dbraw/zinc/90/47/17/330904717.db2.gz JABFEZPQWGDFEB-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN CC(C)(C)c1nnc(CN[C@@H]2CCCC23CCC3)s1 ZINC000449196815 330905503 /nfs/dbraw/zinc/90/55/03/330905503.db2.gz ZFWGUWLOYWBMJZ-LLVKDONJSA-N 0 1 279.453 3.648 20 0 CHADMN CC(C)(CF)NCc1cnc(CCc2ccccc2)s1 ZINC000449250792 330909873 /nfs/dbraw/zinc/90/98/73/330909873.db2.gz PXCUWHRMVJDJFZ-UHFFFAOYSA-N 0 1 292.423 3.766 20 0 CHADMN C[C@@H](CN[C@H]1CCc2cc(F)c(F)c(F)c21)C(F)(F)F ZINC000449259561 330910692 /nfs/dbraw/zinc/91/06/92/330910692.db2.gz ULSFJRMOGIAHFN-RCOVLWMOSA-N 0 1 297.242 3.879 20 0 CHADMN Cc1cnc(CN[C@H](C)c2cccc(C3CC3)c2)cn1 ZINC000449348880 330917101 /nfs/dbraw/zinc/91/71/01/330917101.db2.gz HRCAABYWJNPMAX-CYBMUJFWSA-N 0 1 267.376 3.513 20 0 CHADMN CC[C@H](N[C@H]1CC[C@@H](c2ccccc2)C1)C(F)F ZINC000449359024 330918544 /nfs/dbraw/zinc/91/85/44/330918544.db2.gz HEWJRYYKDOSGJH-RDBSUJKOSA-N 0 1 253.336 3.956 20 0 CHADMN CC[C@H](NC1CCC(C(=O)OC(C)(C)C)CC1)C(F)F ZINC000449359891 330918574 /nfs/dbraw/zinc/91/85/74/330918574.db2.gz IKMQDPSFHHPTFC-MCIGGMRASA-N 0 1 291.382 3.520 20 0 CHADMN C/C(=C\c1ccccc1OC(F)F)CN1CC2(CC2)C1 ZINC000449369336 330919265 /nfs/dbraw/zinc/91/92/65/330919265.db2.gz CDABOYOHWACBGR-XYOKQWHBSA-N 0 1 279.330 3.787 20 0 CHADMN c1cc(CN2CC3(CC3)C2)cc(OC2CCCC2)c1 ZINC000449370314 330919407 /nfs/dbraw/zinc/91/94/07/330919407.db2.gz JLHVSWMYTYBQGT-UHFFFAOYSA-N 0 1 257.377 3.604 20 0 CHADMN Fc1ccc(C2CC2)cc1CNCc1cccc2c[nH]nc21 ZINC000449374468 330920178 /nfs/dbraw/zinc/92/01/78/330920178.db2.gz ZUBBPNIQTDCZDS-UHFFFAOYSA-N 0 1 295.361 3.869 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H](c2ccccc2)C1)C(C)(F)F ZINC000449417814 330924261 /nfs/dbraw/zinc/92/42/61/330924261.db2.gz ZUOVJHWIXSJFFK-YUTCNCBUSA-N 0 1 253.336 3.956 20 0 CHADMN Cc1ccc(-c2nc(CN3CCC(CF)CC3)co2)cc1 ZINC000449453761 330926996 /nfs/dbraw/zinc/92/69/96/330926996.db2.gz IHKQGUYYESBASJ-UHFFFAOYSA-N 0 1 288.366 3.832 20 0 CHADMN FCC1CCN(C/C=C\c2ccc(F)cc2F)CC1 ZINC000449460313 330927536 /nfs/dbraw/zinc/92/75/36/330927536.db2.gz RGWAUUUMNFFTGX-UPHRSURJSA-N 0 1 269.310 3.660 20 0 CHADMN Cc1nccc(N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1Cl ZINC000450674910 330992752 /nfs/dbraw/zinc/99/27/52/330992752.db2.gz CLVHVZVCWPGBEJ-GUTXKFCHSA-N 0 1 294.826 3.563 20 0 CHADMN CC[C@@H](Nc1ccnc2cc(C(F)(F)F)ccc21)[C@@H](C)O ZINC000450802784 331000322 /nfs/dbraw/zinc/00/03/22/331000322.db2.gz VOUXVTDJSYDHFV-BXKDBHETSA-N 0 1 298.308 3.825 20 0 CHADMN CC[C@H](Nc1ccnc2cc(C(F)(F)F)ccc21)[C@@H](C)O ZINC000450802787 331000345 /nfs/dbraw/zinc/00/03/45/331000345.db2.gz VOUXVTDJSYDHFV-SKDRFNHKSA-N 0 1 298.308 3.825 20 0 CHADMN CCN(Cc1nnc(C2CC2)s1)[C@H]1CCCC[C@@H]1C ZINC000450809255 331000617 /nfs/dbraw/zinc/00/06/17/331000617.db2.gz KBUGKTONWSAWSB-AAEUAGOBSA-N 0 1 279.453 3.816 20 0 CHADMN CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000450814934 331000867 /nfs/dbraw/zinc/00/08/67/331000867.db2.gz ZYEGZDYLQXGDOD-DGCLKSJQSA-N 0 1 279.453 3.816 20 0 CHADMN CC[C@@H]1CCCC[C@H]1N(C)Cc1nnc(C2CC2)s1 ZINC000450814934 331000868 /nfs/dbraw/zinc/00/08/68/331000868.db2.gz ZYEGZDYLQXGDOD-DGCLKSJQSA-N 0 1 279.453 3.816 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H]1c1ccccc1)c1csnn1 ZINC000450823384 331001226 /nfs/dbraw/zinc/00/12/26/331001226.db2.gz UKSLLHKXQWHSRX-IACUBPJLSA-N 0 1 273.405 3.525 20 0 CHADMN CCn1ccnc1[C@@H]1CCCCN1C[C@H]1CCC(F)(F)C1 ZINC000450917728 331007100 /nfs/dbraw/zinc/00/71/00/331007100.db2.gz UHIRQYYVDZMJOB-KBPBESRZSA-N 0 1 297.393 3.865 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3CCC(F)(F)F)[nH]c2c1 ZINC000451015126 331011698 /nfs/dbraw/zinc/01/16/98/331011698.db2.gz KUKYCALAFHIUDV-CYBMUJFWSA-N 0 1 297.324 3.961 20 0 CHADMN Cc1cccc(CSCc2n[nH]c(C(C)C)n2)c1 ZINC000451030961 331012495 /nfs/dbraw/zinc/01/24/95/331012495.db2.gz OFSUTLWLHOPEFP-UHFFFAOYSA-N 0 1 261.394 3.670 20 0 CHADMN CC(C)c1nnc(CN2CC(C)(C)[C@H]3CCC[C@@H]32)s1 ZINC000451073498 331014947 /nfs/dbraw/zinc/01/49/47/331014947.db2.gz KPRJUJGRPSSZKY-RYUDHWBXSA-N 0 1 279.453 3.672 20 0 CHADMN Cc1ccccc1CCN(C)Cc1cc(-c2ccco2)on1 ZINC000451169660 331018489 /nfs/dbraw/zinc/01/84/89/331018489.db2.gz MQVOXTRMEKSDIK-UHFFFAOYSA-N 0 1 296.370 3.918 20 0 CHADMN Cc1nc(CN(C)CCc2ccccc2C)sc1C ZINC000451171455 331018636 /nfs/dbraw/zinc/01/86/36/331018636.db2.gz SNSSWGYOZFLTIB-UHFFFAOYSA-N 0 1 274.433 3.743 20 0 CHADMN CC[C@H](CC(C)C)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000451224389 331021062 /nfs/dbraw/zinc/02/10/62/331021062.db2.gz DCNHBYVXKGRDOT-CYBMUJFWSA-N 0 1 293.455 3.738 20 0 CHADMN CC(C)(C)c1cnc(CN2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)o1 ZINC000451375490 331026309 /nfs/dbraw/zinc/02/63/09/331026309.db2.gz UULFBKAOGJEFNO-COJSNBRMSA-N 0 1 286.419 3.616 20 0 CHADMN COc1cc(Cl)ccc1CN1CCC(CF)CC1 ZINC000451395251 331027436 /nfs/dbraw/zinc/02/74/36/331027436.db2.gz QFZSXGOGTDLNMV-UHFFFAOYSA-N 0 1 271.763 3.530 20 0 CHADMN CCCCc1noc(CN[C@H](CCC)C(C)(C)C)n1 ZINC000451428156 331029112 /nfs/dbraw/zinc/02/91/12/331029112.db2.gz XRSAMHPVVVFNGC-GFCCVEGCSA-N 0 1 267.417 3.717 20 0 CHADMN CC(C)O[C@H]1C[C@@H](NCc2cc(C(C)(C)C)on2)C1(C)C ZINC000451497560 331031553 /nfs/dbraw/zinc/03/15/53/331031553.db2.gz LGNHRHRTMYLAKZ-HIFRSBDPSA-N 0 1 294.439 3.654 20 0 CHADMN CC(C)O[C@H]1C[C@H](NCc2nc3ccccc3o2)C1(C)C ZINC000451502996 331031672 /nfs/dbraw/zinc/03/16/72/331031672.db2.gz QLBXJOPORBYULY-GJZGRUSLSA-N 0 1 288.391 3.510 20 0 CHADMN CO[C@@H]1CCN(Cc2cccc(F)c2Cl)CC1(C)C ZINC000451566782 331034752 /nfs/dbraw/zinc/03/47/52/331034752.db2.gz PAOVHMLGSBIZSY-CYBMUJFWSA-N 0 1 285.790 3.726 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H]2CCC[C@@H]2CC)c1 ZINC000451900272 331046693 /nfs/dbraw/zinc/04/66/93/331046693.db2.gz ZSNHAOSRNKQHAL-AAEUAGOBSA-N 0 1 289.375 3.750 20 0 CHADMN CC(C)(C)OCCN1CCC[C@@H]1c1ccc(F)cc1F ZINC000451964503 331048581 /nfs/dbraw/zinc/04/85/81/331048581.db2.gz JLRHXYBRHXBFCK-OAHLLOKOSA-N 0 1 283.362 3.917 20 0 CHADMN CC(C)(C)OCCN1CCC[C@H]1c1ccc(F)cc1F ZINC000451964501 331048612 /nfs/dbraw/zinc/04/86/12/331048612.db2.gz JLRHXYBRHXBFCK-HNNXBMFYSA-N 0 1 283.362 3.917 20 0 CHADMN Fc1ccc([C@@H]2CCCN2CCOC2CCC2)c(F)c1 ZINC000451973528 331049024 /nfs/dbraw/zinc/04/90/24/331049024.db2.gz QSPBLSIHAZXVFP-INIZCTEOSA-N 0 1 281.346 3.671 20 0 CHADMN C[C@H]1CCC[C@@]1(C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000451983523 331049372 /nfs/dbraw/zinc/04/93/72/331049372.db2.gz UYGJAJDUCTYXAS-RMLUDKJBSA-N 0 1 285.746 3.950 20 0 CHADMN CC(C)c1noc([C@@H](C)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)n1 ZINC000452041235 331051664 /nfs/dbraw/zinc/05/16/64/331051664.db2.gz JEUWMSMJCMYBNY-GODIYZJISA-N 0 1 289.423 3.622 20 0 CHADMN CC(C)(C)C[C@@H]1CCN(Cc2nc(-c3ccco3)no2)C1 ZINC000452084234 331053410 /nfs/dbraw/zinc/05/34/10/331053410.db2.gz USJRVKFQNWISRU-LBPRGKRZSA-N 0 1 289.379 3.588 20 0 CHADMN COC[C@@H]1CCCN(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000452095702 331054100 /nfs/dbraw/zinc/05/41/00/331054100.db2.gz XPQDVEKGWRZQJA-CYBMUJFWSA-N 0 1 296.480 3.689 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000194863745 331067432 /nfs/dbraw/zinc/06/74/32/331067432.db2.gz YCEZFWRONDIXJL-PZPSRYQVSA-N 0 1 299.439 3.717 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@H](CO)c1ccccc1 ZINC000194893183 331072023 /nfs/dbraw/zinc/07/20/23/331072023.db2.gz YPRRTKIXHBBYTP-CZUORRHYSA-N 0 1 287.428 3.793 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@@]2(C)CC(C)C)[nH]1 ZINC000452983325 331082794 /nfs/dbraw/zinc/08/27/94/331082794.db2.gz HQKGKOBVULWFDX-SFHVURJKSA-N 0 1 299.418 3.912 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@]2(C)CC(C)C)[nH]1 ZINC000452983324 331082810 /nfs/dbraw/zinc/08/28/10/331082810.db2.gz HQKGKOBVULWFDX-GOSISDBHSA-N 0 1 299.418 3.912 20 0 CHADMN C[C@@H]1C[C@H](N[C@H](c2cccs2)C2CC2)c2nccn21 ZINC000453082609 331087367 /nfs/dbraw/zinc/08/73/67/331087367.db2.gz UYRKCVOEQGTMQQ-OSMZGAPFSA-N 0 1 273.405 3.691 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccncn1)c1ccccc1C(F)(F)F ZINC000453103031 331089275 /nfs/dbraw/zinc/08/92/75/331089275.db2.gz WDPNSQPWSQPJLU-MNOVXSKESA-N 0 1 295.308 3.907 20 0 CHADMN Fc1cccc([C@H](N[C@@H]2CCn3ccnc32)C2CCCC2)c1 ZINC000453137696 331093167 /nfs/dbraw/zinc/09/31/67/331093167.db2.gz LAOIIVCVAXIDES-IAGOWNOFSA-N 0 1 299.393 3.988 20 0 CHADMN C[C@@H](N[C@@H]1CC[C@@H](C)c2ccccc21)c1ccncn1 ZINC000453161282 331095650 /nfs/dbraw/zinc/09/56/50/331095650.db2.gz AHQDESIRYPMFLT-PBFPGSCMSA-N 0 1 267.376 3.766 20 0 CHADMN Cc1cccc(C)c1[C@H](C)N[C@@H](C)c1ccncn1 ZINC000453199405 331100583 /nfs/dbraw/zinc/10/05/83/331100583.db2.gz PSDVKHYFQFDQBF-KBPBESRZSA-N 0 1 255.365 3.505 20 0 CHADMN Cc1cccc(C)c1[C@H](C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000453205436 331101210 /nfs/dbraw/zinc/10/12/10/331101210.db2.gz XBCIFGWRVHFANK-SOUVJXGZSA-N 0 1 269.392 3.857 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H](C)c1csc(C)c1 ZINC000453207397 331101454 /nfs/dbraw/zinc/10/14/54/331101454.db2.gz ALQPUSZQJVVICQ-NWDGAFQWSA-N 0 1 276.405 3.872 20 0 CHADMN C[C@@H](NCCC(C)(F)F)c1ncc(-c2ccccc2)n1C ZINC000453226063 331103747 /nfs/dbraw/zinc/10/37/47/331103747.db2.gz WPAQRWYGVLSZBS-GFCCVEGCSA-N 0 1 293.361 3.783 20 0 CHADMN CC1(F)CC(N[C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000453240243 331105869 /nfs/dbraw/zinc/10/58/69/331105869.db2.gz SCNKCTVQUFPKLM-WIHSUSGWSA-N 0 1 288.341 3.790 20 0 CHADMN C[C@H](N[C@@H](C)c1ccncn1)c1cccc(C2CC2)c1 ZINC000453249836 331107425 /nfs/dbraw/zinc/10/74/25/331107425.db2.gz VNHGHDAPPNCDAG-STQMWFEESA-N 0 1 267.376 3.766 20 0 CHADMN COc1nccc(CN[C@@H](C)c2ccccc2C(C)(C)C)n1 ZINC000453261164 331108657 /nfs/dbraw/zinc/10/86/57/331108657.db2.gz YQZBIRHEHFFORO-ZDUSSCGKSA-N 0 1 299.418 3.634 20 0 CHADMN Cc1cc(C)c([C@@H](C)NCc2n[nH]c(C(C)C)n2)cc1C ZINC000453278375 331110338 /nfs/dbraw/zinc/11/03/38/331110338.db2.gz CTWUKDKEPDFUNJ-CQSZACIVSA-N 0 1 286.423 3.704 20 0 CHADMN COc1ccc([C@H]2C[C@@H]2[C@H](C)N[C@H](C)C(C)(F)F)cc1 ZINC000453278448 331110344 /nfs/dbraw/zinc/11/03/44/331110344.db2.gz FDUJBKYSYWXUCA-RBDSIQFVSA-N 0 1 283.362 3.821 20 0 CHADMN CC(C)(CN[C@@H](c1ncc[nH]1)c1ccccc1)C1CCC1 ZINC000453305335 331113875 /nfs/dbraw/zinc/11/38/75/331113875.db2.gz HKUBQWXQOKRJTR-MRXNPFEDSA-N 0 1 283.419 3.915 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2ccc(Cl)cn2)cn1 ZINC000453338067 331118745 /nfs/dbraw/zinc/11/87/45/331118745.db2.gz AXJGETNQPGWQPM-LBPRGKRZSA-N 0 1 275.783 3.598 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@@H]1NCc1cnc(C2CC2)o1 ZINC000453355549 331121589 /nfs/dbraw/zinc/12/15/89/331121589.db2.gz MLAQXVUJJLIFNI-BDJLRTHQSA-N 0 1 268.360 3.575 20 0 CHADMN COc1cccnc1CN[C@@H]1CCCCc2ccccc21 ZINC000453356279 331121656 /nfs/dbraw/zinc/12/16/56/331121656.db2.gz IBIAZSUKUGBIKV-MRXNPFEDSA-N 0 1 282.387 3.648 20 0 CHADMN COc1cccnc1CN[C@H]1CC[C@@H](C)c2ccsc21 ZINC000453357161 331121797 /nfs/dbraw/zinc/12/17/97/331121797.db2.gz IGVUCTFOPIHBSX-YPMHNXCESA-N 0 1 288.416 3.880 20 0 CHADMN CCC[C@@H](NCc1cnc(C)cc1C)c1ccccn1 ZINC000453358488 331121976 /nfs/dbraw/zinc/12/19/76/331121976.db2.gz LVLVQKGCXLWJDB-MRXNPFEDSA-N 0 1 269.392 3.724 20 0 CHADMN O[C@H]1C[C@@H](N[C@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000453360594 331122310 /nfs/dbraw/zinc/12/23/10/331122310.db2.gz KJVSCSZXXLOLGE-OOZYFLPDSA-N 0 1 292.231 3.545 20 0 CHADMN CC[C@@H](NCc1cnc(C2CC2)o1)c1ccccc1 ZINC000453366646 331123406 /nfs/dbraw/zinc/12/34/06/331123406.db2.gz SFGNBMVOXVFFHB-OAHLLOKOSA-N 0 1 256.349 3.793 20 0 CHADMN CCc1ncc(CN[C@@H]2c3cccc(F)c3CC[C@@H]2C)o1 ZINC000453368614 331123642 /nfs/dbraw/zinc/12/36/42/331123642.db2.gz HOCUYXXLPYFRLM-GTNSWQLSSA-N 0 1 288.366 3.789 20 0 CHADMN CCCc1ncc(CN[C@@H]2C[C@H](C)c3ccccc32)o1 ZINC000453389109 331127038 /nfs/dbraw/zinc/12/70/38/331127038.db2.gz PNTHNKBDGHUWJM-BLLLJJGKSA-N 0 1 270.376 3.965 20 0 CHADMN CCC1CN(Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000453600961 331135820 /nfs/dbraw/zinc/13/58/20/331135820.db2.gz FSJWKYNHDPWHEF-UHFFFAOYSA-N 0 1 291.288 3.609 20 0 CHADMN CC(C)(C)OC1CC(Nc2ccc3cnccc3c2)C1 ZINC000453613461 331136416 /nfs/dbraw/zinc/13/64/16/331136416.db2.gz LDECHWYCFFXRHU-UHFFFAOYSA-N 0 1 270.376 3.993 20 0 CHADMN Cn1cc(CN2CC3(CCCC3)[C@@H]2c2ccccc2)cn1 ZINC000453613447 331136505 /nfs/dbraw/zinc/13/65/05/331136505.db2.gz MEJZQNMOXDZPKR-KRWDZBQOSA-N 0 1 281.403 3.537 20 0 CHADMN Cc1cnn(C)c1CN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000453617186 331136776 /nfs/dbraw/zinc/13/67/76/331136776.db2.gz QVSNTAFGWPOKJP-GOSISDBHSA-N 0 1 295.430 3.846 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000455646032 331174722 /nfs/dbraw/zinc/17/47/22/331174722.db2.gz ROFOUJOKROXXTG-MRXNPFEDSA-N 0 1 275.392 3.930 20 0 CHADMN CC(C)c1cc(C(=O)N(C(C)C)C2CC(C)(C)C2)n[nH]1 ZINC000457082619 331211790 /nfs/dbraw/zinc/21/17/90/331211790.db2.gz YACCGOLLUOBGLZ-UHFFFAOYSA-N 0 1 277.412 3.572 20 0 CHADMN O=C(c1cnc[nH]1)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000458126074 331243463 /nfs/dbraw/zinc/24/34/63/331243463.db2.gz LUDMIWLGFONCDV-INIZCTEOSA-N 0 1 295.386 3.557 20 0 CHADMN CN(Cc1nccn1C(F)F)CC1CCC(F)(F)CC1 ZINC000459292339 331274861 /nfs/dbraw/zinc/27/48/61/331274861.db2.gz DKBBDFWFUZLZPQ-UHFFFAOYSA-N 0 1 293.308 3.536 20 0 CHADMN c1csc([C@@H]2CCCN2Cc2cnc(C3CC3)nc2)c1 ZINC000459300126 331275342 /nfs/dbraw/zinc/27/53/42/331275342.db2.gz UVNPNJWUNINDGY-AWEZNQCLSA-N 0 1 285.416 3.753 20 0 CHADMN CCOc1cc(CN2CC[C@H]2C(C)C)cc(Cl)c1O ZINC000459353380 331277665 /nfs/dbraw/zinc/27/76/65/331277665.db2.gz FRZUFALCXZINHI-ZDUSSCGKSA-N 0 1 283.799 3.675 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@@H]3COCC[C@H]32)c(Cl)c1 ZINC000459361028 331278240 /nfs/dbraw/zinc/27/82/40/331278240.db2.gz RRTMDUHDUOTTAJ-MLGOLLRUSA-N 0 1 297.801 3.788 20 0 CHADMN CC[N@@H+]1C[C@@H](C)N(CCCc2ccccc2Cl)[C@@H](C)C1 ZINC000459474780 331283807 /nfs/dbraw/zinc/28/38/07/331283807.db2.gz ZRBVZLNYICEMRK-GASCZTMLSA-N 0 1 294.870 3.687 20 0 CHADMN CCCC1CCC(N(C)Cc2cc(COC)on2)CC1 ZINC000459518103 331285834 /nfs/dbraw/zinc/28/58/34/331285834.db2.gz IUCRIGOEBXMYPC-UHFFFAOYSA-N 0 1 280.412 3.612 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cnc(C3CC3)nc1)CCC2 ZINC000459531525 331286217 /nfs/dbraw/zinc/28/62/17/331286217.db2.gz QGWROPCZKPCQTE-KRWDZBQOSA-N 0 1 297.377 3.660 20 0 CHADMN c1cc(-c2ccccc2)oc1CN1CC2(C1)CCCOC2 ZINC000459612686 331290599 /nfs/dbraw/zinc/29/05/99/331290599.db2.gz WCPYADYVKUSXML-UHFFFAOYSA-N 0 1 283.371 3.559 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2cc(Cl)sc2Cl)C1 ZINC000459634978 331291408 /nfs/dbraw/zinc/29/14/08/331291408.db2.gz OWEKLOUQYQETDO-DTORHVGOSA-N 0 1 280.220 3.712 20 0 CHADMN C[C@@H](CCCc1cccnc1)NCc1ncc(Cl)s1 ZINC000459637071 331291485 /nfs/dbraw/zinc/29/14/85/331291485.db2.gz KTOCYQVJWRAJKB-NSHDSACASA-N 0 1 295.839 3.693 20 0 CHADMN COCCC1(C)CN(Cc2ccccc2OCC(C)C)C1 ZINC000459638939 331291687 /nfs/dbraw/zinc/29/16/87/331291687.db2.gz VAUOTHQMALSJBR-UHFFFAOYSA-N 0 1 291.435 3.580 20 0 CHADMN C[C@H](NCc1cc(Cl)cs1)c1cncc(F)c1 ZINC000459647531 331292088 /nfs/dbraw/zinc/29/20/88/331292088.db2.gz KCLQLWPKQFAIQR-QMMMGPOBSA-N 0 1 270.760 3.786 20 0 CHADMN CCCc1cccc(CNCc2ccc(C)c(C)n2)c1 ZINC000459677445 331293803 /nfs/dbraw/zinc/29/38/03/331293803.db2.gz VILYKFUJASWKLP-UHFFFAOYSA-N 0 1 268.404 3.941 20 0 CHADMN CCCc1noc(CN(C)[C@@H]2CCC[C@H]2c2ccccc2)n1 ZINC000459682465 331294155 /nfs/dbraw/zinc/29/41/55/331294155.db2.gz YRZQBCHTBVURAX-JKSUJKDBSA-N 0 1 299.418 3.790 20 0 CHADMN CC(C)n1ccc(CN(C)[C@@H](C)Cc2cccc(F)c2)n1 ZINC000459750875 331298252 /nfs/dbraw/zinc/29/82/52/331298252.db2.gz ANSSYJQJHVJKHO-AWEZNQCLSA-N 0 1 289.398 3.666 20 0 CHADMN C[C@H](Cc1cccc(F)c1)N(C)Cc1ncc(C2CC2)o1 ZINC000459770806 331299863 /nfs/dbraw/zinc/29/98/63/331299863.db2.gz SJTKNYFQKHVKNG-GFCCVEGCSA-N 0 1 288.366 3.754 20 0 CHADMN CCS[C@H](C)c1noc(CNC2(C3CCC3)CCC2)n1 ZINC000459777865 331300334 /nfs/dbraw/zinc/30/03/34/331300334.db2.gz SPOJPFVQCLRNEM-LLVKDONJSA-N 0 1 295.452 3.696 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc2ccccc21)c1ccn(C)n1 ZINC000459779482 331300585 /nfs/dbraw/zinc/30/05/85/331300585.db2.gz FZBLAURZRVCMEA-ZIAGYGMSSA-N 0 1 279.387 3.985 20 0 CHADMN C[C@@H](N[C@H]1CCC(C)(C)c2ccccc21)c1ccn(C)n1 ZINC000459788430 331301008 /nfs/dbraw/zinc/30/10/08/331301008.db2.gz LPMOBSRBLVSUCV-DYVFJYSZSA-N 0 1 283.419 3.883 20 0 CHADMN CC(C)[C@H]1N(Cc2cn3cccnc3n2)CC12CCCCC2 ZINC000459793939 331301399 /nfs/dbraw/zinc/30/13/99/331301399.db2.gz UEBAYKQAQXPPER-MRXNPFEDSA-N 0 1 298.434 3.520 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1nc(C2CC2)no1)C1CCC1 ZINC000459803710 331301697 /nfs/dbraw/zinc/30/16/97/331301697.db2.gz OCOLFCUWMGGMMF-GXFFZTMASA-N 0 1 263.385 3.566 20 0 CHADMN CCC[C@H](N[C@@H](C)c1nc(C2CC2)no1)C1CCC1 ZINC000459803709 331301716 /nfs/dbraw/zinc/30/17/16/331301716.db2.gz OCOLFCUWMGGMMF-GWCFXTLKSA-N 0 1 263.385 3.566 20 0 CHADMN C[C@@H]1CN(Cc2sc3ccccc3c2Cl)CC[C@@H]1O ZINC000167169842 331307922 /nfs/dbraw/zinc/30/79/22/331307922.db2.gz UBNSAYCNCVBNHQ-PWSUYJOCSA-N 0 1 295.835 3.757 20 0 CHADMN CC(C)[C@@H](O)CN[C@H](C)c1cc(Cl)sc1Cl ZINC000167775362 331308483 /nfs/dbraw/zinc/30/84/83/331308483.db2.gz PUGNOTCSPVTRRD-APPZFPTMSA-N 0 1 282.236 3.722 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)[C@@H](c1ccccc1)C1CC1 ZINC000498178373 331311048 /nfs/dbraw/zinc/31/10/48/331311048.db2.gz MOHLQJHXSQUXCU-KRWDZBQOSA-N 0 1 291.354 3.695 20 0 CHADMN CCCc1csc(CN(CC)CC(C)(C)C)n1 ZINC000462824097 331331258 /nfs/dbraw/zinc/33/12/58/331331258.db2.gz ALIVNNQSUBXIST-UHFFFAOYSA-N 0 1 254.443 3.964 20 0 CHADMN CCC[C@@H](C(=O)Nc1cccc(C2CCC2)c1)N(C)C ZINC000462723603 331325671 /nfs/dbraw/zinc/32/56/71/331325671.db2.gz TXCOBMWLMAQYTE-INIZCTEOSA-N 0 1 274.408 3.623 20 0 CHADMN Cc1cccc(O[C@@H](C)CNCc2c(F)cccc2F)c1 ZINC000462744731 331326999 /nfs/dbraw/zinc/32/69/99/331326999.db2.gz ZWZBSRDRAZRPKL-ZDUSSCGKSA-N 0 1 291.341 3.830 20 0 CHADMN c1ccc2c(c1)nccc2N1CCOC2(CCCCC2)C1 ZINC000462899598 331334324 /nfs/dbraw/zinc/33/43/24/331334324.db2.gz AKGQFMGHKCWRIK-UHFFFAOYSA-N 0 1 282.387 3.774 20 0 CHADMN CCOC[C@@H]1CCC[C@@H]1Nc1cc2c(cn1)CCCC2 ZINC000462942924 331335552 /nfs/dbraw/zinc/33/55/52/331335552.db2.gz CUDQYCQJIIKKKD-HOTGVXAUSA-N 0 1 274.408 3.578 20 0 CHADMN FCC[C@@H]1CCC[C@H]1Nc1cc2c(cn1)CCCC2 ZINC000462961587 331336080 /nfs/dbraw/zinc/33/60/80/331336080.db2.gz FVDUBIPCSYNTGV-SWLSCSKDSA-N 0 1 262.372 3.901 20 0 CHADMN c1ccc([C@@H]2C[C@H]2CN2CCOC3(CCCCC3)C2)cc1 ZINC000463109482 331340656 /nfs/dbraw/zinc/34/06/56/331340656.db2.gz WGTOFELWHLFIBU-ROUUACIJSA-N 0 1 285.431 3.825 20 0 CHADMN CCN(Cc1ccn(C2CCCC2)n1)CC(C)(C)C ZINC000463357255 331346490 /nfs/dbraw/zinc/34/64/90/331346490.db2.gz AGMKKTUTGSMXBH-UHFFFAOYSA-N 0 1 263.429 3.866 20 0 CHADMN CC(C)c1ccc(-c2noc(CN3CCC[C@@H]3C)n2)cc1 ZINC000464840085 331370674 /nfs/dbraw/zinc/37/06/74/331370674.db2.gz SKMLZGAMPQEALZ-ZDUSSCGKSA-N 0 1 285.391 3.844 20 0 CHADMN C[C@@H]1CN([C@@H]2C=CCCC2)[C@H](c2ccccc2)CO1 ZINC000464848737 331371149 /nfs/dbraw/zinc/37/11/49/331371149.db2.gz XIDSCCUIFFURHV-OIISXLGYSA-N 0 1 257.377 3.557 20 0 CHADMN CC/C=C/CC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000466222042 331391197 /nfs/dbraw/zinc/39/11/97/331391197.db2.gz GRIKKXWNLMINOG-CWDCEQMOSA-N 0 1 296.418 3.965 20 0 CHADMN CC/C=C\CC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000466222043 331391204 /nfs/dbraw/zinc/39/12/04/331391204.db2.gz GRIKKXWNLMINOG-MJSXRHKHSA-N 0 1 296.418 3.965 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1nc(-c2ccccc2Cl)no1 ZINC000466674479 331402289 /nfs/dbraw/zinc/40/22/89/331402289.db2.gz XXAIXUKCSQCWCX-QWRGUYRKSA-N 0 1 291.782 3.763 20 0 CHADMN CCCCOCCN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000471078875 331500502 /nfs/dbraw/zinc/50/05/02/331500502.db2.gz MQCDTSDCMKQXHC-IBGZPJMESA-N 0 1 298.430 3.886 20 0 CHADMN COc1ccc(CCNc2cc(C)ccn2)c(Cl)c1 ZINC000471740401 331518902 /nfs/dbraw/zinc/51/89/02/331518902.db2.gz XASKQKKFXFXKIY-UHFFFAOYSA-N 0 1 276.767 3.707 20 0 CHADMN Cc1cc(N(C)CCCCO)c2cc(Cl)cc(C)c2n1 ZINC000472440160 331536933 /nfs/dbraw/zinc/53/69/33/331536933.db2.gz WKXAJIGUEXGQLL-UHFFFAOYSA-N 0 1 292.810 3.714 20 0 CHADMN CC(C)C1CCN([C@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000472582375 331539107 /nfs/dbraw/zinc/53/91/07/331539107.db2.gz PSHUVUOGQOHUAC-OAHLLOKOSA-N 0 1 298.434 3.696 20 0 CHADMN COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1ccco1 ZINC000474048173 331565415 /nfs/dbraw/zinc/56/54/15/331565415.db2.gz YZOWVYUCYAAOPE-MRXNPFEDSA-N 0 1 271.360 3.800 20 0 CHADMN CCC(C)(C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474423825 331586420 /nfs/dbraw/zinc/58/64/20/331586420.db2.gz AJLUDYDAQRUDPN-UHFFFAOYSA-N 0 1 259.708 3.559 20 0 CHADMN Cc1noc([C@H](C)N[C@H]2CCC[C@@H](CC(C)C)C2)n1 ZINC000475199088 331617614 /nfs/dbraw/zinc/61/76/14/331617614.db2.gz SIDVOHBESZPHTR-UBHSHLNASA-N 0 1 265.401 3.634 20 0 CHADMN CC(C)(C)CC[C@@H](CO)NCc1csc(C(C)(C)C)n1 ZINC000475678082 331641927 /nfs/dbraw/zinc/64/19/27/331641927.db2.gz ICOCMPHOABPPIR-LBPRGKRZSA-N 0 1 298.496 3.717 20 0 CHADMN COc1ccc(CNc2nccn2CC(C)C)c(Cl)c1 ZINC000351567253 533711833 /nfs/dbraw/zinc/71/18/33/533711833.db2.gz HAJZZALPAFCWDL-UHFFFAOYSA-N 0 1 293.798 3.813 20 0 CHADMN Fc1ccc(CCCCNCc2cscn2)cc1F ZINC000479410748 331727809 /nfs/dbraw/zinc/72/78/09/331727809.db2.gz HQOQIVBBINSVGE-UHFFFAOYSA-N 0 1 282.359 3.534 20 0 CHADMN C[C@H](CNCc1nc2c(s1)C[C@@H](C)CC2)C(F)(F)F ZINC000479603372 331740218 /nfs/dbraw/zinc/74/02/18/331740218.db2.gz CTAYYCOYPJJPNE-DTWKUNHWSA-N 0 1 292.370 3.556 20 0 CHADMN CC(C)CC[C@H](O)CN[C@@H](C)c1c(F)cccc1Cl ZINC000482821446 331847493 /nfs/dbraw/zinc/84/74/93/331847493.db2.gz OVCALLCBVTZHJW-RYUDHWBXSA-N 0 1 287.806 3.927 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2CC[C@H](C)[C@H](C)C2)no1 ZINC000483306319 331868296 /nfs/dbraw/zinc/86/82/96/331868296.db2.gz HLUBEBFNMPWNDD-NWANDNLSSA-N 0 1 299.418 3.959 20 0 CHADMN CCC[C@@H](C)CNCc1noc(-c2ccccc2C)n1 ZINC000483329613 331869902 /nfs/dbraw/zinc/86/99/02/331869902.db2.gz YYOGLPLZVGIMFL-GFCCVEGCSA-N 0 1 273.380 3.571 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(F)cn1 ZINC000484805499 331905195 /nfs/dbraw/zinc/90/51/95/331905195.db2.gz AICIBXIFRRDTRY-PIGZYNQJSA-N 0 1 288.341 3.773 20 0 CHADMN Fc1ccc2c(c1)nccc2N[C@@H]1CCOC2(CCC2)C1 ZINC000486914806 331949368 /nfs/dbraw/zinc/94/93/68/331949368.db2.gz PFAOYDQMHWJUGB-CYBMUJFWSA-N 0 1 286.350 3.888 20 0 CHADMN COc1ccc([C@H](C)NC/C=C(/C)Cl)cc1F ZINC000528428830 333436420 /nfs/dbraw/zinc/43/64/20/333436420.db2.gz BOEXZJFFGNEMSB-MBACFSSFSA-N 0 1 257.736 3.628 20 0 CHADMN CC(C)[C@@H]1C[C@@H](NCc2nc(C3CC3)cs2)CS1 ZINC000488414488 332005610 /nfs/dbraw/zinc/00/56/10/332005610.db2.gz GRIXNSHOKGDBAE-YPMHNXCESA-N 0 1 282.478 3.640 20 0 CHADMN CCN(CCc1ccccc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000488526185 332015733 /nfs/dbraw/zinc/01/57/33/332015733.db2.gz FJEJRXKEYHMIMB-MRXNPFEDSA-N 0 1 296.414 3.578 20 0 CHADMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1ccc(Cl)s1 ZINC000488894028 332032673 /nfs/dbraw/zinc/03/26/73/332032673.db2.gz SRAFXDHRBWYCQC-UHFFFAOYSA-N 0 1 295.726 3.669 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C[C@H](C)CC(C)C)n[nH]1 ZINC000489212821 332043519 /nfs/dbraw/zinc/04/35/19/332043519.db2.gz BEPNCIVVAXVXJP-FRRDWIJNSA-N 0 1 294.443 3.568 20 0 CHADMN C[C@H]1CN(CCCSc2ccccc2Cl)CCO1 ZINC000489577599 332060292 /nfs/dbraw/zinc/06/02/92/332060292.db2.gz NLKRSTSQPRTDCJ-LBPRGKRZSA-N 0 1 285.840 3.543 20 0 CHADMN CCn1c2cccc(F)c2nc1CN(C)CC(C)(C)C ZINC000489598822 332060937 /nfs/dbraw/zinc/06/09/37/332060937.db2.gz SCPGNPQOBVHPEY-UHFFFAOYSA-N 0 1 277.387 3.673 20 0 CHADMN CN(Cc1noc(-c2ccsc2)n1)C1(C)CCCC1 ZINC000489838653 332069885 /nfs/dbraw/zinc/06/98/85/332069885.db2.gz INCIXPCVDKPNSE-UHFFFAOYSA-N 0 1 277.393 3.563 20 0 CHADMN CN(Cc1csc(N(C)C2CC2)n1)C1(C)CCCC1 ZINC000489884000 332071606 /nfs/dbraw/zinc/07/16/06/332071606.db2.gz LJICBZBSSGVXPZ-UHFFFAOYSA-N 0 1 279.453 3.506 20 0 CHADMN CCC[C@@H](C(=O)N1CCN(C)CC12CCCCC2)C(C)C ZINC000489983559 332075675 /nfs/dbraw/zinc/07/56/75/332075675.db2.gz RCQKCRDGZLFWNM-MRXNPFEDSA-N 0 1 294.483 3.536 20 0 CHADMN Cc1ccc(F)cc1CN1CCc2ccsc2C1 ZINC000490592238 332093847 /nfs/dbraw/zinc/09/38/47/332093847.db2.gz RAZPRQGRVNGHLU-UHFFFAOYSA-N 0 1 261.365 3.754 20 0 CHADMN COCc1ccccc1/C=C(\C)CNc1cc(OC)ccn1 ZINC000511840258 332944069 /nfs/dbraw/zinc/94/40/69/332944069.db2.gz AXKRPEXRAPDLBB-GXDHUFHOSA-N 0 1 298.386 3.752 20 0 CHADMN CC(C)(C)c1nc(CN2CC[C@H](C3CC3)C2)cs1 ZINC000491139501 332155091 /nfs/dbraw/zinc/15/50/91/332155091.db2.gz UIXKENBLYFNYFE-LBPRGKRZSA-N 0 1 264.438 3.673 20 0 CHADMN Cc1ccoc1CNCc1ccc(C)cc1-c1ccnn1C ZINC000491501423 332224075 /nfs/dbraw/zinc/22/40/75/332224075.db2.gz XAUJMIQDSPBWSJ-UHFFFAOYSA-N 0 1 295.386 3.587 20 0 CHADMN CCC[C@H](C(=O)Nc1ccc2nc[nH]c2c1)C(C)C ZINC000491761786 332332104 /nfs/dbraw/zinc/33/21/04/332332104.db2.gz ZLZIAYAFSXWOSZ-LBPRGKRZSA-N 0 1 259.353 3.574 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000575412562 335102171 /nfs/dbraw/zinc/10/21/71/335102171.db2.gz FBZOOVNJONCOOV-PJIJBLCYSA-N 0 1 297.398 3.943 20 0 CHADMN CCCN(Cc1ccccc1)Cc1cccc(O)c1OC ZINC000491857145 332372398 /nfs/dbraw/zinc/37/23/98/332372398.db2.gz QFTSLGJPYZPEJR-UHFFFAOYSA-N 0 1 285.387 3.813 20 0 CHADMN C[C@@H](NCc1ccc(Cl)o1)[C@H]1OCCc2sccc21 ZINC000492223096 332388066 /nfs/dbraw/zinc/38/80/66/332388066.db2.gz GYELOWRLGAUWKG-YMTOWFKASA-N 0 1 297.807 3.787 20 0 CHADMN CCSc1cccc(CNCc2ccc(C)cn2)c1 ZINC000492237163 332388493 /nfs/dbraw/zinc/38/84/93/332388493.db2.gz AVEVGLBRPGRMIM-UHFFFAOYSA-N 0 1 272.417 3.792 20 0 CHADMN Cc1cccc2ncc(CNC(C)(C)c3ccccc3F)n21 ZINC000492332643 332392975 /nfs/dbraw/zinc/39/29/75/332392975.db2.gz HQPQVAOBSUHJMI-UHFFFAOYSA-N 0 1 297.377 3.807 20 0 CHADMN CC=C(C=CC(=O)Nc1c(C)n[nH]c1C(F)F)CC ZINC000492453105 332398137 /nfs/dbraw/zinc/39/81/37/332398137.db2.gz FTGSGHPWHZOGAR-WSISTYIOSA-N 0 1 269.295 3.507 20 0 CHADMN O=C(/C=C\c1ccsc1)Nc1cc(Cl)c(O)cc1F ZINC000493682149 332449814 /nfs/dbraw/zinc/44/98/14/332449814.db2.gz ALGDRZXDUBVTDU-UPHRSURJSA-N 0 1 297.738 3.898 20 0 CHADMN CCN(Cc1c(C)nsc1C)Cc1ccccc1 ZINC000575739722 335110344 /nfs/dbraw/zinc/11/03/44/335110344.db2.gz XRVRMDQHWULKPO-UHFFFAOYSA-N 0 1 260.406 3.782 20 0 CHADMN Fc1cncc(CNCc2ccc(-c3ccncc3)cc2)c1 ZINC000494565055 332478087 /nfs/dbraw/zinc/47/80/87/332478087.db2.gz RRZKISNQORHTTN-UHFFFAOYSA-N 0 1 293.345 3.573 20 0 CHADMN CC[C@H](CN[C@H](C)c1ncc(C)o1)c1ccccc1 ZINC000500423946 332608220 /nfs/dbraw/zinc/60/82/20/332608220.db2.gz UOWUPWUTPRIZSC-ZIAGYGMSSA-N 0 1 258.365 3.827 20 0 CHADMN CC[C@@H]1C[C@]1(NCc1cncs1)c1cccc(C)c1 ZINC000500479960 332610803 /nfs/dbraw/zinc/61/08/03/332610803.db2.gz CZOFFAZBEJTYCW-CZUORRHYSA-N 0 1 272.417 3.867 20 0 CHADMN CC1(C)CC(CC(=O)Nc2cc(F)cc(Cl)c2O)C1 ZINC000500648363 332615094 /nfs/dbraw/zinc/61/50/94/332615094.db2.gz DMWGONGQJYOZOV-UHFFFAOYSA-N 0 1 285.746 3.950 20 0 CHADMN Cc1cc([C@H](C)N[C@H](c2ccc(C)cc2)C2CC2)nn1C ZINC000502394392 332656247 /nfs/dbraw/zinc/65/62/47/332656247.db2.gz UPZKEOQTPQEVGA-KBXCAEBGSA-N 0 1 283.419 3.839 20 0 CHADMN CC[C@@H]1C[C@@]1(NCc1ccc(OC)cn1)c1cccc(C)c1 ZINC000502562099 332665631 /nfs/dbraw/zinc/66/56/31/332665631.db2.gz FUVZQXWYEKFNKI-BEFAXECRSA-N 0 1 296.414 3.814 20 0 CHADMN Cc1nccc(N[C@@H](C)CCCC(F)(F)F)c1Cl ZINC000503573140 332692833 /nfs/dbraw/zinc/69/28/33/332692833.db2.gz JOZVIDDFTNFKBC-QMMMGPOBSA-N 0 1 280.721 3.998 20 0 CHADMN C[C@H]1CCc2nc(CN3CCCCCC3)sc2C1 ZINC000505461898 332741081 /nfs/dbraw/zinc/74/10/81/332741081.db2.gz NJBBQSLXMOCVMB-LBPRGKRZSA-N 0 1 264.438 3.644 20 0 CHADMN C[C@@H]1CCc2nc(CN3CCCCCC3)sc2C1 ZINC000505461897 332741166 /nfs/dbraw/zinc/74/11/66/332741166.db2.gz NJBBQSLXMOCVMB-GFCCVEGCSA-N 0 1 264.438 3.644 20 0 CHADMN Cc1cnc(CN[C@H](c2ccc(Cl)cc2)C(C)C)cn1 ZINC000505612797 332746636 /nfs/dbraw/zinc/74/66/36/332746636.db2.gz UCCQOBVGXZETGP-INIZCTEOSA-N 0 1 289.810 3.925 20 0 CHADMN CN(CCCc1cccc2ccccc21)Cc1cnccn1 ZINC000174642106 333004902 /nfs/dbraw/zinc/00/49/02/333004902.db2.gz IUXDAMBTOKEWLK-UHFFFAOYSA-N 0 1 291.398 3.694 20 0 CHADMN CCc1nocc1CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000513181709 333007158 /nfs/dbraw/zinc/00/71/58/333007158.db2.gz BZKJWUFQZBDETG-GFCCVEGCSA-N 0 1 290.329 3.647 20 0 CHADMN CCc1ccccc1CCN[C@@H](C)c1c(F)cncc1F ZINC000513257670 333011290 /nfs/dbraw/zinc/01/12/90/333011290.db2.gz SOLXUMXJECDWGB-LBPRGKRZSA-N 0 1 290.357 3.816 20 0 CHADMN C[C@@H]1CN(C/C=C/c2ccc(Cl)cc2)CCS1 ZINC000513376836 333016171 /nfs/dbraw/zinc/01/61/71/333016171.db2.gz QIFOFFLFSORZDO-QAVQXKDTSA-N 0 1 267.825 3.791 20 0 CHADMN CCC(CC)CN(Cc1cc[nH]n1)Cc1ccccc1 ZINC000513410709 333017914 /nfs/dbraw/zinc/01/79/14/333017914.db2.gz FNUWCNRZECOIRB-UHFFFAOYSA-N 0 1 271.408 3.848 20 0 CHADMN CC[C@@H](C)CN(CC)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000176618129 333044376 /nfs/dbraw/zinc/04/43/76/333044376.db2.gz QZYURQOXUBESDF-CYBMUJFWSA-N 0 1 285.391 3.585 20 0 CHADMN CC[C@H](C)CN(CC)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000176618144 333044396 /nfs/dbraw/zinc/04/43/96/333044396.db2.gz QZYURQOXUBESDF-ZDUSSCGKSA-N 0 1 285.391 3.585 20 0 CHADMN C[C@H]1CCCN(Cc2cc(F)ccc2Br)C1 ZINC000309538445 333045264 /nfs/dbraw/zinc/04/52/64/333045264.db2.gz FTLVQNACQAKORR-JTQLQIEISA-N 0 1 286.188 3.820 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1ccc(Cl)o1 ZINC000513873228 333045462 /nfs/dbraw/zinc/04/54/62/333045462.db2.gz VCQHQPASTDSSIU-CYBMUJFWSA-N 0 1 265.715 3.849 20 0 CHADMN Cc1ccoc1CNCc1ccc(Br)c(C)c1 ZINC000310288333 333056585 /nfs/dbraw/zinc/05/65/85/333056585.db2.gz YIPKURBEHJSKBG-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H]1C ZINC000177910753 333065551 /nfs/dbraw/zinc/06/55/51/333065551.db2.gz DCUIEFATBLNMMD-DRZSPHRISA-N 0 1 294.826 3.706 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCCC(=O)[O-] ZINC000086802044 333069889 /nfs/dbraw/zinc/06/98/89/333069889.db2.gz QWRQNVZQVBJDSO-CYBMUJFWSA-N 0 1 277.408 3.842 20 0 CHADMN CCCC[C@H](CC)Cc1nc(C2(N)CCCC2)no1 ZINC000516769467 333082220 /nfs/dbraw/zinc/08/22/20/333082220.db2.gz YMGNKYXWMHMQBA-LBPRGKRZSA-N 0 1 265.401 3.557 20 0 CHADMN Cc1oc(C[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)cc1C(=O)[O-] ZINC000516777311 333082385 /nfs/dbraw/zinc/08/23/85/333082385.db2.gz VQQOCQCOMSXUPO-DOMZBBRYSA-N 0 1 299.370 3.664 20 0 CHADMN CC[N@H+](Cc1occc1C(=O)[O-])Cc1ccccc1Cl ZINC000516777220 333082449 /nfs/dbraw/zinc/08/24/49/333082449.db2.gz QVDFZXDTSXVUHU-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN CC[N@@H+](Cc1occc1C(=O)[O-])Cc1ccccc1Cl ZINC000516777220 333082450 /nfs/dbraw/zinc/08/24/50/333082450.db2.gz QVDFZXDTSXVUHU-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN Cc1ccc(CN[C@H]2c3ccccc3O[C@@H]2C)c(C)c1 ZINC000516890204 333085378 /nfs/dbraw/zinc/08/53/78/333085378.db2.gz SRDPEIHVWWLEPE-RDTXWAMCSA-N 0 1 267.372 3.915 20 0 CHADMN CC1(C)C[N@@H+](Cc2cc(F)cc(F)c2)[C@H]1C1CC1 ZINC000517001956 333089354 /nfs/dbraw/zinc/08/93/54/333089354.db2.gz AOWYVRDYGWYYML-AWEZNQCLSA-N 0 1 251.320 3.585 20 0 CHADMN CC1(C)CN(Cc2cc(F)cc(F)c2)[C@H]1C1CC1 ZINC000517001956 333089356 /nfs/dbraw/zinc/08/93/56/333089356.db2.gz AOWYVRDYGWYYML-AWEZNQCLSA-N 0 1 251.320 3.585 20 0 CHADMN Cc1oc(C[N@@H+]2CCCC[C@H]2CC(C)C)cc1C(=O)[O-] ZINC000517160740 333093661 /nfs/dbraw/zinc/09/36/61/333093661.db2.gz HDBHOFNYYAGXMX-ZDUSSCGKSA-N 0 1 279.380 3.687 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2CCC(C)(C)CC(=O)[O-])o1 ZINC000517160411 333093664 /nfs/dbraw/zinc/09/36/64/333093664.db2.gz FOGNTCBEEQWSSJ-ZDUSSCGKSA-N 0 1 279.380 3.616 20 0 CHADMN FC1(CN(Cc2ccc(Cl)cc2)C2CC2)CC1 ZINC000517210362 333094963 /nfs/dbraw/zinc/09/49/63/333094963.db2.gz ZZGUDGSTDQGDTG-UHFFFAOYSA-N 0 1 253.748 3.807 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2cscc2Br)C1 ZINC000517262593 333096188 /nfs/dbraw/zinc/09/61/88/333096188.db2.gz XKAQVNPFGXMDIK-BDAKNGLRSA-N 0 1 274.227 3.741 20 0 CHADMN CCn1c2ccccc2nc1CN(C)C1CC(C)(C)C1 ZINC000517314535 333097398 /nfs/dbraw/zinc/09/73/98/333097398.db2.gz YTEHNLPNEYXNBV-UHFFFAOYSA-N 0 1 271.408 3.677 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000520841607 333097764 /nfs/dbraw/zinc/09/77/64/333097764.db2.gz XMURZJGQVRLWEX-SJORKVTESA-N 0 1 289.419 3.682 20 0 CHADMN CC(C)c1cc(C(=O)N(CC2CCCCC2)C2CC2)n[nH]1 ZINC000517474615 333100037 /nfs/dbraw/zinc/10/00/37/333100037.db2.gz KIXQLQRGOPGUFS-UHFFFAOYSA-N 0 1 289.423 3.718 20 0 CHADMN Cc1ccc2nc(S[C@H](C)c3cnc(C)cn3)[nH]c2c1 ZINC000517469508 333100171 /nfs/dbraw/zinc/10/01/71/333100171.db2.gz MAYSCRMXGCSGJK-LLVKDONJSA-N 0 1 284.388 3.823 20 0 CHADMN Cc1cc(C)cc(OCCNCc2cc(F)ccc2F)c1 ZINC000517534783 333101287 /nfs/dbraw/zinc/10/12/87/333101287.db2.gz DEPRUCXLSIOUCG-UHFFFAOYSA-N 0 1 291.341 3.750 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H](C)[C@H]2CC2(C)C)no1 ZINC000517655452 333105225 /nfs/dbraw/zinc/10/52/25/333105225.db2.gz QTFOCQRYTMVYGM-GXTWGEPZSA-N 0 1 285.391 3.569 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H](C)[C@@H]2CC2(C)C)no1 ZINC000517655454 333105241 /nfs/dbraw/zinc/10/52/41/333105241.db2.gz QTFOCQRYTMVYGM-OCCSQVGLSA-N 0 1 285.391 3.569 20 0 CHADMN CC(C)CN(Cc1ccccc1)C(=O)c1cc(C(C)C)[nH]n1 ZINC000521142401 333112312 /nfs/dbraw/zinc/11/23/12/333112312.db2.gz MHXGVBRDDMZYSI-UHFFFAOYSA-N 0 1 299.418 3.832 20 0 CHADMN CC(C)CCN(C(=O)c1cc(C(C)C)[nH]n1)C1CCCC1 ZINC000521144843 333112514 /nfs/dbraw/zinc/11/25/14/333112514.db2.gz NDCNUAFYTZMHNQ-UHFFFAOYSA-N 0 1 291.439 3.964 20 0 CHADMN CCc1cc(CN[C@H]2CCCc3c4ccccc4[nH]c32)on1 ZINC000564147251 333113082 /nfs/dbraw/zinc/11/30/82/333113082.db2.gz GZSVSAJNKBDWJL-KRWDZBQOSA-N 0 1 295.386 3.886 20 0 CHADMN Cc1cncc([C@H](C)NCc2ccccc2OC(F)F)c1 ZINC000184264826 333126389 /nfs/dbraw/zinc/12/63/89/333126389.db2.gz OIUHFODZKVDKJM-LBPRGKRZSA-N 0 1 292.329 3.842 20 0 CHADMN CC[C@H](N[C@H](C)c1cncc(C)c1)c1c(C)noc1C ZINC000184422867 333128529 /nfs/dbraw/zinc/12/85/29/333128529.db2.gz QBDTVOVUYIPESO-ABAIWWIYSA-N 0 1 273.380 3.797 20 0 CHADMN CC/C=C/CCN(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000184472684 333129171 /nfs/dbraw/zinc/12/91/71/333129171.db2.gz MQOXKFSJJKUQTB-BQYQJAHWSA-N 0 1 288.435 3.838 20 0 CHADMN CSc1ccc([C@@H](C)N[C@@H](C)c2nccnc2C)cc1 ZINC000219115504 333142013 /nfs/dbraw/zinc/14/20/13/333142013.db2.gz JBVCLEFGHUIFPU-YPMHNXCESA-N 0 1 287.432 3.919 20 0 CHADMN CN(Cc1cscn1)CC1CCC(C(F)(F)F)CC1 ZINC000185504811 333142032 /nfs/dbraw/zinc/14/20/32/333142032.db2.gz JRCCZZCQWYZGJN-UHFFFAOYSA-N 0 1 292.370 3.944 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@H](O)C2CCCCC2)cs1 ZINC000186313884 333158355 /nfs/dbraw/zinc/15/83/55/333158355.db2.gz NLHMOYIHIXSQFM-WFASDCNBSA-N 0 1 296.480 3.858 20 0 CHADMN CC(C)c1nc([C@@H](C)NCCc2cscn2)cs1 ZINC000186390631 333159909 /nfs/dbraw/zinc/15/99/09/333159909.db2.gz NKKVRMAZWMTKSG-SNVBAGLBSA-N 0 1 281.450 3.616 20 0 CHADMN CCC[C@H](C)CNCc1cc(COC(C)(C)C)on1 ZINC000186420512 333160369 /nfs/dbraw/zinc/16/03/69/333160369.db2.gz RGJIXJITWBOADW-LBPRGKRZSA-N 0 1 268.401 3.516 20 0 CHADMN Cc1cc([C@H](C)N[C@H](CCO)c2ccco2)c(C)s1 ZINC000186529432 333162418 /nfs/dbraw/zinc/16/24/18/333162418.db2.gz OPXSNCLKDJZSTR-SMDDNHRTSA-N 0 1 279.405 3.732 20 0 CHADMN Cc1cc(CSc2nc(C)c(-c3ccccc3)[nH]2)no1 ZINC000187129003 333168127 /nfs/dbraw/zinc/16/81/27/333168127.db2.gz ZADZTTQRDBOXHM-UHFFFAOYSA-N 0 1 285.372 3.974 20 0 CHADMN Oc1cccc(CN2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000187592979 333172795 /nfs/dbraw/zinc/17/27/95/333172795.db2.gz ZRFHWKUPYQAGPE-CYBMUJFWSA-N 0 1 289.325 3.660 20 0 CHADMN C[C@@H](C(=O)OC(C)(C)C)N(CC1CCCCC1)C1CC1 ZINC000521515865 333175153 /nfs/dbraw/zinc/17/51/53/333175153.db2.gz JXVXEQYXAUVQNC-ZDUSSCGKSA-N 0 1 281.440 3.761 20 0 CHADMN C(C[C@H]1CCCO1)Sc1nnc(CCC2CCCC2)[nH]1 ZINC000188909657 333175849 /nfs/dbraw/zinc/17/58/49/333175849.db2.gz LSKJKCZVSMPUGE-CYBMUJFWSA-N 0 1 295.452 3.589 20 0 CHADMN C(C[C@H]1CCCO1)Sc1nc(CCC2CCCC2)n[nH]1 ZINC000188909657 333175850 /nfs/dbraw/zinc/17/58/50/333175850.db2.gz LSKJKCZVSMPUGE-CYBMUJFWSA-N 0 1 295.452 3.589 20 0 CHADMN Fc1cc(Cl)ccc1CNCc1ccc2c[nH]nc2c1 ZINC000189189912 333183988 /nfs/dbraw/zinc/18/39/88/333183988.db2.gz GODQFEJFGRQVQL-UHFFFAOYSA-N 0 1 289.741 3.645 20 0 CHADMN Cc1cc(CNCc2cncn2C)ccc1-c1ccccc1 ZINC000189507619 333194146 /nfs/dbraw/zinc/19/41/46/333194146.db2.gz VPQGPZFNZICIKX-UHFFFAOYSA-N 0 1 291.398 3.685 20 0 CHADMN Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000222509204 333195252 /nfs/dbraw/zinc/19/52/52/333195252.db2.gz ZXFIALIBYHDKMJ-UWVGGRQHSA-N 0 1 292.452 3.884 20 0 CHADMN CC(C)N(Cc1ccn(-c2ccc(F)cc2F)n1)C1CC1 ZINC000190188736 333204242 /nfs/dbraw/zinc/20/42/42/333204242.db2.gz UNBPGDVTHGSPSM-UHFFFAOYSA-N 0 1 291.345 3.523 20 0 CHADMN c1c(C[N@H+]2CCCC3(CCCCC3)CC2)nc2ncccn12 ZINC000190319824 333205520 /nfs/dbraw/zinc/20/55/20/333205520.db2.gz PQTLUCSTZUAUBG-UHFFFAOYSA-N 0 1 298.434 3.666 20 0 CHADMN c1c(CN2CCCC3(CCCCC3)CC2)nc2ncccn12 ZINC000190319824 333205521 /nfs/dbraw/zinc/20/55/21/333205521.db2.gz PQTLUCSTZUAUBG-UHFFFAOYSA-N 0 1 298.434 3.666 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CCC[C@H](C)[C@H]1C ZINC000172855093 335123560 /nfs/dbraw/zinc/12/35/60/335123560.db2.gz ZPROSPITPQUCDM-LSDHHAIUSA-N 0 1 288.435 3.869 20 0 CHADMN C[C@@H](CCN1CCO[C@H](c2ccco2)C1)c1ccccc1 ZINC000191087933 333214940 /nfs/dbraw/zinc/21/49/40/333214940.db2.gz CVNNMALIQYBEHT-YJBOKZPZSA-N 0 1 285.387 3.847 20 0 CHADMN C[C@H](CCN1CCO[C@H](c2ccco2)C1)c1ccccc1 ZINC000191087947 333215042 /nfs/dbraw/zinc/21/50/42/333215042.db2.gz CVNNMALIQYBEHT-QAPCUYQASA-N 0 1 285.387 3.847 20 0 CHADMN CO[C@@H](C)[C@H](C)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000191657835 333223132 /nfs/dbraw/zinc/22/31/32/333223132.db2.gz AFJDJZJSCVACGI-XQQFMLRXSA-N 0 1 290.432 3.884 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000521938556 333224137 /nfs/dbraw/zinc/22/41/37/333224137.db2.gz IRTMPALWBQUYGJ-CYBMUJFWSA-N 0 1 264.413 3.984 20 0 CHADMN CC[C@@H]1CCCN(Cc2ncc(C(C)(C)C)o2)CC1 ZINC000521938556 333224139 /nfs/dbraw/zinc/22/41/39/333224139.db2.gz IRTMPALWBQUYGJ-CYBMUJFWSA-N 0 1 264.413 3.984 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](NCc1cnccn1)CCC2 ZINC000521979619 333229100 /nfs/dbraw/zinc/22/91/00/333229100.db2.gz VTHXLESEGUZYIW-SFHVURJKSA-N 0 1 281.403 3.767 20 0 CHADMN C[C@@H]1CCN(Cc2ccccc2OC(F)F)CCS1 ZINC000192175868 333231474 /nfs/dbraw/zinc/23/14/74/333231474.db2.gz FMLNPBWCMBFBFC-LLVKDONJSA-N 0 1 287.375 3.615 20 0 CHADMN COC[C@H](NC/C(C)=C/c1ccccc1)c1ccc(C)o1 ZINC000192691396 333237758 /nfs/dbraw/zinc/23/77/58/333237758.db2.gz LDNATJKGFOFWID-WKOYGUFESA-N 0 1 285.387 3.969 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@@H]2COCc3ccccc32)s1 ZINC000225994209 333244742 /nfs/dbraw/zinc/24/47/42/333244742.db2.gz SDUFYLFZLAUXHT-IAQYHMDHSA-N 0 1 288.416 3.682 20 0 CHADMN COc1ccc([C@@H](C)N[C@H]2COCc3ccccc32)cc1 ZINC000226003735 333245269 /nfs/dbraw/zinc/24/52/69/333245269.db2.gz RRAZSSFRUBITBY-ACJLOTCBSA-N 0 1 283.371 3.617 20 0 CHADMN COc1ncccc1CNC1(c2cccc(C)c2)CCCC1 ZINC000193424843 333249854 /nfs/dbraw/zinc/24/98/54/333249854.db2.gz GTUNQAALZFTRRZ-UHFFFAOYSA-N 0 1 296.414 3.958 20 0 CHADMN Cc1cc(NCCCOC(F)F)c2cc(F)ccc2n1 ZINC000193614854 333254218 /nfs/dbraw/zinc/25/42/18/333254218.db2.gz FNVDEBVUOYDMNL-UHFFFAOYSA-N 0 1 284.281 3.724 20 0 CHADMN C[C@@H](NCc1ccc(CO)cc1)c1ccc(F)cc1Cl ZINC000226560830 333264727 /nfs/dbraw/zinc/26/47/27/333264727.db2.gz RALFAOQNTXDNEC-LLVKDONJSA-N 0 1 293.769 3.822 20 0 CHADMN C[C@@H]1CCN(C(=O)c2cccc3c[nH]nc32)c2ccccc21 ZINC000194603323 333273019 /nfs/dbraw/zinc/27/30/19/333273019.db2.gz UJCTXBWKPAUOPU-GFCCVEGCSA-N 0 1 291.354 3.717 20 0 CHADMN COC(=O)[C@H](N[C@H](CCC(C)C)C(C)(C)C)C(C)C ZINC000522386999 333285780 /nfs/dbraw/zinc/28/57/80/333285780.db2.gz RGRIIKIVINTRSL-ZIAGYGMSSA-N 0 1 271.445 3.625 20 0 CHADMN COC(=O)[C@@H](N[C@@H](CCC(C)C)C(C)(C)C)C(C)C ZINC000522386996 333285868 /nfs/dbraw/zinc/28/58/68/333285868.db2.gz RGRIIKIVINTRSL-KBPBESRZSA-N 0 1 271.445 3.625 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000227818426 333288855 /nfs/dbraw/zinc/28/88/55/333288855.db2.gz JIRQOEOVINUFAT-DVOMOZLQSA-N 0 1 275.392 3.524 20 0 CHADMN CCC1CCC(N(C)C(=O)c2c(O)cccc2F)CC1 ZINC000228856384 333297994 /nfs/dbraw/zinc/29/79/94/333297994.db2.gz NFOZWRJBULSQRQ-UHFFFAOYSA-N 0 1 279.355 3.572 20 0 CHADMN Brc1ccsc1CN[C@H]1C=CCCC1 ZINC000231380551 333324740 /nfs/dbraw/zinc/32/47/40/333324740.db2.gz RGZIQUFUWZADRO-VIFPVBQESA-N 0 1 272.211 3.709 20 0 CHADMN CC[C@@H]1CCCCCN1CC(=O)Nc1cc(F)ccc1F ZINC000523553376 333332964 /nfs/dbraw/zinc/33/29/64/333332964.db2.gz ZZRXSKZTOGNIOU-CYBMUJFWSA-N 0 1 296.361 3.558 20 0 CHADMN CC[C@H]1CN(CCOc2ccc3ccccc3c2)C[C@H](C)O1 ZINC000523582649 333333447 /nfs/dbraw/zinc/33/34/47/333333447.db2.gz ARYIEWRNPVXTFD-YJBOKZPZSA-N 0 1 299.414 3.718 20 0 CHADMN CCc1nc(CN2CCC[C@H](C(C)C)CC2)cs1 ZINC000303570734 333344071 /nfs/dbraw/zinc/34/40/71/333344071.db2.gz BNHUENYUUWSDQG-ZDUSSCGKSA-N 0 1 266.454 3.964 20 0 CHADMN CCCOc1ccccc1NCc1ccc2nc[nH]c2c1 ZINC000524457864 333362534 /nfs/dbraw/zinc/36/25/34/333362534.db2.gz HPNKJKBACNNXBO-UHFFFAOYSA-N 0 1 281.359 3.964 20 0 CHADMN CCC[C@H]1CCCC[C@@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000524518403 333364362 /nfs/dbraw/zinc/36/43/62/333364362.db2.gz ZUJABRFEWKOVBQ-JSGCOSHPSA-N 0 1 285.391 3.652 20 0 CHADMN C[N@H+](C/C=C\c1ccccc1)CCCC(=O)OC(C)(C)C ZINC000524596469 333367934 /nfs/dbraw/zinc/36/79/34/333367934.db2.gz FOGCMGDCVNYXKT-WQLSENKSSA-N 0 1 289.419 3.754 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2ncc(-c3cccs3)o2)C1 ZINC000524892781 333392342 /nfs/dbraw/zinc/39/23/42/333392342.db2.gz MXPWEJJKXJVZGS-QWRGUYRKSA-N 0 1 262.378 3.633 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1C[C@H](C)C[C@H]1C ZINC000524894028 333392735 /nfs/dbraw/zinc/39/27/35/333392735.db2.gz ABQIRAAEXHQMEU-UKRRQHHQSA-N 0 1 288.435 3.787 20 0 CHADMN C[C@@H](N[C@H]1CSC1(C)C)c1ccc(F)cc1F ZINC000338792041 335138681 /nfs/dbraw/zinc/13/86/81/335138681.db2.gz MJWYMNHNOURKNE-PELKAZGASA-N 0 1 257.349 3.509 20 0 CHADMN C[C@@H]1CCCC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000575995389 335139790 /nfs/dbraw/zinc/13/97/90/335139790.db2.gz MSOUNYIRNXDUGD-BXUZGUMPSA-N 0 1 281.783 3.588 20 0 CHADMN CCCc1ccc([C@@H](C)NCc2cnc(C)o2)cc1 ZINC000398048994 333431875 /nfs/dbraw/zinc/43/18/75/333431875.db2.gz DKYSGTYJXKYLQR-GFCCVEGCSA-N 0 1 258.365 3.786 20 0 CHADMN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1csc(C2CCCC2)n1 ZINC000528759700 333455990 /nfs/dbraw/zinc/45/59/90/333455990.db2.gz ZMOCVISCPXPZTN-UUIJZJDISA-N 0 1 294.464 3.702 20 0 CHADMN Cc1c([C@H](C)NCc2cc(C)cc(Cl)c2)cnn1C ZINC000339182199 335142118 /nfs/dbraw/zinc/14/21/18/335142118.db2.gz RQYSIPHIAQBPTN-NSHDSACASA-N 0 1 277.799 3.541 20 0 CHADMN Cc1nocc1CN[C@H](C)c1ccccc1C(F)(F)F ZINC000339205712 335142381 /nfs/dbraw/zinc/14/23/81/335142381.db2.gz NJIIHZPWIXJPIK-SNVBAGLBSA-N 0 1 284.281 3.853 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@H]1CCCC12CC2 ZINC000529381341 333483999 /nfs/dbraw/zinc/48/39/99/333483999.db2.gz FBQKMVQBMWNKFD-MRVPVSSYSA-N 0 1 283.730 3.704 20 0 CHADMN CN(C)Cc1ccc(NCc2ccc(F)cn2)cc1Cl ZINC000529558254 333497746 /nfs/dbraw/zinc/49/77/46/333497746.db2.gz QTYYQSZBLHVTNW-UHFFFAOYSA-N 0 1 293.773 3.548 20 0 CHADMN CC[C@H](NCc1c(F)ccc(F)c1Cl)[C@H](O)C(C)C ZINC000529605983 333500862 /nfs/dbraw/zinc/50/08/62/333500862.db2.gz HCFJKYFQIOWDHW-GXTWGEPZSA-N 0 1 291.769 3.503 20 0 CHADMN CCc1ccc(CN2CC(Cc3ccco3)C2)s1 ZINC000529648713 333503783 /nfs/dbraw/zinc/50/37/83/333503783.db2.gz HXZWTMNVEIIQFB-UHFFFAOYSA-N 0 1 261.390 3.578 20 0 CHADMN C[C@@H](Nc1[nH+]ccc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000530253273 333530515 /nfs/dbraw/zinc/53/05/15/333530515.db2.gz WKCWOGNDBMEWSG-BYCMXARLSA-N 0 1 298.386 3.782 20 0 CHADMN [O-]c1cccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1Cl ZINC000328496583 333533531 /nfs/dbraw/zinc/53/35/31/333533531.db2.gz VBUGNAOWWRJOCL-RYUDHWBXSA-N 0 1 265.784 3.668 20 0 CHADMN Cc1cnn(-c2ccncc2NC/C=C/c2ccccc2)c1 ZINC000538422270 333591611 /nfs/dbraw/zinc/59/16/11/333591611.db2.gz KBGMIJVSCPYZCE-VMPITWQZSA-N 0 1 290.370 3.701 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(C)c(F)c2)nc1 ZINC000127046151 333617112 /nfs/dbraw/zinc/61/71/12/333617112.db2.gz LXSOBSUPCXSUAN-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN COCc1ccc(CNC2(c3ccccc3)CCCC2)o1 ZINC000128109088 333642361 /nfs/dbraw/zinc/64/23/61/333642361.db2.gz NJQGFUFNISWSHY-UHFFFAOYSA-N 0 1 285.387 3.985 20 0 CHADMN c1c[nH]c([C@H](NCC2(C3CC3)CCC2)c2ccccc2)n1 ZINC000128169803 333643857 /nfs/dbraw/zinc/64/38/57/333643857.db2.gz GRHOKEITAYLUMM-MRXNPFEDSA-N 0 1 281.403 3.669 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](CO)c2ccccc2C)cs1 ZINC000576109203 335155651 /nfs/dbraw/zinc/15/56/51/335155651.db2.gz CAPLIFLTNDDKQB-CJNGLKHVSA-N 0 1 275.417 3.749 20 0 CHADMN C[C@@H](N[C@@H](C)c1cscn1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000540221303 333721896 /nfs/dbraw/zinc/72/18/96/333721896.db2.gz UXNKZCZYNPQILO-AZKPJATDSA-N 0 1 288.416 3.747 20 0 CHADMN COc1ccccc1CN(C)CCOc1ccc(C)cc1 ZINC000576128594 335158414 /nfs/dbraw/zinc/15/84/14/335158414.db2.gz LTRDZSSLGOMMTE-UHFFFAOYSA-N 0 1 285.387 3.514 20 0 CHADMN CC[C@H](NCc1cnoc1C)c1ccc(Cl)cc1 ZINC000129720619 333792896 /nfs/dbraw/zinc/79/28/96/333792896.db2.gz ORWJPYYBLBPYRC-AWEZNQCLSA-N 0 1 264.756 3.877 20 0 CHADMN CC(C)CC[C@@H]1CCCN1C(=O)c1c(O)cccc1F ZINC000130223922 333824350 /nfs/dbraw/zinc/82/43/50/333824350.db2.gz FNANQRQUXZMRDO-LBPRGKRZSA-N 0 1 279.355 3.572 20 0 CHADMN CCCCOCCN[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000542582422 333833060 /nfs/dbraw/zinc/83/30/60/333833060.db2.gz GMAKYKQGBUGHRP-LBPRGKRZSA-N 0 1 284.469 3.908 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](C)[C@@H](C)c2ccccc2)o1 ZINC000543468352 333876830 /nfs/dbraw/zinc/87/68/30/333876830.db2.gz ARFOQGUUOIAPRJ-MCIONIFRSA-N 0 1 258.365 3.826 20 0 CHADMN CN(C)Cc1cc(-c2noc(-c3ccccc3)n2)ccc1F ZINC000545027180 333958731 /nfs/dbraw/zinc/95/87/31/333958731.db2.gz UMMJESWNJPNRFZ-UHFFFAOYSA-N 0 1 297.333 3.604 20 0 CHADMN Cc1ncsc1CCN(C)Cc1ccccc1Cl ZINC000074328363 334003810 /nfs/dbraw/zinc/00/38/10/334003810.db2.gz VVKFOOOXDPKJAI-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN C[C@H](CCC1CC1)N[C@@H](c1nccn1C)c1ccccc1 ZINC000545985237 334010777 /nfs/dbraw/zinc/01/07/77/334010777.db2.gz YGDIECDYIUWYKS-RHSMWYFYSA-N 0 1 283.419 3.678 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccsc1)c1ccc(Cl)c(F)c1 ZINC000546017603 334012534 /nfs/dbraw/zinc/01/25/34/334012534.db2.gz DULBHPZDIBAESG-OTYXRUKQSA-N 0 1 299.798 3.925 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)c1cccc2nc[nH]c21 ZINC000074732454 334012843 /nfs/dbraw/zinc/01/28/43/334012843.db2.gz JCFSFBVFMRLHRI-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN Cc1nc(C2(NCC3CCC(C)CC3)CCCC2)no1 ZINC000133012738 334013368 /nfs/dbraw/zinc/01/33/68/334013368.db2.gz FDZBADQKHFZTNC-UHFFFAOYSA-N 0 1 277.412 3.563 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC000074991560 334022195 /nfs/dbraw/zinc/02/21/95/334022195.db2.gz XFWCTQKGRRPZLS-AEGPPILISA-N 0 1 297.402 3.694 20 0 CHADMN CC(C)C[C@@H]1CCN(Cc2nc(-c3cccs3)no2)C1 ZINC000074994289 334022377 /nfs/dbraw/zinc/02/23/77/334022377.db2.gz JQJTYANTTGXZQN-LBPRGKRZSA-N 0 1 291.420 3.666 20 0 CHADMN CC(C)C[C@H]1CCCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000133242646 334029963 /nfs/dbraw/zinc/02/99/63/334029963.db2.gz VQUVHZJFXPMTKV-GFCCVEGCSA-N 0 1 281.783 3.696 20 0 CHADMN Cc1cc(-c2noc(C=CC(C)(C)C)n2)cc2nc[nH]c21 ZINC000546436569 334032507 /nfs/dbraw/zinc/03/25/07/334032507.db2.gz VSWBJNCHPLZSRC-AATRIKPKSA-N 0 1 282.347 3.981 20 0 CHADMN Clc1ccccc1-c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000546455075 334033393 /nfs/dbraw/zinc/03/33/93/334033393.db2.gz JGMAOAOTBJIESX-UHFFFAOYSA-N 0 1 296.717 3.933 20 0 CHADMN CCc1ccc(CN[C@H]2COc3ccc(F)cc32)s1 ZINC000546634605 334042409 /nfs/dbraw/zinc/04/24/09/334042409.db2.gz JAYBNGVYPSEOLW-AWEZNQCLSA-N 0 1 277.364 3.673 20 0 CHADMN O=C(Nc1nc(C2CCC2)n[nH]1)c1cccc2ccsc21 ZINC000546652814 334043759 /nfs/dbraw/zinc/04/37/59/334043759.db2.gz QVFUIRUXPKXTDM-UHFFFAOYSA-N 0 1 298.371 3.539 20 0 CHADMN O=C(Nc1n[nH]c(C2CCC2)n1)c1cccc2ccsc21 ZINC000546652814 334043761 /nfs/dbraw/zinc/04/37/61/334043761.db2.gz QVFUIRUXPKXTDM-UHFFFAOYSA-N 0 1 298.371 3.539 20 0 CHADMN Clc1cnccc1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000075595524 334046260 /nfs/dbraw/zinc/04/62/60/334046260.db2.gz CJIIITDSXWQAJN-MRXNPFEDSA-N 0 1 286.806 3.942 20 0 CHADMN CCCCc1noc(CN[C@H]2CCC[C@H]2c2ccccc2)n1 ZINC000133589052 334046974 /nfs/dbraw/zinc/04/69/74/334046974.db2.gz AMOSJVWTWSFTMZ-HOTGVXAUSA-N 0 1 299.418 3.838 20 0 CHADMN C[C@H](c1ccco1)N(C)Cc1ccccc1N(C)C ZINC000075674470 334048656 /nfs/dbraw/zinc/04/86/56/334048656.db2.gz HNYFEEZEHWLQEY-CYBMUJFWSA-N 0 1 258.365 3.539 20 0 CHADMN CN(CCc1ccccc1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000133642140 334048659 /nfs/dbraw/zinc/04/86/59/334048659.db2.gz IVRCEOBMZGUEGK-UHFFFAOYSA-N 0 1 291.398 3.751 20 0 CHADMN Clc1cnccc1CN(C1CC1)C1CCCC1 ZINC000075718731 334049465 /nfs/dbraw/zinc/04/94/65/334049465.db2.gz RHISDSNTJMNOMA-UHFFFAOYSA-N 0 1 250.773 3.642 20 0 CHADMN CC[C@@H](CC(F)(F)F)NCc1nc2ccccc2n1CC ZINC000546878007 334053121 /nfs/dbraw/zinc/05/31/21/334053121.db2.gz YHSKDVMRYIOZBG-NSHDSACASA-N 0 1 299.340 3.877 20 0 CHADMN CC(C)CC(C)(C)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000547166794 334070427 /nfs/dbraw/zinc/07/04/27/334070427.db2.gz DYYCEEZWPKBXIC-UHFFFAOYSA-N 0 1 284.363 3.937 20 0 CHADMN C[C@H](NCc1cccc2cccnc21)c1ccoc1 ZINC000134043499 334078489 /nfs/dbraw/zinc/07/84/89/334078489.db2.gz XBHWKPVSGPIINT-LBPRGKRZSA-N 0 1 252.317 3.679 20 0 CHADMN CO[C@]1(C)C[C@H](NCc2csc(C(C)(C)C)n2)C1(C)C ZINC000237272872 334085066 /nfs/dbraw/zinc/08/50/66/334085066.db2.gz ILPMJDHYRSIGKM-BLLLJJGKSA-N 0 1 296.480 3.734 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000547432996 334087889 /nfs/dbraw/zinc/08/78/89/334087889.db2.gz KYIHBMZIRDNXQT-RYUDHWBXSA-N 0 1 293.436 3.946 20 0 CHADMN CCC[C@H]1CCCC[C@@H]1NCc1ncn(-c2ccccc2)n1 ZINC000547509241 334096277 /nfs/dbraw/zinc/09/62/77/334096277.db2.gz PALCZKIFEJQAOG-RDJZCZTQSA-N 0 1 298.434 3.716 20 0 CHADMN C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+](C)CC1CC1 ZINC000077194528 334098110 /nfs/dbraw/zinc/09/81/10/334098110.db2.gz ALRDYNZRXHLVHE-JTQLQIEISA-N 0 1 279.334 3.834 20 0 CHADMN CC[C@@]1(C)COCCN1Cc1cc2ccccc2s1 ZINC000547525098 334098396 /nfs/dbraw/zinc/09/83/96/334098396.db2.gz PAIFHBVWTXDCKE-INIZCTEOSA-N 0 1 275.417 3.902 20 0 CHADMN C(=C\[C@@H]1CCCCC[N@H+]1Cc1c[nH]cn1)\c1ccccc1 ZINC000547528751 334098983 /nfs/dbraw/zinc/09/89/83/334098983.db2.gz JJRIBFIQFCMOJZ-LENZSSGSSA-N 0 1 281.403 3.868 20 0 CHADMN C(=C\[C@@H]1CCCCC[N@@H+]1Cc1c[nH]cn1)\c1ccccc1 ZINC000547528751 334098985 /nfs/dbraw/zinc/09/89/85/334098985.db2.gz JJRIBFIQFCMOJZ-LENZSSGSSA-N 0 1 281.403 3.868 20 0 CHADMN C(=C\[C@@H]1CCCCCN1Cc1c[nH]cn1)\c1ccccc1 ZINC000547528751 334098986 /nfs/dbraw/zinc/09/89/86/334098986.db2.gz JJRIBFIQFCMOJZ-LENZSSGSSA-N 0 1 281.403 3.868 20 0 CHADMN Cc1ccc([C@H]2[C@H](C)CCCN2Cc2ccon2)cc1 ZINC000077318467 334102431 /nfs/dbraw/zinc/10/24/31/334102431.db2.gz RVBFAYZRFXFUHC-RHSMWYFYSA-N 0 1 270.376 3.956 20 0 CHADMN COc1cccc(Cl)c1CNCCOc1ccccc1 ZINC000134778929 334103908 /nfs/dbraw/zinc/10/39/08/334103908.db2.gz AMBXHFOORUVINX-UHFFFAOYSA-N 0 1 291.778 3.517 20 0 CHADMN Cc1cccc([N+](=O)[O-])c1N[C@H]1CN(C)Cc2ccccc21 ZINC000547633029 334104489 /nfs/dbraw/zinc/10/44/89/334104489.db2.gz VSGJJNSCQYZPNP-HNNXBMFYSA-N 0 1 297.358 3.502 20 0 CHADMN C[C@@H](NC1(C2CC2)CC1)c1ncc(Br)cc1F ZINC000547654891 334106605 /nfs/dbraw/zinc/10/66/05/334106605.db2.gz YRRIHPAGXZTFPN-MRVPVSSYSA-N 0 1 299.187 3.576 20 0 CHADMN CC[C@H]1CCCCCN1Cc1cncc(Br)c1 ZINC000134911962 334108046 /nfs/dbraw/zinc/10/80/46/334108046.db2.gz YWGLGRYOGNKDLZ-AWEZNQCLSA-N 0 1 297.240 3.999 20 0 CHADMN COc1ccc(CN2C[C@@H](C)C[C@@H]2C)cc1Br ZINC000134990059 334111003 /nfs/dbraw/zinc/11/10/03/334111003.db2.gz RNNRXHLDSSXGCJ-QWRGUYRKSA-N 0 1 298.224 3.688 20 0 CHADMN COc1ccc(CN2C[C@H](C)C[C@@H]2C)cc1Br ZINC000134990043 334111088 /nfs/dbraw/zinc/11/10/88/334111088.db2.gz RNNRXHLDSSXGCJ-MNOVXSKESA-N 0 1 298.224 3.688 20 0 CHADMN C[C@@H](c1ccc(Br)cc1)N1[C@H](C)C[C@@H]1C ZINC000547769920 334116198 /nfs/dbraw/zinc/11/61/98/334116198.db2.gz CFMWEUWGAFQXND-AXFHLTTASA-N 0 1 268.198 3.993 20 0 CHADMN Cc1cnc([C@H](C)N[C@H]2CCc3ccccc32)s1 ZINC000135161405 334118436 /nfs/dbraw/zinc/11/84/36/334118436.db2.gz XVYVFNZMNMTKKZ-FZMZJTMJSA-N 0 1 258.390 3.790 20 0 CHADMN CC[C@]1(C)CN(Cc2cc(C)nc3ccccc23)CCO1 ZINC000135624685 334134729 /nfs/dbraw/zinc/13/47/29/334134729.db2.gz CEILNXGOLCLBLX-GOSISDBHSA-N 0 1 284.403 3.544 20 0 CHADMN C[C@@H](c1ccccc1Br)N1[C@H](C)C[C@@H]1C ZINC000548096197 334139722 /nfs/dbraw/zinc/13/97/22/334139722.db2.gz DVJZGYSUFQWAPF-AXFHLTTASA-N 0 1 268.198 3.993 20 0 CHADMN C[C@H](C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1)C1CC1 ZINC000175260439 335178281 /nfs/dbraw/zinc/17/82/81/335178281.db2.gz OGVXSUIHEALENB-JTQLQIEISA-N 0 1 295.342 3.808 20 0 CHADMN CCC[C@H](NC(=O)[C@H](C)N1[C@@H](C)C[C@@H]1C)c1ccccc1 ZINC000548426008 334155717 /nfs/dbraw/zinc/15/57/17/334155717.db2.gz BHZIWZQSGCWDNK-JKQORVJESA-N 0 1 288.435 3.515 20 0 CHADMN Clc1cnccc1CN1CCSC2(CCCCC2)C1 ZINC000079504530 334155857 /nfs/dbraw/zinc/15/58/57/334155857.db2.gz AECBRNGJXMCBLG-UHFFFAOYSA-N 0 1 296.867 3.987 20 0 CHADMN CSc1ccc(CN(C)[C@H](C)c2cccnc2)cc1 ZINC000079601414 334157708 /nfs/dbraw/zinc/15/77/08/334157708.db2.gz VQJXUJRUDSAZFZ-CYBMUJFWSA-N 0 1 272.417 3.997 20 0 CHADMN C[C@@H](C(=O)Nc1cccc2ccccc21)N1[C@H](C)C[C@H]1C ZINC000548754264 334170008 /nfs/dbraw/zinc/17/00/08/334170008.db2.gz MRBCWHYIKDPHQP-MCIONIFRSA-N 0 1 282.387 3.650 20 0 CHADMN Cc1nc2cc(N[C@@H]3CC[C@H]3C3CCC3)ccc2n1C ZINC000548881376 334178556 /nfs/dbraw/zinc/17/85/56/334178556.db2.gz ILIOEDGMGNXTHL-LSDHHAIUSA-N 0 1 269.392 3.872 20 0 CHADMN CO[C@H](C[N@@H+](C)CCCOC(C)C)c1ccc(Cl)cc1 ZINC000548918764 334180312 /nfs/dbraw/zinc/18/03/12/334180312.db2.gz YIWWTZVYHPFFEL-MRXNPFEDSA-N 0 1 299.842 3.774 20 0 CHADMN C[C@@H](c1ccccc1Cl)N1CC[C@H](OC(F)F)C1 ZINC000549082055 334184818 /nfs/dbraw/zinc/18/48/18/334184818.db2.gz MVRMNDPGYXQQMQ-UWVGGRQHSA-N 0 1 275.726 3.715 20 0 CHADMN FC(F)O[C@H]1CCN([C@H]2CCc3c2cccc3Cl)C1 ZINC000549077963 334184883 /nfs/dbraw/zinc/18/48/83/334184883.db2.gz VIBTXESXMXPERF-ZANVPECISA-N 0 1 287.737 3.641 20 0 CHADMN C[C@H]1Cc2ccccc2C[N@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000549140066 334186223 /nfs/dbraw/zinc/18/62/23/334186223.db2.gz VWAYPFHNZLMOHX-YJBOKZPZSA-N 0 1 285.431 3.925 20 0 CHADMN CCOC[C@H]1CCN(Cc2c(Cl)cccc2Cl)C1 ZINC000081519497 334193807 /nfs/dbraw/zinc/19/38/07/334193807.db2.gz VWLFZDAVONUKDE-NSHDSACASA-N 0 1 288.218 3.852 20 0 CHADMN CCN(Cc1csc([C@H](C)OC)n1)[C@H](C)C(C)C ZINC000245468666 334195665 /nfs/dbraw/zinc/19/56/65/334195665.db2.gz KYJSIXUWGKKDOC-NEPJUHHUSA-N 0 1 270.442 3.717 20 0 CHADMN C[C@@H](CN1CCOC[C@H]1c1cccn1C)C1CCCCC1 ZINC000549556447 334197768 /nfs/dbraw/zinc/19/77/68/334197768.db2.gz YLZVBUYLDRDHJH-YJBOKZPZSA-N 0 1 290.451 3.615 20 0 CHADMN Cc1csc(C2(NCCOC(C)(C)C)CCCC2)n1 ZINC000081595689 334198599 /nfs/dbraw/zinc/19/85/99/334198599.db2.gz AHCNWRVSUHBHFC-UHFFFAOYSA-N 0 1 282.453 3.626 20 0 CHADMN CCc1nc(C(C)C)ccc1CN1CC[C@H](OC(F)F)C1 ZINC000549687461 334201838 /nfs/dbraw/zinc/20/18/38/334201838.db2.gz JVDFERMLXRNUMF-ZDUSSCGKSA-N 0 1 298.377 3.581 20 0 CHADMN CCC(CC)N(C(=O)c1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC000550082255 334212773 /nfs/dbraw/zinc/21/27/73/334212773.db2.gz IZGPQRCVANSWHP-UHFFFAOYSA-N 0 1 297.402 3.870 20 0 CHADMN CC(C)[C@H]1CN([C@H](C)c2ccc(F)cc2F)CCCO1 ZINC000550186907 334215366 /nfs/dbraw/zinc/21/53/66/334215366.db2.gz SCXMXHRKWFISIK-MLGOLLRUSA-N 0 1 283.362 3.773 20 0 CHADMN C[C@H]1CN(Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H]1C ZINC000550305645 334219589 /nfs/dbraw/zinc/21/95/89/334219589.db2.gz FKYKPXTXHBQBSW-GJZGRUSLSA-N 0 1 294.398 3.779 20 0 CHADMN C[C@H](c1nc(Cc2ccccc2)no1)N1CC[C@@H](C)[C@@H](C)C1 ZINC000245852676 334221596 /nfs/dbraw/zinc/22/15/96/334221596.db2.gz DAVFQFFJTPDSTB-QLFBSQMISA-N 0 1 299.418 3.699 20 0 CHADMN CC(C)[C@@H]1CN(Cc2ccc(Cl)s2)CCCO1 ZINC000550562239 334224368 /nfs/dbraw/zinc/22/43/68/334224368.db2.gz RVXSNPHAJRHXDE-LBPRGKRZSA-N 0 1 273.829 3.648 20 0 CHADMN COc1cccc(Cl)c1CN1CCCO[C@@H](C(C)C)C1 ZINC000550561417 334224386 /nfs/dbraw/zinc/22/43/86/334224386.db2.gz FBWUWLFZJWEQBA-MRXNPFEDSA-N 0 1 297.826 3.596 20 0 CHADMN C[C@@H]1CN(Cc2cnc3ccccn23)[C@H]1c1ccccc1 ZINC000247003579 334273821 /nfs/dbraw/zinc/27/38/21/334273821.db2.gz DBXUZARVDGOOLW-RDTXWAMCSA-N 0 1 277.371 3.527 20 0 CHADMN Cc1ccc([C@@H]2CCC[C@H]2NCC(C)(F)F)cc1 ZINC000550882657 334231188 /nfs/dbraw/zinc/23/11/88/334231188.db2.gz QMXCKZWTMZZISE-UONOGXRCSA-N 0 1 253.336 3.876 20 0 CHADMN CCc1ccc(-c2noc(-c3ccc4cncn4c3)n2)cc1 ZINC000551037975 334236783 /nfs/dbraw/zinc/23/67/83/334236783.db2.gz ZOBFNDJTJAGGRH-UHFFFAOYSA-N 0 1 290.326 3.614 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc(C(C)(C)C)no1 ZINC000246172547 334238186 /nfs/dbraw/zinc/23/81/86/334238186.db2.gz PYAXCGBUFPQHCN-JHJVBQTASA-N 0 1 277.412 3.520 20 0 CHADMN C[C@@H]1CO[C@@H](c2ccccc2)CN1C[C@H]1CCC(F)(F)C1 ZINC000551094552 334238507 /nfs/dbraw/zinc/23/85/07/334238507.db2.gz AJJZHQVORVKEFU-IJEWVQPXSA-N 0 1 295.373 3.884 20 0 CHADMN CCCN1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000551119541 334238960 /nfs/dbraw/zinc/23/89/60/334238960.db2.gz HBNUUVPCJKCQMN-ZDUSSCGKSA-N 0 1 293.317 3.562 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)N[C@H]1CCC[C@H]1F ZINC000551309573 334246264 /nfs/dbraw/zinc/24/62/64/334246264.db2.gz MTAHTOUTTWBMSF-BNOWGMLFSA-N 0 1 251.345 3.545 20 0 CHADMN Cc1cccc(C)c1CN[C@H]1COCc2ccccc21 ZINC000551314732 334246763 /nfs/dbraw/zinc/24/67/63/334246763.db2.gz GQARUZVMIMCAAD-SFHVURJKSA-N 0 1 267.372 3.665 20 0 CHADMN c1ccc([C@@H]2C[C@@H]2CN2CCOC3(CCCCC3)C2)cc1 ZINC000552064052 334284155 /nfs/dbraw/zinc/28/41/55/334284155.db2.gz WGTOFELWHLFIBU-MSOLQXFVSA-N 0 1 285.431 3.825 20 0 CHADMN COc1cc(NCc2ccc3nc[nH]c3c2)cc(OC)c1C ZINC000552064350 334284266 /nfs/dbraw/zinc/28/42/66/334284266.db2.gz JIOUDJFGSSYJSP-UHFFFAOYSA-N 0 1 297.358 3.501 20 0 CHADMN CC[C@H]1CCCN(Cc2nc3ccccc3n2CC)C1 ZINC000552077171 334286767 /nfs/dbraw/zinc/28/67/67/334286767.db2.gz FNCNYZKWDSGTKM-AWEZNQCLSA-N 0 1 271.408 3.678 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@H](C)[C@@H]1C)c1nc(C(C)(C)C)no1 ZINC000248092723 334294609 /nfs/dbraw/zinc/29/46/09/334294609.db2.gz LVTHTPDMGMKUGV-ZDEQEGDKSA-N 0 1 279.428 3.842 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H]3CC34CCCCC4)ccc12 ZINC000552175248 334298918 /nfs/dbraw/zinc/29/89/18/334298918.db2.gz PYUOMJZNCWTZJO-CQSZACIVSA-N 0 1 283.375 3.780 20 0 CHADMN C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@](C)(O)C1 ZINC000248358261 334298976 /nfs/dbraw/zinc/29/89/76/334298976.db2.gz QOWVVJJNLGPTEE-RNCFNFMXSA-N 0 1 274.191 3.511 20 0 CHADMN Cc1ccc(CN2CCOC3(CCCCC3)C2)s1 ZINC000552277679 334311932 /nfs/dbraw/zinc/31/19/32/334311932.db2.gz DJFXOLQUPNCSNQ-UHFFFAOYSA-N 0 1 265.422 3.592 20 0 CHADMN C=Cn1cc(CN2CC[C@H](C)[C@@H]2c2cccc(F)c2)cn1 ZINC000248745777 334315605 /nfs/dbraw/zinc/31/56/05/334315605.db2.gz AZKNFHMIKZYXHH-SUMWQHHRSA-N 0 1 285.366 3.706 20 0 CHADMN CC[C@H](N[C@H](C)c1csc(C(C)C)n1)[C@@H]1CCCO1 ZINC000248921771 334321801 /nfs/dbraw/zinc/32/18/01/334321801.db2.gz FGDBOZPHOQGSFN-DYEKYZERSA-N 0 1 282.453 3.875 20 0 CHADMN CCN(Cc1csc(NC(C)=O)n1)[C@@H]1CCCC[C@H]1C ZINC000249353852 334332357 /nfs/dbraw/zinc/33/23/57/334332357.db2.gz KTGURGXOPYBXMP-BXUZGUMPSA-N 0 1 295.452 3.502 20 0 CHADMN CSC[C@H](O)CN([C@H](C)c1ccccc1Cl)C1CC1 ZINC000249439573 334333995 /nfs/dbraw/zinc/33/39/95/334333995.db2.gz JOTQFMPXAQMOSF-DGCLKSJQSA-N 0 1 299.867 3.589 20 0 CHADMN CSC[C@H](O)CN([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000249439574 334334030 /nfs/dbraw/zinc/33/40/30/334334030.db2.gz JOTQFMPXAQMOSF-WCQYABFASA-N 0 1 299.867 3.589 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN1CCCSCC1 ZINC000089983262 334354729 /nfs/dbraw/zinc/35/47/29/334354729.db2.gz UGUZLLMIXUCEDI-UHFFFAOYSA-N 0 1 294.445 3.650 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@H]3CCC[C@H](C)C3)[nH]c2c1 ZINC000553473712 334387016 /nfs/dbraw/zinc/38/70/16/334387016.db2.gz QCBVQGURBWWOEU-JQWIXIFHSA-N 0 1 271.364 3.636 20 0 CHADMN CCCCSCCC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000553811993 334399445 /nfs/dbraw/zinc/39/94/45/334399445.db2.gz JDRGSITYZXMADR-UHFFFAOYSA-N 0 1 291.420 3.733 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@H]3CCCC(F)(F)C3)[nH]c2c1 ZINC000553825903 334399878 /nfs/dbraw/zinc/39/98/78/334399878.db2.gz IKJIARFEDCAIPB-JTQLQIEISA-N 0 1 293.317 3.635 20 0 CHADMN CC[C@@H]1CC[C@H]1N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000554096187 334412243 /nfs/dbraw/zinc/41/22/43/334412243.db2.gz JFZASCZJGIUAAI-WQAKAFBOSA-N 0 1 288.218 3.805 20 0 CHADMN CCOc1c(Cl)cccc1CN[C@H]1CCC[C@H]1F ZINC000555643694 334486194 /nfs/dbraw/zinc/48/61/94/334486194.db2.gz ACLVECTYNZSESH-OLZOCXBDSA-N 0 1 271.763 3.719 20 0 CHADMN CC(C)(C)c1nc(CN2C[C@@H]3CCC[C@H]3C2)cs1 ZINC000153357230 334592703 /nfs/dbraw/zinc/59/27/03/334592703.db2.gz CVJFQRCNYSUQRU-RYUDHWBXSA-N 0 1 264.438 3.673 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)N[C@H](C)c1cncnc1C ZINC000566806122 334665083 /nfs/dbraw/zinc/66/50/83/334665083.db2.gz OUSKELOCRURBIZ-ZIAGYGMSSA-N 0 1 285.391 3.514 20 0 CHADMN CC[C@@H]1CC[C@@H]1N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000566941698 334670289 /nfs/dbraw/zinc/67/02/89/334670289.db2.gz QOKWYWODBAFAKX-SCRDCRAPSA-N 0 1 277.412 3.957 20 0 CHADMN Fc1ccc([C@H](NCCc2ccco2)c2ccccc2)nc1 ZINC000154396851 334693831 /nfs/dbraw/zinc/69/38/31/334693831.db2.gz MWLSXIHOEQIYBP-GOSISDBHSA-N 0 1 296.345 3.735 20 0 CHADMN Cc1cc(C)c([C@H](C)N[C@@H](C)c2ccn(C)n2)c(C)c1 ZINC000567219073 334694023 /nfs/dbraw/zinc/69/40/23/334694023.db2.gz ZIZYOIDZOIAHOB-GJZGRUSLSA-N 0 1 271.408 3.757 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccccc1C(F)(F)F ZINC000268875605 334717838 /nfs/dbraw/zinc/71/78/38/334717838.db2.gz WMKXMVDUXGVMNM-WDEREUQCSA-N 0 1 297.324 3.851 20 0 CHADMN CC(C)CCOc1ccc([C@H](C)NCCF)cc1 ZINC000572624694 334867825 /nfs/dbraw/zinc/86/78/25/334867825.db2.gz XHDHZYYJHDIRQN-ZDUSSCGKSA-N 0 1 253.361 3.732 20 0 CHADMN C[C@@H]1C[C@H](Nc2ccc(F)cn2)CC[N@H+]1Cc1ccccc1 ZINC000342562082 335183034 /nfs/dbraw/zinc/18/30/34/335183034.db2.gz HKXQGQHNYRDQFQ-RHSMWYFYSA-N 0 1 299.393 3.686 20 0 CHADMN CN(Cc1ccc[nH]1)Cc1ccc(Cl)c(Cl)c1 ZINC000175426472 335183782 /nfs/dbraw/zinc/18/37/82/335183782.db2.gz ZECUBTCSLRKQKT-UHFFFAOYSA-N 0 1 269.175 3.954 20 0 CHADMN Cc1nc2ccccc2nc1CN[C@H](C)c1ccccc1 ZINC000175556169 335187673 /nfs/dbraw/zinc/18/76/73/335187673.db2.gz ZIODEFDSNWJEBN-CYBMUJFWSA-N 0 1 277.371 3.789 20 0 CHADMN CCC(C)(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000576405020 335199913 /nfs/dbraw/zinc/19/99/13/335199913.db2.gz AFHJQONCQLDNQW-HNNXBMFYSA-N 0 1 289.419 3.671 20 0 CHADMN CC[C@@H](NCc1ccc(COC)o1)c1cccs1 ZINC000343491552 335205234 /nfs/dbraw/zinc/20/52/34/335205234.db2.gz QUVCWAODDAKSMQ-CYBMUJFWSA-N 0 1 265.378 3.728 20 0 CHADMN CN(Cc1cc(Cl)cn1C)C[C@@H]1CCC2(CCCC2)O1 ZINC000576481703 335210618 /nfs/dbraw/zinc/21/06/18/335210618.db2.gz MBFZXVKHRCIWIV-HNNXBMFYSA-N 0 1 296.842 3.602 20 0 CHADMN Cc1cc([C@H](C)[N@H+]2CCC[C@@H]2c2ccco2)oc1C(=O)[O-] ZINC000576710130 335238661 /nfs/dbraw/zinc/23/86/61/335238661.db2.gz AZZKWDQYHGHPMN-NWDGAFQWSA-N 0 1 289.331 3.777 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@H]1CCSc2ccccc21 ZINC000576766971 335245784 /nfs/dbraw/zinc/24/57/84/335245784.db2.gz CSJJQGXOFQUOMW-WFASDCNBSA-N 0 1 285.416 3.673 20 0 CHADMN Cc1ccc2nc(CN[C@H](c3ccccc3)C3CC3)cn2c1 ZINC000192504480 335266455 /nfs/dbraw/zinc/26/64/55/335266455.db2.gz MWVJYFLOSYWHPZ-LJQANCHMSA-N 0 1 291.398 3.884 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC2(CC(=O)[O-])CC2)o1 ZINC000576950786 335268546 /nfs/dbraw/zinc/26/85/46/335268546.db2.gz NSTGXOCIYVNNTM-GXTWGEPZSA-N 0 1 291.391 3.616 20 0 CHADMN C[C@@]1(Cc2cccc(F)c2)CCCN1Cc1nccs1 ZINC000576983325 335273441 /nfs/dbraw/zinc/27/34/41/335273441.db2.gz PABUVUHUAWWMDU-INIZCTEOSA-N 0 1 290.407 3.879 20 0 CHADMN CC(=O)c1cc(CN2CCC[C@H]2CC2CCCCC2)on1 ZINC000577091568 335298510 /nfs/dbraw/zinc/29/85/10/335298510.db2.gz RIBFURLRXVWGIV-HNNXBMFYSA-N 0 1 290.407 3.812 20 0 CHADMN Cc1noc([C@H](C)N(C)C[C@@H](C)c2cccc(Cl)c2)n1 ZINC000577228615 335326504 /nfs/dbraw/zinc/32/65/04/335326504.db2.gz FQSPMKNURLBSDR-MNOVXSKESA-N 0 1 293.798 3.828 20 0 CHADMN CC(C)CO[C@@H]1C[C@H](N[C@@H](C)c2cscn2)C1(C)C ZINC000577236155 335328218 /nfs/dbraw/zinc/32/82/18/335328218.db2.gz KHAKPVDNYIMTID-FPMFFAJLSA-N 0 1 282.453 3.633 20 0 CHADMN CC[C@H](N[C@@H](CO)c1ccccc1OC)c1ccsc1 ZINC000577262110 335331432 /nfs/dbraw/zinc/33/14/32/335331432.db2.gz NBONLORCLIGKTI-GJZGRUSLSA-N 0 1 291.416 3.531 20 0 CHADMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000577381453 335345543 /nfs/dbraw/zinc/34/55/43/335345543.db2.gz XZQONXXMNNIBLX-YPMHNXCESA-N 0 1 281.421 3.847 20 0 CHADMN Cc1cccc(CN[C@@H]2c3ccccc3O[C@H]2C)c1 ZINC000577416803 335350830 /nfs/dbraw/zinc/35/08/30/335350830.db2.gz JLBPBHJDJVHHFU-GUYCJALGSA-N 0 1 253.345 3.607 20 0 CHADMN Cc1ccccc1[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)CCO1 ZINC000577466995 335355401 /nfs/dbraw/zinc/35/54/01/335355401.db2.gz PPRWNLAFRNJPKA-ZBFHGGJFSA-N 0 1 295.373 3.804 20 0 CHADMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c2ccccc12 ZINC000577499705 335359825 /nfs/dbraw/zinc/35/98/25/335359825.db2.gz IACDYFNDEBDGTG-HNNXBMFYSA-N 0 1 289.762 3.542 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000577499895 335360156 /nfs/dbraw/zinc/36/01/56/335360156.db2.gz KSSBNGLPLGHFOT-LPMFXHHGSA-N 0 1 297.398 3.943 20 0 CHADMN CC1(CN2CCCn3c(cc4ccccc43)C2)CC1 ZINC000577542988 335367001 /nfs/dbraw/zinc/36/70/01/335367001.db2.gz SGFWQUUCHNEXDS-UHFFFAOYSA-N 0 1 254.377 3.647 20 0 CHADMN COc1cccc([C@H](C)N2CCc3c(cccc3OC)C2)c1 ZINC000577553734 335367911 /nfs/dbraw/zinc/36/79/11/335367911.db2.gz XGNONTPRGJRLTE-AWEZNQCLSA-N 0 1 297.398 3.823 20 0 CHADMN Cc1noc([C@H](C)N[C@@H]2CCC[C@@H]2CCc2ccccc2)n1 ZINC000577561689 335368775 /nfs/dbraw/zinc/36/87/75/335368775.db2.gz ICGWZTCXBZTNNR-IAOVAPTHSA-N 0 1 299.418 3.830 20 0 CHADMN C(=C/[C@H]1CCCCCN1Cc1cnccn1)\c1ccccc1 ZINC000577705086 335390329 /nfs/dbraw/zinc/39/03/29/335390329.db2.gz CJTCMFXLUYDPID-GNISGLHKSA-N 0 1 293.414 3.935 20 0 CHADMN CC1CN(Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000577762759 335398768 /nfs/dbraw/zinc/39/87/68/335398768.db2.gz JZGHLZIBQWYJPD-UHFFFAOYSA-N 0 1 277.314 3.893 20 0 CHADMN Cc1cc(C(=O)Nc2cccc(Cl)c2O)c(F)cc1F ZINC000178231030 335422582 /nfs/dbraw/zinc/42/25/82/335422582.db2.gz IUUKFCFCGROWCK-UHFFFAOYSA-N 0 1 297.688 3.885 20 0 CHADMN CCCCOc1cccc(CN[C@@H](C)c2cncnc2C)c1 ZINC000578786489 335675230 /nfs/dbraw/zinc/67/52/30/335675230.db2.gz LPNLWQOQHGCROR-AWEZNQCLSA-N 0 1 299.418 3.815 20 0 CHADMN Cc1ccccc1[C@@H](N[C@@H](C)c1nccn1C)C(C)C ZINC000182958434 335852961 /nfs/dbraw/zinc/85/29/61/335852961.db2.gz OYZSMSCIXYCQIY-HOCLYGCPSA-N 0 1 271.408 3.776 20 0 CHADMN CCCc1noc(CNC2(Cc3ccccc3)CCCC2)n1 ZINC000185839903 335957977 /nfs/dbraw/zinc/95/79/77/335957977.db2.gz HVMWFUQRLQXNFZ-UHFFFAOYSA-N 0 1 299.418 3.667 20 0 CHADMN CCc1nc([C@H](C)NCCc2ncc(C)cc2C)cs1 ZINC000581129505 336012330 /nfs/dbraw/zinc/01/23/30/336012330.db2.gz SSRWSVAWQURTBN-ZDUSSCGKSA-N 0 1 289.448 3.611 20 0 CHADMN COc1ccc(CN2CC[C@@H](C)[C@@H]2C)cc1Br ZINC000380707637 336018615 /nfs/dbraw/zinc/01/86/15/336018615.db2.gz RTTPSNUVIDIZIP-MNOVXSKESA-N 0 1 298.224 3.688 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000581255882 336033135 /nfs/dbraw/zinc/03/31/35/336033135.db2.gz JHESJMYUXLEQDF-QGZVFWFLSA-N 0 1 289.419 3.586 20 0 CHADMN CN(CCCc1ccccc1)Cc1nc2ccccc2n1C ZINC000195079502 336044471 /nfs/dbraw/zinc/04/44/71/336044471.db2.gz FMONFRVYXPMUMA-UHFFFAOYSA-N 0 1 293.414 3.638 20 0 CHADMN CCc1cccc(CN[C@@H](C)c2n[nH]c([C@H](C)CC)n2)c1 ZINC000581315192 336047021 /nfs/dbraw/zinc/04/70/21/336047021.db2.gz UZJNAFGBFLGEFT-OLZOCXBDSA-N 0 1 286.423 3.731 20 0 CHADMN CC1(C)CN(C(=O)c2ccc(O)c(Cl)c2)[C@@H]2CCC[C@H]21 ZINC000381117068 336050613 /nfs/dbraw/zinc/05/06/13/336050613.db2.gz KMEJASOEXYIZBV-DGCLKSJQSA-N 0 1 293.794 3.696 20 0 CHADMN Cc1cc(CNCc2ccc3ccccc3n2)cs1 ZINC000381162585 336052908 /nfs/dbraw/zinc/05/29/08/336052908.db2.gz OAFKFZPGKMWGDB-UHFFFAOYSA-N 0 1 268.385 3.895 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000381572299 336068717 /nfs/dbraw/zinc/06/87/17/336068717.db2.gz ZBLNQGYNMYQQMO-NSHDSACASA-N 0 1 281.783 3.660 20 0 CHADMN COC(=O)c1cccc(CN2CC[C@H](C)[C@H](C)C2)c1Cl ZINC000381702757 336071072 /nfs/dbraw/zinc/07/10/72/336071072.db2.gz PBBZIHWPDMWMHW-NWDGAFQWSA-N 0 1 295.810 3.605 20 0 CHADMN C[C@H](O)[C@@H](N[C@H]1CCCc2ccccc21)c1ccccc1F ZINC000581434332 336077065 /nfs/dbraw/zinc/07/70/65/336077065.db2.gz RYORRQXKHDDQND-FASAQXTFSA-N 0 1 299.389 3.915 20 0 CHADMN CC[N@@H+](Cc1cc(C(=O)[O-])c(C)o1)Cc1ccccc1C ZINC000581434717 336077078 /nfs/dbraw/zinc/07/70/78/336077078.db2.gz JFYMSLLORLXZLZ-UHFFFAOYSA-N 0 1 287.359 3.617 20 0 CHADMN Fc1cc(CN[C@@H]2CCC[C@@H]2F)ccc1Br ZINC000382149474 336083309 /nfs/dbraw/zinc/08/33/09/336083309.db2.gz PADDMLOBNNZRGC-CMPLNLGQSA-N 0 1 290.151 3.568 20 0 CHADMN CC[C@@H](C)[N@H+](CC(=O)[O-])CC1CCC(C(F)(F)F)CC1 ZINC000581494725 336089678 /nfs/dbraw/zinc/08/96/78/336089678.db2.gz ZCUHFHXXZNZTMW-VOMCLLRMSA-N 0 1 295.345 3.540 20 0 CHADMN CCc1cc(CN[C@@H]2C[C@@H](C)c3ccccc32)on1 ZINC000581512184 336092216 /nfs/dbraw/zinc/09/22/16/336092216.db2.gz QRQFXMRKQYLCGG-BDJLRTHQSA-N 0 1 256.349 3.575 20 0 CHADMN C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+]1CC[C@](C)(O)C1 ZINC000581515141 336092397 /nfs/dbraw/zinc/09/23/97/336092397.db2.gz BQOHWQQLMYOKFZ-PINLSGDHSA-N 0 1 299.336 3.565 20 0 CHADMN CC1(C)CCC(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)CC1 ZINC000383722155 336117052 /nfs/dbraw/zinc/11/70/52/336117052.db2.gz GNVBEFLQLKYAEZ-CQSZACIVSA-N 0 1 281.440 3.780 20 0 CHADMN CC(C)[C@@H]1N(Cc2ccc(F)cc2F)CC12CCOCC2 ZINC000581654554 336118616 /nfs/dbraw/zinc/11/86/16/336118616.db2.gz OOVXQMGKCVOWCL-INIZCTEOSA-N 0 1 295.373 3.602 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1cccc(O)c1 ZINC000384003069 336121198 /nfs/dbraw/zinc/12/11/98/336121198.db2.gz WRYCQILCIYLNHQ-ZDUSSCGKSA-N 0 1 271.360 3.560 20 0 CHADMN CCc1ccc([C@@H](CC)NCc2snnc2C)cc1 ZINC000384230649 336122784 /nfs/dbraw/zinc/12/27/84/336122784.db2.gz HDCNPAOJQVUBQA-CQSZACIVSA-N 0 1 275.421 3.650 20 0 CHADMN C[C@@H](CC(C)(C)C)NC(=O)c1ccc(O)c(Cl)c1 ZINC000384586936 336126470 /nfs/dbraw/zinc/12/64/70/336126470.db2.gz YOEIIQKWUKPFOT-VIFPVBQESA-N 0 1 269.772 3.600 20 0 CHADMN CCc1nc([C@H](C)N[C@H]2CC[C@@H](C)c3ccsc32)n[nH]1 ZINC000581708359 336132797 /nfs/dbraw/zinc/13/27/97/336132797.db2.gz DCHMTDBPNIMHNN-SCVCMEIPSA-N 0 1 290.436 3.718 20 0 CHADMN C[C@@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1c(F)cccc1Cl ZINC000384880602 336133555 /nfs/dbraw/zinc/13/35/55/336133555.db2.gz JURANAMNWCQCGX-PRFIWBCESA-N 0 1 271.763 3.696 20 0 CHADMN C[C@@H](c1ccccc1)[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000581829948 336148882 /nfs/dbraw/zinc/14/88/82/336148882.db2.gz QNXXPRXQLYPCKW-BMGDILEWSA-N 0 1 295.382 3.548 20 0 CHADMN c1ccc2c(c1)CN(Cc1ccc3c(n1)CCC3)CC21CC1 ZINC000581870124 336155076 /nfs/dbraw/zinc/15/50/76/336155076.db2.gz BSJUYYMXTLHALQ-UHFFFAOYSA-N 0 1 290.410 3.618 20 0 CHADMN C([C@H]1CCC2(CCCC2)O1)N1CCOC2(CCCCC2)C1 ZINC000581896447 336162674 /nfs/dbraw/zinc/16/26/74/336162674.db2.gz CKDYCWCQFJIUOI-MRXNPFEDSA-N 0 1 293.451 3.513 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000581949241 336175025 /nfs/dbraw/zinc/17/50/25/336175025.db2.gz UQXHWDFDWZSZDZ-DZGCQCFKSA-N 0 1 299.370 3.746 20 0 CHADMN CCCC1(C(=O)Nc2cccc(Cl)c2O)CC1 ZINC000340319204 519888380 /nfs/dbraw/zinc/88/83/80/519888380.db2.gz HNDWVGWQGOZXPO-UHFFFAOYSA-N 0 1 253.729 3.564 20 0 CHADMN CCCN(CC)Cc1csc(-c2ccco2)n1 ZINC000299460670 521614961 /nfs/dbraw/zinc/61/49/61/521614961.db2.gz ZACBHXFEVNRQFF-UHFFFAOYSA-N 0 1 250.367 3.635 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1ncccc1C(F)(F)F ZINC000353310529 533739175 /nfs/dbraw/zinc/73/91/75/533739175.db2.gz SJGYJRNLTQQGJN-GHMZBOCLSA-N 0 1 272.314 3.863 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1cc(Br)cs1 ZINC000354990444 533739877 /nfs/dbraw/zinc/73/98/77/533739877.db2.gz CANBUECDARPAHT-IUCAKERBSA-N 0 1 274.227 3.883 20 0 CHADMN C[C@@H]1CCC[C@H](CC(=O)Nc2cccc(-c3nnc[nH]3)c2)C1 ZINC000114393146 533834704 /nfs/dbraw/zinc/83/47/04/533834704.db2.gz NSGPPYKPQAMBCN-OLZOCXBDSA-N 0 1 298.390 3.627 20 0 CHADMN Cc1ccc(CN2CCC(c3ccc(F)cc3C)CC2)nn1 ZINC000334837153 533920777 /nfs/dbraw/zinc/92/07/77/533920777.db2.gz VGRIYZKAHJDSKN-UHFFFAOYSA-N 0 1 299.393 3.612 20 0 CHADMN C[C@H](CCN1CCn2cccc2[C@@H]1C)OCc1ccccc1 ZINC000354884403 533924340 /nfs/dbraw/zinc/92/43/40/533924340.db2.gz SEAVYNJMWKSYEK-SJORKVTESA-N 0 1 298.430 3.860 20 0 CHADMN COc1ccccc1/C=C\CN1CCC[C@H]1c1cc(C)no1 ZINC000352096841 533959935 /nfs/dbraw/zinc/95/99/35/533959935.db2.gz KXTZJDFXFSJQBI-SBSDFTTDSA-N 0 1 298.386 3.842 20 0 CHADMN Cc1c[nH]nc1CN(Cc1ccccc1)CC1CCC1 ZINC000356054107 533989650 /nfs/dbraw/zinc/98/96/50/533989650.db2.gz KDKGIYAAFYPNPV-UHFFFAOYSA-N 0 1 269.392 3.520 20 0 CHADMN Cc1c[nH]nc1CN(C1CC1)[C@H]1CCCc2ccccc21 ZINC000356095025 533989961 /nfs/dbraw/zinc/98/99/61/533989961.db2.gz WVCNOHOLIZBYNB-SFHVURJKSA-N 0 1 281.403 3.760 20 0 CHADMN C[C@@H](Sc1ccccc1)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000352626851 534010117 /nfs/dbraw/zinc/01/01/17/534010117.db2.gz QQFZKRGFJGRQLZ-LLVKDONJSA-N 0 1 297.383 3.682 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC(c2ncc[nH]2)CC1 ZINC000336539613 534043095 /nfs/dbraw/zinc/04/30/95/534043095.db2.gz DCQVEGKEDQZNAI-NSHDSACASA-N 0 1 291.345 3.629 20 0 CHADMN Cc1cc2cc(CN[C@@H](C)c3ccccn3)ccc2[nH]1 ZINC000353797168 534093426 /nfs/dbraw/zinc/09/34/26/534093426.db2.gz QQDHAHUAAWOXEU-ZDUSSCGKSA-N 0 1 265.360 3.722 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000332223582 534128528 /nfs/dbraw/zinc/12/85/28/534128528.db2.gz JXMMFAIHBIGXOF-LLVKDONJSA-N 0 1 271.364 3.636 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CCCC2(CCCC2)C1 ZINC000334857676 534152470 /nfs/dbraw/zinc/15/24/70/534152470.db2.gz VIIDOZOHBOBHKK-GFCCVEGCSA-N 0 1 275.396 3.664 20 0 CHADMN C[C@H]1CCCN(Cc2cnc3ccc(Cl)cn23)CC1 ZINC000352797168 534175545 /nfs/dbraw/zinc/17/55/45/534175545.db2.gz IADMGWSCJIDGSF-LBPRGKRZSA-N 0 1 277.799 3.610 20 0 CHADMN Cc1ccc(-c2ncc(CN3C[C@@H]4CCC[C@H]43)s2)o1 ZINC000353898761 534216986 /nfs/dbraw/zinc/21/69/86/534216986.db2.gz LGBCKINRXDAPGI-WCQYABFASA-N 0 1 274.389 3.696 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1cscc1Br ZINC000347923325 534228086 /nfs/dbraw/zinc/22/80/86/534228086.db2.gz SXIUFZUAYAJJDW-DTORHVGOSA-N 0 1 274.227 3.883 20 0 CHADMN C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000352628858 534251434 /nfs/dbraw/zinc/25/14/34/534251434.db2.gz CQZVAJBGAKGCGY-NSHDSACASA-N 0 1 297.333 3.519 20 0 CHADMN Brc1cc2c(s1)CC[C@@H]2NCc1ccoc1 ZINC000293043193 518208565 /nfs/dbraw/zinc/20/85/65/518208565.db2.gz AAHYOYSXLDNBFO-JTQLQIEISA-N 0 1 298.205 3.881 20 0 CHADMN Brc1csc(CN2CCC3(CCC3)C2)c1 ZINC000307006213 518234769 /nfs/dbraw/zinc/23/47/69/518234769.db2.gz KUJKEVUFAIDQJR-UHFFFAOYSA-N 0 1 286.238 3.887 20 0 CHADMN C(=C/c1ccccc1)\CN(Cc1ccccn1)C1CC1 ZINC000290456383 518370891 /nfs/dbraw/zinc/37/08/91/518370891.db2.gz MSLHURWPTBPSGQ-RMKNXTFCSA-N 0 1 264.372 3.759 20 0 CHADMN C(=C/c1ccccc1)\CN(Cc1cccnc1)C1CC1 ZINC000290295184 518372639 /nfs/dbraw/zinc/37/26/39/518372639.db2.gz ATDCVYALRDTLRO-WEVVVXLNSA-N 0 1 264.372 3.759 20 0 CHADMN C/C(=C/c1ccc(F)cc1)c1nc([C@@H](N)CC(C)C)no1 ZINC000339398105 518414460 /nfs/dbraw/zinc/41/44/60/518414460.db2.gz VNZCWBJMUHSTTJ-FPAJZGIOSA-N 0 1 289.354 3.815 20 0 CHADMN CC(C)(C)CCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000287096524 518634176 /nfs/dbraw/zinc/63/41/76/518634176.db2.gz XAKURDKLJQDSIB-UHFFFAOYSA-N 0 1 273.735 3.950 20 0 CHADMN CC(C)(C)c1ccccc1NC(=O)[C@@](C)(N)c1ccccc1 ZINC000236750799 519060685 /nfs/dbraw/zinc/06/06/85/519060685.db2.gz PDRJXDSXVYVJNK-IBGZPJMESA-N 0 1 296.414 3.797 20 0 CHADMN CC(C)(C)c1nc(CN2CCC[C@@H]2c2ccsc2)n[nH]1 ZINC000292628019 519097276 /nfs/dbraw/zinc/09/72/76/519097276.db2.gz NHVAOWMJSSBYTK-GFCCVEGCSA-N 0 1 290.436 3.501 20 0 CHADMN CC(C)(C)n1cc(CNC(C)(C)c2cccc(F)c2)cn1 ZINC000076901825 519157607 /nfs/dbraw/zinc/15/76/07/519157607.db2.gz BIKZCXMQJUFKKM-UHFFFAOYSA-N 0 1 289.398 3.802 20 0 CHADMN CC(C)(NCc1cccnc1Cl)c1ccccc1 ZINC000263688274 519323395 /nfs/dbraw/zinc/32/33/95/519323395.db2.gz QMUKHMZGEZVHIV-UHFFFAOYSA-N 0 1 260.768 3.760 20 0 CHADMN CC(C)C[C@H](N)c1noc(CCc2cc(Cl)cs2)n1 ZINC000339399661 519375454 /nfs/dbraw/zinc/37/54/54/519375454.db2.gz YZKXOOUJEUHTHW-NSHDSACASA-N 0 1 299.827 3.616 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H]2CCCc3ccccc32)n1 ZINC000339389226 519380342 /nfs/dbraw/zinc/38/03/42/519380342.db2.gz DTPMBQJAPZZJKR-GJZGRUSLSA-N 0 1 285.391 3.584 20 0 CHADMN CC(C)(c1nc(C2(N)CCCCC2)no1)c1ccccc1 ZINC000041153586 519383124 /nfs/dbraw/zinc/38/31/24/519383124.db2.gz ZEUGFEPEZJUNPD-UHFFFAOYSA-N 0 1 285.391 3.514 20 0 CHADMN CC(C)C[C@H]1C[C@H]([NH2+]Cc2cccc([O-])c2Cl)CCO1 ZINC000293139963 519418768 /nfs/dbraw/zinc/41/87/68/519418768.db2.gz CUXCCHOTWDMTGG-KGLIPLIRSA-N 0 1 297.826 3.729 20 0 CHADMN CC(C)C1(NCc2ncc(-c3ccccc3F)o2)CC1 ZINC000293225598 519556446 /nfs/dbraw/zinc/55/64/46/519556446.db2.gz YYRAGDDANQXEMC-UHFFFAOYSA-N 0 1 274.339 3.759 20 0 CHADMN CC(C)SCCN[C@H](C)c1nc2c(s1)CCCC2 ZINC000338284941 519787649 /nfs/dbraw/zinc/78/76/49/519787649.db2.gz XYMSMZMFUBPBTD-LLVKDONJSA-N 0 1 284.494 3.814 20 0 CHADMN CC(C)Sc1ccc([C@@H](C)NCc2cncn2C)cc1 ZINC000236633996 519788048 /nfs/dbraw/zinc/78/80/48/519788048.db2.gz FRXZPCOEBBJKNR-CYBMUJFWSA-N 0 1 289.448 3.771 20 0 CHADMN CC(C)[C@@H](NCc1ccco1)c1ccc2c(c1)OCCO2 ZINC000061016014 519799093 /nfs/dbraw/zinc/79/90/93/519799093.db2.gz JDNURXBKYQKFBM-QGZVFWFLSA-N 0 1 287.359 3.538 20 0 CHADMN CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)CCCC(=O)[O-] ZINC000116402438 519801507 /nfs/dbraw/zinc/80/15/07/519801507.db2.gz YTAMJIWSKFLMEB-HNNXBMFYSA-N 0 1 283.799 3.834 20 0 CHADMN CC(C)c1ccc(CNCc2cn(C)nc2C(F)F)cc1 ZINC000291299202 519836282 /nfs/dbraw/zinc/83/62/82/519836282.db2.gz WLIJVFMOJCJOPO-UHFFFAOYSA-N 0 1 293.361 3.771 20 0 CHADMN CC(C)n1nccc1CN1CCc2ccccc2[C@H]1C ZINC000337196151 520108151 /nfs/dbraw/zinc/10/81/51/520108151.db2.gz WEEICCDUFYAYSH-CQSZACIVSA-N 0 1 269.392 3.583 20 0 CHADMN CC(C)n1nccc1CN[C@H]1CCc2c1cccc2Cl ZINC000279944946 520113634 /nfs/dbraw/zinc/11/36/34/520113634.db2.gz OAIICDRYZPFMKO-INIZCTEOSA-N 0 1 289.810 3.895 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(F)F)cc2)[C@@H](C)[C@H](C)O1 ZINC000354916253 534473150 /nfs/dbraw/zinc/47/31/50/534473150.db2.gz GCVHQPISAFFHNY-WOPDTQHZSA-N 0 1 269.335 3.622 20 0 CHADMN CCCCCN(C(=O)c1cnc(C)[nH]1)[C@H](C)CCC ZINC000339225618 520147672 /nfs/dbraw/zinc/14/76/72/520147672.db2.gz YXYNSNRCUUQPFD-GFCCVEGCSA-N 0 1 265.401 3.539 20 0 CHADMN CCCNc1ccc(CN[C@H](C)c2ccc(F)cn2)cc1 ZINC000278877670 520159589 /nfs/dbraw/zinc/15/95/89/520159589.db2.gz XPAWRXLQJFIQCO-CYBMUJFWSA-N 0 1 287.382 3.893 20 0 CHADMN Cc1noc([C@H]2CCCN2CC[C@H]2C[C@H](C)C[C@H](C)C2)n1 ZINC000353569864 534481775 /nfs/dbraw/zinc/48/17/75/534481775.db2.gz GZOWCZNMEIGTPV-BFJAYTPKSA-N 0 1 291.439 3.977 20 0 CHADMN CCCCC[C@H](NCc1ncc[nH]1)c1ccccc1 ZINC000066593845 520312612 /nfs/dbraw/zinc/31/26/12/520312612.db2.gz PECRXHDYXRXQSZ-HNNXBMFYSA-N 0 1 257.381 3.821 20 0 CHADMN CCCOc1ccc(C(C)(C)NCc2ccnc(C)n2)cc1 ZINC000339385870 520339642 /nfs/dbraw/zinc/33/96/42/520339642.db2.gz VKAGDRCWKYINMT-UHFFFAOYSA-N 0 1 299.418 3.599 20 0 CHADMN CC1(C)CCN(Cc2csc(-c3ccccn3)n2)CC1 ZINC000339256509 520380736 /nfs/dbraw/zinc/38/07/36/520380736.db2.gz WSJHPCOETVJUMD-UHFFFAOYSA-N 0 1 287.432 3.827 20 0 CHADMN CCCOc1ccc([C@@H](C)N[C@@H](C)c2ccnn2C)cc1 ZINC000278152235 520417465 /nfs/dbraw/zinc/41/74/65/520417465.db2.gz AEWQRAMHNWJUFA-KGLIPLIRSA-N 0 1 287.407 3.621 20 0 CHADMN CC1(C)CN(Cc2cnc3ccccc3c2)[C@H]1[C@@H]1CCCO1 ZINC000289730599 520485682 /nfs/dbraw/zinc/48/56/82/520485682.db2.gz KCEDMUQODCQJHN-ROUUACIJSA-N 0 1 296.414 3.624 20 0 CHADMN Fc1ccc2c(c1F)CN(CCCC1CCOCC1)CC2 ZINC000346969485 534507768 /nfs/dbraw/zinc/50/77/68/534507768.db2.gz FQPOEQHYKBDZSL-UHFFFAOYSA-N 0 1 295.373 3.530 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C[C@@H]3C[C@@H]3C)[nH]c2c1 ZINC000353775461 534508696 /nfs/dbraw/zinc/50/86/96/534508696.db2.gz SROCJMYOZKAPJQ-XEZPLFJOSA-N 0 1 297.402 3.581 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C[C@@H]3C[C@H]3C)[nH]c2c1 ZINC000353775459 534508840 /nfs/dbraw/zinc/50/88/40/534508840.db2.gz SROCJMYOZKAPJQ-WWGRRREGSA-N 0 1 297.402 3.581 20 0 CHADMN CCC[C@@H](NCc1ccc2c(n1)CCCC2)c1cccnc1 ZINC000278170597 520779743 /nfs/dbraw/zinc/77/97/43/520779743.db2.gz AZUNVALWPGMWDC-GOSISDBHSA-N 0 1 295.430 3.986 20 0 CHADMN CCC[C@@H](NCc1ccn(C)c1)c1ccc(F)cc1F ZINC000126672662 520782163 /nfs/dbraw/zinc/78/21/63/520782163.db2.gz HSLUDKRAAASMNZ-MRXNPFEDSA-N 0 1 278.346 3.934 20 0 CHADMN CCC[C@@H](OC)c1noc(-c2cc(Cl)ccc2O)n1 ZINC000157393154 520809180 /nfs/dbraw/zinc/80/91/80/520809180.db2.gz XIWCJCIQODVUEI-LLVKDONJSA-N 0 1 282.727 3.583 20 0 CHADMN c1csc(CN(CC2CCCCC2)C2CC2)n1 ZINC000352298390 534518967 /nfs/dbraw/zinc/51/89/67/534518967.db2.gz WYWKGSNTOVWSLI-UHFFFAOYSA-N 0 1 250.411 3.688 20 0 CHADMN Cc1ccc2ncc(CN[C@H]3CSc4ccccc43)n2c1 ZINC000344439605 534520916 /nfs/dbraw/zinc/52/09/16/534520916.db2.gz UGEXWBILQYRULY-HNNXBMFYSA-N 0 1 295.411 3.579 20 0 CHADMN c1csc(N2CCN(Cc3ccc4occc4c3)CC2)c1 ZINC000347873728 534524239 /nfs/dbraw/zinc/52/42/39/534524239.db2.gz UYSHCOVATHAYLK-UHFFFAOYSA-N 0 1 298.411 3.817 20 0 CHADMN CCCCOc1ncccc1CNCc1ccsc1C ZINC000339202272 520922095 /nfs/dbraw/zinc/92/20/95/520922095.db2.gz KBQQNUJAKMFSIO-UHFFFAOYSA-N 0 1 290.432 3.920 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263572718 520953665 /nfs/dbraw/zinc/95/36/65/520953665.db2.gz LIQCXBSOJCQDQG-KRWDZBQOSA-N 0 1 275.392 3.787 20 0 CHADMN CCCCS[C@@H](C)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000276861026 520964687 /nfs/dbraw/zinc/96/46/87/520964687.db2.gz ZYTVDZACODHOAP-NSHDSACASA-N 0 1 291.420 3.732 20 0 CHADMN CCOc1ccc(CN2CCC(C)(OCC)CC2)cc1F ZINC000292745803 520970117 /nfs/dbraw/zinc/97/01/17/520970117.db2.gz HYGCWTJTZVCPLF-UHFFFAOYSA-N 0 1 295.398 3.615 20 0 CHADMN CCCC[C@@H](CC)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000279605268 521020428 /nfs/dbraw/zinc/02/04/28/521020428.db2.gz GQXYUCHGWJUOAH-SECBINFHSA-N 0 1 273.327 3.811 20 0 CHADMN CCC[C@H](C)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000337310035 521038419 /nfs/dbraw/zinc/03/84/19/521038419.db2.gz ZSGWXPJLWMZUFX-NSHDSACASA-N 0 1 260.356 3.854 20 0 CHADMN CCCC[C@H](NCc1cc(C)ncn1)c1ccc(OC)cc1 ZINC000293240925 521239044 /nfs/dbraw/zinc/23/90/44/521239044.db2.gz QXKMDZRVHMOHEG-SFHVURJKSA-N 0 1 299.418 3.815 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263572719 521309756 /nfs/dbraw/zinc/30/97/56/521309756.db2.gz LIQCXBSOJCQDQG-QGZVFWFLSA-N 0 1 275.392 3.787 20 0 CHADMN CCOc1cccc(CN(CC)Cc2ccncc2)c1 ZINC000289936362 521333975 /nfs/dbraw/zinc/33/39/75/521333975.db2.gz WTLPLPUBXNZITC-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN CCN(Cc1ccccc1)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000338642613 521369406 /nfs/dbraw/zinc/36/94/06/521369406.db2.gz ZBJPALQMAJNZOW-UHFFFAOYSA-N 0 1 293.370 3.534 20 0 CHADMN CCCc1cccc(CNCc2cnc(C)s2)c1 ZINC000274761166 521429849 /nfs/dbraw/zinc/42/98/49/521429849.db2.gz GWNNEZOFZCTGOH-UHFFFAOYSA-N 0 1 260.406 3.694 20 0 CHADMN CCCN(Cc1cocn1)[C@H]1CCc2ccccc21 ZINC000277994690 521692999 /nfs/dbraw/zinc/69/29/99/521692999.db2.gz LCSLELIVRWMHKF-INIZCTEOSA-N 0 1 256.349 3.574 20 0 CHADMN CCSCC[C@@H](C)NCc1ncc(C(F)(F)F)s1 ZINC000278682976 521712967 /nfs/dbraw/zinc/71/29/67/521712967.db2.gz PCWXNKSHPXHFGZ-MRVPVSSYSA-N 0 1 298.399 3.783 20 0 CHADMN CCc1cccc(NC(=O)c2cc3[nH]cnc3cc2F)c1 ZINC000340850194 521765860 /nfs/dbraw/zinc/76/58/60/521765860.db2.gz BDNPZSJTFRVKEL-UHFFFAOYSA-N 0 1 283.306 3.517 20 0 CHADMN CCc1cccc2c1OCC[C@@H]2N[C@H](C)c1cnn(CC)c1 ZINC000271507593 521800389 /nfs/dbraw/zinc/80/03/89/521800389.db2.gz RUCDKQCBYYCIOU-DYVFJYSZSA-N 0 1 299.418 3.640 20 0 CHADMN CCc1cccc2c1OCC[C@@H]2NCc1ccnn1C(C)C ZINC000280841568 521800561 /nfs/dbraw/zinc/80/05/61/521800561.db2.gz KRMSPCIKWUIIES-KRWDZBQOSA-N 0 1 299.418 3.640 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2CCCC(F)(F)C2)cs1 ZINC000334885595 534601240 /nfs/dbraw/zinc/60/12/40/534601240.db2.gz HQRDVFRDGRXFMT-WCBMZHEXSA-N 0 1 260.353 3.680 20 0 CHADMN CC[C@H](C)c1nnc([C@H](C)NC2CC(c3ccccc3)C2)[nH]1 ZINC000277211239 522053713 /nfs/dbraw/zinc/05/37/13/522053713.db2.gz KHRAKRWMTDMPCP-VRLRAXNCSA-N 0 1 298.434 3.915 20 0 CHADMN CC[C@H](CN[C@@H](C)c1cc(C)on1)Oc1cccc(C)c1 ZINC000290791351 522198553 /nfs/dbraw/zinc/19/85/53/522198553.db2.gz UQFXWLNOLRSLEL-LSDHHAIUSA-N 0 1 288.391 3.800 20 0 CHADMN CCc1nc(C)c(CN[C@H]2CCc3cc(Cl)ccc32)o1 ZINC000291946776 522210870 /nfs/dbraw/zinc/21/08/70/522210870.db2.gz QLHFISQVXPPKOK-AWEZNQCLSA-N 0 1 290.794 3.976 20 0 CHADMN CCc1nc(C)c(CN[C@H]2c3ccccc3C[C@@H]2C)o1 ZINC000291935253 522212044 /nfs/dbraw/zinc/21/20/44/522212044.db2.gz PFJOHGBGVUJQNA-APPDUMDISA-N 0 1 270.376 3.569 20 0 CHADMN COc1cc(CN(C)[C@H](C)c2ccccn2)ccc1C ZINC000194587121 522360842 /nfs/dbraw/zinc/36/08/42/522360842.db2.gz HFDZERVGCSBRGV-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN COC[C@@H](N[C@@H](C)c1ccncc1)c1ccc(Cl)cc1 ZINC000193941403 522376271 /nfs/dbraw/zinc/37/62/71/522376271.db2.gz NRKBFKSDPOZBQD-BLLLJJGKSA-N 0 1 290.794 3.773 20 0 CHADMN COC[C@@H](N[C@H](c1ccc(C)cc1)c1ccccn1)C(C)C ZINC000279959612 522380858 /nfs/dbraw/zinc/38/08/58/522380858.db2.gz CGKMUNLCMJWAIS-RTBURBONSA-N 0 1 298.430 3.740 20 0 CHADMN CCc1nc([C@H](C)NCc2ccc(C3CCCC3)cc2)n[nH]1 ZINC000291186596 522451861 /nfs/dbraw/zinc/45/18/61/522451861.db2.gz LKVIAXKNNODYTM-ZDUSSCGKSA-N 0 1 298.434 3.876 20 0 CHADMN CCc1nc2cc(CNCc3ccco3)ccc2n1C1CC1 ZINC000338443367 522482319 /nfs/dbraw/zinc/48/23/19/522482319.db2.gz DNIZQIMXFHQGOK-UHFFFAOYSA-N 0 1 295.386 3.816 20 0 CHADMN CC[C@H](NCc1ccc(C)o1)c1ccc(OC)c(OC)c1 ZINC000053036101 522646682 /nfs/dbraw/zinc/64/66/82/522646682.db2.gz ZWFCLWZMKNTFGY-HNNXBMFYSA-N 0 1 289.375 3.846 20 0 CHADMN CC[C@H](NCc1ccc(F)cn1)c1ccc(F)cc1 ZINC000357551970 522649799 /nfs/dbraw/zinc/64/97/99/522649799.db2.gz VHCKOPWMMKGFGE-HNNXBMFYSA-N 0 1 262.303 3.601 20 0 CHADMN CC[C@H](NCc1cccnc1)c1cc(Cl)ccc1OC ZINC000151079878 522660478 /nfs/dbraw/zinc/66/04/78/522660478.db2.gz IWKFGXKQWWWZIR-HNNXBMFYSA-N 0 1 290.794 3.985 20 0 CHADMN CC[C@H](NCc1n[nH]cc1C)c1ccc(Cl)cc1 ZINC000289832953 522667209 /nfs/dbraw/zinc/66/72/09/522667209.db2.gz JVNFJPLHBHGOLL-ZDUSSCGKSA-N 0 1 263.772 3.612 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2c[nH]nc21)c1cccc(F)c1 ZINC000275861249 522717635 /nfs/dbraw/zinc/71/76/35/522717635.db2.gz MTEPGMQMLMOYGP-LSDHHAIUSA-N 0 1 273.355 3.667 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H]3CCCCC3(F)F)cc2[nH]1 ZINC000332649777 534663886 /nfs/dbraw/zinc/66/38/86/534663886.db2.gz UHUSPOSQBSXZSA-NSHDSACASA-N 0 1 293.317 3.635 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1cccc(F)c1 ZINC000275861246 522923621 /nfs/dbraw/zinc/92/36/21/522923621.db2.gz MTEPGMQMLMOYGP-HUUCEWRRSA-N 0 1 273.355 3.667 20 0 CHADMN COCC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000112355633 522936726 /nfs/dbraw/zinc/93/67/26/522936726.db2.gz NDQIOOFYMCVZGG-UHFFFAOYSA-N 0 1 287.325 3.564 20 0 CHADMN CC[C@H](c1cccc(OC)c1)N(C)Cc1cc(C)no1 ZINC000289424823 522937823 /nfs/dbraw/zinc/93/78/23/522937823.db2.gz NAYGKNSUWMTVAY-MRXNPFEDSA-N 0 1 274.364 3.575 20 0 CHADMN CN(CCc1ccc(F)cc1)Cc1cnc(Cl)s1 ZINC000079317440 522942782 /nfs/dbraw/zinc/94/27/82/522942782.db2.gz HDMUGSMIMQSCBF-UHFFFAOYSA-N 0 1 284.787 3.610 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CCC(=O)[O-])CC(C)C ZINC000262894239 522944062 /nfs/dbraw/zinc/94/40/62/522944062.db2.gz XDFCIBNOOPQXJC-OAHLLOKOSA-N 0 1 263.381 3.570 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2ccccc2OC)cc1 ZINC000088567068 522990038 /nfs/dbraw/zinc/99/00/38/522990038.db2.gz KAVBLPVRNJLJBX-AWEZNQCLSA-N 0 1 285.387 3.692 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)N1CCCOCC1 ZINC000363375177 523088863 /nfs/dbraw/zinc/08/88/63/523088863.db2.gz PZWXTJDTKUQMIY-AWEZNQCLSA-N 0 1 253.773 3.513 20 0 CHADMN CCn1cc(CN(C)[C@@H](C)c2cccc(Cl)c2)cn1 ZINC000072982686 523365082 /nfs/dbraw/zinc/36/50/82/523365082.db2.gz UGPDGKAFLGLMDN-LBPRGKRZSA-N 0 1 277.799 3.749 20 0 CHADMN CO[C@@H](C)CN(Cc1sccc1Cl)C(C)C ZINC000338548542 523411181 /nfs/dbraw/zinc/41/11/81/523411181.db2.gz IZIUUZIWKYHYHP-JTQLQIEISA-N 0 1 261.818 3.647 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H](C)c1ccc(C)cc1C ZINC000296173251 523552340 /nfs/dbraw/zinc/55/23/40/523552340.db2.gz XTEUWJGTRMXKJL-HUUCEWRRSA-N 0 1 271.408 3.932 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)cc1 ZINC000277454754 523944014 /nfs/dbraw/zinc/94/40/14/523944014.db2.gz PRFZSPZXBLMKFG-STQMWFEESA-N 0 1 286.423 3.731 20 0 CHADMN CCc1ccc(CNCc2ccnc(N3CCCCC3)c2)o1 ZINC000130750199 523944305 /nfs/dbraw/zinc/94/43/05/523944305.db2.gz CRCBSBZMSSXRSB-UHFFFAOYSA-N 0 1 299.418 3.517 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccnn2C(C)C)cc1 ZINC000279928231 524046482 /nfs/dbraw/zinc/04/64/82/524046482.db2.gz MZGSJXUTILOPDB-AWEZNQCLSA-N 0 1 271.408 3.877 20 0 CHADMN Cc1ccc2oc(CN(Cc3ccco3)C[C@@H](C)O)cc2c1 ZINC000337190744 524094143 /nfs/dbraw/zinc/09/41/43/524094143.db2.gz RYSSPQGIDAUZLG-CQSZACIVSA-N 0 1 299.370 3.717 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1nc2ccc(F)cc2o1 ZINC000163482708 524190396 /nfs/dbraw/zinc/19/03/96/524190396.db2.gz ICKQJMMJUHIYNM-QWRGUYRKSA-N 0 1 262.328 3.730 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(Br)o2)CC1 ZINC000307414843 524232688 /nfs/dbraw/zinc/23/26/88/524232688.db2.gz KEQAHZRSURACTI-SNVBAGLBSA-N 0 1 272.186 3.664 20 0 CHADMN COc1ccc(F)c(CN(C)C[C@H](C)c2nccs2)c1 ZINC000293523880 524273453 /nfs/dbraw/zinc/27/34/53/524273453.db2.gz DHZWGGANZZOEJS-NSHDSACASA-N 0 1 294.395 3.526 20 0 CHADMN COc1ccc(F)c(CNCc2coc3ccccc23)c1 ZINC000339257306 524278627 /nfs/dbraw/zinc/27/86/27/524278627.db2.gz GPBNNDLYSCASLI-UHFFFAOYSA-N 0 1 285.318 3.870 20 0 CHADMN Cc1ccc(CCCc2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000339385952 524322173 /nfs/dbraw/zinc/32/21/73/524322173.db2.gz BSGSLPXBJQMHEA-HNNXBMFYSA-N 0 1 287.407 3.599 20 0 CHADMN Cc1cccc(C2(c3nc([C@@H](N)CC(C)C)no3)CC2)c1 ZINC000339392346 524332389 /nfs/dbraw/zinc/33/23/89/524332389.db2.gz CXPBWARLTIEZMC-AWEZNQCLSA-N 0 1 285.391 3.504 20 0 CHADMN Cc1ccc(CN(C)C(=O)c2cc(C)cc3c[nH]nc32)s1 ZINC000263964701 524381198 /nfs/dbraw/zinc/38/11/98/524381198.db2.gz UFWVBYLHNXVDIJ-UHFFFAOYSA-N 0 1 299.399 3.513 20 0 CHADMN Cc1ccc(CN(Cc2c(C)cnn2C)C(C)C)s1 ZINC000289418101 524417401 /nfs/dbraw/zinc/41/74/01/524417401.db2.gz ULAIJLKIVRKGDO-UHFFFAOYSA-N 0 1 277.437 3.509 20 0 CHADMN C[C@@H]1CCN(Cc2csc(-c3cccs3)n2)C1 ZINC000299663094 524517619 /nfs/dbraw/zinc/51/76/19/524517619.db2.gz QRIDNCMKYDAJCW-SNVBAGLBSA-N 0 1 264.419 3.713 20 0 CHADMN C[C@H](CO)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000037258494 524566833 /nfs/dbraw/zinc/56/68/33/524566833.db2.gz YEUPWOOQUQUMKW-RNFRBKRXSA-N 0 1 282.598 3.678 20 0 CHADMN Cc1ccc(CNC(C)(C)c2ncc(C)s2)s1 ZINC000080367730 524571320 /nfs/dbraw/zinc/57/13/20/524571320.db2.gz ZNCZBTWVOUGOMI-UHFFFAOYSA-N 0 1 266.435 3.846 20 0 CHADMN Cc1ccc(CNCc2ccccc2OCC(C)C)cn1 ZINC000155541160 524586110 /nfs/dbraw/zinc/58/61/10/524586110.db2.gz XRBLSWCEMHHDJI-UHFFFAOYSA-N 0 1 284.403 3.715 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCOc3ccccc32)o1 ZINC000155494573 524597856 /nfs/dbraw/zinc/59/78/56/524597856.db2.gz QUTUXEJQLSAFEX-OAHLLOKOSA-N 0 1 257.333 3.592 20 0 CHADMN Cc1cc(CN([C@H](C)c2ccccc2)C2CC2)ncn1 ZINC000292551856 524671465 /nfs/dbraw/zinc/67/14/65/524671465.db2.gz QZOIKJILNLRWAZ-CQSZACIVSA-N 0 1 267.376 3.511 20 0 CHADMN Cc1cc(CN2CC[C@H](n3cc(Cl)cn3)C2)c(C)s1 ZINC000290094908 524710793 /nfs/dbraw/zinc/71/07/93/524710793.db2.gz ZSYXYFMZERKWNF-AWEZNQCLSA-N 0 1 295.839 3.662 20 0 CHADMN Cc1cc(CN2C[C@@H](C)C[C@@H]2c2ccccc2F)ncn1 ZINC000292513015 524712515 /nfs/dbraw/zinc/71/25/15/524712515.db2.gz NMMLADDQTNXWDR-YVEFUNNKSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(Cl)cc2)nc(C)n1 ZINC000340624775 524776877 /nfs/dbraw/zinc/77/68/77/524776877.db2.gz YTIMMJJBMVEGHU-LLVKDONJSA-N 0 1 275.783 3.598 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc3c(c2)CCCC3)on1 ZINC000044299477 524778785 /nfs/dbraw/zinc/77/87/85/524778785.db2.gz YUXCWZFBTNXKQM-CYBMUJFWSA-N 0 1 270.376 3.713 20 0 CHADMN Cc1cccc(O[C@H](C)c2nc([C@@H](N)CC(C)C)no2)c1 ZINC000339359009 524783175 /nfs/dbraw/zinc/78/31/75/524783175.db2.gz GJHBXRBRGGDABF-OCCSQVGLSA-N 0 1 289.379 3.564 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H](C)c1cncs1 ZINC000128458784 524783874 /nfs/dbraw/zinc/78/38/74/524783874.db2.gz HDORGLOMACNZOI-QWRGUYRKSA-N 0 1 262.378 3.564 20 0 CHADMN COc1ccncc1CNCc1ccc(C2CCC2)cc1 ZINC000293022548 524855913 /nfs/dbraw/zinc/85/59/13/524855913.db2.gz QTZRNGSROVFYGH-UHFFFAOYSA-N 0 1 282.387 3.648 20 0 CHADMN COc1ccc(OC)c([C@@H](C)NCc2ccc(C)s2)c1 ZINC000035012360 524885696 /nfs/dbraw/zinc/88/56/96/524885696.db2.gz CETBSAXFZZPQKR-GFCCVEGCSA-N 0 1 291.416 3.925 20 0 CHADMN Cc1csc(CNCc2cc(F)ccc2F)c1 ZINC000344617329 534818139 /nfs/dbraw/zinc/81/81/39/534818139.db2.gz UZDGVPQZWPRBGE-UHFFFAOYSA-N 0 1 253.317 3.625 20 0 CHADMN Cc1csc(CN[C@]2(C)CCCc3ccccc32)n1 ZINC000344313896 534819971 /nfs/dbraw/zinc/81/99/71/534819971.db2.gz GAQHPXMLGSJOJA-MRXNPFEDSA-N 0 1 272.417 3.793 20 0 CHADMN COc1ncccc1CN[C@@H](C)c1ccc(SC)cc1 ZINC000037650398 525061527 /nfs/dbraw/zinc/06/15/27/525061527.db2.gz JXUNXCXZLKEQEO-LBPRGKRZSA-N 0 1 288.416 3.663 20 0 CHADMN Cc1ccc(NC(=O)c2cn[nH]c2C(C)(C)C)c(Cl)c1 ZINC000292686567 525231240 /nfs/dbraw/zinc/23/12/40/525231240.db2.gz MOZLZPVPZVHHFQ-UHFFFAOYSA-N 0 1 291.782 3.921 20 0 CHADMN Cc1ccc(N[C@@H](c2cccs2)c2nnc[nH]2)cc1F ZINC000340315094 525313045 /nfs/dbraw/zinc/31/30/45/525313045.db2.gz VNJFAWIYUZDMJT-ZDUSSCGKSA-N 0 1 288.351 3.515 20 0 CHADMN COc1ccc([C@H](C)N[C@H]2CCCc3occc32)cc1O ZINC000289617695 525336067 /nfs/dbraw/zinc/33/60/67/525336067.db2.gz GQEUGUWTLBJTNV-FZMZJTMJSA-N 0 1 287.359 3.722 20 0 CHADMN Cc1ccccc1[C@@H](C)N1CCOc2cc(O)ccc2C1 ZINC000353139090 525350469 /nfs/dbraw/zinc/35/04/69/525350469.db2.gz NVMXSKGLXUBVRV-CQSZACIVSA-N 0 1 283.371 3.656 20 0 CHADMN Cc1ccc(OC(F)F)c([C@@H](C)NCc2cccnc2)c1 ZINC000151078574 525371934 /nfs/dbraw/zinc/37/19/34/525371934.db2.gz HPBAMRIRZQIFRN-GFCCVEGCSA-N 0 1 292.329 3.842 20 0 CHADMN Cc1ccccc1[C@H](CC(C)C)NCc1ccnc(C)n1 ZINC000339257868 525423960 /nfs/dbraw/zinc/42/39/60/525423960.db2.gz IUKXPDMOJJINJD-SFHVURJKSA-N 0 1 283.419 3.970 20 0 CHADMN C[C@@H](NCCC(F)(F)F)c1ccc(F)cc1F ZINC000059313276 525430838 /nfs/dbraw/zinc/43/08/38/525430838.db2.gz MDKBFWAGGUEMTP-SSDOTTSWSA-N 0 1 253.214 3.568 20 0 CHADMN Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2ncnn2C(C)C)C1 ZINC000279960952 525444160 /nfs/dbraw/zinc/44/41/60/525444160.db2.gz IGYNCVAEYDJCHT-CVEARBPZSA-N 0 1 298.434 3.545 20 0 CHADMN C[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)c1ccc2c(c1)OCO2 ZINC000237576421 525451083 /nfs/dbraw/zinc/45/10/83/525451083.db2.gz BIBIHGIDJVKBOE-HUBLWGQQSA-N 0 1 299.370 3.983 20 0 CHADMN C[C@H](NCc1cccc2c1OCCCO2)c1cccs1 ZINC000036168179 525458276 /nfs/dbraw/zinc/45/82/76/525458276.db2.gz XZHHDMXGGZBACM-LBPRGKRZSA-N 0 1 289.400 3.760 20 0 CHADMN C[C@H](NCc1ccccc1N(C)C)c1ccccc1F ZINC000263862961 525461281 /nfs/dbraw/zinc/46/12/81/525461281.db2.gz XDMZVKNYKJFZRV-ZDUSSCGKSA-N 0 1 272.367 3.743 20 0 CHADMN C[C@@H]1C[C@H]1[C@@H](NCc1ccn(C)n1)c1ccc(Cl)cc1 ZINC000266154190 525500727 /nfs/dbraw/zinc/50/07/27/525500727.db2.gz LJAFBRUXILZDLD-LYRGGWFBSA-N 0 1 289.810 3.560 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNCCC(=O)Nc2ccccc2)o1 ZINC000237459648 525507629 /nfs/dbraw/zinc/50/76/29/525507629.db2.gz QYCXKYCGRLRQSO-CZUORRHYSA-N 0 1 298.386 3.521 20 0 CHADMN C[C@@H](NC[C@](C)(O)c1ccccc1)c1c(F)cccc1F ZINC000264899807 525508498 /nfs/dbraw/zinc/50/84/98/525508498.db2.gz VVGCFQYIUCROKL-PXAZEXFGSA-N 0 1 291.341 3.523 20 0 CHADMN Cc1cc([C@H](C)NCCCn2ccc3ccccc32)no1 ZINC000289693923 525516279 /nfs/dbraw/zinc/51/62/79/525516279.db2.gz KCXRMMQMAYLTEJ-AWEZNQCLSA-N 0 1 283.375 3.679 20 0 CHADMN C[C@@H](NCc1ccc(CO)o1)c1cc2ccccc2s1 ZINC000266243722 525521121 /nfs/dbraw/zinc/52/11/21/525521121.db2.gz YHHYKAYOWPTAAN-LLVKDONJSA-N 0 1 287.384 3.837 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc([C@H](C)O)cc2)c(C)o1 ZINC000278222858 525521983 /nfs/dbraw/zinc/52/19/83/525521983.db2.gz JFNOIBRVHRKFHC-STQMWFEESA-N 0 1 273.376 3.801 20 0 CHADMN Cc1cccnc1CNCc1cc(C)c(C)cc1C ZINC000071339805 525524302 /nfs/dbraw/zinc/52/43/02/525524302.db2.gz VGAZVFAOEHDSPC-UHFFFAOYSA-N 0 1 254.377 3.605 20 0 CHADMN Cc1cccnc1CNCc1ccc(Cl)cc1C ZINC000129504012 525524828 /nfs/dbraw/zinc/52/48/28/525524828.db2.gz QPWJRNADEYLGFV-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2nccnc2C)ccc1F ZINC000275882086 525525561 /nfs/dbraw/zinc/52/55/61/525525561.db2.gz PIFFUPPUWLBDPS-AAEUAGOBSA-N 0 1 273.355 3.644 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1coc(-c2ccccc2)n1 ZINC000072666015 525527452 /nfs/dbraw/zinc/52/74/52/525527452.db2.gz QEDQLAQRJDMRLR-CYBMUJFWSA-N 0 1 290.432 3.915 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)CCCC2)c1ccccn1 ZINC000291841213 525527887 /nfs/dbraw/zinc/52/78/87/525527887.db2.gz CMSXDINTLUIODL-CQSZACIVSA-N 0 1 266.388 3.811 20 0 CHADMN C[C@@H](NCc1ccsc1)c1ccc(Cl)nc1 ZINC000126827637 525545368 /nfs/dbraw/zinc/54/53/68/525545368.db2.gz MUOPRSUFACCMDX-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN C[C@@H](NCc1coc2ccccc12)c1cncc(F)c1 ZINC000339408209 525553162 /nfs/dbraw/zinc/55/31/62/525553162.db2.gz RNMNWCVPHUVYLJ-LLVKDONJSA-N 0 1 270.307 3.818 20 0 CHADMN C[C@@H](NCc1cncn1C)c1ccc(Cl)c(Cl)c1 ZINC000112337935 525553896 /nfs/dbraw/zinc/55/38/96/525553896.db2.gz XUIRUCDNDDKHNM-SECBINFHSA-N 0 1 284.190 3.578 20 0 CHADMN C[C@@H](NCc1coc2ccccc12)c1cncs1 ZINC000340427238 525557497 /nfs/dbraw/zinc/55/74/97/525557497.db2.gz PECURQGNCXSEOB-SNVBAGLBSA-N 0 1 258.346 3.740 20 0 CHADMN COc1ccc2c(c1)OCC[C@H]2N[C@H](C)c1cccc(O)c1 ZINC000369106555 525560501 /nfs/dbraw/zinc/56/05/01/525560501.db2.gz JPBFVRLQULXIPP-SJKOYZFVSA-N 0 1 299.370 3.575 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@H]1c1ccccc1)c1nc(C2CC2)no1 ZINC000275678300 525561539 /nfs/dbraw/zinc/56/15/39/525561539.db2.gz YMEWTXFVQQWOBO-VBNZEHGJSA-N 0 1 297.402 3.934 20 0 CHADMN C[C@@H](N[C@@H](C)CO)c1ccc(Cl)c(Cl)c1Cl ZINC000037258492 525598841 /nfs/dbraw/zinc/59/88/41/525598841.db2.gz YEUPWOOQUQUMKW-NKWVEPMBSA-N 0 1 282.598 3.678 20 0 CHADMN C[C@H](N[C@H]1CCCc2ccc(O)cc21)c1cccnc1 ZINC000235542835 525613659 /nfs/dbraw/zinc/61/36/59/525613659.db2.gz PBZQUHOKOJXMOS-SJCJKPOMSA-N 0 1 268.360 3.515 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1ccncc1 ZINC000037118468 525627320 /nfs/dbraw/zinc/62/73/20/525627320.db2.gz YFUROGJRZFWNCK-HNNXBMFYSA-N 0 1 270.376 3.786 20 0 CHADMN CSC[C@@H](C)Nc1cc(C)nc2ccc(F)cc21 ZINC000301677346 525634930 /nfs/dbraw/zinc/63/49/30/525634930.db2.gz QNMTZRIBVJINRF-SNVBAGLBSA-N 0 1 264.369 3.846 20 0 CHADMN C[C@H](N[C@H]1C[C@H](c2ccccc2)C1)c1cscn1 ZINC000280871290 525638195 /nfs/dbraw/zinc/63/81/95/525638195.db2.gz OFGQNPPUCCZLMX-UBHSHLNASA-N 0 1 258.390 3.740 20 0 CHADMN C[C@@H](N[C@@H]1CC[C@@H](C)C1)c1nc(-c2cccc(F)c2)no1 ZINC000275530579 525649957 /nfs/dbraw/zinc/64/99/57/525649957.db2.gz BPPSKUZAYLWBFC-JTNHKYCSSA-N 0 1 289.354 3.715 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccc1F)c1cccc(O)c1 ZINC000037151472 525662709 /nfs/dbraw/zinc/66/27/09/525662709.db2.gz SDWKUKYAIOFPBX-VXGBXAGGSA-N 0 1 259.324 3.943 20 0 CHADMN Cc1c(C)c(C)c(CN[C@@H](C)c2ccc(=O)[nH]n2)c(C)c1C ZINC000353616566 525675226 /nfs/dbraw/zinc/67/52/26/525675226.db2.gz BIVIMMRIRDTBPO-HNNXBMFYSA-N 0 1 299.418 3.575 20 0 CHADMN CSCc1cnc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)s1 ZINC000353157774 525747366 /nfs/dbraw/zinc/74/73/66/525747366.db2.gz WLDFDJJOJGBXAG-WOPDTQHZSA-N 0 1 284.494 3.873 20 0 CHADMN C[C@H](O)CN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000248646924 525750922 /nfs/dbraw/zinc/75/09/22/525750922.db2.gz HZLLBFYWZSWODJ-ZANVPECISA-N 0 1 274.191 3.511 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CC[C@@H](C)[C@@H](C)C2)s1 ZINC000353538316 534879830 /nfs/dbraw/zinc/87/98/30/534879830.db2.gz GYQAZOVVRUDHFO-BDAKNGLRSA-N 0 1 292.370 3.948 20 0 CHADMN Cc1ccc(-c2cnc(CN3CCCSCC3)o2)cc1 ZINC000129141568 525770132 /nfs/dbraw/zinc/77/01/32/525770132.db2.gz AMIVBDSNTQGZGS-UHFFFAOYSA-N 0 1 288.416 3.589 20 0 CHADMN Cc1ccoc1CN[C@@H](c1ncccc1C)C(C)C ZINC000266202133 525807473 /nfs/dbraw/zinc/80/74/73/525807473.db2.gz LRMPDVOSZQWSLS-OAHLLOKOSA-N 0 1 258.365 3.778 20 0 CHADMN Cc1ccoc1CN[C@@H]1CCCc2nc(C)sc21 ZINC000272517638 525807710 /nfs/dbraw/zinc/80/77/10/525807710.db2.gz IOIHIHDPHVGYGN-LLVKDONJSA-N 0 1 262.378 3.520 20 0 CHADMN Cc1ccoc1CN[C@H]1CC(C)(C)Cc2occc21 ZINC000293269435 525808089 /nfs/dbraw/zinc/80/80/89/525808089.db2.gz CHCGWAMNTZTIPC-ZDUSSCGKSA-N 0 1 259.349 3.984 20 0 CHADMN Cc1ccc(-c2nnc(CN(C)CC(C)(C)C)o2)cc1 ZINC000339250968 525845715 /nfs/dbraw/zinc/84/57/15/525845715.db2.gz PCAGZKXRESTHMJ-UHFFFAOYSA-N 0 1 273.380 3.523 20 0 CHADMN Cc1c([C@@H](C)N[C@@H](C)c2csc(Cl)c2)cnn1C ZINC000191167573 525903196 /nfs/dbraw/zinc/90/31/96/525903196.db2.gz YCOVRDJFBOHJLR-DTWKUNHWSA-N 0 1 283.828 3.855 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc3c2OCO3)s1 ZINC000040667051 525927329 /nfs/dbraw/zinc/92/73/29/525927329.db2.gz HDFCSMUDXHCCTK-NSHDSACASA-N 0 1 275.373 3.636 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2C[C@@H](C)n3ccnc32)cc1C ZINC000297619562 525945171 /nfs/dbraw/zinc/94/51/71/525945171.db2.gz IUQGMBQWMCQZPU-YCPHGPKFSA-N 0 1 269.392 3.857 20 0 CHADMN Cc1ccc([C@H](N[C@@H]2CCSC2)c2ccccn2)cc1 ZINC000279681812 525971803 /nfs/dbraw/zinc/97/18/03/525971803.db2.gz OUOOVLIDEZKXBX-WBVHZDCISA-N 0 1 284.428 3.575 20 0 CHADMN CSc1ccc(C)c(NC(=O)c2ccc3cncn3c2)c1 ZINC000340003708 525982612 /nfs/dbraw/zinc/98/26/12/525982612.db2.gz CXVCNAZWRHYQQJ-UHFFFAOYSA-N 0 1 297.383 3.617 20 0 CHADMN COc1cccc(CNCc2cc(Cl)cs2)c1OC ZINC000193013448 526023721 /nfs/dbraw/zinc/02/37/21/526023721.db2.gz ILRBOPQGYUUDNT-UHFFFAOYSA-N 0 1 297.807 3.709 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000289777471 526030115 /nfs/dbraw/zinc/03/01/15/526030115.db2.gz GUNMMFSSFDTQPP-OAHLLOKOSA-N 0 1 277.799 3.858 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)N(C)CCCCO ZINC000264029933 526034185 /nfs/dbraw/zinc/03/41/85/526034185.db2.gz ZQTTVMCWXOUWRY-SNVBAGLBSA-N 0 1 276.207 3.759 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(C(F)(F)F)c(C)c1 ZINC000290436799 526035901 /nfs/dbraw/zinc/03/59/01/526035901.db2.gz NLGWWUZUXFNLOH-UHFFFAOYSA-N 0 1 269.270 3.657 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2ccnc(N)c2)o1 ZINC000299213695 526038999 /nfs/dbraw/zinc/03/89/99/526038999.db2.gz HSUBZUPZYZOVAO-IUODEOHRSA-N 0 1 285.391 3.538 20 0 CHADMN Cc1cc(-c2nc([C@@H](N)CC(C)C)no2)c(Cl)cc1F ZINC000339357334 526055609 /nfs/dbraw/zinc/05/56/09/526055609.db2.gz CSSIQZCNMFKGAF-LBPRGKRZSA-N 0 1 297.761 3.883 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262175318 526070800 /nfs/dbraw/zinc/07/08/00/526070800.db2.gz PLTBRWGYFQHVTM-DETPVDSQSA-N 0 1 293.794 3.588 20 0 CHADMN CSc1ccc([C@H](C)NCc2ccccn2)cc1 ZINC000019958084 526072952 /nfs/dbraw/zinc/07/29/52/526072952.db2.gz KBQCUZWLWGHWOR-LBPRGKRZSA-N 0 1 258.390 3.654 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)CCC3CC3)[nH]c2c1 ZINC000265146892 526105068 /nfs/dbraw/zinc/10/50/68/526105068.db2.gz BJGXWNANXTVTCF-INIZCTEOSA-N 0 1 297.402 3.725 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226454933 526112535 /nfs/dbraw/zinc/11/25/35/526112535.db2.gz SLTCCBIBLSCRFY-OLZOCXBDSA-N 0 1 295.810 3.978 20 0 CHADMN C[C@H](c1ccco1)N(C)CC1=Cc2ccccc2OC1 ZINC000131089733 526144161 /nfs/dbraw/zinc/14/41/61/526144161.db2.gz SUNHFQFVWFPAGA-CYBMUJFWSA-N 0 1 269.344 3.748 20 0 CHADMN C[C@H](c1nc(-c2ccccc2)no1)N1CCC(C)(C)C1 ZINC000076013078 526168893 /nfs/dbraw/zinc/16/88/93/526168893.db2.gz LZTDCOVRUSVJSH-GFCCVEGCSA-N 0 1 271.364 3.530 20 0 CHADMN C[C@@H](c1nc2ccccc2n1C(F)F)N1CC[C@H](C)C1 ZINC000299628911 526172714 /nfs/dbraw/zinc/17/27/14/526172714.db2.gz KUNZMRHVQYWWMP-QWRGUYRKSA-N 0 1 279.334 3.834 20 0 CHADMN CSc1ccsc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000339388588 526194703 /nfs/dbraw/zinc/19/47/03/526194703.db2.gz FYTFLNDMGYYWOV-QMMMGPOBSA-N 0 1 283.422 3.566 20 0 CHADMN Cc1cncc([C@H](C)N[C@@H]2COc3c2ccc(C)c3C)c1 ZINC000274671054 526217606 /nfs/dbraw/zinc/21/76/06/526217606.db2.gz YAZRQWGIFDCSOP-WMLDXEAASA-N 0 1 282.387 3.791 20 0 CHADMN Cc1cnn([C@H]2CCN([C@H](C)c3ccc(Cl)cc3)C2)c1 ZINC000290084772 526269507 /nfs/dbraw/zinc/26/95/07/526269507.db2.gz ZFZQKEYBYZXSBU-CJNGLKHVSA-N 0 1 289.810 3.853 20 0 CHADMN Cc1coc(-c2ccc(C)c(NCc3[nH]ncc3C)c2)n1 ZINC000289526013 526272153 /nfs/dbraw/zinc/27/21/53/526272153.db2.gz ODRSRDGQHWSCAX-UHFFFAOYSA-N 0 1 282.347 3.602 20 0 CHADMN Fc1cc(Cl)cc(CN2CCC(c3ncc[nH]3)CC2)c1 ZINC000275233254 526299968 /nfs/dbraw/zinc/29/99/68/526299968.db2.gz FLGONEVPFFLNNR-UHFFFAOYSA-N 0 1 293.773 3.582 20 0 CHADMN Fc1ccc(N[C@H](c2nnc[nH]2)C2CCCCC2)cc1F ZINC000292082474 526356133 /nfs/dbraw/zinc/35/61/33/526356133.db2.gz IFWODBZMLIXCQC-AWEZNQCLSA-N 0 1 292.333 3.816 20 0 CHADMN Cc1csc(CN[C@@H](C)c2sccc2C)n1 ZINC000069636752 526360141 /nfs/dbraw/zinc/36/01/41/526360141.db2.gz ROZPVBYHVPIXFZ-JTQLQIEISA-N 0 1 252.408 3.672 20 0 CHADMN Fc1ccc([C@@H](NCc2cc[nH]n2)C2CCCC2)cc1 ZINC000066990762 526360753 /nfs/dbraw/zinc/36/07/53/526360753.db2.gz GLLSNISDUWGHBW-INIZCTEOSA-N 0 1 273.355 3.570 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000263578929 526364888 /nfs/dbraw/zinc/36/48/88/526364888.db2.gz TZBNONUIQQBTIG-GOSISDBHSA-N 0 1 295.382 3.592 20 0 CHADMN Cc1csc([C@@H](C)C[NH2+]Cc2cccc([O-])c2Cl)n1 ZINC000293169071 526405827 /nfs/dbraw/zinc/40/58/27/526405827.db2.gz GKKMGTVMVLJBCF-VIFPVBQESA-N 0 1 296.823 3.704 20 0 CHADMN O=C(CCN1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000088436018 526483349 /nfs/dbraw/zinc/48/33/49/526483349.db2.gz SNUASOZOQFZYLT-UHFFFAOYSA-N 0 1 285.309 3.534 20 0 CHADMN Cc1noc(C)c1CNCc1ccc(C(C)C)cc1 ZINC000067251798 526515206 /nfs/dbraw/zinc/51/52/06/526515206.db2.gz IFMMMAXVGFKDOV-UHFFFAOYSA-N 0 1 258.365 3.705 20 0 CHADMN c1coc(CN(Cc2ccncc2)C2CCCC2)c1 ZINC000130251606 526566545 /nfs/dbraw/zinc/56/65/45/526566545.db2.gz RUQQCNOYKDAPDX-UHFFFAOYSA-N 0 1 256.349 3.619 20 0 CHADMN c1nc(CN[C@@H]2CCC[C@@H]2c2ccccc2)oc1C1CC1 ZINC000275553777 526598743 /nfs/dbraw/zinc/59/87/43/526598743.db2.gz CQUVQMLRRYEYOO-HZPDHXFCSA-N 0 1 282.387 3.978 20 0 CHADMN Brc1cscc1CN1CC[C@@H](C2CC2)C1 ZINC000347860905 526654394 /nfs/dbraw/zinc/65/43/94/526654394.db2.gz SKVCHCHYMZQNHL-SNVBAGLBSA-N 0 1 286.238 3.743 20 0 CHADMN Cc1nocc1CNC1(c2ccc(F)cc2)CCCC1 ZINC000339220851 526689135 /nfs/dbraw/zinc/68/91/35/526689135.db2.gz UNTODRWVTSSIDH-UHFFFAOYSA-N 0 1 274.339 3.681 20 0 CHADMN Cc1nocc1CNCc1ccc(C(F)(F)F)cc1C ZINC000339369721 526692724 /nfs/dbraw/zinc/69/27/24/526692724.db2.gz VSFPEFWLFDVMLV-UHFFFAOYSA-N 0 1 284.281 3.600 20 0 CHADMN Cc1nocc1CNCc1ccc(C(C)(C)C)cc1 ZINC000293483939 526692755 /nfs/dbraw/zinc/69/27/55/526692755.db2.gz GCBGWPHKFUHLEB-UHFFFAOYSA-N 0 1 258.365 3.570 20 0 CHADMN Cc1nocc1CN[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000293202758 526695168 /nfs/dbraw/zinc/69/51/68/526695168.db2.gz ISVDRUGETMMUBH-MRXNPFEDSA-N 0 1 274.339 3.671 20 0 CHADMN Cc1nocc1CN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000339289798 526696822 /nfs/dbraw/zinc/69/68/22/526696822.db2.gz IKUQXCCHXNKHLN-CYBMUJFWSA-N 0 1 293.370 3.896 20 0 CHADMN Cc1nc(C)c([C@H](C)NCc2cc(F)ccc2F)s1 ZINC000040445685 526752929 /nfs/dbraw/zinc/75/29/29/526752929.db2.gz SHGHIBIXAHAXFT-QMMMGPOBSA-N 0 1 282.359 3.889 20 0 CHADMN Cc1oc2ccccc2c1CN1CC2(CCC2(F)F)C1 ZINC000356531757 526786084 /nfs/dbraw/zinc/78/60/84/526786084.db2.gz RSIXGRFVNMVTPO-UHFFFAOYSA-N 0 1 277.314 3.972 20 0 CHADMN Cc1oc2ccccc2c1CN[C@@H](C)c1cnc(C)nc1C ZINC000274344985 526788298 /nfs/dbraw/zinc/78/82/98/526788298.db2.gz DXKYTRHAKRMXHQ-NSHDSACASA-N 0 1 295.386 3.999 20 0 CHADMN Cc1nc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)cs1 ZINC000366667349 526894848 /nfs/dbraw/zinc/89/48/48/526894848.db2.gz NRNBOZZMWXMXSQ-MQMHXKEQSA-N 0 1 276.380 3.626 20 0 CHADMN Cc1sccc1CN[C@@H](CO)c1ccc(Cl)cc1 ZINC000293394078 526916544 /nfs/dbraw/zinc/91/65/44/526916544.db2.gz XJCKPWDXRFKNHB-AWEZNQCLSA-N 0 1 281.808 3.533 20 0 CHADMN Cc1sccc1CNc1ccc2c(c1)CN(C)C2 ZINC000293182518 526922126 /nfs/dbraw/zinc/92/21/26/526922126.db2.gz HHSWCMSETOBECB-UHFFFAOYSA-N 0 1 258.390 3.614 20 0 CHADMN Clc1ccc(-c2cnc(CN3CCCC3)o2)cc1 ZINC000041362214 526933283 /nfs/dbraw/zinc/93/32/83/526933283.db2.gz PLYXKLGGGKONAD-UHFFFAOYSA-N 0 1 262.740 3.591 20 0 CHADMN Clc1ccc2sc(CNC[C@H]3CCC=CO3)nc2c1 ZINC000278835722 526970642 /nfs/dbraw/zinc/97/06/42/526970642.db2.gz JEAYGWCANXNOHA-LLVKDONJSA-N 0 1 294.807 3.732 20 0 CHADMN Cn1c2ccccc2nc1CNC1(c2ccccc2)CCC1 ZINC000066991344 527115291 /nfs/dbraw/zinc/11/52/91/527115291.db2.gz GMNHCKZGEPOEDC-UHFFFAOYSA-N 0 1 291.398 3.742 20 0 CHADMN NC1(c2noc([C@@H]3CC[C@H]4CCCC[C@@H]4C3)n2)CCCC1 ZINC000227880661 527134325 /nfs/dbraw/zinc/13/43/25/527134325.db2.gz ZHYPAUJWAHTCGG-MGPQQGTHSA-N 0 1 289.423 3.872 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2C[C@H](C)CCC[C@@H]2C)[nH]1 ZINC000338575130 527152324 /nfs/dbraw/zinc/15/23/24/527152324.db2.gz WREBAKOXHHJXCJ-NEPJUHHUSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1ncc(CN[C@H](C)c2cc(F)cc(F)c2)s1 ZINC000094827174 527277260 /nfs/dbraw/zinc/27/72/60/527277260.db2.gz PVXRKHXUVFRCCR-MRVPVSSYSA-N 0 1 268.332 3.581 20 0 CHADMN Cn1cncc1CNCc1ccc(C2CCCCC2)cc1 ZINC000292814936 527509236 /nfs/dbraw/zinc/50/92/36/527509236.db2.gz WNXGEHPRNCLDQG-UHFFFAOYSA-N 0 1 283.419 3.758 20 0 CHADMN Cc1ncsc1CNCc1ccc(F)c(Cl)c1 ZINC000088869958 527511250 /nfs/dbraw/zinc/51/12/50/527511250.db2.gz IAUSKQONWKRIET-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN OCCC[C@H]1CCCN1Cc1cscc1C(F)(F)F ZINC000356186575 527546965 /nfs/dbraw/zinc/54/69/65/527546965.db2.gz BAEDVILLANFBGD-LLVKDONJSA-N 0 1 293.354 3.504 20 0 CHADMN O=C([O-])CCC[N@@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000262170467 527584376 /nfs/dbraw/zinc/58/43/76/527584376.db2.gz CHUXHOPTCGFWKJ-UHFFFAOYSA-N 0 1 293.382 3.825 20 0 CHADMN OC[C@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000062998951 527610001 /nfs/dbraw/zinc/61/00/01/527610001.db2.gz QKVCXDKQZRETNX-HNNXBMFYSA-N 0 1 295.304 3.529 20 0 CHADMN FC(F)(F)COCSc1nc2ccc(Cl)cc2[nH]1 ZINC000278503007 527670538 /nfs/dbraw/zinc/67/05/38/527670538.db2.gz CZIRXCWJGIJCQO-UHFFFAOYSA-N 0 1 296.701 3.845 20 0 CHADMN FC(F)(F)c1cccc([C@H]2C[C@H](NCc3cocn3)C2)c1 ZINC000280733011 527686149 /nfs/dbraw/zinc/68/61/49/527686149.db2.gz WBLAWYGGJIJVGA-AULYBMBSSA-N 0 1 296.292 3.729 20 0 CHADMN CC(C)CCn1cccc1CN(C)C[C@@H]1CCCCO1 ZINC000352669703 527887168 /nfs/dbraw/zinc/88/71/68/527887168.db2.gz AWCIOBRWSOKMCL-KRWDZBQOSA-N 0 1 278.440 3.535 20 0 CHADMN CCO[C@H](C)c1nc(CN(C)[C@H](C)C(C)C)cs1 ZINC000347052134 528011038 /nfs/dbraw/zinc/01/10/38/528011038.db2.gz OHEPHNFECINCCY-VXGBXAGGSA-N 0 1 270.442 3.717 20 0 CHADMN CCCC1(C(=O)Nc2ccc3c(C)[nH]nc3c2)CCC1 ZINC000354989814 528034890 /nfs/dbraw/zinc/03/48/90/528034890.db2.gz ISGBCVHHQFRFHM-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN CCOc1cc(C(=O)Nc2ccc3nc[nH]c3c2)ccc1C ZINC000352630825 528238619 /nfs/dbraw/zinc/23/86/19/528238619.db2.gz RFDGZCZWOCBZAP-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN CCCCC[C@@H]1CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000355019742 528260143 /nfs/dbraw/zinc/26/01/43/528260143.db2.gz QFEMBXWZUGHUTC-CQSZACIVSA-N 0 1 285.391 3.748 20 0 CHADMN CC(C)c1nc(CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cs1 ZINC000344153138 528283702 /nfs/dbraw/zinc/28/37/02/528283702.db2.gz YOZOTJROWZJASF-MCIONIFRSA-N 0 1 294.464 3.560 20 0 CHADMN CCN(CCC1CC1)Cc1cc(-c2ccco2)on1 ZINC000355038422 528425739 /nfs/dbraw/zinc/42/57/39/528425739.db2.gz RBAJFCDMQSEHTH-UHFFFAOYSA-N 0 1 260.337 3.557 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1Cc1csc(COC)n1 ZINC000353997027 528444870 /nfs/dbraw/zinc/44/48/70/528444870.db2.gz HFJVJCUZNDGMPY-OCCSQVGLSA-N 0 1 282.453 3.690 20 0 CHADMN CCCCOC1CCN(c2ccnc(C)c2Cl)CC1 ZINC000353850328 528572713 /nfs/dbraw/zinc/57/27/13/528572713.db2.gz VYTSSWRVGGGNMQ-UHFFFAOYSA-N 0 1 282.815 3.829 20 0 CHADMN CC(C)n1cc([C@@H](C)NCc2ccc3ccccc3n2)cn1 ZINC000344409360 528575882 /nfs/dbraw/zinc/57/58/82/528575882.db2.gz MWUBEDQSNWUMKN-CQSZACIVSA-N 0 1 294.402 3.863 20 0 CHADMN CCN(CCc1cccs1)Cc1ccncc1Cl ZINC000350698495 528598750 /nfs/dbraw/zinc/59/87/50/528598750.db2.gz ANJZWXOYVDFKOJ-UHFFFAOYSA-N 0 1 280.824 3.861 20 0 CHADMN CCCOc1cc(C)ccc1CNCc1cnccc1C ZINC000354491137 528617544 /nfs/dbraw/zinc/61/75/44/528617544.db2.gz CWQMQCJCNFJDRR-UHFFFAOYSA-N 0 1 284.403 3.777 20 0 CHADMN CC(C)[C@@H]1C[C@H](Nc2cc3c(cn2)CCC3)CS1 ZINC000354540811 528787047 /nfs/dbraw/zinc/78/70/47/528787047.db2.gz NRJVVJWPKWXMLF-KBPBESRZSA-N 0 1 262.422 3.512 20 0 CHADMN CCCn1cc(CN2Cc3ccccc3C(C)(C)C2)cn1 ZINC000353679044 528844247 /nfs/dbraw/zinc/84/42/47/528844247.db2.gz FWIJMFPBXXFSQP-UHFFFAOYSA-N 0 1 283.419 3.587 20 0 CHADMN CCC(CC)[C@H](CCNCc1csc(C2CC2)n1)OC ZINC000344830063 528851574 /nfs/dbraw/zinc/85/15/74/528851574.db2.gz RTXWONUOOLIKNS-HNNXBMFYSA-N 0 1 296.480 3.951 20 0 CHADMN CC(C)N(Cc1nc2ccccc2n1C)Cc1ccccc1 ZINC000356047867 528967452 /nfs/dbraw/zinc/96/74/52/528967452.db2.gz ZVYPRVLVQFVUGE-UHFFFAOYSA-N 0 1 293.414 3.984 20 0 CHADMN CCC1(C)CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000353122845 529022536 /nfs/dbraw/zinc/02/25/36/529022536.db2.gz HEIURIJQENZKCE-UHFFFAOYSA-N 0 1 257.381 3.575 20 0 CHADMN CCCCc1nc2ccc(NC(=O)c3c[nH]cc3C)cc2[nH]1 ZINC000344452888 529047350 /nfs/dbraw/zinc/04/73/50/529047350.db2.gz TYFXUGPGJDHYTO-UHFFFAOYSA-N 0 1 296.374 3.794 20 0 CHADMN CCC1(CC)CCN(Cc2nc3ccccc3[nH]2)C1 ZINC000353611741 529056758 /nfs/dbraw/zinc/05/67/58/529056758.db2.gz FCRAGXURLAGAPR-UHFFFAOYSA-N 0 1 257.381 3.575 20 0 CHADMN CC(C)[C@H](NC1CC2(CCC2)C1)c1nc(C2CC2)no1 ZINC000333572342 529117053 /nfs/dbraw/zinc/11/70/53/529117053.db2.gz IUCICBAPCNUDIQ-ZDUSSCGKSA-N 0 1 275.396 3.566 20 0 CHADMN CC(C)[C@H](NCc1cccs1)c1ccc(F)cn1 ZINC000353334069 529123261 /nfs/dbraw/zinc/12/32/61/529123261.db2.gz FKFXDELKDXNZLG-AWEZNQCLSA-N 0 1 264.369 3.769 20 0 CHADMN CC[C@H]1CCCCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000352406223 529196322 /nfs/dbraw/zinc/19/63/22/529196322.db2.gz CULVCEIIKQLSPL-AWEZNQCLSA-N 0 1 285.391 3.666 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1csc(COC)n1)C1CC1 ZINC000353310500 529203020 /nfs/dbraw/zinc/20/30/20/529203020.db2.gz RZMAHPJEPFQXRA-NWDGAFQWSA-N 0 1 282.453 3.689 20 0 CHADMN CC[C@H](NCc1ccc2[nH]c(C)c(C)c2c1)c1nccn1C ZINC000341762333 535918231 /nfs/dbraw/zinc/91/82/31/535918231.db2.gz UAIYTCLJOUVZQU-INIZCTEOSA-N 0 1 296.418 3.759 20 0 CHADMN O=C([O-])c1ccoc1C[N@@H+](CC1CC1)C1CCCCC1 ZINC000584356375 599773047 /nfs/dbraw/zinc/77/30/47/599773047.db2.gz KZFCXHIALJVPAA-UHFFFAOYSA-N 0 1 277.364 3.523 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+](CC1CC1)C1CCCCC1 ZINC000564577143 599773053 /nfs/dbraw/zinc/77/30/53/599773053.db2.gz OGQBFRDLNVIACZ-UHFFFAOYSA-N 0 1 291.391 3.831 20 0 CHADMN Cc1ccc(C2=CC[N@@H+](Cc3cc(C(=O)[O-])co3)CC2)cc1 ZINC000738583214 599846503 /nfs/dbraw/zinc/84/65/03/599846503.db2.gz OXTRTMTYALQELZ-UHFFFAOYSA-N 0 1 297.354 3.576 20 0 CHADMN C[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1cccc2ccccc21 ZINC000737454631 599848057 /nfs/dbraw/zinc/84/80/57/599848057.db2.gz XYXVGXWSUFNNDV-UHFFFAOYSA-N 0 1 295.338 3.763 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](Cc1cc(C(=O)[O-])co1)C1CC1 ZINC000736726053 599849463 /nfs/dbraw/zinc/84/94/63/599849463.db2.gz XIDJWDSFRCBMSJ-GFCCVEGCSA-N 0 1 285.343 3.703 20 0 CHADMN CC(C)[N@@H+](Cc1ccco1)Cc1ccc(F)cc1C(=O)[O-] ZINC000568520560 600089844 /nfs/dbraw/zinc/08/98/44/600089844.db2.gz GLYSTJVWLHATTN-UHFFFAOYSA-N 0 1 291.322 3.528 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C)c(C(=O)[O-])o2)o1 ZINC000584356388 600217851 /nfs/dbraw/zinc/21/78/51/600217851.db2.gz LOLAHKGHJMWCQK-ZDUSSCGKSA-N 0 1 289.331 3.525 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCCC[C@H]2c2ccco2)o1 ZINC000566359057 600262132 /nfs/dbraw/zinc/26/21/32/600262132.db2.gz DNWAHRSPLUQWSW-ZDUSSCGKSA-N 0 1 289.331 3.688 20 0 CHADMN C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000736840329 600441567 /nfs/dbraw/zinc/44/15/67/600441567.db2.gz MAXGAVNEPCUMOS-LBPRGKRZSA-N 0 1 299.345 3.643 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000519637600 600629685 /nfs/dbraw/zinc/62/96/85/600629685.db2.gz DFGPFPFOPBTXND-LRDDRELGSA-N 0 1 299.370 3.664 20 0 CHADMN O=C([O-])c1ccc(CCNc2cc[nH+]c3ccsc32)cc1 ZINC000833313914 600810507 /nfs/dbraw/zinc/81/05/07/600810507.db2.gz AXJXBKRAXHYANY-UHFFFAOYSA-N 0 1 298.367 3.649 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])o2)[C@@H](c2ccco2)C1 ZINC000579842958 600862035 /nfs/dbraw/zinc/86/20/35/600862035.db2.gz SPVSNPPXXCGIQA-DGCLKSJQSA-N 0 1 289.331 3.544 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000828457080 601179453 /nfs/dbraw/zinc/17/94/53/601179453.db2.gz QQBCEMHPPFQYOR-SJKOYZFVSA-N 0 1 299.345 3.717 20 0 CHADMN CC1(C)C[N@H+](Cc2cc(C(=O)[O-])co2)[C@H]1c1ccccc1 ZINC000828075008 601182808 /nfs/dbraw/zinc/18/28/08/601182808.db2.gz YXNXWHIIQLRVKS-HNNXBMFYSA-N 0 1 285.343 3.561 20 0 CHADMN CC1(C)C[N@@H+](Cc2cc(C(=O)[O-])co2)[C@H]1c1ccccc1 ZINC000828075008 601182810 /nfs/dbraw/zinc/18/28/10/601182810.db2.gz YXNXWHIIQLRVKS-HNNXBMFYSA-N 0 1 285.343 3.561 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000652428605 601327936 /nfs/dbraw/zinc/32/79/36/601327936.db2.gz VSWXQMMKEXKJTR-NFAWXSAZSA-N 0 1 299.370 3.917 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)Cc1ccc(C)s1 ZINC000573452765 601415197 /nfs/dbraw/zinc/41/51/97/601415197.db2.gz YAQVBGZXIIVPTP-UHFFFAOYSA-N 0 1 293.388 3.542 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000086774758 601535133 /nfs/dbraw/zinc/53/51/33/601535133.db2.gz CROOVQRJNPOIRK-IGCXYCKISA-N 0 1 283.371 3.553 20 0 CHADMN CC[N@@H+](Cc1cc(C(=O)[O-])sc1C)Cc1ccccc1 ZINC000122738459 601612569 /nfs/dbraw/zinc/61/25/69/601612569.db2.gz YNMCGIHMBJCJOY-UHFFFAOYSA-N 0 1 289.400 3.777 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000383573467 601614493 /nfs/dbraw/zinc/61/44/93/601614493.db2.gz FBRGEERWBABUIX-GFCCVEGCSA-N 0 1 287.334 3.717 20 0 CHADMN C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000235548476 601617381 /nfs/dbraw/zinc/61/73/81/601617381.db2.gz AJXYYVJDRMFIMX-NHYWBVRUSA-N 0 1 279.355 3.534 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)Cc1cccc(C)c1 ZINC000122740758 601620395 /nfs/dbraw/zinc/62/03/95/601620395.db2.gz RYHVGZBONVTHMB-UHFFFAOYSA-N 0 1 289.400 3.695 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000155987878 601643563 /nfs/dbraw/zinc/64/35/63/601643563.db2.gz VNIGSNFOPVRCQH-YPMHNXCESA-N 0 1 279.405 3.519 20 0 CHADMN CC[C@@]1(C)CCC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000568664696 601646545 /nfs/dbraw/zinc/64/65/45/601646545.db2.gz QYRYQEFPMJLELL-INIZCTEOSA-N 0 1 279.355 3.536 20 0 CHADMN Cc1ccccc1CCC[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000659790511 601839399 /nfs/dbraw/zinc/83/93/99/601839399.db2.gz FSAADTWUCIADNZ-UHFFFAOYSA-N 0 1 295.382 3.642 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccccc2)s1 ZINC000570933461 601937805 /nfs/dbraw/zinc/93/78/05/601937805.db2.gz IEHIEVDCPHZCRK-AWEZNQCLSA-N 0 1 287.384 3.783 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2C2CCCC2)s1 ZINC000109602131 601944298 /nfs/dbraw/zinc/94/42/98/601944298.db2.gz SOVSBBJLNBVVGV-ZDUSSCGKSA-N 0 1 279.405 3.601 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](Cc1ccc(C(=O)[O-])s1)C1CC1 ZINC000568060123 601963315 /nfs/dbraw/zinc/96/33/15/601963315.db2.gz RKIVUEMUZKJFSO-JTQLQIEISA-N 0 1 291.372 3.765 20 0 CHADMN CCC[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000566363024 601966971 /nfs/dbraw/zinc/96/69/71/601966971.db2.gz YKHGOLLPZNTLGD-VXGBXAGGSA-N 0 1 265.353 3.551 20 0 CHADMN Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cc2occc2C(=O)[O-])c1 ZINC000567619882 602330485 /nfs/dbraw/zinc/33/04/85/602330485.db2.gz HWQMHZLAIWKMQZ-INIZCTEOSA-N 0 1 299.370 3.932 20 0 CHADMN C/C(=C\C[N@H+]1CCCC[C@H]1c1ccc(F)cc1F)C(=O)[O-] ZINC000825740778 604452765 /nfs/dbraw/zinc/45/27/65/604452765.db2.gz AYMMDZDHEABZTK-USYSOWRXSA-N 0 1 295.329 3.523 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1c(Cl)oc2ccccc21 ZINC000833497143 604644333 /nfs/dbraw/zinc/64/43/33/604644333.db2.gz PWWQJCOOINXAPM-UHFFFAOYSA-N 0 1 295.766 3.771 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833550433 605104233 /nfs/dbraw/zinc/10/42/33/605104233.db2.gz WBCGVCUXSUUKAF-JTQLQIEISA-N 0 1 292.766 3.559 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833550433 605104235 /nfs/dbraw/zinc/10/42/35/605104235.db2.gz WBCGVCUXSUUKAF-JTQLQIEISA-N 0 1 292.766 3.559 20 0 CHADMN C[C@@H](c1cccs1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1F ZINC000062753768 605829023 /nfs/dbraw/zinc/82/90/23/605829023.db2.gz IMLZLOYRHKSQGU-JTQLQIEISA-N 0 1 293.363 3.778 20 0 CHADMN Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809776 949068611 /nfs/dbraw/zinc/06/86/11/949068611.db2.gz UNVYUVQTGOHBQI-HUUCEWRRSA-N 0 1 275.392 3.633 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CCC2CCCCC2)C1 ZINC000125379590 949258183 /nfs/dbraw/zinc/25/81/83/949258183.db2.gz CZSUSLKXHNRCCS-INIZCTEOSA-N 0 1 267.413 3.534 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000250039473 950004860 /nfs/dbraw/zinc/00/48/60/950004860.db2.gz WQICFJFDKCWYOE-NHYWBVRUSA-N 0 1 293.794 3.514 20 0 CHADMN CCCn1nc(C)c(CN2CCc3ccsc3C2)c1C ZINC000127044512 1125458724 /nfs/dbraw/zinc/45/87/24/1125458724.db2.gz VDGCBQWLKRBORY-UHFFFAOYSA-N 0 1 289.448 3.530 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cc(F)c(F)cc1F ZINC001137889980 1131429917 /nfs/dbraw/zinc/42/99/17/1131429917.db2.gz WLOZZYLYOUZKEL-SNVBAGLBSA-N 0 1 257.299 3.868 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccc(-c2ccsc2)cc1)C(=O)[O-] ZINC000570403453 953656694 /nfs/dbraw/zinc/65/66/94/953656694.db2.gz PJTUVXJWLDMGJM-GFCCVEGCSA-N 0 1 289.400 3.568 20 0 CHADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1CCCC1CCCC1 ZINC000570729565 953658589 /nfs/dbraw/zinc/65/85/89/953658589.db2.gz OERHSPYTSLULNV-KRWDZBQOSA-N 0 1 287.403 3.641 20 0 CHADMN C[C@@H]([N@@H+](C)Cc1cccc(C(=O)[O-])c1Cl)C1(C)CC1 ZINC000385166983 971984712 /nfs/dbraw/zinc/98/47/12/971984712.db2.gz AUADBDUANBYEMT-SNVBAGLBSA-N 0 1 281.783 3.659 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2)[C@H]1C(=O)[O-] ZINC000662213434 954383460 /nfs/dbraw/zinc/38/34/60/954383460.db2.gz XKEKQCOJQPJCKJ-XJKSGUPXSA-N 0 1 289.419 3.669 20 0 CHADMN CC(C)(C)C[N@H+](CC(=O)[O-])CC1CCC(C)(C)CC1 ZINC000662223729 954391656 /nfs/dbraw/zinc/39/16/56/954391656.db2.gz LPPXQVSDYCYFJD-UHFFFAOYSA-N 0 1 269.429 3.636 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(C2CCCC2)c1 ZINC000665331169 954543982 /nfs/dbraw/zinc/54/39/82/954543982.db2.gz NSPAKLYOMVUKAD-INIZCTEOSA-N 0 1 275.392 3.639 20 0 CHADMN CC(C)[C@@H]1CCCCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC001603000294 972039441 /nfs/dbraw/zinc/03/94/41/972039441.db2.gz RDRIOIVBSGCFKE-AWEZNQCLSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1cc(CN(C)C[C@@H]2CCCO2)c(OC(F)F)cc1C ZINC000128106340 1125465279 /nfs/dbraw/zinc/46/52/79/1125465279.db2.gz VKMZQLHOEDSNDH-AWEZNQCLSA-N 0 1 299.361 3.516 20 0 CHADMN O=C([O-])c1cccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000883519707 956245534 /nfs/dbraw/zinc/24/55/34/956245534.db2.gz ZLLINDGLPYZUTK-IRXDYDNUSA-N 0 1 299.345 3.500 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000388479682 972172738 /nfs/dbraw/zinc/17/27/38/972172738.db2.gz ARKMJAPXJXSWBG-SFHVURJKSA-N 0 1 295.382 3.894 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1cc(Cl)cc2ccccc21)C(=O)[O-] ZINC000903404972 956831788 /nfs/dbraw/zinc/83/17/88/956831788.db2.gz LNPSARSGLMJCMO-LLVKDONJSA-N 0 1 291.778 3.646 20 0 CHADMN CCSc1ccccc1C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000903409616 956836308 /nfs/dbraw/zinc/83/63/08/956836308.db2.gz WKOPBJFVVWRYNK-CQSZACIVSA-N 0 1 293.432 3.628 20 0 CHADMN CCSc1ccccc1C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000903409615 956837772 /nfs/dbraw/zinc/83/77/72/956837772.db2.gz WKOPBJFVVWRYNK-AWEZNQCLSA-N 0 1 293.432 3.628 20 0 CHADMN CCCCC[C@H]1CCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903697923 956885703 /nfs/dbraw/zinc/88/57/03/956885703.db2.gz OKKDQGDNCRALJT-AWEZNQCLSA-N 0 1 267.413 3.676 20 0 CHADMN CC(C)CC[C@@H]1CCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903697357 956885976 /nfs/dbraw/zinc/88/59/76/956885976.db2.gz KPOCVLYLBCHQLN-AWEZNQCLSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cccc2ccccc21 ZINC000037598751 957314586 /nfs/dbraw/zinc/31/45/86/957314586.db2.gz NEMWVDBYRXHRMY-ZDUSSCGKSA-N 0 1 271.360 3.525 20 0 CHADMN CCC(CC)C[N@@H+](CC)Cc1cc(C(=O)[O-])oc1C ZINC000051361571 957505183 /nfs/dbraw/zinc/50/51/83/957505183.db2.gz WEJCMNGJQNYYOM-UHFFFAOYSA-N 0 1 267.369 3.544 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@H+](C)Cc1occc1C(=O)[O-] ZINC000062015194 957597227 /nfs/dbraw/zinc/59/72/27/957597227.db2.gz SPMXRHBKVVGUDX-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000062015194 957597232 /nfs/dbraw/zinc/59/72/32/957597232.db2.gz SPMXRHBKVVGUDX-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN Cc1cc(C[N@@H+](C)[C@H](C)c2ccccc2F)oc1C(=O)[O-] ZINC000062015352 957597716 /nfs/dbraw/zinc/59/77/16/957597716.db2.gz CZTWGWNWMATEQN-LLVKDONJSA-N 0 1 291.322 3.618 20 0 CHADMN Cc1cc(C[N@H+](C)[C@H](C)c2ccccc2F)oc1C(=O)[O-] ZINC000062015352 957597723 /nfs/dbraw/zinc/59/77/23/957597723.db2.gz CZTWGWNWMATEQN-LLVKDONJSA-N 0 1 291.322 3.618 20 0 CHADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000071264815 957714446 /nfs/dbraw/zinc/71/44/46/957714446.db2.gz MEEHJKILIASKTG-CHWSQXEVSA-N 0 1 291.366 3.536 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000079349633 957755961 /nfs/dbraw/zinc/75/59/61/957755961.db2.gz UVBBWAJNEXIUTK-CVEARBPZSA-N 0 1 289.419 3.961 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000086725219 957975737 /nfs/dbraw/zinc/97/57/37/957975737.db2.gz XWXOSRAKUBBWHH-QGZVFWFLSA-N 0 1 283.371 3.968 20 0 CHADMN Cc1ccc([C@H](C)[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000086724968 957976724 /nfs/dbraw/zinc/97/67/24/957976724.db2.gz HTECFFLSZDWVPE-AWEZNQCLSA-N 0 1 283.371 3.886 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086782695 957986537 /nfs/dbraw/zinc/98/65/37/957986537.db2.gz LOUAMMPKRSGNMP-GDBMZVCRSA-N 0 1 295.810 3.978 20 0 CHADMN CCCC[C@@H](CC)C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612565 958023071 /nfs/dbraw/zinc/02/30/71/958023071.db2.gz MVVSWAUWOCFQBB-RHSMWYFYSA-N 0 1 289.419 3.887 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000092943070 958218153 /nfs/dbraw/zinc/21/81/53/958218153.db2.gz ITJHLGLZCJKFKB-LEWSCRJBSA-N 0 1 281.783 3.586 20 0 CHADMN CC(C)C[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1CCCC1 ZINC000094849630 958313915 /nfs/dbraw/zinc/31/39/15/958313915.db2.gz OSHVMNUAODFYQL-UHFFFAOYSA-N 0 1 275.392 3.785 20 0 CHADMN CCC(CC)C[N@@H+](CC)Cc1ccsc1C(=O)[O-] ZINC000110955909 958403307 /nfs/dbraw/zinc/40/33/07/958403307.db2.gz YMCUQGZYAJQUHL-UHFFFAOYSA-N 0 1 269.410 3.704 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])CC1CCC(C(C)(C)C)CC1 ZINC000130290459 958729049 /nfs/dbraw/zinc/72/90/49/958729049.db2.gz PDEVQAVWNDYNOA-UHFFFAOYSA-N 0 1 269.429 3.636 20 0 CHADMN CCn1nccc1CN1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000128764039 1125469435 /nfs/dbraw/zinc/46/94/35/1125469435.db2.gz VMMFHIDWRBQJOT-CXAGYDPISA-N 0 1 287.382 3.625 20 0 CHADMN Fc1ccc(CN2CCC[C@H]3CCC[C@@H]32)c(F)c1F ZINC001137940350 1131438807 /nfs/dbraw/zinc/43/88/07/1131438807.db2.gz TWHKCDMVHLLXSH-MFKMUULPSA-N 0 1 269.310 3.868 20 0 CHADMN CCn1nccc1CN1CCCCC[C@@H]1c1ccc(C)o1 ZINC000129040281 1125471681 /nfs/dbraw/zinc/47/16/81/1125471681.db2.gz FPQCJFBSLKNCGO-MRXNPFEDSA-N 0 1 287.407 3.922 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000221531842 959809294 /nfs/dbraw/zinc/80/92/94/959809294.db2.gz HZCYKVMRKUPKRG-IIYDPXPESA-N 0 1 283.371 3.696 20 0 CHADMN C[C@@H](c1cccc2ccccc21)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226398589 959877906 /nfs/dbraw/zinc/87/79/06/959877906.db2.gz LPOKXFAUXPAJSM-DZGCQCFKSA-N 0 1 283.371 3.697 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001140506306 960501774 /nfs/dbraw/zinc/50/17/74/960501774.db2.gz CRWDUVYQMLOPRM-CQSZACIVSA-N 0 1 299.345 3.513 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccc2ccccc2c1 ZINC001140949218 960507959 /nfs/dbraw/zinc/50/79/59/960507959.db2.gz SOLGLGBERCQHJK-UHFFFAOYSA-N 0 1 295.338 3.763 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001573768264 960639053 /nfs/dbraw/zinc/63/90/53/960639053.db2.gz LAGBBRYYHFULAI-KRWDZBQOSA-N 0 1 287.403 3.736 20 0 CHADMN CC(C)c1cc(CN[C@H]2CS[C@H](C(C)(C)C)C2)on1 ZINC000683108299 1117769570 /nfs/dbraw/zinc/76/95/70/1117769570.db2.gz BKFUFJPMAJEURE-RISCZKNCSA-N 0 1 282.453 3.808 20 0 CHADMN C[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)CC1(C)C ZINC001326509648 961101977 /nfs/dbraw/zinc/10/19/77/961101977.db2.gz HDTRHLUKZKATRI-FZMZJTMJSA-N 0 1 295.810 3.834 20 0 CHADMN CC(C)C[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001326546865 961107334 /nfs/dbraw/zinc/10/73/34/961107334.db2.gz HOURWFOKJCRCFZ-IUODEOHRSA-N 0 1 295.810 3.834 20 0 CHADMN CC(C)(C)SCCC[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC001588738907 961142120 /nfs/dbraw/zinc/14/21/20/961142120.db2.gz QVMCSRGKZSJPRG-CYBMUJFWSA-N 0 1 287.469 3.628 20 0 CHADMN CCC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001329694790 961301359 /nfs/dbraw/zinc/30/13/59/961301359.db2.gz GWNMTCUMIXRSEH-IUODEOHRSA-N 0 1 295.810 3.978 20 0 CHADMN CC[C@H]1CCC[C@@H](C[N@@H+](C)Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC001331923607 961409350 /nfs/dbraw/zinc/40/93/50/961409350.db2.gz BGWVLKJCLWGTIU-UONOGXRCSA-N 0 1 293.407 3.934 20 0 CHADMN CCC(F)(F)CN[C@H]1CC[C@H](c2ccccc2)C1 ZINC000623679122 1117888391 /nfs/dbraw/zinc/88/83/91/1117888391.db2.gz JHNWLIMNJIFHKL-KBPBESRZSA-N 0 1 253.336 3.958 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@H]1CCCc2scnc21 ZINC000623960788 1117962254 /nfs/dbraw/zinc/96/22/54/1117962254.db2.gz HMOAJRVARZKWNO-IUCAKERBSA-N 0 1 278.343 3.841 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC001348243342 962437215 /nfs/dbraw/zinc/43/72/15/962437215.db2.gz DHGXKWGKFGZUGA-AWEZNQCLSA-N 0 1 295.810 3.978 20 0 CHADMN C[C@H]1CO[C@H](c2ccccc2)CN1Cc1cccs1 ZINC000130630125 1125483572 /nfs/dbraw/zinc/48/35/72/1125483572.db2.gz HGOPTLSVJMFIPC-BBRMVZONSA-N 0 1 273.401 3.710 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cs1 ZINC001353935987 962684878 /nfs/dbraw/zinc/68/48/78/962684878.db2.gz RCSOZHJSTUFNIE-SOUVJXGZSA-N 0 1 293.432 3.522 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)cc1F ZINC000300187917 962989744 /nfs/dbraw/zinc/98/97/44/962989744.db2.gz MVTHTPNWQMJCKE-KBPBESRZSA-N 0 1 291.366 3.536 20 0 CHADMN C[C@H]1C[C@H]1C[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC001209420536 1118044260 /nfs/dbraw/zinc/04/42/60/1118044260.db2.gz JOFXTOMFKZJQIH-JQWIXIFHSA-N 0 1 269.310 3.720 20 0 CHADMN C[C@H]1C[C@H]1CN1CCc2ccc(C(F)(F)F)cc2C1 ZINC001209420536 1118044263 /nfs/dbraw/zinc/04/42/63/1118044263.db2.gz JOFXTOMFKZJQIH-JQWIXIFHSA-N 0 1 269.310 3.720 20 0 CHADMN COCc1ccc(CN(C)Cc2ccsc2)cc1 ZINC000120465212 1118051321 /nfs/dbraw/zinc/05/13/21/1118051321.db2.gz FTVTXABWCPIPIA-UHFFFAOYSA-N 0 1 261.390 3.527 20 0 CHADMN Cc1cnc(CN[C@@H](C)[C@@H](C)C2CCCCC2)o1 ZINC000185527934 1118062643 /nfs/dbraw/zinc/06/26/43/1118062643.db2.gz FNWHMQUMDLFMIB-OLZOCXBDSA-N 0 1 250.386 3.678 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000122802543 967617352 /nfs/dbraw/zinc/61/73/52/967617352.db2.gz KLZIAIOKIAOWSB-OAHLLOKOSA-N 0 1 299.773 3.556 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1Cl ZINC000124456219 967619292 /nfs/dbraw/zinc/61/92/92/967619292.db2.gz ULRGOMAEAJGONO-CYBMUJFWSA-N 0 1 299.773 3.698 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000124463255 967620387 /nfs/dbraw/zinc/62/03/87/967620387.db2.gz CRXUCWPWHKGWDF-OAHLLOKOSA-N 0 1 299.773 3.556 20 0 CHADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc2ccccc2c1 ZINC000263467996 967895618 /nfs/dbraw/zinc/89/56/18/967895618.db2.gz DBBDQSNOMBNAAB-GUYCJALGSA-N 0 1 283.371 3.525 20 0 CHADMN CC(C)C[N@@H+](CCCC(=O)[O-])Cc1cccc(Cl)c1 ZINC000621388213 968511744 /nfs/dbraw/zinc/51/17/44/968511744.db2.gz RRMGSYSFPOHXBZ-UHFFFAOYSA-N 0 1 283.799 3.663 20 0 CHADMN C[C@H]1CCCN1Cc1c(F)cccc1C(F)(F)F ZINC001204455906 1118085839 /nfs/dbraw/zinc/08/58/39/1118085839.db2.gz DUBDLRULPDBQGO-VIFPVBQESA-N 0 1 261.262 3.829 20 0 CHADMN Clc1cc(CN2CC[C@H](C3CC3)C2)cc(Cl)n1 ZINC000764485039 1118096527 /nfs/dbraw/zinc/09/65/27/1118096527.db2.gz LRAUTXLKIPEUAP-NSHDSACASA-N 0 1 271.191 3.620 20 0 CHADMN CC[C@H]1CCC[C@H](C[N@@H+](CC(=O)[O-])C2CCCC2)C1 ZINC000394610455 972723591 /nfs/dbraw/zinc/72/35/91/972723591.db2.gz IWYXZBFMKIYKLV-KBPBESRZSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccc(C(=O)[O-])s1)C(C)(C)C ZINC000399415768 973218923 /nfs/dbraw/zinc/21/89/23/973218923.db2.gz XOVDVERMJRVDMS-SNVBAGLBSA-N 0 1 269.410 3.560 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000404780073 973749459 /nfs/dbraw/zinc/74/94/59/973749459.db2.gz VNRFCWAMFKQAFU-QWHCGFSZSA-N 0 1 299.370 3.701 20 0 CHADMN Cc1cc(C[NH2+][C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cs1 ZINC000417558623 973960773 /nfs/dbraw/zinc/96/07/73/973960773.db2.gz FXMCUXFAPRVFSZ-OAHLLOKOSA-N 0 1 289.400 3.589 20 0 CHADMN CC[N@@H+](Cc1ccc(C(C)(C)CC)cc1)[C@H](C)C(=O)[O-] ZINC001603747622 974191877 /nfs/dbraw/zinc/19/18/77/974191877.db2.gz ZOXARZZTGIUFJZ-CYBMUJFWSA-N 0 1 277.408 3.669 20 0 CHADMN Cc1ccc(C[N@@H+](C)[C@H](C(=O)[O-])c2ccsc2)cc1C ZINC000515073087 974296395 /nfs/dbraw/zinc/29/63/95/974296395.db2.gz FHIDMTSAWYUVME-HNNXBMFYSA-N 0 1 289.400 3.623 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@H](C(=O)[O-])c2ccsc2)cc1C ZINC000515073087 974296402 /nfs/dbraw/zinc/29/64/02/974296402.db2.gz FHIDMTSAWYUVME-HNNXBMFYSA-N 0 1 289.400 3.623 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1[C@H](C(=O)[O-])c1ccccc1 ZINC000516479650 974306757 /nfs/dbraw/zinc/30/67/57/974306757.db2.gz RJOGRDOGOPDHMK-JLSDUUJJSA-N 0 1 295.382 3.690 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1cc(Cl)ccc1F ZINC000530179634 974364590 /nfs/dbraw/zinc/36/45/90/974364590.db2.gz NJPTUOURKMBBBR-JGPRNRPPSA-N 0 1 299.773 3.553 20 0 CHADMN CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000565101642 974567972 /nfs/dbraw/zinc/56/79/72/974567972.db2.gz ROWCFLYIZXNTLS-GFCCVEGCSA-N 0 1 291.372 3.549 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000565101212 974568121 /nfs/dbraw/zinc/56/81/21/974568121.db2.gz BLRPGQKOEJXJTQ-OAHLLOKOSA-N 0 1 291.391 3.831 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000565827594 974588841 /nfs/dbraw/zinc/58/88/41/974588841.db2.gz IHNLOUBNPXYJSN-AWEZNQCLSA-N 0 1 289.419 3.887 20 0 CHADMN CCC[C@]1(C)CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000566359986 974608484 /nfs/dbraw/zinc/60/84/84/974608484.db2.gz NKNLGEYVCXMNSV-NVXWUHKLSA-N 0 1 293.382 3.854 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000568064951 974658246 /nfs/dbraw/zinc/65/82/46/974658246.db2.gz VXDVVQOLBNQIAD-LBPRGKRZSA-N 0 1 297.354 3.586 20 0 CHADMN CC[N@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccccc1Cl ZINC000568641306 974675717 /nfs/dbraw/zinc/67/57/17/974675717.db2.gz IQFRPRYLYFKIDW-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccccc1Cl ZINC000568641306 974675720 /nfs/dbraw/zinc/67/57/20/974675720.db2.gz IQFRPRYLYFKIDW-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000570169225 974705649 /nfs/dbraw/zinc/70/56/49/974705649.db2.gz PVQOQFZAHLQGKQ-GFCCVEGCSA-N 0 1 281.783 3.803 20 0 CHADMN O=C([O-])[C@@H](c1ccsc1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000571811965 974737223 /nfs/dbraw/zinc/73/72/23/974737223.db2.gz VJTALIAXVNIWCY-CHWSQXEVSA-N 0 1 293.413 3.772 20 0 CHADMN O=C([O-])[C@@H](c1ccsc1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000571811965 974737227 /nfs/dbraw/zinc/73/72/27/974737227.db2.gz VJTALIAXVNIWCY-CHWSQXEVSA-N 0 1 293.413 3.772 20 0 CHADMN Cc1ccc(C)c(C[N@@H+](C)Cc2ccsc2C(=O)[O-])c1 ZINC000572168629 974742879 /nfs/dbraw/zinc/74/28/79/974742879.db2.gz FNQLQSBWIPZIQW-UHFFFAOYSA-N 0 1 289.400 3.695 20 0 CHADMN Cc1oc(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)cc1C(=O)[O-] ZINC000573259355 974762901 /nfs/dbraw/zinc/76/29/01/974762901.db2.gz TXTRNDHVSPNWNA-HZUKXOBISA-N 0 1 291.391 3.687 20 0 CHADMN O=C([O-])c1ccccc1C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000573616633 974767827 /nfs/dbraw/zinc/76/78/27/974767827.db2.gz LCTWJCUADZIBLH-UHFFFAOYSA-N 0 1 299.370 3.923 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000578660787 974860453 /nfs/dbraw/zinc/86/04/53/974860453.db2.gz VCPWLGXLKFKMIW-CZUORRHYSA-N 0 1 293.382 3.710 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](CCCc1ccccc1Cl)C1CCC1 ZINC000579973884 974886372 /nfs/dbraw/zinc/88/63/72/974886372.db2.gz OZUFLIYWSPSPQE-LBPRGKRZSA-N 0 1 295.810 3.600 20 0 CHADMN C[C@]1(C(=O)[O-])CCC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000582365330 974924860 /nfs/dbraw/zinc/92/48/60/974924860.db2.gz QSEUTNIUZMODQW-ZBFHGGJFSA-N 0 1 293.794 3.514 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000629364756 975084564 /nfs/dbraw/zinc/08/45/64/975084564.db2.gz SFMYPGNDCHJSQF-AWEZNQCLSA-N 0 1 289.419 3.959 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000634697570 975275430 /nfs/dbraw/zinc/27/54/30/975275430.db2.gz MLPRPUPTOBKJHK-CABCVRRESA-N 0 1 267.413 3.532 20 0 CHADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000634697713 975275444 /nfs/dbraw/zinc/27/54/44/975275444.db2.gz PPTLCTJNIYBZPN-HIFRSBDPSA-N 0 1 277.408 3.735 20 0 CHADMN CCC[C@]1(C)CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000652419419 975529137 /nfs/dbraw/zinc/52/91/37/975529137.db2.gz UQFBZBQFVGGUCF-NVXWUHKLSA-N 0 1 293.382 3.854 20 0 CHADMN CC(C)CC[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000652437010 975532918 /nfs/dbraw/zinc/53/29/18/975532918.db2.gz TUNBLNGFVOJDAC-LBPRGKRZSA-N 0 1 281.421 3.847 20 0 CHADMN O=C([O-])C[N@@H+](CCC1=CCCCC1)C1CCCCC1 ZINC000652481387 975548800 /nfs/dbraw/zinc/54/88/00/975548800.db2.gz MMKMLSJQUDQGJZ-UHFFFAOYSA-N 0 1 265.397 3.596 20 0 CHADMN CCCC[C@@H](CC)C[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000652482697 975551335 /nfs/dbraw/zinc/55/13/35/975551335.db2.gz QPBSQPBDXHZEEJ-CQSZACIVSA-N 0 1 269.429 3.922 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2)[C@H](C(=O)[O-])C1 ZINC000652502816 975566828 /nfs/dbraw/zinc/56/68/28/975566828.db2.gz AUCJPRBLAJHANP-DYVFJYSZSA-N 0 1 283.371 3.525 20 0 CHADMN O=C([O-])[C@@H](c1ccccc1)[N@H+]1CCCC2(CCCC2)CC1 ZINC000656758688 975686328 /nfs/dbraw/zinc/68/63/28/975686328.db2.gz LEMMPUAGGZMNFT-MRXNPFEDSA-N 0 1 287.403 3.859 20 0 CHADMN O=C([O-])[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H](CCF)C1 ZINC000656762192 975688366 /nfs/dbraw/zinc/68/83/66/975688366.db2.gz AMAQVPURKGEUSH-BXUZGUMPSA-N 0 1 299.773 3.537 20 0 CHADMN CCC(C)(C)CC[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000659790236 975877183 /nfs/dbraw/zinc/87/71/83/975877183.db2.gz OGIHYLBLLGASOB-UHFFFAOYSA-N 0 1 277.408 3.790 20 0 CHADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@@H+](CCC1CC1)CC1CC1 ZINC000659803250 975893364 /nfs/dbraw/zinc/89/33/64/975893364.db2.gz GRHHSOUMRIUKOD-KRWDZBQOSA-N 0 1 287.403 3.633 20 0 CHADMN CCCCC[C@@H]1CCCC[N@H+]1Cc1occc1C(=O)[O-] ZINC000659804035 975894747 /nfs/dbraw/zinc/89/47/47/975894747.db2.gz SRQSOFITZYASBW-CYBMUJFWSA-N 0 1 279.380 3.913 20 0 CHADMN CCCCC[C@H]1CCCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000659804411 975895156 /nfs/dbraw/zinc/89/51/56/975895156.db2.gz YXJCTCZNPURLAF-AWEZNQCLSA-N 0 1 267.413 3.676 20 0 CHADMN CC(C)c1[nH]c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1C(=O)[O-] ZINC001591912401 976344818 /nfs/dbraw/zinc/34/48/18/976344818.db2.gz MCXWPASQAMNBCI-DOMZBBRYSA-N 0 1 290.407 3.601 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701563640 977023762 /nfs/dbraw/zinc/02/37/62/977023762.db2.gz PLTBRWGYFQHVTM-RBOXIYTFSA-N 0 1 293.794 3.588 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@@H](C2CCCCC2)C1)C(=O)[O-] ZINC000708294006 977421190 /nfs/dbraw/zinc/42/11/90/977421190.db2.gz GREGMUMCNWQLSG-OAHLLOKOSA-N 0 1 281.440 3.780 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cc(C)on1 ZINC000340526259 1118317253 /nfs/dbraw/zinc/31/72/53/1118317253.db2.gz PXNABBAISIKXCA-SGMGOOAPSA-N 0 1 268.426 3.698 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+](CC)Cc1ccccc1 ZINC000830362495 979016545 /nfs/dbraw/zinc/01/65/45/979016545.db2.gz ALYBRCNJUVNUQB-UHFFFAOYSA-N 0 1 287.359 3.562 20 0 CHADMN C/C(=C\C[N@@H+](CCc1ccccc1)C1CCCC1)C(=O)[O-] ZINC000846245035 979422386 /nfs/dbraw/zinc/42/23/86/979422386.db2.gz XFRLDMVLNLVDGZ-RVDMUPIBSA-N 0 1 287.403 3.505 20 0 CHADMN O=C([O-])Cc1ccccc1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000846246236 979422725 /nfs/dbraw/zinc/42/27/25/979422725.db2.gz KMSWRKXBVCUYAQ-IBGZPJMESA-N 0 1 299.414 3.636 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1CC(=O)[O-] ZINC000846253779 979426734 /nfs/dbraw/zinc/42/67/34/979426734.db2.gz MIYAHWGXHOEWHX-KRWDZBQOSA-N 0 1 289.419 3.714 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1ccccc1CC(=O)[O-] ZINC000846255991 979428208 /nfs/dbraw/zinc/42/82/08/979428208.db2.gz WXNAPOJJVITZDJ-RHSMWYFYSA-N 0 1 289.419 3.714 20 0 CHADMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cccc(C3CCCC3)c2)C1 ZINC000854238619 979606898 /nfs/dbraw/zinc/60/68/98/979606898.db2.gz FPCHJUQDHJJDPP-GOSISDBHSA-N 0 1 287.403 3.641 20 0 CHADMN C[C@@H](Cc1ccsc1)[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC001592905913 979838476 /nfs/dbraw/zinc/83/84/76/979838476.db2.gz HYZLKZSOLBFTIM-JTQLQIEISA-N 0 1 295.429 3.571 20 0 CHADMN C[C@@H](Cc1ccsc1)[N@@H+](C)Cc1cc(C(=O)[O-])cs1 ZINC001592906791 979849848 /nfs/dbraw/zinc/84/98/48/979849848.db2.gz OLVBBIVVJPHTES-JTQLQIEISA-N 0 1 295.429 3.571 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@H+](CC(=O)[O-])C(C)C)c1 ZINC000872159799 980045681 /nfs/dbraw/zinc/04/56/81/980045681.db2.gz OXFLFFULFDGLIM-UHFFFAOYSA-N 0 1 285.387 3.752 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)[C@H]1C ZINC000901438811 980287533 /nfs/dbraw/zinc/28/75/33/980287533.db2.gz ZOPFTYVCWCAOAQ-STQMWFEESA-N 0 1 299.370 3.875 20 0 CHADMN CC(C)C(C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1)C(C)C ZINC000901647945 980425785 /nfs/dbraw/zinc/42/57/85/980425785.db2.gz MYBHHZADNWADBZ-UHFFFAOYSA-N 0 1 275.392 3.629 20 0 CHADMN O=C([O-])C[N@@H+](CC1CCC2(CCCCC2)CC1)C1CC1 ZINC000901971726 980656437 /nfs/dbraw/zinc/65/64/37/980656437.db2.gz ZZRKHWUARGMQIZ-UHFFFAOYSA-N 0 1 279.424 3.676 20 0 CHADMN CC(C)c1ccc(C[N@@H+](C)CCC(C)(C)C(=O)[O-])cc1 ZINC000902127793 980747321 /nfs/dbraw/zinc/74/73/21/980747321.db2.gz UTFILLDSDBJTSS-UHFFFAOYSA-N 0 1 277.408 3.743 20 0 CHADMN CCc1oc(C[N@H+]2CCC[C@](C)(CC)C2)cc1C(=O)[O-] ZINC000902271771 980810997 /nfs/dbraw/zinc/81/09/97/980810997.db2.gz LWCXBIDQBRLIIN-INIZCTEOSA-N 0 1 279.380 3.552 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000902282352 980816273 /nfs/dbraw/zinc/81/62/73/980816273.db2.gz QMHHFKRDAZQPCJ-IWAYRVGRSA-N 0 1 291.391 3.780 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000902282353 980816342 /nfs/dbraw/zinc/81/63/42/980816342.db2.gz QMHHFKRDAZQPCJ-OZSKJFCKSA-N 0 1 291.391 3.780 20 0 CHADMN C[N@@H+](Cc1ccc(/C=C\C(=O)[O-])o1)C1CCCCCC1 ZINC000902507695 980914067 /nfs/dbraw/zinc/91/40/67/980914067.db2.gz GRFSKXOORIEOGR-KHPPLWFESA-N 0 1 277.364 3.532 20 0 CHADMN CCC1CCC([N@@H+](C)Cc2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC000902509702 980914633 /nfs/dbraw/zinc/91/46/33/980914633.db2.gz IRADODDBMJRNRH-ZHACJKMWSA-N 0 1 291.391 3.778 20 0 CHADMN C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902511558 980915668 /nfs/dbraw/zinc/91/56/68/980915668.db2.gz JPDBNQLMBVIFJR-WSKFYRRCSA-N 0 1 291.372 3.632 20 0 CHADMN CC[C@H]1c2ccsc2CC[N@@H+]1CCC(C)(C)C(=O)[O-] ZINC000902512335 980915714 /nfs/dbraw/zinc/91/57/14/980915714.db2.gz KLVXZIKQQQYBEF-LBPRGKRZSA-N 0 1 281.421 3.558 20 0 CHADMN C[N@@H+](Cc1ccc(-c2ccccc2C(=O)[O-])o1)C(C)(C)C ZINC000902534753 980926270 /nfs/dbraw/zinc/92/62/70/980926270.db2.gz SQPJWNOTWBGDMW-UHFFFAOYSA-N 0 1 287.359 3.875 20 0 CHADMN CCSc1ccccc1C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000903609196 980990517 /nfs/dbraw/zinc/99/05/17/980990517.db2.gz VQQBMVIKNCTTCE-UHFFFAOYSA-N 0 1 293.432 3.628 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])C[C@@H]1C[C@H]1CC ZINC000903608977 980990678 /nfs/dbraw/zinc/99/06/78/980990678.db2.gz QKNUDMFUKARRFU-VNQPRFMTSA-N 0 1 275.392 3.570 20 0 CHADMN CC(C)[N@H+](CCC(=O)[O-])CCC1C2CC3CC(C2)CC1C3 ZINC000903901881 981029108 /nfs/dbraw/zinc/02/91/08/981029108.db2.gz RXULRYQZVVFKKT-UHFFFAOYSA-N 0 1 293.451 3.634 20 0 CHADMN CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC001595444190 981086347 /nfs/dbraw/zinc/08/63/47/981086347.db2.gz KGEMLSHJCPYIQB-WCQYABFASA-N 0 1 281.421 3.847 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001595453367 981117975 /nfs/dbraw/zinc/11/79/75/981117975.db2.gz OUAGLKUVFCIIDU-INIZCTEOSA-N 0 1 287.403 3.567 20 0 CHADMN CC[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)[C@@H]1C ZINC001595463705 981146907 /nfs/dbraw/zinc/14/69/07/981146907.db2.gz DNDJMQMTFCTYIC-MNOVXSKESA-N 0 1 281.783 3.659 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1ccncc1Br ZINC000625561005 1118616563 /nfs/dbraw/zinc/61/65/63/1118616563.db2.gz RATWNNITXWYPLB-VGPLMAKISA-N 0 1 295.224 3.607 20 0 CHADMN CCCC1CCC([N@@H+](C)Cc2nc(C(=O)[O-])cs2)CC1 ZINC001595620655 981691739 /nfs/dbraw/zinc/69/17/39/981691739.db2.gz OREYVXWENOJRJM-UHFFFAOYSA-N 0 1 296.436 3.632 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC001595628738 981790090 /nfs/dbraw/zinc/79/00/90/981790090.db2.gz KPVHARNSKVIALN-ZIAGYGMSSA-N 0 1 281.783 3.730 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC001595628738 981790095 /nfs/dbraw/zinc/79/00/95/981790095.db2.gz KPVHARNSKVIALN-ZIAGYGMSSA-N 0 1 281.783 3.730 20 0 CHADMN CC[C@H](NC[C@H](C)Cc1ccc(OC)c(F)c1)C(F)F ZINC000449363255 1118796029 /nfs/dbraw/zinc/79/60/29/1118796029.db2.gz OXYMZGGCFARNAD-MFKMUULPSA-N 0 1 289.341 3.646 20 0 CHADMN CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001594930945 982557568 /nfs/dbraw/zinc/55/75/68/982557568.db2.gz DEQCMPOZWWNRDB-AULVFQMTSA-N 0 1 291.391 3.778 20 0 CHADMN CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC001594931935 982573333 /nfs/dbraw/zinc/57/33/33/982573333.db2.gz ZRMPACORTNPBTL-DGCLKSJQSA-N 0 1 281.421 3.847 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cccc(C(C)(C)C)c1 ZINC001594979358 982767226 /nfs/dbraw/zinc/76/72/26/982767226.db2.gz MISHRJISGMXIFF-CYBMUJFWSA-N 0 1 277.408 3.669 20 0 CHADMN CCc1nc([C@@H](C)Sc2ccc(C)c(C)c2)n[nH]1 ZINC000657231387 1118927173 /nfs/dbraw/zinc/92/71/73/1118927173.db2.gz BXGQGGBCOIUBGL-LLVKDONJSA-N 0 1 261.394 3.837 20 0 CHADMN CCC[N@@H+](Cc1ccnc2c(C(=O)[O-])cccc12)C(C)C ZINC001595891417 982924938 /nfs/dbraw/zinc/92/49/38/982924938.db2.gz RHUNUOUWPBXZKH-UHFFFAOYSA-N 0 1 286.375 3.553 20 0 CHADMN C[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)CC1 ZINC001118315420 982951844 /nfs/dbraw/zinc/95/18/44/982951844.db2.gz ACNFPILDZIRMMA-SMDDNHRTSA-N 0 1 281.783 3.588 20 0 CHADMN Fc1ccc(CN2C[C@H]3CCC[C@@H]3C2)cc1Br ZINC000148112755 1125486474 /nfs/dbraw/zinc/48/64/74/1125486474.db2.gz ZVZFBXOPPWKJFC-VXGBXAGGSA-N 0 1 298.199 3.820 20 0 CHADMN Cc1nnc([C@@H](C)NCC2(c3ccccc3)CCCC2)o1 ZINC000112519189 1125486885 /nfs/dbraw/zinc/48/68/85/1125486885.db2.gz BOJROGJVQULESK-CYBMUJFWSA-N 0 1 285.391 3.541 20 0 CHADMN Cc1ccccc1[C@H](CC(C)C)NCc1cc[nH]n1 ZINC000112379166 1125486927 /nfs/dbraw/zinc/48/69/27/1125486927.db2.gz QLGQCYJPHFTYIR-INIZCTEOSA-N 0 1 257.381 3.595 20 0 CHADMN C[C@H](c1ccco1)N(C)Cc1c[nH]nc1-c1cccs1 ZINC000131061814 1125487951 /nfs/dbraw/zinc/48/79/51/1125487951.db2.gz RLUOZIVFQFXNPE-LLVKDONJSA-N 0 1 287.388 3.924 20 0 CHADMN CC(C)Oc1ccc(CN[C@H](C)c2ccccc2F)cn1 ZINC000112529480 1125488505 /nfs/dbraw/zinc/48/85/05/1125488505.db2.gz CJJYRHBBORCMDN-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN CCc1nc(S[C@H]2CCc3c2cccc3Cl)n[nH]1 ZINC000119057996 1119203309 /nfs/dbraw/zinc/20/33/09/1119203309.db2.gz AXCOUBNRXVYTPG-NSHDSACASA-N 0 1 279.796 3.800 20 0 CHADMN CCc1n[nH]c(S[C@H]2CCc3c2cccc3Cl)n1 ZINC000119057996 1119203311 /nfs/dbraw/zinc/20/33/11/1119203311.db2.gz AXCOUBNRXVYTPG-NSHDSACASA-N 0 1 279.796 3.800 20 0 CHADMN C[C@H](C1CC1)[N@@H+](C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000131183793 1125489847 /nfs/dbraw/zinc/48/98/47/1125489847.db2.gz XBUXJHFNNXPNBY-SNVBAGLBSA-N 0 1 292.329 3.850 20 0 CHADMN CCn1ccnc1NCc1cccc(C(F)(F)F)c1 ZINC000050608261 1119256994 /nfs/dbraw/zinc/25/69/94/1119256994.db2.gz LDWQEQNVMOQJTF-UHFFFAOYSA-N 0 1 269.270 3.534 20 0 CHADMN CC[C@@H](NCc1cccs1)c1ccc(F)cn1 ZINC000131240319 1125490861 /nfs/dbraw/zinc/49/08/61/1125490861.db2.gz OLDUEAALUBAHSJ-GFCCVEGCSA-N 0 1 250.342 3.523 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cccc(O)c1)CCCO2 ZINC000154424001 1119310457 /nfs/dbraw/zinc/31/04/57/1119310457.db2.gz LQNNIKGZAUMFDU-KRWDZBQOSA-N 0 1 283.371 3.704 20 0 CHADMN CCN(C/C=C/c1ccccc1OC)CCC(F)(F)F ZINC000092753785 1119347940 /nfs/dbraw/zinc/34/79/40/1119347940.db2.gz MDZVGUUWWKRBLV-SOFGYWHQSA-N 0 1 287.325 3.983 20 0 CHADMN CC[C@@H](C)NCc1csc(COc2ccccc2)n1 ZINC000113312344 1125494046 /nfs/dbraw/zinc/49/40/46/1125494046.db2.gz QOIFCGUIJFTIIX-GFCCVEGCSA-N 0 1 276.405 3.610 20 0 CHADMN Cc1[nH]c(C[N@@H+]2CC(C)(C)[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001599961097 985783788 /nfs/dbraw/zinc/78/37/88/985783788.db2.gz DHDAWDUNSGJXBI-INIZCTEOSA-N 0 1 298.386 3.604 20 0 CHADMN Cc1[nH]c(C[N@H+]2CC(C)(C)[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001599961097 985783792 /nfs/dbraw/zinc/78/37/92/985783792.db2.gz DHDAWDUNSGJXBI-INIZCTEOSA-N 0 1 298.386 3.604 20 0 CHADMN Cc1ccoc1CN[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000282891508 1125494489 /nfs/dbraw/zinc/49/44/89/1125494489.db2.gz STKCDSQOYVWUIS-OAHLLOKOSA-N 0 1 292.810 3.634 20 0 CHADMN Cc1ccc2nc(-c3cnc(Cl)c(F)c3)[nH]c2c1 ZINC000169240883 1125496780 /nfs/dbraw/zinc/49/67/80/1125496780.db2.gz PNEXPVDQOYDFGJ-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN CCS[C@H]1CC[C@H](N(C)Cc2nc3ccccc3[nH]2)C1 ZINC000131928115 1125496820 /nfs/dbraw/zinc/49/68/20/1125496820.db2.gz DQJUZPBNHUNILE-STQMWFEESA-N 0 1 289.448 3.669 20 0 CHADMN CCN(CCC1CC1)Cc1cc(C(C)(C)C)on1 ZINC000685572977 1119633164 /nfs/dbraw/zinc/63/31/64/1119633164.db2.gz QAWJMLXOEMFBHA-UHFFFAOYSA-N 0 1 250.386 3.594 20 0 CHADMN CCC[C@H](NC/C=C/CO)c1ccc(Cl)cc1Cl ZINC000658140434 1119692002 /nfs/dbraw/zinc/69/20/02/1119692002.db2.gz RTXVANHTJGPOTH-XGACYXMMSA-N 0 1 288.218 3.973 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001589732133 987954837 /nfs/dbraw/zinc/95/48/37/987954837.db2.gz GHOLRBQWYNPFQJ-RBSFLKMASA-N 0 1 281.440 3.636 20 0 CHADMN CC(C)(C)[N@@H+](Cc1ccsc1)CC1(CC(=O)[O-])CC1 ZINC001589796589 988196384 /nfs/dbraw/zinc/19/63/84/988196384.db2.gz UNLQHYHLUOAFCD-UHFFFAOYSA-N 0 1 281.421 3.604 20 0 CHADMN Cc1ccccc1CN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000613267360 1119894528 /nfs/dbraw/zinc/89/45/28/1119894528.db2.gz MGGFSGKOJNZKHA-CQSZACIVSA-N 0 1 287.325 3.538 20 0 CHADMN c1cc(-c2ccccc2)oc1CN[C@@H]1CCCc2n[nH]cc21 ZINC000353453899 1125505034 /nfs/dbraw/zinc/50/50/34/1125505034.db2.gz GUYYZUCIWSQVBN-MRXNPFEDSA-N 0 1 293.370 3.837 20 0 CHADMN CCc1oc(C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC001597795860 989348354 /nfs/dbraw/zinc/34/83/54/989348354.db2.gz GAVRNBFGHKJLTF-PXAZEXFGSA-N 0 1 299.370 3.733 20 0 CHADMN CCc1oc(C[N@H+]2C[C@@H](C(C)C)[C@H]2C(C)C)cc1C(=O)[O-] ZINC001597796380 989354542 /nfs/dbraw/zinc/35/45/42/989354542.db2.gz NIRCNLKUBNYFCZ-GOEBONIOSA-N 0 1 293.407 3.653 20 0 CHADMN CN(Cc1ccc(CO)o1)Cc1ccc(C(C)(C)C)cc1 ZINC000536623887 1125506972 /nfs/dbraw/zinc/50/69/72/1125506972.db2.gz YIVFVVQEGYVOEP-UHFFFAOYSA-N 0 1 287.403 3.701 20 0 CHADMN Cc1nc(SCCOC(C)C)[nH]c1-c1ccccc1 ZINC000187135009 1120011572 /nfs/dbraw/zinc/01/15/72/1120011572.db2.gz CVWBUPABFCEZLF-UHFFFAOYSA-N 0 1 276.405 3.902 20 0 CHADMN CC(C)[C@H]1CCCCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC001591088870 991626451 /nfs/dbraw/zinc/62/64/51/991626451.db2.gz NPEQZBMJPZWRRF-CQSZACIVSA-N 0 1 281.421 3.847 20 0 CHADMN CC(C)[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001591092428 991640335 /nfs/dbraw/zinc/64/03/35/991640335.db2.gz JROVDQGTTHABON-LBPRGKRZSA-N 0 1 281.783 3.516 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC001591119679 991788998 /nfs/dbraw/zinc/78/89/98/991788998.db2.gz FLHZPYHRHWAYST-UKRRQHHQSA-N 0 1 291.391 3.696 20 0 CHADMN CCc1nnc(CN2CC[C@H](C3CCCCC3)C2)s1 ZINC000661577835 1120255743 /nfs/dbraw/zinc/25/57/43/1120255743.db2.gz GMQKTMCHAVLDIQ-ZDUSSCGKSA-N 0 1 279.453 3.503 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC001591490808 992624394 /nfs/dbraw/zinc/62/43/94/992624394.db2.gz HHZKNDPMWDZDLK-KRWDZBQOSA-N 0 1 289.419 3.714 20 0 CHADMN C[N@@H+](Cc1csc(C(=O)[O-])c1)C(C)(C)c1ccccc1 ZINC001598533509 992818390 /nfs/dbraw/zinc/81/83/90/992818390.db2.gz LVPCJQMDOVXISE-UHFFFAOYSA-N 0 1 289.400 3.813 20 0 CHADMN C[C@H]([NH2+]Cc1ccc(Cl)s1)c1cc(C(=O)[O-])co1 ZINC001593298200 994710686 /nfs/dbraw/zinc/71/06/86/994710686.db2.gz FJCATBIMLSETDA-ZETCQYMHSA-N 0 1 285.752 3.544 20 0 CHADMN CCC[C@H](C)C[C@@H]([NH2+]Cc1ncc(C(C)C)s1)C(=O)[O-] ZINC000417558055 1120457384 /nfs/dbraw/zinc/45/73/84/1120457384.db2.gz DPEGVRFAUMVEKJ-NWDGAFQWSA-N 0 1 298.452 3.636 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(C)ns2)cc1C ZINC000922675034 1120578882 /nfs/dbraw/zinc/57/88/82/1120578882.db2.gz PRGLRUFEIDLZIN-LBPRGKRZSA-N 0 1 276.405 3.619 20 0 CHADMN C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC001593693402 996143937 /nfs/dbraw/zinc/14/39/37/996143937.db2.gz LKZGQOZTXXMUCS-YVEFUNNKSA-N 0 1 293.382 3.544 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001593719517 996243904 /nfs/dbraw/zinc/24/39/04/996243904.db2.gz NYIHVVOIULQSRE-ZDUSSCGKSA-N 0 1 299.370 3.589 20 0 CHADMN CCc1cc(CN[C@@H](CC)c2ccc(Cl)cc2)[nH]n1 ZINC000766005719 1120619732 /nfs/dbraw/zinc/61/97/32/1120619732.db2.gz XNLUVBSOGARSKC-HNNXBMFYSA-N 0 1 277.799 3.866 20 0 CHADMN CC1(C)CCCC[C@H]1C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC001593903467 996773401 /nfs/dbraw/zinc/77/34/01/996773401.db2.gz BFQTWSJGPLRVFC-KBPBESRZSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)Cc1ncc(CN2CCC[C@H](OC(C)C)C2)s1 ZINC000651898082 1120771475 /nfs/dbraw/zinc/77/14/75/1120771475.db2.gz SVWAOBZTGUIKCZ-AWEZNQCLSA-N 0 1 296.480 3.731 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)C1(C(=O)[O-])CCCCC1 ZINC001594112871 998216682 /nfs/dbraw/zinc/21/66/82/998216682.db2.gz BAPHJOFLKLUDCY-GJZGRUSLSA-N 0 1 279.424 3.698 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)C1(C(=O)[O-])CCCCC1 ZINC001594112873 998216797 /nfs/dbraw/zinc/21/67/97/998216797.db2.gz BAPHJOFLKLUDCY-LSDHHAIUSA-N 0 1 279.424 3.698 20 0 CHADMN CCCCC[C@@H](C)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000236808046 1121001883 /nfs/dbraw/zinc/00/18/83/1121001883.db2.gz ZJLVULPGZDHXRR-NEPJUHHUSA-N 0 1 267.417 3.987 20 0 CHADMN CCC(C)(C)NC(=O)[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000037980672 1121090162 /nfs/dbraw/zinc/09/01/62/1121090162.db2.gz INVBTRUUQYOLCN-VXGBXAGGSA-N 0 1 296.842 3.684 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(CC(C)C)cc1 ZINC000094904668 1121242375 /nfs/dbraw/zinc/24/23/75/1121242375.db2.gz JRGNSOHSTPSYOH-CQSZACIVSA-N 0 1 277.408 3.570 20 0 CHADMN CCC[C@@H]1CCCN(Cc2cccnc2Cl)C1 ZINC000708502407 1121467948 /nfs/dbraw/zinc/46/79/48/1121467948.db2.gz LKPQDWWCYGRCDR-GFCCVEGCSA-N 0 1 252.789 3.747 20 0 CHADMN C[C@H](C[N@H+]1CCCC[C@@H]1CCC(=O)[O-])CC(C)(C)C ZINC000709118756 1121467975 /nfs/dbraw/zinc/46/79/75/1121467975.db2.gz PMQUIMNYHZMOGH-UONOGXRCSA-N 0 1 269.429 3.778 20 0 CHADMN CCN(CCC1CCOCC1)Cc1c(F)cccc1F ZINC000432934888 1121486302 /nfs/dbraw/zinc/48/63/02/1121486302.db2.gz AUZLNFBZUDNVDE-UHFFFAOYSA-N 0 1 283.362 3.603 20 0 CHADMN CC(C)N1CC[C@@H](Oc2c(Cl)cccc2Cl)C1 ZINC001225205866 1121525830 /nfs/dbraw/zinc/52/58/30/1121525830.db2.gz HYKAVQCNYYZPTP-SNVBAGLBSA-N 0 1 274.191 3.855 20 0 CHADMN C[C@@H](c1ccco1)N(C)C[C@H]1CCCC2(CCC2)O1 ZINC000929369954 1121541771 /nfs/dbraw/zinc/54/17/71/1121541771.db2.gz MBAXYZXYWQSTNE-UONOGXRCSA-N 0 1 263.381 3.764 20 0 CHADMN Fc1nccc(Cl)c1CN1CCC[C@@H]1C1CCC1 ZINC001180086155 1121948520 /nfs/dbraw/zinc/94/85/20/1121948520.db2.gz GFHACYOVNRRTOU-CYBMUJFWSA-N 0 1 268.763 3.639 20 0 CHADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c(Cl)c1 ZINC001204284267 1122019875 /nfs/dbraw/zinc/01/98/75/1122019875.db2.gz CBKMZAGKPIVINX-FUNVUKJBSA-N 0 1 283.774 3.621 20 0 CHADMN CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000774614642 1122216470 /nfs/dbraw/zinc/21/64/70/1122216470.db2.gz VEHSDGBAPBMHHS-IAQYHMDHSA-N 0 1 285.790 3.635 20 0 CHADMN CC(C)[C@@H](C)N(C)Cc1csc(C(C)(C)C)n1 ZINC000504101114 1122286442 /nfs/dbraw/zinc/28/64/42/1122286442.db2.gz VQJXRPNDLSGIKY-LLVKDONJSA-N 0 1 254.443 3.917 20 0 CHADMN Clc1ccc([C@@H]2CCN2CCC[C@H]2CCO2)cc1 ZINC000638124745 1122484247 /nfs/dbraw/zinc/48/42/47/1122484247.db2.gz UYQWPDAWDCSVRH-GJZGRUSLSA-N 0 1 265.784 3.656 20 0 CHADMN CC[C@H]1CN(CCc2c(F)cccc2Cl)CCCO1 ZINC000439462985 1122783128 /nfs/dbraw/zinc/78/31/28/1122783128.db2.gz ACEHLCGLEVMBCM-LBPRGKRZSA-N 0 1 285.790 3.523 20 0 CHADMN FC(F)(F)c1coc(CN2CCC[C@H](C3CC3)C2)c1 ZINC001194808149 1122806384 /nfs/dbraw/zinc/80/63/84/1122806384.db2.gz XMPTYUCMVBVZKM-NSHDSACASA-N 0 1 273.298 3.920 20 0 CHADMN C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2)CC[C@@H]1O ZINC001203808330 1122870394 /nfs/dbraw/zinc/87/03/94/1122870394.db2.gz IMWWELXKGVXTDD-YGRLFVJLSA-N 0 1 288.218 3.586 20 0 CHADMN CC(C)[C@@H](C)N(C)Cc1csc(-c2ccco2)n1 ZINC000507254813 1122944263 /nfs/dbraw/zinc/94/42/63/1122944263.db2.gz XMMITYBAKFNUCV-LLVKDONJSA-N 0 1 264.394 3.879 20 0 CHADMN COCCN(Cc1cccs1)Cc1ccsc1C ZINC000350298554 1123192303 /nfs/dbraw/zinc/19/23/03/1123192303.db2.gz CQEWFEXFRDPHHP-UHFFFAOYSA-N 0 1 281.446 3.767 20 0 CHADMN COc1ccc([C@H](C)N[C@H]2C=CCC2)c(Br)c1 ZINC000850508527 1123277130 /nfs/dbraw/zinc/27/71/30/1123277130.db2.gz JUFACHOYKAUXLP-QWRGUYRKSA-N 0 1 296.208 3.827 20 0 CHADMN COCc1cnc(CN(C)[C@@H](C)C2CCCCC2)s1 ZINC000338957779 1123467735 /nfs/dbraw/zinc/46/77/35/1123467735.db2.gz LFEBYAHRVILWOS-LBPRGKRZSA-N 0 1 282.453 3.690 20 0 CHADMN CSCCCN(C)Cc1coc(-c2cccs2)n1 ZINC000281382803 1123700666 /nfs/dbraw/zinc/70/06/66/1123700666.db2.gz MJVZARLLEUUZQN-UHFFFAOYSA-N 0 1 282.434 3.588 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CC[C@](C)(C(N)=O)C1 ZINC000336310936 1123759766 /nfs/dbraw/zinc/75/97/66/1123759766.db2.gz JIIDDQAZLCOSDZ-OTYXRUKQSA-N 0 1 284.762 3.787 20 0 CHADMN COc1cccc(OC)c1[C@H](C)N[C@@H](C)CC(F)(F)F ZINC000713924588 1123887893 /nfs/dbraw/zinc/88/78/93/1123887893.db2.gz FQXQNDCIGHVAOX-UWVGGRQHSA-N 0 1 291.313 3.695 20 0 CHADMN CC[C@@H](NCc1cccnc1F)c1ccc(F)cc1 ZINC000794832984 1123967173 /nfs/dbraw/zinc/96/71/73/1123967173.db2.gz FVDWWXJMSPJVAA-CQSZACIVSA-N 0 1 262.303 3.601 20 0 CHADMN CCC[C@@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC000120872245 1124029229 /nfs/dbraw/zinc/02/92/29/1124029229.db2.gz OLPNKZWWKNSKDB-SNVBAGLBSA-N 0 1 258.818 3.809 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CCC(C(F)F)CC1 ZINC000428388601 1124072981 /nfs/dbraw/zinc/07/29/81/1124072981.db2.gz NENHPALAJYKTIA-UHFFFAOYSA-N 0 1 272.339 3.584 20 0 CHADMN CCC(CC)(CN[C@@H]1CCCn2ccnc21)C(F)(F)F ZINC000866506866 1124074626 /nfs/dbraw/zinc/07/46/26/1124074626.db2.gz RYCOJIKNPMGQMA-LLVKDONJSA-N 0 1 289.345 3.676 20 0 CHADMN CC(C)(C)[C@@H]1C[C@@H](NCC(F)(F)C(C)(C)C)CCO1 ZINC000872087792 1124680789 /nfs/dbraw/zinc/68/07/89/1124680789.db2.gz HLCJZPMDZQTVJS-RYUDHWBXSA-N 0 1 277.399 3.851 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2nccnc2C)cs1 ZINC000872135029 1124693936 /nfs/dbraw/zinc/69/39/36/1124693936.db2.gz URMTWHXEBHBATA-PWSUYJOCSA-N 0 1 261.394 3.567 20 0 CHADMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1cc(C(=O)[O-])cs1)C1CC1 ZINC000872157150 1124695679 /nfs/dbraw/zinc/69/56/79/1124695679.db2.gz LXVLTGVMRZDFLW-WDEREUQCSA-N 0 1 281.421 3.845 20 0 CHADMN Clc1cccnc1CN1CCC2(CCC2)CC1 ZINC000528508485 1124684688 /nfs/dbraw/zinc/68/46/88/1124684688.db2.gz WIOGEPXICVLPMQ-UHFFFAOYSA-N 0 1 250.773 3.501 20 0 CHADMN CC1(C2CC2)CCN(Cc2ncccc2Cl)CC1 ZINC000528509891 1124685840 /nfs/dbraw/zinc/68/58/40/1124685840.db2.gz REDVIZLKJQHDIC-UHFFFAOYSA-N 0 1 264.800 3.747 20 0 CHADMN CCOc1c(Cl)cccc1CN1CC[C@H]1C1CC1 ZINC000449428172 1124735459 /nfs/dbraw/zinc/73/54/59/1124735459.db2.gz QNUHOXIRSUFRKR-AWEZNQCLSA-N 0 1 265.784 3.723 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1Cc1ccc(Cl)nn1 ZINC000876775271 1124977727 /nfs/dbraw/zinc/97/77/27/1124977727.db2.gz SFOQTNNFHXSCIG-AAEUAGOBSA-N 0 1 267.804 3.531 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1Cc1nnc(C2CC2)s1 ZINC000450564262 1125056864 /nfs/dbraw/zinc/05/68/64/1125056864.db2.gz MLXUPCJAOVWUAK-AAEUAGOBSA-N 0 1 279.453 3.816 20 0 CHADMN CC(C)(C)CC(C)(C)NCc1nc2c(o1)CCCC2 ZINC000878045415 1125114990 /nfs/dbraw/zinc/11/49/90/1125114990.db2.gz ZMHPTFRUNINGLU-UHFFFAOYSA-N 0 1 264.413 3.858 20 0 CHADMN CC[C@@H](C)CN(C)CC(=O)Nc1ccc(Cl)cc1C ZINC000530870879 1125184442 /nfs/dbraw/zinc/18/44/42/1125184442.db2.gz GJWYGZOREDGPHW-LLVKDONJSA-N 0 1 282.815 3.565 20 0 CHADMN Cc1csc(CN2CCc3cc(F)ccc3C2)c1 ZINC001137159914 1125292979 /nfs/dbraw/zinc/29/29/79/1125292979.db2.gz NBENPMANAVLALR-UHFFFAOYSA-N 0 1 261.365 3.754 20 0 CHADMN CC[C@H](N[C@@H](C)c1cncs1)c1ccccc1OC ZINC000128954131 1125309275 /nfs/dbraw/zinc/30/92/75/1125309275.db2.gz XERYAMYSYVKOKU-AAEUAGOBSA-N 0 1 276.405 3.954 20 0 CHADMN Clc1ncccc1C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000830987853 1131473405 /nfs/dbraw/zinc/47/34/05/1131473405.db2.gz IQZGGWYBWONQGO-CQSZACIVSA-N 0 1 264.800 3.890 20 0 CHADMN Cc1cnc(CN2CCCC2(C)C)cc1Br ZINC001143648195 1131521372 /nfs/dbraw/zinc/52/13/72/1131521372.db2.gz UAPAVHJDENATAB-UHFFFAOYSA-N 0 1 283.213 3.527 20 0 CHADMN COc1c(F)cc(CN2CCC3(CC3)CC2)cc1Cl ZINC001143839893 1131538136 /nfs/dbraw/zinc/53/81/36/1131538136.db2.gz QWFFRHMPOPJHCS-UHFFFAOYSA-N 0 1 283.774 3.864 20 0 CHADMN FC(F)Oc1ccccc1CN1CCCCC12CC2 ZINC001138911372 1131560141 /nfs/dbraw/zinc/56/01/41/1131560141.db2.gz PKOLUFNLUQSGRP-UHFFFAOYSA-N 0 1 267.319 3.807 20 0 CHADMN CCCC(C)(C)C(=O)Nc1nc2cccc(C)c2[nH]1 ZINC001144109285 1131584026 /nfs/dbraw/zinc/58/40/26/1131584026.db2.gz FBOYKWQOCPMUPN-UHFFFAOYSA-N 0 1 259.353 3.636 20 0 CHADMN Cc1c(O)cccc1CN(C)Cc1ccc(Cl)cc1 ZINC001144119098 1131587011 /nfs/dbraw/zinc/58/70/11/1131587011.db2.gz SNLYNNSBHBLNKO-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN Cc1cc(CN2[C@H](C)CCC[C@@H]2C)cnc1Cl ZINC001139542677 1131614454 /nfs/dbraw/zinc/61/44/54/1131614454.db2.gz NHTLRZVVISFIIE-TXEJJXNPSA-N 0 1 252.789 3.806 20 0 CHADMN CCOc1ccc(CN2CCC(OCC)CC2)cc1Cl ZINC001139596465 1131619217 /nfs/dbraw/zinc/61/92/17/1131619217.db2.gz YPDCHMMCETUUMP-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN COCc1ccc(CN2CCCC[C@@](C)(F)C2)s1 ZINC001139823607 1131639091 /nfs/dbraw/zinc/63/90/91/1131639091.db2.gz ARCAWRYIPGKUEI-CQSZACIVSA-N 0 1 271.401 3.609 20 0 CHADMN Oc1ccc(CN2CCC23CCCC3)c(Cl)c1 ZINC001140081926 1131662300 /nfs/dbraw/zinc/66/23/00/1131662300.db2.gz HCAYBNFOCXUASY-UHFFFAOYSA-N 0 1 251.757 3.564 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2cc(C(F)(F)F)ccn2)C1 ZINC001140108999 1131664385 /nfs/dbraw/zinc/66/43/85/1131664385.db2.gz WLISVUCHFZFJNY-PHIMTYICSA-N 0 1 272.314 3.578 20 0 CHADMN CC[C@@H](NCc1cccc(F)n1)c1cccs1 ZINC000773084736 1131937861 /nfs/dbraw/zinc/93/78/61/1131937861.db2.gz FHOXUHUKWANYBW-LLVKDONJSA-N 0 1 250.342 3.523 20 0 CHADMN CC[C@H](NCc1cnn(C)c1Cl)c1ccc(C)cc1 ZINC000712402861 1131955814 /nfs/dbraw/zinc/95/58/14/1131955814.db2.gz SYJLDPRJEIIAER-AWEZNQCLSA-N 0 1 277.799 3.623 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccns1)c1ccccc1OC ZINC000715931463 1131995996 /nfs/dbraw/zinc/99/59/96/1131995996.db2.gz LGNGQLLCDYACMJ-AAEUAGOBSA-N 0 1 276.405 3.954 20 0 CHADMN Cc1cc(Cl)cc(CN[C@H](C)c2ccns2)c1 ZINC000716030708 1132002552 /nfs/dbraw/zinc/00/25/52/1132002552.db2.gz ONMBFNRUFHZUCL-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN O=C(OC[C@@H]1CCC(F)(F)C1)c1ccc(O)c(Cl)c1 ZINC000837333824 1132067289 /nfs/dbraw/zinc/06/72/89/1132067289.db2.gz YJAJTKGDQJETPC-MRVPVSSYSA-N 0 1 290.693 3.638 20 0 CHADMN Cc1cc([C@H]2CCCN2[C@H](C)CCOCC(C)C)no1 ZINC001172466276 1132244281 /nfs/dbraw/zinc/24/42/81/1132244281.db2.gz HNZGRFBEOCGYEI-CZUORRHYSA-N 0 1 280.412 3.571 20 0 CHADMN CC[C@@H](C)C[C@@H](CC)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047369 1132248168 /nfs/dbraw/zinc/24/81/68/1132248168.db2.gz QTWLRCOOYYUOCK-RKDXNWHRSA-N 0 1 282.775 3.600 20 0 CHADMN CC(F)(F)c1ccc(Nc2cc(=O)[nH]c(Cl)n2)cc1 ZINC001212674477 1132286390 /nfs/dbraw/zinc/28/63/90/1132286390.db2.gz YIKBVZUXHWNZKM-UHFFFAOYSA-N 0 1 285.681 3.691 20 0 CHADMN Cc1c(F)ccc(CN2CC[C@]3(CC3(F)F)C2)c1F ZINC001231477744 1132299325 /nfs/dbraw/zinc/29/93/25/1132299325.db2.gz QBMQSTJBXGGKKW-ZDUSSCGKSA-N 0 1 273.273 3.504 20 0 CHADMN CCC(CC)(NC1CCC2(CCCC2)CC1)C(=O)OC ZINC001172728298 1132302098 /nfs/dbraw/zinc/30/20/98/1132302098.db2.gz FKULSNUTBIQTIA-UHFFFAOYSA-N 0 1 281.440 3.811 20 0 CHADMN C[C@H]1CC[N@H+](Cc2ccc(Cl)c([O-])c2)[C@@H](C)C1 ZINC001231734195 1132348588 /nfs/dbraw/zinc/34/85/88/1132348588.db2.gz RIYCVTHTAFZURE-QWRGUYRKSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(Cl)c([O-])c2)[C@@H](C)C1 ZINC001231734195 1132348597 /nfs/dbraw/zinc/34/85/97/1132348597.db2.gz RIYCVTHTAFZURE-QWRGUYRKSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@]1(F)CCCN(Cc2ccnc(C(F)F)c2)CC1 ZINC001231887794 1132394462 /nfs/dbraw/zinc/39/44/62/1132394462.db2.gz XTPZAYKEAGYQSO-CQSZACIVSA-N 0 1 272.314 3.733 20 0 CHADMN CCCCCC(C)(C)c1nc([C@@H](N)CC(C)C)no1 ZINC000842586314 1132443490 /nfs/dbraw/zinc/44/34/90/1132443490.db2.gz PWSOOPMNIFJEJD-LBPRGKRZSA-N 0 1 267.417 3.973 20 0 CHADMN CCCCCN1CCN(Cc2cc(Cl)cs2)CC1 ZINC001232281749 1132448674 /nfs/dbraw/zinc/44/86/74/1132448674.db2.gz POAQEJINUNOZFR-UHFFFAOYSA-N 0 1 286.872 3.709 20 0 CHADMN CC[C@H]1CCCN1Cc1ccc(Br)nc1C ZINC001232321988 1132454348 /nfs/dbraw/zinc/45/43/48/1132454348.db2.gz BWGQFEVJYROMCL-LBPRGKRZSA-N 0 1 283.213 3.527 20 0 CHADMN CSc1cc(C)c(CN(C)Cc2cccs2)cn1 ZINC001232345677 1132457678 /nfs/dbraw/zinc/45/76/78/1132457678.db2.gz HNYISNTZDUKICW-UHFFFAOYSA-N 0 1 278.446 3.805 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cnc(Br)cc1C ZINC001232315360 1132453144 /nfs/dbraw/zinc/45/31/44/1132453144.db2.gz BYXZOMYXENCBLJ-CYBMUJFWSA-N 0 1 297.240 3.917 20 0 CHADMN CC[C@@H]1CCN(Cc2cc(OC)c(Cl)cc2OC)C1 ZINC001232374873 1132462850 /nfs/dbraw/zinc/46/28/50/1132462850.db2.gz CPFPFZXAGUPLGU-LLVKDONJSA-N 0 1 283.799 3.589 20 0 CHADMN COc1cc(Cl)ccc1CN1CCC[C@@H](CF)C1 ZINC001232499803 1132481472 /nfs/dbraw/zinc/48/14/72/1132481472.db2.gz QBUOQYYBXMLHOY-NSHDSACASA-N 0 1 271.763 3.530 20 0 CHADMN Cc1cc(CN2CCC3(CC3)CC2)c(F)cc1F ZINC001232785204 1132520311 /nfs/dbraw/zinc/52/03/11/1132520311.db2.gz OHIFDDRYNMFHPL-UHFFFAOYSA-N 0 1 251.320 3.649 20 0 CHADMN CC[C@@H]1CCN(Cc2ccc(C(F)(F)F)nc2Cl)C1 ZINC001232792295 1132520762 /nfs/dbraw/zinc/52/07/62/1132520762.db2.gz BZUVRUSDWIOTGO-SECBINFHSA-N 0 1 292.732 3.986 20 0 CHADMN CN(Cc1cc(Br)co1)Cc1ccccc1 ZINC001232850597 1132531913 /nfs/dbraw/zinc/53/19/13/1132531913.db2.gz SQYPPKJGVVUUFM-UHFFFAOYSA-N 0 1 280.165 3.674 20 0 CHADMN Cc1cnc(Cl)c(Nc2ccc(Cl)c(O)c2F)n1 ZINC001214796400 1132550968 /nfs/dbraw/zinc/55/09/68/1132550968.db2.gz SSRIILUOFNTZFM-UHFFFAOYSA-N 0 1 288.109 3.680 20 0 CHADMN FC(F)(F)Sc1cccc(Nc2ccncc2)c1 ZINC001173882208 1132623484 /nfs/dbraw/zinc/62/34/84/1132623484.db2.gz BZTJUSWVTXPANY-UHFFFAOYSA-N 0 1 270.279 3.859 20 0 CHADMN COc1cccc(C(=O)C(F)(F)F)c1NC1=CCCC1 ZINC001173999750 1132670655 /nfs/dbraw/zinc/67/06/55/1132670655.db2.gz JYCBJTANSGVFKL-UHFFFAOYSA-N 0 1 285.265 3.920 20 0 CHADMN CN(C)c1nc(Cl)c(CN2C3CCCC2CCC3)s1 ZINC001204206087 1133418851 /nfs/dbraw/zinc/41/88/51/1133418851.db2.gz ZAIQFEBUBRXRJE-UHFFFAOYSA-N 0 1 299.871 3.770 20 0 CHADMN FC(F)Oc1ccc(CN2CCCC[C@@H](F)C2)cc1 ZINC001204419411 1133444258 /nfs/dbraw/zinc/44/42/58/1133444258.db2.gz XJFCELRBXVDAKB-GFCCVEGCSA-N 0 1 273.298 3.612 20 0 CHADMN C[C@H]1CCC[C@H](C)[N@@H+](Cc2ccc([O-])c(F)c2)C1 ZINC001204777691 1133484606 /nfs/dbraw/zinc/48/46/06/1133484606.db2.gz XJXZHMCVQGNQHO-RYUDHWBXSA-N 0 1 251.345 3.542 20 0 CHADMN COC(C)(C)CCC[C@H](C)CCN1CCC(=O)C[C@H]1C ZINC001208202806 1133907540 /nfs/dbraw/zinc/90/75/40/1133907540.db2.gz OCFBQDPMOCYZRL-LSDHHAIUSA-N 0 1 283.456 3.661 20 0 CHADMN Oc1cccnc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210924927 1134329701 /nfs/dbraw/zinc/32/97/01/1134329701.db2.gz XWIWHTKACNBARX-UHFFFAOYSA-N 0 1 271.103 3.543 20 0 CHADMN Oc1c(F)c(Nc2ccc[nH]c2=S)ccc1Cl ZINC001214796077 1134573747 /nfs/dbraw/zinc/57/37/47/1134573747.db2.gz GKLBBDHZBWCMJE-UHFFFAOYSA-N 0 1 270.716 3.612 20 0 CHADMN O=c1cc[nH]c(Cl)c1Nc1ccc(Cl)c(O)c1F ZINC001214798460 1134574765 /nfs/dbraw/zinc/57/47/65/1134574765.db2.gz SGJSBEXRDPAXBG-UHFFFAOYSA-N 0 1 289.093 3.682 20 0 CHADMN OCc1ccc(F)c(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214801243 1134574781 /nfs/dbraw/zinc/57/47/81/1134574781.db2.gz GEKZMQWSGQYGTJ-UHFFFAOYSA-N 0 1 285.677 3.560 20 0 CHADMN Cc1ccc(Nc2ccc(Cl)c(O)c2F)c(O)c1 ZINC001214799530 1134575601 /nfs/dbraw/zinc/57/56/01/1134575601.db2.gz XBZZKRMAPKSKEX-UHFFFAOYSA-N 0 1 267.687 3.942 20 0 CHADMN CC(C)[N@H+]1CC[C@H](Oc2cc(Cl)c(O)cc2Cl)C1 ZINC001227640423 1135852330 /nfs/dbraw/zinc/85/23/30/1135852330.db2.gz BCZIFQLJOHWLMO-VIFPVBQESA-N 0 1 290.190 3.561 20 0 CHADMN CC(C)[N@@H+]1CC[C@H](Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227640423 1135852335 /nfs/dbraw/zinc/85/23/35/1135852335.db2.gz BCZIFQLJOHWLMO-VIFPVBQESA-N 0 1 290.190 3.561 20 0 CHADMN CC(C)[N@H+]1CC[C@H](Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227640423 1135852340 /nfs/dbraw/zinc/85/23/40/1135852340.db2.gz BCZIFQLJOHWLMO-VIFPVBQESA-N 0 1 290.190 3.561 20 0 CHADMN COCCCCCN[C@@H](c1nccs1)c1ccccc1 ZINC000116878020 1125513272 /nfs/dbraw/zinc/51/32/72/1125513272.db2.gz WOVNXONWJAPDKI-OAHLLOKOSA-N 0 1 290.432 3.639 20 0 CHADMN CCO[C@@H](C)c1noc(CN(CC(C)C)CC(C)(C)C)n1 ZINC000134449670 1125518827 /nfs/dbraw/zinc/51/88/27/1125518827.db2.gz PIMOJYFJJSKAME-ZDUSSCGKSA-N 0 1 297.443 3.671 20 0 CHADMN CCO[C@H](C)c1noc(CN(CC(C)C)CC(C)(C)C)n1 ZINC000134449697 1125517787 /nfs/dbraw/zinc/51/77/87/1125517787.db2.gz PIMOJYFJJSKAME-CYBMUJFWSA-N 0 1 297.443 3.671 20 0 CHADMN CC(C)(C)OC1CCN(Cc2ccccc2F)CC1 ZINC000119023948 1125527495 /nfs/dbraw/zinc/52/74/95/1125527495.db2.gz KZAWPXYQUSWXKH-UHFFFAOYSA-N 0 1 265.372 3.605 20 0 CHADMN CC(C)(NCCOc1ccc(Cl)cc1)c1nccs1 ZINC000118848279 1125526508 /nfs/dbraw/zinc/52/65/08/1125526508.db2.gz AMHKHCPOIUJMBB-UHFFFAOYSA-N 0 1 296.823 3.700 20 0 CHADMN Cc1ccoc1CN(C)CCO[C@H]1CCCC[C@H]1C ZINC000429374425 1125530849 /nfs/dbraw/zinc/53/08/49/1125530849.db2.gz COYRCWVXCPYFQI-HIFRSBDPSA-N 0 1 265.397 3.615 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2c2ccccn2)cc1F ZINC000536629761 1125535101 /nfs/dbraw/zinc/53/51/01/1125535101.db2.gz XNLHNSSIUISFPY-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](C)c1ccccc1OC ZINC000119827859 1125537923 /nfs/dbraw/zinc/53/79/23/1125537923.db2.gz LYLVFLFMWOGXJH-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN CCCN(Cc1ccn(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000466795102 1125538975 /nfs/dbraw/zinc/53/89/75/1125538975.db2.gz IPQGJVVZDHOPFJ-UHFFFAOYSA-N 0 1 289.810 3.900 20 0 CHADMN CCN(Cc1cnn(C(C)(C)C)c1)Cc1cccs1 ZINC000120002228 1125540948 /nfs/dbraw/zinc/54/09/48/1125540948.db2.gz YNPANLBOKXJDTQ-UHFFFAOYSA-N 0 1 277.437 3.722 20 0 CHADMN CN(Cc1ccsc1)Cc1ccc(OC(F)F)cc1 ZINC000060465436 1125544696 /nfs/dbraw/zinc/54/46/96/1125544696.db2.gz YIMORQDKVYRMOG-UHFFFAOYSA-N 0 1 283.343 3.982 20 0 CHADMN CC(C)Oc1cccc(C[N@@H+](C)Cc2cccnc2)c1 ZINC000120621828 1125549326 /nfs/dbraw/zinc/54/93/26/1125549326.db2.gz FGILCNBBQUFSSX-UHFFFAOYSA-N 0 1 270.376 3.501 20 0 CHADMN CC(C)Oc1cccc(CN(C)Cc2cccnc2)c1 ZINC000120621828 1125549332 /nfs/dbraw/zinc/54/93/32/1125549332.db2.gz FGILCNBBQUFSSX-UHFFFAOYSA-N 0 1 270.376 3.501 20 0 CHADMN Fc1cccc(Cl)c1CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000193991414 1125550620 /nfs/dbraw/zinc/55/06/20/1125550620.db2.gz ZLMXGZXTGIYMIG-NSHDSACASA-N 0 1 293.773 3.582 20 0 CHADMN CCCC[C@H](C)N(C)Cc1ccsc1C(=O)OC ZINC000393204692 1125550694 /nfs/dbraw/zinc/55/06/94/1125550694.db2.gz CUEKVIGKFYGYBO-NSHDSACASA-N 0 1 269.410 3.545 20 0 CHADMN CCC[C@H](N[C@H](C)c1cnn(C)c1)c1ccc(F)cc1F ZINC000120874955 1125552234 /nfs/dbraw/zinc/55/22/34/1125552234.db2.gz IQVDBVSOTWEELX-BZNIZROVSA-N 0 1 293.361 3.890 20 0 CHADMN c1coc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000120843111 1125552352 /nfs/dbraw/zinc/55/23/52/1125552352.db2.gz OUWKMYOIGUDJOB-WMLDXEAASA-N 0 1 271.360 3.537 20 0 CHADMN Cc1cccc2c1OCC[C@H]2N[C@@H](C)c1cccc(O)c1 ZINC000194968807 1125558711 /nfs/dbraw/zinc/55/87/11/1125558711.db2.gz VJADPGXHWPWUTM-SUMWQHHRSA-N 0 1 283.371 3.875 20 0 CHADMN C[C@H]1CCN(Cc2ccccn2)[C@H]1c1cccc(F)c1 ZINC000245411521 1125570385 /nfs/dbraw/zinc/57/03/85/1125570385.db2.gz XFHAFURJURUOOR-SUMWQHHRSA-N 0 1 270.351 3.804 20 0 CHADMN Cc1nnc(CN(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)o1 ZINC000245466608 1125573259 /nfs/dbraw/zinc/57/32/59/1125573259.db2.gz JIPZNFZUMVHHDG-WDEREUQCSA-N 0 1 293.798 3.655 20 0 CHADMN C[C@@H]1CCCN(Cc2csc(C3CC3)n2)[C@H]1C ZINC000245592221 1125584659 /nfs/dbraw/zinc/58/46/59/1125584659.db2.gz GNSGDFMSCNQNKW-MNOVXSKESA-N 0 1 250.411 3.641 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)NOCC(C)C)c1ccccc1 ZINC000135344664 1125586551 /nfs/dbraw/zinc/58/65/51/1125586551.db2.gz DLJLCGGRVOYCKE-UKRRQHHQSA-N 0 1 263.381 3.520 20 0 CHADMN CC[C@@H]1CN(CCCC2CCCCC2)C[C@@H](C)[S@@]1=O ZINC000348550230 1125591564 /nfs/dbraw/zinc/59/15/64/1125591564.db2.gz SNZJBNQMFLSXAK-OGWOLHLISA-N 0 1 285.497 3.578 20 0 CHADMN CCC[C@H](O)CNCc1c(Cl)ccc(Cl)c1Cl ZINC000134554757 1125598233 /nfs/dbraw/zinc/59/82/33/1125598233.db2.gz MMDKSCBOGVIZTL-QMMMGPOBSA-N 0 1 296.625 3.897 20 0 CHADMN Cc1cc(CN)oc1C(=O)N[C@H](C)CCC1CCCCC1 ZINC000638007765 1129239919 /nfs/dbraw/zinc/23/99/19/1129239919.db2.gz OYMVSECIGGKYSE-CYBMUJFWSA-N 0 1 292.423 3.526 20 0 CHADMN CC(C)c1cccc(NC(=O)[C@@H]2NCCc3ccccc32)c1 ZINC000236864090 1125601471 /nfs/dbraw/zinc/60/14/71/1125601471.db2.gz AAXSFZYSHISUEC-GOSISDBHSA-N 0 1 294.398 3.636 20 0 CHADMN COc1ccc(C)cc1CN(C)[C@H](C)c1cccc(O)c1 ZINC000533377975 1125603435 /nfs/dbraw/zinc/60/34/35/1125603435.db2.gz MKGKIJPPKVYJIB-CQSZACIVSA-N 0 1 285.387 3.902 20 0 CHADMN CC[C@@]1(C)CCN(Cc2nc(C)c3ccccc3n2)C1 ZINC000533482921 1125610317 /nfs/dbraw/zinc/61/03/17/1125610317.db2.gz CAZAYOMXOIFJEF-KRWDZBQOSA-N 0 1 269.392 3.560 20 0 CHADMN Cc1ccccc1OCCCN1CCc2ccc(O)cc2C1 ZINC000533530091 1125613127 /nfs/dbraw/zinc/61/31/27/1125613127.db2.gz CVXKWZOWDQFFJJ-UHFFFAOYSA-N 0 1 297.398 3.528 20 0 CHADMN Cc1coc(CNCc2ccc(OC(F)(F)F)cc2)c1 ZINC000885909902 1125626088 /nfs/dbraw/zinc/62/60/88/1125626088.db2.gz BEGVOQQMNYMJIN-UHFFFAOYSA-N 0 1 285.265 3.776 20 0 CHADMN CC[C@@H](C)[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000067379611 1125626417 /nfs/dbraw/zinc/62/64/17/1125626417.db2.gz XCZLIQKOVHIEQY-SNVBAGLBSA-N 0 1 250.367 3.633 20 0 CHADMN CC[C@@H](C)N(C)Cc1ncc(-c2cccs2)o1 ZINC000067379611 1125626420 /nfs/dbraw/zinc/62/64/20/1125626420.db2.gz XCZLIQKOVHIEQY-SNVBAGLBSA-N 0 1 250.367 3.633 20 0 CHADMN CCCN(C)[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000069093178 1125629510 /nfs/dbraw/zinc/62/95/10/1125629510.db2.gz JMUIVQVRHCDCNH-NSHDSACASA-N 0 1 277.343 3.587 20 0 CHADMN Clc1ccc(C2(NCc3ccncc3)CC2)cc1 ZINC000069878562 1125630868 /nfs/dbraw/zinc/63/08/68/1125630868.db2.gz QOEVWLWQNFWWGR-UHFFFAOYSA-N 0 1 258.752 3.514 20 0 CHADMN CN(Cc1ccc(Cl)nc1)C[C@H]1CCC2(CCC2)CO1 ZINC000886032739 1125639045 /nfs/dbraw/zinc/63/90/45/1125639045.db2.gz MWPQNXXKSUBVGB-CQSZACIVSA-N 0 1 294.826 3.516 20 0 CHADMN CN(Cc1ccc(Cl)nc1)C[C@@H]1CCC2(CCC2)CO1 ZINC000886032738 1125639307 /nfs/dbraw/zinc/63/93/07/1125639307.db2.gz MWPQNXXKSUBVGB-AWEZNQCLSA-N 0 1 294.826 3.516 20 0 CHADMN Cc1nc2cc(NCc3n[nH]c(C)c3C)ccc2s1 ZINC000886060053 1125643497 /nfs/dbraw/zinc/64/34/97/1125643497.db2.gz SQXBSGKSVKVGCT-UHFFFAOYSA-N 0 1 272.377 3.557 20 0 CHADMN CCS[C@@H]1CCCCN([C@H](C)c2nc(C3CC3)no2)C1 ZINC000246620931 1125645636 /nfs/dbraw/zinc/64/56/36/1125645636.db2.gz MSDRKFVWADDCBE-DGCLKSJQSA-N 0 1 295.452 3.616 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@H]2OCCC[C@H]2C1 ZINC000246547805 1125645771 /nfs/dbraw/zinc/64/57/71/1125645771.db2.gz GRAYLAQIAAATFN-HZSPNIEDSA-N 0 1 292.423 3.534 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1[nH]nc(C)c1C ZINC000886107182 1125650203 /nfs/dbraw/zinc/65/02/03/1125650203.db2.gz MPLWFIADPDKNQH-GFCCVEGCSA-N 0 1 275.421 3.599 20 0 CHADMN c1ccc(C2=CCCN(C[C@@H]3CCC4(CCC4)CO3)C2)nc1 ZINC000886217526 1125661191 /nfs/dbraw/zinc/66/11/91/1125661191.db2.gz BMMIWSIHIDPHNI-KRWDZBQOSA-N 0 1 298.430 3.520 20 0 CHADMN Cc1cc(CN2CC[C@@H](c3ccccc3)[C@@H](C)C2)no1 ZINC000246943568 1125652087 /nfs/dbraw/zinc/65/20/87/1125652087.db2.gz QWHSGVKXUKSSRP-SUMWQHHRSA-N 0 1 270.376 3.609 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Cl)s2)C[C@H]1n1ccnc1 ZINC000247033578 1125652784 /nfs/dbraw/zinc/65/27/84/1125652784.db2.gz DNSCHCGQBAOIPX-WCQYABFASA-N 0 1 295.839 3.681 20 0 CHADMN COc1cc(Cl)c(NCc2n[nH]c(C)c2C)cc1C ZINC000886118877 1125652818 /nfs/dbraw/zinc/65/28/18/1125652818.db2.gz RSUUKHKFEPHPPP-UHFFFAOYSA-N 0 1 279.771 3.609 20 0 CHADMN CC[C@H](NCCSC(F)(F)F)c1nc(C)cs1 ZINC000886125603 1125653177 /nfs/dbraw/zinc/65/31/77/1125653177.db2.gz XBJCWMXOYZFSLC-QMMMGPOBSA-N 0 1 284.372 3.745 20 0 CHADMN CC[C@H]1CN(Cc2cc(C)nc3ccccc23)C[C@@H](C)O1 ZINC000247228007 1125654894 /nfs/dbraw/zinc/65/48/94/1125654894.db2.gz XHAAXHAYRGBLFZ-ZBFHGGJFSA-N 0 1 284.403 3.543 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)C[C@H]1CCCO1 ZINC000247160560 1125655354 /nfs/dbraw/zinc/65/53/54/1125655354.db2.gz SSMGCIWYFSJAOO-DOMZBBRYSA-N 0 1 269.335 3.527 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N(C)C[C@H]1CCCO1 ZINC000247160560 1125655358 /nfs/dbraw/zinc/65/53/58/1125655358.db2.gz SSMGCIWYFSJAOO-DOMZBBRYSA-N 0 1 269.335 3.527 20 0 CHADMN CO[C@H]1CCC[C@H](NCC(F)(F)C(C)(C)C)CC1 ZINC000886164622 1125657870 /nfs/dbraw/zinc/65/78/70/1125657870.db2.gz PYAUNWWYPGWIAR-RYUDHWBXSA-N 0 1 263.372 3.605 20 0 CHADMN CCS[C@H](C)c1noc(CN(C)[C@H]2CCC[C@@H](C)C2)n1 ZINC000248120024 1125661875 /nfs/dbraw/zinc/66/18/75/1125661875.db2.gz NFCGQCRYDWWTKH-UPJWGTAASA-N 0 1 297.468 3.894 20 0 CHADMN C[C@@H](N[C@@H](CN(C)C)c1ccc(Cl)cc1)c1ccco1 ZINC000282953834 1125662688 /nfs/dbraw/zinc/66/26/88/1125662688.db2.gz CBPIIIWZLOTPHD-DOMZBBRYSA-N 0 1 292.810 3.887 20 0 CHADMN CCCCN(C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000248206832 1125663370 /nfs/dbraw/zinc/66/33/70/1125663370.db2.gz BINMMIHDNYSESV-LBPRGKRZSA-N 0 1 259.353 3.530 20 0 CHADMN C[C@H]1c2ccccc2CN1C[C@H]1CC[C@H](C2CC2)O1 ZINC000886296081 1125667056 /nfs/dbraw/zinc/66/70/56/1125667056.db2.gz ZWPYSJSLDJVXJS-XGWLTEMNSA-N 0 1 257.377 3.521 20 0 CHADMN c1csc([C@@H]2CSCCN2C[C@@H]2CC=CCC2)n1 ZINC000248721221 1125674834 /nfs/dbraw/zinc/67/48/34/1125674834.db2.gz OMOXWPLDIQHXJL-OLZOCXBDSA-N 0 1 280.462 3.589 20 0 CHADMN Cc1[nH]ncc1CNc1ccc2c(c1)C=CC1(CCC1)O2 ZINC000886389472 1125676487 /nfs/dbraw/zinc/67/64/87/1125676487.db2.gz KMXMIQCTHCTDKN-UHFFFAOYSA-N 0 1 281.359 3.659 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCCCCC2)[C@@H]2CCC[C@@H]21 ZINC000629373542 1125679234 /nfs/dbraw/zinc/67/92/34/1125679234.db2.gz JHQXSORDHPEHEG-BZUAXINKSA-N 0 1 279.424 3.532 20 0 CHADMN c1ccc2c(c1)CSC[C@H]2N[C@H]1CCc2cccnc21 ZINC000886516546 1125682614 /nfs/dbraw/zinc/68/26/14/1125682614.db2.gz NBJUVFISDDSUJJ-JKSUJKDBSA-N 0 1 282.412 3.647 20 0 CHADMN Clc1cccc2c1CC[C@H]2N[C@H]1CCc2cccnc21 ZINC000886516665 1125682812 /nfs/dbraw/zinc/68/28/12/1125682812.db2.gz SNQMSWVVKLOTPI-CVEARBPZSA-N 0 1 284.790 3.999 20 0 CHADMN Clc1cccc2c1CC[C@H]2N[C@@H]1CCc2cccnc21 ZINC000886516667 1125682974 /nfs/dbraw/zinc/68/29/74/1125682974.db2.gz SNQMSWVVKLOTPI-HZPDHXFCSA-N 0 1 284.790 3.999 20 0 CHADMN Cc1c2ccccc2oc1CN[C@H]1CCc2cccnc21 ZINC000886528032 1125683913 /nfs/dbraw/zinc/68/39/13/1125683913.db2.gz FUMRVWJIHYAMPQ-HNNXBMFYSA-N 0 1 278.355 3.913 20 0 CHADMN Cc1nc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)cs1 ZINC000076807398 1125685832 /nfs/dbraw/zinc/68/58/32/1125685832.db2.gz BUXBTGPZPKCZQJ-AWEZNQCLSA-N 0 1 290.407 3.655 20 0 CHADMN Cc1ncc([C@@H](C)N2CCCC[C@@H]2c2ccco2)c(C)n1 ZINC000638073485 1129242655 /nfs/dbraw/zinc/24/26/55/1129242655.db2.gz DKMIKYXHPDWYAN-CZUORRHYSA-N 0 1 285.391 3.975 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)[C@@H]2c2ccccc2)no1 ZINC000886540997 1125687009 /nfs/dbraw/zinc/68/70/09/1125687009.db2.gz OHKFUGRKFNQVJJ-MLGOLLRUSA-N 0 1 256.349 3.566 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)C1 ZINC000629375790 1125687720 /nfs/dbraw/zinc/68/77/20/1125687720.db2.gz BAFIWVGQGKAZHS-UHDSXZAQSA-N 0 1 293.451 3.778 20 0 CHADMN CCCCc1ccc([C@@H](C)NCc2cc(C)nn2C)cc1 ZINC000284198454 1125687731 /nfs/dbraw/zinc/68/77/31/1125687731.db2.gz GKMLZNCBBZZCEA-OAHLLOKOSA-N 0 1 285.435 3.922 20 0 CHADMN C[C@H](NCc1cnc(C(C)(C)C)nc1)c1ccccc1 ZINC000284425063 1125695909 /nfs/dbraw/zinc/69/59/09/1125695909.db2.gz ROPAHHYAURIJIW-ZDUSSCGKSA-N 0 1 269.392 3.625 20 0 CHADMN CSCc1ccc(CN[C@H]2CCc3cccnc32)cc1 ZINC000886608896 1125696542 /nfs/dbraw/zinc/69/65/42/1125696542.db2.gz HVCHJNLUDBJOLX-INIZCTEOSA-N 0 1 284.428 3.722 20 0 CHADMN Cc1cc2cc(CN[C@H]3CCc4cccnc43)ccc2[nH]1 ZINC000886608763 1125697037 /nfs/dbraw/zinc/69/70/37/1125697037.db2.gz FNIXSBMJNMALTH-KRWDZBQOSA-N 0 1 277.371 3.648 20 0 CHADMN Fc1cccc2c1CCC[C@H]2N[C@H]1CCc2cccnc21 ZINC000886615652 1125698621 /nfs/dbraw/zinc/69/86/21/1125698621.db2.gz KUMQMMLAGPLJBH-SJORKVTESA-N 0 1 282.362 3.875 20 0 CHADMN Clc1ccc2c(c1)[C@H](N[C@H]1CCc3cccnc31)CC2 ZINC000886644929 1125701931 /nfs/dbraw/zinc/70/19/31/1125701931.db2.gz OLOGCBORWMIORM-CVEARBPZSA-N 0 1 284.790 3.999 20 0 CHADMN CC(C)(C)Oc1cccc(CNCc2ccc(F)cc2)n1 ZINC000348397335 1125723245 /nfs/dbraw/zinc/72/32/45/1125723245.db2.gz YGPFQGWHHDPTOT-UHFFFAOYSA-N 0 1 288.366 3.688 20 0 CHADMN CN(Cc1ccco1)Cc1cc2cc(F)ccc2o1 ZINC000162136875 1125736170 /nfs/dbraw/zinc/73/61/70/1125736170.db2.gz BZBBKYLZNBSSIG-UHFFFAOYSA-N 0 1 259.280 3.797 20 0 CHADMN C[C@@H](c1ncc(-c2ccccc2)o1)N1CCCSCC1 ZINC000089986206 1125737999 /nfs/dbraw/zinc/73/79/99/1125737999.db2.gz BVPADBYQKJQBAN-ZDUSSCGKSA-N 0 1 288.416 3.842 20 0 CHADMN Cc1cc(C)cc([C@H](C)NCc2cccc(N(C)C)n2)c1 ZINC000090850781 1125747731 /nfs/dbraw/zinc/74/77/31/1125747731.db2.gz LWPNNWRXBCOJNT-HNNXBMFYSA-N 0 1 283.419 3.615 20 0 CHADMN C[C@@H](N[C@H]1CCCc2cc(F)ccc21)c1ccccn1 ZINC000090964191 1125747738 /nfs/dbraw/zinc/74/77/38/1125747738.db2.gz HEDULYPHJBXANO-PXAZEXFGSA-N 0 1 270.351 3.949 20 0 CHADMN Cc1ccc(S[C@H](C)c2nc(C3(N)CCC3)no2)cc1 ZINC000261993981 1125749727 /nfs/dbraw/zinc/74/97/27/1125749727.db2.gz SQMGMIGCIKSASY-LLVKDONJSA-N 0 1 289.404 3.569 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nc2ccccc2n1C)c1ccncc1 ZINC000091346558 1125749872 /nfs/dbraw/zinc/74/98/72/1125749872.db2.gz HLIKXUXDHHLWBG-DZGCQCFKSA-N 0 1 294.402 3.770 20 0 CHADMN CC[C@@H](N[C@H](C)c1nc2ccccc2n1C)c1ccncc1 ZINC000091346560 1125750126 /nfs/dbraw/zinc/75/01/26/1125750126.db2.gz HLIKXUXDHHLWBG-UKRRQHHQSA-N 0 1 294.402 3.770 20 0 CHADMN C[C@@H]1CN(CC2CCSCC2)C[C@@H](c2ccsc2)O1 ZINC000638130521 1129244439 /nfs/dbraw/zinc/24/44/39/1129244439.db2.gz GEUZAKAEEDDMHV-DOMZBBRYSA-N 0 1 297.489 3.653 20 0 CHADMN C[C@@H](CN[C@@H](C)c1nccs1)Oc1ccc(Cl)cc1 ZINC000091730762 1125751665 /nfs/dbraw/zinc/75/16/65/1125751665.db2.gz QFOPWPYQKOMVPT-QWRGUYRKSA-N 0 1 296.823 3.915 20 0 CHADMN CC[C@H]1C[C@@H](Nc2ccc(Cl)c(CN(C)C)c2)CCO1 ZINC000648566864 1125757725 /nfs/dbraw/zinc/75/77/25/1125757725.db2.gz JQKKLNZRHHDYHO-GJZGRUSLSA-N 0 1 296.842 3.771 20 0 CHADMN CC[C@H]1C[C@H](Nc2ccc(Cl)c(CN(C)C)c2)CCO1 ZINC000648566863 1125757792 /nfs/dbraw/zinc/75/77/92/1125757792.db2.gz JQKKLNZRHHDYHO-CABCVRRESA-N 0 1 296.842 3.771 20 0 CHADMN C[C@H](c1ccco1)N(Cc1cccc(O)c1)C1CC1 ZINC000092484053 1125758867 /nfs/dbraw/zinc/75/88/67/1125758867.db2.gz JIVJQDCCDPOGCF-GFCCVEGCSA-N 0 1 257.333 3.711 20 0 CHADMN c1ccc2c(c1)[nH]c1c2CCN(CC2CCSCC2)C1 ZINC000638132255 1129244549 /nfs/dbraw/zinc/24/45/49/1129244549.db2.gz VDWFSTTULOOEQK-UHFFFAOYSA-N 0 1 286.444 3.669 20 0 CHADMN Cc1cccnc1CN(Cc1cccs1)C1CC1 ZINC000093158074 1125764387 /nfs/dbraw/zinc/76/43/87/1125764387.db2.gz YMEVUFAJTUIDON-UHFFFAOYSA-N 0 1 258.390 3.616 20 0 CHADMN Cc1cccnc1CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000093157596 1125764931 /nfs/dbraw/zinc/76/49/31/1125764931.db2.gz AAVMHQQUXVLQJC-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN CC(C)[C@H](CN[C@H](C)c1nccs1)Nc1ccccc1 ZINC000093406015 1125768721 /nfs/dbraw/zinc/76/87/21/1125768721.db2.gz BSDBIRARNDQDCH-HIFRSBDPSA-N 0 1 289.448 3.930 20 0 CHADMN Fc1ccc(CN(Cc2cncs2)CC2CC2)cc1 ZINC000093479966 1125769094 /nfs/dbraw/zinc/76/90/94/1125769094.db2.gz AQHKBBBDBDDXIG-UHFFFAOYSA-N 0 1 276.380 3.694 20 0 CHADMN Cc1ccc([C@H]2CCCCCN2Cc2ccc(CO)o2)o1 ZINC000093559105 1125769926 /nfs/dbraw/zinc/76/99/26/1125769926.db2.gz OAQMQOMZZIBXEG-MRXNPFEDSA-N 0 1 289.375 3.791 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)c1cn[nH]c1C(C)C ZINC000622286218 1129244874 /nfs/dbraw/zinc/24/48/74/1129244874.db2.gz WDPLKHWMLDOQBD-UHFFFAOYSA-N 0 1 277.755 3.747 20 0 CHADMN O=C(C[C@@H]1CCCN1Cc1ccco1)c1ccccc1 ZINC000093667643 1125772641 /nfs/dbraw/zinc/77/26/41/1125772641.db2.gz GKTBVEYWLFUWEF-HNNXBMFYSA-N 0 1 269.344 3.517 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2cnccc2Cl)CC1 ZINC001137240761 1125773304 /nfs/dbraw/zinc/77/33/04/1125773304.db2.gz SLUHFFPKTJAFOX-AULYBMBSSA-N 0 1 252.789 3.746 20 0 CHADMN CCCCCN(CCCCC)Cc1nccc(C)n1 ZINC000533776534 1125781554 /nfs/dbraw/zinc/78/15/54/1125781554.db2.gz ZOKSCQAUBXCQIO-UHFFFAOYSA-N 0 1 263.429 3.967 20 0 CHADMN COCc1ccccc1CN[C@H](C)c1cccnc1Cl ZINC000122047102 1125782444 /nfs/dbraw/zinc/78/24/44/1125782444.db2.gz DIVBWKUIEBYSPU-GFCCVEGCSA-N 0 1 290.794 3.732 20 0 CHADMN COc1ccncc1CN[C@@H](C)c1ccc(Cl)cc1 ZINC000287617913 1125783526 /nfs/dbraw/zinc/78/35/26/1125783526.db2.gz FAZCGDRUBBNATA-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN COC[C@@H](N[C@H](C)c1ccnc(Cl)c1)c1ccccc1 ZINC000089668619 1129245841 /nfs/dbraw/zinc/24/58/41/1129245841.db2.gz LTPGYYSYWPTMHB-IUODEOHRSA-N 0 1 290.794 3.773 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CCC[C@H](F)CC1 ZINC001238696158 1131232215 /nfs/dbraw/zinc/23/22/15/1131232215.db2.gz VIZLJQMSWXZIJO-AWEZNQCLSA-N 0 1 283.362 3.937 20 0 CHADMN C[C@H](CCSc1ccccc1)SCc1nnc[nH]1 ZINC001118597445 1131232464 /nfs/dbraw/zinc/23/24/64/1131232464.db2.gz MOEPYCOOVDSEOA-LLVKDONJSA-N 0 1 279.434 3.609 20 0 CHADMN CCO[C@@H]1CCCN(Cc2ccc(F)cc2OC(C)C)C1 ZINC001238697914 1131232676 /nfs/dbraw/zinc/23/26/76/1131232676.db2.gz UTNMMSBSMLSMFP-MRXNPFEDSA-N 0 1 295.398 3.614 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CC[C@](C)(CF)C1 ZINC001238695284 1131232905 /nfs/dbraw/zinc/23/29/05/1131232905.db2.gz OCIQNLZTTOYWQN-MRXNPFEDSA-N 0 1 283.362 3.794 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN(C)C[C@@H]1CCCCO1 ZINC001238701739 1131233806 /nfs/dbraw/zinc/23/38/06/1131233806.db2.gz GZTFHKLVALXEFZ-INIZCTEOSA-N 0 1 295.398 3.614 20 0 CHADMN CCOc1cncc(CN(CC)Cc2ccccc2)c1 ZINC000621709294 1129182668 /nfs/dbraw/zinc/18/26/68/1129182668.db2.gz RESSIZDLNSAIDW-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN CC[C@@H](NC[C@@H](OC)C(F)(F)F)c1ccc(F)cc1F ZINC000738424160 1129394361 /nfs/dbraw/zinc/39/43/61/1129394361.db2.gz JBJPWJFRHLFYTN-VXGBXAGGSA-N 0 1 297.267 3.583 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2nccnc2C)o1 ZINC000621719787 1129185949 /nfs/dbraw/zinc/18/59/49/1129185949.db2.gz WOAXPZGSEJGZFF-MLGOLLRUSA-N 0 1 285.391 3.660 20 0 CHADMN Clc1ccc([C@@H]2CCN2CCC[C@@H]2CCOC2)cc1 ZINC000645811964 1129508071 /nfs/dbraw/zinc/50/80/71/1129508071.db2.gz AQZJEVHWVWFTBX-CJNGLKHVSA-N 0 1 279.811 3.904 20 0 CHADMN CC(C)(C)c1cc(CN2CC[C@@H]3CCCC[C@@H]32)no1 ZINC000645954834 1129514091 /nfs/dbraw/zinc/51/40/91/1129514091.db2.gz LKWPXJYRUHQSJY-JSGCOSHPSA-N 0 1 262.397 3.737 20 0 CHADMN CC(C)n1ccn(CN2CCC3(CCCC3)C2)c1=S ZINC000743391330 1129521460 /nfs/dbraw/zinc/52/14/60/1129521460.db2.gz PVLQSAHENXRMHU-UHFFFAOYSA-N 0 1 279.453 3.824 20 0 CHADMN Cl/C=C\CN1CCC(OCC2CCCCC2)CC1 ZINC000743854318 1129540107 /nfs/dbraw/zinc/54/01/07/1129540107.db2.gz TVTJMHBSRWWBMA-WTKPLQERSA-N 0 1 271.832 3.800 20 0 CHADMN CSc1ncc(C)cc1CN1CCC(F)(F)[C@H](C)C1 ZINC001238710353 1131235114 /nfs/dbraw/zinc/23/51/14/1131235114.db2.gz BVZVQHWRHANSFO-LLVKDONJSA-N 0 1 286.391 3.589 20 0 CHADMN CCc1cc(CN[C@H](CC)c2cccc(Cl)c2)[nH]n1 ZINC000746046857 1129623729 /nfs/dbraw/zinc/62/37/29/1129623729.db2.gz DUEMQIKTGXGUAB-OAHLLOKOSA-N 0 1 277.799 3.866 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNC2(C)CC(F)(F)C2)o1 ZINC000720949037 1129723925 /nfs/dbraw/zinc/72/39/25/1129723925.db2.gz HZFBAOUHMZLLKR-KOLCDFICSA-N 0 1 255.308 3.680 20 0 CHADMN CCC(C)(C)[C@@H]1CCC[N@H+]1CCC(C)(C)CC(=O)[O-] ZINC000652432612 1129764829 /nfs/dbraw/zinc/76/48/29/1129764829.db2.gz SMJSWYDZWHCQII-ZDUSSCGKSA-N 0 1 269.429 3.778 20 0 CHADMN CCC[C@H](CC1CCCC1)C(=O)N(C)Cc1cn[nH]c1C ZINC000636067040 1129198101 /nfs/dbraw/zinc/19/81/01/1129198101.db2.gz LFOWHBQFWZXITB-OAHLLOKOSA-N 0 1 291.439 3.673 20 0 CHADMN O=C(Nc1cc(F)cc(F)c1)c1c(O)cccc1Cl ZINC000769637548 1129918583 /nfs/dbraw/zinc/91/85/83/1129918583.db2.gz JTPIEJOZDUUNAF-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN CCO[C@@H](C)Sc1nc(C)c(-c2ccccc2)[nH]1 ZINC000901539193 1129934560 /nfs/dbraw/zinc/93/45/60/1129934560.db2.gz WQUBCNVENKMYIO-LLVKDONJSA-N 0 1 262.378 3.860 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2C)[nH]1 ZINC000621913702 1129206267 /nfs/dbraw/zinc/20/62/67/1129206267.db2.gz YUKLZIUTPQYWJA-UHFFFAOYSA-N 0 1 297.280 3.606 20 0 CHADMN Cc1ccc(CN2CCC3(CCC3)CC2)nc1Cl ZINC001170076089 1130157777 /nfs/dbraw/zinc/15/77/77/1130157777.db2.gz ZCRSERQIUMEZAL-UHFFFAOYSA-N 0 1 264.800 3.810 20 0 CHADMN Cc1ccc(CN(Cc2cnc(Cl)cn2)C(C)C)s1 ZINC000788479666 1130189319 /nfs/dbraw/zinc/18/93/19/1130189319.db2.gz ZNDKZKIZAFJDCM-UHFFFAOYSA-N 0 1 295.839 3.911 20 0 CHADMN CN(Cc1ccoc1)[C@@H]1CCCc2ccc(F)cc21 ZINC000337980226 1126705848 /nfs/dbraw/zinc/70/58/48/1126705848.db2.gz LYSKAGJFOQHKAO-MRXNPFEDSA-N 0 1 259.324 3.928 20 0 CHADMN CC(C)C[C@@H]1OCCC[C@@H]1NCc1c(F)cccc1F ZINC000481718041 1126708947 /nfs/dbraw/zinc/70/89/47/1126708947.db2.gz PBTRIKXHIDDOTR-HOTGVXAUSA-N 0 1 283.362 3.648 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1cccc(F)c1 ZINC000481752733 1126712311 /nfs/dbraw/zinc/71/23/11/1126712311.db2.gz WKBLSFMAGVNUJI-GXFFZTMASA-N 0 1 275.289 3.989 20 0 CHADMN COc1cc2c(cc1F)CC[C@H]2N[C@H](C)c1cncs1 ZINC000338011056 1126710181 /nfs/dbraw/zinc/71/01/81/1126710181.db2.gz MGJMSTICJNJZIO-NOZJJQNGSA-N 0 1 292.379 3.629 20 0 CHADMN CC(C)CC[C@@H](O)CN(Cc1ccccc1F)C1CC1 ZINC000481728323 1126710238 /nfs/dbraw/zinc/71/02/38/1126710238.db2.gz SIYKHCLGHFUTLX-MRXNPFEDSA-N 0 1 279.399 3.587 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccncc2F)cc1 ZINC000338012905 1126710951 /nfs/dbraw/zinc/71/09/51/1126710951.db2.gz BSFGGGSSZATWGA-OLZOCXBDSA-N 0 1 258.340 3.941 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1nccs1 ZINC000135089439 1126711511 /nfs/dbraw/zinc/71/15/11/1126711511.db2.gz XQPBUUSKANMURQ-LLVKDONJSA-N 0 1 280.824 3.860 20 0 CHADMN CCCOc1ccc(CN(C)Cc2cccnc2)c(C)c1 ZINC000667947975 1126715432 /nfs/dbraw/zinc/71/54/32/1126715432.db2.gz JEUBYHXNVGFAHR-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN Cc1ccncc1CNCc1cc(Br)cs1 ZINC000135461863 1126718657 /nfs/dbraw/zinc/71/86/57/1126718657.db2.gz YGGGMHYQZNNXGR-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN Cc1nc([C@@H](C)SCc2cccc3cccnc32)n[nH]1 ZINC000600590323 1126721628 /nfs/dbraw/zinc/72/16/28/1126721628.db2.gz JDKHFFPREHEJGF-SNVBAGLBSA-N 0 1 284.388 3.656 20 0 CHADMN C1CCC(c2noc([C@@H]3NCC[C@H]4CCCC[C@H]43)n2)C1 ZINC000899997804 1126722034 /nfs/dbraw/zinc/72/20/34/1126722034.db2.gz ISFWOBPQVNKLTL-MRVWCRGKSA-N 0 1 275.396 3.568 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1ncnn1C(C)(C)C ZINC000338278771 1126730020 /nfs/dbraw/zinc/73/00/20/1126730020.db2.gz OOVSHLUJYBDMEA-AWEZNQCLSA-N 0 1 278.444 3.578 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cc2ncnn2C(C)(C)C)CC1 ZINC000338302177 1126732579 /nfs/dbraw/zinc/73/25/79/1126732579.db2.gz BMCHQMKJYOFOLF-CQSZACIVSA-N 0 1 292.471 3.681 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@H](C(C)(C)C)C2)s1 ZINC000338342044 1126736386 /nfs/dbraw/zinc/73/63/86/1126736386.db2.gz FFJMXCYHAWOOLS-JQWIXIFHSA-N 0 1 267.442 3.666 20 0 CHADMN CCOC[C@@H](NCc1csc(-c2ccco2)n1)C(C)C ZINC000348478279 1126736614 /nfs/dbraw/zinc/73/66/14/1126736614.db2.gz MAMNTNNLEHFBOU-CYBMUJFWSA-N 0 1 294.420 3.554 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)nc1 ZINC000338350430 1126737084 /nfs/dbraw/zinc/73/70/84/1126737084.db2.gz PYPYFHZVUOIALM-AWEZNQCLSA-N 0 1 298.352 3.945 20 0 CHADMN COc1c(Br)cccc1CN1CC[C@H](C)[C@H]1C ZINC000481993271 1126738288 /nfs/dbraw/zinc/73/82/88/1126738288.db2.gz NQYYIMQGCVDHIJ-WDEREUQCSA-N 0 1 298.224 3.688 20 0 CHADMN COc1c(Br)cccc1CN1C[C@@H](C)[C@H](C)C1 ZINC000482012417 1126738464 /nfs/dbraw/zinc/73/84/64/1126738464.db2.gz DEENUVSJIFPLGW-GHMZBOCLSA-N 0 1 298.224 3.546 20 0 CHADMN Fc1ccc(SCCN2CC3(C2)CC(F)(F)C3)cc1 ZINC000677736698 1130326528 /nfs/dbraw/zinc/32/65/28/1130326528.db2.gz XGSVOELOTJKTHP-UHFFFAOYSA-N 0 1 287.350 3.649 20 0 CHADMN Cc1cnc([C@H](C)NCCO[C@@H]2CCCC[C@H]2C)s1 ZINC000348498355 1126742332 /nfs/dbraw/zinc/74/23/32/1126742332.db2.gz TUFJWGPETPSHKN-KWCYVHTRSA-N 0 1 282.453 3.697 20 0 CHADMN CN(CCC1CC1)Cc1coc(-c2c(F)cccc2F)n1 ZINC000158596429 1126755444 /nfs/dbraw/zinc/75/54/44/1126755444.db2.gz YWZWJVXWMAECQO-UHFFFAOYSA-N 0 1 292.329 3.852 20 0 CHADMN COc1ccccc1CN1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000482480598 1126759719 /nfs/dbraw/zinc/75/97/19/1126759719.db2.gz BXSNEBPBXKJRGV-AAEUAGOBSA-N 0 1 287.325 3.858 20 0 CHADMN COc1ccsc1CN1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000482505864 1126762273 /nfs/dbraw/zinc/76/22/73/1126762273.db2.gz ILHLKQWQNPNEDT-VHSXEESVSA-N 0 1 293.354 3.920 20 0 CHADMN CC[C@H]1CCCN(CC(=O)Nc2sc(C)c(C)c2C)C1 ZINC000483049257 1126765146 /nfs/dbraw/zinc/76/51/46/1126765146.db2.gz ZQFZXFOVSCSTMO-AWEZNQCLSA-N 0 1 294.464 3.734 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N(CC)Cc1nnc(C)o1 ZINC000173991012 1126765017 /nfs/dbraw/zinc/76/50/17/1126765017.db2.gz UVXQGUZGPWBNAZ-MRXNPFEDSA-N 0 1 287.407 3.530 20 0 CHADMN Cc1cn[nH]c1CSCc1noc2c1CC(C)(C)CC2 ZINC000902438990 1126765378 /nfs/dbraw/zinc/76/53/78/1126765378.db2.gz UFRKCPIVMHTSFP-UHFFFAOYSA-N 0 1 291.420 3.654 20 0 CHADMN Cc1cc(C)cc([C@@H]2CC[N@@H+](CCC(C)(C)C(=O)[O-])C2)c1 ZINC000902436731 1126765425 /nfs/dbraw/zinc/76/54/25/1126765425.db2.gz TZUOBFLOPQEBCI-OAHLLOKOSA-N 0 1 289.419 3.594 20 0 CHADMN OCc1ccc(CN[C@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000174348126 1126768859 /nfs/dbraw/zinc/76/88/59/1126768859.db2.gz OQEDFKBOTIVRCV-KRWDZBQOSA-N 0 1 289.350 3.542 20 0 CHADMN CC[C@@H](NCc1ccc(F)c(F)c1)c1cccc(OC)n1 ZINC000924784062 1126771872 /nfs/dbraw/zinc/77/18/72/1126771872.db2.gz SBYYJNWWHLTKBH-CQSZACIVSA-N 0 1 292.329 3.609 20 0 CHADMN CC(C)[C@H]1N(Cc2nccn2C(C)C)CC12CCCC2 ZINC000668228109 1126775191 /nfs/dbraw/zinc/77/51/91/1126775191.db2.gz ACDQBUPCXMRUAO-MRXNPFEDSA-N 0 1 275.440 3.865 20 0 CHADMN CCCCN(CCOC)Cc1ccsc1Cl ZINC000483294026 1126779441 /nfs/dbraw/zinc/77/94/41/1126779441.db2.gz HFKIPBZAGYMMBP-UHFFFAOYSA-N 0 1 261.818 3.650 20 0 CHADMN O=C(C[N@@H+](CC1CC1)CC1CCC1)c1c[nH]c2ccccc12 ZINC000483264421 1126776455 /nfs/dbraw/zinc/77/64/55/1126776455.db2.gz QOASYTBLIUUNGX-UHFFFAOYSA-N 0 1 296.414 3.863 20 0 CHADMN CC[C@H](C[N@@H+]([C@H](C)C(=O)OC)C1CCC1)c1ccccc1 ZINC000483430940 1126785381 /nfs/dbraw/zinc/78/53/81/1126785381.db2.gz YVGIJLSQUJGPIU-HUUCEWRRSA-N 0 1 289.419 3.596 20 0 CHADMN CC[C@H](CN([C@H](C)C(=O)OC)C1CCC1)c1ccccc1 ZINC000483430940 1126785383 /nfs/dbraw/zinc/78/53/83/1126785383.db2.gz YVGIJLSQUJGPIU-HUUCEWRRSA-N 0 1 289.419 3.596 20 0 CHADMN CCCC1(c2noc(-c3cc4cccnc4[nH]3)n2)CCC1 ZINC000568237326 1126787705 /nfs/dbraw/zinc/78/77/05/1126787705.db2.gz XWLMBJNXKNLSQI-UHFFFAOYSA-N 0 1 282.347 3.835 20 0 CHADMN Cc1nc2c(s1)[C@@H](NCc1ccc(Cl)o1)CCC2 ZINC000678997050 1130481965 /nfs/dbraw/zinc/48/19/65/1130481965.db2.gz FDZCZKZJOUZDEM-JTQLQIEISA-N 0 1 282.796 3.865 20 0 CHADMN C[C@H](NCc1cnn(CC(F)F)c1)c1ccc(Cl)cc1 ZINC000292968666 1129210724 /nfs/dbraw/zinc/21/07/24/1129210724.db2.gz KXMNSHNPFVCJBG-JTQLQIEISA-N 0 1 299.752 3.652 20 0 CHADMN CCn1c2ccccc2nc1[C@@H]1CCCN1CCSC ZINC000176924579 1126795466 /nfs/dbraw/zinc/79/54/66/1126795466.db2.gz SYRNXENYEFNNCS-HNNXBMFYSA-N 0 1 289.448 3.556 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1ccc(Br)cn1 ZINC000163219815 1126800961 /nfs/dbraw/zinc/80/09/61/1126800961.db2.gz JDEQPYCWRQZJLH-MFKMUULPSA-N 0 1 283.213 3.607 20 0 CHADMN C[C@H](CCC(F)(F)F)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000483654401 1126796518 /nfs/dbraw/zinc/79/65/18/1126796518.db2.gz BQWJYZUECNWUHX-RKDXNWHRSA-N 0 1 293.333 3.749 20 0 CHADMN CO[C@@H]1CCCC[C@@H]1NCc1c(F)cccc1Cl ZINC000483704009 1126797614 /nfs/dbraw/zinc/79/76/14/1126797614.db2.gz YWGZOVWPRKQBRM-UONOGXRCSA-N 0 1 271.763 3.526 20 0 CHADMN CO[C@H]1CCCC[C@H]1NCc1c(F)cccc1Cl ZINC000483704006 1126797656 /nfs/dbraw/zinc/79/76/56/1126797656.db2.gz YWGZOVWPRKQBRM-KGLIPLIRSA-N 0 1 271.763 3.526 20 0 CHADMN CCCC[C@H](COC)N[C@H](C)c1c(F)cccc1OC ZINC000483730074 1126798507 /nfs/dbraw/zinc/79/85/07/1126798507.db2.gz PONUDMOWBKUIBO-CHWSQXEVSA-N 0 1 283.387 3.690 20 0 CHADMN Cc1cccnc1[C@@H](N[C@@H](C)c1ccccn1)C(C)C ZINC000177184519 1126798837 /nfs/dbraw/zinc/79/88/37/1126798837.db2.gz HXZOLOVBPQXQOV-HOCLYGCPSA-N 0 1 269.392 3.833 20 0 CHADMN Cc1cccnc1[C@H](N[C@@H](C)c1ccccn1)C(C)C ZINC000177184506 1126798886 /nfs/dbraw/zinc/79/88/86/1126798886.db2.gz HXZOLOVBPQXQOV-GOEBONIOSA-N 0 1 269.392 3.833 20 0 CHADMN Clc1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)cn1 ZINC000177183503 1126798932 /nfs/dbraw/zinc/79/89/32/1126798932.db2.gz KJPFWIRXLJFUIM-QWHCGFSZSA-N 0 1 282.840 3.595 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(Cl)nc2)c(C)o1 ZINC000177573476 1126802363 /nfs/dbraw/zinc/80/23/63/1126802363.db2.gz FTJBMZLQMGHDOZ-JTQLQIEISA-N 0 1 264.756 3.796 20 0 CHADMN COc1cccc([C@@H](C)NCc2nc3ccc(C)cc3[nH]2)c1 ZINC000483852713 1126804231 /nfs/dbraw/zinc/80/42/31/1126804231.db2.gz MQTWQJRYRDMVCP-CYBMUJFWSA-N 0 1 295.386 3.731 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnn(C)c1C)c1ccc(F)cc1F ZINC000177960883 1126808024 /nfs/dbraw/zinc/80/80/24/1126808024.db2.gz SFZDDJQKKPIILM-QFYYESIMSA-N 0 1 293.361 3.809 20 0 CHADMN CC[C@@H](NCc1cn2c(cccc2C)n1)c1ccccc1 ZINC000178057220 1126808701 /nfs/dbraw/zinc/80/87/01/1126808701.db2.gz MVDGFLSHPFOBML-QGZVFWFLSA-N 0 1 279.387 3.884 20 0 CHADMN C[C@@H]1CCN(Cc2cc(F)ccc2C(F)(F)F)C1 ZINC001138087437 1130546036 /nfs/dbraw/zinc/54/60/36/1130546036.db2.gz CWVPPDIULFWSIB-SECBINFHSA-N 0 1 261.262 3.686 20 0 CHADMN CSc1cc(C)ccc1CN[C@@H](C)c1cn(C)nc1C ZINC000178442514 1126813805 /nfs/dbraw/zinc/81/38/05/1126813805.db2.gz URRTXZXMPMJSPK-LBPRGKRZSA-N 0 1 289.448 3.610 20 0 CHADMN CCC1CCC(CNC(=O)c2c(C)n[nH]c2C(C)C)CC1 ZINC000484350165 1126814707 /nfs/dbraw/zinc/81/47/07/1126814707.db2.gz MAQLKRGMHFYBNO-UHFFFAOYSA-N 0 1 291.439 3.788 20 0 CHADMN CCN(Cc1nc(C(F)(F)F)cs1)CC(C)C ZINC000178591045 1126817327 /nfs/dbraw/zinc/81/73/27/1126817327.db2.gz YARNHGLDGIZGGP-UHFFFAOYSA-N 0 1 266.332 3.640 20 0 CHADMN Cc1cscc1-c1noc(CN(C)CC(C)(C)C)n1 ZINC000904054095 1126825356 /nfs/dbraw/zinc/82/53/56/1126825356.db2.gz AIILBICXUJRIEH-UHFFFAOYSA-N 0 1 279.409 3.584 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(-c2cccc3[nH]ccc32)no1 ZINC000904087675 1126827669 /nfs/dbraw/zinc/82/76/69/1126827669.db2.gz AHMPMSGWBFAUDJ-AWEZNQCLSA-N 0 1 284.363 3.525 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(C(C)(C)c2ccccc2)no1 ZINC000904110261 1126829339 /nfs/dbraw/zinc/82/93/39/1126829339.db2.gz QQAFNCUJINJDND-AWEZNQCLSA-N 0 1 287.407 3.702 20 0 CHADMN CN[C@@H](CC(C)C)c1nc([C@H](C)c2cccs2)no1 ZINC000904094324 1126830125 /nfs/dbraw/zinc/83/01/25/1126830125.db2.gz MFPIOTGGMWELPJ-MNOVXSKESA-N 0 1 279.409 3.590 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1cnccn1)CCC2 ZINC000179526055 1126830134 /nfs/dbraw/zinc/83/01/34/1126830134.db2.gz DQVRXDMJWLSPFZ-XJKSGUPXSA-N 0 1 267.376 3.513 20 0 CHADMN O=C(CC1CCC1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179852373 1126836216 /nfs/dbraw/zinc/83/62/16/1126836216.db2.gz WLYYEDOHNBQBMR-UHFFFAOYSA-N 0 1 279.290 3.629 20 0 CHADMN CC[C@H](NCc1ncc(C)o1)C(C)(C)c1ccccc1 ZINC000180008135 1126837747 /nfs/dbraw/zinc/83/77/47/1126837747.db2.gz FLKOCUWMLUCXRG-HNNXBMFYSA-N 0 1 272.392 3.829 20 0 CHADMN Cc1cc(CN(Cc2ccccn2)C2CC2)c(C)s1 ZINC000180863052 1126849604 /nfs/dbraw/zinc/84/96/04/1126849604.db2.gz QFLISLZNLMBKRP-UHFFFAOYSA-N 0 1 272.417 3.925 20 0 CHADMN Clc1ccc2c(c1)OCCC[C@@H]2NCc1cncs1 ZINC000180970586 1126850239 /nfs/dbraw/zinc/85/02/39/1126850239.db2.gz PBUMVSYJEABURZ-ZDUSSCGKSA-N 0 1 294.807 3.800 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000904399801 1126851828 /nfs/dbraw/zinc/85/18/28/1126851828.db2.gz BUODLDQDSUNFMZ-WMLDXEAASA-N 0 1 281.440 3.780 20 0 CHADMN CC[C@@H](C[N@H+]1CCC[C@@](CC)(C(=O)[O-])C1)c1ccccc1 ZINC000904401126 1126851892 /nfs/dbraw/zinc/85/18/92/1126851892.db2.gz NDEHKORAPJNCDJ-MAUKXSAKSA-N 0 1 289.419 3.757 20 0 CHADMN CC(C)[C@H](N)c1noc([C@H](C)Sc2ccc(F)cc2)n1 ZINC000904500122 1126854314 /nfs/dbraw/zinc/85/43/14/1126854314.db2.gz NWCYTRHRYRFLOJ-CABZTGNLSA-N 0 1 295.383 3.718 20 0 CHADMN Cc1ccc(F)c2oc(-c3nc([C@@H](N)C(C)C)no3)cc21 ZINC000904500631 1126854541 /nfs/dbraw/zinc/85/45/41/1126854541.db2.gz NPPCYZULHVMRHK-LBPRGKRZSA-N 0 1 289.310 3.586 20 0 CHADMN COC(=O)c1cc(CN[C@@H](C)c2ccccc2)c(C)s1 ZINC000181377517 1126854783 /nfs/dbraw/zinc/85/47/83/1126854783.db2.gz JBQPZLPBLQDYPS-NSHDSACASA-N 0 1 289.400 3.694 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000181549529 1126857583 /nfs/dbraw/zinc/85/75/83/1126857583.db2.gz LPHJBAIOMCIKNF-AWEZNQCLSA-N 0 1 295.810 3.602 20 0 CHADMN Cc1ccccc1-c1noc(-c2cc3cccnc3[nH]2)n1 ZINC000904564353 1126859028 /nfs/dbraw/zinc/85/90/28/1126859028.db2.gz JREDWXOMLSJVBU-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN CCCOc1cccc(CN(C)Cc2cccnc2)c1 ZINC000182032914 1126864379 /nfs/dbraw/zinc/86/43/79/1126864379.db2.gz CSAMLJBTOOBQEK-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN CCN(C(=O)c1cccc2n[nH]cc21)[C@H]1CCCC[C@@H]1C ZINC000066674868 1126862946 /nfs/dbraw/zinc/86/29/46/1126862946.db2.gz ORTZXNLFDFYCKG-LRDDRELGSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc(Cl)n2)cc1 ZINC000182323852 1126870171 /nfs/dbraw/zinc/87/01/71/1126870171.db2.gz PRZWLEHJSUODRV-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1ccc(-c2cnc([C@H]3CCCCN3)nc2)c(C)c1 ZINC000904857364 1126876962 /nfs/dbraw/zinc/87/69/62/1126876962.db2.gz PTCZGPMLYDDJGD-MRXNPFEDSA-N 0 1 267.376 3.575 20 0 CHADMN Cc1cc(N[C@H]2CCCOCC2)c2cc(F)ccc2n1 ZINC000182985561 1126880656 /nfs/dbraw/zinc/88/06/56/1126880656.db2.gz NQHUBQZHQMDZRR-ZDUSSCGKSA-N 0 1 274.339 3.663 20 0 CHADMN Cc1ccc(CN(C)[C@@H](C)c2ccccn2)cc1F ZINC000183673875 1126891099 /nfs/dbraw/zinc/89/10/99/1126891099.db2.gz GSOYRSPSSDLRRX-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN C[C@H](C[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1)CC(C)(C)C ZINC000905373484 1126899281 /nfs/dbraw/zinc/89/92/81/1126899281.db2.gz QPMCETZIPHUWFP-ZFWWWQNUSA-N 0 1 277.408 3.816 20 0 CHADMN C[N@@H+](CC[C@@H]1CCCC1(F)F)[C@H](C(=O)[O-])c1ccccc1 ZINC000905372777 1126899695 /nfs/dbraw/zinc/89/96/95/1126899695.db2.gz JWYMDMHGDJVWHC-KBPBESRZSA-N 0 1 297.345 3.570 20 0 CHADMN CCc1ccc(CC[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000905370523 1126899887 /nfs/dbraw/zinc/89/98/87/1126899887.db2.gz UGWLFTLBSNDQSY-SFHVURJKSA-N 0 1 297.398 3.549 20 0 CHADMN CCCOc1ccc(CN2CC3(C2)CCCC3)cc1OC ZINC000485307174 1126901236 /nfs/dbraw/zinc/90/12/36/1126901236.db2.gz WFEURMAHCOPLAI-UHFFFAOYSA-N 0 1 289.419 3.860 20 0 CHADMN COCC1=CCN(Cc2ccc(SC(F)F)cc2)CC1 ZINC000185809079 1126903315 /nfs/dbraw/zinc/90/33/15/1126903315.db2.gz LAVONTJWGZPRGK-UHFFFAOYSA-N 0 1 299.386 3.780 20 0 CHADMN COCC1=CCN([C@H](C)c2cccc(Cl)c2)CC1 ZINC000185870624 1126904059 /nfs/dbraw/zinc/90/40/59/1126904059.db2.gz JQXFGHJUPQAOBR-GFCCVEGCSA-N 0 1 265.784 3.680 20 0 CHADMN Cc1ccc2cc(CN3CCO[C@@](C)(C4CC4)C3)ccc2n1 ZINC000668462666 1126905492 /nfs/dbraw/zinc/90/54/92/1126905492.db2.gz GLBZRSAKWIHLOE-LJQANCHMSA-N 0 1 296.414 3.544 20 0 CHADMN CCCN(C)Cc1ccc(F)c(F)c1OC(C)C ZINC001238740234 1131238469 /nfs/dbraw/zinc/23/84/69/1131238469.db2.gz CPSUIVNJYKEQDI-UHFFFAOYSA-N 0 1 257.324 3.594 20 0 CHADMN COC[C@@H](C)Sc1nc(C)c(-c2ccccc2)[nH]1 ZINC000187116471 1126908807 /nfs/dbraw/zinc/90/88/07/1126908807.db2.gz AGOWKHCVZKEZEP-SNVBAGLBSA-N 0 1 262.378 3.512 20 0 CHADMN COCCC1CN(Cc2ccc(-c3ccccc3F)o2)C1 ZINC000668473154 1126910215 /nfs/dbraw/zinc/91/02/15/1126910215.db2.gz YSHMZYCHMWPUNY-UHFFFAOYSA-N 0 1 289.350 3.554 20 0 CHADMN COc1ccc(F)cc1CN[C@H]1CCc2cc(F)ccc21 ZINC000187593436 1126912133 /nfs/dbraw/zinc/91/21/33/1126912133.db2.gz JXOCHMWQASDNGI-INIZCTEOSA-N 0 1 289.325 3.751 20 0 CHADMN CCN(Cc1csc(C)n1)[C@H](C)Cc1ccsc1 ZINC000187787208 1126915160 /nfs/dbraw/zinc/91/51/60/1126915160.db2.gz CGEAZAKMAYHALE-LLVKDONJSA-N 0 1 280.462 3.966 20 0 CHADMN CC[C@@H]1CCN(Cc2ccc(F)c(F)c2OC(C)C)C1 ZINC001238742664 1131238764 /nfs/dbraw/zinc/23/87/64/1131238764.db2.gz QJVWQGGILWJVBW-GFCCVEGCSA-N 0 1 283.362 3.984 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H]1CC(C)(C)c2ccccc21 ZINC000188249827 1126921546 /nfs/dbraw/zinc/92/15/46/1126921546.db2.gz VHSADWMBHVNARY-CJNGLKHVSA-N 0 1 281.403 3.858 20 0 CHADMN CC[C@@H]1C[C@@H](Nc2nccc(C)c2C2CC2)CCO1 ZINC000668512357 1126925134 /nfs/dbraw/zinc/92/51/34/1126925134.db2.gz QOYPUKBBMHBXIT-UONOGXRCSA-N 0 1 260.381 3.637 20 0 CHADMN CO[C@H]1C[C@H]2C[C@H](Nc3nccc(C)c3C3CC3)C[C@H]2C1 ZINC000668513033 1126924554 /nfs/dbraw/zinc/92/45/54/1126924554.db2.gz VTBRDMVPCSGSFF-PLAPLOCASA-N 0 1 286.419 3.883 20 0 CHADMN CCCC(C)(C)CC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000485549776 1126924785 /nfs/dbraw/zinc/92/47/85/1126924785.db2.gz KVPWGRSYHSLNIA-UHFFFAOYSA-N 0 1 286.379 3.627 20 0 CHADMN CCC(C)(C)N(C)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000782153970 1130757052 /nfs/dbraw/zinc/75/70/52/1130757052.db2.gz PHSVOXRSUHUGPG-UHFFFAOYSA-N 0 1 297.752 3.713 20 0 CHADMN Cc1cncc(CN(Cc2ccccc2)C2CC2)c1 ZINC000189760828 1126935395 /nfs/dbraw/zinc/93/53/95/1126935395.db2.gz BBXQBUIWYJWFLW-UHFFFAOYSA-N 0 1 252.361 3.555 20 0 CHADMN Cc1cncc(CN2C[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000189915305 1126936293 /nfs/dbraw/zinc/93/62/93/1126936293.db2.gz KMOOTSJDDBUUBQ-WMLDXEAASA-N 0 1 252.361 3.583 20 0 CHADMN Cc1ccc(C)c(-c2cnc([C@H]3CCCCN3)nc2)c1 ZINC000906164986 1126932770 /nfs/dbraw/zinc/93/27/70/1126932770.db2.gz OQIYFRJDALBWEL-MRXNPFEDSA-N 0 1 267.376 3.575 20 0 CHADMN CC(C)Oc1ccc(-c2cnc([C@H]3CCCCN3)nc2)cc1 ZINC000906170701 1126933801 /nfs/dbraw/zinc/93/38/01/1126933801.db2.gz IDIYPGAUQZMVTO-QGZVFWFLSA-N 0 1 297.402 3.745 20 0 CHADMN Cc1cncc(C[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000189754783 1126934244 /nfs/dbraw/zinc/93/42/44/1126934244.db2.gz JDHDGHWFDHBHSE-CQSZACIVSA-N 0 1 258.390 3.789 20 0 CHADMN CC[C@@H](C)CC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000189813160 1126934995 /nfs/dbraw/zinc/93/49/95/1126934995.db2.gz XNHWUBBMONSHIH-MRVPVSSYSA-N 0 1 281.306 3.875 20 0 CHADMN Cc1cc(F)ccc1CN[C@H]1CCOc2c(F)cccc21 ZINC000191121842 1126948055 /nfs/dbraw/zinc/94/80/55/1126948055.db2.gz OIVWAWOWARTOMA-INIZCTEOSA-N 0 1 289.325 3.887 20 0 CHADMN COCC1(C)CCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC000485737423 1126949113 /nfs/dbraw/zinc/94/91/13/1126949113.db2.gz YIXFUVDHVBFDKF-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN C[C@@H](NCc1ccc(OCC2CC2)cc1)c1ccccn1 ZINC000190674653 1126943672 /nfs/dbraw/zinc/94/36/72/1126943672.db2.gz MPKNITWTVOFORP-CQSZACIVSA-N 0 1 282.387 3.721 20 0 CHADMN COc1nccc(CN2CCC(C(C)C)CC2)c1Cl ZINC001235839342 1130785260 /nfs/dbraw/zinc/78/52/60/1130785260.db2.gz LKULFVPDVOCSQA-UHFFFAOYSA-N 0 1 282.815 3.612 20 0 CHADMN C[C@H]1c2cccn2CCN1CCCc1cccc(F)c1 ZINC000485715807 1126945846 /nfs/dbraw/zinc/94/58/46/1126945846.db2.gz KEUNQBKXMLNRLP-AWEZNQCLSA-N 0 1 272.367 3.637 20 0 CHADMN Cc1cccc(C)c1[C@@H]1CCCN1Cc1cn(C2CC2)nn1 ZINC000906313848 1126946608 /nfs/dbraw/zinc/94/66/08/1126946608.db2.gz SCAJVXYNKNRWCO-KRWDZBQOSA-N 0 1 296.418 3.567 20 0 CHADMN CCc1noc([C@H](C)N[C@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000191359356 1126951229 /nfs/dbraw/zinc/95/12/29/1126951229.db2.gz QZSYOSXGMCGYFX-IMJJTQAJSA-N 0 1 299.418 3.694 20 0 CHADMN CC(C)(CNCc1cocn1)c1cccc(C(F)(F)F)c1 ZINC000192304750 1126960318 /nfs/dbraw/zinc/96/03/18/1126960318.db2.gz BJLOYIHCPNWRJB-UHFFFAOYSA-N 0 1 298.308 3.761 20 0 CHADMN CCN(CC)c1ccc(CN[C@H]2CCCc3occc32)cn1 ZINC000192706524 1126962895 /nfs/dbraw/zinc/96/28/95/1126962895.db2.gz CUFRQUBALZUDLB-INIZCTEOSA-N 0 1 299.418 3.688 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnn1C)c1ccc(F)c(Cl)c1 ZINC000192727419 1126964123 /nfs/dbraw/zinc/96/41/23/1126964123.db2.gz BKHSQVXBJXWPDL-ZJUUUORDSA-N 0 1 281.762 3.624 20 0 CHADMN CCCOc1ccc(CNCc2cc(Cl)cs2)cn1 ZINC000193095035 1126966670 /nfs/dbraw/zinc/96/66/70/1126966670.db2.gz NFECAVVFSJWJOI-UHFFFAOYSA-N 0 1 296.823 3.875 20 0 CHADMN CCSc1cccc(NC(=O)c2cn[nH]c2C(C)C)c1 ZINC000193584063 1126969392 /nfs/dbraw/zinc/96/93/92/1126969392.db2.gz VHZCAOAWQJUHKX-UHFFFAOYSA-N 0 1 289.404 3.897 20 0 CHADMN FCC[C@@H]1CCCN(Cc2cscc2Cl)C1 ZINC000668593518 1126973607 /nfs/dbraw/zinc/97/36/07/1126973607.db2.gz ZYZQVGFUXPBHES-JTQLQIEISA-N 0 1 261.793 3.973 20 0 CHADMN COc1cc(CN(C)Cc2ccc(Cl)nc2)ccc1C ZINC000193665620 1126970499 /nfs/dbraw/zinc/97/04/99/1126970499.db2.gz AVDVQHYFQFJGAU-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)C1(C2CC2)CCC1 ZINC000907143603 1126973167 /nfs/dbraw/zinc/97/31/67/1126973167.db2.gz BCCLMZTVLUDPLA-UHFFFAOYSA-N 0 1 265.740 3.564 20 0 CHADMN CC[C@H]1CN(Cc2cnc(-c3ccco3)s2)CCS1 ZINC000194404536 1126974624 /nfs/dbraw/zinc/97/46/24/1126974624.db2.gz PBHIABCHLPCRNX-NSHDSACASA-N 0 1 294.445 3.731 20 0 CHADMN CC(C)[C@H]1CCC[C@H](N[C@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000195024423 1126977939 /nfs/dbraw/zinc/97/79/39/1126977939.db2.gz NVUBKPFVJNKJDG-XIRDDKMYSA-N 0 1 298.434 3.699 20 0 CHADMN Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)Cc1c[nH]cn1 ZINC000908116078 1126990570 /nfs/dbraw/zinc/99/05/70/1126990570.db2.gz WMUAOMBFYLEGCE-OAHLLOKOSA-N 0 1 299.418 3.506 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccccc2OC)c1C ZINC000658355332 1126993510 /nfs/dbraw/zinc/99/35/10/1126993510.db2.gz YVLSFSUWNOGQCV-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN Cc1nc(CN(CC2CCCCC2)C2CC2)c(C)o1 ZINC000659848580 1126994364 /nfs/dbraw/zinc/99/43/64/1126994364.db2.gz KLLHEPGFMACQEV-UHFFFAOYSA-N 0 1 262.397 3.836 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267464552 1127000480 /nfs/dbraw/zinc/00/04/80/1127000480.db2.gz WAAMNAGYWBGQJK-VXGBXAGGSA-N 0 1 291.345 3.629 20 0 CHADMN CCOc1c(Cl)cc(CN2CC[C@H]3C[C@H]3C2)cc1OC ZINC000668675941 1127000125 /nfs/dbraw/zinc/00/01/25/1127000125.db2.gz JYQOGXWWSZLEMH-STQMWFEESA-N 0 1 295.810 3.589 20 0 CHADMN Cc1cc(Br)c(CN2CC[C@H]3C[C@H]3C2)s1 ZINC000668678598 1127000899 /nfs/dbraw/zinc/00/08/99/1127000899.db2.gz MMQZNQKGKWFFJS-UWVGGRQHSA-N 0 1 286.238 3.661 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1nc(CC(C)C)no1 ZINC000486787722 1127001335 /nfs/dbraw/zinc/00/13/35/1127001335.db2.gz MNYQCZMSDSAKSF-CQSZACIVSA-N 0 1 279.428 3.813 20 0 CHADMN Cn1cncc1CN(Cc1cccc(F)c1)C1CCCC1 ZINC000267600996 1127003020 /nfs/dbraw/zinc/00/30/20/1127003020.db2.gz LRUIQPBTTOWRAH-UHFFFAOYSA-N 0 1 287.382 3.504 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1cn2ccsc2n1 ZINC000486810857 1127003606 /nfs/dbraw/zinc/00/36/06/1127003606.db2.gz SCPJNPKZDHIOIY-CQSZACIVSA-N 0 1 277.437 3.941 20 0 CHADMN C[C@H]1CN(Cc2ccc(Cl)nc2)CC(C)(C)C1 ZINC000784348160 1130899614 /nfs/dbraw/zinc/89/96/14/1130899614.db2.gz HDMXTKIWKAOTDX-LLVKDONJSA-N 0 1 252.789 3.603 20 0 CHADMN O[C@@H](CN(C/C=C\Cl)Cc1ccccc1)c1ccco1 ZINC000267744095 1127005673 /nfs/dbraw/zinc/00/56/73/1127005673.db2.gz GGZGXHDSLRUMLB-ZHMISCPASA-N 0 1 291.778 3.568 20 0 CHADMN COc1cccc(CNCc2ccc(F)c(C)c2)c1F ZINC000192663330 1127006989 /nfs/dbraw/zinc/00/69/89/1127006989.db2.gz MQUTVGDWLJCDAU-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN CC[C@@H]1CCC[C@H](NC(=O)c2sccc2CN(C)C)C1 ZINC000268098342 1127011174 /nfs/dbraw/zinc/01/11/74/1127011174.db2.gz KHJNBIZDCDIXMM-OCCSQVGLSA-N 0 1 294.464 3.508 20 0 CHADMN COc1c2ccccc2oc1CNC/C=C/c1ccncc1 ZINC000487151304 1127019554 /nfs/dbraw/zinc/01/95/54/1127019554.db2.gz CSLXOYROHBZUBJ-SNAWJCMRSA-N 0 1 294.354 3.639 20 0 CHADMN c1n[nH]c2c1CCC[C@@H]2Nc1nc2ccccc2s1 ZINC000268796091 1127024506 /nfs/dbraw/zinc/02/45/06/1127024506.db2.gz BTYDMTFEQMRKSH-NSHDSACASA-N 0 1 270.361 3.509 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2cc(Cl)cs2)n[nH]1 ZINC000487159755 1127019948 /nfs/dbraw/zinc/01/99/48/1127019948.db2.gz NQUAOQVUDDFALF-BDAKNGLRSA-N 0 1 298.843 3.884 20 0 CHADMN COc1cccc([C@H](C)N[C@H](C)c2cnc(C)nc2C)c1 ZINC000268826335 1127025356 /nfs/dbraw/zinc/02/53/56/1127025356.db2.gz ZDXNBVLGERKAOO-NWDGAFQWSA-N 0 1 285.391 3.514 20 0 CHADMN CC[C@@H](NCc1cccc(CO)c1)c1cc(F)ccc1F ZINC000268843387 1127025983 /nfs/dbraw/zinc/02/59/83/1127025983.db2.gz DBWQXYNWTUAMBZ-QGZVFWFLSA-N 0 1 291.341 3.698 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2CCc3c2cccc3F)c(C)n1 ZINC000268858663 1127026637 /nfs/dbraw/zinc/02/66/37/1127026637.db2.gz BLNNGHLFOQMOJR-PIGZYNQJSA-N 0 1 285.366 3.571 20 0 CHADMN CC(C)c1ccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000268932692 1127028853 /nfs/dbraw/zinc/02/88/53/1127028853.db2.gz ZXKTZBKXYVJFHJ-OAHLLOKOSA-N 0 1 298.390 3.732 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(Cl)s1 ZINC000269132474 1127035399 /nfs/dbraw/zinc/03/53/99/1127035399.db2.gz ZVBAPHUEVVJDSU-FMSQNYNMSA-N 0 1 293.819 3.710 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1ccccc1Cl ZINC000269064751 1127034916 /nfs/dbraw/zinc/03/49/16/1127034916.db2.gz LBQIKTFXHOLFHG-YMRXKLBXSA-N 0 1 287.790 3.649 20 0 CHADMN Clc1csc(CNc2cnccc2-n2cccn2)c1 ZINC000487556755 1127035153 /nfs/dbraw/zinc/03/51/53/1127035153.db2.gz IGMFUCWCQPODTC-UHFFFAOYSA-N 0 1 290.779 3.594 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1ccc(Cl)s1 ZINC000269132487 1127035489 /nfs/dbraw/zinc/03/54/89/1127035489.db2.gz ZVBAPHUEVVJDSU-UAKXVISKSA-N 0 1 293.819 3.710 20 0 CHADMN Cc1sc(CNC/C=C\c2ccncc2)nc1C(C)C ZINC000487304673 1127031224 /nfs/dbraw/zinc/03/12/24/1127031224.db2.gz DPXCPRNTJOHRJE-PLNGDYQASA-N 0 1 287.432 3.773 20 0 CHADMN C[C@H](N[C@@H](CCCO)c1ccccc1)c1ccccc1F ZINC000269000141 1127031514 /nfs/dbraw/zinc/03/15/14/1127031514.db2.gz OXCRCPXQIDWASR-KSSFIOAISA-N 0 1 287.378 3.990 20 0 CHADMN CC=C(C)C(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1 ZINC000909717020 1127035528 /nfs/dbraw/zinc/03/55/28/1127035528.db2.gz WCDMTJSPSVQUKH-KMKOMSMNSA-N 0 1 299.349 3.998 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H](C)Oc2cccc(F)c2)cs1 ZINC000269430699 1127039431 /nfs/dbraw/zinc/03/94/31/1127039431.db2.gz PNFBRDHBLZNMIM-WDEREUQCSA-N 0 1 294.395 3.709 20 0 CHADMN COc1ccccc1[C@H](NC[C@H](C)C1CC1)c1ccccn1 ZINC000924828215 1127044049 /nfs/dbraw/zinc/04/40/49/1127044049.db2.gz NDGTWAHUVCIUCZ-LIRRHRJNSA-N 0 1 296.414 3.815 20 0 CHADMN COc1ncccc1CN(C)[C@H](c1ccccc1)C(C)C ZINC000487869432 1127045462 /nfs/dbraw/zinc/04/54/62/1127045462.db2.gz HEZGUZJIDHUBJN-KRWDZBQOSA-N 0 1 284.403 3.919 20 0 CHADMN CC1=CCN(Cc2ccc(SC(=O)N(C)C)cc2)CC1 ZINC000270108016 1127049861 /nfs/dbraw/zinc/04/98/61/1127049861.db2.gz CTZNWHRTPPKZAC-UHFFFAOYSA-N 0 1 290.432 3.612 20 0 CHADMN CC[C@H](C)CN1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000487963711 1127050276 /nfs/dbraw/zinc/05/02/76/1127050276.db2.gz MQZJOQUEKMTEQC-AWEZNQCLSA-N 0 1 283.419 3.585 20 0 CHADMN Cc1nc(C)c(CN[C@@H](C)c2ccc(Cl)nc2)s1 ZINC000270528318 1127057627 /nfs/dbraw/zinc/05/76/27/1127057627.db2.gz UAZQEMNSZPNVEK-QMMMGPOBSA-N 0 1 281.812 3.659 20 0 CHADMN Cc1cccn2cc(CN(C)[C@H]3CCc4ccccc43)nc12 ZINC000042635177 1127060675 /nfs/dbraw/zinc/06/06/75/1127060675.db2.gz YMLKFSRMSKSUJX-SFHVURJKSA-N 0 1 291.398 3.762 20 0 CHADMN C[C@@H]1CSCCN(Cc2ccc(Cl)cc2F)C1 ZINC000488174359 1127060995 /nfs/dbraw/zinc/06/09/95/1127060995.db2.gz HAPQCXGQKYZOFQ-JTQLQIEISA-N 0 1 273.804 3.664 20 0 CHADMN Cc1ccoc1CN1CCC(C(=O)c2ccccc2)CC1 ZINC000271019814 1127064815 /nfs/dbraw/zinc/06/48/15/1127064815.db2.gz AKPBUMJBAUMMGN-UHFFFAOYSA-N 0 1 283.371 3.683 20 0 CHADMN CC(C)c1nc(CSC[C@@H](C)c2ccccc2)n[nH]1 ZINC000488263195 1127066458 /nfs/dbraw/zinc/06/64/58/1127066458.db2.gz LKMMMVWUNCAYPK-GFCCVEGCSA-N 0 1 275.421 3.965 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cncs2)c(C)c1 ZINC000271060446 1127067311 /nfs/dbraw/zinc/06/73/11/1127067311.db2.gz WSPMCJDNXHTUSX-CYBMUJFWSA-N 0 1 260.406 3.953 20 0 CHADMN Cc1ccc(SCCN[C@H](C)c2cscn2)cc1 ZINC000271113260 1127068019 /nfs/dbraw/zinc/06/80/19/1127068019.db2.gz HSPPDCOEWBTFLA-GFCCVEGCSA-N 0 1 278.446 3.894 20 0 CHADMN Cc1ncsc1CN1CCC[C@H]1c1cccc(F)c1 ZINC000271091333 1127068113 /nfs/dbraw/zinc/06/81/13/1127068113.db2.gz WPSDQMFUFUWTRM-AWEZNQCLSA-N 0 1 276.380 3.928 20 0 CHADMN C[C@@H](NCCSCc1ccccc1F)c1cscn1 ZINC000271145859 1127069306 /nfs/dbraw/zinc/06/93/06/1127069306.db2.gz PGWKXKNKZGCBOL-LLVKDONJSA-N 0 1 296.436 3.866 20 0 CHADMN CC(C)[C@H](CN[C@@H](C)c1cscn1)Nc1ccccc1 ZINC000271126044 1127069345 /nfs/dbraw/zinc/06/93/45/1127069345.db2.gz KOJBAJZXKCQUMF-ZFWWWQNUSA-N 0 1 289.448 3.930 20 0 CHADMN c1ccc(-c2cccc(C[N@H+]3CCO[C@@H]4CCC[C@@H]43)c2)nc1 ZINC000271129223 1127069434 /nfs/dbraw/zinc/06/94/34/1127069434.db2.gz OPPXUTKNSFDBKE-RBUKOAKNSA-N 0 1 294.398 3.502 20 0 CHADMN c1ccc(-c2cccc(CN3CCO[C@@H]4CCC[C@@H]43)c2)nc1 ZINC000271129223 1127069437 /nfs/dbraw/zinc/06/94/37/1127069437.db2.gz OPPXUTKNSFDBKE-RBUKOAKNSA-N 0 1 294.398 3.502 20 0 CHADMN Cn1cccc1[C@H]1CCCN1Cc1cc2ccc(F)cc2[nH]1 ZINC000488293386 1127070252 /nfs/dbraw/zinc/07/02/52/1127070252.db2.gz FYSYWLPDRGNQFJ-GOSISDBHSA-N 0 1 297.377 3.983 20 0 CHADMN CC[C@H](CN[C@@H](C)c1cscn1)Oc1ccccc1F ZINC000271195348 1127072005 /nfs/dbraw/zinc/07/20/05/1127072005.db2.gz YFTHIEXYFFRZAQ-NWDGAFQWSA-N 0 1 294.395 3.790 20 0 CHADMN C[C@H](Cc1ccccc1F)N[C@H](C)c1cscn1 ZINC000271188684 1127072132 /nfs/dbraw/zinc/07/21/32/1127072132.db2.gz XEXNYSMLHKECBU-GHMZBOCLSA-N 0 1 264.369 3.564 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)CCCc1ccccc1 ZINC000271231362 1127073598 /nfs/dbraw/zinc/07/35/98/1127073598.db2.gz BCXZTKCAHLMDFK-UHFFFAOYSA-N 0 1 293.317 3.617 20 0 CHADMN C[C@H](NCc1ccc(F)c(F)c1)c1ccccc1N(C)C ZINC000271330080 1127075921 /nfs/dbraw/zinc/07/59/21/1127075921.db2.gz ZPDNDMFPJCMZOT-LBPRGKRZSA-N 0 1 290.357 3.882 20 0 CHADMN C[C@H](N[C@H](CO)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000271415268 1127080020 /nfs/dbraw/zinc/08/00/20/1127080020.db2.gz ASALBETUNNOIJM-MEDUHNTESA-N 0 1 293.769 3.863 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2CCCc3c[nH]nc32)c(C)c1 ZINC000271429147 1127080323 /nfs/dbraw/zinc/08/03/23/1127080323.db2.gz APVRGJLEZMDSPC-XJKSGUPXSA-N 0 1 269.392 3.755 20 0 CHADMN CCC[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(OC)cc1 ZINC000271429406 1127080592 /nfs/dbraw/zinc/08/05/92/1127080592.db2.gz AXGKPIJKSGCHIT-SJORKVTESA-N 0 1 299.418 3.927 20 0 CHADMN Cc1cc(CN[C@H](CC(C)C)c2ccccc2)ncn1 ZINC000271439901 1127081618 /nfs/dbraw/zinc/08/16/18/1127081618.db2.gz FAHMPQLODDQVQC-QGZVFWFLSA-N 0 1 269.392 3.662 20 0 CHADMN Cc1nc([C@@H](C)NCCc2cccc(F)c2F)cs1 ZINC000271439657 1127081765 /nfs/dbraw/zinc/08/17/65/1127081765.db2.gz GJTYTFYNFKRGRZ-SECBINFHSA-N 0 1 282.359 3.623 20 0 CHADMN Cc1cccc([C@@H](C)N[C@@H]2CCCc3c[nH]nc32)c1C ZINC000271455573 1127083065 /nfs/dbraw/zinc/08/30/65/1127083065.db2.gz FGKUULBLHDJSGG-CZUORRHYSA-N 0 1 269.392 3.755 20 0 CHADMN COc1ccnc([C@@H](C)N[C@H]2CCc3c2cccc3F)c1 ZINC000924841139 1127084224 /nfs/dbraw/zinc/08/42/24/1127084224.db2.gz ABUWLMNZSGHNFC-BZNIZROVSA-N 0 1 286.350 3.567 20 0 CHADMN Cc1cnc(CN2CC[C@@H](c3cccc(F)c3)C2)s1 ZINC000271479484 1127084620 /nfs/dbraw/zinc/08/46/20/1127084620.db2.gz IAUVEAUAKYGGRI-CYBMUJFWSA-N 0 1 276.380 3.580 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(C(C)C)cc2)ncn1 ZINC000271500920 1127086462 /nfs/dbraw/zinc/08/64/62/1127086462.db2.gz MAITVDFKZGIKPF-CQSZACIVSA-N 0 1 269.392 3.759 20 0 CHADMN COc1cc(CN2CC[C@H](C)C[C@H]2C)c(F)cc1F ZINC001236836369 1131019295 /nfs/dbraw/zinc/01/92/95/1131019295.db2.gz ZXUWWPUAQCABTD-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN CCc1cccc2c1OCC[C@@H]2N[C@@H](C)c1cncs1 ZINC000271502829 1127087493 /nfs/dbraw/zinc/08/74/93/1127087493.db2.gz QWEQZMJXVZJDCE-FZMZJTMJSA-N 0 1 288.416 3.880 20 0 CHADMN CO[C@H](C)[C@H](C)N[C@H](C)c1c(F)cccc1Cl ZINC000271528488 1127088294 /nfs/dbraw/zinc/08/82/94/1127088294.db2.gz RNTQABOOKKATQT-IVZWLZJFSA-N 0 1 259.752 3.553 20 0 CHADMN COC[C@H](N[C@H](C)c1ccc2c(c1)COC2)c1ccccc1 ZINC000271527083 1127088541 /nfs/dbraw/zinc/08/85/41/1127088541.db2.gz VYGQBMCPOGLWDN-KUHUBIRLSA-N 0 1 297.398 3.755 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](C)c2ccc3c(c2)CCCC3)n[nH]1 ZINC000271524833 1127088594 /nfs/dbraw/zinc/08/85/94/1127088594.db2.gz OXFAGNHWMAZLEQ-QWHCGFSZSA-N 0 1 298.434 3.658 20 0 CHADMN Cc1nc(C(C)C)sc1[C@@H](C)N[C@H](C)c1cn[nH]c1 ZINC000271537170 1127089575 /nfs/dbraw/zinc/08/95/75/1127089575.db2.gz QJVRKMKUDKKRQR-NXEZZACHSA-N 0 1 278.425 3.710 20 0 CHADMN CCn1cc([C@H](C)NCc2coc3ccccc23)cn1 ZINC000271545123 1127090598 /nfs/dbraw/zinc/09/05/98/1127090598.db2.gz ZAWXMUHRAVMQQE-LBPRGKRZSA-N 0 1 269.348 3.500 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](C)c2cc(C)c(C)cc2C)n[nH]1 ZINC000271543271 1127090824 /nfs/dbraw/zinc/09/08/24/1127090824.db2.gz RBADQVRJZGRAQX-KBPBESRZSA-N 0 1 286.423 3.704 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](CC)c2ccc(Cl)cc2)n[nH]1 ZINC000271549215 1127090953 /nfs/dbraw/zinc/09/09/53/1127090953.db2.gz RWNLLHUIINQZLJ-ZWNOBZJWSA-N 0 1 292.814 3.822 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2CCCc3c[nH]nc32)s1 ZINC000271542479 1127091171 /nfs/dbraw/zinc/09/11/71/1127091171.db2.gz SVTLELHOYPQKIM-JQWIXIFHSA-N 0 1 261.394 3.508 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H]1CCCc3c[nH]nc31)CCC2 ZINC000271564269 1127092044 /nfs/dbraw/zinc/09/20/44/1127092044.db2.gz XIJIUKHJLWEGIH-SJORKVTESA-N 0 1 281.403 3.763 20 0 CHADMN CCN(CCc1cccs1)Cc1ncc(C)s1 ZINC000271572234 1127093030 /nfs/dbraw/zinc/09/30/30/1127093030.db2.gz UGRHSPRKWOZOMB-UHFFFAOYSA-N 0 1 266.435 3.578 20 0 CHADMN c1nc2cc(-c3nc([C@H]4CCCCS4)no3)ccc2[nH]1 ZINC000923963479 1127093463 /nfs/dbraw/zinc/09/34/63/1127093463.db2.gz CPCZVTIHUFGMCA-GFCCVEGCSA-N 0 1 286.360 3.571 20 0 CHADMN COc1cc([C@@H](C)N[C@H](C)c2cn[nH]c2)ccc1SC ZINC000271597682 1127093693 /nfs/dbraw/zinc/09/36/93/1127093693.db2.gz ZDDSNPYXEZAZFC-GHMZBOCLSA-N 0 1 291.420 3.552 20 0 CHADMN CN(CCOC(C)(C)C)Cc1ccc(Cl)s1 ZINC000067715738 1127104885 /nfs/dbraw/zinc/10/48/85/1127104885.db2.gz GAACPAHKEYKUPQ-UHFFFAOYSA-N 0 1 261.818 3.648 20 0 CHADMN C[C@@H]1C[C@@H](N[C@@H](c2ccccc2)C2CCCC2)c2ncnn21 ZINC000924847367 1127106968 /nfs/dbraw/zinc/10/69/68/1127106968.db2.gz UAHKWQKUXXQLRA-XYPHTWIQSA-N 0 1 296.418 3.805 20 0 CHADMN COc1cccc(C2(NCc3ccc(Cl)nc3)CC2)c1 ZINC000150891359 1127108241 /nfs/dbraw/zinc/10/82/41/1127108241.db2.gz QAHIYVPNWHXDGH-UHFFFAOYSA-N 0 1 288.778 3.523 20 0 CHADMN COc1ccsc1CNCc1ccc(C(F)F)cc1 ZINC000274213660 1127110238 /nfs/dbraw/zinc/11/02/38/1127110238.db2.gz XIBGJKCUQKRDGC-UHFFFAOYSA-N 0 1 283.343 3.984 20 0 CHADMN CC(C)C[C@H](C)CC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000067905664 1127120109 /nfs/dbraw/zinc/12/01/09/1127120109.db2.gz MELYCMOGBBXPFN-DZGCQCFKSA-N 0 1 296.480 3.539 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1cn(C)nc1C(F)F ZINC000274486837 1127120179 /nfs/dbraw/zinc/12/01/79/1127120179.db2.gz NVXKEAQTWLDAIE-NSHDSACASA-N 0 1 279.334 3.551 20 0 CHADMN COCc1ccc([C@@H]2CCCN2[C@@H](C)c2cccnc2)o1 ZINC000274461201 1127120415 /nfs/dbraw/zinc/12/04/15/1127120415.db2.gz MNZWCJLZZGYTTA-BBRMVZONSA-N 0 1 286.375 3.719 20 0 CHADMN COc1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(C)cc2)nn1 ZINC000283056392 1127121230 /nfs/dbraw/zinc/12/12/30/1127121230.db2.gz JGHGZDQJBXTNRN-QGZVFWFLSA-N 0 1 297.402 3.521 20 0 CHADMN COc1ccc(CN2CCCC[C@@H]2c2ccc(C)cc2)nn1 ZINC000283056392 1127121234 /nfs/dbraw/zinc/12/12/34/1127121234.db2.gz JGHGZDQJBXTNRN-QGZVFWFLSA-N 0 1 297.402 3.521 20 0 CHADMN CCN(Cc1cc2cc(F)ccc2o1)Cc1ccncc1 ZINC000348896829 1127133123 /nfs/dbraw/zinc/13/31/23/1127133123.db2.gz UGPQOGLKINNZIY-UHFFFAOYSA-N 0 1 284.334 3.989 20 0 CHADMN Cc1nc(CN2CCC3(CCCCC3)CC2)c(C)o1 ZINC000659870412 1127133835 /nfs/dbraw/zinc/13/38/35/1127133835.db2.gz AVPXVQWSAPZJID-UHFFFAOYSA-N 0 1 262.397 3.838 20 0 CHADMN CCN(C/C=C/c1ccccc1)CCC(F)(F)F ZINC000586768376 1127138925 /nfs/dbraw/zinc/13/89/25/1127138925.db2.gz XXGMGPPXYHJIBT-RMKNXTFCSA-N 0 1 257.299 3.974 20 0 CHADMN CC(C)OCC[C@H](O)C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000349218808 1127143229 /nfs/dbraw/zinc/14/32/29/1127143229.db2.gz PVUBNCOQRSNNSU-KGLIPLIRSA-N 0 1 299.842 3.509 20 0 CHADMN COc1c(C)cc(CN(Cc2cccnc2)C2CC2)cc1C ZINC000349240795 1127144280 /nfs/dbraw/zinc/14/42/80/1127144280.db2.gz KBNASYDLZGJCKW-UHFFFAOYSA-N 0 1 296.414 3.872 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccsc1)c1ccc2c(c1)CCC2 ZINC000349317238 1127147535 /nfs/dbraw/zinc/14/75/35/1127147535.db2.gz YOQKJPKQBPQCLM-SJCJKPOMSA-N 0 1 287.428 3.621 20 0 CHADMN OC[C@@H](N[C@@H]1CCCc2cc(F)ccc21)c1ccsc1 ZINC000349356105 1127148181 /nfs/dbraw/zinc/14/81/81/1127148181.db2.gz PNVWLOOSABIIOT-HZPDHXFCSA-N 0 1 291.391 3.588 20 0 CHADMN Cc1ccsc1[C@@H](C)N[C@@H](CO)c1ccsc1 ZINC000349358189 1127148404 /nfs/dbraw/zinc/14/84/04/1127148404.db2.gz VQHYDFSOBSUTRK-PWSUYJOCSA-N 0 1 267.419 3.502 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccccn2)cc(C)c1O ZINC000283717044 1127152758 /nfs/dbraw/zinc/15/27/58/1127152758.db2.gz ATRFMEUGVZUSEE-AWEZNQCLSA-N 0 1 270.376 3.597 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000570986069 1127153024 /nfs/dbraw/zinc/15/30/24/1127153024.db2.gz ZWBWIFFERKKJFW-ZYHUDNBSSA-N 0 1 275.783 3.850 20 0 CHADMN CCC[C@H](NCc1ccc(OC)cc1F)c1cccnc1 ZINC000349517814 1127153416 /nfs/dbraw/zinc/15/34/16/1127153416.db2.gz PEBYZLBFWHDSCV-KRWDZBQOSA-N 0 1 288.366 3.860 20 0 CHADMN CN(Cc1cc(Cl)cs1)Cc1ccc(O)cc1 ZINC000349410954 1127150558 /nfs/dbraw/zinc/15/05/58/1127150558.db2.gz VGKPKXPAKPYRKP-UHFFFAOYSA-N 0 1 267.781 3.739 20 0 CHADMN Cc1ncccc1CN(C)CCOc1ccccc1Cl ZINC000349671715 1127157523 /nfs/dbraw/zinc/15/75/23/1127157523.db2.gz DGDBLJTZLRVNES-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN Cc1ccc(CN(C)CCOc2ccccc2Cl)nc1 ZINC000349680465 1127157702 /nfs/dbraw/zinc/15/77/02/1127157702.db2.gz YXUXWWFDQHWIIA-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN Cc1c(C(=O)Nc2cc3cn[nH]c3cc2C)ccn1C(C)C ZINC000349745190 1127159492 /nfs/dbraw/zinc/15/94/92/1127159492.db2.gz BBKCNQCNHYTDMD-UHFFFAOYSA-N 0 1 296.374 3.814 20 0 CHADMN O=C(c1ccc2cncn2c1)N1CCC[C@H]1C1CCCCC1 ZINC000283847916 1127159508 /nfs/dbraw/zinc/15/95/08/1127159508.db2.gz GFKKHKUFYZZIDV-KRWDZBQOSA-N 0 1 297.402 3.519 20 0 CHADMN Cc1ccc2nc(CN[C@@H]3C[C@@H](C)c4ccccc43)cn2c1 ZINC000283867421 1127160709 /nfs/dbraw/zinc/16/07/09/1127160709.db2.gz IMHOYBFIAXUTEK-RDTXWAMCSA-N 0 1 291.398 3.981 20 0 CHADMN COc1ccc(C[N@@H+](Cc2ccco2)C(C)C)cc1F ZINC000349833262 1127163767 /nfs/dbraw/zinc/16/37/67/1127163767.db2.gz SHQDPVWPNVRZIB-UHFFFAOYSA-N 0 1 277.339 3.838 20 0 CHADMN COc1ccc(CN(Cc2ccco2)C(C)C)cc1F ZINC000349833262 1127163769 /nfs/dbraw/zinc/16/37/69/1127163769.db2.gz SHQDPVWPNVRZIB-UHFFFAOYSA-N 0 1 277.339 3.838 20 0 CHADMN CCn1ccnc1CN1CC2(CCCCC2)[C@@H]1C(C)C ZINC000571739294 1127167146 /nfs/dbraw/zinc/16/71/46/1127167146.db2.gz UBKUGANUAGSFLN-INIZCTEOSA-N 0 1 275.440 3.694 20 0 CHADMN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccsc1 ZINC000349942497 1127168085 /nfs/dbraw/zinc/16/80/85/1127168085.db2.gz AJVGMAFTGBLKJI-UHFFFAOYSA-N 0 1 287.793 3.511 20 0 CHADMN CCN(C/C=C\c1ccc(F)cc1F)Cc1ccccn1 ZINC000350021373 1127171210 /nfs/dbraw/zinc/17/12/10/1127171210.db2.gz WGXCLYGDWZKQIN-WAYWQWQTSA-N 0 1 288.341 3.895 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cccc3c2OCO3)cc1 ZINC000924858644 1127171790 /nfs/dbraw/zinc/17/17/90/1127171790.db2.gz PDLXDJUAQAWGRX-STQMWFEESA-N 0 1 299.370 3.836 20 0 CHADMN Cc1sccc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000350152644 1127174029 /nfs/dbraw/zinc/17/40/29/1127174029.db2.gz YTVSGFIWPVCLLQ-UHFFFAOYSA-N 0 1 290.407 3.518 20 0 CHADMN FC(F)(F)c1cc(CN2CCC[C@H]3C[C@H]32)cc(Cl)n1 ZINC001237493364 1131105391 /nfs/dbraw/zinc/10/53/91/1131105391.db2.gz JNDZZIGXACFSEP-VHSXEESVSA-N 0 1 290.716 3.738 20 0 CHADMN CC(C)COc1ccc(CN(C)Cc2ccccn2)cc1 ZINC000350349147 1127177783 /nfs/dbraw/zinc/17/77/83/1127177783.db2.gz BSJNAPMCZHGFAT-UHFFFAOYSA-N 0 1 284.403 3.748 20 0 CHADMN C[C@H]1CN(CCSc2ccccc2F)CCC1(F)F ZINC000571811018 1127178308 /nfs/dbraw/zinc/17/83/08/1127178308.db2.gz QIQYFHRNDBRWFS-NSHDSACASA-N 0 1 289.366 3.895 20 0 CHADMN FC[C@@H]1CCCN1CCc1cccc(OC(F)(F)F)c1 ZINC000571780761 1127178629 /nfs/dbraw/zinc/17/86/29/1127178629.db2.gz CXQWMGVRQUQAEC-LBPRGKRZSA-N 0 1 291.288 3.562 20 0 CHADMN O=C(CN1CCC2(CCCCC2)CC1)Nc1ccccc1 ZINC000588170176 1127180143 /nfs/dbraw/zinc/18/01/43/1127180143.db2.gz NRNCMGPJRRUNOF-UHFFFAOYSA-N 0 1 286.419 3.671 20 0 CHADMN CC/C=C/CCN1CCc2c(F)cc(F)cc2C1 ZINC000466802617 1127181230 /nfs/dbraw/zinc/18/12/30/1127181230.db2.gz PYONBUSLQYVIQH-ONEGZZNKSA-N 0 1 251.320 3.679 20 0 CHADMN CCn1nccc1CCN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000284375336 1127182189 /nfs/dbraw/zinc/18/21/89/1127182189.db2.gz LPRUEPZRLSMSCI-MRXNPFEDSA-N 0 1 289.810 3.546 20 0 CHADMN Cc1ccoc1CN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000284442028 1127183485 /nfs/dbraw/zinc/18/34/85/1127183485.db2.gz SXDOFPIESZZSRA-NWDGAFQWSA-N 0 1 274.191 3.604 20 0 CHADMN C[C@]12CCN(Cc3ccsc3)C[C@H]1C2(Cl)Cl ZINC000284446822 1127183568 /nfs/dbraw/zinc/18/35/68/1127183568.db2.gz TYNZTJFQOMRDNR-MNOVXSKESA-N 0 1 276.232 3.764 20 0 CHADMN Cc1ccoc1CN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000284442026 1127183733 /nfs/dbraw/zinc/18/37/33/1127183733.db2.gz SXDOFPIESZZSRA-NEPJUHHUSA-N 0 1 274.191 3.604 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1ccnc(Cl)c1 ZINC000063517560 1131122404 /nfs/dbraw/zinc/12/24/04/1131122404.db2.gz GPYRZUVOCPXRTR-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN CC[C@H](NCc1cc(C)nn1C)c1ccc(Cl)s1 ZINC000284496513 1127186064 /nfs/dbraw/zinc/18/60/64/1127186064.db2.gz VNPRVVMCPVHCIB-NSHDSACASA-N 0 1 283.828 3.684 20 0 CHADMN CC(C)Cn1ccnc1CN[C@@H](C)CSC(C)(C)C ZINC000164801258 1127188650 /nfs/dbraw/zinc/18/86/50/1127188650.db2.gz DKSWMCVQIUUEGW-ZDUSSCGKSA-N 0 1 283.485 3.549 20 0 CHADMN c1cc(CN2CCC[C@@]3(CCCc4ccccc43)C2)no1 ZINC000351524403 1127191763 /nfs/dbraw/zinc/19/17/63/1127191763.db2.gz QMZAZMAXKJUNDM-SFHVURJKSA-N 0 1 282.387 3.545 20 0 CHADMN CC(C)Cn1ccnc1NCc1cc(F)c(F)c(F)c1 ZINC000351545459 1127192427 /nfs/dbraw/zinc/19/24/27/1127192427.db2.gz MYKAZMRRDMHVDP-UHFFFAOYSA-N 0 1 283.297 3.569 20 0 CHADMN CCC[C@@H](CC1CCCC1)c1nc(C2(N)CCC2)no1 ZINC000572157183 1127192889 /nfs/dbraw/zinc/19/28/89/1127192889.db2.gz HLVKTJHNJADFJA-ZDUSSCGKSA-N 0 1 277.412 3.872 20 0 CHADMN Fc1ccc(CNc2nccn2Cc2ccccc2)cc1 ZINC000351550456 1127193170 /nfs/dbraw/zinc/19/31/70/1127193170.db2.gz LISQPOIYPNOUPM-UHFFFAOYSA-N 0 1 281.334 3.683 20 0 CHADMN CC(C)Cn1ccnc1NCc1coc2ccccc12 ZINC000351550496 1127193403 /nfs/dbraw/zinc/19/34/03/1127193403.db2.gz LTUYVJQDIVGEBM-UHFFFAOYSA-N 0 1 269.348 3.897 20 0 CHADMN C[C@@H](NCc1ccnc(OC(F)F)c1)c1ccc(F)cc1 ZINC000284623729 1127193623 /nfs/dbraw/zinc/19/36/23/1127193623.db2.gz ZSVFCVROXGVSEH-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN CCC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000572127709 1127193898 /nfs/dbraw/zinc/19/38/98/1127193898.db2.gz PIEXMQIPUOUGGG-OAHLLOKOSA-N 0 1 293.382 3.925 20 0 CHADMN Cc1ccc(CNc2nccn2Cc2ccccc2)s1 ZINC000351570951 1127194046 /nfs/dbraw/zinc/19/40/46/1127194046.db2.gz PVURDZBLODKTHR-UHFFFAOYSA-N 0 1 283.400 3.913 20 0 CHADMN CCOc1ccc(CNc2nccn2CC(C)C)cc1 ZINC000351568251 1127194170 /nfs/dbraw/zinc/19/41/70/1127194170.db2.gz MJBHYMBLGVIPGG-UHFFFAOYSA-N 0 1 273.380 3.550 20 0 CHADMN COc1ccsc1CNc1nccn1-c1ccccc1 ZINC000351567291 1127194627 /nfs/dbraw/zinc/19/46/27/1127194627.db2.gz HUJNBSDQAYDERB-UHFFFAOYSA-N 0 1 285.372 3.555 20 0 CHADMN Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@]3(CCO3)C2)c1 ZINC001237700769 1131129837 /nfs/dbraw/zinc/12/98/37/1131129837.db2.gz DWRVCNSRQLYMKB-INIZCTEOSA-N 0 1 279.811 3.712 20 0 CHADMN Cc1cc(C)c(Cl)c(CN2CCC[C@]3(CCO3)C2)c1 ZINC001237700769 1131129841 /nfs/dbraw/zinc/12/98/41/1131129841.db2.gz DWRVCNSRQLYMKB-INIZCTEOSA-N 0 1 279.811 3.712 20 0 CHADMN Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCC(C)(C)CC1 ZINC000588904539 1127204527 /nfs/dbraw/zinc/20/45/27/1127204527.db2.gz DKNRCEISUYIJRR-ZDUSSCGKSA-N 0 1 292.398 3.583 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc3c(c2)OC(F)(F)O3)o1 ZINC000351767258 1127208566 /nfs/dbraw/zinc/20/85/66/1127208566.db2.gz UKVZVGVIVIXQSN-SNVBAGLBSA-N 0 1 295.285 3.760 20 0 CHADMN C[C@H](F)CCN1CCc2c(F)cc(F)cc2[C@H]1C ZINC000351879179 1127212840 /nfs/dbraw/zinc/21/28/40/1127212840.db2.gz HKZGAJKFHXGKSQ-VHSXEESVSA-N 0 1 257.299 3.632 20 0 CHADMN CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1ccncc1Cl ZINC000351879360 1127212924 /nfs/dbraw/zinc/21/29/24/1127212924.db2.gz JRKRVQAHOSHAGQ-HUUCEWRRSA-N 0 1 296.842 3.761 20 0 CHADMN CSC1(CN2CC[C@](F)(c3ccccc3F)C2)CC1 ZINC000589178220 1127213813 /nfs/dbraw/zinc/21/38/13/1127213813.db2.gz MUZVFFQXWLLYTE-OAHLLOKOSA-N 0 1 283.387 3.592 20 0 CHADMN CO[C@@H](C)CN1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000285074245 1127216108 /nfs/dbraw/zinc/21/61/08/1127216108.db2.gz PFMWHHBZCZVCFE-YOEHRIQHSA-N 0 1 299.418 3.639 20 0 CHADMN CCCC1CCN(Cc2ccc(F)c(C)n2)CC1 ZINC001237816547 1131141927 /nfs/dbraw/zinc/14/19/27/1131141927.db2.gz HVRHVLHNXADACI-UHFFFAOYSA-N 0 1 250.361 3.541 20 0 CHADMN CCCC[C@@H](C)[N@@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000572767615 1127227219 /nfs/dbraw/zinc/22/72/19/1127227219.db2.gz PDCCCYZRZSIDSO-LLVKDONJSA-N 0 1 264.344 3.977 20 0 CHADMN CO[C@H]1CN(Cc2ccccc2C(F)(F)F)CC[C@@H]1C ZINC000352401636 1127228990 /nfs/dbraw/zinc/22/89/90/1127228990.db2.gz JAHWAXIBJLXLGW-FZMZJTMJSA-N 0 1 287.325 3.562 20 0 CHADMN Cc1ccc(C2CC2)c(C(=O)Nc2nc(C3CCC3)n[nH]2)c1 ZINC000572870819 1127229661 /nfs/dbraw/zinc/22/96/61/1127229661.db2.gz FTEXTMUVIGQVKR-UHFFFAOYSA-N 0 1 296.374 3.510 20 0 CHADMN Cc1ccc(C2CC2)c(C(=O)Nc2n[nH]c(C3CCC3)n2)c1 ZINC000572870819 1127229664 /nfs/dbraw/zinc/22/96/64/1127229664.db2.gz FTEXTMUVIGQVKR-UHFFFAOYSA-N 0 1 296.374 3.510 20 0 CHADMN CCOC1CC2(C1)CCN(Cc1sccc1Cl)C2 ZINC000285409784 1127225742 /nfs/dbraw/zinc/22/57/42/1127225742.db2.gz FQXIQOBGDHYNGC-UHFFFAOYSA-N 0 1 285.840 3.793 20 0 CHADMN Cc1cc(C)c(CNCc2cnc3ccccc3n2)c(C)c1 ZINC000589833924 1127236938 /nfs/dbraw/zinc/23/69/38/1127236938.db2.gz GRXCUFYAWPGHKF-UHFFFAOYSA-N 0 1 291.398 3.845 20 0 CHADMN Fc1cccc(Cl)c1CNCc1[nH]nc2ccccc21 ZINC000589647169 1127233200 /nfs/dbraw/zinc/23/32/00/1127233200.db2.gz KFZCPDRTJDHDTG-UHFFFAOYSA-N 0 1 289.741 3.645 20 0 CHADMN Clc1ccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000352448525 1127233856 /nfs/dbraw/zinc/23/38/56/1127233856.db2.gz TUZNKOIMCZRTOR-JKSUJKDBSA-N 0 1 291.822 3.874 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)c2occc2C(C)C)c1 ZINC000285552712 1127237571 /nfs/dbraw/zinc/23/75/71/1127237571.db2.gz IRMCRCKVVURUBD-UHFFFAOYSA-N 0 1 287.315 3.564 20 0 CHADMN CCOc1ccc(CN2CCC(C)(F)CC2)cc1F ZINC001237951973 1131155317 /nfs/dbraw/zinc/15/53/17/1131155317.db2.gz OLRZTKRFISRUSX-UHFFFAOYSA-N 0 1 269.335 3.548 20 0 CHADMN C[N@@H+](CCc1cccs1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237990796 1131158494 /nfs/dbraw/zinc/15/84/94/1131158494.db2.gz XZRCBHZKUDBWQO-UHFFFAOYSA-N 0 1 299.798 3.921 20 0 CHADMN CCc1nocc1CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000352935586 1127253223 /nfs/dbraw/zinc/25/32/23/1127253223.db2.gz QCCWRJIFWDUDEF-NSHDSACASA-N 0 1 292.329 3.505 20 0 CHADMN Cc1cc(C)c(CN[C@@H](c2nccn2C)C2CC2)cc1C ZINC000353053925 1127259476 /nfs/dbraw/zinc/25/94/76/1127259476.db2.gz OQTNNMAUBVQQHC-QGZVFWFLSA-N 0 1 283.419 3.586 20 0 CHADMN CSc1ccc(CNCc2ccc3c(n2)CCC3)cc1 ZINC000572937808 1127261505 /nfs/dbraw/zinc/26/15/05/1127261505.db2.gz KHJGZAFFWNUPEJ-UHFFFAOYSA-N 0 1 284.428 3.582 20 0 CHADMN Cc1cc(O)c(CN(C)Cc2ccccc2F)cc1C ZINC000057534969 1127262995 /nfs/dbraw/zinc/26/29/95/1127262995.db2.gz YNWWDWWSKOFVTE-UHFFFAOYSA-N 0 1 273.351 3.780 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccsc1)c1nccc2ccccc21 ZINC000353592678 1127271119 /nfs/dbraw/zinc/27/11/19/1127271119.db2.gz BCKFRIVNJMFQII-MLGOLLRUSA-N 0 1 298.411 3.681 20 0 CHADMN Fc1ccc(Br)cc1CN1CCC[C@@H]1C1CC1 ZINC000590788057 1127272991 /nfs/dbraw/zinc/27/29/91/1127272991.db2.gz SWCXPVIPJFGLJC-CQSZACIVSA-N 0 1 298.199 3.963 20 0 CHADMN [O-]c1cc(F)c(C[NH+]2CC3(C2)CCCC3)cc1Cl ZINC001238146963 1131173756 /nfs/dbraw/zinc/17/37/56/1131173756.db2.gz OIPPRUALBCIDGS-UHFFFAOYSA-N 0 1 269.747 3.561 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cnc3n[nH]c(C)c3c2)o1 ZINC000353918599 1127278776 /nfs/dbraw/zinc/27/87/76/1127278776.db2.gz ZBQGEBFNUGLRIL-HNNXBMFYSA-N 0 1 296.374 3.505 20 0 CHADMN CCSCC[C@H](C)[N@@H+](C)Cc1cc(F)ccc1F ZINC000353946748 1127279614 /nfs/dbraw/zinc/27/96/14/1127279614.db2.gz JKEPVIPWYSQLFB-NSHDSACASA-N 0 1 273.392 3.928 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1cc(F)ccc1F ZINC000353946748 1127279616 /nfs/dbraw/zinc/27/96/16/1127279616.db2.gz JKEPVIPWYSQLFB-NSHDSACASA-N 0 1 273.392 3.928 20 0 CHADMN CCn1cc(CNC2c3ccccc3-c3ccccc32)cn1 ZINC000353948946 1127280993 /nfs/dbraw/zinc/28/09/93/1127280993.db2.gz YMPUIUZXYFLDSJ-UHFFFAOYSA-N 0 1 289.382 3.763 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC[C@H](n2ccnc2)C1 ZINC000591083199 1127285294 /nfs/dbraw/zinc/28/52/94/1127285294.db2.gz QVCGHBKNOXVOEM-JSGCOSHPSA-N 0 1 291.345 3.559 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H]2CSC[C@@H]2C)cs1 ZINC000354018286 1127285523 /nfs/dbraw/zinc/28/55/23/1127285523.db2.gz PEIYXRCTVXELGH-GARJFASQSA-N 0 1 270.467 3.669 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccc(Cl)cc1)c1cncs1 ZINC000287072061 1127285879 /nfs/dbraw/zinc/28/58/79/1127285879.db2.gz OEMJLVLUHVCXQN-GWCFXTLKSA-N 0 1 296.823 3.571 20 0 CHADMN CN(Cc1ccc[nH]1)Cc1ccc(Cl)c2cccnc12 ZINC000354026742 1127286819 /nfs/dbraw/zinc/28/68/19/1127286819.db2.gz YJHXYGPNANOPTP-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN C[C@H]1CN(Cc2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 ZINC000354025413 1127286828 /nfs/dbraw/zinc/28/68/28/1127286828.db2.gz DDVULOXLOVQFMD-LIRRHRJNSA-N 0 1 295.382 3.651 20 0 CHADMN CN(Cc1ccc[nH]1)Cc1cccc(OCC(F)(F)F)c1 ZINC000354044178 1127288081 /nfs/dbraw/zinc/28/80/81/1127288081.db2.gz GNZQHAYQQVXSKK-UHFFFAOYSA-N 0 1 298.308 3.588 20 0 CHADMN C[C@H]1CCN(Cc2ccncc2Cl)CC1(C)C ZINC000354043192 1127288146 /nfs/dbraw/zinc/28/81/46/1127288146.db2.gz WPFFVBMOZVNYHX-NSHDSACASA-N 0 1 252.789 3.603 20 0 CHADMN CC[C@H](CC(=O)NC[C@@H](c1ccsc1)N(C)C)C(C)C ZINC000591126018 1127288168 /nfs/dbraw/zinc/28/81/68/1127288168.db2.gz RFQCUZCMQMGIGD-HIFRSBDPSA-N 0 1 296.480 3.539 20 0 CHADMN CC(C)c1cc(CN2CC[C@@H](O)C[C@H]2C)ccc1Cl ZINC001238227622 1131184541 /nfs/dbraw/zinc/18/45/41/1131184541.db2.gz IBZMUEPMALFQOW-TZMCWYRMSA-N 0 1 281.827 3.809 20 0 CHADMN CSC[C@@H]1CCCN1Cc1ccc(F)cc1Cl ZINC000354100812 1127293178 /nfs/dbraw/zinc/29/31/78/1127293178.db2.gz PKYJFSMEQRCSPR-LBPRGKRZSA-N 0 1 273.804 3.807 20 0 CHADMN CN(Cc1ccc(O)cc1)Cc1ccc(Cl)c(F)c1 ZINC000354140468 1127295824 /nfs/dbraw/zinc/29/58/24/1127295824.db2.gz YQWRJIPGQOKTRJ-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN CC(C)n1nccc1CN[C@H]1CCc2cc(Cl)ccc21 ZINC000354148129 1127296675 /nfs/dbraw/zinc/29/66/75/1127296675.db2.gz WMSXZVMYXXQHOM-INIZCTEOSA-N 0 1 289.810 3.895 20 0 CHADMN CCOC(=O)c1coc(CN[C@H](CC)c2ccccc2)c1 ZINC000354187520 1127298195 /nfs/dbraw/zinc/29/81/95/1127298195.db2.gz HQJYOVOXYKRDSE-MRXNPFEDSA-N 0 1 287.359 3.697 20 0 CHADMN CCCOc1ccc([C@@H](C)N[C@H](C)c2ccnnc2)cc1 ZINC000924859154 1127300230 /nfs/dbraw/zinc/30/02/30/1127300230.db2.gz QNHNXWBFMKFLKH-ZIAGYGMSSA-N 0 1 285.391 3.677 20 0 CHADMN CC(C)(C)c1ccc(C(=O)Nc2nc(C3CCC3)n[nH]2)cc1 ZINC000354324912 1127303018 /nfs/dbraw/zinc/30/30/18/1127303018.db2.gz CSWPWPWMDCNGGY-UHFFFAOYSA-N 0 1 298.390 3.622 20 0 CHADMN CC(C)(C)c1ccc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc1 ZINC000354324912 1127303022 /nfs/dbraw/zinc/30/30/22/1127303022.db2.gz CSWPWPWMDCNGGY-UHFFFAOYSA-N 0 1 298.390 3.622 20 0 CHADMN Cc1ccoc1CN(C)C[C@H]1CCC2(CCCC2)O1 ZINC000573277200 1127305479 /nfs/dbraw/zinc/30/54/79/1127305479.db2.gz HOFAVPFDCZFYHZ-CQSZACIVSA-N 0 1 263.381 3.512 20 0 CHADMN C[C@@H](NCc1cnnn1C)c1ccc(C2CCCCC2)cc1 ZINC000287485351 1127307552 /nfs/dbraw/zinc/30/75/52/1127307552.db2.gz XIZGJNPTVIXQNX-CQSZACIVSA-N 0 1 298.434 3.714 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CCC(C)(C)C1 ZINC001238320708 1131190380 /nfs/dbraw/zinc/19/03/80/1131190380.db2.gz WRIDVNPWZFBLDJ-UHFFFAOYSA-N 0 1 265.372 3.845 20 0 CHADMN CCOc1ccc(CN2CCC[C@H](CF)C2)c(Cl)c1 ZINC001238401898 1131195921 /nfs/dbraw/zinc/19/59/21/1131195921.db2.gz FDPQYIHFADQNSE-GFCCVEGCSA-N 0 1 285.790 3.920 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc(CC(C)C)c2)n(C)n1 ZINC000287610176 1127311251 /nfs/dbraw/zinc/31/12/51/1127311251.db2.gz SJTQTVDJEHPSMF-HNNXBMFYSA-N 0 1 285.435 3.778 20 0 CHADMN COC[C@@H](N[C@@H](C)CSC)c1cccc(Cl)c1F ZINC000287889656 1127314389 /nfs/dbraw/zinc/31/43/89/1127314389.db2.gz YYGMUEWTIQVSSJ-JOYOIKCWSA-N 0 1 291.819 3.508 20 0 CHADMN COc1ccncc1CN[C@@H](C)c1ccc(C)c(C)c1 ZINC000287909692 1127315216 /nfs/dbraw/zinc/31/52/16/1127315216.db2.gz VJDGMQQBGBWRFL-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1ccncc1CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000355125833 1127318651 /nfs/dbraw/zinc/31/86/51/1127318651.db2.gz QWMTYDJOWFLCPX-CYBMUJFWSA-N 0 1 286.341 3.800 20 0 CHADMN Cc1cccc(C)c1[C@H](C)NC(=O)c1cccc2nc[nH]c21 ZINC000355168390 1127321994 /nfs/dbraw/zinc/32/19/94/1127321994.db2.gz JIPCPNGGTJVNQB-ZDUSSCGKSA-N 0 1 293.370 3.671 20 0 CHADMN Cc1cccc2ncc(CN3CC=C(C(C)(C)C)CC3)n21 ZINC000355197177 1127324136 /nfs/dbraw/zinc/32/41/36/1127324136.db2.gz LPPNVTBKIQJOTJ-UHFFFAOYSA-N 0 1 283.419 3.821 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC[C@H](n2ccnc2)C1 ZINC000591869068 1127324518 /nfs/dbraw/zinc/32/45/18/1127324518.db2.gz HVXFAGZVROEWFR-OCCSQVGLSA-N 0 1 291.345 3.559 20 0 CHADMN Cc1oc2ccccc2c1CN1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000355213977 1127325589 /nfs/dbraw/zinc/32/55/89/1127325589.db2.gz GHEJSWHREMXKBE-XIKOKIGWSA-N 0 1 285.387 3.741 20 0 CHADMN CCCc1csc(CN2CCCC3(CCC3)C2)n1 ZINC000355228936 1127326978 /nfs/dbraw/zinc/32/69/78/1127326978.db2.gz XVJZFXVVOLNKTJ-UHFFFAOYSA-N 0 1 264.438 3.862 20 0 CHADMN CCc1cccc(C[N@H+](CC)C2CCC(C(=O)[O-])CC2)c1 ZINC000573743520 1127328313 /nfs/dbraw/zinc/32/83/13/1127328313.db2.gz MLACKOJWBBNEON-UHFFFAOYSA-N 0 1 289.419 3.714 20 0 CHADMN Cc1nc([C@H]2CCCN2C[C@H](O)CC2CCCC2)cs1 ZINC000355260136 1127328857 /nfs/dbraw/zinc/32/88/57/1127328857.db2.gz AIOIMACGHYLHFX-GDBMZVCRSA-N 0 1 294.464 3.530 20 0 CHADMN C[C@@H](O)CCCN1CC=C(c2ccccc2Cl)CC1 ZINC000355256016 1127329310 /nfs/dbraw/zinc/32/93/10/1127329310.db2.gz GSVDETKOWIVOQZ-CYBMUJFWSA-N 0 1 279.811 3.590 20 0 CHADMN Cc1nc([C@@H]2CCCN2C[C@H](O)C2CCCCC2)cs1 ZINC000355271295 1127329616 /nfs/dbraw/zinc/32/96/16/1127329616.db2.gz FZWLPTAOCAQNAJ-HOTGVXAUSA-N 0 1 294.464 3.530 20 0 CHADMN C[C@@H](c1cccs1)N(C)CC[S@](=O)c1ccccc1 ZINC000355268455 1127330099 /nfs/dbraw/zinc/33/00/99/1127330099.db2.gz TXKYYBRKKKGEJD-DJJJIMSYSA-N 0 1 293.457 3.549 20 0 CHADMN C[C@@H]1C[C@H](F)CN1[C@H]1CCc2cccc(Cl)c2C1 ZINC001170917196 1131223028 /nfs/dbraw/zinc/22/30/28/1131223028.db2.gz FKENAMCJEYWTLS-WXHSDQCUSA-N 0 1 267.775 3.630 20 0 CHADMN C[C@H](CCN1CCC=C(F)C1)OCc1ccccc1 ZINC000355276303 1127330674 /nfs/dbraw/zinc/33/06/74/1127330674.db2.gz BJGARRVXFZPUEY-CQSZACIVSA-N 0 1 263.356 3.541 20 0 CHADMN CC(C)CC1CCN(Cc2ccncc2Cl)CC1 ZINC000760921827 1127333719 /nfs/dbraw/zinc/33/37/19/1127333719.db2.gz UAEBWKOTKPINLM-UHFFFAOYSA-N 0 1 266.816 3.993 20 0 CHADMN CO[C@@H](C)c1nc(CN2CCC[C@H]2C(C)(C)C)cs1 ZINC000355331667 1127334029 /nfs/dbraw/zinc/33/40/29/1127334029.db2.gz MAZNYYGCEWKQPV-AAEUAGOBSA-N 0 1 282.453 3.861 20 0 CHADMN COC[C@@H](NCc1ccsc1)c1cccc(Cl)c1 ZINC000288464081 1127341153 /nfs/dbraw/zinc/34/11/53/1127341153.db2.gz FDLUPPPFSNKGBI-CQSZACIVSA-N 0 1 281.808 3.879 20 0 CHADMN CCN(CCSC)Cc1ccc(-c2ncco2)cc1F ZINC000592201243 1127341303 /nfs/dbraw/zinc/34/13/03/1127341303.db2.gz DOLGWLMZSFIRDM-UHFFFAOYSA-N 0 1 294.395 3.666 20 0 CHADMN Oc1cc(F)cc(CN[C@@H]2CCCc3ccc(F)cc32)c1 ZINC000355464870 1127343375 /nfs/dbraw/zinc/34/33/75/1127343375.db2.gz AHRFGICLTPGHIC-QGZVFWFLSA-N 0 1 289.325 3.838 20 0 CHADMN CO[C@@H](C)c1noc(CN(CCC(C)C)C2CCCC2)n1 ZINC000355547879 1127348599 /nfs/dbraw/zinc/34/85/99/1127348599.db2.gz AUSNPEHVQIORBA-ZDUSSCGKSA-N 0 1 295.427 3.568 20 0 CHADMN Cc1ccncc1CN(C)Cc1ccc2c(c1)CCC2 ZINC000355580989 1127350184 /nfs/dbraw/zinc/35/01/84/1127350184.db2.gz ITEPLPVZHRHAJL-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN Cc1ccncc1CN(C)Cc1cc(F)cc2cccnc21 ZINC000355577139 1127350715 /nfs/dbraw/zinc/35/07/15/1127350715.db2.gz CZMKXIOYQCLRMS-UHFFFAOYSA-N 0 1 295.361 3.709 20 0 CHADMN Cc1ccc(CN2CCC(C)(C(=O)OC(C)(C)C)CC2)o1 ZINC000592522606 1127352522 /nfs/dbraw/zinc/35/25/22/1127352522.db2.gz BFZXBACLXNNIME-UHFFFAOYSA-N 0 1 293.407 3.532 20 0 CHADMN CCSc1cc(CNc2ccnc(C)c2Cl)ccn1 ZINC000355680680 1127359106 /nfs/dbraw/zinc/35/91/06/1127359106.db2.gz YKKXTYRIECJXED-UHFFFAOYSA-N 0 1 293.823 3.584 20 0 CHADMN c1cn(Cc2ccccc2)c(CN(CC2CC2)C2CCC2)n1 ZINC000355726659 1127360282 /nfs/dbraw/zinc/36/02/82/1127360282.db2.gz ILFZFBJDVMMADI-UHFFFAOYSA-N 0 1 295.430 3.696 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC[C@]2(CCCOC2)C1 ZINC000355743267 1127362373 /nfs/dbraw/zinc/36/23/73/1127362373.db2.gz MBORGYAJFOONDA-GUYCJALGSA-N 0 1 295.373 3.918 20 0 CHADMN COCC[C@H](NCc1ccc(C)c(C)c1)c1ccco1 ZINC000355763010 1127363128 /nfs/dbraw/zinc/36/31/28/1127363128.db2.gz FCJNWXQIJVYWPU-INIZCTEOSA-N 0 1 273.376 3.764 20 0 CHADMN c1oc2ccccc2c1-c1noc([C@@H]2CCCN2C2CC2)n1 ZINC000289076684 1127372886 /nfs/dbraw/zinc/37/28/86/1127372886.db2.gz MROUTOCAWJVGNY-AWEZNQCLSA-N 0 1 295.342 3.782 20 0 CHADMN CC[C@H](C(=O)OC(C)(C)C)N(C)CCCCC(F)(F)F ZINC000593115318 1127373814 /nfs/dbraw/zinc/37/38/14/1127373814.db2.gz CRTGRWMWQJZGQP-LLVKDONJSA-N 0 1 297.361 3.771 20 0 CHADMN Cc1cccc2nc(CN[C@H]3C[C@@H](C)c4ccccc43)cn21 ZINC000289169776 1127375796 /nfs/dbraw/zinc/37/57/96/1127375796.db2.gz HOTXTKBQAAKVEQ-ACJLOTCBSA-N 0 1 291.398 3.981 20 0 CHADMN C[C@@H]1CC[N@@H+](CCc2ccc3ccccc3c2)[C@@H](C(=O)[O-])C1 ZINC000574284507 1127381791 /nfs/dbraw/zinc/38/17/91/1127381791.db2.gz BNBYSQIOYJFCSU-RDTXWAMCSA-N 0 1 297.398 3.567 20 0 CHADMN Cc1cc(CN[C@H](C)c2nc(-c3ccccc3)cs2)n[nH]1 ZINC000593322670 1127382850 /nfs/dbraw/zinc/38/28/50/1127382850.db2.gz FSJLHFIFKAHXFJ-GFCCVEGCSA-N 0 1 298.415 3.692 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1ccn(C2CCCC2)n1 ZINC000357300848 1127389340 /nfs/dbraw/zinc/38/93/40/1127389340.db2.gz HZFCXAXXUNQGPE-OKILXGFUSA-N 0 1 261.413 3.761 20 0 CHADMN COCC[N@@H+](CCOc1ccccc1C)Cc1ccccc1 ZINC000058876337 1127397081 /nfs/dbraw/zinc/39/70/81/1127397081.db2.gz FZLKVUCAYHHNOS-UHFFFAOYSA-N 0 1 299.414 3.522 20 0 CHADMN OC[C@@H](N[C@@H]1CCCc2sccc21)c1cccc(F)c1 ZINC000358168094 1127405889 /nfs/dbraw/zinc/40/58/89/1127405889.db2.gz ZLAGOVJDZZEXFR-HUUCEWRRSA-N 0 1 291.391 3.588 20 0 CHADMN Fc1ccccc1SCCN1CC[C@H](C(F)(F)F)C1 ZINC000761044378 1127408350 /nfs/dbraw/zinc/40/83/50/1127408350.db2.gz JQHTWHNDAXAFGX-JTQLQIEISA-N 0 1 293.329 3.802 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)s1 ZINC000358238990 1127409945 /nfs/dbraw/zinc/40/99/45/1127409945.db2.gz GOFYNTVHFGXOLY-GHMZBOCLSA-N 0 1 292.452 3.964 20 0 CHADMN Cc1cccc2c1CC[C@H]2N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000358246109 1127410020 /nfs/dbraw/zinc/41/00/20/1127410020.db2.gz JKKSKOOIDZIPGS-IUODEOHRSA-N 0 1 284.407 3.575 20 0 CHADMN CC[C@@H](NC(=O)C(F)(F)C(F)F)c1ccc(Cl)cc1 ZINC000226600650 1127411619 /nfs/dbraw/zinc/41/16/19/1127411619.db2.gz XLTWDVGLVBOKPK-SECBINFHSA-N 0 1 297.679 3.808 20 0 CHADMN CSc1ccc(CN2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761050085 1127411911 /nfs/dbraw/zinc/41/19/11/1127411911.db2.gz BKTDJRMCUHWQQV-NSHDSACASA-N 0 1 275.339 3.793 20 0 CHADMN Cc1ccccc1C[C@@H](C)NCc1nnc(C(C)C)s1 ZINC000358280720 1127412803 /nfs/dbraw/zinc/41/28/03/1127412803.db2.gz BOJCQBWPFXOHOO-CYBMUJFWSA-N 0 1 289.448 3.691 20 0 CHADMN Cc1cc(CN[C@@H](CC(C)C)c2cccs2)ncn1 ZINC000358356733 1127416930 /nfs/dbraw/zinc/41/69/30/1127416930.db2.gz PTDJKMIOPPRREA-AWEZNQCLSA-N 0 1 275.421 3.724 20 0 CHADMN Cc1ccsc1[C@@H](CO)N[C@H](C)c1ccccc1F ZINC000358396709 1127418902 /nfs/dbraw/zinc/41/89/02/1127418902.db2.gz IBVYCXIFEGLWFF-BXUZGUMPSA-N 0 1 279.380 3.580 20 0 CHADMN CCCC1(C(=O)Nc2cc(C(C)=O)ccc2O)CCC1 ZINC000358525915 1127425117 /nfs/dbraw/zinc/42/51/17/1127425117.db2.gz CJERVRZNBLLTDF-UHFFFAOYSA-N 0 1 275.348 3.504 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C[C@H](C)CC(C)C)c1 ZINC000358532516 1127425252 /nfs/dbraw/zinc/42/52/52/1127425252.db2.gz SBMUONVRRFEXGK-LLVKDONJSA-N 0 1 277.364 3.606 20 0 CHADMN Clc1cccc(CN[C@H]2CCc3cccnc32)c1 ZINC000226819134 1127426975 /nfs/dbraw/zinc/42/69/75/1127426975.db2.gz QNPUTLZJYNZXGJ-AWEZNQCLSA-N 0 1 258.752 3.512 20 0 CHADMN Clc1ccc(CN[C@@H]2CCc3cccnc32)s1 ZINC000226821434 1127427186 /nfs/dbraw/zinc/42/71/86/1127427186.db2.gz YYNPKMNQIYXLGW-LLVKDONJSA-N 0 1 264.781 3.574 20 0 CHADMN Cc1ccccc1[C@@H](C)N(C)C(=O)c1cccc2n[nH]cc21 ZINC000358575066 1127428071 /nfs/dbraw/zinc/42/80/71/1127428071.db2.gz CUXXTNADJHUDLH-CYBMUJFWSA-N 0 1 293.370 3.705 20 0 CHADMN CC(C)C[C@H]1CCC[N@H+]1Cc1nc2ccc(F)cc2o1 ZINC000466833514 1127437604 /nfs/dbraw/zinc/43/76/04/1127437604.db2.gz GWHOSGXYPRHTLR-CYBMUJFWSA-N 0 1 276.355 3.977 20 0 CHADMN c1cc(CN[C@@H]2CCCc3nn(-c4ccccc4)cc32)co1 ZINC000358931930 1127439722 /nfs/dbraw/zinc/43/97/22/1127439722.db2.gz JOAXAOQSHAIAJE-QGZVFWFLSA-N 0 1 293.370 3.633 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cncc(F)c2)c(C)s1 ZINC000358984655 1127442159 /nfs/dbraw/zinc/44/21/59/1127442159.db2.gz DCEVBWJYGSJCFZ-JTQLQIEISA-N 0 1 264.369 3.750 20 0 CHADMN C[C@@H](NCc1ccc2ncccc2c1)c1ccc(F)cn1 ZINC000359038193 1127446082 /nfs/dbraw/zinc/44/60/82/1127446082.db2.gz QQMRALPNDBHZNE-GFCCVEGCSA-N 0 1 281.334 3.620 20 0 CHADMN CCCN1C(=O)N=NC1SCc1ccc(C(F)F)cc1 ZINC000359032694 1127445573 /nfs/dbraw/zinc/44/55/73/1127445573.db2.gz QDPJBQLVXGTZKB-UHFFFAOYSA-N 0 1 299.346 3.624 20 0 CHADMN Cc1cc2[nH]c(CNCc3ccoc3)cc2c(C)c1 ZINC000359072325 1127447394 /nfs/dbraw/zinc/44/73/94/1127447394.db2.gz RISBTONDOWEKSM-UHFFFAOYSA-N 0 1 254.333 3.668 20 0 CHADMN C[C@@H](CSCCF)NCc1cc(-c2ccccc2)on1 ZINC000595036563 1127449811 /nfs/dbraw/zinc/44/98/11/1127449811.db2.gz JNUGJRIYYXACNL-LBPRGKRZSA-N 0 1 294.395 3.522 20 0 CHADMN COc1cccc(Cl)c1CN[C@@H](C)CSCCF ZINC000595039838 1127450720 /nfs/dbraw/zinc/45/07/20/1127450720.db2.gz GWHVZSHZHWQROP-JTQLQIEISA-N 0 1 291.819 3.529 20 0 CHADMN CC(C)[C@H](NCc1ccoc1)c1ccc2[nH]c(=O)oc2c1 ZINC000359287773 1127456768 /nfs/dbraw/zinc/45/67/68/1127456768.db2.gz LHGZNHGSVMVPPT-HNNXBMFYSA-N 0 1 286.331 3.613 20 0 CHADMN Cc1ccc2nc(CN[C@H](c3cccnc3)C(C)C)cn2c1 ZINC000359390845 1127461203 /nfs/dbraw/zinc/46/12/03/1127461203.db2.gz OOJGXZNZBUWLAG-SFHVURJKSA-N 0 1 294.402 3.525 20 0 CHADMN c1ccc2sc(=NC[C@H]3CCOc4ccccc43)[nH]c2c1 ZINC000595536549 1127464023 /nfs/dbraw/zinc/46/40/23/1127464023.db2.gz KOANMXUQCLTIHG-GFCCVEGCSA-N 0 1 296.395 3.696 20 0 CHADMN Cc1ccc2nc(CNc3cc4c(cn3)CCCC4)cn2c1 ZINC000359469318 1127464221 /nfs/dbraw/zinc/46/42/21/1127464221.db2.gz GMJHSMBRVGHORX-UHFFFAOYSA-N 0 1 292.386 3.529 20 0 CHADMN c1ccc([C@H]2C[C@@H]2CSCc2n[nH]c(C3CC3)n2)cc1 ZINC000359503275 1127464832 /nfs/dbraw/zinc/46/48/32/1127464832.db2.gz HDWHREKGGYCPAE-ZIAGYGMSSA-N 0 1 285.416 3.719 20 0 CHADMN CC(C)OC(=O)CCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595676595 1127472165 /nfs/dbraw/zinc/47/21/65/1127472165.db2.gz QEKVEYYLUFKYNK-MRXNPFEDSA-N 0 1 291.391 3.538 20 0 CHADMN CN(C)c1cccc(CNCc2ccsc2Cl)c1 ZINC000359748691 1127476898 /nfs/dbraw/zinc/47/68/98/1127476898.db2.gz NFKGFFBYYYTIOO-UHFFFAOYSA-N 0 1 280.824 3.757 20 0 CHADMN CCc1ncc(CN[C@@H]2CCCc3c(O)cccc32)s1 ZINC000359811323 1127478669 /nfs/dbraw/zinc/47/86/69/1127478669.db2.gz DKPZBVXJKUQDDF-CQSZACIVSA-N 0 1 288.416 3.578 20 0 CHADMN COc1ccsc1CN[C@@H]1CCCc2c(O)cccc21 ZINC000359826717 1127479634 /nfs/dbraw/zinc/47/96/34/1127479634.db2.gz AKQZJSUMPHJNLW-CYBMUJFWSA-N 0 1 289.400 3.630 20 0 CHADMN COc1cc(C)c([C@@H](C)N2CCOC3(CCC3)C2)cc1C ZINC000682072905 1127481501 /nfs/dbraw/zinc/48/15/01/1127481501.db2.gz OESIARSSUOVMRK-OAHLLOKOSA-N 0 1 289.419 3.628 20 0 CHADMN Cc1cc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cc(C)c1OC(C)C ZINC001238753860 1131239606 /nfs/dbraw/zinc/23/96/06/1131239606.db2.gz SSWXNXZSGXJHQH-YESZJQIVSA-N 0 1 291.410 3.880 20 0 CHADMN CC1(C)CN(Cc2cc(O)cc(Cl)c2)[C@H]1C1CC1 ZINC001308799880 1127486317 /nfs/dbraw/zinc/48/63/17/1127486317.db2.gz BVEGSCSNGRMXKZ-AWEZNQCLSA-N 0 1 265.784 3.666 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc2ccccc2o1 ZINC000360418237 1127499071 /nfs/dbraw/zinc/49/90/71/1127499071.db2.gz XVNQJKWAICLLGB-UHFFFAOYSA-N 0 1 291.310 3.870 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C[C@@H]1CCC[C@@H]1C ZINC000360433168 1127499117 /nfs/dbraw/zinc/49/91/17/1127499117.db2.gz GTFYKPBUJWPRFA-JQWIXIFHSA-N 0 1 271.364 3.636 20 0 CHADMN C[C@@H]1CCCC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000360612402 1127502496 /nfs/dbraw/zinc/50/24/96/1127502496.db2.gz JEUQOTYRLCCSPK-CQSZACIVSA-N 0 1 261.413 3.620 20 0 CHADMN C[C@@H]1CCCCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000360612402 1127502497 /nfs/dbraw/zinc/50/24/97/1127502497.db2.gz JEUQOTYRLCCSPK-CQSZACIVSA-N 0 1 261.413 3.620 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(C)c(C)c2)nc1 ZINC001231642952 1127504430 /nfs/dbraw/zinc/50/44/30/1127504430.db2.gz VQCICUDCYSHWAM-UHFFFAOYSA-N 0 1 268.404 3.893 20 0 CHADMN Cc1cc(N(C)Cc2ccoc2)c2cc(F)ccc2n1 ZINC000360685508 1127506339 /nfs/dbraw/zinc/50/63/39/1127506339.db2.gz MCQJUTSEEDCOOU-UHFFFAOYSA-N 0 1 270.307 3.912 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@H](C(F)(F)F)[C@H]2C)s1 ZINC000360737506 1127508364 /nfs/dbraw/zinc/50/83/64/1127508364.db2.gz MMODQNGFCJLURP-KOLCDFICSA-N 0 1 292.370 3.923 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1CCCc2cc(F)ccc21 ZINC000293651315 1127510911 /nfs/dbraw/zinc/51/09/11/1127510911.db2.gz HWBBJLQQZNUPGD-QGZVFWFLSA-N 0 1 288.366 3.852 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccccn1)c1ccc(C(=O)OC)cc1 ZINC000293661955 1127511438 /nfs/dbraw/zinc/51/14/38/1127511438.db2.gz JHHGQAAXABMUQC-XJKSGUPXSA-N 0 1 298.386 3.670 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccccn1)c1ccc(C(=O)OC)cc1 ZINC000293661915 1127511610 /nfs/dbraw/zinc/51/16/10/1127511610.db2.gz JHHGQAAXABMUQC-BBRMVZONSA-N 0 1 298.386 3.670 20 0 CHADMN CCc1noc(C)c1CN[C@@H](CC)c1ccc(F)cc1 ZINC000293699048 1127513552 /nfs/dbraw/zinc/51/35/52/1127513552.db2.gz LXTHQJHUYAOVNB-HNNXBMFYSA-N 0 1 276.355 3.925 20 0 CHADMN CCOc1ncccc1CN[C@H](c1cccnc1)C1CCC1 ZINC000360837787 1127514517 /nfs/dbraw/zinc/51/45/17/1127514517.db2.gz RJTZSWYSDCGQGZ-KRWDZBQOSA-N 0 1 297.402 3.506 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1nc3ccccc3n1C)CC2 ZINC000596690603 1127514899 /nfs/dbraw/zinc/51/48/99/1127514899.db2.gz PFINNJFVJDXOFY-MRXNPFEDSA-N 0 1 291.398 3.659 20 0 CHADMN CCC[C@@H](NCc1c(C)onc1CC)c1cccnc1 ZINC000293777320 1127520025 /nfs/dbraw/zinc/52/00/25/1127520025.db2.gz SQPLMUPXFGROBT-MRXNPFEDSA-N 0 1 273.380 3.571 20 0 CHADMN C[Si](C)(C)CSc1nc(-c2ccccc2F)n[nH]1 ZINC000199527799 1127520067 /nfs/dbraw/zinc/52/00/67/1127520067.db2.gz FIFCXAMYIAXBGE-UHFFFAOYSA-N 0 1 281.432 3.580 20 0 CHADMN Cc1nc([C@H](C)N[C@H]2CCCO[C@H]2CC(C)C)cs1 ZINC000360984610 1127525902 /nfs/dbraw/zinc/52/59/02/1127525902.db2.gz FHTCPIBZTKPNGK-WHOFXGATSA-N 0 1 282.453 3.696 20 0 CHADMN CO[C@@](C)(CN[C@H](C)c1csc(C(C)C)n1)C1CC1 ZINC000361000293 1127528539 /nfs/dbraw/zinc/52/85/39/1127528539.db2.gz YQKPEKQPICHCGM-ABAIWWIYSA-N 0 1 282.453 3.732 20 0 CHADMN Cc1nc([C@@H]2CCCN2Cc2cccc3c[nH]nc32)cs1 ZINC000361055597 1127534230 /nfs/dbraw/zinc/53/42/30/1127534230.db2.gz SRCAQFXFFXSRIQ-HNNXBMFYSA-N 0 1 298.415 3.665 20 0 CHADMN COC(=O)c1coc(CN[C@H]2CCCc3c(C)cccc32)c1 ZINC000597239907 1127535447 /nfs/dbraw/zinc/53/54/47/1127535447.db2.gz NQDVPQRUSPUGJB-KRWDZBQOSA-N 0 1 299.370 3.542 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCC2)o1 ZINC000293947250 1127535566 /nfs/dbraw/zinc/53/55/66/1127535566.db2.gz OSSPFDWRCLOWDO-KRWDZBQOSA-N 0 1 285.387 3.582 20 0 CHADMN CSC1(CNCC(F)(F)C(C)(C)C)CCC1 ZINC000597233285 1127535577 /nfs/dbraw/zinc/53/55/77/1127535577.db2.gz BDXPICTUCDZVNB-UHFFFAOYSA-N 0 1 251.386 3.543 20 0 CHADMN COc1ccccc1OCCN1Cc2ccccc2[C@@H]1C ZINC000361073403 1127535648 /nfs/dbraw/zinc/53/56/48/1127535648.db2.gz NTEIFOPRZZRJPZ-AWEZNQCLSA-N 0 1 283.371 3.651 20 0 CHADMN CC[C@]1(C)COCCN1Cc1cc(C)c2ncccc2c1 ZINC000361155014 1127542647 /nfs/dbraw/zinc/54/26/47/1127542647.db2.gz OJZJVYAXSNOSEW-GOSISDBHSA-N 0 1 284.403 3.544 20 0 CHADMN Cc1csc(CN2CC[C@@](C)(c3ccc(F)cc3)C2)n1 ZINC000361183556 1127545668 /nfs/dbraw/zinc/54/56/68/1127545668.db2.gz XYQBZKIGHLYXGQ-MRXNPFEDSA-N 0 1 290.407 3.754 20 0 CHADMN CCN(Cc1c(Cl)oc2ccccc21)[C@H]1CCOC1 ZINC000361239174 1127549079 /nfs/dbraw/zinc/54/90/79/1127549079.db2.gz XZVGRWWTMXGTPA-NSHDSACASA-N 0 1 279.767 3.697 20 0 CHADMN CC(C)O[C@@H]1C[C@H](NCc2csc(C(C)C)n2)C1(C)C ZINC000361236879 1127549530 /nfs/dbraw/zinc/54/95/30/1127549530.db2.gz LYTLFQFSYYEUFZ-UONOGXRCSA-N 0 1 296.480 3.948 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2cncc(C(F)(F)F)c2)C1 ZINC000361309990 1127555535 /nfs/dbraw/zinc/55/55/35/1127555535.db2.gz ROSQNOQCDLSTFM-GHMZBOCLSA-N 0 1 272.314 3.721 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc(-n3ccnc3)c2)o1 ZINC000361480099 1127566274 /nfs/dbraw/zinc/56/62/74/1127566274.db2.gz BKWVMZXLWJRQAG-AWEZNQCLSA-N 0 1 281.359 3.625 20 0 CHADMN CC(C)C[C@H](N)c1noc(/C=C\c2ccc(Cl)cc2)n1 ZINC000361600599 1127575092 /nfs/dbraw/zinc/57/50/92/1127575092.db2.gz JWNWJUFKAZPSEL-UJZCVKTISA-N 0 1 291.782 3.939 20 0 CHADMN CN(Cc1nccn1-c1ccccc1)C[C@H]1CC=CCC1 ZINC000361593509 1127575749 /nfs/dbraw/zinc/57/57/49/1127575749.db2.gz IMEISSHNJJADJU-INIZCTEOSA-N 0 1 281.403 3.660 20 0 CHADMN CCN(C)c1ccc(CN2CCc3ccccc3[C@H]2C)cn1 ZINC000361557339 1127571375 /nfs/dbraw/zinc/57/13/75/1127571375.db2.gz PYZZKINCJVQWCN-OAHLLOKOSA-N 0 1 295.430 3.657 20 0 CHADMN CN(Cc1ccc(OCC2CC2)cc1)Cc1ccccn1 ZINC000361582534 1127574461 /nfs/dbraw/zinc/57/44/61/1127574461.db2.gz JPHPRMNCLCUDAP-UHFFFAOYSA-N 0 1 282.387 3.502 20 0 CHADMN COCCN(Cc1csc(C2CC2)n1)[C@H]1CC[C@@H](C)C1 ZINC000361640746 1127577916 /nfs/dbraw/zinc/57/79/16/1127577916.db2.gz VNWBSYXFTDRJAS-DOMZBBRYSA-N 0 1 294.464 3.658 20 0 CHADMN C[C@H]1CCSCCN1Cc1cc(Cl)cc2c1OCC2 ZINC000361635991 1127578267 /nfs/dbraw/zinc/57/82/67/1127578267.db2.gz GXACKIFEWAFQPH-NSHDSACASA-N 0 1 297.851 3.602 20 0 CHADMN Cc1ccc(C)c(N2CCN([C@H](C)c3cccnc3)CC2)c1 ZINC000361694784 1127582570 /nfs/dbraw/zinc/58/25/70/1127582570.db2.gz ZYHZKOWDTWMDIF-QGZVFWFLSA-N 0 1 295.430 3.582 20 0 CHADMN CC[C@H](N[C@@H]1CSc2ccccc21)c1ccncc1 ZINC000361765693 1127588047 /nfs/dbraw/zinc/58/80/47/1127588047.db2.gz PTCJLRYDZFQZMF-LSDHHAIUSA-N 0 1 270.401 3.969 20 0 CHADMN C[C@@H](NC/C=C\C1CC1)c1cc(-c2ccccc2)n(C)n1 ZINC001118863074 1131239977 /nfs/dbraw/zinc/23/99/77/1131239977.db2.gz GRYBKELGUDOZKH-LMVHVUTASA-N 0 1 281.403 3.704 20 0 CHADMN CC[C@H](NCc1cc(F)ccc1SC)c1cnn(C)c1 ZINC000361811320 1127590978 /nfs/dbraw/zinc/59/09/78/1127590978.db2.gz JCDZBGXUCIUMCH-AWEZNQCLSA-N 0 1 293.411 3.522 20 0 CHADMN c1ccc(C2CC2)c(CN2C[C@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000646295990 1127592797 /nfs/dbraw/zinc/59/27/97/1127592797.db2.gz HJEDEVDOPFJPAI-RTBURBONSA-N 0 1 283.415 3.707 20 0 CHADMN C[C@H](NCc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC000294721827 1127594065 /nfs/dbraw/zinc/59/40/65/1127594065.db2.gz FMTJIQMEDDGKQN-NSHDSACASA-N 0 1 280.293 3.951 20 0 CHADMN Fc1cc(CN[C@H](c2ccccc2)C2CC2)c(F)cn1 ZINC000294749562 1127596296 /nfs/dbraw/zinc/59/62/96/1127596296.db2.gz KQSKBFMWRMVBSU-MRXNPFEDSA-N 0 1 274.314 3.601 20 0 CHADMN CCO[C@H]1CCCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000602579177 1127596348 /nfs/dbraw/zinc/59/63/48/1127596348.db2.gz XTZNFUDPCZSUFS-YPMHNXCESA-N 0 1 269.335 3.527 20 0 CHADMN Fc1cccc(F)c1CN(CCC1CC1)C1CC1 ZINC000361928496 1127600230 /nfs/dbraw/zinc/60/02/30/1127600230.db2.gz VJLNVKZTEMOSBH-UHFFFAOYSA-N 0 1 251.320 3.729 20 0 CHADMN Cc1cnc(CNC[C@@H](Nc2ccccc2)C(C)C)s1 ZINC000294819522 1127601646 /nfs/dbraw/zinc/60/16/46/1127601646.db2.gz RDVAZPPGTSOAEQ-OAHLLOKOSA-N 0 1 289.448 3.678 20 0 CHADMN CC(C)c1nc(CNCc2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000294778922 1127598389 /nfs/dbraw/zinc/59/83/89/1127598389.db2.gz KVONTKPVUHYFRF-UHFFFAOYSA-N 0 1 286.423 3.515 20 0 CHADMN Cc1cc(F)ccc1CNCc1cccc(C(F)(F)F)n1 ZINC000294837449 1127603166 /nfs/dbraw/zinc/60/31/66/1127603166.db2.gz QSEQYLDIEKVFTO-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN COc1ccc(CNCc2cccc(C)c2F)cc1F ZINC000294859240 1127604532 /nfs/dbraw/zinc/60/45/32/1127604532.db2.gz VPMPJPFZBNBGHM-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN CCC[C@H](CN1CCC[C@H]1c1ncon1)c1ccccc1 ZINC000362041815 1127607490 /nfs/dbraw/zinc/60/74/90/1127607490.db2.gz AOLRJVIKVXBTRB-CVEARBPZSA-N 0 1 285.391 3.790 20 0 CHADMN Cc1ccc(F)cc1CNCc1ccnc(C(F)(F)F)c1 ZINC000294923261 1127608400 /nfs/dbraw/zinc/60/84/00/1127608400.db2.gz BAVZMGSDJWOYFR-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN CCn1cc([C@H](C)NCc2ccc(C)c(Cl)c2)cn1 ZINC000294929666 1127609096 /nfs/dbraw/zinc/60/90/96/1127609096.db2.gz UJOMPQGCWUVPLB-LBPRGKRZSA-N 0 1 277.799 3.716 20 0 CHADMN CSC1CCN(Cc2ccsc2Cl)CC1 ZINC000602724240 1127609340 /nfs/dbraw/zinc/60/93/40/1127609340.db2.gz BCRXGOCAYRKKFU-UHFFFAOYSA-N 0 1 261.843 3.729 20 0 CHADMN FCC1CCN(Cc2ccc(CSC(F)F)o2)CC1 ZINC000294949482 1127610319 /nfs/dbraw/zinc/61/03/19/1127610319.db2.gz CWLVPEQRAINZLM-UHFFFAOYSA-N 0 1 293.354 3.917 20 0 CHADMN CC[C@@H]1CCC[C@H](NCc2ncc(C(F)(F)F)cn2)C1 ZINC000294962710 1127610831 /nfs/dbraw/zinc/61/08/31/1127610831.db2.gz ILRGGHRUBCCJEY-PWSUYJOCSA-N 0 1 287.329 3.554 20 0 CHADMN CCCc1nc(CN(CCOC)[C@@H]2CC[C@@H](C)C2)cs1 ZINC000362153821 1127616111 /nfs/dbraw/zinc/61/61/11/1127616111.db2.gz GDPAPKSXLOPDKT-UKRRQHHQSA-N 0 1 296.480 3.733 20 0 CHADMN CC(C)(C)CC[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000602860901 1127617635 /nfs/dbraw/zinc/61/76/35/1127617635.db2.gz FFEMMLOWYRVPOZ-UHFFFAOYSA-N 0 1 289.419 3.723 20 0 CHADMN FC(F)(F)c1cnc(CN[C@@H]2CCC[C@@H](C3CC3)C2)nc1 ZINC000294990110 1127612888 /nfs/dbraw/zinc/61/28/88/1127612888.db2.gz KNHOTIXZUXDNJI-DGCLKSJQSA-N 0 1 299.340 3.554 20 0 CHADMN C[C@H](NCc1ncc(C(F)(F)F)cn1)C1CCCCC1 ZINC000295080402 1127618893 /nfs/dbraw/zinc/61/88/93/1127618893.db2.gz RZGZRHYBVPUKML-JTQLQIEISA-N 0 1 287.329 3.554 20 0 CHADMN COc1ccc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)cc1Cl ZINC000295076146 1127618906 /nfs/dbraw/zinc/61/89/06/1127618906.db2.gz RNGFYUPJNFEHHJ-HNNXBMFYSA-N 0 1 297.826 3.596 20 0 CHADMN COc1ccc(CN2CC[C@H](OC)C(C)(C)C2)cc1Cl ZINC000295076146 1127618908 /nfs/dbraw/zinc/61/89/08/1127618908.db2.gz RNGFYUPJNFEHHJ-HNNXBMFYSA-N 0 1 297.826 3.596 20 0 CHADMN CC(=O)c1cccc(CN2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000295075262 1127619037 /nfs/dbraw/zinc/61/90/37/1127619037.db2.gz QOSZRRFSDUIEEV-IRXDYDNUSA-N 0 1 289.444 3.749 20 0 CHADMN CCC1(CC)CN(Cc2ncc(C)s2)CCS1 ZINC000362258536 1127623881 /nfs/dbraw/zinc/62/38/81/1127623881.db2.gz PNVHNDNHZLQQGH-UHFFFAOYSA-N 0 1 270.467 3.559 20 0 CHADMN CC1(C)CCCN(Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000602881127 1127619108 /nfs/dbraw/zinc/61/91/08/1127619108.db2.gz RQPJRDWVZLEBOA-UHFFFAOYSA-N 0 1 287.382 3.633 20 0 CHADMN CC1(C)CN(CCc2cscn2)[C@H]1c1cccs1 ZINC000295150324 1127623944 /nfs/dbraw/zinc/62/39/44/1127623944.db2.gz BKIYJCGVAUMLQV-ZDUSSCGKSA-N 0 1 278.446 3.830 20 0 CHADMN CC[C@]1(C)CCCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000362261958 1127623949 /nfs/dbraw/zinc/62/39/49/1127623949.db2.gz IQCGACIVDACTDZ-QGZVFWFLSA-N 0 1 285.391 3.524 20 0 CHADMN Cc1ncc(CN2CC3(C2)CCCC3)n1-c1ccccc1 ZINC000362307806 1127626943 /nfs/dbraw/zinc/62/69/43/1127626943.db2.gz ASHUSOZESZIFKJ-UHFFFAOYSA-N 0 1 281.403 3.557 20 0 CHADMN Cc1ccc([C@H](N[C@H]2C[C@@H](C)n3ccnc32)C2CC2)cc1 ZINC000295301099 1127633388 /nfs/dbraw/zinc/63/33/88/1127633388.db2.gz VCJKVSZYEWYYQE-COXVUDFISA-N 0 1 281.403 3.938 20 0 CHADMN Cc1nocc1CN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000295293793 1127633434 /nfs/dbraw/zinc/63/34/34/1127633434.db2.gz JHAAGFDYJATOFN-MEDUHNTESA-N 0 1 274.339 3.705 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1C[C@@H](C)CC[C@H]1C ZINC000362421225 1127634550 /nfs/dbraw/zinc/63/45/50/1127634550.db2.gz RCNKUIYHZDEFRA-QWHCGFSZSA-N 0 1 289.398 3.816 20 0 CHADMN Cc1nocc1CN1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000295396427 1127640310 /nfs/dbraw/zinc/64/03/10/1127640310.db2.gz QIMBBKIEPMGHII-BDJLRTHQSA-N 0 1 274.339 3.705 20 0 CHADMN C[C@H]1CCc2ccccc2[C@@H]1NCc1cc(F)ncc1F ZINC000295393545 1127640483 /nfs/dbraw/zinc/64/04/83/1127640483.db2.gz LNJJPYWMHRRYQW-APPDUMDISA-N 0 1 288.341 3.773 20 0 CHADMN Cc1ncc(CN[C@H](C)c2ccc3ncsc3c2)s1 ZINC000362517954 1127641683 /nfs/dbraw/zinc/64/16/83/1127641683.db2.gz GGGOTSMPOOEJPZ-SECBINFHSA-N 0 1 289.429 3.912 20 0 CHADMN COCC[C@@H](NCc1csc(C)c1)c1ccco1 ZINC000295568828 1127646816 /nfs/dbraw/zinc/64/68/16/1127646816.db2.gz ZSNFGSSVCRUGOD-CYBMUJFWSA-N 0 1 265.378 3.517 20 0 CHADMN CC(C)=CCC[C@H](C)NC(=O)c1c[nH]c2ccccc2c1=O ZINC000295599332 1127647761 /nfs/dbraw/zinc/64/77/61/1127647761.db2.gz LCZJAPYXEAUNTC-ZDUSSCGKSA-N 0 1 298.386 3.805 20 0 CHADMN Cc1cccc([C@H](N[C@@H]2C[C@@H](C)O[C@H]2C)c2ccccn2)c1 ZINC000295723743 1127651224 /nfs/dbraw/zinc/65/12/24/1127651224.db2.gz OHFVTHULLSZRHZ-OHQAAIJDSA-N 0 1 296.414 3.635 20 0 CHADMN CCC[C@@H](CC1CCCCC1)C(=O)NCc1cc(C)[nH]n1 ZINC000603487950 1127653125 /nfs/dbraw/zinc/65/31/25/1127653125.db2.gz KSWSLUPCWJDEDZ-HNNXBMFYSA-N 0 1 291.439 3.721 20 0 CHADMN CC1(C)C[C@@H](NCc2cc(F)ncc2F)c2ccccc21 ZINC000295812922 1127653446 /nfs/dbraw/zinc/65/34/46/1127653446.db2.gz UFCLVIUIQYMEPF-OAHLLOKOSA-N 0 1 288.341 3.872 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCOc2ccccc2C1 ZINC000603493350 1127654723 /nfs/dbraw/zinc/65/47/23/1127654723.db2.gz PCPSKKVZUKKBNY-UHFFFAOYSA-N 0 1 294.329 3.773 20 0 CHADMN COc1ccc([C@H](N[C@@H]2C[C@@H](C)n3ccnc32)C(C)C)cc1 ZINC000295972350 1127659020 /nfs/dbraw/zinc/65/90/20/1127659020.db2.gz MUALJEPPULCFJA-KBRIMQKVSA-N 0 1 299.418 3.884 20 0 CHADMN Oc1cccc(CN[C@@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000296125350 1127663883 /nfs/dbraw/zinc/66/38/83/1127663883.db2.gz UCEVMUXIYYEPCX-QGZVFWFLSA-N 0 1 289.325 3.838 20 0 CHADMN C[C@@H](NCc1nccc(C(F)F)n1)[C@H]1CCCC[C@H]1C ZINC000296140340 1127663258 /nfs/dbraw/zinc/66/32/58/1127663258.db2.gz VBYMJUAEESLEJV-UTUOFQBUSA-N 0 1 283.366 3.719 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H](c1ccccc1)C(C)C ZINC000296135460 1127663422 /nfs/dbraw/zinc/66/34/22/1127663422.db2.gz VYGHHLYXECSBTI-HOCLYGCPSA-N 0 1 271.408 3.951 20 0 CHADMN Cc1cccc(C)c1OC[C@H](C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000296158488 1127664451 /nfs/dbraw/zinc/66/44/51/1127664451.db2.gz XDCBFGIENHJLQU-JYJNAYRXSA-N 0 1 299.418 3.563 20 0 CHADMN CO[C@@H]1CCN([C@@H](C)c2nc3ccccc3o2)CC1(C)C ZINC000296171949 1127664527 /nfs/dbraw/zinc/66/45/27/1127664527.db2.gz UYZNVMFKSWCDBC-SWLSCSKDSA-N 0 1 288.391 3.636 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000296233788 1127665951 /nfs/dbraw/zinc/66/59/51/1127665951.db2.gz CEUFMNSTNXLJQF-CKEIUWERSA-N 0 1 282.387 3.953 20 0 CHADMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ncccc2Cl)C1 ZINC000599304127 1127666946 /nfs/dbraw/zinc/66/69/46/1127666946.db2.gz WZRAEUJXRKQHJV-VXGBXAGGSA-N 0 1 284.856 3.841 20 0 CHADMN CCS[C@@H]1CC[C@@H](N(C)Cc2ncccc2Cl)C1 ZINC000599304127 1127666949 /nfs/dbraw/zinc/66/69/49/1127666949.db2.gz WZRAEUJXRKQHJV-VXGBXAGGSA-N 0 1 284.856 3.841 20 0 CHADMN CC[C@@H](NCc1cccnc1N)c1ccc(Cl)cc1 ZINC000296279476 1127667503 /nfs/dbraw/zinc/66/75/03/1127667503.db2.gz KVRUETFIAGUNAK-CQSZACIVSA-N 0 1 275.783 3.558 20 0 CHADMN C[C@@H](NC/C=C/C1CC1)c1cc(-c2ccccc2)n(C)n1 ZINC001118863075 1131240071 /nfs/dbraw/zinc/24/00/71/1131240071.db2.gz GRYBKELGUDOZKH-PSKZRQQASA-N 0 1 281.403 3.704 20 0 CHADMN C[C@@H](NC(=O)[C@@H]1CCCCN1C)c1cccc2ccccc21 ZINC000599389388 1127670624 /nfs/dbraw/zinc/67/06/24/1127670624.db2.gz QWUZXKDJPMAXEQ-KDOFPFPSSA-N 0 1 296.414 3.501 20 0 CHADMN CCC[C@H](C)CCCN[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000599440167 1127671705 /nfs/dbraw/zinc/67/17/05/1127671705.db2.gz MFQJPRZDZXOUDF-RYUDHWBXSA-N 0 1 298.452 3.797 20 0 CHADMN CCCC[C@@H](NCc1n[nH]c(C(C)C)n1)c1ccccc1 ZINC000296506213 1127673721 /nfs/dbraw/zinc/67/37/21/1127673721.db2.gz PHBWEPUWXPMJLX-OAHLLOKOSA-N 0 1 286.423 3.949 20 0 CHADMN c1cc2cc(N[C@@H]3CCOC4(CCC4)C3)ccc2cn1 ZINC000296520762 1127674419 /nfs/dbraw/zinc/67/44/19/1127674419.db2.gz KSALQKNQYNSHMO-MRXNPFEDSA-N 0 1 268.360 3.748 20 0 CHADMN CCC[C@@H](C)N(C)Cc1cnc(Br)s1 ZINC000296554521 1127676095 /nfs/dbraw/zinc/67/60/95/1127676095.db2.gz PBCZSHIXKWVXOX-MRVPVSSYSA-N 0 1 277.231 3.526 20 0 CHADMN COc1c(CN2CC[C@H]2C)cccc1OCc1ccccc1 ZINC001238747552 1131240219 /nfs/dbraw/zinc/24/02/19/1131240219.db2.gz YCRIHDVUAOMEFM-OAHLLOKOSA-N 0 1 297.398 3.868 20 0 CHADMN C[C@@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1cccnc1 ZINC000296654809 1127681138 /nfs/dbraw/zinc/68/11/38/1127681138.db2.gz ZFZPOAOOKMNETP-XJKCOSOUSA-N 0 1 268.360 3.645 20 0 CHADMN CC(=O)c1ccc(CN2CCC[C@H]2c2cccn2C)cc1 ZINC000296710378 1127681905 /nfs/dbraw/zinc/68/19/05/1127681905.db2.gz GKYLYOCKYLUSES-SFHVURJKSA-N 0 1 282.387 3.565 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1Cc1nc(C2CC2)no1 ZINC000296640527 1127680319 /nfs/dbraw/zinc/68/03/19/1127680319.db2.gz IIQLTTUMUMNACC-IOASZLSFSA-N 0 1 297.402 3.714 20 0 CHADMN C[C@H]1CCN(Cc2cccc(Cl)c2Br)C1 ZINC000719485449 1127684299 /nfs/dbraw/zinc/68/42/99/1127684299.db2.gz UHZQTZMSJLYOJO-VIFPVBQESA-N 0 1 288.616 3.944 20 0 CHADMN C[C@@H](N[C@@H]1Cc2ccc(Cl)cc2C1)c1cscn1 ZINC000669705269 1127684891 /nfs/dbraw/zinc/68/48/91/1127684891.db2.gz VQIBNTQAQYRULM-NOZJJQNGSA-N 0 1 278.808 3.615 20 0 CHADMN CC[C@H](NCc1cc(C)n[nH]1)c1ccc(Cl)s1 ZINC000603949221 1127685000 /nfs/dbraw/zinc/68/50/00/1127685000.db2.gz BGEVTCOJHUGPNU-JTQLQIEISA-N 0 1 269.801 3.674 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000297149728 1127689382 /nfs/dbraw/zinc/68/93/82/1127689382.db2.gz OGHINBHETKSYDG-KHQFGBGNSA-N 0 1 285.338 3.667 20 0 CHADMN C[C@@H]1C[C@@H](N[C@@H]2CC(C)(C)c3ccccc32)c2nccn21 ZINC000297135212 1127689198 /nfs/dbraw/zinc/68/91/98/1127689198.db2.gz ZEZKNLDUJYNDKR-DAXOMENPSA-N 0 1 281.403 3.901 20 0 CHADMN CC(C)Oc1c(CN2CCC[C@@H]3C[C@@H]32)ccc(F)c1F ZINC001238747514 1131240319 /nfs/dbraw/zinc/24/03/19/1131240319.db2.gz NUQYMFRUMGWPDS-RISCZKNCSA-N 0 1 281.346 3.736 20 0 CHADMN Cc1cccc2nc(C[N@@H+]3CCC[C@H](C(C)C)CC3)cn21 ZINC000604055130 1127691549 /nfs/dbraw/zinc/69/15/49/1127691549.db2.gz KJJFONSSXHQGKT-INIZCTEOSA-N 0 1 285.435 3.901 20 0 CHADMN C[C@@H](NCC1=CCCCC1)c1cccnc1Cl ZINC000297378663 1127694929 /nfs/dbraw/zinc/69/49/29/1127694929.db2.gz QXADSAKPAXDBFV-LLVKDONJSA-N 0 1 250.773 3.886 20 0 CHADMN C[C@@H](NCCC(C)(F)F)c1ncc(Br)s1 ZINC000297402860 1127695181 /nfs/dbraw/zinc/69/51/81/1127695181.db2.gz SPNRKONLCFNGFZ-ZCFIWIBFSA-N 0 1 299.184 3.602 20 0 CHADMN Cc1cnc(C[N@H+](C)[C@H]2CCC[C@H]2c2ccccc2)o1 ZINC000297450636 1127696837 /nfs/dbraw/zinc/69/68/37/1127696837.db2.gz HAXYYTIZGNTNGR-HOTGVXAUSA-N 0 1 270.376 3.751 20 0 CHADMN C[C@H](CN[C@@H]1C[C@H](C)n2ccnc21)Sc1ccccc1 ZINC000297524148 1127698629 /nfs/dbraw/zinc/69/86/29/1127698629.db2.gz DFGKTBHRVZYDCW-GZBFAFLISA-N 0 1 287.432 3.659 20 0 CHADMN C[C@H](N[C@@H]1CCn2ccnc21)c1cc2ccccc2s1 ZINC000297581200 1127701176 /nfs/dbraw/zinc/70/11/76/1127701176.db2.gz HDOFHCOCJGWNIQ-WCQYABFASA-N 0 1 283.400 3.893 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H](CCC(C)C)C(C)(C)C)c1C ZINC000604363913 1127702486 /nfs/dbraw/zinc/70/24/86/1127702486.db2.gz FWGAVVQGDMKMKD-ZDUSSCGKSA-N 0 1 279.428 3.607 20 0 CHADMN C[C@H](CC1CCCCC1)c1nc([C@@H]2CCCN2)no1 ZINC001326209282 1127704256 /nfs/dbraw/zinc/70/42/56/1127704256.db2.gz SACZWQYWFZNMGV-YPMHNXCESA-N 0 1 263.385 3.568 20 0 CHADMN CC[C@@H]1CCN1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000297820660 1127709719 /nfs/dbraw/zinc/70/97/19/1127709719.db2.gz QMJJDFNETDGCBU-SECBINFHSA-N 0 1 294.305 3.517 20 0 CHADMN Clc1cccc(CN2CCC(c3ccncn3)CC2)c1 ZINC000298050606 1127713917 /nfs/dbraw/zinc/71/39/17/1127713917.db2.gz FDXQNQCEPXJNJV-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN CCOC1(C)CCN([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000298210503 1127715996 /nfs/dbraw/zinc/71/59/96/1127715996.db2.gz DMFWEVJYFCPJOU-GFCCVEGCSA-N 0 1 283.362 3.917 20 0 CHADMN Clc1ncccc1CN(C1CC1)C1CCCC1 ZINC000171616247 1127717403 /nfs/dbraw/zinc/71/74/03/1127717403.db2.gz UDZOGHLQJCJRNC-UHFFFAOYSA-N 0 1 250.773 3.642 20 0 CHADMN CC(C)n1ccc(CN(C)CCC2CCCCC2)n1 ZINC000604884469 1127720574 /nfs/dbraw/zinc/72/05/74/1127720574.db2.gz CGUOTUZLXCXAIR-UHFFFAOYSA-N 0 1 263.429 3.866 20 0 CHADMN COCc1cccc(CNCc2cccc(C)c2F)c1 ZINC000296374342 1129221625 /nfs/dbraw/zinc/22/16/25/1129221625.db2.gz KDACUMSGRVPBKO-UHFFFAOYSA-N 0 1 273.351 3.570 20 0 CHADMN CCS[C@@H]1CCC[C@@H]1NCc1cc(-c2ccco2)on1 ZINC000298437248 1127723487 /nfs/dbraw/zinc/72/34/87/1127723487.db2.gz GTHSCJROJYFLAR-SWLSCSKDSA-N 0 1 292.404 3.698 20 0 CHADMN CCOC1(C)CCN(Cc2ccccc2OC(F)F)CC1 ZINC000298431385 1127723551 /nfs/dbraw/zinc/72/35/51/1127723551.db2.gz YJCUQLNYJXTOKY-UHFFFAOYSA-N 0 1 299.361 3.679 20 0 CHADMN CCOC1(C)CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000298433478 1127723655 /nfs/dbraw/zinc/72/36/55/1127723655.db2.gz YMKDWDDHMBPRGT-GFCCVEGCSA-N 0 1 283.362 3.917 20 0 CHADMN Cc1ccc(NC(=O)CN2CCCC[C@H]2C(C)C)c(F)c1 ZINC000605000715 1127725480 /nfs/dbraw/zinc/72/54/80/1127725480.db2.gz XKIMBLKWWITRBK-INIZCTEOSA-N 0 1 292.398 3.583 20 0 CHADMN CC(C)OCCN[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000298511704 1127725464 /nfs/dbraw/zinc/72/54/64/1127725464.db2.gz QCJOFIAQQLOQNC-NSHDSACASA-N 0 1 297.349 3.507 20 0 CHADMN CC(C)[C@@H]1CCCCN1Cc1noc(-c2ccccc2)n1 ZINC000605000370 1127725735 /nfs/dbraw/zinc/72/57/35/1127725735.db2.gz LVGAOUCGXMEXPH-HNNXBMFYSA-N 0 1 285.391 3.747 20 0 CHADMN CC1(C)CN(Cc2cccc(C(F)(F)F)c2)CCCO1 ZINC000605000177 1127726293 /nfs/dbraw/zinc/72/62/93/1127726293.db2.gz TXUXPCQWNXWHHK-UHFFFAOYSA-N 0 1 287.325 3.706 20 0 CHADMN CCOc1cc(CNCc2ccsc2)cc(Cl)c1O ZINC000298596383 1127727277 /nfs/dbraw/zinc/72/72/77/1127727277.db2.gz YVKWGPPWIRLZJZ-UHFFFAOYSA-N 0 1 297.807 3.796 20 0 CHADMN CN(Cc1cn2c(n1)CCCC2)[C@@H]1CCCc2ccccc21 ZINC000365401686 1127727827 /nfs/dbraw/zinc/72/78/27/1127727827.db2.gz GJPZBWQQGKHTQY-GOSISDBHSA-N 0 1 295.430 3.729 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1ccoc1 ZINC000062103697 1127733986 /nfs/dbraw/zinc/73/39/86/1127733986.db2.gz ZVBCRYNUTXPDIN-AWEZNQCLSA-N 0 1 259.349 3.984 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c1 ZINC000605522607 1127741371 /nfs/dbraw/zinc/74/13/71/1127741371.db2.gz JOMXMDOTXCWTLH-XJKCOSOUSA-N 0 1 297.402 3.665 20 0 CHADMN Cc1cc(C)cc(OCCN(C)Cc2cccc(C)n2)c1 ZINC000605572261 1127743405 /nfs/dbraw/zinc/74/34/05/1127743405.db2.gz YTHRRUALFIJVOF-UHFFFAOYSA-N 0 1 284.403 3.518 20 0 CHADMN C[C@@H](NCc1cnc2n1CCCC2)c1cccc(Cl)c1 ZINC000366941709 1127749091 /nfs/dbraw/zinc/74/90/91/1127749091.db2.gz BLNGXNXCVHFBGY-GFCCVEGCSA-N 0 1 289.810 3.724 20 0 CHADMN CC[C@H](C)Sc1nnc(CCC2CCCC2)[nH]1 ZINC000606152668 1127752871 /nfs/dbraw/zinc/75/28/71/1127752871.db2.gz VANYDQBAVCDVER-JTQLQIEISA-N 0 1 253.415 3.818 20 0 CHADMN CC[C@H](C)Sc1nc(CCC2CCCC2)n[nH]1 ZINC000606152668 1127752874 /nfs/dbraw/zinc/75/28/74/1127752874.db2.gz VANYDQBAVCDVER-JTQLQIEISA-N 0 1 253.415 3.818 20 0 CHADMN Cc1c([C@H](C)N[C@H](C)c2cnccc2C)cnn1C(C)C ZINC000682493675 1127754238 /nfs/dbraw/zinc/75/42/38/1127754238.db2.gz HWCZCPXPFSQAIN-KGLIPLIRSA-N 0 1 286.423 3.888 20 0 CHADMN CC(C)(C)CCC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000606370401 1127760100 /nfs/dbraw/zinc/76/01/00/1127760100.db2.gz WHSIQUMQOZMFNJ-UHFFFAOYSA-N 0 1 293.798 3.659 20 0 CHADMN CCC1(CN[C@H](c2ccccn2)c2ccccc2OC)CC1 ZINC000925499516 1127760570 /nfs/dbraw/zinc/76/05/70/1127760570.db2.gz ZXXZQKPGUJXTBR-SFHVURJKSA-N 0 1 296.414 3.959 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1Cc1nc(C(C)(C)C)no1 ZINC000606433991 1127761869 /nfs/dbraw/zinc/76/18/69/1127761869.db2.gz GDTLHENQVHIUER-QWHCGFSZSA-N 0 1 279.428 3.768 20 0 CHADMN CCCCc1noc(CN2CCCC[C@@H]2[C@@H](C)CC)n1 ZINC000606434067 1127761911 /nfs/dbraw/zinc/76/19/11/1127761911.db2.gz JGXRUDVETWTFAL-UONOGXRCSA-N 0 1 279.428 3.813 20 0 CHADMN CCO[C@H](C)c1noc(CN2CCCC[C@@H]2[C@@H](C)CC)n1 ZINC000606434333 1127762433 /nfs/dbraw/zinc/76/24/33/1127762433.db2.gz VBKKDIUSKORFRG-BFHYXJOUSA-N 0 1 295.427 3.568 20 0 CHADMN C=C(Br)CN1CCC[C@H]1Cc1ccccc1 ZINC000062640405 1127766516 /nfs/dbraw/zinc/76/65/16/1127766516.db2.gz RYBJVUMQYDLOFY-AWEZNQCLSA-N 0 1 280.209 3.602 20 0 CHADMN CC(C)SCCN(C)[C@@H](C)c1ccccc1F ZINC000409445091 1127767509 /nfs/dbraw/zinc/76/75/09/1127767509.db2.gz UEOPDZDNLALQNV-LBPRGKRZSA-N 0 1 255.402 3.960 20 0 CHADMN CCN(Cc1ncc(C(C)(C)C)o1)CC(C)(C)C ZINC000409445674 1127769263 /nfs/dbraw/zinc/76/92/63/1127769263.db2.gz ZDNNSYXYMQPYSO-UHFFFAOYSA-N 0 1 252.402 3.840 20 0 CHADMN CC(C)CCn1cccc1CNCc1ccc(Cl)nc1 ZINC000172627100 1127773648 /nfs/dbraw/zinc/77/36/48/1127773648.db2.gz GUMRJSJBGHXTPE-UHFFFAOYSA-N 0 1 291.826 3.872 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)NCCCC(C)(C)C)o1 ZINC000606873029 1127780368 /nfs/dbraw/zinc/78/03/68/1127780368.db2.gz SZYVYVUBANYKRM-UHFFFAOYSA-N 0 1 294.439 3.678 20 0 CHADMN Cc1ccc2oc(CN[C@@H]3CCCc4c3cnn4C)cc2c1 ZINC000606912047 1127782032 /nfs/dbraw/zinc/78/20/32/1127782032.db2.gz YLFJBRFEAWIALB-MRXNPFEDSA-N 0 1 295.386 3.642 20 0 CHADMN COC[C@@H]1CCCCN(Cc2nc(C(C)(C)C)cs2)C1 ZINC000372093300 1127788392 /nfs/dbraw/zinc/78/83/92/1127788392.db2.gz CYMJJLBQMDZZPG-CYBMUJFWSA-N 0 1 296.480 3.689 20 0 CHADMN CCCN(C)CC(=O)Nc1ccccc1-c1cccs1 ZINC000607333316 1127800297 /nfs/dbraw/zinc/80/02/97/1127800297.db2.gz HVLCDKYGBFZJPI-UHFFFAOYSA-N 0 1 288.416 3.695 20 0 CHADMN Fc1cccc(CN[C@@H](Cn2cccn2)c2ccccc2)c1 ZINC000607365966 1127801739 /nfs/dbraw/zinc/80/17/39/1127801739.db2.gz HGPDNYZKNCWRIU-SFHVURJKSA-N 0 1 295.361 3.553 20 0 CHADMN Cc1nnsc1CN1CCCC[C@@H]1c1ccccc1 ZINC000516071360 1127804193 /nfs/dbraw/zinc/80/41/93/1127804193.db2.gz IGQHGJXXOXJIFF-CQSZACIVSA-N 0 1 273.405 3.574 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2ccnn2C(C)C)cc1 ZINC000410323380 1127804890 /nfs/dbraw/zinc/80/48/90/1127804890.db2.gz MKIKUEQUVOYNTN-OAHLLOKOSA-N 0 1 271.408 3.965 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2ncnn2-c2ccccc2)CC1 ZINC000410373918 1127807653 /nfs/dbraw/zinc/80/76/53/1127807653.db2.gz RZHIJNJYLBKWNN-MRXNPFEDSA-N 0 1 298.434 3.525 20 0 CHADMN CCSCC[C@@H](C)NCc1occc1Br ZINC000231396322 1127819342 /nfs/dbraw/zinc/81/93/42/1127819342.db2.gz ZBZRKEGFHWTPDG-SECBINFHSA-N 0 1 292.242 3.663 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1CCOc1ccccc1F ZINC000607747614 1127824123 /nfs/dbraw/zinc/82/41/23/1127824123.db2.gz RRLBVHSMKWNYHJ-CQSZACIVSA-N 0 1 285.362 3.651 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1cccc(F)c1 ZINC000607748051 1127824367 /nfs/dbraw/zinc/82/43/67/1127824367.db2.gz JBMVXIWBEUKWFL-CYBMUJFWSA-N 0 1 255.336 3.773 20 0 CHADMN O=C(c1cnc(-c2ccccc2)[nH]1)N1C2CCCC1CCC2 ZINC000607933971 1127838721 /nfs/dbraw/zinc/83/87/21/1127838721.db2.gz LZMRDJQOZGFLAQ-UHFFFAOYSA-N 0 1 295.386 3.624 20 0 CHADMN FC(F)(F)CCNCc1ccc(-c2ccccc2)o1 ZINC000608071634 1127844220 /nfs/dbraw/zinc/84/42/20/1127844220.db2.gz GBRHPGLTWOGYPU-UHFFFAOYSA-N 0 1 269.266 3.989 20 0 CHADMN Cc1nccc(CN2C[C@H](C)C[C@@H]2c2cccc(F)c2)n1 ZINC000373519022 1127848177 /nfs/dbraw/zinc/84/81/77/1127848177.db2.gz ILHWZEVGEXOVMU-SJKOYZFVSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1nnc([C@@H](C)N2CCCC3(C2)CCCCCC3)[nH]1 ZINC000411298971 1127853429 /nfs/dbraw/zinc/85/34/29/1127853429.db2.gz ZSZTTWXWKXSNQD-CYBMUJFWSA-N 0 1 276.428 3.611 20 0 CHADMN CCc1ccc(CN(C)[C@@H](CC)c2ccncc2)nc1 ZINC000411433878 1127859174 /nfs/dbraw/zinc/85/91/74/1127859174.db2.gz YDUICADNRILFFM-KRWDZBQOSA-N 0 1 269.392 3.622 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccc(OC)c(F)c2)nc1 ZINC000411461919 1127861498 /nfs/dbraw/zinc/86/14/98/1127861498.db2.gz QFTPKQCKCUTTCE-LBPRGKRZSA-N 0 1 288.366 3.643 20 0 CHADMN COC(=O)c1cc(CNC(C)(C)c2cccs2)cs1 ZINC000411532898 1127863350 /nfs/dbraw/zinc/86/33/50/1127863350.db2.gz MTWGIGXTEWMESR-UHFFFAOYSA-N 0 1 295.429 3.621 20 0 CHADMN C[C@@H](O)CCNC1(c2c(Cl)cccc2Cl)CCC1 ZINC000411648583 1127867592 /nfs/dbraw/zinc/86/75/92/1127867592.db2.gz PVCJRGVNWVWUIQ-SNVBAGLBSA-N 0 1 288.218 3.733 20 0 CHADMN Cc1ccc(C[N@H+](Cc2cccc(N(C)C)c2)C2CC2)o1 ZINC000608492692 1127869505 /nfs/dbraw/zinc/86/95/05/1127869505.db2.gz TZGQUAHGOCIHCQ-UHFFFAOYSA-N 0 1 284.403 3.819 20 0 CHADMN Cc1ccc(CN(Cc2cccc(N(C)C)c2)C2CC2)o1 ZINC000608492692 1127869511 /nfs/dbraw/zinc/86/95/11/1127869511.db2.gz TZGQUAHGOCIHCQ-UHFFFAOYSA-N 0 1 284.403 3.819 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@](C)(c3ccccc3)CC2)[nH]1 ZINC000411715512 1127869887 /nfs/dbraw/zinc/86/98/87/1127869887.db2.gz CGDMSQHSDLBTOT-KDOFPFPSSA-N 0 1 298.434 3.618 20 0 CHADMN CCc1cnc(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)o1 ZINC000608492328 1127870243 /nfs/dbraw/zinc/87/02/43/1127870243.db2.gz LAANPGFGJQMDMN-QEJZJMRPSA-N 0 1 262.397 3.638 20 0 CHADMN C[C@@H](CO)C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000608498218 1127870287 /nfs/dbraw/zinc/87/02/87/1127870287.db2.gz ARRWWOUMFFLUTH-ZJUUUORDSA-N 0 1 276.207 3.615 20 0 CHADMN Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CO1 ZINC000608498751 1127872036 /nfs/dbraw/zinc/87/20/36/1127872036.db2.gz CSXRXUNMVFDNBC-QFBILLFUSA-N 0 1 281.399 3.957 20 0 CHADMN Cc1ccccc1[C@H]1CN(Cc2ccccc2)[C@@H](C)CO1 ZINC000608498751 1127872041 /nfs/dbraw/zinc/87/20/41/1127872041.db2.gz CSXRXUNMVFDNBC-QFBILLFUSA-N 0 1 281.399 3.957 20 0 CHADMN Cc1cnc(CN2CC[C@H](c3ccccc3)C[C@@H]2C)o1 ZINC000374174626 1127876060 /nfs/dbraw/zinc/87/60/60/1127876060.db2.gz JJMRTLFBPAQLEP-BBRMVZONSA-N 0 1 270.376 3.751 20 0 CHADMN Cc1cc(CN2CC[C@@H](c3ccccc3)C[C@H]2C)no1 ZINC000374171663 1127877359 /nfs/dbraw/zinc/87/73/59/1127877359.db2.gz DGFZZYKUBSGDHY-CZUORRHYSA-N 0 1 270.376 3.751 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnc(C)cn1)c1ccccc1 ZINC000411882676 1127877722 /nfs/dbraw/zinc/87/77/22/1127877722.db2.gz APCXHZMTFKPRIC-ZFWWWQNUSA-N 0 1 255.365 3.587 20 0 CHADMN Cc1nc(CN2C3CCCC2CCC3)nc2ccccc12 ZINC000608565127 1127877813 /nfs/dbraw/zinc/87/78/13/1127877813.db2.gz UQWGMNBPBDQDGC-UHFFFAOYSA-N 0 1 281.403 3.845 20 0 CHADMN CCc1nnc(CN(C)[C@H]2CCCC[C@@H]2c2ccccc2)o1 ZINC000411997388 1127885408 /nfs/dbraw/zinc/88/54/08/1127885408.db2.gz HXGSNFHYHGQLIV-CVEARBPZSA-N 0 1 299.418 3.790 20 0 CHADMN O[C@H]1C[C@@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1 ZINC000411956639 1127881218 /nfs/dbraw/zinc/88/12/18/1127881218.db2.gz WJAFUGKMWJZYOL-IRXDYDNUSA-N 0 1 287.790 3.648 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2cc(Br)co2)C1 ZINC001232856778 1127887274 /nfs/dbraw/zinc/88/72/74/1127887274.db2.gz ZNDHOADHSOOSSE-AOOOYVTPSA-N 0 1 272.186 3.520 20 0 CHADMN COC1([C@H](C)NCc2c(F)cccc2Cl)CCC1 ZINC000412022219 1127889327 /nfs/dbraw/zinc/88/93/27/1127889327.db2.gz RGYDUAXKOOYXNL-JTQLQIEISA-N 0 1 271.763 3.526 20 0 CHADMN CC[N@@H+](Cc1nc2ccccc2[nH]1)C1CC(C)(C)C1 ZINC000412034945 1127889900 /nfs/dbraw/zinc/88/99/00/1127889900.db2.gz JYMMSMAZWBPKJT-UHFFFAOYSA-N 0 1 257.381 3.573 20 0 CHADMN CCN(Cc1nc2ccccc2[nH]1)C1CC(C)(C)C1 ZINC000412034945 1127889906 /nfs/dbraw/zinc/88/99/06/1127889906.db2.gz JYMMSMAZWBPKJT-UHFFFAOYSA-N 0 1 257.381 3.573 20 0 CHADMN C[C@@H](NCCCSCc1ccccc1)c1csnn1 ZINC000412046859 1127891380 /nfs/dbraw/zinc/89/13/80/1127891380.db2.gz UWFZORBATRZRIQ-GFCCVEGCSA-N 0 1 293.461 3.512 20 0 CHADMN CCc1ccccc1NC(=O)CN(CC)C1CC(C)(C)C1 ZINC000412029430 1127891486 /nfs/dbraw/zinc/89/14/86/1127891486.db2.gz CRKHKHCOIYPOLI-UHFFFAOYSA-N 0 1 288.435 3.698 20 0 CHADMN COC(=O)c1sc2ccccc2c1CN1CCCCC1 ZINC000608856338 1127892344 /nfs/dbraw/zinc/89/23/44/1127892344.db2.gz XHVAZGPVRUUFQH-UHFFFAOYSA-N 0 1 289.400 3.674 20 0 CHADMN COc1cc(C)c(C)cc1CN1CCC(F)(F)[C@@H](C)C1 ZINC001238757844 1131241562 /nfs/dbraw/zinc/24/15/62/1131241562.db2.gz HAMQQUOAXHJJTF-ZDUSSCGKSA-N 0 1 283.362 3.789 20 0 CHADMN Clc1sccc1-c1cccc([C@@H]2COCCN2)c1 ZINC001118899730 1131241549 /nfs/dbraw/zinc/24/15/49/1131241549.db2.gz CKKHPOODNCFVQU-ZDUSSCGKSA-N 0 1 279.792 3.729 20 0 CHADMN CC(C)OCC(C)(C)NCc1coc(-c2ccccc2)n1 ZINC000412044893 1127893420 /nfs/dbraw/zinc/89/34/20/1127893420.db2.gz YMYCAKCMFHLWAD-UHFFFAOYSA-N 0 1 288.391 3.635 20 0 CHADMN Cn1ccc([C@@H](NC[C@H]2CC=CCC2)c2ccc(F)cc2)n1 ZINC000374519864 1127901962 /nfs/dbraw/zinc/90/19/62/1127901962.db2.gz HBQASOBIDYAMJF-KSSFIOAISA-N 0 1 299.393 3.595 20 0 CHADMN CC1(C)CC=C(C(=O)Nc2ncc(C(F)(F)F)[nH]2)CC1 ZINC000412194254 1127900588 /nfs/dbraw/zinc/90/05/88/1127900588.db2.gz PJPPNYBJADZZGP-UHFFFAOYSA-N 0 1 287.285 3.504 20 0 CHADMN Cc1cc([C@H](C)NCCSCc2ccccc2)no1 ZINC000800495862 1127901240 /nfs/dbraw/zinc/90/12/40/1127901240.db2.gz QIAPRYNIPLPANH-ZDUSSCGKSA-N 0 1 276.405 3.567 20 0 CHADMN C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1CC1CC1 ZINC000428773405 1127906802 /nfs/dbraw/zinc/90/68/02/1127906802.db2.gz QSXKNHACTRODTE-IAQYHMDHSA-N 0 1 299.336 3.877 20 0 CHADMN CN(Cc1ccc2ncoc2c1)Cc1cccc(F)c1 ZINC001232937823 1127903469 /nfs/dbraw/zinc/90/34/69/1127903469.db2.gz ISKLTVCFDYXYOD-UHFFFAOYSA-N 0 1 270.307 3.599 20 0 CHADMN CCc1ncc(CN2CCC[C@@H]2c2ccccc2OC)o1 ZINC000929493335 1127911768 /nfs/dbraw/zinc/91/17/68/1127911768.db2.gz RKECAIDMWWTPGA-OAHLLOKOSA-N 0 1 286.375 3.583 20 0 CHADMN CC[C@@H](C)CN(CC)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000535375650 1127914346 /nfs/dbraw/zinc/91/43/46/1127914346.db2.gz SWGSHEAXMODWGB-CYBMUJFWSA-N 0 1 291.439 3.966 20 0 CHADMN C[C@H]1CCCC[C@H]1OCCN1CCc2ccsc2C1 ZINC000535575499 1127920756 /nfs/dbraw/zinc/92/07/56/1127920756.db2.gz HMNGRZWPQUNTDS-DZGCQCFKSA-N 0 1 279.449 3.702 20 0 CHADMN Cc1cccc(NC(=O)[C@@H](C)N[C@H](C)c2ccsc2)c1 ZINC000669828908 1127928280 /nfs/dbraw/zinc/92/82/80/1127928280.db2.gz UOXMYNJDFXDBGH-CHWSQXEVSA-N 0 1 288.416 3.734 20 0 CHADMN Cc1nc([C@H](C)SC(C)(C)c2ccccc2)n[nH]1 ZINC000413004070 1127938509 /nfs/dbraw/zinc/93/85/09/1127938509.db2.gz JVICSJUVJCHMCO-JTQLQIEISA-N 0 1 261.394 3.843 20 0 CHADMN CSc1ccccc1NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000413102088 1127942523 /nfs/dbraw/zinc/94/25/23/1127942523.db2.gz VACZBSHZYYBEDV-XQQFMLRXSA-N 0 1 292.448 3.608 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2sncc2C)cc1 ZINC001233321141 1127949737 /nfs/dbraw/zinc/94/97/37/1127949737.db2.gz BWBBUUUQTCAIHJ-GFCCVEGCSA-N 0 1 276.405 3.653 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2sncc2C)cc1 ZINC001233321142 1127950046 /nfs/dbraw/zinc/95/00/46/1127950046.db2.gz BWBBUUUQTCAIHJ-LBPRGKRZSA-N 0 1 276.405 3.653 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1Cc1cnc2ccccn12 ZINC000466954530 1127951066 /nfs/dbraw/zinc/95/10/66/1127951066.db2.gz MXBJUKHQZSIJAP-QGZVFWFLSA-N 0 1 291.398 3.671 20 0 CHADMN Cc1cnsc1CN(Cc1ccccc1)C1CC1 ZINC001233322134 1127951389 /nfs/dbraw/zinc/95/13/89/1127951389.db2.gz TVMLBFSUMQFKKA-UHFFFAOYSA-N 0 1 258.390 3.616 20 0 CHADMN CCC(CC)[C@@H](C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000539908868 1127953296 /nfs/dbraw/zinc/95/32/96/1127953296.db2.gz MXGNFRHUDZPLTH-SNVBAGLBSA-N 0 1 273.380 3.882 20 0 CHADMN CSc1cccc(Cl)c1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001233353244 1127955033 /nfs/dbraw/zinc/95/50/33/1127955033.db2.gz MDOSPDRFVAPATF-KWBADKCTSA-N 0 1 285.815 3.994 20 0 CHADMN CSc1cccc(Cl)c1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001233353244 1127955034 /nfs/dbraw/zinc/95/50/34/1127955034.db2.gz MDOSPDRFVAPATF-KWBADKCTSA-N 0 1 285.815 3.994 20 0 CHADMN COC[C@@H]1CCCC[N@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000467120581 1127955782 /nfs/dbraw/zinc/95/57/82/1127955782.db2.gz PMGINGHMTMMWEC-QWHCGFSZSA-N 0 1 283.362 3.774 20 0 CHADMN Fc1ccc(C[N@H+]2CCCC[C@@H]2c2ccccc2)nc1 ZINC000346566084 1127957558 /nfs/dbraw/zinc/95/75/58/1127957558.db2.gz MUEHAEALFSJXKF-QGZVFWFLSA-N 0 1 270.351 3.948 20 0 CHADMN Fc1ccc(CN2CCCC[C@@H]2c2ccccc2)nc1 ZINC000346566084 1127957562 /nfs/dbraw/zinc/95/75/62/1127957562.db2.gz MUEHAEALFSJXKF-QGZVFWFLSA-N 0 1 270.351 3.948 20 0 CHADMN COCC[C@@H]1CCCCN(Cc2ncc(C(C)(C)C)o2)C1 ZINC000467276221 1127961723 /nfs/dbraw/zinc/96/17/23/1127961723.db2.gz ZCCJXSCCZARSMX-AWEZNQCLSA-N 0 1 294.439 3.611 20 0 CHADMN Cc1cccc([C@H](C)N[C@H](CO)c2cccc(F)c2)c1 ZINC000540188250 1127967551 /nfs/dbraw/zinc/96/75/51/1127967551.db2.gz RAYOMYKBYMUTSV-SUMWQHHRSA-N 0 1 273.351 3.518 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](CO)c2cccc(F)c2)s1 ZINC000540186582 1127968320 /nfs/dbraw/zinc/96/83/20/1127968320.db2.gz ZFHBBWKUAFACAO-NHYWBVRUSA-N 0 1 293.407 3.834 20 0 CHADMN CCN(C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000506371644 1127977324 /nfs/dbraw/zinc/97/73/24/1127977324.db2.gz VKZDVLPIFBAPMN-UHFFFAOYSA-N 0 1 251.679 3.811 20 0 CHADMN C[C@@H]1CCN(Cc2nc3ccccc3o2)CC1(C)C ZINC000544782036 1127983740 /nfs/dbraw/zinc/98/37/40/1127983740.db2.gz KMICZGGPKTVJLO-GFCCVEGCSA-N 0 1 258.365 3.696 20 0 CHADMN C[C@H](NC1CC(c2cccc(Cl)c2)C1)c1ccon1 ZINC000544617059 1127979320 /nfs/dbraw/zinc/97/93/20/1127979320.db2.gz MHYCLPVCPWJNJK-JKDOVBDQSA-N 0 1 276.767 3.925 20 0 CHADMN CC(C)(C)NC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000544686672 1127981078 /nfs/dbraw/zinc/98/10/78/1127981078.db2.gz DPFHPWLDHWRGMA-UHFFFAOYSA-N 0 1 299.399 3.820 20 0 CHADMN CCC(F)(F)C(C)(C)CN[C@@H](C)c1cscn1 ZINC000623563720 1127981105 /nfs/dbraw/zinc/98/11/05/1127981105.db2.gz IIRSPAOMBKXURK-VIFPVBQESA-N 0 1 262.369 3.865 20 0 CHADMN CCC[C@H](C)CN1CCO[C@H](c2cccc(OC)c2)C1 ZINC000540497563 1127981646 /nfs/dbraw/zinc/98/16/46/1127981646.db2.gz WBESGGLYHYBJBQ-YOEHRIQHSA-N 0 1 277.408 3.505 20 0 CHADMN C[C@H](CCc1ccccc1)CN(C)Cc1cscn1 ZINC000540506839 1127982195 /nfs/dbraw/zinc/98/21/95/1127982195.db2.gz VURFSZJAHNLMMB-CQSZACIVSA-N 0 1 274.433 3.844 20 0 CHADMN c1nc2ccc(CNc3cnc4ccccc4c3)cc2[nH]1 ZINC000544707044 1127982273 /nfs/dbraw/zinc/98/22/73/1127982273.db2.gz JIXYJCIABCODRR-UHFFFAOYSA-N 0 1 274.327 3.723 20 0 CHADMN C[C@@H](C[N@@H+](C)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000388787893 1127982517 /nfs/dbraw/zinc/98/25/17/1127982517.db2.gz IEODNPMLDLAAJV-HNNXBMFYSA-N 0 1 297.398 3.663 20 0 CHADMN CCC[C@@H](NCc1noc(C2CC2)n1)C1CCCCC1 ZINC000540591078 1127985328 /nfs/dbraw/zinc/98/53/28/1127985328.db2.gz YZLGVSXLGQTGLI-CQSZACIVSA-N 0 1 277.412 3.786 20 0 CHADMN CCCc1nc(CN[C@H](CCC)C2CCCCC2)no1 ZINC000540591869 1127985333 /nfs/dbraw/zinc/98/53/33/1127985333.db2.gz HBVNSASFMMFCFE-CQSZACIVSA-N 0 1 279.428 3.861 20 0 CHADMN Cc1cnn(-c2ccncc2NCc2cc(C)sc2C)c1 ZINC000540621036 1127987930 /nfs/dbraw/zinc/98/79/30/1127987930.db2.gz LZEABXBVNASAOM-UHFFFAOYSA-N 0 1 298.415 3.866 20 0 CHADMN C[C@H](c1ncccn1)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000929656721 1128006943 /nfs/dbraw/zinc/00/69/43/1128006943.db2.gz JDNZWBREWHGRAY-ZIAGYGMSSA-N 0 1 261.413 3.686 20 0 CHADMN CCOC(=O)[C@@H](CC(C)C)N1CCC[C@H]1c1ccsc1 ZINC000541069507 1128007051 /nfs/dbraw/zinc/00/70/51/1128007051.db2.gz GLIDFFVCOWDDTM-LSDHHAIUSA-N 0 1 295.448 3.863 20 0 CHADMN CC(C)c1cc(C(=O)N2CCCC[C@H]2c2ccccc2)n[nH]1 ZINC000545286196 1128010092 /nfs/dbraw/zinc/01/00/92/1128010092.db2.gz ZNNIFWNIAFNVHZ-KRWDZBQOSA-N 0 1 297.402 3.901 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cc3ccn(C(C)C)n3)C2)cc1 ZINC000541389814 1128020182 /nfs/dbraw/zinc/02/01/82/1128020182.db2.gz MJQNIPWJQKSXRT-QGZVFWFLSA-N 0 1 283.419 3.762 20 0 CHADMN CCc1ncc(CN2CCCCC[C@@H]2c2ccco2)o1 ZINC000929676583 1128018167 /nfs/dbraw/zinc/01/81/67/1128018167.db2.gz QSIAPKNRYAHCPC-CQSZACIVSA-N 0 1 274.364 3.947 20 0 CHADMN CC(C)c1ccc([C@@H](C)N2CCc3n[nH]cc3C2)cc1 ZINC000541327000 1128018475 /nfs/dbraw/zinc/01/84/75/1128018475.db2.gz ZGOTWBVBQWLKOI-CYBMUJFWSA-N 0 1 269.392 3.652 20 0 CHADMN CC(C)c1noc(-c2ccc3[nH]c(C(F)F)nc3c2)n1 ZINC000545553001 1128021436 /nfs/dbraw/zinc/02/14/36/1128021436.db2.gz GWCDNUDRJIZEFK-UHFFFAOYSA-N 0 1 278.262 3.674 20 0 CHADMN CCc1ccc(CN(Cc2ccc(F)cn2)C2CC2)cc1 ZINC000468989469 1128030592 /nfs/dbraw/zinc/03/05/92/1128030592.db2.gz OYRWPYHEBKXFSL-UHFFFAOYSA-N 0 1 284.378 3.948 20 0 CHADMN CC(=Cc1nc(-c2cc3nc[nH]c3c(C)c2)no1)C1CC1 ZINC000545726673 1128030713 /nfs/dbraw/zinc/03/07/13/1128030713.db2.gz BSYLLWOWOFJHTE-RMKNXTFCSA-N 0 1 280.331 3.735 20 0 CHADMN Cc1cc(-c2noc(-c3ccccc3)n2)cc2nc[nH]c21 ZINC000545732406 1128030785 /nfs/dbraw/zinc/03/07/85/1128030785.db2.gz FERIYQPSOACELE-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN Cc1ccccc1NC(=O)CN1CCC[C@H](CC(C)C)C1 ZINC000468987345 1128030875 /nfs/dbraw/zinc/03/08/75/1128030875.db2.gz MKFSFMYZYBADRY-MRXNPFEDSA-N 0 1 288.435 3.692 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SC/C=C/Cl)n2)o1 ZINC000913611183 1128032246 /nfs/dbraw/zinc/03/22/46/1128032246.db2.gz IUIHRPMMROBYBO-HPZSKFQUSA-N 0 1 281.768 3.721 20 0 CHADMN C[C@@H](CCC(C)(C)C)C(=O)N1CCN(C2CCCC2)CC1 ZINC000541680686 1128033604 /nfs/dbraw/zinc/03/36/04/1128033604.db2.gz GWSDVOXVOFWAIK-HNNXBMFYSA-N 0 1 294.483 3.536 20 0 CHADMN CC(C)c1nc([C@H](C)NC(=O)[C@H](C)CCC(C)(C)C)n[nH]1 ZINC000541722924 1128034718 /nfs/dbraw/zinc/03/47/18/1128034718.db2.gz REYAXKWHURIACU-NEPJUHHUSA-N 0 1 294.443 3.568 20 0 CHADMN CC[C@H](NCCSc1ccc(C)cc1)c1ccn(C)n1 ZINC000541743876 1128036477 /nfs/dbraw/zinc/03/64/77/1128036477.db2.gz SWADARJOVNVTJO-HNNXBMFYSA-N 0 1 289.448 3.562 20 0 CHADMN CC(C)CO[C@@H]1CCN(C/C=C\c2ccc(F)cc2F)C1 ZINC000541772275 1128038104 /nfs/dbraw/zinc/03/81/04/1128038104.db2.gz YRGOIJZIVBHKRO-MJSXRHKHSA-N 0 1 295.373 3.725 20 0 CHADMN C[C@@H]1CN(C/C=C\c2ccc(F)cc2F)C[C@@H](C)S1 ZINC000541772862 1128038572 /nfs/dbraw/zinc/03/85/72/1128038572.db2.gz LCMQXLGWLJSBSN-OPVGQWETSA-N 0 1 283.387 3.804 20 0 CHADMN COc1ccc(Cl)cc1CN1CCC[C@@H](C)C1 ZINC000302734836 1128040386 /nfs/dbraw/zinc/04/03/86/1128040386.db2.gz BZHBDWGNIROVJW-LLVKDONJSA-N 0 1 253.773 3.581 20 0 CHADMN C[C@@H]1CC[C@]2(CC[N@@H+](Cc3nc4cc(F)ccc4o3)C2)C1 ZINC000541955020 1128044572 /nfs/dbraw/zinc/04/45/72/1128044572.db2.gz SVVMJAWNCFMSHW-PXAZEXFGSA-N 0 1 288.366 3.979 20 0 CHADMN COc1ccc(CN2CCc3c(cccc3OC)C2)cc1C ZINC000542175438 1128054161 /nfs/dbraw/zinc/05/41/61/1128054161.db2.gz VVTUFSRWMRKJOG-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CC[C@@H](C)C3)n[nH]2)cc1 ZINC000469942980 1128058811 /nfs/dbraw/zinc/05/88/11/1128058811.db2.gz DPFWJSIQLFJOHI-UKRRQHHQSA-N 0 1 297.402 3.646 20 0 CHADMN CCC[C@@H](CNCc1nc2ccc(F)cc2s1)OCC ZINC000623599052 1128064450 /nfs/dbraw/zinc/06/44/50/1128064450.db2.gz WLEFRTOMRJYXST-LBPRGKRZSA-N 0 1 296.411 3.730 20 0 CHADMN CCn1cccc1CN(C)CCOc1cccc(Cl)c1 ZINC000470196596 1128066496 /nfs/dbraw/zinc/06/64/96/1128066496.db2.gz VUKJFXLVCDZCKS-UHFFFAOYSA-N 0 1 292.810 3.672 20 0 CHADMN CO[C@H](CN1CC[C@@H](C)[C@H](F)C1)c1ccc(Cl)cc1 ZINC000669932897 1128068310 /nfs/dbraw/zinc/06/83/10/1128068310.db2.gz VNZUIJLFLNTDKH-KCPJHIHWSA-N 0 1 285.790 3.707 20 0 CHADMN CC(C)N(C(=O)CN[C@@H](C)c1ccsc1)C1CCCC1 ZINC000669938655 1128076499 /nfs/dbraw/zinc/07/64/99/1128076499.db2.gz UHRFYRJWBOUADA-ZDUSSCGKSA-N 0 1 294.464 3.578 20 0 CHADMN Cc1nc(C[N@H+]2CCC3(CCCC3)C2)sc1C ZINC000176386293 1128077260 /nfs/dbraw/zinc/07/72/60/1128077260.db2.gz LKKLEWPYDJBDJI-UHFFFAOYSA-N 0 1 250.411 3.526 20 0 CHADMN Cc1nc(C)c(CN(C)Cc2ccc(F)cc2)s1 ZINC000172733628 1128075036 /nfs/dbraw/zinc/07/50/36/1128075036.db2.gz MUIXZQDNDFIAPX-UHFFFAOYSA-N 0 1 264.369 3.531 20 0 CHADMN C[C@@H]1CN(Cc2csc3ccccc23)C[C@H](C2CC2)O1 ZINC000470907571 1128080038 /nfs/dbraw/zinc/08/00/38/1128080038.db2.gz FFOOBZAHWAVGKD-MLGOLLRUSA-N 0 1 287.428 3.901 20 0 CHADMN CO[C@@]1(C)CCCN(CCc2c(F)cccc2Cl)C1 ZINC000470909371 1128081675 /nfs/dbraw/zinc/08/16/75/1128081675.db2.gz QXMNDIIYYXDPJP-HNNXBMFYSA-N 0 1 285.790 3.523 20 0 CHADMN C[C@@H](c1cc(Cl)ccc1Cl)N1CCC[C@@H](CO)C1 ZINC000305210682 1128095140 /nfs/dbraw/zinc/09/51/40/1128095140.db2.gz OWOOOMGWWWEGBD-WDEREUQCSA-N 0 1 288.218 3.759 20 0 CHADMN C[C@H](NCc1ccc(F)cc1)c1ccnn1CC1CCC1 ZINC000924524135 1128101240 /nfs/dbraw/zinc/10/12/40/1128101240.db2.gz FASFLPRJPAEPHR-ZDUSSCGKSA-N 0 1 287.382 3.673 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc2ccccc2c1)c1cn(C)cn1 ZINC000924542160 1128102622 /nfs/dbraw/zinc/10/26/22/1128102622.db2.gz QKCISYBABSDMKN-KBPBESRZSA-N 0 1 279.387 3.985 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc2c1OCO2)c1ccccc1 ZINC000924543159 1128102705 /nfs/dbraw/zinc/10/27/05/1128102705.db2.gz QAMCONGSLHVXEQ-OLZOCXBDSA-N 0 1 269.344 3.827 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H](C)c2ccccc2)c1 ZINC000924543584 1128103393 /nfs/dbraw/zinc/10/33/93/1128103393.db2.gz TXZRZBYXSCCKHD-STQMWFEESA-N 0 1 256.349 3.502 20 0 CHADMN C[C@@H](NCCc1ccc(C(F)(F)F)cc1)c1ncco1 ZINC000924559771 1128104858 /nfs/dbraw/zinc/10/48/58/1128104858.db2.gz SKYGBMDFHPGVPB-SNVBAGLBSA-N 0 1 284.281 3.587 20 0 CHADMN Clc1ccnc2c1CC[C@@H]2N[C@@H]1CCc2ccccc21 ZINC000924590671 1128106186 /nfs/dbraw/zinc/10/61/86/1128106186.db2.gz RYRZNZLXIISCAY-CVEARBPZSA-N 0 1 284.790 3.999 20 0 CHADMN Cc1csc(CNC2CC(Sc3ccccc3)C2)n1 ZINC000924612708 1128107265 /nfs/dbraw/zinc/10/72/65/1128107265.db2.gz BBPOJIBYFLGDEW-UHFFFAOYSA-N 0 1 290.457 3.864 20 0 CHADMN Clc1ccnc2c1CC[C@@H]2NCc1ccsc1 ZINC000924665754 1128109233 /nfs/dbraw/zinc/10/92/33/1128109233.db2.gz OHBCIJQQUZZEGE-LBPRGKRZSA-N 0 1 264.781 3.574 20 0 CHADMN COCc1cccc(CN[C@@H](C)c2ccnn2C2CCC2)c1 ZINC000924684526 1128109912 /nfs/dbraw/zinc/10/99/12/1128109912.db2.gz KLKMJAZYAMUGJJ-AWEZNQCLSA-N 0 1 299.418 3.605 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H](C)c1ccnnc1 ZINC000924722069 1128111705 /nfs/dbraw/zinc/11/17/05/1128111705.db2.gz FMKZJFVECQLTJL-DOMZBBRYSA-N 0 1 285.391 3.742 20 0 CHADMN COC1(OC)CC[C@H]1N[C@@H](C)c1oc2ccccc2c1C ZINC000924771967 1128112046 /nfs/dbraw/zinc/11/20/46/1128112046.db2.gz DLPKXYFLXIGPAS-SWLSCSKDSA-N 0 1 289.375 3.543 20 0 CHADMN Cc1noc(C)c1CN[C@@H](C)c1coc2ccccc12 ZINC000924779806 1128112091 /nfs/dbraw/zinc/11/20/91/1128112091.db2.gz GAZDWMOVCVBWPP-JTQLQIEISA-N 0 1 270.332 3.888 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)C1CCCCC1)c1cnn(C)n1 ZINC000924814767 1128113897 /nfs/dbraw/zinc/11/38/97/1128113897.db2.gz OWTQTQSZBGNMSM-KDOFPFPSSA-N 0 1 298.434 3.787 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cn3c(n2)CCCC3)cc1 ZINC000924858812 1128115480 /nfs/dbraw/zinc/11/54/80/1128115480.db2.gz QYGQYHBVQVDXIC-ZIAGYGMSSA-N 0 1 299.418 3.640 20 0 CHADMN CCCCC[C@@H](N[C@H](C)c1cnnn1C)c1ccccc1 ZINC000924929385 1128116567 /nfs/dbraw/zinc/11/65/67/1128116567.db2.gz FWOFNBLQFOSXRX-GDBMZVCRSA-N 0 1 286.423 3.787 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)C1CCC1)c1cn(C)cn1 ZINC000924941426 1128117509 /nfs/dbraw/zinc/11/75/09/1128117509.db2.gz CIZADKOYOFZZRU-CXAGYDPISA-N 0 1 269.392 3.612 20 0 CHADMN CC1(C)SC[C@@H]1Nc1ccnc2cc(F)ccc21 ZINC000669972821 1128118833 /nfs/dbraw/zinc/11/88/33/1128118833.db2.gz IEJFNQFRASFSNR-ZDUSSCGKSA-N 0 1 262.353 3.680 20 0 CHADMN Cc1nc(C2(NCCC3CCC3)CCCCCC2)no1 ZINC000660040248 1128120343 /nfs/dbraw/zinc/12/03/43/1128120343.db2.gz VKMIUSBMKLDKNR-UHFFFAOYSA-N 0 1 277.412 3.707 20 0 CHADMN C[C@H](CCC1CCCCC1)N[C@@H](C)c1cc(CO)on1 ZINC000925072101 1128120921 /nfs/dbraw/zinc/12/09/21/1128120921.db2.gz QXRVUHYQRTYQFD-OLZOCXBDSA-N 0 1 280.412 3.567 20 0 CHADMN FC(F)(F)c1csc(CNC2CC3(C2)CCCC3)n1 ZINC000925120440 1128122337 /nfs/dbraw/zinc/12/23/37/1128122337.db2.gz YEISSRJWECDSKY-UHFFFAOYSA-N 0 1 290.354 3.974 20 0 CHADMN CC[C@H](N[C@@H](C)c1cc(O)cc(F)c1)c1ccncc1 ZINC000925132838 1128122740 /nfs/dbraw/zinc/12/27/40/1128122740.db2.gz YWMIVFHTDGDZGE-ZBEGNZNMSA-N 0 1 274.339 3.728 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccnn1C1CCC1)c1ccncc1 ZINC000925131172 1128122928 /nfs/dbraw/zinc/12/29/28/1128122928.db2.gz RPVHQUJVCVGFEB-BBRMVZONSA-N 0 1 284.407 3.805 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C=CC1CCCC1 ZINC000493084310 1128122991 /nfs/dbraw/zinc/12/29/91/1128122991.db2.gz AQZSGPBMGZALCI-VOTSOKGWSA-N 0 1 269.348 3.556 20 0 CHADMN Cc1oc2ccccc2c1[C@@H](C)N[C@H](C)c1cnn(C)c1 ZINC000925133741 1128123198 /nfs/dbraw/zinc/12/31/98/1128123198.db2.gz YJFZZWAQLNRWMR-VXGBXAGGSA-N 0 1 283.375 3.887 20 0 CHADMN COc1cccc(F)c1[C@H](C)NC1CC(OC(C)(C)C)C1 ZINC000493077362 1128123341 /nfs/dbraw/zinc/12/33/41/1128123341.db2.gz GSMZVVSHPDICNA-HIFPTAJRSA-N 0 1 295.398 3.831 20 0 CHADMN COc1ccccc1C[C@@H](N[C@@H](C)c1ncco1)C(C)C ZINC000925214153 1128125787 /nfs/dbraw/zinc/12/57/87/1128125787.db2.gz HNQZWPMXTMETGU-DZGCQCFKSA-N 0 1 288.391 3.601 20 0 CHADMN Cc1cccc([C@@H](NC[C@]2(C)CCCO2)c2ccccn2)c1 ZINC000925250165 1128126857 /nfs/dbraw/zinc/12/68/57/1128126857.db2.gz SHOMSYKYRYRXNN-MOPGFXCFSA-N 0 1 296.414 3.638 20 0 CHADMN CCN(Cc1cccc(O)c1Br)C(C)(C)C ZINC000315763717 1128127429 /nfs/dbraw/zinc/12/74/29/1128127429.db2.gz CDIRHXHOGPLWGZ-UHFFFAOYSA-N 0 1 286.213 3.775 20 0 CHADMN C[C@H](N[C@H]1CC2(CCC2)Oc2ccccc21)c1ccnnc1 ZINC000925269993 1128127464 /nfs/dbraw/zinc/12/74/64/1128127464.db2.gz QKSWJVUCCDRDEW-BBRMVZONSA-N 0 1 295.386 3.574 20 0 CHADMN Cc1cccc2c1CC[C@H]2N[C@H](C)c1cn2c(n1)CCCC2 ZINC000925370440 1128128852 /nfs/dbraw/zinc/12/88/52/1128128852.db2.gz LXZDJQCGARZFHK-RHSMWYFYSA-N 0 1 295.430 3.866 20 0 CHADMN C[C@H](NCC(C)(C)Cc1ccccc1)c1ncco1 ZINC000925426290 1128129363 /nfs/dbraw/zinc/12/93/63/1128129363.db2.gz MWQXKIZTBUFRBG-ZDUSSCGKSA-N 0 1 258.365 3.594 20 0 CHADMN Cc1n[nH]cc1CN[C@H](C)c1csc(C(F)(F)F)c1 ZINC000925463053 1128129996 /nfs/dbraw/zinc/12/99/96/1128129996.db2.gz PGIJQUJOQGHJRG-SSDOTTSWSA-N 0 1 289.326 3.649 20 0 CHADMN COc1ccccc1[C@H](NCCC1CC1)c1ccccn1 ZINC000925479820 1128130772 /nfs/dbraw/zinc/13/07/72/1128130772.db2.gz KFJBNJBSENVMPK-SFHVURJKSA-N 0 1 282.387 3.569 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1coc2ccccc12 ZINC000925548756 1128131764 /nfs/dbraw/zinc/13/17/64/1128131764.db2.gz DIZJRZQDPVBNBG-IAQYHMDHSA-N 0 1 281.359 3.884 20 0 CHADMN COc1ccnc([C@H](C)NCc2c(C)cccc2C)c1 ZINC000925546796 1128131922 /nfs/dbraw/zinc/13/19/22/1128131922.db2.gz PHZCVPXDMSLHGR-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1cccc(C)c1CN[C@@H](C)c1cn2c(n1)CCCC2 ZINC000925545018 1128131968 /nfs/dbraw/zinc/13/19/68/1128131968.db2.gz GLPNTQFZKKPUCQ-HNNXBMFYSA-N 0 1 283.419 3.687 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(O)cc(F)c2)c(C)c1 ZINC000925542522 1128131976 /nfs/dbraw/zinc/13/19/76/1128131976.db2.gz HFKJLFLGJIUWAE-GFCCVEGCSA-N 0 1 289.350 3.699 20 0 CHADMN CC[C@H](c1ccsc1)N1CCOc2ccc(N)cc2C1 ZINC000925755209 1128140127 /nfs/dbraw/zinc/14/01/27/1128140127.db2.gz VCIMNZKPAGKSEY-OAHLLOKOSA-N 0 1 288.416 3.676 20 0 CHADMN Cc1cc([C@@H](C)N2CCOc3ccc(N)cc3C2)cs1 ZINC000925752896 1128140171 /nfs/dbraw/zinc/14/01/71/1128140171.db2.gz BHRYHOBWUTYOER-GFCCVEGCSA-N 0 1 288.416 3.594 20 0 CHADMN C[C@@H](N[C@@H](C)C1(Cl)CC1)c1cccc(F)c1F ZINC000925666470 1128136363 /nfs/dbraw/zinc/13/63/63/1128136363.db2.gz UJEDGXNDLPUOHX-BDAKNGLRSA-N 0 1 259.727 3.775 20 0 CHADMN CCc1nnc([C@H](C)N[C@@H]2CCC[C@H]2Cc2ccccc2)o1 ZINC000493540776 1128142670 /nfs/dbraw/zinc/14/26/70/1128142670.db2.gz CHWIEIHCDAVPEK-CWRNSKLLSA-N 0 1 299.418 3.694 20 0 CHADMN CCCc1csc(CNC[C@@H](C)Oc2ccccc2)n1 ZINC000494019889 1128154544 /nfs/dbraw/zinc/15/45/44/1128154544.db2.gz WOMYWTCPTIDHMY-CYBMUJFWSA-N 0 1 290.432 3.653 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H](C)c1cc2ccccc2[nH]1 ZINC000926835218 1128196824 /nfs/dbraw/zinc/19/68/24/1128196824.db2.gz BRZXLOOGWWGZII-DGCLKSJQSA-N 0 1 280.375 3.678 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2CCC[C@H]1C)c1cn(C)cn1 ZINC000926177459 1128158601 /nfs/dbraw/zinc/15/86/01/1128158601.db2.gz LHENWFBKBOOGMK-GLJUWKHASA-N 0 1 283.419 3.784 20 0 CHADMN Cc1oc2ccccc2c1CCN[C@H](C)c1ncco1 ZINC000926190717 1128159911 /nfs/dbraw/zinc/15/99/11/1128159911.db2.gz ZCMMPDZYQCVMPU-LLVKDONJSA-N 0 1 270.332 3.623 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H](CC(F)(F)F)C(C)C ZINC000926238104 1128162537 /nfs/dbraw/zinc/16/25/37/1128162537.db2.gz VXNACTWQOGWXIZ-QWRGUYRKSA-N 0 1 290.329 3.927 20 0 CHADMN Cc1nonc1[C@H](C)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000926339546 1128168144 /nfs/dbraw/zinc/16/81/44/1128168144.db2.gz HELQSGAAGNPBST-PSOPSSQASA-N 0 1 289.354 3.504 20 0 CHADMN Cc1nc2cc(NC3(c4cccc(C)c4)COC3)ccc2[nH]1 ZINC001168470127 1128197549 /nfs/dbraw/zinc/19/75/49/1128197549.db2.gz IKWSARHOLZBCOZ-UHFFFAOYSA-N 0 1 293.370 3.517 20 0 CHADMN CCCCN[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000542481282 1128168857 /nfs/dbraw/zinc/16/88/57/1128168857.db2.gz RWUXCWUXAKIAMO-INIZCTEOSA-N 0 1 276.330 3.839 20 0 CHADMN CC1(C)CC2(CC(NCc3c(F)cc(F)cc3F)C2)CO1 ZINC000926489221 1128174719 /nfs/dbraw/zinc/17/47/19/1128174719.db2.gz NXOFRCJSDZFBKY-UHFFFAOYSA-N 0 1 299.336 3.541 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1C(F)(F)F ZINC000222466600 1128177471 /nfs/dbraw/zinc/17/74/71/1128177471.db2.gz UYNYFCMAHFDNDQ-VHSXEESVSA-N 0 1 283.297 3.840 20 0 CHADMN CC(C)(C)C[C@H](NCc1ccno1)c1ccccc1 ZINC000223658064 1128180656 /nfs/dbraw/zinc/18/06/56/1128180656.db2.gz JBMNJVFJZLCMNY-HNNXBMFYSA-N 0 1 258.365 3.942 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H]1c1ccccc1F)c1cn2c(n1)CCCC2 ZINC000926569350 1128181310 /nfs/dbraw/zinc/18/13/10/1128181310.db2.gz QPHMBUDDZPWSNA-IVMMDQJWSA-N 0 1 299.393 3.565 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccn2)C2CCC2)cc(C)n1 ZINC000926600659 1128183197 /nfs/dbraw/zinc/18/31/97/1128183197.db2.gz KMPBICKCXCUOCT-GOSISDBHSA-N 0 1 281.403 3.724 20 0 CHADMN CCC[C@@H](C)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000192773755 1128188090 /nfs/dbraw/zinc/18/80/90/1128188090.db2.gz GMFQLCPJJNKJRE-CYBMUJFWSA-N 0 1 257.381 3.697 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1ccnnc1)c1ccccc1F ZINC000926692366 1128188509 /nfs/dbraw/zinc/18/85/09/1128188509.db2.gz IALUUZQGIQHTSV-WBMJQRKESA-N 0 1 273.355 3.664 20 0 CHADMN C[C@H](NCc1c(C2CC2)cnn1C)c1coc2ccccc12 ZINC000926704175 1128189073 /nfs/dbraw/zinc/18/90/73/1128189073.db2.gz XQNJROSVMYQTMX-LBPRGKRZSA-N 0 1 295.386 3.895 20 0 CHADMN CC[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1cccc(OC)n1 ZINC000926709032 1128189279 /nfs/dbraw/zinc/18/92/79/1128189279.db2.gz WOADTOWAEQIPGO-HZPDHXFCSA-N 0 1 298.386 3.524 20 0 CHADMN CC(C)CC1(C)CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000494755059 1128190591 /nfs/dbraw/zinc/19/05/91/1128190591.db2.gz AWUNMBZAJXQTJN-UHFFFAOYSA-N 0 1 299.418 3.851 20 0 CHADMN CC(C)n1cc(CN[C@@H](C)c2cccc(Cl)c2)cn1 ZINC000226237960 1128192009 /nfs/dbraw/zinc/19/20/09/1128192009.db2.gz LCQFKBAIHIOFPO-LBPRGKRZSA-N 0 1 277.799 3.968 20 0 CHADMN C[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1cc(-c2ccccc2)no1 ZINC000926767323 1128192656 /nfs/dbraw/zinc/19/26/56/1128192656.db2.gz JPXGWXIPVGEAQL-PNPHSEOMSA-N 0 1 298.386 3.560 20 0 CHADMN CN(C)Cc1ccc(N[C@@H]2CC(C)(C)OC2(C)C)cc1F ZINC000777701167 1128247517 /nfs/dbraw/zinc/24/75/17/1128247517.db2.gz QZJMUHKPMVDTMB-OAHLLOKOSA-N 0 1 294.414 3.645 20 0 CHADMN CC[C@@H](C)[C@H](C)Nc1ccc(CN(C)C)c(F)c1 ZINC000777700274 1128247625 /nfs/dbraw/zinc/24/76/25/1128247625.db2.gz GRRCBYFAGSBIQJ-NEPJUHHUSA-N 0 1 252.377 3.734 20 0 CHADMN Cl/C=C/CN1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000914821471 1128248252 /nfs/dbraw/zinc/24/82/52/1128248252.db2.gz SSUHJPHIURZBKG-IADWALHJSA-N 0 1 286.202 3.936 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2[nH]c(C)nc2C)cc1 ZINC000929135310 1128259929 /nfs/dbraw/zinc/25/99/29/1128259929.db2.gz GFOIRSZRBOJJAY-SFHVURJKSA-N 0 1 299.418 3.762 20 0 CHADMN CN(Cc1ccsc1)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929179307 1128262608 /nfs/dbraw/zinc/26/26/08/1128262608.db2.gz HHIAMKJNFYQMKF-VXGBXAGGSA-N 0 1 293.354 3.680 20 0 CHADMN Cc1nnsc1[C@H](C)N[C@H](c1ccccc1)C(C)C ZINC000929200100 1128264144 /nfs/dbraw/zinc/26/41/44/1128264144.db2.gz DYEHWFTYBGPMPV-FZMZJTMJSA-N 0 1 275.421 3.894 20 0 CHADMN C[C@H](NCC1(c2cccc(F)c2)CCC1)c1ncco1 ZINC000926922069 1128203201 /nfs/dbraw/zinc/20/32/01/1128203201.db2.gz GSEFAVUITRKEFO-LBPRGKRZSA-N 0 1 274.339 3.586 20 0 CHADMN FC(F)(F)[C@@H](Nc1ccc2nc[nH]c2c1)c1ccccn1 ZINC001168486049 1128265598 /nfs/dbraw/zinc/26/55/98/1128265598.db2.gz KEHBRTCWVSDIHK-ZDUSSCGKSA-N 0 1 292.264 3.673 20 0 CHADMN Cc1cnc(CN[C@H]2CCCc3ccc(O)cc32)c(C)c1 ZINC000926958431 1128205707 /nfs/dbraw/zinc/20/57/07/1128205707.db2.gz FAUHOCHXCWFJCB-KRWDZBQOSA-N 0 1 282.387 3.571 20 0 CHADMN Fc1cncc([C@H](N[C@@H]2CCCc3cccnc32)C2CC2)c1 ZINC000927061205 1128212257 /nfs/dbraw/zinc/21/22/57/1128212257.db2.gz LPYMBRJGPDJUJU-IAGOWNOFSA-N 0 1 297.377 3.734 20 0 CHADMN Cc1c([C@@H](C)N[C@@H]2CCCc3cccnc32)cnn1C(C)C ZINC000927060692 1128212514 /nfs/dbraw/zinc/21/25/14/1128212514.db2.gz DUCRTLXIBNFDMS-CXAGYDPISA-N 0 1 298.434 3.896 20 0 CHADMN C[C@@H](N[C@H]1CCCc2cccnc21)c1ccnc(Cl)c1 ZINC000927062928 1128213710 /nfs/dbraw/zinc/21/37/10/1128213710.db2.gz PQEZGZLWASKSTP-RISCZKNCSA-N 0 1 287.794 3.858 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1cc(F)cc(F)c1)c1cnn(C)c1 ZINC000927064963 1128214180 /nfs/dbraw/zinc/21/41/80/1128214180.db2.gz BUAVWQPIIJRLTL-BDJLRTHQSA-N 0 1 293.361 3.746 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1ccc(C)cc1C ZINC000073007082 1128214401 /nfs/dbraw/zinc/21/44/01/1128214401.db2.gz MCDRBCDCAPIROJ-LBPRGKRZSA-N 0 1 258.365 3.759 20 0 CHADMN Cc1nc(C)c([C@@H](C)N(C)C/C=C/c2ccncc2)s1 ZINC000494939205 1128215102 /nfs/dbraw/zinc/21/51/02/1128215102.db2.gz QNEXXZVNFRKQAW-URWSZGRFSA-N 0 1 287.432 3.861 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1ccc(Cl)nc1)c1cnn(C)c1 ZINC000927070564 1128215608 /nfs/dbraw/zinc/21/56/08/1128215608.db2.gz PDTIYOWVBOQYNR-NHYWBVRUSA-N 0 1 292.814 3.516 20 0 CHADMN C[C@@H](NCc1cccc2c1OCC2)c1ccc2c(c1)COC2 ZINC000927090136 1128216795 /nfs/dbraw/zinc/21/67/95/1128216795.db2.gz IONZOPPYFBNHCZ-CYBMUJFWSA-N 0 1 295.382 3.503 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cc(C3CC3)n(C)n1)[C@H](C)C2 ZINC000927109826 1128218573 /nfs/dbraw/zinc/21/85/73/1128218573.db2.gz YTPIPGAKVBZEBH-YJYMSZOUSA-N 0 1 295.430 3.629 20 0 CHADMN CCc1onc(C)c1CN[C@H]1CC(C)(C)Cc2occc21 ZINC000927140683 1128222302 /nfs/dbraw/zinc/22/23/02/1128222302.db2.gz SXBKIQLYNQHBNZ-AWEZNQCLSA-N 0 1 288.391 3.942 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2c3ccccc3CC[C@H]2O)oc1C ZINC000927140583 1128222308 /nfs/dbraw/zinc/22/23/08/1128222308.db2.gz SKYVCEBCFXGMDJ-NJAPINKUSA-N 0 1 285.387 3.595 20 0 CHADMN C[C@@H]1C[C@H](Nc2ccccc2CN2CCSCC2)[C@@H]1C ZINC000494998401 1128222891 /nfs/dbraw/zinc/22/28/91/1128222891.db2.gz PENKQOWMAIXNGM-CPUCHLNUSA-N 0 1 290.476 3.692 20 0 CHADMN Cc1cc(C)nc(CN(C)[C@H](C)c2cccs2)c1 ZINC000929284524 1128266983 /nfs/dbraw/zinc/26/69/83/1128266983.db2.gz UCXTXRYSSKBZJS-CYBMUJFWSA-N 0 1 260.406 3.953 20 0 CHADMN C[N@H+](Cc1c(F)cccc1Cl)C[C@@H]1CCSC1 ZINC000495063991 1128226559 /nfs/dbraw/zinc/22/65/59/1128226559.db2.gz HVXXFYYXYRFAOX-JTQLQIEISA-N 0 1 273.804 3.664 20 0 CHADMN CN(Cc1c(F)cccc1Cl)C[C@@H]1CCSC1 ZINC000495063991 1128226560 /nfs/dbraw/zinc/22/65/60/1128226560.db2.gz HVXXFYYXYRFAOX-JTQLQIEISA-N 0 1 273.804 3.664 20 0 CHADMN COc1ccccc1CN(C/C=C/c1ccncc1)C1CC1 ZINC000495060852 1128226656 /nfs/dbraw/zinc/22/66/56/1128226656.db2.gz SAIGLWYAIIZUPQ-SNAWJCMRSA-N 0 1 294.398 3.768 20 0 CHADMN CC[N@@H+](C/C=C/c1ccncc1)Cc1cccs1 ZINC000495058484 1128226985 /nfs/dbraw/zinc/22/69/85/1128226985.db2.gz JSZSKDPTXDPPCR-HWKANZROSA-N 0 1 258.390 3.678 20 0 CHADMN CCC[C@H](C)N1CC2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001257325826 1128235738 /nfs/dbraw/zinc/23/57/38/1128235738.db2.gz OORLSEPXRJIGPZ-AWEZNQCLSA-N 0 1 296.455 3.650 20 0 CHADMN CCc1nc(CN[C@@H]2C[C@H](OCC(C)C)C2(C)C)cs1 ZINC000336890693 1129227132 /nfs/dbraw/zinc/22/71/32/1129227132.db2.gz OBCVZCMDMLIJFP-KGLIPLIRSA-N 0 1 296.480 3.635 20 0 CHADMN CCN(Cc1ccc(Cl)cc1)Cc1cc(C)nnc1C ZINC000929379030 1128271953 /nfs/dbraw/zinc/27/19/53/1128271953.db2.gz HZSKFZBSOTVSKT-UHFFFAOYSA-N 0 1 289.810 3.769 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CC[C@@H](c2ccccc2F)C1 ZINC000929597026 1128278857 /nfs/dbraw/zinc/27/88/57/1128278857.db2.gz CVGTYHIMCSPYJM-TZMCWYRMSA-N 0 1 288.341 3.910 20 0 CHADMN Cc1nc2ccc(NC(=O)C[C@@H]3CCCC3(F)F)cc2[nH]1 ZINC000929611377 1128279206 /nfs/dbraw/zinc/27/92/06/1128279206.db2.gz KHPUTPUEAKMWAL-JTQLQIEISA-N 0 1 293.317 3.635 20 0 CHADMN C[C@H](c1ncccn1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000929621408 1128279672 /nfs/dbraw/zinc/27/96/72/1128279672.db2.gz CGYJQELEUKHYCL-TZMCWYRMSA-N 0 1 287.794 3.681 20 0 CHADMN CC(C)(C)c1nc(CN2CCC[C@@H]3CCC[C@@H]32)co1 ZINC000929713560 1128282933 /nfs/dbraw/zinc/28/29/33/1128282933.db2.gz UEDPUMRPFNNLDN-JSGCOSHPSA-N 0 1 262.397 3.737 20 0 CHADMN CCc1ncc(CN2CCC[C@H]2c2cccc(N(C)C)c2)o1 ZINC000929717432 1128283064 /nfs/dbraw/zinc/28/30/64/1128283064.db2.gz FHRIAHMHWLESTG-KRWDZBQOSA-N 0 1 299.418 3.640 20 0 CHADMN CCc1onc(C)c1CN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000929787526 1128287387 /nfs/dbraw/zinc/28/73/87/1128287387.db2.gz MORIDXYZWDEESU-PXAZEXFGSA-N 0 1 270.376 3.738 20 0 CHADMN CN(CCCC(C)(F)F)Cc1nc2c(s1)CCCC2 ZINC000929774620 1128286487 /nfs/dbraw/zinc/28/64/87/1128286487.db2.gz QPAUGWQVZAPYEL-UHFFFAOYSA-N 0 1 288.407 3.889 20 0 CHADMN Cc1nnsc1[C@H](C)N1CC=C(C(C)(C)C)CC1 ZINC000930102917 1128300746 /nfs/dbraw/zinc/30/07/46/1128300746.db2.gz QLXLSLXLIDRIMJ-NSHDSACASA-N 0 1 265.426 3.586 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@H](C2CC2)C1)c1nc(C(C)(C)C)no1 ZINC000262439941 1128297309 /nfs/dbraw/zinc/29/73/09/1128297309.db2.gz PQTDOQBUVCWHJC-FPMFFAJLSA-N 0 1 291.439 3.987 20 0 CHADMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1coc(C(C)(C)C)n1 ZINC000930176215 1128304794 /nfs/dbraw/zinc/30/47/94/1128304794.db2.gz WRFFSBAOVSLNKL-AAEUAGOBSA-N 0 1 250.386 3.735 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1coc(C(C)(C)C)n1 ZINC000930176215 1128304797 /nfs/dbraw/zinc/30/47/97/1128304797.db2.gz WRFFSBAOVSLNKL-AAEUAGOBSA-N 0 1 250.386 3.735 20 0 CHADMN Cc1nnsc1[C@@H](C)N[C@H](C)c1ccc(C)cc1 ZINC000930187989 1128305796 /nfs/dbraw/zinc/30/57/96/1128305796.db2.gz JVIWTAKKIJJILM-GHMZBOCLSA-N 0 1 261.394 3.567 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(OC(C)C)cc2)c(C)nn1 ZINC000930194200 1128306266 /nfs/dbraw/zinc/30/62/66/1128306266.db2.gz JXXIRHMWYDWLOR-AWEZNQCLSA-N 0 1 299.418 3.731 20 0 CHADMN Cc1cccc(-c2nnc([C@H](C)N3C4CCC3CC4)o2)c1 ZINC000915360081 1128308100 /nfs/dbraw/zinc/30/81/00/1128308100.db2.gz KCWSINNFAIIKPX-GRTSSRMGSA-N 0 1 283.375 3.733 20 0 CHADMN CCC[C@H](C)N(C)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000930222971 1128308355 /nfs/dbraw/zinc/30/83/55/1128308355.db2.gz SMCPXZAXWGGSAQ-AWEZNQCLSA-N 0 1 292.423 3.526 20 0 CHADMN C[C@@H](NCC1(C)CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000762640830 1128312327 /nfs/dbraw/zinc/31/23/27/1128312327.db2.gz KMMTUMWISFPEKP-SNVBAGLBSA-N 0 1 291.782 3.841 20 0 CHADMN CSc1ccc([C@@H](C)N[C@@H](C)c2snnc2C)cc1 ZINC000930317828 1128313317 /nfs/dbraw/zinc/31/33/17/1128313317.db2.gz FVKMHZICABQECQ-ZJUUUORDSA-N 0 1 293.461 3.980 20 0 CHADMN COC/C(C)=C/CN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000930281570 1128311690 /nfs/dbraw/zinc/31/16/90/1128311690.db2.gz ZTZBMOGKYGXJRS-SKTWIKFTSA-N 0 1 296.414 3.662 20 0 CHADMN CCc1ncc(C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)o1 ZINC000930473762 1128320594 /nfs/dbraw/zinc/32/05/94/1128320594.db2.gz BYJUIRFQEIOHAZ-XJKSGUPXSA-N 0 1 270.376 3.820 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CCC[C@H](CC(F)(F)F)C1 ZINC000930747960 1128334280 /nfs/dbraw/zinc/33/42/80/1128334280.db2.gz HKFFQBCPNHHHGG-GHMZBOCLSA-N 0 1 290.304 3.946 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000930747961 1128334296 /nfs/dbraw/zinc/33/42/96/1128334296.db2.gz HKFFQBCPNHHHGG-MNOVXSKESA-N 0 1 290.304 3.946 20 0 CHADMN COC[C@@]1(C)CCN(Cc2nc(C)c(C(C)(C)C)s2)C1 ZINC000930603194 1128327035 /nfs/dbraw/zinc/32/70/35/1128327035.db2.gz IPEDXGKWTLSCBF-INIZCTEOSA-N 0 1 296.480 3.607 20 0 CHADMN C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C1CC1 ZINC000915507738 1128328541 /nfs/dbraw/zinc/32/85/41/1128328541.db2.gz PJCWEVKTHKASKK-MRVPVSSYSA-N 0 1 263.341 3.501 20 0 CHADMN Cc1cc(CN2CCC(n3c(C)ccc3C)CC2)sn1 ZINC000637992154 1128328918 /nfs/dbraw/zinc/32/89/18/1128328918.db2.gz QYFIPUFTIUEMPT-UHFFFAOYSA-N 0 1 289.448 3.707 20 0 CHADMN COc1cc(CN(C)Cc2cccc(C)c2)cc(F)c1F ZINC001235434519 1128331049 /nfs/dbraw/zinc/33/10/49/1128331049.db2.gz RQGCSHANUKJMJH-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN OCC[C@H](NCc1ccccc1CF)c1ccccc1F ZINC000930823010 1128336109 /nfs/dbraw/zinc/33/61/09/1128336109.db2.gz ZNQKPGUJKBRIMT-KRWDZBQOSA-N 0 1 291.341 3.509 20 0 CHADMN CCc1ncc(C[N@H+]2CC[C@@](C)(c3cccc(F)c3)C2)o1 ZINC000930845766 1128337585 /nfs/dbraw/zinc/33/75/85/1128337585.db2.gz LGNAOXKFMNDZEU-QGZVFWFLSA-N 0 1 288.366 3.540 20 0 CHADMN CCc1ncc(CN2CC[C@@](C)(c3cccc(F)c3)C2)o1 ZINC000930845766 1128337589 /nfs/dbraw/zinc/33/75/89/1128337589.db2.gz LGNAOXKFMNDZEU-QGZVFWFLSA-N 0 1 288.366 3.540 20 0 CHADMN COc1cccc2c1CN([C@H](C)Cc1cccc(F)c1)C2 ZINC001168499202 1128338450 /nfs/dbraw/zinc/33/84/50/1128338450.db2.gz XVPPCCJJSFTOFM-CYBMUJFWSA-N 0 1 285.362 3.781 20 0 CHADMN CC(C)(C)N(Cc1ccsc1)Cc1cnn(CCF)c1 ZINC000930922471 1128340352 /nfs/dbraw/zinc/34/03/52/1128340352.db2.gz KQYSVUJHPIPATJ-UHFFFAOYSA-N 0 1 295.427 3.715 20 0 CHADMN COC/C(C)=C/CN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000930964086 1128341874 /nfs/dbraw/zinc/34/18/74/1128341874.db2.gz ATQWMCKQEBJPMD-KAMPRCONSA-N 0 1 275.392 3.789 20 0 CHADMN Cc1nc(C)c(CN[C@H](c2ccccc2F)C(C)C)[nH]1 ZINC000930968303 1128342109 /nfs/dbraw/zinc/34/21/09/1128342109.db2.gz DQZUJRFSVUJALZ-INIZCTEOSA-N 0 1 275.371 3.653 20 0 CHADMN Cc1ccnc(CN2CC[C@@H](C)C(F)(F)CC2)c1Cl ZINC001235577308 1128342768 /nfs/dbraw/zinc/34/27/68/1128342768.db2.gz QRWOVSSCKLTYDY-LLVKDONJSA-N 0 1 288.769 3.911 20 0 CHADMN COCCN(C)Cc1cc(Cl)c(Cl)c(Cl)c1 ZINC001235590415 1128343065 /nfs/dbraw/zinc/34/30/65/1128343065.db2.gz ITGVMQUUKOIPQU-UHFFFAOYSA-N 0 1 282.598 3.725 20 0 CHADMN CC(C)(O)C(C)(C)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000393671212 1128344651 /nfs/dbraw/zinc/34/46/51/1128344651.db2.gz POUNYOLLSUQHPU-KRWDZBQOSA-N 0 1 298.430 3.558 20 0 CHADMN CC[C@H](c1ccccc1)N(Cc1cn(CC)nn1)C(C)C ZINC000931063296 1128345537 /nfs/dbraw/zinc/34/55/37/1128345537.db2.gz FBPUWFXXLBNUBW-QGZVFWFLSA-N 0 1 286.423 3.660 20 0 CHADMN Clc1ccc(CN2CCCC[C@H]2CC2CCC2)nn1 ZINC000931067574 1128346435 /nfs/dbraw/zinc/34/64/35/1128346435.db2.gz QSJVFLXCTBXSBD-AWEZNQCLSA-N 0 1 279.815 3.675 20 0 CHADMN c1nc(C2CC2)oc1CN1CC2CC1(c1ccccc1)C2 ZINC000931079492 1128346872 /nfs/dbraw/zinc/34/68/72/1128346872.db2.gz QQGVZRFBJHPBBZ-UHFFFAOYSA-N 0 1 280.371 3.673 20 0 CHADMN CC(C)(C)[C@H](O)CN1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000561784292 1128353065 /nfs/dbraw/zinc/35/30/65/1128353065.db2.gz JZJWZRICRNWSMC-ZBFHGGJFSA-N 0 1 299.817 3.618 20 0 CHADMN CC(C)(C)c1nc(CN2CCCC3(CC3)CC2)co1 ZINC000931333659 1128357487 /nfs/dbraw/zinc/35/74/87/1128357487.db2.gz BPUHTNCCXPXJJP-UHFFFAOYSA-N 0 1 262.397 3.738 20 0 CHADMN CSC1CCN(Cc2c(F)ccc(C)c2F)CC1 ZINC000931377104 1128359256 /nfs/dbraw/zinc/35/92/56/1128359256.db2.gz HTHBRWVLUTXIKX-UHFFFAOYSA-N 0 1 271.376 3.601 20 0 CHADMN FC(F)C1(NC[C@H]2Cc3ccccc32)CCCCC1 ZINC000561875260 1128359559 /nfs/dbraw/zinc/35/95/59/1128359559.db2.gz BDOVUNKJPSONIM-CYBMUJFWSA-N 0 1 265.347 3.884 20 0 CHADMN Cc1cc(-c2noc([C@@H]3CC=CC[C@H]3C)n2)cc2nc[nH]c21 ZINC000561898270 1128360417 /nfs/dbraw/zinc/36/04/17/1128360417.db2.gz JEXRMRIXHFCONE-ZWNOBZJWSA-N 0 1 294.358 3.991 20 0 CHADMN CC(C)c1ccc(CN2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000054345943 1128360786 /nfs/dbraw/zinc/36/07/86/1128360786.db2.gz XAZCUVDMXRKZPW-DLBZAZTESA-N 0 1 259.393 3.563 20 0 CHADMN Cc1cc(CN[C@H]2CSc3ccccc32)cc(C)c1O ZINC000561953138 1128365084 /nfs/dbraw/zinc/36/50/84/1128365084.db2.gz HXSRLHFNHNHIPH-HNNXBMFYSA-N 0 1 285.412 3.946 20 0 CHADMN Cc1ccsc1CN1CCOc2ccc(C)cc2C1 ZINC000561968675 1128366027 /nfs/dbraw/zinc/36/60/27/1128366027.db2.gz DWFJQHIBSKNKSA-UHFFFAOYSA-N 0 1 273.401 3.760 20 0 CHADMN CC(C)(C)c1n[nH]c(S[C@H]2CCc3ccccc3C2)n1 ZINC000763180588 1128367446 /nfs/dbraw/zinc/36/74/46/1128367446.db2.gz NHLDEVONIYOCKZ-ZDUSSCGKSA-N 0 1 287.432 3.752 20 0 CHADMN CC(C)(C)c1nc(S[C@H]2CCc3ccccc3C2)n[nH]1 ZINC000763180588 1128367449 /nfs/dbraw/zinc/36/74/49/1128367449.db2.gz NHLDEVONIYOCKZ-ZDUSSCGKSA-N 0 1 287.432 3.752 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H](C)c2ccc(F)cc2C)cn1 ZINC000932563066 1128415335 /nfs/dbraw/zinc/41/53/35/1128415335.db2.gz XMTVAQWOXVCNTG-STQMWFEESA-N 0 1 273.355 3.644 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)nc1)c1cc2cnccc2o1 ZINC000931565996 1128370005 /nfs/dbraw/zinc/37/00/05/1128370005.db2.gz SZMVAJXKQQBVJY-WDEREUQCSA-N 0 1 285.322 3.774 20 0 CHADMN C[C@@H](CN1CCO[C@H](c2ccsc2)C1)C(C)(C)C ZINC000670265075 1128375457 /nfs/dbraw/zinc/37/54/57/1128375457.db2.gz KUMORFWMQSSPLS-JSGCOSHPSA-N 0 1 267.438 3.804 20 0 CHADMN CCn1c2ccccc2nc1C[N@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000562207602 1128386794 /nfs/dbraw/zinc/38/67/94/1128386794.db2.gz MSXNRKVEJRWHTF-SFHVURJKSA-N 0 1 295.430 3.821 20 0 CHADMN CCn1c2ccccc2nc1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC000562207602 1128386797 /nfs/dbraw/zinc/38/67/97/1128386797.db2.gz MSXNRKVEJRWHTF-SFHVURJKSA-N 0 1 295.430 3.821 20 0 CHADMN FCc1ccccc1CN[C@H](c1ccccn1)C1CC1 ZINC000932381617 1128406506 /nfs/dbraw/zinc/40/65/06/1128406506.db2.gz AMOSPRKGMAYWLM-KRWDZBQOSA-N 0 1 270.351 3.792 20 0 CHADMN COC(C)(C)[C@H](C)NCc1nc(-c2ccsc2)oc1C ZINC000932370420 1128406604 /nfs/dbraw/zinc/40/66/04/1128406604.db2.gz RFTQYBVJBFFORN-NSHDSACASA-N 0 1 294.420 3.615 20 0 CHADMN COc1cccc(CN[C@H](c2ccccn2)C2CC2)c1C ZINC000932387426 1128407093 /nfs/dbraw/zinc/40/70/93/1128407093.db2.gz XXKOTUPYGPPOEG-SFHVURJKSA-N 0 1 282.387 3.640 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1Cl ZINC000328190080 1128408509 /nfs/dbraw/zinc/40/85/09/1128408509.db2.gz CTOLHKOIMUUZIX-DGCLKSJQSA-N 0 1 265.784 3.810 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1Cl ZINC000328190080 1128408511 /nfs/dbraw/zinc/40/85/11/1128408511.db2.gz CTOLHKOIMUUZIX-DGCLKSJQSA-N 0 1 265.784 3.810 20 0 CHADMN CC(=O)c1cccc(CN2CCC(F)(C3CC3)CC2)c1 ZINC000932625029 1128418082 /nfs/dbraw/zinc/41/80/82/1128418082.db2.gz SZMBTTZTQDEEEC-UHFFFAOYSA-N 0 1 275.367 3.603 20 0 CHADMN CN(CCSc1ccc(F)cc1F)Cc1cccnc1 ZINC000660126775 1128410291 /nfs/dbraw/zinc/41/02/91/1128410291.db2.gz VTWNBCLIVAAZHT-UHFFFAOYSA-N 0 1 294.370 3.584 20 0 CHADMN Cc1ncsc1CN(Cc1ccccn1)CC(C)C ZINC000932449626 1128411243 /nfs/dbraw/zinc/41/12/43/1128411243.db2.gz QUHDVYXGXHUFOG-UHFFFAOYSA-N 0 1 275.421 3.505 20 0 CHADMN CC(C)(C)c1nc(CN2CC[C@@H]3CCCC[C@@H]32)co1 ZINC000930810317 1128335818 /nfs/dbraw/zinc/33/58/18/1128335818.db2.gz PIEOZQPJVFMFFF-JSGCOSHPSA-N 0 1 262.397 3.737 20 0 CHADMN C[C@@H]1CC[C@H](C)[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328276851 1128420214 /nfs/dbraw/zinc/42/02/14/1128420214.db2.gz XZYJPDYOLJVTPC-MNOVXSKESA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328276851 1128420216 /nfs/dbraw/zinc/42/02/16/1128420216.db2.gz XZYJPDYOLJVTPC-MNOVXSKESA-N 0 1 253.773 3.666 20 0 CHADMN FC1(CNc2ccc3nc(-c4ccccn4)[nH]c3c2)CC1 ZINC000562825956 1128422725 /nfs/dbraw/zinc/42/27/25/1128422725.db2.gz BSWJAHCFEHCZOT-UHFFFAOYSA-N 0 1 282.322 3.539 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2coc(C(C)(C)C)n2)n1 ZINC000916545983 1128423965 /nfs/dbraw/zinc/42/39/65/1128423965.db2.gz ZVHBOQCOPPNJKK-UHFFFAOYSA-N 0 1 294.424 3.680 20 0 CHADMN CC(C)(C)c1nc(SCc2coc(C(C)(C)C)n2)n[nH]1 ZINC000916545983 1128423966 /nfs/dbraw/zinc/42/39/66/1128423966.db2.gz ZVHBOQCOPPNJKK-UHFFFAOYSA-N 0 1 294.424 3.680 20 0 CHADMN Clc1nc(CN2C[C@H](C3CC3)C[C@@H]2C2CC2)cs1 ZINC000932892566 1128425936 /nfs/dbraw/zinc/42/59/36/1128425936.db2.gz XSVVCYKBOXUGEK-DGCLKSJQSA-N 0 1 282.840 3.807 20 0 CHADMN C[C@@H](NCc1cccc(F)c1)c1ccc(F)cc1N(C)C ZINC000124329602 1128444095 /nfs/dbraw/zinc/44/40/95/1128444095.db2.gz AYWYLUJSHPXLLP-GFCCVEGCSA-N 0 1 290.357 3.882 20 0 CHADMN CCCc1ccc([C@H](C)NCc2cccnc2OC)cc1 ZINC000037650435 1128434944 /nfs/dbraw/zinc/43/49/44/1128434944.db2.gz BRDAQMZMSQUYNJ-AWEZNQCLSA-N 0 1 284.403 3.894 20 0 CHADMN CCCN(C)Cc1cc(Br)ccc1Cl ZINC000496981764 1128435113 /nfs/dbraw/zinc/43/51/13/1128435113.db2.gz HRYNSCHOHDWGBU-UHFFFAOYSA-N 0 1 276.605 3.944 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cnc(C)cn2)cc1C ZINC000933483840 1128435492 /nfs/dbraw/zinc/43/54/92/1128435492.db2.gz NBYXLSGHASJUIK-ZIAGYGMSSA-N 0 1 285.391 3.514 20 0 CHADMN C[C@H](NCc1ccc(F)nc1)c1ccc2ncsc2c1 ZINC000778181164 1128438929 /nfs/dbraw/zinc/43/89/29/1128438929.db2.gz ZOFLIOMOKIWQRN-JTQLQIEISA-N 0 1 287.363 3.681 20 0 CHADMN C[C@@H](N[C@@H](C)C1CCCC1)c1noc(-c2ccccc2)n1 ZINC000124476349 1128444717 /nfs/dbraw/zinc/44/47/17/1128444717.db2.gz SGZPZXOXAASESI-QWHCGFSZSA-N 0 1 285.391 3.966 20 0 CHADMN CSCc1ccccc1NC(=O)c1c(O)cccc1F ZINC000125145136 1128448068 /nfs/dbraw/zinc/44/80/68/1128448068.db2.gz XOXVLBNJQOLGMP-UHFFFAOYSA-N 0 1 291.347 3.647 20 0 CHADMN CC[C@@H]1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000125382170 1128449178 /nfs/dbraw/zinc/44/91/78/1128449178.db2.gz CGBNFWNLOXRASK-LLVKDONJSA-N 0 1 291.782 3.622 20 0 CHADMN CCn1cc(CN[C@H](C)c2c(C)oc3ccccc32)cn1 ZINC000925430879 1128453550 /nfs/dbraw/zinc/45/35/50/1128453550.db2.gz YQQRXAWBTIVEOR-GFCCVEGCSA-N 0 1 283.375 3.808 20 0 CHADMN CC[C@H]1CCN(Cc2nc(C(C)(C)C)cs2)C1 ZINC000125393549 1128450018 /nfs/dbraw/zinc/45/00/18/1128450018.db2.gz XGLDXXPBUWBUFS-NSHDSACASA-N 0 1 252.427 3.673 20 0 CHADMN CC(C)CC1CCN(Cc2ccc(Cl)cn2)CC1 ZINC000778218418 1128450004 /nfs/dbraw/zinc/45/00/04/1128450004.db2.gz SUWLLBROOICFEX-UHFFFAOYSA-N 0 1 266.816 3.993 20 0 CHADMN CCC1(NC(=O)c2cccc3nc(C(F)F)[nH]c32)CCC1 ZINC000934057608 1128450405 /nfs/dbraw/zinc/45/04/05/1128450405.db2.gz MZWRSNTUTVNAJX-UHFFFAOYSA-N 0 1 293.317 3.563 20 0 CHADMN CCc1ccc(/C=C/c2nc(C3(N)CCCC3)no2)cc1 ZINC000563121308 1128450735 /nfs/dbraw/zinc/45/07/35/1128450735.db2.gz KRROTLFTTRPXNW-MDZDMXLPSA-N 0 1 283.375 3.530 20 0 CHADMN C[C@@H](Cc1cccnc1)NCc1c(Cl)cncc1Cl ZINC000934227810 1128455337 /nfs/dbraw/zinc/45/53/37/1128455337.db2.gz RYHAUJMDAQJWPS-JTQLQIEISA-N 0 1 296.201 3.504 20 0 CHADMN C[C@H]1CSCCC[N@H+]1Cc1cnc(-c2ccccc2)o1 ZINC000934296398 1128456836 /nfs/dbraw/zinc/45/68/36/1128456836.db2.gz GMQDDTBLETXRKS-ZDUSSCGKSA-N 0 1 288.416 3.669 20 0 CHADMN C[C@H](NCc1ccc(F)cc1)c1cnn(CC2CCC2)c1 ZINC000934555033 1128463347 /nfs/dbraw/zinc/46/33/47/1128463347.db2.gz XBUIWVHFKLQOKZ-ZDUSSCGKSA-N 0 1 287.382 3.673 20 0 CHADMN CSCC(C)(C)NCc1nc(-c2ccsc2)oc1C ZINC000934674738 1128466064 /nfs/dbraw/zinc/46/60/64/1128466064.db2.gz PNWPLIBLJHAGSW-UHFFFAOYSA-N 0 1 296.461 3.943 20 0 CHADMN Fc1ccc(F)c(CN[C@H](c2ccncc2)C2CC2)c1 ZINC000934685700 1128466328 /nfs/dbraw/zinc/46/63/28/1128466328.db2.gz CSWYCWVAZHNNSK-INIZCTEOSA-N 0 1 274.314 3.601 20 0 CHADMN CCC[C@H](C)CC[C@H](C)NCc1nccc(Cl)n1 ZINC001257470119 1128467795 /nfs/dbraw/zinc/46/77/95/1128467795.db2.gz FPSDKGHELPQBLA-RYUDHWBXSA-N 0 1 269.820 3.825 20 0 CHADMN CCC[C@@H](C)CC[C@H](C)N[C@H](C)c1ncc(F)cn1 ZINC001257470349 1128468530 /nfs/dbraw/zinc/46/85/30/1128468530.db2.gz GVCMQEOJYLPTCX-FRRDWIJNSA-N 0 1 267.392 3.871 20 0 CHADMN CCOc1ccc(CCN(C)[C@@H](C)c2ncc(C)o2)cc1 ZINC000934722464 1128468645 /nfs/dbraw/zinc/46/86/45/1128468645.db2.gz SSAJCCLASPIALW-AWEZNQCLSA-N 0 1 288.391 3.617 20 0 CHADMN CO[C@@H](C)c1nc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)cs1 ZINC000934761963 1128469194 /nfs/dbraw/zinc/46/91/94/1128469194.db2.gz CEZHAWRJSBDOMI-YUTCNCBUSA-N 0 1 294.464 3.861 20 0 CHADMN C(NC1(C2CCCCC2)CC1)c1nc2c(o1)CCCC2 ZINC000934789172 1128469427 /nfs/dbraw/zinc/46/94/27/1128469427.db2.gz FLJHXKOPKKILIY-UHFFFAOYSA-N 0 1 274.408 3.756 20 0 CHADMN C[C@@H]1CCN(Cc2nnc(C(C)(C)C)o2)[C@H]2CCCC[C@@H]12 ZINC000917053139 1128470414 /nfs/dbraw/zinc/47/04/14/1128470414.db2.gz NRJHZYLTCHGRTA-RDBSUJKOSA-N 0 1 291.439 3.768 20 0 CHADMN Fc1cccc(CN(C[C@H]2CC2(Cl)Cl)C2CC2)c1 ZINC000917066365 1128474252 /nfs/dbraw/zinc/47/42/52/1128474252.db2.gz ANFXJOGUAIGZMI-LLVKDONJSA-N 0 1 288.193 3.984 20 0 CHADMN Cc1ncsc1C[N@@H+](C)CCc1ccccc1Cl ZINC000066562578 1128474437 /nfs/dbraw/zinc/47/44/37/1128474437.db2.gz BLOLCYNYTWWTRC-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN O=C(c1cc(F)cc(F)c1O)N1CCCC12CCCCC2 ZINC000935120423 1128479987 /nfs/dbraw/zinc/47/99/87/1128479987.db2.gz IGWVQUTUUUEJTG-UHFFFAOYSA-N 0 1 295.329 3.609 20 0 CHADMN Cc1cccc(CN[C@H]2CSCCc3ccccc32)n1 ZINC000127305441 1128475915 /nfs/dbraw/zinc/47/59/15/1128475915.db2.gz VMRDWCLAMSXFAN-KRWDZBQOSA-N 0 1 284.428 3.510 20 0 CHADMN c1c[nH]c([C@@H]2CCCN2Cc2c[nH]nc2-c2cccs2)c1 ZINC000127438022 1128478170 /nfs/dbraw/zinc/47/81/70/1128478170.db2.gz MNUWSBGGYFBJRE-AWEZNQCLSA-N 0 1 298.415 3.803 20 0 CHADMN CCCC[C@H](CC)C[N@@H+](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000563893220 1128483816 /nfs/dbraw/zinc/48/38/16/1128483816.db2.gz YADFBJVEHZZUIA-DOTOQJQBSA-N 0 1 291.435 3.831 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1cc(F)cc2cccnc21 ZINC000127932780 1128484554 /nfs/dbraw/zinc/48/45/54/1128484554.db2.gz RVACGIWVEFOHCV-CYBMUJFWSA-N 0 1 295.361 3.962 20 0 CHADMN CCC[C@@H](C)CC[C@H](C)N1CCn2c(cnc2C)C1 ZINC001257478005 1128487078 /nfs/dbraw/zinc/48/70/78/1128487078.db2.gz PYRVLPVFAQDPHZ-KGLIPLIRSA-N 0 1 263.429 3.612 20 0 CHADMN CC(=O)c1cc(CN(C)[C@@H]2CCC[C@@H]2c2ccccc2)on1 ZINC000563970002 1128487888 /nfs/dbraw/zinc/48/78/88/1128487888.db2.gz GSUIUQVZQDWSDW-SJLPKXTDSA-N 0 1 298.386 3.645 20 0 CHADMN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccccn2)c1 ZINC000089724736 1128492251 /nfs/dbraw/zinc/49/22/51/1128492251.db2.gz GYTKQRGVSIINTO-GOEBONIOSA-N 0 1 295.386 3.613 20 0 CHADMN Cc1cc(CN[C@@H]2c3ccccc3O[C@@H]2C)c(C)s1 ZINC000564123115 1128494445 /nfs/dbraw/zinc/49/44/45/1128494445.db2.gz DRFLCBZGNUPJRZ-BZNIZROVSA-N 0 1 273.401 3.977 20 0 CHADMN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccccn2)c1 ZINC000089724738 1128492092 /nfs/dbraw/zinc/49/20/92/1128492092.db2.gz GYTKQRGVSIINTO-GDBMZVCRSA-N 0 1 295.386 3.613 20 0 CHADMN CCCc1ccccc1NC(=O)c1c(O)cccc1F ZINC000128555854 1128502553 /nfs/dbraw/zinc/50/25/53/1128502553.db2.gz OOZBJNAXCWJPFZ-UHFFFAOYSA-N 0 1 273.307 3.736 20 0 CHADMN Cc1cccc(N2CCN([C@H](C)c3ccccn3)CC2)c1C ZINC000128514813 1128500660 /nfs/dbraw/zinc/50/06/60/1128500660.db2.gz YOIOSKZWGBMUFQ-QGZVFWFLSA-N 0 1 295.430 3.582 20 0 CHADMN CCCN(Cc1ccc(C)cc1)Cn1cccnc1=S ZINC000917455143 1128501229 /nfs/dbraw/zinc/50/12/29/1128501229.db2.gz RKPNRCWBRFDZBS-UHFFFAOYSA-N 0 1 287.432 3.791 20 0 CHADMN CC[C@H](C)N(C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000068449879 1128511491 /nfs/dbraw/zinc/51/14/91/1128511491.db2.gz XAQUNVSLNSMQQS-VIFPVBQESA-N 0 1 289.206 3.662 20 0 CHADMN CC[N@@H+](CCC(C)(C)CC)C1CCC(C(=O)[O-])CC1 ZINC000564586156 1128512649 /nfs/dbraw/zinc/51/26/49/1128512649.db2.gz PHGYAIAJZMRODX-UHFFFAOYSA-N 0 1 269.429 3.778 20 0 CHADMN CCC(CC)C[N@@H+](CC)[C@H](C(=O)[O-])c1ccsc1 ZINC000564738737 1128514763 /nfs/dbraw/zinc/51/47/63/1128514763.db2.gz NKISVOPUSFKTSF-ZDUSSCGKSA-N 0 1 269.410 3.632 20 0 CHADMN CCCC[C@H](CC)CCN1CCOC[C@@H]1CC(F)F ZINC000564757661 1128514803 /nfs/dbraw/zinc/51/48/03/1128514803.db2.gz VTIVGCHPSATMDN-KBPBESRZSA-N 0 1 277.399 3.949 20 0 CHADMN CN(Cc1cnc(C2CCCCC2)s1)CC(C)(C)CO ZINC000564775381 1128515443 /nfs/dbraw/zinc/51/54/43/1128515443.db2.gz FYUNZSBNVCAYBD-UHFFFAOYSA-N 0 1 296.480 3.641 20 0 CHADMN Cc1cnccc1CCN(C)[C@H](C)c1c(F)cccc1F ZINC000564911413 1128517011 /nfs/dbraw/zinc/51/70/11/1128517011.db2.gz XTOUHODJLRMMCB-CYBMUJFWSA-N 0 1 290.357 3.904 20 0 CHADMN C[N@@H+](CC[C@H](C(=O)[O-])c1ccccc1)C1CCCCCC1 ZINC000565105668 1128519788 /nfs/dbraw/zinc/51/97/88/1128519788.db2.gz UPXRZCOLUPTCLG-KRWDZBQOSA-N 0 1 289.419 3.900 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000565112076 1128520142 /nfs/dbraw/zinc/52/01/42/1128520142.db2.gz GXUOSZMBOVPGIJ-DIOULYMOSA-N 0 1 295.810 3.834 20 0 CHADMN COc1ccc([C@@H](C)NCc2c(C)nsc2C)cc1F ZINC000565167312 1128521406 /nfs/dbraw/zinc/52/14/06/1128521406.db2.gz WBTGFNDCFWZKJP-SECBINFHSA-N 0 1 294.395 3.758 20 0 CHADMN Cc1cnn(C)c1CN(C)[C@H](c1ccc(F)cc1)C(C)C ZINC000565448592 1128526847 /nfs/dbraw/zinc/52/68/47/1128526847.db2.gz BOLYGRGDAOCMPZ-KRWDZBQOSA-N 0 1 289.398 3.697 20 0 CHADMN CC(=O)c1cc(CN2C[C@H](c3ccc(C)cc3)C[C@H]2C)on1 ZINC000565607155 1128528918 /nfs/dbraw/zinc/52/89/18/1128528918.db2.gz NYBNAAPOGLLPKK-CZUORRHYSA-N 0 1 298.386 3.564 20 0 CHADMN CCCCCCNC(=O)CN(C)[C@@H](C)c1ccccc1C ZINC000918024094 1128530695 /nfs/dbraw/zinc/53/06/95/1128530695.db2.gz SLIAVNFSXCZTQP-INIZCTEOSA-N 0 1 290.451 3.684 20 0 CHADMN Cc1ccccc1[C@H](CC(C)C)NCc1cnccn1 ZINC000565701558 1128531033 /nfs/dbraw/zinc/53/10/33/1128531033.db2.gz KFZGITSRLSTRAJ-KRWDZBQOSA-N 0 1 269.392 3.662 20 0 CHADMN C[C@H](c1ccco1)N(C)Cc1ccc(-n2cccn2)cc1 ZINC000069065037 1128533245 /nfs/dbraw/zinc/53/32/45/1128533245.db2.gz IMKMXZPIEJCKIY-CQSZACIVSA-N 0 1 281.359 3.658 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2ccco2)cc1F ZINC000069069467 1128533483 /nfs/dbraw/zinc/53/34/83/1128533483.db2.gz JZMRSQVQNHMJRQ-NSHDSACASA-N 0 1 263.312 3.620 20 0 CHADMN CC(C)n1cc([C@H](C)NCc2ccc(Cl)cc2)cn1 ZINC000565968358 1128536163 /nfs/dbraw/zinc/53/61/63/1128536163.db2.gz GYYYZDJMMQYVID-LBPRGKRZSA-N 0 1 277.799 3.968 20 0 CHADMN CCCCOc1ccc(-c2nc([C@@H](N)C(C)C)no2)cc1 ZINC000041123409 1128536388 /nfs/dbraw/zinc/53/63/88/1128536388.db2.gz WXECPPMOIRUCBR-AWEZNQCLSA-N 0 1 289.379 3.571 20 0 CHADMN Cc1ccc(C(C)(C)C[N@@H+](C)CCCCCC(=O)[O-])cc1 ZINC000566361749 1128542367 /nfs/dbraw/zinc/54/23/67/1128542367.db2.gz LTGCKUVXULMHSS-UHFFFAOYSA-N 0 1 291.435 3.849 20 0 CHADMN CC(C)CC[N@@H+](CC[C@@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000566359054 1128542739 /nfs/dbraw/zinc/54/27/39/1128542739.db2.gz DMYBBTIHBLYBDV-QGZVFWFLSA-N 0 1 289.419 3.755 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])C[C@H]1C ZINC000566360404 1128542831 /nfs/dbraw/zinc/54/28/31/1128542831.db2.gz YFNXCGQLJQVTCW-WDEREUQCSA-N 0 1 281.783 3.516 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000566359091 1128542842 /nfs/dbraw/zinc/54/28/42/1128542842.db2.gz PNQDHRIWOYBQKN-GFCCVEGCSA-N 0 1 267.394 3.530 20 0 CHADMN Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000566366706 1128543650 /nfs/dbraw/zinc/54/36/50/1128543650.db2.gz CHYZZXVCRKULJF-ACJLOTCBSA-N 0 1 297.398 3.833 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cnn(C(C)(C)C)c2)c1 ZINC000566600557 1128547168 /nfs/dbraw/zinc/54/71/68/1128547168.db2.gz RVQHLEFXHPNQRC-UHFFFAOYSA-N 0 1 285.435 3.887 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCC1CCCC1 ZINC000918506359 1128548645 /nfs/dbraw/zinc/54/86/45/1128548645.db2.gz BXNOONDJPIKNFV-UHFFFAOYSA-N 0 1 284.359 3.732 20 0 CHADMN Cc1oc2ccccc2c1CNCc1ccc2c(n1)CCC2 ZINC000566724163 1128549882 /nfs/dbraw/zinc/54/98/82/1128549882.db2.gz HLANLDHSVFJRHG-UHFFFAOYSA-N 0 1 292.382 3.915 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@@H+]1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000566920077 1128554098 /nfs/dbraw/zinc/55/40/98/1128554098.db2.gz FYVSPLQGXZPOPC-KRWDZBQOSA-N 0 1 287.403 3.646 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)o1 ZINC000566921233 1128554282 /nfs/dbraw/zinc/55/42/82/1128554282.db2.gz YCTPSFYJRSLFJH-CDNLZTBQSA-N 0 1 297.354 3.656 20 0 CHADMN C[C@@H](N[C@H](C)c1cnccn1)c1ccc2c(c1)CCCC2 ZINC000070478647 1128565426 /nfs/dbraw/zinc/56/54/26/1128565426.db2.gz FZJANMBDXCNOCH-ZIAGYGMSSA-N 0 1 281.403 3.767 20 0 CHADMN C[C@@H](NCc1ccc(Cl)o1)c1ccc(F)cc1 ZINC000037487111 1128566139 /nfs/dbraw/zinc/56/61/39/1128566139.db2.gz RVCMNJURIYVPPI-SECBINFHSA-N 0 1 253.704 3.923 20 0 CHADMN CC[N@@H+](Cc1ccccc1Cl)C1CCC(C(=O)[O-])CC1 ZINC000567754284 1128571514 /nfs/dbraw/zinc/57/15/14/1128571514.db2.gz WVOJKUBOBZJMIU-UHFFFAOYSA-N 0 1 295.810 3.805 20 0 CHADMN CC(C)C[C@@H]1CCCN1Cc1ncc(C(C)(C)C)o1 ZINC000130248006 1128575112 /nfs/dbraw/zinc/57/51/12/1128575112.db2.gz BXSHTHRISSKONR-ZDUSSCGKSA-N 0 1 264.413 3.983 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000568061956 1128576761 /nfs/dbraw/zinc/57/67/61/1128576761.db2.gz YEZVPNQZSLZDLE-RBZYPMLTSA-N 0 1 299.773 3.583 20 0 CHADMN Cc1csc([C@H](C)NCc2ccnc3ccccc23)n1 ZINC000070977020 1128581843 /nfs/dbraw/zinc/58/18/43/1128581843.db2.gz APYNRYCFBYPOFR-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN CCOc1ccccc1CN(C)Cc1ccc2c[nH]nc2c1 ZINC000130432469 1128582731 /nfs/dbraw/zinc/58/27/31/1128582731.db2.gz SWHWKKDYZVEVQH-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN CN(Cc1cc(-c2ccccc2)no1)Cc1ccccc1 ZINC000054115135 1128583530 /nfs/dbraw/zinc/58/35/30/1128583530.db2.gz GCGPNSRXXCOMNY-UHFFFAOYSA-N 0 1 278.355 3.974 20 0 CHADMN CCN(Cc1ccc2c(n1)CCC2)[C@@H](C)c1cccc(O)c1 ZINC000568363387 1128583683 /nfs/dbraw/zinc/58/36/83/1128583683.db2.gz NQTYEGPTXNHNOL-AWEZNQCLSA-N 0 1 296.414 3.859 20 0 CHADMN CCCCC[N@@H+](Cc1ccc(F)cc1C(=O)[O-])C(C)C ZINC000071264981 1128586458 /nfs/dbraw/zinc/58/64/58/1128586458.db2.gz SXJISDTWSYZYIS-UHFFFAOYSA-N 0 1 281.371 3.925 20 0 CHADMN O=C(CCc1cccs1)Nc1cc(Cl)c(O)cc1F ZINC000568547620 1128587151 /nfs/dbraw/zinc/58/71/51/1128587151.db2.gz WXMYTXBBOPLOJG-UHFFFAOYSA-N 0 1 299.754 3.818 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000568615653 1128588437 /nfs/dbraw/zinc/58/84/37/1128588437.db2.gz XYYGKDLLEINQOB-UHFFFAOYSA-N 0 1 274.408 3.724 20 0 CHADMN [O-]c1cccnc1C[N@H+]1CCCC2(CCCCC2)CC1 ZINC000568615653 1128588439 /nfs/dbraw/zinc/58/84/39/1128588439.db2.gz XYYGKDLLEINQOB-UHFFFAOYSA-N 0 1 274.408 3.724 20 0 CHADMN CC(C)N(Cc1cccc(O)c1Br)CC1CC1 ZINC000568601304 1128588561 /nfs/dbraw/zinc/58/85/61/1128588561.db2.gz JSPGFMDPDAKCGJ-UHFFFAOYSA-N 0 1 298.224 3.775 20 0 CHADMN COC(C)(C)CCN1CCc2sc(Cl)cc2C1 ZINC000568757497 1128591222 /nfs/dbraw/zinc/59/12/22/1128591222.db2.gz FEKBFWFMNOMSEI-UHFFFAOYSA-N 0 1 273.829 3.575 20 0 CHADMN CCn1ccc(CN[C@H](CC2CC2)c2ccccc2)n1 ZINC000568843562 1128592983 /nfs/dbraw/zinc/59/29/83/1128592983.db2.gz ZORUPTYLRDOCRE-QGZVFWFLSA-N 0 1 269.392 3.534 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@H](C)c1ccccc1OC(C)C ZINC000568881410 1128594110 /nfs/dbraw/zinc/59/41/10/1128594110.db2.gz QNJCYKZNQNALAJ-CABCVRRESA-N 0 1 299.418 3.984 20 0 CHADMN CC(C)C[C@@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)on1 ZINC000569037424 1128597123 /nfs/dbraw/zinc/59/71/23/1128597123.db2.gz NEFNNBLCEWHOLA-AWEZNQCLSA-N 0 1 264.413 3.983 20 0 CHADMN CC(C)C[C@@H]1CCCN1Cc1cc(C(C)(C)C)on1 ZINC000569037424 1128597126 /nfs/dbraw/zinc/59/71/26/1128597126.db2.gz NEFNNBLCEWHOLA-AWEZNQCLSA-N 0 1 264.413 3.983 20 0 CHADMN CCc1ccc(C2=CCN(Cc3c(C)cnn3C)CC2)cc1 ZINC000569326940 1128604359 /nfs/dbraw/zinc/60/43/59/1128604359.db2.gz CMBGYFIAZGFHFX-UHFFFAOYSA-N 0 1 295.430 3.580 20 0 CHADMN CC(C)CC[C@H](O)CN1CCc2cccc(F)c2[C@H]1C ZINC000569660672 1128606882 /nfs/dbraw/zinc/60/68/82/1128606882.db2.gz WVDUVPVVTSWRMK-HIFRSBDPSA-N 0 1 279.399 3.542 20 0 CHADMN C[C@H](N[C@@H]1C=CCCCCC1)c1c(F)cncc1F ZINC000569712292 1128607544 /nfs/dbraw/zinc/60/75/44/1128607544.db2.gz BZPVFSJXOSUOHW-NWDGAFQWSA-N 0 1 266.335 3.899 20 0 CHADMN CCN(C(=O)c1[nH]nc2ccccc21)[C@H]1CCCC[C@@H]1C ZINC000170773917 1128616467 /nfs/dbraw/zinc/61/64/67/1128616467.db2.gz KFGONDKOMMPJMK-WFASDCNBSA-N 0 1 285.391 3.604 20 0 CHADMN CCC1(CC)CCC[N@H+]([C@H](CC(C)C)C(=O)[O-])CC1 ZINC000569856229 1128610748 /nfs/dbraw/zinc/61/07/48/1128610748.db2.gz HEJPFJBJKIWUJI-CQSZACIVSA-N 0 1 269.429 3.778 20 0 CHADMN Cc1cnccc1CN(Cc1ccccc1F)C(C)C ZINC000570246055 1128619287 /nfs/dbraw/zinc/61/92/87/1128619287.db2.gz SUHNEJVVKIKKTN-UHFFFAOYSA-N 0 1 272.367 3.940 20 0 CHADMN C[N@H+](Cc1ncccc1[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC000556782378 1128622317 /nfs/dbraw/zinc/62/23/17/1128622317.db2.gz SDYLDKVAKLBULT-RDJZCZTQSA-N 0 1 282.387 3.555 20 0 CHADMN C[N@@H+](Cc1ncccc1[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC000556782378 1128622320 /nfs/dbraw/zinc/62/23/20/1128622320.db2.gz SDYLDKVAKLBULT-RDJZCZTQSA-N 0 1 282.387 3.555 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cnn(C)c1C ZINC000556796576 1128624714 /nfs/dbraw/zinc/62/47/14/1128624714.db2.gz RYHKITOCAQSJLG-INIZCTEOSA-N 0 1 291.826 3.965 20 0 CHADMN CCN(Cc1cccs1)Cc1ccc2c(n1)CCC2 ZINC000570495210 1128624870 /nfs/dbraw/zinc/62/48/70/1128624870.db2.gz BLXJXXNFNREMJP-UHFFFAOYSA-N 0 1 272.417 3.654 20 0 CHADMN COC(=O)c1cccc(Cl)c1CN(CC1CC1)C(C)C ZINC000556811930 1128626538 /nfs/dbraw/zinc/62/65/38/1128626538.db2.gz FIGBDTVAMHKYQL-UHFFFAOYSA-N 0 1 295.810 3.747 20 0 CHADMN Cc1ccc2nc(SCCC(=O)OC(C)(C)C)[nH]c2c1 ZINC000131571150 1128628449 /nfs/dbraw/zinc/62/84/49/1128628449.db2.gz KSJLZCYUVUYTAV-UHFFFAOYSA-N 0 1 292.404 3.695 20 0 CHADMN Cc1nc2cc(N[C@@H](C)Cc3ccc(O)cc3)ccc2n1C ZINC000556833794 1128628486 /nfs/dbraw/zinc/62/84/86/1128628486.db2.gz CYNBQCCCFUPGHI-LBPRGKRZSA-N 0 1 295.386 3.630 20 0 CHADMN Cc1cc(C)cc(C[C@@H](C)N[C@H](C)c2ncco2)c1 ZINC000925472344 1128631393 /nfs/dbraw/zinc/63/13/93/1128631393.db2.gz SAJNMLCFPUOQGG-ZIAGYGMSSA-N 0 1 258.365 3.573 20 0 CHADMN C[C@H]1c2c(F)cccc2CCN1Cc1cccc2c[nH]nc21 ZINC000570992582 1128636242 /nfs/dbraw/zinc/63/62/42/1128636242.db2.gz OTYCCNFMZPZREH-LBPRGKRZSA-N 0 1 295.361 3.821 20 0 CHADMN CC(C)[C@H]1CC[C@H]1NCc1c(F)cc(F)c(F)c1F ZINC000556876779 1128632210 /nfs/dbraw/zinc/63/22/10/1128632210.db2.gz QXEPTUOZTHMFGP-PRHODGIISA-N 0 1 275.289 3.767 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(C)ccn2)c(C)c1 ZINC000556884451 1128633762 /nfs/dbraw/zinc/63/37/62/1128633762.db2.gz DDDWHHJKRIHQOS-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN Fc1ccc([C@H]2CSCC[N@H+]2[C@H]2CCCSC2)cc1 ZINC001257677382 1128634633 /nfs/dbraw/zinc/63/46/33/1128634633.db2.gz XVSGFCHPTYQOIO-LSDHHAIUSA-N 0 1 297.464 3.811 20 0 CHADMN Cc1cccc(NC(=O)NCc2nc3cccc(C)c3[nH]2)c1 ZINC000131885055 1128639287 /nfs/dbraw/zinc/63/92/87/1128639287.db2.gz OUQGACSFQBHAEA-UHFFFAOYSA-N 0 1 294.358 3.501 20 0 CHADMN CCc1ccc([C@H]2CCC[N@H+](Cc3ncccc3[O-])C2)cc1 ZINC000572505931 1128645492 /nfs/dbraw/zinc/64/54/92/1128645492.db2.gz KVOVMVJURMVANQ-KRWDZBQOSA-N 0 1 296.414 3.729 20 0 CHADMN CCc1ccc([C@H]2CCC[N@@H+](Cc3ncccc3[O-])C2)cc1 ZINC000572505931 1128645493 /nfs/dbraw/zinc/64/54/93/1128645493.db2.gz KVOVMVJURMVANQ-KRWDZBQOSA-N 0 1 296.414 3.729 20 0 CHADMN CC1(C)CN(Cc2ccc(F)c(F)c2)[C@@H]1C1CC1 ZINC000572351961 1128644587 /nfs/dbraw/zinc/64/45/87/1128644587.db2.gz LTECPMMIVGCBOJ-CQSZACIVSA-N 0 1 251.320 3.585 20 0 CHADMN CC(C)c1nc(CNCc2ccc(F)cc2)c2ccccn21 ZINC000572688752 1128646872 /nfs/dbraw/zinc/64/68/72/1128646872.db2.gz FCSIWCYNYVGRPQ-UHFFFAOYSA-N 0 1 297.377 3.887 20 0 CHADMN Cc1ccc(CN2C[C@@H](C)[C@@H]2C)c(Br)c1 ZINC000556944492 1128648738 /nfs/dbraw/zinc/64/87/38/1128648738.db2.gz HUCKDENXQGGCAV-MNOVXSKESA-N 0 1 268.198 3.598 20 0 CHADMN ClC1(Cl)C[C@@H]1C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000763444352 1128649004 /nfs/dbraw/zinc/64/90/04/1128649004.db2.gz JLORLPTXIXLDSG-GFCCVEGCSA-N 0 1 292.250 3.605 20 0 CHADMN ClC1(Cl)C[C@@H]1CN1CCOC2(C1)CCCCCC2 ZINC000763444352 1128649005 /nfs/dbraw/zinc/64/90/05/1128649005.db2.gz JLORLPTXIXLDSG-GFCCVEGCSA-N 0 1 292.250 3.605 20 0 CHADMN Cc1ccc(CN2C[C@@H](C)[C@H]2C)c(Br)c1 ZINC000556944491 1128649050 /nfs/dbraw/zinc/64/90/50/1128649050.db2.gz HUCKDENXQGGCAV-GHMZBOCLSA-N 0 1 268.198 3.598 20 0 CHADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](C)c2ccccc21 ZINC000572983706 1128650144 /nfs/dbraw/zinc/65/01/44/1128650144.db2.gz ZBXBKNAGYDKGSP-UONOGXRCSA-N 0 1 297.402 3.519 20 0 CHADMN C[C@@H](CCc1ccccc1)CN1CCOC[C@@H]1CC(F)F ZINC000573045358 1128650868 /nfs/dbraw/zinc/65/08/68/1128650868.db2.gz LJESUUNORLIADF-HOCLYGCPSA-N 0 1 297.389 3.611 20 0 CHADMN CC[C@H](C)c1cccc(NC(=O)c2ccc(CN)o2)c1 ZINC000638469212 1128651841 /nfs/dbraw/zinc/65/18/41/1128651841.db2.gz UNMHPPOVHHBFQC-NSHDSACASA-N 0 1 272.348 3.504 20 0 CHADMN CC1(C)CCCC[C@H]1NCc1ncc(C(F)(F)F)cn1 ZINC000573292379 1128653150 /nfs/dbraw/zinc/65/31/50/1128653150.db2.gz CNPCPSBLYHGSIM-LLVKDONJSA-N 0 1 287.329 3.554 20 0 CHADMN Cc1oc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)cc1C(=O)[O-] ZINC000573452502 1128654584 /nfs/dbraw/zinc/65/45/84/1128654584.db2.gz SFOXUORQMNCVLA-MLGOLLRUSA-N 0 1 299.370 3.664 20 0 CHADMN C[C@H](CC(=O)[O-])[N@@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC000573459529 1128654679 /nfs/dbraw/zinc/65/46/79/1128654679.db2.gz ILXFWXZPLZQVSU-IYXRBSQSSA-N 0 1 269.429 3.634 20 0 CHADMN CC(C)[C@@H]1CN(C/C=C\c2ccc(F)cc2F)CCCO1 ZINC000556980404 1128655597 /nfs/dbraw/zinc/65/55/97/1128655597.db2.gz HNDMJLABNPBFDF-IVZVJUQRSA-N 0 1 295.373 3.725 20 0 CHADMN c1cncc(CN(C[C@H]2CCCC3(CCC3)O2)C2CC2)c1 ZINC000930111950 1128658696 /nfs/dbraw/zinc/65/86/96/1128658696.db2.gz JCGIWWWGKUBLLX-QGZVFWFLSA-N 0 1 286.419 3.538 20 0 CHADMN CCOc1cccc(CNC(C)(C)c2ccc(F)cc2)n1 ZINC000157642268 1128658911 /nfs/dbraw/zinc/65/89/11/1128658911.db2.gz VBIZENILYPVKHO-UHFFFAOYSA-N 0 1 288.366 3.644 20 0 CHADMN COc1cc([C@@H](C)N[C@@H]2CCCOc3ccccc32)ccn1 ZINC000574926877 1128665074 /nfs/dbraw/zinc/66/50/74/1128665074.db2.gz PROOTAQTCAYKIS-CZUORRHYSA-N 0 1 298.386 3.655 20 0 CHADMN COc1cc([C@H](C)N[C@@H]2CCCOc3ccccc32)ccn1 ZINC000574926878 1128665173 /nfs/dbraw/zinc/66/51/73/1128665173.db2.gz PROOTAQTCAYKIS-XJKSGUPXSA-N 0 1 298.386 3.655 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CC/C=C\c1ccccc1 ZINC000575188423 1128665785 /nfs/dbraw/zinc/66/57/85/1128665785.db2.gz XXJBMQKSSSGFGS-UBAGTECSSA-N 0 1 275.392 3.521 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000574165294 1128662098 /nfs/dbraw/zinc/66/20/98/1128662098.db2.gz TUQBJKGOGJUGBL-WMLDXEAASA-N 0 1 289.419 3.828 20 0 CHADMN COc1cccc(F)c1CN(C)CCc1ccc(C)cc1 ZINC001138384928 1128663472 /nfs/dbraw/zinc/66/34/72/1128663472.db2.gz AEWSKAQWDWMRRM-UHFFFAOYSA-N 0 1 287.378 3.817 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000574922278 1128664771 /nfs/dbraw/zinc/66/47/71/1128664771.db2.gz MIROHTJXKQFJDD-DJIMGWMZSA-N 0 1 289.419 3.611 20 0 CHADMN Cc1cc(C)c([C@H](C)OC(=O)c2[nH]nc3c2CCC3)c(C)c1 ZINC000920160592 1128668551 /nfs/dbraw/zinc/66/85/51/1128668551.db2.gz ITGNIYKNADDKOX-ZDUSSCGKSA-N 0 1 298.386 3.742 20 0 CHADMN CCC/C(C)=C/C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000920284983 1128676477 /nfs/dbraw/zinc/67/64/77/1128676477.db2.gz JHEHBFJANOFZSV-CSKARUKUSA-N 0 1 257.337 3.556 20 0 CHADMN CSCc1cccc(-c2cccc([C@@H]3COCCN3)c2)c1 ZINC000600779261 1128681456 /nfs/dbraw/zinc/68/14/56/1128681456.db2.gz SLLKRMQTUGYFGC-SFHVURJKSA-N 0 1 299.439 3.878 20 0 CHADMN CCCCC[C@@](C)(CC)c1nc(C2(N)CCC2)no1 ZINC000842620568 1128690579 /nfs/dbraw/zinc/69/05/79/1128690579.db2.gz ORHHIVPTAUGSSH-CQSZACIVSA-N 0 1 265.401 3.656 20 0 CHADMN Cc1cccc2c1CC[C@@H]2NCc1cc(C(F)(F)F)n[nH]1 ZINC000578014833 1128703833 /nfs/dbraw/zinc/70/38/33/1128703833.db2.gz CPYISTKGVQGLGH-ZDUSSCGKSA-N 0 1 295.308 3.514 20 0 CHADMN CC(C)C[C@H]1CCCN(Cc2ccc(Cl)cn2)C1 ZINC000578037815 1128704047 /nfs/dbraw/zinc/70/40/47/1128704047.db2.gz XNWFYOURECOWIU-CYBMUJFWSA-N 0 1 266.816 3.993 20 0 CHADMN FC1(c2nc(-c3ccc4[nH]cnc4c3)no2)CCCCC1 ZINC000350429152 1128708064 /nfs/dbraw/zinc/70/80/64/1128708064.db2.gz XQQWBOAKLXWSEK-UHFFFAOYSA-N 0 1 286.310 3.742 20 0 CHADMN Cc1ccc([C@H](C)NCc2cn3ccsc3n2)cc1 ZINC000134440953 1128708094 /nfs/dbraw/zinc/70/80/94/1128708094.db2.gz KBNVOBNSYMHSAX-LBPRGKRZSA-N 0 1 271.389 3.555 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000578143909 1128709303 /nfs/dbraw/zinc/70/93/03/1128709303.db2.gz BKKDFCVMKJQMOY-SJORKVTESA-N 0 1 287.403 3.542 20 0 CHADMN CCCCC[C@@H](C)NC(=O)c1c(C)n[nH]c1C(C)C ZINC000159570828 1128710273 /nfs/dbraw/zinc/71/02/73/1128710273.db2.gz JBHKSBGGGNYPII-LLVKDONJSA-N 0 1 265.401 3.540 20 0 CHADMN C[C@H](NCc1cccc2c1OCC2)c1ccc(F)c(F)c1 ZINC000921471424 1128710369 /nfs/dbraw/zinc/71/03/69/1128710369.db2.gz DRIYCKXBIFTPCI-NSHDSACASA-N 0 1 289.325 3.751 20 0 CHADMN CCN(Cc1ccncc1)Cc1cccc(SC)c1 ZINC000660161238 1128714432 /nfs/dbraw/zinc/71/44/32/1128714432.db2.gz DYIFZJDBNKQHCQ-UHFFFAOYSA-N 0 1 272.417 3.826 20 0 CHADMN CN(Cc1nnc(C2CC2)o1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000578506829 1128719202 /nfs/dbraw/zinc/71/92/02/1128719202.db2.gz MBACDYUJVSEXCM-QWHCGFSZSA-N 0 1 277.412 3.594 20 0 CHADMN Cc1cc(C)cc([C@@H]2CC[N@@H+](Cc3occc3C(=O)[O-])C2)c1 ZINC000578874673 1128731809 /nfs/dbraw/zinc/73/18/09/1128731809.db2.gz CLUPOLJSECTRAI-CQSZACIVSA-N 0 1 299.370 3.584 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000578899621 1128732063 /nfs/dbraw/zinc/73/20/63/1128732063.db2.gz XTUCENYQGUVSIR-DVOMOZLQSA-N 0 1 273.376 3.538 20 0 CHADMN CCCN(C)CC(=O)N(CC(C)C)c1cccc(Cl)c1 ZINC000622666439 1117752182 /nfs/dbraw/zinc/75/21/82/1117752182.db2.gz ZFKYGPGAQROVQJ-UHFFFAOYSA-N 0 1 296.842 3.671 20 0 CHADMN CC[C@H]1CN(CC)CCN1C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000622651969 1117753018 /nfs/dbraw/zinc/75/30/18/1117753018.db2.gz YFLGDXIGLGRARD-HOTGVXAUSA-N 0 1 294.483 3.536 20 0 CHADMN Oc1cccc(CN[C@H]2CCSc3ccccc32)c1 ZINC000034992446 1117757578 /nfs/dbraw/zinc/75/75/78/1117757578.db2.gz MHKUWNJQTHYNFO-HNNXBMFYSA-N 0 1 271.385 3.719 20 0 CHADMN COc1ccc(OC)c([C@H](C)NCc2ccsc2)c1 ZINC000035012347 1117759360 /nfs/dbraw/zinc/75/93/60/1117759360.db2.gz IWVBBSANSUKLPL-NSHDSACASA-N 0 1 277.389 3.616 20 0 CHADMN CCc1ccc([C@@H](C)NCc2c(C)noc2C)cc1 ZINC000035009843 1117759609 /nfs/dbraw/zinc/75/96/09/1117759609.db2.gz IOTLVAZMLUURBC-LLVKDONJSA-N 0 1 258.365 3.705 20 0 CHADMN CCc1oc2ccccc2c1CNCc1ccco1 ZINC000035017733 1117761532 /nfs/dbraw/zinc/76/15/32/1117761532.db2.gz MQOUWJVDPCNTJT-UHFFFAOYSA-N 0 1 255.317 3.878 20 0 CHADMN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1ccncc1Cl ZINC000351879358 1117761896 /nfs/dbraw/zinc/76/18/96/1117761896.db2.gz JRKRVQAHOSHAGQ-GJZGRUSLSA-N 0 1 296.842 3.761 20 0 CHADMN Fc1cccc2c1SCC[C@H]2NCc1ccncc1 ZINC000035047577 1117764768 /nfs/dbraw/zinc/76/47/68/1117764768.db2.gz NTMAZQBZMJLVBQ-CQSZACIVSA-N 0 1 274.364 3.547 20 0 CHADMN C[C@H]1CSCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000683101686 1117767229 /nfs/dbraw/zinc/76/72/29/1117767229.db2.gz JVQDPXSLFHLHEG-SNVBAGLBSA-N 0 1 273.804 3.664 20 0 CHADMN C[C@H]1CSCCN(Cc2cccc(F)c2Cl)C1 ZINC000683101686 1117767232 /nfs/dbraw/zinc/76/72/32/1117767232.db2.gz JVQDPXSLFHLHEG-SNVBAGLBSA-N 0 1 273.804 3.664 20 0 CHADMN COc1ccsc1[C@H](C)NCc1ccc(F)c(F)c1 ZINC000274602609 1117767357 /nfs/dbraw/zinc/76/73/57/1117767357.db2.gz QNWRCTHFRBPCAV-VIFPVBQESA-N 0 1 283.343 3.886 20 0 CHADMN CC(C)c1cc(CN[C@@H]2CS[C@H](C(C)(C)C)C2)on1 ZINC000683108296 1117769527 /nfs/dbraw/zinc/76/95/27/1117769527.db2.gz BKFUFJPMAJEURE-FZMZJTMJSA-N 0 1 282.453 3.808 20 0 CHADMN CC(C)[C@@H]1C[C@H](N[C@@H]2COc3cc(F)cc(F)c32)CS1 ZINC000683109891 1117770210 /nfs/dbraw/zinc/77/02/10/1117770210.db2.gz HGEXEHQYPWSTFY-SUHUHFCYSA-N 0 1 299.386 3.518 20 0 CHADMN Cc1ccc(O)cc1CN(C)Cc1cccc(Cl)c1 ZINC001238099915 1117779997 /nfs/dbraw/zinc/77/99/97/1117779997.db2.gz UKSBIBYIMGOZKQ-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1)c1cccs1 ZINC000035133071 1117781382 /nfs/dbraw/zinc/78/13/82/1117781382.db2.gz BCMULFUBPUZUMV-JTQLQIEISA-N 0 1 294.807 3.691 20 0 CHADMN CC(C)[C@H]1CCN([C@@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000671241877 1117783713 /nfs/dbraw/zinc/78/37/13/1117783713.db2.gz MTHBDLJXHRINGP-ZFWWWQNUSA-N 0 1 285.391 3.776 20 0 CHADMN OCC[C@H]1CCCCCN1Cc1ccc(Cl)cc1F ZINC000671248437 1117785594 /nfs/dbraw/zinc/78/55/94/1117785594.db2.gz SHDGLQUAJOXFCW-CQSZACIVSA-N 0 1 285.790 3.606 20 0 CHADMN Cc1nc2ccc(CNCc3cccc(C)n3)cc2s1 ZINC000683144745 1117797065 /nfs/dbraw/zinc/79/70/65/1117797065.db2.gz VBJVVNAGDGEDJM-UHFFFAOYSA-N 0 1 283.400 3.598 20 0 CHADMN Fc1cccc(CN2CCC(Oc3ccccc3)CC2)c1 ZINC000064793620 1117799796 /nfs/dbraw/zinc/79/97/96/1117799796.db2.gz DRHPFSMLMOLAGI-UHFFFAOYSA-N 0 1 285.362 3.869 20 0 CHADMN O=[N+]([O-])c1ccc(CNCc2cccc(F)c2)cc1Cl ZINC000185269380 1117801990 /nfs/dbraw/zinc/80/19/90/1117801990.db2.gz UNJJDROYUOBNIO-UHFFFAOYSA-N 0 1 294.713 3.677 20 0 CHADMN Fc1cc(F)cc(CNCc2ccc3ccccc3n2)c1 ZINC000339490882 1117806863 /nfs/dbraw/zinc/80/68/63/1117806863.db2.gz ZUYIILXTHAJZJE-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN C[C@@H](N[C@H](C)c1ccnc(Cl)c1)c1ccns1 ZINC000858575934 1117809604 /nfs/dbraw/zinc/80/96/04/1117809604.db2.gz GDOPMPDRJGZXEW-RKDXNWHRSA-N 0 1 267.785 3.603 20 0 CHADMN Fc1ccc(-c2noc(CN3CCCCCCC3)n2)cc1 ZINC000072801631 1117820677 /nfs/dbraw/zinc/82/06/77/1117820677.db2.gz KHNACOBYTLDDMK-UHFFFAOYSA-N 0 1 289.354 3.642 20 0 CHADMN CCc1cc(NC(=O)[C@@H]2C[C@@H](C)Cc3cn[nH]c32)ccc1C ZINC000623208604 1117823703 /nfs/dbraw/zinc/82/37/03/1117823703.db2.gz WDPRBQULKFOSBK-MEDUHNTESA-N 0 1 297.402 3.585 20 0 CHADMN Oc1cc(F)c(-c2ncncc2-c2ccccc2)cc1F ZINC001206767972 1117825477 /nfs/dbraw/zinc/82/54/77/1117825477.db2.gz MUUKVHGTMDMYHE-UHFFFAOYSA-N 0 1 284.265 3.794 20 0 CHADMN c1[nH]nc2c1CN([C@H]1CCCC[C@@H](c3ccccc3)C1)CC2 ZINC000623238915 1117825488 /nfs/dbraw/zinc/82/54/88/1117825488.db2.gz XXMGVJHHHDYSTE-AEFFLSMTSA-N 0 1 295.430 3.884 20 0 CHADMN Cc1ncc(CN[C@H]2CSCc3ccccc32)s1 ZINC000040997828 1117834979 /nfs/dbraw/zinc/83/49/79/1117834979.db2.gz HTSDCGJQFFHSDZ-AWEZNQCLSA-N 0 1 276.430 3.529 20 0 CHADMN CC[C@@H]1CC[N@H+]1Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000430192844 1117836504 /nfs/dbraw/zinc/83/65/04/1117836504.db2.gz DJMKJBCVLQIGFE-OAHLLOKOSA-N 0 1 299.370 3.718 20 0 CHADMN Cc1cccc(C)c1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000510079967 1117840559 /nfs/dbraw/zinc/84/05/59/1117840559.db2.gz VNVFSHYPSCSHDO-QGZVFWFLSA-N 0 1 269.392 3.754 20 0 CHADMN Cc1cc(Cl)c(Cl)cc1CN1C[C@@H]2C[C@@H]2C1 ZINC001238263879 1117840896 /nfs/dbraw/zinc/84/08/96/1117840896.db2.gz PIHKXYYCQUCHRI-PHIMTYICSA-N 0 1 256.176 3.754 20 0 CHADMN CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000072918630 1117843215 /nfs/dbraw/zinc/84/32/15/1117843215.db2.gz QGYCMAQXBCWGGD-OCCSQVGLSA-N 0 1 270.376 3.561 20 0 CHADMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000072918630 1117843221 /nfs/dbraw/zinc/84/32/21/1117843221.db2.gz QGYCMAQXBCWGGD-OCCSQVGLSA-N 0 1 270.376 3.561 20 0 CHADMN Cc1ccc(F)c(CNc2cc3c(cn2)CCC3)c1 ZINC000339555375 1117851483 /nfs/dbraw/zinc/85/14/83/1117851483.db2.gz OIKSJHXVPLWSJX-UHFFFAOYSA-N 0 1 256.324 3.630 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CNc1cc2c(cn1)CCC2 ZINC000339555272 1117852201 /nfs/dbraw/zinc/85/22/01/1117852201.db2.gz QAJSLNPTTRGVDG-UHFFFAOYSA-N 0 1 298.434 3.751 20 0 CHADMN Clc1sccc1CNc1cc2c(cn1)CCC2 ZINC000339556106 1117853626 /nfs/dbraw/zinc/85/36/26/1117853626.db2.gz RRFPXHOWJFJUBM-UHFFFAOYSA-N 0 1 264.781 3.897 20 0 CHADMN CSc1ccc(CNc2cc3c(cn2)CCC3)s1 ZINC000339556203 1117853917 /nfs/dbraw/zinc/85/39/17/1117853917.db2.gz RHTDHJZYYCADBD-UHFFFAOYSA-N 0 1 276.430 3.966 20 0 CHADMN CSC(C)(C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185612717 1117856553 /nfs/dbraw/zinc/85/65/53/1117856553.db2.gz VCZDMZREYQSLRO-VIFPVBQESA-N 0 1 273.829 3.838 20 0 CHADMN CC(C)c1cc(C(=O)N2CCC[C@H]2c2ccccc2)n[nH]1 ZINC000045065127 1117858931 /nfs/dbraw/zinc/85/89/31/1117858931.db2.gz ZFJDOJWODSAPOD-INIZCTEOSA-N 0 1 283.375 3.510 20 0 CHADMN c1cn(Cc2ccccc2)c(CN[C@@H]2CC23CCCCC3)n1 ZINC000623568218 1117873698 /nfs/dbraw/zinc/87/36/98/1117873698.db2.gz UHHZPKMTGLMNRU-QGZVFWFLSA-N 0 1 295.430 3.744 20 0 CHADMN CC(C)c1nc2[nH]ccc2c(-c2cc(F)c(O)cc2F)n1 ZINC001206775764 1117879869 /nfs/dbraw/zinc/87/98/69/1117879869.db2.gz KCHWGYSVIDTAMT-UHFFFAOYSA-N 0 1 289.285 3.684 20 0 CHADMN COc1ccsc1CN[C@H](c1ccccn1)C1CCC1 ZINC000623639197 1117879937 /nfs/dbraw/zinc/87/99/37/1117879937.db2.gz FAGZFRVVOFWBPW-INIZCTEOSA-N 0 1 288.416 3.783 20 0 CHADMN Cc1cccc(C[N@@H+](C)CCc2cccs2)c1F ZINC001137677128 1117886617 /nfs/dbraw/zinc/88/66/17/1117886617.db2.gz AOHQOZTWBZEXJK-UHFFFAOYSA-N 0 1 263.381 3.870 20 0 CHADMN C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cnccn1 ZINC000178292374 1117889693 /nfs/dbraw/zinc/88/96/93/1117889693.db2.gz SPLNECSCASBUQE-BDJLRTHQSA-N 0 1 287.794 3.932 20 0 CHADMN F[C@@H]1CCC[C@H]1NCc1cnc(-c2ccsc2)s1 ZINC000339586896 1117891974 /nfs/dbraw/zinc/89/19/74/1117891974.db2.gz NGSKNRSQOVKLPS-VXGBXAGGSA-N 0 1 282.409 3.852 20 0 CHADMN C[C@@H](NCc1ccc(O)c(F)c1)c1ccc2ccccc2n1 ZINC000178526261 1117893647 /nfs/dbraw/zinc/89/36/47/1117893647.db2.gz GBCWDGKKBRLVHM-GFCCVEGCSA-N 0 1 296.345 3.930 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@@H](C)c2cncs2)cc1 ZINC000119375299 1117893985 /nfs/dbraw/zinc/89/39/85/1117893985.db2.gz SJLOLSXOSJWIDQ-NEPJUHHUSA-N 0 1 276.405 3.954 20 0 CHADMN CN(CCc1c(F)cccc1F)Cc1ccccc1F ZINC001167075816 1117900286 /nfs/dbraw/zinc/90/02/86/1117900286.db2.gz COWTVQWZGYDULX-UHFFFAOYSA-N 0 1 279.305 3.778 20 0 CHADMN COC(=O)c1ccccc1CN(C)[C@@H](C)c1ccccc1 ZINC000349577444 1117900863 /nfs/dbraw/zinc/90/08/63/1117900863.db2.gz KVXLLZDYFYZNLJ-AWEZNQCLSA-N 0 1 283.371 3.666 20 0 CHADMN CC[C@H](C)CCCCC(=O)NCc1ccc2cncn2c1 ZINC000655153515 1117902764 /nfs/dbraw/zinc/90/27/64/1117902764.db2.gz GAEOVODYZHVJBV-AWEZNQCLSA-N 0 1 287.407 3.557 20 0 CHADMN Cc1cccc([C@@H](NCc2cc3n(n2)CCC3)C(C)C)c1 ZINC000623731571 1117902858 /nfs/dbraw/zinc/90/28/58/1117902858.db2.gz CGNZFAJXMUXAAJ-SFHVURJKSA-N 0 1 283.419 3.625 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000579248575 1128742825 /nfs/dbraw/zinc/74/28/25/1128742825.db2.gz OIYNSSUUAAZAOD-IRXDYDNUSA-N 0 1 289.419 3.585 20 0 CHADMN Cc1ccc2nc(-c3cnn(C(C)C)c3)[nH]c2c1C ZINC000179499993 1117906572 /nfs/dbraw/zinc/90/65/72/1117906572.db2.gz WLFDYICZEWRNMS-UHFFFAOYSA-N 0 1 254.337 3.624 20 0 CHADMN C[C@@H](c1ccco1)[N@H+](C)Cc1cccc(C(=O)[O-])c1Cl ZINC000579842800 1117907047 /nfs/dbraw/zinc/90/70/47/1117907047.db2.gz PUUSHWIFQBADJD-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1Cl ZINC000579842800 1117907049 /nfs/dbraw/zinc/90/70/49/1117907049.db2.gz PUUSHWIFQBADJD-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN C[C@@H](c1ccccn1)N(C)C/C=C\c1ccccc1 ZINC000350387496 1117908799 /nfs/dbraw/zinc/90/87/99/1117908799.db2.gz DVUWPSDLHXNVRW-QIENPNARSA-N 0 1 252.361 3.788 20 0 CHADMN COc1cccc(CNC(C)(C)c2cccc(Cl)c2)n1 ZINC000179599114 1117908952 /nfs/dbraw/zinc/90/89/52/1117908952.db2.gz MHWGNQVOVFRILE-UHFFFAOYSA-N 0 1 290.794 3.769 20 0 CHADMN C[C@@H]1CCC[C@H]1CC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000615283463 1128743370 /nfs/dbraw/zinc/74/33/70/1128743370.db2.gz VTPJXCGHAFUATQ-YPMHNXCESA-N 0 1 299.374 3.547 20 0 CHADMN CO[C@H]1C[C@@H](N(C)Cc2ccc(Cl)cc2Cl)C1 ZINC000510115196 1117910998 /nfs/dbraw/zinc/91/09/98/1117910998.db2.gz XIIXFFFSGFLEAV-TXEJJXNPSA-N 0 1 274.191 3.603 20 0 CHADMN Clc1cnccc1CN[C@@H](c1ccccc1)C1CC1 ZINC000179700571 1117911302 /nfs/dbraw/zinc/91/13/02/1117911302.db2.gz AZDUVVIVUMEYII-INIZCTEOSA-N 0 1 272.779 3.976 20 0 CHADMN CN(CCC1CCCC1)Cc1cnc(Cl)s1 ZINC001208690967 1117915044 /nfs/dbraw/zinc/91/50/44/1117915044.db2.gz ZHOSGWSJACLHAG-UHFFFAOYSA-N 0 1 258.818 3.809 20 0 CHADMN Cc1ccc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)o1 ZINC000179856985 1117915319 /nfs/dbraw/zinc/91/53/19/1117915319.db2.gz USAPIYBZTWMHBP-UHFFFAOYSA-N 0 1 291.257 3.654 20 0 CHADMN CC[C@H](NCc1cc2n(n1)CCC2)c1cc(C)ccc1C ZINC000623752683 1117918093 /nfs/dbraw/zinc/91/80/93/1117918093.db2.gz JISQLJBWUXVLKN-SFHVURJKSA-N 0 1 283.419 3.687 20 0 CHADMN Fc1cccc(CCCN2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000510118488 1117918456 /nfs/dbraw/zinc/91/84/56/1117918456.db2.gz HVYAAWUYLJTMIP-KRWDZBQOSA-N 0 1 287.382 3.709 20 0 CHADMN Clc1oc2ccccc2c1CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000623753710 1117919271 /nfs/dbraw/zinc/91/92/71/1117919271.db2.gz CNDGMVLMYSERMN-NHYWBVRUSA-N 0 1 291.778 3.743 20 0 CHADMN c1cc(Oc2ccccc2)oc1CN[C@H]1CO[C@H](C2CC2)C1 ZINC000623753936 1117920723 /nfs/dbraw/zinc/92/07/23/1117920723.db2.gz GKEVCIBLJUBQOF-PBHICJAKSA-N 0 1 299.370 3.729 20 0 CHADMN Cc1ccccc1-c1noc(C2(N)CCCCCC2)n1 ZINC000041033210 1117929128 /nfs/dbraw/zinc/92/91/28/1117929128.db2.gz LFKMXTQNISSXAI-UHFFFAOYSA-N 0 1 271.364 3.553 20 0 CHADMN Fc1ccccc1OCCN1CC[C@@H]1c1ccccc1 ZINC000471178624 1117929495 /nfs/dbraw/zinc/92/94/95/1117929495.db2.gz PDUYLRDRSDMNNX-MRXNPFEDSA-N 0 1 271.335 3.652 20 0 CHADMN C[C@@H](NCc1cn(C)nc1-c1ccccc1)c1ccoc1 ZINC000180419051 1117929802 /nfs/dbraw/zinc/92/98/02/1117929802.db2.gz DALHOHFNEPDONZ-CYBMUJFWSA-N 0 1 281.359 3.531 20 0 CHADMN CC[C@@H](CC(F)F)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000351206883 1117929830 /nfs/dbraw/zinc/92/98/30/1117929830.db2.gz JSHSLVQFDJGHBC-QMMMGPOBSA-N 0 1 292.289 3.762 20 0 CHADMN CC[C@H](CCC(=O)OC)CN1Cc2ccc(Cl)cc2C1 ZINC001208787106 1117935073 /nfs/dbraw/zinc/93/50/73/1117935073.db2.gz ZLEMTTYPBQONLQ-GFCCVEGCSA-N 0 1 295.810 3.635 20 0 CHADMN CC(C)CCOCCN(C)Cc1ccc(Cl)s1 ZINC000615340052 1128744871 /nfs/dbraw/zinc/74/48/71/1128744871.db2.gz PBOKNHSNQWXPFZ-UHFFFAOYSA-N 0 1 275.845 3.896 20 0 CHADMN COc1cc(CN[C@@H](c2ccc(C)cc2)C2CC2)sn1 ZINC000399116329 1117935983 /nfs/dbraw/zinc/93/59/83/1117935983.db2.gz MVUXLFAJDWWDLQ-INIZCTEOSA-N 0 1 288.416 3.701 20 0 CHADMN CC(C)(C)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000623795447 1117936558 /nfs/dbraw/zinc/93/65/58/1117936558.db2.gz CCFUHCBATHGJRF-UHFFFAOYSA-N 0 1 271.364 3.815 20 0 CHADMN Cc1ccsc1CN[C@H]1CCCc2scnc21 ZINC000623875090 1117947385 /nfs/dbraw/zinc/94/73/85/1117947385.db2.gz XUBHAMNWWFLAAV-JTQLQIEISA-N 0 1 264.419 3.680 20 0 CHADMN Cc1ccnc(CN2CCC[C@H](c3ccccc3)CC2)n1 ZINC000339666383 1117951443 /nfs/dbraw/zinc/95/14/43/1117951443.db2.gz XARAUYUEYUNCRB-KRWDZBQOSA-N 0 1 281.403 3.555 20 0 CHADMN COc1cccc(C2CCN(C/C=C\Cl)CC2)c1 ZINC000255003272 1117951623 /nfs/dbraw/zinc/95/16/23/1117951623.db2.gz AAILBWOTXUBKND-BAQGIRSFSA-N 0 1 265.784 3.627 20 0 CHADMN Cc1ccc(CN(C)Cc2ccccc2N2CCCC2)o1 ZINC000179618699 1117951950 /nfs/dbraw/zinc/95/19/50/1117951950.db2.gz QWWVCWMHCGRRJS-UHFFFAOYSA-N 0 1 284.403 3.820 20 0 CHADMN c1coc(-c2cc(CN3CC[C@@H](CC4CC4)C3)no2)c1 ZINC000339675664 1117952530 /nfs/dbraw/zinc/95/25/30/1117952530.db2.gz FWUGFIGZHDXCBB-ZDUSSCGKSA-N 0 1 272.348 3.557 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2ccccc2OC(F)F)C1 ZINC000430265464 1117957220 /nfs/dbraw/zinc/95/72/20/1117957220.db2.gz VFEYNVVHOSQXIV-LLVKDONJSA-N 0 1 267.319 3.686 20 0 CHADMN CC(C)[C@@]1(CO)CCCN(Cc2cccc(Cl)c2F)C1 ZINC000339702790 1117960915 /nfs/dbraw/zinc/96/09/15/1117960915.db2.gz VYXLWHRGVULQOR-INIZCTEOSA-N 0 1 299.817 3.710 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@@H](C)c1nc(C)cs1 ZINC000623960568 1117962281 /nfs/dbraw/zinc/96/22/81/1117962281.db2.gz AMBKQQXASDPNHY-DTWKUNHWSA-N 0 1 266.332 3.833 20 0 CHADMN CC/C=C(/C)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000255010135 1117971555 /nfs/dbraw/zinc/97/15/55/1117971555.db2.gz BLXARKDSMMWHJW-ORDXOSSNSA-N 0 1 297.402 3.891 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc3ccccc32)ncn1 ZINC000339754302 1117972096 /nfs/dbraw/zinc/97/20/96/1117972096.db2.gz QIEJGUGBQKDYAQ-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)N[C@H](C)c1ccnn1C ZINC000232683722 1117974137 /nfs/dbraw/zinc/97/41/37/1117974137.db2.gz SKMIMRODZHMVIU-UONOGXRCSA-N 0 1 287.407 3.619 20 0 CHADMN c1c2ccccc2oc1CN1CCOC[C@H]1CC1CCC1 ZINC000339780172 1117975807 /nfs/dbraw/zinc/97/58/07/1117975807.db2.gz TYFBLPATVKWBLO-MRXNPFEDSA-N 0 1 285.387 3.824 20 0 CHADMN CC1=C[C@H](C)CN([C@@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000430277887 1117987603 /nfs/dbraw/zinc/98/76/03/1117987603.db2.gz OQQZJQMGEMCFDY-AAEUAGOBSA-N 0 1 292.810 3.565 20 0 CHADMN Cc1c(Cl)ccc(CN2CC(C)(C)C[C@@]2(C)CO)c1F ZINC001238510996 1117989736 /nfs/dbraw/zinc/98/97/36/1117989736.db2.gz BOLLRULJRDOKCG-INIZCTEOSA-N 0 1 299.817 3.770 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@H](C)N1CC(C)=C[C@@H](C)C1 ZINC000430281039 1117990294 /nfs/dbraw/zinc/99/02/94/1117990294.db2.gz QZYWAUXBMOIUFR-WBMJQRKESA-N 0 1 286.419 3.528 20 0 CHADMN CC1=C[C@H](C)C[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000430283738 1117992328 /nfs/dbraw/zinc/99/23/28/1117992328.db2.gz JCODSBAKBDWUPO-LBPRGKRZSA-N 0 1 286.350 3.879 20 0 CHADMN CC1=C[C@H](C)CN(Cc2ncc(-c3ccccc3F)o2)C1 ZINC000430283738 1117992330 /nfs/dbraw/zinc/99/23/30/1117992330.db2.gz JCODSBAKBDWUPO-LBPRGKRZSA-N 0 1 286.350 3.879 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N2CC(C)=C[C@@H](C)C2)c(C)c1 ZINC000430283657 1117992635 /nfs/dbraw/zinc/99/26/35/1117992635.db2.gz IMSHHAAKBXWPAL-CZUORRHYSA-N 0 1 286.419 3.528 20 0 CHADMN CC1=C[C@@H](C)CN([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000430284285 1117993870 /nfs/dbraw/zinc/99/38/70/1117993870.db2.gz LJGCFTFYBPEGIL-ZYHUDNBSSA-N 0 1 251.320 3.924 20 0 CHADMN Cc1c(Cl)ccc(CN2CCC[C@@H](CF)C2)c1F ZINC001238518572 1117997573 /nfs/dbraw/zinc/99/75/73/1117997573.db2.gz UNDLKODVJPGKCK-NSHDSACASA-N 0 1 273.754 3.969 20 0 CHADMN CCN[C@H](C)c1nc(-c2ccc(SCC)cc2)no1 ZINC000300249060 1117997798 /nfs/dbraw/zinc/99/77/98/1117997798.db2.gz YFDZGJPRKYGVHG-SNVBAGLBSA-N 0 1 277.393 3.519 20 0 CHADMN COc1ccc(O)c(CN(C)Cc2ccccc2Cl)c1 ZINC000179568238 1128748879 /nfs/dbraw/zinc/74/88/79/1128748879.db2.gz CDJSWFMEYPRQGY-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN C[C@@H]1CC[N@@H+](CCc2ccc(C(F)(F)F)cc2)C[C@H]1F ZINC001209123823 1117999420 /nfs/dbraw/zinc/99/94/20/1117999420.db2.gz JLFYSSJNQBSNRN-BXUZGUMPSA-N 0 1 289.316 3.928 20 0 CHADMN C[C@@H]1CCN(CCc2ccc(C(F)(F)F)cc2)C[C@H]1F ZINC001209123823 1117999423 /nfs/dbraw/zinc/99/94/23/1117999423.db2.gz JLFYSSJNQBSNRN-BXUZGUMPSA-N 0 1 289.316 3.928 20 0 CHADMN Cc1ccnc(CN[C@@]2(c3ccccc3)CC2(C)C)c1 ZINC000662341496 1117999539 /nfs/dbraw/zinc/99/95/39/1117999539.db2.gz UAOATZYWQAWIGD-GOSISDBHSA-N 0 1 266.388 3.805 20 0 CHADMN Cc1ccoc1CN1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000295138451 1118005748 /nfs/dbraw/zinc/00/57/48/1118005748.db2.gz ZJONDKQACNCGBL-QWRGUYRKSA-N 0 1 261.287 3.751 20 0 CHADMN CCO[C@@H]1C[C@@H](NCc2ccn(C(C)C)n2)C1(CC)CC ZINC000181781319 1118007517 /nfs/dbraw/zinc/00/75/17/1118007517.db2.gz BLBBTBSPDGQHEF-HZPDHXFCSA-N 0 1 293.455 3.537 20 0 CHADMN CCCCO[C@@H]1C[C@@H](NCc2ncc(C)s2)C1(C)C ZINC000181825615 1118007602 /nfs/dbraw/zinc/00/76/02/1118007602.db2.gz LJDXXDGXSDBLMV-CHWSQXEVSA-N 0 1 282.453 3.525 20 0 CHADMN Cc1cncc(CN[C@@H]2CCSc3c(F)cccc32)c1 ZINC000181830879 1118008575 /nfs/dbraw/zinc/00/85/75/1118008575.db2.gz NWXGDYCKPKHMOL-OAHLLOKOSA-N 0 1 288.391 3.856 20 0 CHADMN COc1ccc([C@@H](C)[N@@H+](C)CCC(=O)c2ccccc2)cc1 ZINC000181935807 1118008994 /nfs/dbraw/zinc/00/89/94/1118008994.db2.gz MVXCHTOYXMUYCO-OAHLLOKOSA-N 0 1 297.398 3.961 20 0 CHADMN CC1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000045735097 1118011390 /nfs/dbraw/zinc/01/13/90/1118011390.db2.gz ACNZWMGKALLXRE-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN CC(C)c1ccc([C@@H](C)N(CCO)Cc2cccnc2)cc1 ZINC000182016735 1118011649 /nfs/dbraw/zinc/01/16/49/1118011649.db2.gz ANYUPQGBIBYRCS-MRXNPFEDSA-N 0 1 298.430 3.761 20 0 CHADMN CCCCCc1ccc(NC(=O)CN(C)C(C)C)cc1 ZINC000060161883 1118013888 /nfs/dbraw/zinc/01/38/88/1118013888.db2.gz LWYDQXFECMFWNJ-UHFFFAOYSA-N 0 1 276.424 3.698 20 0 CHADMN C[C@H](N[C@H]1CCCc2ccc(Cl)cc21)c1cnccn1 ZINC000624219934 1118016388 /nfs/dbraw/zinc/01/63/88/1118016388.db2.gz DRICEPTUTIBEDW-NHYWBVRUSA-N 0 1 287.794 3.858 20 0 CHADMN C[C@@H](NCCSc1ccc(Cl)cc1)c1nccn1C ZINC000182231016 1118016784 /nfs/dbraw/zinc/01/67/84/1118016784.db2.gz GGYKRPVRENGJPQ-LLVKDONJSA-N 0 1 295.839 3.516 20 0 CHADMN CC[C@H]1CO[C@@](C)(CCC(C)C)N1CCCCOC ZINC001209218841 1118017311 /nfs/dbraw/zinc/01/73/11/1118017311.db2.gz PZQXNYGJKAKSOY-HOTGVXAUSA-N 0 1 271.445 3.676 20 0 CHADMN Fc1ccc2c(c1Cl)[C@H](N[C@H]1CO[C@H](C3CC3)C1)CC2 ZINC000624224290 1118019364 /nfs/dbraw/zinc/01/93/64/1118019364.db2.gz RJDXITVFUPCNOQ-BNOWGMLFSA-N 0 1 295.785 3.624 20 0 CHADMN CC[C@@H](NCc1csc(CCC(C)C)n1)[C@H]1CCCO1 ZINC000182347208 1118020609 /nfs/dbraw/zinc/02/06/09/1118020609.db2.gz IYDRULAJCHSGPK-HUUCEWRRSA-N 0 1 296.480 3.779 20 0 CHADMN Cc1cc(C)c(CNCc2cnc3ccccc3c2)cn1 ZINC000396967412 1118031574 /nfs/dbraw/zinc/03/15/74/1118031574.db2.gz CQVACBUXEREHNM-UHFFFAOYSA-N 0 1 277.371 3.536 20 0 CHADMN Cc1ccc(-n2[nH]c(C3(C)CC3)cc2=O)c(Cl)c1 ZINC000634594185 1118032290 /nfs/dbraw/zinc/03/22/90/1118032290.db2.gz NVMKXERLADDUIL-UHFFFAOYSA-N 0 1 262.740 3.541 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1csc(C(F)(F)F)c1 ZINC000624260165 1118032861 /nfs/dbraw/zinc/03/28/61/1118032861.db2.gz DNJVDKKVUCZXGB-ZETCQYMHSA-N 0 1 289.326 3.649 20 0 CHADMN Cc1ccccc1[C@@H](N[C@H](C)c1nccn1C)C(C)C ZINC000182958471 1118033381 /nfs/dbraw/zinc/03/33/81/1118033381.db2.gz OYZSMSCIXYCQIY-ZBFHGGJFSA-N 0 1 271.408 3.776 20 0 CHADMN C[C@H]1CC(CN2Cc3ccc(Cl)cc3C2)C[C@H](C)O1 ZINC001209397546 1118035360 /nfs/dbraw/zinc/03/53/60/1118035360.db2.gz LAVFIZNOVLYITQ-RYUDHWBXSA-N 0 1 279.811 3.859 20 0 CHADMN CN(Cc1cc(O)ccc1Br)CC1CCCC1 ZINC000211438415 1118035792 /nfs/dbraw/zinc/03/57/92/1118035792.db2.gz ZOPXZCLVMODCHP-UHFFFAOYSA-N 0 1 298.224 3.777 20 0 CHADMN C[C@@H]1CCCC[C@H]1C[N@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000183028809 1118036248 /nfs/dbraw/zinc/03/62/48/1118036248.db2.gz ZLVGOILJKOHHEY-QLFBSQMISA-N 0 1 261.413 3.763 20 0 CHADMN CC[C@@](C)(NC[C@@H]1CCCCN1C(C)C)C(F)(F)F ZINC000579555091 1128751471 /nfs/dbraw/zinc/75/14/71/1128751471.db2.gz WESOZMYHBBZKKE-QWHCGFSZSA-N 0 1 280.378 3.570 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C1(C)CCCCC1 ZINC000579543162 1128751883 /nfs/dbraw/zinc/75/18/83/1128751883.db2.gz UFAXFZQTZKYHBP-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN Cc1cc(C)cc([C@H]2CCN(Cc3nc(C(C)C)no3)C2)c1 ZINC000183478713 1118044836 /nfs/dbraw/zinc/04/48/36/1118044836.db2.gz GRTCTIQEIJLUMK-HNNXBMFYSA-N 0 1 299.418 3.799 20 0 CHADMN CCCc1noc(CN2CC[C@H](c3cc(C)cc(C)c3)C2)n1 ZINC000183481089 1118045102 /nfs/dbraw/zinc/04/51/02/1118045102.db2.gz QSJNZCLWMKKKCG-HNNXBMFYSA-N 0 1 299.418 3.628 20 0 CHADMN O[C@H](CN[C@H](c1ccco1)c1ccccc1)C1CCCCC1 ZINC000183548382 1118045905 /nfs/dbraw/zinc/04/59/05/1118045905.db2.gz WBFUGSYPKQEPHQ-MJGOQNOKSA-N 0 1 299.414 3.900 20 0 CHADMN COc1ccc2ccccc2c1CN(C)Cc1ccncc1 ZINC000183745317 1118048382 /nfs/dbraw/zinc/04/83/82/1118048382.db2.gz OTLLDIVWWNNQSJ-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN CC[C@H](NCCOc1ccccc1F)c1nc(C)cs1 ZINC000184349233 1118053736 /nfs/dbraw/zinc/05/37/36/1118053736.db2.gz RAVFKUZGUSKQKQ-ZDUSSCGKSA-N 0 1 294.395 3.710 20 0 CHADMN Cc1ccc(CNCc2cccc(F)c2F)s1 ZINC000050225524 1118056784 /nfs/dbraw/zinc/05/67/84/1118056784.db2.gz RQPMAZHOCOKRMO-UHFFFAOYSA-N 0 1 253.317 3.625 20 0 CHADMN C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccc(F)cc2)C1 ZINC000184896660 1118057723 /nfs/dbraw/zinc/05/77/23/1118057723.db2.gz ADXQGMXBKXHSOR-GUYCJALGSA-N 0 1 270.351 3.804 20 0 CHADMN C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(F)cc2)C1 ZINC000184896626 1118058495 /nfs/dbraw/zinc/05/84/95/1118058495.db2.gz ADXQGMXBKXHSOR-SUMWQHHRSA-N 0 1 270.351 3.804 20 0 CHADMN COCCCCCN[C@H](C)c1nc(C2CCCCC2)no1 ZINC000185227223 1118060429 /nfs/dbraw/zinc/06/04/29/1118060429.db2.gz DOYAONJSJCVQAW-CYBMUJFWSA-N 0 1 295.427 3.585 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)CCO[C@@H]1CCCCO1 ZINC000185192470 1118060483 /nfs/dbraw/zinc/06/04/83/1118060483.db2.gz WOYFFKXXJADKLX-XJKSGUPXSA-N 0 1 297.826 3.876 20 0 CHADMN CC(C)[C@@H](NCc1ccc(Cl)nc1)c1ccccn1 ZINC000083471034 1118061719 /nfs/dbraw/zinc/06/17/19/1118061719.db2.gz JHRMBRVOYUYRMW-OAHLLOKOSA-N 0 1 275.783 3.617 20 0 CHADMN O=C1CCN(CCC23CC4CC(CC(C4)C2)C3)CC[C@@H]1F ZINC001209446417 1118064300 /nfs/dbraw/zinc/06/43/00/1118064300.db2.gz YJLWWUJMHULRFO-KUNBBXKYSA-N 0 1 293.426 3.596 20 0 CHADMN CCN(CC)Cc1csc(-c2ccc(C)cc2)n1 ZINC000193325790 1118065712 /nfs/dbraw/zinc/06/57/12/1118065712.db2.gz ZOQZVBMARBASBM-UHFFFAOYSA-N 0 1 260.406 3.960 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C=C3CCCCC3)ccc12 ZINC000091833579 1118067982 /nfs/dbraw/zinc/06/79/82/1118067982.db2.gz FALLWAXKYRUXRR-UHFFFAOYSA-N 0 1 269.348 3.700 20 0 CHADMN CC(C)[C@H](C)N(C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000654452554 1118071264 /nfs/dbraw/zinc/07/12/64/1118071264.db2.gz RCSPKMNZNOLCJP-VIFPVBQESA-N 0 1 289.297 3.528 20 0 CHADMN COc1cccc([C@H]2CN(CC3(C(C)C)CC3)CCO2)c1 ZINC001204449125 1118076016 /nfs/dbraw/zinc/07/60/16/1118076016.db2.gz JGIXTEQRSZEXPP-QGZVFWFLSA-N 0 1 289.419 3.505 20 0 CHADMN CCN1CCC[C@H]1c1ccc(Br)cc1 ZINC000147416836 1118079914 /nfs/dbraw/zinc/07/99/14/1118079914.db2.gz PMWKYWGZCFRZMJ-LBPRGKRZSA-N 0 1 254.171 3.606 20 0 CHADMN Cc1ccc(CN2CCC3(CC2)O[C@@H](C)c2ccccc23)[nH]1 ZINC001209575313 1118081694 /nfs/dbraw/zinc/08/16/94/1118081694.db2.gz BOFDUPQWYVYQEB-HNNXBMFYSA-N 0 1 296.414 3.906 20 0 CHADMN CC[C@@H](NCc1cnc(C)o1)c1cccc(Cl)c1 ZINC000398119535 1118084348 /nfs/dbraw/zinc/08/43/48/1118084348.db2.gz WHLCUOWBRHOMOT-CQSZACIVSA-N 0 1 264.756 3.877 20 0 CHADMN CC(C)Oc1cc(CN2[C@@H](C)CCC[C@@H]2C)c(F)cn1 ZINC001238794300 1118084367 /nfs/dbraw/zinc/08/43/67/1118084367.db2.gz OYMYSWGXFOQOMS-STQMWFEESA-N 0 1 280.387 3.771 20 0 CHADMN CCCN(Cc1ccc(F)cc1)Cc1ccc(F)nc1 ZINC000779154063 1128754561 /nfs/dbraw/zinc/75/45/61/1128754561.db2.gz PCFRBYZZDBTTMR-UHFFFAOYSA-N 0 1 276.330 3.772 20 0 CHADMN C1=C(Nc2ccc3c(c2)CN(Cc2ccccc2)C3)COC1 ZINC001203389847 1118087151 /nfs/dbraw/zinc/08/71/51/1118087151.db2.gz HVGBYMFJUOLTCE-UHFFFAOYSA-N 0 1 292.382 3.528 20 0 CHADMN Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[C@@H](C)C2)c(C)c1 ZINC000340156581 1118091662 /nfs/dbraw/zinc/09/16/62/1118091662.db2.gz IMFKCBGOTRLZLO-WBMJQRKESA-N 0 1 288.435 3.671 20 0 CHADMN Cc1ccc(-c2ccc(CNC[C@H](O)c3ccco3)o2)cc1 ZINC000237722285 1128755008 /nfs/dbraw/zinc/75/50/08/1128755008.db2.gz JOFWEDAXEYPZKA-INIZCTEOSA-N 0 1 297.354 3.671 20 0 CHADMN CCC1CCC([N@@H+](C)Cc2cc(C)c(C(=O)[O-])o2)CC1 ZINC000049024488 1118095780 /nfs/dbraw/zinc/09/57/80/1118095780.db2.gz NVGAFVAWIWSPSW-UHFFFAOYSA-N 0 1 279.380 3.687 20 0 CHADMN FC(F)(F)c1csc(Nc2ccc3nc[nH]c3c2)n1 ZINC001209841396 1118098504 /nfs/dbraw/zinc/09/85/04/1118098504.db2.gz MPGGAGPOFFYEPB-UHFFFAOYSA-N 0 1 284.266 3.782 20 0 CHADMN Cc1nccc(CN[C@@H](C)c2cccc(C3CC3)c2)n1 ZINC000340191779 1118108588 /nfs/dbraw/zinc/10/85/88/1118108588.db2.gz MNLKERAPJKZVMS-LBPRGKRZSA-N 0 1 267.376 3.513 20 0 CHADMN CCCc1ccc(CNCc2c3c(nn2C)CCCC3)cc1 ZINC000643344074 1118114518 /nfs/dbraw/zinc/11/45/18/1118114518.db2.gz UFHLPTUENIDSMP-UHFFFAOYSA-N 0 1 297.446 3.541 20 0 CHADMN COc1ncc(CN2CC[C@]3(CC[C@@H](C)C3)C2)cc1Cl ZINC000782108508 1118116835 /nfs/dbraw/zinc/11/68/35/1118116835.db2.gz RIYOVQDTIHNJNN-WBMJQRKESA-N 0 1 294.826 3.756 20 0 CHADMN Cc1cc(CN[C@@H](C)c2c(C)noc2C)cs1 ZINC000383503205 1118123135 /nfs/dbraw/zinc/12/31/35/1118123135.db2.gz ZITJXDISWGVOFD-VIFPVBQESA-N 0 1 250.367 3.512 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnc(C)nc1C)c1ccccc1OC ZINC000764885491 1118124510 /nfs/dbraw/zinc/12/45/10/1118124510.db2.gz YFCIEENGTILIIO-CXAGYDPISA-N 0 1 299.418 3.904 20 0 CHADMN COC(=O)c1cc(CN(C)[C@@H](C)c2cccs2)c(C)o1 ZINC000143384535 1118127310 /nfs/dbraw/zinc/12/73/10/1118127310.db2.gz ZRXGSSYYBXXAFX-JTQLQIEISA-N 0 1 293.388 3.629 20 0 CHADMN CN(Cc1nc2ccccc2s1)CC1(C)CCC1 ZINC000340276022 1118128419 /nfs/dbraw/zinc/12/84/19/1118128419.db2.gz FQUSKPHHXQJSIJ-UHFFFAOYSA-N 0 1 260.406 3.918 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(C(F)F)nc1 ZINC000639121113 1118128497 /nfs/dbraw/zinc/12/84/97/1118128497.db2.gz NAXGKOCRLOIBEF-SCZZXKLOSA-N 0 1 294.267 3.792 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1cccnc1OC(C)C ZINC000764984716 1118129827 /nfs/dbraw/zinc/12/98/27/1118129827.db2.gz LRPICXLCJMAWFF-SFHVURJKSA-N 0 1 296.414 3.954 20 0 CHADMN C[C@H](NCc1cc(Br)cs1)c1ccoc1 ZINC000087290304 1118133531 /nfs/dbraw/zinc/13/35/31/1118133531.db2.gz QAMPXAMIKKXEJI-QMMMGPOBSA-N 0 1 286.194 3.954 20 0 CHADMN CCC[C@H](C(=O)Nc1ccc(CN(C)C)c(F)c1)C(C)C ZINC000765131176 1118136584 /nfs/dbraw/zinc/13/65/84/1118136584.db2.gz HXEMBBRIWPLDLG-HNNXBMFYSA-N 0 1 294.414 3.898 20 0 CHADMN C[C@@H]1[C@@H](C)CN1CCCc1c(F)cccc1Cl ZINC000816646917 1118139248 /nfs/dbraw/zinc/13/92/48/1118139248.db2.gz KRPRGBYIGVVWMC-WDEREUQCSA-N 0 1 255.764 3.752 20 0 CHADMN Fc1cccc2cc(CNCc3ccsc3)cnc12 ZINC001648802432 1118146100 /nfs/dbraw/zinc/14/61/00/1118146100.db2.gz HTTFEKZLSKKNCK-UHFFFAOYSA-N 0 1 272.348 3.725 20 0 CHADMN CC(C)CN(Cc1noc(-c2ccsc2)n1)C(C)C ZINC000171883585 1118147654 /nfs/dbraw/zinc/14/76/54/1118147654.db2.gz UGKCVIYVUWRGHR-UHFFFAOYSA-N 0 1 279.409 3.665 20 0 CHADMN Cc1occc1CN[C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000765397874 1118148370 /nfs/dbraw/zinc/14/83/70/1118148370.db2.gz USBREXHJKUXSPN-ZDUSSCGKSA-N 0 1 281.359 3.625 20 0 CHADMN NC1(c2noc(-c3cc4sccc4s3)n2)CCCC1 ZINC000156493221 1118159988 /nfs/dbraw/zinc/15/99/88/1118159988.db2.gz OYWZFYCFISWVGM-UHFFFAOYSA-N 0 1 291.401 3.741 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+](C)CC1CCCCC1 ZINC000155966349 1118160140 /nfs/dbraw/zinc/16/01/40/1118160140.db2.gz SYLONDUPNNGQHG-UHFFFAOYSA-N 0 1 281.421 3.767 20 0 CHADMN Cc1ccc(CNCc2nn(C)c3ccccc23)cc1Cl ZINC000683470666 1118164546 /nfs/dbraw/zinc/16/45/46/1118164546.db2.gz IKORYGQBBFDMSG-UHFFFAOYSA-N 0 1 299.805 3.825 20 0 CHADMN O=C(Nc1cc(F)cc(F)c1)c1cc(-c2ccccc2)n[nH]1 ZINC000016305701 1118168745 /nfs/dbraw/zinc/16/87/45/1118168745.db2.gz BKFCWNWMWBHCRA-UHFFFAOYSA-N 0 1 299.280 3.607 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000221531398 1118170556 /nfs/dbraw/zinc/17/05/56/1118170556.db2.gz GAVXANOXXAZUTA-DVOMOZLQSA-N 0 1 283.371 3.696 20 0 CHADMN Cc1ccc(CN2Cc3ccccc3[C@H](C)C2)cn1 ZINC000765565570 1118171441 /nfs/dbraw/zinc/17/14/41/1118171441.db2.gz LZYDWHGGRQUCJT-CYBMUJFWSA-N 0 1 252.361 3.509 20 0 CHADMN Cc1ccc([C@H](N[C@H]2CCCn3ccnc32)C2CC2)cc1 ZINC000655687347 1118183179 /nfs/dbraw/zinc/18/31/79/1118183179.db2.gz XZYFXZQVCSGWCD-IRXDYDNUSA-N 0 1 281.403 3.767 20 0 CHADMN CCC[C@@H](N[C@H]1CCCn2ccnc21)c1ccccc1 ZINC000655682666 1118184034 /nfs/dbraw/zinc/18/40/34/1118184034.db2.gz IILCWCLQAQXZPM-CVEARBPZSA-N 0 1 269.392 3.849 20 0 CHADMN Cc1csc(CN[C@H]2CCc3cc(C)cc(C)c32)n1 ZINC000655685554 1118184950 /nfs/dbraw/zinc/18/49/50/1118184950.db2.gz HWKPGGLEEYGKCB-AWEZNQCLSA-N 0 1 272.417 3.845 20 0 CHADMN CC[N@@H+](Cc1ccoc1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001167294776 1118186604 /nfs/dbraw/zinc/18/66/04/1118186604.db2.gz WJPFBYKBLULEGH-HOTGVXAUSA-N 0 1 259.324 3.797 20 0 CHADMN Cc1cc2c(c(C)c1)[C@@H](NCc1cn3ccsc3n1)CC2 ZINC000655699967 1118188532 /nfs/dbraw/zinc/18/85/32/1118188532.db2.gz IRLFLOKSBLTQKF-HNNXBMFYSA-N 0 1 297.427 3.790 20 0 CHADMN CC(C)c1ccc(CN[C@H]2CCCn3ccnc32)cc1 ZINC000655706265 1118190991 /nfs/dbraw/zinc/19/09/91/1118190991.db2.gz KZBQCTXSDYTEDT-INIZCTEOSA-N 0 1 269.392 3.631 20 0 CHADMN CCc1[nH]nc(Cl)c1CNCc1ccc(C)cc1C ZINC000921552052 1118191127 /nfs/dbraw/zinc/19/11/27/1118191127.db2.gz CIMOHAOJSOYPNF-UHFFFAOYSA-N 0 1 277.799 3.532 20 0 CHADMN C[C@H]1CC[C@@H](NCc2csc(-c3ccco3)n2)CS1 ZINC000655724064 1118192934 /nfs/dbraw/zinc/19/29/34/1118192934.db2.gz RPHMMIKCVVYQMZ-WDEREUQCSA-N 0 1 294.445 3.777 20 0 CHADMN C[C@@H]1CC[C@H](NCc2nc(C(F)(F)F)cs2)CS1 ZINC000655723179 1118194340 /nfs/dbraw/zinc/19/43/40/1118194340.db2.gz HZHLSDPHRLGIGY-SFYZADRCSA-N 0 1 296.383 3.536 20 0 CHADMN C[C@@H](NCc1cccc2c1OCC2)c1ccsc1 ZINC000693093530 1118196119 /nfs/dbraw/zinc/19/61/19/1118196119.db2.gz VKVJJRQQNUXLLA-LLVKDONJSA-N 0 1 259.374 3.534 20 0 CHADMN COC[C@@H](NCc1ccccc1CF)c1ccc(F)cc1 ZINC001168552283 1118196500 /nfs/dbraw/zinc/19/65/00/1118196500.db2.gz CMIISOHKIYWIHM-QGZVFWFLSA-N 0 1 291.341 3.773 20 0 CHADMN COC[C@H](NCc1ccccc1CF)c1ccc(F)cc1 ZINC001168552281 1118196818 /nfs/dbraw/zinc/19/68/18/1118196818.db2.gz CMIISOHKIYWIHM-KRWDZBQOSA-N 0 1 291.341 3.773 20 0 CHADMN c1ccc2c(c1)CSC[C@@H]2NCc1cccc2c1OCC2 ZINC000921611713 1118205160 /nfs/dbraw/zinc/20/51/60/1118205160.db2.gz HPWSHCDQHANZLJ-KRWDZBQOSA-N 0 1 297.423 3.699 20 0 CHADMN CCC[C@H](CC(C)C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615796681 1128762958 /nfs/dbraw/zinc/76/29/58/1128762958.db2.gz RDVQIZAPISNTHX-CQSZACIVSA-N 0 1 287.407 3.642 20 0 CHADMN COC(=O)c1cc(CN2CCC[C@H]2c2ccccc2)oc1C ZINC000028171920 1118213059 /nfs/dbraw/zinc/21/30/59/1118213059.db2.gz WYDUJDVQQGWQDV-KRWDZBQOSA-N 0 1 299.370 3.712 20 0 CHADMN CC[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000030141649 1118217681 /nfs/dbraw/zinc/21/76/81/1118217681.db2.gz MJRKHGMWUAWBLW-ZDUSSCGKSA-N 0 1 294.826 3.709 20 0 CHADMN COc1c(C)cccc1CN[C@@H](C)c1cnccc1C ZINC000655812498 1118220193 /nfs/dbraw/zinc/22/01/93/1118220193.db2.gz PYFQPSQEJFOTEK-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN COc1c(C)cccc1CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000655811763 1118220232 /nfs/dbraw/zinc/22/02/32/1118220232.db2.gz VXYIFUUWSUVXJO-AWEZNQCLSA-N 0 1 287.407 3.632 20 0 CHADMN COc1c(C)cccc1CN[C@H]1CCc2cc(F)ccc21 ZINC000655810113 1118220893 /nfs/dbraw/zinc/22/08/93/1118220893.db2.gz HVYONNAMPWSZAA-KRWDZBQOSA-N 0 1 285.362 3.920 20 0 CHADMN CC[C@@H](NC(=O)c1cccc2nc(C)[nH]c21)c1cccs1 ZINC000338581314 1118226783 /nfs/dbraw/zinc/22/67/83/1118226783.db2.gz OUBAUPGOFGMZDQ-GFCCVEGCSA-N 0 1 299.399 3.814 20 0 CHADMN COc1c(C)cccc1CNCc1ccc(Cl)cc1 ZINC000655831734 1118227152 /nfs/dbraw/zinc/22/71/52/1118227152.db2.gz MWIMQCPYKWNBJW-UHFFFAOYSA-N 0 1 275.779 3.947 20 0 CHADMN Cc1ncsc1CN1CCCC[C@H]1c1cccnc1 ZINC001206990377 1118237083 /nfs/dbraw/zinc/23/70/83/1118237083.db2.gz RGAXDXTUSAPZPS-AWEZNQCLSA-N 0 1 273.405 3.574 20 0 CHADMN CCC[C@@H](NCc1c(C)nn(CC)c1C)c1cccnc1 ZINC000542668587 1118237586 /nfs/dbraw/zinc/23/75/86/1118237586.db2.gz NJXDFIMRFUETTD-QGZVFWFLSA-N 0 1 286.423 3.546 20 0 CHADMN CCC(C)(C)c1ccc(CN(C)Cc2cn[nH]c2)cc1 ZINC000671684850 1118238575 /nfs/dbraw/zinc/23/85/75/1118238575.db2.gz KMBKBAKUORUZDK-UHFFFAOYSA-N 0 1 271.408 3.729 20 0 CHADMN CCC(CC)CN1CCO[C@@H](c2cccc(F)c2)C1 ZINC000409445898 1118246277 /nfs/dbraw/zinc/24/62/77/1118246277.db2.gz QVDBMRNFMZORDQ-MRXNPFEDSA-N 0 1 265.372 3.635 20 0 CHADMN CN(C(=O)c1cc(-c2ccccc2)[nH]n1)C1CCCCCC1 ZINC000043975418 1118248897 /nfs/dbraw/zinc/24/88/97/1118248897.db2.gz QWZZJYWBKLEFLC-UHFFFAOYSA-N 0 1 297.402 3.872 20 0 CHADMN CCc1noc(C)c1CN[C@H](C)c1ccc(C)c(F)c1 ZINC000340440461 1118250620 /nfs/dbraw/zinc/25/06/20/1118250620.db2.gz APJAZMQFIBHBOT-LLVKDONJSA-N 0 1 276.355 3.844 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000340441657 1118251832 /nfs/dbraw/zinc/25/18/32/1118251832.db2.gz HBJGRPMLWHCKRY-QGHHPUGFSA-N 0 1 288.366 3.708 20 0 CHADMN CCCCN(CCOC)Cc1cc(F)ccc1Cl ZINC001167329965 1118309925 /nfs/dbraw/zinc/30/99/25/1118309925.db2.gz QADZROGFMZKTEB-UHFFFAOYSA-N 0 1 273.779 3.728 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CCC[C@@H]1c1cccs1 ZINC000046318441 1118261712 /nfs/dbraw/zinc/26/17/12/1118261712.db2.gz XHMMTNDLPALNBZ-CYBMUJFWSA-N 0 1 297.383 3.602 20 0 CHADMN Cc1nc([C@@H](C)NC2CC(C(C)(C)C)C2)cs1 ZINC000340453353 1118262209 /nfs/dbraw/zinc/26/22/09/1118262209.db2.gz FJXRCHFFUZIYNW-OIKLOGQESA-N 0 1 252.427 3.927 20 0 CHADMN Cc1nc([C@H](C)NC2CC(C(C)(C)C)C2)cs1 ZINC000340453344 1118262348 /nfs/dbraw/zinc/26/23/48/1118262348.db2.gz FJXRCHFFUZIYNW-GCVQQVDUSA-N 0 1 252.427 3.927 20 0 CHADMN Cc1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n[nH]1 ZINC000056187779 1118270948 /nfs/dbraw/zinc/27/09/48/1118270948.db2.gz TXSZSZBUBXJCJX-UHFFFAOYSA-N 0 1 297.402 3.646 20 0 CHADMN CC[C@@H](CN(C)[C@@H](C)c1nc(C)no1)c1ccccc1 ZINC000579979364 1118271807 /nfs/dbraw/zinc/27/18/07/1118271807.db2.gz WWFFDICKSIHVSV-JSGCOSHPSA-N 0 1 273.380 3.565 20 0 CHADMN COC[C@@H](NCC[C@@H](C)F)c1cccc(Cl)c1F ZINC000340467332 1118272682 /nfs/dbraw/zinc/27/26/82/1118272682.db2.gz GZPLSKAKSULUPR-BXKDBHETSA-N 0 1 277.742 3.504 20 0 CHADMN Cn1cc(CNCc2cccc(Oc3ccccc3)c2)cn1 ZINC000077433945 1118285215 /nfs/dbraw/zinc/28/52/15/1118285215.db2.gz AOUFYPMAACMEOG-UHFFFAOYSA-N 0 1 293.370 3.502 20 0 CHADMN Cc1c2ccccc2oc1CNCc1ccc(F)nc1 ZINC000189109988 1128767572 /nfs/dbraw/zinc/76/75/72/1128767572.db2.gz VKAFSRHUXNUOAB-UHFFFAOYSA-N 0 1 270.307 3.565 20 0 CHADMN CCN(Cc1nc([C@H](C)OCC(C)C)no1)C1CCCC1 ZINC000080627218 1118293263 /nfs/dbraw/zinc/29/32/63/1118293263.db2.gz UMLMKVNJORSBSC-ZDUSSCGKSA-N 0 1 295.427 3.568 20 0 CHADMN CCOC1CC(CC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000189253653 1128770121 /nfs/dbraw/zinc/77/01/21/1128770121.db2.gz MPLVDNAEELEJPJ-DCBWTQNWSA-N 0 1 297.826 3.901 20 0 CHADMN Fc1ccc(CNCc2ccccc2N2CCCCC2)cn1 ZINC000189178324 1128768674 /nfs/dbraw/zinc/76/86/74/1128768674.db2.gz MNKBRGUDNIJUKF-UHFFFAOYSA-N 0 1 299.393 3.501 20 0 CHADMN C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC[C@@H](C)C1 ZINC000061757115 1118307525 /nfs/dbraw/zinc/30/75/25/1118307525.db2.gz CYQBZSHDYFSHPS-OLZOCXBDSA-N 0 1 271.364 3.530 20 0 CHADMN CC(C)(C)OC1CC(NCc2c(F)cc(F)cc2F)C1 ZINC000340499701 1118307671 /nfs/dbraw/zinc/30/76/71/1118307671.db2.gz QQXAUNKBMVRRKY-UHFFFAOYSA-N 0 1 287.325 3.540 20 0 CHADMN C[C@H](N[C@@H](C)c1cc2cccc(F)c2o1)c1cn[nH]c1 ZINC000340499056 1118308083 /nfs/dbraw/zinc/30/80/83/1118308083.db2.gz NMULGZWLOMTVIA-UWVGGRQHSA-N 0 1 273.311 3.707 20 0 CHADMN CCCCN(CC)C(=O)CN1CCC[C@@H]1c1cccs1 ZINC000061781152 1118310228 /nfs/dbraw/zinc/31/02/28/1118310228.db2.gz DTHYGSMEJUUCQZ-CQSZACIVSA-N 0 1 294.464 3.534 20 0 CHADMN Clc1ccc2c(ccn2CCNCc2nccs2)c1 ZINC000671724129 1118311080 /nfs/dbraw/zinc/31/10/80/1118311080.db2.gz KXSDMHTYARCDRB-UHFFFAOYSA-N 0 1 291.807 3.541 20 0 CHADMN Cc1ccccc1[C@@H](CC(F)(F)F)NC1CSC1 ZINC000683724550 1118312114 /nfs/dbraw/zinc/31/21/14/1118312114.db2.gz CPTLMNKASZZKJH-GFCCVEGCSA-N 0 1 275.339 3.694 20 0 CHADMN Cc1ccccc1NC(=O)[C@@H](C)N1CCC2(CCC2)CC1 ZINC000671729059 1118315027 /nfs/dbraw/zinc/31/50/27/1118315027.db2.gz KAGONPHGRVMLJH-OAHLLOKOSA-N 0 1 286.419 3.588 20 0 CHADMN COc1cc([C@H](C)N[C@@H](C)c2ccc(F)c(F)c2)ccn1 ZINC000340523102 1118315553 /nfs/dbraw/zinc/31/55/53/1118315553.db2.gz DLBXDOUOQHROSY-QWRGUYRKSA-N 0 1 292.329 3.780 20 0 CHADMN Cc1cn[nH]c1CSCc1nc(C(C)(C)C)cs1 ZINC000902339010 1118316676 /nfs/dbraw/zinc/31/66/76/1118316676.db2.gz CQYCPXBAUAAHDA-UHFFFAOYSA-N 0 1 281.450 3.906 20 0 CHADMN CCCN(C)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000063761694 1118320579 /nfs/dbraw/zinc/32/05/79/1118320579.db2.gz UTHHGQWZSVIHSP-UHFFFAOYSA-N 0 1 264.756 3.837 20 0 CHADMN CCc1noc(CN2CCC[C@@H](c3ccc(CC)cc3)C2)n1 ZINC000671732986 1118321800 /nfs/dbraw/zinc/32/18/00/1118321800.db2.gz GDDAOJVRGCAOJC-MRXNPFEDSA-N 0 1 299.418 3.574 20 0 CHADMN CC[C@@H](Sc1nc(N)cc(N)n1)c1ccc(Cl)cc1 ZINC000064367936 1118324714 /nfs/dbraw/zinc/32/47/14/1118324714.db2.gz LJEJAWPTOMWVPG-SNVBAGLBSA-N 0 1 294.811 3.538 20 0 CHADMN C[C@H](N[C@H]1CCCc2occc21)c1ccc2[nH]c(=O)oc2c1 ZINC000671740778 1118329044 /nfs/dbraw/zinc/32/90/44/1118329044.db2.gz DPAUYMDULRMDGW-GWCFXTLKSA-N 0 1 298.342 3.855 20 0 CHADMN COc1ccc2c(c1)CN(Cc1ccc(C)cc1)CC2 ZINC000065163437 1118331631 /nfs/dbraw/zinc/33/16/31/1118331631.db2.gz JJTPXCONNDSIHR-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN CN(CCC(F)(F)F)Cc1cccc(OC(F)F)c1 ZINC000065235501 1118332181 /nfs/dbraw/zinc/33/21/81/1118332181.db2.gz OQPCJLOIBMGTAZ-UHFFFAOYSA-N 0 1 283.240 3.672 20 0 CHADMN Cc1scc(CN[C@@H](C)c2cncc(F)c2)c1C ZINC000399855183 1118333227 /nfs/dbraw/zinc/33/32/27/1118333227.db2.gz AIXLVVHSKOUYJU-JTQLQIEISA-N 0 1 264.369 3.750 20 0 CHADMN Cc1ccccc1OCCCN1CCc2sccc2C1 ZINC000065532655 1118334766 /nfs/dbraw/zinc/33/47/66/1118334766.db2.gz IVNJRMRYBDZCOB-UHFFFAOYSA-N 0 1 287.428 3.884 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(CC(C)C)c2)[nH]n1 ZINC000671748273 1118336390 /nfs/dbraw/zinc/33/63/90/1118336390.db2.gz UDRITYZWIMESDW-CQSZACIVSA-N 0 1 271.408 3.767 20 0 CHADMN CCC[C@H](CN1CC2(CCC2)[C@H]1c1ccco1)OC ZINC000639236321 1118337543 /nfs/dbraw/zinc/33/75/43/1118337543.db2.gz YLRDABBMIGGIPX-UKRRQHHQSA-N 0 1 263.381 3.622 20 0 CHADMN C[C@H](c1nc([C@@H]2CCC[C@H]3C[C@H]32)no1)N1[C@H](C)CC[C@@H]1C ZINC000656048711 1118338486 /nfs/dbraw/zinc/33/84/86/1118338486.db2.gz HJVYWTCAUFQUSR-ARSDKDGVSA-N 0 1 289.423 3.907 20 0 CHADMN Cc1ccc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])cc1Cl ZINC000235873340 1118346530 /nfs/dbraw/zinc/34/65/30/1118346530.db2.gz XEZBFFPRHFYHBE-AWEZNQCLSA-N 0 1 295.810 3.868 20 0 CHADMN CCC(C)(C)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000588370876 1118350998 /nfs/dbraw/zinc/35/09/98/1118350998.db2.gz VCUCPZXXSPLZRJ-HNNXBMFYSA-N 0 1 299.418 3.971 20 0 CHADMN CC(C)c1ccccc1CNCc1nc2ccccc2n1C ZINC001649102201 1118356713 /nfs/dbraw/zinc/35/67/13/1118356713.db2.gz YVXCMLKQVQZEHW-UHFFFAOYSA-N 0 1 293.414 3.987 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@@H+](C)CCCC(=O)[O-] ZINC000083662668 1118357472 /nfs/dbraw/zinc/35/74/72/1118357472.db2.gz KRPBCKVBLALKTE-CYBMUJFWSA-N 0 1 271.360 3.697 20 0 CHADMN CC(C)(C[NH2+]Cc1c(F)ccc([O-])c1F)CC(F)(F)F ZINC000827980423 1118360383 /nfs/dbraw/zinc/36/03/83/1118360383.db2.gz MOYVUMXIZIKCSD-UHFFFAOYSA-N 0 1 297.267 3.739 20 0 CHADMN CCC(C)(C)CCN1Cc2ccc(C(=O)OC)cc2C1 ZINC000610369222 1118362779 /nfs/dbraw/zinc/36/27/79/1118362779.db2.gz VYISAVDYEJZMNS-UHFFFAOYSA-N 0 1 275.392 3.615 20 0 CHADMN OC[C@H](NCc1ccc(C2CCC2)cc1)c1cccc(F)c1 ZINC000683784804 1118363626 /nfs/dbraw/zinc/36/36/26/1118363626.db2.gz HHDRBGSVSYTKTE-IBGZPJMESA-N 0 1 299.389 3.916 20 0 CHADMN C[C@H]1CCC[C@H](C)N1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000129437590 1118364617 /nfs/dbraw/zinc/36/46/17/1118364617.db2.gz HPNQNVRSAXBPQW-STQMWFEESA-N 0 1 289.423 3.861 20 0 CHADMN Clc1ccc(CN(Cc2ccccn2)C2CC2)cc1 ZINC000071114809 1118372939 /nfs/dbraw/zinc/37/29/39/1118372939.db2.gz IMCJBOBZHHYSNY-UHFFFAOYSA-N 0 1 272.779 3.900 20 0 CHADMN CC[C@@H](C)N(C)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000072601516 1118374649 /nfs/dbraw/zinc/37/46/49/1118374649.db2.gz KKNRXNWPCLBWMI-CYBMUJFWSA-N 0 1 258.365 3.880 20 0 CHADMN C[C@H](N[C@H](c1ccco1)c1ccccc1)[C@@H]1CCCCO1 ZINC000379226580 1128773443 /nfs/dbraw/zinc/77/34/43/1128773443.db2.gz MQUGJDCOTYJIMR-ZVZYQTTQSA-N 0 1 285.387 3.916 20 0 CHADMN Cc1noc([C@H](C)[N@H+]2C[C@H](c3ccc(C)cc3)C[C@@H]2C)n1 ZINC000683800880 1118376504 /nfs/dbraw/zinc/37/65/04/1118376504.db2.gz SMHHFVOBBPLQQJ-HEHGZKQESA-N 0 1 285.391 3.625 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)N(Cc3nnc(C4CC4)o3)C2)cc1 ZINC000683799527 1118376935 /nfs/dbraw/zinc/37/69/35/1118376935.db2.gz CGEULUQNUQREND-BBRMVZONSA-N 0 1 297.402 3.633 20 0 CHADMN CCN(CC)[C@H](CNC(=O)CC(C)(C)CC)c1ccco1 ZINC000073054396 1118378702 /nfs/dbraw/zinc/37/87/02/1118378702.db2.gz FHAWYCDEGRDDGL-CQSZACIVSA-N 0 1 294.439 3.605 20 0 CHADMN Cc1ccc(-c2noc([C@@H](C)N3CCCCC3)n2)cc1F ZINC000073597961 1118383267 /nfs/dbraw/zinc/38/32/67/1118383267.db2.gz ZPAZNAFQUVJGIG-GFCCVEGCSA-N 0 1 289.354 3.731 20 0 CHADMN O=C(NCCCC1CC1)c1ccc(Nc2ccncc2)cc1 ZINC000073822248 1118384786 /nfs/dbraw/zinc/38/47/86/1118384786.db2.gz CRCUXPNBFHDFDP-UHFFFAOYSA-N 0 1 295.386 3.745 20 0 CHADMN CO[C@H](c1ccccc1)[C@H](C)NCc1nc(C)c(C)s1 ZINC000683818254 1118386836 /nfs/dbraw/zinc/38/68/36/1118386836.db2.gz DZHZYWSFSMOZNA-LRDDRELGSA-N 0 1 290.432 3.626 20 0 CHADMN CC[C@@H](C)CN(C)Cc1coc(-c2cccs2)n1 ZINC000111255237 1118390076 /nfs/dbraw/zinc/39/00/76/1118390076.db2.gz UZVDIEAPUZXBHY-LLVKDONJSA-N 0 1 264.394 3.881 20 0 CHADMN COC(C)(C)CN(C)Cc1ccc(F)c(Cl)c1Cl ZINC000580148446 1118390797 /nfs/dbraw/zinc/39/07/97/1118390797.db2.gz TZHZCFHRXIQVTH-UHFFFAOYSA-N 0 1 294.197 3.989 20 0 CHADMN CNc1ccc(C)cc1CN[C@@H](C)c1cnc(C)s1 ZINC000902631457 1118401251 /nfs/dbraw/zinc/40/12/51/1118401251.db2.gz WTIDBIDRWPOXDW-NSHDSACASA-N 0 1 275.421 3.652 20 0 CHADMN CCCOc1ccc(CN[C@H](COC)c2ccccc2)cc1 ZINC000113355468 1118403314 /nfs/dbraw/zinc/40/33/14/1118403314.db2.gz ZRQIEGLHAXTKTL-LJQANCHMSA-N 0 1 299.414 3.953 20 0 CHADMN COC1CCC(Nc2cc(OC(C)(C)C)ccn2)CC1 ZINC001168611453 1118410797 /nfs/dbraw/zinc/41/07/97/1118410797.db2.gz VCVYYTPEPDFSSD-UHFFFAOYSA-N 0 1 278.396 3.628 20 0 CHADMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1ccccc1C(=O)[O-])C1CC1 ZINC000580319664 1118420837 /nfs/dbraw/zinc/42/08/37/1118420837.db2.gz TYRNKCUMLDDUGT-QWHCGFSZSA-N 0 1 275.392 3.784 20 0 CHADMN Cc1ccccc1[C@H](C(=O)[O-])[N@@H+](C)CC1CCCCC1 ZINC000580319545 1118420885 /nfs/dbraw/zinc/42/08/85/1118420885.db2.gz PAUUGXKBNQSORX-MRXNPFEDSA-N 0 1 275.392 3.633 20 0 CHADMN C(=C\c1ccccc1)\COc1ccccc1-c1nnc[nH]1 ZINC000255442826 1118429389 /nfs/dbraw/zinc/42/93/89/1118429389.db2.gz SWGKMPMZQAXXAS-TWGQIWQCSA-N 0 1 277.327 3.564 20 0 CHADMN Cn1cnc(C[N@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)c1 ZINC000683898641 1118432213 /nfs/dbraw/zinc/43/22/13/1118432213.db2.gz QQDNRIYOCKQJNL-YAINUAMHSA-N 0 1 295.430 3.878 20 0 CHADMN Cn1cnc(CN2CCCCC[C@@H]2/C=C\c2ccccc2)c1 ZINC000683898641 1118432216 /nfs/dbraw/zinc/43/22/16/1118432216.db2.gz QQDNRIYOCKQJNL-YAINUAMHSA-N 0 1 295.430 3.878 20 0 CHADMN CC[N@@H+](Cc1oc(C)nc1C)[C@H](C)c1cccc(O)c1 ZINC000683899176 1118432804 /nfs/dbraw/zinc/43/28/04/1118432804.db2.gz VYSMFXLMHIAJPT-GFCCVEGCSA-N 0 1 274.364 3.580 20 0 CHADMN CCN(Cc1oc(C)nc1C)[C@H](C)c1cccc(O)c1 ZINC000683899176 1118432805 /nfs/dbraw/zinc/43/28/05/1118432805.db2.gz VYSMFXLMHIAJPT-GFCCVEGCSA-N 0 1 274.364 3.580 20 0 CHADMN Cc1nc(C)c(CN(C)[C@H](C)c2ccc(C)cc2)o1 ZINC000683898140 1118433417 /nfs/dbraw/zinc/43/34/17/1118433417.db2.gz FPXPQKLMVZHSLF-CYBMUJFWSA-N 0 1 258.365 3.793 20 0 CHADMN CC(C)(CC[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1)C1CC1 ZINC000656191022 1118435483 /nfs/dbraw/zinc/43/54/83/1118435483.db2.gz ZWOHTNAKEJKUIO-UHFFFAOYSA-N 0 1 293.382 3.539 20 0 CHADMN Cc1ccc(CNCc2ccccc2C(F)(F)F)o1 ZINC000050198225 1118436757 /nfs/dbraw/zinc/43/67/57/1118436757.db2.gz BVKCDXJCINEZGX-UHFFFAOYSA-N 0 1 269.266 3.897 20 0 CHADMN CSc1ccc(CNc2ccc3c[nH]nc3c2)cc1 ZINC000035040369 1118458768 /nfs/dbraw/zinc/45/87/68/1118458768.db2.gz JMLVYODPXQRJIK-UHFFFAOYSA-N 0 1 269.373 3.897 20 0 CHADMN CC(C)[C@H]1CCCCN1Cc1scnc1Cl ZINC001167405578 1118460941 /nfs/dbraw/zinc/46/09/41/1118460941.db2.gz GIIQYTOVTNPVQA-SNVBAGLBSA-N 0 1 258.818 3.807 20 0 CHADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000263066232 1118463368 /nfs/dbraw/zinc/46/33/68/1118463368.db2.gz OESCYNIFKZXSBW-RYUDHWBXSA-N 0 1 295.448 3.588 20 0 CHADMN Cc1cnc([C@H](C)NCCOC2CCCCCC2)s1 ZINC000348494288 1118463855 /nfs/dbraw/zinc/46/38/55/1118463855.db2.gz NXQOQBFUAMMYJP-ZDUSSCGKSA-N 0 1 282.453 3.842 20 0 CHADMN COc1cc([C@H](C)N[C@H](C)c2c(C)noc2C)ccc1F ZINC000153790319 1118463915 /nfs/dbraw/zinc/46/39/15/1118463915.db2.gz XQFWXZHCSLAMNN-VHSXEESVSA-N 0 1 292.354 3.851 20 0 CHADMN Cc1ccc([C@@H]2COCCN2C[C@H]2CCC[C@H](C)C2)o1 ZINC001167412630 1118468076 /nfs/dbraw/zinc/46/80/76/1118468076.db2.gz OXCRDXSSXYXYBH-BPUTZDHNSA-N 0 1 277.408 3.788 20 0 CHADMN CC[C@H]1C[N@@H+](Cc2ccc(C)c(Cl)c2)CCS1 ZINC001658490598 1118471331 /nfs/dbraw/zinc/47/13/31/1118471331.db2.gz ZJXXRNURKSUBOF-ZDUSSCGKSA-N 0 1 269.841 3.976 20 0 CHADMN CC[C@H]1CN(Cc2ccc(C)c(Cl)c2)CCS1 ZINC001658490598 1118471332 /nfs/dbraw/zinc/47/13/32/1118471332.db2.gz ZJXXRNURKSUBOF-ZDUSSCGKSA-N 0 1 269.841 3.976 20 0 CHADMN CC1=CC[C@](C)(C(=O)Nc2ccc(F)c(F)c2O)CC1 ZINC000616194959 1128780532 /nfs/dbraw/zinc/78/05/32/1128780532.db2.gz IKDMPVSIUSSUJV-HNNXBMFYSA-N 0 1 281.302 3.745 20 0 CHADMN CCOc1ccc(C)c(F)c1-c1ccc2cncn2c1 ZINC001236526051 1128780612 /nfs/dbraw/zinc/78/06/12/1128780612.db2.gz BBHIPQXPYMSKSM-UHFFFAOYSA-N 0 1 270.307 3.848 20 0 CHADMN Cc1ccc([C@H](C)N(C)CC(=O)N(C(C)C)C(C)C)cc1 ZINC000047959666 1118481677 /nfs/dbraw/zinc/48/16/77/1118481677.db2.gz MOZUNQRXNGIHFI-INIZCTEOSA-N 0 1 290.451 3.633 20 0 CHADMN C#CCCC/N=C/c1cc(Cl)cc(Cl)c1O ZINC000189649570 1128781050 /nfs/dbraw/zinc/78/10/50/1128781050.db2.gz XGMJTXCOLNPQGP-OVCLIPMQSA-N 0 1 256.132 3.531 20 0 CHADMN CC(C)Cc1ccc(CN2CC3(CC3(F)F)C2)cc1 ZINC000656266210 1118487755 /nfs/dbraw/zinc/48/77/55/1118487755.db2.gz UGYZYSBEWHXFKA-UHFFFAOYSA-N 0 1 265.347 3.726 20 0 CHADMN Cn1cncc1Nc1ccc2c(c1)Cc1ccccc1-2 ZINC001211250391 1118488597 /nfs/dbraw/zinc/48/85/97/1118488597.db2.gz JWIRCACGCKKKPD-UHFFFAOYSA-N 0 1 261.328 3.735 20 0 CHADMN c1cc(CN(Cc2ccccc2)CC2CC3(CCC3)C2)n[nH]1 ZINC001167429360 1118489687 /nfs/dbraw/zinc/48/96/87/1118489687.db2.gz IPJIGJMANHXAOL-UHFFFAOYSA-N 0 1 295.430 3.992 20 0 CHADMN COc1cnccc1Nc1ccc(Cl)c(Cl)c1F ZINC001211263375 1118492498 /nfs/dbraw/zinc/49/24/98/1118492498.db2.gz NTEDMOBVJHMYSG-UHFFFAOYSA-N 0 1 287.121 3.702 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000580723437 1118496281 /nfs/dbraw/zinc/49/62/81/1118496281.db2.gz ZSCUCXRPCDHONZ-DOMZBBRYSA-N 0 1 288.341 3.910 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnccn1)c1ccc(C)c(F)c1 ZINC000091742860 1118510379 /nfs/dbraw/zinc/51/03/79/1118510379.db2.gz PSBGKTKSIBAGAT-IUODEOHRSA-N 0 1 273.355 3.726 20 0 CHADMN Cc1ccc(C[N@@H+](CC2(CC(=O)[O-])CC2)C2CC2)cc1C ZINC000580897886 1118518332 /nfs/dbraw/zinc/51/83/32/1118518332.db2.gz RQLTXYVEPLGUGA-UHFFFAOYSA-N 0 1 287.403 3.523 20 0 CHADMN CCCN[C@H](C)c1nc([C@H]2CCCc3ccccc32)no1 ZINC000109514996 1118528949 /nfs/dbraw/zinc/52/89/49/1118528949.db2.gz GJVHWRUPLFVDAD-DOMZBBRYSA-N 0 1 285.391 3.598 20 0 CHADMN CCCCC[C@H](NC)c1nc(-c2ncccc2CC)no1 ZINC001212281068 1128784000 /nfs/dbraw/zinc/78/40/00/1128784000.db2.gz FTRNDHBMCMABBV-ZDUSSCGKSA-N 0 1 288.395 3.535 20 0 CHADMN c1ccc([C@@H]2CCN2Cc2ccc3c(n2)CCC3)cc1 ZINC000656396693 1118541477 /nfs/dbraw/zinc/54/14/77/1118541477.db2.gz CUNHPBZTUDHHDG-SFHVURJKSA-N 0 1 264.372 3.517 20 0 CHADMN COc1ccc(CN(C)Cc2ccc3c(n2)CCC3)cc1C ZINC000656430937 1118549241 /nfs/dbraw/zinc/54/92/41/1118549241.db2.gz SGDURCWUCSWJBV-UHFFFAOYSA-N 0 1 296.414 3.519 20 0 CHADMN CCN(C(=O)c1ccc2cncn2c1)c1ccccc1Cl ZINC000340913730 1118553147 /nfs/dbraw/zinc/55/31/47/1118553147.db2.gz UGTFMVAVDBXFHC-UHFFFAOYSA-N 0 1 299.761 3.654 20 0 CHADMN CCC(CC)(c1nc([C@H]2CCCN2)no1)c1ccccc1 ZINC000647149077 1118554053 /nfs/dbraw/zinc/55/40/53/1118554053.db2.gz DCGJAKHYAYTKCT-CQSZACIVSA-N 0 1 285.391 3.600 20 0 CHADMN Oc1ccc2c(c1)CN([C@H]1CCCc3ccc(F)cc31)CC2 ZINC000510380950 1118559112 /nfs/dbraw/zinc/55/91/12/1118559112.db2.gz VJVQRTUHLLZWSK-IBGZPJMESA-N 0 1 297.373 3.967 20 0 CHADMN CCCc1ccc([C@@H](NCc2cnccn2)C(C)C)cc1 ZINC000656469586 1118559739 /nfs/dbraw/zinc/55/97/39/1118559739.db2.gz BEMWOMZQXIZFQG-SFHVURJKSA-N 0 1 283.419 3.916 20 0 CHADMN Clc1ccccc1CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000352440984 1118562972 /nfs/dbraw/zinc/56/29/72/1118562972.db2.gz RDNZLSKJVRARJO-HOTGVXAUSA-N 0 1 291.822 3.874 20 0 CHADMN Clc1ccccc1CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000352440985 1118563274 /nfs/dbraw/zinc/56/32/74/1118563274.db2.gz RDNZLSKJVRARJO-HZPDHXFCSA-N 0 1 291.822 3.874 20 0 CHADMN Cc1ccc(/C=C\c2nc([C@@H]3CCCN3)no2)cc1Cl ZINC000647154944 1118567273 /nfs/dbraw/zinc/56/72/73/1118567273.db2.gz NZMCFHBILOCOHG-FWWRYZNZSA-N 0 1 289.766 3.626 20 0 CHADMN Cc1ccccc1-c1noc(-c2cc(-c3ccoc3)n[nH]2)n1 ZINC000544933926 1118568807 /nfs/dbraw/zinc/56/88/07/1118568807.db2.gz DSSXDFXMBHMRJP-UHFFFAOYSA-N 0 1 292.298 3.695 20 0 CHADMN CC(C)CN(C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000065961919 1118569934 /nfs/dbraw/zinc/56/99/34/1118569934.db2.gz DDCYQXQQERDCAY-UHFFFAOYSA-N 0 1 262.328 3.569 20 0 CHADMN Cc1nnsc1CN[C@H](C)c1ccc2ccccc2c1 ZINC000293782718 1118579117 /nfs/dbraw/zinc/57/91/17/1118579117.db2.gz TZRLHQDJFOHJCU-LLVKDONJSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1cnc(CN[C@H](CC(C)C)c2cccs2)n1C ZINC000341013789 1118584584 /nfs/dbraw/zinc/58/45/84/1118584584.db2.gz QBKIKIXSZJYQNT-CYBMUJFWSA-N 0 1 277.437 3.667 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CN1CCc2ccccc2C1 ZINC000891389179 1118586958 /nfs/dbraw/zinc/58/69/58/1118586958.db2.gz CQEAMJNEOKKIPL-UHFFFAOYSA-N 0 1 283.419 3.639 20 0 CHADMN Cc1ccnc(NC[C@H]2CC[C@H](c3ccccc3)O2)c1 ZINC000341060902 1118598540 /nfs/dbraw/zinc/59/85/40/1118598540.db2.gz ZVLWQPJQJXYVHV-HZPDHXFCSA-N 0 1 268.360 3.722 20 0 CHADMN Cc1ccnc(NC[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000341060869 1118598574 /nfs/dbraw/zinc/59/85/74/1118598574.db2.gz ZVLWQPJQJXYVHV-CVEARBPZSA-N 0 1 268.360 3.722 20 0 CHADMN Cc1ccnc(CN2CCCC[C@@H]2CCc2ccccc2)n1 ZINC000341054332 1118599159 /nfs/dbraw/zinc/59/91/59/1118599159.db2.gz VPFHUBAXJGWYDO-GOSISDBHSA-N 0 1 295.430 3.772 20 0 CHADMN Oc1ccc(CNCc2ccc(F)cc2F)cc1Cl ZINC000051017103 1118604654 /nfs/dbraw/zinc/60/46/54/1118604654.db2.gz VJTYRSDVNZMCBM-UHFFFAOYSA-N 0 1 283.705 3.614 20 0 CHADMN Cc1cnc(CN[C@H](C)c2cccc3ccccc32)n1C ZINC000341141027 1118605780 /nfs/dbraw/zinc/60/57/80/1118605780.db2.gz VHLRBOGWUWTBBT-CQSZACIVSA-N 0 1 279.387 3.733 20 0 CHADMN COc1cc(CN[C@H](C)c2cc(C)ccn2)ccc1C ZINC000285539421 1118607169 /nfs/dbraw/zinc/60/71/69/1118607169.db2.gz CBENVKWLNYNSPC-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN C[C@H](NC/C=C/Cl)c1ccc(Br)s1 ZINC000308222025 1118609493 /nfs/dbraw/zinc/60/94/93/1118609493.db2.gz CNAMSBIUVHCZCI-KNQJERJVSA-N 0 1 280.618 3.914 20 0 CHADMN CC1(C)CCN(Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000341182130 1118611721 /nfs/dbraw/zinc/61/17/21/1118611721.db2.gz HTLQZWGEIDBYFQ-UHFFFAOYSA-N 0 1 287.382 3.633 20 0 CHADMN CC(C)N(CC(=O)Nc1ccc2ccccc2c1)C1CC1 ZINC000074237339 1118621069 /nfs/dbraw/zinc/62/10/69/1118621069.db2.gz XYNQGNAVHFUUHE-UHFFFAOYSA-N 0 1 282.387 3.651 20 0 CHADMN Clc1ncccc1C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000250076083 1118627845 /nfs/dbraw/zinc/62/78/45/1118627845.db2.gz KFUYXLBLCBJDFV-STQMWFEESA-N 0 1 264.800 3.747 20 0 CHADMN C[C@@H](NCc1c(C2CC2)cnn1C)c1ccc(Cl)cc1 ZINC000656684867 1118635298 /nfs/dbraw/zinc/63/52/98/1118635298.db2.gz HUVAEZHHSPVLPF-LLVKDONJSA-N 0 1 289.810 3.802 20 0 CHADMN Cn1ncc(C2CCC2)c1CN[C@H]1CCc2ccc(F)cc21 ZINC000656689390 1118637488 /nfs/dbraw/zinc/63/74/88/1118637488.db2.gz QSQYFRPCGDKTTI-KRWDZBQOSA-N 0 1 299.393 3.604 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)CCC(C)C)c1 ZINC000126676577 1118637807 /nfs/dbraw/zinc/63/78/07/1118637807.db2.gz YIPIJPAMAYDCFZ-HNNXBMFYSA-N 0 1 276.424 3.608 20 0 CHADMN Cc1cc2cc(CN3CC4(CC(F)C4)C3)oc2cc1C ZINC000656693991 1118638211 /nfs/dbraw/zinc/63/82/11/1118638211.db2.gz IQJSVIYHVWIRGQ-UHFFFAOYSA-N 0 1 273.351 3.984 20 0 CHADMN Cc1oc(-c2ccccc2)nc1CN(C)C1CCC1 ZINC000075840799 1118640273 /nfs/dbraw/zinc/64/02/73/1118640273.db2.gz APAGQRQUJJPNSR-UHFFFAOYSA-N 0 1 256.349 3.634 20 0 CHADMN CN(Cc1ccccc1Cl)C[C@@H](O)c1cccc(F)c1 ZINC000051118846 1118640494 /nfs/dbraw/zinc/64/04/94/1118640494.db2.gz QBAXTQDCDAHFHM-MRXNPFEDSA-N 0 1 293.769 3.645 20 0 CHADMN COc1ccc(CN2CCCCC[C@H]2c2ccncc2)o1 ZINC000891439850 1118641397 /nfs/dbraw/zinc/64/13/97/1118641397.db2.gz FDPOUGWYQIPDBQ-INIZCTEOSA-N 0 1 286.375 3.801 20 0 CHADMN COc1ccc(CN2CCCCC[C@@H]2c2ccncc2)o1 ZINC000891439851 1118641566 /nfs/dbraw/zinc/64/15/66/1118641566.db2.gz FDPOUGWYQIPDBQ-MRXNPFEDSA-N 0 1 286.375 3.801 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccc(F)c(C)c2)s1 ZINC000090401019 1118646027 /nfs/dbraw/zinc/64/60/27/1118646027.db2.gz MCMLMWMHHAMSRI-JTQLQIEISA-N 0 1 264.369 3.750 20 0 CHADMN Cc1cccc(C)c1[C@H]1CCC[N@H+]1Cc1occc1C(=O)[O-] ZINC000656755817 1118649975 /nfs/dbraw/zinc/64/99/75/1118649975.db2.gz DEAGRNMRUKWKAB-OAHLLOKOSA-N 0 1 299.370 3.932 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@H](CC)CC[C@H]1C ZINC000656768080 1118653474 /nfs/dbraw/zinc/65/34/74/1118653474.db2.gz JMLSXLCUMJKNGZ-VXGBXAGGSA-N 0 1 279.380 3.551 20 0 CHADMN FC(F)Oc1cc(CNCc2ccc(Cl)cc2)ccn1 ZINC000341285391 1118653892 /nfs/dbraw/zinc/65/38/92/1118653892.db2.gz ZVYMOEQNWAIIAY-UHFFFAOYSA-N 0 1 298.720 3.626 20 0 CHADMN CCc1ccc(C)nc1NCc1cnc(C(C)(C)C)nc1 ZINC000656778933 1118656051 /nfs/dbraw/zinc/65/60/51/1118656051.db2.gz NYHPIYUERYUULS-UHFFFAOYSA-N 0 1 284.407 3.652 20 0 CHADMN Cc1ccnc(NCc2cncn2C(C)C)c1C1CC1 ZINC000656779173 1118656204 /nfs/dbraw/zinc/65/62/04/1118656204.db2.gz ICPSJYJXJDOYAF-UHFFFAOYSA-N 0 1 270.380 3.657 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)CCC(F)F)cc2[nH]1 ZINC000684366151 1118658391 /nfs/dbraw/zinc/65/83/91/1118658391.db2.gz KLTHIXCRGBSHJN-UHFFFAOYSA-N 0 1 295.333 3.844 20 0 CHADMN CC(C)c1nnc(CNC2CC(c3ccccc3)C2)s1 ZINC000341297319 1118660594 /nfs/dbraw/zinc/66/05/94/1118660594.db2.gz ZXQURDZCASIZSD-UHFFFAOYSA-N 0 1 287.432 3.697 20 0 CHADMN COc1ccc(C)cc1CNC1(c2ccccc2)CC1 ZINC000077378147 1118663426 /nfs/dbraw/zinc/66/34/26/1118663426.db2.gz JLPSWJJMXRNDPL-UHFFFAOYSA-N 0 1 267.372 3.783 20 0 CHADMN CC=C(C)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000175919972 1118678744 /nfs/dbraw/zinc/67/87/44/1118678744.db2.gz GEAGRELLHATDIK-XCVCLJGOSA-N 0 1 269.348 3.735 20 0 CHADMN C[C@H]1C[C@H](C)N1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000684411315 1118685710 /nfs/dbraw/zinc/68/57/10/1118685710.db2.gz JFJANJXPBDDWFI-STQMWFEESA-N 0 1 289.810 3.568 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2CCc3c2cccc3F)s1 ZINC000090406001 1118696182 /nfs/dbraw/zinc/69/61/82/1118696182.db2.gz ICZIRGUCPBATMI-YMTOWFKASA-N 0 1 276.380 3.929 20 0 CHADMN COc1cccc2c1CC[C@@H]2NCc1cn(C(C)C)nc1C ZINC000341410219 1118696222 /nfs/dbraw/zinc/69/62/22/1118696222.db2.gz UVJKAZYACZSFDJ-KRWDZBQOSA-N 0 1 299.418 3.558 20 0 CHADMN CCN(Cc1cccs1)Cc1cnc(F)cc1C ZINC000891511675 1118699958 /nfs/dbraw/zinc/69/99/58/1118699958.db2.gz YDCZYQGOHNDUMY-UHFFFAOYSA-N 0 1 264.369 3.613 20 0 CHADMN COc1cc(NCc2[nH]nc3ccccc32)c(C)cc1C ZINC000684428781 1118704874 /nfs/dbraw/zinc/70/48/74/1118704874.db2.gz DTYYFONPSMEPMQ-UHFFFAOYSA-N 0 1 281.359 3.800 20 0 CHADMN CCn1cc(CN2CCC[C@H]2c2ccc(F)cc2)c(C)n1 ZINC000891550947 1118707798 /nfs/dbraw/zinc/70/77/98/1118707798.db2.gz TZCUTEGYYIIZIU-KRWDZBQOSA-N 0 1 287.382 3.688 20 0 CHADMN CCc1nnc([C@H](C)N2CCC[C@@H](C(C)(C)C)CC2)o1 ZINC000341443855 1118709215 /nfs/dbraw/zinc/70/92/15/1118709215.db2.gz WLIHZZQQSKFYPY-QWHCGFSZSA-N 0 1 279.428 3.841 20 0 CHADMN CCC(CC)[C@@H](C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000341457094 1118711138 /nfs/dbraw/zinc/71/11/38/1118711138.db2.gz PAVVLWIZFRBRIO-IUODEOHRSA-N 0 1 296.480 3.539 20 0 CHADMN CC(C)c1noc(-c2cc(-c3ccccc3Cl)n[nH]2)n1 ZINC000130597133 1118715021 /nfs/dbraw/zinc/71/50/21/1118715021.db2.gz QBXVLSUFRSZCLR-UHFFFAOYSA-N 0 1 288.738 3.904 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)CCCF)cc2[nH]1 ZINC000665767236 1118724878 /nfs/dbraw/zinc/72/48/78/1118724878.db2.gz DWBFBMQNROLSFJ-UHFFFAOYSA-N 0 1 277.343 3.549 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1cccc(C)c1C)CCO2 ZINC000341535152 1118725890 /nfs/dbraw/zinc/72/58/90/1118725890.db2.gz NOYCMERQIJTCGW-SFHVURJKSA-N 0 1 297.398 3.925 20 0 CHADMN Cc1ccc(CNCc2cccc(OC(F)(F)F)c2)nc1 ZINC000400822903 1118729413 /nfs/dbraw/zinc/72/94/13/1118729413.db2.gz HAMGPVUJCQPZOW-UHFFFAOYSA-N 0 1 296.292 3.578 20 0 CHADMN O=C1[C@H]2CCCCC2=NN1c1nc(-c2ccccc2)cs1 ZINC000205823477 1118744551 /nfs/dbraw/zinc/74/45/51/1118744551.db2.gz SHVQNPZAOPOMTE-LBPRGKRZSA-N 0 1 297.383 3.703 20 0 CHADMN CCN(Cc1cnn(C)c1C1CC1)[C@@H](C)c1cccc(O)c1 ZINC000891714097 1118750142 /nfs/dbraw/zinc/75/01/42/1118750142.db2.gz RNLSKEDDBQTUQP-ZDUSSCGKSA-N 0 1 299.418 3.586 20 0 CHADMN Fc1cccc(C[C@H]2CCCN2Cc2nccn2C2CC2)c1 ZINC000891733733 1118753306 /nfs/dbraw/zinc/75/33/06/1118753306.db2.gz GKMXOTRAHPJVQS-QGZVFWFLSA-N 0 1 299.393 3.564 20 0 CHADMN CC(C)(C)CCCCC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000341596338 1118754250 /nfs/dbraw/zinc/75/42/50/1118754250.db2.gz VQYYMXCUDCCSOX-UHFFFAOYSA-N 0 1 290.367 3.610 20 0 CHADMN CC[C@]1(C)CCCN(Cc2cc(C(=O)OC)ccc2F)C1 ZINC001167492011 1118759992 /nfs/dbraw/zinc/75/99/92/1118759992.db2.gz PWSCIAADQABFRC-QGZVFWFLSA-N 0 1 293.382 3.624 20 0 CHADMN Cc1cccc(C[N@H+]2CCSC3(CCCCC3)C2)n1 ZINC000430756433 1118767612 /nfs/dbraw/zinc/76/76/12/1118767612.db2.gz MDCYQELWUAGOOQ-UHFFFAOYSA-N 0 1 276.449 3.642 20 0 CHADMN OCC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000087765504 1118767759 /nfs/dbraw/zinc/76/77/59/1118767759.db2.gz ZUYPSLFTQIPFAM-ZDUSSCGKSA-N 0 1 288.218 3.730 20 0 CHADMN OCC[C@@H]1CCCCN1Cc1cc(Cl)ccc1Cl ZINC000087765504 1118767762 /nfs/dbraw/zinc/76/77/62/1118767762.db2.gz ZUYPSLFTQIPFAM-ZDUSSCGKSA-N 0 1 288.218 3.730 20 0 CHADMN CC[C@@H]1CN([C@@H]2CCCc3ccc(F)cc32)C[C@@H](C)O1 ZINC000510551192 1118768403 /nfs/dbraw/zinc/76/84/03/1118768403.db2.gz RJZOEMFOPGVGKW-SRCQZFHVSA-N 0 1 277.383 3.702 20 0 CHADMN CCCCOCCN(C)[C@@H](C)c1ccccc1F ZINC000056494900 1118773659 /nfs/dbraw/zinc/77/36/59/1118773659.db2.gz CMDOFHDSPSGBOV-ZDUSSCGKSA-N 0 1 253.361 3.635 20 0 CHADMN C[C@@H]1CCc2nc(CN(C)CC(C)(C)C)sc2C1 ZINC000510624190 1118778450 /nfs/dbraw/zinc/77/84/50/1118778450.db2.gz GPKJQGFMYYZODU-LLVKDONJSA-N 0 1 266.454 3.746 20 0 CHADMN CC1=C[C@H](C)C[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000430873868 1118780904 /nfs/dbraw/zinc/78/09/04/1118780904.db2.gz AHYNHVIKGHGOFL-LBPRGKRZSA-N 0 1 285.416 3.603 20 0 CHADMN COc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c2ccccc12 ZINC000510642682 1118781125 /nfs/dbraw/zinc/78/11/25/1118781125.db2.gz CTAWYWSMARKVTI-HKUYNNGSSA-N 0 1 297.398 3.602 20 0 CHADMN COc1ccc(CN2CCO[C@H]3CCC[C@@H]32)c2ccccc12 ZINC000510642682 1118781128 /nfs/dbraw/zinc/78/11/28/1118781128.db2.gz CTAWYWSMARKVTI-HKUYNNGSSA-N 0 1 297.398 3.602 20 0 CHADMN CC(C)C1CCC(N(C)C(=O)c2ccc3cncn3c2)CC1 ZINC000341658258 1118786819 /nfs/dbraw/zinc/78/68/19/1118786819.db2.gz IGEYFLIMFMBGMX-UHFFFAOYSA-N 0 1 299.418 3.621 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2cc(F)cc(F)c2)C1 ZINC001167493283 1118793298 /nfs/dbraw/zinc/79/32/98/1118793298.db2.gz XRFNBOQUELCDAM-HNNXBMFYSA-N 0 1 253.336 3.977 20 0 CHADMN CC[C@H](N[C@H]1CCC[C@H](CCCC(=O)OC)C1)C(F)F ZINC000449361110 1118795298 /nfs/dbraw/zinc/79/52/98/1118795298.db2.gz KOEJETJQFSCDRV-AGIUHOORSA-N 0 1 291.382 3.522 20 0 CHADMN CC(C)(C)c1nc(CSc2ccc(F)c(F)c2)n[nH]1 ZINC000430988829 1118805883 /nfs/dbraw/zinc/80/58/83/1118805883.db2.gz KRLOGZXSODCKPP-UHFFFAOYSA-N 0 1 283.347 3.673 20 0 CHADMN C[C@@H]([N@@H+](C)Cc1cccc(Cl)c1[O-])C1(C)CC1 ZINC000180702533 1128802193 /nfs/dbraw/zinc/80/21/93/1128802193.db2.gz LJIBVOMNYKHCHG-SNVBAGLBSA-N 0 1 253.773 3.666 20 0 CHADMN CN(Cc1cnc[nH]1)C(=O)c1ccc(C2CCCCC2)cc1 ZINC000616923031 1128802548 /nfs/dbraw/zinc/80/25/48/1128802548.db2.gz RONFNMRNGWKVSH-UHFFFAOYSA-N 0 1 297.402 3.730 20 0 CHADMN FCC(CF)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000449380987 1118819847 /nfs/dbraw/zinc/81/98/47/1118819847.db2.gz PWVDZQOAWZURNH-CQSZACIVSA-N 0 1 269.310 3.659 20 0 CHADMN CC1(C)CCN(Cc2cccc(Br)c2)C1 ZINC000091439708 1118828271 /nfs/dbraw/zinc/82/82/71/1118828271.db2.gz JSLKMLQCTGMGOL-UHFFFAOYSA-N 0 1 268.198 3.681 20 0 CHADMN C[C@@H](NCc1ccncc1)c1ccc(Cl)c(F)c1 ZINC000213753211 1118832419 /nfs/dbraw/zinc/83/24/19/1118832419.db2.gz BAHKJPSUPLDAKQ-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN Cc1cccc(N2CCN([C@H](C)c3ccncc3)CC2)c1C ZINC000067716196 1118834795 /nfs/dbraw/zinc/83/47/95/1118834795.db2.gz BZCFCFGFYHSMOF-QGZVFWFLSA-N 0 1 295.430 3.582 20 0 CHADMN CC[C@@H]1COCCN1Cc1cc2ccccc2s1 ZINC000091980454 1118838621 /nfs/dbraw/zinc/83/86/21/1118838621.db2.gz UGPJEIQZMOHRJT-CYBMUJFWSA-N 0 1 261.390 3.512 20 0 CHADMN COc1ccc(CNc2cc[nH+]c3c([O-])cccc23)cc1F ZINC000684568063 1118849621 /nfs/dbraw/zinc/84/96/21/1118849621.db2.gz CRIMZBIXMZADDM-UHFFFAOYSA-N 0 1 298.317 3.700 20 0 CHADMN [O-]c1cccc2c(NCc3cccc(F)c3)cc[nH+]c12 ZINC000684569189 1118850892 /nfs/dbraw/zinc/85/08/92/1118850892.db2.gz ONTKQSGIYUAGDV-UHFFFAOYSA-N 0 1 268.291 3.692 20 0 CHADMN COc1cc(CN2CC(C3CCC3)C2)ccc1SC ZINC000348708799 1118857778 /nfs/dbraw/zinc/85/77/78/1118857778.db2.gz LHDCKCGJLWCIQJ-UHFFFAOYSA-N 0 1 277.433 3.649 20 0 CHADMN CC(C)CC[C@](C)(O)CNc1cc[nH+]c2c([O-])cccc12 ZINC000684573799 1118858144 /nfs/dbraw/zinc/85/81/44/1118858144.db2.gz CGRQDJQCHRSGQX-KRWDZBQOSA-N 0 1 288.391 3.540 20 0 CHADMN Cc1noc(C)c1C[C@H](C)Nc1cc[nH+]c2c([O-])cccc12 ZINC000684574320 1118858984 /nfs/dbraw/zinc/85/89/84/1118858984.db2.gz VMLLVMVKBZMUOE-JTQLQIEISA-N 0 1 297.358 3.588 20 0 CHADMN CCC(CC)CN(C)Cc1nccn1Cc1ccccc1 ZINC000093337276 1118860990 /nfs/dbraw/zinc/86/09/90/1118860990.db2.gz XIIYUXAIGMYMDA-UHFFFAOYSA-N 0 1 285.435 3.799 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccc(F)c(F)c1 ZINC000133293287 1118863091 /nfs/dbraw/zinc/86/30/91/1118863091.db2.gz QWGFYCXWGBUZEE-ZJUUUORDSA-N 0 1 280.293 3.911 20 0 CHADMN C[C@H](CCc1c(F)cccc1F)N[C@@H](C)c1ccon1 ZINC000510929609 1118864724 /nfs/dbraw/zinc/86/47/24/1118864724.db2.gz MVJVPKDXNLPIDE-MNOVXSKESA-N 0 1 280.318 3.625 20 0 CHADMN Fc1cc(F)c(CN[C@@H]2CC[C@@H]2C2CCC2)c(F)c1F ZINC000510965150 1118873065 /nfs/dbraw/zinc/87/30/65/1118873065.db2.gz YWZVUAOBURCDCU-NOZJJQNGSA-N 0 1 287.300 3.911 20 0 CHADMN COC(=O)CCC[C@@H]1CCC[C@H](N[C@H](C)C(C)(F)F)C1 ZINC000449411433 1118874705 /nfs/dbraw/zinc/87/47/05/1118874705.db2.gz BJLVPPIBFWDXEI-AGIUHOORSA-N 0 1 291.382 3.522 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cccc2c1OCO2 ZINC000535781933 1118884963 /nfs/dbraw/zinc/88/49/63/1118884963.db2.gz SFRXUQUQANBWLP-UHFFFAOYSA-N 0 1 287.334 3.577 20 0 CHADMN CCN(Cc1ccc(COC)o1)Cc1ccc(C)cc1 ZINC000535785822 1118886515 /nfs/dbraw/zinc/88/65/15/1118886515.db2.gz HRIJYFBIRFPTFK-UHFFFAOYSA-N 0 1 273.376 3.757 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000294059894 1118895008 /nfs/dbraw/zinc/89/50/08/1118895008.db2.gz JYWHVTCFSVIXGE-KCQAQPDRSA-N 0 1 255.365 3.548 20 0 CHADMN C[C@@H](c1ccco1)[N@H+](Cc1ccc2nc[nH]c2c1)C1CC1 ZINC000535824028 1118901556 /nfs/dbraw/zinc/90/15/56/1118901556.db2.gz WEDHKIVJWRIIIH-LBPRGKRZSA-N 0 1 281.359 3.882 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](Cc1ccc2nc[nH]c2c1)C1CC1 ZINC000535824028 1118901560 /nfs/dbraw/zinc/90/15/60/1118901560.db2.gz WEDHKIVJWRIIIH-LBPRGKRZSA-N 0 1 281.359 3.882 20 0 CHADMN CCN(Cc1nc(-c2ccccc2C)no1)CC1CCC1 ZINC000684624840 1118911542 /nfs/dbraw/zinc/91/15/42/1118911542.db2.gz YFMIYGVFTCOYKL-UHFFFAOYSA-N 0 1 285.391 3.667 20 0 CHADMN CSc1ccccc1CN1CCC(F)(F)CC1 ZINC000684625708 1118912170 /nfs/dbraw/zinc/91/21/70/1118912170.db2.gz FDYCFJBHUKXCAT-UHFFFAOYSA-N 0 1 257.349 3.640 20 0 CHADMN CCc1nc([C@H](C)Sc2ccc3ccccc3n2)n[nH]1 ZINC000657228116 1118925585 /nfs/dbraw/zinc/92/55/85/1118925585.db2.gz ROLUKUCWLGBTGG-JTQLQIEISA-N 0 1 284.388 3.769 20 0 CHADMN CCc1nc([C@@H](C)Sc2cccc(Cl)c2)n[nH]1 ZINC000657246193 1118933468 /nfs/dbraw/zinc/93/34/68/1118933468.db2.gz SSPWDZNQNLIUPJ-MRVPVSSYSA-N 0 1 267.785 3.874 20 0 CHADMN [O-]c1cccc2c(NC[C@H]3CCC(F)(F)C3)cc[nH+]c12 ZINC000684654530 1118934532 /nfs/dbraw/zinc/93/45/32/1118934532.db2.gz FSWHWDFRQVTWSE-JTQLQIEISA-N 0 1 278.302 3.788 20 0 CHADMN C[C@@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)CC[C@@H]1C(=O)[O-] ZINC000314479439 1118936043 /nfs/dbraw/zinc/93/60/43/1118936043.db2.gz FXFWUXHUMVTROE-LMPOIIKSSA-N 0 1 295.467 3.882 20 0 CHADMN CC[C@H](NCc1cnn(C)c1)c1ccc(Cl)cc1Cl ZINC000041159108 1118936542 /nfs/dbraw/zinc/93/65/42/1118936542.db2.gz DTNFZWGQLRGGSK-AWEZNQCLSA-N 0 1 298.217 3.968 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2nc(C(C)(C)C)co2)C1 ZINC000892069596 1118955873 /nfs/dbraw/zinc/95/58/73/1118955873.db2.gz NWMYVFPFLLURRN-RYUDHWBXSA-N 0 1 250.386 3.593 20 0 CHADMN CCC[C@@](C)(NCc1nccnc1C)c1ccccc1 ZINC000934180201 1118956357 /nfs/dbraw/zinc/95/63/57/1118956357.db2.gz NUHROOLKDMOBFY-QGZVFWFLSA-N 0 1 269.392 3.590 20 0 CHADMN CC[C@H]1C[C@H](NCc2ccc(Cl)cc2Cl)CO1 ZINC000657286387 1118956481 /nfs/dbraw/zinc/95/64/81/1118956481.db2.gz MRNVHRZTDQKWLK-RYUDHWBXSA-N 0 1 274.191 3.651 20 0 CHADMN Fc1ccc(CNCc2cccc(OC3CC3)c2F)cc1 ZINC000657286230 1118956992 /nfs/dbraw/zinc/95/69/92/1118956992.db2.gz WGAQPOBLIBHPRX-UHFFFAOYSA-N 0 1 289.325 3.796 20 0 CHADMN CCCC[C@@H](CCC)Nc1nc(Cl)nc2[nH]cnc21 ZINC000226137012 1118968202 /nfs/dbraw/zinc/96/82/02/1118968202.db2.gz JMMIDKBEAQFFSF-SECBINFHSA-N 0 1 281.791 3.777 20 0 CHADMN CCC1(O)CCN(Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000892106850 1118968318 /nfs/dbraw/zinc/96/83/18/1118968318.db2.gz YLIVKEZHBFMXTC-UHFFFAOYSA-N 0 1 287.325 3.500 20 0 CHADMN COc1cc([C@H](C)NCc2cc(F)cc(Cl)c2)ccn1 ZINC000342310516 1118972228 /nfs/dbraw/zinc/97/22/28/1118972228.db2.gz UVSBDKQSMWYVKK-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN Fc1ccccc1C1(NCc2n[nH]c3ccccc32)CCC1 ZINC000647237384 1118977495 /nfs/dbraw/zinc/97/74/95/1118977495.db2.gz WTMWMISUYVPZOR-UHFFFAOYSA-N 0 1 295.361 3.871 20 0 CHADMN Fc1ccccc1C1(NCc2[nH]nc3ccccc32)CCC1 ZINC000647237384 1118977497 /nfs/dbraw/zinc/97/74/97/1118977497.db2.gz WTMWMISUYVPZOR-UHFFFAOYSA-N 0 1 295.361 3.871 20 0 CHADMN C[C@H](OC(=O)c1cccc2[nH]ncc21)c1ccccc1F ZINC000779273993 1128813484 /nfs/dbraw/zinc/81/34/84/1128813484.db2.gz NUSOQDIQGUCDHU-JTQLQIEISA-N 0 1 284.290 3.620 20 0 CHADMN COc1ccc(CNC(C)(C)CF)cc1OCCC(C)C ZINC000472140740 1118994569 /nfs/dbraw/zinc/99/45/69/1118994569.db2.gz SRKSUEFSVYKJKE-UHFFFAOYSA-N 0 1 297.414 3.958 20 0 CHADMN CC[C@H]1CCC[C@@H]1NCc1nc(C(C)(C)C)co1 ZINC000724433416 1119002851 /nfs/dbraw/zinc/00/28/51/1119002851.db2.gz HYLWQTDEWCFZAO-RYUDHWBXSA-N 0 1 250.386 3.640 20 0 CHADMN Cn1ncc(C2CC2)c1CNCc1ccc(C(C)(C)C)cc1 ZINC000657336676 1119009535 /nfs/dbraw/zinc/00/95/35/1119009535.db2.gz XJJRRXZGYGBTPA-UHFFFAOYSA-N 0 1 297.446 3.885 20 0 CHADMN Cc1[nH]ncc1CNc1ccc(Oc2cccnc2)cc1 ZINC000342415424 1119010330 /nfs/dbraw/zinc/01/03/30/1119010330.db2.gz DTQDREUWJXELGD-UHFFFAOYSA-N 0 1 280.331 3.518 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CCC2CCC2)CCO1 ZINC001167550581 1119017671 /nfs/dbraw/zinc/01/76/71/1119017671.db2.gz XGERBZDEXROHES-KRWDZBQOSA-N 0 1 259.393 3.559 20 0 CHADMN CC(C)c1cc(CNCc2cc3ccncc3s2)on1 ZINC000657360908 1119026991 /nfs/dbraw/zinc/02/69/91/1119026991.db2.gz CICHGRPWBYYMIE-UHFFFAOYSA-N 0 1 287.388 3.698 20 0 CHADMN CC[C@H]1CCCC[C@H]1CN(C)Cc1nccn1C(F)F ZINC000628136910 1128816815 /nfs/dbraw/zinc/81/68/15/1128816815.db2.gz QOOYHZANGXHEJQ-STQMWFEESA-N 0 1 285.382 3.926 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCCCc2sccc21 ZINC000684787206 1119030621 /nfs/dbraw/zinc/03/06/21/1119030621.db2.gz PFLJQPLZJGJNKO-UHFFFAOYSA-N 0 1 291.347 3.576 20 0 CHADMN C[C@H](N(C)Cc1nc(C(C)(C)C)co1)C1(C)CC1 ZINC000892218425 1119030832 /nfs/dbraw/zinc/03/08/32/1119030832.db2.gz JCWFAXZUSZJCSZ-NSHDSACASA-N 0 1 250.386 3.593 20 0 CHADMN Cc1nc(CN[C@@H](CC(C)C)c2ccccc2)[nH]c1C ZINC000582192577 1119031849 /nfs/dbraw/zinc/03/18/49/1119031849.db2.gz NEXPNCCMECVDMF-INIZCTEOSA-N 0 1 271.408 3.904 20 0 CHADMN CC(C)n1ccnc1CN[C@@H](c1cccs1)C1CC1 ZINC000342472727 1119043823 /nfs/dbraw/zinc/04/38/23/1119043823.db2.gz QPYMVGAMOFCMNT-OAHLLOKOSA-N 0 1 275.421 3.766 20 0 CHADMN CCCn1nccc1CN[C@H](C)c1ccc(F)c(C)c1 ZINC000657391591 1119050391 /nfs/dbraw/zinc/05/03/91/1119050391.db2.gz UYANMEZFSLPCFK-CYBMUJFWSA-N 0 1 275.371 3.591 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H](C)c1cnn(C)c1 ZINC000044497858 1119056614 /nfs/dbraw/zinc/05/66/14/1119056614.db2.gz FFZHMWUPKQQLRU-WFASDCNBSA-N 0 1 287.407 3.686 20 0 CHADMN CO[C@@H](CNCc1ccc(C)o1)c1ccccc1Cl ZINC000124972258 1119056981 /nfs/dbraw/zinc/05/69/81/1119056981.db2.gz HWBZJIZVVNIRIV-HNNXBMFYSA-N 0 1 279.767 3.719 20 0 CHADMN Cc1cc([C@H](C)NCc2cnn(C(C)(C)C)c2)c(C)o1 ZINC000044729976 1119059988 /nfs/dbraw/zinc/05/99/88/1119059988.db2.gz LQIPQXBLKBCYKE-LBPRGKRZSA-N 0 1 275.396 3.699 20 0 CHADMN COC(=O)c1ccc(Cl)c(CN(C)[C@@H](C)C2(C)CC2)c1 ZINC000511110898 1119067491 /nfs/dbraw/zinc/06/74/91/1119067491.db2.gz OKADXHZHRJDVSI-NSHDSACASA-N 0 1 295.810 3.747 20 0 CHADMN Cn1cccc1CN(Cc1ccccc1F)CC1CC1 ZINC000668614582 1119070713 /nfs/dbraw/zinc/07/07/13/1119070713.db2.gz WKNZIJBQLJGCHX-UHFFFAOYSA-N 0 1 272.367 3.576 20 0 CHADMN Cc1c[nH]c(CN[C@@H]2c3ccccc3CC[C@@H]2C(C)C)n1 ZINC000657434763 1119087340 /nfs/dbraw/zinc/08/73/40/1119087340.db2.gz IMMXYWIXZVCJLO-QAPCUYQASA-N 0 1 283.419 3.767 20 0 CHADMN Cn1ncc(C2CC2)c1CNCc1ccc(C(F)F)cc1 ZINC000657434648 1119088075 /nfs/dbraw/zinc/08/80/75/1119088075.db2.gz AZSYSPAPEYRMMV-UHFFFAOYSA-N 0 1 291.345 3.525 20 0 CHADMN CCCn1nccc1CNCc1c(C)oc2ccccc21 ZINC000657437829 1119090644 /nfs/dbraw/zinc/09/06/44/1119090644.db2.gz LKQLSYSIPGQNAP-UHFFFAOYSA-N 0 1 283.375 3.638 20 0 CHADMN CSc1ccccc1C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000511135936 1119095016 /nfs/dbraw/zinc/09/50/16/1119095016.db2.gz RMZJTPXSVQPTHI-HNNXBMFYSA-N 0 1 279.449 3.655 20 0 CHADMN CSc1ccccc1CN1CCOC[C@@H]1CC(C)C ZINC000511135936 1119095019 /nfs/dbraw/zinc/09/50/19/1119095019.db2.gz RMZJTPXSVQPTHI-HNNXBMFYSA-N 0 1 279.449 3.655 20 0 CHADMN COc1cnccc1[C@H](C)NCc1cc2c(cccc2C)[nH]1 ZINC000657443106 1119095182 /nfs/dbraw/zinc/09/51/82/1119095182.db2.gz YDXWTNJRAJOFAJ-ZDUSSCGKSA-N 0 1 295.386 3.731 20 0 CHADMN CCC(CC)CN(CC)Cc1ncc(COC)s1 ZINC000342651614 1119113477 /nfs/dbraw/zinc/11/34/77/1119113477.db2.gz CRFQAUCNEHRIAV-UHFFFAOYSA-N 0 1 270.442 3.548 20 0 CHADMN CC[C@H]1CCC[C@H](NCc2nccc(C(F)F)n2)CC1 ZINC000657466607 1119113945 /nfs/dbraw/zinc/11/39/45/1119113945.db2.gz KFMJOFSPDITQFO-RYUDHWBXSA-N 0 1 283.366 3.863 20 0 CHADMN Cc1nc2ccc(COc3c(F)cccc3F)cc2[nH]1 ZINC000342653908 1119114459 /nfs/dbraw/zinc/11/44/59/1119114459.db2.gz CTTOUEYHKIFQPR-UHFFFAOYSA-N 0 1 274.270 3.729 20 0 CHADMN Cc1ccoc1CNCc1cc2ccc(C)cc2[nH]1 ZINC000657472743 1119117200 /nfs/dbraw/zinc/11/72/00/1119117200.db2.gz YXIJTQAETJGRSJ-UHFFFAOYSA-N 0 1 254.333 3.668 20 0 CHADMN COc1ccc([C@@H](C)CN(C)Cc2csc(C)n2)cc1 ZINC000342676870 1119122098 /nfs/dbraw/zinc/12/20/98/1119122098.db2.gz DABVNBBFTWNJEO-LBPRGKRZSA-N 0 1 290.432 3.696 20 0 CHADMN c1coc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCOC2)c1 ZINC000342679804 1119122559 /nfs/dbraw/zinc/12/25/59/1119122559.db2.gz ZKPSBCYWFSMEMC-AWEZNQCLSA-N 0 1 291.416 3.770 20 0 CHADMN Fc1ccc(CNc2ccc3c(n2)CCC3)c(F)c1F ZINC000657485559 1119125668 /nfs/dbraw/zinc/12/56/68/1119125668.db2.gz NAFLIZHHVIPAAE-UHFFFAOYSA-N 0 1 278.277 3.600 20 0 CHADMN Cc1ccc(CN(C)CCCC(=O)c2ccc(F)cc2)o1 ZINC000049824764 1119126451 /nfs/dbraw/zinc/12/64/51/1119126451.db2.gz FQOJKQGBTCTSLL-UHFFFAOYSA-N 0 1 289.350 3.822 20 0 CHADMN CCO[C@@H]1C[C@H](N(C)Cc2cnc(C)o2)C12CCCCC2 ZINC000628183458 1128823347 /nfs/dbraw/zinc/82/33/47/1128823347.db2.gz BZNCDXDSLHDOLN-JKSUJKDBSA-N 0 1 292.423 3.543 20 0 CHADMN Fc1ccc(OC(F)F)c(CN[C@@H]2C[C@H]2c2ccco2)c1 ZINC000657496872 1119131511 /nfs/dbraw/zinc/13/15/11/1119131511.db2.gz SOFOSYCLNJXCQK-VXGBXAGGSA-N 0 1 297.276 3.666 20 0 CHADMN Cc1cccc2[nH]c(CN[C@@H]3COCc4ccccc43)cc21 ZINC000657495679 1119131721 /nfs/dbraw/zinc/13/17/21/1119131721.db2.gz YYRIERWZEPDDKK-LJQANCHMSA-N 0 1 292.382 3.837 20 0 CHADMN Fc1cccc(C2(NCc3ccnn3CC3CC3)CCC2)c1 ZINC000657498639 1119132972 /nfs/dbraw/zinc/13/29/72/1119132972.db2.gz KFUXGJJSAPXXAP-UHFFFAOYSA-N 0 1 299.393 3.601 20 0 CHADMN CC[C@@H](C)N(CC)Cc1nc(-c2ccc(C)cc2)no1 ZINC000661107983 1119135851 /nfs/dbraw/zinc/13/58/51/1119135851.db2.gz VUHCRGWFXDKMOC-CYBMUJFWSA-N 0 1 273.380 3.665 20 0 CHADMN CC(C)CCCCNCc1ncc(Br)s1 ZINC000308850876 1119136010 /nfs/dbraw/zinc/13/60/10/1119136010.db2.gz OHBMXCSDEAQHPO-UHFFFAOYSA-N 0 1 291.258 3.822 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2cnc(C)o2)o1 ZINC000628188512 1128824030 /nfs/dbraw/zinc/82/40/30/1128824030.db2.gz CPKRAZFDNTXXTH-ABAIWWIYSA-N 0 1 274.364 3.858 20 0 CHADMN CC1(C)CCC[N@@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000342718165 1119138874 /nfs/dbraw/zinc/13/88/74/1119138874.db2.gz HVMKDKAYZKBMIA-UHFFFAOYSA-N 0 1 283.419 3.553 20 0 CHADMN c1ccc2c(c1)OCCC[C@@H]2N[C@@H]1CCCc2cccnc21 ZINC000684955533 1119140490 /nfs/dbraw/zinc/14/04/90/1119140490.db2.gz PIPLDJGDRNZZCF-DLBZAZTESA-N 0 1 294.398 3.963 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@H]1CCCc2cccnc21 ZINC000684957239 1119141352 /nfs/dbraw/zinc/14/13/52/1119141352.db2.gz HTFBNVYCIGHQBB-SJORKVTESA-N 0 1 294.398 3.745 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@H]1CCCc2cccnc21 ZINC000684957238 1119141603 /nfs/dbraw/zinc/14/16/03/1119141603.db2.gz HTFBNVYCIGHQBB-IRXDYDNUSA-N 0 1 294.398 3.745 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H]1CCCc2cccnc21 ZINC000684958728 1119143094 /nfs/dbraw/zinc/14/30/94/1119143094.db2.gz UUIDVXRSYPKRDB-XJKSGUPXSA-N 0 1 267.376 3.513 20 0 CHADMN Fc1ccc([C@H]2CCC[N@H+]2Cc2cccc3nccn32)cc1 ZINC000342724731 1119143321 /nfs/dbraw/zinc/14/33/21/1119143321.db2.gz PJFMWGIGRDTKNU-QGZVFWFLSA-N 0 1 295.361 3.811 20 0 CHADMN Fc1ccc([C@H]2CCCN2Cc2cccc3nccn32)cc1 ZINC000342724731 1119143323 /nfs/dbraw/zinc/14/33/23/1119143323.db2.gz PJFMWGIGRDTKNU-QGZVFWFLSA-N 0 1 295.361 3.811 20 0 CHADMN CCc1cnc(CN[C@H]2C[C@@H](OCC(C)C)C2(C)C)s1 ZINC000224697352 1119144178 /nfs/dbraw/zinc/14/41/78/1119144178.db2.gz SNRZRYYPCIRGHO-UONOGXRCSA-N 0 1 296.480 3.635 20 0 CHADMN CO[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[C@@H]1C ZINC000342729424 1119145883 /nfs/dbraw/zinc/14/58/83/1119145883.db2.gz FAVLXUHXLKDNLE-FZMZJTMJSA-N 0 1 287.325 3.562 20 0 CHADMN CC1(C)CCCN(Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000342738095 1119149808 /nfs/dbraw/zinc/14/98/08/1119149808.db2.gz TUBUFNNMPUCYQD-UHFFFAOYSA-N 0 1 287.382 3.633 20 0 CHADMN COCCCCCN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000116877180 1119156092 /nfs/dbraw/zinc/15/60/92/1119156092.db2.gz NCFLHZSPZQBVAO-IBGZPJMESA-N 0 1 298.430 3.710 20 0 CHADMN C[C@H](CC(=O)NC[C@@H](c1ccsc1)N(C)C)C(C)(C)C ZINC000342774640 1119161821 /nfs/dbraw/zinc/16/18/21/1119161821.db2.gz DTIMGFAAWMCXLD-OCCSQVGLSA-N 0 1 296.480 3.539 20 0 CHADMN CCN(CCc1ccccc1)Cc1ccn(C(C)C)n1 ZINC000172012230 1119162755 /nfs/dbraw/zinc/16/27/55/1119162755.db2.gz QXISRWQDPFWJFL-UHFFFAOYSA-N 0 1 271.408 3.529 20 0 CHADMN c1nc(CN(C2CC2)C2CCCCC2)n(-c2ccccc2)n1 ZINC000685000853 1119163525 /nfs/dbraw/zinc/16/35/25/1119163525.db2.gz TZEWKZNHHCKRQU-UHFFFAOYSA-N 0 1 296.418 3.564 20 0 CHADMN CC(C)(C)c1ncc(CN(Cc2ccccc2)C2CC2)cn1 ZINC000342788143 1119167602 /nfs/dbraw/zinc/16/76/02/1119167602.db2.gz VHOUYCQJFLCVHQ-UHFFFAOYSA-N 0 1 295.430 3.939 20 0 CHADMN CCO[C@H](C)c1nc(CN2C[C@@H](C)C[C@H]2CC)cs1 ZINC000075022717 1119170453 /nfs/dbraw/zinc/17/04/53/1119170453.db2.gz RRWYVGWIYRULQK-OUCADQQQSA-N 0 1 282.453 3.861 20 0 CHADMN CCC[C@@H](C)N(C)CC(=O)Nc1sc(C)c(C)c1C ZINC000075622814 1119178118 /nfs/dbraw/zinc/17/81/18/1119178118.db2.gz YGXXAWRIWMNDMD-SNVBAGLBSA-N 0 1 282.453 3.732 20 0 CHADMN COCc1nc(CN(C2CC2)C2CCC(C)CC2)cs1 ZINC000075641495 1119179067 /nfs/dbraw/zinc/17/90/67/1119179067.db2.gz IRXSIUUCEVAVKT-UHFFFAOYSA-N 0 1 294.464 3.833 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)Cc1nc(C)no1 ZINC000075885769 1119180079 /nfs/dbraw/zinc/18/00/79/1119180079.db2.gz RCMZUISKQYTIOX-MRXNPFEDSA-N 0 1 287.407 3.530 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N(CC)Cc1nc(C)no1 ZINC000075885769 1119180081 /nfs/dbraw/zinc/18/00/81/1119180081.db2.gz RCMZUISKQYTIOX-MRXNPFEDSA-N 0 1 287.407 3.530 20 0 CHADMN C[C@H]1CN(Cc2cc(-c3ccccc3)no2)C[C@H](C)S1 ZINC000075894190 1119180638 /nfs/dbraw/zinc/18/06/38/1119180638.db2.gz QOXDEDBMOVGULL-STQMWFEESA-N 0 1 288.416 3.667 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2ncc(CC)o2)C1 ZINC000076145965 1119183529 /nfs/dbraw/zinc/18/35/29/1119183529.db2.gz TXKLCSUHUGBPPI-HNNXBMFYSA-N 0 1 250.386 3.639 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(C)o2)C2CCCC2)n(C)n1 ZINC000342809581 1119184943 /nfs/dbraw/zinc/18/49/43/1119184943.db2.gz LIJGNSXSZJUCHF-KRWDZBQOSA-N 0 1 287.407 3.651 20 0 CHADMN CC(C)c1nnc(CN2CC[C@H](C)[C@H]3CCCC[C@H]32)o1 ZINC000588935826 1119189505 /nfs/dbraw/zinc/18/95/05/1119189505.db2.gz ZFWFCRIIZWVIRC-BFHYXJOUSA-N 0 1 277.412 3.594 20 0 CHADMN CCc1ccc(CNCc2cccnc2N2CCCC2)cc1 ZINC000657570962 1119189960 /nfs/dbraw/zinc/18/99/60/1119189960.db2.gz LWODNNQQSFFYFT-UHFFFAOYSA-N 0 1 295.430 3.534 20 0 CHADMN Fc1ccc([C@H]2CCC[N@H+]2CCC(F)(F)F)cc1 ZINC000077248518 1119190727 /nfs/dbraw/zinc/19/07/27/1119190727.db2.gz KHYUANGZIDYNNM-GFCCVEGCSA-N 0 1 261.262 3.915 20 0 CHADMN Fc1ccc([C@H]2CCCN2CCC(F)(F)F)cc1 ZINC000077248518 1119190731 /nfs/dbraw/zinc/19/07/31/1119190731.db2.gz KHYUANGZIDYNNM-GFCCVEGCSA-N 0 1 261.262 3.915 20 0 CHADMN OCCC[C@@H](NCc1ccc(Cl)o1)c1ccccc1 ZINC000077467110 1119193137 /nfs/dbraw/zinc/19/31/37/1119193137.db2.gz DCVNSFJFWGCIRK-CQSZACIVSA-N 0 1 279.767 3.536 20 0 CHADMN FC(F)(F)[C@H](CNCc1cccs1)OC1CCCC1 ZINC000657586558 1119200025 /nfs/dbraw/zinc/20/00/25/1119200025.db2.gz KKLGCQSTLQXUKY-LBPRGKRZSA-N 0 1 293.354 3.728 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCC[C@H]1c1cccs1 ZINC000118952604 1119201110 /nfs/dbraw/zinc/20/11/10/1119201110.db2.gz SILDQFADCAAMCO-NSHDSACASA-N 0 1 291.347 3.570 20 0 CHADMN CCc1cccc(CN[C@@H](COC)c2cccc(OC)c2)c1 ZINC000657613582 1119209015 /nfs/dbraw/zinc/20/90/15/1119209015.db2.gz WPZFGAYSQRMOGD-IBGZPJMESA-N 0 1 299.414 3.735 20 0 CHADMN CC(C)[C@@H](O)C1(CNc2ccnc3cc(F)ccc32)CC1 ZINC000342850848 1119209252 /nfs/dbraw/zinc/20/92/52/1119209252.db2.gz PLHBOOKCBLQDQN-MRXNPFEDSA-N 0 1 288.366 3.583 20 0 CHADMN CC(C)[C@H](NCc1cnc(C2CC2)nc1)c1ccccc1F ZINC000657615283 1119210115 /nfs/dbraw/zinc/21/01/15/1119210115.db2.gz ZNOSUAZCTNYINA-KRWDZBQOSA-N 0 1 299.393 3.980 20 0 CHADMN Cc1nc(CN2CCC[C@@H](Cc3ccc(C)cc3)C2)[nH]c1C ZINC000628160487 1119218791 /nfs/dbraw/zinc/21/87/91/1119218791.db2.gz WNCVLHDZTJBUMM-SFHVURJKSA-N 0 1 297.446 3.790 20 0 CHADMN CCCN(CCC)CC(=O)c1cc(C)n(CCC)c1C ZINC000342870487 1119219729 /nfs/dbraw/zinc/21/97/29/1119219729.db2.gz MZURBYDDOWOYHQ-UHFFFAOYSA-N 0 1 278.440 3.820 20 0 CHADMN Cc1cc(CN2CCOCC23CCCC3)c(C)s1 ZINC000342874170 1119222829 /nfs/dbraw/zinc/22/28/29/1119222829.db2.gz MVKFWRXISHWYQJ-UHFFFAOYSA-N 0 1 265.422 3.510 20 0 CHADMN C[C@]1(NCc2cnc(C3CC3)o2)CCCc2ccccc21 ZINC000628215827 1128830195 /nfs/dbraw/zinc/83/01/95/1128830195.db2.gz VAHUJVJLSDYYQV-SFHVURJKSA-N 0 1 282.387 3.893 20 0 CHADMN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCc1cnc(C)o1 ZINC000628217565 1128830477 /nfs/dbraw/zinc/83/04/77/1128830477.db2.gz CBNHGNYGNXQZNM-MEBBXXQBSA-N 0 1 294.782 3.502 20 0 CHADMN C[C@H]1CCC[C@H](CNCc2c(F)cccc2Cl)O1 ZINC000657662373 1119229361 /nfs/dbraw/zinc/22/93/61/1119229361.db2.gz BDPZKXPLOYCBKT-WDEREUQCSA-N 0 1 271.763 3.526 20 0 CHADMN Cc1n[nH]cc1CN1CCC[C@@H]1c1cccc(Cl)c1 ZINC000153440177 1119230129 /nfs/dbraw/zinc/23/01/29/1119230129.db2.gz SOYUYHVXTGBJNZ-OAHLLOKOSA-N 0 1 275.783 3.709 20 0 CHADMN Fc1cc(F)cc(CN[C@@H](c2ccncc2)C2CC2)c1 ZINC000934696874 1119230306 /nfs/dbraw/zinc/23/03/06/1119230306.db2.gz HRLOCYZEPHGLFL-MRXNPFEDSA-N 0 1 274.314 3.601 20 0 CHADMN Cc1nc2ccc(Nc3cc(CC(C)C)no3)cc2[nH]1 ZINC001213070520 1128836662 /nfs/dbraw/zinc/83/66/62/1128836662.db2.gz UQQXIYSTOBDGSG-UHFFFAOYSA-N 0 1 270.336 3.801 20 0 CHADMN Cc1ccc(F)c(CN[C@@H]2CCc3ccc(O)cc32)c1 ZINC000657692851 1119249841 /nfs/dbraw/zinc/24/98/41/1119249841.db2.gz FWRFVLHVDMTHEC-QGZVFWFLSA-N 0 1 271.335 3.617 20 0 CHADMN CCc1ccc([C@H](CO)N[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000090844483 1119251670 /nfs/dbraw/zinc/25/16/70/1119251670.db2.gz IFUDNJLMCVQYLH-MOPGFXCFSA-N 0 1 299.389 3.699 20 0 CHADMN CC(C)COc1cccc(CN(C)Cc2ccc[nH]2)c1 ZINC000342925756 1119252824 /nfs/dbraw/zinc/25/28/24/1119252824.db2.gz KBBHYJNDXTXCQS-UHFFFAOYSA-N 0 1 272.392 3.682 20 0 CHADMN CC(C)CC1CCN([C@H](C)C(=O)Nc2ccccc2)CC1 ZINC001167636968 1119254080 /nfs/dbraw/zinc/25/40/80/1119254080.db2.gz ZZLRFBSGXSCHOW-OAHLLOKOSA-N 0 1 288.435 3.772 20 0 CHADMN C[C@H](O)C[C@H]1CCCN1Cc1csc(C(F)(F)F)c1 ZINC000628178333 1119254312 /nfs/dbraw/zinc/25/43/12/1119254312.db2.gz MIIGYBZYOLEGHT-GXSJLCMTSA-N 0 1 293.354 3.502 20 0 CHADMN Cc1c[nH]c(CN(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000628185121 1119267863 /nfs/dbraw/zinc/26/78/63/1119267863.db2.gz LXKSOVULAWXUJA-OLZOCXBDSA-N 0 1 291.826 3.996 20 0 CHADMN CCC1(C)CCC(NCc2nccc(C(F)F)n2)CC1 ZINC000348753759 1119279382 /nfs/dbraw/zinc/27/93/82/1119279382.db2.gz JCNLZFFAXYYZCZ-UHFFFAOYSA-N 0 1 283.366 3.863 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2ccon2)c1C ZINC000122291278 1119278520 /nfs/dbraw/zinc/27/85/20/1119278520.db2.gz GCLYAJABXZQGCH-INIZCTEOSA-N 0 1 256.349 3.629 20 0 CHADMN CCN(c1ccc(NC2CCC(O)CC2)cc1)C(C)C ZINC000286166149 1119281875 /nfs/dbraw/zinc/28/18/75/1119281875.db2.gz PNYGWSYUMUHGLL-UHFFFAOYSA-N 0 1 276.424 3.637 20 0 CHADMN CCSCC[N@@H+](C)Cc1cc(Br)cs1 ZINC000122806799 1119286783 /nfs/dbraw/zinc/28/67/83/1119286783.db2.gz CCMQDFVDTBCYNK-UHFFFAOYSA-N 0 1 294.283 3.696 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@H](C)N1CC[C@H](C)[C@H](C)C1 ZINC000123047608 1119290125 /nfs/dbraw/zinc/29/01/25/1119290125.db2.gz VJJYFLBXBJNCCH-MAZHCROVSA-N 0 1 288.435 3.608 20 0 CHADMN C[C@H](CCc1ccsc1)N[C@H]1CCCC1(F)F ZINC000672622353 1119295573 /nfs/dbraw/zinc/29/55/73/1119295573.db2.gz YHRVGUIBDTXRSF-PWSUYJOCSA-N 0 1 259.365 3.847 20 0 CHADMN CCOc1cccc(CN[C@H](c2cccs2)C2CC2)n1 ZINC000343069605 1119297920 /nfs/dbraw/zinc/29/79/20/1119297920.db2.gz CMHDDNQAWHJQFJ-INIZCTEOSA-N 0 1 288.416 3.783 20 0 CHADMN CCCc1nc(C)c(CN2CCC[C@@H]2c2ccncc2)o1 ZINC000428289973 1119308408 /nfs/dbraw/zinc/30/84/08/1119308408.db2.gz VUKJHENLSVNKMJ-OAHLLOKOSA-N 0 1 285.391 3.668 20 0 CHADMN CCCOc1ccc(C(C)(C)NCc2cnc(C)o2)cc1 ZINC000628257027 1128837153 /nfs/dbraw/zinc/83/71/53/1128837153.db2.gz WOJUKRCFWAAIMW-UHFFFAOYSA-N 0 1 288.391 3.797 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3cccc(C)c3F)[nH]n2)o1 ZINC000343110601 1119314973 /nfs/dbraw/zinc/31/49/73/1119314973.db2.gz YFGPYIMZQZPXID-UHFFFAOYSA-N 0 1 299.305 3.678 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@H](C)c2c(C)noc2C)s1 ZINC000092327680 1119328229 /nfs/dbraw/zinc/32/82/29/1119328229.db2.gz QIKRVJMQTLNLJN-APPZFPTMSA-N 0 1 279.409 3.777 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@H](C)c1ccsc1 ZINC000092328346 1119328828 /nfs/dbraw/zinc/32/88/28/1119328828.db2.gz IJMPKHXBKDPCJS-BDAKNGLRSA-N 0 1 250.367 3.765 20 0 CHADMN CC(C)[N@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)CC1CC1 ZINC000583268184 1119330392 /nfs/dbraw/zinc/33/03/92/1119330392.db2.gz LUHXTTLYSIWSGM-UHFFFAOYSA-N 0 1 281.783 3.659 20 0 CHADMN F[C@@]1(c2ccccc2)CC[N@@H+](CCCC2CCOCC2)C1 ZINC000583275453 1119331819 /nfs/dbraw/zinc/33/18/19/1119331819.db2.gz GKNBOWDIHRHGPD-SFHVURJKSA-N 0 1 291.410 3.764 20 0 CHADMN CCc1nn(C)cc1CN[C@H](C)c1oc2ccccc2c1C ZINC000092371338 1119332380 /nfs/dbraw/zinc/33/23/80/1119332380.db2.gz DTAJRACGVHEKCU-CYBMUJFWSA-N 0 1 297.402 3.888 20 0 CHADMN COc1ccc2c(c1)C1(CC1)CN(C[C@@H](C)C(F)(F)F)C2 ZINC000583291727 1119335873 /nfs/dbraw/zinc/33/58/73/1119335873.db2.gz CMQFVYLQRBKFAY-LLVKDONJSA-N 0 1 299.336 3.741 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cccnc21)c1ccc(F)cc1 ZINC000226800454 1119337341 /nfs/dbraw/zinc/33/73/41/1119337341.db2.gz NJYBFMTWVHIJPS-IAQYHMDHSA-N 0 1 256.324 3.559 20 0 CHADMN Cc1cc(C)cc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000050925865 1119338974 /nfs/dbraw/zinc/33/89/74/1119338974.db2.gz YCNOACMHTGRPJE-INIZCTEOSA-N 0 1 275.392 3.523 20 0 CHADMN Cc1cc(C)c(NC(=O)CN(C)CCCC(C)C)c(C)c1 ZINC000426476611 1119353099 /nfs/dbraw/zinc/35/30/99/1119353099.db2.gz UODQVQWHTIADAW-UHFFFAOYSA-N 0 1 290.451 3.918 20 0 CHADMN CCCCCC[C@@H](CC)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161692909 1119353416 /nfs/dbraw/zinc/35/34/16/1119353416.db2.gz PWBDEQPXADDBCS-UKRRQHHQSA-N 0 1 293.455 3.762 20 0 CHADMN COC(=O)c1cccc(CN2CCCC[C@H]2C)c1Cl ZINC000362976227 1119356802 /nfs/dbraw/zinc/35/68/02/1119356802.db2.gz JHZHWYNHUFJJJL-LLVKDONJSA-N 0 1 281.783 3.501 20 0 CHADMN C[C@@H](c1nc([C@H]2CCC(F)(F)C2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000343242073 1119362509 /nfs/dbraw/zinc/36/25/09/1119362509.db2.gz JTCBNMAVBRFGEY-USZNOCQGSA-N 0 1 299.365 3.906 20 0 CHADMN C[C@@H](c1nc([C@H]2CCC(F)(F)C2)no1)N1[C@H](C)CC[C@@H]1C ZINC000343242073 1119362513 /nfs/dbraw/zinc/36/25/13/1119362513.db2.gz JTCBNMAVBRFGEY-USZNOCQGSA-N 0 1 299.365 3.906 20 0 CHADMN c1cc([C@@H]2CCCCN2Cc2ccc3[nH]ccc3c2)n[nH]1 ZINC000628271573 1128840995 /nfs/dbraw/zinc/84/09/95/1128840995.db2.gz HUCLUIOWRDBQOO-KRWDZBQOSA-N 0 1 280.375 3.618 20 0 CHADMN CCC(CC)CN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000126787562 1119368906 /nfs/dbraw/zinc/36/89/06/1119368906.db2.gz WBAWEUCZWLZJDN-OAHLLOKOSA-N 0 1 257.381 3.525 20 0 CHADMN c1nc2ccccn2c1C[N@@H+](Cc1ccccc1)C1CCC1 ZINC001203159246 1119374679 /nfs/dbraw/zinc/37/46/79/1119374679.db2.gz NADMDVIJJZSTND-UHFFFAOYSA-N 0 1 291.398 3.889 20 0 CHADMN Cn1ccnc1[C@H](NC1CC2(CCC2)C1)c1ccc(F)cc1 ZINC000448079047 1119379892 /nfs/dbraw/zinc/37/98/92/1119379892.db2.gz YNKJJWNJDVIXJK-MRXNPFEDSA-N 0 1 299.393 3.571 20 0 CHADMN Cc1ccc([C@@H](N[C@H](C)CC(C)(C)O)c2ccccn2)cc1 ZINC000926513455 1119383009 /nfs/dbraw/zinc/38/30/09/1119383009.db2.gz VQAPYFPYHCVNBU-CRAIPNDOSA-N 0 1 298.430 3.619 20 0 CHADMN CC(C)n1cncc1CN1CC[C@@H](C)[C@H]2CCCC[C@@H]21 ZINC000583689607 1119395486 /nfs/dbraw/zinc/39/54/86/1119395486.db2.gz CFGOCEPLDDYTMB-OIISXLGYSA-N 0 1 275.440 3.865 20 0 CHADMN Cc1nc(CN2CC3(CCCCC3)[C@@H]2C(C)C)[nH]c1C ZINC000628309044 1128843900 /nfs/dbraw/zinc/84/39/00/1128843900.db2.gz YDEFKNBWUGHYAC-INIZCTEOSA-N 0 1 275.440 3.817 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1nc(-c2ccccc2)no1 ZINC000661236189 1119407870 /nfs/dbraw/zinc/40/78/70/1119407870.db2.gz SUQGGGPZJFIXNT-GFCCVEGCSA-N 0 1 273.380 3.651 20 0 CHADMN CCn1nc(C)c(CNCc2cc3cc(C)ccc3o2)c1C ZINC000583770534 1119408963 /nfs/dbraw/zinc/40/89/63/1119408963.db2.gz HRUIQAXSWQMURJ-UHFFFAOYSA-N 0 1 297.402 3.864 20 0 CHADMN FCC1(NCc2cc(Cl)cc3cccnc32)CCC1 ZINC000564727806 1119411783 /nfs/dbraw/zinc/41/17/83/1119411783.db2.gz VYPCTKWKJFEVOB-UHFFFAOYSA-N 0 1 278.758 3.870 20 0 CHADMN CS[C@@H]1CCCCN(Cc2nc(C3CC3)cs2)C1 ZINC000343424300 1119416187 /nfs/dbraw/zinc/41/61/87/1119416187.db2.gz XQPZIVWSQNHMAL-GFCCVEGCSA-N 0 1 282.478 3.738 20 0 CHADMN COCc1ccc(CN[C@H]2CCCc3c(C)cccc32)o1 ZINC000657796642 1119416213 /nfs/dbraw/zinc/41/62/13/1119416213.db2.gz GYOPVIKGEXDWHL-SFHVURJKSA-N 0 1 285.387 3.902 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000583817931 1119417913 /nfs/dbraw/zinc/41/79/13/1119417913.db2.gz HSMVGYWZYYMLIN-MLGOLLRUSA-N 0 1 293.382 3.925 20 0 CHADMN CN(CC[C@H]1CCCO1)Cc1cccc(Cl)c1Cl ZINC000343441996 1119421884 /nfs/dbraw/zinc/42/18/84/1119421884.db2.gz MJEYDIGIEGUJRL-GFCCVEGCSA-N 0 1 288.218 3.994 20 0 CHADMN Cn1cccc1CN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000343440100 1119421949 /nfs/dbraw/zinc/42/19/49/1119421949.db2.gz FYIJEMWSVUSXAQ-AWEZNQCLSA-N 0 1 282.309 3.808 20 0 CHADMN C[C@@H](c1ccco1)N(C)Cc1ccc2[nH]ccc2c1 ZINC000628132321 1119422778 /nfs/dbraw/zinc/42/27/78/1119422778.db2.gz CCKXZYHPFNFJOG-LBPRGKRZSA-N 0 1 254.333 3.954 20 0 CHADMN Fc1cncc([C@H](NCc2ccc(F)c(F)c2)C2CC2)c1 ZINC000343449399 1119423858 /nfs/dbraw/zinc/42/38/58/1119423858.db2.gz WHKQGHAYNARBOY-MRXNPFEDSA-N 0 1 292.304 3.740 20 0 CHADMN CC[C@H](Cc1ccccc1)[N@@H+](CC)Cc1snnc1C ZINC000583874615 1119427096 /nfs/dbraw/zinc/42/70/96/1119427096.db2.gz AIJCTTAXPMYQGF-OAHLLOKOSA-N 0 1 289.448 3.690 20 0 CHADMN Cc1ccc(-c2cc(-c3nc([C@@H]4C[C@H]4C)no3)[nH]n2)cc1C ZINC000583897999 1119431328 /nfs/dbraw/zinc/43/13/28/1119431328.db2.gz WTTNFFVXGLWJIV-DGCLKSJQSA-N 0 1 294.358 3.867 20 0 CHADMN CC1(C)CCN(Cc2nc(C3CC3)cs2)CC1 ZINC000343518183 1119439908 /nfs/dbraw/zinc/43/99/08/1119439908.db2.gz YLHCBIMWXWXPCR-UHFFFAOYSA-N 0 1 250.411 3.643 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1nc(C2CC2)cs1 ZINC000343516344 1119440421 /nfs/dbraw/zinc/44/04/21/1119440421.db2.gz VKISRRVHLHNFOU-PHIMTYICSA-N 0 1 250.411 3.783 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2nc(C3CC3)cs2)C1 ZINC000343534229 1119446179 /nfs/dbraw/zinc/44/61/79/1119446179.db2.gz IJADXHVIFIYRHI-GHMZBOCLSA-N 0 1 250.411 3.641 20 0 CHADMN C[C@@H](O)[C@H](NCc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000657818572 1119457746 /nfs/dbraw/zinc/45/77/46/1119457746.db2.gz RCZZWESNFFGVCJ-BZNIZROVSA-N 0 1 293.769 3.691 20 0 CHADMN CCS[C@@H](C)c1noc(CN[C@H](CC)C(C)(C)C)n1 ZINC000343588054 1119464670 /nfs/dbraw/zinc/46/46/70/1119464670.db2.gz HLEZBQNXIOOBLR-WDEREUQCSA-N 0 1 285.457 3.798 20 0 CHADMN COc1cncc(C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)c1 ZINC000343596453 1119466956 /nfs/dbraw/zinc/46/69/56/1119466956.db2.gz CYMPRQIROVVIFE-GOSISDBHSA-N 0 1 282.387 3.736 20 0 CHADMN COc1cncc(CN2CCC[C@@H]2c2ccc(C)cc2)c1 ZINC000343596453 1119466957 /nfs/dbraw/zinc/46/69/57/1119466957.db2.gz CYMPRQIROVVIFE-GOSISDBHSA-N 0 1 282.387 3.736 20 0 CHADMN Cc1nc[nH]c1C(=O)Nc1ccccc1CCC(C)C ZINC000635449957 1119470258 /nfs/dbraw/zinc/47/02/58/1119470258.db2.gz MGRKTJVRRSPVML-UHFFFAOYSA-N 0 1 271.364 3.559 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1ccc(Br)cn1 ZINC000168708078 1119473021 /nfs/dbraw/zinc/47/30/21/1119473021.db2.gz YHGYFYFTNOHZJE-CQSZACIVSA-N 0 1 297.240 3.999 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ncccc2[O-])cc1C ZINC000584080322 1119473603 /nfs/dbraw/zinc/47/36/03/1119473603.db2.gz WYZRSEXZVKLBTG-KRWDZBQOSA-N 0 1 282.387 3.741 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2ncccc2[O-])cc1C ZINC000584080322 1119473606 /nfs/dbraw/zinc/47/36/06/1119473606.db2.gz WYZRSEXZVKLBTG-KRWDZBQOSA-N 0 1 282.387 3.741 20 0 CHADMN CC[C@H](OCCNCc1oc(C)nc1C)c1ccccc1 ZINC000628324455 1128848518 /nfs/dbraw/zinc/84/85/18/1128848518.db2.gz UNSDTYWAAJNKEY-INIZCTEOSA-N 0 1 288.391 3.549 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnn(C)c1C)c1ccccc1F ZINC000168755653 1119475055 /nfs/dbraw/zinc/47/50/55/1119475055.db2.gz DAYYZPALCKFVEG-ZBEGNZNMSA-N 0 1 275.371 3.670 20 0 CHADMN c1c2cccnc2oc1CN1CCC[C@H]1c1ccccn1 ZINC000584093736 1119475586 /nfs/dbraw/zinc/47/55/86/1119475586.db2.gz JLPOTUJBTPSBME-INIZCTEOSA-N 0 1 279.343 3.560 20 0 CHADMN c1cc2n(n1)CCC[C@H]2N[C@@H]1CCSc2ccccc21 ZINC000657835215 1119486073 /nfs/dbraw/zinc/48/60/73/1119486073.db2.gz DJTZWCLTWZKGRO-ZIAGYGMSSA-N 0 1 285.416 3.545 20 0 CHADMN Clc1ncc(CN2CC[C@@H]3CCCC[C@H]3C2)s1 ZINC000250780928 1119490090 /nfs/dbraw/zinc/49/00/90/1119490090.db2.gz RUACGPJBVAMXIR-QWRGUYRKSA-N 0 1 270.829 3.809 20 0 CHADMN Cc1nc(CN2CCC[C@H]2c2cccc(C)c2C)[nH]c1C ZINC000628183074 1119493466 /nfs/dbraw/zinc/49/34/66/1119493466.db2.gz PUTHFUKVFNOFLA-KRWDZBQOSA-N 0 1 283.419 3.980 20 0 CHADMN C[C@@H](NCCc1ccco1)c1nc(C(F)(F)F)cs1 ZINC000343729947 1119497131 /nfs/dbraw/zinc/49/71/31/1119497131.db2.gz QTHNEWWUWUPTRK-MRVPVSSYSA-N 0 1 290.310 3.648 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CCC[C@@H]1C(C)C ZINC000343736915 1119497621 /nfs/dbraw/zinc/49/76/21/1119497621.db2.gz RMWCZYZIEDONCM-CQSZACIVSA-N 0 1 289.398 3.816 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@H]2c2cc(C)ccc2C)n1 ZINC000628185386 1119497796 /nfs/dbraw/zinc/49/77/96/1119497796.db2.gz XIBHGCKRPMVHDR-INIZCTEOSA-N 0 1 269.392 3.672 20 0 CHADMN CCOc1ccc(C[C@H](C)CN[C@H](C)c2ncco2)cc1 ZINC000926557754 1119499647 /nfs/dbraw/zinc/49/96/47/1119499647.db2.gz DZMLPJFDJUZDNA-UONOGXRCSA-N 0 1 288.391 3.603 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H]1CCCn2nccc21 ZINC000657841447 1119503922 /nfs/dbraw/zinc/50/39/22/1119503922.db2.gz GJUJXSUYZQCPLS-CABCVRRESA-N 0 1 299.418 3.923 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@@H]1CCCn2nccc21 ZINC000657841449 1119504335 /nfs/dbraw/zinc/50/43/35/1119504335.db2.gz GJUJXSUYZQCPLS-HUUCEWRRSA-N 0 1 299.418 3.923 20 0 CHADMN Cc1ccc(CCNc2ccnc3cc(F)ccc32)cn1 ZINC000080981928 1119508016 /nfs/dbraw/zinc/50/80/16/1119508016.db2.gz BKBFTBHLLQJUSQ-UHFFFAOYSA-N 0 1 281.334 3.732 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2cc3ccncc3s2)n1 ZINC000657845892 1119509600 /nfs/dbraw/zinc/50/96/00/1119509600.db2.gz YQBBCTKAZMMKDJ-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN O=C(c1ccc(Nc2ccncc2)cc1)N1CCC12CCC2 ZINC000081415846 1119515097 /nfs/dbraw/zinc/51/50/97/1119515097.db2.gz ZQBHCNYJDFVEIO-UHFFFAOYSA-N 0 1 293.370 3.594 20 0 CHADMN CCc1ncc(CNC(C)(C)c2cccc(F)c2)s1 ZINC000084045191 1119525729 /nfs/dbraw/zinc/52/57/29/1119525729.db2.gz IIPPEKSBGQOTSW-UHFFFAOYSA-N 0 1 278.396 3.870 20 0 CHADMN CSc1cccc(NC(=O)c2cccc(F)c2O)c1C ZINC001127620581 1128852098 /nfs/dbraw/zinc/85/20/98/1128852098.db2.gz KSGJSKWBSBXKGP-UHFFFAOYSA-N 0 1 291.347 3.814 20 0 CHADMN Cc1occc1CN[C@H](C)c1cc2cnccc2o1 ZINC000657857210 1119532214 /nfs/dbraw/zinc/53/22/14/1119532214.db2.gz SBOZKVKLBGSXOQ-SNVBAGLBSA-N 0 1 256.305 3.580 20 0 CHADMN Cc1ncc([C@H](C)N[C@H]2CCCc3ccc(F)cc32)c(C)n1 ZINC000089214320 1119538265 /nfs/dbraw/zinc/53/82/65/1119538265.db2.gz QIZHADAGQVWRBA-SGTLLEGYSA-N 0 1 299.393 3.961 20 0 CHADMN C[C@@H]1CN(Cc2cnc(C3CC3)s2)C[C@@H](C)C1(F)F ZINC000628390491 1128853052 /nfs/dbraw/zinc/85/30/52/1128853052.db2.gz IZAVWHBPBACFNN-NXEZZACHSA-N 0 1 286.391 3.744 20 0 CHADMN CCc1ccc([C@H](CO)N[C@H](C)c2ccccc2F)cc1 ZINC000090844385 1119550647 /nfs/dbraw/zinc/55/06/47/1119550647.db2.gz BNXJPXIVMCYFTD-ACJLOTCBSA-N 0 1 287.378 3.772 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c(F)c1 ZINC000250902885 1119553163 /nfs/dbraw/zinc/55/31/63/1119553163.db2.gz UFIIRRUGAPDNJM-OCCSQVGLSA-N 0 1 291.366 3.536 20 0 CHADMN CCn1c2ccccc2nc1CN(C)[C@H](C)C1(C)CC1 ZINC000091901007 1119560143 /nfs/dbraw/zinc/56/01/43/1119560143.db2.gz SAFYLTLTUJBQBP-CYBMUJFWSA-N 0 1 271.408 3.677 20 0 CHADMN C[C@H](N[C@@H]1CCc2cc(F)ccc21)c1ccc(F)cn1 ZINC000092742091 1119565387 /nfs/dbraw/zinc/56/53/87/1119565387.db2.gz CNBYWAKTNUUSSC-MGPLVRAMSA-N 0 1 274.314 3.698 20 0 CHADMN c1csc([C@@H]2CN(C[C@H]3C[C@H]3c3ccccc3)CCO2)c1 ZINC000092594110 1119565991 /nfs/dbraw/zinc/56/59/91/1119565991.db2.gz TVOBPDCSTHKHTL-IKGGRYGDSA-N 0 1 299.439 3.925 20 0 CHADMN COc1ccsc1CN1CCCC[C@@H]1c1cccn1C ZINC000093845355 1119572903 /nfs/dbraw/zinc/57/29/03/1119572903.db2.gz SQNFJEVDFNYEJS-CQSZACIVSA-N 0 1 290.432 3.822 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1Cl ZINC000403485742 1119582924 /nfs/dbraw/zinc/58/29/24/1119582924.db2.gz UERVZWDARPOJSN-WZRBSPASSA-N 0 1 265.784 3.571 20 0 CHADMN CCCCN1CCc2ccc(Br)cc2C1 ZINC000166197640 1119585843 /nfs/dbraw/zinc/58/58/43/1119585843.db2.gz PMKVOVQVLUAZRW-UHFFFAOYSA-N 0 1 268.198 3.607 20 0 CHADMN Cc1cccc([C@@H](C)N[C@H](CCO)c2ccccc2F)c1 ZINC000647346116 1119598415 /nfs/dbraw/zinc/59/84/15/1119598415.db2.gz RJTOGYUYVBZVML-RDTXWAMCSA-N 0 1 287.378 3.908 20 0 CHADMN OCC[C@@H](N[C@H]1CCc2ccccc21)c1ccccc1F ZINC000647346574 1119598786 /nfs/dbraw/zinc/59/87/86/1119598786.db2.gz XWBHUFLTQINVNL-ZWKOTPCHSA-N 0 1 285.362 3.526 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)CC3(C)CCCC3)ccc12 ZINC000685458735 1119610108 /nfs/dbraw/zinc/61/01/08/1119610108.db2.gz SZXSYRJSUGTIHD-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN CC(C)c1cnc(CN2CC[C@H]3CC[C@@H](C2)S3)s1 ZINC000628422783 1128857932 /nfs/dbraw/zinc/85/79/32/1128857932.db2.gz KROHBPPHCFUXPY-NEPJUHHUSA-N 0 1 282.478 3.736 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(-c2ccccc2C)c1 ZINC000650807185 1119617497 /nfs/dbraw/zinc/61/74/97/1119617497.db2.gz RWHLTFXVSRZYOM-GOSISDBHSA-N 0 1 297.398 3.957 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000051573790 1119623343 /nfs/dbraw/zinc/62/33/43/1119623343.db2.gz MULZPZITDFGSBT-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN CC[C@@H](C)[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000172693528 1119626577 /nfs/dbraw/zinc/62/65/77/1119626577.db2.gz UJDXSVUMVKAUFC-RISCZKNCSA-N 0 1 298.224 3.621 20 0 CHADMN CC[C@@H](C)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000172693528 1119626579 /nfs/dbraw/zinc/62/65/79/1119626579.db2.gz UJDXSVUMVKAUFC-RISCZKNCSA-N 0 1 298.224 3.621 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H](C)c1cc2cnccc2o1 ZINC000657910887 1119627687 /nfs/dbraw/zinc/62/76/87/1119627687.db2.gz XRNQPDVWCLACCX-QWHCGFSZSA-N 0 1 281.359 3.943 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H](C)c1cc2cnccc2o1 ZINC000657910883 1119628559 /nfs/dbraw/zinc/62/85/59/1119628559.db2.gz XRNQPDVWCLACCX-OLZOCXBDSA-N 0 1 281.359 3.943 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1cc(C(C)(C)C)on1 ZINC000685565605 1119631364 /nfs/dbraw/zinc/63/13/64/1119631364.db2.gz KDOPVMAHWIMNHM-NWDGAFQWSA-N 0 1 250.386 3.593 20 0 CHADMN CC(C)[C@H](CC(F)(F)F)NC/C(Cl)=C/Cl ZINC000309079566 1119633728 /nfs/dbraw/zinc/63/37/28/1119633728.db2.gz NWVOIJOZDBTYDH-NZGHECTNSA-N 0 1 264.118 3.872 20 0 CHADMN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2cc(C(C)(C)C)on2)C1 ZINC000685574991 1119634187 /nfs/dbraw/zinc/63/41/87/1119634187.db2.gz WQWOBTRQUDWRNX-FRRDWIJNSA-N 0 1 264.413 3.839 20 0 CHADMN CC(C)(C)c1cc(CN2CCC[C@H](C3CC3)C2)no1 ZINC000685585948 1119635828 /nfs/dbraw/zinc/63/58/28/1119635828.db2.gz LJUSHOLXRMLBGN-ZDUSSCGKSA-N 0 1 262.397 3.594 20 0 CHADMN Cc1cc(CSc2n[nH]c(CCC3CCCC3)n2)on1 ZINC000144131188 1119636020 /nfs/dbraw/zinc/63/60/20/1119636020.db2.gz MVZWFUFZZUNXMV-UHFFFAOYSA-N 0 1 292.408 3.516 20 0 CHADMN Cc1cc(CSc2nc(CCC3CCCC3)n[nH]2)on1 ZINC000144131188 1119636023 /nfs/dbraw/zinc/63/60/23/1119636023.db2.gz MVZWFUFZZUNXMV-UHFFFAOYSA-N 0 1 292.408 3.516 20 0 CHADMN COc1ccc(NCc2[nH]nc3ccccc32)cc1Cl ZINC000694002697 1119646548 /nfs/dbraw/zinc/64/65/48/1119646548.db2.gz BMMBYIZDZIFLOI-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN C[C@@H](N[C@H]1CCCn2nccc21)c1ccc(Cl)c(F)c1 ZINC000657935511 1119646663 /nfs/dbraw/zinc/64/66/63/1119646663.db2.gz DLLDGMUWOFPKKO-YGRLFVJLSA-N 0 1 293.773 3.861 20 0 CHADMN Clc1ccc(C2(N[C@H]3CCCn4nccc43)CC2)cc1 ZINC000657946039 1119649874 /nfs/dbraw/zinc/64/98/74/1119649874.db2.gz ULQVYQAUXDZFIM-AWEZNQCLSA-N 0 1 287.794 3.650 20 0 CHADMN COc1cc(F)cc(CNCc2cc3ccccc3o2)c1 ZINC000093970617 1119662659 /nfs/dbraw/zinc/66/26/59/1119662659.db2.gz FEMGWULDDJQFSS-UHFFFAOYSA-N 0 1 285.318 3.870 20 0 CHADMN CC(C)CCN1Cc2cccc(NC(=O)[C@@H]3CC34CC4)c2C1 ZINC000421463412 1119666224 /nfs/dbraw/zinc/66/62/24/1119666224.db2.gz BEKJBJFPMCFIKT-INIZCTEOSA-N 0 1 298.430 3.787 20 0 CHADMN CCC(F)(F)CNC[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000628435459 1128862144 /nfs/dbraw/zinc/86/21/44/1128862144.db2.gz MTXLXYFTGZUHSL-LLVKDONJSA-N 0 1 289.341 3.648 20 0 CHADMN C[C@H](NCc1cccnc1N1CCCC1)c1cccs1 ZINC000658100192 1119685630 /nfs/dbraw/zinc/68/56/30/1119685630.db2.gz HUGNHYLHLJXAGQ-ZDUSSCGKSA-N 0 1 287.432 3.594 20 0 CHADMN CCC(F)(F)CNCc1nc(C(C)C)n2ccccc12 ZINC000628435417 1128862228 /nfs/dbraw/zinc/86/22/28/1128862228.db2.gz LFAZRCGBKLXOIJ-UHFFFAOYSA-N 0 1 281.350 3.593 20 0 CHADMN OC/C=C\CN[C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000658134698 1119687131 /nfs/dbraw/zinc/68/71/31/1119687131.db2.gz RKUZABJHQXJBPF-IYABHPQVSA-N 0 1 292.231 3.570 20 0 CHADMN C[C@H]1C[C@H](CN[C@H](c2ncc[nH]2)c2cccnc2)C[C@@H](C)C1 ZINC000658126711 1119689928 /nfs/dbraw/zinc/68/99/28/1119689928.db2.gz HVAQAAURVGKGGS-HWMZRRJGSA-N 0 1 298.434 3.556 20 0 CHADMN CC[C@H](N[C@H](CO)c1ccccc1)c1ccsc1 ZINC000294420498 1119690600 /nfs/dbraw/zinc/69/06/00/1119690600.db2.gz OFFVGSWWBKNXFG-LSDHHAIUSA-N 0 1 261.390 3.522 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@@H](c1ccccc1F)C(C)C ZINC000658165812 1119695518 /nfs/dbraw/zinc/69/55/18/1119695518.db2.gz GZSUYFVMZQLPRU-MEDUHNTESA-N 0 1 275.371 3.905 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@@H](c1ccccc1F)C(C)C ZINC000658169115 1119696075 /nfs/dbraw/zinc/69/60/75/1119696075.db2.gz ZMAOPDQPCGQSLY-CXAGYDPISA-N 0 1 287.382 3.972 20 0 CHADMN Clc1ccc(CN[C@@H]2CCCn3nccc32)cc1Cl ZINC000658210178 1119702815 /nfs/dbraw/zinc/70/28/15/1119702815.db2.gz WMEVVKUIIDDZLQ-CYBMUJFWSA-N 0 1 296.201 3.815 20 0 CHADMN C[C@@]1(CN[C@@H](c2ccccc2)c2ccccn2)CC1(F)F ZINC000658221173 1119703681 /nfs/dbraw/zinc/70/36/81/1119703681.db2.gz SBTGULHWRFKKMS-HOTGVXAUSA-N 0 1 288.341 3.806 20 0 CHADMN C[C@@H]1CCC[C@@H](CN[C@H](c2ccccc2)c2ccccn2)O1 ZINC000658221991 1119704250 /nfs/dbraw/zinc/70/42/50/1119704250.db2.gz VRCMFIPGBJNOQS-HHXXYDBFSA-N 0 1 296.414 3.718 20 0 CHADMN C[C@H](N[C@H]1CCc2ccc(O)cc21)c1cc2cnccc2o1 ZINC000658239901 1119710193 /nfs/dbraw/zinc/71/01/93/1119710193.db2.gz WMPLOJAQYMLBSA-ZBEGNZNMSA-N 0 1 294.354 3.872 20 0 CHADMN CC(C)[C@@H](O)[C@@H](N[C@@H](C)c1cccc(O)c1)c1ccccc1 ZINC000658286753 1119717834 /nfs/dbraw/zinc/71/78/34/1119717834.db2.gz BPQNGIOFJXZMIO-ZOCIIQOWSA-N 0 1 299.414 3.801 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(Cl)cc2)o1 ZINC000892430818 1119719793 /nfs/dbraw/zinc/71/97/93/1119719793.db2.gz KTOSBUOHCBWOME-SNVBAGLBSA-N 0 1 265.740 3.792 20 0 CHADMN CCc1ccc([C@H](CC)N[C@H](C)c2nccn2C)cc1 ZINC000658335148 1119725879 /nfs/dbraw/zinc/72/58/79/1119725879.db2.gz KMUQVUONEIBALN-CJNGLKHVSA-N 0 1 271.408 3.784 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@H]2N[C@@H](C)c1nccn1C ZINC000658336020 1119726808 /nfs/dbraw/zinc/72/68/08/1119726808.db2.gz LVMNGURINAAQOP-GOEBONIOSA-N 0 1 283.419 3.765 20 0 CHADMN CC(C)(C)C(F)(F)CN[C@@H]1CCCC12CCOCC2 ZINC000658338794 1119727262 /nfs/dbraw/zinc/72/72/62/1119727262.db2.gz LRLOQSOHOVARIL-GFCCVEGCSA-N 0 1 275.383 3.607 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](c2ccccc2)[C@H](C)O)c(C)o1 ZINC000658360990 1119731236 /nfs/dbraw/zinc/73/12/36/1119731236.db2.gz MWOOGDQMAPKKNE-GDZNZVCISA-N 0 1 273.376 3.669 20 0 CHADMN Cc1cc(CNCc2cccc(C(F)(F)F)c2)cnc1F ZINC000892435296 1119732092 /nfs/dbraw/zinc/73/20/92/1119732092.db2.gz NOALRPJHQWYBAE-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CNCc1ccc(F)cc1 ZINC000892443673 1119741198 /nfs/dbraw/zinc/74/11/98/1119741198.db2.gz IPPBGOOYULNQFS-UHFFFAOYSA-N 0 1 275.371 3.510 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cnc(F)cc1C ZINC000892463217 1119745567 /nfs/dbraw/zinc/74/55/67/1119745567.db2.gz XMJVCVCYSUTSBH-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN CCn1ccnc1CN(Cc1ccccc1)[C@H](C)C1CC1 ZINC000102182090 1119746409 /nfs/dbraw/zinc/74/64/09/1119746409.db2.gz BVBWKNUXOYNUMA-OAHLLOKOSA-N 0 1 283.419 3.704 20 0 CHADMN O=C(CN1CCC2(CCC2)CC1)c1c[nH]c2ccccc12 ZINC000308741403 1119752407 /nfs/dbraw/zinc/75/24/07/1119752407.db2.gz DUJQIMBCWUPQJB-UHFFFAOYSA-N 0 1 282.387 3.617 20 0 CHADMN Cc1cc(CNCc2ccccc2C(F)(F)F)sn1 ZINC000404490944 1119755581 /nfs/dbraw/zinc/75/55/81/1119755581.db2.gz IPUOSJJDKPBGIK-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN Cc1cc(CN2CC3(CCC3)C2)cc(OC(F)(F)F)c1 ZINC001143462160 1119756454 /nfs/dbraw/zinc/75/64/54/1119756454.db2.gz BACKISDSYBKWLJ-UHFFFAOYSA-N 0 1 285.309 3.880 20 0 CHADMN Cc1ncc(CN[C@@H]2c3ccccc3CCC[C@@H]2C)o1 ZINC000628239601 1119759498 /nfs/dbraw/zinc/75/94/98/1119759498.db2.gz XSBXTDRLLWRKHU-SJCJKPOMSA-N 0 1 270.376 3.786 20 0 CHADMN CCCCN(C)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000023991723 1119764941 /nfs/dbraw/zinc/76/49/41/1119764941.db2.gz KGABTEVHNGMJQC-AWEZNQCLSA-N 0 1 284.403 3.899 20 0 CHADMN Cc1noc([C@H](C)N[C@@H]2CCC[C@H]2c2ccc(C)cc2)n1 ZINC000569759000 1119765371 /nfs/dbraw/zinc/76/53/71/1119765371.db2.gz NCBZWKAQOYUWOZ-VBNZEHGJSA-N 0 1 285.391 3.673 20 0 CHADMN COc1ccc(CN[C@H](c2ccccc2)C(C)C)o1 ZINC000892480429 1119767379 /nfs/dbraw/zinc/76/73/79/1119767379.db2.gz BEVODEKAGLTUEW-INIZCTEOSA-N 0 1 259.349 3.775 20 0 CHADMN COc1nccc(CN[C@@H](c2ccccc2)C(C)C)c1F ZINC000892481726 1119769303 /nfs/dbraw/zinc/76/93/03/1119769303.db2.gz OOWCEGXTLIQPDX-MRXNPFEDSA-N 0 1 288.366 3.716 20 0 CHADMN CC(C)c1nnc(CNCCCCc2ccccc2)s1 ZINC000892482841 1119771888 /nfs/dbraw/zinc/77/18/88/1119771888.db2.gz ZTEQRTIBZKZWGQ-UHFFFAOYSA-N 0 1 289.448 3.774 20 0 CHADMN C[C@H](C1CC1)[N@@H+](Cc1cccc(C(=O)[O-])c1Cl)C1CC1 ZINC000584475052 1119777025 /nfs/dbraw/zinc/77/70/25/1119777025.db2.gz SDPAGBLOVKBYEN-SNVBAGLBSA-N 0 1 293.794 3.801 20 0 CHADMN CC(C)(C)CN[C@H](c1nccs1)c1ccccc1 ZINC000236623590 1119791476 /nfs/dbraw/zinc/79/14/76/1119791476.db2.gz LAYYJWSLHOMEAP-ZDUSSCGKSA-N 0 1 260.406 3.868 20 0 CHADMN Cc1nc(C)c(CN[C@@H](c2ccc(C)cc2)C2CC2)o1 ZINC000312468062 1119793514 /nfs/dbraw/zinc/79/35/14/1119793514.db2.gz FWNBKROJGDJTNB-KRWDZBQOSA-N 0 1 270.376 3.841 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cccs1)c1cccc(OC)n1 ZINC000924548233 1119796567 /nfs/dbraw/zinc/79/65/67/1119796567.db2.gz FSOPXRSCEFNTPR-NWDGAFQWSA-N 0 1 276.405 3.954 20 0 CHADMN CC1(C)CCC(C)(C)N(C(=O)c2cccc3[nH]cnc32)C1 ZINC000628532926 1128869710 /nfs/dbraw/zinc/86/97/10/1128869710.db2.gz GMIDPAZNRCQWMW-UHFFFAOYSA-N 0 1 285.391 3.604 20 0 CHADMN CC(C)[C@H](C(=O)NOC1CCCCC1)c1ccccc1 ZINC000779316570 1128870254 /nfs/dbraw/zinc/87/02/54/1128870254.db2.gz GDYOXCWZEIEOFX-INIZCTEOSA-N 0 1 275.392 3.807 20 0 CHADMN FC(F)(F)c1nc(CNCCC2CCCC2)cs1 ZINC000892506962 1119806479 /nfs/dbraw/zinc/80/64/79/1119806479.db2.gz QBKUPEXRUKATFO-UHFFFAOYSA-N 0 1 278.343 3.832 20 0 CHADMN CSc1cc(C)ccc1NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000413910412 1119824542 /nfs/dbraw/zinc/82/45/42/1119824542.db2.gz UKSVKSQTVHIKIJ-STQMWFEESA-N 0 1 292.448 3.528 20 0 CHADMN Cc1nc(CN[C@@H]2CCCC23CCCCC3)oc1C ZINC000313022262 1119828599 /nfs/dbraw/zinc/82/85/99/1119828599.db2.gz BCAHPHYSUKLLAO-CQSZACIVSA-N 0 1 262.397 3.884 20 0 CHADMN CC(C)C1CN(Cc2cccc(Br)c2)C1 ZINC000133331900 1119828937 /nfs/dbraw/zinc/82/89/37/1119828937.db2.gz NXZDFMIOCQFABK-UHFFFAOYSA-N 0 1 268.198 3.537 20 0 CHADMN C[C@H]1CN(Cc2cc(Br)ccn2)CCC[C@@H]1C ZINC001140762294 1119830882 /nfs/dbraw/zinc/83/08/82/1119830882.db2.gz UUNYRXZLLSRYJO-RYUDHWBXSA-N 0 1 297.240 3.712 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(OC(F)F)cc2)nc1 ZINC000133726834 1119845100 /nfs/dbraw/zinc/84/51/00/1119845100.db2.gz OLOXFAWYLSBVJO-GFCCVEGCSA-N 0 1 292.329 3.842 20 0 CHADMN CCCC[C@H](CC)CCNCc1nnc(CC)s1 ZINC000515008841 1119846043 /nfs/dbraw/zinc/84/60/43/1119846043.db2.gz KULIDUFAUWAFLX-LBPRGKRZSA-N 0 1 269.458 3.797 20 0 CHADMN CO[C@H](C(=O)Nc1cccc(Cl)c1O)C1CCCCC1 ZINC000613035229 1119853008 /nfs/dbraw/zinc/85/30/08/1119853008.db2.gz NXTMBNXVKCTXNL-AWEZNQCLSA-N 0 1 297.782 3.579 20 0 CHADMN Cc1nc([C@@H]2CCCCN2C[C@H]2CC(C)=C[C@H](C)C2)no1 ZINC000685834868 1119854321 /nfs/dbraw/zinc/85/43/21/1119854321.db2.gz SQJBDAFCUGJJNU-MAZHCROVSA-N 0 1 289.423 3.897 20 0 CHADMN Cc1cn[nH]c1C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000685838235 1119856965 /nfs/dbraw/zinc/85/69/65/1119856965.db2.gz NFTKGKKNVAFJJE-IBGZPJMESA-N 0 1 295.430 3.588 20 0 CHADMN C[C@@H](N[C@H]1CCOc2ccccc21)c1cnn(C2CCC2)c1 ZINC000924564574 1119859668 /nfs/dbraw/zinc/85/96/68/1119859668.db2.gz ROVVXXYAMAYJFF-DYVFJYSZSA-N 0 1 297.402 3.783 20 0 CHADMN COc1cccc(CN[C@@H]2CCc3c2nccc3Cl)c1 ZINC000924565074 1119862101 /nfs/dbraw/zinc/86/21/01/1119862101.db2.gz REPRMGBRFOOQJO-OAHLLOKOSA-N 0 1 288.778 3.521 20 0 CHADMN Cc1cn[nH]c1CN1C[C@@H](C(C)(C)C)c2ccccc21 ZINC000685844943 1119865264 /nfs/dbraw/zinc/86/52/64/1119865264.db2.gz MCORULAVMICGIM-CQSZACIVSA-N 0 1 269.392 3.868 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc3cnccc3c2)[C@H]1[C@H]1CCCO1 ZINC000685849540 1119868795 /nfs/dbraw/zinc/86/87/95/1119868795.db2.gz MBVVMRXBOJWRON-MSOLQXFVSA-N 0 1 296.414 3.624 20 0 CHADMN Fc1cccc(Cl)c1CN[C@@H]1CCC(F)(F)C1 ZINC000310180716 1119878432 /nfs/dbraw/zinc/87/84/32/1119878432.db2.gz TWBYTDJSWZOYDF-MRVPVSSYSA-N 0 1 263.690 3.757 20 0 CHADMN Cc1cc(-c2noc([C@@H]3CCCN3C(C)C)n2)ccc1F ZINC000923784124 1119881111 /nfs/dbraw/zinc/88/11/11/1119881111.db2.gz QCGLMDIDKOLWTE-AWEZNQCLSA-N 0 1 289.354 3.729 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2cc3n(n2)CCC3)c(C)c1 ZINC000414074021 1119883955 /nfs/dbraw/zinc/88/39/55/1119883955.db2.gz MMSBMTPEFUETOV-OAHLLOKOSA-N 0 1 283.419 3.605 20 0 CHADMN Cc1cccc([C@@H](C)N[C@@H](C)c2cc3n(n2)CCC3)c1C ZINC000414080184 1119886128 /nfs/dbraw/zinc/88/61/28/1119886128.db2.gz CZECMJILZRMTHO-CABCVRRESA-N 0 1 283.419 3.858 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@H](C)c2cc3n(n2)CCC3)c1 ZINC000414129836 1119909718 /nfs/dbraw/zinc/90/97/18/1119909718.db2.gz VMKRCXZVSINGFP-HUUCEWRRSA-N 0 1 283.419 3.858 20 0 CHADMN CCc1noc(C)c1CN[C@@H](C)c1ccc(OC)cc1C ZINC000414136078 1119912318 /nfs/dbraw/zinc/91/23/18/1119912318.db2.gz IOUQIIBRBHQBIO-LBPRGKRZSA-N 0 1 288.391 3.713 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)cn1)c1ccsc1 ZINC000134019339 1119917802 /nfs/dbraw/zinc/91/78/02/1119917802.db2.gz WCIDBWMFLYMIAP-UWVGGRQHSA-N 0 1 250.342 3.694 20 0 CHADMN CCn1ccc(CN[C@@H](CC(C)C)c2ccccc2)n1 ZINC000414204327 1119937829 /nfs/dbraw/zinc/93/78/29/1119937829.db2.gz FWMQPDOTXXNXOJ-KRWDZBQOSA-N 0 1 271.408 3.780 20 0 CHADMN CCn1ccc(CN[C@H]2CC[C@H](C)c3ccsc32)n1 ZINC000414209899 1119940445 /nfs/dbraw/zinc/94/04/45/1119940445.db2.gz LRSLTMLOAPSJHS-FZMZJTMJSA-N 0 1 275.421 3.693 20 0 CHADMN C[C@H]1CCCCN1CCNc1ncc(Cl)cc1Cl ZINC000613491166 1119940482 /nfs/dbraw/zinc/94/04/82/1119940482.db2.gz HDHXIZIMMIMFLO-JTQLQIEISA-N 0 1 288.222 3.675 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1nccs1 ZINC000414226683 1119946944 /nfs/dbraw/zinc/94/69/44/1119946944.db2.gz UOMRGMNVDVSXAZ-QJPTWQEYSA-N 0 1 282.453 3.776 20 0 CHADMN CCn1nc(C)c(CN[C@H](C)c2cc(C)oc2C)c1C ZINC000307973316 1119970417 /nfs/dbraw/zinc/97/04/17/1119970417.db2.gz ZSTGQFQIZFEEIM-LLVKDONJSA-N 0 1 275.396 3.580 20 0 CHADMN C[C@@H](NCC/C=C\c1ccccc1)c1cscn1 ZINC000661414098 1119970902 /nfs/dbraw/zinc/97/09/02/1119970902.db2.gz KBQWVIQMEFHBAT-WYOARUQKSA-N 0 1 258.390 3.897 20 0 CHADMN C[C@@H](N[C@@H](C)CCC1CCCCC1)c1csnn1 ZINC000414297845 1119971014 /nfs/dbraw/zinc/97/10/14/1119971014.db2.gz HQWWJZYWSPLBBV-NWDGAFQWSA-N 0 1 267.442 3.938 20 0 CHADMN Cc1cccc([C@@H](N[C@@H](C)c2cn(C)cn2)C(C)C)c1 ZINC000926763110 1119972449 /nfs/dbraw/zinc/97/24/49/1119972449.db2.gz SGINBCWFKMSYTC-YOEHRIQHSA-N 0 1 271.408 3.776 20 0 CHADMN CCn1c2ccccc2nc1-c1cc(F)c(O)c(F)c1 ZINC000175926048 1119979524 /nfs/dbraw/zinc/97/95/24/1119979524.db2.gz WPBMCRXNCZIYCZ-UHFFFAOYSA-N 0 1 274.270 3.707 20 0 CHADMN CCCOCc1ccccc1CNCc1ccc(OC)o1 ZINC000892613185 1119981980 /nfs/dbraw/zinc/98/19/80/1119981980.db2.gz ROBBBJMSPFZORS-UHFFFAOYSA-N 0 1 289.375 3.505 20 0 CHADMN CC/C=C\CCN(CC)CC(=O)Nc1c(C)cccc1C ZINC000341316228 1119988725 /nfs/dbraw/zinc/98/87/25/1119988725.db2.gz INTRJVPQWVJCJF-FPLPWBNLSA-N 0 1 288.435 3.920 20 0 CHADMN COCc1cc([C@H](C)NCc2ccc(C)o2)ccc1OC ZINC000053036326 1119990128 /nfs/dbraw/zinc/99/01/28/1119990128.db2.gz GKMIIGPIFMLGKH-ZDUSSCGKSA-N 0 1 289.375 3.594 20 0 CHADMN CC[C@H](CN(CC)Cc1ccon1)c1ccccc1 ZINC000186620286 1119996044 /nfs/dbraw/zinc/99/60/44/1119996044.db2.gz VABCOLZMRGISEM-CQSZACIVSA-N 0 1 258.365 3.690 20 0 CHADMN Cc1occc1CNC1(c2cccc(F)c2)CCOCC1 ZINC000414363281 1119999885 /nfs/dbraw/zinc/99/98/85/1119999885.db2.gz XMGJGGCHJPWEJB-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN C[C@H](N[C@@H]1CCCc2ccc(Cl)cc21)c1ccnnc1 ZINC000926777191 1120004179 /nfs/dbraw/zinc/00/41/79/1120004179.db2.gz ZKQICCAYKFIOKP-MEDUHNTESA-N 0 1 287.794 3.858 20 0 CHADMN Cc1occc1CN1CCC(C(=O)c2ccccc2)CC1 ZINC000414374408 1120005122 /nfs/dbraw/zinc/00/51/22/1120005122.db2.gz VLSJCMJJGFFSSX-UHFFFAOYSA-N 0 1 283.371 3.683 20 0 CHADMN Cc1occc1CNC(C)(C)c1ccc(F)c(F)c1 ZINC000414373628 1120005927 /nfs/dbraw/zinc/00/59/27/1120005927.db2.gz ZOHMXXKRSCVMGB-UHFFFAOYSA-N 0 1 265.303 3.891 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1cn(C(C)C)nn1)c1ccccc1 ZINC000924581700 1120009923 /nfs/dbraw/zinc/00/99/23/1120009923.db2.gz UDGCXLPVJRQAGH-YOEHRIQHSA-N 0 1 286.423 3.907 20 0 CHADMN CC(C)(C)c1cnc(CN[C@@H]2CCCC2(C)C)o1 ZINC000472605932 1120011328 /nfs/dbraw/zinc/01/13/28/1120011328.db2.gz YSGNELSBTRFNRO-LLVKDONJSA-N 0 1 250.386 3.640 20 0 CHADMN COc1ccccc1CN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000539863542 1120011456 /nfs/dbraw/zinc/01/14/56/1120011456.db2.gz TUQAHCUFVLGCEP-RDTXWAMCSA-N 0 1 267.372 3.888 20 0 CHADMN CCCc1noc(CN[C@H]2CCC[C@H]2CCC(C)C)n1 ZINC000472607830 1120012985 /nfs/dbraw/zinc/01/29/85/1120012985.db2.gz HGEVOMXWTSDOIW-KBPBESRZSA-N 0 1 279.428 3.717 20 0 CHADMN CCCc1nc(CN2CC[C@H](c3ccco3)C2)cs1 ZINC000376514446 1120023559 /nfs/dbraw/zinc/02/35/59/1120023559.db2.gz ZHTCVPZGRAYKHZ-LBPRGKRZSA-N 0 1 276.405 3.678 20 0 CHADMN C[C@@H](CCc1cccc(F)c1)N1Cc2ccc(O)cc2C1 ZINC000628419260 1120034443 /nfs/dbraw/zinc/03/44/43/1120034443.db2.gz RXWDKYUHOTZYMR-ZDUSSCGKSA-N 0 1 285.362 3.868 20 0 CHADMN Cc1oncc1CN(C)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361590329 1120036033 /nfs/dbraw/zinc/03/60/33/1120036033.db2.gz JGRUVHSZYRFUMU-VXGBXAGGSA-N 0 1 276.302 3.536 20 0 CHADMN OCc1ccccc1CNCc1ccc(C(F)F)c(F)c1 ZINC000892671848 1120036591 /nfs/dbraw/zinc/03/65/91/1120036591.db2.gz DWZGVXLOXUKJMW-UHFFFAOYSA-N 0 1 295.304 3.545 20 0 CHADMN COc1ccc(-c2ccc(F)c(CN(C)C)c2)cc1F ZINC001239580474 1120037827 /nfs/dbraw/zinc/03/78/27/1120037827.db2.gz BZIJZCKIFIXOBX-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN COc1cccc2c1CN(c1ccnc(C)c1Cl)C2 ZINC000624672692 1120047339 /nfs/dbraw/zinc/04/73/39/1120047339.db2.gz WLZMZMJBIITVFM-UHFFFAOYSA-N 0 1 274.751 3.572 20 0 CHADMN CCCOc1ccc(-n2c(N)nc3ccc(C)cc32)cc1 ZINC000094661045 1120053880 /nfs/dbraw/zinc/05/38/80/1120053880.db2.gz BQHWCGKYYOGMQL-UHFFFAOYSA-N 0 1 281.359 3.705 20 0 CHADMN COCC1(CN(C)Cc2cc(Cl)ccc2F)CCC1 ZINC000361376187 1120056019 /nfs/dbraw/zinc/05/60/19/1120056019.db2.gz GASMSFWEYPYNHT-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN C/C=C(/CC)C(=O)Nc1ccc(-c2nc(C)c(C)[nH]2)cc1 ZINC000921658857 1120057460 /nfs/dbraw/zinc/05/74/60/1120057460.db2.gz DWYKAACNHIBKDO-ACAGNQJTSA-N 0 1 283.375 3.988 20 0 CHADMN CC(=O)c1ccc(-c2cccc3nc(C)[nH]c32)cc1 ZINC001239633430 1120061222 /nfs/dbraw/zinc/06/12/22/1120061222.db2.gz WJGJQYQGSPXBMB-UHFFFAOYSA-N 0 1 250.301 3.741 20 0 CHADMN Cc1ccc([C@H](NCc2cc[nH]n2)C2CCCC2)cc1 ZINC000187981291 1120062986 /nfs/dbraw/zinc/06/29/86/1120062986.db2.gz CTINWCLCZUTKRU-QGZVFWFLSA-N 0 1 269.392 3.739 20 0 CHADMN COc1ccc(CN[C@@H]2CCc3c2cccc3Cl)o1 ZINC000892681295 1120064921 /nfs/dbraw/zinc/06/49/21/1120064921.db2.gz YTRIKKMHUCDMEV-CQSZACIVSA-N 0 1 277.751 3.719 20 0 CHADMN CCc1ccc(-c2noc(CN[C@@H]3CCC3(C)C)n2)cc1 ZINC000580208800 1120066887 /nfs/dbraw/zinc/06/68/87/1120066887.db2.gz NSFRJVJWTXWWJK-CQSZACIVSA-N 0 1 285.391 3.577 20 0 CHADMN COc1cccc(CCN2CCC[C@H]2c2nccs2)c1 ZINC001207431404 1120067450 /nfs/dbraw/zinc/06/74/50/1120067450.db2.gz QSBIAPKNNWFFEC-HNNXBMFYSA-N 0 1 288.416 3.531 20 0 CHADMN CCCCCC[C@H](C)N[C@@H]1c2cc(C)ccc2NC1=O ZINC000139068262 1120073580 /nfs/dbraw/zinc/07/35/80/1120073580.db2.gz COCYOLFAYLOVBH-XJKSGUPXSA-N 0 1 274.408 3.937 20 0 CHADMN Cc1cccc(NCC2(C(F)(F)F)CCCC2)n1 ZINC000624706121 1120077607 /nfs/dbraw/zinc/07/76/07/1120077607.db2.gz CIKGNLWCPHQOOM-UHFFFAOYSA-N 0 1 258.287 3.925 20 0 CHADMN CC(C)c1ccc(CNCc2ccncc2F)cc1 ZINC000449100398 1128888766 /nfs/dbraw/zinc/88/87/66/1128888766.db2.gz WSBDUDYKSCGICH-UHFFFAOYSA-N 0 1 258.340 3.634 20 0 CHADMN Cc1cc(C[N@@H+](Cc2ccccn2)C(C)C)cs1 ZINC000648361821 1120084193 /nfs/dbraw/zinc/08/41/93/1120084193.db2.gz RZFQWKZJVGRFOP-UHFFFAOYSA-N 0 1 260.406 3.862 20 0 CHADMN Cc1cc(CN(Cc2ccccn2)C(C)C)cs1 ZINC000648361821 1120084196 /nfs/dbraw/zinc/08/41/96/1120084196.db2.gz RZFQWKZJVGRFOP-UHFFFAOYSA-N 0 1 260.406 3.862 20 0 CHADMN Oc1c(Cl)cc(Cl)cc1CNc1ccc(F)cn1 ZINC000181569987 1128889348 /nfs/dbraw/zinc/88/93/48/1128889348.db2.gz AVSWCKUWBKUTHJ-UHFFFAOYSA-N 0 1 287.121 3.845 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000613590204 1120091425 /nfs/dbraw/zinc/09/14/25/1120091425.db2.gz ICKOFPVGMSSABM-FXBDTBDDSA-N 0 1 283.730 3.559 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N(C)CCC2CC2)c(Cl)c1 ZINC000179251535 1120092057 /nfs/dbraw/zinc/09/20/57/1120092057.db2.gz OOTBRLKKULIBFG-LBPRGKRZSA-N 0 1 294.826 3.707 20 0 CHADMN Cc1ccc(F)cc1CN[C@H]1CCCc2occc21 ZINC000180049586 1120096172 /nfs/dbraw/zinc/09/61/72/1120096172.db2.gz TXRIGCXCXPYLMR-HNNXBMFYSA-N 0 1 259.324 3.894 20 0 CHADMN COc1ccc2oc(CN[C@@H](C)c3ccc[nH]3)cc2c1 ZINC000763497279 1128890212 /nfs/dbraw/zinc/89/02/12/1128890212.db2.gz DVVJESBPLXNNED-NSHDSACASA-N 0 1 270.332 3.620 20 0 CHADMN COc1ccc2oc(CN[C@H](C)c3ccc[nH]3)cc2c1 ZINC000763497278 1128890303 /nfs/dbraw/zinc/89/03/03/1128890303.db2.gz DVVJESBPLXNNED-LLVKDONJSA-N 0 1 270.332 3.620 20 0 CHADMN C[C@H](NC/C=C/Cl)c1ccccc1Br ZINC000181573670 1128890459 /nfs/dbraw/zinc/89/04/59/1128890459.db2.gz SCGOZEQPRBCQJJ-IYNCYZAOSA-N 0 1 274.589 3.852 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CCCC1CCC1 ZINC000659793214 1120110454 /nfs/dbraw/zinc/11/04/54/1120110454.db2.gz DDQHGDMTFFWZPI-SJORKVTESA-N 0 1 293.451 3.922 20 0 CHADMN CC(C)CCC[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000659794411 1120110729 /nfs/dbraw/zinc/11/07/29/1120110729.db2.gz BVHWUBQQQYVJPD-HOTGVXAUSA-N 0 1 275.392 3.713 20 0 CHADMN Cc1cc(F)ccc1-c1noc([C@H]2CCCN2C(C)C)n1 ZINC000923882870 1120112217 /nfs/dbraw/zinc/11/22/17/1120112217.db2.gz ZDGVWYQEANAHDI-CQSZACIVSA-N 0 1 289.354 3.729 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@@H]2CC2CCC2)s1 ZINC000659803621 1120113540 /nfs/dbraw/zinc/11/35/40/1120113540.db2.gz LFDVEZKVHRFLDZ-CYBMUJFWSA-N 0 1 293.432 3.991 20 0 CHADMN CC[C@H](C)O[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001204630773 1120114690 /nfs/dbraw/zinc/11/46/90/1120114690.db2.gz UVUCXGHZKUICCS-GXTWGEPZSA-N 0 1 267.800 3.729 20 0 CHADMN Cc1cc(CN(C)[C@H]2CCCc3ccccc32)nc(C)n1 ZINC000659816725 1120115946 /nfs/dbraw/zinc/11/59/46/1120115946.db2.gz COVOYMBADWZIEI-SFHVURJKSA-N 0 1 281.403 3.603 20 0 CHADMN Cc1nc(CN2CCC[C@H]2c2ccc(C)cc2)c(C)o1 ZINC000659809390 1120116075 /nfs/dbraw/zinc/11/60/75/1120116075.db2.gz ADBFZCIWFUJELR-KRWDZBQOSA-N 0 1 270.376 3.937 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2ccnn2C2CCC2)c1 ZINC000924597590 1120118055 /nfs/dbraw/zinc/11/80/55/1120118055.db2.gz PNIHRZZZIUYJQK-AWEZNQCLSA-N 0 1 269.392 3.767 20 0 CHADMN COc1cccc([C@H](C)NCc2cc(F)ccc2OC)c1 ZINC000182415964 1120119583 /nfs/dbraw/zinc/11/95/83/1120119583.db2.gz DAIFAUIBOFHGNW-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN Cc1cc2cc[nH]c2c(N[C@@H]2CCNc3ccccc32)n1 ZINC001168639989 1120126539 /nfs/dbraw/zinc/12/65/39/1120126539.db2.gz VCLBEMDORJNPSC-OAHLLOKOSA-N 0 1 278.359 3.840 20 0 CHADMN Fc1ccc2oc(CN3CC4(C3)CCCC4)cc2c1 ZINC000362322269 1120127121 /nfs/dbraw/zinc/12/71/21/1120127121.db2.gz MOBNIZYRSBRBCW-UHFFFAOYSA-N 0 1 259.324 3.948 20 0 CHADMN COc1ccc(CNCc2ccccc2)c(Cl)c1OC ZINC000110819113 1120127997 /nfs/dbraw/zinc/12/79/97/1120127997.db2.gz DIFLQAXUZCNDGS-UHFFFAOYSA-N 0 1 291.778 3.647 20 0 CHADMN Cc1ccc(CN[C@H]2CCCc3occc32)cc1F ZINC000110974867 1120129828 /nfs/dbraw/zinc/12/98/28/1120129828.db2.gz SLANTUWVXAIUAC-HNNXBMFYSA-N 0 1 259.324 3.894 20 0 CHADMN CCN(C)c1ccccc1CN[C@H](C)c1ccc(C)o1 ZINC000765849048 1120130858 /nfs/dbraw/zinc/13/08/58/1120130858.db2.gz MKOXUNAELQBOJS-CQSZACIVSA-N 0 1 272.392 3.895 20 0 CHADMN CCN(C)c1ccccc1CN[C@H](C)c1cncc(F)c1 ZINC000765849759 1120133360 /nfs/dbraw/zinc/13/33/60/1120133360.db2.gz PYIIZCZXWISLTB-CYBMUJFWSA-N 0 1 287.382 3.528 20 0 CHADMN CC(C)(NCC=C(Cl)Cl)c1cccs1 ZINC000851933993 1120141140 /nfs/dbraw/zinc/14/11/40/1120141140.db2.gz XQIOANRCSUZAJL-UHFFFAOYSA-N 0 1 250.194 3.892 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccccc2-n2ccnc2)oc1C ZINC000282305515 1120145174 /nfs/dbraw/zinc/14/51/74/1120145174.db2.gz SWCYSTVDJCEXHO-CQSZACIVSA-N 0 1 295.386 3.933 20 0 CHADMN CC[C@H](NCc1ccccc1CO)c1ccccc1F ZINC000542774620 1120145182 /nfs/dbraw/zinc/14/51/82/1120145182.db2.gz UPQVOBHYJJJLQE-KRWDZBQOSA-N 0 1 273.351 3.559 20 0 CHADMN CC(C)(CO)[C@H](NCC=C(Cl)Cl)c1ccccc1 ZINC000851994150 1120149138 /nfs/dbraw/zinc/14/91/38/1120149138.db2.gz WUNLYLGCFIKCBR-CYBMUJFWSA-N 0 1 288.218 3.655 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C)c(C)n1 ZINC000313801713 1120150802 /nfs/dbraw/zinc/15/08/02/1120150802.db2.gz GHAZGBYFAKBCBA-IBGZPJMESA-N 0 1 296.414 3.874 20 0 CHADMN CSc1cc(CNCc2cc(F)cc(Cl)c2)ccn1 ZINC000362530420 1120150913 /nfs/dbraw/zinc/15/09/13/1120150913.db2.gz WITPFRUVHWPYMI-UHFFFAOYSA-N 0 1 296.798 3.886 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(C)c(C)n2)cc1 ZINC000313897444 1120157022 /nfs/dbraw/zinc/15/70/22/1120157022.db2.gz GANCHKQKBCUHRC-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN FC(F)(F)c1nc(CNC[C@H]2Cc3ccccc32)cs1 ZINC000892929196 1120162591 /nfs/dbraw/zinc/16/25/91/1120162591.db2.gz MNXHXHGLASXKGF-SNVBAGLBSA-N 0 1 298.333 3.591 20 0 CHADMN F[C@H]1CN(Cc2c[nH]c3ccc(Cl)cc23)C[C@@H]2C[C@@H]21 ZINC001137708030 1120162883 /nfs/dbraw/zinc/16/28/83/1120162883.db2.gz FEPWDRFTEZITIY-WFBYXXMGSA-N 0 1 278.758 3.611 20 0 CHADMN Cc1cccc2nc(CNC(=O)C3CCCCCCC3)[nH]c21 ZINC000765904626 1120164061 /nfs/dbraw/zinc/16/40/61/1120164061.db2.gz FNLFVWYWUUADAT-UHFFFAOYSA-N 0 1 299.418 3.848 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC[C@H](C)C1 ZINC000302799107 1120164396 /nfs/dbraw/zinc/16/43/96/1120164396.db2.gz NWPANRZVAFOCJS-LSDHHAIUSA-N 0 1 288.435 3.869 20 0 CHADMN C[C@@H](c1nc(C2(C)CCCC2)no1)N1[C@H](C)CC[C@H]1C ZINC000624758437 1120165459 /nfs/dbraw/zinc/16/54/59/1120165459.db2.gz OWIWTNCWLXKVPJ-UPJWGTAASA-N 0 1 277.412 3.835 20 0 CHADMN CC/C=C/CNCc1ccsc1Br ZINC000388969855 1120165996 /nfs/dbraw/zinc/16/59/96/1120165996.db2.gz JOGPDEJUYORXGJ-ONEGZZNKSA-N 0 1 260.200 3.566 20 0 CHADMN Cn1ccc2c1nccc2N[C@H]1CCNc2ccccc21 ZINC001168651356 1120169062 /nfs/dbraw/zinc/16/90/62/1120169062.db2.gz YZROCVDIFPWLOH-HNNXBMFYSA-N 0 1 278.359 3.542 20 0 CHADMN C/C=C\CN[C@@H](C)c1ccccc1Br ZINC000308555016 1120170208 /nfs/dbraw/zinc/17/02/08/1120170208.db2.gz YYYBELAASZJGBB-XOULXFPDSA-N 0 1 254.171 3.676 20 0 CHADMN CC(C)(C)c1coc(CNC[C@@H]2CCc3ccccc32)n1 ZINC000921724817 1120173760 /nfs/dbraw/zinc/17/37/60/1120173760.db2.gz WCJJCLFLXXKGIW-AWEZNQCLSA-N 0 1 284.403 3.792 20 0 CHADMN C[C@@H](CCNC(=O)c1cccc(F)c1O)CC(C)(C)C ZINC001128123132 1120173799 /nfs/dbraw/zinc/17/37/99/1120173799.db2.gz IHWDFDFWSUIMDT-NSHDSACASA-N 0 1 281.371 3.724 20 0 CHADMN CC(C)(C)c1coc(CNC[C@H]2C[C@H]2c2ccccc2)n1 ZINC000921726577 1120175888 /nfs/dbraw/zinc/17/58/88/1120175888.db2.gz ZVNSNQWOQQSGGW-CABCVRRESA-N 0 1 284.403 3.865 20 0 CHADMN CCc1cc(=O)[nH]c(CN(C(C)C)[C@H](C)c2ccccc2)n1 ZINC000428837645 1120176503 /nfs/dbraw/zinc/17/65/03/1120176503.db2.gz FTBBTAKWLBDMNG-CQSZACIVSA-N 0 1 299.418 3.716 20 0 CHADMN Cc1nn(C)c(CN[C@@H](C)c2cccc(C)c2C)c1Cl ZINC000892949068 1120176532 /nfs/dbraw/zinc/17/65/32/1120176532.db2.gz JZDFVTJIUHIJMX-LBPRGKRZSA-N 0 1 291.826 3.850 20 0 CHADMN CCCC1CCN(Cc2cc(Cl)ccn2)CC1 ZINC000092416604 1120178183 /nfs/dbraw/zinc/17/81/83/1120178183.db2.gz VNKCIKQTBTZDFR-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN Cc1ccc(CNCc2cccc(C3CC3)c2)nc1C ZINC000314234093 1120178743 /nfs/dbraw/zinc/17/87/43/1120178743.db2.gz WKDQYTVXXRTJKQ-UHFFFAOYSA-N 0 1 266.388 3.866 20 0 CHADMN CC(C)n1cc([C@@H](C)NCc2ccc3c(c2)C[C@@H](C)O3)cn1 ZINC000921734957 1120178907 /nfs/dbraw/zinc/17/89/07/1120178907.db2.gz JFYHXXPMXBIJLK-ZIAGYGMSSA-N 0 1 299.418 3.638 20 0 CHADMN CC(C)n1cc([C@H](C)NCc2ccc3c(c2)C[C@H](C)O3)cn1 ZINC000921734948 1120179020 /nfs/dbraw/zinc/17/90/20/1120179020.db2.gz JFYHXXPMXBIJLK-KBPBESRZSA-N 0 1 299.418 3.638 20 0 CHADMN CCOc1cccc(CNCc2ccc3[nH]c(C)cc3c2)n1 ZINC000353126476 1120186136 /nfs/dbraw/zinc/18/61/36/1120186136.db2.gz MRYZOWLMUYECJS-UHFFFAOYSA-N 0 1 295.386 3.560 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(C(F)(F)F)cc1 ZINC000112837354 1120186745 /nfs/dbraw/zinc/18/67/45/1120186745.db2.gz OIFRMURBSCCYQZ-SNVBAGLBSA-N 0 1 297.324 3.598 20 0 CHADMN c1nn(C2CCC2)cc1CNCc1coc2ccccc12 ZINC000921740443 1120187950 /nfs/dbraw/zinc/18/79/50/1120187950.db2.gz LAHMKXVCFHBVGT-UHFFFAOYSA-N 0 1 281.359 3.644 20 0 CHADMN Cc1cncc([C@@H](C)NC2(c3ccc(F)cc3)CC2)c1 ZINC000343846891 1120188562 /nfs/dbraw/zinc/18/85/62/1120188562.db2.gz DNSGPUQQKYFJTD-CYBMUJFWSA-N 0 1 270.351 3.869 20 0 CHADMN Cc1cccnc1[C@H](NCc1cnn(C2CCC2)c1)C(C)C ZINC000921744501 1120193495 /nfs/dbraw/zinc/19/34/95/1120193495.db2.gz DPOYFCSYKKANJT-QGZVFWFLSA-N 0 1 298.434 3.798 20 0 CHADMN Cc1cccnc1[C@H](NCc1cccc2c1OCC2)C(C)C ZINC000921746042 1120195367 /nfs/dbraw/zinc/19/53/67/1120195367.db2.gz UTZOYMWBODODCR-QGZVFWFLSA-N 0 1 296.414 3.812 20 0 CHADMN Cc1ccc(CCNCc2nc(C(C)(C)C)co2)cc1 ZINC000921750387 1120196778 /nfs/dbraw/zinc/19/67/78/1120196778.db2.gz VNXBYSAXQXTGFS-UHFFFAOYSA-N 0 1 272.392 3.613 20 0 CHADMN Cc1cc(CNC2(c3cccc(Cl)c3)CC2)cnc1F ZINC000893009903 1120197270 /nfs/dbraw/zinc/19/72/70/1120197270.db2.gz VBHPWSHGXQEEDP-UHFFFAOYSA-N 0 1 290.769 3.961 20 0 CHADMN COc1cc(CN2CCC[C@H]2c2ccc(C)c(C)c2)on1 ZINC000659857383 1120197451 /nfs/dbraw/zinc/19/74/51/1120197451.db2.gz JKJZVTYNEGGRJJ-INIZCTEOSA-N 0 1 286.375 3.637 20 0 CHADMN CC(C)(NCc1ccnn1C1CCC1)c1cccc(F)c1 ZINC000921760712 1120200431 /nfs/dbraw/zinc/20/04/31/1120200431.db2.gz JMOHDKIGGZVIMB-UHFFFAOYSA-N 0 1 287.382 3.772 20 0 CHADMN COc1cccc(CN[C@H](C)c2cccs2)c1F ZINC000165803792 1120201584 /nfs/dbraw/zinc/20/15/84/1120201584.db2.gz IRQNENQHZLKOHG-SNVBAGLBSA-N 0 1 265.353 3.747 20 0 CHADMN Cc1nc(C[N@H+](CCc2ccc(F)cc2)CC(C)C)co1 ZINC000659860401 1120203718 /nfs/dbraw/zinc/20/37/18/1120203718.db2.gz ZUHRCXYWQFUAND-UHFFFAOYSA-N 0 1 290.382 3.823 20 0 CHADMN COc1cccc(CNCc2cccc(Cl)c2)c1F ZINC000165844931 1120204648 /nfs/dbraw/zinc/20/46/48/1120204648.db2.gz WPNXCDZJCKCJMA-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1ccc(OC(C)C)cc1 ZINC000073006940 1120206316 /nfs/dbraw/zinc/20/63/16/1120206316.db2.gz CFJJRQDNRHJKKP-GFCCVEGCSA-N 0 1 288.391 3.929 20 0 CHADMN CC[C@@H](N[C@@H](c1ccccn1)C1CC1)c1cccc(OC)n1 ZINC000926895495 1120211045 /nfs/dbraw/zinc/21/10/45/1120211045.db2.gz XATXVQCFEHXLPX-RDTXWAMCSA-N 0 1 297.402 3.677 20 0 CHADMN C[C@H](N[C@H](c1ccccn1)C1CC1)c1cc(O)cc(F)c1 ZINC000926895722 1120211963 /nfs/dbraw/zinc/21/19/63/1120211963.db2.gz HLIAHUWBCKSIAC-GTNSWQLSSA-N 0 1 286.350 3.728 20 0 CHADMN C[C@@H](CCC1CC1)NCc1occc1Br ZINC000308825068 1120214211 /nfs/dbraw/zinc/21/42/11/1120214211.db2.gz DKBJRNYIMMGUHR-VIFPVBQESA-N 0 1 272.186 3.710 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000338726419 1120216443 /nfs/dbraw/zinc/21/64/43/1120216443.db2.gz QNWZQGWJCKLQAS-GXTWGEPZSA-N 0 1 291.345 3.559 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@@H](n2cccn2)C1 ZINC000338726419 1120216447 /nfs/dbraw/zinc/21/64/47/1120216447.db2.gz QNWZQGWJCKLQAS-GXTWGEPZSA-N 0 1 291.345 3.559 20 0 CHADMN C[C@H](NC(=O)c1cccc(F)c1O)c1ccc(Cl)s1 ZINC001127646169 1128899270 /nfs/dbraw/zinc/89/92/70/1128899270.db2.gz KBUXBIVHRDHZKW-ZETCQYMHSA-N 0 1 299.754 3.737 20 0 CHADMN CC[C@@H](C)[N@@H+](CC)Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903904891 1120218236 /nfs/dbraw/zinc/21/82/36/1120218236.db2.gz PFDONVYVFXFQNZ-MRVPVSSYSA-N 0 1 293.285 3.617 20 0 CHADMN CC[C@@H](C)[C@@H](CNCc1nc(C(C)(C)C)cs1)OC ZINC000394460678 1120219712 /nfs/dbraw/zinc/21/97/12/1120219712.db2.gz UTOJBISJSPYMMM-VXGBXAGGSA-N 0 1 284.469 3.591 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2nc3ccc(F)cc3o2)CC1(C)C ZINC000545416892 1120224425 /nfs/dbraw/zinc/22/44/25/1120224425.db2.gz LXCJDAIFMUADDR-NSHDSACASA-N 0 1 276.355 3.835 20 0 CHADMN C[C@H]1CCN(Cc2nc3ccc(F)cc3o2)CC1(C)C ZINC000545416892 1120224434 /nfs/dbraw/zinc/22/44/34/1120224434.db2.gz LXCJDAIFMUADDR-NSHDSACASA-N 0 1 276.355 3.835 20 0 CHADMN C[C@H](NC1CSC1)c1cccc(Cl)c1Cl ZINC000308985201 1120225654 /nfs/dbraw/zinc/22/56/54/1120225654.db2.gz JLEUIGRWIZFHLT-ZETCQYMHSA-N 0 1 262.205 3.759 20 0 CHADMN Cc1ccc(C)n1C1CCN(Cc2cc(C3CC3)no2)CC1 ZINC000659870951 1120226421 /nfs/dbraw/zinc/22/64/21/1120226421.db2.gz ODYIZQMGTVGOSM-UHFFFAOYSA-N 0 1 299.418 3.807 20 0 CHADMN Cc1cc(Cl)cc(CN[C@@](C)(CO)c2ccccc2)c1 ZINC000395260109 1120228314 /nfs/dbraw/zinc/22/83/14/1120228314.db2.gz ILSCKBXKFYYPNK-KRWDZBQOSA-N 0 1 289.806 3.646 20 0 CHADMN CN(Cc1ccc2c(c1)OCO2)Cc1cccc(Cl)c1 ZINC000061778988 1120230216 /nfs/dbraw/zinc/23/02/16/1120230216.db2.gz PBHBMIHLBIWARJ-UHFFFAOYSA-N 0 1 289.762 3.701 20 0 CHADMN CCOc1ccccc1CN(C)Cc1cccc(F)c1 ZINC000061780523 1120230304 /nfs/dbraw/zinc/23/03/04/1120230304.db2.gz DWARDPCIJJYKAY-UHFFFAOYSA-N 0 1 273.351 3.856 20 0 CHADMN CN(Cc1ccc(-n2cccn2)cc1)Cc1ccccc1F ZINC000061802936 1120230347 /nfs/dbraw/zinc/23/03/47/1120230347.db2.gz WBMKWOBJASEYIT-UHFFFAOYSA-N 0 1 295.361 3.643 20 0 CHADMN COc1ccccc1[C@H](C)NCc1ccc([C@@H](C)O)cc1 ZINC000178548565 1120231949 /nfs/dbraw/zinc/23/19/49/1120231949.db2.gz IIGRCWBHLPBAPF-UONOGXRCSA-N 0 1 285.387 3.599 20 0 CHADMN CC(F)(F)c1cccc(NC(=O)c2cccc(F)c2O)c1 ZINC001128156237 1120238933 /nfs/dbraw/zinc/23/89/33/1120238933.db2.gz RARPNQLNEXQVFR-UHFFFAOYSA-N 0 1 295.260 3.895 20 0 CHADMN CC(C)[C@@H](NCc1ccc[nH]c1=O)c1ccccc1Cl ZINC000624258682 1120240073 /nfs/dbraw/zinc/24/00/73/1120240073.db2.gz QNQIVRZQKAVDRL-OAHLLOKOSA-N 0 1 290.794 3.928 20 0 CHADMN Fc1cccc([C@H]2CCN(Cc3cc(C4CC4)no3)C2)c1 ZINC000659881903 1120247511 /nfs/dbraw/zinc/24/75/11/1120247511.db2.gz VKOIIQQVXCUOGW-AWEZNQCLSA-N 0 1 286.350 3.681 20 0 CHADMN CC(C)[C@H](N)c1noc(Cc2csc3ccccc23)n1 ZINC000843148848 1120248978 /nfs/dbraw/zinc/24/89/78/1120248978.db2.gz YGADPDGWZUUHFS-AWEZNQCLSA-N 0 1 287.388 3.531 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H](C)SCc2ccccc2)n1 ZINC000843148827 1120249047 /nfs/dbraw/zinc/24/90/47/1120249047.db2.gz XONRIJYJVRBTCB-YPMHNXCESA-N 0 1 291.420 3.720 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1n[nH]c(C(C)C)n1)CC2 ZINC000271460880 1120253617 /nfs/dbraw/zinc/25/36/17/1120253617.db2.gz HHHTZRZWTKCKDE-DOMZBBRYSA-N 0 1 284.407 3.575 20 0 CHADMN CC(C)[C@H](N)c1noc(CSc2ccc(Cl)cc2)n1 ZINC000843150500 1120255286 /nfs/dbraw/zinc/25/52/86/1120255286.db2.gz JMIFGGINLJJFGL-LBPRGKRZSA-N 0 1 297.811 3.671 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@@H](C)CSc2ccccc2)n1 ZINC000843150915 1120255744 /nfs/dbraw/zinc/25/57/44/1120255744.db2.gz WMQZRPXPPGMPQL-WCQYABFASA-N 0 1 291.420 3.621 20 0 CHADMN CC(C)(C)c1coc(CN[C@H]2CCOC3(CCCC3)C2)n1 ZINC000921860652 1120256998 /nfs/dbraw/zinc/25/69/98/1120256998.db2.gz TTZJGGZJQIYNPF-ZDUSSCGKSA-N 0 1 292.423 3.554 20 0 CHADMN CCc1cnc(CN2CC[C@@H](c3ccccc3)[C@H](C)C2)o1 ZINC000075768412 1120266293 /nfs/dbraw/zinc/26/62/93/1120266293.db2.gz ZLRGWTOZZXYGDL-RHSMWYFYSA-N 0 1 284.403 3.863 20 0 CHADMN CCCCO[C@@H]1C[C@@H](N(C)Cc2oc(C)nc2C)C1(C)C ZINC000685568785 1120269600 /nfs/dbraw/zinc/26/96/00/1120269600.db2.gz ZIANSPMCNPOVLB-HZPDHXFCSA-N 0 1 294.439 3.707 20 0 CHADMN CC(C)(C)c1[nH]ncc1C(=O)Nc1cc(F)cc(Cl)c1 ZINC000416181501 1120283595 /nfs/dbraw/zinc/28/35/95/1120283595.db2.gz WRPRABILBNALFL-UHFFFAOYSA-N 0 1 295.745 3.752 20 0 CHADMN CCC[N@@H+](CCc1cccc(F)c1)Cc1nc(C)oc1C ZINC000659929129 1120291714 /nfs/dbraw/zinc/29/17/14/1120291714.db2.gz QCLVMRNLBFRRKN-UHFFFAOYSA-N 0 1 290.382 3.885 20 0 CHADMN CCCN(CCc1cccc(F)c1)Cc1nc(C)oc1C ZINC000659929129 1120291718 /nfs/dbraw/zinc/29/17/18/1120291718.db2.gz QCLVMRNLBFRRKN-UHFFFAOYSA-N 0 1 290.382 3.885 20 0 CHADMN CC1CCC(N(Cc2nccn2C(F)F)C2CC2)CC1 ZINC000076746064 1120295355 /nfs/dbraw/zinc/29/53/55/1120295355.db2.gz YANZIZMFMDGGJM-UHFFFAOYSA-N 0 1 283.366 3.821 20 0 CHADMN CCOCCN(CC)Cc1cc(-c2ccc(C)cc2)no1 ZINC000107679085 1120295585 /nfs/dbraw/zinc/29/55/85/1120295585.db2.gz VNVBROKVZQLBTK-UHFFFAOYSA-N 0 1 288.391 3.508 20 0 CHADMN CCN(Cc1cncc(F)c1)Cc1ccccc1C ZINC000274373698 1120299034 /nfs/dbraw/zinc/29/90/34/1120299034.db2.gz QXDZHISTMKSFON-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN CC(C)c1cc(C(=O)N(C)[C@H]2CCC[C@@H]2C(C)(C)C)n[nH]1 ZINC000416298223 1120307897 /nfs/dbraw/zinc/30/78/97/1120307897.db2.gz YLSTZASQXRGNOC-WFASDCNBSA-N 0 1 291.439 3.820 20 0 CHADMN CC[C@H](CC(F)F)CN1CCOC[C@@H]1c1ccccc1 ZINC000659968145 1120315837 /nfs/dbraw/zinc/31/58/37/1120315837.db2.gz AKRVNNTURCCNDY-UKRRQHHQSA-N 0 1 283.362 3.741 20 0 CHADMN C[C@@H]1c2ccccc2CN1CCOCc1ccccc1 ZINC000659977043 1120318770 /nfs/dbraw/zinc/31/87/70/1120318770.db2.gz JEGYBEZBORYQLD-OAHLLOKOSA-N 0 1 267.372 3.780 20 0 CHADMN Cc1cccc([C@H]2CCCCN2Cc2cn(C)cn2)c1C ZINC000659976204 1120319700 /nfs/dbraw/zinc/31/97/00/1120319700.db2.gz RHTQTMJXGXQNHF-GOSISDBHSA-N 0 1 283.419 3.764 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000629361109 1128907859 /nfs/dbraw/zinc/90/78/59/1128907859.db2.gz CWKBZVRRCNXOIV-VYDXJSESSA-N 0 1 281.440 3.780 20 0 CHADMN CC(C)CCN(C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000077211664 1120320288 /nfs/dbraw/zinc/32/02/88/1120320288.db2.gz SGZGHDAXNIGFIS-ZDUSSCGKSA-N 0 1 273.380 3.776 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000629363018 1128907962 /nfs/dbraw/zinc/90/79/62/1128907962.db2.gz FKBXHXHMISOORG-CABCVRRESA-N 0 1 269.429 3.780 20 0 CHADMN CCc1ncc(CN2CC(Cc3cccc(C)c3)C2)s1 ZINC000656648157 1120322568 /nfs/dbraw/zinc/32/25/68/1120322568.db2.gz FPXMCFOSJLGESZ-UHFFFAOYSA-N 0 1 286.444 3.688 20 0 CHADMN FC(F)c1ccc(CNCc2cnn(C3CCC3)c2)cc1 ZINC000921999159 1120326448 /nfs/dbraw/zinc/32/64/48/1120326448.db2.gz BEEPGSUFGYVMLT-UHFFFAOYSA-N 0 1 291.345 3.836 20 0 CHADMN c1coc([C@H]2CN(CC[C@H]3CCc4ccccc43)CCO2)c1 ZINC000659994332 1120330465 /nfs/dbraw/zinc/33/04/65/1120330465.db2.gz QRCMRMJPQOXRQB-VQIMIIECSA-N 0 1 297.398 3.773 20 0 CHADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000387886539 1120332718 /nfs/dbraw/zinc/33/27/18/1120332718.db2.gz QGFZMXZEIOBFHS-RDTXWAMCSA-N 0 1 295.382 3.649 20 0 CHADMN c1coc([C@@H]2CCN(Cc3ccn(C4CCCC4)n3)C2)c1 ZINC000363840722 1120334165 /nfs/dbraw/zinc/33/41/65/1120334165.db2.gz GLEVKKFQBSSCFE-CQSZACIVSA-N 0 1 285.391 3.581 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCO[C@@](C)(c2ccccc2)C1 ZINC000660001684 1120335640 /nfs/dbraw/zinc/33/56/40/1120335640.db2.gz CFLQIEFVYADPEW-WMLDXEAASA-N 0 1 297.389 3.915 20 0 CHADMN C1=C[C@H]2CC[C@@H](C1)N2Cc1ccc2c(c1)OCCCCO2 ZINC000648384632 1120336090 /nfs/dbraw/zinc/33/60/90/1120336090.db2.gz JTPXBRZUOQOZCP-JKSUJKDBSA-N 0 1 285.387 3.531 20 0 CHADMN COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2cncs2)c1 ZINC000363847203 1120336682 /nfs/dbraw/zinc/33/66/82/1120336682.db2.gz MLIJMWYITFLHAE-LRDDRELGSA-N 0 1 288.416 3.735 20 0 CHADMN COc1cccc([C@@H]2C[C@H](C)CN2Cc2cncs2)c1 ZINC000363847203 1120336687 /nfs/dbraw/zinc/33/66/87/1120336687.db2.gz MLIJMWYITFLHAE-LRDDRELGSA-N 0 1 288.416 3.735 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000629375020 1128909167 /nfs/dbraw/zinc/90/91/67/1128909167.db2.gz AGCNYFGAZNHBIS-VMDGIJPJSA-N 0 1 291.366 3.630 20 0 CHADMN FC(F)[C@@H](CCc1ccccc1)NC[C@H]1CCCSC1 ZINC000672618361 1120338539 /nfs/dbraw/zinc/33/85/39/1120338539.db2.gz UKJRVOMOVOALRU-HUUCEWRRSA-N 0 1 299.430 3.986 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2c2cc(C)ccc2C)co1 ZINC000660006401 1120338861 /nfs/dbraw/zinc/33/88/61/1120338861.db2.gz YDZZNSOZZQSLSX-QGZVFWFLSA-N 0 1 270.376 3.937 20 0 CHADMN CCCN[C@@H](C)c1nc([C@H](C)c2ccccc2C)no1 ZINC000843192979 1120343051 /nfs/dbraw/zinc/34/30/51/1120343051.db2.gz JUIAZLMVUHGZKV-OLZOCXBDSA-N 0 1 273.380 3.590 20 0 CHADMN CO[C@H](CN[C@@H](c1ccccc1)c1ccccn1)C1CCC1 ZINC000660021379 1120344296 /nfs/dbraw/zinc/34/42/96/1120344296.db2.gz MKWQXYDEWPKSOX-MOPGFXCFSA-N 0 1 296.414 3.576 20 0 CHADMN Fc1ccc([C@H](NC2CSC2)c2cccs2)cc1 ZINC000679627216 1120351292 /nfs/dbraw/zinc/35/12/92/1120351292.db2.gz IIHIWOIKFYQLBW-AWEZNQCLSA-N 0 1 279.405 3.682 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCC2(C1)CCCCC2 ZINC000312322285 1120357747 /nfs/dbraw/zinc/35/77/47/1120357747.db2.gz HMDNKKPTVBBIGD-UHFFFAOYSA-N 0 1 293.432 3.911 20 0 CHADMN COc1ccc(CN[C@@H]2c3ccccc3CC[C@H]2C)o1 ZINC000893269260 1120363133 /nfs/dbraw/zinc/36/31/33/1120363133.db2.gz MVTNZTJDLUDGBJ-PXAZEXFGSA-N 0 1 271.360 3.701 20 0 CHADMN C[C@@H](NCc1ccnn1C1CCC1)c1ccsc1 ZINC000922107971 1120369080 /nfs/dbraw/zinc/36/90/80/1120369080.db2.gz KTCIWLPWFVATDB-LLVKDONJSA-N 0 1 261.394 3.520 20 0 CHADMN C[C@H](NCc1ccnn1C1CCC1)c1ccsc1 ZINC000922107972 1120369099 /nfs/dbraw/zinc/36/90/99/1120369099.db2.gz KTCIWLPWFVATDB-NSHDSACASA-N 0 1 261.394 3.520 20 0 CHADMN C[C@@H]1C[C@@H](CCNCc2nc(C(C)(C)C)co2)C[C@H](C)O1 ZINC000922110514 1120370031 /nfs/dbraw/zinc/37/00/31/1120370031.db2.gz CYWRIEBVTQLEIP-BTTYYORXSA-N 0 1 294.439 3.655 20 0 CHADMN Cc1occc1C[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000191269984 1128912444 /nfs/dbraw/zinc/91/24/44/1128912444.db2.gz DWCIBCIENYLOBV-UHFFFAOYSA-N 0 1 283.730 3.718 20 0 CHADMN c1cc(-c2noc(CN3CCC[C@@]4(CC=CCC4)C3)n2)co1 ZINC000114494131 1120385069 /nfs/dbraw/zinc/38/50/69/1120385069.db2.gz UZHXCTDHSAXTRS-KRWDZBQOSA-N 0 1 299.374 3.652 20 0 CHADMN CN(Cc1nc2ccccc2s1)[C@@H]1C=CCCC1 ZINC000066473493 1120396144 /nfs/dbraw/zinc/39/61/44/1120396144.db2.gz OYZCGADTMVQXAB-GFCCVEGCSA-N 0 1 258.390 3.837 20 0 CHADMN Cc1ncc([C@@H](C)N2Cc3ccccc3C3(CC3)C2)c(C)n1 ZINC000682075903 1120408088 /nfs/dbraw/zinc/40/80/88/1120408088.db2.gz ZGFUWYBNTWGCMX-CQSZACIVSA-N 0 1 293.414 3.702 20 0 CHADMN Cc1cccc(C2=CCN(CCO[C@@H]3CC3(F)F)CC2)c1 ZINC000660167141 1120411053 /nfs/dbraw/zinc/41/10/53/1120411053.db2.gz ZISNULUQVSUKKS-MRXNPFEDSA-N 0 1 293.357 3.508 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H](C)c1cncs1 ZINC000274452170 1120420087 /nfs/dbraw/zinc/42/00/87/1120420087.db2.gz YYWZEJQIJDKRRL-JQWIXIFHSA-N 0 1 292.452 3.815 20 0 CHADMN C[C@@H](CC(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccsc2)cc1 ZINC000584731963 1120422608 /nfs/dbraw/zinc/42/26/08/1120422608.db2.gz ZJXNBYZWZORSHP-LBPRGKRZSA-N 0 1 289.400 3.710 20 0 CHADMN CC1(C)Cc2cccc(NCc3[nH]nc4ccccc43)c2O1 ZINC000682733217 1120423887 /nfs/dbraw/zinc/42/38/87/1120423887.db2.gz UKJHGYVJNBUAFL-UHFFFAOYSA-N 0 1 293.370 3.889 20 0 CHADMN COc1cc(CNCc2ccoc2C)ccc1OC(C)C ZINC000067218192 1120433093 /nfs/dbraw/zinc/43/30/93/1120433093.db2.gz SVXUKFZSAFOMTI-UHFFFAOYSA-N 0 1 289.375 3.674 20 0 CHADMN Oc1ccc2c(c1)CCN(Cc1ccsc1Cl)CC2 ZINC000682995917 1120433225 /nfs/dbraw/zinc/43/32/25/1120433225.db2.gz VBZMDEBVZBVXBD-UHFFFAOYSA-N 0 1 293.819 3.708 20 0 CHADMN Cc1ccnc(CN2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000683004854 1120433876 /nfs/dbraw/zinc/43/38/76/1120433876.db2.gz LQIPUXBKWZWZBP-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Oc1cccc2c1CCC[C@H]2N[C@@H]1COCc2ccccc21 ZINC000417356280 1120434511 /nfs/dbraw/zinc/43/45/11/1120434511.db2.gz FGJGVNDQFTYPHE-QZTJIDSGSA-N 0 1 295.382 3.631 20 0 CHADMN CCn1nc(C)c(CN(C)Cc2ccc(C)c(F)c2)c1C ZINC000683001041 1120434689 /nfs/dbraw/zinc/43/46/89/1120434689.db2.gz NDIYZKXEQQXLPH-UHFFFAOYSA-N 0 1 289.398 3.599 20 0 CHADMN COCc1csc(CNCc2ccc([C@H]3C[C@@H]3C)o2)c1 ZINC000657319463 1120434985 /nfs/dbraw/zinc/43/49/85/1120434985.db2.gz ZRUKNWLSKYDRAY-NHYWBVRUSA-N 0 1 291.416 3.901 20 0 CHADMN C[C@@H](N[C@H]1COCc2ccccc21)c1ccc2c(c1)COC2 ZINC000417366139 1120438398 /nfs/dbraw/zinc/43/83/98/1120438398.db2.gz ONYGFCOSZFIIRT-YJYMSZOUSA-N 0 1 295.382 3.639 20 0 CHADMN CO[C@@H](CN[C@H](c1ccccc1)c1ccccn1)CC(C)C ZINC000417366950 1120438431 /nfs/dbraw/zinc/43/84/31/1120438431.db2.gz NLIMLXSVVXQCMB-IEBWSBKVSA-N 0 1 298.430 3.822 20 0 CHADMN C[C@H](NCCO[C@H]1CC1(F)F)c1c(F)cccc1Cl ZINC000660200297 1120438506 /nfs/dbraw/zinc/43/85/06/1120438506.db2.gz IFNPFPBDDMVQOT-KWQFWETISA-N 0 1 293.716 3.554 20 0 CHADMN C[C@H](NCCO[C@@H]1CC1(F)F)c1c(F)cccc1Cl ZINC000660200295 1120438941 /nfs/dbraw/zinc/43/89/41/1120438941.db2.gz IFNPFPBDDMVQOT-GZMMTYOYSA-N 0 1 293.716 3.554 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000318984277 1120439714 /nfs/dbraw/zinc/43/97/14/1120439714.db2.gz JHCRTUPKRFNNFO-IIAWOOMASA-N 0 1 297.398 3.943 20 0 CHADMN Cc1ccc(OC[C@@H](C)N[C@@H](C)c2cscn2)cc1 ZINC000162396818 1120439895 /nfs/dbraw/zinc/43/98/95/1120439895.db2.gz LEMLCKTUDYJIOA-OLZOCXBDSA-N 0 1 276.405 3.570 20 0 CHADMN CC(C)[C@H](N[C@@H]1COCc2ccccc21)c1cccnc1 ZINC000417371349 1120440072 /nfs/dbraw/zinc/44/00/72/1120440072.db2.gz VJFLEYSYDCJOQI-MSOLQXFVSA-N 0 1 282.387 3.640 20 0 CHADMN COC/C(C)=C/C[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000930827858 1120441757 /nfs/dbraw/zinc/44/17/57/1120441757.db2.gz WWQSUFWYFHMWFZ-GANRHZMWSA-N 0 1 283.415 3.972 20 0 CHADMN Fc1cccc(CCN2CCC[C@H]2c2ccc[nH]2)c1F ZINC000543140265 1120442256 /nfs/dbraw/zinc/44/22/56/1120442256.db2.gz RAPPIIBRBOSCSR-HNNXBMFYSA-N 0 1 276.330 3.673 20 0 CHADMN CS[C@@H](C)CN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000925602015 1120442803 /nfs/dbraw/zinc/44/28/03/1120442803.db2.gz PJQKRYZCSDDQSI-YOEHRIQHSA-N 0 1 286.444 3.821 20 0 CHADMN CC(C)C(NCc1ncsc1Br)C(C)C ZINC000660212777 1120444970 /nfs/dbraw/zinc/44/49/70/1120444970.db2.gz MLIMWTZHTYROPU-UHFFFAOYSA-N 0 1 291.258 3.676 20 0 CHADMN COc1cccc2c1CCN([C@@H]1CCc3ccc(F)cc31)C2 ZINC000584800917 1120450982 /nfs/dbraw/zinc/45/09/82/1120450982.db2.gz HTPVCNJKOGMIAD-GOSISDBHSA-N 0 1 297.373 3.880 20 0 CHADMN CC(C)(C)[C@@H]1CCCN1Cc1cncc(Br)c1 ZINC000543206374 1120464455 /nfs/dbraw/zinc/46/44/55/1120464455.db2.gz VPCNCCLLBUJXMZ-ZDUSSCGKSA-N 0 1 297.240 3.855 20 0 CHADMN CCc1nnc([C@H](C)[N@H+]2CC[C@H](c3cc(C)cc(C)c3)C2)[nH]1 ZINC000660249234 1120464608 /nfs/dbraw/zinc/46/46/08/1120464608.db2.gz OABYAGFBNNSBJX-GJZGRUSLSA-N 0 1 298.434 3.534 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@H](c3cc(C)cc(C)c3)C2)[nH]1 ZINC000660249234 1120464610 /nfs/dbraw/zinc/46/46/10/1120464610.db2.gz OABYAGFBNNSBJX-GJZGRUSLSA-N 0 1 298.434 3.534 20 0 CHADMN CCOc1ccccc1CCN[C@H](C)c1csc(C)n1 ZINC000358119775 1120466419 /nfs/dbraw/zinc/46/64/19/1120466419.db2.gz CBNURQCIGFQQKM-GFCCVEGCSA-N 0 1 290.432 3.744 20 0 CHADMN C[C@H](NCc1ccc(F)nc1)c1cccc(OC(F)F)c1 ZINC000188991524 1120471117 /nfs/dbraw/zinc/47/11/17/1120471117.db2.gz ZLANBDNHYIZHMU-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN Cc1ccc([C@@H](c2noc(CNCC3CC3)n2)C(C)C)cc1 ZINC000843231291 1120471242 /nfs/dbraw/zinc/47/12/42/1120471242.db2.gz ZHYKQEIFGOOWFT-KRWDZBQOSA-N 0 1 299.418 3.666 20 0 CHADMN CC[C@@H]1C[C@H]1CN[C@H](Cc1ccccc1)c1ncco1 ZINC000930895081 1120471672 /nfs/dbraw/zinc/47/16/72/1120471672.db2.gz RDXDDKCYGPYTIB-OWCLPIDISA-N 0 1 270.376 3.594 20 0 CHADMN Cc1cccc([C@@H]2CCN(Cc3cn4ccsc4n3)C2)c1 ZINC000543245105 1120473323 /nfs/dbraw/zinc/47/33/23/1120473323.db2.gz BTFVHPLZQUWERL-OAHLLOKOSA-N 0 1 297.427 3.694 20 0 CHADMN CCc1[nH]nc(Cl)c1CN[C@@H]1CCc2ccc(C)cc21 ZINC000922219159 1120475928 /nfs/dbraw/zinc/47/59/28/1120475928.db2.gz RBODIXYBVANYOZ-OAHLLOKOSA-N 0 1 289.810 3.711 20 0 CHADMN C[C@H](NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1noc(-c2ccccc2)n1 ZINC000660269469 1120476103 /nfs/dbraw/zinc/47/61/03/1120476103.db2.gz NNAVZCXNOIYSMU-XNISGKROSA-N 0 1 297.402 3.823 20 0 CHADMN C[C@H]1C[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)CCC1(F)F ZINC001168714886 1120478824 /nfs/dbraw/zinc/47/88/24/1120478824.db2.gz DRZUQXBXPUKHBN-CMPLNLGQSA-N 0 1 285.765 3.784 20 0 CHADMN Cc1nnc([C@H](C)NCC[C@@H]2CCc3ccccc32)s1 ZINC000660280114 1120480376 /nfs/dbraw/zinc/48/03/76/1120480376.db2.gz MTGKHBAVRRSVCG-FZMZJTMJSA-N 0 1 287.432 3.617 20 0 CHADMN Cc1nc(C)c(CN(Cc2ccsc2)C(C)(C)C)[nH]1 ZINC000930922383 1120481036 /nfs/dbraw/zinc/48/10/36/1120481036.db2.gz JKVKFYYHIKTUIK-UHFFFAOYSA-N 0 1 277.437 3.889 20 0 CHADMN Clc1n[nH]c(C2CC2)c1CN[C@@H]1CCc2ccccc21 ZINC000922246272 1120483321 /nfs/dbraw/zinc/48/33/21/1120483321.db2.gz MDCIUWTZARYFOE-CQSZACIVSA-N 0 1 287.794 3.718 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2occc2C(C)C)no1 ZINC000843235378 1120489487 /nfs/dbraw/zinc/48/94/87/1120489487.db2.gz BSQIUNMMGFLYBK-JTQLQIEISA-N 0 1 263.341 3.514 20 0 CHADMN Cc1cc(C(=O)N(CC(C)C)[C@H](C)c2ccccc2C)n[nH]1 ZINC000673460739 1120498393 /nfs/dbraw/zinc/49/83/93/1120498393.db2.gz SKXYENIQYBKLFG-OAHLLOKOSA-N 0 1 299.418 3.886 20 0 CHADMN Cc1cc([C@@H]2CCCN2c2ccnc3ccccc32)no1 ZINC000364205010 1120503359 /nfs/dbraw/zinc/50/33/59/1120503359.db2.gz DOMNFVMTIILTKJ-KRWDZBQOSA-N 0 1 279.343 3.873 20 0 CHADMN Cc1scc(CNCc2ccnn2C2CCC2)c1C ZINC000922302796 1120505396 /nfs/dbraw/zinc/50/53/96/1120505396.db2.gz RVNYQJDTZWBUSX-UHFFFAOYSA-N 0 1 275.421 3.576 20 0 CHADMN COc1cc(C)cc(OC)c1CN1CC2(C1)CCCCC2 ZINC001143143889 1120506702 /nfs/dbraw/zinc/50/67/02/1120506702.db2.gz BLMDSCNCCIIADR-UHFFFAOYSA-N 0 1 289.419 3.778 20 0 CHADMN Cc1ccc(CNc2cc(OCC(F)(F)F)ccn2)o1 ZINC001161771308 1120510224 /nfs/dbraw/zinc/51/02/24/1120510224.db2.gz UNHNHCBYSWWRCH-UHFFFAOYSA-N 0 1 286.253 3.536 20 0 CHADMN Fc1ccc(/C=C/CN[C@H]2COc3ccc(F)cc32)cc1 ZINC000466465128 1120515269 /nfs/dbraw/zinc/51/52/69/1120515269.db2.gz UCBGDBFPRQRBLQ-PYKQWIPUSA-N 0 1 287.309 3.701 20 0 CHADMN CC(C)(C)c1coc(CNCC[C@H]2CCCC2(F)F)n1 ZINC000922331172 1120515621 /nfs/dbraw/zinc/51/56/21/1120515621.db2.gz CLJWORRJHXKNQH-LLVKDONJSA-N 0 1 286.366 3.887 20 0 CHADMN c1csc([C@@H](Cc2ccccc2)NCc2ccno2)c1 ZINC000543450423 1120526947 /nfs/dbraw/zinc/52/69/47/1120526947.db2.gz GVUJLKXGKBDYQE-OAHLLOKOSA-N 0 1 284.384 3.810 20 0 CHADMN CCOc1nnc(CN[C@@H](C)[C@H](C)C2CCCCC2)s1 ZINC000543463908 1120527662 /nfs/dbraw/zinc/52/76/62/1120527662.db2.gz XEUQRQMNEAQCEE-RYUDHWBXSA-N 0 1 297.468 3.631 20 0 CHADMN C[C@@H](O)[C@H](N[C@@H](C)c1ccccc1F)c1ccccc1 ZINC000657818975 1120529368 /nfs/dbraw/zinc/52/93/68/1120529368.db2.gz PHZZMSYTJFXEPF-AHIWAGSCSA-N 0 1 273.351 3.598 20 0 CHADMN CCN(C(=O)c1ccc(O)c(Cl)c1)C1CCCCC1 ZINC000019839472 1120529475 /nfs/dbraw/zinc/52/94/75/1120529475.db2.gz ZNMUCLXQWJZGEV-UHFFFAOYSA-N 0 1 281.783 3.840 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@@H]2c3ccccc3CC[C@H]2C)nn1 ZINC000925658431 1120529824 /nfs/dbraw/zinc/52/98/24/1120529824.db2.gz UCIRXQSTTGKKQS-GLJUWKHASA-N 0 1 298.434 3.833 20 0 CHADMN Cc1cccc(NC(=O)c2ccc(Cl)cc2O)c1C ZINC000019840424 1120530879 /nfs/dbraw/zinc/53/08/79/1120530879.db2.gz INBOPIOUNNFPGZ-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(C)c(C)o2)cc1 ZINC000282358383 1120532519 /nfs/dbraw/zinc/53/25/19/1120532519.db2.gz WBNWZNCEJINOQW-GFCCVEGCSA-N 0 1 259.349 3.756 20 0 CHADMN C[C@@H](CO)[N@@H+](Cc1ccsc1Cl)C1CCCC1 ZINC000660369131 1120539746 /nfs/dbraw/zinc/53/97/46/1120539746.db2.gz ZNSOMKXIOAYQGR-JTQLQIEISA-N 0 1 273.829 3.527 20 0 CHADMN C[C@@H](CO)N(Cc1ccsc1Cl)C1CCCC1 ZINC000660369131 1120539748 /nfs/dbraw/zinc/53/97/48/1120539748.db2.gz ZNSOMKXIOAYQGR-JTQLQIEISA-N 0 1 273.829 3.527 20 0 CHADMN Fc1ccc(/C=C/CNCc2nc3c(s2)CCC3)cc1 ZINC000922471545 1120542642 /nfs/dbraw/zinc/54/26/42/1120542642.db2.gz VVFKRSVHJNYMQZ-NSCUHMNNSA-N 0 1 288.391 3.574 20 0 CHADMN COc1ccc(OC)c([C@H](C)NCc2ccc(F)cc2)c1 ZINC000019943823 1120552861 /nfs/dbraw/zinc/55/28/61/1120552861.db2.gz BSJNFSZJQABVEX-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN Cc1sccc1CN[C@H](c1ccccn1)C1CC1 ZINC000922585116 1120557251 /nfs/dbraw/zinc/55/72/51/1120557251.db2.gz QOLWQLMYELIOSS-HNNXBMFYSA-N 0 1 258.390 3.692 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccn2)C2CC2)ccc1F ZINC000922585902 1120558787 /nfs/dbraw/zinc/55/87/87/1120558787.db2.gz ITRPNEIWKOVZJA-QGZVFWFLSA-N 0 1 270.351 3.770 20 0 CHADMN Cc1nc2cc(CNc3nc(C)ccc3C)ccc2o1 ZINC001167755656 1120559080 /nfs/dbraw/zinc/55/90/80/1120559080.db2.gz ACUMGTUNPDAFAX-UHFFFAOYSA-N 0 1 267.332 3.760 20 0 CHADMN CSCCN1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347724122 1120559951 /nfs/dbraw/zinc/55/99/51/1120559951.db2.gz GBJMNZPLZKZWGT-ZDUSSCGKSA-N 0 1 295.839 3.716 20 0 CHADMN C[C@H](CCCC(F)(F)F)N[C@H]1CCCC1(F)F ZINC000398038536 1120560400 /nfs/dbraw/zinc/56/04/00/1120560400.db2.gz QVQQMUJVPFJMPN-BDAKNGLRSA-N 0 1 259.262 3.885 20 0 CHADMN Cc1nc2cc(CNc3ccc4[nH]cnc4c3C)ccc2o1 ZINC001167756985 1120561863 /nfs/dbraw/zinc/56/18/63/1120561863.db2.gz POUNFXRKLIDSOE-UHFFFAOYSA-N 0 1 292.342 3.933 20 0 CHADMN CCOc1ccccc1[C@H](CC)N[C@H]1CCCn2nccc21 ZINC000657865591 1120562430 /nfs/dbraw/zinc/56/24/30/1120562430.db2.gz UVTQOHOETDJUKK-HOTGVXAUSA-N 0 1 299.418 3.858 20 0 CHADMN CC[C@H](NCc1cccnc1C)c1cc(F)ccc1OC ZINC000922622926 1120565589 /nfs/dbraw/zinc/56/55/89/1120565589.db2.gz SKBMLQATIUDIPD-INIZCTEOSA-N 0 1 288.366 3.779 20 0 CHADMN FC(F)(F)c1ccc(C2(NCc3cncs3)CC2)cc1 ZINC000652042601 1120568595 /nfs/dbraw/zinc/56/85/95/1120568595.db2.gz ALQSECLDFGSRFJ-UHFFFAOYSA-N 0 1 298.333 3.941 20 0 CHADMN Cn1cnc(CNC(C)(C)c2ccc(C(C)(C)C)cc2)c1 ZINC000673605343 1120572956 /nfs/dbraw/zinc/57/29/56/1120572956.db2.gz WIHSTKDCZKEFJE-UHFFFAOYSA-N 0 1 285.435 3.743 20 0 CHADMN COc1ccc([C@H](C)NCc2cccnc2Cl)cc1C ZINC000922672073 1120575538 /nfs/dbraw/zinc/57/55/38/1120575538.db2.gz KYGJUGGFXLHOSH-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN COc1ccc([C@H](C)NCc2cncc(Cl)c2)cc1C ZINC000922674302 1120578941 /nfs/dbraw/zinc/57/89/41/1120578941.db2.gz ICYZKRMZDBQAKA-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CC(C)c1nc(CN(C)c2ccccc2C(C)C)n[nH]1 ZINC000428953512 1120583887 /nfs/dbraw/zinc/58/38/87/1120583887.db2.gz GLAUJAHRBZFUAX-UHFFFAOYSA-N 0 1 272.396 3.688 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2nc(C3CC3)cs2)C1 ZINC000429577981 1120585829 /nfs/dbraw/zinc/58/58/29/1120585829.db2.gz HLQIXKYNHCTKHA-JQWIXIFHSA-N 0 1 250.411 3.641 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H](C(C)(C)C)C[C@H]2C)n[nH]1 ZINC000428957625 1120586477 /nfs/dbraw/zinc/58/64/77/1120586477.db2.gz AHLUPHNSHRBDDJ-CHWSQXEVSA-N 0 1 278.444 3.575 20 0 CHADMN c1c(CN[C@H](c2ccccc2)C2CCCC2)nn2c1CCC2 ZINC000649559558 1128926212 /nfs/dbraw/zinc/92/62/12/1128926212.db2.gz HDHXTEIVLFWTRB-LJQANCHMSA-N 0 1 295.430 3.850 20 0 CHADMN C[C@H]1CCN(Cc2nsc3ccccc32)CCS1 ZINC000660413579 1120589011 /nfs/dbraw/zinc/58/90/11/1120589011.db2.gz RVUCADQOEJVRCB-NSHDSACASA-N 0 1 278.446 3.624 20 0 CHADMN CCCCN(CCCC)C(=O)c1cc(C(C)C)[nH]n1 ZINC000124978168 1120591804 /nfs/dbraw/zinc/59/18/04/1120591804.db2.gz LAFLWLHJARTNGP-UHFFFAOYSA-N 0 1 265.401 3.576 20 0 CHADMN COCCC1(CN[C@@H]2CCCC2(F)F)CCCCC1 ZINC000673618011 1120600851 /nfs/dbraw/zinc/60/08/51/1120600851.db2.gz OLACAPPKCRQZBA-CYBMUJFWSA-N 0 1 275.383 3.751 20 0 CHADMN C[C@@H](CN[C@H]1CCCC1(F)F)c1ccc(F)cc1 ZINC000673618473 1120601256 /nfs/dbraw/zinc/60/12/56/1120601256.db2.gz IXMYWEZXJFNSKM-GWCFXTLKSA-N 0 1 257.299 3.707 20 0 CHADMN COC1(CCN(Cc2ccco2)Cc2ccco2)CCC1 ZINC000338881338 1120603407 /nfs/dbraw/zinc/60/34/07/1120603407.db2.gz UAZZBMUQVVOELO-UHFFFAOYSA-N 0 1 289.375 3.834 20 0 CHADMN CC(C)OC[C@@H](C)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000500385188 1120603819 /nfs/dbraw/zinc/60/38/19/1120603819.db2.gz QTVCLNXUNFMCLZ-GFCCVEGCSA-N 0 1 284.831 3.627 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1cc(C(C)C)no1 ZINC000766001319 1120606626 /nfs/dbraw/zinc/60/66/26/1120606626.db2.gz LPFIUIKJCCGEBL-MRXNPFEDSA-N 0 1 270.376 3.884 20 0 CHADMN CC(C)(C)c1coc(CN[C@H]2CCSC3(CCC3)C2)n1 ZINC000922841267 1120608395 /nfs/dbraw/zinc/60/83/95/1120608395.db2.gz BOYSMGXXAHTCAV-LBPRGKRZSA-N 0 1 294.464 3.880 20 0 CHADMN CC(C)c1ncc(CN[C@@H]2CCCc3cccnc32)s1 ZINC000922878024 1120615980 /nfs/dbraw/zinc/61/59/80/1120615980.db2.gz VOIMOVDEBJGJGJ-CQSZACIVSA-N 0 1 287.432 3.829 20 0 CHADMN Cc1cc([C@@H](C)NCc2cc3ccccc3s2)nn1C ZINC000282398801 1120615993 /nfs/dbraw/zinc/61/59/93/1120615993.db2.gz XUCVGDTWULHLSK-GFCCVEGCSA-N 0 1 285.416 3.794 20 0 CHADMN CCc1cc(CN[C@H](C)c2ccc(OC(C)C)cc2)[nH]n1 ZINC000766003101 1120616076 /nfs/dbraw/zinc/61/60/76/1120616076.db2.gz OTRISVISYOKEBP-CYBMUJFWSA-N 0 1 287.407 3.610 20 0 CHADMN Cc1cnc(CNC[C@H](c2ccccc2)C(C)C)o1 ZINC000232711979 1120618138 /nfs/dbraw/zinc/61/81/38/1120618138.db2.gz WWSQYPDTFLHCFG-HNNXBMFYSA-N 0 1 258.365 3.512 20 0 CHADMN Cc1ccc(CN2CCO[C@@]3(CCc4ccccc43)C2)s1 ZINC000093638019 1120619155 /nfs/dbraw/zinc/61/91/55/1120619155.db2.gz YZEAQYJBHLPHEG-SFHVURJKSA-N 0 1 299.439 3.730 20 0 CHADMN Cc1cc(CN2CCC(C(C)C)CC2)cc(Cl)n1 ZINC000321335640 1120621376 /nfs/dbraw/zinc/62/13/76/1120621376.db2.gz QDWJULUGYBJNFR-UHFFFAOYSA-N 0 1 266.816 3.911 20 0 CHADMN C[C@@H](CC(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1F ZINC000338890628 1120621798 /nfs/dbraw/zinc/62/17/98/1120621798.db2.gz VEIOTWUOQVHFKF-NSHDSACASA-N 0 1 297.333 3.834 20 0 CHADMN CCC[C@H](NCc1ccc(C(C)(C)O)cc1)c1ccccn1 ZINC000186608522 1120622362 /nfs/dbraw/zinc/62/23/62/1120622362.db2.gz DWQQDJVNDKLNCB-KRWDZBQOSA-N 0 1 298.430 3.940 20 0 CHADMN CSc1cccc(CN(C)Cc2cnccc2C)c1 ZINC000660454112 1120622707 /nfs/dbraw/zinc/62/27/07/1120622707.db2.gz XXJGHZONHUQBQJ-UHFFFAOYSA-N 0 1 272.417 3.744 20 0 CHADMN CO[C@H](C)c1cccc(Nc2nc3cc(F)ccc3o2)c1 ZINC000511676305 1120624553 /nfs/dbraw/zinc/62/45/53/1120624553.db2.gz STFCSBRJFGZJCI-SNVBAGLBSA-N 0 1 286.306 3.840 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ccncc1Br ZINC000625065734 1120628187 /nfs/dbraw/zinc/62/81/87/1120628187.db2.gz QPAGTNHGUBUVIA-GFCCVEGCSA-N 0 1 283.213 3.609 20 0 CHADMN Cc1nc2c(nc(Cl)nc2NCC(C)(C)CC2CC2)[nH]1 ZINC001162122099 1120635136 /nfs/dbraw/zinc/63/51/36/1120635136.db2.gz IRZKNOJSJFSQJN-UHFFFAOYSA-N 0 1 293.802 3.505 20 0 CHADMN COc1ccc([C@@H](NCc2cc(C)no2)C2CCC2)cc1 ZINC000922888248 1120636753 /nfs/dbraw/zinc/63/67/53/1120636753.db2.gz VSLGNEXVTYUOKX-KRWDZBQOSA-N 0 1 286.375 3.623 20 0 CHADMN CCC[C@H](NC(=O)c1cccc2nc[nH]c21)C1CCCC1 ZINC001626267470 1120642509 /nfs/dbraw/zinc/64/25/09/1120642509.db2.gz PWLLABVUZCZIGX-AWEZNQCLSA-N 0 1 285.391 3.652 20 0 CHADMN COC(=O)c1cc([C@@H](C)N[C@H](C)c2ccccc2)oc1C ZINC000292485009 1120644802 /nfs/dbraw/zinc/64/48/02/1120644802.db2.gz RAVMQVCEHNOAND-VXGBXAGGSA-N 0 1 287.359 3.786 20 0 CHADMN COCc1ccccc1/C=C(\C)CN1CC[C@](C)(F)C1 ZINC000509115091 1120645613 /nfs/dbraw/zinc/64/56/13/1120645613.db2.gz XTVLNWSHHHIAIV-SHRNQRGKSA-N 0 1 277.383 3.670 20 0 CHADMN CC[C@@H](C)CN(CC)Cc1ccncc1Br ZINC000625212389 1120648634 /nfs/dbraw/zinc/64/86/34/1120648634.db2.gz IEZLJFFZPWREIA-LLVKDONJSA-N 0 1 285.229 3.712 20 0 CHADMN CN(CCCC1CCC1)Cc1nc(-c2cccs2)no1 ZINC000660534007 1120652132 /nfs/dbraw/zinc/65/21/32/1120652132.db2.gz PYXKJUANRRIIDC-UHFFFAOYSA-N 0 1 291.420 3.810 20 0 CHADMN CO[C@H](CN1CCCC[C@H]1c1cc[nH]n1)C1CCCCC1 ZINC000660536061 1120653391 /nfs/dbraw/zinc/65/33/91/1120653391.db2.gz NVRAAVMPNJAVFW-DLBZAZTESA-N 0 1 291.439 3.532 20 0 CHADMN Cc1nc(CN2C[C@@H](C)CC[C@H]2c2ccccc2)co1 ZINC000660538752 1120654635 /nfs/dbraw/zinc/65/46/35/1120654635.db2.gz IDQLEUIOCSUIGD-GUYCJALGSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1cc(O)ccc1-c1ccc(F)c(CN(C)C)c1 ZINC000629738897 1128931613 /nfs/dbraw/zinc/93/16/13/1128931613.db2.gz SMJAPESLIDHJMW-UHFFFAOYSA-N 0 1 259.324 3.568 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2nc(C)no2)CC[C@@H]1c1ccccc1 ZINC000673755151 1120668793 /nfs/dbraw/zinc/66/87/93/1120668793.db2.gz UKUUYDRRFHZTCH-UNEWFSDZSA-N 0 1 299.418 3.955 20 0 CHADMN COc1cc(C)cc(CN[C@@H](C)c2cc3cnccc3o2)c1 ZINC000657932534 1120669136 /nfs/dbraw/zinc/66/91/36/1120669136.db2.gz PVRQLLPFBCXYKA-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN CCC[C@H](C)CCCN[C@H](C)c1nnc(C)s1 ZINC000625324482 1120670201 /nfs/dbraw/zinc/67/02/01/1120670201.db2.gz QKHHFVCGZUQTFU-WDEREUQCSA-N 0 1 255.431 3.714 20 0 CHADMN CCC[C@H](NCc1nnc(C(F)(F)F)s1)C(C)(C)C ZINC000660692492 1120677693 /nfs/dbraw/zinc/67/76/93/1120677693.db2.gz PKWOPTIURRDXOK-QMMMGPOBSA-N 0 1 295.374 3.861 20 0 CHADMN Cn1nc(CNC(C)(C)c2cccc(F)c2)c2ccccc21 ZINC000605825344 1120680258 /nfs/dbraw/zinc/68/02/58/1120680258.db2.gz RNFHJNLSWVYYDV-UHFFFAOYSA-N 0 1 297.377 3.737 20 0 CHADMN Cc1ccncc1CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282452393 1120680669 /nfs/dbraw/zinc/68/06/69/1120680669.db2.gz LXNBATCCYLXLJF-CQSZACIVSA-N 0 1 298.352 3.945 20 0 CHADMN C[C@H]1CCCC[C@@]1(C)NCc1nnc(C(F)(F)F)s1 ZINC000660769441 1120687027 /nfs/dbraw/zinc/68/70/27/1120687027.db2.gz YWGSUHZLDBAHEV-GZMMTYOYSA-N 0 1 293.358 3.615 20 0 CHADMN CCOC[C@H]1CCCCN1Cc1nsc2ccccc21 ZINC000660777141 1120687962 /nfs/dbraw/zinc/68/79/62/1120687962.db2.gz QAEQXSZZWHTNDL-CYBMUJFWSA-N 0 1 290.432 3.687 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@@H]1CCc2ccc(F)cc21 ZINC000673931226 1120693711 /nfs/dbraw/zinc/69/37/11/1120693711.db2.gz VKEQGWBOOSPVMX-RFAUZJTJSA-N 0 1 274.339 3.769 20 0 CHADMN Cc1ccccc1C1(NCc2cc(CO)ccc2F)CCC1 ZINC000625510149 1120695157 /nfs/dbraw/zinc/69/51/57/1120695157.db2.gz ZLIRHWJCMHAOKA-UHFFFAOYSA-N 0 1 299.389 3.795 20 0 CHADMN COC(=O)c1cccc(Cl)c1CN1CC[C@H]2CCC[C@@H]21 ZINC000509178871 1120701921 /nfs/dbraw/zinc/70/19/21/1120701921.db2.gz MOKHLJGMJVXLEE-ABAIWWIYSA-N 0 1 293.794 3.501 20 0 CHADMN Cc1ncc2c(n1)CCC[C@H]2N[C@@H](C)c1ccsc1 ZINC000766044466 1120702589 /nfs/dbraw/zinc/70/25/89/1120702589.db2.gz MBJFRUFMDMQUHR-IINYFYTJSA-N 0 1 273.405 3.575 20 0 CHADMN COc1cc(CNC2(c3ccccc3C)CCC2)sn1 ZINC000660911647 1120702666 /nfs/dbraw/zinc/70/26/66/1120702666.db2.gz VVWTWCSLUNRQHJ-UHFFFAOYSA-N 0 1 288.416 3.629 20 0 CHADMN CC(C)=CCCN[C@@H](Cc1ccccc1)c1ncco1 ZINC000660926078 1120703941 /nfs/dbraw/zinc/70/39/41/1120703941.db2.gz LEMHGUGQAKGMPR-INIZCTEOSA-N 0 1 270.376 3.904 20 0 CHADMN Fc1ccc(F)c(CN2CCS[C@H]3CCCC[C@H]32)c1 ZINC000531231636 1120712411 /nfs/dbraw/zinc/71/24/11/1120712411.db2.gz KGASNFWOWAILPA-CABCVRRESA-N 0 1 283.387 3.825 20 0 CHADMN Fc1ccc(CNCc2cccc3c2CCC3)c(F)c1 ZINC000651692278 1120713600 /nfs/dbraw/zinc/71/36/00/1120713600.db2.gz ANPNYXPUQJOBAF-UHFFFAOYSA-N 0 1 273.326 3.743 20 0 CHADMN Cc1cc(C[N@H+](C)[C@H](C)c2ccccn2)c2c(n1)CCCC2 ZINC000893420374 1120715405 /nfs/dbraw/zinc/71/54/05/1120715405.db2.gz HECUJDXESWEZKM-OAHLLOKOSA-N 0 1 295.430 3.857 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccccn2)c2c(n1)CCCC2 ZINC000893420374 1120715411 /nfs/dbraw/zinc/71/54/11/1120715411.db2.gz HECUJDXESWEZKM-OAHLLOKOSA-N 0 1 295.430 3.857 20 0 CHADMN CC[C@H](C)N(CC)Cc1nnc(-c2ccccc2)s1 ZINC000661103175 1120719166 /nfs/dbraw/zinc/71/91/66/1120719166.db2.gz FEYRQUJMKMEKOD-LBPRGKRZSA-N 0 1 275.421 3.826 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](COC)CC(C)(C)C)cs1 ZINC000651717055 1120721640 /nfs/dbraw/zinc/72/16/40/1120721640.db2.gz QVAWQRKAUHJGGS-NWDGAFQWSA-N 0 1 284.469 3.807 20 0 CHADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@@H]2CCCC23CCCCC3)n1 ZINC000661126664 1120722330 /nfs/dbraw/zinc/72/23/30/1120722330.db2.gz GZDVPKPAODCJQE-UONOGXRCSA-N 0 1 289.423 3.644 20 0 CHADMN Cc1ncc(CN(Cc2ccsc2)C(C)(C)C)cn1 ZINC000661134194 1120724089 /nfs/dbraw/zinc/72/40/89/1120724089.db2.gz UCRIMVLAQAVMCE-UHFFFAOYSA-N 0 1 275.421 3.647 20 0 CHADMN CCc1nnc([C@@H](C)N[C@H]2CCCC23CCCCC3)o1 ZINC000661127308 1120724395 /nfs/dbraw/zinc/72/43/95/1120724395.db2.gz DRWKSPYQHCCAAN-OLZOCXBDSA-N 0 1 277.412 3.786 20 0 CHADMN Cc1ncc(CN(C)Cc2cccc3ncccc23)s1 ZINC000661130864 1120725191 /nfs/dbraw/zinc/72/51/91/1120725191.db2.gz LLOWADNZZUPUFQ-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN CC(C)(C)N(Cc1ccsc1)Cc1ccno1 ZINC000661136524 1120725518 /nfs/dbraw/zinc/72/55/18/1120725518.db2.gz STKRYRAFYMVNCM-UHFFFAOYSA-N 0 1 250.367 3.537 20 0 CHADMN Cc1cccc(C)c1[C@H]1CCCN1Cc1ccon1 ZINC000661137583 1120726308 /nfs/dbraw/zinc/72/63/08/1120726308.db2.gz QXFIMHAJZXIAHE-OAHLLOKOSA-N 0 1 256.349 3.629 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2c(C)cccc2C)no1 ZINC000661138041 1120727008 /nfs/dbraw/zinc/72/70/08/1120727008.db2.gz VYHZSOOBNZFYMY-MRXNPFEDSA-N 0 1 270.376 3.937 20 0 CHADMN C[C@@H]1CC[C@@H]([NH2+]Cc2ccc([O-])c(Cl)c2)C[C@@H]1C ZINC000085042470 1120731778 /nfs/dbraw/zinc/73/17/78/1120731778.db2.gz MNIHBFSSSAZGPB-NTZNESFSSA-N 0 1 267.800 3.960 20 0 CHADMN CC(C)c1nnc(CN2CCc3ccccc3C(C)(C)C2)o1 ZINC000661212134 1120739468 /nfs/dbraw/zinc/73/94/68/1120739468.db2.gz SSMLYCBKICHAAU-UHFFFAOYSA-N 0 1 299.418 3.529 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1nc(C2CCCC2)no1 ZINC000661230463 1120740802 /nfs/dbraw/zinc/74/08/02/1120740802.db2.gz BJBDFPKPDVJNOY-NSHDSACASA-N 0 1 265.401 3.642 20 0 CHADMN CC1(C)C[N@@H+](Cc2ncc(C3CC3)o2)CCc2ccccc21 ZINC000661213084 1120739826 /nfs/dbraw/zinc/73/98/26/1120739826.db2.gz OZPDYMVFWWOZQW-UHFFFAOYSA-N 0 1 296.414 3.888 20 0 CHADMN CC1(C)CN(Cc2ncc(C3CC3)o2)CCc2ccccc21 ZINC000661213084 1120739831 /nfs/dbraw/zinc/73/98/31/1120739831.db2.gz OZPDYMVFWWOZQW-UHFFFAOYSA-N 0 1 296.414 3.888 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1nc(-c2ccccc2F)no1 ZINC000661232245 1120741766 /nfs/dbraw/zinc/74/17/66/1120741766.db2.gz VTYIVEIBTVDHDH-LLVKDONJSA-N 0 1 291.370 3.790 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1nc(-c2ccsc2)no1 ZINC000661234022 1120741971 /nfs/dbraw/zinc/74/19/71/1120741971.db2.gz DPCGCGCVGWPHJR-JTQLQIEISA-N 0 1 279.409 3.712 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1noc(-c2ccsc2)n1 ZINC000661234932 1120743077 /nfs/dbraw/zinc/74/30/77/1120743077.db2.gz QBYKAQJJKRIRGX-SNVBAGLBSA-N 0 1 279.409 3.712 20 0 CHADMN O[C@@H](CNc1ccnc2cc(F)ccc21)C1CCCCC1 ZINC000500434880 1120746244 /nfs/dbraw/zinc/74/62/44/1120746244.db2.gz LGOORFGYYJBNSB-KRWDZBQOSA-N 0 1 288.366 3.727 20 0 CHADMN CCCc1nc(C)c(C[N@H+]2CCc3ccc(C)cc3C2)o1 ZINC000661372066 1120757142 /nfs/dbraw/zinc/75/71/42/1120757142.db2.gz HTAWLDFXQDCRDM-UHFFFAOYSA-N 0 1 284.403 3.802 20 0 CHADMN CCCc1nc(C)c(CN2CCc3ccc(C)cc3C2)o1 ZINC000661372066 1120757146 /nfs/dbraw/zinc/75/71/46/1120757146.db2.gz HTAWLDFXQDCRDM-UHFFFAOYSA-N 0 1 284.403 3.802 20 0 CHADMN CCc1cccc(CN2CC(C)(CC(F)F)C2)c1 ZINC000651843368 1120762050 /nfs/dbraw/zinc/76/20/50/1120762050.db2.gz CYNZGWMCBXLDLB-UHFFFAOYSA-N 0 1 253.336 3.726 20 0 CHADMN C[C@H]1COC2(CCC2)CN1Cc1cc2ccccc2o1 ZINC000661467936 1120768888 /nfs/dbraw/zinc/76/88/88/1120768888.db2.gz WUOXUTLHSOKDJH-ZDUSSCGKSA-N 0 1 271.360 3.576 20 0 CHADMN COC[C@H](NCc1c(C)cccc1C)c1cccc(OC)c1 ZINC000661477003 1120770409 /nfs/dbraw/zinc/77/04/09/1120770409.db2.gz DTHYUWKKIUVHID-IBGZPJMESA-N 0 1 299.414 3.789 20 0 CHADMN C[C@H]1c2ccccc2C[C@H]1NCc1cc(C(C)(C)C)on1 ZINC000661517853 1120773624 /nfs/dbraw/zinc/77/36/24/1120773624.db2.gz WOHICDOVKSYVPF-BLLLJJGKSA-N 0 1 284.403 3.790 20 0 CHADMN Cc1cccc(CCN2CC[C@@H]2c2ccc(F)cc2)n1 ZINC000661511054 1120773808 /nfs/dbraw/zinc/77/38/08/1120773808.db2.gz WNBMEORYYFILHX-QGZVFWFLSA-N 0 1 270.351 3.519 20 0 CHADMN C[C@@H]1CCN(C(=O)c2[nH]nc3ccccc32)[C@@H]2CCCC[C@H]12 ZINC000045906028 1120775080 /nfs/dbraw/zinc/77/50/80/1120775080.db2.gz UQKRGPLKCRZSTR-XJKCOSOUSA-N 0 1 297.402 3.604 20 0 CHADMN Fc1cc(F)c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1F ZINC000511893497 1120779555 /nfs/dbraw/zinc/77/95/55/1120779555.db2.gz YTENAKMIAKPSPO-BONVTDFDSA-N 0 1 269.310 3.868 20 0 CHADMN Fc1cc(F)c(CN2CCC[C@@H]3CCC[C@@H]32)cc1F ZINC000511893497 1120779558 /nfs/dbraw/zinc/77/95/58/1120779558.db2.gz YTENAKMIAKPSPO-BONVTDFDSA-N 0 1 269.310 3.868 20 0 CHADMN CCCCC[N@@H+](CCCOC)Cc1cc(O)cc(F)c1 ZINC000473117691 1120783804 /nfs/dbraw/zinc/78/38/04/1120783804.db2.gz CBWSGMKNLZJMNH-UHFFFAOYSA-N 0 1 283.387 3.560 20 0 CHADMN CC[C@@H]1CN(Cc2cc(C)c3ncccc3c2)[C@@H](C)CO1 ZINC000651931535 1120783842 /nfs/dbraw/zinc/78/38/42/1120783842.db2.gz VIJKRNAMKWMHMT-WMLDXEAASA-N 0 1 284.403 3.543 20 0 CHADMN CC[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)[C@H](C)CO1 ZINC000651930929 1120783966 /nfs/dbraw/zinc/78/39/66/1120783966.db2.gz GUCJEURKIGLWHR-DNVCBOLYSA-N 0 1 296.414 3.748 20 0 CHADMN COc1ccc(C[C@H](C)CN2CCC=C(F)C2)cc1F ZINC000473121493 1120785002 /nfs/dbraw/zinc/78/50/02/1120785002.db2.gz JSPIUQNWYSAJCW-LBPRGKRZSA-N 0 1 281.346 3.572 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@@](O)(C2CC2)C1 ZINC000661632194 1120787889 /nfs/dbraw/zinc/78/78/89/1120787889.db2.gz KZPLYLWDYFUUHD-BZNIZROVSA-N 0 1 297.801 3.777 20 0 CHADMN FCC[C@@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000661691427 1120795076 /nfs/dbraw/zinc/79/50/76/1120795076.db2.gz VFEZPDHXPHKXPY-NSHDSACASA-N 0 1 257.299 3.536 20 0 CHADMN FCC[C@@H]1CCCN(Cc2nc3ccccc3s2)C1 ZINC000661689872 1120795383 /nfs/dbraw/zinc/79/53/83/1120795383.db2.gz LKRRPSRFVFWJSG-LBPRGKRZSA-N 0 1 278.396 3.868 20 0 CHADMN COc1ccc([C@@H](N[C@@H]2CC2(C)C)c2ccccn2)cc1 ZINC000652174702 1120795468 /nfs/dbraw/zinc/79/54/68/1120795468.db2.gz BNQDTDLEYKSADY-IAGOWNOFSA-N 0 1 282.387 3.568 20 0 CHADMN C[C@H]1C[C@@H](NCc2cccc3ccsc32)c2nccn21 ZINC000652219552 1120799644 /nfs/dbraw/zinc/79/96/44/1120799644.db2.gz DDZRGOCPWTZXPG-SMDDNHRTSA-N 0 1 283.400 3.893 20 0 CHADMN Cc1ccccc1C1(N[C@H](C)c2cnccn2)CCC1 ZINC000652217729 1120800869 /nfs/dbraw/zinc/80/08/69/1120800869.db2.gz GVWBUMJPBUFAAL-CQSZACIVSA-N 0 1 267.376 3.515 20 0 CHADMN Cc1ccc(OC(F)F)c(CNCc2ccsc2)c1 ZINC000151977998 1120801413 /nfs/dbraw/zinc/80/14/13/1120801413.db2.gz ATNCYXWJVUUFHQ-UHFFFAOYSA-N 0 1 283.343 3.948 20 0 CHADMN Cc1ccc(N[C@H](C)c2ccc3c(c2)OCO3)nc1C ZINC001161514448 1120811385 /nfs/dbraw/zinc/81/13/85/1120811385.db2.gz BEKPLAYJHUZTMB-GFCCVEGCSA-N 0 1 270.332 3.600 20 0 CHADMN CCc1cccc(CN[C@@H](C)c2ccc(F)cn2)c1 ZINC000652306918 1120817328 /nfs/dbraw/zinc/81/73/28/1120817328.db2.gz JGYUDXJLAKLDIV-LBPRGKRZSA-N 0 1 258.340 3.634 20 0 CHADMN Cc1ccc2[nH]c(C[N@H+]3CCC[C@H]4COCC[C@@H]43)cc2c1C ZINC000473149823 1120819731 /nfs/dbraw/zinc/81/97/31/1120819731.db2.gz LFLPLPPMVLCMCD-KXBFYZLASA-N 0 1 298.430 3.786 20 0 CHADMN Cc1ccc2[nH]c(CN3CCC[C@H]4COCC[C@@H]43)cc2c1C ZINC000473149823 1120819734 /nfs/dbraw/zinc/81/97/34/1120819734.db2.gz LFLPLPPMVLCMCD-KXBFYZLASA-N 0 1 298.430 3.786 20 0 CHADMN CC(C)OC(=O)[C@@H]1CCCN1CCCC1CCCCC1 ZINC001167784015 1120824139 /nfs/dbraw/zinc/82/41/39/1120824139.db2.gz DSCPLRYFGGWJIC-INIZCTEOSA-N 0 1 281.440 3.763 20 0 CHADMN Clc1cnccc1CN1CCC([C@H]2CCCCO2)CC1 ZINC000661867413 1120829133 /nfs/dbraw/zinc/82/91/33/1120829133.db2.gz NGLYVKJNZNAJQQ-MRXNPFEDSA-N 0 1 294.826 3.516 20 0 CHADMN Cc1ccc(NS(=O)(=O)c2cc(C)ccc2F)c(C)c1 ZINC000048652297 1120836686 /nfs/dbraw/zinc/83/66/86/1120836686.db2.gz MCCBHHZUBFBAJO-UHFFFAOYSA-N 0 1 293.363 3.552 20 0 CHADMN C[C@@H]1CCC[C@H](C)CN1Cc1cccc(Br)n1 ZINC000779437669 1128943696 /nfs/dbraw/zinc/94/36/96/1128943696.db2.gz UHCNIILCGLAOLS-NWDGAFQWSA-N 0 1 297.240 3.855 20 0 CHADMN CCCN(CC(=O)Nc1ccccc1)Cc1ccccc1 ZINC000048811931 1120843477 /nfs/dbraw/zinc/84/34/77/1120843477.db2.gz WWOJPIHDSAFUTP-UHFFFAOYSA-N 0 1 282.387 3.537 20 0 CHADMN CC(C)[C@@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1F ZINC000049077528 1120850730 /nfs/dbraw/zinc/85/07/30/1120850730.db2.gz NYBCSDMCROZCFA-AWEZNQCLSA-N 0 1 298.789 3.538 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc3c(c2)CCC3)o1 ZINC000049592577 1120860131 /nfs/dbraw/zinc/86/01/31/1120860131.db2.gz WSBOWGJHLJCVDZ-CYBMUJFWSA-N 0 1 255.361 3.928 20 0 CHADMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000652429939 1120861128 /nfs/dbraw/zinc/86/11/28/1120861128.db2.gz BZTTZHJRRVDUBV-YPMHNXCESA-N 0 1 281.421 3.847 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H]2COc3ccc(F)cc32)c1 ZINC000467003572 1120862861 /nfs/dbraw/zinc/86/28/61/1120862861.db2.gz RONWJIQNZYRVLM-BLLLJJGKSA-N 0 1 271.335 3.918 20 0 CHADMN O=C([O-])C[N@@H+](Cc1cc2ccccc2o1)C1CCCCC1 ZINC000652481991 1120870288 /nfs/dbraw/zinc/87/02/88/1120870288.db2.gz HVMMSKJONZWKLM-UHFFFAOYSA-N 0 1 287.359 3.652 20 0 CHADMN O=C([O-])C[N@@H+](CCc1ccc(Cl)cc1)C1CCCCC1 ZINC000652482069 1120870407 /nfs/dbraw/zinc/87/04/07/1120870407.db2.gz LRMSSMWVPQLEHM-UHFFFAOYSA-N 0 1 295.810 3.602 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)C/C=C\c1ccc(Cl)cc1 ZINC000652485057 1120872945 /nfs/dbraw/zinc/87/29/45/1120872945.db2.gz PODGEISWINMRIZ-FOSCPCJNSA-N 0 1 295.810 3.784 20 0 CHADMN Brc1ccc([C@@H]2CCN2CC2CC2)cc1 ZINC000662100910 1120875641 /nfs/dbraw/zinc/87/56/41/1120875641.db2.gz PRGXDROEMSLKOA-ZDUSSCGKSA-N 0 1 266.182 3.606 20 0 CHADMN COc1cccc(C2(NCc3cc(C)ccn3)CCC2)c1 ZINC000662110006 1120878253 /nfs/dbraw/zinc/87/82/53/1120878253.db2.gz ZAQNSCGWDLFGCP-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000662130582 1120881749 /nfs/dbraw/zinc/88/17/49/1120881749.db2.gz BGQBKGFQGUWRTH-CPIKKWJDSA-N 0 1 297.402 3.659 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000252593748 1120884177 /nfs/dbraw/zinc/88/41/77/1120884177.db2.gz GAVXANOXXAZUTA-XJKCOSOUSA-N 0 1 283.371 3.696 20 0 CHADMN C(c1nc(C2CC2)no1)N1CCC[C@@H](C2CCCCC2)C1 ZINC000662200566 1120897745 /nfs/dbraw/zinc/89/77/45/1120897745.db2.gz GQNWCKULMBOSEE-OAHLLOKOSA-N 0 1 289.423 3.739 20 0 CHADMN Cc1ccc([C@@H]2C[C@H]2c2nc(C3(N)CCCC3)no2)cc1C ZINC000663251896 1120900681 /nfs/dbraw/zinc/90/06/81/1120900681.db2.gz XOWGQOQESMVUPP-LSDHHAIUSA-N 0 1 297.402 3.686 20 0 CHADMN Clc1cc2c(c(CNc3ccc4c[nH]nc4c3)c1)OCC2 ZINC000630066776 1128947779 /nfs/dbraw/zinc/94/77/79/1128947779.db2.gz BINHIXKCYAJPAK-UHFFFAOYSA-N 0 1 299.761 3.763 20 0 CHADMN c1ccc2c(c1)C=CC1(CCN(Cc3ccncc3)CC1)O2 ZINC000662214460 1120903405 /nfs/dbraw/zinc/90/34/05/1120903405.db2.gz MTRJROAQLFHJNV-UHFFFAOYSA-N 0 1 292.382 3.522 20 0 CHADMN COC[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000093337601 1128947988 /nfs/dbraw/zinc/94/79/88/1128947988.db2.gz OVQANLSFNUUHCM-LLVKDONJSA-N 0 1 288.218 3.852 20 0 CHADMN CC(C)c1ccc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)cc1 ZINC000662229862 1120906674 /nfs/dbraw/zinc/90/66/74/1120906674.db2.gz YPPCJPAFQCXZLJ-UHFFFAOYSA-N 0 1 277.408 3.743 20 0 CHADMN Cc1nc([C@@H](C)N(C)Cc2ccc(Cl)cc2Cl)n[nH]1 ZINC000662289739 1120919770 /nfs/dbraw/zinc/91/97/70/1120919770.db2.gz POARFPDAGVKTNW-MRVPVSSYSA-N 0 1 299.205 3.613 20 0 CHADMN Cc1cccc(CN(C)Cc2nn(C)c3ccccc23)c1C ZINC000644834239 1120927668 /nfs/dbraw/zinc/92/76/68/1120927668.db2.gz VKPOLEMCOUUMDU-UHFFFAOYSA-N 0 1 293.414 3.822 20 0 CHADMN C[C@H](c1nc(Cc2ccccc2)no1)N(C)C[C@H]1CC1(C)C ZINC000662344758 1120929336 /nfs/dbraw/zinc/92/93/36/1120929336.db2.gz DQJSVOYDLYEMOR-UKRRQHHQSA-N 0 1 299.418 3.699 20 0 CHADMN CC[C@H](NCCC(=O)c1ccc(C)cc1)c1nccs1 ZINC000161909833 1120930786 /nfs/dbraw/zinc/93/07/86/1120930786.db2.gz NABKHJTYUBBEPF-AWEZNQCLSA-N 0 1 288.416 3.765 20 0 CHADMN C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cccc3c2OCC3)C1 ZINC000893572785 1120936610 /nfs/dbraw/zinc/93/66/10/1120936610.db2.gz TYSFTGPRTNHFTG-RDTXWAMCSA-N 0 1 294.398 3.600 20 0 CHADMN CC1(C)C[C@]1(NCc1cccc(O)c1)c1ccccc1 ZINC000663338979 1120938936 /nfs/dbraw/zinc/93/89/36/1120938936.db2.gz ZJQQPWVGJXEWGW-SFHVURJKSA-N 0 1 267.372 3.807 20 0 CHADMN CC(C)n1cncc1CN[C@]1(c2ccccc2)CC1(C)C ZINC000663341176 1120939305 /nfs/dbraw/zinc/93/93/05/1120939305.db2.gz IVLLXZRMMJXGAX-SFHVURJKSA-N 0 1 283.419 3.879 20 0 CHADMN Cc1cc(CNCc2cnccc2C(F)(F)F)ccc1F ZINC000663353342 1120944897 /nfs/dbraw/zinc/94/48/97/1120944897.db2.gz NGBHKDMDRMADRX-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Cc1cc(C[N@@H+]2CC[C@@H](C)C2)c(OC(F)F)cc1C ZINC000511971851 1120947089 /nfs/dbraw/zinc/94/70/89/1120947089.db2.gz IPCMZHSUQXDDEU-SNVBAGLBSA-N 0 1 269.335 3.747 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccoc2)cc1OC ZINC000094869110 1120967834 /nfs/dbraw/zinc/96/78/34/1120967834.db2.gz KDUURXVRAASUAF-NWDGAFQWSA-N 0 1 275.348 3.709 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccncc2Cl)c(C)c1 ZINC000643347194 1120971126 /nfs/dbraw/zinc/97/11/26/1120971126.db2.gz WAAONLLCSHRPGQ-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CC[C@H]1CCN1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000644843682 1120972818 /nfs/dbraw/zinc/97/28/18/1120972818.db2.gz WTTQZSKSSIJCRO-HNNXBMFYSA-N 0 1 289.810 3.569 20 0 CHADMN CCCCO[C@@H]1C[C@@H](NCc2cc(C3CC3)no2)C1(C)C ZINC000660529366 1120978925 /nfs/dbraw/zinc/97/89/25/1120978925.db2.gz CDMARZPBNOHWSI-HZPDHXFCSA-N 0 1 292.423 3.625 20 0 CHADMN CC[C@@H](F)C(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC001342588509 1120983918 /nfs/dbraw/zinc/98/39/18/1120983918.db2.gz CIKMJXYEROUKKU-VXNVDRBHSA-N 0 1 284.718 3.569 20 0 CHADMN Cc1ccccc1CC1CN(Cc2cnc(C3CC3)o2)C1 ZINC000628306274 1120993119 /nfs/dbraw/zinc/99/31/19/1120993119.db2.gz UAWOOURZBAQPJF-UHFFFAOYSA-N 0 1 282.387 3.535 20 0 CHADMN CC[N@@H+](CC(=O)Nc1cc(F)ccc1F)C1CCCCC1 ZINC000052873666 1121012542 /nfs/dbraw/zinc/01/25/42/1121012542.db2.gz DSMZNWRZMQQIOT-UHFFFAOYSA-N 0 1 296.361 3.558 20 0 CHADMN Cc1nc2cc(N[C@@H]3CCCC34CC4)ccc2n1C ZINC000657966826 1121020290 /nfs/dbraw/zinc/02/02/90/1121020290.db2.gz JKWIPPOZRRFJBU-OAHLLOKOSA-N 0 1 255.365 3.626 20 0 CHADMN C=CNc1cc([C@H]2CCCCN2C(=O)OC(C)(C)C)no1 ZINC001174783039 1121030299 /nfs/dbraw/zinc/03/02/99/1121030299.db2.gz AQOOVFRQHOKBBL-GFCCVEGCSA-N 0 1 293.367 3.692 20 0 CHADMN Fc1cccc([C@@H]2CCN2CCCOCC(F)(F)F)c1 ZINC000674014082 1121040714 /nfs/dbraw/zinc/04/07/14/1121040714.db2.gz XSRTYNLQNRHUNI-ZDUSSCGKSA-N 0 1 291.288 3.542 20 0 CHADMN Cc1cccc(OCCN(C)Cc2ccccc2F)c1 ZINC000058887275 1121042920 /nfs/dbraw/zinc/04/29/20/1121042920.db2.gz BJRHJQWCTVSYTH-UHFFFAOYSA-N 0 1 273.351 3.645 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(Cl)s1)c1cn[nH]c1 ZINC000222456727 1121043873 /nfs/dbraw/zinc/04/38/73/1121043873.db2.gz SEMOXJLEKJUKSC-YUMQZZPRSA-N 0 1 255.774 3.536 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H](C)Sc2sccc21)c1cn[nH]c1 ZINC000222509391 1121044250 /nfs/dbraw/zinc/04/42/50/1121044250.db2.gz YACYZHGXLVRCCV-YGOYTEALSA-N 0 1 279.434 3.747 20 0 CHADMN Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](C4CC4)C3)o2)cc1 ZINC000343991699 1121048475 /nfs/dbraw/zinc/04/84/75/1121048475.db2.gz MGOXAOSLPPJIAQ-MRXNPFEDSA-N 0 1 297.402 3.667 20 0 CHADMN Cc1ccc(-c2nnc(CN3CCC[C@@H](C4CC4)C3)o2)cc1 ZINC000343991699 1121048483 /nfs/dbraw/zinc/04/84/83/1121048483.db2.gz MGOXAOSLPPJIAQ-MRXNPFEDSA-N 0 1 297.402 3.667 20 0 CHADMN CC(=O)c1cccc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000625654042 1121048616 /nfs/dbraw/zinc/04/86/16/1121048616.db2.gz WUTGCXSUGYUAKK-TXEJJXNPSA-N 0 1 281.346 3.612 20 0 CHADMN C[C@@H](CN(C)Cc1nccn1C(F)F)C1CCCCC1 ZINC000338903859 1121050392 /nfs/dbraw/zinc/05/03/92/1121050392.db2.gz MMIBNVMEIXMLPY-LBPRGKRZSA-N 0 1 285.382 3.926 20 0 CHADMN Cc1ccc(OCCNCc2c(F)cccc2Cl)cc1 ZINC000032156904 1121054407 /nfs/dbraw/zinc/05/44/07/1121054407.db2.gz ZLSCCQXNPUYCJP-UHFFFAOYSA-N 0 1 293.769 3.956 20 0 CHADMN Cc1ccc(Nc2ccc(N3CCN(C)CC3)cc2)c(F)c1 ZINC001174813774 1121057952 /nfs/dbraw/zinc/05/79/52/1121057952.db2.gz DSHNVZXUPMIORD-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN Cc1ccc(F)cc1Nc1cnc2cccc(C)n12 ZINC001174885364 1121060091 /nfs/dbraw/zinc/06/00/91/1121060091.db2.gz DXHIWWJYJXTBLT-UHFFFAOYSA-N 0 1 255.296 3.834 20 0 CHADMN CC(C)c1noc([C@@H](C)N2C[C@H](C)CC(C)(C)C2)n1 ZINC000344033933 1121060702 /nfs/dbraw/zinc/06/07/02/1121060702.db2.gz GFRRTTQUKREODW-VXGBXAGGSA-N 0 1 265.401 3.622 20 0 CHADMN CCCCO[C@@H]1C[C@H](NCc2nc(C)cs2)C1(C)C ZINC000344032825 1121062285 /nfs/dbraw/zinc/06/22/85/1121062285.db2.gz KGZKYKFDVCVTNI-QWHCGFSZSA-N 0 1 282.453 3.525 20 0 CHADMN Fc1cccc2c1SCC[C@@H]2NCc1ccoc1 ZINC000134284201 1121067268 /nfs/dbraw/zinc/06/72/68/1121067268.db2.gz QLGSBEKNBIXKBQ-ZDUSSCGKSA-N 0 1 263.337 3.745 20 0 CHADMN Cc1cccc(C)c1CN1Cc2ccc(O)cc2C1 ZINC000625726411 1121069115 /nfs/dbraw/zinc/06/91/15/1121069115.db2.gz HKHPROKLWOVNIM-UHFFFAOYSA-N 0 1 253.345 3.525 20 0 CHADMN CC(C)OCCN(Cc1ccco1)Cc1ccccc1 ZINC000049968022 1121069718 /nfs/dbraw/zinc/06/97/18/1121069718.db2.gz LKKRAPRTZWKCJZ-UHFFFAOYSA-N 0 1 273.376 3.707 20 0 CHADMN COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2cccc(C)n2)c1 ZINC000344063073 1121069993 /nfs/dbraw/zinc/06/99/93/1121069993.db2.gz NWSXBERBNCUXFO-AUUYWEPGSA-N 0 1 296.414 3.982 20 0 CHADMN CN(Cc1ccncc1Cl)C[C@@H]1CC=CCC1 ZINC000344067550 1121071021 /nfs/dbraw/zinc/07/10/21/1121071021.db2.gz PTDHCSNJGLTLHU-GFCCVEGCSA-N 0 1 250.773 3.523 20 0 CHADMN CN(Cc1csc(-c2ccccn2)n1)C[C@@H]1CC=CCC1 ZINC000344074578 1121073294 /nfs/dbraw/zinc/07/32/94/1121073294.db2.gz UMTOIPGDZVFOBW-CQSZACIVSA-N 0 1 299.443 3.993 20 0 CHADMN CCCc1nc(CN2CCC[C@@H](C3CC3)C2)cs1 ZINC000344072984 1121073374 /nfs/dbraw/zinc/07/33/74/1121073374.db2.gz SPJMVJJYCCHGCM-CYBMUJFWSA-N 0 1 264.438 3.718 20 0 CHADMN CC[C@H]1CN(Cc2cnc(C(C)(C)C)s2)CCS1 ZINC000093502316 1128961064 /nfs/dbraw/zinc/96/10/64/1128961064.db2.gz DNFAMUZDDKQYSW-NSHDSACASA-N 0 1 284.494 3.768 20 0 CHADMN CCO[C@@H]1C[C@H](N(C)Cc2cnc(C3CC3)s2)C1(C)C ZINC000093605419 1128964622 /nfs/dbraw/zinc/96/46/22/1128964622.db2.gz WSUCQEORLIGGOM-UONOGXRCSA-N 0 1 294.464 3.656 20 0 CHADMN C[C@H](NCc1ccncc1)c1ccc(Br)s1 ZINC000038002002 1121091735 /nfs/dbraw/zinc/09/17/35/1121091735.db2.gz NFRSIIRKGKTTJK-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN(C)C[C@@H]1CC1(C)C ZINC001174915774 1121092711 /nfs/dbraw/zinc/09/27/11/1121092711.db2.gz NPZDUMQNBOESBV-LBPRGKRZSA-N 0 1 294.826 3.565 20 0 CHADMN Cc1ncc2c(n1)CCC[C@@H]2NCc1sccc1Cl ZINC000785471621 1121092839 /nfs/dbraw/zinc/09/28/39/1121092839.db2.gz WIRRRGHCISJTTM-LBPRGKRZSA-N 0 1 293.823 3.667 20 0 CHADMN Cc1n[nH]cc1CN[C@@H](C)c1oc2ccccc2c1C ZINC000038011417 1121093377 /nfs/dbraw/zinc/09/33/77/1121093377.db2.gz UFNMVMPNWMWYPP-LBPRGKRZSA-N 0 1 269.348 3.624 20 0 CHADMN C[C@H](NC[C@@H](O)C(C)(C)C)c1c(F)cccc1Cl ZINC000324640745 1121102404 /nfs/dbraw/zinc/10/24/04/1121102404.db2.gz XGMLVRVWQWGTGE-JOYOIKCWSA-N 0 1 273.779 3.537 20 0 CHADMN CCc1ccc(CN(C)Cc2cccn2CC)cc1 ZINC000674231835 1121102733 /nfs/dbraw/zinc/10/27/33/1121102733.db2.gz QYNFPWOYSQDVBU-UHFFFAOYSA-N 0 1 256.393 3.702 20 0 CHADMN Cc1cccc(Oc2ccc(NC(=O)[C@H](C)N(C)C)cc2)c1 ZINC000674244755 1121105025 /nfs/dbraw/zinc/10/50/25/1121105025.db2.gz UXESKVASURUDRX-AWEZNQCLSA-N 0 1 298.386 3.676 20 0 CHADMN CCC(CC)CCCN(C)[C@@H](CC(C)C)C(=O)OC ZINC001174956945 1121110819 /nfs/dbraw/zinc/11/08/19/1121110819.db2.gz NCIZHYMPXZCYHY-HNNXBMFYSA-N 0 1 271.445 3.722 20 0 CHADMN Cc1ccc(Oc2ccc(NC(=O)[C@H](C)N(C)C)cc2)cc1 ZINC000674284060 1121111952 /nfs/dbraw/zinc/11/19/52/1121111952.db2.gz LRTIRRBADRCAFE-AWEZNQCLSA-N 0 1 298.386 3.676 20 0 CHADMN C[C@H](CC(=O)OC(C)(C)C)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000344209571 1121120675 /nfs/dbraw/zinc/12/06/75/1121120675.db2.gz BCSFWFACVAVUGN-SCRDCRAPSA-N 0 1 293.407 3.613 20 0 CHADMN COc1ccc([C@@H]2CCCN2C/C=C/Cl)cc1 ZINC000054115386 1121125198 /nfs/dbraw/zinc/12/51/98/1121125198.db2.gz LUXXUMORUHAFCV-WMKWSGJFSA-N 0 1 251.757 3.585 20 0 CHADMN CCOc1ccc(CN(C)[C@H](C)c2ccccc2)nc1 ZINC000674388035 1121127343 /nfs/dbraw/zinc/12/73/43/1121127343.db2.gz PACPJEMIMPWWQY-CQSZACIVSA-N 0 1 270.376 3.673 20 0 CHADMN COCC(C)(C)N(C)Cc1coc(-c2ccc(C)cc2)n1 ZINC000429228927 1121132793 /nfs/dbraw/zinc/13/27/93/1121132793.db2.gz USHICXNIFZNZBM-UHFFFAOYSA-N 0 1 288.391 3.507 20 0 CHADMN Fc1cc(Nc2ccncc2)ccc1OCc1ccccc1 ZINC001175017424 1121135693 /nfs/dbraw/zinc/13/56/93/1121135693.db2.gz NDOFPBMSZCZTGW-UHFFFAOYSA-N 0 1 294.329 3.965 20 0 CHADMN C[C@H]1CC[C@@H]2C(=O)N(Cc3cccc(Cl)c3Cl)N=C12 ZINC000634623694 1128965302 /nfs/dbraw/zinc/96/53/02/1128965302.db2.gz MPHLBRKQRJQEJV-WPRPVWTQSA-N 0 1 297.185 3.738 20 0 CHADMN C[C@H]1CCc2c(=O)n(Cc3cccc(Cl)c3Cl)[nH]c21 ZINC000634623694 1128965306 /nfs/dbraw/zinc/96/53/06/1128965306.db2.gz MPHLBRKQRJQEJV-WPRPVWTQSA-N 0 1 297.185 3.738 20 0 CHADMN CCOc1ccc(Nc2cc(C)cc(C)n2)cc1F ZINC001175066743 1121147103 /nfs/dbraw/zinc/14/71/03/1121147103.db2.gz XNAHXDTWPKURCR-UHFFFAOYSA-N 0 1 260.312 3.980 20 0 CHADMN COCC[N@@H+](CCC(=O)C(C)(C)C)[C@@H](C)c1ccccc1 ZINC000753711179 1121154746 /nfs/dbraw/zinc/15/47/46/1121154746.db2.gz YIIVAQUVQBLPQI-HNNXBMFYSA-N 0 1 291.435 3.701 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccncc1OC)c1ccccc1 ZINC000187064689 1121155614 /nfs/dbraw/zinc/15/56/14/1121155614.db2.gz IEFHBCKUXKTWDY-CZUORRHYSA-N 0 1 270.376 3.892 20 0 CHADMN CCc1nnc(CNCC(C)(C)C2=CCCCC2)s1 ZINC000893668842 1121156335 /nfs/dbraw/zinc/15/63/35/1121156335.db2.gz QZNADJJKOZQGMO-UHFFFAOYSA-N 0 1 279.453 3.717 20 0 CHADMN COc1ccc(CNCc2cccc(C(C)C)c2)nc1 ZINC000893676990 1121160958 /nfs/dbraw/zinc/16/09/58/1121160958.db2.gz VOSDLBFJFXJFQH-UHFFFAOYSA-N 0 1 270.376 3.503 20 0 CHADMN Cc1ccccc1NC(=O)c1c(C)cccc1NC=N ZINC001167865844 1121167137 /nfs/dbraw/zinc/16/71/37/1121167137.db2.gz VCHRMORJHGSMIV-UHFFFAOYSA-N 0 1 267.332 3.575 20 0 CHADMN COCC(C)(C)[N@@H+](C)Cc1cc(Cl)ccc1Cl ZINC000429239257 1121169256 /nfs/dbraw/zinc/16/92/56/1121169256.db2.gz PXPRPMDIDOQQPE-UHFFFAOYSA-N 0 1 276.207 3.850 20 0 CHADMN COCC(C)(C)N(C)Cc1cc(Cl)ccc1Cl ZINC000429239257 1121169257 /nfs/dbraw/zinc/16/92/57/1121169257.db2.gz PXPRPMDIDOQQPE-UHFFFAOYSA-N 0 1 276.207 3.850 20 0 CHADMN CC[C@H](NC/C=C\CO)c1ccc(Cl)cc1Cl ZINC000658134011 1121174651 /nfs/dbraw/zinc/17/46/51/1121174651.db2.gz UOBOVZQCFVAGHD-SCOBNMCVSA-N 0 1 274.191 3.583 20 0 CHADMN CCOC[C@H]1CCCCN1Cc1cc(Cl)cs1 ZINC001206239148 1121179036 /nfs/dbraw/zinc/17/90/36/1121179036.db2.gz ABZUSZVDJNQULO-GFCCVEGCSA-N 0 1 273.829 3.793 20 0 CHADMN CCc1noc([C@H](C)N2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000245406212 1121183275 /nfs/dbraw/zinc/18/32/75/1121183275.db2.gz WKDYAPYYQJZLIG-GOEBONIOSA-N 0 1 299.418 3.963 20 0 CHADMN Cc1cnc(CNCC2CCC(C(C)(C)C)CC2)o1 ZINC000235949791 1121195536 /nfs/dbraw/zinc/19/55/36/1121195536.db2.gz XWHAJZYGYCSFOG-UHFFFAOYSA-N 0 1 264.413 3.925 20 0 CHADMN Cc1noc([C@@H](C)N[C@H](C)CCC2CCCCC2)n1 ZINC000360069598 1121200539 /nfs/dbraw/zinc/20/05/39/1121200539.db2.gz QOPOMUBHSLUNEL-VXGBXAGGSA-N 0 1 265.401 3.778 20 0 CHADMN Fc1ccc(Cl)c(CN2CCOC[C@@H](C3CCC3)C2)c1 ZINC000429242530 1121203318 /nfs/dbraw/zinc/20/33/18/1121203318.db2.gz VFJXFXUJBDCXRZ-AWEZNQCLSA-N 0 1 297.801 3.728 20 0 CHADMN CC/C=C\CCNC(C)(C)c1cc(C(F)(F)F)on1 ZINC000429242225 1121204328 /nfs/dbraw/zinc/20/43/28/1121204328.db2.gz QQSWXLFEZYRDRF-WAYWQWQTSA-N 0 1 276.302 3.874 20 0 CHADMN Brc1cccnc1CN1CCCC2(CC2)CC1 ZINC000702628100 1121207148 /nfs/dbraw/zinc/20/71/48/1121207148.db2.gz QDGIDILSUJZQCO-UHFFFAOYSA-N 0 1 295.224 3.610 20 0 CHADMN CCOCc1ccccc1CN[C@@H](C)c1cncs1 ZINC000122629683 1121215246 /nfs/dbraw/zinc/21/52/46/1121215246.db2.gz IYFIYRNRIDIAKY-LBPRGKRZSA-N 0 1 276.405 3.530 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2c(=O)[nH]1 ZINC000675127285 1121220427 /nfs/dbraw/zinc/22/04/27/1121220427.db2.gz FKQWJBHGWHECHR-AWEZNQCLSA-N 0 1 299.418 3.736 20 0 CHADMN CC(C)C[C@@H]1CCCCN1Cc1nc2ccccc2c(=O)[nH]1 ZINC000675127285 1121220431 /nfs/dbraw/zinc/22/04/31/1121220431.db2.gz FKQWJBHGWHECHR-AWEZNQCLSA-N 0 1 299.418 3.736 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1Cc1noc2c1CCCC2 ZINC000675127513 1121220961 /nfs/dbraw/zinc/22/09/61/1121220961.db2.gz UNWCWZMEPSHYBV-CQSZACIVSA-N 0 1 276.424 3.954 20 0 CHADMN Cc1n[nH]cc1CN(C)Cc1ccccc1CC(C)C ZINC001175183094 1121221588 /nfs/dbraw/zinc/22/15/88/1121221588.db2.gz GKFGZFQBHMSCPQ-UHFFFAOYSA-N 0 1 271.408 3.549 20 0 CHADMN Cc1cnc(CNCc2c(C)cc(C)cc2C)s1 ZINC000230686945 1121225528 /nfs/dbraw/zinc/22/55/28/1121225528.db2.gz KCWPMNNUCPWQEX-UHFFFAOYSA-N 0 1 260.406 3.667 20 0 CHADMN CC[C@]1(C)CCN(Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000675186926 1121228854 /nfs/dbraw/zinc/22/88/54/1121228854.db2.gz RPXGZRPYIPKVEU-QGZVFWFLSA-N 0 1 287.382 3.633 20 0 CHADMN CCCCOc1ccc(Nc2c(C)ncn2C)cc1 ZINC001175241493 1121240481 /nfs/dbraw/zinc/24/04/81/1121240481.db2.gz QJIZYRRKDJGAHX-UHFFFAOYSA-N 0 1 259.353 3.651 20 0 CHADMN CCC(C)(C)[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000512270335 1121241569 /nfs/dbraw/zinc/24/15/69/1121241569.db2.gz MHQFHUKBACFKSY-UHFFFAOYSA-N 0 1 258.365 3.962 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1ccc(C)c(F)c1 ZINC000094952841 1121247730 /nfs/dbraw/zinc/24/77/30/1121247730.db2.gz VFJLMVVLFWEQAY-VXGBXAGGSA-N 0 1 275.371 3.588 20 0 CHADMN CN(Cc1ncc(C(C)(C)C)o1)[C@H]1CCc2ccccc2C1 ZINC000512318251 1121258909 /nfs/dbraw/zinc/25/89/09/1121258909.db2.gz MJPTZDUDSOYBSL-INIZCTEOSA-N 0 1 298.430 3.961 20 0 CHADMN CCN(c1ccc(NCc2cccn2C)cc1)C(C)C ZINC000236856011 1121259709 /nfs/dbraw/zinc/25/97/09/1121259709.db2.gz UOJCBUIBKAWLQC-UHFFFAOYSA-N 0 1 271.408 3.872 20 0 CHADMN COc1ccc([C@H](C)NCc2c(C3CCC3)cnn2C)cc1 ZINC000658269345 1121266174 /nfs/dbraw/zinc/26/61/74/1121266174.db2.gz NOOFQKBKHFZIPC-ZDUSSCGKSA-N 0 1 299.418 3.547 20 0 CHADMN CCCCCc1cc(C(=O)N2CC3(CCC3)C[C@@H]2C)n[nH]1 ZINC000614012062 1121275077 /nfs/dbraw/zinc/27/50/77/1121275077.db2.gz GIWZAKSURMFOIV-ZDUSSCGKSA-N 0 1 289.423 3.547 20 0 CHADMN COC(=O)C12CCC(CC1)N2Cc1cccc2ccccc21 ZINC001175324019 1121283225 /nfs/dbraw/zinc/28/32/25/1121283225.db2.gz RMXREGIKOXCXKF-UHFFFAOYSA-N 0 1 295.382 3.510 20 0 CHADMN CC(C)c1nc(CN2CCCCC[C@H]2C[C@@H](C)O)cs1 ZINC000124204863 1121287240 /nfs/dbraw/zinc/28/72/40/1121287240.db2.gz AKLJGBRTWRMJRK-HIFRSBDPSA-N 0 1 296.480 3.782 20 0 CHADMN COc1cc2ccnc(N3CCCC4(CC4)C3)c2cc1OC ZINC000663811496 1121287408 /nfs/dbraw/zinc/28/74/08/1121287408.db2.gz BWPVAWLWEGCXPP-UHFFFAOYSA-N 0 1 298.386 3.632 20 0 CHADMN CC[C@@H]1C[C@@]1(NCc1cccc(OC)n1)c1cccc(C)c1 ZINC000500514689 1121292979 /nfs/dbraw/zinc/29/29/79/1121292979.db2.gz PUZGTAVBHXTUJT-BEFAXECRSA-N 0 1 296.414 3.814 20 0 CHADMN Cc1cnc([C@@H](C)NCCCOc2ccccc2)s1 ZINC000124399030 1121293506 /nfs/dbraw/zinc/29/35/06/1121293506.db2.gz YMGLCXJZGDLUIA-CYBMUJFWSA-N 0 1 276.405 3.571 20 0 CHADMN C[N@@H+](C/C=C\c1ccccc1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447064062 1121295290 /nfs/dbraw/zinc/29/52/90/1121295290.db2.gz STGBDYPKQIHGQR-FLIBITNWSA-N 0 1 283.419 3.852 20 0 CHADMN COc1cc(Nc2ccc3ncccc3c2)ncc1C ZINC001175376582 1121305685 /nfs/dbraw/zinc/30/56/85/1121305685.db2.gz UANQQUYBHYEMTR-UHFFFAOYSA-N 0 1 265.316 3.690 20 0 CHADMN CN(Cc1ccc(F)c(Cl)c1Cl)CC1CC1 ZINC000432741934 1121305971 /nfs/dbraw/zinc/30/59/71/1121305971.db2.gz PHZNCFANCYARFO-UHFFFAOYSA-N 0 1 262.155 3.974 20 0 CHADMN C[C@@H]1CN(Cc2cc(C(C)(C)C)c[nH]2)CCC1(F)F ZINC001249476598 1121310900 /nfs/dbraw/zinc/31/09/00/1121310900.db2.gz YTMGSOXOEJGQRN-LLVKDONJSA-N 0 1 270.367 3.789 20 0 CHADMN COCCN(Cc1nc2ccc(F)cc2s1)CC(C)C ZINC000432742297 1121311248 /nfs/dbraw/zinc/31/12/48/1121311248.db2.gz NFCQYMYRCDSWLG-UHFFFAOYSA-N 0 1 296.411 3.540 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@@H](c3ccccc3)[C@H](C)C2)n1 ZINC000246617770 1121312934 /nfs/dbraw/zinc/31/29/34/1121312934.db2.gz HAUJKZURWIHXRA-IJEWVQPXSA-N 0 1 299.418 3.819 20 0 CHADMN CC(C)(C)C(F)(F)CN[C@H]1CCc2cccnc2CC1 ZINC000658340208 1121316732 /nfs/dbraw/zinc/31/67/32/1121316732.db2.gz ZKNJAUJHIFWGTK-ZDUSSCGKSA-N 0 1 282.378 3.600 20 0 CHADMN CCOCc1ccccc1CNCc1ccc(Cl)cn1 ZINC000703868545 1121317758 /nfs/dbraw/zinc/31/77/58/1121317758.db2.gz QEAKZNYXYICPSD-UHFFFAOYSA-N 0 1 290.794 3.561 20 0 CHADMN Fc1cccc(CN2CC[C@H]3CSC[C@H]3C2)c1Cl ZINC001175444656 1121327465 /nfs/dbraw/zinc/32/74/65/1121327465.db2.gz MEBAGVFECDZRFS-NWDGAFQWSA-N 0 1 285.815 3.664 20 0 CHADMN Fc1cc(CN2CC[C@@H]3CSC[C@H]3C2)ccc1Cl ZINC001175444663 1121328711 /nfs/dbraw/zinc/32/87/11/1121328711.db2.gz MFBZWUYUZYTUNH-VXGBXAGGSA-N 0 1 285.815 3.664 20 0 CHADMN CNc1cccc(C)c1Nc1ccc2[nH]c(C)nc2c1 ZINC001213077194 1121330874 /nfs/dbraw/zinc/33/08/74/1121330874.db2.gz LCQKVODRYCXJDW-UHFFFAOYSA-N 0 1 266.348 3.965 20 0 CHADMN COc1ccccc1[C@H](C)NCc1cc(F)cc(F)c1 ZINC000097901338 1121331594 /nfs/dbraw/zinc/33/15/94/1121331594.db2.gz BIMGIWPDORFWBV-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN Cc1c2c[nH]nc2ccc1-n1ccc2c1cc(N)cc2F ZINC001175468920 1121334528 /nfs/dbraw/zinc/33/45/28/1121334528.db2.gz ZEUVPTKLLXSTAY-UHFFFAOYSA-N 0 1 280.306 3.537 20 0 CHADMN Cc1nc2cc(Nc3ccc4oc(=O)ccc4c3)ccc2[nH]1 ZINC001213077346 1121334539 /nfs/dbraw/zinc/33/45/39/1121334539.db2.gz STSXICCLYZNAHK-UHFFFAOYSA-N 0 1 291.310 3.721 20 0 CHADMN COc1cccc(CN2CCCO[C@@H](C(C)C)C2)c1Cl ZINC000660646584 1121337569 /nfs/dbraw/zinc/33/75/69/1121337569.db2.gz IYRDWEGTDZJHIE-OAHLLOKOSA-N 0 1 297.826 3.596 20 0 CHADMN CCn1nccc1CN[C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000125228890 1121345593 /nfs/dbraw/zinc/34/55/93/1121345593.db2.gz BMSIYUGFHJGQDX-OAHLLOKOSA-N 0 1 287.407 3.608 20 0 CHADMN C[C@H]1CC[C@@H]2C(=O)N(Cc3c(Cl)cccc3Cl)N=C12 ZINC000634629940 1128979204 /nfs/dbraw/zinc/97/92/04/1128979204.db2.gz HVZFPCQPHSRJJN-IUCAKERBSA-N 0 1 297.185 3.738 20 0 CHADMN C[C@H]1CCc2c(=O)n(Cc3c(Cl)cccc3Cl)[nH]c21 ZINC000634629940 1128979206 /nfs/dbraw/zinc/97/92/06/1128979206.db2.gz HVZFPCQPHSRJJN-IUCAKERBSA-N 0 1 297.185 3.738 20 0 CHADMN CC(C)Oc1ncccc1CN[C@@H]1c2ccccc2C[C@H]1C ZINC000675750710 1121349563 /nfs/dbraw/zinc/34/95/63/1121349563.db2.gz QCCJVIMPBMCXGS-KDOFPFPSSA-N 0 1 296.414 3.892 20 0 CHADMN COc1ncc(C[N@H+]2CC[C@H](C3CCCCC3)C2)s1 ZINC001139818356 1121352131 /nfs/dbraw/zinc/35/21/31/1121352131.db2.gz FANWCKZFFDXSTB-ZDUSSCGKSA-N 0 1 280.437 3.554 20 0 CHADMN COc1cncc(CN[C@H](C)c2ccccc2Cl)c1C ZINC000631031851 1128979783 /nfs/dbraw/zinc/97/97/83/1128979783.db2.gz LIHJLHDSSUABJS-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1occc1CN[C@H](C)c1ccc(F)cc1N(C)C ZINC000675779980 1121356872 /nfs/dbraw/zinc/35/68/72/1121356872.db2.gz UEMNRKAXBBMPOH-LLVKDONJSA-N 0 1 276.355 3.644 20 0 CHADMN Cc1occc1CN[C@H](C)c1ccc2ccccc2n1 ZINC000675780418 1121357107 /nfs/dbraw/zinc/35/71/07/1121357107.db2.gz XYLVNMRZBSFOQA-GFCCVEGCSA-N 0 1 266.344 3.987 20 0 CHADMN COc1ccccc1[C@H](C)NCc1ccc(C(F)F)nc1 ZINC000631035000 1128979839 /nfs/dbraw/zinc/97/98/39/1128979839.db2.gz XXERYLVDVBEDSE-NSHDSACASA-N 0 1 292.329 3.879 20 0 CHADMN Cc1ncc([C@H](C)N[C@H]2CSCc3ccccc32)c(C)n1 ZINC000675782478 1121361238 /nfs/dbraw/zinc/36/12/38/1121361238.db2.gz GHCTVAOETGWQCF-SJCJKPOMSA-N 0 1 299.443 3.732 20 0 CHADMN CN(CCCF)Cc1ccc(Cl)cc1Cl ZINC000675883657 1121381337 /nfs/dbraw/zinc/38/13/37/1121381337.db2.gz GOJRTHDJVFQDOZ-UHFFFAOYSA-N 0 1 250.144 3.785 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(OC(C)C)nc1 ZINC001175524484 1121362533 /nfs/dbraw/zinc/36/25/33/1121362533.db2.gz UHJWJXVDMURNGO-UHFFFAOYSA-N 0 1 282.347 3.797 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccnc(Cl)c1C ZINC001175523723 1121363129 /nfs/dbraw/zinc/36/31/29/1121363129.db2.gz LHYDWRNKKUSOMK-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1cnc([C@@H](C)N(C)C[C@@H]2CCc3ccccc32)o1 ZINC000662197436 1121363959 /nfs/dbraw/zinc/36/39/59/1121363959.db2.gz JPGGVRTZBQBAEW-HIFRSBDPSA-N 0 1 270.376 3.706 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@@H](C)c1ccsc1 ZINC000675808187 1121364897 /nfs/dbraw/zinc/36/48/97/1121364897.db2.gz LPNDYTXTHFVBDI-LBPRGKRZSA-N 0 1 276.405 3.619 20 0 CHADMN Cc1cc(C)c(N)c(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175525707 1121364959 /nfs/dbraw/zinc/36/49/59/1121364959.db2.gz GVFSYWDQPJYUOD-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(-c2ccco2)no1 ZINC001175524948 1121365906 /nfs/dbraw/zinc/36/59/06/1121365906.db2.gz YJFQQAAQILKHOU-UHFFFAOYSA-N 0 1 280.287 3.863 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cnccc1Cl ZINC001175525584 1121366386 /nfs/dbraw/zinc/36/63/86/1121366386.db2.gz OFUWQTCIRCOXKW-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1cc(C)c(O)c(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175525739 1121366943 /nfs/dbraw/zinc/36/69/43/1121366943.db2.gz HYCGRYXLVQIBFM-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(O)c(F)c(F)c1 ZINC001175526765 1121367134 /nfs/dbraw/zinc/36/71/34/1121367134.db2.gz SILXPJQTQDCEJE-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(F)cc(F)c1O ZINC001175527092 1121367340 /nfs/dbraw/zinc/36/73/40/1121367340.db2.gz FKDUUKSMZWEMON-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(F)c(F)cc1O ZINC001175526319 1121367504 /nfs/dbraw/zinc/36/75/04/1121367504.db2.gz LCDCPSCKFJYLOI-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(N)cc1C ZINC001175526864 1121368109 /nfs/dbraw/zinc/36/81/09/1121368109.db2.gz YCQSBPBCSYLNRH-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2c1COC2 ZINC001175526968 1121368324 /nfs/dbraw/zinc/36/83/24/1121368324.db2.gz DQMWZPLXAYYXIO-UHFFFAOYSA-N 0 1 265.316 3.645 20 0 CHADMN COc1cc(Nc2c3cn[nH]c3ccc2C)ccc1C(C)=O ZINC001175527242 1121370499 /nfs/dbraw/zinc/37/04/99/1121370499.db2.gz JALZHQJOAXLGIE-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN CC(=O)c1ccc(F)cc1Nc1c2cn[nH]c2ccc1C ZINC001175527833 1121370676 /nfs/dbraw/zinc/37/06/76/1121370676.db2.gz YBNDFKSVVRQPIW-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN CC(C)[N@@H+](C)Cc1cc(OC(F)(F)F)ccc1F ZINC001143537790 1121428039 /nfs/dbraw/zinc/42/80/39/1121428039.db2.gz CNZIYBWUKWRKTC-UHFFFAOYSA-N 0 1 265.250 3.565 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(CO)ccc1Cl ZINC001175527466 1121370710 /nfs/dbraw/zinc/37/07/10/1121370710.db2.gz OXICQLIDMYUDTH-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN CC(C)N(C)Cc1cc(OC(F)(F)F)ccc1F ZINC001143537790 1121428044 /nfs/dbraw/zinc/42/80/44/1121428044.db2.gz CNZIYBWUKWRKTC-UHFFFAOYSA-N 0 1 265.250 3.565 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(O)cc(Cl)c1 ZINC001175527909 1121371495 /nfs/dbraw/zinc/37/14/95/1121371495.db2.gz ZUDSCJWOIHYZOJ-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN CC[C@H](N[C@H]1COc2c1cccc2Cl)c1ccncc1 ZINC000675900640 1121380816 /nfs/dbraw/zinc/38/08/16/1121380816.db2.gz GHDAVQOJXUXZNV-GJZGRUSLSA-N 0 1 288.778 3.909 20 0 CHADMN C[C@@H](N[C@H](Cc1nccn1C)c1ccccc1)c1ccoc1 ZINC000675917816 1121382656 /nfs/dbraw/zinc/38/26/56/1121382656.db2.gz FNCMSZDZIGGWBY-RHSMWYFYSA-N 0 1 295.386 3.648 20 0 CHADMN CC(C)N(Cc1n[nH]c(C(C)(C)C)n1)c1ccccc1 ZINC000432817569 1121386498 /nfs/dbraw/zinc/38/64/98/1121386498.db2.gz GBHWECYYOSYCSA-UHFFFAOYSA-N 0 1 272.396 3.517 20 0 CHADMN C[C@@](CO)(NCc1cc2cc(F)ccc2o1)c1ccccc1 ZINC000237653707 1121387248 /nfs/dbraw/zinc/38/72/48/1121387248.db2.gz BTNTZXLYECYDKG-SFHVURJKSA-N 0 1 299.345 3.569 20 0 CHADMN FC[C@H](NCCc1c(F)cccc1F)c1ccc(F)cc1 ZINC001175561427 1121387454 /nfs/dbraw/zinc/38/74/54/1121387454.db2.gz SRPDCQVLGJEIFL-INIZCTEOSA-N 0 1 297.295 3.947 20 0 CHADMN Cc1ccc(C)c(N2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000675902012 1121387524 /nfs/dbraw/zinc/38/75/24/1121387524.db2.gz VGYNLVNCXMHVGJ-QGZVFWFLSA-N 0 1 295.430 3.582 20 0 CHADMN C[C@@H](NC[C@](C)(O)C(F)F)c1cc(Cl)ccc1Cl ZINC000704981004 1121387671 /nfs/dbraw/zinc/38/76/71/1121387671.db2.gz UBFUICGENHIBOL-KRTXAFLBSA-N 0 1 298.160 3.660 20 0 CHADMN Cc1ccc(-c2nnc(CN(C)[C@@H]3CC[C@@H](C)C3)o2)cc1 ZINC000429585680 1121387681 /nfs/dbraw/zinc/38/76/81/1121387681.db2.gz SOAWNCKKDFLGAD-UKRRQHHQSA-N 0 1 285.391 3.665 20 0 CHADMN Cc1ccsc1CN1CCc2cc(F)ccc2C1 ZINC000500773057 1121394734 /nfs/dbraw/zinc/39/47/34/1121394734.db2.gz OBEMOPGOXJZOFS-UHFFFAOYSA-N 0 1 261.365 3.754 20 0 CHADMN CN1CCC=C(Nc2ccccc2Oc2ccccc2N)C1 ZINC001175577562 1121396653 /nfs/dbraw/zinc/39/66/53/1121396653.db2.gz CNTRBNASGMNYSU-UHFFFAOYSA-N 0 1 295.386 3.692 20 0 CHADMN CN1CCC=C(Nc2ccc(C(F)(F)F)c(Cl)c2)C1 ZINC001175577183 1121397224 /nfs/dbraw/zinc/39/72/24/1121397224.db2.gz ZMMVAVHYTXVIEV-UHFFFAOYSA-N 0 1 290.716 3.990 20 0 CHADMN Cc1ccc2nc(CNC(=O)[C@@H](C)CC(C)(C)C)[nH]c2c1 ZINC000500793303 1121398929 /nfs/dbraw/zinc/39/89/29/1121398929.db2.gz XXRFPEOQYBJALX-LBPRGKRZSA-N 0 1 287.407 3.560 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1nc2ccccc2c(=O)[nH]1 ZINC000676041281 1121400195 /nfs/dbraw/zinc/40/01/95/1121400195.db2.gz CWRFDBVQNPNCQI-CQSZACIVSA-N 0 1 299.418 3.880 20 0 CHADMN CSc1cccc(F)c1CNCc1ccc(F)cc1 ZINC000512522697 1121407377 /nfs/dbraw/zinc/40/73/77/1121407377.db2.gz XYMZBZROPVHFQM-UHFFFAOYSA-N 0 1 279.355 3.977 20 0 CHADMN CC[C@@H](NCc1cncc(Cl)c1)c1ccccc1OC ZINC000705692115 1121410313 /nfs/dbraw/zinc/41/03/13/1121410313.db2.gz SQYZBJSVOCMUAP-OAHLLOKOSA-N 0 1 290.794 3.985 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ncc(F)cc3Cl)cc12 ZINC001175693775 1121415134 /nfs/dbraw/zinc/41/51/34/1121415134.db2.gz JYUCIEXTABOVOF-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(C(F)F)nc3)cc12 ZINC001175695051 1121415306 /nfs/dbraw/zinc/41/53/06/1121415306.db2.gz VVVZHCRIIZQENL-UHFFFAOYSA-N 0 1 274.274 3.948 20 0 CHADMN COc1ccc(F)c(F)c1Nc1ccc2n[nH]c(C)c2c1 ZINC001175700196 1121417923 /nfs/dbraw/zinc/41/79/23/1121417923.db2.gz GZESXFSLTSEHFY-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN CC(=O)c1cccc(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175700247 1121417943 /nfs/dbraw/zinc/41/79/43/1121417943.db2.gz XPAXIASKZQFXRT-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cncc(OC(F)F)c3)cc12 ZINC001175699902 1121417949 /nfs/dbraw/zinc/41/79/49/1121417949.db2.gz VUQRZJMPQIXMRY-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1[nH]nc2ccc(Nc3c(O)cc(F)cc3F)cc12 ZINC001175699847 1121417996 /nfs/dbraw/zinc/41/79/96/1121417996.db2.gz UCZSBQADTJLMFU-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1[nH]nc2ccc(Nc3c(F)cccc3F)cc12 ZINC001175699791 1121418229 /nfs/dbraw/zinc/41/82/29/1121418229.db2.gz RUGABIZLASHUQC-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4c3CCC4=O)cc12 ZINC001175699688 1121418394 /nfs/dbraw/zinc/41/83/94/1121418394.db2.gz BFSWOEPCYDRTBL-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN Cc1[nH]nc2ccc(Nc3c(N)cc(Cl)cc3F)cc12 ZINC001175701378 1121419340 /nfs/dbraw/zinc/41/93/40/1121419340.db2.gz ALXFDVSAEQSSIZ-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN CCN(c1ccc2n[nH]c(C)c2c1)c1ccccc1N ZINC001175700750 1121419598 /nfs/dbraw/zinc/41/95/98/1121419598.db2.gz VYQLXBGHASVXAI-UHFFFAOYSA-N 0 1 266.348 3.612 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(CO)cc3Cl)cc12 ZINC001175701385 1121419723 /nfs/dbraw/zinc/41/97/23/1121419723.db2.gz FQKQGGQXDHEGOZ-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(F)c(N)cc3C)cc12 ZINC001175701902 1121419863 /nfs/dbraw/zinc/41/98/63/1121419863.db2.gz JAUHRQUDCVPOME-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN CC(=O)c1ccc(F)cc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175702637 1121420583 /nfs/dbraw/zinc/42/05/83/1121420583.db2.gz RKRWMCDHAQMIAH-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN c1ccc2c(c1)n[nH]c2CNc1cccc2cccnc21 ZINC000676315469 1121422884 /nfs/dbraw/zinc/42/28/84/1121422884.db2.gz DQDCWQCYZLPQDB-UHFFFAOYSA-N 0 1 274.327 3.723 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccnn3CC3CCC3)ccc12 ZINC001175660207 1121424778 /nfs/dbraw/zinc/42/47/78/1121424778.db2.gz MTBJWABJAFDDNX-UHFFFAOYSA-N 0 1 281.363 3.612 20 0 CHADMN Cc1[nH]nc2cc(Nc3cnccc3C3CC3)ccc21 ZINC001175659728 1121425132 /nfs/dbraw/zinc/42/51/32/1121425132.db2.gz HEBLXUVINQQYFY-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(O)cc3C)ccc12 ZINC001175662284 1121425853 /nfs/dbraw/zinc/42/58/53/1121425853.db2.gz CZBBPASMROSJBY-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1[nH]nc2cc(Nc3c(N)ccc(C)c3C)ccc12 ZINC001175662688 1121425874 /nfs/dbraw/zinc/42/58/74/1121425874.db2.gz XJGNIQGERQSKJG-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccccc3C(C)(C)O)ccc12 ZINC001175662352 1121425975 /nfs/dbraw/zinc/42/59/75/1121425975.db2.gz ICTHGSPYATUJSK-UHFFFAOYSA-N 0 1 281.359 3.842 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(N)cc3C)ccc12 ZINC001175662344 1121426201 /nfs/dbraw/zinc/42/62/01/1121426201.db2.gz HUWMZIMDUOCVRT-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN COC(=O)c1cccc(F)c1Nc1ccc2c(C)[nH]nc2c1 ZINC001175662462 1121426331 /nfs/dbraw/zinc/42/63/31/1121426331.db2.gz NHOXNYFPIQFJQH-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(Cl)cc3O)ccc12 ZINC001175662585 1121426429 /nfs/dbraw/zinc/42/64/29/1121426429.db2.gz SXNOKXIYKUNONL-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(-n4ccnc4)cc3)ccc12 ZINC001175661764 1121426490 /nfs/dbraw/zinc/42/64/90/1121426490.db2.gz QNGFGMOXXLHCBT-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4[nH]c(=O)sc4c3)ccc12 ZINC001175662777 1121427363 /nfs/dbraw/zinc/42/73/63/1121427363.db2.gz ZPADZVCNHQKRFS-UHFFFAOYSA-N 0 1 296.355 3.930 20 0 CHADMN COc1ccc(C(C)=O)c(Nc2ccc3c(C)[nH]nc3c2)c1 ZINC001175662716 1121427398 /nfs/dbraw/zinc/42/73/98/1121427398.db2.gz BICQIEVHXOAWCQ-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN C[C@H]1CCCN(Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143538695 1121427874 /nfs/dbraw/zinc/42/78/74/1121427874.db2.gz PIRGYFFXADLUFU-JTQLQIEISA-N 0 1 291.288 3.956 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(CO)cc3Cl)ccc12 ZINC001175663788 1121427825 /nfs/dbraw/zinc/42/78/25/1121427825.db2.gz NEDKNSIHWMOMPK-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4c(c3)[C@H](O)CC4)ccc12 ZINC001175663319 1121428265 /nfs/dbraw/zinc/42/82/65/1121428265.db2.gz CJCHMMOTKXQKHR-QGZVFWFLSA-N 0 1 279.343 3.595 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4nnsc4c3)ccc21 ZINC001175665353 1121428290 /nfs/dbraw/zinc/42/82/90/1121428290.db2.gz KTTQDTAOERSJAD-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4c(c3)CCN4C)ccc21 ZINC001175666500 1121429526 /nfs/dbraw/zinc/42/95/26/1121429526.db2.gz XLHZWSSAHRAHIM-UHFFFAOYSA-N 0 1 278.359 3.607 20 0 CHADMN Cc1cn2c(cccc2Nc2ccc3n[nH]c(C)c3c2)n1 ZINC001175692622 1121434925 /nfs/dbraw/zinc/43/49/25/1121434925.db2.gz ATVNNGVNEBVPJW-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN Cc1[nH]nc2ccc(Nc3nc4c(cccc4O)s3)cc12 ZINC001175692808 1121435112 /nfs/dbraw/zinc/43/51/12/1121435112.db2.gz KUEHJYMNFHCPNW-UHFFFAOYSA-N 0 1 296.355 3.930 20 0 CHADMN CN(Cc1cccs1)Cc1cccc2c1NCCC2 ZINC000893886791 1121435846 /nfs/dbraw/zinc/43/58/46/1121435846.db2.gz OIHYHEPRDJBSMH-UHFFFAOYSA-N 0 1 272.417 3.738 20 0 CHADMN CC1(NCc2ncc(Br)cc2Cl)CCC1 ZINC000631105137 1128985101 /nfs/dbraw/zinc/98/51/01/1128985101.db2.gz HANVQEDNULRQRB-UHFFFAOYSA-N 0 1 289.604 3.530 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)N1CC[C@@H](CF)C1 ZINC001175716498 1121436316 /nfs/dbraw/zinc/43/63/16/1121436316.db2.gz VMRGZGCABSCQHI-UWVGGRQHSA-N 0 1 259.727 3.832 20 0 CHADMN Clc1ccc(CNCc2ccnn2CC2CCC2)cc1 ZINC000631032771 1128980345 /nfs/dbraw/zinc/98/03/45/1128980345.db2.gz KSWFWVMZTRGDPM-UHFFFAOYSA-N 0 1 289.810 3.626 20 0 CHADMN Cc1nc([C@H](C)NCCN(C)c2ccccc2)c(C)s1 ZINC000676488159 1121438354 /nfs/dbraw/zinc/43/83/54/1121438354.db2.gz DHPCFVSYJONXLO-LBPRGKRZSA-N 0 1 289.448 3.547 20 0 CHADMN CC(C)(F)CNCc1cscc1C(F)(F)F ZINC000631189668 1128990498 /nfs/dbraw/zinc/99/04/98/1128990498.db2.gz WBCLZJVCKAAZNH-UHFFFAOYSA-N 0 1 255.280 3.605 20 0 CHADMN Cc1noc2ncc(CN3CCC[C@H]3c3ccsc3)cc12 ZINC000893944036 1121444964 /nfs/dbraw/zinc/44/49/64/1121444964.db2.gz NKMNCIMCQOWJCQ-HNNXBMFYSA-N 0 1 299.399 3.930 20 0 CHADMN C[C@@H]1[C@H](C)N(C)CCN1Cc1csc(Cl)c1Cl ZINC000432924812 1121483162 /nfs/dbraw/zinc/48/31/62/1121483162.db2.gz OCPPETGXEKPORG-DTWKUNHWSA-N 0 1 293.263 3.579 20 0 CHADMN Cc1ncoc1CN(C1CC1)[C@H]1CCc2ccccc21 ZINC000893966554 1121448443 /nfs/dbraw/zinc/44/84/43/1121448443.db2.gz CTBFIQBGMYMJOU-INIZCTEOSA-N 0 1 268.360 3.635 20 0 CHADMN Clc1cccc(CN2C3CCCC2CCC3)n1 ZINC000707157109 1121450044 /nfs/dbraw/zinc/45/00/44/1121450044.db2.gz UXNGDZXAHXTAHG-UHFFFAOYSA-N 0 1 250.773 3.642 20 0 CHADMN Clc1cc(CN2C3CCCC2CCC3)ccn1 ZINC000707155367 1121450484 /nfs/dbraw/zinc/45/04/84/1121450484.db2.gz MQMYUPJYDVOVDH-UHFFFAOYSA-N 0 1 250.773 3.642 20 0 CHADMN COc1ccc([C@H]2CCN(Cc3nc(C(C)C)c[nH]3)C2)cc1 ZINC000893986134 1121451072 /nfs/dbraw/zinc/45/10/72/1121451072.db2.gz KOQJTYDJDNHJHS-HNNXBMFYSA-N 0 1 299.418 3.531 20 0 CHADMN CC[C@@H]1CCN1Cc1ccc(Br)cc1C ZINC000429280648 1121504000 /nfs/dbraw/zinc/50/40/00/1121504000.db2.gz QQEGDOGCILUUIC-CYBMUJFWSA-N 0 1 268.198 3.742 20 0 CHADMN Cc1ncoc1CN1CCCCC[C@H]1c1ccco1 ZINC000894025956 1121456956 /nfs/dbraw/zinc/45/69/56/1121456956.db2.gz ATOSVRZQFYICKX-ZDUSSCGKSA-N 0 1 260.337 3.693 20 0 CHADMN Cc1ncoc1CN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000894076235 1121466031 /nfs/dbraw/zinc/46/60/31/1121466031.db2.gz PUXHINFQISCHEV-AAEUAGOBSA-N 0 1 260.337 3.549 20 0 CHADMN C[C@@H]1CN(Cc2ccc3oc(=O)oc3c2)[C@H]1c1ccccc1 ZINC000894085992 1121466352 /nfs/dbraw/zinc/46/63/52/1121466352.db2.gz XQPIOMXWWDDYGR-SJKOYZFVSA-N 0 1 295.338 3.579 20 0 CHADMN Cc1[nH]nc(CN2CC[C@@H](C)C[C@@H]2c2ccco2)c1C ZINC000894075187 1121466521 /nfs/dbraw/zinc/46/65/21/1121466521.db2.gz CNDCZTINTUAXJW-IAQYHMDHSA-N 0 1 273.380 3.593 20 0 CHADMN Fc1ccc(Cl)cc1-c1noc(-c2cc(Cl)[nH]n2)n1 ZINC001213498936 1121469787 /nfs/dbraw/zinc/46/97/87/1121469787.db2.gz ZOUXSWIAVWLZKG-UHFFFAOYSA-N 0 1 299.092 3.573 20 0 CHADMN O=C([O-])c1cncc(Nc2cc[nH+]c(-c3ccccc3)c2)c1 ZINC001175837505 1121470458 /nfs/dbraw/zinc/47/04/58/1121470458.db2.gz LEYMNXYPHAMHPC-UHFFFAOYSA-N 0 1 291.310 3.585 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccc(C)cc2F)n[nH]1 ZINC000631119843 1128986493 /nfs/dbraw/zinc/98/64/93/1128986493.db2.gz DNTZWYZTCYSRGN-VXGBXAGGSA-N 0 1 290.386 3.617 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)C(C)(C)C)c1cn(C)cn1 ZINC000709928252 1121471884 /nfs/dbraw/zinc/47/18/84/1121471884.db2.gz MYARCJGZIMDONA-BBRMVZONSA-N 0 1 271.408 3.858 20 0 CHADMN Cc1ccc([C@H](N[C@@H](C)c2cn(C)cn2)C2CC2)cc1 ZINC000710145147 1121473376 /nfs/dbraw/zinc/47/33/76/1121473376.db2.gz FMXMNBAJGCPPCZ-GUYCJALGSA-N 0 1 269.392 3.530 20 0 CHADMN Clc1c2ccccc2oc1CNCC1=CCCOC1 ZINC000631135867 1128986971 /nfs/dbraw/zinc/98/69/71/1128986971.db2.gz GGPXHHGADKXHJK-UHFFFAOYSA-N 0 1 277.751 3.523 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1cc(F)c(F)c(F)c1 ZINC000512586788 1121485345 /nfs/dbraw/zinc/48/53/45/1121485345.db2.gz LKZYSSYVXSFLNJ-VHSXEESVSA-N 0 1 257.299 3.724 20 0 CHADMN Cc1ccccc1CN(Cc1n[nH]c(C(C)(C)C)n1)C1CC1 ZINC000432936043 1121486869 /nfs/dbraw/zinc/48/68/69/1121486869.db2.gz GNSANPODPWLTEO-UHFFFAOYSA-N 0 1 298.434 3.575 20 0 CHADMN C[C@H]1C[C@@H](NCc2ccc(F)c3ccccc23)c2nccn21 ZINC000631152525 1128987547 /nfs/dbraw/zinc/98/75/47/1128987547.db2.gz QDDRISSDIDPGRE-YVEFUNNKSA-N 0 1 295.361 3.971 20 0 CHADMN COC(=O)c1cc([C@H](C)N(C)Cc2ccccc2)oc1C ZINC000432937653 1121488741 /nfs/dbraw/zinc/48/87/41/1121488741.db2.gz LLKYNNXKXQCVGV-LBPRGKRZSA-N 0 1 287.359 3.568 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc4scnc4c3)c2c1 ZINC001175911062 1121495378 /nfs/dbraw/zinc/49/53/78/1121495378.db2.gz CDTNONJMPXATHF-UHFFFAOYSA-N 0 1 280.356 3.526 20 0 CHADMN CCOc1ccccc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000236939012 1121495526 /nfs/dbraw/zinc/49/55/26/1121495526.db2.gz KASUTGJZVHLMKO-UHFFFAOYSA-N 0 1 291.778 3.734 20 0 CHADMN Fc1cc(CN2CC[C@H]3CC[C@@H](C2)S3)ccc1Cl ZINC000625778845 1121496398 /nfs/dbraw/zinc/49/63/98/1121496398.db2.gz QQUXMCLGDJLNPD-NEPJUHHUSA-N 0 1 285.815 3.949 20 0 CHADMN CC(C)(C)c1coc(CNCC[C@H]2CCC3(CCC3)O2)n1 ZINC000922968756 1121501653 /nfs/dbraw/zinc/50/16/53/1121501653.db2.gz PMMMOKBDEPXDHW-CYBMUJFWSA-N 0 1 292.423 3.554 20 0 CHADMN CSC[C@@H]1CCCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000429283942 1121506403 /nfs/dbraw/zinc/50/64/03/1121506403.db2.gz KNDPECMOAWLWTF-LLVKDONJSA-N 0 1 294.395 3.542 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H]2CCC(C)(C)CO2)c(C)s1 ZINC000711295152 1121516047 /nfs/dbraw/zinc/51/60/47/1121516047.db2.gz OLKHEAASXXDNMO-GWCFXTLKSA-N 0 1 282.453 3.616 20 0 CHADMN OCC[C@H](NCc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000631190949 1128990694 /nfs/dbraw/zinc/99/06/94/1128990694.db2.gz KRIHISLRDKXCMV-INIZCTEOSA-N 0 1 293.769 3.692 20 0 CHADMN Cc1ccc2sc(Nc3ccc4n[nH]nc4c3)nc2c1 ZINC001175997009 1121519477 /nfs/dbraw/zinc/51/94/77/1121519477.db2.gz XSCMJCBIMJYELV-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1ccc2sc(Nc3ccc4nn[nH]c4c3)nc2c1 ZINC001175997009 1121519481 /nfs/dbraw/zinc/51/94/81/1121519481.db2.gz XSCMJCBIMJYELV-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN FC(F)(F)c1ccccc1Nc1ccc2nn[nH]c2c1 ZINC001176005831 1121520506 /nfs/dbraw/zinc/52/05/06/1121520506.db2.gz LBXLFUVYAQRBEO-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN FC(F)(F)c1ccccc1Nc1ccc2n[nH]nc2c1 ZINC001176005831 1121520514 /nfs/dbraw/zinc/52/05/14/1121520514.db2.gz LBXLFUVYAQRBEO-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN Fc1ccc(-c2cc(CN(C3CC3)C3CC3)on2)cc1 ZINC000625837166 1121521062 /nfs/dbraw/zinc/52/10/62/1121521062.db2.gz FZXKGSQCSPHJOF-UHFFFAOYSA-N 0 1 272.323 3.608 20 0 CHADMN Fc1cc(Nc2ccc3nn[nH]c3c2)ccc1C(F)(F)F ZINC001176005076 1121521207 /nfs/dbraw/zinc/52/12/07/1121521207.db2.gz TWZNPTJVWNCCAE-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Fc1cc(Nc2ccc3n[nH]nc3c2)ccc1C(F)(F)F ZINC001176005076 1121521214 /nfs/dbraw/zinc/52/12/14/1121521214.db2.gz TWZNPTJVWNCCAE-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Oc1ccc2ccc(Nc3ccc4nn[nH]c4c3)cc2c1 ZINC001176002860 1121521293 /nfs/dbraw/zinc/52/12/93/1121521293.db2.gz VTYPGIJGJOSNKH-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN Oc1ccc2ccc(Nc3ccc4n[nH]nc4c3)cc2c1 ZINC001176002860 1121521295 /nfs/dbraw/zinc/52/12/95/1121521295.db2.gz VTYPGIJGJOSNKH-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN Cc1cncc2cccc(Nc3ccc4nn[nH]c4c3)c12 ZINC001176004445 1121521678 /nfs/dbraw/zinc/52/16/78/1121521678.db2.gz MZQAVZFMMXWTIL-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1cncc2cccc(Nc3ccc4n[nH]nc4c3)c12 ZINC001176004445 1121521685 /nfs/dbraw/zinc/52/16/85/1121521685.db2.gz MZQAVZFMMXWTIL-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Clc1cnc2c(cccc2Nc2ccc3nn[nH]c3c2)c1 ZINC001176005320 1121522283 /nfs/dbraw/zinc/52/22/83/1121522283.db2.gz WTCHTOBNKQEQEP-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1cnc2c(cccc2Nc2ccc3n[nH]nc3c2)c1 ZINC001176005320 1121522288 /nfs/dbraw/zinc/52/22/88/1121522288.db2.gz WTCHTOBNKQEQEP-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Cc1nc2cc(C)c(Nc3ccc4nn[nH]c4c3)cc2s1 ZINC001176003440 1121522464 /nfs/dbraw/zinc/52/24/64/1121522464.db2.gz GIKDUAAANCCALH-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN Cc1nc2cc(C)c(Nc3ccc4n[nH]nc4c3)cc2s1 ZINC001176003440 1121522469 /nfs/dbraw/zinc/52/24/69/1121522469.db2.gz GIKDUAAANCCALH-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN O=C([O-])c1csc(C[N@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000711386829 1121524373 /nfs/dbraw/zinc/52/43/73/1121524373.db2.gz YVAODNYHDPNLFI-AWEZNQCLSA-N 0 1 279.405 3.601 20 0 CHADMN CCC[C@@H](C)N(C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411158240 1121525862 /nfs/dbraw/zinc/52/58/62/1121525862.db2.gz FHBHMUNIGVJZPV-SNVBAGLBSA-N 0 1 293.798 3.609 20 0 CHADMN C[C@H](c1cccnc1)N(C)C/C=C\c1ccc(F)cc1 ZINC000543623611 1121531961 /nfs/dbraw/zinc/53/19/61/1121531961.db2.gz KRDMMWFECIQYHE-ZRUQZJFASA-N 0 1 270.351 3.927 20 0 CHADMN CC(C)CCCN1CCc2c(ncn2-c2ccccc2)C1 ZINC000429338515 1121532223 /nfs/dbraw/zinc/53/22/23/1121532223.db2.gz XRHIWWJVEGODOB-UHFFFAOYSA-N 0 1 283.419 3.667 20 0 CHADMN CCOC(=O)c1sc2ccccc2c1Nc1ncc[nH]1 ZINC001176080727 1121533868 /nfs/dbraw/zinc/53/38/68/1121533868.db2.gz WSHAMFWJDSCYSQ-UHFFFAOYSA-N 0 1 287.344 3.545 20 0 CHADMN CN(C/C=C\c1ccc(F)cc1F)Cc1cccc(O)c1 ZINC000543628286 1121534352 /nfs/dbraw/zinc/53/43/52/1121534352.db2.gz NJCDMABDTNUXSW-HYXAFXHYSA-N 0 1 289.325 3.816 20 0 CHADMN CC[C@@H](C)CCC(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000512690779 1121534532 /nfs/dbraw/zinc/53/45/32/1121534532.db2.gz OSWHLRIKGRRQAR-LLVKDONJSA-N 0 1 286.379 3.545 20 0 CHADMN Oc1cc(C(F)(F)F)cc(Cl)c1Nc1ncc[nH]1 ZINC001176085825 1121535724 /nfs/dbraw/zinc/53/57/24/1121535724.db2.gz QOSNYIXEBQHLRK-UHFFFAOYSA-N 0 1 277.633 3.531 20 0 CHADMN Cc1cc(CN(Cc2ccccc2C)C2CC2)c(C)nn1 ZINC000929367681 1121536101 /nfs/dbraw/zinc/53/61/01/1121536101.db2.gz CVVCEXDDZOEFQK-UHFFFAOYSA-N 0 1 281.403 3.566 20 0 CHADMN O=C([O-])c1csc(C[N@@H+](Cc2cccs2)C2CC2)c1 ZINC000711470973 1121537296 /nfs/dbraw/zinc/53/72/96/1121537296.db2.gz ZVXNFWURQIZWCN-UHFFFAOYSA-N 0 1 293.413 3.672 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2ncc(C3CC3)o2)C1(CC)CC ZINC000429355392 1121539822 /nfs/dbraw/zinc/53/98/22/1121539822.db2.gz OZBLDINECXZBBO-CABCVRRESA-N 0 1 292.423 3.625 20 0 CHADMN CCCc1csc(CN(C)[C@H]2CC[C@@H](C)C2)n1 ZINC000433059675 1121541717 /nfs/dbraw/zinc/54/17/17/1121541717.db2.gz USINZPFMJSXMMF-YPMHNXCESA-N 0 1 252.427 3.716 20 0 CHADMN C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2F)C1 ZINC000433060622 1121542786 /nfs/dbraw/zinc/54/27/86/1121542786.db2.gz ZLQCTHJDFTZWRH-MWLCHTKSSA-N 0 1 257.299 3.724 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CCC[C@H](c2ccccc2)C1 ZINC000433070110 1121549402 /nfs/dbraw/zinc/54/94/02/1121549402.db2.gz WZPPLOUECXKCNJ-BBRMVZONSA-N 0 1 297.402 3.888 20 0 CHADMN Cc1cc(C(=O)CN2CCC[C@H](c3ccccc3)C2)c(C)[nH]1 ZINC000433075102 1121550211 /nfs/dbraw/zinc/55/02/11/1121550211.db2.gz GMWPZCSEZYCKLI-KRWDZBQOSA-N 0 1 296.414 3.694 20 0 CHADMN Cc1cc(CN[C@H](C)c2cnc(C)s2)cs1 ZINC000631228817 1128993536 /nfs/dbraw/zinc/99/35/36/1128993536.db2.gz RKBLXYAZDYAMMS-SECBINFHSA-N 0 1 252.408 3.672 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000625971586 1121562728 /nfs/dbraw/zinc/56/27/28/1121562728.db2.gz JWYZAZQTMTXAJB-PYLYLYNFSA-N 0 1 273.376 3.563 20 0 CHADMN Cc1noc(C)c1Nc1nc(C(F)(F)F)cs1 ZINC001176177708 1121562717 /nfs/dbraw/zinc/56/27/17/1121562717.db2.gz WRHKCZBJFHRGMF-UHFFFAOYSA-N 0 1 263.244 3.510 20 0 CHADMN Cc1noc(C)c1Nc1nc2cc(C)ccc2s1 ZINC001176177066 1121563649 /nfs/dbraw/zinc/56/36/49/1121563649.db2.gz RRMPVCBXBJKRRB-UHFFFAOYSA-N 0 1 259.334 3.953 20 0 CHADMN Cc1ccc(CNCc2cccc(O)c2Cl)c(C)c1 ZINC000645146760 1121564578 /nfs/dbraw/zinc/56/45/78/1121564578.db2.gz QTXRLJAVJMFTJU-UHFFFAOYSA-N 0 1 275.779 3.952 20 0 CHADMN Cc1noc(C)c1Nc1nc2ccc(C)cc2s1 ZINC001176177862 1121564943 /nfs/dbraw/zinc/56/49/43/1121564943.db2.gz ZPYCUIGGCAZMNP-UHFFFAOYSA-N 0 1 259.334 3.953 20 0 CHADMN FC(F)CN(C[C@@H]1CCCC12CCOCC2)C1CCC1 ZINC001176193285 1121569711 /nfs/dbraw/zinc/56/97/11/1121569711.db2.gz PPLFQQXZMGLKEB-ZDUSSCGKSA-N 0 1 287.394 3.703 20 0 CHADMN CC(C)Oc1ccc(Nc2ccnc(CO)c2)c(Cl)c1 ZINC001176157082 1121570649 /nfs/dbraw/zinc/57/06/49/1121570649.db2.gz ISPIEJCPGUPKQG-UHFFFAOYSA-N 0 1 292.766 3.758 20 0 CHADMN CC[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CCCO1 ZINC000467567917 1121572199 /nfs/dbraw/zinc/57/21/99/1121572199.db2.gz SFQYJNPLRKJILN-AWEZNQCLSA-N 0 1 287.325 3.706 20 0 CHADMN FCC[C@@H]1CN(C2c3ccccc3-c3ccccc32)CCO1 ZINC000626003717 1121574114 /nfs/dbraw/zinc/57/41/14/1121574114.db2.gz PDPAOOVKZMVRLY-CQSZACIVSA-N 0 1 297.373 3.817 20 0 CHADMN COc1cccc2c1CN(C[C@@H]1CCCCC1(F)F)C2 ZINC000626023310 1121580989 /nfs/dbraw/zinc/58/09/89/1121580989.db2.gz DEWNEESXSLQOKY-ZDUSSCGKSA-N 0 1 281.346 3.836 20 0 CHADMN COc1cccc2c1OCC[C@@H]2NCc1ccsc1C ZINC000645155827 1121583056 /nfs/dbraw/zinc/58/30/56/1121583056.db2.gz SYAOZIHQDHIKLB-AWEZNQCLSA-N 0 1 289.400 3.679 20 0 CHADMN Oc1cccc2c1CCN(CCSc1ccccc1)C2 ZINC000626027271 1121584610 /nfs/dbraw/zinc/58/46/10/1121584610.db2.gz QPGSELDCRWPYHD-UHFFFAOYSA-N 0 1 285.412 3.543 20 0 CHADMN COc1cc(-c2ccccc2)ccc1CN(C)[C@@H]1CCOC1 ZINC000512774492 1121590420 /nfs/dbraw/zinc/59/04/20/1121590420.db2.gz XYWUFBFSQXSTOX-GOSISDBHSA-N 0 1 297.398 3.583 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccoc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671753232 1121599209 /nfs/dbraw/zinc/59/92/09/1121599209.db2.gz HGZMEJXJVIGYGB-ZJUUUORDSA-N 0 1 272.304 3.538 20 0 CHADMN CCCN(Cc1ncc(Br)s1)[C@@H](C)CC ZINC001142700137 1121604199 /nfs/dbraw/zinc/60/41/99/1121604199.db2.gz NMJIXLQOQJUFJW-VIFPVBQESA-N 0 1 291.258 3.916 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)CC(c1ccccc1)c1ccccc1 ZINC000318901953 1121605837 /nfs/dbraw/zinc/60/58/37/1121605837.db2.gz JXRQEYXMCGBRGM-GOSISDBHSA-N 0 1 297.398 3.614 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccc2cc(O)ccc2c1 ZINC001176384143 1121607241 /nfs/dbraw/zinc/60/72/41/1121607241.db2.gz JUWJBRUWKOBBMZ-UHFFFAOYSA-N 0 1 289.338 3.775 20 0 CHADMN CC(C)[C@@H]1C[C@H](N[C@H](CF)c2ccc(F)cc2)CCO1 ZINC000631283719 1128996723 /nfs/dbraw/zinc/99/67/23/1128996723.db2.gz MASNZLGFHBPSER-OAGGEKHMSA-N 0 1 283.362 3.630 20 0 CHADMN C[C@@H]1CC[C@H](N[C@H](CF)c2ccc(F)cc2)CS1 ZINC000631284532 1128996754 /nfs/dbraw/zinc/99/67/54/1128996754.db2.gz PPYZMGCCYSFZLU-DDTOSNHZSA-N 0 1 271.376 3.710 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)C[C@H]3C=CCC3)c2C1 ZINC000158283076 1121608971 /nfs/dbraw/zinc/60/89/71/1121608971.db2.gz TZSXVCCKWPXCHB-HNNXBMFYSA-N 0 1 298.430 3.953 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc4cc(O)ccc4c3)c2c1 ZINC001176386405 1121609149 /nfs/dbraw/zinc/60/91/49/1121609149.db2.gz KLKKZOKVFBUIMN-UHFFFAOYSA-N 0 1 289.338 3.775 20 0 CHADMN Cc1nc(CN(C)C2CCC(C(C)C)CC2)oc1C ZINC000433183268 1121610470 /nfs/dbraw/zinc/61/04/70/1121610470.db2.gz RWEAZMSNGODFCO-UHFFFAOYSA-N 0 1 264.413 3.938 20 0 CHADMN COc1cccc(CNCc2ccc(C)cc2C)c1F ZINC000192669172 1121613049 /nfs/dbraw/zinc/61/30/49/1121613049.db2.gz SBYCCWRUEUSRMJ-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN FC(F)n1ccnc1C[N@@H+](C1CC1)C1CCCCC1 ZINC000078533200 1121613212 /nfs/dbraw/zinc/61/32/12/1121613212.db2.gz UCBBGFLXQBOXSZ-UHFFFAOYSA-N 0 1 269.339 3.575 20 0 CHADMN FC(F)n1ccnc1CN(C1CC1)C1CCCCC1 ZINC000078533200 1121613215 /nfs/dbraw/zinc/61/32/15/1121613215.db2.gz UCBBGFLXQBOXSZ-UHFFFAOYSA-N 0 1 269.339 3.575 20 0 CHADMN CCOc1cccc(CNCc2scnc2C2CC2)c1 ZINC000486931061 1121615891 /nfs/dbraw/zinc/61/58/91/1121615891.db2.gz DXERCMCIIAEXLL-UHFFFAOYSA-N 0 1 288.416 3.709 20 0 CHADMN CO[C@@H](CC(C)C)CN1CCC[C@@H]1c1csc(C)n1 ZINC000419279618 1121616980 /nfs/dbraw/zinc/61/69/80/1121616980.db2.gz WAEJAXFPSXZJQG-DZGCQCFKSA-N 0 1 282.453 3.650 20 0 CHADMN Clc1ccc(CNCc2scnc2C2CC2)cc1 ZINC000486960852 1121618083 /nfs/dbraw/zinc/61/80/83/1121618083.db2.gz BJUGYOZPGVERIN-UHFFFAOYSA-N 0 1 278.808 3.964 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CC[C@H](COC(F)F)C1 ZINC000512840255 1121619710 /nfs/dbraw/zinc/61/97/10/1121619710.db2.gz MNRNHGPVXOLMMJ-UWVGGRQHSA-N 0 1 291.288 3.587 20 0 CHADMN CCC(C)(C)c1ccc(CN(C)Cc2cnn(C)c2)cc1 ZINC000509826671 1121625967 /nfs/dbraw/zinc/62/59/67/1121625967.db2.gz LMZZTMXKVPQRGK-UHFFFAOYSA-N 0 1 285.435 3.740 20 0 CHADMN C/C(=C\c1ccccc1)CN[C@@H](c1nccn1C)C1CC1 ZINC000512880399 1121629884 /nfs/dbraw/zinc/62/98/84/1121629884.db2.gz UCOBVJVFOGAPIH-ABDJAZHISA-N 0 1 281.403 3.564 20 0 CHADMN CN(CCc1ccccc1)Cc1cn2cc(Cl)ccc2n1 ZINC000051998502 1121630105 /nfs/dbraw/zinc/63/01/05/1121630105.db2.gz NCEWZFWAABTIBL-UHFFFAOYSA-N 0 1 299.805 3.662 20 0 CHADMN CCOC(=O)c1ncsc1NC=Cc1ccc(C)cc1 ZINC001176424074 1121631625 /nfs/dbraw/zinc/63/16/25/1121631625.db2.gz PKMTWCBYKWUNQZ-CMDGGOBGSA-N 0 1 288.372 3.711 20 0 CHADMN Cc1cc([C@H]2CCCCN2Cc2ccc3c(c2)CCC3)[nH]n1 ZINC001176485956 1121637847 /nfs/dbraw/zinc/63/78/47/1121637847.db2.gz QPDISWOEMURJGD-LJQANCHMSA-N 0 1 295.430 3.934 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H](CC)[C@H]2CC2(C)C)n1 ZINC000419312036 1121640618 /nfs/dbraw/zinc/64/06/18/1121640618.db2.gz FDKJOXBLVHGCAS-UTUOFQBUSA-N 0 1 297.468 3.798 20 0 CHADMN c1cc(CN(C[C@H]2CC3(CO2)CCCCC3)C2CC2)co1 ZINC001176505639 1121641270 /nfs/dbraw/zinc/64/12/70/1121641270.db2.gz QQQUJDHGPRGWGJ-QGZVFWFLSA-N 0 1 289.419 3.983 20 0 CHADMN C[C@@H](N[C@@H]1CS[C@H](C)C1)c1c(F)cccc1F ZINC000252149658 1121648368 /nfs/dbraw/zinc/64/83/68/1121648368.db2.gz OLCVUHJADOEQQY-BBBLOLIVSA-N 0 1 257.349 3.509 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCO[C@@H]2CCCC[C@@H]2C)on1 ZINC000052010387 1121649980 /nfs/dbraw/zinc/64/99/80/1121649980.db2.gz LPUOEUVXKFFHIE-CWRNSKLLSA-N 0 1 292.423 3.715 20 0 CHADMN CC(C)c1noc(CN(C)[C@H]2CCC[C@@H]2C(C)(C)C)n1 ZINC000419323744 1121654348 /nfs/dbraw/zinc/65/43/48/1121654348.db2.gz JFTXUSVRKJBHJQ-STQMWFEESA-N 0 1 279.428 3.840 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(OC)c(C)c2)o1 ZINC000513022069 1121664354 /nfs/dbraw/zinc/66/43/54/1121664354.db2.gz OJHZXJLWGJJELY-UHFFFAOYSA-N 0 1 273.376 3.791 20 0 CHADMN CC(C)Oc1ncccc1CN[C@@H]1CCc2ccccc21 ZINC000048760449 1121664805 /nfs/dbraw/zinc/66/48/05/1121664805.db2.gz UWLVOFPCAFGWAX-QGZVFWFLSA-N 0 1 282.387 3.646 20 0 CHADMN CC(=O)c1ccc(Nc2c(F)cc(F)c(O)c2F)cc1 ZINC001176669011 1121671090 /nfs/dbraw/zinc/67/10/90/1121671090.db2.gz BRIJYZUVFXKHKK-UHFFFAOYSA-N 0 1 281.233 3.756 20 0 CHADMN CC(=O)c1ccc(Nc2c(F)cc(F)c(O)c2F)c(F)c1 ZINC001176672029 1121673339 /nfs/dbraw/zinc/67/33/39/1121673339.db2.gz CPAUKEFBFUGTRV-UHFFFAOYSA-N 0 1 299.223 3.895 20 0 CHADMN C[C@H]1CCCCN1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000041362520 1121677726 /nfs/dbraw/zinc/67/77/26/1121677726.db2.gz LCMROHDAXUHOSK-LBPRGKRZSA-N 0 1 274.339 3.855 20 0 CHADMN COCCCCOc1ccc(CN2CCCC2)c(Cl)c1 ZINC000664100596 1121680849 /nfs/dbraw/zinc/68/08/49/1121680849.db2.gz JTSGSOKMZZGIMV-UHFFFAOYSA-N 0 1 297.826 3.741 20 0 CHADMN CCc1ccccc1NC(=O)[C@@H](C)N1CCC(CC)CC1 ZINC000052280076 1121682596 /nfs/dbraw/zinc/68/25/96/1121682596.db2.gz BYYRLJJFFMBWKD-CQSZACIVSA-N 0 1 288.435 3.698 20 0 CHADMN Cc1cc(CN(C)CCCOc2cccc(Cl)c2)on1 ZINC000052458122 1121688342 /nfs/dbraw/zinc/68/83/42/1121688342.db2.gz JYKSICHZOBHGPL-UHFFFAOYSA-N 0 1 294.782 3.537 20 0 CHADMN CCc1cnc(CN2CC[C@@H](c3ccc(C)cc3)C2)o1 ZINC000544186520 1121700173 /nfs/dbraw/zinc/70/01/73/1121700173.db2.gz CUMKGUPXZVOGDK-OAHLLOKOSA-N 0 1 270.376 3.535 20 0 CHADMN Cc1ccccc1-c1nc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)no1 ZINC000419371699 1121702614 /nfs/dbraw/zinc/70/26/14/1121702614.db2.gz LDCFDNOENMOOFR-MJBXVCDLSA-N 0 1 285.391 3.521 20 0 CHADMN CCCCOCCSc1nc2ccc(OCC)cc2[nH]1 ZINC000614382433 1121703213 /nfs/dbraw/zinc/70/32/13/1121703213.db2.gz YFUTYDYJYWLWBL-UHFFFAOYSA-N 0 1 294.420 3.870 20 0 CHADMN CCOCCC[N@@H+](CC)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001176964424 1121703519 /nfs/dbraw/zinc/70/35/19/1121703519.db2.gz BKOLKOUNGMIZNA-CYBMUJFWSA-N 0 1 296.480 3.516 20 0 CHADMN CCOCCCN(CC)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001176964424 1121703523 /nfs/dbraw/zinc/70/35/23/1121703523.db2.gz BKOLKOUNGMIZNA-CYBMUJFWSA-N 0 1 296.480 3.516 20 0 CHADMN C[C@@H]1CCc2nc(CNC3(C)CC(F)(F)C3)sc2C1 ZINC001119090723 1121704826 /nfs/dbraw/zinc/70/48/26/1121704826.db2.gz LGYOSOFQOLTRHH-SECBINFHSA-N 0 1 286.391 3.545 20 0 CHADMN Cc1nn(C)c(Cl)c1CN(C)C1CCCCCCC1 ZINC000727222015 1121707758 /nfs/dbraw/zinc/70/77/58/1121707758.db2.gz BYFHAFFKIROBHP-UHFFFAOYSA-N 0 1 283.847 3.927 20 0 CHADMN CCc1ccc2c(c1)CN([C@H](C)c1ccccn1)CC2 ZINC001177033616 1121708064 /nfs/dbraw/zinc/70/80/64/1121708064.db2.gz LQTJGBJIDRJTQM-CQSZACIVSA-N 0 1 266.388 3.763 20 0 CHADMN Clc1csc(CN(C2CCC2)C2CCC2)n1 ZINC000877547675 1121712403 /nfs/dbraw/zinc/71/24/03/1121712403.db2.gz GMJVBZBMQDPHBK-UHFFFAOYSA-N 0 1 256.802 3.704 20 0 CHADMN Cc1ncoc1CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC001177112892 1121713495 /nfs/dbraw/zinc/71/34/95/1121713495.db2.gz ZBMBSTOKECXATF-HNNXBMFYSA-N 0 1 276.767 3.877 20 0 CHADMN CSc1ccccc1NC(=S)N[C@H]1CC12CCC2 ZINC001249715198 1121714643 /nfs/dbraw/zinc/71/46/43/1121714643.db2.gz ROSWMZQCAFIRLX-LBPRGKRZSA-N 0 1 278.446 3.638 20 0 CHADMN CCCC(C)=CC(=O)N[C@@H](CC)c1nc2ccccc2[nH]1 ZINC000727342239 1121716119 /nfs/dbraw/zinc/71/61/19/1121716119.db2.gz XYYWQKQTFNXOGT-YLSINNKHSA-N 0 1 285.391 3.877 20 0 CHADMN Cc1cccc2nc(NC(=O)[C@@H]3C[C@@H]3c3cccs3)[nH]c21 ZINC001177531099 1121736526 /nfs/dbraw/zinc/73/65/26/1121736526.db2.gz SRJYFNFEDVHNDS-WDEREUQCSA-N 0 1 297.383 3.675 20 0 CHADMN C[C@@H]1c2ccsc2CCN1CCOc1ccccc1F ZINC000057645236 1121736877 /nfs/dbraw/zinc/73/68/77/1121736877.db2.gz QLMLTPGFKPLRDK-GFCCVEGCSA-N 0 1 291.391 3.885 20 0 CHADMN Cc1ccc(-c2cc(C(=O)O[C@@H](C)CC(C)C)[nH]n2)o1 ZINC000729080033 1121750207 /nfs/dbraw/zinc/75/02/07/1121750207.db2.gz IUYUTOKPYLTLDQ-NSHDSACASA-N 0 1 276.336 3.570 20 0 CHADMN Cc1c(Cl)cc(NC(=O)[C@H]2C[C@@H]2C)c(O)c1Cl ZINC001178561578 1121797709 /nfs/dbraw/zinc/79/77/09/1121797709.db2.gz RSEFHJDPQOUZNX-FSPLSTOPSA-N 0 1 274.147 3.602 20 0 CHADMN CCC(CC)CO[C@H]1CCN2Cc3ccccc3N=C12 ZINC001204937911 1121755184 /nfs/dbraw/zinc/75/51/84/1121755184.db2.gz AIGKTMJKFKBYSA-INIZCTEOSA-N 0 1 272.392 3.757 20 0 CHADMN Brc1ccc(C2(NCc3ccoc3)CC2)cc1 ZINC000728063295 1121759851 /nfs/dbraw/zinc/75/98/51/1121759851.db2.gz GCDWEJLTXMKMID-UHFFFAOYSA-N 0 1 292.176 3.821 20 0 CHADMN CCC[C@H](NCc1ccccc1CO)c1cc(C)ccn1 ZINC000631571354 1129007435 /nfs/dbraw/zinc/00/74/35/1129007435.db2.gz BNADEBPDDCLIDK-KRWDZBQOSA-N 0 1 284.403 3.513 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cc(C)cc(C)c1)CO2 ZINC001178003624 1121761347 /nfs/dbraw/zinc/76/13/47/1121761347.db2.gz SRWYCLUJFJPAAY-QGZVFWFLSA-N 0 1 267.372 3.835 20 0 CHADMN C[C@@H]1CCN(CCSC2CCCCC2)C[C@H]1F ZINC000619720652 1129007658 /nfs/dbraw/zinc/00/76/58/1129007658.db2.gz OEEQIWCHVRTMLI-TZMCWYRMSA-N 0 1 259.434 3.732 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)C1CCCC1)c1ncc[nH]1 ZINC000285950035 1121765188 /nfs/dbraw/zinc/76/51/88/1121765188.db2.gz GDLQTQTUDBCQHY-CZUORRHYSA-N 0 1 269.392 3.992 20 0 CHADMN CN1Cc2ccc(NC/C=C\c3cccc(F)c3)cc2C1 ZINC001178094937 1121767470 /nfs/dbraw/zinc/76/74/70/1121767470.db2.gz WFYDCCNMGSVDJV-HYXAFXHYSA-N 0 1 282.362 3.896 20 0 CHADMN CC(C)[C@H]1C[C@@H](N[C@H](C)c2ncc[nH]2)c2ccccc21 ZINC000287631693 1121770369 /nfs/dbraw/zinc/77/03/69/1121770369.db2.gz UEWTZSIRCCQMEZ-DAXOMENPSA-N 0 1 269.392 3.945 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cc(C(C)C)no1)CC2 ZINC000169263895 1121773707 /nfs/dbraw/zinc/77/37/07/1121773707.db2.gz CIUSYXVWNHNHJL-MRXNPFEDSA-N 0 1 270.376 3.884 20 0 CHADMN CCc1nc(C)c(CN[C@H](C)c2ccc(C)cc2)o1 ZINC000291890531 1121776394 /nfs/dbraw/zinc/77/63/94/1121776394.db2.gz KLUMHTKPNPIBRE-GFCCVEGCSA-N 0 1 258.365 3.705 20 0 CHADMN CCC/C=C/C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000729349485 1121777648 /nfs/dbraw/zinc/77/76/48/1121777648.db2.gz GHDNUWLSTMJYAD-CDVVCGDMSA-N 0 1 297.402 3.891 20 0 CHADMN Cc1ccnc(N)c1CNCc1ccc(C(C)(C)C)cc1 ZINC000894210441 1121782482 /nfs/dbraw/zinc/78/24/82/1121782482.db2.gz GJYLRWVJRLGZDB-UHFFFAOYSA-N 0 1 283.419 3.560 20 0 CHADMN COc1ccc(CN(C)CCSC2CCCCC2)cn1 ZINC000619719883 1129009069 /nfs/dbraw/zinc/00/90/69/1129009069.db2.gz KDYXBAONJNTZDB-UHFFFAOYSA-N 0 1 294.464 3.588 20 0 CHADMN C[C@H]1C[C@H](C)N1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878533290 1121790020 /nfs/dbraw/zinc/79/00/20/1121790020.db2.gz MSEHEQWQKUFQPP-RVBZMBCESA-N 0 1 274.191 3.510 20 0 CHADMN CCCn1cncc1CNCc1ccc(C2CCC2)cc1 ZINC001178487494 1121790466 /nfs/dbraw/zinc/79/04/66/1121790466.db2.gz HCDZUICMVHAVJR-UHFFFAOYSA-N 0 1 283.419 3.850 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cccnc1Cl)CC2 ZINC000730108409 1121791781 /nfs/dbraw/zinc/79/17/81/1121791781.db2.gz ACMHAAWYJHKMNA-HNNXBMFYSA-N 0 1 272.779 3.821 20 0 CHADMN COc1ccc2c(c1)CC[C@H]2NCc1cc(F)ccc1F ZINC000631578875 1129010004 /nfs/dbraw/zinc/01/00/04/1129010004.db2.gz BAXLVMFBJAONEW-QGZVFWFLSA-N 0 1 289.325 3.751 20 0 CHADMN COc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1c(C)noc1C ZINC000631582912 1129010208 /nfs/dbraw/zinc/01/02/08/1129010208.db2.gz OGUPFTREDPCXES-MGPLVRAMSA-N 0 1 286.375 3.638 20 0 CHADMN CC[C@@H](CNc1cccc2[nH]nnc21)c1ccccc1 ZINC001178754492 1121813802 /nfs/dbraw/zinc/81/38/02/1121813802.db2.gz OZPRYWMOJBDRQD-LBPRGKRZSA-N 0 1 266.348 3.564 20 0 CHADMN COc1ccc2nc(CNCC3=CCCCC3)sc2c1 ZINC001178824260 1121818925 /nfs/dbraw/zinc/81/89/25/1121818925.db2.gz WEJVKRVZYZCZGD-UHFFFAOYSA-N 0 1 288.416 3.895 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(C3CCC3)cc2)ncn1 ZINC000631600508 1129011930 /nfs/dbraw/zinc/01/19/30/1129011930.db2.gz AFAYYBVPIAVAFB-CQSZACIVSA-N 0 1 281.403 3.903 20 0 CHADMN CC1(C)C[C@@H]1NCc1c(F)cc(Br)cc1F ZINC001178930543 1121827081 /nfs/dbraw/zinc/82/70/81/1121827081.db2.gz FIMDJWKEJIEMQZ-NSHDSACASA-N 0 1 290.151 3.615 20 0 CHADMN Cc1ncoc1CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000894233436 1121835087 /nfs/dbraw/zinc/83/50/87/1121835087.db2.gz HTZVEWYPJGYIRZ-MRXNPFEDSA-N 0 1 274.339 3.753 20 0 CHADMN CN(CCc1cccs1)Cc1nc2c(s1)CCCC2 ZINC000175531649 1121835681 /nfs/dbraw/zinc/83/56/81/1121835681.db2.gz NNFDPXNCHHGARQ-UHFFFAOYSA-N 0 1 292.473 3.758 20 0 CHADMN C[C@@H](NCc1ccccn1)c1cccc(OC(F)(F)F)c1 ZINC000151167888 1121844909 /nfs/dbraw/zinc/84/49/09/1121844909.db2.gz JOTJVEVGFVOLTG-LLVKDONJSA-N 0 1 296.292 3.831 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H](C)Cc3ccccc3)cc2[nH]1 ZINC000345127914 1121848816 /nfs/dbraw/zinc/84/88/16/1121848816.db2.gz UTHNHJVVALSLAQ-LBPRGKRZSA-N 0 1 293.370 3.689 20 0 CHADMN C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000030379176 1121854578 /nfs/dbraw/zinc/85/45/78/1121854578.db2.gz UVXYJGMONQFOHI-GUYCJALGSA-N 0 1 297.402 3.727 20 0 CHADMN C[C@H](NCC1(C)CCCC1)c1nc(C(C)(C)C)no1 ZINC000731219421 1121856249 /nfs/dbraw/zinc/85/62/49/1121856249.db2.gz SVFROVZEAWKWBL-NSHDSACASA-N 0 1 265.401 3.598 20 0 CHADMN Cc1cccc2c1OCC[C@H]2N[C@@H]1CCCc2ncccc21 ZINC000631622916 1129014461 /nfs/dbraw/zinc/01/44/61/1129014461.db2.gz YDDJEFMOLCJHCF-QZTJIDSGSA-N 0 1 294.398 3.881 20 0 CHADMN Fc1cccc2c1OCC[C@@H]2N[C@H]1CCCc2ncccc21 ZINC000631620737 1129014470 /nfs/dbraw/zinc/01/44/70/1129014470.db2.gz HDEIPCZCLAKTGF-IRXDYDNUSA-N 0 1 298.361 3.712 20 0 CHADMN Cc1c([C@H](C)N[C@H](c2cccnc2)C2CC2)cnn1C(C)C ZINC000345278344 1121864969 /nfs/dbraw/zinc/86/49/69/1121864969.db2.gz SNQXMWKSQLOZFQ-UGSOOPFHSA-N 0 1 298.434 3.969 20 0 CHADMN Cc1c([C@@H](C)N[C@@H](c2cccnc2)C2CC2)cnn1C(C)C ZINC000345278341 1121865479 /nfs/dbraw/zinc/86/54/79/1121865479.db2.gz SNQXMWKSQLOZFQ-FZKQIMNGSA-N 0 1 298.434 3.969 20 0 CHADMN Fc1ccc(/C=C/CNCc2cccc(F)c2F)cc1 ZINC001179291292 1121868331 /nfs/dbraw/zinc/86/83/31/1121868331.db2.gz MRIPCJKHNUNDNY-NSCUHMNNSA-N 0 1 277.289 3.907 20 0 CHADMN c1snnc1CN[C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC001179277401 1121870250 /nfs/dbraw/zinc/87/02/50/1121870250.db2.gz FBQBWZKTFGGICI-CABCVRRESA-N 0 1 287.432 3.744 20 0 CHADMN O=C(/C=C/Sc1ccccc1)Nc1ccc2cncn2c1 ZINC001179310596 1121871059 /nfs/dbraw/zinc/87/10/59/1121871059.db2.gz ZAGULYBZOAGGJA-CMDGGOBGSA-N 0 1 295.367 3.579 20 0 CHADMN CCOc1c(Cl)cccc1CNCC(C)(C)F ZINC001179316010 1121872033 /nfs/dbraw/zinc/87/20/33/1121872033.db2.gz PXNRIAAHCANBDA-UHFFFAOYSA-N 0 1 259.752 3.576 20 0 CHADMN C[C@H](NCc1n[nH]c(C2CC2)n1)c1ccc(C2CCC2)cc1 ZINC000631634777 1129015584 /nfs/dbraw/zinc/01/55/84/1129015584.db2.gz NGTRJLHBHHXNJP-LBPRGKRZSA-N 0 1 296.418 3.800 20 0 CHADMN CCOc1ccc2nc(SCc3cccc(C)n3)[nH]c2c1 ZINC000345423167 1121882782 /nfs/dbraw/zinc/88/27/82/1121882782.db2.gz ZWMJYZWAPLKHGN-UHFFFAOYSA-N 0 1 299.399 3.957 20 0 CHADMN CC[C@@H]1CO[C@@H](CC)CN1CCCCC(F)(F)F ZINC000649718754 1129016732 /nfs/dbraw/zinc/01/67/32/1129016732.db2.gz FYIQCWPEAARVTI-NEPJUHHUSA-N 0 1 267.335 3.608 20 0 CHADMN CCN(Cc1ccccc1C)[C@@H](c1nccn1C)C1CC1 ZINC000637910407 1129235385 /nfs/dbraw/zinc/23/53/85/1129235385.db2.gz MZTXSMNSAWZHBT-QGZVFWFLSA-N 0 1 283.419 3.702 20 0 CHADMN CC(=CC(=O)Nc1ccc2nc[nH]c2c1)c1cccc(F)c1 ZINC000732064636 1121906042 /nfs/dbraw/zinc/90/60/42/1121906042.db2.gz XCOHSSUXFCOARY-YRNVUSSQSA-N 0 1 295.317 3.744 20 0 CHADMN CCCCCCC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000732160996 1121908695 /nfs/dbraw/zinc/90/86/95/1121908695.db2.gz CYIAPXJIOHYPBL-UHFFFAOYSA-N 0 1 293.798 3.803 20 0 CHADMN Clc1cnc(CNC[C@H]2C[C@@H]2C2CCCC2)s1 ZINC001179815246 1121912351 /nfs/dbraw/zinc/91/23/51/1121912351.db2.gz FFQSCKAGYIPEHZ-GHMZBOCLSA-N 0 1 270.829 3.712 20 0 CHADMN Cc1ccc(-c2cc(-c3nc(-c4ccccc4)no3)[nH]n2)o1 ZINC000345784737 1121915313 /nfs/dbraw/zinc/91/53/13/1121915313.db2.gz AFHKGVYODXOULI-UHFFFAOYSA-N 0 1 292.298 3.695 20 0 CHADMN CCn1ccc(CN2CCC[C@H]2c2cccc(C)c2C)n1 ZINC001179906230 1121929018 /nfs/dbraw/zinc/92/90/18/1121929018.db2.gz UYQNUSCJCYIDMR-SFHVURJKSA-N 0 1 283.419 3.857 20 0 CHADMN CC(C)(F)CN[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000631659961 1129019251 /nfs/dbraw/zinc/01/92/51/1129019251.db2.gz CWZDOGJCXZJUFP-OAHLLOKOSA-N 0 1 287.382 3.587 20 0 CHADMN CC[C@H](C)CN(CC)Cc1sc(N(C)C)nc1Cl ZINC001179979569 1121933101 /nfs/dbraw/zinc/93/31/01/1121933101.db2.gz JDUJUFJJTZPZKZ-JTQLQIEISA-N 0 1 289.876 3.731 20 0 CHADMN COc1ccc(CN2CCC(c3ccccc3F)CC2)o1 ZINC001180019452 1121938659 /nfs/dbraw/zinc/93/86/59/1121938659.db2.gz ZKMVNLSIHAFNKT-UHFFFAOYSA-N 0 1 289.350 3.807 20 0 CHADMN CN(CCC1CCCCC1)Cc1ncccc1F ZINC001180091946 1121941828 /nfs/dbraw/zinc/94/18/28/1121941828.db2.gz HFYCSGBJGXECRA-UHFFFAOYSA-N 0 1 250.361 3.623 20 0 CHADMN CC(C)COCCN[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000501026585 1121942523 /nfs/dbraw/zinc/94/25/23/1121942523.db2.gz CIWSLQHQWHOWNB-GFCCVEGCSA-N 0 1 284.469 3.764 20 0 CHADMN Fc1ccc([C@@H](N[C@@H]2CCCC23CC3)c2cnccn2)cc1 ZINC000631665984 1129019970 /nfs/dbraw/zinc/01/99/70/1129019970.db2.gz VOIJHVXEJLNHPW-IAGOWNOFSA-N 0 1 297.377 3.627 20 0 CHADMN COC(=O)CN(C[C@@H](C)c1ccc(C)cc1)C1CCCC1 ZINC001180064406 1121946030 /nfs/dbraw/zinc/94/60/30/1121946030.db2.gz HWGBHRMPEVMPTP-OAHLLOKOSA-N 0 1 289.419 3.516 20 0 CHADMN CCC[C@@H](C)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000501038823 1121946727 /nfs/dbraw/zinc/94/67/27/1121946727.db2.gz UPICANQIVHPQQF-DOMZBBRYSA-N 0 1 299.361 3.850 20 0 CHADMN Fc1ccc([C@@H]2CCCN2C[C@@H]2CCCCO2)cc1F ZINC000732989948 1121950811 /nfs/dbraw/zinc/95/08/11/1121950811.db2.gz XZXXYMQJJAUDMB-BBRMVZONSA-N 0 1 281.346 3.671 20 0 CHADMN CC(C)N(CCc1ccccc1)Cc1nccn1C(C)C ZINC001180153842 1121957886 /nfs/dbraw/zinc/95/78/86/1121957886.db2.gz LNUHYEZORCJJDJ-UHFFFAOYSA-N 0 1 285.435 3.917 20 0 CHADMN CCC[C@H](C)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000501137940 1121958566 /nfs/dbraw/zinc/95/85/66/1121958566.db2.gz DPHUPZNUAISMMS-SWLSCSKDSA-N 0 1 267.800 3.902 20 0 CHADMN C[C@@H]1c2cccn2CCN1CCSC1CCCCC1 ZINC000501144176 1121959344 /nfs/dbraw/zinc/95/93/44/1121959344.db2.gz UFCGZOHRQSZTSR-CQSZACIVSA-N 0 1 278.465 3.931 20 0 CHADMN CNc1ccc(C)cc1CN(Cc1ccccn1)C(C)C ZINC001180164779 1121960625 /nfs/dbraw/zinc/96/06/25/1121960625.db2.gz AXDQKEVHQQVKED-UHFFFAOYSA-N 0 1 283.419 3.842 20 0 CHADMN Cc1nc2cc(NC[C@@H]3CC=CCC3)ccc2n1[C@@H](C)CO ZINC000419763204 1121966689 /nfs/dbraw/zinc/96/66/89/1121966689.db2.gz NIYPBAXEIGDDLP-DZGCQCFKSA-N 0 1 299.418 3.666 20 0 CHADMN Fc1ccc2c(c1)nccc2NC[C@H]1CC1(Cl)Cl ZINC000733300848 1121972349 /nfs/dbraw/zinc/97/23/49/1121972349.db2.gz WPJMQCPUHXMDGO-MRVPVSSYSA-N 0 1 285.149 3.980 20 0 CHADMN CC(C)c1cnc(CN2CC[C@H](c3ccccc3)C2)o1 ZINC000733308942 1121973515 /nfs/dbraw/zinc/97/35/15/1121973515.db2.gz VXLYDAXDCCSLBH-HNNXBMFYSA-N 0 1 270.376 3.788 20 0 CHADMN CO[C@@H](CNCc1ccc2ccccc2c1)C(F)(F)F ZINC000733329274 1121977938 /nfs/dbraw/zinc/97/79/38/1121977938.db2.gz BLAQRDHMVNKRPA-AWEZNQCLSA-N 0 1 283.293 3.507 20 0 CHADMN C[C@@]1(F)CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000501428723 1121978348 /nfs/dbraw/zinc/97/83/48/1121978348.db2.gz UKDXSFCLUNHFRW-QGZVFWFLSA-N 0 1 273.351 3.653 20 0 CHADMN C[C@@]1(F)CCN(CCOc2ccc3ccccc3c2)C1 ZINC000501428723 1121978352 /nfs/dbraw/zinc/97/83/52/1121978352.db2.gz UKDXSFCLUNHFRW-QGZVFWFLSA-N 0 1 273.351 3.653 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2cc(Cl)ccc2F)C1 ZINC001180375049 1121980731 /nfs/dbraw/zinc/98/07/31/1121980731.db2.gz CRHXKNCTESOMAD-QWRGUYRKSA-N 0 1 255.764 3.957 20 0 CHADMN CN(CCOc1ccc(F)cc1)Cc1cccn1C(F)F ZINC001180437444 1121988123 /nfs/dbraw/zinc/98/81/23/1121988123.db2.gz HNCSWXXCVIYQQE-UHFFFAOYSA-N 0 1 298.308 3.533 20 0 CHADMN C[C@@H](CCc1ccco1)N=c1nc(-c2ccccc2)[nH]s1 ZINC000501562777 1121988136 /nfs/dbraw/zinc/98/81/36/1121988136.db2.gz BISBPXKPRDRAAG-LBPRGKRZSA-N 0 1 299.399 3.653 20 0 CHADMN CC[C@H](OC(=O)c1[nH]nc2c1CCCC2)c1ccccc1 ZINC000733436671 1121988513 /nfs/dbraw/zinc/98/85/13/1121988513.db2.gz PDANCSJAXKZQIS-HNNXBMFYSA-N 0 1 284.359 3.597 20 0 CHADMN CC[C@H](OC(=O)c1cc(-c2ccco2)n[nH]1)c1ccccc1 ZINC000733435418 1121988758 /nfs/dbraw/zinc/98/87/58/1121988758.db2.gz ZXPBVSPCIYNVIX-HNNXBMFYSA-N 0 1 296.326 3.978 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1Cc1cc2c(cccc2O)s1 ZINC001180530978 1121994264 /nfs/dbraw/zinc/99/42/64/1121994264.db2.gz AOTKYNVEMSNFSQ-VXGBXAGGSA-N 0 1 291.416 3.606 20 0 CHADMN CCC[C@H](CN(Cc1ccc(F)cc1F)C1CC1)OC ZINC001180558864 1121999133 /nfs/dbraw/zinc/99/91/33/1121999133.db2.gz XUUSAGQRWQHXQG-OAHLLOKOSA-N 0 1 283.362 3.744 20 0 CHADMN CCC1(CC)CN(Cc2cc(F)ccc2OC)CCS1 ZINC001180622702 1122000357 /nfs/dbraw/zinc/00/03/57/1122000357.db2.gz ITEXLARMWYALAU-UHFFFAOYSA-N 0 1 297.439 3.942 20 0 CHADMN Cc1ccc(CN[C@H]2CSCCc3ccccc32)o1 ZINC000631728430 1129024247 /nfs/dbraw/zinc/02/42/47/1129024247.db2.gz PJJWWUFCRLGKHH-INIZCTEOSA-N 0 1 273.401 3.708 20 0 CHADMN CCCN(CCC(C)(C)SC)CC(=O)OC(C)(C)C ZINC001180673814 1122006260 /nfs/dbraw/zinc/00/62/60/1122006260.db2.gz RAVJBMVOUFCPCM-UHFFFAOYSA-N 0 1 289.485 3.572 20 0 CHADMN C[C@@H]1CCN(Cc2cc(-c3cccs3)on2)C[C@@H]1C ZINC000501789520 1122007779 /nfs/dbraw/zinc/00/77/79/1122007779.db2.gz LUUUNVYLZOYSIK-NEPJUHHUSA-N 0 1 276.405 3.881 20 0 CHADMN Cc1ccc(CN[C@H](CC(C)C)c2ccncc2)o1 ZINC000631729288 1129024715 /nfs/dbraw/zinc/02/47/15/1129024715.db2.gz AYBZJCAATSCTSH-MRXNPFEDSA-N 0 1 258.365 3.860 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Oc3ccccc3)nn2)C[C@H]1C ZINC000501791894 1122009205 /nfs/dbraw/zinc/00/92/05/1122009205.db2.gz HQNRIIOTNDHYIO-HUUCEWRRSA-N 0 1 297.402 3.747 20 0 CHADMN C[C@@H]1CCN(Cc2csc(C(C)(C)C)n2)C[C@H]1C ZINC000501794821 1122010626 /nfs/dbraw/zinc/01/06/26/1122010626.db2.gz XIUJPAOOFNMRNI-VXGBXAGGSA-N 0 1 266.454 3.919 20 0 CHADMN Cc1ccc([C@H](C)c2noc(C34CCCN3CCC4)n2)cc1 ZINC000420501513 1122018433 /nfs/dbraw/zinc/01/84/33/1122018433.db2.gz HPRQUFWDMJDHSK-AWEZNQCLSA-N 0 1 297.402 3.615 20 0 CHADMN C[C@@H](CC1CCC1)N[C@H](c1ncc[nH]1)c1ccccc1 ZINC000631738575 1129026043 /nfs/dbraw/zinc/02/60/43/1129026043.db2.gz PSCWTQPEUMKRCM-BBRMVZONSA-N 0 1 269.392 3.667 20 0 CHADMN CC(C)(C)c1csc(CN2C[C@@H]3CCC[C@H]3C2)n1 ZINC000153221237 1129026137 /nfs/dbraw/zinc/02/61/37/1129026137.db2.gz NARLMIIBGAQZPI-RYUDHWBXSA-N 0 1 264.438 3.673 20 0 CHADMN COc1cccc(CNCc2ccc(C)c(F)c2)c1F ZINC000192663237 1129026143 /nfs/dbraw/zinc/02/61/43/1129026143.db2.gz FRDDHGFEWRTAAH-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN Cc1cc(CN2CCO[C@@H](C3CCC3)C2)cc2cccnc12 ZINC000414476412 1122039345 /nfs/dbraw/zinc/03/93/45/1122039345.db2.gz XNNRUGGSARFRMW-GOSISDBHSA-N 0 1 296.414 3.544 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)CCCO2 ZINC000631754650 1129027567 /nfs/dbraw/zinc/02/75/67/1129027567.db2.gz NHXSDDXIQDPPMT-GRYCIOLGSA-N 0 1 289.272 3.580 20 0 CHADMN Cc1[nH]nc(CN2C[C@@H](C(C)C)c3ccccc32)c1C ZINC001181371856 1122050372 /nfs/dbraw/zinc/05/03/72/1122050372.db2.gz GTQBYZOTEYAKIH-HNNXBMFYSA-N 0 1 269.392 3.786 20 0 CHADMN CCCc1ccc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)s1 ZINC001181374519 1122050700 /nfs/dbraw/zinc/05/07/00/1122050700.db2.gz ZDDKUFGRFLUZHV-LRDDRELGSA-N 0 1 279.449 3.700 20 0 CHADMN CC[C@@H](NCc1occc1C)c1ccc2c(c1)CCO2 ZINC000293621919 1129028063 /nfs/dbraw/zinc/02/80/63/1129028063.db2.gz JSLSQWCNWIOXGB-OAHLLOKOSA-N 0 1 271.360 3.764 20 0 CHADMN CC(C)Sc1ccc(CN2CC[C@]23CCOC3)cc1 ZINC000421018148 1122065117 /nfs/dbraw/zinc/06/51/17/1122065117.db2.gz KQWVPGRKRFHGBZ-MRXNPFEDSA-N 0 1 277.433 3.552 20 0 CHADMN CC[C@@H](C)CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000421088545 1122070591 /nfs/dbraw/zinc/07/05/91/1122070591.db2.gz RMIMTQYCSYCJNQ-MRVPVSSYSA-N 0 1 296.321 3.668 20 0 CHADMN CC[C@@H](N[C@H]1CCCn2nccc21)c1cc(C)ccc1OC ZINC000631809589 1129030109 /nfs/dbraw/zinc/03/01/09/1129030109.db2.gz LBNWTHFEBKXXGV-CVEARBPZSA-N 0 1 299.418 3.776 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](c2ccc(C)cc2)C2CC2)nn1C ZINC000502394393 1122082575 /nfs/dbraw/zinc/08/25/75/1122082575.db2.gz UPZKEOQTPQEVGA-KDOFPFPSSA-N 0 1 283.419 3.839 20 0 CHADMN CC[C@](C)(NCCO[C@@H]1CCCC[C@@H]1C)c1nccs1 ZINC000072684859 1122102393 /nfs/dbraw/zinc/10/23/93/1122102393.db2.gz VNHWKUHEMAWUHJ-LZWOXQAQSA-N 0 1 296.480 3.953 20 0 CHADMN C[C@@H](N[C@H]1CCCn2nccc21)c1cnc2ccsc2c1 ZINC000631810079 1129031297 /nfs/dbraw/zinc/03/12/97/1129031297.db2.gz WDJCBARUSGPBAW-YPMHNXCESA-N 0 1 298.415 3.679 20 0 CHADMN Cc1cccc(CN(C)Cc2cccc3[nH]c(=O)oc32)c1C ZINC001182009025 1122106473 /nfs/dbraw/zinc/10/64/73/1122106473.db2.gz YAVDHJZPBAHZQU-UHFFFAOYSA-N 0 1 296.370 3.782 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@H]2CC23CCSCC3)c1Cl ZINC000421386705 1122108141 /nfs/dbraw/zinc/10/81/41/1122108141.db2.gz ROLAKGXSVQKNLR-GFCCVEGCSA-N 0 1 297.851 3.669 20 0 CHADMN Cc1nn(-c2ccccc2)cc1CN[C@@H]1CCCC[C@H]1F ZINC000414516580 1122112169 /nfs/dbraw/zinc/11/21/69/1122112169.db2.gz XDLCNFHEGFRLMQ-IAGOWNOFSA-N 0 1 287.382 3.551 20 0 CHADMN CC(C)[C@H]1N(Cc2cc(F)cc(F)c2)CC1(C)C ZINC001182099096 1122112278 /nfs/dbraw/zinc/11/22/78/1122112278.db2.gz LAMKALURCJYSRF-CQSZACIVSA-N 0 1 253.336 3.831 20 0 CHADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000263066230 1129032440 /nfs/dbraw/zinc/03/24/40/1129032440.db2.gz OESCYNIFKZXSBW-NEPJUHHUSA-N 0 1 295.448 3.588 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](Cc2cccnc2Cl)CC1 ZINC000071029224 1129032639 /nfs/dbraw/zinc/03/26/39/1129032639.db2.gz VWABANMOVIMBKY-ZDUSSCGKSA-N 0 1 266.816 3.993 20 0 CHADMN CC(C)[C@H]1N(Cc2c(F)cccc2F)CC12CCOCC2 ZINC000414530493 1122136582 /nfs/dbraw/zinc/13/65/82/1122136582.db2.gz QNHPXCMVCYKDLF-MRXNPFEDSA-N 0 1 295.373 3.602 20 0 CHADMN CCN(CC(=O)c1ccccc1F)C1CCCCC1 ZINC000034989627 1122139490 /nfs/dbraw/zinc/13/94/90/1122139490.db2.gz JBPZHENHYIUQAX-UHFFFAOYSA-N 0 1 263.356 3.663 20 0 CHADMN Cc1cc(C(=O)CN(C)[C@H]2CC[C@@H](C)C2)c(C)n1C1CC1 ZINC000429591646 1122141634 /nfs/dbraw/zinc/14/16/34/1122141634.db2.gz OOCKGEJIXRGEPC-WBMJQRKESA-N 0 1 288.435 3.743 20 0 CHADMN Cc1cc(C(=O)CN(C)[C@H]2CC[C@H](C)C2)c(C)n1C1CC1 ZINC000429591642 1122141898 /nfs/dbraw/zinc/14/18/98/1122141898.db2.gz OOCKGEJIXRGEPC-LRDDRELGSA-N 0 1 288.435 3.743 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnn1C)c1ccc(Cl)c(F)c1 ZINC000774265376 1122149876 /nfs/dbraw/zinc/14/98/76/1122149876.db2.gz DNNXEUBDVICEKY-ZJUUUORDSA-N 0 1 281.762 3.624 20 0 CHADMN CCCC1CCC(CN[C@@H](C)c2csnn2)CC1 ZINC000414551983 1122153563 /nfs/dbraw/zinc/15/35/63/1122153563.db2.gz QLHIKVHONJKZBV-HIFPTAJRSA-N 0 1 267.442 3.795 20 0 CHADMN CCOc1cccc(CN2CCc3ccccc3[C@@H]2C)n1 ZINC000353400335 1122155428 /nfs/dbraw/zinc/15/54/28/1122155428.db2.gz FFXBZIKSDSSDFY-AWEZNQCLSA-N 0 1 282.387 3.600 20 0 CHADMN Cc1ccccc1[C@@]1(F)CCN(Cc2ccc(CO)cc2)C1 ZINC000502902058 1122156866 /nfs/dbraw/zinc/15/68/66/1122156866.db2.gz GCUJTVCWZCINEK-LJQANCHMSA-N 0 1 299.389 3.558 20 0 CHADMN C[C@@H](CCNCc1nnc(C2CC2)s1)c1ccccc1 ZINC000414557268 1122158174 /nfs/dbraw/zinc/15/81/74/1122158174.db2.gz PVJBERLVGQGTDU-LBPRGKRZSA-N 0 1 287.432 3.699 20 0 CHADMN C[C@H](NC[C@@H]1C[C@@H]1c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000503001699 1122161746 /nfs/dbraw/zinc/16/17/46/1122161746.db2.gz AMLFLDGIUSWLPF-AEGPPILISA-N 0 1 299.418 3.821 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3c(c2)CCCC3)C[C@H](CC)O1 ZINC001182462315 1122165567 /nfs/dbraw/zinc/16/55/67/1122165567.db2.gz OZWVRCBCYKPWRX-KDURUIRLSA-N 0 1 287.447 3.955 20 0 CHADMN C[C@@H](NCCc1csc(C(C)(C)C)n1)c1cscn1 ZINC000271569212 1122168450 /nfs/dbraw/zinc/16/84/50/1122168450.db2.gz VLVQWNRFZUUUKU-SNVBAGLBSA-N 0 1 295.477 3.790 20 0 CHADMN Cc1cccc([C@@H](NCc2ccno2)C(C)(C)C)c1 ZINC000271747065 1122174132 /nfs/dbraw/zinc/17/41/32/1122174132.db2.gz XSRGDTFKNDBMQT-OAHLLOKOSA-N 0 1 258.365 3.860 20 0 CHADMN Cc1ccn2cc(CN[C@H](c3ccccc3)C3CC3)nc2c1 ZINC000271776094 1122175634 /nfs/dbraw/zinc/17/56/34/1122175634.db2.gz UYNHRBLBZKXIAT-LJQANCHMSA-N 0 1 291.398 3.884 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(F)c1F)c1cccc(CO)c1 ZINC000271830136 1122177763 /nfs/dbraw/zinc/17/77/63/1122177763.db2.gz AEKJDQPXTZSIJM-NEPJUHHUSA-N 0 1 291.341 3.869 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2nccc3ccccc32)[C@@H](C)CO1 ZINC001182694622 1122183437 /nfs/dbraw/zinc/18/34/37/1122183437.db2.gz VHNQNQDHBQVEQN-OFQRWUPVSA-N 0 1 284.403 3.795 20 0 CHADMN CO[C@H](c1ccccc1F)[C@H](C)NCc1occc1C ZINC000271982384 1122185726 /nfs/dbraw/zinc/18/57/26/1122185726.db2.gz JRCXWVQGVCJPMX-LRDDRELGSA-N 0 1 277.339 3.593 20 0 CHADMN CCCn1cc(C[N@H+]2CCc3ccccc3[C@@H](C)C2)c(C)n1 ZINC001182733586 1122186402 /nfs/dbraw/zinc/18/64/02/1122186402.db2.gz ABESGQRGFKBCNH-HNNXBMFYSA-N 0 1 297.446 3.763 20 0 CHADMN C[C@H](N[C@H]1CCCOc2cc(F)ccc21)c1cncs1 ZINC000272012727 1122186666 /nfs/dbraw/zinc/18/66/66/1122186666.db2.gz MFCBFSLZACSSBR-GWCFXTLKSA-N 0 1 292.379 3.847 20 0 CHADMN Cc1cc2[nH]ncc2cc1Cc1ccc(F)c(F)c1 ZINC001250089278 1122188128 /nfs/dbraw/zinc/18/81/28/1122188128.db2.gz QQPSDDBPNNYPQJ-UHFFFAOYSA-N 0 1 258.271 3.740 20 0 CHADMN COCC[C@@H](NCc1ccccc1C)c1ccc(C)o1 ZINC000272136712 1122191207 /nfs/dbraw/zinc/19/12/07/1122191207.db2.gz BCGDBNFFVMMZAD-MRXNPFEDSA-N 0 1 273.376 3.764 20 0 CHADMN C[C@@]1(CNCc2c(Cl)ccnc2Cl)CC1(F)F ZINC001182941566 1122195556 /nfs/dbraw/zinc/19/55/56/1122195556.db2.gz MULLMKAUIVAIQH-JTQLQIEISA-N 0 1 281.133 3.523 20 0 CHADMN CCCN(Cc1ccccc1F)Cc1cccc(F)c1N ZINC001182910964 1122195652 /nfs/dbraw/zinc/19/56/52/1122195652.db2.gz STPNOANSDASFPX-UHFFFAOYSA-N 0 1 290.357 3.959 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@@H](C)C(C)(C)C)c(Cl)n1 ZINC000688562234 1129037714 /nfs/dbraw/zinc/03/77/14/1129037714.db2.gz XMZGWVPODWEHJP-NSHDSACASA-N 0 1 254.805 3.910 20 0 CHADMN Cc1ccc(CN(C)[C@@H](C)C(C)(C)C)c(Cl)n1 ZINC000688562234 1129037717 /nfs/dbraw/zinc/03/77/17/1129037717.db2.gz XMZGWVPODWEHJP-NSHDSACASA-N 0 1 254.805 3.910 20 0 CHADMN Fc1cc(F)cc(Cc2cc3[nH]ncc3c(F)c2)c1 ZINC001250096568 1122199273 /nfs/dbraw/zinc/19/92/73/1122199273.db2.gz VOEVXHDCNMNCNF-UHFFFAOYSA-N 0 1 262.234 3.571 20 0 CHADMN COCC[C@H](N[C@H]1CCc2ccc(F)cc21)c1ccco1 ZINC000272414861 1122201072 /nfs/dbraw/zinc/20/10/72/1122201072.db2.gz HCGLELNVBJLGCJ-HOTGVXAUSA-N 0 1 289.350 3.773 20 0 CHADMN O=C(Nc1csc2ccccc12)[C@@H]1CCCc2[nH]ncc21 ZINC000272452422 1122202401 /nfs/dbraw/zinc/20/24/01/1122202401.db2.gz JRVJDPITYXBTFX-SNVBAGLBSA-N 0 1 297.383 3.683 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1csc(C)c1C ZINC000272428224 1122202594 /nfs/dbraw/zinc/20/25/94/1122202594.db2.gz IWUBPERZROUHEA-UHFFFAOYSA-N 0 1 285.319 3.586 20 0 CHADMN COCC[C@@H](NCc1cccc(C)c1C)c1ccco1 ZINC000272512255 1122205176 /nfs/dbraw/zinc/20/51/76/1122205176.db2.gz HUZVVCLEQDVIGZ-MRXNPFEDSA-N 0 1 273.376 3.764 20 0 CHADMN CC(C)CCN[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000272959387 1122216075 /nfs/dbraw/zinc/21/60/75/1122216075.db2.gz ZKLCVAKKZOUQFV-OAHLLOKOSA-N 0 1 291.826 3.799 20 0 CHADMN CCOc1ccccc1CNc1ccc2c(n1)CCCC2 ZINC001203565662 1122217960 /nfs/dbraw/zinc/21/79/60/1122217960.db2.gz HAVBRUDMVSPVRX-UHFFFAOYSA-N 0 1 282.387 3.971 20 0 CHADMN CC[C@@H]1[C@@H](C)CCN1Cn1ccn(C(C)C)c1=S ZINC000774619716 1122219879 /nfs/dbraw/zinc/21/98/79/1122219879.db2.gz RCIUFINUNKHSDD-QWHCGFSZSA-N 0 1 267.442 3.678 20 0 CHADMN COCC[C@H](NCc1c(C)cccc1C)c1ccco1 ZINC000273225855 1122224758 /nfs/dbraw/zinc/22/47/58/1122224758.db2.gz DXYMTRDSYNVJDO-INIZCTEOSA-N 0 1 273.376 3.764 20 0 CHADMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCCF ZINC000273264825 1122225341 /nfs/dbraw/zinc/22/53/41/1122225341.db2.gz GLNILQBHZOARBR-VIFPVBQESA-N 0 1 282.359 3.878 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1coc2ccccc21 ZINC000924949440 1122229019 /nfs/dbraw/zinc/22/90/19/1122229019.db2.gz LFCGEKCXNBCDLI-NEPJUHHUSA-N 0 1 283.375 3.887 20 0 CHADMN C[C@@]1(c2ccccc2)CC[C@@H](N2CCn3cccc3C2)C1 ZINC001183737540 1122238026 /nfs/dbraw/zinc/23/80/26/1122238026.db2.gz AEICAVBUGXCACW-IEBWSBKVSA-N 0 1 280.415 3.814 20 0 CHADMN O=C(c1cccc2[nH]c(-c3cccs3)nc21)N1CCCC1 ZINC000273554821 1122238983 /nfs/dbraw/zinc/23/89/83/1122238983.db2.gz WJACZBFCAHMBEW-UHFFFAOYSA-N 0 1 297.383 3.527 20 0 CHADMN CCSCCN[C@H](c1cccc(F)c1)c1ccccn1 ZINC000273697359 1122244102 /nfs/dbraw/zinc/24/41/02/1122244102.db2.gz IWJRPTFSMUJQFJ-MRXNPFEDSA-N 0 1 290.407 3.653 20 0 CHADMN CCSCCN[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000273697356 1122244312 /nfs/dbraw/zinc/24/43/12/1122244312.db2.gz IWJRPTFSMUJQFJ-INIZCTEOSA-N 0 1 290.407 3.653 20 0 CHADMN CC[C@H](CC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1)C(C)(C)C ZINC000632199325 1129041645 /nfs/dbraw/zinc/04/16/45/1129041645.db2.gz WSPFHJLBKAMOMP-NWDGAFQWSA-N 0 1 294.443 3.568 20 0 CHADMN C[C@@H]1C[C@H]1N[C@H](c1cc2ccccc2o1)c1ccccn1 ZINC000924952570 1122254051 /nfs/dbraw/zinc/25/40/51/1122254051.db2.gz XGRWRHCFPRMUJH-DWQUBVKVSA-N 0 1 278.355 3.915 20 0 CHADMN Cc1ccsc1CNCc1cccc(OC(C)(C)C)n1 ZINC000503288679 1122254625 /nfs/dbraw/zinc/25/46/25/1122254625.db2.gz GAQVASQAQKMEKZ-UHFFFAOYSA-N 0 1 290.432 3.919 20 0 CHADMN C[C@@H]1C[C@@H]1N[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000924953072 1122255713 /nfs/dbraw/zinc/25/57/13/1122255713.db2.gz ZVIONAQIIDOVQO-XFBWCDHKSA-N 0 1 272.779 3.822 20 0 CHADMN CCCC[C@@H](C)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000503491840 1122263261 /nfs/dbraw/zinc/26/32/61/1122263261.db2.gz SOVWLMUMQIKQHL-CABCVRRESA-N 0 1 294.439 3.605 20 0 CHADMN CCOc1cc(C)ccc1CNCc1ccc(OC)cc1 ZINC000153437713 1122264405 /nfs/dbraw/zinc/26/44/05/1122264405.db2.gz SWVMBGHPKVWKMJ-UHFFFAOYSA-N 0 1 285.387 3.692 20 0 CHADMN COc1ccc(OC)c(CN(C)Cc2cccc(C)c2)c1 ZINC000503639885 1122271208 /nfs/dbraw/zinc/27/12/08/1122271208.db2.gz QLDULBBLWFRRQF-UHFFFAOYSA-N 0 1 285.387 3.644 20 0 CHADMN C[C@@H]1CN(Cc2c(Cl)ccnc2F)[C@H]2CCCC[C@@H]12 ZINC001204960929 1122277205 /nfs/dbraw/zinc/27/72/05/1122277205.db2.gz LOFMWEMUXUSULZ-SUNKGSAMSA-N 0 1 282.790 3.885 20 0 CHADMN CCc1cc(OC)ccc1CN(C)Cc1ccc(C)o1 ZINC000503938587 1122279829 /nfs/dbraw/zinc/27/98/29/1122279829.db2.gz VDXXGNUMKWQCNC-UHFFFAOYSA-N 0 1 273.376 3.791 20 0 CHADMN CC1(C)CC[C@H](CNCc2c(F)cccc2Cl)OC1 ZINC000711293454 1122279881 /nfs/dbraw/zinc/27/98/81/1122279881.db2.gz DPTYIRVJAFOLLI-LLVKDONJSA-N 0 1 285.790 3.774 20 0 CHADMN CCC(N)=NOCc1nc(-c2ccccc2Cl)cs1 ZINC000774751079 1122280333 /nfs/dbraw/zinc/28/03/33/1122280333.db2.gz POLQTWRWEVZXRX-UHFFFAOYSA-N 0 1 295.795 3.872 20 0 CHADMN CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccccc1F ZINC000503992217 1122283543 /nfs/dbraw/zinc/28/35/43/1122283543.db2.gz UPOFDHRBXRJJFP-UHFFFAOYSA-N 0 1 273.351 3.856 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1ccccc1F ZINC000503992217 1122283546 /nfs/dbraw/zinc/28/35/46/1122283546.db2.gz UPOFDHRBXRJJFP-UHFFFAOYSA-N 0 1 273.351 3.856 20 0 CHADMN C[C@H]1C[C@H](C)CN(c2ccncc2C(F)(F)F)C1 ZINC001184617871 1122288816 /nfs/dbraw/zinc/28/88/16/1122288816.db2.gz SGHSIFZBVCFVNZ-UWVGGRQHSA-N 0 1 258.287 3.583 20 0 CHADMN Oc1ccc(CN2CCC[C@H](CF)C2)cc1C(F)(F)F ZINC000711499042 1122296764 /nfs/dbraw/zinc/29/67/64/1122296764.db2.gz REHUQJJFGGIADR-LLVKDONJSA-N 0 1 291.288 3.593 20 0 CHADMN Cc1cc(Cl)c(CCN2CCCC2)c(Cl)c1 ZINC001250165924 1122299068 /nfs/dbraw/zinc/29/90/68/1122299068.db2.gz DRKFBHOBLABKCR-UHFFFAOYSA-N 0 1 258.192 3.940 20 0 CHADMN CCc1ccc(CNc2ccncc2C(F)(F)F)s1 ZINC001184831396 1122299469 /nfs/dbraw/zinc/29/94/69/1122299469.db2.gz VOSYUDHARNMIOP-UHFFFAOYSA-N 0 1 286.322 3.758 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1ccc(C)nc1Cl ZINC000688566313 1129045640 /nfs/dbraw/zinc/04/56/40/1129045640.db2.gz MNDXADSIAZRAOR-LBPRGKRZSA-N 0 1 272.845 3.617 20 0 CHADMN Cc1cc(Br)cc(CN(C)Cc2ccoc2)c1 ZINC000774852905 1122332150 /nfs/dbraw/zinc/33/21/50/1122332150.db2.gz KUOLRGNZMNLGGE-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H]2CCCC[C@@H]2C)c1 ZINC000424841814 1122348787 /nfs/dbraw/zinc/34/87/87/1122348787.db2.gz ZZWAWKXSMHWMHI-WCQYABFASA-N 0 1 289.375 3.750 20 0 CHADMN CCc1nc(CN([C@H](C)C(C)C)C2CC2)cs1 ZINC000505231948 1122349014 /nfs/dbraw/zinc/34/90/14/1122349014.db2.gz UTXXWKAAWABSPT-LLVKDONJSA-N 0 1 252.427 3.714 20 0 CHADMN CN(Cc1cccc(O)c1)Cc1ccc(F)c(Cl)c1 ZINC000505248235 1122351721 /nfs/dbraw/zinc/35/17/21/1122351721.db2.gz ADTQZGIEOIRLPH-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN CC[C@H]1CCCCN1Cc1nc2ccc(Cl)cc2n1C ZINC000505307414 1122356108 /nfs/dbraw/zinc/35/61/08/1122356108.db2.gz FFZSFQNSNOKFOG-ZDUSSCGKSA-N 0 1 291.826 3.991 20 0 CHADMN CCOc1cccc(CN2CCC[C@H](C)C2)c1OC(F)F ZINC000505346122 1122358272 /nfs/dbraw/zinc/35/82/72/1122358272.db2.gz VQDFTVLCOCWPIS-LBPRGKRZSA-N 0 1 299.361 3.919 20 0 CHADMN CC(C)n1ncnc1CN1CCC[C@@H]1CC1CCCCC1 ZINC000434539343 1122376489 /nfs/dbraw/zinc/37/64/89/1122376489.db2.gz FXHKZKLMBBXFDE-MRXNPFEDSA-N 0 1 290.455 3.794 20 0 CHADMN CC(C)C[C@H]1CCCCC[N@H+]1Cc1ncnn1C(C)C ZINC000434544600 1122378614 /nfs/dbraw/zinc/37/86/14/1122378614.db2.gz YWZRVQPNJNTFIO-OAHLLOKOSA-N 0 1 278.444 3.650 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1c(Cl)cccc1OC ZINC000514134025 1122380082 /nfs/dbraw/zinc/38/00/82/1122380082.db2.gz GWUUBCGPPWLPTR-NSHDSACASA-N 0 1 287.856 3.922 20 0 CHADMN CSc1ccc(CN2CCc3ccccc3C2)cc1 ZINC000058873872 1122381479 /nfs/dbraw/zinc/38/14/79/1122381479.db2.gz BMQZKTKYJUNIGS-UHFFFAOYSA-N 0 1 269.413 3.967 20 0 CHADMN COc1ccc2c(c1)CCN(c1ccnc(C)c1Cl)C2 ZINC000664429695 1122383667 /nfs/dbraw/zinc/38/36/67/1122383667.db2.gz KEYWSHRJWZZWPZ-UHFFFAOYSA-N 0 1 288.778 3.615 20 0 CHADMN Cc1ccc(SCCN2CCO[C@@H]3CCC[C@H]32)cc1C ZINC000514209770 1122386994 /nfs/dbraw/zinc/38/69/94/1122386994.db2.gz XRHMSHXTFAALRA-IAGOWNOFSA-N 0 1 291.460 3.649 20 0 CHADMN CCCCCC[C@@](C)(CC)C(=O)NCc1cn[nH]c1C ZINC000079754051 1129051216 /nfs/dbraw/zinc/05/12/16/1129051216.db2.gz GVZCLQWZAOZBRW-MRXNPFEDSA-N 0 1 279.428 3.721 20 0 CHADMN CC1(C)CCN(Cc2ccn(C3CCCC3)n2)CCS1 ZINC000434669934 1122392821 /nfs/dbraw/zinc/39/28/21/1122392821.db2.gz NLVACJUSKMPOER-UHFFFAOYSA-N 0 1 293.480 3.716 20 0 CHADMN CN(CCCCCO)Cc1nc(C2CCCCC2)cs1 ZINC000434681652 1122394512 /nfs/dbraw/zinc/39/45/12/1122394512.db2.gz QQYWMNCMUJGGOW-UHFFFAOYSA-N 0 1 296.480 3.785 20 0 CHADMN Cc1ccc2sc(NCc3n[nH]c(C4CC4)n3)nc2c1C ZINC001186565305 1122396954 /nfs/dbraw/zinc/39/69/54/1122396954.db2.gz OFZRXCRFMPQRKJ-UHFFFAOYSA-N 0 1 299.403 3.521 20 0 CHADMN Cc1ccc([C@]2(C)CCN(Cc3ccn(C(C)C)n3)C2)cc1 ZINC000434735131 1122401421 /nfs/dbraw/zinc/40/14/21/1122401421.db2.gz HRCKEYORPHSHFU-LJQANCHMSA-N 0 1 297.446 3.936 20 0 CHADMN Cc1cc([C@H]2CCCN2CCCSCC(C)C)no1 ZINC000366602688 1122408410 /nfs/dbraw/zinc/40/84/10/1122408410.db2.gz HUXYDIVDQDMUGV-OAHLLOKOSA-N 0 1 282.453 3.899 20 0 CHADMN Cc1ccc([C@]2(C)CCN(Cc3cscn3)C2)cc1 ZINC000434741628 1122408805 /nfs/dbraw/zinc/40/88/05/1122408805.db2.gz HEFHXVVWWMCFTG-MRXNPFEDSA-N 0 1 272.417 3.615 20 0 CHADMN CC[C@@H](NCc1ccnc(Cl)c1)c1ccccc1OC ZINC000775080120 1122419202 /nfs/dbraw/zinc/41/92/02/1122419202.db2.gz ITELNBIJSQFFFP-CQSZACIVSA-N 0 1 290.794 3.985 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(COC)o2)cc1 ZINC000505589346 1122430101 /nfs/dbraw/zinc/43/01/01/1122430101.db2.gz AHAVAVIAJNZBIV-UHFFFAOYSA-N 0 1 273.376 3.620 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(C)cn2)cc1 ZINC000505614651 1122438482 /nfs/dbraw/zinc/43/84/82/1122438482.db2.gz XIARQBINDCVTIU-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN Clc1sccc1CN1CCOC[C@@H](C2CCC2)C1 ZINC000430137105 1122440874 /nfs/dbraw/zinc/44/08/74/1122440874.db2.gz VMZXYYXMVRYNHU-ZDUSSCGKSA-N 0 1 285.840 3.650 20 0 CHADMN Cc1nnsc1CSc1nc2ccc(Cl)cc2[nH]1 ZINC000514706210 1122442740 /nfs/dbraw/zinc/44/27/40/1122442740.db2.gz KUTCCSKXMAJYNG-UHFFFAOYSA-N 0 1 296.808 3.669 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1Cc1c(C)oc2ccccc21 ZINC000505643284 1122448370 /nfs/dbraw/zinc/44/83/70/1122448370.db2.gz YYBDFIGWTFPYCN-TZMCWYRMSA-N 0 1 273.376 3.741 20 0 CHADMN CC(C)n1cncc1CN1C[C@H](C)[C@H]1c1ccccc1 ZINC000425339254 1122457188 /nfs/dbraw/zinc/45/71/88/1122457188.db2.gz RKJFJKAINBHYBE-YOEHRIQHSA-N 0 1 269.392 3.657 20 0 CHADMN Cc1ccc(CN2CCn3cccc3[C@H]2C)c(C)c1 ZINC000505694122 1122465642 /nfs/dbraw/zinc/46/56/42/1122465642.db2.gz KPNACVLEINAQBT-OAHLLOKOSA-N 0 1 254.377 3.682 20 0 CHADMN CCOc1ccc(CN(C)Cc2cc(F)cc(F)c2)cc1 ZINC000505695899 1122466596 /nfs/dbraw/zinc/46/65/96/1122466596.db2.gz XMRNIYDXMWRQRN-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN CSc1ccc2nc(-c3cccc(O)c3)[nH]c2c1 ZINC000435683681 1122481539 /nfs/dbraw/zinc/48/15/39/1122481539.db2.gz QEJLTIBZSKZYRB-UHFFFAOYSA-N 0 1 256.330 3.657 20 0 CHADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCCCCC(=O)[O-] ZINC000515491062 1122504609 /nfs/dbraw/zinc/50/46/09/1122504609.db2.gz VIJLXQKUEKOKSB-UKRRQHHQSA-N 0 1 293.382 3.649 20 0 CHADMN CC(C)=CCOC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000775279716 1122506482 /nfs/dbraw/zinc/50/64/82/1122506482.db2.gz FEEHKIWVHNOTPF-UHFFFAOYSA-N 0 1 270.332 3.508 20 0 CHADMN CSCc1ccc(CNCc2ccc(C)o2)cc1 ZINC000285431628 1122510744 /nfs/dbraw/zinc/51/07/44/1122510744.db2.gz HLPPDWLCNVFQTI-UHFFFAOYSA-N 0 1 261.390 3.741 20 0 CHADMN COc1c(C)cccc1CN1CCOC2(CCCCC2)C1 ZINC001237503698 1129059480 /nfs/dbraw/zinc/05/94/80/1129059480.db2.gz FWNUIIOPWKYVKG-UHFFFAOYSA-N 0 1 289.419 3.539 20 0 CHADMN CCC[C@@H](NCc1nc(C(F)F)no1)C1CCCCC1 ZINC000425465099 1122513925 /nfs/dbraw/zinc/51/39/25/1122513925.db2.gz ZCJMSDAWINPZGM-LLVKDONJSA-N 0 1 287.354 3.846 20 0 CHADMN CC(C)COc1cccc(CN2CC3(CCC3(F)F)C2)c1 ZINC000515720962 1122528873 /nfs/dbraw/zinc/52/88/73/1122528873.db2.gz VFJIUPXNHKSBFB-UHFFFAOYSA-N 0 1 295.373 3.953 20 0 CHADMN Cc1csc(N2CCN(CCCC3CCCC3)CC2)n1 ZINC001190340011 1122533538 /nfs/dbraw/zinc/53/35/38/1122533538.db2.gz NNLAAECKCAULHV-UHFFFAOYSA-N 0 1 293.480 3.544 20 0 CHADMN C[C@@H]1CCN(Cc2nc3ccc(F)cc3o2)[C@H](C)C1 ZINC000425511661 1122534007 /nfs/dbraw/zinc/53/40/07/1122534007.db2.gz DKAJQWQWQIGTBM-GHMZBOCLSA-N 0 1 262.328 3.587 20 0 CHADMN OCC[C@H](NCc1ccc(Cl)c(F)c1)c1cccs1 ZINC000077459929 1122538620 /nfs/dbraw/zinc/53/86/20/1122538620.db2.gz HJPSLDZBUXQTAW-ZDUSSCGKSA-N 0 1 299.798 3.754 20 0 CHADMN C[C@@H]1CN(CCCOc2cccc3ccccc32)[C@@H](C)CO1 ZINC000515780664 1122538817 /nfs/dbraw/zinc/53/88/17/1122538817.db2.gz WYRCSUCWSQWGLC-JKSUJKDBSA-N 0 1 299.414 3.718 20 0 CHADMN CO[C@H]1CC[C@@H](N(C)Cc2c(Cl)cccc2Cl)C1 ZINC001190560948 1122543333 /nfs/dbraw/zinc/54/33/33/1122543333.db2.gz MXHFIMWGEPJWRP-MNOVXSKESA-N 0 1 288.218 3.993 20 0 CHADMN Cc1ccccc1[C@@H]1CC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000515856147 1122545893 /nfs/dbraw/zinc/54/58/93/1122545893.db2.gz PCJUHJLHDZEYPT-MRXNPFEDSA-N 0 1 295.382 3.683 20 0 CHADMN CCN(CCC1CCC1)Cc1c(F)cccc1F ZINC001190731894 1122554201 /nfs/dbraw/zinc/55/42/01/1122554201.db2.gz ULTCBAQSDWJUJJ-UHFFFAOYSA-N 0 1 253.336 3.977 20 0 CHADMN COc1ccc2c(c1)CCCN(Cc1cc(C)cc(C)n1)C2 ZINC001190839576 1122557444 /nfs/dbraw/zinc/55/74/44/1122557444.db2.gz VIWWFKZSNAKBMD-UHFFFAOYSA-N 0 1 296.414 3.655 20 0 CHADMN CC(C)C1CCN(Cc2cc(F)ccc2F)CC1 ZINC001191012882 1122564434 /nfs/dbraw/zinc/56/44/34/1122564434.db2.gz BSHPAKYFWQZERB-UHFFFAOYSA-N 0 1 253.336 3.833 20 0 CHADMN O=C(Nc1cc(C2CC2)ccn1)c1cc(Cl)ccc1O ZINC000436618979 1122567095 /nfs/dbraw/zinc/56/70/95/1122567095.db2.gz PQVMCPZIRHHIEA-UHFFFAOYSA-N 0 1 288.734 3.570 20 0 CHADMN CCC(C)(C)N(C)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000473573165 1122567173 /nfs/dbraw/zinc/56/71/73/1122567173.db2.gz AHMSSBLLBPTYKA-UHFFFAOYSA-N 0 1 299.418 3.954 20 0 CHADMN C=Cc1ccc(C(=O)Nc2cc(C(=O)CC)ccc2O)cc1 ZINC000436649060 1122569573 /nfs/dbraw/zinc/56/95/73/1122569573.db2.gz VGFKOHKPNFGCHL-UHFFFAOYSA-N 0 1 295.338 3.880 20 0 CHADMN C[C@H]1C[C@H]1CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000516119035 1122570796 /nfs/dbraw/zinc/57/07/96/1122570796.db2.gz AKEIEBOEGNKZDP-QWRGUYRKSA-N 0 1 295.342 3.808 20 0 CHADMN CCN(Cc1cnc2c(C)cccn12)Cc1ccccc1 ZINC000505864880 1122572825 /nfs/dbraw/zinc/57/28/25/1122572825.db2.gz SBHBEOYSGGMDCH-UHFFFAOYSA-N 0 1 279.387 3.665 20 0 CHADMN O=C(Nc1ccc2[nH]ccc2c1)c1ccc(Cl)cc1O ZINC000436723143 1122576177 /nfs/dbraw/zinc/57/61/77/1122576177.db2.gz SFYUZHRXIIVMRJ-UHFFFAOYSA-N 0 1 286.718 3.779 20 0 CHADMN C=C/C=C\CCN1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC001191085904 1122576228 /nfs/dbraw/zinc/57/62/28/1122576228.db2.gz VSQXUVPLSJMDGX-BGYNLAARSA-N 0 1 271.404 3.889 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2ccn(CCc3ccccc3)n2)C1 ZINC001191194487 1122580409 /nfs/dbraw/zinc/58/04/09/1122580409.db2.gz SQXAXQOVHDRVAN-IRXDYDNUSA-N 0 1 297.446 3.746 20 0 CHADMN CCOC(=O)/C=C/CN1CCCCC[C@H]1c1ccc(C)o1 ZINC001191176730 1122583018 /nfs/dbraw/zinc/58/30/18/1122583018.db2.gz ZHMYDGPMANCJGO-HEWZJLJBSA-N 0 1 291.391 3.624 20 0 CHADMN COc1ccc(OC)c(CN2Cc3ccccc3[C@@H](C)C2)c1 ZINC000763622870 1129064922 /nfs/dbraw/zinc/06/49/22/1129064922.db2.gz HHPSVNXGXSEDAT-AWEZNQCLSA-N 0 1 297.398 3.823 20 0 CHADMN Cc1ccc([C@@H]2CCCN2C(=O)c2c(O)cccc2F)cc1 ZINC000436943965 1122597541 /nfs/dbraw/zinc/59/75/41/1122597541.db2.gz NZCWUTUOFIGNNF-HNNXBMFYSA-N 0 1 299.345 3.817 20 0 CHADMN Cc1ccc(NC(=O)c2c(O)cccc2F)c2cccnc12 ZINC000436953018 1122598734 /nfs/dbraw/zinc/59/87/34/1122598734.db2.gz ZIDUFFNOKPRWKD-UHFFFAOYSA-N 0 1 296.301 3.640 20 0 CHADMN CN(CCCOc1ccccc1)Cc1cc(Cl)cn1C ZINC000466952922 1122600143 /nfs/dbraw/zinc/60/01/43/1122600143.db2.gz CWZBFRNTPPGGIG-UHFFFAOYSA-N 0 1 292.810 3.579 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(F)cc(F)c2OC)C1 ZINC001143562092 1122601524 /nfs/dbraw/zinc/60/15/24/1122601524.db2.gz AMOFWOMMNSGWAW-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN Cc1ccc(CN2CCc3ncc(C)cc3C2)c(C)c1 ZINC001203739522 1122603034 /nfs/dbraw/zinc/60/30/34/1122603034.db2.gz MPXXZFYEDCJEQL-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN COc1cc(F)c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1OC ZINC000516479322 1122603285 /nfs/dbraw/zinc/60/32/85/1122603285.db2.gz VHBJFAHOMMWXRZ-SWLSCSKDSA-N 0 1 293.382 3.607 20 0 CHADMN CC(C)[C@@H]1c2ccccc2CCN1Cc1ccnc(F)c1 ZINC001191540549 1122604224 /nfs/dbraw/zinc/60/42/24/1122604224.db2.gz KKLGYLPXEBQCNR-GOSISDBHSA-N 0 1 284.378 3.976 20 0 CHADMN Cc1cc(CN2CCOC3(C2)CCCCCC3)cs1 ZINC001191551143 1122605570 /nfs/dbraw/zinc/60/55/70/1122605570.db2.gz OICRDHKVTVFYLV-UHFFFAOYSA-N 0 1 279.449 3.982 20 0 CHADMN CCCC[C@H](C(=O)OC)N1CCC(CCC(C)C)CC1 ZINC001191611194 1122607622 /nfs/dbraw/zinc/60/76/22/1122607622.db2.gz YHLBCCUSUCAUSE-MRXNPFEDSA-N 0 1 283.456 3.866 20 0 CHADMN CCOC(=O)C1(NC[C@H]2CCCC[C@@H]2C)CCCCC1 ZINC001191753115 1122613238 /nfs/dbraw/zinc/61/32/38/1122613238.db2.gz DVHKSJCNYCXPFC-LSDHHAIUSA-N 0 1 281.440 3.668 20 0 CHADMN COc1cc(CN2CCC=C(C)C2)c(SC)cc1OC ZINC000437339362 1122628378 /nfs/dbraw/zinc/62/83/78/1122628378.db2.gz AKNUDUBCADCDJS-UHFFFAOYSA-N 0 1 293.432 3.578 20 0 CHADMN CCCN1Cc2cccc(NC(=O)C3=C(C)CCC3)c2C1 ZINC000437359648 1122630411 /nfs/dbraw/zinc/63/04/11/1122630411.db2.gz ZXNRNRMRIYYYJJ-UHFFFAOYSA-N 0 1 284.403 3.851 20 0 CHADMN O=C(c1cc(-c2ccoc2)[nH]n1)N(C1CC1)C1CCCCC1 ZINC000620601199 1129067716 /nfs/dbraw/zinc/06/77/16/1129067716.db2.gz AFVRTZVDAOILSH-UHFFFAOYSA-N 0 1 299.374 3.607 20 0 CHADMN COc1ccc(-c2nc3cc(C)c(F)cc3[nH]2)cc1 ZINC001250472095 1122647528 /nfs/dbraw/zinc/64/75/28/1122647528.db2.gz VSCMRUSUKODCJB-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN C[C@@H]1CN(CC(=O)c2ccccc2F)[C@H]2CCCC[C@@H]12 ZINC001192481464 1122649825 /nfs/dbraw/zinc/64/98/25/1122649825.db2.gz MYKVAIRNMSLODM-WWGRRREGSA-N 0 1 275.367 3.519 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1CCCOc1ccc(C)c(C)c1 ZINC000506119807 1122652759 /nfs/dbraw/zinc/65/27/59/1122652759.db2.gz ASXSBHVDHBOBEZ-DLBZAZTESA-N 0 1 291.435 3.572 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1CCCOc1ccc(C)c(C)c1 ZINC000506119810 1122653013 /nfs/dbraw/zinc/65/30/13/1122653013.db2.gz ASXSBHVDHBOBEZ-IAGOWNOFSA-N 0 1 291.435 3.572 20 0 CHADMN COCc1nc(C[N@H+]2CCCCC[C@@H]2C(C)C)cs1 ZINC001192652044 1122654058 /nfs/dbraw/zinc/65/40/58/1122654058.db2.gz AIDYYWKQVAIYDL-CQSZACIVSA-N 0 1 282.453 3.690 20 0 CHADMN FC1=CCCN(CCCCCOc2ccccc2)C1 ZINC000437781743 1122654708 /nfs/dbraw/zinc/65/47/08/1122654708.db2.gz FOXPPCRFTKUACP-UHFFFAOYSA-N 0 1 263.356 3.795 20 0 CHADMN CC[C@@](C)(NCC(=O)c1ccccc1F)c1ccccc1 ZINC001192791266 1122660224 /nfs/dbraw/zinc/66/02/24/1122660224.db2.gz IRMYHLBOAWNZMR-GOSISDBHSA-N 0 1 285.362 3.923 20 0 CHADMN O=C(Nc1ccccc1C(F)F)c1ccc(O)c(F)c1F ZINC001192840291 1122660243 /nfs/dbraw/zinc/66/02/43/1122660243.db2.gz PTXIFHITWMZNTC-UHFFFAOYSA-N 0 1 299.223 3.860 20 0 CHADMN COC[C@H](NCc1cc(F)ccc1C)c1ccccc1 ZINC001192901150 1122661306 /nfs/dbraw/zinc/66/13/06/1122661306.db2.gz JCFQBXMWUPVZJV-KRWDZBQOSA-N 0 1 273.351 3.611 20 0 CHADMN CCc1ccc(CN2CCc3cccc(F)c3C2)cc1 ZINC001192956047 1122664787 /nfs/dbraw/zinc/66/47/87/1122664787.db2.gz NMKFNQZOPSFIJO-UHFFFAOYSA-N 0 1 269.363 3.946 20 0 CHADMN CCCc1csc(CN2C[C@H](C)C[C@H](C)C2)n1 ZINC000426035924 1122704659 /nfs/dbraw/zinc/70/46/59/1122704659.db2.gz OFGMKXMHIZANNX-TXEJJXNPSA-N 0 1 252.427 3.574 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc3nc(C)ccc3c2)n1 ZINC000438101521 1122678427 /nfs/dbraw/zinc/67/84/27/1122678427.db2.gz SWMPJSZYVVLETO-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN CCCC[C@@H](N[C@@H](CC(C)C)C(=O)OC)C1CCC1 ZINC001193238142 1122682184 /nfs/dbraw/zinc/68/21/84/1122682184.db2.gz GQLBMOHMVVSRKO-CABCVRRESA-N 0 1 269.429 3.523 20 0 CHADMN CCOC(=O)[C@H](C)N(CCC1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC001193472220 1122691456 /nfs/dbraw/zinc/69/14/56/1122691456.db2.gz FDJCBAOVVMJBHK-KKUMJFAQSA-N 0 1 295.467 3.865 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2ccc(Br)cn2)C1 ZINC000438339801 1122691961 /nfs/dbraw/zinc/69/19/61/1122691961.db2.gz FOVXCSKDBQIAOE-GFCCVEGCSA-N 0 1 297.240 3.712 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2nc(C(C)(C)C)co2)C1 ZINC001193498060 1122694039 /nfs/dbraw/zinc/69/40/39/1122694039.db2.gz VTXNDIXQWKQAOM-ZDUSSCGKSA-N 0 1 264.413 3.840 20 0 CHADMN Cc1cc(CN[C@@H]2C[C@H](C)c3c2cccc3C)on1 ZINC000153606927 1129072416 /nfs/dbraw/zinc/07/24/16/1129072416.db2.gz VELDVEKJDBKPQO-XHDPSFHLSA-N 0 1 256.349 3.630 20 0 CHADMN CCC(CC)n1ccc(CN(C)[C@H](C)C2(C)CC2)n1 ZINC000438538946 1122709066 /nfs/dbraw/zinc/70/90/66/1122709066.db2.gz DGHWDSDXPOICQZ-CYBMUJFWSA-N 0 1 263.429 3.865 20 0 CHADMN COC(=O)[C@@H]1C[C@H](C)CCN1Cc1cccc2ccccc21 ZINC001193686815 1122709655 /nfs/dbraw/zinc/70/96/55/1122709655.db2.gz NISJUFMFHMESSU-KDOFPFPSSA-N 0 1 297.398 3.613 20 0 CHADMN O=C(Nc1ccsc1Cl)c1cccc2nc[nH]c21 ZINC000438560154 1122710124 /nfs/dbraw/zinc/71/01/24/1122710124.db2.gz DLZLEPQUPRMXPA-UHFFFAOYSA-N 0 1 277.736 3.530 20 0 CHADMN Cc1nocc1CN[C@@H](c1ccccc1)C1CCC1 ZINC000293654473 1122715890 /nfs/dbraw/zinc/71/58/90/1122715890.db2.gz SQUGKTAJQYXYIU-INIZCTEOSA-N 0 1 256.349 3.614 20 0 CHADMN CCCCCOC(=O)Nc1cccc(Cl)c1O ZINC001193768820 1122719187 /nfs/dbraw/zinc/71/91/87/1122719187.db2.gz QUQFBZUQHHQEHE-UHFFFAOYSA-N 0 1 257.717 3.784 20 0 CHADMN Cc1cc(F)cc2[nH]c([C@@H]3CCOC(C)(C)C3)nc21 ZINC001250544705 1122723588 /nfs/dbraw/zinc/72/35/88/1122723588.db2.gz JWTZHZZSBADLIV-SNVBAGLBSA-N 0 1 262.328 3.683 20 0 CHADMN Cc1cc([C@H](C)NC[C@@H](C)c2ccc(F)cc2F)no1 ZINC000438829211 1122730753 /nfs/dbraw/zinc/73/07/53/1122730753.db2.gz ZHHSTVVHAXIRCN-KOLCDFICSA-N 0 1 280.318 3.716 20 0 CHADMN CC[C@H]1CCCN(Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000509574534 1122732857 /nfs/dbraw/zinc/73/28/57/1122732857.db2.gz JMLDHOGEVYIRBU-LBPRGKRZSA-N 0 1 297.826 3.979 20 0 CHADMN Cc1cccc2nc(CNCc3ccc([C@@H]4C[C@H]4C)o3)[nH]c21 ZINC000153635487 1129074265 /nfs/dbraw/zinc/07/42/65/1129074265.db2.gz CFEOQKDYHPJMQH-TZMCWYRMSA-N 0 1 295.386 3.878 20 0 CHADMN CCC[C@@H](O)CN(Cc1ccco1)Cc1cccs1 ZINC000295003317 1122740536 /nfs/dbraw/zinc/74/05/36/1122740536.db2.gz AIGCXXVRKDDLSQ-CYBMUJFWSA-N 0 1 279.405 3.504 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1cccc([S-])c1 ZINC001226013222 1122742914 /nfs/dbraw/zinc/74/29/14/1122742914.db2.gz DMLDEVNQSONURR-KSSFIOAISA-N 0 1 299.439 3.875 20 0 CHADMN FC1(F)CCCC[C@H]1C[N@H+]1CCOC2(CCCCC2)C1 ZINC001194058626 1122743710 /nfs/dbraw/zinc/74/37/10/1122743710.db2.gz SQBNSOCFTHBZAD-AWEZNQCLSA-N 0 1 287.394 3.847 20 0 CHADMN Cc1cccc(CCC[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC001194058851 1122744348 /nfs/dbraw/zinc/74/43/48/1122744348.db2.gz XOUHGXZMDISTHO-UHFFFAOYSA-N 0 1 287.447 3.963 20 0 CHADMN CCCOC(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001194122989 1122748477 /nfs/dbraw/zinc/74/84/77/1122748477.db2.gz WSDKJBCZBUNXKU-UHFFFAOYSA-N 0 1 264.108 3.658 20 0 CHADMN CCCCCCOC(=O)Nc1cc(O)c(F)c(F)c1 ZINC001194185740 1122750915 /nfs/dbraw/zinc/75/09/15/1122750915.db2.gz QYCDQURGDLJBHC-UHFFFAOYSA-N 0 1 273.279 3.799 20 0 CHADMN Cc1ccoc1CN[C@@H]1CCCOc2cc(C)ccc21 ZINC000426295488 1122758032 /nfs/dbraw/zinc/75/80/32/1122758032.db2.gz YVIMUPWEMZUNAU-OAHLLOKOSA-N 0 1 271.360 3.900 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3cscc3C)[nH]n2)o1 ZINC000439175037 1122758717 /nfs/dbraw/zinc/75/87/17/1122758717.db2.gz BXPORWRAAXXPBT-UHFFFAOYSA-N 0 1 287.344 3.600 20 0 CHADMN CCCc1nc(C)c(CN[C@H]2CCc3ccccc32)o1 ZINC000426352972 1122772200 /nfs/dbraw/zinc/77/22/00/1122772200.db2.gz SIMWAHKNFRVCFQ-HNNXBMFYSA-N 0 1 270.376 3.713 20 0 CHADMN COc1ccc2c(c1)CN([C@@H](C)c1ccccc1)CCO2 ZINC001194417980 1122774227 /nfs/dbraw/zinc/77/42/27/1122774227.db2.gz MFRXJLVXCJJWCL-AWEZNQCLSA-N 0 1 283.371 3.651 20 0 CHADMN CC(C)c1ccc(NC(=O)Cc2n[nH]c3ccccc23)cc1 ZINC000518638021 1122775778 /nfs/dbraw/zinc/77/57/78/1122775778.db2.gz LUJOLDKIYGWWQY-UHFFFAOYSA-N 0 1 293.370 3.868 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1cnn2ccccc12 ZINC000426377711 1122777449 /nfs/dbraw/zinc/77/74/49/1122777449.db2.gz NXQQGFAUCZKDNU-VBKFSLOCSA-N 0 1 291.398 3.870 20 0 CHADMN Cc1cc(Cl)ccc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC001194519228 1122779222 /nfs/dbraw/zinc/77/92/22/1122779222.db2.gz IHAZOOZQVNSAHE-OAHLLOKOSA-N 0 1 281.852 3.976 20 0 CHADMN COc1ccc(Cl)c(CN(C)CCCSC)c1 ZINC000439472845 1122781789 /nfs/dbraw/zinc/78/17/89/1122781789.db2.gz SUFJAGFLRJVWPN-UHFFFAOYSA-N 0 1 273.829 3.534 20 0 CHADMN CC[C@@H]1CN(CCc2c(F)cccc2Cl)CCCO1 ZINC000439462984 1122783857 /nfs/dbraw/zinc/78/38/57/1122783857.db2.gz ACEHLCGLEVMBCM-GFCCVEGCSA-N 0 1 285.790 3.523 20 0 CHADMN C[C@@H]1C[C@H](CN(C)Cc2c(F)cccc2F)C[C@H](C)O1 ZINC001194571071 1122784096 /nfs/dbraw/zinc/78/40/96/1122784096.db2.gz RMRFNRBXMBMOIN-ITGUQSILSA-N 0 1 283.362 3.600 20 0 CHADMN CC[C@H]1C[N@H+]([C@@H](C)c2ccccc2Cl)CCCO1 ZINC000439480814 1122784593 /nfs/dbraw/zinc/78/45/93/1122784593.db2.gz ZIUPLCFUVOPBPD-STQMWFEESA-N 0 1 267.800 3.902 20 0 CHADMN CCCc1csc(CN2CCCC[C@@H](SC)C2)n1 ZINC000426414127 1122787636 /nfs/dbraw/zinc/78/76/36/1122787636.db2.gz AWMMJAKRSDIBKP-CYBMUJFWSA-N 0 1 284.494 3.813 20 0 CHADMN Cc1ccnc([C@@H](C)NCc2cccc3cc[nH]c32)c1 ZINC000353585887 1122788170 /nfs/dbraw/zinc/78/81/70/1122788170.db2.gz AASMDJACPGHUAT-CYBMUJFWSA-N 0 1 265.360 3.722 20 0 CHADMN CCc1nnc([C@H](C)NCC2(c3ccccc3)CCCC2)o1 ZINC000439556450 1122789656 /nfs/dbraw/zinc/78/96/56/1122789656.db2.gz FPPDHYJTCVSSCK-AWEZNQCLSA-N 0 1 299.418 3.795 20 0 CHADMN CC1(CC(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)CC1 ZINC000429656482 1122791650 /nfs/dbraw/zinc/79/16/50/1122791650.db2.gz CHBLBEJWIRVMGM-UHFFFAOYSA-N 0 1 283.375 3.959 20 0 CHADMN CCCN(CC)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000426450851 1122796109 /nfs/dbraw/zinc/79/61/09/1122796109.db2.gz ZRUWDLHKVFRLOC-UHFFFAOYSA-N 0 1 285.391 3.566 20 0 CHADMN c1sc(Nc2ccccc2)nc1CN1CC[C@H]2CCC[C@H]21 ZINC000426467318 1122799936 /nfs/dbraw/zinc/79/99/36/1122799936.db2.gz ISXZEPQAUZHYBG-CZUORRHYSA-N 0 1 299.443 3.683 20 0 CHADMN CC(C)(C)c1ccccc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000153886199 1129078933 /nfs/dbraw/zinc/07/89/33/1129078933.db2.gz BTUREXGQWPOYQQ-UHFFFAOYSA-N 0 1 294.358 3.508 20 0 CHADMN Cc1cc(F)ccc1CN1CCc2sccc2C1 ZINC000506686463 1122807975 /nfs/dbraw/zinc/80/79/75/1122807975.db2.gz FZHKGLVUCLURQH-UHFFFAOYSA-N 0 1 261.365 3.754 20 0 CHADMN CC(C)CC(C)(C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000439873230 1122810993 /nfs/dbraw/zinc/81/09/93/1122810993.db2.gz OGKRFRMZTMVNHW-CQSZACIVSA-N 0 1 296.480 3.539 20 0 CHADMN Cc1ccc(N(C)C(=O)c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000101527192 1122827371 /nfs/dbraw/zinc/82/73/71/1122827371.db2.gz BXMSRMZSOWIVKD-UHFFFAOYSA-N 0 1 291.354 3.662 20 0 CHADMN CC1(C)CC[C@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000664790831 1122830404 /nfs/dbraw/zinc/83/04/04/1122830404.db2.gz BLAOENLRVCWBCG-JTQLQIEISA-N 0 1 268.320 3.517 20 0 CHADMN CCn1cc(CN(C)[C@@H](C)c2ccc3c(c2)CCC3)cn1 ZINC000519520011 1122847863 /nfs/dbraw/zinc/84/78/63/1122847863.db2.gz DWPNSVJBLXPTFF-AWEZNQCLSA-N 0 1 283.419 3.585 20 0 CHADMN Clc1nccc2cc(CN3CCCSCC3)sc21 ZINC000894424258 1122850766 /nfs/dbraw/zinc/85/07/66/1122850766.db2.gz ZHRVRWZTQBPEQB-UHFFFAOYSA-N 0 1 298.864 3.889 20 0 CHADMN CCCSC[C@@H](C)N[C@H](C)c1c(F)cncc1F ZINC000894434903 1122852464 /nfs/dbraw/zinc/85/24/64/1122852464.db2.gz KOMOAHQEERMFOX-NXEZZACHSA-N 0 1 274.380 3.542 20 0 CHADMN c1csc(-c2ccc3[nH]c(-c4ccon4)nc3c2)c1 ZINC001250621960 1122853121 /nfs/dbraw/zinc/85/31/21/1122853121.db2.gz BRANCAHWLUVMPL-UHFFFAOYSA-N 0 1 267.313 3.946 20 0 CHADMN c1cc([C@H]2CCCN2Cc2nccc3c2CCCC3)ccn1 ZINC000894450408 1122855468 /nfs/dbraw/zinc/85/54/68/1122855468.db2.gz VABIIXOTELXECY-LJQANCHMSA-N 0 1 293.414 3.693 20 0 CHADMN Cc1cccc2c1CC[C@H]2N[C@@H](C)c1cn2ccccc2n1 ZINC000519548234 1122856847 /nfs/dbraw/zinc/85/68/47/1122856847.db2.gz JDJRPZUIOQGDRF-WMLDXEAASA-N 0 1 291.398 3.981 20 0 CHADMN CCOc1c(Cl)cc(NCc2cnc[nH]2)cc1Cl ZINC000894473702 1122860211 /nfs/dbraw/zinc/86/02/11/1122860211.db2.gz ASHNLWJAXBKBKW-UHFFFAOYSA-N 0 1 286.162 3.727 20 0 CHADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1c(Cl)cncc1Cl ZINC001195289124 1122861667 /nfs/dbraw/zinc/86/16/67/1122861667.db2.gz JHAZZBQNROOVBV-KXUCPTDWSA-N 0 1 273.207 3.865 20 0 CHADMN C[C@H](NC[C@@H](O)c1ccc2ccccc2c1)c1nccs1 ZINC000080305387 1129082998 /nfs/dbraw/zinc/08/29/98/1129082998.db2.gz WNFOADYWXNYZFG-BLLLJJGKSA-N 0 1 298.411 3.681 20 0 CHADMN Cc1ccc(OC[C@@H](C)NCc2cccnc2Cl)cc1 ZINC001648955837 1122864205 /nfs/dbraw/zinc/86/42/05/1122864205.db2.gz IADRQBDXECTOIT-CYBMUJFWSA-N 0 1 290.794 3.601 20 0 CHADMN CC1(C)CN(C[C@H]2CCC(F)(F)C2)[C@@H]1c1cccnc1 ZINC000664824691 1122865874 /nfs/dbraw/zinc/86/58/74/1122865874.db2.gz XGWRFUORQDOQHT-GXTWGEPZSA-N 0 1 280.362 3.900 20 0 CHADMN CCCCOc1ccc(CNCc2cnc[nH]2)cc1Cl ZINC000894532476 1122869939 /nfs/dbraw/zinc/86/99/39/1122869939.db2.gz LEBVHVZNFLHWER-UHFFFAOYSA-N 0 1 293.798 3.532 20 0 CHADMN CCN(Cc1nc(C(C)(C)C)co1)[C@H]1CCOC(C)(C)C1 ZINC000894536202 1122871514 /nfs/dbraw/zinc/87/15/14/1122871514.db2.gz UGOCYKYDAOKKQU-ZDUSSCGKSA-N 0 1 294.439 3.752 20 0 CHADMN Fc1cc(F)c(F)c2[nH]c(-c3cnccc3Cl)nc21 ZINC001250648123 1122874986 /nfs/dbraw/zinc/87/49/86/1122874986.db2.gz UQVNFUWYQMBDPO-UHFFFAOYSA-N 0 1 283.640 3.696 20 0 CHADMN CN(CCN1CC(C)(C)[C@@H]1c1ccncc1)c1ccccc1 ZINC000664833091 1122876409 /nfs/dbraw/zinc/87/64/09/1122876409.db2.gz IXKDEDNSUCGUSH-SFHVURJKSA-N 0 1 295.430 3.601 20 0 CHADMN FC(F)(F)Oc1cccc(C2(NC/C=C\Cl)CC2)c1 ZINC001195589706 1122876573 /nfs/dbraw/zinc/87/65/73/1122876573.db2.gz XXXJGBSZCKQTCW-UQCOIBPSSA-N 0 1 291.700 3.916 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)C[C@H](O)C1CCCCC1 ZINC000473738440 1122884071 /nfs/dbraw/zinc/88/40/71/1122884071.db2.gz BFSPXJGWENEGDI-PXAZEXFGSA-N 0 1 297.389 3.899 20 0 CHADMN CC(C)c1nnc(CNC[C@H]2CCCCC2(F)F)s1 ZINC000894668792 1122887915 /nfs/dbraw/zinc/88/79/15/1122887915.db2.gz WYKRRDDLJPMTSH-SNVBAGLBSA-N 0 1 289.395 3.577 20 0 CHADMN CCC[C@@H](NCc1cn(C)nc1C)c1ccc(F)cc1F ZINC000163225609 1129084557 /nfs/dbraw/zinc/08/45/57/1129084557.db2.gz JYLJXJQEWQERIP-MRXNPFEDSA-N 0 1 293.361 3.638 20 0 CHADMN COc1ccc(C[C@H]2CCCC[N@H+]2C/C=C\Cl)cc1 ZINC001195872886 1122894435 /nfs/dbraw/zinc/89/44/35/1122894435.db2.gz GDLNGZDKPSURFA-OZVSCIAHSA-N 0 1 279.811 3.845 20 0 CHADMN Fc1ccccc1C[C@H]1CCCC[N@H+]1C/C=C\Cl ZINC001195874300 1122895134 /nfs/dbraw/zinc/89/51/34/1122895134.db2.gz SIICZYMCFISAKJ-VYLZPFMQSA-N 0 1 267.775 3.975 20 0 CHADMN Fc1ccccc1C[C@H]1CCCCN1C/C=C\Cl ZINC001195874300 1122895136 /nfs/dbraw/zinc/89/51/36/1122895136.db2.gz SIICZYMCFISAKJ-VYLZPFMQSA-N 0 1 267.775 3.975 20 0 CHADMN CC(C)(C)c1[nH]cnc1-c1nc2ccc(Cl)cc2[nH]1 ZINC001250959410 1122901934 /nfs/dbraw/zinc/90/19/34/1122901934.db2.gz PKGSMIOTKNYZDL-UHFFFAOYSA-N 0 1 274.755 3.904 20 0 CHADMN Cc1ccc(CN(C)Cc2cnn(C)c2C2CC2)cc1C ZINC000894786508 1122905621 /nfs/dbraw/zinc/90/56/21/1122905621.db2.gz RCZKVZPHGOYIKY-UHFFFAOYSA-N 0 1 283.419 3.546 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1ccc(SC)o1 ZINC000894782806 1122905904 /nfs/dbraw/zinc/90/59/04/1122905904.db2.gz NEDCTMLDKXVIIP-AWEZNQCLSA-N 0 1 276.405 3.980 20 0 CHADMN Cc1[nH]nc(CN2CC(C)(C)[C@H]2c2cccs2)c1C ZINC000894785603 1122906310 /nfs/dbraw/zinc/90/63/10/1122906310.db2.gz XCYZOXPYJGLJGZ-CQSZACIVSA-N 0 1 275.421 3.671 20 0 CHADMN CC(C)c1ncc(CN(C)CCCOc2ccccc2)cn1 ZINC000440477736 1122908507 /nfs/dbraw/zinc/90/85/07/1122908507.db2.gz JTNURVUVHPBXEX-UHFFFAOYSA-N 0 1 299.418 3.501 20 0 CHADMN CC[C@H]1CO[C@@H](C)C[N@H+]1CCOc1ccc2ccccc2c1 ZINC000506904560 1122911101 /nfs/dbraw/zinc/91/11/01/1122911101.db2.gz VQNICEBZKPUDCA-YJBOKZPZSA-N 0 1 299.414 3.718 20 0 CHADMN CC[C@H]1CO[C@@H](C)CN1CCOc1ccc2ccccc2c1 ZINC000506904560 1122911103 /nfs/dbraw/zinc/91/11/03/1122911103.db2.gz VQNICEBZKPUDCA-YJBOKZPZSA-N 0 1 299.414 3.718 20 0 CHADMN CC[C@@H]1CCCC[C@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000507021371 1122919830 /nfs/dbraw/zinc/91/98/30/1122919830.db2.gz JKVKTVOCMBXTQQ-RKDXNWHRSA-N 0 1 289.301 3.583 20 0 CHADMN Cc1ccc(CCCN2CC3(CCCC3)OC[C@@H]2C)cc1 ZINC001196402461 1122921384 /nfs/dbraw/zinc/92/13/84/1122921384.db2.gz KWLZLCLEUKKQOW-KRWDZBQOSA-N 0 1 287.447 3.961 20 0 CHADMN COc1cc(CN[C@H]2CC(C)(C)c3ccccc32)sn1 ZINC000638761801 1122921630 /nfs/dbraw/zinc/92/16/30/1122921630.db2.gz KTQYNCYUFFKVDA-AWEZNQCLSA-N 0 1 288.416 3.664 20 0 CHADMN Fc1ccc([C@@H](NCCc2ccco2)c2ccccn2)cc1 ZINC000154399087 1129086940 /nfs/dbraw/zinc/08/69/40/1129086940.db2.gz JSVBQJGPDUIPPE-GOSISDBHSA-N 0 1 296.345 3.735 20 0 CHADMN COc1ccc(F)c(CN(C)[C@@H]2CCc3ccccc32)c1 ZINC000507092444 1122923547 /nfs/dbraw/zinc/92/35/47/1122923547.db2.gz BSMCONODFAJWED-GOSISDBHSA-N 0 1 285.362 3.954 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C[N@H+]1Cc3ccccc3[C@@H]1C)O2 ZINC001196499107 1122924634 /nfs/dbraw/zinc/92/46/34/1122924634.db2.gz VRZHTBGLNSAMOL-GUYCJALGSA-N 0 1 295.382 3.576 20 0 CHADMN COc1ccc2c(c1)C[C@@H](CN1Cc3ccccc3[C@@H]1C)O2 ZINC001196499107 1122924641 /nfs/dbraw/zinc/92/46/41/1122924641.db2.gz VRZHTBGLNSAMOL-GUYCJALGSA-N 0 1 295.382 3.576 20 0 CHADMN Cc1nocc1CN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000507117139 1122927416 /nfs/dbraw/zinc/92/74/16/1122927416.db2.gz SYOXMSIAFKLECQ-UHFFFAOYSA-N 0 1 288.778 3.926 20 0 CHADMN CCCn1cc(CN(CC)Cc2cccc(Cl)c2)cn1 ZINC000507121091 1122927680 /nfs/dbraw/zinc/92/76/80/1122927680.db2.gz NALFGVRSSNCOJO-UHFFFAOYSA-N 0 1 291.826 3.969 20 0 CHADMN CCN(Cc1ccc(-c2cc[nH]n2)o1)[C@@H](C)c1cccnc1 ZINC000519591460 1122930743 /nfs/dbraw/zinc/93/07/43/1122930743.db2.gz HFDNYEJASXIZLZ-ZDUSSCGKSA-N 0 1 296.374 3.648 20 0 CHADMN C[C@@H]1CCN(Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000507165123 1122932200 /nfs/dbraw/zinc/93/22/00/1122932200.db2.gz NFUJEYDIQXFDKO-LLVKDONJSA-N 0 1 276.380 3.791 20 0 CHADMN C[C@@H]1CCN(Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000507201106 1122936348 /nfs/dbraw/zinc/93/63/48/1122936348.db2.gz DPCHMYSHYWMQII-LLVKDONJSA-N 0 1 276.767 3.837 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cnc(N(C)C)s2)cc1 ZINC000507212681 1122939337 /nfs/dbraw/zinc/93/93/37/1122939337.db2.gz OQRGKXPJVFISGM-ZDUSSCGKSA-N 0 1 289.448 3.711 20 0 CHADMN C[C@H](c1ccccc1)N(C)CC(=O)NC1CCCCCC1 ZINC000015372007 1122941661 /nfs/dbraw/zinc/94/16/61/1122941661.db2.gz ZWLVGMAPAINFAF-OAHLLOKOSA-N 0 1 288.435 3.518 20 0 CHADMN CCc1nocc1CN(CC)Cc1ccccc1C ZINC000507235858 1122941709 /nfs/dbraw/zinc/94/17/09/1122941709.db2.gz WIZOFSSCEFPPOV-UHFFFAOYSA-N 0 1 258.365 3.568 20 0 CHADMN Cc1sccc1CN1CCOC[C@H]1Cc1ccccc1 ZINC000507267405 1122945535 /nfs/dbraw/zinc/94/55/35/1122945535.db2.gz MCRACJBZURBCRP-QGZVFWFLSA-N 0 1 287.428 3.500 20 0 CHADMN CCc1nocc1CN(CC)[C@H](C)c1cccc(OC)c1 ZINC000507334545 1122947083 /nfs/dbraw/zinc/94/70/83/1122947083.db2.gz QDIVWXLCBGQWLU-CYBMUJFWSA-N 0 1 288.391 3.829 20 0 CHADMN C[C@H](N[C@H](CCc1ccccc1)C(F)F)[C@@H]1CCCOC1 ZINC000507442583 1122954736 /nfs/dbraw/zinc/95/47/36/1122954736.db2.gz ORAHTLBGGAGTBJ-NUEKZKHPSA-N 0 1 297.389 3.658 20 0 CHADMN Fc1c(Cl)cccc1CN1CCCC2(CCOCC2)C1 ZINC000353683937 1122957819 /nfs/dbraw/zinc/95/78/19/1122957819.db2.gz GPZXSNHMUUNWPO-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN C[C@H](NCc1ccc2c(c1)ncn2C)c1ccccc1F ZINC000775792138 1122971492 /nfs/dbraw/zinc/97/14/92/1122971492.db2.gz UHNYWKCWQIYFBF-LBPRGKRZSA-N 0 1 283.350 3.563 20 0 CHADMN CC(C)O[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC001203886696 1122972497 /nfs/dbraw/zinc/97/24/97/1122972497.db2.gz ILQJKMUSGNFWOG-AWEZNQCLSA-N 0 1 287.325 3.705 20 0 CHADMN CC[C@H]1CCCC[C@H]1NCc1noc(-c2ccsc2)n1 ZINC000163232806 1129090603 /nfs/dbraw/zinc/09/06/03/1129090603.db2.gz VBPSGJTUGLOCKP-WCQYABFASA-N 0 1 291.420 3.857 20 0 CHADMN CCO[C@H]1CCN([C@@H](C)c2ccc(Br)cc2)C1 ZINC001198354613 1122989356 /nfs/dbraw/zinc/98/93/56/1122989356.db2.gz MFUUARXWEQTWOZ-FZMZJTMJSA-N 0 1 298.224 3.621 20 0 CHADMN Cc1cccc2c1CC[N@H+]([C@@H](C)c1cccnc1)C2 ZINC000729476989 1122992141 /nfs/dbraw/zinc/99/21/41/1122992141.db2.gz IIBDQQOFDJXILM-AWEZNQCLSA-N 0 1 252.361 3.509 20 0 CHADMN Cc1cccc2c1CCN([C@@H](C)c1cccnc1)C2 ZINC000729476989 1122992142 /nfs/dbraw/zinc/99/21/42/1122992142.db2.gz IIBDQQOFDJXILM-AWEZNQCLSA-N 0 1 252.361 3.509 20 0 CHADMN C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CC[C@@H](C)C1 ZINC000334408803 1123007726 /nfs/dbraw/zinc/00/77/26/1123007726.db2.gz IIDLTRQLRMDVLD-MNOVXSKESA-N 0 1 291.782 3.793 20 0 CHADMN CC[C@@H](F)CN1CCC[C@H](OCc2ccccc2F)C1 ZINC000440519019 1123009927 /nfs/dbraw/zinc/00/99/27/1123009927.db2.gz YQLSDDVSEXZQTL-CABCVRRESA-N 0 1 283.362 3.555 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@H]3C)n[nH]2)cc1C ZINC000440534199 1123013090 /nfs/dbraw/zinc/01/30/90/1123013090.db2.gz SSZDSUKDQBNHTE-SMDDNHRTSA-N 0 1 297.402 3.564 20 0 CHADMN C[N@@H+](Cc1ccncc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000183746291 1129093354 /nfs/dbraw/zinc/09/33/54/1129093354.db2.gz RXZSNVFXDUAHBF-UHFFFAOYSA-N 0 1 297.185 3.726 20 0 CHADMN CC[C@H](F)CSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000440576586 1123015342 /nfs/dbraw/zinc/01/53/42/1123015342.db2.gz QYOBGQXXZXISRA-FGEFZZPRSA-N 0 1 281.356 3.717 20 0 CHADMN Cc1ccc(CNCc2cnn(-c3ccccc3C)c2)cc1 ZINC001198919225 1123016014 /nfs/dbraw/zinc/01/60/14/1123016014.db2.gz UIHPWCJXMBPJJL-UHFFFAOYSA-N 0 1 291.398 3.779 20 0 CHADMN CCCCOC(=O)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001203922533 1123017908 /nfs/dbraw/zinc/01/79/08/1123017908.db2.gz VXBMZCYMGWKKFF-CQSZACIVSA-N 0 1 295.810 3.505 20 0 CHADMN c1ccc(C2CC(Nc3cc4c(cn3)CCC4)C2)cc1 ZINC000519731035 1123020221 /nfs/dbraw/zinc/02/02/21/1123020221.db2.gz VXQXEEVFVSWJAB-UHFFFAOYSA-N 0 1 264.372 3.928 20 0 CHADMN Cc1nn(C)c(C)c1CN(Cc1ccco1)C1CCCC1 ZINC000154914150 1129093938 /nfs/dbraw/zinc/09/39/38/1129093938.db2.gz VZWHHXFKXDNETQ-UHFFFAOYSA-N 0 1 287.407 3.575 20 0 CHADMN CC[C@H](F)CN1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000440703876 1123030944 /nfs/dbraw/zinc/03/09/44/1123030944.db2.gz JTIBSNHMHGXUIY-SWLSCSKDSA-N 0 1 281.371 3.589 20 0 CHADMN CC[C@H](F)CN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000440701696 1123032020 /nfs/dbraw/zinc/03/20/20/1123032020.db2.gz LSKAMCNASXWIOG-INIZCTEOSA-N 0 1 298.833 3.596 20 0 CHADMN Clc1ccc2sc(CNCc3ccoc3)cc2n1 ZINC001199629215 1123034267 /nfs/dbraw/zinc/03/42/67/1123034267.db2.gz CKOFBYZVBZIMOQ-UHFFFAOYSA-N 0 1 278.764 3.833 20 0 CHADMN Cc1ccccc1OCCNCc1ncc(C(C)C)s1 ZINC001199629220 1123034400 /nfs/dbraw/zinc/03/44/00/1123034400.db2.gz CMLGDNIJGAXWNO-UHFFFAOYSA-N 0 1 290.432 3.744 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](C)CCO[C@H]1CCCC[C@H]1C ZINC000519903608 1123038185 /nfs/dbraw/zinc/03/81/85/1123038185.db2.gz OUOYWZKRVIKFST-ILXRZTDVSA-N 0 1 265.397 3.868 20 0 CHADMN C[C@@H](c1ccco1)N(C)CCO[C@H]1CCCC[C@H]1C ZINC000519903608 1123038190 /nfs/dbraw/zinc/03/81/90/1123038190.db2.gz OUOYWZKRVIKFST-ILXRZTDVSA-N 0 1 265.397 3.868 20 0 CHADMN CC[C@@H](F)CN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000440781784 1123038973 /nfs/dbraw/zinc/03/89/73/1123038973.db2.gz IVYISBHKZGXQNY-VXGBXAGGSA-N 0 1 294.345 3.894 20 0 CHADMN CC(C)C[C@@H]1CCCCN1C(=O)c1c(O)cccc1F ZINC000188068852 1123042287 /nfs/dbraw/zinc/04/22/87/1123042287.db2.gz SJYKMAMUDNFUIX-LBPRGKRZSA-N 0 1 279.355 3.572 20 0 CHADMN Cc1cccc([C@H](C)NCc2cc(C(F)(F)F)n[nH]2)c1C ZINC000440812406 1123042696 /nfs/dbraw/zinc/04/26/96/1123042696.db2.gz UKCSBPYPFJFYFV-NSHDSACASA-N 0 1 297.324 3.896 20 0 CHADMN CC(C)(C(=O)Nc1nc(C2CCC2)n[nH]1)C1CCCCC1 ZINC000760029475 1123047500 /nfs/dbraw/zinc/04/75/00/1123047500.db2.gz FRAKKXUGEXWRBO-UHFFFAOYSA-N 0 1 290.411 3.617 20 0 CHADMN CC(C)(C(=O)Nc1n[nH]c(C2CCC2)n1)C1CCCCC1 ZINC000760029475 1123047504 /nfs/dbraw/zinc/04/75/04/1123047504.db2.gz FRAKKXUGEXWRBO-UHFFFAOYSA-N 0 1 290.411 3.617 20 0 CHADMN CC(C)Cn1ccnc1CN[C@H]1c2ccccc2C[C@@H]1C ZINC000164789301 1123052614 /nfs/dbraw/zinc/05/26/14/1123052614.db2.gz BNMJSRMKTPLRMZ-KBXCAEBGSA-N 0 1 283.419 3.562 20 0 CHADMN CC(C)c1noc(CN2C[C@@H](c3ccccc3)C(C)(C)C2)n1 ZINC000441081379 1123055232 /nfs/dbraw/zinc/05/52/32/1123055232.db2.gz VEECZJYFQQWCME-HNNXBMFYSA-N 0 1 299.418 3.819 20 0 CHADMN Cc1nc(SCc2cnoc2C)[nH]c1-c1ccccc1 ZINC000188256934 1123055771 /nfs/dbraw/zinc/05/57/71/1123055771.db2.gz DJURTOHLFOPGKM-UHFFFAOYSA-N 0 1 285.372 3.974 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1CCC[C@H](C)CC1 ZINC000520135249 1123056265 /nfs/dbraw/zinc/05/62/65/1123056265.db2.gz ZFWBASYQPSUOQW-LBPRGKRZSA-N 0 1 294.826 3.709 20 0 CHADMN CCC(CC)n1ccc(CN2CCCC[C@H](SC)C2)n1 ZINC000441123714 1123060171 /nfs/dbraw/zinc/06/01/71/1123060171.db2.gz KGQQCHVHLHUNIM-INIZCTEOSA-N 0 1 295.496 3.962 20 0 CHADMN CCCCC[C@H](CC)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000760030379 1123061465 /nfs/dbraw/zinc/06/14/65/1123061465.db2.gz JZGYNDLONAXIRG-NSHDSACASA-N 0 1 278.400 3.617 20 0 CHADMN CCCCC[C@H](CC)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000760030379 1123061467 /nfs/dbraw/zinc/06/14/67/1123061467.db2.gz JZGYNDLONAXIRG-NSHDSACASA-N 0 1 278.400 3.617 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000441262613 1123073523 /nfs/dbraw/zinc/07/35/23/1123073523.db2.gz CSVZNECLGBPJLT-AWEZNQCLSA-N 0 1 287.382 3.633 20 0 CHADMN C[C@H]1CCCN(Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000441262613 1123073527 /nfs/dbraw/zinc/07/35/27/1123073527.db2.gz CSVZNECLGBPJLT-AWEZNQCLSA-N 0 1 287.382 3.633 20 0 CHADMN C[C@@H](NC(=O)CN(C)C1CCC1)c1ccc2ccccc2c1 ZINC000441343710 1123080468 /nfs/dbraw/zinc/08/04/68/1123080468.db2.gz WVCWPGSNYBVTEU-CQSZACIVSA-N 0 1 296.414 3.501 20 0 CHADMN CC[C@@H](C)CN(C)C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000520368642 1123080670 /nfs/dbraw/zinc/08/06/70/1123080670.db2.gz DJTBNYLYERSMOF-WBVHZDCISA-N 0 1 290.451 3.574 20 0 CHADMN Cc1nc(Cl)nc(Cl)c1N=C1CCSCC1 ZINC001201332212 1123085610 /nfs/dbraw/zinc/08/56/10/1123085610.db2.gz MBZQXIGSKXVYLS-UHFFFAOYSA-N 0 1 276.192 3.525 20 0 CHADMN c1ccc(Oc2cnccc2NC2=CCSCC2)cc1 ZINC001201326516 1123086864 /nfs/dbraw/zinc/08/68/64/1123086864.db2.gz KKOCNZCVOITATQ-UHFFFAOYSA-N 0 1 284.384 3.729 20 0 CHADMN Cc1ccc(NC(=O)c2c(O)cccc2Cl)cc1F ZINC000049084956 1123089197 /nfs/dbraw/zinc/08/91/97/1123089197.db2.gz ZGNUWHOWTJAYNK-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN Cc1coc(CN[C@@H](c2cccs2)C2(CO)CCC2)c1 ZINC000894948856 1123092512 /nfs/dbraw/zinc/09/25/12/1123092512.db2.gz KFUGQFGGFXTMNI-HNNXBMFYSA-N 0 1 291.416 3.643 20 0 CHADMN FC(F)(F)c1ccc2c(c1)nccc2N1CCCC1 ZINC000122826082 1123092993 /nfs/dbraw/zinc/09/29/93/1123092993.db2.gz XCZHPPDNWOEFAK-UHFFFAOYSA-N 0 1 266.266 3.854 20 0 CHADMN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000112670916 1123093633 /nfs/dbraw/zinc/09/36/33/1123093633.db2.gz XEGLRBSMPRVMKY-JSGCOSHPSA-N 0 1 285.391 3.508 20 0 CHADMN CCCCO[C@@H]1C[C@H](N[C@@H](COC)c2ccco2)C1(C)C ZINC000776164268 1123097585 /nfs/dbraw/zinc/09/75/85/1123097585.db2.gz YRAGPGUYNYHAMU-CWRNSKLLSA-N 0 1 295.423 3.541 20 0 CHADMN c1coc(CN(Cc2ccccc2)C[C@H]2CCC=CO2)c1 ZINC000193620313 1129099370 /nfs/dbraw/zinc/09/93/70/1129099370.db2.gz MEEZINBEWLZBFX-QGZVFWFLSA-N 0 1 283.371 3.975 20 0 CHADMN COC[C@@H](NCc1ccc2scnc2c1)c1ccccc1 ZINC001201504808 1123113237 /nfs/dbraw/zinc/11/32/37/1123113237.db2.gz UWBMTGBDIORLIW-MRXNPFEDSA-N 0 1 298.411 3.774 20 0 CHADMN CCC[C@@H](C)CN(Cc1cccnc1)Cc1ccccn1 ZINC001201551309 1123118668 /nfs/dbraw/zinc/11/86/68/1123118668.db2.gz TYRBTYTVFUMRMY-MRXNPFEDSA-N 0 1 283.419 3.915 20 0 CHADMN CCC(CC)C[N@@H+](Cc1cccnc1)Cc1ccccn1 ZINC001201531292 1123122408 /nfs/dbraw/zinc/12/24/08/1123122408.db2.gz LBRAZTFXJVVPCO-UHFFFAOYSA-N 0 1 283.419 3.915 20 0 CHADMN CCC(CC)CN(Cc1cccnc1)Cc1ccccn1 ZINC001201531292 1123122410 /nfs/dbraw/zinc/12/24/10/1123122410.db2.gz LBRAZTFXJVVPCO-UHFFFAOYSA-N 0 1 283.419 3.915 20 0 CHADMN CCC(CC)C[N@H+]1C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C ZINC001201534122 1123122757 /nfs/dbraw/zinc/12/27/57/1123122757.db2.gz AFZTZLJVSZZLNN-GJZGRUSLSA-N 0 1 296.455 3.506 20 0 CHADMN CC(C)c1csc([C@H](C#N)C(=O)CCC2CC2)n1 ZINC000080456051 1129100174 /nfs/dbraw/zinc/10/01/74/1129100174.db2.gz RRTFIHAKWNOLQR-LLVKDONJSA-N 0 1 262.378 3.633 20 0 CHADMN C[C@H]1CCCN(Cc2ccn(-c3ccc(F)cc3)n2)[C@H]1C ZINC000441448986 1123128745 /nfs/dbraw/zinc/12/87/45/1123128745.db2.gz PZXYBXVXANWOAF-KBPBESRZSA-N 0 1 287.382 3.632 20 0 CHADMN Cc1nc2c(s1)[C@H](NCc1cccnc1Cl)CCC2 ZINC001201617117 1123131949 /nfs/dbraw/zinc/13/19/49/1123131949.db2.gz DQOIYIAZJDBTRR-LLVKDONJSA-N 0 1 293.823 3.667 20 0 CHADMN CCOC(=O)[C@H](CC)N1CCC[C@H](c2ccccc2)CC1 ZINC000441491828 1123150589 /nfs/dbraw/zinc/15/05/89/1123150589.db2.gz OAEXCYVPPDZZFN-IRXDYDNUSA-N 0 1 289.419 3.598 20 0 CHADMN CC1(C)CC[C@H]2C[C@H](NCc3cncnc3)c3cccc1c32 ZINC000334353126 1123156403 /nfs/dbraw/zinc/15/64/03/1123156403.db2.gz HYCCVQQLMMLWHX-YOEHRIQHSA-N 0 1 293.414 3.866 20 0 CHADMN Cc1noc2ncc(CNC3(c4ccccc4C)CC3)cc12 ZINC000895076245 1123160408 /nfs/dbraw/zinc/16/04/08/1123160408.db2.gz MYYKSZZOUUZZTB-UHFFFAOYSA-N 0 1 293.370 3.619 20 0 CHADMN ClC1(Cl)C[C@@H]1CN1CC[C@@H]1c1ccccc1 ZINC000749115955 1123162646 /nfs/dbraw/zinc/16/26/46/1123162646.db2.gz UUGOSROLJMKNEJ-VXGBXAGGSA-N 0 1 256.176 3.627 20 0 CHADMN Cc1cc(F)cc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001143586228 1123168437 /nfs/dbraw/zinc/16/84/37/1123168437.db2.gz UPXTYOPLAPXXPY-BETUJISGSA-N 0 1 269.310 3.611 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2cccc(Cl)c2)n1 ZINC000155518793 1129103617 /nfs/dbraw/zinc/10/36/17/1129103617.db2.gz LZHGYOSQWSXTCS-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN CC(C)(C)CC[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001202114597 1123175613 /nfs/dbraw/zinc/17/56/13/1123175613.db2.gz AQDZHAUKVLERAM-LLVKDONJSA-N 0 1 275.318 3.779 20 0 CHADMN CC(C)(C)CCN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001202114597 1123175615 /nfs/dbraw/zinc/17/56/15/1123175615.db2.gz AQDZHAUKVLERAM-LLVKDONJSA-N 0 1 275.318 3.779 20 0 CHADMN c1ccc(CN(Cc2ccccn2)CC2CCCC2)nc1 ZINC001202120395 1123176468 /nfs/dbraw/zinc/17/64/68/1123176468.db2.gz WOOWGNZTYHNOME-UHFFFAOYSA-N 0 1 281.403 3.669 20 0 CHADMN c1ccc(CN(Cc2cccnc2)CC2CCCC2)nc1 ZINC001202166942 1123180164 /nfs/dbraw/zinc/18/01/64/1123180164.db2.gz HKRIPENPYQNQKP-UHFFFAOYSA-N 0 1 281.403 3.669 20 0 CHADMN CCCCc1noc([C@@H](C)N[C@H]2CCCC2(C)C)n1 ZINC000191860531 1123181947 /nfs/dbraw/zinc/18/19/47/1123181947.db2.gz QHNIKUICHFDTCM-NEPJUHHUSA-N 0 1 265.401 3.642 20 0 CHADMN CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc3nc[nH]c3c2)C1(C)C ZINC000620903480 1129104916 /nfs/dbraw/zinc/10/49/16/1129104916.db2.gz BDUDGDQKRACZIT-WFASDCNBSA-N 0 1 283.375 3.740 20 0 CHADMN Cc1cccc(NC(=O)Nc2cnccc2N2CCCC2)c1 ZINC001202307022 1123194602 /nfs/dbraw/zinc/19/46/02/1123194602.db2.gz NMOQQTJBFKTBLU-UHFFFAOYSA-N 0 1 296.374 3.634 20 0 CHADMN CC1(C)CC[C@@H]2C[C@@H](NCc3cnccn3)c3cccc1c32 ZINC000334514336 1123196363 /nfs/dbraw/zinc/19/63/63/1123196363.db2.gz WPHHPYISADADCM-CXAGYDPISA-N 0 1 293.414 3.866 20 0 CHADMN CCc1nsc(-c2cc(CN3CCCC3)ccc2F)n1 ZINC000665141570 1123197842 /nfs/dbraw/zinc/19/78/42/1123197842.db2.gz HYCQQMVOINOBOE-UHFFFAOYSA-N 0 1 291.395 3.502 20 0 CHADMN CC(C)(C)c1nc(CNCCSC(F)(F)F)cs1 ZINC000193691123 1129105451 /nfs/dbraw/zinc/10/54/51/1129105451.db2.gz HQCOPRDVCMUWMH-UHFFFAOYSA-N 0 1 298.399 3.783 20 0 CHADMN CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000507794964 1123203616 /nfs/dbraw/zinc/20/36/16/1123203616.db2.gz KDYCIGUKFNZPJY-KRWDZBQOSA-N 0 1 285.362 3.713 20 0 CHADMN C[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)[C@@H]1CO ZINC000441716310 1123206335 /nfs/dbraw/zinc/20/63/35/1123206335.db2.gz OIOCRNBVPWHQLE-IINYFYTJSA-N 0 1 288.218 3.586 20 0 CHADMN CN(CCCC(F)(F)F)Cc1ccc(F)cc1F ZINC001202433565 1123211397 /nfs/dbraw/zinc/21/13/97/1123211397.db2.gz SMLSTAOFJSKMHD-UHFFFAOYSA-N 0 1 267.241 3.739 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)Nc2ccsc2C)o1 ZINC000634213662 1129106051 /nfs/dbraw/zinc/10/60/51/1129106051.db2.gz NUFIIDZOLVCZFS-UHFFFAOYSA-N 0 1 292.404 3.744 20 0 CHADMN Cc1ccc(NC(=O)Nc2c(O)cc(F)cc2F)cc1 ZINC001202432077 1123210817 /nfs/dbraw/zinc/21/08/17/1123210817.db2.gz SIXDQKKTWAGZEV-UHFFFAOYSA-N 0 1 278.258 3.623 20 0 CHADMN COc1ccc(CNCc2cnc(CC(C)C)s2)cc1 ZINC000161942644 1123211764 /nfs/dbraw/zinc/21/17/64/1123211764.db2.gz LJAGCSRMMCZZEQ-UHFFFAOYSA-N 0 1 290.432 3.640 20 0 CHADMN CC[C@@H]1C[C@H](CN(CC(F)F)CC2CCC2)CCO1 ZINC000507809962 1123218216 /nfs/dbraw/zinc/21/82/16/1123218216.db2.gz GDJDRUSPIGYIOR-ZIAGYGMSSA-N 0 1 275.383 3.559 20 0 CHADMN COc1ccc2ccccc2c1CN1CCCC[C@H]1C(C)=O ZINC001203991623 1123218767 /nfs/dbraw/zinc/21/87/67/1123218767.db2.gz RTHYCCWGXYYILV-SFHVURJKSA-N 0 1 297.398 3.792 20 0 CHADMN Cc1ccc2nc(SC[C@@H]3CCC[C@H](O)C3)[nH]c2c1 ZINC000388839632 1123220929 /nfs/dbraw/zinc/22/09/29/1123220929.db2.gz XXDDHSIXTLVIEF-NEPJUHHUSA-N 0 1 276.405 3.515 20 0 CHADMN Cc1cc(CN(Cc2ccccc2)CC(C)(C)C)n(C)n1 ZINC000417770424 1123226700 /nfs/dbraw/zinc/22/67/00/1123226700.db2.gz UBFIFDFBSYDYSE-UHFFFAOYSA-N 0 1 285.435 3.777 20 0 CHADMN Cc1cccc2ccnc(N[C@@H]3CCO[C@H](C)C3)c12 ZINC001161694890 1123230091 /nfs/dbraw/zinc/23/00/91/1123230091.db2.gz ATXJIIBBBPIKSK-TZMCWYRMSA-N 0 1 256.349 3.523 20 0 CHADMN CCc1cc(CNCc2cc3cccc(CC)c3o2)[nH]n1 ZINC000850136790 1123243825 /nfs/dbraw/zinc/24/38/25/1123243825.db2.gz DPQHCRNWZYINDP-UHFFFAOYSA-N 0 1 283.375 3.571 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccncn1)CCC2 ZINC000334530253 1123243879 /nfs/dbraw/zinc/24/38/79/1123243879.db2.gz IRQXDGCZAUORSU-SUMWQHHRSA-N 0 1 267.376 3.513 20 0 CHADMN CC(C)(C)NC(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001202478713 1123248195 /nfs/dbraw/zinc/24/81/95/1123248195.db2.gz KXZIPXYJYHNMKR-UHFFFAOYSA-N 0 1 277.151 3.619 20 0 CHADMN CSCC(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000427807250 1123249483 /nfs/dbraw/zinc/24/94/83/1123249483.db2.gz LZIPYRVVJRGAAG-UHFFFAOYSA-N 0 1 297.383 3.531 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H](C)c2cccc(OC(C)C)c2)cn1 ZINC000427824430 1123252943 /nfs/dbraw/zinc/25/29/43/1123252943.db2.gz IWIYQMOHDIEKFY-HUUCEWRRSA-N 0 1 299.418 3.984 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H](C)c2ccc3ncsc3c2)cn1 ZINC000427831449 1123252999 /nfs/dbraw/zinc/25/29/99/1123252999.db2.gz QLLVXQNBFULICU-VXGBXAGGSA-N 0 1 298.415 3.807 20 0 CHADMN CC(C)C[N@@H+](Cc1nc2c(s1)C[C@@H](C)CC2)C1CC1 ZINC000508023669 1123257370 /nfs/dbraw/zinc/25/73/70/1123257370.db2.gz ZGKFITJGXMXXOT-LBPRGKRZSA-N 0 1 278.465 3.888 20 0 CHADMN CC(C)CN(Cc1nc2c(s1)C[C@@H](C)CC2)C1CC1 ZINC000508023669 1123257373 /nfs/dbraw/zinc/25/73/73/1123257373.db2.gz ZGKFITJGXMXXOT-LBPRGKRZSA-N 0 1 278.465 3.888 20 0 CHADMN CC(C)Oc1cccc(CN[C@H]2C[C@H](O)c3ccccc32)c1 ZINC000850371473 1123258327 /nfs/dbraw/zinc/25/83/27/1123258327.db2.gz KCMCMINISWCKQP-OALUTQOASA-N 0 1 297.398 3.742 20 0 CHADMN Cc1cc(CN[C@H]2C[C@@H](O)c3ccccc32)ccc1Cl ZINC000850371810 1123259156 /nfs/dbraw/zinc/25/91/56/1123259156.db2.gz MEIOBRANEZIFHA-DLBZAZTESA-N 0 1 287.790 3.916 20 0 CHADMN CC(C)c1ncc(CN[C@@H]2C[C@H](O)c3ccccc32)s1 ZINC000850372840 1123259715 /nfs/dbraw/zinc/25/97/15/1123259715.db2.gz ZZBFTNZTCXEAJO-CABCVRRESA-N 0 1 288.416 3.535 20 0 CHADMN C[C@H](NC1(C(=O)Nc2ccccc2)CC1)c1cccs1 ZINC000427967273 1123265509 /nfs/dbraw/zinc/26/55/09/1123265509.db2.gz UFAZOTIALWFULS-LBPRGKRZSA-N 0 1 286.400 3.570 20 0 CHADMN CC[C@H](NC1(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000427987335 1123267036 /nfs/dbraw/zinc/26/70/36/1123267036.db2.gz KHBAXXWGZIZXRT-KRWDZBQOSA-N 0 1 294.398 3.899 20 0 CHADMN C[C@H](NC1(C(=O)Nc2ccccc2)CC1)c1cccc(F)c1 ZINC000427985446 1123267154 /nfs/dbraw/zinc/26/71/54/1123267154.db2.gz QTVAKGREXZEYMC-ZDUSSCGKSA-N 0 1 298.361 3.648 20 0 CHADMN CCCCCOC1CN(c2ccnc3ccccc32)C1 ZINC000428158588 1123277569 /nfs/dbraw/zinc/27/75/69/1123277569.db2.gz AVHNLJRPAFMCFE-UHFFFAOYSA-N 0 1 270.376 3.630 20 0 CHADMN CC(C)[C@@H](N[C@@H]1CCCc2n[nH]cc21)c1ccccc1F ZINC000850517187 1123278721 /nfs/dbraw/zinc/27/87/21/1123278721.db2.gz TVCFLMZNWIXKDK-NVXWUHKLSA-N 0 1 287.382 3.913 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CC3(C)C)n[nH]2)cc1C ZINC000428203491 1123279462 /nfs/dbraw/zinc/27/94/62/1123279462.db2.gz XNLSIJVVFMPIBY-INIZCTEOSA-N 0 1 297.402 3.564 20 0 CHADMN CCO[C@@H]1C[C@H](N(C)Cc2oc(C(C)C)nc2C)C1(C)C ZINC000428216030 1123281495 /nfs/dbraw/zinc/28/14/95/1123281495.db2.gz DLAUKBPOPIXOLN-LSDHHAIUSA-N 0 1 294.439 3.742 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2C[C@@H](O)c3ccccc32)c(C)o1 ZINC000850528630 1123283128 /nfs/dbraw/zinc/28/31/28/1123283128.db2.gz MFWGJFWKPCLJEG-MZPVMMEZSA-N 0 1 271.360 3.725 20 0 CHADMN COc1c(C)cc(CN(C)[C@H](C)c2cnc(C)cn2)cc1C ZINC000428219445 1123283946 /nfs/dbraw/zinc/28/39/46/1123283946.db2.gz MJEQYKAUVXFYIQ-OAHLLOKOSA-N 0 1 299.418 3.603 20 0 CHADMN O[C@@H]1C[C@@H](N[C@H]2CCc3c2cccc3F)c2ccccc21 ZINC000850529794 1123284060 /nfs/dbraw/zinc/28/40/60/1123284060.db2.gz TXYNNMWXGFIXMP-RCCFBDPRSA-N 0 1 283.346 3.581 20 0 CHADMN Cc1cc(F)c(CN2CC[C@H](c3cccnc3)C2)c(F)c1 ZINC000520814341 1123284798 /nfs/dbraw/zinc/28/47/98/1123284798.db2.gz YIUSUHUGXHOKRE-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN O[C@@H]1C[C@H](N[C@H]2CCc3ccc(F)cc32)c2ccccc21 ZINC000850530472 1123285258 /nfs/dbraw/zinc/28/52/58/1123285258.db2.gz ZBWJMCZCAQLTML-OKZBNKHCSA-N 0 1 283.346 3.581 20 0 CHADMN Cc1cnc(CNC2(Cc3ccc(Cl)cc3)CCC2)o1 ZINC000639201331 1123292996 /nfs/dbraw/zinc/29/29/96/1123292996.db2.gz IDVMHWVPBZFDBS-UHFFFAOYSA-N 0 1 290.794 3.891 20 0 CHADMN CC[C@H](N[C@@H](C)c1nccn1C)c1ccc2c(c1)CCCO2 ZINC000850573203 1123295417 /nfs/dbraw/zinc/29/54/17/1123295417.db2.gz WOLCUZAIAVMLBX-BBRMVZONSA-N 0 1 299.418 3.547 20 0 CHADMN C[C@H](N[C@@H]1CCc2cc(N)ccc21)c1cccc(F)c1F ZINC000665269491 1123295795 /nfs/dbraw/zinc/29/57/95/1123295795.db2.gz HJWVIJVVTAWBFO-MGPLVRAMSA-N 0 1 288.341 3.885 20 0 CHADMN C[C@H](O)[C@@H](N[C@@H](C)c1ccc(Cl)nc1)c1ccccc1 ZINC000850585512 1123296194 /nfs/dbraw/zinc/29/61/94/1123296194.db2.gz YVAZWWSXHCJMKR-MQIPJXDCSA-N 0 1 290.794 3.508 20 0 CHADMN Cc1cc(-c2nnc(CN3CC[C@@H](C)C[C@H]3C)o2)c(C)o1 ZINC000335086993 1123296864 /nfs/dbraw/zinc/29/68/64/1123296864.db2.gz JOSYSGOIEACWII-GHMZBOCLSA-N 0 1 289.379 3.567 20 0 CHADMN CCCN(Cc1cc(C)n(C)n1)[C@H]1CCc2ccccc21 ZINC000487414365 1123297922 /nfs/dbraw/zinc/29/79/22/1123297922.db2.gz WEFAWNFBMWOANN-SFHVURJKSA-N 0 1 283.419 3.628 20 0 CHADMN CCCN(Cc1cc(C)n(C)n1)[C@@H]1CCc2ccccc21 ZINC000487414363 1123298261 /nfs/dbraw/zinc/29/82/61/1123298261.db2.gz WEFAWNFBMWOANN-GOSISDBHSA-N 0 1 283.419 3.628 20 0 CHADMN Cn1cncc1CN[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000113346055 1123299056 /nfs/dbraw/zinc/29/90/56/1123299056.db2.gz YVENHNACGMXQDV-CYBMUJFWSA-N 0 1 296.201 3.504 20 0 CHADMN C[C@H]1C[C@H](NCc2ccc(F)cn2)c2ccccc21 ZINC000335120564 1123304912 /nfs/dbraw/zinc/30/49/12/1123304912.db2.gz WLTLNNUVAQOWAE-ZBEGNZNMSA-N 0 1 256.324 3.559 20 0 CHADMN CCN(Cc1ccccn1)C[C@@H]1CCC2(CCCCC2)O1 ZINC000190982115 1123311674 /nfs/dbraw/zinc/31/16/74/1123311674.db2.gz TWFAYDQBLPNKBP-KRWDZBQOSA-N 0 1 288.435 3.785 20 0 CHADMN Cc1cc(CN[C@H]2CC3(CCC3)Oc3ccccc32)ccn1 ZINC000335163542 1123317987 /nfs/dbraw/zinc/31/79/87/1123317987.db2.gz JDXBILKXNCXBCD-KRWDZBQOSA-N 0 1 294.398 3.926 20 0 CHADMN CN(Cc1ccc(Cl)c(F)c1)[C@H](CO)c1ccccc1 ZINC000442690572 1123335384 /nfs/dbraw/zinc/33/53/84/1123335384.db2.gz WHJMKFRPJPQDHR-MRXNPFEDSA-N 0 1 293.769 3.645 20 0 CHADMN CCc1ncc(CN2CCCC[C@H]2c2ccccc2)cn1 ZINC000414431783 1129116749 /nfs/dbraw/zinc/11/67/49/1129116749.db2.gz LPAJMUSNSDPQCH-KRWDZBQOSA-N 0 1 281.403 3.766 20 0 CHADMN CC1(C)CN(Cc2ccc(OC(F)F)cc2)CC(C)(C)O1 ZINC000442873387 1123344533 /nfs/dbraw/zinc/34/45/33/1123344533.db2.gz KOBUUTNGCWTCNG-UHFFFAOYSA-N 0 1 299.361 3.677 20 0 CHADMN FC(F)(F)c1cc(CN2CCC[C@H]3CCCC[C@H]32)[nH]n1 ZINC000442884394 1123346565 /nfs/dbraw/zinc/34/65/65/1123346565.db2.gz KEYMMWVGEUNLJC-ZYHUDNBSSA-N 0 1 287.329 3.583 20 0 CHADMN CCOc1ccc2nc(SCc3cncc(C)c3)[nH]c2c1 ZINC000442900571 1123349416 /nfs/dbraw/zinc/34/94/16/1123349416.db2.gz QAUBVVWIMRWGJH-UHFFFAOYSA-N 0 1 299.399 3.957 20 0 CHADMN Cc1cncc(CNC2(c3ccc(Cl)cc3)CC2)c1 ZINC000442904929 1123349537 /nfs/dbraw/zinc/34/95/37/1123349537.db2.gz VDQABSWYWUKYLL-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN Cc1cc(F)ccc1-c1noc(CN2[C@H](C)CC[C@@H]2C)n1 ZINC000443210475 1123365365 /nfs/dbraw/zinc/36/53/65/1123365365.db2.gz IYHXAQXLHROWAS-TXEJJXNPSA-N 0 1 289.354 3.557 20 0 CHADMN CC[C@H](CC(F)F)CN1CCC[C@H]1c1cc(C)on1 ZINC000851716778 1123374547 /nfs/dbraw/zinc/37/45/47/1123374547.db2.gz QVUSAFXFSBDAOU-YPMHNXCESA-N 0 1 272.339 3.801 20 0 CHADMN CC[C@H](CC(F)F)CN1CCC[C@@H]1c1cc(C)on1 ZINC000851716775 1123374665 /nfs/dbraw/zinc/37/46/65/1123374665.db2.gz QVUSAFXFSBDAOU-DGCLKSJQSA-N 0 1 272.339 3.801 20 0 CHADMN CN(CCCC1CCC1)CC(=O)Nc1ccccc1Cl ZINC000851723906 1123376040 /nfs/dbraw/zinc/37/60/40/1123376040.db2.gz OEJIIEVKLVYRFM-UHFFFAOYSA-N 0 1 294.826 3.791 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cccc(F)n1 ZINC000851773262 1123378883 /nfs/dbraw/zinc/37/88/83/1123378883.db2.gz SMMSWVUFMFCORV-MRXNPFEDSA-N 0 1 270.351 3.730 20 0 CHADMN Fc1ccc([C@@H]2CCCCN2CCOC(F)F)cc1 ZINC000851800332 1123382181 /nfs/dbraw/zinc/38/21/81/1123382181.db2.gz ZMRSDISXHAVLQE-ZDUSSCGKSA-N 0 1 273.298 3.592 20 0 CHADMN CCN(Cc1cccc(F)n1)[C@@H](C)c1cccc(O)c1 ZINC000851801914 1123382354 /nfs/dbraw/zinc/38/23/54/1123382354.db2.gz YTFCGMXTLGNGMH-LBPRGKRZSA-N 0 1 274.339 3.509 20 0 CHADMN CC[N@@H+](CCc1ccccn1)Cc1nsc2ccccc12 ZINC000851825096 1123383126 /nfs/dbraw/zinc/38/31/26/1123383126.db2.gz SJPQVMNIAQKJDC-UHFFFAOYSA-N 0 1 297.427 3.756 20 0 CHADMN CCN(CCc1ccccn1)Cc1nsc2ccccc12 ZINC000851825096 1123383129 /nfs/dbraw/zinc/38/31/29/1123383129.db2.gz SJPQVMNIAQKJDC-UHFFFAOYSA-N 0 1 297.427 3.756 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](Cc1cccc(F)n1)C1CC1 ZINC000851829597 1123383629 /nfs/dbraw/zinc/38/36/29/1123383629.db2.gz YMJRIQCQAZLOJW-ZDUSSCGKSA-N 0 1 270.351 3.946 20 0 CHADMN C[C@@H](c1ccccc1)N(Cc1cccc(F)n1)C1CC1 ZINC000851829597 1123383632 /nfs/dbraw/zinc/38/36/32/1123383632.db2.gz YMJRIQCQAZLOJW-ZDUSSCGKSA-N 0 1 270.351 3.946 20 0 CHADMN Cc1ccnc(NCc2ccc3nccnc3c2)c1C1CC1 ZINC000634573167 1129118205 /nfs/dbraw/zinc/11/82/05/1129118205.db2.gz FRLCCKXIRCFJHU-UHFFFAOYSA-N 0 1 290.370 3.823 20 0 CHADMN C[C@@]1(NCc2cccc(F)n2)CCCc2ccccc21 ZINC000851841724 1123384757 /nfs/dbraw/zinc/38/47/57/1123384757.db2.gz XLDNKKVBHNPCPD-QGZVFWFLSA-N 0 1 270.351 3.562 20 0 CHADMN Cc1nc(CN[C@H](C)Cc2coc3ccccc23)cs1 ZINC000648412634 1123390117 /nfs/dbraw/zinc/39/01/17/1123390117.db2.gz AJMWQHBCNHJBFB-LLVKDONJSA-N 0 1 286.400 3.919 20 0 CHADMN CC[C@@H](c1cccc(OC)c1)N(C)Cc1cccc(F)n1 ZINC000852052896 1123394587 /nfs/dbraw/zinc/39/45/87/1123394587.db2.gz VKJOZYVDKPPKDH-INIZCTEOSA-N 0 1 288.366 3.812 20 0 CHADMN Fc1cncc(CN[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000335694456 1123395725 /nfs/dbraw/zinc/39/57/25/1123395725.db2.gz BHSROHRIWKRQJS-HNNXBMFYSA-N 0 1 276.742 3.651 20 0 CHADMN O=c1cc(C2CCC2)[nH]n1-c1ccc(Cl)c(Cl)c1 ZINC000634585864 1129119063 /nfs/dbraw/zinc/11/90/63/1129119063.db2.gz ULOPJIPHQWQNJB-UHFFFAOYSA-N 0 1 283.158 3.886 20 0 CHADMN CC[C@@H](NCc1cnn(C)c1C1CC1)c1ccccc1F ZINC000895201020 1123406501 /nfs/dbraw/zinc/40/65/01/1123406501.db2.gz XCICDUQRHYNCHD-MRXNPFEDSA-N 0 1 287.382 3.678 20 0 CHADMN COCCN(CCF)[C@@H](C)c1ccc2ccccc2c1 ZINC000852483358 1123406665 /nfs/dbraw/zinc/40/66/65/1123406665.db2.gz HKGQNEMYFZRNGH-AWEZNQCLSA-N 0 1 275.367 3.819 20 0 CHADMN Clc1cc(CN2CCC[C@H]([C@H]3CCCCO3)C2)ccn1 ZINC000852594913 1123409956 /nfs/dbraw/zinc/40/99/56/1123409956.db2.gz DVXVFCZZDIRUOZ-LSDHHAIUSA-N 0 1 294.826 3.516 20 0 CHADMN CC(C)(C)c1nnc(CN2CCCC[C@H]2CC2CCC2)o1 ZINC000852712281 1123412543 /nfs/dbraw/zinc/41/25/43/1123412543.db2.gz NGDYXFFWKQMVPH-AWEZNQCLSA-N 0 1 291.439 3.912 20 0 CHADMN Cl/C=C/CN1CCC2(C=Cc3ccccc3O2)CC1 ZINC000852730871 1123414071 /nfs/dbraw/zinc/41/40/71/1123414071.db2.gz WCBNFDNDRXCKAA-XCVCLJGOSA-N 0 1 275.779 3.679 20 0 CHADMN CCCCCC[C@@H](CC)CN(C)[C@H](C)c1nncn1C ZINC000852724569 1123414112 /nfs/dbraw/zinc/41/41/12/1123414112.db2.gz GWQSXWSBICVJKQ-HUUCEWRRSA-N 0 1 280.460 3.805 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccc3c(c2)CCCO3)nc1 ZINC000852779595 1123414619 /nfs/dbraw/zinc/41/46/19/1123414619.db2.gz HJDTWTXLNWPFDS-CQSZACIVSA-N 0 1 296.414 3.820 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](C)c2ccc3c(c2)CCCO3)cn1 ZINC000852782918 1123415848 /nfs/dbraw/zinc/41/58/48/1123415848.db2.gz XCDQMSCFNWGRAC-KGLIPLIRSA-N 0 1 297.402 3.522 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](CO)c2ccsc2)cc1C ZINC000349378032 1123416983 /nfs/dbraw/zinc/41/69/83/1123416983.db2.gz KJYNWJBSLJHSQS-BBRMVZONSA-N 0 1 275.417 3.749 20 0 CHADMN CCCCCC[C@@H](CC)CN(C)C(=O)c1cnccc1N ZINC000852918278 1123416992 /nfs/dbraw/zinc/41/69/92/1123416992.db2.gz WOTKUQBFVOUUIE-CQSZACIVSA-N 0 1 291.439 3.563 20 0 CHADMN COc1c(O)cccc1CN(C)[C@@H]1CCCc2ccccc21 ZINC000543702426 1123428274 /nfs/dbraw/zinc/42/82/74/1123428274.db2.gz RZNDCGWEHQVOFQ-QGZVFWFLSA-N 0 1 297.398 3.910 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000853239415 1123428849 /nfs/dbraw/zinc/42/88/49/1123428849.db2.gz ASCLJBUHRKEOKW-GXTWGEPZSA-N 0 1 297.402 3.522 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cncc(F)c1)CCC2 ZINC000335790223 1123430863 /nfs/dbraw/zinc/43/08/63/1123430863.db2.gz VWHNIADXERWSNY-INIZCTEOSA-N 0 1 274.314 3.527 20 0 CHADMN CC1(C)C[C@@H](NCc2cncc(F)c2)c2ccccc2O1 ZINC000335790588 1123431153 /nfs/dbraw/zinc/43/11/53/1123431153.db2.gz HNRFWHBJZCZEEZ-OAHLLOKOSA-N 0 1 286.350 3.613 20 0 CHADMN Clc1sccc1CN1CCC(c2c[nH]cn2)CC1 ZINC000335831278 1123440992 /nfs/dbraw/zinc/44/09/92/1123440992.db2.gz MOKGDISREAXDDY-UHFFFAOYSA-N 0 1 281.812 3.504 20 0 CHADMN Cc1nc(CN2CCC3(CCCC3)CC2)c(C)s1 ZINC000443614933 1123444841 /nfs/dbraw/zinc/44/48/41/1123444841.db2.gz FTKYZQAPBPYJBC-UHFFFAOYSA-N 0 1 264.438 3.916 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000443612400 1123444991 /nfs/dbraw/zinc/44/49/91/1123444991.db2.gz FLYYRDDRFUWQCH-AWEZNQCLSA-N 0 1 291.439 3.985 20 0 CHADMN Cc1ccccc1-c1nc(CN2CC[C@H](C)C[C@@H](C)C2)no1 ZINC000443639769 1123455387 /nfs/dbraw/zinc/45/53/87/1123455387.db2.gz LOBUKBWLZFXIGB-UONOGXRCSA-N 0 1 299.418 3.913 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@H](C)C[C@@H](C)C2)n1 ZINC000443637234 1123456241 /nfs/dbraw/zinc/45/62/41/1123456241.db2.gz AQSAEXKOSZIALI-MJBXVCDLSA-N 0 1 279.428 3.841 20 0 CHADMN C[C@@]1(C(N)=O)CCCC[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000335888311 1123459075 /nfs/dbraw/zinc/45/90/75/1123459075.db2.gz AIHCHEVHJOFIJI-AAEUAGOBSA-N 0 1 274.355 3.592 20 0 CHADMN CC1(C)CN(CC[C@H](O)c2ccccc2)[C@@H]1c1ccncc1 ZINC000854040336 1123467443 /nfs/dbraw/zinc/46/74/43/1123467443.db2.gz QOSWTXAXQZHWTG-ZWKOTPCHSA-N 0 1 296.414 3.588 20 0 CHADMN CC[C@H](NC)c1nc(-c2ccc3cc(OC)ccc3c2)no1 ZINC000854136369 1123471321 /nfs/dbraw/zinc/47/13/21/1123471321.db2.gz FMYKTAIREBYSDO-HNNXBMFYSA-N 0 1 297.358 3.569 20 0 CHADMN CC[C@H](NC)c1nc(-c2ccc(SC)cc2Cl)no1 ZINC000854142343 1123471435 /nfs/dbraw/zinc/47/14/35/1123471435.db2.gz KEGRFBMYYVZOPX-NSHDSACASA-N 0 1 297.811 3.782 20 0 CHADMN CN(C)Cc1cc(-c2ccc([C@@H](O)C3CC3)cc2)ccc1F ZINC000854197588 1123475463 /nfs/dbraw/zinc/47/54/63/1123475463.db2.gz OQLYUNZDTQQZQG-LJQANCHMSA-N 0 1 299.389 3.998 20 0 CHADMN Cc1cccc(C2=CCN([C@H](C)c3cnc(C)cn3)CC2)c1 ZINC000428290751 1123477540 /nfs/dbraw/zinc/47/75/40/1123477540.db2.gz NXLZJIQKTBRYAG-MRXNPFEDSA-N 0 1 293.414 3.944 20 0 CHADMN C[C@H](NC(=O)c1ccc(O)c(Cl)c1)C1CCCCC1 ZINC000052343675 1123480914 /nfs/dbraw/zinc/48/09/14/1123480914.db2.gz WAYIYSYWVFANLK-JTQLQIEISA-N 0 1 281.783 3.744 20 0 CHADMN CO[C@H](CNCc1nc2ccccc2o1)C1CCCCC1 ZINC000639335417 1123482402 /nfs/dbraw/zinc/48/24/02/1123482402.db2.gz NGLWFKZDBWPCIT-MRXNPFEDSA-N 0 1 288.391 3.513 20 0 CHADMN CSc1ccc(CN2CC[C@](C)(C(F)(F)F)C2)o1 ZINC000895474851 1123485043 /nfs/dbraw/zinc/48/50/43/1123485043.db2.gz ZYPBAUAFDONBMD-NSHDSACASA-N 0 1 279.327 3.776 20 0 CHADMN Cc1ccccc1[C@H](C(C)C)N(C)CN1CCSC1=O ZINC000112332153 1123489213 /nfs/dbraw/zinc/48/92/13/1123489213.db2.gz BYUICBWIRBHIFZ-HNNXBMFYSA-N 0 1 292.448 3.750 20 0 CHADMN CC[C@H](N[C@@H]1CCc2c1nccc2Cl)c1ccncc1 ZINC000925128828 1123489357 /nfs/dbraw/zinc/48/93/57/1123489357.db2.gz GPABIOOYENJGIB-LSDHHAIUSA-N 0 1 287.794 3.858 20 0 CHADMN FC[C@@H]1CCCN(Cc2cnc(C3CCC3)s2)C1 ZINC000895543643 1123490149 /nfs/dbraw/zinc/49/01/49/1123490149.db2.gz DOHAGRQPGLCAEX-NSHDSACASA-N 0 1 268.401 3.592 20 0 CHADMN CC(=CC(C)(C)C)C(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000854644106 1123491809 /nfs/dbraw/zinc/49/18/09/1123491809.db2.gz FGOPPJVABWEZLF-KHPPLWFESA-N 0 1 299.374 3.713 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@@H+](Cn1cnnc1)C1CC1 ZINC000776756818 1123494732 /nfs/dbraw/zinc/49/47/32/1123494732.db2.gz BRTQBKYWFDNTQJ-CQSZACIVSA-N 0 1 292.386 3.614 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)N(Cn1cnnc1)C1CC1 ZINC000776756818 1123494733 /nfs/dbraw/zinc/49/47/33/1123494733.db2.gz BRTQBKYWFDNTQJ-CQSZACIVSA-N 0 1 292.386 3.614 20 0 CHADMN C[C@]1(F)CCCN(Cc2c[nH]c3c2cccc3F)C1 ZINC001137051124 1123496933 /nfs/dbraw/zinc/49/69/33/1123496933.db2.gz FVLZSHPJWOABEN-HNNXBMFYSA-N 0 1 264.319 3.631 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000398936929 1123497473 /nfs/dbraw/zinc/49/74/73/1123497473.db2.gz UXTUGORXDMJYOK-FMKPAKJESA-N 0 1 297.398 3.943 20 0 CHADMN CSc1ccc(CN2CCC3(CCCCO3)CC2)o1 ZINC000895653389 1123503520 /nfs/dbraw/zinc/50/35/20/1123503520.db2.gz IKRYSHCWGWIDJA-UHFFFAOYSA-N 0 1 281.421 3.537 20 0 CHADMN CCCCCC[C@@](C)(CC)C(=O)N(C)Cc1cnc[nH]1 ZINC000855134453 1123506860 /nfs/dbraw/zinc/50/68/60/1123506860.db2.gz OTTGHBNOOPAQRM-MRXNPFEDSA-N 0 1 279.428 3.755 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1csc(C(=O)[O-])c1)C(C)(C)C ZINC000634697378 1129126083 /nfs/dbraw/zinc/12/60/83/1129126083.db2.gz IAZDMATWOMZLBL-JTQLQIEISA-N 0 1 269.410 3.560 20 0 CHADMN FC(F)(F)c1nc(CN[C@@]23C[C@@H]2CCCC3)cs1 ZINC000895754576 1123511779 /nfs/dbraw/zinc/51/17/79/1123511779.db2.gz XNCVIJYISUHORN-KWQFWETISA-N 0 1 276.327 3.584 20 0 CHADMN CN(Cc1coc2ccc(F)cc12)Cc1ccncc1 ZINC001141846654 1123520442 /nfs/dbraw/zinc/52/04/42/1123520442.db2.gz HPRZUZVNNMLTGJ-UHFFFAOYSA-N 0 1 270.307 3.599 20 0 CHADMN CN(Cc1coc2ccc(F)cc12)C1CC(F)(F)C1 ZINC001141846734 1123521594 /nfs/dbraw/zinc/52/15/94/1123521594.db2.gz KOSPWILCFSKMEK-UHFFFAOYSA-N 0 1 269.266 3.801 20 0 CHADMN Cc1n[nH]c(C(=O)NC(C)(C)CC2CCCCCC2)c1C ZINC000474409121 1123522224 /nfs/dbraw/zinc/52/22/24/1123522224.db2.gz CMVJEZCDXYUZBY-UHFFFAOYSA-N 0 1 291.439 3.895 20 0 CHADMN Oc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000034412541 1123523778 /nfs/dbraw/zinc/52/37/78/1123523778.db2.gz NXVOCXHGCVHFSN-UHFFFAOYSA-N 0 1 278.233 3.954 20 0 CHADMN CN(CC1CC1)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000053184729 1123524913 /nfs/dbraw/zinc/52/49/13/1123524913.db2.gz UBPUGNWZHSFQFJ-GOSISDBHSA-N 0 1 294.398 3.708 20 0 CHADMN CC[C@](C)(NCc1ccc(COC)o1)c1ccc(F)cc1 ZINC000631195451 1123525354 /nfs/dbraw/zinc/52/53/54/1123525354.db2.gz YEZRIQSYEBBBBX-KRWDZBQOSA-N 0 1 291.366 3.980 20 0 CHADMN CC[C@H](C)[C@@H](C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474430421 1123528121 /nfs/dbraw/zinc/52/81/21/1123528121.db2.gz CKPQLRFJZSXGLU-JGVFFNPUSA-N 0 1 273.735 3.805 20 0 CHADMN C[C@H]1CCC[C@@H](C(=O)Nc2cc(F)cc(Cl)c2O)C1 ZINC000474440804 1123530960 /nfs/dbraw/zinc/53/09/60/1123530960.db2.gz VFAZYLRBWHOPLK-DTWKUNHWSA-N 0 1 285.746 3.950 20 0 CHADMN CCn1ncnc1CN1CCC[C@@H]1CCC1CCCCC1 ZINC000193406059 1123532987 /nfs/dbraw/zinc/53/29/87/1123532987.db2.gz ZLXGVHUXCCLYDJ-MRXNPFEDSA-N 0 1 290.455 3.623 20 0 CHADMN CCc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2C)nc1 ZINC000338979899 1123533015 /nfs/dbraw/zinc/53/30/15/1123533015.db2.gz FKCAQFLNRRXCSF-AWEZNQCLSA-N 0 1 266.388 3.763 20 0 CHADMN CCc1ccc(CN2CCc3ccccc3[C@@H]2C)nc1 ZINC000338979899 1123533020 /nfs/dbraw/zinc/53/30/20/1123533020.db2.gz FKCAQFLNRRXCSF-AWEZNQCLSA-N 0 1 266.388 3.763 20 0 CHADMN Cc1ccc(C(C)(C)CNCc2nc3ccccc3o2)nc1 ZINC000639369999 1123555696 /nfs/dbraw/zinc/55/56/96/1123555696.db2.gz UAAGEOQPGJHGBB-UHFFFAOYSA-N 0 1 295.386 3.599 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cc(F)ccc2C)s1 ZINC000631224302 1123558113 /nfs/dbraw/zinc/55/81/13/1123558113.db2.gz SQSHWPGZSCRHHV-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN CCOc1cc(CNCc2cc(C)oc2C)ccc1OC ZINC000114504894 1123564709 /nfs/dbraw/zinc/56/47/09/1123564709.db2.gz JAFMZSACHCWROJ-UHFFFAOYSA-N 0 1 289.375 3.594 20 0 CHADMN Cc1nccnc1CN[C@H](C)c1csc2ccccc21 ZINC000856769358 1123567064 /nfs/dbraw/zinc/56/70/64/1123567064.db2.gz MLYUKMOTPJNDSE-LLVKDONJSA-N 0 1 283.400 3.851 20 0 CHADMN CN(Cc1ccc(Cl)nc1)Cc1cccc2cccnc21 ZINC000080909085 1129130156 /nfs/dbraw/zinc/13/01/56/1129130156.db2.gz QHJBGNGZHMDHHG-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cn(C)nc1Cl)CCC2 ZINC000856788765 1123568906 /nfs/dbraw/zinc/56/89/06/1123568906.db2.gz SNHDZNHBVWOBMJ-HNNXBMFYSA-N 0 1 289.810 3.549 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(C)Cc1cn(C)nc1Cl ZINC000857024746 1123579301 /nfs/dbraw/zinc/57/93/01/1123579301.db2.gz ROWJUBNKVVAYSP-HNNXBMFYSA-N 0 1 291.826 3.527 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)N(Cc2cn(C)nc2Cl)C1 ZINC000857045941 1123581493 /nfs/dbraw/zinc/58/14/93/1123581493.db2.gz AZEMHGYNJUHGOT-SWLSCSKDSA-N 0 1 289.810 3.657 20 0 CHADMN Cc1nc(CN2CCCC[C@@H]2c2ccc(C(C)C)cc2)n[nH]1 ZINC000428301410 1123585670 /nfs/dbraw/zinc/58/56/70/1123585670.db2.gz AAYISHGVATXJBY-QGZVFWFLSA-N 0 1 298.434 3.964 20 0 CHADMN Cn1ccc([C@@H]2CCCN(Cc3cc(Cl)cs3)C2)n1 ZINC000896488695 1123588402 /nfs/dbraw/zinc/58/84/02/1123588402.db2.gz JZXNNHKZUAEHBY-LLVKDONJSA-N 0 1 295.839 3.515 20 0 CHADMN FCCC1CCN(Cc2nc3c(s2)CCCC3)CC1 ZINC000639376567 1123600095 /nfs/dbraw/zinc/60/00/95/1123600095.db2.gz PGVPDJRMMPKFOF-UHFFFAOYSA-N 0 1 282.428 3.594 20 0 CHADMN Fc1cccc(Br)c1CN1CC[C@H]2CCC[C@H]21 ZINC000474931673 1123613943 /nfs/dbraw/zinc/61/39/43/1123613943.db2.gz HYVMJPGBRFAXKX-QMTHXVAHSA-N 0 1 298.199 3.963 20 0 CHADMN CCCCN(Cc1c(C)oc(C)c1C)Cc1cncnc1 ZINC000896739820 1123617994 /nfs/dbraw/zinc/61/79/94/1123617994.db2.gz ABGSRDHKAGSJRE-UHFFFAOYSA-N 0 1 287.407 3.797 20 0 CHADMN CC(C)(/C=C\Cl)NCc1cnc(CC(F)(F)F)s1 ZINC000896750132 1123619497 /nfs/dbraw/zinc/61/94/97/1123619497.db2.gz BGKZXYRCQNQILC-ARJAWSKDSA-N 0 1 298.761 3.869 20 0 CHADMN c1csc([C@H](N[C@H]2CCCc3c[nH]nc32)C2CC2)c1 ZINC000857847358 1123621199 /nfs/dbraw/zinc/62/11/99/1123621199.db2.gz ZCPMGIMYHAOGAN-SWLSCSKDSA-N 0 1 273.405 3.590 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1c[nH]nc1C(C)(C)C ZINC000157840720 1129133969 /nfs/dbraw/zinc/13/39/69/1129133969.db2.gz HVLXSVPFFYNOJK-LLVKDONJSA-N 0 1 277.437 3.962 20 0 CHADMN Fc1cccc2c1CCC[C@H]2N[C@@H]1CCCc2c[nH]nc21 ZINC000857868168 1123623075 /nfs/dbraw/zinc/62/30/75/1123623075.db2.gz QBSDBNGIYXZUPE-HZPDHXFCSA-N 0 1 285.366 3.593 20 0 CHADMN Fc1cccc2c1CCC[C@@H]2N[C@@H]1CCCc2c[nH]nc21 ZINC000857868169 1123623214 /nfs/dbraw/zinc/62/32/14/1123623214.db2.gz QBSDBNGIYXZUPE-JKSUJKDBSA-N 0 1 285.366 3.593 20 0 CHADMN c1ccc([C@@H]2CC[C@@H](CN3Cc4ccncc4C3)C2)cc1 ZINC000857882958 1123624059 /nfs/dbraw/zinc/62/40/59/1123624059.db2.gz XHKUVDXHBLSJRZ-NVXWUHKLSA-N 0 1 278.399 3.981 20 0 CHADMN CC1(C)CCC[C@@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000329577490 1123626388 /nfs/dbraw/zinc/62/63/88/1123626388.db2.gz KHGPVZSTSUEZAN-LLVKDONJSA-N 0 1 282.347 3.907 20 0 CHADMN CCn1cc(CN[C@H](C)c2ccc(F)cc2C)c(C)n1 ZINC000896800151 1123628211 /nfs/dbraw/zinc/62/82/11/1123628211.db2.gz YFERTTLLMNHEJA-CYBMUJFWSA-N 0 1 275.371 3.510 20 0 CHADMN Cc1ccc(CN2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)o1 ZINC000858015232 1123628710 /nfs/dbraw/zinc/62/87/10/1123628710.db2.gz TVZVUCBOCBJNJO-QGZVFWFLSA-N 0 1 298.386 3.514 20 0 CHADMN COc1ccsc1CN1CC2(CCCC2)OC(C)(C)C1 ZINC000443791210 1123629384 /nfs/dbraw/zinc/62/93/84/1123629384.db2.gz PYOSBKLLELEUSK-UHFFFAOYSA-N 0 1 295.448 3.680 20 0 CHADMN CC(C)Oc1ccc([C@H](C)NCc2ccnc(F)c2)cc1 ZINC000858098044 1123631023 /nfs/dbraw/zinc/63/10/23/1123631023.db2.gz DZPUJGXNEYIHBR-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN CC(C)O[C@H](CN1CCC[C@@H]1c1ncc[nH]1)c1ccccc1 ZINC000428306164 1123631646 /nfs/dbraw/zinc/63/16/46/1123631646.db2.gz OAIXTLTWDRZNEI-IAGOWNOFSA-N 0 1 299.418 3.713 20 0 CHADMN CC(C)COc1ccccc1CNCc1ccnc(F)c1 ZINC000858105312 1123631717 /nfs/dbraw/zinc/63/17/17/1123631717.db2.gz MLTQXOTYPGHCMW-UHFFFAOYSA-N 0 1 288.366 3.545 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccnc(F)c2)cc(C)c1F ZINC000858146538 1123634452 /nfs/dbraw/zinc/63/44/52/1123634452.db2.gz FXXRYTGVVIJUAF-GFCCVEGCSA-N 0 1 276.330 3.827 20 0 CHADMN CCN(CC1CC1)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000157957027 1129134891 /nfs/dbraw/zinc/13/48/91/1129134891.db2.gz NGJVYLWTDVSLBO-NSHDSACASA-N 0 1 250.386 3.765 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1ccnc(F)c1 ZINC000858162019 1123635176 /nfs/dbraw/zinc/63/51/76/1123635176.db2.gz LPCMGZUXOXQUHF-LLVKDONJSA-N 0 1 276.380 3.793 20 0 CHADMN Fc1cc(CNCc2ccc(C3CCC3)cc2)ccn1 ZINC000858160977 1123635252 /nfs/dbraw/zinc/63/52/52/1123635252.db2.gz XBHKFLQPHGMJFL-UHFFFAOYSA-N 0 1 270.351 3.778 20 0 CHADMN Cc1cc(CN[C@H]2CC23CC3)c(Br)cc1F ZINC000858183162 1123636044 /nfs/dbraw/zinc/63/60/44/1123636044.db2.gz WLWQTFBNOWOILY-LBPRGKRZSA-N 0 1 284.172 3.539 20 0 CHADMN CC[C@H](NCc1ccnc(F)c1)c1ccccc1F ZINC000858184565 1123636561 /nfs/dbraw/zinc/63/65/61/1123636561.db2.gz MPJPKQVWCBXRCB-AWEZNQCLSA-N 0 1 262.303 3.601 20 0 CHADMN CO[C@H](CN[C@H](C)c1ccc(Cl)c(F)c1)C(F)(F)F ZINC000777007937 1123637547 /nfs/dbraw/zinc/63/75/47/1123637547.db2.gz NQDVKXHZCCEVOP-RDDDGLTNSA-N 0 1 299.695 3.707 20 0 CHADMN Cn1c(Cl)ncc1CN[C@H]1CCc2ccc(Cl)cc21 ZINC000858321218 1123645193 /nfs/dbraw/zinc/64/51/93/1123645193.db2.gz WCEFBWYAFVYFLK-ZDUSSCGKSA-N 0 1 296.201 3.504 20 0 CHADMN Cc1ccc(CNC(C)(C)c2ccc3ccccc3c2)nn1 ZINC000858321770 1123645252 /nfs/dbraw/zinc/64/52/52/1123645252.db2.gz NEHUISAPCIVVPL-UHFFFAOYSA-N 0 1 291.398 3.963 20 0 CHADMN Fc1cc(CNCc2ccccc2CC(F)(F)F)ccn1 ZINC000858330222 1123646367 /nfs/dbraw/zinc/64/63/67/1123646367.db2.gz ZBELCHJCQUPDSM-UHFFFAOYSA-N 0 1 298.283 3.615 20 0 CHADMN CC(C)c1nnc(CN[C@H]2CCCCC23CCCC3)o1 ZINC000329806505 1123655058 /nfs/dbraw/zinc/65/50/58/1123655058.db2.gz LIKBTTLHMIKQHM-ZDUSSCGKSA-N 0 1 277.412 3.786 20 0 CHADMN c1cc(CN[C@H]2CC3(CCC3)Oc3ccccc32)sn1 ZINC000858450222 1123655358 /nfs/dbraw/zinc/65/53/58/1123655358.db2.gz CXIJMLSFGCWWJI-AWEZNQCLSA-N 0 1 286.400 3.679 20 0 CHADMN CC(C)Cn1ccnc1NCc1ccc(OCC2CC2)cc1 ZINC000508453008 1123656856 /nfs/dbraw/zinc/65/68/56/1123656856.db2.gz PFALGHBNXLDSBM-UHFFFAOYSA-N 0 1 299.418 3.940 20 0 CHADMN C[C@@H]1CN(Cc2cccc3c2OCO3)Cc2ccccc21 ZINC001141948086 1123657513 /nfs/dbraw/zinc/65/75/13/1123657513.db2.gz MMMDAXXPXAROQZ-CYBMUJFWSA-N 0 1 281.355 3.535 20 0 CHADMN CC(=O)Nc1ccc([C@@H](C)N[C@@H](C)c2ccns2)cc1 ZINC000858578348 1123664843 /nfs/dbraw/zinc/66/48/43/1123664843.db2.gz UTZXVEODBYMHKS-MNOVXSKESA-N 0 1 289.404 3.513 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccns1)c1ccc2c(c1)CCCO2 ZINC000858578416 1123665984 /nfs/dbraw/zinc/66/59/84/1123665984.db2.gz ZNVONRHOZANHLK-NEPJUHHUSA-N 0 1 288.416 3.880 20 0 CHADMN CCc1cnc(C[N@H+]2CC[C@H](C)C[C@@H](C)C2)s1 ZINC000346184772 1123668485 /nfs/dbraw/zinc/66/84/85/1123668485.db2.gz XPAKMEUWUABFRS-NWDGAFQWSA-N 0 1 252.427 3.574 20 0 CHADMN CCS[C@@H]1CC[C@H](N(C)Cc2ncc(CC)s2)C1 ZINC000346174121 1123670145 /nfs/dbraw/zinc/67/01/45/1123670145.db2.gz NMFMLWUDCLHZJY-WCQYABFASA-N 0 1 284.494 3.812 20 0 CHADMN C[C@H](c1ccccc1)N(Cc1ccnc(F)c1)C1CC1 ZINC000859176328 1123688754 /nfs/dbraw/zinc/68/87/54/1123688754.db2.gz STVPGLXYZUAJRD-CYBMUJFWSA-N 0 1 270.351 3.946 20 0 CHADMN Cn1nc(CN[C@@H](c2ccccc2)C2CCC2)cc1Cl ZINC000859188417 1123689549 /nfs/dbraw/zinc/68/95/49/1123689549.db2.gz ONAGMTKKIGEBSY-INIZCTEOSA-N 0 1 289.810 3.705 20 0 CHADMN Fc1cc(CN2CCCC[C@@H]2c2ccccc2)ccn1 ZINC000859252089 1123693226 /nfs/dbraw/zinc/69/32/26/1123693226.db2.gz JEKJMOWILUTEQV-MRXNPFEDSA-N 0 1 270.351 3.948 20 0 CHADMN CCc1ccc([C@@H]2CC[N@@H+](Cc3ccnc(F)c3)C2)cc1 ZINC000859314005 1123695075 /nfs/dbraw/zinc/69/50/75/1123695075.db2.gz NKMCXDHMIWZIDG-QGZVFWFLSA-N 0 1 284.378 3.773 20 0 CHADMN C[C@H](c1nc(-c2ccc3[nH]cnc3c2)no1)c1ccccc1 ZINC000346597524 1123697101 /nfs/dbraw/zinc/69/71/01/1123697101.db2.gz IDHCHNUVQXSNKZ-NSHDSACASA-N 0 1 290.326 3.765 20 0 CHADMN CC(C)[C@@]1(C)C[C@@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000346618762 1123698705 /nfs/dbraw/zinc/69/87/05/1123698705.db2.gz ZCBJHSSSWLYGCB-BDJLRTHQSA-N 0 1 282.347 3.763 20 0 CHADMN CC1(C)CCC(C)(C)N(Cc2cnc(Cl)cn2)C1 ZINC000859473868 1123699304 /nfs/dbraw/zinc/69/93/04/1123699304.db2.gz IGJHKIZDALOKCJ-UHFFFAOYSA-N 0 1 267.804 3.531 20 0 CHADMN c1nc2ccc(NCc3c[nH]nc3-c3ccccc3)cc2[nH]1 ZINC000346653773 1123700754 /nfs/dbraw/zinc/70/07/54/1123700754.db2.gz DDFKAZAPRYYDDK-UHFFFAOYSA-N 0 1 289.342 3.565 20 0 CHADMN C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000859782758 1123709732 /nfs/dbraw/zinc/70/97/32/1123709732.db2.gz ZUROMVIHVZMLOP-LBPRGKRZSA-N 0 1 289.375 3.927 20 0 CHADMN Cc1nn(C(C)C)cc1CNCc1ccc(Cl)cc1 ZINC000281504560 1123711503 /nfs/dbraw/zinc/71/15/03/1123711503.db2.gz WWPWHWNYWAXART-UHFFFAOYSA-N 0 1 277.799 3.716 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000859815616 1123711746 /nfs/dbraw/zinc/71/17/46/1123711746.db2.gz QXXLHEQWTRZZES-XYJFISCASA-N 0 1 293.451 3.946 20 0 CHADMN c1nc(CN2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)oc1C1CC1 ZINC000859927863 1123715694 /nfs/dbraw/zinc/71/56/94/1123715694.db2.gz UYPBTDWYUSMQAL-YESZJQIVSA-N 0 1 294.398 3.788 20 0 CHADMN CC(C)CCc1noc(CN(C)[C@@H]2CCCC[C@H]2C)n1 ZINC000444040617 1123722494 /nfs/dbraw/zinc/72/24/94/1123722494.db2.gz SFTPUNLTOGFEGU-ZIAGYGMSSA-N 0 1 279.428 3.669 20 0 CHADMN Cc1n[nH]c(C)c1CN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000648074225 1123741834 /nfs/dbraw/zinc/74/18/34/1123741834.db2.gz DJIQUKLSBUKVDA-SFHVURJKSA-N 0 1 293.414 3.920 20 0 CHADMN CCCC[C@H](CC)CCN[C@H](C)c1csnn1 ZINC000414544351 1129142145 /nfs/dbraw/zinc/14/21/45/1129142145.db2.gz CPPIAGWKCZQDAZ-NEPJUHHUSA-N 0 1 255.431 3.795 20 0 CHADMN Cc1cnc([C@@H](C)N[C@@H](c2ccccc2)C2CC2)cn1 ZINC000428327309 1123749180 /nfs/dbraw/zinc/74/91/80/1123749180.db2.gz SJZHRRZRJQFARF-DYVFJYSZSA-N 0 1 267.376 3.587 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCCn3ccnc32)c(C)s1 ZINC000655698338 1123751110 /nfs/dbraw/zinc/75/11/10/1123751110.db2.gz UXEIUZUAHDGDSI-SMDDNHRTSA-N 0 1 275.421 3.747 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cnc3ccccn23)cc1 ZINC000158346021 1129143325 /nfs/dbraw/zinc/14/33/25/1129143325.db2.gz POJLVNNJHYBXRE-CQSZACIVSA-N 0 1 295.386 3.536 20 0 CHADMN Cc1nc(CCN2Cc3ccccc3[C@@H]2C)cs1 ZINC000336379772 1123766867 /nfs/dbraw/zinc/76/68/67/1123766867.db2.gz ANFDELLPLOGPRX-NSHDSACASA-N 0 1 258.390 3.571 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1CCCCCCC1 ZINC000007486847 1123774524 /nfs/dbraw/zinc/77/45/24/1123774524.db2.gz SXDDPJDTELULNL-UHFFFAOYSA-N 0 1 294.826 3.853 20 0 CHADMN Cc1cc(C(=O)CN(C)[C@@H](C)C(C)C)c(C)n1C1CC1 ZINC000444249340 1123774597 /nfs/dbraw/zinc/77/45/97/1123774597.db2.gz PZPQCAYRTGZBJL-ZDUSSCGKSA-N 0 1 276.424 3.599 20 0 CHADMN FC1(CN2CC3(CC=CC3)[C@H]2c2ccccc2)CC1 ZINC000648074743 1123777076 /nfs/dbraw/zinc/77/70/76/1123777076.db2.gz KFIAOQGFVFSRNI-OAHLLOKOSA-N 0 1 257.352 3.882 20 0 CHADMN CC(C)Oc1ccc([C@H](C)N[C@H](C)c2ccncn2)cc1 ZINC000395786378 1123777924 /nfs/dbraw/zinc/77/79/24/1123777924.db2.gz HYPVETQPZGRISQ-UONOGXRCSA-N 0 1 285.391 3.676 20 0 CHADMN Cc1cc(C(=O)CN(C)[C@@H](C)C2(C)CC2)c(C)n1C1CC1 ZINC000444282455 1123777948 /nfs/dbraw/zinc/77/79/48/1123777948.db2.gz OCWBIFQHIXWLEX-AWEZNQCLSA-N 0 1 288.435 3.743 20 0 CHADMN CCCCN(C)Cc1ccc(F)cc1Br ZINC000042229619 1123783940 /nfs/dbraw/zinc/78/39/40/1123783940.db2.gz QLKSNDDWSBWKJJ-UHFFFAOYSA-N 0 1 274.177 3.820 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1ccc(F)cc1Br ZINC000042237995 1123784172 /nfs/dbraw/zinc/78/41/72/1123784172.db2.gz YTPAMNKWYDZQJE-VIFPVBQESA-N 0 1 286.188 3.819 20 0 CHADMN CCCCCCN(C)Cc1nc(-c2ccsc2)no1 ZINC000118605135 1123787258 /nfs/dbraw/zinc/78/72/58/1123787258.db2.gz GSTJDWTXCCZYIT-UHFFFAOYSA-N 0 1 279.409 3.810 20 0 CHADMN C[C@H](N[C@@H](C)c1ccncn1)c1ccc2c(c1)CCCC2 ZINC000395878993 1123787507 /nfs/dbraw/zinc/78/75/07/1123787507.db2.gz GQWCCAQHKXEYHG-KBPBESRZSA-N 0 1 281.403 3.767 20 0 CHADMN Cc1c(F)nccc1CN(C)[C@H](C)c1ccc(F)cc1 ZINC000862216672 1123792665 /nfs/dbraw/zinc/79/26/65/1123792665.db2.gz JNSCQWFIOVXDTR-GFCCVEGCSA-N 0 1 276.330 3.861 20 0 CHADMN C[C@@H]1C[C@@H](NCc2csc(C(F)(F)F)n2)CCS1 ZINC000896953140 1123792764 /nfs/dbraw/zinc/79/27/64/1123792764.db2.gz VOKAEKSXZVVTEO-SFYZADRCSA-N 0 1 296.383 3.536 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1ccnc(F)c1C ZINC000862219583 1123792863 /nfs/dbraw/zinc/79/28/63/1123792863.db2.gz MXPLJEWTVAYQFO-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1ccc(C)c(C)n1 ZINC000840782380 1123796731 /nfs/dbraw/zinc/79/67/31/1123796731.db2.gz BHYOTKWJFZESDL-GOSISDBHSA-N 0 1 266.388 3.784 20 0 CHADMN CCC[C@H](NCc1ccnc(F)c1C)c1ccccn1 ZINC000862278033 1123797425 /nfs/dbraw/zinc/79/74/25/1123797425.db2.gz QJDRHQNTUKLQFE-AWEZNQCLSA-N 0 1 273.355 3.555 20 0 CHADMN CCOc1cc(C)ccc1CNCc1ccnc(F)c1C ZINC000862285960 1123798323 /nfs/dbraw/zinc/79/83/23/1123798323.db2.gz ZIOPEDXYSUXBAO-UHFFFAOYSA-N 0 1 288.366 3.526 20 0 CHADMN Cc1cc(F)ccc1CN(C)Cc1ccnc(F)c1C ZINC000862344669 1123800899 /nfs/dbraw/zinc/80/08/99/1123800899.db2.gz FOZKGHSSMTUUGG-UHFFFAOYSA-N 0 1 276.330 3.609 20 0 CHADMN c1cn2c(n1)[C@H](N[C@@H](c1ccccc1)C1CCC1)CCC2 ZINC000655708354 1123803231 /nfs/dbraw/zinc/80/32/31/1123803231.db2.gz HUSOFBZSVHEKPI-SJORKVTESA-N 0 1 281.403 3.849 20 0 CHADMN CCC1(c2ccccc2)CN(Cc2ccnc(F)c2C)C1 ZINC000862393451 1123805389 /nfs/dbraw/zinc/80/53/89/1123805389.db2.gz SEEROKVWQZFCCA-UHFFFAOYSA-N 0 1 284.378 3.693 20 0 CHADMN CC(C)[C@@H]1N(Cc2ccnc(F)c2)CC12CCCC2 ZINC000862391489 1123805586 /nfs/dbraw/zinc/80/55/86/1123805586.db2.gz LPBHJMLWJIQGAE-HNNXBMFYSA-N 0 1 262.372 3.621 20 0 CHADMN CC(C)[C@H]1N(Cc2ccnc(F)c2)CC12CCCC2 ZINC000862391490 1123805722 /nfs/dbraw/zinc/80/57/22/1123805722.db2.gz LPBHJMLWJIQGAE-OAHLLOKOSA-N 0 1 262.372 3.621 20 0 CHADMN Cc1ccc(CN(C)Cc2ccnc(F)c2C)cc1C ZINC000862391634 1123805939 /nfs/dbraw/zinc/80/59/39/1123805939.db2.gz OPGVWCYRQVETHN-UHFFFAOYSA-N 0 1 272.367 3.778 20 0 CHADMN CC[C@H]1CCCC[C@@H]1C[NH2+]C(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000862432482 1123809134 /nfs/dbraw/zinc/80/91/34/1123809134.db2.gz FNYVUJUVJGIPMG-UONOGXRCSA-N 0 1 291.439 3.532 20 0 CHADMN COCCC1CCN(Cc2cnc(C(C)C)s2)CC1 ZINC000862436277 1123810436 /nfs/dbraw/zinc/81/04/36/1123810436.db2.gz BYDAFNUCDSLGNM-UHFFFAOYSA-N 0 1 282.453 3.515 20 0 CHADMN CC(C)(C)[C@H]1CN(Cc2ccc(C(F)F)cc2)CCO1 ZINC000475192089 1123816962 /nfs/dbraw/zinc/81/69/62/1123816962.db2.gz QEVUQJFOMWAKAY-CQSZACIVSA-N 0 1 283.362 3.871 20 0 CHADMN C[C@@H]1CCCC[N@H+]1Cc1sccc1Br ZINC000043501870 1123819079 /nfs/dbraw/zinc/81/90/79/1123819079.db2.gz UMSAJSHJXNMRDN-SECBINFHSA-N 0 1 274.227 3.885 20 0 CHADMN C[C@@H]1CCCCN1Cc1sccc1Br ZINC000043501870 1123819083 /nfs/dbraw/zinc/81/90/83/1123819083.db2.gz UMSAJSHJXNMRDN-SECBINFHSA-N 0 1 274.227 3.885 20 0 CHADMN Fc1cccc(F)c1C1(NC[C@@H]2CCC=CO2)CCC1 ZINC000862549661 1123819732 /nfs/dbraw/zinc/81/97/32/1123819732.db2.gz FSJSXXOAIKGVQQ-LBPRGKRZSA-N 0 1 279.330 3.626 20 0 CHADMN CC[C@@H](C)CN(C)Cc1sccc1Br ZINC000043677698 1123830182 /nfs/dbraw/zinc/83/01/82/1123830182.db2.gz LHBSKXYRMKZAAI-SECBINFHSA-N 0 1 276.243 3.989 20 0 CHADMN Cc1cc(CN2CC[C@H](C(F)(F)F)[C@H]2C)ccc1F ZINC000475279998 1123833112 /nfs/dbraw/zinc/83/31/12/1123833112.db2.gz LXSDJOSBCPVBNZ-PWSUYJOCSA-N 0 1 275.289 3.907 20 0 CHADMN C/C(=C/c1ccccc1)CN1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000475287160 1123835417 /nfs/dbraw/zinc/83/54/17/1123835417.db2.gz UCXAEYOWWZXVFE-IWJGPTOESA-N 0 1 271.404 3.589 20 0 CHADMN CCC[C@@](C)(CC)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000475310369 1123838187 /nfs/dbraw/zinc/83/81/87/1123838187.db2.gz ORBCBOASDBXCBE-OAHLLOKOSA-N 0 1 259.353 3.718 20 0 CHADMN C[C@@H]1CC[C@@H](CN2CC=C(c3ccccc3Cl)CC2)O1 ZINC000475310753 1123839119 /nfs/dbraw/zinc/83/91/19/1123839119.db2.gz DUNQMOGPRWRBIZ-HIFRSBDPSA-N 0 1 291.822 3.997 20 0 CHADMN CC[C@@H](NC(=O)C(C)=CC1CCC(C)CC1)c1ncc[nH]1 ZINC000867456891 1123866876 /nfs/dbraw/zinc/86/68/76/1123866876.db2.gz BTDPIMJHNQHWPF-NSTBJRQSSA-N 0 1 289.423 3.750 20 0 CHADMN CCn1cncc1CN1CCC[C@H]1/C=C\c1ccccc1 ZINC000417994326 1123869339 /nfs/dbraw/zinc/86/93/39/1123869339.db2.gz YPHVYHKXYPAHJV-MQNTZWLQSA-N 0 1 281.403 3.581 20 0 CHADMN Cc1cc(CN[C@H]2CCCOc3ccccc32)c(C)o1 ZINC000119478730 1123870269 /nfs/dbraw/zinc/87/02/69/1123870269.db2.gz NUNDTFRPUKOQIY-INIZCTEOSA-N 0 1 271.360 3.900 20 0 CHADMN CC(C)Oc1ncccc1CNCc1ccc2cc[nH]c2c1 ZINC000389628624 1123870329 /nfs/dbraw/zinc/87/03/29/1123870329.db2.gz TVYMVIQCBMSXQL-UHFFFAOYSA-N 0 1 295.386 3.640 20 0 CHADMN CC[C@@H](C)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000248373671 1123880939 /nfs/dbraw/zinc/88/09/39/1123880939.db2.gz KNUCRNYEAOKBEJ-BXUZGUMPSA-N 0 1 287.325 3.877 20 0 CHADMN Fc1cccc2c1CCC[C@@H]2NCc1ccncc1F ZINC000335364389 1123889517 /nfs/dbraw/zinc/88/95/17/1123889517.db2.gz WUCVQRZDBWZHKI-INIZCTEOSA-N 0 1 274.314 3.527 20 0 CHADMN C[C@]1(CNc2ccnc3cc(F)ccc32)CCCC[C@H]1O ZINC000301474325 1123902941 /nfs/dbraw/zinc/90/29/41/1123902941.db2.gz AAHXGBXFEINMRA-IAGOWNOFSA-N 0 1 288.366 3.727 20 0 CHADMN CCc1ccc(NC(=O)c2c(C)n[nH]c2C(C)C)cc1 ZINC000159055864 1129157918 /nfs/dbraw/zinc/15/79/18/1129157918.db2.gz DPKSJDICBVMDOX-UHFFFAOYSA-N 0 1 271.364 3.656 20 0 CHADMN CCc1[nH]nc(Cl)c1CN1CC2(CC=CC2)[C@@H]1C(C)C ZINC000864050428 1123914138 /nfs/dbraw/zinc/91/41/38/1123914138.db2.gz HJOFEFSYYSCZLD-AWEZNQCLSA-N 0 1 293.842 3.802 20 0 CHADMN FC(F)(F)c1cnccc1NCC[C@@H]1CC1(Cl)Cl ZINC000864093009 1123916870 /nfs/dbraw/zinc/91/68/70/1123916870.db2.gz CRJKJQVHWKRGHU-SSDOTTSWSA-N 0 1 299.123 3.518 20 0 CHADMN CCS[C@H]1CCC[C@H]1NCc1ncc(C(C)C)o1 ZINC000794606078 1123921944 /nfs/dbraw/zinc/92/19/44/1123921944.db2.gz SMXUDDLGTQLHEG-YPMHNXCESA-N 0 1 268.426 3.562 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C(C)=C2CCCC2)c1 ZINC000794611273 1123922583 /nfs/dbraw/zinc/92/25/83/1123922583.db2.gz XTMCRCPDGKQXIQ-UHFFFAOYSA-N 0 1 287.359 3.814 20 0 CHADMN CSCCCNc1cc(C)nc2ccc(F)cc21 ZINC000301685674 1123924038 /nfs/dbraw/zinc/92/40/38/1123924038.db2.gz UJDVBZONSTVVIR-UHFFFAOYSA-N 0 1 264.369 3.847 20 0 CHADMN Clc1cncc(CN2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000621262053 1129154296 /nfs/dbraw/zinc/15/42/96/1129154296.db2.gz MPUHRTXKXQYLQC-ZIAGYGMSSA-N 0 1 282.840 3.595 20 0 CHADMN CCC[C@H]1CN(c2cc(C)nc3ccc(F)cc32)CCO1 ZINC000301847019 1123937297 /nfs/dbraw/zinc/93/72/97/1123937297.db2.gz UOQRVJPWGLZEAZ-AWEZNQCLSA-N 0 1 288.366 3.688 20 0 CHADMN C[C@]1(c2ccccc2)CCN(Cc2cncc(Cl)c2)C1 ZINC000621262325 1129155015 /nfs/dbraw/zinc/15/50/15/1129155015.db2.gz WXLINHQJKRMWPU-KRWDZBQOSA-N 0 1 286.806 3.899 20 0 CHADMN Cc1nccc(N2CC[C@@H](Cc3nccs3)C2)c1Cl ZINC000897282840 1123954002 /nfs/dbraw/zinc/95/40/02/1123954002.db2.gz WDWYECDADUUXFE-NSHDSACASA-N 0 1 293.823 3.569 20 0 CHADMN CC(C)Oc1ccccc1CNCc1ccc(O)c(F)c1 ZINC000120464193 1123965586 /nfs/dbraw/zinc/96/55/86/1123965586.db2.gz NZWZIKMHESCEDS-UHFFFAOYSA-N 0 1 289.350 3.608 20 0 CHADMN Cc1ccc(C)c([C@@H](C)NCc2cccnc2F)c1 ZINC000794832872 1123967216 /nfs/dbraw/zinc/96/72/16/1123967216.db2.gz DPVPWGWTMGMEGP-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN CC[C@H](NCc1cccnc1F)c1cccc(F)c1 ZINC000794832796 1123967261 /nfs/dbraw/zinc/96/72/61/1123967261.db2.gz DKFQFXZATNAPOW-AWEZNQCLSA-N 0 1 262.303 3.601 20 0 CHADMN COc1cc(C)c([C@H](C)NCc2cccnc2F)cc1C ZINC000794836165 1123972227 /nfs/dbraw/zinc/97/22/27/1123972227.db2.gz NSPYSQNHKPPGBQ-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN CCn1ccc(CN(C)c2ccnc3cc(F)ccc32)c1 ZINC000302735697 1123980951 /nfs/dbraw/zinc/98/09/51/1123980951.db2.gz WLYLEUHNUJFUAS-UHFFFAOYSA-N 0 1 283.350 3.832 20 0 CHADMN O=c1[nH]ccc2oc(CN[C@H](c3ccccc3)C3CC3)cc21 ZINC000865406341 1123980984 /nfs/dbraw/zinc/98/09/84/1123980984.db2.gz QGXVYQSNJZRHHQ-QGZVFWFLSA-N 0 1 294.354 3.774 20 0 CHADMN CCOc1cc(F)cc(CNCc2cccc(OC)c2)c1 ZINC000865403231 1123981230 /nfs/dbraw/zinc/98/12/30/1123981230.db2.gz AVNYCACDUBLOAF-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN Cc1ccc([C@H](C)NCc2cc3c(cc[nH]c3=O)o2)s1 ZINC000865429555 1123983293 /nfs/dbraw/zinc/98/32/93/1123983293.db2.gz YHHFQCKCJFFYCA-JTQLQIEISA-N 0 1 288.372 3.754 20 0 CHADMN Cc1ccnc(NCCc2ccccc2OC(F)F)c1 ZINC000302785236 1123984084 /nfs/dbraw/zinc/98/40/84/1123984084.db2.gz VDQBKVRFVQDMBQ-UHFFFAOYSA-N 0 1 278.302 3.646 20 0 CHADMN C[C@@H](NCc1cccnc1F)c1ccc(OC(F)F)cc1 ZINC000794837018 1123984222 /nfs/dbraw/zinc/98/42/22/1123984222.db2.gz WAXPFYBWCAKMRE-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cccnc2F)cc1 ZINC000794838001 1123984917 /nfs/dbraw/zinc/98/49/17/1123984917.db2.gz WRWLMMCTTMGWTK-GFCCVEGCSA-N 0 1 258.340 3.634 20 0 CHADMN Cc1cccc2c1CC[C@H]2NCc1cnc(Cl)c(F)c1 ZINC000865452408 1123985937 /nfs/dbraw/zinc/98/59/37/1123985937.db2.gz HKJINXZTEDBHKS-OAHLLOKOSA-N 0 1 290.769 3.960 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2cn(C3CC3)cn2)c1 ZINC000865455815 1123985960 /nfs/dbraw/zinc/98/59/60/1123985960.db2.gz BWEYSSXNVOQGDG-CQSZACIVSA-N 0 1 269.392 3.686 20 0 CHADMN Cc1cccc2c1CC[C@@H]2NCc1cc2c(cc[nH]c2=O)o1 ZINC000865452051 1123986564 /nfs/dbraw/zinc/98/65/64/1123986564.db2.gz BUEXNSUHZWSXSE-INIZCTEOSA-N 0 1 294.354 3.619 20 0 CHADMN CC(C)(C)c1csc(CNCCNc2ccccc2)n1 ZINC000865486264 1123987997 /nfs/dbraw/zinc/98/79/97/1123987997.db2.gz OEIXRQSXEWQLKW-UHFFFAOYSA-N 0 1 289.448 3.642 20 0 CHADMN CCC1(NCc2nccc(C)c2Br)CCC1 ZINC000865481699 1123988671 /nfs/dbraw/zinc/98/86/71/1123988671.db2.gz UKSJZKJZWDUXJE-UHFFFAOYSA-N 0 1 283.213 3.575 20 0 CHADMN c1nc(CN[C@H](CC2CC2)c2ccccc2)cn1C1CC1 ZINC000865476559 1123988862 /nfs/dbraw/zinc/98/88/62/1123988862.db2.gz NNPJQVDSQOBFDV-GOSISDBHSA-N 0 1 281.403 3.849 20 0 CHADMN C[C@H]1CCc2ccccc2[C@@H]1NCc1cn(C2CC2)cn1 ZINC000865513536 1123991084 /nfs/dbraw/zinc/99/10/84/1123991084.db2.gz IPXDYBLTILRDJK-SCLBCKFNSA-N 0 1 281.403 3.631 20 0 CHADMN Cc1ccnc(CN[C@H]2CC23CCCC3)c1Br ZINC000865543394 1123993266 /nfs/dbraw/zinc/99/32/66/1123993266.db2.gz LIEKLFBLWQEWAR-LBPRGKRZSA-N 0 1 295.224 3.575 20 0 CHADMN C[C@H](CCC(F)(F)F)[NH2+]CCc1c(F)cc([O-])cc1F ZINC000897304964 1123995493 /nfs/dbraw/zinc/99/54/93/1123995493.db2.gz MKARCDOYOHXQSP-MRVPVSSYSA-N 0 1 297.267 3.534 20 0 CHADMN COC(=O)C(C)(C)N(C)CCCc1cccc2ccccc21 ZINC000609894909 1123996826 /nfs/dbraw/zinc/99/68/26/1123996826.db2.gz MBRHOBOSNGXNQF-UHFFFAOYSA-N 0 1 299.414 3.656 20 0 CHADMN CC1(C)[C@@H](CNCc2c(Cl)cncc2Cl)C1(F)F ZINC000865630487 1124000873 /nfs/dbraw/zinc/00/08/73/1124000873.db2.gz CDSGEBVRVBDWNB-SNVBAGLBSA-N 0 1 295.160 3.769 20 0 CHADMN Cc1scc(CN[C@H](C)c2ccns2)c1C ZINC000865644547 1124001630 /nfs/dbraw/zinc/00/16/30/1124001630.db2.gz DUVZEOKLMAJKJS-SECBINFHSA-N 0 1 252.408 3.672 20 0 CHADMN CN(Cc1cncc(Cl)c1)C1CC(OC(C)(C)C)C1 ZINC000621303139 1129163522 /nfs/dbraw/zinc/16/35/22/1129163522.db2.gz YNKFSWBWWNWGHO-UHFFFAOYSA-N 0 1 282.815 3.513 20 0 CHADMN Cc1scc(CNCc2cc3c(cc[nH]c3=O)o2)c1C ZINC000865679832 1124005183 /nfs/dbraw/zinc/00/51/83/1124005183.db2.gz HTFIPWPMWKGVGV-UHFFFAOYSA-N 0 1 288.372 3.502 20 0 CHADMN CCOc1cncc(CN[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000621326151 1129163525 /nfs/dbraw/zinc/16/35/25/1129163525.db2.gz ZOKVWQSPVKRPNI-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN[C@@H]1CCCC[C@@H]1F ZINC000865699435 1124005947 /nfs/dbraw/zinc/00/59/47/1124005947.db2.gz QLFAWKSRLOHDBV-LSDHHAIUSA-N 0 1 281.419 3.625 20 0 CHADMN F[C@@H]1CCCC[C@@H]1NCc1cnc(-c2ccco2)s1 ZINC000865699088 1124006279 /nfs/dbraw/zinc/00/62/79/1124006279.db2.gz LURNQRPTCQAPBG-NEPJUHHUSA-N 0 1 280.368 3.773 20 0 CHADMN CO[C@@]1(C)CCCN(Cc2ccc(Cl)cc2F)CC1 ZINC000475546608 1124007309 /nfs/dbraw/zinc/00/73/09/1124007309.db2.gz HAJVUSNRUSSEPY-HNNXBMFYSA-N 0 1 285.790 3.870 20 0 CHADMN CS[C@H]1C[C@H](NCc2csc(-c3cccs3)n2)C1 ZINC000865733965 1124008471 /nfs/dbraw/zinc/00/84/71/1124008471.db2.gz CPLLGPSTGABPRV-HOMQSWHASA-N 0 1 296.486 3.855 20 0 CHADMN CN(Cc1ccsc1Br)C1CCCC1 ZINC000307613727 1124011830 /nfs/dbraw/zinc/01/18/30/1124011830.db2.gz MFULMHVXNXERIW-UHFFFAOYSA-N 0 1 274.227 3.885 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H]3CCCC4(CC4)C3)cc2[nH]1 ZINC000665796144 1124014287 /nfs/dbraw/zinc/01/42/87/1124014287.db2.gz NUAOZCSIXNKYLX-GFCCVEGCSA-N 0 1 283.375 3.780 20 0 CHADMN FC(F)(F)c1cnccc1N1CCCc2occc2C1 ZINC000865813154 1124016510 /nfs/dbraw/zinc/01/65/10/1124016510.db2.gz HRIAKQOFBNVJDC-UHFFFAOYSA-N 0 1 282.265 3.646 20 0 CHADMN Cc1cc2cc(CN[C@H](C)c3ccnn3C)oc2cc1C ZINC000865839646 1124020657 /nfs/dbraw/zinc/02/06/57/1124020657.db2.gz ZEGIAEAMCRPCRZ-CYBMUJFWSA-N 0 1 283.375 3.634 20 0 CHADMN COc1cccc2c1CN(c1ccncc1C(F)(F)F)C2 ZINC000865972659 1124026823 /nfs/dbraw/zinc/02/68/23/1124026823.db2.gz MREANHYHNDAHMQ-UHFFFAOYSA-N 0 1 294.276 3.629 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)[C@H]3C[C@@H]3C3CC3)cc2[nH]1 ZINC000475594386 1124029977 /nfs/dbraw/zinc/02/99/77/1124029977.db2.gz ZFJQYFZJJUTHIE-OLZOCXBDSA-N 0 1 297.402 3.845 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)[C@@H]3C[C@H]3C3CC3)cc2[nH]1 ZINC000475594387 1124030072 /nfs/dbraw/zinc/03/00/72/1124030072.db2.gz ZFJQYFZJJUTHIE-QWHCGFSZSA-N 0 1 297.402 3.845 20 0 CHADMN CSCC1CCC(N[C@@H](C)C(C)(F)F)CC1 ZINC000389493587 1124034545 /nfs/dbraw/zinc/03/45/45/1124034545.db2.gz VSZAYXXDMZIAME-WHXUTIOJSA-N 0 1 251.386 3.542 20 0 CHADMN FC(F)COc1ccccc1CNCc1cccs1 ZINC000885898354 1124035684 /nfs/dbraw/zinc/03/56/84/1124035684.db2.gz DZRBJUSGQUHOJX-UHFFFAOYSA-N 0 1 283.343 3.682 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1nncn1-c1ccccc1)C1CC1 ZINC000444607731 1124045464 /nfs/dbraw/zinc/04/54/64/1124045464.db2.gz JHGVJQDHFPLOOB-LSDHHAIUSA-N 0 1 298.434 3.666 20 0 CHADMN CCN(Cc1nc(C2CCCCC2)cs1)CC(C)(C)O ZINC000444653610 1124048576 /nfs/dbraw/zinc/04/85/76/1124048576.db2.gz VEMQEXZOPNYMJY-UHFFFAOYSA-N 0 1 296.480 3.784 20 0 CHADMN c1cc(-c2ccc(CN3CCc4n[nH]cc4C3)cc2)cs1 ZINC000444662917 1124049660 /nfs/dbraw/zinc/04/96/60/1124049660.db2.gz JQUGUKDJSOCGBU-UHFFFAOYSA-N 0 1 295.411 3.697 20 0 CHADMN C[C@@H](NCc1ccc(-c2cccs2)cc1)c1cn[nH]c1 ZINC000444678330 1124052420 /nfs/dbraw/zinc/05/24/20/1124052420.db2.gz WERNODMWBVAUKS-GFCCVEGCSA-N 0 1 283.400 3.989 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1CCCc2c(F)cccc21 ZINC000866364920 1124057255 /nfs/dbraw/zinc/05/72/55/1124057255.db2.gz SQZUOLVBNOMXGL-QGZVFWFLSA-N 0 1 288.366 3.852 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H]2c3cc(F)ccc3CC[C@H]2C)c2nccn21 ZINC000866367765 1124058195 /nfs/dbraw/zinc/05/81/95/1124058195.db2.gz OPXIHFKFIYHNBX-YLGOIMDESA-N 0 1 299.393 3.941 20 0 CHADMN Cc1ncc(CN[C@H]2CCc3cccc4cccc2c43)o1 ZINC000866371863 1124059030 /nfs/dbraw/zinc/05/90/30/1124059030.db2.gz MELSLQRVWLVXCR-KRWDZBQOSA-N 0 1 278.355 3.913 20 0 CHADMN CC(C)[C@@H]1CCCN([C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000444746095 1124059080 /nfs/dbraw/zinc/05/90/80/1124059080.db2.gz CHXGSLLTXIKGDH-HZPDHXFCSA-N 0 1 298.434 3.696 20 0 CHADMN Cc1ncc(CN[C@@H]2CCc3cccc4cccc2c43)o1 ZINC000866371865 1124059279 /nfs/dbraw/zinc/05/92/79/1124059279.db2.gz MELSLQRVWLVXCR-QGZVFWFLSA-N 0 1 278.355 3.913 20 0 CHADMN COc1c(C)cccc1CN[C@H](c1ccccn1)C(C)C ZINC000866385694 1124060342 /nfs/dbraw/zinc/06/03/42/1124060342.db2.gz YOFSKZFSMMJLOB-KRWDZBQOSA-N 0 1 284.403 3.886 20 0 CHADMN CC(C)[C@H]1CCCN([C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000444768677 1124061287 /nfs/dbraw/zinc/06/12/87/1124061287.db2.gz FRUFNOZYECEOLP-OLZOCXBDSA-N 0 1 279.428 3.796 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1cnn2ccccc12 ZINC000353930792 1124061648 /nfs/dbraw/zinc/06/16/48/1124061648.db2.gz SNARCTIDZVIQFC-CQSZACIVSA-N 0 1 295.386 3.584 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN2CCC[C@@H](C(C)C)C2)c1 ZINC000444774079 1124063069 /nfs/dbraw/zinc/06/30/69/1124063069.db2.gz UTMWEPACSLOZGX-MRXNPFEDSA-N 0 1 288.435 3.610 20 0 CHADMN CC=CC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000137917998 1124064166 /nfs/dbraw/zinc/06/41/66/1124064166.db2.gz TUQFFVZYGVRZIV-FARCUNLSSA-N 0 1 277.327 3.745 20 0 CHADMN CC(C)(C)c1csc(CN2CCCC23CCC3)n1 ZINC000444785883 1124065302 /nfs/dbraw/zinc/06/53/02/1124065302.db2.gz ZTWLJGLITSFLPC-UHFFFAOYSA-N 0 1 264.438 3.959 20 0 CHADMN Cn1cccc1C(=O)CN(Cc1ccccc1)CC1CCC1 ZINC000195652202 1124066707 /nfs/dbraw/zinc/06/67/07/1124066707.db2.gz XSMGRHPSPAYHJB-UHFFFAOYSA-N 0 1 296.414 3.510 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C)[nH]n2)o1 ZINC000195601182 1124066950 /nfs/dbraw/zinc/06/69/50/1124066950.db2.gz UKNUBJDFWYWUFS-UHFFFAOYSA-N 0 1 295.342 3.847 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2CCc3nc(Cl)ccc32)s1 ZINC000866456317 1124067864 /nfs/dbraw/zinc/06/78/64/1124067864.db2.gz XZYJHULRLFOLRU-GZMMTYOYSA-N 0 1 293.823 3.838 20 0 CHADMN CC[C@H](NCc1nccnc1C)c1ccc(Cl)s1 ZINC000621335775 1129164213 /nfs/dbraw/zinc/16/42/13/1129164213.db2.gz YUSRSLAIOIPRDC-JTQLQIEISA-N 0 1 281.812 3.741 20 0 CHADMN Cc1ccc(C)c([C@H]2CCCN2Cc2n[nH]c(C(C)C)n2)c1 ZINC000428387887 1124072605 /nfs/dbraw/zinc/07/26/05/1124072605.db2.gz ZDKNJNNHNCXOBU-MRXNPFEDSA-N 0 1 298.434 3.882 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@@H](OCC3CC3)C2)o1 ZINC000428385989 1124073001 /nfs/dbraw/zinc/07/30/01/1124073001.db2.gz CJPIAWAZNMYKKO-UNEWFSDZSA-N 0 1 289.419 3.794 20 0 CHADMN CCc1ccc(NC(=O)c2cn[nH]c2C(C)C)cc1CC ZINC000445135660 1124074842 /nfs/dbraw/zinc/07/48/42/1124074842.db2.gz NTTPJDCLFZXYBW-UHFFFAOYSA-N 0 1 285.391 3.910 20 0 CHADMN Cc1cc(CNC2(c3ccccc3)CCCCC2)ncn1 ZINC000428394803 1124075342 /nfs/dbraw/zinc/07/53/42/1124075342.db2.gz WXYCUUJGSHPBDF-UHFFFAOYSA-N 0 1 281.403 3.734 20 0 CHADMN COc1ccc(F)c(CNCc2ccc(F)cc2C)c1 ZINC000621375053 1129168398 /nfs/dbraw/zinc/16/83/98/1129168398.db2.gz LYCHYDWNVIDCGB-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN COCCC[C@@H](NCc1ccc(C)o1)c1ccc(F)cc1 ZINC000631729364 1124079835 /nfs/dbraw/zinc/07/98/35/1124079835.db2.gz DBNMAKHONKZPLR-QGZVFWFLSA-N 0 1 291.366 3.985 20 0 CHADMN CCOc1cncc(CNC(C)(C)c2cccc(F)c2)c1 ZINC000621336889 1129165292 /nfs/dbraw/zinc/16/52/92/1129165292.db2.gz CDISXGLBOBQEHS-UHFFFAOYSA-N 0 1 288.366 3.644 20 0 CHADMN COCCN(C/C(C)=C\c1ccccc1)Cc1ccco1 ZINC000508532866 1124087900 /nfs/dbraw/zinc/08/79/00/1124087900.db2.gz WDGWOQAKSSBVDX-SSZFMOIBSA-N 0 1 285.387 3.832 20 0 CHADMN CSc1ccc([C@H](C)N[C@@H](C)c2ccnn2C)cc1F ZINC000866612717 1124088136 /nfs/dbraw/zinc/08/81/36/1124088136.db2.gz MPHCLJBHZQXQQG-QWRGUYRKSA-N 0 1 293.411 3.693 20 0 CHADMN CCSc1ccccc1[C@@H](C)N[C@@H](C)c1ccnn1C ZINC000866612008 1124088608 /nfs/dbraw/zinc/08/86/08/1124088608.db2.gz AATTXMOOBASEEU-OLZOCXBDSA-N 0 1 289.448 3.944 20 0 CHADMN Cc1csc([C@@H](C)NC2([C@@H]3CCCCO3)CCC2)n1 ZINC000866622748 1124091195 /nfs/dbraw/zinc/09/11/95/1124091195.db2.gz ICZOMIBPZIKFLD-OLZOCXBDSA-N 0 1 280.437 3.594 20 0 CHADMN Cc1cscc1-c1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000445624105 1124094498 /nfs/dbraw/zinc/09/44/98/1124094498.db2.gz LKDXSLCIKNZFGR-UHFFFAOYSA-N 0 1 298.327 3.757 20 0 CHADMN CCc1nc(C)c([C@H](C)N[C@@H]2C[C@H]2C(F)(F)F)s1 ZINC000631755014 1124095001 /nfs/dbraw/zinc/09/50/01/1124095001.db2.gz WMCHYAUSKPXDNZ-NBEYISGCSA-N 0 1 278.343 3.615 20 0 CHADMN CC[C@H](C(=O)NOCc1ccccc1)c1ccc(F)cc1 ZINC000121651450 1124098662 /nfs/dbraw/zinc/09/86/62/1124098662.db2.gz IWEFDALFWINLGK-INIZCTEOSA-N 0 1 287.334 3.567 20 0 CHADMN CCSCCCc1noc([C@H](C)N2[C@H](C)CC[C@H]2C)n1 ZINC000445748740 1124098876 /nfs/dbraw/zinc/09/88/76/1124098876.db2.gz LVFCZZPVISPIHE-UPJWGTAASA-N 0 1 297.468 3.689 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC[C@]3(CCCOC3)C2)c1 ZINC000445807665 1124101909 /nfs/dbraw/zinc/10/19/09/1124101909.db2.gz LNNJRMPAPZKRNM-INIZCTEOSA-N 0 1 297.801 3.872 20 0 CHADMN CCc1ccccc1CN1CCO[C@H](c2cccs2)C1 ZINC000445805408 1124102033 /nfs/dbraw/zinc/10/20/33/1124102033.db2.gz KDMQBPXZWNKNJM-INIZCTEOSA-N 0 1 287.428 3.884 20 0 CHADMN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1cnoc1C ZINC000445814157 1124102063 /nfs/dbraw/zinc/10/20/63/1124102063.db2.gz SADWAYBFXBTILK-BONVTDFDSA-N 0 1 294.782 3.502 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000086784388 1129166323 /nfs/dbraw/zinc/16/63/23/1129166323.db2.gz CVHIOYAKOLMVGM-DOTOQJQBSA-N 0 1 293.382 3.854 20 0 CHADMN Cc1cnc(C[N@H+]2CCCC3(CCCC3)C2)s1 ZINC000445851225 1124105013 /nfs/dbraw/zinc/10/50/13/1124105013.db2.gz BJWPZKITVQAUNE-UHFFFAOYSA-N 0 1 250.411 3.608 20 0 CHADMN Cc1cnc(CN2CCCC3(CCCC3)C2)s1 ZINC000445851225 1124105016 /nfs/dbraw/zinc/10/50/16/1124105016.db2.gz BJWPZKITVQAUNE-UHFFFAOYSA-N 0 1 250.411 3.608 20 0 CHADMN Cc1cccc([C@@H](C)N2CCc3ncsc3C2)c1 ZINC000445876566 1124105949 /nfs/dbraw/zinc/10/59/49/1124105949.db2.gz XGQNEUVBQQFIEE-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@H](c3ccc(C)cc3)C2)s1 ZINC000367273535 1124107970 /nfs/dbraw/zinc/10/79/70/1124107970.db2.gz DTJKRVDWYQCKML-DOMZBBRYSA-N 0 1 287.432 3.705 20 0 CHADMN Fc1cccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000446147748 1124109696 /nfs/dbraw/zinc/10/96/96/1124109696.db2.gz WHUHDMXLMVNJIU-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN CC(=CC(C)(C)C)C(=O)NCc1ccccc1-c1ncc[nH]1 ZINC000909633058 1124110304 /nfs/dbraw/zinc/11/03/04/1124110304.db2.gz LRXXNDSWOQCGMG-QBFSEMIESA-N 0 1 297.402 3.685 20 0 CHADMN COCc1ccc(-c2nc3cc(C)c(OC)cc3[nH]2)cc1 ZINC000446158933 1124110449 /nfs/dbraw/zinc/11/04/49/1124110449.db2.gz XSFYBIDEBIRHHR-UHFFFAOYSA-N 0 1 282.343 3.693 20 0 CHADMN COC[C@@H](NCc1ccccc1SC)c1ccccc1 ZINC000358066999 1124110483 /nfs/dbraw/zinc/11/04/83/1124110483.db2.gz VEQHXZHEWBTDOJ-MRXNPFEDSA-N 0 1 287.428 3.886 20 0 CHADMN CCc1cnc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)o1 ZINC000524717638 1124110609 /nfs/dbraw/zinc/11/06/09/1124110609.db2.gz PKDQJWXQJOGKIK-CYBMUJFWSA-N 0 1 290.794 3.880 20 0 CHADMN CCC(CC)CN(CC)Cc1nccn1CC(F)(F)F ZINC000114725650 1124116868 /nfs/dbraw/zinc/11/68/68/1124116868.db2.gz ZQOQQZBCGMEQJW-UHFFFAOYSA-N 0 1 291.361 3.704 20 0 CHADMN CC(C)[C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000446726455 1124120340 /nfs/dbraw/zinc/12/03/40/1124120340.db2.gz OTTPVPRDKWWFOV-QWHCGFSZSA-N 0 1 294.826 3.645 20 0 CHADMN CC[C@@H]1CCN([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000446728576 1124120772 /nfs/dbraw/zinc/12/07/72/1124120772.db2.gz KLDOMIZZFTYPFH-GHMZBOCLSA-N 0 1 277.393 3.591 20 0 CHADMN CN(Cc1cnc(C(F)(F)F)s1)C[C@@H]1CC=CCC1 ZINC000446754890 1124121584 /nfs/dbraw/zinc/12/15/84/1124121584.db2.gz YLHJASTYZBHHKQ-SNVBAGLBSA-N 0 1 290.354 3.950 20 0 CHADMN CC(C)N(Cc1noc(-c2ccccc2)n1)CC1CCC1 ZINC000193205911 1124123775 /nfs/dbraw/zinc/12/37/75/1124123775.db2.gz UZMUMJXYYYMZMD-UHFFFAOYSA-N 0 1 285.391 3.747 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)c1ccncc1)c1ccncc1 ZINC000193200362 1124124790 /nfs/dbraw/zinc/12/47/90/1124124790.db2.gz UTICTDKFOFSHIL-DNVCBOLYSA-N 0 1 289.382 3.917 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2coc(-c3cccs3)n2)C1 ZINC000525408234 1124126900 /nfs/dbraw/zinc/12/69/00/1124126900.db2.gz QIIHNSLLKPGCMY-QWRGUYRKSA-N 0 1 262.378 3.633 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000525407765 1124127074 /nfs/dbraw/zinc/12/70/74/1124127074.db2.gz ISDGKEWQZGMKTJ-GHMZBOCLSA-N 0 1 291.782 3.620 20 0 CHADMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1cc(F)cc(F)c1 ZINC000447081642 1124131937 /nfs/dbraw/zinc/13/19/37/1124131937.db2.gz HUJCXQYNYCTVPO-UHFFFAOYSA-N 0 1 293.361 3.617 20 0 CHADMN CCN(Cc1ccn(C(F)F)n1)[C@@H](C)Cc1ccsc1 ZINC000428469657 1124132909 /nfs/dbraw/zinc/13/29/09/1124132909.db2.gz KXBDRFFPYPRAML-NSHDSACASA-N 0 1 299.390 3.793 20 0 CHADMN COC1(CCN[C@H](C(F)F)C2CCCCC2)CCC1 ZINC000621400745 1129172551 /nfs/dbraw/zinc/17/25/51/1129172551.db2.gz QGWLGCLXVFJNLO-ZDUSSCGKSA-N 0 1 275.383 3.749 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@@H]3OCCC[C@H]3C2)c1Cl ZINC001238776577 1131244630 /nfs/dbraw/zinc/24/46/30/1131244630.db2.gz HWNXSRIDAYYNIZ-WFASDCNBSA-N 0 1 297.801 3.788 20 0 CHADMN Cc1cc(F)cc(CN2CC(C)(C)C[C@@]2(C)CO)c1Cl ZINC001238776080 1131244835 /nfs/dbraw/zinc/24/48/35/1131244835.db2.gz FTVWGZHACRSCFN-INIZCTEOSA-N 0 1 299.817 3.770 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@](C)(O)[C@H](C)C1 ZINC001238781928 1131246505 /nfs/dbraw/zinc/24/65/05/1131246505.db2.gz XFEGUFCXWHJENH-WBMJQRKESA-N 0 1 299.817 3.770 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001238781255 1131246776 /nfs/dbraw/zinc/24/67/76/1131246776.db2.gz OOLXSOMSIGLALJ-MRXNPFEDSA-N 0 1 297.801 3.790 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CCC[C@@]2(CCOC2)C1 ZINC001238781255 1131246781 /nfs/dbraw/zinc/24/67/81/1131246781.db2.gz OOLXSOMSIGLALJ-MRXNPFEDSA-N 0 1 297.801 3.790 20 0 CHADMN CCCN(CCC)Cc1cc(OC(C)C)ncc1F ZINC001238792664 1131249983 /nfs/dbraw/zinc/24/99/83/1131249983.db2.gz BWUZBKIUJGJTSV-UHFFFAOYSA-N 0 1 268.376 3.630 20 0 CHADMN CC(C)(NCc1nc2ccccc2[nH]1)c1cccs1 ZINC001119293367 1131250487 /nfs/dbraw/zinc/25/04/87/1131250487.db2.gz CEOOCECVCDEXQV-UHFFFAOYSA-N 0 1 271.389 3.649 20 0 CHADMN O=c1cc(C2CCCCC2)[nH]n1-c1ccc(F)c(F)c1 ZINC001245935530 1131254873 /nfs/dbraw/zinc/25/48/73/1131254873.db2.gz GIWJFKQEHDTYHS-UHFFFAOYSA-N 0 1 278.302 3.904 20 0 CHADMN COc1cc(OC)cc([C@H](C)Nc2nc(C)ccc2C)c1 ZINC001170930105 1131255978 /nfs/dbraw/zinc/25/59/78/1131255978.db2.gz FRKWDWOLDCXJEX-ZDUSSCGKSA-N 0 1 286.375 3.889 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000525634314 1124450770 /nfs/dbraw/zinc/45/07/70/1124450770.db2.gz NJLMCNPFUWDCFQ-NWDGAFQWSA-N 0 1 295.810 3.732 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Cl)c3c(c2)OCCO3)[C@@H]1C ZINC000525634316 1124451234 /nfs/dbraw/zinc/45/12/34/1124451234.db2.gz NJLMCNPFUWDCFQ-VXGBXAGGSA-N 0 1 295.810 3.732 20 0 CHADMN O=c1cc(CC2CC2)[nH]n1-c1c(Cl)cccc1Cl ZINC001245953280 1131261274 /nfs/dbraw/zinc/26/12/74/1131261274.db2.gz OSZNQUBPLZYJQR-UHFFFAOYSA-N 0 1 283.158 3.837 20 0 CHADMN C[C@H](N[C@@H]1CO[C@H](C)[C@@H]1C)c1nc(C(C)(C)C)cs1 ZINC001119690050 1131262118 /nfs/dbraw/zinc/26/21/18/1131262118.db2.gz WKGNUWDUDJZRSJ-NNYUYHANSA-N 0 1 282.453 3.515 20 0 CHADMN Cc1cn(C)nc1CN[C@H](C)c1csc2ccccc12 ZINC001119813679 1131264076 /nfs/dbraw/zinc/26/40/76/1131264076.db2.gz XYWGEFAMEYSUNU-GFCCVEGCSA-N 0 1 285.416 3.794 20 0 CHADMN c1csc(CCCN[C@@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000525868229 1124475334 /nfs/dbraw/zinc/47/53/34/1124475334.db2.gz IMHHFJGCBSTGCD-MRXNPFEDSA-N 0 1 297.427 3.783 20 0 CHADMN CC(C)CCCN(C)Cc1nc2c(s1)CCCC2 ZINC000428484341 1124475341 /nfs/dbraw/zinc/47/53/41/1124475341.db2.gz LYMCOMOWFLRMRC-UHFFFAOYSA-N 0 1 266.454 3.890 20 0 CHADMN c1csc(CCCN[C@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000525868228 1124475392 /nfs/dbraw/zinc/47/53/92/1124475392.db2.gz IMHHFJGCBSTGCD-INIZCTEOSA-N 0 1 297.427 3.783 20 0 CHADMN CC1(C)CC(CN[C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000525859163 1124477000 /nfs/dbraw/zinc/47/70/00/1124477000.db2.gz RBBWMVNOZNNTQL-KRWDZBQOSA-N 0 1 299.393 3.731 20 0 CHADMN CN(C)C=Cc1ccncc1-c1cc2ccccc2[nH]c1=O ZINC001238881055 1131262916 /nfs/dbraw/zinc/26/29/16/1131262916.db2.gz FASFVFQQWKMWIC-CSKARUKUSA-N 0 1 291.354 3.535 20 0 CHADMN C[C@@H](CN[C@@H](c1ncc[nH]1)c1cccnc1)C1CCCCC1 ZINC000526041343 1124502290 /nfs/dbraw/zinc/50/22/90/1124502290.db2.gz WENVVHASTMLAKE-WMLDXEAASA-N 0 1 298.434 3.700 20 0 CHADMN Fc1cccc(Cl)c1CCCN1CCOC2(CCC2)C1 ZINC000447725825 1124517810 /nfs/dbraw/zinc/51/78/10/1124517810.db2.gz CGGHMNMHHUCWFG-UHFFFAOYSA-N 0 1 297.801 3.667 20 0 CHADMN FC(F)(F)c1ncc(CN2C[C@@H]3CCCC[C@@H]3C2)s1 ZINC000447740265 1124519380 /nfs/dbraw/zinc/51/93/80/1124519380.db2.gz HGIQCPZPLJPVFK-AOOOYVTPSA-N 0 1 290.354 3.784 20 0 CHADMN O=C(CN1CCC2(CCC2)C1)Nc1ccc2ccccc2c1 ZINC000122843243 1124542322 /nfs/dbraw/zinc/54/23/22/1124542322.db2.gz CFTGHMNUFNOTRD-UHFFFAOYSA-N 0 1 294.398 3.654 20 0 CHADMN CCOC[C@H](NCc1ncc(C(C)(C)C)s1)C(C)C ZINC000447899539 1124544387 /nfs/dbraw/zinc/54/43/87/1124544387.db2.gz UHARWTMDIZJOES-LBPRGKRZSA-N 0 1 284.469 3.591 20 0 CHADMN Clc1ccc(/C=C\CN2CCOC3(CCC3)C2)cc1 ZINC000527049728 1124547659 /nfs/dbraw/zinc/54/76/59/1124547659.db2.gz VBFDPVVTSQQJIS-IWQZZHSRSA-N 0 1 277.795 3.608 20 0 CHADMN C(=C\c1nc(-c2ccn3cncc3c2)no1)\c1ccsc1 ZINC000447951972 1124550000 /nfs/dbraw/zinc/55/00/00/1124550000.db2.gz ODLBSCRPFDOZQE-UPHRSURJSA-N 0 1 294.339 3.616 20 0 CHADMN CCC[N@@H+](Cc1cnoc1C)[C@H]1CCc2ccccc21 ZINC000527323922 1124567019 /nfs/dbraw/zinc/56/70/19/1124567019.db2.gz ZOULQTLPXCTHPX-KRWDZBQOSA-N 0 1 270.376 3.883 20 0 CHADMN CC(C)(C)c1cnc(CN(CCO)C2CCCCC2)s1 ZINC000448223972 1124574355 /nfs/dbraw/zinc/57/43/55/1124574355.db2.gz PPFHULCKMQNCPQ-UHFFFAOYSA-N 0 1 296.480 3.568 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1cnn(CC2CCC2)c1 ZINC001120053433 1131272001 /nfs/dbraw/zinc/27/20/01/1131272001.db2.gz KWOJDMBATXKEPB-GOSISDBHSA-N 0 1 298.434 3.661 20 0 CHADMN CC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000448827169 1124618031 /nfs/dbraw/zinc/61/80/31/1124618031.db2.gz BDTJZAOMNIMWJU-XJKCOSOUSA-N 0 1 297.402 3.581 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)NOC(C)(C)C)c1ccccc1 ZINC000148965971 1124620133 /nfs/dbraw/zinc/62/01/33/1124620133.db2.gz WETODCBGDAAXFZ-OCCSQVGLSA-N 0 1 263.381 3.663 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)NOC(C)(C)C)c1ccccc1 ZINC000148966317 1124620255 /nfs/dbraw/zinc/62/02/55/1124620255.db2.gz WETODCBGDAAXFZ-TZMCWYRMSA-N 0 1 263.381 3.663 20 0 CHADMN FC(F)(F)c1coc(CSc2nc(C3CC3)n[nH]2)c1 ZINC000871644210 1124621622 /nfs/dbraw/zinc/62/16/22/1124621622.db2.gz DGZBGROOMIATLC-UHFFFAOYSA-N 0 1 289.282 3.586 20 0 CHADMN FC(F)(F)c1coc(CSc2n[nH]c(C3CC3)n2)c1 ZINC000871644210 1124621623 /nfs/dbraw/zinc/62/16/23/1124621623.db2.gz DGZBGROOMIATLC-UHFFFAOYSA-N 0 1 289.282 3.586 20 0 CHADMN CC[C@@H](c1ccccc1)N(CC)Cc1c(C)nnn1CC ZINC000449015551 1124629472 /nfs/dbraw/zinc/62/94/72/1124629472.db2.gz UJPBYLQTGJEEKD-INIZCTEOSA-N 0 1 286.423 3.580 20 0 CHADMN COc1cc(C)ccc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000449008538 1124631955 /nfs/dbraw/zinc/63/19/55/1124631955.db2.gz QMKIHBKIMLLZCS-CYBMUJFWSA-N 0 1 287.325 3.778 20 0 CHADMN COc1cc(C)ccc1C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000449029094 1124635181 /nfs/dbraw/zinc/63/51/81/1124635181.db2.gz PSAYIVHVRLKQCV-AWEZNQCLSA-N 0 1 285.387 3.902 20 0 CHADMN COc1cc(C)ccc1CN(C)[C@@H](C)c1cccc(O)c1 ZINC000449029094 1124635182 /nfs/dbraw/zinc/63/51/82/1124635182.db2.gz PSAYIVHVRLKQCV-AWEZNQCLSA-N 0 1 285.387 3.902 20 0 CHADMN CCn1nnc(C)c1C[N@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000449030984 1124635709 /nfs/dbraw/zinc/63/57/09/1124635709.db2.gz TTWWTRCRTPBSLY-KRWDZBQOSA-N 0 1 298.434 3.560 20 0 CHADMN C[N@H+](Cc1cc(Cl)sc1Cl)CC1CCOCC1 ZINC000449032190 1124636160 /nfs/dbraw/zinc/63/61/60/1124636160.db2.gz YJDKWMQFEONBLE-UHFFFAOYSA-N 0 1 294.247 3.913 20 0 CHADMN CN(Cc1cc(Cl)sc1Cl)CC1CCOCC1 ZINC000449032190 1124636163 /nfs/dbraw/zinc/63/61/63/1124636163.db2.gz YJDKWMQFEONBLE-UHFFFAOYSA-N 0 1 294.247 3.913 20 0 CHADMN c1coc([C@H]2C[N@@H+](Cc3cccc4ccoc43)CCO2)c1 ZINC000449036179 1124636209 /nfs/dbraw/zinc/63/62/09/1124636209.db2.gz JGECEYNWOFCKDX-MRXNPFEDSA-N 0 1 283.327 3.599 20 0 CHADMN c1coc([C@H]2CN(Cc3cccc4ccoc43)CCO2)c1 ZINC000449036179 1124636210 /nfs/dbraw/zinc/63/62/10/1124636210.db2.gz JGECEYNWOFCKDX-MRXNPFEDSA-N 0 1 283.327 3.599 20 0 CHADMN C[C@@H]1CCC[N@H+]1Cc1cnc(CCc2ccccc2)s1 ZINC000449031885 1124636399 /nfs/dbraw/zinc/63/63/99/1124636399.db2.gz XPSDZGHFVDJHIV-CQSZACIVSA-N 0 1 286.444 3.913 20 0 CHADMN CCc1cccc2[nH]c(-c3nc(C4(N)CCCC4)no3)cc21 ZINC000871787139 1124636476 /nfs/dbraw/zinc/63/64/76/1124636476.db2.gz NVMBNCRPVSEXRK-UHFFFAOYSA-N 0 1 296.374 3.508 20 0 CHADMN CC(=O)c1cccc(OC[C@@H]2CCCCN2C(C)C)c1F ZINC000871802605 1124638094 /nfs/dbraw/zinc/63/80/94/1124638094.db2.gz KGOAYYLECDNJDM-AWEZNQCLSA-N 0 1 293.382 3.670 20 0 CHADMN CC(=O)c1cccc(OC[C@@H]2CCCC[N@@H+]2C(C)C)c1F ZINC000871802605 1124638088 /nfs/dbraw/zinc/63/80/88/1124638088.db2.gz KGOAYYLECDNJDM-AWEZNQCLSA-N 0 1 293.382 3.670 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1ccnn1C1CCCC1 ZINC000449057995 1124639143 /nfs/dbraw/zinc/63/91/43/1124639143.db2.gz FZRMVJNPCDXULB-CQSZACIVSA-N 0 1 299.418 3.858 20 0 CHADMN Cc1ccccc1C1CCN(Cc2ccncc2F)CC1 ZINC000449022838 1124639539 /nfs/dbraw/zinc/63/95/39/1124639539.db2.gz KZOHXQFKHDWUOV-UHFFFAOYSA-N 0 1 284.378 3.909 20 0 CHADMN Clc1cccc(CNCc2ccnn2C2CCCC2)c1 ZINC000449060940 1124640895 /nfs/dbraw/zinc/64/08/95/1124640895.db2.gz GYFTYFGKAOPJFM-UHFFFAOYSA-N 0 1 289.810 3.941 20 0 CHADMN CC(C)c1nc(CNC2CC3(C2)COC(C)(C)C3)cs1 ZINC001120354512 1131274289 /nfs/dbraw/zinc/27/42/89/1131274289.db2.gz GDXHONBUHHFKPE-UHFFFAOYSA-N 0 1 294.464 3.704 20 0 CHADMN c1cc2cc(NCc3nc4c(o3)CCCC4)ccc2cn1 ZINC000871837023 1124642937 /nfs/dbraw/zinc/64/29/37/1124642937.db2.gz FIDZAVZAOXDEBJ-UHFFFAOYSA-N 0 1 279.343 3.714 20 0 CHADMN Cc1ccccc1[C@H](N)C(=O)Nc1cccc(C(C)C)c1 ZINC000449072429 1124645772 /nfs/dbraw/zinc/64/57/72/1124645772.db2.gz KFDLVFSMSIZTIK-KRWDZBQOSA-N 0 1 282.387 3.757 20 0 CHADMN C/C(Cl)=C/CN(Cc1cccc(O)c1)CC1CC1 ZINC000528380181 1124647455 /nfs/dbraw/zinc/64/74/55/1124647455.db2.gz JEZCUFWAZMZSSO-GHXNOFRVSA-N 0 1 265.784 3.747 20 0 CHADMN CC(=O)Nc1ccc(CNc2ccc3c(n2)CCCC3)cc1 ZINC000871865646 1124648946 /nfs/dbraw/zinc/64/89/46/1124648946.db2.gz NFUIMVOAZTYWRM-UHFFFAOYSA-N 0 1 295.386 3.531 20 0 CHADMN CC[C@H](NCc1ccsc1)C(=O)Nc1ccc(C)cc1 ZINC000871869921 1124650020 /nfs/dbraw/zinc/65/00/20/1124650020.db2.gz BZPOXEVLAGPDKI-HNNXBMFYSA-N 0 1 288.416 3.563 20 0 CHADMN CCCCCC[C@H](C)n1[nH]c(C[C@@H]2CCCO2)cc1=O ZINC000871960070 1124655532 /nfs/dbraw/zinc/65/55/32/1124655532.db2.gz ULAJZNDIJRNCIL-ZFWWWQNUSA-N 0 1 280.412 3.503 20 0 CHADMN C/C(Cl)=C/CN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000528408813 1124655513 /nfs/dbraw/zinc/65/55/13/1124655513.db2.gz YYYKJFUHMPACBD-QCDXTXTGSA-N 0 1 287.794 3.795 20 0 CHADMN CCCCC1=NN([C@@H]2CCOC3(CCCC3)C2)C(=O)[C@@H]1C ZINC000871963705 1124655994 /nfs/dbraw/zinc/65/59/94/1124655994.db2.gz KTRGSXVTOCGNNJ-ZIAGYGMSSA-N 0 1 292.423 3.503 20 0 CHADMN CCCCc1[nH]n([C@@H]2CCOC3(CCCC3)C2)c(=O)c1C ZINC000871963705 1124655997 /nfs/dbraw/zinc/65/59/97/1124655997.db2.gz KTRGSXVTOCGNNJ-ZIAGYGMSSA-N 0 1 292.423 3.503 20 0 CHADMN O=c1cc(C2CCCC2)[nH]n1[C@@H]1CCc2c1cccc2F ZINC000871960811 1124656128 /nfs/dbraw/zinc/65/61/28/1124656128.db2.gz AIKJTNXPFKYORM-MRXNPFEDSA-N 0 1 286.350 3.592 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cc(O)ccc2F)cc1 ZINC000872019422 1124657765 /nfs/dbraw/zinc/65/77/65/1124657765.db2.gz WOHZHOHYPNGWAZ-GFCCVEGCSA-N 0 1 259.324 3.691 20 0 CHADMN COCc1ccccc1CN[C@H](C)c1cc(O)ccc1F ZINC000872018305 1124658251 /nfs/dbraw/zinc/65/82/51/1124658251.db2.gz KEZXSOMCTDAXSZ-GFCCVEGCSA-N 0 1 289.350 3.529 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cccc(O)c2F)s1 ZINC000872025595 1124658788 /nfs/dbraw/zinc/65/87/88/1124658788.db2.gz PTAXWENWAYPISC-JTQLQIEISA-N 0 1 265.353 3.752 20 0 CHADMN C/C(Cl)=C\C[N@H+]1C[C@@H](C)N(C/C=C(/C)Cl)C[C@@H]1C ZINC000528421476 1124661897 /nfs/dbraw/zinc/66/18/97/1124661897.db2.gz PFHUJGRVZJGXEC-JLBUNZFISA-N 0 1 291.266 3.666 20 0 CHADMN C/C(Cl)=C\CN1C[C@@H](C)N(C/C=C(/C)Cl)C[C@@H]1C ZINC000528421476 1124661902 /nfs/dbraw/zinc/66/19/02/1124661902.db2.gz PFHUJGRVZJGXEC-JLBUNZFISA-N 0 1 291.266 3.666 20 0 CHADMN Cc1cc(CN[C@@H]2CC(C)(C)Sc3ccccc32)[nH]n1 ZINC000872038487 1124663335 /nfs/dbraw/zinc/66/33/35/1124663335.db2.gz OCFIWFCQJPYDNN-CQSZACIVSA-N 0 1 287.432 3.823 20 0 CHADMN Cc1cccc(C)c1CN[C@@H](C)c1cccc(O)c1F ZINC000872050136 1124666152 /nfs/dbraw/zinc/66/61/52/1124666152.db2.gz YLYPOEQWYOLTJB-ZDUSSCGKSA-N 0 1 273.351 3.999 20 0 CHADMN Cc1cc(CNCc2nc3cccc(C)c3[nH]2)cs1 ZINC000449205096 1124668329 /nfs/dbraw/zinc/66/83/29/1124668329.db2.gz KWCVLZIZQLXXQY-UHFFFAOYSA-N 0 1 271.389 3.531 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@H](C)c1cccc(O)c1F ZINC000872060907 1124670282 /nfs/dbraw/zinc/67/02/82/1124670282.db2.gz BFRULFNCEKWJQU-BDAKNGLRSA-N 0 1 279.277 3.913 20 0 CHADMN C/C(Cl)=C\CN[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000528453150 1124671492 /nfs/dbraw/zinc/67/14/92/1124671492.db2.gz XXIPWFUQJCMJKL-PFEDMVJOSA-N 0 1 269.820 3.740 20 0 CHADMN C[C@@H](N[C@@H](C)CC(F)(F)F)c1cccc(O)c1F ZINC000872062463 1124671480 /nfs/dbraw/zinc/67/14/80/1124671480.db2.gz HJHKXMFOTYNCJI-JGVFFNPUSA-N 0 1 265.250 3.523 20 0 CHADMN COCc1ccc([C@@H]2CCCN2C/C=C(/C)Cl)o1 ZINC000528449729 1124671784 /nfs/dbraw/zinc/67/17/84/1124671784.db2.gz DQRYGHXHBKFYNG-YLBKJLTLSA-N 0 1 269.772 3.706 20 0 CHADMN C/C(Cl)=C\CN1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000528453144 1124671878 /nfs/dbraw/zinc/67/18/78/1124671878.db2.gz ZCMIVRDHWBSKIJ-OEKYQYDRSA-N 0 1 250.773 3.607 20 0 CHADMN C[C@H](N[C@H]1CCCCc2ccccc2C1)c1csnn1 ZINC000872081184 1124676930 /nfs/dbraw/zinc/67/69/30/1124676930.db2.gz WOHLUFVQQYTHDB-WFASDCNBSA-N 0 1 287.432 3.526 20 0 CHADMN C[C@@H](CN[C@@H]1CCc2cc(F)c(F)c(F)c21)C(F)(F)F ZINC000449259558 1124677784 /nfs/dbraw/zinc/67/77/84/1124677784.db2.gz ULSFJRMOGIAHFN-IMTBSYHQSA-N 0 1 297.242 3.879 20 0 CHADMN CO[C@H]1CCN(Cc2nc3cc(C)ccc3s2)[C@@H](C)C1 ZINC000528489215 1124678913 /nfs/dbraw/zinc/67/89/13/1124678913.db2.gz DXLVUQHLXVJRLE-STQMWFEESA-N 0 1 290.432 3.604 20 0 CHADMN Clc1cccnc1CN1CCC[C@@H](c2ccccn2)C1 ZINC000528510929 1124680026 /nfs/dbraw/zinc/68/00/26/1124680026.db2.gz FULAPYYCCIXVJU-CYBMUJFWSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1ccc(C(C)(C)NCc2ccnn2C2CCCC2)cn1 ZINC000449244777 1124680150 /nfs/dbraw/zinc/68/01/50/1124680150.db2.gz VRYMFNHAUUHBRZ-UHFFFAOYSA-N 0 1 298.434 3.727 20 0 CHADMN CC[C@H](N[C@@H](C)c1nc(C(C)(C)C)no1)C1CCCC1 ZINC000449279757 1124682618 /nfs/dbraw/zinc/68/26/18/1124682618.db2.gz SRUYYJWNYANWDJ-AAEUAGOBSA-N 0 1 279.428 3.987 20 0 CHADMN C/C(Cl)=C/CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000528523471 1124683436 /nfs/dbraw/zinc/68/34/36/1124683436.db2.gz AOAPKEXMQISQEU-FWAPLPHYSA-N 0 1 255.711 3.793 20 0 CHADMN Cc1ccccc1C[C@@H](C)N(C)Cc1ccncc1F ZINC000449287444 1124684045 /nfs/dbraw/zinc/68/40/45/1124684045.db2.gz KORLNHRBWYEJSJ-CQSZACIVSA-N 0 1 272.367 3.592 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1ccc(C(F)(F)F)s1 ZINC000872106132 1124684155 /nfs/dbraw/zinc/68/41/55/1124684155.db2.gz FDKWDWNYJKBYMT-SSDOTTSWSA-N 0 1 289.326 3.649 20 0 CHADMN C[C@]1(c2ccc(F)cc2)CCN(Cc2ccncc2F)C1 ZINC000449298233 1124685699 /nfs/dbraw/zinc/68/56/99/1124685699.db2.gz GZRYDGRJMVRLAT-KRWDZBQOSA-N 0 1 288.341 3.523 20 0 CHADMN C[C@H]1CSC[C@@H]1Nc1ccc(Cl)c(CN(C)C)c1 ZINC000449302464 1124686796 /nfs/dbraw/zinc/68/67/96/1124686796.db2.gz KAJUZMGZMXJZSN-HZMBPMFUSA-N 0 1 284.856 3.565 20 0 CHADMN Fc1c(Cl)cccc1-c1nc[nH]c2nc(=S)sc1-2 ZINC001238955021 1131277326 /nfs/dbraw/zinc/27/73/26/1131277326.db2.gz IAITVGKYOVYYOE-UHFFFAOYSA-N 0 1 297.767 3.835 20 0 CHADMN COc1cc(C)c([C@@H](C)N[C@@H](C)c2nccnc2C)cc1C ZINC000872133493 1124693010 /nfs/dbraw/zinc/69/30/10/1124693010.db2.gz NDYJPBICLLZNNR-HIFRSBDPSA-N 0 1 299.418 3.822 20 0 CHADMN CC[C@H](N[C@H](C)c1nccnc1C)c1cccc(C)c1 ZINC000872134619 1124693988 /nfs/dbraw/zinc/69/39/88/1124693988.db2.gz SQGLBIQTHBDTNY-ZBFHGGJFSA-N 0 1 269.392 3.895 20 0 CHADMN CC[C@H](N[C@@H](C)c1csc(C)n1)[C@@H](O)c1ccccc1 ZINC000872134722 1124694125 /nfs/dbraw/zinc/69/41/25/1124694125.db2.gz YDTABFBZIUPJMM-PJODQICGSA-N 0 1 290.432 3.614 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN2CCC[C@](C)(F)C2)cc1 ZINC000449347403 1124696039 /nfs/dbraw/zinc/69/60/39/1124696039.db2.gz CMTIMODSZJZFLL-KRWDZBQOSA-N 0 1 287.382 3.709 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872169390 1124696677 /nfs/dbraw/zinc/69/66/77/1124696677.db2.gz NPPHWRIFPPNGKJ-HZUKXOBISA-N 0 1 293.794 3.730 20 0 CHADMN CC(C)c1cccc(C[N@H+]2CC[C@]3(C(=O)[O-])CCC[C@H]23)c1 ZINC000872167582 1124696789 /nfs/dbraw/zinc/69/67/89/1124696789.db2.gz FRONSOQPHYZNHI-FUHWJXTLSA-N 0 1 287.403 3.639 20 0 CHADMN C[C@H](C[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C)CC(C)(C)C ZINC000872161887 1124696839 /nfs/dbraw/zinc/69/68/39/1124696839.db2.gz GLACDYHXROPUTL-IGQOVBAYSA-N 0 1 269.429 3.632 20 0 CHADMN Fc1cccc2c1CCC[C@H]2NCc1cccc2c1OCO2 ZINC000449346870 1124696950 /nfs/dbraw/zinc/69/69/50/1124696950.db2.gz AQYBZBVXLRHCMO-MRXNPFEDSA-N 0 1 299.345 3.722 20 0 CHADMN Cc1ccc(C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)cc1C(=O)[O-] ZINC000872158720 1124697152 /nfs/dbraw/zinc/69/71/52/1124697152.db2.gz HNBZYIPNNMFXMU-SCLBCKFNSA-N 0 1 287.403 3.705 20 0 CHADMN Cc1ccc(C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)cc1C(=O)[O-] ZINC000872158718 1124697310 /nfs/dbraw/zinc/69/73/10/1124697310.db2.gz HNBZYIPNNMFXMU-ACJLOTCBSA-N 0 1 287.403 3.705 20 0 CHADMN C[C@H](C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21)CC(C)(C)C ZINC000872161422 1124697383 /nfs/dbraw/zinc/69/73/83/1124697383.db2.gz SWAKDEFLEKUFRR-XGUBFFRZSA-N 0 1 281.440 3.634 20 0 CHADMN COCCC1CCN(Cc2ccccc2OC(F)F)CC1 ZINC000528571831 1124699474 /nfs/dbraw/zinc/69/94/74/1124699474.db2.gz ACEIGXRYZBKUPA-UHFFFAOYSA-N 0 1 299.361 3.537 20 0 CHADMN Fc1cccc(CN2CCC[C@@H](OC3CCC3)CC2)c1F ZINC000872261234 1124699756 /nfs/dbraw/zinc/69/97/56/1124699756.db2.gz AEVKZTKQZZWQSH-OAHLLOKOSA-N 0 1 295.373 3.888 20 0 CHADMN Clc1ncccc1CN1CCC[C@H](OC2CCC2)CC1 ZINC000872261876 1124699982 /nfs/dbraw/zinc/69/99/82/1124699982.db2.gz JARUAZVOBQJWBG-HNNXBMFYSA-N 0 1 294.826 3.659 20 0 CHADMN CC[C@H](NCC1CCC(C(F)(F)F)CC1)C(F)F ZINC000449365381 1124700408 /nfs/dbraw/zinc/70/04/08/1124700408.db2.gz VQPVSNKTCNLGFI-RTBKNWGFSA-N 0 1 273.289 3.988 20 0 CHADMN CC[C@@H](N[C@H]1CCc2[nH]c3ccc(C)cc3c2C1)C(F)F ZINC000449359396 1124710083 /nfs/dbraw/zinc/71/00/83/1124710083.db2.gz HSLWHNXXCPRFHK-SMDDNHRTSA-N 0 1 292.373 3.967 20 0 CHADMN C[C@H](NC(CF)CF)[C@@H](C)c1ccc(Cl)cc1 ZINC000449379408 1124715210 /nfs/dbraw/zinc/71/52/10/1124715210.db2.gz HZGJUVOQRCOLRI-ZJUUUORDSA-N 0 1 261.743 3.729 20 0 CHADMN Cc1ccccc1CCN(C)Cc1nc2ccccc2n1C ZINC000449381828 1124717754 /nfs/dbraw/zinc/71/77/54/1124717754.db2.gz TVDDFPNWPRGMKM-UHFFFAOYSA-N 0 1 293.414 3.556 20 0 CHADMN C[C@H]1CN(Cc2ccc(N3CCCC3)o2)Cc2ccccc21 ZINC001137060724 1124719901 /nfs/dbraw/zinc/71/99/01/1124719901.db2.gz CFTAKWJFASSKQU-HNNXBMFYSA-N 0 1 296.414 3.999 20 0 CHADMN CC(C)c1cc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000872525408 1124720062 /nfs/dbraw/zinc/72/00/62/1124720062.db2.gz LVPOIFSRCPTICG-LBPRGKRZSA-N 0 1 293.411 3.648 20 0 CHADMN C[C@@H](N[C@@H](C)CCc1ccc(F)cc1)C(C)(F)F ZINC000449416306 1124723951 /nfs/dbraw/zinc/72/39/51/1124723951.db2.gz SUXZATMMNOODSC-WDEREUQCSA-N 0 1 259.315 3.780 20 0 CHADMN C[C@@H](Cc1ccccc1)CN1CC(C)(C)[C@@H]1c1nccn1C ZINC000449416851 1124724060 /nfs/dbraw/zinc/72/40/60/1124724060.db2.gz VQRLDAUBJNJTPA-RDJZCZTQSA-N 0 1 297.446 3.682 20 0 CHADMN c1nncn1CN1CC2(CCCCCC2)[C@@H]1c1ccccc1 ZINC000872741311 1124727557 /nfs/dbraw/zinc/72/75/57/1124727557.db2.gz CLJHTCOBBOXTJF-KRWDZBQOSA-N 0 1 296.418 3.633 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1CN1CC(C)(C)[C@@H]1c1nccn1C ZINC000449412492 1124731271 /nfs/dbraw/zinc/73/12/71/1124731271.db2.gz FSPUQGLWSBOWAW-JYJNAYRXSA-N 0 1 287.451 3.795 20 0 CHADMN CCN(c1ccc(NCc2ccon2)cc1)C(C)C ZINC000873017860 1124734103 /nfs/dbraw/zinc/73/41/03/1124734103.db2.gz MYXPXTPCNUKVLY-UHFFFAOYSA-N 0 1 259.353 3.521 20 0 CHADMN CCc1ncc(CNCc2cccc(OC(C)(C)C)c2)cn1 ZINC000873164156 1124744432 /nfs/dbraw/zinc/74/44/32/1124744432.db2.gz YMXGMCWKZRADOP-UHFFFAOYSA-N 0 1 299.418 3.506 20 0 CHADMN FCC1CCN(Cc2cscc2C(F)(F)F)CC1 ZINC000449453902 1124745650 /nfs/dbraw/zinc/74/56/50/1124745650.db2.gz IZJOSCJAFGKREF-UHFFFAOYSA-N 0 1 281.318 3.948 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1cccc(Cl)c1C ZINC000873186822 1124748204 /nfs/dbraw/zinc/74/82/04/1124748204.db2.gz XHLZZNXWCVSOHF-GFCCVEGCSA-N 0 1 275.783 3.598 20 0 CHADMN CC(C)n1cc(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)cn1 ZINC000449457339 1124748242 /nfs/dbraw/zinc/74/82/42/1124748242.db2.gz FWSMGMWDTZCYOO-WCQYABFASA-N 0 1 289.345 3.627 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(C(F)(F)F)nc2)ccn1 ZINC000873185228 1124748264 /nfs/dbraw/zinc/74/82/64/1124748264.db2.gz FOZUQIHKGVGVMR-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN CCOc1c(Cl)cccc1CN1CC[C@@H](OC)[C@H](C)C1 ZINC000449494517 1124763800 /nfs/dbraw/zinc/76/38/00/1124763800.db2.gz GRHFOPPRCHAEKV-IUODEOHRSA-N 0 1 297.826 3.596 20 0 CHADMN CCOC[C@H]1CN([C@H](C)c2ccc3ccccc3c2)CCO1 ZINC000528717808 1124769978 /nfs/dbraw/zinc/76/99/78/1124769978.db2.gz GUSKRDYUIFJYRO-DNVCBOLYSA-N 0 1 299.414 3.638 20 0 CHADMN CCOC[C@H]1CN([C@@H](C)c2ccc3ccccc3c2)CCO1 ZINC000528717811 1124770136 /nfs/dbraw/zinc/77/01/36/1124770136.db2.gz GUSKRDYUIFJYRO-HNAYVOBHSA-N 0 1 299.414 3.638 20 0 CHADMN CCO[C@H]1CCN(Cc2cc(F)cc(Cl)c2)C[C@@H]1C ZINC000449497028 1124772900 /nfs/dbraw/zinc/77/29/00/1124772900.db2.gz JWVGTRYBYBHCHG-NHYWBVRUSA-N 0 1 285.790 3.726 20 0 CHADMN CO[C@@H]1CCN(Cc2cnc(C(C)(C)C)s2)CC1(C)C ZINC000449498042 1124774335 /nfs/dbraw/zinc/77/43/35/1124774335.db2.gz JQRIQQKPXOSBTF-CYBMUJFWSA-N 0 1 296.480 3.688 20 0 CHADMN O=C(c1cccc(F)c1O)N1CCC[C@H](c2ccccc2)C1 ZINC000820421568 1131288360 /nfs/dbraw/zinc/28/83/60/1131288360.db2.gz SBSJXXZRVCYZIR-AWEZNQCLSA-N 0 1 299.345 3.551 20 0 CHADMN CC(C)(O)/C=C/c1cccc2c1CN(Cc1ccccc1)C2 ZINC001239155351 1131302860 /nfs/dbraw/zinc/30/28/60/1131302860.db2.gz IKECFQRKRWXGMA-VAWYXSNFSA-N 0 1 293.410 3.987 20 0 CHADMN Cc1cc(NC(=O)Nc2ccc3nc[nH]c3c2)ccc1F ZINC001239198495 1131305519 /nfs/dbraw/zinc/30/55/19/1131305519.db2.gz KEHBWUOETUTKJM-UHFFFAOYSA-N 0 1 284.294 3.654 20 0 CHADMN Cc1nc(CN(C)C[C@@H](C)C2CCCCC2)oc1C ZINC000528774986 1124800341 /nfs/dbraw/zinc/80/03/41/1124800341.db2.gz UOQAQXLLWDROAQ-GFCCVEGCSA-N 0 1 264.413 3.940 20 0 CHADMN FC(F)(F)c1cccc(C2CN(Cc3ccncc3)C2)c1 ZINC000449661737 1124834519 /nfs/dbraw/zinc/83/45/19/1124834519.db2.gz DDACSRRMGHWGJT-UHFFFAOYSA-N 0 1 292.304 3.700 20 0 CHADMN CCC(CC)COC(=O)Nc1ccc2nc[nH]c2c1 ZINC001239314672 1131315754 /nfs/dbraw/zinc/31/57/54/1131315754.db2.gz DEKXXSKWUARPCC-UHFFFAOYSA-N 0 1 261.325 3.548 20 0 CHADMN Cc1nn(C)cc1CN1CCC[C@@H]1c1ccc(F)cc1C ZINC000449729685 1124847936 /nfs/dbraw/zinc/84/79/36/1124847936.db2.gz BKFFBNSMGSVNPW-QGZVFWFLSA-N 0 1 287.382 3.513 20 0 CHADMN COCc1cnc(CN2CC[C@H](CC(C)(C)C)C2)s1 ZINC000449770721 1124864788 /nfs/dbraw/zinc/86/47/88/1124864788.db2.gz DRRCVSPIJQWHHD-GFCCVEGCSA-N 0 1 282.453 3.548 20 0 CHADMN Clc1cccc([C@H]2CC[C@@H](NCc3cocn3)C2)c1 ZINC000449773683 1124867355 /nfs/dbraw/zinc/86/73/55/1124867355.db2.gz NJUGSLRESRIAHM-GXTWGEPZSA-N 0 1 276.767 3.754 20 0 CHADMN COC[C@@H]1CCCN(Cc2ccsc2Cl)CC1 ZINC000449779380 1124869557 /nfs/dbraw/zinc/86/95/57/1124869557.db2.gz TXGWUSQCHWVTKU-LLVKDONJSA-N 0 1 273.829 3.650 20 0 CHADMN CC(C)[C@@H]1[N@@H+](Cc2cncs2)CC12CCCC2 ZINC000449793785 1124875173 /nfs/dbraw/zinc/87/51/73/1124875173.db2.gz YEFBZOPRMZVRGZ-ZDUSSCGKSA-N 0 1 250.411 3.544 20 0 CHADMN CCCC[C@H](CCC)NC(=O)c1c(C)n[nH]c1C(C)C ZINC000450100539 1124927960 /nfs/dbraw/zinc/92/79/60/1124927960.db2.gz APEVRLAGXOWWDP-ZDUSSCGKSA-N 0 1 279.428 3.930 20 0 CHADMN CCc1ccc(CN(C)Cc2cc3c(cc[nH]c3=O)o2)cc1 ZINC000876533406 1124958348 /nfs/dbraw/zinc/95/83/48/1124958348.db2.gz RXMMRAUMPCHCMQ-UHFFFAOYSA-N 0 1 296.370 3.728 20 0 CHADMN CCCN(Cc1cc2c(cc[nH]c2=O)o1)Cc1ccccc1 ZINC000876533252 1124959552 /nfs/dbraw/zinc/95/95/52/1124959552.db2.gz GVCKOIRENUEAGD-UHFFFAOYSA-N 0 1 296.370 3.946 20 0 CHADMN CCN(Cc1cc2c(cc[nH]c2=O)o1)Cc1ccccc1C ZINC000876580145 1124962054 /nfs/dbraw/zinc/96/20/54/1124962054.db2.gz GTYPJUFDYDWVII-UHFFFAOYSA-N 0 1 296.370 3.864 20 0 CHADMN CCN(Cc1ccc(Cl)nn1)[C@H](C)c1ccc(F)cc1 ZINC000876622798 1124965727 /nfs/dbraw/zinc/96/57/27/1124965727.db2.gz MXRCJMKSDBPOLI-LLVKDONJSA-N 0 1 293.773 3.852 20 0 CHADMN Cc1ccnc(CN2CCC[C@H]2C2CC2)c1Br ZINC000876690111 1124969809 /nfs/dbraw/zinc/96/98/09/1124969809.db2.gz RRIGZWFUANQKAV-ZDUSSCGKSA-N 0 1 295.224 3.527 20 0 CHADMN O=C(c1cccc(-c2ccc3nc[nH]c3c2)c1)C(F)(F)F ZINC001239380610 1131322632 /nfs/dbraw/zinc/32/26/32/1131322632.db2.gz OUNGQBIYMKQPSN-UHFFFAOYSA-N 0 1 290.244 3.975 20 0 CHADMN CC(C)CC1CCN(Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000876809450 1124980089 /nfs/dbraw/zinc/98/00/89/1124980089.db2.gz HCBFIOPKXFZBLD-UHFFFAOYSA-N 0 1 288.391 3.792 20 0 CHADMN CC(C)(C)C[C@H]1CCCN1Cc1nnc(C2CC2)s1 ZINC000450318954 1124984347 /nfs/dbraw/zinc/98/43/47/1124984347.db2.gz OUKDJVPTLXLAGG-GFCCVEGCSA-N 0 1 279.453 3.816 20 0 CHADMN CC[C@@H](NCc1cc(OC)cnc1F)c1ccc(C)cc1 ZINC000876891393 1124989019 /nfs/dbraw/zinc/98/90/19/1124989019.db2.gz XGEFNEVGWKUUMX-MRXNPFEDSA-N 0 1 288.366 3.779 20 0 CHADMN Cc1cccc(OC[C@H](C)NCc2nc(Cl)cs2)c1 ZINC000876961053 1124992695 /nfs/dbraw/zinc/99/26/95/1124992695.db2.gz BKEOMQFIQSBTJM-NSHDSACASA-N 0 1 296.823 3.662 20 0 CHADMN CO[C@@H]1CCN(Cc2ccsc2C(F)(F)F)[C@@H](C)C1 ZINC000529554115 1124995293 /nfs/dbraw/zinc/99/52/93/1124995293.db2.gz BEILBCOIYXQROQ-GXSJLCMTSA-N 0 1 293.354 3.766 20 0 CHADMN CC(C)(C)c1nc[nH]c1CN1CCC[C@H]2CCCC[C@H]21 ZINC001142230082 1124995544 /nfs/dbraw/zinc/99/55/44/1124995544.db2.gz DLOMSHRBXXUOMV-UKRRQHHQSA-N 0 1 275.440 3.862 20 0 CHADMN Cc1cc(C)cc([C@H](C)NCc2ccc(Cl)nn2)c1 ZINC000877012291 1124998498 /nfs/dbraw/zinc/99/84/98/1124998498.db2.gz QWTHPYQVMOVTCL-LBPRGKRZSA-N 0 1 275.783 3.598 20 0 CHADMN COc1c(C)cnc(CN[C@H]2CCc3ccc(C)cc32)c1C ZINC000877015393 1124998572 /nfs/dbraw/zinc/99/85/72/1124998572.db2.gz OQLDJOJLMBGRHD-KRWDZBQOSA-N 0 1 296.414 3.793 20 0 CHADMN COc1cnc(F)c(CN[C@H](C)c2cc(C)cc(C)c2)c1 ZINC000877011494 1124998852 /nfs/dbraw/zinc/99/88/52/1124998852.db2.gz DWDLMTFJEJPYJB-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN Clc1csc(CNC2CC(c3ccccc3)C2)n1 ZINC000877024587 1125000722 /nfs/dbraw/zinc/00/07/22/1125000722.db2.gz IQKXIDOFCHUBIA-UHFFFAOYSA-N 0 1 278.808 3.832 20 0 CHADMN c1cc2ccc(CN(Cc3cccnc3)C3CC3)cc2[nH]1 ZINC000529566810 1125004071 /nfs/dbraw/zinc/00/40/71/1125004071.db2.gz OGOKRDPDOGQZJS-UHFFFAOYSA-N 0 1 277.371 3.728 20 0 CHADMN CC(C)c1cnc(CN[C@H](C)Cc2ccco2)s1 ZINC000784496226 1131324589 /nfs/dbraw/zinc/32/45/89/1131324589.db2.gz SNMZKMRFSKJGGO-LLVKDONJSA-N 0 1 264.394 3.580 20 0 CHADMN Cc1cc(C)cc(CCNCc2nnc(C(C)C)s2)c1 ZINC000877083478 1125007233 /nfs/dbraw/zinc/00/72/33/1125007233.db2.gz BCZKTWMLKSEWOK-UHFFFAOYSA-N 0 1 289.448 3.611 20 0 CHADMN Cc1ccccc1[C@H](N)C(=O)Nc1ccc(C2CC2)cc1F ZINC000877262023 1125021290 /nfs/dbraw/zinc/02/12/90/1125021290.db2.gz VDRPCBJOXADBMJ-KRWDZBQOSA-N 0 1 298.361 3.650 20 0 CHADMN CN(Cc1cccnc1Br)C1(C)CCCC1 ZINC000877482114 1125032720 /nfs/dbraw/zinc/03/27/20/1125032720.db2.gz DAVZLWHKYJAUAH-UHFFFAOYSA-N 0 1 283.213 3.609 20 0 CHADMN Clc1csc(CNc2cc3c(cn2)CCCC3)n1 ZINC000877544437 1125042235 /nfs/dbraw/zinc/04/22/35/1125042235.db2.gz PNPKPHLQMSRAIB-UHFFFAOYSA-N 0 1 279.796 3.682 20 0 CHADMN CCO[P@](C)(=O)CC[C@@H](C)Nc1cc2c(cn1)CCC2 ZINC000877552609 1125044664 /nfs/dbraw/zinc/04/46/64/1125044664.db2.gz FDZIETJUQUQAKE-ODXCJYRJSA-N 0 1 296.351 3.705 20 0 CHADMN C[C@@H](N(C)Cc1ccn(CCc2ccccc2)n1)C1(C)CC1 ZINC000450491947 1125045459 /nfs/dbraw/zinc/04/54/59/1125045459.db2.gz YTRBKOGKENYPOS-MRXNPFEDSA-N 0 1 297.446 3.746 20 0 CHADMN C[C@@]1(CNCc2nc3ccccc3o2)CC1(Cl)Cl ZINC000877564515 1125046084 /nfs/dbraw/zinc/04/60/84/1125046084.db2.gz CTCNAAYTSKYUON-LBPRGKRZSA-N 0 1 285.174 3.501 20 0 CHADMN CCc1ccc([C@H](NCc2cnns2)C(C)C)cc1 ZINC000450506697 1125047601 /nfs/dbraw/zinc/04/76/01/1125047601.db2.gz MEDRQCKETYKDRX-OAHLLOKOSA-N 0 1 275.421 3.587 20 0 CHADMN FC1CC2(C1)CN(Cc1cc3nc(Cl)ccc3s1)C2 ZINC000877581116 1125048360 /nfs/dbraw/zinc/04/83/60/1125048360.db2.gz OEIGMLQFIKJVDU-UHFFFAOYSA-N 0 1 296.798 3.884 20 0 CHADMN FC1(F)C[C@]12CCN(Cc1cc3c(ccnc3Cl)o1)C2 ZINC000877616082 1125053196 /nfs/dbraw/zinc/05/31/96/1125053196.db2.gz CKRHPTJLDQLGTD-ZDUSSCGKSA-N 0 1 298.720 3.712 20 0 CHADMN Cc1cc(NCCC(C)(F)F)c2cc(F)ccc2n1 ZINC000450551390 1125058476 /nfs/dbraw/zinc/05/84/76/1125058476.db2.gz DMRLZJHUTZIRHR-UHFFFAOYSA-N 0 1 268.282 3.561 20 0 CHADMN CC(C)c1ncc(CN2CC(c3ccccc3)C2)s1 ZINC000877666157 1125061237 /nfs/dbraw/zinc/06/12/37/1125061237.db2.gz YITZAWGWEYNNID-UHFFFAOYSA-N 0 1 272.417 3.866 20 0 CHADMN Clc1ccc2nc(SCC[C@H]3CCOC3)[nH]c2c1 ZINC000450580441 1125062251 /nfs/dbraw/zinc/06/22/51/1125062251.db2.gz FXTMEWXCILWZQK-SECBINFHSA-N 0 1 282.796 3.735 20 0 CHADMN Cc1ccc(CNCc2ccc3c(c2)COC(C)(C)O3)o1 ZINC000877698445 1125063986 /nfs/dbraw/zinc/06/39/86/1125063986.db2.gz VFZYQSJKHWRNKV-UHFFFAOYSA-N 0 1 287.359 3.523 20 0 CHADMN CCC(CC)(CNCc1cc(F)ncc1F)C(F)(F)F ZINC000877707996 1125066122 /nfs/dbraw/zinc/06/61/22/1125066122.db2.gz WXXDZEHPJLPWPS-UHFFFAOYSA-N 0 1 296.283 3.818 20 0 CHADMN COc1cc(CN(C)[C@H](C)c2cccnc2)ccc1Cl ZINC000450631543 1125075080 /nfs/dbraw/zinc/07/50/80/1125075080.db2.gz YKNCGEANFDFTRT-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN CCc1ccc(C2=CCN(Cc3cccnc3N)CC2)cc1 ZINC000450646208 1125076794 /nfs/dbraw/zinc/07/67/94/1125076794.db2.gz RARKYPITDISBIZ-UHFFFAOYSA-N 0 1 293.414 3.516 20 0 CHADMN CCN(Cc1ccncc1)Cc1ccc(Cl)c(OC)c1 ZINC000450654575 1125078161 /nfs/dbraw/zinc/07/81/61/1125078161.db2.gz HZNSOHOWXUFGSD-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN CC(C)(C)[C@@H]1C[C@H](NCc2ncc(Cl)s2)CS1 ZINC000877806718 1125082736 /nfs/dbraw/zinc/08/27/36/1125082736.db2.gz JQBFYIKYKWNUMC-IUCAKERBSA-N 0 1 290.885 3.806 20 0 CHADMN COc1ccsc1CN1CC[C@@](C)(C(F)(F)F)C1 ZINC000877812268 1125082756 /nfs/dbraw/zinc/08/27/56/1125082756.db2.gz LCJCHWPUYNCTRY-LLVKDONJSA-N 0 1 279.327 3.531 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cccc(C)n2)cc1 ZINC000450681513 1125085121 /nfs/dbraw/zinc/08/51/21/1125085121.db2.gz OBNZVXCPGLCDPG-UHFFFAOYSA-N 0 1 268.404 3.977 20 0 CHADMN COc1cc2c(cc1F)CN(C[C@@H]1CCC(F)(F)C1)CC2 ZINC000450698461 1125090528 /nfs/dbraw/zinc/09/05/28/1125090528.db2.gz JGVWCXCNJUDJLG-LLVKDONJSA-N 0 1 299.336 3.628 20 0 CHADMN CCC(=O)CCCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000450751870 1125102063 /nfs/dbraw/zinc/10/20/63/1125102063.db2.gz FYXFCMJPLFDSRZ-GFCCVEGCSA-N 0 1 281.346 3.513 20 0 CHADMN Cc1nc(CN(C)C2CCCC2)sc1Br ZINC000877924741 1125102696 /nfs/dbraw/zinc/10/26/96/1125102696.db2.gz DCUIDRWCGYNJAF-UHFFFAOYSA-N 0 1 289.242 3.588 20 0 CHADMN CCc1nnc(SCC/C=C/c2ccccc2)[nH]1 ZINC000450775436 1125105084 /nfs/dbraw/zinc/10/50/84/1125105084.db2.gz KPEUNOPDTCNCEK-UXBLZVDNSA-N 0 1 259.378 3.563 20 0 CHADMN CCc1n[nH]c(SCC/C=C/c2ccccc2)n1 ZINC000450775436 1125105088 /nfs/dbraw/zinc/10/50/88/1125105088.db2.gz KPEUNOPDTCNCEK-UXBLZVDNSA-N 0 1 259.378 3.563 20 0 CHADMN CCC[C@H](C)N(C)Cc1coc(-c2ccccc2OC)n1 ZINC000877954384 1125105278 /nfs/dbraw/zinc/10/52/78/1125105278.db2.gz XBLNVLOMQROQFD-ZDUSSCGKSA-N 0 1 288.391 3.971 20 0 CHADMN C[C@@H](CN(C)Cc1nccn1C(F)F)CC(C)(C)C ZINC000877958555 1125106752 /nfs/dbraw/zinc/10/67/52/1125106752.db2.gz WLFFYHGFRLGOQA-LLVKDONJSA-N 0 1 273.371 3.782 20 0 CHADMN Cc1conc1CN(Cc1ccccc1)[C@H](C)C1CC1 ZINC000877964544 1125106992 /nfs/dbraw/zinc/10/69/92/1125106992.db2.gz QNFQQMMECPOOKS-CQSZACIVSA-N 0 1 270.376 3.784 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878064373 1125117589 /nfs/dbraw/zinc/11/75/89/1125117589.db2.gz RRZUQKXSLZWKKX-SJCJKPOMSA-N 0 1 297.402 3.838 20 0 CHADMN C[C@@H](C1CC1)N(Cc1ccn(-c2ccccc2)n1)C1CC1 ZINC000129991623 1125119568 /nfs/dbraw/zinc/11/95/68/1125119568.db2.gz XTPGKUUEBXCCPJ-AWEZNQCLSA-N 0 1 281.403 3.635 20 0 CHADMN CCN(Cc1ccccn1)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878185588 1125129558 /nfs/dbraw/zinc/12/95/58/1125129558.db2.gz ASEKKMKNMBDWAN-MOPGFXCFSA-N 0 1 296.414 3.824 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1CCCCc1ccccc1 ZINC000530175160 1125130322 /nfs/dbraw/zinc/13/03/22/1125130322.db2.gz FKKBVDHSAPKMHU-SCAQPMJSSA-N 0 1 289.419 3.583 20 0 CHADMN Cc1cccc(CN(C)C[C@@H]2CC[C@H](c3ccccc3)O2)n1 ZINC000878254876 1125135676 /nfs/dbraw/zinc/13/56/76/1125135676.db2.gz IPPPLMDHZZMRDR-RBUKOAKNSA-N 0 1 296.414 3.742 20 0 CHADMN Cc1csc(C(C)(C)NC[C@H]2CCCC(C)(C)O2)n1 ZINC000878250032 1125135987 /nfs/dbraw/zinc/13/59/87/1125135987.db2.gz XFXOPHSXFQZQIE-GFCCVEGCSA-N 0 1 282.453 3.624 20 0 CHADMN C[C@H](c1ccccn1)N(C)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878313690 1125140284 /nfs/dbraw/zinc/14/02/84/1125140284.db2.gz JMBAAZBYFWNYSB-SZVBFZGTSA-N 0 1 296.414 3.995 20 0 CHADMN C[C@H](c1ccccn1)N(C)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878313687 1125140648 /nfs/dbraw/zinc/14/06/48/1125140648.db2.gz JMBAAZBYFWNYSB-AYBZRNKSSA-N 0 1 296.414 3.995 20 0 CHADMN COc1cccc(CNCc2ccc(C(C)(C)C)s2)n1 ZINC000127062260 1125142982 /nfs/dbraw/zinc/14/29/82/1125142982.db2.gz JARFELXQTOIKIL-UHFFFAOYSA-N 0 1 290.432 3.739 20 0 CHADMN C[C@@]1(F)CCN(C/C=C/c2ccc(Cl)cc2)C1 ZINC000530336501 1125144132 /nfs/dbraw/zinc/14/41/32/1125144132.db2.gz YDBHNUJNUCUSEW-BAABZTOOSA-N 0 1 253.748 3.787 20 0 CHADMN C[C@@]1(F)CC[N@@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000530336501 1125144130 /nfs/dbraw/zinc/14/41/30/1125144130.db2.gz YDBHNUJNUCUSEW-BAABZTOOSA-N 0 1 253.748 3.787 20 0 CHADMN CC[C@](C)(NCc1nccn1CC(F)F)c1ccccc1 ZINC000878361392 1125144342 /nfs/dbraw/zinc/14/43/42/1125144342.db2.gz AANZJBLQAFASQP-INIZCTEOSA-N 0 1 293.361 3.563 20 0 CHADMN CCOC(=O)c1cc2ccc(-c3ccc(F)cc3)[nH]c-2n1 ZINC001239473499 1131334708 /nfs/dbraw/zinc/33/47/08/1131334708.db2.gz ZOEPMGCZAMFNRQ-UHFFFAOYSA-N 0 1 284.290 3.546 20 0 CHADMN C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCCOC(F)(F)F ZINC000878392693 1125147657 /nfs/dbraw/zinc/14/76/57/1125147657.db2.gz PXZTVNHHIBAGGR-BDAKNGLRSA-N 0 1 293.251 3.576 20 0 CHADMN C[C@@H]1CC[C@H](C(F)(F)F)CN1CCCOC(F)(F)F ZINC000878392693 1125147658 /nfs/dbraw/zinc/14/76/58/1125147658.db2.gz PXZTVNHHIBAGGR-BDAKNGLRSA-N 0 1 293.251 3.576 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cnccc2C)nc1Cl ZINC000878403526 1125148856 /nfs/dbraw/zinc/14/88/56/1125148856.db2.gz QPEUNUXFYZDCEE-GFCCVEGCSA-N 0 1 275.783 3.598 20 0 CHADMN C=C/C=C/CCN[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000878424455 1125153612 /nfs/dbraw/zinc/15/36/12/1125153612.db2.gz RCMNTJTUYZSVGR-ZYOFXKKJSA-N 0 1 287.338 3.659 20 0 CHADMN CC1(C)CCCC[C@@H]1NCc1nc2c(o1)CCCC2 ZINC000878448488 1125154634 /nfs/dbraw/zinc/15/46/34/1125154634.db2.gz ZZYVPRORXCDJNZ-AWEZNQCLSA-N 0 1 262.397 3.612 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2cccc(C)n2)c1 ZINC000127196368 1125161593 /nfs/dbraw/zinc/16/15/93/1125161593.db2.gz LBYMECZRIOWRGG-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN Cn1cccc1[C@H]1CCCCN1Cc1ccccc1F ZINC000530627464 1125168984 /nfs/dbraw/zinc/16/89/84/1125168984.db2.gz YUNMYCJDYDLJOG-QGZVFWFLSA-N 0 1 272.367 3.891 20 0 CHADMN COC[C@H](NCc1ccc(F)c(C)c1)c1ccc(F)cc1 ZINC000530729070 1125174453 /nfs/dbraw/zinc/17/44/53/1125174453.db2.gz BUSGGHITWRLKHP-KRWDZBQOSA-N 0 1 291.341 3.751 20 0 CHADMN C[C@H](NCc1ccnn1CC1CCC1)c1ccsc1 ZINC000631128514 1125181647 /nfs/dbraw/zinc/18/16/47/1125181647.db2.gz NMMSSTWKLKIHSY-LBPRGKRZSA-N 0 1 275.421 3.596 20 0 CHADMN Fc1ccc([C@@H]2CCN2C[C@H]2CC3(CCC3)CO2)cc1 ZINC000878921250 1125186165 /nfs/dbraw/zinc/18/61/65/1125186165.db2.gz OGBMQFXOPRBZFQ-CVEARBPZSA-N 0 1 275.367 3.532 20 0 CHADMN Fc1ccc([C@@H]2CCN2C[C@@H]2CCC3(CCC3)O2)cc1 ZINC000878921036 1125186558 /nfs/dbraw/zinc/18/65/58/1125186558.db2.gz LEJBOSJYKGQCSK-HOTGVXAUSA-N 0 1 275.367 3.674 20 0 CHADMN CC(C)OC1CCN(Cc2ccccc2Cl)CC1 ZINC000530925947 1125188402 /nfs/dbraw/zinc/18/84/02/1125188402.db2.gz YZBLJLNYDRKXIZ-UHFFFAOYSA-N 0 1 267.800 3.729 20 0 CHADMN CC(C)n1ccnc1CN1CC[C@@H](C)[C@H]2CCCC[C@H]21 ZINC000530971545 1125189381 /nfs/dbraw/zinc/18/93/81/1125189381.db2.gz UDNKSPGTTNLNAD-BZUAXINKSA-N 0 1 275.440 3.865 20 0 CHADMN CC1(C)C[N@@H+](C[C@H]2CCC(C)(C)CO2)[C@H]1c1ccncc1 ZINC000879009571 1125191396 /nfs/dbraw/zinc/19/13/96/1125191396.db2.gz AMBHVFAEQWETNC-CVEARBPZSA-N 0 1 288.435 3.670 20 0 CHADMN CC1(C)CN(C[C@H]2CCC(C)(C)CO2)[C@H]1c1ccncc1 ZINC000879009571 1125191399 /nfs/dbraw/zinc/19/13/99/1125191399.db2.gz AMBHVFAEQWETNC-CVEARBPZSA-N 0 1 288.435 3.670 20 0 CHADMN Cc1csc([C@@H](C)NC/C=C/c2ccc(F)cc2)n1 ZINC000127578909 1125202306 /nfs/dbraw/zinc/20/23/06/1125202306.db2.gz UXVBFBRZEZXSFC-AAOUONPWSA-N 0 1 276.380 3.955 20 0 CHADMN Cc1cccc2c(CN3Cc4ccccc4[C@H](C)C3)[nH]nc21 ZINC001137141600 1125202856 /nfs/dbraw/zinc/20/28/56/1125202856.db2.gz BOLCEDWLZOWXQV-CQSZACIVSA-N 0 1 291.398 3.991 20 0 CHADMN Cc1coc(C(=O)Nc2cccc3c2CN(CC(C)C)C3)c1 ZINC000879234616 1125203833 /nfs/dbraw/zinc/20/38/33/1125203833.db2.gz AWMVDUWPCSMSQU-UHFFFAOYSA-N 0 1 298.386 3.812 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(N3CCCC3)nc2)oc1C ZINC000282033918 1125206317 /nfs/dbraw/zinc/20/63/17/1125206317.db2.gz FQDBYNICRLIRCC-AWEZNQCLSA-N 0 1 299.418 3.742 20 0 CHADMN F[C@@]1(c2ccccc2)CCCN(CCc2ccccn2)C1 ZINC000879478083 1125216522 /nfs/dbraw/zinc/21/65/22/1125216522.db2.gz METFBGSGAHZREG-SFHVURJKSA-N 0 1 284.378 3.585 20 0 CHADMN Cc1cncc(CNCc2cccn2CCC(C)C)c1 ZINC000122984644 1125217164 /nfs/dbraw/zinc/21/71/64/1125217164.db2.gz XAYWKKWXNDBBTM-UHFFFAOYSA-N 0 1 271.408 3.527 20 0 CHADMN Cc1cnc(CN2CC[C@H](c3ccccc3F)C2(C)C)nc1 ZINC000879640736 1125222580 /nfs/dbraw/zinc/22/25/80/1125222580.db2.gz NGKISUZLGJWERN-OAHLLOKOSA-N 0 1 299.393 3.692 20 0 CHADMN Fc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1F ZINC000531470602 1125223555 /nfs/dbraw/zinc/22/35/55/1125223555.db2.gz NQHMDJYQEBNHMX-HUUCEWRRSA-N 0 1 283.387 3.825 20 0 CHADMN Fc1ccc(CN2CCS[C@@H]3CCCC[C@H]32)cc1F ZINC000531470602 1125223557 /nfs/dbraw/zinc/22/35/57/1125223557.db2.gz NQHMDJYQEBNHMX-HUUCEWRRSA-N 0 1 283.387 3.825 20 0 CHADMN Cc1ccc(-c2noc(CN(C)[C@@H](C)C3(C)CC3)n2)cc1 ZINC000531470246 1125223997 /nfs/dbraw/zinc/22/39/97/1125223997.db2.gz OBGPSDKJBPFWBH-ZDUSSCGKSA-N 0 1 285.391 3.665 20 0 CHADMN CC[C@H](N[C@H](C)c1cccc(CO)c1)c1c(C)noc1C ZINC000305783506 1125224713 /nfs/dbraw/zinc/22/47/13/1125224713.db2.gz QJGIWHRCRIUCMJ-BZNIZROVSA-N 0 1 288.391 3.586 20 0 CHADMN Cc1c(Cl)ccc2c1CN(C1CC(OC(C)C)C1)CC2 ZINC000879768842 1125233491 /nfs/dbraw/zinc/23/34/91/1125233491.db2.gz JZCJPOKJRJTZRE-UHFFFAOYSA-N 0 1 293.838 3.963 20 0 CHADMN COc1ccnc([C@@H](C)N[C@H](C)c2ccc(C)c(F)c2)c1 ZINC000925254896 1125246674 /nfs/dbraw/zinc/24/66/74/1125246674.db2.gz RZRKFSHENCTGIB-CHWSQXEVSA-N 0 1 288.366 3.950 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2c(F)c(F)cc(F)c2F)CS1 ZINC000655731109 1125255562 /nfs/dbraw/zinc/25/55/62/1125255562.db2.gz ORSCSUVWWFULAO-HTQZYQBOSA-N 0 1 293.329 3.617 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H](CF)C1 ZINC000880237201 1125258676 /nfs/dbraw/zinc/25/86/76/1125258676.db2.gz SUGNHQIVPRTCLC-NWDGAFQWSA-N 0 1 262.328 3.570 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)N1CCC[C@H](CF)C1 ZINC000880237201 1125258678 /nfs/dbraw/zinc/25/86/78/1125258678.db2.gz SUGNHQIVPRTCLC-NWDGAFQWSA-N 0 1 262.328 3.570 20 0 CHADMN FC[C@H]1CCN(Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000880291344 1125262567 /nfs/dbraw/zinc/26/25/67/1125262567.db2.gz DWYRTVYPRVMHFN-LLVKDONJSA-N 0 1 294.370 3.741 20 0 CHADMN Cc1ccc(-c2csc(CN3CC[C@H](CF)C3)n2)cc1 ZINC000880299426 1125263156 /nfs/dbraw/zinc/26/31/56/1125263156.db2.gz HPKRVGVMEWIYPK-CYBMUJFWSA-N 0 1 290.407 3.910 20 0 CHADMN FC[C@@H]1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000880291275 1125263505 /nfs/dbraw/zinc/26/35/05/1125263505.db2.gz KQAQPPONTNEIBC-NSHDSACASA-N 0 1 294.757 3.786 20 0 CHADMN FC[C@H]1CCN(Cc2csc(-c3ccsc3)n2)C1 ZINC000880294761 1125263555 /nfs/dbraw/zinc/26/35/55/1125263555.db2.gz YQLHUTWGEWKHNI-SNVBAGLBSA-N 0 1 282.409 3.663 20 0 CHADMN FC[C@H]1CCN(Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000880296070 1125263701 /nfs/dbraw/zinc/26/37/01/1125263701.db2.gz TVYIJJYNZSPFRE-LLVKDONJSA-N 0 1 294.757 3.786 20 0 CHADMN Fc1cccc(CN2CC[C@H](c3nccs3)C2)c1Cl ZINC000880320349 1125266139 /nfs/dbraw/zinc/26/61/39/1125266139.db2.gz SOCLCWSFAKLQIV-NSHDSACASA-N 0 1 296.798 3.925 20 0 CHADMN CCc1coc(CN[C@H](C)Cc2ccc(Cl)cc2)n1 ZINC001168149706 1125266284 /nfs/dbraw/zinc/26/62/84/1125266284.db2.gz NPHKJBXGJFMHGA-LLVKDONJSA-N 0 1 278.783 3.611 20 0 CHADMN Cc1ccc(NC(=O)CN(Cc2ccccc2)C(C)C)cc1 ZINC000010928418 1125266341 /nfs/dbraw/zinc/26/63/41/1125266341.db2.gz ZAAFDJMFNFCJRD-UHFFFAOYSA-N 0 1 296.414 3.844 20 0 CHADMN Cc1csc(CN2CCN(c3cccc(C)c3)CC2)c1 ZINC001137152621 1125266716 /nfs/dbraw/zinc/26/67/16/1125266716.db2.gz WBFLJULROMAYSA-UHFFFAOYSA-N 0 1 286.444 3.687 20 0 CHADMN CCC(C)=C(C)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000841442943 1125267320 /nfs/dbraw/zinc/26/73/20/1125267320.db2.gz GAQQSNJYHHQWGL-LUAWRHEFSA-N 0 1 287.363 3.971 20 0 CHADMN C[C@]1(c2ccccc2)CCCN1Cc1nccs1 ZINC000880371901 1125267875 /nfs/dbraw/zinc/26/78/75/1125267875.db2.gz PSAZXPNTGRPSDM-OAHLLOKOSA-N 0 1 258.390 3.654 20 0 CHADMN C[C@@H](CNC1(c2ncccn2)CCC1)CC(C)(C)C ZINC000880368288 1125268552 /nfs/dbraw/zinc/26/85/52/1125268552.db2.gz VRGVXVVDADBSKZ-CYBMUJFWSA-N 0 1 261.413 3.518 20 0 CHADMN Cc1cnccc1CN1CCc2ccsc2[C@@H]1C ZINC000880377038 1125270250 /nfs/dbraw/zinc/27/02/50/1125270250.db2.gz XRKJRSQOFOJBOP-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN Cc1ccccc1-c1nc(C[N@H+]2C[C@H](C)C[C@H](C)[C@H]2C)no1 ZINC000475730811 1125281907 /nfs/dbraw/zinc/28/19/07/1125281907.db2.gz ASIZHGHTVNNMNE-VHDGCEQUSA-N 0 1 299.418 3.911 20 0 CHADMN Cc1ccccc1-c1nc(CN2C[C@H](C)C[C@H](C)[C@H]2C)no1 ZINC000475730811 1125281911 /nfs/dbraw/zinc/28/19/11/1125281911.db2.gz ASIZHGHTVNNMNE-VHDGCEQUSA-N 0 1 299.418 3.911 20 0 CHADMN CC[C@]1(C)CCN([C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC001168163407 1125299761 /nfs/dbraw/zinc/29/97/61/1125299761.db2.gz MTQMFOYFFNSEEN-CXAGYDPISA-N 0 1 292.398 3.583 20 0 CHADMN c1ccc(Oc2ccc(-c3ncc4c(n3)CNC4)cc2)cc1 ZINC001239493482 1131346039 /nfs/dbraw/zinc/34/60/39/1131346039.db2.gz RMDJLSQDANFSSS-UHFFFAOYSA-N 0 1 289.338 3.539 20 0 CHADMN CCCCCc1cc(C(=O)N(C)[C@H](C)c2ccco2)n[nH]1 ZINC000666169590 1125305385 /nfs/dbraw/zinc/30/53/85/1125305385.db2.gz FLAZGTMZYUCMAF-GFCCVEGCSA-N 0 1 289.379 3.569 20 0 CHADMN C[C@H](NCc1ccc(C2CC2)cc1)c1cncc(F)c1 ZINC000188721173 1125308660 /nfs/dbraw/zinc/30/86/60/1125308660.db2.gz PXJPXSIZYNJEOG-LBPRGKRZSA-N 0 1 270.351 3.949 20 0 CHADMN CC(C)(C)c1ccncc1CN[C@@H]1CCCc2cccnc21 ZINC000666206937 1125316299 /nfs/dbraw/zinc/31/62/99/1125316299.db2.gz JLRCCVOUJZVIAY-QGZVFWFLSA-N 0 1 295.430 3.941 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(CCn1cccn1)C1CC1 ZINC000064142158 1125319660 /nfs/dbraw/zinc/31/96/60/1125319660.db2.gz VEHSVDIRFQEOOJ-ZDUSSCGKSA-N 0 1 289.810 3.762 20 0 CHADMN Cc1ncsc1CN(C)C[C@@H]1CCC2(CCCCC2)O1 ZINC000190967049 1125320897 /nfs/dbraw/zinc/32/08/97/1125320897.db2.gz DULAPXINLFJUPD-AWEZNQCLSA-N 0 1 294.464 3.765 20 0 CHADMN C[C@H](c1ccccn1)N1CC2(CCCC2)OC(C)(C)C1 ZINC000190966365 1125321196 /nfs/dbraw/zinc/32/11/96/1125321196.db2.gz VHMRYOMHVIPZTF-CQSZACIVSA-N 0 1 274.408 3.566 20 0 CHADMN C[C@H]1CCSCCN1Cc1ccccc1OC(F)F ZINC000191815781 1125327403 /nfs/dbraw/zinc/32/74/03/1125327403.db2.gz BOFFZWNQKMWVFK-NSHDSACASA-N 0 1 287.375 3.615 20 0 CHADMN COc1ccc(CN2CCSCC[C@@H]2C)cc1Cl ZINC000191812921 1125327414 /nfs/dbraw/zinc/32/74/14/1125327414.db2.gz CITCCXQUYZVSML-NSHDSACASA-N 0 1 285.840 3.676 20 0 CHADMN C(Sc1nc(C2CC2)n[nH]1)[C@@H]1CCC2(CCCCC2)O1 ZINC000191735319 1125327517 /nfs/dbraw/zinc/32/75/17/1125327517.db2.gz HJXSSISQXKDVJM-LBPRGKRZSA-N 0 1 293.436 3.656 20 0 CHADMN C(Sc1n[nH]c(C2CC2)n1)[C@@H]1CCC2(CCCCC2)O1 ZINC000191735319 1125327520 /nfs/dbraw/zinc/32/75/20/1125327520.db2.gz HJXSSISQXKDVJM-LBPRGKRZSA-N 0 1 293.436 3.656 20 0 CHADMN Cc1noc(C)c1CN1CCc2c(cccc2C(C)C)C1 ZINC000191891633 1125328342 /nfs/dbraw/zinc/32/83/42/1125328342.db2.gz GTWUUXCISOUBOZ-UHFFFAOYSA-N 0 1 284.403 3.973 20 0 CHADMN CCOC(=O)c1csc([C@H]2CCCN2C[C@@H](C)CC)n1 ZINC000191825923 1125329738 /nfs/dbraw/zinc/32/97/38/1125329738.db2.gz PEKWAEAEVBSNGW-WCQYABFASA-N 0 1 296.436 3.503 20 0 CHADMN c1cn2cc(C[N@@H+]3CCC[C@H]3Cc3ccccc3)nc2s1 ZINC000064344891 1125330677 /nfs/dbraw/zinc/33/06/77/1125330677.db2.gz AYLTUZXNGSCRHS-INIZCTEOSA-N 0 1 297.427 3.603 20 0 CHADMN c1sc(C2CC2)nc1CNCC[C@@H]1CCC2(CCC2)O1 ZINC000717140462 1125330729 /nfs/dbraw/zinc/33/07/29/1125330729.db2.gz VLZSMCPEPXWTFZ-AWEZNQCLSA-N 0 1 292.448 3.602 20 0 CHADMN c1ccc(CCC[C@H]2CCC[N@@H+](Cc3ncccn3)C2)cc1 ZINC000192122943 1125331148 /nfs/dbraw/zinc/33/11/48/1125331148.db2.gz AXQUJNRPLSFGPN-SFHVURJKSA-N 0 1 295.430 3.712 20 0 CHADMN c1ccc(CCC[C@H]2CCCN(Cc3ncccn3)C2)cc1 ZINC000192122943 1125331150 /nfs/dbraw/zinc/33/11/50/1125331150.db2.gz AXQUJNRPLSFGPN-SFHVURJKSA-N 0 1 295.430 3.712 20 0 CHADMN F[C@@H]1CN(Cc2cccc3cccnc32)CCCC1(F)F ZINC001137171957 1125331307 /nfs/dbraw/zinc/33/13/07/1125331307.db2.gz LBTARVXMVVNDKT-CQSZACIVSA-N 0 1 294.320 3.804 20 0 CHADMN CC1(C)CC(CN2CCc3ccc(F)c(F)c3C2)C1 ZINC001168175558 1125331811 /nfs/dbraw/zinc/33/18/11/1125331811.db2.gz OEQUJGOKLJHHHU-UHFFFAOYSA-N 0 1 265.347 3.759 20 0 CHADMN CC(C)(C)c1n[nH]c(SC[C@@H]2CC(C)(C)OC2(C)C)n1 ZINC000882088323 1125334489 /nfs/dbraw/zinc/33/44/89/1125334489.db2.gz DZVODUVQKKZJPX-JTQLQIEISA-N 0 1 297.468 3.788 20 0 CHADMN CC(C)(C)c1nc(SC[C@@H]2CC(C)(C)OC2(C)C)n[nH]1 ZINC000882088323 1125334490 /nfs/dbraw/zinc/33/44/90/1125334490.db2.gz DZVODUVQKKZJPX-JTQLQIEISA-N 0 1 297.468 3.788 20 0 CHADMN CC(C)CCC[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000025345721 1125336261 /nfs/dbraw/zinc/33/62/61/1125336261.db2.gz OKLLONZEFXRGQS-LBPRGKRZSA-N 0 1 273.380 3.508 20 0 CHADMN COC(=O)c1ccc(CN([C@H](C)c2ccco2)C2CC2)cc1 ZINC000086235194 1125337877 /nfs/dbraw/zinc/33/78/77/1125337877.db2.gz HTGKAQXLNGBJSZ-CYBMUJFWSA-N 0 1 299.370 3.792 20 0 CHADMN Cc1nc([C@@H](C)Nc2nc3c(cc(C)cc3C)s2)n[nH]1 ZINC000882357986 1125344091 /nfs/dbraw/zinc/34/40/91/1125344091.db2.gz OHFHFVGAPWJVNN-SECBINFHSA-N 0 1 287.392 3.513 20 0 CHADMN C[C@@H](NCc1ccno1)c1cccc2ccccc21 ZINC000219364767 1125354679 /nfs/dbraw/zinc/35/46/79/1125354679.db2.gz LIWHSNPEDVPFIP-GFCCVEGCSA-N 0 1 252.317 3.679 20 0 CHADMN CC(C)c1cc(C(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)n[nH]1 ZINC000882749237 1125355151 /nfs/dbraw/zinc/35/51/51/1125355151.db2.gz QRVPQVQHNXZRKP-SJCJKPOMSA-N 0 1 295.386 3.608 20 0 CHADMN CC(C)c1c[nH]c(CN[C@@H](c2ccccc2)C2CC2)n1 ZINC000882881356 1125359577 /nfs/dbraw/zinc/35/95/77/1125359577.db2.gz JNWZSAWVEXGHDP-KRWDZBQOSA-N 0 1 269.392 3.774 20 0 CHADMN Nc1c(Cl)cccc1CN[C@@H]1CCCc2occc21 ZINC000882888452 1125360567 /nfs/dbraw/zinc/36/05/67/1125360567.db2.gz ZYSZAIYUUXOROE-CYBMUJFWSA-N 0 1 276.767 3.682 20 0 CHADMN COc1cc(C)ccc1[C@H](C)N[C@@H](C)c1cccnc1 ZINC000037229020 1125364594 /nfs/dbraw/zinc/36/45/94/1125364594.db2.gz PZFAGSNICPBJSB-KBPBESRZSA-N 0 1 270.376 3.810 20 0 CHADMN CC[N@@H+](Cc1c(C(=O)[O-])sc2cccc(F)c21)C1CC1 ZINC000037080198 1125365532 /nfs/dbraw/zinc/36/55/32/1125365532.db2.gz GYRFGVGYCTWSIB-UHFFFAOYSA-N 0 1 293.363 3.723 20 0 CHADMN FC1(F)CCC[C@@H]1CCOc1ccccc1-c1nnc[nH]1 ZINC000882984864 1125365574 /nfs/dbraw/zinc/36/55/74/1125365574.db2.gz WFZKTHZKPYVICD-LLVKDONJSA-N 0 1 293.317 3.676 20 0 CHADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000263518875 1125367843 /nfs/dbraw/zinc/36/78/43/1125367843.db2.gz PYBPZYQJLCKTHQ-NWDGAFQWSA-N 0 1 295.448 3.731 20 0 CHADMN CC(C)c1c[nH]c(CNCCc2cc3ccccc3o2)n1 ZINC000883015727 1125368240 /nfs/dbraw/zinc/36/82/40/1125368240.db2.gz AMAODFGLVAGXGU-UHFFFAOYSA-N 0 1 283.375 3.612 20 0 CHADMN Cc1noc(C)c1CN(C)[C@H]1CCCc2ccc(F)cc21 ZINC000130736181 1125368307 /nfs/dbraw/zinc/36/83/07/1125368307.db2.gz AOIHQMHIJBWAQK-KRWDZBQOSA-N 0 1 288.366 3.940 20 0 CHADMN Nc1c(Cl)cccc1CNC1(c2cccc(F)c2)CC1 ZINC000883015831 1125368446 /nfs/dbraw/zinc/36/84/46/1125368446.db2.gz FNSXKKITRLCWGY-UHFFFAOYSA-N 0 1 290.769 3.840 20 0 CHADMN OCC[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000051895593 1125368720 /nfs/dbraw/zinc/36/87/20/1125368720.db2.gz OUIXVGOJIZBVET-LLVKDONJSA-N 0 1 288.218 3.588 20 0 CHADMN CC(C)c1c[nH]c(CN[C@H](CC(F)(F)F)C(C)C)n1 ZINC000883099351 1125371192 /nfs/dbraw/zinc/37/11/92/1125371192.db2.gz RVDPJIUQKAJLTB-SNVBAGLBSA-N 0 1 277.334 3.600 20 0 CHADMN CCC(F)(F)C(C)(C)CNCc1nc(C(C)C)c[nH]1 ZINC000883190252 1125375684 /nfs/dbraw/zinc/37/56/84/1125375684.db2.gz YOGAROQYOMJVQT-UHFFFAOYSA-N 0 1 273.371 3.694 20 0 CHADMN CC(C)(C)c1ccc(CNCc2cccc3c2CCOC3)o1 ZINC000883199874 1125376813 /nfs/dbraw/zinc/37/68/13/1125376813.db2.gz SFWPMPVKKKTTQM-UHFFFAOYSA-N 0 1 299.414 3.940 20 0 CHADMN Cc1cn[nH]c1CNc1nc2ccccc2n1C1CCCC1 ZINC000883215023 1125378455 /nfs/dbraw/zinc/37/84/55/1125378455.db2.gz QNTPOQVYXDYTKP-UHFFFAOYSA-N 0 1 295.390 3.795 20 0 CHADMN C/C=C/C[C@@H]1CCCN([C@H](C)c2nnc(C)s2)C1 ZINC000626162900 1125380741 /nfs/dbraw/zinc/38/07/41/1125380741.db2.gz AIOGQVHIQVXBLD-WPCUQIPDSA-N 0 1 265.426 3.586 20 0 CHADMN C/C=C/C[C@@H]1CCCN(Cc2ccn(C(C)C)n2)C1 ZINC000626162637 1125380974 /nfs/dbraw/zinc/38/09/74/1125380974.db2.gz XBBBBQITXSGCBK-MBVDDHJVSA-N 0 1 261.413 3.642 20 0 CHADMN CCSc1ccc(CNCc2cc(OC)ns2)cc1 ZINC000883235390 1125382167 /nfs/dbraw/zinc/38/21/67/1125382167.db2.gz BHPCZPVRSIGRRV-UHFFFAOYSA-N 0 1 294.445 3.554 20 0 CHADMN CC(C)c1cnc(CNC[C@@H]2CCC(C)(C)CO2)s1 ZINC000883243796 1125382724 /nfs/dbraw/zinc/38/27/24/1125382724.db2.gz XYGJZTZGCJSZDV-LBPRGKRZSA-N 0 1 282.453 3.561 20 0 CHADMN C/C=C\C[C@@H]1CCCN(Cc2ncc(C3CC3)o2)C1 ZINC000626164007 1125382825 /nfs/dbraw/zinc/38/28/25/1125382825.db2.gz UXGSIPCZIPVDHH-XQJDBVBESA-N 0 1 260.381 3.730 20 0 CHADMN CC(C)(CN[C@@H](c1ncc[nH]1)c1ccccc1)CC(F)F ZINC000883259453 1125387421 /nfs/dbraw/zinc/38/74/21/1125387421.db2.gz NBWKQCTXHFEORF-CQSZACIVSA-N 0 1 293.361 3.770 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1cnc(C)s1 ZINC000040997794 1125388141 /nfs/dbraw/zinc/38/81/41/1125388141.db2.gz VTCGTPCUSAAJIZ-NSHDSACASA-N 0 1 276.405 3.619 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2)C2CCC2)on1 ZINC000170919746 1125390915 /nfs/dbraw/zinc/39/09/15/1125390915.db2.gz PAVTYPDLQCJOKM-MRXNPFEDSA-N 0 1 256.349 3.614 20 0 CHADMN c1ccc2c(c1)CN(Cc1cccc3ncccc13)C2 ZINC001137623165 1125392356 /nfs/dbraw/zinc/39/23/56/1125392356.db2.gz TUJLLBLEVLDWFY-UHFFFAOYSA-N 0 1 260.340 3.751 20 0 CHADMN FC(F)(F)C1CCC(NC2(c3ncccn3)CCC2)CC1 ZINC000883311925 1125393923 /nfs/dbraw/zinc/39/39/23/1125393923.db2.gz OXAWAPAZKQVYIT-UHFFFAOYSA-N 0 1 299.340 3.567 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H](C)[C@H](C)C2)c1F ZINC001168201664 1125394673 /nfs/dbraw/zinc/39/46/73/1125394673.db2.gz LHBQRMACJCDDJE-CMPLNLGQSA-N 0 1 253.336 3.751 20 0 CHADMN CC(C)OCc1ccccc1CN[C@@H](C)c1cncs1 ZINC000532461704 1125395430 /nfs/dbraw/zinc/39/54/30/1125395430.db2.gz PXVSTJCWNRPZBB-ZDUSSCGKSA-N 0 1 290.432 3.919 20 0 CHADMN Cc1nc2c(n1Cc1cc(Cl)ccc1F)CCCC2 ZINC000231163276 1125395820 /nfs/dbraw/zinc/39/58/20/1125395820.db2.gz RKKILUBHMSNWLS-UHFFFAOYSA-N 0 1 278.758 3.911 20 0 CHADMN COc1cccc2c1OCCC[C@H]2N[C@H](C)c1cccnc1 ZINC000883330401 1125396741 /nfs/dbraw/zinc/39/67/41/1125396741.db2.gz DTFZTGDTNVMRNN-CZUORRHYSA-N 0 1 298.386 3.655 20 0 CHADMN COc1cccc2c1OCCC[C@@H]2N[C@H](C)c1ccncc1 ZINC000883330553 1125396844 /nfs/dbraw/zinc/39/68/44/1125396844.db2.gz HDFKTFRLYJPMDM-CJNGLKHVSA-N 0 1 298.386 3.655 20 0 CHADMN Cc1cc(N[C@@H](c2nnc[nH]2)C2CCCCC2)cnc1C ZINC000883342675 1125398930 /nfs/dbraw/zinc/39/89/30/1125398930.db2.gz HUHPWURAMZENHN-OAHLLOKOSA-N 0 1 285.395 3.550 20 0 CHADMN Cc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)o1 ZINC000074372414 1125401871 /nfs/dbraw/zinc/40/18/71/1125401871.db2.gz XNDRBRDUBUSMQE-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN Cc1cc2nc(-c3cccc4nccnc43)[nH]c2c(C)c1 ZINC000228294101 1125403292 /nfs/dbraw/zinc/40/32/92/1125403292.db2.gz AWTPLFYGKYDLDT-UHFFFAOYSA-N 0 1 274.327 3.790 20 0 CHADMN Cc1ccc(CN[C@](C)(CO)c2ccccc2)c(Cl)c1 ZINC000235861864 1125404573 /nfs/dbraw/zinc/40/45/73/1125404573.db2.gz GRJPZMJRVFOOKX-QGZVFWFLSA-N 0 1 289.806 3.646 20 0 CHADMN CCSCc1cccnc1NCc1ccc2nc[nH]c2c1 ZINC000883378269 1125404935 /nfs/dbraw/zinc/40/49/35/1125404935.db2.gz FRKFOSIFLAQOOZ-UHFFFAOYSA-N 0 1 298.415 3.823 20 0 CHADMN c1cc(CN2Cc3ccccc3[C@H](c3ccccc3)C2)on1 ZINC000532490472 1125405901 /nfs/dbraw/zinc/40/59/01/1125405901.db2.gz ALKDGEHJUIPBDI-IBGZPJMESA-N 0 1 290.366 3.822 20 0 CHADMN CCC[N@H+](Cc1nc(C)c2ccccc2n1)CC(C)C ZINC000532487223 1125406813 /nfs/dbraw/zinc/40/68/13/1125406813.db2.gz GNAMXUKGZNSBLA-UHFFFAOYSA-N 0 1 271.408 3.806 20 0 CHADMN COc1ccc(CNc2nc3ccccc3s2)c(C)c1 ZINC000532488649 1125407218 /nfs/dbraw/zinc/40/72/18/1125407218.db2.gz UIYYBGNPIPOIQK-UHFFFAOYSA-N 0 1 284.384 3.647 20 0 CHADMN Cc1ccccc1[C@H](CO)N[C@H](C)c1cccc(F)c1 ZINC000532550484 1125411099 /nfs/dbraw/zinc/41/10/99/1125411099.db2.gz MWFIJOBBTSAHLE-DYVFJYSZSA-N 0 1 273.351 3.518 20 0 CHADMN Cc1ccc2c(cccc2-n2c(N)nc3c2cccc3C)n1 ZINC001212794114 1125412581 /nfs/dbraw/zinc/41/25/81/1125412581.db2.gz KIMPMWCVNQELTK-UHFFFAOYSA-N 0 1 288.354 3.773 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2csc(CCC)n2)CC1 ZINC000108493701 1125414219 /nfs/dbraw/zinc/41/42/19/1125414219.db2.gz MRDVGRBVDCNLPK-OAHLLOKOSA-N 0 1 296.480 3.877 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N(C)Cc1cnn(CC)c1 ZINC000532575199 1125416406 /nfs/dbraw/zinc/41/64/06/1125416406.db2.gz CARGWMOPYAMFRO-MRXNPFEDSA-N 0 1 275.371 3.625 20 0 CHADMN CSc1ccc(NC(=O)c2cc(-c3ccco3)n[nH]2)cc1 ZINC000030565481 1125418014 /nfs/dbraw/zinc/41/80/14/1125418014.db2.gz OQUQPRIJUUSTML-UHFFFAOYSA-N 0 1 299.355 3.644 20 0 CHADMN Cc1c(NC(=O)C(C)(C)C)ccnc1NC[C@H]1C[C@H](F)C1 ZINC001168233552 1125422116 /nfs/dbraw/zinc/42/21/16/1125422116.db2.gz LGCGBHJVSCOZNQ-HAQNSBGRSA-N 0 1 293.386 3.535 20 0 CHADMN Cc1cc(C(=O)CN(C)[C@H](C)C(C)(C)C)c(C)n1C1CC1 ZINC000532929216 1125423940 /nfs/dbraw/zinc/42/39/40/1125423940.db2.gz GARRQAXZSQREGF-CQSZACIVSA-N 0 1 290.451 3.989 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000119620645 1125427303 /nfs/dbraw/zinc/42/73/03/1125427303.db2.gz IKUQQFDISNVKAI-KGLIPLIRSA-N 0 1 289.423 3.540 20 0 CHADMN C[C@@H](CC1CCCCC1)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000332971457 1125428973 /nfs/dbraw/zinc/42/89/73/1125428973.db2.gz DDZLWBIGVYWVNN-WFASDCNBSA-N 0 1 289.423 3.510 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccc(Cl)cc1)c1cccnc1 ZINC000348244502 1125429305 /nfs/dbraw/zinc/42/93/05/1125429305.db2.gz NUWPKFFKWXWZRJ-BLLLJJGKSA-N 0 1 290.794 3.509 20 0 CHADMN CC(C)NCc1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000133021035 1125430145 /nfs/dbraw/zinc/43/01/45/1125430145.db2.gz SDUIZMQUFZAABL-UHFFFAOYSA-N 0 1 286.162 3.541 20 0 CHADMN Cc1ccc(-c2nnc([C@H](C)N3CCC4(CCC4)C3)o2)cc1 ZINC000123518469 1125431075 /nfs/dbraw/zinc/43/10/75/1125431075.db2.gz ZGYHGIXRYHHXCM-AWEZNQCLSA-N 0 1 297.402 3.982 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)N1CCC2(CCC2)C1 ZINC000123565818 1125431498 /nfs/dbraw/zinc/43/14/98/1125431498.db2.gz QDCIFSACLPNRRF-NSHDSACASA-N 0 1 289.404 3.735 20 0 CHADMN Cn1cccc1C[N@@H+](C)Cc1csc2ccccc12 ZINC000123972524 1125433424 /nfs/dbraw/zinc/43/34/24/1125433424.db2.gz IXOHYJLILLDJMB-UHFFFAOYSA-N 0 1 270.401 3.872 20 0 CHADMN CN(Cc1csc2ccccc12)Cc1cccn1C ZINC000123972524 1125433427 /nfs/dbraw/zinc/43/34/27/1125433427.db2.gz IXOHYJLILLDJMB-UHFFFAOYSA-N 0 1 270.401 3.872 20 0 CHADMN CCN(Cc1ccccn1)[C@@H](C)c1cccc(F)c1 ZINC000104949221 1125434279 /nfs/dbraw/zinc/43/42/79/1125434279.db2.gz DNQGXDLFCJBFCK-ZDUSSCGKSA-N 0 1 258.340 3.804 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNCc2cccc(N(C)C)c2)o1 ZINC000105434699 1125435386 /nfs/dbraw/zinc/43/53/86/1125435386.db2.gz HDCAEYSABMECIL-SUMWQHHRSA-N 0 1 284.403 3.759 20 0 CHADMN CCCn1cc(CN2CCC[C@@H]2c2cccc(OC)c2)cn1 ZINC000124233243 1125435837 /nfs/dbraw/zinc/43/58/37/1125435837.db2.gz YWOWNQSAHFHAMR-GOSISDBHSA-N 0 1 299.418 3.639 20 0 CHADMN Cc1nc(CCN2CCc3c(Cl)cccc3C2)cs1 ZINC000124283471 1125436021 /nfs/dbraw/zinc/43/60/21/1125436021.db2.gz VZULDQPAQIIRHT-UHFFFAOYSA-N 0 1 292.835 3.706 20 0 CHADMN Cc1cnc(=S)n(CN2CCC3(C2)CCCCC3)c1 ZINC000133224478 1125437995 /nfs/dbraw/zinc/43/79/95/1125437995.db2.gz MDLKEUFCOBHOSH-UHFFFAOYSA-N 0 1 277.437 3.535 20 0 CHADMN C[C@@H](NCCn1cccn1)c1cc(Cl)ccc1Cl ZINC000042538816 1125442113 /nfs/dbraw/zinc/44/21/13/1125442113.db2.gz ZEGPIGVPAPCEHG-SNVBAGLBSA-N 0 1 284.190 3.541 20 0 CHADMN CCc1ccc(CN[C@@H]2CCCc3nc(C)sc32)o1 ZINC000779989530 1129180982 /nfs/dbraw/zinc/18/09/82/1129180982.db2.gz ZVSFMEQQFKBDCF-CYBMUJFWSA-N 0 1 276.405 3.774 20 0 CHADMN CCOc1cncc(CN(C)[C@@H](C)c2ccccc2)c1 ZINC000621709943 1129183014 /nfs/dbraw/zinc/18/30/14/1129183014.db2.gz LXXFHMMPPBIOAY-AWEZNQCLSA-N 0 1 270.376 3.673 20 0 CHADMN CCOc1cncc(CN(C)[C@H](C)c2cccs2)c1 ZINC000621712019 1129184634 /nfs/dbraw/zinc/18/46/34/1129184634.db2.gz PITQJWGAFXKWNS-GFCCVEGCSA-N 0 1 276.405 3.735 20 0 CHADMN Cc1nccnc1C[N@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000621717753 1129185225 /nfs/dbraw/zinc/18/52/25/1129185225.db2.gz MVYMVFTZDFDANA-SJCJKPOMSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1nccnc1CN1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000621717753 1129185226 /nfs/dbraw/zinc/18/52/26/1129185226.db2.gz MVYMVFTZDFDANA-SJCJKPOMSA-N 0 1 285.366 3.507 20 0 CHADMN CCOc1cncc(CN2CCc3ccccc3[C@H]2C)c1 ZINC000621715330 1129185418 /nfs/dbraw/zinc/18/54/18/1129185418.db2.gz RIEZITNPLWSBDI-CQSZACIVSA-N 0 1 282.387 3.600 20 0 CHADMN Cc1cc(F)ccc1C1CCN(Cc2nccnc2C)CC1 ZINC000621729574 1129186601 /nfs/dbraw/zinc/18/66/01/1129186601.db2.gz ZHMPAHINCLBADH-UHFFFAOYSA-N 0 1 299.393 3.612 20 0 CHADMN FC(F)Oc1ccccc1CN1CC(CC2CC2)C1 ZINC000621741279 1129190522 /nfs/dbraw/zinc/19/05/22/1129190522.db2.gz KQQJYAUXWZOQQV-UHFFFAOYSA-N 0 1 267.319 3.520 20 0 CHADMN CSC(C)(C)C[C@H](C)n1c(CN)nc2ccccc21 ZINC001258320500 1129194473 /nfs/dbraw/zinc/19/44/73/1129194473.db2.gz SJDIDEGKBUEJAM-NSHDSACASA-N 0 1 277.437 3.588 20 0 CHADMN C[C@@H]1C[C@H]1N[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000671148103 1129199852 /nfs/dbraw/zinc/19/98/52/1129199852.db2.gz XOPJBLZNCBAEQJ-CSMYWGQOSA-N 0 1 298.361 3.504 20 0 CHADMN Cc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1O)CC2 ZINC000621978767 1129211478 /nfs/dbraw/zinc/21/14/78/1129211478.db2.gz YOBAJCXOJRNJCX-UHFFFAOYSA-N 0 1 287.746 3.557 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(=O)[nH]n1)c1csc2ccccc21 ZINC000796756614 1129224828 /nfs/dbraw/zinc/22/48/28/1129224828.db2.gz VRCMLQQMJFNFMP-QWRGUYRKSA-N 0 1 299.399 3.809 20 0 CHADMN Cc1ncc([C@@H](C)N(Cc2ccc(F)cc2)C2CC2)c(C)n1 ZINC000637811828 1129231302 /nfs/dbraw/zinc/23/13/02/1129231302.db2.gz XDYIUQQNDMELLM-CYBMUJFWSA-N 0 1 299.393 3.958 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H]2c2cccs2)sn1 ZINC000637865493 1129232529 /nfs/dbraw/zinc/23/25/29/1129232529.db2.gz AHLRAGCACBHECY-GFCCVEGCSA-N 0 1 264.419 3.850 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2cccs2)sn1 ZINC000637865493 1129232531 /nfs/dbraw/zinc/23/25/31/1129232531.db2.gz AHLRAGCACBHECY-GFCCVEGCSA-N 0 1 264.419 3.850 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cnccc2C)c1Cl ZINC000660240767 1129248761 /nfs/dbraw/zinc/24/87/61/1129248761.db2.gz CMAKNRAJGZUTFM-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CCOCc1ccc(CNCc2c(C)cccc2OC)cc1 ZINC000638353175 1129255365 /nfs/dbraw/zinc/25/53/65/1129255365.db2.gz XBJOHXUUVGWDJP-UHFFFAOYSA-N 0 1 299.414 3.830 20 0 CHADMN CC1(c2ccccc2)CCN(Cc2cccnc2F)CC1 ZINC001138790954 1129257442 /nfs/dbraw/zinc/25/74/42/1129257442.db2.gz JKUCLDHOWAFKQE-UHFFFAOYSA-N 0 1 284.378 3.774 20 0 CHADMN CC(C)CC1(CNC(=O)c2ccc(O)c(Cl)c2)CCC1 ZINC000622426786 1129257872 /nfs/dbraw/zinc/25/78/72/1129257872.db2.gz ZWAFXEAOLXIKBW-UHFFFAOYSA-N 0 1 295.810 3.992 20 0 CHADMN CO[C@@H](CNCc1coc(-c2cccs2)n1)CC(C)C ZINC000638433354 1129258451 /nfs/dbraw/zinc/25/84/51/1129258451.db2.gz YZJZYCRVJSPCJG-CYBMUJFWSA-N 0 1 294.420 3.554 20 0 CHADMN CC[C@@H](C)c1cccc(NC(=O)c2oc(CN)cc2C)c1 ZINC000638469576 1129260092 /nfs/dbraw/zinc/26/00/92/1129260092.db2.gz YFINYGLIDMWPBN-LLVKDONJSA-N 0 1 286.375 3.813 20 0 CHADMN CCN(CC(=O)NC(C)(C)CC1CCCCCC1)C1CC1 ZINC000622543007 1129264876 /nfs/dbraw/zinc/26/48/76/1129264876.db2.gz WNHIWOAUAXZHHS-UHFFFAOYSA-N 0 1 294.483 3.726 20 0 CHADMN CCC[C@@H](C)N(C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000622586214 1129267095 /nfs/dbraw/zinc/26/70/95/1129267095.db2.gz IDCIDQQVANRYBJ-CYBMUJFWSA-N 0 1 275.371 3.632 20 0 CHADMN C[C@@H](NC1CC(n2cccn2)C1)c1c(F)cccc1Cl ZINC000638729981 1129268259 /nfs/dbraw/zinc/26/82/59/1129268259.db2.gz WBHGWWKRBVHPHQ-VOMCLLRMSA-N 0 1 293.773 3.730 20 0 CHADMN C[C@H]1Cc2ccccc2[C@@H]1NCc1cc(C#N)ccc1F ZINC000090117297 1129268939 /nfs/dbraw/zinc/26/89/39/1129268939.db2.gz GCGYEXYJCZWPLQ-KPZWWZAWSA-N 0 1 280.346 3.720 20 0 CHADMN Cc1cc(C)cc(-c2nc(C(C)(C)C)nc3nc[nH]c32)c1 ZINC001239522019 1131362367 /nfs/dbraw/zinc/36/23/67/1131362367.db2.gz AQFCCTQDFQEQFT-UHFFFAOYSA-N 0 1 280.375 3.886 20 0 CHADMN CCC[C@@H](CN[C@@H](c1cccc(C)c1)c1ccccn1)OC ZINC000638814152 1129271237 /nfs/dbraw/zinc/27/12/37/1129271237.db2.gz VKCCSTYOMIPTOJ-HKUYNNGSSA-N 0 1 298.430 3.884 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC3(CCCCC3)CC2)o1 ZINC000348046918 1129276256 /nfs/dbraw/zinc/27/62/56/1129276256.db2.gz QCEZWXKYIIBNJP-CYBMUJFWSA-N 0 1 277.412 3.739 20 0 CHADMN CC(C)CCC1CCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000348061150 1129278366 /nfs/dbraw/zinc/27/83/66/1129278366.db2.gz XXHXAXFJPVQCOC-UHFFFAOYSA-N 0 1 299.418 3.851 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc3ncsc3c2)sn1 ZINC000639062271 1129279213 /nfs/dbraw/zinc/27/92/13/1129279213.db2.gz WROOWJURHBZPKU-JTQLQIEISA-N 0 1 289.429 3.912 20 0 CHADMN Cc1cnc(CNC[C@@H](Cc2ccccc2)C(C)C)o1 ZINC000639095118 1129280655 /nfs/dbraw/zinc/28/06/55/1129280655.db2.gz XDWQSXWKUGXTJY-MRXNPFEDSA-N 0 1 272.392 3.588 20 0 CHADMN Cc1scc(CN(C)Cc2ccc(C)cn2)c1C ZINC000639096500 1129280880 /nfs/dbraw/zinc/28/08/80/1129280880.db2.gz GFELQNZUCZWWKG-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN CC(C)[C@H](NC(=O)C=CC(C)(C)C)c1nc2ccccc2[nH]1 ZINC000733888948 1129281825 /nfs/dbraw/zinc/28/18/25/1129281825.db2.gz OKYMOIBFOZKWRZ-SNGWPZLWSA-N 0 1 299.418 3.979 20 0 CHADMN Cc1cccc2c1CN([C@H](C)c1cnc(C)nc1C)CC2 ZINC000639106650 1129282329 /nfs/dbraw/zinc/28/23/29/1129282329.db2.gz YDZPYSVBYHJBMR-CQSZACIVSA-N 0 1 281.403 3.521 20 0 CHADMN COc1cccc(C)c1CNCc1cscc1C ZINC000639110137 1129282683 /nfs/dbraw/zinc/28/26/83/1129282683.db2.gz HPCDMRSEENPGTI-UHFFFAOYSA-N 0 1 261.390 3.663 20 0 CHADMN C[C@@H](NCc1ccnc(Br)c1)c1ccsc1 ZINC000378863911 1129284199 /nfs/dbraw/zinc/28/41/99/1129284199.db2.gz WLWBCAJEWZFRCS-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3ccc(F)cc32)sn1 ZINC000639123811 1129285258 /nfs/dbraw/zinc/28/52/58/1129285258.db2.gz OMVLZQMXEUPUIK-OAHLLOKOSA-N 0 1 276.380 3.758 20 0 CHADMN CC[C@@H](C)C[N@@H+](CC)CN1Cc2c(cccc2Cl)C1=O ZINC000795441127 1129286346 /nfs/dbraw/zinc/28/63/46/1129286346.db2.gz VYQGMPJXLZTBIP-GFCCVEGCSA-N 0 1 294.826 3.621 20 0 CHADMN CC[C@@H](C)CN(CC)CN1Cc2c(cccc2Cl)C1=O ZINC000795441127 1129286350 /nfs/dbraw/zinc/28/63/50/1129286350.db2.gz VYQGMPJXLZTBIP-GFCCVEGCSA-N 0 1 294.826 3.621 20 0 CHADMN CC[C@H](C)C[N@@H+](CC)CN1Cc2c(cccc2Cl)C1=O ZINC000795441130 1129286504 /nfs/dbraw/zinc/28/65/04/1129286504.db2.gz VYQGMPJXLZTBIP-LBPRGKRZSA-N 0 1 294.826 3.621 20 0 CHADMN CC[C@H](C)CN(CC)CN1Cc2c(cccc2Cl)C1=O ZINC000795441130 1129286508 /nfs/dbraw/zinc/28/65/08/1129286508.db2.gz VYQGMPJXLZTBIP-LBPRGKRZSA-N 0 1 294.826 3.621 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1cc2ccccc2n1C ZINC000639165916 1129288644 /nfs/dbraw/zinc/28/86/44/1129288644.db2.gz BLWWLMMZSGCQGI-UHFFFAOYSA-N 0 1 297.402 3.808 20 0 CHADMN O=c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccccc2)c[nH]1 ZINC000639207452 1129293536 /nfs/dbraw/zinc/29/35/36/1129293536.db2.gz OQVRXUIXUBCVPH-KRWDZBQOSA-N 0 1 280.371 3.514 20 0 CHADMN Fc1ccc2oc(CN3C[C@H](C4CC4)[C@@H]3C3CC3)nc2c1 ZINC000639232746 1129294985 /nfs/dbraw/zinc/29/49/85/1129294985.db2.gz OINRQEBXQILEIY-DYVFJYSZSA-N 0 1 286.350 3.587 20 0 CHADMN Cc1ccnc(NCc2cc(C3CC3)no2)c1C1CC1 ZINC000639312432 1129301567 /nfs/dbraw/zinc/30/15/67/1129301567.db2.gz YOFSMJMNHQNBNQ-UHFFFAOYSA-N 0 1 269.348 3.745 20 0 CHADMN CCn1nc(C)c(CN(C)Cc2ccc3cc[nH]c3c2)c1C ZINC000639359724 1129306356 /nfs/dbraw/zinc/30/63/56/1129306356.db2.gz HFZUGLAWWORHLK-UHFFFAOYSA-N 0 1 296.418 3.633 20 0 CHADMN Cc1cccc(CN2CC[C@H](O)C[C@@H]2c2ccccc2)c1F ZINC000639366550 1129307897 /nfs/dbraw/zinc/30/78/97/1129307897.db2.gz LYRDSCYILQFDDT-ZWKOTPCHSA-N 0 1 299.389 3.832 20 0 CHADMN FCCC1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000639376574 1129308812 /nfs/dbraw/zinc/30/88/12/1129308812.db2.gz PKAZSTQRIMUICO-UHFFFAOYSA-N 0 1 282.428 3.982 20 0 CHADMN CC1(F)CCN(Cc2conc2Cc2ccccc2)CC1 ZINC000639388442 1129310077 /nfs/dbraw/zinc/31/00/77/1129310077.db2.gz BLQQUUZVJDDYPN-UHFFFAOYSA-N 0 1 288.366 3.589 20 0 CHADMN COCc1cnc(CN2CCC[C@H](C3CCC3)CC2)s1 ZINC000639391564 1129310108 /nfs/dbraw/zinc/31/01/08/1129310108.db2.gz FSKPQMGMMVNDSJ-AWEZNQCLSA-N 0 1 294.464 3.692 20 0 CHADMN COc1ccc([C@@H](C)NCc2c(C)cccc2F)cc1 ZINC000766211992 1129313745 /nfs/dbraw/zinc/31/37/45/1129313745.db2.gz DZFXSPFHGVMPCW-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN C[C@H]1CCN(Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000639468537 1129318637 /nfs/dbraw/zinc/31/86/37/1129318637.db2.gz DWHFMWRIRMGJTF-ZDUSSCGKSA-N 0 1 293.370 3.732 20 0 CHADMN C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H]1CCO[C@H]1C ZINC000639520011 1129320505 /nfs/dbraw/zinc/32/05/05/1129320505.db2.gz QIWCCNHZEUQCKF-AGIUHOORSA-N 0 1 290.432 3.714 20 0 CHADMN Fc1cccc([C@@H]2CC[N@H+]2Cc2cccc3c2CCOC3)c1 ZINC000639511067 1129320789 /nfs/dbraw/zinc/32/07/89/1129320789.db2.gz MHFBGOPNSUEXPW-IBGZPJMESA-N 0 1 297.373 3.845 20 0 CHADMN Fc1cccc([C@@H]2CCN2Cc2cccc3c2CCOC3)c1 ZINC000639511067 1129320791 /nfs/dbraw/zinc/32/07/91/1129320791.db2.gz MHFBGOPNSUEXPW-IBGZPJMESA-N 0 1 297.373 3.845 20 0 CHADMN C[N@H+](Cc1cc(Cl)cc(Cl)c1F)C[C@@H]1CCOC1 ZINC000639510764 1129321390 /nfs/dbraw/zinc/32/13/90/1129321390.db2.gz FKNIOHHBUUHMAT-VIFPVBQESA-N 0 1 292.181 3.601 20 0 CHADMN CN(Cc1cc(Cl)cc(Cl)c1F)C[C@@H]1CCOC1 ZINC000639510764 1129321395 /nfs/dbraw/zinc/32/13/95/1129321395.db2.gz FKNIOHHBUUHMAT-VIFPVBQESA-N 0 1 292.181 3.601 20 0 CHADMN CC1=CCN(CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)CC1 ZINC000639567247 1129323609 /nfs/dbraw/zinc/32/36/09/1129323609.db2.gz OISVLXDEFFCMNT-BETUJISGSA-N 0 1 289.341 3.576 20 0 CHADMN COc1ccc(C2(NCc3c(C)cc(C)nc3C)CC2)cc1 ZINC000639565679 1129323760 /nfs/dbraw/zinc/32/37/60/1129323760.db2.gz QXYKRCOBTCHAPB-UHFFFAOYSA-N 0 1 296.414 3.794 20 0 CHADMN CC[C@H](NCc1c(C)cc(C)nc1C)c1c(C)noc1C ZINC000639579097 1129325394 /nfs/dbraw/zinc/32/53/94/1129325394.db2.gz GVAKKEQTRUKFQD-INIZCTEOSA-N 0 1 287.407 3.853 20 0 CHADMN COc1cccc(-c2nc(CN3CCCC4(CC4)C3)co2)c1 ZINC000639590148 1129325573 /nfs/dbraw/zinc/32/55/73/1129325573.db2.gz SRXHAOTWLFUVTB-UHFFFAOYSA-N 0 1 298.386 3.726 20 0 CHADMN CC(=O)CN[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000639629156 1129327412 /nfs/dbraw/zinc/32/74/12/1129327412.db2.gz RCSJLHWEMCSFMA-HNNXBMFYSA-N 0 1 283.371 3.505 20 0 CHADMN CCCCCC[C@H](CC)C(=O)NCc1cc(CC)[nH]n1 ZINC000735054746 1129329717 /nfs/dbraw/zinc/32/97/17/1129329717.db2.gz GWMPAKROEQFNAO-ZDUSSCGKSA-N 0 1 279.428 3.585 20 0 CHADMN C[C@H](Cc1cccc(F)c1)NCc1ncc(Cl)s1 ZINC000719399853 1129331905 /nfs/dbraw/zinc/33/19/05/1129331905.db2.gz GIDXEKPBSHMNLX-SECBINFHSA-N 0 1 284.787 3.656 20 0 CHADMN CC[C@@H](OCC[N@H+]1CCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000639777136 1129332952 /nfs/dbraw/zinc/33/29/52/1129332952.db2.gz SPKGLVUIMFOWIT-QZTJIDSGSA-N 0 1 299.418 3.715 20 0 CHADMN FC(F)(F)c1ccc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000639779715 1129333426 /nfs/dbraw/zinc/33/34/26/1129333426.db2.gz BLNBTTGMXMBFAZ-AWEZNQCLSA-N 0 1 295.308 3.766 20 0 CHADMN FC(F)(F)c1ccc(CN2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000639779715 1129333429 /nfs/dbraw/zinc/33/34/29/1129333429.db2.gz BLNBTTGMXMBFAZ-AWEZNQCLSA-N 0 1 295.308 3.766 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)COc2ccccc2)cs1 ZINC000772857733 1131367284 /nfs/dbraw/zinc/36/72/84/1131367284.db2.gz VFTPRIZHLFXHBY-RYUDHWBXSA-N 0 1 276.405 3.570 20 0 CHADMN CC(C)C[C@H]1CCCCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000639888112 1129338339 /nfs/dbraw/zinc/33/83/39/1129338339.db2.gz SFUYFBBQESIEGN-LLVKDONJSA-N 0 1 299.365 3.778 20 0 CHADMN Cc1nc(CCN2CC(C)(C)[C@H]2c2ccco2)cs1 ZINC000639926692 1129340297 /nfs/dbraw/zinc/34/02/97/1129340297.db2.gz AUGFXHPLVFTFFW-CQSZACIVSA-N 0 1 276.405 3.670 20 0 CHADMN Cc1noc(C)c1CCN1CC(C)(C)[C@H]1c1ccco1 ZINC000639927674 1129340909 /nfs/dbraw/zinc/34/09/09/1129340909.db2.gz GOOMKDBDGLBLCD-OAHLLOKOSA-N 0 1 274.364 3.510 20 0 CHADMN CCCCC[C@H]1CCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000639979381 1129342236 /nfs/dbraw/zinc/34/22/36/1129342236.db2.gz KGGZVGMSROMRLG-JTQLQIEISA-N 0 1 285.338 3.532 20 0 CHADMN Cc1cccc(F)c1CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000766213316 1129346005 /nfs/dbraw/zinc/34/60/05/1129346005.db2.gz OFWPTFNFAZPXLI-GFCCVEGCSA-N 0 1 287.334 3.714 20 0 CHADMN FC(F)(F)[C@@H]1CCCN(CCc2noc3ccccc32)C1 ZINC000640069145 1129347729 /nfs/dbraw/zinc/34/77/29/1129347729.db2.gz QLUUTFBGDFYQSB-LLVKDONJSA-N 0 1 298.308 3.645 20 0 CHADMN O[C@@H]1CCN(Cc2ccsc2Cl)[C@@H]2CCCC[C@H]12 ZINC000640102836 1129348559 /nfs/dbraw/zinc/34/85/59/1129348559.db2.gz VDEBCOXUOPYROW-YNEHKIRRSA-N 0 1 285.840 3.527 20 0 CHADMN CCCC1CCC(N(C)C(=O)c2cc(C(F)F)[nH]n2)CC1 ZINC000640183444 1129350676 /nfs/dbraw/zinc/35/06/76/1129350676.db2.gz TTZZWCBVQXJMGG-UHFFFAOYSA-N 0 1 299.365 3.778 20 0 CHADMN C[C@H](CN(C)[C@@H](C)c1nc(C2CC2)no1)C(C)(C)C ZINC000640349525 1129355572 /nfs/dbraw/zinc/35/55/72/1129355572.db2.gz DDCPDYWDNLBINX-MNOVXSKESA-N 0 1 265.401 3.622 20 0 CHADMN FC(F)(F)c1cncc(-c2cncc3cc[nH]c32)c1 ZINC001240791854 1129356920 /nfs/dbraw/zinc/35/69/20/1129356920.db2.gz GCDUYYSTPHHVQB-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN CCc1n[nH]cc1-c1nc(-c2ccc(Cl)cc2C)no1 ZINC001212885252 1129357413 /nfs/dbraw/zinc/35/74/13/1129357413.db2.gz CGBSCEFMNWUDFG-UHFFFAOYSA-N 0 1 288.738 3.651 20 0 CHADMN CCCCC[C@@H](CC)N1CCN(C)c2ncccc2C1 ZINC001258441413 1129362241 /nfs/dbraw/zinc/36/22/41/1129362241.db2.gz KPTBUZSCORAZRL-MRXNPFEDSA-N 0 1 275.440 3.692 20 0 CHADMN C[C@H](c1cn(-c2ccccc2)nn1)N1CCCC2(CC2)CC1 ZINC000626114211 1129362820 /nfs/dbraw/zinc/36/28/20/1129362820.db2.gz XACJMNLDURRWCS-OAHLLOKOSA-N 0 1 296.418 3.594 20 0 CHADMN C[C@H](c1ccccc1)n1cc(CN(C)C2CCCCC2)nn1 ZINC000640848815 1129368804 /nfs/dbraw/zinc/36/88/04/1129368804.db2.gz RHDSPBVTFPHQIM-OAHLLOKOSA-N 0 1 298.434 3.652 20 0 CHADMN Cc1ccc(CN2CCC(Oc3ccccc3)CC2)o1 ZINC000091681712 1129368828 /nfs/dbraw/zinc/36/88/28/1129368828.db2.gz SQYDZERWYBTRQB-UHFFFAOYSA-N 0 1 271.360 3.631 20 0 CHADMN Cc1ccc(C2=CCN(Cc3cccc(C)n3)CC2)cc1 ZINC000736308570 1129372473 /nfs/dbraw/zinc/37/24/73/1129372473.db2.gz POZXVFWKWPOBLJ-UHFFFAOYSA-N 0 1 278.399 3.988 20 0 CHADMN C[C@H](NCc1ccncc1N)c1cccc(C(F)(F)F)c1 ZINC000641701216 1129387360 /nfs/dbraw/zinc/38/73/60/1129387360.db2.gz POAHPERBCGSSQT-JTQLQIEISA-N 0 1 295.308 3.533 20 0 CHADMN CCOCc1ccc(CNCc2ccc(SC)o2)cc1 ZINC000641707833 1129387598 /nfs/dbraw/zinc/38/75/98/1129387598.db2.gz QNUPGIJIFDPUMY-UHFFFAOYSA-N 0 1 291.416 3.828 20 0 CHADMN COc1cc(CNCc2ccc(SC)o2)ccc1C ZINC000641714522 1129388049 /nfs/dbraw/zinc/38/80/49/1129388049.db2.gz XHOKPYUQXBGBCV-UHFFFAOYSA-N 0 1 277.389 3.608 20 0 CHADMN Cc1ncc(CNc2ccc3c(c2)nc2n3CCCCC2)o1 ZINC000641761051 1129390426 /nfs/dbraw/zinc/39/04/26/1129390426.db2.gz QDFCIRBNZGWSMS-UHFFFAOYSA-N 0 1 296.374 3.671 20 0 CHADMN CSc1ccc(CNC(C)(C)CC(F)(F)F)o1 ZINC000641751993 1129390691 /nfs/dbraw/zinc/39/06/91/1129390691.db2.gz LZDIZHBPYOBMBU-UHFFFAOYSA-N 0 1 267.316 3.822 20 0 CHADMN Fc1cccnc1CN[C@H](c1ccccc1)C1CCC1 ZINC000641777241 1129391415 /nfs/dbraw/zinc/39/14/15/1129391415.db2.gz NJPYXNQPMOYCNV-QGZVFWFLSA-N 0 1 270.351 3.852 20 0 CHADMN CC(C)(C)OC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000092454183 1129394995 /nfs/dbraw/zinc/39/49/95/1129394995.db2.gz BRVFKGZTCDOMTC-UHFFFAOYSA-N 0 1 297.826 3.825 20 0 CHADMN CCCc1cc(C(=O)N(C)[C@H](C)c2ccc(C)cc2C)n[nH]1 ZINC000642046823 1129402660 /nfs/dbraw/zinc/40/26/60/1129402660.db2.gz KRKYRJGNCBLLGC-CQSZACIVSA-N 0 1 299.418 3.812 20 0 CHADMN CC[C@H]1CN(Cc2ccc(C(C)(C)C)cc2)CCO1 ZINC000642094558 1129405499 /nfs/dbraw/zinc/40/54/99/1129405499.db2.gz BVGYQYVIFBWIKG-INIZCTEOSA-N 0 1 261.409 3.595 20 0 CHADMN Cc1nc2cc(Nc3ccc4c(c3)[C@H](O)CCC4)ccc2[nH]1 ZINC001213076622 1129415154 /nfs/dbraw/zinc/41/51/54/1129415154.db2.gz VSZUPAUQZVCMQT-GOSISDBHSA-N 0 1 293.370 3.985 20 0 CHADMN Cc1nc2c(nc(Cl)nc2NC[C@H]2CCCC[C@H]2C)[nH]1 ZINC001155072110 1129415355 /nfs/dbraw/zinc/41/53/55/1129415355.db2.gz HMEAUSJMRRJHHI-PSASIEDQSA-N 0 1 293.802 3.505 20 0 CHADMN COc1ccccc1CN(C)CCO[C@@H]1CCCC[C@H]1C ZINC000642525095 1129419513 /nfs/dbraw/zinc/41/95/13/1129419513.db2.gz MXNKJVZMOOMROO-NVXWUHKLSA-N 0 1 291.435 3.722 20 0 CHADMN C[C@H](c1ccccc1)N(C)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000642652813 1129422955 /nfs/dbraw/zinc/42/29/55/1129422955.db2.gz UBCAOBBTWCBGKS-GFCCVEGCSA-N 0 1 295.342 3.503 20 0 CHADMN Cc1ccc([C@H](C)N(C)CC(=O)Nc2cccc(C)c2)cc1 ZINC000642642155 1129423131 /nfs/dbraw/zinc/42/31/31/1129423131.db2.gz ALAZGSJVOQVABU-INIZCTEOSA-N 0 1 296.414 3.935 20 0 CHADMN CCCCCSc1nc(-c2ccccc2F)n[nH]1 ZINC000643090745 1129427969 /nfs/dbraw/zinc/42/79/69/1129427969.db2.gz QUMFZLREMUFGBU-UHFFFAOYSA-N 0 1 265.357 3.893 20 0 CHADMN Cc1n[nH]c(C2CC2)c1-c1nc(-c2ccc(C)cc2F)no1 ZINC001212958543 1129427979 /nfs/dbraw/zinc/42/79/79/1129427979.db2.gz DRBCAKQERHCFSU-UHFFFAOYSA-N 0 1 298.321 3.760 20 0 CHADMN C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CN2CCSC2=O)C1 ZINC000795700266 1129431616 /nfs/dbraw/zinc/43/16/16/1129431616.db2.gz IJTILKOYOOPINA-ZFWWWQNUSA-N 0 1 290.432 3.586 20 0 CHADMN C[C@H]1CC[C@@H](c2ccccc2)N(CN2CCSC2=O)C1 ZINC000795700266 1129431619 /nfs/dbraw/zinc/43/16/19/1129431619.db2.gz IJTILKOYOOPINA-ZFWWWQNUSA-N 0 1 290.432 3.586 20 0 CHADMN Fc1cc(-c2cc3[nH]cnc3cn2)cc(C(F)(F)F)c1 ZINC001241080864 1129432378 /nfs/dbraw/zinc/43/23/78/1129432378.db2.gz WCJPXBRHEMIHPM-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@H](C)c1ccccc1Cl ZINC000179951926 1129438416 /nfs/dbraw/zinc/43/84/16/1129438416.db2.gz JLXUDPIZYDMCHM-ZJUUUORDSA-N 0 1 263.772 3.783 20 0 CHADMN O=C(Nc1ccn(-c2ccncc2)n1)C1CCCCCCC1 ZINC000741565496 1129441993 /nfs/dbraw/zinc/44/19/93/1129441993.db2.gz MNYJIVZDQRTBOW-UHFFFAOYSA-N 0 1 298.390 3.566 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000180127786 1129451351 /nfs/dbraw/zinc/45/13/51/1129451351.db2.gz QVAIMJJBDAGPLY-ZJUUUORDSA-N 0 1 295.333 3.731 20 0 CHADMN Cc1ccccc1[C@H](O)CN(C)Cc1ccccc1Cl ZINC000741775582 1129452314 /nfs/dbraw/zinc/45/23/14/1129452314.db2.gz USYPMQXBHWWKLP-QGZVFWFLSA-N 0 1 289.806 3.814 20 0 CHADMN CCCOC(=O)[C@H](C)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000741798064 1129454059 /nfs/dbraw/zinc/45/40/59/1129454059.db2.gz ZQNTYXSNOCAODK-PMPSAXMXSA-N 0 1 289.419 3.515 20 0 CHADMN Fc1cc(F)cc(-c2n[nH]c(SC/C=C/Cl)n2)c1 ZINC000741855797 1129456816 /nfs/dbraw/zinc/45/68/16/1129456816.db2.gz QCIZCCZUJDXIEU-OWOJBTEDSA-N 0 1 287.722 3.595 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@@H]1CCSc2ccc(F)cc21 ZINC000180279308 1129466297 /nfs/dbraw/zinc/46/62/97/1129466297.db2.gz VKZVJCQAZYGBSI-LKFCYVNXSA-N 0 1 291.395 3.745 20 0 CHADMN CCCc1nc(C)c(CNCc2ccc3cnccc3c2)o1 ZINC000644445343 1129466528 /nfs/dbraw/zinc/46/65/28/1129466528.db2.gz ZKTXPKDTTFAYRL-UHFFFAOYSA-N 0 1 295.386 3.774 20 0 CHADMN COCc1cccc(CNCc2c(C)cccc2F)c1 ZINC000742380758 1129473030 /nfs/dbraw/zinc/47/30/30/1129473030.db2.gz SRSFROCSYZNPHV-UHFFFAOYSA-N 0 1 273.351 3.570 20 0 CHADMN COc1ccc2nc(SCCCCCCCO)[nH]c2c1 ZINC000742444979 1129477996 /nfs/dbraw/zinc/47/79/96/1129477996.db2.gz NVQAUNPDSAWLMO-UHFFFAOYSA-N 0 1 294.420 3.606 20 0 CHADMN COCc1ccc(SCc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000644854984 1129478522 /nfs/dbraw/zinc/47/85/22/1129478522.db2.gz IEXJQSUTVLURLE-UHFFFAOYSA-N 0 1 291.420 3.541 20 0 CHADMN CC(=CC(=O)N[C@H](C)c1nc2ccccc2[nH]1)C(C)(C)C ZINC000742500549 1129482620 /nfs/dbraw/zinc/48/26/20/1129482620.db2.gz DQEOUIVIFADHHJ-HCRIHEDKSA-N 0 1 285.391 3.733 20 0 CHADMN COc1ccc(F)c(CN[C@H](C)c2ccsc2)c1 ZINC000645178459 1129490338 /nfs/dbraw/zinc/49/03/38/1129490338.db2.gz HYCWDZPVXHZVMG-SNVBAGLBSA-N 0 1 265.353 3.747 20 0 CHADMN c1ccc2c(c1)ccnc2CNc1cc2c(cn1)CCC2 ZINC000645212708 1129491837 /nfs/dbraw/zinc/49/18/37/1129491837.db2.gz UUMZWEDPAGZIEZ-UHFFFAOYSA-N 0 1 275.355 3.731 20 0 CHADMN COc1ccc(C2CCC(NCC(C)(F)F)CC2)cc1 ZINC000645487711 1129499466 /nfs/dbraw/zinc/49/94/66/1129499466.db2.gz MBIOXLDFUFFCRG-UHFFFAOYSA-N 0 1 283.362 3.966 20 0 CHADMN Fc1cc(Cl)c2c(c1)CN(CCC[C@@H]1CCOC1)CC2 ZINC000645924286 1129513583 /nfs/dbraw/zinc/51/35/83/1129513583.db2.gz SSMHVCDMIKQVGW-GFCCVEGCSA-N 0 1 297.801 3.654 20 0 CHADMN CN(CCc1ccccc1)Cc1cnc2[nH]ccc2c1Cl ZINC001138927839 1129514307 /nfs/dbraw/zinc/51/43/07/1129514307.db2.gz ACRAVVUGIZSFAT-UHFFFAOYSA-N 0 1 299.805 3.842 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@H](C)c2ccc(Cl)cc2)C1 ZINC000251225830 1129516238 /nfs/dbraw/zinc/51/62/38/1129516238.db2.gz JUABXEUXTCONRZ-MLGOLLRUSA-N 0 1 295.810 3.978 20 0 CHADMN Cc1ncsc1CNC1(c2cccc(F)c2)CCC1 ZINC000646001779 1129516253 /nfs/dbraw/zinc/51/62/53/1129516253.db2.gz LJNRCTYBPQVSOC-UHFFFAOYSA-N 0 1 276.380 3.760 20 0 CHADMN Cc1ccc(CN(Cc2cccnc2C)CC2CC2)cn1 ZINC000646020016 1129517248 /nfs/dbraw/zinc/51/72/48/1129517248.db2.gz AHHZGZJEWRYWDF-UHFFFAOYSA-N 0 1 281.403 3.506 20 0 CHADMN Cc1cccc(C2(NCc3ccncc3F)CCC2)c1 ZINC000646022584 1129518558 /nfs/dbraw/zinc/51/85/58/1129518558.db2.gz STKUHBKKELHLLP-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN CC1(C)CCC[C@H]1[C@@H]1CCN(Cc2nccn2C(F)F)C1 ZINC000646049650 1129519322 /nfs/dbraw/zinc/51/93/22/1129519322.db2.gz QGRQBLVUVLLTDF-OLZOCXBDSA-N 0 1 297.393 3.926 20 0 CHADMN Cc1ccc(C)c(CN[C@H](CCO)c2ccccc2F)c1 ZINC000646067243 1129520168 /nfs/dbraw/zinc/52/01/68/1129520168.db2.gz RCWFQYFASSPLDV-GOSISDBHSA-N 0 1 287.378 3.656 20 0 CHADMN OCC[C@@H](NCc1ccc(Cl)cc1)c1ccccc1F ZINC000646067232 1129520333 /nfs/dbraw/zinc/52/03/33/1129520333.db2.gz QIAYXRODHXOAER-MRXNPFEDSA-N 0 1 293.769 3.692 20 0 CHADMN O[C@H](CN(Cc1ccco1)Cc1ccccc1)c1ccco1 ZINC000303054111 1129522023 /nfs/dbraw/zinc/52/20/23/1129522023.db2.gz XVICCANHPZEVAV-QGZVFWFLSA-N 0 1 297.354 3.608 20 0 CHADMN O[C@@H](CN(Cc1ccco1)Cc1ccccc1)c1ccco1 ZINC000303054109 1129522263 /nfs/dbraw/zinc/52/22/63/1129522263.db2.gz XVICCANHPZEVAV-KRWDZBQOSA-N 0 1 297.354 3.608 20 0 CHADMN Cc1cc(CNC2(c3cccc(Cl)c3)CCC2)ncn1 ZINC000646095143 1129522556 /nfs/dbraw/zinc/52/25/56/1129522556.db2.gz HQXGHYFUPPCJDP-UHFFFAOYSA-N 0 1 287.794 3.607 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000251336039 1129524106 /nfs/dbraw/zinc/52/41/06/1129524106.db2.gz YVRWQYQQYJRWQB-BZNIZROVSA-N 0 1 297.345 3.603 20 0 CHADMN C[C@@H](c1cnccn1)N1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646117886 1129524137 /nfs/dbraw/zinc/52/41/37/1129524137.db2.gz BFYHVTVACKKDEG-YJBOKZPZSA-N 0 1 291.398 3.931 20 0 CHADMN C1=CCC2(CN(Cc3ccncc3)[C@@H]2c2ccccc2)C1 ZINC000646117921 1129524536 /nfs/dbraw/zinc/52/45/36/1129524536.db2.gz WNKDMUTWAVUIGX-GOSISDBHSA-N 0 1 276.383 3.975 20 0 CHADMN COc1cc(-c2cc3nc[nH]c3c(C)c2)ccc1F ZINC001241418643 1129536637 /nfs/dbraw/zinc/53/66/37/1129536637.db2.gz RWLQLEWLHXFCIA-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CCCCN(Cc1nnc(-c2cccc(F)c2)o1)C1CC1 ZINC000743840981 1129537251 /nfs/dbraw/zinc/53/72/51/1129537251.db2.gz YDFQPXZLGKLFHC-UHFFFAOYSA-N 0 1 289.354 3.640 20 0 CHADMN CCc1ccc(NC(=O)[C@H]2CCN2C2CCCC2)cc1C ZINC001137589509 1131381081 /nfs/dbraw/zinc/38/10/81/1131381081.db2.gz MAFLYOPPQISMRJ-QGZVFWFLSA-N 0 1 286.419 3.513 20 0 CHADMN CC[C@]1(C)CCCN(C[C@H](O)c2c(F)cccc2F)C1 ZINC000743860315 1129541144 /nfs/dbraw/zinc/54/11/44/1129541144.db2.gz ASYCSXXVTPJFHG-GOEBONIOSA-N 0 1 283.362 3.510 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2F)N(C/C=C/Cl)C1 ZINC000743856776 1129541365 /nfs/dbraw/zinc/54/13/65/1129541365.db2.gz NQSAOZWOODXVEQ-ZHVYSYIMSA-N 0 1 253.748 3.961 20 0 CHADMN Cc1nc2cncc(-c3c(C)cc(C)cc3C)c2[nH]1 ZINC001239551395 1131380991 /nfs/dbraw/zinc/38/09/91/1131380991.db2.gz YDKHUANOKVFNCD-UHFFFAOYSA-N 0 1 251.333 3.859 20 0 CHADMN Cc1nc2c(cncc2-c2c(C)cc(C)cc2C)[nH]1 ZINC001239551395 1131380993 /nfs/dbraw/zinc/38/09/93/1131380993.db2.gz YDKHUANOKVFNCD-UHFFFAOYSA-N 0 1 251.333 3.859 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2c(C)nn(C)c2Cl)C1 ZINC000743872101 1129543370 /nfs/dbraw/zinc/54/33/70/1129543370.db2.gz HPUUESZCHGDGPP-OAHLLOKOSA-N 0 1 283.847 3.784 20 0 CHADMN Cc1[nH]ncc1[C@@H](C)Nc1cc(F)cc(Cl)c1 ZINC000181183447 1129543523 /nfs/dbraw/zinc/54/35/23/1129543523.db2.gz ANQZTAVULYUZLH-SSDOTTSWSA-N 0 1 253.708 3.684 20 0 CHADMN O=C(C=Cc1ccc(Cl)cc1)Nc1ccc2nc[nH]c2c1 ZINC000743940712 1129544068 /nfs/dbraw/zinc/54/40/68/1129544068.db2.gz LNGWBYZWBBXEGJ-BAQGIRSFSA-N 0 1 297.745 3.868 20 0 CHADMN Cc1cc(CN2CC(C)(CC(F)F)C2)c(C)s1 ZINC000648059084 1129594717 /nfs/dbraw/zinc/59/47/17/1129594717.db2.gz VENZXCXHNDBBLL-UHFFFAOYSA-N 0 1 259.365 3.842 20 0 CHADMN Cc1ccc2nc(NC(=O)CCc3ccccc3F)[nH]c2c1 ZINC000646984834 1129548151 /nfs/dbraw/zinc/54/81/51/1129548151.db2.gz PBWFXYQETRNXQL-UHFFFAOYSA-N 0 1 297.333 3.582 20 0 CHADMN CC(C)C[C@H](N)c1noc(/C=C\c2cccc(Cl)c2)n1 ZINC000647130399 1129551478 /nfs/dbraw/zinc/55/14/78/1129551478.db2.gz YIHRILJOXHJSMT-FWWRYZNZSA-N 0 1 291.782 3.939 20 0 CHADMN CC(C)Cc1ccc(/C=C/c2nc([C@H]3CCCN3)no2)cc1 ZINC000647147230 1129551760 /nfs/dbraw/zinc/55/17/60/1129551760.db2.gz NOZCOEYZAQJMNU-ZNFPLGDCSA-N 0 1 297.402 3.863 20 0 CHADMN Cc1ccc(/C=C\c2nc([C@H]3CCCN3)no2)cc1Cl ZINC000647154943 1129552855 /nfs/dbraw/zinc/55/28/55/1129552855.db2.gz NZMCFHBILOCOHG-FMFIFOJESA-N 0 1 289.766 3.626 20 0 CHADMN CC[C@@H](CC1CCCCC1)c1nc([C@H]2CCCN2)no1 ZINC000647149316 1129553245 /nfs/dbraw/zinc/55/32/45/1129553245.db2.gz JPHANWDDXWVMAE-UONOGXRCSA-N 0 1 277.412 3.958 20 0 CHADMN C[C@@H](OC(=O)/C=C\C1CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000744125975 1129554164 /nfs/dbraw/zinc/55/41/64/1129554164.db2.gz IDOICCJCSFWTDA-WQAKUFEDSA-N 0 1 290.750 3.787 20 0 CHADMN CCC(CC)[C@H](NCc1cncnc1OC)c1ccccc1 ZINC000647174367 1129554254 /nfs/dbraw/zinc/55/42/54/1129554254.db2.gz YFSJXPXKMRGFLU-KRWDZBQOSA-N 0 1 299.418 3.752 20 0 CHADMN COc1ccccc1C1(NCc2sccc2C)CC1 ZINC000647232756 1129558975 /nfs/dbraw/zinc/55/89/75/1129558975.db2.gz AIRBZESHISFLIA-UHFFFAOYSA-N 0 1 273.401 3.844 20 0 CHADMN Fc1cccc(C2(NCc3cccc4c3OCO4)CCC2)c1 ZINC000647233349 1129559171 /nfs/dbraw/zinc/55/91/71/1129559171.db2.gz JXLWSQWWMSEJQM-UHFFFAOYSA-N 0 1 299.345 3.723 20 0 CHADMN Cc1ccc(NC(=O)CN(C)C2CC(C)(C)C2)cc1Cl ZINC001170990076 1131385216 /nfs/dbraw/zinc/38/52/16/1131385216.db2.gz HUZUGMCFHSRFGR-UHFFFAOYSA-N 0 1 294.826 3.707 20 0 CHADMN C[C@@H]1SCC[C@@H]1NCc1csc(-c2ccsc2)n1 ZINC000647258191 1129562144 /nfs/dbraw/zinc/56/21/44/1129562144.db2.gz VGFZQBZOONLPNG-CABZTGNLSA-N 0 1 296.486 3.855 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](CCO)c2ccccc2F)s1 ZINC000647344968 1129571605 /nfs/dbraw/zinc/57/16/05/1129571605.db2.gz BZXZKHCSZXFKSH-IUODEOHRSA-N 0 1 293.407 3.970 20 0 CHADMN Cc1cccc2c1CC[C@@H]2N[C@@H](CCO)c1ccccc1F ZINC000647345120 1129572156 /nfs/dbraw/zinc/57/21/56/1129572156.db2.gz DXKHMXOVGVTDDU-OALUTQOASA-N 0 1 299.389 3.835 20 0 CHADMN CC[C@H](N[C@@H](CCO)c1ccccc1F)c1ccccc1 ZINC000647346701 1129572489 /nfs/dbraw/zinc/57/24/89/1129572489.db2.gz ZQHJZUSTBIFBFJ-ROUUACIJSA-N 0 1 287.378 3.990 20 0 CHADMN Fc1ccc(C[C@@H]2CCCN(Cc3cscn3)C2)cc1 ZINC001137597014 1131383010 /nfs/dbraw/zinc/38/30/10/1131383010.db2.gz NFGIKPVHEKZOPU-AWEZNQCLSA-N 0 1 290.407 3.737 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1Cn1c2ccccc2n(C)c1=S ZINC000744442276 1129577567 /nfs/dbraw/zinc/57/75/67/1129577567.db2.gz BEVMGVHCLROTJJ-QWHCGFSZSA-N 0 1 289.448 3.787 20 0 CHADMN CCCOC(=O)[C@H](C)N1CCC[C@H](c2ccccc2)CC1 ZINC000303949880 1129581629 /nfs/dbraw/zinc/58/16/29/1129581629.db2.gz VKABPNFBHPVBNP-RDJZCZTQSA-N 0 1 289.419 3.598 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)CN(CC)C2CC2)cc1 ZINC000097205688 1129588295 /nfs/dbraw/zinc/58/82/95/1129588295.db2.gz DGAGZKXLRUIYCC-CYBMUJFWSA-N 0 1 274.408 3.623 20 0 CHADMN CCc1nocc1CN[C@H](c1ccccc1)C(C)C ZINC000647956969 1129589112 /nfs/dbraw/zinc/58/91/12/1129589112.db2.gz XGRIEPPLSMDVRH-INIZCTEOSA-N 0 1 258.365 3.724 20 0 CHADMN CC1(CC(F)F)CN(C/C=C\c2ccccc2)C1 ZINC000648058610 1129594106 /nfs/dbraw/zinc/59/41/06/1129594106.db2.gz UHKNLMJTSZJASA-YVMONPNESA-N 0 1 251.320 3.677 20 0 CHADMN Cc1cnc(-c2ccc(OC(C)C)cc2F)cc1N ZINC001241647512 1129596041 /nfs/dbraw/zinc/59/60/41/1129596041.db2.gz FMGZSVLLDOQZGR-UHFFFAOYSA-N 0 1 260.312 3.566 20 0 CHADMN Cc1cnn(C)c1CN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000648075142 1129597486 /nfs/dbraw/zinc/59/74/86/1129597486.db2.gz WPAKOMDVQZQUTN-SFHVURJKSA-N 0 1 293.414 3.622 20 0 CHADMN Cc1csc([C@@H](C)NCCSC(C)(C)C)n1 ZINC000304445509 1129598281 /nfs/dbraw/zinc/59/82/81/1129598281.db2.gz UMHSYBFWZFEZLP-SNVBAGLBSA-N 0 1 258.456 3.634 20 0 CHADMN CCOc1ccccc1-c1nc(C)cc2[nH]ccc21 ZINC001239557576 1131384433 /nfs/dbraw/zinc/38/44/33/1131384433.db2.gz HINZPYDGMNVCIX-UHFFFAOYSA-N 0 1 252.317 3.937 20 0 CHADMN C[C@@H](N[C@@H](C)c1nccn1C)c1ccc2ccccc2c1 ZINC000182196204 1129600191 /nfs/dbraw/zinc/60/01/91/1129600191.db2.gz SLEHNJWOOCXRME-KGLIPLIRSA-N 0 1 279.387 3.985 20 0 CHADMN Fc1ccc2nc(-c3c(F)ccc(F)c3F)[nH]c2c1 ZINC000716383825 1129600531 /nfs/dbraw/zinc/60/05/31/1129600531.db2.gz BZHRWVMORAXNCZ-UHFFFAOYSA-N 0 1 266.197 3.786 20 0 CHADMN Cc1[nH]nc2ccc(-c3cc(C(F)(F)F)ccn3)cc12 ZINC001241666467 1129600812 /nfs/dbraw/zinc/60/08/12/1129600812.db2.gz ZJJZJWUTMICRQU-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN Fc1ccc(-c2ccc3nc[nH]c3c2)c2cc[nH]c21 ZINC001241697544 1129603495 /nfs/dbraw/zinc/60/34/95/1129603495.db2.gz XOVBBOFHWAECLF-UHFFFAOYSA-N 0 1 251.264 3.850 20 0 CHADMN Fc1ccc(C2CC2)cc1CNCc1[nH]nc2ccccc21 ZINC000648635449 1129617059 /nfs/dbraw/zinc/61/70/59/1129617059.db2.gz MSMPDKUCFSBHHC-UHFFFAOYSA-N 0 1 295.361 3.869 20 0 CHADMN CC[C@H](C)[C@@H](CNCc1csc(-c2ccco2)n1)OC ZINC000648658401 1129618413 /nfs/dbraw/zinc/61/84/13/1129618413.db2.gz DLDZQVJGMYWRKM-SMDDNHRTSA-N 0 1 294.420 3.554 20 0 CHADMN CCOc1ccc(NCc2ccc3nc[nH]c3c2)cc1OC ZINC000746052891 1129624090 /nfs/dbraw/zinc/62/40/90/1129624090.db2.gz BKMLJKZTZWEUBO-UHFFFAOYSA-N 0 1 297.358 3.582 20 0 CHADMN Cc1ncc(C(=O)N(Cc2ccc(C)cc2C)CC(C)C)[nH]1 ZINC000648956851 1129630560 /nfs/dbraw/zinc/63/05/60/1129630560.db2.gz ZZRBUTMSJHXQDH-UHFFFAOYSA-N 0 1 299.418 3.633 20 0 CHADMN C[C@H](NC[C@@H](O)c1cc2ccccc2s1)c1ccco1 ZINC000305192081 1129631366 /nfs/dbraw/zinc/63/13/66/1129631366.db2.gz YKHCFGLEIBUAOF-WCQYABFASA-N 0 1 287.384 3.879 20 0 CHADMN CC1(C)CC[C@@H](CN[C@@H](c2ccco2)c2ccccc2)O1 ZINC000187841771 1129637125 /nfs/dbraw/zinc/63/71/25/1129637125.db2.gz BMIRDHJHBRMJMV-DOTOQJQBSA-N 0 1 285.387 3.916 20 0 CHADMN CC(C)(C)[C@H](NCN1CCSC1=O)c1ccc(F)cc1 ZINC000098051593 1129642339 /nfs/dbraw/zinc/64/23/39/1129642339.db2.gz OVYADPALJIDGPF-CYBMUJFWSA-N 0 1 296.411 3.629 20 0 CHADMN Cc1[nH]ncc1[C@H](C)Nc1cnn(C2CCCC2)c1C ZINC000193385720 1129644721 /nfs/dbraw/zinc/64/47/21/1129644721.db2.gz SUVDZTLYIMELSQ-JTQLQIEISA-N 0 1 273.384 3.511 20 0 CHADMN Cc1nc2cc(-c3ccc(CN(C)C)c(F)c3)ccc2n1C ZINC000649438006 1129648530 /nfs/dbraw/zinc/64/85/30/1129648530.db2.gz OYURPHCNDBSMTF-UHFFFAOYSA-N 0 1 297.377 3.749 20 0 CHADMN Cc1cc(C(F)(F)F)ncc1-c1cc(C(F)(F)F)n[nH]1 ZINC000649445201 1129650636 /nfs/dbraw/zinc/65/06/36/1129650636.db2.gz UCDDMWSVCHSKSS-UHFFFAOYSA-N 0 1 295.186 3.818 20 0 CHADMN CC(C)CC[C@H](C)NCc1ncc(Br)s1 ZINC000380261590 1129651262 /nfs/dbraw/zinc/65/12/62/1129651262.db2.gz RRDNOMUXAKMINE-VIFPVBQESA-N 0 1 291.258 3.820 20 0 CHADMN CC[C@@H](OCCN(C)Cc1ccco1)c1ccccc1 ZINC000649475400 1129651707 /nfs/dbraw/zinc/65/17/07/1129651707.db2.gz AKLWRNYXXLEROA-QGZVFWFLSA-N 0 1 273.376 3.879 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H]2CC23CCCC3)c(C)s1 ZINC000387052649 1129654101 /nfs/dbraw/zinc/65/41/01/1129654101.db2.gz UCRGQRXIXLMURF-BXKDBHETSA-N 0 1 250.411 3.743 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2cccnc21)c1ccc2c(c1)OCO2 ZINC000387457596 1129654270 /nfs/dbraw/zinc/65/42/70/1129654270.db2.gz BIHCVJNUFLFBOP-IUODEOHRSA-N 0 1 296.370 3.539 20 0 CHADMN CCn1ccc(CN[C@@H](c2ccccc2)C2CCC2)n1 ZINC000649558861 1129657308 /nfs/dbraw/zinc/65/73/08/1129657308.db2.gz DXOBVKLBZJXLNW-KRWDZBQOSA-N 0 1 269.392 3.534 20 0 CHADMN CCc1ccc([C@H](NCc2cc3n(n2)CCC3)C(C)C)cc1 ZINC000649553389 1129657869 /nfs/dbraw/zinc/65/78/69/1129657869.db2.gz NPFUEKHPSCTYNM-LJQANCHMSA-N 0 1 297.446 3.879 20 0 CHADMN CCc1ccc(O)c(NC(=O)c2c(O)cccc2Cl)c1 ZINC000746410977 1129658310 /nfs/dbraw/zinc/65/83/10/1129658310.db2.gz CGWYCXFTKNDZDZ-UHFFFAOYSA-N 0 1 291.734 3.566 20 0 CHADMN CC[C@@H](NCc1cc2n(n1)CCCC2)c1ccc(C)cc1 ZINC000649573850 1129659120 /nfs/dbraw/zinc/65/91/20/1129659120.db2.gz RQBKULRDUOPWPD-GOSISDBHSA-N 0 1 283.419 3.769 20 0 CHADMN CC(C)Oc1ccnc(CN[C@@H](C)c2ccccc2)c1 ZINC000649573792 1129659209 /nfs/dbraw/zinc/65/92/09/1129659209.db2.gz PXNQGNRRZUONSQ-AWEZNQCLSA-N 0 1 270.376 3.720 20 0 CHADMN c1c(CN[C@H](CC2CCC2)c2ccccc2)nn2c1CCC2 ZINC000649578126 1129659798 /nfs/dbraw/zinc/65/97/98/1129659798.db2.gz IGKZDOKHXOUZOI-LJQANCHMSA-N 0 1 295.430 3.850 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1nc2ccc(C)cc2[nH]1 ZINC000766377179 1129661756 /nfs/dbraw/zinc/66/17/56/1129661756.db2.gz HGCUKMFDEOQTQJ-MRXNPFEDSA-N 0 1 291.398 3.957 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1nc2cc(C)ccc2[nH]1 ZINC000766377179 1129661758 /nfs/dbraw/zinc/66/17/58/1129661758.db2.gz HGCUKMFDEOQTQJ-MRXNPFEDSA-N 0 1 291.398 3.957 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1nc2ccc(C)cc2[nH]1 ZINC000766377179 1129661760 /nfs/dbraw/zinc/66/17/60/1129661760.db2.gz HGCUKMFDEOQTQJ-MRXNPFEDSA-N 0 1 291.398 3.957 20 0 CHADMN Cc1ccccc1CN(CCC(C)(C)O)Cc1ccccn1 ZINC000649620207 1129664001 /nfs/dbraw/zinc/66/40/01/1129664001.db2.gz RELLBBWPLGIAHT-UHFFFAOYSA-N 0 1 298.430 3.553 20 0 CHADMN Fc1cccc(-c2cnc(CN3CCC34CCCC4)o2)c1 ZINC000649656937 1129666433 /nfs/dbraw/zinc/66/64/33/1129666433.db2.gz GOYXCDOEXTUMBJ-UHFFFAOYSA-N 0 1 286.350 3.999 20 0 CHADMN C[C@@]1(c2cccc(F)c2)CCN(CCC(F)(F)F)C1 ZINC000649662583 1129667886 /nfs/dbraw/zinc/66/78/86/1129667886.db2.gz JIXPPAPMKPVDMC-CYBMUJFWSA-N 0 1 275.289 3.742 20 0 CHADMN CC(C)O[C@@H]1CCCN([C@H](C)c2cc(F)ccc2F)C1 ZINC000649698963 1129671657 /nfs/dbraw/zinc/67/16/57/1129671657.db2.gz FPXSOIAVIALOSX-TZMCWYRMSA-N 0 1 283.362 3.915 20 0 CHADMN CCc1nocc1CN[C@H](CC)c1ccc(C)c(F)c1 ZINC001168826013 1129674699 /nfs/dbraw/zinc/67/46/99/1129674699.db2.gz NKSIDRSWKYTCEG-OAHLLOKOSA-N 0 1 276.355 3.925 20 0 CHADMN C[C@@H](CO)C1CCN([C@H](C)c2cccc(Cl)c2F)CC1 ZINC000649798911 1129678404 /nfs/dbraw/zinc/67/84/04/1129678404.db2.gz KSJAZIOMRXSEAO-NWDGAFQWSA-N 0 1 299.817 3.881 20 0 CHADMN Cc1nn(C)cc1CN(C)Cc1oc2c(cccc2C)c1C ZINC000649820249 1129679968 /nfs/dbraw/zinc/67/99/68/1129679968.db2.gz XSWZHMUVYPLMHB-UHFFFAOYSA-N 0 1 297.402 3.724 20 0 CHADMN Cc1cc(CN2C[C@@H](C)OCC23CCC3)c2ccccc2n1 ZINC000649824173 1129680084 /nfs/dbraw/zinc/68/00/84/1129680084.db2.gz YBMIKSBWDLKTMQ-OAHLLOKOSA-N 0 1 296.414 3.687 20 0 CHADMN CC(C)c1noc([C@H](C)N2CCc3ccccc3[C@@H](C)C2)n1 ZINC000649833111 1129680709 /nfs/dbraw/zinc/68/07/09/1129680709.db2.gz FLFFDCIJGFRBQG-KBPBESRZSA-N 0 1 299.418 3.916 20 0 CHADMN COc1c(Cl)ccc(Nc2noc(C(C)(C)C)n2)c1F ZINC001212581960 1129680938 /nfs/dbraw/zinc/68/09/38/1129680938.db2.gz DTEWFGUSLZUSJH-UHFFFAOYSA-N 0 1 299.733 3.912 20 0 CHADMN CCc1noc(CC)c1CN[C@@H]1CCc2cc(C)ccc21 ZINC000766559318 1129687513 /nfs/dbraw/zinc/68/75/13/1129687513.db2.gz IYMGANZCRPFXEQ-QGZVFWFLSA-N 0 1 284.403 3.885 20 0 CHADMN CC(C)C[C@H](Cc1ccccc1)NC1(c2ncccn2)CC1 ZINC001169066544 1129694999 /nfs/dbraw/zinc/69/49/99/1129694999.db2.gz ASPFWYHMXYVKNS-QGZVFWFLSA-N 0 1 295.430 3.713 20 0 CHADMN CC(C)C[C@H](Cc1ccccc1)N(C)Cc1ccon1 ZINC001169083836 1129698128 /nfs/dbraw/zinc/69/81/28/1129698128.db2.gz GZLCTOGKYJONOI-QGZVFWFLSA-N 0 1 272.392 3.764 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc3c(c2)C[C@H](C)O3)o1 ZINC000720781666 1129699615 /nfs/dbraw/zinc/69/96/15/1129699615.db2.gz RXJAIUQLACEOKO-QWHCGFSZSA-N 0 1 271.360 3.762 20 0 CHADMN CCn1cc([C@@H](C)N[C@@H]2CCc3c2cc(F)cc3F)cn1 ZINC000650210141 1129700363 /nfs/dbraw/zinc/70/03/63/1129700363.db2.gz CSXIYVHEFPVSII-QLJPJBMISA-N 0 1 291.345 3.519 20 0 CHADMN CCn1cc([C@H](C)N[C@H]2CCc3c2cc(F)cc3F)cn1 ZINC000650210140 1129700470 /nfs/dbraw/zinc/70/04/70/1129700470.db2.gz CSXIYVHEFPVSII-QFYYESIMSA-N 0 1 291.345 3.519 20 0 CHADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@@H](C)C2CCCCCC2)n1 ZINC001169136087 1129702116 /nfs/dbraw/zinc/70/21/16/1129702116.db2.gz KGANOTZEFNIPRZ-STQMWFEESA-N 0 1 277.412 3.500 20 0 CHADMN C[C@@H](N[C@@H](C)C1CCCCCC1)c1nc(C2CC2)no1 ZINC001169136576 1129702617 /nfs/dbraw/zinc/70/26/17/1129702617.db2.gz PHUVWWWVGPYFCT-NWDGAFQWSA-N 0 1 277.412 3.957 20 0 CHADMN CC(C)(C)CCCN1CCO[C@H](COc2ccccc2)C1 ZINC001169232147 1129710568 /nfs/dbraw/zinc/71/05/68/1129710568.db2.gz CFNQHXIXRRFFOW-KRWDZBQOSA-N 0 1 291.435 3.593 20 0 CHADMN Fc1cc(CN2CC[C@@H](COCC3CC3)C2)ccc1Cl ZINC001137654515 1131392756 /nfs/dbraw/zinc/39/27/56/1131392756.db2.gz VTAZJDUQPGBXOB-CQSZACIVSA-N 0 1 297.801 3.728 20 0 CHADMN CC1(C)CCCN(Cc2cc3c(cc2Cl)OCCO3)C1 ZINC001169301519 1129717766 /nfs/dbraw/zinc/71/77/66/1129717766.db2.gz VFRXUJAUKYLWNQ-UHFFFAOYSA-N 0 1 295.810 3.733 20 0 CHADMN C[C@H](NCc1ccnc(F)c1)c1cc2ccccc2o1 ZINC001169306206 1129718366 /nfs/dbraw/zinc/71/83/66/1129718366.db2.gz AIIGPZMRFMYKGQ-NSHDSACASA-N 0 1 270.307 3.818 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1c(F)cccc1F ZINC001239574096 1131393196 /nfs/dbraw/zinc/39/31/96/1131393196.db2.gz OVZGROHGMPACQT-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN Cc1nccc(N[C@H]2C[C@H](C)c3ccccc32)c1F ZINC001169382269 1129723671 /nfs/dbraw/zinc/72/36/71/1129723671.db2.gz WXHSYXHTDODHMN-BONVTDFDSA-N 0 1 256.324 3.611 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNC2(C)CC(F)(F)C2)o1 ZINC000720949038 1129723957 /nfs/dbraw/zinc/72/39/57/1129723957.db2.gz HZFBAOUHMZLLKR-MWLCHTKSSA-N 0 1 255.308 3.680 20 0 CHADMN CC(C)CCCCCC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000766691772 1129725905 /nfs/dbraw/zinc/72/59/05/1129725905.db2.gz LGABBHZUEDHIGB-AWEZNQCLSA-N 0 1 277.412 3.510 20 0 CHADMN CC[C@H](C)c1ccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000766693001 1129726054 /nfs/dbraw/zinc/72/60/54/1129726054.db2.gz RJWRASXWRCHGTQ-BLLLJJGKSA-N 0 1 297.402 3.731 20 0 CHADMN Cc1nc(-c2ccccc2)sc1[C@@H](C)NCc1c[nH]cn1 ZINC000796449837 1129728184 /nfs/dbraw/zinc/72/81/84/1129728184.db2.gz LYCPSGBDAUTWDB-LLVKDONJSA-N 0 1 298.415 3.692 20 0 CHADMN Cc1ccc(C)c(NC[C@H](C)c2ccc(O)cc2)n1 ZINC001169533192 1129732991 /nfs/dbraw/zinc/73/29/91/1129732991.db2.gz LRJGOWFKPAIPKN-LBPRGKRZSA-N 0 1 256.349 3.620 20 0 CHADMN Cc1cnc(NC[C@H](C)c2ccc(O)cc2)c2[nH]ccc21 ZINC001169536176 1129734368 /nfs/dbraw/zinc/73/43/68/1129734368.db2.gz UDSAMYZOONNDQC-NSHDSACASA-N 0 1 281.359 3.793 20 0 CHADMN Cc1cc(CN[C@H]2CC[C@H](C)c3ccsc32)ncn1 ZINC000651280096 1129735637 /nfs/dbraw/zinc/73/56/37/1129735637.db2.gz JGPXERZXFOEXOP-HZMBPMFUSA-N 0 1 273.405 3.575 20 0 CHADMN CCOC(=O)C1(CNc2nccc3cc(C)ccc32)CCC1 ZINC001169553427 1129736344 /nfs/dbraw/zinc/73/63/44/1129736344.db2.gz QIJDVRWWOPXQGH-UHFFFAOYSA-N 0 1 298.386 3.689 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Cl)cc2F)C2(CC2)C1 ZINC001137661300 1131394605 /nfs/dbraw/zinc/39/46/05/1131394605.db2.gz NZFSPWCIHLMPQQ-JTQLQIEISA-N 0 1 253.748 3.854 20 0 CHADMN c1ccc(-c2nc3ccc(N[C@H]4CCCOC4)cc3[nH]2)cc1 ZINC001169668352 1129746000 /nfs/dbraw/zinc/74/60/00/1129746000.db2.gz VNGYTQOYZVWMSS-HNNXBMFYSA-N 0 1 293.370 3.821 20 0 CHADMN Fc1cc(Cl)ccc1CN1CC[C@H](COCC2CC2)C1 ZINC001137660960 1131394843 /nfs/dbraw/zinc/39/48/43/1131394843.db2.gz BKXSKORLUGAQPH-ZDUSSCGKSA-N 0 1 297.801 3.728 20 0 CHADMN Cc1cc(F)cc2c1CN(C[C@@H]1CCC(C)(C)CO1)CC2 ZINC001169696315 1129747922 /nfs/dbraw/zinc/74/79/22/1129747922.db2.gz GUIIAHXVWZCJAW-INIZCTEOSA-N 0 1 291.410 3.697 20 0 CHADMN Cc1ccncc1CN(C)Cc1cccc2c1CCC2 ZINC000651791246 1129748327 /nfs/dbraw/zinc/74/83/27/1129748327.db2.gz JJTFVHFUEFHHRD-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN CC(C)OCc1nc([C@H](C)N[C@@H]2CCCCC[C@H]2C)no1 ZINC000651815017 1129749223 /nfs/dbraw/zinc/74/92/23/1129749223.db2.gz SYLGJYVVFKZLAC-HZSPNIEDSA-N 0 1 295.427 3.614 20 0 CHADMN Fc1cccc2c1CN(CC1CCC(F)(F)CC1)CCO2 ZINC001169714795 1129750281 /nfs/dbraw/zinc/75/02/81/1129750281.db2.gz FACYTWPLAKJHPC-UHFFFAOYSA-N 0 1 299.336 3.846 20 0 CHADMN CCn1cc(CN(C)[C@@H](C)CSc2ccccc2)cn1 ZINC000651875730 1129750886 /nfs/dbraw/zinc/75/08/86/1129750886.db2.gz ZVOQVZPGUJMAHN-AWEZNQCLSA-N 0 1 289.448 3.516 20 0 CHADMN CCn1cc(CN(C)[C@H](C)CSc2ccccc2)cn1 ZINC000651875731 1129751320 /nfs/dbraw/zinc/75/13/20/1129751320.db2.gz ZVOQVZPGUJMAHN-CQSZACIVSA-N 0 1 289.448 3.516 20 0 CHADMN CC1(C)CCC[C@H](CN2CC[C@@](F)(c3ccccc3)C2)O1 ZINC001169746344 1129752010 /nfs/dbraw/zinc/75/20/10/1129752010.db2.gz YGTWBPOHKIMBLX-AEFFLSMTSA-N 0 1 291.410 3.905 20 0 CHADMN c1nc2ccc(N[C@@H]3CCO[C@@H](c4ccccc4)C3)cc2[nH]1 ZINC001169757460 1129754112 /nfs/dbraw/zinc/75/41/12/1129754112.db2.gz DJOFLMTVPHTFDR-CRAIPNDOSA-N 0 1 293.370 3.895 20 0 CHADMN c1ncn2cccc(N[C@@H]3CCO[C@@H](c4ccccc4)C3)c12 ZINC001169757782 1129754146 /nfs/dbraw/zinc/75/41/46/1129754146.db2.gz HOCRXUQETHZXNT-CRAIPNDOSA-N 0 1 293.370 3.667 20 0 CHADMN CCn1cc(CN(C)Cc2oc3c(cccc3C)c2C)cn1 ZINC000651973979 1129754694 /nfs/dbraw/zinc/75/46/94/1129754694.db2.gz NVINBDPZLJKWRZ-UHFFFAOYSA-N 0 1 297.402 3.898 20 0 CHADMN CC(C)n1cncc1CN1CCc2ccccc2[C@@H](C)C1 ZINC000651977319 1129754781 /nfs/dbraw/zinc/75/47/81/1129754781.db2.gz FHQPBUKMAUISBX-HNNXBMFYSA-N 0 1 283.419 3.626 20 0 CHADMN Cc1c2cccc(C)c2oc1CN(C)Cc1ccc(CO)o1 ZINC000651973967 1129754851 /nfs/dbraw/zinc/75/48/51/1129754851.db2.gz NGFBAMLLRLFXFL-UHFFFAOYSA-N 0 1 299.370 3.767 20 0 CHADMN CCCc1ccc(CN2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC001169771494 1129755300 /nfs/dbraw/zinc/75/53/00/1129755300.db2.gz LFSOGUVMXQAHSG-QGZVFWFLSA-N 0 1 269.392 3.699 20 0 CHADMN Fc1ccc(/C=C/C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000652063061 1129757346 /nfs/dbraw/zinc/75/73/46/1129757346.db2.gz CKWIMUGSUVYITN-VSZDKKFSSA-N 0 1 267.294 3.570 20 0 CHADMN Cc1cc2nccn2cc1N[C@@H]1C[C@H]1c1ccccc1 ZINC001169812697 1129758694 /nfs/dbraw/zinc/75/86/94/1129758694.db2.gz NNMITGFJVLYSEL-LSDHHAIUSA-N 0 1 263.344 3.611 20 0 CHADMN Cc1ccccc1C1(N[C@@H]2C[C@H](C)n3ccnc32)CCC1 ZINC000652216789 1129760291 /nfs/dbraw/zinc/76/02/91/1129760291.db2.gz GNNGKUPODFFFJU-GOEBONIOSA-N 0 1 281.403 3.866 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCC2(CCCOC2)CC1 ZINC001137661832 1131395754 /nfs/dbraw/zinc/39/57/54/1131395754.db2.gz BXWNTDAVSFHEMK-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1 ZINC000652266435 1129761581 /nfs/dbraw/zinc/76/15/81/1129761581.db2.gz CTBMOVOVRCSVLD-MBNYWOFBSA-N 0 1 299.370 3.526 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H](C)COCC2CC2)cs1 ZINC000652287510 1129762808 /nfs/dbraw/zinc/76/28/08/1129762808.db2.gz ZBVKWOMWQLBRLQ-RYUDHWBXSA-N 0 1 282.453 3.732 20 0 CHADMN Cc1ccc(-n2cnc3c2CCN(CC2CCCC2)C3)cc1 ZINC001169908533 1129764317 /nfs/dbraw/zinc/76/43/17/1129764317.db2.gz QMSHJFWMQNAVNY-UHFFFAOYSA-N 0 1 295.430 3.729 20 0 CHADMN CC1CCC([N@@H+](Cc2ccccc2C(=O)[O-])C2CC2)CC1 ZINC000652396753 1129764641 /nfs/dbraw/zinc/76/46/41/1129764641.db2.gz ULHBVNHRPGVEHE-UHFFFAOYSA-N 0 1 287.403 3.928 20 0 CHADMN Cc1cc(C)cc([C@H]2CC[N@@H+](CCCCCC(=O)[O-])C2)c1 ZINC000652443764 1129764770 /nfs/dbraw/zinc/76/47/70/1129764770.db2.gz YICMXNLJTVPFGM-INIZCTEOSA-N 0 1 289.419 3.738 20 0 CHADMN O=C([O-])c1ccccc1CC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000652415420 1129765080 /nfs/dbraw/zinc/76/50/80/1129765080.db2.gz QDMWUBWDIGFGRO-QGZVFWFLSA-N 0 1 287.403 3.582 20 0 CHADMN COc1ccc(-c2cc(F)c3c(c2)CN(C)CC3)cc1F ZINC001239581427 1131397063 /nfs/dbraw/zinc/39/70/63/1131397063.db2.gz PZCFKERICOYYIY-UHFFFAOYSA-N 0 1 289.325 3.628 20 0 CHADMN NC1(c2noc(-c3ccc(C(F)F)cc3F)n2)CCCC1 ZINC000653490565 1129781609 /nfs/dbraw/zinc/78/16/09/1129781609.db2.gz NMUPQPDPPDWHJP-UHFFFAOYSA-N 0 1 297.280 3.541 20 0 CHADMN Cc1ccc(CN[C@@H](CCO)c2ccccc2)c(Cl)c1 ZINC000653599345 1129787373 /nfs/dbraw/zinc/78/73/73/1129787373.db2.gz JYQMOTNYSNHWJB-KRWDZBQOSA-N 0 1 289.806 3.862 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)c(C)o1 ZINC000767364877 1129789247 /nfs/dbraw/zinc/78/92/47/1129789247.db2.gz VONDPQOOWKFQJM-MSOLQXFVSA-N 0 1 285.387 3.906 20 0 CHADMN COCC1=CCN(Cc2cc(C(C)C)ccc2OC)CC1 ZINC000653622821 1129789341 /nfs/dbraw/zinc/78/93/41/1129789341.db2.gz VJNJAZDVHDHYQK-UHFFFAOYSA-N 0 1 289.419 3.597 20 0 CHADMN COc1ccc(C2(NCc3cc(C)oc3C)CC2)cc1 ZINC000767381228 1129791373 /nfs/dbraw/zinc/79/13/73/1129791373.db2.gz AKOGBDOPOJZGGM-UHFFFAOYSA-N 0 1 271.360 3.684 20 0 CHADMN FCCN(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000767431358 1129793687 /nfs/dbraw/zinc/79/36/87/1129793687.db2.gz SMKIZPACPVZRGC-UHFFFAOYSA-N 0 1 270.351 3.683 20 0 CHADMN CCCCCn1cc(CNCc2cc(C)oc2C)c(C)n1 ZINC000767428087 1129793767 /nfs/dbraw/zinc/79/37/67/1129793767.db2.gz ZMATVQLZCPKQQS-UHFFFAOYSA-N 0 1 289.423 3.881 20 0 CHADMN CC1=C(C)C[N@@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000796590352 1129794420 /nfs/dbraw/zinc/79/44/20/1129794420.db2.gz SXNMRIMAMZETEW-OAHLLOKOSA-N 0 1 283.774 3.555 20 0 CHADMN O=C(CCC1CCCCCC1)NCc1ccc2cncn2c1 ZINC000653878129 1129799295 /nfs/dbraw/zinc/79/92/95/1129799295.db2.gz XOCYWMXJARQPRW-UHFFFAOYSA-N 0 1 299.418 3.701 20 0 CHADMN CCCc1noc(CN2CCC[C@H]2CC2CCCC2)n1 ZINC000653893790 1129800455 /nfs/dbraw/zinc/80/04/55/1129800455.db2.gz KIDLTNQFJQAGMM-AWEZNQCLSA-N 0 1 277.412 3.567 20 0 CHADMN COc1cc(C)c(NCc2ccc3nc[nH]c3c2)cc1C ZINC000767739771 1129810794 /nfs/dbraw/zinc/81/07/94/1129810794.db2.gz ZIMBSWFQDAGXQP-UHFFFAOYSA-N 0 1 281.359 3.800 20 0 CHADMN c1cc(-c2nc(CNCCOC3CCC3)cs2)cs1 ZINC000742385706 1129817888 /nfs/dbraw/zinc/81/78/88/1129817888.db2.gz PLRMTAHKPFTDJA-UHFFFAOYSA-N 0 1 294.445 3.530 20 0 CHADMN c1cc2cc(-c3noc([C@@H]4CCCCN4)n3)ccc2s1 ZINC000822808778 1131400008 /nfs/dbraw/zinc/40/00/08/1131400008.db2.gz YDLSYUWMAICBHE-LBPRGKRZSA-N 0 1 285.372 3.766 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000380405974 1129831359 /nfs/dbraw/zinc/83/13/59/1129831359.db2.gz CPDTWHSPBKQDAR-KRWDZBQOSA-N 0 1 281.440 3.780 20 0 CHADMN CN(Cc1cccc(O)c1)Cc1cncc2ccccc21 ZINC000768129348 1129835335 /nfs/dbraw/zinc/83/53/35/1129835335.db2.gz FGNRCIYYEXQGOL-UHFFFAOYSA-N 0 1 278.355 3.572 20 0 CHADMN Cc1n[nH]cc1CN(C)C(c1ccccc1)c1ccccc1 ZINC000768152682 1129835668 /nfs/dbraw/zinc/83/56/68/1129835668.db2.gz SMNDMMZNVSSHKN-UHFFFAOYSA-N 0 1 291.398 3.940 20 0 CHADMN O=C(c1cccc(F)c1O)N1CCC[C@H]1C1CCCCC1 ZINC001626155308 1129840126 /nfs/dbraw/zinc/84/01/26/1129840126.db2.gz VESCZVBAFMRWHM-HNNXBMFYSA-N 0 1 291.366 3.716 20 0 CHADMN c1c2ccccc2sc1CN1CCCCC12COC2 ZINC001137685851 1131401152 /nfs/dbraw/zinc/40/11/52/1131401152.db2.gz YNPGPSYNUXFZBR-UHFFFAOYSA-N 0 1 273.401 3.656 20 0 CHADMN Cc1cncc([C@@H](C)Nc2ccc(CN(C)C)c(F)c2)c1 ZINC000768254570 1129847004 /nfs/dbraw/zinc/84/70/04/1129847004.db2.gz WVLNGFGUHIDWCO-CYBMUJFWSA-N 0 1 287.382 3.764 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)Cc2c(Cl)nc(Cl)n2C)C1 ZINC000768261346 1129848599 /nfs/dbraw/zinc/84/85/99/1129848599.db2.gz CFFLJRIYUGOECC-VHSXEESVSA-N 0 1 290.238 3.737 20 0 CHADMN CCCC[N@@H+](CCC)Cc1ccncc1Br ZINC001137693782 1131402034 /nfs/dbraw/zinc/40/20/34/1131402034.db2.gz XQLIDUXUHUXOPA-UHFFFAOYSA-N 0 1 285.229 3.856 20 0 CHADMN CCCCN(CCC)Cc1ccncc1Br ZINC001137693782 1131402037 /nfs/dbraw/zinc/40/20/37/1131402037.db2.gz XQLIDUXUHUXOPA-UHFFFAOYSA-N 0 1 285.229 3.856 20 0 CHADMN CC[C@@H](C)c1ccc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000768375545 1129854971 /nfs/dbraw/zinc/85/49/71/1129854971.db2.gz IZCZKYHXTBFBOG-OLZOCXBDSA-N 0 1 299.418 3.593 20 0 CHADMN Clc1ccc(-c2nc([C@H]3CCCN3)no2)c2ccoc21 ZINC000900010592 1129856593 /nfs/dbraw/zinc/85/65/93/1129856593.db2.gz UJYGHYJRFKRASZ-LLVKDONJSA-N 0 1 289.722 3.561 20 0 CHADMN NC1(c2noc(-c3ccccc3C3CCC3)n2)CCCC1 ZINC000900005363 1129856624 /nfs/dbraw/zinc/85/66/24/1129856624.db2.gz GTTUYCFSYWWDCJ-UHFFFAOYSA-N 0 1 283.375 3.732 20 0 CHADMN CC(C)c1ccc(NC(=O)Cc2cnc[nH]2)c(C(C)C)c1 ZINC000900180702 1129867796 /nfs/dbraw/zinc/86/77/96/1129867796.db2.gz TVUSDFCDLWJLGH-UHFFFAOYSA-N 0 1 285.391 3.838 20 0 CHADMN C[C@H]1CCN(C(=O)c2cc(C(F)F)n[nH]2)c2ccccc21 ZINC000900254751 1129872165 /nfs/dbraw/zinc/87/21/65/1129872165.db2.gz NAHGSZWXCWMEKS-VIFPVBQESA-N 0 1 291.301 3.501 20 0 CHADMN Nc1cc(C=Cc2ccccc2)ncc1C(F)(F)F ZINC001239591982 1131404013 /nfs/dbraw/zinc/40/40/13/1131404013.db2.gz YSSKMZXTJQGSFL-VOTSOKGWSA-N 0 1 264.250 3.683 20 0 CHADMN Cc1cc(C)c(NC(=O)[C@@H]2C[C@H](C)Cc3cn[nH]c32)c(C)c1 ZINC000900304383 1129876926 /nfs/dbraw/zinc/87/69/26/1129876926.db2.gz APDLKFKJNVZZSJ-IAQYHMDHSA-N 0 1 297.402 3.640 20 0 CHADMN NCc1cc(-c2nc(C3CCCCCCC3)no2)co1 ZINC000822874641 1131404027 /nfs/dbraw/zinc/40/40/27/1131404027.db2.gz CSHXGZHUDDOZLD-UHFFFAOYSA-N 0 1 275.352 3.616 20 0 CHADMN CC[C@@H]1CCCN(Cc2occc2Br)C1 ZINC000768844572 1129877292 /nfs/dbraw/zinc/87/72/92/1129877292.db2.gz BJRNGWHANJVMJM-SNVBAGLBSA-N 0 1 272.186 3.664 20 0 CHADMN Cc1cc(CN(Cc2ccccn2)C(C)C)c(C)o1 ZINC000768926998 1129882205 /nfs/dbraw/zinc/88/22/05/1129882205.db2.gz URKXVFDURZFARL-UHFFFAOYSA-N 0 1 258.365 3.702 20 0 CHADMN CCN(CCc1ccccn1)Cc1cccc(Cl)c1F ZINC000769037569 1129887217 /nfs/dbraw/zinc/88/72/17/1129887217.db2.gz PIMIFKGHUCELMJ-UHFFFAOYSA-N 0 1 292.785 3.939 20 0 CHADMN CN(Cc1c(Cl)nc2ccccn21)CC1CCCC1 ZINC000769191458 1129892475 /nfs/dbraw/zinc/89/24/75/1129892475.db2.gz AVXOBYSAWAJFKZ-UHFFFAOYSA-N 0 1 277.799 3.610 20 0 CHADMN Cc1cc(CN2CCC[C@H](C)[C@@H]2C)cnc1Cl ZINC000769221605 1129896339 /nfs/dbraw/zinc/89/63/39/1129896339.db2.gz BASDXYRBJQAJEC-JQWIXIFHSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1ccccc1[C@@H]1CCN(Cc2coc(C3CC3)n2)C1 ZINC000769233943 1129897752 /nfs/dbraw/zinc/89/77/52/1129897752.db2.gz RWUCWCUVSQYWDY-OAHLLOKOSA-N 0 1 282.387 3.850 20 0 CHADMN Fc1cccc2c1CCN(Cc1nccc3ccccc31)C2 ZINC000769387470 1129905612 /nfs/dbraw/zinc/90/56/12/1129905612.db2.gz KQOVRBZJFVYWGU-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2occc2Br)C1 ZINC000769445181 1129906433 /nfs/dbraw/zinc/90/64/33/1129906433.db2.gz FVQOGFMVPHLWNL-NXEZZACHSA-N 0 1 272.186 3.663 20 0 CHADMN Clc1ccc2ncc(CN3CCC4(CCCC4)C3)n2c1 ZINC000769403898 1129906918 /nfs/dbraw/zinc/90/69/18/1129906918.db2.gz ZTYVPLBOVHQHQX-UHFFFAOYSA-N 0 1 289.810 3.754 20 0 CHADMN c1cc(CN2CCS[C@@H](c3ccccc3)C2)co1 ZINC000769424951 1129907752 /nfs/dbraw/zinc/90/77/52/1129907752.db2.gz AQSBBYYSFJRXNR-OAHLLOKOSA-N 0 1 259.374 3.570 20 0 CHADMN Cc1cc(CN2C[C@H](C)CC[C@@H]2C)cnc1Cl ZINC000769444925 1129908410 /nfs/dbraw/zinc/90/84/10/1129908410.db2.gz AEZUZLQSVRHCOD-PWSUYJOCSA-N 0 1 252.789 3.664 20 0 CHADMN COC(=O)c1cc2ccc(-c3c(C)cccc3C)[nH]c-2n1 ZINC001239596096 1131406528 /nfs/dbraw/zinc/40/65/28/1131406528.db2.gz KTRSOEQMTBXHGD-UHFFFAOYSA-N 0 1 280.327 3.633 20 0 CHADMN CC(C)C[C@H]1CCCCN1Cc1coc(C2CC2)n1 ZINC000769484824 1129909644 /nfs/dbraw/zinc/90/96/44/1129909644.db2.gz MBEFMUUUPRCRQQ-OAHLLOKOSA-N 0 1 262.397 3.953 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1coc(C2CC2)n1 ZINC000769498783 1129914064 /nfs/dbraw/zinc/91/40/64/1129914064.db2.gz PXPMTWAVBYYZSU-CXAGYDPISA-N 0 1 282.387 3.930 20 0 CHADMN Cc1cc(CN2CC[C@H]2Cc2ccccc2)cnc1Cl ZINC000769505958 1129914805 /nfs/dbraw/zinc/91/48/05/1129914805.db2.gz LPEPTRAFAUXGEW-INIZCTEOSA-N 0 1 286.806 3.860 20 0 CHADMN CC[C@]1(C)CCN(Cc2cnc(Cl)c(C)c2)C1 ZINC000769518762 1129915950 /nfs/dbraw/zinc/91/59/50/1129915950.db2.gz BZGDKKYHTOYNSZ-CQSZACIVSA-N 0 1 252.789 3.665 20 0 CHADMN Cc1nnsc1[C@H](C)Sc1nc2ccc(C)cc2[nH]1 ZINC000901377688 1129919097 /nfs/dbraw/zinc/91/90/97/1129919097.db2.gz SGHDTCZOHUTZCC-VIFPVBQESA-N 0 1 290.417 3.885 20 0 CHADMN CCc1ccccc1NC(=O)c1c(O)cccc1Cl ZINC000769646996 1129920124 /nfs/dbraw/zinc/92/01/24/1129920124.db2.gz FMALOVGMKQUOMR-UHFFFAOYSA-N 0 1 275.735 3.860 20 0 CHADMN CC[N@@H+](CC(=O)[O-])Cc1ccccc1-c1ccccc1C ZINC000901427317 1129924403 /nfs/dbraw/zinc/92/44/03/1129924403.db2.gz YUGKYWXQEYWSEA-UHFFFAOYSA-N 0 1 283.371 3.569 20 0 CHADMN C[C@H](NCc1cc(Cl)nc(Cl)c1)c1cccc(O)c1 ZINC000769905718 1129929440 /nfs/dbraw/zinc/92/94/40/1129929440.db2.gz XIEIQAUZSBZBBL-VIFPVBQESA-N 0 1 297.185 3.945 20 0 CHADMN C[C@@H]1CN(Cc2cccc(F)c2Br)C2(CC2)C1 ZINC001137722554 1131408938 /nfs/dbraw/zinc/40/89/38/1131408938.db2.gz WIENOLKJFZGXHK-JTQLQIEISA-N 0 1 298.199 3.963 20 0 CHADMN O=C([O-])C[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CC=CCC1 ZINC000901590318 1129938114 /nfs/dbraw/zinc/93/81/14/1129938114.db2.gz HULREDSUTCQMOA-ZDUSSCGKSA-N 0 1 293.794 3.583 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@@H+](CCC(=O)[O-])CC1CC1 ZINC000901615258 1129939198 /nfs/dbraw/zinc/93/91/98/1129939198.db2.gz VWKXQFZFSBSBSO-UHFFFAOYSA-N 0 1 295.810 3.644 20 0 CHADMN C[C@@H]1CCCC[C@H]1C[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1 ZINC000901626645 1129939376 /nfs/dbraw/zinc/93/93/76/1129939376.db2.gz BVNIVVHZABCMAS-HIFRSBDPSA-N 0 1 293.382 3.539 20 0 CHADMN CCc1nc2cc(CNCc3ccoc3)ccc2n1C1CC1 ZINC000801731051 1129940584 /nfs/dbraw/zinc/94/05/84/1129940584.db2.gz QQUWZVAQGVZLOU-UHFFFAOYSA-N 0 1 295.386 3.816 20 0 CHADMN CCc1nc([C@@H](C)S[C@@H](COC)c2ccccc2)n[nH]1 ZINC000901665977 1129942470 /nfs/dbraw/zinc/94/24/70/1129942470.db2.gz AZTYWSCXYKBHKM-YPMHNXCESA-N 0 1 291.420 3.549 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)/C=C3/CC[C@@H](C)C3)ccc12 ZINC000770256266 1129943819 /nfs/dbraw/zinc/94/38/19/1129943819.db2.gz BMLVAYYOQRPPDM-BKLZJWBFSA-N 0 1 269.348 3.556 20 0 CHADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000901699227 1129945316 /nfs/dbraw/zinc/94/53/16/1129945316.db2.gz MWCPGPCKCVZGDN-GOSISDBHSA-N 0 1 299.370 3.633 20 0 CHADMN CCc1cccc(Cl)c1C[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000901701783 1129945441 /nfs/dbraw/zinc/94/54/41/1129945441.db2.gz XDPSCAMWWBAOCK-INIZCTEOSA-N 0 1 295.810 3.589 20 0 CHADMN Cc1ccnc(NCC[C@]2(C)CC2(Cl)Cl)c1 ZINC000829058393 1131410714 /nfs/dbraw/zinc/41/07/14/1131410714.db2.gz HWUMQGFTXSDJAX-LLVKDONJSA-N 0 1 259.180 3.776 20 0 CHADMN CC1=C[C@H](C)C[C@H](C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])C1 ZINC000901990793 1129969775 /nfs/dbraw/zinc/96/97/75/1129969775.db2.gz SEMLUKXITDIRBN-YEWWUXTCSA-N 0 1 299.414 3.663 20 0 CHADMN CCCC1CCC(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)CC1 ZINC000901994069 1129970561 /nfs/dbraw/zinc/97/05/61/1129970561.db2.gz VGZZXBKYPRAJLD-NFOMZHRRSA-N 0 1 281.440 3.778 20 0 CHADMN CCC[C@@H](C[N@H+]1CCC[C@H]1CC(=O)[O-])c1ccccc1 ZINC000902007701 1129970971 /nfs/dbraw/zinc/97/09/71/1129970971.db2.gz OSRGZEPKFUYUET-HOTGVXAUSA-N 0 1 275.392 3.509 20 0 CHADMN C[C@H](C[N@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000902018447 1129971814 /nfs/dbraw/zinc/97/18/14/1129971814.db2.gz USGVRMSQYXFLGG-JMSVASOKSA-N 0 1 295.810 3.629 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)[C@@H](C(=O)[O-])C1 ZINC000902018090 1129972040 /nfs/dbraw/zinc/97/20/40/1129972040.db2.gz TXFXLBCXWJASTK-XJKSGUPXSA-N 0 1 299.370 3.632 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)c1cccc(Cl)c1 ZINC000902023457 1129972166 /nfs/dbraw/zinc/97/21/66/1129972166.db2.gz XAXCVQBRSYVGBF-DOMZBBRYSA-N 0 1 297.826 3.875 20 0 CHADMN Cc1cc(Cl)cc(C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000902018775 1129972228 /nfs/dbraw/zinc/97/22/28/1129972228.db2.gz BXKGPDFFUAYQSC-AWEZNQCLSA-N 0 1 283.799 3.580 20 0 CHADMN O=C([O-])[C@H]1CCCCC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000902038820 1129973262 /nfs/dbraw/zinc/97/32/62/1129973262.db2.gz CGZLHEIHHMAFGG-MRXNPFEDSA-N 0 1 299.370 3.776 20 0 CHADMN CC[C@@H](C[N@H+]1CCCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000902039252 1129973492 /nfs/dbraw/zinc/97/34/92/1129973492.db2.gz QGRGKZHXEZWAMX-HOCLYGCPSA-N 0 1 275.392 3.509 20 0 CHADMN CC[N@@H+](CCC(C)(C)C(=O)[O-])Cc1ccc(Cl)s1 ZINC000902071670 1129977432 /nfs/dbraw/zinc/97/74/32/1129977432.db2.gz GIQZABNKYSMFLW-UHFFFAOYSA-N 0 1 289.828 3.724 20 0 CHADMN CCCN1Cc2cccc(NC(=O)/C=C(\C)CC)c2C1 ZINC000823038137 1131411558 /nfs/dbraw/zinc/41/15/58/1131411558.db2.gz SBNCAAACCYPHAF-JLHYYAGUSA-N 0 1 272.392 3.707 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2CCCc3nc(C)ncc32)c(C)n1 ZINC000771391554 1129979195 /nfs/dbraw/zinc/97/91/95/1129979195.db2.gz RUWXYTAAEVJHCG-SUMWQHHRSA-N 0 1 296.418 3.525 20 0 CHADMN CCN(C)c1ccccc1CN[C@@H](C)c1ccc(F)cn1 ZINC000771396402 1129979211 /nfs/dbraw/zinc/97/92/11/1129979211.db2.gz PKPBZOPZVBOLKU-ZDUSSCGKSA-N 0 1 287.382 3.528 20 0 CHADMN CC(C)n1c2ccccc2nc1[C@H]1CCCN(CCF)C1 ZINC000746506415 1129980996 /nfs/dbraw/zinc/98/09/96/1129980996.db2.gz UUVMDTJOAUVIAI-AWEZNQCLSA-N 0 1 289.398 3.766 20 0 CHADMN CCc1cc(OC)ccc1-c1nccc2c1ccn2C ZINC001242694373 1129981613 /nfs/dbraw/zinc/98/16/13/1129981613.db2.gz SASMHQWKJCJGCS-UHFFFAOYSA-N 0 1 266.344 3.811 20 0 CHADMN C[C@H](CC(=O)Nc1cc(F)cc(Cl)c1O)C1CC1 ZINC000771506392 1129982924 /nfs/dbraw/zinc/98/29/24/1129982924.db2.gz UCYSKBWABZJBME-SSDOTTSWSA-N 0 1 271.719 3.559 20 0 CHADMN O=C(/C=C/c1cccs1)Nc1cc(F)cc(Cl)c1O ZINC000771504721 1129983231 /nfs/dbraw/zinc/98/32/31/1129983231.db2.gz LWLUFRBXGMSTKV-ONEGZZNKSA-N 0 1 297.738 3.898 20 0 CHADMN CCc1oc(C[N@@H+]2CCC[C@@H](CC)CC2)cc1C(=O)[O-] ZINC000902284595 1129996566 /nfs/dbraw/zinc/99/65/66/1129996566.db2.gz FVKMANCNXYQBHB-GFCCVEGCSA-N 0 1 279.380 3.552 20 0 CHADMN c1ccc([C@@H]2CCN2Cc2ccc3c(c2)COC3)cc1 ZINC000771938443 1129997320 /nfs/dbraw/zinc/99/73/20/1129997320.db2.gz LQMNNMDSGFYGJO-SFHVURJKSA-N 0 1 265.356 3.664 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000902324686 1130000215 /nfs/dbraw/zinc/00/02/15/1130000215.db2.gz GUWQZSIKZHMWHM-OAHLLOKOSA-N 0 1 299.370 3.584 20 0 CHADMN CNc1ccc(C)cc1CN[C@@H]1COc2ccc(C)cc21 ZINC000902330985 1130000856 /nfs/dbraw/zinc/00/08/56/1130000856.db2.gz QYFWOURCYHZSCT-QGZVFWFLSA-N 0 1 282.387 3.568 20 0 CHADMN CCCC1CCN(Cc2cccnc2Cl)CC1 ZINC000052717508 1130015961 /nfs/dbraw/zinc/01/59/61/1130015961.db2.gz ASLBPOSAYGQNPQ-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN CNc1ccccc1CN[C@H](C)c1cccc(F)c1F ZINC000902436663 1130011478 /nfs/dbraw/zinc/01/14/78/1130011478.db2.gz FJNJIYZFPKSJJX-LLVKDONJSA-N 0 1 276.330 3.857 20 0 CHADMN CCc1oc(C[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)cc1C(=O)[O-] ZINC000902436803 1130012036 /nfs/dbraw/zinc/01/20/36/1130012036.db2.gz KVUBXCNAHPPIMT-YVEFUNNKSA-N 0 1 291.391 3.552 20 0 CHADMN CCn1cnc(CN[C@H](CC2CCC2)c2ccccc2)c1 ZINC000902469619 1130014845 /nfs/dbraw/zinc/01/48/45/1130014845.db2.gz YVETWKSLMNHQNO-GOSISDBHSA-N 0 1 283.419 3.924 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902519356 1130020008 /nfs/dbraw/zinc/02/00/08/1130020008.db2.gz WEWNZGRVHQXQQZ-CAONVOGWSA-N 0 1 289.375 3.530 20 0 CHADMN CC(=O)c1cccc(-c2cc3nc[nH]c3c(C)c2)c1 ZINC001239635822 1130026476 /nfs/dbraw/zinc/02/64/76/1130026476.db2.gz ZNACPXCXHAMGAU-UHFFFAOYSA-N 0 1 250.301 3.741 20 0 CHADMN CC(C)(C)SCCONC(=O)C(C)(C)c1ccccc1 ZINC000802730228 1130032684 /nfs/dbraw/zinc/03/26/84/1130032684.db2.gz TYBGVNBZGJETEL-UHFFFAOYSA-N 0 1 295.448 3.544 20 0 CHADMN CCC(CC)[C@@H](N[C@H](C)c1cn(C)nn1)c1ccccc1 ZINC000902758571 1130053759 /nfs/dbraw/zinc/05/37/59/1130053759.db2.gz HYTQTBQDXNCBKO-CXAGYDPISA-N 0 1 286.423 3.643 20 0 CHADMN CC/C=C/COC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000772646032 1130034555 /nfs/dbraw/zinc/03/45/55/1130034555.db2.gz UJFQFIZGEPLBQN-AATRIKPKSA-N 0 1 284.359 3.817 20 0 CHADMN C[C@@H](Nc1ccc(CN(C)C)c(F)c1)[C@@H]1CC1(C)C ZINC000785497363 1130037287 /nfs/dbraw/zinc/03/72/87/1130037287.db2.gz SGCUSARIACPFIZ-RISCZKNCSA-N 0 1 264.388 3.734 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1ccc2[nH]ccc2c1 ZINC001239696842 1130060166 /nfs/dbraw/zinc/06/01/66/1130060166.db2.gz CHTBNULHVZBGJO-UHFFFAOYSA-N 0 1 251.264 3.850 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CNCc1ccc(F)nc1 ZINC000786158926 1130081376 /nfs/dbraw/zinc/08/13/76/1130081376.db2.gz VJAMFPMUKJOUDI-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN CC(C)c1ccc(N(C)C(=O)c2ccc3cncn3c2)cc1 ZINC000786357445 1130090997 /nfs/dbraw/zinc/09/09/97/1130090997.db2.gz UZAVFQLWBDFMPQ-UHFFFAOYSA-N 0 1 293.370 3.734 20 0 CHADMN COc1ccc(C)cc1-c1cc2nc[nH]c2cc1OC ZINC001239769874 1130100764 /nfs/dbraw/zinc/10/07/64/1130100764.db2.gz VIOLJALIHPHVJL-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN CCc1nc(OC)ccc1-c1ccc(CN(C)C)c(F)c1 ZINC001239780506 1130104862 /nfs/dbraw/zinc/10/48/62/1130104862.db2.gz ZVNQOHXINJJOFM-UHFFFAOYSA-N 0 1 288.366 3.520 20 0 CHADMN CCC(F)(F)CN[C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000903069962 1130107758 /nfs/dbraw/zinc/10/77/58/1130107758.db2.gz NEZLMKCRAIFGQF-KBPBESRZSA-N 0 1 275.383 3.607 20 0 CHADMN Cc1ccc2nc(CN[C@@H](c3ccccn3)C3CC3)[nH]c2c1 ZINC000903104862 1130113958 /nfs/dbraw/zinc/11/39/58/1130113958.db2.gz MNUCWKDXKHLZGV-GOSISDBHSA-N 0 1 292.386 3.507 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H](C)c1cnn(CC2CCC2)c1 ZINC000903114104 1130115912 /nfs/dbraw/zinc/11/59/12/1130115912.db2.gz UDTYMMRMAXLARS-HUUCEWRRSA-N 0 1 298.434 3.798 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccoc1)c1cnn(CC2CCC2)c1 ZINC000903124305 1130116243 /nfs/dbraw/zinc/11/62/43/1130116243.db2.gz FFTXOSDPWLJVEG-QWHCGFSZSA-N 0 1 273.380 3.688 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1nccc3c1CCCC3)CC2 ZINC000903183601 1130125888 /nfs/dbraw/zinc/12/58/88/1130125888.db2.gz DRGMAPNMPCGQJN-SFHVURJKSA-N 0 1 296.389 3.877 20 0 CHADMN C[C@@H](NCc1nccc2c1CCCC2)c1ccc(F)cc1 ZINC000903185088 1130126023 /nfs/dbraw/zinc/12/60/23/1130126023.db2.gz PNJPHNLMPFULOQ-CYBMUJFWSA-N 0 1 284.378 3.950 20 0 CHADMN Cc1cncc([C@@H](C)NCc2nccc3c2CCCC3)c1 ZINC000903182805 1130126049 /nfs/dbraw/zinc/12/60/49/1130126049.db2.gz VDXUZJYBIFRYQE-CQSZACIVSA-N 0 1 281.403 3.515 20 0 CHADMN c1ccc2c(c1)CC[C@@H]2NCc1nccc2c1CCCC2 ZINC000903185819 1130126346 /nfs/dbraw/zinc/12/63/46/1130126346.db2.gz XYCKZPKLBCJSKL-SFHVURJKSA-N 0 1 278.399 3.738 20 0 CHADMN COc1ccc(-c2ccc3nc[nH]c3c2C)c(C)c1 ZINC001239826688 1130128149 /nfs/dbraw/zinc/12/81/49/1130128149.db2.gz WDFNLJYEFSREPE-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc3c(c2)ncn3C)oc1C ZINC000903202328 1130129421 /nfs/dbraw/zinc/12/94/21/1130129421.db2.gz AGGCYGBPQNPAPC-GFCCVEGCSA-N 0 1 283.375 3.634 20 0 CHADMN CCN(CCc1ccccn1)Cc1sccc1Cl ZINC000787130129 1130131784 /nfs/dbraw/zinc/13/17/84/1130131784.db2.gz SNGINNBFRUQRJY-UHFFFAOYSA-N 0 1 280.824 3.861 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)cn1)c1ccc2c(c1)CCO2 ZINC000903238426 1130133975 /nfs/dbraw/zinc/13/39/75/1130133975.db2.gz KELMNZOSAYBXIE-NEPJUHHUSA-N 0 1 286.350 3.567 20 0 CHADMN CC(C)[C@@H](Nc1cccc2[nH]nnc21)c1ccc(F)cc1 ZINC001170069118 1130135055 /nfs/dbraw/zinc/13/50/55/1130135055.db2.gz ZNHINRQTGUBLTA-OAHLLOKOSA-N 0 1 284.338 3.906 20 0 CHADMN COc1c(Cl)cccc1CN[C@@H](C)c1cccc(O)c1 ZINC000903245556 1130136023 /nfs/dbraw/zinc/13/60/23/1130136023.db2.gz GOHDFYFNVNQLHV-NSHDSACASA-N 0 1 291.778 3.905 20 0 CHADMN CC(C)c1nc([C@H](C)NCC2(C3(O)CCC3)CC2)cs1 ZINC000903257422 1130138661 /nfs/dbraw/zinc/13/86/61/1130138661.db2.gz GPOHJURQKXSAEX-LBPRGKRZSA-N 0 1 294.464 3.612 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2OC[C@@H]1F)C1CCSCC1 ZINC000903273153 1130142939 /nfs/dbraw/zinc/14/29/39/1130142939.db2.gz UGLREPOKKAQEPQ-HZUKXOBISA-N 0 1 295.423 3.580 20 0 CHADMN CC1(C)C[C@H](N[C@H]2c3ccccc3OC[C@@H]2F)CCS1 ZINC000903282526 1130145128 /nfs/dbraw/zinc/14/51/28/1130145128.db2.gz LSRHFHWZKXOLOS-ZLDLUXBVSA-N 0 1 295.423 3.722 20 0 CHADMN Fc1ccc([C@H](N[C@H]2CCCC3(CC3)C2)c2ncc[nH]2)cc1 ZINC000903280554 1130145414 /nfs/dbraw/zinc/14/54/14/1130145414.db2.gz VELGYMJLGFSNFM-HOTGVXAUSA-N 0 1 299.393 3.951 20 0 CHADMN Cc1nc2c(cncc2-c2cccnc2-c2ccccc2)[nH]1 ZINC001239883564 1130145798 /nfs/dbraw/zinc/14/57/98/1130145798.db2.gz XCWMEMXHDWWOMN-UHFFFAOYSA-N 0 1 286.338 3.995 20 0 CHADMN Cc1nc2c[nH]cc(-c3cccnc3-c3ccccc3)c-2n1 ZINC001239883564 1130145799 /nfs/dbraw/zinc/14/57/99/1130145799.db2.gz XCWMEMXHDWWOMN-UHFFFAOYSA-N 0 1 286.338 3.995 20 0 CHADMN CCc1nc(C)c([C@H](C)N[C@H](C)c2cncs2)s1 ZINC000903309645 1130150820 /nfs/dbraw/zinc/15/08/20/1130150820.db2.gz GDRUKSIAPMHNNF-BDAKNGLRSA-N 0 1 281.450 3.882 20 0 CHADMN CCc1nc2c(s1)[C@H](N[C@@H](C)c1cncs1)CCC2 ZINC000903309045 1130150845 /nfs/dbraw/zinc/15/08/45/1130150845.db2.gz BUVGUOMIYRDINW-VHSXEESVSA-N 0 1 293.461 3.890 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2cncs2)c(C)n1 ZINC000903310513 1130150957 /nfs/dbraw/zinc/15/09/57/1130150957.db2.gz KCOJHQGXDKBFAZ-VXGBXAGGSA-N 0 1 261.394 3.567 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncs1)c1ccc(C(F)F)nc1 ZINC000903312535 1130151449 /nfs/dbraw/zinc/15/14/49/1130151449.db2.gz WOBHUPIVCVYWDY-BDAKNGLRSA-N 0 1 283.347 3.888 20 0 CHADMN C[C@H](N[C@@H](C)c1cc(F)cc(F)c1)c1cncs1 ZINC000903312147 1130152007 /nfs/dbraw/zinc/15/20/07/1130152007.db2.gz SWSQNXMKXXGQKA-IUCAKERBSA-N 0 1 268.332 3.833 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccc1N(C)C)c1cncs1 ZINC000903311514 1130152093 /nfs/dbraw/zinc/15/20/93/1130152093.db2.gz PHZBAQUWASGBHJ-NWDGAFQWSA-N 0 1 275.421 3.621 20 0 CHADMN Cc1cccnc1[C@@H](N[C@H]1CCCc2n[nH]cc21)C(C)(C)C ZINC000903327853 1130155844 /nfs/dbraw/zinc/15/58/44/1130155844.db2.gz ADKSYIOIGZUARY-WMLDXEAASA-N 0 1 298.434 3.868 20 0 CHADMN Cc1cccnc1[C@@H](N[C@@H]1CCCc2n[nH]cc21)C(C)(C)C ZINC000903327852 1130156523 /nfs/dbraw/zinc/15/65/23/1130156523.db2.gz ADKSYIOIGZUARY-RHSMWYFYSA-N 0 1 298.434 3.868 20 0 CHADMN CC=C(C=CC(=O)Nc1nc2ccc(F)cc2[nH]1)CC ZINC000787685229 1130158905 /nfs/dbraw/zinc/15/89/05/1130158905.db2.gz LHQZYZFEULLHAC-ZVBUZHGDSA-N 0 1 273.311 3.553 20 0 CHADMN CC1CCN(CC(=O)Nc2ccc(C3CCC3)cc2)CC1 ZINC000787692079 1130158972 /nfs/dbraw/zinc/15/89/72/1130158972.db2.gz USYDBSWLYATQDS-UHFFFAOYSA-N 0 1 286.419 3.625 20 0 CHADMN Oc1cccc2c1CCC[C@H]2N[C@@H](c1ccccn1)C1CC1 ZINC000903335313 1130160849 /nfs/dbraw/zinc/16/08/49/1130160849.db2.gz NQQRBNQNWHJLMR-VQIMIIECSA-N 0 1 294.398 3.906 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@@H](c1ccccn1)C1CC1)CCC2 ZINC000903338739 1130161768 /nfs/dbraw/zinc/16/17/68/1130161768.db2.gz IXWLSEZUKDMQDL-JKSUJKDBSA-N 0 1 299.443 3.965 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@H](c2ccccn2)C2CC2)cn1 ZINC000903340711 1130162246 /nfs/dbraw/zinc/16/22/46/1130162246.db2.gz SLHUYZXEZCIHNN-DYVFJYSZSA-N 0 1 284.407 3.661 20 0 CHADMN c1c[nH]c([C@@H](NC[C@@H]2CCC=CCCC2)c2cccnc2)n1 ZINC000903344621 1130163896 /nfs/dbraw/zinc/16/38/96/1130163896.db2.gz INNBGVXWXYQKEU-WBVHZDCISA-N 0 1 296.418 3.620 20 0 CHADMN C[C@@H](NCC[C@@H](O)C1CC1)c1cc(Cl)sc1Cl ZINC000903405724 1130171627 /nfs/dbraw/zinc/17/16/27/1130171627.db2.gz QTQCYQXJUAPIAK-GMSGAONNSA-N 0 1 294.247 3.867 20 0 CHADMN Cc1nc(C(C)C)sc1[C@@H](C)NC/C=C/Cl ZINC000903443583 1130177844 /nfs/dbraw/zinc/17/78/44/1130177844.db2.gz IQEMGNOPYSVOPS-VUHVRTRXSA-N 0 1 258.818 3.978 20 0 CHADMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc2ccccc21 ZINC000903401695 1130170332 /nfs/dbraw/zinc/17/03/32/1130170332.db2.gz YLBQIUAYKDJWIN-HNNXBMFYSA-N 0 1 289.762 3.542 20 0 CHADMN C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1ccc(Cl)cn1 ZINC000903426133 1130175158 /nfs/dbraw/zinc/17/51/58/1130175158.db2.gz AIKNDMRQTUUHML-BDJLRTHQSA-N 0 1 287.794 3.932 20 0 CHADMN Clc1ccc2c(n1)[C@@H](N[C@H](c1ccncc1)C1CC1)CC2 ZINC000903427781 1130175361 /nfs/dbraw/zinc/17/53/61/1130175361.db2.gz KAUZPAODQJJGMH-HOCLYGCPSA-N 0 1 299.805 3.858 20 0 CHADMN CC[C@@H](N[C@@H](c1ccncc1)C1CC1)c1cccc(OC)n1 ZINC000903428062 1130176108 /nfs/dbraw/zinc/17/61/08/1130176108.db2.gz CJIUBLCAPCKZKN-CRAIPNDOSA-N 0 1 297.402 3.677 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000903594042 1130183889 /nfs/dbraw/zinc/18/38/89/1130183889.db2.gz BOWUAZKOKFSYHN-HDEZJCGLSA-N 0 1 289.419 3.611 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000903608246 1130184270 /nfs/dbraw/zinc/18/42/70/1130184270.db2.gz XOAUMSCETQSUOJ-BPUTZDHNSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])cc1 ZINC000903627562 1130184725 /nfs/dbraw/zinc/18/47/25/1130184725.db2.gz MMAXSJVQJOVHDE-SJWGOKEGSA-N 0 1 287.403 3.524 20 0 CHADMN CCSc1ccccc1C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000903601684 1130184900 /nfs/dbraw/zinc/18/49/00/1130184900.db2.gz MUFRWDAIIZVXKM-AWEZNQCLSA-N 0 1 295.448 3.730 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+]1CCc2ccc(C(C)C)cc2C1 ZINC000903603439 1130184906 /nfs/dbraw/zinc/18/49/06/1130184906.db2.gz WDGRNEAUSYJCIQ-DYVFJYSZSA-N 0 1 289.419 3.667 20 0 CHADMN C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000903631146 1130185334 /nfs/dbraw/zinc/18/53/34/1130185334.db2.gz KMCHTAYVFMPYFF-CZUORRHYSA-N 0 1 299.370 3.746 20 0 CHADMN C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000903631148 1130185452 /nfs/dbraw/zinc/18/54/52/1130185452.db2.gz KMCHTAYVFMPYFF-XJKSGUPXSA-N 0 1 299.370 3.746 20 0 CHADMN C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000903631597 1130185772 /nfs/dbraw/zinc/18/57/72/1130185772.db2.gz OZCURKVUMXXLJS-GDBMZVCRSA-N 0 1 287.403 3.509 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cnc(Cl)cn2)cc1 ZINC000788479252 1130189132 /nfs/dbraw/zinc/18/91/32/1130189132.db2.gz OTQSYMCFEQEABC-LBPRGKRZSA-N 0 1 275.783 3.631 20 0 CHADMN CC(C)C[C@@]1(C)CCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000903690425 1130189326 /nfs/dbraw/zinc/18/93/26/1130189326.db2.gz YDJMBCZBDZTTDY-OAHLLOKOSA-N 0 1 281.421 3.847 20 0 CHADMN Cc1cccc(C)c1CNCc1ccc(-c2cc[nH]n2)o1 ZINC000788524959 1130190275 /nfs/dbraw/zinc/19/02/75/1130190275.db2.gz YMTDQRAQOSQJLG-UHFFFAOYSA-N 0 1 281.359 3.576 20 0 CHADMN CC(C)[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1ccccc1 ZINC000903694131 1130190324 /nfs/dbraw/zinc/19/03/24/1130190324.db2.gz WPPZPTFDAGIVRX-UHFFFAOYSA-N 0 1 275.392 3.542 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903696475 1130190655 /nfs/dbraw/zinc/19/06/55/1130190655.db2.gz XSYZFPVMEJHIEW-GDBMZVCRSA-N 0 1 287.403 3.509 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000903696927 1130190692 /nfs/dbraw/zinc/19/06/92/1130190692.db2.gz CUDUIJXNQOJAQV-YESZJQIVSA-N 0 1 287.403 3.509 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@@H]2CC2CCCC2)CCC1 ZINC000903702397 1130191423 /nfs/dbraw/zinc/19/14/23/1130191423.db2.gz AXKVMMSOXMXXDH-OAHLLOKOSA-N 0 1 279.424 3.676 20 0 CHADMN CCC[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1ccccc1F ZINC000903707356 1130192163 /nfs/dbraw/zinc/19/21/63/1130192163.db2.gz VKFRGXWXCJMESU-UHFFFAOYSA-N 0 1 293.382 3.683 20 0 CHADMN CC[C@H](N[C@@H]1CCc2ccc(Cl)nc21)c1ccncc1 ZINC000788608481 1130195643 /nfs/dbraw/zinc/19/56/43/1130195643.db2.gz GDCDADMUFIYZFW-UONOGXRCSA-N 0 1 287.794 3.858 20 0 CHADMN Cc1nc2ccc(-c3ccc(C(=O)NC(C)C)cc3)cc2[nH]1 ZINC001240023424 1130196366 /nfs/dbraw/zinc/19/63/66/1130196366.db2.gz LPFCGPBFBFIJGN-UHFFFAOYSA-N 0 1 293.370 3.677 20 0 CHADMN Cc1cc(C)nc(CN[C@@H]2c3ccccc3NC2(C)C)c1 ZINC000903783811 1130197217 /nfs/dbraw/zinc/19/72/17/1130197217.db2.gz DOLNOJNADKZJTF-QGZVFWFLSA-N 0 1 281.403 3.733 20 0 CHADMN CSCCCCc1noc(-c2ccc(O)c(Cl)c2)n1 ZINC000903785990 1130198210 /nfs/dbraw/zinc/19/82/10/1130198210.db2.gz SSHZLAUGXZPQDY-UHFFFAOYSA-N 0 1 298.795 3.781 20 0 CHADMN CCCCC[N@H+](Cc1ccc(F)cc1)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903885321 1130207277 /nfs/dbraw/zinc/20/72/77/1130207277.db2.gz LNRPWKXIMHBKHW-GOEBONIOSA-N 0 1 293.382 3.539 20 0 CHADMN CC[C@]1(C)CCC[N@H+]([C@@H](CCc2ccccc2)C(=O)[O-])C1 ZINC000903891862 1130207997 /nfs/dbraw/zinc/20/79/97/1130207997.db2.gz TVUQIGNEYAUVRI-FUHWJXTLSA-N 0 1 289.419 3.585 20 0 CHADMN CC1(C)CCC[N@H+]([C@H](CCc2ccccc2)C(=O)[O-])CC1 ZINC000903894540 1130209220 /nfs/dbraw/zinc/20/92/20/1130209220.db2.gz YYFLZKZUJXYWMG-MRXNPFEDSA-N 0 1 289.419 3.585 20 0 CHADMN CCOC[C@@H](N[C@@H]1COCc2cccc(Cl)c21)C(C)C ZINC000788776212 1130210332 /nfs/dbraw/zinc/21/03/32/1130210332.db2.gz KZOZZYKGCOUDSZ-HUUCEWRRSA-N 0 1 297.826 3.562 20 0 CHADMN CCOC[C@@H](N[C@H]1COCc2cccc(Cl)c21)C(C)C ZINC000788776208 1130210629 /nfs/dbraw/zinc/21/06/29/1130210629.db2.gz KZOZZYKGCOUDSZ-CABCVRRESA-N 0 1 297.826 3.562 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CC2CCCCCC2)[C@H](C)[C@H]1C(=O)[O-] ZINC000903949377 1130212263 /nfs/dbraw/zinc/21/22/63/1130212263.db2.gz AKSJUCHVZFEVOO-CTASWTNQSA-N 0 1 281.440 3.776 20 0 CHADMN Cc1ccc(C)c(C[N@@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)c1 ZINC000903951691 1130212809 /nfs/dbraw/zinc/21/28/09/1130212809.db2.gz UXKLLRMKDBFHQU-KLZNWCGWSA-N 0 1 289.419 3.623 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(Cl)cc2)[C@H](C)[C@H]1C(=O)[O-] ZINC000903952448 1130213448 /nfs/dbraw/zinc/21/34/48/1130213448.db2.gz YJUNJIZEGKVBHZ-ZAZJYDDPSA-N 0 1 295.810 3.660 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)OCCCCOC(C)(C)C ZINC000789099894 1130231243 /nfs/dbraw/zinc/23/12/43/1130231243.db2.gz JWTZYYGCFBDVHV-UHFFFAOYSA-N 0 1 296.411 3.594 20 0 CHADMN CC(C)c1cc(C(=O)N(C)C2CCCCCCC2)n[nH]1 ZINC000748750850 1130244883 /nfs/dbraw/zinc/24/48/83/1130244883.db2.gz XMGFWLDEMYXNJJ-UHFFFAOYSA-N 0 1 277.412 3.718 20 0 CHADMN O[C@@H](CN1CC[C@@H]1c1ccccc1)c1cccc(Cl)c1 ZINC000748820898 1130249188 /nfs/dbraw/zinc/24/91/88/1130249188.db2.gz XJXXBSKJZMUXRH-SJORKVTESA-N 0 1 287.790 3.820 20 0 CHADMN FCCN(Cc1cccc(Br)c1)CC1CC1 ZINC000789450275 1130253065 /nfs/dbraw/zinc/25/30/65/1130253065.db2.gz LTGIRRMCVZMLIQ-UHFFFAOYSA-N 0 1 286.188 3.631 20 0 CHADMN Cn1cc(-c2ccc3nc(-c4ccccc4)[nH]c3c2)cn1 ZINC001240297210 1130257775 /nfs/dbraw/zinc/25/77/75/1130257775.db2.gz PFUPAUZXKYNSAV-UHFFFAOYSA-N 0 1 274.327 3.630 20 0 CHADMN Cc1nn(C)cc1-c1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC001240303235 1130259153 /nfs/dbraw/zinc/25/91/53/1130259153.db2.gz ZAJYMXDDBXBOMN-UHFFFAOYSA-N 0 1 288.354 3.939 20 0 CHADMN COc1cccc([C@H](C)NCc2ccc(Cl)nc2)c1 ZINC000749126602 1130266540 /nfs/dbraw/zinc/26/65/40/1130266540.db2.gz QLLFCPYKTOAPNT-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN FC(F)(F)c1cc(-c2nccc3[nH]ccc32)ccn1 ZINC001240335267 1130267856 /nfs/dbraw/zinc/26/78/56/1130267856.db2.gz WYZPSLIDHLEJCA-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2cn[nH]c2C1 ZINC000676794768 1130271546 /nfs/dbraw/zinc/27/15/46/1130271546.db2.gz WKRAVFYSMQGEOT-VIFPVBQESA-N 0 1 296.201 3.836 20 0 CHADMN COc1ccc(Cl)c(C[N@H+]2CCC[C@H]2C(C)(C)OC)c1 ZINC001137265097 1130271890 /nfs/dbraw/zinc/27/18/90/1130271890.db2.gz MVIZLDOUVBAWKN-HNNXBMFYSA-N 0 1 297.826 3.738 20 0 CHADMN COc1ccc(Cl)c(C[N@H+]2CCC[C@H](C(F)F)C2)c1 ZINC001137265048 1130272219 /nfs/dbraw/zinc/27/22/19/1130272219.db2.gz JVNOCWPQFLCDRU-JTQLQIEISA-N 0 1 289.753 3.826 20 0 CHADMN COc1ccc(Cl)c(CN2CCC[C@H](C(F)F)C2)c1 ZINC001137265048 1130272223 /nfs/dbraw/zinc/27/22/23/1130272223.db2.gz JVNOCWPQFLCDRU-JTQLQIEISA-N 0 1 289.753 3.826 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(F)c3ccccc32)nn1C ZINC000676842373 1130273181 /nfs/dbraw/zinc/27/31/81/1130273181.db2.gz YEOUDUVQBGYPHI-CYBMUJFWSA-N 0 1 297.377 3.872 20 0 CHADMN C[C@@H](c1cc(Cl)ccc1Cl)N1CCc2cn[nH]c2C1 ZINC000676893129 1130274926 /nfs/dbraw/zinc/27/49/26/1130274926.db2.gz APJLVOUZMRCKPS-VIFPVBQESA-N 0 1 296.201 3.836 20 0 CHADMN CC(C)n1cnc2cc(-c3ccc4cncn4c3)ccc21 ZINC001240369770 1130281797 /nfs/dbraw/zinc/28/17/97/1130281797.db2.gz RHUSBBIVKPIVED-UHFFFAOYSA-N 0 1 276.343 3.932 20 0 CHADMN CCCCc1noc([C@H](C)N2CCC[C@H](C3CC3)C2)n1 ZINC000677047238 1130284335 /nfs/dbraw/zinc/28/43/35/1130284335.db2.gz SJYMCWBHUZEWLN-JSGCOSHPSA-N 0 1 277.412 3.595 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(C(F)(F)F)cc2F)nc1 ZINC001240395466 1130290626 /nfs/dbraw/zinc/29/06/26/1130290626.db2.gz DTVQFNOXBGDNEM-UHFFFAOYSA-N 0 1 298.283 3.968 20 0 CHADMN CN(C)Cc1ccc(-c2cccc(C(C)(C)O)c2)cc1F ZINC001240410423 1130296025 /nfs/dbraw/zinc/29/60/25/1130296025.db2.gz PVHJHJJVZTZESU-UHFFFAOYSA-N 0 1 287.378 3.782 20 0 CHADMN COc1ccc(F)c(F)c1-c1ccc2nc[nH]c2c1C ZINC001240433392 1130310361 /nfs/dbraw/zinc/31/03/61/1130310361.db2.gz LLSWLGXCJKEHRZ-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN c1ccc2c(c1)n[nH]c2CNc1cncc2ccccc21 ZINC000677520509 1130315382 /nfs/dbraw/zinc/31/53/82/1130315382.db2.gz DHWKEZIWTFZDHH-UHFFFAOYSA-N 0 1 274.327 3.723 20 0 CHADMN Cc1nn(C)c2ccc(-c3cc4[nH]cnc4cc3C)cc12 ZINC001240457454 1130318362 /nfs/dbraw/zinc/31/83/62/1130318362.db2.gz WLQDHXJIPJLVQR-UHFFFAOYSA-N 0 1 276.343 3.733 20 0 CHADMN Cc1ccc(OC(=O)c2ccc3cncn3c2)c(Cl)c1 ZINC000790555288 1130319273 /nfs/dbraw/zinc/31/92/73/1130319273.db2.gz VYPJHBLYKUVDNC-UHFFFAOYSA-N 0 1 286.718 3.515 20 0 CHADMN FC(F)[C@H]1CCN(Cc2ccccc2Br)C1 ZINC000677731458 1130324922 /nfs/dbraw/zinc/32/49/22/1130324922.db2.gz RRHIGNNJKXOTBE-JTQLQIEISA-N 0 1 290.151 3.536 20 0 CHADMN Cc1cc(NCc2[nH]nc3ccccc32)ccc1F ZINC000677661823 1130321096 /nfs/dbraw/zinc/32/10/96/1130321096.db2.gz JHGVMAABVUHSAP-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN Fc1ccc(Br)c(CN2CCC3(CC3)CC2)c1 ZINC000677718729 1130321679 /nfs/dbraw/zinc/32/16/79/1130321679.db2.gz IJPOKGCDUAABLO-UHFFFAOYSA-N 0 1 298.199 3.964 20 0 CHADMN CC[C@H](C)CC(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000790629647 1130322006 /nfs/dbraw/zinc/32/20/06/1130322006.db2.gz BUQHHHGZFMCXRL-VHSXEESVSA-N 0 1 293.798 3.830 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CC[C@H](C(F)F)C1 ZINC000677735347 1130327230 /nfs/dbraw/zinc/32/72/30/1130327230.db2.gz ZANZFANMOQECPG-BDAKNGLRSA-N 0 1 261.262 3.613 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2CSc3ccccc32)s1 ZINC000677756386 1130329810 /nfs/dbraw/zinc/32/98/10/1130329810.db2.gz WRFASDBSOYWWNC-JOYOIKCWSA-N 0 1 276.430 3.949 20 0 CHADMN CC(C)[C@H](N)c1cc(-c2ccccc2Br)no1 ZINC000382679799 1130331499 /nfs/dbraw/zinc/33/14/99/1130331499.db2.gz KTLHWJGAQSJSTB-ZDUSSCGKSA-N 0 1 295.180 3.760 20 0 CHADMN F[C@H]1CCN(Cc2cc3ccccc3[nH]2)CCC1(F)F ZINC001137313690 1130333730 /nfs/dbraw/zinc/33/37/30/1130333730.db2.gz MPDWZRQRIWPXHZ-AWEZNQCLSA-N 0 1 282.309 3.737 20 0 CHADMN C[C@@H](c1cc(Cl)ccc1Cl)N(C)C[C@@H](O)C1CC1 ZINC000677893789 1130338176 /nfs/dbraw/zinc/33/81/76/1130338176.db2.gz SYEDTELOBZILET-LKFCYVNXSA-N 0 1 288.218 3.757 20 0 CHADMN C[C@H](CO)CN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000678043817 1130344780 /nfs/dbraw/zinc/34/47/80/1130344780.db2.gz FTBOVOWYHYPYAK-HZMBPMFUSA-N 0 1 288.218 3.759 20 0 CHADMN Cc1cccc(C)c1CNCc1nccn1-c1ccccc1 ZINC000790977686 1130345462 /nfs/dbraw/zinc/34/54/62/1130345462.db2.gz OJAQIOKYFIHPQH-UHFFFAOYSA-N 0 1 291.398 3.779 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C=Cc1ccccc1F ZINC000791054604 1130348849 /nfs/dbraw/zinc/34/88/49/1130348849.db2.gz DSABFVHLEQRYCT-VOTSOKGWSA-N 0 1 295.317 3.662 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C=Cc1ccccc1 ZINC000791051254 1130349140 /nfs/dbraw/zinc/34/91/40/1130349140.db2.gz GJZUQQJKTDYXCA-BQYQJAHWSA-N 0 1 277.327 3.523 20 0 CHADMN CC(C)N(Cc1cn2cccc(F)c2n1)Cc1ccccc1 ZINC000678117602 1130349677 /nfs/dbraw/zinc/34/96/77/1130349677.db2.gz DBVAPWAAPMBJID-UHFFFAOYSA-N 0 1 297.377 3.884 20 0 CHADMN COc1ccccc1C(C)(C)CN[C@H](C)c1cscn1 ZINC000678114836 1130350373 /nfs/dbraw/zinc/35/03/73/1130350373.db2.gz OEYBEENZMUZZOK-GFCCVEGCSA-N 0 1 290.432 3.780 20 0 CHADMN c1n[nH]cc1CN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000678133502 1130353516 /nfs/dbraw/zinc/35/35/16/1130353516.db2.gz CKTWGNREJVLABM-LJQANCHMSA-N 0 1 289.382 3.557 20 0 CHADMN CN(Cc1cncs1)[C@@H]1CCCc2ccccc21 ZINC000678125251 1130354039 /nfs/dbraw/zinc/35/40/39/1130354039.db2.gz RULBHQWPAVBCDP-OAHLLOKOSA-N 0 1 258.390 3.653 20 0 CHADMN Cc1nn2c(CN(C)CCC(C)C)c(C(C)C)nc2s1 ZINC000678137756 1130356456 /nfs/dbraw/zinc/35/64/56/1130356456.db2.gz UPGLPNHQLOXKNB-UHFFFAOYSA-N 0 1 294.468 3.701 20 0 CHADMN CC(C)c1ccc([C@H](C)N(C)Cc2cn[nH]c2)cc1 ZINC000678141168 1130360128 /nfs/dbraw/zinc/36/01/28/1130360128.db2.gz RBDQAKSUCJOLLU-ZDUSSCGKSA-N 0 1 257.381 3.726 20 0 CHADMN Fc1ccc(CN2CCC(c3cccnc3)CC2)c(F)c1 ZINC000678167546 1130363594 /nfs/dbraw/zinc/36/35/94/1130363594.db2.gz LNEDWTFQWONRBT-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN c1ccc2c(c1)CN(Cc1ccnc3ccccc13)CCO2 ZINC000678195636 1130368169 /nfs/dbraw/zinc/36/81/69/1130368169.db2.gz BVWHEXOKKIRXLW-UHFFFAOYSA-N 0 1 290.366 3.629 20 0 CHADMN C[C@@H]1c2ccccc2OCCN1Cc1ccsc1 ZINC000678196801 1130368763 /nfs/dbraw/zinc/36/87/63/1130368763.db2.gz HVYAPPWGRSXEAS-GFCCVEGCSA-N 0 1 259.374 3.704 20 0 CHADMN C[C@H](c1ccco1)N(Cc1[nH]nc2ccccc21)C1CC1 ZINC000678213417 1130371562 /nfs/dbraw/zinc/37/15/62/1130371562.db2.gz UPVBEPANCJENKW-GFCCVEGCSA-N 0 1 281.359 3.882 20 0 CHADMN CCN(CCC(F)(F)F)Cc1ccc(OC)c(C)c1 ZINC000678222724 1130373942 /nfs/dbraw/zinc/37/39/42/1130373942.db2.gz TZIMEWXOEYPGGM-UHFFFAOYSA-N 0 1 275.314 3.778 20 0 CHADMN Oc1ccc(-c2ccc(-c3ccc4[nH]nnc4c3)cc2)cc1 ZINC001240609209 1130385345 /nfs/dbraw/zinc/38/53/45/1130385345.db2.gz ZQEARYUGWBTNBK-UHFFFAOYSA-N 0 1 287.322 3.998 20 0 CHADMN Oc1ccc(-c2ccc(-c3ccc4nn[nH]c4c3)cc2)cc1 ZINC001240609209 1130385349 /nfs/dbraw/zinc/38/53/49/1130385349.db2.gz ZQEARYUGWBTNBK-UHFFFAOYSA-N 0 1 287.322 3.998 20 0 CHADMN CC[C@@H](C[N@H+]1CCO[C@@H](c2ccco2)C1)c1ccccc1 ZINC000678294502 1130393022 /nfs/dbraw/zinc/39/30/22/1130393022.db2.gz JYBBGWRWBOXWID-MAUKXSAKSA-N 0 1 285.387 3.847 20 0 CHADMN CC[C@@H](CN1CCO[C@@H](c2ccco2)C1)c1ccccc1 ZINC000678294502 1130393026 /nfs/dbraw/zinc/39/30/26/1130393026.db2.gz JYBBGWRWBOXWID-MAUKXSAKSA-N 0 1 285.387 3.847 20 0 CHADMN CC[N@@H+](Cc1c[nH]c2ccc(F)cc12)Cc1ccncc1 ZINC001137333442 1130400781 /nfs/dbraw/zinc/40/07/81/1130400781.db2.gz HKKSHVDHTAGLRB-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN CC[C@@H](C(=O)OCc1cccc(C(F)F)c1)N(CC)CC ZINC000791760984 1130401077 /nfs/dbraw/zinc/40/10/77/1130401077.db2.gz USFFOWPCNLTTOU-AWEZNQCLSA-N 0 1 299.361 3.788 20 0 CHADMN Cn1nc(CN2CC=C(C(C)(C)C)CC2)c2ccccc21 ZINC000678341954 1130401912 /nfs/dbraw/zinc/40/19/12/1130401912.db2.gz JEVCLQZSFWOKJT-UHFFFAOYSA-N 0 1 283.419 3.752 20 0 CHADMN C[C@H]1CCN(Cc2cscc2Cl)C[C@H]1n1ccnc1 ZINC000678336929 1130402260 /nfs/dbraw/zinc/40/22/60/1130402260.db2.gz NRNHERIGRXILMT-SMDDNHRTSA-N 0 1 295.839 3.681 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1c[nH]c(-c2ccccc2)n1 ZINC000678363025 1130409470 /nfs/dbraw/zinc/40/94/70/1130409470.db2.gz XBLUGZGKSBKVDY-CQSZACIVSA-N 0 1 292.386 3.631 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1cnc(-c2ccccc2)[nH]1 ZINC000678363025 1130409478 /nfs/dbraw/zinc/40/94/78/1130409478.db2.gz XBLUGZGKSBKVDY-CQSZACIVSA-N 0 1 292.386 3.631 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1cnc(C2CCC2)s1 ZINC000678362837 1130409656 /nfs/dbraw/zinc/40/96/56/1130409656.db2.gz QNDYVFMIUWUTBT-LBPRGKRZSA-N 0 1 287.432 3.965 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2cccnc2)c(C)n1 ZINC000678412669 1130412185 /nfs/dbraw/zinc/41/21/85/1130412185.db2.gz YZBVOCUMGRGKKU-GXTWGEPZSA-N 0 1 255.365 3.505 20 0 CHADMN c1nn([C@H]2CCCCO2)cc1-c1ccc(C2=NCCC2)cc1 ZINC001240677227 1130413580 /nfs/dbraw/zinc/41/35/80/1130413580.db2.gz YYPIAOMVQVABMK-GOSISDBHSA-N 0 1 295.386 3.832 20 0 CHADMN CCc1noc(CC)c1CN[C@H](C)c1ccc(C)nc1C ZINC000678427478 1130416496 /nfs/dbraw/zinc/41/64/96/1130416496.db2.gz KMRJAIMWRAQLGH-GFCCVEGCSA-N 0 1 287.407 3.662 20 0 CHADMN [O-]c1ccc(F)cc1-c1ccc(C[NH+]2CCCCC2)cn1 ZINC001240697665 1130423288 /nfs/dbraw/zinc/42/32/88/1130423288.db2.gz NZCYVKOKRUIHOK-UHFFFAOYSA-N 0 1 286.350 3.579 20 0 CHADMN Fc1cccc(CN2CCC3(CC3)CC2)c1Cl ZINC000678530562 1130424482 /nfs/dbraw/zinc/42/44/82/1130424482.db2.gz REDMBELIRUWZNU-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN Cc1ccc(-c2nc[nH]c3nc(=S)sc2-3)cc1C ZINC001240700405 1130425324 /nfs/dbraw/zinc/42/53/24/1130425324.db2.gz RDFZBADXUVYLHN-UHFFFAOYSA-N 0 1 273.386 3.984 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H](C)c1cnccc1C ZINC000678543765 1130426447 /nfs/dbraw/zinc/42/64/47/1130426447.db2.gz JCANWJIPRSENFJ-OKILXGFUSA-N 0 1 255.365 3.505 20 0 CHADMN CSc1cc(CN[C@H](C)c2ccc(C)nc2C)ccn1 ZINC000678548269 1130427353 /nfs/dbraw/zinc/42/73/53/1130427353.db2.gz LXKZIGGABRBDSB-GFCCVEGCSA-N 0 1 287.432 3.666 20 0 CHADMN COc1ccc(C)cc1CN[C@@H](C)c1ccc2c(c1)COC2 ZINC000678581631 1130431284 /nfs/dbraw/zinc/43/12/84/1130431284.db2.gz VVABMYGJTYHQLR-AWEZNQCLSA-N 0 1 297.398 3.885 20 0 CHADMN CCN(C)c1ccc(CN2Cc3ccccc3[C@@H](C)C2)cn1 ZINC000792156667 1130432888 /nfs/dbraw/zinc/43/28/88/1130432888.db2.gz KNDXLWDUWFYTHG-HNNXBMFYSA-N 0 1 295.430 3.657 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H]1C)c1nc(C2CCCCC2)no1 ZINC000792178329 1130435844 /nfs/dbraw/zinc/43/58/44/1130435844.db2.gz DXYBBLAOSFNZFM-GVXVVHGQSA-N 0 1 263.385 3.566 20 0 CHADMN C[C@@H](NCc1c(F)c(F)cc(F)c1F)C(C)(C)C ZINC000678594736 1130435837 /nfs/dbraw/zinc/43/58/37/1130435837.db2.gz HAKIYPKOJJZSBU-SSDOTTSWSA-N 0 1 263.278 3.767 20 0 CHADMN Cc1cc(-c2noc([C@H](C)N[C@@H]3CC[C@@H]3C)n2)ccc1F ZINC000792180085 1130436025 /nfs/dbraw/zinc/43/60/25/1130436025.db2.gz LFENCGVNOVAHEZ-NURSFMCSSA-N 0 1 289.354 3.633 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc(C)c(C)cc2C)ncn1 ZINC000678605578 1130439321 /nfs/dbraw/zinc/43/93/21/1130439321.db2.gz QGCORPQCXKEHAI-HNNXBMFYSA-N 0 1 269.392 3.561 20 0 CHADMN Fc1cccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1F ZINC000678638688 1130442980 /nfs/dbraw/zinc/44/29/80/1130442980.db2.gz MJIBZEDMSDBIKY-UONOGXRCSA-N 0 1 295.373 3.603 20 0 CHADMN Fc1cccc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c1F ZINC000678638688 1130442984 /nfs/dbraw/zinc/44/29/84/1130442984.db2.gz MJIBZEDMSDBIKY-UONOGXRCSA-N 0 1 295.373 3.603 20 0 CHADMN CCN(Cc1n[nH]c2ccccc21)Cc1ccc(F)cc1 ZINC001137349672 1130450308 /nfs/dbraw/zinc/45/03/08/1130450308.db2.gz DUUWVWAVDWCJHD-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN CCN(Cc1[nH]nc2ccccc21)Cc1ccc(F)cc1 ZINC001137349672 1130450316 /nfs/dbraw/zinc/45/03/16/1130450316.db2.gz DUUWVWAVDWCJHD-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN CC(C)(C)C1CCN(Cc2nc3c(s2)CCC3)CC1 ZINC000678821479 1130461016 /nfs/dbraw/zinc/46/10/16/1130461016.db2.gz STEOSZCWUFTAPU-UHFFFAOYSA-N 0 1 278.465 3.890 20 0 CHADMN C[C@@H](N[C@@H](C)Cc1ccccc1Cl)c1ncc(F)cn1 ZINC001170256527 1130468170 /nfs/dbraw/zinc/46/81/70/1130468170.db2.gz LEWNJFPNABEWEE-WDEREUQCSA-N 0 1 293.773 3.551 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cncc(C(F)(F)F)c1 ZINC001240791881 1130475048 /nfs/dbraw/zinc/47/50/48/1130475048.db2.gz LMPBYPSVOUYSNS-UHFFFAOYSA-N 0 1 293.248 3.652 20 0 CHADMN CCc1c(NCc2[nH]nc3ccccc32)cnn1CC(C)C ZINC000678940747 1130476577 /nfs/dbraw/zinc/47/65/77/1130476577.db2.gz QNJYFICTZOKDPV-UHFFFAOYSA-N 0 1 297.406 3.590 20 0 CHADMN c1coc([C@@H]2CC[N@H+](Cc3nc4c(s3)CCCC4)C2)c1 ZINC000678987627 1130479496 /nfs/dbraw/zinc/47/94/96/1130479496.db2.gz GVLFZOQFAKSWEU-GFCCVEGCSA-N 0 1 288.416 3.604 20 0 CHADMN c1coc([C@@H]2CCN(Cc3nc4c(s3)CCCC4)C2)c1 ZINC000678987627 1130479500 /nfs/dbraw/zinc/47/95/00/1130479500.db2.gz GVLFZOQFAKSWEU-GFCCVEGCSA-N 0 1 288.416 3.604 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)N1CC2(C1)C[C@@H](F)CS2 ZINC001170286683 1130479756 /nfs/dbraw/zinc/47/97/56/1130479756.db2.gz FDXVDDUDQXZGQZ-WCQYABFASA-N 0 1 299.842 3.800 20 0 CHADMN C(c1nc2c(s1)CCCC2)N1C2CCCC1CCC2 ZINC000678993484 1130479997 /nfs/dbraw/zinc/47/99/97/1130479997.db2.gz WODFNFFTNHVCPQ-UHFFFAOYSA-N 0 1 276.449 3.929 20 0 CHADMN CCC(O)(CC)CN(C)[C@H](C)c1c(F)cccc1F ZINC000679021011 1130484595 /nfs/dbraw/zinc/48/45/95/1130484595.db2.gz GLDGYYIPIJYNCU-LLVKDONJSA-N 0 1 271.351 3.509 20 0 CHADMN C[C@H](NC1CC(c2cccc(F)c2)C1)c1cscn1 ZINC000679034798 1130486485 /nfs/dbraw/zinc/48/64/85/1130486485.db2.gz PENNPMBWRMPVJO-JKDOVBDQSA-N 0 1 276.380 3.879 20 0 CHADMN C[C@H](N[C@H](CC1CC1)c1ccccc1)c1nccn1C ZINC000679046599 1130487607 /nfs/dbraw/zinc/48/76/07/1130487607.db2.gz PDSKJGNOUGFTOA-XJKSGUPXSA-N 0 1 269.392 3.612 20 0 CHADMN C[C@@H](NCc1cocn1)[C@@H](C)c1nc2ccccc2s1 ZINC000679050031 1130487867 /nfs/dbraw/zinc/48/78/67/1130487867.db2.gz VQAXKCPCFFHVCU-GHMZBOCLSA-N 0 1 287.388 3.566 20 0 CHADMN C=Cc1cc(F)ccc1-c1ccc(N2CCN(C)CC2)cc1 ZINC001240855282 1130492866 /nfs/dbraw/zinc/49/28/66/1130492866.db2.gz UHRYKKOFPSTZFI-UHFFFAOYSA-N 0 1 296.389 3.888 20 0 CHADMN C[C@@H]1CSCCN(Cn2c3ccccc3oc2=S)C1 ZINC000792724439 1130493595 /nfs/dbraw/zinc/49/35/95/1130493595.db2.gz ZDYJKZLRNTXQBY-NSHDSACASA-N 0 1 294.445 3.606 20 0 CHADMN C[C@H](Nc1cnn(-c2ccncc2)c1)c1cccc(F)c1 ZINC000679125831 1130495022 /nfs/dbraw/zinc/49/50/22/1130495022.db2.gz BHQQGAYMNKZGSC-LBPRGKRZSA-N 0 1 282.322 3.580 20 0 CHADMN Cc1ccsc1[C@@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000679125747 1130495500 /nfs/dbraw/zinc/49/55/00/1130495500.db2.gz AFYBOZPXZXNZTN-GFCCVEGCSA-N 0 1 284.388 3.810 20 0 CHADMN C[C@H]1CCC[C@H](C)C1Nc1cnn(-c2ccncc2)c1 ZINC000679128074 1130495556 /nfs/dbraw/zinc/49/55/56/1130495556.db2.gz RPMJVGRUQGCMNR-STQMWFEESA-N 0 1 270.380 3.504 20 0 CHADMN Cc1ccc2c(c1)[C@@H](Nc1cnn(-c3ccncc3)c1)CC2 ZINC000679128418 1130495810 /nfs/dbraw/zinc/49/58/10/1130495810.db2.gz VHSUJZQCHMCQST-SFHVURJKSA-N 0 1 290.370 3.675 20 0 CHADMN CC[C@@H](Nc1ccccc1CN1CCSCC1)C1CC1 ZINC000679143096 1130497255 /nfs/dbraw/zinc/49/72/55/1130497255.db2.gz QAAVKSSDOPAGGK-MRXNPFEDSA-N 0 1 290.476 3.836 20 0 CHADMN COc1ccc(-c2cc(F)c3c(c2)CN(C)CC3)cc1C ZINC001240867112 1130497876 /nfs/dbraw/zinc/49/78/76/1130497876.db2.gz NXKSOLSDKPKDCK-UHFFFAOYSA-N 0 1 285.362 3.798 20 0 CHADMN CCN(CC)CC(=O)Nc1ccc(-c2ccccc2)c(C)c1 ZINC000792835275 1130500524 /nfs/dbraw/zinc/50/05/24/1130500524.db2.gz HAOCZMSZPFXKEQ-UHFFFAOYSA-N 0 1 296.414 3.942 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1ccc(OC2CCCC2)cc1 ZINC000679350884 1130518681 /nfs/dbraw/zinc/51/86/81/1130518681.db2.gz DWWUFDVDKKZYDF-CYBMUJFWSA-N 0 1 299.418 3.890 20 0 CHADMN Cc1cccc(-c2n[nH]cc2CN2CC[C@H](C)[C@H](F)C2)c1 ZINC000679357908 1130520584 /nfs/dbraw/zinc/52/05/84/1130520584.db2.gz GILHCMWHYSPMRI-XJKSGUPXSA-N 0 1 287.382 3.565 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NC1(c2ccc(F)cc2)CCC1 ZINC000679361464 1130522474 /nfs/dbraw/zinc/52/24/74/1130522474.db2.gz NQBSKDOTMQELEM-LLVKDONJSA-N 0 1 273.355 3.587 20 0 CHADMN CC(C)(C)c1ccc(CN2CCCC(F)(F)CC2)[nH]1 ZINC001137372089 1130523462 /nfs/dbraw/zinc/52/34/62/1130523462.db2.gz IOARBMPUYAMLPW-UHFFFAOYSA-N 0 1 270.367 3.933 20 0 CHADMN CC(C)[C@H](C)N[C@H](CCc1ccccc1)C(F)F ZINC000679373856 1130523484 /nfs/dbraw/zinc/52/34/84/1130523484.db2.gz UETATNVPHKCEHD-GXTWGEPZSA-N 0 1 255.352 3.887 20 0 CHADMN Oc1ccc(CN[C@H]2CCCOc3c(F)cccc32)cc1 ZINC000679400263 1130527454 /nfs/dbraw/zinc/52/74/54/1130527454.db2.gz GGKMWCFJALOTOK-INIZCTEOSA-N 0 1 287.334 3.535 20 0 CHADMN Cc1cc(Br)cc(CN2[C@@H](C)C[C@@H]2C)c1 ZINC000793228037 1130532076 /nfs/dbraw/zinc/53/20/76/1130532076.db2.gz IJYYZMNJRHXKJF-QWRGUYRKSA-N 0 1 268.198 3.740 20 0 CHADMN COc1cc(F)c(-c2ccc3[nH]cnc3c2)cc1F ZINC001240956041 1130534639 /nfs/dbraw/zinc/53/46/39/1130534639.db2.gz JKZAEWQTKIDKJH-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN Cc1c[nH]c2ncc(-c3cc4nc[nH]c4c(C)c3)cc12 ZINC001240956458 1130535021 /nfs/dbraw/zinc/53/50/21/1130535021.db2.gz AUQLFAUGHOFRAA-UHFFFAOYSA-N 0 1 262.316 3.723 20 0 CHADMN Cc1nc(CCN2C[C@@H](C(F)(F)F)CC[C@@H]2C)cs1 ZINC000679540701 1130536349 /nfs/dbraw/zinc/53/63/49/1130536349.db2.gz ODWYPZQWDUFYHH-ONGXEEELSA-N 0 1 292.370 3.657 20 0 CHADMN Cc1ccc(CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)nc1 ZINC000679545123 1130540159 /nfs/dbraw/zinc/54/01/59/1130540159.db2.gz JHSUEKHSKOQAKS-RYUDHWBXSA-N 0 1 272.314 3.553 20 0 CHADMN c1ccc2c(c1)n[nH]c2CN1CC2(CC2)c2ccccc21 ZINC000679584252 1130544250 /nfs/dbraw/zinc/54/42/50/1130544250.db2.gz XDVDRDDHNCJIDN-UHFFFAOYSA-N 0 1 275.355 3.615 20 0 CHADMN Cc1ncsc1CN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679584612 1130544546 /nfs/dbraw/zinc/54/45/46/1130544546.db2.gz VMSCOTFCYNNOAF-WPRPVWTQSA-N 0 1 278.343 3.614 20 0 CHADMN Cc1ccoc1CN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679583224 1130544619 /nfs/dbraw/zinc/54/46/19/1130544619.db2.gz CKZHGUXAFJDWCP-WDEREUQCSA-N 0 1 261.287 3.751 20 0 CHADMN Fc1ccc([C@H](CC(F)(F)F)NC2CSC2)cc1 ZINC000679626022 1130547143 /nfs/dbraw/zinc/54/71/43/1130547143.db2.gz LVRLZWXRXFKKBL-NSHDSACASA-N 0 1 279.302 3.524 20 0 CHADMN CC[C@@H](C)[C@H](C)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000679636818 1130548394 /nfs/dbraw/zinc/54/83/94/1130548394.db2.gz XDYGGBSHZHERQL-ZJUUUORDSA-N 0 1 293.798 3.515 20 0 CHADMN CC[C@H](C)[C@H](C)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000679636816 1130548997 /nfs/dbraw/zinc/54/89/97/1130548997.db2.gz XDYGGBSHZHERQL-UWVGGRQHSA-N 0 1 293.798 3.515 20 0 CHADMN CN(Cc1c(Cl)nc2ccccn21)[C@@H]1CCC(C)(C)C1 ZINC000793352060 1130549444 /nfs/dbraw/zinc/54/94/44/1130549444.db2.gz MWEPHKOBMSMIBC-GFCCVEGCSA-N 0 1 291.826 3.998 20 0 CHADMN CSc1ccc(CN2CCC[C@H](OC(F)F)C2)cc1 ZINC000679682742 1130550861 /nfs/dbraw/zinc/55/08/61/1130550861.db2.gz YWSMRJDLSQAGQY-LBPRGKRZSA-N 0 1 287.375 3.612 20 0 CHADMN Cc1ccc(OCCNCc2nc3ccccc3o2)c(C)c1 ZINC000679689413 1130551757 /nfs/dbraw/zinc/55/17/57/1130551757.db2.gz MVRWIJZLOWULBR-UHFFFAOYSA-N 0 1 296.370 3.613 20 0 CHADMN Cn1ccc(CNCc2c(Cl)ccc3cccnc32)c1 ZINC000679720693 1130553516 /nfs/dbraw/zinc/55/35/16/1130553516.db2.gz XGUBUCAHEUKSAJ-UHFFFAOYSA-N 0 1 285.778 3.517 20 0 CHADMN CCc1ccc(CN2CCC[C@@H](OC(F)F)C2)s1 ZINC000679740852 1130554577 /nfs/dbraw/zinc/55/45/77/1130554577.db2.gz RVUBPOHFCKZWKR-SNVBAGLBSA-N 0 1 275.364 3.514 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1cccc(-c2ccncc2)c1 ZINC001137388852 1130557453 /nfs/dbraw/zinc/55/74/53/1130557453.db2.gz VBMBTMSSVMFNMP-DYVFJYSZSA-N 0 1 270.351 3.681 20 0 CHADMN C[C@@H]1CCCN1Cc1nnc(-c2cccc3ccccc32)o1 ZINC000679922946 1130561898 /nfs/dbraw/zinc/56/18/98/1130561898.db2.gz OOBGKUFKTPGDFD-CYBMUJFWSA-N 0 1 293.370 3.874 20 0 CHADMN C[C@H]1CCCN1Cc1nnc(-c2cccc3ccccc32)o1 ZINC000679922947 1130561975 /nfs/dbraw/zinc/56/19/75/1130561975.db2.gz OOBGKUFKTPGDFD-ZDUSSCGKSA-N 0 1 293.370 3.874 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCSc3ccccc32)n(C)n1 ZINC000793522200 1130562615 /nfs/dbraw/zinc/56/26/15/1130562615.db2.gz DWXOHCLZLUAUBG-TZMCWYRMSA-N 0 1 287.432 3.616 20 0 CHADMN CO[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000680004171 1130570886 /nfs/dbraw/zinc/57/08/86/1130570886.db2.gz ZTEZTUCKEHCLNV-AWEZNQCLSA-N 0 1 288.218 3.994 20 0 CHADMN CN(Cc1cccc(F)c1)Cc1c[nH]c(=O)c2ccccc12 ZINC001233965473 1130590989 /nfs/dbraw/zinc/59/09/89/1130590989.db2.gz XDCMTXPBOCHEBJ-UHFFFAOYSA-N 0 1 296.345 3.712 20 0 CHADMN CC=C(CC)C(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000811422688 1130609561 /nfs/dbraw/zinc/60/95/61/1130609561.db2.gz RWTBXBIKZUXLAN-XCVCLJGOSA-N 0 1 296.330 3.513 20 0 CHADMN CN(C)c1ccnc(Cl)c1CN(C)CC1CCCCC1 ZINC001234141626 1130610737 /nfs/dbraw/zinc/61/07/37/1130610737.db2.gz DMISKJNUMADKPU-UHFFFAOYSA-N 0 1 295.858 3.813 20 0 CHADMN CN(C)c1ccnc(Cl)c1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001234143590 1130610891 /nfs/dbraw/zinc/61/08/91/1130610891.db2.gz TZVVVYZUGIQSFV-JSGCOSHPSA-N 0 1 293.842 3.566 20 0 CHADMN Cc1cn[nH]c1CN1CCc2cc(C(C)(C)C)ccc21 ZINC000811488444 1130612669 /nfs/dbraw/zinc/61/26/69/1130612669.db2.gz XMUZTQYLSVLGRZ-UHFFFAOYSA-N 0 1 269.392 3.578 20 0 CHADMN CSc1ccc(-c2nc3nc[nH]c3c(C)n2)cc1Cl ZINC001244736455 1130618963 /nfs/dbraw/zinc/61/89/63/1130618963.db2.gz NRVPSENNFRJKPM-UHFFFAOYSA-N 0 1 290.779 3.655 20 0 CHADMN CC(C)c1ccc(NC(=O)CN2CCC3(CCC3)C2)cc1 ZINC000758736805 1130623234 /nfs/dbraw/zinc/62/32/34/1130623234.db2.gz KADHJZMJZJIMAP-UHFFFAOYSA-N 0 1 286.419 3.625 20 0 CHADMN CSc1c(Cl)cccc1O[C@@H]1CN2CCC1CC2 ZINC001234247561 1130623817 /nfs/dbraw/zinc/62/38/17/1130623817.db2.gz QIGXSFODUKBIBO-CYBMUJFWSA-N 0 1 283.824 3.535 20 0 CHADMN C[C@@H](CN1CCC(C(=O)c2ccccc2)CC1)C(F)(F)F ZINC000441150820 1130635340 /nfs/dbraw/zinc/63/53/40/1130635340.db2.gz DYANIGIJTPBLGM-LBPRGKRZSA-N 0 1 299.336 3.780 20 0 CHADMN Cc1cc(C(F)(F)F)nn1C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000811770941 1130642137 /nfs/dbraw/zinc/64/21/37/1130642137.db2.gz IBIHYKDNITUEHZ-NSHDSACASA-N 0 1 289.345 3.678 20 0 CHADMN Cc1cc(C(F)(F)F)nn1CN(C)[C@@H](C)C(C)(C)C ZINC000811731951 1130642454 /nfs/dbraw/zinc/64/24/54/1130642454.db2.gz LISQXKPNQGVYPV-JTQLQIEISA-N 0 1 277.334 3.534 20 0 CHADMN CC[C@H](NCc1cccc(F)n1)c1ccc(F)cc1 ZINC000747745188 1130646250 /nfs/dbraw/zinc/64/62/50/1130646250.db2.gz XOTNECNJYYRAJO-AWEZNQCLSA-N 0 1 262.303 3.601 20 0 CHADMN FC(F)(F)c1cnc(NCc2[nH]nc3ccccc32)s1 ZINC000811838060 1130649199 /nfs/dbraw/zinc/64/91/99/1130649199.db2.gz RBMHNHIYGHYISA-UHFFFAOYSA-N 0 1 298.293 3.650 20 0 CHADMN Fc1cccc(CN[C@@H]2CCCCc3ccccc32)n1 ZINC000747744699 1130650033 /nfs/dbraw/zinc/65/00/33/1130650033.db2.gz QRMIIPMFKYEDAJ-MRXNPFEDSA-N 0 1 270.351 3.778 20 0 CHADMN COCCN(CCF)[C@H](C)c1c(C)cc(C)cc1C ZINC000759331160 1130651589 /nfs/dbraw/zinc/65/15/89/1130651589.db2.gz WQNRCMOWBFFMIS-OAHLLOKOSA-N 0 1 267.388 3.591 20 0 CHADMN FCCN1CCC(c2cccc3ccccc32)CC1 ZINC000759330858 1130651885 /nfs/dbraw/zinc/65/18/85/1130651885.db2.gz CEQFBELWXQDZDY-UHFFFAOYSA-N 0 1 257.352 3.989 20 0 CHADMN CC(C)CC[C@@H](C)N1CCN(C(=O)C2CCCCC2)CC1 ZINC001256373128 1130661683 /nfs/dbraw/zinc/66/16/83/1130661683.db2.gz PKTBULIUNYCXAQ-MRXNPFEDSA-N 0 1 294.483 3.536 20 0 CHADMN CCc1nc(C)c(CN(CC)Cc2ccc(C)cc2)[nH]1 ZINC001203249108 1130667852 /nfs/dbraw/zinc/66/78/52/1130667852.db2.gz ZULCEPXZTAQKKE-UHFFFAOYSA-N 0 1 271.408 3.611 20 0 CHADMN CCCCCc1ccc(O[C@@H]2CCN(C)C2)c(F)c1 ZINC001234667476 1130670447 /nfs/dbraw/zinc/67/04/47/1130670447.db2.gz ICWLHWCVVIPGCG-CQSZACIVSA-N 0 1 265.372 3.641 20 0 CHADMN C[C@H](CC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C1CC1 ZINC000759752216 1130673066 /nfs/dbraw/zinc/67/30/66/1130673066.db2.gz ZWZGEQHPDVIJLK-MRVPVSSYSA-N 0 1 293.317 3.875 20 0 CHADMN O=C(C=C1CCCC1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000759745642 1130673126 /nfs/dbraw/zinc/67/31/26/1130673126.db2.gz AMWHOEULCUNGNO-UHFFFAOYSA-N 0 1 291.301 3.939 20 0 CHADMN CCC[C@H](Oc1nc(F)nc2nc[nH]c21)C1CCCCC1 ZINC001234689904 1130673387 /nfs/dbraw/zinc/67/33/87/1130673387.db2.gz JIXHABYUKQOVSZ-NSHDSACASA-N 0 1 292.358 3.620 20 0 CHADMN CCCCCCc1nnc(-c2c[nH]nc2CCC)o1 ZINC001256378081 1130673972 /nfs/dbraw/zinc/67/39/72/1130673972.db2.gz NBGKRDWIVVWVGO-UHFFFAOYSA-N 0 1 262.357 3.535 20 0 CHADMN COc1ccc(CN2CC3(C2)CCCC3)c(OC(C)C)c1 ZINC001234697379 1130674510 /nfs/dbraw/zinc/67/45/10/1130674510.db2.gz XZGGJYOLMAYLAH-UHFFFAOYSA-N 0 1 289.419 3.858 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccc([C@H](C)O)cc1 ZINC000780719606 1130688127 /nfs/dbraw/zinc/68/81/27/1130688127.db2.gz IHBHLAIERFPKPF-KBPBESRZSA-N 0 1 284.403 3.548 20 0 CHADMN COCC[C@H](NCc1cncc2ccccc21)c1ccco1 ZINC000780790412 1130692719 /nfs/dbraw/zinc/69/27/19/1130692719.db2.gz WBVDKWAXCPTZOI-KRWDZBQOSA-N 0 1 296.370 3.695 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000780926973 1130696210 /nfs/dbraw/zinc/69/62/10/1130696210.db2.gz UPYHZNYFKALFCU-YOEHRIQHSA-N 0 1 291.439 3.900 20 0 CHADMN Cc1cc(Br)cc(CN2CC(C3CC3)C2)c1 ZINC000812776735 1130712678 /nfs/dbraw/zinc/71/26/78/1130712678.db2.gz YPIQGTRQFZETST-UHFFFAOYSA-N 0 1 280.209 3.599 20 0 CHADMN FC(F)(F)c1cncc(CN2CC[C@@H](c3ccco3)C2)c1 ZINC000812826758 1130717106 /nfs/dbraw/zinc/71/71/06/1130717106.db2.gz VGHMSOONMYOAEM-GFCCVEGCSA-N 0 1 296.292 3.683 20 0 CHADMN COc1ncc(CN[C@@H]2CC[C@H](C)c3ccccc32)s1 ZINC000638774649 1130725068 /nfs/dbraw/zinc/72/50/68/1130725068.db2.gz DDDJZNFVHGENOU-XHDPSFHLSA-N 0 1 288.416 3.880 20 0 CHADMN Fc1cccc2cc(CN3CCCCC34CC4)[nH]c21 ZINC001235249424 1130727868 /nfs/dbraw/zinc/72/78/68/1130727868.db2.gz QUTGSCRGJHTWSE-UHFFFAOYSA-N 0 1 258.340 3.826 20 0 CHADMN Fc1cccc2cc(CN3CCC[C@@H](C(F)F)C3)[nH]c21 ZINC001235245199 1130728464 /nfs/dbraw/zinc/72/84/64/1130728464.db2.gz GTCUZKZOTKXQDZ-LLVKDONJSA-N 0 1 282.309 3.784 20 0 CHADMN CCc1cccc(CN2CCCc3ccc(OC)cc3C2)n1 ZINC001235268555 1130731708 /nfs/dbraw/zinc/73/17/08/1130731708.db2.gz XQPZKBFUXXOLJI-UHFFFAOYSA-N 0 1 296.414 3.601 20 0 CHADMN Cc1cnc(F)c(CN2CCC(c3cccs3)CC2)c1 ZINC001235333599 1130733880 /nfs/dbraw/zinc/73/38/80/1130733880.db2.gz FRUSMQZJMBCLGG-UHFFFAOYSA-N 0 1 290.407 3.970 20 0 CHADMN CC1(C)CCC[C@@H]1[C@@H]1CCN(Cc2cnc(Cl)cn2)C1 ZINC000830178189 1130733958 /nfs/dbraw/zinc/73/39/58/1130733958.db2.gz WBHYYJSQQMVXFM-TZMCWYRMSA-N 0 1 293.842 3.778 20 0 CHADMN Cc1cnc(F)c(CN2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001235340521 1130734775 /nfs/dbraw/zinc/73/47/75/1130734775.db2.gz UGCKYAKLXSOWQB-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN CCOc1cc(O)cc(CN2CCc3c(C)cccc3C2)c1 ZINC001235384405 1130737733 /nfs/dbraw/zinc/73/77/33/1130737733.db2.gz DVNVYUIEDGOMSB-UHFFFAOYSA-N 0 1 297.398 3.658 20 0 CHADMN Cc1cc(OC(C)C)ncc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001235421040 1130741345 /nfs/dbraw/zinc/74/13/45/1130741345.db2.gz KGEFCOADBUPQAI-HZPDHXFCSA-N 0 1 288.435 3.799 20 0 CHADMN COc1cc(CN2CCC3(CC(F)C3)CC2)cc(F)c1F ZINC001235434531 1130743273 /nfs/dbraw/zinc/74/32/73/1130743273.db2.gz LVVSOVHPWVEMOQ-UHFFFAOYSA-N 0 1 299.336 3.688 20 0 CHADMN CC[C@@H](C(=O)O[C@H](c1ccccc1)C(F)F)N(CC)CC ZINC000813178814 1130743425 /nfs/dbraw/zinc/74/34/25/1130743425.db2.gz MVHDRLVULIRGQC-UONOGXRCSA-N 0 1 299.361 3.656 20 0 CHADMN COc1cc(CN2[C@H](C)CCC[C@H]2C)cc(F)c1F ZINC001235434931 1130743729 /nfs/dbraw/zinc/74/37/29/1130743729.db2.gz VMSBJBWACHHECK-GHMZBOCLSA-N 0 1 269.335 3.736 20 0 CHADMN CCCC1CCN(Cc2cc(F)c(F)c(OC)c2)CC1 ZINC001235448886 1130744956 /nfs/dbraw/zinc/74/49/56/1130744956.db2.gz MPHQOOAPLCNMOJ-UHFFFAOYSA-N 0 1 283.362 3.986 20 0 CHADMN COc1cncc(CN(Cc2ccccc2)C2CC2)c1C ZINC001235471656 1130746931 /nfs/dbraw/zinc/74/69/31/1130746931.db2.gz WUPBTWGVHVUZFH-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2c[nH]c3cnc(Cl)cc23)C1 ZINC001235508107 1130751131 /nfs/dbraw/zinc/75/11/31/1130751131.db2.gz OVLHEXCPIWGMHD-OAHLLOKOSA-N 0 1 295.789 3.930 20 0 CHADMN Cc1cc(Cl)cc(CN(C)C2CC(F)(F)C2)c1 ZINC001235531155 1130752464 /nfs/dbraw/zinc/75/24/64/1130752464.db2.gz CIOGDNDVJFDOTQ-UHFFFAOYSA-N 0 1 259.727 3.878 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(C/C=C/Cl)[C@@H]2C ZINC000782096882 1130754059 /nfs/dbraw/zinc/75/40/59/1130754059.db2.gz GWAUGHQFQXZRJT-BLWPOKMGSA-N 0 1 265.784 3.755 20 0 CHADMN C[C@H]1CCN(Cc2ccnc(N(C)C)c2)[C@@H](c2ccco2)C1 ZINC000782174097 1130757560 /nfs/dbraw/zinc/75/75/60/1130757560.db2.gz CUCAWBBHMZTZNN-GOEBONIOSA-N 0 1 299.418 3.714 20 0 CHADMN CC(C)(C)OC(=O)n1cccc1CN1CCC[C@H](F)CC1 ZINC001235622574 1130758746 /nfs/dbraw/zinc/75/87/46/1130758746.db2.gz BRJXSAKLRMHMPY-ZDUSSCGKSA-N 0 1 296.386 3.595 20 0 CHADMN Cc1cncc(Br)c1CN1CCCC[C@@H]1C ZINC001235639290 1130760115 /nfs/dbraw/zinc/76/01/15/1130760115.db2.gz VCKGRRHEWCVTSG-NSHDSACASA-N 0 1 283.213 3.527 20 0 CHADMN COCC1=CCN([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000782193449 1130760891 /nfs/dbraw/zinc/76/08/91/1130760891.db2.gz HJAPYCJHIJZTRP-MRXNPFEDSA-N 0 1 277.795 3.606 20 0 CHADMN CC[C@H]1CCCN1Cc1c(C)cncc1Br ZINC001235647758 1130761914 /nfs/dbraw/zinc/76/19/14/1130761914.db2.gz RVRYMQICYAKSKN-NSHDSACASA-N 0 1 283.213 3.527 20 0 CHADMN C[C@@H]1CN(Cc2nc3ccc(F)cc3[nH]2)Cc2ccccc21 ZINC001235681545 1130767993 /nfs/dbraw/zinc/76/79/93/1130767993.db2.gz CLLFWWYHWBNISI-GFCCVEGCSA-N 0 1 295.361 3.821 20 0 CHADMN Cc1cccc2c1CCN(Cc1nc3ccc(F)cc3[nH]1)C2 ZINC001235685434 1130768647 /nfs/dbraw/zinc/76/86/47/1130768647.db2.gz ZRQBSLZBMQGBHZ-UHFFFAOYSA-N 0 1 295.361 3.569 20 0 CHADMN COc1nc2ccccc2nc1-c1cc(Cl)ccc1O ZINC001245048465 1130772509 /nfs/dbraw/zinc/77/25/09/1130772509.db2.gz ASIXTWHRGSQAHT-UHFFFAOYSA-N 0 1 286.718 3.664 20 0 CHADMN Oc1ccc(Cl)cc1-c1ncnc2ccsc21 ZINC001245051050 1130773907 /nfs/dbraw/zinc/77/39/07/1130773907.db2.gz AQZADETUVUVDIM-UHFFFAOYSA-N 0 1 262.721 3.717 20 0 CHADMN CC(C)[C@@H](C)N(C)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000782451088 1130779089 /nfs/dbraw/zinc/77/90/89/1130779089.db2.gz ZTKNOQSBEBXKNA-MRVPVSSYSA-N 0 1 297.752 3.569 20 0 CHADMN CCOc1cc(CN2CC3(C2)CCCC3)ccc1F ZINC001235801280 1130780796 /nfs/dbraw/zinc/78/07/96/1130780796.db2.gz YGKACJTZYFSQSN-UHFFFAOYSA-N 0 1 263.356 3.600 20 0 CHADMN COc1cccc2c1CCN(Cc1ccc(CF)cc1)C2 ZINC000782526358 1130781962 /nfs/dbraw/zinc/78/19/62/1130781962.db2.gz GMXKOWKCBFUIAZ-UHFFFAOYSA-N 0 1 285.362 3.723 20 0 CHADMN Cc1nc2cc(CN3CCC(F)(F)CC3)ccc2s1 ZINC001235853741 1130788478 /nfs/dbraw/zinc/78/84/78/1130788478.db2.gz WOPKMALMMJWILV-UHFFFAOYSA-N 0 1 282.359 3.836 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCCc2ccsc2)no1 ZINC000782900802 1130790421 /nfs/dbraw/zinc/79/04/21/1130790421.db2.gz WIAAWEIPPIRFGI-HNNXBMFYSA-N 0 1 276.405 3.814 20 0 CHADMN C[C@@H](CN[C@H](c1ncc[nH]1)c1ccccc1)C(C)(C)C ZINC000783246307 1130806989 /nfs/dbraw/zinc/80/69/89/1130806989.db2.gz QVOOGLUJTIMAKI-ZFWWWQNUSA-N 0 1 271.408 3.771 20 0 CHADMN Clc1ccc2c(c1)CCN(Cc1ccc3c(c1)CCN3)C2 ZINC001235940028 1130810610 /nfs/dbraw/zinc/81/06/10/1130810610.db2.gz NJBFDLIJPDTHGL-UHFFFAOYSA-N 0 1 298.817 3.866 20 0 CHADMN Cc1cc(C(C)C)nc(-c2c(F)cc(F)c(O)c2F)n1 ZINC001235992653 1130824211 /nfs/dbraw/zinc/82/42/11/1130824211.db2.gz JOSWBSZYGGJKOJ-UHFFFAOYSA-N 0 1 282.265 3.698 20 0 CHADMN CC(C)c1ccc(-c2c(F)cc(F)c(O)c2F)cn1 ZINC001235995198 1130824652 /nfs/dbraw/zinc/82/46/52/1130824652.db2.gz BESDCHKJYHHRSX-UHFFFAOYSA-N 0 1 267.250 3.995 20 0 CHADMN CSc1ncc(-c2c(F)cc(F)c(O)c2F)cc1C ZINC001235993254 1130824689 /nfs/dbraw/zinc/82/46/89/1130824689.db2.gz FXUPVPYEQXGCHQ-UHFFFAOYSA-N 0 1 285.290 3.902 20 0 CHADMN Cc1cc2cccnc2c(-c2c(F)cc(F)c(O)c2F)n1 ZINC001235992495 1130824730 /nfs/dbraw/zinc/82/47/30/1130824730.db2.gz IGNAQEYCFKYTMY-UHFFFAOYSA-N 0 1 290.244 3.728 20 0 CHADMN C[C@@H]1C(=O)Nc2cc(-c3c(F)cc(F)c(O)c3F)ccc21 ZINC001235995517 1130825070 /nfs/dbraw/zinc/82/50/70/1130825070.db2.gz ORVSBCHTVQFMAG-LURJTMIESA-N 0 1 293.244 3.532 20 0 CHADMN Cc1cccc(F)c1-c1c(F)cc(F)c(O)c1F ZINC001235995197 1130825185 /nfs/dbraw/zinc/82/51/85/1130825185.db2.gz BEOWFYHYWUBAHU-UHFFFAOYSA-N 0 1 256.198 3.924 20 0 CHADMN COc1c(F)cccc1-c1c(F)cc(F)c(O)c1F ZINC001235996593 1130826600 /nfs/dbraw/zinc/82/66/00/1130826600.db2.gz WLOWNQFLSOPTFP-UHFFFAOYSA-N 0 1 272.197 3.624 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc3cc[nH]c3c2)c1F ZINC001235996549 1130827169 /nfs/dbraw/zinc/82/71/69/1130827169.db2.gz WFUJTRVPUXDFGN-UHFFFAOYSA-N 0 1 263.218 3.958 20 0 CHADMN COc1c(F)cc(F)cc1-c1c(F)cc(F)c(O)c1F ZINC001235996629 1130827460 /nfs/dbraw/zinc/82/74/60/1130827460.db2.gz WWZKPPMNHFHYHU-UHFFFAOYSA-N 0 1 290.187 3.763 20 0 CHADMN CC(C)Oc1cncc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001236003033 1130828765 /nfs/dbraw/zinc/82/87/65/1130828765.db2.gz ZCALENGMMYHHPH-UHFFFAOYSA-N 0 1 283.249 3.659 20 0 CHADMN COc1c(F)ccc(C)c1-c1c(F)cc(F)c(O)c1F ZINC001236002557 1130829121 /nfs/dbraw/zinc/82/91/21/1130829121.db2.gz PGHSCKUWZRIKNZ-UHFFFAOYSA-N 0 1 286.224 3.933 20 0 CHADMN Oc1c(F)cc(F)c(-c2cccc3c2OCCC3)c1F ZINC001236001345 1130830748 /nfs/dbraw/zinc/83/07/48/1130830748.db2.gz XDGXTNPEGIZKJE-UHFFFAOYSA-N 0 1 280.245 3.802 20 0 CHADMN COCOc1ccc(F)cc1-c1cc2nc[nH]c2cc1C ZINC001236071690 1130847971 /nfs/dbraw/zinc/84/79/71/1130847971.db2.gz ZJHQZMVHOSVWCV-UHFFFAOYSA-N 0 1 286.306 3.660 20 0 CHADMN Cc1cnc(=S)n(CN2CCC[C@H](c3ccccc3)C2)c1 ZINC000814225994 1130849428 /nfs/dbraw/zinc/84/94/28/1130849428.db2.gz NNERWLOPOAVEBK-INIZCTEOSA-N 0 1 299.443 3.758 20 0 CHADMN Cc1ccccc1[C@@H](O)CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000814251128 1130855437 /nfs/dbraw/zinc/85/54/37/1130855437.db2.gz DQIQIVFDPVGGNR-ROUUACIJSA-N 0 1 296.414 3.507 20 0 CHADMN Cc1ccc(CN2CCc3cc(N)ccc3C2)cc1Cl ZINC001236104943 1130863993 /nfs/dbraw/zinc/86/39/93/1130863993.db2.gz CIDCGXGMKPICSZ-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN CC(C)(C)c1nnc(COC(=O)CCC2CCCCC2)[nH]1 ZINC000814354594 1130868738 /nfs/dbraw/zinc/86/87/38/1130868738.db2.gz MZEVISRYMOOWKM-UHFFFAOYSA-N 0 1 293.411 3.506 20 0 CHADMN CC(C)(C)c1nc(COC(=O)CCC2CCCCC2)n[nH]1 ZINC000814354594 1130868740 /nfs/dbraw/zinc/86/87/40/1130868740.db2.gz MZEVISRYMOOWKM-UHFFFAOYSA-N 0 1 293.411 3.506 20 0 CHADMN CC(C)c1cn(CN(C)C[C@H]2CC=CCC2)c(=S)n1C ZINC000784013071 1130869328 /nfs/dbraw/zinc/86/93/28/1130869328.db2.gz HZVUCUQVSDACLE-AWEZNQCLSA-N 0 1 293.480 3.925 20 0 CHADMN Cc1nc2cccc(-c3cccnc3N3CCCC3)c2[nH]1 ZINC001236132163 1130872769 /nfs/dbraw/zinc/87/27/69/1130872769.db2.gz JHPROMGLSUGTBX-UHFFFAOYSA-N 0 1 278.359 3.534 20 0 CHADMN CN[C@H]1CCN1Cc1cc(C)c(-c2ccc(F)cc2)c(C)c1 ZINC001236167284 1130878031 /nfs/dbraw/zinc/87/80/31/1130878031.db2.gz NFJJJIQFKUHQFS-GOSISDBHSA-N 0 1 298.405 3.861 20 0 CHADMN Cc1cc(F)ccc1CN1CC[C@@H](C(F)(F)F)C1 ZINC000784222407 1130892133 /nfs/dbraw/zinc/89/21/33/1130892133.db2.gz KCTKAYGOWCARCJ-LLVKDONJSA-N 0 1 261.262 3.518 20 0 CHADMN C[C@@H](NC[C@](C)(O)C(F)F)c1cccc(Cl)c1Cl ZINC000698703034 1130894067 /nfs/dbraw/zinc/89/40/67/1130894067.db2.gz KOPDIBDPFRZYJX-KRTXAFLBSA-N 0 1 298.160 3.660 20 0 CHADMN Cc1ccc(Cl)c(CN2CCc3ccc(N)cc3C2)c1 ZINC001236234287 1130900324 /nfs/dbraw/zinc/90/03/24/1130900324.db2.gz NVXZKDJSBCCQHR-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@@H](COC)c2ccco2)C1(CC)CC ZINC000776162792 1130913222 /nfs/dbraw/zinc/91/32/22/1130913222.db2.gz LYLAFUFEUXUBQU-CWRNSKLLSA-N 0 1 295.423 3.541 20 0 CHADMN Cc1ccc2[nH]c(CN3CCc4c(N)cccc4C3)cc2c1 ZINC001236362244 1130919250 /nfs/dbraw/zinc/91/92/50/1130919250.db2.gz FJKFINSAEOARGA-UHFFFAOYSA-N 0 1 291.398 3.617 20 0 CHADMN Cc1cc(Br)sc1CN1CC[C@H](C)C1 ZINC001236829635 1131016750 /nfs/dbraw/zinc/01/67/50/1131016750.db2.gz NYNIXVBICHDBKD-QMMMGPOBSA-N 0 1 274.227 3.661 20 0 CHADMN C[C@@H](N[C@H](CC1CC1)c1ccccc1)c1ncc[nH]1 ZINC000796879540 1130942416 /nfs/dbraw/zinc/94/24/16/1130942416.db2.gz KUBUPQZGBWFDSX-IUODEOHRSA-N 0 1 255.365 3.602 20 0 CHADMN CCCOc1ccc(N[C@H]2CCCc3[nH]ncc32)c(C)c1 ZINC000796910072 1130945648 /nfs/dbraw/zinc/94/56/48/1130945648.db2.gz ANPUVKMPWJSCQW-INIZCTEOSA-N 0 1 285.391 3.996 20 0 CHADMN Brc1cc(CN2CCCCCCC2)ccn1 ZINC000815007779 1130949581 /nfs/dbraw/zinc/94/95/81/1130949581.db2.gz DRSQAJFHKRKCIQ-UHFFFAOYSA-N 0 1 283.213 3.610 20 0 CHADMN CC1(C)Cc2cccc(N[C@H]3CCCc4[nH]ncc43)c2O1 ZINC000796966204 1130949683 /nfs/dbraw/zinc/94/96/83/1130949683.db2.gz KQSYMHCHADEJDW-ZDUSSCGKSA-N 0 1 283.375 3.613 20 0 CHADMN CSc1cccc(COC(=O)c2cccc3[nH]ncc32)c1 ZINC000797031749 1130955257 /nfs/dbraw/zinc/95/52/57/1130955257.db2.gz RRXZIDQAGSNMPI-UHFFFAOYSA-N 0 1 298.367 3.642 20 0 CHADMN C[C@H]1CCN(C[C@H](O)c2cccc3ccccc32)C[C@H]1F ZINC000815087840 1130957277 /nfs/dbraw/zinc/95/72/77/1130957277.db2.gz QCLNNMHRBGPZKG-VHSSKADRSA-N 0 1 287.378 3.553 20 0 CHADMN Cc1cc(-c2cncc(OC(C)C)c2)cc2nc[nH]c21 ZINC001236518632 1130961473 /nfs/dbraw/zinc/96/14/73/1130961473.db2.gz HTNIGIHPBSWABS-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN CC(C)Oc1cncc(-c2cccc(CN(C)C)c2F)c1 ZINC001236522949 1130963567 /nfs/dbraw/zinc/96/35/67/1130963567.db2.gz GBGUOPONSISCGR-UHFFFAOYSA-N 0 1 288.366 3.737 20 0 CHADMN COc1ccc(Cl)cc1CNc1cc2c(cn1)CCC2 ZINC000815158858 1130963617 /nfs/dbraw/zinc/96/36/17/1130963617.db2.gz CKKOZRGIUSWUNZ-UHFFFAOYSA-N 0 1 288.778 3.844 20 0 CHADMN Cc1c(Br)cccc1CN1CCC(F)CC1 ZINC001236612536 1130983332 /nfs/dbraw/zinc/98/33/32/1130983332.db2.gz JIMITYJEPMDXHN-UHFFFAOYSA-N 0 1 286.188 3.691 20 0 CHADMN CN(Cc1nccnc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC001236611612 1130983829 /nfs/dbraw/zinc/98/38/29/1130983829.db2.gz NWEHWDBJFDSAKP-UHFFFAOYSA-N 0 1 291.826 3.531 20 0 CHADMN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001236641138 1130987670 /nfs/dbraw/zinc/98/76/70/1130987670.db2.gz CYUYYLOYQUYMFN-PHIMTYICSA-N 0 1 252.789 3.521 20 0 CHADMN COc1cc2ccccc2cc1CN(C)C[C@@H]1CCCCO1 ZINC001236676203 1130991317 /nfs/dbraw/zinc/99/13/17/1130991317.db2.gz UQJLXEUWJNKAEW-SFHVURJKSA-N 0 1 299.414 3.849 20 0 CHADMN C[C@@H]1CN(Cc2cccc3sccc32)[C@@H](C)CO1 ZINC001236681360 1130992231 /nfs/dbraw/zinc/99/22/31/1130992231.db2.gz HCHMJMNQDCCKEI-NWDGAFQWSA-N 0 1 261.390 3.511 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(Br)c(O)c2)CC1 ZINC001236683086 1130993367 /nfs/dbraw/zinc/99/33/67/1130993367.db2.gz GIDAHQGGZFGZII-LLVKDONJSA-N 0 1 298.224 3.777 20 0 CHADMN C[C@@H]1CCCCCN1Cc1ccc(Br)c(O)c1 ZINC001236685851 1130994508 /nfs/dbraw/zinc/99/45/08/1130994508.db2.gz PEYRJRTXMSAWEX-LLVKDONJSA-N 0 1 298.224 3.919 20 0 CHADMN C[C@@H]1CCCCN(Cc2ccc(Br)c(O)c2)C1 ZINC001236691615 1130994544 /nfs/dbraw/zinc/99/45/44/1130994544.db2.gz INMCLSMWJPLLSD-LLVKDONJSA-N 0 1 298.224 3.777 20 0 CHADMN Oc1cc(CN2CCC[C@H]2c2ccccc2)ccc1F ZINC001236706136 1130995334 /nfs/dbraw/zinc/99/53/34/1130995334.db2.gz TYBDZXRGHPUXLV-INIZCTEOSA-N 0 1 271.335 3.868 20 0 CHADMN CCOc1ncc(CN2CCC3(C2)CCCCC3)cc1F ZINC001236694256 1130995359 /nfs/dbraw/zinc/99/53/59/1130995359.db2.gz IMWUMGXLGVIDQZ-UHFFFAOYSA-N 0 1 292.398 3.776 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cnn(C(C)C)c2)cc(Cl)n1 ZINC000797600246 1130995936 /nfs/dbraw/zinc/99/59/36/1130995936.db2.gz NMSMILNJICBMCV-LBPRGKRZSA-N 0 1 292.814 3.672 20 0 CHADMN Cc1cc(CN2CC[C@H]2Cc2ccccc2)cc(Cl)n1 ZINC000797592332 1130996551 /nfs/dbraw/zinc/99/65/51/1130996551.db2.gz VBSVHMYPBULWNG-INIZCTEOSA-N 0 1 286.806 3.860 20 0 CHADMN Cc1c(F)ccc(CN2CC[C@@H]3OCCC[C@H]3C2)c1Cl ZINC001236708897 1130997849 /nfs/dbraw/zinc/99/78/49/1130997849.db2.gz RYDBCJARWVACLY-WFASDCNBSA-N 0 1 297.801 3.788 20 0 CHADMN C[C@]1(CF)CCN(Cc2ccc(OC(F)F)cc2F)C1 ZINC001236718870 1130999762 /nfs/dbraw/zinc/99/97/62/1130999762.db2.gz QFLCUVGWZHXDPJ-CQSZACIVSA-N 0 1 291.288 3.609 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1cccc2c1OCO2 ZINC000815562432 1130999860 /nfs/dbraw/zinc/99/98/60/1130999860.db2.gz FIMZAXWEGXKJOR-GFCCVEGCSA-N 0 1 287.334 3.714 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2CC[C@@H](C)C[C@H]2C)c1 ZINC001236776125 1131005554 /nfs/dbraw/zinc/00/55/54/1131005554.db2.gz QDRNFEXFMVYOKH-VXGBXAGGSA-N 0 1 295.810 3.747 20 0 CHADMN CC1=CCCN(C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000797998890 1131019927 /nfs/dbraw/zinc/01/99/27/1131019927.db2.gz MIADEPXESIXLFD-CQSZACIVSA-N 0 1 286.202 3.679 20 0 CHADMN Cc1ccc(CN(C2CC2)C2COC2)c2ccccc12 ZINC001138017061 1131021448 /nfs/dbraw/zinc/02/14/48/1131021448.db2.gz WCVSMCUPHVRKDP-UHFFFAOYSA-N 0 1 267.372 3.511 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1ccc(F)c2ccoc21 ZINC001236889138 1131027867 /nfs/dbraw/zinc/02/78/67/1131027867.db2.gz ABPDEHVTBVFGIK-KOLCDFICSA-N 0 1 251.276 3.504 20 0 CHADMN Clc1cc(CN2CC3(CCC3)C2)ccc1-n1ccnc1 ZINC001236906228 1131032039 /nfs/dbraw/zinc/03/20/39/1131032039.db2.gz JVZGHOWKIWGNOG-UHFFFAOYSA-N 0 1 287.794 3.512 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CC[C@@H](c2ccccn2)C1 ZINC000798415369 1131036859 /nfs/dbraw/zinc/03/68/59/1131036859.db2.gz HHMHLRBJPVDMFS-CYBMUJFWSA-N 0 1 293.345 3.763 20 0 CHADMN Oc1cc2ccccc2c(CN2CCCC[C@@H](F)C2)c1 ZINC001237066654 1131045516 /nfs/dbraw/zinc/04/55/16/1131045516.db2.gz WKFGDILJFZNELZ-OAHLLOKOSA-N 0 1 273.351 3.869 20 0 CHADMN CN(Cc1ccccn1)Cc1cc(O)cc2ccccc21 ZINC001237065525 1131045557 /nfs/dbraw/zinc/04/55/57/1131045557.db2.gz LRBOOCJQKXSIKX-UHFFFAOYSA-N 0 1 278.355 3.572 20 0 CHADMN Cc1ncc(CN(C)Cc2ccc(C3CCC3)cc2)cn1 ZINC001237106885 1131051598 /nfs/dbraw/zinc/05/15/98/1131051598.db2.gz KFAXLVFHGCMYJJ-UHFFFAOYSA-N 0 1 281.403 3.685 20 0 CHADMN CSc1ccc([C@H](C)OC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC000798894801 1131056268 /nfs/dbraw/zinc/05/62/68/1131056268.db2.gz NFBZBBMYFHAGTL-WFASDCNBSA-N 0 1 295.448 3.599 20 0 CHADMN CCCC[N@H+](CCC)Cc1sc(=O)[n-]c1Cl ZINC001237150148 1131057304 /nfs/dbraw/zinc/05/73/04/1131057304.db2.gz LVHQRVAJJDYMCS-UHFFFAOYSA-N 0 1 262.806 3.514 20 0 CHADMN CCCC[N@@H+](CCC)Cc1sc(=O)[n-]c1Cl ZINC001237150148 1131057311 /nfs/dbraw/zinc/05/73/11/1131057311.db2.gz LVHQRVAJJDYMCS-UHFFFAOYSA-N 0 1 262.806 3.514 20 0 CHADMN Cc1c(CN2CC[C@@]3(CC3(F)F)C2)ccc(F)c1F ZINC001237164036 1131061368 /nfs/dbraw/zinc/06/13/68/1131061368.db2.gz VEXPPOYCVVBVBU-CYBMUJFWSA-N 0 1 273.273 3.504 20 0 CHADMN Fc1ccc(Cl)cc1CN1CC[C@H](c2ccccn2)C1 ZINC000798963581 1131063979 /nfs/dbraw/zinc/06/39/79/1131063979.db2.gz DKZLBXDDMFJCHF-LBPRGKRZSA-N 0 1 290.769 3.864 20 0 CHADMN c1cc(CN2CCC[C@@H]2c2ncccn2)c2cccccc1-2 ZINC001237186310 1131067308 /nfs/dbraw/zinc/06/73/08/1131067308.db2.gz WKLBZOYUXQXZBT-GOSISDBHSA-N 0 1 289.382 3.919 20 0 CHADMN Fc1ccc([C@@H]2CC[N@H+](Cc3occc3[S-])C2)cc1 ZINC001237193275 1131068906 /nfs/dbraw/zinc/06/89/06/1131068906.db2.gz ZZLRWILZORVBSM-GFCCVEGCSA-N 0 1 277.364 3.697 20 0 CHADMN Fc1ccc([C@@H]2CC[N@@H+](Cc3occc3[S-])C2)cc1 ZINC001237193275 1131068913 /nfs/dbraw/zinc/06/89/13/1131068913.db2.gz ZZLRWILZORVBSM-GFCCVEGCSA-N 0 1 277.364 3.697 20 0 CHADMN CN(Cc1cnc(Cl)cn1)[C@H]1CCCc2ccccc21 ZINC000799105523 1131068995 /nfs/dbraw/zinc/06/89/95/1131068995.db2.gz AVSRKSCAAOFEMO-HNNXBMFYSA-N 0 1 287.794 3.639 20 0 CHADMN Cc1ccc(Cl)c(CN2CCNC3=CCCC[C@H]32)c1F ZINC001237217693 1131071463 /nfs/dbraw/zinc/07/14/63/1131071463.db2.gz CNNCRORBTSOOKC-OAHLLOKOSA-N 0 1 294.801 3.629 20 0 CHADMN Clc1cnc(CN(C2CC2)[C@H]2CCc3ccccc32)cn1 ZINC000799129323 1131072315 /nfs/dbraw/zinc/07/23/15/1131072315.db2.gz MAZNRBINMAFYPO-INIZCTEOSA-N 0 1 299.805 3.782 20 0 CHADMN COc1nc(Cl)ccc1CN1CCC[C@H]2CCCC[C@H]21 ZINC001237242405 1131072442 /nfs/dbraw/zinc/07/24/42/1131072442.db2.gz FARXVKZXMWQQEA-TZMCWYRMSA-N 0 1 294.826 3.898 20 0 CHADMN CCOC(=O)c1nc(CN(CC)C(CC)CC)sc1C ZINC001237241587 1131072504 /nfs/dbraw/zinc/07/25/04/1131072504.db2.gz QGLSDHOIKVAWHX-UHFFFAOYSA-N 0 1 298.452 3.639 20 0 CHADMN Clc1ccc(Cl)c(CN2CCNC3=CCCC[C@H]32)c1 ZINC001237218513 1131072854 /nfs/dbraw/zinc/07/28/54/1131072854.db2.gz IBMULZASAVOLFJ-OAHLLOKOSA-N 0 1 297.229 3.835 20 0 CHADMN Cc1c(Cl)ccc(CN2CCNC3=CCCC[C@@H]32)c1F ZINC001237231234 1131073340 /nfs/dbraw/zinc/07/33/40/1131073340.db2.gz WNLXYIQFLZXHGT-HNNXBMFYSA-N 0 1 294.801 3.629 20 0 CHADMN CCCCCc1ccc(NC(=O)c2[nH]cnc2CC)cc1 ZINC001135504156 1131073833 /nfs/dbraw/zinc/07/38/33/1131073833.db2.gz ANHPZZCIRDSSGN-UHFFFAOYSA-N 0 1 285.391 3.957 20 0 CHADMN O=C(Nc1cccc(F)c1)c1ccc(NC2=NCCC2)cc1 ZINC001135508005 1131074202 /nfs/dbraw/zinc/07/42/02/1131074202.db2.gz QJYGBFVOUYFAJT-UHFFFAOYSA-N 0 1 297.333 3.682 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ccc(Cl)nc1OC ZINC001237254038 1131074442 /nfs/dbraw/zinc/07/44/42/1131074442.db2.gz XJPGGGXBYYKERV-GFCCVEGCSA-N 0 1 268.788 3.508 20 0 CHADMN CC[C@@H]1CCCN(Cc2ccncc2C(F)(F)F)C1 ZINC001237296218 1131078047 /nfs/dbraw/zinc/07/80/47/1131078047.db2.gz XZBVPBXCEMWTKN-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN C[C@H]1COCC[C@H]1Nc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001170822453 1131085834 /nfs/dbraw/zinc/08/58/34/1131085834.db2.gz BEWITXVRVJCFQQ-XHDPSFHLSA-N 0 1 281.359 3.553 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H](C)[C@@](C)(O)CC2)c1Cl ZINC001138022983 1131092152 /nfs/dbraw/zinc/09/21/52/1131092152.db2.gz UPFAFIYRIHLOSW-WBMJQRKESA-N 0 1 299.817 3.770 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1cnccc1Br ZINC001237388407 1131094193 /nfs/dbraw/zinc/09/41/93/1131094193.db2.gz PESNAPGHKVGQCD-GHMZBOCLSA-N 0 1 283.213 3.607 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cnccc1Br ZINC001237383330 1131095125 /nfs/dbraw/zinc/09/51/25/1131095125.db2.gz UORVRDRCCCKFLW-LLVKDONJSA-N 0 1 283.213 3.609 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1cccc(C(C)C)c1)C2 ZINC001237463579 1131102044 /nfs/dbraw/zinc/10/20/44/1131102044.db2.gz VISNQELDELLCCB-IRXDYDNUSA-N 0 1 259.393 3.563 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2C)c(Br)cc1F ZINC001237505210 1131105943 /nfs/dbraw/zinc/10/59/43/1131105943.db2.gz DWJNTFGXXOCAAX-JTQLQIEISA-N 0 1 286.188 3.881 20 0 CHADMN BrC1=CCCN(C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000799737099 1131106758 /nfs/dbraw/zinc/10/67/58/1131106758.db2.gz WBPYVGCALYUNJW-DZGCQCFKSA-N 0 1 292.220 3.775 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)C2)c(Br)cc1F ZINC001237506883 1131106825 /nfs/dbraw/zinc/10/68/25/1131106825.db2.gz NFNZWYIJPXQKOU-SECBINFHSA-N 0 1 286.188 3.738 20 0 CHADMN COc1c(C)cccc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC001237511480 1131107565 /nfs/dbraw/zinc/10/75/65/1131107565.db2.gz QZWMVXLFBYYZHQ-CYBMUJFWSA-N 0 1 287.325 3.778 20 0 CHADMN CC(C)[C@@H]1COCCN1Cc1cccc2c(F)cccc12 ZINC001237519329 1131109138 /nfs/dbraw/zinc/10/91/38/1131109138.db2.gz RFXFMPQRVSRSGE-SFHVURJKSA-N 0 1 287.378 3.836 20 0 CHADMN Oc1cccc(F)c1-c1ccc(-c2ccsc2)nn1 ZINC001245655781 1131109446 /nfs/dbraw/zinc/10/94/46/1131109446.db2.gz UXYYRASUOILDQK-UHFFFAOYSA-N 0 1 272.304 3.717 20 0 CHADMN CN(Cc1cccc(-c2ccccc2)n1)C1CC(F)(F)C1 ZINC001237543199 1131112721 /nfs/dbraw/zinc/11/27/21/1131112721.db2.gz RURNOPNCZORLIE-UHFFFAOYSA-N 0 1 288.341 3.978 20 0 CHADMN CO[C@H]1CN(Cc2cccc(-c3ccccc3)c2C)C[C@@H]1F ZINC001237580168 1131115668 /nfs/dbraw/zinc/11/56/68/1131115668.db2.gz GAKVQQAFSJOLAH-OALUTQOASA-N 0 1 299.389 3.831 20 0 CHADMN COc1ccc(OC)c(CN2CCC(C(C)C)CC2)c1F ZINC001237579754 1131116031 /nfs/dbraw/zinc/11/60/31/1131116031.db2.gz HXQRJHHDNFROOT-UHFFFAOYSA-N 0 1 295.398 3.711 20 0 CHADMN Cc1nn(-c2ccc(Cl)cc2)cc1CN1C[C@H](C)[C@@H]1C ZINC000816646578 1131117954 /nfs/dbraw/zinc/11/79/54/1131117954.db2.gz GECCUTNELWDZRD-AAEUAGOBSA-N 0 1 289.810 3.674 20 0 CHADMN C[C@@H]1CN(Cc2c(Cl)cccc2N2CCCC2)[C@H]1C ZINC000816646435 1131118167 /nfs/dbraw/zinc/11/81/67/1131118167.db2.gz DEMNQUUAGOPDNP-OLZOCXBDSA-N 0 1 278.827 3.780 20 0 CHADMN CCOc1ccc(CN2CCCC(F)(F)CC2)c(F)c1 ZINC001237628379 1131120606 /nfs/dbraw/zinc/12/06/06/1131120606.db2.gz UJEXJDKNZYVITH-UHFFFAOYSA-N 0 1 287.325 3.846 20 0 CHADMN CCCOc1ccc(CN2C[C@@H](C)[C@H]2C)cc1OCC ZINC000816649437 1131121063 /nfs/dbraw/zinc/12/10/63/1131121063.db2.gz ZGAZYPAFRBTKEK-ZIAGYGMSSA-N 0 1 277.408 3.714 20 0 CHADMN CCc1ccc(-c2n[nH]c(SCC(C)C)n2)cc1 ZINC001115860350 1131122041 /nfs/dbraw/zinc/12/20/41/1131122041.db2.gz ZXGHSRDXYVOIDT-UHFFFAOYSA-N 0 1 261.394 3.782 20 0 CHADMN Cc1cc(CNc2cc3c(cn2)CCC3)cc(Cl)n1 ZINC000816660553 1131122063 /nfs/dbraw/zinc/12/20/63/1131122063.db2.gz INLODVACPCKITG-UHFFFAOYSA-N 0 1 273.767 3.539 20 0 CHADMN Cc1coc(CN2CCC[C@@H](CCc3ccccc3)C2)n1 ZINC001237637519 1131122759 /nfs/dbraw/zinc/12/27/59/1131122759.db2.gz DHYTXLDVUNIMCD-KRWDZBQOSA-N 0 1 284.403 3.828 20 0 CHADMN CCCCc1ccc(NC(=O)c2cn[nH]c2CCC)cc1 ZINC001115915627 1131123618 /nfs/dbraw/zinc/12/36/18/1131123618.db2.gz LNRKVQMWUZKSLS-UHFFFAOYSA-N 0 1 285.391 3.957 20 0 CHADMN CCc1n[nH]cc1CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001237650422 1131124001 /nfs/dbraw/zinc/12/40/01/1131124001.db2.gz GOSWLMVWQIJATF-MRXNPFEDSA-N 0 1 289.810 3.963 20 0 CHADMN Oc1ccc(-c2ccc(CN3CCC[C@@H](F)C3)cc2)cc1 ZINC001237660755 1131124972 /nfs/dbraw/zinc/12/49/72/1131124972.db2.gz CTBFDAAANYYNRC-QGZVFWFLSA-N 0 1 285.362 3.993 20 0 CHADMN Cc1cc(C)c(Cl)c(CN2CCCO[C@H](C)C2)c1 ZINC001237697213 1131128411 /nfs/dbraw/zinc/12/84/11/1131128411.db2.gz JAPKPFHBPAZUBS-CYBMUJFWSA-N 0 1 267.800 3.568 20 0 CHADMN Cc1cc(C)c(Cl)c(CN2CC[C@H]3CCCO[C@@H]3C2)c1 ZINC001237698802 1131128936 /nfs/dbraw/zinc/12/89/36/1131128936.db2.gz QVSXXPFRMKVTKO-GDBMZVCRSA-N 0 1 293.838 3.958 20 0 CHADMN Cc1cc(C)c(Cl)c(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c1 ZINC001237704074 1131131090 /nfs/dbraw/zinc/13/10/90/1131131090.db2.gz FELGNJAMAHSRLQ-HIFRSBDPSA-N 0 1 291.822 3.758 20 0 CHADMN Cc1c(Cl)cccc1CN1CCC(F)(F)CC1 ZINC001237731469 1131133335 /nfs/dbraw/zinc/13/33/35/1131133335.db2.gz RLKAADRSHVYHME-UHFFFAOYSA-N 0 1 259.727 3.880 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1ccc(OC(C)C)c(C)c1)C2 ZINC001237725678 1131134236 /nfs/dbraw/zinc/13/42/36/1131134236.db2.gz BXHCJVCFOKFHAE-WMZOPIPTSA-N 0 1 289.419 3.536 20 0 CHADMN CCc1cc(CN2CC[C@H]3CCCO[C@@H]3C2)ccc1Cl ZINC001237737455 1131134976 /nfs/dbraw/zinc/13/49/76/1131134976.db2.gz YMASALBCEVTQQO-NVXWUHKLSA-N 0 1 293.838 3.903 20 0 CHADMN CCc1cc(CN2CC[C@@H]3CCCO[C@@H]3C2)ccc1Cl ZINC001237737454 1131135003 /nfs/dbraw/zinc/13/50/03/1131135003.db2.gz YMASALBCEVTQQO-DOTOQJQBSA-N 0 1 293.838 3.903 20 0 CHADMN CC[C@@H](C)CONC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC000816980449 1131135657 /nfs/dbraw/zinc/13/56/57/1131135657.db2.gz LJQNKLYFHBFMCB-DOMZBBRYSA-N 0 1 281.371 3.659 20 0 CHADMN CC[C@@H](C)CONC(=O)C(C)(C)c1ccccc1Cl ZINC000816978128 1131135803 /nfs/dbraw/zinc/13/58/03/1131135803.db2.gz NKIASBDHLPXVQG-LLVKDONJSA-N 0 1 283.799 3.712 20 0 CHADMN CC(C)C[C@@H]1CCCCN1C(=O)c1cnc(C(C)C)[nH]1 ZINC001116255795 1131136640 /nfs/dbraw/zinc/13/66/40/1131136640.db2.gz LHBOTJVSFVTGBY-ZDUSSCGKSA-N 0 1 277.412 3.574 20 0 CHADMN CCC/C(C)=C/C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000817017316 1131136815 /nfs/dbraw/zinc/13/68/15/1131136815.db2.gz IUAAIDZOWCDXBK-MDZDMXLPSA-N 0 1 257.337 3.556 20 0 CHADMN C[N@@H+](Cc1cc(F)c([O-])c(Cl)c1)C1CCCC1 ZINC001237988448 1131157736 /nfs/dbraw/zinc/15/77/36/1131157736.db2.gz IDHZJMJGFYJEKD-UHFFFAOYSA-N 0 1 257.736 3.559 20 0 CHADMN Cc1cc(CNc2ccc(C)cc2OCC(F)(F)F)n[nH]1 ZINC001116315958 1131139403 /nfs/dbraw/zinc/13/94/03/1131139403.db2.gz BBFVCCMUOORWAM-UHFFFAOYSA-N 0 1 299.296 3.580 20 0 CHADMN F[C@H]1CCN(Cc2cnc(C3CC3)s2)CCC1(F)F ZINC001237785858 1131141271 /nfs/dbraw/zinc/14/12/71/1131141271.db2.gz JOXPZBBFJFGALN-NSHDSACASA-N 0 1 290.354 3.590 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2c2ccccc2)ccc1F ZINC001237815957 1131142907 /nfs/dbraw/zinc/14/29/07/1131142907.db2.gz DRGSCZCIZUOXMW-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@@]1(F)CCCC[N@@H+](Cc2cccc(-c3ccccn3)n2)C1 ZINC001237830441 1131144418 /nfs/dbraw/zinc/14/44/18/1131144418.db2.gz ZPDUMXRXTMTZQB-GOSISDBHSA-N 0 1 299.393 3.858 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2cccc(-c3ccccn3)n2)C1 ZINC001237830441 1131144420 /nfs/dbraw/zinc/14/44/20/1131144420.db2.gz ZPDUMXRXTMTZQB-GOSISDBHSA-N 0 1 299.393 3.858 20 0 CHADMN COc1ccoc1CN1CCC[C@@H]1c1ccccc1 ZINC001237872386 1131147088 /nfs/dbraw/zinc/14/70/88/1131147088.db2.gz UOJAQHOOIJTXSV-CQSZACIVSA-N 0 1 257.333 3.625 20 0 CHADMN CC(C)c1cccc(NC(=O)CN2CC3CCC2CC3)c1 ZINC001116464087 1131148593 /nfs/dbraw/zinc/14/85/93/1131148593.db2.gz WPCQXMZGLYHJKQ-UHFFFAOYSA-N 0 1 286.419 3.623 20 0 CHADMN CN(Cc1ccccn1)Cc1ccccc1C1CCOCC1 ZINC001237900277 1131149059 /nfs/dbraw/zinc/14/90/59/1131149059.db2.gz VUZJCGDJATVJGB-UHFFFAOYSA-N 0 1 296.414 3.608 20 0 CHADMN CCCOc1cc(F)ccc1CN1CC[C@@H](OCCC)C1 ZINC001237905641 1131150000 /nfs/dbraw/zinc/15/00/00/1131150000.db2.gz QJKPGCDNNCTIEC-MRXNPFEDSA-N 0 1 295.398 3.615 20 0 CHADMN CCCOc1cc(F)ccc1CN1CCC[C@@H](CF)C1 ZINC001237904163 1131150699 /nfs/dbraw/zinc/15/06/99/1131150699.db2.gz GRJFYELSATWHGP-ZDUSSCGKSA-N 0 1 283.362 3.796 20 0 CHADMN CCOc1cc(F)cc(CN(C)Cc2ccccc2)c1 ZINC001237915061 1131151353 /nfs/dbraw/zinc/15/13/53/1131151353.db2.gz VLMHTUQFKZPAHI-UHFFFAOYSA-N 0 1 273.351 3.856 20 0 CHADMN C[C@H]1CN(Cc2cc(F)c(O)c(Cl)c2)CCC1(F)F ZINC001237982981 1131157989 /nfs/dbraw/zinc/15/79/89/1131157989.db2.gz BTHYTHBDLDODOD-QMMMGPOBSA-N 0 1 293.716 3.662 20 0 CHADMN CN(Cc1csc(-c2ccc(O)cc2)n1)CC1CCC1 ZINC001237979531 1131158525 /nfs/dbraw/zinc/15/85/25/1131158525.db2.gz ISYXCMFMUBUSKP-UHFFFAOYSA-N 0 1 288.416 3.748 20 0 CHADMN C[C@@H]1CCCN1Cc1csc(-c2ccc(O)cc2)n1 ZINC001237978728 1131158730 /nfs/dbraw/zinc/15/87/30/1131158730.db2.gz YWMXQXGTHSBFOC-LLVKDONJSA-N 0 1 274.389 3.500 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cc(F)c(O)c(Cl)c2)C1 ZINC001237985412 1131158775 /nfs/dbraw/zinc/15/87/75/1131158775.db2.gz XHTYKABYBSVJSC-CYBMUJFWSA-N 0 1 275.726 3.509 20 0 CHADMN C[C@@H]1CN(Cc2[nH]nc3cc(Cl)ccc32)CCC1(F)F ZINC001237993632 1131159192 /nfs/dbraw/zinc/15/91/92/1131159192.db2.gz PDGOWVRMNJQMBD-SECBINFHSA-N 0 1 299.752 3.693 20 0 CHADMN C[C@@H](NCc1ccc(F)nc1)c1ccc(Cl)c(F)c1 ZINC001116671095 1131159228 /nfs/dbraw/zinc/15/92/28/1131159228.db2.gz YGJMBCPVFSVOEE-SECBINFHSA-N 0 1 282.721 3.864 20 0 CHADMN C[C@H]1CN(Cc2[nH]nc3cc(Cl)ccc32)CCC1(F)F ZINC001237993635 1131160375 /nfs/dbraw/zinc/16/03/75/1131160375.db2.gz PDGOWVRMNJQMBD-VIFPVBQESA-N 0 1 299.752 3.693 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(F)c([O-])c(Cl)c2)C1 ZINC001237993529 1131160553 /nfs/dbraw/zinc/16/05/53/1131160553.db2.gz SDDKJALWWJWXCW-AOOOYVTPSA-N 0 1 271.763 3.663 20 0 CHADMN C[C@H]1CN(Cc2cnc(F)cc2Cl)CCC[C@@H]1C ZINC001238018646 1131162795 /nfs/dbraw/zinc/16/27/95/1131162795.db2.gz VERHOSWHHPGOAB-QWRGUYRKSA-N 0 1 270.779 3.742 20 0 CHADMN CCS[C@H]1CCCC[C@@H]1NCc1ncoc1C(C)C ZINC001116743794 1131162863 /nfs/dbraw/zinc/16/28/63/1131162863.db2.gz YPNTWIOIQLLLQT-JSGCOSHPSA-N 0 1 282.453 3.952 20 0 CHADMN Cc1nc(F)ccc1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001116841398 1131166132 /nfs/dbraw/zinc/16/61/32/1131166132.db2.gz IJPNCESURNRRKB-DZGCQCFKSA-N 0 1 262.372 3.541 20 0 CHADMN CCOc1cc(CN2CCC(F)(F)CC2)ccc1C ZINC001238071036 1131168250 /nfs/dbraw/zinc/16/82/50/1131168250.db2.gz UDOWKXNZQIJSAT-UHFFFAOYSA-N 0 1 269.335 3.625 20 0 CHADMN Cc1ccccc1C[N@H+](C)Cc1cc(O)ccc1C ZINC001238099245 1131170915 /nfs/dbraw/zinc/17/09/15/1131170915.db2.gz OEGLUGBAQXQUET-UHFFFAOYSA-N 0 1 255.361 3.641 20 0 CHADMN CN(Cc1ccccc1Cl)Cc1cccc2cncn21 ZINC001238113331 1131172753 /nfs/dbraw/zinc/17/27/53/1131172753.db2.gz JDENOUQCUGGZSP-UHFFFAOYSA-N 0 1 285.778 3.620 20 0 CHADMN Cc1ccc(O)cc1CN1CCSC[C@H]1c1ccccc1 ZINC001238107165 1131172871 /nfs/dbraw/zinc/17/28/71/1131172871.db2.gz QDUPPKNNHUBSDN-SFHVURJKSA-N 0 1 299.439 3.991 20 0 CHADMN C[C@]1(F)CCCN(Cc2cc(Cl)c(O)cc2F)C1 ZINC001238145792 1131174014 /nfs/dbraw/zinc/17/40/14/1131174014.db2.gz FSBHFQNJAZMYPW-ZDUSSCGKSA-N 0 1 275.726 3.509 20 0 CHADMN C[N@@H+](CCc1ccccc1)Cc1cc(Cl)c([O-])cc1F ZINC001238144920 1131174573 /nfs/dbraw/zinc/17/45/73/1131174573.db2.gz ZCVCNUHRAAUHHW-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN C[C@H]1CCCCC[N@H+]1Cc1cc(Cl)c([O-])cc1F ZINC001238146208 1131174716 /nfs/dbraw/zinc/17/47/16/1131174716.db2.gz FRXCANFKJSELMF-JTQLQIEISA-N 0 1 271.763 3.949 20 0 CHADMN C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c([O-])cc1F ZINC001238141905 1131174910 /nfs/dbraw/zinc/17/49/10/1131174910.db2.gz ARKSARJCCWVSBI-VIFPVBQESA-N 0 1 257.736 3.559 20 0 CHADMN C[C@H]1CCCC[N@H+]1Cc1cc(Cl)c([O-])cc1F ZINC001238141905 1131174914 /nfs/dbraw/zinc/17/49/14/1131174914.db2.gz ARKSARJCCWVSBI-VIFPVBQESA-N 0 1 257.736 3.559 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC001238134656 1131175206 /nfs/dbraw/zinc/17/52/06/1131175206.db2.gz JWGCJERTZWMCNH-AWEZNQCLSA-N 0 1 295.382 3.813 20 0 CHADMN Cc1cccc(CN(C)Cc2cncc(C3CC3)c2)c1 ZINC001238185753 1131177605 /nfs/dbraw/zinc/17/76/05/1131177605.db2.gz FQNQOUJJVMHKBY-UHFFFAOYSA-N 0 1 266.388 3.899 20 0 CHADMN c1cc(-c2cccc(CN3CCc4sccc4C3)c2)n[nH]1 ZINC001238197342 1131178887 /nfs/dbraw/zinc/17/88/87/1131178887.db2.gz BFFSXRTXDCMGDZ-UHFFFAOYSA-N 0 1 295.411 3.697 20 0 CHADMN O=C1CCC2(CC1)CCN(Cc1cncc(C3CC3)c1)CC2 ZINC001238194773 1131178916 /nfs/dbraw/zinc/17/89/16/1131178916.db2.gz SKYPKIZOEUKPIY-UHFFFAOYSA-N 0 1 298.430 3.684 20 0 CHADMN FC1CCN(Cc2cccc(-c3cccs3)n2)CC1 ZINC001238208900 1131180596 /nfs/dbraw/zinc/18/05/96/1131180596.db2.gz IWGKAHPGSADDFS-UHFFFAOYSA-N 0 1 276.380 3.744 20 0 CHADMN CC(C)c1cc(CN2CC[C@H](O)[C@@H](C)C2)ccc1Cl ZINC001238220960 1131183140 /nfs/dbraw/zinc/18/31/40/1131183140.db2.gz XEOQOOKOVSXJKO-LRDDRELGSA-N 0 1 281.827 3.666 20 0 CHADMN CC(C)c1cc(CN2CCN(C3CC3)CC2)ccc1Cl ZINC001238217767 1131183994 /nfs/dbraw/zinc/18/39/94/1131183994.db2.gz KWPBVKAUWXDVSI-UHFFFAOYSA-N 0 1 292.854 3.743 20 0 CHADMN c1csc(-c2cccc(CN3CCC[C@@H]4C[C@@H]43)n2)c1 ZINC001238218481 1131184108 /nfs/dbraw/zinc/18/41/08/1131184108.db2.gz XOXMCHBHRBVOBB-DOMZBBRYSA-N 0 1 270.401 3.794 20 0 CHADMN CCN(CC)Cc1ccc(F)c(C(F)(F)F)c1F ZINC001238247889 1131185984 /nfs/dbraw/zinc/18/59/84/1131185984.db2.gz ORXVSYINEWYBLM-UHFFFAOYSA-N 0 1 267.241 3.825 20 0 CHADMN Cc1cc(Cl)c(Cl)cc1CN1CCC[C@](C)(O)C1 ZINC001238258669 1131187011 /nfs/dbraw/zinc/18/70/11/1131187011.db2.gz IXYWKQYVXOVKDD-AWEZNQCLSA-N 0 1 288.218 3.649 20 0 CHADMN COc1c(Br)cc(C)cc1CN1CCC[C@@H]1C ZINC001238317981 1131189499 /nfs/dbraw/zinc/18/94/99/1131189499.db2.gz MXHYIWUJLAKUJR-NSHDSACASA-N 0 1 298.224 3.750 20 0 CHADMN COC[C@@H]1CCCCN1Cc1cccc(F)c1OC(C)C ZINC001238318517 1131190066 /nfs/dbraw/zinc/19/00/66/1131190066.db2.gz MQIRIBMDCGBZSX-HNNXBMFYSA-N 0 1 295.398 3.614 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CCCC12CC2 ZINC001238332067 1131190815 /nfs/dbraw/zinc/19/08/15/1131190815.db2.gz LMBVUESVEXYTTE-UHFFFAOYSA-N 0 1 263.356 3.741 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001238325916 1131191292 /nfs/dbraw/zinc/19/12/92/1131191292.db2.gz ZMYGMRVWCNVKDU-DOMZBBRYSA-N 0 1 263.356 3.597 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CC[C@@]2(CC2(F)F)C1 ZINC001238330860 1131191512 /nfs/dbraw/zinc/19/15/12/1131191512.db2.gz YFTAQNGQFLJEGZ-OAHLLOKOSA-N 0 1 299.336 3.844 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CCC[C@@H](CF)C1 ZINC001238330012 1131191794 /nfs/dbraw/zinc/19/17/94/1131191794.db2.gz UVMYPAARGVCOEK-ZDUSSCGKSA-N 0 1 283.362 3.794 20 0 CHADMN COc1cc(CN(C)C2CCCCC2)c(Cl)cn1 ZINC001238359421 1131192985 /nfs/dbraw/zinc/19/29/85/1131192985.db2.gz GOHNHWVTYSDCQD-UHFFFAOYSA-N 0 1 268.788 3.508 20 0 CHADMN CC(C)CN(C)Cc1ccnc(Br)c1Cl ZINC001238371036 1131193015 /nfs/dbraw/zinc/19/30/15/1131193015.db2.gz MQJXQMUZFFTTJI-UHFFFAOYSA-N 0 1 291.620 3.585 20 0 CHADMN COc1cc(CN2CCC3(CCCC3)C2)c(Cl)cn1 ZINC001238359354 1131193150 /nfs/dbraw/zinc/19/31/50/1131193150.db2.gz HNOYENJVGNURAY-UHFFFAOYSA-N 0 1 280.799 3.510 20 0 CHADMN COc1c(Cl)ccc(F)c1CN(CC1CC1)C1CC1 ZINC001238346938 1131193301 /nfs/dbraw/zinc/19/33/01/1131193301.db2.gz SBIBPWYEQQLIPN-UHFFFAOYSA-N 0 1 283.774 3.862 20 0 CHADMN Cc1cc(CN2CCC3(CC(F)C3)CC2)ncc1Cl ZINC001238420069 1131196939 /nfs/dbraw/zinc/19/69/39/1131196939.db2.gz SDPJQBQIYCVIFZ-UHFFFAOYSA-N 0 1 282.790 3.758 20 0 CHADMN Cc1cc(CN2CCCC3(CCC3)C2)ncc1Cl ZINC001238428631 1131199507 /nfs/dbraw/zinc/19/95/07/1131199507.db2.gz CMBAXZCWGLXFOE-UHFFFAOYSA-N 0 1 264.800 3.810 20 0 CHADMN CC(C)Oc1cccc(CN2CCC[C@H]3C[C@H]32)c1F ZINC001238430933 1131200068 /nfs/dbraw/zinc/20/00/68/1131200068.db2.gz SECRQPTURHLYAU-GXTWGEPZSA-N 0 1 263.356 3.597 20 0 CHADMN CCN(Cc1ccc(OC(C)C)cc1F)C1CC1 ZINC001238444993 1131201218 /nfs/dbraw/zinc/20/12/18/1131201218.db2.gz QYWZSLOBHVMALK-UHFFFAOYSA-N 0 1 251.345 3.597 20 0 CHADMN CCCO[C@H]1CCN(Cc2ccc(F)c(OC(C)C)c2)C1 ZINC001238457108 1131202883 /nfs/dbraw/zinc/20/28/83/1131202883.db2.gz BHAOFVBEMSKAAW-HNNXBMFYSA-N 0 1 295.398 3.614 20 0 CHADMN CC(C)Oc1cc(CN2CC[C@@]3(CC3(F)F)C2)ccc1F ZINC001238460084 1131203643 /nfs/dbraw/zinc/20/36/43/1131203643.db2.gz ILBMIJKSYSSGNY-OAHLLOKOSA-N 0 1 299.336 3.844 20 0 CHADMN Cc1cccc(CN(C)Cc2cncc(OC(C)C)c2)c1 ZINC001238461372 1131203651 /nfs/dbraw/zinc/20/36/51/1131203651.db2.gz HTLKQUCUQSKSLQ-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN Cc1ccc(OC(C)C)cc1CN1CCC[C@@H](F)C1 ZINC001238484652 1131208008 /nfs/dbraw/zinc/20/80/08/1131208008.db2.gz FZUAICABQWUYJW-OAHLLOKOSA-N 0 1 265.372 3.716 20 0 CHADMN CC(C)n1cncc1CNCc1cccc(C(F)F)c1 ZINC001118098637 1131210218 /nfs/dbraw/zinc/21/02/18/1131210218.db2.gz GHLYYATXBVPGTQ-UHFFFAOYSA-N 0 1 279.334 3.691 20 0 CHADMN Cc1c(Cl)ccc(CN2CCC[C@](C)(O)CC2)c1F ZINC001238512311 1131210442 /nfs/dbraw/zinc/21/04/42/1131210442.db2.gz MLCGURDCAYEDEE-HNNXBMFYSA-N 0 1 285.790 3.524 20 0 CHADMN Fc1ccc(CN2CC(c3cccnc3)C2)cc1C1CC1 ZINC001238512682 1131212192 /nfs/dbraw/zinc/21/21/92/1131212192.db2.gz VZLQOXQCVZCKEI-UHFFFAOYSA-N 0 1 282.362 3.698 20 0 CHADMN CC(C)Oc1ccc(-c2ccc(CN(C)C)cn2)cc1 ZINC001238538872 1131213953 /nfs/dbraw/zinc/21/39/53/1131213953.db2.gz XRPQQYCBDYDUFH-UHFFFAOYSA-N 0 1 270.376 3.597 20 0 CHADMN CCN(CC)Cc1c(C)cc(F)cc1Br ZINC001238567278 1131218220 /nfs/dbraw/zinc/21/82/20/1131218220.db2.gz QXBGANAMGUMVMN-UHFFFAOYSA-N 0 1 274.177 3.738 20 0 CHADMN Cc1cnc(-c2ccccc2)c(CN2CCC[C@@H](F)C2)c1 ZINC001238612669 1131220962 /nfs/dbraw/zinc/22/09/62/1131220962.db2.gz GGTGGGZLLOOFLO-QGZVFWFLSA-N 0 1 284.378 3.991 20 0 CHADMN CC(C)Oc1cc(CN2CCC23CCCC3)cnc1F ZINC001238605407 1131222128 /nfs/dbraw/zinc/22/21/28/1131222128.db2.gz JBQSOOCEJACZOZ-UHFFFAOYSA-N 0 1 278.371 3.526 20 0 CHADMN Clc1cccc2c1C[C@@H](N1CCc3cnccc3C1)CC2 ZINC001170916777 1131222396 /nfs/dbraw/zinc/22/23/96/1131222396.db2.gz DYEUZMJDIOUQGE-INIZCTEOSA-N 0 1 298.817 3.651 20 0 CHADMN CSCCN(C)Cc1cnc(-c2ccccc2)c(C)c1 ZINC001238618067 1131223683 /nfs/dbraw/zinc/22/36/83/1131223683.db2.gz MLCMPLBJOVNRLH-UHFFFAOYSA-N 0 1 286.444 3.852 20 0 CHADMN CCOc1cc(F)c(F)cc1CN1CCC[C@H]1CC ZINC001238652280 1131226801 /nfs/dbraw/zinc/22/68/01/1131226801.db2.gz DTFVMOKKXNJSIY-GFCCVEGCSA-N 0 1 269.335 3.738 20 0 CHADMN CSc1ccc(Cl)cc1CN1CC2(C1)CCOCC2 ZINC001238671732 1131229330 /nfs/dbraw/zinc/22/93/30/1131229330.db2.gz DROZCJWEMOUOKG-UHFFFAOYSA-N 0 1 297.851 3.674 20 0 CHADMN COC(=O)c1ccccc1CN(C)Cc1ccc(C)c(C)c1 ZINC001137791363 1131416669 /nfs/dbraw/zinc/41/66/69/1131416669.db2.gz ANCGFKPHUQCCAD-UHFFFAOYSA-N 0 1 297.398 3.722 20 0 CHADMN CN(CCc1ccccc1)Cc1cc(F)cc(F)c1F ZINC001137867302 1131426009 /nfs/dbraw/zinc/42/60/09/1131426009.db2.gz PZMSWDFMGQYJDP-UHFFFAOYSA-N 0 1 279.305 3.778 20 0 CHADMN C[C@@H](N(C)Cc1ccnc(Cl)c1F)C(C)(C)C ZINC000823404547 1131426364 /nfs/dbraw/zinc/42/63/64/1131426364.db2.gz SBNBTHLNBKYITB-SECBINFHSA-N 0 1 258.768 3.741 20 0 CHADMN CC[C@H](NCc1cc(F)ncc1F)c1ccc(C)cc1 ZINC000823590671 1131434985 /nfs/dbraw/zinc/43/49/85/1131434985.db2.gz BHELLKLJBIMZOX-HNNXBMFYSA-N 0 1 276.330 3.909 20 0 CHADMN Cn1nc(C2CC2)cc1CNCc1ccc(C(C)(C)C)cc1 ZINC000823737431 1131439016 /nfs/dbraw/zinc/43/90/16/1131439016.db2.gz YGXBPODGSSRITR-UHFFFAOYSA-N 0 1 297.446 3.885 20 0 CHADMN Cc1cnc(N[C@H]2CCc3ccc(O)cc3C2)c2[nH]ccc21 ZINC001171026631 1131440103 /nfs/dbraw/zinc/44/01/03/1131440103.db2.gz CBOVMXZYLBUFFI-AWEZNQCLSA-N 0 1 293.370 3.546 20 0 CHADMN C[C@H]1CCN1Cc1ccc(SC(F)(F)F)cc1 ZINC001137953445 1131440602 /nfs/dbraw/zinc/44/06/02/1131440602.db2.gz YUTKDZNKZUVTSY-VIFPVBQESA-N 0 1 261.312 3.893 20 0 CHADMN COc1nccc(CN[C@@H](C)c2csc3ccccc23)n1 ZINC000823790001 1131443441 /nfs/dbraw/zinc/44/34/41/1131443441.db2.gz USXQVAKNCOUVMI-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN COCC[C@H]1CCCCN1Cc1ccc(C)c(F)c1F ZINC001137968571 1131444133 /nfs/dbraw/zinc/44/41/33/1131444133.db2.gz KNMNPRFBZMDMNT-CQSZACIVSA-N 0 1 283.362 3.664 20 0 CHADMN CC[C@](C)(NCc1ccncc1F)c1ccccc1 ZINC000823887853 1131446961 /nfs/dbraw/zinc/44/69/61/1131446961.db2.gz TVFVXJOIMIGJQB-INIZCTEOSA-N 0 1 258.340 3.636 20 0 CHADMN C[C@@H]1CC[C@H](NC(=O)c2ccc(Cl)c(O)c2)[C@H](C)C1 ZINC001136800027 1131446989 /nfs/dbraw/zinc/44/69/89/1131446989.db2.gz KIYZKWKQQMMFSI-BREBYQMCSA-N 0 1 281.783 3.600 20 0 CHADMN Cc1cc(Cl)cc(C)c1NC(=O)c1cc(C(F)F)n[nH]1 ZINC001137995607 1131447716 /nfs/dbraw/zinc/44/77/16/1131447716.db2.gz KJBGQKDIRBFGQH-UHFFFAOYSA-N 0 1 299.708 3.870 20 0 CHADMN COc1ccc(F)c(CN2CCC3(CC[C@H](F)C3)CC2)c1 ZINC001137997589 1131448176 /nfs/dbraw/zinc/44/81/76/1131448176.db2.gz RJKACZZILYXQSV-AWEZNQCLSA-N 0 1 295.373 3.939 20 0 CHADMN C[C@@H](C(=O)Nc1cccc2c1CN(C1CC1)C2)C1CCC1 ZINC001137992594 1131448261 /nfs/dbraw/zinc/44/82/61/1131448261.db2.gz CPEYEHOLEZNXON-GFCCVEGCSA-N 0 1 284.403 3.539 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccc(N)c1C ZINC001160310783 1131453951 /nfs/dbraw/zinc/45/39/51/1131453951.db2.gz ZROHYPAMGSEWNV-UHFFFAOYSA-N 0 1 279.343 3.878 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@H]2C(C)(C)O)c1Cl ZINC001138029210 1131454724 /nfs/dbraw/zinc/45/47/24/1131454724.db2.gz KGFYQRXSHPTYTP-ZDUSSCGKSA-N 0 1 285.790 3.523 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC[C@](C)(CO)CC2)c1F ZINC001138030524 1131455296 /nfs/dbraw/zinc/45/52/96/1131455296.db2.gz JDYHLGJEIDSTST-INIZCTEOSA-N 0 1 299.817 3.772 20 0 CHADMN Cc1ccc(Cl)c(CN2CC[C@]3(C2)CCCOC3)c1F ZINC001138035133 1131455902 /nfs/dbraw/zinc/45/59/02/1131455902.db2.gz IZOKNJDMGZNPQV-INIZCTEOSA-N 0 1 297.801 3.790 20 0 CHADMN Cc1oc2ccccc2c1CNCc1cc(C2CC2)nn1C ZINC000824180482 1131457125 /nfs/dbraw/zinc/45/71/25/1131457125.db2.gz BMYCIFGZKCOLEX-UHFFFAOYSA-N 0 1 295.386 3.642 20 0 CHADMN CC(=O)Oc1cccc(CN2CC[C@H]2c2ccccc2)c1 ZINC001138043793 1131457645 /nfs/dbraw/zinc/45/76/45/1131457645.db2.gz GZRDCJRZJXYZLV-SFHVURJKSA-N 0 1 281.355 3.559 20 0 CHADMN Cc1cc2c(cn1)CN([C@@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171051877 1131461444 /nfs/dbraw/zinc/46/14/44/1131461444.db2.gz XLLYFSZUOXKBDF-MRXNPFEDSA-N 0 1 298.817 3.917 20 0 CHADMN C[C@H]1CCCN1Cc1cc(F)ccc1C(F)(F)F ZINC001138086660 1131463267 /nfs/dbraw/zinc/46/32/67/1131463267.db2.gz IUUNBUVXXQIYRD-VIFPVBQESA-N 0 1 261.262 3.829 20 0 CHADMN Clc1cccc2[nH]c(CN3CCC[C@@]34CCOC4)cc21 ZINC001136863753 1131465347 /nfs/dbraw/zinc/46/53/47/1131465347.db2.gz PNJQVWBQMJUFGS-INIZCTEOSA-N 0 1 290.794 3.576 20 0 CHADMN c1coc(C[N@@H+](Cc2ccc3ncccc3c2)C2CC2)c1 ZINC001138112359 1131466688 /nfs/dbraw/zinc/46/66/88/1131466688.db2.gz FGBQCGOKACZTJB-UHFFFAOYSA-N 0 1 278.355 3.992 20 0 CHADMN c1coc(CN(Cc2ccc3ncccc3c2)C2CC2)c1 ZINC001138112359 1131466690 /nfs/dbraw/zinc/46/66/90/1131466690.db2.gz FGBQCGOKACZTJB-UHFFFAOYSA-N 0 1 278.355 3.992 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@@H](F)CC2)c1F ZINC001138114892 1131468050 /nfs/dbraw/zinc/46/80/50/1131468050.db2.gz PBMIQXAMIBNOGZ-LLVKDONJSA-N 0 1 257.299 3.597 20 0 CHADMN Cc1ccc(F)c(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1F ZINC001138116122 1131468069 /nfs/dbraw/zinc/46/80/69/1131468069.db2.gz YACICHOCOLUZKF-PWSUYJOCSA-N 0 1 287.300 3.750 20 0 CHADMN Cc1ccc(F)c(CN2C[C@H]3[C@H](CCC3(F)F)C2)c1F ZINC001138116122 1131468070 /nfs/dbraw/zinc/46/80/70/1131468070.db2.gz YACICHOCOLUZKF-PWSUYJOCSA-N 0 1 287.300 3.750 20 0 CHADMN CC(=O)c1ccc([C@H](C)Nc2cccn3cncc23)cc1 ZINC001171055462 1131468179 /nfs/dbraw/zinc/46/81/79/1131468179.db2.gz HJKVEJBMUTUFJN-LBPRGKRZSA-N 0 1 279.343 3.710 20 0 CHADMN Cc1ccc(F)c(CN2CCC3(CCCOC3)CC2)c1F ZINC001138121052 1131468529 /nfs/dbraw/zinc/46/85/29/1131468529.db2.gz UYNNILGTYLBCFZ-UHFFFAOYSA-N 0 1 295.373 3.666 20 0 CHADMN C[C@@H]1CN(C[C@@]2(C)CC2(Cl)Cl)CC2(CCCC2)O1 ZINC000830858905 1131471299 /nfs/dbraw/zinc/47/12/99/1131471299.db2.gz CEXQYLRHXWJIGL-VXGBXAGGSA-N 0 1 292.250 3.604 20 0 CHADMN Clc1cc(Cl)c2c(c1)CC[C@H](NCc1ccon1)C2 ZINC001171059060 1131474784 /nfs/dbraw/zinc/47/47/84/1131474784.db2.gz NOKKKMZOEQLLPQ-NSHDSACASA-N 0 1 297.185 3.629 20 0 CHADMN CC(C)c1nn(C)c(Cl)c1CNCC1=CCCCC1 ZINC000824538179 1131475494 /nfs/dbraw/zinc/47/54/94/1131475494.db2.gz MYOCFYFGMLHQSI-UHFFFAOYSA-N 0 1 281.831 3.787 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)O[C@@H](C)CC(C)C)n[nH]1 ZINC000831260749 1131481727 /nfs/dbraw/zinc/48/17/27/1131481727.db2.gz VNBZMRXPRQOBLS-SDDRHHMPSA-N 0 1 296.415 3.540 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cccc(OC(C)(C)C)n2)C2(CC2)C1 ZINC001138285139 1131485832 /nfs/dbraw/zinc/48/58/32/1131485832.db2.gz UUVSUOUQXKTXNO-CYBMUJFWSA-N 0 1 274.408 3.633 20 0 CHADMN Cc1ccc2c(CN3CC[C@@](C)(F)[C@H](F)C3)c[nH]c2c1 ZINC001136969217 1131488198 /nfs/dbraw/zinc/48/81/98/1131488198.db2.gz IJRDEEYENJINMR-HZPDHXFCSA-N 0 1 278.346 3.748 20 0 CHADMN CCN(Cc1ccccc1F)Cc1cccc2nccnc12 ZINC001138306439 1131488355 /nfs/dbraw/zinc/48/83/55/1131488355.db2.gz SOTOLLBIMHQPBQ-UHFFFAOYSA-N 0 1 295.361 3.791 20 0 CHADMN Cc1ccc2c(CN3CCC(=O)[C@@H]4CCCC[C@@H]43)c[nH]c2c1 ZINC001136969337 1131488412 /nfs/dbraw/zinc/48/84/12/1131488412.db2.gz MDMUHKYPLWPJIY-AEFFLSMTSA-N 0 1 296.414 3.810 20 0 CHADMN Cc1cc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)cc(Cl)n1 ZINC000824942400 1131490278 /nfs/dbraw/zinc/49/02/78/1131490278.db2.gz ZDAXYORUBWEYIW-HOCLYGCPSA-N 0 1 276.811 3.664 20 0 CHADMN CCC(F)(F)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000824982937 1131492772 /nfs/dbraw/zinc/49/27/72/1131492772.db2.gz FJCOBJOVGGVJLE-UHFFFAOYSA-N 0 1 293.317 3.814 20 0 CHADMN CC(C)(C)c1ccc(CN2CCOC[C@H]2C2CC2)cc1 ZINC001204399672 1131493894 /nfs/dbraw/zinc/49/38/94/1131493894.db2.gz SVTQSJCTEHJHKP-KRWDZBQOSA-N 0 1 273.420 3.595 20 0 CHADMN CCc1cccc2c(CN3CCc4ccncc4C3)c[nH]c21 ZINC001138362291 1131494685 /nfs/dbraw/zinc/49/46/85/1131494685.db2.gz WHPVHLIOUBFVMW-UHFFFAOYSA-N 0 1 291.398 3.684 20 0 CHADMN CCc1nc(CN[C@H](C)Cc2ccc(Cl)cc2)co1 ZINC000825055988 1131495954 /nfs/dbraw/zinc/49/59/54/1131495954.db2.gz CUIKZAGSEQFAOJ-LLVKDONJSA-N 0 1 278.783 3.611 20 0 CHADMN CCc1nc(CNCC[C@@H](C)c2ccccc2)co1 ZINC000825062004 1131496947 /nfs/dbraw/zinc/49/69/47/1131496947.db2.gz NBQKAQKMPQGMHB-CYBMUJFWSA-N 0 1 258.365 3.520 20 0 CHADMN Cc1c2ccccc2[nH]c1CN1CCC[C@@](C)(F)C1 ZINC001138397409 1131498790 /nfs/dbraw/zinc/49/87/90/1131498790.db2.gz QWMVLMVFLRYJJN-MRXNPFEDSA-N 0 1 260.356 3.800 20 0 CHADMN FC(F)(F)c1cccc(C2CN(C[C@H]3CCC=CO3)C2)c1 ZINC000825124292 1131499842 /nfs/dbraw/zinc/49/98/42/1131499842.db2.gz MELKINWTDJFGOZ-OAHLLOKOSA-N 0 1 297.320 3.797 20 0 CHADMN COc1c(F)cc(CN2[C@H](C)CCC[C@H]2C)cc1F ZINC001138420703 1131502954 /nfs/dbraw/zinc/50/29/54/1131502954.db2.gz PUVNNHZJHJOLSM-GHMZBOCLSA-N 0 1 269.335 3.736 20 0 CHADMN COc1c(F)cc(CN2CCC(C(C)C)CC2)cc1F ZINC001138424870 1131503966 /nfs/dbraw/zinc/50/39/66/1131503966.db2.gz FYKZDHKUYBYAHW-UHFFFAOYSA-N 0 1 283.362 3.841 20 0 CHADMN CCOc1ccc2ccccc2c1CN1C[C@@H](C)O[C@@H](C)C1 ZINC001138440095 1131506611 /nfs/dbraw/zinc/50/66/11/1131506611.db2.gz OTPKLUIXVKTAPO-GASCZTMLSA-N 0 1 299.414 3.848 20 0 CHADMN COc1ccc(CN2CCC23CCCC3)cc1Cl ZINC001138470086 1131509136 /nfs/dbraw/zinc/50/91/36/1131509136.db2.gz NJHLZXBXXKLIAD-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN COc1ccc(F)c(CN2C[C@@H](C)C[C@H](C)C2)c1Cl ZINC001143371327 1131518271 /nfs/dbraw/zinc/51/82/71/1131518271.db2.gz OFWLMKSWCQWAAY-QWRGUYRKSA-N 0 1 285.790 3.966 20 0 CHADMN COc1ccc(CN2CCCC23CC3)cc1C(F)(F)F ZINC001143628358 1131519178 /nfs/dbraw/zinc/51/91/78/1131519178.db2.gz HIYHHOBRFGWXLH-UHFFFAOYSA-N 0 1 285.309 3.842 20 0 CHADMN CC(C)c1cc([C@@H]2CCCN(C(=O)CC(C)(C)C)C2)n[nH]1 ZINC000831917844 1131520231 /nfs/dbraw/zinc/52/02/31/1131520231.db2.gz FOGMOZHXRLUKKO-CYBMUJFWSA-N 0 1 291.439 3.675 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]c2ccccc21 ZINC001143641557 1131520679 /nfs/dbraw/zinc/52/06/79/1131520679.db2.gz NUUHPCRIXWEBCH-ZFWWWQNUSA-N 0 1 299.418 3.898 20 0 CHADMN c1cc(-c2nc(CN3CCCCCCCC3)no2)cs1 ZINC000831926926 1131521522 /nfs/dbraw/zinc/52/15/22/1131521522.db2.gz ZGQVKGPNKLNEGM-UHFFFAOYSA-N 0 1 291.420 3.954 20 0 CHADMN Cc1cc(CN(C)Cc2cccc3c2OCO3)c(C)s1 ZINC001138569267 1131522712 /nfs/dbraw/zinc/52/27/12/1131522712.db2.gz FFKZPMKWYGHNPD-UHFFFAOYSA-N 0 1 289.400 3.726 20 0 CHADMN Cc1ccc(C(F)(F)F)c(CN2CCC[C@@]3(CCO3)C2)c1 ZINC001143681135 1131523597 /nfs/dbraw/zinc/52/35/97/1131523597.db2.gz RZQUIVSGDJVACU-OAHLLOKOSA-N 0 1 299.336 3.769 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1c[nH]nc1C(C)(C)C)CC2 ZINC001138575643 1131523984 /nfs/dbraw/zinc/52/39/84/1131523984.db2.gz WKAWIAFYUYPTJM-UHFFFAOYSA-N 0 1 283.419 3.574 20 0 CHADMN FC(F)(F)c1ccc(CN2C[C@@H]3C[C@@H]3C2)c(Cl)c1 ZINC001143709798 1131526816 /nfs/dbraw/zinc/52/68/16/1131526816.db2.gz JGEBJZFTYSHIBA-AOOOYVTPSA-N 0 1 275.701 3.811 20 0 CHADMN CCCn1ncc(CN(C)Cc2ccc(Cl)cc2)c1C ZINC001138639916 1131530512 /nfs/dbraw/zinc/53/05/12/1131530512.db2.gz YXZBDGJWPAMZQX-UHFFFAOYSA-N 0 1 291.826 3.887 20 0 CHADMN Cc1c(F)cc(F)cc1CN1CCC(C(F)F)CC1 ZINC001143767752 1131530635 /nfs/dbraw/zinc/53/06/35/1131530635.db2.gz KZEVHWMVBNTOOV-UHFFFAOYSA-N 0 1 275.289 3.750 20 0 CHADMN Cc1c(F)cc(F)cc1CN1CCC(C)(F)CC1 ZINC001143757646 1131531433 /nfs/dbraw/zinc/53/14/33/1131531433.db2.gz IFTULSJELPBOBO-UHFFFAOYSA-N 0 1 257.299 3.597 20 0 CHADMN CCN(Cc1ccncc1)Cc1cc(F)cc(F)c1C ZINC001143757760 1131532073 /nfs/dbraw/zinc/53/20/73/1131532073.db2.gz MFIFZOHRBRFSRV-UHFFFAOYSA-N 0 1 276.330 3.690 20 0 CHADMN CSCCN(C)Cc1c(Cl)[nH]c2ccccc21 ZINC001138689980 1131537801 /nfs/dbraw/zinc/53/78/01/1131537801.db2.gz XTKNPCHYSLQEEF-UHFFFAOYSA-N 0 1 268.813 3.616 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](C)Cc1cnc(SC)nc1 ZINC001138709890 1131539398 /nfs/dbraw/zinc/53/93/98/1131539398.db2.gz STTOFRWRGTXBOO-OAHLLOKOSA-N 0 1 287.432 3.782 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1cnc(SC)nc1 ZINC001138709890 1131539400 /nfs/dbraw/zinc/53/94/00/1131539400.db2.gz STTOFRWRGTXBOO-OAHLLOKOSA-N 0 1 287.432 3.782 20 0 CHADMN CC[C@H](O)c1cccc(-c2ccc(CN(C)C)c(F)c2)c1 ZINC000844229929 1131539900 /nfs/dbraw/zinc/53/99/00/1131539900.db2.gz TWOQVWNYGOEZRV-SFHVURJKSA-N 0 1 287.378 3.998 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1ccc3c(c1)CCCO3)C2 ZINC001138717484 1131539933 /nfs/dbraw/zinc/53/99/33/1131539933.db2.gz RCFTXYOKBUIOGF-UHFFFAOYSA-N 0 1 293.410 3.878 20 0 CHADMN Cc1cccc(Cl)c1C[N@@H+](C)CCc1cccnc1 ZINC001138719912 1131541325 /nfs/dbraw/zinc/54/13/25/1131541325.db2.gz IKBKETVLRKMNPG-UHFFFAOYSA-N 0 1 274.795 3.718 20 0 CHADMN COc1cc(C)c(CN2CCn3cccc3[C@@H]2C)c(C)c1C ZINC001138724538 1131542718 /nfs/dbraw/zinc/54/27/18/1131542718.db2.gz HUHQCUIRTRVVEY-INIZCTEOSA-N 0 1 298.430 3.999 20 0 CHADMN COc1cc(Cl)cc(CN2C[C@@H](C)CC23CC3)c1OC ZINC001138749941 1131546613 /nfs/dbraw/zinc/54/66/13/1131546613.db2.gz OEMZVOHVQITLLV-NSHDSACASA-N 0 1 295.810 3.732 20 0 CHADMN CC(C)Oc1ccnc(CN2CC[C@@H]2Cc2ccccc2)c1 ZINC000844307034 1131548060 /nfs/dbraw/zinc/54/80/60/1131548060.db2.gz NFAKPPASAAZTFZ-GOSISDBHSA-N 0 1 296.414 3.686 20 0 CHADMN c1nn(Cc2ccccc2)cc1CN1CC2(C1)CCCCC2 ZINC001138767575 1131549002 /nfs/dbraw/zinc/54/90/02/1131549002.db2.gz YINCCHSEKJPIQT-UHFFFAOYSA-N 0 1 295.430 3.698 20 0 CHADMN COc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)c(F)c1F ZINC001143915114 1131554283 /nfs/dbraw/zinc/55/42/83/1131554283.db2.gz VBJXAMCWZQXTLK-AAEUAGOBSA-N 0 1 281.346 3.738 20 0 CHADMN CCC(=O)CCN1CCc2oc(-c3ccccc3)cc2C1 ZINC000844363981 1131555474 /nfs/dbraw/zinc/55/54/74/1131555474.db2.gz MGSHOCPEHLHEJO-UHFFFAOYSA-N 0 1 283.371 3.674 20 0 CHADMN CCCCN(CCC)Cc1cc(F)cnc1Cl ZINC001138891661 1131558075 /nfs/dbraw/zinc/55/80/75/1131558075.db2.gz AFWNKRFBGBSERE-UHFFFAOYSA-N 0 1 258.768 3.886 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(Br)o2)C[C@H]1C ZINC001138903609 1131559442 /nfs/dbraw/zinc/55/94/42/1131559442.db2.gz DHPQTRVGYHCLMZ-GHMZBOCLSA-N 0 1 286.213 3.910 20 0 CHADMN CCCCCN(C)Cc1cnc2[nH]ccc2c1Cl ZINC001138930078 1131561231 /nfs/dbraw/zinc/56/12/31/1131561231.db2.gz VTFHDKYKVCAUHC-UHFFFAOYSA-N 0 1 265.788 3.790 20 0 CHADMN CN(Cc1ccccc1)Cc1c2cc[nH]c2ncc1Cl ZINC001138946307 1131562675 /nfs/dbraw/zinc/56/26/75/1131562675.db2.gz DCQBUWGQBCNSQL-UHFFFAOYSA-N 0 1 285.778 3.800 20 0 CHADMN CCCCOc1cccc(CN2CCC(C(C)=O)CC2)c1 ZINC001138957102 1131565500 /nfs/dbraw/zinc/56/55/00/1131565500.db2.gz ZAXUQXRFZFZHMX-UHFFFAOYSA-N 0 1 289.419 3.667 20 0 CHADMN CC(C)Oc1ccc(Cl)cc1CN(C)[C@@H]1CCCOC1 ZINC001138962202 1131565875 /nfs/dbraw/zinc/56/58/75/1131565875.db2.gz JMULXSUVGDKQOG-OAHLLOKOSA-N 0 1 297.826 3.738 20 0 CHADMN CC(C)COc1ccc(CN2CC[C@@H](C)[C@H](F)C2)cc1 ZINC001138968859 1131566307 /nfs/dbraw/zinc/56/63/07/1131566307.db2.gz JFSHJPVSJCEXEA-RHSMWYFYSA-N 0 1 279.399 3.901 20 0 CHADMN CC[C@@H]1CCCCN1Cc1c(F)ccc(OC)c1F ZINC001143980562 1131566648 /nfs/dbraw/zinc/56/66/48/1131566648.db2.gz OWGPLKOCYATZMS-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN CCCOc1ccccc1CN1CCC(F)(F)[C@@H](C)C1 ZINC001138994935 1131570143 /nfs/dbraw/zinc/57/01/43/1131570143.db2.gz CIEJBGXJDZFGFN-ZDUSSCGKSA-N 0 1 283.362 3.953 20 0 CHADMN CCCOc1ccccc1CN1CC2(C1)CCCC2 ZINC001138995845 1131570276 /nfs/dbraw/zinc/57/02/76/1131570276.db2.gz WLVJMHZXWVMMPQ-UHFFFAOYSA-N 0 1 259.393 3.851 20 0 CHADMN CCCOc1ccccc1CN1C[C@@H](C)C[C@H]1CF ZINC001138995110 1131570322 /nfs/dbraw/zinc/57/03/22/1131570322.db2.gz GEQIUEZSLRHGJY-ZFWWWQNUSA-N 0 1 265.372 3.655 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CCCC12CC2 ZINC001139006510 1131571068 /nfs/dbraw/zinc/57/10/68/1131571068.db2.gz VKGXYAZZBXDNPE-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN CCOc1c(F)cc(C[N@H+]2CCC[C@H](C)CC2)cc1F ZINC001144023406 1131573460 /nfs/dbraw/zinc/57/34/60/1131573460.db2.gz UKVOTVDYOYZCRO-LBPRGKRZSA-N 0 1 283.362 3.986 20 0 CHADMN CCOc1c(F)cc(CN2CCC[C@H](C)CC2)cc1F ZINC001144023406 1131573463 /nfs/dbraw/zinc/57/34/63/1131573463.db2.gz UKVOTVDYOYZCRO-LBPRGKRZSA-N 0 1 283.362 3.986 20 0 CHADMN CCCC[C@H](CC)CC(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC001144024696 1131573813 /nfs/dbraw/zinc/57/38/13/1131573813.db2.gz NETRVUMOWNFQRM-HOTGVXAUSA-N 0 1 296.499 3.782 20 0 CHADMN CCCC[C@H](CC)CC(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC001144024696 1131573817 /nfs/dbraw/zinc/57/38/17/1131573817.db2.gz NETRVUMOWNFQRM-HOTGVXAUSA-N 0 1 296.499 3.782 20 0 CHADMN F[C@@]1(c2ccccc2)C[C@H]1NCc1cccc2[nH]ccc21 ZINC001202900723 1131585681 /nfs/dbraw/zinc/58/56/81/1131585681.db2.gz BVDHFYZUFCMCAQ-QZTJIDSGSA-N 0 1 280.346 3.895 20 0 CHADMN CCc1cc(CN(C)Cc2ccccn2)cc(CC)c1O ZINC001144138510 1131589525 /nfs/dbraw/zinc/58/95/25/1131589525.db2.gz XFUSPZSHPKBVJT-UHFFFAOYSA-N 0 1 284.403 3.544 20 0 CHADMN F[C@@H]1CCCCN(Cc2ccc3cccnc3c2)C1 ZINC001139166617 1131589973 /nfs/dbraw/zinc/58/99/73/1131589973.db2.gz PMQYEYGUWVWRPZ-OAHLLOKOSA-N 0 1 258.340 3.559 20 0 CHADMN CCc1cc(CN2CC[C@@H](C)[C@H](F)C2)cc(CC)c1O ZINC001144137686 1131590137 /nfs/dbraw/zinc/59/01/37/1131590137.db2.gz LLYYHKIBQDTJLX-MLGOLLRUSA-N 0 1 279.399 3.697 20 0 CHADMN Cc1nc2c(s1)CN(Cc1ccc3cccnc3c1)CC2 ZINC001139169116 1131591329 /nfs/dbraw/zinc/59/13/29/1131591329.db2.gz HBDRAPHRRVFFRB-UHFFFAOYSA-N 0 1 295.411 3.558 20 0 CHADMN Cn1ccc2ccc(CN3CCOc4ccccc4C3)cc21 ZINC001139203993 1131596247 /nfs/dbraw/zinc/59/62/47/1131596247.db2.gz FAPGAULJOVDHKX-UHFFFAOYSA-N 0 1 292.382 3.573 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2ccc3cc[nH]c3n2)cn1 ZINC001144186104 1131597489 /nfs/dbraw/zinc/59/74/89/1131597489.db2.gz PSQXYUYSDCVKHX-KRWDZBQOSA-N 0 1 292.386 3.603 20 0 CHADMN F[C@@H]1CN(Cc2ccc(Oc3ccccc3)nc2)C[C@@H]2C[C@@H]21 ZINC001139242843 1131598661 /nfs/dbraw/zinc/59/86/61/1131598661.db2.gz OTQWHBWSSVZNBR-BHYGNILZSA-N 0 1 298.361 3.664 20 0 CHADMN CN(Cc1ccc2ccccc2c1)Cc1ccc(O)cn1 ZINC001144263235 1131609351 /nfs/dbraw/zinc/60/93/51/1131609351.db2.gz PSHYIJNHCPDGQJ-UHFFFAOYSA-N 0 1 278.355 3.572 20 0 CHADMN O=c1ccc(CN2CCC[C@@H]2c2ccc(Cl)cc2)c[nH]1 ZINC001139468588 1131609943 /nfs/dbraw/zinc/60/99/43/1131609943.db2.gz JXXNJOROGGDUGR-OAHLLOKOSA-N 0 1 288.778 3.778 20 0 CHADMN O=c1ccc(CN2CCC[C@H]2c2ccc(Cl)s2)c[nH]1 ZINC001139468842 1131610023 /nfs/dbraw/zinc/61/00/23/1131610023.db2.gz WURQVHZUAIJWLJ-NSHDSACASA-N 0 1 294.807 3.839 20 0 CHADMN CC1(C)CN(Cc2ccc(-c3ccsc3)nc2)C1 ZINC001139500901 1131611357 /nfs/dbraw/zinc/61/13/57/1131611357.db2.gz FAKSQKRFBHJBPQ-UHFFFAOYSA-N 0 1 258.390 3.652 20 0 CHADMN Cc1cccc2c1CN(Cc1cnc(-c3ccccc3)[nH]1)C2 ZINC001139553260 1131615785 /nfs/dbraw/zinc/61/57/85/1131615785.db2.gz RKTMWBILRYLLAU-UHFFFAOYSA-N 0 1 289.382 3.901 20 0 CHADMN CC(C)N(Cc1cn2c(cccc2F)n1)Cc1ccccc1 ZINC001139567042 1131617082 /nfs/dbraw/zinc/61/70/82/1131617082.db2.gz ZADJXUKMVWHEQP-UHFFFAOYSA-N 0 1 297.377 3.884 20 0 CHADMN Fc1cccc2nc(CN3CCC[C@@H]4CCCC[C@H]43)cn21 ZINC001139570583 1131618045 /nfs/dbraw/zinc/61/80/45/1131618045.db2.gz XWMZIMIWUYJTDA-DZGCQCFKSA-N 0 1 287.382 3.628 20 0 CHADMN Cc1cnc(Cl)c(CN2CCC[C@@H](C)[C@H]2C)c1 ZINC001139589902 1131618361 /nfs/dbraw/zinc/61/83/61/1131618361.db2.gz KLIKFZOZCMBPBH-VXGBXAGGSA-N 0 1 252.789 3.664 20 0 CHADMN CCc1cccc(CN(C)Cc2cccc3c2OCO3)c1 ZINC001144329354 1131618404 /nfs/dbraw/zinc/61/84/04/1131618404.db2.gz WNASKXYEILLOQR-UHFFFAOYSA-N 0 1 283.371 3.610 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H]3C[C@@H]32)cc1Cl ZINC001139597586 1131620747 /nfs/dbraw/zinc/62/07/47/1131620747.db2.gz DYQWJVHUOLKDDR-OCCSQVGLSA-N 0 1 265.784 3.723 20 0 CHADMN CCOc1ccc(CN(C)Cc2cccc(O)c2)cc1CC ZINC001139618938 1131623461 /nfs/dbraw/zinc/62/34/61/1131623461.db2.gz RHZXUYHQXVCLAT-UHFFFAOYSA-N 0 1 299.414 3.985 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccncc2)cc1CC ZINC001139618654 1131623886 /nfs/dbraw/zinc/62/38/86/1131623886.db2.gz FOYKNOYSLMFYTR-UHFFFAOYSA-N 0 1 284.403 3.675 20 0 CHADMN CCOc1ccc(CN2CC3(CCC3)C2)cc1CC ZINC001139618928 1131623936 /nfs/dbraw/zinc/62/39/36/1131623936.db2.gz QZMSSVQTPQKUJR-UHFFFAOYSA-N 0 1 259.393 3.634 20 0 CHADMN F[C@@H]1C[N@@H+](Cc2ccc(-c3cccnc3)cc2)C[C@@H]2C[C@@H]21 ZINC001139641867 1131625668 /nfs/dbraw/zinc/62/56/68/1131625668.db2.gz HZYFVRFUTWDDND-OKZBNKHCSA-N 0 1 282.362 3.538 20 0 CHADMN F[C@@H]1CN(Cc2ccc(-c3cccnc3)cc2)C[C@@H]2C[C@@H]21 ZINC001139641867 1131625671 /nfs/dbraw/zinc/62/56/71/1131625671.db2.gz HZYFVRFUTWDDND-OKZBNKHCSA-N 0 1 282.362 3.538 20 0 CHADMN C[C@@H]1CN(Cc2ccc(-c3cccnc3)cc2)CCCC1=O ZINC001139639951 1131626168 /nfs/dbraw/zinc/62/61/68/1131626168.db2.gz MEXBLBHLMSKLTG-OAHLLOKOSA-N 0 1 294.398 3.550 20 0 CHADMN Cc1nc2cc(C)ccn2c1CN(C)Cc1cccs1 ZINC001139681529 1131628119 /nfs/dbraw/zinc/62/81/19/1131628119.db2.gz YZSVKTUEHMRSMY-UHFFFAOYSA-N 0 1 285.416 3.645 20 0 CHADMN COc1ncc(CN2CCC[C@H]2c2ccc(C)cc2)s1 ZINC001139817303 1131638536 /nfs/dbraw/zinc/63/85/36/1131638536.db2.gz HMQPQVMAVKMQJP-HNNXBMFYSA-N 0 1 288.416 3.797 20 0 CHADMN Cc1ccc(CN2CCC[C@H](Oc3ccccc3C)C2)nc1 ZINC001139838771 1131640344 /nfs/dbraw/zinc/64/03/44/1131640344.db2.gz RFDUYPDWOIHSMO-SFHVURJKSA-N 0 1 296.414 3.742 20 0 CHADMN COc1ccc(CN(C)Cc2cc3ccccc3n2C)cc1 ZINC001139868017 1131642230 /nfs/dbraw/zinc/64/22/30/1131642230.db2.gz ZCYFXGJEAIWPLL-UHFFFAOYSA-N 0 1 294.398 3.819 20 0 CHADMN CCC1CCN(Cc2cc(Cl)cc(OC)c2)CC1 ZINC001144480742 1131642823 /nfs/dbraw/zinc/64/28/23/1131642823.db2.gz FRBVNMMBQARFRL-UHFFFAOYSA-N 0 1 267.800 3.971 20 0 CHADMN Cn1c(CN2CCC[C@H](C(F)(F)F)C2)cc2ccccc21 ZINC001139870096 1131643174 /nfs/dbraw/zinc/64/31/74/1131643174.db2.gz DLISYSMLZGXQCK-ZDUSSCGKSA-N 0 1 296.336 3.953 20 0 CHADMN Cn1c(CN2CC[C@H](C(F)(F)F)C2)cc2ccccc21 ZINC001139871807 1131643385 /nfs/dbraw/zinc/64/33/85/1131643385.db2.gz QYMJYNGUBKWKHC-LBPRGKRZSA-N 0 1 282.309 3.563 20 0 CHADMN Cc1ncccc1CN(C)Cc1ccccc1C1CC1 ZINC001139883413 1131645500 /nfs/dbraw/zinc/64/55/00/1131645500.db2.gz SFRZHMFZPRDAHU-UHFFFAOYSA-N 0 1 266.388 3.899 20 0 CHADMN Fc1ccc(CN2CCC[C@H](F)C2)c2ccccc12 ZINC001139889900 1131647297 /nfs/dbraw/zinc/64/72/97/1131647297.db2.gz BLMLTOGWCXUPQX-ZDUSSCGKSA-N 0 1 261.315 3.913 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2ccnnc2)cc1C ZINC001139986430 1131653856 /nfs/dbraw/zinc/65/38/56/1131653856.db2.gz JUSGQDOGCONFKB-SFHVURJKSA-N 0 1 281.403 3.821 20 0 CHADMN CCN(Cc1ccc(C(F)(F)F)cc1)Cc1ccnnc1 ZINC001139986810 1131654236 /nfs/dbraw/zinc/65/42/36/1131654236.db2.gz SJWSCRBEVDUEMK-UHFFFAOYSA-N 0 1 295.308 3.518 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cc3ccccc3cn2)CCC1(F)F ZINC001139996013 1131655358 /nfs/dbraw/zinc/65/53/58/1131655358.db2.gz UXINSTQIJDLSIH-GFCCVEGCSA-N 0 1 276.330 3.712 20 0 CHADMN C[C@@H]1CN(Cc2cc3ccccc3cn2)CCC1(F)F ZINC001139996013 1131655362 /nfs/dbraw/zinc/65/53/62/1131655362.db2.gz UXINSTQIJDLSIH-GFCCVEGCSA-N 0 1 276.330 3.712 20 0 CHADMN FC(F)[C@H]1CCC[N@@H+](Cc2cc3ccccc3cn2)C1 ZINC001139998829 1131655734 /nfs/dbraw/zinc/65/57/34/1131655734.db2.gz HQFNQFQGEYSZBM-AWEZNQCLSA-N 0 1 276.330 3.712 20 0 CHADMN FC(F)(F)[C@H]1CCN(Cc2cc3ccccc3cn2)C1 ZINC001139999055 1131656344 /nfs/dbraw/zinc/65/63/44/1131656344.db2.gz OMKZJBLEGINWBI-ZDUSSCGKSA-N 0 1 280.293 3.619 20 0 CHADMN CC[C@@H](Nc1cc(N)c(F)cn1)c1ccccc1C ZINC001171197896 1131659767 /nfs/dbraw/zinc/65/97/67/1131659767.db2.gz KJIICXZWXLIGKW-CQSZACIVSA-N 0 1 259.328 3.675 20 0 CHADMN CC1=C(Br)CN(CCCCCF)CC1 ZINC000792881369 1131660626 /nfs/dbraw/zinc/66/06/26/1131660626.db2.gz LZYDZKPDDIAMPJ-UHFFFAOYSA-N 0 1 264.182 3.501 20 0 CHADMN CC1(C)CC(C(=O)Nc2ccc(Nc3ccncc3)cc2)C1 ZINC001144596923 1131661589 /nfs/dbraw/zinc/66/15/89/1131661589.db2.gz SBXTVAXKCXTZGS-UHFFFAOYSA-N 0 1 295.386 3.622 20 0 CHADMN c1csc([C@H]2CCCN2Cc2ncn3ccccc23)c1 ZINC001144622824 1131668958 /nfs/dbraw/zinc/66/89/58/1131668958.db2.gz MRJJMYXZFOGSKE-OAHLLOKOSA-N 0 1 283.400 3.733 20 0 CHADMN Cc1nc2c(s1)[C@@H](NCc1cc3cnccc3o1)CCC2 ZINC000845951503 1131670164 /nfs/dbraw/zinc/67/01/64/1131670164.db2.gz PEZSODHCILQUTJ-ZDUSSCGKSA-N 0 1 299.399 3.760 20 0 CHADMN c1cc(-c2ccc(CN3CCCCC34COC4)cc2)ccn1 ZINC001140173228 1131672432 /nfs/dbraw/zinc/67/24/32/1131672432.db2.gz QDRSSCGPTMWHAP-UHFFFAOYSA-N 0 1 294.398 3.504 20 0 CHADMN Cc1cccc2c1CN(Cc1cc(C)c(O)cc1C)C2 ZINC001140196898 1131675034 /nfs/dbraw/zinc/67/50/34/1131675034.db2.gz DEUUCJMEZXUHQN-UHFFFAOYSA-N 0 1 267.372 3.833 20 0 CHADMN C[C@@H](CSc1ccccc1)N(C)Cc1ccc(F)nc1 ZINC000846001036 1131677196 /nfs/dbraw/zinc/67/71/96/1131677196.db2.gz ZIGPMFCHAAZQHQ-ZDUSSCGKSA-N 0 1 290.407 3.833 20 0 CHADMN O=C([O-])c1ccsc1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001144677412 1131680137 /nfs/dbraw/zinc/68/01/37/1131680137.db2.gz PIOSRYGTJGNFOL-CYBMUJFWSA-N 0 1 293.432 3.849 20 0 CHADMN CCCN(CCC)c1ccc(NCc2ccnn2C)cc1 ZINC000846061427 1131686310 /nfs/dbraw/zinc/68/63/10/1131686310.db2.gz PFSOAABBMVNBPW-UHFFFAOYSA-N 0 1 286.423 3.659 20 0 CHADMN CC(C)(C)c1nnc(CNc2ccc3cnccc3c2)o1 ZINC000834685296 1131693464 /nfs/dbraw/zinc/69/34/64/1131693464.db2.gz OVIXGXQNIDTOPC-UHFFFAOYSA-N 0 1 282.347 3.527 20 0 CHADMN Cc1cnc(C(=O)Nc2ccc3c(c2)CCCCC3)c(O)c1 ZINC001144734711 1131697049 /nfs/dbraw/zinc/69/70/49/1131697049.db2.gz VCBYOBIUIPWRKN-UHFFFAOYSA-N 0 1 296.370 3.617 20 0 CHADMN Cc1ccc2[nH]nc(CN3CCC[C@@H]3c3cccnc3)c2c1 ZINC001140328037 1131698052 /nfs/dbraw/zinc/69/80/52/1131698052.db2.gz QPKVIGUATCYIRJ-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCC[C@@H]3c3cccnc3)c2c1 ZINC001140328037 1131698057 /nfs/dbraw/zinc/69/80/57/1131698057.db2.gz QPKVIGUATCYIRJ-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1ccc2[nH]nc(CN3CCc4ccc(C)cc4C3)c2c1 ZINC001140329285 1131698753 /nfs/dbraw/zinc/69/87/53/1131698753.db2.gz VMYCZPAWNHFBQX-UHFFFAOYSA-N 0 1 291.398 3.738 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCc4ccc(C)cc4C3)c2c1 ZINC001140329285 1131698755 /nfs/dbraw/zinc/69/87/55/1131698755.db2.gz VMYCZPAWNHFBQX-UHFFFAOYSA-N 0 1 291.398 3.738 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCC[C@@H](C)[C@@H](C)C1 ZINC001144749011 1131701944 /nfs/dbraw/zinc/70/19/44/1131701944.db2.gz HLGFSTFKXVDGCA-NEPJUHHUSA-N 0 1 283.362 3.841 20 0 CHADMN CC[C@H]1CCCCN1Cc1c(F)ccc(F)c1OC ZINC001144755594 1131702778 /nfs/dbraw/zinc/70/27/78/1131702778.db2.gz NAQCWBAPWFOTCD-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001140362565 1131706889 /nfs/dbraw/zinc/70/68/89/1131706889.db2.gz PRWYEXLCXBKVCP-LLVKDONJSA-N 0 1 299.871 3.629 20 0 CHADMN C[C@@H]1CCCN(Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001140362565 1131706893 /nfs/dbraw/zinc/70/68/93/1131706893.db2.gz PRWYEXLCXBKVCP-LLVKDONJSA-N 0 1 299.871 3.629 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@@H]2N[C@@H]1CCn2ccnc21 ZINC000834833297 1131708252 /nfs/dbraw/zinc/70/82/52/1131708252.db2.gz YKHWXZDVZVHDKF-JKSUJKDBSA-N 0 1 281.403 3.612 20 0 CHADMN CN(Cc1ccc(-c2ccccn2)cc1)Cc1cccnc1 ZINC001140376775 1131708597 /nfs/dbraw/zinc/70/85/97/1131708597.db2.gz KVSCGJWVZXUJDE-UHFFFAOYSA-N 0 1 289.382 3.776 20 0 CHADMN C[C@H]1CN(Cc2ccc(-c3ccccn3)cc2)CCCC1=O ZINC001140377208 1131709219 /nfs/dbraw/zinc/70/92/19/1131709219.db2.gz RSLNURIYNONVAE-HNNXBMFYSA-N 0 1 294.398 3.550 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1ccc(-c2ccccn2)cc1 ZINC001140382061 1131709584 /nfs/dbraw/zinc/70/95/84/1131709584.db2.gz PBSARVNZCMSEKS-LJQANCHMSA-N 0 1 294.398 3.692 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1ccc(-c2ccccn2)cc1 ZINC001140382060 1131710018 /nfs/dbraw/zinc/71/00/18/1131710018.db2.gz PBSARVNZCMSEKS-IBGZPJMESA-N 0 1 294.398 3.692 20 0 CHADMN FC1(F)CSC2(CN(Cc3ccc4c(c3)CCC4)C2)C1 ZINC001203033683 1131715679 /nfs/dbraw/zinc/71/56/79/1131715679.db2.gz AEFMUQXXNNVZRF-UHFFFAOYSA-N 0 1 295.398 3.502 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nccn1CC)c1ccc2c(c1)CCO2 ZINC000834892066 1131721026 /nfs/dbraw/zinc/72/10/26/1131721026.db2.gz AMPARGSSTQOPQW-XJKSGUPXSA-N 0 1 299.418 3.640 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2ccnc(Cl)c2)cn1 ZINC000834901689 1131725848 /nfs/dbraw/zinc/72/58/48/1131725848.db2.gz AYRRKYHVAJZYFX-GFCCVEGCSA-N 0 1 275.783 3.598 20 0 CHADMN Cc1ccc(Cl)nc1CN1CCC[C@](C)(F)CC1 ZINC001140441568 1131738071 /nfs/dbraw/zinc/73/80/71/1131738071.db2.gz LPZQBNYWLXJINT-AWEZNQCLSA-N 0 1 270.779 3.758 20 0 CHADMN Clc1cccc2[nH]cc(CN3CC(c4cccnc4)C3)c21 ZINC001140447163 1131739752 /nfs/dbraw/zinc/73/97/52/1131739752.db2.gz SAAAMUBDBZKGBM-UHFFFAOYSA-N 0 1 297.789 3.816 20 0 CHADMN F[C@H]1CN(Cc2ccccc2-c2nccs2)C[C@@H]2C[C@@H]21 ZINC001140450308 1131743426 /nfs/dbraw/zinc/74/34/26/1131743426.db2.gz PCABAIYPTFNJOT-QEJZJMRPSA-N 0 1 288.391 3.600 20 0 CHADMN c1nsnc1CN1C[C@@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000846860040 1131746597 /nfs/dbraw/zinc/74/65/97/1131746597.db2.gz BPNSVBINIFIXHO-YESZJQIVSA-N 0 1 299.443 3.696 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1cnc(Cl)c(F)c1 ZINC000846840935 1131749756 /nfs/dbraw/zinc/74/97/56/1131749756.db2.gz KBPXDBJCGOOYFG-KOLCDFICSA-N 0 1 256.752 3.637 20 0 CHADMN CC1=C(c2ccco2)CN(CC2(Br)CC2)CC1 ZINC000846893405 1131756463 /nfs/dbraw/zinc/75/64/63/1131756463.db2.gz HXTKTLYKQZZFCA-UHFFFAOYSA-N 0 1 296.208 3.686 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cc(F)cc(OC)c1 ZINC001140484440 1131761523 /nfs/dbraw/zinc/76/15/23/1131761523.db2.gz QSRKCDBBJIIOKQ-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN CC(=O)C1CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000846946715 1131762652 /nfs/dbraw/zinc/76/26/52/1131762652.db2.gz LVEUGTLCHXTSHW-MRXNPFEDSA-N 0 1 277.795 3.628 20 0 CHADMN CCCCN(C(=O)[C@H]1CCN1C(C)(C)C)c1ccccc1 ZINC001149108152 1131784180 /nfs/dbraw/zinc/78/41/80/1131784180.db2.gz FMWVXLJLAHKOKB-MRXNPFEDSA-N 0 1 288.435 3.693 20 0 CHADMN Cc1cccc([C@H](C)NC(=O)c2cccc3nc[nH]c32)c1C ZINC001146225976 1131786699 /nfs/dbraw/zinc/78/66/99/1131786699.db2.gz JBOVICWCXPKQES-ZDUSSCGKSA-N 0 1 293.370 3.671 20 0 CHADMN Oc1cccc(CN2CCC3(CC3)CC2)c1Br ZINC001140547694 1131788780 /nfs/dbraw/zinc/78/87/80/1131788780.db2.gz KBTUOWWZVNHWLF-UHFFFAOYSA-N 0 1 296.208 3.531 20 0 CHADMN CCCC(=O)c1ccccc1O[C@@H]1CCCN(CC)C1 ZINC001228025338 1131791547 /nfs/dbraw/zinc/79/15/47/1131791547.db2.gz UCJBGDWEJNLNFX-CQSZACIVSA-N 0 1 275.392 3.533 20 0 CHADMN C[C@@]1(CF)CCN(Cc2cccc(F)c2Cl)C1 ZINC001140560084 1131793449 /nfs/dbraw/zinc/79/34/49/1131793449.db2.gz KKEZDLGLAMTGHN-ZDUSSCGKSA-N 0 1 259.727 3.661 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3cccc(F)c3Cl)C[C@@H]21 ZINC001140562645 1131795076 /nfs/dbraw/zinc/79/50/76/1131795076.db2.gz GOFXSGIHCNNAKN-PHIMTYICSA-N 0 1 253.748 3.567 20 0 CHADMN c1ccc2c(c1)COC[C@H]2Nc1cc(OCC2CC2)ccn1 ZINC001171291696 1131802014 /nfs/dbraw/zinc/80/20/14/1131802014.db2.gz GXUCHBCVYSHFGV-QGZVFWFLSA-N 0 1 296.370 3.554 20 0 CHADMN Cc1ccc(CCN(C)Cc2cc(Cl)ncc2F)cc1 ZINC001140610730 1131826892 /nfs/dbraw/zinc/82/68/92/1131826892.db2.gz KVZKALOILXVTMR-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN CC(=O)c1c(O[C@@H]2CN3CCC2CC3)ccc2ccccc21 ZINC001228248207 1131837248 /nfs/dbraw/zinc/83/72/48/1131837248.db2.gz RKCMHRXARZXXPD-GOSISDBHSA-N 0 1 295.382 3.515 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc3c2OCCO3)cc1C ZINC000772985291 1131839767 /nfs/dbraw/zinc/83/97/67/1131839767.db2.gz QXFHJUJXVWKMGR-HNNXBMFYSA-N 0 1 297.398 3.925 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2cccc3ccncc32)no1 ZINC001140640368 1131841830 /nfs/dbraw/zinc/84/18/30/1131841830.db2.gz MRKKXZIFZIFMQB-SFHVURJKSA-N 0 1 293.370 3.868 20 0 CHADMN Cc1nc2ccc(O[C@@H](C)c3ccncc3F)cc2[nH]1 ZINC001228329758 1131858805 /nfs/dbraw/zinc/85/88/05/1131858805.db2.gz QBGRGDNPOZWKKW-VIFPVBQESA-N 0 1 271.295 3.545 20 0 CHADMN CCCC(=O)c1ccc(O[C@H]2CCC[N@@H+](CC)C2)cc1 ZINC001228465372 1131887906 /nfs/dbraw/zinc/88/79/06/1131887906.db2.gz HRTXEBSSYRJFDM-INIZCTEOSA-N 0 1 275.392 3.533 20 0 CHADMN CCCC(=O)c1ccc(O[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001228465332 1131889083 /nfs/dbraw/zinc/88/90/83/1131889083.db2.gz GIUBNQFQMCQVEQ-KRWDZBQOSA-N 0 1 289.419 3.921 20 0 CHADMN CCN(Cc1c(Cl)ncc2ccccc21)C1CC1 ZINC001140720400 1131893152 /nfs/dbraw/zinc/89/31/52/1131893152.db2.gz PKKLACJQOHYTIQ-UHFFFAOYSA-N 0 1 260.768 3.873 20 0 CHADMN CC[C@H](c1ccccc1)N(Cc1nc(C)no1)CC(C)C ZINC000348141216 1131893631 /nfs/dbraw/zinc/89/36/31/1131893631.db2.gz USUDCDCJLZTJFQ-MRXNPFEDSA-N 0 1 287.407 3.987 20 0 CHADMN O=c1ncc(Cl)c(O[C@@H]2CCc3ccc(Cl)cc32)[nH]1 ZINC001228481777 1131893873 /nfs/dbraw/zinc/89/38/73/1131893873.db2.gz HFGYUIXDGOAUEN-LLVKDONJSA-N 0 1 297.141 3.555 20 0 CHADMN c1cnn(-c2ccncc2NCc2cc3ccccc3o2)c1 ZINC000348143088 1131894051 /nfs/dbraw/zinc/89/40/51/1131894051.db2.gz OWCKZBQZXVWZAB-UHFFFAOYSA-N 0 1 290.326 3.626 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1N ZINC001140718044 1131895284 /nfs/dbraw/zinc/89/52/84/1131895284.db2.gz RQHOZUNMMCJXEI-LBPRGKRZSA-N 0 1 286.806 3.869 20 0 CHADMN CC(C)[C@H]1CC[C@H](Oc2nc(Cl)nc3nc[nH]c32)CC1 ZINC001228507946 1131899713 /nfs/dbraw/zinc/89/97/13/1131899713.db2.gz XMLWDBSGSHLLRP-MGCOHNPYSA-N 0 1 294.786 3.600 20 0 CHADMN CCC[C@@H](C)[C@@H](CC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507251 1131899754 /nfs/dbraw/zinc/89/97/54/1131899754.db2.gz KJLZANVFZRXFHY-RKDXNWHRSA-N 0 1 282.775 3.600 20 0 CHADMN c1sc(CN2CCCC3(CCC3)C2)nc1C1CC1 ZINC000348175750 1131900345 /nfs/dbraw/zinc/90/03/45/1131900345.db2.gz FBYADOBQXJSHCE-UHFFFAOYSA-N 0 1 262.422 3.787 20 0 CHADMN Cc1cc(Cl)nc(CN[C@@H](C)c2cccs2)c1 ZINC000282791833 1131902528 /nfs/dbraw/zinc/90/25/28/1131902528.db2.gz QGWDNXDOMDMPGN-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN COc1ccc(CN2CCCC[C@@H]2C)c(Br)c1 ZINC001140755799 1131908081 /nfs/dbraw/zinc/90/80/81/1131908081.db2.gz TWYFHLVPXSEFLC-NSHDSACASA-N 0 1 298.224 3.832 20 0 CHADMN Cc1ccccc1N1CCN(Cc2ccc(F)cc2C)CC1 ZINC001140778554 1131912324 /nfs/dbraw/zinc/91/23/24/1131912324.db2.gz WTVDIZUFLFEZGW-UHFFFAOYSA-N 0 1 298.405 3.765 20 0 CHADMN Cc1cc(F)ccc1CN1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001140777304 1131912752 /nfs/dbraw/zinc/91/27/52/1131912752.db2.gz LNKWPCLAGLAFTD-DGCLKSJQSA-N 0 1 293.279 3.714 20 0 CHADMN Cc1cnc2c(c1)CN(Cc1coc3ccccc13)CC2 ZINC001140784863 1131916369 /nfs/dbraw/zinc/91/63/69/1131916369.db2.gz CBLGEJJSKXFJDX-UHFFFAOYSA-N 0 1 278.355 3.695 20 0 CHADMN COc1cccc(CN(C)Cc2cc(O)cc(Cl)c2)c1 ZINC001140794480 1131922469 /nfs/dbraw/zinc/92/24/69/1131922469.db2.gz MBUPGGSCCYAREP-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN CN(Cc1c[nH]c2ccncc12)[C@H](C1CCC1)C(F)(F)F ZINC001140804882 1131928262 /nfs/dbraw/zinc/92/82/62/1131928262.db2.gz JDQFAUNYHGDRPI-CQSZACIVSA-N 0 1 297.324 3.726 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H]2CCCc3c[nH]nc32)cc1F ZINC000773063975 1131933877 /nfs/dbraw/zinc/93/38/77/1131933877.db2.gz KXTBLENAHRSUAY-IAQYHMDHSA-N 0 1 273.355 3.585 20 0 CHADMN COc1cc(F)c(CN2CCCC[C@@H](C)C2)c(F)c1 ZINC001140824773 1131937338 /nfs/dbraw/zinc/93/73/38/1131937338.db2.gz IOYWHDSCWHBZLX-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN COc1cc(F)c(CN2CCC[C@@H]3CCC[C@H]32)c(F)c1 ZINC001140827668 1131939710 /nfs/dbraw/zinc/93/97/10/1131939710.db2.gz HJNGVGPJXILUFN-MEDUHNTESA-N 0 1 281.346 3.738 20 0 CHADMN [O-]c1c(Cl)cc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)cc1Cl ZINC001140836388 1131942676 /nfs/dbraw/zinc/94/26/76/1131942676.db2.gz YCUSJRKNGBKWQE-SKDRFNHKSA-N 0 1 272.175 3.683 20 0 CHADMN [O-]c1c(Cl)cc(C[N@H+]2CCC[C@@H]3C[C@@H]32)cc1Cl ZINC001140836388 1131942682 /nfs/dbraw/zinc/94/26/82/1131942682.db2.gz YCUSJRKNGBKWQE-SKDRFNHKSA-N 0 1 272.175 3.683 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccc(F)n2)c(C)s1 ZINC000773091974 1131944371 /nfs/dbraw/zinc/94/43/71/1131944371.db2.gz XWZZIEZEGAOEHR-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)N[C@@H](C)c1ccc[nH]1 ZINC000773117175 1131948884 /nfs/dbraw/zinc/94/88/84/1131948884.db2.gz KRGWXVJGADKMQN-OLZOCXBDSA-N 0 1 258.365 3.744 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1[nH]cc(C)c1C ZINC001140861441 1131949910 /nfs/dbraw/zinc/94/99/10/1131949910.db2.gz HIKOYHFZKZNBME-AWEZNQCLSA-N 0 1 272.392 3.833 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccc[nH]2)c(F)c1 ZINC000773119629 1131950349 /nfs/dbraw/zinc/95/03/49/1131950349.db2.gz RQJWTMRFJCVLJP-QWRGUYRKSA-N 0 1 262.328 3.574 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc2ccccc2n1)c1ccc[nH]1 ZINC000773119301 1131950697 /nfs/dbraw/zinc/95/06/97/1131950697.db2.gz OBXDZEXBACPSOX-CHWSQXEVSA-N 0 1 265.360 3.975 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@H]2c2ccc(C)nc2)c1C ZINC001140861716 1131951031 /nfs/dbraw/zinc/95/10/31/1131951031.db2.gz MQWNTFMILIJJOG-KRWDZBQOSA-N 0 1 269.392 3.672 20 0 CHADMN Nc1cccc(F)c1CN1CCC(c2cccs2)CC1 ZINC001140874739 1131953769 /nfs/dbraw/zinc/95/37/69/1131953769.db2.gz GJFDIEGVASWYLP-UHFFFAOYSA-N 0 1 290.407 3.849 20 0 CHADMN Fc1cc(CN2CCC(F)CC2)ccc1OC(F)(F)F ZINC001140885418 1131955825 /nfs/dbraw/zinc/95/58/25/1131955825.db2.gz CAFWUCKJIAXXAO-UHFFFAOYSA-N 0 1 295.251 3.658 20 0 CHADMN CN(Cc1c(N)cccc1F)[C@@H]1CCc2ccccc21 ZINC001140878188 1131957050 /nfs/dbraw/zinc/95/70/50/1131957050.db2.gz QQFYXFQFVIHVQM-QGZVFWFLSA-N 0 1 270.351 3.527 20 0 CHADMN C[N@@H+](CCCc1ccccc1)Cc1ccc([O-])c(F)c1F ZINC001140894132 1131957768 /nfs/dbraw/zinc/95/77/68/1131957768.db2.gz RJGZFQZSUUNCDY-UHFFFAOYSA-N 0 1 291.341 3.735 20 0 CHADMN Cc1cc(CN(C)Cc2cccc(Cl)c2Cl)n[nH]1 ZINC001203077219 1131962090 /nfs/dbraw/zinc/96/20/90/1131962090.db2.gz SRRAAGJWCYEOFC-UHFFFAOYSA-N 0 1 284.190 3.657 20 0 CHADMN FC(F)(F)c1ccncc1CN1CCCCCCC1 ZINC001140918162 1131962937 /nfs/dbraw/zinc/96/29/37/1131962937.db2.gz DMSUZCPIHILZCO-UHFFFAOYSA-N 0 1 272.314 3.867 20 0 CHADMN CCCOC(=O)[C@H](C)N1CC(C)(C)C[C@@H]1c1ccccc1 ZINC001171407604 1131976849 /nfs/dbraw/zinc/97/68/49/1131976849.db2.gz MLOGEVLUDHXKQB-GOEBONIOSA-N 0 1 289.419 3.801 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccn3)s2)C[C@@H]1F ZINC001141003222 1131981606 /nfs/dbraw/zinc/98/16/06/1131981606.db2.gz QRHYOGXZHDCXFC-YPMHNXCESA-N 0 1 276.380 3.600 20 0 CHADMN C[C@@H]1CN(Cc2ccc(-c3ccccn3)s2)C[C@@H]1F ZINC001141003222 1131981608 /nfs/dbraw/zinc/98/16/08/1131981608.db2.gz QRHYOGXZHDCXFC-YPMHNXCESA-N 0 1 276.380 3.600 20 0 CHADMN C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(-c2ccccn2)s1 ZINC001141002632 1131981800 /nfs/dbraw/zinc/98/18/00/1131981800.db2.gz FATLREYSIUUZQK-NEPJUHHUSA-N 0 1 276.380 3.742 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1ccc(-c2ccccn2)s1 ZINC001141002632 1131981808 /nfs/dbraw/zinc/98/18/08/1131981808.db2.gz FATLREYSIUUZQK-NEPJUHHUSA-N 0 1 276.380 3.742 20 0 CHADMN FC(F)(F)c1ccc([C@@H]2CCN(Cc3ncco3)C2)cc1 ZINC001141007597 1131983841 /nfs/dbraw/zinc/98/38/41/1131983841.db2.gz SPVBWVYWIDJXND-GFCCVEGCSA-N 0 1 296.292 3.683 20 0 CHADMN FC[C@H]1CCCN1Cc1ccc(-c2ccccn2)s1 ZINC001141005450 1131984187 /nfs/dbraw/zinc/98/41/87/1131984187.db2.gz IJROJTYAROHSKZ-GFCCVEGCSA-N 0 1 276.380 3.744 20 0 CHADMN FC(F)(F)c1n[nH]cc1CN(Cc1ccccc1)C1CC1 ZINC001141016872 1131985404 /nfs/dbraw/zinc/98/54/04/1131985404.db2.gz QOTAPCPMPMFLPT-UHFFFAOYSA-N 0 1 295.308 3.593 20 0 CHADMN COc1ccc([C@H](Oc2nnc3c[nH]ccc2-3)C(C)C)cc1 ZINC001228988873 1131991760 /nfs/dbraw/zinc/99/17/60/1131991760.db2.gz BIODWGKOXNHKGX-MRXNPFEDSA-N 0 1 297.358 3.743 20 0 CHADMN Cc1ccc([C@H](C)Oc2nnc3c[nH]ccc2-3)c(C)c1 ZINC001228990487 1131993318 /nfs/dbraw/zinc/99/33/18/1131993318.db2.gz PSPNDKQAZUMIQX-LBPRGKRZSA-N 0 1 267.332 3.715 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1ccn2ccnc2c1 ZINC001141046723 1131993960 /nfs/dbraw/zinc/99/39/60/1131993960.db2.gz MAPLONOMOJBJRT-AWEZNQCLSA-N 0 1 295.386 3.536 20 0 CHADMN C[C@@H](Oc1nnc2c[nH]ccc1-2)c1csc(Cl)c1 ZINC001228989850 1131994302 /nfs/dbraw/zinc/99/43/02/1131994302.db2.gz LBRBZRHJKWQAAK-SSDOTTSWSA-N 0 1 279.752 3.813 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccns1)CC2 ZINC000715951614 1131998178 /nfs/dbraw/zinc/99/81/78/1131998178.db2.gz FCQDZFXPEKQURF-SMDDNHRTSA-N 0 1 258.390 3.790 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)cc1)c1ccns1 ZINC000715968822 1132000249 /nfs/dbraw/zinc/00/02/49/1132000249.db2.gz WGCMBJHQDQHSBS-NXEZZACHSA-N 0 1 250.342 3.694 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@H](C)c1ccns1)CCC2 ZINC000716019022 1132002438 /nfs/dbraw/zinc/00/24/38/1132002438.db2.gz GPSNCNIASUXMKB-IAQYHMDHSA-N 0 1 288.416 3.880 20 0 CHADMN Cc1n[nH]c(CNCc2ccc(C(C)(C)C)cc2)c1C ZINC000716469939 1132025189 /nfs/dbraw/zinc/02/51/89/1132025189.db2.gz DRICJSKCFFJHJX-UHFFFAOYSA-N 0 1 271.408 3.614 20 0 CHADMN FC(F)(F)c1cnccc1NCC1(c2ccccc2)CC1 ZINC001171465674 1132033833 /nfs/dbraw/zinc/03/38/33/1132033833.db2.gz FLRJNQXQHLWXNN-UHFFFAOYSA-N 0 1 292.304 3.666 20 0 CHADMN Cc1c2nc[nH]c2ccc1NCc1cccc2ncoc21 ZINC001171460687 1132035022 /nfs/dbraw/zinc/03/50/22/1132035022.db2.gz QQXIIPUQXAXBGW-UHFFFAOYSA-N 0 1 278.315 3.625 20 0 CHADMN Cc1ccc(CN2CCN(C)[C@H](c3ccccc3)C2)c(F)c1 ZINC001141194765 1132039459 /nfs/dbraw/zinc/03/94/59/1132039459.db2.gz MVNOESSJURGQCB-IBGZPJMESA-N 0 1 298.405 3.623 20 0 CHADMN COc1ccc(C(F)(F)F)cc1CN1C[C@@H]2[C@H](C1)C2(C)C ZINC001141203818 1132041396 /nfs/dbraw/zinc/04/13/96/1132041396.db2.gz VJIFNXNZCIUSLR-BETUJISGSA-N 0 1 299.336 3.802 20 0 CHADMN c1sc(-c2ccccc2)nc1CN1CCCC12CC2 ZINC001141209700 1132043429 /nfs/dbraw/zinc/04/34/29/1132043429.db2.gz BMKSCDSTJKVMGO-UHFFFAOYSA-N 0 1 270.401 3.939 20 0 CHADMN CC[C@H](C)CN1CCO[C@@H](c2cccc(F)c2)[C@@H]1C ZINC001171480014 1132044644 /nfs/dbraw/zinc/04/46/44/1132044644.db2.gz NAIFEFKMNJPHRR-HEHGZKQESA-N 0 1 265.372 3.634 20 0 CHADMN Cc1cccc2c1CC[C@H](n1c3ccccc3nc1CN)C2 ZINC001171549058 1132051118 /nfs/dbraw/zinc/05/11/18/1132051118.db2.gz IVNISGALYDSUJR-HNNXBMFYSA-N 0 1 291.398 3.533 20 0 CHADMN Cc1cccc2c1CC[C@H](N[C@H]1CCCC1(F)F)C2 ZINC001171556991 1132054175 /nfs/dbraw/zinc/05/41/75/1132054175.db2.gz PCOUPJUNDUTYFS-ZFWWWQNUSA-N 0 1 265.347 3.630 20 0 CHADMN CCc1ccc(C)nc1NCc1cccc2c1OCCCO2 ZINC001203106530 1132055372 /nfs/dbraw/zinc/05/53/72/1132055372.db2.gz ZQVBCCQRSQQURP-UHFFFAOYSA-N 0 1 298.386 3.726 20 0 CHADMN Cc1ccc(CC[C@H](C)NCc2nccc(Cl)n2)cc1 ZINC001171662765 1132070731 /nfs/dbraw/zinc/07/07/31/1132070731.db2.gz DMRLJACTJLSWOP-ZDUSSCGKSA-N 0 1 289.810 3.549 20 0 CHADMN CC[C@@H](C(=O)OC(C)(C)C)N(C)CCC1CCCC1 ZINC001171670976 1132073487 /nfs/dbraw/zinc/07/34/87/1132073487.db2.gz NHFNTJAHAWGUOK-AWEZNQCLSA-N 0 1 269.429 3.619 20 0 CHADMN Cc1nc2c(o1)CCN([C@H](C)CCc1ccc(C)cc1)C2 ZINC001171681690 1132077895 /nfs/dbraw/zinc/07/78/95/1132077895.db2.gz LHKXESQTYUKACY-CQSZACIVSA-N 0 1 284.403 3.671 20 0 CHADMN CC[C@@H]1CN(CCOc2cccc3ccccc32)[C@H](C)CO1 ZINC001171705689 1132083228 /nfs/dbraw/zinc/08/32/28/1132083228.db2.gz DPYGLCRBKBTYEK-NVXWUHKLSA-N 0 1 299.414 3.718 20 0 CHADMN CCN(Cc1cccc(Cl)c1Cl)[C@@H]1CCCOC1 ZINC001171730249 1132085890 /nfs/dbraw/zinc/08/58/90/1132085890.db2.gz SLTHJIKOCYLISD-GFCCVEGCSA-N 0 1 288.218 3.994 20 0 CHADMN COc1ccsc1C[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001141329203 1132088793 /nfs/dbraw/zinc/08/87/93/1132088793.db2.gz KHVVWEHBWDTZFK-CQSZACIVSA-N 0 1 295.448 3.538 20 0 CHADMN COc1ccsc1CN1CCOC[C@@H]1C1CCCCC1 ZINC001141329203 1132088799 /nfs/dbraw/zinc/08/87/99/1132088799.db2.gz KHVVWEHBWDTZFK-CQSZACIVSA-N 0 1 295.448 3.538 20 0 CHADMN CC(=O)c1cccc(-c2ccccc2)c1O[C@H]1CCN(C)C1 ZINC001229567051 1132089048 /nfs/dbraw/zinc/08/90/48/1132089048.db2.gz SWWKJMIZZOVNIU-INIZCTEOSA-N 0 1 295.382 3.639 20 0 CHADMN Fc1cccc2c1C[C@@H](NCc1c(F)ccc(F)c1F)C2 ZINC001171773201 1132092467 /nfs/dbraw/zinc/09/24/67/1132092467.db2.gz IQYCWLKKIPECHX-JTQLQIEISA-N 0 1 295.279 3.500 20 0 CHADMN CC[C@H]1COC(C)(C)CN1Cc1cccc(OC(F)F)c1 ZINC001171773442 1132094495 /nfs/dbraw/zinc/09/44/95/1132094495.db2.gz WERSGPNEJMJSEL-ZDUSSCGKSA-N 0 1 299.361 3.677 20 0 CHADMN C[C@@H](C(=O)Nc1ccccc1)N1CCC(C2CCC2)CC1 ZINC001171842122 1132106365 /nfs/dbraw/zinc/10/63/65/1132106365.db2.gz ZALPJDLGBXOEDU-AWEZNQCLSA-N 0 1 286.419 3.526 20 0 CHADMN CCN(CCC1CCCC1)[C@@H](C)C(=O)OC(C)(C)C ZINC001171920522 1132109930 /nfs/dbraw/zinc/10/99/30/1132109930.db2.gz IFWULOLJVDXPIN-ZDUSSCGKSA-N 0 1 269.429 3.619 20 0 CHADMN CC1(C)C[C@H](N[C@@H]2C=CC[CH]2)CC[N@H+]1Cc1ccccc1 ZINC001171977681 1132119369 /nfs/dbraw/zinc/11/93/69/1132119369.db2.gz GFZJILGSHXMNMD-QZTJIDSGSA-N 0 1 283.439 3.552 20 0 CHADMN CC1(C)C[C@H]([NH2+][C@@H]2C=CC[CH]2)CCN1Cc1ccccc1 ZINC001171977681 1132119379 /nfs/dbraw/zinc/11/93/79/1132119379.db2.gz GFZJILGSHXMNMD-QZTJIDSGSA-N 0 1 283.439 3.552 20 0 CHADMN C1=C[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[CH]C1 ZINC001172068248 1132125155 /nfs/dbraw/zinc/12/51/55/1132125155.db2.gz JFVCOWWXCZMOJD-HAGHYFMRSA-N 0 1 295.450 3.694 20 0 CHADMN CC[C@@H](C)[C@H](C)Oc1ccc(F)cc1CN(C)C ZINC001229858151 1132125270 /nfs/dbraw/zinc/12/52/70/1132125270.db2.gz HBSLTKABWFGWFZ-NEPJUHHUSA-N 0 1 253.361 3.701 20 0 CHADMN CC1CCC(Oc2ccc(F)cc2CN(C)C)CC1 ZINC001229854977 1132125372 /nfs/dbraw/zinc/12/53/72/1132125372.db2.gz QXGIKDOVGLVILZ-UHFFFAOYSA-N 0 1 265.372 3.845 20 0 CHADMN Cc1ccc([C@@H](C)Oc2ccc(F)cc2CN(C)C)cn1 ZINC001229858234 1132125411 /nfs/dbraw/zinc/12/54/11/1132125411.db2.gz JSRMGRDTSHFMDA-CYBMUJFWSA-N 0 1 288.366 3.731 20 0 CHADMN CN(C)Cc1cc(F)ccc1O[C@@H]1CCCC[C@H]1F ZINC001229858271 1132125720 /nfs/dbraw/zinc/12/57/20/1132125720.db2.gz KJTJYMWFXRWLMI-UKRRQHHQSA-N 0 1 269.335 3.547 20 0 CHADMN C[C@@H](Oc1ccc(F)cc1CN(C)C)c1cccnc1F ZINC001229858520 1132125853 /nfs/dbraw/zinc/12/58/53/1132125853.db2.gz OEGRLLHGEHRKCC-LLVKDONJSA-N 0 1 292.329 3.561 20 0 CHADMN C[C@H](N[C@@H]1CSc2ccccc2C1)c1cscn1 ZINC001172183039 1132135873 /nfs/dbraw/zinc/13/58/73/1132135873.db2.gz BAJQLXLBIKGPEN-JQWIXIFHSA-N 0 1 276.430 3.511 20 0 CHADMN CCCCCc1cc(F)c(O[C@@H]2CCN(C)C2)c(F)c1 ZINC001229971235 1132139094 /nfs/dbraw/zinc/13/90/94/1132139094.db2.gz LPDBLACSVUOJFV-CYBMUJFWSA-N 0 1 283.362 3.780 20 0 CHADMN CCCCCc1cc(F)c(O[C@H]2CCN(C)C2)c(F)c1 ZINC001229971238 1132139205 /nfs/dbraw/zinc/13/92/05/1132139205.db2.gz LPDBLACSVUOJFV-ZDUSSCGKSA-N 0 1 283.362 3.780 20 0 CHADMN O=c1[nH]cnc(O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1Cl ZINC001230018114 1132145341 /nfs/dbraw/zinc/14/53/41/1132145341.db2.gz NEYOCECBOSJRRZ-GARJFASQSA-N 0 1 282.771 3.573 20 0 CHADMN CC[C@@H](Oc1nc[nH]c(=O)c1Cl)c1ccccc1F ZINC001230018328 1132145853 /nfs/dbraw/zinc/14/58/53/1132145853.db2.gz PPYDOIBRSJKZCZ-SNVBAGLBSA-N 0 1 282.702 3.505 20 0 CHADMN C[C@@]1(F)CCCN([C@H]2CSc3ccccc3C2)C1 ZINC001172197397 1132147342 /nfs/dbraw/zinc/14/73/42/1132147342.db2.gz VIMZTXGWTJPLOH-UKRRQHHQSA-N 0 1 265.397 3.527 20 0 CHADMN C[C@@H](N[C@H]1COC(C)(C)C1)c1cccc(F)c1Cl ZINC001172279267 1132162197 /nfs/dbraw/zinc/16/21/97/1132162197.db2.gz GTWXLGVXJZXCEN-NXEZZACHSA-N 0 1 271.763 3.697 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)N1CCC[C@H]1c1cc(C)on1 ZINC001172336522 1132175209 /nfs/dbraw/zinc/17/52/09/1132175209.db2.gz HZRNLXFOACNELI-WWGRRREGSA-N 0 1 280.412 3.714 20 0 CHADMN CC[C@@H](C)OCC[C@H](C)N(C)Cc1cnc(Cl)s1 ZINC001172339100 1132176555 /nfs/dbraw/zinc/17/65/55/1132176555.db2.gz NUIYSQQBNAIQKP-WDEREUQCSA-N 0 1 290.860 3.822 20 0 CHADMN CC[C@@H](C)OCC[C@H](C)N1CCc2nc(Cl)ccc2C1 ZINC001172344431 1132178868 /nfs/dbraw/zinc/17/88/68/1132178868.db2.gz YAGBMLMBKINHIC-QWHCGFSZSA-N 0 1 296.842 3.687 20 0 CHADMN CC[C@@H](C)OCC[C@@H](C)N1CCc2ncc(Cl)cc2C1 ZINC001172348751 1132181348 /nfs/dbraw/zinc/18/13/48/1132181348.db2.gz QXLXVXFYUJNBGB-CHWSQXEVSA-N 0 1 296.842 3.687 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1c[nH]c3cc(Cl)ccc13)C2 ZINC001141591175 1132194281 /nfs/dbraw/zinc/19/42/81/1132194281.db2.gz SJZYKXLSFUSFFZ-BBRMVZONSA-N 0 1 290.794 3.575 20 0 CHADMN CCCCCC[C@@H](CCC)NCc1nnc(C)o1 ZINC001172390464 1132214401 /nfs/dbraw/zinc/21/44/01/1132214401.db2.gz LXADQYQOFTVLJM-CYBMUJFWSA-N 0 1 253.390 3.607 20 0 CHADMN CCCCCC[C@H](CCC)n1c(C)cnc1CN ZINC001172391727 1132215709 /nfs/dbraw/zinc/21/57/09/1132215709.db2.gz SWXMKBIAWOXXPW-AWEZNQCLSA-N 0 1 251.418 3.962 20 0 CHADMN Fc1cc2ncccc2cc1CN1CC(c2ccccc2)C1 ZINC001141631248 1132217096 /nfs/dbraw/zinc/21/70/96/1132217096.db2.gz MUWRHYKSEGUNIL-UHFFFAOYSA-N 0 1 292.357 3.973 20 0 CHADMN FC(F)(F)[C@@H]1CCN(C/C=C\c2ccccc2)C1 ZINC000839533726 1132221505 /nfs/dbraw/zinc/22/15/05/1132221505.db2.gz LTWPXSGNKCGHLG-LLPBQKLSSA-N 0 1 255.283 3.584 20 0 CHADMN Fc1ccc2nc(C[N@@H+]3CCC[C@@H](C(F)F)C3)ccc2c1 ZINC001141648889 1132224021 /nfs/dbraw/zinc/22/40/21/1132224021.db2.gz JZQGPMFUAXOITN-GFCCVEGCSA-N 0 1 294.320 3.851 20 0 CHADMN CC(C)COCC[C@@H](C)N1CCCC(F)(F)[C@@H](F)C1 ZINC001172473372 1132225573 /nfs/dbraw/zinc/22/55/73/1132225573.db2.gz LSDZVGOJJITJQR-OLZOCXBDSA-N 0 1 281.362 3.507 20 0 CHADMN Cc1ccc(CN2CC(C)(C)C[C@@H]2C)c(Cl)n1 ZINC000839657898 1132229776 /nfs/dbraw/zinc/22/97/76/1132229776.db2.gz GQACVBKSEREQBA-NSHDSACASA-N 0 1 252.789 3.664 20 0 CHADMN C[C@@H](Oc1cc2[nH]ncc2c(F)c1)c1cccs1 ZINC001230930293 1132230726 /nfs/dbraw/zinc/23/07/26/1132230726.db2.gz BCSAAQPAQOXHSY-MRVPVSSYSA-N 0 1 262.309 3.904 20 0 CHADMN C[C@H](Oc1cc2[nH]ncc2c(F)c1)c1ccccc1 ZINC001230930399 1132230990 /nfs/dbraw/zinc/23/09/90/1132230990.db2.gz ONOJSPDSWVIRJP-JTQLQIEISA-N 0 1 256.280 3.842 20 0 CHADMN CC1(CNC(=O)c2ccc(Cl)c(O)c2)CCCCC1 ZINC001141703116 1132235823 /nfs/dbraw/zinc/23/58/23/1132235823.db2.gz JLFHNAGMGKXHJA-UHFFFAOYSA-N 0 1 281.783 3.746 20 0 CHADMN CN(Cc1cc(Br)cc(F)c1F)CC1CC1 ZINC001141795982 1132249222 /nfs/dbraw/zinc/24/92/22/1132249222.db2.gz VJWGOHNMOHSBIN-UHFFFAOYSA-N 0 1 290.151 3.569 20 0 CHADMN Brc1ccc2ccccc2c1CN1CCC1 ZINC001141711498 1132236781 /nfs/dbraw/zinc/23/67/81/1132236781.db2.gz LJLRPCIBJSVPDY-UHFFFAOYSA-N 0 1 276.177 3.808 20 0 CHADMN C[C@@H]1CCCN1CN1C(=O)C2(CCCC2)[C@H]1c1ccccc1 ZINC000840015531 1132246116 /nfs/dbraw/zinc/24/61/16/1132246116.db2.gz QMUIMANTZJCYRI-NVXWUHKLSA-N 0 1 298.430 3.572 20 0 CHADMN CC[C@@H](C)C[C@H](CC)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047366 1132247538 /nfs/dbraw/zinc/24/75/38/1132247538.db2.gz QTWLRCOOYYUOCK-BDAKNGLRSA-N 0 1 282.775 3.600 20 0 CHADMN CC(=O)OCc1ccc(CN(Cc2ccccc2)C2CC2)o1 ZINC001141792768 1132247922 /nfs/dbraw/zinc/24/79/22/1132247922.db2.gz UICHCNQLYHFJCW-UHFFFAOYSA-N 0 1 299.370 3.507 20 0 CHADMN CC[C@H](C[C@@H](C)CC)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047367 1132247975 /nfs/dbraw/zinc/24/79/75/1132247975.db2.gz QTWLRCOOYYUOCK-DTWKUNHWSA-N 0 1 282.775 3.600 20 0 CHADMN Cc1nc([C@H](C)S[C@H](C)c2cccs2)n[nH]1 ZINC000840196374 1132248726 /nfs/dbraw/zinc/24/87/26/1132248726.db2.gz KXJHXLWTTMFYCE-SFYZADRCSA-N 0 1 253.396 3.730 20 0 CHADMN CCN(Cc1cc(F)c(Br)cc1F)C(C)C ZINC001141910396 1132267870 /nfs/dbraw/zinc/26/78/70/1132267870.db2.gz PUPMHKHEKHHTEO-UHFFFAOYSA-N 0 1 292.167 3.958 20 0 CHADMN NCc1ncccc1N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172537911 1132275752 /nfs/dbraw/zinc/27/57/52/1132275752.db2.gz XWKQYAWAVRVMAB-CVEARBPZSA-N 0 1 281.403 3.679 20 0 CHADMN CC(C)(C)c1n[nH]cc1CN1CC=C(c2ccccc2)CC1 ZINC000505779017 1132275825 /nfs/dbraw/zinc/27/58/25/1132275825.db2.gz XLBLKWRZNAGKLH-UHFFFAOYSA-N 0 1 295.430 3.997 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2cc3n(n2)CCC3)s1 ZINC000840717309 1132276147 /nfs/dbraw/zinc/27/61/47/1132276147.db2.gz FOVARBGGYFSJKD-VXGBXAGGSA-N 0 1 275.421 3.611 20 0 CHADMN Cn1cnc2c1CCN([C@@H]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001172548587 1132282731 /nfs/dbraw/zinc/28/27/31/1132282731.db2.gz GRWUBRCGJQQZDL-IAGOWNOFSA-N 0 1 295.430 3.505 20 0 CHADMN CN(Cc1sccc1Oc1ccccc1)[C@H]1CCOC1 ZINC001142001090 1132290164 /nfs/dbraw/zinc/29/01/64/1132290164.db2.gz GVEAUDZMGTYNPI-ZDUSSCGKSA-N 0 1 289.400 3.761 20 0 CHADMN Cc1ccc(CN2CC[C@@H]3CCCO[C@H]3C2)cc1Cl ZINC001231421766 1132291670 /nfs/dbraw/zinc/29/16/70/1132291670.db2.gz PVRBFUIXSNLNID-HOCLYGCPSA-N 0 1 279.811 3.649 20 0 CHADMN C[C@@H]1CN(Cc2ccc3cc(N(C)C)ccc3c2)C[C@@H](C)O1 ZINC001231436516 1132293469 /nfs/dbraw/zinc/29/34/69/1132293469.db2.gz JSGHJSZCRWJLIL-HUUCEWRRSA-N 0 1 298.430 3.515 20 0 CHADMN Oc1ccc(CN2CCSc3ccccc3C2)cc1 ZINC001204096825 1132294756 /nfs/dbraw/zinc/29/47/56/1132294756.db2.gz PVUXMXFWKWSGDH-UHFFFAOYSA-N 0 1 271.385 3.500 20 0 CHADMN Cc1c(F)ccc(CN2CCC[C@](C)(F)CC2)c1F ZINC001231476298 1132296257 /nfs/dbraw/zinc/29/62/57/1132296257.db2.gz OVUPABHLDOXNBG-HNNXBMFYSA-N 0 1 271.326 3.987 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+]2CC=C(c3ccccc3)CC2)s1 ZINC001231465045 1132296514 /nfs/dbraw/zinc/29/65/14/1132296514.db2.gz ATVIICRHJMYPSR-UHFFFAOYSA-N 0 1 299.395 3.736 20 0 CHADMN Cc1cc(C)c(CN2CCC(=O)[C@@H]3CCCC[C@H]32)cc1C ZINC001231482721 1132297598 /nfs/dbraw/zinc/29/75/98/1132297598.db2.gz PTBRIAKCWSZCCI-QZTJIDSGSA-N 0 1 285.431 3.945 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccnc(Cl)c1 ZINC000840875496 1132298705 /nfs/dbraw/zinc/29/87/05/1132298705.db2.gz HOUSHOIZSBOOLR-YUSALJHKSA-N 0 1 256.752 3.666 20 0 CHADMN Clc1cscc1CNc1nccn1C1CC1 ZINC000840886736 1132302506 /nfs/dbraw/zinc/30/25/06/1132302506.db2.gz AEBVJDNJDAOGBW-UHFFFAOYSA-N 0 1 253.758 3.545 20 0 CHADMN c1ccc(-c2cccc(CN3CC[NH+](C4CC4)CC3)c2)cc1 ZINC001231508022 1132308384 /nfs/dbraw/zinc/30/83/84/1132308384.db2.gz HZIPKOLTNSSYOJ-UHFFFAOYSA-N 0 1 292.426 3.634 20 0 CHADMN CC[C@@H]1CCN(Cc2ccc(Br)cc2OC)C1 ZINC001231517098 1132311430 /nfs/dbraw/zinc/31/14/30/1132311430.db2.gz RIUPEKGWSIKZED-LLVKDONJSA-N 0 1 298.224 3.690 20 0 CHADMN C[C@@H](Cc1ccc(F)cc1Cl)N1CC(C)(C)C1 ZINC001172863463 1132347890 /nfs/dbraw/zinc/34/78/90/1132347890.db2.gz JAZVQLKZRTXZSY-JTQLQIEISA-N 0 1 255.764 3.752 20 0 CHADMN Fc1ccccc1CN1CCC[C@@H](OCC2CCC2)C1 ZINC001206175842 1132313050 /nfs/dbraw/zinc/31/30/50/1132313050.db2.gz DTRYPUREVHMCGY-MRXNPFEDSA-N 0 1 277.383 3.607 20 0 CHADMN CC(C)OC(=O)CC[C@H](C)N(C)Cc1ccc(F)cc1F ZINC001172773803 1132314081 /nfs/dbraw/zinc/31/40/81/1132314081.db2.gz RMDOTNVGLQSVCO-LBPRGKRZSA-N 0 1 299.361 3.517 20 0 CHADMN Brc1c[nH]c(CN2CCCCCCC2)c1 ZINC001231576061 1132315046 /nfs/dbraw/zinc/31/50/46/1132315046.db2.gz VIIDRSSTOWMRCV-UHFFFAOYSA-N 0 1 271.202 3.543 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)C[C@H]([N@H+]2CCC[C@@H]2C(=O)[O-])C1 ZINC000840996116 1132318270 /nfs/dbraw/zinc/31/82/70/1132318270.db2.gz OCRKNAVMULXORM-MWQQHZPXSA-N 0 1 287.403 3.508 20 0 CHADMN CC[C@@H]1COCCN1Cc1ccc(-c2ccc(C)o2)cc1 ZINC001231597222 1132321133 /nfs/dbraw/zinc/32/11/33/1132321133.db2.gz IFBMTFXPSXZODD-QGZVFWFLSA-N 0 1 285.387 3.866 20 0 CHADMN COc1cc(F)ccc1CN(Cc1ccccc1)C1CC1 ZINC001231607413 1132326475 /nfs/dbraw/zinc/32/64/75/1132326475.db2.gz ZVCGKEWAWQRBOU-UHFFFAOYSA-N 0 1 285.362 3.999 20 0 CHADMN COc1cc(C)c(CN2CCSCC2)cc1C(C)C ZINC001231626418 1132329907 /nfs/dbraw/zinc/32/99/07/1132329907.db2.gz IINIDGLXZCCHFY-UHFFFAOYSA-N 0 1 279.449 3.676 20 0 CHADMN C[C@@H](Cc1ccc(F)cc1Cl)N1CC2(CCC2)C1 ZINC001172864572 1132330126 /nfs/dbraw/zinc/33/01/26/1132330126.db2.gz UGFBMNBCVVUCHB-NSHDSACASA-N 0 1 267.775 3.896 20 0 CHADMN C[C@H](Cc1ccc(F)cc1Cl)N1CC2(CCC2)C1 ZINC001172864571 1132330473 /nfs/dbraw/zinc/33/04/73/1132330473.db2.gz UGFBMNBCVVUCHB-LLVKDONJSA-N 0 1 267.775 3.896 20 0 CHADMN CCc1ccc(CN(C)Cc2cccc3cccnc32)nc1 ZINC001231641133 1132331286 /nfs/dbraw/zinc/33/12/86/1132331286.db2.gz QIYKGKTVXVCJPW-UHFFFAOYSA-N 0 1 291.398 3.824 20 0 CHADMN Cc1sc2ccccc2c1CN1C[C@H]2CC[C@@H]1CO2 ZINC001231644719 1132333424 /nfs/dbraw/zinc/33/34/24/1132333424.db2.gz AVRUOBWJVXOLSZ-CHWSQXEVSA-N 0 1 273.401 3.573 20 0 CHADMN Cc1sc2ccccc2c1CN1CCOCC1(C)C ZINC001231644120 1132334801 /nfs/dbraw/zinc/33/48/01/1132334801.db2.gz QBZSJSVIPHMKOU-UHFFFAOYSA-N 0 1 275.417 3.821 20 0 CHADMN Cc1sc2ccccc2c1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001231645181 1132334836 /nfs/dbraw/zinc/33/48/36/1132334836.db2.gz SUOKTCJUIFRWMK-CORIIIEPSA-N 0 1 275.392 4.000 20 0 CHADMN Cc1ccc2c(c1)C[C@H](N(C)CC(=O)c1ccccc1)CC2 ZINC001172845393 1132336402 /nfs/dbraw/zinc/33/64/02/1132336402.db2.gz YDPAHZIJDZRCOP-LJQANCHMSA-N 0 1 293.410 3.667 20 0 CHADMN CN(Cc1cccc(Cl)c1)Cc1cc2cc[nH]c2cn1 ZINC001231668507 1132341029 /nfs/dbraw/zinc/34/10/29/1132341029.db2.gz XSDIFEITAXGGPG-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CC(=O)[C@H]1CCCN([C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172856096 1132342504 /nfs/dbraw/zinc/34/25/04/1132342504.db2.gz ILXWNRJVIFOCKS-YPMHNXCESA-N 0 1 297.801 3.711 20 0 CHADMN COc1cc(Cl)c(CN2CCCCCC2)c(OC)c1 ZINC001231694954 1132346998 /nfs/dbraw/zinc/34/69/98/1132346998.db2.gz NJAFTVRIDGKGGS-UHFFFAOYSA-N 0 1 283.799 3.733 20 0 CHADMN CC(C)(C)c1nc[nH]c1CN(Cc1ccccc1)C1CC1 ZINC001142234563 1132352245 /nfs/dbraw/zinc/35/22/45/1132352245.db2.gz BVNAFELQDNMZSW-UHFFFAOYSA-N 0 1 283.419 3.872 20 0 CHADMN CC(C)Oc1ncccc1CN1CCC(C(C)C)CC1 ZINC001231761480 1132355593 /nfs/dbraw/zinc/35/55/93/1132355593.db2.gz DWVCHPASMZGKFX-UHFFFAOYSA-N 0 1 276.424 3.737 20 0 CHADMN CCC[N@@H+](C)Cc1c(SC(C)C)nc2sccn12 ZINC001231774695 1132356178 /nfs/dbraw/zinc/35/61/78/1132356178.db2.gz WYJXGTIVBKFUQD-UHFFFAOYSA-N 0 1 283.466 3.738 20 0 CHADMN CCCN(C)Cc1c(SC(C)C)nc2sccn12 ZINC001231774695 1132356190 /nfs/dbraw/zinc/35/61/90/1132356190.db2.gz WYJXGTIVBKFUQD-UHFFFAOYSA-N 0 1 283.466 3.738 20 0 CHADMN CC[C@H]1COCCN1[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172882542 1132357985 /nfs/dbraw/zinc/35/79/85/1132357985.db2.gz QQKYSUIOVDDTJE-JSGCOSHPSA-N 0 1 299.867 3.931 20 0 CHADMN CCOc1ncccc1CN(C)CCCc1ccccc1 ZINC001231765582 1132358413 /nfs/dbraw/zinc/35/84/13/1132358413.db2.gz YIWQMOHBQJDQEX-UHFFFAOYSA-N 0 1 284.403 3.545 20 0 CHADMN C[C@@H](CSc1ccc(Cl)cc1)N(C)Cc1ccno1 ZINC001172881385 1132358560 /nfs/dbraw/zinc/35/85/60/1132358560.db2.gz GDTSBOIRKNGVSH-NSHDSACASA-N 0 1 296.823 3.941 20 0 CHADMN CCCCc1ccc(CN2CC(C(F)F)C2)cc1 ZINC001231783626 1132359491 /nfs/dbraw/zinc/35/94/91/1132359491.db2.gz HDFNFXRMPKGUQN-UHFFFAOYSA-N 0 1 253.336 3.726 20 0 CHADMN CCCCc1ccc(CN2CCC[C@H]2C(C)=O)cc1 ZINC001231784060 1132360004 /nfs/dbraw/zinc/36/00/04/1132360004.db2.gz ONMCENCBWCBWAT-KRWDZBQOSA-N 0 1 259.393 3.583 20 0 CHADMN CSc1ccccc1CN1CC(C)(C)OC(C)(C)C1 ZINC001231786539 1132362247 /nfs/dbraw/zinc/36/22/47/1132362247.db2.gz ZEMVUUQZWIBZEL-UHFFFAOYSA-N 0 1 279.449 3.798 20 0 CHADMN CC(C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C)=C1CCC1 ZINC000841442420 1132365263 /nfs/dbraw/zinc/36/52/63/1132365263.db2.gz CZBMHLOMTJUCAO-UHFFFAOYSA-N 0 1 285.347 3.725 20 0 CHADMN CCC(C)=CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000841443253 1132365447 /nfs/dbraw/zinc/36/54/47/1132365447.db2.gz NDOBIIYWUMVLBS-HJWRWDBZSA-N 0 1 273.336 3.581 20 0 CHADMN Cc1nc2cc(Nc3cc(C)cc(C)c3O)ccc2[nH]1 ZINC001213074423 1132368603 /nfs/dbraw/zinc/36/86/03/1132368603.db2.gz UINMMJFHDVQVCY-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN CC(=O)N(C)c1ccc(Nc2ccc3[nH]c(C)nc3c2)cc1 ZINC001213074442 1132372257 /nfs/dbraw/zinc/37/22/57/1132372257.db2.gz UTUQAXOPOYRNTE-UHFFFAOYSA-N 0 1 294.358 3.598 20 0 CHADMN CCCc1ccc(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1 ZINC001142348684 1132372652 /nfs/dbraw/zinc/37/26/52/1132372652.db2.gz IYXPQWXIAPZQDE-MSOLQXFVSA-N 0 1 285.431 3.973 20 0 CHADMN CCCc1ccc(CN2CCCC[C@H]2C(C)=O)cc1 ZINC001142367260 1132374840 /nfs/dbraw/zinc/37/48/40/1132374840.db2.gz LDXZFPKSGOGJTI-KRWDZBQOSA-N 0 1 259.393 3.583 20 0 CHADMN Cc1ccc2ccccc2c1C[N@@H+]1CCC(=O)[C@H](F)CC1 ZINC001142371743 1132377409 /nfs/dbraw/zinc/37/74/09/1132377409.db2.gz BZKTZWOQWZFISE-QGZVFWFLSA-N 0 1 285.362 3.651 20 0 CHADMN Cc1ccc2ccccc2c1CN1CCC(=O)[C@H](F)CC1 ZINC001142371743 1132377412 /nfs/dbraw/zinc/37/74/12/1132377412.db2.gz BZKTZWOQWZFISE-QGZVFWFLSA-N 0 1 285.362 3.651 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@@H]2c2ccc(C)nc2)s1 ZINC001206185739 1132377526 /nfs/dbraw/zinc/37/75/26/1132377526.db2.gz RGMDYYAAJAKPHI-OAHLLOKOSA-N 0 1 287.432 3.800 20 0 CHADMN CCN(CC)Cc1ccc(C(F)(F)F)c(F)c1F ZINC001231856952 1132382008 /nfs/dbraw/zinc/38/20/08/1132382008.db2.gz RYHPICGETKXWIZ-UHFFFAOYSA-N 0 1 267.241 3.825 20 0 CHADMN COC(=O)[C@H](C(C)C)N(C)Cc1c(C)ccc2ccccc21 ZINC001142383827 1132379944 /nfs/dbraw/zinc/37/99/44/1132379944.db2.gz QWWQHYQKXZFILF-SFHVURJKSA-N 0 1 299.414 3.778 20 0 CHADMN Cc1ccc2ccccc2c1CN(C)Cc1ccncn1 ZINC001142388118 1132381878 /nfs/dbraw/zinc/38/18/78/1132381878.db2.gz OBAVQQVDRKZYFH-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)/C(F)=C\C1CCCCC1 ZINC001142428307 1132385471 /nfs/dbraw/zinc/38/54/71/1132385471.db2.gz KJBUGQFNHSNYLR-MDWZMJQESA-N 0 1 287.338 3.935 20 0 CHADMN CCCCN(CCC)Cc1cnc(SC)nc1Cl ZINC001142423597 1132385970 /nfs/dbraw/zinc/38/59/70/1132385970.db2.gz VDUYZOPKFVWNOT-UHFFFAOYSA-N 0 1 287.860 3.864 20 0 CHADMN Cn1ncc2c1CCN(C1CCC3(CCCCC3)CC1)C2 ZINC001173121367 1132400994 /nfs/dbraw/zinc/40/09/94/1132400994.db2.gz QCLIHSBOHSYLGH-UHFFFAOYSA-N 0 1 287.451 3.671 20 0 CHADMN Cc1ccc(CC(C)(C)NCc2coc(C3CC3)n2)cc1 ZINC000841889436 1132402036 /nfs/dbraw/zinc/40/20/36/1132402036.db2.gz BMEPBHDMURJHHK-UHFFFAOYSA-N 0 1 284.403 3.971 20 0 CHADMN Cc1cc(F)ncc1CN(Cc1ccccc1)C1CC1 ZINC001231984100 1132405224 /nfs/dbraw/zinc/40/52/24/1132405224.db2.gz NTHARQMGRQZXFL-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN Cc1cc(F)ncc1CN(C)Cc1ccc(Cl)cc1 ZINC001231983534 1132405310 /nfs/dbraw/zinc/40/53/10/1132405310.db2.gz ZAYFUSIVFUHZOU-UHFFFAOYSA-N 0 1 278.758 3.815 20 0 CHADMN Clc1nccc2ccc(C[N@H+]3CCC[C@H]4C[C@H]43)cc21 ZINC001231977722 1132405852 /nfs/dbraw/zinc/40/58/52/1132405852.db2.gz FDUCSYYLNFKRKC-DZGCQCFKSA-N 0 1 272.779 3.873 20 0 CHADMN Clc1nccc2ccc(CN3CCC[C@H]4C[C@H]43)cc21 ZINC001231977722 1132405857 /nfs/dbraw/zinc/40/58/57/1132405857.db2.gz FDUCSYYLNFKRKC-DZGCQCFKSA-N 0 1 272.779 3.873 20 0 CHADMN Cc1cc(C[N@@H+](C)Cc2ccc(Cl)cc2)cc(C)n1 ZINC001231999908 1132407561 /nfs/dbraw/zinc/40/75/61/1132407561.db2.gz AGLLLKJDCYDFQR-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(Cl)cc2)cc(C)n1 ZINC001231999908 1132407563 /nfs/dbraw/zinc/40/75/63/1132407563.db2.gz AGLLLKJDCYDFQR-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1cc(CN2CC[C@H]2c2ccccc2)cc(C)n1 ZINC001232001635 1132409435 /nfs/dbraw/zinc/40/94/35/1132409435.db2.gz UHVGALKGMXKTDA-KRWDZBQOSA-N 0 1 252.361 3.645 20 0 CHADMN COc1cccc2[nH]cc(CN3CCc4ccsc4C3)c21 ZINC001232035978 1132412617 /nfs/dbraw/zinc/41/26/17/1132412617.db2.gz URFWBWVZGGEQPN-UHFFFAOYSA-N 0 1 298.411 3.796 20 0 CHADMN CCCN(CCC)Cc1ccnc(Br)c1F ZINC001232027937 1132413390 /nfs/dbraw/zinc/41/33/90/1132413390.db2.gz HJDNEUQJZYAMNA-UHFFFAOYSA-N 0 1 289.192 3.605 20 0 CHADMN CCCC[C@H](CC(C)C)NCc1nc(CC)co1 ZINC001173247087 1132419296 /nfs/dbraw/zinc/41/92/96/1132419296.db2.gz UGQDPQGPZYLUHZ-CQSZACIVSA-N 0 1 252.402 3.932 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1cn(C)nc1C(F)(F)F ZINC001232088309 1132419878 /nfs/dbraw/zinc/41/98/78/1132419878.db2.gz NGLLNQBYANQDBI-GFCCVEGCSA-N 0 1 289.345 3.594 20 0 CHADMN CCCC[C@H](CC(C)C)N(C)Cc1nnc2ccccn21 ZINC001173257674 1132424972 /nfs/dbraw/zinc/42/49/72/1132424972.db2.gz KTUIEXJNMBABKE-OAHLLOKOSA-N 0 1 288.439 3.766 20 0 CHADMN CCN(C)Cc1cc(F)ccc1OCc1ccccc1 ZINC001232117307 1132425086 /nfs/dbraw/zinc/42/50/86/1132425086.db2.gz WJIFHKWIUOEWGN-UHFFFAOYSA-N 0 1 273.351 3.856 20 0 CHADMN CCCC[C@H](CC(C)C)N1CC2(C1)CC(F)(F)CO2 ZINC001173260172 1132428122 /nfs/dbraw/zinc/42/81/22/1132428122.db2.gz OFHFSELMNAHXQC-CYBMUJFWSA-N 0 1 275.383 3.701 20 0 CHADMN CC(C)N(C)Cc1c(Br)[nH]c2ccccc21 ZINC001232140502 1132428608 /nfs/dbraw/zinc/42/86/08/1132428608.db2.gz VWOBIBCSNQBILW-UHFFFAOYSA-N 0 1 281.197 3.771 20 0 CHADMN CCCCN(CCC)Cc1nc(Cl)ccc1F ZINC001232159144 1132429815 /nfs/dbraw/zinc/42/98/15/1132429815.db2.gz PRFRXXKSOVFVQT-UHFFFAOYSA-N 0 1 258.768 3.886 20 0 CHADMN CC(C)C[N@@H+](Cc1cn(C)nc1C1CC1)Cc1ccccc1 ZINC001232168321 1132430282 /nfs/dbraw/zinc/43/02/82/1132430282.db2.gz LGRQRDOBSKNJMM-UHFFFAOYSA-N 0 1 297.446 3.956 20 0 CHADMN Cc1cnc(CN2C[C@H](C)C[C@H](C)C2)c(Br)c1 ZINC001232177169 1132431452 /nfs/dbraw/zinc/43/14/52/1132431452.db2.gz LBRHLFYLLIVXJS-TXEJJXNPSA-N 0 1 297.240 3.630 20 0 CHADMN Cc1cnc(CN2CCC[C@@H](C)[C@@H]2C)c(Br)c1 ZINC001232175174 1132431719 /nfs/dbraw/zinc/43/17/19/1132431719.db2.gz CSERJEXDNGYEQA-NEPJUHHUSA-N 0 1 297.240 3.773 20 0 CHADMN Cn1cc(CN2CC=C(c3ccccc3)CC2)c(C2CC2)n1 ZINC001232174696 1132431825 /nfs/dbraw/zinc/43/18/25/1132431825.db2.gz MKFDZGOSHQPVIQ-UHFFFAOYSA-N 0 1 293.414 3.587 20 0 CHADMN Cc1cnc(CN2C[C@@H](C)C[C@H](C)C2)c(Br)c1 ZINC001232177168 1132432368 /nfs/dbraw/zinc/43/23/68/1132432368.db2.gz LBRHLFYLLIVXJS-RYUDHWBXSA-N 0 1 297.240 3.630 20 0 CHADMN Fc1cccc(CC2CCN(Cc3ccns3)CC2)c1 ZINC001232192478 1132432913 /nfs/dbraw/zinc/43/29/13/1132432913.db2.gz KDZUQJQKISEBPJ-UHFFFAOYSA-N 0 1 290.407 3.737 20 0 CHADMN COc1ccccc1C[C@@H](C)N(C)Cc1ncsc1C ZINC001232211495 1132436923 /nfs/dbraw/zinc/43/69/23/1132436923.db2.gz FJAIIUTWVBRPRA-GFCCVEGCSA-N 0 1 290.432 3.523 20 0 CHADMN c1csc(C2CCN(Cc3cnsc3)CC2)c1 ZINC001232226251 1132438669 /nfs/dbraw/zinc/43/86/69/1132438669.db2.gz BZGPUODUSWEICJ-UHFFFAOYSA-N 0 1 264.419 3.584 20 0 CHADMN c1cc(CN2CC3(CCC3)C2)n(Cc2ccccc2)c1 ZINC001232235292 1132439970 /nfs/dbraw/zinc/43/99/70/1132439970.db2.gz JKLAOXQWMGZQSF-UHFFFAOYSA-N 0 1 266.388 3.522 20 0 CHADMN CCc1coc(CN[C@@H](C)Cc2ccc(CC)cc2)n1 ZINC001173239218 1132439809 /nfs/dbraw/zinc/43/98/09/1132439809.db2.gz OCMSDVJJMYRRIG-ZDUSSCGKSA-N 0 1 272.392 3.520 20 0 CHADMN CC(C)(c1nc(C2(N)CCCC2)no1)C1CCCCC1 ZINC000842593041 1132444480 /nfs/dbraw/zinc/44/44/80/1132444480.db2.gz UIUHLQNRSZFSBP-UHFFFAOYSA-N 0 1 277.412 3.656 20 0 CHADMN CCSC[C@H](C)NCc1coc(-c2ccc(F)cc2)n1 ZINC001173298793 1132445595 /nfs/dbraw/zinc/44/55/95/1132445595.db2.gz RRMGZWMWFSMBRI-NSHDSACASA-N 0 1 294.395 3.712 20 0 CHADMN CCCCC[C@@H](c1nc([C@@H]2CCCN2)no1)C(C)C ZINC000842641760 1132447173 /nfs/dbraw/zinc/44/71/73/1132447173.db2.gz GEWMJPNSKHZNPJ-OLZOCXBDSA-N 0 1 265.401 3.814 20 0 CHADMN CCCCC[C@@](C)(CC)c1nc([C@H]2CCCN2)no1 ZINC000842637988 1132447184 /nfs/dbraw/zinc/44/71/84/1132447184.db2.gz UZHDGEDIZTUQBB-IUODEOHRSA-N 0 1 265.401 3.742 20 0 CHADMN CCCCCC[C@@H](CC)c1nc([C@H]2CCCN2)no1 ZINC000842638452 1132448217 /nfs/dbraw/zinc/44/82/17/1132448217.db2.gz AWWKWPVOLZRQER-CHWSQXEVSA-N 0 1 265.401 3.958 20 0 CHADMN CCOc1ncc(CN2CCc3ccccc3[C@H]2C)cc1C ZINC001232302860 1132450015 /nfs/dbraw/zinc/45/00/15/1132450015.db2.gz NHKRCFZBTYFICB-OAHLLOKOSA-N 0 1 296.414 3.908 20 0 CHADMN CCOc1ncc(CN2Cc3ccccc3[C@H](C)C2)cc1C ZINC001232302285 1132450253 /nfs/dbraw/zinc/45/02/53/1132450253.db2.gz BRJCHOMGUOMDGM-OAHLLOKOSA-N 0 1 296.414 3.908 20 0 CHADMN CCSC[C@H](C)N1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001173311829 1132450701 /nfs/dbraw/zinc/45/07/01/1132450701.db2.gz PMPXXGNXKTYRHB-XJKSGUPXSA-N 0 1 297.439 3.515 20 0 CHADMN CCOc1ccc(CN2Cc3ccccc3[C@H](C)C2)c(C)n1 ZINC001232309063 1132452455 /nfs/dbraw/zinc/45/24/55/1132452455.db2.gz YSXNJPOLGVMTPW-CQSZACIVSA-N 0 1 296.414 3.908 20 0 CHADMN CC[C@@H]1CCCN1Cc1cnc(Br)cc1C ZINC001232319196 1132454703 /nfs/dbraw/zinc/45/47/03/1132454703.db2.gz ZLJDYXFRVSQGRD-GFCCVEGCSA-N 0 1 283.213 3.527 20 0 CHADMN CCN(Cc1ccccc1)Cc1ccc(SC)nc1 ZINC001232324678 1132455233 /nfs/dbraw/zinc/45/52/33/1132455233.db2.gz NEGBJCAUHQEIRW-UHFFFAOYSA-N 0 1 272.417 3.826 20 0 CHADMN Cc1nc(N)ccc1CN1CCCC[C@@H]1c1ccccc1F ZINC001232340829 1132455715 /nfs/dbraw/zinc/45/57/15/1132455715.db2.gz AMFODXAKDJTELY-QGZVFWFLSA-N 0 1 299.393 3.839 20 0 CHADMN CSc1ccc(CN(C)Cc2ccc(C)cc2)cn1 ZINC001232329667 1132456023 /nfs/dbraw/zinc/45/60/23/1132456023.db2.gz YLFJDOCQFLGSMK-UHFFFAOYSA-N 0 1 272.417 3.744 20 0 CHADMN c1ccc(-c2cccc(CN3CCCCC34COC4)c2)nc1 ZINC001142843845 1132459581 /nfs/dbraw/zinc/45/95/81/1132459581.db2.gz AZPYVNBWLOZOSX-UHFFFAOYSA-N 0 1 294.398 3.504 20 0 CHADMN c1cc2c(o1)CCN(Cc1cccc(-c3ccccn3)c1)C2 ZINC001142849453 1132460671 /nfs/dbraw/zinc/46/06/71/1132460671.db2.gz SGMXQQLAUHIMAI-UHFFFAOYSA-N 0 1 290.366 3.900 20 0 CHADMN COc1cc(CN2CCCCC23CC3)c(OC)cc1Cl ZINC001232374441 1132461967 /nfs/dbraw/zinc/46/19/67/1132461967.db2.gz RHVPTVHVPYZVQV-UHFFFAOYSA-N 0 1 295.810 3.876 20 0 CHADMN COC[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1OC(C)C ZINC001232389818 1132464705 /nfs/dbraw/zinc/46/47/05/1132464705.db2.gz JUKKTLGFGPQDRR-KRWDZBQOSA-N 0 1 291.435 3.783 20 0 CHADMN Cc1ccc(OC(C)C)c(CN2CC(c3cccnc3)C2)c1 ZINC001232398389 1132466424 /nfs/dbraw/zinc/46/64/24/1132466424.db2.gz IIUVYQJYEWIJTA-UHFFFAOYSA-N 0 1 296.414 3.777 20 0 CHADMN Fc1cnc(CN[C@@H]2CCCC3(CCCCC3)C2)nc1 ZINC001173338462 1132466684 /nfs/dbraw/zinc/46/66/84/1132466684.db2.gz IFCMUNKXOUOFPK-CQSZACIVSA-N 0 1 277.387 3.598 20 0 CHADMN Fc1ccccc1[C@@H]1CCCCN1Cc1n[nH]c2c1CCC2 ZINC001232426168 1132470210 /nfs/dbraw/zinc/47/02/10/1132470210.db2.gz HPHWQWYRXOELIM-SFHVURJKSA-N 0 1 299.393 3.765 20 0 CHADMN C[C@@H]1CCCCN1Cc1cc(OCc2ccccc2)no1 ZINC001232448745 1132471199 /nfs/dbraw/zinc/47/11/99/1132471199.db2.gz OBHNGPHBXUVJIW-CQSZACIVSA-N 0 1 286.375 3.628 20 0 CHADMN CN(CCOc1ccccc1)Cc1ccc(C(F)(F)F)o1 ZINC001232443885 1132471302 /nfs/dbraw/zinc/47/13/02/1132471302.db2.gz JQZNXOGEMDLEKS-UHFFFAOYSA-N 0 1 299.292 3.809 20 0 CHADMN CC[C@H]1CCCN(Cc2ccc(C(F)(F)F)o2)C1 ZINC001232445763 1132471393 /nfs/dbraw/zinc/47/13/93/1132471393.db2.gz WBWMWGGLXCQXDL-JTQLQIEISA-N 0 1 261.287 3.920 20 0 CHADMN F[C@@H]1CN([C@H]2CCCC3(CCCCC3)C2)C[C@@H]1F ZINC001173345929 1132471896 /nfs/dbraw/zinc/47/18/96/1132471896.db2.gz IDWMFLKVZFKIPM-MELADBBJSA-N 0 1 257.368 3.871 20 0 CHADMN Clc1ccnc2[nH]cc(CN3CCc4ccccc4C3)c21 ZINC001232454364 1132472104 /nfs/dbraw/zinc/47/21/04/1132472104.db2.gz MYNQUGZHVKGJSI-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN CCC[N@@H+](CC)Cc1cc(F)c([O-])c(Br)c1 ZINC001232630732 1132498007 /nfs/dbraw/zinc/49/80/07/1132498007.db2.gz WHULZDJXJBSELD-UHFFFAOYSA-N 0 1 290.176 3.526 20 0 CHADMN Cc1cccc(F)c1CN1CCc2ccsc2C1 ZINC001232483134 1132477508 /nfs/dbraw/zinc/47/75/08/1132477508.db2.gz CDFDJBUFCVUUIN-UHFFFAOYSA-N 0 1 261.365 3.754 20 0 CHADMN CC(C)N(Cc1ccccc1)Cc1cc(F)ccn1 ZINC001232491717 1132480504 /nfs/dbraw/zinc/48/05/04/1132480504.db2.gz XLMRYRAKSDMBGN-UHFFFAOYSA-N 0 1 258.340 3.631 20 0 CHADMN COc1cc(Cl)ccc1CN1CC[C@@H](C)C[C@@H]1C ZINC001232501514 1132481552 /nfs/dbraw/zinc/48/15/52/1132481552.db2.gz VSMWYWMUYVRVSR-NEPJUHHUSA-N 0 1 267.800 3.969 20 0 CHADMN Fc1cc2c(cc1F)CC([N@H+]1CCc3sccc3C1)C2 ZINC001173477615 1132485092 /nfs/dbraw/zinc/48/50/92/1132485092.db2.gz BXQHSDHJXPWMHG-UHFFFAOYSA-N 0 1 291.366 3.552 20 0 CHADMN Fc1cc2c(cc1F)CC(N1CCc3sccc3C1)C2 ZINC001173477615 1132485094 /nfs/dbraw/zinc/48/50/94/1132485094.db2.gz BXQHSDHJXPWMHG-UHFFFAOYSA-N 0 1 291.366 3.552 20 0 CHADMN CC[N@@H+](Cc1ccc(C)c(C)c1)Cc1cccn2ccnc12 ZINC001142959965 1132486750 /nfs/dbraw/zinc/48/67/50/1132486750.db2.gz FESRQCAAXBYFJU-UHFFFAOYSA-N 0 1 293.414 3.973 20 0 CHADMN CCN(Cc1cccs1)Cc1cc2ccoc2cn1 ZINC001232556647 1132487415 /nfs/dbraw/zinc/48/74/15/1132487415.db2.gz KMCAZLKHUKMRLD-UHFFFAOYSA-N 0 1 272.373 3.911 20 0 CHADMN CCOc1ccnc(CN(C)[C@@H]2CCc3ccccc32)c1 ZINC001232587187 1132489879 /nfs/dbraw/zinc/48/98/79/1132489879.db2.gz YJOXHAMUWMSQCL-GOSISDBHSA-N 0 1 282.387 3.600 20 0 CHADMN CN(CCC1CCCCC1)C(=O)c1cc(F)cc(F)c1O ZINC001143004776 1132492643 /nfs/dbraw/zinc/49/26/43/1132492643.db2.gz IXKWPRYVGKSDSF-UHFFFAOYSA-N 0 1 297.345 3.713 20 0 CHADMN CN(Cc1cc(-c2ccccc2)nn1C)Cc1ccccc1 ZINC001143005602 1132493059 /nfs/dbraw/zinc/49/30/59/1132493059.db2.gz YNNYGIZKBAWWPV-UHFFFAOYSA-N 0 1 291.398 3.719 20 0 CHADMN c1cc2ccc(CN3CCc4cnccc4C3)cc2s1 ZINC001232610161 1132493141 /nfs/dbraw/zinc/49/31/41/1132493141.db2.gz JPRJXRTYXQYYFL-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN CC(C)[C@H](N)c1noc(Cc2ccc(C(C)(C)C)cc2)n1 ZINC000843147931 1132497853 /nfs/dbraw/zinc/49/78/53/1132497853.db2.gz JFYCWNFTALXCST-HNNXBMFYSA-N 0 1 287.407 3.614 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@H](C)CCC(C)(C)C)n1 ZINC000843153973 1132498694 /nfs/dbraw/zinc/49/86/94/1132498694.db2.gz WOJGYUBRKOREEQ-GHMZBOCLSA-N 0 1 253.390 3.655 20 0 CHADMN [O-]c1c(Cl)ccc(C[N@@H+]2CCC[C@H]3C[C@H]32)c1Cl ZINC001232629885 1132498760 /nfs/dbraw/zinc/49/87/60/1132498760.db2.gz ZNNCLBBEJIXLOI-GZMMTYOYSA-N 0 1 272.175 3.683 20 0 CHADMN [O-]c1c(Cl)ccc(C[N@H+]2CCC[C@H]3C[C@H]32)c1Cl ZINC001232629885 1132498765 /nfs/dbraw/zinc/49/87/65/1132498765.db2.gz ZNNCLBBEJIXLOI-GZMMTYOYSA-N 0 1 272.175 3.683 20 0 CHADMN CC(C)[C@H](N)c1noc([C@H](C)CCC(C)(C)C)n1 ZINC000843153975 1132498935 /nfs/dbraw/zinc/49/89/35/1132498935.db2.gz WOJGYUBRKOREEQ-MNOVXSKESA-N 0 1 253.390 3.655 20 0 CHADMN CCCN[C@H](C)c1nc(Cc2cccc3ccccc32)no1 ZINC000843175965 1132500464 /nfs/dbraw/zinc/50/04/64/1132500464.db2.gz GCVNTZHPTTZOCO-CYBMUJFWSA-N 0 1 295.386 3.874 20 0 CHADMN Cc1ncccc1CN(C)Cc1cccc2c1CCCC2 ZINC001232640701 1132501112 /nfs/dbraw/zinc/50/11/12/1132501112.db2.gz RAMZBMFQMXWBQW-UHFFFAOYSA-N 0 1 280.415 3.901 20 0 CHADMN CCCN[C@H](C)c1nc([C@@H](C)c2c(F)cccc2F)no1 ZINC000843189109 1132502260 /nfs/dbraw/zinc/50/22/60/1132502260.db2.gz KKIFMCTTWNYAFH-VHSXEESVSA-N 0 1 295.333 3.560 20 0 CHADMN Cc1nc(CN2CCCC[C@@H](C)C2)ccc1Br ZINC001232661866 1132502527 /nfs/dbraw/zinc/50/25/27/1132502527.db2.gz MDPMOVUTZFGKKF-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN CCCN[C@H](C)c1nc(C2(c3cccc(C)c3)CC2)no1 ZINC000843233765 1132505826 /nfs/dbraw/zinc/50/58/26/1132505826.db2.gz OSRHWPZNUTVDHV-CYBMUJFWSA-N 0 1 285.391 3.519 20 0 CHADMN Cc1c(CN2CCC(OC3CCC3)CC2)ccnc1Cl ZINC001232751783 1132516745 /nfs/dbraw/zinc/51/67/45/1132516745.db2.gz PQBCGCAPTXWVRA-UHFFFAOYSA-N 0 1 294.826 3.577 20 0 CHADMN C[C@@H]1CN(Cc2cc3cccnc3[nH]2)Cc2ccccc21 ZINC001143211423 1132519721 /nfs/dbraw/zinc/51/97/21/1132519721.db2.gz CIBWOHHPRLCTEY-CYBMUJFWSA-N 0 1 277.371 3.682 20 0 CHADMN c1c2cccnc2[nH]c1CN1CCC[C@@H]2CCCC[C@H]21 ZINC001143222731 1132520883 /nfs/dbraw/zinc/52/08/83/1132520883.db2.gz AMGMTELVSYHZLR-XJKSGUPXSA-N 0 1 269.392 3.718 20 0 CHADMN CCOc1ccc(CN2CCC3(CC3)CC2)c(F)c1F ZINC001143268401 1132525485 /nfs/dbraw/zinc/52/54/85/1132525485.db2.gz BZAWUDHGSBYLNK-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN F[C@H]1CCCCN(Cc2c[nH]c3cc(Cl)ncc23)C1 ZINC001232817411 1132527148 /nfs/dbraw/zinc/52/71/48/1132527148.db2.gz BFLCVWMMRUQSKE-NSHDSACASA-N 0 1 281.762 3.540 20 0 CHADMN Brc1coc(CN2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC001232851525 1132531432 /nfs/dbraw/zinc/53/14/32/1132531432.db2.gz DTGVENPDHFPLCY-WDEREUQCSA-N 0 1 284.197 3.664 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(F)cc1 ZINC001173799692 1132533227 /nfs/dbraw/zinc/53/32/27/1132533227.db2.gz VROZRDMLGLVNSL-UHFFFAOYSA-N 0 1 259.259 3.665 20 0 CHADMN Cc1csc(CN2CC3(CC=CC3)[C@H]2C(C)C)n1 ZINC000843432071 1132533573 /nfs/dbraw/zinc/53/35/73/1132533573.db2.gz PROKBHLQGIMKQK-CQSZACIVSA-N 0 1 262.422 3.628 20 0 CHADMN C[C@H]1CCN1Cc1cccc(SC(F)(F)F)c1 ZINC001232944646 1132548049 /nfs/dbraw/zinc/54/80/49/1132548049.db2.gz RKAFQRNDHDBNIV-VIFPVBQESA-N 0 1 261.312 3.893 20 0 CHADMN CC[C@@H]1CCN(Cc2csc(C(F)(F)F)c2)C1 ZINC001233177406 1132578288 /nfs/dbraw/zinc/57/82/88/1132578288.db2.gz HLXHJEGVMMUMND-SECBINFHSA-N 0 1 263.328 3.999 20 0 CHADMN c1nc2ccc(CN3CCC[C@H]3c3cccnc3)cc2o1 ZINC001232939965 1132544349 /nfs/dbraw/zinc/54/43/49/1132544349.db2.gz VWPSVNGRMUDZAB-INIZCTEOSA-N 0 1 279.343 3.560 20 0 CHADMN CN(Cc1ccc(Cl)nc1)Cc1ccc2ncoc2c1 ZINC001232945584 1132546917 /nfs/dbraw/zinc/54/69/17/1132546917.db2.gz XYLMSTFAKRIXBQ-UHFFFAOYSA-N 0 1 287.750 3.508 20 0 CHADMN COc1ncc(CN2CCCCC23CC3)c2ccccc21 ZINC001232951611 1132549222 /nfs/dbraw/zinc/54/92/22/1132549222.db2.gz SULRTCMTGDGKOS-UHFFFAOYSA-N 0 1 282.387 3.762 20 0 CHADMN Cc1ccccc1CN(C)Cc1ccc(OC(F)F)nc1 ZINC001232952838 1132550376 /nfs/dbraw/zinc/55/03/76/1132550376.db2.gz FLDUAMUFMNGION-UHFFFAOYSA-N 0 1 292.329 3.623 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@]3(C)CC=C(C)CC3)cc2[nH]1 ZINC001150107087 1132551154 /nfs/dbraw/zinc/55/11/54/1132551154.db2.gz VSRBWHNDVVWVIU-QGZVFWFLSA-N 0 1 283.375 3.946 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C)cc2[nH]1 ZINC001150106310 1132551579 /nfs/dbraw/zinc/55/15/79/1132551579.db2.gz KKTDLURRCQLVAK-MFKMUULPSA-N 0 1 271.364 3.636 20 0 CHADMN CCOc1ccc(Nc2cc(OC)c(C)cn2)cc1 ZINC001173851521 1132554581 /nfs/dbraw/zinc/55/45/81/1132554581.db2.gz JFGPKMUHNJLDKR-UHFFFAOYSA-N 0 1 258.321 3.541 20 0 CHADMN CCC(CC)[N@@H+](CC)Cc1cc([O-])c(F)c(F)c1 ZINC001232975384 1132555321 /nfs/dbraw/zinc/55/53/21/1132555321.db2.gz INROACYJDILOOE-UHFFFAOYSA-N 0 1 257.324 3.681 20 0 CHADMN F[C@H]1CSC2(CN(Cc3ccc(C4CC4)cc3)C2)C1 ZINC001232986301 1132557762 /nfs/dbraw/zinc/55/77/62/1132557762.db2.gz MPTIFMLNDQXZDO-OAHLLOKOSA-N 0 1 277.408 3.593 20 0 CHADMN CCOC(=O)c1ccsc1CN1[C@H](C)CCC[C@@H]1C ZINC001233017337 1132562477 /nfs/dbraw/zinc/56/24/77/1132562477.db2.gz GNODESGULRMZPG-TXEJJXNPSA-N 0 1 281.421 3.688 20 0 CHADMN CCOC(=O)c1ccsc1CN1CC[C@H]2CCC[C@H]2C1 ZINC001233018654 1132563265 /nfs/dbraw/zinc/56/32/65/1132563265.db2.gz CRQZMDSDHUXIMN-OLZOCXBDSA-N 0 1 293.432 3.547 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCC[C@H]2CCC[C@@H]21 ZINC001233020577 1132565720 /nfs/dbraw/zinc/56/57/20/1132565720.db2.gz NLDMEADUTWFBEQ-OCCSQVGLSA-N 0 1 293.432 3.689 20 0 CHADMN CN(CCc1cccc(Cl)c1)Cc1cccc(O)c1F ZINC001233053110 1132566697 /nfs/dbraw/zinc/56/66/97/1132566697.db2.gz KHDCMIAJYPERRT-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN CC(C)c1ccccc1NC(=O)c1cc2cccnc2[nH]1 ZINC001151539794 1132570333 /nfs/dbraw/zinc/57/03/33/1132570333.db2.gz WMNYVPGJDKASLO-UHFFFAOYSA-N 0 1 279.343 3.939 20 0 CHADMN C(=Cc1ccccc1)Nc1cc(-c2ccncc2)no1 ZINC001173871411 1132574050 /nfs/dbraw/zinc/57/40/50/1132574050.db2.gz FNDKBFYEZZXZON-IZZDOVSWSA-N 0 1 263.300 3.819 20 0 CHADMN Cc1cc(CN(Cc2ccccc2)C2CC2)cnc1C ZINC001233160646 1132574039 /nfs/dbraw/zinc/57/40/39/1132574039.db2.gz DPPLHVVHAVHBIC-UHFFFAOYSA-N 0 1 266.388 3.863 20 0 CHADMN Cc1cc(CN(C)C/C=C/c2ccccc2)cnc1C ZINC001233160930 1132574527 /nfs/dbraw/zinc/57/45/27/1132574527.db2.gz LJDKJQDDFWNIPZ-JXMROGBWSA-N 0 1 266.388 3.844 20 0 CHADMN CC=CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001152400826 1132581278 /nfs/dbraw/zinc/58/12/78/1132581278.db2.gz IEDHKWFCUYPGCK-HVEWAWRISA-N 0 1 297.402 3.877 20 0 CHADMN Cc1cccc(-c2ccc(CN3C[C@@H](F)C[C@H]3CO)cc2)c1 ZINC001233223577 1132582554 /nfs/dbraw/zinc/58/25/54/1132582554.db2.gz OHNGPQCRURFLKC-OALUTQOASA-N 0 1 299.389 3.567 20 0 CHADMN [S-]c1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC001233258541 1132590976 /nfs/dbraw/zinc/59/09/76/1132590976.db2.gz ISBOJIWBPIIZBP-MRXNPFEDSA-N 0 1 270.401 3.707 20 0 CHADMN [S-]c1ccc(C[N@H+]2CC[C@H](OCc3ccccc3)C2)cc1 ZINC001233261101 1132591762 /nfs/dbraw/zinc/59/17/62/1132591762.db2.gz BJVMCTZPOMYWQQ-KRWDZBQOSA-N 0 1 299.439 3.766 20 0 CHADMN Cc1sccc1C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC001153340000 1132591980 /nfs/dbraw/zinc/59/19/80/1132591980.db2.gz DMNUGWGNGOLDEB-UHFFFAOYSA-N 0 1 298.411 3.787 20 0 CHADMN Cc1sccc1C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC001153340000 1132591983 /nfs/dbraw/zinc/59/19/83/1132591983.db2.gz DMNUGWGNGOLDEB-UHFFFAOYSA-N 0 1 298.411 3.787 20 0 CHADMN O=C(Nc1ncsc1C1CC1)c1ccc(Cl)cc1O ZINC001153879188 1132602895 /nfs/dbraw/zinc/60/28/95/1132602895.db2.gz ISNKNIFPAPSHTK-UHFFFAOYSA-N 0 1 294.763 3.632 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1F ZINC000133695063 1132603243 /nfs/dbraw/zinc/60/32/43/1132603243.db2.gz FFCFJAFKARLRFR-CQSZACIVSA-N 0 1 289.325 3.660 20 0 CHADMN CC(=O)c1cccc(Nc2cnc3cccc(C)n23)c1 ZINC001173902548 1132605588 /nfs/dbraw/zinc/60/55/88/1132605588.db2.gz KMHRDVSKBJFXSB-UHFFFAOYSA-N 0 1 265.316 3.589 20 0 CHADMN CSc1cccc(Cl)c1CN1CC[C@@]2(CCCO2)C1 ZINC001233350556 1132607616 /nfs/dbraw/zinc/60/76/16/1132607616.db2.gz LAXHBMLWRONMRL-HNNXBMFYSA-N 0 1 297.851 3.817 20 0 CHADMN CSc1cccc(Cl)c1CN(C)CC1(C)COC1 ZINC001233352487 1132607935 /nfs/dbraw/zinc/60/79/35/1132607935.db2.gz HCDZERRZKXAGGV-UHFFFAOYSA-N 0 1 285.840 3.530 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cnc3cccc(Cl)n23)C[C@@H]1C ZINC001233356663 1132610236 /nfs/dbraw/zinc/61/02/36/1132610236.db2.gz UTSBRYGHRXVITB-OLZOCXBDSA-N 0 1 291.826 3.856 20 0 CHADMN Clc1cccc2ncc(CN3C4CCCC3CCC4)n21 ZINC001233359762 1132610496 /nfs/dbraw/zinc/61/04/96/1132610496.db2.gz KYYBOKNZYUIUIQ-UHFFFAOYSA-N 0 1 289.810 3.895 20 0 CHADMN Cc1ncc(CN2CCC3(CC2)O[C@H](C)c2ccccc23)o1 ZINC001233368413 1132611256 /nfs/dbraw/zinc/61/12/56/1132611256.db2.gz OEBDPDIEVGWWBI-CYBMUJFWSA-N 0 1 298.386 3.566 20 0 CHADMN CCN(Cc1cnc(C)o1)Cc1ccc(C)c(C)c1 ZINC001233368138 1132611692 /nfs/dbraw/zinc/61/16/92/1132611692.db2.gz ZCLQAAWHZUYJKV-UHFFFAOYSA-N 0 1 258.365 3.622 20 0 CHADMN C[C@]1(F)CCCCN(Cc2ccc(N)cc2Cl)C1 ZINC001233374270 1132611809 /nfs/dbraw/zinc/61/18/09/1132611809.db2.gz XALCWDVCPRXKPN-AWEZNQCLSA-N 0 1 270.779 3.636 20 0 CHADMN Nc1ccc(CN2CC[C@H]2c2ccccc2)c(Cl)c1 ZINC001233376605 1132612923 /nfs/dbraw/zinc/61/29/23/1132612923.db2.gz RGOOFAXYFVFOST-INIZCTEOSA-N 0 1 272.779 3.869 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2N)cc1C ZINC001233382456 1132614389 /nfs/dbraw/zinc/61/43/89/1132614389.db2.gz VSTNSZRSFYPNEX-UHFFFAOYSA-N 0 1 290.357 3.796 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(F)c(F)cc2N)cc1C ZINC001233382456 1132614391 /nfs/dbraw/zinc/61/43/91/1132614391.db2.gz VSTNSZRSFYPNEX-UHFFFAOYSA-N 0 1 290.357 3.796 20 0 CHADMN CC(C)N(C)C(=O)c1cccc2[nH]c(-c3ccccc3)nc21 ZINC001154484054 1132616728 /nfs/dbraw/zinc/61/67/28/1132616728.db2.gz OYVZETVXEHGZSU-UHFFFAOYSA-N 0 1 293.370 3.710 20 0 CHADMN Clc1ccn2cc(CN3CCC[C@H]4CCC[C@@H]43)nc2c1 ZINC001233391316 1132616914 /nfs/dbraw/zinc/61/69/14/1132616914.db2.gz CGQKIKKLFURXMJ-DOMZBBRYSA-N 0 1 289.810 3.752 20 0 CHADMN COc1ccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c(Cl)c1[O-] ZINC001233398127 1132617028 /nfs/dbraw/zinc/61/70/28/1132617028.db2.gz ZOSGHBHYKDFQMB-VXGBXAGGSA-N 0 1 295.810 3.676 20 0 CHADMN Clc1cccn2cc(CN3CCC[C@H]4CCC[C@H]43)nc12 ZINC001233423100 1132620154 /nfs/dbraw/zinc/62/01/54/1132620154.db2.gz HQKRJVWWBRYPSM-IUODEOHRSA-N 0 1 289.810 3.752 20 0 CHADMN Cc1cc(Nc2ccncc2)c(C)cc1Br ZINC001173883156 1132623044 /nfs/dbraw/zinc/62/30/44/1132623044.db2.gz AJVUHGDJBGUBPD-UHFFFAOYSA-N 0 1 277.165 3.626 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1cccc2ccccc21 ZINC000243784610 1132623083 /nfs/dbraw/zinc/62/30/83/1132623083.db2.gz QHGUJPPYECJBNC-UHFFFAOYSA-N 0 1 287.322 3.968 20 0 CHADMN Cc1cc(Oc2ccccc2)ncc1Nc1ccncc1 ZINC001173881441 1132623334 /nfs/dbraw/zinc/62/33/34/1132623334.db2.gz SUDQXOVBDCCJAK-UHFFFAOYSA-N 0 1 277.327 3.743 20 0 CHADMN Fc1cc(F)c(C(F)(F)F)cc1Nc1ccncc1 ZINC001173883507 1132623540 /nfs/dbraw/zinc/62/35/40/1132623540.db2.gz RILIDKNFAOKVMT-UHFFFAOYSA-N 0 1 274.192 3.544 20 0 CHADMN Fc1ccc(OC2CCCC2)c(Nc2ccncc2)c1 ZINC001173884556 1132625053 /nfs/dbraw/zinc/62/50/53/1132625053.db2.gz UMOJVXBVVAEWIK-UHFFFAOYSA-N 0 1 272.323 3.708 20 0 CHADMN Fc1cc(OCc2ccccc2)ccc1Nc1ccncc1 ZINC001173965529 1132636379 /nfs/dbraw/zinc/63/63/79/1132636379.db2.gz MKYJDOMPLMTHNX-UHFFFAOYSA-N 0 1 294.329 3.965 20 0 CHADMN Cn1ccnc1Nc1ccc(OCc2ccccc2)cc1F ZINC001173966026 1132636526 /nfs/dbraw/zinc/63/65/26/1132636526.db2.gz ZYPVBAGYJIMCRS-UHFFFAOYSA-N 0 1 297.333 3.882 20 0 CHADMN Clc1cccc2nc(CN3C[C@@H]4CCCC[C@H]4C3)cn21 ZINC001233561946 1132637936 /nfs/dbraw/zinc/63/79/36/1132637936.db2.gz ATTCFJDURBYWQU-STQMWFEESA-N 0 1 289.810 3.610 20 0 CHADMN Cc1cnc(NCCc2ccc(C(F)(F)F)nc2)cc1C ZINC001155146110 1132642242 /nfs/dbraw/zinc/64/22/42/1132642242.db2.gz UETKHQHKEZKIRN-UHFFFAOYSA-N 0 1 295.308 3.767 20 0 CHADMN C[C@H]1CCCCCN1Cc1cn2c(cccc2Cl)n1 ZINC001233592591 1132643660 /nfs/dbraw/zinc/64/36/60/1132643660.db2.gz QCHRAESBSBNBPQ-LBPRGKRZSA-N 0 1 277.799 3.752 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cn2c(cccc2Cl)n1 ZINC001233592444 1132644143 /nfs/dbraw/zinc/64/41/43/1132644143.db2.gz QCHRAESBSBNBPQ-GFCCVEGCSA-N 0 1 277.799 3.752 20 0 CHADMN Clc1cccc2nc(CN3CCC[C@@H]4CCC[C@H]43)cn21 ZINC001233600160 1132646822 /nfs/dbraw/zinc/64/68/22/1132646822.db2.gz VOKFLWCKCYJIOU-GXTWGEPZSA-N 0 1 289.810 3.752 20 0 CHADMN Cn1cc(CNc2ccc3c(n2)CCC3)c2ccccc21 ZINC001155287269 1132652003 /nfs/dbraw/zinc/65/20/03/1132652003.db2.gz YRFIMJJTULAYEE-UHFFFAOYSA-N 0 1 277.371 3.674 20 0 CHADMN C[N@H+]1CC[C@@H](Oc2cc(Cl)c(Cl)c(Cl)c2)C1 ZINC001233670310 1132660408 /nfs/dbraw/zinc/66/04/08/1132660408.db2.gz OAQJLXSTEXCYKX-SSDOTTSWSA-N 0 1 280.582 3.730 20 0 CHADMN COc1ccc2c(ccnc2NCCc2cccc(O)c2)c1 ZINC001155864852 1132668289 /nfs/dbraw/zinc/66/82/89/1132668289.db2.gz FDNVDKGJZXMIAE-UHFFFAOYSA-N 0 1 294.354 3.604 20 0 CHADMN Cc1cc2ccccc2c(NC[C@@H]2Cc3ccccc3O2)n1 ZINC001155971369 1132673489 /nfs/dbraw/zinc/67/34/89/1132673489.db2.gz BEEPVAVMJLTZGR-INIZCTEOSA-N 0 1 290.366 3.959 20 0 CHADMN CCc1ccc(Cl)c(O[C@@H]2CCCN(CC)C2)c1 ZINC001233759649 1132675618 /nfs/dbraw/zinc/67/56/18/1132675618.db2.gz KAFBNXICTNIVCF-CYBMUJFWSA-N 0 1 267.800 3.766 20 0 CHADMN CCOc1ccnc(N[C@H](c2cccnc2)C(F)(F)F)c1 ZINC001156153820 1132685037 /nfs/dbraw/zinc/68/50/37/1132685037.db2.gz AIACHWQYXJYDHD-CYBMUJFWSA-N 0 1 297.280 3.591 20 0 CHADMN CC(C)(C)c1cccc(F)c1O[C@H]1CN2CCC1CC2 ZINC001233830327 1132686826 /nfs/dbraw/zinc/68/68/26/1132686826.db2.gz JFZMCARDCCSLSL-HNNXBMFYSA-N 0 1 277.383 3.596 20 0 CHADMN F[C@@H]1CCN(Cc2ccccc2Cl)CCC1(F)F ZINC001203376960 1132690543 /nfs/dbraw/zinc/69/05/43/1132690543.db2.gz CCXJPQZFKHEDMU-GFCCVEGCSA-N 0 1 277.717 3.909 20 0 CHADMN CCCC1CCC(N(C)C(=O)[C@H]2CCN2C(C)(C)C)CC1 ZINC001156748697 1132709109 /nfs/dbraw/zinc/70/91/09/1132709109.db2.gz AOTTWOGDIZQBTD-UYSNPLJNSA-N 0 1 294.483 3.677 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)c2C)o1 ZINC000246157408 1132719094 /nfs/dbraw/zinc/71/90/94/1132719094.db2.gz CANDSSQVBKZHLV-IMRBUKKESA-N 0 1 299.374 3.661 20 0 CHADMN CC(C)(C)c1ccc(N(C(=N)N)c2ccc(F)cc2)nc1 ZINC001157230972 1132725560 /nfs/dbraw/zinc/72/55/60/1132725560.db2.gz OXBSXECHDYXOCL-UHFFFAOYSA-N 0 1 286.354 3.550 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)c1c[nH]cc1C1CC1 ZINC001157242156 1132725679 /nfs/dbraw/zinc/72/56/79/1132725679.db2.gz DSWMQCNAFSPZFY-UHFFFAOYSA-N 0 1 294.713 3.643 20 0 CHADMN Cc1cnc(N[C@@H]2CCNc3ccccc32)c(C)c1 ZINC001157834484 1132746790 /nfs/dbraw/zinc/74/67/90/1132746790.db2.gz KXJDSFMOCPLJKH-OAHLLOKOSA-N 0 1 253.349 3.667 20 0 CHADMN Cc1cc(C)c(Nc2ccc3nccn3c2)c(C)c1N ZINC001174279109 1132768769 /nfs/dbraw/zinc/76/87/69/1132768769.db2.gz NOLFQJRVEFSBRA-UHFFFAOYSA-N 0 1 266.348 3.585 20 0 CHADMN Cc1c(C)c(Nc2ccc3nccn3c2)c(C)c(C)c1N ZINC001174279711 1132769957 /nfs/dbraw/zinc/76/99/57/1132769957.db2.gz HSTLLJGTZQZVFO-UHFFFAOYSA-N 0 1 280.375 3.894 20 0 CHADMN CC(=O)c1cccc(Cl)c1Nc1ccc2nccn2c1 ZINC001174279996 1132770135 /nfs/dbraw/zinc/77/01/35/1132770135.db2.gz MVPKHPGFFKNZPU-UHFFFAOYSA-N 0 1 285.734 3.934 20 0 CHADMN CC(=O)c1c(F)cc(F)cc1Nc1ccc2nccn2c1 ZINC001174280158 1132770611 /nfs/dbraw/zinc/77/06/11/1132770611.db2.gz SDRJXICNVYNPOA-UHFFFAOYSA-N 0 1 287.269 3.559 20 0 CHADMN CC(C)Oc1ccnc(N[C@H]2CCCC(F)(F)C2)c1 ZINC001158336584 1132771915 /nfs/dbraw/zinc/77/19/15/1132771915.db2.gz WUXLUXDLDAPZKI-NSHDSACASA-N 0 1 270.323 3.859 20 0 CHADMN Cc1ccc(N[C@@H](C2CCC2)C(F)(F)F)nc1C ZINC001158400402 1132774231 /nfs/dbraw/zinc/77/42/31/1132774231.db2.gz UDMKSQQLHNTFLG-LBPRGKRZSA-N 0 1 258.287 3.841 20 0 CHADMN Cc1ccc(N[C@H](C2CCC2)C(F)(F)F)nc1C ZINC001158400401 1132774513 /nfs/dbraw/zinc/77/45/13/1132774513.db2.gz UDMKSQQLHNTFLG-GFCCVEGCSA-N 0 1 258.287 3.841 20 0 CHADMN CC1(C)C(C)(C)C1(C)NC(=O)c1ccc(O)c(Cl)c1 ZINC001158412979 1132775457 /nfs/dbraw/zinc/77/54/57/1132775457.db2.gz YJZDRWUZPQKWSR-UHFFFAOYSA-N 0 1 281.783 3.600 20 0 CHADMN Nc1cc(Nc2ccc3nccn3c2)cc(C(F)(F)F)c1 ZINC001174276572 1132784896 /nfs/dbraw/zinc/78/48/96/1132784896.db2.gz HXDYFFCVYQTVQL-UHFFFAOYSA-N 0 1 292.264 3.679 20 0 CHADMN Cc1ccnc2cc(Nc3ccc4nccn4c3)ccc12 ZINC001174278263 1132785406 /nfs/dbraw/zinc/78/54/06/1132785406.db2.gz VOBAVLQXSMXXSZ-UHFFFAOYSA-N 0 1 274.327 3.935 20 0 CHADMN Clc1cncc(Nc2ccc3nccn3c2)c1Cl ZINC001174278691 1132786104 /nfs/dbraw/zinc/78/61/04/1132786104.db2.gz QFPLJFRZJMUGMQ-UHFFFAOYSA-N 0 1 279.130 3.780 20 0 CHADMN Cc1cc(CC(C)C)ncc1Nc1ccc2nccn2c1 ZINC001174278151 1132786132 /nfs/dbraw/zinc/78/61/32/1132786132.db2.gz ITXICKHUYVJEGM-UHFFFAOYSA-N 0 1 280.375 3.980 20 0 CHADMN CCCCC(=O)[C@H](C)NC(C)(C)c1ccnc(Cl)c1 ZINC001158620288 1132786329 /nfs/dbraw/zinc/78/63/29/1132786329.db2.gz YFSUQGZVCVZYJC-NSHDSACASA-N 0 1 282.815 3.708 20 0 CHADMN CN(c1nc2[nH]cnc2cc1Cl)[C@H]1CCc2ccccc21 ZINC001158920572 1132798653 /nfs/dbraw/zinc/79/86/53/1132798653.db2.gz CTXANEIXACWRAD-AWEZNQCLSA-N 0 1 298.777 3.735 20 0 CHADMN CC(C)(C)c1cc(Nc2cccc3[nH]ncc32)on1 ZINC001174342245 1132799094 /nfs/dbraw/zinc/79/90/94/1132799094.db2.gz HHEOCBBLRDFVBQ-UHFFFAOYSA-N 0 1 256.309 3.592 20 0 CHADMN Nc1cc(Nc2cccc3[nH]ncc32)cc(C(F)(F)F)c1 ZINC001174343979 1132801142 /nfs/dbraw/zinc/80/11/42/1132801142.db2.gz IDTVOMYLWNXBLM-UHFFFAOYSA-N 0 1 292.264 3.908 20 0 CHADMN c1n[nH]c2cccc(Nc3ncccc3C3CC3)c12 ZINC001174343253 1132801827 /nfs/dbraw/zinc/80/18/27/1132801827.db2.gz MCINIOCBCGZBBH-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN Cn1ccc2cc(Nc3cccc4[nH]ncc43)ccc21 ZINC001174344408 1132801964 /nfs/dbraw/zinc/80/19/64/1132801964.db2.gz ZAQLIQHKPUPRIS-UHFFFAOYSA-N 0 1 262.316 3.798 20 0 CHADMN c1n[nH]c2cccc(Nc3ccc(C4CC4)nc3)c12 ZINC001174343880 1132802333 /nfs/dbraw/zinc/80/23/33/1132802333.db2.gz RVRTWDIAVAGNFO-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN CN(c1cccc2[nH]ncc21)c1cc(Cl)ccc1N ZINC001174345858 1132803412 /nfs/dbraw/zinc/80/34/12/1132803412.db2.gz XVHSFXMIHKLTJR-UHFFFAOYSA-N 0 1 272.739 3.566 20 0 CHADMN Fc1nc(Nc2cccc3[nH]ncc32)c(F)c(Cl)c1F ZINC001174344871 1132803744 /nfs/dbraw/zinc/80/37/44/1132803744.db2.gz RLLGQLWPEOBHGQ-UHFFFAOYSA-N 0 1 298.655 3.772 20 0 CHADMN COc1ccc(Nc2cccc3[nH]ncc32)c2ncccc12 ZINC001174345471 1132803764 /nfs/dbraw/zinc/80/37/64/1132803764.db2.gz CFPUPSQFKBEGDI-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN O[C@@H]1CCCc2ccc(Nc3cccc4[nH]ncc43)cc21 ZINC001174344796 1132804057 /nfs/dbraw/zinc/80/40/57/1132804057.db2.gz DKBDXCFLTMSXHY-QGZVFWFLSA-N 0 1 279.343 3.676 20 0 CHADMN Cc1cnn(CC2CCC2)c1Nc1cccc2[nH]ncc21 ZINC001174344866 1132804329 /nfs/dbraw/zinc/80/43/29/1132804329.db2.gz QZYIVQAVUVPESG-UHFFFAOYSA-N 0 1 281.363 3.612 20 0 CHADMN Cc1cnc(N[C@@H](c2ccc(F)cc2)C(C)C)c(N)c1 ZINC001159062836 1132804547 /nfs/dbraw/zinc/80/45/47/1132804547.db2.gz UIAQBJNOVJHTPG-OAHLLOKOSA-N 0 1 273.355 3.921 20 0 CHADMN COc1ccc(Nc2cccc3[nH]ncc32)c2ccncc12 ZINC001174344773 1132804917 /nfs/dbraw/zinc/80/49/17/1132804917.db2.gz CMOLCPQMSKHWMJ-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN COc1ccc(C(C)=O)c(Nc2cccc3[nH]ncc32)c1C ZINC001174345432 1132804994 /nfs/dbraw/zinc/80/49/94/1132804994.db2.gz AJVPDSRZOZXQSH-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN CCOc1ccc(Nc2cccc3[nH]ncc32)c(F)c1 ZINC001174345611 1132805112 /nfs/dbraw/zinc/80/51/12/1132805112.db2.gz JBJPTWUPCAEHGC-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN CCc1ccc(OC)c(Nc2cccc3[nH]ncc32)c1 ZINC001174347745 1132805438 /nfs/dbraw/zinc/80/54/38/1132805438.db2.gz LMIVTJLCXVSMAI-UHFFFAOYSA-N 0 1 267.332 3.878 20 0 CHADMN COc1cc(C(C)=O)c(Nc2cccc3[nH]ncc32)cc1F ZINC001174347230 1132806384 /nfs/dbraw/zinc/80/63/84/1132806384.db2.gz JMMURFPYFSAZTH-UHFFFAOYSA-N 0 1 299.305 3.657 20 0 CHADMN COc1ccc(Nc2cc([C@@H]3CCCCN3)no2)cc1C ZINC001159309627 1132827796 /nfs/dbraw/zinc/82/77/96/1132827796.db2.gz WXRDEOYPNWMFHQ-ZDUSSCGKSA-N 0 1 287.363 3.550 20 0 CHADMN COc1cc(Nc2cc([C@H]3CCCCN3)no2)ccc1C ZINC001159308079 1132828175 /nfs/dbraw/zinc/82/81/75/1132828175.db2.gz GHLSKXOYWBLKBH-CYBMUJFWSA-N 0 1 287.363 3.550 20 0 CHADMN Cn1ccc2ccc(Nc3cc([C@H]4CCCCN4)no3)cc21 ZINC001159309617 1132828548 /nfs/dbraw/zinc/82/85/48/1132828548.db2.gz WRJJZDXOYWVDON-CQSZACIVSA-N 0 1 296.374 3.725 20 0 CHADMN CCOc1ccc(Nc2cc([C@H]3CCCCN3)no2)cc1 ZINC001159309785 1132829292 /nfs/dbraw/zinc/82/92/92/1132829292.db2.gz YCLWALOCKGDFGM-CQSZACIVSA-N 0 1 287.363 3.632 20 0 CHADMN Clc1cccc(Nc2cc([C@@H]3CCCCN3)no2)c1 ZINC001159313960 1132829354 /nfs/dbraw/zinc/82/93/54/1132829354.db2.gz WUFMYMKFJDNGTG-LBPRGKRZSA-N 0 1 277.755 3.886 20 0 CHADMN C=Cc1cccc(Nc2cc([C@@H]3CCCCN3)no2)c1 ZINC001159313739 1132829732 /nfs/dbraw/zinc/82/97/32/1132829732.db2.gz SVDNFVMYWZIQPK-AWEZNQCLSA-N 0 1 269.348 3.876 20 0 CHADMN c1c(Nc2cccc(OC3CC3)c2)onc1[C@H]1CCCCN1 ZINC001159313462 1132830168 /nfs/dbraw/zinc/83/01/68/1132830168.db2.gz ORCWPEDHLPPTBL-OAHLLOKOSA-N 0 1 299.374 3.774 20 0 CHADMN Clc1ncnc2ccc(Nc3ccc4c[nH]nc4c3)cc12 ZINC001174500116 1132856384 /nfs/dbraw/zinc/85/63/84/1132856384.db2.gz ACVXNOOQNGLMFO-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1cccc(N2CCCC2)c1 ZINC001174485951 1132858652 /nfs/dbraw/zinc/85/86/52/1132858652.db2.gz YSLHDKATFZVELQ-UHFFFAOYSA-N 0 1 292.386 3.516 20 0 CHADMN Cc1cccc2ncc(Nc3cccc(N4CCCC4)c3)n21 ZINC001174487392 1132859780 /nfs/dbraw/zinc/85/97/80/1132859780.db2.gz VYCXARMIFGWWBT-UHFFFAOYSA-N 0 1 292.386 3.987 20 0 CHADMN c1ncc(-c2cccc(Nc3ccc4c[nH]nc4c3)c2)o1 ZINC001174500248 1132860608 /nfs/dbraw/zinc/86/06/08/1132860608.db2.gz MQQKDWVGFWPOKF-UHFFFAOYSA-N 0 1 276.299 3.962 20 0 CHADMN Cn1ccc2cc(Nc3ccc4c[nH]nc4c3)ccc21 ZINC001174500230 1132861401 /nfs/dbraw/zinc/86/14/01/1132861401.db2.gz LQDIYOPWQCISKZ-UHFFFAOYSA-N 0 1 262.316 3.798 20 0 CHADMN Cc1cnc(Cl)cc1Nc1ccc2c[nH]nc2c1 ZINC001174497720 1132863251 /nfs/dbraw/zinc/86/32/51/1132863251.db2.gz GWKYKLWKQLJQIK-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN COc1cccc2ncc(Nc3ccc4c[nH]nc4c3)cc21 ZINC001174498640 1132863776 /nfs/dbraw/zinc/86/37/76/1132863776.db2.gz IINPJMHBWORLDI-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN Fc1cc(Nc2ccc3[nH]ccc3c2)cc2[nH]ncc21 ZINC001159561493 1132863840 /nfs/dbraw/zinc/86/38/40/1132863840.db2.gz BHYQKANXFCHIEO-UHFFFAOYSA-N 0 1 266.279 3.927 20 0 CHADMN c1n[nH]c2cc(Nc3ncccc3N3CCCCC3)ccc12 ZINC001174499200 1132864191 /nfs/dbraw/zinc/86/41/91/1132864191.db2.gz PVDKYKRGGAOKSD-UHFFFAOYSA-N 0 1 293.374 3.692 20 0 CHADMN CC(C)(C)Oc1ncccc1Nc1cccc2[nH]ncc21 ZINC001159574387 1132864447 /nfs/dbraw/zinc/86/44/47/1132864447.db2.gz FWCAHTJPLBDPHI-UHFFFAOYSA-N 0 1 282.347 3.879 20 0 CHADMN CCOc1cc(F)cc(Nc2cccc3[nH]ncc32)c1 ZINC001159574003 1132864542 /nfs/dbraw/zinc/86/45/42/1132864542.db2.gz GEXJOHYOIXEKPC-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN O=c1ccc2cc(Nc3ccc4c[nH]nc4c3)c[nH]c-2c1 ZINC001174498633 1132864937 /nfs/dbraw/zinc/86/49/37/1132864937.db2.gz HXXJPHJJOCNLJZ-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN FC(F)(F)c1cccc(Nc2ccc3cn[nH]c3c2)n1 ZINC001174499745 1132870804 /nfs/dbraw/zinc/87/08/04/1132870804.db2.gz VXDFIZVYVWXNSL-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4c(c3)NCCC4)cc21 ZINC001159604637 1132873560 /nfs/dbraw/zinc/87/35/60/1132873560.db2.gz RKDLMNOHPFCEAA-UHFFFAOYSA-N 0 1 278.359 3.973 20 0 CHADMN c1[nH]nc2cc(Nc3ccc4cccnc4c3)ccc12 ZINC001174499883 1132874817 /nfs/dbraw/zinc/87/48/17/1132874817.db2.gz DTMOAZOCMUNWIH-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN CC(C)CCn1cc(Nc2ccc3c[nH]nc3c2)cn1 ZINC001159661703 1132885198 /nfs/dbraw/zinc/88/51/98/1132885198.db2.gz FIMASKLTUWATGW-UHFFFAOYSA-N 0 1 269.352 3.549 20 0 CHADMN Cc1cc(F)cc(Nc2cnc3cccc(C)n23)c1 ZINC001174529611 1132892464 /nfs/dbraw/zinc/89/24/64/1132892464.db2.gz FRFVHNDYCQEUOB-UHFFFAOYSA-N 0 1 255.296 3.834 20 0 CHADMN CC(=O)c1c(F)cc(F)cc1Nc1ccc2c[nH]nc2c1 ZINC001174501490 1132902307 /nfs/dbraw/zinc/90/23/07/1132902307.db2.gz VWGYJKJMMWVVKK-UHFFFAOYSA-N 0 1 287.269 3.787 20 0 CHADMN CC(=O)c1cc(Nc2ccc3c[nH]nc3c2)ccc1F ZINC001174501658 1132902817 /nfs/dbraw/zinc/90/28/17/1132902817.db2.gz DENZFUPGWWRHJR-UHFFFAOYSA-N 0 1 269.279 3.648 20 0 CHADMN Cc1nc2cc(Nc3ccc4c[nH]nc4c3)ccc2o1 ZINC001174501889 1132902963 /nfs/dbraw/zinc/90/29/63/1132902963.db2.gz MAAJQKJTSZKJME-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN COc1cc2cccnc2c(Nc2ccc3c[nH]nc3c2)c1 ZINC001174501659 1132903484 /nfs/dbraw/zinc/90/34/84/1132903484.db2.gz DFOXYPSHVXXYOC-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN COc1cc(Nc2ccc3ccn(C)c3c2)ncc1C ZINC001174518052 1132910429 /nfs/dbraw/zinc/91/04/29/1132910429.db2.gz WJFKDXINSDBNGU-UHFFFAOYSA-N 0 1 267.332 3.634 20 0 CHADMN [O-]c1c(F)c(F)ccc1Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001159899099 1132920424 /nfs/dbraw/zinc/92/04/24/1132920424.db2.gz ABVUOBMZASRNDD-ZDUSSCGKSA-N 0 1 290.313 3.839 20 0 CHADMN CC(C)C=Nc1sc(-c2ccccc2)cc1C(N)=O ZINC001174554130 1132921294 /nfs/dbraw/zinc/92/12/94/1132921294.db2.gz HZFQPQRLGVSBHB-UHFFFAOYSA-N 0 1 272.373 3.850 20 0 CHADMN COc1cc(C(=O)[O-])ccc1Nc1ccc2c[nH+]ccc2c1 ZINC001174677742 1132944827 /nfs/dbraw/zinc/94/48/27/1132944827.db2.gz QYIHKBOPIZHTCL-UHFFFAOYSA-N 0 1 294.310 3.685 20 0 CHADMN Cc1nc(OC(C)C)ccc1Nc1ccc2nc[nH]c2c1 ZINC001160224769 1132950198 /nfs/dbraw/zinc/95/01/98/1132950198.db2.gz YUESGDDXFMSLIO-UHFFFAOYSA-N 0 1 282.347 3.797 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(Cl)cc1N ZINC001160263825 1132953644 /nfs/dbraw/zinc/95/36/44/1132953644.db2.gz JBXQODQUJWXWKO-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(C)cc3N)cc12 ZINC001160338665 1132965373 /nfs/dbraw/zinc/96/53/73/1132965373.db2.gz WBQFVXVZFNEWRT-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN Cc1cnc(N[C@@H](C)c2cnc3c(C)cccn23)c(C)c1 ZINC001160683321 1132978333 /nfs/dbraw/zinc/97/83/33/1132978333.db2.gz LFAVTVJVKQSFIB-AWEZNQCLSA-N 0 1 280.375 3.828 20 0 CHADMN CCCN(CCC)C(=O)c1cc(-c2ccccc2C)[nH]n1 ZINC001160861258 1132984815 /nfs/dbraw/zinc/98/48/15/1132984815.db2.gz OMHVVBWHCQZKBM-UHFFFAOYSA-N 0 1 285.391 3.647 20 0 CHADMN O=C(NCC1(C2CCC2)CCC1)c1ccc(O)c(Cl)c1 ZINC001161046025 1132992196 /nfs/dbraw/zinc/99/21/96/1132992196.db2.gz WOARPLUTLLPIAK-UHFFFAOYSA-N 0 1 293.794 3.746 20 0 CHADMN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 ZINC001161190854 1132995287 /nfs/dbraw/zinc/99/52/87/1132995287.db2.gz CBOCFUTUGGUGEO-BRWVUGGUSA-N 0 1 294.483 3.582 20 0 CHADMN Cc1ccc(NC2(c3ccccc3Cl)COC2)nc1C ZINC001161265805 1132996670 /nfs/dbraw/zinc/99/66/70/1132996670.db2.gz ZWJKVRJMBWZHMM-UHFFFAOYSA-N 0 1 288.778 3.689 20 0 CHADMN Cc1nc2ccc(N[C@H](C)CCc3ccccc3)nc2[nH]1 ZINC001161612228 1133009037 /nfs/dbraw/zinc/00/90/37/1133009037.db2.gz FNJPXHDKEOMTMB-GFCCVEGCSA-N 0 1 280.375 3.700 20 0 CHADMN CC(C)[C@H]1N(C(=O)c2cccc(F)c2O)CC12CCCC2 ZINC001161685295 1133016492 /nfs/dbraw/zinc/01/64/92/1133016492.db2.gz CHTPMGOSFUNXKA-OAHLLOKOSA-N 0 1 291.366 3.572 20 0 CHADMN Cc1nc2cncc(NCCc3cc(C)ccc3C)c2[nH]1 ZINC001161832865 1133033508 /nfs/dbraw/zinc/03/35/08/1133033508.db2.gz UCTWNTWJEJUTTP-UHFFFAOYSA-N 0 1 280.375 3.538 20 0 CHADMN Cc1nc2ccc(NCCc3cc(C)ccc3C)nc2[nH]1 ZINC001161833062 1133033567 /nfs/dbraw/zinc/03/35/67/1133033567.db2.gz VGLQEAPVPANSHH-UHFFFAOYSA-N 0 1 280.375 3.538 20 0 CHADMN CC(C)(CC1CCC1)Nc1nc2[nH]cnc2cc1Cl ZINC001161846384 1133034920 /nfs/dbraw/zinc/03/49/20/1133034920.db2.gz FIELABYWWMUORV-UHFFFAOYSA-N 0 1 278.787 3.992 20 0 CHADMN Cc1cc(NC2CC2)nc(N[C@@H](c2ccccc2)C2CC2)n1 ZINC001161955172 1133041844 /nfs/dbraw/zinc/04/18/44/1133041844.db2.gz LXBLBKWBAKGUPN-KRWDZBQOSA-N 0 1 294.402 3.923 20 0 CHADMN Cc1cc(N2CCCC2)nc(NCC(C)(C)CC2CC2)n1 ZINC001162122176 1133051458 /nfs/dbraw/zinc/05/14/58/1133051458.db2.gz MTHNQZGDAALTLK-UHFFFAOYSA-N 0 1 288.439 3.623 20 0 CHADMN Fc1cc2[nH]cnc2cc1NC[C@@H]1CCC(F)(F)C1 ZINC001162654735 1133101115 /nfs/dbraw/zinc/10/11/15/1133101115.db2.gz DQLJHWURWGYBBH-MRVPVSSYSA-N 0 1 269.270 3.549 20 0 CHADMN CC(C)[C@H](Nc1ccc2c(n1)CCC2)c1cccnc1 ZINC001163060191 1133128359 /nfs/dbraw/zinc/12/83/59/1133128359.db2.gz ZZLDYWMJFFKUNX-KRWDZBQOSA-N 0 1 267.376 3.775 20 0 CHADMN c1cc2c(cn1)[C@@H](Nc1ccc3c(n1)CCCC3)CCC2 ZINC001163168231 1133133207 /nfs/dbraw/zinc/13/32/07/1133133207.db2.gz ZPJLEEURSBSQMW-KRWDZBQOSA-N 0 1 279.387 3.845 20 0 CHADMN COc1ccc2c(ccnc2N(C(C)C)C(C)C)c1 ZINC001163574833 1133159850 /nfs/dbraw/zinc/15/98/50/1133159850.db2.gz RDQXJRPNJUFBJB-UHFFFAOYSA-N 0 1 258.365 3.867 20 0 CHADMN Cc1cc(C)cc(CNc2ccncc2C(F)(F)F)c1 ZINC001163751389 1133171939 /nfs/dbraw/zinc/17/19/39/1133171939.db2.gz UQUPFNZISLDWBN-UHFFFAOYSA-N 0 1 280.293 3.751 20 0 CHADMN COc1ccccc1[C@H]1CCN(c2cc(C)cc(C)n2)C1 ZINC001163807579 1133176165 /nfs/dbraw/zinc/17/61/65/1133176165.db2.gz YTIMUIJZYSJLEN-HNNXBMFYSA-N 0 1 282.387 3.701 20 0 CHADMN Cc1cc(NC(C)(C)Cc2ccc(F)cc2)nc2[nH]cnc21 ZINC001163850801 1133179502 /nfs/dbraw/zinc/17/95/02/1133179502.db2.gz GPUWOLCJJWYQMR-UHFFFAOYSA-N 0 1 298.365 3.839 20 0 CHADMN CCOc1ccnc(N2CCc3ccccc3[C@H]2C)c1 ZINC001163955131 1133187816 /nfs/dbraw/zinc/18/78/16/1133187816.db2.gz MHEGBEFLEZUFFM-CYBMUJFWSA-N 0 1 268.360 3.604 20 0 CHADMN FC(F)(F)c1cnccc1NCCC[C@@H]1C=CCC1 ZINC001164056081 1133194857 /nfs/dbraw/zinc/19/48/57/1133194857.db2.gz ZEVHRRDDZBCPDT-LLVKDONJSA-N 0 1 270.298 3.681 20 0 CHADMN C[C@@H](Nc1cccc(=O)n1C)c1ccc2ccccc2c1 ZINC001164142506 1133200425 /nfs/dbraw/zinc/20/04/25/1133200425.db2.gz GEEKAUNVTKDENM-CYBMUJFWSA-N 0 1 278.355 3.712 20 0 CHADMN Cc1cc(N(C)C)ncc1NCc1cnc2ccccc2c1 ZINC001164201408 1133206287 /nfs/dbraw/zinc/20/62/87/1133206287.db2.gz FGWDYITZFDLDQG-UHFFFAOYSA-N 0 1 292.386 3.616 20 0 CHADMN Cc1nc2cc(NCCSCc3ccco3)ccc2[nH]1 ZINC001164224493 1133208961 /nfs/dbraw/zinc/20/89/61/1133208961.db2.gz WQDLUELFZUHHDA-UHFFFAOYSA-N 0 1 287.388 3.810 20 0 CHADMN CCC(C)(C)C(=O)Nc1ccc(Nc2ccncc2)cc1 ZINC001164426200 1133217876 /nfs/dbraw/zinc/21/78/76/1133217876.db2.gz ZXJCJGFZTNAGJN-UHFFFAOYSA-N 0 1 283.375 3.622 20 0 CHADMN O=C(CCCC1CC1)Nc1ccc(Nc2ccncc2)cc1 ZINC001164425141 1133218007 /nfs/dbraw/zinc/21/80/07/1133218007.db2.gz LBCCCDPFFYZHDG-UHFFFAOYSA-N 0 1 295.386 3.766 20 0 CHADMN CCc1ccc(CN2CCN(Cc3ccccc3)C[C@@H]2C)o1 ZINC001204393047 1133226771 /nfs/dbraw/zinc/22/67/71/1133226771.db2.gz NJWYKIRTFFQZRF-INIZCTEOSA-N 0 1 298.430 3.548 20 0 CHADMN CCc1ccc(CN(CC)Cc2cccc(OC)c2)o1 ZINC001204394591 1133228191 /nfs/dbraw/zinc/22/81/91/1133228191.db2.gz FUDQMHZCLWKFDZ-UHFFFAOYSA-N 0 1 273.376 3.873 20 0 CHADMN Cc1nc([C@@H](C)S[C@H](C)c2ccccc2F)n[nH]1 ZINC001165593580 1133246642 /nfs/dbraw/zinc/24/66/42/1133246642.db2.gz MOSXGZCWURILNP-RKDXNWHRSA-N 0 1 265.357 3.808 20 0 CHADMN FC(F)(F)C1CCC(Nc2cccn3cncc23)CC1 ZINC001165642177 1133247719 /nfs/dbraw/zinc/24/77/19/1133247719.db2.gz PRWDAFVTXJUZBF-UHFFFAOYSA-N 0 1 283.297 3.867 20 0 CHADMN Cc1ccc(CN(C)c2cc(OC(C)C)ccn2)cc1 ZINC001166538916 1133269984 /nfs/dbraw/zinc/26/99/84/1133269984.db2.gz KMQAFNSZOFYCCO-UHFFFAOYSA-N 0 1 270.376 3.814 20 0 CHADMN O=C(c1ccccc1)[C@H]1CCN(Cc2ccccc2F)C1 ZINC001203359545 1133317502 /nfs/dbraw/zinc/31/75/02/1133317502.db2.gz CTXGCBLUUHFJAW-INIZCTEOSA-N 0 1 283.346 3.531 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2ccccc2F)cn1 ZINC001203357500 1133317535 /nfs/dbraw/zinc/31/75/35/1133317535.db2.gz NVULAWKKULOPDW-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN COC(C)(C)[C@H]1CCCN1Cc1c(F)cccc1Cl ZINC001203406977 1133322154 /nfs/dbraw/zinc/32/21/54/1133322154.db2.gz WUWKBYQGWJJJCR-CQSZACIVSA-N 0 1 285.790 3.869 20 0 CHADMN Fc1cccc(Cl)c1CN1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001203399843 1133322860 /nfs/dbraw/zinc/32/28/60/1133322860.db2.gz PRZNWWQXMWFVTI-KOLCDFICSA-N 0 1 289.728 3.956 20 0 CHADMN C[C@H]1CCN(Cc2c(Cl)cccc2Cl)CC[C@H]1O ZINC001203416529 1133323624 /nfs/dbraw/zinc/32/36/24/1133323624.db2.gz OHCZLYYAYHUWIM-IINYFYTJSA-N 0 1 288.218 3.586 20 0 CHADMN Cc1ccc2[nH]c(NCc3cccc(F)c3F)nc2c1 ZINC001203478461 1133332540 /nfs/dbraw/zinc/33/25/40/1133332540.db2.gz AMIFJAGQOCYEQQ-UHFFFAOYSA-N 0 1 273.286 3.762 20 0 CHADMN COc1ccc(CN2Cc3ccccc3C[C@@H]2C)c(OC)c1 ZINC001203482601 1133332898 /nfs/dbraw/zinc/33/28/98/1133332898.db2.gz ZDOKRLYGKWSAEZ-AWEZNQCLSA-N 0 1 297.398 3.651 20 0 CHADMN CCOc1ccc(Nc2ccnc3cc(OC)ccc32)cn1 ZINC001203523555 1133334890 /nfs/dbraw/zinc/33/48/90/1133334890.db2.gz ROCRKJBVOAIQDE-UHFFFAOYSA-N 0 1 295.342 3.781 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(C)ns1 ZINC001203524401 1133335669 /nfs/dbraw/zinc/33/56/69/1133335669.db2.gz ZPQSCMBSDKJYEC-UHFFFAOYSA-N 0 1 271.345 3.752 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccnc1F ZINC001203519329 1133335749 /nfs/dbraw/zinc/33/57/49/1133335749.db2.gz FAVRNQJRQDMOAI-UHFFFAOYSA-N 0 1 269.279 3.521 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1c(C)ccnc1F ZINC001203522980 1133335954 /nfs/dbraw/zinc/33/59/54/1133335954.db2.gz OIEMYYHAEAZDJY-UHFFFAOYSA-N 0 1 283.306 3.830 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1c(O)cccc1OC ZINC001203527982 1133336850 /nfs/dbraw/zinc/33/68/50/1133336850.db2.gz JYCXANHWDPHCIH-UHFFFAOYSA-N 0 1 296.326 3.701 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(O)c(F)c1 ZINC001203526411 1133337766 /nfs/dbraw/zinc/33/77/66/1133337766.db2.gz WCIILWPRXTVJOO-UHFFFAOYSA-N 0 1 284.290 3.832 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1c(C)cccc1N ZINC001203526340 1133337852 /nfs/dbraw/zinc/33/78/52/1133337852.db2.gz UAVQKSGYUOBNIJ-UHFFFAOYSA-N 0 1 279.343 3.878 20 0 CHADMN COc1ccc(CN2CCC[C@@](C)(F)C2)c(C)c1C ZINC001203717306 1133358995 /nfs/dbraw/zinc/35/89/95/1133358995.db2.gz SWQSOWXHQSLKGV-MRXNPFEDSA-N 0 1 265.372 3.636 20 0 CHADMN F[C@H]1CCCN(Cc2cccc(Br)c2)CC1 ZINC001203766783 1133367063 /nfs/dbraw/zinc/36/70/63/1133367063.db2.gz GEMVLHFJPAMXIA-ZDUSSCGKSA-N 0 1 286.188 3.773 20 0 CHADMN CC1(F)CCN(Cc2cccc(Br)c2)CC1 ZINC001203765192 1133366904 /nfs/dbraw/zinc/36/69/04/1133366904.db2.gz URHOWGNMFOGVLM-UHFFFAOYSA-N 0 1 286.188 3.773 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)CC[C@H]1O ZINC001203804304 1133371076 /nfs/dbraw/zinc/37/10/76/1133371076.db2.gz OYIGRGDAQZHKIN-IINYFYTJSA-N 0 1 288.218 3.586 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)CC[C@H]1O ZINC001203804304 1133371081 /nfs/dbraw/zinc/37/10/81/1133371081.db2.gz OYIGRGDAQZHKIN-IINYFYTJSA-N 0 1 288.218 3.586 20 0 CHADMN CCCCOC(=O)[C@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC001203801373 1133371704 /nfs/dbraw/zinc/37/17/04/1133371704.db2.gz AMTYBGSZMUYDEU-AWEZNQCLSA-N 0 1 295.810 3.505 20 0 CHADMN COc1cc(CN2CC[C@@H]2C)ccc1OCc1ccccc1 ZINC001203849393 1133375705 /nfs/dbraw/zinc/37/57/05/1133375705.db2.gz ZFXOGIONIAOIDJ-HNNXBMFYSA-N 0 1 297.398 3.868 20 0 CHADMN FC(F)(F)c1cccc(CN2CCC3(CC3)C2)c1 ZINC001203885973 1133379590 /nfs/dbraw/zinc/37/95/90/1133379590.db2.gz ZALDFAKEHPALPJ-UHFFFAOYSA-N 0 1 255.283 3.691 20 0 CHADMN O=C(c1ccccc1)[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001203915083 1133382448 /nfs/dbraw/zinc/38/24/48/1133382448.db2.gz HUUHUJZGTPSTIS-INIZCTEOSA-N 0 1 283.346 3.531 20 0 CHADMN CCCCOc1ccc(CN2CCOC[C@H]2C(C)C)cc1 ZINC001203972595 1133391302 /nfs/dbraw/zinc/39/13/02/1133391302.db2.gz XLLBPHCDKYYZQL-SFHVURJKSA-N 0 1 291.435 3.722 20 0 CHADMN COc1ccc2ccccc2c1CN1CCOC[C@@H]1C(C)C ZINC001203990270 1133394716 /nfs/dbraw/zinc/39/47/16/1133394716.db2.gz XCGIOCIXDMZFFI-GOSISDBHSA-N 0 1 299.414 3.705 20 0 CHADMN C[C@@H]1CCN(Cc2ccc3ccccc3c2)CCC1=O ZINC001203997877 1133396268 /nfs/dbraw/zinc/39/62/68/1133396268.db2.gz LWDLRBUTNSWKNE-CQSZACIVSA-N 0 1 267.372 3.641 20 0 CHADMN Fc1ccc(F)c(O[C@H]2CCN(Cc3ccsc3)C2)c1 ZINC001204039254 1133402612 /nfs/dbraw/zinc/40/26/12/1133402612.db2.gz RWGSEEUVCKXBJG-ZDUSSCGKSA-N 0 1 295.354 3.680 20 0 CHADMN O=C1CCN(Cc2ccnc3ccccc23)[C@H]2CCCC[C@H]12 ZINC001204085947 1133406186 /nfs/dbraw/zinc/40/61/86/1133406186.db2.gz VCIKVQKAXLUCFI-WMZOPIPTSA-N 0 1 294.398 3.568 20 0 CHADMN F[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1 ZINC001204136634 1133410167 /nfs/dbraw/zinc/41/01/67/1133410167.db2.gz XOFYDWPWXLXGAK-QGZVFWFLSA-N 0 1 255.336 3.897 20 0 CHADMN CC(C)c1ccc(CN2CCO[C@H](C(C)C)C2)cc1 ZINC001204167891 1133412998 /nfs/dbraw/zinc/41/29/98/1133412998.db2.gz HBBDZXJGILPDMN-KRWDZBQOSA-N 0 1 261.409 3.667 20 0 CHADMN CC(C)c1ccc(CN2CCc3ccncc3C2)cc1 ZINC001204166511 1133413463 /nfs/dbraw/zinc/41/34/63/1133413463.db2.gz WTEPXOHAPWRVAC-UHFFFAOYSA-N 0 1 266.388 3.763 20 0 CHADMN C[C@H]1CN(Cc2cccc(Cl)c2Cl)CCC[C@H]1O ZINC001204181289 1133416737 /nfs/dbraw/zinc/41/67/37/1133416737.db2.gz LTZGCVJWYVFERG-GXFFZTMASA-N 0 1 288.218 3.586 20 0 CHADMN C[C@@]1(F)CCCN(Cc2ccc(F)cc2F)CC1 ZINC001204207189 1133419809 /nfs/dbraw/zinc/41/98/09/1133419809.db2.gz GOSBMMVURXKWHD-CQSZACIVSA-N 0 1 257.299 3.679 20 0 CHADMN CN(CCc1cccc(F)c1)Cc1ccc(F)cc1F ZINC001204213252 1133419897 /nfs/dbraw/zinc/41/98/97/1133419897.db2.gz OLRJMAYXNMENDN-UHFFFAOYSA-N 0 1 279.305 3.778 20 0 CHADMN Cc1cccc(CCN(C)Cc2cc(F)ccc2F)c1 ZINC001204219996 1133420963 /nfs/dbraw/zinc/42/09/63/1133420963.db2.gz UKZNSDLQKKBSKK-UHFFFAOYSA-N 0 1 275.342 3.948 20 0 CHADMN COc1ccc(CCN(C)Cc2cc(F)ccc2F)cc1 ZINC001204219961 1133421240 /nfs/dbraw/zinc/42/12/40/1133421240.db2.gz RZKUPWCSQVFMBA-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN CN(CC/C=C/c1cccnc1)Cc1cc(F)ccc1F ZINC001204220355 1133421343 /nfs/dbraw/zinc/42/13/43/1133421343.db2.gz NBEIMBGXTGVNGS-GORDUTHDSA-N 0 1 288.341 3.895 20 0 CHADMN COc1cccc(OC)c1CN(C)CCc1cccc(C)c1 ZINC001204251684 1133423591 /nfs/dbraw/zinc/42/35/91/1133423591.db2.gz BCASJEGMJHRFAM-UHFFFAOYSA-N 0 1 299.414 3.687 20 0 CHADMN COc1ccc(CN(Cc2ccccc2)C2CC2)c(F)c1 ZINC001204247789 1133423992 /nfs/dbraw/zinc/42/39/92/1133423992.db2.gz CEKSPSLHFMKAKL-UHFFFAOYSA-N 0 1 285.362 3.999 20 0 CHADMN Fc1ccc(CN2CCC[C@H](F)CC2)cc1Cl ZINC001204280160 1133427033 /nfs/dbraw/zinc/42/70/33/1133427033.db2.gz GQUNTEVLGAXVMZ-NSHDSACASA-N 0 1 259.727 3.803 20 0 CHADMN OCCN(Cc1cccs1)Cc1ccc(F)c(Cl)c1 ZINC001204283954 1133428943 /nfs/dbraw/zinc/42/89/43/1133428943.db2.gz YAPRVDLFKNLLIU-UHFFFAOYSA-N 0 1 299.798 3.535 20 0 CHADMN Cn1cc(C[N@@H+](Cc2ccco2)C2CC2)c2ccccc21 ZINC001204319555 1133436729 /nfs/dbraw/zinc/43/67/29/1133436729.db2.gz VYMYTPNNZXPLBB-UHFFFAOYSA-N 0 1 280.371 3.936 20 0 CHADMN Cn1cc(CN(Cc2ccco2)C2CC2)c2ccccc21 ZINC001204319555 1133436735 /nfs/dbraw/zinc/43/67/35/1133436735.db2.gz VYMYTPNNZXPLBB-UHFFFAOYSA-N 0 1 280.371 3.936 20 0 CHADMN Cc1ccc(CN2CC3(C2)CC(F)(F)CS3)cc1C ZINC001204355620 1133439900 /nfs/dbraw/zinc/43/99/00/1133439900.db2.gz PAKFSBQFMNGVIJ-UHFFFAOYSA-N 0 1 283.387 3.630 20 0 CHADMN COCC[C@@H]1CCCCN1Cc1ccc(F)cc1Cl ZINC001204438538 1133447113 /nfs/dbraw/zinc/44/71/13/1133447113.db2.gz URIOVEHOFYDNPE-AWEZNQCLSA-N 0 1 285.790 3.870 20 0 CHADMN CSC1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC001204437220 1133447654 /nfs/dbraw/zinc/44/76/54/1133447654.db2.gz QLAAHLOSBHEIAR-UHFFFAOYSA-N 0 1 273.804 3.807 20 0 CHADMN Fc1ccc(F)c(CN2CCC[C@H]2C2CC2)c1Cl ZINC001204450363 1133449126 /nfs/dbraw/zinc/44/91/26/1133449126.db2.gz UTUMBJRXSSSXEU-ZDUSSCGKSA-N 0 1 271.738 3.993 20 0 CHADMN CSCC[C@H](C)N(C)Cc1c(F)cc(C)cc1F ZINC001204479510 1133452403 /nfs/dbraw/zinc/45/24/03/1133452403.db2.gz IRBBTHFMLOAUMM-NSHDSACASA-N 0 1 273.392 3.847 20 0 CHADMN CCNc1ccccc1CN1CCc2ccc(OC)cc2C1 ZINC001204487785 1133453799 /nfs/dbraw/zinc/45/37/99/1133453799.db2.gz FGACIPXQCXOYGD-UHFFFAOYSA-N 0 1 296.414 3.685 20 0 CHADMN Cc1c(F)cccc1CN(C)Cc1cccc(F)c1 ZINC001204508919 1133454869 /nfs/dbraw/zinc/45/48/69/1133454869.db2.gz VKYZNMKMGDZBEZ-UHFFFAOYSA-N 0 1 261.315 3.905 20 0 CHADMN Cc1c(F)cccc1CN1CCCC[C@](C)(F)C1 ZINC001204508698 1133454973 /nfs/dbraw/zinc/45/49/73/1133454973.db2.gz RCRKPZLRIDJKBI-HNNXBMFYSA-N 0 1 253.336 3.848 20 0 CHADMN Cc1c(F)cccc1CN1CCN(C)C[C@H]1c1ccccc1 ZINC001204507142 1133455394 /nfs/dbraw/zinc/45/53/94/1133455394.db2.gz SVMSNXZJQNKXOE-IBGZPJMESA-N 0 1 298.405 3.623 20 0 CHADMN Cc1cc(C)cc(CN2CC[C@@](C)(F)[C@@H](F)C2)c1 ZINC001204519842 1133455888 /nfs/dbraw/zinc/45/58/88/1133455888.db2.gz OOTHBWGAYWUMRJ-LSDHHAIUSA-N 0 1 253.336 3.575 20 0 CHADMN COc1ccc2cc(CN3CCCC[C@H]3C(C)=O)ccc2c1 ZINC001204517645 1133456761 /nfs/dbraw/zinc/45/67/61/1133456761.db2.gz PQQYLRMEZOHYQS-IBGZPJMESA-N 0 1 297.398 3.792 20 0 CHADMN CN(C)Cc1ccc(-c2cncc(C3CC3)c2)cc1F ZINC001204599034 1133465395 /nfs/dbraw/zinc/46/53/95/1133465395.db2.gz ZYSUVSIPGIEHJN-UHFFFAOYSA-N 0 1 270.351 3.827 20 0 CHADMN CCOC(=O)[C@H]1CCCCN1C[C@H](C)c1ccc(C)cc1 ZINC001204601845 1133466332 /nfs/dbraw/zinc/46/63/32/1133466332.db2.gz PDFOTJMRPLBLRE-DOTOQJQBSA-N 0 1 289.419 3.516 20 0 CHADMN CCn1cnc(Cl)c1CN1CCC[C@@H]1C(C)(C)C ZINC001204609177 1133467210 /nfs/dbraw/zinc/46/72/10/1133467210.db2.gz OVGIEYXPVDPGOL-GFCCVEGCSA-N 0 1 269.820 3.567 20 0 CHADMN Clc1cccc(-c2ccc(CN3CC=CC3)o2)c1 ZINC001204695738 1133476187 /nfs/dbraw/zinc/47/61/87/1133476187.db2.gz ZJNWQIORKQACAR-UHFFFAOYSA-N 0 1 259.736 3.972 20 0 CHADMN c1cc2c(cc1CN1CCOC3(CCCC3)C1)CCCC2 ZINC001204690034 1133476781 /nfs/dbraw/zinc/47/67/81/1133476781.db2.gz KKHYPJITOVSRHR-UHFFFAOYSA-N 0 1 285.431 3.710 20 0 CHADMN CCC(CC)N(Cc1cn(-c2ccccc2C)nn1)C1CC1 ZINC001204714553 1133478302 /nfs/dbraw/zinc/47/83/02/1133478302.db2.gz UNHNPLTZVRXYFM-UHFFFAOYSA-N 0 1 298.434 3.729 20 0 CHADMN C[C@H]1CCC[C@H](C)[N@H+](Cc2ccc([O-])c(F)c2)C1 ZINC001204777691 1133484605 /nfs/dbraw/zinc/48/46/05/1133484605.db2.gz XJXZHMCVQGNQHO-RYUDHWBXSA-N 0 1 251.345 3.542 20 0 CHADMN c1ccc2[nH]c(CN3CC[C@H]4CCCC[C@H]4C3)nc2c1 ZINC001204785536 1133485246 /nfs/dbraw/zinc/48/52/46/1133485246.db2.gz DNFPVKRSYWRQMW-KGLIPLIRSA-N 0 1 269.392 3.575 20 0 CHADMN CN[C@H](c1nc(-c2ccnc3ccccc32)no1)C(C)(C)C ZINC001204894955 1133497549 /nfs/dbraw/zinc/49/75/49/1133497549.db2.gz AAFBPBCPVSNKPL-CQSZACIVSA-N 0 1 296.374 3.591 20 0 CHADMN CCCC1CCN(Cc2ccc(OC)cc2F)CC1 ZINC001204922134 1133500022 /nfs/dbraw/zinc/50/00/22/1133500022.db2.gz GYVJJNBMMHCZDS-UHFFFAOYSA-N 0 1 265.372 3.846 20 0 CHADMN CC[C@H](C)[C@H](CN(C)Cc1cc(F)c(F)c(F)c1)OC ZINC001204977325 1133511386 /nfs/dbraw/zinc/51/13/86/1133511386.db2.gz WABCOIVQVVCUDI-HZMBPMFUSA-N 0 1 289.341 3.597 20 0 CHADMN COc1cccc2c(CN3CCO[C@@H](C(C)C)C3)cccc12 ZINC001204977323 1133511401 /nfs/dbraw/zinc/51/14/01/1133511401.db2.gz VZCWHWTZMGEYMA-LJQANCHMSA-N 0 1 299.414 3.705 20 0 CHADMN CCCOc1ccc(CN2CC[C@@H](C)[C@H](F)C2)cc1C ZINC001204977776 1133511647 /nfs/dbraw/zinc/51/16/47/1133511647.db2.gz YXLKBUMNEKNDLU-CZUORRHYSA-N 0 1 279.399 3.964 20 0 CHADMN Cc1c(C)c(-c2cccc(CN(C)C)c2F)ccc1CO ZINC001204997337 1133514810 /nfs/dbraw/zinc/51/48/10/1133514810.db2.gz IEUAPEBFARZZRO-UHFFFAOYSA-N 0 1 287.378 3.663 20 0 CHADMN Cc1cccc(CN2CC[C@@](C)(F)[C@H](F)C2)c1C ZINC001205066962 1133523133 /nfs/dbraw/zinc/52/31/33/1133523133.db2.gz JMZPRYUBTYJNAK-HUUCEWRRSA-N 0 1 253.336 3.575 20 0 CHADMN C[C@@H]1c2cccn2CCN1Cc1cccc2c1CCC2 ZINC001205093808 1133528098 /nfs/dbraw/zinc/52/80/98/1133528098.db2.gz LRPKQAMSSXEKOH-CQSZACIVSA-N 0 1 266.388 3.554 20 0 CHADMN Cc1cc(CN2CCc3ccccc3C2)ccc1F ZINC001205154857 1133537198 /nfs/dbraw/zinc/53/71/98/1133537198.db2.gz JQZOBAOQMYCDGD-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN Nc1ccc2c(c1)[nH]nc2CN1CCC2(CCCCC2)CC1 ZINC001205170894 1133540331 /nfs/dbraw/zinc/54/03/31/1133540331.db2.gz GKORYUCFOOUKQO-UHFFFAOYSA-N 0 1 298.434 3.691 20 0 CHADMN Cc1cc(CN2CC[C@H](C(F)(F)F)C2)ccc1F ZINC001205187308 1133543459 /nfs/dbraw/zinc/54/34/59/1133543459.db2.gz XFRIKRUQKBFWTI-NSHDSACASA-N 0 1 261.262 3.518 20 0 CHADMN Cc1ccc(CN2CC[C@@H](F)C(F)(F)CC2)cc1F ZINC001205205613 1133546432 /nfs/dbraw/zinc/54/64/32/1133546432.db2.gz CQIADARTGIIKKZ-CYBMUJFWSA-N 0 1 275.289 3.703 20 0 CHADMN Cc1ccc(CN2CC[C@](CF)(C(F)(F)F)C2)cc1F ZINC001205215504 1133547835 /nfs/dbraw/zinc/54/78/35/1133547835.db2.gz RUVNBKQIUPEYGZ-CYBMUJFWSA-N 0 1 293.279 3.858 20 0 CHADMN Cc1ccc(CN2CC(c3ccccc3)C2)cc1F ZINC001205243535 1133549470 /nfs/dbraw/zinc/54/94/70/1133549470.db2.gz IXDWRTZLHVKZRS-UHFFFAOYSA-N 0 1 255.336 3.734 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cccc3[nH]ccc31)C2 ZINC001205289864 1133554592 /nfs/dbraw/zinc/55/45/92/1133554592.db2.gz OWSDTANDOVWNJB-UHFFFAOYSA-N 0 1 278.355 3.692 20 0 CHADMN Fc1cccc2c1CN(CCC1CCCCC1)CCO2 ZINC001205517054 1133584073 /nfs/dbraw/zinc/58/40/73/1133584073.db2.gz FPGOJIQLKGISAV-UHFFFAOYSA-N 0 1 277.383 3.991 20 0 CHADMN C[C@H](c1ccccn1)[N@H+]1CCC[C@H](OC2CCCC2)C1 ZINC001205566419 1133588585 /nfs/dbraw/zinc/58/85/85/1133588585.db2.gz CUONWBXNIHPIJR-ZBFHGGJFSA-N 0 1 274.408 3.566 20 0 CHADMN C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](OC2CCCC2)C1 ZINC001205566410 1133588846 /nfs/dbraw/zinc/58/88/46/1133588846.db2.gz CUONWBXNIHPIJR-GDBMZVCRSA-N 0 1 274.408 3.566 20 0 CHADMN Cc1ccc(F)c(CN2CCCC[C@@](C)(F)C2)c1 ZINC001205616795 1133595309 /nfs/dbraw/zinc/59/53/09/1133595309.db2.gz KSSRSYYWMNPGGL-OAHLLOKOSA-N 0 1 253.336 3.848 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H](OCc3ccccc3)C2)c1 ZINC001205647935 1133598464 /nfs/dbraw/zinc/59/84/64/1133598464.db2.gz OHQCKAROSOCGGZ-GOSISDBHSA-N 0 1 299.389 3.925 20 0 CHADMN C=Cc1ccc(-c2ccc(CCN3CCOCC3)cc2)cc1 ZINC001205662678 1133600156 /nfs/dbraw/zinc/60/01/56/1133600156.db2.gz DUMQARNQRVZZEG-UHFFFAOYSA-N 0 1 293.410 3.871 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1snc(OC)c1Cl ZINC001205703120 1133604947 /nfs/dbraw/zinc/60/49/47/1133604947.db2.gz WLJTYAGUTNQRQU-RKDXNWHRSA-N 0 1 274.817 3.568 20 0 CHADMN CO[C@H]1C[C@@H](N(C)Cc2ccc(Cl)c(C)c2Cl)C1 ZINC001205746772 1133609534 /nfs/dbraw/zinc/60/95/34/1133609534.db2.gz BTWSRYXPGOXOMM-TXEJJXNPSA-N 0 1 288.218 3.911 20 0 CHADMN Oc1ccc2cc(-c3ccc4cncn4c3)ccc2c1 ZINC001205764882 1133610456 /nfs/dbraw/zinc/61/04/56/1133610456.db2.gz MKLXLWYFNRQWEG-UHFFFAOYSA-N 0 1 260.296 3.860 20 0 CHADMN C[C@@H]1CCCN(Cc2cccc(Br)n2)C[C@H]1C ZINC001205941138 1133633511 /nfs/dbraw/zinc/63/35/11/1133633511.db2.gz LMAHOWIOWXOEBY-VXGBXAGGSA-N 0 1 297.240 3.712 20 0 CHADMN Cc1cc(C)c(/C=C/CN(C(C)C)C2COC2)cc1C ZINC001205959407 1133634811 /nfs/dbraw/zinc/63/48/11/1133634811.db2.gz DCDOZSHYORWTHV-VOTSOKGWSA-N 0 1 273.420 3.734 20 0 CHADMN CNC(C)(C)c1nc(-c2ccc(C)cc2C(F)(F)F)no1 ZINC001206010617 1133641482 /nfs/dbraw/zinc/64/14/82/1133641482.db2.gz PCVLQTIKINTSOD-UHFFFAOYSA-N 0 1 299.296 3.518 20 0 CHADMN CCCOc1ccc(-c2cc(N)c(C)cn2)c(F)c1 ZINC001206132192 1133662133 /nfs/dbraw/zinc/66/21/33/1133662133.db2.gz ZELMBHPXWWOVQI-UHFFFAOYSA-N 0 1 260.312 3.567 20 0 CHADMN CCOC[C@@H]1CCCCN1Cc1cc(F)cc(OCC)c1 ZINC001206239368 1133674556 /nfs/dbraw/zinc/67/45/56/1133674556.db2.gz FMYCCUQUNALGSZ-INIZCTEOSA-N 0 1 295.398 3.615 20 0 CHADMN COc1ncccc1CN(Cc1ccccc1)CC(C)C ZINC001206553701 1133717376 /nfs/dbraw/zinc/71/73/76/1133717376.db2.gz HMIPQUYZKHUCPS-UHFFFAOYSA-N 0 1 284.403 3.748 20 0 CHADMN Fc1ccc2ccc(CN3C[C@H]4CCCC[C@H]43)nc2c1F ZINC001206559623 1133718423 /nfs/dbraw/zinc/71/84/23/1133718423.db2.gz GQEOXVIMBGISIH-IUODEOHRSA-N 0 1 288.341 3.887 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1cc2n[nH]cc2c(F)c1 ZINC001206571892 1133719428 /nfs/dbraw/zinc/71/94/28/1133719428.db2.gz MNNHXJJONLSAKL-UHFFFAOYSA-N 0 1 266.279 3.554 20 0 CHADMN CCCCN(Cc1ccccc1)Cc1ncccc1OC ZINC001206636928 1133729905 /nfs/dbraw/zinc/72/99/05/1133729905.db2.gz JDOQWQMSILOJQL-UHFFFAOYSA-N 0 1 284.403 3.893 20 0 CHADMN C[C@@]1(C2CC2)CN(Cc2ccc3c(c2)CCCC3)CCO1 ZINC001206657658 1133731123 /nfs/dbraw/zinc/73/11/23/1133731123.db2.gz STUNYNOASHVLEK-IBGZPJMESA-N 0 1 285.431 3.566 20 0 CHADMN Cc1sc2ncnc(-c3cc(F)c(O)cc3F)c2c1C ZINC001206756170 1133742508 /nfs/dbraw/zinc/74/25/08/1133742508.db2.gz VMWHCTBNSWKBNA-UHFFFAOYSA-N 0 1 292.310 3.959 20 0 CHADMN COc1cccc2ccc(-c3cc(F)c(O)cc3F)nc21 ZINC001206755156 1133742568 /nfs/dbraw/zinc/74/25/68/1133742568.db2.gz GELIVXHFTPTYQW-UHFFFAOYSA-N 0 1 287.265 3.894 20 0 CHADMN COc1cccc(CN(C)Cc2ccc(C)cc2OC)c1 ZINC001206762439 1133744613 /nfs/dbraw/zinc/74/46/13/1133744613.db2.gz LKPNLCJANGPUNP-UHFFFAOYSA-N 0 1 285.387 3.644 20 0 CHADMN Oc1cc(F)c(-c2cc(OCC3CC3)ccn2)cc1F ZINC001206775754 1133747063 /nfs/dbraw/zinc/74/70/63/1133747063.db2.gz JNGVIYSVIHTVOG-UHFFFAOYSA-N 0 1 277.270 3.521 20 0 CHADMN Cc1nc(CN2CCC3(CCc4ccccc43)CC2)cs1 ZINC001206799122 1133750148 /nfs/dbraw/zinc/75/01/48/1133750148.db2.gz WLINRKLHQVQTLY-UHFFFAOYSA-N 0 1 298.455 3.932 20 0 CHADMN COc1cc2c(cc1OC)CN(CCCc1ccccc1)C2 ZINC000164017759 1133751403 /nfs/dbraw/zinc/75/14/03/1133751403.db2.gz PDCNWLGMFOGERH-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN CC[C@@H](C)N(C)Cc1cc(-c2ccc(OC)cc2)on1 ZINC001206825767 1133753047 /nfs/dbraw/zinc/75/30/47/1133753047.db2.gz QRPYENNMLHTPAC-GFCCVEGCSA-N 0 1 274.364 3.581 20 0 CHADMN CCC1CCN(Cc2cc(-c3ccccc3)on2)CC1 ZINC001206843072 1133753363 /nfs/dbraw/zinc/75/33/63/1133753363.db2.gz TXOKDSHKUKNKCL-UHFFFAOYSA-N 0 1 270.376 3.964 20 0 CHADMN CC[C@H](C)N(C)Cc1cc(-c2ccc(F)cc2)on1 ZINC001206833197 1133754672 /nfs/dbraw/zinc/75/46/72/1133754672.db2.gz XZACZBDKVXFDBF-NSHDSACASA-N 0 1 262.328 3.711 20 0 CHADMN C[C@H]1CCN(Cc2cc(-c3ccccc3)on2)[C@@H](C)C1 ZINC001206846329 1133755361 /nfs/dbraw/zinc/75/53/61/1133755361.db2.gz QPKNQTMUOYCEDW-KBPBESRZSA-N 0 1 270.376 3.962 20 0 CHADMN CN(Cc1cc(-c2ccccc2)on1)CC(C)(C)C ZINC001206844180 1133755646 /nfs/dbraw/zinc/75/56/46/1133755646.db2.gz RQWFVMZOHVYWSC-UHFFFAOYSA-N 0 1 258.365 3.820 20 0 CHADMN C[C@H]1C[C@@H]1C[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC001207044405 1133761978 /nfs/dbraw/zinc/76/19/78/1133761978.db2.gz NAIHNCWPUAEPTB-CMPLNLGQSA-N 0 1 269.310 3.720 20 0 CHADMN Cc1cc(C)cc([C@@H]2CCCN2Cc2cnc(C)cn2)c1 ZINC001207080104 1133766292 /nfs/dbraw/zinc/76/62/92/1133766292.db2.gz FQYQLUSYMFVJPV-SFHVURJKSA-N 0 1 281.403 3.739 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2cccc(C(F)F)c2)C1 ZINC001207124990 1133769323 /nfs/dbraw/zinc/76/93/23/1133769323.db2.gz GJVJDGNHGIIBHS-GWCFXTLKSA-N 0 1 257.299 3.804 20 0 CHADMN CCCO[C@H]1CCN(Cc2cccc(C(F)F)c2)C1 ZINC001207130932 1133770171 /nfs/dbraw/zinc/77/01/71/1133770171.db2.gz LGXDLGQKFHHRFT-AWEZNQCLSA-N 0 1 269.335 3.625 20 0 CHADMN Cc1cncc(CN2CCC(Oc3ccccc3C)CC2)c1 ZINC001207154374 1133771772 /nfs/dbraw/zinc/77/17/72/1133771772.db2.gz VRWRSLWFYPIENM-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN COc1cccc([C@@H]2CCCCN2Cc2ccnc(C)n2)c1 ZINC001207165814 1133772882 /nfs/dbraw/zinc/77/28/82/1133772882.db2.gz IJSAXWZVGXVAGA-SFHVURJKSA-N 0 1 297.402 3.521 20 0 CHADMN CC1=CC[C@@H](CC[N@H+]2CCc3cnccc3C2)C1(C)C ZINC001207269368 1133783603 /nfs/dbraw/zinc/78/36/03/1133783603.db2.gz RBRAWLWLUJGMFF-KRWDZBQOSA-N 0 1 270.420 3.822 20 0 CHADMN CC1(C)C[C@@H](CN2Cc3ccc(Cl)cc3C2)CCO1 ZINC001207360111 1133795038 /nfs/dbraw/zinc/79/50/38/1133795038.db2.gz CJOGDFCBPWSADB-LBPRGKRZSA-N 0 1 279.811 3.861 20 0 CHADMN CC1(C)C[C@H](CN2CCc3c4ccccc4oc3C2)CCO1 ZINC001207362510 1133796482 /nfs/dbraw/zinc/79/64/82/1133796482.db2.gz JBDHDYGJBVSWJN-CQSZACIVSA-N 0 1 299.414 3.996 20 0 CHADMN FC(F)(F)[C@H]1CCN(CCc2cccc(Cl)c2)C1 ZINC001207422889 1133798848 /nfs/dbraw/zinc/79/88/48/1133798848.db2.gz LCGAIZMKAFSCCP-NSHDSACASA-N 0 1 277.717 3.767 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCCc2ccccc2F)no1 ZINC001207489891 1133807858 /nfs/dbraw/zinc/80/78/58/1133807858.db2.gz IPNBBXWPVBHEPR-KRWDZBQOSA-N 0 1 288.366 3.892 20 0 CHADMN CC(=O)[C@@H]1CCCCN1CCc1ccc(C(C)C)cc1 ZINC001207524555 1133814920 /nfs/dbraw/zinc/81/49/20/1133814920.db2.gz YFMNLSAFKVSAHX-SFHVURJKSA-N 0 1 273.420 3.796 20 0 CHADMN C[C@@H]1CN(CC(c2ccccc2)c2ccccc2)CCC1=O ZINC001207523105 1133815186 /nfs/dbraw/zinc/81/51/86/1133815186.db2.gz SDXPRMUWFPCETI-MRXNPFEDSA-N 0 1 293.410 3.729 20 0 CHADMN C[C@H]1CCN(CCCc2ccc(Cl)cc2)CCC1=O ZINC001207592701 1133824566 /nfs/dbraw/zinc/82/45/66/1133824566.db2.gz HCKRPTGAYOIKLH-ZDUSSCGKSA-N 0 1 279.811 3.574 20 0 CHADMN CCc1ccc2c(c1)CN(C[C@H]1CC1(Cl)Cl)CC2 ZINC001207861973 1133855808 /nfs/dbraw/zinc/85/58/08/1133855808.db2.gz NADLGAXPXBZFLE-CQSZACIVSA-N 0 1 284.230 3.801 20 0 CHADMN C[C@@H](CN1CC(OCc2ccccc2)C1)c1ccccc1 ZINC001207910157 1133862185 /nfs/dbraw/zinc/86/21/85/1133862185.db2.gz KSZMRJBOQUTEAS-INIZCTEOSA-N 0 1 281.399 3.691 20 0 CHADMN CC(C)c1ccc(C[C@@H](C)CN2CCn3cncc3C2)cc1 ZINC001207938459 1133865860 /nfs/dbraw/zinc/86/58/60/1133865860.db2.gz YWDWHMHUZNZVNN-MRXNPFEDSA-N 0 1 297.446 3.701 20 0 CHADMN Fc1cccc(F)c1CCN(Cc1ccco1)C1CC1 ZINC001208119245 1133879428 /nfs/dbraw/zinc/87/94/28/1133879428.db2.gz ZCIZZMUCVUUXPO-UHFFFAOYSA-N 0 1 277.314 3.765 20 0 CHADMN Cc1nc([C@H]2CCCCN2C[C@H]2CCC(C)=C[C@@H]2C)no1 ZINC001208172018 1133897516 /nfs/dbraw/zinc/89/75/16/1133897516.db2.gz AZRXTNQVBVSHAJ-NUEKZKHPSA-N 0 1 289.423 3.897 20 0 CHADMN CC1=C[C@@H](C)[C@@H](CN(C)Cc2cscn2)CC1 ZINC001208181548 1133900458 /nfs/dbraw/zinc/90/04/58/1133900458.db2.gz NSLIUMUDJUFGEX-CHWSQXEVSA-N 0 1 250.411 3.567 20 0 CHADMN CC1=C[C@@H](C)[C@@H](CN(C)CC(=O)c2ccccc2)CC1 ZINC001208182644 1133900524 /nfs/dbraw/zinc/90/05/24/1133900524.db2.gz UREFFEJMJJKFGW-NVXWUHKLSA-N 0 1 271.404 3.794 20 0 CHADMN CC/C=C\CCCCCN1CC[C@@H]2C[C@@]21C(=O)OCC ZINC001208192067 1133905000 /nfs/dbraw/zinc/90/50/00/1133905000.db2.gz ZSSZLGUKBGLPSA-FHYYHZITSA-N 0 1 279.424 3.541 20 0 CHADMN Fc1cccc(CCN2CCOC[C@H]2C2CCCCC2)c1 ZINC001208202736 1133907627 /nfs/dbraw/zinc/90/76/27/1133907627.db2.gz ZPHGNYCRBVQYQA-SFHVURJKSA-N 0 1 291.410 3.649 20 0 CHADMN CCSC[C@@H](C)N[C@@H](c1ccccc1)c1ccccn1 ZINC000166112190 1133914535 /nfs/dbraw/zinc/91/45/35/1133914535.db2.gz BUXVCPGSSWRKEY-PBHICJAKSA-N 0 1 286.444 3.902 20 0 CHADMN CC(C)(CCN1CCCCC12COC2)c1ccccc1 ZINC001208667889 1133925128 /nfs/dbraw/zinc/92/51/28/1133925128.db2.gz NWJRORZNSNCTOM-UHFFFAOYSA-N 0 1 273.420 3.609 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1cccs1)OCc1ccccc1 ZINC001208700327 1133931990 /nfs/dbraw/zinc/93/19/90/1133931990.db2.gz GFGWLUKWBIXJJN-AWEZNQCLSA-N 0 1 275.417 3.785 20 0 CHADMN CCOC1CN(C[C@@H](C)c2cccc3ccccc32)C1 ZINC001208703808 1133932579 /nfs/dbraw/zinc/93/25/79/1133932579.db2.gz GMCBDDUUTSPNIB-CQSZACIVSA-N 0 1 269.388 3.664 20 0 CHADMN Cc1ccn2cc(CN(C)CCCC(C)C)nc2c1 ZINC001208737596 1133939090 /nfs/dbraw/zinc/93/90/90/1133939090.db2.gz RQUVXAPCOPGLMN-UHFFFAOYSA-N 0 1 259.397 3.511 20 0 CHADMN Fc1ccc(CCCN2Cc3ccc(F)cc3C2)cc1 ZINC001208771191 1133940597 /nfs/dbraw/zinc/94/05/97/1133940597.db2.gz RTBRJIVYSFXQSE-UHFFFAOYSA-N 0 1 273.326 3.913 20 0 CHADMN C[C@]1(F)CCN(CCCc2ccc(F)cc2)C[C@@H]1F ZINC001208769370 1133941329 /nfs/dbraw/zinc/94/13/29/1133941329.db2.gz WGXHQTVVHNBGHR-GJZGRUSLSA-N 0 1 271.326 3.530 20 0 CHADMN c1ccc(CN(Cc2ccccn2)C[C@@H]2CCC=CO2)cc1 ZINC001208873569 1133957271 /nfs/dbraw/zinc/95/72/71/1133957271.db2.gz GZUVMIHYTFTSLH-IBGZPJMESA-N 0 1 294.398 3.777 20 0 CHADMN c1ccc(CN(Cc2cccnc2)C[C@@H]2CCC=CO2)cc1 ZINC001208879377 1133957404 /nfs/dbraw/zinc/95/74/04/1133957404.db2.gz FEJVUYFOTLHPTH-IBGZPJMESA-N 0 1 294.398 3.777 20 0 CHADMN Fc1cccc(F)c1[C@H]1CCCN1C[C@H]1CCC=CO1 ZINC001208883372 1133958984 /nfs/dbraw/zinc/95/89/84/1133958984.db2.gz VDGHVWPANUGCKY-IUODEOHRSA-N 0 1 279.330 3.794 20 0 CHADMN CCC(=O)C(C)(C)C[N@@H+](C)Cc1ccccc1Cl ZINC001208916870 1133961084 /nfs/dbraw/zinc/96/10/84/1133961084.db2.gz NYCNBPPKVLAAOF-UHFFFAOYSA-N 0 1 267.800 3.777 20 0 CHADMN CCC(=O)C(C)(C)CN(C)Cc1ccccc1Cl ZINC001208916870 1133961090 /nfs/dbraw/zinc/96/10/90/1133961090.db2.gz NYCNBPPKVLAAOF-UHFFFAOYSA-N 0 1 267.800 3.777 20 0 CHADMN Fc1cc(F)cc(CC[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC001209140490 1133981461 /nfs/dbraw/zinc/98/14/61/1133981461.db2.gz JWNGQTVRSNTJTD-QGZVFWFLSA-N 0 1 273.326 3.954 20 0 CHADMN Fc1cc(F)cc(CCN2CC[C@@H]2c2ccccc2)c1 ZINC001209140490 1133981465 /nfs/dbraw/zinc/98/14/65/1133981465.db2.gz JWNGQTVRSNTJTD-QGZVFWFLSA-N 0 1 273.326 3.954 20 0 CHADMN C[C@H]1c2cccn2CCN1CCCCOCc1ccccc1 ZINC001209265096 1133998437 /nfs/dbraw/zinc/99/84/37/1133998437.db2.gz MDQILKFYAAGTLY-KRWDZBQOSA-N 0 1 298.430 3.862 20 0 CHADMN Cc1cccc2c(CN3CC[C@](C)(F)[C@H](F)C3)c[nH]c21 ZINC001209481516 1134026300 /nfs/dbraw/zinc/02/63/00/1134026300.db2.gz ALECSVQPIRQBLS-ZBFHGGJFSA-N 0 1 278.346 3.748 20 0 CHADMN Cc1cccc2c(CN3CCC[C@@H]3c3cnccn3)c[nH]c21 ZINC001209487885 1134027610 /nfs/dbraw/zinc/02/76/10/1134027610.db2.gz RNQGHPSCFGSLBR-QGZVFWFLSA-N 0 1 292.386 3.603 20 0 CHADMN c1ncc(CN(Cc2ccccn2)C2CCCCC2)s1 ZINC001209549778 1134035777 /nfs/dbraw/zinc/03/57/77/1134035777.db2.gz JJPJYYGREMFGOS-UHFFFAOYSA-N 0 1 287.432 3.873 20 0 CHADMN CCN(Cc1cccs1)Cc1c2ccccc2nn1C ZINC001209540681 1134036411 /nfs/dbraw/zinc/03/64/11/1134036411.db2.gz QQQOFPHDIAMBTP-UHFFFAOYSA-N 0 1 285.416 3.657 20 0 CHADMN c1csc(C2CCN(Cc3cncs3)CC2)c1 ZINC001209549445 1134037429 /nfs/dbraw/zinc/03/74/29/1134037429.db2.gz UDLAZEVZUKGZBK-UHFFFAOYSA-N 0 1 264.419 3.584 20 0 CHADMN Cc1ccc(CN2CCc3cc(C(F)(F)F)ccc3C2)[nH]1 ZINC001209579928 1134038866 /nfs/dbraw/zinc/03/88/66/1134038866.db2.gz ZRUYYRZTYYXWFO-UHFFFAOYSA-N 0 1 294.320 3.900 20 0 CHADMN C[C@H]1CCCC[N@H+]1Cc1c[nH]c2ncc(Cl)cc12 ZINC001209591700 1134039931 /nfs/dbraw/zinc/03/99/31/1134039931.db2.gz BEXLJWHFWIVWDS-JTQLQIEISA-N 0 1 263.772 3.591 20 0 CHADMN Clc1ccc2[nH]c(C[N@H+]3CC[C@]4(CCCO4)C3)cc2c1 ZINC001209720725 1134053330 /nfs/dbraw/zinc/05/33/30/1134053330.db2.gz QHTDFOAKHTYFRA-MRXNPFEDSA-N 0 1 290.794 3.576 20 0 CHADMN COC[C@@H]1CCCC[N@H+]1Cc1cc2cc(Cl)ccc2[nH]1 ZINC001209717796 1134053653 /nfs/dbraw/zinc/05/36/53/1134053653.db2.gz DSWCVCOSZGXRGB-HNNXBMFYSA-N 0 1 292.810 3.822 20 0 CHADMN Clc1ccc2[nH]c(CN3CCC[C@@]4(CCO4)C3)cc2c1 ZINC001209722262 1134053960 /nfs/dbraw/zinc/05/39/60/1134053960.db2.gz ZEMPVORBPQJISJ-MRXNPFEDSA-N 0 1 290.794 3.576 20 0 CHADMN F[C@@H]1CCC[N@@H+](Cc2[nH]nc3ccc(Cl)cc32)CC1 ZINC001209751628 1134057848 /nfs/dbraw/zinc/05/78/48/1134057848.db2.gz SXVVFVRKEPFARE-LLVKDONJSA-N 0 1 281.762 3.540 20 0 CHADMN Cc1cccn2cc(CN3CCC[C@H]4CCCC[C@H]43)nc12 ZINC001209740642 1134057997 /nfs/dbraw/zinc/05/79/97/1134057997.db2.gz YJNAPWMXZDMRCQ-NVXWUHKLSA-N 0 1 283.419 3.797 20 0 CHADMN c1[nH]nc(-c2ccccc2)c1CN1CCCCC12CC2 ZINC001209763127 1134061849 /nfs/dbraw/zinc/06/18/49/1134061849.db2.gz QKNIHTOGUOHMOB-UHFFFAOYSA-N 0 1 267.376 3.595 20 0 CHADMN COc1c(F)ccc(Nc2nnc(C(C)C)o2)c1Cl ZINC001209799972 1134066498 /nfs/dbraw/zinc/06/64/98/1134066498.db2.gz HWOGWHPVBWMZHW-UHFFFAOYSA-N 0 1 285.706 3.738 20 0 CHADMN Oc1cccc2sc(Nc3ccc4nc[nH]c4c3)nc21 ZINC001209841522 1134079166 /nfs/dbraw/zinc/07/91/66/1134079166.db2.gz SZUHVDBTBAEJLC-UHFFFAOYSA-N 0 1 282.328 3.622 20 0 CHADMN c1nc2ccc(Nc3cc4ccccc4cn3)cc2[nH]1 ZINC001209842978 1134079551 /nfs/dbraw/zinc/07/95/51/1134079551.db2.gz SOASNVCSQWOZIW-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN COc1cc(Nc2ccc3nc[nH]c3c2)ccc1Cl ZINC001209846572 1134080359 /nfs/dbraw/zinc/08/03/59/1134080359.db2.gz GDDXDLUNCBEFHD-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN CCOC(=O)c1cccc(Nc2ccc3nc[nH]c3c2)c1C ZINC001209847628 1134080834 /nfs/dbraw/zinc/08/08/34/1134080834.db2.gz CWBHXEGBNQEXSW-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN FC(F)(F)Oc1ccncc1Nc1ccc2nc[nH]c2c1 ZINC001209847935 1134081411 /nfs/dbraw/zinc/08/14/11/1134081411.db2.gz JPKGNBKEZZGHDR-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN O=C1CCCc2ccc(Nc3ccc4nc[nH]c4c3)cc21 ZINC001209847394 1134081533 /nfs/dbraw/zinc/08/15/33/1134081533.db2.gz PQZDKNKYCCXZDB-UHFFFAOYSA-N 0 1 277.327 3.826 20 0 CHADMN COc1c(F)c(F)ccc1Nc1ccc2nc[nH]c2c1 ZINC001209849823 1134082835 /nfs/dbraw/zinc/08/28/35/1134082835.db2.gz CYBAAQJRYASVTA-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN Fc1ccc2ncc(Nc3ccc4nc[nH]c4c3)cc2c1 ZINC001209848889 1134082944 /nfs/dbraw/zinc/08/29/44/1134082944.db2.gz SQRSURRFYNBVNU-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Cn1ccc2c1cccc2Nc1ccc2nc[nH]c2c1 ZINC001209848560 1134082966 /nfs/dbraw/zinc/08/29/66/1134082966.db2.gz KKOHCDAOSMWKQU-UHFFFAOYSA-N 0 1 262.316 3.798 20 0 CHADMN CC(=O)c1oc2cccnc2c1Nc1ccc2nc[nH]c2c1 ZINC001209849244 1134083193 /nfs/dbraw/zinc/08/31/93/1134083193.db2.gz VUTBGFMOMXRDEG-UHFFFAOYSA-N 0 1 292.298 3.650 20 0 CHADMN COC(=O)c1cc(C)c(Nc2ccc3nc[nH]c3c2)cc1C ZINC001209850583 1134084022 /nfs/dbraw/zinc/08/40/22/1134084022.db2.gz CBWYWXUZUYWMRV-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN c1nc2ccc(Nc3ccc(-c4ccccn4)nc3)cc2[nH]1 ZINC001209848832 1134084373 /nfs/dbraw/zinc/08/43/73/1134084373.db2.gz RWBPGKJXEONAAV-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1nc2ccc(Nc3ccc(N4CCCC4)cc3)cc2[nH]1 ZINC001209848712 1134084426 /nfs/dbraw/zinc/08/44/26/1134084426.db2.gz PDGJMMPZAFLZDC-UHFFFAOYSA-N 0 1 278.359 3.907 20 0 CHADMN Cc1cc(Br)cc(Nc2cnc(N)cc2C)c1 ZINC001209966923 1134111014 /nfs/dbraw/zinc/11/10/14/1134111014.db2.gz JUSNGZSXRHDQSQ-UHFFFAOYSA-N 0 1 292.180 3.787 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc(OC(C)C)c1 ZINC001209967800 1134111398 /nfs/dbraw/zinc/11/13/98/1134111398.db2.gz RXZMDYYFIPAYCV-UHFFFAOYSA-N 0 1 257.337 3.503 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(OC(F)(F)F)cc1 ZINC001209966936 1134111651 /nfs/dbraw/zinc/11/16/51/1134111651.db2.gz KGIPYLLPIXGTCH-UHFFFAOYSA-N 0 1 283.253 3.614 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc(OC(F)(F)F)c1 ZINC001209966407 1134111735 /nfs/dbraw/zinc/11/17/35/1134111735.db2.gz YNIJBHUTWPACHY-UHFFFAOYSA-N 0 1 283.253 3.614 20 0 CHADMN CCCOc1ccc(Nc2cnc(N)cc2C)cc1 ZINC001209966299 1134111826 /nfs/dbraw/zinc/11/18/26/1134111826.db2.gz WPWLCHOSFWBJFA-UHFFFAOYSA-N 0 1 257.337 3.505 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(Cl)c(O)cc1Cl ZINC001209970087 1134112298 /nfs/dbraw/zinc/11/22/98/1134112298.db2.gz UEYLZIAYYKKFPP-UHFFFAOYSA-N 0 1 284.146 3.728 20 0 CHADMN COc1cc(C(F)(F)F)ccc1Nc1cnc(N)cc1C ZINC001209970540 1134112408 /nfs/dbraw/zinc/11/24/08/1134112408.db2.gz XAJKTUPVSODJFU-UHFFFAOYSA-N 0 1 297.280 3.743 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc(F)c1OCC(C)C ZINC001209970813 1134112658 /nfs/dbraw/zinc/11/26/58/1134112658.db2.gz FAVOJCKQYWHUTB-UHFFFAOYSA-N 0 1 289.354 3.890 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(Cc2ccccn2)cc1 ZINC001209969365 1134112738 /nfs/dbraw/zinc/11/27/38/1134112738.db2.gz LJTAHJKLKMKBJS-UHFFFAOYSA-N 0 1 290.370 3.702 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc(COC(C)C)c1 ZINC001209969442 1134112975 /nfs/dbraw/zinc/11/29/75/1134112975.db2.gz OHGJMUZDMMJXEH-UHFFFAOYSA-N 0 1 271.364 3.641 20 0 CHADMN Cc1cc(N)ncc1N(c1ccccc1N)C1CCCC1 ZINC001209973395 1134113814 /nfs/dbraw/zinc/11/38/14/1134113814.db2.gz YISQTHIEXQFLSQ-UHFFFAOYSA-N 0 1 282.391 3.635 20 0 CHADMN Cc1cc(Cl)cc(-n2c(N)nc3ccccc32)c1F ZINC001210024742 1134126000 /nfs/dbraw/zinc/12/60/00/1134126000.db2.gz XUALATGRGVRRNM-UHFFFAOYSA-N 0 1 275.714 3.709 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ncc(Cl)cc1F ZINC001210100324 1134145554 /nfs/dbraw/zinc/14/55/54/1134145554.db2.gz LMXODOUHRGSATM-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(=O)[nH]n1C1CCCC1 ZINC001210100562 1134145644 /nfs/dbraw/zinc/14/56/44/1134145644.db2.gz RQSUDOFYAWBHQH-UHFFFAOYSA-N 0 1 297.362 3.632 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc(-n2cccn2)c1 ZINC001210101195 1134145869 /nfs/dbraw/zinc/14/58/69/1134145869.db2.gz BEJHESXAZVTPKB-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1nsc2ncccc12 ZINC001210101087 1134146000 /nfs/dbraw/zinc/14/60/00/1134146000.db2.gz BLCKXIBJXCEUNE-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cnc(Cl)c(F)c1 ZINC001210103170 1134146875 /nfs/dbraw/zinc/14/68/75/1134146875.db2.gz XVSCGYICLORINV-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(F)cc(F)c1 ZINC001210103422 1134147905 /nfs/dbraw/zinc/14/79/05/1134147905.db2.gz ZYJPXRIBQCSXGK-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1cnn(C2CCC2)c1Nc1cc2cn[nH]c2cc1C ZINC001210103296 1134148014 /nfs/dbraw/zinc/14/80/14/1134148014.db2.gz XNHCXQNGRXSBLQ-UHFFFAOYSA-N 0 1 281.363 3.845 20 0 CHADMN Cc1ccc(N)c(N(C)c2cc3cn[nH]c3cc2C)c1 ZINC001210105039 1134148091 /nfs/dbraw/zinc/14/80/91/1134148091.db2.gz IQEJKMNYUIZYAK-UHFFFAOYSA-N 0 1 266.348 3.530 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2nccnc21 ZINC001210105330 1134148116 /nfs/dbraw/zinc/14/81/16/1134148116.db2.gz WYZDLZDRJOUQJD-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1cc(F)c(C)c(F)c1 ZINC001210106959 1134148871 /nfs/dbraw/zinc/14/88/71/1134148871.db2.gz XAKFAYACXJYCCO-UHFFFAOYSA-N 0 1 273.286 3.503 20 0 CHADMN COc1cc(Nc2ccc(F)c(F)c2C)ncc1C ZINC001210128523 1134152413 /nfs/dbraw/zinc/15/24/13/1134152413.db2.gz DCLYNYNDHOFBGK-UHFFFAOYSA-N 0 1 264.275 3.729 20 0 CHADMN Cc1c(Cl)c(Cl)ccc1Nc1cncn1C ZINC001210460245 1134220032 /nfs/dbraw/zinc/22/00/32/1134220032.db2.gz MIJKZWLPWMHQAJ-UHFFFAOYSA-N 0 1 256.136 3.779 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc2ocnc2c1 ZINC001210571827 1134252983 /nfs/dbraw/zinc/25/29/83/1134252983.db2.gz ABFDUYMPVMFLIF-UHFFFAOYSA-N 0 1 282.278 3.667 20 0 CHADMN Cc1cc(C)nc(Nc2ccc(C(C)(C)O)cc2)c1 ZINC001210614117 1134260609 /nfs/dbraw/zinc/26/06/09/1134260609.db2.gz HECWJPQEJOIGTK-UHFFFAOYSA-N 0 1 256.349 3.669 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1cc2cc(F)ccc2o1 ZINC001210725673 1134283540 /nfs/dbraw/zinc/28/35/40/1134283540.db2.gz ZAJKHHWMSIYZKG-UHFFFAOYSA-N 0 1 281.290 3.801 20 0 CHADMN CCC(C)=Nc1ccccc1S(=O)(=O)C1CCCC1 ZINC001210798831 1134297560 /nfs/dbraw/zinc/29/75/60/1134297560.db2.gz ZOKMMCBHIIYINV-KGVSQERTSA-N 0 1 279.405 3.739 20 0 CHADMN Cc1cnc(Nc2cc(Cl)c(O)c(Cl)c2)c(C)n1 ZINC001210924390 1134328516 /nfs/dbraw/zinc/32/85/16/1134328516.db2.gz LAJPVWDIAKTBBR-UHFFFAOYSA-N 0 1 284.146 3.849 20 0 CHADMN CCS(=O)(=O)c1ccc(N=C(C)c2ccccc2)cc1 ZINC001210984896 1134342612 /nfs/dbraw/zinc/34/26/12/1134342612.db2.gz DWPOPERUICVTEN-UHFFFAOYSA-N 0 1 287.384 3.563 20 0 CHADMN Cn1cncc1Nc1ccc(-c2ccc(F)cc2)cc1 ZINC001211198891 1134390010 /nfs/dbraw/zinc/39/00/10/1134390010.db2.gz XSACCUMWUDAMCU-UHFFFAOYSA-N 0 1 267.307 3.970 20 0 CHADMN Cc1cc(Nc2cncn2C)cc(Cl)c1Cl ZINC001211254572 1134400589 /nfs/dbraw/zinc/40/05/89/1134400589.db2.gz WGTISVHCFBSQDM-UHFFFAOYSA-N 0 1 256.136 3.779 20 0 CHADMN Cc1ncn(C)c1Nc1cc(C)ccc1OC(C)C ZINC001211278978 1134401850 /nfs/dbraw/zinc/40/18/50/1134401850.db2.gz WQVPBSKEQGPUGR-UHFFFAOYSA-N 0 1 259.353 3.568 20 0 CHADMN COc1ccc(OC)c(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213073411 1134420997 /nfs/dbraw/zinc/42/09/97/1134420997.db2.gz OPZXAISIGKDQHF-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN COC(=O)c1c(F)cccc1Nc1ccc2[nH]c(C)nc2c1 ZINC001213074465 1134421142 /nfs/dbraw/zinc/42/11/42/1134421142.db2.gz VVNFKWWFCUKSBR-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN COc1cccc(C(C)=O)c1Nc1ccc2[nH]c(C)nc2c1 ZINC001213075069 1134421786 /nfs/dbraw/zinc/42/17/86/1134421786.db2.gz BMLZJNFNFRVZOM-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN COc1cccc(C(C)=O)c1Nc1ccc2nc(C)[nH]c2c1 ZINC001213075069 1134421788 /nfs/dbraw/zinc/42/17/88/1134421788.db2.gz BMLZJNFNFRVZOM-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN COc1cc(F)c(F)cc1Nc1ccc2[nH]c(C)nc2c1 ZINC001213075074 1134421949 /nfs/dbraw/zinc/42/19/49/1134421949.db2.gz BRQLKWSWUUOVTG-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN CCc1ccc(O)c(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213074501 1134422074 /nfs/dbraw/zinc/42/20/74/1134422074.db2.gz XWGXHBVRLIBWAI-UHFFFAOYSA-N 0 1 267.332 3.883 20 0 CHADMN Cc1nc2cc(Nc3cccc4ccc(=O)[nH]c43)ccc2[nH]1 ZINC001213077249 1134423480 /nfs/dbraw/zinc/42/34/80/1134423480.db2.gz ODFZHZVODXKKJX-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1nn(-c2ccnc(C(C)(C)C)c2)c2cc(N)cc(F)c12 ZINC001213168693 1134434215 /nfs/dbraw/zinc/43/42/15/1134434215.db2.gz PHMGWVIMJWXBBE-UHFFFAOYSA-N 0 1 298.365 3.748 20 0 CHADMN COc1cc(Nc2ccc(OCC(F)F)cc2)ncc1C ZINC001213304934 1134439958 /nfs/dbraw/zinc/43/99/58/1134439958.db2.gz BWQRFMYRVQDWJI-UHFFFAOYSA-N 0 1 294.301 3.786 20 0 CHADMN Nc1nc2ccccc2n1-c1c(F)cccc1C1CC1 ZINC001213448150 1134449356 /nfs/dbraw/zinc/44/93/56/1134449356.db2.gz XGPVPQRCXWMDQU-UHFFFAOYSA-N 0 1 267.307 3.624 20 0 CHADMN Cc1ncn(C)c1Nc1c(C)cc(C2CC2)cc1F ZINC001213466791 1134450988 /nfs/dbraw/zinc/45/09/88/1134450988.db2.gz BTBTXAPRIIPXTH-UHFFFAOYSA-N 0 1 259.328 3.797 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)OC2CCCCC2)n[nH]1 ZINC001213854003 1134491448 /nfs/dbraw/zinc/49/14/48/1134491448.db2.gz LELJEUZDHODUJN-HNNXBMFYSA-N 0 1 291.395 3.714 20 0 CHADMN CC(=O)c1cc(Nc2c(C)nc3ccc(F)cn32)cs1 ZINC001214778340 1134571419 /nfs/dbraw/zinc/57/14/19/1134571419.db2.gz NQNHQHKCHZTWTO-UHFFFAOYSA-N 0 1 289.335 3.790 20 0 CHADMN Oc1c(Cl)ccc(Nc2nc(F)c(F)cc2F)c1F ZINC001214794098 1134572983 /nfs/dbraw/zinc/57/29/83/1134572983.db2.gz YMALZYGOKABMOA-UHFFFAOYSA-N 0 1 292.619 3.741 20 0 CHADMN Nc1cc(F)c(F)cc1Nc1ccc(Cl)c(O)c1F ZINC001214798903 1134574622 /nfs/dbraw/zinc/57/46/22/1134574622.db2.gz AOAMONZQAYIMKE-UHFFFAOYSA-N 0 1 288.656 3.789 20 0 CHADMN CC(=O)Nc1cccc(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214799144 1134575409 /nfs/dbraw/zinc/57/54/09/1134575409.db2.gz NVYDHKCQSPUHGU-UHFFFAOYSA-N 0 1 294.713 3.887 20 0 CHADMN C[C@H](NCc1cnns1)c1cccc2ccccc21 ZINC000400236582 1134580513 /nfs/dbraw/zinc/58/05/13/1134580513.db2.gz REUSKRRWUAYFMN-NSHDSACASA-N 0 1 269.373 3.542 20 0 CHADMN CCc1cccc(-c2noc(-c3[nH]nc(C4CC4)c3F)n2)c1 ZINC001214932717 1134581511 /nfs/dbraw/zinc/58/15/11/1134581511.db2.gz QCNZYGNLTXLJDG-UHFFFAOYSA-N 0 1 298.321 3.706 20 0 CHADMN Cc1ncc(Nc2c(F)ccc(OC(C)C)c2F)n1C ZINC001215174137 1134604546 /nfs/dbraw/zinc/60/45/46/1134604546.db2.gz BFBIBDJSCHYFLN-UHFFFAOYSA-N 0 1 281.306 3.538 20 0 CHADMN CC[C@H]1CCCC[C@@H]1C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000401465580 1134613890 /nfs/dbraw/zinc/61/38/90/1134613890.db2.gz XFFIIJBKAQEQDX-UONOGXRCSA-N 0 1 267.413 3.532 20 0 CHADMN COc1cc(N[C@H]2CCCc3[nH]ncc32)ccc1Cl ZINC000401606532 1134617959 /nfs/dbraw/zinc/61/79/59/1134617959.db2.gz IZZOTRVOTJIGKG-LBPRGKRZSA-N 0 1 277.755 3.561 20 0 CHADMN Cc1cc(Nc2ccc(F)c3n[nH]cc32)c2ccccc2n1 ZINC001215366509 1134618645 /nfs/dbraw/zinc/61/86/45/1134618645.db2.gz TXTDPJIMDCKFOQ-UHFFFAOYSA-N 0 1 292.317 3.724 20 0 CHADMN Cc1ncn(-c2cc(OCc3ccccc3)ccc2C)c1N ZINC001215407211 1134625219 /nfs/dbraw/zinc/62/52/19/1134625219.db2.gz UPAXOLYJDYAWGE-UHFFFAOYSA-N 0 1 293.370 3.650 20 0 CHADMN CSc1ccc(F)cc1-n1c(N)nc2c1cccc2C ZINC001215444658 1134628116 /nfs/dbraw/zinc/62/81/16/1134628116.db2.gz VKCJBNOGZFVIHO-UHFFFAOYSA-N 0 1 287.363 3.777 20 0 CHADMN Fc1cnc(Nc2cc3n[nH]cc3c(F)c2)c(Cl)c1 ZINC001215554167 1134639208 /nfs/dbraw/zinc/63/92/08/1134639208.db2.gz XRMPZFOWQIRYQY-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN Fc1cc(Nc2ccc3ccccc3n2)cc2[nH]ncc21 ZINC001215552402 1134639871 /nfs/dbraw/zinc/63/98/71/1134639871.db2.gz KODBGWGJYXEDKI-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN COc1cc(F)c(Nc2cc3[nH]ncc3c(F)c2)c(F)c1 ZINC001215555245 1134640502 /nfs/dbraw/zinc/64/05/02/1134640502.db2.gz FXBFTJOTGDUXHS-UHFFFAOYSA-N 0 1 293.248 3.732 20 0 CHADMN OCc1cccc(Cl)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555190 1134640517 /nfs/dbraw/zinc/64/05/17/1134640517.db2.gz DVOJNUGJXFUJTE-UHFFFAOYSA-N 0 1 291.713 3.591 20 0 CHADMN COc1cccc(F)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555413 1134641292 /nfs/dbraw/zinc/64/12/92/1134641292.db2.gz JLPQYQHODHIBBZ-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN COc1cc(Nc2cc3[nH]ncc3c(F)c2)ccc1C(C)=O ZINC001215557158 1134642011 /nfs/dbraw/zinc/64/20/11/1134642011.db2.gz SSXCMEJNHRXLQD-UHFFFAOYSA-N 0 1 299.305 3.657 20 0 CHADMN COCc1cccc(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215556357 1134642395 /nfs/dbraw/zinc/64/23/95/1134642395.db2.gz BQKPJKQVHVCWFN-UHFFFAOYSA-N 0 1 271.295 3.592 20 0 CHADMN Nc1cc(F)cc(Nc2cc3[nH]ncc3c(F)c2)c1Cl ZINC001215559689 1134643716 /nfs/dbraw/zinc/64/37/16/1134643716.db2.gz VXVOBDWKLFGTAI-UHFFFAOYSA-N 0 1 294.692 3.820 20 0 CHADMN Cc1ncn(C)c1Nc1c(C)cc(OC(C)C)cc1C ZINC001215687394 1134659931 /nfs/dbraw/zinc/65/99/31/1134659931.db2.gz CYKMMVNZOAFYPU-UHFFFAOYSA-N 0 1 273.380 3.876 20 0 CHADMN COc1nccc(Nc2ccc(C)c3[nH]ncc32)c1Cl ZINC001215754142 1134673943 /nfs/dbraw/zinc/67/39/43/1134673943.db2.gz LRVDJRSDXNVGCM-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN COc1cccc(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215756646 1134675014 /nfs/dbraw/zinc/67/50/14/1134675014.db2.gz FWRXYUBCXZXVRD-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cc1ccc(Nc2ccc(O)c(Cl)c2)c2cn[nH]c21 ZINC001215758391 1134675728 /nfs/dbraw/zinc/67/57/28/1134675728.db2.gz SFATYMXUMLTMOB-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN CCN(c1ccc(C)c2[nH]ncc21)c1ccccc1N ZINC001215758176 1134676210 /nfs/dbraw/zinc/67/62/10/1134676210.db2.gz INWANOXHQCNSIF-UHFFFAOYSA-N 0 1 266.348 3.612 20 0 CHADMN Cc1ccc(Nc2c(C)cccc2O)c2cn[nH]c21 ZINC001215758395 1134676465 /nfs/dbraw/zinc/67/64/65/1134676465.db2.gz SHQWNQQPZWLAFK-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1ccc(Nc2cc(C)c(N)cc2C)c2cn[nH]c21 ZINC001215759771 1134677411 /nfs/dbraw/zinc/67/74/11/1134677411.db2.gz UUTMZCJIWHMSMH-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN Cc1ccc(Nc2ccc(F)c(F)c2O)c2cn[nH]c21 ZINC001215759156 1134677440 /nfs/dbraw/zinc/67/74/40/1134677440.db2.gz HIQSTUZJQQRHTL-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN COCc1cccc(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215759830 1134677558 /nfs/dbraw/zinc/67/75/58/1134677558.db2.gz XUKBKDOHRZQDNG-UHFFFAOYSA-N 0 1 267.332 3.761 20 0 CHADMN Cc1ccc(Nc2cc(N)ccc2C)c2cn[nH]c21 ZINC001215759488 1134677589 /nfs/dbraw/zinc/67/75/89/1134677589.db2.gz MLOUQJZUKUGFTO-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN COC(=O)c1cc(Nc2ccc(C)c3[nH]ncc32)ccc1F ZINC001215758789 1134677681 /nfs/dbraw/zinc/67/76/81/1134677681.db2.gz XUOVNMUPLSZNLN-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1ccc(Nc2cc(F)c(F)cc2O)c2cn[nH]c21 ZINC001215759694 1134677945 /nfs/dbraw/zinc/67/79/45/1134677945.db2.gz QJNCLHUZZDIKJH-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN CCc1cccc(O)c1Nc1ccc(C)c2[nH]ncc21 ZINC001215760663 1134678360 /nfs/dbraw/zinc/67/83/60/1134678360.db2.gz UHPSIWRZEPOTJL-UHFFFAOYSA-N 0 1 267.332 3.883 20 0 CHADMN Cc1ccc(Nc2cc(F)cc(F)c2O)c2cn[nH]c21 ZINC001215760514 1134678620 /nfs/dbraw/zinc/67/86/20/1134678620.db2.gz PJLZIFVALDZCJA-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN COc1c(F)c(F)ccc1Nc1ccc(C)c2[nH]ncc21 ZINC001215760528 1134678794 /nfs/dbraw/zinc/67/87/94/1134678794.db2.gz PYTZMRYBZJCBMS-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Oc1cccc(F)c1-c1nc(-c2cc(F)ccc2F)no1 ZINC001215776127 1134683665 /nfs/dbraw/zinc/68/36/65/1134683665.db2.gz IRYPIWKARGBYAM-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN CCOCc1cncc(Nc2cc(C)nc3ccccc32)c1 ZINC001215785971 1134685458 /nfs/dbraw/zinc/68/54/58/1134685458.db2.gz TUISTRAXMSMYQQ-UHFFFAOYSA-N 0 1 293.370 3.640 20 0 CHADMN Clc1cc2[nH]ncc2c(Nc2ccc3ncncc3c2)c1 ZINC001215861604 1134705427 /nfs/dbraw/zinc/70/54/27/1134705427.db2.gz JBYKGITZIPAEFJ-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Cc1ccc(CO)cc1Nc1cc(Cl)cc2[nH]ncc21 ZINC001215859529 1134705444 /nfs/dbraw/zinc/70/54/44/1134705444.db2.gz MMODZXCMVFAROR-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1cc(N)c(F)cc1Nc1cc(Cl)cc2[nH]ncc21 ZINC001215861359 1134705797 /nfs/dbraw/zinc/70/57/97/1134705797.db2.gz CIBGLJLDGDHNFR-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN Cc1cccc(CO)c1Nc1cc(Cl)cc2[nH]ncc21 ZINC001215861354 1134705924 /nfs/dbraw/zinc/70/59/24/1134705924.db2.gz CAMODSDTRBMLHN-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1cccc(-c2noc(-c3cccc(F)c3O)n2)c1C ZINC001215863385 1134707028 /nfs/dbraw/zinc/70/70/28/1134707028.db2.gz YZROZXXDPXMHDY-UHFFFAOYSA-N 0 1 284.290 3.865 20 0 CHADMN CC(C)(C)c1nnc(Nc2cc(C3CC3)cnc2F)s1 ZINC001215953438 1134730445 /nfs/dbraw/zinc/73/04/45/1134730445.db2.gz RBGZAGJFTDYWMI-UHFFFAOYSA-N 0 1 292.383 3.991 20 0 CHADMN CC(C)c1cc(Nc2ccc3nccn3c2)ccc1N ZINC001216042693 1134757818 /nfs/dbraw/zinc/75/78/18/1134757818.db2.gz WANSUNPRYJCCFE-UHFFFAOYSA-N 0 1 266.348 3.784 20 0 CHADMN CN(C)Cc1cccc(Nc2cccs2)c1F ZINC001216227647 1134813003 /nfs/dbraw/zinc/81/30/03/1134813003.db2.gz MYTGGPAOOROFDZ-UHFFFAOYSA-N 0 1 250.342 3.692 20 0 CHADMN CN(C)Cc1cccc(Nc2nc3ccccc3n2C)c1F ZINC001216226997 1134813485 /nfs/dbraw/zinc/81/34/85/1134813485.db2.gz LBIUENHPJCKSRR-UHFFFAOYSA-N 0 1 298.365 3.518 20 0 CHADMN CN(C)Cc1cccc(Nc2cncc(Cl)c2)c1F ZINC001216227416 1134813808 /nfs/dbraw/zinc/81/38/08/1134813808.db2.gz GFWGYWAUBLPHFT-UHFFFAOYSA-N 0 1 279.746 3.679 20 0 CHADMN CN(C)Cc1cccc(Nc2cccc(N(C)C)c2)c1F ZINC001216231577 1134814191 /nfs/dbraw/zinc/81/41/91/1134814191.db2.gz FECDOPWXDDSZDY-UHFFFAOYSA-N 0 1 287.382 3.697 20 0 CHADMN CN(C)Cc1cccc(N2CCCc3cccc(N)c32)c1F ZINC001216232358 1134817354 /nfs/dbraw/zinc/81/73/54/1134817354.db2.gz HLKICYKGKOTDMZ-UHFFFAOYSA-N 0 1 299.393 3.554 20 0 CHADMN Cc1cc(Nc2cccc(O)c2C)c2ccccc2n1 ZINC001216317262 1134850871 /nfs/dbraw/zinc/85/08/71/1134850871.db2.gz QDXJJHYJUIZWRC-UHFFFAOYSA-N 0 1 264.328 3.723 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cc(Cl)ccc1O ZINC001216398600 1134882367 /nfs/dbraw/zinc/88/23/67/1134882367.db2.gz HWUMLYOSXHQZRN-UHFFFAOYSA-N 0 1 291.713 3.884 20 0 CHADMN Cc1ccc(Nc2cncn2Cc2ccccc2)cc1 ZINC001216551966 1134918140 /nfs/dbraw/zinc/91/81/40/1134918140.db2.gz FFCDPLXAGKBQNW-UHFFFAOYSA-N 0 1 263.344 3.983 20 0 CHADMN Cc1cc(C)nc(Nc2cncn2Cc2ccccc2)c1 ZINC001216549087 1134918980 /nfs/dbraw/zinc/91/89/80/1134918980.db2.gz PRMBCYKSMCRVFB-UHFFFAOYSA-N 0 1 278.359 3.687 20 0 CHADMN CC(C)c1nccnc1Nc1cncn1Cc1ccccc1 ZINC001216552340 1134919109 /nfs/dbraw/zinc/91/91/09/1134919109.db2.gz OICNMNODFRAHOY-UHFFFAOYSA-N 0 1 293.374 3.588 20 0 CHADMN Cc1cc(N)ccc1Nc1cncn1Cc1ccccc1 ZINC001216553603 1134919794 /nfs/dbraw/zinc/91/97/94/1134919794.db2.gz PWBXBCUDRGNORP-UHFFFAOYSA-N 0 1 278.359 3.566 20 0 CHADMN Cc1cc(C)c(N)c(Nc2cncn2Cc2ccccc2)c1 ZINC001216553842 1134919834 /nfs/dbraw/zinc/91/98/34/1134919834.db2.gz PNBOSYMZGOCKQL-UHFFFAOYSA-N 0 1 292.386 3.874 20 0 CHADMN C[C@H]1CN(Cc2cnc(Cl)s2)CCc2ccccc21 ZINC000404878781 1134950749 /nfs/dbraw/zinc/95/07/49/1134950749.db2.gz YPLUCXUBCYEWKH-NSHDSACASA-N 0 1 292.835 3.958 20 0 CHADMN Oc1ccc(F)c(F)c1-c1nc(-c2ccccc2F)no1 ZINC001216928463 1134954579 /nfs/dbraw/zinc/95/45/79/1134954579.db2.gz CZNZAPOUFQNPGF-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN Cc1ccc(-c2noc(-c3ccc4[nH]cnc4c3)n2)cc1F ZINC001217130730 1134963637 /nfs/dbraw/zinc/96/36/37/1134963637.db2.gz CKVGDSGKOLTHEB-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1cc(-c2noc(-c3ccc4[nH]cnc4c3)n2)ccc1F ZINC001217131502 1134964585 /nfs/dbraw/zinc/96/45/85/1134964585.db2.gz PHHBGDAKEHZTGR-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1cccc(-c2noc(-c3cnc4[nH]cccc3-4)n2)c1F ZINC001217146469 1134964980 /nfs/dbraw/zinc/96/49/80/1134964980.db2.gz UWUJJTDWRWASNQ-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1ccc(-c2noc(-c3cnc4[nH]cccc3-4)n2)cc1F ZINC001217144930 1134965700 /nfs/dbraw/zinc/96/57/00/1134965700.db2.gz CVZLXXSMRQUJJV-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1[nH]nc2cc(-c3nc(-c4cccc(C)c4)no3)ccc12 ZINC001217577190 1134984154 /nfs/dbraw/zinc/98/41/54/1134984154.db2.gz XIVZUIWUECORGN-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Cc1ccc2cc(-c3nc(-c4ccccc4)no3)[nH]c2n1 ZINC001217618721 1134985500 /nfs/dbraw/zinc/98/55/00/1134985500.db2.gz PIIBYRYWFHDLIR-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN C[C@@H]1CCCN[C@H]1c1nnc(CCC2CCCCC2)o1 ZINC001217701403 1134987972 /nfs/dbraw/zinc/98/79/72/1134987972.db2.gz DMPBDVCHSLDUKW-IUODEOHRSA-N 0 1 277.412 3.643 20 0 CHADMN CC(C)c1ccc(-c2nnc([C@@H]3C[C@H](C)CCN3)o2)cc1 ZINC001217703437 1134989001 /nfs/dbraw/zinc/98/90/01/1134989001.db2.gz VCWYRXRIQGXIKF-DOMZBBRYSA-N 0 1 285.391 3.921 20 0 CHADMN CN[C@H](c1nnc(-c2ccc(C(C)C)cc2)o1)C(C)C ZINC001217727224 1134991787 /nfs/dbraw/zinc/99/17/87/1134991787.db2.gz NBZLJUCFXZTCEY-AWEZNQCLSA-N 0 1 273.380 3.777 20 0 CHADMN CC(C)c1ccc(-c2nnc(CNCC(C)(C)C)o2)cc1 ZINC001217728229 1134991986 /nfs/dbraw/zinc/99/19/86/1134991986.db2.gz JDYPFXNQEXNMQL-UHFFFAOYSA-N 0 1 287.407 3.996 20 0 CHADMN c1nc2cccc(CO[C@@H]3CCC=CCCC3)c2[nH]1 ZINC001217872781 1135013873 /nfs/dbraw/zinc/01/38/73/1135013873.db2.gz VJWGUJBZWGXLLP-CQSZACIVSA-N 0 1 256.349 3.968 20 0 CHADMN C[C@@H]1CCC[C@@H](OCc2cccc3nc[nH]c32)[C@@H]1C ZINC001217892128 1135018004 /nfs/dbraw/zinc/01/80/04/1135018004.db2.gz CHZGZRLHPRYJCK-LALPHHSUSA-N 0 1 258.365 3.904 20 0 CHADMN CCCCCC(CCCCC)Oc1cnc(CN)nc1 ZINC001218354308 1135092217 /nfs/dbraw/zinc/09/22/17/1135092217.db2.gz FGFPLZFUGFDYFC-UHFFFAOYSA-N 0 1 279.428 3.843 20 0 CHADMN CC1(C)C[C@H](Oc2cc([O-])c(Cl)cc2Cl)CC[NH2+]1 ZINC001218478460 1135113136 /nfs/dbraw/zinc/11/31/36/1135113136.db2.gz YMVVPBYPTOZELD-MRVPVSSYSA-N 0 1 290.190 3.608 20 0 CHADMN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCC23CCCCC3)n1 ZINC000312971381 1135135641 /nfs/dbraw/zinc/13/56/41/1135135641.db2.gz HIKHVQQDFGYZBJ-MRXNPFEDSA-N 0 1 274.408 3.688 20 0 CHADMN Brc1cccc(CCN2CC3(C2)CCCC3)c1 ZINC000313845486 1135141706 /nfs/dbraw/zinc/14/17/06/1135141706.db2.gz FIZALYHJEGXGKH-UHFFFAOYSA-N 0 1 294.236 3.868 20 0 CHADMN COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000316092893 1135164691 /nfs/dbraw/zinc/16/46/91/1135164691.db2.gz QKRZBXMGUPVKSO-ZDUSSCGKSA-N 0 1 299.370 3.586 20 0 CHADMN COc1cc(CN2CC=C(c3ccccc3)CC2)ccc1O ZINC000194972736 1135165817 /nfs/dbraw/zinc/16/58/17/1135165817.db2.gz WYPMVTSZSCCTIQ-UHFFFAOYSA-N 0 1 295.382 3.690 20 0 CHADMN Cc1ccc(-c2cc(F)c([O-])cc2F)c(C[NH+](C)C)c1 ZINC001222082780 1135189693 /nfs/dbraw/zinc/18/96/93/1135189693.db2.gz HNHMYKXWPICUOP-UHFFFAOYSA-N 0 1 277.314 3.707 20 0 CHADMN COc1c(F)c(C)ccc1-c1cc2nc[nH]c2c(C)c1 ZINC001222305453 1135221673 /nfs/dbraw/zinc/22/16/73/1135221673.db2.gz RJRNJOJUUKKFOI-UHFFFAOYSA-N 0 1 270.307 3.994 20 0 CHADMN Clc1ccc(-c2[nH]ccc3ncnc2-3)cc1Cl ZINC001222336696 1135228117 /nfs/dbraw/zinc/22/81/17/1135228117.db2.gz YKWJYKMRWBXMIY-UHFFFAOYSA-N 0 1 264.115 3.932 20 0 CHADMN Clc1ccc(-c2nccc3[nH]cnc32)cc1Cl ZINC001222336696 1135228120 /nfs/dbraw/zinc/22/81/20/1135228120.db2.gz YKWJYKMRWBXMIY-UHFFFAOYSA-N 0 1 264.115 3.932 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccccc1Cl ZINC001222437029 1135242569 /nfs/dbraw/zinc/24/25/69/1135242569.db2.gz IILXWDHYDMRIOY-UHFFFAOYSA-N 0 1 258.708 3.892 20 0 CHADMN C[C@H](OCc1cnc[nH]1)c1ccc(F)c(Br)c1 ZINC001223008434 1135293984 /nfs/dbraw/zinc/29/39/84/1135293984.db2.gz YZDJQQIWQPZIOY-QMMMGPOBSA-N 0 1 299.143 3.589 20 0 CHADMN c1csc(CO[C@H]2CCN3Cc4ccccc4N=C23)c1 ZINC001223863855 1135391580 /nfs/dbraw/zinc/39/15/80/1135391580.db2.gz GDRMNHMVISSNRV-HNNXBMFYSA-N 0 1 284.384 3.583 20 0 CHADMN C[N@H+]1CCC[C@@H](Oc2ccccc2OCc2ccccc2)C1 ZINC001225216836 1135516634 /nfs/dbraw/zinc/51/66/34/1135516634.db2.gz SWAVAWLBUYQQRH-QGZVFWFLSA-N 0 1 297.398 3.739 20 0 CHADMN CCN1CC[C@@H](Oc2cc(C(F)(F)F)ccc2Cl)C1 ZINC001225324788 1135543003 /nfs/dbraw/zinc/54/30/03/1135543003.db2.gz RMXFEOGKZNNFRH-SNVBAGLBSA-N 0 1 293.716 3.832 20 0 CHADMN C[C@H]1C[C@@H](Oc2n[nH]c3ncccc23)CC(C)(C)C1 ZINC001226302415 1135682772 /nfs/dbraw/zinc/68/27/72/1135682772.db2.gz KAYZRVOVPYODNH-WDEREUQCSA-N 0 1 259.353 3.552 20 0 CHADMN Nc1cc(O[C@H]2CCc3ccccc3C2)c2ccccc2n1 ZINC001226421879 1135694651 /nfs/dbraw/zinc/69/46/51/1135694651.db2.gz GCOIMOPXCKESKL-HNNXBMFYSA-N 0 1 290.366 3.753 20 0 CHADMN Nc1cc(O[C@@H](c2cccnc2)C2CC2)c2ccccc2n1 ZINC001226421217 1135694834 /nfs/dbraw/zinc/69/48/34/1135694834.db2.gz CIEHZLIGAAMSDE-GOSISDBHSA-N 0 1 291.354 3.742 20 0 CHADMN C[C@@H](Oc1cc(N)nc2ccccc21)C1CCCC1 ZINC001226422439 1135694987 /nfs/dbraw/zinc/69/49/87/1135694987.db2.gz MQSIZOQYWUEGOJ-LLVKDONJSA-N 0 1 256.349 3.775 20 0 CHADMN Cc1nc(O[C@@H](C)c2cc(Cl)ccc2C)c(F)c(=O)[nH]1 ZINC001226423799 1135695967 /nfs/dbraw/zinc/69/59/67/1135695967.db2.gz LQXRTAJCQOGRNZ-QMMMGPOBSA-N 0 1 296.729 3.732 20 0 CHADMN Cc1ccc2nc(O[C@@H]3CCc4ccccc43)[nH]c2c1 ZINC001226506087 1135705224 /nfs/dbraw/zinc/70/52/24/1135705224.db2.gz MJFZESDJDBDURS-MRXNPFEDSA-N 0 1 264.328 3.938 20 0 CHADMN C[C@@H](Oc1nc2ccc(F)cc2[nH]1)c1cccc(F)c1 ZINC001226701663 1135730518 /nfs/dbraw/zinc/73/05/18/1135730518.db2.gz UBZWQUMUTDGEMZ-SECBINFHSA-N 0 1 274.270 3.981 20 0 CHADMN C[C@H](Oc1nc2ccc(F)cc2[nH]1)c1ccccc1 ZINC001226702462 1135731491 /nfs/dbraw/zinc/73/14/91/1135731491.db2.gz RUNMHKPQZVTCCM-JTQLQIEISA-N 0 1 256.280 3.842 20 0 CHADMN CC1(C)CC(Oc2ccc3nc[nH]c3c2)CC(C)(C)O1 ZINC001226930577 1135762773 /nfs/dbraw/zinc/76/27/73/1135762773.db2.gz WBHPKZHSCZNVDR-UHFFFAOYSA-N 0 1 274.364 3.678 20 0 CHADMN C[C@H](Oc1ccc2nc[nH]c2c1)c1ccc(F)cc1 ZINC001226929144 1135762831 /nfs/dbraw/zinc/76/28/31/1135762831.db2.gz ZKAJQNOCRTYMKJ-JTQLQIEISA-N 0 1 256.280 3.842 20 0 CHADMN Fc1cc2c(c(F)c1)CC[C@@H]2Oc1ccc2nc[nH]c2c1 ZINC001226929234 1135763039 /nfs/dbraw/zinc/76/30/39/1135763039.db2.gz CILIZPJGCOPESA-INIZCTEOSA-N 0 1 286.281 3.907 20 0 CHADMN CC1(C)C(=O)CCC[C@@H]1Oc1nc2ccc(Cl)cc2[nH]1 ZINC001227262770 1135811865 /nfs/dbraw/zinc/81/18/65/1135811865.db2.gz WNJQNXWJPKVERA-ZDUSSCGKSA-N 0 1 292.766 3.743 20 0 CHADMN C[C@H](Cc1ccco1)Oc1nc2ccc(Cl)cc2[nH]1 ZINC001227262789 1135813396 /nfs/dbraw/zinc/81/33/96/1135813396.db2.gz XJPAYEDRHINBGM-SECBINFHSA-N 0 1 276.723 3.819 20 0 CHADMN CC[N@H+]1CCC[C@H](Oc2ccc(Cl)cc2Cl)C1 ZINC001227511658 1135841863 /nfs/dbraw/zinc/84/18/63/1135841863.db2.gz KRJZMHOFQTXDNK-NSHDSACASA-N 0 1 274.191 3.857 20 0 CHADMN CCN1CCC[C@H](Oc2ccc(Cl)cc2Cl)C1 ZINC001227511658 1135841865 /nfs/dbraw/zinc/84/18/65/1135841865.db2.gz KRJZMHOFQTXDNK-NSHDSACASA-N 0 1 274.191 3.857 20 0 CHADMN Cc1ccc(Cl)cc1[C@@H](C)Oc1[nH]c(=S)nnc1C ZINC001227597334 1135849045 /nfs/dbraw/zinc/84/90/45/1135849045.db2.gz BDXCDSQHGQMEHS-SECBINFHSA-N 0 1 295.795 3.571 20 0 CHADMN CC(C)C[C@H](CO)NCc1cc(Cl)sc1Cl ZINC000312584046 260159578 /nfs/dbraw/zinc/15/95/78/260159578.db2.gz ORTHWTYDNAGQSN-SECBINFHSA-N 0 1 282.236 3.552 20 0 CHADMN CC[C@@H](CN[C@H](C)c1nc(-c2ccccc2)cs1)OC ZINC000353570677 529495584 /nfs/dbraw/zinc/49/55/84/529495584.db2.gz FMGMDFHZSZUMLE-OCCSQVGLSA-N 0 1 290.432 3.886 20 0 CHADMN CCc1cc(C)c(C(=O)Nc2nc3ccc(C)cc3[nH]2)o1 ZINC000344461430 529525229 /nfs/dbraw/zinc/52/52/29/529525229.db2.gz MWQPECMIGLEHPA-UHFFFAOYSA-N 0 1 283.331 3.587 20 0 CHADMN CCn1cccc1CN(C)Cc1ccc(F)c(C)c1 ZINC000353681289 529547269 /nfs/dbraw/zinc/54/72/69/529547269.db2.gz MEGMKAVYUKPKHS-UHFFFAOYSA-N 0 1 260.356 3.588 20 0 CHADMN CC[C@H](NCC[C@H](C)F)c1nc(C(F)(F)F)cs1 ZINC000351730484 529605657 /nfs/dbraw/zinc/60/56/57/529605657.db2.gz OUOOPOIODIPABO-YUMQZZPRSA-N 0 1 284.322 3.951 20 0 CHADMN CC[C@H](NCc1ccccc1Cl)c1ccncc1 ZINC000344590429 529632049 /nfs/dbraw/zinc/63/20/49/529632049.db2.gz XLIQTROVEMPXQM-HNNXBMFYSA-N 0 1 260.768 3.976 20 0 CHADMN CCc1ccc(CNCc2cc(Cl)ccc2OC)cn1 ZINC000352767052 529653168 /nfs/dbraw/zinc/65/31/68/529653168.db2.gz BHUBKNAIIBLPHH-UHFFFAOYSA-N 0 1 290.794 3.596 20 0 CHADMN CCc1ccc(CNCc2ccc(Cl)cc2OC)cn1 ZINC000352751063 529653274 /nfs/dbraw/zinc/65/32/74/529653274.db2.gz SWJQRDJWTTZEKY-UHFFFAOYSA-N 0 1 290.794 3.596 20 0 CHADMN CCc1ccc(CNCc2ccccc2C(F)(F)F)cn1 ZINC000352770892 529653868 /nfs/dbraw/zinc/65/38/68/529653868.db2.gz MEOKKQGJOWMCMP-UHFFFAOYSA-N 0 1 294.320 3.953 20 0 CHADMN CCc1ccc(CN(CCOC)[C@@H](C)c2ccccc2)cn1 ZINC000347589914 529638755 /nfs/dbraw/zinc/63/87/55/529638755.db2.gz ABAVALVTRAEENV-INIZCTEOSA-N 0 1 298.430 3.854 20 0 CHADMN CCc1nc(CN2CCCC[C@H]2c2cccc(C)c2C)n[nH]1 ZINC000354839241 529736034 /nfs/dbraw/zinc/73/60/34/529736034.db2.gz CXZRXFPIJRRBDM-INIZCTEOSA-N 0 1 298.434 3.711 20 0 CHADMN CCc1nc(CN2CCC[C@@H]2c2ccc(C(C)C)cc2)n[nH]1 ZINC000355056845 529736143 /nfs/dbraw/zinc/73/61/43/529736143.db2.gz MQZYJJPUUHRYPD-MRXNPFEDSA-N 0 1 298.434 3.828 20 0 CHADMN CCc1nc(CN2CC[C@@H](C)C(C)(C)C2)cs1 ZINC000354024800 529736981 /nfs/dbraw/zinc/73/69/81/529736981.db2.gz UNZDDANQWZDKRH-LLVKDONJSA-N 0 1 252.427 3.574 20 0 CHADMN CN(C)c1cccnc1CNCc1ccc2ccccc2c1 ZINC000353209102 529796606 /nfs/dbraw/zinc/79/66/06/529796606.db2.gz JRIHMNFYQCVBNX-UHFFFAOYSA-N 0 1 291.398 3.591 20 0 CHADMN CN(C/C=C/c1ccc(F)c(F)c1)Cc1ccoc1 ZINC000347633959 529820112 /nfs/dbraw/zinc/82/01/12/529820112.db2.gz DXUKMYIRUXECLG-NSCUHMNNSA-N 0 1 263.287 3.703 20 0 CHADMN CN(CC[C@@H]1CCCCO1)Cc1nc2ccccc2s1 ZINC000347396606 529930615 /nfs/dbraw/zinc/93/06/15/529930615.db2.gz VTKLXLYWTFRRQA-ZDUSSCGKSA-N 0 1 290.432 3.687 20 0 CHADMN COc1ccc(F)c(CNC/C=C\c2ccccc2)c1 ZINC000574215097 335001594 /nfs/dbraw/zinc/00/15/94/335001594.db2.gz ZPXBMASMSGMZKO-YVMONPNESA-N 0 1 271.335 3.637 20 0 CHADMN CC[C@H]1CN(Cc2ccnc3ccccc23)C[C@H](CC)O1 ZINC000574267507 335005178 /nfs/dbraw/zinc/00/51/78/335005178.db2.gz KGNFHZQARQZVRU-HOTGVXAUSA-N 0 1 284.403 3.624 20 0 CHADMN Cc1nc(CN[C@H]2CC[C@H](C)c3ccccc32)[nH]c1C ZINC000574292975 335008202 /nfs/dbraw/zinc/00/82/02/335008202.db2.gz VMOQASYOVQXDIB-ZBEGNZNMSA-N 0 1 269.392 3.755 20 0 CHADMN CCC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000574340802 335012378 /nfs/dbraw/zinc/01/23/78/335012378.db2.gz VUVYVPYMLUKXQJ-OAHLLOKOSA-N 0 1 293.382 3.925 20 0 CHADMN CN(Cc1cnc(C2CCCCC2)s1)[C@@H]1CCCOC1 ZINC000574365847 335013779 /nfs/dbraw/zinc/01/37/79/335013779.db2.gz ITHNPDCHSAECMR-CQSZACIVSA-N 0 1 294.464 3.802 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CC[C@@H](OC(C)C)C1 ZINC000574570513 335030352 /nfs/dbraw/zinc/03/03/52/335030352.db2.gz HEMVNFDEXJVWGB-CJNGLKHVSA-N 0 1 283.362 3.915 20 0 CHADMN CC1(C)CCCC[C@@H]1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000574596536 335032906 /nfs/dbraw/zinc/03/29/06/335032906.db2.gz TWLWSFSJHGLKCU-CQSZACIVSA-N 0 1 298.390 3.627 20 0 CHADMN CSc1ccc(N(C)C(=O)c2cccc3c[nH]nc32)cc1 ZINC000353290599 532973581 /nfs/dbraw/zinc/97/35/81/532973581.db2.gz RZUWARSCDUZWOB-UHFFFAOYSA-N 0 1 297.383 3.561 20 0 CHADMN Cc1nc2c(n1CC1CCC(F)(F)CC1)CCCC2 ZINC000574823015 335050662 /nfs/dbraw/zinc/05/06/62/335050662.db2.gz HDMSNEKRVYLHGP-UHFFFAOYSA-N 0 1 268.351 3.896 20 0 CHADMN CC1(C)CN(Cc2nc(C3CCCC3)no2)[C@H]2CCC[C@H]21 ZINC000574825188 335050985 /nfs/dbraw/zinc/05/09/85/335050985.db2.gz BUJNPUGZSGNDCB-KGLIPLIRSA-N 0 1 289.423 3.738 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccco2)cc1F ZINC000035738718 260034898 /nfs/dbraw/zinc/03/48/98/260034898.db2.gz KXZJXQGKWXSHLI-WDEREUQCSA-N 0 1 263.312 3.839 20 0 CHADMN COc1ccc2nc(CNCc3cccs3)sc2c1 ZINC000353738292 533348076 /nfs/dbraw/zinc/34/80/76/533348076.db2.gz NCCYBRQVUNUFKE-UHFFFAOYSA-N 0 1 290.413 3.656 20 0 CHADMN COc1ccc(C2(N[C@@H](C)c3cnccc3C)CC2)cc1 ZINC000346742599 533428982 /nfs/dbraw/zinc/42/89/82/533428982.db2.gz MSUOXIBMVMJRFX-AWEZNQCLSA-N 0 1 282.387 3.739 20 0 CHADMN Cc1cc(CN2CC=C(c3cc(C)cc(C)c3)CC2)n(C)n1 ZINC000417981333 533590687 /nfs/dbraw/zinc/59/06/87/533590687.db2.gz LSWHHUTYSKIOTM-UHFFFAOYSA-N 0 1 295.430 3.635 20 0 CHADMN COc1ccc(CN2CCC=C(c3ccco3)C2)cc1F ZINC000352551411 533554808 /nfs/dbraw/zinc/55/48/08/533554808.db2.gz XNQHDMPLPGFRER-UHFFFAOYSA-N 0 1 287.334 3.717 20 0 CHADMN Cc1cc(CN2C[C@H](C)CC[C@H]2c2ccccc2)nn1C ZINC000352803481 533633954 /nfs/dbraw/zinc/63/39/54/533633954.db2.gz OHASJURAYCKKNG-KDOFPFPSSA-N 0 1 283.419 3.702 20 0 CHADMN Cc1cc(C)c(C(=O)Nc2ccc3nc[nH]c3c2)c(C)c1 ZINC000341776777 130012396 /nfs/dbraw/zinc/01/23/96/130012396.db2.gz LATVLNUYLFJQDC-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN Cc1ccc(CN2CCC(CC(F)(F)F)CC2)c(C)n1 ZINC000341982400 130168103 /nfs/dbraw/zinc/16/81/03/130168103.db2.gz RVGNQMBRSSWCBT-UHFFFAOYSA-N 0 1 286.341 3.863 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000342022801 130203810 /nfs/dbraw/zinc/20/38/10/130203810.db2.gz PSEITWXVMWISPQ-LSDHHAIUSA-N 0 1 283.774 3.623 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000342022921 130205618 /nfs/dbraw/zinc/20/56/18/130205618.db2.gz QJSSXZADKKTYAC-GJZGRUSLSA-N 0 1 283.774 3.623 20 0 CHADMN CC[C@H](NCc1cc[nH]c1)c1cc(F)ccc1F ZINC000086254906 522640848 /nfs/dbraw/zinc/64/08/48/522640848.db2.gz BRGKDPSKNBEUDW-AWEZNQCLSA-N 0 1 250.292 3.534 20 0 CHADMN CC(C)OCCCN(C)Cc1ccccc1Cl ZINC000171497055 335067110 /nfs/dbraw/zinc/06/71/10/335067110.db2.gz LXKNXBATPLBYNW-UHFFFAOYSA-N 0 1 255.789 3.587 20 0 CHADMN COc1ccc(CNCc2cccc3[nH]ccc32)c(F)c1 ZINC000344626930 533674958 /nfs/dbraw/zinc/67/49/58/533674958.db2.gz DMUZYSZHAYFRLX-UHFFFAOYSA-N 0 1 284.334 3.605 20 0 CHADMN C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCCCCC1 ZINC000007378022 170280883 /nfs/dbraw/zinc/28/08/83/170280883.db2.gz XPRHDGXMCLIWKB-LBPRGKRZSA-N 0 1 280.799 3.543 20 0 CHADMN CCOc1ccccc1NC(=O)c1ccc(O)c(Cl)c1 ZINC000019838130 170885964 /nfs/dbraw/zinc/88/59/64/170885964.db2.gz YWKXVUGRKKTIGE-UHFFFAOYSA-N 0 1 291.734 3.697 20 0 CHADMN Fc1ccc(CNCc2ccccc2Br)cc1 ZINC000019944086 170935487 /nfs/dbraw/zinc/93/54/87/170935487.db2.gz XMPWSOQRHSQCRG-UHFFFAOYSA-N 0 1 294.167 3.878 20 0 CHADMN COc1ccc(OC)c([C@@H](C)N[C@@H](C)c2ccncc2)c1 ZINC000020121323 171000112 /nfs/dbraw/zinc/00/01/12/171000112.db2.gz JVVURNXHPWKGRC-QWHCGFSZSA-N 0 1 286.375 3.511 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccncc2)c(OC)c1 ZINC000020121519 171001349 /nfs/dbraw/zinc/00/13/49/171001349.db2.gz WZJRHOFGMKSNPP-OLZOCXBDSA-N 0 1 286.375 3.511 20 0 CHADMN C[C@@H](N[C@H]1CCSc2ccccc21)c1ccccn1 ZINC000020123503 171005162 /nfs/dbraw/zinc/00/51/62/171005162.db2.gz MDFVNKPYBSFMRM-DOMZBBRYSA-N 0 1 270.401 3.969 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccn1)c1ccc2c(c1)CCC2 ZINC000020123931 171005894 /nfs/dbraw/zinc/00/58/94/171005894.db2.gz ROHCLXFSWMZTJR-KGLIPLIRSA-N 0 1 266.388 3.982 20 0 CHADMN C[C@@H](NCc1cccs1)c1ccc(F)cc1F ZINC000020139273 171026129 /nfs/dbraw/zinc/02/61/29/171026129.db2.gz VKLGDPBRQFPGGE-SECBINFHSA-N 0 1 253.317 3.877 20 0 CHADMN C[C@H](NCc1cccnc1)c1ccccc1C(F)(F)F ZINC000020140797 171027778 /nfs/dbraw/zinc/02/77/78/171027778.db2.gz QQTBSMHPMWCIHT-NSHDSACASA-N 0 1 280.293 3.951 20 0 CHADMN COc1ccc(CNCc2ccc(Cl)cc2)c(OC)c1 ZINC000020209561 171073139 /nfs/dbraw/zinc/07/31/39/171073139.db2.gz XQNLQCMVDAYNIP-UHFFFAOYSA-N 0 1 291.778 3.647 20 0 CHADMN Cc1ccc(NC(=O)c2ccc(O)c(Cl)c2)c(F)c1 ZINC000020363077 171162146 /nfs/dbraw/zinc/16/21/46/171162146.db2.gz GGLFGJPUEMGSMA-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN O=C(Nc1cc(F)cc(F)c1)c1ccc(Cl)cc1O ZINC000022151229 171358574 /nfs/dbraw/zinc/35/85/74/171358574.db2.gz YHCWNKPODHBVBI-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN Nc1cccc(CN(Cc2ccccc2F)C2CC2)c1 ZINC000035366290 172157044 /nfs/dbraw/zinc/15/70/44/172157044.db2.gz IMPLNZVAAJMWQB-UHFFFAOYSA-N 0 1 270.351 3.573 20 0 CHADMN CC(C)(C)n1cc(CNCc2ccc(Cl)cc2)cn1 ZINC000037243353 173058761 /nfs/dbraw/zinc/05/87/61/173058761.db2.gz RZGWYQNFRZFMEX-UHFFFAOYSA-N 0 1 277.799 3.581 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1c(C)cc(C(C)(C)C)cc1C ZINC000038021482 174001430 /nfs/dbraw/zinc/00/14/30/174001430.db2.gz OSRPTZSRBGBWQH-UHFFFAOYSA-N 0 1 291.435 3.898 20 0 CHADMN CC(C)(C)c1ccc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000038027523 174014235 /nfs/dbraw/zinc/01/42/35/174014235.db2.gz UFDSJJIQKOKACI-INIZCTEOSA-N 0 1 289.419 3.813 20 0 CHADMN Cc1nccc(CN[C@H](CC(C)C)c2ccccc2)n1 ZINC000038037315 174037200 /nfs/dbraw/zinc/03/72/00/174037200.db2.gz LTENELHSQDYPJE-QGZVFWFLSA-N 0 1 269.392 3.662 20 0 CHADMN Fc1ccc(CNCc2ccc(Cl)c(F)c2)cc1 ZINC000043388341 175033290 /nfs/dbraw/zinc/03/32/90/175033290.db2.gz KMLGHRGAEWEHBG-UHFFFAOYSA-N 0 1 267.706 3.908 20 0 CHADMN C[C@H](NCc1cnn2ccccc12)c1ccc(Cl)s1 ZINC000071372911 176138276 /nfs/dbraw/zinc/13/82/76/176138276.db2.gz WDCFBRWXSMDLEN-JTQLQIEISA-N 0 1 291.807 3.900 20 0 CHADMN Cc1ccc2nc(NC(=O)C3(c4ccccc4)CC3)[nH]c2c1 ZINC000344456830 225064642 /nfs/dbraw/zinc/06/46/42/225064642.db2.gz IOJFCVYADSONGE-UHFFFAOYSA-N 0 1 291.354 3.542 20 0 CHADMN FC(F)Oc1cccc(CN2CCCc3occc3C2)c1 ZINC000344240490 225004499 /nfs/dbraw/zinc/00/44/99/225004499.db2.gz CHRINZOVIHIUJB-UHFFFAOYSA-N 0 1 293.313 3.829 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cc[nH]c3C(C)C)[nH]c2c1 ZINC000344533189 225080001 /nfs/dbraw/zinc/08/00/01/225080001.db2.gz OIZKNTNJUNZSJM-UHFFFAOYSA-N 0 1 282.347 3.575 20 0 CHADMN Cc1ccc2nc(NC(=O)c3ccc(C(C)C)nc3)[nH]c2c1 ZINC000344516380 225090698 /nfs/dbraw/zinc/09/06/98/225090698.db2.gz CMTWRASXWOTXES-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN Cc1cc(C)c(CN[C@H]2CCc3c2c(F)ccc3F)cn1 ZINC000334671769 225242397 /nfs/dbraw/zinc/24/23/97/225242397.db2.gz PDXGQMQHCVDXJU-INIZCTEOSA-N 0 1 288.341 3.754 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@H]1CC12CCSCC2 ZINC000334676568 225245073 /nfs/dbraw/zinc/24/50/73/225245073.db2.gz QPOLDUXXVBQSIW-SECBINFHSA-N 0 1 297.807 3.517 20 0 CHADMN C[C@H](N[C@H]1CCCN(C)c2ccccc21)c1ccco1 ZINC000334685772 225249604 /nfs/dbraw/zinc/24/96/04/225249604.db2.gz BUJQHJSBRFYKAX-ZFWWWQNUSA-N 0 1 270.376 3.902 20 0 CHADMN Cc1csc([C@@H](C)NC[C@@H]2CCC3(CCCCC3)O2)n1 ZINC000191020472 225862072 /nfs/dbraw/zinc/86/20/72/225862072.db2.gz JDYSKXMGXSUESZ-KGLIPLIRSA-N 0 1 294.464 3.984 20 0 CHADMN COc1nc(C)cc(C)c1CN1CCC=C(c2ccco2)C1 ZINC000347124792 226036318 /nfs/dbraw/zinc/03/63/18/226036318.db2.gz DUPYDAJQVATXGV-UHFFFAOYSA-N 0 1 298.386 3.589 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1Cc1cncc(F)c1 ZINC000347080686 226041631 /nfs/dbraw/zinc/04/16/31/226041631.db2.gz RQZAPHIPKWABMY-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cnc(CN2CC[C@@H](C(C)(C)C)C[C@@H]2C)o1 ZINC000347581758 226198256 /nfs/dbraw/zinc/19/82/56/226198256.db2.gz OKLPHGWIJOWYDQ-WCQYABFASA-N 0 1 250.386 3.630 20 0 CHADMN C[C@H](N[C@@H]1CSC[C@@H]1C)c1ncc(-c2ccccc2)o1 ZINC000367002352 226204007 /nfs/dbraw/zinc/20/40/07/226204007.db2.gz JJYRILFHTXVBDJ-SGMGOOAPSA-N 0 1 288.416 3.744 20 0 CHADMN c1cc(CN(CCc2ccccc2)Cc2ccccc2)n[nH]1 ZINC000171730988 335076465 /nfs/dbraw/zinc/07/64/65/335076465.db2.gz OVGHBRVCHDXHJW-UHFFFAOYSA-N 0 1 291.398 3.655 20 0 CHADMN C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000350359539 227001111 /nfs/dbraw/zinc/00/11/11/227001111.db2.gz SMTCOINTKIKIOR-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN Cc1nc2ccc(NC(=O)c3c(C)cccc3C)cc2[nH]1 ZINC000354603628 227047986 /nfs/dbraw/zinc/04/79/86/227047986.db2.gz POPAIXOFCSGVGN-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN Clc1sccc1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000336530633 227096004 /nfs/dbraw/zinc/09/60/04/227096004.db2.gz VWBJYSJXEUQCCV-LLVKDONJSA-N 0 1 281.812 3.504 20 0 CHADMN Cc1ccsc1CN[C@@H]1CCOc2c(F)cccc21 ZINC000336529497 227096913 /nfs/dbraw/zinc/09/69/13/227096913.db2.gz ZPUKWXXGAKNXTF-CYBMUJFWSA-N 0 1 277.364 3.809 20 0 CHADMN Cc1ccc(CCCC(=O)Nc2ccc3nc[nH]c3c2)s1 ZINC000352629933 227127106 /nfs/dbraw/zinc/12/71/06/227127106.db2.gz LQFIWZZKGKISOU-UHFFFAOYSA-N 0 1 299.399 3.894 20 0 CHADMN Cc1ccoc1CN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000352682662 227157440 /nfs/dbraw/zinc/15/74/40/227157440.db2.gz QNAZALVAJGAEMY-KRWDZBQOSA-N 0 1 285.387 3.769 20 0 CHADMN C[C@H](NCc1ccc2occc2c1)c1cncc(F)c1 ZINC000352734969 227193767 /nfs/dbraw/zinc/19/37/67/227193767.db2.gz DPYDWNCZBALIKK-NSHDSACASA-N 0 1 270.307 3.818 20 0 CHADMN COCc1nc(CN2CCC[C@H]2CC(C)(C)C)cs1 ZINC000352865453 227354774 /nfs/dbraw/zinc/35/47/74/227354774.db2.gz FMGMRPMHEBDJEZ-ZDUSSCGKSA-N 0 1 282.453 3.690 20 0 CHADMN Cc1cc2ccccc2nc1NC[C@H](c1ccco1)N(C)C ZINC000301540892 227579441 /nfs/dbraw/zinc/57/94/41/227579441.db2.gz CBKUSIVDYSJTSQ-MRXNPFEDSA-N 0 1 295.386 3.851 20 0 CHADMN Cc1ccc(C)c(CN[C@H]2COCc3ccccc32)c1 ZINC000418095067 228032609 /nfs/dbraw/zinc/03/26/09/228032609.db2.gz FTEJWDXOKOKBLC-SFHVURJKSA-N 0 1 267.372 3.665 20 0 CHADMN Cc1c2ccccc2oc1[C@H](C)N[C@@H](C)c1ccc(=O)[nH]n1 ZINC000353403881 228096580 /nfs/dbraw/zinc/09/65/80/228096580.db2.gz MYEJNVQXGOSOPQ-RYUDHWBXSA-N 0 1 297.358 3.649 20 0 CHADMN Cc1cccc2ncc(CN3CCc4ccccc4[C@H]3C)n21 ZINC000353404733 228097045 /nfs/dbraw/zinc/09/70/45/228097045.db2.gz NAZJLXXHOGIZGP-OAHLLOKOSA-N 0 1 291.398 3.762 20 0 CHADMN Cc1ncsc1CN[C@H](C)c1nccc2ccccc21 ZINC000353407501 228097646 /nfs/dbraw/zinc/09/76/46/228097646.db2.gz BRHRYDVIAMSPCB-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1c([C@H](C)N[C@@H](C)c2nccc3ccccc32)cnn1C ZINC000353428601 228100630 /nfs/dbraw/zinc/10/06/30/228100630.db2.gz RXQDTKVURLUFDZ-STQMWFEESA-N 0 1 294.402 3.689 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(C)c(F)c2)cc1O ZINC000353426398 228100919 /nfs/dbraw/zinc/10/09/19/228100919.db2.gz MESZAZICVDFSGZ-GFCCVEGCSA-N 0 1 289.350 3.699 20 0 CHADMN C[C@@H]1CSCCN1Cc1cnc(-c2ccsc2)s1 ZINC000353475522 228107843 /nfs/dbraw/zinc/10/78/43/228107843.db2.gz WQMBWJKICLAXOJ-SNVBAGLBSA-N 0 1 296.486 3.809 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2C[C@H](C)C[C@H](C)C2)s1 ZINC000353539283 228117293 /nfs/dbraw/zinc/11/72/93/228117293.db2.gz LEFVOTWKMNGJHD-DTORHVGOSA-N 0 1 292.370 3.948 20 0 CHADMN c1csc(-c2cc(-c3nc(-c4ccccc4)no3)[nH]n2)c1 ZINC000355916338 228049537 /nfs/dbraw/zinc/04/95/37/228049537.db2.gz VPHKXMGOQANIJT-UHFFFAOYSA-N 0 1 294.339 3.855 20 0 CHADMN CCc1nnc(CNC2CCC(C)(CC)CC2)s1 ZINC000353554918 228119795 /nfs/dbraw/zinc/11/97/95/228119795.db2.gz AVRQUDZNJSWXLL-UHFFFAOYSA-N 0 1 267.442 3.549 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccccc1)c1nccc2ccccc21 ZINC000353250186 228074568 /nfs/dbraw/zinc/07/45/68/228074568.db2.gz FGJYBZTVYMPMMD-RDTXWAMCSA-N 0 1 292.382 3.619 20 0 CHADMN Cc1cc([C@@H](C)NC[C@H]2SCCc3ccccc32)no1 ZINC000353259828 228075566 /nfs/dbraw/zinc/07/55/66/228075566.db2.gz FBEFQAYLUOXHRD-MLGOLLRUSA-N 0 1 288.416 3.664 20 0 CHADMN c1ccc(C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000353388199 228093724 /nfs/dbraw/zinc/09/37/24/228093724.db2.gz MKZODSTVFBTUMZ-KRWDZBQOSA-N 0 1 266.388 3.536 20 0 CHADMN COc1cc([C@@H](C)NCc2ccc3cc[nH]c3n2)ccc1F ZINC000353627415 228134689 /nfs/dbraw/zinc/13/46/89/228134689.db2.gz KHDPRNCZBATEPU-LLVKDONJSA-N 0 1 299.349 3.561 20 0 CHADMN Cc1ccccc1C1CC(N(Cc2c[nH]cn2)C2CC2)C1 ZINC000353668658 228142367 /nfs/dbraw/zinc/14/23/67/228142367.db2.gz YWCUGZSDFQYYDG-UHFFFAOYSA-N 0 1 281.403 3.629 20 0 CHADMN Fc1ccc(CN2CCCC3(CCOCC3)C2)cc1Cl ZINC000353713151 228147212 /nfs/dbraw/zinc/14/72/12/228147212.db2.gz VTFQTXOXLNWGHX-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN C[C@H](N[C@H]1CCC(C)(C)C1)c1noc(-c2ccccc2)n1 ZINC000332155695 228150251 /nfs/dbraw/zinc/15/02/51/228150251.db2.gz IAYUSXBLGVIWJG-JSGCOSHPSA-N 0 1 285.391 3.966 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](c2nccn2C)C2CC2)cc1 ZINC000353867867 228161271 /nfs/dbraw/zinc/16/12/71/228161271.db2.gz OOKULWVXGIXGNK-CJNGLKHVSA-N 0 1 269.392 3.530 20 0 CHADMN OC[C@@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccsc1 ZINC000351978833 228171092 /nfs/dbraw/zinc/17/10/92/228171092.db2.gz AVIVHMHFYZYYIK-LSDHHAIUSA-N 0 1 293.819 3.712 20 0 CHADMN Cn1cccc1CN[C@H]1CCc2sc(Cl)cc21 ZINC000336007350 228177595 /nfs/dbraw/zinc/17/75/95/228177595.db2.gz ZSFKLLZCLVBDCW-NSHDSACASA-N 0 1 266.797 3.517 20 0 CHADMN CCOc1cccc(CN2CCC[C@H]2c2cc(C)no2)c1 ZINC000352088228 228181241 /nfs/dbraw/zinc/18/12/41/228181241.db2.gz XCTBQOHKXWJFAW-INIZCTEOSA-N 0 1 286.375 3.719 20 0 CHADMN Cc1ncc(CN2CCC[C@H](C(F)(F)F)[C@@H]2C)s1 ZINC000336083313 228185368 /nfs/dbraw/zinc/18/53/68/228185368.db2.gz LHTDROZHAHORTB-KWQFWETISA-N 0 1 278.343 3.614 20 0 CHADMN C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCCC2(CC2)C1 ZINC000352267991 228211112 /nfs/dbraw/zinc/21/11/12/228211112.db2.gz XDZMZQRYHPAELD-GFCCVEGCSA-N 0 1 292.810 3.543 20 0 CHADMN Cc1cnccc1CN1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000336225898 228217777 /nfs/dbraw/zinc/21/77/77/228217777.db2.gz BJGAJPXPDPZDIP-YPMHNXCESA-N 0 1 272.314 3.553 20 0 CHADMN C[C@H]1CCC[C@@H](c2noc(-c3cc4cccnc4[nH]3)n2)C1 ZINC000333890742 228219051 /nfs/dbraw/zinc/21/90/51/228219051.db2.gz XAANMSNUHNCIKD-WDEREUQCSA-N 0 1 282.347 3.907 20 0 CHADMN CC(C)CCc1noc(CN(C)[C@@H]2CCC[C@@H](C)C2)n1 ZINC000519968905 260035575 /nfs/dbraw/zinc/03/55/75/260035575.db2.gz UUPHGYLLKFRNCW-ZIAGYGMSSA-N 0 1 279.428 3.669 20 0 CHADMN C[C@@H](NCc1cccc(O)c1)c1cccc(OC(F)F)c1 ZINC000036935092 260053443 /nfs/dbraw/zinc/05/34/43/260053443.db2.gz PNQVUPPXPLHJLI-LLVKDONJSA-N 0 1 293.313 3.844 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)[C@@H](C)C(C)C)c2C1 ZINC000179767247 260068162 /nfs/dbraw/zinc/06/81/62/260068162.db2.gz CHWNMIVVFGLDQN-AWEZNQCLSA-N 0 1 288.435 3.889 20 0 CHADMN Fc1ccc(C2=CCN(Cc3ccco3)CC2)cc1 ZINC000179787634 260068774 /nfs/dbraw/zinc/06/87/74/260068774.db2.gz JLHUJFUYRSWRMT-UHFFFAOYSA-N 0 1 257.308 3.708 20 0 CHADMN COCc1ccccc1CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000037500109 260113566 /nfs/dbraw/zinc/11/35/66/260113566.db2.gz KPZVPNWNWRARLN-SUMWQHHRSA-N 0 1 285.387 3.839 20 0 CHADMN CCc1ncc(CN[C@H](C)c2ccc(OC)c(F)c2)s1 ZINC000037924410 260120672 /nfs/dbraw/zinc/12/06/72/260120672.db2.gz ZAEHDARPJSOZEU-SNVBAGLBSA-N 0 1 294.395 3.704 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1sc(C)nc1C ZINC000080692790 260181528 /nfs/dbraw/zinc/18/15/28/260181528.db2.gz UAOFSNBHGYJGKO-SNVBAGLBSA-N 0 1 276.405 3.619 20 0 CHADMN C[C@]1(CNCc2cc(Cl)sc2Cl)CCCO1 ZINC000312614607 260182670 /nfs/dbraw/zinc/18/26/70/260182670.db2.gz BJMSWGJGTQDUKB-LLVKDONJSA-N 0 1 280.220 3.714 20 0 CHADMN CC[C@H](C)N(C)Cc1cc(OC)ccc1Br ZINC000087797888 260228000 /nfs/dbraw/zinc/22/80/00/260228000.db2.gz FTWTWDCQFFZWMQ-JTQLQIEISA-N 0 1 286.213 3.688 20 0 CHADMN CC(C)n1cncc1CNCc1cccc(C(F)(F)F)c1 ZINC000090207494 260238933 /nfs/dbraw/zinc/23/89/33/260238933.db2.gz OTGKIYWFNAJBGC-UHFFFAOYSA-N 0 1 297.324 3.773 20 0 CHADMN CC(C)n1cncc1CNCc1ccccc1C(F)(F)F ZINC000090209175 260239470 /nfs/dbraw/zinc/23/94/70/260239470.db2.gz XEXHHCRVUALAOF-UHFFFAOYSA-N 0 1 297.324 3.773 20 0 CHADMN CCc1cnc(CN[C@H](c2ccccc2)C2CC2)s1 ZINC000091349205 260265530 /nfs/dbraw/zinc/26/55/30/260265530.db2.gz NFMHHOOUVDVSGH-MRXNPFEDSA-N 0 1 272.417 3.946 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(F)cn2)cc1 ZINC000092196159 260267668 /nfs/dbraw/zinc/26/76/68/260267668.db2.gz JRVGZTRFQYRKGO-CHWSQXEVSA-N 0 1 258.340 3.941 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccc(F)cn2)cc1F ZINC000092196011 260268105 /nfs/dbraw/zinc/26/81/05/260268105.db2.gz YAKWKELGPORBGA-QWRGUYRKSA-N 0 1 292.329 3.780 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])oc1CC ZINC000521257617 260281092 /nfs/dbraw/zinc/28/10/92/260281092.db2.gz NACCRYZZTZIEJD-TZMCWYRMSA-N 0 1 293.407 3.941 20 0 CHADMN C[C@@H]1C[C@@H](Nc2ccnc3cc(C(F)(F)F)ccc32)CO1 ZINC000518176057 260349450 /nfs/dbraw/zinc/34/94/50/260349450.db2.gz QMMSLFGWZRMUTJ-MWLCHTKSSA-N 0 1 296.292 3.843 20 0 CHADMN C[C@H](O)C[C@@H]1CCCCN1Cc1cc(F)ccc1Cl ZINC000126466847 260352013 /nfs/dbraw/zinc/35/20/13/260352013.db2.gz YAENWYKNZHKIGE-FZMZJTMJSA-N 0 1 285.790 3.605 20 0 CHADMN C[C@@H](NC[C@H](C)Oc1cccc(Cl)c1)c1nccs1 ZINC000090115858 260456078 /nfs/dbraw/zinc/45/60/78/260456078.db2.gz GIAARLVREZUKJG-WDEREUQCSA-N 0 1 296.823 3.915 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000427209039 260570068 /nfs/dbraw/zinc/57/00/68/260570068.db2.gz LDZGYPLOHPWKIL-CZUORRHYSA-N 0 1 299.418 3.912 20 0 CHADMN CSc1ccc([C@@H](C)N[C@@H](C)c2cnc(C)cn2)cc1 ZINC000427855900 260862065 /nfs/dbraw/zinc/86/20/65/260862065.db2.gz UNZMNRUHZZQNDB-OLZOCXBDSA-N 0 1 287.432 3.919 20 0 CHADMN COc1cccc([C@@H](C)N[C@H](C)c2ccc(F)cn2)c1 ZINC000147767014 260895389 /nfs/dbraw/zinc/89/53/89/260895389.db2.gz HZNJYXYXPRMCRT-VXGBXAGGSA-N 0 1 274.339 3.641 20 0 CHADMN CCOCc1ccc(CN[C@@H](C)c2ccc(C)o2)cc1 ZINC000151646596 260983090 /nfs/dbraw/zinc/98/30/90/260983090.db2.gz DAXMXKRVHWKBRW-AWEZNQCLSA-N 0 1 273.376 3.975 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@H](C)c1ccccn1)CCC2 ZINC000152394595 261063971 /nfs/dbraw/zinc/06/39/71/261063971.db2.gz MLCZLRZDTCNACK-ZWNOBZJWSA-N 0 1 273.405 3.575 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@@H](C)c1ccccn1)CCC2 ZINC000152394417 261064062 /nfs/dbraw/zinc/06/40/62/261064062.db2.gz MLCZLRZDTCNACK-GXFFZTMASA-N 0 1 273.405 3.575 20 0 CHADMN CC[C@@](C)(NCc1cccs1)c1nccs1 ZINC000152631623 261066637 /nfs/dbraw/zinc/06/66/37/261066637.db2.gz PHQBHPMRVLANJI-GFCCVEGCSA-N 0 1 252.408 3.620 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1C[C@H](C)c2c1cccc2C ZINC000153197045 261074927 /nfs/dbraw/zinc/07/49/27/261074927.db2.gz GEUHWUHMTSSZJW-MEDUHNTESA-N 0 1 270.376 3.938 20 0 CHADMN C[C@H](O)C[C@@H]1CCCCN1Cc1ccsc1Cl ZINC000448364786 261128746 /nfs/dbraw/zinc/12/87/46/261128746.db2.gz GTTQXAQOOMKDRI-JQWIXIFHSA-N 0 1 273.829 3.527 20 0 CHADMN CC(C)(F)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000155227664 261099368 /nfs/dbraw/zinc/09/93/68/261099368.db2.gz AAAJGVOHIOJJJC-UHFFFAOYSA-N 0 1 275.327 3.517 20 0 CHADMN CCc1nc(S[C@H]2CCCc3ccc(F)cc32)n[nH]1 ZINC000155366521 261101339 /nfs/dbraw/zinc/10/13/39/261101339.db2.gz NNBRXUQAFOXMQR-LBPRGKRZSA-N 0 1 277.368 3.676 20 0 CHADMN CCc1n[nH]c(S[C@H]2CCCc3ccc(F)cc32)n1 ZINC000155366521 261101340 /nfs/dbraw/zinc/10/13/40/261101340.db2.gz NNBRXUQAFOXMQR-LBPRGKRZSA-N 0 1 277.368 3.676 20 0 CHADMN CCN(Cc1ncc(C(C)(C)C)s1)CC1CC1 ZINC000448334450 261116079 /nfs/dbraw/zinc/11/60/79/261116079.db2.gz INKQZXMAYAASAI-UHFFFAOYSA-N 0 1 252.427 3.673 20 0 CHADMN CC(C)(C)c1cnc(CN2C[C@@H]3CCC[C@H]3C2)s1 ZINC000448335002 261116662 /nfs/dbraw/zinc/11/66/62/261116662.db2.gz NDNZVRBZCPILQB-RYUDHWBXSA-N 0 1 264.438 3.673 20 0 CHADMN CCN(Cc1ncc(C(C)(C)C)s1)C1CCC1 ZINC000448333568 261117377 /nfs/dbraw/zinc/11/73/77/261117377.db2.gz UTQZDXYCWRKGNM-UHFFFAOYSA-N 0 1 252.427 3.815 20 0 CHADMN CC(C)(C)c1cnc(CN2CC[C@@H](C3CC3)C2)s1 ZINC000448345223 261122029 /nfs/dbraw/zinc/12/20/29/261122029.db2.gz QVPFGCGISNCXGD-GFCCVEGCSA-N 0 1 264.438 3.673 20 0 CHADMN COC[C@@H](N[C@H]1CCCc2ccccc21)c1ccc(C)o1 ZINC000156494547 261124523 /nfs/dbraw/zinc/12/45/23/261124523.db2.gz CQJZWXVIPCDKTO-DLBZAZTESA-N 0 1 285.387 3.943 20 0 CHADMN COc1cc(Cl)c(CNCc2ccn(C)c2)cc1Cl ZINC000157572137 261148751 /nfs/dbraw/zinc/14/87/51/261148751.db2.gz LWCCMKBNCOICEX-UHFFFAOYSA-N 0 1 299.201 3.630 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc(C(C)(C)C)no1)C1CCCC1 ZINC000172168323 261152048 /nfs/dbraw/zinc/15/20/48/261152048.db2.gz AULBEBZLHSKNQA-MNOVXSKESA-N 0 1 265.401 3.596 20 0 CHADMN CC(C)=CC(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000158316708 261163574 /nfs/dbraw/zinc/16/35/74/261163574.db2.gz LSSBRTNJAHTYRP-UHFFFAOYSA-N 0 1 272.392 3.563 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)cc1N(C)C)c1cccnc1 ZINC000158547203 261167410 /nfs/dbraw/zinc/16/74/10/261167410.db2.gz ZZYTWBLTMSGXRP-OLZOCXBDSA-N 0 1 287.382 3.699 20 0 CHADMN CCS[C@@H]1CC[C@H](N(C)Cc2ccn(C(C)C)n2)C1 ZINC000174343435 261183413 /nfs/dbraw/zinc/18/34/13/261183413.db2.gz FEFCMDRBCSVELU-LSDHHAIUSA-N 0 1 281.469 3.570 20 0 CHADMN CSc1cc(C)ccc1CN[C@H](C)c1ccccn1 ZINC000159359418 261184255 /nfs/dbraw/zinc/18/42/55/261184255.db2.gz ONDMMFUOKPFYLA-CYBMUJFWSA-N 0 1 272.417 3.963 20 0 CHADMN CCN(Cc1csc([C@@H](C)OC)n1)[C@@H](C)C(C)C ZINC000175133383 261209857 /nfs/dbraw/zinc/20/98/57/261209857.db2.gz KYJSIXUWGKKDOC-NWDGAFQWSA-N 0 1 270.442 3.717 20 0 CHADMN C[C@H]1CCCN1C(=O)c1cc(Cl)c2ccccc2c1O ZINC000175260428 261216246 /nfs/dbraw/zinc/21/62/46/261216246.db2.gz LDUAMKDDLUCYCS-JTQLQIEISA-N 0 1 289.762 3.823 20 0 CHADMN C[C@@H]1CCCN1Cc1csc(CCc2ccccc2)n1 ZINC000175910917 261252455 /nfs/dbraw/zinc/25/24/55/261252455.db2.gz GMPOSYRVPNEZIB-CQSZACIVSA-N 0 1 286.444 3.913 20 0 CHADMN Cc1cc(CC(=O)Nc2cccc(-c3cccs3)c2)n[nH]1 ZINC000176167221 261267117 /nfs/dbraw/zinc/26/71/17/261267117.db2.gz QOUFZNZUBRTPFE-UHFFFAOYSA-N 0 1 297.383 3.628 20 0 CHADMN CCc1noc(C)c1CN(C)[C@H](C)c1ccc(OC)cc1 ZINC000162702515 261291616 /nfs/dbraw/zinc/29/16/16/261291616.db2.gz LQNOVUASIPANFE-GFCCVEGCSA-N 0 1 288.391 3.747 20 0 CHADMN CCn1c2cccc(F)c2nc1CN(C)[C@H](C)C1(C)CC1 ZINC000177217224 261339921 /nfs/dbraw/zinc/33/99/21/261339921.db2.gz KJURRWMQUVUTEJ-GFCCVEGCSA-N 0 1 289.398 3.816 20 0 CHADMN C[C@@H](N(C)Cc1ncc(-c2ccccc2)o1)C1(C)CC1 ZINC000177234344 261342048 /nfs/dbraw/zinc/34/20/48/261342048.db2.gz KMDUYNVRYDWVMJ-CYBMUJFWSA-N 0 1 270.376 3.962 20 0 CHADMN COC[C@@H](N[C@@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000177334189 261347815 /nfs/dbraw/zinc/34/78/15/261347815.db2.gz FRYNHAWBDOEMIX-KBXCAEBGSA-N 0 1 285.387 3.734 20 0 CHADMN c1cn(Cc2ccccc2)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)n1 ZINC000177532900 261361295 /nfs/dbraw/zinc/36/12/95/261361295.db2.gz CKLWMROFAIEXJT-HDICACEKSA-N 0 1 295.430 3.553 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000177556371 261362235 /nfs/dbraw/zinc/36/22/35/261362235.db2.gz JJNBAJHBYRXMHK-UPJWGTAASA-N 0 1 277.412 3.550 20 0 CHADMN C[C@H](NCc1cccs1)c1cccnc1Cl ZINC000166386720 261388183 /nfs/dbraw/zinc/38/81/83/261388183.db2.gz XDTYXBNDOAFYJK-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN CCc1noc(CC)c1CN[C@@H](C)c1cccs1 ZINC000166944795 261396074 /nfs/dbraw/zinc/39/60/74/261396074.db2.gz OWIJWGNVIXXWGK-JTQLQIEISA-N 0 1 264.394 3.712 20 0 CHADMN Cc1ccc(CNC(C)(C)c2ccc(F)c(F)c2)o1 ZINC000175989030 261633084 /nfs/dbraw/zinc/63/30/84/261633084.db2.gz GHCWSIBLWDEBQQ-UHFFFAOYSA-N 0 1 265.303 3.891 20 0 CHADMN CN(Cc1nnc(-c2ccccc2Cl)o1)C1CCCC1 ZINC000185478092 262056431 /nfs/dbraw/zinc/05/64/31/262056431.db2.gz IDIGCVWBKJAWEH-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN CC1(C)CCC[C@H]1NCc1ncc(-c2ccccc2)cn1 ZINC000186052125 262077299 /nfs/dbraw/zinc/07/72/99/262077299.db2.gz LZSKDCNXADQTEC-MRXNPFEDSA-N 0 1 281.403 3.812 20 0 CHADMN COc1ccsc1[C@H](C)NCc1ccccc1F ZINC000186079417 262078183 /nfs/dbraw/zinc/07/81/83/262078183.db2.gz MSCYZBVAQGUKMC-JTQLQIEISA-N 0 1 265.353 3.747 20 0 CHADMN COc1ccsc1[C@H](C)NCc1ccc(C)c(OC)c1 ZINC000186133014 262080761 /nfs/dbraw/zinc/08/07/61/262080761.db2.gz WUBFYCSPHQUINL-LBPRGKRZSA-N 0 1 291.416 3.925 20 0 CHADMN CN(Cc1ccco1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186250538 262085847 /nfs/dbraw/zinc/08/58/47/262085847.db2.gz ROXJOGBATVRDJN-UHFFFAOYSA-N 0 1 287.359 3.557 20 0 CHADMN C[C@@H]1CC[C@H](N[C@@H](CCO)c2ccco2)c2ccccc21 ZINC000186514572 262096494 /nfs/dbraw/zinc/09/64/94/262096494.db2.gz YEELRKHEWDXWLE-COXVUDFISA-N 0 1 285.387 3.931 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@H]2N[C@@H](CCO)c1ccco1 ZINC000186530335 262096874 /nfs/dbraw/zinc/09/68/74/262096874.db2.gz BODLCJQSQCNGAC-VNQPRFMTSA-N 0 1 285.387 3.850 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](CCO)c1ccco1)[C@@H](C)C2 ZINC000186543676 262098378 /nfs/dbraw/zinc/09/83/78/262098378.db2.gz DRCIMVIKUPCEQX-QANKJYHBSA-N 0 1 285.387 3.535 20 0 CHADMN CCOCC(C)(C)CNc1ccnc(C)c1Cl ZINC000310331962 262144842 /nfs/dbraw/zinc/14/48/42/262144842.db2.gz BWVLYZRFPXWYNC-UHFFFAOYSA-N 0 1 256.777 3.518 20 0 CHADMN CC[C@H](CNCc1c(Cl)cccc1Cl)OC ZINC000390217572 262157939 /nfs/dbraw/zinc/15/79/39/262157939.db2.gz XZQLTMDTIHSTCN-SECBINFHSA-N 0 1 262.180 3.508 20 0 CHADMN COCCC(C)(C)CNc1ccnc(C)c1Cl ZINC000310476503 262160723 /nfs/dbraw/zinc/16/07/23/262160723.db2.gz BWYQEMDQTUBUQE-UHFFFAOYSA-N 0 1 256.777 3.518 20 0 CHADMN CC(C)c1noc([C@H](C)N[C@H]2CC[C@@H](C)C[C@H]2C)n1 ZINC000119535573 262167825 /nfs/dbraw/zinc/16/78/25/262167825.db2.gz MZNSGDWNHJIENA-NDBYEHHHSA-N 0 1 265.401 3.668 20 0 CHADMN CC(C)[C@H](NCc1cc(F)cc(F)c1)c1ccc(F)cn1 ZINC000497521495 262172407 /nfs/dbraw/zinc/17/24/07/262172407.db2.gz LBQSGZHXDLVKPX-INIZCTEOSA-N 0 1 294.320 3.986 20 0 CHADMN CCC[C@@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000499480096 262185256 /nfs/dbraw/zinc/18/52/56/262185256.db2.gz PAVQFMODSHNTGK-OAHLLOKOSA-N 0 1 297.402 3.872 20 0 CHADMN Cc1cccc(CNCc2ccccc2OC(F)F)c1 ZINC000020134350 262231983 /nfs/dbraw/zinc/23/19/83/262231983.db2.gz RJDNWWOVBXUDGO-UHFFFAOYSA-N 0 1 277.314 3.886 20 0 CHADMN CCC(C)(C)[C@@H]1CCCN1C(=O)c1c(O)cccc1F ZINC000185464393 262304925 /nfs/dbraw/zinc/30/49/25/262304925.db2.gz IHHZGOBNTUJBQN-ZDUSSCGKSA-N 0 1 279.355 3.572 20 0 CHADMN CC(C)n1ccnc1CN1CCC(C)(C(C)C)CC1 ZINC000186193994 262312824 /nfs/dbraw/zinc/31/28/24/262312824.db2.gz XLVISMLZNIHXJY-UHFFFAOYSA-N 0 1 263.429 3.722 20 0 CHADMN C[C@H]1C[C@@H]1CN(Cc1c(F)cccc1F)C1CC1 ZINC000488528291 262330151 /nfs/dbraw/zinc/33/01/51/262330151.db2.gz AAGXASPWMTZNGQ-WDEREUQCSA-N 0 1 251.320 3.585 20 0 CHADMN COc1ccc(CN[C@H](C)c2cccc(F)c2F)cc1 ZINC000121963237 262341134 /nfs/dbraw/zinc/34/11/34/262341134.db2.gz LYSAELLPQWGYMN-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN Cc1ccc2nc(CNC(=O)C[C@H]3CCCC[C@@H]3C)[nH]c2c1 ZINC000525799431 262356552 /nfs/dbraw/zinc/35/65/52/262356552.db2.gz LZPVCKHKZQFFFO-UONOGXRCSA-N 0 1 299.418 3.704 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1ccnc(C)c1 ZINC000391217056 262391343 /nfs/dbraw/zinc/39/13/43/262391343.db2.gz XHHVUMKCNPTCCC-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN COC(=O)c1cc(CN[C@@H](C)c2cccc(C)c2)cs1 ZINC000411877968 262708913 /nfs/dbraw/zinc/70/89/13/262708913.db2.gz QZGGPIDVYNEDFV-LBPRGKRZSA-N 0 1 289.400 3.694 20 0 CHADMN C[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1ccn(C)n1 ZINC000414066656 262800117 /nfs/dbraw/zinc/80/01/17/262800117.db2.gz HHECKGJDCGHVMQ-SJCJKPOMSA-N 0 1 287.382 3.751 20 0 CHADMN CCCC[C@H](NCc1ccn(CC)n1)c1ccccc1 ZINC000414212917 262826348 /nfs/dbraw/zinc/82/63/48/262826348.db2.gz TULALJYAPSMKAQ-KRWDZBQOSA-N 0 1 271.408 3.924 20 0 CHADMN CCn1ccnc1NCc1cc(Cl)cc(Cl)c1 ZINC000414295549 262838188 /nfs/dbraw/zinc/83/81/88/262838188.db2.gz FXXADBWPVQRDKR-UHFFFAOYSA-N 0 1 270.163 3.822 20 0 CHADMN Cc1ccc(CNC2(c3ccc(Cl)cc3)CCC2)nn1 ZINC000414316237 262842645 /nfs/dbraw/zinc/84/26/45/262842645.db2.gz HPIMOPDDNQHYRB-UHFFFAOYSA-N 0 1 287.794 3.607 20 0 CHADMN CCOc1ccccc1CN[C@H]1CCc2c1cccc2OC ZINC000268815914 262958704 /nfs/dbraw/zinc/95/87/04/262958704.db2.gz GBESZJPISDORTN-KRWDZBQOSA-N 0 1 297.398 3.871 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1CNCc1nccc(C(F)(F)F)n1 ZINC000414509877 262971622 /nfs/dbraw/zinc/97/16/22/262971622.db2.gz STBJMJSGCIPQCV-RYUDHWBXSA-N 0 1 299.340 3.577 20 0 CHADMN CC(C)OCC(C)(C)NCc1nc2c(s1)C[C@H](C)CC2 ZINC000414550716 262990480 /nfs/dbraw/zinc/99/04/80/262990480.db2.gz NQFYEXYGRLLIPE-GFCCVEGCSA-N 0 1 296.480 3.561 20 0 CHADMN c1cc(CN[C@H](CC2CCC2)c2ccccc2)on1 ZINC000272545702 263006398 /nfs/dbraw/zinc/00/63/98/263006398.db2.gz OBQYTMFYHICUOI-MRXNPFEDSA-N 0 1 256.349 3.696 20 0 CHADMN CCC(CC)[C@H](C)c1nc([C@H](N)CC(C)C)no1 ZINC000414611563 263009416 /nfs/dbraw/zinc/00/94/16/263009416.db2.gz CJVXABJVBVZBFL-CMPLNLGQSA-N 0 1 253.390 3.655 20 0 CHADMN Cc1cccc(-c2nc([C@@H](N)CC(C)C)no2)c1Cl ZINC000414616906 263010504 /nfs/dbraw/zinc/01/05/04/263010504.db2.gz KWKSPFPMFAFYSQ-NSHDSACASA-N 0 1 279.771 3.744 20 0 CHADMN Cc1oc(C(C)C)cc1-c1nc([C@H](N)CC(C)C)no1 ZINC000414622228 263014698 /nfs/dbraw/zinc/01/46/98/263014698.db2.gz SENNFPLIWIUPDO-GFCCVEGCSA-N 0 1 277.368 3.807 20 0 CHADMN Cc1cc(C)cc(/C=C\c2nc([C@@H](N)CC(C)C)no2)c1 ZINC000414624789 263014778 /nfs/dbraw/zinc/01/47/78/263014778.db2.gz VZGKWVVKRLFGPS-YVACAVLKSA-N 0 1 285.391 3.903 20 0 CHADMN CC1=C[C@@H](C)C[N@@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000430266783 263015470 /nfs/dbraw/zinc/01/54/70/263015470.db2.gz HTLOOUIFLMRQMA-CQSZACIVSA-N 0 1 294.398 3.676 20 0 CHADMN CC1=C[C@@H](C)CN(CC(=O)Nc2cccc3ccccc32)C1 ZINC000430266783 263015471 /nfs/dbraw/zinc/01/54/71/263015471.db2.gz HTLOOUIFLMRQMA-CQSZACIVSA-N 0 1 294.398 3.676 20 0 CHADMN Cc1cc(/C=C\c2nc([C@H](N)CC(C)C)no2)ccc1F ZINC000414628847 263016893 /nfs/dbraw/zinc/01/68/93/263016893.db2.gz SPXFQONTEGJNFA-BRLPQQTGSA-N 0 1 289.354 3.733 20 0 CHADMN Cc1cc(/C=C\c2nc([C@@H](N)CC(C)C)no2)ccc1F ZINC000414628854 263017085 /nfs/dbraw/zinc/01/70/85/263017085.db2.gz SPXFQONTEGJNFA-VSKVDJIOSA-N 0 1 289.354 3.733 20 0 CHADMN C[N@@H+](CCCC(=O)[O-])Cc1ccc(-c2ccccc2)s1 ZINC000414638613 263018936 /nfs/dbraw/zinc/01/89/36/263018936.db2.gz OHXYAHTZFCGSDA-UHFFFAOYSA-N 0 1 289.400 3.712 20 0 CHADMN Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000414644054 263019712 /nfs/dbraw/zinc/01/97/12/263019712.db2.gz YSDPNDCKCUKQKM-OAHLLOKOSA-N 0 1 297.398 3.756 20 0 CHADMN Cc1cnn(C)c1CNC1(c2ccc(Cl)cc2)CCC1 ZINC000285389382 263092719 /nfs/dbraw/zinc/09/27/19/263092719.db2.gz HJCWDEACLOWFGZ-UHFFFAOYSA-N 0 1 289.810 3.551 20 0 CHADMN CCc1ncc(CNCc2ccc(CSC)cc2)s1 ZINC000285498426 263093512 /nfs/dbraw/zinc/09/35/12/263093512.db2.gz MYLJFIFPDNQNHA-UHFFFAOYSA-N 0 1 292.473 3.858 20 0 CHADMN CCN(C[C@@H](C)OC)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000291117932 263120429 /nfs/dbraw/zinc/12/04/29/263120429.db2.gz AOYMROYZJYXUFN-KGLIPLIRSA-N 0 1 288.391 3.759 20 0 CHADMN CC[C@H]1C[C@H](C)CN1Cc1nc(Cc2ccccc2C)no1 ZINC000430505365 263125225 /nfs/dbraw/zinc/12/52/25/263125225.db2.gz QBKVPEDTVOGEFZ-BBRMVZONSA-N 0 1 299.418 3.589 20 0 CHADMN Cc1sccc1CN[C@@H]1CCOc2ccc(F)cc21 ZINC000293468259 263141244 /nfs/dbraw/zinc/14/12/44/263141244.db2.gz DVMCWNIGPRWBJK-CQSZACIVSA-N 0 1 277.364 3.809 20 0 CHADMN CCn1cc([C@H](C)N[C@@H](C)c2ccc3ccccc3n2)cn1 ZINC000296107824 263185673 /nfs/dbraw/zinc/18/56/73/263185673.db2.gz ZHHMGSFRRVEAAI-KBPBESRZSA-N 0 1 294.402 3.863 20 0 CHADMN CCCCc1noc(CNc2ccc3cnccc3c2)n1 ZINC000297056821 263200490 /nfs/dbraw/zinc/20/04/90/263200490.db2.gz VUNZICZHEPMVSX-UHFFFAOYSA-N 0 1 282.347 3.573 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H]1C[C@H](C)n3ccnc31)CCC2 ZINC000297330639 263203544 /nfs/dbraw/zinc/20/35/44/263203544.db2.gz NXROGHIZZNZZJM-RRQGHBQHSA-N 0 1 281.403 3.865 20 0 CHADMN CC[C@H](NC1CCc2ccccc2CC1)C(F)F ZINC000453245604 263207602 /nfs/dbraw/zinc/20/76/02/263207602.db2.gz LKRUMXUGDPYQLC-AWEZNQCLSA-N 0 1 253.336 3.567 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H](C)c1sccc1C ZINC000453343721 263242326 /nfs/dbraw/zinc/24/23/26/263242326.db2.gz IRRHLMHAGRTOBJ-NEPJUHHUSA-N 0 1 263.410 3.685 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2cc(C)cc(C)c2)o1 ZINC000453367411 263253958 /nfs/dbraw/zinc/25/39/58/263253958.db2.gz MLQMGCRSIWLZOX-ZDUSSCGKSA-N 0 1 258.365 3.705 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2nccnc2C)c(C)s1 ZINC000187727631 263267165 /nfs/dbraw/zinc/26/71/65/263267165.db2.gz RTDFBQITRQLUJA-JQWIXIFHSA-N 0 1 275.421 3.875 20 0 CHADMN CC[C@H](C)[C@H](NCc1ncc[nH]1)c1ccc(Cl)cc1 ZINC000341869519 263360497 /nfs/dbraw/zinc/36/04/97/263360497.db2.gz BJJKFBCXLKZTFS-NHYWBVRUSA-N 0 1 277.799 3.940 20 0 CHADMN CC(C)c1ncc(CN2CCC[C@@H](OCC3CC3)C2)s1 ZINC000428392264 263811146 /nfs/dbraw/zinc/81/11/46/263811146.db2.gz YUPRHUBJLWHRIF-CQSZACIVSA-N 0 1 294.464 3.658 20 0 CHADMN CC(C)n1cncc1CN1CCC[C@@H]1c1cccs1 ZINC000425327026 263906215 /nfs/dbraw/zinc/90/62/15/263906215.db2.gz RALGUOYOFGAHBQ-CQSZACIVSA-N 0 1 275.421 3.863 20 0 CHADMN CC[C@H](CCO)Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000125439808 264008722 /nfs/dbraw/zinc/00/87/22/264008722.db2.gz IFRXLARSWMTWHB-LLVKDONJSA-N 0 1 298.308 3.827 20 0 CHADMN Cc1[nH]ncc1CNC(=O)[C@H](CC1CCCCC1)C(C)C ZINC000330795852 264040005 /nfs/dbraw/zinc/04/00/05/264040005.db2.gz FHQTYBQAANVANY-MRXNPFEDSA-N 0 1 291.439 3.577 20 0 CHADMN CCC1(c2ccccc2)CN(Cc2cncn2C(C)C)C1 ZINC000425370127 264214309 /nfs/dbraw/zinc/21/43/09/264214309.db2.gz NJCPEHTXSDAPLC-UHFFFAOYSA-N 0 1 283.419 3.628 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@@H]1COCc3ccccc31)CC2 ZINC000417404065 264216711 /nfs/dbraw/zinc/21/67/11/264216711.db2.gz OQDNQBCXZJGOSM-RTBURBONSA-N 0 1 295.382 3.544 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@H]1COCc3ccccc31)CC2 ZINC000417404062 264217041 /nfs/dbraw/zinc/21/70/41/264217041.db2.gz OQDNQBCXZJGOSM-OALUTQOASA-N 0 1 295.382 3.544 20 0 CHADMN CCN(C)[C@H](C(=O)N(C)c1cccc(C)c1)c1ccccc1 ZINC000518820233 264224646 /nfs/dbraw/zinc/22/46/46/264224646.db2.gz FBMRLFIVTDPYNM-SFHVURJKSA-N 0 1 296.414 3.651 20 0 CHADMN CCOc1c(Cl)cccc1CN1CC[C@@H](C)[C@H](OC)C1 ZINC000425958782 264226648 /nfs/dbraw/zinc/22/66/48/264226648.db2.gz PCDFGCINOIASFH-IUODEOHRSA-N 0 1 297.826 3.596 20 0 CHADMN C[C@@H](N[C@H]1CN(C)Cc2ccccc21)c1ccccc1F ZINC000366806012 264235841 /nfs/dbraw/zinc/23/58/41/264235841.db2.gz SAJOHXSDVWPZQL-ACJLOTCBSA-N 0 1 284.378 3.663 20 0 CHADMN Cc1csc([C@H](C)NCc2sccc2C)n1 ZINC000070650060 264237408 /nfs/dbraw/zinc/23/74/08/264237408.db2.gz RJXMSTIUXPWMAN-JTQLQIEISA-N 0 1 252.408 3.672 20 0 CHADMN C[C@H](N[C@@H](C)[C@H]1CC1(C)C)c1nc(Cc2ccccc2)no1 ZINC000425965884 264238338 /nfs/dbraw/zinc/23/83/38/264238338.db2.gz VDVLRVMUWVGTLW-KCQAQPDRSA-N 0 1 299.418 3.746 20 0 CHADMN Cc1cc(NC[C@H]2CCC[C@H](O)C2)c2cc(F)ccc2n1 ZINC000127156728 264241233 /nfs/dbraw/zinc/24/12/33/264241233.db2.gz UXOHMFPPOYMXQK-JSGCOSHPSA-N 0 1 288.366 3.645 20 0 CHADMN CN(Cc1cnn(C)c1)C(c1ccccc1)c1ccccc1 ZINC000343264939 264268755 /nfs/dbraw/zinc/26/87/55/264268755.db2.gz YQCHCOYNLDFCHM-UHFFFAOYSA-N 0 1 291.398 3.642 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1nc(-c2ccccc2F)no1 ZINC000189019609 264269267 /nfs/dbraw/zinc/26/92/67/264269267.db2.gz JVAXQPMEJKAIKS-RYUDHWBXSA-N 0 1 289.354 3.639 20 0 CHADMN C[N@@H+](CCC1CCOCC1)Cc1cc(F)ccc1Cl ZINC000189108007 264272935 /nfs/dbraw/zinc/27/29/35/264272935.db2.gz GZVHUTGICDZRMQ-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN CN(CCC1CCOCC1)Cc1cc(F)ccc1Cl ZINC000189108007 264272936 /nfs/dbraw/zinc/27/29/36/264272936.db2.gz GZVHUTGICDZRMQ-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN CCc1ccc(CNCc2cccc(CSC)c2)o1 ZINC000189491965 264302694 /nfs/dbraw/zinc/30/26/94/264302694.db2.gz CVKUMYGQYCUZFN-UHFFFAOYSA-N 0 1 275.417 3.995 20 0 CHADMN CC[C@H]1CCCN(C(=O)c2c[nH]c3c(C)cccc3c2=O)C1 ZINC000162102123 264310094 /nfs/dbraw/zinc/31/00/94/264310094.db2.gz FRJOAASZTYQTSF-ZDUSSCGKSA-N 0 1 298.386 3.511 20 0 CHADMN CO[C@@H](CN1CC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000425427339 264314981 /nfs/dbraw/zinc/31/49/81/264314981.db2.gz UIMWGXOFXHFRAO-GJZGRUSLSA-N 0 1 265.784 3.512 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@@H]1NCc1nc(C(F)F)no1 ZINC000425444658 264324127 /nfs/dbraw/zinc/32/41/27/264324127.db2.gz MUVVWAYVGYOECM-QWRGUYRKSA-N 0 1 287.354 3.702 20 0 CHADMN CC(C)(C)CN(Cc1nc(C(F)F)no1)CC(C)(C)C ZINC000425459125 264330100 /nfs/dbraw/zinc/33/01/00/264330100.db2.gz OHHWXFBXJIMTHC-UHFFFAOYSA-N 0 1 289.370 3.901 20 0 CHADMN CN(Cc1nc(C(F)F)no1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000425478455 264348001 /nfs/dbraw/zinc/34/80/01/264348001.db2.gz PDQHKDYAWCXCEQ-ZJUUUORDSA-N 0 1 287.354 3.654 20 0 CHADMN Cc1ccc(CNCc2cc(Br)ccc2C)o1 ZINC000190298318 264357541 /nfs/dbraw/zinc/35/75/41/264357541.db2.gz UROUYCHLJOPJMZ-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN Cc1cc(NCC2(CCO)CCC2)c2cc(F)ccc2n1 ZINC000132635146 264398295 /nfs/dbraw/zinc/39/82/95/264398295.db2.gz RYQUHNRXMPGCLP-UHFFFAOYSA-N 0 1 288.366 3.647 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccccn1)CCC2 ZINC000165949839 265068740 /nfs/dbraw/zinc/06/87/40/265068740.db2.gz NDTISMHQKHLSJL-KRWDZBQOSA-N 0 1 252.361 3.557 20 0 CHADMN CC(C)c1nc([C@H](C)NCC2([C@@H](O)C(C)C)CC2)cs1 ZINC000346536778 265112549 /nfs/dbraw/zinc/11/25/49/265112549.db2.gz RELCTCGCKAXNNV-JSGCOSHPSA-N 0 1 296.480 3.714 20 0 CHADMN CC(C)(C)c1csc(CN(CCO)C2CCCCC2)n1 ZINC000094975993 265281799 /nfs/dbraw/zinc/28/17/99/265281799.db2.gz FEGYCRMCVJGYIB-UHFFFAOYSA-N 0 1 296.480 3.568 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000519149791 265337973 /nfs/dbraw/zinc/33/79/73/265337973.db2.gz JOJJHDHBLAGTQK-NVBFEUDRSA-N 0 1 283.774 3.651 20 0 CHADMN COc1ccc2c(c1)CN(C/C=C\c1ccccc1)CC2 ZINC000519215942 265367947 /nfs/dbraw/zinc/36/79/47/265367947.db2.gz RKRCLAYNKKFWQJ-YVMONPNESA-N 0 1 279.383 3.767 20 0 CHADMN C[C@H](O)CN(Cc1cc(Cl)cs1)Cc1ccccc1 ZINC000519858829 265628432 /nfs/dbraw/zinc/62/84/32/265628432.db2.gz WCMDDVZOVCRCIP-LBPRGKRZSA-N 0 1 295.835 3.785 20 0 CHADMN Cc1nccc(NCc2coc(-c3ccccc3)n2)c1Cl ZINC000353165397 266035482 /nfs/dbraw/zinc/03/54/82/266035482.db2.gz SZCBTHXPRNFWMN-UHFFFAOYSA-N 0 1 299.761 3.732 20 0 CHADMN COc1cccc([C@H](C)N(C)Cc2cnccc2C)c1 ZINC000353384063 266038264 /nfs/dbraw/zinc/03/82/64/266038264.db2.gz RWKSPQJWJZLPFU-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN Fc1cc(F)cc(CN2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000356272349 266084282 /nfs/dbraw/zinc/08/42/82/266084282.db2.gz CWEUPVSAZXOBSI-HNNXBMFYSA-N 0 1 263.331 3.729 20 0 CHADMN Cc1cn[nH]c1CN1CC[C@@H](C)Sc2ccccc21 ZINC000356302053 266091099 /nfs/dbraw/zinc/09/10/99/266091099.db2.gz LQLAZIXEXYWUKS-GFCCVEGCSA-N 0 1 273.405 3.609 20 0 CHADMN Cc1cc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)ccc1F ZINC000356523625 266130620 /nfs/dbraw/zinc/13/06/20/266130620.db2.gz MCRSLIIQURSIEG-IRXDYDNUSA-N 0 1 289.394 3.668 20 0 CHADMN Cc1cc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccc1F ZINC000356523624 266130741 /nfs/dbraw/zinc/13/07/41/266130741.db2.gz MCRSLIIQURSIEG-IAGOWNOFSA-N 0 1 289.394 3.668 20 0 CHADMN Cc1cnn([C@@H]2CCN(Cc3ccc(C)c(Cl)c3)C2)c1 ZINC000356529335 266131943 /nfs/dbraw/zinc/13/19/43/266131943.db2.gz QTXYVVWOSABEHW-OAHLLOKOSA-N 0 1 289.810 3.600 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cnccc2C)cc1F ZINC000356667795 266157199 /nfs/dbraw/zinc/15/71/99/266157199.db2.gz BGBTZGXPNJKVRH-QWHCGFSZSA-N 0 1 288.366 3.950 20 0 CHADMN CC[C@@]1(C)C[C@@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000356996527 266226878 /nfs/dbraw/zinc/22/68/78/266226878.db2.gz UEKXQXLODZNMGH-BMIGLBTASA-N 0 1 268.320 3.517 20 0 CHADMN C[C@H](O)CCN(C)Cc1ccc(-c2ccccc2)cc1F ZINC000357003660 266230561 /nfs/dbraw/zinc/23/05/61/266230561.db2.gz ZQNBXPFSSGJIAE-AWEZNQCLSA-N 0 1 287.378 3.695 20 0 CHADMN Cc1nc(CN2CC[C@H](C)C3(CCC3)C2)c(C)s1 ZINC000357012103 266231448 /nfs/dbraw/zinc/23/14/48/266231448.db2.gz PTFLVICTMWODNP-NSHDSACASA-N 0 1 264.438 3.772 20 0 CHADMN CCc1noc([C@@H](C)N2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000114494722 266307419 /nfs/dbraw/zinc/30/74/19/266307419.db2.gz GXKSTVBULJTCAU-CJNGLKHVSA-N 0 1 275.396 3.515 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1csc(C2CC2)n1 ZINC000357556336 266323341 /nfs/dbraw/zinc/32/33/41/266323341.db2.gz VTFAOCRYFIOZTF-MFKMUULPSA-N 0 1 250.411 3.783 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1nnc(Cc2ccccc2C)o1 ZINC000357556533 266323827 /nfs/dbraw/zinc/32/38/27/266323827.db2.gz UXXKVOZSYBAWFD-ZBFHGGJFSA-N 0 1 299.418 3.732 20 0 CHADMN Cc1ccc(-c2cc(-c3nc([C@@H](C)C4CC4)no3)[nH]n2)o1 ZINC000357601584 266333797 /nfs/dbraw/zinc/33/37/97/266333797.db2.gz YTDJWXGOZNHMQU-VIFPVBQESA-N 0 1 284.319 3.542 20 0 CHADMN C[C@H](c1cccnc1)N(C)CCO[C@H]1CCCC[C@H]1C ZINC000357615988 266337488 /nfs/dbraw/zinc/33/74/88/266337488.db2.gz WBUHVVCFUUIOPC-INMHGKMJSA-N 0 1 276.424 3.670 20 0 CHADMN COc1c(C)cnc(CN2Cc3ccccc3C[C@H]2C)c1C ZINC000357784854 266361901 /nfs/dbraw/zinc/36/19/01/266361901.db2.gz RFHSBMQOIRAFSO-CQSZACIVSA-N 0 1 296.414 3.654 20 0 CHADMN Cc1occc1CN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000358017823 266398583 /nfs/dbraw/zinc/39/85/83/266398583.db2.gz ITOOCNIQSRTKPN-CYBMUJFWSA-N 0 1 281.359 3.625 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2cn(C)nc2C(F)F)C1 ZINC000361176103 266796104 /nfs/dbraw/zinc/79/61/04/266796104.db2.gz CDBIYBYPOWRZSM-OAHLLOKOSA-N 0 1 285.382 3.760 20 0 CHADMN COc1ccc(CN2CCC(c3ccsc3)CC2)cn1 ZINC000362603522 267019588 /nfs/dbraw/zinc/01/95/88/267019588.db2.gz NRCLRQVWVBNZRR-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN C[C@@H](NCc1cc2ccc(F)cc2[nH]1)c1ccccn1 ZINC000362928932 267061872 /nfs/dbraw/zinc/06/18/72/267061872.db2.gz YAXQSBVYGDBBJK-LLVKDONJSA-N 0 1 269.323 3.553 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1cc2ccc(F)cc2[nH]1 ZINC000362932606 267063376 /nfs/dbraw/zinc/06/33/76/267063376.db2.gz XKBMQQINPAEAFV-LLVKDONJSA-N 0 1 299.349 3.561 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@H]1NCc1cc2ccccc2[nH]1 ZINC000367402718 267075473 /nfs/dbraw/zinc/07/54/73/267075473.db2.gz SZOYIORSRMIGDZ-SGTLLEGYSA-N 0 1 278.355 3.780 20 0 CHADMN CCOc1ccccc1[C@H](CC)N[C@@H]1CCCc2n[nH]cc21 ZINC000367535019 267097308 /nfs/dbraw/zinc/09/73/08/267097308.db2.gz ZTCLWUCCFPYWER-JKSUJKDBSA-N 0 1 299.418 3.927 20 0 CHADMN c1c[nH]c([C@H](NCc2ccsc2)C2CCCCC2)n1 ZINC000367612838 267104421 /nfs/dbraw/zinc/10/44/21/267104421.db2.gz BIEAPBAEMHFFKY-CQSZACIVSA-N 0 1 275.421 3.882 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CN(C)Cc3ccccc32)oc1C ZINC000368522174 267179515 /nfs/dbraw/zinc/17/95/15/267179515.db2.gz LXZFGYRGXLDHME-DYVFJYSZSA-N 0 1 284.403 3.734 20 0 CHADMN C[C@H](Sc1nc(-c2ccccn2)n[nH]1)c1ccccc1 ZINC000117115989 267202764 /nfs/dbraw/zinc/20/27/64/267202764.db2.gz DDDQVWQKBTUAIR-NSHDSACASA-N 0 1 282.372 3.720 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC(c2cn[nH]c2)CC1 ZINC000369232446 267227690 /nfs/dbraw/zinc/22/76/90/267227690.db2.gz YSMDULUDISCULV-NSHDSACASA-N 0 1 291.345 3.629 20 0 CHADMN C[C@H](NCc1ccccc1OC1CCC1)c1cccnc1 ZINC000118442879 267253835 /nfs/dbraw/zinc/25/38/35/267253835.db2.gz HAVPTTRCRGQFLM-AWEZNQCLSA-N 0 1 282.387 3.864 20 0 CHADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cnc(C(F)(F)F)s1 ZINC000418119173 267260514 /nfs/dbraw/zinc/26/05/14/267260514.db2.gz GCOKBTQCFNLPKM-HRDYMLBCSA-N 0 1 278.343 3.638 20 0 CHADMN c1ccc2c(c1)nccc2N1CCC[C@H]1c1cccnc1 ZINC000370089210 267289795 /nfs/dbraw/zinc/28/97/95/267289795.db2.gz LLMLTQJSQFZZSG-KRWDZBQOSA-N 0 1 275.355 3.971 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cncc(F)c2)cc1F ZINC000119097314 267296401 /nfs/dbraw/zinc/29/64/01/267296401.db2.gz VPUCLGAMEYAFPE-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1cnccn1 ZINC000119321628 267321542 /nfs/dbraw/zinc/32/15/42/267321542.db2.gz YHVOFRMNBGDVLJ-PXAZEXFGSA-N 0 1 285.366 3.808 20 0 CHADMN Cc1cncc(CN2CC=C(c3ccc(Cl)nc3)CC2)c1 ZINC000370692604 267339764 /nfs/dbraw/zinc/33/97/64/267339764.db2.gz TWOFKCAFLMRVSB-UHFFFAOYSA-N 0 1 299.805 3.728 20 0 CHADMN COCCCCN(C)Cc1coc(-c2ccc(C)cc2)n1 ZINC000418134535 267359202 /nfs/dbraw/zinc/35/92/02/267359202.db2.gz NLDPRRNPXPYGDY-UHFFFAOYSA-N 0 1 288.391 3.508 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2CCC3(CC3)CC2)c(C)c1 ZINC000371333840 267391948 /nfs/dbraw/zinc/39/19/48/267391948.db2.gz FGMXDLDISLTRCJ-HNNXBMFYSA-N 0 1 286.419 3.506 20 0 CHADMN CCS[C@H](C)c1noc(CN(CC)[C@@H](C)C(C)C)n1 ZINC000123107479 268000096 /nfs/dbraw/zinc/00/00/96/268000096.db2.gz KXQSSPJQCZRHJO-NWDGAFQWSA-N 0 1 285.457 3.750 20 0 CHADMN Cc1cncc(CNCc2ccc(-c3ccccc3)o2)c1 ZINC000123226659 268017410 /nfs/dbraw/zinc/01/74/10/268017410.db2.gz DPSAWTNXTTUEIT-UHFFFAOYSA-N 0 1 278.355 3.940 20 0 CHADMN COc1ccc(-c2cnc(CN3CCC4(CCC4)C3)o2)cc1 ZINC000123426734 268052165 /nfs/dbraw/zinc/05/21/65/268052165.db2.gz IPDJBLCIQZGBQR-UHFFFAOYSA-N 0 1 298.386 3.726 20 0 CHADMN COC1(CNc2ccc3c(c2)nc(C)n3C)CCCCC1 ZINC000570874955 327630300 /nfs/dbraw/zinc/63/03/00/327630300.db2.gz ABMRZBKFJJUPTK-UHFFFAOYSA-N 0 1 287.407 3.643 20 0 CHADMN Cc1ncc(CNCc2cscc2C(F)(F)F)s1 ZINC000352836585 328812776 /nfs/dbraw/zinc/81/27/76/328812776.db2.gz UZWQYPUARGZHGL-UHFFFAOYSA-N 0 1 292.351 3.822 20 0 CHADMN C[C@H](N[C@@H]1CCCc2sc(Cl)cc21)c1cn[nH]c1 ZINC000229629359 327657937 /nfs/dbraw/zinc/65/79/37/327657937.db2.gz WOFLDTWNTXZFAI-GZMMTYOYSA-N 0 1 281.812 3.853 20 0 CHADMN Cc1nc(C2(NC[C@H]3CCCC[C@H]3C)CCCC2)no1 ZINC000183668108 327764033 /nfs/dbraw/zinc/76/40/33/327764033.db2.gz CUZKRDFDTNACPG-TZMCWYRMSA-N 0 1 277.412 3.563 20 0 CHADMN C[C@@H](NCC[S@](=O)C(C)(C)C)c1ccccc1Cl ZINC000177346927 327789459 /nfs/dbraw/zinc/78/94/59/327789459.db2.gz PRPZXDJSRCFKRJ-ZMZPIMSZSA-N 0 1 287.856 3.538 20 0 CHADMN Cc1cncc([C@@H](C)N[C@H]2CCOc3ccc(F)cc32)c1 ZINC000184402540 327827965 /nfs/dbraw/zinc/82/79/65/327827965.db2.gz YPMCVUORSKZOQP-WBMJQRKESA-N 0 1 286.350 3.704 20 0 CHADMN COC[C@H](NCc1cccc(C)c1)c1ccc(F)cc1 ZINC000531206617 327889669 /nfs/dbraw/zinc/88/96/69/327889669.db2.gz IRZOGSGVKTXNMS-KRWDZBQOSA-N 0 1 273.351 3.611 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H](C)c1ccccc1 ZINC000187078076 327943218 /nfs/dbraw/zinc/94/32/18/327943218.db2.gz TWKMMLWBTVBGIK-OLZOCXBDSA-N 0 1 256.349 3.502 20 0 CHADMN CCCCOC1CCN(Cc2ccc(OC)cc2F)CC1 ZINC000563254283 328001777 /nfs/dbraw/zinc/00/17/77/328001777.db2.gz OLWFJGQARFTHBC-UHFFFAOYSA-N 0 1 295.398 3.615 20 0 CHADMN Fc1ccc(CNCc2ccc(C3CCC3)cc2)nc1 ZINC000339300375 328005556 /nfs/dbraw/zinc/00/55/56/328005556.db2.gz GXDNCACJLIMQJH-UHFFFAOYSA-N 0 1 270.351 3.778 20 0 CHADMN CC(C)C[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000563278052 328006650 /nfs/dbraw/zinc/00/66/50/328006650.db2.gz DZVORESARQKTLI-DOMZBBRYSA-N 0 1 295.810 3.834 20 0 CHADMN Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCCCCC(=O)[O-])c1 ZINC000563281799 328007485 /nfs/dbraw/zinc/00/74/85/328007485.db2.gz DEADZUIAKDFTON-OAHLLOKOSA-N 0 1 277.408 3.941 20 0 CHADMN CC(C)CC[C@@H]1CCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000563282390 328007543 /nfs/dbraw/zinc/00/75/43/328007543.db2.gz KOFYXRIPZVEACZ-ZDUSSCGKSA-N 0 1 281.421 3.847 20 0 CHADMN Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000563284150 328008409 /nfs/dbraw/zinc/00/84/09/328008409.db2.gz RRORAPQZQQDJSK-KBPBESRZSA-N 0 1 299.370 3.664 20 0 CHADMN CCc1ccc(CN[C@@H]2CCc3cc(C)ccc32)o1 ZINC000531611909 328019045 /nfs/dbraw/zinc/01/90/45/328019045.db2.gz QFWCIWYKYCAJCZ-QGZVFWFLSA-N 0 1 255.361 3.928 20 0 CHADMN Cc1cc(OCc2cnc3ccccc3c2)cc(C)n1 ZINC000531699098 328025492 /nfs/dbraw/zinc/02/54/92/328025492.db2.gz PJGFFOBXYGVARH-UHFFFAOYSA-N 0 1 264.328 3.826 20 0 CHADMN Cc1cc(CN[C@@H](CC2CC2)c2ccccc2)on1 ZINC000531703502 328026346 /nfs/dbraw/zinc/02/63/46/328026346.db2.gz HOZJPHLSVJKFNV-INIZCTEOSA-N 0 1 256.349 3.614 20 0 CHADMN C[C@@H](O)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000540962214 328028564 /nfs/dbraw/zinc/02/85/64/328028564.db2.gz YHBIXVIXUFDTHP-ZYHUDNBSSA-N 0 1 288.218 3.586 20 0 CHADMN Cc1ccc(SCCN2CCOC[C@H]2C2CC2)cc1C ZINC000534126385 328034943 /nfs/dbraw/zinc/03/49/43/328034943.db2.gz IKOAMCHBAPOZBS-KRWDZBQOSA-N 0 1 291.460 3.506 20 0 CHADMN C[N@@H+](Cc1cnn2ccccc12)[C@H]1CCCc2ccccc21 ZINC000534332889 328045129 /nfs/dbraw/zinc/04/51/29/328045129.db2.gz AWAOLQBARUPNIX-IBGZPJMESA-N 0 1 291.398 3.844 20 0 CHADMN CCc1ccc(CN2CCc3sccc3C2)s1 ZINC000534331295 328046492 /nfs/dbraw/zinc/04/64/92/328046492.db2.gz GVOUVPLJDRFHDQ-UHFFFAOYSA-N 0 1 263.431 3.930 20 0 CHADMN Cc1cnccc1[NH+]=C([O-])N(C)c1cccc(C(C)C)c1 ZINC000563362407 328058851 /nfs/dbraw/zinc/05/88/51/328058851.db2.gz CGVFTPBZKQDWKJ-UHFFFAOYSA-N 0 1 283.375 3.604 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000563453837 328067580 /nfs/dbraw/zinc/06/75/80/328067580.db2.gz NUYKEGDKWHDXAC-MLGOLLRUSA-N 0 1 293.382 3.925 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccn(C(C)C)n1)CCC2 ZINC000563494427 328070315 /nfs/dbraw/zinc/07/03/15/328070315.db2.gz GKWMGNHSHMBYSM-GOSISDBHSA-N 0 1 283.419 3.940 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccsc2)s1 ZINC000563542208 328072503 /nfs/dbraw/zinc/07/25/03/328072503.db2.gz FYBGUHQECRADCJ-LBPRGKRZSA-N 0 1 293.413 3.845 20 0 CHADMN C[C@@H](NCCCF)c1csc(-c2ccccc2F)n1 ZINC000563579693 328075126 /nfs/dbraw/zinc/07/51/26/328075126.db2.gz FKCWYBSDWFAGIF-SNVBAGLBSA-N 0 1 282.359 3.959 20 0 CHADMN CC(C)C[N@H+](CCC(=O)[O-])CC[C@H]1CCC[C@H](C)C1 ZINC000571219260 328092802 /nfs/dbraw/zinc/09/28/02/328092802.db2.gz AMWWJFJTIWQYSR-LSDHHAIUSA-N 0 1 269.429 3.636 20 0 CHADMN COc1ccc(Cl)cc1[C@@H](C)N[C@H]1CCC[C@H]1F ZINC000571349069 328114385 /nfs/dbraw/zinc/11/43/85/328114385.db2.gz AWWHISCVVQGOSZ-WQAKAFBOSA-N 0 1 271.763 3.890 20 0 CHADMN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1cc(C)ccc1F ZINC000571365539 328116855 /nfs/dbraw/zinc/11/68/55/328116855.db2.gz OHDZFRMHUYRZNB-INIZCTEOSA-N 0 1 287.382 3.811 20 0 CHADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000571410343 328120124 /nfs/dbraw/zinc/12/01/24/328120124.db2.gz RXJMMGXIXUEJCU-HKUYNNGSSA-N 0 1 299.414 3.943 20 0 CHADMN Cc1nnsc1CNC1(c2cccc(C)c2)CCCC1 ZINC000571450058 328122588 /nfs/dbraw/zinc/12/25/88/328122588.db2.gz OISJNIXRTNUKFX-UHFFFAOYSA-N 0 1 287.432 3.714 20 0 CHADMN Cc1ccc(CN(C)C[C@@H]2CCC3(CCCC3)O2)o1 ZINC000571583657 328135860 /nfs/dbraw/zinc/13/58/60/328135860.db2.gz WARCMMAHCWUXMF-HNNXBMFYSA-N 0 1 263.381 3.512 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN1CCC(CF)CC1 ZINC000451388286 328137055 /nfs/dbraw/zinc/13/70/55/328137055.db2.gz JMBOMSXCSHVJOO-UHFFFAOYSA-N 0 1 294.395 3.893 20 0 CHADMN Clc1ccc(CN2CC[C@@H]2Cc2ccccc2)o1 ZINC000582502628 329098454 /nfs/dbraw/zinc/09/84/54/329098454.db2.gz KZDIMCQVVBSXAW-CYBMUJFWSA-N 0 1 261.752 3.750 20 0 CHADMN C[C@H](CN=c1[nH]cc(C(F)(F)F)s1)CC(F)(F)F ZINC000413526078 328148367 /nfs/dbraw/zinc/14/83/67/328148367.db2.gz BEYBCMFBNLDGPA-YFKPBYRVSA-N 0 1 292.248 3.584 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cnn(C)c2)ccc1C(F)(F)F ZINC000414362202 328155281 /nfs/dbraw/zinc/15/52/81/328155281.db2.gz UZHPZHWUORVPAP-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN Cc1cc(CN[C@H](C)c2cnn(C)c2)ccc1C(F)(F)F ZINC000414362201 328155355 /nfs/dbraw/zinc/15/53/55/328155355.db2.gz UZHPZHWUORVPAP-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN Cc1occc1CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000414368521 328155983 /nfs/dbraw/zinc/15/59/83/328155983.db2.gz GYLMNVBJXDSUJS-INIZCTEOSA-N 0 1 299.370 3.696 20 0 CHADMN Cc1ccc(CN[C@H]2CC(C)(C)CCc3ccccc32)nn1 ZINC000414444038 328171484 /nfs/dbraw/zinc/17/14/84/328171484.db2.gz FAQFPMHRGBUTPD-SFHVURJKSA-N 0 1 295.430 3.978 20 0 CHADMN COc1cccc([C@H](C)N[C@H](C)c2cnn(C(C)C)c2)c1 ZINC000267186669 328174693 /nfs/dbraw/zinc/17/46/93/328174693.db2.gz CPYMSSAPOODGMM-UONOGXRCSA-N 0 1 287.407 3.884 20 0 CHADMN CCc1ccc([C@H](C)NCc2cn3ccsc3n2)s1 ZINC000268796403 328186009 /nfs/dbraw/zinc/18/60/09/328186009.db2.gz IJRZDFWPWHSPQZ-JTQLQIEISA-N 0 1 291.445 3.871 20 0 CHADMN C[C@H](N[C@H]1CS[C@@H](C(C)(C)C)C1)c1nccs1 ZINC000414497883 328189169 /nfs/dbraw/zinc/18/91/69/328189169.db2.gz VAZPAXFAEKFFHB-HBNTYKKESA-N 0 1 270.467 3.714 20 0 CHADMN COc1cccc2c1CC[C@H]2NCc1ccc(Cl)cn1 ZINC000271808040 328197441 /nfs/dbraw/zinc/19/74/41/328197441.db2.gz AHKYODRKBCJUCM-OAHLLOKOSA-N 0 1 288.778 3.521 20 0 CHADMN CC[C@@H](NCc1ccc(N(C)C)nc1)c1ccccc1F ZINC000272285966 328199759 /nfs/dbraw/zinc/19/97/59/328199759.db2.gz NIXKQMYQJSAEIS-MRXNPFEDSA-N 0 1 287.382 3.528 20 0 CHADMN CC(C)c1ccc(-c2nc(C3(N)CCCC3)no2)s1 ZINC000414621073 328204273 /nfs/dbraw/zinc/20/42/73/328204273.db2.gz QUMBJSPLDCLNOC-UHFFFAOYSA-N 0 1 277.393 3.650 20 0 CHADMN C[C@@H](CCC(C)(C)C)c1nc(C2(N)CCCC2)no1 ZINC000414620544 328204310 /nfs/dbraw/zinc/20/43/10/328204310.db2.gz PZQUDNHPMVTVCQ-NSHDSACASA-N 0 1 265.401 3.727 20 0 CHADMN CCS[C@H](C)c1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000273979022 328207846 /nfs/dbraw/zinc/20/78/46/328207846.db2.gz PHPRVNASHLMZMM-MRVPVSSYSA-N 0 1 290.348 3.534 20 0 CHADMN Fc1cc(F)cc(CN2CCC(c3ccncc3)CC2)c1 ZINC000277205693 328220885 /nfs/dbraw/zinc/22/08/85/328220885.db2.gz MVTHMELYJDRIBQ-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN COc1cc(CN2CCSC(C)(C)C2)ccc1SC ZINC000177505379 329185349 /nfs/dbraw/zinc/18/53/49/329185349.db2.gz OFCVBXVQBYUJCA-UHFFFAOYSA-N 0 1 297.489 3.745 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1Cc1cc(-c2cccs2)on1 ZINC000177899825 329193856 /nfs/dbraw/zinc/19/38/56/329193856.db2.gz OZWDZYXIVFNJCG-WDEREUQCSA-N 0 1 262.378 3.633 20 0 CHADMN Cc1nc(CN(CC(C)C)C2CC2)nc2ccccc12 ZINC000170970294 328236050 /nfs/dbraw/zinc/23/60/50/328236050.db2.gz UEBUVTYZFOQHEQ-UHFFFAOYSA-N 0 1 269.392 3.559 20 0 CHADMN COCCCCCN1CCCn2c(cc3ccccc32)C1 ZINC000287347424 328251070 /nfs/dbraw/zinc/25/10/70/328251070.db2.gz MTYJYGGQIUXESL-UHFFFAOYSA-N 0 1 286.419 3.664 20 0 CHADMN Clc1cnc(CNCCCOC2CCCCC2)s1 ZINC000225303737 329250729 /nfs/dbraw/zinc/25/07/29/329250729.db2.gz HOCYMBMYPZIFCF-UHFFFAOYSA-N 0 1 288.844 3.626 20 0 CHADMN Cc1noc([C@H]2CCCN2CC[C@H](C)c2ccccc2)n1 ZINC000289948839 328256795 /nfs/dbraw/zinc/25/67/95/328256795.db2.gz XRJLWORVWOMRIX-XJKSGUPXSA-N 0 1 285.391 3.709 20 0 CHADMN Cc1nc(C(C)C)ccc1CN[C@@H]1CCc2c1cccc2O ZINC000296996487 328293016 /nfs/dbraw/zinc/29/30/16/328293016.db2.gz ZSYDQRQMSKCWNX-GOSISDBHSA-N 0 1 296.414 3.996 20 0 CHADMN C[C@H](NCc1ccc(OC2CCCCC2)cc1)c1cn[nH]c1 ZINC000297936499 328295143 /nfs/dbraw/zinc/29/51/43/328295143.db2.gz XXTBQGIAFBKQFW-AWEZNQCLSA-N 0 1 299.418 3.972 20 0 CHADMN Cc1noc(C)c1CN[C@@H](CC1CC1)c1ccccc1 ZINC000531950644 328327997 /nfs/dbraw/zinc/32/79/97/328327997.db2.gz PLRYXELQNMGFAD-KRWDZBQOSA-N 0 1 270.376 3.922 20 0 CHADMN C[C@@H]1CN(CCCOc2ccc3ccccc3c2)[C@H](C)CO1 ZINC000303229437 328328318 /nfs/dbraw/zinc/32/83/18/328328318.db2.gz XJKWZOXXEMAKKL-HZPDHXFCSA-N 0 1 299.414 3.718 20 0 CHADMN CC[C@H](C)CN(C)CC(=O)Nc1ccc(C)cc1Cl ZINC000111254678 328340433 /nfs/dbraw/zinc/34/04/33/328340433.db2.gz YAIITSLFNWIGHP-NSHDSACASA-N 0 1 282.815 3.565 20 0 CHADMN CCc1ccc(-c2noc(CN(C)CC3CCC3)n2)cc1 ZINC000111296682 328344876 /nfs/dbraw/zinc/34/48/76/328344876.db2.gz IZCCZRUOKKNBFT-UHFFFAOYSA-N 0 1 285.391 3.531 20 0 CHADMN CC[C@@H](C)CN(C)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000531968607 328357906 /nfs/dbraw/zinc/35/79/06/328357906.db2.gz DPZAAMGASZYEFL-LLVKDONJSA-N 0 1 291.370 3.662 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2ccc(Cl)c(Cl)c2)C[C@@H]1O ZINC000534864221 328365927 /nfs/dbraw/zinc/36/59/27/328365927.db2.gz XYMGFGFXYRDURV-RBZYPMLTSA-N 0 1 288.218 3.757 20 0 CHADMN c1ccc(-c2noc(CN3CCC4(C3)CCCCC4)n2)cc1 ZINC000303907422 328366272 /nfs/dbraw/zinc/36/62/72/328366272.db2.gz MEIHNGDCFJDNSR-UHFFFAOYSA-N 0 1 297.402 3.893 20 0 CHADMN C[C@@H](NCCOC1CCCC1)c1ccc(F)cc1F ZINC000111634057 328369812 /nfs/dbraw/zinc/36/98/12/328369812.db2.gz URIMAQGCKHCXRD-LLVKDONJSA-N 0 1 269.335 3.575 20 0 CHADMN CCN(CCN[C@H](C)c1cscn1)c1cccc(C)c1 ZINC000535065498 328382401 /nfs/dbraw/zinc/38/24/01/328382401.db2.gz UJBIENRCTUOJBB-CQSZACIVSA-N 0 1 289.448 3.629 20 0 CHADMN Cc1cccc(N(C)C(=O)c2ccc(Cl)cc2O)c1 ZINC000049990913 328384997 /nfs/dbraw/zinc/38/49/97/328384997.db2.gz DTMOYOLBKOJUPE-UHFFFAOYSA-N 0 1 275.735 3.631 20 0 CHADMN CCOC(=O)c1oc2ccccc2c1CN1CC=C(C)CC1 ZINC000535210296 328394855 /nfs/dbraw/zinc/39/48/55/328394855.db2.gz GDOWDOAQJKLLTN-UHFFFAOYSA-N 0 1 299.370 3.762 20 0 CHADMN CC(C)c1nnc(CNC2CCC(C(C)C)CC2)s1 ZINC000532074141 328446501 /nfs/dbraw/zinc/44/65/01/328446501.db2.gz OHKYLHKDQMIUBW-UHFFFAOYSA-N 0 1 281.469 3.966 20 0 CHADMN CCSc1cccc(CNCc2ccc3c(n2)CCC3)c1 ZINC000563793927 328517438 /nfs/dbraw/zinc/51/74/38/328517438.db2.gz SVSARNKJJUKAHM-UHFFFAOYSA-N 0 1 298.455 3.972 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccn1)c1ccc(-n2cccn2)cc1 ZINC000152372320 328522390 /nfs/dbraw/zinc/52/23/90/328522390.db2.gz ZENXKQRBBOMXFC-CABCVRRESA-N 0 1 292.386 3.679 20 0 CHADMN CC(C)=CCC[C@H](C)NCc1nn(C)c(C)c1Cl ZINC000421390079 329819884 /nfs/dbraw/zinc/81/98/84/329819884.db2.gz ZHZYAFDVRDRZFS-NSHDSACASA-N 0 1 269.820 3.606 20 0 CHADMN C[C@@H]1C[C@@H](C)N1CCCc1c(F)cccc1Cl ZINC000527238694 330240439 /nfs/dbraw/zinc/24/04/39/330240439.db2.gz PBXRVVAFGQLVJM-GHMZBOCLSA-N 0 1 255.764 3.894 20 0 CHADMN CCCC[C@@H](C)N(CCCC)Cc1cnns1 ZINC000451075823 331015155 /nfs/dbraw/zinc/01/51/55/331015155.db2.gz YNBQSKWNKXHISU-GFCCVEGCSA-N 0 1 255.431 3.719 20 0 CHADMN Oc1ccc(Cl)cc1-c1nc(Cc2ccccc2)no1 ZINC000109037023 326822338 /nfs/dbraw/zinc/82/23/38/326822338.db2.gz MHXXPABOWRZWDQ-UHFFFAOYSA-N 0 1 286.718 3.686 20 0 CHADMN C[C@H](NCc1ccc(Br)cc1)c1ccoc1 ZINC000087289556 326879295 /nfs/dbraw/zinc/87/92/95/326879295.db2.gz FFSVKQUDAVJWOZ-JTQLQIEISA-N 0 1 280.165 3.893 20 0 CHADMN CC(C)(C)[C@H]1CN(c2ccnc3cc(F)ccc32)CCO1 ZINC000447816831 326880760 /nfs/dbraw/zinc/88/07/60/326880760.db2.gz LHQSMSWYBAEQPV-MRXNPFEDSA-N 0 1 288.366 3.625 20 0 CHADMN COC[C@@H](NCc1ccc(C)c(F)c1)c1ccc(F)cc1 ZINC000530729699 326888127 /nfs/dbraw/zinc/88/81/27/326888127.db2.gz RWRYDAIRRKINDL-QGZVFWFLSA-N 0 1 291.341 3.751 20 0 CHADMN COC[C@@H](NCc1ccc(C)c(C)c1)c1ccc(F)cc1 ZINC000530729343 326888137 /nfs/dbraw/zinc/88/81/37/326888137.db2.gz SMAXJKHLWFRCJY-GOSISDBHSA-N 0 1 287.378 3.920 20 0 CHADMN Cc1cccn2c(CNC3(c4ccc(F)cc4)CC3)cnc12 ZINC000530729608 326888290 /nfs/dbraw/zinc/88/82/90/326888290.db2.gz SIGFOGWDNJHKJI-UHFFFAOYSA-N 0 1 295.361 3.561 20 0 CHADMN C[C@@H]1CCC[C@H](CN[C@@H](c2ncc[nH]2)c2cccnc2)[C@H]1C ZINC000564814282 326959553 /nfs/dbraw/zinc/95/95/53/326959553.db2.gz WVMFRGANYUZOFX-JYYAWHABSA-N 0 1 298.434 3.556 20 0 CHADMN CC(C)[C@H](N[C@H]1CC[C@@H]1C(C)C)c1nc(C2CC2)no1 ZINC000556859305 326973691 /nfs/dbraw/zinc/97/36/91/326973691.db2.gz SNHGHWMBSYBTJA-RDBSUJKOSA-N 0 1 277.412 3.668 20 0 CHADMN Cc1nc(C)c(CNCc2sccc2Cl)s1 ZINC000278318997 326995493 /nfs/dbraw/zinc/99/54/93/326995493.db2.gz DRSWBGZCVNNONZ-UHFFFAOYSA-N 0 1 272.826 3.765 20 0 CHADMN CC[C@@H]1CCC[C@H](C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)C1 ZINC000263306009 327013427 /nfs/dbraw/zinc/01/34/27/327013427.db2.gz FEEXTJWXKGNHNY-ALYAQQCSSA-N 0 1 293.451 3.921 20 0 CHADMN Cc1cccc(C)c1CN[C@H](c1ccccc1F)[C@@H](C)O ZINC000565839159 327033608 /nfs/dbraw/zinc/03/36/08/327033608.db2.gz XNTYXQJBVDUNJU-KDOFPFPSSA-N 0 1 287.378 3.654 20 0 CHADMN CCc1ccc(/C=C\c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000584112688 327040219 /nfs/dbraw/zinc/04/02/19/327040219.db2.gz CLFCMTUNLSCZSM-KVPUOBJLSA-N 0 1 285.391 3.848 20 0 CHADMN CC(C)C1CCC(C[N@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)CC1 ZINC000263491370 327046943 /nfs/dbraw/zinc/04/69/43/327046943.db2.gz IQIHPVYUENEJNO-SLTXQBBLSA-N 0 1 281.440 3.634 20 0 CHADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000263518453 327074270 /nfs/dbraw/zinc/07/42/70/327074270.db2.gz PUTQYWRCYSHYAL-ZFWWWQNUSA-N 0 1 289.419 3.669 20 0 CHADMN COc1cncc(CN(C)C/C(C)=C/c2ccccc2)c1 ZINC000558164339 327076420 /nfs/dbraw/zinc/07/64/20/327076420.db2.gz BOXRPUAEYLVISK-OQLLNIDSSA-N 0 1 282.387 3.626 20 0 CHADMN CC[C@@H]1CC[C@H]1N[C@@H](c1ccccn1)c1ccccc1OC ZINC000558253137 327082383 /nfs/dbraw/zinc/08/23/83/327082383.db2.gz WDYIHOGQNATONK-IDHHARJASA-N 0 1 296.414 3.958 20 0 CHADMN COc1ccc(Cl)cc1[C@H](C)N[C@H]1C[C@@H]1C(F)F ZINC000558257498 327083407 /nfs/dbraw/zinc/08/34/07/327083407.db2.gz QDUBVOJJYUWXCR-SWPVVBRQSA-N 0 1 275.726 3.653 20 0 CHADMN CCO[C@@H]1C[C@@H](Nc2ccc3c(c2)nc(C)n3C)C12CCC2 ZINC000558291035 327085697 /nfs/dbraw/zinc/08/56/97/327085697.db2.gz DMYKIEAANFICBA-IAGOWNOFSA-N 0 1 299.418 3.641 20 0 CHADMN Cc1cccc(C[N@H+](Cc2ncccc2[O-])CC(C)C)c1 ZINC000558396442 327090290 /nfs/dbraw/zinc/09/02/90/327090290.db2.gz BBKXITOVRSVFFU-UHFFFAOYSA-N 0 1 284.403 3.754 20 0 CHADMN Cc1cccc(C[N@@H+](Cc2ncccc2[O-])CC(C)C)c1 ZINC000558396442 327090292 /nfs/dbraw/zinc/09/02/92/327090292.db2.gz BBKXITOVRSVFFU-UHFFFAOYSA-N 0 1 284.403 3.754 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccc(OC)cc2)o1 ZINC000090339759 327094314 /nfs/dbraw/zinc/09/43/14/327094314.db2.gz KYUIYBKSNDOWIG-LBPRGKRZSA-N 0 1 259.349 3.701 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1scnc1C1CC1)CC2 ZINC000558970645 327135763 /nfs/dbraw/zinc/13/57/63/327135763.db2.gz RRSXISGEYKPSNW-AWEZNQCLSA-N 0 1 288.391 3.937 20 0 CHADMN CC1(C)CN(Cc2cnc(-c3ccccn3)s2)[C@@H]1C1CC1 ZINC000517790306 327139782 /nfs/dbraw/zinc/13/97/82/327139782.db2.gz RGWPRCJFIJSWOS-OAHLLOKOSA-N 0 1 299.443 3.826 20 0 CHADMN CC1(C)CN(Cc2cnc(-c3ccccn3)s2)[C@H]1C1CC1 ZINC000517790305 327139797 /nfs/dbraw/zinc/13/97/97/327139797.db2.gz RGWPRCJFIJSWOS-HNNXBMFYSA-N 0 1 299.443 3.826 20 0 CHADMN Cn1nc(C2CC2)nc1CN(CC(C)(C)C)CC(C)(C)C ZINC000566170135 327154671 /nfs/dbraw/zinc/15/46/71/327154671.db2.gz LALCTLXJBFNAMV-UHFFFAOYSA-N 0 1 292.471 3.587 20 0 CHADMN C[C@@H](NCCCC1CC1)c1ncc(Br)s1 ZINC000129735266 327156944 /nfs/dbraw/zinc/15/69/44/327156944.db2.gz XZUOGPAPMMSGMV-MRVPVSSYSA-N 0 1 289.242 3.746 20 0 CHADMN C[C@H](c1ncc(-c2ccccc2)o1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000569358293 327162755 /nfs/dbraw/zinc/16/27/55/327162755.db2.gz SUKRBBSPWANTMB-BMFZPTHFSA-N 0 1 298.386 3.513 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000569371224 327168535 /nfs/dbraw/zinc/16/85/35/327168535.db2.gz WXMLCMWGASOLNQ-OAHLLOKOSA-N 0 1 293.382 3.925 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1nccs1)c1cccc(Cl)c1 ZINC000090173044 327177571 /nfs/dbraw/zinc/17/75/71/327177571.db2.gz GJNYTFLBMVYCPK-GWCFXTLKSA-N 0 1 296.823 3.835 20 0 CHADMN C[C@@H](NCc1ccn(C)c1)c1ccccc1Br ZINC000091007559 327182700 /nfs/dbraw/zinc/18/27/00/327182700.db2.gz CVCKBHLVAUMTHF-LLVKDONJSA-N 0 1 293.208 3.638 20 0 CHADMN CCCCN(Cc1cc[nH]n1)[C@H](C)c1ccccc1 ZINC000092263509 327190382 /nfs/dbraw/zinc/19/03/82/327190382.db2.gz NIBUNMDWKJUDIX-CQSZACIVSA-N 0 1 257.381 3.773 20 0 CHADMN CC(C)C[C@@H](C)C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000410407403 327192108 /nfs/dbraw/zinc/19/21/08/327192108.db2.gz KQJWQYVRMSOGQJ-HIFRSBDPSA-N 0 1 267.438 3.804 20 0 CHADMN CC(C)C[C@@H](C)CN1CCO[C@H](c2ccsc2)C1 ZINC000410407403 327192110 /nfs/dbraw/zinc/19/21/10/327192110.db2.gz KQJWQYVRMSOGQJ-HIFRSBDPSA-N 0 1 267.438 3.804 20 0 CHADMN F[C@H]1CCC[C@H]1NCc1ccccc1OCC(F)(F)F ZINC000559359913 327195170 /nfs/dbraw/zinc/19/51/70/327195170.db2.gz VPDSAPXJPAISPE-NWDGAFQWSA-N 0 1 291.288 3.608 20 0 CHADMN CC(C)C[C@H]1CCCN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000559363927 327195766 /nfs/dbraw/zinc/19/57/66/327195766.db2.gz DRPZRIBFPRRGIN-OAHLLOKOSA-N 0 1 297.402 3.727 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1nc(-c2ccccc2)c[nH]1 ZINC000569542994 327195784 /nfs/dbraw/zinc/19/57/84/327195784.db2.gz CDTJLBFKTQUZOD-SNVBAGLBSA-N 0 1 283.297 3.507 20 0 CHADMN COc1cc(F)cc(CN[C@H](C)c2cc(C)oc2C)c1 ZINC000278858194 327198570 /nfs/dbraw/zinc/19/85/70/327198570.db2.gz WDNDNBWBEKSNOS-LLVKDONJSA-N 0 1 277.339 3.895 20 0 CHADMN CCCCNc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000531011932 327215341 /nfs/dbraw/zinc/21/53/41/327215341.db2.gz JZHBBDMSHYVKFG-GJZGRUSLSA-N 0 1 276.424 3.508 20 0 CHADMN CCCCNc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000531011933 327215351 /nfs/dbraw/zinc/21/53/51/327215351.db2.gz JZHBBDMSHYVKFG-HUUCEWRRSA-N 0 1 276.424 3.508 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cccc(C3CC3)c2)n1 ZINC000584299815 327229855 /nfs/dbraw/zinc/22/98/55/327229855.db2.gz WGTMGQNOMGNCLN-AWEZNQCLSA-N 0 1 271.364 3.660 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2cc(Cl)ccc2Cl)C[C@@H]1O ZINC000536369508 327232952 /nfs/dbraw/zinc/23/29/52/327232952.db2.gz RUSWCWVRLZNJSU-RBZYPMLTSA-N 0 1 288.218 3.757 20 0 CHADMN Cn1cccc1[C@H]1CCCCN1Cc1cccc(F)c1 ZINC000531104575 327248286 /nfs/dbraw/zinc/24/82/86/327248286.db2.gz DWBPVRDAWMXHRM-QGZVFWFLSA-N 0 1 272.367 3.891 20 0 CHADMN Cn1cccc1[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC000531104558 327248298 /nfs/dbraw/zinc/24/82/98/327248298.db2.gz DWBPVRDAWMXHRM-KRWDZBQOSA-N 0 1 272.367 3.891 20 0 CHADMN c1nc2ccc(CNc3ccccc3N3CCCC3)cc2[nH]1 ZINC000536528043 327265583 /nfs/dbraw/zinc/26/55/83/327265583.db2.gz OLYZRISXGDWPTP-UHFFFAOYSA-N 0 1 292.386 3.775 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnn(CC)c1)c1ccccc1OC ZINC000044496988 327267533 /nfs/dbraw/zinc/26/75/33/327267533.db2.gz DTMXPOFUOFDMMC-CZUORRHYSA-N 0 1 287.407 3.714 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1cn2ccccc2n1 ZINC000559918817 327271059 /nfs/dbraw/zinc/27/10/59/327271059.db2.gz ITDLQGMPMHVRFA-MLGOLLRUSA-N 0 1 295.361 3.812 20 0 CHADMN CC(C)=CCSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000559982484 327274724 /nfs/dbraw/zinc/27/47/24/327274724.db2.gz QGAHEBZSLVDYCN-SREVYHEPSA-N 0 1 275.377 3.935 20 0 CHADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CCCC(C)(C)CC1 ZINC000573974716 327277630 /nfs/dbraw/zinc/27/76/30/327277630.db2.gz ALQPXDKSAZGYAB-OAHLLOKOSA-N 0 1 275.392 3.633 20 0 CHADMN CCc1ccc(-c2ccc(CN3CC[C@@H]3COC)o2)cc1 ZINC000560068576 327282182 /nfs/dbraw/zinc/28/21/82/327282182.db2.gz PBKOBLAVCINTHF-MRXNPFEDSA-N 0 1 285.387 3.730 20 0 CHADMN O=C(CCC1CC1)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000115043936 327298665 /nfs/dbraw/zinc/29/86/65/327298665.db2.gz WFYWKHFFVDBPEV-OAHLLOKOSA-N 0 1 299.374 3.543 20 0 CHADMN c1coc([C@H](NC[C@@H]2CCCCO2)c2ccccc2)c1 ZINC000049899900 327298878 /nfs/dbraw/zinc/29/88/78/327298878.db2.gz KWZVLVLIVYGENW-DOTOQJQBSA-N 0 1 271.360 3.528 20 0 CHADMN CC(C)N(Cc1ccccn1)CC1=Cc2ccccc2OC1 ZINC000560467551 327311663 /nfs/dbraw/zinc/31/16/63/327311663.db2.gz NCPXTSCXDNOUPQ-UHFFFAOYSA-N 0 1 294.398 3.768 20 0 CHADMN c1ccc([C@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000560543808 327321547 /nfs/dbraw/zinc/32/15/47/327321547.db2.gz GWPRWBGIAZNKIQ-INIZCTEOSA-N 0 1 291.398 3.943 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000560590291 327328904 /nfs/dbraw/zinc/32/89/04/327328904.db2.gz CRDJWVMDWJZMFX-CYBMUJFWSA-N 0 1 295.386 3.731 20 0 CHADMN Fc1cc(F)c(CN2CC[C@@H](CC3CC3)C2)cc1F ZINC000560619509 327331071 /nfs/dbraw/zinc/33/10/71/327331071.db2.gz YFYHDOOEQLLBEV-NSHDSACASA-N 0 1 269.310 3.726 20 0 CHADMN Cc1cc([C@@H](C)[N@H+]2CC[C@H](CC(C)C)C2)oc1C(=O)[O-] ZINC000566358613 327335323 /nfs/dbraw/zinc/33/53/23/327335323.db2.gz LAOZLUVTZCRNLQ-CHWSQXEVSA-N 0 1 279.380 3.715 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2C2CCCCC2)s1 ZINC000583386309 327337030 /nfs/dbraw/zinc/33/70/30/327337030.db2.gz QOQPVTKAEPBHDV-AWEZNQCLSA-N 0 1 293.432 3.991 20 0 CHADMN C[C@H](Cc1cnccn1)NCc1c(Cl)cccc1Cl ZINC000561134455 327368475 /nfs/dbraw/zinc/36/84/75/327368475.db2.gz JPTRNFMFRHZJIT-SNVBAGLBSA-N 0 1 296.201 3.504 20 0 CHADMN CC[N@@H+](Cc1cccc(Cl)c1)[C@H](CC(C)C)C(=O)[O-] ZINC000583446244 327371072 /nfs/dbraw/zinc/37/10/72/327371072.db2.gz VNTBQSHIBWWOGX-CQSZACIVSA-N 0 1 283.799 3.661 20 0 CHADMN C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000569623317 327383968 /nfs/dbraw/zinc/38/39/68/327383968.db2.gz OPMWERMHRJVVMY-NWDGAFQWSA-N 0 1 279.355 3.534 20 0 CHADMN CCC[C@H](C)CNC1(c2noc(C)n2)CCCCC1 ZINC000561455430 327395987 /nfs/dbraw/zinc/39/59/87/327395987.db2.gz NAZMMSCGEXVVEY-LBPRGKRZSA-N 0 1 265.401 3.563 20 0 CHADMN COc1cccc(CN2CC[C@](F)(c3ccccc3)C2)c1 ZINC000561487393 327399110 /nfs/dbraw/zinc/39/91/10/327399110.db2.gz QQTCPVGJSCQCOJ-GOSISDBHSA-N 0 1 285.362 3.766 20 0 CHADMN COc1cccc(CN2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000561487397 327399193 /nfs/dbraw/zinc/39/91/93/327399193.db2.gz QQTCPVGJSCQCOJ-SFHVURJKSA-N 0 1 285.362 3.766 20 0 CHADMN Cc1ccc2nc(NC(=O)C3=CCCCCC3)[nH]c2c1 ZINC000561500987 327399365 /nfs/dbraw/zinc/39/93/65/327399365.db2.gz FKUKNHLTRVXMKQ-UHFFFAOYSA-N 0 1 269.348 3.700 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1cc(F)cc(OC)c1 ZINC000507489820 332809723 /nfs/dbraw/zinc/80/97/23/332809723.db2.gz YHUSBTQYQZRLOC-LBPRGKRZSA-N 0 1 288.366 3.643 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@H]1CCc2c1cccc2O ZINC000507508170 332810742 /nfs/dbraw/zinc/81/07/42/332810742.db2.gz ISRZYCOQTZOMGY-LRDDRELGSA-N 0 1 282.387 3.688 20 0 CHADMN COc1cccc(NC2CCN(C/C=C(/C)Cl)CC2)c1 ZINC000528392575 328666222 /nfs/dbraw/zinc/66/62/22/328666222.db2.gz FEWRJNMYOWSRAQ-MLPAPPSSSA-N 0 1 294.826 3.714 20 0 CHADMN Cc1ccccc1[C@@H](CO)N[C@@H](C)c1cc(F)cc(F)c1 ZINC000532550971 328790574 /nfs/dbraw/zinc/79/05/74/328790574.db2.gz HFKFHIXFSDXDNU-YVEFUNNKSA-N 0 1 291.341 3.657 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000007811863 328967744 /nfs/dbraw/zinc/96/77/44/328967744.db2.gz ZFJPWWMSQBZYSB-VXGBXAGGSA-N 0 1 294.826 3.565 20 0 CHADMN CCCCc1nc(CN[C@]2(C)CCO[C@@H]2C2CC2)cs1 ZINC000374632688 328995906 /nfs/dbraw/zinc/99/59/06/328995906.db2.gz SHZZJXGITBIDMG-HZPDHXFCSA-N 0 1 294.464 3.533 20 0 CHADMN c1coc(-c2nc(CN3CCC[C@@H]3C3CC3)cs2)c1 ZINC000377533307 329017727 /nfs/dbraw/zinc/01/77/27/329017727.db2.gz HSULMADKMAFXMZ-CYBMUJFWSA-N 0 1 274.389 3.778 20 0 CHADMN COc1cccc2c1OCC[C@@H]2N[C@H](C)c1ccsc1 ZINC000378405331 329049170 /nfs/dbraw/zinc/04/91/70/329049170.db2.gz RAMSQISKWTVSBS-RISCZKNCSA-N 0 1 289.400 3.931 20 0 CHADMN Cc1ccc(C2CCN(Cc3cnn(C(C)C)c3)CC2)cn1 ZINC000378640016 329057605 /nfs/dbraw/zinc/05/76/05/329057605.db2.gz VXRLEKIBHYMJDW-UHFFFAOYSA-N 0 1 298.434 3.547 20 0 CHADMN c1cc(CSCc2n[nH]c(C3CC3)n2)cc2c1CCC2 ZINC000193658871 329060551 /nfs/dbraw/zinc/06/05/51/329060551.db2.gz SXHLSYCGLGCIHB-UHFFFAOYSA-N 0 1 285.416 3.604 20 0 CHADMN Fc1ccc2c(c1)[C@@H](SCc1n[nH]c(C3CC3)n1)CC2 ZINC000193676778 329060807 /nfs/dbraw/zinc/06/08/07/329060807.db2.gz GLVBATUPYNZKKB-ZDUSSCGKSA-N 0 1 289.379 3.742 20 0 CHADMN C=Cn1cc(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)cn1 ZINC000193965252 329064198 /nfs/dbraw/zinc/06/41/98/329064198.db2.gz CURYTMCHKQWCCO-GOSISDBHSA-N 0 1 281.403 3.537 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC000583698833 329069593 /nfs/dbraw/zinc/06/95/93/329069593.db2.gz QMRBCCXLWQJBPJ-CQSZACIVSA-N 0 1 283.371 3.620 20 0 CHADMN CCc1ccc(CNCc2nc(-c3ccccc3)c[nH]2)s1 ZINC000194239407 329073785 /nfs/dbraw/zinc/07/37/85/329073785.db2.gz KPWIKNYQXPAEGY-UHFFFAOYSA-N 0 1 297.427 3.990 20 0 CHADMN c1coc(CN(CCc2cccnc2)Cc2cccs2)c1 ZINC000172152966 329081630 /nfs/dbraw/zinc/08/16/30/329081630.db2.gz AWLGCLFMBWSNIN-UHFFFAOYSA-N 0 1 298.411 3.981 20 0 CHADMN CC1(C)CCC[C@H](C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])C1 ZINC000582533913 329108261 /nfs/dbraw/zinc/10/82/61/329108261.db2.gz IALFFNUNVKPYED-JONQDZQNSA-N 0 1 293.451 3.921 20 0 CHADMN Cc1nocc1CSc1nc2ccc(Cl)cc2[nH]1 ZINC000582763547 329151390 /nfs/dbraw/zinc/15/13/90/329151390.db2.gz FBHADADCNSMDPE-UHFFFAOYSA-N 0 1 279.752 3.805 20 0 CHADMN Cc1ccc(S(=O)(=O)Nc2ccsc2)c(Cl)c1 ZINC000174252277 329155787 /nfs/dbraw/zinc/15/57/87/329155787.db2.gz WSVCZLZCCXQKSG-UHFFFAOYSA-N 0 1 287.793 3.511 20 0 CHADMN CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCC[C@@H]1C ZINC000174406879 329158683 /nfs/dbraw/zinc/15/86/83/329158683.db2.gz BXBHVHYJYYESEY-KBPBESRZSA-N 0 1 288.435 3.623 20 0 CHADMN CO[C@@H](C)c1nc(CN(C)C2CCC(C)CC2)cs1 ZINC000175049955 329162398 /nfs/dbraw/zinc/16/23/98/329162398.db2.gz HSWRMQSCVVCYOO-LXVYMNJGSA-N 0 1 282.453 3.861 20 0 CHADMN CO[C@H](C)c1nc(CN(C)[C@@H]2CCC[C@H](C)C2)cs1 ZINC000175095783 329162911 /nfs/dbraw/zinc/16/29/11/329162911.db2.gz SIANJEIVHQHXMK-OUCADQQQSA-N 0 1 282.453 3.861 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1nc2cc(F)ccc2o1 ZINC000177101387 329180817 /nfs/dbraw/zinc/18/08/17/329180817.db2.gz LXXRHBPSDCMMEC-WDEREUQCSA-N 0 1 262.328 3.587 20 0 CHADMN CN(Cc1cncn1C)C1c2ccccc2-c2ccccc21 ZINC000177208768 329181901 /nfs/dbraw/zinc/18/19/01/329181901.db2.gz HYGAOMQRJGEWIO-UHFFFAOYSA-N 0 1 289.382 3.622 20 0 CHADMN C[C@@H](N(C)Cc1nc2cc(Cl)ccc2n1C)C1(C)CC1 ZINC000177230385 329182200 /nfs/dbraw/zinc/18/22/00/329182200.db2.gz ASLIYTDRTJMBTP-LLVKDONJSA-N 0 1 291.826 3.847 20 0 CHADMN CCO[C@@H]1C[C@@H](N(C)Cc2nc(C)c(C)s2)C12CCC2 ZINC000177673124 329189015 /nfs/dbraw/zinc/18/90/15/329189015.db2.gz BADCGLRWVYCOKW-ZIAGYGMSSA-N 0 1 294.464 3.539 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1CC[C@@H](C)[C@@H]1C ZINC000177882960 329193645 /nfs/dbraw/zinc/19/36/45/329193645.db2.gz WXSBYSBHWJESHR-MNOVXSKESA-N 0 1 276.405 3.942 20 0 CHADMN COc1ccc(C[N@@H+](C(C)C)C2CC2)c(Cl)c1OC ZINC000179485599 329209173 /nfs/dbraw/zinc/20/91/73/329209173.db2.gz JPNKNTUPOAWNBY-UHFFFAOYSA-N 0 1 283.799 3.730 20 0 CHADMN COc1ccc(CN(C(C)C)C2CC2)c(Cl)c1OC ZINC000179485599 329209175 /nfs/dbraw/zinc/20/91/75/329209175.db2.gz JPNKNTUPOAWNBY-UHFFFAOYSA-N 0 1 283.799 3.730 20 0 CHADMN Cc1ccc(C)c(CSCc2n[nH]c(C3CC3)n2)c1 ZINC000179653116 329211103 /nfs/dbraw/zinc/21/11/03/329211103.db2.gz MLGPXYATODNZGM-UHFFFAOYSA-N 0 1 273.405 3.732 20 0 CHADMN C[C@H](N[C@@H]1CCCOc2cc(F)ccc21)c1ccoc1 ZINC000179961958 329214027 /nfs/dbraw/zinc/21/40/27/329214027.db2.gz MIHKTIXMNRTIDH-XHDPSFHLSA-N 0 1 275.323 3.983 20 0 CHADMN C[C@H]1CCN(Cc2cnn3ccccc23)[C@H](c2ccco2)C1 ZINC000180077602 329215124 /nfs/dbraw/zinc/21/51/24/329215124.db2.gz QVCRYAARWRQCSE-YOEHRIQHSA-N 0 1 295.386 3.901 20 0 CHADMN C[C@H](NCc1cn(C)nc1-c1ccccc1)c1ccco1 ZINC000180421010 329216335 /nfs/dbraw/zinc/21/63/35/329216335.db2.gz AIRNOJMYNUTRDO-ZDUSSCGKSA-N 0 1 281.359 3.531 20 0 CHADMN Clc1ccc2nc(SCCCn3ccnc3)[nH]c2c1 ZINC000180426816 329216737 /nfs/dbraw/zinc/21/67/37/329216737.db2.gz WICASEXIDMLVPF-UHFFFAOYSA-N 0 1 292.795 3.595 20 0 CHADMN Cc1ccc2nc(CNC(=O)C3C[C@@H](C)C[C@H](C)C3)[nH]c2c1 ZINC000180335279 329219993 /nfs/dbraw/zinc/21/99/93/329219993.db2.gz CMYOZTHMQXKLJP-STQMWFEESA-N 0 1 299.418 3.560 20 0 CHADMN CC[C@@H]1CCCCCN1Cc1nnc(C2CC2)n1C1CC1 ZINC000181369009 329232233 /nfs/dbraw/zinc/23/22/33/329232233.db2.gz LOBURUPUDJRSMD-CQSZACIVSA-N 0 1 288.439 3.645 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1cccnc1 ZINC000182034497 329238883 /nfs/dbraw/zinc/23/88/83/329238883.db2.gz YKSGUAQGUXYYNW-RVDMUPIBSA-N 0 1 252.361 3.617 20 0 CHADMN Cc1cnc(CN2CC[C@@H](c3cc(C)cc(C)c3)C2)o1 ZINC000183486298 329247768 /nfs/dbraw/zinc/24/77/68/329247768.db2.gz VGYPADPKADHDLR-OAHLLOKOSA-N 0 1 270.376 3.589 20 0 CHADMN COc1ccc(CNCc2ccccc2F)cc1Cl ZINC000086583605 332848748 /nfs/dbraw/zinc/84/87/48/332848748.db2.gz LRACCMZSWOAUBP-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN C[C@H](N[C@@H]1COCc2ccccc21)c1ccsc1 ZINC000225998597 329256473 /nfs/dbraw/zinc/25/64/73/329256473.db2.gz GTKCGVXUHVHFOS-XHDPSFHLSA-N 0 1 259.374 3.670 20 0 CHADMN CC(C)C[C@@H]1OCCC[C@H]1NCc1csc(C2CC2)n1 ZINC000185193617 329267228 /nfs/dbraw/zinc/26/72/28/329267228.db2.gz SOPCAOOUUSYGBP-CABCVRRESA-N 0 1 294.464 3.704 20 0 CHADMN C[C@@H](c1ccsc1)N1CCN([C@H]2C=CCCC2)CC1 ZINC000185447509 329273718 /nfs/dbraw/zinc/27/37/18/329273718.db2.gz DMVJCKKWFYBHOA-HOCLYGCPSA-N 0 1 276.449 3.535 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H]2C[C@H]2c2ccc(F)cc2)n1 ZINC000582964906 329292813 /nfs/dbraw/zinc/29/28/13/329292813.db2.gz XFCNIIJLNUIRQF-BFHYXJOUSA-N 0 1 289.354 3.526 20 0 CHADMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccsc2)cc1 ZINC000583030481 329304749 /nfs/dbraw/zinc/30/47/49/329304749.db2.gz OFPINQHONFFBRD-UHFFFAOYSA-N 0 1 289.400 3.710 20 0 CHADMN FC[C@H]1CCCN1CCOc1ccccc1C(F)(F)F ZINC000583039002 329306388 /nfs/dbraw/zinc/30/63/88/329306388.db2.gz RINJEPFLHGDOPI-LLVKDONJSA-N 0 1 291.288 3.518 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2CCCCCC(=O)[O-])cc1 ZINC000583147327 329322585 /nfs/dbraw/zinc/32/25/85/329322585.db2.gz MAFZDUHSPVZGIY-INIZCTEOSA-N 0 1 275.392 3.777 20 0 CHADMN CCO[C@H](C)c1nc(CN2CC[C@H](C)[C@@H]2CC)cs1 ZINC000185663391 329328567 /nfs/dbraw/zinc/32/85/67/329328567.db2.gz LPGPVSKCEWIPIH-SCRDCRAPSA-N 0 1 282.453 3.861 20 0 CHADMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1csc(C2CC2)n1 ZINC000185656070 329328641 /nfs/dbraw/zinc/32/86/41/329328641.db2.gz GRCNZSRVUQRUOB-GXFFZTMASA-N 0 1 250.411 3.641 20 0 CHADMN CC[C@@H]1[C@@H](C)CCN1Cc1csc(C2CC2)n1 ZINC000185656070 329328642 /nfs/dbraw/zinc/32/86/42/329328642.db2.gz GRCNZSRVUQRUOB-GXFFZTMASA-N 0 1 250.411 3.641 20 0 CHADMN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(O)cc(F)c2)C1 ZINC000186262697 329341064 /nfs/dbraw/zinc/34/10/64/329341064.db2.gz IJXLDZRIUABMJH-HIFRSBDPSA-N 0 1 283.412 3.637 20 0 CHADMN Cc1ccc(CN2CCC(Oc3ccccc3)CC2)c(C)n1 ZINC000186760791 329348506 /nfs/dbraw/zinc/34/85/06/329348506.db2.gz CVVSUWOSLOIAIU-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1ccc(C)nc1C ZINC000187367592 329355896 /nfs/dbraw/zinc/35/58/96/329355896.db2.gz UIKSPQIHCHTWKZ-KRWDZBQOSA-N 0 1 269.392 3.677 20 0 CHADMN Cc1ccc(CN[C@@H](c2ncccc2C)C(C)C)c(C)n1 ZINC000187259070 329356131 /nfs/dbraw/zinc/35/61/31/329356131.db2.gz FOQDFWFFUGIWAF-QGZVFWFLSA-N 0 1 283.419 3.889 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)NCc1ccc(C)nc1C ZINC000187418411 329357829 /nfs/dbraw/zinc/35/78/29/329357829.db2.gz UATVLGKJCZLPGQ-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN C[C@H]1CCCCN(Cc2nccn2Cc2ccccc2)C1 ZINC000187932683 329361651 /nfs/dbraw/zinc/36/16/51/329361651.db2.gz LIGPXQZUYSMSMZ-INIZCTEOSA-N 0 1 283.419 3.553 20 0 CHADMN CCCOc1ccc(CNCc2c(C)noc2C)c(C)c1 ZINC000188792344 329372201 /nfs/dbraw/zinc/37/22/01/329372201.db2.gz AUAOFABWSBWXHL-UHFFFAOYSA-N 0 1 288.391 3.678 20 0 CHADMN C[C@@H](NCc1cncc(F)c1)c1ccc(Cl)s1 ZINC000230938544 329372637 /nfs/dbraw/zinc/37/26/37/329372637.db2.gz QXVFRYAIGDFZPO-MRVPVSSYSA-N 0 1 270.760 3.786 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2CCC[C@@H](C)CC2)c(C)c1 ZINC000063309006 329378303 /nfs/dbraw/zinc/37/83/03/329378303.db2.gz MZSKBAAJKYNZRZ-CYBMUJFWSA-N 0 1 288.435 3.672 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cc2sccc2[nH]1 ZINC000189355483 329379973 /nfs/dbraw/zinc/37/99/73/329379973.db2.gz KOGXAJQMXBQDHE-UHFFFAOYSA-N 0 1 292.747 3.841 20 0 CHADMN CC[C@@]1(C)CN(Cc2ccc(C(F)F)cc2)CCO1 ZINC000190066643 329392313 /nfs/dbraw/zinc/39/23/13/329392313.db2.gz ZZHZRSCPSUTEOG-HNNXBMFYSA-N 0 1 269.335 3.625 20 0 CHADMN CC(C)[C@@H](C)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000191577666 329417749 /nfs/dbraw/zinc/41/77/49/329417749.db2.gz PWBIAYQFCXQLMC-VXGBXAGGSA-N 0 1 265.401 3.812 20 0 CHADMN CCOc1ccccc1[C@H](CC)N[C@@H](C)c1cncnc1C ZINC000583762908 329475506 /nfs/dbraw/zinc/47/55/06/329475506.db2.gz JPQIZTMZBHFTTP-YOEHRIQHSA-N 0 1 299.418 3.986 20 0 CHADMN CCOc1ccccc1[C@@H](CC)N[C@H](C)c1cncnc1C ZINC000583762906 329475631 /nfs/dbraw/zinc/47/56/31/329475631.db2.gz JPQIZTMZBHFTTP-RHSMWYFYSA-N 0 1 299.418 3.986 20 0 CHADMN Fc1cc(Br)cc(CN2C[C@@H]3CCC[C@H]3C2)c1 ZINC000148088242 329533036 /nfs/dbraw/zinc/53/30/36/329533036.db2.gz HOZSYSPGLQUDIU-RYUDHWBXSA-N 0 1 298.199 3.820 20 0 CHADMN Cc1cnc([C@H](C)Nc2ccnc3cc(F)ccc32)o1 ZINC000428145250 329557527 /nfs/dbraw/zinc/55/75/27/329557527.db2.gz KDASOOMVQXGURO-JTQLQIEISA-N 0 1 271.295 3.843 20 0 CHADMN COC[C@H](NC1CC(c2ccccc2F)C1)c1ccco1 ZINC000127780772 329602179 /nfs/dbraw/zinc/60/21/79/329602179.db2.gz PQYBRNPFNNZUQF-ZUEPYMLJSA-N 0 1 289.350 3.642 20 0 CHADMN CC(C)c1ncc(CN[C@@H](C)c2cccnc2)s1 ZINC000130711878 329627395 /nfs/dbraw/zinc/62/73/95/329627395.db2.gz KLMBVFVXOADVGK-NSHDSACASA-N 0 1 261.394 3.512 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccccc1)CO2 ZINC000130728100 329627674 /nfs/dbraw/zinc/62/76/74/329627674.db2.gz JKFQZGZEPRZDRA-BBRMVZONSA-N 0 1 253.345 3.779 20 0 CHADMN CC(C)OCCNCc1cccc(Cl)c1Cl ZINC000134128332 329657125 /nfs/dbraw/zinc/65/71/25/329657125.db2.gz UJWFMWUHCRUHIF-UHFFFAOYSA-N 0 1 262.180 3.508 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccsc1)CCCO2 ZINC000193693317 329683076 /nfs/dbraw/zinc/68/30/76/329683076.db2.gz FNKXHIZHFDAMFP-CQSZACIVSA-N 0 1 277.364 3.891 20 0 CHADMN CC[C@@H](NC[C@H](CC)OC)c1nc(C(F)(F)F)cs1 ZINC000419234451 329713686 /nfs/dbraw/zinc/71/36/86/329713686.db2.gz BUNOCMYPBXIZGM-DTWKUNHWSA-N 0 1 296.358 3.628 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CCC(OC2CCC2)CC1 ZINC000419306433 329715884 /nfs/dbraw/zinc/71/58/84/329715884.db2.gz SPSQTLOKBBHEQN-UHFFFAOYSA-N 0 1 292.423 3.640 20 0 CHADMN c1cc(NC[C@@H]2CCCOC2)cc2nc3n(c12)CCCCC3 ZINC000419746069 329744714 /nfs/dbraw/zinc/74/47/14/329744714.db2.gz VLYQNYLVRPSAON-AWEZNQCLSA-N 0 1 299.418 3.601 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)NCC[C@H](C)F)n2)cc1 ZINC000509592131 332874776 /nfs/dbraw/zinc/87/47/76/332874776.db2.gz MTMCQLXLRZPLGG-RYUDHWBXSA-N 0 1 291.370 3.698 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1nc(-c2ccsc2Cl)no1 ZINC000420503092 329771094 /nfs/dbraw/zinc/77/10/94/329771094.db2.gz MVPXEKUZRWPMSE-RKDXNWHRSA-N 0 1 297.811 3.824 20 0 CHADMN C[C@H](C[NH2+]Cc1c(F)ccc([O-])c1F)c1ccccc1 ZINC000509657206 332876801 /nfs/dbraw/zinc/87/68/01/332876801.db2.gz ZYULUBVMCBQWAE-LLVKDONJSA-N 0 1 277.314 3.564 20 0 CHADMN Cc1c(Cl)c(CNCC[C@@H](C)c2ccccc2)nn1C ZINC000421323189 329812200 /nfs/dbraw/zinc/81/22/00/329812200.db2.gz HVGURYMYXJSQCI-GFCCVEGCSA-N 0 1 291.826 3.665 20 0 CHADMN OC[C@@H](NC1CC2(C1)CCCCC2)c1c(F)cccc1F ZINC000421362551 329823077 /nfs/dbraw/zinc/82/30/77/329823077.db2.gz JJUACTOFKCEIKM-OAHLLOKOSA-N 0 1 295.373 3.701 20 0 CHADMN CCOc1ccc([C@H](C)NCc2ccco2)cc1OC ZINC000069674422 329854334 /nfs/dbraw/zinc/85/43/34/329854334.db2.gz HOSOMMAXCZPSFK-LBPRGKRZSA-N 0 1 275.348 3.538 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)[C@H]1CCCO1)c1cccc(O)c1 ZINC000249653422 329909018 /nfs/dbraw/zinc/90/90/18/329909018.db2.gz YVXUXJWGWLPXSD-GDIGMMSISA-N 0 1 297.398 3.963 20 0 CHADMN CCC[C@H](CC1CCCC1)c1nc(C2(N)CCC2)no1 ZINC000572157182 329950639 /nfs/dbraw/zinc/95/06/39/329950639.db2.gz HLVKTJHNJADFJA-CYBMUJFWSA-N 0 1 277.412 3.872 20 0 CHADMN CCn1cc([C@H](C)NC2(c3ccc(Cl)cc3)CC2)cn1 ZINC000572312455 329972245 /nfs/dbraw/zinc/97/22/45/329972245.db2.gz GYYSDUMDYUDTOS-LBPRGKRZSA-N 0 1 289.810 3.896 20 0 CHADMN CCC(C)(C)CC[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000262466610 330015128 /nfs/dbraw/zinc/01/51/28/330015128.db2.gz GIFPMEBGGROZQX-RDBSUJKOSA-N 0 1 267.413 3.530 20 0 CHADMN O=C([O-])[C@H]1CCCC[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC000262929500 330037080 /nfs/dbraw/zinc/03/70/80/330037080.db2.gz ABDAKTFVQWBVLL-GFCCVEGCSA-N 0 1 293.750 3.525 20 0 CHADMN O=C([O-])[C@H]1CCCC[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC000262929500 330037081 /nfs/dbraw/zinc/03/70/81/330037081.db2.gz ABDAKTFVQWBVLL-GFCCVEGCSA-N 0 1 293.750 3.525 20 0 CHADMN Cc1ccccc1CCC[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263065496 330041693 /nfs/dbraw/zinc/04/16/93/330041693.db2.gz GBYFYXRWNDYXHK-INIZCTEOSA-N 0 1 289.419 3.504 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263300016 330051932 /nfs/dbraw/zinc/05/19/32/330051932.db2.gz GKWREIHENNELAB-FMKPAKJESA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)C[C@]1(C)CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263401501 330054249 /nfs/dbraw/zinc/05/42/49/330054249.db2.gz IGZSAUVNJJOFHM-KRWDZBQOSA-N 0 1 275.392 3.785 20 0 CHADMN C[C@H](C1CCCCC1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000263412613 330054504 /nfs/dbraw/zinc/05/45/04/330054504.db2.gz LZYWAGHTHDSYDN-CYBMUJFWSA-N 0 1 275.392 3.785 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000263441092 330055881 /nfs/dbraw/zinc/05/58/81/330055881.db2.gz DMMDZHNUCIAEMX-GOSISDBHSA-N 0 1 285.387 3.707 20 0 CHADMN CC(C)C[C@H](C[N@H+]1CC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000263512264 330058320 /nfs/dbraw/zinc/05/83/20/330058320.db2.gz NSOSREAHESFUPB-AEFFLSMTSA-N 0 1 289.419 3.613 20 0 CHADMN CC(C)C[C@@H](C[N@H+]1CC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000263512276 330058392 /nfs/dbraw/zinc/05/83/92/330058392.db2.gz NSOSREAHESFUPB-WMZOPIPTSA-N 0 1 289.419 3.613 20 0 CHADMN CC(C)C[C@@H](C[N@@H+](CC(=O)[O-])C(C)C)c1ccccc1 ZINC000263509799 330058459 /nfs/dbraw/zinc/05/84/59/330058459.db2.gz NAZNKZNCRFGNMM-INIZCTEOSA-N 0 1 277.408 3.611 20 0 CHADMN O=C([O-])c1cccc(C[N@@H+](CC2CCCCC2)C2CC2)c1 ZINC000263513252 330058650 /nfs/dbraw/zinc/05/86/50/330058650.db2.gz ZNYNLCODFSJRHS-UHFFFAOYSA-N 0 1 287.403 3.930 20 0 CHADMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(C2CCCC2)cc1 ZINC000263530031 330059124 /nfs/dbraw/zinc/05/91/24/330059124.db2.gz VZJXDHPJKMPZJM-UHFFFAOYSA-N 0 1 275.392 3.639 20 0 CHADMN Cc1ccoc1CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000162542401 330066679 /nfs/dbraw/zinc/06/66/79/330066679.db2.gz WOOZFSYBQQNTBS-OAHLLOKOSA-N 0 1 299.370 3.696 20 0 CHADMN Cc1nn(C)cc1CN[C@@H](c1ccccc1Cl)C(C)C ZINC000162577430 330075364 /nfs/dbraw/zinc/07/53/64/330075364.db2.gz ITDLCMIIHQVATC-MRXNPFEDSA-N 0 1 291.826 3.869 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccncc2Cl)s1 ZINC000421820069 330086571 /nfs/dbraw/zinc/08/65/71/330086571.db2.gz KMYSNWZTMQXKAA-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN COc1cc(Cl)ccc1[C@H](C)NCc1cnccc1C ZINC000421856499 330089412 /nfs/dbraw/zinc/08/94/12/330089412.db2.gz OBUZZMLYVTVTGF-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CCN(Cc1ccn(C)c1)Cc1ccc(Cl)s1 ZINC000162746214 330111252 /nfs/dbraw/zinc/11/12/52/330111252.db2.gz OGCYDQWJMKRTPC-UHFFFAOYSA-N 0 1 268.813 3.762 20 0 CHADMN CCc1noc(C)c1CN(CC)Cc1ccccc1C ZINC000162783520 330117051 /nfs/dbraw/zinc/11/70/51/330117051.db2.gz SRUBHXMPBQUPEQ-UHFFFAOYSA-N 0 1 272.392 3.876 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2nc(C)cs2)C1 ZINC000081672000 330215058 /nfs/dbraw/zinc/21/50/58/330215058.db2.gz CMFDPHZDWRGTGA-GFCCVEGCSA-N 0 1 270.467 3.559 20 0 CHADMN c1cc2cccc(CNc3nc4ccccc4s3)c2[nH]1 ZINC000527209985 330237339 /nfs/dbraw/zinc/23/73/39/330237339.db2.gz MPCRGLZSOXBUCY-UHFFFAOYSA-N 0 1 279.368 3.812 20 0 CHADMN CC1(C)C[C@H](NCC2(F)CC2)c2ccc(F)cc2O1 ZINC000527238319 330240667 /nfs/dbraw/zinc/24/06/67/330240667.db2.gz UBDWOHFVWHGRKW-LBPRGKRZSA-N 0 1 267.319 3.520 20 0 CHADMN CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cccc([O-])c1Cl ZINC000399626385 330245346 /nfs/dbraw/zinc/24/53/46/330245346.db2.gz SYYSIICMQXMZFQ-PWSUYJOCSA-N 0 1 253.773 3.666 20 0 CHADMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cccc([O-])c1Cl ZINC000399626385 330245348 /nfs/dbraw/zinc/24/53/48/330245348.db2.gz SYYSIICMQXMZFQ-PWSUYJOCSA-N 0 1 253.773 3.666 20 0 CHADMN Cc1cc([C@H](C)NCc2cccc3c2OCO3)c(C)s1 ZINC000036325187 330254046 /nfs/dbraw/zinc/25/40/46/330254046.db2.gz COBNSTDVWKDZPS-NSHDSACASA-N 0 1 289.400 3.944 20 0 CHADMN C[N@@H+](Cc1cccc(C(F)(F)F)c1)CC1(F)CC1 ZINC000527509548 330254714 /nfs/dbraw/zinc/25/47/14/330254714.db2.gz UKYPCDIHNHKHEQ-UHFFFAOYSA-N 0 1 261.262 3.639 20 0 CHADMN CN(Cc1cccc(C(F)(F)F)c1)CC1(F)CC1 ZINC000527509548 330254716 /nfs/dbraw/zinc/25/47/16/330254716.db2.gz UKYPCDIHNHKHEQ-UHFFFAOYSA-N 0 1 261.262 3.639 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(CO)ccc1F ZINC000528398997 330255233 /nfs/dbraw/zinc/25/52/33/330255233.db2.gz HKSBJUGTAPRGCX-KSSFIOAISA-N 0 1 299.389 3.696 20 0 CHADMN CC(C)c1nn(-c2ccccc2)cc1CNCC1(F)CC1 ZINC000527522366 330256582 /nfs/dbraw/zinc/25/65/82/330256582.db2.gz NBMPOVKHADSIJM-UHFFFAOYSA-N 0 1 287.382 3.587 20 0 CHADMN Cc1cc(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)ccn1 ZINC000527537435 330260455 /nfs/dbraw/zinc/26/04/55/330260455.db2.gz BZCLDPGQYTWBBM-ZDUSSCGKSA-N 0 1 286.341 3.800 20 0 CHADMN Cc1cc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)ccn1 ZINC000527540990 330261290 /nfs/dbraw/zinc/26/12/90/330261290.db2.gz WYBXGRMAYOADGV-CQSZACIVSA-N 0 1 298.352 3.945 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)C[C@H]2c2ccco2)ccn1 ZINC000527532833 330262544 /nfs/dbraw/zinc/26/25/44/330262544.db2.gz DVILWTJDXPMVIF-CJNGLKHVSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1cc(CN2C[C@H](C)[C@@H]2c2ccccc2)ccn1 ZINC000527533713 330262907 /nfs/dbraw/zinc/26/29/07/330262907.db2.gz JLJZWRBNSBAENH-SUMWQHHRSA-N 0 1 252.361 3.583 20 0 CHADMN Cc1cc(CN(Cc2cccs2)C2CC2)ccn1 ZINC000527533622 330262994 /nfs/dbraw/zinc/26/29/94/330262994.db2.gz KEDRVNJTRVVZKY-UHFFFAOYSA-N 0 1 258.390 3.616 20 0 CHADMN CC(C)c1ncc2c(n1)CCN(C/C=C\c1ccccc1)C2 ZINC000527618455 330265640 /nfs/dbraw/zinc/26/56/40/330265640.db2.gz KFGYCYCWGDMAFI-TWGQIWQCSA-N 0 1 293.414 3.672 20 0 CHADMN CCOc1cc(CNCc2ccccc2)c(F)cc1OC ZINC000527633198 330267005 /nfs/dbraw/zinc/26/70/05/330267005.db2.gz TVXREEWNISZRRT-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN CC(C)Cc1ccccc1CNCc1ccnn1C(C)C ZINC000527733416 330278327 /nfs/dbraw/zinc/27/83/27/330278327.db2.gz PCTNUQSOYWDMIW-UHFFFAOYSA-N 0 1 285.435 3.952 20 0 CHADMN CCc1ncc(CN[C@H](c2ccccn2)C2CCC2)s1 ZINC000527770200 330281963 /nfs/dbraw/zinc/28/19/63/330281963.db2.gz DEISJMFIUXTSJP-INIZCTEOSA-N 0 1 287.432 3.732 20 0 CHADMN CCc1nocc1CN[C@H]1CCc2cc(Cl)ccc21 ZINC000527794460 330283729 /nfs/dbraw/zinc/28/37/29/330283729.db2.gz GDUJLNHIGJFFTP-HNNXBMFYSA-N 0 1 276.767 3.668 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](c1cccc(C)c1)C(C)C ZINC000527805943 330284349 /nfs/dbraw/zinc/28/43/49/330284349.db2.gz CTRQNQLJUBDMHL-MRXNPFEDSA-N 0 1 257.381 3.513 20 0 CHADMN CC[C@H](NCc1ccc(CO)o1)c1cc(C)ccc1C ZINC000527821338 330286284 /nfs/dbraw/zinc/28/62/84/330286284.db2.gz NGOKHPRBSVPEIJ-KRWDZBQOSA-N 0 1 273.376 3.630 20 0 CHADMN CCn1ccc(CN[C@H](c2cccc(C)c2)C(C)C)n1 ZINC000527907089 330290450 /nfs/dbraw/zinc/29/04/50/330290450.db2.gz FMIXJCUGKRGMTF-KRWDZBQOSA-N 0 1 271.408 3.698 20 0 CHADMN CC[C@H](N[C@@H](C)c1nccn1C)c1cc(C)ccc1C ZINC000527909500 330290462 /nfs/dbraw/zinc/29/04/62/330290462.db2.gz BJHNMGNEXAVUCC-HOCLYGCPSA-N 0 1 271.408 3.839 20 0 CHADMN Fc1cc2c(cc1Cl)[C@@H](NCc1cncs1)CC2 ZINC000527889800 330292080 /nfs/dbraw/zinc/29/20/80/330292080.db2.gz IXARZYQYJBINKI-ZDUSSCGKSA-N 0 1 282.771 3.713 20 0 CHADMN CC(C)n1cncc1CNC(C)(C)c1ccc(F)c(F)c1 ZINC000424150465 330297003 /nfs/dbraw/zinc/29/70/03/330297003.db2.gz YZFHVBXJGGTJTA-UHFFFAOYSA-N 0 1 293.361 3.767 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cccnc1C)CCCO2 ZINC000527984409 330298617 /nfs/dbraw/zinc/29/86/17/330298617.db2.gz GCYOBCPXNOSYDL-QGZVFWFLSA-N 0 1 282.387 3.702 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1cccnc1C ZINC000527988153 330298947 /nfs/dbraw/zinc/29/89/47/330298947.db2.gz RQOUIICNZNLAQH-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN CC[C@H](NCc1cccnc1C)c1ccccc1F ZINC000527989364 330299097 /nfs/dbraw/zinc/29/90/97/330299097.db2.gz YMABZHVLMKRRJI-INIZCTEOSA-N 0 1 258.340 3.770 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@@H](C)c2ncccc2F)C1(CC)CC ZINC000528036618 330302930 /nfs/dbraw/zinc/30/29/30/330302930.db2.gz VGHVZZIXQLDXSS-AEGPPILISA-N 0 1 294.414 3.855 20 0 CHADMN CC(C)n1cncc1CN[C@H]1CCc2sc(Cl)cc21 ZINC000424168672 330310283 /nfs/dbraw/zinc/31/02/83/330310283.db2.gz GIDIOGIOLXAGCJ-LBPRGKRZSA-N 0 1 295.839 3.956 20 0 CHADMN C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000328080954 330311845 /nfs/dbraw/zinc/31/18/45/330311845.db2.gz BMKMHDGGZYMBEB-ZYHUDNBSSA-N 0 1 253.773 3.714 20 0 CHADMN c1cc(Oc2ccccc2)oc1CN[C@H]1CC12CC2 ZINC000424183462 330320032 /nfs/dbraw/zinc/32/00/32/330320032.db2.gz IZAZGYYXOAYRCP-AWEZNQCLSA-N 0 1 255.317 3.714 20 0 CHADMN Fc1ccc(CN[C@@H]2CC23CC3)c(Cl)c1Cl ZINC000424184484 330320163 /nfs/dbraw/zinc/32/01/63/330320163.db2.gz MIKAMZHCIIJLPL-SECBINFHSA-N 0 1 260.139 3.775 20 0 CHADMN Fc1ccc(CN[C@H]2CC23CC3)c(Cl)c1Cl ZINC000424184487 330320241 /nfs/dbraw/zinc/32/02/41/330320241.db2.gz MIKAMZHCIIJLPL-VIFPVBQESA-N 0 1 260.139 3.775 20 0 CHADMN CCN(Cc1nc2ccccc2c(=O)[nH]1)CC1CC(C)(C)C1 ZINC000528347470 330321384 /nfs/dbraw/zinc/32/13/84/330321384.db2.gz DLECMCFMLDVCAA-UHFFFAOYSA-N 0 1 299.418 3.594 20 0 CHADMN Cc1ccc2sc(CN3C4CCC3CC4)nc2c1 ZINC000528351340 330321491 /nfs/dbraw/zinc/32/14/91/330321491.db2.gz VTWZRFSKXKXZEB-UHFFFAOYSA-N 0 1 258.390 3.732 20 0 CHADMN C[C@@H]1CCCN(Cc2cccnc2C(F)(F)F)CC1 ZINC000528359139 330322242 /nfs/dbraw/zinc/32/22/42/330322242.db2.gz HFTNWRWTFDHIFS-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN CCC(CC)n1ccc(CN(C)CC2CCCC2)n1 ZINC000533004873 330324942 /nfs/dbraw/zinc/32/49/42/330324942.db2.gz OAFHOPMLOLMHBG-UHFFFAOYSA-N 0 1 263.429 3.866 20 0 CHADMN CC(C)[C@@H](NC(=O)c1cccc2nc[nH]c21)c1ccccc1 ZINC000533003273 330324997 /nfs/dbraw/zinc/32/49/97/330324997.db2.gz PVLUJQPXPBPWJU-MRXNPFEDSA-N 0 1 293.370 3.690 20 0 CHADMN c1oc(-c2ccccc2)nc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000424200703 330326616 /nfs/dbraw/zinc/32/66/16/330326616.db2.gz RDSPARBVPIVUJA-JKSUJKDBSA-N 0 1 268.360 3.620 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@H+]2CCCC[C@H]2CCC(=O)[O-])C1 ZINC000424254782 330332306 /nfs/dbraw/zinc/33/23/06/330332306.db2.gz HBMQHSHDAMSVFW-OAGGEKHMSA-N 0 1 281.440 3.922 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc(C)c(C)cc2C)on1 ZINC000044985997 330334631 /nfs/dbraw/zinc/33/46/31/330334631.db2.gz DUAPLGNYNAJPPG-AWEZNQCLSA-N 0 1 258.365 3.759 20 0 CHADMN Cc1cccc2c(-c3nc([C@@H](N)CC(C)C)no3)coc21 ZINC000424332019 330342693 /nfs/dbraw/zinc/34/26/93/330342693.db2.gz BOMRCDGXBNXPJM-ZDUSSCGKSA-N 0 1 285.347 3.837 20 0 CHADMN Fc1ccc(Br)c2c1CC[C@H]2N[C@@H]1CC12CC2 ZINC000424332558 330342824 /nfs/dbraw/zinc/34/28/24/330342824.db2.gz WTYQCOFTHKZQNS-VXGBXAGGSA-N 0 1 296.183 3.718 20 0 CHADMN C[C@@H](CCc1nc(C2(N)CCCCC2)no1)c1ccccc1 ZINC000424343642 330344465 /nfs/dbraw/zinc/34/44/65/330344465.db2.gz KBYCRKIYKOTKNA-AWEZNQCLSA-N 0 1 299.418 3.924 20 0 CHADMN COc1ccc([C@@H](C)N[C@H]2CCC[C@H]2F)c(Cl)c1 ZINC000424349893 330345257 /nfs/dbraw/zinc/34/52/57/330345257.db2.gz NRBMAQBPEUDSJO-FZQKWOKYSA-N 0 1 271.763 3.890 20 0 CHADMN CC[C@H](C)NC(=O)[C@@H](C)N(C)Cc1cccc2ccccc21 ZINC000533240327 330354489 /nfs/dbraw/zinc/35/44/89/330354489.db2.gz LXPPYGSSSNZMKO-LSDHHAIUSA-N 0 1 298.430 3.575 20 0 CHADMN CCCOc1cccc(CN(C)Cc2cccc(O)c2)c1 ZINC000533255625 330354911 /nfs/dbraw/zinc/35/49/11/330354911.db2.gz PHZUHCWNCOSRRO-UHFFFAOYSA-N 0 1 285.387 3.813 20 0 CHADMN CCC[C@H]1CCCN(Cc2nccn2Cc2ccccc2)C1 ZINC000533345495 330358425 /nfs/dbraw/zinc/35/84/25/330358425.db2.gz IPDQUQSDKKZKTC-KRWDZBQOSA-N 0 1 297.446 3.944 20 0 CHADMN CC(C)N(Cc1ncc(C(C)(C)C)o1)CC1CC1 ZINC000533352176 330359346 /nfs/dbraw/zinc/35/93/46/330359346.db2.gz QLLHPMVTGQHXSY-UHFFFAOYSA-N 0 1 250.386 3.593 20 0 CHADMN CC[C@@H](NCc1ccn(C(C)C)n1)c1cccs1 ZINC000085161292 330364419 /nfs/dbraw/zinc/36/44/19/330364419.db2.gz DSZNRLCDDXMFIP-CYBMUJFWSA-N 0 1 263.410 3.766 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000086775904 330370809 /nfs/dbraw/zinc/37/08/09/330370809.db2.gz KFCUVHVZBFCEKY-SECBINFHSA-N 0 1 290.190 3.851 20 0 CHADMN C[C@H](C[N@@H+](C)[C@@H](C)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000086807601 330371090 /nfs/dbraw/zinc/37/10/90/330371090.db2.gz LPUQWFXQTARWSO-BDAKNGLRSA-N 0 1 290.190 3.707 20 0 CHADMN CC=CC=CC(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC000119665738 330378331 /nfs/dbraw/zinc/37/83/31/330378331.db2.gz JKFWSMOODKYQTF-QTJNYWJXSA-N 0 1 296.374 3.666 20 0 CHADMN CCCCN(CCCC)C(=O)c1c(O)cccc1F ZINC000119688982 330378850 /nfs/dbraw/zinc/37/88/50/330378850.db2.gz GXQXWCZZZKBHOF-UHFFFAOYSA-N 0 1 267.344 3.574 20 0 CHADMN CCO[C@H](C)c1noc(CN(C)[C@@H]2CCCC[C@@H]2CC)n1 ZINC000120905710 330394042 /nfs/dbraw/zinc/39/40/42/330394042.db2.gz USFYUXNPBSPQLU-HZSPNIEDSA-N 0 1 295.427 3.568 20 0 CHADMN CCC[C@H]1CCC[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000121017153 330394966 /nfs/dbraw/zinc/39/49/66/330394966.db2.gz DTYVTZPXXKXQAL-LBPRGKRZSA-N 0 1 291.420 3.810 20 0 CHADMN CCC[C@H]1CCCN(Cc2nc(-c3ccsc3)no2)C1 ZINC000121017153 330394967 /nfs/dbraw/zinc/39/49/67/330394967.db2.gz DTYVTZPXXKXQAL-LBPRGKRZSA-N 0 1 291.420 3.810 20 0 CHADMN C[C@H](NCCOC1CCCCCC1)c1nccs1 ZINC000091726463 330402650 /nfs/dbraw/zinc/40/26/50/330402650.db2.gz KZTZCMBGFWSBSS-LBPRGKRZSA-N 0 1 268.426 3.533 20 0 CHADMN CCCOc1ccccc1NC(=O)c1c(O)cccc1F ZINC000121963350 330409564 /nfs/dbraw/zinc/40/95/64/330409564.db2.gz PPDSFUSLLBPSTR-UHFFFAOYSA-N 0 1 289.306 3.572 20 0 CHADMN CC(C)[C@H](C)CN[C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000537190246 330413388 /nfs/dbraw/zinc/41/33/88/330413388.db2.gz XZYKCQFJPQEUOG-CXAGYDPISA-N 0 1 289.398 3.530 20 0 CHADMN Cc1ccc([C@@H]([NH2+]Cc2cc3ccccc3o2)C(=O)[O-])cc1 ZINC000426711574 330514146 /nfs/dbraw/zinc/51/41/46/330514146.db2.gz PGPFLELJGPDJIQ-QGZVFWFLSA-N 0 1 295.338 3.657 20 0 CHADMN Fc1ccc2c(c1)nccc2NC1CC(F)(F)C1 ZINC000428662176 330529107 /nfs/dbraw/zinc/52/91/07/330529107.db2.gz CUULSSZZNPMXCH-UHFFFAOYSA-N 0 1 252.239 3.584 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)N[C@@H]3C[C@@H](C)[C@@H]3C)n2)cc1 ZINC000430087873 330559134 /nfs/dbraw/zinc/55/91/34/330559134.db2.gz VIINELTVISDFPN-LMOYCYGVSA-N 0 1 299.418 3.994 20 0 CHADMN O=C(N[C@H]1C=CCCC1)c1c(O)cc(Cl)cc1Cl ZINC000436582404 330680230 /nfs/dbraw/zinc/68/02/30/330680230.db2.gz HWRGMXOPPYARLX-VIFPVBQESA-N 0 1 286.158 3.538 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@]2(C)C(C)C)c1 ZINC000436648448 330682086 /nfs/dbraw/zinc/68/20/86/330682086.db2.gz UHHRDAVJKVMVHA-YVEFUNNKSA-N 0 1 289.375 3.606 20 0 CHADMN CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000436934848 330689196 /nfs/dbraw/zinc/68/91/96/330689196.db2.gz UMIMEICCYZQRPR-LBPRGKRZSA-N 0 1 295.810 3.944 20 0 CHADMN C[C@@H](NCc1cccc(C(F)F)c1)c1ccccn1 ZINC000155971249 330710334 /nfs/dbraw/zinc/71/03/34/330710334.db2.gz DJQVHVPJLSOSLS-LLVKDONJSA-N 0 1 262.303 3.870 20 0 CHADMN C[C@H](NCc1cccc(C(F)F)c1)c1ccccn1 ZINC000155971158 330710367 /nfs/dbraw/zinc/71/03/67/330710367.db2.gz DJQVHVPJLSOSLS-NSHDSACASA-N 0 1 262.303 3.870 20 0 CHADMN CC(C)N(C)c1ccccc1CNCc1ccsc1 ZINC000438346298 330722236 /nfs/dbraw/zinc/72/22/36/330722236.db2.gz PDVPJEWITHXYPR-UHFFFAOYSA-N 0 1 274.433 3.883 20 0 CHADMN COCc1ccc(CNc2nccn2-c2ccccc2)cc1 ZINC000438931898 330731152 /nfs/dbraw/zinc/73/11/52/330731152.db2.gz PVFGRPVGQNSGJR-UHFFFAOYSA-N 0 1 293.370 3.631 20 0 CHADMN CC[C@@H](F)CN[C@@H](C)c1ccccc1OC(F)F ZINC000440786143 330756356 /nfs/dbraw/zinc/75/63/56/330756356.db2.gz YCIVNTXEJMZMKW-VHSXEESVSA-N 0 1 261.287 3.687 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1cc(C(F)(F)F)n[nH]1 ZINC000440807937 330756791 /nfs/dbraw/zinc/75/67/91/330756791.db2.gz PKJVUBVCXPIEPE-SNVBAGLBSA-N 0 1 283.297 3.588 20 0 CHADMN CC(C)(NCc1cc(C(F)(F)F)n[nH]1)c1cccs1 ZINC000440821130 330756918 /nfs/dbraw/zinc/75/69/18/330756918.db2.gz MPXJHISRSSNHSH-UHFFFAOYSA-N 0 1 289.326 3.515 20 0 CHADMN CC(C)C1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000441460116 330769301 /nfs/dbraw/zinc/76/93/01/330769301.db2.gz XOLPKBNPVCSBHY-ZDUSSCGKSA-N 0 1 292.398 3.521 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000443194669 330796394 /nfs/dbraw/zinc/79/63/94/330796394.db2.gz JKLIRQFAOGULJF-RYUDHWBXSA-N 0 1 296.374 3.591 20 0 CHADMN CCC1(C)CCN(Cc2nc(C)sc2C)CC1 ZINC000443631072 330802551 /nfs/dbraw/zinc/80/25/51/330802551.db2.gz LBKFZZPDIWNDKB-UHFFFAOYSA-N 0 1 252.427 3.772 20 0 CHADMN Fc1cccc(F)c1-n1ccc(CN2CCCCCC2)n1 ZINC000443628378 330803641 /nfs/dbraw/zinc/80/36/41/330803641.db2.gz SELWJCFYVMUQOU-UHFFFAOYSA-N 0 1 291.345 3.527 20 0 CHADMN Cc1ccc(CNc2cnccc2-n2cccn2)cc1Cl ZINC000443988641 330808572 /nfs/dbraw/zinc/80/85/72/330808572.db2.gz MHZDFYNCGBVOMG-UHFFFAOYSA-N 0 1 298.777 3.841 20 0 CHADMN C[C@H]1OCC[C@]1(C)NCc1nc(C2CCCCC2)cs1 ZINC000444710064 330821101 /nfs/dbraw/zinc/82/11/01/330821101.db2.gz UFRLWYKXWTXZAE-WBMJQRKESA-N 0 1 294.464 3.848 20 0 CHADMN Cc1cc(N2C[C@H](C)O[C@@H](C)[C@H]2C)c2cc(F)ccc2n1 ZINC000445663983 330834235 /nfs/dbraw/zinc/83/42/35/330834235.db2.gz IXRBMOXFDMAZFB-XQQFMLRXSA-N 0 1 288.366 3.684 20 0 CHADMN Cc1ccc(CNCc2ccnn2-c2ccccc2)cc1F ZINC000447935182 330880652 /nfs/dbraw/zinc/88/06/52/330880652.db2.gz DXYSVOUQGYZTPF-UHFFFAOYSA-N 0 1 295.361 3.610 20 0 CHADMN CC1(Cc2nc(-c3ccn4cncc4c3)no2)CCCCC1 ZINC000447960791 330881433 /nfs/dbraw/zinc/88/14/33/330881433.db2.gz CDXCSMNQJXRDEM-UHFFFAOYSA-N 0 1 296.374 3.897 20 0 CHADMN Cc1cnc(CNCCSCc2ccccc2F)s1 ZINC000449057547 330895926 /nfs/dbraw/zinc/89/59/26/330895926.db2.gz CYKCHQRUIBOGOE-UHFFFAOYSA-N 0 1 296.436 3.614 20 0 CHADMN COCC[C@@H](NCc1cccc2ccoc21)c1ccco1 ZINC000449231010 330907834 /nfs/dbraw/zinc/90/78/34/330907834.db2.gz NHGABJNLBJGNKC-OAHLLOKOSA-N 0 1 285.343 3.893 20 0 CHADMN Cc1cccc(C)c1[C@@H](C)NCc1ccncc1F ZINC000449243725 330909103 /nfs/dbraw/zinc/90/91/03/330909103.db2.gz MSJNQNBLKNBWBV-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1noc([C@H](C)N[C@@H]2CC[C@H](CCC(C)C)C2)n1 ZINC000449280589 330911542 /nfs/dbraw/zinc/91/15/42/330911542.db2.gz XZOOETBPLYPAMV-FPMFFAJLSA-N 0 1 265.401 3.634 20 0 CHADMN OC[C@H](CC1CCC1)NCc1cc(Cl)sc1Cl ZINC000449296971 330912612 /nfs/dbraw/zinc/91/26/12/330912612.db2.gz DTRRJDVGKYFMMP-JTQLQIEISA-N 0 1 294.247 3.696 20 0 CHADMN CC1(F)CC(NCc2ccc(F)cc2Br)C1 ZINC000449370607 330919535 /nfs/dbraw/zinc/91/95/35/330919535.db2.gz LENQDLQUYOFXBL-UHFFFAOYSA-N 0 1 290.151 3.568 20 0 CHADMN C[C@H](CC(C)(C)c1ccccc1)NC(CF)CF ZINC000449379162 330920810 /nfs/dbraw/zinc/92/08/10/330920810.db2.gz GZALECUUODGEGF-GFCCVEGCSA-N 0 1 255.352 3.640 20 0 CHADMN COc1ccc([C@H](C)[C@@H](C)N[C@@H](C)C(C)(F)F)cc1 ZINC000449412750 330923635 /nfs/dbraw/zinc/92/36/35/330923635.db2.gz GLCYZUZDDJWCKJ-UTUOFQBUSA-N 0 1 271.351 3.821 20 0 CHADMN FCC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000449461473 330927542 /nfs/dbraw/zinc/92/75/42/330927542.db2.gz SWUNJPXVJCAONF-UHFFFAOYSA-N 0 1 286.188 3.631 20 0 CHADMN CCc1ncc(CN[C@@H]2c3cc(C)ccc3C[C@H]2C)o1 ZINC000449609331 330939330 /nfs/dbraw/zinc/93/93/30/330939330.db2.gz MWNQFNBJYUDVGF-PXAZEXFGSA-N 0 1 270.376 3.569 20 0 CHADMN CCCc1ncc(CNC/C=C/c2ccc(F)cc2F)o1 ZINC000449614376 330940121 /nfs/dbraw/zinc/94/01/21/330940121.db2.gz VICHQWQTPJTCPH-HWKANZROSA-N 0 1 292.329 3.708 20 0 CHADMN CCC(CC)[C@H](NCc1cnns1)c1ccccc1 ZINC000450667447 330992079 /nfs/dbraw/zinc/99/20/79/330992079.db2.gz WIMCAORLHPQWRS-HNNXBMFYSA-N 0 1 275.421 3.805 20 0 CHADMN CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000450814936 331000873 /nfs/dbraw/zinc/00/08/73/331000873.db2.gz ZYEGZDYLQXGDOD-WCQYABFASA-N 0 1 279.453 3.816 20 0 CHADMN CC[C@H]1CCCC[C@H]1N(C)Cc1nnc(C2CC2)s1 ZINC000450814936 331000874 /nfs/dbraw/zinc/00/08/74/331000874.db2.gz ZYEGZDYLQXGDOD-WCQYABFASA-N 0 1 279.453 3.816 20 0 CHADMN C(=C/c1ccccc1)\CCN1CCc2ncsc2C1 ZINC000450824902 331001366 /nfs/dbraw/zinc/00/13/66/331001366.db2.gz FSAFVJFBNFAYEQ-XBXARRHUSA-N 0 1 270.401 3.605 20 0 CHADMN C[C@@H](NCCC(C)(F)F)c1nc(C(F)(F)F)cs1 ZINC000450869256 331003933 /nfs/dbraw/zinc/00/39/33/331003933.db2.gz BCOWNZOXPMILHK-ZCFIWIBFSA-N 0 1 288.285 3.858 20 0 CHADMN Cc1ccccc1[C@@]1(F)CCN(CC2CC(F)(F)C2)C1 ZINC000450924077 331007321 /nfs/dbraw/zinc/00/73/21/331007321.db2.gz FHKXMJUVPWNGGH-OAHLLOKOSA-N 0 1 283.337 3.911 20 0 CHADMN CCC(=O)CCCN1CC[C@@](F)(c2ccccc2C)C1 ZINC000450922691 331007423 /nfs/dbraw/zinc/00/74/23/331007423.db2.gz AQJILRMTLNWDOU-KRWDZBQOSA-N 0 1 277.383 3.625 20 0 CHADMN c1sc(CN2CCC[C@@H](c3ccncc3)C2)nc1C1CC1 ZINC000451000213 331011191 /nfs/dbraw/zinc/01/11/91/331011191.db2.gz DYULSHVNPRQBPK-OAHLLOKOSA-N 0 1 299.443 3.795 20 0 CHADMN COc1cc(CN(C)Cc2occc2C)ccc1Cl ZINC000451055054 331013777 /nfs/dbraw/zinc/01/37/77/331013777.db2.gz NHDOWQHBPSVEBU-UHFFFAOYSA-N 0 1 279.767 3.882 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C(C)(C)C1CCC1 ZINC000451130773 331016811 /nfs/dbraw/zinc/01/68/11/331016811.db2.gz QPNVCFVNZIMOHB-UHFFFAOYSA-N 0 1 271.364 3.636 20 0 CHADMN CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc2cn[nH]c2cc1C ZINC000451131055 331016820 /nfs/dbraw/zinc/01/68/20/331016820.db2.gz RNARKAMFGCKOIW-YPMHNXCESA-N 0 1 271.364 3.636 20 0 CHADMN C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@H](F)C1 ZINC000451191886 331019714 /nfs/dbraw/zinc/01/97/14/331019714.db2.gz SCEIJVZLNIZPJZ-SKDRFNHKSA-N 0 1 261.262 3.810 20 0 CHADMN CC1(C)OCC[C@H]1NCc1csc(C2CCCCC2)n1 ZINC000451235789 331021399 /nfs/dbraw/zinc/02/13/99/331021399.db2.gz LCCKSWYPTHMCTP-CQSZACIVSA-N 0 1 294.464 3.848 20 0 CHADMN CCC1(NCc2nc([C@H](C)OCC(C)C)no2)CCCC1 ZINC000451276301 331022903 /nfs/dbraw/zinc/02/29/03/331022903.db2.gz OHMFCWSPBPLTCE-ZDUSSCGKSA-N 0 1 295.427 3.616 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@]1(C)CCC[C@H]1C ZINC000451335803 331024798 /nfs/dbraw/zinc/02/47/98/331024798.db2.gz DMBBNHKPUCSLRI-BDJLRTHQSA-N 0 1 271.364 3.636 20 0 CHADMN CC(C)(C)c1cnc(CN2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)o1 ZINC000451375491 331026330 /nfs/dbraw/zinc/02/63/30/331026330.db2.gz UULFBKAOGJEFNO-NPSOMJIGSA-N 0 1 286.419 3.616 20 0 CHADMN CO[C@@H]1CCN([C@@H](C)c2ccc(F)c(Cl)c2)C[C@H]1C ZINC000451551660 331033956 /nfs/dbraw/zinc/03/39/56/331033956.db2.gz WRTCWWLXWCNIAM-JRPNMDOOSA-N 0 1 285.790 3.897 20 0 CHADMN CO[C@H]1CCN(Cc2cccc(F)c2Cl)CC1(C)C ZINC000451566785 331034759 /nfs/dbraw/zinc/03/47/59/331034759.db2.gz PAOVHMLGSBIZSY-ZDUSSCGKSA-N 0 1 285.790 3.726 20 0 CHADMN CC(C)CC[C@@H](O)CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451843118 331044447 /nfs/dbraw/zinc/04/44/47/331044447.db2.gz FZOAJCNYVAGMPB-GDBMZVCRSA-N 0 1 277.408 3.604 20 0 CHADMN CSCCCN1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451877452 331045946 /nfs/dbraw/zinc/04/59/46/331045946.db2.gz IOTWLQLFACUPNG-OAHLLOKOSA-N 0 1 289.448 3.843 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H]2CCC[C@@H]2CC)c1 ZINC000451900274 331046769 /nfs/dbraw/zinc/04/67/69/331046769.db2.gz ZSNHAOSRNKQHAL-WCQYABFASA-N 0 1 289.375 3.750 20 0 CHADMN Fc1ccc([C@@H]2CCCN2CCOCC2CC2)c(F)c1 ZINC000451976269 331049168 /nfs/dbraw/zinc/04/91/68/331049168.db2.gz YAGNBNPEBPILJJ-INIZCTEOSA-N 0 1 281.346 3.528 20 0 CHADMN Cc1ccccc1Cc1noc(CN2[C@H](C)CCC2(C)C)n1 ZINC000452001387 331049885 /nfs/dbraw/zinc/04/98/85/331049885.db2.gz CTTDKKRWQDCBBY-CQSZACIVSA-N 0 1 299.418 3.732 20 0 CHADMN CO[C@@H](C)c1nc(CN2[C@@H](C)CCC2(C)C)cs1 ZINC000452007149 331050195 /nfs/dbraw/zinc/05/01/95/331050195.db2.gz MTRLCKWSFPKADU-QWRGUYRKSA-N 0 1 268.426 3.613 20 0 CHADMN CO[C@H](C)c1nc(CN2[C@H](C)CCC2(C)C)cs1 ZINC000452007011 331050203 /nfs/dbraw/zinc/05/02/03/331050203.db2.gz MTRLCKWSFPKADU-GHMZBOCLSA-N 0 1 268.426 3.613 20 0 CHADMN C[C@H]1CCC(C)(C)N1Cc1nnc(-c2ccccc2)s1 ZINC000452010637 331050221 /nfs/dbraw/zinc/05/02/21/331050221.db2.gz QSXDKCUSBFEXBO-LBPRGKRZSA-N 0 1 287.432 3.968 20 0 CHADMN CC(C)c1noc([C@@H](C)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)n1 ZINC000452041239 331051661 /nfs/dbraw/zinc/05/16/61/331051661.db2.gz JEUWMSMJCMYBNY-NLIDSEJHSA-N 0 1 289.423 3.622 20 0 CHADMN CCc1noc(C)c1CN(C)Cc1ccc(C)c(C)c1 ZINC000452044788 331052013 /nfs/dbraw/zinc/05/20/13/331052013.db2.gz SIXUNYNEDDZYOH-UHFFFAOYSA-N 0 1 272.392 3.794 20 0 CHADMN C[C@H](NCc1nc(C(C)(C)C)no1)[C@H]1CCC[C@H](C)C1 ZINC000452072040 331052956 /nfs/dbraw/zinc/05/29/56/331052956.db2.gz RYTMELBCQVFZEK-AVGNSLFASA-N 0 1 279.428 3.672 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@]2(C)CCC[C@@H]2C)c1 ZINC000452194310 331057964 /nfs/dbraw/zinc/05/79/64/331057964.db2.gz LFZDRPSAXLIKJE-GTNSWQLSSA-N 0 1 289.375 3.750 20 0 CHADMN C[C@@H](NCc1ccccc1N1CCCCC1)c1ccccn1 ZINC000194886609 331070524 /nfs/dbraw/zinc/07/05/24/331070524.db2.gz XADPTBYPMDPCGX-MRXNPFEDSA-N 0 1 295.430 3.923 20 0 CHADMN CCCOc1ncccc1CN[C@@H](CC)c1ccncc1 ZINC000453066242 331085973 /nfs/dbraw/zinc/08/59/73/331085973.db2.gz ILASGPOTVRYSQB-INIZCTEOSA-N 0 1 285.391 3.506 20 0 CHADMN CC[C@@H](NCc1ccc(OCC2CC2)nc1)c1ccncc1 ZINC000453076926 331086938 /nfs/dbraw/zinc/08/69/38/331086938.db2.gz AOUSHTOMAACSHQ-QGZVFWFLSA-N 0 1 297.402 3.506 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccncn2)cc1C ZINC000453085388 331087820 /nfs/dbraw/zinc/08/78/20/331087820.db2.gz KAYVBFVOBQZKTA-KGLIPLIRSA-N 0 1 255.365 3.505 20 0 CHADMN CCCOc1ccc(CN[C@@H](CC)c2ccncc2)cn1 ZINC000453108327 331089808 /nfs/dbraw/zinc/08/98/08/331089808.db2.gz KORFTYSTLRAWAT-INIZCTEOSA-N 0 1 285.391 3.506 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1cn[nH]c1)c1ccc(F)cc1F ZINC000453136824 331092973 /nfs/dbraw/zinc/09/29/73/331092973.db2.gz KSLQMLRZISBWEM-MEBBXXQBSA-N 0 1 279.334 3.736 20 0 CHADMN CC[C@H](N[C@H](COC)c1ccc(F)cc1)c1ccncc1 ZINC000453150955 331094509 /nfs/dbraw/zinc/09/45/09/331094509.db2.gz NDPPEUADAKANCY-DLBZAZTESA-N 0 1 288.366 3.649 20 0 CHADMN Cn1ccnc1[C@@H](NCC1(C)CC1)c1ccc(Cl)cc1 ZINC000453155270 331095037 /nfs/dbraw/zinc/09/50/37/331095037.db2.gz SXUCLKYFXIVLPW-AWEZNQCLSA-N 0 1 289.810 3.553 20 0 CHADMN CC[C@H](NCc1cccc(OC(C)(C)C)n1)c1ccncc1 ZINC000453159739 331095439 /nfs/dbraw/zinc/09/54/39/331095439.db2.gz FTXVBKYPMHHEOJ-INIZCTEOSA-N 0 1 299.418 3.895 20 0 CHADMN CC[C@@H](N[C@@H](CC)c1ccncc1)c1c(C)noc1C ZINC000453181781 331098088 /nfs/dbraw/zinc/09/80/88/331098088.db2.gz QMZMNAUXZSPDKK-LSDHHAIUSA-N 0 1 273.380 3.878 20 0 CHADMN Cc1cccc(C)c1[C@H](C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000453205434 331101205 /nfs/dbraw/zinc/10/12/05/331101205.db2.gz XBCIFGWRVHFANK-KKUMJFAQSA-N 0 1 269.392 3.857 20 0 CHADMN CC(F)(F)CCN[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000453215731 331102455 /nfs/dbraw/zinc/10/24/55/331102455.db2.gz GRTCRFBYVYDSIB-HNNXBMFYSA-N 0 1 294.320 3.945 20 0 CHADMN C[C@H](N[C@@H]1CCn2ccnc21)c1ccc(F)c2ccccc21 ZINC000453231150 331104556 /nfs/dbraw/zinc/10/45/56/331104556.db2.gz QBRNUFRCZPUFMX-YVEFUNNKSA-N 0 1 295.361 3.971 20 0 CHADMN CCC[C@@H](CN[C@@H](C)c1csc(C(C)C)n1)OC ZINC000453252857 331107843 /nfs/dbraw/zinc/10/78/43/331107843.db2.gz OLRDOFIBIPRUIM-RYUDHWBXSA-N 0 1 270.442 3.732 20 0 CHADMN COC[C@H](NCc1cc(C)cs1)c1ccc(F)c(F)c1 ZINC000453307180 331114148 /nfs/dbraw/zinc/11/41/48/331114148.db2.gz BEACDCZMVAMAPF-HNNXBMFYSA-N 0 1 297.370 3.812 20 0 CHADMN CC[C@@](C)(CN[C@H](C)c1nc(C(F)(F)F)cs1)OC ZINC000453308092 331114173 /nfs/dbraw/zinc/11/41/73/331114173.db2.gz VLHRONFWFVREGM-KCJUWKMLSA-N 0 1 296.358 3.628 20 0 CHADMN CC[C@@](C)(CN[C@@H](C)c1nc(C(F)(F)F)cs1)OC ZINC000453308093 331114245 /nfs/dbraw/zinc/11/42/45/331114245.db2.gz VLHRONFWFVREGM-KWQFWETISA-N 0 1 296.358 3.628 20 0 CHADMN Cc1csc(CN[C@@H](C)c2ccc(Cl)cn2)c1 ZINC000453319062 331115978 /nfs/dbraw/zinc/11/59/78/331115978.db2.gz NCSSUGMPXGVNKQ-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN c1nc(C2CC2)oc1CN[C@@H](c1ccccc1)C1CC1 ZINC000453338669 331118855 /nfs/dbraw/zinc/11/88/55/331118855.db2.gz CFLQHKFRSUCXSA-INIZCTEOSA-N 0 1 268.360 3.793 20 0 CHADMN COc1ccc([C@@H](NCc2cnc(C3CC3)o2)C2CC2)cc1 ZINC000453346508 331120080 /nfs/dbraw/zinc/12/00/80/331120080.db2.gz IGKUPJPNUITYEE-KRWDZBQOSA-N 0 1 298.386 3.802 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@H]1NCc1cnc(C2CC2)o1 ZINC000453355553 331121571 /nfs/dbraw/zinc/12/15/71/331121571.db2.gz MLAQXVUJJLIFNI-BZNIZROVSA-N 0 1 268.360 3.575 20 0 CHADMN COc1cccnc1CN[C@H]1CCC(C)(C)c2ccccc21 ZINC000453360585 331122431 /nfs/dbraw/zinc/12/24/31/331122431.db2.gz KJECLFQFHVMYGC-INIZCTEOSA-N 0 1 296.414 3.993 20 0 CHADMN CCCc1ncc(CN[C@H]2CCCc3cc(F)ccc32)o1 ZINC000453374043 331124482 /nfs/dbraw/zinc/12/44/82/331124482.db2.gz JAFKXHOPKILWFO-INIZCTEOSA-N 0 1 288.366 3.933 20 0 CHADMN CCCc1ncc(CN[C@@H](C)c2cccc(C)c2)o1 ZINC000453383045 331126039 /nfs/dbraw/zinc/12/60/39/331126039.db2.gz MAUQQEYTWZVQDB-ZDUSSCGKSA-N 0 1 258.365 3.786 20 0 CHADMN CCC[C@H](NCc1cnc(CC)o1)c1ccc(OC)cc1 ZINC000453388939 331127033 /nfs/dbraw/zinc/12/70/33/331127033.db2.gz XIDULTBEZGLECF-INIZCTEOSA-N 0 1 288.391 3.877 20 0 CHADMN CCc1ncc(CN[C@H]2CC[C@H](C)c3ccccc32)o1 ZINC000453394654 331127807 /nfs/dbraw/zinc/12/78/07/331127807.db2.gz SMFLMGSLLILSDK-LRDDRELGSA-N 0 1 270.376 3.965 20 0 CHADMN CC(C)(C)c1cnc(CNCCOCC2CCCC2)s1 ZINC000453591252 331135214 /nfs/dbraw/zinc/13/52/14/331135214.db2.gz ZOPRGVWPCQXVEC-UHFFFAOYSA-N 0 1 296.480 3.737 20 0 CHADMN CCc1cnc(CN[C@@H]2C[C@@]2(CC)C(C)C)s1 ZINC000453613802 331136468 /nfs/dbraw/zinc/13/64/68/331136468.db2.gz OVNGYUKGHHMOSD-OCCSQVGLSA-N 0 1 252.427 3.620 20 0 CHADMN CC[C@]1(C(C)C)C[C@@H]1NCc1csc(C2CC2)n1 ZINC000453621783 331136933 /nfs/dbraw/zinc/13/69/33/331136933.db2.gz YHNKGUQPLYQMOA-DZGCQCFKSA-N 0 1 264.438 3.935 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC[C@@H](CC(C)(C)C)C1 ZINC000457013047 331210281 /nfs/dbraw/zinc/21/02/81/331210281.db2.gz JKGZTBOMOFLLNB-ZDUSSCGKSA-N 0 1 291.439 3.740 20 0 CHADMN CC(C)N(C(=O)c1c(O)cccc1F)C1CC(C)(C)C1 ZINC000457072089 331211468 /nfs/dbraw/zinc/21/14/68/331211468.db2.gz KXNNJKKDAIEOMV-UHFFFAOYSA-N 0 1 279.355 3.571 20 0 CHADMN CC(C)(C)C1CC(C(=O)Nc2ccc3nc[nH]c3c2)C1 ZINC000457498382 331224915 /nfs/dbraw/zinc/22/49/15/331224915.db2.gz INGOQLQQVBKJJP-UHFFFAOYSA-N 0 1 271.364 3.574 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)CCCCC(C)C ZINC000457702442 331231733 /nfs/dbraw/zinc/23/17/33/331231733.db2.gz FLJNBKYDGBUZHQ-UHFFFAOYSA-N 0 1 273.327 3.811 20 0 CHADMN C[C@H](CC1CCCCC1)C(=O)NCc1ccc2cncn2c1 ZINC000457982703 331238611 /nfs/dbraw/zinc/23/86/11/331238611.db2.gz ZBOCGPYHXJOJJO-CQSZACIVSA-N 0 1 299.418 3.557 20 0 CHADMN Cc1nc(C2(NCC3CCC(F)(F)CC3)CCCC2)no1 ZINC000459339619 331276872 /nfs/dbraw/zinc/27/68/72/331276872.db2.gz CQQGKYOLLUVGBP-UHFFFAOYSA-N 0 1 299.365 3.562 20 0 CHADMN CCn1nncc1CN1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000459345900 331277051 /nfs/dbraw/zinc/27/70/51/331277051.db2.gz SXGYQKCFWAQJQZ-CRAIPNDOSA-N 0 1 298.434 3.580 20 0 CHADMN COCc1cc(CN2CCCC[C@@H]2CCC(C)C)no1 ZINC000459363500 331278267 /nfs/dbraw/zinc/27/82/67/331278267.db2.gz VGEBWAKEEUKUOP-OAHLLOKOSA-N 0 1 280.412 3.612 20 0 CHADMN CSc1cc(C)ccc1CNCc1cnc(C2CC2)nc1 ZINC000459428168 331280929 /nfs/dbraw/zinc/28/09/29/331280929.db2.gz BEJNNWIYAJDHNS-UHFFFAOYSA-N 0 1 299.443 3.674 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnc(C3CC3)nc2)ccc1F ZINC000459451929 331281902 /nfs/dbraw/zinc/28/19/02/331281902.db2.gz ZSZSUVNSUFXXIS-GFCCVEGCSA-N 0 1 285.366 3.652 20 0 CHADMN Clc1ccc(CNCc2ccc(C3CC3)cc2)nc1 ZINC000459454819 331282138 /nfs/dbraw/zinc/28/21/38/331282138.db2.gz CCLFZCZDZOMYPZ-UHFFFAOYSA-N 0 1 272.779 3.902 20 0 CHADMN Cc1cc(CNCC(C)(C)c2cccc(Cl)c2F)no1 ZINC000459530851 331286142 /nfs/dbraw/zinc/28/61/42/331286142.db2.gz MKNBACUCYPNTFC-UHFFFAOYSA-N 0 1 296.773 3.843 20 0 CHADMN CCN1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459589420 331289690 /nfs/dbraw/zinc/28/96/90/331289690.db2.gz IPCIIXSDEPCBJO-ZDUSSCGKSA-N 0 1 263.772 3.763 20 0 CHADMN CCC1(CC)CN(Cc2cn(C)nc2-c2cccs2)C1 ZINC000459598093 331289995 /nfs/dbraw/zinc/28/99/95/331289995.db2.gz RFLKCCZINMDBBI-UHFFFAOYSA-N 0 1 289.448 3.771 20 0 CHADMN CC(C)c1ncc(CN2CC(C3CCCC3)C2)s1 ZINC000459613585 331290616 /nfs/dbraw/zinc/29/06/16/331290616.db2.gz NFOJRSUMBZBPSH-UHFFFAOYSA-N 0 1 264.438 3.889 20 0 CHADMN COCC1(C)CN(Cc2ccc(C(C)(C)C)s2)C1 ZINC000459624916 331291085 /nfs/dbraw/zinc/29/10/85/331291085.db2.gz VVYRJUNIKOFNFS-UHFFFAOYSA-N 0 1 267.438 3.514 20 0 CHADMN CCC1(C)CN(Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000459637408 331291521 /nfs/dbraw/zinc/29/15/21/331291521.db2.gz RSWZTFGJZCWJRI-UHFFFAOYSA-N 0 1 285.334 3.529 20 0 CHADMN CC1(CC(F)(F)F)CN(Cc2cccc3[nH]ccc32)C1 ZINC000459643598 331291899 /nfs/dbraw/zinc/29/18/99/331291899.db2.gz UXVSUBDTYWGIOT-UHFFFAOYSA-N 0 1 282.309 3.942 20 0 CHADMN CCOc1ccc(CNCc2ccc(C)c(C)n2)cc1F ZINC000459660294 331292772 /nfs/dbraw/zinc/29/27/72/331292772.db2.gz FAPWMUQHPCAYAQ-UHFFFAOYSA-N 0 1 288.366 3.526 20 0 CHADMN CC(C)(C)c1nc(CNCc2cccc3ccccc32)n[nH]1 ZINC000459711972 331295298 /nfs/dbraw/zinc/29/52/98/331295298.db2.gz RNVITWKMDMUESF-UHFFFAOYSA-N 0 1 294.402 3.545 20 0 CHADMN CC[C@@H]1OCC[C@H]1NCc1cc(Cl)sc1Cl ZINC000459735959 331296868 /nfs/dbraw/zinc/29/68/68/331296868.db2.gz FSMSVKBHRXOSBX-BDAKNGLRSA-N 0 1 280.220 3.712 20 0 CHADMN CCC1(c2ccccc2)CN(Cc2ccc(C)cn2)C1 ZINC000459746684 331297941 /nfs/dbraw/zinc/29/79/41/331297941.db2.gz HYSYYOZQQTTZBQ-UHFFFAOYSA-N 0 1 266.388 3.554 20 0 CHADMN Cc1nc(CN2CC3(CCCCC3)[C@@H]2c2ccccc2)n[nH]1 ZINC000459759528 331298865 /nfs/dbraw/zinc/29/88/65/331298865.db2.gz WGFDBHYREIGZHN-KRWDZBQOSA-N 0 1 296.418 3.621 20 0 CHADMN C[C@H](Cc1cccc(F)c1)N(C)Cc1ccncc1Cl ZINC000459768324 331299689 /nfs/dbraw/zinc/29/96/89/331299689.db2.gz QYZMQKGDUHFWNM-GFCCVEGCSA-N 0 1 292.785 3.937 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000166845137 331307555 /nfs/dbraw/zinc/30/75/55/331307555.db2.gz GDWJYKYVBREJMX-MXWKQRLJSA-N 0 1 281.783 3.552 20 0 CHADMN Fc1cc(F)c(CNc2cc3c(cn2)CCCC3)cc1F ZINC000461212016 331311896 /nfs/dbraw/zinc/31/18/96/331311896.db2.gz XSLYDCRVEIPOML-UHFFFAOYSA-N 0 1 292.304 3.990 20 0 CHADMN Cc1cc(CN=c2nc(-c3ccccc3)[nH]s2)ccc1F ZINC000461460730 331313438 /nfs/dbraw/zinc/31/34/38/331313438.db2.gz NTHLUWQTWNWWCI-UHFFFAOYSA-N 0 1 299.374 3.687 20 0 CHADMN Cc1ccccc1O[C@@H](C)CNCc1c(F)cccc1F ZINC000462736321 331326468 /nfs/dbraw/zinc/32/64/68/331326468.db2.gz GJLDARCFPMEOJK-ZDUSSCGKSA-N 0 1 291.341 3.830 20 0 CHADMN Cc1ccc(CN=c2nc(-c3ccccc3)[nH]s2)c(C)c1 ZINC000462781182 331328760 /nfs/dbraw/zinc/32/87/60/331328760.db2.gz YZOKIVIEVIPEAX-UHFFFAOYSA-N 0 1 295.411 3.856 20 0 CHADMN CO[C@@H](C)CN[C@H](C)c1csc(-c2ccccc2F)n1 ZINC000462806326 331330075 /nfs/dbraw/zinc/33/00/75/331330075.db2.gz WJJMCPBZGOWXMY-WDEREUQCSA-N 0 1 294.395 3.635 20 0 CHADMN CCC[C@H](C(=O)Nc1cc(C(=O)CC)ccc1O)C(C)C ZINC000462920255 331335137 /nfs/dbraw/zinc/33/51/37/331335137.db2.gz XGZFCIDFZIXRJN-ZDUSSCGKSA-N 0 1 291.391 3.996 20 0 CHADMN C[C@H](CC1CCOCC1)Nc1cc2c(cn1)CCCC2 ZINC000462938870 331335333 /nfs/dbraw/zinc/33/53/33/331335333.db2.gz KEMSMGDDHNXEHY-CYBMUJFWSA-N 0 1 274.408 3.578 20 0 CHADMN C[C@@H](Nc1cc2c(cn1)CCCC2)C1CCSCC1 ZINC000462969915 331336232 /nfs/dbraw/zinc/33/62/32/331336232.db2.gz VEXJGFGLNAEGFE-GFCCVEGCSA-N 0 1 276.449 3.904 20 0 CHADMN C[C@H]1c2cccn2CCN1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463083810 331340016 /nfs/dbraw/zinc/34/00/16/331340016.db2.gz HVJRIHNXGSDAOR-XIRDDKMYSA-N 0 1 266.388 3.668 20 0 CHADMN COCc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000463908680 331353614 /nfs/dbraw/zinc/35/36/14/331353614.db2.gz FBGQPIVCRCFPSU-UHFFFAOYSA-N 0 1 256.280 3.515 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000464196160 331357856 /nfs/dbraw/zinc/35/78/56/331357856.db2.gz BBOGBXWJJYMXOZ-CJNGLKHVSA-N 0 1 299.418 3.912 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1nnc(-c2ccccc2)s1 ZINC000464504074 331361720 /nfs/dbraw/zinc/36/17/20/331361720.db2.gz ZKFYBWKCMFLGDS-TZMCWYRMSA-N 0 1 287.432 3.968 20 0 CHADMN CC[C@@]1(C)CCN(Cc2nnc(-c3ccccc3)s2)C1 ZINC000464677813 331364504 /nfs/dbraw/zinc/36/45/04/331364504.db2.gz BQJFNYJLNQYTOX-INIZCTEOSA-N 0 1 287.432 3.827 20 0 CHADMN CCCCc1noc(CN2CCC[C@H](C)[C@H]2CCC)n1 ZINC000464733200 331365681 /nfs/dbraw/zinc/36/56/81/331365681.db2.gz MVWDPMRRPUPIMF-UONOGXRCSA-N 0 1 279.428 3.813 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2cn3ccccc3n2)C1 ZINC000464843922 331370917 /nfs/dbraw/zinc/37/09/17/331370917.db2.gz ZTNOHJBVFGPWRV-KRWDZBQOSA-N 0 1 271.408 3.737 20 0 CHADMN c1sc(Nc2ccccc2)nc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000464892275 331372963 /nfs/dbraw/zinc/37/29/63/331372963.db2.gz KGZVBMHHHZNWPP-OKILXGFUSA-N 0 1 299.443 3.541 20 0 CHADMN CCC[C@@H]1CCCN(Cc2cc(-c3ccco3)on2)C1 ZINC000466466831 331397762 /nfs/dbraw/zinc/39/77/62/331397762.db2.gz WBFKRSYVYFVLKK-CYBMUJFWSA-N 0 1 274.364 3.947 20 0 CHADMN Cc1ccc(CN[C@@H]2COc3ccc(F)cc32)c(C)c1 ZINC000466475694 331398119 /nfs/dbraw/zinc/39/81/19/331398119.db2.gz VJBZCJYUWHMZDI-MRXNPFEDSA-N 0 1 271.335 3.666 20 0 CHADMN Fc1ccc(CN2CCC([C@@H]3CCCO3)CC2)cc1Cl ZINC000469994510 331468942 /nfs/dbraw/zinc/46/89/42/331468942.db2.gz XXNWMZHBGQQBKF-INIZCTEOSA-N 0 1 297.801 3.870 20 0 CHADMN CCOCCC1(CNc2cc(C)ccn2)CCCC1 ZINC000471728873 331518629 /nfs/dbraw/zinc/51/86/29/331518629.db2.gz UZDMHRVIDQOCKO-UHFFFAOYSA-N 0 1 262.397 3.789 20 0 CHADMN CC(C)(CF)NCc1ccc(F)cc1C(F)(F)F ZINC000473076298 331546961 /nfs/dbraw/zinc/54/69/61/331546961.db2.gz PXBDFQJUCCBZMT-UHFFFAOYSA-N 0 1 267.241 3.682 20 0 CHADMN CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474445237 331587162 /nfs/dbraw/zinc/58/71/62/331587162.db2.gz LFLDJGYPWSUYPM-OQPBUACISA-N 0 1 271.719 3.559 20 0 CHADMN CCc1cccc(F)c1CNCc1cccc(COC)c1 ZINC000474481255 331589215 /nfs/dbraw/zinc/58/92/15/331589215.db2.gz VZIMOBDFRKUHBX-UHFFFAOYSA-N 0 1 287.378 3.824 20 0 CHADMN CCc1cccc(F)c1CNCc1cccc(N(C)C)c1 ZINC000474706836 331595199 /nfs/dbraw/zinc/59/51/99/331595199.db2.gz IFNCDVNJXKKGMD-UHFFFAOYSA-N 0 1 286.394 3.744 20 0 CHADMN Cc1noc([C@H](C)NC[C@@H](CC(C)C)c2ccccc2)n1 ZINC000475192131 331617008 /nfs/dbraw/zinc/61/70/08/331617008.db2.gz ABHXABITBPFZPT-XJKSGUPXSA-N 0 1 287.407 3.859 20 0 CHADMN C[C@H](NC[C@H](O)C1CCCCC1)c1c(F)cccc1F ZINC000475310442 331624122 /nfs/dbraw/zinc/62/41/22/331624122.db2.gz DJELLASJWZIADN-NHYWBVRUSA-N 0 1 283.362 3.557 20 0 CHADMN CC(C)[C@H](C)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000475623933 331639748 /nfs/dbraw/zinc/63/97/48/331639748.db2.gz ITYSUSVHSLTQJN-JOYOIKCWSA-N 0 1 276.207 3.661 20 0 CHADMN CC(C)[C@@H](C)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000475623930 331639807 /nfs/dbraw/zinc/63/98/07/331639807.db2.gz ITYSUSVHSLTQJN-BXKDBHETSA-N 0 1 276.207 3.661 20 0 CHADMN CCCc1cccc(CNCc2cn3ccc(C)cc3n2)c1 ZINC000479573618 331738173 /nfs/dbraw/zinc/73/81/73/331738173.db2.gz LLGDPKALQQALNE-UHFFFAOYSA-N 0 1 293.414 3.885 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CC=C(C)CC1 ZINC000480070396 331756663 /nfs/dbraw/zinc/75/66/63/331756663.db2.gz TXGLEOAIRYRBJU-UHFFFAOYSA-N 0 1 272.323 3.539 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2ccc(Cl)cn2)c1 ZINC000480272517 331765574 /nfs/dbraw/zinc/76/55/74/331765574.db2.gz CZSADBLBGIJVEN-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN CC[C@@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)N(C)C ZINC000480825551 331789540 /nfs/dbraw/zinc/78/95/40/331789540.db2.gz JODVRTPNPIQHSX-HNNXBMFYSA-N 0 1 296.370 3.865 20 0 CHADMN CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000481911322 331818167 /nfs/dbraw/zinc/81/81/67/331818167.db2.gz RAJIJFMGVIVZKA-LKFCYVNXSA-N 0 1 285.746 3.805 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H]2CCC[C@@H]2C(C)C)no1 ZINC000483305760 331868335 /nfs/dbraw/zinc/86/83/35/331868335.db2.gz GQMKGCPXWATCBA-ZBFHGGJFSA-N 0 1 299.418 3.959 20 0 CHADMN CCCN(CCC)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000483401177 331872688 /nfs/dbraw/zinc/87/26/88/331872688.db2.gz MATTWVROVULFCH-UHFFFAOYSA-N 0 1 291.370 3.806 20 0 CHADMN Fc1ccc2c(c1)nccc2NCC1CC(F)(F)C1 ZINC000488471965 332012230 /nfs/dbraw/zinc/01/22/30/332012230.db2.gz WSKWMKRURLFEAM-UHFFFAOYSA-N 0 1 266.266 3.831 20 0 CHADMN COc1ccccc1[C@H](NC[C@H]1C[C@@H]1C)c1ccco1 ZINC000488522946 332015500 /nfs/dbraw/zinc/01/55/00/332015500.db2.gz WLBQJOLLSSTELB-AHIWAGSCSA-N 0 1 271.360 3.623 20 0 CHADMN Cc1ccoc1CNc1cc(C)nc2ccc(F)cc21 ZINC000488679915 332021499 /nfs/dbraw/zinc/02/14/99/332021499.db2.gz WICPASQXJXPMCB-UHFFFAOYSA-N 0 1 270.307 3.618 20 0 CHADMN CCCN(CC)[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000488789259 332026008 /nfs/dbraw/zinc/02/60/08/332026008.db2.gz DJQWSBCZIOTTLC-ZDUSSCGKSA-N 0 1 273.380 3.838 20 0 CHADMN CCCN(CC)[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000488796946 332026050 /nfs/dbraw/zinc/02/60/50/332026050.db2.gz YUNRMUINIBGMLH-LBPRGKRZSA-N 0 1 291.370 3.977 20 0 CHADMN Cc1ccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)cc1C ZINC000488959836 332035465 /nfs/dbraw/zinc/03/54/65/332035465.db2.gz FUWUCZIWVSTUKA-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@H](C)CC(C)(C)C)n[nH]1 ZINC000489217888 332043578 /nfs/dbraw/zinc/04/35/78/332043578.db2.gz MUKHKCKYPJKXKV-TUAOUCFPSA-N 0 1 294.443 3.568 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CCCC(C)(C)C)n[nH]1 ZINC000489277204 332045036 /nfs/dbraw/zinc/04/50/36/332045036.db2.gz IQPYURKZHXBSIU-NWDGAFQWSA-N 0 1 294.443 3.712 20 0 CHADMN COc1ccc(CN2CCC(C(F)F)CC2)cc1Cl ZINC000489423886 332051308 /nfs/dbraw/zinc/05/13/08/332051308.db2.gz QFNPSAVYZXEEQO-UHFFFAOYSA-N 0 1 289.753 3.826 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN(C)[C@@H]2CC2(C)C)s1 ZINC000489450976 332053648 /nfs/dbraw/zinc/05/36/48/332053648.db2.gz QXUBCRPZAYQCQA-SECBINFHSA-N 0 1 278.343 3.701 20 0 CHADMN CO[C@H](C)c1nc(CN(C)C2(C)CCCC2)cs1 ZINC000489864748 332070758 /nfs/dbraw/zinc/07/07/58/332070758.db2.gz WAWNXWZSSCFIFC-LLVKDONJSA-N 0 1 268.426 3.615 20 0 CHADMN Cc1cccc(CC(=O)Nc2ccc3nc[nH]c3c2)c1Cl ZINC000489990783 332075843 /nfs/dbraw/zinc/07/58/43/332075843.db2.gz JBFMICRPAPPMQH-UHFFFAOYSA-N 0 1 299.761 3.706 20 0 CHADMN CN(Cc1nc(CCc2ccccc2)no1)C1(C)CCCC1 ZINC000490253673 332085635 /nfs/dbraw/zinc/08/56/35/332085635.db2.gz UEAPZEUXEYLVEE-UHFFFAOYSA-N 0 1 299.418 3.619 20 0 CHADMN Cc1nc2c(s1)[C@H](N(C)Cc1ccoc1C)CCC2 ZINC000490425419 332089190 /nfs/dbraw/zinc/08/91/90/332089190.db2.gz XXJMJOCXIIGKTN-CQSZACIVSA-N 0 1 276.405 3.862 20 0 CHADMN Cc1ccoc1CNC/C=C\c1ccc(F)cc1F ZINC000491433727 332210814 /nfs/dbraw/zinc/21/08/14/332210814.db2.gz QOZMRBYXLPMZKB-IHWYPQMZSA-N 0 1 263.287 3.669 20 0 CHADMN O=C(Cc1ccc(Cl)cc1)Nc1cccc(Cl)c1O ZINC000172109131 335095388 /nfs/dbraw/zinc/09/53/88/335095388.db2.gz YEATVTRRTJOHQO-UHFFFAOYSA-N 0 1 296.153 3.880 20 0 CHADMN COc1ccc(CNCc2ccc(SC)s2)c(F)c1 ZINC000575370921 335098726 /nfs/dbraw/zinc/09/87/26/335098726.db2.gz STWFMDXUDJXXQM-UHFFFAOYSA-N 0 1 297.420 3.908 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1cc(C)nc(C)c1 ZINC000575371822 335098825 /nfs/dbraw/zinc/09/88/25/335098825.db2.gz OCJLIDNZLAQTIF-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cccc2[nH]ccc21 ZINC000575408033 335101453 /nfs/dbraw/zinc/10/14/53/335101453.db2.gz UKZNFKIYECVQLF-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN CC(C)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000575413171 335102058 /nfs/dbraw/zinc/10/20/58/335102058.db2.gz ZZRFMQQXDVMUBK-CYBMUJFWSA-N 0 1 295.810 3.906 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C(=O)/C=C\C3CC3)[nH]c2c1 ZINC000491951123 332376883 /nfs/dbraw/zinc/37/68/83/332376883.db2.gz VJFAQFCXZDNRMD-DZFYGRHCSA-N 0 1 295.386 3.501 20 0 CHADMN CCSc1cccc(CNCc2cc(O)cc(F)c2)c1 ZINC000492067806 332381416 /nfs/dbraw/zinc/38/14/16/332381416.db2.gz YMYWEBLPFQETFZ-UHFFFAOYSA-N 0 1 291.391 3.933 20 0 CHADMN Cc1ccsc1[C@@H](C)N[C@@H](C)c1nccs1 ZINC000070732268 333824833 /nfs/dbraw/zinc/82/48/33/333824833.db2.gz HPYFDMPWAODGBF-ZJUUUORDSA-N 0 1 252.408 3.925 20 0 CHADMN CCc1cnc(CN[C@@H](C)[C@H](OC)c2ccccc2)s1 ZINC000493923770 332458327 /nfs/dbraw/zinc/45/83/27/332458327.db2.gz DTZHYNZHTOHGIE-LRDDRELGSA-N 0 1 290.432 3.571 20 0 CHADMN CCc1cnc(CN[C@@H](C)[C@@H](OC)c2ccccc2)s1 ZINC000493923769 332458354 /nfs/dbraw/zinc/45/83/54/332458354.db2.gz DTZHYNZHTOHGIE-BLLLJJGKSA-N 0 1 290.432 3.571 20 0 CHADMN C[C@H]1CSCCN1Cc1cnc(-c2ccccc2)s1 ZINC000172591709 335109749 /nfs/dbraw/zinc/10/97/49/335109749.db2.gz NKCVKJZSJJSAOE-LBPRGKRZSA-N 0 1 290.457 3.747 20 0 CHADMN COc1ccc2ccccc2c1CNCc1cncc(F)c1 ZINC000494607779 332479968 /nfs/dbraw/zinc/47/99/68/332479968.db2.gz GLGRTMLSUUNTMK-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN Clc1cnccc1CN[C@@H]1CCCc2sccc21 ZINC000088781405 334341767 /nfs/dbraw/zinc/34/17/67/334341767.db2.gz CCJYNLZPRMABSL-CYBMUJFWSA-N 0 1 278.808 3.964 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1C[C@@H]2CCC[C@H]2C1 ZINC000247306269 334278756 /nfs/dbraw/zinc/27/87/56/334278756.db2.gz LQSNSQBDSVXOLS-WOPDTQHZSA-N 0 1 289.404 3.591 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2nc(C3CCCC3)no2)[C@@H](C)C1 ZINC000248556510 334305787 /nfs/dbraw/zinc/30/57/87/334305787.db2.gz KWUYXIRVUYKNBC-MBNYWOFBSA-N 0 1 277.412 3.642 20 0 CHADMN C[C@H]1C[C@]1(NCc1cncc(F)c1)c1ccc(Cl)cc1 ZINC000500396633 332606812 /nfs/dbraw/zinc/60/68/12/332606812.db2.gz KHHGSHFXIKRDOF-MEDUHNTESA-N 0 1 290.769 3.899 20 0 CHADMN C=Cn1cc(CN[C@]2(c3cccc(C)c3)C[C@H]2CC)cn1 ZINC000500513770 332611941 /nfs/dbraw/zinc/61/19/41/332611941.db2.gz OGASHPRPTXPHGT-SJLPKXTDSA-N 0 1 281.403 3.707 20 0 CHADMN C[C@@H](NC/C=C\c1ccccc1)c1nc2c(s1)CCC2 ZINC000502043618 332646429 /nfs/dbraw/zinc/64/64/29/332646429.db2.gz RCWKNBAUEGDFJO-OYVUYXNMSA-N 0 1 284.428 3.996 20 0 CHADMN CC[C@H]1C[C@@]1(NCc1cnoc1C)c1cccc(C)c1 ZINC000502591121 332666770 /nfs/dbraw/zinc/66/67/70/332666770.db2.gz KMPPMYBBYCENJM-RDJZCZTQSA-N 0 1 270.376 3.706 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000336716436 335114915 /nfs/dbraw/zinc/11/49/15/335114915.db2.gz PGAZVQFZZCSKGI-ZVZYQTTQSA-N 0 1 298.430 3.902 20 0 CHADMN CC[C@@H]1CN(Cc2cc(C)on2)CC[C@@H]1c1ccccc1 ZINC000174888640 333010025 /nfs/dbraw/zinc/01/00/25/333010025.db2.gz MXEFZUHGQCMNKC-QAPCUYQASA-N 0 1 284.403 3.999 20 0 CHADMN Cc1n[nH]c(C)c1CN1CCc2ccc(C(C)(C)C)cc2C1 ZINC000513359401 333015396 /nfs/dbraw/zinc/01/53/96/333015396.db2.gz VUCQWCPWBGBIGJ-UHFFFAOYSA-N 0 1 297.446 3.882 20 0 CHADMN CC(C)C[C@@H]1CCN(CC(=O)c2c[nH]c3ccccc23)C1 ZINC000307778064 333016567 /nfs/dbraw/zinc/01/65/67/333016567.db2.gz IPEPPLOMNKPMDD-AWEZNQCLSA-N 0 1 284.403 3.719 20 0 CHADMN CCC[N@H+](Cc1cccc(F)c1F)C[C@@H]1CCCCO1 ZINC000513506646 333023463 /nfs/dbraw/zinc/02/34/63/333023463.db2.gz AWJBFVFHLISRLC-AWEZNQCLSA-N 0 1 283.362 3.746 20 0 CHADMN CCCN(Cc1cccc(F)c1F)C[C@@H]1CCCCO1 ZINC000513506646 333023464 /nfs/dbraw/zinc/02/34/64/333023464.db2.gz AWJBFVFHLISRLC-AWEZNQCLSA-N 0 1 283.362 3.746 20 0 CHADMN COc1cccc([C@@H](C)N(C)Cc2ccc(C)o2)c1 ZINC000175525282 333026284 /nfs/dbraw/zinc/02/62/84/333026284.db2.gz JUVQSTNEXUOUMZ-CYBMUJFWSA-N 0 1 259.349 3.790 20 0 CHADMN Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@H](CC(=O)[O-])C2)c(C)c1 ZINC000086756923 333026941 /nfs/dbraw/zinc/02/69/41/333026941.db2.gz KRZJLRYDZUBYTE-JKSUJKDBSA-N 0 1 289.419 3.860 20 0 CHADMN COc1cccc(CN2CCc3ccccc3[C@@H]2C)c1OC ZINC000513684888 333032352 /nfs/dbraw/zinc/03/23/52/333032352.db2.gz VXJXKWKRASSCLB-AWEZNQCLSA-N 0 1 297.398 3.823 20 0 CHADMN Cc1cccn2c(CN3CCc4ccccc4[C@@H]3C)cnc12 ZINC000513691181 333032758 /nfs/dbraw/zinc/03/27/58/333032758.db2.gz SCSSBBPLVSXUAM-HNNXBMFYSA-N 0 1 291.398 3.762 20 0 CHADMN Fc1ccc2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1 ZINC000513868045 333044834 /nfs/dbraw/zinc/04/48/34/333044834.db2.gz PJSDSHHDLMDMDO-UHFFFAOYSA-N 0 1 292.317 3.614 20 0 CHADMN CC(C)(CF)NCc1ccc(C(F)(F)F)s1 ZINC000309691651 333047477 /nfs/dbraw/zinc/04/74/77/333047477.db2.gz PZSNCZRAMXSQQR-UHFFFAOYSA-N 0 1 255.280 3.605 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1[C@H](C)CC[C@@H]1C ZINC000177099083 333053318 /nfs/dbraw/zinc/05/33/18/333053318.db2.gz OKZVZZOPWYADDY-BETUJISGSA-N 0 1 275.392 3.661 20 0 CHADMN Cc1ccoc1CNCc1ccc(C)c(Br)c1 ZINC000310487190 333058897 /nfs/dbraw/zinc/05/88/97/333058897.db2.gz GHKKIGWVVZRQFT-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@](C)(O)C1 ZINC000178008056 333066521 /nfs/dbraw/zinc/06/65/21/333066521.db2.gz QOWVVJJNLGPTEE-NOZJJQNGSA-N 0 1 274.191 3.511 20 0 CHADMN Cc1ccc(CN(C)Cc2cc3ccccc3o2)o1 ZINC000178509204 333074520 /nfs/dbraw/zinc/07/45/20/333074520.db2.gz FQZYPMYAUHHWMJ-UHFFFAOYSA-N 0 1 255.317 3.966 20 0 CHADMN c1nc(C2CC2)sc1CN1CC(C2CCCC2)C1 ZINC000516734446 333081497 /nfs/dbraw/zinc/08/14/97/333081497.db2.gz SOPJIQJZZBVWCC-UHFFFAOYSA-N 0 1 262.422 3.643 20 0 CHADMN CC(=O)[C@H](Sc1n[nH]c(CCC2CCCC2)n1)C(C)C ZINC000516768728 333082251 /nfs/dbraw/zinc/08/22/51/333082251.db2.gz TUDUZELZBTWENN-CQSZACIVSA-N 0 1 295.452 3.633 20 0 CHADMN CC(=O)[C@H](Sc1nc(CCC2CCCC2)n[nH]1)C(C)C ZINC000516768728 333082252 /nfs/dbraw/zinc/08/22/52/333082252.db2.gz TUDUZELZBTWENN-CQSZACIVSA-N 0 1 295.452 3.633 20 0 CHADMN Cc1cccc(CCN(C)Cc2nc3ccccc3s2)n1 ZINC000516924180 333086453 /nfs/dbraw/zinc/08/64/53/333086453.db2.gz IFVCPPCXRNOGBT-UHFFFAOYSA-N 0 1 297.427 3.674 20 0 CHADMN Cc1cc(-c2noc(C[C@@H]3CC[C@H]4C[C@H]43)n2)cc2nc[nH]c21 ZINC000516934518 333086764 /nfs/dbraw/zinc/08/67/64/333086764.db2.gz ZYXMZCLIOAXONU-GMXVVIOVSA-N 0 1 294.358 3.510 20 0 CHADMN CC(C)CC[C@@H]1CCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000516975546 333088502 /nfs/dbraw/zinc/08/85/02/333088502.db2.gz AWTIYWFZBZIQKT-INIZCTEOSA-N 0 1 289.419 3.828 20 0 CHADMN CC(C)CCC[N@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000517042057 333090709 /nfs/dbraw/zinc/09/07/09/333090709.db2.gz KKXUQVYKEVDFJY-HOTGVXAUSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)C[N@@H+](Cc1c(Cl)cccc1C(=O)[O-])C(C)C ZINC000517382400 333098368 /nfs/dbraw/zinc/09/83/68/333098368.db2.gz XINWBGKRHICVJY-UHFFFAOYSA-N 0 1 283.799 3.905 20 0 CHADMN C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cnc(C3CC3)s2)C1 ZINC000517483165 333100397 /nfs/dbraw/zinc/10/03/97/333100397.db2.gz VHRFZUGWWUKRHQ-ZYHUDNBSSA-N 0 1 250.411 3.641 20 0 CHADMN COc1cc(C)ccc1CN1CCC[C@@H]1c1ccccn1 ZINC000517500168 333100782 /nfs/dbraw/zinc/10/07/82/333100782.db2.gz DQOAOHFDAXAKMF-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000182811910 333117673 /nfs/dbraw/zinc/11/76/73/333117673.db2.gz FAIXBONGPZERFC-IFXJQAMLSA-N 0 1 299.389 3.901 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000217990373 333125476 /nfs/dbraw/zinc/12/54/76/333125476.db2.gz XDOMRYDHWLBXEU-TZMCWYRMSA-N 0 1 285.343 3.528 20 0 CHADMN CC[C@H]1[C@H](C)CCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000185457655 333141059 /nfs/dbraw/zinc/14/10/59/333141059.db2.gz VIKNKKIOXCIOPR-WBMJQRKESA-N 0 1 289.423 3.718 20 0 CHADMN Cc1ccc(CNC(C)(C)c2nc3ccccc3n2C)s1 ZINC000185639532 333145781 /nfs/dbraw/zinc/14/57/81/333145781.db2.gz RDPSKUIUMRQMEW-UHFFFAOYSA-N 0 1 299.443 3.968 20 0 CHADMN Cc1csc([C@H](C)NCc2cccc3cc[nH]c32)n1 ZINC000219456270 333150261 /nfs/dbraw/zinc/15/02/61/333150261.db2.gz VUCHMVIMKKQYCS-NSHDSACASA-N 0 1 271.389 3.784 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1cc(F)cc(F)c1 ZINC000186095750 333154671 /nfs/dbraw/zinc/15/46/71/333154671.db2.gz MGFZEDXEQQYACN-SECBINFHSA-N 0 1 283.343 3.886 20 0 CHADMN COc1ccsc1[C@H](C)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000186136435 333155568 /nfs/dbraw/zinc/15/55/68/333155568.db2.gz NKSUDBKZIOQRHZ-KBPBESRZSA-N 0 1 296.480 3.528 20 0 CHADMN CC(C)C[C@@H]1OCCC[C@@H]1NCc1nc2ccccc2o1 ZINC000186347784 333158856 /nfs/dbraw/zinc/15/88/56/333158856.db2.gz WYIVGHAFUGLLMD-BBRMVZONSA-N 0 1 288.391 3.511 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C(C)C)C3CC3)n[nH]2)cc1C ZINC000186572983 333163058 /nfs/dbraw/zinc/16/30/58/333163058.db2.gz ZVLHILGHIZTAGO-UHFFFAOYSA-N 0 1 297.402 3.707 20 0 CHADMN Fc1ccccc1CC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000186594664 333163325 /nfs/dbraw/zinc/16/33/25/333163325.db2.gz GFZQCWVXXZYFPP-LBPRGKRZSA-N 0 1 275.289 3.643 20 0 CHADMN Fc1ccccc1CCN1CCC[C@H](C(F)(F)F)C1 ZINC000186594664 333163326 /nfs/dbraw/zinc/16/33/26/333163326.db2.gz GFZQCWVXXZYFPP-LBPRGKRZSA-N 0 1 275.289 3.643 20 0 CHADMN CC1(C)CC[C@H](C[N@H+]2CCC[C@@H]2c2cccc(F)c2)O1 ZINC000186711026 333164510 /nfs/dbraw/zinc/16/45/10/333164510.db2.gz ORQDRFGATFMMNR-HZPDHXFCSA-N 0 1 277.383 3.920 20 0 CHADMN COc1ccc(F)cc1CN[C@@H](C)c1cccc(C)c1 ZINC000187449987 333171172 /nfs/dbraw/zinc/17/11/72/333171172.db2.gz YEZAFRNXUDIFIP-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN CCSc1ccccc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000521580157 333179016 /nfs/dbraw/zinc/17/90/16/333179016.db2.gz ACVUMMLIKHHWAV-UHFFFAOYSA-N 0 1 297.383 3.927 20 0 CHADMN Cc1nnsc1CN[C@H](C)c1ccc(C2CC2)cc1 ZINC000575872079 335126717 /nfs/dbraw/zinc/12/67/17/335126717.db2.gz FCNGKNQBLODAOO-SNVBAGLBSA-N 0 1 273.405 3.575 20 0 CHADMN c1ccc(Oc2ccccc2CN2CCCOCC2)cc1 ZINC000521817887 333189670 /nfs/dbraw/zinc/18/96/70/333189670.db2.gz ZSLSXTJPMLQMAG-UHFFFAOYSA-N 0 1 283.371 3.701 20 0 CHADMN Cc1n[nH]cc1CNCc1ccc(-c2ccccc2)c(C)c1 ZINC000189508435 333193949 /nfs/dbraw/zinc/19/39/49/333193949.db2.gz WKSAYDQDPUQVOA-UHFFFAOYSA-N 0 1 291.398 3.983 20 0 CHADMN C[C@H](N[C@@H](C)c1cc2ccccc2o1)c1cn[nH]c1 ZINC000222490097 333194781 /nfs/dbraw/zinc/19/47/81/333194781.db2.gz VATKGBLIKZIZKJ-QWRGUYRKSA-N 0 1 255.321 3.568 20 0 CHADMN Cc1[nH]c(SCc2ccno2)nc1Cc1ccccc1 ZINC000521906995 333198259 /nfs/dbraw/zinc/19/82/59/333198259.db2.gz GEPFBCXTOYMFTC-UHFFFAOYSA-N 0 1 285.372 3.589 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cncc(F)c2)cc1 ZINC000222917753 333202121 /nfs/dbraw/zinc/20/21/21/333202121.db2.gz NGGVSBQGGXVVKE-NEPJUHHUSA-N 0 1 274.339 3.641 20 0 CHADMN C(c1nc(C2CC2)no1)[N@H+]1CCCC2(CCCCC2)CC1 ZINC000190321458 333205395 /nfs/dbraw/zinc/20/53/95/333205395.db2.gz GEOSKMODECKVFF-UHFFFAOYSA-N 0 1 289.423 3.883 20 0 CHADMN C(c1nc(C2CC2)no1)N1CCCC2(CCCCC2)CC1 ZINC000190321458 333205396 /nfs/dbraw/zinc/20/53/96/333205396.db2.gz GEOSKMODECKVFF-UHFFFAOYSA-N 0 1 289.423 3.883 20 0 CHADMN Cc1ccc2nc(SC[C@H]3CC[C@@H](C)O3)[nH]c2c1 ZINC000190967007 333212771 /nfs/dbraw/zinc/21/27/71/333212771.db2.gz PJDIASRPWRCIOZ-GHMZBOCLSA-N 0 1 262.378 3.531 20 0 CHADMN FC(F)(F)CCN(Cc1ccccc1)CC1=CCCOC1 ZINC000191782558 333225068 /nfs/dbraw/zinc/22/50/68/333225068.db2.gz GPSRLFQSICHPOL-UHFFFAOYSA-N 0 1 299.336 3.788 20 0 CHADMN Cc1ccc(C[C@H](C)[N@@H+](C)CCCCCC(=O)[O-])cc1 ZINC000522009127 333229982 /nfs/dbraw/zinc/22/99/82/333229982.db2.gz YVEBNFYZJBTHSZ-HNNXBMFYSA-N 0 1 277.408 3.503 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCS[C@@H](C)CC1 ZINC000192180894 333231768 /nfs/dbraw/zinc/23/17/68/333231768.db2.gz WQGREWLOAGYLMW-QWRGUYRKSA-N 0 1 271.376 3.853 20 0 CHADMN CC(C)(C)c1n[nH]c(SCCCOc2ccccc2)n1 ZINC000192642751 333237399 /nfs/dbraw/zinc/23/73/99/333237399.db2.gz SYQGOYNPMIMHCR-UHFFFAOYSA-N 0 1 291.420 3.663 20 0 CHADMN CC(C)(C)c1nc(SCCCOc2ccccc2)n[nH]1 ZINC000192642751 333237401 /nfs/dbraw/zinc/23/74/01/333237401.db2.gz SYQGOYNPMIMHCR-UHFFFAOYSA-N 0 1 291.420 3.663 20 0 CHADMN CCC(CC)[C@@H](O)CNCc1c(Cl)cccc1Cl ZINC000225819277 333241173 /nfs/dbraw/zinc/24/11/73/333241173.db2.gz YZMBAHQMNLBUSH-AWEZNQCLSA-N 0 1 290.234 3.880 20 0 CHADMN CCN(Cc1cccc(Cl)c1Cl)C[C@@H](C)OC ZINC000575897502 335129115 /nfs/dbraw/zinc/12/91/15/335129115.db2.gz VRYRFIHGFBISMQ-SNVBAGLBSA-N 0 1 276.207 3.850 20 0 CHADMN CC(=O)Nc1cccc(CNCc2cc(Cl)cs2)c1 ZINC000193004689 333241377 /nfs/dbraw/zinc/24/13/77/333241377.db2.gz GWIICHDCIIEOFD-UHFFFAOYSA-N 0 1 294.807 3.650 20 0 CHADMN C[C@H](NCc1cc(Cl)cs1)C(=O)Nc1ccccc1 ZINC000193100007 333242510 /nfs/dbraw/zinc/24/25/10/333242510.db2.gz HPLWCWKVIWVBHM-JTQLQIEISA-N 0 1 294.807 3.518 20 0 CHADMN C[C@@H](N[C@H]1COCc2ccccc21)c1cccc(F)c1 ZINC000225981034 333244235 /nfs/dbraw/zinc/24/42/35/333244235.db2.gz DAFSDUOYCBVISU-PXAZEXFGSA-N 0 1 271.335 3.748 20 0 CHADMN c1cc2c(s1)CCC[C@@H]2N[C@@H]1COCc2ccccc21 ZINC000225998521 333244954 /nfs/dbraw/zinc/24/49/54/333244954.db2.gz OCCATRBUSGTUEL-JKSUJKDBSA-N 0 1 285.412 3.987 20 0 CHADMN CC[C@H](C)[N@@H+](C)Cc1cnc(-c2ccco2)s1 ZINC000194331977 333269106 /nfs/dbraw/zinc/26/91/06/333269106.db2.gz LWMODUQBEBVWRR-JTQLQIEISA-N 0 1 250.367 3.633 20 0 CHADMN Cc1ccc2nc(CNC(=O)[C@H]3CCCCC3(C)C)[nH]c2c1 ZINC000194363525 333270107 /nfs/dbraw/zinc/27/01/07/333270107.db2.gz GOPVDXXPGMURCL-CYBMUJFWSA-N 0 1 299.418 3.704 20 0 CHADMN C[C@H](CCc1ccccc1)N(C)Cc1cscn1 ZINC000194424455 333271206 /nfs/dbraw/zinc/27/12/06/333271206.db2.gz KESZBFVPZBUIEI-CYBMUJFWSA-N 0 1 260.406 3.596 20 0 CHADMN C[C@H](NCc1ccccc1N1CCCCC1)c1cccnc1 ZINC000194890397 333278662 /nfs/dbraw/zinc/27/86/62/333278662.db2.gz DBWWUPPHIHUVQR-INIZCTEOSA-N 0 1 295.430 3.923 20 0 CHADMN Cc1ccc(CCC(=O)Nc2cccc(Cl)c2O)cc1 ZINC000522313531 333282351 /nfs/dbraw/zinc/28/23/51/333282351.db2.gz JWLATNMPBMYDIL-UHFFFAOYSA-N 0 1 289.762 3.925 20 0 CHADMN Clc1ncc(CN2CCC[C@H]3CCC[C@H]32)s1 ZINC000227487298 333283419 /nfs/dbraw/zinc/28/34/19/333283419.db2.gz PUAGJNQYPFRTGO-MWLCHTKSSA-N 0 1 256.802 3.561 20 0 CHADMN CCCCc1noc(CN(C(CC)CC)C2CC2)n1 ZINC000522472590 333287719 /nfs/dbraw/zinc/28/77/19/333287719.db2.gz ZOOXYYHEVXIFPW-UHFFFAOYSA-N 0 1 265.401 3.565 20 0 CHADMN CC(C)n1ccc(CN2CC[C@@H](C)[C@H]3CCCC[C@H]32)n1 ZINC000522664309 333295589 /nfs/dbraw/zinc/29/55/89/333295589.db2.gz NEZAVQCOYTXHKW-DJIMGWMZSA-N 0 1 275.440 3.865 20 0 CHADMN COc1ccc(CNCc2ccc(Cl)cc2)c(F)c1 ZINC000229742248 333308925 /nfs/dbraw/zinc/30/89/25/333308925.db2.gz WWOUPKIOOZXRLU-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN CCCCCOc1ccc(CN[C@H](C)c2cn[nH]c2)cc1 ZINC000229883075 333310685 /nfs/dbraw/zinc/31/06/85/333310685.db2.gz ASACXYBCKPCZRS-CQSZACIVSA-N 0 1 287.407 3.830 20 0 CHADMN Fc1cncc(CNCc2ccc(C(F)(F)F)cc2)c1 ZINC000230938409 333322957 /nfs/dbraw/zinc/32/29/57/333322957.db2.gz LYGCRYMYBGEIHC-UHFFFAOYSA-N 0 1 284.256 3.529 20 0 CHADMN C[C@H](NC1c2ccccc2-c2ccccc21)c1cn[nH]c1 ZINC000231043698 333323980 /nfs/dbraw/zinc/32/39/80/333323980.db2.gz LJIOVVZFKLDCGO-LBPRGKRZSA-N 0 1 275.355 3.830 20 0 CHADMN Brc1ccsc1CN[C@@H]1C=CCCC1 ZINC000231380521 333324762 /nfs/dbraw/zinc/32/47/62/333324762.db2.gz RGZIQUFUWZADRO-SECBINFHSA-N 0 1 272.211 3.709 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@H](C)c1nc2ccccc2n1C ZINC000231790962 333329688 /nfs/dbraw/zinc/32/96/88/333329688.db2.gz HVNLLOMFIZZCQQ-NXEZZACHSA-N 0 1 285.313 3.565 20 0 CHADMN CC(C)Oc1ccccc1C[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000575941620 335134024 /nfs/dbraw/zinc/13/40/24/335134024.db2.gz ZDEXAUIEOWNAKX-SFHVURJKSA-N 0 1 291.435 3.721 20 0 CHADMN C[N@@H+](Cc1cccc(F)c1F)[C@H]1CCc2ccccc2C1 ZINC000303540594 333343664 /nfs/dbraw/zinc/34/36/64/333343664.db2.gz HTHNQPYPXITTOM-INIZCTEOSA-N 0 1 287.353 3.954 20 0 CHADMN CN1CCN(Cc2cccc(Cl)c2)Cc2ccccc21 ZINC000524361931 333360848 /nfs/dbraw/zinc/36/08/48/333360848.db2.gz ZOVBPPPYBROPIS-UHFFFAOYSA-N 0 1 286.806 3.792 20 0 CHADMN COc1ccc(Br)c(CNCC=C(C)C)c1 ZINC000234818015 333362363 /nfs/dbraw/zinc/36/23/63/333362363.db2.gz STEUYZUYMMGAGG-UHFFFAOYSA-N 0 1 284.197 3.514 20 0 CHADMN CCN(CC(=O)Nc1c(C)cccc1C(C)C)C1CCC1 ZINC000524595832 333367865 /nfs/dbraw/zinc/36/78/65/333367865.db2.gz VKXRSAGEKHPXGD-UHFFFAOYSA-N 0 1 288.435 3.931 20 0 CHADMN C[C@H](C(=O)OC(C)(C)C)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000524595407 333367870 /nfs/dbraw/zinc/36/78/70/333367870.db2.gz JXNLMHMEDZOPMT-IIAWOOMASA-N 0 1 289.419 3.595 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2csc(C(C)(C)C)n2)C1 ZINC000524620983 333369128 /nfs/dbraw/zinc/36/91/28/333369128.db2.gz PUMGMZGWJZVKLO-GHMZBOCLSA-N 0 1 252.427 3.671 20 0 CHADMN Cc1ccccc1CNc1[nH]c2ccc(F)cc2[nH+]1 ZINC000235777567 333372173 /nfs/dbraw/zinc/37/21/73/333372173.db2.gz MUTWLBWYFMDSPD-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN NC1(c2noc(-c3ccc(Cl)c(F)c3)n2)CCCCC1 ZINC000236175362 333373228 /nfs/dbraw/zinc/37/32/28/333373228.db2.gz ROHYZKFCDIZYHZ-UHFFFAOYSA-N 0 1 295.745 3.647 20 0 CHADMN CC[C@H](O)[C@@H]1CCCCN1Cc1ccc(F)cc1Cl ZINC000524856550 333391014 /nfs/dbraw/zinc/39/10/14/333391014.db2.gz RHGGBVDFBZDPLD-GJZGRUSLSA-N 0 1 285.790 3.605 20 0 CHADMN C/C(Cl)=C\CN1CCC(O)(c2cccc(C)c2C)CC1 ZINC000528386634 333433079 /nfs/dbraw/zinc/43/30/79/333433079.db2.gz CSJNIYTYUARFMR-VGOFMYFVSA-N 0 1 293.838 3.729 20 0 CHADMN COc1cc([C@@H](C)NC/C=C(\C)Cl)cc(OC)c1OC ZINC000528435992 333437383 /nfs/dbraw/zinc/43/73/83/333437383.db2.gz XFBPQKUQJCILHG-CDCCAWJDSA-N 0 1 299.798 3.506 20 0 CHADMN C/C(Cl)=C\CN1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000528492496 333441512 /nfs/dbraw/zinc/44/15/12/333441512.db2.gz ZEZVCELYUBCCLI-GIDUJCDVSA-N 0 1 293.838 3.507 20 0 CHADMN Cc1nocc1CN[C@@H](C)c1ccccc1C(F)(F)F ZINC000339205711 335142458 /nfs/dbraw/zinc/14/24/58/335142458.db2.gz NJIIHZPWIXJPIK-JTQLQIEISA-N 0 1 284.281 3.853 20 0 CHADMN COc1c(O)cccc1CNCc1ccccc1CC(C)C ZINC000529637446 333502418 /nfs/dbraw/zinc/50/24/18/333502418.db2.gz ADCDSJOKHBWGPT-UHFFFAOYSA-N 0 1 299.414 3.889 20 0 CHADMN CC[C@@](C)(NC[C@@H]1CCC2(CCCC2)O1)c1nccs1 ZINC000530358591 333544285 /nfs/dbraw/zinc/54/42/85/333544285.db2.gz ZGZAVVUIKYIDLU-DZGCQCFKSA-N 0 1 294.464 3.850 20 0 CHADMN Fc1cccnc1CN[C@H](CC1CC1)c1ccccc1 ZINC000530419238 333546978 /nfs/dbraw/zinc/54/69/78/333546978.db2.gz ZIIIZTNDUUNBEH-MRXNPFEDSA-N 0 1 270.351 3.852 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@H](CO)c2cccc(F)c2)c1 ZINC000537982887 333553633 /nfs/dbraw/zinc/55/36/33/333553633.db2.gz PQFUHFYHYDLDEU-KBXCAEBGSA-N 0 1 287.378 3.827 20 0 CHADMN CC(C)CCOCCNCc1cccc(Cl)c1F ZINC000125130397 333564238 /nfs/dbraw/zinc/56/42/38/333564238.db2.gz MPELGLLABBBTIF-UHFFFAOYSA-N 0 1 273.779 3.631 20 0 CHADMN Cc1ccccc1CCN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000125541626 333567709 /nfs/dbraw/zinc/56/77/09/333567709.db2.gz CIFNUQQZCBGFNC-SFHVURJKSA-N 0 1 291.398 3.640 20 0 CHADMN CC(C)c1noc([C@H](C)N[C@@H](C)C2CCCCC2)n1 ZINC000174140033 335148709 /nfs/dbraw/zinc/14/87/09/335148709.db2.gz OXWNZJCFJUFZCY-RYUDHWBXSA-N 0 1 265.401 3.812 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc(C(C)(C)C)no1)C1CCCCC1 ZINC000174142506 335148842 /nfs/dbraw/zinc/14/88/42/335148842.db2.gz OLYMYYCJWILBSJ-NEPJUHHUSA-N 0 1 279.428 3.987 20 0 CHADMN C[C@@H](N[C@H](C)C1CCCCC1)c1nc(C(C)(C)C)no1 ZINC000174142522 335148973 /nfs/dbraw/zinc/14/89/73/335148973.db2.gz OLYMYYCJWILBSJ-VXGBXAGGSA-N 0 1 279.428 3.987 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H](CO)c2cccc(F)c2)c1C ZINC000539084004 333656365 /nfs/dbraw/zinc/65/63/65/333656365.db2.gz CKTVNZAFXDITRP-KSSFIOAISA-N 0 1 287.378 3.827 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H](C)C(C)(C)C)no1 ZINC000128834161 333718398 /nfs/dbraw/zinc/71/83/98/333718398.db2.gz QNDLVXNZQPUUAH-GFCCVEGCSA-N 0 1 273.380 3.569 20 0 CHADMN COC[C@@H](N[C@@H]1CCc2ccccc21)c1ccc(F)cc1 ZINC000540186038 333719324 /nfs/dbraw/zinc/71/93/24/333719324.db2.gz JHCNPAKWDPSHIM-QZTJIDSGSA-N 0 1 285.362 3.790 20 0 CHADMN CCC[C@H](NCc1nc([C@H](C)OC)no1)C1CCCCC1 ZINC000540590631 333735947 /nfs/dbraw/zinc/73/59/47/333735947.db2.gz PNOYOFCNAZDPAF-JSGCOSHPSA-N 0 1 295.427 3.616 20 0 CHADMN CCC[C@@H](NCc1nc([C@H](C)OC)no1)C1CCCCC1 ZINC000540590629 333736074 /nfs/dbraw/zinc/73/60/74/333736074.db2.gz PNOYOFCNAZDPAF-GXTWGEPZSA-N 0 1 295.427 3.616 20 0 CHADMN c1ccc(CC2(NCc3nnc(C4CC4)o3)CCCC2)cc1 ZINC000541700698 333787541 /nfs/dbraw/zinc/78/75/41/333787541.db2.gz YEAMCAKGDZWGJR-UHFFFAOYSA-N 0 1 297.402 3.592 20 0 CHADMN CC[C@@H](N[C@H]1CCc2c1cccc2Cl)c1ccn(C)n1 ZINC000541743038 333789275 /nfs/dbraw/zinc/78/92/75/333789275.db2.gz BHXLASVPGABIFK-CABCVRRESA-N 0 1 289.810 3.802 20 0 CHADMN C[C@@H]1CCN(C(=O)c2c(O)cccc2F)[C@H]2CCCC[C@@H]12 ZINC000541861825 333795101 /nfs/dbraw/zinc/79/51/01/333795101.db2.gz VTRHMWDAIWHHRL-DYEKYZERSA-N 0 1 291.366 3.572 20 0 CHADMN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCc1nnsc1Cl ZINC000542776271 333840097 /nfs/dbraw/zinc/84/00/97/333840097.db2.gz NDKOBJSQYYAKKJ-OUAUKWLOSA-N 0 1 287.860 3.742 20 0 CHADMN C[C@H](NCc1ncc(C2CC2)o1)[C@@H](C)c1ccccc1 ZINC000543468931 333876860 /nfs/dbraw/zinc/87/68/60/333876860.db2.gz FMJAIPHAHGTMBV-OLZOCXBDSA-N 0 1 270.376 3.834 20 0 CHADMN CCc1ccc(-c2noc([C@@H](C)NCCC(C)C)n2)cc1 ZINC000544518504 333934230 /nfs/dbraw/zinc/93/42/30/333934230.db2.gz YNRNHCYTJJLZQX-CYBMUJFWSA-N 0 1 287.407 3.996 20 0 CHADMN Cc1nnc(CN[C@H]2C[C@H](c3ccccc3)C2(C)C)s1 ZINC000545920229 334006016 /nfs/dbraw/zinc/00/60/16/334006016.db2.gz GBQFBZSWIOICHU-KGLIPLIRSA-N 0 1 287.432 3.518 20 0 CHADMN CC/C=C/CCN1CCO[C@@H](c2ccccc2C)C1 ZINC000545937709 334007683 /nfs/dbraw/zinc/00/76/83/334007683.db2.gz XICODBUXKHEMSU-LAQIPUCWSA-N 0 1 259.393 3.725 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@H](CO)C2CCCCC2)cs1 ZINC000545985427 334010695 /nfs/dbraw/zinc/01/06/95/334010695.db2.gz TZJZBLSKFOYXBF-TZMCWYRMSA-N 0 1 296.480 3.858 20 0 CHADMN CCc1noc(C)c1NC(=O)c1cc(C(CC)CC)no1 ZINC000133236439 334029385 /nfs/dbraw/zinc/02/93/85/334029385.db2.gz ACIXGFOLQUBHIW-UHFFFAOYSA-N 0 1 291.351 3.689 20 0 CHADMN Cc1cc(-c2noc([C@H]3CC=CCC3)n2)cc2nc[nH]c21 ZINC000546443502 334032953 /nfs/dbraw/zinc/03/29/53/334032953.db2.gz LDZNDFPIDQQLOO-NSHDSACASA-N 0 1 280.331 3.745 20 0 CHADMN C[C@H](NC(=O)CN(C)C1CCC1)c1cccc2ccccc21 ZINC000075841917 334054427 /nfs/dbraw/zinc/05/44/27/334054427.db2.gz UUUPFCJUDMRSMS-AWEZNQCLSA-N 0 1 296.414 3.501 20 0 CHADMN CC[C@]1(C)CCCN(Cc2cc(F)cc3c2OCOC3)C1 ZINC000075999174 334065673 /nfs/dbraw/zinc/06/56/73/334065673.db2.gz NMFSTNNXJZKPMA-QGZVFWFLSA-N 0 1 293.382 3.704 20 0 CHADMN CC1(C)CCN(Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000076014898 334066415 /nfs/dbraw/zinc/06/64/15/334066415.db2.gz NSRQKMGIDJVFQB-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN CCC(CC)Cc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000547145890 334069197 /nfs/dbraw/zinc/06/91/97/334069197.db2.gz UPTZWMFIXGTSIX-UHFFFAOYSA-N 0 1 284.363 3.900 20 0 CHADMN C[C@H](NC(C)(C)c1cnn(C)c1)c1ccccc1Cl ZINC000547413336 334086655 /nfs/dbraw/zinc/08/66/55/334086655.db2.gz LPHZGPJACPMBOY-NSHDSACASA-N 0 1 277.799 3.659 20 0 CHADMN COc1cccc2cc([C@@H](C)NCc3ccoc3)oc21 ZINC000134283474 334086789 /nfs/dbraw/zinc/08/67/89/334086789.db2.gz GBTJWCAWUJNWQE-LLVKDONJSA-N 0 1 271.316 3.885 20 0 CHADMN COc1ccsc1[C@H](C)N[C@H](C)c1cnn(C(C)C)c1 ZINC000547432994 334087826 /nfs/dbraw/zinc/08/78/26/334087826.db2.gz KYIHBMZIRDNXQT-NEPJUHHUSA-N 0 1 293.436 3.946 20 0 CHADMN C[C@H](CC(=O)Nc1cc(F)cc(Cl)c1O)n1cccc1 ZINC000547458278 334089961 /nfs/dbraw/zinc/08/99/61/334089961.db2.gz QMYSETJBTMKHJH-SECBINFHSA-N 0 1 296.729 3.576 20 0 CHADMN CC(C)C[N@@H+](Cc1nc(-c2ccoc2)no1)CC(C)(C)C ZINC000134449573 334091048 /nfs/dbraw/zinc/09/10/48/334091048.db2.gz MOTRRCJIKAGYNK-UHFFFAOYSA-N 0 1 291.395 3.834 20 0 CHADMN CCCC[C@@H](CCC)CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000134490495 334092126 /nfs/dbraw/zinc/09/21/26/334092126.db2.gz LYXWBJYVDBJWSN-ZIAGYGMSSA-N 0 1 291.439 3.552 20 0 CHADMN CCCC[C@@H](CCC)CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000134490541 334092199 /nfs/dbraw/zinc/09/21/99/334092199.db2.gz LYXWBJYVDBJWSN-KGLIPLIRSA-N 0 1 291.439 3.552 20 0 CHADMN CC1(C)CCC[N@H+]1Cc1coc(-c2cccc(F)c2)n1 ZINC000077483461 334106309 /nfs/dbraw/zinc/10/63/09/334106309.db2.gz BXCLCTBMCLOGTI-UHFFFAOYSA-N 0 1 274.339 3.855 20 0 CHADMN Fc1ccc(/C=C/CN2CCCc3occc3C2)cc1 ZINC000564330314 334115501 /nfs/dbraw/zinc/11/55/01/334115501.db2.gz NRJJFLRRBSRHJB-HNQUOIGGSA-N 0 1 271.335 3.880 20 0 CHADMN c1csc(-c2nc(CN[C@@H]3[C@@H]4CCC[C@@H]43)cs2)c1 ZINC000576241805 335177113 /nfs/dbraw/zinc/17/71/13/335177113.db2.gz FOOXRTUSNSQZFG-PTEHBNRSSA-N 0 1 276.430 3.760 20 0 CHADMN CCC[C@H]1CCCC[C@H]1NCc1nc(C(C)(C)C)no1 ZINC000547832746 334124901 /nfs/dbraw/zinc/12/49/01/334124901.db2.gz UPXIGOLKHUKXRO-QWHCGFSZSA-N 0 1 279.428 3.816 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](NCc1ccc(CO)o1)CC2 ZINC000547972090 334132481 /nfs/dbraw/zinc/13/24/81/334132481.db2.gz YNKDSYWLZWQRSB-GOSISDBHSA-N 0 1 285.387 3.672 20 0 CHADMN Cc1ccc([O-])c(C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n1 ZINC000078640661 334138249 /nfs/dbraw/zinc/13/82/49/334138249.db2.gz BZTUZWNYLJREDK-BPLDGKMQSA-N 0 1 276.424 3.646 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(Cl)cc1F ZINC000136059170 334145354 /nfs/dbraw/zinc/14/53/54/334145354.db2.gz IPSVEQSRLACECX-UHFFFAOYSA-N 0 1 295.745 3.886 20 0 CHADMN CCc1ccc(CNCc2ccccc2-n2ccc(C)n2)o1 ZINC000136405378 334154065 /nfs/dbraw/zinc/15/40/65/334154065.db2.gz WBOZKHKNNWYCCV-UHFFFAOYSA-N 0 1 295.386 3.626 20 0 CHADMN COc1cccc([C@H](C)N(C)Cc2scnc2C)c1 ZINC000079433258 334154318 /nfs/dbraw/zinc/15/43/18/334154318.db2.gz PYGYTEVHLLPITP-LBPRGKRZSA-N 0 1 276.405 3.653 20 0 CHADMN CN(Cc1cccc(O)c1)Cc1cccc(C(F)F)c1 ZINC000548423385 334155351 /nfs/dbraw/zinc/15/53/51/334155351.db2.gz RODLLOHTEBYPAE-UHFFFAOYSA-N 0 1 277.314 3.962 20 0 CHADMN CC(C)[C@@H]1CCCC[C@@H]1NCc1ncn(-c2ccccc2)n1 ZINC000548442357 334156438 /nfs/dbraw/zinc/15/64/38/334156438.db2.gz OCSBHEGLDVQUHP-IRXDYDNUSA-N 0 1 298.434 3.572 20 0 CHADMN CC1(C)CCC(NC(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000079679807 334159882 /nfs/dbraw/zinc/15/98/82/334159882.db2.gz ZDOHEFXJUZFJAV-UHFFFAOYSA-N 0 1 281.783 3.744 20 0 CHADMN CCc1ccc(CN(CC)[C@H](C)c2cccnc2)cn1 ZINC000576266544 335179646 /nfs/dbraw/zinc/17/96/46/335179646.db2.gz GCMFVJQWDZUZJO-CQSZACIVSA-N 0 1 269.392 3.622 20 0 CHADMN CC[N@@H+](CCCC(=O)[O-])[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000548627195 334164294 /nfs/dbraw/zinc/16/42/94/334164294.db2.gz WITXRLYASMQBHF-INIZCTEOSA-N 0 1 295.398 3.580 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N(C)Cc1cccc(O)c1 ZINC000080922828 334175324 /nfs/dbraw/zinc/17/53/24/334175324.db2.gz RXLXKNWYYKSECR-LLVKDONJSA-N 0 1 277.314 3.863 20 0 CHADMN COc1ccc(-c2n[nH]c(S[C@H]3CC[C@H](C)C3)n2)cc1 ZINC000549011028 334182448 /nfs/dbraw/zinc/18/24/48/334182448.db2.gz UEZPCYYOAFGDFY-GWCFXTLKSA-N 0 1 289.404 3.761 20 0 CHADMN C[C@@H](CN1CCOCC12CC2)c1ccc(C(F)(F)F)cc1 ZINC000549077323 334184690 /nfs/dbraw/zinc/18/46/90/334184690.db2.gz HIIACJPVTGVTRE-LBPRGKRZSA-N 0 1 299.336 3.674 20 0 CHADMN CO[C@H](C[N@H+]1Cc2ccccc2C2(CC2)C1)c1ccccc1 ZINC000549391851 334192204 /nfs/dbraw/zinc/19/22/04/334192204.db2.gz PUANJKIDOOGZNK-LJQANCHMSA-N 0 1 293.410 3.922 20 0 CHADMN CC(C)C[C@H]1CCN([C@H](C)c2nc(C(C)C)no2)C1 ZINC000245484728 334196712 /nfs/dbraw/zinc/19/67/12/334196712.db2.gz HZLUWSAGYQZVCQ-CHWSQXEVSA-N 0 1 265.401 3.622 20 0 CHADMN CCc1ccc(CN(C)Cc2cccc(Cl)c2)nc1 ZINC000549742440 334203356 /nfs/dbraw/zinc/20/33/56/334203356.db2.gz YQACLNOBYRFDRA-UHFFFAOYSA-N 0 1 274.795 3.929 20 0 CHADMN CC[C@H]1CN(Cc2cccc(-c3cccnc3)c2)C[C@@H](C)O1 ZINC000245560692 334203809 /nfs/dbraw/zinc/20/38/09/334203809.db2.gz NADLDSJUXYQNEQ-BEFAXECRSA-N 0 1 296.414 3.748 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(F)c2Cl)CCS1 ZINC000549997038 334210974 /nfs/dbraw/zinc/21/09/74/334210974.db2.gz UOMFVPUIKQUICF-SNVBAGLBSA-N 0 1 273.804 3.807 20 0 CHADMN COc1ccccc1CN1CCS[C@@H]2CCCC[C@H]21 ZINC000245684723 334212347 /nfs/dbraw/zinc/21/23/47/334212347.db2.gz AILWIWCIHVIGTE-GDBMZVCRSA-N 0 1 277.433 3.555 20 0 CHADMN COc1cccc([C@@H](C)NCc2cc(OC)ccc2F)c1 ZINC000550099605 334212923 /nfs/dbraw/zinc/21/29/23/334212923.db2.gz CCGFAZJBRHDVBI-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CC[C@@H](C)[C@H](C)C1 ZINC000245914804 334223822 /nfs/dbraw/zinc/22/38/22/334223822.db2.gz MZKACZCBTDIWEE-HUUCEWRRSA-N 0 1 288.435 3.726 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)C(F)(F)F ZINC000245980790 334226502 /nfs/dbraw/zinc/22/65/02/334226502.db2.gz GSNILNSASKUKDA-VXGBXAGGSA-N 0 1 295.732 3.646 20 0 CHADMN CC(C)[C@@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000550872350 334231258 /nfs/dbraw/zinc/23/12/58/334231258.db2.gz ZVJHSKPLGOYTQY-INIZCTEOSA-N 0 1 297.402 3.727 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1nccc2ccccc21 ZINC000550929040 334233650 /nfs/dbraw/zinc/23/36/50/334233650.db2.gz VCUJIZKUTAUUQX-BYCMXARLSA-N 0 1 258.340 3.776 20 0 CHADMN CCCC[C@@H]1CCC[C@H]1NCc1ncn(-c2ccccc2)n1 ZINC000550929329 334233660 /nfs/dbraw/zinc/23/36/60/334233660.db2.gz ZXBAJVOMEUYETN-NVXWUHKLSA-N 0 1 298.434 3.716 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000575874580 334233727 /nfs/dbraw/zinc/23/37/27/334233727.db2.gz DSDHGHYHNZMHPP-GHMZBOCLSA-N 0 1 281.421 3.765 20 0 CHADMN CCCC[C@H]1CCC[C@H]1NCc1ncn(-c2ccccc2)n1 ZINC000550929328 334233788 /nfs/dbraw/zinc/23/37/88/334233788.db2.gz ZXBAJVOMEUYETN-DOTOQJQBSA-N 0 1 298.434 3.716 20 0 CHADMN COc1ccc(Br)c(CN(C(C)C)C2CC2)c1 ZINC000551089056 334238265 /nfs/dbraw/zinc/23/82/65/334238265.db2.gz JHVZRSRFCZNZEF-UHFFFAOYSA-N 0 1 298.224 3.831 20 0 CHADMN Cc1cc(CNCc2cccc(-c3ccccc3)c2)n(C)n1 ZINC000551231214 334241693 /nfs/dbraw/zinc/24/16/93/334241693.db2.gz KJRRXXLDGFWYOH-UHFFFAOYSA-N 0 1 291.398 3.685 20 0 CHADMN Cc1ccc(C[C@@H](NCC(C)(F)F)C2CC2)cc1 ZINC000551240987 334242448 /nfs/dbraw/zinc/24/24/48/334242448.db2.gz JCLNICJNPOLHMN-CQSZACIVSA-N 0 1 253.336 3.561 20 0 CHADMN FC(F)(F)CCN1CCC(CC(F)(F)F)CC1 ZINC000551405436 334249584 /nfs/dbraw/zinc/24/95/84/334249584.db2.gz NJPLMHSGQPTCGU-UHFFFAOYSA-N 0 1 263.225 3.603 20 0 CHADMN COc1ccccc1CN1CCC(CC(F)(F)F)CC1 ZINC000551585937 334255369 /nfs/dbraw/zinc/25/53/69/334255369.db2.gz HLOXDHSSMWTLPF-UHFFFAOYSA-N 0 1 287.325 3.860 20 0 CHADMN Cc1ccc2nc(-c3ccc(N4CCCC4)nc3)[nH]c2c1C ZINC000551590235 334255388 /nfs/dbraw/zinc/25/53/88/334255388.db2.gz VNRPEIQVFYWNQG-UHFFFAOYSA-N 0 1 292.386 3.842 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CCC[C@@H](C)[C@@H]1C ZINC000247137990 334276375 /nfs/dbraw/zinc/27/63/75/334276375.db2.gz ZPROSPITPQUCDM-CABCVRRESA-N 0 1 288.435 3.869 20 0 CHADMN C[C@H](c1cccc(Br)c1)N1CCCO[C@@H](C)C1 ZINC000246774305 334269286 /nfs/dbraw/zinc/26/92/86/334269286.db2.gz IEUPCCAHTWKCIG-NWDGAFQWSA-N 0 1 298.224 3.621 20 0 CHADMN CCCCc1noc(CN2C[C@@H](c3ccccc3)C[C@H]2C)n1 ZINC000246904439 334271561 /nfs/dbraw/zinc/27/15/61/334271561.db2.gz VKKXZRLKACQHSE-ZBFHGGJFSA-N 0 1 299.418 3.790 20 0 CHADMN CC(C)CCOCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000552047136 334281372 /nfs/dbraw/zinc/28/13/72/334281372.db2.gz AYVQJJFCEMHVTK-INIZCTEOSA-N 0 1 293.455 3.683 20 0 CHADMN CC(C)Cn1ccnc1NCc1ccnc2ccccc12 ZINC000552059397 334283007 /nfs/dbraw/zinc/28/30/07/334283007.db2.gz NUNCKNDZTDIORF-UHFFFAOYSA-N 0 1 280.375 3.699 20 0 CHADMN COC[C@H]1CCN1Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000552084131 334287137 /nfs/dbraw/zinc/28/71/37/334287137.db2.gz QEMGNRKDIZIQRM-CQSZACIVSA-N 0 1 289.350 3.615 20 0 CHADMN CC(C)CO[C@@H]1CCN([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000247774559 334290188 /nfs/dbraw/zinc/29/01/88/334290188.db2.gz WPNLRKWFYKSXLA-TZMCWYRMSA-N 0 1 283.362 3.773 20 0 CHADMN O[C@H]1CCCN(Cc2cnc(C3CCCCC3)s2)CC1 ZINC000552146471 334295056 /nfs/dbraw/zinc/29/50/56/334295056.db2.gz IPGUIKAXJYUIID-AWEZNQCLSA-N 0 1 294.464 3.538 20 0 CHADMN CC[C@H](C)CN(CC)Cc1csc([C@H](C)OC)n1 ZINC000248344398 334298766 /nfs/dbraw/zinc/29/87/66/334298766.db2.gz LNJTVKCHOCXIFZ-RYUDHWBXSA-N 0 1 270.442 3.719 20 0 CHADMN Cc1ccc2oc(CNCc3cnn4ccccc34)cc2c1 ZINC000552189173 334300520 /nfs/dbraw/zinc/30/05/20/334300520.db2.gz YIMJWLHCWMAUAB-UHFFFAOYSA-N 0 1 291.354 3.679 20 0 CHADMN Cc1ncsc1C[N@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000248486937 334304078 /nfs/dbraw/zinc/30/40/78/334304078.db2.gz LLKPDCSDTRAHCY-YPMHNXCESA-N 0 1 252.427 3.710 20 0 CHADMN Cc1noc([C@@H]2CCCCN2CCC2CCCCC2)n1 ZINC000552268583 334310418 /nfs/dbraw/zinc/31/04/18/334310418.db2.gz RFLYHEXYENXKEX-HNNXBMFYSA-N 0 1 277.412 3.875 20 0 CHADMN CC1(C)CCc2cc(CN3CCC[C@@H]3CF)ccc2O1 ZINC000552391157 334323145 /nfs/dbraw/zinc/32/31/45/334323145.db2.gz XTUCOGSMEARYGX-OAHLLOKOSA-N 0 1 277.383 3.724 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCSC[C@@H](C)C1 ZINC000248986279 334323755 /nfs/dbraw/zinc/32/37/55/334323755.db2.gz GKPIKPRYOVHMDR-WDEREUQCSA-N 0 1 271.376 3.711 20 0 CHADMN CCCN(Cc1cocn1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000249322422 334331886 /nfs/dbraw/zinc/33/18/86/334331886.db2.gz RDPNSDZABDXXIL-HZPDHXFCSA-N 0 1 292.423 3.624 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1C[C@H](C)CC[C@H]1C ZINC000250525456 334345806 /nfs/dbraw/zinc/34/58/06/334345806.db2.gz WJGBHYRBEXRWOF-ZIAGYGMSSA-N 0 1 289.419 3.908 20 0 CHADMN COC[C@@H](N[C@H](C)c1ccccc1N(C)C)c1ccccc1 ZINC000089667899 334348245 /nfs/dbraw/zinc/34/82/45/334348245.db2.gz XFSKRWLMOGFICT-CRAIPNDOSA-N 0 1 298.430 3.791 20 0 CHADMN C[C@@H]1CCC[C@H](C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])C1 ZINC000251913264 334371698 /nfs/dbraw/zinc/37/16/98/334371698.db2.gz UEALCGBHARAXJZ-CWVYHPPDSA-N 0 1 279.424 3.530 20 0 CHADMN CC[C@H](CSC)N(C)Cc1cc(-c2cccs2)on1 ZINC000091099707 334372275 /nfs/dbraw/zinc/37/22/75/334372275.db2.gz PGZGAGQYTWDHIU-GFCCVEGCSA-N 0 1 296.461 3.977 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cc(C)cc(F)c3)[nH]c2c1 ZINC000553473792 334386871 /nfs/dbraw/zinc/38/68/71/334386871.db2.gz RKPAMVAOZYWSSP-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@@H]3CCC[C@H](C)C3)[nH]c2c1 ZINC000553473710 334387034 /nfs/dbraw/zinc/38/70/34/334387034.db2.gz QCBVQGURBWWOEU-CMPLNLGQSA-N 0 1 271.364 3.636 20 0 CHADMN CCc1ccccc1CC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000553485134 334387606 /nfs/dbraw/zinc/38/76/06/334387606.db2.gz FRNVLAHRVIFIAJ-UHFFFAOYSA-N 0 1 293.370 3.615 20 0 CHADMN CCc1cc(C(=O)N2C[C@H](C)CC[C@H]2c2ccccc2)n[nH]1 ZINC000553509787 334389160 /nfs/dbraw/zinc/38/91/60/334389160.db2.gz HEUVCMYSWQWOFH-DYVFJYSZSA-N 0 1 297.402 3.586 20 0 CHADMN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000556078497 334494140 /nfs/dbraw/zinc/49/41/40/334494140.db2.gz OMCXTMFIUDABBT-DETPVDSQSA-N 0 1 259.349 3.569 20 0 CHADMN Cc1cc(OCc2cc(F)cc3cccnc32)cc(C)n1 ZINC000152797105 334515292 /nfs/dbraw/zinc/51/52/92/334515292.db2.gz MEWZFDLFULIXAK-UHFFFAOYSA-N 0 1 282.318 3.965 20 0 CHADMN COc1ccc(CNCc2cc3cc(C)ccc3o2)cc1O ZINC000566755061 334663376 /nfs/dbraw/zinc/66/33/76/334663376.db2.gz OZJNTYXOHJFBLM-UHFFFAOYSA-N 0 1 297.354 3.745 20 0 CHADMN CCOc1cc(Cl)ccc1CNCc1ccncc1C ZINC000566954905 334670748 /nfs/dbraw/zinc/67/07/48/334670748.db2.gz VQEOTYXSPMQNMZ-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN CCCOc1ccc(CN[C@@H](C)c2ccc(F)cc2)cn1 ZINC000156699510 334747691 /nfs/dbraw/zinc/74/76/91/334747691.db2.gz XEBCOUNOZPBIFE-ZDUSSCGKSA-N 0 1 288.366 3.860 20 0 CHADMN C/C(=C\c1ccccc1)CNCc1cn2cc(C)ccc2n1 ZINC000568099166 334791913 /nfs/dbraw/zinc/79/19/13/334791913.db2.gz PPTKMBGNAFCNBT-MHWRWJLKSA-N 0 1 291.398 3.836 20 0 CHADMN CCOc1cccc(CNC(C)(C)c2cccc(F)c2)n1 ZINC000158934797 334816725 /nfs/dbraw/zinc/81/67/25/334816725.db2.gz NKQNQSYMVIBBMU-UHFFFAOYSA-N 0 1 288.366 3.644 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@H](C)c1ccccc1OC(C)C ZINC000568881412 334844990 /nfs/dbraw/zinc/84/49/90/334844990.db2.gz QNJCYKZNQNALAJ-HUUCEWRRSA-N 0 1 299.418 3.984 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@@H](c2ccncc2)C1 ZINC000576300853 335186642 /nfs/dbraw/zinc/18/66/42/335186642.db2.gz MGQPIEYSVIOFPV-TZMCWYRMSA-N 0 1 288.341 3.910 20 0 CHADMN Cc1cccc([C@@H](NCc2cnccn2)C(C)(C)C)c1 ZINC000576325143 335189667 /nfs/dbraw/zinc/18/96/67/335189667.db2.gz ODDSAAUSGIFOGA-MRXNPFEDSA-N 0 1 269.392 3.662 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1ccc2[nH]ccc2c1 ZINC000576359253 335194298 /nfs/dbraw/zinc/19/42/98/335194298.db2.gz FMWJUQDPZYZWIA-UHFFFAOYSA-N 0 1 283.375 3.798 20 0 CHADMN Fc1ccc(CNCc2ccc3c(n2)CCC3)cc1Cl ZINC000576445002 335204036 /nfs/dbraw/zinc/20/40/36/335204036.db2.gz TUKGOYYGSIFKIL-UHFFFAOYSA-N 0 1 290.769 3.653 20 0 CHADMN Cc1nc2c(n1Cc1cc(C)ccc1F)CCCC2 ZINC000576527821 335215446 /nfs/dbraw/zinc/21/54/46/335215446.db2.gz BBRLLOISZLMQME-UHFFFAOYSA-N 0 1 258.340 3.566 20 0 CHADMN Cc1ccoc1C[N@H+](C)Cc1ccnc2ccccc12 ZINC000576807721 335249817 /nfs/dbraw/zinc/24/98/17/335249817.db2.gz BSKCYVIDNJQKFL-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN Cc1ccoc1CN(C)Cc1ccnc2ccccc12 ZINC000576807721 335249819 /nfs/dbraw/zinc/24/98/19/335249819.db2.gz BSKCYVIDNJQKFL-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1cnn2ccccc12 ZINC000576893779 335261589 /nfs/dbraw/zinc/26/15/89/335261589.db2.gz RSPFWVCNIHNWIK-AWEZNQCLSA-N 0 1 295.386 3.502 20 0 CHADMN C[C@@H](CCN(C)Cc1cn2c(n1)CCCC2)c1ccccc1 ZINC000576953337 335269049 /nfs/dbraw/zinc/26/90/49/335269049.db2.gz VIADRUSRVZYPCV-INIZCTEOSA-N 0 1 297.446 3.845 20 0 CHADMN CC[N@@H+](CCc1ccccc1)Cc1csc(C(=O)[O-])c1 ZINC000577069145 335294950 /nfs/dbraw/zinc/29/49/50/335294950.db2.gz DGWQGBMCNLEHAX-UHFFFAOYSA-N 0 1 289.400 3.511 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](C)[C@@H]1C)c1nc(-c2cccc(F)c2)no1 ZINC000577091442 335298562 /nfs/dbraw/zinc/29/85/62/335298562.db2.gz PMWMWDOYGRJJSG-YAMSLAJTSA-N 0 1 289.354 3.571 20 0 CHADMN Cc1ccc(C)c([C@H](C)N[C@@H]2C[C@@H](C)n3ccnc32)c1 ZINC000345344952 335316503 /nfs/dbraw/zinc/31/65/03/335316503.db2.gz BETXMIRYVMCVBM-IJEWVQPXSA-N 0 1 269.392 3.857 20 0 CHADMN CC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1cccs1 ZINC000345345115 335316627 /nfs/dbraw/zinc/31/66/27/335316627.db2.gz BUUILRSTWXWBIB-WOPDTQHZSA-N 0 1 261.394 3.691 20 0 CHADMN CC(C)CO[C@@H]1C[C@@H](N[C@H](C)c2cscn2)C1(C)C ZINC000577236158 335328223 /nfs/dbraw/zinc/32/82/23/335328223.db2.gz KHAKPVDNYIMTID-MRVWCRGKSA-N 0 1 282.453 3.633 20 0 CHADMN C[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000577286891 335335584 /nfs/dbraw/zinc/33/55/84/335335584.db2.gz WWDDERRMVVKEOS-SMDDNHRTSA-N 0 1 281.783 3.588 20 0 CHADMN Cc1cccc(CN[C@H]2c3ccccc3O[C@H]2C)c1 ZINC000577416804 335350750 /nfs/dbraw/zinc/35/07/50/335350750.db2.gz JLBPBHJDJVHHFU-SUMWQHHRSA-N 0 1 253.345 3.607 20 0 CHADMN Cc1noc([C@H](C)N[C@@H]2CCC[C@H]2CCc2ccccc2)n1 ZINC000577561691 335368791 /nfs/dbraw/zinc/36/87/91/335368791.db2.gz ICGWZTCXBZTNNR-RRQGHBQHSA-N 0 1 299.418 3.830 20 0 CHADMN CC(C)(C)OCCN[C@H]1CCCOc2cc(F)cc(F)c21 ZINC000577818672 335404988 /nfs/dbraw/zinc/40/49/88/335404988.db2.gz HVLBEYXPVZAJCZ-ZDUSSCGKSA-N 0 1 299.361 3.583 20 0 CHADMN C[C@@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1cnccn1 ZINC000178292401 335424684 /nfs/dbraw/zinc/42/46/84/335424684.db2.gz SPLNECSCASBUQE-BZNIZROVSA-N 0 1 287.794 3.932 20 0 CHADMN Cc1cccc(CN[C@H]2CC(C)(C)c3ccccc32)n1 ZINC000178416912 335431022 /nfs/dbraw/zinc/43/10/22/335431022.db2.gz KFDMPIRFTVAVBE-KRWDZBQOSA-N 0 1 266.388 3.902 20 0 CHADMN CSc1ccc([C@@H](C)N[C@H](CO)c2ccsc2)cc1 ZINC000349407273 335464075 /nfs/dbraw/zinc/46/40/75/335464075.db2.gz IZYCIRXASZJUQO-IAQYHMDHSA-N 0 1 293.457 3.854 20 0 CHADMN CC1(Cc2noc(-c3ccc4cncn4c3)n2)CCCC1 ZINC000350364633 335502860 /nfs/dbraw/zinc/50/28/60/335502860.db2.gz BYSXKSFMPWLHKB-UHFFFAOYSA-N 0 1 282.347 3.507 20 0 CHADMN Clc1cnccc1CN[C@H](c1ccccc1)C1CC1 ZINC000179700585 335508964 /nfs/dbraw/zinc/50/89/64/335508964.db2.gz AZDUVVIVUMEYII-MRXNPFEDSA-N 0 1 272.779 3.976 20 0 CHADMN C[C@H](NCc1cccc(OCC(F)F)c1)c1ccoc1 ZINC000180528042 335603354 /nfs/dbraw/zinc/60/33/54/335603354.db2.gz OGDMPPIXKHWGQW-NSHDSACASA-N 0 1 281.302 3.774 20 0 CHADMN CC(C)n1nccc1CNCc1ccccc1C(F)(F)F ZINC000354194964 335757710 /nfs/dbraw/zinc/75/77/10/335757710.db2.gz YJVKBVWVEVUCJC-UHFFFAOYSA-N 0 1 297.324 3.773 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@H]2NCc1cncc(C)c1 ZINC000181840082 335787883 /nfs/dbraw/zinc/78/78/83/335787883.db2.gz MAHXDDFYSKEZBA-QGZVFWFLSA-N 0 1 282.387 3.702 20 0 CHADMN C[C@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1nccn1C ZINC000182224911 335804933 /nfs/dbraw/zinc/80/49/33/335804933.db2.gz YCALGYDCWMQPQZ-XHDPSFHLSA-N 0 1 289.810 3.875 20 0 CHADMN CCCc1ccccc1NS(=O)(=O)c1cc(C)oc1C ZINC000182778749 335842345 /nfs/dbraw/zinc/84/23/45/335842345.db2.gz ZZXGBJQRISDYDM-UHFFFAOYSA-N 0 1 293.388 3.650 20 0 CHADMN Cc1ccc(CCN[C@@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000185175856 335948129 /nfs/dbraw/zinc/94/81/29/335948129.db2.gz GGSUWVJETNTYFB-ZDUSSCGKSA-N 0 1 287.407 3.569 20 0 CHADMN Cc1ccnc([C@@H](C)NC2(c3ccc(F)cc3)CC2)c1 ZINC000580789188 335967399 /nfs/dbraw/zinc/96/73/99/335967399.db2.gz BLNFMXFKDGZVAL-CYBMUJFWSA-N 0 1 270.351 3.869 20 0 CHADMN CCCC[C@H](C)N(C)CC(=O)c1c[nH]c2ccccc12 ZINC000380688746 336017447 /nfs/dbraw/zinc/01/74/47/336017447.db2.gz LMCBIFVZVAJGHL-ZDUSSCGKSA-N 0 1 272.392 3.861 20 0 CHADMN CC(C)(CN[C@@H](c1ncc[nH]1)c1cccnc1)C1CCCC1 ZINC000195082507 336044553 /nfs/dbraw/zinc/04/45/53/336044553.db2.gz PDHDBUOONOZPLJ-MRXNPFEDSA-N 0 1 298.434 3.700 20 0 CHADMN CCCN(Cc1nnc(C)n1C1CC1)CC1CCCCC1 ZINC000195104149 336045429 /nfs/dbraw/zinc/04/54/29/336045429.db2.gz HVEDMZJXTFPAKY-UHFFFAOYSA-N 0 1 290.455 3.714 20 0 CHADMN CCc1ccccc1C[N@H+](CC)C1CCC(C(=O)[O-])CC1 ZINC000581322108 336049043 /nfs/dbraw/zinc/04/90/43/336049043.db2.gz KKSFMNDIDSGEMV-UHFFFAOYSA-N 0 1 289.419 3.714 20 0 CHADMN CC[C@@H](C)[C@H](CNCc1c(F)cccc1Cl)OC ZINC000381125134 336051023 /nfs/dbraw/zinc/05/10/23/336051023.db2.gz FXKSUSGQMHNFBQ-YGRLFVJLSA-N 0 1 273.779 3.630 20 0 CHADMN CC[C@@H](C)[C@@H](CNCc1c(F)cccc1Cl)OC ZINC000381124784 336051108 /nfs/dbraw/zinc/05/11/08/336051108.db2.gz FXKSUSGQMHNFBQ-QMTHXVAHSA-N 0 1 273.779 3.630 20 0 CHADMN C[C@@H](NCc1cccc(OC(F)F)c1)c1ccco1 ZINC000195322184 336051856 /nfs/dbraw/zinc/05/18/56/336051856.db2.gz AQUMOKSZVBFCAC-SNVBAGLBSA-N 0 1 267.275 3.732 20 0 CHADMN C[C@@H]1CCCCC[N@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC000381486429 336066359 /nfs/dbraw/zinc/06/63/59/336066359.db2.gz GKEMPEOEPDRPIH-LLVKDONJSA-N 0 1 281.783 3.803 20 0 CHADMN COc1ccc(-c2cnc(CNC3(C(C)C)CC3)o2)cc1 ZINC000581417440 336073242 /nfs/dbraw/zinc/07/32/42/336073242.db2.gz HUBQALBEVBAJAU-UHFFFAOYSA-N 0 1 286.375 3.628 20 0 CHADMN C[C@H](O)[C@H](N[C@H]1CCCc2ccccc21)c1ccccc1F ZINC000581434330 336077184 /nfs/dbraw/zinc/07/71/84/336077184.db2.gz RYORRQXKHDDQND-AGRHKRQWSA-N 0 1 299.389 3.915 20 0 CHADMN CCCCN(Cc1ncc(CC)o1)[C@@H]1CCCC[C@H]1OC ZINC000581529961 336095718 /nfs/dbraw/zinc/09/57/18/336095718.db2.gz DGJPSWYFURWCGL-HZPDHXFCSA-N 0 1 294.439 3.797 20 0 CHADMN CCC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000581553960 336102119 /nfs/dbraw/zinc/10/21/19/336102119.db2.gz MCSXLYNPUSUWTD-LBPRGKRZSA-N 0 1 279.355 3.536 20 0 CHADMN CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000383060367 336103836 /nfs/dbraw/zinc/10/38/36/336103836.db2.gz NGWGYMBKBHJALT-GHMZBOCLSA-N 0 1 255.789 3.960 20 0 CHADMN Cc1cnc([C@H](C)N[C@H]2C=CCCCCC2)s1 ZINC000383132658 336104790 /nfs/dbraw/zinc/10/47/90/336104790.db2.gz VHXBNBUUAHZUFG-STQMWFEESA-N 0 1 250.411 3.991 20 0 CHADMN C[C@@H]1CC[N@H+](Cc2cccc([O-])c2Cl)C[C@@H]1C ZINC000383168461 336105448 /nfs/dbraw/zinc/10/54/48/336105448.db2.gz NFGSVBPAEQXXDT-MNOVXSKESA-N 0 1 253.773 3.524 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc([O-])c2Cl)C[C@@H]1C ZINC000383168461 336105450 /nfs/dbraw/zinc/10/54/50/336105450.db2.gz NFGSVBPAEQXXDT-MNOVXSKESA-N 0 1 253.773 3.524 20 0 CHADMN C[C@@H]1CCC[N@H+](Cc2cccc([O-])c2Cl)[C@@H]1C ZINC000383184830 336105609 /nfs/dbraw/zinc/10/56/09/336105609.db2.gz QOYRZIRJYGCMEQ-GHMZBOCLSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cccc([O-])c2Cl)[C@@H]1C ZINC000383184830 336105610 /nfs/dbraw/zinc/10/56/10/336105610.db2.gz QOYRZIRJYGCMEQ-GHMZBOCLSA-N 0 1 253.773 3.666 20 0 CHADMN CCC[N@@H+](Cc1cc(C)c(C(=O)[O-])o1)Cc1ccccc1 ZINC000383589845 336114862 /nfs/dbraw/zinc/11/48/62/336114862.db2.gz QYJMGIUFMAWKJT-UHFFFAOYSA-N 0 1 287.359 3.698 20 0 CHADMN CC[N@@H+](Cc1ccc(OC)c(C)c1)[C@@H](C)c1cccnc1 ZINC000581634761 336115426 /nfs/dbraw/zinc/11/54/26/336115426.db2.gz DHQCYLHSSMQHPF-HNNXBMFYSA-N 0 1 284.403 3.982 20 0 CHADMN C[C@@H]1C[C@H](NCc2c(Cl)cccc2Cl)[C@H](C)O1 ZINC000384541595 336125380 /nfs/dbraw/zinc/12/53/80/336125380.db2.gz DZERBFJHPPKZIO-ZDMBXUJBSA-N 0 1 274.191 3.649 20 0 CHADMN CC[C@H](C(=O)Nc1ccccc1CCC(C)C)N(C)C ZINC000581713118 336135158 /nfs/dbraw/zinc/13/51/58/336135158.db2.gz DSARYVNECMZEGS-MRXNPFEDSA-N 0 1 276.424 3.554 20 0 CHADMN C[C@H](O)[C@H](N[C@@H]1CCc2ccccc21)c1ccccc1F ZINC000581730570 336139295 /nfs/dbraw/zinc/13/92/95/336139295.db2.gz MIJRARSYENENPE-RZAIGCCYSA-N 0 1 285.362 3.525 20 0 CHADMN CCOc1cccc(CNCc2cccc(C)c2F)c1 ZINC000385208325 336142058 /nfs/dbraw/zinc/14/20/58/336142058.db2.gz RMSGVODSGMYYBG-UHFFFAOYSA-N 0 1 273.351 3.823 20 0 CHADMN C[C@H](Cc1cccs1)[NH2+]Cc1cccc([O-])c1Cl ZINC000385588007 336152034 /nfs/dbraw/zinc/15/20/34/336152034.db2.gz HOMCQJPJLIYVIN-SNVBAGLBSA-N 0 1 281.808 3.828 20 0 CHADMN CCCCCNC(=O)C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000581917145 336165225 /nfs/dbraw/zinc/16/52/25/336165225.db2.gz KTOQAXBIAYFSCX-KRWDZBQOSA-N 0 1 288.435 3.520 20 0 CHADMN CCCCCNC(=O)CN1CCCC[C@H]1c1ccccc1 ZINC000581917145 336165227 /nfs/dbraw/zinc/16/52/27/336165227.db2.gz KTOQAXBIAYFSCX-KRWDZBQOSA-N 0 1 288.435 3.520 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2CCCC[C@@H]2C2CC2)n1 ZINC000582002574 336189060 /nfs/dbraw/zinc/18/90/60/336189060.db2.gz SVYFQYIYBIDYED-MCIONIFRSA-N 0 1 277.412 3.799 20 0 CHADMN CCc1ccc([C@@H]2CC[N@H+]([C@H](CC(C)C)C(=O)[O-])C2)cc1 ZINC000582014801 336192637 /nfs/dbraw/zinc/19/26/37/336192637.db2.gz KHRJJFMPGPJKAY-IAGOWNOFSA-N 0 1 289.419 3.538 20 0 CHADMN CC(C)[C@H](C)N[C@H](c1nccs1)c1ccccc1 ZINC000123148442 519813240 /nfs/dbraw/zinc/81/32/40/519813240.db2.gz RGMYIBWKAVUPKD-JSGCOSHPSA-N 0 1 260.406 3.867 20 0 CHADMN Cc1cc(CN[C@@H]2CCOc3c(F)cccc32)cs1 ZINC000336214513 533724510 /nfs/dbraw/zinc/72/45/10/533724510.db2.gz YBWKLOPUWXNMNY-CQSZACIVSA-N 0 1 277.364 3.809 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1cc(O)ccc1Br ZINC000354992675 533741607 /nfs/dbraw/zinc/74/16/07/533741607.db2.gz MFYILMFDLZUZLX-UWVGGRQHSA-N 0 1 284.197 3.528 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@H](C)c1ccncc1F ZINC000340359287 522116498 /nfs/dbraw/zinc/11/64/98/522116498.db2.gz OLLYWPGMBHBIOE-RKDXNWHRSA-N 0 1 264.266 3.602 20 0 CHADMN COc1cccc([C@H]2C[C@H](C)CN2Cc2conc2C)c1 ZINC000352859165 533800473 /nfs/dbraw/zinc/80/04/73/533800473.db2.gz RIZDOWTUTMKMBB-YVEFUNNKSA-N 0 1 286.375 3.575 20 0 CHADMN CSCc1cnc(CN2CC[C@@H](C(C)(C)C)C2)s1 ZINC000352867817 533869256 /nfs/dbraw/zinc/86/92/56/533869256.db2.gz KYCSUSZPEMJDKZ-LLVKDONJSA-N 0 1 284.494 3.874 20 0 CHADMN CSCc1cnc(CN2CC[C@H](C(C)(C)C)C2)s1 ZINC000352867818 533870697 /nfs/dbraw/zinc/87/06/97/533870697.db2.gz KYCSUSZPEMJDKZ-NSHDSACASA-N 0 1 284.494 3.874 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(C)n2)c(C)c1 ZINC000353767900 533875280 /nfs/dbraw/zinc/87/52/80/533875280.db2.gz NBBBBYUCMPNFSX-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN COc1ccc(F)cc1CNCc1ccc2occc2c1 ZINC000352735453 533945224 /nfs/dbraw/zinc/94/52/24/533945224.db2.gz BZUWYUREVGMHQT-UHFFFAOYSA-N 0 1 285.318 3.870 20 0 CHADMN COc1ccccc1/C=C\CN1CCC[C@@H]1c1cc(C)no1 ZINC000352096840 533959852 /nfs/dbraw/zinc/95/98/52/533959852.db2.gz KXTZJDFXFSJQBI-KQQSKNTNSA-N 0 1 298.386 3.842 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c(O)cccc21)c1cncc(F)c1 ZINC000334603758 533987383 /nfs/dbraw/zinc/98/73/83/533987383.db2.gz AHZKKNVECZARIH-MEDUHNTESA-N 0 1 286.350 3.655 20 0 CHADMN CS[C@@H]1CC[C@@H]1NCc1coc(-c2ccc(C)cc2)n1 ZINC000344957954 533992696 /nfs/dbraw/zinc/99/26/96/533992696.db2.gz TUIXFMSFYWFYBR-LSDHHAIUSA-N 0 1 288.416 3.634 20 0 CHADMN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1Cc1ccncc1 ZINC000354824923 534058045 /nfs/dbraw/zinc/05/80/45/534058045.db2.gz BWSGBJIMYDNZCD-CHWSQXEVSA-N 0 1 270.351 3.729 20 0 CHADMN C[C@@H]1N(Cc2cccc(-c3cccnc3)c2)CCOC1(C)C ZINC000353878538 534092188 /nfs/dbraw/zinc/09/21/88/534092188.db2.gz FAXPVMZWSSKUAE-HNNXBMFYSA-N 0 1 296.414 3.748 20 0 CHADMN CS[C@H]1CC[C@H]1NCc1csc(-c2ccccc2)n1 ZINC000344958056 534117476 /nfs/dbraw/zinc/11/74/76/534117476.db2.gz IQFYYSGFDXEDFQ-KGLIPLIRSA-N 0 1 290.457 3.794 20 0 CHADMN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccsc1Cl ZINC000336462953 534206968 /nfs/dbraw/zinc/20/69/68/534206968.db2.gz UNVQZRASWXHMOV-SCZZXKLOSA-N 0 1 272.801 3.537 20 0 CHADMN C[C@@H](N(C)Cc1nc2c(s1)C[C@@H](C)CC2)C1(C)CC1 ZINC000355085189 534286115 /nfs/dbraw/zinc/28/61/15/534286115.db2.gz XHQQGBHYHAJEFY-NWDGAFQWSA-N 0 1 278.465 3.888 20 0 CHADMN COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1cc(C)no1 ZINC000353241231 518162382 /nfs/dbraw/zinc/16/23/82/518162382.db2.gz FEPAUAMIELCYMZ-MRXNPFEDSA-N 0 1 286.375 3.504 20 0 CHADMN Brc1ccc2c(c1)CC[C@H]2NCc1ccco1 ZINC000040226038 518217879 /nfs/dbraw/zinc/21/78/79/518217879.db2.gz BFCWJQQXYWGGFX-CQSZACIVSA-N 0 1 292.176 3.819 20 0 CHADMN C(=Cc1ccccc1)c1n[nH]c(SCc2ccncc2)n1 ZINC000340931425 518374683 /nfs/dbraw/zinc/37/46/83/518374683.db2.gz CTHVDYGCMXDBRC-SREVYHEPSA-N 0 1 294.383 3.662 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)CC2(C)CCCC2)c1 ZINC000289401004 518389313 /nfs/dbraw/zinc/38/93/13/518389313.db2.gz GOIZMWQZPPOOSB-UHFFFAOYSA-N 0 1 275.348 3.504 20 0 CHADMN C/C(=C/c1nc([C@H](N)CC(C)C)no1)c1cccc(F)c1 ZINC000339392299 518416370 /nfs/dbraw/zinc/41/63/70/518416370.db2.gz NDIQQBPHKMNQAW-KOTGUFOOSA-N 0 1 289.354 3.815 20 0 CHADMN Cc1ccc2[nH]c(CN(C)[C@H](C)c3cnn(C)c3)cc2c1C ZINC000351976775 534352323 /nfs/dbraw/zinc/35/23/23/534352323.db2.gz WYIYGZJIEXOCCM-CQSZACIVSA-N 0 1 296.418 3.711 20 0 CHADMN CC(=CC(C)(C)C)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000274778959 518435634 /nfs/dbraw/zinc/43/56/34/518435634.db2.gz JKFADSRNISMUNH-VOTSOKGWSA-N 0 1 271.311 3.587 20 0 CHADMN CC(C)(C(=O)Nc1cccc2c1CN(C1CC1)C2)C1CC1 ZINC000365879500 518537942 /nfs/dbraw/zinc/53/79/42/518537942.db2.gz MBNFAVKDLNTBTN-UHFFFAOYSA-N 0 1 284.403 3.539 20 0 CHADMN CC(C)(C)[C@H](NCc1cn2cccnc2n1)c1ccccc1 ZINC000097079240 518967218 /nfs/dbraw/zinc/96/72/18/518967218.db2.gz SGBGXMRBKVSORD-MRXNPFEDSA-N 0 1 294.402 3.606 20 0 CHADMN CC(C)(C)c1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1 ZINC000055368174 519036018 /nfs/dbraw/zinc/03/60/18/519036018.db2.gz WCVCSPXUFHVSTI-INIZCTEOSA-N 0 1 282.387 3.623 20 0 CHADMN CC(C)(C)c1n[nH]cc1CNCc1ccc2ccccc2n1 ZINC000340404685 519089602 /nfs/dbraw/zinc/08/96/02/519089602.db2.gz COHVWLXBODQZSR-UHFFFAOYSA-N 0 1 294.402 3.545 20 0 CHADMN CC(C)(C)c1[nH]ncc1C(=O)Nc1cccc(C(F)F)c1 ZINC000293130163 519090930 /nfs/dbraw/zinc/09/09/30/519090930.db2.gz SCYCAHVEAOTUJG-UHFFFAOYSA-N 0 1 293.317 3.897 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2csc(C3CC3)n2)n1 ZINC000125509780 519124754 /nfs/dbraw/zinc/12/47/54/519124754.db2.gz OOESNFHPKGAHKC-UHFFFAOYSA-N 0 1 294.449 3.728 20 0 CHADMN FC(F)(F)[C@@H]1CCCN(Cc2cc3cccnc3o2)C1 ZINC000336217582 534409682 /nfs/dbraw/zinc/40/96/82/534409682.db2.gz NULLCHKBDHXLBT-LLVKDONJSA-N 0 1 284.281 3.602 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000339396942 519227981 /nfs/dbraw/zinc/22/79/81/519227981.db2.gz QFNVDAJLIISEFF-LLVKDONJSA-N 0 1 299.296 3.801 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C(C)(C)c2ccccc2F)n1 ZINC000339389499 519229692 /nfs/dbraw/zinc/22/96/92/519229692.db2.gz CPRGCLNMWJYHHU-CYBMUJFWSA-N 0 1 291.370 3.581 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C2(c3ccccc3)CCCC2)n1 ZINC000339396190 519230111 /nfs/dbraw/zinc/23/01/11/519230111.db2.gz OCEPRDLLARLRTK-OAHLLOKOSA-N 0 1 299.418 3.976 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2csc(C(C)(C)C)n2)n1 ZINC000339392288 519231109 /nfs/dbraw/zinc/23/11/09/519231109.db2.gz NAUSLNFVKREZKD-SECBINFHSA-N 0 1 294.424 3.537 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H](C)c2cccc(Cl)c2)n1 ZINC000339388729 519236957 /nfs/dbraw/zinc/23/69/57/519236957.db2.gz JDYYFLHYCWILOE-ZWNOBZJWSA-N 0 1 293.798 3.921 20 0 CHADMN C=Cn1cc(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)cn1 ZINC000291195883 519320495 /nfs/dbraw/zinc/32/04/95/519320495.db2.gz HDTKDDMWPAFVFG-OLZOCXBDSA-N 0 1 287.329 3.537 20 0 CHADMN CC(C)(NCc1ccc(F)cn1)c1ccc(Cl)cc1 ZINC000276158506 519322723 /nfs/dbraw/zinc/32/27/23/519322723.db2.gz CUAGKFSSVXYLNR-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN CC(C)C[C@H](N)c1noc(CCCC2CCCC2)n1 ZINC000339387865 519374128 /nfs/dbraw/zinc/37/41/28/519374128.db2.gz PXLCPZYRXQXARI-ZDUSSCGKSA-N 0 1 265.401 3.628 20 0 CHADMN CC(C)C[C@H]1CCCCCN1C(=O)c1ccc2cncn2c1 ZINC000339956890 519406975 /nfs/dbraw/zinc/40/69/75/519406975.db2.gz OODBXPWUBPSIDU-MRXNPFEDSA-N 0 1 299.418 3.765 20 0 CHADMN CC(C)N(CC1CCC1)C(=O)c1ccc(O)c(Cl)c1 ZINC000278167802 519641105 /nfs/dbraw/zinc/64/11/05/519641105.db2.gz PTQUCMSFDMKKAT-UHFFFAOYSA-N 0 1 281.783 3.696 20 0 CHADMN CC(C)N(Cc1ccc(F)cc1)Cc1ccc(F)cn1 ZINC000276379667 519654638 /nfs/dbraw/zinc/65/46/38/519654638.db2.gz QEWBFMBHPUJRER-UHFFFAOYSA-N 0 1 276.330 3.770 20 0 CHADMN Cc1ccoc1CN[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000344521088 534447422 /nfs/dbraw/zinc/44/74/22/534447422.db2.gz VAAVQOIOISGVHX-AWEZNQCLSA-N 0 1 281.359 3.625 20 0 CHADMN CC(C)OCCN1CCC[C@H]1c1nc2ccccc2s1 ZINC000067128545 519765761 /nfs/dbraw/zinc/76/57/61/519765761.db2.gz DRLWHRTUEWCXNL-AWEZNQCLSA-N 0 1 290.432 3.858 20 0 CHADMN CC(C)[C@@H]1CN(Cc2nc3ccccc3s2)CCCO1 ZINC000292896261 519804622 /nfs/dbraw/zinc/80/46/22/519804622.db2.gz ACKUDFAKKXABNK-AWEZNQCLSA-N 0 1 290.432 3.543 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](N[C@H](C)c1cnccn1)CC2 ZINC000187801463 519840687 /nfs/dbraw/zinc/84/06/87/519840687.db2.gz AUNYPRZVCFILEL-CXAGYDPISA-N 0 1 281.403 3.938 20 0 CHADMN CC(C)c1nc(CN[C@@H]2CCC[C@H]2OC(F)F)cs1 ZINC000337289105 519864182 /nfs/dbraw/zinc/86/41/82/519864182.db2.gz LRSVASFYLRXUFQ-GHMZBOCLSA-N 0 1 290.379 3.516 20 0 CHADMN CC(C)c1nnc(CN(C)[C@H]2CCC[C@@H]2c2ccccc2)o1 ZINC000297420333 519886149 /nfs/dbraw/zinc/88/61/49/519886149.db2.gz DRQYZUHQUFSLCO-CVEARBPZSA-N 0 1 299.418 3.961 20 0 CHADMN CCCC1CCC(NCc2nccc(C(F)F)n2)CC1 ZINC000287051897 519898664 /nfs/dbraw/zinc/89/86/64/519898664.db2.gz MYWKJMLRMCUUPN-UHFFFAOYSA-N 0 1 283.366 3.863 20 0 CHADMN CC(C)n1ccnc1CN1CCC[C@H](Cc2ccccc2)C1 ZINC000337215838 520025757 /nfs/dbraw/zinc/02/57/57/520025757.db2.gz HDWJXBYOUNXEAL-GOSISDBHSA-N 0 1 297.446 3.919 20 0 CHADMN Fc1ccc(CNCc2cccc(-c3ccncc3)c2)nc1 ZINC000344924438 534467601 /nfs/dbraw/zinc/46/76/01/534467601.db2.gz GLBXQCINIMSBBS-UHFFFAOYSA-N 0 1 293.345 3.573 20 0 CHADMN Fc1ccc(F)c(C[C@H]2CCCN2Cc2cncs2)c1 ZINC000418101857 534480515 /nfs/dbraw/zinc/48/05/15/534480515.db2.gz UBIXIYYRPMOZAK-CYBMUJFWSA-N 0 1 294.370 3.628 20 0 CHADMN Fc1ccc(F)c(C[C@H]2CCCN2Cc2cccnc2)c1 ZINC000418089539 534481316 /nfs/dbraw/zinc/48/13/16/534481316.db2.gz CLGNDUGJWXPMGV-MRXNPFEDSA-N 0 1 288.341 3.567 20 0 CHADMN CCCOc1c(CNC2CC(F)(F)C2)cccc1OCC ZINC000277754365 520291582 /nfs/dbraw/zinc/29/15/82/520291582.db2.gz WMYRVGJRTNBGON-UHFFFAOYSA-N 0 1 299.361 3.761 20 0 CHADMN CCCCC[C@H](CC)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000271794730 520310969 /nfs/dbraw/zinc/31/09/69/520310969.db2.gz HFTONSOMTLRUEA-JSGCOSHPSA-N 0 1 277.412 3.510 20 0 CHADMN CC1(C)CN(Cc2ccccc2)[C@H]1c1cccnc1 ZINC000292793077 520483780 /nfs/dbraw/zinc/48/37/80/520483780.db2.gz MQMPRGQCVIYDRU-INIZCTEOSA-N 0 1 252.361 3.665 20 0 CHADMN Fc1ccc2c(c1)CCC[C@H]2NCc1cncc(F)c1 ZINC000336103488 534498411 /nfs/dbraw/zinc/49/84/11/534498411.db2.gz KAPMUAJLHQJHNA-MRXNPFEDSA-N 0 1 274.314 3.527 20 0 CHADMN CC1(C)C[C@@H]1N[C@@H](c1ccccc1)c1ccccn1 ZINC000045115463 520542165 /nfs/dbraw/zinc/54/21/65/520542165.db2.gz PBCNEZNBEYYBEB-HOTGVXAUSA-N 0 1 252.361 3.559 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000334610066 534503871 /nfs/dbraw/zinc/50/38/71/534503871.db2.gz QNRNASONTOONFF-NHYWBVRUSA-N 0 1 293.794 3.514 20 0 CHADMN Fc1ccc2c(c1)nccc2NCc1cccc2c1OCO2 ZINC000354684005 534506085 /nfs/dbraw/zinc/50/60/85/534506085.db2.gz MSMZTHKCDCEUAK-UHFFFAOYSA-N 0 1 296.301 3.715 20 0 CHADMN CCOc1cc(CN[C@H]2CCCc3occc32)ccc1O ZINC000020203942 520731092 /nfs/dbraw/zinc/73/10/92/520731092.db2.gz KDFLGPGKMGTIPP-AWEZNQCLSA-N 0 1 287.359 3.551 20 0 CHADMN CCN(CC)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000072590283 520823480 /nfs/dbraw/zinc/82/34/80/520823480.db2.gz PMJPZQPECQNPAA-VIFPVBQESA-N 0 1 289.206 3.662 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1Cc1ncnn1-c1ccccc1 ZINC000337198091 520902148 /nfs/dbraw/zinc/90/21/48/520902148.db2.gz ZHOWWBGMXDWCMH-NVXWUHKLSA-N 0 1 298.434 3.668 20 0 CHADMN CCOc1ccc(CN(CC)Cc2ccncc2)cc1F ZINC000289845541 520964093 /nfs/dbraw/zinc/96/40/93/520964093.db2.gz PQWRKKBRTMFVIY-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2cc(C)ccn2)cc1 ZINC000286139008 521006487 /nfs/dbraw/zinc/00/64/87/521006487.db2.gz OWIUIFCKXNRHMQ-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN CCC[C@H](C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000287076746 521006711 /nfs/dbraw/zinc/00/67/11/521006711.db2.gz VRXCGJIQUFDHDN-ZETCQYMHSA-N 0 1 259.708 3.559 20 0 CHADMN CCCC[C@H](C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000337291109 521138296 /nfs/dbraw/zinc/13/82/96/521138296.db2.gz LMTZCBYUQPCOCM-JTQLQIEISA-N 0 1 259.353 3.636 20 0 CHADMN CCC[C@H](OC)c1noc(-c2cc(Cl)ccc2O)n1 ZINC000157393006 521193511 /nfs/dbraw/zinc/19/35/11/521193511.db2.gz XIWCJCIQODVUEI-NSHDSACASA-N 0 1 282.727 3.583 20 0 CHADMN NC1(c2noc(C3=C(c4ccccc4)CCC3)n2)CCC1 ZINC000334867489 534552506 /nfs/dbraw/zinc/55/25/06/534552506.db2.gz XMUQUOAEUZJLCP-UHFFFAOYSA-N 0 1 281.359 3.502 20 0 CHADMN CCC(CC)(CC)CNCc1nccc(C(F)F)n1 ZINC000290272395 521394419 /nfs/dbraw/zinc/39/44/19/521394419.db2.gz YBJKUQIUKPYVGC-UHFFFAOYSA-N 0 1 271.355 3.720 20 0 CHADMN CCCc1ccc([C@H](NCc2ncc[nH]2)C(C)C)cc1 ZINC000067667486 521418583 /nfs/dbraw/zinc/41/85/83/521418583.db2.gz OHAFDORLBQVZSV-QGZVFWFLSA-N 0 1 271.408 3.849 20 0 CHADMN CCN(Cc1cnc(C)nc1)[C@H](C)c1ccc(F)cc1 ZINC000339323898 521432817 /nfs/dbraw/zinc/43/28/17/521432817.db2.gz MCDKIVFUVANSQH-GFCCVEGCSA-N 0 1 273.355 3.507 20 0 CHADMN CCN(Cc1ncnn1-c1ccccc1)[C@H]1CCCC[C@H]1C ZINC000337207673 521462513 /nfs/dbraw/zinc/46/25/13/521462513.db2.gz PAHTVWCWZLKKFS-WBVHZDCISA-N 0 1 298.434 3.668 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])[C@@H](CC)c1ccc(Cl)cc1 ZINC000086775689 521561262 /nfs/dbraw/zinc/56/12/62/521561262.db2.gz IGOINFBOTBSYGM-ZDUSSCGKSA-N 0 1 269.772 3.588 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000086776137 521561524 /nfs/dbraw/zinc/56/15/24/521561524.db2.gz VXXDCZVYVUVLOG-JTQLQIEISA-N 0 1 289.297 3.563 20 0 CHADMN CCCN(CC)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000299357482 521614983 /nfs/dbraw/zinc/61/49/83/521614983.db2.gz IEQWITJVULDSEI-UHFFFAOYSA-N 0 1 274.364 3.582 20 0 CHADMN CCC(CC)c1cc(-c2nc([C@H](N)CC(C)C)no2)on1 ZINC000339394198 521626924 /nfs/dbraw/zinc/62/69/24/521626924.db2.gz QDCTXZUISCTNGF-LLVKDONJSA-N 0 1 292.383 3.674 20 0 CHADMN CCOCC(C)(C)NCc1nc(-c2ccsc2)oc1C ZINC000339380440 521670727 /nfs/dbraw/zinc/67/07/27/521670727.db2.gz GIGMKBFBLSLSCH-UHFFFAOYSA-N 0 1 294.420 3.616 20 0 CHADMN CCOCCC1(CNc2cccc(C)n2)CCCC1 ZINC000158005026 521692015 /nfs/dbraw/zinc/69/20/15/521692015.db2.gz SDHWHBHURLHPDK-UHFFFAOYSA-N 0 1 262.397 3.789 20 0 CHADMN CCSc1cccc(CNCc2ccc(COC)o2)c1 ZINC000291722655 521756168 /nfs/dbraw/zinc/75/61/68/521756168.db2.gz MSNBEMLKNOOYRG-UHFFFAOYSA-N 0 1 291.416 3.828 20 0 CHADMN CCSc1cccc(CN[C@@H](C)c2nccnc2C)c1 ZINC000293227909 521760007 /nfs/dbraw/zinc/76/00/07/521760007.db2.gz ARLUXFJQZAHESH-ZDUSSCGKSA-N 0 1 287.432 3.748 20 0 CHADMN CCc1cccc(NC(=O)c2cccc3nc(C)[nH]c32)c1 ZINC000338507433 521768630 /nfs/dbraw/zinc/76/86/30/521768630.db2.gz BFBDBLYHJFSMKW-UHFFFAOYSA-N 0 1 279.343 3.686 20 0 CHADMN CCSc1ccccc1[C@H](C)N[C@@H](C)c1cnn(C)c1 ZINC000163873756 521781772 /nfs/dbraw/zinc/78/17/72/521781772.db2.gz ODDICFXGKYTCOG-STQMWFEESA-N 0 1 289.448 3.944 20 0 CHADMN CC[C@H](C)[C@@H](C)N(C(=O)c1cc(C(C)C)[nH]n1)C1CC1 ZINC000264100581 521801567 /nfs/dbraw/zinc/80/15/67/521801567.db2.gz AQVBLBGCXWYMNF-NWDGAFQWSA-N 0 1 277.412 3.572 20 0 CHADMN COCC[C@@H](NCc1cc(C)sc1C)c1ccco1 ZINC000272602956 521859010 /nfs/dbraw/zinc/85/90/10/521859010.db2.gz SLRWZKMCFVRVAF-CQSZACIVSA-N 0 1 279.405 3.825 20 0 CHADMN COCC[C@@H](NCc1ccsc1C)c1ccc(C)o1 ZINC000339342259 521859636 /nfs/dbraw/zinc/85/96/36/521859636.db2.gz PVDOQLCUOFQTMO-CQSZACIVSA-N 0 1 279.405 3.825 20 0 CHADMN COCC[C@@H](NCc1cccc(F)c1)c1ccc(C)o1 ZINC000272225653 521859690 /nfs/dbraw/zinc/85/96/90/521859690.db2.gz FIJIERCTLSJRJP-OAHLLOKOSA-N 0 1 277.339 3.595 20 0 CHADMN COCC[C@@H](N[C@@H]1CCCc2occc21)c1ccc(C)o1 ZINC000278397525 521863231 /nfs/dbraw/zinc/86/32/31/521863231.db2.gz FHBVLAQYESHORQ-HUUCEWRRSA-N 0 1 289.375 3.926 20 0 CHADMN COCC[C@H](N[C@H](C)c1ccsc1)c1ccco1 ZINC000272594301 521976362 /nfs/dbraw/zinc/97/63/62/521976362.db2.gz SNYZKMHPKRDUCH-YPMHNXCESA-N 0 1 265.378 3.770 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2ccc(C)s2)n[nH]1 ZINC000277058251 522050999 /nfs/dbraw/zinc/05/09/99/522050999.db2.gz BKZGKLYUXXDAKI-ONGXEEELSA-N 0 1 278.425 3.539 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2cc(C)cc(C)c2)n[nH]1 ZINC000277427553 522052434 /nfs/dbraw/zinc/05/24/34/522052434.db2.gz NDZPKYJTAOKMBD-UONOGXRCSA-N 0 1 286.423 3.786 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2sccc2C)n[nH]1 ZINC000277140275 522053935 /nfs/dbraw/zinc/05/39/35/522053935.db2.gz DPKMATZHQHPWOC-GXSJLCMTSA-N 0 1 278.425 3.539 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2cccc(F)c2)n[nH]1 ZINC000277382085 522054588 /nfs/dbraw/zinc/05/45/88/522054588.db2.gz XQJDVFDCSOVGCP-QJPTWQEYSA-N 0 1 290.386 3.869 20 0 CHADMN CCc1nc(S[C@H](CC)c2ccc(F)cc2)n[nH]1 ZINC000077927816 522137690 /nfs/dbraw/zinc/13/76/90/522137690.db2.gz XHAQXFHIIDKPCJ-LLVKDONJSA-N 0 1 265.357 3.750 20 0 CHADMN CCc1n[nH]c(S[C@H](CC)c2ccc(F)cc2)n1 ZINC000077927816 522137695 /nfs/dbraw/zinc/13/76/95/522137695.db2.gz XHAQXFHIIDKPCJ-LLVKDONJSA-N 0 1 265.357 3.750 20 0 CHADMN CCc1nc(C)c(CN[C@H]2c3cc(C)ccc3C[C@@H]2C)o1 ZINC000291919700 522211026 /nfs/dbraw/zinc/21/10/26/522211026.db2.gz NRDNEYHFPOEKCC-KPZWWZAWSA-N 0 1 284.403 3.877 20 0 CHADMN CC[C@H](Cc1ccccc1)N(C)Cc1nccn1C(F)F ZINC000128710347 522310609 /nfs/dbraw/zinc/31/06/09/522310609.db2.gz ZCLVIQCEKHOOGB-CQSZACIVSA-N 0 1 293.361 3.731 20 0 CHADMN COC[C@@H](N[C@@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000291166059 522376525 /nfs/dbraw/zinc/37/65/25/522376525.db2.gz JLWODEHNJSRGKP-QZTJIDSGSA-N 0 1 297.398 3.747 20 0 CHADMN CC[C@@H](C)c1nnc([C@@H](C)NC2CC(c3ccccc3)C2)[nH]1 ZINC000277211228 522438010 /nfs/dbraw/zinc/43/80/10/522438010.db2.gz KHRAKRWMTDMPCP-KCNJBTMXSA-N 0 1 298.434 3.915 20 0 CHADMN COc1cc(CN[C@H](C)c2cnc3ccsc3c2)ccn1 ZINC000068692006 522486180 /nfs/dbraw/zinc/48/61/80/522486180.db2.gz WBRVBMXIYVXXEF-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN CC[C@@H](CNCc1ccc(Oc2ccccc2)o1)OC ZINC000353121660 522548601 /nfs/dbraw/zinc/54/86/01/522548601.db2.gz PBFAMZLLBUPZFB-ZDUSSCGKSA-N 0 1 275.348 3.587 20 0 CHADMN COC1(C)CCN(Cc2cnc(C3CCCC3)s2)CC1 ZINC000354745619 522569264 /nfs/dbraw/zinc/56/92/64/522569264.db2.gz YLMDBSKTEOESQF-UHFFFAOYSA-N 0 1 294.464 3.802 20 0 CHADMN CC[C@H](NCc1c[nH]nc1C)c1cccc(Cl)c1F ZINC000274006337 522639557 /nfs/dbraw/zinc/63/95/57/522639557.db2.gz AOOYCTJAZLKRLK-ZDUSSCGKSA-N 0 1 281.762 3.752 20 0 CHADMN CC[C@H](NCc1ccc(COC)cc1)c1nc(C)cs1 ZINC000339084116 522646364 /nfs/dbraw/zinc/64/63/64/522646364.db2.gz PXADEKXJQKZRMA-HNNXBMFYSA-N 0 1 290.432 3.839 20 0 CHADMN CC[C@H](NCc1ccc(OC)c(O)c1)c1cccc(F)c1 ZINC000187921306 522650428 /nfs/dbraw/zinc/65/04/28/522650428.db2.gz QCRWLMVFDQKYEN-HNNXBMFYSA-N 0 1 289.350 3.781 20 0 CHADMN CC[C@H](NCc1ccsc1C)c1c(C)noc1C ZINC000339325522 522662044 /nfs/dbraw/zinc/66/20/44/522662044.db2.gz MPEGMJNYUVMLDS-ZDUSSCGKSA-N 0 1 264.394 3.902 20 0 CHADMN CC[C@H](NCc1n[nH]cc1C)c1ccc(Cl)s1 ZINC000289618235 522668183 /nfs/dbraw/zinc/66/81/83/522668183.db2.gz WCXDODUEKNARET-VIFPVBQESA-N 0 1 269.801 3.674 20 0 CHADMN CC[C@H](NCc1ncccc1N(C)C)c1cccc(C)c1 ZINC000289688256 522670567 /nfs/dbraw/zinc/67/05/67/522670567.db2.gz IAUWHPJWOOBEDX-INIZCTEOSA-N 0 1 283.419 3.697 20 0 CHADMN CC[C@H](NCc1nc(C)cs1)c1cccs1 ZINC000038090851 522670592 /nfs/dbraw/zinc/67/05/92/522670592.db2.gz BTMZBNMOUOJNBJ-JTQLQIEISA-N 0 1 252.408 3.754 20 0 CHADMN CC[C@H](NCc1ncccc1N(C)C)c1cccc(F)c1 ZINC000289719436 522671920 /nfs/dbraw/zinc/67/19/20/522671920.db2.gz JOCSIYGSKSJESW-HNNXBMFYSA-N 0 1 287.382 3.528 20 0 CHADMN Clc1ccsc1CN1CCC(OC2CCC2)CC1 ZINC000418094093 534655382 /nfs/dbraw/zinc/65/53/82/534655382.db2.gz RNJLZTGAUOIUQA-UHFFFAOYSA-N 0 1 285.840 3.935 20 0 CHADMN CC[C@H](N[C@H](C)c1cc(C)ccn1)c1c(C)nn(C)c1C ZINC000353526356 522736264 /nfs/dbraw/zinc/73/62/64/522736264.db2.gz AJUNLKDRAIJIJG-DOMZBBRYSA-N 0 1 286.423 3.542 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@@H]3CCCC3(C)C)cc2[nH]1 ZINC000332194734 534663921 /nfs/dbraw/zinc/66/39/21/534663921.db2.gz BRXYNPBGWRTXLR-LBPRGKRZSA-N 0 1 271.364 3.636 20 0 CHADMN CCc1noc(C)c1CNCc1cccc(OC(C)C)c1 ZINC000293127775 522846281 /nfs/dbraw/zinc/84/62/81/522846281.db2.gz ZPNKNDZWSBHXJP-UHFFFAOYSA-N 0 1 288.391 3.622 20 0 CHADMN CC[C@@H](NCc1cccnc1)c1cc(Cl)ccc1OC ZINC000151079932 522883962 /nfs/dbraw/zinc/88/39/62/522883962.db2.gz IWKFGXKQWWWZIR-OAHLLOKOSA-N 0 1 290.794 3.985 20 0 CHADMN CC[C@@H](NCc1n[nH]c(C(C)C)n1)c1ccc(Cl)cc1 ZINC000293118167 522892170 /nfs/dbraw/zinc/89/21/70/522892170.db2.gz KGVDVNGFWWYGEL-CYBMUJFWSA-N 0 1 292.814 3.822 20 0 CHADMN CC[C@@H](NCc1nc(C)cs1)c1cccs1 ZINC000038090852 522893040 /nfs/dbraw/zinc/89/30/40/522893040.db2.gz BTMZBNMOUOJNBJ-SNVBAGLBSA-N 0 1 252.408 3.754 20 0 CHADMN COCc1ccc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)cc1 ZINC000078543888 522986879 /nfs/dbraw/zinc/98/68/79/522986879.db2.gz MLATXROJZUDLQR-SUMWQHHRSA-N 0 1 285.387 3.839 20 0 CHADMN CC[C@H]1CCCCCN1Cc1noc(-c2ccsc2)n1 ZINC000157329612 522996985 /nfs/dbraw/zinc/99/69/85/522996985.db2.gz BJPNHVSRNBMGOW-ZDUSSCGKSA-N 0 1 291.420 3.953 20 0 CHADMN COCc1cccc(CNC(C)(C)c2ccccc2F)c1 ZINC000291756650 523052277 /nfs/dbraw/zinc/05/22/77/523052277.db2.gz QTXZBLHRXYPRQE-UHFFFAOYSA-N 0 1 287.378 3.997 20 0 CHADMN CC[C@H]1CCCC[C@H]1NC(=O)c1cccc2nc(C)[nH]c21 ZINC000338442151 523058706 /nfs/dbraw/zinc/05/87/06/523058706.db2.gz WVJFQZYHSMDPFE-GXTWGEPZSA-N 0 1 285.391 3.570 20 0 CHADMN CCc1sc(-c2nnc(CN3CC[C@H](C)C3)o2)cc1C ZINC000337698130 523064735 /nfs/dbraw/zinc/06/47/35/523064735.db2.gz VBASZKCGPDLWGW-JTQLQIEISA-N 0 1 291.420 3.511 20 0 CHADMN CC[C@@H]1CCCCCN1Cc1noc(-c2ccsc2)n1 ZINC000157329458 523145087 /nfs/dbraw/zinc/14/50/87/523145087.db2.gz BJPNHVSRNBMGOW-CYBMUJFWSA-N 0 1 291.420 3.953 20 0 CHADMN CC[C@@H]1CCCN1Cc1ccc(OC)c(Br)c1 ZINC000049595381 523269603 /nfs/dbraw/zinc/26/96/03/523269603.db2.gz JAIAGNVXZMWXDB-GFCCVEGCSA-N 0 1 298.224 3.832 20 0 CHADMN CN(Cc1coc(-c2cccs2)n1)CC1CCC1 ZINC000111299488 523522602 /nfs/dbraw/zinc/52/26/02/523522602.db2.gz ZEKBLDARYLLRPL-UHFFFAOYSA-N 0 1 262.378 3.635 20 0 CHADMN COCCN(Cc1c(C)noc1C)[C@H](C)c1ccccc1 ZINC000299383514 523738114 /nfs/dbraw/zinc/73/81/14/523738114.db2.gz HRYWCSRZMNCXHL-CQSZACIVSA-N 0 1 288.391 3.501 20 0 CHADMN COCCN(Cc1ccc(C)o1)Cc1cc(C)ccc1C ZINC000339229089 523749541 /nfs/dbraw/zinc/74/95/41/523749541.db2.gz HVUOGMJKJPOBRK-UHFFFAOYSA-N 0 1 287.403 3.853 20 0 CHADMN CC[C@H](C(=O)Nc1ccccc1)N(C)Cc1ccccc1 ZINC000339236808 523804256 /nfs/dbraw/zinc/80/42/56/523804256.db2.gz IMEYFFBBSWNBSC-QGZVFWFLSA-N 0 1 282.387 3.536 20 0 CHADMN CC[C@H](C)CN(C)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000111253643 523868879 /nfs/dbraw/zinc/86/88/79/523868879.db2.gz UWIAXFDMPOHVQY-LBPRGKRZSA-N 0 1 273.380 3.523 20 0 CHADMN CCc1ccc(NC(=O)c2cccc3nc(C)[nH]c32)cc1F ZINC000338550474 523992183 /nfs/dbraw/zinc/99/21/83/523992183.db2.gz BXNAVUSFIDIGOM-UHFFFAOYSA-N 0 1 297.333 3.825 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cccc3c2OCCO3)cc1 ZINC000121573664 524026223 /nfs/dbraw/zinc/02/62/23/524026223.db2.gz AKRPFZNOJFTVLS-CQSZACIVSA-N 0 1 297.398 3.871 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(Cl)cn2)cc1 ZINC000274929992 524074458 /nfs/dbraw/zinc/07/44/58/524074458.db2.gz QQXFLEYNRYJFKX-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc(C)oc2C)c(OC)c1 ZINC000044729275 524074487 /nfs/dbraw/zinc/07/44/87/524074487.db2.gz BLHDVUDDNMZZJL-LBPRGKRZSA-N 0 1 289.375 3.764 20 0 CHADMN Cc1cc(C(C)(C)C)cc(C)c1C[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000042707196 524199436 /nfs/dbraw/zinc/19/94/36/524199436.db2.gz WDIVMSRVBHQFMO-AWEZNQCLSA-N 0 1 291.435 3.753 20 0 CHADMN Cc1ccc(C)c([C@@H]2CCC[N@H+]2CCCCC(=O)[O-])c1 ZINC000263578932 524206959 /nfs/dbraw/zinc/20/69/59/524206959.db2.gz TZCLREQBKLTEMN-INIZCTEOSA-N 0 1 275.392 3.695 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN(C)CC1CCC1 ZINC000111296300 524232376 /nfs/dbraw/zinc/23/23/76/524232376.db2.gz ACKVLJPAYNXRMU-UHFFFAOYSA-N 0 1 288.435 3.789 20 0 CHADMN C[C@@H]1CCCN(Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000062649498 524238244 /nfs/dbraw/zinc/23/82/44/524238244.db2.gz XYOZNZBVMJARMR-LLVKDONJSA-N 0 1 291.782 3.622 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCCC1 ZINC000052858168 524238693 /nfs/dbraw/zinc/23/86/93/524238693.db2.gz KRRBVCUAEUZRLO-CQSZACIVSA-N 0 1 274.408 3.541 20 0 CHADMN C[C@H]1CCN(Cc2nc3ccccc3n2C(F)F)[C@H]1C ZINC000248345676 524301843 /nfs/dbraw/zinc/30/18/43/524301843.db2.gz NBENCWBOSSYYLG-QWRGUYRKSA-N 0 1 279.334 3.662 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)NCc1ccc(F)cc1 ZINC000037089705 524328879 /nfs/dbraw/zinc/32/88/79/524328879.db2.gz MDYXETPMAFIXPY-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)N[C@@H](C)c1cccnc1 ZINC000037089909 524330020 /nfs/dbraw/zinc/33/00/20/524330020.db2.gz SECXYQGBASDSCG-NWDGAFQWSA-N 0 1 274.339 3.641 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1nc(-c2ccsc2)no1 ZINC000075020933 524363785 /nfs/dbraw/zinc/36/37/85/524363785.db2.gz LKSMIDSWOAQTPF-PHIMTYICSA-N 0 1 277.393 3.561 20 0 CHADMN Cc1csc(C(=O)Nc2ccc3nc[nH]c3c2)c1Cl ZINC000352629721 534789928 /nfs/dbraw/zinc/78/99/28/534789928.db2.gz JSGMITMOQOKAGF-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN Cc1ccc(CNCc2ccc(F)cc2F)s1 ZINC000048068755 524584114 /nfs/dbraw/zinc/58/41/14/524584114.db2.gz MRFQQGNLNQHEOC-UHFFFAOYSA-N 0 1 253.317 3.625 20 0 CHADMN C[C@H]1CN(Cc2cnc3ccccc3c2)CCC1(F)F ZINC000290002651 524642458 /nfs/dbraw/zinc/64/24/58/524642458.db2.gz ZDPWOHHAMYKFFJ-LBPRGKRZSA-N 0 1 276.330 3.712 20 0 CHADMN Cc1cccc(NCCc2ccc(Cl)s2)n1 ZINC000226998601 524676896 /nfs/dbraw/zinc/67/68/96/524676896.db2.gz NIGYJNCWIMOZKE-UHFFFAOYSA-N 0 1 252.770 3.760 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)[C@@H]2c2cccc(F)c2)ncn1 ZINC000292365689 524704727 /nfs/dbraw/zinc/70/47/27/524704727.db2.gz GCPLGFAYWUMODC-SJKOYZFVSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1cc(CN2CC[C@H](c3ccc(C)cc3C)C2)no1 ZINC000280613861 524710665 /nfs/dbraw/zinc/71/06/65/524710665.db2.gz XWPBLMAJQJOWHB-HNNXBMFYSA-N 0 1 270.376 3.589 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@H]2c2ccccc2F)ncn1 ZINC000292513006 524716447 /nfs/dbraw/zinc/71/64/47/524716447.db2.gz NMMLADDQTNXWDR-PXAZEXFGSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)c1ccc2cncn2c1 ZINC000339886241 524754541 /nfs/dbraw/zinc/75/45/41/524754541.db2.gz BNGMTJCEBFNOBJ-UHFFFAOYSA-N 0 1 285.734 3.548 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc3c(c2)CCCC3)on1 ZINC000044299473 524765348 /nfs/dbraw/zinc/76/53/48/524765348.db2.gz YUXCWZFBTNXKQM-ZDUSSCGKSA-N 0 1 270.376 3.713 20 0 CHADMN Cc1cc(CNc2ccc3c[nH]nc3c2)ccc1F ZINC000050545461 524789678 /nfs/dbraw/zinc/78/96/78/524789678.db2.gz JTPPRQKYCHPJFQ-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN Cc1ccc(F)c(N[C@H](c2cccs2)c2nnc[nH]2)c1 ZINC000340345042 524827454 /nfs/dbraw/zinc/82/74/54/524827454.db2.gz GLVWIYQCMSCGDT-CYBMUJFWSA-N 0 1 288.351 3.515 20 0 CHADMN COc1ccc(OC)c(CNC(C)(C)c2ccccc2)c1 ZINC000299463218 524836291 /nfs/dbraw/zinc/83/62/91/524836291.db2.gz GGWZPWWJTSECMP-UHFFFAOYSA-N 0 1 285.387 3.729 20 0 CHADMN COc1ccc(OC)c(CNCc2ccc(Cl)s2)c1 ZINC000070210888 524837095 /nfs/dbraw/zinc/83/70/95/524837095.db2.gz RZLCAHILFUTRQF-UHFFFAOYSA-N 0 1 297.807 3.709 20 0 CHADMN COc1ccnc(NCc2cc(C)cc(Cl)c2)c1 ZINC000339327211 524848274 /nfs/dbraw/zinc/84/82/74/524848274.db2.gz BHVKCEPGESYQHW-UHFFFAOYSA-N 0 1 262.740 3.664 20 0 CHADMN COc1ccncc1CN[C@@H]1CCC(C)(C)c2ccccc21 ZINC000340402737 524859011 /nfs/dbraw/zinc/85/90/11/524859011.db2.gz HRBDOGHZDFBYFR-QGZVFWFLSA-N 0 1 296.414 3.993 20 0 CHADMN COc1ccsc1CNCc1cccc(CSC)c1 ZINC000275606800 524878301 /nfs/dbraw/zinc/87/83/01/524878301.db2.gz LWOBSJBGAYJOMB-UHFFFAOYSA-N 0 1 293.457 3.910 20 0 CHADMN COc1ccc(OC)c([C@@H](C)NCc2cccc(F)c2)c1 ZINC000020306488 524887689 /nfs/dbraw/zinc/88/76/89/524887689.db2.gz TUMOGWOXTIMINW-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@H]2NCc1ncccc1N(C)C ZINC000289556030 524964554 /nfs/dbraw/zinc/96/45/54/524964554.db2.gz AADBBXMSGAWBDE-GDBMZVCRSA-N 0 1 295.430 3.794 20 0 CHADMN Cc1cc(F)ccc1CNCc1ccc2c(n1)CCCC2 ZINC000277820449 524976673 /nfs/dbraw/zinc/97/66/73/524976673.db2.gz ZZOAFYFXCLWDQC-UHFFFAOYSA-N 0 1 284.378 3.698 20 0 CHADMN COc1ncccc1CN[C@@H](C)c1cccc(C2CC2)c1 ZINC000340173950 525059888 /nfs/dbraw/zinc/05/98/88/525059888.db2.gz MFQREVHVQDOIRS-ZDUSSCGKSA-N 0 1 282.387 3.818 20 0 CHADMN COc1ncccc1CN[C@H](c1ccccc1)C(C)C ZINC000037650170 525062823 /nfs/dbraw/zinc/06/28/23/525062823.db2.gz FRTKDKWHYGYDPK-INIZCTEOSA-N 0 1 270.376 3.577 20 0 CHADMN COc1ncccc1CN[C@H](C)c1ccc(SC)cc1 ZINC000037650399 525063323 /nfs/dbraw/zinc/06/33/23/525063323.db2.gz JXUNXCXZLKEQEO-GFCCVEGCSA-N 0 1 288.416 3.663 20 0 CHADMN Cc1ccccc1C(C)(C)c1nc([C@H](N)CC(C)C)no1 ZINC000339391206 525073246 /nfs/dbraw/zinc/07/32/46/525073246.db2.gz LMXJSMWWKNJJEJ-CQSZACIVSA-N 0 1 287.407 3.750 20 0 CHADMN C[C@H]1SCCN(Cc2ccncc2)[C@H]1c1ccccc1 ZINC000130632722 525075701 /nfs/dbraw/zinc/07/57/01/525075701.db2.gz DXROGWYIYOQUIK-RHSMWYFYSA-N 0 1 284.428 3.760 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cnc(C)s2)cc1 ZINC000098132359 525128489 /nfs/dbraw/zinc/12/84/89/525128489.db2.gz ZLYOGLSWROYDAP-LLVKDONJSA-N 0 1 276.405 3.653 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H]2CCCc3occc32)cc1O ZINC000289617693 525160545 /nfs/dbraw/zinc/16/05/45/525160545.db2.gz GQEUGUWTLBJTNV-BXUZGUMPSA-N 0 1 287.359 3.722 20 0 CHADMN Cc1ccccc1N(C(=O)c1ccc2cncn2c1)C(C)C ZINC000340738158 525213469 /nfs/dbraw/zinc/21/34/69/525213469.db2.gz OWJDUSBCBQPDFX-UHFFFAOYSA-N 0 1 293.370 3.698 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H](CCO)c2ccco2)c2ccccc21 ZINC000290013292 525275331 /nfs/dbraw/zinc/27/53/31/525275331.db2.gz BVJGBSLUWAQBEB-DAXOMENPSA-N 0 1 271.360 3.541 20 0 CHADMN COc1ccc([C@H](C)NCc2cccc(F)c2)c(F)c1 ZINC000037246874 525324578 /nfs/dbraw/zinc/32/45/78/525324578.db2.gz ZPLQFOYIGNVCRL-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccncc2F)cc1 ZINC000338010901 525333608 /nfs/dbraw/zinc/33/36/08/525333608.db2.gz GQEYECCMALKFJZ-NWDGAFQWSA-N 0 1 274.339 3.641 20 0 CHADMN CSC1(CNCc2coc(-c3ccc(C)cc3)n2)CC1 ZINC000278595017 525334199 /nfs/dbraw/zinc/33/41/99/525334199.db2.gz HIOBNXFRJQYLBM-UHFFFAOYSA-N 0 1 288.416 3.635 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cccnc2)c(F)c1 ZINC000037228952 525334361 /nfs/dbraw/zinc/33/43/61/525334361.db2.gz YCYCMUAQNZKNCR-NEPJUHHUSA-N 0 1 274.339 3.641 20 0 CHADMN COc1ccc([C@H](NCc2ccco2)C(C)C)cc1 ZINC000061556346 525374325 /nfs/dbraw/zinc/37/43/25/525374325.db2.gz VGWGYCWFZNVHBV-MRXNPFEDSA-N 0 1 259.349 3.775 20 0 CHADMN COc1ccc([C@H](NCc2nc(C)cs2)C2CC2)cc1 ZINC000038091070 525374522 /nfs/dbraw/zinc/37/45/22/525374522.db2.gz USLNYCFDAWPADP-MRXNPFEDSA-N 0 1 288.416 3.701 20 0 CHADMN C[C@@H](NC1CC(F)(F)C1)c1ccc(F)cc1Cl ZINC000277044701 525394330 /nfs/dbraw/zinc/39/43/30/525394330.db2.gz GOKLXEWIGNHZOI-SSDOTTSWSA-N 0 1 263.690 3.927 20 0 CHADMN C[C@@H](NC1(c2ccccc2)CCC1)c1ccncc1F ZINC000340322813 525395112 /nfs/dbraw/zinc/39/51/12/525395112.db2.gz DSETYUTYOSXQRP-CYBMUJFWSA-N 0 1 270.351 3.951 20 0 CHADMN Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2nnc(C(C)C)o2)C1 ZINC000076387226 525445239 /nfs/dbraw/zinc/44/52/39/525445239.db2.gz JWQUZVIMORYXJK-CABCVRRESA-N 0 1 299.418 3.879 20 0 CHADMN C[C@H](NCc1cccc(O)c1)c1ccccc1OC(F)F ZINC000035231551 525457958 /nfs/dbraw/zinc/45/79/58/525457958.db2.gz KFHHKQZHWCNHJN-NSHDSACASA-N 0 1 293.313 3.844 20 0 CHADMN C[C@H](NCc1ccnc(N2CCCC2)c1)c1ccccc1F ZINC000131351360 525471725 /nfs/dbraw/zinc/47/17/25/525471725.db2.gz YKGJCTFNHYUSIQ-AWEZNQCLSA-N 0 1 299.393 3.672 20 0 CHADMN C[C@H](NCc1cncs1)c1cccc(Cl)c1 ZINC000054770159 525479885 /nfs/dbraw/zinc/47/98/85/525479885.db2.gz PWVWEODSNYLQLX-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN C[C@@H]1C[C@H]1[C@H](NCc1ccn(C)n1)c1ccc(Cl)cc1 ZINC000266154189 525500973 /nfs/dbraw/zinc/50/09/73/525500973.db2.gz LJAFBRUXILZDLD-HFBAOOFYSA-N 0 1 289.810 3.560 20 0 CHADMN Cc1cc([C@H](C)NCCCO[C@@H](C)c2ccccc2)no1 ZINC000289701682 525514746 /nfs/dbraw/zinc/51/47/46/525514746.db2.gz KJOQFLAWMFXQIU-GJZGRUSLSA-N 0 1 288.391 3.802 20 0 CHADMN Cc1cc([C@H](C)NCCc2ccc(Cl)s2)no1 ZINC000285416524 525518155 /nfs/dbraw/zinc/51/81/55/525518155.db2.gz XZOCQDMAYONLBL-VIFPVBQESA-N 0 1 270.785 3.591 20 0 CHADMN C[C@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(Cl)s1 ZINC000280177859 525563567 /nfs/dbraw/zinc/56/35/67/525563567.db2.gz RNATYROQNOBWHC-GXSJLCMTSA-N 0 1 295.839 3.863 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@H](C)c1cccs1)CCO2 ZINC000037235426 525578434 /nfs/dbraw/zinc/57/84/34/525578434.db2.gz SLNCJZLVSVKJNL-RISCZKNCSA-N 0 1 289.400 3.931 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)CCC(C)(C)C ZINC000276671925 525585051 /nfs/dbraw/zinc/58/50/51/525585051.db2.gz GYUQLUXFJYTAQB-UHFFFAOYSA-N 0 1 259.353 3.636 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1cc(F)cc(F)c1 ZINC000359229036 525619498 /nfs/dbraw/zinc/61/94/98/525619498.db2.gz HOMHFLUCXYVCCV-ZJUUUORDSA-N 0 1 280.293 3.911 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C)[C@H]2CCCC[C@H]2C)c1 ZINC000338675712 525631595 /nfs/dbraw/zinc/63/15/95/525631595.db2.gz MFGHACLQZKCPEP-DOMZBBRYSA-N 0 1 285.391 3.522 20 0 CHADMN C[C@H](N[C@H]1C[C@H](c2cccc(F)c2)C1)c1cscn1 ZINC000280882281 525639899 /nfs/dbraw/zinc/63/98/99/525639899.db2.gz PENNPMBWRMPVJO-JKOKRWQUSA-N 0 1 276.380 3.879 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H](C)Sc2sccc21)c1cnn(C)c1 ZINC000163872372 525652225 /nfs/dbraw/zinc/65/22/25/525652225.db2.gz WNCQSVPZHKKVFN-OPQQBVKSSA-N 0 1 293.461 3.758 20 0 CHADMN C[C@@H]1[C@H](C)OCCN1Cc1csc2ccccc12 ZINC000156068372 525690175 /nfs/dbraw/zinc/69/01/75/525690175.db2.gz ZKBVITMLMDVTOV-NEPJUHHUSA-N 0 1 261.390 3.511 20 0 CHADMN CSCc1cccc(CN[C@H](C)c2cncs2)c1 ZINC000275709972 525739485 /nfs/dbraw/zinc/73/94/85/525739485.db2.gz LYSYORQQBVNYRV-LLVKDONJSA-N 0 1 278.446 3.857 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc3c(c2)OCCO3)o1 ZINC000036960159 525742085 /nfs/dbraw/zinc/74/20/85/525742085.db2.gz HTUWSUWWHWUZEI-QWHCGFSZSA-N 0 1 287.359 3.771 20 0 CHADMN C[C@H](O)CN1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000337209497 525748718 /nfs/dbraw/zinc/74/87/18/525748718.db2.gz SCHUPTSZTYISQV-FZMZJTMJSA-N 0 1 287.325 3.613 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1cnc2ccccc2c1 ZINC000337214923 525764361 /nfs/dbraw/zinc/76/43/61/525764361.db2.gz XXJSAIBINOQPRI-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN C[C@@H](O)CN1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000337209498 525789238 /nfs/dbraw/zinc/78/92/38/525789238.db2.gz SCHUPTSZTYISQV-RISCZKNCSA-N 0 1 287.325 3.613 20 0 CHADMN Cc1ccc([C@@H]2CSCCN2Cc2ccncc2)cc1 ZINC000130628422 525843224 /nfs/dbraw/zinc/84/32/24/525843224.db2.gz AEWXJMURRKKAFU-KRWDZBQOSA-N 0 1 284.428 3.680 20 0 CHADMN Cc1ccc(-c2nnc(CN(C)CCC(C)C)o2)cc1 ZINC000052246213 525844571 /nfs/dbraw/zinc/84/45/71/525844571.db2.gz UUEFZCKJMMJEMG-UHFFFAOYSA-N 0 1 273.380 3.523 20 0 CHADMN COc1cccc(C2(N[C@@H](C)c3cnccc3C)CC2)c1 ZINC000272170148 525851313 /nfs/dbraw/zinc/85/13/13/525851313.db2.gz DELMYQDJCSSMQL-AWEZNQCLSA-N 0 1 282.387 3.739 20 0 CHADMN Cc1ccc([C@H]2CCN(Cc3nc(C4CC4)no3)C2)c(C)c1 ZINC000280245599 526017175 /nfs/dbraw/zinc/01/71/75/526017175.db2.gz BSXBPBGMKVVTLX-HNNXBMFYSA-N 0 1 297.402 3.553 20 0 CHADMN Cc1cnc(CN2CCC[C@H](c3ccccc3)CC2)nc1 ZINC000340852637 526020752 /nfs/dbraw/zinc/02/07/52/526020752.db2.gz UNNBRDXNONVXCX-KRWDZBQOSA-N 0 1 281.403 3.555 20 0 CHADMN Cc1cn[nH]c1CN(Cc1ccco1)Cc1cccs1 ZINC000290484331 526021330 /nfs/dbraw/zinc/02/13/30/526021330.db2.gz RFCUPIGABHFQBC-UHFFFAOYSA-N 0 1 287.388 3.575 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226454495 526030659 /nfs/dbraw/zinc/03/06/59/526030659.db2.gz SZWBWQVTGDJRBT-RYUDHWBXSA-N 0 1 297.345 3.603 20 0 CHADMN Cc1c[nH]nc1CN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000289714125 526034003 /nfs/dbraw/zinc/03/40/03/526034003.db2.gz CMKWQPJNXLMNSI-OAHLLOKOSA-N 0 1 275.371 3.734 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(OC(C)C)cc1Cl ZINC000289408593 526035393 /nfs/dbraw/zinc/03/53/93/526035393.db2.gz BEPDJCXHVRVELX-UHFFFAOYSA-N 0 1 279.771 3.771 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC(n2ccnc2)CC1 ZINC000111244121 526038168 /nfs/dbraw/zinc/03/81/68/526038168.db2.gz WFGOSKFZFILXEQ-GFCCVEGCSA-N 0 1 291.345 3.559 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)N(Cc3nc(C4CC4)no3)C2)cc1 ZINC000278390386 526040474 /nfs/dbraw/zinc/04/04/74/526040474.db2.gz DTHLHBMZFXGKDZ-BBRMVZONSA-N 0 1 297.402 3.633 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1Cl)N(C)CCCCO ZINC000264029926 526046994 /nfs/dbraw/zinc/04/69/94/526046994.db2.gz ZQJAROIOMUPIOB-JTQLQIEISA-N 0 1 276.207 3.759 20 0 CHADMN C[C@H](c1ccc(Cl)cc1Cl)N(C)CCCCO ZINC000264029928 526052718 /nfs/dbraw/zinc/05/27/18/526052718.db2.gz ZQJAROIOMUPIOB-SNVBAGLBSA-N 0 1 276.207 3.759 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC(c2ncc[nH]2)CC1 ZINC000265483067 526063164 /nfs/dbraw/zinc/06/31/64/526063164.db2.gz LIRQYPWVCSMUDX-LLVKDONJSA-N 0 1 291.345 3.629 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C3CCCC3)[nH]c2c1 ZINC000299402037 526104601 /nfs/dbraw/zinc/10/46/01/526104601.db2.gz GSSQGTGVVSXMBI-INIZCTEOSA-N 0 1 297.402 3.725 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N(C)CC1CCC1 ZINC000111298684 526170150 /nfs/dbraw/zinc/17/01/50/526170150.db2.gz LSBAWXJBXUTRRA-SNVBAGLBSA-N 0 1 277.393 3.591 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1ccc(C)nc1 ZINC000337305451 526186542 /nfs/dbraw/zinc/18/65/42/526186542.db2.gz RJJKMCSFSLOERU-CYBMUJFWSA-N 0 1 272.417 3.963 20 0 CHADMN C[C@H](c1noc(-c2ccc(O)c(Cl)c2)n1)C1CC1 ZINC000278214978 526194903 /nfs/dbraw/zinc/19/49/03/526194903.db2.gz WMWJQIFHGRPWAD-ZETCQYMHSA-N 0 1 264.712 3.609 20 0 CHADMN Cc1ccc2nc(CN[C@H]3CCCc4ccccc43)cn2c1 ZINC000263859406 526249181 /nfs/dbraw/zinc/24/91/81/526249181.db2.gz HVHYIOFWDFKYIV-SFHVURJKSA-N 0 1 291.398 3.810 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C(=O)C3CC=CC3)[nH]c2c1 ZINC000077740010 526255916 /nfs/dbraw/zinc/25/59/16/526255916.db2.gz SWBSKSBDPHLYRX-MRXNPFEDSA-N 0 1 295.386 3.501 20 0 CHADMN FC1(F)CC(NCc2ccc(-c3ccccc3)o2)C1 ZINC000277361433 526272177 /nfs/dbraw/zinc/27/21/77/526272177.db2.gz ATNATKAIOFRGQT-UHFFFAOYSA-N 0 1 263.287 3.834 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC1CCCCCC1 ZINC000227228055 526290378 /nfs/dbraw/zinc/29/03/78/526290378.db2.gz LFHUKVJSVZEAAY-JYJNAYRXSA-N 0 1 279.424 3.675 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC1CCCCCC1 ZINC000227228069 526291201 /nfs/dbraw/zinc/29/12/01/526291201.db2.gz LFHUKVJSVZEAAY-PMPSAXMXSA-N 0 1 279.424 3.675 20 0 CHADMN Oc1cccc2c1CC[C@H]2NCc1ccc(Cl)s1 ZINC000070941064 526368269 /nfs/dbraw/zinc/36/82/69/526368269.db2.gz WRFWMLKPYMTRFM-GFCCVEGCSA-N 0 1 279.792 3.884 20 0 CHADMN Fc1ccc2c(c1)nccc2NC[C@@H]1CCCSC1 ZINC000340937312 526375284 /nfs/dbraw/zinc/37/52/84/526375284.db2.gz KIXYMMDLHZKOBM-NSHDSACASA-N 0 1 276.380 3.929 20 0 CHADMN c1ccc2c(c1)COC[C@H]2NCc1ccc2ncccc2c1 ZINC000340510415 526507626 /nfs/dbraw/zinc/50/76/26/526507626.db2.gz VIICEYDPWFMHDJ-LJQANCHMSA-N 0 1 290.366 3.596 20 0 CHADMN Cc1nc(CN[C@H](c2oc3ccccc3c2C)C(C)C)n[nH]1 ZINC000293156967 526526062 /nfs/dbraw/zinc/52/60/62/526526062.db2.gz MTWNQVIGUBNUSL-INIZCTEOSA-N 0 1 298.390 3.655 20 0 CHADMN c1cn2cc(CN[C@H]3CCCc4ccccc43)nc2s1 ZINC000126650700 526539011 /nfs/dbraw/zinc/53/90/11/526539011.db2.gz OVOLVIKGTYVEOD-HNNXBMFYSA-N 0 1 283.400 3.563 20 0 CHADMN Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1cccc([O-])c1Cl ZINC000293331509 526566087 /nfs/dbraw/zinc/56/60/87/526566087.db2.gz RTDOTDCMOPVHDK-VIFPVBQESA-N 0 1 294.782 3.544 20 0 CHADMN c1csc(-c2noc([C@@H]3CCCN3C3CCCC3)n2)c1 ZINC000275745485 526577374 /nfs/dbraw/zinc/57/73/74/526577374.db2.gz WCYITSMPJCSHDQ-LBPRGKRZSA-N 0 1 289.404 3.878 20 0 CHADMN c1csc([C@H](Nc2nnc(C3CC3)o2)c2ccccc2)n1 ZINC000278520827 526588419 /nfs/dbraw/zinc/58/84/19/526588419.db2.gz YZMAYBUGZCRJOP-GFCCVEGCSA-N 0 1 298.371 3.605 20 0 CHADMN c1nc(CN2CCC[C@@H](c3ccccc3)C2)cs1 ZINC000353644939 526596332 /nfs/dbraw/zinc/59/63/32/526596332.db2.gz OBEWEKRPQDQMCX-CQSZACIVSA-N 0 1 258.390 3.523 20 0 CHADMN CC(C)(C)[C@@H]1CN(C(=O)c2ccc(CN)o2)c2ccccc21 ZINC000335030696 526676870 /nfs/dbraw/zinc/67/68/70/526676870.db2.gz OJMDQFZZAWUZBD-CQSZACIVSA-N 0 1 298.386 3.528 20 0 CHADMN O=C(c1cccs1)C1CCN([C@H]2C=CCCC2)CC1 ZINC000365833872 526834776 /nfs/dbraw/zinc/83/47/76/526834776.db2.gz QWWCTQMCDRWZGD-AWEZNQCLSA-N 0 1 275.417 3.752 20 0 CHADMN Cc1nc(CN2CCC[C@@H](Cc3ccccc3)C2)cs1 ZINC000340845103 526857812 /nfs/dbraw/zinc/85/78/12/526857812.db2.gz MSXBBCIGDSDIBD-INIZCTEOSA-N 0 1 286.444 3.906 20 0 CHADMN Cc1nc(CN[C@H](C)c2ccccc2C)sc1C ZINC000094965689 526893022 /nfs/dbraw/zinc/89/30/22/526893022.db2.gz DLCDPRVOQVAAMM-GFCCVEGCSA-N 0 1 260.406 3.919 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](c3ccncc3)C2)cn1 ZINC000289433551 526944618 /nfs/dbraw/zinc/94/46/18/526944618.db2.gz VWQQOODXSPGVCW-OAHLLOKOSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1nc(F)ccc1CNCc1ccc(C2CC2)cc1F ZINC000291646720 526946670 /nfs/dbraw/zinc/94/66/70/526946670.db2.gz CFCFPAJFVIYQGQ-UHFFFAOYSA-N 0 1 288.341 3.835 20 0 CHADMN Cc1nc(F)ccc1CN[C@@H]1CCCOc2ccccc21 ZINC000278554996 526946957 /nfs/dbraw/zinc/94/69/57/526946957.db2.gz VOXZXGANEBOKRZ-OAHLLOKOSA-N 0 1 286.350 3.533 20 0 CHADMN Clc1cccc(-c2noc([C@@H]3CCCN3C3CC3)n2)c1 ZINC000278997706 526973020 /nfs/dbraw/zinc/97/30/20/526973020.db2.gz LXAKTXDPAJOQSU-ZDUSSCGKSA-N 0 1 289.766 3.689 20 0 CHADMN Clc1cccc(-c2noc([C@H]3CCCN3C3CC3)n2)c1 ZINC000278997705 526973253 /nfs/dbraw/zinc/97/32/53/526973253.db2.gz LXAKTXDPAJOQSU-CYBMUJFWSA-N 0 1 289.766 3.689 20 0 CHADMN Clc1cccc(CN2CCCC3(CCC3)C2)n1 ZINC000366341262 526975737 /nfs/dbraw/zinc/97/57/37/526975737.db2.gz KFIWVEVEKGDGHL-UHFFFAOYSA-N 0 1 250.773 3.501 20 0 CHADMN Cc1nc2ccc(NC(=O)C3CCC(F)(F)CC3)cc2[nH]1 ZINC000340040238 527141936 /nfs/dbraw/zinc/14/19/36/527141936.db2.gz YWVRWHMSTLZNGW-UHFFFAOYSA-N 0 1 293.317 3.635 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@@H]2CCC(C)C)[nH]1 ZINC000338553243 527151767 /nfs/dbraw/zinc/15/17/67/527151767.db2.gz UDIDHCFUQCTYJN-CQSZACIVSA-N 0 1 299.418 3.912 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@@H](C)C3CCCCC3)c2[nH]1 ZINC000338572422 527153198 /nfs/dbraw/zinc/15/31/98/527153198.db2.gz AJDBMVIMVCCQAU-NSHDSACASA-N 0 1 285.391 3.570 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@@H](C)CCC(C)(C)C)c2[nH]1 ZINC000338574162 527153366 /nfs/dbraw/zinc/15/33/66/527153366.db2.gz UWQKVTYJDVMQAR-NSHDSACASA-N 0 1 287.407 3.816 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)C1CC=CC1 ZINC000076984866 527263351 /nfs/dbraw/zinc/26/33/51/527263351.db2.gz KCDVODRPHMSUDM-UHFFFAOYSA-N 0 1 281.359 3.735 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2ccc(OC(F)F)cc2)s1 ZINC000040437494 527275014 /nfs/dbraw/zinc/27/50/14/527275014.db2.gz MSGUAGZZSKEMAY-VIFPVBQESA-N 0 1 298.358 3.904 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2nccc3ccccc32)s1 ZINC000289714895 527275997 /nfs/dbraw/zinc/27/59/97/527275997.db2.gz LANZGNGNFJIDGJ-NSHDSACASA-N 0 1 283.400 3.851 20 0 CHADMN Cc1ncc(CNc2ccc(CN(C)C)c(Cl)c2)s1 ZINC000280272311 527280991 /nfs/dbraw/zinc/28/09/91/527280991.db2.gz MSCGPRVETNRXIN-UHFFFAOYSA-N 0 1 295.839 3.779 20 0 CHADMN Cc1nccc(N2CCS[C@@H](C(C)C)C2)c1Cl ZINC000357310893 527348277 /nfs/dbraw/zinc/34/82/77/527348277.db2.gz UIZMHDNWGLBINR-GFCCVEGCSA-N 0 1 270.829 3.621 20 0 CHADMN Cn1ccnc1CN[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000263881244 527435079 /nfs/dbraw/zinc/43/50/79/527435079.db2.gz CUIMODYEBIXKBY-QGZVFWFLSA-N 0 1 287.382 3.580 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000187885435 527454789 /nfs/dbraw/zinc/45/47/89/527454789.db2.gz RDIPCYGNCLTADR-IAQYHMDHSA-N 0 1 287.794 3.777 20 0 CHADMN C(c1nnc(C2CC2)s1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000336197601 527496045 /nfs/dbraw/zinc/49/60/45/527496045.db2.gz GMAIBRJGWMKWQE-YPMHNXCESA-N 0 1 277.437 3.570 20 0 CHADMN Cc1ncsc1CNCc1ccc(OC(C)C)cc1 ZINC000071212788 527510825 /nfs/dbraw/zinc/51/08/25/527510825.db2.gz FCEUIGFGRIFZSL-UHFFFAOYSA-N 0 1 276.405 3.529 20 0 CHADMN CC(C)(C(=O)Nc1ccc(Cl)c(Cl)c1)c1cnc[nH]1 ZINC000336044369 527537849 /nfs/dbraw/zinc/53/78/49/527537849.db2.gz SQMCKKOVNHXNLM-UHFFFAOYSA-N 0 1 298.173 3.633 20 0 CHADMN OCC[C@@H](NCc1ccc(Cl)cc1F)c1ccccc1 ZINC000275489044 527562217 /nfs/dbraw/zinc/56/22/17/527562217.db2.gz RYPSHUXCFQJFGO-MRXNPFEDSA-N 0 1 293.769 3.692 20 0 CHADMN OC[C@@H](N[C@H]1CCSc2ccccc21)c1ccccc1 ZINC000062999184 527583191 /nfs/dbraw/zinc/58/31/91/527583191.db2.gz YBFPFVQLAUDRRE-JKSUJKDBSA-N 0 1 285.412 3.547 20 0 CHADMN Cn1nccc1CNCc1ccc(C2CCCCC2)cc1 ZINC000292638342 527610771 /nfs/dbraw/zinc/61/07/71/527610771.db2.gz KAKVVRZXROWXAT-UHFFFAOYSA-N 0 1 283.419 3.758 20 0 CHADMN Cc1nn(C)c(C)c1CN(Cc1cccc(F)c1)C(C)C ZINC000299538784 527627277 /nfs/dbraw/zinc/62/72/77/527627277.db2.gz GOZMWWLNCOFFQZ-UHFFFAOYSA-N 0 1 289.398 3.587 20 0 CHADMN CC(C)(C)CCCCNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000355060597 527660623 /nfs/dbraw/zinc/66/06/23/527660623.db2.gz FAZWYGOMTGGZAD-UHFFFAOYSA-N 0 1 291.370 3.648 20 0 CHADMN Cc1nn(C)c(Cl)c1CN[C@@H]1CCCc2sccc21 ZINC000157908231 527667279 /nfs/dbraw/zinc/66/72/79/527667279.db2.gz XWBVIFMPTNCTBO-GFCCVEGCSA-N 0 1 295.839 3.611 20 0 CHADMN FC(F)(F)c1cc(NCc2cnc[nH]2)ccc1Cl ZINC000054763958 527680540 /nfs/dbraw/zinc/68/05/40/527680540.db2.gz JLKJXBIEPKNTOA-UHFFFAOYSA-N 0 1 275.661 3.694 20 0 CHADMN CC(C)CCN(CCC(C)C)Cc1nnc(C2CC2)[nH]1 ZINC000347394091 527719314 /nfs/dbraw/zinc/71/93/14/527719314.db2.gz ORWOKEOGFOXGIM-UHFFFAOYSA-N 0 1 278.444 3.576 20 0 CHADMN CC(C)CCn1cccc1CN1CCC[C@@H]2COCC[C@@H]21 ZINC000355100999 527886550 /nfs/dbraw/zinc/88/65/50/527886550.db2.gz BRZNXJUYUSESTR-AEFFLSMTSA-N 0 1 290.451 3.535 20 0 CHADMN CC(C)CN(C(=O)c1cccc2c[nH]nc21)C1CCCC1 ZINC000346066220 527906719 /nfs/dbraw/zinc/90/67/19/527906719.db2.gz ZPSUCQMWSKUWLM-UHFFFAOYSA-N 0 1 285.391 3.604 20 0 CHADMN CC(C)COc1ccc(CNCc2ccc(F)cn2)cc1 ZINC000344903865 528153708 /nfs/dbraw/zinc/15/37/08/528153708.db2.gz LNLXRKMLCIKBMN-UHFFFAOYSA-N 0 1 288.366 3.545 20 0 CHADMN CCOc1cc(C)ccc1CNCc1ccc(CC)nc1 ZINC000352747688 528245457 /nfs/dbraw/zinc/24/54/57/528245457.db2.gz GCCWBCKYVLAYBO-UHFFFAOYSA-N 0 1 284.403 3.641 20 0 CHADMN CC(C)[C@@H](C)N(Cc1ncc(Cl)s1)C1CC1 ZINC000351997848 528408765 /nfs/dbraw/zinc/40/87/65/528408765.db2.gz WAZAORFYWLETRM-SECBINFHSA-N 0 1 258.818 3.805 20 0 CHADMN CCN(CCC1CC1)Cc1csc(-c2ccccn2)n1 ZINC000355044225 528425552 /nfs/dbraw/zinc/42/55/52/528425552.db2.gz VIYGBPCXVJPPIG-UHFFFAOYSA-N 0 1 287.432 3.827 20 0 CHADMN CCN(CCC1CC1)Cc1nc(C2CC2)cs1 ZINC000355038435 528425813 /nfs/dbraw/zinc/42/58/13/528425813.db2.gz MMWZOBZDVTYJTF-UHFFFAOYSA-N 0 1 250.411 3.643 20 0 CHADMN CC(C)c1noc(CN[C@@H]2CCCCC23CCCC3)n1 ZINC000329803450 528501006 /nfs/dbraw/zinc/50/10/06/528501006.db2.gz JRVJANWPYJBMJO-CYBMUJFWSA-N 0 1 277.412 3.786 20 0 CHADMN CC(C)[C@@H](NCc1ccccc1)c1ccc(F)cn1 ZINC000353552069 528592066 /nfs/dbraw/zinc/59/20/66/528592066.db2.gz MPIGAOCHYDVQFL-MRXNPFEDSA-N 0 1 258.340 3.708 20 0 CHADMN CC(C)Cc1ccc(CN[C@@H](CO)c2ccsc2)cc1 ZINC000349657462 528651558 /nfs/dbraw/zinc/65/15/58/528651558.db2.gz VTKUZVORFOZSET-KRWDZBQOSA-N 0 1 289.444 3.770 20 0 CHADMN CCOc1cccc(CNC(C)(C)c2cccs2)n1 ZINC000344309624 528653625 /nfs/dbraw/zinc/65/36/25/528653625.db2.gz MEYCDOKZEYYZCC-UHFFFAOYSA-N 0 1 276.405 3.567 20 0 CHADMN CCCc1csc(CN2CC[C@@H](CC3CC3)C2)n1 ZINC000354530078 528666962 /nfs/dbraw/zinc/66/69/62/528666962.db2.gz UXHCMYDOCUXLKH-ZDUSSCGKSA-N 0 1 264.438 3.718 20 0 CHADMN CCCOc1cccc(C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000352639750 528735712 /nfs/dbraw/zinc/73/57/12/528735712.db2.gz IXDLEONGODNEQN-UHFFFAOYSA-N 0 1 295.342 3.604 20 0 CHADMN CCOc1ccccc1[C@H](CC)NCc1cncn1CC ZINC000417886298 528761282 /nfs/dbraw/zinc/76/12/82/528761282.db2.gz HLXCODJCPUEQDM-INIZCTEOSA-N 0 1 287.407 3.543 20 0 CHADMN CCCC[C@@H](C)NCc1csc([C@@H](C)OC)n1 ZINC000344741451 528765096 /nfs/dbraw/zinc/76/50/96/528765096.db2.gz RQGJESWXYSVKQC-GHMZBOCLSA-N 0 1 256.415 3.519 20 0 CHADMN CC(C)[C@@H]1N(Cc2ccc(Cl)o2)CC12CCOCC2 ZINC000334826955 528812341 /nfs/dbraw/zinc/81/23/41/528812341.db2.gz RISHPZHYCICDHX-AWEZNQCLSA-N 0 1 283.799 3.570 20 0 CHADMN CCN(Cc1ccccc1Cl)C[C@@H]1CC[C@@H](C)O1 ZINC000354899746 528839436 /nfs/dbraw/zinc/83/94/36/528839436.db2.gz VUHYKVHERQAEKX-OCCSQVGLSA-N 0 1 267.800 3.729 20 0 CHADMN CC1(C)CCC(CN2CCOC[C@@H]2CC(F)F)CC1 ZINC000353284228 528901068 /nfs/dbraw/zinc/90/10/68/528901068.db2.gz UKLZLKAQPPUUSQ-ZDUSSCGKSA-N 0 1 275.383 3.559 20 0 CHADMN CC1(C)CN(Cc2nnc(-c3ccco3)o2)CC(C)(C)C1 ZINC000332163410 529126146 /nfs/dbraw/zinc/12/61/46/529126146.db2.gz KGVFXIIKQKTRDC-UHFFFAOYSA-N 0 1 289.379 3.588 20 0 CHADMN CC[C@H](c1ccccc1)N(CC)Cc1n[nH]c(C2CC2)n1 ZINC000347404460 529181637 /nfs/dbraw/zinc/18/16/37/529181637.db2.gz WRTKCPQAGQDANA-OAHLLOKOSA-N 0 1 284.407 3.655 20 0 CHADMN CC[C@@H](N[C@@H](c1nccn1C)C1CC1)c1cccc(C)c1 ZINC000353861229 529202726 /nfs/dbraw/zinc/20/27/26/529202726.db2.gz AMUBEHJRWCFFNI-IAGOWNOFSA-N 0 1 283.419 3.921 20 0 CHADMN CCS[C@H]1CCCCN([C@H](C)c2nnc(C)s2)C1 ZINC000347295924 529225972 /nfs/dbraw/zinc/22/59/72/529225972.db2.gz JDOYAJYKOQWMCG-PWSUYJOCSA-N 0 1 285.482 3.515 20 0 CHADMN CC[C@H]1CN(Cc2c(C)oc3ccccc32)C[C@H](C)O1 ZINC000352721166 529296047 /nfs/dbraw/zinc/29/60/47/529296047.db2.gz ZSRMELJFTXIYMH-JSGCOSHPSA-N 0 1 273.376 3.741 20 0 CHADMN Brc1cccc2[nH]cc(CN3CCCCC3)c21 ZINC000048547011 567090098 /nfs/dbraw/zinc/09/00/98/567090098.db2.gz BOKKICTXIZMCNV-UHFFFAOYSA-N 0 1 293.208 3.916 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2cc3ccccc3n2C)on1 ZINC000216488713 570305612 /nfs/dbraw/zinc/30/56/12/570305612.db2.gz XZYXZPNUZKIXKZ-QGZVFWFLSA-N 0 1 295.386 3.812 20 0 CHADMN C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCCCC(=O)[O-] ZINC000181579470 597790593 /nfs/dbraw/zinc/79/05/93/597790593.db2.gz VBJFVEYGMNAPRR-LLVKDONJSA-N 0 1 292.404 3.544 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)C1 ZINC000040718679 599717429 /nfs/dbraw/zinc/71/74/29/599717429.db2.gz DRJQMQBASPFDKD-SECBINFHSA-N 0 1 293.363 3.580 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)C1 ZINC000040718681 599717644 /nfs/dbraw/zinc/71/76/44/599717644.db2.gz DRJQMQBASPFDKD-VIFPVBQESA-N 0 1 293.363 3.580 20 0 CHADMN CC[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000071264713 600082099 /nfs/dbraw/zinc/08/20/99/600082099.db2.gz UCMDEXSALQMUNY-UHFFFAOYSA-N 0 1 287.334 3.546 20 0 CHADMN C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000071264906 600083494 /nfs/dbraw/zinc/08/34/94/600083494.db2.gz DBTLMLKGJWDFFI-RISCZKNCSA-N 0 1 279.355 3.534 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000569700830 600143590 /nfs/dbraw/zinc/14/35/90/600143590.db2.gz IYPSFIWKIAHVBS-GFCCVEGCSA-N 0 1 287.359 3.522 20 0 CHADMN Cc1cc(C)cc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000738363412 600210577 /nfs/dbraw/zinc/21/05/77/600210577.db2.gz HAORVNWUZDGTMZ-QGZVFWFLSA-N 0 1 283.371 3.561 20 0 CHADMN CCCC[N@@H+](CCCC(=O)[O-])[C@H](C)c1ccccc1 ZINC000116386640 600226824 /nfs/dbraw/zinc/22/68/24/600226824.db2.gz MYZCKJQNJCWGSH-CQSZACIVSA-N 0 1 263.381 3.715 20 0 CHADMN C[C@H](C[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000519545015 600404414 /nfs/dbraw/zinc/40/44/14/600404414.db2.gz KFBGLQWJVOOHGJ-PBHICJAKSA-N 0 1 283.371 3.548 20 0 CHADMN C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000736839500 600441386 /nfs/dbraw/zinc/44/13/86/600441386.db2.gz ALJIMRIDFWDCNF-GFCCVEGCSA-N 0 1 299.345 3.643 20 0 CHADMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(C(=O)[O-])oc1C ZINC000736950791 600448589 /nfs/dbraw/zinc/44/85/89/600448589.db2.gz RJXTUOQYBOHBDG-INIZCTEOSA-N 0 1 299.370 3.796 20 0 CHADMN C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000565102445 600643201 /nfs/dbraw/zinc/64/32/01/600643201.db2.gz FSKWSSMWNRIKCB-GOSISDBHSA-N 0 1 299.370 3.532 20 0 CHADMN C[C@]1(c2ccccc2)CCC[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC000515068035 600643362 /nfs/dbraw/zinc/64/33/62/600643362.db2.gz MURNAQLJTABETQ-SFHVURJKSA-N 0 1 299.370 3.532 20 0 CHADMN C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000573498734 600643372 /nfs/dbraw/zinc/64/33/72/600643372.db2.gz MAGOSZLGSXHHNB-GOSISDBHSA-N 0 1 299.370 3.532 20 0 CHADMN C[C@]1(c2ccccc2)CCC[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000580336159 600643463 /nfs/dbraw/zinc/64/34/63/600643463.db2.gz APNVVQAORMLRGI-SFHVURJKSA-N 0 1 299.370 3.532 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000583939801 600987980 /nfs/dbraw/zinc/98/79/80/600987980.db2.gz DAOHIDFPTLLJDG-CHWSQXEVSA-N 0 1 267.394 3.528 20 0 CHADMN C/C(=C/C[N@H+]1CCC[C@@H]1c1ccccc1Cl)C(=O)[O-] ZINC000825740935 601052382 /nfs/dbraw/zinc/05/23/82/601052382.db2.gz FERXAQQLPTVHSL-KOTGUFOOSA-N 0 1 279.767 3.508 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000827928469 601119073 /nfs/dbraw/zinc/11/90/73/601119073.db2.gz GQIDPRZIQZKPGY-NSHDSACASA-N 0 1 299.326 3.917 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000830355502 601412012 /nfs/dbraw/zinc/41/20/12/601412012.db2.gz OFRAFBIJMONSCY-HNNXBMFYSA-N 0 1 299.370 3.660 20 0 CHADMN C[N@H+](Cc1ccc(C(=O)[O-])c(F)c1)CC1CCCCC1 ZINC000234268512 601616572 /nfs/dbraw/zinc/61/65/72/601616572.db2.gz GJJORXJANWYZSM-UHFFFAOYSA-N 0 1 279.355 3.536 20 0 CHADMN CC(C)[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC000011862768 601633860 /nfs/dbraw/zinc/63/38/60/601633860.db2.gz OGGBFFGIBXVEML-UHFFFAOYSA-N 0 1 283.371 3.795 20 0 CHADMN CC[N@@H+](Cc1cc(C(=O)[O-])sc1C)[C@H](C)C(C)C ZINC000706675485 601638914 /nfs/dbraw/zinc/63/89/14/601638914.db2.gz URHJAIHVJDDWGM-SNVBAGLBSA-N 0 1 269.410 3.621 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000568110437 601640398 /nfs/dbraw/zinc/64/03/98/601640398.db2.gz XZLGBGWMDQXUGN-FFSVYQOJSA-N 0 1 291.366 3.677 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000227408232 601643711 /nfs/dbraw/zinc/64/37/11/601643711.db2.gz VNIGSNFOPVRCQH-WCQYABFASA-N 0 1 279.405 3.519 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)[C@@H]1c1ccccc1 ZINC000828455488 601647393 /nfs/dbraw/zinc/64/73/93/601647393.db2.gz DCTWZYADOHDEBM-PXAZEXFGSA-N 0 1 299.345 3.717 20 0 CHADMN CC[N@@H+](Cc1ccsc1C(=O)[O-])Cc1ccccc1C ZINC000564738833 601807817 /nfs/dbraw/zinc/80/78/17/601807817.db2.gz RNPFVPQURGAKSL-UHFFFAOYSA-N 0 1 289.400 3.777 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000565103119 601827614 /nfs/dbraw/zinc/82/76/14/601827614.db2.gz IGXUQKBKMIIKFQ-WZRBSPASSA-N 0 1 279.405 3.599 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2Cc2ccsc2C(=O)[O-])o1 ZINC000566015490 601827816 /nfs/dbraw/zinc/82/78/16/601827816.db2.gz YOPCWIOCKFZVNC-GFCCVEGCSA-N 0 1 291.372 3.685 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCCC[C@H]1c1ccco1 ZINC000833348678 601828558 /nfs/dbraw/zinc/82/85/58/601828558.db2.gz PAGVVKZXTVUWSZ-LBPRGKRZSA-N 0 1 291.372 3.767 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])s2)Cc2ccccc21 ZINC000828455721 601937813 /nfs/dbraw/zinc/93/78/13/601937813.db2.gz FOCZARTWYPQESG-LLVKDONJSA-N 0 1 287.384 3.566 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)s1 ZINC000570933462 601938327 /nfs/dbraw/zinc/93/83/27/601938327.db2.gz IEHIEVDCPHZCRK-CQSZACIVSA-N 0 1 287.384 3.783 20 0 CHADMN CC(C)[N@H+](C/C=C/c1ccc(Cl)cc1)CCC(=O)[O-] ZINC000652478711 604643842 /nfs/dbraw/zinc/64/38/42/604643842.db2.gz SMHMLTXNGZSRJP-ONEGZZNKSA-N 0 1 281.783 3.538 20 0 CHADMN C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833546688 605104363 /nfs/dbraw/zinc/10/43/63/605104363.db2.gz KNWWRYKWWXCYBA-LLVKDONJSA-N 0 1 298.342 3.652 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833548362 605104603 /nfs/dbraw/zinc/10/46/03/605104603.db2.gz NXTPXMQJHKNUIZ-JTQLQIEISA-N 0 1 292.766 3.559 20 0 CHADMN CC[N@@H+](CCC(F)(F)F)Cc1cccc(NC(=O)[O-])c1 ZINC000833857232 605595504 /nfs/dbraw/zinc/59/55/04/605595504.db2.gz HLVAQRINDHQGHF-UHFFFAOYSA-N 0 1 290.285 3.551 20 0 CHADMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1F)[C@@H]1CCc2ccccc21 ZINC000833694342 605830459 /nfs/dbraw/zinc/83/04/59/605830459.db2.gz GOJVJDVKJJPPAD-QGZVFWFLSA-N 0 1 299.345 3.643 20 0 CHADMN C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2F)[C@H]1c1ccccc1 ZINC000833629447 605838393 /nfs/dbraw/zinc/83/83/93/605838393.db2.gz INCQWNKVQAEEEY-YVEFUNNKSA-N 0 1 299.345 3.717 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2F)[C@H]1c1ccccc1 ZINC000833629447 605838395 /nfs/dbraw/zinc/83/83/95/605838395.db2.gz INCQWNKVQAEEEY-YVEFUNNKSA-N 0 1 299.345 3.717 20 0 CHADMN C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2F)[C@H]1c1ccccc1 ZINC000833629446 605839037 /nfs/dbraw/zinc/83/90/37/605839037.db2.gz INCQWNKVQAEEEY-SJKOYZFVSA-N 0 1 299.345 3.717 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2F)[C@H]1c1ccccc1 ZINC000833629446 605839041 /nfs/dbraw/zinc/83/90/41/605839041.db2.gz INCQWNKVQAEEEY-SJKOYZFVSA-N 0 1 299.345 3.717 20 0 CHADMN CC(C)(c1ccnc(Cl)c1)N1C[C@@H]2CC(F)(F)[C@H]2C1 ZINC001164410485 718871995 /nfs/dbraw/zinc/87/19/95/718871995.db2.gz BTWMUNBFRREXGU-ONGXEEELSA-N 0 1 286.753 3.557 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1Cl ZINC000050925366 948921066 /nfs/dbraw/zinc/92/10/66/948921066.db2.gz IIEGWYBTTNABIP-LLVKDONJSA-N 0 1 299.773 3.698 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1Cl ZINC000050924990 948922249 /nfs/dbraw/zinc/92/22/49/948922249.db2.gz HUXNJESXSPARJA-CYBMUJFWSA-N 0 1 299.773 3.698 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])[C@@H](C)c1cccc2ccccc21 ZINC000086776075 949064825 /nfs/dbraw/zinc/06/48/25/949064825.db2.gz UVRJXDBRKWIQRQ-ZDUSSCGKSA-N 0 1 271.360 3.697 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000086784934 949065390 /nfs/dbraw/zinc/06/53/90/949065390.db2.gz JGJKGCXMTLIFIW-SJLPKXTDSA-N 0 1 287.403 3.641 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000094529178 949176831 /nfs/dbraw/zinc/17/68/31/949176831.db2.gz DSUXEGUHXBKJIS-SFHVURJKSA-N 0 1 287.403 3.641 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC001589605180 949243252 /nfs/dbraw/zinc/24/32/52/949243252.db2.gz LZSMPTNRGPGRTE-INMHGKMJSA-N 0 1 279.424 3.556 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CCC2CCCCC2)C1 ZINC000125379784 949257109 /nfs/dbraw/zinc/25/71/09/949257109.db2.gz CZSUSLKXHNRCCS-MRXNPFEDSA-N 0 1 267.413 3.534 20 0 CHADMN CCCC[N@@H+](CCCC(=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC001589647628 949744942 /nfs/dbraw/zinc/74/49/42/949744942.db2.gz FBDDJQHJFFBQMB-KGLIPLIRSA-N 0 1 255.402 3.532 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000251179429 950012459 /nfs/dbraw/zinc/01/24/59/950012459.db2.gz CWGRJJCUJFGKLL-BDJLRTHQSA-N 0 1 297.345 3.603 20 0 CHADMN Cc1ccc([C@@H](C)NCc2c(C)noc2C)s1 ZINC000109053316 1125458258 /nfs/dbraw/zinc/45/82/58/1125458258.db2.gz KWNSNJUSZBPERT-SNVBAGLBSA-N 0 1 250.367 3.512 20 0 CHADMN C[C@H](c1cccc(F)c1)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000316160155 950869668 /nfs/dbraw/zinc/86/96/68/950869668.db2.gz WKIOZQKJMKOBAC-SJKOYZFVSA-N 0 1 299.345 3.571 20 0 CHADMN Cc1ccccc1[C@H](C)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000316113220 950869735 /nfs/dbraw/zinc/86/97/35/950869735.db2.gz SCLQRCXCTIGKTJ-KSSFIOAISA-N 0 1 295.382 3.740 20 0 CHADMN Cc1ccccc1[C@@H](C)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000316113225 950870504 /nfs/dbraw/zinc/87/05/04/950870504.db2.gz SCLQRCXCTIGKTJ-RDTXWAMCSA-N 0 1 295.382 3.740 20 0 CHADMN CCN(Cc1noc(-c2ccsc2)n1)C1CCCC1 ZINC000127152846 1125459588 /nfs/dbraw/zinc/45/95/88/1125459588.db2.gz UTHSDVLKBQUKLL-UHFFFAOYSA-N 0 1 277.393 3.563 20 0 CHADMN COc1nc2ccccc2cc1CN1CCC(C)(F)CC1 ZINC001137201063 1125460034 /nfs/dbraw/zinc/46/00/34/1125460034.db2.gz ARYVQPRFMPMSOT-UHFFFAOYSA-N 0 1 288.366 3.567 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2)CC[C@@H]1C(=O)[O-] ZINC000629497459 953830823 /nfs/dbraw/zinc/83/08/23/953830823.db2.gz CZEKJLXUPHWJNR-BBRMVZONSA-N 0 1 289.419 3.527 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000629772451 953834069 /nfs/dbraw/zinc/83/40/69/953834069.db2.gz PMRHUVPDCAHORX-FMKPAKJESA-N 0 1 281.440 3.636 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000629772453 953834098 /nfs/dbraw/zinc/83/40/98/953834098.db2.gz PMRHUVPDCAHORX-IJEWVQPXSA-N 0 1 281.440 3.636 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000629772454 953834229 /nfs/dbraw/zinc/83/42/29/953834229.db2.gz PMRHUVPDCAHORX-YCPHGPKFSA-N 0 1 281.440 3.636 20 0 CHADMN Cc1ccn(-c2ccccc2CN[C@H](C)c2ccc(C)o2)n1 ZINC000127623508 1125462078 /nfs/dbraw/zinc/46/20/78/1125462078.db2.gz YFROXENVIHVWMQ-OAHLLOKOSA-N 0 1 295.386 3.933 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC001137894378 1131430943 /nfs/dbraw/zinc/43/09/43/1131430943.db2.gz SGZCFFIPILKEOM-XHSDSOJGSA-N 0 1 282.472 3.534 20 0 CHADMN COc1ccc(Br)c(CN(C)C2CC(C)C2)c1 ZINC001137905659 1131433040 /nfs/dbraw/zinc/43/30/40/1131433040.db2.gz ZCEHECVALHTHIS-UHFFFAOYSA-N 0 1 298.224 3.688 20 0 CHADMN CCCc1nc(CN2CCCC[C@@H]2CC)cs1 ZINC000045914190 1125463689 /nfs/dbraw/zinc/46/36/89/1125463689.db2.gz QKVZOZGVNOJRCE-ZDUSSCGKSA-N 0 1 252.427 3.860 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000846280376 955706249 /nfs/dbraw/zinc/70/62/49/955706249.db2.gz CUDUIJXNQOJAQV-BBWFWOEESA-N 0 1 287.403 3.509 20 0 CHADMN CSc1ccc(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)s1 ZINC000871621630 956048142 /nfs/dbraw/zinc/04/81/42/956048142.db2.gz KBNPUTAZWDSMFX-LLVKDONJSA-N 0 1 299.461 3.547 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@H+](C)C[C@H](C)C(=O)[O-])c1 ZINC000872157895 956054814 /nfs/dbraw/zinc/05/48/14/956054814.db2.gz UCOCDPTWPXETQE-AWEZNQCLSA-N 0 1 285.387 3.609 20 0 CHADMN CC[C@H](C)[C@@H]1CCCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903695654 956882714 /nfs/dbraw/zinc/88/27/14/956882714.db2.gz FOARWNRRSWSIAW-KBPBESRZSA-N 0 1 267.413 3.532 20 0 CHADMN CC[N@@H+](Cc1cc(C(=O)[O-])ccc1OC)C1CCCCC1 ZINC000050126723 957483288 /nfs/dbraw/zinc/48/32/88/957483288.db2.gz SGQNGCVZACPELY-UHFFFAOYSA-N 0 1 291.391 3.548 20 0 CHADMN C[C@H]1CCC[C@H]([N@@H+](C)Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000062754024 957607848 /nfs/dbraw/zinc/60/78/48/957607848.db2.gz WKXPCDAZYFQHSF-FZMZJTMJSA-N 0 1 279.355 3.534 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000079349756 957756275 /nfs/dbraw/zinc/75/62/75/957756275.db2.gz MSEYALAUALWEEL-AWEZNQCLSA-N 0 1 293.407 3.934 20 0 CHADMN CCN(Cc1noc(-c2ccsc2)n1)[C@H](C)C(C)C ZINC000128460519 1125467167 /nfs/dbraw/zinc/46/71/67/1125467167.db2.gz WSGBPEJHQLLYHI-LLVKDONJSA-N 0 1 279.409 3.665 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000088256153 958051312 /nfs/dbraw/zinc/05/13/12/958051312.db2.gz XVWGMNJLHQBZIG-NSHDSACASA-N 0 1 281.783 3.588 20 0 CHADMN CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000111781348 958440288 /nfs/dbraw/zinc/44/02/88/958440288.db2.gz HBGOKISZOVOENT-GDBMZVCRSA-N 0 1 275.392 3.785 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)Cc1cccc(F)c1 ZINC000122737718 958486982 /nfs/dbraw/zinc/48/69/82/958486982.db2.gz VFLXVOINIAXVNQ-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN CC(C)C[N@H+](CC(=O)[O-])CC1CCC(C(C)(C)C)CC1 ZINC000130294350 958729105 /nfs/dbraw/zinc/72/91/05/958729105.db2.gz GLFFTGJCLZVICD-UHFFFAOYSA-N 0 1 283.456 3.882 20 0 CHADMN Cc1cccc([C@H]([NH2+]Cc2ccc(Cl)s2)C(=O)[O-])c1 ZINC001594397827 958789531 /nfs/dbraw/zinc/78/95/31/958789531.db2.gz MYFNDGHMMNUPFS-ZDUSSCGKSA-N 0 1 295.791 3.625 20 0 CHADMN Cc1cccc([C@H](C)[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000135050158 958881275 /nfs/dbraw/zinc/88/12/75/958881275.db2.gz FFXBXYKKGGXGNB-HOCLYGCPSA-N 0 1 289.419 3.879 20 0 CHADMN C[C@H](C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000135048418 958883221 /nfs/dbraw/zinc/88/32/21/958883221.db2.gz IYEOJMMBPZTRAY-ZBFHGGJFSA-N 0 1 289.419 3.613 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2cccc(O)c2)cc1F ZINC000109783688 1125469642 /nfs/dbraw/zinc/46/96/42/1125469642.db2.gz IAHSNHCTDIKPMD-GFCCVEGCSA-N 0 1 289.350 3.733 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000155974387 959045209 /nfs/dbraw/zinc/04/52/09/959045209.db2.gz IRSXFMWEOQQUNM-JTQLQIEISA-N 0 1 269.410 3.621 20 0 CHADMN C[C@H]1CCCCCN1Cc1ccc(F)c(F)c1F ZINC001137938361 1131438797 /nfs/dbraw/zinc/43/87/97/1131438797.db2.gz FFLWVSAYCRVBPZ-JTQLQIEISA-N 0 1 257.299 3.868 20 0 CHADMN C[C@H](C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000223495773 959837008 /nfs/dbraw/zinc/83/70/08/959837008.db2.gz IYEOJMMBPZTRAY-GDBMZVCRSA-N 0 1 289.419 3.613 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000226990779 959913417 /nfs/dbraw/zinc/91/34/17/959913417.db2.gz UVBBWAJNEXIUTK-JKSUJKDBSA-N 0 1 289.419 3.961 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000232696022 960291704 /nfs/dbraw/zinc/29/17/04/960291704.db2.gz PFOJVWDKXKOZGI-CQSZACIVSA-N 0 1 293.382 3.782 20 0 CHADMN O=C([O-])c1ccc(F)c(C[N@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC001231458508 960609021 /nfs/dbraw/zinc/60/90/21/960609021.db2.gz YKDAAHKEXDHYDZ-QGZVFWFLSA-N 0 1 299.345 3.861 20 0 CHADMN CC[C@@H]1CCCC[C@H]1C[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001331925369 961414098 /nfs/dbraw/zinc/41/40/98/961414098.db2.gz SNCAEZXGOOPLED-KGLIPLIRSA-N 0 1 293.407 3.934 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2cccc3ccoc32)C1 ZINC001332406552 961561221 /nfs/dbraw/zinc/56/12/21/961561221.db2.gz NMWAMGFTJLMSSL-CYBMUJFWSA-N 0 1 287.359 3.510 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cc3n(n1)CCCC3)[C@H](C)C2 ZINC000655757528 1125479818 /nfs/dbraw/zinc/47/98/18/1125479818.db2.gz HYEFUTCBOBNLGB-KUHUBIRLSA-N 0 1 295.430 3.551 20 0 CHADMN CCc1nocc1CN(C)[C@@H](C)c1ccccc1C ZINC000339606901 1117911351 /nfs/dbraw/zinc/91/13/51/1117911351.db2.gz GLURQJOCAHRVKJ-ZDUSSCGKSA-N 0 1 258.365 3.738 20 0 CHADMN C[N@@H+](CCC(C)(C)C)[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001349593390 962475025 /nfs/dbraw/zinc/47/50/25/962475025.db2.gz YSERSEMGKPUBPT-CYBMUJFWSA-N 0 1 283.799 3.834 20 0 CHADMN CC[C@@H]1CCCN(Cc2ccc(C)c(F)c2F)C1 ZINC001137969710 1131444282 /nfs/dbraw/zinc/44/42/82/1131444282.db2.gz FSGKITLAINWVOH-GFCCVEGCSA-N 0 1 253.336 3.895 20 0 CHADMN CCC[C@@H](CN[C@H](C)c1nc2c(s1)CCCC2)OCC ZINC000624049629 1117976132 /nfs/dbraw/zinc/97/61/32/1117976132.db2.gz MMGUFWMMJFWCEZ-OLZOCXBDSA-N 0 1 296.480 3.878 20 0 CHADMN O=C([O-])CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC001574702162 962685524 /nfs/dbraw/zinc/68/55/24/962685524.db2.gz OWICYQUDPDICRD-BBWFWOEESA-N 0 1 287.403 3.509 20 0 CHADMN CCc1cccc(CN[C@H]2c3ccccc3O[C@H]2C)c1 ZINC001202647883 1125484317 /nfs/dbraw/zinc/48/43/17/1125484317.db2.gz YGVQOQJRQVAQHT-SCLBCKFNSA-N 0 1 267.372 3.861 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc1F ZINC000300187918 962988754 /nfs/dbraw/zinc/98/87/54/962988754.db2.gz MVTHTPNWQMJCKE-KGLIPLIRSA-N 0 1 291.366 3.536 20 0 CHADMN CC(C)(C)CCC[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000302264417 963068271 /nfs/dbraw/zinc/06/82/71/963068271.db2.gz FUZDMPHLPGEWAD-CYBMUJFWSA-N 0 1 269.429 3.636 20 0 CHADMN CC(C)C1CCC(C[N@@H+](CCC(=O)[O-])C(C)C)CC1 ZINC000311515422 963485644 /nfs/dbraw/zinc/48/56/44/963485644.db2.gz SHHVHQGYZAWGEP-UHFFFAOYSA-N 0 1 269.429 3.634 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)[C@H]1C=CCCCCC1 ZINC000312236498 963546204 /nfs/dbraw/zinc/54/62/04/963546204.db2.gz NHIRZQAEAGOBRX-INIZCTEOSA-N 0 1 273.376 3.706 20 0 CHADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000312239691 963546500 /nfs/dbraw/zinc/54/65/00/963546500.db2.gz PGOVVWVFIIZLKG-LSDHHAIUSA-N 0 1 279.424 3.698 20 0 CHADMN C[C@@H](c1ccc(F)cc1)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000315853112 963943476 /nfs/dbraw/zinc/94/34/76/963943476.db2.gz HDWAHGUDDDAKNX-SJCJKPOMSA-N 0 1 299.345 3.571 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000316118836 963978719 /nfs/dbraw/zinc/97/87/19/963978719.db2.gz STJXLKWWLCJGMD-QZTJIDSGSA-N 0 1 295.382 3.822 20 0 CHADMN C[N@@H+](Cc1coc2ccccc12)Cc1ccc(C(=O)[O-])cc1 ZINC000316359851 964006586 /nfs/dbraw/zinc/00/65/86/964006586.db2.gz GUKVEMBSHUJLAS-UHFFFAOYSA-N 0 1 295.338 3.763 20 0 CHADMN Cc1cccc(CN(C)Cc2cc(F)cc(F)c2)c1 ZINC001167100969 1118005103 /nfs/dbraw/zinc/00/51/03/1118005103.db2.gz SCIUYDQCWDWMBZ-UHFFFAOYSA-N 0 1 261.315 3.905 20 0 CHADMN CC1(C)CCC(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])CC1 ZINC000380528311 1118072502 /nfs/dbraw/zinc/07/25/02/1118072502.db2.gz KEDWFYGSQZVEPQ-HNNXBMFYSA-N 0 1 281.440 3.922 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000124463041 967620112 /nfs/dbraw/zinc/62/01/12/967620112.db2.gz CRXUCWPWHKGWDF-HNNXBMFYSA-N 0 1 299.773 3.556 20 0 CHADMN CC(C)C(C[N@H+]1CCCC[C@@H]1CCC(=O)[O-])C(C)C ZINC000381779288 968093438 /nfs/dbraw/zinc/09/34/38/968093438.db2.gz DDMFDZUMLLYZQL-CQSZACIVSA-N 0 1 269.429 3.634 20 0 CHADMN C[C@H](C[N@H+]1CCC[C@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000579811172 968470916 /nfs/dbraw/zinc/47/09/16/968470916.db2.gz PFYVLRLOCFLVTQ-CHWSQXEVSA-N 0 1 295.810 3.630 20 0 CHADMN C[C@H](C[N@H+]1CCCC[C@H]1CCC(=O)[O-])c1ccc(F)cc1 ZINC000901999067 969505179 /nfs/dbraw/zinc/50/51/79/969505179.db2.gz XEKOVNZPEDFABP-CJNGLKHVSA-N 0 1 293.382 3.649 20 0 CHADMN Cc1ccc(C)c(C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC000317347813 970350305 /nfs/dbraw/zinc/35/03/05/970350305.db2.gz ABHAMLOPGXHXIP-UHFFFAOYSA-N 0 1 295.382 3.560 20 0 CHADMN Cc1cccc([C@@H](C)[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC000393264126 972577908 /nfs/dbraw/zinc/57/79/08/972577908.db2.gz UNEXFUBSOXQCSV-KDOFPFPSSA-N 0 1 295.382 3.740 20 0 CHADMN CC[C@@H]1CCC[C@H](C[N@@H+](CC(=O)[O-])C2CCCC2)C1 ZINC000394610457 972723613 /nfs/dbraw/zinc/72/36/13/972723613.db2.gz IWYXZBFMKIYKLV-KGLIPLIRSA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC001605951769 972917802 /nfs/dbraw/zinc/91/78/02/972917802.db2.gz ZVOISWASFKIAKQ-CQSZACIVSA-N 0 1 293.794 3.732 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(Cl)c2C)C1 ZINC001603609333 973876101 /nfs/dbraw/zinc/87/61/01/973876101.db2.gz IPULRGVYSBXEKQ-MRXNPFEDSA-N 0 1 295.810 3.725 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000514791134 974292829 /nfs/dbraw/zinc/29/28/29/974292829.db2.gz GANUDSOQJOZXNV-AWEZNQCLSA-N 0 1 277.364 3.523 20 0 CHADMN C[N@@H+](CCc1cccc2ccccc21)CC1(CC(=O)[O-])CC1 ZINC000514867353 974293856 /nfs/dbraw/zinc/29/38/56/974293856.db2.gz VOSGXIUWXSEKKU-UHFFFAOYSA-N 0 1 297.398 3.569 20 0 CHADMN O=C([O-])c1ccccc1CC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000519821486 974336186 /nfs/dbraw/zinc/33/61/86/974336186.db2.gz CFQJYWBFLRHWTB-GOSISDBHSA-N 0 1 295.382 3.764 20 0 CHADMN CC(C)C[C@@H]1CCCCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000520594053 974340297 /nfs/dbraw/zinc/34/02/97/974340297.db2.gz CSVDPGSAYYCEDP-AWEZNQCLSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@H]([N@@H+](C)Cc1c(Cl)cccc1C(=O)[O-])C1(C)CC1 ZINC000521448446 974344969 /nfs/dbraw/zinc/34/49/69/974344969.db2.gz IAYMVPJJOPJTFN-SNVBAGLBSA-N 0 1 281.783 3.659 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000530173927 974362874 /nfs/dbraw/zinc/36/28/74/974362874.db2.gz SCVIPJIEECFCSH-YOEHRIQHSA-N 0 1 289.419 3.961 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000563966527 974542573 /nfs/dbraw/zinc/54/25/73/974542573.db2.gz KTYWLJPYXZRQHE-CYBMUJFWSA-N 0 1 291.372 3.685 20 0 CHADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000565102011 974569176 /nfs/dbraw/zinc/56/91/76/974569176.db2.gz CETULJJYYIHJOI-NVXWUHKLSA-N 0 1 289.419 3.879 20 0 CHADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000565104118 974570974 /nfs/dbraw/zinc/57/09/74/974570974.db2.gz JEWKPJONDNAXBM-DGCLKSJQSA-N 0 1 281.421 3.847 20 0 CHADMN CCC[C@@]1(C)CCC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000565105634 974571694 /nfs/dbraw/zinc/57/16/94/974571694.db2.gz ULXSMIHVZRKKPB-LRDDRELGSA-N 0 1 279.380 3.941 20 0 CHADMN C[N@@H+](CC1CCCC1)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000566358728 974607745 /nfs/dbraw/zinc/60/77/45/974607745.db2.gz LIABHVVSBZJRKE-CQSZACIVSA-N 0 1 281.783 3.588 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000567359437 974632677 /nfs/dbraw/zinc/63/26/77/974632677.db2.gz VKGQZLDUZVDRAR-MLGOLLRUSA-N 0 1 293.382 3.925 20 0 CHADMN C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000569010466 974683073 /nfs/dbraw/zinc/68/30/73/974683073.db2.gz NGROXCSYWCNLGL-SNVBAGLBSA-N 0 1 281.783 3.659 20 0 CHADMN CCC(C)(C)c1ccc(C[N@@H+](CC(=O)[O-])C(C)C)cc1 ZINC000569981633 974702838 /nfs/dbraw/zinc/70/28/38/974702838.db2.gz LSYOPZFFJSWQDF-UHFFFAOYSA-N 0 1 277.408 3.669 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000570219881 974707263 /nfs/dbraw/zinc/70/72/63/974707263.db2.gz PTTXVWCKLLDDIN-YRGRVCCFSA-N 0 1 291.391 3.693 20 0 CHADMN CCC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2C)C1 ZINC000572127751 974741800 /nfs/dbraw/zinc/74/18/00/974741800.db2.gz RJEPXDZQOONBQS-ZBFHGGJFSA-N 0 1 275.392 3.633 20 0 CHADMN CC[C@]1(C)CC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000572729120 974752623 /nfs/dbraw/zinc/75/26/23/974752623.db2.gz PPEDJLYRXISDJC-DZGCQCFKSA-N 0 1 281.783 3.588 20 0 CHADMN CC[N@H+](Cc1ccc(Cl)s1)Cc1ccoc1C(=O)[O-] ZINC000573379393 974764490 /nfs/dbraw/zinc/76/44/90/974764490.db2.gz FVXSGTDBHGGNDA-UHFFFAOYSA-N 0 1 299.779 3.715 20 0 CHADMN CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccoc1C(=O)[O-] ZINC000573379393 974764492 /nfs/dbraw/zinc/76/44/92/974764492.db2.gz FVXSGTDBHGGNDA-UHFFFAOYSA-N 0 1 299.779 3.715 20 0 CHADMN CCc1ccccc1CC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000573330952 974764734 /nfs/dbraw/zinc/76/47/34/974764734.db2.gz GQQQNELVHGZRHN-UHFFFAOYSA-N 0 1 297.398 3.622 20 0 CHADMN Cc1cc([C@H](C)[N@@H+](C)Cc2cccs2)oc1C(=O)[O-] ZINC000578448351 974854942 /nfs/dbraw/zinc/85/49/42/974854942.db2.gz RYJKNRCZGOOIIV-JTQLQIEISA-N 0 1 279.361 3.541 20 0 CHADMN C[C@@]1(C(=O)[O-])CCC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000582365328 974924955 /nfs/dbraw/zinc/92/49/55/974924955.db2.gz QSEUTNIUZMODQW-GOEBONIOSA-N 0 1 293.794 3.514 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])[C@@H]1C=CCCC1 ZINC000583824127 974946076 /nfs/dbraw/zinc/94/60/76/974946076.db2.gz UCOWBFKEWWDYBH-CVEARBPZSA-N 0 1 273.376 3.633 20 0 CHADMN CCc1ccc([C@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])o3)C2)cc1 ZINC000584422445 974955475 /nfs/dbraw/zinc/95/54/75/974955475.db2.gz XORQDGRHKMFRRP-HNNXBMFYSA-N 0 1 299.370 3.530 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000629374999 975088714 /nfs/dbraw/zinc/08/87/14/975088714.db2.gz ABNCWZGLXOEBOM-ZZKXABKFSA-N 0 1 279.405 3.625 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000629484709 975093368 /nfs/dbraw/zinc/09/33/68/975093368.db2.gz MHJNCRZPQZKPNB-HIFRSBDPSA-N 0 1 295.810 3.629 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@@H]2C2CCC2)s1 ZINC000652415519 975526760 /nfs/dbraw/zinc/52/67/60/975526760.db2.gz YHIDYHRZLHDSTP-CYBMUJFWSA-N 0 1 279.405 3.601 20 0 CHADMN O=C([O-])[C@H](c1ccsc1)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656760803 975688298 /nfs/dbraw/zinc/68/82/98/975688298.db2.gz HYYHHOYZIJSTFH-ZFWWWQNUSA-N 0 1 293.432 3.776 20 0 CHADMN O=C([O-])[C@@H](c1ccsc1)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656760801 975688942 /nfs/dbraw/zinc/68/89/42/975688942.db2.gz HYYHHOYZIJSTFH-UKRRQHHQSA-N 0 1 293.432 3.776 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCCC(CC)(CC)C1 ZINC000656762550 975690554 /nfs/dbraw/zinc/69/05/54/975690554.db2.gz FCWMHUIENVLKHQ-ZDUSSCGKSA-N 0 1 255.402 3.532 20 0 CHADMN CC(C)C[C@H](C)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000656765392 975697128 /nfs/dbraw/zinc/69/71/28/975697128.db2.gz KROTZMVIOQPOLM-XUWVNRHRSA-N 0 1 281.440 3.634 20 0 CHADMN CCC(C)(C)CC[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000656766069 975699081 /nfs/dbraw/zinc/69/90/81/975699081.db2.gz PXGFVUWILCMPHE-KKUMJFAQSA-N 0 1 281.440 3.778 20 0 CHADMN CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000659803028 975894005 /nfs/dbraw/zinc/89/40/05/975894005.db2.gz CXGYXIIHKIDTQB-CMPLNLGQSA-N 0 1 267.394 3.599 20 0 CHADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)C[C@H]1CCc2ccccc21 ZINC000659804559 975895275 /nfs/dbraw/zinc/89/52/75/975895275.db2.gz ZLHCPPWBTBVDQM-QGZVFWFLSA-N 0 1 295.382 3.547 20 0 CHADMN Cc1ccc([C@@H]2CC[N@@H+](Cc3cccc(C(=O)[O-])c3)C2)cc1 ZINC000666575959 975973611 /nfs/dbraw/zinc/97/36/11/975973611.db2.gz BDKNLNQQEQBYMU-GOSISDBHSA-N 0 1 295.382 3.683 20 0 CHADMN CC(C)c1[nH]c(C[N@@H+]2CC[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001591912882 976352170 /nfs/dbraw/zinc/35/21/70/976352170.db2.gz USMZREIPOCGPCS-MRXNPFEDSA-N 0 1 298.386 3.783 20 0 CHADMN CC(C)c1[nH]c(C[N@H+]2CC[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001591912882 976352184 /nfs/dbraw/zinc/35/21/84/976352184.db2.gz USMZREIPOCGPCS-MRXNPFEDSA-N 0 1 298.386 3.783 20 0 CHADMN CC(C)c1ccc2c(c1)CC[N@H+](Cc1occc1C(=O)[O-])C2 ZINC001591973714 976580570 /nfs/dbraw/zinc/58/05/70/976580570.db2.gz IMTSUMRYHFGVFO-UHFFFAOYSA-N 0 1 299.370 3.660 20 0 CHADMN CC(C)c1ccc2c(c1)CC[N@H+](Cc1ccoc1C(=O)[O-])C2 ZINC001591974595 976591237 /nfs/dbraw/zinc/59/12/37/976591237.db2.gz ZBXWZOKYJMQREV-UHFFFAOYSA-N 0 1 299.370 3.660 20 0 CHADMN Cc1ccsc1CNCc1cc(C)cnc1Cl ZINC000921598869 1118205236 /nfs/dbraw/zinc/20/52/36/1118205236.db2.gz PUGKHOBZKVDYBO-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN CC[C@@H](C)N(C)Cc1csc(Cc2ccccc2)n1 ZINC000104686036 1118236594 /nfs/dbraw/zinc/23/65/94/1118236594.db2.gz LRZZGMJGLFGTJU-CYBMUJFWSA-N 0 1 274.433 3.964 20 0 CHADMN CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@H]1CCCO1 ZINC000186181694 1118261434 /nfs/dbraw/zinc/26/14/34/1118261434.db2.gz XHNYFLGYFGKIQL-VZJVUDMVSA-N 0 1 283.799 3.654 20 0 CHADMN Cc1ncsc1CNc1ccc(Cl)c(CN(C)C)c1 ZINC000282162767 1118272567 /nfs/dbraw/zinc/27/25/67/1118272567.db2.gz IQHXEQNGZRIJPX-UHFFFAOYSA-N 0 1 295.839 3.779 20 0 CHADMN C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833546003 979202532 /nfs/dbraw/zinc/20/25/32/979202532.db2.gz CRXVCXJILFXIOY-LLVKDONJSA-N 0 1 298.342 3.652 20 0 CHADMN Cc1cc(C[N@H+](C)C2CCCCCCC2)oc1C(=O)[O-] ZINC000846243320 979420275 /nfs/dbraw/zinc/42/02/75/979420275.db2.gz HLUKRNUHLRMZFH-UHFFFAOYSA-N 0 1 279.380 3.831 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC3(CCCC3)C2)cc1Cl ZINC000846245304 979422462 /nfs/dbraw/zinc/42/24/62/979422462.db2.gz UJZIDKPQTUVQDS-UHFFFAOYSA-N 0 1 293.794 3.804 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](Cc2ccccc2CC(=O)[O-])C1 ZINC000846249477 979424308 /nfs/dbraw/zinc/42/43/08/979424308.db2.gz QCZYEDROEAWLMM-GOSISDBHSA-N 0 1 289.419 3.716 20 0 CHADMN CC[C@@H](C[N@@H+](CC)C/C=C(\C)C(=O)[O-])c1ccccc1 ZINC000846253363 979425391 /nfs/dbraw/zinc/42/53/91/979425391.db2.gz BJAVIZQGPAGFMK-GOFCXVBSSA-N 0 1 275.392 3.533 20 0 CHADMN CC[C@@H](C[N@@H+](C)C1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC001595129490 979535552 /nfs/dbraw/zinc/53/55/52/979535552.db2.gz LAPGZEZITYFAOO-HNNXBMFYSA-N 0 1 289.419 3.900 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1ccc(Cl)nc1 ZINC000049726659 1118432035 /nfs/dbraw/zinc/43/20/35/1118432035.db2.gz NEGODRUYOFIUJS-JTQLQIEISA-N 0 1 266.797 3.990 20 0 CHADMN CCC(CC)[N@@H+](Cc1cc(C(=O)[O-])cs1)C1CC1 ZINC000872157169 980038523 /nfs/dbraw/zinc/03/85/23/980038523.db2.gz MRNWCMRUBPZIMT-UHFFFAOYSA-N 0 1 267.394 3.599 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](Cc1cc(C(=O)[O-])cs1)C1CC1 ZINC000872156880 980038593 /nfs/dbraw/zinc/03/85/93/980038593.db2.gz IZEQJAMDBIHTLF-SNVBAGLBSA-N 0 1 291.372 3.765 20 0 CHADMN Cc1ccc(C[N@H+]2C[C@@H](C)CCC[C@H]2C)cc1C(=O)[O-] ZINC000872158382 980041419 /nfs/dbraw/zinc/04/14/19/980041419.db2.gz CMWZKCOPGDDDEL-GXTWGEPZSA-N 0 1 275.392 3.704 20 0 CHADMN CC1(C)[C@H](c2ccccc2F)CC[N@H+]1CCCCC(=O)[O-] ZINC000872165531 980058995 /nfs/dbraw/zinc/05/89/95/980058995.db2.gz XKZNUSLIHTZUSI-AWEZNQCLSA-N 0 1 293.382 3.649 20 0 CHADMN CCC[N@H+](Cc1ccnc2c(C(=O)[O-])cccc12)CC1CC1 ZINC000901415289 980260840 /nfs/dbraw/zinc/26/08/40/980260840.db2.gz GUGDBERTZVAENB-UHFFFAOYSA-N 0 1 298.386 3.555 20 0 CHADMN CCc1oc(C[N@H+]2CCC[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC000901417394 980264035 /nfs/dbraw/zinc/26/40/35/980264035.db2.gz JXLUZJHBRIFCQD-MRXNPFEDSA-N 0 1 299.370 3.877 20 0 CHADMN CC[C@H]1CCCC[C@@H]1C[N@@H+](CCC(=O)[O-])CC(C)C ZINC000901592231 980397015 /nfs/dbraw/zinc/39/70/15/980397015.db2.gz BTKPPDYBHZLJSP-LSDHHAIUSA-N 0 1 269.429 3.636 20 0 CHADMN C[C@H](C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000901701808 980456858 /nfs/dbraw/zinc/45/68/58/980456858.db2.gz XWFJWTOKMGKOCQ-MLGOLLRUSA-N 0 1 295.810 3.630 20 0 CHADMN C[C@@H](C[N@H+]1CCC[C@](C)(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000901701807 980457155 /nfs/dbraw/zinc/45/71/55/980457155.db2.gz XWFJWTOKMGKOCQ-LRDDRELGSA-N 0 1 295.810 3.630 20 0 CHADMN CC(C)C[N@@H+](CC(C(C)C)C(C)C)CC(C)(C)C(=O)[O-] ZINC000901840133 980558930 /nfs/dbraw/zinc/55/89/30/980558930.db2.gz WNJMPEVJVAKMIO-UHFFFAOYSA-N 0 1 285.472 3.983 20 0 CHADMN CC(C)C[N@@H+](C[C@H](C)C(C)(C)C)CC(C)(C)C(=O)[O-] ZINC000901840112 980559016 /nfs/dbraw/zinc/55/90/16/980559016.db2.gz VQVHJPNNOGVZRC-ZDUSSCGKSA-N 0 1 271.445 3.737 20 0 CHADMN Cc1cc(C[NH2+]Cc2ccc(C)cc2Cl)oc1C(=O)[O-] ZINC000901938592 980640426 /nfs/dbraw/zinc/64/04/26/980640426.db2.gz JVEMOLPURSNHBN-UHFFFAOYSA-N 0 1 293.750 3.538 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])C[C@@H](C)c1cccc(Cl)c1 ZINC000901978521 980658511 /nfs/dbraw/zinc/65/85/11/980658511.db2.gz GXNGGJOVEVKPKN-GFCCVEGCSA-N 0 1 283.799 3.629 20 0 CHADMN C/C(=C/c1ccccc1)C[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000902268748 980809143 /nfs/dbraw/zinc/80/91/43/980809143.db2.gz BUASUTJWSSZQBU-OWBHPGMISA-N 0 1 275.392 3.523 20 0 CHADMN CCc1oc(C[N@H+]2CCCC(CC)(CC)C2)cc1C(=O)[O-] ZINC000902305084 980825053 /nfs/dbraw/zinc/82/50/53/980825053.db2.gz GEAMSHUWXROHES-UHFFFAOYSA-N 0 1 293.407 3.942 20 0 CHADMN CC[C@]1(C)CC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)C1 ZINC000902350756 980844980 /nfs/dbraw/zinc/84/49/80/980844980.db2.gz VZVRUPNGUJMREG-GOSISDBHSA-N 0 1 298.386 3.555 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2cccc(C(=O)[O-])n2)CC1 ZINC000902444905 980891369 /nfs/dbraw/zinc/89/13/69/980891369.db2.gz LHKMPYSTELQVAK-UHFFFAOYSA-N 0 1 290.407 3.572 20 0 CHADMN CC(C)c1ccc2c(c1)C[N@H+](CCC(C)(C)C(=O)[O-])CC2 ZINC000902477467 980903903 /nfs/dbraw/zinc/90/39/03/980903903.db2.gz QPHXNPKGJLDBFT-UHFFFAOYSA-N 0 1 289.419 3.669 20 0 CHADMN Cc1ccccc1[C@@H]1CCC[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000902510667 980914542 /nfs/dbraw/zinc/91/45/42/980914542.db2.gz ZQORYLRMZFGQRV-HNNXBMFYSA-N 0 1 275.392 3.633 20 0 CHADMN Cc1ccccc1[C@H]1CCC[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000902510668 980914622 /nfs/dbraw/zinc/91/46/22/980914622.db2.gz ZQORYLRMZFGQRV-OAHLLOKOSA-N 0 1 275.392 3.633 20 0 CHADMN CC(C)(CC[N@@H+](CC1CC1)C1CCCCC1)C(=O)[O-] ZINC000902519125 980917345 /nfs/dbraw/zinc/91/73/45/980917345.db2.gz LWTNXLHUIANFHK-UHFFFAOYSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)(CC[N@H+]1CC[C@@H](c2ccccc2)C1(C)C)C(=O)[O-] ZINC000902533715 980924938 /nfs/dbraw/zinc/92/49/38/980924938.db2.gz NXKXWFSOMDEIFX-HNNXBMFYSA-N 0 1 289.419 3.755 20 0 CHADMN CCc1oc(C[N@@H+](CC2CCC2)C(C)C)cc1C(=O)[O-] ZINC000902533602 980925054 /nfs/dbraw/zinc/92/50/54/980925054.db2.gz GDWBWECXXSFXNW-UHFFFAOYSA-N 0 1 279.380 3.551 20 0 CHADMN CCc1oc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)cc1C(=O)[O-] ZINC000902540359 980926261 /nfs/dbraw/zinc/92/62/61/980926261.db2.gz FEAXEVMPIAVFNX-NJZAAPMLSA-N 0 1 291.391 3.551 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000902542431 980927027 /nfs/dbraw/zinc/92/70/27/980927027.db2.gz OHMOWFCMPJVROF-DVOMOZLQSA-N 0 1 299.370 3.744 20 0 CHADMN CCc1oc(C[N@@H+](C)[C@@H](C)C2CCCCC2)cc1C(=O)[O-] ZINC000902545665 980928315 /nfs/dbraw/zinc/92/83/15/980928315.db2.gz JRXQDTRODMXOKX-LBPRGKRZSA-N 0 1 293.407 3.941 20 0 CHADMN C[C@@H](C1CCCCC1)[N@@H+](C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902546318 980929164 /nfs/dbraw/zinc/92/91/64/980929164.db2.gz UELFJTPQROVOGA-OEYXZAGESA-N 0 1 291.391 3.778 20 0 CHADMN C[C@@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)C[C@H]1CC(=O)[O-] ZINC000902560880 980933200 /nfs/dbraw/zinc/93/32/00/980933200.db2.gz XKMAXRAYQJNDAV-YHNBSYBMSA-N 0 1 295.467 3.882 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000903593997 980977784 /nfs/dbraw/zinc/97/77/84/980977784.db2.gz AXZZRPBIIXCPAO-ZBFHGGJFSA-N 0 1 291.435 3.704 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](CC)Cc1cccc(Cl)c1 ZINC000903596666 980979773 /nfs/dbraw/zinc/97/97/73/980979773.db2.gz XEWJGWVMNWMSSX-BXUZGUMPSA-N 0 1 283.799 3.661 20 0 CHADMN O=C([O-])C[N@@H+](CC[C@H]1CCCC1(F)F)C1CCCCC1 ZINC000903602811 980984200 /nfs/dbraw/zinc/98/42/00/980984200.db2.gz SNKVMAUDXXYZFK-GFCCVEGCSA-N 0 1 289.366 3.531 20 0 CHADMN CCC(CC)CCC[N@H+](C)[C@H](C(=O)[O-])[C@H](C)CC ZINC000903605643 980986993 /nfs/dbraw/zinc/98/69/93/980986993.db2.gz CAZGZTMRFYCOEI-OCCSQVGLSA-N 0 1 257.418 3.634 20 0 CHADMN CCC(C)(C)CC[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000903618485 980996092 /nfs/dbraw/zinc/99/60/92/980996092.db2.gz FZJNZHPUJMBQSX-UHFFFAOYSA-N 0 1 275.392 3.569 20 0 CHADMN CC(C)C[C@H]1CCCCC[N@H+]1Cc1cncc(C(=O)[O-])c1 ZINC000903894321 981025665 /nfs/dbraw/zinc/02/56/65/981025665.db2.gz UADODJYZXYHGJF-MRXNPFEDSA-N 0 1 290.407 3.571 20 0 CHADMN CCCCCC[N@@H+](Cc1ccco1)[C@@H](CC)C(=O)[O-] ZINC000903961162 981076916 /nfs/dbraw/zinc/07/69/16/981076916.db2.gz NRNQPDLMBAFMQQ-AWEZNQCLSA-N 0 1 267.369 3.525 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595574817 981493384 /nfs/dbraw/zinc/49/33/84/981493384.db2.gz XSFJRUCFISWYSG-QJPTWQEYSA-N 0 1 296.436 3.803 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CC(C(F)F)C1 ZINC000656690763 1118638765 /nfs/dbraw/zinc/63/87/65/1118638765.db2.gz QDJSAMHJAWNGAM-UHFFFAOYSA-N 0 1 279.252 3.711 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001595628871 981792227 /nfs/dbraw/zinc/79/22/27/981792227.db2.gz OSZCOUREUIMSTC-UKRRQHHQSA-N 0 1 295.810 3.773 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC001595629032 981795137 /nfs/dbraw/zinc/79/51/37/981795137.db2.gz USQQBKALCPFNDG-AAEUAGOBSA-N 0 1 281.421 3.774 20 0 CHADMN Cc1ccoc1CNc1ccc(Cl)c(CN(C)C)c1 ZINC000341493741 1118716104 /nfs/dbraw/zinc/71/61/04/1118716104.db2.gz WKTCJQDVRHWPGO-UHFFFAOYSA-N 0 1 278.783 3.915 20 0 CHADMN CCCCC[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC001595690104 982191635 /nfs/dbraw/zinc/19/16/35/982191635.db2.gz IXBZIPNFGKQORN-LBPRGKRZSA-N 0 1 281.421 3.991 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC001595690188 982192712 /nfs/dbraw/zinc/19/27/12/982192712.db2.gz KJFWVAFBTYPKNI-CYBMUJFWSA-N 0 1 281.421 3.991 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC001594874784 982205683 /nfs/dbraw/zinc/20/56/83/982205683.db2.gz DWOBRJMSHOZHOO-XOSAIJSUSA-N 0 1 289.419 3.672 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC001594877674 982220095 /nfs/dbraw/zinc/22/00/95/982220095.db2.gz RGZJLOLIHBCKST-USXIJHARSA-N 0 1 299.414 3.879 20 0 CHADMN Cc1occc1CN(C)CCSCc1ccccc1 ZINC000430736381 1118765788 /nfs/dbraw/zinc/76/57/88/1118765788.db2.gz TXHAHXVQWCCCIF-UHFFFAOYSA-N 0 1 275.417 3.953 20 0 CHADMN CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001594930948 982556857 /nfs/dbraw/zinc/55/68/57/982556857.db2.gz DEQCMPOZWWNRDB-SSBZQZJYSA-N 0 1 291.391 3.778 20 0 CHADMN CCC[N@@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)C(C)C ZINC001595888145 982916126 /nfs/dbraw/zinc/91/61/26/982916126.db2.gz HGFKTQNDVJEMOY-UHFFFAOYSA-N 0 1 269.772 3.659 20 0 CHADMN CC(C)Cc1ccc(CN2CCC(C(F)F)CC2)cn1 ZINC000892057793 1118950009 /nfs/dbraw/zinc/95/00/09/1118950009.db2.gz MDKMIBMNJHNHHV-UHFFFAOYSA-N 0 1 282.378 3.757 20 0 CHADMN CCCCC1(NCc2ncc(C(C)(C)C)o2)CC1 ZINC000934209241 1118971787 /nfs/dbraw/zinc/97/17/87/1118971787.db2.gz LQAIKCOKBYNDTI-UHFFFAOYSA-N 0 1 250.386 3.785 20 0 CHADMN Cc1csc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)n1 ZINC000130913375 1125486158 /nfs/dbraw/zinc/48/61/58/1125486158.db2.gz AIWGEOVFDXQKFV-AWEZNQCLSA-N 0 1 290.407 3.655 20 0 CHADMN CC[N@@H+](CCC1CC1)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001596320659 983750998 /nfs/dbraw/zinc/75/09/98/983750998.db2.gz GLRYNYKFBMHDAD-UHFFFAOYSA-N 0 1 281.783 3.660 20 0 CHADMN CC[N@@H+](Cc1ccccc1C(=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC001596371975 983876013 /nfs/dbraw/zinc/87/60/13/983876013.db2.gz YUTUWBJIFKNUDV-ZDUSSCGKSA-N 0 1 299.370 3.674 20 0 CHADMN CC(C)[C@@H](c1ccccc1)N(C)Cc1cn2cccnc2n1 ZINC000112699366 1125490073 /nfs/dbraw/zinc/49/00/73/1125490073.db2.gz MVOZYCMBFFYRHL-KRWDZBQOSA-N 0 1 294.402 3.558 20 0 CHADMN C/C(=C/C[N@H+]1CCC(C)(C)[C@H](c2ccccc2)C1)C(=O)[O-] ZINC001588958051 984709154 /nfs/dbraw/zinc/70/91/54/984709154.db2.gz AUYDYEAGQYRHBM-MBSJSRAVSA-N 0 1 287.403 3.533 20 0 CHADMN C/C(=C\C[N@@H+](Cc1c(C)cccc1C)CC(C)C)C(=O)[O-] ZINC001588959133 984720178 /nfs/dbraw/zinc/72/01/78/984720178.db2.gz WAVBMNMAWSWZSL-CXUHLZMHSA-N 0 1 289.419 3.792 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2CCCc3sccc32)o1 ZINC000385618206 1119299181 /nfs/dbraw/zinc/29/91/81/1119299181.db2.gz PMPGGLRGOYXVMH-GFCCVEGCSA-N 0 1 262.378 3.520 20 0 CHADMN C/C(=C\c1ccccc1)C[N@H+](C)Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC001589004062 984961036 /nfs/dbraw/zinc/96/10/36/984961036.db2.gz VTTAZJCLCAZICR-UKTHLTGXSA-N 0 1 298.386 3.557 20 0 CHADMN CN(CCc1c(F)cccc1Cl)Cc1ccoc1 ZINC000343318830 1119383858 /nfs/dbraw/zinc/38/38/58/1119383858.db2.gz KRIWQFCSRRBXAF-UHFFFAOYSA-N 0 1 267.731 3.747 20 0 CHADMN Cc1cc(CN2CCC[C@@](C)(c3ccccc3)C2)no1 ZINC000113264912 1125492960 /nfs/dbraw/zinc/49/29/60/1125492960.db2.gz NPYFCTWWLVTWNK-QGZVFWFLSA-N 0 1 270.376 3.537 20 0 CHADMN C[C@@H]1CN(Cc2cnc(-c3ccsc3)s2)CCS1 ZINC000131366885 1125493205 /nfs/dbraw/zinc/49/32/05/1125493205.db2.gz SLLZPZVNWNBZQD-SNVBAGLBSA-N 0 1 296.486 3.809 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2F)[C@H]2CCCC[C@@H]12 ZINC001594537121 986158347 /nfs/dbraw/zinc/15/83/47/986158347.db2.gz VCQDVRWZRQVNGL-WPGHFRTFSA-N 0 1 291.366 3.534 20 0 CHADMN Clc1ccnc2c1CCC[C@H]2NCc1cccs1 ZINC000924557668 1119828009 /nfs/dbraw/zinc/82/80/09/1119828009.db2.gz QTGITVJGUHFLPM-CYBMUJFWSA-N 0 1 278.808 3.964 20 0 CHADMN CC1(C)CCC[C@H](NCc2nccc(C(F)(F)F)n2)C1 ZINC000414230185 1119948707 /nfs/dbraw/zinc/94/87/07/1119948707.db2.gz ANMORYRSYZJYJH-JTQLQIEISA-N 0 1 287.329 3.554 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+](C)[C@@H]1CCCC[C@H]1CC ZINC001597761410 989188405 /nfs/dbraw/zinc/18/84/05/989188405.db2.gz CSVUGKVTVXNSMA-TZMCWYRMSA-N 0 1 293.407 3.941 20 0 CHADMN CC[C@H](c1ccc(Br)cc1)N1CC[C@@H](OC)C1 ZINC000472577784 1119971613 /nfs/dbraw/zinc/97/16/13/1119971613.db2.gz CMQYPCATLGHDGZ-ZIAGYGMSSA-N 0 1 298.224 3.621 20 0 CHADMN CCC1CCC(N(C)Cc2nc(-c3ccco3)no2)CC1 ZINC000331867635 1125507211 /nfs/dbraw/zinc/50/72/11/1125507211.db2.gz DNLNMPXHXHNLHO-UHFFFAOYSA-N 0 1 289.379 3.730 20 0 CHADMN Cc1nc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2[nH]1 ZINC000348305243 1125507083 /nfs/dbraw/zinc/50/70/83/1125507083.db2.gz VAXCDXODELVVRV-UHFFFAOYSA-N 0 1 291.354 3.542 20 0 CHADMN COC[C@@H](CC(C)(C)C)N[C@@H](C)c1nc(C)sc1C ZINC000655831899 1120095830 /nfs/dbraw/zinc/09/58/30/1120095830.db2.gz OAUYACHXFVQVKD-GXFFZTMASA-N 0 1 284.469 3.862 20 0 CHADMN CC(C)[C@H](c1ccccc1)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC001591052801 991462181 /nfs/dbraw/zinc/46/21/81/991462181.db2.gz WVOGIMMDMWLCME-MRXNPFEDSA-N 0 1 275.392 3.570 20 0 CHADMN C[N@@H+](C/C=C\c1cccc(F)c1)C1(C(=O)[O-])CCCCC1 ZINC001598468976 991994690 /nfs/dbraw/zinc/99/46/90/991994690.db2.gz VGCKGAIDZUKXGI-VURMDHGXSA-N 0 1 291.366 3.558 20 0 CHADMN CC(C)C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2)C1 ZINC001591207484 992040862 /nfs/dbraw/zinc/04/08/62/992040862.db2.gz NRUZYCQRICDXAF-GOEBONIOSA-N 0 1 275.392 3.570 20 0 CHADMN C[C@H](NCc1c(F)cccc1Cl)[C@@H]1CCCCO1 ZINC000393652919 1120207981 /nfs/dbraw/zinc/20/79/81/1120207981.db2.gz RDWPNLKHGNXKOM-HZMBPMFUSA-N 0 1 271.763 3.526 20 0 CHADMN C[N@H+](Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)CC1CCC1 ZINC001598508752 992539942 /nfs/dbraw/zinc/53/99/42/992539942.db2.gz ABCQQYFVMBBPBW-UHFFFAOYSA-N 0 1 299.370 3.877 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)[C@H](C)c1ccsc1 ZINC001591596394 992821558 /nfs/dbraw/zinc/82/15/58/992821558.db2.gz AEQSFUXSZFTUDQ-LLVKDONJSA-N 0 1 292.404 3.746 20 0 CHADMN CC(C)[N@@H+](Cc1occc1C(=O)[O-])Cc1ccc(F)cc1 ZINC001591596691 992823830 /nfs/dbraw/zinc/82/38/30/992823830.db2.gz MUKSRLRUWBQUON-UHFFFAOYSA-N 0 1 291.322 3.528 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])cn1)[C@H](C)c1ccccc1 ZINC001591597022 992826847 /nfs/dbraw/zinc/82/68/47/992826847.db2.gz VVPITUCYECQYPH-CQSZACIVSA-N 0 1 298.386 3.751 20 0 CHADMN CC(C)[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC001591597114 992827574 /nfs/dbraw/zinc/82/75/74/992827574.db2.gz XYLAYNSQJQROGP-ZDUSSCGKSA-N 0 1 286.375 3.685 20 0 CHADMN CS[C@@H](CNCc1nc(C(C)(C)C)co1)C(C)(C)C ZINC000921986820 1120319957 /nfs/dbraw/zinc/31/99/57/1120319957.db2.gz AVJXHASMLHGGLI-LBPRGKRZSA-N 0 1 284.469 3.839 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1ccc(Cl)s1 ZINC000078679688 1120399803 /nfs/dbraw/zinc/39/98/03/1120399803.db2.gz GKMDCPYLTGSXRH-ZETCQYMHSA-N 0 1 270.785 3.857 20 0 CHADMN CCCc1nc(CN[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)no1 ZINC000543473028 1120530161 /nfs/dbraw/zinc/53/01/61/1120530161.db2.gz SLAZWNGZXFMAIR-MELADBBJSA-N 0 1 279.428 3.573 20 0 CHADMN C[C@H](CO)[N@@H+](Cc1ccsc1Cl)C1CCCC1 ZINC000660369132 1120539047 /nfs/dbraw/zinc/53/90/47/1120539047.db2.gz ZNSOMKXIOAYQGR-SNVBAGLBSA-N 0 1 273.829 3.527 20 0 CHADMN C[C@H](CO)N(Cc1ccsc1Cl)C1CCCC1 ZINC000660369132 1120539054 /nfs/dbraw/zinc/53/90/54/1120539054.db2.gz ZNSOMKXIOAYQGR-SNVBAGLBSA-N 0 1 273.829 3.527 20 0 CHADMN CC1(C)[C@H](C(F)(F)F)CCN1Cc1cc(C2CC2)no1 ZINC000660388176 1120572168 /nfs/dbraw/zinc/57/21/68/1120572168.db2.gz JTFJTEAONONWQO-GFCCVEGCSA-N 0 1 288.313 3.715 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1cncc(F)c1 ZINC000922667916 1120574959 /nfs/dbraw/zinc/57/49/59/1120574959.db2.gz VFNDPWRBTVDBLQ-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN COc1cccc(CN2CCS[C@@H](C)CC2)c1Cl ZINC000660411975 1120587890 /nfs/dbraw/zinc/58/78/90/1120587890.db2.gz ATDIITQJEGOALM-NSHDSACASA-N 0 1 285.840 3.676 20 0 CHADMN FC1(F)CCC[C@@H]1NC[C@H]1C[C@@H]1c1ccccc1 ZINC000673618560 1120602333 /nfs/dbraw/zinc/60/23/33/1120602333.db2.gz QVHZEVIKEYIPRV-MCIONIFRSA-N 0 1 251.320 3.568 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1cncs1 ZINC000282393721 1120612578 /nfs/dbraw/zinc/61/25/78/1120612578.db2.gz PDHYTXQLWQRSPE-JTQLQIEISA-N 0 1 264.419 3.716 20 0 CHADMN CC1(C)CCC(C)(C)[N@@H+](C[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001593874647 996690953 /nfs/dbraw/zinc/69/09/53/996690953.db2.gz XLEAMSWGFIZGHJ-KBPBESRZSA-N 0 1 281.440 3.778 20 0 CHADMN CC1(C)CCCC[C@H]1C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC001593904568 996782672 /nfs/dbraw/zinc/78/26/72/996782672.db2.gz GXIUTNKAUOMNPJ-ZDUSSCGKSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)C1 ZINC001594345376 999306741 /nfs/dbraw/zinc/30/67/41/999306741.db2.gz BAKABRXUAOLQDI-JSRQGNBESA-N 0 1 293.451 3.778 20 0 CHADMN Cc1cc(F)cc(CN2CC(C)(C)OC(C)(C)C2)c1 ZINC001143618969 1121587388 /nfs/dbraw/zinc/58/73/88/1121587388.db2.gz HNTQXNMBVGGBKV-UHFFFAOYSA-N 0 1 265.372 3.524 20 0 CHADMN CC(C)c1noc(CN(C)C2CCC(C(C)C)CC2)n1 ZINC000433140024 1121592389 /nfs/dbraw/zinc/59/23/89/1121592389.db2.gz DOKZRHUASDGNIR-UHFFFAOYSA-N 0 1 279.428 3.840 20 0 CHADMN CC(C)n1ncnc1CN(C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419335194 1121663753 /nfs/dbraw/zinc/66/37/53/1121663753.db2.gz OCCIGZIOHSAQKK-KGLIPLIRSA-N 0 1 278.444 3.506 20 0 CHADMN CC(C)c1nsc(CN2CC[C@H](C(C)(C)C)C2)n1 ZINC001119728214 1121870409 /nfs/dbraw/zinc/87/04/09/1121870409.db2.gz CBBUNWWXMZLTOO-NSHDSACASA-N 0 1 267.442 3.530 20 0 CHADMN CC(C)(F)CNCc1ccccc1OC1CCCC1 ZINC001179314750 1121871603 /nfs/dbraw/zinc/87/16/03/1121871603.db2.gz DFORFQWERBKDFF-UHFFFAOYSA-N 0 1 265.372 3.846 20 0 CHADMN O=C(C1CCN([C@H]2C=CCCCCC2)CC1)C(F)(F)F ZINC000815094003 1121913181 /nfs/dbraw/zinc/91/31/81/1121913181.db2.gz XOFUFSQOKWZLLW-ZDUSSCGKSA-N 0 1 289.341 3.719 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc([O-])c(F)c1F ZINC001180093445 1121941394 /nfs/dbraw/zinc/94/13/94/1121941394.db2.gz STYKZHVVFILKDW-GFCCVEGCSA-N 0 1 269.335 3.681 20 0 CHADMN C[C@]1(F)CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000501433533 1121977272 /nfs/dbraw/zinc/97/72/72/1121977272.db2.gz HCYGECHMNSZWTM-ZDUSSCGKSA-N 0 1 291.288 3.518 20 0 CHADMN C[C@]1(F)CCN(CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000501433533 1121977276 /nfs/dbraw/zinc/97/72/76/1121977276.db2.gz HCYGECHMNSZWTM-ZDUSSCGKSA-N 0 1 291.288 3.518 20 0 CHADMN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C[C@@H]1CCCC(C)(C)C1 ZINC001181675554 1122070737 /nfs/dbraw/zinc/07/07/37/1122070737.db2.gz SNJBGKWFSMKNRR-JHJVBQTASA-N 0 1 293.373 3.854 20 0 CHADMN C[C@@H]1C[C@H](NCc2csc(-c3ccsc3)n2)CS1 ZINC000414505066 1122080560 /nfs/dbraw/zinc/08/05/60/1122080560.db2.gz UGHCXCHQDOPKAN-KOLCDFICSA-N 0 1 296.486 3.855 20 0 CHADMN CC[C@H]1CCCC[C@H]1CN(C)Cc1csnc1OC ZINC001183991916 1122251411 /nfs/dbraw/zinc/25/14/11/1122251411.db2.gz OSUZHHSVSXGDNJ-STQMWFEESA-N 0 1 282.453 3.800 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1 ZINC000430090982 1122399681 /nfs/dbraw/zinc/39/96/81/1122399681.db2.gz UWACQAXFTJFUGE-KGLIPLIRSA-N 0 1 269.310 3.611 20 0 CHADMN CN(Cc1coc(-c2ccc(F)cc2)n1)C(C)(C)C ZINC000515350410 1122492423 /nfs/dbraw/zinc/49/24/23/1122492423.db2.gz VJDJOHKLQDPWOZ-UHFFFAOYSA-N 0 1 262.328 3.711 20 0 CHADMN CCC[C@@H](C)CCCN1CCN(C(=O)OCC(C)C)CC1 ZINC001190740911 1122553856 /nfs/dbraw/zinc/55/38/56/1122553856.db2.gz BCRXCWNHAXGXEZ-MRXNPFEDSA-N 0 1 298.471 3.613 20 0 CHADMN CC[C@H](C)CN(C)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000436578645 1122562941 /nfs/dbraw/zinc/56/29/41/1122562941.db2.gz AROGQZZQRCHYGO-QMMMGPOBSA-N 0 1 290.190 3.817 20 0 CHADMN CC1(C)CN(CCOc2ccc(F)cc2Cl)C1(C)C ZINC001191389089 1122595327 /nfs/dbraw/zinc/59/53/27/1122595327.db2.gz CRIWHQPYEZRWKD-UHFFFAOYSA-N 0 1 285.790 3.978 20 0 CHADMN CC(C)(C)c1cc(CN2CCCC(C)(C)CC2)no1 ZINC000438975697 1122744644 /nfs/dbraw/zinc/74/46/44/1122744644.db2.gz HACQPMCPUYBAKO-UHFFFAOYSA-N 0 1 264.413 3.984 20 0 CHADMN CC(C)(C)c1csc(CN2CC[C@@H]3CCC[C@@H]32)n1 ZINC000426475710 1122801246 /nfs/dbraw/zinc/80/12/46/1122801246.db2.gz ZGZLYYJCXDLRMP-RYUDHWBXSA-N 0 1 264.438 3.815 20 0 CHADMN C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2)CC[C@@H]1O ZINC001203808327 1122869324 /nfs/dbraw/zinc/86/93/24/1122869324.db2.gz IMWWELXKGVXTDD-HZMBPMFUSA-N 0 1 288.218 3.586 20 0 CHADMN CCCCN(Cc1cnc([C@H]2CCCO2)s1)C1CC1 ZINC000507245209 1122943882 /nfs/dbraw/zinc/94/38/82/1122943882.db2.gz WYLJDIUIZARAEO-CQSZACIVSA-N 0 1 280.437 3.759 20 0 CHADMN CO[C@]1(C)CCCN([C@@H](C)c2c(F)cccc2F)C1 ZINC000348223394 1122979845 /nfs/dbraw/zinc/97/98/45/1122979845.db2.gz GSDXSPKXXPLKGE-XHDPSFHLSA-N 0 1 269.335 3.527 20 0 CHADMN CCN(Cc1nc(C(C)C)no1)[C@@H]1CCCC[C@@H]1C ZINC000189253998 1123137094 /nfs/dbraw/zinc/13/70/94/1123137094.db2.gz GNZHZYLTKRTDEW-QWHCGFSZSA-N 0 1 265.401 3.594 20 0 CHADMN Cc1nnsc1CN[C@H]1CC[C@H](C)c2ccsc21 ZINC000334530239 1123243641 /nfs/dbraw/zinc/24/36/41/1123243641.db2.gz IFBCDLXDBMZPDR-KWQFWETISA-N 0 1 279.434 3.636 20 0 CHADMN Cc1nc(C(C)C)oc1C[N@H+]1CCCC(C)(C)C1 ZINC000428247562 1123309119 /nfs/dbraw/zinc/30/91/19/1123309119.db2.gz KCKZLVHZJLORAD-UHFFFAOYSA-N 0 1 250.386 3.728 20 0 CHADMN CC(C)CN(Cc1noc(C(C)C)n1)C1CCCC1 ZINC000346731554 1123325210 /nfs/dbraw/zinc/32/52/10/1123325210.db2.gz KXTXMYXNAXJCSO-UHFFFAOYSA-N 0 1 265.401 3.594 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@H](C2CC2)C1 ZINC000367026763 1123360803 /nfs/dbraw/zinc/36/08/03/1123360803.db2.gz CLKZRSGPXJLCBI-AAEUAGOBSA-N 0 1 262.397 3.765 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1C[C@H](C)OC[C@@H]1C ZINC000443417765 1123395896 /nfs/dbraw/zinc/39/58/96/1123395896.db2.gz QVWOLPIPCXKISC-RYUDHWBXSA-N 0 1 287.325 3.623 20 0 CHADMN CSc1ccc(CN2CC(c3ccccc3)C2)o1 ZINC000895419645 1123478688 /nfs/dbraw/zinc/47/86/88/1123478688.db2.gz WEVYKYDWJBQFJQ-UHFFFAOYSA-N 0 1 259.374 3.601 20 0 CHADMN CCCC[C@H](C(=O)OCc1nnc(C(C)(C)C)[nH]1)C(C)C ZINC000857030193 1123579648 /nfs/dbraw/zinc/57/96/48/1123579648.db2.gz DQYKVXJQIDCLOL-LBPRGKRZSA-N 0 1 295.427 3.608 20 0 CHADMN CCCC[C@H](C(=O)OCc1n[nH]c(C(C)(C)C)n1)C(C)C ZINC000857030193 1123579650 /nfs/dbraw/zinc/57/96/50/1123579650.db2.gz DQYKVXJQIDCLOL-LBPRGKRZSA-N 0 1 295.427 3.608 20 0 CHADMN F[C@@H]1CCCC[C@H]1N[C@H]1CCc2ccc(Cl)nc21 ZINC000857917198 1123626933 /nfs/dbraw/zinc/62/69/33/1123626933.db2.gz WRMSRAKREMPOAO-UTUOFQBUSA-N 0 1 268.763 3.593 20 0 CHADMN Cc1cn[nH]c1CNc1cccc(SC(F)(F)F)c1 ZINC000858319047 1123644456 /nfs/dbraw/zinc/64/44/56/1123644456.db2.gz XRNUBVYFACPZGO-UHFFFAOYSA-N 0 1 287.310 3.942 20 0 CHADMN Cc1cc(Cl)cc(C)c1CNCc1ccnc(F)c1 ZINC000865722601 1124008047 /nfs/dbraw/zinc/00/80/47/1124008047.db2.gz LSTUOUKEJIPSHI-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN CCCCCC[C@@H](CC)C(=O)N1CCN(C(C)C)CC1 ZINC000303642570 1124010459 /nfs/dbraw/zinc/01/04/59/1124010459.db2.gz IKPOFNPBBCOQBU-MRXNPFEDSA-N 0 1 282.472 3.536 20 0 CHADMN CC[C@H]1CCCC[C@H]1N(C)Cc1nc(C(C)(C)C)no1 ZINC000444681039 1124053758 /nfs/dbraw/zinc/05/37/58/1124053758.db2.gz YHQAHQGIOCUULK-QWHCGFSZSA-N 0 1 279.428 3.768 20 0 CHADMN CC[C@@H](NCc1nccc(C(F)(F)F)n1)C(C)(C)CC ZINC000872079684 1124677339 /nfs/dbraw/zinc/67/73/39/1124677339.db2.gz OBBANVWWHALCKS-SNVBAGLBSA-N 0 1 289.345 3.800 20 0 CHADMN Cc1cccc(CN2CC[C@H](CC(F)(F)F)C2)c1F ZINC000449282661 1124683043 /nfs/dbraw/zinc/68/30/43/1124683043.db2.gz IRDXKLWLLLADMX-LLVKDONJSA-N 0 1 275.289 3.908 20 0 CHADMN CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C)C[C@@H]1C ZINC000449497914 1124770678 /nfs/dbraw/zinc/77/06/78/1124770678.db2.gz KSFKJMFBYPHJOZ-BBRMVZONSA-N 0 1 281.827 3.895 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1ccnc(Cl)c1F ZINC000824395418 1131467149 /nfs/dbraw/zinc/46/71/49/1131467149.db2.gz FVCQYPRTVPJTKZ-MWLCHTKSSA-N 0 1 256.752 3.637 20 0 CHADMN C[N@H+](Cc1ccsc1C(F)(F)F)C[C@@H]1CCCOC1 ZINC000529527339 1124985691 /nfs/dbraw/zinc/98/56/91/1124985691.db2.gz BEIKUINFXXVCMJ-JTQLQIEISA-N 0 1 293.354 3.625 20 0 CHADMN CCC(CC)[C@@H](NCc1cnns1)c1cccs1 ZINC000450674118 1125084094 /nfs/dbraw/zinc/08/40/94/1125084094.db2.gz MMTKOTKDKOAYIE-CYBMUJFWSA-N 0 1 281.450 3.867 20 0 CHADMN Cc1cnc(CN[C@@H]2CCC[C@@H]2CCC(C)C)o1 ZINC000190983966 1125321788 /nfs/dbraw/zinc/32/17/88/1125321788.db2.gz MKPNWPMIUYJHIZ-ZIAGYGMSSA-N 0 1 250.386 3.678 20 0 CHADMN CC(=O)CCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000043697076 1125450090 /nfs/dbraw/zinc/45/00/90/1125450090.db2.gz FWYKMKRFFUTREA-UHFFFAOYSA-N 0 1 295.795 3.586 20 0 CHADMN CC(C)(C)C[C@H]1CCN(Cc2cc(F)ncc2F)C1 ZINC000825321358 1131506707 /nfs/dbraw/zinc/50/67/07/1131506707.db2.gz CSZCDCWKDCHTGS-LLVKDONJSA-N 0 1 268.351 3.618 20 0 CHADMN CCCOC1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC001138481735 1131511227 /nfs/dbraw/zinc/51/12/27/1131511227.db2.gz MQCONURZASBMJW-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN Cc1cnc(CN2CCCC[C@H](C)C2)cc1Br ZINC001143648033 1131521382 /nfs/dbraw/zinc/52/13/82/1131521382.db2.gz QLJAZDXBSTVHHI-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN CC(C)Oc1ccc(Cl)cc1CN1CC[C@@H](C)C1 ZINC001138958798 1131565076 /nfs/dbraw/zinc/56/50/76/1131565076.db2.gz MJZGTKRVMUPWAM-GFCCVEGCSA-N 0 1 267.800 3.969 20 0 CHADMN CC[C@@H](C)N(C)Cc1ccc(Br)nc1Cl ZINC001139110595 1131581777 /nfs/dbraw/zinc/58/17/77/1131581777.db2.gz UVTYLBIXEXSBJN-MRVPVSSYSA-N 0 1 291.620 3.728 20 0 CHADMN CC[C@H]1CO[C@](C)(CCC(C)C)[N@H+]1CC1(CC)COC1 ZINC001202962967 1131631614 /nfs/dbraw/zinc/63/16/14/1131631614.db2.gz RXMJOPDWYPTZHZ-JKSUJKDBSA-N 0 1 283.456 3.676 20 0 CHADMN CC[C@H]1CO[C@](C)(CCC(C)C)N1CC1(CC)COC1 ZINC001202962967 1131631615 /nfs/dbraw/zinc/63/16/15/1131631615.db2.gz RXMJOPDWYPTZHZ-JKSUJKDBSA-N 0 1 283.456 3.676 20 0 CHADMN COCc1ccc(CN(C)Cc2ccc(F)cc2)s1 ZINC001139824115 1131638875 /nfs/dbraw/zinc/63/88/75/1131638875.db2.gz PAXQTJKBFJASJO-UHFFFAOYSA-N 0 1 279.380 3.666 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1cc(C(F)(F)F)ccn1 ZINC001140109417 1131663652 /nfs/dbraw/zinc/66/36/52/1131663652.db2.gz MERXTTWQPZLRBB-ZDUSSCGKSA-N 0 1 272.314 3.721 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(Cl)c(C)c2)cn1 ZINC001141237699 1132055849 /nfs/dbraw/zinc/05/58/49/1132055849.db2.gz WTECWDCEXVAOTO-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cn1c(Br)ccc1CN1CCC[C@H]2CCC[C@@H]21 ZINC001248776198 1132088143 /nfs/dbraw/zinc/08/81/43/1132088143.db2.gz KVJCTMYZNVRPFR-YPMHNXCESA-N 0 1 297.240 3.552 20 0 CHADMN CC[C@H](C)OCC[C@H](C)N1CCC[C@@H]1c1nccs1 ZINC001172352703 1132183216 /nfs/dbraw/zinc/18/32/16/1132183216.db2.gz IKRQLEQCHPPANF-MELADBBJSA-N 0 1 282.453 3.874 20 0 CHADMN F[C@H]1CCCN(Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001141583646 1132191696 /nfs/dbraw/zinc/19/16/96/1132191696.db2.gz NDOINOUZDRJFPF-LBPRGKRZSA-N 0 1 266.747 3.755 20 0 CHADMN CCC[C@H](C)Oc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC001231044145 1132247152 /nfs/dbraw/zinc/24/71/52/1132247152.db2.gz GGHCWBRFSZMQPO-LURJTMIESA-N 0 1 274.151 3.832 20 0 CHADMN C[C@H](CSc1ccc(Cl)cc1)N[C@@H]1C[C@H]1F ZINC001172876628 1132354090 /nfs/dbraw/zinc/35/40/90/1132354090.db2.gz AFYURFNXGQLYPL-GGZOMVNGSA-N 0 1 259.777 3.521 20 0 CHADMN CCN([C@@H](C)CSc1ccc(Cl)cc1)C1COC1 ZINC001172880297 1132355804 /nfs/dbraw/zinc/35/58/04/1132355804.db2.gz BTICKHQKBNIZPK-NSHDSACASA-N 0 1 285.840 3.541 20 0 CHADMN CCCC[C@@H](CC(C)C)NCc1nc(C2CC2)no1 ZINC001173254436 1132424035 /nfs/dbraw/zinc/42/40/35/1132424035.db2.gz XLYAKTBEFKJHTP-ZDUSSCGKSA-N 0 1 265.401 3.642 20 0 CHADMN Clc1cc(CN2CC[C@H](c3cccnc3)C2)cs1 ZINC001142768511 1132443769 /nfs/dbraw/zinc/44/37/69/1132443769.db2.gz FBHMEEHWWKBCJC-ZDUSSCGKSA-N 0 1 278.808 3.786 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Br)co2)CC1 ZINC001232852063 1132530585 /nfs/dbraw/zinc/53/05/85/1132530585.db2.gz KZHHPLZCMJIJEL-SNVBAGLBSA-N 0 1 272.186 3.664 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCC(C)(C)CC1 ZINC001233020540 1132564450 /nfs/dbraw/zinc/56/44/50/1132564450.db2.gz LYFXDMAHXOOLLU-UHFFFAOYSA-N 0 1 281.421 3.547 20 0 CHADMN CCOc1ncc(Cl)cc1CN(CC1CC1)C1CC1 ZINC001233173718 1132578637 /nfs/dbraw/zinc/57/86/37/1132578637.db2.gz MQWALWYCABXEEX-UHFFFAOYSA-N 0 1 280.799 3.508 20 0 CHADMN COc1nscc1CN1CC(C)(C)CCC1(C)C ZINC001174726315 1132966405 /nfs/dbraw/zinc/96/64/05/1132966405.db2.gz VIPZGSIZMVCHOQ-UHFFFAOYSA-N 0 1 268.426 3.552 20 0 CHADMN FCCNCc1cccc(Oc2ccc(F)cc2)c1 ZINC001205588647 1133591873 /nfs/dbraw/zinc/59/18/73/1133591873.db2.gz AOBJZIPZPYGGCO-UHFFFAOYSA-N 0 1 263.287 3.677 20 0 CHADMN CC(C)c1nnc(CN[C@@H]2C[C@H]2CC(C)(C)C)s1 ZINC001206568204 1133719666 /nfs/dbraw/zinc/71/96/66/1133719666.db2.gz KBKIKRYXCJQIJB-WDEREUQCSA-N 0 1 267.442 3.576 20 0 CHADMN CCCCN(C)Cc1c(C)nn(C(=O)OC(C)(C)C)c1C ZINC001206805357 1133750832 /nfs/dbraw/zinc/75/08/32/1133750832.db2.gz YBCNPUUUPVHOKH-UHFFFAOYSA-N 0 1 295.427 3.515 20 0 CHADMN COC(C)(C)CCC[C@@H](C)CCN1CCC(=O)C[C@@H]1C ZINC001208202803 1133906895 /nfs/dbraw/zinc/90/68/95/1133906895.db2.gz OCFBQDPMOCYZRL-CABCVRRESA-N 0 1 283.456 3.661 20 0 CHADMN OCc1ccccc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210927695 1134329282 /nfs/dbraw/zinc/32/92/82/1134329282.db2.gz ONIXWEHBDHNKQG-UHFFFAOYSA-N 0 1 284.142 3.935 20 0 CHADMN CCc1cnc(Nc2cc(Cl)c(O)c(Cl)c2)cn1 ZINC001210924516 1134329640 /nfs/dbraw/zinc/32/96/40/1134329640.db2.gz LXHGYYJMLLVZHZ-UHFFFAOYSA-N 0 1 284.146 3.795 20 0 CHADMN CCc1cccnc1Nc1ccc(Cl)c(O)c1F ZINC001214793427 1134572900 /nfs/dbraw/zinc/57/29/00/1134572900.db2.gz DYCFVCQPMRNHEK-UHFFFAOYSA-N 0 1 266.703 3.886 20 0 CHADMN Nc1ccnc(Cl)c1Nc1ccc(Cl)c(O)c1F ZINC001214794019 1134573697 /nfs/dbraw/zinc/57/36/97/1134573697.db2.gz VCQLXLPLOHHEQN-UHFFFAOYSA-N 0 1 288.109 3.559 20 0 CHADMN CCCCc1nc(Cl)c(CN2C[C@H]3CCC[C@@H]3C2)[nH]1 ZINC000193967434 1135157358 /nfs/dbraw/zinc/15/73/58/1135157358.db2.gz QLXFKOQXUAJQSD-VXGBXAGGSA-N 0 1 281.831 3.638 20 0 CHADMN CC(C)C[C@@H]1CCCN1Cc1noc(-c2ccsc2)n1 ZINC000134126117 1125515905 /nfs/dbraw/zinc/51/59/05/1125515905.db2.gz WLDHUQMHQIUKBX-ZDUSSCGKSA-N 0 1 291.420 3.809 20 0 CHADMN C[C@H](NCc1ccc(F)c(Cl)c1)c1ccncc1 ZINC000053150146 1125520333 /nfs/dbraw/zinc/52/03/33/1125520333.db2.gz UIPAMLOBMPCQSB-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN CC(C)CC[C@@H]1CCCN1Cc1nnc(C(C)C)o1 ZINC000135309439 1125524090 /nfs/dbraw/zinc/52/40/90/1125524090.db2.gz KHMFSVQDVRCWMH-ZDUSSCGKSA-N 0 1 265.401 3.594 20 0 CHADMN C[C@H](c1cccnc1)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000118835618 1125525901 /nfs/dbraw/zinc/52/59/01/1125525901.db2.gz RYLFAQWVOCUBEM-DLBZAZTESA-N 0 1 295.430 3.521 20 0 CHADMN CC(C)CCCO[C@H]1CCN2Cc3ccccc3N=C12 ZINC001205976929 1125528013 /nfs/dbraw/zinc/52/80/13/1125528013.db2.gz MNWSZDDPBKBSDP-INIZCTEOSA-N 0 1 272.392 3.757 20 0 CHADMN Cc1nc(CNC(C)(C)c2cccs2)sc1C ZINC000348314429 1125531012 /nfs/dbraw/zinc/53/10/12/1125531012.db2.gz FROLYVSCKMKQOH-UHFFFAOYSA-N 0 1 266.435 3.846 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1nc(CC(C)C)no1)C1CC1 ZINC000060562715 1125544112 /nfs/dbraw/zinc/54/41/12/1125544112.db2.gz UFHVXSYGNCDIKV-OLZOCXBDSA-N 0 1 279.428 3.667 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccnc2Cl)s1 ZINC000729677800 1125540412 /nfs/dbraw/zinc/54/04/12/1125540412.db2.gz DZWZKAPDLRCYTF-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN CCn1cc([C@H](C)NCc2oc3ccccc3c2C)cn1 ZINC000120043012 1125540762 /nfs/dbraw/zinc/54/07/62/1125540762.db2.gz ANHLPJDOYVIPGX-ZDUSSCGKSA-N 0 1 283.375 3.808 20 0 CHADMN COCCCC[C@H](NCc1cnoc1C)c1ccccc1 ZINC000348320513 1125545360 /nfs/dbraw/zinc/54/53/60/1125545360.db2.gz NCCBBIOYIQIABR-KRWDZBQOSA-N 0 1 288.391 3.631 20 0 CHADMN CCc1nnc(CN2CCC[C@@H]2CC2CCCCC2)o1 ZINC000061040290 1125546535 /nfs/dbraw/zinc/54/65/35/1125546535.db2.gz HVYJHJILZOYCCZ-CQSZACIVSA-N 0 1 277.412 3.567 20 0 CHADMN CCC[C@H](C)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000061234168 1125546611 /nfs/dbraw/zinc/54/66/11/1125546611.db2.gz BQIXSKGSOCDPQX-BBRMVZONSA-N 0 1 299.418 3.971 20 0 CHADMN C[C@@H](NCc1cc(F)ccc1F)c1ccsc1 ZINC000061361134 1125546848 /nfs/dbraw/zinc/54/68/48/1125546848.db2.gz GOMJOKPLSSDCTR-SECBINFHSA-N 0 1 253.317 3.877 20 0 CHADMN C[C@H](NCc1cccc(Br)c1)c1cncs1 ZINC000120858113 1125552104 /nfs/dbraw/zinc/55/21/04/1125552104.db2.gz YOQJXKAUMZBAIV-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN Cc1nnc(CN(CCC(C)C)C2CCCC2)s1 ZINC000358509100 1125553666 /nfs/dbraw/zinc/55/36/66/1125553666.db2.gz NBHVBPCZRWVNGL-UHFFFAOYSA-N 0 1 267.442 3.637 20 0 CHADMN C[C@H](N[C@H]1CC[C@H](F)C1)c1nc(C(F)(F)F)cs1 ZINC000348323486 1125554667 /nfs/dbraw/zinc/55/46/67/1125554667.db2.gz NJEQSBUKOPJDHW-FXQIFTODSA-N 0 1 282.306 3.703 20 0 CHADMN CC(C)(NCc1ccncc1Cl)c1cccs1 ZINC000348323855 1125554769 /nfs/dbraw/zinc/55/47/69/1125554769.db2.gz PRXHRDSDWMNDIF-UHFFFAOYSA-N 0 1 266.797 3.821 20 0 CHADMN Cc1cc(CN2C[C@H](c3ccc(F)cc3)C[C@@H]2C)no1 ZINC000121379061 1125559004 /nfs/dbraw/zinc/55/90/04/1125559004.db2.gz QGBCUAIAGVMTCZ-SMDDNHRTSA-N 0 1 274.339 3.500 20 0 CHADMN Cc1ccc2nc(CN3CCC(F)(F)CC3)ccc2c1 ZINC001137209843 1125565079 /nfs/dbraw/zinc/56/50/79/1125565079.db2.gz VZEHKZLAXBGVJL-UHFFFAOYSA-N 0 1 276.330 3.774 20 0 CHADMN C[C@H]1CCCN1[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000245440789 1125570714 /nfs/dbraw/zinc/57/07/14/1125570714.db2.gz GSTLIVOEIIYBHH-MAUKXSAKSA-N 0 1 294.398 3.851 20 0 CHADMN Cc1nc2ccc(Nc3ccnn3C3CCC3)cc2[nH]1 ZINC001213072197 1125581401 /nfs/dbraw/zinc/58/14/01/1125581401.db2.gz HUCXYKJWRUXKIK-UHFFFAOYSA-N 0 1 267.336 3.536 20 0 CHADMN Fc1ccc(CNCc2cncc3ccccc32)c(F)c1 ZINC000135377205 1125588343 /nfs/dbraw/zinc/58/83/43/1125588343.db2.gz VAJZTEKUOIURBO-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H]2CC[C@@H](F)C2)cs1 ZINC000348333281 1125591337 /nfs/dbraw/zinc/59/13/37/1125591337.db2.gz YEEWJATYXSEJRN-AXFHLTTASA-N 0 1 256.390 3.808 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H]2CC[C@H](F)C2)cs1 ZINC000348333283 1125592024 /nfs/dbraw/zinc/59/20/24/1125592024.db2.gz YEEWJATYXSEJRN-GARJFASQSA-N 0 1 256.390 3.808 20 0 CHADMN CCC[C@@H](O)CNCc1c(Cl)ccc(Cl)c1Cl ZINC000134554779 1125598366 /nfs/dbraw/zinc/59/83/66/1125598366.db2.gz MMDKSCBOGVIZTL-MRVPVSSYSA-N 0 1 296.625 3.897 20 0 CHADMN CCc1nc(CN[C@H](C)[C@@H]2C[C@H]2c2cccs2)co1 ZINC000841758731 1125600170 /nfs/dbraw/zinc/60/01/70/1125600170.db2.gz UWGGRIBOCPKKAJ-KGYLQXTDSA-N 0 1 276.405 3.580 20 0 CHADMN Clc1cccc2c1C[C@H](N1Cc3cccnc3C1)CC2 ZINC001170922694 1131230948 /nfs/dbraw/zinc/23/09/48/1131230948.db2.gz YWVQSRRHMCPXJS-CQSZACIVSA-N 0 1 284.790 3.608 20 0 CHADMN CCCCc1noc([C@H](C)N(C)CC2CCCC2)n1 ZINC000533397826 1125604573 /nfs/dbraw/zinc/60/45/73/1125604573.db2.gz OKJUBVCRFUSSKP-LBPRGKRZSA-N 0 1 265.401 3.595 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000533448368 1125608970 /nfs/dbraw/zinc/60/89/70/1125608970.db2.gz LBSDRLAOXTZOGV-NEPJUHHUSA-N 0 1 291.826 3.847 20 0 CHADMN Cc1nc(CN(C2CC2)C2CCCC2)c(C)s1 ZINC000533557589 1125614481 /nfs/dbraw/zinc/61/44/81/1125614481.db2.gz CEVJNEXWNKRRCH-UHFFFAOYSA-N 0 1 250.411 3.667 20 0 CHADMN CCc1noc([C@@H](C)N2CCC[C@]3(CC=CCC3)C2)n1 ZINC000246333322 1125619842 /nfs/dbraw/zinc/61/98/42/1125619842.db2.gz GXKSTVBULJTCAU-CZUORRHYSA-N 0 1 275.396 3.515 20 0 CHADMN Cc1ccc(CN[C@H]2CCSc3ccccc32)o1 ZINC000034996537 1125620703 /nfs/dbraw/zinc/62/07/03/1125620703.db2.gz DBFLGGKFLNGNCR-AWEZNQCLSA-N 0 1 259.374 3.915 20 0 CHADMN Cc1ncc(CNCc2cc3cc(Cl)cnc3o2)s1 ZINC001649171156 1125623041 /nfs/dbraw/zinc/62/30/41/1125623041.db2.gz KGCRQUOFVXYSKW-UHFFFAOYSA-N 0 1 293.779 3.536 20 0 CHADMN CC[C@H](NCc1ccc2c[nH]nc2c1)c1nc(C)cs1 ZINC000105502615 1125624689 /nfs/dbraw/zinc/62/46/89/1125624689.db2.gz IUEGCAIDPAYZCM-ZDUSSCGKSA-N 0 1 286.404 3.569 20 0 CHADMN Cc1[nH]nc(CNc2ccc(Br)c(C)c2)c1C ZINC000885930698 1125626753 /nfs/dbraw/zinc/62/67/53/1125626753.db2.gz DYVKTESWNXMSAR-UHFFFAOYSA-N 0 1 294.196 3.710 20 0 CHADMN Cc1[nH]nc(CNc2cccc(COC(C)C)c2)c1C ZINC000885943729 1125628532 /nfs/dbraw/zinc/62/85/32/1125628532.db2.gz BHJXCUNDAJSXJP-UHFFFAOYSA-N 0 1 273.380 3.564 20 0 CHADMN Cc1coc(CN[C@@H](C)[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000886005428 1125635196 /nfs/dbraw/zinc/63/51/96/1125635196.db2.gz ASCRREWDYAAPDZ-ZUZCIYMTSA-N 0 1 297.757 3.592 20 0 CHADMN Cc1coc(CNC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000885983797 1125632563 /nfs/dbraw/zinc/63/25/63/1125632563.db2.gz POVHIARJQUQQOC-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN CCc1cnc(CNC/C=C/c2cccc(F)c2)s1 ZINC000886001523 1125633882 /nfs/dbraw/zinc/63/38/82/1125633882.db2.gz BTRUSVWTHBGGNU-GQCTYLIASA-N 0 1 276.380 3.648 20 0 CHADMN C[C@H]1CN(Cc2nccs2)CC[C@H]1c1ccccc1 ZINC000246426289 1125633922 /nfs/dbraw/zinc/63/39/22/1125633922.db2.gz CJJWXVJARISRIV-DZGCQCFKSA-N 0 1 272.417 3.769 20 0 CHADMN CCc1noc(CC)c1CNC/C=C\c1cccc(F)c1 ZINC000886015241 1125636605 /nfs/dbraw/zinc/63/66/05/1125636605.db2.gz YUNIUWMSCFBTLC-VURMDHGXSA-N 0 1 288.366 3.742 20 0 CHADMN CCCCOc1ccccc1NCc1n[nH]c(C)c1C ZINC000886027545 1125639112 /nfs/dbraw/zinc/63/91/12/1125639112.db2.gz GLBWCVOSEMCZKM-UHFFFAOYSA-N 0 1 273.380 3.818 20 0 CHADMN CN(C)Cc1ccc(NCc2ccc(Cl)cn2)cc1F ZINC000886039065 1125639847 /nfs/dbraw/zinc/63/98/47/1125639847.db2.gz HIFRMYOONUBFSW-UHFFFAOYSA-N 0 1 293.773 3.548 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1c(F)cccc1Cl ZINC000074819861 1125642211 /nfs/dbraw/zinc/64/22/11/1125642211.db2.gz VJFYAAJDJFSCEG-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN Cc1[nH]nc(CNc2cccc(C)c2Br)c1C ZINC000886068128 1125643267 /nfs/dbraw/zinc/64/32/67/1125643267.db2.gz SBRBJNKKYZIBTN-UHFFFAOYSA-N 0 1 294.196 3.710 20 0 CHADMN CC[C@](C)(NCCOC1CCCCC1)c1nccs1 ZINC000886069741 1125644917 /nfs/dbraw/zinc/64/49/17/1125644917.db2.gz KJCJAWNKTOCHIQ-HNNXBMFYSA-N 0 1 282.453 3.707 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccco1 ZINC000246894717 1125650486 /nfs/dbraw/zinc/65/04/86/1125650486.db2.gz FAOMYJXZNODVPP-IAOVAPTHSA-N 0 1 271.360 3.851 20 0 CHADMN CCc1nc([C@@H](C)NCCSC(F)(F)F)cs1 ZINC000886129716 1125653928 /nfs/dbraw/zinc/65/39/28/1125653928.db2.gz MAUUUVRWRJEUFG-SSDOTTSWSA-N 0 1 284.372 3.609 20 0 CHADMN C[C@H]1CCN(Cc2ccncc2)[C@@H](c2ccco2)C1 ZINC000247506512 1125658145 /nfs/dbraw/zinc/65/81/45/1125658145.db2.gz MDKCFIGFPOFWGA-DZGCQCFKSA-N 0 1 256.349 3.648 20 0 CHADMN C[C@@H]1C[C@H](c2cccc(F)c2)N(Cc2ccccn2)C1 ZINC000075842884 1125658189 /nfs/dbraw/zinc/65/81/89/1125658189.db2.gz IHTYFAVBLWZZRR-CXAGYDPISA-N 0 1 270.351 3.804 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N(C)Cc1nccn1CC ZINC000075885927 1125659563 /nfs/dbraw/zinc/65/95/63/1125659563.db2.gz DFKLZKDKFYTNFV-QGZVFWFLSA-N 0 1 285.435 3.665 20 0 CHADMN C[C@@H]1CCN(Cc2cnc3ccccn23)[C@@H](c2ccco2)C1 ZINC000247655178 1125659604 /nfs/dbraw/zinc/65/96/04/1125659604.db2.gz PODAFVGEIJHLLY-GDBMZVCRSA-N 0 1 295.386 3.901 20 0 CHADMN CC[C@@H](C)CN(CC)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000248358479 1125664338 /nfs/dbraw/zinc/66/43/38/1125664338.db2.gz QVMTUEBWLODFMG-KGLIPLIRSA-N 0 1 297.443 3.671 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1CC[C@H](C)[C@H]1C ZINC000248370001 1125664694 /nfs/dbraw/zinc/66/46/94/1125664694.db2.gz WXSBYSBHWJESHR-WDEREUQCSA-N 0 1 276.405 3.942 20 0 CHADMN Cc1ncc(CN2C[C@H](C)[C@H]2c2ccccc2)s1 ZINC000248337998 1125664956 /nfs/dbraw/zinc/66/49/56/1125664956.db2.gz HPWPEFCWLCOLDQ-NHYWBVRUSA-N 0 1 258.390 3.645 20 0 CHADMN CCS[C@H]1CC[C@H](N(C)Cc2csc(CC)n2)C1 ZINC000076071580 1125665770 /nfs/dbraw/zinc/66/57/70/1125665770.db2.gz XIDZUMYEHMGIDH-STQMWFEESA-N 0 1 284.494 3.812 20 0 CHADMN CCS[C@@H]1CC[C@@H](N(C)Cc2cn3ccsc3n2)C1 ZINC000076069183 1125665892 /nfs/dbraw/zinc/66/58/92/1125665892.db2.gz UKCPJASUJJZFAN-CHWSQXEVSA-N 0 1 295.477 3.502 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@@H](C)O1 ZINC000248398461 1125667726 /nfs/dbraw/zinc/66/77/26/1125667726.db2.gz UDBHYSQZDRDGTC-BXUZGUMPSA-N 0 1 269.335 3.624 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2cccnc2)o1 ZINC000076120243 1125668488 /nfs/dbraw/zinc/66/84/88/1125668488.db2.gz PVKIWWNSZZXMNW-CJNGLKHVSA-N 0 1 270.376 3.956 20 0 CHADMN C[C@@H]1CCCN1Cc1csc(Cc2ccccc2)n1 ZINC000076114629 1125668919 /nfs/dbraw/zinc/66/89/19/1125668919.db2.gz DBSZVDOIUCPSTK-CYBMUJFWSA-N 0 1 272.417 3.718 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2cccnc2)o1 ZINC000076120245 1125669013 /nfs/dbraw/zinc/66/90/13/1125669013.db2.gz PVKIWWNSZZXMNW-BBRMVZONSA-N 0 1 270.376 3.956 20 0 CHADMN CCC[C@]1(C)CCCN([C@@H](C)c2nc(CC)no2)C1 ZINC000076145915 1125670208 /nfs/dbraw/zinc/67/02/08/1125670208.db2.gz PCUBLGBBXKDLTA-SWLSCSKDSA-N 0 1 265.401 3.595 20 0 CHADMN Cc1ccc(-c2csc(CN3C[C@@H]4C[C@@H]4C3)n2)cc1 ZINC000886347983 1125672867 /nfs/dbraw/zinc/67/28/67/1125672867.db2.gz CXWQAGXQXPPVRO-OKILXGFUSA-N 0 1 270.401 3.570 20 0 CHADMN COc1ccsc1CN[C@H]1CCc2c1cccc2F ZINC000886361395 1125673215 /nfs/dbraw/zinc/67/32/15/1125673215.db2.gz FVWNEQWELFNZCK-ZDUSSCGKSA-N 0 1 277.364 3.673 20 0 CHADMN Nc1ccc(Cl)cc1CN1CCCc2ccccc2C1 ZINC000093632123 1125673176 /nfs/dbraw/zinc/67/31/76/1125673176.db2.gz NUVQTWGIMIARDZ-UHFFFAOYSA-N 0 1 286.806 3.871 20 0 CHADMN CCC(CC)CN(CC)Cc1nccn1C(F)F ZINC000076198843 1125673961 /nfs/dbraw/zinc/67/39/61/1125673961.db2.gz HMUJJUXXZJTEKW-UHFFFAOYSA-N 0 1 259.344 3.536 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CC[C@@H](C)[C@H]2C)s1 ZINC000248706636 1125674097 /nfs/dbraw/zinc/67/40/97/1125674097.db2.gz ADCYRWRSXRTDCW-HTQZYQBOSA-N 0 1 278.343 3.701 20 0 CHADMN c1ccc([C@H](N[C@H]2CCc3cccnc32)[C@H]2CCCO2)cc1 ZINC000886517717 1125682717 /nfs/dbraw/zinc/68/27/17/1125682717.db2.gz OULJKEGNBDRYPT-SCTDSRPQSA-N 0 1 294.398 3.579 20 0 CHADMN c1ccc2c(c1)CSC[C@H]2N[C@@H]1CCc2cccnc21 ZINC000886516545 1125682776 /nfs/dbraw/zinc/68/27/76/1125682776.db2.gz NBJUVFISDDSUJJ-HZPDHXFCSA-N 0 1 282.412 3.647 20 0 CHADMN c1ccc2c(c1)OCCC[C@H]2N[C@@H]1CCc2cccnc21 ZINC000886520364 1125683213 /nfs/dbraw/zinc/68/32/13/1125683213.db2.gz CCGBAXFKXWFLGY-HZPDHXFCSA-N 0 1 280.371 3.572 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)C[C@@H]1CCCO1 ZINC000076752344 1125683717 /nfs/dbraw/zinc/68/37/17/1125683717.db2.gz IJIFGKBLXQYDJP-NEPJUHHUSA-N 0 1 253.773 3.512 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)C[C@@H]1CCCO1 ZINC000076752341 1125683825 /nfs/dbraw/zinc/68/38/25/1125683825.db2.gz IJIFGKBLXQYDJP-RYUDHWBXSA-N 0 1 253.773 3.512 20 0 CHADMN CO[C@H]1CCC[C@@H](Nc2ccc(CN(C)C)c(F)c2)CC1 ZINC000886585678 1125694333 /nfs/dbraw/zinc/69/43/33/1125694333.db2.gz DBHUOVBPYYSQHJ-ZBFHGGJFSA-N 0 1 294.414 3.647 20 0 CHADMN CC(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC000077465724 1125695880 /nfs/dbraw/zinc/69/58/80/1125695880.db2.gz FIHMQUDLIGVQKM-UHFFFAOYSA-N 0 1 285.734 3.842 20 0 CHADMN COc1cccc(C2(N[C@@H]3CCc4cccnc43)CCC2)c1 ZINC000886639879 1125700705 /nfs/dbraw/zinc/70/07/05/1125700705.db2.gz NGWRWFXXQMGOTN-QGZVFWFLSA-N 0 1 294.398 3.747 20 0 CHADMN c1coc(CN(CCc2ccncc2)Cc2cccs2)c1 ZINC000078316122 1125711370 /nfs/dbraw/zinc/71/13/70/1125711370.db2.gz NCEMNZZGSMGMLF-UHFFFAOYSA-N 0 1 298.411 3.981 20 0 CHADMN COc1ccc(CNCc2nccc3ccccc32)cc1F ZINC000237451714 1125718180 /nfs/dbraw/zinc/71/81/80/1125718180.db2.gz WPKRQZLBPMYXJY-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN Cc1ncsc1CN(C)C/C=C\c1ccccc1 ZINC000255224695 1125721301 /nfs/dbraw/zinc/72/13/01/1125721301.db2.gz JQOSXVGFTMWEDG-TWGQIWQCSA-N 0 1 258.390 3.597 20 0 CHADMN CC[C@@H](C)N[C@@H](c1ccco1)c1ccccc1OC ZINC000090534393 1125742009 /nfs/dbraw/zinc/74/20/09/1125742009.db2.gz KGHGTNVEDFAKKK-MLGOLLRUSA-N 0 1 259.349 3.766 20 0 CHADMN CN(Cc1ccco1)Cc1cccc(-c2ccncc2)c1 ZINC000162162738 1125741750 /nfs/dbraw/zinc/74/17/50/1125741750.db2.gz GPPBBBVWWMVMFH-UHFFFAOYSA-N 0 1 278.355 3.974 20 0 CHADMN COc1ccccc1[C@@H](N[C@@H](C)C1CC1)c1ccccn1 ZINC000090913234 1125747021 /nfs/dbraw/zinc/74/70/21/1125747021.db2.gz QKHAUZRVJLHGCN-SCLBCKFNSA-N 0 1 282.387 3.568 20 0 CHADMN C[C@@H](CN[C@@H](C)c1nccs1)Sc1ccccc1 ZINC000091730290 1125752322 /nfs/dbraw/zinc/75/23/22/1125752322.db2.gz VUHWNNABQKAKKI-RYUDHWBXSA-N 0 1 278.446 3.975 20 0 CHADMN Cc1ccc(CN(Cc2cnc(N)s2)C(C)C)s1 ZINC000261999354 1125749212 /nfs/dbraw/zinc/74/92/12/1125749212.db2.gz LDZZAVKGBWDIQH-UHFFFAOYSA-N 0 1 281.450 3.506 20 0 CHADMN CC(C)(C)C[C@H](NCc1nnc[nH]1)c1ccc(Cl)cc1 ZINC001118559542 1131231530 /nfs/dbraw/zinc/23/15/30/1131231530.db2.gz YPMAPLUKHHCPKN-ZDUSSCGKSA-N 0 1 292.814 3.725 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N(C)Cc2cnc(N)s2)c1 ZINC000262066050 1125750492 /nfs/dbraw/zinc/75/04/92/1125750492.db2.gz RQLKPZKHLNLKNP-GFCCVEGCSA-N 0 1 275.421 3.535 20 0 CHADMN CCOc1ccc(C2=CCN(Cc3cccnc3)CC2)cc1 ZINC000091810299 1125753975 /nfs/dbraw/zinc/75/39/75/1125753975.db2.gz HWLSXMHDFZCKRH-UHFFFAOYSA-N 0 1 294.398 3.770 20 0 CHADMN C[C@H](NC1(C2CC2)CCC1)c1nc(-c2ccccc2)no1 ZINC000887144847 1125754392 /nfs/dbraw/zinc/75/43/92/1125754392.db2.gz BYWMRZNTPVCUKA-LBPRGKRZSA-N 0 1 283.375 3.720 20 0 CHADMN Cc1ccc(CN(C)Cc2cnn(C(C)(C)C)c2)s1 ZINC000093049472 1125764286 /nfs/dbraw/zinc/76/42/86/1125764286.db2.gz KAEAJVCEWWYDEX-UHFFFAOYSA-N 0 1 277.437 3.640 20 0 CHADMN Cc1cccnc1CNC1(c2ccccc2)CCC1 ZINC000093191475 1125766057 /nfs/dbraw/zinc/76/60/57/1125766057.db2.gz FTGDKZTXCDYLCY-UHFFFAOYSA-N 0 1 252.361 3.559 20 0 CHADMN CCc1nc2c(s1)[C@H](N(C)Cc1ccco1)CCC2 ZINC000093767832 1125772514 /nfs/dbraw/zinc/77/25/14/1125772514.db2.gz SWFZEHPKBZHEAY-CYBMUJFWSA-N 0 1 276.405 3.808 20 0 CHADMN CCc1nc2c(s1)[C@@H](N(C)Cc1ccco1)CCC2 ZINC000093767833 1125772749 /nfs/dbraw/zinc/77/27/49/1125772749.db2.gz SWFZEHPKBZHEAY-ZDUSSCGKSA-N 0 1 276.405 3.808 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccc(CO)o2)o1 ZINC000093870755 1125773927 /nfs/dbraw/zinc/77/39/27/1125773927.db2.gz DVZSCNVMQHRFRS-BLLLJJGKSA-N 0 1 289.375 3.647 20 0 CHADMN CCO[C@H]1C[C@@H](N(C)Cc2cccc(O)c2Cl)C1(C)C ZINC000508711442 1125780114 /nfs/dbraw/zinc/78/01/14/1125780114.db2.gz ZAAQMCFXBCNUIY-KGLIPLIRSA-N 0 1 297.826 3.681 20 0 CHADMN CCO[C@@H]1C[C@H](N(C)Cc2cccc(O)c2Cl)C1(C)C ZINC000508711444 1125780388 /nfs/dbraw/zinc/78/03/88/1125780388.db2.gz ZAAQMCFXBCNUIY-UONOGXRCSA-N 0 1 297.826 3.681 20 0 CHADMN C[C@H](c1ccco1)N(C)CCC(=O)c1ccc(F)cc1 ZINC000121947406 1125780575 /nfs/dbraw/zinc/78/05/75/1125780575.db2.gz FDAWGARPDZIENL-GFCCVEGCSA-N 0 1 275.323 3.685 20 0 CHADMN CC(C)C[C@H](C)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000622322499 1129248030 /nfs/dbraw/zinc/24/80/30/1129248030.db2.gz SCBZFXLFEDIAKK-VIFPVBQESA-N 0 1 289.297 3.575 20 0 CHADMN CC[C@H]1CCCN(Cc2ncc(C(C)C)o2)CC1 ZINC000735311475 1129340282 /nfs/dbraw/zinc/34/02/82/1129340282.db2.gz QQNRQWWBUFNMCD-ZDUSSCGKSA-N 0 1 250.386 3.810 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN(C)C[C@H]1CCCCO1 ZINC001238701740 1131234423 /nfs/dbraw/zinc/23/44/23/1131234423.db2.gz GZTFHKLVALXEFZ-MRXNPFEDSA-N 0 1 295.398 3.614 20 0 CHADMN CC[C@H](C(=O)OCc1cc(C)sc1C)N(CC)CC ZINC000741032798 1129426726 /nfs/dbraw/zinc/42/67/26/1129426726.db2.gz NHRDBRADTHNVPD-CQSZACIVSA-N 0 1 283.437 3.529 20 0 CHADMN FC(F)(F)c1ccccc1CN1CC(C2CC2)C1 ZINC000643345824 1129439054 /nfs/dbraw/zinc/43/90/54/1129439054.db2.gz PASXDYCNVQAILA-UHFFFAOYSA-N 0 1 255.283 3.547 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](C)c2ccnc(Cl)c2)s1 ZINC000795840818 1129451285 /nfs/dbraw/zinc/45/12/85/1129451285.db2.gz PMHWVXMRFWTPFV-DTWKUNHWSA-N 0 1 281.812 3.912 20 0 CHADMN Cc1nccnc1CN(C(C)C)[C@H](C)c1ccsc1 ZINC000621731310 1129187647 /nfs/dbraw/zinc/18/76/47/1129187647.db2.gz JFEPYNKGHOKKOW-CYBMUJFWSA-N 0 1 275.421 3.818 20 0 CHADMN FC(F)[C@@H](CCc1ccccc1)NCC[C@H]1CC1(F)F ZINC000621734426 1129188619 /nfs/dbraw/zinc/18/86/19/1129188619.db2.gz MQNZNCOVJYIKTH-QWHCGFSZSA-N 0 1 289.316 3.888 20 0 CHADMN Nc1c(Cl)cc(Cl)cc1CN1CC[C@H]2CCC[C@@H]21 ZINC000385964395 1129189203 /nfs/dbraw/zinc/18/92/03/1129189203.db2.gz LCPQVNAIKPIYCM-RNCFNFMXSA-N 0 1 285.218 3.950 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000636008085 1129195930 /nfs/dbraw/zinc/19/59/30/1129195930.db2.gz DDZVTCMYHXMZEO-NSHDSACASA-N 0 1 274.339 3.711 20 0 CHADMN Clc1scc(CNC[C@@H]2CCC=CO2)c1Cl ZINC000381608178 1129842585 /nfs/dbraw/zinc/84/25/85/1129842585.db2.gz RBWKKIHXQBOBHD-VIFPVBQESA-N 0 1 278.204 3.837 20 0 CHADMN C[C@H]1CCCN(Cc2occc2Br)CC1 ZINC000769148921 1129891053 /nfs/dbraw/zinc/89/10/53/1129891053.db2.gz UVTHAUBHNGXHAL-JTQLQIEISA-N 0 1 272.186 3.664 20 0 CHADMN Cc1nc(CCN(Cc2ccccc2F)C2CC2)cs1 ZINC000163408137 1129201749 /nfs/dbraw/zinc/20/17/49/1129201749.db2.gz GUMFUIIOSBQNJD-UHFFFAOYSA-N 0 1 290.407 3.798 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1c(C)cccc1F ZINC000772452671 1130022015 /nfs/dbraw/zinc/02/20/15/1130022015.db2.gz KVGJPLZNISOXQM-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN COc1ccoc1CN1CCC(c2ccccc2)CC1 ZINC001237869896 1129206401 /nfs/dbraw/zinc/20/64/01/1129206401.db2.gz SEBUHOCVPBYFHH-UHFFFAOYSA-N 0 1 271.360 3.668 20 0 CHADMN Cc1coc(CN[C@@H]2CCSc3ccccc32)c1 ZINC000718146661 1129206430 /nfs/dbraw/zinc/20/64/30/1129206430.db2.gz UHTJQUULXXDEIK-CQSZACIVSA-N 0 1 259.374 3.915 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCCC2(C1)CCCCCC2 ZINC000903598354 1130183925 /nfs/dbraw/zinc/18/39/25/1130183925.db2.gz UXHNKQSWBCTFIK-LSDHHAIUSA-N 0 1 281.440 3.922 20 0 CHADMN CCCCCC[C@@](C)(CCC)C(=O)NCc1cnc[nH]1 ZINC000748323242 1130228694 /nfs/dbraw/zinc/22/86/94/1130228694.db2.gz WEIOOFOGOUKIRN-MRXNPFEDSA-N 0 1 279.428 3.803 20 0 CHADMN C[C@@H]1CCN(c2ccnc3cc(OC(F)(F)F)ccc32)C1 ZINC000899876034 1126706586 /nfs/dbraw/zinc/70/65/86/1126706586.db2.gz JEVNHAGJXAHPPO-SNVBAGLBSA-N 0 1 296.292 3.980 20 0 CHADMN Cc1ccc(NC(=O)[C@H]2CC[C@H]3CCCCN32)c(Cl)c1 ZINC000899919754 1126712263 /nfs/dbraw/zinc/71/22/63/1126712263.db2.gz DTZXGGPKVMYWEZ-IUODEOHRSA-N 0 1 292.810 3.604 20 0 CHADMN C[C@H](N[C@@H](C)c1ccncc1F)c1cccc(F)c1 ZINC000338007761 1126708562 /nfs/dbraw/zinc/70/85/62/1126708562.db2.gz BUUAYFFHFLBURR-QWRGUYRKSA-N 0 1 262.303 3.772 20 0 CHADMN CCN(Cc1nccs1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000135065297 1126709701 /nfs/dbraw/zinc/70/97/01/1126709701.db2.gz PRTRUKATSFOMRF-ZDUSSCGKSA-N 0 1 290.432 3.605 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@H](C)c2ccncc2F)s1 ZINC000338021623 1126711434 /nfs/dbraw/zinc/71/14/34/1126711434.db2.gz QVWBCILIRWFLPS-BDAKNGLRSA-N 0 1 279.384 3.706 20 0 CHADMN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1nccs1 ZINC000135089819 1126711806 /nfs/dbraw/zinc/71/18/06/1126711806.db2.gz UCBQDHVQLJGXAT-AAEUAGOBSA-N 0 1 276.380 3.660 20 0 CHADMN CSC[C@H]1CCCN1Cc1coc(-c2cccs2)n1 ZINC000135444348 1126718518 /nfs/dbraw/zinc/71/85/18/1126718518.db2.gz WVDBUQKMNKURHW-GFCCVEGCSA-N 0 1 294.445 3.731 20 0 CHADMN c1csc(-c2noc([C@@H]3NCC[C@@H]4CCCC[C@@H]34)n2)c1 ZINC000899994347 1126720829 /nfs/dbraw/zinc/72/08/29/1126720829.db2.gz ZSAYIHUVHMZICT-DMDPSCGWSA-N 0 1 289.404 3.639 20 0 CHADMN c1sc2ccccc2c1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000338208267 1126723554 /nfs/dbraw/zinc/72/35/54/1126723554.db2.gz UCNIZPLDGBLOAW-CABCVRRESA-N 0 1 273.401 3.655 20 0 CHADMN c1sc2ccccc2c1CN1CCO[C@H]2CCC[C@H]21 ZINC000338208267 1126723556 /nfs/dbraw/zinc/72/35/56/1126723556.db2.gz UCNIZPLDGBLOAW-CABCVRRESA-N 0 1 273.401 3.655 20 0 CHADMN Cc1ccc2c(C[N@H+]3CCC4(CCC4)C3)ccc(O)c2n1 ZINC000338272794 1126729298 /nfs/dbraw/zinc/72/92/98/1126729298.db2.gz VARSDDXCUSUZQJ-UHFFFAOYSA-N 0 1 282.387 3.625 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)CC(C)(C)C3CC3)n2)cc1 ZINC000556047525 1126729626 /nfs/dbraw/zinc/72/96/26/1126729626.db2.gz FSVPGMVEJRWPGL-UHFFFAOYSA-N 0 1 298.390 3.545 20 0 CHADMN Cc1nc(Cl)ccc1NC(=O)c1c(O)cccc1Cl ZINC000790253373 1130299809 /nfs/dbraw/zinc/29/98/09/1130299809.db2.gz ZDPLOYBGIDHQCA-UHFFFAOYSA-N 0 1 297.141 3.655 20 0 CHADMN C[C@H](NC1c2ccccc2-c2ccccc21)c1cnn(C)c1 ZINC000157862551 1126736101 /nfs/dbraw/zinc/73/61/01/1126736101.db2.gz GKZZJYHRNJEWRJ-ZDUSSCGKSA-N 0 1 289.382 3.841 20 0 CHADMN COc1c(Br)cccc1CN1CCC(C)(C)C1 ZINC000482002108 1126737291 /nfs/dbraw/zinc/73/72/91/1126737291.db2.gz ZENSUXQVVQYWRE-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN CC1=C(c2ccco2)CN(Cc2cnc3ccccn23)CC1 ZINC000338363681 1126737686 /nfs/dbraw/zinc/73/76/86/1126737686.db2.gz BEOQZPZZLNCYHA-UHFFFAOYSA-N 0 1 293.370 3.607 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccncc2F)c2ccccc2n1 ZINC000338358739 1126737701 /nfs/dbraw/zinc/73/77/01/1126737701.db2.gz SYHSGTFEPULEJJ-CYBMUJFWSA-N 0 1 295.361 3.928 20 0 CHADMN COc1c(Br)cccc1CN1CC[C@@H](C)[C@@H]1C ZINC000481993269 1126737817 /nfs/dbraw/zinc/73/78/17/1126737817.db2.gz NQYYIMQGCVDHIJ-MNOVXSKESA-N 0 1 298.224 3.688 20 0 CHADMN Cc1nc2ccc(NC(=O)C3CCCCCC3)cc2[nH]1 ZINC000338383605 1126739242 /nfs/dbraw/zinc/73/92/42/1126739242.db2.gz GAWZROKODXEYMM-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN CCS[C@H]1CCC[C@@H]1NCc1nc2ccccc2o1 ZINC000348483788 1126740028 /nfs/dbraw/zinc/74/00/28/1126740028.db2.gz ZZSGNCGUFWLOGK-JSGCOSHPSA-N 0 1 276.405 3.592 20 0 CHADMN CCS[C@@H]1CCC[C@H]1NCc1nc2ccccc2o1 ZINC000348483790 1126740239 /nfs/dbraw/zinc/74/02/39/1126740239.db2.gz ZZSGNCGUFWLOGK-TZMCWYRMSA-N 0 1 276.405 3.592 20 0 CHADMN Cc1cnc([C@H](C)NCCO[C@H]2CCCC[C@H]2C)s1 ZINC000348498359 1126742036 /nfs/dbraw/zinc/74/20/36/1126742036.db2.gz TUFJWGPETPSHKN-XBFCOCLRSA-N 0 1 282.453 3.697 20 0 CHADMN COc1ccc(Cl)cc1[C@H](C)NCc1cccnc1 ZINC000151100234 1126750374 /nfs/dbraw/zinc/75/03/74/1126750374.db2.gz CWEWKKZKZMPMDO-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN Cc1cccc([C@H](C)Nc2cnn(-c3ccncc3)c2)c1 ZINC000679127382 1126753005 /nfs/dbraw/zinc/75/30/05/1126753005.db2.gz MHPPUHNRQWPNOA-AWEZNQCLSA-N 0 1 278.359 3.749 20 0 CHADMN CCOCc1ccc(CN[C@H](C)c2ccc(C)o2)cc1 ZINC000151646680 1126756038 /nfs/dbraw/zinc/75/60/38/1126756038.db2.gz DAXMXKRVHWKBRW-CQSZACIVSA-N 0 1 273.376 3.975 20 0 CHADMN CCc1ccc(CN2CCCc3sccc3C2)o1 ZINC000678259145 1130380319 /nfs/dbraw/zinc/38/03/19/1130380319.db2.gz CZKRQXBLRWYWEO-UHFFFAOYSA-N 0 1 261.390 3.852 20 0 CHADMN C[C@@H]1CC[C@H](N(C)Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000429565344 1126760701 /nfs/dbraw/zinc/76/07/01/1126760701.db2.gz RZDKBNUYYBCOCL-DYVFJYSZSA-N 0 1 287.382 3.632 20 0 CHADMN CCOC(C)(C)CNCc1nc(-c2ccccc2)cs1 ZINC000159224063 1126764244 /nfs/dbraw/zinc/76/42/44/1126764244.db2.gz WCWIMOQBPFSFTJ-UHFFFAOYSA-N 0 1 290.432 3.715 20 0 CHADMN C[C@H](N[C@@H]1CCC1(C)C)c1nnc(-c2cccs2)o1 ZINC000653746486 1126764481 /nfs/dbraw/zinc/76/44/81/1126764481.db2.gz WELAZGGCYXVNEA-GXSJLCMTSA-N 0 1 277.393 3.637 20 0 CHADMN Cc1cccc2[nH]c(CN(C)[C@H](CO)c3ccccc3)cc21 ZINC000668210901 1126769591 /nfs/dbraw/zinc/76/95/91/1126769591.db2.gz PLYAJXWXZMFYEF-LJQANCHMSA-N 0 1 294.398 3.642 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1CCC[C@@H]1C ZINC000174415875 1126769772 /nfs/dbraw/zinc/76/97/72/1126769772.db2.gz DJECRYNMXLERRN-JTQLQIEISA-N 0 1 262.378 3.696 20 0 CHADMN Fc1cccc(Br)c1CN1CCC[C@H]1C1CC1 ZINC000678517211 1130424876 /nfs/dbraw/zinc/42/48/76/1130424876.db2.gz OLDQQTUHMNUAHD-AWEZNQCLSA-N 0 1 298.199 3.963 20 0 CHADMN CC[C@@H](NCc1ccc(F)nc1C)c1ccccc1OC ZINC000785418611 1126767681 /nfs/dbraw/zinc/76/76/81/1126767681.db2.gz YVCBPBWEHKOERN-OAHLLOKOSA-N 0 1 288.366 3.779 20 0 CHADMN CC(C)[C@@H]1CN(Cc2nccn2C(C)C)[C@H]1C(C)C ZINC000668220605 1126772903 /nfs/dbraw/zinc/77/29/03/1126772903.db2.gz WSCOUYDTEYSWGV-HOCLYGCPSA-N 0 1 263.429 3.576 20 0 CHADMN Cc1ccc(C)c(NC(=O)Nc2cc(O)c(F)c(F)c2)c1 ZINC001202768234 1126774546 /nfs/dbraw/zinc/77/45/46/1126774546.db2.gz RDIUIOABXISLHF-UHFFFAOYSA-N 0 1 292.285 3.931 20 0 CHADMN Cc1ccc2c(c1)CN(CCc1ccc(F)c(F)c1)C2 ZINC000483304166 1126779646 /nfs/dbraw/zinc/77/96/46/1126779646.db2.gz APMKYXQIQYIPEB-UHFFFAOYSA-N 0 1 273.326 3.832 20 0 CHADMN Cc1ccccc1-c1nc(CNC2C[C@H](C)C[C@@H](C)C2)no1 ZINC000483314196 1126780399 /nfs/dbraw/zinc/78/03/99/1126780399.db2.gz XRHWDSZTVUPDOU-CHWSQXEVSA-N 0 1 299.418 3.959 20 0 CHADMN Oc1cccc([C@H]2C[N@@H+](CCC3CCCCC3)CCO2)c1 ZINC000483264590 1126776150 /nfs/dbraw/zinc/77/61/50/1126776150.db2.gz FVOPIBPBRDXJPC-GOSISDBHSA-N 0 1 289.419 3.736 20 0 CHADMN Oc1cccc([C@H]2CN(CCC3CCCCC3)CCO2)c1 ZINC000483264590 1126776154 /nfs/dbraw/zinc/77/61/54/1126776154.db2.gz FVOPIBPBRDXJPC-GOSISDBHSA-N 0 1 289.419 3.736 20 0 CHADMN Cc1cc(F)ccc1[C@@H]1CCCN1Cc1cnc2n1CCC2 ZINC000668226750 1126777671 /nfs/dbraw/zinc/77/76/71/1126777671.db2.gz SBDZTFMBEGXSBE-KRWDZBQOSA-N 0 1 299.393 3.614 20 0 CHADMN CN(c1nc(CN2CCC[C@H]2C(C)(C)C)cs1)C1CC1 ZINC000483381927 1126784462 /nfs/dbraw/zinc/78/44/62/1126784462.db2.gz HZHKOVILAYSJBT-AWEZNQCLSA-N 0 1 293.480 3.752 20 0 CHADMN CN(c1nc(CN2CCC[C@@H]2C(C)(C)C)cs1)C1CC1 ZINC000483381928 1126784705 /nfs/dbraw/zinc/78/47/05/1126784705.db2.gz HZHKOVILAYSJBT-CQSZACIVSA-N 0 1 293.480 3.752 20 0 CHADMN CC[C@@H]1CN(Cc2cc3ccncc3s2)C[C@H](CC)O1 ZINC000668243658 1126785446 /nfs/dbraw/zinc/78/54/46/1126785446.db2.gz GJFXKGOBIVTNRM-OKILXGFUSA-N 0 1 290.432 3.686 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1ccon1 ZINC000175429623 1126782525 /nfs/dbraw/zinc/78/25/25/1126782525.db2.gz UTGWNFYJTQAKFU-NWDGAFQWSA-N 0 1 278.783 3.952 20 0 CHADMN CC(C)[C@H]1N(Cc2cc3n(n2)CCC3)CC12CCCCC2 ZINC000668236541 1126782852 /nfs/dbraw/zinc/78/28/52/1126782852.db2.gz NNYFJPMFVVYIPR-QGZVFWFLSA-N 0 1 287.451 3.620 20 0 CHADMN Cc1[nH]ccc1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000175982234 1126787848 /nfs/dbraw/zinc/78/78/48/1126787848.db2.gz RIYOZLNJSOJCOF-UHFFFAOYSA-N 0 1 294.358 3.719 20 0 CHADMN c1c2ccccc2n2c1CN(CCC[C@@H]1CCOC1)CCC2 ZINC000645916503 1126788956 /nfs/dbraw/zinc/78/89/56/1126788956.db2.gz WFEPNSOWHAINEZ-MRXNPFEDSA-N 0 1 298.430 3.664 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1ccc(-n2ccnc2)nc1 ZINC000177032246 1126796219 /nfs/dbraw/zinc/79/62/19/1126796219.db2.gz KPCCMACAEDJGJI-CYBMUJFWSA-N 0 1 298.415 3.522 20 0 CHADMN CN(CCOc1ccc(Cl)c(F)c1)CCC(F)(F)F ZINC000483595525 1126793997 /nfs/dbraw/zinc/79/39/97/1126793997.db2.gz SIWGTAWGTOEMCD-UHFFFAOYSA-N 0 1 299.695 3.742 20 0 CHADMN CCN(Cc1cncn1C)[C@@H](C)c1cc2ccccc2o1 ZINC000177021525 1126796265 /nfs/dbraw/zinc/79/62/65/1126796265.db2.gz AMQPLFVTMGNJFU-ZDUSSCGKSA-N 0 1 283.375 3.749 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1ccc(Br)cn1 ZINC000163219580 1126800942 /nfs/dbraw/zinc/80/09/42/1126800942.db2.gz JDEQPYCWRQZJLH-GWCFXTLKSA-N 0 1 283.213 3.607 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1ccc(Br)cn1 ZINC000163219689 1126801067 /nfs/dbraw/zinc/80/10/67/1126801067.db2.gz JDEQPYCWRQZJLH-ZWNOBZJWSA-N 0 1 283.213 3.607 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1nccn1C(F)F ZINC000177540235 1126802596 /nfs/dbraw/zinc/80/25/96/1126802596.db2.gz PIRKEHWICRCUDH-OCCSQVGLSA-N 0 1 291.345 3.656 20 0 CHADMN COc1ccc(Cl)c(CN2CC[C@H](OCC(C)C)C2)c1 ZINC000483950958 1126806623 /nfs/dbraw/zinc/80/66/23/1126806623.db2.gz TWNCVOWLNQRJME-HNNXBMFYSA-N 0 1 297.826 3.596 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1Cc1csc(-c2ccoc2)n1 ZINC000177902754 1126807165 /nfs/dbraw/zinc/80/71/65/1126807165.db2.gz HHNIOVWYUXMXEZ-WDEREUQCSA-N 0 1 262.378 3.633 20 0 CHADMN C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccco1 ZINC000177939052 1126807691 /nfs/dbraw/zinc/80/76/91/1126807691.db2.gz HCMAKPYOYRQECK-XIKOKIGWSA-N 0 1 299.370 3.853 20 0 CHADMN C[C@@H](N[C@@H]1CCOc2c(Cl)cccc21)c1cccnc1 ZINC000178314053 1126811654 /nfs/dbraw/zinc/81/16/54/1126811654.db2.gz JDXTZMXDKGSFMW-IAQYHMDHSA-N 0 1 288.778 3.909 20 0 CHADMN CCc1noc(CC)c1CN[C@@H](C)c1sc(C)nc1C ZINC000178401102 1126813087 /nfs/dbraw/zinc/81/30/87/1126813087.db2.gz TWNNTICUVCZXLM-VIFPVBQESA-N 0 1 293.436 3.724 20 0 CHADMN CSc1cc(C)ccc1CN[C@H](C)c1cn(C)nc1C ZINC000178442524 1126813785 /nfs/dbraw/zinc/81/37/85/1126813785.db2.gz URRTXZXMPMJSPK-GFCCVEGCSA-N 0 1 289.448 3.610 20 0 CHADMN FC(F)(F)Oc1ccc2c(c1)[C@@H](NCc1ccoc1)CC2 ZINC000178477005 1126814275 /nfs/dbraw/zinc/81/42/75/1126814275.db2.gz HKGMHFHVKIAAFH-AWEZNQCLSA-N 0 1 297.276 3.955 20 0 CHADMN Cc1noc(C)c1CN[C@H]1CC(C)(C)c2ccccc21 ZINC000178630599 1126817521 /nfs/dbraw/zinc/81/75/21/1126817521.db2.gz XIJDJKQYILLRCX-INIZCTEOSA-N 0 1 270.376 3.804 20 0 CHADMN COc1cccc(CN[C@H](C)c2cc(C)cc(C)c2)n1 ZINC000178753634 1126819168 /nfs/dbraw/zinc/81/91/68/1126819168.db2.gz IPXXWOZTJIUMAB-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN COc1cccc(CN[C@H]2CCc3c2cccc3Cl)n1 ZINC000178754548 1126819254 /nfs/dbraw/zinc/81/92/54/1126819254.db2.gz OFBOMINGOJYABO-HNNXBMFYSA-N 0 1 288.778 3.521 20 0 CHADMN CC(C)CCC[C@@H]([NH2+]Cc1ncc(C(C)C)s1)C(=O)[O-] ZINC000904036673 1126822651 /nfs/dbraw/zinc/82/26/51/1126822651.db2.gz PRZGHTNAKKMOLV-GFCCVEGCSA-N 0 1 298.452 3.636 20 0 CHADMN Cc1nc(C2(NCC3CCC(C)CC3)CCCCC2)no1 ZINC000484553398 1126827925 /nfs/dbraw/zinc/82/79/25/1126827925.db2.gz RMNUQTDLHGHNHN-UHFFFAOYSA-N 0 1 291.439 3.953 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(-c2ccc(Cl)s2)no1 ZINC000904110221 1126829194 /nfs/dbraw/zinc/82/91/94/1126829194.db2.gz OSNLBIGPGVIJLZ-QMMMGPOBSA-N 0 1 285.800 3.758 20 0 CHADMN C[C@@H]1c2cccn2CCN1Cc1cccc2[nH]ccc21 ZINC000179569269 1126829552 /nfs/dbraw/zinc/82/95/52/1126829552.db2.gz BFGUFVDEYWKAMO-CYBMUJFWSA-N 0 1 265.360 3.546 20 0 CHADMN CN[C@@H](CC(C)C)c1nc(C2(c3cccc(C)c3)CC2)no1 ZINC000904121573 1126830891 /nfs/dbraw/zinc/83/08/91/1126830891.db2.gz SPWLPJYXBFWMFO-HNNXBMFYSA-N 0 1 299.418 3.765 20 0 CHADMN CCN(Cc1cccc2nccn21)[C@H](C)c1cccc(O)c1 ZINC000179770777 1126834103 /nfs/dbraw/zinc/83/41/03/1126834103.db2.gz XIDMICGLNJPCQJ-CQSZACIVSA-N 0 1 295.386 3.623 20 0 CHADMN CC(C)[C@H](NCCCc1ccccc1)c1nc(C2CC2)no1 ZINC000179808027 1126834924 /nfs/dbraw/zinc/83/49/24/1126834924.db2.gz KRWIPSMNRGGIDA-INIZCTEOSA-N 0 1 299.418 3.867 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)c1ccncc1)C1(Cl)CC1 ZINC000924796511 1126837987 /nfs/dbraw/zinc/83/79/87/1126837987.db2.gz DEKTWTZLMRYMNT-XJKSGUPXSA-N 0 1 286.806 3.921 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)c1ccncc1)C1(Cl)CC1 ZINC000924796510 1126838198 /nfs/dbraw/zinc/83/81/98/1126838198.db2.gz DEKTWTZLMRYMNT-CZUORRHYSA-N 0 1 286.806 3.921 20 0 CHADMN C[C@H](c1ccc(Cl)cc1Cl)N(C)Cc1cnc[nH]1 ZINC000180053941 1126838839 /nfs/dbraw/zinc/83/88/39/1126838839.db2.gz PBVLARIKAWQRJC-SECBINFHSA-N 0 1 284.190 3.910 20 0 CHADMN CC(C)(C)c1n[nH]c(SCCCc2cccc(F)c2)n1 ZINC000484689291 1126839985 /nfs/dbraw/zinc/83/99/85/1126839985.db2.gz LPQIEOUWJUFENF-UHFFFAOYSA-N 0 1 293.411 3.966 20 0 CHADMN CC(C)(C)c1nc(SCCCc2cccc(F)c2)n[nH]1 ZINC000484689291 1126839987 /nfs/dbraw/zinc/83/99/87/1126839987.db2.gz LPQIEOUWJUFENF-UHFFFAOYSA-N 0 1 293.411 3.966 20 0 CHADMN CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](C)C(F)(F)F ZINC000441148708 1130635596 /nfs/dbraw/zinc/63/55/96/1130635596.db2.gz OOVSPNFYEHPJFS-LLVKDONJSA-N 0 1 275.314 3.716 20 0 CHADMN Cc1cc(C(F)(F)F)nn1C[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000811770940 1130642016 /nfs/dbraw/zinc/64/20/16/1130642016.db2.gz IBIHYKDNITUEHZ-LLVKDONJSA-N 0 1 289.345 3.678 20 0 CHADMN COC[C@H](N[C@@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000180845244 1126849244 /nfs/dbraw/zinc/84/92/44/1126849244.db2.gz CSJCUTDRIAAFEC-MSOLQXFVSA-N 0 1 285.362 3.790 20 0 CHADMN COCCN(Cc1ncc(C(C)(C)C)o1)[C@@H]1CC[C@H](C)C1 ZINC000484874617 1126852875 /nfs/dbraw/zinc/85/28/75/1126852875.db2.gz AKRXJQRSXFTXJE-UONOGXRCSA-N 0 1 294.439 3.609 20 0 CHADMN CC(C)Cc1noc(CN[C@@H](C)[C@H](C)c2ccccc2)n1 ZINC000181523388 1126857059 /nfs/dbraw/zinc/85/70/59/1126857059.db2.gz CULFAEMNFIMIBN-KBPBESRZSA-N 0 1 287.407 3.550 20 0 CHADMN CC[C@H](NCc1cccc(Cl)n1)c1ccc(OC)cc1 ZINC000181815364 1126862053 /nfs/dbraw/zinc/86/20/53/1126862053.db2.gz DZJDSQNFMPOCPM-HNNXBMFYSA-N 0 1 290.794 3.985 20 0 CHADMN CC(C)Cn1cc(CNC(C)(C)c2cccc(F)c2)cn1 ZINC000181794613 1126861533 /nfs/dbraw/zinc/86/15/33/1126861533.db2.gz XQJIAQMOZODNQI-UHFFFAOYSA-N 0 1 289.398 3.703 20 0 CHADMN C[C@H](NCc1cc(F)cc2c1OCOC2)c1ccccc1 ZINC000182038300 1126864448 /nfs/dbraw/zinc/86/44/48/1126864448.db2.gz UFRFAKURYCDTRB-LBPRGKRZSA-N 0 1 287.334 3.543 20 0 CHADMN Cc1cccc([C@@H](C)NCc2ccc(Cl)cn2)c1 ZINC000182117780 1126866105 /nfs/dbraw/zinc/86/61/05/1126866105.db2.gz VJXULWZZQFUTNO-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1nc(C)c([C@H](C)NCc2ccc(Cl)cn2)s1 ZINC000182125994 1126866782 /nfs/dbraw/zinc/86/67/82/1126866782.db2.gz PRDFQYGSOHFWPY-QMMMGPOBSA-N 0 1 281.812 3.659 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NC1(c2cccc(Cl)c2)CC1 ZINC000182257203 1126868812 /nfs/dbraw/zinc/86/88/12/1126868812.db2.gz QDLKSMNPCPXDTA-NSHDSACASA-N 0 1 289.810 3.722 20 0 CHADMN COCCNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000484990725 1126870454 /nfs/dbraw/zinc/87/04/54/1126870454.db2.gz WOMRWCCSSDGOSI-UHFFFAOYSA-N 0 1 293.716 3.584 20 0 CHADMN Cc1cc(C[N@H+](C)[C@@H](C)CCc2cccc(F)c2)no1 ZINC000183092839 1126882233 /nfs/dbraw/zinc/88/22/33/1126882233.db2.gz VSWDWZFLQIIURG-LBPRGKRZSA-N 0 1 276.355 3.575 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)CCc2cccc(F)c2)no1 ZINC000183092839 1126882236 /nfs/dbraw/zinc/88/22/36/1126882236.db2.gz VSWDWZFLQIIURG-LBPRGKRZSA-N 0 1 276.355 3.575 20 0 CHADMN Cn1ccnc1[C@@H](N[C@H]1CCCc2ccccc21)C1CC1 ZINC000183232428 1126883618 /nfs/dbraw/zinc/88/36/18/1126883618.db2.gz RSHRVIMCFPYPOG-IRXDYDNUSA-N 0 1 281.403 3.538 20 0 CHADMN Cc1cc(N2N=C3CCCC[C@@H]3C2=O)ccc1Cl ZINC000905023450 1126888579 /nfs/dbraw/zinc/88/85/79/1126888579.db2.gz JQQBMPPAGJQRQY-NSHDSACASA-N 0 1 262.740 3.541 20 0 CHADMN Cc1cc(-n2[nH]c3c(c2=O)CCCC3)ccc1Cl ZINC000905023450 1126888585 /nfs/dbraw/zinc/88/85/85/1126888585.db2.gz JQQBMPPAGJQRQY-NSHDSACASA-N 0 1 262.740 3.541 20 0 CHADMN COc1ccccc1/C=C/CN(C)[C@H](C)c1ccccn1 ZINC000183673225 1126890153 /nfs/dbraw/zinc/89/01/53/1126890153.db2.gz URDQQKLLSHRXQI-TUPIDYKKSA-N 0 1 282.387 3.796 20 0 CHADMN C[C@H](c1ccncc1)N(C)CC1=Cc2ccccc2OC1 ZINC000183714039 1126890795 /nfs/dbraw/zinc/89/07/95/1126890795.db2.gz ZPOWTSYYWCRCAU-CQSZACIVSA-N 0 1 280.371 3.550 20 0 CHADMN COc1ccccc1/C=C/CN(C)[C@@H](C)c1cccnc1 ZINC000183717291 1126890952 /nfs/dbraw/zinc/89/09/52/1126890952.db2.gz CYTMEVSEKBZUSA-VSGCLNPGSA-N 0 1 282.387 3.796 20 0 CHADMN CCOc1cccc(CN(C)[C@H](C)c2ccncc2)c1 ZINC000183712124 1126891110 /nfs/dbraw/zinc/89/11/10/1126891110.db2.gz XMEWBPNUVXOANG-CQSZACIVSA-N 0 1 270.376 3.673 20 0 CHADMN CS[C@@H](C)CN[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183807805 1126891610 /nfs/dbraw/zinc/89/16/10/1126891610.db2.gz CVMQKXYHRSXEGL-BLLLJJGKSA-N 0 1 290.407 3.651 20 0 CHADMN C[C@@H](CN(C)Cc1cccc(F)c1F)c1nccs1 ZINC000183918397 1126893796 /nfs/dbraw/zinc/89/37/96/1126893796.db2.gz QPFVJRAATSNNAX-JTQLQIEISA-N 0 1 282.359 3.657 20 0 CHADMN CC(C)CSCCC[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000905369740 1126898685 /nfs/dbraw/zinc/89/86/85/1126898685.db2.gz NQBYLWCPWYSZDM-HNNXBMFYSA-N 0 1 295.448 3.523 20 0 CHADMN CCCC[C@@H](CC)C[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000905368821 1126898772 /nfs/dbraw/zinc/89/87/72/1126898772.db2.gz CFCCYABAWBAYOF-ZBFHGGJFSA-N 0 1 277.408 3.961 20 0 CHADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)CCCC(C)(C)C)c1 ZINC000905370029 1126898830 /nfs/dbraw/zinc/89/88/30/1126898830.db2.gz GNWKAFFYGYQNAC-HNNXBMFYSA-N 0 1 293.407 3.579 20 0 CHADMN Cc1cnc(Cl)c(CNc2ccc3c(n2)CCC3)c1 ZINC000905414155 1126900283 /nfs/dbraw/zinc/90/02/83/1126900283.db2.gz JXHRJGGXCOGQFO-UHFFFAOYSA-N 0 1 273.767 3.539 20 0 CHADMN Cc1cnc(Cl)c(CNc2cc3c(cn2)CCC3)c1 ZINC000905413651 1126900687 /nfs/dbraw/zinc/90/06/87/1126900687.db2.gz BCEGFVQDPCNNRT-UHFFFAOYSA-N 0 1 273.767 3.539 20 0 CHADMN CC(C)(NCc1cccnc1)c1cccc(Cl)c1F ZINC000185849739 1126904213 /nfs/dbraw/zinc/90/42/13/1126904213.db2.gz PTBMCQHXVQDMBM-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN Cn1cccc1CNC(C)(C)c1cccc(Cl)c1F ZINC000185847122 1126904257 /nfs/dbraw/zinc/90/42/57/1126904257.db2.gz HDBAPSHUBCMYGE-UHFFFAOYSA-N 0 1 280.774 3.843 20 0 CHADMN CN(Cc1cc(F)c(F)c(F)c1F)C[C@@H]1CC1(C)C ZINC001235351443 1130735590 /nfs/dbraw/zinc/73/55/90/1130735590.db2.gz PQVGZUPBGXJGLI-VIFPVBQESA-N 0 1 275.289 3.721 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNCc2ccc(C(C)(C)O)cc2)o1 ZINC000187501724 1126911447 /nfs/dbraw/zinc/91/14/47/1126911447.db2.gz YHFCIOAEXWHRQX-SUMWQHHRSA-N 0 1 299.414 3.920 20 0 CHADMN CCSc1cc(CN[C@@H](C)c2cncc(C)c2)ccn1 ZINC000187795679 1126914903 /nfs/dbraw/zinc/91/49/03/1126914903.db2.gz CXINUKFVPWLBHL-ZDUSSCGKSA-N 0 1 287.432 3.748 20 0 CHADMN CCC[C@H](NCc1cccc(N(C)C)n1)c1ccsc1 ZINC000187806657 1126915806 /nfs/dbraw/zinc/91/58/06/1126915806.db2.gz GHACTUKKIMXVAC-HNNXBMFYSA-N 0 1 289.448 3.840 20 0 CHADMN CN(C)c1cccc([C@@H]2CCCN2Cc2ccnc(F)c2)c1 ZINC001118814622 1131238679 /nfs/dbraw/zinc/23/86/79/1131238679.db2.gz COINGHVNNZFNHO-KRWDZBQOSA-N 0 1 299.393 3.624 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H]1CCc2cc(Cl)ccc21 ZINC000187885487 1126916398 /nfs/dbraw/zinc/91/63/98/1126916398.db2.gz RDIPCYGNCLTADR-ABAIWWIYSA-N 0 1 287.794 3.777 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1nccnc1C)CCC2 ZINC000188289023 1126921815 /nfs/dbraw/zinc/92/18/15/1126921815.db2.gz FZAIUTIJCATKCQ-YOEHRIQHSA-N 0 1 281.403 3.822 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1nccnc1C)CCC2 ZINC000188289072 1126922208 /nfs/dbraw/zinc/92/22/08/1126922208.db2.gz FZAIUTIJCATKCQ-PBHICJAKSA-N 0 1 281.403 3.822 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(C/C=C\Cl)[C@H]2C ZINC000782096884 1130754375 /nfs/dbraw/zinc/75/43/75/1130754375.db2.gz GWAUGHQFQXZRJT-OCWOOEOGSA-N 0 1 265.784 3.755 20 0 CHADMN Cc1cc(CN[C@@H](C)c2nccnc2C)ccc1Cl ZINC000188458753 1126923920 /nfs/dbraw/zinc/92/39/20/1126923920.db2.gz VSIYSTWYYPQCSL-LBPRGKRZSA-N 0 1 275.783 3.598 20 0 CHADMN COCC1(C2CCC2)CN(Cc2cccc(Cl)c2)C1 ZINC000668511872 1126923989 /nfs/dbraw/zinc/92/39/89/1126923989.db2.gz IKKWHCOOIUWUKL-UHFFFAOYSA-N 0 1 279.811 3.589 20 0 CHADMN CCc1nc[nH]c1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000905885578 1126920516 /nfs/dbraw/zinc/92/05/16/1126920516.db2.gz DVTQGOBVKYTFIO-UHFFFAOYSA-N 0 1 299.374 3.546 20 0 CHADMN COCC1(C2CCC2)CN(Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000668513636 1126926729 /nfs/dbraw/zinc/92/67/29/1126926729.db2.gz MAIMEAVXYFUNNI-CZUORRHYSA-N 0 1 289.419 3.652 20 0 CHADMN CC(C)c1cnc(CN2CC[C@]3(CC[C@H](C)C3)C2)o1 ZINC000782106702 1130755287 /nfs/dbraw/zinc/75/52/87/1130755287.db2.gz ILWGJEDNTQOEAH-BBRMVZONSA-N 0 1 262.397 3.810 20 0 CHADMN CNCc1ncc(-c2cccc(OC3CCCCC3)c2)cn1 ZINC000906160252 1126931470 /nfs/dbraw/zinc/93/14/70/1126931470.db2.gz XWTDVAOGABRDIJ-UHFFFAOYSA-N 0 1 297.402 3.575 20 0 CHADMN CSCc1cccc(-c2cnc([C@@H]3CCCCN3)nc2)c1 ZINC000906157680 1126931835 /nfs/dbraw/zinc/93/18/35/1126931835.db2.gz HEBRRXIAUCQFEG-INIZCTEOSA-N 0 1 299.443 3.821 20 0 CHADMN COc1ccc([C@@H](C)[N@@H+](C)Cc2cncc(C)c2)cc1 ZINC000189752395 1126933763 /nfs/dbraw/zinc/93/37/63/1126933763.db2.gz JQSCFPVMAKDOLY-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cncc(C)c2)cc1 ZINC000189752395 1126933766 /nfs/dbraw/zinc/93/37/66/1126933766.db2.gz JQSCFPVMAKDOLY-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN Cc1ncc(C[N@H+](C)Cc2ccc3nc(C)ccc3c2)s1 ZINC000189753563 1126934171 /nfs/dbraw/zinc/93/41/71/1126934171.db2.gz UBQLIDCJQFIKEI-UHFFFAOYSA-N 0 1 297.427 3.940 20 0 CHADMN Cc1ncc(CN(C)Cc2ccc3nc(C)ccc3c2)s1 ZINC000189753563 1126934173 /nfs/dbraw/zinc/93/41/73/1126934173.db2.gz UBQLIDCJQFIKEI-UHFFFAOYSA-N 0 1 297.427 3.940 20 0 CHADMN Cc1[nH]nc2ccc(-c3ccc([C@@H](O)C4CC4)cc3)cc12 ZINC000906203834 1126937589 /nfs/dbraw/zinc/93/75/89/1126937589.db2.gz DIPAXAXZHZRPRW-GOSISDBHSA-N 0 1 278.355 3.982 20 0 CHADMN Cc1ccc(-c2cnc([C@H]3CCCCN3)nc2)c(Cl)c1 ZINC000906208285 1126938326 /nfs/dbraw/zinc/93/83/26/1126938326.db2.gz PRTXBHFCXHQEIF-OAHLLOKOSA-N 0 1 287.794 3.920 20 0 CHADMN CCC(=O)CCN1CCC[C@H]1c1nc2ccccc2s1 ZINC000190178005 1126939787 /nfs/dbraw/zinc/93/97/87/1126939787.db2.gz ZGRDJMDWSHJBSY-AWEZNQCLSA-N 0 1 288.416 3.802 20 0 CHADMN CO[C@@H](C)C[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000782472304 1130779624 /nfs/dbraw/zinc/77/96/24/1130779624.db2.gz OBBQJEOGXNVHLK-SMDDNHRTSA-N 0 1 287.325 3.877 20 0 CHADMN Cc1c([C@H](C)N[C@H](C)c2cccnc2)cnn1C(C)(C)C ZINC000191125659 1126948138 /nfs/dbraw/zinc/94/81/38/1126948138.db2.gz YNSDHQWROVCFEM-OLZOCXBDSA-N 0 1 286.423 3.753 20 0 CHADMN Cc1c([C@@H](C)NCc2ccsc2)cnn1C(C)(C)C ZINC000191173676 1126948708 /nfs/dbraw/zinc/94/87/08/1126948708.db2.gz CBBUJAHZRHYSOA-LLVKDONJSA-N 0 1 277.437 3.859 20 0 CHADMN C[C@@H](NCc1ccc(CO)c(F)c1)c1csc(Cl)c1 ZINC000191204570 1126949243 /nfs/dbraw/zinc/94/92/43/1126949243.db2.gz IVRHVFJXRCQYQQ-SECBINFHSA-N 0 1 299.798 3.884 20 0 CHADMN CCc1noc([C@@H](C)N[C@@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000191359309 1126951125 /nfs/dbraw/zinc/95/11/25/1126951125.db2.gz QZSYOSXGMCGYFX-FVQBIDKESA-N 0 1 299.418 3.694 20 0 CHADMN Oc1cccc2c1CCC[C@H]2NCc1ccc(F)cc1F ZINC000191660873 1126954216 /nfs/dbraw/zinc/95/42/16/1126954216.db2.gz NUAFIYKPEMIDCP-MRXNPFEDSA-N 0 1 289.325 3.838 20 0 CHADMN O=C1CCCC12CCN([C@@H]1C[C@@H]1c1cccc(F)c1)CC2 ZINC000906590158 1126959080 /nfs/dbraw/zinc/95/90/80/1126959080.db2.gz NVMSKTMPUOSLCO-HZPDHXFCSA-N 0 1 287.378 3.517 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H]2C[C@@H]2c2cccc(F)c2)s1 ZINC000906588837 1126959091 /nfs/dbraw/zinc/95/90/91/1126959091.db2.gz UDPWEGSRWMBAAA-ZLKJLUDKSA-N 0 1 276.380 3.797 20 0 CHADMN C[C@H](CNCc1cocn1)c1c(Cl)cccc1Cl ZINC000192303972 1126960195 /nfs/dbraw/zinc/96/01/95/1126960195.db2.gz BSNXVZIARSPUIJ-SECBINFHSA-N 0 1 285.174 3.875 20 0 CHADMN Cc1cc(Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)[nH]n1 ZINC000485873988 1126960523 /nfs/dbraw/zinc/96/05/23/1126960523.db2.gz IIGNZBWDXGTKIN-UHFFFAOYSA-N 0 1 296.374 3.656 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c(O)cccc21)c1ccccn1 ZINC000192354637 1126960754 /nfs/dbraw/zinc/96/07/54/1126960754.db2.gz HPSIWIUJCPNWFM-BLLLJJGKSA-N 0 1 268.360 3.515 20 0 CHADMN CC(C)c1nnc(-c2ccccc2NC(=O)C[C@@H]2C[C@@H]2C)[nH]1 ZINC000485886818 1126961023 /nfs/dbraw/zinc/96/10/23/1126961023.db2.gz DNLNQZKMJJWGKM-RYUDHWBXSA-N 0 1 298.390 3.580 20 0 CHADMN Cc1cc(=O)[nH]c([C@@H](C)N[C@H](c2ccccc2)C2CCC2)n1 ZINC000192665640 1126963352 /nfs/dbraw/zinc/96/33/52/1126963352.db2.gz SHGOLDCFZVDTAE-CXAGYDPISA-N 0 1 297.402 3.683 20 0 CHADMN C[C@@H](O)c1ccc(CNCc2sccc2Cl)cc1 ZINC000193037619 1126965707 /nfs/dbraw/zinc/96/57/07/1126965707.db2.gz NZYYJJLBNJFZPS-SNVBAGLBSA-N 0 1 281.808 3.745 20 0 CHADMN C[C@H](N[C@@H]1CCSc2ccc(F)cc21)c1ccnnc1 ZINC000924810205 1126968695 /nfs/dbraw/zinc/96/86/95/1126968695.db2.gz OQMBUUINJAFHQK-IINYFYTJSA-N 0 1 289.379 3.503 20 0 CHADMN CCc1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000569293067 1126970728 /nfs/dbraw/zinc/97/07/28/1126970728.db2.gz NKADCWDHXVFCFE-SJORKVTESA-N 0 1 273.420 3.638 20 0 CHADMN CSc1cccc(-c2c(F)cc(F)c(O)c2F)n1 ZINC001235989053 1130823100 /nfs/dbraw/zinc/82/31/00/1130823100.db2.gz DNDGKPQFUKEQBV-UHFFFAOYSA-N 0 1 271.263 3.593 20 0 CHADMN Cc1nc(C)c(C(=O)N2CCC[C@@H](C)c3ccccc32)[nH]1 ZINC000907358636 1126976969 /nfs/dbraw/zinc/97/69/69/1126976969.db2.gz NZUJZYGOWRBZQX-LLVKDONJSA-N 0 1 283.375 3.571 20 0 CHADMN CCC(CC)(CC)CN[C@H](c1ncc[nH]1)c1cccnc1 ZINC000195076329 1126978586 /nfs/dbraw/zinc/97/85/86/1126978586.db2.gz LHRYVEZYJKGWKC-HNNXBMFYSA-N 0 1 286.423 3.700 20 0 CHADMN CCc1ccc2nc(NCc3cc(C)[nH]n3)sc2c1 ZINC001319873596 1126993012 /nfs/dbraw/zinc/99/30/12/1126993012.db2.gz QENONVVBBBZNKB-UHFFFAOYSA-N 0 1 272.377 3.502 20 0 CHADMN CSc1ccc(CN(C)[C@H](C)c2ccccn2)cc1 ZINC000267410630 1126999560 /nfs/dbraw/zinc/99/95/60/1126999560.db2.gz RQWWLZWHBTUKDQ-CYBMUJFWSA-N 0 1 272.417 3.997 20 0 CHADMN CCOc1cc(CN2CC[C@@H]3C[C@@H]3C2)cc(Cl)c1OC ZINC000668676170 1126999932 /nfs/dbraw/zinc/99/99/32/1126999932.db2.gz MPZVEUGHLCCHRP-CHWSQXEVSA-N 0 1 295.810 3.589 20 0 CHADMN Cl/C=C/CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000814666587 1130896927 /nfs/dbraw/zinc/89/69/27/1130896927.db2.gz IEVRSKGTEFXYGC-RDNKVPPGSA-N 0 1 256.176 3.882 20 0 CHADMN CCSCSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000814738989 1130905703 /nfs/dbraw/zinc/90/57/03/1130905703.db2.gz VZKOKKWNVGAPIM-SREVYHEPSA-N 0 1 281.406 3.679 20 0 CHADMN Fc1ccc([C@@H]2CC[N@@H+](CCC(F)(F)F)C2)cc1 ZINC000267989976 1127010133 /nfs/dbraw/zinc/01/01/33/1127010133.db2.gz AHVHUXCQPUAGQR-LLVKDONJSA-N 0 1 261.262 3.567 20 0 CHADMN C[C@H](NC/C=C/c1ccncc1)c1c(F)cccc1F ZINC000486943895 1127011297 /nfs/dbraw/zinc/01/12/97/1127011297.db2.gz YGGUHTBQOOEMSA-PCAWENJQSA-N 0 1 274.314 3.724 20 0 CHADMN Cc1nc(CN(C)[C@H](C)c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000268368706 1127016678 /nfs/dbraw/zinc/01/66/78/1127016678.db2.gz VQHCYNVVFPDGAG-MRVPVSSYSA-N 0 1 299.205 3.613 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cc(C)nc(C)n2)c(C)c1 ZINC000659851636 1127017125 /nfs/dbraw/zinc/01/71/25/1127017125.db2.gz JFJMBQBGXZESJX-OAHLLOKOSA-N 0 1 283.419 3.903 20 0 CHADMN CCc1nc(C)c([C@@H](C)NCc2ccc(C)nc2)s1 ZINC000268772238 1127023766 /nfs/dbraw/zinc/02/37/66/1127023766.db2.gz MHGLJIOCFAREQD-LLVKDONJSA-N 0 1 275.421 3.568 20 0 CHADMN COc1cccc(Cl)c1CNC/C=C\c1ccncc1 ZINC000487199056 1127023955 /nfs/dbraw/zinc/02/39/55/1127023955.db2.gz LROPWZWMDSTQLI-ARJAWSKDSA-N 0 1 288.778 3.547 20 0 CHADMN C[C@H](NCc1ccc(N(C)C)nc1)c1cc2ccccc2o1 ZINC000268745859 1127021584 /nfs/dbraw/zinc/02/15/84/1127021584.db2.gz FUEXAKQGEHDVBE-ZDUSSCGKSA-N 0 1 295.386 3.745 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cn3ccccc3n2)s1 ZINC000268747247 1127022848 /nfs/dbraw/zinc/02/28/48/1127022848.db2.gz VOEDLFMGKKVEIK-GFCCVEGCSA-N 0 1 285.416 3.809 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccccc2Cn2ccnc2)o1 ZINC000268788528 1127023384 /nfs/dbraw/zinc/02/33/84/1127023384.db2.gz WTMBRZBIVZNYCC-OAHLLOKOSA-N 0 1 295.386 3.684 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2CCSc3ccccc32)c(C)n1 ZINC000268828113 1127025197 /nfs/dbraw/zinc/02/51/97/1127025197.db2.gz QFUBHYLOVBZTFL-MLGOLLRUSA-N 0 1 299.443 3.981 20 0 CHADMN CCOc1ccccc1CN[C@@H](C)c1ccc2c(c1)COC2 ZINC000268826639 1127025498 /nfs/dbraw/zinc/02/54/98/1127025498.db2.gz JDIHJPBPDHGZEN-AWEZNQCLSA-N 0 1 297.398 3.966 20 0 CHADMN Cc1cc(C)c(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1C ZINC000268837648 1127025945 /nfs/dbraw/zinc/02/59/45/1127025945.db2.gz MHTCMTCHMDCFBU-MRXNPFEDSA-N 0 1 269.392 3.502 20 0 CHADMN Cc1cc(C)c(CN[C@@H]2CCCc3c[nH]nc32)cc1C ZINC000268837648 1127025946 /nfs/dbraw/zinc/02/59/46/1127025946.db2.gz MHTCMTCHMDCFBU-MRXNPFEDSA-N 0 1 269.392 3.502 20 0 CHADMN Cc1ccc2nc(CN[C@H]3c4ccccc4C[C@H]3C)cn2c1 ZINC000268843820 1127026254 /nfs/dbraw/zinc/02/62/54/1127026254.db2.gz FVSLFHRVXQFNCF-AUUYWEPGSA-N 0 1 291.398 3.666 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cn3cc(C)ccc3n2)c1 ZINC000268835331 1127026281 /nfs/dbraw/zinc/02/62/81/1127026281.db2.gz DICRXXIRWKETFP-OAHLLOKOSA-N 0 1 279.387 3.802 20 0 CHADMN CCn1cc([C@@H](C)NCc2cccc(OC(C)C)c2)cn1 ZINC000268861710 1127026574 /nfs/dbraw/zinc/02/65/74/1127026574.db2.gz MSOWTXFMDDVHHR-CQSZACIVSA-N 0 1 287.407 3.541 20 0 CHADMN C[C@H](NCc1cccc(N(C)C)c1)c1ccc(F)cc1F ZINC000268915763 1127027840 /nfs/dbraw/zinc/02/78/40/1127027840.db2.gz PDIJIUNZCQJPAP-LBPRGKRZSA-N 0 1 290.357 3.882 20 0 CHADMN Cc1ccn2cc(CN[C@H](C)c3cccc(C)c3)nc2c1 ZINC000268960434 1127029956 /nfs/dbraw/zinc/02/99/56/1127029956.db2.gz ZYPLMAPFXXHQMT-OAHLLOKOSA-N 0 1 279.387 3.802 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@H](C)c1cnn(CC)c1 ZINC000269064520 1127034278 /nfs/dbraw/zinc/03/42/78/1127034278.db2.gz YIYXGUVNYYZMBC-KGLIPLIRSA-N 0 1 287.407 3.714 20 0 CHADMN CCCCC[C@H](C)CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268976783 1127030945 /nfs/dbraw/zinc/03/09/45/1127030945.db2.gz MPRNWNJSLKDJTM-JSGCOSHPSA-N 0 1 277.412 3.510 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN(C)CC2=CCSC2)o1 ZINC000668775963 1127031729 /nfs/dbraw/zinc/03/17/29/1127031729.db2.gz VAEJESZEVCAYGG-BXUZGUMPSA-N 0 1 263.406 3.508 20 0 CHADMN Cc1csc([C@H](NC/C=C\c2ccncc2)C2CC2)n1 ZINC000487301187 1127031831 /nfs/dbraw/zinc/03/18/31/1127031831.db2.gz XLZUYIMNYPBICI-MPNWYJEXSA-N 0 1 285.416 3.601 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1ccnc(Br)c1 ZINC000815079466 1130956153 /nfs/dbraw/zinc/95/61/53/1130956153.db2.gz TTYOXPNZJUVHRZ-ZYHUDNBSSA-N 0 1 283.213 3.607 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H](C)Oc2ccc(F)cc2)cs1 ZINC000269396359 1127038764 /nfs/dbraw/zinc/03/87/64/1127038764.db2.gz DXMVIXHFDHBNPY-GHMZBOCLSA-N 0 1 294.395 3.709 20 0 CHADMN O=C(Nc1ccccc1Cl)[C@H]1CCCN1C1CCCC1 ZINC000269624972 1127043539 /nfs/dbraw/zinc/04/35/39/1127043539.db2.gz JKFTURVPYVYASL-OAHLLOKOSA-N 0 1 292.810 3.686 20 0 CHADMN CCCCCN(Cc1nnc2n1CCCC2)[C@H](C)CCC ZINC000487919050 1127046326 /nfs/dbraw/zinc/04/63/26/1127046326.db2.gz OWSVHTATNQZDMW-OAHLLOKOSA-N 0 1 292.471 3.795 20 0 CHADMN CC(=O)c1cc(CN(C)[C@H]2CCC[C@H]2C(C)(C)C)on1 ZINC000653766496 1127046780 /nfs/dbraw/zinc/04/67/80/1127046780.db2.gz FEBSHCLJDUWZDK-HIFRSBDPSA-N 0 1 278.396 3.524 20 0 CHADMN CC[C@@H]1CCCN1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000487925770 1127049246 /nfs/dbraw/zinc/04/92/46/1127049246.db2.gz BIDAQOHDJNATNQ-CQSZACIVSA-N 0 1 291.345 3.525 20 0 CHADMN Cc1cc(Cl)cc(C[N@@H+](C)CC2CC(F)(F)C2)n1 ZINC001236642351 1130987501 /nfs/dbraw/zinc/98/75/01/1130987501.db2.gz FGRNBWPLEZAVOQ-UHFFFAOYSA-N 0 1 274.742 3.521 20 0 CHADMN CC1=CCN(Cc2cncc(OCc3ccccc3)c2)CC1 ZINC000488120487 1127058449 /nfs/dbraw/zinc/05/84/49/1127058449.db2.gz WBGUQPHEMHEKHY-UHFFFAOYSA-N 0 1 294.398 3.813 20 0 CHADMN CC(C)CN(C(=O)c1ccc(O)c(Cl)c1)C(C)C ZINC000042592688 1127060122 /nfs/dbraw/zinc/06/01/22/1127060122.db2.gz ULDBHXNQLGRGAC-UHFFFAOYSA-N 0 1 269.772 3.552 20 0 CHADMN COc1ccc(Cl)cc1CN1CCSC[C@@H](C)C1 ZINC000488166970 1127060144 /nfs/dbraw/zinc/06/01/44/1127060144.db2.gz UYSQRGGUAGNAMA-NSHDSACASA-N 0 1 285.840 3.534 20 0 CHADMN CCC[N@@H+](CC)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000270689356 1127061049 /nfs/dbraw/zinc/06/10/49/1127061049.db2.gz FCOSLHGADDJOSE-JTQLQIEISA-N 0 1 293.436 3.807 20 0 CHADMN CCCN(CC)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000270689356 1127061050 /nfs/dbraw/zinc/06/10/50/1127061050.db2.gz FCOSLHGADDJOSE-JTQLQIEISA-N 0 1 293.436 3.807 20 0 CHADMN Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cnc2ccccc2c1 ZINC000271025145 1127065026 /nfs/dbraw/zinc/06/50/26/1127065026.db2.gz DSTLSQONEXFJMS-IBGZPJMESA-N 0 1 291.398 3.910 20 0 CHADMN Cc1ccccc1O[C@H](C)CN[C@@H](C)c1cscn1 ZINC000271066903 1127066836 /nfs/dbraw/zinc/06/68/36/1127066836.db2.gz DHTFWTAAEYKUIS-OLZOCXBDSA-N 0 1 276.405 3.570 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CC)Cc1cnc2cnccn12 ZINC000271111837 1127068719 /nfs/dbraw/zinc/06/87/19/1127068719.db2.gz URJFMFCGNNYUKD-QGZVFWFLSA-N 0 1 294.402 3.703 20 0 CHADMN Cc1ccc(OCCCN[C@@H](C)c2cscn2)cc1 ZINC000271125030 1127069778 /nfs/dbraw/zinc/06/97/78/1127069778.db2.gz KHQZTXJLQDHILV-ZDUSSCGKSA-N 0 1 276.405 3.571 20 0 CHADMN Cc1cccc(O[C@@H](C)CN[C@H](C)c2cscn2)c1 ZINC000271147296 1127069796 /nfs/dbraw/zinc/06/97/96/1127069796.db2.gz PQCORIVYIFVOQK-QWHCGFSZSA-N 0 1 276.405 3.570 20 0 CHADMN Cc1ccc(O[C@H](C)CN[C@H](C)c2cscn2)cc1 ZINC000271125051 1127069989 /nfs/dbraw/zinc/06/99/89/1127069989.db2.gz KIIJSHGVAGQEMY-CHWSQXEVSA-N 0 1 276.405 3.570 20 0 CHADMN Cn1cccc1[C@@H]1CCCN1Cc1cc2ccc(F)cc2[nH]1 ZINC000488293388 1127070126 /nfs/dbraw/zinc/07/01/26/1127070126.db2.gz FYSYWLPDRGNQFJ-SFHVURJKSA-N 0 1 297.377 3.983 20 0 CHADMN Fc1ccc2cc(CN3CCC[C@@H]3c3ccc[nH]3)[nH]c2c1 ZINC000488320290 1127071531 /nfs/dbraw/zinc/07/15/31/1127071531.db2.gz XYXBKABNJAKTEQ-QGZVFWFLSA-N 0 1 283.350 3.972 20 0 CHADMN C[C@H](NCCc1cc(Cl)ccc1Cl)c1ccon1 ZINC000488312789 1127072333 /nfs/dbraw/zinc/07/23/33/1127072333.db2.gz LPKJYOHMSZFAJB-VIFPVBQESA-N 0 1 285.174 3.875 20 0 CHADMN COc1ccccc1/C=C/CN1CCC(F)(F)[C@@H](C)C1 ZINC000570132837 1127074155 /nfs/dbraw/zinc/07/41/55/1127074155.db2.gz DTKNBBYRLFKMIK-IYNGYCSASA-N 0 1 281.346 3.686 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)CCCC(C)(C)C ZINC000271299831 1127075076 /nfs/dbraw/zinc/07/50/76/1127075076.db2.gz SCAUNLVCJHBKKB-UHFFFAOYSA-N 0 1 273.327 3.811 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(CC(C)C)cc2)ncn1 ZINC000271450116 1127082629 /nfs/dbraw/zinc/08/26/29/1127082629.db2.gz GBECJDAZYPWGCT-HNNXBMFYSA-N 0 1 283.419 3.834 20 0 CHADMN CCc1nc([C@H](C)N[C@H](CC)c2cccc(Cl)c2)n[nH]1 ZINC000271422095 1127079395 /nfs/dbraw/zinc/07/93/95/1127079395.db2.gz BZDADOCKYMRRAB-GXFFZTMASA-N 0 1 292.814 3.822 20 0 CHADMN Cc1nnc(CN2C[C@@H](c3ccccc3C)C[C@H]2C)s1 ZINC000271422623 1127079464 /nfs/dbraw/zinc/07/94/64/1127079464.db2.gz MLWQIOWVEBEUEK-OCCSQVGLSA-N 0 1 287.432 3.533 20 0 CHADMN CO[C@H](CN[C@H](C)c1cccc(C2CC2)c1)C(F)(F)F ZINC000815605299 1131011457 /nfs/dbraw/zinc/01/14/57/1131011457.db2.gz QGFVKKYYYGTZHZ-QMTHXVAHSA-N 0 1 287.325 3.792 20 0 CHADMN CC1(C)C[C@H](N[C@H]2CCCc3c[nH]nc32)c2ccccc21 ZINC000271449395 1127082450 /nfs/dbraw/zinc/08/24/50/1127082450.db2.gz DKHSNTRNKKGCQO-HOTGVXAUSA-N 0 1 281.403 3.799 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000271455804 1127082868 /nfs/dbraw/zinc/08/28/68/1127082868.db2.gz JGPKTRUIGDAWPK-IAGOWNOFSA-N 0 1 291.341 3.739 20 0 CHADMN Cc1cc([C@H](N[C@H](C)c2cnccn2)C2CC2)ccc1F ZINC000271502314 1127087645 /nfs/dbraw/zinc/08/76/45/1127087645.db2.gz MFSQZUBTUZWJFZ-SJKOYZFVSA-N 0 1 285.366 3.726 20 0 CHADMN CC[C@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000271457001 1127083913 /nfs/dbraw/zinc/08/39/13/1127083913.db2.gz JGPKTRUIGDAWPK-IRXDYDNUSA-N 0 1 291.341 3.739 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](CO)c2ccc(F)cc2)s1 ZINC000271464860 1127083963 /nfs/dbraw/zinc/08/39/63/1127083963.db2.gz KXCXDORMBCEJGU-XHDPSFHLSA-N 0 1 293.407 3.834 20 0 CHADMN Cc1ccc([C@H](C)NC[C@H](O)c2c(F)cccc2Cl)o1 ZINC000271489304 1127085685 /nfs/dbraw/zinc/08/56/85/1127085685.db2.gz LPUGEKLVMWZOAM-GWCFXTLKSA-N 0 1 297.757 3.765 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCCc3c[nH]nc32)c(C)s1 ZINC000271486732 1127085708 /nfs/dbraw/zinc/08/57/08/1127085708.db2.gz JTAJDNBTUKUEDO-HZMBPMFUSA-N 0 1 275.421 3.816 20 0 CHADMN CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@@H](C)c1nccs1 ZINC000271484782 1127085863 /nfs/dbraw/zinc/08/58/63/1127085863.db2.gz KBNWGSDQMLXAAC-MJVIPROJSA-N 0 1 294.395 3.709 20 0 CHADMN CC[C@H](N[C@H](c1ccccn1)c1ccccc1OC)C1CC1 ZINC000271492793 1127086978 /nfs/dbraw/zinc/08/69/78/1127086978.db2.gz LCJFIPQXBBIGMA-LPHOPBHVSA-N 0 1 296.414 3.958 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](CC)c2ccc(Cl)s2)n[nH]1 ZINC000271514214 1127089071 /nfs/dbraw/zinc/08/90/71/1127089071.db2.gz NOHFSIRJXBFAQW-RKDXNWHRSA-N 0 1 298.843 3.884 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)s1 ZINC000271534097 1127089417 /nfs/dbraw/zinc/08/94/17/1127089417.db2.gz PYUPWCXOEDYKKB-WDEREUQCSA-N 0 1 278.425 3.710 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)ncn1 ZINC000271549217 1127090813 /nfs/dbraw/zinc/09/08/13/1127090813.db2.gz RWNPVGZKAMCXCR-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN Cc1ccc(OC(F)F)c([C@@H](C)N[C@H](C)c2cn[nH]c2)c1 ZINC000271549223 1127091132 /nfs/dbraw/zinc/09/11/32/1127091132.db2.gz RWVPFNAMOIZTJM-GHMZBOCLSA-N 0 1 295.333 3.731 20 0 CHADMN CC(C)Oc1ccc([C@H](C)N[C@H]2CCCc3c[nH]nc32)cc1 ZINC000271562993 1127092036 /nfs/dbraw/zinc/09/20/36/1127092036.db2.gz XGGDNMMHNYUTAJ-GUYCJALGSA-N 0 1 299.418 3.925 20 0 CHADMN CC[C@H](N[C@H](C)c1ccco1)[C@@H](O)c1c(F)cccc1F ZINC000271569265 1127092962 /nfs/dbraw/zinc/09/29/62/1127092962.db2.gz YWCXPCUIEIJJMG-AKWBHNSASA-N 0 1 295.329 3.721 20 0 CHADMN COc1ccccc1C1(NCc2ccc(F)cc2C)CC1 ZINC000646001122 1127094605 /nfs/dbraw/zinc/09/46/05/1127094605.db2.gz AZAMHPODEFVJOM-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN COc1ccc2nc(C[N@@H+](C)[C@@H]3CC3(C)C)sc2c1 ZINC000489501582 1127105248 /nfs/dbraw/zinc/10/52/48/1127105248.db2.gz WYBIIZOVMQRXSO-CYBMUJFWSA-N 0 1 276.405 3.535 20 0 CHADMN COc1ccc2nc(CN(C)[C@@H]3CC3(C)C)sc2c1 ZINC000489501582 1127105249 /nfs/dbraw/zinc/10/52/49/1127105249.db2.gz WYBIIZOVMQRXSO-CYBMUJFWSA-N 0 1 276.405 3.535 20 0 CHADMN Cc1oc([C@H](C)[N@H+]2CC3(CCC3)C[C@H]2C)cc1C(=O)[O-] ZINC000570639115 1127115879 /nfs/dbraw/zinc/11/58/79/1127115879.db2.gz SQIZGKPNBHHTPB-MNOVXSKESA-N 0 1 277.364 3.612 20 0 CHADMN CCCCC[C@H](NCc1cnccn1)c1ccccc1 ZINC000698143611 1127115917 /nfs/dbraw/zinc/11/59/17/1127115917.db2.gz CUZDHSNYZQFEHT-KRWDZBQOSA-N 0 1 269.392 3.888 20 0 CHADMN COCC[C@H](N[C@@H](C)c1cncc(C)c1)c1ccc(C)o1 ZINC000274390731 1127117068 /nfs/dbraw/zinc/11/70/68/1127117068.db2.gz OGTZBGZRCLGQFB-HOCLYGCPSA-N 0 1 288.391 3.720 20 0 CHADMN Fc1cccc(CN2CCC[C@@H]2[C@H]2CCCO2)c1Cl ZINC000339165594 1127117428 /nfs/dbraw/zinc/11/74/28/1127117428.db2.gz CIXVGFZCHYBQOZ-ZIAGYGMSSA-N 0 1 283.774 3.623 20 0 CHADMN Cc1ccc2ccccc2c1CN[C@@H](CCO)c1ccco1 ZINC000274407190 1127117909 /nfs/dbraw/zinc/11/79/09/1127117909.db2.gz LDNJMCDRQWLJHD-SFHVURJKSA-N 0 1 295.382 3.955 20 0 CHADMN COCc1ccc([C@H]2CCCN2[C@@H](C)c2cccnc2)o1 ZINC000274461207 1127120245 /nfs/dbraw/zinc/12/02/45/1127120245.db2.gz MNZWCJLZZGYTTA-XJKSGUPXSA-N 0 1 286.375 3.719 20 0 CHADMN Fc1ccc2nc(-c3cnccc3C(F)(F)F)[nH]c2c1 ZINC000717871971 1127121715 /nfs/dbraw/zinc/12/17/15/1127121715.db2.gz HPLNMLXBSCFLHC-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN CCc1ccc(CN2CCC=C(c3ccco3)C2)cn1 ZINC000348632829 1127121908 /nfs/dbraw/zinc/12/19/08/1127121908.db2.gz INSKPKLAXHTQQZ-UHFFFAOYSA-N 0 1 268.360 3.526 20 0 CHADMN CO[C@@H](CN(C)Cc1cccnc1)c1ccc(Cl)cc1 ZINC000283150637 1127123534 /nfs/dbraw/zinc/12/35/34/1127123534.db2.gz OLZNSJVUQSJSOX-INIZCTEOSA-N 0 1 290.794 3.555 20 0 CHADMN Clc1ccsc1CSc1nc(C2CC2)n[nH]1 ZINC000283214482 1127126751 /nfs/dbraw/zinc/12/67/51/1127126751.db2.gz ZKHNPNQWKZZFQE-UHFFFAOYSA-N 0 1 271.798 3.689 20 0 CHADMN Clc1ccsc1CSc1n[nH]c(C2CC2)n1 ZINC000283214482 1127126754 /nfs/dbraw/zinc/12/67/54/1127126754.db2.gz ZKHNPNQWKZZFQE-UHFFFAOYSA-N 0 1 271.798 3.689 20 0 CHADMN COc1cc([C@H](C)N[C@H](C)c2cc(F)cc(F)c2)ccn1 ZINC000348675439 1127124064 /nfs/dbraw/zinc/12/40/64/1127124064.db2.gz BHLUXFXCGILLKJ-WDEREUQCSA-N 0 1 292.329 3.780 20 0 CHADMN CCCCCC[N@@H+](C)CC(=O)Nc1cscc1C ZINC000151179009 1127124914 /nfs/dbraw/zinc/12/49/14/1127124914.db2.gz BXMANZFPCADLSO-UHFFFAOYSA-N 0 1 268.426 3.507 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1cscc1C ZINC000151179009 1127124915 /nfs/dbraw/zinc/12/49/15/1127124915.db2.gz BXMANZFPCADLSO-UHFFFAOYSA-N 0 1 268.426 3.507 20 0 CHADMN c1nc(C2CCC2)sc1CN1CC(C2CCC2)C1 ZINC000348702140 1127125189 /nfs/dbraw/zinc/12/51/89/1127125189.db2.gz DUQHYPCZBVDCPX-UHFFFAOYSA-N 0 1 262.422 3.643 20 0 CHADMN Cc1noc([C@@H]2CCCN2CCCC2CCCCC2)n1 ZINC000348817822 1127129574 /nfs/dbraw/zinc/12/95/74/1127129574.db2.gz QAUIVUIUYQAHDE-HNNXBMFYSA-N 0 1 277.412 3.875 20 0 CHADMN O=C(c1ccc2cncn2c1)N(CC1CC1)C1CCCCC1 ZINC000283302643 1127130767 /nfs/dbraw/zinc/13/07/67/1127130767.db2.gz DETUCABRSDIDFJ-UHFFFAOYSA-N 0 1 297.402 3.519 20 0 CHADMN C[C@@H]1C[C@@H]1CN1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000348889698 1127133738 /nfs/dbraw/zinc/13/37/38/1127133738.db2.gz CPFVEQJRTULNNT-MRVWCRGKSA-N 0 1 275.396 3.520 20 0 CHADMN CCN(C/C=C\c1ccccc1)CCC(F)(F)F ZINC000586768377 1127139606 /nfs/dbraw/zinc/13/96/06/1127139606.db2.gz XXGMGPPXYHJIBT-TWGQIWQCSA-N 0 1 257.299 3.974 20 0 CHADMN CCOC(=O)[C@@H]1CC[C@H](NCc2ccco2)c2ccccc21 ZINC000283496073 1127139792 /nfs/dbraw/zinc/13/97/92/1127139792.db2.gz YKBYTIWKSQVSAH-SJORKVTESA-N 0 1 299.370 3.551 20 0 CHADMN C[C@@]1(CCCO)CCCN1Cc1cc(Cl)ccc1F ZINC000349178040 1127141736 /nfs/dbraw/zinc/14/17/36/1127141736.db2.gz BGNWKASDERTBBS-HNNXBMFYSA-N 0 1 285.790 3.606 20 0 CHADMN COc1cccc(CN2CCC[C@@H](CF)C2)c1Cl ZINC001237189763 1131067705 /nfs/dbraw/zinc/06/77/05/1131067705.db2.gz UNAQRPLARKYKGY-NSHDSACASA-N 0 1 271.763 3.530 20 0 CHADMN CCC1(C)CCN(C(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC000283605544 1127145944 /nfs/dbraw/zinc/14/59/44/1127145944.db2.gz YWUZZYNFELAORU-UHFFFAOYSA-N 0 1 285.391 3.524 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](CO)c2ccsc2)s1 ZINC000349308887 1127146098 /nfs/dbraw/zinc/14/60/98/1127146098.db2.gz BPPGSJPACCWORQ-ZYHUDNBSSA-N 0 1 267.419 3.502 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1ccsc1)c1ccccc1OC ZINC000349344289 1127148383 /nfs/dbraw/zinc/14/83/83/1127148383.db2.gz RVMKTIXIUPUNBK-CABCVRRESA-N 0 1 291.416 3.531 20 0 CHADMN COc1cccc(CN(C)Cc2sccc2C)c1OC ZINC000349520753 1127152807 /nfs/dbraw/zinc/15/28/07/1127152807.db2.gz IKMUYUGQVIHHTN-UHFFFAOYSA-N 0 1 291.416 3.706 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@@H](c3ccccc3C)C2)s1 ZINC000283711471 1127153422 /nfs/dbraw/zinc/15/34/22/1127153422.db2.gz ZMAUIOBEEQTNRP-TZMCWYRMSA-N 0 1 287.432 3.705 20 0 CHADMN CCOc1cccc(CN(C)[C@H](C)c2ccccc2)n1 ZINC000349543924 1127153519 /nfs/dbraw/zinc/15/35/19/1127153519.db2.gz JQCUPQMCFZZMNM-CQSZACIVSA-N 0 1 270.376 3.673 20 0 CHADMN Clc1cnc(CNCCC2Cc3ccccc3C2)s1 ZINC000349626536 1127154990 /nfs/dbraw/zinc/15/49/90/1127154990.db2.gz AFQDDRUEQRZSEN-UHFFFAOYSA-N 0 1 292.835 3.691 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@@H]2c2cccn2C)c1 ZINC000349578565 1127154622 /nfs/dbraw/zinc/15/46/22/1127154622.db2.gz QOXBDBKUISSBBZ-QGZVFWFLSA-N 0 1 272.367 3.810 20 0 CHADMN CC[C@H](NCc1ccc2[nH]c(C)c(C)c2c1)c1ccn(C)n1 ZINC000349456976 1127151014 /nfs/dbraw/zinc/15/10/14/1127151014.db2.gz SDLQSKJTKDCBOR-INIZCTEOSA-N 0 1 296.418 3.759 20 0 CHADMN Cc1nc(SCc2cnc(C)nc2)[nH]c1-c1ccccc1 ZINC000349820898 1127162997 /nfs/dbraw/zinc/16/29/97/1127162997.db2.gz YVEVVPLNNXKAGP-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN C[N@H+](Cc1ccc(-c2ccccc2F)o1)C[C@@H]1CCCO1 ZINC000349834506 1127163782 /nfs/dbraw/zinc/16/37/82/1127163782.db2.gz YLUFSBDXBVZYOV-ZDUSSCGKSA-N 0 1 289.350 3.697 20 0 CHADMN CCn1ccnc1CN1CC2(CCCCC2)[C@H]1C(C)C ZINC000571739295 1127166649 /nfs/dbraw/zinc/16/66/49/1127166649.db2.gz UBKUGANUAGSFLN-MRXNPFEDSA-N 0 1 275.440 3.694 20 0 CHADMN Cc1c[nH]nc1CN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000284008675 1127169118 /nfs/dbraw/zinc/16/91/18/1127169118.db2.gz LCNHPEVQOXASBH-SNVBAGLBSA-N 0 1 283.297 3.588 20 0 CHADMN Cc1nc(CN(C)C[C@H]2C[C@@H]2c2ccccc2)cs1 ZINC000349992878 1127169981 /nfs/dbraw/zinc/16/99/81/1127169981.db2.gz VEGSRZAKHGOYEC-GDBMZVCRSA-N 0 1 272.417 3.687 20 0 CHADMN COCC1(NCc2csc(-c3cccs3)n2)CCC1 ZINC000284084952 1127172851 /nfs/dbraw/zinc/17/28/51/1127172851.db2.gz RGWLJPSJNMFICB-UHFFFAOYSA-N 0 1 294.445 3.530 20 0 CHADMN Cc1cc([C@@H](C)NCC(C)(C)c2cccc(F)c2)no1 ZINC000284091060 1127173141 /nfs/dbraw/zinc/17/31/41/1127173141.db2.gz MHRKQLVGACPIDO-GFCCVEGCSA-N 0 1 276.355 3.751 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)n(C)n1 ZINC000284113981 1127174053 /nfs/dbraw/zinc/17/40/53/1127174053.db2.gz CFNWDKZFLGHSSG-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCCC[C@@H]2C(C)C)[nH]1 ZINC000284094480 1127174193 /nfs/dbraw/zinc/17/41/93/1127174193.db2.gz SVBLWYNHKKYDCO-OAHLLOKOSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1nccc(N[C@H](C)c2nc3ccccc3[nH]2)c1Cl ZINC000350285718 1127176442 /nfs/dbraw/zinc/17/64/42/1127176442.db2.gz HPUAPCWGLXBLKD-SNVBAGLBSA-N 0 1 286.766 3.515 20 0 CHADMN CSc1ccc(CNc2ccnc(C)c2Cl)cc1 ZINC000350285343 1127176022 /nfs/dbraw/zinc/17/60/22/1127176022.db2.gz FMKCSLWIBLRAPP-UHFFFAOYSA-N 0 1 278.808 3.799 20 0 CHADMN CCC(CC)[N@@H+](C)Cc1cc(Cl)nc(Cl)c1[O-] ZINC001237538047 1131111840 /nfs/dbraw/zinc/11/18/40/1131111840.db2.gz LYVSJFNSRFQKLE-UHFFFAOYSA-N 0 1 277.195 3.714 20 0 CHADMN Cc1cc(CN[C@H](C)c2oc3ccccc3c2C)n(C)n1 ZINC000284225233 1127178119 /nfs/dbraw/zinc/17/81/19/1127178119.db2.gz HKCYSRDVBBJDJC-CYBMUJFWSA-N 0 1 283.375 3.634 20 0 CHADMN CCCC[N@@H+](CC)Cc1cc(Cl)nc(Cl)c1[O-] ZINC001237526245 1131111391 /nfs/dbraw/zinc/11/13/91/1131111391.db2.gz SUFVZSLQKGEWKR-UHFFFAOYSA-N 0 1 277.195 3.716 20 0 CHADMN FC(F)O[C@H]1CCN(Cc2ccc(-c3ccccc3)o2)C1 ZINC000571942258 1127183056 /nfs/dbraw/zinc/18/30/56/1127183056.db2.gz DVYMQKVRSKJEOE-AWEZNQCLSA-N 0 1 293.313 3.760 20 0 CHADMN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1nccs1 ZINC000351205941 1127186048 /nfs/dbraw/zinc/18/60/48/1127186048.db2.gz SOEBPCAOHXTCAS-HZMBPMFUSA-N 0 1 296.823 3.662 20 0 CHADMN CCCCN(Cc1nccc(N)n1)[C@H](CC)c1ccccc1 ZINC000351520688 1127191694 /nfs/dbraw/zinc/19/16/94/1127191694.db2.gz SDGYQNQMAKIODA-MRXNPFEDSA-N 0 1 298.434 3.643 20 0 CHADMN CCc1ccc(CNc2nccn2Cc2ccccc2)o1 ZINC000351549932 1127193277 /nfs/dbraw/zinc/19/32/77/1127193277.db2.gz GQJNCBFNHNDNHH-UHFFFAOYSA-N 0 1 281.359 3.699 20 0 CHADMN CC(C)Cn1ccnc1NCc1cc(F)c(F)cc1F ZINC000351551073 1127193660 /nfs/dbraw/zinc/19/36/60/1127193660.db2.gz RONJJFHSIVKBOV-UHFFFAOYSA-N 0 1 283.297 3.569 20 0 CHADMN Cc1ccc(-c2noc(CN3C[C@H](C)C[C@H](C)C3)n2)cc1 ZINC000588771124 1127193947 /nfs/dbraw/zinc/19/39/47/1127193947.db2.gz ANYBLBXHLLDKJK-OKILXGFUSA-N 0 1 285.391 3.523 20 0 CHADMN CC(C)Cn1ccnc1NCc1sccc1Cl ZINC000351567059 1127194415 /nfs/dbraw/zinc/19/44/15/1127194415.db2.gz GTQNGDGNKMMFNR-UHFFFAOYSA-N 0 1 269.801 3.866 20 0 CHADMN CN(Cc1cn2ccccc2n1)[C@H]1CCCc2ccccc21 ZINC000588780082 1127194653 /nfs/dbraw/zinc/19/46/53/1127194653.db2.gz WJDYAVHYZKUEJJ-SFHVURJKSA-N 0 1 291.398 3.844 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@@H+](CCC)CC1CCCCC1 ZINC000572250193 1127195892 /nfs/dbraw/zinc/19/58/92/1127195892.db2.gz JIZXISANETXLFS-AWEZNQCLSA-N 0 1 255.402 3.532 20 0 CHADMN C[C@]1(CO)CCCN1Cc1nc(C2CCCCC2)cs1 ZINC000572229081 1127196689 /nfs/dbraw/zinc/19/66/89/1127196689.db2.gz VTBCLARELQCEQB-MRXNPFEDSA-N 0 1 294.464 3.538 20 0 CHADMN Cc1ccccc1[C@H]1CN(CC2(C)CCC2)CCO1 ZINC000572318161 1127197595 /nfs/dbraw/zinc/19/75/95/1127197595.db2.gz HBONBJNTUAILTO-MRXNPFEDSA-N 0 1 259.393 3.559 20 0 CHADMN C[C@H]1SCCN(Cc2cccc(OC(C)(C)C)n2)[C@H]1C ZINC000351685536 1127203685 /nfs/dbraw/zinc/20/36/85/1127203685.db2.gz NHNHLXCIXSLIRL-QWHCGFSZSA-N 0 1 294.464 3.585 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccoc1 ZINC000156920078 1127198329 /nfs/dbraw/zinc/19/83/29/1127198329.db2.gz CKEJALNKBCCNFM-ZIAGYGMSSA-N 0 1 298.386 3.818 20 0 CHADMN CC(C)[N@H+](Cc1cccc([O-])c1Cl)C1CCC1 ZINC000351646244 1127201187 /nfs/dbraw/zinc/20/11/87/1127201187.db2.gz ZWDSFFUUBJWTPG-UHFFFAOYSA-N 0 1 253.773 3.809 20 0 CHADMN CC(C)[N@@H+](Cc1cccc([O-])c1Cl)C1CCC1 ZINC000351646244 1127201190 /nfs/dbraw/zinc/20/11/90/1127201190.db2.gz ZWDSFFUUBJWTPG-UHFFFAOYSA-N 0 1 253.773 3.809 20 0 CHADMN Clc1ccc(CN2CCC[C@H]2[C@H]2CCCO2)s1 ZINC000284732669 1127202045 /nfs/dbraw/zinc/20/20/45/1127202045.db2.gz KLHZTHSGADUGAL-NWDGAFQWSA-N 0 1 271.813 3.545 20 0 CHADMN CCc1nc(CN(CC)CCc2cccs2)cs1 ZINC000351658635 1127202247 /nfs/dbraw/zinc/20/22/47/1127202247.db2.gz JTIDESUZKKJHOH-UHFFFAOYSA-N 0 1 280.462 3.832 20 0 CHADMN Cc1cccc(NC(=O)[C@@H](C)N2CCC(C)(C)CC2)c1C ZINC000588905062 1127203998 /nfs/dbraw/zinc/20/39/98/1127203998.db2.gz WDJCJWFEORZRAJ-OAHLLOKOSA-N 0 1 288.435 3.752 20 0 CHADMN CC1(C)CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000588904242 1127204483 /nfs/dbraw/zinc/20/44/83/1127204483.db2.gz ZCZIVXRKVBLSAK-UHFFFAOYSA-N 0 1 270.376 3.964 20 0 CHADMN C[C@H](F)CCN1CCc2c(Br)cccc2C1 ZINC000351852574 1127211731 /nfs/dbraw/zinc/21/17/31/1127211731.db2.gz CBOPKXCBPLDITB-JTQLQIEISA-N 0 1 286.188 3.555 20 0 CHADMN CC(C)CCOc1ccccc1CN[C@@H](C)c1cn[nH]c1 ZINC000285197649 1127219194 /nfs/dbraw/zinc/21/91/94/1127219194.db2.gz NYRLZNDMFGPEEM-AWEZNQCLSA-N 0 1 287.407 3.685 20 0 CHADMN COc1cccc(CN2CCC[C@H](C)C2)c1Br ZINC001237862428 1131146151 /nfs/dbraw/zinc/14/61/51/1131146151.db2.gz JXBPEKZIFGOKIB-NSHDSACASA-N 0 1 298.224 3.690 20 0 CHADMN Oc1cccnc1C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000572682661 1127224297 /nfs/dbraw/zinc/22/42/97/1127224297.db2.gz PRROFPGIYRWFMB-KRWDZBQOSA-N 0 1 282.387 3.905 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000572682661 1127224300 /nfs/dbraw/zinc/22/43/00/1127224300.db2.gz PRROFPGIYRWFMB-KRWDZBQOSA-N 0 1 282.387 3.905 20 0 CHADMN [O-]c1cccnc1C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000572682661 1127224302 /nfs/dbraw/zinc/22/43/02/1127224302.db2.gz PRROFPGIYRWFMB-KRWDZBQOSA-N 0 1 282.387 3.905 20 0 CHADMN CC/C=C\CCN1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000466807487 1127225178 /nfs/dbraw/zinc/22/51/78/1127225178.db2.gz SJEFKSGPBDPEMI-PFOQBSPMSA-N 0 1 259.393 3.805 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000352397968 1127228242 /nfs/dbraw/zinc/22/82/42/1127228242.db2.gz NCXQRRVHZCMDPG-IAQYHMDHSA-N 0 1 293.773 3.684 20 0 CHADMN CCc1cccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000352390818 1127228467 /nfs/dbraw/zinc/22/84/67/1127228467.db2.gz GSVRYLAVRUXYJS-MRXNPFEDSA-N 0 1 289.810 3.546 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(CC(C)C)cc2)[nH]n1 ZINC000589635889 1127230787 /nfs/dbraw/zinc/23/07/87/1127230787.db2.gz UFJRUUSSEBZFOA-AWEZNQCLSA-N 0 1 271.408 3.767 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)[nH]n1 ZINC000589636506 1127231144 /nfs/dbraw/zinc/23/11/44/1127231144.db2.gz SCOUMIAWTAFURP-VIFPVBQESA-N 0 1 284.190 3.876 20 0 CHADMN Fc1ccc(CNCc2n[nH]c3ccccc23)cc1Cl ZINC000589650024 1127232842 /nfs/dbraw/zinc/23/28/42/1127232842.db2.gz RVCXSWPEUKICOI-UHFFFAOYSA-N 0 1 289.741 3.645 20 0 CHADMN Fc1ccc(CNCc2[nH]nc3ccccc32)cc1Cl ZINC000589650024 1127232846 /nfs/dbraw/zinc/23/28/46/1127232846.db2.gz RVCXSWPEUKICOI-UHFFFAOYSA-N 0 1 289.741 3.645 20 0 CHADMN C/C(=C/c1ccccc1)CNc1cnn(-c2ccncc2)c1 ZINC000589650381 1127232921 /nfs/dbraw/zinc/23/29/21/1127232921.db2.gz NLHPGLSIXBDRNX-PTNGSMBKSA-N 0 1 290.370 3.783 20 0 CHADMN COc1ccc2cc([C@@H](C)NCc3cc(C)n[nH]3)ccc2c1 ZINC000589646849 1127233404 /nfs/dbraw/zinc/23/34/04/1127233404.db2.gz CWAHODPRYRZOMH-CYBMUJFWSA-N 0 1 295.386 3.731 20 0 CHADMN Clc1cccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000352448805 1127233669 /nfs/dbraw/zinc/23/36/69/1127233669.db2.gz VMQRFHNVPSERKK-JKSUJKDBSA-N 0 1 291.822 3.874 20 0 CHADMN Cc1ccnc([C@H](C)N[C@@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000285533395 1127235828 /nfs/dbraw/zinc/23/58/28/1127235828.db2.gz BUSPZMZWIBESGB-SNRMKQJTSA-N 0 1 296.414 3.961 20 0 CHADMN Cc1occc1-c1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3N2)n1 ZINC000165566639 1127236381 /nfs/dbraw/zinc/23/63/81/1127236381.db2.gz HYUDBNKLWFXHOV-UBHSHLNASA-N 0 1 287.363 3.621 20 0 CHADMN CCOc1cccc(CNC(C)(C)c2c(C)noc2C)c1 ZINC000285588625 1127238206 /nfs/dbraw/zinc/23/82/06/1127238206.db2.gz VUYXQDJISPYHTA-UHFFFAOYSA-N 0 1 288.391 3.715 20 0 CHADMN CS[C@H](C[NH2+]Cc1cccc([O-])c1Cl)C(C)(C)C ZINC000590188594 1127250873 /nfs/dbraw/zinc/25/08/73/1127250873.db2.gz ZROZDGQLIICFJF-GFCCVEGCSA-N 0 1 287.856 3.913 20 0 CHADMN Clc1ccc2c(ccn2CCNCc2cscn2)c1 ZINC000352923758 1127251096 /nfs/dbraw/zinc/25/10/96/1127251096.db2.gz WVEUHADZWOYDLH-UHFFFAOYSA-N 0 1 291.807 3.541 20 0 CHADMN CCc1nocc1CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000352935579 1127252684 /nfs/dbraw/zinc/25/26/84/1127252684.db2.gz QCCWRJIFWDUDEF-LLVKDONJSA-N 0 1 292.329 3.505 20 0 CHADMN CCCN(Cc1conc1C)[C@@H]1CCCc2cccnc21 ZINC000352948234 1127252856 /nfs/dbraw/zinc/25/28/56/1127252856.db2.gz RTIMYYSILIIUQY-MRXNPFEDSA-N 0 1 285.391 3.668 20 0 CHADMN COc1ccc(C(=O)CCN(C)[C@@H](C)c2ccco2)cc1 ZINC000286034490 1127255385 /nfs/dbraw/zinc/25/53/85/1127255385.db2.gz QCIKJFUKGOJXIA-ZDUSSCGKSA-N 0 1 287.359 3.554 20 0 CHADMN CCC[C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC000590592202 1127264574 /nfs/dbraw/zinc/26/45/74/1127264574.db2.gz QKAYXCKDWSLBJM-UKRRQHHQSA-N 0 1 299.418 3.581 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@H](CCCO)c2ccccc2)c1 ZINC000286234832 1127263518 /nfs/dbraw/zinc/26/35/18/1127263518.db2.gz SYRFODQEXLVQAD-NVXWUHKLSA-N 0 1 284.403 3.554 20 0 CHADMN COC(=O)c1ccoc1CN1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000353223441 1127265181 /nfs/dbraw/zinc/26/51/81/1127265181.db2.gz AQSXWGCSYGLLFY-CZUORRHYSA-N 0 1 299.370 3.649 20 0 CHADMN CC(C)[C@@H](NCc1ccsc1)c1ccc(F)cn1 ZINC000353550525 1127269539 /nfs/dbraw/zinc/26/95/39/1127269539.db2.gz HNQODTSMPIWMSL-CQSZACIVSA-N 0 1 264.369 3.769 20 0 CHADMN C[N@@H+](CCc1cccs1)Cc1cc(Cl)c([O-])cc1F ZINC001238151948 1131175943 /nfs/dbraw/zinc/17/59/43/1131175943.db2.gz KDKCYKFGFXFQOC-UHFFFAOYSA-N 0 1 299.798 3.921 20 0 CHADMN CC[C@H](N[C@H](C)c1cc(OC)ccn1)c1ccccc1 ZINC000924859061 1127273995 /nfs/dbraw/zinc/27/39/95/1127273995.db2.gz SSDMVOBKBKZBFU-CJNGLKHVSA-N 0 1 270.376 3.892 20 0 CHADMN C[C@H]1CCN(Cc2cc(Cl)c(O)cc2F)CC1(F)F ZINC001238147362 1131174776 /nfs/dbraw/zinc/17/47/76/1131174776.db2.gz VHRBPSHTDGQFFT-QMMMGPOBSA-N 0 1 293.716 3.662 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](CN(C)C)c2ccc(F)cc2)o1 ZINC000286912783 1127275875 /nfs/dbraw/zinc/27/58/75/1127275875.db2.gz FCLXCLJWQJRRMZ-CJNGLKHVSA-N 0 1 290.382 3.681 20 0 CHADMN CC[C@@H](C)CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000286961483 1127277045 /nfs/dbraw/zinc/27/70/45/1127277045.db2.gz QLXHAEIHKYOILM-SSDOTTSWSA-N 0 1 259.708 3.559 20 0 CHADMN Cc1c(Cl)ccc(CN2CC[C@@H]3CCO[C@H]3C2)c1C ZINC001238212390 1131182073 /nfs/dbraw/zinc/18/20/73/1131182073.db2.gz RVZUKNNXNSGUFP-CJNGLKHVSA-N 0 1 279.811 3.568 20 0 CHADMN CC[C@@H](N[C@H](c1nccn1C)C1CC1)c1cccc(OC)c1 ZINC000353931031 1127279747 /nfs/dbraw/zinc/27/97/47/1127279747.db2.gz SWJAIMPSZIOZPT-SJORKVTESA-N 0 1 299.418 3.621 20 0 CHADMN CCn1ccnc1CN1CCCC2(C1)CCCCCC2 ZINC000353980998 1127283521 /nfs/dbraw/zinc/28/35/21/1127283521.db2.gz VOPDXOIQOHTYJH-UHFFFAOYSA-N 0 1 275.440 3.839 20 0 CHADMN Cc1ccc(CN2CC[C@H](C)C[C@H]2c2ccco2)nc1 ZINC000354012333 1127284791 /nfs/dbraw/zinc/28/47/91/1127284791.db2.gz YUJAIMLRASNLRK-BBRMVZONSA-N 0 1 270.376 3.956 20 0 CHADMN CCC[C@@H](C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000287076743 1127286602 /nfs/dbraw/zinc/28/66/02/1127286602.db2.gz VRXCGJIQUFDHDN-SSDOTTSWSA-N 0 1 259.708 3.559 20 0 CHADMN CCc1ccc(CN(C)Cc2cccc(N(C)C)c2)o1 ZINC000354026551 1127286705 /nfs/dbraw/zinc/28/67/05/1127286705.db2.gz VNPXYPZQPWGOAG-UHFFFAOYSA-N 0 1 272.392 3.540 20 0 CHADMN CN(Cc1ccc[nH]1)Cc1ccc(F)c(Br)c1 ZINC000354035562 1127287007 /nfs/dbraw/zinc/28/70/07/1127287007.db2.gz ZJFLTFWTSNVTCL-UHFFFAOYSA-N 0 1 297.171 3.548 20 0 CHADMN COCc1ccc(CN2C[C@@H](C)[C@@H]2c2ccccc2)o1 ZINC000354045192 1127288216 /nfs/dbraw/zinc/28/82/16/1127288216.db2.gz RJUYZYVKLGGYGO-CXAGYDPISA-N 0 1 271.360 3.619 20 0 CHADMN CCC[C@@H](C)CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000287121505 1127289971 /nfs/dbraw/zinc/28/99/71/1127289971.db2.gz YVJZFMKYRVXBRJ-MRVPVSSYSA-N 0 1 273.735 3.950 20 0 CHADMN Fc1ccnc(Cl)c1CN1CCC[C@H]2CCC[C@H]21 ZINC001238230227 1131185762 /nfs/dbraw/zinc/18/57/62/1131185762.db2.gz LTXCSHPUQZJJLU-ZWNOBZJWSA-N 0 1 268.763 3.639 20 0 CHADMN CC[C@@H](c1ccccc1)N1CCN(Cc2ccco2)CC1 ZINC000354105590 1127293287 /nfs/dbraw/zinc/29/32/87/1127293287.db2.gz CGYXCLQVESIWMS-SFHVURJKSA-N 0 1 284.403 3.549 20 0 CHADMN CC[C@@]1(C)CCN(Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354077850 1127290980 /nfs/dbraw/zinc/29/09/80/1127290980.db2.gz JKAFZRHRMGPRRK-ZFWWWQNUSA-N 0 1 280.437 3.617 20 0 CHADMN CC(C)(C)[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000591238834 1127291457 /nfs/dbraw/zinc/29/14/57/1127291457.db2.gz XXYHXIWTXTYYIE-INIZCTEOSA-N 0 1 297.402 3.727 20 0 CHADMN CC(C)(C)CCCCC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000287195394 1127295962 /nfs/dbraw/zinc/29/59/62/1127295962.db2.gz HJWJUGSEMLPFSR-CYBMUJFWSA-N 0 1 277.412 3.510 20 0 CHADMN C[C@@]1(CCc2ccccc2)CCN(Cc2nccs2)C1 ZINC000354097087 1127292672 /nfs/dbraw/zinc/29/26/72/1127292672.db2.gz NBIKUQCLQTUMRG-QGZVFWFLSA-N 0 1 286.444 3.988 20 0 CHADMN Cc1c2cc(F)ccc2oc1CNCc1cnccc1C ZINC000354201000 1127298022 /nfs/dbraw/zinc/29/80/22/1127298022.db2.gz WURFZHJMFMVEMH-UHFFFAOYSA-N 0 1 284.334 3.874 20 0 CHADMN CCCN(CC)Cc1cc(F)ccc1Br ZINC000591374601 1127299577 /nfs/dbraw/zinc/29/95/77/1127299577.db2.gz KYUOLGAOYHHBKU-UHFFFAOYSA-N 0 1 274.177 3.820 20 0 CHADMN CCCOc1ccc([C@@H](C)N[C@@H](C)c2ccnnc2)cc1 ZINC000924859150 1127300238 /nfs/dbraw/zinc/30/02/38/1127300238.db2.gz QNHNXWBFMKFLKH-KGLIPLIRSA-N 0 1 285.391 3.677 20 0 CHADMN Cc1cc(-c2noc([C@@H]3CC[C@H]4C[C@H]4C3)n2)cc2nc[nH]c21 ZINC000573233988 1127304500 /nfs/dbraw/zinc/30/45/00/1127304500.db2.gz KVSMOUHPJFAUPJ-TUAOUCFPSA-N 0 1 294.358 3.825 20 0 CHADMN COc1ccncc1CN(C)[C@@H](C)c1ccccc1C ZINC000287411505 1127305106 /nfs/dbraw/zinc/30/51/06/1127305106.db2.gz SIIRNXCONCHCNZ-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@H](CCO)C1 ZINC000591473191 1127305307 /nfs/dbraw/zinc/30/53/07/1127305307.db2.gz GGPSTSGFQHFGIN-VXGBXAGGSA-N 0 1 285.790 3.635 20 0 CHADMN COc1cc([C@@H](C)N[C@H]2CCc3ccccc32)c(F)cn1 ZINC000287537419 1127309327 /nfs/dbraw/zinc/30/93/27/1127309327.db2.gz DWPOJTVIVPZVPN-BZNIZROVSA-N 0 1 286.350 3.567 20 0 CHADMN CCc1ccc(CN[C@H](C)c2cc(OC)ncc2F)s1 ZINC000287599294 1127310165 /nfs/dbraw/zinc/31/01/65/1127310165.db2.gz INCCOYXPJNUXPY-SNVBAGLBSA-N 0 1 294.395 3.704 20 0 CHADMN COC[C@@H](NC[C@@H](C)SC)c1cccc(Cl)c1F ZINC000287673394 1127311989 /nfs/dbraw/zinc/31/19/89/1127311989.db2.gz MGEJJDIOPXUEEE-BXKDBHETSA-N 0 1 291.819 3.508 20 0 CHADMN C[C@@H]1C[C@@H](NCc2nn(C)c3ccccc23)c2ccccc21 ZINC000591720280 1127312934 /nfs/dbraw/zinc/31/29/34/1127312934.db2.gz ULPAONXLXCAFRC-CXAGYDPISA-N 0 1 291.398 3.911 20 0 CHADMN CCCC[C@H](CC)CN(C)Cc1ncc(Cl)n1C ZINC000760871276 1127314023 /nfs/dbraw/zinc/31/40/23/1127314023.db2.gz LWQGKHSQTGADJV-LBPRGKRZSA-N 0 1 271.836 3.722 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000573500310 1127316433 /nfs/dbraw/zinc/31/64/33/1127316433.db2.gz QMDOHZZSHVFOIM-UKRRQHHQSA-N 0 1 299.370 3.746 20 0 CHADMN CCO[C@H](C)c1nc(CN2CC[C@H]3CCC[C@@H]32)cs1 ZINC000355157481 1127321687 /nfs/dbraw/zinc/32/16/87/1127321687.db2.gz BVSAJUSHHJYHIB-BZPMIXESSA-N 0 1 280.437 3.615 20 0 CHADMN COc1cnc(CN2CCC[C@@H](C)[C@@H](C)C2)c(Cl)c1 ZINC001238484351 1131207289 /nfs/dbraw/zinc/20/72/89/1131207289.db2.gz MQXBKKRCOKVPFZ-NEPJUHHUSA-N 0 1 282.815 3.612 20 0 CHADMN C[C@@H](Nc1ccc2nn[nH]c2c1)[C@@H]1C[C@H]1c1cccs1 ZINC000669421145 1127320095 /nfs/dbraw/zinc/32/00/95/1127320095.db2.gz RKOCIOVBXLWHLO-ADEWGFFLSA-N 0 1 284.388 3.624 20 0 CHADMN C[C@@H](Nc1ccc2n[nH]nc2c1)[C@@H]1C[C@H]1c1cccs1 ZINC000669421145 1127320099 /nfs/dbraw/zinc/32/00/99/1127320099.db2.gz RKOCIOVBXLWHLO-ADEWGFFLSA-N 0 1 284.388 3.624 20 0 CHADMN CCCn1c2ccccc2nc1C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000355142154 1127320467 /nfs/dbraw/zinc/32/04/67/1127320467.db2.gz ZRAFBUYLBIGGDS-KBPBESRZSA-N 0 1 271.408 3.677 20 0 CHADMN C[C@H]1COC(C)(C)CN1Cc1ccc(C(F)F)cc1 ZINC000355185229 1127323064 /nfs/dbraw/zinc/32/30/64/1127323064.db2.gz XTRHEMBOQFMNQP-NSHDSACASA-N 0 1 269.335 3.624 20 0 CHADMN CCC1CCC([N@H+](Cc2ncccc2[O-])C2CC2)CC1 ZINC000573644768 1127323371 /nfs/dbraw/zinc/32/33/71/1127323371.db2.gz CVLJGGOMRPHEBU-UHFFFAOYSA-N 0 1 274.408 3.720 20 0 CHADMN CCC1CCC([N@@H+](Cc2ncccc2[O-])C2CC2)CC1 ZINC000573644768 1127323375 /nfs/dbraw/zinc/32/33/75/1127323375.db2.gz CVLJGGOMRPHEBU-UHFFFAOYSA-N 0 1 274.408 3.720 20 0 CHADMN Cc1ccc(Cl)c(CN(C)C[C@H]2CCCCO2)c1 ZINC001238557663 1131214572 /nfs/dbraw/zinc/21/45/72/1131214572.db2.gz RQBBOTGNDZCJKU-CQSZACIVSA-N 0 1 267.800 3.649 20 0 CHADMN CC[C@@H](C)CCC(=O)Nc1cc2cn[nH]c2cc1C ZINC000355191604 1127324112 /nfs/dbraw/zinc/32/41/12/1127324112.db2.gz BHZVRGFVCVHMCA-SNVBAGLBSA-N 0 1 259.353 3.636 20 0 CHADMN CC[C@@H](C)[C@H](C)N(C(=O)c1cccc2c[nH]nc21)C1CC1 ZINC000355202368 1127324774 /nfs/dbraw/zinc/32/47/74/1127324774.db2.gz CXSNLMZCWAUTCD-NEPJUHHUSA-N 0 1 285.391 3.602 20 0 CHADMN Cc1oc2ccccc2c1CN1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000355213964 1127326243 /nfs/dbraw/zinc/32/62/43/1127326243.db2.gz GHEJSWHREMXKBE-KPZWWZAWSA-N 0 1 285.387 3.741 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000573699696 1127327818 /nfs/dbraw/zinc/32/78/18/1127327818.db2.gz PVOJKBIFSXPXEW-BLLLJJGKSA-N 0 1 293.382 3.925 20 0 CHADMN Cc1nnsc1CN1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000573729394 1127328202 /nfs/dbraw/zinc/32/82/02/1127328202.db2.gz FYYYGNRXJUNQFV-SWLSCSKDSA-N 0 1 287.432 3.615 20 0 CHADMN Cc1cc(CN[C@@H](C)CF)ccc1Oc1cccnc1 ZINC000288339489 1127332518 /nfs/dbraw/zinc/33/25/18/1127332518.db2.gz BITDZUWKVOLCPZ-ZDUSSCGKSA-N 0 1 274.339 3.630 20 0 CHADMN C[C@]1(F)CCN(Cc2cccc(-c3ccncc3)c2)C1 ZINC000355355894 1127335635 /nfs/dbraw/zinc/33/56/35/1127335635.db2.gz OVPIYCUMUHYYSK-KRWDZBQOSA-N 0 1 270.351 3.683 20 0 CHADMN COC[C@@H](NCc1scnc1C)c1cccc(Cl)c1 ZINC000288441583 1127339602 /nfs/dbraw/zinc/33/96/02/1127339602.db2.gz CGYMYBDQZIFCBO-CYBMUJFWSA-N 0 1 296.823 3.582 20 0 CHADMN Clc1cccc(OCCN2Cc3ccccc3C2)c1 ZINC000592317653 1127342470 /nfs/dbraw/zinc/34/24/70/1127342470.db2.gz RCPQYONJBKAOSF-UHFFFAOYSA-N 0 1 273.763 3.735 20 0 CHADMN COc1ccc(CN(C(C)C)C2CC2)c(Br)c1 ZINC000573961436 1127348821 /nfs/dbraw/zinc/34/88/21/1127348821.db2.gz XBXVYKPUUJKZDX-UHFFFAOYSA-N 0 1 298.224 3.831 20 0 CHADMN Cc1ccoc1CN1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592524755 1127353228 /nfs/dbraw/zinc/35/32/28/1127353228.db2.gz IPFCCDJFHHHPIU-UHFFFAOYSA-N 0 1 293.407 3.532 20 0 CHADMN CC[N@@H+](CCSC)Cc1cnc(CC(C)C)s1 ZINC000592530643 1127353426 /nfs/dbraw/zinc/35/34/26/1127353426.db2.gz QEKRURHCBFJRNZ-UHFFFAOYSA-N 0 1 272.483 3.527 20 0 CHADMN CCN(CCSC)Cc1cnc(CC(C)C)s1 ZINC000592530643 1127353429 /nfs/dbraw/zinc/35/34/29/1127353429.db2.gz QEKRURHCBFJRNZ-UHFFFAOYSA-N 0 1 272.483 3.527 20 0 CHADMN Cc1ccc(CN[C@@H]2c3ccccc3O[C@@H]2C)s1 ZINC000288701333 1127357696 /nfs/dbraw/zinc/35/76/96/1127357696.db2.gz YMZOKWOQXRJFIK-ABAIWWIYSA-N 0 1 259.374 3.668 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2noc(-c3ccccc3)n2)C1 ZINC000355778969 1127364134 /nfs/dbraw/zinc/36/41/34/1127364134.db2.gz GAYZGHQNUNOSOT-MCIONIFRSA-N 0 1 285.391 3.603 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@H]2CCC=CO2)cs1 ZINC000783310282 1127361571 /nfs/dbraw/zinc/36/15/71/1127361571.db2.gz NMEHAVKIMHFPNN-VXGBXAGGSA-N 0 1 266.410 3.610 20 0 CHADMN CS[C@H]1CCCC[N@@H+](Cc2cc(OC(C)C)ccn2)C1 ZINC000593022797 1127365568 /nfs/dbraw/zinc/36/55/68/1127365568.db2.gz KGIUBSLWYPEYMP-INIZCTEOSA-N 0 1 294.464 3.586 20 0 CHADMN COc1ccc(CN(Cc2cc(C)no2)C(C)(C)C)cc1 ZINC000288958498 1127368030 /nfs/dbraw/zinc/36/80/30/1127368030.db2.gz XZKUPKUIKUNCNF-UHFFFAOYSA-N 0 1 288.391 3.792 20 0 CHADMN c1nc2cc(-c3noc(C[C@H]4C=CCCC4)n3)ccc2[nH]1 ZINC000288945144 1127368086 /nfs/dbraw/zinc/36/80/86/1127368086.db2.gz GATRFSOYPGWYHU-NSHDSACASA-N 0 1 280.331 3.512 20 0 CHADMN c1nc2cc(-c3noc(C[C@@H]4C=CCCC4)n3)ccc2[nH]1 ZINC000288945141 1127368231 /nfs/dbraw/zinc/36/82/31/1127368231.db2.gz GATRFSOYPGWYHU-LLVKDONJSA-N 0 1 280.331 3.512 20 0 CHADMN C[C@H]1C[C@H](NCc2cn3ccsc3n2)c2ccccc21 ZINC000289163892 1127375956 /nfs/dbraw/zinc/37/59/56/1127375956.db2.gz HCTPBOWLEHFWJM-NHYWBVRUSA-N 0 1 283.400 3.734 20 0 CHADMN CC(C)c1ccc(CNCc2cnc([C@@H](C)O)s2)cc1 ZINC000289282945 1127380383 /nfs/dbraw/zinc/38/03/83/1127380383.db2.gz OUGRYSYUJZICPP-GFCCVEGCSA-N 0 1 290.432 3.610 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@H](C)c2ncc(C)o2)C1(CC)CC ZINC000356289749 1127381067 /nfs/dbraw/zinc/38/10/67/1127381067.db2.gz ULFNITSRPLPTCQ-MGPQQGTHSA-N 0 1 280.412 3.617 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000049842267 1127383001 /nfs/dbraw/zinc/38/30/01/1127383001.db2.gz SKUPWHDYUGXPGC-LSDHHAIUSA-N 0 1 269.429 3.780 20 0 CHADMN N#CC(C(=O)C=Cc1ccco1)c1nc2ccccc2s1 ZINC000046439542 1127400874 /nfs/dbraw/zinc/40/08/74/1127400874.db2.gz UXFATUKOHPILOM-ABZNLYFFSA-N 0 1 294.335 3.779 20 0 CHADMN Cc1cc([C@H](C)N[C@H](CO)c2cccc(F)c2)c(C)s1 ZINC000358154949 1127405268 /nfs/dbraw/zinc/40/52/68/1127405268.db2.gz IOLVMIBQUSMHLC-MEDUHNTESA-N 0 1 293.407 3.888 20 0 CHADMN C[C@@H](c1ccccc1F)N1CC[C@H](C(F)(F)F)C1 ZINC000761043517 1127406813 /nfs/dbraw/zinc/40/68/13/1127406813.db2.gz WOEUIKVMIANMFM-UWVGGRQHSA-N 0 1 261.262 3.771 20 0 CHADMN C[N@@H+](Cn1cccnc1=S)[C@@H]1CCCc2ccccc21 ZINC000046476716 1127408265 /nfs/dbraw/zinc/40/82/65/1127408265.db2.gz VVLDSOWYAMVRNQ-OAHLLOKOSA-N 0 1 285.416 3.579 20 0 CHADMN CN(Cn1cccnc1=S)[C@@H]1CCCc2ccccc21 ZINC000046476716 1127408269 /nfs/dbraw/zinc/40/82/69/1127408269.db2.gz VVLDSOWYAMVRNQ-OAHLLOKOSA-N 0 1 285.416 3.579 20 0 CHADMN CC(C)(C)c1nnc(CN[C@H]2CCCC2(C)C)s1 ZINC000358282160 1127412784 /nfs/dbraw/zinc/41/27/84/1127412784.db2.gz BJTKBWUGCISZTR-JTQLQIEISA-N 0 1 267.442 3.504 20 0 CHADMN CC(C)CC[C@@H](C)NCc1nnc(C(C)C)s1 ZINC000358287006 1127412792 /nfs/dbraw/zinc/41/27/92/1127412792.db2.gz HYGVRUHXRHLBNF-LLVKDONJSA-N 0 1 255.431 3.576 20 0 CHADMN CCC1(CC)CCCN(C(=O)[C@@H]2CCN2C(C)(C)C)CC1 ZINC001296443814 1127413038 /nfs/dbraw/zinc/41/30/38/1127413038.db2.gz AABLXRVYJRYYTB-HNNXBMFYSA-N 0 1 294.483 3.678 20 0 CHADMN FC(F)(F)c1ccccc1CN[C@@H]1CCc2cccnc21 ZINC000226819528 1127427192 /nfs/dbraw/zinc/42/71/92/1127427192.db2.gz SYLCMMDDPZSKEM-CQSZACIVSA-N 0 1 292.304 3.878 20 0 CHADMN CCCc1nc(CN2CCCCC[C@H]2C)cs1 ZINC000358580669 1127428064 /nfs/dbraw/zinc/42/80/64/1127428064.db2.gz ORPGYSKWZGYRHI-GFCCVEGCSA-N 0 1 252.427 3.860 20 0 CHADMN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CC[C@H]2C[C@H]21 ZINC000761082751 1127437479 /nfs/dbraw/zinc/43/74/79/1127437479.db2.gz ILDSWKHJQNPJQF-AYMQEEERSA-N 0 1 286.419 3.621 20 0 CHADMN Cc1ccccc1C[C@@H]1CCCN1Cc1nc(C(C)C)no1 ZINC000358964958 1127441721 /nfs/dbraw/zinc/44/17/21/1127441721.db2.gz JODCZDIICULUKT-INIZCTEOSA-N 0 1 299.418 3.709 20 0 CHADMN C[C@@H]([NH2+]C/C=C\Cl)c1cc(Br)ccc1[O-] ZINC000903443711 1127446931 /nfs/dbraw/zinc/44/69/31/1127446931.db2.gz JFUTVUZGHIOXCN-ZTHSNPKKSA-N 0 1 290.588 3.558 20 0 CHADMN C[C@H](c1ccccc1Br)N1CC[C@@H]2C[C@@H]21 ZINC000761090435 1127451481 /nfs/dbraw/zinc/45/14/81/1127451481.db2.gz KCIPZRCMAGMXQC-BREBYQMCSA-N 0 1 266.182 3.604 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccccc1N(C)C ZINC000359217082 1127454515 /nfs/dbraw/zinc/45/45/15/1127454515.db2.gz ANFZDFNDFQPDJV-QWHCGFSZSA-N 0 1 287.382 3.699 20 0 CHADMN COc1cc(C)c(CN(Cc2ccco2)C(C)C)c(C)n1 ZINC000359231706 1127454866 /nfs/dbraw/zinc/45/48/66/1127454866.db2.gz UBYAAJUKCBCAQU-UHFFFAOYSA-N 0 1 288.391 3.711 20 0 CHADMN C[C@H](N[C@@H](C)c1cncc(F)c1)c1ccc2c(c1)COC2 ZINC000359250741 1127455189 /nfs/dbraw/zinc/45/51/89/1127455189.db2.gz WMELHBRZCMTBIN-RYUDHWBXSA-N 0 1 286.350 3.663 20 0 CHADMN Fc1ccc(CN[C@H](c2cccs2)C2CC2)nc1 ZINC000359303328 1127457366 /nfs/dbraw/zinc/45/73/66/1127457366.db2.gz GDEOQYJFAMOVRN-AWEZNQCLSA-N 0 1 262.353 3.523 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1ccccn1)[C@H]2C ZINC000359304223 1127458081 /nfs/dbraw/zinc/45/80/81/1127458081.db2.gz VOKPICVLGNSMHC-KGLIPLIRSA-N 0 1 282.387 3.598 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1ccccn1)[C@@H]2C ZINC000359304232 1127458239 /nfs/dbraw/zinc/45/82/39/1127458239.db2.gz VOKPICVLGNSMHC-ZIAGYGMSSA-N 0 1 282.387 3.598 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1cccnc1)[C@H]2C ZINC000359307319 1127458417 /nfs/dbraw/zinc/45/84/17/1127458417.db2.gz YALSDMAIGNEHRR-KGLIPLIRSA-N 0 1 282.387 3.598 20 0 CHADMN CC(C)(C)C(F)(F)CNC[C@@H]1CCN(c2ccccc2)C1 ZINC000630074539 1127459135 /nfs/dbraw/zinc/45/91/35/1127459135.db2.gz QJVLLBDDBREVHW-AWEZNQCLSA-N 0 1 296.405 3.784 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@H](C)c1cnn(C(C)C)c1 ZINC000359334611 1127459526 /nfs/dbraw/zinc/45/95/26/1127459526.db2.gz CVSFPIFSMWOZNC-ZIAGYGMSSA-N 0 1 286.423 3.833 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@@H](C)c1cncs1 ZINC000359340586 1127459668 /nfs/dbraw/zinc/45/96/68/1127459668.db2.gz LEIXBPIHRYFHTL-MNOVXSKESA-N 0 1 261.394 3.512 20 0 CHADMN COc1cc2c(cc1F)nccc2NCc1ccco1 ZINC000359365048 1127460157 /nfs/dbraw/zinc/46/01/57/1127460157.db2.gz QBYYXWVQXZHXGY-UHFFFAOYSA-N 0 1 272.279 3.588 20 0 CHADMN CC(C)[C@@H](NCc1ccc(F)cc1F)c1cccnc1 ZINC000359376548 1127460639 /nfs/dbraw/zinc/46/06/39/1127460639.db2.gz WCXSMJYOVFUJDX-MRXNPFEDSA-N 0 1 276.330 3.847 20 0 CHADMN COc1ccnc(CN(Cc2cccc(F)c2)C(C)C)c1 ZINC000359411302 1127462627 /nfs/dbraw/zinc/46/26/27/1127462627.db2.gz HZOLLUFJUNGPSQ-UHFFFAOYSA-N 0 1 288.366 3.640 20 0 CHADMN c1ccc([C@@H]2C[C@@H]2CSCc2n[nH]c(C3CC3)n2)cc1 ZINC000359503272 1127465241 /nfs/dbraw/zinc/46/52/41/1127465241.db2.gz HDWHREKGGYCPAE-KGLIPLIRSA-N 0 1 285.416 3.719 20 0 CHADMN CC(C)N(Cc1cn(-c2ccc(Cl)cc2)nn1)C(C)C ZINC000359513480 1127465740 /nfs/dbraw/zinc/46/57/40/1127465740.db2.gz GVHNPNCDWFKUGG-UHFFFAOYSA-N 0 1 292.814 3.540 20 0 CHADMN CC[C@@]1(C)COCCN1Cc1ccc(C(F)F)cc1 ZINC000359577295 1127468521 /nfs/dbraw/zinc/46/85/21/1127468521.db2.gz GLIMEDMLYIYZHR-HNNXBMFYSA-N 0 1 269.335 3.625 20 0 CHADMN C[C@H]1CC[C@]2(CCN(Cc3nc(-c4ccccc4)no3)C2)C1 ZINC000359552021 1127466869 /nfs/dbraw/zinc/46/68/69/1127466869.db2.gz FZRCZWCPFFOMRQ-KSSFIOAISA-N 0 1 297.402 3.749 20 0 CHADMN c1ccc(C2CC2)c(CN[C@H]2COCc3ccccc32)c1 ZINC000669573700 1127467259 /nfs/dbraw/zinc/46/72/59/1127467259.db2.gz JOGXMNHZTNXVGR-IBGZPJMESA-N 0 1 279.383 3.925 20 0 CHADMN C[C@H]1CC[C@@]2(CCN(Cc3cc(-c4ccco4)on3)C2)C1 ZINC000359555894 1127467739 /nfs/dbraw/zinc/46/77/39/1127467739.db2.gz LBSGAEGTCMLYDM-SUMWQHHRSA-N 0 1 286.375 3.947 20 0 CHADMN C[C@@H]1N(Cc2ccc(C(F)F)cc2)CCOC1(C)C ZINC000359621703 1127469964 /nfs/dbraw/zinc/46/99/64/1127469964.db2.gz YTKQOQCCXONDFJ-NSHDSACASA-N 0 1 269.335 3.624 20 0 CHADMN CCOC(=O)CCCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595677207 1127472014 /nfs/dbraw/zinc/47/20/14/1127472014.db2.gz SYFQPVWYNFNHRP-INIZCTEOSA-N 0 1 291.391 3.540 20 0 CHADMN CCc1ccc(CCSc2nc(C3CC3)n[nH]2)cc1 ZINC000359693750 1127473499 /nfs/dbraw/zinc/47/34/99/1127473499.db2.gz JIRDKEIHZCRLCC-UHFFFAOYSA-N 0 1 273.405 3.579 20 0 CHADMN CCc1ccc(CCSc2n[nH]c(C3CC3)n2)cc1 ZINC000359693750 1127473501 /nfs/dbraw/zinc/47/35/01/1127473501.db2.gz JIRDKEIHZCRLCC-UHFFFAOYSA-N 0 1 273.405 3.579 20 0 CHADMN CC[C@H](C)CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000359794195 1127478373 /nfs/dbraw/zinc/47/83/73/1127478373.db2.gz QAXYUSUDPMRWOD-ZETCQYMHSA-N 0 1 259.708 3.559 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1ccc(C)nc1C ZINC000359836257 1127479583 /nfs/dbraw/zinc/47/95/83/1127479583.db2.gz XRKNDOZOVFRMFC-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN CCOc1ncccc1CN[C@@H](C)c1sccc1C ZINC000359857711 1127480992 /nfs/dbraw/zinc/48/09/92/1127480992.db2.gz OMTOXGHAQBKUDB-LBPRGKRZSA-N 0 1 276.405 3.701 20 0 CHADMN Cc1ccc(CN2CC[C@@H]2c2ccccc2)c(C)n1 ZINC000359877663 1127481542 /nfs/dbraw/zinc/48/15/42/1127481542.db2.gz OKGXLMOHOWEAJJ-QGZVFWFLSA-N 0 1 252.361 3.645 20 0 CHADMN Brc1c[nH]c(CN2CCC[C@H]3CCC[C@@H]32)c1 ZINC001231574087 1127482968 /nfs/dbraw/zinc/48/29/68/1127482968.db2.gz ICNXDXXTCVADRT-MFKMUULPSA-N 0 1 283.213 3.542 20 0 CHADMN CC1CCC(CC(=O)Nc2cccc(-c3nnc[nH]3)c2)CC1 ZINC000360016010 1127486924 /nfs/dbraw/zinc/48/69/24/1127486924.db2.gz KSKIHDIHTSSNPR-UHFFFAOYSA-N 0 1 298.390 3.627 20 0 CHADMN Oc1cccc(C[N@H+]2CC[C@H](C3CCC3)C2)c1Cl ZINC001308817934 1127493666 /nfs/dbraw/zinc/49/36/66/1127493666.db2.gz NBYAQYIUWMNJST-LBPRGKRZSA-N 0 1 265.784 3.668 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CC[C@H](C3CCC3)C2)c1Cl ZINC001308817934 1127493667 /nfs/dbraw/zinc/49/36/67/1127493667.db2.gz NBYAQYIUWMNJST-LBPRGKRZSA-N 0 1 265.784 3.668 20 0 CHADMN [O-]c1cccc(C[N@H+]2CC[C@H](C3CCC3)C2)c1Cl ZINC001308817934 1127493668 /nfs/dbraw/zinc/49/36/68/1127493668.db2.gz NBYAQYIUWMNJST-LBPRGKRZSA-N 0 1 265.784 3.668 20 0 CHADMN COCCNc1cc(C)nc2c(C)cc(Cl)cc12 ZINC000360278448 1127494644 /nfs/dbraw/zinc/49/46/44/1127494644.db2.gz JWXBKDXZPPMYFE-UHFFFAOYSA-N 0 1 264.756 3.563 20 0 CHADMN CSc1ccc(CN[C@@H](C)c2cnc(C)nc2C)cc1 ZINC000360579764 1127502091 /nfs/dbraw/zinc/50/20/91/1127502091.db2.gz LCOIDMKYACUXEE-NSHDSACASA-N 0 1 287.432 3.666 20 0 CHADMN Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1F ZINC000293594586 1127507892 /nfs/dbraw/zinc/50/78/92/1127507892.db2.gz IRSARRBKJUDLMN-QGZVFWFLSA-N 0 1 289.394 3.525 20 0 CHADMN Cc1nocc1C[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000293651833 1127510665 /nfs/dbraw/zinc/51/06/65/1127510665.db2.gz OUAMXHBQVJJBAY-UHFFFAOYSA-N 0 1 268.360 3.581 20 0 CHADMN Cc1nocc1CN1CC=C(c2cccc(C)c2)CC1 ZINC000293651833 1127510668 /nfs/dbraw/zinc/51/06/68/1127510668.db2.gz OUAMXHBQVJJBAY-UHFFFAOYSA-N 0 1 268.360 3.581 20 0 CHADMN Clc1csc(CN2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000293659362 1127511238 /nfs/dbraw/zinc/51/12/38/1127511238.db2.gz NTBNFSGYRLGPDH-AWEZNQCLSA-N 0 1 297.851 3.793 20 0 CHADMN COC(=O)c1ccc(CN[C@H](C)c2cccc(C3CC3)c2)o1 ZINC000293666225 1127512166 /nfs/dbraw/zinc/51/21/66/1127512166.db2.gz JNHGMDOLHUYOEU-GFCCVEGCSA-N 0 1 299.370 3.794 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H](C)Oc2ccc(C)cc2)cs1 ZINC000361005713 1127528957 /nfs/dbraw/zinc/52/89/57/1127528957.db2.gz WSBRFXWTCAWDPV-CHWSQXEVSA-N 0 1 290.432 3.878 20 0 CHADMN C[C@@H](CSCCF)Nc1ccc2cnccc2c1 ZINC000597148401 1127530089 /nfs/dbraw/zinc/53/00/89/1127530089.db2.gz DGQBFDQAQKGCIU-NSHDSACASA-N 0 1 264.369 3.738 20 0 CHADMN CCN(C)c1ccc(CN(C)Cc2sccc2C)cn1 ZINC000361015434 1127530085 /nfs/dbraw/zinc/53/00/85/1127530085.db2.gz BHFCXHMHXXGKHP-UHFFFAOYSA-N 0 1 289.448 3.540 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2c2ccsc2)cn1 ZINC000360973492 1127525652 /nfs/dbraw/zinc/52/56/52/1127525652.db2.gz COMZHDAKLZOBQD-HNNXBMFYSA-N 0 1 258.390 3.789 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCC1CCCCC1 ZINC000228111774 1127527932 /nfs/dbraw/zinc/52/79/32/1127527932.db2.gz OYCBOHIFNVSADI-JYJNAYRXSA-N 0 1 279.424 3.675 20 0 CHADMN COc1cc([C@@H](C)N[C@@H]2CCCc3ccc(O)cc32)ccn1 ZINC000361001330 1127528136 /nfs/dbraw/zinc/52/81/36/1127528136.db2.gz FEPUJNIWGUTMPL-SJKOYZFVSA-N 0 1 298.386 3.524 20 0 CHADMN C[C@H]1c2ccccc2CN1CCC(=O)Nc1cccc(F)c1 ZINC000361074220 1127535684 /nfs/dbraw/zinc/53/56/84/1127535684.db2.gz SKVDXBJNKHUJDT-ZDUSSCGKSA-N 0 1 298.361 3.731 20 0 CHADMN Cn1cc(CN2CC(C)(C)CC(C)(C)C2)c(C(F)F)n1 ZINC000361119045 1127539474 /nfs/dbraw/zinc/53/94/74/1127539474.db2.gz ZKCXEKSZOGMZQI-UHFFFAOYSA-N 0 1 285.382 3.616 20 0 CHADMN CCc1ccc([C@H](CC)NCc2cnccc2OC)cc1 ZINC000294006690 1127540707 /nfs/dbraw/zinc/54/07/07/1127540707.db2.gz DBBPGPFQWNRMSW-KRWDZBQOSA-N 0 1 284.403 3.894 20 0 CHADMN Cc1ccoc1C[N@@H+]1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000361138348 1127540717 /nfs/dbraw/zinc/54/07/17/1127540717.db2.gz AUMLLKLLNRXIFV-MNOVXSKESA-N 0 1 261.287 3.751 20 0 CHADMN Cc1ccoc1CN1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000361138348 1127540719 /nfs/dbraw/zinc/54/07/19/1127540719.db2.gz AUMLLKLLNRXIFV-MNOVXSKESA-N 0 1 261.287 3.751 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cn(C)nc2C(F)F)c1 ZINC000361135191 1127540787 /nfs/dbraw/zinc/54/07/87/1127540787.db2.gz DRIKJXWXBGYQCW-UHFFFAOYSA-N 0 1 293.361 3.607 20 0 CHADMN COc1ccc(F)cc1CNCc1ccc2ncccc2c1 ZINC000361137514 1127541049 /nfs/dbraw/zinc/54/10/49/1127541049.db2.gz YWYKVQKQCDRXLB-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000361109827 1127538885 /nfs/dbraw/zinc/53/88/85/1127538885.db2.gz FPXOVOXOCUURQY-YIOZNXECSA-N 0 1 285.497 3.600 20 0 CHADMN CC[C@]1(C)COCCN1Cc1c(C)oc2ccccc21 ZINC000361156838 1127543311 /nfs/dbraw/zinc/54/33/11/1127543311.db2.gz YUZICJQOPASMDY-QGZVFWFLSA-N 0 1 273.376 3.742 20 0 CHADMN FC(F)(F)c1cncc(CN2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000361320201 1127556844 /nfs/dbraw/zinc/55/68/44/1127556844.db2.gz YYAGNYHEZHBDQH-JSGCOSHPSA-N 0 1 284.325 3.865 20 0 CHADMN c1ccc([C@@H]2CCN2Cc2ccc3c(c2)CCO3)cc1 ZINC000361384249 1127559908 /nfs/dbraw/zinc/55/99/08/1127559908.db2.gz JLTHMXOKYULSHU-KRWDZBQOSA-N 0 1 265.356 3.569 20 0 CHADMN Cc1c(CSC(C)C)cccc1NC(=O)[C@@H](C)N(C)C ZINC000602111471 1127560938 /nfs/dbraw/zinc/56/09/38/1127560938.db2.gz UFOHLPQTGHMCGW-CYBMUJFWSA-N 0 1 294.464 3.525 20 0 CHADMN FC(F)c1ccnc(CN[C@H]2CCCC23CCCC3)n1 ZINC000294302596 1127563694 /nfs/dbraw/zinc/56/36/94/1127563694.db2.gz NMEILRNPZKDJPR-LBPRGKRZSA-N 0 1 281.350 3.617 20 0 CHADMN CCc1ccc([C@H](C)NCc2cccc(-n3ccnc3)c2)o1 ZINC000361483466 1127566472 /nfs/dbraw/zinc/56/64/72/1127566472.db2.gz DPPPIYGEXYTPLK-AWEZNQCLSA-N 0 1 295.386 3.879 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2conc2C)o1 ZINC000294353404 1127567301 /nfs/dbraw/zinc/56/73/01/1127567301.db2.gz SSDIKIVBXGZWHP-ABAIWWIYSA-N 0 1 274.364 3.858 20 0 CHADMN CCOC(=O)CC(C)(C)N(C)Cc1ccsc1Cl ZINC000361543414 1127570481 /nfs/dbraw/zinc/57/04/81/1127570481.db2.gz OGCOYLSBXPICMH-UHFFFAOYSA-N 0 1 289.828 3.565 20 0 CHADMN CN(c1nc(CN2CCCC(C)(C)CC2)cs1)C1CC1 ZINC000361538666 1127571153 /nfs/dbraw/zinc/57/11/53/1127571153.db2.gz CYOZOPKKMGNVAE-UHFFFAOYSA-N 0 1 293.480 3.754 20 0 CHADMN CCOC[C@H]1CCCN(Cc2ccsc2Cl)C1 ZINC000361561946 1127572715 /nfs/dbraw/zinc/57/27/15/1127572715.db2.gz HHBSUPWBAUIOFZ-NSHDSACASA-N 0 1 273.829 3.650 20 0 CHADMN CC[N@@H+](CCc1nccs1)Cc1ccsc1Cl ZINC000361570407 1127572727 /nfs/dbraw/zinc/57/27/27/1127572727.db2.gz BXBBWOHPZMPHQD-UHFFFAOYSA-N 0 1 286.853 3.923 20 0 CHADMN CCN(CCc1nccs1)Cc1ccsc1Cl ZINC000361570407 1127572728 /nfs/dbraw/zinc/57/27/28/1127572728.db2.gz BXBBWOHPZMPHQD-UHFFFAOYSA-N 0 1 286.853 3.923 20 0 CHADMN CSCC[N@@H+](C)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000361570835 1127572959 /nfs/dbraw/zinc/57/29/59/1127572959.db2.gz FUNLJENDSKAHCN-UHFFFAOYSA-N 0 1 279.449 3.609 20 0 CHADMN CO[C@H](C)c1nc(CN(CC2CC2)C2CCC2)cs1 ZINC000361575379 1127573319 /nfs/dbraw/zinc/57/33/19/1127573319.db2.gz BJEUDOQUSQYTNO-LLVKDONJSA-N 0 1 280.437 3.615 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccsn1 ZINC000294476716 1127577328 /nfs/dbraw/zinc/57/73/28/1127577328.db2.gz IGSVBYYSSILRPB-UHFFFAOYSA-N 0 1 298.371 3.539 20 0 CHADMN COCCN(Cc1ncc(C(C)C)s1)[C@H]1CC[C@@H](C)C1 ZINC000361638294 1127577796 /nfs/dbraw/zinc/57/77/96/1127577796.db2.gz BUFPCKCNPXFKGA-KGLIPLIRSA-N 0 1 296.480 3.904 20 0 CHADMN Cn1ccc(CN(CCC(F)(F)F)Cc2ccccc2)c1 ZINC000361645426 1127579255 /nfs/dbraw/zinc/57/92/55/1127579255.db2.gz RWIZFFLCBSHDJE-UHFFFAOYSA-N 0 1 296.336 3.980 20 0 CHADMN CCc1cnc(CN(CCOC)C[C@H]2CC=CCC2)s1 ZINC000361686561 1127581550 /nfs/dbraw/zinc/58/15/50/1127581550.db2.gz KQLCMWPDOBYNRO-AWEZNQCLSA-N 0 1 294.464 3.510 20 0 CHADMN CCCN(Cc1ncccn1)[C@@H](CC)c1ccccc1 ZINC000361711510 1127583413 /nfs/dbraw/zinc/58/34/13/1127583413.db2.gz JQXOOCXUOKZQCD-INIZCTEOSA-N 0 1 269.392 3.840 20 0 CHADMN COc1ccc(Cl)c(CN2CCCC3(CC3)C2)c1 ZINC000361765908 1127587912 /nfs/dbraw/zinc/58/79/12/1127587912.db2.gz MAFLSTIKAGGDST-UHFFFAOYSA-N 0 1 265.784 3.725 20 0 CHADMN CCC[C@H](NCc1cc(F)ncc1F)c1ccccc1 ZINC000294707401 1127594004 /nfs/dbraw/zinc/59/40/04/1127594004.db2.gz HBMKZOBNBFCNNN-HNNXBMFYSA-N 0 1 276.330 3.991 20 0 CHADMN CCO[C@H]1CCCN([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000602578883 1127596077 /nfs/dbraw/zinc/59/60/77/1127596077.db2.gz NZBCORXMRMSCCL-AAEUAGOBSA-N 0 1 269.335 3.527 20 0 CHADMN CC(C)CSCCCNCc1nc2ccccc2o1 ZINC000602578947 1127596289 /nfs/dbraw/zinc/59/62/89/1127596289.db2.gz XBPKHRITKWNUOL-UHFFFAOYSA-N 0 1 278.421 3.697 20 0 CHADMN Cc1nc(C)c([C@@H](C)N(C)Cc2ccncc2C)s1 ZINC000294827860 1127602577 /nfs/dbraw/zinc/60/25/77/1127602577.db2.gz NFPCDHISQUIFBO-GFCCVEGCSA-N 0 1 275.421 3.656 20 0 CHADMN C[C@H]1CCN(Cc2cccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC001232071363 1127603726 /nfs/dbraw/zinc/60/37/26/1127603726.db2.gz FRDGAIWTTOGDBT-QWRGUYRKSA-N 0 1 272.314 3.721 20 0 CHADMN CCn1cc([C@H](C)NCc2cc3cc(OC)ccc3o2)cn1 ZINC000294917611 1127608643 /nfs/dbraw/zinc/60/86/43/1127608643.db2.gz SUYNDPGWTMWIID-LBPRGKRZSA-N 0 1 299.374 3.509 20 0 CHADMN CSC1CCN(Cc2cnc(-c3ccco3)s2)CC1 ZINC000602727100 1127609792 /nfs/dbraw/zinc/60/97/92/1127609792.db2.gz YCOWDGFEGMYNSK-UHFFFAOYSA-N 0 1 294.445 3.731 20 0 CHADMN Cc1cccnc1CN1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000294943926 1127610381 /nfs/dbraw/zinc/61/03/81/1127610381.db2.gz HCYSFNIAKOWBBJ-NEPJUHHUSA-N 0 1 272.314 3.553 20 0 CHADMN CC[C@@H]1CCC[C@@H](NCc2ncc(C(F)(F)F)cn2)C1 ZINC000294962714 1127610592 /nfs/dbraw/zinc/61/05/92/1127610592.db2.gz ILRGGHRUBCCJEY-ZYHUDNBSSA-N 0 1 287.329 3.554 20 0 CHADMN COC(=O)c1csc(CNCc2csc(C)c2C)c1 ZINC000602731702 1127610649 /nfs/dbraw/zinc/61/06/49/1127610649.db2.gz AQYKFEFGDCTEAE-UHFFFAOYSA-N 0 1 295.429 3.503 20 0 CHADMN CCC[C@H](NCc1ccc(F)cn1)c1ccc(OC)cc1 ZINC000362127552 1127613102 /nfs/dbraw/zinc/61/31/02/1127613102.db2.gz ZVXRQTXSZZDADP-KRWDZBQOSA-N 0 1 288.366 3.860 20 0 CHADMN CC(C)=CCC[C@@H](C)NCc1ncc(C(F)(F)F)cn1 ZINC000295087423 1127619700 /nfs/dbraw/zinc/61/97/00/1127619700.db2.gz SUQOIJIHUWPYPO-LLVKDONJSA-N 0 1 287.329 3.720 20 0 CHADMN CCC(C)=CC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000295101586 1127620208 /nfs/dbraw/zinc/62/02/08/1127620208.db2.gz UFZLBOZFWKIMPP-SOFGYWHQSA-N 0 1 279.290 3.795 20 0 CHADMN Cc1ccncc1CNCc1cc(C2CC2)ccc1F ZINC000295106960 1127620390 /nfs/dbraw/zinc/62/03/90/1127620390.db2.gz LEBNTTRMHUOWPS-UHFFFAOYSA-N 0 1 270.351 3.696 20 0 CHADMN C[C@@H](CSC(C)(C)C)NCc1cc(F)cnc1Cl ZINC000295124844 1127621907 /nfs/dbraw/zinc/62/19/07/1127621907.db2.gz NTOBFNTZYMFQON-VIFPVBQESA-N 0 1 290.835 3.884 20 0 CHADMN CSC1CCN([C@H](C)c2cc(F)ccc2F)CC1 ZINC000602921339 1127622311 /nfs/dbraw/zinc/62/23/11/1127622311.db2.gz HJVWMKOOJXBXKD-SNVBAGLBSA-N 0 1 271.376 3.853 20 0 CHADMN CSC1CCN([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000602922115 1127622476 /nfs/dbraw/zinc/62/24/76/1127622476.db2.gz RBPKLPAGTJFCQT-JTQLQIEISA-N 0 1 271.376 3.853 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@H]2COc3ccc(C)cc32)s1 ZINC000362292859 1127625065 /nfs/dbraw/zinc/62/50/65/1127625065.db2.gz FAVFOMGAOBZKCA-RISCZKNCSA-N 0 1 288.416 3.853 20 0 CHADMN CCC1(NCc2noc(-c3ccsc3)n2)CCCC1 ZINC000295176019 1127625235 /nfs/dbraw/zinc/62/52/35/1127625235.db2.gz HIFCZVNEKPZVOP-UHFFFAOYSA-N 0 1 277.393 3.611 20 0 CHADMN COC1(c2ccccc2)CN(Cc2cccc3cc[nH]c32)C1 ZINC000362308283 1127627125 /nfs/dbraw/zinc/62/71/25/1127627125.db2.gz GYYYGNKBZXXFBA-UHFFFAOYSA-N 0 1 292.382 3.525 20 0 CHADMN Cc1cc(C)c(CN[C@H]2C[C@H](C)n3ccnc32)c(C)c1 ZINC000295234491 1127629274 /nfs/dbraw/zinc/62/92/74/1127629274.db2.gz OGXKEXQSRWGWNA-HOCLYGCPSA-N 0 1 269.392 3.604 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H]1CCCc2cc(OC)ccc21 ZINC000295239442 1127629447 /nfs/dbraw/zinc/62/94/47/1127629447.db2.gz OXJCKQQFANQKGA-SUMWQHHRSA-N 0 1 299.418 3.640 20 0 CHADMN CC[C@]1(C)CCCN(CC(=O)Nc2c(C)cccc2C)C1 ZINC000362391533 1127632478 /nfs/dbraw/zinc/63/24/78/1127632478.db2.gz PCGXVWWIJJDJES-GOSISDBHSA-N 0 1 288.435 3.754 20 0 CHADMN CCN(Cc1conc1C)[C@@H](C)c1cccc(OC)c1 ZINC000295293852 1127633072 /nfs/dbraw/zinc/63/30/72/1127633072.db2.gz JHGICCAPVNTXFQ-ZDUSSCGKSA-N 0 1 274.364 3.575 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1CCCCC1(F)F ZINC000295307646 1127633710 /nfs/dbraw/zinc/63/37/10/1127633710.db2.gz FVOWSCNPMISWMZ-NSHDSACASA-N 0 1 293.317 3.635 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC(OCC2CC2)CC1 ZINC000362437175 1127635686 /nfs/dbraw/zinc/63/56/86/1127635686.db2.gz IHBCCSMBHOALAQ-LBPRGKRZSA-N 0 1 295.373 3.917 20 0 CHADMN CCN(CCc1nccs1)Cc1cccc(O)c1Cl ZINC000295473927 1127643934 /nfs/dbraw/zinc/64/39/34/1127643934.db2.gz WRGZMJLZXYHQIT-UHFFFAOYSA-N 0 1 296.823 3.567 20 0 CHADMN C[C@@H](NCc1n[nH]c(C(C)(C)C)n1)c1cccc(C2CC2)c1 ZINC000295466752 1127644130 /nfs/dbraw/zinc/64/41/30/1127644130.db2.gz QLOUHEXUTYGGLP-GFCCVEGCSA-N 0 1 298.434 3.830 20 0 CHADMN Cc1nc(CN2C[C@@H](c3ccc(F)cc3)C[C@H]2C)co1 ZINC000659939761 1127650722 /nfs/dbraw/zinc/65/07/22/1127650722.db2.gz JGBJZJXYPUHOBG-RISCZKNCSA-N 0 1 274.339 3.500 20 0 CHADMN COc1cccc(CN[C@H]2CCc3ccc(C)cc32)c1F ZINC000669681759 1127651593 /nfs/dbraw/zinc/65/15/93/1127651593.db2.gz RWZLEZYAWUNLSJ-INIZCTEOSA-N 0 1 285.362 3.920 20 0 CHADMN CC[C@H]1CCC[C@H]1C(=O)Nc1cccc(Cl)c1O ZINC001447064268 1127652778 /nfs/dbraw/zinc/65/27/78/1127652778.db2.gz OZFLBPRZSAAGGH-VHSXEESVSA-N 0 1 267.756 3.810 20 0 CHADMN COc1ccc([C@H](N[C@H]2C[C@@H](C)n3ccnc32)C2CC2)cc1 ZINC000295809483 1127653520 /nfs/dbraw/zinc/65/35/20/1127653520.db2.gz CPRXKGAUSQRBJQ-OAUYIBNBSA-N 0 1 297.402 3.638 20 0 CHADMN CO[C@@H](CNCc1ncc(C)s1)c1ccc(Cl)cc1 ZINC000295876105 1127656295 /nfs/dbraw/zinc/65/62/95/1127656295.db2.gz XPNDDHCQTNPBHK-ZDUSSCGKSA-N 0 1 296.823 3.582 20 0 CHADMN C[C@](O)(CN1CC2(CCC2)[C@H]1c1ccccc1)C(F)(F)F ZINC000295915056 1127657046 /nfs/dbraw/zinc/65/70/46/1127657046.db2.gz HEKQFVGISDIEFM-KGLIPLIRSA-N 0 1 299.336 3.527 20 0 CHADMN CO[C@H]1CCN([C@@H](C)c2ccc(F)cc2F)CC1(C)C ZINC000295978810 1127658776 /nfs/dbraw/zinc/65/87/76/1127658776.db2.gz KWDUMLAMXPFDGL-NHYWBVRUSA-N 0 1 283.362 3.773 20 0 CHADMN CC(C)[N@H+](Cc1csc(Cl)n1)CC1CCC1 ZINC000296001602 1127659524 /nfs/dbraw/zinc/65/95/24/1127659524.db2.gz MUDGUZQDXAIJMP-UHFFFAOYSA-N 0 1 258.818 3.807 20 0 CHADMN CC(C)N(Cc1csc(Cl)n1)CC1CCC1 ZINC000296001602 1127659525 /nfs/dbraw/zinc/65/95/25/1127659525.db2.gz MUDGUZQDXAIJMP-UHFFFAOYSA-N 0 1 258.818 3.807 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H](C)c1ccc(C)cc1C ZINC000296173250 1127664438 /nfs/dbraw/zinc/66/44/38/1127664438.db2.gz XTEUWJGTRMXKJL-GJZGRUSLSA-N 0 1 271.408 3.932 20 0 CHADMN Cc1cc(CNC(C)(C)c2c(C)noc2C)cs1 ZINC000296213319 1127665179 /nfs/dbraw/zinc/66/51/79/1127665179.db2.gz ZUOWCEMVHNAJFZ-UHFFFAOYSA-N 0 1 264.394 3.686 20 0 CHADMN CCC(C)(C)C1CCC(NC(=O)[C@@H]2CCCCN2C)CC1 ZINC000599302291 1127667588 /nfs/dbraw/zinc/66/75/88/1127667588.db2.gz PJGLOXCOPNWTAZ-GPANFISMSA-N 0 1 294.483 3.582 20 0 CHADMN FC1(F)CC(CN(Cc2ccco2)Cc2cccnc2)C1 ZINC000296342773 1127669498 /nfs/dbraw/zinc/66/94/98/1127669498.db2.gz QKEGIXWATNFKOB-UHFFFAOYSA-N 0 1 292.329 3.722 20 0 CHADMN Cc1occc1CN[C@H](C)c1cnn(C2CCCC2)c1 ZINC000669699010 1127674852 /nfs/dbraw/zinc/67/48/52/1127674852.db2.gz PWZXFIDZBGGHBG-GFCCVEGCSA-N 0 1 273.380 3.750 20 0 CHADMN Cc1cnccc1CN[C@@H]1CCOc2c(Cl)cccc21 ZINC000296543467 1127675508 /nfs/dbraw/zinc/67/55/08/1127675508.db2.gz TZZJHNDWIFVIJV-OAHLLOKOSA-N 0 1 288.778 3.657 20 0 CHADMN CCCc1ccc([C@@H](C)NCc2n[nH]c(C(C)C)n2)cc1 ZINC000296565693 1127675988 /nfs/dbraw/zinc/67/59/88/1127675988.db2.gz SMUINQRDSQLVOR-CYBMUJFWSA-N 0 1 286.423 3.731 20 0 CHADMN CCCc1ccc([C@H](C)NCc2n[nH]c(C(C)C)n2)cc1 ZINC000296565697 1127676258 /nfs/dbraw/zinc/67/62/58/1127676258.db2.gz SMUINQRDSQLVOR-ZDUSSCGKSA-N 0 1 286.423 3.731 20 0 CHADMN FC(F)(F)c1cc(CN[C@@H]2CCCc3occc32)ccn1 ZINC000296576543 1127676805 /nfs/dbraw/zinc/67/68/05/1127676805.db2.gz TZSZQFRVECUEPF-GFCCVEGCSA-N 0 1 296.292 3.861 20 0 CHADMN CC[C@H]1c2ccccc2CCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000603921884 1127682513 /nfs/dbraw/zinc/68/25/13/1127682513.db2.gz CVHACXQYWXYNJD-KRWDZBQOSA-N 0 1 297.402 3.683 20 0 CHADMN CCCc1cc(C(=O)N2CCc3ccccc3[C@@H]2CC)n[nH]1 ZINC000603922118 1127682621 /nfs/dbraw/zinc/68/26/21/1127682621.db2.gz JSAMOAKLGZXMHW-KRWDZBQOSA-N 0 1 297.402 3.512 20 0 CHADMN CCn1ccnc1[C@H](C)NCCc1cc2ccccc2o1 ZINC000296753896 1127682634 /nfs/dbraw/zinc/68/26/34/1127682634.db2.gz JWXRCTIPYHAKGW-ZDUSSCGKSA-N 0 1 283.375 3.543 20 0 CHADMN CN(Cc1cccc(Cl)c1Br)CC1CC1 ZINC000719481467 1127683831 /nfs/dbraw/zinc/68/38/31/1127683831.db2.gz GJGYAORURGJLQO-UHFFFAOYSA-N 0 1 288.616 3.944 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(Cl)c2Br)C1 ZINC000719485445 1127684031 /nfs/dbraw/zinc/68/40/31/1127684031.db2.gz UHZQTZMSJLYOJO-SECBINFHSA-N 0 1 288.616 3.944 20 0 CHADMN CC(C)n1ncnc1CN1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000296634305 1127679374 /nfs/dbraw/zinc/67/93/74/1127679374.db2.gz HXJJXVXIWDIQOR-HLLBOEOZSA-N 0 1 298.434 3.626 20 0 CHADMN CCOC(=O)C1CCC(Nc2ccc3cnccc3c2)CC1 ZINC000296667045 1127680827 /nfs/dbraw/zinc/68/08/27/1127680827.db2.gz YETCMZJDPWTXND-UHFFFAOYSA-N 0 1 298.386 3.769 20 0 CHADMN CC(C)n1nccc1CNc1ccc2cnccc2c1 ZINC000296869456 1127684943 /nfs/dbraw/zinc/68/49/43/1127684943.db2.gz NVOGYFSCECPLHX-UHFFFAOYSA-N 0 1 266.348 3.624 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nccn1CC)c1ccccc1 ZINC000297156548 1127689921 /nfs/dbraw/zinc/68/99/21/1127689921.db2.gz BDLDWUDERCXGDW-DZGCQCFKSA-N 0 1 257.381 3.705 20 0 CHADMN Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(C)C)CC2)c1 ZINC000604053827 1127691849 /nfs/dbraw/zinc/69/18/49/1127691849.db2.gz LNLFKKIQIKPBRB-MRXNPFEDSA-N 0 1 288.435 3.692 20 0 CHADMN CC(F)(F)CCCN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000297267957 1127692709 /nfs/dbraw/zinc/69/27/09/1127692709.db2.gz KMYVDDIZUQCPQF-ZDUSSCGKSA-N 0 1 297.324 3.663 20 0 CHADMN CCC[C@H]1CCC[C@H]1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000297321728 1127693962 /nfs/dbraw/zinc/69/39/62/1127693962.db2.gz ZPVMPHHKGVRMMO-QWHCGFSZSA-N 0 1 298.390 3.627 20 0 CHADMN Cn1ncc2c1CCC[C@@H]2NCc1cc(C2CC2)ccc1F ZINC000297381577 1127694951 /nfs/dbraw/zinc/69/49/51/1127694951.db2.gz RDKQURCZQHOSBF-KRWDZBQOSA-N 0 1 299.393 3.604 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H]1CCCc2ccc(C)cc21 ZINC000297409091 1127695139 /nfs/dbraw/zinc/69/51/39/1127695139.db2.gz SZOXKMACVLCKOO-RHSMWYFYSA-N 0 1 283.419 3.940 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H]1CCCc2ccc(C)cc21 ZINC000297409094 1127695695 /nfs/dbraw/zinc/69/56/95/1127695695.db2.gz SZOXKMACVLCKOO-WMLDXEAASA-N 0 1 283.419 3.940 20 0 CHADMN Cc1nnc(CN(C)[C@H]2CCC[C@H]2c2ccccc2)s1 ZINC000297482420 1127697874 /nfs/dbraw/zinc/69/78/74/1127697874.db2.gz JTGJNFKZQQSBOV-GJZGRUSLSA-N 0 1 287.432 3.615 20 0 CHADMN CCSc1cccc(CN2CC(C)(CCOC)C2)c1 ZINC000297537509 1127699527 /nfs/dbraw/zinc/69/95/27/1127699527.db2.gz ZVEGZSGBKPRPEG-UHFFFAOYSA-N 0 1 279.449 3.657 20 0 CHADMN c1csc(-c2noc(CN3CCCC4(CC4)CC3)n2)c1 ZINC000626113418 1127706341 /nfs/dbraw/zinc/70/63/41/1127706341.db2.gz RMPSSSALDPOHKN-UHFFFAOYSA-N 0 1 289.404 3.564 20 0 CHADMN CCCC[C@H](N[C@@H]1CCn2ccnc21)c1ccc(OC)cc1 ZINC000297791400 1127708004 /nfs/dbraw/zinc/70/80/04/1127708004.db2.gz PYTHQYARGJGUAA-DLBZAZTESA-N 0 1 299.418 3.858 20 0 CHADMN CCc1csc(CN2CCCC3(CC(F)C3)CC2)n1 ZINC001232475258 1127715678 /nfs/dbraw/zinc/71/56/78/1127715678.db2.gz LBHUJEDLEAROGN-UHFFFAOYSA-N 0 1 282.428 3.810 20 0 CHADMN CC(C)c1noc(CN2CCC[C@@H](C(C)(C)C)CC2)n1 ZINC000604759417 1127716341 /nfs/dbraw/zinc/71/63/41/1127716341.db2.gz DRPAICBEPRHRKA-CYBMUJFWSA-N 0 1 279.428 3.841 20 0 CHADMN CCc1ccc(CSc2nc(-c3cccnc3)n[nH]2)cc1 ZINC000604931463 1127721082 /nfs/dbraw/zinc/72/10/82/1127721082.db2.gz KSXAYJOZECWXSP-UHFFFAOYSA-N 0 1 296.399 3.721 20 0 CHADMN CC[C@H]1CCCN([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000298459100 1127724500 /nfs/dbraw/zinc/72/45/00/1127724500.db2.gz LDPIKUXWMOVHIQ-CVEARBPZSA-N 0 1 288.435 3.752 20 0 CHADMN CCc1ccc(CN2CCOc3ccccc3C2)cc1 ZINC000604997563 1127725705 /nfs/dbraw/zinc/72/57/05/1127725705.db2.gz LEXZGCCPENUDLL-UHFFFAOYSA-N 0 1 267.372 3.644 20 0 CHADMN CC(C)CCc1noc(CN2CCCC[C@@H]2C(C)C)n1 ZINC000605026433 1127726992 /nfs/dbraw/zinc/72/69/92/1127726992.db2.gz VLNXFOFUMQBCBZ-CQSZACIVSA-N 0 1 279.428 3.669 20 0 CHADMN CC(C)Oc1cccc([C@H](C)NCc2ccoc2)c1 ZINC000062103658 1127734025 /nfs/dbraw/zinc/73/40/25/1127734025.db2.gz GVIGXWXDSPILBF-ZDUSSCGKSA-N 0 1 259.349 3.918 20 0 CHADMN C[C@@H](NCc1cnc2n1CCCC2)c1ccc(Cl)s1 ZINC000367366579 1127753665 /nfs/dbraw/zinc/75/36/65/1127753665.db2.gz BCOZLELWCMJWIS-SNVBAGLBSA-N 0 1 295.839 3.785 20 0 CHADMN CC(C)[C@@H]1CN(C)CCN1C(=O)CCCC1CCCCC1 ZINC000606339618 1127760308 /nfs/dbraw/zinc/76/03/08/1127760308.db2.gz XELVNNIVDOFHLF-KRWDZBQOSA-N 0 1 294.483 3.536 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)N1C[C@H](C)OC(C)(C)C1 ZINC000606431951 1127761428 /nfs/dbraw/zinc/76/14/28/1127761428.db2.gz LFPKQWSARZYVAE-WFASDCNBSA-N 0 1 265.372 3.776 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1Cc1nc2ccccc2c(=O)[nH]1 ZINC000606433981 1127762081 /nfs/dbraw/zinc/76/20/81/1127762081.db2.gz FPFUEUWUTDHAOY-BBRMVZONSA-N 0 1 299.418 3.736 20 0 CHADMN CSCCN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000370865634 1127763182 /nfs/dbraw/zinc/76/31/82/1127763182.db2.gz WSUXOALFDOZROM-CYBMUJFWSA-N 0 1 276.405 3.718 20 0 CHADMN CC(C)C[C@@H]1COCCN1C[C@@H]1CCC2(CCCCC2)O1 ZINC000409446845 1127768513 /nfs/dbraw/zinc/76/85/13/1127768513.db2.gz QGTQUXWEHQSXSZ-SJORKVTESA-N 0 1 295.467 3.615 20 0 CHADMN Cc1ccoc1CN(C)C[C@H]1CCC2(CCCCC2)O1 ZINC000409446633 1127768869 /nfs/dbraw/zinc/76/88/69/1127768869.db2.gz MSXHXCWODXFHEW-OAHLLOKOSA-N 0 1 277.408 3.902 20 0 CHADMN C[C@H]1CN(Cc2ncc(C(C)(C)C)o2)C(C)(C)C1 ZINC000409445169 1127770895 /nfs/dbraw/zinc/77/08/95/1127770895.db2.gz BLDMLJGTDRMLFT-LLVKDONJSA-N 0 1 250.386 3.593 20 0 CHADMN CCCc1occc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000409932648 1127788188 /nfs/dbraw/zinc/78/81/88/1127788188.db2.gz MKMABRIWNXYLLZ-UHFFFAOYSA-N 0 1 297.713 3.983 20 0 CHADMN CC(C)CCc1nc(CN2C[C@@H](C)C[C@H]2C)cs1 ZINC000607192844 1127796807 /nfs/dbraw/zinc/79/68/07/1127796807.db2.gz ZLAVVBBJDXWTME-QWHCGFSZSA-N 0 1 266.454 3.962 20 0 CHADMN c1coc(CN2CCS[C@@H](c3ccccc3)C2)c1 ZINC000372399356 1127798674 /nfs/dbraw/zinc/79/86/74/1127798674.db2.gz IGGSMEBFWRKSJY-OAHLLOKOSA-N 0 1 259.374 3.570 20 0 CHADMN Cc1nn(C)cc1[C@H]1CCCN1Cc1cccc(Cl)c1 ZINC000372737890 1127810980 /nfs/dbraw/zinc/81/09/80/1127810980.db2.gz FVPNBRIYACTJOA-MRXNPFEDSA-N 0 1 289.810 3.719 20 0 CHADMN CC=C(CC)C(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 ZINC000372773411 1127812493 /nfs/dbraw/zinc/81/24/93/1127812493.db2.gz SJOYADYLYXEVBH-WLRTZDKTSA-N 0 1 283.375 3.988 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000607735552 1127820940 /nfs/dbraw/zinc/82/09/40/1127820940.db2.gz MFOFFTVRBGQHQZ-NWDGAFQWSA-N 0 1 274.339 3.711 20 0 CHADMN CCc1ccc(-c2noc(CN3CCC[C@H](C)[C@@H]3C)n2)cc1 ZINC000607740743 1127822216 /nfs/dbraw/zinc/82/22/16/1127822216.db2.gz RHASNRVOJYUFSJ-KBPBESRZSA-N 0 1 299.418 3.919 20 0 CHADMN c1cn(C2CCCC2)nc1CN1CCCC12CCC2 ZINC000373104299 1127823357 /nfs/dbraw/zinc/82/33/57/1127823357.db2.gz NJWHRDJNCIVCOC-UHFFFAOYSA-N 0 1 259.397 3.517 20 0 CHADMN CCCCCN1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000607746854 1127823737 /nfs/dbraw/zinc/82/37/37/1127823737.db2.gz VBAVOAXWOKUULZ-CJNGLKHVSA-N 0 1 265.372 3.778 20 0 CHADMN Cc1noc([C@H](C)N2CC[C@H](c3ccccc3)[C@H](C)C2)n1 ZINC000607752137 1127825916 /nfs/dbraw/zinc/82/59/16/1127825916.db2.gz JOGJOSQXZKSXGA-WWGRRREGSA-N 0 1 285.391 3.565 20 0 CHADMN FC(F)(F)CSc1nc(-c2ccc3c(c2)CCC3)n[nH]1 ZINC000607761717 1127828443 /nfs/dbraw/zinc/82/84/43/1127828443.db2.gz FVHQUIZCJGSLAM-UHFFFAOYSA-N 0 1 299.321 3.615 20 0 CHADMN CN(Cc1nc(C(F)(F)F)cs1)CC1CC=CC1 ZINC000659979336 1127832258 /nfs/dbraw/zinc/83/22/58/1127832258.db2.gz SWRUAKFRGASTSK-UHFFFAOYSA-N 0 1 276.327 3.560 20 0 CHADMN C[C@H]1CCCN1Cn1c(CCC2CCCC2)n[nH]c1=S ZINC000173530079 1127837362 /nfs/dbraw/zinc/83/73/62/1127837362.db2.gz GRNLWZREKNRXMB-LBPRGKRZSA-N 0 1 294.468 3.505 20 0 CHADMN Cc1nc([C@@H](C)N(C)Cc2cccc(Cl)c2Cl)n[nH]1 ZINC000411128978 1127841764 /nfs/dbraw/zinc/84/17/64/1127841764.db2.gz SGDALEMPYSMOAQ-MRVPVSSYSA-N 0 1 299.205 3.613 20 0 CHADMN Cc1csc([C@@H](NCc2ccc3[nH]cnc3c2)C2CC2)n1 ZINC000608062998 1127842616 /nfs/dbraw/zinc/84/26/16/1127842616.db2.gz GNSDCQZFEDMXIL-HNNXBMFYSA-N 0 1 298.415 3.569 20 0 CHADMN Cc1csc([C@@H](NCc2ccc3nc[nH]c3c2)C2CC2)n1 ZINC000608062998 1127842621 /nfs/dbraw/zinc/84/26/21/1127842621.db2.gz GNSDCQZFEDMXIL-HNNXBMFYSA-N 0 1 298.415 3.569 20 0 CHADMN Cc1nnc([C@H](C)N2CCCC3(C2)CCCCCC3)[nH]1 ZINC000411298972 1127853796 /nfs/dbraw/zinc/85/37/96/1127853796.db2.gz ZSZTTWXWKXSNQD-ZDUSSCGKSA-N 0 1 276.428 3.611 20 0 CHADMN Fc1ccc(CN2CCC(c3ccccc3)CC2)nc1 ZINC000373747393 1127859596 /nfs/dbraw/zinc/85/95/96/1127859596.db2.gz VDEVPHRJPLVPBR-UHFFFAOYSA-N 0 1 270.351 3.600 20 0 CHADMN CCc1cnc(CN(C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)s1 ZINC000659982139 1127860394 /nfs/dbraw/zinc/86/03/94/1127860394.db2.gz GGVQGHQCTBPETQ-UPJWGTAASA-N 0 1 264.438 3.574 20 0 CHADMN CC(C)COC[C@@H](NC[C@H]1CCC(C)(C)O1)c1ccco1 ZINC000411509464 1127862932 /nfs/dbraw/zinc/86/29/32/1127862932.db2.gz DBGRWYAWMNCEIZ-HUUCEWRRSA-N 0 1 295.423 3.541 20 0 CHADMN C[C@H](NCCc1cncs1)c1ncc(-c2ccccc2)o1 ZINC000411533300 1127863442 /nfs/dbraw/zinc/86/34/42/1127863442.db2.gz BEWADLXMDGXICF-LBPRGKRZSA-N 0 1 299.399 3.691 20 0 CHADMN Cc1ccc(C)c(OCCCN2CCC[C@H]2c2cc[nH]n2)c1 ZINC000411657589 1127868615 /nfs/dbraw/zinc/86/86/15/1127868615.db2.gz UPPKLPSFUHMCMZ-KRWDZBQOSA-N 0 1 299.418 3.633 20 0 CHADMN Cc1nnc([C@@H](C)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)[nH]1 ZINC000411689433 1127870273 /nfs/dbraw/zinc/87/02/73/1127870273.db2.gz FNSOQPVOVVWNTP-VDNDLQMASA-N 0 1 296.418 3.585 20 0 CHADMN C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@H](C)CO ZINC000608498217 1127870680 /nfs/dbraw/zinc/87/06/80/1127870680.db2.gz ARRWWOUMFFLUTH-VHSXEESVSA-N 0 1 276.207 3.615 20 0 CHADMN C[C@@H](CO)C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000608498215 1127870818 /nfs/dbraw/zinc/87/08/18/1127870818.db2.gz ARRWWOUMFFLUTH-NXEZZACHSA-N 0 1 276.207 3.615 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCC(OCC2CC2)CC1 ZINC000374119413 1127874151 /nfs/dbraw/zinc/87/41/51/1127874151.db2.gz HDMKWNCUBWGLSU-GFCCVEGCSA-N 0 1 295.373 3.917 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC(OCC2CC2)CC1 ZINC000374121633 1127874328 /nfs/dbraw/zinc/87/43/28/1127874328.db2.gz NSZFVMNOKSUXGU-GFCCVEGCSA-N 0 1 295.373 3.917 20 0 CHADMN Cc1cc(C)cc(OCCCN[C@@H](C)c2nccs2)c1 ZINC000411875956 1127876331 /nfs/dbraw/zinc/87/63/31/1127876331.db2.gz OXWTVTOGWIJSEI-AWEZNQCLSA-N 0 1 290.432 3.880 20 0 CHADMN Fc1cccc(CN2CCSC3(CCC3)CC2)c1F ZINC000411866492 1127876931 /nfs/dbraw/zinc/87/69/31/1127876931.db2.gz XGNLSEHTZWXDTK-UHFFFAOYSA-N 0 1 283.387 3.826 20 0 CHADMN O[C@@H]1C[C@@H](c2ccccc2)N(Cc2ccc(Cl)cc2)C1 ZINC000411950660 1127881544 /nfs/dbraw/zinc/88/15/44/1127881544.db2.gz RFEOPCTZGGYKCW-SJORKVTESA-N 0 1 287.790 3.648 20 0 CHADMN CCCCc1nc(CN[C@@H](C)[C@@](C)(OC)C2CC2)cs1 ZINC000411944569 1127881812 /nfs/dbraw/zinc/88/18/12/1127881812.db2.gz JYILRZZJFUGHKI-BLLLJJGKSA-N 0 1 296.480 3.779 20 0 CHADMN Cc1ccsc1C[N@H+](C)[C@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000516657141 1127882034 /nfs/dbraw/zinc/88/20/34/1127882034.db2.gz VLAUVFLFNTXCNP-SNVBAGLBSA-N 0 1 293.388 3.849 20 0 CHADMN CCS[C@@H]1CC[C@H](N(C)Cc2cccnc2Cl)C1 ZINC000174343225 1127890347 /nfs/dbraw/zinc/89/03/47/1127890347.db2.gz INNNJZJFFJXDSD-QWHCGFSZSA-N 0 1 284.856 3.841 20 0 CHADMN Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CC(C)(C)C[C@H]1C ZINC000412046178 1127892301 /nfs/dbraw/zinc/89/23/01/1127892301.db2.gz QOUDFQUNKAZXPF-CHWSQXEVSA-N 0 1 292.398 3.582 20 0 CHADMN C[C@H]1CC(C)(C)CN1Cc1ncccc1C(F)(F)F ZINC000412050145 1127893196 /nfs/dbraw/zinc/89/31/96/1127893196.db2.gz XMLQLESUXLDMIW-JTQLQIEISA-N 0 1 272.314 3.721 20 0 CHADMN CCCC[C@@H](C(=O)OC)N1CC[C@@H](c2ccccc2C)C1 ZINC000608990925 1127898101 /nfs/dbraw/zinc/89/81/01/1127898101.db2.gz BZVFJTZYJBCIAR-WBVHZDCISA-N 0 1 289.419 3.516 20 0 CHADMN CC[N@@H+](Cn1c(=O)oc2cc(Cl)ccc21)[C@H](C)C(C)C ZINC000064111902 1127899280 /nfs/dbraw/zinc/89/92/80/1127899280.db2.gz BLXNMNPZVHFSKR-LLVKDONJSA-N 0 1 296.798 3.572 20 0 CHADMN CC[C@@H]1CCC[C@H]1NCc1ncc(C(C)(C)C)o1 ZINC000429772738 1127904479 /nfs/dbraw/zinc/90/44/79/1127904479.db2.gz XTKZLZBHCCAZCR-VXGBXAGGSA-N 0 1 250.386 3.640 20 0 CHADMN Cn1cc2c(n1)CCC[C@@H]2N[C@H]1CC(C)(C)Cc2occc21 ZINC000374581613 1127905124 /nfs/dbraw/zinc/90/51/24/1127905124.db2.gz AZESZCIVVYQENP-HOCLYGCPSA-N 0 1 299.418 3.694 20 0 CHADMN Cc1oc([C@@H](C)[N@H+]2CC[C@@H](C)C(C)(C)C2)cc1C(=O)[O-] ZINC000517750627 1127906359 /nfs/dbraw/zinc/90/63/59/1127906359.db2.gz QHNSVNNSZWNRST-GHMZBOCLSA-N 0 1 279.380 3.715 20 0 CHADMN C[C@@H](CC(C)(C)C)C(=O)Nc1ccc(F)c(F)c1O ZINC000457303295 1127909348 /nfs/dbraw/zinc/90/93/48/1127909348.db2.gz XYBWEQIJPLPIGH-QMMMGPOBSA-N 0 1 271.307 3.681 20 0 CHADMN COc1cc(Cl)cc(F)c1CN(CC1CC1)C1CC1 ZINC001233002994 1127908776 /nfs/dbraw/zinc/90/87/76/1127908776.db2.gz SZGDGMXYPWGQHE-UHFFFAOYSA-N 0 1 283.774 3.862 20 0 CHADMN CCc1ccc2nc(-c3ccc(COC)cc3)[nH]c2c1 ZINC000535358556 1127913548 /nfs/dbraw/zinc/91/35/48/1127913548.db2.gz DLBGDPBQUBNNDS-UHFFFAOYSA-N 0 1 266.344 3.939 20 0 CHADMN C[C@H](NCc1scnc1C1CC1)c1ccsc1 ZINC000669830830 1127929523 /nfs/dbraw/zinc/92/95/23/1127929523.db2.gz NBKGZVDRDKVPDE-VIFPVBQESA-N 0 1 264.419 3.933 20 0 CHADMN CC(C)OC1CC(N[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000375087453 1127930788 /nfs/dbraw/zinc/93/07/88/1127930788.db2.gz IQHWVPHQQMCKAD-TVPLGVNVSA-N 0 1 296.414 3.717 20 0 CHADMN Cc1nc([C@H](C)Sc2ncc(C(C)C)n2C(C)C)n[nH]1 ZINC000412995157 1127936254 /nfs/dbraw/zinc/93/62/54/1127936254.db2.gz QJUDAIBFKFPMTP-JTQLQIEISA-N 0 1 293.440 3.867 20 0 CHADMN Cc1nc([C@@H](C)SCc2cc(C)ccc2C)n[nH]1 ZINC000412994067 1127936606 /nfs/dbraw/zinc/93/66/06/1127936606.db2.gz ORIXXVSPEXPOPL-LLVKDONJSA-N 0 1 261.394 3.724 20 0 CHADMN CSc1ccc(CS[C@H](C)c2n[nH]c(C)n2)cc1 ZINC000413006811 1127938570 /nfs/dbraw/zinc/93/85/70/1127938570.db2.gz QCJTZBWXHCSHLE-SECBINFHSA-N 0 1 279.434 3.829 20 0 CHADMN C[C@@H]1CCC[C@H](C)N(Cc2ccc(Br)cn2)C1 ZINC000539824500 1127941210 /nfs/dbraw/zinc/94/12/10/1127941210.db2.gz AJNAQXYVDAQYIT-NEPJUHHUSA-N 0 1 297.240 3.855 20 0 CHADMN CCc1cc(CN[C@@H]2c3cc(C)ccc3C[C@H]2C)on1 ZINC000539812308 1127941254 /nfs/dbraw/zinc/94/12/54/1127941254.db2.gz RMGWNAXRXSRFMS-PXAZEXFGSA-N 0 1 270.376 3.569 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2CCOc3c(C)cccc32)c(C)n1 ZINC000375480664 1127946141 /nfs/dbraw/zinc/94/61/41/1127946141.db2.gz GJZKHVFOYXYZTH-CXAGYDPISA-N 0 1 297.402 3.576 20 0 CHADMN COc1ccccc1CN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000539863539 1127949762 /nfs/dbraw/zinc/94/97/62/1127949762.db2.gz TUQAHCUFVLGCEP-KBXCAEBGSA-N 0 1 267.372 3.888 20 0 CHADMN CCC(C)(C)OCCN[C@H](C)c1cccc(F)c1F ZINC000308715867 1127958010 /nfs/dbraw/zinc/95/80/10/1127958010.db2.gz BDHAGCKQBXNSBH-LLVKDONJSA-N 0 1 271.351 3.821 20 0 CHADMN Cc1cccc(NC(=O)C[N@@H+]2C[C@H](C)CC(C)(C)C2)c1C ZINC000544106411 1127958208 /nfs/dbraw/zinc/95/82/08/1127958208.db2.gz JPVGODCMRUIECC-CYBMUJFWSA-N 0 1 288.435 3.610 20 0 CHADMN Cc1cccc(NC(=O)CN2C[C@H](C)CC(C)(C)C2)c1C ZINC000544106411 1127958211 /nfs/dbraw/zinc/95/82/11/1127958211.db2.gz JPVGODCMRUIECC-CYBMUJFWSA-N 0 1 288.435 3.610 20 0 CHADMN Cc1ccc(-c2nnc(CN3C[C@H](C)CC(C)(C)C3)o2)cc1 ZINC000544115742 1127959332 /nfs/dbraw/zinc/95/93/32/1127959332.db2.gz ATGQJJAOGOTRRB-CQSZACIVSA-N 0 1 299.418 3.913 20 0 CHADMN CCCCc1noc([C@H](C)N(C)C[C@H]2CC=CCC2)n1 ZINC000544116939 1127959622 /nfs/dbraw/zinc/95/96/22/1127959622.db2.gz KWZQLCCVIFLUNJ-KBPBESRZSA-N 0 1 277.412 3.761 20 0 CHADMN COc1ccc(CN(C)Cc2cc(C)ccc2F)cc1 ZINC000505765174 1127961134 /nfs/dbraw/zinc/96/11/34/1127961134.db2.gz CJSAVWGOCGGRLZ-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN Cc1ccccc1-c1nc(CN2CC[C@H](C(C)(C)C)C2)no1 ZINC000544190395 1127962872 /nfs/dbraw/zinc/96/28/72/1127962872.db2.gz NNFGWCBWJKSODO-AWEZNQCLSA-N 0 1 299.418 3.913 20 0 CHADMN COc1ccccc1[C@H](N[C@H](C)[C@@H](C)OC)c1ccccc1 ZINC000540168229 1127964663 /nfs/dbraw/zinc/96/46/63/1127964663.db2.gz GTYQXWJVVJQLPJ-SPYBWZPUSA-N 0 1 299.414 3.798 20 0 CHADMN COc1ccccc1[C@H](N[C@H](C)[C@H](C)OC)c1ccccc1 ZINC000540168231 1127964736 /nfs/dbraw/zinc/96/47/36/1127964736.db2.gz GTYQXWJVVJQLPJ-ZRGWGRIASA-N 0 1 299.414 3.798 20 0 CHADMN CC/C=C/CCN1CCc2cc(OC)c(F)cc2C1 ZINC000467450445 1127969392 /nfs/dbraw/zinc/96/93/92/1127969392.db2.gz PAAABRNWKDJEML-SNAWJCMRSA-N 0 1 263.356 3.549 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccc(C)cc1)c1ccn(C)n1 ZINC000544579408 1127977301 /nfs/dbraw/zinc/97/73/01/1127977301.db2.gz QZMGCJMYSKWEDF-UKRRQHHQSA-N 0 1 257.381 3.530 20 0 CHADMN CCN(Cc1c(Cl)cccc1N1CCCC1)C1CC1 ZINC000540506721 1127982039 /nfs/dbraw/zinc/98/20/39/1127982039.db2.gz UBLOTYCUMWWAQG-UHFFFAOYSA-N 0 1 278.827 3.925 20 0 CHADMN C[C@@H](CCc1ccccc1)CN(C)Cc1cscn1 ZINC000540506838 1127982183 /nfs/dbraw/zinc/98/21/83/1127982183.db2.gz VURFSZJAHNLMMB-AWEZNQCLSA-N 0 1 274.433 3.844 20 0 CHADMN COc1ccc(CN2CC[C@@H]2C(C)C)c(OC(F)F)c1 ZINC000540502255 1127983005 /nfs/dbraw/zinc/98/30/05/1127983005.db2.gz GRUPKPQZDBIUTO-CYBMUJFWSA-N 0 1 285.334 3.527 20 0 CHADMN c1ccc2c(c1)SC[C@@H]2NCC1=Cc2ccccc2OC1 ZINC000540600803 1127986312 /nfs/dbraw/zinc/98/63/12/1127986312.db2.gz SBVDVEONOFAOET-INIZCTEOSA-N 0 1 295.407 3.899 20 0 CHADMN CC[C@@]1(C)CCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000468124314 1127992984 /nfs/dbraw/zinc/99/29/84/1127992984.db2.gz AFOFMMTWUFCKBP-KRWDZBQOSA-N 0 1 270.376 3.964 20 0 CHADMN CC[C@]1(C)CCN([C@H](C)C(=O)Nc2ccc(C)cc2F)C1 ZINC000468148514 1127994585 /nfs/dbraw/zinc/99/45/85/1127994585.db2.gz IJMZIIPMDUIXPX-CXAGYDPISA-N 0 1 292.398 3.583 20 0 CHADMN C[C@H](NC1CC(OCc2ccccc2)C1)c1cscn1 ZINC000545207187 1128004528 /nfs/dbraw/zinc/00/45/28/1128004528.db2.gz QBGWECYPNZFXGZ-GRTSSRMGSA-N 0 1 288.416 3.542 20 0 CHADMN CCc1ncc(CN2CCS[C@H](c3ccccc3)C2)o1 ZINC000929670160 1128011594 /nfs/dbraw/zinc/01/15/94/1128011594.db2.gz QQSZMTNDBRSCKB-HNNXBMFYSA-N 0 1 288.416 3.527 20 0 CHADMN C[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1(C)C ZINC000545429382 1128014436 /nfs/dbraw/zinc/01/44/36/1128014436.db2.gz ZUTBGCPCWRTCOT-CYBMUJFWSA-N 0 1 297.402 3.585 20 0 CHADMN CCCCc1noc([C@@H](C)N2C[C@H](C)CC(C)(C)C2)n1 ZINC000541317856 1128017090 /nfs/dbraw/zinc/01/70/90/1128017090.db2.gz DRFBMRFSXROBLU-CHWSQXEVSA-N 0 1 279.428 3.841 20 0 CHADMN CSc1cccc(N(C)Cc2ccc3nc[nH]c3c2)c1 ZINC000545547749 1128020424 /nfs/dbraw/zinc/02/04/24/1128020424.db2.gz GMNNZRIRTCYWIL-UHFFFAOYSA-N 0 1 283.400 3.921 20 0 CHADMN C[C@@H]1CN(Cc2nc(-c3ccccc3)no2)CC(C)(C)C1 ZINC000541323919 1128018526 /nfs/dbraw/zinc/01/85/26/1128018526.db2.gz IGTWVOFUWNAMRJ-ZDUSSCGKSA-N 0 1 285.391 3.605 20 0 CHADMN CC(C)C[C@H]1CCCN(Cc2ccn(C(C)C)n2)C1 ZINC000468873416 1128025585 /nfs/dbraw/zinc/02/55/85/1128025585.db2.gz HXSZJWWEOLHCHT-OAHLLOKOSA-N 0 1 263.429 3.722 20 0 CHADMN CC[C@H](SC)c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000545735377 1128031577 /nfs/dbraw/zinc/03/15/77/1128031577.db2.gz SJMWNISRNJWZAQ-NSHDSACASA-N 0 1 288.376 3.735 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CC[C@H](C)C3)n[nH]2)cc1 ZINC000469942981 1128058429 /nfs/dbraw/zinc/05/84/29/1128058429.db2.gz DPFWJSIQLFJOHI-ZFWWWQNUSA-N 0 1 297.402 3.646 20 0 CHADMN C[C@@H](c1cn(-c2ccccc2)nn1)N(C)C[C@@H]1CC=CCC1 ZINC000542249651 1128059290 /nfs/dbraw/zinc/05/92/90/1128059290.db2.gz VUUIHQYVXSWMHO-JKSUJKDBSA-N 0 1 296.418 3.616 20 0 CHADMN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccccc1F ZINC000513443217 1128063908 /nfs/dbraw/zinc/06/39/08/1128063908.db2.gz MRBNYGRULAFLPI-CQSZACIVSA-N 0 1 287.378 3.897 20 0 CHADMN CCc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000542320454 1128064195 /nfs/dbraw/zinc/06/41/95/1128064195.db2.gz RIVWJVBXFKHDNC-HNNXBMFYSA-N 0 1 288.435 3.556 20 0 CHADMN CCc1nc(CSc2ccc(C(C)C)cc2)n[nH]1 ZINC000542339283 1128064407 /nfs/dbraw/zinc/06/44/07/1128064407.db2.gz HQWZGMAAMKLHJL-UHFFFAOYSA-N 0 1 261.394 3.783 20 0 CHADMN CC(C)Oc1ncccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000386743669 1128065930 /nfs/dbraw/zinc/06/59/30/1128065930.db2.gz ADVUSAURDSUJEF-AWEZNQCLSA-N 0 1 295.386 3.591 20 0 CHADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)CCCC(C)(C)C ZINC000470318436 1128068571 /nfs/dbraw/zinc/06/85/71/1128068571.db2.gz QJIQBSQUPVSFFE-UHFFFAOYSA-N 0 1 293.455 3.882 20 0 CHADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)CCC1CCCC1 ZINC000470317591 1128068775 /nfs/dbraw/zinc/06/87/75/1128068775.db2.gz NCXWVCXDHPQURF-UHFFFAOYSA-N 0 1 291.439 3.636 20 0 CHADMN C[C@H](CC(C)(C)C)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000470326277 1128068842 /nfs/dbraw/zinc/06/88/42/1128068842.db2.gz DGTNODTUPLZULK-GFCCVEGCSA-N 0 1 293.455 3.738 20 0 CHADMN CCN(Cc1cccs1)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000172586491 1128072163 /nfs/dbraw/zinc/07/21/63/1128072163.db2.gz DWYDWZRPXHKSBY-CQSZACIVSA-N 0 1 296.480 3.604 20 0 CHADMN COc1cccc(Cl)c1C[N@H+]1CCCC12CCC2 ZINC000669935039 1128070888 /nfs/dbraw/zinc/07/08/88/1128070888.db2.gz BDRMXPUCCTYMNP-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN CC[C@H]1CN(Cc2cccc(C(F)F)c2)CCS1 ZINC000470779144 1128077066 /nfs/dbraw/zinc/07/70/66/1128077066.db2.gz KGHCEBPTHJGOEJ-ZDUSSCGKSA-N 0 1 271.376 3.952 20 0 CHADMN CCc1ccc(CC)c(NC(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000470547036 1128073453 /nfs/dbraw/zinc/07/34/53/1128073453.db2.gz BPJLGLAAKHOZRW-OKILXGFUSA-N 0 1 288.435 3.623 20 0 CHADMN C[C@H](N[C@@H](C)c1ccsc1)C(=O)c1c[nH]c2ncccc12 ZINC000669937517 1128075123 /nfs/dbraw/zinc/07/51/23/1128075123.db2.gz JURKIZZLYIWPFW-QWRGUYRKSA-N 0 1 299.399 3.546 20 0 CHADMN COC(=O)c1cccc(CN2C[C@@H](C)[C@H]2c2ccccc2)c1 ZINC000471025254 1128085950 /nfs/dbraw/zinc/08/59/50/1128085950.db2.gz KFWSPNQKQDDTIZ-KDOFPFPSSA-N 0 1 295.382 3.666 20 0 CHADMN CC(C)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000924085829 1128089666 /nfs/dbraw/zinc/08/96/66/1128089666.db2.gz UKLKVWCMCFJNKC-ZDUSSCGKSA-N 0 1 293.317 3.560 20 0 CHADMN COc1ccc(CN[C@@H]2CCc3c2nccc3Cl)cc1 ZINC000924531533 1128102065 /nfs/dbraw/zinc/10/20/65/1128102065.db2.gz LGCMXMCSZFGSQO-OAHLLOKOSA-N 0 1 288.778 3.521 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C=CC1CCCCC1 ZINC000492495462 1128099418 /nfs/dbraw/zinc/09/94/18/1128099418.db2.gz WYUQXPFNVYECBF-FPLPWBNLSA-N 0 1 283.322 3.731 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C=CC1CCCCC1 ZINC000492495461 1128099459 /nfs/dbraw/zinc/09/94/59/1128099459.db2.gz WYUQXPFNVYECBF-BQYQJAHWSA-N 0 1 283.322 3.731 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1C[C@@H](C)CC[C@@H]1C ZINC000174470597 1128102290 /nfs/dbraw/zinc/10/22/90/1128102290.db2.gz SDXZHXYDDIYHTR-GJZGRUSLSA-N 0 1 288.435 3.869 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc2c1OCO2)c1ccccc1 ZINC000924543156 1128102778 /nfs/dbraw/zinc/10/27/78/1128102778.db2.gz QAMCONGSLHVXEQ-CHWSQXEVSA-N 0 1 269.344 3.827 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H]2CCCc3ccccc32)c1 ZINC000924534448 1128102839 /nfs/dbraw/zinc/10/28/39/1128102839.db2.gz KWYGSKIGBGNOLA-SUMWQHHRSA-N 0 1 282.387 3.818 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccn1)c1ccc(C(C)(C)O)cc1 ZINC000924544223 1128103633 /nfs/dbraw/zinc/10/36/33/1128103633.db2.gz VBTCIOKMGHBPDY-KBPBESRZSA-N 0 1 284.403 3.721 20 0 CHADMN C[C@@H](NCc1ccccc1F)c1ccc(C(C)(C)O)cc1 ZINC000924553031 1128104610 /nfs/dbraw/zinc/10/46/10/1128104610.db2.gz QJOYZCHMDKVDHM-CYBMUJFWSA-N 0 1 287.378 3.904 20 0 CHADMN COc1ccnc([C@@H](C)N[C@H](C)c2cccs2)c1 ZINC000924549080 1128104798 /nfs/dbraw/zinc/10/47/98/1128104798.db2.gz QASSVSSGDFPNFX-GHMZBOCLSA-N 0 1 262.378 3.564 20 0 CHADMN Cc1cc(CN[C@H]2CCc3c2nccc3Cl)ccc1F ZINC000924593750 1128106253 /nfs/dbraw/zinc/10/62/53/1128106253.db2.gz KSOIOJHCNKTBRH-HNNXBMFYSA-N 0 1 290.769 3.960 20 0 CHADMN C[C@H](Cc1ccco1)N[C@@H]1COCc2cccc(Cl)c21 ZINC000924608576 1128107316 /nfs/dbraw/zinc/10/73/16/1128107316.db2.gz GIGYMQCMHSSZRT-IAQYHMDHSA-N 0 1 291.778 3.725 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2occc21)c1cccc(OC)n1 ZINC000924643141 1128108995 /nfs/dbraw/zinc/10/89/95/1128108995.db2.gz IDTUMKJJWJCICT-ZIAGYGMSSA-N 0 1 286.375 3.802 20 0 CHADMN COc1ccnc([C@@H](C)N[C@@H](C)c2ccc(C)cc2)c1 ZINC000924715442 1128110538 /nfs/dbraw/zinc/11/05/38/1128110538.db2.gz VBPXDSHROYFTQB-UONOGXRCSA-N 0 1 270.376 3.810 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1ccnnc1 ZINC000924771183 1128112061 /nfs/dbraw/zinc/11/20/61/1128112061.db2.gz UTIOVSBOOIGFLF-NXEZZACHSA-N 0 1 279.746 3.681 20 0 CHADMN COC1(OC)CC[C@@H]1N[C@@H](C)c1oc2ccccc2c1C ZINC000924771969 1128112407 /nfs/dbraw/zinc/11/24/07/1128112407.db2.gz DLPKXYFLXIGPAS-WFASDCNBSA-N 0 1 289.375 3.543 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2NCCc1ccc(Cl)s1 ZINC000924819175 1128114092 /nfs/dbraw/zinc/11/40/92/1128114092.db2.gz DNUWWZRJZTYTTG-LLVKDONJSA-N 0 1 296.823 3.908 20 0 CHADMN Oc1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1F ZINC000925112272 1128122129 /nfs/dbraw/zinc/12/21/29/1128122129.db2.gz LKYDXIUIEIVPGV-QGZVFWFLSA-N 0 1 286.350 3.557 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccnn1C1CCC1)c1ccncc1 ZINC000925131176 1128122688 /nfs/dbraw/zinc/12/26/88/1128122688.db2.gz RPVHQUJVCVGFEB-XJKSGUPXSA-N 0 1 284.407 3.805 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cc(O)cc(F)c1)c1ccncc1 ZINC000925132837 1128122890 /nfs/dbraw/zinc/12/28/90/1128122890.db2.gz YWMIVFHTDGDZGE-MEDUHNTESA-N 0 1 274.339 3.728 20 0 CHADMN CC[C@H](N[C@H](C)c1cc(O)cc(F)c1)c1ccncc1 ZINC000925132836 1128122999 /nfs/dbraw/zinc/12/29/99/1128122999.db2.gz YWMIVFHTDGDZGE-BZNIZROVSA-N 0 1 274.339 3.728 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](C)c1ccnn1C1CCC1 ZINC000925259339 1128126895 /nfs/dbraw/zinc/12/68/95/1128126895.db2.gz IIYSHYQYLFIIGN-AWEZNQCLSA-N 0 1 299.418 3.776 20 0 CHADMN FCc1ccc(CN2CCOc3ccccc3C2)cc1 ZINC000777559338 1128128035 /nfs/dbraw/zinc/12/80/35/1128128035.db2.gz BGMBGTULWWPAQA-UHFFFAOYSA-N 0 1 271.335 3.551 20 0 CHADMN C[C@H](NC1CCC1)c1ncc(C(F)(F)F)cc1Cl ZINC000925375988 1128128806 /nfs/dbraw/zinc/12/88/06/1128128806.db2.gz HMYOTKHKPGZVCF-ZETCQYMHSA-N 0 1 278.705 3.957 20 0 CHADMN CC(C)c1nc([C@@H](C)NC2CC3(C2)CO[C@H](C)C3)cs1 ZINC000925447390 1128129416 /nfs/dbraw/zinc/12/94/16/1128129416.db2.gz XCUXHNHWKJLZHP-LFOFOYIVSA-N 0 1 294.464 3.875 20 0 CHADMN CC[C@@H](O)CCCN[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000925459784 1128130007 /nfs/dbraw/zinc/13/00/07/1128130007.db2.gz OQAWNZMLBGFOGU-MJGOQNOKSA-N 0 1 298.430 3.620 20 0 CHADMN Cc1cc(C)cc(C[C@H](C)N[C@@H](C)c2ncco2)c1 ZINC000925472341 1128130153 /nfs/dbraw/zinc/13/01/53/1128130153.db2.gz SAJNMLCFPUOQGG-KBPBESRZSA-N 0 1 258.365 3.573 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1C[C@H]1C1CCCCC1 ZINC000925463896 1128130168 /nfs/dbraw/zinc/13/01/68/1128130168.db2.gz BDUSNIWEPOPGBY-KKUMJFAQSA-N 0 1 274.408 3.919 20 0 CHADMN FCCCN[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000925556404 1128131685 /nfs/dbraw/zinc/13/16/85/1128131685.db2.gz KJMFVZDCEOKKMB-OAHLLOKOSA-N 0 1 278.758 3.774 20 0 CHADMN c1sc(CN[C@H]2CCOC23CCCCC3)nc1C1CC1 ZINC000925546279 1128131743 /nfs/dbraw/zinc/13/17/43/1128131743.db2.gz ITNASAAACKHCOH-AWEZNQCLSA-N 0 1 292.448 3.602 20 0 CHADMN C[C@@H](CSC(C)(C)C)Nc1cnn(-c2ccncc2)c1 ZINC000777567111 1128133850 /nfs/dbraw/zinc/13/38/50/1128133850.db2.gz DGGHJVSIDQJPLI-LBPRGKRZSA-N 0 1 290.436 3.599 20 0 CHADMN Cc1ccc([C@@H](C)N2CCOc3ccc(N)cc3C2)s1 ZINC000925748740 1128140141 /nfs/dbraw/zinc/14/01/41/1128140141.db2.gz CEAGEIZYYWFVNX-GFCCVEGCSA-N 0 1 288.416 3.594 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](N[C@H](C)c1cnnn1C)CCC2 ZINC000925656376 1128135827 /nfs/dbraw/zinc/13/58/27/1128135827.db2.gz ZRXIPCGNXUNVNB-CXAGYDPISA-N 0 1 298.434 3.667 20 0 CHADMN Cc1cccc(C2(N[C@@H](C)c3cnccn3)CCCC2)c1 ZINC000777570648 1128137574 /nfs/dbraw/zinc/13/75/74/1128137574.db2.gz PCDNLBVFAJOKFU-HNNXBMFYSA-N 0 1 281.403 3.905 20 0 CHADMN FC1(F)CC[C@H](N[C@H]2COCc3cccc(Cl)c32)C1 ZINC000925929076 1128146562 /nfs/dbraw/zinc/14/65/62/1128146562.db2.gz JCQQJGKKYVSRHB-JQWIXIFHSA-N 0 1 287.737 3.689 20 0 CHADMN Cc1nccc(N2CCCc3ccccc3C2)c1Cl ZINC000494003820 1128153593 /nfs/dbraw/zinc/15/35/93/1128153593.db2.gz MOWGYZDALKFYKT-UHFFFAOYSA-N 0 1 272.779 3.996 20 0 CHADMN C[C@@H]1CCN(Cc2cc(F)ccc2Cl)CCS1 ZINC000494098073 1128155424 /nfs/dbraw/zinc/15/54/24/1128155424.db2.gz KTRCIOOBRVDABT-SNVBAGLBSA-N 0 1 273.804 3.807 20 0 CHADMN COc1ccnc([C@@H](C)NCc2ccc(Cl)c(C)c2)c1 ZINC000926160603 1128157537 /nfs/dbraw/zinc/15/75/37/1128157537.db2.gz PZLCANIOOVYDRT-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@@H]1C[C@@H]1CN[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000542475120 1128157822 /nfs/dbraw/zinc/15/78/22/1128157822.db2.gz QITSYOSXIRISMB-CJBNDPTMSA-N 0 1 288.341 3.695 20 0 CHADMN Cc1cccc2c1[C@@H](NCc1nn(C)c3ccccc13)CC2 ZINC000926170501 1128158370 /nfs/dbraw/zinc/15/83/70/1128158370.db2.gz KIUVNWFEUCBIHW-INIZCTEOSA-N 0 1 291.398 3.659 20 0 CHADMN C[C@@H]1C[C@H](N[C@H]2c3ccccc3CCC[C@H]2C)c2ncnn21 ZINC000926178582 1128159050 /nfs/dbraw/zinc/15/90/50/1128159050.db2.gz QNILRDZAAKSQPM-UTJXIGIESA-N 0 1 296.418 3.587 20 0 CHADMN CCC[C@@H](NC[C@H]1CCC=CO1)c1ncccc1Cl ZINC000926230652 1128161768 /nfs/dbraw/zinc/16/17/68/1128161768.db2.gz GIYZFGCKISLYFU-TZMCWYRMSA-N 0 1 280.799 3.859 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN[C@H](C)c1ccnnc1 ZINC000926246923 1128163113 /nfs/dbraw/zinc/16/31/13/1128163113.db2.gz RAAPDGMZSAPYAA-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN C[C@@H](NCc1ccc(C(C)(C)C)s1)c1ccnnc1 ZINC000926825633 1128197229 /nfs/dbraw/zinc/19/72/29/1128197229.db2.gz NYEAGFOUYJLXJH-LLVKDONJSA-N 0 1 275.421 3.686 20 0 CHADMN C[C@H](NCc1ccc(C2CCC2)cc1)c1cn(C)cn1 ZINC000926278472 1128164420 /nfs/dbraw/zinc/16/44/20/1128164420.db2.gz AMBZHZHHBNHGOK-ZDUSSCGKSA-N 0 1 269.392 3.538 20 0 CHADMN Cc1ccc([C@H](NC2CC(F)(F)C2)c2cccnc2)cc1 ZINC000926282674 1128165278 /nfs/dbraw/zinc/16/52/78/1128165278.db2.gz FVBWUVVBGQYWPK-INIZCTEOSA-N 0 1 288.341 3.867 20 0 CHADMN C[C@H](c1cccs1)[N@@H+](C)CCOc1ccccc1F ZINC000053428192 1128165718 /nfs/dbraw/zinc/16/57/18/1128165718.db2.gz ZRUNGJIVXXPWAT-GFCCVEGCSA-N 0 1 279.380 3.959 20 0 CHADMN C[C@@H](NCc1cc(COC(C)(C)C)on1)C(C)(C)C ZINC000186822708 1128165762 /nfs/dbraw/zinc/16/57/62/1128165762.db2.gz JXBNDHSFDUBNJC-LLVKDONJSA-N 0 1 268.401 3.514 20 0 CHADMN C[C@H](NCc1cc(COC(C)(C)C)on1)C(C)(C)C ZINC000186822693 1128165874 /nfs/dbraw/zinc/16/58/74/1128165874.db2.gz JXBNDHSFDUBNJC-NSHDSACASA-N 0 1 268.401 3.514 20 0 CHADMN CCOc1ccc(O[C@@H]2CCCN(CC)C2)c(Cl)c1 ZINC001234316847 1128166355 /nfs/dbraw/zinc/16/63/55/1128166355.db2.gz MRWKLMJZRLOJNC-CYBMUJFWSA-N 0 1 283.799 3.602 20 0 CHADMN c1cc(CN2CCCCC[C@H]2c2ccncc2)sn1 ZINC000637829149 1128197498 /nfs/dbraw/zinc/19/74/98/1128197498.db2.gz IYDNZVBQLAOPLR-HNNXBMFYSA-N 0 1 273.405 3.655 20 0 CHADMN C[C@H](N[C@H]1CC[C@H](c2cccc(F)c2)C1)c1ncco1 ZINC000926340508 1128167989 /nfs/dbraw/zinc/16/79/89/1128167989.db2.gz JJWZYUCRKCSEMS-WHOFXGATSA-N 0 1 274.339 3.801 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)[C@H](C)c1cnccn1 ZINC000494274542 1128168180 /nfs/dbraw/zinc/16/81/80/1128168180.db2.gz QXHGIHNGOXJDSL-ATGUSINASA-N 0 1 267.376 3.573 20 0 CHADMN COc1cc(C)nc(C[N@@H+](C)C/C(C)=C\c2ccccc2)c1 ZINC000494269016 1128168928 /nfs/dbraw/zinc/16/89/28/1128168928.db2.gz UHYIGWKMQPJXEE-GDNBJRDFSA-N 0 1 296.414 3.934 20 0 CHADMN COc1cc(C)nc(CN(C)C/C(C)=C\c2ccccc2)c1 ZINC000494269016 1128168931 /nfs/dbraw/zinc/16/89/31/1128168931.db2.gz UHYIGWKMQPJXEE-GDNBJRDFSA-N 0 1 296.414 3.934 20 0 CHADMN Cc1nc2ccc(CN[C@@H](C)c3ccccn3)cc2s1 ZINC000494323496 1128169916 /nfs/dbraw/zinc/16/99/16/1128169916.db2.gz SXTVTDUMGQZUGU-NSHDSACASA-N 0 1 283.400 3.851 20 0 CHADMN COc1ccnc([C@@H](C)N[C@@H](C)c2ccsc2)c1 ZINC000926369064 1128170282 /nfs/dbraw/zinc/17/02/82/1128170282.db2.gz ITONANXANFHTFK-WDEREUQCSA-N 0 1 262.378 3.564 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc2c1OCO2)c1ccsc1 ZINC000926368817 1128170501 /nfs/dbraw/zinc/17/05/01/1128170501.db2.gz FIVUCWMMCVFTKK-GHMZBOCLSA-N 0 1 275.373 3.889 20 0 CHADMN CCCc1csc(CNCCO[C@H]2CCCC[C@H]2C)n1 ZINC000494368044 1128170806 /nfs/dbraw/zinc/17/08/06/1128170806.db2.gz KEWSSHHYAORBPR-HIFRSBDPSA-N 0 1 296.480 3.781 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1cscc1C ZINC000494501137 1128175685 /nfs/dbraw/zinc/17/56/85/1128175685.db2.gz BWTCZPIHPWPVFC-GFCCVEGCSA-N 0 1 260.406 3.865 20 0 CHADMN Cc1cscc1CN[C@H](C)c1ccc(Cl)cn1 ZINC000494527946 1128177493 /nfs/dbraw/zinc/17/74/93/1128177493.db2.gz RKXVLVXKCABKHV-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2NC[C@]1(C)CC1(Cl)Cl ZINC000926522201 1128178738 /nfs/dbraw/zinc/17/87/38/1128178738.db2.gz XQWLBPADRHWEAK-CABZTGNLSA-N 0 1 289.206 3.534 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H]1CCc2cccc(C)c21 ZINC000926530703 1128179074 /nfs/dbraw/zinc/17/90/74/1128179074.db2.gz CBJALVJHAQLVDJ-ZFWWWQNUSA-N 0 1 269.392 3.550 20 0 CHADMN Cc1cc(C)c(CN[C@@H](c2ccccn2)C2CCC2)cn1 ZINC000926549107 1128180124 /nfs/dbraw/zinc/18/01/24/1128180124.db2.gz DSBCXAMSUNMNGQ-GOSISDBHSA-N 0 1 281.403 3.724 20 0 CHADMN C[C@H](NC1(c2ccccc2Cl)CC1)c1cc[nH]c(=O)c1 ZINC000926629163 1128184759 /nfs/dbraw/zinc/18/47/59/1128184759.db2.gz YWHCJIVJWDOVRX-NSHDSACASA-N 0 1 288.778 3.781 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2N[C@@H]1C[C@H]1c1ccccc1C ZINC000926647433 1128185794 /nfs/dbraw/zinc/18/57/94/1128185794.db2.gz BYDIUWZPUNIYQJ-ARFHVFGLSA-N 0 1 282.387 3.815 20 0 CHADMN O[C@H]1CN(Cc2sc3ccccc3c2Cl)CC12CC2 ZINC000494683014 1128186221 /nfs/dbraw/zinc/18/62/21/1128186221.db2.gz CCVFLYDGRHTTDK-ZDUSSCGKSA-N 0 1 293.819 3.511 20 0 CHADMN C[C@@H](NCC1(c2ccccc2F)CCC1)c1ncco1 ZINC000926646253 1128186291 /nfs/dbraw/zinc/18/62/91/1128186291.db2.gz WDEBGHJVRLOZMZ-GFCCVEGCSA-N 0 1 274.339 3.586 20 0 CHADMN COc1cc([C@@H](C)N[C@H]2c3cc(C)ccc3C[C@@H]2C)on1 ZINC000926714003 1128190071 /nfs/dbraw/zinc/19/00/71/1128190071.db2.gz JSLFXZYUFLCGHV-XWCIJXRUSA-N 0 1 286.375 3.576 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnc(C)s1)c1cccc(OC)n1 ZINC000926787017 1128194392 /nfs/dbraw/zinc/19/43/92/1128194392.db2.gz RLPNFEDZINWYJI-ZYHUDNBSSA-N 0 1 291.420 3.657 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2ccnn2C2CCC2)s1 ZINC000926788050 1128194449 /nfs/dbraw/zinc/19/44/49/1128194449.db2.gz YWQKMMRBZZTDSD-GHMZBOCLSA-N 0 1 290.436 3.785 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cc3ccccc3[nH]2)o1 ZINC000926789899 1128195031 /nfs/dbraw/zinc/19/50/31/1128195031.db2.gz WXXKLWWMHISMDJ-LBPRGKRZSA-N 0 1 254.333 3.920 20 0 CHADMN CC(C)=C1CC[C@@H](C)C[C@H]1NCc1nn(C)cc1C(F)F ZINC000926805270 1128195806 /nfs/dbraw/zinc/19/58/06/1128195806.db2.gz POSOHPKWVDNXCA-BXUZGUMPSA-N 0 1 297.393 3.972 20 0 CHADMN Cc1oc2ccccc2c1[C@H](C)N[C@@H](C)c1ccnn1C ZINC000926814259 1128196353 /nfs/dbraw/zinc/19/63/53/1128196353.db2.gz VTLPPZXHAKNZIM-RYUDHWBXSA-N 0 1 283.375 3.887 20 0 CHADMN CCCC[C@H](COC)Nc1ccc(CN(C)C)c(F)c1 ZINC000777700160 1128247447 /nfs/dbraw/zinc/24/74/47/1128247447.db2.gz JSDOZLGYKFMOSU-OAHLLOKOSA-N 0 1 282.403 3.504 20 0 CHADMN Cc1ccncc1[C@@H](C)Nc1ccc(CN(C)C)c(F)c1 ZINC000777699264 1128247621 /nfs/dbraw/zinc/24/76/21/1128247621.db2.gz AURVHJSSJTZGAY-CYBMUJFWSA-N 0 1 287.382 3.764 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1ccc(CF)cc1 ZINC000777712786 1128253450 /nfs/dbraw/zinc/25/34/50/1128253450.db2.gz DVWFDETZRRNZES-CYBMUJFWSA-N 0 1 258.340 3.744 20 0 CHADMN CCN(Cc1cccs1)[C@H](C)c1cnc(C)nc1C ZINC000637872692 1128256965 /nfs/dbraw/zinc/25/69/65/1128256965.db2.gz RQKXUDPESUTQHP-GFCCVEGCSA-N 0 1 275.421 3.738 20 0 CHADMN FC1(F)CC[C@H](c2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000350077114 1128258528 /nfs/dbraw/zinc/25/85/28/1128258528.db2.gz OTGILRLDLWISSJ-VIFPVBQESA-N 0 1 290.273 3.516 20 0 CHADMN OCCCCCCSc1nnc(CCC2CCCC2)[nH]1 ZINC000176587621 1128259359 /nfs/dbraw/zinc/25/93/59/1128259359.db2.gz ZKDUDKABLFICSZ-UHFFFAOYSA-N 0 1 297.468 3.572 20 0 CHADMN OCCCCCCSc1nc(CCC2CCCC2)n[nH]1 ZINC000176587621 1128259361 /nfs/dbraw/zinc/25/93/61/1128259361.db2.gz ZKDUDKABLFICSZ-UHFFFAOYSA-N 0 1 297.468 3.572 20 0 CHADMN CN(Cc1ccco1)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929138616 1128260037 /nfs/dbraw/zinc/26/00/37/1128260037.db2.gz NGYIKFPMEKZVIZ-HUUCEWRRSA-N 0 1 277.314 3.760 20 0 CHADMN CCc1ncc(CN2CCC[C@@H]2c2ccc(OC)cc2)o1 ZINC000929217816 1128264668 /nfs/dbraw/zinc/26/46/68/1128264668.db2.gz FGPZIWWPVDZJST-MRXNPFEDSA-N 0 1 286.375 3.583 20 0 CHADMN C[C@@H](N(C)Cc1coc(C(C)(C)C)n1)C(C)(C)C ZINC000929250498 1128265357 /nfs/dbraw/zinc/26/53/57/1128265357.db2.gz SIIXSQIQTGAIPH-LLVKDONJSA-N 0 1 252.402 3.839 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)N[C@H](C)c1cncnc1C ZINC000926899756 1128201141 /nfs/dbraw/zinc/20/11/41/1128201141.db2.gz ZIHSARLTZODUJM-QWHCGFSZSA-N 0 1 273.355 3.644 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2nccnc2C)cc1C ZINC000926902813 1128201982 /nfs/dbraw/zinc/20/19/82/1128201982.db2.gz LOQRHMLBDXIUDA-JSGCOSHPSA-N 0 1 285.391 3.514 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccc2c(c1)C[C@@H](C)O2 ZINC000926917481 1128202743 /nfs/dbraw/zinc/20/27/43/1128202743.db2.gz BFGLTVMSPJCHOI-ZIAGYGMSSA-N 0 1 296.414 3.818 20 0 CHADMN COc1ccc2ccccc2c1CCN[C@H](C)c1ncco1 ZINC000926911989 1128202798 /nfs/dbraw/zinc/20/27/98/1128202798.db2.gz RDKJGHMJLKURCZ-CYBMUJFWSA-N 0 1 296.370 3.730 20 0 CHADMN Cc1cnc(CN[C@H]2CCC[C@@H](c3ccccc3)C2)o1 ZINC000683109410 1128203075 /nfs/dbraw/zinc/20/30/75/1128203075.db2.gz DTIIOEYNPMVCFZ-CVEARBPZSA-N 0 1 270.376 3.799 20 0 CHADMN CCCc1csc(CNCC2(OC)CCCCC2)n1 ZINC000494848769 1128206456 /nfs/dbraw/zinc/20/64/56/1128206456.db2.gz OOGCTBPRAJUBBL-UHFFFAOYSA-N 0 1 282.453 3.535 20 0 CHADMN Fc1ccc(-c2cnc(CNC3(C4CC4)CC3)o2)cc1 ZINC000542521327 1128207771 /nfs/dbraw/zinc/20/77/71/1128207771.db2.gz KVZKCZGEWGFLDA-UHFFFAOYSA-N 0 1 272.323 3.513 20 0 CHADMN C[C@@]1(CN[C@H](c2ccccc2)c2ccccn2)CCCCO1 ZINC000927023123 1128209061 /nfs/dbraw/zinc/20/90/61/1128209061.db2.gz UJDVOJODQZJVQB-MOPGFXCFSA-N 0 1 296.414 3.720 20 0 CHADMN CC(C)n1ccn(CN(C)[C@H](C)C(C)(C)C)c1=S ZINC000914568134 1128211574 /nfs/dbraw/zinc/21/15/74/1128211574.db2.gz AYRXZFRUMRFIIG-GFCCVEGCSA-N 0 1 269.458 3.924 20 0 CHADMN Oc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3cccnc31)CCC2 ZINC000927060980 1128212303 /nfs/dbraw/zinc/21/23/03/1128212303.db2.gz HZWPFYXGGDZZTB-ZWKOTPCHSA-N 0 1 294.398 3.832 20 0 CHADMN c1cnc2c(c1)CCC[C@H]2N[C@H]1CCCc2cccnc21 ZINC000927061757 1128213261 /nfs/dbraw/zinc/21/32/61/1128213261.db2.gz SDDPTUZEUJMPTA-IYBDPMFKSA-N 0 1 279.387 3.521 20 0 CHADMN C[C@H](N[C@H]1CCCc2cccnc21)c1ccc2c(c1)CCO2 ZINC000927062465 1128213359 /nfs/dbraw/zinc/21/33/59/1128213359.db2.gz HFRWXCNWMJNKPQ-GUYCJALGSA-N 0 1 294.398 3.745 20 0 CHADMN C[C@H](N[C@H]1CCCc2cccnc21)c1ccnc(Cl)c1 ZINC000927062926 1128213626 /nfs/dbraw/zinc/21/36/26/1128213626.db2.gz PQEZGZLWASKSTP-FZMZJTMJSA-N 0 1 287.794 3.858 20 0 CHADMN C[C@H](Cc1cccc(F)c1)N1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001168474435 1128214179 /nfs/dbraw/zinc/21/41/79/1128214179.db2.gz LLODNKNBRWSDIE-XOKHGSTOSA-N 0 1 289.394 3.590 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1cc(F)cc(F)c1)c1cnn(C)c1 ZINC000927064966 1128214418 /nfs/dbraw/zinc/21/44/18/1128214418.db2.gz BUAVWQPIIJRLTL-ZBEGNZNMSA-N 0 1 293.361 3.746 20 0 CHADMN c1cncc([C@H](NCc2cccc3c2OCC3)C2CCC2)c1 ZINC000927089748 1128216217 /nfs/dbraw/zinc/21/62/17/1128216217.db2.gz DFZLEGXZDPPTCK-GOSISDBHSA-N 0 1 294.398 3.648 20 0 CHADMN C(=C/c1ccncc1)\CN1CCC[C@H]1c1ccco1 ZINC000494981899 1128219347 /nfs/dbraw/zinc/21/93/47/1128219347.db2.gz UOKUACLGIFVRJB-AWXVTKJVSA-N 0 1 254.333 3.525 20 0 CHADMN CCCc1noc(CN[C@@H](C)[C@@H](C)C2CCCCC2)n1 ZINC000542530575 1128219976 /nfs/dbraw/zinc/21/99/76/1128219976.db2.gz FSYPEODVSDNPHC-OLZOCXBDSA-N 0 1 279.428 3.717 20 0 CHADMN CCOc1ccc(CN2CCS[C@H](C)[C@H]2C)cc1F ZINC000494986553 1128220228 /nfs/dbraw/zinc/22/02/28/1128220228.db2.gz QKEITYRQLVQCGO-VXGBXAGGSA-N 0 1 283.412 3.550 20 0 CHADMN CCc1onc(C)c1CN[C@@H](C)c1ccc(F)cc1C ZINC000927134357 1128221641 /nfs/dbraw/zinc/22/16/41/1128221641.db2.gz IBZYVTYEMINDFN-NSHDSACASA-N 0 1 276.355 3.844 20 0 CHADMN CCc1onc(C)c1CN[C@H]1CCCOc2ccccc21 ZINC000927139600 1128221691 /nfs/dbraw/zinc/22/16/91/1128221691.db2.gz MFOYKWCUQZYDJV-HNNXBMFYSA-N 0 1 286.375 3.549 20 0 CHADMN CCOc1ccc(CN(C)Cc2cccc(F)c2)cc1F ZINC000495062584 1128227482 /nfs/dbraw/zinc/22/74/82/1128227482.db2.gz VUSYDOMAPXUKLZ-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)C/C=C\c1ccncc1 ZINC000495078976 1128229210 /nfs/dbraw/zinc/22/92/10/1128229210.db2.gz LUMSFUGZBGNZLR-GXMNPTEKSA-N 0 1 270.351 3.927 20 0 CHADMN CN(CCC[C@H]1CCO1)Cc1cccc(Cl)c1Cl ZINC000637853403 1128230739 /nfs/dbraw/zinc/23/07/39/1128230739.db2.gz UNGJXVWWGQAXNO-LBPRGKRZSA-N 0 1 288.218 3.994 20 0 CHADMN c1csc(-c2noc([C@@H]3CC[C@H]4CCCC[C@H]4N3)n2)c1 ZINC000250212538 1128233445 /nfs/dbraw/zinc/23/34/45/1128233445.db2.gz MQADYHOIVYQWTP-UTUOFQBUSA-N 0 1 289.404 3.781 20 0 CHADMN CN(Cc1ccco1)Cc1ccc(C(F)(F)F)cc1 ZINC000053419684 1128233533 /nfs/dbraw/zinc/23/35/33/1128233533.db2.gz DOIAOGFDYMCOKF-UHFFFAOYSA-N 0 1 269.266 3.930 20 0 CHADMN CCC[C@H](C)c1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000761834178 1128241713 /nfs/dbraw/zinc/24/17/13/1128241713.db2.gz OBOHXQQDNUUECH-VIFPVBQESA-N 0 1 272.308 3.623 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cn2cccnc2=S)cc1 ZINC000914782195 1128242800 /nfs/dbraw/zinc/24/28/00/1128242800.db2.gz ZRMSRBIIZPYMJN-OAHLLOKOSA-N 0 1 285.416 3.716 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cn2cccnc2=S)cc1 ZINC000914782194 1128243295 /nfs/dbraw/zinc/24/32/95/1128243295.db2.gz ZRMSRBIIZPYMJN-HNNXBMFYSA-N 0 1 285.416 3.716 20 0 CHADMN Cc1nc(C)c(CN(Cc2ccc(F)cc2)C(C)C)[nH]1 ZINC000929378351 1128272039 /nfs/dbraw/zinc/27/20/39/1128272039.db2.gz GEPFFJWASSDMGD-UHFFFAOYSA-N 0 1 275.371 3.576 20 0 CHADMN C[C@H](c1ncccn1)N1CCC2(CCCCC2)CC1 ZINC000929482779 1128275434 /nfs/dbraw/zinc/27/54/34/1128275434.db2.gz RRLNDCYCTHDYHV-CQSZACIVSA-N 0 1 259.397 3.584 20 0 CHADMN Cc1ccc(CN(C)[C@@H](C)c2ccc(F)nc2)s1 ZINC000929501776 1128276180 /nfs/dbraw/zinc/27/61/80/1128276180.db2.gz YNECMTDSNCTHED-NSHDSACASA-N 0 1 264.369 3.784 20 0 CHADMN CCCCCC[C@@H](C)N1CCN(CC(F)(F)F)CC1 ZINC001257368726 1128277874 /nfs/dbraw/zinc/27/78/74/1128277874.db2.gz ODNGDJATBZPRTA-CYBMUJFWSA-N 0 1 280.378 3.525 20 0 CHADMN CCc1onc(C)c1CN1CCc2ccccc2[C@H]1C ZINC000929599099 1128278173 /nfs/dbraw/zinc/27/81/73/1128278173.db2.gz XBZWLAMUESRDEL-CYBMUJFWSA-N 0 1 270.376 3.665 20 0 CHADMN C[C@H](c1ncccn1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000929621407 1128279258 /nfs/dbraw/zinc/27/92/58/1128279258.db2.gz CGYJQELEUKHYCL-OCCSQVGLSA-N 0 1 287.794 3.681 20 0 CHADMN C[C@H](c1ncccn1)N1CCCC2(CCCCC2)C1 ZINC000929623157 1128279819 /nfs/dbraw/zinc/27/98/19/1128279819.db2.gz HIPNSJXAZGDTDB-CQSZACIVSA-N 0 1 259.397 3.584 20 0 CHADMN C[C@H]1SCCN(Cc2cnc(-c3ccccc3)o2)[C@H]1C ZINC000929673326 1128281715 /nfs/dbraw/zinc/28/17/15/1128281715.db2.gz XMXHOBLPQNNHAX-QWHCGFSZSA-N 0 1 288.416 3.667 20 0 CHADMN CCc1ncc(CN2CCC(c3ccc(F)cc3)CC2)o1 ZINC000929812165 1128288947 /nfs/dbraw/zinc/28/89/47/1128288947.db2.gz JHWPKXJTAFAYKQ-UHFFFAOYSA-N 0 1 288.366 3.756 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)C[C@H]2c2ccco2)c(C)nn1 ZINC000929758996 1128285592 /nfs/dbraw/zinc/28/55/92/1128285592.db2.gz VIECOFCJKVFQSY-WBMJQRKESA-N 0 1 285.391 3.660 20 0 CHADMN COc1cccc(CN(C)Cc2ccc(Cl)nc2)c1C ZINC000929789022 1128287275 /nfs/dbraw/zinc/28/72/75/1128287275.db2.gz UBBQMULBSQMKEK-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN Cc1cc(C)nc(CN2CCC[C@H]2c2cccc(C)n2)c1 ZINC000929847401 1128290478 /nfs/dbraw/zinc/29/04/78/1128290478.db2.gz IKEOXRMDRYFLIT-SFHVURJKSA-N 0 1 281.403 3.739 20 0 CHADMN CCCCC[C@H](C(=O)NCCCc1cn[nH]c1C)C(C)C ZINC000153515755 1128290795 /nfs/dbraw/zinc/29/07/95/1128290795.db2.gz RKRGCNXPHHRZED-INIZCTEOSA-N 0 1 293.455 3.619 20 0 CHADMN Cc1cc(CN([C@@H](C)c2ccccc2)C2CC2)c(C)nn1 ZINC000929906577 1128293074 /nfs/dbraw/zinc/29/30/74/1128293074.db2.gz VXQMLXQLECHCNY-HNNXBMFYSA-N 0 1 281.403 3.819 20 0 CHADMN FCc1ccccc1CN(Cc1ccncc1)C1CC1 ZINC000930111751 1128301394 /nfs/dbraw/zinc/30/13/94/1128301394.db2.gz BEIHSKRWPZHHCV-UHFFFAOYSA-N 0 1 270.351 3.716 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000930038364 1128298714 /nfs/dbraw/zinc/29/87/14/1128298714.db2.gz FIRBJHHCSWDJCQ-WMLDXEAASA-N 0 1 299.393 3.858 20 0 CHADMN Cc1nnsc1[C@@H](C)N[C@H](C)c1ccccc1C ZINC000930184381 1128304459 /nfs/dbraw/zinc/30/44/59/1128304459.db2.gz NCZWYHBOAZJTHA-GHMZBOCLSA-N 0 1 261.394 3.567 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(OC(C)C)cc2)c(C)nn1 ZINC000930194204 1128306548 /nfs/dbraw/zinc/30/65/48/1128306548.db2.gz JXXIRHMWYDWLOR-CQSZACIVSA-N 0 1 299.418 3.731 20 0 CHADMN Fc1ccc([C@H](CC(F)(F)F)NCCOC2CC2)cc1 ZINC000930207706 1128307270 /nfs/dbraw/zinc/30/72/70/1128307270.db2.gz RESQWCKYXFRGDR-ZDUSSCGKSA-N 0 1 291.288 3.588 20 0 CHADMN Cc1cc(CNC2(c3cccc(Cl)c3)CC2)c(C)nn1 ZINC000930227977 1128309023 /nfs/dbraw/zinc/30/90/23/1128309023.db2.gz SYZVUUGRCLJSRQ-UHFFFAOYSA-N 0 1 287.794 3.526 20 0 CHADMN CCCc1cc(C(=O)N2CCCC[C@@H]2c2ccccc2)n[nH]1 ZINC000762733155 1128316206 /nfs/dbraw/zinc/31/62/06/1128316206.db2.gz YJXABZWIXCMYFB-QGZVFWFLSA-N 0 1 297.402 3.730 20 0 CHADMN CCCc1cc(C(=O)N2CCCC[C@H]2c2ccccc2)n[nH]1 ZINC000762733154 1128316372 /nfs/dbraw/zinc/31/63/72/1128316372.db2.gz YJXABZWIXCMYFB-KRWDZBQOSA-N 0 1 297.402 3.730 20 0 CHADMN CCc1ncc(CN(C)[C@H](CC)c2cccc(OC)c2)o1 ZINC000930496054 1128321475 /nfs/dbraw/zinc/32/14/75/1128321475.db2.gz KFHRXYUKYOHIIF-MRXNPFEDSA-N 0 1 288.391 3.829 20 0 CHADMN CC[C@@H]1C[C@H]1CN1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000930482044 1128320279 /nfs/dbraw/zinc/32/02/79/1128320279.db2.gz JLOXYJCNLHMEBI-VHDGCEQUSA-N 0 1 289.423 3.910 20 0 CHADMN COC/C(C)=C/CN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000930486365 1128321255 /nfs/dbraw/zinc/32/12/55/1128321255.db2.gz KUPMPLWJIFUSMV-LEHPZIBWSA-N 0 1 299.418 3.601 20 0 CHADMN CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193624046 1128323230 /nfs/dbraw/zinc/32/32/30/1128323230.db2.gz ZUTDMOLBEKUKNZ-OAHLLOKOSA-N 0 1 299.418 3.577 20 0 CHADMN Cc1nc2c(n1C[C@]1(C)CC1(Cl)Cl)CCCC2 ZINC001327181112 1128325093 /nfs/dbraw/zinc/32/50/93/1128325093.db2.gz CRMZNLKDRYYTSK-LBPRGKRZSA-N 0 1 273.207 3.654 20 0 CHADMN COC[C@]1(C)CCN(Cc2nc(C)c(C(C)(C)C)s2)C1 ZINC000930603195 1128327143 /nfs/dbraw/zinc/32/71/43/1128327143.db2.gz IPEDXGKWTLSCBF-MRXNPFEDSA-N 0 1 296.480 3.607 20 0 CHADMN Clc1cccc(CN[C@H]2CC23CC3)c1Br ZINC000715259152 1128330312 /nfs/dbraw/zinc/33/03/12/1128330312.db2.gz BSYUXMALJRRJCE-JTQLQIEISA-N 0 1 286.600 3.745 20 0 CHADMN Nc1ccc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)cn1 ZINC000930686936 1128331325 /nfs/dbraw/zinc/33/13/25/1128331325.db2.gz JMKAZTSNGQCFIP-GOSISDBHSA-N 0 1 293.414 3.781 20 0 CHADMN Nc1ccc(CN2CC3(CCCC3)[C@H]2c2ccccc2)cn1 ZINC000930686936 1128331328 /nfs/dbraw/zinc/33/13/28/1128331328.db2.gz JMKAZTSNGQCFIP-GOSISDBHSA-N 0 1 293.414 3.781 20 0 CHADMN Nc1ccc(CN2CC3(CC=CC3)[C@H]2c2ccccc2)cn1 ZINC000930824685 1128336326 /nfs/dbraw/zinc/33/63/26/1128336326.db2.gz FHHJGTKSYCMODX-GOSISDBHSA-N 0 1 291.398 3.557 20 0 CHADMN CC(F)(F)CCCN[C@@H](Cc1ccccc1)c1ncco1 ZINC000930894927 1128339725 /nfs/dbraw/zinc/33/97/25/1128339725.db2.gz NMCYHMQBUNLCFA-AWEZNQCLSA-N 0 1 294.345 3.983 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CCC(c2ccco2)CC1 ZINC000930923602 1128340237 /nfs/dbraw/zinc/34/02/37/1128340237.db2.gz NWFCJVWRNVSGDJ-LBPRGKRZSA-N 0 1 274.339 3.754 20 0 CHADMN CCN(CC(C)C)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000025974966 1128342023 /nfs/dbraw/zinc/34/20/23/1128342023.db2.gz YXNAWGPEZWQCPL-UHFFFAOYSA-N 0 1 285.391 3.503 20 0 CHADMN CCc1onc(C)c1CN[C@@]1(c2ccccc2)CC1(C)C ZINC000931078996 1128346309 /nfs/dbraw/zinc/34/63/09/1128346309.db2.gz IGDILIOUUQERFG-GOSISDBHSA-N 0 1 284.403 3.960 20 0 CHADMN Cc1cc(C)nc(CN[C@H](C)c2ccc3c(c2)CCCO3)c1 ZINC000931081221 1128346765 /nfs/dbraw/zinc/34/67/65/1128346765.db2.gz XGLCSMDVIYGVGZ-OAHLLOKOSA-N 0 1 296.414 3.874 20 0 CHADMN CCc1onc(C)c1CN[C@]1(c2ccccc2)CC1(C)C ZINC000931078997 1128346879 /nfs/dbraw/zinc/34/68/79/1128346879.db2.gz IGDILIOUUQERFG-SFHVURJKSA-N 0 1 284.403 3.960 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(F)nc1 ZINC001203520383 1128352555 /nfs/dbraw/zinc/35/25/55/1128352555.db2.gz ROZJLMJKWSWUGI-UHFFFAOYSA-N 0 1 269.279 3.521 20 0 CHADMN Cc1cnc2c(c1)CN([C@@H](C)Cc1cccc(F)c1)CC2 ZINC001168502005 1128353383 /nfs/dbraw/zinc/35/33/83/1128353383.db2.gz WSQAULMFTJSJGY-AWEZNQCLSA-N 0 1 284.378 3.518 20 0 CHADMN CCCC[C@@H](CC)[N@@H+](CC)CC(=O)OC(C)(C)C ZINC001257424157 1128355947 /nfs/dbraw/zinc/35/59/47/1128355947.db2.gz BWBZGJRTGXQLLF-CYBMUJFWSA-N 0 1 257.418 3.619 20 0 CHADMN CCCC[C@@H](CC)N(CC)CC(=O)OC(C)(C)C ZINC001257424157 1128355951 /nfs/dbraw/zinc/35/59/51/1128355951.db2.gz BWBZGJRTGXQLLF-CYBMUJFWSA-N 0 1 257.418 3.619 20 0 CHADMN CCc1nocc1CN[C@H](C)c1ccc(F)cc1C ZINC000932559744 1128414721 /nfs/dbraw/zinc/41/47/21/1128414721.db2.gz MTYKCQWEVZDAGJ-LLVKDONJSA-N 0 1 262.328 3.535 20 0 CHADMN Cc1ccc(F)cc1CN1CCC(c2ncco2)CC1 ZINC000931447128 1128362182 /nfs/dbraw/zinc/36/21/82/1128362182.db2.gz QCTPCSANTQGFTO-UHFFFAOYSA-N 0 1 274.339 3.502 20 0 CHADMN Cc1nc(CN2CC[C@@H](C(C)(C)C)C[C@H]2C)oc1C ZINC000561956273 1128364664 /nfs/dbraw/zinc/36/46/64/1128364664.db2.gz GGVGORNJFHEYKA-BXUZGUMPSA-N 0 1 264.413 3.938 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000561956202 1128365413 /nfs/dbraw/zinc/36/54/13/1128365413.db2.gz DYEXTRSWZVSADD-MRXNPFEDSA-N 0 1 268.360 3.514 20 0 CHADMN [O-]c1cccnc1C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000561956202 1128365417 /nfs/dbraw/zinc/36/54/17/1128365417.db2.gz DYEXTRSWZVSADD-MRXNPFEDSA-N 0 1 268.360 3.514 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)CCC(=O)OC(C)(C)C ZINC000055059140 1128366538 /nfs/dbraw/zinc/36/65/38/1128366538.db2.gz PTXQLXWOYOYMHS-LLVKDONJSA-N 0 1 299.361 3.689 20 0 CHADMN C[C@]1(C2CCCCC2)CCN1Cc1ccc(Cl)nn1 ZINC000931572144 1128369626 /nfs/dbraw/zinc/36/96/26/1128369626.db2.gz XYWDIOUPRHKRTL-OAHLLOKOSA-N 0 1 279.815 3.675 20 0 CHADMN CC(C)(C)[C@@H]1CSCCN1Cc1cc(C2CC2)no1 ZINC000931593347 1128370891 /nfs/dbraw/zinc/37/08/91/1128370891.db2.gz YGUARUOIUNTWRZ-AWEZNQCLSA-N 0 1 280.437 3.516 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccc(F)cc2C)nc1 ZINC000932563150 1128415434 /nfs/dbraw/zinc/41/54/34/1128415434.db2.gz ZWFSBKXAOARIBY-ZDUSSCGKSA-N 0 1 272.367 3.942 20 0 CHADMN CCc1nc([C@H]2CCCCN2C[C@@H](C)C(C)(C)C)no1 ZINC000670262786 1128374545 /nfs/dbraw/zinc/37/45/45/1128374545.db2.gz LXJDGHXKSZDGGA-CHWSQXEVSA-N 0 1 279.428 3.841 20 0 CHADMN Cc1nc([C@H]2CCCCN2C[C@H](C)C(C)(C)C)no1 ZINC000670262761 1128374952 /nfs/dbraw/zinc/37/49/52/1128374952.db2.gz IRSMFBQCEKLCDE-WCQYABFASA-N 0 1 265.401 3.587 20 0 CHADMN Cc1nc([C@@H]2CCCCN2C[C@@H](C)C(C)(C)C)no1 ZINC000670262762 1128375194 /nfs/dbraw/zinc/37/51/94/1128375194.db2.gz IRSMFBQCEKLCDE-YPMHNXCESA-N 0 1 265.401 3.587 20 0 CHADMN CC1(C)OCC[C@@H]1NCc1c(Cl)cccc1Cl ZINC000328238096 1128415704 /nfs/dbraw/zinc/41/57/04/1128415704.db2.gz AHCDSTDHTYPPNQ-LBPRGKRZSA-N 0 1 274.191 3.651 20 0 CHADMN CO[C@H](C)c1nc(CN(C)C[C@@H](C)C(C)(C)C)cs1 ZINC000670265516 1128377346 /nfs/dbraw/zinc/37/73/46/1128377346.db2.gz WSLRBPVRDVAUJC-VXGBXAGGSA-N 0 1 284.469 3.965 20 0 CHADMN COc1cc(CN[C@H]2CCc3cccc4cccc2c43)on1 ZINC000931809772 1128382548 /nfs/dbraw/zinc/38/25/48/1128382548.db2.gz VZHUASOYOYSOCX-INIZCTEOSA-N 0 1 294.354 3.614 20 0 CHADMN Cc1ccccc1-c1cccc(CN2CC[C@](F)(CO)C2)c1 ZINC000670273745 1128384321 /nfs/dbraw/zinc/38/43/21/1128384321.db2.gz VNOLXSHURPPGNL-LJQANCHMSA-N 0 1 299.389 3.568 20 0 CHADMN Cl/C=C(\Cl)CSc1nc(-c2ccccc2)n[nH]1 ZINC000763256208 1128385157 /nfs/dbraw/zinc/38/51/57/1128385157.db2.gz WQMXMHINDJHMPK-TWGQIWQCSA-N 0 1 286.187 3.883 20 0 CHADMN c1ccc([C@@]23C[C@@H]2CN(Cc2nc4ccccc4o2)C3)cc1 ZINC000931932285 1128388765 /nfs/dbraw/zinc/38/87/65/1128388765.db2.gz XNAZPCFIBFKXLR-BEFAXECRSA-N 0 1 290.366 3.601 20 0 CHADMN Cc1nc([C@@H]2CCN([C@H](C)c3cccc(Cl)c3)C2)no1 ZINC000931945309 1128389524 /nfs/dbraw/zinc/38/95/24/1128389524.db2.gz ZJUAAFOSWGVAHR-ZWNOBZJWSA-N 0 1 291.782 3.582 20 0 CHADMN Cn1ccc([C@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)n1 ZINC000932134426 1128395730 /nfs/dbraw/zinc/39/57/30/1128395730.db2.gz ZZVRUPGNKXKLCB-NSHDSACASA-N 0 1 295.839 3.515 20 0 CHADMN Cn1ccc([C@H]2CCCN(Cc3ccc(Cl)s3)C2)n1 ZINC000932134426 1128395735 /nfs/dbraw/zinc/39/57/35/1128395735.db2.gz ZZVRUPGNKXKLCB-NSHDSACASA-N 0 1 295.839 3.515 20 0 CHADMN CCOc1ccc(CN[C@@H](c2ccccc2)C2CC2)nc1 ZINC001168509649 1128417580 /nfs/dbraw/zinc/41/75/80/1128417580.db2.gz NQUKIBMRCVAGHB-SFHVURJKSA-N 0 1 282.387 3.721 20 0 CHADMN CC(C)CN(Cc1ccnc(Cl)c1)Cc1ccccn1 ZINC000932444723 1128410449 /nfs/dbraw/zinc/41/04/49/1128410449.db2.gz LSMLOOMVNPITCZ-UHFFFAOYSA-N 0 1 289.810 3.788 20 0 CHADMN CC[C@H](C)N1CCO[C@@](C)(c2ccc(Cl)cc2)C1 ZINC001257444161 1128419229 /nfs/dbraw/zinc/41/92/29/1128419229.db2.gz SNSOHTUWKQHEQA-SWLSCSKDSA-N 0 1 267.800 3.686 20 0 CHADMN FC(F)CC1C[C@H]2CC[C@@H](C1)N2Cc1cc(C2CC2)no1 ZINC000932801828 1128421579 /nfs/dbraw/zinc/42/15/79/1128421579.db2.gz ZRORYWVYGJJTLE-VGPLMAKISA-N 0 1 296.361 3.950 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1CCCOc1c(C)cccc1C ZINC000496854692 1128424860 /nfs/dbraw/zinc/42/48/60/1128424860.db2.gz RXZJDYLPVFVZAT-IAGOWNOFSA-N 0 1 291.435 3.572 20 0 CHADMN CC(C)c1nnc(CN2C[C@@H](c3ccccc3)CC2(C)C)o1 ZINC000932900842 1128425734 /nfs/dbraw/zinc/42/57/34/1128425734.db2.gz DIDCYMVJEUWJPQ-HNNXBMFYSA-N 0 1 299.418 3.961 20 0 CHADMN CC(C)c1nsc(CN2C[C@H](C3CC3)C[C@@H]2C2CC2)n1 ZINC000932888050 1128425993 /nfs/dbraw/zinc/42/59/93/1128425993.db2.gz XSBUWVQARNSBIY-ZIAGYGMSSA-N 0 1 291.464 3.672 20 0 CHADMN CC(C)n1ncnc1CN1C[C@@H](c2ccccc2)CC1(C)C ZINC000932906785 1128426531 /nfs/dbraw/zinc/42/65/31/1128426531.db2.gz XODGBLQUHWUMAO-INIZCTEOSA-N 0 1 298.434 3.627 20 0 CHADMN Cc1cc2ccnc(-c3c(F)cc(F)c(O)c3F)c2[nH]1 ZINC001235985864 1128430799 /nfs/dbraw/zinc/43/07/99/1128430799.db2.gz PSYDTFNSIOXGDH-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCCC[C@H]1C ZINC000037386214 1128431323 /nfs/dbraw/zinc/43/13/23/1128431323.db2.gz ZCBSQPWOTBFNOW-CYBMUJFWSA-N 0 1 275.392 3.662 20 0 CHADMN CC[C@H]1CCCC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000328472697 1128432068 /nfs/dbraw/zinc/43/20/68/1128432068.db2.gz NFODNVDCZVYLPK-LBPRGKRZSA-N 0 1 253.773 3.810 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1cccc([O-])c1Cl ZINC000328472697 1128432069 /nfs/dbraw/zinc/43/20/69/1128432069.db2.gz NFODNVDCZVYLPK-LBPRGKRZSA-N 0 1 253.773 3.810 20 0 CHADMN c1cn(C2CCCC2)nc1CN1CCC2(CCCC2)C1 ZINC000763414187 1128433881 /nfs/dbraw/zinc/43/38/81/1128433881.db2.gz RHGWTMNPBBVHKS-UHFFFAOYSA-N 0 1 273.424 3.764 20 0 CHADMN CC1(C)CCN(Cc2nncs2)C[C@H]1c1ccccc1 ZINC000933515439 1128436711 /nfs/dbraw/zinc/43/67/11/1128436711.db2.gz YIALWSZLIXHODD-AWEZNQCLSA-N 0 1 287.432 3.554 20 0 CHADMN CC1(C)CCN(Cc2nncs2)C[C@@H]1c1ccccc1 ZINC000933515442 1128437033 /nfs/dbraw/zinc/43/70/33/1128437033.db2.gz YIALWSZLIXHODD-CQSZACIVSA-N 0 1 287.432 3.554 20 0 CHADMN Fc1ccc(Cl)cc1CNCc1cccs1 ZINC000037927588 1128437369 /nfs/dbraw/zinc/43/73/69/1128437369.db2.gz DTJHBMZHPYJHRW-UHFFFAOYSA-N 0 1 255.745 3.830 20 0 CHADMN c1ccc(CN2CCC[C@]3(C=Cc4ccccc4O3)C2)nc1 ZINC000933661160 1128439804 /nfs/dbraw/zinc/43/98/04/1128439804.db2.gz XKJGOANXKWLJSM-IBGZPJMESA-N 0 1 292.382 3.522 20 0 CHADMN CN(Cc1cc2ccccc2o1)C(=O)c1ccc(F)cc1O ZINC000124001046 1128441137 /nfs/dbraw/zinc/44/11/37/1128441137.db2.gz UGTCERYHVBEVNK-UHFFFAOYSA-N 0 1 299.301 3.550 20 0 CHADMN CCCOc1c(Cl)cc(CN2CCCC2)cc1OC ZINC000123928550 1128441492 /nfs/dbraw/zinc/44/14/92/1128441492.db2.gz UKRQCEQAZNVLAO-UHFFFAOYSA-N 0 1 283.799 3.733 20 0 CHADMN CCC[C@@H](C)CC[C@H](C)NCc1nc(C(=O)OC)cs1 ZINC001257463123 1128443153 /nfs/dbraw/zinc/44/31/53/1128443153.db2.gz JJAFPWREJHVEJV-NEPJUHHUSA-N 0 1 298.452 3.624 20 0 CHADMN C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1c(F)cccc1Cl ZINC000124279725 1128443236 /nfs/dbraw/zinc/44/32/36/1128443236.db2.gz LDFXCCMPWVJVKJ-QWHCGFSZSA-N 0 1 299.817 3.995 20 0 CHADMN Cc1ccccc1-c1nc(CN(C)C(C2CC2)C2CC2)no1 ZINC000124818560 1128446419 /nfs/dbraw/zinc/44/64/19/1128446419.db2.gz ZKOGDMODBSMOGX-UHFFFAOYSA-N 0 1 297.402 3.665 20 0 CHADMN Cc1ccc(F)c(CN(C)CCc2cccc(C)n2)c1 ZINC000563051694 1128447818 /nfs/dbraw/zinc/44/78/18/1128447818.db2.gz BZUDFSDUEUJELG-UHFFFAOYSA-N 0 1 272.367 3.512 20 0 CHADMN CC[C@@H]1CCN(Cc2nc(-c3cccs3)oc2C)C1 ZINC000125347063 1128448811 /nfs/dbraw/zinc/44/88/11/1128448811.db2.gz YRMLYUQUMZHRJU-GFCCVEGCSA-N 0 1 276.405 3.943 20 0 CHADMN CCC[C@@](C)(NCc1cc(C)no1)c1ccccc1 ZINC000934179577 1128453013 /nfs/dbraw/zinc/45/30/13/1128453013.db2.gz GEYHELBYVNSPLZ-MRXNPFEDSA-N 0 1 258.365 3.788 20 0 CHADMN CSc1cccc(CN[C@H](C)c2cncs2)c1 ZINC000934193793 1128453538 /nfs/dbraw/zinc/45/35/38/1128453538.db2.gz NGXNSNBXYZZDRG-SNVBAGLBSA-N 0 1 264.419 3.716 20 0 CHADMN CCCCC1(NCc2nnc(-c3cccc(F)c3)o2)CC1 ZINC000934206890 1128454834 /nfs/dbraw/zinc/45/48/34/1128454834.db2.gz HPQNMYHEMLLXPR-UHFFFAOYSA-N 0 1 289.354 3.688 20 0 CHADMN CC[C@H]1CCN(Cc2csc(C(C)(C)C)n2)C1 ZINC000125890813 1128455261 /nfs/dbraw/zinc/45/52/61/1128455261.db2.gz UGQOUSICACRPKO-NSHDSACASA-N 0 1 252.427 3.673 20 0 CHADMN Cc1nnsc1CN(C(C)C)[C@@H](C)c1ccccc1 ZINC000563220338 1128455267 /nfs/dbraw/zinc/45/52/67/1128455267.db2.gz LFVQIPJSLDIXLB-ZDUSSCGKSA-N 0 1 275.421 3.818 20 0 CHADMN Cc1cccnc1[C@H](NCc1cccnc1)C(C)(C)C ZINC000934289450 1128456950 /nfs/dbraw/zinc/45/69/50/1128456950.db2.gz GJTGCNIFCOTTGO-INIZCTEOSA-N 0 1 269.392 3.662 20 0 CHADMN C[C@H]1CSCCCN1Cc1cc(-c2ccccc2)on1 ZINC000934301347 1128457315 /nfs/dbraw/zinc/45/73/15/1128457315.db2.gz DKBSFKFKNDTRMP-ZDUSSCGKSA-N 0 1 288.416 3.669 20 0 CHADMN Cc1cc(CN2CC[C@@H]3CCC[C@@H]32)cnc1Br ZINC000934336247 1128458638 /nfs/dbraw/zinc/45/86/38/1128458638.db2.gz KRRKDZXABDEQJO-STQMWFEESA-N 0 1 295.224 3.527 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Oc1ccc(F)cc1 ZINC000916852498 1128459377 /nfs/dbraw/zinc/45/93/77/1128459377.db2.gz RTEPWGCZFRCQLH-UHFFFAOYSA-N 0 1 296.301 3.743 20 0 CHADMN Fc1cccc(CN[C@H](c2ccncc2)C2CC2)c1F ZINC000934683710 1128465602 /nfs/dbraw/zinc/46/56/02/1128465602.db2.gz SBINGINCLLJDBF-INIZCTEOSA-N 0 1 274.314 3.601 20 0 CHADMN CSCC(C)(C)NCc1ncc(-c2ccc(C)cc2)o1 ZINC000934676670 1128466045 /nfs/dbraw/zinc/46/60/45/1128466045.db2.gz VUDXNDGRLMSPCR-UHFFFAOYSA-N 0 1 290.432 3.881 20 0 CHADMN CCOc1ccc(CCN(C)[C@H](C)c2ncc(C)o2)cc1 ZINC000934722465 1128468748 /nfs/dbraw/zinc/46/87/48/1128468748.db2.gz SSAJCCLASPIALW-CQSZACIVSA-N 0 1 288.391 3.617 20 0 CHADMN Fc1cccc(C[C@@H]2CCCN2C/C=C\Cl)c1 ZINC000917064191 1128473469 /nfs/dbraw/zinc/47/34/69/1128473469.db2.gz YDWCRVKBVJPGAN-UMSKNGNOSA-N 0 1 253.748 3.585 20 0 CHADMN Cc1cccc(CN[C@@H]2c3cc(F)ccc3C[C@H]2C)n1 ZINC000127337425 1128475472 /nfs/dbraw/zinc/47/54/72/1128475472.db2.gz BCMJSQAUAAVFDF-DIFFPNOSSA-N 0 1 270.351 3.552 20 0 CHADMN CN(C/C=C/Cl)CCCOc1cccc(Cl)c1 ZINC000917087323 1128479238 /nfs/dbraw/zinc/47/92/38/1128479238.db2.gz YEFJOAKPNIVEFY-XVNBXDOJSA-N 0 1 274.191 3.793 20 0 CHADMN CCN(Cc1noc(-c2ccccc2)n1)[C@H](C)C(C)C ZINC000067661252 1128486247 /nfs/dbraw/zinc/48/62/47/1128486247.db2.gz KDDNBAVWRQVZDN-CYBMUJFWSA-N 0 1 273.380 3.603 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226421268 1128485134 /nfs/dbraw/zinc/48/51/34/1128485134.db2.gz LFXZWLKUJIWICJ-MNOVXSKESA-N 0 1 299.773 3.727 20 0 CHADMN Cc1ncn(C)c1Nc1cc(F)c(F)cc1OC(C)C ZINC001212225334 1128487269 /nfs/dbraw/zinc/48/72/69/1128487269.db2.gz QENKNUYQZVFEAM-UHFFFAOYSA-N 0 1 281.306 3.538 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000563965790 1128487630 /nfs/dbraw/zinc/48/76/30/1128487630.db2.gz CQIFXELTDGFOIJ-MRXNPFEDSA-N 0 1 291.435 3.848 20 0 CHADMN Oc1cccc(CN2CCSC[C@H]2c2ccccc2)c1 ZINC000128386220 1128495026 /nfs/dbraw/zinc/49/50/26/1128495026.db2.gz PAHTXCFMVQEOKY-KRWDZBQOSA-N 0 1 285.412 3.682 20 0 CHADMN CC(C)=CCCNC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000935610560 1128496325 /nfs/dbraw/zinc/49/63/25/1128496325.db2.gz LIWYEEVKXUVPDB-UHFFFAOYSA-N 0 1 293.317 3.587 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C[C@@H]1CC=CCC1 ZINC000935614014 1128496371 /nfs/dbraw/zinc/49/63/71/1128496371.db2.gz OXVQTEXPYUSYOL-GFCCVEGCSA-N 0 1 269.348 3.556 20 0 CHADMN CCC[C@@H](C)CC[C@@H](C)N1CCN(CC(F)(F)F)CC1 ZINC001257482493 1128498313 /nfs/dbraw/zinc/49/83/13/1128498313.db2.gz RRCHXULLDDPZKT-ZIAGYGMSSA-N 0 1 294.405 3.771 20 0 CHADMN C[C@@H](c1ccccc1)[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000564210073 1128498956 /nfs/dbraw/zinc/49/89/56/1128498956.db2.gz QNXXPRXQLYPCKW-QGTPRVQTSA-N 0 1 295.382 3.548 20 0 CHADMN O=C1C[C@@H](c2ccccc2)N1CN(C1CC1)C1CCCCC1 ZINC000917428573 1128500448 /nfs/dbraw/zinc/50/04/48/1128500448.db2.gz BKMYXXXGADPCNW-SFHVURJKSA-N 0 1 298.430 3.715 20 0 CHADMN Cc1ncc([C@@H](C)N2CC[C@@H]2c2ccccc2)c(C)n1 ZINC000637813932 1129231275 /nfs/dbraw/zinc/23/12/75/1129231275.db2.gz UFGXZDQTNABDGM-CXAGYDPISA-N 0 1 267.376 3.601 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@H](F)Cc1ccccc1 ZINC000778396775 1128505838 /nfs/dbraw/zinc/50/58/38/1128505838.db2.gz CCCNAGWRUFNFBM-GFCCVEGCSA-N 0 1 293.725 3.565 20 0 CHADMN CC1(CCC(=O)Nc2cc(Cl)c(O)cc2F)CC1 ZINC000935973331 1128506833 /nfs/dbraw/zinc/50/68/33/1128506833.db2.gz SZTIIRREQDGLFF-UHFFFAOYSA-N 0 1 271.719 3.704 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@@H](C)CCC[C@H]1C ZINC000567116506 1128558063 /nfs/dbraw/zinc/55/80/63/1128558063.db2.gz ACMYAONBRCAMBP-NWDGAFQWSA-N 0 1 279.380 3.551 20 0 CHADMN CC1(C)CN(C/C=C\c2ccc(F)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000564532511 1128511253 /nfs/dbraw/zinc/51/12/53/1128511253.db2.gz GFAOMGUWKBAVEO-BALLFRDNSA-N 0 1 289.394 3.728 20 0 CHADMN CC[C@H](C)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000068450423 1128511423 /nfs/dbraw/zinc/51/14/23/1128511423.db2.gz OIXDMYHJLKXVRQ-JTQLQIEISA-N 0 1 279.771 3.620 20 0 CHADMN CC1(C)CCC[N@H+]([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000564577906 1128511604 /nfs/dbraw/zinc/51/16/04/1128511604.db2.gz SAQLBEDJMBLHRU-CYBMUJFWSA-N 0 1 299.773 3.727 20 0 CHADMN CC[C@@H](C)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000068450420 1128511709 /nfs/dbraw/zinc/51/17/09/1128511709.db2.gz OIXDMYHJLKXVRQ-SNVBAGLBSA-N 0 1 279.771 3.620 20 0 CHADMN CC(C)(C)c1cc(CN(C2CC2)C2CCCC2)no1 ZINC000564758940 1128514820 /nfs/dbraw/zinc/51/48/20/1128514820.db2.gz KKLCHOSQFOOZQR-UHFFFAOYSA-N 0 1 262.397 3.879 20 0 CHADMN CC1(C)[C@H](c2ccccc2)CC[N@H+]1CCCCCC(=O)[O-] ZINC000564739293 1128514837 /nfs/dbraw/zinc/51/48/37/1128514837.db2.gz YLPQZTXOZBHNKQ-INIZCTEOSA-N 0 1 289.419 3.900 20 0 CHADMN Cc1ccccc1-c1noc([C@@H]2CCN2C2CCCC2)n1 ZINC000923757734 1128518673 /nfs/dbraw/zinc/51/86/73/1128518673.db2.gz HIHAFCBYLPHMJX-HNNXBMFYSA-N 0 1 283.375 3.734 20 0 CHADMN CC(C)(C)C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000565101869 1128519817 /nfs/dbraw/zinc/51/98/17/1128519817.db2.gz ZZXIVFHXSARCAH-CQSZACIVSA-N 0 1 293.382 3.925 20 0 CHADMN Cc1oc([C@H](C)[N@H+]2CC[C@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000565102433 1128519996 /nfs/dbraw/zinc/51/99/96/1128519996.db2.gz HZHGUVZZVKQTJB-WFASDCNBSA-N 0 1 299.370 3.837 20 0 CHADMN Cc1[nH]c2ccc(CN[C@H](C)c3cncnc3C)cc2c1C ZINC000565218906 1128521320 /nfs/dbraw/zinc/52/13/20/1128521320.db2.gz QKURHLUHFJMBPN-CYBMUJFWSA-N 0 1 294.402 3.734 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](CC[C@@H]1CCC[C@@H](C)C1)C1CCC1 ZINC000565252060 1128522898 /nfs/dbraw/zinc/52/28/98/1128522898.db2.gz ADJRFYILJPGQDB-MCIONIFRSA-N 0 1 267.413 3.530 20 0 CHADMN CC[N@@H+](CC1CCC(C)CC1)C1CCC(C(=O)[O-])CC1 ZINC000565254293 1128523152 /nfs/dbraw/zinc/52/31/52/1128523152.db2.gz PISMTRHCIZXKAN-UHFFFAOYSA-N 0 1 281.440 3.778 20 0 CHADMN Cc1oncc1CN[C@H](c1ccccc1)C1CCC1 ZINC000129052604 1128528512 /nfs/dbraw/zinc/52/85/12/1128528512.db2.gz CFLJJSGDBJHGSI-MRXNPFEDSA-N 0 1 256.349 3.614 20 0 CHADMN CC(F)(F)C(C)(C)CNCc1ncc(Cl)s1 ZINC000699958453 1128534967 /nfs/dbraw/zinc/53/49/67/1128534967.db2.gz FKHDUZOURJBAET-UHFFFAOYSA-N 0 1 268.760 3.568 20 0 CHADMN CC(C)n1cc([C@@H](C)NCc2ccc(Cl)cc2)cn1 ZINC000565968357 1128536108 /nfs/dbraw/zinc/53/61/08/1128536108.db2.gz GYYYZDJMMQYVID-GFCCVEGCSA-N 0 1 277.799 3.968 20 0 CHADMN FC1(F)CCC12CN(Cc1ccc(OCC3CC3)cc1)C2 ZINC000565984321 1128536773 /nfs/dbraw/zinc/53/67/73/1128536773.db2.gz SWLSDFFCBLRLSU-UHFFFAOYSA-N 0 1 293.357 3.707 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])c(C)o1 ZINC000566073987 1128538488 /nfs/dbraw/zinc/53/84/88/1128538488.db2.gz KSXAYVLFXRQQSF-ABAIWWIYSA-N 0 1 279.380 3.687 20 0 CHADMN CCCCc1noc(C[N@H+]2CCC3(C2)CCCCC3)n1 ZINC000129982327 1128560271 /nfs/dbraw/zinc/56/02/71/1128560271.db2.gz ILKHTFNEPYIAIJ-UHFFFAOYSA-N 0 1 277.412 3.568 20 0 CHADMN CCCCc1noc(CN2CCC3(C2)CCCCC3)n1 ZINC000129982327 1128560275 /nfs/dbraw/zinc/56/02/75/1128560275.db2.gz ILKHTFNEPYIAIJ-UHFFFAOYSA-N 0 1 277.412 3.568 20 0 CHADMN Cc1nnsc1CN1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000566303578 1128542018 /nfs/dbraw/zinc/54/20/18/1128542018.db2.gz IFVIQVORZPMZOO-DOMZBBRYSA-N 0 1 287.432 3.820 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CCCc1ccccc1Cl ZINC000566360654 1128542510 /nfs/dbraw/zinc/54/25/10/1128542510.db2.gz YEPZSZCUBXEBKC-HNNXBMFYSA-N 0 1 297.826 3.704 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000566358795 1128542514 /nfs/dbraw/zinc/54/25/14/1128542514.db2.gz MPKRWABDDJRPAW-XHBSWPGZSA-N 0 1 291.366 3.677 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000566359712 1128542677 /nfs/dbraw/zinc/54/26/77/1128542677.db2.gz WCRIQKKPVXUVJU-CYBMUJFWSA-N 0 1 287.762 3.554 20 0 CHADMN CC(C)Sc1ccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000567241847 1128560605 /nfs/dbraw/zinc/56/06/05/1128560605.db2.gz KAFHNKJUNBFXSO-HNNXBMFYSA-N 0 1 293.432 3.626 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCCC(C)C ZINC000918494884 1128550266 /nfs/dbraw/zinc/55/02/66/1128550266.db2.gz NEOOBAHNWASPRN-UHFFFAOYSA-N 0 1 286.375 3.978 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2ccc(Cl)cc2Cl)n1 ZINC000041671035 1128551513 /nfs/dbraw/zinc/55/15/13/1128551513.db2.gz FGNUUEZAXSFKCH-SNVBAGLBSA-N 0 1 286.162 3.699 20 0 CHADMN CC(C)N1CCC[C@@H]1c1nc(-c2ccc(Cl)o2)no1 ZINC000924016964 1128554839 /nfs/dbraw/zinc/55/48/39/1128554839.db2.gz JMUTVRPZJIOILO-SECBINFHSA-N 0 1 281.743 3.528 20 0 CHADMN O=C1OC2(CCCC2)CN1CN(C1CC1)C1CCCCC1 ZINC000778566734 1128556594 /nfs/dbraw/zinc/55/65/94/1128556594.db2.gz GFKURRDOZRDSAM-UHFFFAOYSA-N 0 1 292.423 3.506 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnccn1)c1ccc2c(c1)CCCC2 ZINC000070478645 1128565906 /nfs/dbraw/zinc/56/59/06/1128565906.db2.gz FZJANMBDXCNOCH-KGLIPLIRSA-N 0 1 281.403 3.767 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@@H]1NCc1nnc(C2CC2)o1 ZINC000567666187 1128569423 /nfs/dbraw/zinc/56/94/23/1128569423.db2.gz JBZQXBRPQVADGE-JSGCOSHPSA-N 0 1 277.412 3.642 20 0 CHADMN CC(C)CC[C@H]1CCC[C@@H]1NCc1nnc(C2CC2)o1 ZINC000567666188 1128569656 /nfs/dbraw/zinc/56/96/56/1128569656.db2.gz JBZQXBRPQVADGE-OCCSQVGLSA-N 0 1 277.412 3.642 20 0 CHADMN CSc1ccccc1CN1C[C@H](C)OC2(CCC2)C1 ZINC000567810812 1128572252 /nfs/dbraw/zinc/57/22/52/1128572252.db2.gz IKAZAPXQCGMDDF-ZDUSSCGKSA-N 0 1 277.433 3.552 20 0 CHADMN Cc1cccnc1NCc1nc(C(C)C)n2ccccc12 ZINC000568030041 1128576466 /nfs/dbraw/zinc/57/64/66/1128576466.db2.gz FPBUTSHBVGOXPP-UHFFFAOYSA-N 0 1 280.375 3.773 20 0 CHADMN CCC(C)(C)c1ccc(C[N@@H+](C)[C@H](C)CC(=O)[O-])cc1 ZINC000568289402 1128581964 /nfs/dbraw/zinc/58/19/64/1128581964.db2.gz ZJKLBIXIEHSFAX-CYBMUJFWSA-N 0 1 277.408 3.669 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CCC(C)C)CC(=O)[O-] ZINC000568290279 1128582074 /nfs/dbraw/zinc/58/20/74/1128582074.db2.gz FBZDONIHJRJIAE-HNNXBMFYSA-N 0 1 263.381 3.570 20 0 CHADMN CC[C@H](c1ccccc1OC)N(C)Cc1cccc(O)c1 ZINC000568448351 1128585544 /nfs/dbraw/zinc/58/55/44/1128585544.db2.gz IBXHIMKNZQHLAG-QGZVFWFLSA-N 0 1 285.387 3.984 20 0 CHADMN CC(C)(C)CCC[N@@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000568521164 1128586987 /nfs/dbraw/zinc/58/69/87/1128586987.db2.gz SZEQYBFRZAAWOS-UHFFFAOYSA-N 0 1 299.361 3.678 20 0 CHADMN Cc1cccc(-c2noc(CN(C)[C@H](C)C(C)C)n2)c1 ZINC000556483371 1128593747 /nfs/dbraw/zinc/59/37/47/1128593747.db2.gz VRGDWZXIRFTIGT-CYBMUJFWSA-N 0 1 273.380 3.521 20 0 CHADMN CC(C)(C)c1[nH]ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000568884897 1128593907 /nfs/dbraw/zinc/59/39/07/1128593907.db2.gz ALMZJUBIBLPIBZ-UHFFFAOYSA-N 0 1 277.755 3.613 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OC1(C)CCCC1 ZINC000778672867 1128594416 /nfs/dbraw/zinc/59/44/16/1128594416.db2.gz RHBMZYDILIWZBO-UHFFFAOYSA-N 0 1 284.359 3.875 20 0 CHADMN C[C@H]1CN(C/C=C\c2ccc(F)cc2)CCC1(F)F ZINC000568922158 1128594517 /nfs/dbraw/zinc/59/45/17/1128594517.db2.gz OMEFQEFISKOQER-DLGQBQFBSA-N 0 1 269.310 3.816 20 0 CHADMN COCc1ccc(CN(C)[C@H](C)c2ccc(C)cc2)o1 ZINC000130795428 1128594855 /nfs/dbraw/zinc/59/48/55/1128594855.db2.gz IURMETBEERRYPO-CQSZACIVSA-N 0 1 273.376 3.927 20 0 CHADMN Cc1cccc2nc(CNC(=O)C=CC3CCCCC3)[nH]c21 ZINC000155256798 1128603632 /nfs/dbraw/zinc/60/36/32/1128603632.db2.gz TVIQILZEXFAWQI-ZHACJKMWSA-N 0 1 297.402 3.624 20 0 CHADMN CC[C@H](C)N(C)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000170760657 1128604538 /nfs/dbraw/zinc/60/45/38/1128604538.db2.gz WGIZHZUGSNETKD-JTQLQIEISA-N 0 1 291.782 3.601 20 0 CHADMN CCC[C@H](C)[C@@H](CO)N[C@H](C)c1csc(C(C)C)n1 ZINC000569732025 1128608357 /nfs/dbraw/zinc/60/83/57/1128608357.db2.gz FFZIGXDFWLNEBM-YNEHKIRRSA-N 0 1 284.469 3.714 20 0 CHADMN C[C@H](CCNc1ccc2nn[nH]c2c1)c1ccccc1 ZINC000569915945 1128612324 /nfs/dbraw/zinc/61/23/24/1128612324.db2.gz UXELDSMSMGGOPM-GFCCVEGCSA-N 0 1 266.348 3.564 20 0 CHADMN C[C@H](CCNc1ccc2n[nH]nc2c1)c1ccccc1 ZINC000569915945 1128612325 /nfs/dbraw/zinc/61/23/25/1128612325.db2.gz UXELDSMSMGGOPM-GFCCVEGCSA-N 0 1 266.348 3.564 20 0 CHADMN COc1ccc(CN(C)C/C(C)=C/c2ccccc2)cn1 ZINC000570130647 1128616954 /nfs/dbraw/zinc/61/69/54/1128616954.db2.gz RCQFAJRAMIPWBN-RVDMUPIBSA-N 0 1 282.387 3.626 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(CCn1ccnc1)C1CC1 ZINC000131434742 1128619774 /nfs/dbraw/zinc/61/97/74/1128619774.db2.gz BRQYYUSRZCOJMV-ZDUSSCGKSA-N 0 1 289.810 3.762 20 0 CHADMN Cc1oc(C[N@@H+](C)CCCC2CCCC2)cc1C(=O)[O-] ZINC000570287205 1128619984 /nfs/dbraw/zinc/61/99/84/1128619984.db2.gz WZBABAWWLFBDKU-UHFFFAOYSA-N 0 1 279.380 3.688 20 0 CHADMN C/C(=C/c1ccccc1)CNCc1ccn(C(C)C)n1 ZINC000570301888 1128620656 /nfs/dbraw/zinc/62/06/56/1128620656.db2.gz FUFDMZDLJAYNFG-PTNGSMBKSA-N 0 1 269.392 3.657 20 0 CHADMN CC[C@H](C)[N@@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000072601556 1128625017 /nfs/dbraw/zinc/62/50/17/1128625017.db2.gz PWCFQBYYYDBBPV-JTQLQIEISA-N 0 1 267.323 3.662 20 0 CHADMN CC[C@H](C)N(C)Cc1nc2ccccc2n1C(F)F ZINC000072601556 1128625018 /nfs/dbraw/zinc/62/50/18/1128625018.db2.gz PWCFQBYYYDBBPV-JTQLQIEISA-N 0 1 267.323 3.662 20 0 CHADMN Cc1nc2ccc(CN(C)Cc3cccc(O)c3)cc2s1 ZINC000570501843 1128625097 /nfs/dbraw/zinc/62/50/97/1128625097.db2.gz IFVUUIOJUXSFPW-UHFFFAOYSA-N 0 1 298.411 3.942 20 0 CHADMN Cc1ccc2nc(NC(=O)c3ccc(Cl)s3)[nH]c2c1 ZINC000570537896 1128626198 /nfs/dbraw/zinc/62/61/98/1128626198.db2.gz OYUSRMKBBURQFH-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN Cn1c2ccccc2nc1[C@@H]1CCCCN1CCCCF ZINC000556811951 1128626626 /nfs/dbraw/zinc/62/66/26/1128626626.db2.gz QXNLZVPTXOZDAC-INIZCTEOSA-N 0 1 289.398 3.850 20 0 CHADMN Cc1nonc1[C@H](C)NC1CC(c2cccc(Cl)c2)C1 ZINC000925471025 1128626809 /nfs/dbraw/zinc/62/68/09/1128626809.db2.gz PJIJNEMYOQMQDL-VOALNZTBSA-N 0 1 291.782 3.628 20 0 CHADMN CCc1cnc(CN2C[C@H](C)C[C@@H]2c2ccccc2)o1 ZINC000556848734 1128629755 /nfs/dbraw/zinc/62/97/55/1128629755.db2.gz HQDJRWZZPQPRSH-CZUORRHYSA-N 0 1 270.376 3.820 20 0 CHADMN CC(C)c1nc(CSc2c(F)cc(F)cc2F)n[nH]1 ZINC000571019554 1128635854 /nfs/dbraw/zinc/63/58/54/1128635854.db2.gz XEUDDSBKGSLKIK-UHFFFAOYSA-N 0 1 287.310 3.638 20 0 CHADMN CC(C)[C@@H](NC1CC(C(C)C)C1)c1nc(C2CC2)no1 ZINC000570795909 1128631897 /nfs/dbraw/zinc/63/18/97/1128631897.db2.gz SLYAJMNIANKAAY-JXQTWKCFSA-N 0 1 277.412 3.668 20 0 CHADMN Cc1cc(Br)c(CN2C3CCC2CC3)s1 ZINC000570792038 1128631943 /nfs/dbraw/zinc/63/19/43/1128631943.db2.gz OFCFFHORXGZYBB-UHFFFAOYSA-N 0 1 286.238 3.946 20 0 CHADMN CC(C)c1ccc([C@@H]2CCCN2Cc2cnccn2)cc1 ZINC000570778587 1128632307 /nfs/dbraw/zinc/63/23/07/1128632307.db2.gz TVWVUFDODAJULQ-SFHVURJKSA-N 0 1 281.403 3.937 20 0 CHADMN C[C@H](C1CC1)[N@@H+](Cc1c(Cl)cccc1C(=O)[O-])C1CC1 ZINC000570808166 1128632826 /nfs/dbraw/zinc/63/28/26/1128632826.db2.gz DWZDXYRGRJIIRQ-SNVBAGLBSA-N 0 1 293.794 3.801 20 0 CHADMN CC(C)C[C@H]1CCCCC[N@H+]1CCCCCC(=O)[O-] ZINC000572169005 1128643147 /nfs/dbraw/zinc/64/31/47/1128643147.db2.gz UUFYRRXLRMDYHR-OAHLLOKOSA-N 0 1 269.429 3.922 20 0 CHADMN CCOc1cccc([C@H](C)NCc2cccc(F)c2N)c1 ZINC000638457908 1128644432 /nfs/dbraw/zinc/64/44/32/1128644432.db2.gz PLAFEZKZLVRRBB-LBPRGKRZSA-N 0 1 288.366 3.657 20 0 CHADMN CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H]1c1cccs1 ZINC000073621745 1128645894 /nfs/dbraw/zinc/64/58/94/1128645894.db2.gz WIGGBJBAMQJKMQ-MELADBBJSA-N 0 1 294.464 3.578 20 0 CHADMN Cc1cc(Cl)cc(CN(C)Cc2cccc(O)c2)c1 ZINC000572623743 1128646224 /nfs/dbraw/zinc/64/62/24/1128646224.db2.gz XABTYIJDYQLOCX-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN Cc1cccc2c1OC[C@H](NCc1ccsc1Cl)C2 ZINC000573143239 1128651336 /nfs/dbraw/zinc/65/13/36/1128651336.db2.gz BMJBZFGBQZVSFT-CYBMUJFWSA-N 0 1 293.819 3.803 20 0 CHADMN O=C(Nc1nc2ccc(F)cc2[nH]1)C1=CCCCCC1 ZINC000573258942 1128653112 /nfs/dbraw/zinc/65/31/12/1128653112.db2.gz ZPCFPKYDAOYZSL-UHFFFAOYSA-N 0 1 273.311 3.531 20 0 CHADMN Cc1cc(CN2C[C@]3(CCCO3)[C@H]2C2CC2)c(C)s1 ZINC000556967544 1128653625 /nfs/dbraw/zinc/65/36/25/1128653625.db2.gz KNTHQGIKAAMJGQ-HZPDHXFCSA-N 0 1 277.433 3.508 20 0 CHADMN C[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000556969137 1128653776 /nfs/dbraw/zinc/65/37/76/1128653776.db2.gz PEJSRUWJCAMBDX-PSASIEDQSA-N 0 1 283.730 3.726 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000573666148 1128656938 /nfs/dbraw/zinc/65/69/38/1128656938.db2.gz CSZFRRSLUBKXIR-UHFFFAOYSA-N 0 1 287.338 3.802 20 0 CHADMN c1[nH]c(-c2ccccc2)nc1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC000574008698 1128660374 /nfs/dbraw/zinc/66/03/74/1128660374.db2.gz XZANAFXMJQYKFC-KRWDZBQOSA-N 0 1 293.414 3.841 20 0 CHADMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1ccsc1C(=O)[O-])C1CC1 ZINC000573975158 1128660632 /nfs/dbraw/zinc/66/06/32/1128660632.db2.gz KQVUJRATEKBRPH-WDEREUQCSA-N 0 1 281.421 3.845 20 0 CHADMN Clc1cnc(CN(C2CC2)[C@@H]2CCc3ccccc32)cn1 ZINC000799129325 1128670844 /nfs/dbraw/zinc/67/08/44/1128670844.db2.gz MAZNRBINMAFYPO-MRXNPFEDSA-N 0 1 299.805 3.782 20 0 CHADMN CN(Cc1ncc(Cl)n1C)CC1CCC(C)(C)CC1 ZINC000778986158 1128674936 /nfs/dbraw/zinc/67/49/36/1128674936.db2.gz HDAINCVWFAOHTE-UHFFFAOYSA-N 0 1 283.847 3.722 20 0 CHADMN CC[C@H](NCc1ccc([C@@H](C)O)cc1)c1ccc(F)cn1 ZINC000779023162 1128685515 /nfs/dbraw/zinc/68/55/15/1128685515.db2.gz PAIJSXKYJSWLMN-WBMJQRKESA-N 0 1 288.366 3.515 20 0 CHADMN COc1c(F)cc(CN2CC[C@H]3CCC[C@H]3C2)cc1F ZINC001138422225 1128691923 /nfs/dbraw/zinc/69/19/23/1128691923.db2.gz BGQDFRBBVVKUSP-OLZOCXBDSA-N 0 1 281.346 3.595 20 0 CHADMN Cc1cc(-c2noc(C[C@H]3CCC[C@H]3C)n2)cc2nc[nH]c21 ZINC000577898808 1128697786 /nfs/dbraw/zinc/69/77/86/1128697786.db2.gz PQTSJALLMWBQNV-ZYHUDNBSSA-N 0 1 296.374 3.900 20 0 CHADMN CC[C@H](NCc1ccc(C)o1)c1ccc(C(=O)OC)cc1 ZINC000601304375 1128709142 /nfs/dbraw/zinc/70/91/42/1128709142.db2.gz OGPHDNOQWZBQMB-INIZCTEOSA-N 0 1 287.359 3.616 20 0 CHADMN COc1cc(Cl)c(CN[C@H]2C[C@@H]2C(F)F)cc1Cl ZINC000578162007 1128709293 /nfs/dbraw/zinc/70/92/93/1128709293.db2.gz DLNGNYQVEKUWJH-XVKPBYJWSA-N 0 1 296.144 3.745 20 0 CHADMN CC(C)(CCN[C@@H](c1ncc[nH]1)c1ccccc1)C1CC1 ZINC000578148573 1128709888 /nfs/dbraw/zinc/70/98/88/1128709888.db2.gz OJWOIISQZPTLAE-MRXNPFEDSA-N 0 1 283.419 3.915 20 0 CHADMN C[C@@H]1Cc2cc(CN[C@@H]3CCOc4ccccc43)ccc2O1 ZINC000921487865 1128710470 /nfs/dbraw/zinc/71/04/70/1128710470.db2.gz ZICYDWVDLPUSQN-CXAGYDPISA-N 0 1 295.382 3.623 20 0 CHADMN CC(C)c1cc(C(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C)n[nH]1 ZINC000578546139 1128721011 /nfs/dbraw/zinc/72/10/11/1128721011.db2.gz RRUYCXZYNASWBG-CHWSQXEVSA-N 0 1 291.439 3.820 20 0 CHADMN CC1(C)CC[C@H]1N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000578560022 1128722342 /nfs/dbraw/zinc/72/23/42/1128722342.db2.gz RCSPJMQLBMXBFO-NWDGAFQWSA-N 0 1 288.218 3.805 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000779082246 1128724717 /nfs/dbraw/zinc/72/47/17/1128724717.db2.gz PKLCPNSHPJREOP-LRDDRELGSA-N 0 1 297.402 3.815 20 0 CHADMN C[C@H]1CCCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000078967280 1128724830 /nfs/dbraw/zinc/72/48/30/1128724830.db2.gz BOUMOSBVSGSRFM-NSHDSACASA-N 0 1 291.782 3.622 20 0 CHADMN Fc1ccc2c(c1)OCCC[C@H]2N[C@H]1CCC[C@H]1F ZINC000578794979 1128729110 /nfs/dbraw/zinc/72/91/10/1128729110.db2.gz JOQFSLPQWZQCHT-MCIONIFRSA-N 0 1 267.319 3.520 20 0 CHADMN CC[N@@H+](CCc1ccccc1)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000578874716 1128731897 /nfs/dbraw/zinc/73/18/97/1128731897.db2.gz DJLDBZYOKUKQFO-CYBMUJFWSA-N 0 1 287.359 3.603 20 0 CHADMN CCc1ccc(CC)c(NC(=O)c2ccc3cncn3c2)c1 ZINC000579688856 1117752790 /nfs/dbraw/zinc/75/27/90/1117752790.db2.gz QUZIPHYCYAFQOS-UHFFFAOYSA-N 0 1 293.370 3.711 20 0 CHADMN c1nc2cc(NCc3[nH]nc4ccccc43)ccc2s1 ZINC000683079506 1117753674 /nfs/dbraw/zinc/75/36/74/1117753674.db2.gz PPFWBQBLMISJNF-UHFFFAOYSA-N 0 1 280.356 3.785 20 0 CHADMN Cc1ccc(CN2CC3(CCC3(F)F)C2)cc1C ZINC000578926316 1128733661 /nfs/dbraw/zinc/73/36/61/1128733661.db2.gz GTXARAQQZCYNNS-UHFFFAOYSA-N 0 1 251.320 3.535 20 0 CHADMN C[C@@H](NCC(=O)Nc1cccc(Cl)c1)c1ccsc1 ZINC000061363377 1117754049 /nfs/dbraw/zinc/75/40/49/1117754049.db2.gz ASOHISZRKUWXSN-SNVBAGLBSA-N 0 1 294.807 3.691 20 0 CHADMN C[C@@H](NCC(=O)Nc1ccccc1Cl)c1ccsc1 ZINC000061363355 1117754185 /nfs/dbraw/zinc/75/41/85/1117754185.db2.gz KRSHZNQYTIEMBI-SNVBAGLBSA-N 0 1 294.807 3.691 20 0 CHADMN CC[C@@H](C)N1CCN(C(=O)C2(CC(C)C)CCCC2)CC1 ZINC000622657954 1117754583 /nfs/dbraw/zinc/75/45/83/1117754583.db2.gz MZYZLBKRTMDOAP-MRXNPFEDSA-N 0 1 294.483 3.536 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CC[C@H](CC(C)(C)C)C2)c1 ZINC000622673345 1117756233 /nfs/dbraw/zinc/75/62/33/1117756233.db2.gz KZRVWZBKRFWRRV-CYBMUJFWSA-N 0 1 299.418 3.770 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)C(C)(C)C)n[nH]2)cc1C ZINC000579714654 1117758669 /nfs/dbraw/zinc/75/86/69/1117758669.db2.gz ZGANPJDRQFDWIR-UHFFFAOYSA-N 0 1 285.391 3.564 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cc(F)cc(Cl)c2)n1 ZINC000339366086 1117764851 /nfs/dbraw/zinc/76/48/51/1117764851.db2.gz YDKPMLFYPKJBCC-LLVKDONJSA-N 0 1 283.734 3.575 20 0 CHADMN Cn1cc(C[N@H+]2CCC[C@H]2c2ccccc2)c(C(F)F)n1 ZINC000274608727 1117768519 /nfs/dbraw/zinc/76/85/19/1117768519.db2.gz SYZJVIYXQQPGGM-AWEZNQCLSA-N 0 1 291.345 3.695 20 0 CHADMN Cn1cc(CN2CCC[C@H]2c2ccccc2)c(C(F)F)n1 ZINC000274608727 1117768521 /nfs/dbraw/zinc/76/85/21/1117768521.db2.gz SYZJVIYXQQPGGM-AWEZNQCLSA-N 0 1 291.345 3.695 20 0 CHADMN CC(C)[C@@H]1C[C@@H](N[C@H]2COc3cc(F)cc(F)c32)CS1 ZINC000683109889 1117770852 /nfs/dbraw/zinc/77/08/52/1117770852.db2.gz HGEXEHQYPWSTFY-OSMZGAPFSA-N 0 1 299.386 3.518 20 0 CHADMN Cc1[nH]ncc1[C@@H](C)Nc1ccc2scnc2c1 ZINC000683110172 1117770948 /nfs/dbraw/zinc/77/09/48/1117770948.db2.gz QPAJCDILTPWBMM-MRVPVSSYSA-N 0 1 258.350 3.501 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2nccn2C(C)C)CC1 ZINC000172178000 1117772628 /nfs/dbraw/zinc/77/26/28/1117772628.db2.gz VXQZIKXPADNQGJ-OAHLLOKOSA-N 0 1 263.429 3.722 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@@H](C)c1cncc(C)c1 ZINC000274629608 1117776285 /nfs/dbraw/zinc/77/62/85/1117776285.db2.gz RCUZQCZICOOKDA-UONOGXRCSA-N 0 1 270.376 3.810 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001139885325 1117777415 /nfs/dbraw/zinc/77/74/15/1117777415.db2.gz NTLKLVCAIAVJSE-FPMFFAJLSA-N 0 1 287.300 3.946 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001139885325 1117777420 /nfs/dbraw/zinc/77/74/20/1117777420.db2.gz NTLKLVCAIAVJSE-FPMFFAJLSA-N 0 1 287.300 3.946 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N1CCCC[C@H](C)C1 ZINC000671243352 1117783160 /nfs/dbraw/zinc/78/31/60/1117783160.db2.gz WIIGOEJUSYVOQU-UONOGXRCSA-N 0 1 285.391 3.920 20 0 CHADMN C[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CCC1(F)F ZINC000579766687 1117784632 /nfs/dbraw/zinc/78/46/32/1117784632.db2.gz CZLUMISFDMFKOL-YGRLFVJLSA-N 0 1 269.310 3.790 20 0 CHADMN CCc1noc(C)c1CNCc1coc2ccccc12 ZINC000339436670 1117785574 /nfs/dbraw/zinc/78/55/74/1117785574.db2.gz MLAOXKLVGFZMLL-UHFFFAOYSA-N 0 1 270.332 3.581 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1CCC[C@H](C)C1 ZINC000003564686 1117793448 /nfs/dbraw/zinc/79/34/48/1117793448.db2.gz AYTVLLKAHXVPSU-AWEZNQCLSA-N 0 1 288.435 3.789 20 0 CHADMN Cc1noc([C@H]2CCCN2CCc2ccc(C(C)C)cc2)n1 ZINC000578987413 1128735517 /nfs/dbraw/zinc/73/55/17/1128735517.db2.gz CONASAUQHBJBJO-QGZVFWFLSA-N 0 1 299.418 3.881 20 0 CHADMN Cc1noc([C@@H]2CCCN2CCc2ccc(C(C)C)cc2)n1 ZINC000578987402 1128735529 /nfs/dbraw/zinc/73/55/29/1128735529.db2.gz CONASAUQHBJBJO-KRWDZBQOSA-N 0 1 299.418 3.881 20 0 CHADMN Cc1ccc2nc(S[C@H]3CCCCCC3=O)[nH]c2c1 ZINC000029302087 1117804156 /nfs/dbraw/zinc/80/41/56/1117804156.db2.gz VKLXVYPIOMJUKL-AWEZNQCLSA-N 0 1 274.389 3.865 20 0 CHADMN CC(C)=CC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000078887413 1117805448 /nfs/dbraw/zinc/80/54/48/1117805448.db2.gz QEUVEIXYZMTUQJ-UHFFFAOYSA-N 0 1 298.430 3.509 20 0 CHADMN c1cc2cc(NCCOC3CCSCC3)ccc2cn1 ZINC000901421323 1128740053 /nfs/dbraw/zinc/74/00/53/1128740053.db2.gz VQPHJYBDXGYELA-UHFFFAOYSA-N 0 1 288.416 3.559 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)C[C@@H](N2CCc3n[nH]cc3C2)C1 ZINC000623238393 1117825470 /nfs/dbraw/zinc/82/54/70/1117825470.db2.gz DUMROJWYSXFGIA-HFTRVMKXSA-N 0 1 295.430 3.740 20 0 CHADMN CN(Cc1cn2cccc(F)c2n1)C(C)(C)c1ccccc1 ZINC000671309144 1117826804 /nfs/dbraw/zinc/82/68/04/1117826804.db2.gz DECBZAOOMJUADK-UHFFFAOYSA-N 0 1 297.377 3.841 20 0 CHADMN Clc1cscc1CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000671309353 1117828946 /nfs/dbraw/zinc/82/89/46/1117828946.db2.gz XHJQBZLZOABDMJ-OLZOCXBDSA-N 0 1 271.813 3.545 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2nc3ccccc3o2)n1 ZINC000623332183 1117832195 /nfs/dbraw/zinc/83/21/95/1117832195.db2.gz PVIKZHWMIGYYNU-UHFFFAOYSA-N 0 1 288.376 3.536 20 0 CHADMN CSc1ccccc1C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000579073795 1128737615 /nfs/dbraw/zinc/73/76/15/1128737615.db2.gz KCMQEYCBEZQEMO-HNNXBMFYSA-N 0 1 279.449 3.655 20 0 CHADMN CSc1ccccc1CN1CCO[C@H](C(C)(C)C)C1 ZINC000579073795 1128737620 /nfs/dbraw/zinc/73/76/20/1128737620.db2.gz KCMQEYCBEZQEMO-HNNXBMFYSA-N 0 1 279.449 3.655 20 0 CHADMN Cc1noc(C)c1C[N@H+](C)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361576940 1117836601 /nfs/dbraw/zinc/83/66/01/1117836601.db2.gz KBOWRBWQHGGGQM-CHWSQXEVSA-N 0 1 290.329 3.844 20 0 CHADMN Cc1noc(C)c1CN(C)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361576940 1117836609 /nfs/dbraw/zinc/83/66/09/1117836609.db2.gz KBOWRBWQHGGGQM-CHWSQXEVSA-N 0 1 290.329 3.844 20 0 CHADMN CCCCC[N@@H+](Cc1ccc(F)cc1)Cc1cncnc1 ZINC000119063516 1117836786 /nfs/dbraw/zinc/83/67/86/1117836786.db2.gz LDMMWBOKWMMADV-UHFFFAOYSA-N 0 1 287.382 3.808 20 0 CHADMN CCCCCN(Cc1ccc(F)cc1)Cc1cncnc1 ZINC000119063516 1117836793 /nfs/dbraw/zinc/83/67/93/1117836793.db2.gz LDMMWBOKWMMADV-UHFFFAOYSA-N 0 1 287.382 3.808 20 0 CHADMN Cc1cc([C@H](C)[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)oc1C(=O)[O-] ZINC000579118748 1128738274 /nfs/dbraw/zinc/73/82/74/1128738274.db2.gz AJSYKYZCYBRCKI-BTJLNZGRSA-N 0 1 291.391 3.859 20 0 CHADMN Oc1ccc(Cl)cc1-c1nc(-c2cccs2)no1 ZINC000109037078 1117847845 /nfs/dbraw/zinc/84/78/45/1117847845.db2.gz JZSIGFMIVPEPPE-UHFFFAOYSA-N 0 1 278.720 3.824 20 0 CHADMN Cc1cc(CN(C)Cc2cccc(O)c2)cc(C)c1F ZINC001143374394 1117857687 /nfs/dbraw/zinc/85/76/87/1117857687.db2.gz VXYSBYJDGBAKFC-UHFFFAOYSA-N 0 1 273.351 3.780 20 0 CHADMN CCN1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000430215472 1117882350 /nfs/dbraw/zinc/88/23/50/1117882350.db2.gz CHROEFHYKUPZKY-ZDUSSCGKSA-N 0 1 268.198 3.914 20 0 CHADMN COc1cc(CNCc2ccc(C)c(C)n2)ccc1Cl ZINC000623546898 1117867958 /nfs/dbraw/zinc/86/79/58/1117867958.db2.gz ZBQXTVANMQRMEO-UHFFFAOYSA-N 0 1 290.794 3.650 20 0 CHADMN CCSc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000607761112 1117869025 /nfs/dbraw/zinc/86/90/25/1117869025.db2.gz NCHJYCIORRGLNQ-UHFFFAOYSA-N 0 1 274.176 3.891 20 0 CHADMN COc1cc(CNCc2cnc(C)cc2C)ccc1Cl ZINC000623542451 1117869360 /nfs/dbraw/zinc/86/93/60/1117869360.db2.gz BBUCIIHDDSKTQR-UHFFFAOYSA-N 0 1 290.794 3.650 20 0 CHADMN CO[C@H]1C[C@@H](N(C)Cc2cc(Cl)ccc2Cl)C1 ZINC000510092044 1117873655 /nfs/dbraw/zinc/87/36/55/1117873655.db2.gz LYKZXGFEFMVUAQ-TXEJJXNPSA-N 0 1 274.191 3.603 20 0 CHADMN c1sc(C2CC2)nc1CN[C@@H]1CC12CCCCC2 ZINC000623568248 1117873830 /nfs/dbraw/zinc/87/38/30/1117873830.db2.gz VDUMOWDHIZNJRN-CYBMUJFWSA-N 0 1 262.422 3.833 20 0 CHADMN Cc1cnccc1CN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000648509874 1117879419 /nfs/dbraw/zinc/87/94/19/1117879419.db2.gz HGJOHUQPAKNSAZ-WCQYABFASA-N 0 1 272.314 3.553 20 0 CHADMN COc1cc(C)ccc1C[N@H+]1Cc2ccccc2C[C@H]1C ZINC001206782982 1117885630 /nfs/dbraw/zinc/88/56/30/1117885630.db2.gz KBIWNPMUKRWYML-OAHLLOKOSA-N 0 1 281.399 3.950 20 0 CHADMN FC(F)Oc1ccc(CN2CCCC2)cc1Cl ZINC000109067537 1117888057 /nfs/dbraw/zinc/88/80/57/1117888057.db2.gz FUZSLJUKAXHZEU-UHFFFAOYSA-N 0 1 261.699 3.537 20 0 CHADMN C[C@H](NCc1cccc(OC(F)F)c1)c1ccoc1 ZINC000178504057 1117892663 /nfs/dbraw/zinc/89/26/63/1117892663.db2.gz REOTWENOZTUOCG-JTQLQIEISA-N 0 1 267.275 3.732 20 0 CHADMN CCN(Cc1cncnc1)[C@H](C)c1cc2ccccc2o1 ZINC000119368203 1117893749 /nfs/dbraw/zinc/89/37/49/1117893749.db2.gz VMAJXUYINLZPLW-CYBMUJFWSA-N 0 1 281.359 3.806 20 0 CHADMN CCn1nccc1CN[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000119376655 1117894091 /nfs/dbraw/zinc/89/40/91/1117894091.db2.gz DRUWZBLSICIFFB-ZDUSSCGKSA-N 0 1 275.371 3.510 20 0 CHADMN F[C@H]1CCC[C@H]1NCc1cnc(C2CCCC2)s1 ZINC000339589687 1117894160 /nfs/dbraw/zinc/89/41/60/1117894160.db2.gz IPIAINVFVVDEGH-QWHCGFSZSA-N 0 1 268.401 3.781 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2ccccc2F)n1 ZINC000178680243 1117894908 /nfs/dbraw/zinc/89/49/08/1117894908.db2.gz SHCWVPABNNZAGA-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000178590128 1117894926 /nfs/dbraw/zinc/89/49/26/1117894926.db2.gz PVMZPKSJKVFUOD-VHSXEESVSA-N 0 1 295.789 3.933 20 0 CHADMN COc1ccsc1[C@H](C)N[C@H](CO)c1sccc1C ZINC000349418211 1117897954 /nfs/dbraw/zinc/89/79/54/1117897954.db2.gz BBFJPLNPIHQSFY-WDEREUQCSA-N 0 1 297.445 3.511 20 0 CHADMN CC[C@H](N[C@@H](CO)c1ccsc1)c1ccc(F)cc1 ZINC000349414357 1117897994 /nfs/dbraw/zinc/89/79/94/1117897994.db2.gz NPNNOZAQHXFGBQ-GJZGRUSLSA-N 0 1 279.380 3.662 20 0 CHADMN C[C@H](N[C@H](CO)c1ccsc1)c1cc2c(s1)CCC2 ZINC000349424685 1117898309 /nfs/dbraw/zinc/89/83/09/1117898309.db2.gz UHCYNONEWLKCAW-GXFFZTMASA-N 0 1 293.457 3.683 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccsc1)c1cc2c(s1)CCC2 ZINC000349424683 1117898845 /nfs/dbraw/zinc/89/88/45/1117898845.db2.gz UHCYNONEWLKCAW-GWCFXTLKSA-N 0 1 293.457 3.683 20 0 CHADMN CC[C@@H](C)CN(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000179388032 1117905422 /nfs/dbraw/zinc/90/54/22/1117905422.db2.gz YVGKCAWGZIQLDG-GFCCVEGCSA-N 0 1 277.412 3.576 20 0 CHADMN CC[C@@H](C)CCC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000615282170 1128742945 /nfs/dbraw/zinc/74/29/45/1128742945.db2.gz YSQGHNHQUVHKMP-LLVKDONJSA-N 0 1 287.363 3.547 20 0 CHADMN CC1(C)CCCN(Cc2nc(Cc3ccccc3)no2)CC1 ZINC000127010806 1117906159 /nfs/dbraw/zinc/90/61/59/1117906159.db2.gz AWUUSZPGCPSOAV-UHFFFAOYSA-N 0 1 299.418 3.673 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCCC3(CCCCC3)CC2)c1 ZINC000579842161 1117906672 /nfs/dbraw/zinc/90/66/72/1117906672.db2.gz AVSNEFYLHKMPQC-UHFFFAOYSA-N 0 1 291.391 3.914 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@@H](C)c2cc(C(=O)[O-])c(C)o2)s1 ZINC000579843165 1117907017 /nfs/dbraw/zinc/90/70/17/1117907017.db2.gz WSWDGHOEQWWOAL-JTQLQIEISA-N 0 1 293.388 3.849 20 0 CHADMN CN(Cc1cccn1C)Cc1ccc2c(c1)CCCC2 ZINC000430241603 1117908327 /nfs/dbraw/zinc/90/83/27/1117908327.db2.gz GMZJCUVVKPVMJW-UHFFFAOYSA-N 0 1 268.404 3.536 20 0 CHADMN C[C@H](c1cccnc1)N(C)C/C=C\c1ccccc1 ZINC000350349183 1117909060 /nfs/dbraw/zinc/90/90/60/1117909060.db2.gz CAIXJUWFLPEDOL-YYRKOSNBSA-N 0 1 252.361 3.788 20 0 CHADMN CCc1nocc1CN(C)[C@H](C)c1ccccc1C ZINC000339606898 1117910559 /nfs/dbraw/zinc/91/05/59/1117910559.db2.gz GLURQJOCAHRVKJ-CYBMUJFWSA-N 0 1 258.365 3.738 20 0 CHADMN COc1cc(CN[C@@H]2c3ccccc3O[C@@H]2C)ccc1C ZINC000579282745 1128743421 /nfs/dbraw/zinc/74/34/21/1128743421.db2.gz XOAXUXQPWRYJNK-ACJLOTCBSA-N 0 1 283.371 3.615 20 0 CHADMN c1cc(Oc2ccccc2)oc1CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000623753939 1117920434 /nfs/dbraw/zinc/92/04/34/1117920434.db2.gz GKEVCIBLJUBQOF-YOEHRIQHSA-N 0 1 299.370 3.729 20 0 CHADMN C[C@@H](c1nc(-c2ccc(Cl)o2)no1)N1[C@H](C)CC[C@@H]1C ZINC000350911446 1117921724 /nfs/dbraw/zinc/92/17/24/1117921724.db2.gz RFRRLIYRZHZDLN-AEJSXWLSSA-N 0 1 295.770 3.917 20 0 CHADMN C[C@H](c1nc(C2CC(F)(F)C2)no1)N1[C@H](C)CC[C@@H]1C ZINC000351118924 1117926731 /nfs/dbraw/zinc/92/67/31/1117926731.db2.gz BLPBZZGXNZVFOY-KXUCPTDWSA-N 0 1 285.338 3.516 20 0 CHADMN C[C@H]1CC[C@H](c2nc(-c3ccn4cncc4c3)no2)CC1 ZINC000351458619 1117937630 /nfs/dbraw/zinc/93/76/30/1117937630.db2.gz PJCWXKNSBKYBIY-HAQNSBGRSA-N 0 1 282.347 3.678 20 0 CHADMN FC1(F)CCC[C@@H](CN2CCCC[C@@H]2c2cc[nH]n2)C1 ZINC000510124605 1117938445 /nfs/dbraw/zinc/93/84/45/1117938445.db2.gz RJKIQRDDRHQNEU-TZMCWYRMSA-N 0 1 283.366 3.762 20 0 CHADMN Cc1ccc([C@H](C)NC(=O)c2c(C)n[nH]c2C(C)C)s1 ZINC000763983994 1117939429 /nfs/dbraw/zinc/93/94/29/1117939429.db2.gz ROZKZOOYZSQHEK-JTQLQIEISA-N 0 1 291.420 3.702 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000623815322 1117940042 /nfs/dbraw/zinc/94/00/42/1117940042.db2.gz XQSDZDIZKXUEHJ-UHFFFAOYSA-N 0 1 298.390 3.715 20 0 CHADMN CCOCCC[N@@H+](Cc1nc2ccccc2s1)C1CC1 ZINC000932400760 1117946778 /nfs/dbraw/zinc/94/67/78/1117946778.db2.gz MYXZMMKWIXEYED-UHFFFAOYSA-N 0 1 290.432 3.687 20 0 CHADMN CCOCCCN(Cc1nc2ccccc2s1)C1CC1 ZINC000932400760 1117946782 /nfs/dbraw/zinc/94/67/82/1117946782.db2.gz MYXZMMKWIXEYED-UHFFFAOYSA-N 0 1 290.432 3.687 20 0 CHADMN Cc1csc([C@H](C)NCCOc2ccc(C)cc2C)n1 ZINC000623875851 1117947061 /nfs/dbraw/zinc/94/70/61/1117947061.db2.gz ZHXQFHQZSNPDFJ-AWEZNQCLSA-N 0 1 290.432 3.798 20 0 CHADMN CCCC[C@@H](C)N(CCCC)Cc1nnc(C)o1 ZINC000339650858 1117947803 /nfs/dbraw/zinc/94/78/03/1117947803.db2.gz NIHHGXGWVOOAGJ-GFCCVEGCSA-N 0 1 253.390 3.559 20 0 CHADMN Cc1ccc(Cl)cc1N(C)Cc1n[nH]c(C(C)C)n1 ZINC000339651360 1117947990 /nfs/dbraw/zinc/94/79/90/1117947990.db2.gz MKGQTWWAGYHBDT-UHFFFAOYSA-N 0 1 278.787 3.526 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc(C(C)C)c2)ncn1 ZINC000623924886 1117957248 /nfs/dbraw/zinc/95/72/48/1117957248.db2.gz QVSYGEKTOIUGRA-AWEZNQCLSA-N 0 1 269.392 3.759 20 0 CHADMN CC(C)(C)c1ccccc1NC(=O)[C@H](N)c1ccccc1 ZINC000037015986 1117958366 /nfs/dbraw/zinc/95/83/66/1117958366.db2.gz HYFGJJXBPBZBQS-MRXNPFEDSA-N 0 1 282.387 3.623 20 0 CHADMN CC(C)[C@@]1(CO)CCCN([C@@H](C)c2c(F)cccc2F)C1 ZINC000339701906 1117960319 /nfs/dbraw/zinc/96/03/19/1117960319.db2.gz OTUWOLPFKXLKCS-GUYCJALGSA-N 0 1 297.389 3.756 20 0 CHADMN CCN(Cc1ccccc1F)C[C@@H](C)C(F)(F)F ZINC001208906424 1117961817 /nfs/dbraw/zinc/96/18/17/1117961817.db2.gz WLJJMXVBMDXGDW-SNVBAGLBSA-N 0 1 263.278 3.846 20 0 CHADMN CCO[C@@H](CN[C@@H](C)c1nc(C)cs1)c1ccccc1 ZINC000623971772 1117963822 /nfs/dbraw/zinc/96/38/22/1117963822.db2.gz GUILVEOJQLQWPN-ZFWWWQNUSA-N 0 1 290.432 3.880 20 0 CHADMN O=C(c1cccc(F)c1O)N(CC1CCCCC1)C1CC1 ZINC001125306067 1117964498 /nfs/dbraw/zinc/96/44/98/1117964498.db2.gz NMKOQMZIVHMZGM-UHFFFAOYSA-N 0 1 291.366 3.716 20 0 CHADMN C[C@H](Nc1ccc(Cl)c(CN(C)C)c1)[C@@H]1CCCCO1 ZINC000623978106 1117965167 /nfs/dbraw/zinc/96/51/67/1117965167.db2.gz JUMGLLBWSVUCCR-LRDDRELGSA-N 0 1 296.842 3.771 20 0 CHADMN CC(C)(C)C[C@@H]1C[C@H]1N[C@@H]1CCCc2scnc21 ZINC000624007204 1117972055 /nfs/dbraw/zinc/97/20/55/1117972055.db2.gz PXKKTORADRVZAO-QJPTWQEYSA-N 0 1 264.438 3.935 20 0 CHADMN CSc1ccccc1CN1CCOC[C@@H]1CC1CCC1 ZINC000339775052 1117975485 /nfs/dbraw/zinc/97/54/85/1117975485.db2.gz IKPBDQMWLKNKEN-INIZCTEOSA-N 0 1 291.460 3.800 20 0 CHADMN CCC[C@H](CN[C@@H](C)c1nc(C)sc1C)OCC ZINC000624049233 1117976296 /nfs/dbraw/zinc/97/62/96/1117976296.db2.gz BXRPYTOKEBUFPH-GXFFZTMASA-N 0 1 270.442 3.616 20 0 CHADMN C[C@H](N[C@@H]1[C@@H](c2ccccc2)C1(C)C)c1nccs1 ZINC000624068115 1117978181 /nfs/dbraw/zinc/97/81/81/1117978181.db2.gz LKYYCQZMHUBSTA-IACUBPJLSA-N 0 1 272.417 3.986 20 0 CHADMN CC(C)CC[C@H](CO)N[C@H](C)c1csc(C(C)C)n1 ZINC000624110895 1117982720 /nfs/dbraw/zinc/98/27/20/1117982720.db2.gz IRRLHXVSFHFUFH-CHWSQXEVSA-N 0 1 284.469 3.714 20 0 CHADMN Cc1cc(C)c(C[N@@H+]2CC[C@@](C(=O)[O-])(C(C)C)C2)c(C)c1 ZINC000232745789 1117988245 /nfs/dbraw/zinc/98/82/45/1117988245.db2.gz FNKKEHCXWMNHFD-SFHVURJKSA-N 0 1 289.419 3.545 20 0 CHADMN CCc1nn(C)c(CC)c1CN[C@@H](C)c1cc(C)oc1C ZINC000181299275 1117997565 /nfs/dbraw/zinc/99/75/65/1117997565.db2.gz NCXBJKVEXAPDRM-LBPRGKRZSA-N 0 1 289.423 3.606 20 0 CHADMN Cc1cccc2c1ccnc2NC[C@H](c1ccco1)N(C)C ZINC000579467567 1128749189 /nfs/dbraw/zinc/74/91/89/1128749189.db2.gz GUAUKWHSULOXQO-MRXNPFEDSA-N 0 1 295.386 3.851 20 0 CHADMN CC(C)CC[C@@](C)(O)CNCc1csc(C(C)C)n1 ZINC000077456147 1118007143 /nfs/dbraw/zinc/00/71/43/1118007143.db2.gz FWCYBKWOFSDTDS-OAHLLOKOSA-N 0 1 284.469 3.543 20 0 CHADMN Cc1nc(-c2ccc([C@H](C)NCc3cn[nH]c3)cc2)cs1 ZINC000624213072 1118008708 /nfs/dbraw/zinc/00/87/08/1118008708.db2.gz KDNHCOLRRUTGBD-NSHDSACASA-N 0 1 298.415 3.692 20 0 CHADMN COc1ccc(CN2CC[C@]3(CC3(F)F)C2)c(Cl)c1 ZINC000649906905 1118013784 /nfs/dbraw/zinc/01/37/84/1118013784.db2.gz FOZLBOQSQWKOKA-ZDUSSCGKSA-N 0 1 287.737 3.580 20 0 CHADMN CCCC[N@@H+](Cc1nnc(C(C)C)[nH]1)C1CCCCC1 ZINC000579500904 1128750095 /nfs/dbraw/zinc/75/00/95/1128750095.db2.gz FDTZBZXYJJNIGY-UHFFFAOYSA-N 0 1 278.444 3.863 20 0 CHADMN Fc1ccc2c(c1Cl)[C@H](N[C@H]1CO[C@@H](C3CC3)C1)CC2 ZINC000624224292 1118019531 /nfs/dbraw/zinc/01/95/31/1118019531.db2.gz RJDXITVFUPCNOQ-MRVWCRGKSA-N 0 1 295.785 3.624 20 0 CHADMN CC[C@@H](NCc1c(F)cccc1Cl)[C@@H]1CCCO1 ZINC000182357784 1118020539 /nfs/dbraw/zinc/02/05/39/1118020539.db2.gz DOTJLCPQFJZIRL-KGLIPLIRSA-N 0 1 271.763 3.526 20 0 CHADMN CC[C@H](NCc1ccc(F)cc1C)c1c(C)noc1C ZINC000182399078 1118021997 /nfs/dbraw/zinc/02/19/97/1118021997.db2.gz DXIAFNXYIDXFJB-HNNXBMFYSA-N 0 1 276.355 3.980 20 0 CHADMN Cc1ccnc(CN[C@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000328110846 1118025008 /nfs/dbraw/zinc/02/50/08/1118025008.db2.gz NZNSCEDCAHJUDR-GFCCVEGCSA-N 0 1 292.329 3.842 20 0 CHADMN COC[C@H](C)CNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000443682336 1118029334 /nfs/dbraw/zinc/02/93/34/1118029334.db2.gz OFEGLFAUMXQZLS-SNVBAGLBSA-N 0 1 298.308 3.948 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)C1CCC1)c1nccn1C ZINC000182815092 1118030137 /nfs/dbraw/zinc/03/01/37/1118030137.db2.gz KCQWSKGMACHMIM-CZUORRHYSA-N 0 1 269.392 3.612 20 0 CHADMN C[C@@H](Nc1ccccc1CN1CCSCC1)C1CCC1 ZINC000183017055 1118034479 /nfs/dbraw/zinc/03/44/79/1118034479.db2.gz CGLNFFXARQRELQ-CQSZACIVSA-N 0 1 290.476 3.836 20 0 CHADMN CC(C)Cn1cc(CN(C)[C@@H](C)c2ccccc2)cn1 ZINC000182984115 1118035092 /nfs/dbraw/zinc/03/50/92/1118035092.db2.gz XMZLLELMQHVAGI-HNNXBMFYSA-N 0 1 271.408 3.732 20 0 CHADMN CC[C@H]1CCC[C@H](CN(C)Cc2nccn2C(F)F)C1 ZINC000182993875 1118035150 /nfs/dbraw/zinc/03/51/50/1118035150.db2.gz LURJRDHRLZDNKJ-STQMWFEESA-N 0 1 285.382 3.926 20 0 CHADMN CC(C)c1cnc(C[N@@H+](C)CC2CCCC2)s1 ZINC000183024477 1118035615 /nfs/dbraw/zinc/03/56/15/1118035615.db2.gz AMDCXIXCJYGNNA-UHFFFAOYSA-N 0 1 252.427 3.889 20 0 CHADMN CC(C)c1cnc(CN(C)CC2CCCC2)s1 ZINC000183024477 1118035621 /nfs/dbraw/zinc/03/56/21/1118035621.db2.gz AMDCXIXCJYGNNA-UHFFFAOYSA-N 0 1 252.427 3.889 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2ccncc2)cc1Cl ZINC000179657853 1118036079 /nfs/dbraw/zinc/03/60/79/1118036079.db2.gz YNEUGVPLTNEWBF-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN Cc1cccc(CNCc2ccc(C(F)(F)F)cc2)n1 ZINC000048329611 1118041051 /nfs/dbraw/zinc/04/10/51/1118041051.db2.gz YVJQFLOLEHESKK-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN Cc1cc(C)cc([C@H]2CCN(Cc3cscn3)C2)c1 ZINC000183481260 1118044957 /nfs/dbraw/zinc/04/49/57/1118044957.db2.gz HPOODBHUBQGBIG-AWEZNQCLSA-N 0 1 272.417 3.749 20 0 CHADMN Cc1cnccc1-n1nc(C(F)(F)F)cc1C(F)(F)F ZINC000634606417 1118047370 /nfs/dbraw/zinc/04/73/70/1118047370.db2.gz RKZNDUBSJBRPRP-UHFFFAOYSA-N 0 1 295.186 3.613 20 0 CHADMN C[C@@H](c1ccncc1)N(C)Cc1cccc2c1OC(C)(C)C2 ZINC000183709744 1118047983 /nfs/dbraw/zinc/04/79/83/1118047983.db2.gz LKZWQSYKGMUFGI-AWEZNQCLSA-N 0 1 296.414 3.988 20 0 CHADMN C[C@H](c1ccncc1)N(C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000183705998 1118048091 /nfs/dbraw/zinc/04/80/91/1118048091.db2.gz XUTWRBBWPFERLT-CQSZACIVSA-N 0 1 292.386 3.665 20 0 CHADMN CC[C@@H](C)CN(C)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000932495938 1118052993 /nfs/dbraw/zinc/05/29/93/1118052993.db2.gz IHTAMINNXAQVNS-SECBINFHSA-N 0 1 295.333 3.619 20 0 CHADMN CCc1nc([C@H](C)NCCOc2cccc(F)c2)cs1 ZINC000184736008 1118057305 /nfs/dbraw/zinc/05/73/05/1118057305.db2.gz UIYBBBZJLNKNLG-NSHDSACASA-N 0 1 294.395 3.574 20 0 CHADMN Cc1cc(CN[C@H](C)c2cnc(C)s2)c(C)o1 ZINC000089725817 1118057524 /nfs/dbraw/zinc/05/75/24/1118057524.db2.gz FJWGALDDTXGLQE-SECBINFHSA-N 0 1 250.367 3.512 20 0 CHADMN CCCC[C@H](NCc1nc(C(C)(C)C)no1)C1CCC1 ZINC000184884339 1118058363 /nfs/dbraw/zinc/05/83/63/1118058363.db2.gz ROGZWIGEEJAQCU-ZDUSSCGKSA-N 0 1 279.428 3.816 20 0 CHADMN CCCCCN[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185063512 1118059401 /nfs/dbraw/zinc/05/94/01/1118059401.db2.gz MXMFCQFWHXPBER-LLVKDONJSA-N 0 1 277.343 3.717 20 0 CHADMN Cc1cnc([C@@H](C)NCCOc2ccccc2Cl)s1 ZINC000185035801 1118059514 /nfs/dbraw/zinc/05/95/14/1118059514.db2.gz RMYHNUURQXHVGZ-LLVKDONJSA-N 0 1 296.823 3.835 20 0 CHADMN Fc1cccc(Cl)c1CNC[C@@H]1Cc2ccccc2O1 ZINC000037986355 1118064973 /nfs/dbraw/zinc/06/49/73/1118064973.db2.gz IWNBNYXVPONEDR-LBPRGKRZSA-N 0 1 291.753 3.572 20 0 CHADMN Fc1ccc(F)c(CN[C@H](c2cccnc2)C2CC2)c1 ZINC000340109501 1118067664 /nfs/dbraw/zinc/06/76/64/1118067664.db2.gz QPBQRVSYTQXYNL-INIZCTEOSA-N 0 1 274.314 3.601 20 0 CHADMN c1ccc(-c2cnc(CN[C@@H]3CCCC34CC4)nc2)cc1 ZINC000579615774 1128753591 /nfs/dbraw/zinc/75/35/91/1128753591.db2.gz SLXCNEPNNWHWMA-MRXNPFEDSA-N 0 1 279.387 3.566 20 0 CHADMN Cc1ccc(C)c(OCCCN2CCn3cccc3[C@H]2C)c1 ZINC000510173904 1118068462 /nfs/dbraw/zinc/06/84/62/1118068462.db2.gz DBNUMUQVFZWTJG-QGZVFWFLSA-N 0 1 298.430 3.951 20 0 CHADMN CCOc1cc(F)c(F)cc1CN1CC2CCC1CC2 ZINC001238659061 1118069187 /nfs/dbraw/zinc/06/91/87/1118069187.db2.gz BMHGKJZZPLRCLY-UHFFFAOYSA-N 0 1 281.346 3.738 20 0 CHADMN CCCN(C)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000579628345 1128753757 /nfs/dbraw/zinc/75/37/57/1128753757.db2.gz OCWBIYIBSYOREO-UHFFFAOYSA-N 0 1 267.241 3.825 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1ccc(Br)o1 ZINC000306623454 1118076405 /nfs/dbraw/zinc/07/64/05/1118076405.db2.gz DRWJRSPCMFZBGE-ZJUUUORDSA-N 0 1 272.186 3.805 20 0 CHADMN COc1c(Cl)ccc(CN2C[C@@H]3CCC[C@H]3C2)c1F ZINC001209698650 1118085329 /nfs/dbraw/zinc/08/53/29/1118085329.db2.gz JZMCOVUOGNVGAX-QWRGUYRKSA-N 0 1 283.774 3.720 20 0 CHADMN C[C@@H](c1ccccc1)N(Cc1ccc(F)nc1)C1CC1 ZINC000779154319 1128754787 /nfs/dbraw/zinc/75/47/87/1128754787.db2.gz QHFLIICBLMEUSP-ZDUSSCGKSA-N 0 1 270.351 3.946 20 0 CHADMN CC[C@H](NC)c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000234054301 1118096617 /nfs/dbraw/zinc/09/66/17/1118096617.db2.gz QFQKXMVZNCNEBJ-JTQLQIEISA-N 0 1 286.162 3.714 20 0 CHADMN C[C@H](NCc1cncn1C)c1ccc(-c2cccs2)cc1 ZINC000340175563 1118099314 /nfs/dbraw/zinc/09/93/14/1118099314.db2.gz NHJIKXFZDZOTGP-ZDUSSCGKSA-N 0 1 297.427 3.999 20 0 CHADMN Cc1cc(C)c(CN2CCN(Cc3ccco3)CC2)c(C)c1 ZINC000340215130 1118112233 /nfs/dbraw/zinc/11/22/33/1118112233.db2.gz DLYYSRHMPAKWGK-UHFFFAOYSA-N 0 1 298.430 3.523 20 0 CHADMN CC[N@@H+](CCSC(F)(F)F)Cc1ccccc1F ZINC001167244591 1118117948 /nfs/dbraw/zinc/11/79/48/1118117948.db2.gz VKBWOTCJJVJHLK-UHFFFAOYSA-N 0 1 281.318 3.901 20 0 CHADMN CCN(CCSC(F)(F)F)Cc1ccccc1F ZINC001167244591 1118117950 /nfs/dbraw/zinc/11/79/50/1118117950.db2.gz VKBWOTCJJVJHLK-UHFFFAOYSA-N 0 1 281.318 3.901 20 0 CHADMN CSc1ccc(Nc2cnc(N)cc2C)c(F)c1 ZINC001209971937 1118123636 /nfs/dbraw/zinc/12/36/36/1118123636.db2.gz FRNISSRZKFCDMB-UHFFFAOYSA-N 0 1 263.341 3.577 20 0 CHADMN CC[C@@H](NCc1nc(C(C)(C)C)cs1)[C@H]1CCCCO1 ZINC000653876903 1118125735 /nfs/dbraw/zinc/12/57/35/1118125735.db2.gz JMAIQIBZBUBGQM-CHWSQXEVSA-N 0 1 296.480 3.878 20 0 CHADMN C[C@H]1C[N@@H+](CC2(C)CCC2)[C@H](c2ccccc2)CO1 ZINC000340285716 1118132309 /nfs/dbraw/zinc/13/23/09/1118132309.db2.gz QZXQPYJHGVIGEN-HOCLYGCPSA-N 0 1 259.393 3.639 20 0 CHADMN CC[C@](C)(NC[C@@H]1CCCC[N@H+]1C(C)C)c1nccs1 ZINC000340287626 1118132608 /nfs/dbraw/zinc/13/26/08/1118132608.db2.gz WCUWRBKSAFLCQF-HOCLYGCPSA-N 0 1 295.496 3.621 20 0 CHADMN C/C=C(\C)COC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000842849729 1118142325 /nfs/dbraw/zinc/14/23/25/1118142325.db2.gz VMCDJALJCVOYNU-NYYWCZLTSA-N 0 1 270.332 3.508 20 0 CHADMN CC(C)C[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000074995173 1128758610 /nfs/dbraw/zinc/75/86/10/1128758610.db2.gz ALFCWVBEPGBSRW-LBPRGKRZSA-N 0 1 252.789 3.603 20 0 CHADMN CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1nc(C(C)(C)C)cs1 ZINC000120914535 1118146214 /nfs/dbraw/zinc/14/62/14/1118146214.db2.gz PTDOMCAYJXKFPA-QWHCGFSZSA-N 0 1 296.480 3.566 20 0 CHADMN CC[C@@H](O)[C@@H]1CCCCN1Cc1nc(C(C)(C)C)cs1 ZINC000120914535 1118146217 /nfs/dbraw/zinc/14/62/17/1118146217.db2.gz PTDOMCAYJXKFPA-QWHCGFSZSA-N 0 1 296.480 3.566 20 0 CHADMN CCOc1ccc([C@H](C)NCc2cnn(C3CCC3)c2)cc1 ZINC000921515133 1118155182 /nfs/dbraw/zinc/15/51/82/1118155182.db2.gz YXZZKGPOUKMXNL-AWEZNQCLSA-N 0 1 299.418 3.858 20 0 CHADMN CC(C)Oc1ccc(CNCc2cccc3c2OCC3)cc1 ZINC000921526440 1118157542 /nfs/dbraw/zinc/15/75/42/1118157542.db2.gz SAVBITIQKUUILT-UHFFFAOYSA-N 0 1 297.398 3.699 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCC(n2ccnc2)CC1 ZINC000171933136 1118160171 /nfs/dbraw/zinc/16/01/71/1118160171.db2.gz MIJYENPELJETIO-GFCCVEGCSA-N 0 1 291.345 3.559 20 0 CHADMN Cc1cc(CSc2nc(C=Cc3ccccc3)n[nH]2)no1 ZINC000012836315 1118163457 /nfs/dbraw/zinc/16/34/57/1118163457.db2.gz NHSXZTKVYFOPSB-BQYQJAHWSA-N 0 1 298.371 3.564 20 0 CHADMN C[C@@H](CCC(C)(C)C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000542652938 1118164143 /nfs/dbraw/zinc/16/41/43/1118164143.db2.gz DVBLBUJUIJZCNQ-ZDUSSCGKSA-N 0 1 291.439 3.578 20 0 CHADMN Cc1ccc(C2=CCN(Cc3ccc(C)nc3)CC2)cc1 ZINC000765561919 1118169305 /nfs/dbraw/zinc/16/93/05/1118169305.db2.gz AHMKYCCBMAEKNJ-UHFFFAOYSA-N 0 1 278.399 3.988 20 0 CHADMN Cc1nc(C)c([C@H](C)NCc2cccc3c2OCC3)s1 ZINC000693074841 1118172377 /nfs/dbraw/zinc/17/23/77/1118172377.db2.gz LZURRAAAADRDOR-JTQLQIEISA-N 0 1 288.416 3.546 20 0 CHADMN CNc1ncccc1CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000062017292 1118172668 /nfs/dbraw/zinc/17/26/68/1118172668.db2.gz QWRAHETZXBVVJR-GFCCVEGCSA-N 0 1 289.810 3.970 20 0 CHADMN CC(C)C[C@@H](C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000765581829 1118175168 /nfs/dbraw/zinc/17/51/68/1118175168.db2.gz UKGXRFIZSHHAKK-GFCCVEGCSA-N 0 1 280.387 3.508 20 0 CHADMN Cc1cc(F)cc([C@@]2(F)CCN(CCC[C@H]3CCO3)C2)c1 ZINC000639139407 1118175852 /nfs/dbraw/zinc/17/58/52/1118175852.db2.gz NECSXAJFPUVRNB-DLBZAZTESA-N 0 1 295.373 3.574 20 0 CHADMN c1oc(-c2ccccc2)nc1CSc1nc(C2CC2)n[nH]1 ZINC000021923592 1118176028 /nfs/dbraw/zinc/17/60/28/1118176028.db2.gz QQXOVVWAOGWAKM-UHFFFAOYSA-N 0 1 298.371 3.629 20 0 CHADMN c1oc(-c2ccccc2)nc1CSc1n[nH]c(C2CC2)n1 ZINC000021923592 1118176032 /nfs/dbraw/zinc/17/60/32/1118176032.db2.gz QQXOVVWAOGWAKM-UHFFFAOYSA-N 0 1 298.371 3.629 20 0 CHADMN Fc1ccc(C2(NCc3ccccn3)CCCC2)cc1 ZINC000102426796 1118178337 /nfs/dbraw/zinc/17/83/37/1118178337.db2.gz IZTULCSLTHQPFP-UHFFFAOYSA-N 0 1 270.351 3.780 20 0 CHADMN c1nn(CC2CCC2)cc1CNCc1cc2ccccc2o1 ZINC000921546110 1118179077 /nfs/dbraw/zinc/17/90/77/1118179077.db2.gz ZTLFSWVQYLKFBW-UHFFFAOYSA-N 0 1 295.386 3.719 20 0 CHADMN CCCCN(CCCO)Cc1nc2cc(C)ccc2s1 ZINC000625298163 1118181987 /nfs/dbraw/zinc/18/19/87/1118181987.db2.gz QHWQBMINYUXZFY-UHFFFAOYSA-N 0 1 292.448 3.589 20 0 CHADMN CCn1ccnc1[C@H](C)NCC1(C(F)(F)F)CCCC1 ZINC000624272262 1118183274 /nfs/dbraw/zinc/18/32/74/1118183274.db2.gz ADKQMXSOGMDEHH-NSHDSACASA-N 0 1 289.345 3.676 20 0 CHADMN Fc1ccc([C@H](N[C@@H]2CCCn3ccnc32)C2CCC2)cc1 ZINC000655708972 1118189933 /nfs/dbraw/zinc/18/99/33/1118189933.db2.gz QUDCQUOKRMRRLS-IAGOWNOFSA-N 0 1 299.393 3.988 20 0 CHADMN CC(C)c1ccc(NC(=O)Cc2n[nH]c3c2CCCC3)cc1 ZINC000188302265 1128761684 /nfs/dbraw/zinc/76/16/84/1128761684.db2.gz ITHMMHFJOSBHMO-UHFFFAOYSA-N 0 1 297.402 3.593 20 0 CHADMN C[C@H]1CC[C@H](NCc2nc(C(F)(F)F)cs2)CS1 ZINC000655723181 1118193893 /nfs/dbraw/zinc/19/38/93/1118193893.db2.gz HZHLSDPHRLGIGY-YUMQZZPRSA-N 0 1 296.383 3.536 20 0 CHADMN c1ccc2c(c1)CCC[C@H]2[N@@H+](Cc1cncnc1)C1CC1 ZINC000121515604 1118197069 /nfs/dbraw/zinc/19/70/69/1118197069.db2.gz RGFUOAWCDOEOHW-GOSISDBHSA-N 0 1 279.387 3.519 20 0 CHADMN c1ccc2c(c1)CCC[C@H]2N(Cc1cncnc1)C1CC1 ZINC000121515604 1118197072 /nfs/dbraw/zinc/19/70/72/1118197072.db2.gz RGFUOAWCDOEOHW-GOSISDBHSA-N 0 1 279.387 3.519 20 0 CHADMN Cc1cc([C@@H](N[C@@H]2CCCn3ccnc32)C2CC2)ccc1F ZINC000655736927 1118197803 /nfs/dbraw/zinc/19/78/03/1118197803.db2.gz LBYQQUSJVQUKSK-SJORKVTESA-N 0 1 299.393 3.906 20 0 CHADMN CO[C@H](CN[C@H](C)c1ccc(Cl)s1)C(F)(F)F ZINC000765734772 1118202036 /nfs/dbraw/zinc/20/20/36/1118202036.db2.gz JHBUVBVLLRHGCZ-HTRCEHHLSA-N 0 1 287.734 3.629 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@H](C)c1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000399383191 1118202571 /nfs/dbraw/zinc/20/25/71/1118202571.db2.gz JRUUVCCKSQCAID-WDEREUQCSA-N 0 1 267.369 3.653 20 0 CHADMN c1nn(C2CCC2)cc1CN[C@@H]1CSCc2ccccc21 ZINC000921613137 1118206363 /nfs/dbraw/zinc/20/63/63/1118206363.db2.gz OOEVWTJLIGCCPT-QGZVFWFLSA-N 0 1 299.443 3.686 20 0 CHADMN Cc1cc([C@H](C)NCc2cnn(CC3CCC3)c2)c(C)o1 ZINC000921617613 1118206376 /nfs/dbraw/zinc/20/63/76/1118206376.db2.gz PTCQFRACBOEGKY-ZDUSSCGKSA-N 0 1 287.407 3.744 20 0 CHADMN Cc1cc([C@H](C)NCc2cccc3c2OCC3)c(C)o1 ZINC000693113129 1118207104 /nfs/dbraw/zinc/20/71/04/1118207104.db2.gz RCGIWZKGRSMKHH-LBPRGKRZSA-N 0 1 271.360 3.682 20 0 CHADMN COc1cc([C@@H](C)NC2(c3ccccc3C)CC2)ccn1 ZINC000655779642 1118208086 /nfs/dbraw/zinc/20/80/86/1118208086.db2.gz PRSODJAOIBDJNF-CQSZACIVSA-N 0 1 282.387 3.739 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(CC3CC3)C(C)C)n[nH]2)cc1 ZINC000615795825 1128762973 /nfs/dbraw/zinc/76/29/73/1128762973.db2.gz LMECSJVSLRPLQP-UHFFFAOYSA-N 0 1 297.402 3.646 20 0 CHADMN CC[C@@H](NCc1cnn(CC(F)F)c1)c1ccccc1F ZINC000655805101 1118216331 /nfs/dbraw/zinc/21/63/31/1118216331.db2.gz BUUCKNUZNDNMAB-CQSZACIVSA-N 0 1 297.324 3.528 20 0 CHADMN CO[C@H]1C[C@H](N[C@H](C)c2cc(Cl)sc2Cl)C1 ZINC000624297001 1118218717 /nfs/dbraw/zinc/21/87/17/1118218717.db2.gz MDCZOEJSNIXFHD-BWZBUEFSSA-N 0 1 280.220 3.883 20 0 CHADMN Cc1nn(C)c(CNCc2c(C)cc(C)cc2C)c1Cl ZINC000921619112 1118219849 /nfs/dbraw/zinc/21/98/49/1118219849.db2.gz ASLGBEZYTOVWNA-UHFFFAOYSA-N 0 1 291.826 3.597 20 0 CHADMN COc1c(C)cccc1CN[C@@H]1CCCc2cccnc21 ZINC000655812655 1118220294 /nfs/dbraw/zinc/22/02/94/1118220294.db2.gz QLFNSJCKSGTPLI-MRXNPFEDSA-N 0 1 282.387 3.566 20 0 CHADMN CC(C)c1ccsc1C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615790258 1128764201 /nfs/dbraw/zinc/76/42/01/1128764201.db2.gz OEDZWQDWAYJGGA-UHFFFAOYSA-N 0 1 299.399 3.678 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N1CCC[C@@H]1c1cccs1 ZINC000042017942 1118233194 /nfs/dbraw/zinc/23/31/94/1118233194.db2.gz TYZWTLJTQKIPND-CQSZACIVSA-N 0 1 297.383 3.602 20 0 CHADMN CCN(Cc1ccccc1C)C(=O)c1cccc2n[nH]cc21 ZINC000042042639 1118234310 /nfs/dbraw/zinc/23/43/10/1118234310.db2.gz AONYXFUDYMKCND-UHFFFAOYSA-N 0 1 293.370 3.534 20 0 CHADMN c1ccc2c(c1)OCCC[C@H]2NCc1cccc2c1OCC2 ZINC000921630522 1118239884 /nfs/dbraw/zinc/23/98/84/1118239884.db2.gz AENZZSURBUPWRP-QGZVFWFLSA-N 0 1 295.382 3.625 20 0 CHADMN C[C@H](c1nc(-c2ccn3cncc3c2)no1)C1CCCC1 ZINC000351073442 1118241167 /nfs/dbraw/zinc/24/11/67/1118241167.db2.gz GFBMIGOETIDGQB-NSHDSACASA-N 0 1 282.347 3.678 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2cccc(F)c2F)cc1 ZINC000121873883 1118241865 /nfs/dbraw/zinc/24/18/65/1118241865.db2.gz BHDDOMWNNHHTTM-LBPRGKRZSA-N 0 1 291.341 3.962 20 0 CHADMN CC(C)c1ccccc1NC(=O)c1cccc2cn[nH]c21 ZINC000043974415 1118248961 /nfs/dbraw/zinc/24/89/61/1118248961.db2.gz TVIPTKYLOMALAF-UHFFFAOYSA-N 0 1 279.343 3.939 20 0 CHADMN CCn1c(C)cc(C(=O)Nc2ccc3nc(C)[nH]c3c2)c1C ZINC000044685796 1118250555 /nfs/dbraw/zinc/25/05/55/1118250555.db2.gz VKUNGSTVDOYNGG-UHFFFAOYSA-N 0 1 296.374 3.562 20 0 CHADMN C[C@H]1CCCCCN1Cc1ncc(C(C)(C)C)o1 ZINC000409445395 1118251485 /nfs/dbraw/zinc/25/14/85/1118251485.db2.gz PRTBRXFGSATFPU-LBPRGKRZSA-N 0 1 250.386 3.737 20 0 CHADMN CC[N@@H+](Cc1ccc2ccccc2c1)Cc1cncnc1 ZINC000351608729 1118259089 /nfs/dbraw/zinc/25/90/89/1118259089.db2.gz QTOUFGFYEQXNHN-UHFFFAOYSA-N 0 1 277.371 3.652 20 0 CHADMN CCN(Cc1ccc2ccccc2c1)Cc1cncnc1 ZINC000351608729 1118259093 /nfs/dbraw/zinc/25/90/93/1118259093.db2.gz QTOUFGFYEQXNHN-UHFFFAOYSA-N 0 1 277.371 3.652 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1nc2ccccc2s1 ZINC000172435194 1118260961 /nfs/dbraw/zinc/26/09/61/1118260961.db2.gz BLOGVSAEVGJVJS-LLVKDONJSA-N 0 1 280.462 3.870 20 0 CHADMN C[C@@H](F)CCN[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000340456968 1118261885 /nfs/dbraw/zinc/26/18/85/1118261885.db2.gz AROXFLXJHFDILI-MLGOLLRUSA-N 0 1 276.330 3.648 20 0 CHADMN O=C(c1ccc(Cl)c(O)c1)N1CCC[C@@H](C2CCC2)C1 ZINC001167314787 1118266613 /nfs/dbraw/zinc/26/66/13/1118266613.db2.gz NLEZETPTIMVAOM-CYBMUJFWSA-N 0 1 293.794 3.698 20 0 CHADMN CC[C@H](CN(C)[C@@H](C)c1nc(C)no1)c1ccccc1 ZINC000579979363 1118271706 /nfs/dbraw/zinc/27/17/06/1118271706.db2.gz WWFFDICKSIHVSV-GXTWGEPZSA-N 0 1 273.380 3.565 20 0 CHADMN C[C@H](NC1(c2ccccc2)CC1)c1cccc(O)c1 ZINC000282167577 1118272486 /nfs/dbraw/zinc/27/24/86/1118272486.db2.gz DUMHGEYYPCHUQY-ZDUSSCGKSA-N 0 1 253.345 3.732 20 0 CHADMN Clc1cccc(CNCc2cccc3c2OCC3)c1 ZINC000693158439 1118278080 /nfs/dbraw/zinc/27/80/80/1118278080.db2.gz CQQSVQPWYSUMKN-UHFFFAOYSA-N 0 1 273.763 3.565 20 0 CHADMN CC(C)[C@@H]1CCCCC[N@H+]1Cc1nnc(C2CC2)s1 ZINC001168581245 1118278411 /nfs/dbraw/zinc/27/84/11/1118278411.db2.gz SWYKFNGBOZZBHC-ZDUSSCGKSA-N 0 1 279.453 3.816 20 0 CHADMN CC(C)[C@@H]1CCCCCN1Cc1nnc(C2CC2)s1 ZINC001168581245 1118278413 /nfs/dbraw/zinc/27/84/13/1118278413.db2.gz SWYKFNGBOZZBHC-ZDUSSCGKSA-N 0 1 279.453 3.816 20 0 CHADMN CC[C@@H](O)CNC1(c2c(Cl)cccc2Cl)CCC1 ZINC000683680517 1118278601 /nfs/dbraw/zinc/27/86/01/1118278601.db2.gz GXORUJJRHQNAPP-SNVBAGLBSA-N 0 1 288.218 3.733 20 0 CHADMN CC[C@@H](NCc1cn2ccccc2n1)c1ccc(OC)cc1 ZINC000072982382 1118279949 /nfs/dbraw/zinc/27/99/49/1118279949.db2.gz MUNPMELEUZTRKU-QGZVFWFLSA-N 0 1 295.386 3.584 20 0 CHADMN CC(C)Cc1noc(CN[C@H]2CCCC[C@H]2C(C)(C)C)n1 ZINC000107507667 1118281722 /nfs/dbraw/zinc/28/17/22/1118281722.db2.gz CXYISJONPWGTHT-KGLIPLIRSA-N 0 1 293.455 3.963 20 0 CHADMN Cc1c(F)cccc1CN1CCC[C@@H]1c1cccnc1 ZINC001204507375 1118287903 /nfs/dbraw/zinc/28/79/03/1118287903.db2.gz WEOLQXROWLTPKW-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN CN(Cc1ncc(C(C)(C)C)o1)C1CCCCC1 ZINC000058745512 1118292687 /nfs/dbraw/zinc/29/26/87/1118292687.db2.gz MRZBXFRLOHYBOH-UHFFFAOYSA-N 0 1 250.386 3.737 20 0 CHADMN COc1ccc(CN(C)Cc2ccccc2C)c(OC)c1 ZINC000058888420 1118293498 /nfs/dbraw/zinc/29/34/98/1118293498.db2.gz LRCPKUDZCBKJNC-UHFFFAOYSA-N 0 1 285.387 3.644 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1C[C@H](C)C[C@H](C)C1 ZINC000060375381 1118298738 /nfs/dbraw/zinc/29/87/38/1118298738.db2.gz SPTDDERBANCRCP-BETUJISGSA-N 0 1 289.398 3.673 20 0 CHADMN O=C(Nc1ccc2ccccc2n1)c1ccc(O)c(Cl)c1 ZINC000060793098 1118302263 /nfs/dbraw/zinc/30/22/63/1118302263.db2.gz WSGWYFIFLZIHTA-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN Cc1ccc(CC[C@@H](C)N[C@H](C)c2cc(C)on2)o1 ZINC000340492328 1118303035 /nfs/dbraw/zinc/30/30/35/1118303035.db2.gz YWNOYHCNIXUBGC-ZWNOBZJWSA-N 0 1 262.353 3.556 20 0 CHADMN Cc1ccc(-c2nnc([C@@H](C)N3CCC(C)CC3)o2)cc1 ZINC000060992860 1118304772 /nfs/dbraw/zinc/30/47/72/1118304772.db2.gz DXYAQQXWXXXAGN-CQSZACIVSA-N 0 1 285.391 3.838 20 0 CHADMN CC(C)=CC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000061230643 1118305783 /nfs/dbraw/zinc/30/57/83/1118305783.db2.gz RQAXXRZEDMHVCF-HNNXBMFYSA-N 0 1 283.375 3.501 20 0 CHADMN COc1cccc(CN(C)Cc2ccc(F)c(F)c2)c1 ZINC000061759815 1118307843 /nfs/dbraw/zinc/30/78/43/1118307843.db2.gz PKTDDJBBLSFOJB-UHFFFAOYSA-N 0 1 277.314 3.605 20 0 CHADMN CCC[C@H](NC(=O)[C@@H](C)N1CCCCC1)c1ccccc1 ZINC000061744516 1118307855 /nfs/dbraw/zinc/30/78/55/1118307855.db2.gz NGKCNCZBXZLSDI-WBVHZDCISA-N 0 1 288.435 3.518 20 0 CHADMN C[C@@H](N[C@H](C)c1cc2cccc(F)c2o1)c1cn[nH]c1 ZINC000340499055 1118307883 /nfs/dbraw/zinc/30/78/83/1118307883.db2.gz NMULGZWLOMTVIA-NXEZZACHSA-N 0 1 273.311 3.707 20 0 CHADMN COc1ccc(F)cc1CN(C)Cc1ccccc1C ZINC000061760107 1118308369 /nfs/dbraw/zinc/30/83/69/1118308369.db2.gz SHUYYNNKKQIHFP-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN COc1ccc(-c2nc(CN3CCCCC3)cs2)cc1 ZINC000061804075 1118309641 /nfs/dbraw/zinc/30/96/41/1118309641.db2.gz UWZOAQFXCQVQKM-UHFFFAOYSA-N 0 1 288.416 3.805 20 0 CHADMN Cc1ccccc1[C@H](CC(F)(F)F)NC1CSC1 ZINC000683724551 1118311998 /nfs/dbraw/zinc/31/19/98/1118311998.db2.gz CPTLMNKASZZKJH-LBPRGKRZSA-N 0 1 275.339 3.694 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1NCc1cn[nH]c1 ZINC000671725412 1118312194 /nfs/dbraw/zinc/31/21/94/1118312194.db2.gz SLXVJCMUISLYEB-UHFFFAOYSA-N 0 1 284.407 3.711 20 0 CHADMN CCn1nc(C)c(CN(C)Cc2cc(F)ccc2C)c1C ZINC000683724991 1118312650 /nfs/dbraw/zinc/31/26/50/1118312650.db2.gz GZWHEASNJMCZIA-UHFFFAOYSA-N 0 1 289.398 3.599 20 0 CHADMN Cc1cc([C@H](C)NCCCSc2ccccc2)no1 ZINC000340521857 1118316229 /nfs/dbraw/zinc/31/62/29/1118316229.db2.gz WXQJDFPIJVWXKZ-ZDUSSCGKSA-N 0 1 276.405 3.816 20 0 CHADMN C[C@H](N[C@H]1CCC[C@@H]1F)c1cnn(C2CCCC2)c1 ZINC000340521926 1118316359 /nfs/dbraw/zinc/31/63/59/1118316359.db2.gz GZQLZFQMFGWFOO-CQDKDKBSSA-N 0 1 265.376 3.539 20 0 CHADMN F[C@@H]1CCC[C@H]1N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000340525475 1118317518 /nfs/dbraw/zinc/31/75/18/1118317518.db2.gz LGDFJEJQETWCPZ-RBSFLKMASA-N 0 1 275.367 3.913 20 0 CHADMN CC1(C)Cc2occc2[C@H](N[C@H]2CCC[C@@H]2F)C1 ZINC000340524438 1118317609 /nfs/dbraw/zinc/31/76/09/1118317609.db2.gz SCRHGQTWKMRSHC-RWMBFGLXSA-N 0 1 251.345 3.773 20 0 CHADMN C[C@H](NCc1nc2c(s1)CCCC2)c1ccccc1 ZINC000049866472 1118318224 /nfs/dbraw/zinc/31/82/24/1118318224.db2.gz IPFKKYWWBXESJF-LBPRGKRZSA-N 0 1 272.417 3.873 20 0 CHADMN Cc1ccc(CN2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1 ZINC000063581381 1118318517 /nfs/dbraw/zinc/31/85/17/1118318517.db2.gz MYVKKMOYYYTBIX-VQIMIIECSA-N 0 1 281.399 3.957 20 0 CHADMN CC(C)Oc1ccc(-c2csc([C@H](C)N)n2)cc1 ZINC000041162275 1118320283 /nfs/dbraw/zinc/32/02/83/1118320283.db2.gz METTVKYREGZHAO-JTQLQIEISA-N 0 1 262.378 3.617 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]1F)CCCO2 ZINC000340531713 1118322059 /nfs/dbraw/zinc/32/20/59/1118322059.db2.gz PVOAZWJRRINMEK-BFHYXJOUSA-N 0 1 267.319 3.520 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]1F)CCS2 ZINC000340534235 1118326908 /nfs/dbraw/zinc/32/69/08/1118326908.db2.gz ZBPHMWCCNQXSNG-UPJWGTAASA-N 0 1 269.360 3.843 20 0 CHADMN C[C@@H]1OCC[C@@]1(C)NCc1cc(Cl)sc1Cl ZINC000312631630 1118331145 /nfs/dbraw/zinc/33/11/45/1118331145.db2.gz URKRUEXNLOZQDM-WRWORJQWSA-N 0 1 280.220 3.712 20 0 CHADMN Cc1c(F)cccc1CN(C)CCC(=O)c1ccccc1 ZINC001204513273 1118331730 /nfs/dbraw/zinc/33/17/30/1118331730.db2.gz WVLOLJQVVIDLCK-UHFFFAOYSA-N 0 1 285.362 3.839 20 0 CHADMN CC[C@@H]1C[C@@H](C)CC[C@@H]1NCc1ncn(-c2ccccc2)n1 ZINC000340536717 1118331802 /nfs/dbraw/zinc/33/18/02/1118331802.db2.gz QPTJUNARYCWCRD-UXLLHSPISA-N 0 1 298.434 3.572 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@H](Cc3ccc(C)cc3)C2)o1 ZINC000065254029 1118332667 /nfs/dbraw/zinc/33/26/67/1118332667.db2.gz IRAUEALVLZEOIO-RHSMWYFYSA-N 0 1 299.418 3.702 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc(O)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746290 1118332765 /nfs/dbraw/zinc/33/27/65/1118332765.db2.gz GIQIRSUEDKFUHK-GHMZBOCLSA-N 0 1 298.342 3.651 20 0 CHADMN CC[C@H](C)C[C@H](CC)NCc1ncn(-c2ccccc2)n1 ZINC000340537638 1118333947 /nfs/dbraw/zinc/33/39/47/1118333947.db2.gz VUROUFRASGDDFN-GJZGRUSLSA-N 0 1 286.423 3.572 20 0 CHADMN c1ccc([C@H](N[C@H]2C=CCCC2)c2ccccn2)cc1 ZINC000066472982 1118345700 /nfs/dbraw/zinc/34/57/00/1118345700.db2.gz OIFWVMUJHJNXPG-WMZOPIPTSA-N 0 1 264.372 3.869 20 0 CHADMN COc1ccc(C)cc1CNCc1ccc2cnccc2c1 ZINC000683765654 1118346008 /nfs/dbraw/zinc/34/60/08/1118346008.db2.gz VVLJUNQFWKATOZ-UHFFFAOYSA-N 0 1 292.382 3.842 20 0 CHADMN COc1ccc(CNCc2ccc3cnccc3c2)c(F)c1 ZINC000683770869 1118352702 /nfs/dbraw/zinc/35/27/02/1118352702.db2.gz BUSKMRPQJNJFPW-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN O=c1cc(C2CC2)[nH]n1-c1ccc(Cl)c(Cl)c1 ZINC000116602865 1118355157 /nfs/dbraw/zinc/35/51/57/1118355157.db2.gz RKUOTAUDYOUVRC-UHFFFAOYSA-N 0 1 269.131 3.762 20 0 CHADMN Cc1cc(C)cc(CN2CCC(=O)[C@H]3CCCC[C@@H]32)c1 ZINC001204517950 1118360299 /nfs/dbraw/zinc/36/02/99/1118360299.db2.gz HCMIGJZBSPQVLG-IRXDYDNUSA-N 0 1 271.404 3.637 20 0 CHADMN CC[C@H]1CCCCN1Cc1nc(-c2ccc(F)cc2)no1 ZINC000072790545 1118375446 /nfs/dbraw/zinc/37/54/46/1118375446.db2.gz VFPFCMCKSQGDGC-AWEZNQCLSA-N 0 1 289.354 3.640 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000111312655 1118389777 /nfs/dbraw/zinc/38/97/77/1118389777.db2.gz BSSSRPWWIYWNDP-GFCCVEGCSA-N 0 1 289.400 3.588 20 0 CHADMN Fc1ccc(CNCc2ccnc3ccccc23)c(F)c1 ZINC000111763638 1118390437 /nfs/dbraw/zinc/39/04/37/1118390437.db2.gz JNFCOBJQKHPDJK-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN C[C@H](NC/C=C/c1ccccc1)c1nc2ccccc2n1C ZINC000124262179 1118391394 /nfs/dbraw/zinc/39/13/94/1118391394.db2.gz UYQAHCCJPRCJNV-SHQCLWGWSA-N 0 1 291.398 3.937 20 0 CHADMN c1ccc2c(c1)CN(Cc1ccc3cnccc3c1)CCO2 ZINC000683827201 1118392960 /nfs/dbraw/zinc/39/29/60/1118392960.db2.gz QRVDIOYPOGDSFD-UHFFFAOYSA-N 0 1 290.366 3.629 20 0 CHADMN c1ccc2c(c1)CN(Cc1ccc3cnccc3c1)C2 ZINC000683829263 1118395263 /nfs/dbraw/zinc/39/52/63/1118395263.db2.gz QEJCTPWWGMMQKG-UHFFFAOYSA-N 0 1 260.340 3.751 20 0 CHADMN CC(C)(C)[C@H]1CC[N@@H+](Cc2sccc2Cl)C[C@H]1O ZINC000683835100 1118401391 /nfs/dbraw/zinc/40/13/91/1118401391.db2.gz OJYCQJHYXDQWET-CMPLNLGQSA-N 0 1 287.856 3.630 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2sccc2Cl)C[C@H]1O ZINC000683835100 1118401394 /nfs/dbraw/zinc/40/13/94/1118401394.db2.gz OJYCQJHYXDQWET-CMPLNLGQSA-N 0 1 287.856 3.630 20 0 CHADMN CCCOc1cccc(CN[C@H](COC)c2ccccc2)c1 ZINC000113355482 1118402843 /nfs/dbraw/zinc/40/28/43/1118402843.db2.gz LSBYOGQZNYWETF-LJQANCHMSA-N 0 1 299.414 3.953 20 0 CHADMN CCOc1c(Cl)cccc1C[N@H+]1CCC[C@@H](OC)CC1 ZINC000683837421 1118402922 /nfs/dbraw/zinc/40/29/22/1118402922.db2.gz GGBPYYPNKCTKPM-CQSZACIVSA-N 0 1 297.826 3.740 20 0 CHADMN CN(C)c1cc[nH+]cc1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210923979 1118422932 /nfs/dbraw/zinc/42/29/32/1118422932.db2.gz AWPITSADMISSFW-UHFFFAOYSA-N 0 1 298.173 3.904 20 0 CHADMN CC(=Nc1ccnc(Br)c1)c1ccccc1 ZINC001210981608 1118434343 /nfs/dbraw/zinc/43/43/43/1118434343.db2.gz KBAORSIOWUISTN-UHFFFAOYSA-N 0 1 275.149 3.927 20 0 CHADMN CC[C@@]1(NCc2c(Cl)cccc2Cl)CCOC1 ZINC000393479476 1118438234 /nfs/dbraw/zinc/43/82/34/1118438234.db2.gz JMRAATSELSFXIR-CYBMUJFWSA-N 0 1 274.191 3.652 20 0 CHADMN COCC[C@@H](NCc1cc2ccccc2[nH]1)c1ccco1 ZINC000683930772 1118449107 /nfs/dbraw/zinc/44/91/07/1118449107.db2.gz YVJTYEWRQFAWIF-MRXNPFEDSA-N 0 1 284.359 3.628 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2cc3ccccc3[nH]2)n[nH]1 ZINC000683931230 1118450033 /nfs/dbraw/zinc/45/00/33/1118450033.db2.gz WWXPNANMOYVYEQ-NWDGAFQWSA-N 0 1 297.406 3.650 20 0 CHADMN Cc1cccc(C[C@@]2(C)CCC[N@H+]2CCCCC(=O)[O-])c1 ZINC000634697524 1118457776 /nfs/dbraw/zinc/45/77/76/1118457776.db2.gz LLOCQTAWTQTYRX-GOSISDBHSA-N 0 1 289.419 3.647 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CCCc1ccc(Cl)cc1 ZINC000565662668 1118458650 /nfs/dbraw/zinc/45/86/50/1118458650.db2.gz IOUCHDFGZHEWRP-OAHLLOKOSA-N 0 1 297.826 3.704 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000634697933 1118458702 /nfs/dbraw/zinc/45/87/02/1118458702.db2.gz WJKDNYYDSBZBCK-OAHLLOKOSA-N 0 1 267.413 3.534 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](C)c2c(C)noc2C)ccc1F ZINC000153790632 1118464023 /nfs/dbraw/zinc/46/40/23/1118464023.db2.gz XQFWXZHCSLAMNN-ZJUUUORDSA-N 0 1 292.354 3.851 20 0 CHADMN CC[C@@H]1CCCN1Cc1cnc(Br)c(C)c1 ZINC001167412866 1118467738 /nfs/dbraw/zinc/46/77/38/1118467738.db2.gz RPVLASOXSSENMD-GFCCVEGCSA-N 0 1 283.213 3.527 20 0 CHADMN Cc1ccc([C@@H](C)N(C)CC(=O)N(C(C)C)C(C)C)cc1 ZINC000047959665 1118481877 /nfs/dbraw/zinc/48/18/77/1118481877.db2.gz MOZUNQRXNGIHFI-MRXNPFEDSA-N 0 1 290.451 3.633 20 0 CHADMN Cn1cncc1Nc1ccccc1SC(F)(F)F ZINC001211249366 1118487804 /nfs/dbraw/zinc/48/78/04/1118487804.db2.gz PQLKIRARBQUDJD-UHFFFAOYSA-N 0 1 273.283 3.776 20 0 CHADMN Cn1cncc1Nc1cccc(-c2cccs2)c1 ZINC001211252893 1118488298 /nfs/dbraw/zinc/48/82/98/1118488298.db2.gz ZTJSYCRJVSKGJF-UHFFFAOYSA-N 0 1 255.346 3.892 20 0 CHADMN CS[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(F)c2F)C1 ZINC000075921752 1118495804 /nfs/dbraw/zinc/49/58/04/1118495804.db2.gz ZTXVWPHHIOYORP-RYUDHWBXSA-N 0 1 271.376 3.681 20 0 CHADMN Cc1cccc(-c2noc(CN3C[C@H](C)C[C@H](C)C3)n2)c1 ZINC000048060648 1118507078 /nfs/dbraw/zinc/50/70/78/1118507078.db2.gz SNJZDFKWTQYDBP-OKILXGFUSA-N 0 1 285.391 3.523 20 0 CHADMN CCC(C)(C)CC[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000580838898 1118512416 /nfs/dbraw/zinc/51/24/16/1118512416.db2.gz WMKMDLQTXSVYCP-GOSISDBHSA-N 0 1 289.419 3.541 20 0 CHADMN CC1(C)CCc2onc(CN3CCC[C@H]4CCC[C@H]43)c2C1 ZINC001167438960 1118522207 /nfs/dbraw/zinc/52/22/07/1118522207.db2.gz RPJLCOOUZXPJMV-CZUORRHYSA-N 0 1 288.435 3.954 20 0 CHADMN c1nc2ccc(NCc3nc4c(s3)CCCC4)cc2[nH]1 ZINC000642796822 1118527067 /nfs/dbraw/zinc/52/70/67/1118527067.db2.gz NIFQFRPNVLGHQH-UHFFFAOYSA-N 0 1 284.388 3.510 20 0 CHADMN COc1cc(F)c(F)cc1C[N@H+]1CCC[C@](C)(F)CC1 ZINC001143387430 1118535787 /nfs/dbraw/zinc/53/57/87/1118535787.db2.gz IALAXKNPGPULRP-HNNXBMFYSA-N 0 1 287.325 3.688 20 0 CHADMN COc1cc(F)c(F)cc1CN1CCC[C@](C)(F)CC1 ZINC001143387430 1118535793 /nfs/dbraw/zinc/53/57/93/1118535793.db2.gz IALAXKNPGPULRP-HNNXBMFYSA-N 0 1 287.325 3.688 20 0 CHADMN O=C(CN[C@H](c1cccs1)C1CC1)c1ccccc1F ZINC000639563223 1118537715 /nfs/dbraw/zinc/53/77/15/1118537715.db2.gz SCQWUCFRNYJKFB-INIZCTEOSA-N 0 1 289.375 3.811 20 0 CHADMN C[C@@H](NCCOC1CCC1)c1nc2ccccc2s1 ZINC000690709670 1118567308 /nfs/dbraw/zinc/56/73/08/1118567308.db2.gz VNROEYKTLYIMLH-LLVKDONJSA-N 0 1 276.405 3.516 20 0 CHADMN CN(Cc1ccc(-c2ccccn2)cc1)C1CC(F)(F)C1 ZINC001140376450 1118576200 /nfs/dbraw/zinc/57/62/00/1118576200.db2.gz CJPVMAURPSYQLD-UHFFFAOYSA-N 0 1 288.341 3.978 20 0 CHADMN Cc1cccc(F)c1NC(=O)c1ccc(Cl)cc1O ZINC000164819821 1118576940 /nfs/dbraw/zinc/57/69/40/1118576940.db2.gz YOUMGUKHUGLIDR-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN CCn1ccnc1CN1CCCC[C@@H]1CCc1ccccc1 ZINC000341004818 1118578850 /nfs/dbraw/zinc/57/88/50/1118578850.db2.gz CRVWQZBAOLFNRH-GOSISDBHSA-N 0 1 297.446 3.890 20 0 CHADMN C/C=C/c1ccc(NS(=O)(=O)c2cc(C)oc2C)cc1 ZINC000341035916 1118591785 /nfs/dbraw/zinc/59/17/85/1118591785.db2.gz FOZKEYBTONKFIT-SNAWJCMRSA-N 0 1 291.372 3.730 20 0 CHADMN COc1ccc(CN2CCC[C@H]2c2ccc(OC)cc2)o1 ZINC000891396883 1118595159 /nfs/dbraw/zinc/59/51/59/1118595159.db2.gz GGILUUDOMTVKQU-INIZCTEOSA-N 0 1 287.359 3.634 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2ccc(C3CC3)cc2)n1 ZINC000656561059 1118595805 /nfs/dbraw/zinc/59/58/05/1118595805.db2.gz PDFBDRJYNSERFA-AWEZNQCLSA-N 0 1 271.364 3.660 20 0 CHADMN Cn1cc(CN2CCC[C@H]2c2ccc[nH]2)c(C2CCCC2)n1 ZINC000891404245 1118598596 /nfs/dbraw/zinc/59/85/96/1118598596.db2.gz DYOIDKLKMZWAAE-KRWDZBQOSA-N 0 1 298.434 3.743 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C=Cc3cccs3)ccc12 ZINC000180332727 1128788197 /nfs/dbraw/zinc/78/81/97/1128788197.db2.gz VJGBZAAECSAXHI-FNORWQNLSA-N 0 1 283.356 3.585 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc3c(c2)ncn3C)c(C)o1 ZINC000341185300 1118612453 /nfs/dbraw/zinc/61/24/53/1118612453.db2.gz KJGRSESVIOTBQG-LBPRGKRZSA-N 0 1 283.375 3.634 20 0 CHADMN Cc1cc(Nc2cc(Cl)cc3[nH]ncc32)ccc1O ZINC001215858653 1118612659 /nfs/dbraw/zinc/61/26/59/1118612659.db2.gz AEFPFPFRUVHUNA-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN CCOC(CN[C@@H](C)c1oc2ccccc2c1C)OCC ZINC000093447066 1118613497 /nfs/dbraw/zinc/61/34/97/1118613497.db2.gz MJLBSJRSKZQHGV-ZDUSSCGKSA-N 0 1 291.391 3.791 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000073779249 1118616859 /nfs/dbraw/zinc/61/68/59/1118616859.db2.gz WMNHOKHIMANJJP-SNVBAGLBSA-N 0 1 291.782 3.620 20 0 CHADMN COc1cc(CN2Cc3ccccc3C[C@@H]2C)ccc1F ZINC001204564524 1118619805 /nfs/dbraw/zinc/61/98/05/1118619805.db2.gz VXXYDNLCBPDNOZ-ZDUSSCGKSA-N 0 1 285.362 3.781 20 0 CHADMN COCc1csc(CN[C@H](C)c2ccccc2F)c1 ZINC000656685560 1118636742 /nfs/dbraw/zinc/63/67/42/1118636742.db2.gz UHHAWLYOCMRLCG-LLVKDONJSA-N 0 1 279.380 3.884 20 0 CHADMN Cc1cc(CN2CC(CC(F)(F)F)C2)cc2cccnc12 ZINC000656688132 1118637767 /nfs/dbraw/zinc/63/77/67/1118637767.db2.gz ITVYKGMTEZLYMB-UHFFFAOYSA-N 0 1 294.320 3.927 20 0 CHADMN Cc1ccc(CNCc2cc(F)c(F)c(F)c2)cc1F ZINC000076396006 1118646616 /nfs/dbraw/zinc/64/66/16/1118646616.db2.gz RUZINFVEXMFNDC-UHFFFAOYSA-N 0 1 283.268 3.841 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccccc2OC(F)F)s1 ZINC000090401073 1118648299 /nfs/dbraw/zinc/64/82/99/1118648299.db2.gz VEIAVZLLWSXEKX-SECBINFHSA-N 0 1 298.358 3.904 20 0 CHADMN Clc1cc(CN2CCC23CCCCC3)ccn1 ZINC000707141184 1118648706 /nfs/dbraw/zinc/64/87/06/1118648706.db2.gz VOYGCYCBWCWVGX-UHFFFAOYSA-N 0 1 250.773 3.644 20 0 CHADMN O=C([O-])c1occc1C[N@H+]1CCCC2(CCCC2)CC1 ZINC000656758774 1118650226 /nfs/dbraw/zinc/65/02/26/1118650226.db2.gz ONQAKBKKATYHKO-UHFFFAOYSA-N 0 1 277.364 3.524 20 0 CHADMN CC[C@@H](C)[N@@H+](CC)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000656757959 1118650411 /nfs/dbraw/zinc/65/04/11/1118650411.db2.gz XEWCGRZCEWTFKL-SNVBAGLBSA-N 0 1 269.772 3.659 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCCC2CCCC2)[C@@H]2CCCC[C@@H]12 ZINC000656763987 1118651494 /nfs/dbraw/zinc/65/14/94/1118651494.db2.gz DQHUJDAVUVCFNV-GVDBMIGSSA-N 0 1 293.451 3.922 20 0 CHADMN Cc1ccc(CN[C@H](c2ccccn2)C(C)C)cc1[N+](=O)[O-] ZINC000076902245 1128791738 /nfs/dbraw/zinc/79/17/38/1128791738.db2.gz BRTHQTALFDBVEG-KRWDZBQOSA-N 0 1 299.374 3.785 20 0 CHADMN CCc1ccc(C)nc1NCc1cnn(C(C)(C)C)c1 ZINC000656777825 1118656230 /nfs/dbraw/zinc/65/62/30/1118656230.db2.gz CYNWDZRVJCIAEN-UHFFFAOYSA-N 0 1 272.396 3.516 20 0 CHADMN Nc1cccc(CNCc2ccccc2OC2CCCC2)c1 ZINC000656787432 1118659013 /nfs/dbraw/zinc/65/90/13/1118659013.db2.gz KNDOKSXXTDYCRK-UHFFFAOYSA-N 0 1 296.414 3.880 20 0 CHADMN CO[C@@H]1C[C@H](N[C@H](c2ccco2)c2ccccc2)C12CCC2 ZINC000308386274 1118659978 /nfs/dbraw/zinc/65/99/78/1118659978.db2.gz DTJWPLUQCSFLSH-KSZLIROESA-N 0 1 297.398 3.916 20 0 CHADMN CCc1cnc(CN[C@H](C)C2CCC(F)(F)CC2)o1 ZINC000684395571 1118678465 /nfs/dbraw/zinc/67/84/65/1118678465.db2.gz VHCIMTIFCUGECS-SNVBAGLBSA-N 0 1 272.339 3.541 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC(C(C)(C)C)CC2)c1 ZINC000341377356 1118680241 /nfs/dbraw/zinc/68/02/41/1118680241.db2.gz CECABIOHSPMRDW-UHFFFAOYSA-N 0 1 299.418 3.770 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1cccc(=O)[nH]1 ZINC000933394986 1118684289 /nfs/dbraw/zinc/68/42/89/1118684289.db2.gz CJFPCUNJNBUHRW-NSHDSACASA-N 0 1 276.767 3.634 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933395435 1118684449 /nfs/dbraw/zinc/68/44/49/1118684449.db2.gz KJVCADVNPJEBAU-LLVKDONJSA-N 0 1 276.767 3.634 20 0 CHADMN C[C@H](c1cccc(Cl)c1)N(C)Cc1cccc(=O)[nH]1 ZINC000933395435 1118684451 /nfs/dbraw/zinc/68/44/51/1118684451.db2.gz KJVCADVNPJEBAU-LLVKDONJSA-N 0 1 276.767 3.634 20 0 CHADMN CC(C)C1CN(Cc2c(F)cccc2N2CCCC2)C1 ZINC000684408231 1118685424 /nfs/dbraw/zinc/68/54/24/1118685424.db2.gz GVFIXMRAXLEXIO-UHFFFAOYSA-N 0 1 276.399 3.514 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cc2ccccc2[nH]1 ZINC000684410881 1118686093 /nfs/dbraw/zinc/68/60/93/1118686093.db2.gz BWTCVKMEGUWDQI-ZWNOBZJWSA-N 0 1 282.309 3.941 20 0 CHADMN Clc1oc2ccccc2c1CN1CC([C@@H]2CCOC2)C1 ZINC000684415129 1118688044 /nfs/dbraw/zinc/68/80/44/1118688044.db2.gz CNJQKRCAYWZLIA-LLVKDONJSA-N 0 1 291.778 3.555 20 0 CHADMN COc1ccc([C@@H](C)[C@H](C)NC(C)(C)C(F)F)cc1 ZINC000684413944 1118688401 /nfs/dbraw/zinc/68/84/01/1118688401.db2.gz MTKKDZPPGJSGSF-QWRGUYRKSA-N 0 1 271.351 3.821 20 0 CHADMN Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)nc1Cl ZINC001167482373 1118692313 /nfs/dbraw/zinc/69/23/13/1118692313.db2.gz JUAWNIKZZPQXBF-PWSUYJOCSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](C)[C@@H]2C)nc1Cl ZINC001167482373 1118692315 /nfs/dbraw/zinc/69/23/15/1118692315.db2.gz JUAWNIKZZPQXBF-PWSUYJOCSA-N 0 1 252.789 3.664 20 0 CHADMN C[C@H](NCc1ccccc1C1CC1)c1cncc(F)c1 ZINC000656900628 1118693188 /nfs/dbraw/zinc/69/31/88/1118693188.db2.gz ZUJSXIWAMWFGHF-LBPRGKRZSA-N 0 1 270.351 3.949 20 0 CHADMN Cn1cc(CN2CCC[C@@H]2c2ccc(F)cc2)c(C2CC2)n1 ZINC000891548940 1118707919 /nfs/dbraw/zinc/70/79/19/1118707919.db2.gz DXNVMEGUMBDWJW-QGZVFWFLSA-N 0 1 299.393 3.774 20 0 CHADMN CCn1cc(CN2CCC[C@H]2c2ccsc2)c(C)n1 ZINC000891616795 1118722104 /nfs/dbraw/zinc/72/21/04/1118722104.db2.gz AMAGQTFMIMLBRV-HNNXBMFYSA-N 0 1 275.421 3.610 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1Oc1ccccc1 ZINC000650517440 1118722554 /nfs/dbraw/zinc/72/25/54/1118722554.db2.gz LMLCDYPBWKJKLD-INIZCTEOSA-N 0 1 299.370 3.774 20 0 CHADMN c1cn(C2CC2)c(CN(C2CC2)C2CCCCC2)n1 ZINC000891625260 1118724667 /nfs/dbraw/zinc/72/46/67/1118724667.db2.gz NEWZOQNTYPHWNK-UHFFFAOYSA-N 0 1 259.397 3.515 20 0 CHADMN CC(C)N(Cc1cccs1)Cc1cn2ccnc2s1 ZINC000891627434 1118725612 /nfs/dbraw/zinc/72/56/12/1118725612.db2.gz WYKZAUFOBPXWDH-UHFFFAOYSA-N 0 1 291.445 3.868 20 0 CHADMN CC(C)N(Cc1cccs1)Cc1cnn(C)c1C1CC1 ZINC000891626296 1118726018 /nfs/dbraw/zinc/72/60/18/1118726018.db2.gz ITQYXOHKPISRSG-UHFFFAOYSA-N 0 1 289.448 3.770 20 0 CHADMN COCc1cc(CN[C@@H](C)c2cnc(C)s2)ccc1F ZINC000090417549 1118732964 /nfs/dbraw/zinc/73/29/64/1118732964.db2.gz AHHNLUQBAGOJEW-JTQLQIEISA-N 0 1 294.395 3.588 20 0 CHADMN Cc1c([C@H](C)NC/C=C\Cl)cnn1-c1ccc(F)cc1 ZINC000588437205 1118737151 /nfs/dbraw/zinc/73/71/51/1118737151.db2.gz ZHKQJGOQLBOFGB-DZHRUPLWSA-N 0 1 293.773 3.723 20 0 CHADMN C[C@@H](CCNC(=O)c1ccc2cncn2c1)CC(C)(C)C ZINC000341573549 1118744064 /nfs/dbraw/zinc/74/40/64/1118744064.db2.gz DZTLZIPQAHSLRY-ZDUSSCGKSA-N 0 1 287.407 3.527 20 0 CHADMN Cc1nocc1CN[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000293468188 1118746558 /nfs/dbraw/zinc/74/65/58/1118746558.db2.gz DTHWKCJPSLKMFZ-HNNXBMFYSA-N 0 1 276.355 3.999 20 0 CHADMN CCC(O)(CC)CCNCc1c(F)cccc1Cl ZINC000471827204 1118749568 /nfs/dbraw/zinc/74/95/68/1118749568.db2.gz PECSWAIKKYNXDM-UHFFFAOYSA-N 0 1 273.779 3.510 20 0 CHADMN CC(C)N(Cc1cc(O)cc(Cl)c1)Cc1ccccn1 ZINC000891744772 1118755915 /nfs/dbraw/zinc/75/59/15/1118755915.db2.gz ZROLEQQJXMVJJN-UHFFFAOYSA-N 0 1 290.794 3.851 20 0 CHADMN Oc1ccc(CNCc2ccccc2OC(F)(F)F)cc1 ZINC000130987188 1118758790 /nfs/dbraw/zinc/75/87/90/1118758790.db2.gz JVTFHOJYQQERGO-UHFFFAOYSA-N 0 1 297.276 3.581 20 0 CHADMN Cc1cc([C@H](C)NCc2c(C)nn(C)c2Cl)c(C)s1 ZINC000131523650 1118761277 /nfs/dbraw/zinc/76/12/77/1118761277.db2.gz CUGCOZGSOHRIGT-VIFPVBQESA-N 0 1 297.855 3.911 20 0 CHADMN C1=C[C@H]([N@@H+]2CCSC3(CCCCC3)C2)CCC1 ZINC000430757663 1118767655 /nfs/dbraw/zinc/76/76/55/1118767655.db2.gz GURZJSSEIOCAHF-AWEZNQCLSA-N 0 1 251.439 3.847 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000213398769 1118772918 /nfs/dbraw/zinc/77/29/18/1118772918.db2.gz FLOODZWJDSAQMR-OAHLLOKOSA-N 0 1 261.365 3.539 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2cnc(C(C)(C)C)s2)C1 ZINC000430878604 1118782675 /nfs/dbraw/zinc/78/26/75/1118782675.db2.gz JKBYQYUKDJKAMG-LLVKDONJSA-N 0 1 264.438 3.839 20 0 CHADMN Cc1cc(CN[C@H](CC(C)C)c2ccccc2C)nn1C ZINC000341662262 1118788555 /nfs/dbraw/zinc/78/85/55/1118788555.db2.gz VZUWXEBZCRIQTH-GOSISDBHSA-N 0 1 285.435 3.914 20 0 CHADMN CC[C@H](N[C@@H](C)C1CCC(F)(F)CC1)C(F)F ZINC000449358108 1118792033 /nfs/dbraw/zinc/79/20/33/1118792033.db2.gz DVCNNHDVPWVGFA-WPRPVWTQSA-N 0 1 255.299 3.834 20 0 CHADMN CCC[C@H](CC)SCc1n[nH]c(C(C)(C)C)n1 ZINC000430980118 1118803918 /nfs/dbraw/zinc/80/39/18/1118803918.db2.gz YPNQCANMBYGCLG-JTQLQIEISA-N 0 1 255.431 3.914 20 0 CHADMN CC(C)CN(CCc1ccccc1)Cc1nc(C2CC2)no1 ZINC000341705767 1118805254 /nfs/dbraw/zinc/80/52/54/1118805254.db2.gz JSCGPLHTUSLJHG-UHFFFAOYSA-N 0 1 299.418 3.648 20 0 CHADMN CC[C@@H](NCc1snnc1C)c1cccc(Cl)c1 ZINC000293903525 1118808195 /nfs/dbraw/zinc/80/81/95/1118808195.db2.gz ZRWCIDZFWOAILI-GFCCVEGCSA-N 0 1 281.812 3.741 20 0 CHADMN CCC(CC)N(C)Cc1c(F)c(F)ccc1OC ZINC001143412635 1118826278 /nfs/dbraw/zinc/82/62/78/1118826278.db2.gz CUCGLICFKQUSHN-UHFFFAOYSA-N 0 1 257.324 3.594 20 0 CHADMN Cc1nc([C@H](C)NCC2=CCCCC2)c(C)s1 ZINC000379566056 1128803214 /nfs/dbraw/zinc/80/32/14/1128803214.db2.gz GZKGOULSGSBKRL-JTQLQIEISA-N 0 1 250.411 3.911 20 0 CHADMN CN(Cc1ccsc1)c1cc[nH+]c2c([O-])cccc12 ZINC000684566646 1118848694 /nfs/dbraw/zinc/84/86/94/1118848694.db2.gz UBTCCAGVFCJMTG-UHFFFAOYSA-N 0 1 270.357 3.638 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(F)F)c(F)c2)CCS1 ZINC000891924482 1118852230 /nfs/dbraw/zinc/85/22/30/1118852230.db2.gz PEXYXQVSVZHUDO-SECBINFHSA-N 0 1 275.339 3.701 20 0 CHADMN COc1ccccc1/C=C/CN(C)CCC(F)(F)F ZINC000092479038 1118851678 /nfs/dbraw/zinc/85/16/78/1118851678.db2.gz BFFUDOIIMOVLQO-FNORWQNLSA-N 0 1 273.298 3.593 20 0 CHADMN CC[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)C[C@H](C)O1 ZINC000092487114 1118851816 /nfs/dbraw/zinc/85/18/16/1118851816.db2.gz NADLDSJUXYQNEQ-HNAYVOBHSA-N 0 1 296.414 3.748 20 0 CHADMN Cc1nc(C2(NC[C@@H]3CCC[C@H](C)C3)CCCC2)no1 ZINC000092564622 1118856128 /nfs/dbraw/zinc/85/61/28/1118856128.db2.gz UMADXEBDPKVHNF-GXTWGEPZSA-N 0 1 277.412 3.563 20 0 CHADMN COC(=O)[C@H](CC(C)C)NC1CC(C)(C)CC(C)(C)C1 ZINC000129659003 1118876861 /nfs/dbraw/zinc/87/68/61/1118876861.db2.gz SANSDRBRFQAXEO-AWEZNQCLSA-N 0 1 283.456 3.769 20 0 CHADMN C[C@]1(F)CCN(CCCOc2ccc(Cl)cc2)C1 ZINC000535757304 1118883399 /nfs/dbraw/zinc/88/33/99/1118883399.db2.gz MEEQBSLZOQPMKN-AWEZNQCLSA-N 0 1 271.763 3.543 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1N[C@H](C)c1cscn1 ZINC000535777937 1118883971 /nfs/dbraw/zinc/88/39/71/1118883971.db2.gz UCDQKIAKSXSOGY-NTZNESFSSA-N 0 1 270.467 3.858 20 0 CHADMN CCc1ccc(CN2CCC[C@@H]2c2ccccn2)o1 ZINC000535785583 1118885772 /nfs/dbraw/zinc/88/57/72/1118885772.db2.gz YGQCTPDERKYDDV-MRXNPFEDSA-N 0 1 256.349 3.574 20 0 CHADMN Fc1cccc2c1CN(C[C@@H]1CCOc3ccccc31)C2 ZINC000657140303 1118888336 /nfs/dbraw/zinc/88/83/36/1118888336.db2.gz ZGPOEPZDQLGTFH-AWEZNQCLSA-N 0 1 283.346 3.708 20 0 CHADMN FC1(c2cccc(Cl)c2)CC(NCc2nccs2)C1 ZINC000684608358 1118895616 /nfs/dbraw/zinc/89/56/16/1118895616.db2.gz JOQHNAHQYFEZTH-UHFFFAOYSA-N 0 1 296.798 3.914 20 0 CHADMN Cn1ccc(CN2CCCCC[C@H]2/C=C\c2ccccc2)n1 ZINC000535825597 1118901807 /nfs/dbraw/zinc/90/18/07/1118901807.db2.gz HWUUHXBCPLVBIO-JZHDPFOFSA-N 0 1 295.430 3.878 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN1C[C@H](C)S[C@@H](C)C1 ZINC000535825477 1118901896 /nfs/dbraw/zinc/90/18/96/1118901896.db2.gz ZOEOISACLPOAQA-RYUDHWBXSA-N 0 1 295.496 3.581 20 0 CHADMN Cc1ccc2nc(SCc3cc(C)nc(C)n3)[nH]c2c1 ZINC000657228377 1118926498 /nfs/dbraw/zinc/92/64/98/1118926498.db2.gz RDEGSTXTOFIPQZ-UHFFFAOYSA-N 0 1 284.388 3.570 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cnc(C)s2)cc1Cl ZINC000090469021 1118930039 /nfs/dbraw/zinc/93/00/39/1118930039.db2.gz YKSGDZHJJGMWFX-VIFPVBQESA-N 0 1 296.823 3.964 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCC3CC=CC3)n2)o1 ZINC000657243271 1118932209 /nfs/dbraw/zinc/93/22/09/1118932209.db2.gz RFXXWXRMTUHERD-HJWRWDBZSA-N 0 1 287.388 3.935 20 0 CHADMN CO[C@@H](CSc1nc(C(C)(C)C)n[nH]1)C1CCCCC1 ZINC000657243345 1118932338 /nfs/dbraw/zinc/93/23/38/1118932338.db2.gz SSHVPBOVFFQHIQ-LBPRGKRZSA-N 0 1 297.468 3.790 20 0 CHADMN CO[C@@H](CSc1n[nH]c(C(C)(C)C)n1)C1CCCCC1 ZINC000657243345 1118932342 /nfs/dbraw/zinc/93/23/42/1118932342.db2.gz SSHVPBOVFFQHIQ-LBPRGKRZSA-N 0 1 297.468 3.790 20 0 CHADMN CC(C)c1cccc(-c2ccc(N3CCN(C)CC3)nc2)c1 ZINC000222342098 1118935284 /nfs/dbraw/zinc/93/52/84/1118935284.db2.gz JZJDZNRCVHAJDW-UHFFFAOYSA-N 0 1 295.430 3.624 20 0 CHADMN CC[C@H](CC(F)F)Cn1c(C)nc2c1CCCC2 ZINC000657261551 1118941716 /nfs/dbraw/zinc/94/17/16/1118941716.db2.gz CROSWLWEIPTAKX-LLVKDONJSA-N 0 1 256.340 3.752 20 0 CHADMN CC[C@H](NCc1cccnc1C)c1ccc(F)cc1F ZINC000119576529 1118950427 /nfs/dbraw/zinc/95/04/27/1118950427.db2.gz DGUMRKWJTCKMTI-INIZCTEOSA-N 0 1 276.330 3.909 20 0 CHADMN C[C@H](N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ncco1 ZINC000926340856 1118951241 /nfs/dbraw/zinc/95/12/41/1118951241.db2.gz CRQWWSMTJILCBM-JKOKRWQUSA-N 0 1 276.767 3.925 20 0 CHADMN CC(C)(C)c1ccc(CN[C@@H](CO)c2ccsc2)s1 ZINC000472079092 1118959368 /nfs/dbraw/zinc/95/93/68/1118959368.db2.gz GCMOVTBGYRWGDB-ZDUSSCGKSA-N 0 1 295.473 3.930 20 0 CHADMN COC1CCC(CN2CCc3c4ccccc4[nH]c3C2)CC1 ZINC000892137178 1118982600 /nfs/dbraw/zinc/98/26/00/1118982600.db2.gz UGOPOQBKIXELQX-UHFFFAOYSA-N 0 1 298.430 3.731 20 0 CHADMN Oc1cccc2c1CC[C@@H]2NCc1cc(F)c(F)c(F)c1 ZINC000105486225 1118983043 /nfs/dbraw/zinc/98/30/43/1118983043.db2.gz RMNTWJNHZLANJG-AWEZNQCLSA-N 0 1 293.288 3.587 20 0 CHADMN CC(C)N1C(=O)CN(CC[C@H]2CCC[C@@H](C)C2)CC1(C)C ZINC001167525774 1118987164 /nfs/dbraw/zinc/98/71/64/1118987164.db2.gz JWMDRPZDLUAJMZ-HZPDHXFCSA-N 0 1 294.483 3.534 20 0 CHADMN CC(C)Oc1ncccc1CN[C@@H](C)c1ccc(F)cc1 ZINC000048760441 1118988512 /nfs/dbraw/zinc/98/85/12/1118988512.db2.gz KQPGDLVOLGTNEX-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN C[C@H]1CCN(Cc2cnn(C)c2C2CC2)[C@H](c2ccco2)C1 ZINC000892152794 1118988600 /nfs/dbraw/zinc/98/86/00/1118988600.db2.gz IVQOHAHYAXFVEP-BBRMVZONSA-N 0 1 299.418 3.864 20 0 CHADMN CCn1cc(CN2CC[C@H](C)C[C@H]2c2ccco2)c(C)n1 ZINC000892152327 1118988932 /nfs/dbraw/zinc/98/89/32/1118988932.db2.gz GOQQYRDXKNFGPD-BBRMVZONSA-N 0 1 287.407 3.778 20 0 CHADMN CCc1nnc(SCc2cc(Cl)cc(Cl)c2)[nH]1 ZINC000582031419 1118992417 /nfs/dbraw/zinc/99/24/17/1118992417.db2.gz IWSWLXAIOOTYLT-UHFFFAOYSA-N 0 1 288.203 3.966 20 0 CHADMN CCc1n[nH]c(SCc2cc(Cl)cc(Cl)c2)n1 ZINC000582031419 1118992418 /nfs/dbraw/zinc/99/24/18/1118992418.db2.gz IWSWLXAIOOTYLT-UHFFFAOYSA-N 0 1 288.203 3.966 20 0 CHADMN C[C@@H]1CCCN(Cc2nc3ccc(F)cc3o2)[C@@H]1C ZINC000342365921 1118992868 /nfs/dbraw/zinc/99/28/68/1118992868.db2.gz WVIQCTZVPUOXCW-GHMZBOCLSA-N 0 1 262.328 3.587 20 0 CHADMN COCc1csc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)c1 ZINC000657319464 1118998748 /nfs/dbraw/zinc/99/87/48/1118998748.db2.gz ZRUKNWLSKYDRAY-XHDPSFHLSA-N 0 1 291.416 3.901 20 0 CHADMN C[C@H]1CCC[C@H](NCc2nc(C(C)(C)C)co2)C1 ZINC000724427889 1118999574 /nfs/dbraw/zinc/99/95/74/1118999574.db2.gz CFRGNCHIOVJJSV-RYUDHWBXSA-N 0 1 250.386 3.640 20 0 CHADMN CC(C)(C)c1coc(CNCCC2CCCC2)n1 ZINC000724430448 1119002095 /nfs/dbraw/zinc/00/20/95/1119002095.db2.gz VFYIOLDAARGMGO-UHFFFAOYSA-N 0 1 250.386 3.642 20 0 CHADMN CC[C@@H]1C[C@H](NCc2nc3cc(Cl)ccc3s2)CO1 ZINC000657329667 1119006343 /nfs/dbraw/zinc/00/63/43/1119006343.db2.gz AUTQZZLCYSQHOX-WDEREUQCSA-N 0 1 296.823 3.607 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(F)c(F)c2F)cc1 ZINC000657335859 1119008787 /nfs/dbraw/zinc/00/87/87/1119008787.db2.gz JWDVVOBGOMFCHH-JTQLQIEISA-N 0 1 295.304 3.963 20 0 CHADMN CCOC(=O)[C@@H](CC(C)C)N1CCC(C2CCCC2)CC1 ZINC001167548663 1119011875 /nfs/dbraw/zinc/01/18/75/1119011875.db2.gz DVNRTVSKOJLZAI-QGZVFWFLSA-N 0 1 295.467 3.866 20 0 CHADMN CC(C)n1nccc1CN1CCCCC[C@H]1c1ccncc1 ZINC000375669523 1119014761 /nfs/dbraw/zinc/01/47/61/1119014761.db2.gz SDLUMSKMIJAUSG-SFHVURJKSA-N 0 1 298.434 3.976 20 0 CHADMN C[C@H](N[C@H]1CCC[C@@H]2C[C@@H]21)c1noc(-c2ccccc2)n1 ZINC000657347939 1119016876 /nfs/dbraw/zinc/01/68/76/1119016876.db2.gz ZWQNDQMFBQMRKO-ATGSNQNLSA-N 0 1 283.375 3.576 20 0 CHADMN COC[C@@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000119957048 1119028380 /nfs/dbraw/zinc/02/83/80/1119028380.db2.gz NFDVNVVSOHAAPX-LLVKDONJSA-N 0 1 288.218 3.852 20 0 CHADMN Cc1ccccc1[C@@H]1CCC[N@H+]1CCCCCC(=O)[O-] ZINC000582186633 1119031254 /nfs/dbraw/zinc/03/12/54/1119031254.db2.gz KFTHKYJFCZOSFN-INIZCTEOSA-N 0 1 275.392 3.777 20 0 CHADMN Cc1ccccc1[C@H]1CCC[N@H+]1CCCCCC(=O)[O-] ZINC000582186634 1119031350 /nfs/dbraw/zinc/03/13/50/1119031350.db2.gz KFTHKYJFCZOSFN-MRXNPFEDSA-N 0 1 275.392 3.777 20 0 CHADMN C[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ncccc2[O-])C1 ZINC000582208183 1119033412 /nfs/dbraw/zinc/03/34/12/1119033412.db2.gz KUIXJIUWNXVYLI-YOEHRIQHSA-N 0 1 282.387 3.760 20 0 CHADMN C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ncccc2[O-])C1 ZINC000582208183 1119033417 /nfs/dbraw/zinc/03/34/17/1119033417.db2.gz KUIXJIUWNXVYLI-YOEHRIQHSA-N 0 1 282.387 3.760 20 0 CHADMN CCCn1nccc1CNC1(c2ccc(Cl)cc2)CC1 ZINC000657373186 1119038165 /nfs/dbraw/zinc/03/81/65/1119038165.db2.gz WUEKHENHQWZYSX-UHFFFAOYSA-N 0 1 289.810 3.725 20 0 CHADMN CC[C@@H](NCc1cccc(C)n1)c1ccccc1OC ZINC000051575216 1119047032 /nfs/dbraw/zinc/04/70/32/1119047032.db2.gz RKDLXQZGKRXTEV-MRXNPFEDSA-N 0 1 270.376 3.640 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)n1 ZINC000628144364 1128818266 /nfs/dbraw/zinc/81/82/66/1128818266.db2.gz ZXEDEBAITLZMPQ-OAHLLOKOSA-N 0 1 294.402 3.579 20 0 CHADMN CCn1cc([C@@H](C)N[C@@H]2CCSc3ccccc32)cn1 ZINC000044498081 1119057229 /nfs/dbraw/zinc/05/72/29/1119057229.db2.gz BZBWIWXMBKTGIQ-IUODEOHRSA-N 0 1 287.432 3.791 20 0 CHADMN Cc1cccc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1C ZINC000135051454 1119064563 /nfs/dbraw/zinc/06/45/63/1119064563.db2.gz ZEMYLGQIWWJOJN-INIZCTEOSA-N 0 1 289.419 3.626 20 0 CHADMN NC1(c2noc(Cc3cccc(C4CC4)c3)n2)CCCCC1 ZINC000582414791 1119074799 /nfs/dbraw/zinc/07/47/99/1119074799.db2.gz LWSGHIJVDZJJBY-UHFFFAOYSA-N 0 1 297.402 3.656 20 0 CHADMN c1ccc2sc(CN3CC[C@H](c4cccnc4)C3)nc2c1 ZINC000582418223 1119075306 /nfs/dbraw/zinc/07/53/06/1119075306.db2.gz MHFYNTUULDMJHJ-AWEZNQCLSA-N 0 1 295.411 3.681 20 0 CHADMN Cc1cc(C)c(CN2CC[C@H]2c2ccccc2)c(C)n1 ZINC001167576437 1119089203 /nfs/dbraw/zinc/08/92/03/1119089203.db2.gz MPOBIBNENZSKCS-SFHVURJKSA-N 0 1 266.388 3.954 20 0 CHADMN CC(C)c1cccc(CNCc2c(C3CC3)cnn2C)c1 ZINC000657437714 1119091141 /nfs/dbraw/zinc/09/11/41/1119091141.db2.gz RUTBDZAEGVMFEH-UHFFFAOYSA-N 0 1 283.419 3.711 20 0 CHADMN Cc1nccc(N2CC[C@@H](Cc3ccncc3)C2)c1Cl ZINC000684890317 1119095824 /nfs/dbraw/zinc/09/58/24/1119095824.db2.gz LININUVAFMJKAF-AWEZNQCLSA-N 0 1 287.794 3.507 20 0 CHADMN CCCCCCC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000127763060 1119099655 /nfs/dbraw/zinc/09/96/55/1119099655.db2.gz YEAGRDDLDIQHLI-OAHLLOKOSA-N 0 1 292.423 3.503 20 0 CHADMN C[C@@H]1CCN(Cc2ncc(-c3ccccc3)s2)C1 ZINC000342636444 1119107504 /nfs/dbraw/zinc/10/75/04/1119107504.db2.gz NHKGWUGRQQTZIZ-GFCCVEGCSA-N 0 1 258.390 3.652 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccnn1CC1CC1)CCC2 ZINC000657457519 1119109839 /nfs/dbraw/zinc/10/98/39/1119109839.db2.gz XVLGBRVZXJOJMR-SFHVURJKSA-N 0 1 299.393 3.599 20 0 CHADMN CCCn1nccc1CN[C@H](C)c1ccccc1SC ZINC000657458662 1119110511 /nfs/dbraw/zinc/11/05/11/1119110511.db2.gz HNOUWXBENNERCI-CYBMUJFWSA-N 0 1 289.448 3.866 20 0 CHADMN C[C@@H](CF)NCc1cc2cc(Br)ccc2o1 ZINC000657466339 1119112769 /nfs/dbraw/zinc/11/27/69/1119112769.db2.gz GWDLVEVSSNPTAB-QMMMGPOBSA-N 0 1 286.144 3.643 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1[C@H](C)CCC[C@H]1C ZINC000342652519 1119113653 /nfs/dbraw/zinc/11/36/53/1119113653.db2.gz AYWKYHDLQWRHGX-CHWSQXEVSA-N 0 1 289.398 3.958 20 0 CHADMN Cc1ccccc1OCCN[C@@H](C)c1cccnc1Cl ZINC000161329784 1119121198 /nfs/dbraw/zinc/12/11/98/1119121198.db2.gz LNGBVIHCWBGFHX-ZDUSSCGKSA-N 0 1 290.794 3.773 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(F)cc1)Cc1cccc2nccn21 ZINC000342679824 1119122793 /nfs/dbraw/zinc/12/27/93/1119122793.db2.gz GDGPXRFWHVSSQE-UHFFFAOYSA-N 0 1 297.377 3.884 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)NCC[C@@H](C)F)n2)ccc1F ZINC000375719336 1119124895 /nfs/dbraw/zinc/12/48/95/1119124895.db2.gz WFYMRBKGKQRUIZ-GHMZBOCLSA-N 0 1 295.333 3.583 20 0 CHADMN COCC[C@@H]1CCCCN(Cc2csc(C3CC3)n2)C1 ZINC000342707089 1119133751 /nfs/dbraw/zinc/13/37/51/1119133751.db2.gz WFZFAWIINBRUME-ZDUSSCGKSA-N 0 1 294.464 3.659 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@]3(CCCc4ccccc43)C2)n1 ZINC000628186839 1128824164 /nfs/dbraw/zinc/82/41/64/1128824164.db2.gz XRTQBPHCGOVPGP-LJQANCHMSA-N 0 1 295.430 3.588 20 0 CHADMN Fc1cccc2c1CC[C@H]2N[C@H]1CCCc2cccnc21 ZINC000684954679 1119140022 /nfs/dbraw/zinc/14/00/22/1119140022.db2.gz CPVPUFWBIZEPOC-SJORKVTESA-N 0 1 282.362 3.875 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)N1C[C@H]2CCC[C@@H]2C1 ZINC000152906992 1119140585 /nfs/dbraw/zinc/14/05/85/1119140585.db2.gz YEZSIFXICOPNJN-QJPTWQEYSA-N 0 1 289.404 3.591 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@H]2CCCc3cccnc32)cn1 ZINC000684956336 1119141562 /nfs/dbraw/zinc/14/15/62/1119141562.db2.gz AYDZRJBSTXCWOG-BBRMVZONSA-N 0 1 284.407 3.587 20 0 CHADMN COc1ccc(CN[C@@H]2CCCc3cccnc32)c(C)c1 ZINC000684960169 1119143801 /nfs/dbraw/zinc/14/38/01/1119143801.db2.gz TXMOUPCMTHTGEY-QGZVFWFLSA-N 0 1 282.387 3.566 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000684964626 1119145041 /nfs/dbraw/zinc/14/50/41/1119145041.db2.gz OBYKXGCCDIAEOW-GOSISDBHSA-N 0 1 299.418 3.815 20 0 CHADMN c1cnc2ccc(CN[C@@H]3CCCc4cccnc43)cc2c1 ZINC000684963908 1119146224 /nfs/dbraw/zinc/14/62/24/1119146224.db2.gz QNJPVJDGCAPIQM-GOSISDBHSA-N 0 1 289.382 3.797 20 0 CHADMN Cc1nc(CN[C@@H](c2ccc(F)cc2)C(C)C)[nH]c1C ZINC000563438542 1119155248 /nfs/dbraw/zinc/15/52/48/1119155248.db2.gz BNUXFQJVWIMEMM-MRXNPFEDSA-N 0 1 275.371 3.653 20 0 CHADMN CCOc1cccc(Cl)c1C[N@H+]1CC[C@H](C)C1 ZINC001167603253 1119162044 /nfs/dbraw/zinc/16/20/44/1119162044.db2.gz VADIYOJNQXOKAG-NSHDSACASA-N 0 1 253.773 3.581 20 0 CHADMN CCOc1cccc(Cl)c1CN1CC[C@H](C)C1 ZINC001167603253 1119162047 /nfs/dbraw/zinc/16/20/47/1119162047.db2.gz VADIYOJNQXOKAG-NSHDSACASA-N 0 1 253.773 3.581 20 0 CHADMN OCCC1(CNc2ccnc3cc(F)ccc32)CCCC1 ZINC000075064170 1119170225 /nfs/dbraw/zinc/17/02/25/1119170225.db2.gz VUMDTAJMSJLMFO-UHFFFAOYSA-N 0 1 288.366 3.729 20 0 CHADMN Cc1cnc(CN(C)[C@@H](c2ccccc2C)C(C)C)n1C ZINC000342798045 1119174589 /nfs/dbraw/zinc/17/45/89/1119174589.db2.gz IPHSAWFXDSAIKL-GOSISDBHSA-N 0 1 285.435 3.866 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000153159578 1119177141 /nfs/dbraw/zinc/17/71/41/1119177141.db2.gz DXZQUEBQBINQPM-LALPHHSUSA-N 0 1 281.346 3.527 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CCC(O)(CC)CC1 ZINC000075859382 1119179779 /nfs/dbraw/zinc/17/97/79/1119179779.db2.gz BGPAIRKLHJOBHH-OAHLLOKOSA-N 0 1 283.362 3.653 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN1CCC(C)(C)C1 ZINC000076013919 1119181524 /nfs/dbraw/zinc/18/15/24/1119181524.db2.gz CJQBBXSHCLQQDW-UHFFFAOYSA-N 0 1 276.405 3.943 20 0 CHADMN Cc1ccccc1-c1cnc(CN2CCC[C@@H]2C)o1 ZINC000076117744 1119182899 /nfs/dbraw/zinc/18/28/99/1119182899.db2.gz WVQACBPFWAVQKN-ZDUSSCGKSA-N 0 1 256.349 3.634 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(OC(C)C)cc2)nc(C)n1 ZINC000342806512 1119183225 /nfs/dbraw/zinc/18/32/25/1119183225.db2.gz RQWWTAWJBVJJNZ-CQSZACIVSA-N 0 1 299.418 3.731 20 0 CHADMN CC[C@@H](NCc1cc(C)nc(C)n1)c1ccc(C)cc1 ZINC000342808579 1119183721 /nfs/dbraw/zinc/18/37/21/1119183721.db2.gz DKOHDETVBHGERE-QGZVFWFLSA-N 0 1 269.392 3.643 20 0 CHADMN COc1ccc([C@H](NCc2cc(C)nc(C)n2)C(C)C)cc1 ZINC000342808519 1119185234 /nfs/dbraw/zinc/18/52/34/1119185234.db2.gz CSKIUXBCSQLIIW-GOSISDBHSA-N 0 1 299.418 3.589 20 0 CHADMN CN(Cc1cnc(C(C)(C)C)nc1)[C@@H]1CCc2ccccc21 ZINC000342810849 1119186601 /nfs/dbraw/zinc/18/66/01/1119186601.db2.gz XIEGMDVXEIHWSI-QGZVFWFLSA-N 0 1 295.430 3.893 20 0 CHADMN CCc1ncc(CNCc2ccc3occc3c2)s1 ZINC000657584203 1119197636 /nfs/dbraw/zinc/19/76/36/1119197636.db2.gz BOOGEXPQJJVJEK-UHFFFAOYSA-N 0 1 272.373 3.742 20 0 CHADMN Cc1nn(C(C)C)cc1CNCc1ccc2occc2c1 ZINC000657584904 1119199001 /nfs/dbraw/zinc/19/90/01/1119199001.db2.gz KOHMIWHERMGRBU-UHFFFAOYSA-N 0 1 283.375 3.808 20 0 CHADMN Cc1nc(C)c(CNCc2cc3c(s2)CCCC3)o1 ZINC000628209744 1128828514 /nfs/dbraw/zinc/82/85/14/1128828514.db2.gz RJHNWXHFUZOUGI-UHFFFAOYSA-N 0 1 276.405 3.522 20 0 CHADMN CC(C)[C@@H]1CCN1Cc1c[nH]nc1-c1c(F)cccc1F ZINC000342847561 1119206438 /nfs/dbraw/zinc/20/64/38/1119206438.db2.gz DFDISDBJTQWHHN-AWEZNQCLSA-N 0 1 291.345 3.585 20 0 CHADMN COC[C@H](NCc1sccc1C)c1cccc(OC)c1 ZINC000657611024 1119207037 /nfs/dbraw/zinc/20/70/37/1119207037.db2.gz IVLRLANUVSFCSH-HNNXBMFYSA-N 0 1 291.416 3.542 20 0 CHADMN Cc1ccncc1CNc1nccc(C)c1C1CC1 ZINC000657613011 1119207588 /nfs/dbraw/zinc/20/75/88/1119207588.db2.gz UIUOUCFXLVXGNJ-UHFFFAOYSA-N 0 1 253.349 3.583 20 0 CHADMN C=Cn1cc(CN[C@H](c2ccccc2F)C(C)C)cn1 ZINC000657616409 1119208247 /nfs/dbraw/zinc/20/82/47/1119208247.db2.gz XTXVXVANSCVJBA-INIZCTEOSA-N 0 1 273.355 3.610 20 0 CHADMN CC(C)[C@@H](NCc1cccnc1)c1ccccc1F ZINC000657614326 1119209040 /nfs/dbraw/zinc/20/90/40/1119209040.db2.gz AXHUGYXHFRQOHA-MRXNPFEDSA-N 0 1 258.340 3.708 20 0 CHADMN CCc1cccc(CN[C@H](COC)c2cccc(OC)c2)c1 ZINC000657613583 1119209342 /nfs/dbraw/zinc/20/93/42/1119209342.db2.gz WPZFGAYSQRMOGD-LJQANCHMSA-N 0 1 299.414 3.735 20 0 CHADMN CC(C)[C@@H]1CCN1Cc1coc(-c2ccccc2)n1 ZINC000342859873 1119212274 /nfs/dbraw/zinc/21/22/74/1119212274.db2.gz IDYNURVDZRNDGU-HNNXBMFYSA-N 0 1 256.349 3.572 20 0 CHADMN CCc1noc(C)c1CN1CCCC[C@H]1c1cccn1C ZINC000119555383 1119216077 /nfs/dbraw/zinc/21/60/77/1119216077.db2.gz MJGKKEISXSMAFT-KRWDZBQOSA-N 0 1 287.407 3.611 20 0 CHADMN Cc1cc(CNCc2ccco2)cc(C)c1OC(F)F ZINC000119583392 1119217209 /nfs/dbraw/zinc/21/72/09/1119217209.db2.gz XOFRKEXLLYAUKZ-UHFFFAOYSA-N 0 1 281.302 3.788 20 0 CHADMN CC(C)[N@@H+](Cc1csc(C(C)(C)C)n1)C1CCOCC1 ZINC000119573078 1119217438 /nfs/dbraw/zinc/21/74/38/1119217438.db2.gz VWZKWVIZNVPADS-UHFFFAOYSA-N 0 1 296.480 3.830 20 0 CHADMN CC(C)N(Cc1csc(C(C)(C)C)n1)C1CCOCC1 ZINC000119573078 1119217441 /nfs/dbraw/zinc/21/74/41/1119217441.db2.gz VWZKWVIZNVPADS-UHFFFAOYSA-N 0 1 296.480 3.830 20 0 CHADMN CC(C)(C)OCCCNCc1csc(C(C)(C)C)n1 ZINC000657638804 1119218177 /nfs/dbraw/zinc/21/81/77/1119218177.db2.gz XDRCLLLXPVJAOP-UHFFFAOYSA-N 0 1 284.469 3.735 20 0 CHADMN Cc1ccc2oc(CNCc3ccnn3CC(C)C)cc2c1 ZINC000657652419 1119223853 /nfs/dbraw/zinc/22/38/53/1119223853.db2.gz LPDXNXBSWYIBLU-UHFFFAOYSA-N 0 1 297.402 3.884 20 0 CHADMN COCc1csc(CNCc2ccc(F)cc2Cl)c1 ZINC000657659509 1119228336 /nfs/dbraw/zinc/22/83/36/1119228336.db2.gz JXQQHMLUXQRVES-UHFFFAOYSA-N 0 1 299.798 3.977 20 0 CHADMN C[C@@H](N[C@@H](c1nccn1C)C1CC1)c1ccc(Cl)cc1 ZINC000353040391 1119237994 /nfs/dbraw/zinc/23/79/94/1119237994.db2.gz UDFLKJQYBGAPDI-IAQYHMDHSA-N 0 1 289.810 3.875 20 0 CHADMN CN(Cc1nc2c(s1)CCCC2)C[C@]1(C)CCCS1 ZINC000628171835 1119240069 /nfs/dbraw/zinc/24/00/69/1119240069.db2.gz OFZIPPFDMRCIHE-HNNXBMFYSA-N 0 1 296.505 3.739 20 0 CHADMN CCc1ccc(NC(=O)c2c(C)n[nH]c2C(C)C)cc1F ZINC000120608635 1119244561 /nfs/dbraw/zinc/24/45/61/1119244561.db2.gz BXCHHKVVEFFJHE-UHFFFAOYSA-N 0 1 289.354 3.795 20 0 CHADMN Cc1cc(Br)ccc1CN1CC(C2CC2)C1 ZINC000643345301 1119248667 /nfs/dbraw/zinc/24/86/67/1119248667.db2.gz OJWCBGCJNVNPKC-UHFFFAOYSA-N 0 1 280.209 3.599 20 0 CHADMN Cc1ccc([C@H]2CCCCN2Cc2cncnc2)cc1 ZINC000125907598 1119249821 /nfs/dbraw/zinc/24/98/21/1119249821.db2.gz DSCGDARGIHXJBT-QGZVFWFLSA-N 0 1 267.376 3.512 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000078741115 1119251100 /nfs/dbraw/zinc/25/11/00/1119251100.db2.gz FDZPQVSPICFUET-SNVBAGLBSA-N 0 1 291.782 3.620 20 0 CHADMN CCc1ccc([C@@H](CO)N[C@H]2CCc3ccc(F)cc32)cc1 ZINC000090844484 1119251875 /nfs/dbraw/zinc/25/18/75/1119251875.db2.gz IFUDNJLMCVQYLH-RBUKOAKNSA-N 0 1 299.389 3.699 20 0 CHADMN C[C@@H]1CCC[C@@H](CCN2CCO[C@@H](c3ccco3)C2)C1 ZINC001167635922 1119252515 /nfs/dbraw/zinc/25/25/15/1119252515.db2.gz OTCYCQVKUWJGHP-HLLBOEOZSA-N 0 1 277.408 3.869 20 0 CHADMN CC(C)CC1CCN([C@@H](C)C(=O)Nc2ccccc2)CC1 ZINC001167636967 1119254272 /nfs/dbraw/zinc/25/42/72/1119254272.db2.gz ZZLRFBSGXSCHOW-HNNXBMFYSA-N 0 1 288.435 3.772 20 0 CHADMN C[C@@H](N[C@H]1CCOC1)c1cc(Cl)cc(Cl)c1F ZINC000692390049 1119254983 /nfs/dbraw/zinc/25/49/83/1119254983.db2.gz LOHMLNZVMXEVTR-APPZFPTMSA-N 0 1 278.154 3.572 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1ncc(COC)s1)C1CC1 ZINC000342937068 1119255981 /nfs/dbraw/zinc/25/59/81/1119255981.db2.gz AHTCEGLJMHQKAI-NWDGAFQWSA-N 0 1 282.453 3.689 20 0 CHADMN Cc1csc(CN[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)n1 ZINC000657707514 1119263983 /nfs/dbraw/zinc/26/39/83/1119263983.db2.gz HTKNEMKGQVPUQW-CHWSQXEVSA-N 0 1 294.464 3.667 20 0 CHADMN Cc1c[nH]c(CN(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000628185120 1119266594 /nfs/dbraw/zinc/26/65/94/1119266594.db2.gz LXKSOVULAWXUJA-CHWSQXEVSA-N 0 1 291.826 3.996 20 0 CHADMN Fc1cnc(Cl)cc1CN1CCC[C@H]2CCC[C@@H]21 ZINC001140610405 1119267376 /nfs/dbraw/zinc/26/73/76/1119267376.db2.gz FNMUSVZRMWILAM-MFKMUULPSA-N 0 1 268.763 3.639 20 0 CHADMN Cc1nc([C@H]2CCCN2Cc2cccc3n[nH]cc32)cs1 ZINC000628240662 1128833498 /nfs/dbraw/zinc/83/34/98/1128833498.db2.gz OAGDEKRFWAXZFF-MRXNPFEDSA-N 0 1 298.415 3.665 20 0 CHADMN CO[C@@H]1CCCN(Cc2csc(C(F)(F)F)c2)CC1 ZINC000628236410 1128833566 /nfs/dbraw/zinc/83/35/66/1128833566.db2.gz AESIGTKNTBGHPG-LLVKDONJSA-N 0 1 293.354 3.768 20 0 CHADMN CCCN(Cc1cnc(C)o1)[C@H]1CCCc2cccnc21 ZINC000628240377 1128833966 /nfs/dbraw/zinc/83/39/66/1128833966.db2.gz BSVNGUHMMZSBOJ-INIZCTEOSA-N 0 1 285.391 3.668 20 0 CHADMN c1cc2c(o1)CCC[C@H]2N[C@@H]1CCCc2cccnc21 ZINC000091660459 1119277415 /nfs/dbraw/zinc/27/74/15/1119277415.db2.gz HJZODECLIDONLY-HUUCEWRRSA-N 0 1 268.360 3.719 20 0 CHADMN CCN(Cc1ccc(C)nc1)Cc1cccc(F)c1 ZINC000153708448 1119281583 /nfs/dbraw/zinc/28/15/83/1119281583.db2.gz GYLBPBOUYADVTO-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(C)nc2)cc1 ZINC000153728056 1119282815 /nfs/dbraw/zinc/28/28/15/1119282815.db2.gz GQIIKNOVMBLDLG-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2ccc(C)nc2)cc1 ZINC000153728056 1119282819 /nfs/dbraw/zinc/28/28/19/1119282819.db2.gz GQIIKNOVMBLDLG-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN COc1ccccc1[C@H]1CCCN1Cc1ccc(C)nc1 ZINC000153839705 1119291023 /nfs/dbraw/zinc/29/10/23/1119291023.db2.gz JLKKBLQDFYJSQP-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN Fc1ccc(Cl)cc1CSc1nc(C2CC2)n[nH]1 ZINC000188908367 1119303911 /nfs/dbraw/zinc/30/39/11/1119303911.db2.gz LUTVIJFTZJPIJC-UHFFFAOYSA-N 0 1 283.759 3.767 20 0 CHADMN Fc1ccc(Cl)cc1CSc1n[nH]c(C2CC2)n1 ZINC000188908367 1119303914 /nfs/dbraw/zinc/30/39/14/1119303914.db2.gz LUTVIJFTZJPIJC-UHFFFAOYSA-N 0 1 283.759 3.767 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C(C)C)C3CCC3)n[nH]2)cc1 ZINC000154237311 1119305631 /nfs/dbraw/zinc/30/56/31/1119305631.db2.gz NFUIDBCYRQNQAE-UHFFFAOYSA-N 0 1 297.402 3.788 20 0 CHADMN CC1(C)[C@@H](CNCc2coc(-c3ccccc3)n2)C1(F)F ZINC000657738599 1119305740 /nfs/dbraw/zinc/30/57/40/1119305740.db2.gz QVEMOOUJOOCETG-CYBMUJFWSA-N 0 1 292.329 3.723 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccnc2N(C)C)c(C)s1 ZINC000154728333 1119318099 /nfs/dbraw/zinc/31/80/99/1119318099.db2.gz NFDSIQPXKBACAA-GFCCVEGCSA-N 0 1 289.448 3.677 20 0 CHADMN CC(C)O[C@@H](CN(C)Cc1ccco1)c1ccccc1 ZINC000428480159 1119324644 /nfs/dbraw/zinc/32/46/44/1119324644.db2.gz BMNSYOHGGNYFHM-KRWDZBQOSA-N 0 1 273.376 3.878 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@H](C)c2c(C)noc2C)s1 ZINC000092327685 1119328017 /nfs/dbraw/zinc/32/80/17/1119328017.db2.gz QIKRVJMQTLNLJN-VXNVDRBHSA-N 0 1 279.409 3.777 20 0 CHADMN Cc1cc(-c2noc([C@H](C)N(C)CC3CC3)n2)ccc1F ZINC000080049005 1119335815 /nfs/dbraw/zinc/33/58/15/1119335815.db2.gz GDPRYTMAHLVCAK-NSHDSACASA-N 0 1 289.354 3.587 20 0 CHADMN CC(C)Oc1ccc(F)c(Nc2cc(=O)[nH]c(Cl)n2)c1 ZINC001212310744 1128839094 /nfs/dbraw/zinc/83/90/94/1128839094.db2.gz USHKSZIXIMTTKX-UHFFFAOYSA-N 0 1 297.717 3.506 20 0 CHADMN c1ccc([C@H]2CN([C@@H]3C=CCCCCC3)CCO2)cc1 ZINC000583329028 1119341580 /nfs/dbraw/zinc/34/15/80/1119341580.db2.gz UUCQSCQRBRVNPQ-QZTJIDSGSA-N 0 1 271.404 3.949 20 0 CHADMN Oc1c(Cl)cccc1NC(=S)Nc1ccccc1 ZINC000168950856 1128839391 /nfs/dbraw/zinc/83/93/91/1128839391.db2.gz RDBUYKYOUHROPF-UHFFFAOYSA-N 0 1 278.764 3.855 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2ccc(COC)o2)c1 ZINC000126284724 1119345645 /nfs/dbraw/zinc/34/56/45/1119345645.db2.gz JJUSCFXSNSQRBE-CYBMUJFWSA-N 0 1 289.375 3.676 20 0 CHADMN Cc1cccc2c(=O)c(C(=O)N(C)CC3CCCC3)c[nH]c12 ZINC000155916075 1119345810 /nfs/dbraw/zinc/34/58/10/1119345810.db2.gz CQIQONRKJFZYHV-UHFFFAOYSA-N 0 1 298.386 3.511 20 0 CHADMN CCSc1cccc(CNCc2ccc3cc[nH]c3n2)c1 ZINC000353228069 1119347753 /nfs/dbraw/zinc/34/77/53/1119347753.db2.gz PXRSODBKPKOCAF-UHFFFAOYSA-N 0 1 297.427 3.965 20 0 CHADMN CCN(CCC(F)(F)F)CC1=Cc2ccccc2OC1 ZINC000092753783 1119347840 /nfs/dbraw/zinc/34/78/40/1119347840.db2.gz YHVXGBSBRJQEBR-UHFFFAOYSA-N 0 1 285.309 3.737 20 0 CHADMN C[C@@H](c1cccnc1)N(C)CCOC1CCCCCC1 ZINC000093233841 1119357692 /nfs/dbraw/zinc/35/76/92/1119357692.db2.gz LWRDQNRPRZZTKM-HNNXBMFYSA-N 0 1 276.424 3.814 20 0 CHADMN Cc1cccc(OCCN2CC=C(C(F)(F)F)CC2)c1 ZINC000536033724 1119360788 /nfs/dbraw/zinc/36/07/88/1119360788.db2.gz ARKOLJRELCJOQE-UHFFFAOYSA-N 0 1 285.309 3.568 20 0 CHADMN Cc1nc(C)c(CNCc2ccc3sccc3c2)o1 ZINC000628284224 1128841451 /nfs/dbraw/zinc/84/14/51/1128841451.db2.gz CXFJXCVIQLZHMY-UHFFFAOYSA-N 0 1 272.373 3.796 20 0 CHADMN CCc1ccc(C)[nH+]c1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211591812 1119388370 /nfs/dbraw/zinc/38/83/70/1119388370.db2.gz CUMAWNQIMRKCJO-UHFFFAOYSA-N 0 1 270.332 3.703 20 0 CHADMN CO[C@@H](CNCc1ncc(C(C)C)s1)C1CCCCC1 ZINC000657782313 1119394810 /nfs/dbraw/zinc/39/48/10/1119394810.db2.gz MDKXKZZYHMAOFU-AWEZNQCLSA-N 0 1 296.480 3.951 20 0 CHADMN Cc1ccc(Br)cc1CN1CCC[C@@H]2C[C@@H]21 ZINC001140650607 1119395392 /nfs/dbraw/zinc/39/53/92/1119395392.db2.gz YELJLUFZJKNVFP-RISCZKNCSA-N 0 1 280.209 3.742 20 0 CHADMN CCc1noc(C)c1CN[C@H](CC(C)C)c1ccncc1 ZINC000647305198 1119398882 /nfs/dbraw/zinc/39/88/82/1119398882.db2.gz VPVWYXXEALUAJL-QGZVFWFLSA-N 0 1 287.407 3.817 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1noc(-c2ccccc2C)n1 ZINC000661232641 1119400415 /nfs/dbraw/zinc/40/04/15/1119400415.db2.gz KIEQBLQDFNTOJA-ZDUSSCGKSA-N 0 1 287.407 3.959 20 0 CHADMN Cc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1Cl ZINC000343375443 1119402909 /nfs/dbraw/zinc/40/29/09/1119402909.db2.gz DKUZPQFAZYTGBL-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN c1cc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)cs1 ZINC000583784509 1119412650 /nfs/dbraw/zinc/41/26/50/1119412650.db2.gz GXWNWFBJFNIDNA-KRWDZBQOSA-N 0 1 285.412 3.718 20 0 CHADMN Fc1c(Cl)cccc1CN1CC[C@H](c2cccnc2)C1 ZINC000583810481 1119416862 /nfs/dbraw/zinc/41/68/62/1119416862.db2.gz QCHOUAVLJSCSEA-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000583817930 1119417886 /nfs/dbraw/zinc/41/78/86/1119417886.db2.gz HSMVGYWZYYMLIN-LRDDRELGSA-N 0 1 293.382 3.925 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2NCc1cn2ccccc2n1 ZINC000657797900 1119419217 /nfs/dbraw/zinc/41/92/17/1119419217.db2.gz NMHCNPHMMXZWMX-SFHVURJKSA-N 0 1 291.398 3.810 20 0 CHADMN CCc1nocc1CN[C@H]1CCCc2c(C)cccc21 ZINC000657797291 1119419521 /nfs/dbraw/zinc/41/95/21/1119419521.db2.gz KMWUUKQQVKKJKK-KRWDZBQOSA-N 0 1 270.376 3.713 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2NCc1ccncc1F ZINC000657799382 1119422412 /nfs/dbraw/zinc/42/24/12/1119422412.db2.gz VXTGIDOXPDGNKZ-KRWDZBQOSA-N 0 1 270.351 3.696 20 0 CHADMN COc1cccc(CNCc2ccccc2Cl)c1C ZINC000657801713 1119425477 /nfs/dbraw/zinc/42/54/77/1119425477.db2.gz FQNCHTFAHTVOIN-UHFFFAOYSA-N 0 1 275.779 3.947 20 0 CHADMN CCOc1ccccc1CNCc1cccc(OC)c1C ZINC000657801730 1119425914 /nfs/dbraw/zinc/42/59/14/1119425914.db2.gz GSVUCWTYISMTBJ-UHFFFAOYSA-N 0 1 285.387 3.692 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1cnc(C)o1 ZINC000628136087 1119427631 /nfs/dbraw/zinc/42/76/31/1119427631.db2.gz QKKARMZMHNADMW-QGZVFWFLSA-N 0 1 286.375 3.501 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1cnc(C)o1 ZINC000628136087 1119427633 /nfs/dbraw/zinc/42/76/33/1119427633.db2.gz QKKARMZMHNADMW-QGZVFWFLSA-N 0 1 286.375 3.501 20 0 CHADMN C[C@H](C1CC1)[N@@H+](C)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000583906114 1119432809 /nfs/dbraw/zinc/43/28/09/1119432809.db2.gz MFVUCHZXIHFSAP-GFCCVEGCSA-N 0 1 289.810 3.756 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000583906114 1119432812 /nfs/dbraw/zinc/43/28/12/1119432812.db2.gz MFVUCHZXIHFSAP-GFCCVEGCSA-N 0 1 289.810 3.756 20 0 CHADMN CCc1ccc(CNCc2cc3ccccc3[nH]2)o1 ZINC000131621009 1119432927 /nfs/dbraw/zinc/43/29/27/1119432927.db2.gz SRMQSQOPOSDVCT-UHFFFAOYSA-N 0 1 254.333 3.613 20 0 CHADMN Cc1cc(CN2C[C@H](C)OC3(CCC3)C2)cc2cccnc12 ZINC000583935488 1119435782 /nfs/dbraw/zinc/43/57/82/1119435782.db2.gz UCVMSMIXKZLMRR-HNNXBMFYSA-N 0 1 296.414 3.687 20 0 CHADMN C[C@@H]1CCCN(Cc2ncc(-c3ccccc3F)o2)C1 ZINC000158207583 1119437629 /nfs/dbraw/zinc/43/76/29/1119437629.db2.gz FTFJMSXCQYFTGP-GFCCVEGCSA-N 0 1 274.339 3.713 20 0 CHADMN CC1CCN(Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000158258690 1119439239 /nfs/dbraw/zinc/43/92/39/1119439239.db2.gz PEWURFIAJMCNDM-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN C[C@H](N[C@H]1CCCN(C)c2ccccc21)c1ccns1 ZINC000926542970 1119447327 /nfs/dbraw/zinc/44/73/27/1119447327.db2.gz ZUWBXAUEVRTOJU-JSGCOSHPSA-N 0 1 287.432 3.765 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccc(F)c(C)c2)c1 ZINC000343543848 1119448122 /nfs/dbraw/zinc/44/81/22/1119448122.db2.gz MITBQUMIIDSWAR-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cn1ccc(CN[C@@H]2CC(C)(C)Oc3cc(F)ccc32)c1 ZINC000158519286 1119455913 /nfs/dbraw/zinc/45/59/13/1119455913.db2.gz XQVKEZRKFWWIRA-OAHLLOKOSA-N 0 1 288.366 3.556 20 0 CHADMN Cc1ncc(CN(C)[C@H](C)CSc2ccccc2)o1 ZINC000628323247 1128847215 /nfs/dbraw/zinc/84/72/15/1128847215.db2.gz IIUCYVPQJWKOQV-GFCCVEGCSA-N 0 1 276.405 3.596 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccn1)c1ccc(C(F)F)nc1 ZINC000657818515 1119457592 /nfs/dbraw/zinc/45/75/92/1119457592.db2.gz UIPCTOYVZGJGHZ-QWRGUYRKSA-N 0 1 277.318 3.826 20 0 CHADMN CCCn1c(C)nnc1CN(CCC(C)C)C1CCCC1 ZINC000343576330 1119458203 /nfs/dbraw/zinc/45/82/03/1119458203.db2.gz GTKOLDWTANTFFB-UHFFFAOYSA-N 0 1 292.471 3.787 20 0 CHADMN C[C@@H](NCc1ccn(C)c1)c1ccc(F)cc1OC(F)F ZINC000158575815 1119458767 /nfs/dbraw/zinc/45/87/67/1119458767.db2.gz UVAMGPXDWOBQTC-SNVBAGLBSA-N 0 1 298.308 3.616 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(C(F)F)nc1)c1cccnc1 ZINC000657824503 1119468389 /nfs/dbraw/zinc/46/83/89/1119468389.db2.gz JNCWBRLXXVOKRN-GHMZBOCLSA-N 0 1 277.318 3.826 20 0 CHADMN COc1ccc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(F)c1 ZINC000628391915 1128852870 /nfs/dbraw/zinc/85/28/70/1128852870.db2.gz HWOYZEGOUXQJGJ-PHIMTYICSA-N 0 1 287.325 3.557 20 0 CHADMN CC(C)C[C@@H]1CCCCCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC000343622513 1119473579 /nfs/dbraw/zinc/47/35/79/1119473579.db2.gz KJKXLXKOGCWZOO-AWEZNQCLSA-N 0 1 289.423 3.718 20 0 CHADMN c1coc([C@H](N[C@H]2COC3(CCC3)C2)c2ccccc2)c1 ZINC000657827348 1119474454 /nfs/dbraw/zinc/47/44/54/1119474454.db2.gz NCDVZRALBQZRCB-NVXWUHKLSA-N 0 1 283.371 3.670 20 0 CHADMN Cc1ccc(C(=O)CCN(C)[C@@H](C)c2ccco2)cc1 ZINC000158941585 1119477206 /nfs/dbraw/zinc/47/72/06/1119477206.db2.gz YAWMHYDEAULULZ-AWEZNQCLSA-N 0 1 271.360 3.854 20 0 CHADMN CCOc1ncccc1CN[C@H](C)c1ccccc1C ZINC000158936466 1119477929 /nfs/dbraw/zinc/47/79/29/1119477929.db2.gz GPVQKJTYQZJPBO-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN CCCN(CC)[C@H](C)c1nc(-c2cccs2)no1 ZINC000343652073 1119480949 /nfs/dbraw/zinc/48/09/49/1119480949.db2.gz LKRZQWLVBKQPCN-SNVBAGLBSA-N 0 1 265.382 3.591 20 0 CHADMN Brc1ccc2c(c1)CC[C@H]2NCc1ccoc1 ZINC000134287798 1119482617 /nfs/dbraw/zinc/48/26/17/1119482617.db2.gz CMQQPKGAVCASJU-CQSZACIVSA-N 0 1 292.176 3.819 20 0 CHADMN C[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000565107591 1119482697 /nfs/dbraw/zinc/48/26/97/1119482697.db2.gz QLEVKODAFOJWSR-GOSISDBHSA-N 0 1 299.370 3.575 20 0 CHADMN C[C@H](NCc1ccc(-c2cccnc2)cc1)c1ccccn1 ZINC000159269865 1119488234 /nfs/dbraw/zinc/48/82/34/1119488234.db2.gz JBMCVQWSKVNELY-HNNXBMFYSA-N 0 1 289.382 3.994 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@@H]2c2cc(C)ccc2C)n1 ZINC000628185387 1119497510 /nfs/dbraw/zinc/49/75/10/1119497510.db2.gz XIBHGCKRPMVHDR-MRXNPFEDSA-N 0 1 269.392 3.672 20 0 CHADMN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1cnc(C2CC2)o1 ZINC000628191022 1119503328 /nfs/dbraw/zinc/50/33/28/1119503328.db2.gz XMYCRGPJLINECM-GJZGRUSLSA-N 0 1 292.423 3.578 20 0 CHADMN CN(Cc1ccno1)C1c2ccccc2-c2ccccc21 ZINC000081596927 1119519072 /nfs/dbraw/zinc/51/90/72/1119519072.db2.gz IWSQYRNWPATKQN-UHFFFAOYSA-N 0 1 276.339 3.876 20 0 CHADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]C[C@H]2CCCC(C)(C)C2)n1 ZINC000628374870 1128852173 /nfs/dbraw/zinc/85/21/73/1128852173.db2.gz IQLACLWEONTPCS-ZDUSSCGKSA-N 0 1 291.439 3.532 20 0 CHADMN Cc1occc1CN[C@H](C)c1ccc(C(F)F)nc1 ZINC000657858450 1119534104 /nfs/dbraw/zinc/53/41/04/1119534104.db2.gz YSDFRHRYKWONNM-SECBINFHSA-N 0 1 266.291 3.771 20 0 CHADMN COCC[C@@H](C)Sc1nc2ccc(Cl)cc2[nH]1 ZINC000088484247 1119538808 /nfs/dbraw/zinc/53/88/08/1119538808.db2.gz HFISVGWFNBDBTJ-MRVPVSSYSA-N 0 1 270.785 3.733 20 0 CHADMN C[C@@H](N[C@H]1CCc2ccc(F)cc21)c1cncc(F)c1 ZINC000089552364 1119542412 /nfs/dbraw/zinc/54/24/12/1119542412.db2.gz QPYKRRNCMYJYOB-HWPZZCPQSA-N 0 1 274.314 3.698 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc3c(c1)OCO3)CO2 ZINC000090452858 1119544166 /nfs/dbraw/zinc/54/41/66/1119544166.db2.gz IYHXCLVNXNSLFP-DOMZBBRYSA-N 0 1 297.354 3.508 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccccc1N(C)C)CO2 ZINC000090452200 1119544607 /nfs/dbraw/zinc/54/46/07/1119544607.db2.gz RRLLYMQYUSYYHR-PBHICJAKSA-N 0 1 296.414 3.845 20 0 CHADMN C[C@@H]1CCC[C@@H](C)C1NCc1noc(-c2ccccc2)n1 ZINC000584436977 1119545615 /nfs/dbraw/zinc/54/56/15/1119545615.db2.gz LACTXKXVMIEKDU-CHWSQXEVSA-N 0 1 285.391 3.651 20 0 CHADMN COc1cc([C@@H](C)N[C@H](C)c2cncc(F)c2)ccc1F ZINC000090956813 1119547050 /nfs/dbraw/zinc/54/70/50/1119547050.db2.gz MBBJJIHYGNAILG-GHMZBOCLSA-N 0 1 292.329 3.780 20 0 CHADMN CCc1ccc([C@H](CO)N[C@@H](C)c2ccccc2F)cc1 ZINC000090844383 1119550309 /nfs/dbraw/zinc/55/03/09/1119550309.db2.gz BNXJPXIVMCYFTD-UGSOOPFHSA-N 0 1 287.378 3.772 20 0 CHADMN CC(C)[C@H](NCc1ccccc1F)c1cccnc1 ZINC000091263193 1119554231 /nfs/dbraw/zinc/55/42/31/1119554231.db2.gz IRTSIUFNJMYUGL-INIZCTEOSA-N 0 1 258.340 3.708 20 0 CHADMN CCCOc1ncccc1CN[C@H](c1cccnc1)C(C)C ZINC000091308157 1119554505 /nfs/dbraw/zinc/55/45/05/1119554505.db2.gz MOAFEGAVFGHKPT-KRWDZBQOSA-N 0 1 299.418 3.752 20 0 CHADMN CCc1cc(CN[C@H](c2ccccc2)C(C)C)on1 ZINC000091346086 1119555595 /nfs/dbraw/zinc/55/55/95/1119555595.db2.gz QRTQCUKEOFLZJV-INIZCTEOSA-N 0 1 258.365 3.724 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H](C)c3ccsc3)ccc12 ZINC000091826860 1119560351 /nfs/dbraw/zinc/56/03/51/1119560351.db2.gz WYFOIDXYPKICAZ-SECBINFHSA-N 0 1 285.372 3.675 20 0 CHADMN Cc1c(CN2CC=C(c3cc(C)cc(C)c3)CC2)cnn1C ZINC000092427135 1119562335 /nfs/dbraw/zinc/56/23/35/1119562335.db2.gz IQTKZQVZCHLFHI-UHFFFAOYSA-N 0 1 295.430 3.635 20 0 CHADMN CCc1c(Nc2nc(C3CC3)ns2)cnn1CC(C)C ZINC000092689056 1119564329 /nfs/dbraw/zinc/56/43/29/1119564329.db2.gz GEVOPQDAFVTTLC-UHFFFAOYSA-N 0 1 291.424 3.574 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@H](C)c1ccc(F)cn1 ZINC000092767735 1119567315 /nfs/dbraw/zinc/56/73/15/1119567315.db2.gz LPZZDOLQVATYBX-BDJLRTHQSA-N 0 1 286.350 3.567 20 0 CHADMN CCc1ncc(CN(C)Cc2cccc3[nH]ccc32)s1 ZINC000093324501 1119568946 /nfs/dbraw/zinc/56/89/46/1119568946.db2.gz CQDOMFUXBMTSHB-UHFFFAOYSA-N 0 1 285.416 3.819 20 0 CHADMN COCc1ccc(CN2CCc3ccccc3[C@@H]2C)o1 ZINC000093149302 1119569834 /nfs/dbraw/zinc/56/98/34/1119569834.db2.gz QZIGDUYFUPTJER-ZDUSSCGKSA-N 0 1 271.360 3.545 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCCN(Cc1ccncc1)C1CC1 ZINC000093221997 1119570544 /nfs/dbraw/zinc/57/05/44/1119570544.db2.gz RTTZRBJDFSBNKX-CRAIPNDOSA-N 0 1 288.435 3.641 20 0 CHADMN CCc1ccc(C2=CCN(Cc3cnn(C)c3C)CC2)cc1 ZINC000093263668 1119570911 /nfs/dbraw/zinc/57/09/11/1119570911.db2.gz BQTUQEPBSSIVIR-UHFFFAOYSA-N 0 1 295.430 3.580 20 0 CHADMN Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3C(C)C)o2)cc1 ZINC000140532568 1119579149 /nfs/dbraw/zinc/57/91/49/1119579149.db2.gz OLUPVFNQWNOPQA-OAHLLOKOSA-N 0 1 285.391 3.665 20 0 CHADMN C[C@@H](NCc1ccc(Cl)nc1)c1ccc(Cl)nc1 ZINC000179108768 1119589749 /nfs/dbraw/zinc/58/97/49/1119589749.db2.gz WSGZFUFRHOOZCN-SECBINFHSA-N 0 1 282.174 3.634 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)N1CCC2(CC2)CC1 ZINC000677718515 1119589790 /nfs/dbraw/zinc/58/97/90/1119589790.db2.gz CQFQNEAQZAFCEN-NSHDSACASA-N 0 1 289.404 3.735 20 0 CHADMN Cc1cccc(C(C)(C)NCc2cnc(C3CC3)o2)c1 ZINC000628218241 1119591397 /nfs/dbraw/zinc/59/13/97/1119591397.db2.gz YTMUWDSFMLCBRT-UHFFFAOYSA-N 0 1 270.376 3.885 20 0 CHADMN Cc1nc(C)c(CN[C@H](C)c2cc3cnccc3o2)s1 ZINC000657887244 1119598765 /nfs/dbraw/zinc/59/87/65/1119598765.db2.gz GIVYVOPWCKYVHA-SECBINFHSA-N 0 1 287.388 3.752 20 0 CHADMN Cc1nc(CN(CC2CCCCC2)C2CC2)oc1C ZINC000139983983 1119607643 /nfs/dbraw/zinc/60/76/43/1119607643.db2.gz XOVGRDJXALQHNF-UHFFFAOYSA-N 0 1 262.397 3.836 20 0 CHADMN Clc1ccc(CN2CCC(c3cccnc3)CC2)o1 ZINC000685456027 1119609734 /nfs/dbraw/zinc/60/97/34/1119609734.db2.gz GAXLKMVVCBMLBT-UHFFFAOYSA-N 0 1 276.767 3.708 20 0 CHADMN CC(C)=CCC[C@@H](C)CC(=O)NCCCc1cn[nH]c1C ZINC000400838530 1119616115 /nfs/dbraw/zinc/61/61/15/1119616115.db2.gz BGOILCHDKHPCBG-CQSZACIVSA-N 0 1 291.439 3.540 20 0 CHADMN CC(C)(CN1Cc2ccc(O)cc2C1)c1ccccc1 ZINC000628418944 1128858140 /nfs/dbraw/zinc/85/81/40/1128858140.db2.gz FWJKRARUJBQIEK-UHFFFAOYSA-N 0 1 267.372 3.686 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnn(C(C)C)c2)c(C)o1 ZINC000171840953 1119620688 /nfs/dbraw/zinc/62/06/88/1119620688.db2.gz SCXRSPXPBIQEST-GFCCVEGCSA-N 0 1 261.369 3.525 20 0 CHADMN CC(C)COc1ccc(CN[C@@H](C)c2ccccn2)cc1 ZINC000106465705 1119624437 /nfs/dbraw/zinc/62/44/37/1119624437.db2.gz FUNZNFAKMNBOJX-HNNXBMFYSA-N 0 1 284.403 3.967 20 0 CHADMN C[C@@H](CC(=O)Nc1ccc2nc[nH]c2c1)c1cccc(F)c1 ZINC000511303060 1119624459 /nfs/dbraw/zinc/62/44/59/1119624459.db2.gz WPLCYHIUQVNMPM-NSHDSACASA-N 0 1 297.333 3.834 20 0 CHADMN Cc1cccc2[nH]c(CN3CC[C@H]4CC[C@@H](C3)S4)cc21 ZINC000628423381 1128858659 /nfs/dbraw/zinc/85/86/59/1128858659.db2.gz QGZXUSOYKQJGLA-CABCVRRESA-N 0 1 286.444 3.946 20 0 CHADMN COc1ccccc1[C@H]1CCCN1Cc1oc(C)nc1C ZINC000685562542 1119630776 /nfs/dbraw/zinc/63/07/76/1119630776.db2.gz PQABKRUWSNJVDT-OAHLLOKOSA-N 0 1 286.375 3.637 20 0 CHADMN CCCCO[C@@H]1C[C@H](N(C)Cc2oc(C)nc2C)C1(C)C ZINC000685568787 1119632868 /nfs/dbraw/zinc/63/28/68/1119632868.db2.gz ZIANSPMCNPOVLB-JKSUJKDBSA-N 0 1 294.439 3.707 20 0 CHADMN CCCCO[C@H]1C[C@@H](N(C)Cc2oc(C)nc2C)C1(C)C ZINC000685568780 1119633044 /nfs/dbraw/zinc/63/30/44/1119633044.db2.gz ZIANSPMCNPOVLB-CVEARBPZSA-N 0 1 294.439 3.707 20 0 CHADMN Cc1nc(C)c(CN[C@@H](c2ccccc2C)C2CC2)o1 ZINC000685571729 1119633072 /nfs/dbraw/zinc/63/30/72/1119633072.db2.gz ZXKCBCSEHXTOGA-QGZVFWFLSA-N 0 1 270.376 3.841 20 0 CHADMN Cc1cc(F)ccc1CN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000685587451 1119635312 /nfs/dbraw/zinc/63/53/12/1119635312.db2.gz BOOXNXXLLZBVAJ-CVEARBPZSA-N 0 1 277.383 3.524 20 0 CHADMN CC1(C2CC2)CCN(Cc2nc3cc(F)ccc3o2)CC1 ZINC000685597211 1119636432 /nfs/dbraw/zinc/63/64/32/1119636432.db2.gz IAZHNJWOKKPMRZ-UHFFFAOYSA-N 0 1 288.366 3.979 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1C ZINC000157987452 1119637051 /nfs/dbraw/zinc/63/70/51/1119637051.db2.gz ZJVGCKREIUYUNQ-MRXNPFEDSA-N 0 1 289.419 3.626 20 0 CHADMN Cc1cn[nH]c1CNc1ccc2oc(C(C)C)nc2c1 ZINC000685613531 1119637825 /nfs/dbraw/zinc/63/78/25/1119637825.db2.gz CWTKISOILYWHQK-UHFFFAOYSA-N 0 1 270.336 3.595 20 0 CHADMN COc1ccc(C(C)(C)C)cc1NCc1[nH]ncc1C ZINC000685618701 1119639130 /nfs/dbraw/zinc/63/91/30/1119639130.db2.gz XHKJFXNDUTYFEM-UHFFFAOYSA-N 0 1 273.380 3.636 20 0 CHADMN Fc1cc(F)c(F)c(CN[C@H]2CCCC23CC3)c1F ZINC000657923739 1119642577 /nfs/dbraw/zinc/64/25/77/1119642577.db2.gz HOISDQNUXTWIMN-NSHDSACASA-N 0 1 273.273 3.665 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccc(SC)cc2)sn1 ZINC000399131634 1119644536 /nfs/dbraw/zinc/64/45/36/1119644536.db2.gz UESLJAXGMJDVFK-JTQLQIEISA-N 0 1 294.445 3.724 20 0 CHADMN CC[C@@H](CN[C@H](C)c1cc(C)on1)Oc1ccccc1C ZINC000685650390 1119644622 /nfs/dbraw/zinc/64/46/22/1119644622.db2.gz XHCAPCUIVFUHCL-CABCVRRESA-N 0 1 288.391 3.800 20 0 CHADMN CC(C)(C)Oc1ccc(CN[C@H]2CCCn3nccc32)cc1 ZINC000657943016 1119649268 /nfs/dbraw/zinc/64/92/68/1119649268.db2.gz MHXMATGCKULFTH-INIZCTEOSA-N 0 1 299.418 3.685 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1cccc(Br)n1 ZINC000309735535 1119658991 /nfs/dbraw/zinc/65/89/91/1119658991.db2.gz GJNUHGSOXNLEES-CMPLNLGQSA-N 0 1 283.213 3.607 20 0 CHADMN CC[C@H](C)c1cccc(NC(=O)C(C)(C)c2cnc[nH]2)c1 ZINC000628431964 1128860920 /nfs/dbraw/zinc/86/09/20/1128860920.db2.gz LSGOQJAWTSSRES-LBPRGKRZSA-N 0 1 285.391 3.840 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc3cnccc3o2)cc(C)n1 ZINC000658038851 1119670713 /nfs/dbraw/zinc/67/07/13/1119670713.db2.gz UHRRJRVDSDCXRH-ZDUSSCGKSA-N 0 1 281.359 3.690 20 0 CHADMN C[C@@H](NC/C=C\CO)c1ccc(Cl)c(Cl)c1Cl ZINC000658132774 1119687212 /nfs/dbraw/zinc/68/72/12/1119687212.db2.gz MYUXCWTYJYRBGA-YAJNLLPGSA-N 0 1 294.609 3.846 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccccc21)c1cn2ccccc2n1 ZINC000658186162 1119697354 /nfs/dbraw/zinc/69/73/54/1119697354.db2.gz BWRWLHSWNCXQDK-XJKSGUPXSA-N 0 1 277.371 3.672 20 0 CHADMN CCn1cc(CN[C@@H](c2ccccc2C)C2CCCC2)nn1 ZINC000658177885 1119697557 /nfs/dbraw/zinc/69/75/57/1119697557.db2.gz WOQPEWSIZSGJRQ-GOSISDBHSA-N 0 1 298.434 3.628 20 0 CHADMN Cc1ccc2oc(CN[C@H]3CCCn4nccc43)cc2c1 ZINC000658199246 1119700772 /nfs/dbraw/zinc/70/07/72/1119700772.db2.gz RYMAQAFCTUBBLU-HNNXBMFYSA-N 0 1 281.359 3.562 20 0 CHADMN COCc1csc(CN[C@@H](C)c2cnc(C)s2)c1 ZINC000658210085 1119702775 /nfs/dbraw/zinc/70/27/75/1119702775.db2.gz NVGCKEGVHUJJKJ-VIFPVBQESA-N 0 1 282.434 3.510 20 0 CHADMN Cc1noc([C@@H](N[C@H](C)CCc2ccccc2)C(C)C)n1 ZINC000168046758 1119714646 /nfs/dbraw/zinc/71/46/46/1119714646.db2.gz BTGVBQNXVCVHEQ-CJNGLKHVSA-N 0 1 287.407 3.686 20 0 CHADMN Clc1ccc([C@@H]2CC[C@@H](NCc3ncccn3)C2)cc1 ZINC000658276084 1119715337 /nfs/dbraw/zinc/71/53/37/1119715337.db2.gz NRWFYQLBTDKCJF-UKRRQHHQSA-N 0 1 287.794 3.556 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](c2ccccc2)[C@@H](O)C(C)C)o1 ZINC000658286891 1119717820 /nfs/dbraw/zinc/71/78/20/1119717820.db2.gz CQEWCRVNPYDMFO-WBAXXEDZSA-N 0 1 287.403 3.997 20 0 CHADMN CCn1cc(CN[C@H](C)c2ccc(Cl)cc2)c(C)n1 ZINC000892430823 1119719352 /nfs/dbraw/zinc/71/93/52/1119719352.db2.gz KYIYCOXEGFBQQI-LLVKDONJSA-N 0 1 277.799 3.716 20 0 CHADMN COc1ccccc1[C@H]1CCCN1C/C=C\Cl ZINC000255689999 1119725456 /nfs/dbraw/zinc/72/54/56/1119725456.db2.gz HCZDNHKVVBNBEJ-WYOARUQKSA-N 0 1 251.757 3.585 20 0 CHADMN Cc1cc(C)c([C@H](C)N[C@H](C)c2nccn2C)cc1C ZINC000658335399 1119726159 /nfs/dbraw/zinc/72/61/59/1119726159.db2.gz VWTQTAKXYSMUMH-LSDHHAIUSA-N 0 1 271.408 3.757 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@H]2N[C@H](C)c1nccn1C ZINC000658336019 1119726356 /nfs/dbraw/zinc/72/63/56/1119726356.db2.gz LVMNGURINAAQOP-GDBMZVCRSA-N 0 1 283.419 3.765 20 0 CHADMN C[C@@H](N[C@H](C)c1nccn1C)c1cc2c(s1)CCCC2 ZINC000658335735 1119726363 /nfs/dbraw/zinc/72/63/63/1119726363.db2.gz FUHDNKYKZOFYHB-VXGBXAGGSA-N 0 1 289.448 3.772 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@H]2N[C@@H](C)c1nccn1C ZINC000658335851 1119726709 /nfs/dbraw/zinc/72/67/09/1119726709.db2.gz HYUBRIWFMYKLBZ-VNHYZAJKSA-N 0 1 269.392 3.628 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@H](C)c1nccn1C ZINC000658335849 1119726765 /nfs/dbraw/zinc/72/67/65/1119726765.db2.gz HYUBRIWFMYKLBZ-NFAWXSAZSA-N 0 1 269.392 3.628 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H](C)c2ccsc21)c1nccn1C ZINC000658339041 1119727246 /nfs/dbraw/zinc/72/72/46/1119727246.db2.gz NRRGXVNACVIHNP-MDZLAQPJSA-N 0 1 275.421 3.771 20 0 CHADMN Cc1cccc2c1CCC[C@H]2N[C@@H](C)c1ccncn1 ZINC000658341171 1119728313 /nfs/dbraw/zinc/72/83/13/1119728313.db2.gz VQXOPBDVSIWKAH-SUMWQHHRSA-N 0 1 267.376 3.513 20 0 CHADMN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000658332713 1119729284 /nfs/dbraw/zinc/72/92/84/1119729284.db2.gz RCEGCCFELROPCJ-VHSSKADRSA-N 0 1 282.387 3.577 20 0 CHADMN C[C@@H](O)[C@H](N[C@@H](C)c1ccc(Cl)cn1)c1ccccc1 ZINC000658363447 1119731880 /nfs/dbraw/zinc/73/18/80/1119731880.db2.gz VQYPTQUOZVKJIS-OZVIIMIRSA-N 0 1 290.794 3.508 20 0 CHADMN Cc1cc(CNCc2ccccc2F)c2c(n1)CCCC2 ZINC000892434294 1119732775 /nfs/dbraw/zinc/73/27/75/1119732775.db2.gz HPKMONCUIOMUDD-UHFFFAOYSA-N 0 1 284.378 3.698 20 0 CHADMN COc1cccc(Cl)c1CN1CCC[C@@H](F)CC1 ZINC001140725604 1119736053 /nfs/dbraw/zinc/73/60/53/1119736053.db2.gz DQJQLNYCHGOYMQ-LLVKDONJSA-N 0 1 271.763 3.673 20 0 CHADMN COc1cccc(Cl)c1CN(C)C1CC(C)C1 ZINC001140725835 1119737856 /nfs/dbraw/zinc/73/78/56/1119737856.db2.gz RIPAOFIEGNQTQS-UHFFFAOYSA-N 0 1 253.773 3.579 20 0 CHADMN c1ccc2c(c1)CN(C[C@H]1CCCO1)Cc1ccccc1-2 ZINC000101919847 1119739394 /nfs/dbraw/zinc/73/93/94/1119739394.db2.gz DAUKPTNTNAUYEJ-QGZVFWFLSA-N 0 1 279.383 3.848 20 0 CHADMN CCN(Cc1ncc(C(C)(C)C)s1)CC(C)C ZINC000448211499 1119743172 /nfs/dbraw/zinc/74/31/72/1119743172.db2.gz CQYGIIICQCBNFF-UHFFFAOYSA-N 0 1 254.443 3.919 20 0 CHADMN CCn1cc(CNCc2ccc(C(F)(F)F)cc2)c(C)n1 ZINC000892473782 1119754572 /nfs/dbraw/zinc/75/45/72/1119754572.db2.gz RZYZXQIYENDRQH-UHFFFAOYSA-N 0 1 297.324 3.520 20 0 CHADMN CC[C@H](NCc1cc(C)ns1)c1ccc(OC)cc1 ZINC000404480227 1119755646 /nfs/dbraw/zinc/75/56/46/1119755646.db2.gz VYTJLHBNRTWLQH-HNNXBMFYSA-N 0 1 276.405 3.701 20 0 CHADMN CO[C@@H]1CCCN(Cc2ccsc2C(F)(F)F)CC1 ZINC000628236611 1119756221 /nfs/dbraw/zinc/75/62/21/1119756221.db2.gz ITIWKYBYCGNPJD-LLVKDONJSA-N 0 1 293.354 3.768 20 0 CHADMN Cc1ccc2c(C)cc(N3CCC(C)(C(=O)[O-])CC3)[nH+]c2c1 ZINC000647458174 1119758540 /nfs/dbraw/zinc/75/85/40/1119758540.db2.gz WPXDRXCVRZQUAN-UHFFFAOYSA-N 0 1 298.386 3.543 20 0 CHADMN CCC1(CC)CN(Cc2cnc(C3CC3)o2)CCS1 ZINC000628239452 1119759678 /nfs/dbraw/zinc/75/96/78/1119759678.db2.gz RBPDFUDZSJYHLQ-UHFFFAOYSA-N 0 1 280.437 3.660 20 0 CHADMN Cc1ncc(CN[C@H](C)CSc2ccc(C)cc2)o1 ZINC000628240244 1119760254 /nfs/dbraw/zinc/76/02/54/1119760254.db2.gz WCYCNRBWLUQADE-GFCCVEGCSA-N 0 1 276.405 3.562 20 0 CHADMN COc1ccc(CN[C@@H](c2ccc(OC)cc2)C2CC2)o1 ZINC000892479004 1119761392 /nfs/dbraw/zinc/76/13/92/1119761392.db2.gz UZRYRGKYLVEAMQ-QGZVFWFLSA-N 0 1 287.359 3.538 20 0 CHADMN CCn1ccnc1CN[C@H](c1ccccc1)C(C)(C)C ZINC000051922173 1119763761 /nfs/dbraw/zinc/76/37/61/1119763761.db2.gz TXLQRMCMLHJNGP-MRXNPFEDSA-N 0 1 271.408 3.780 20 0 CHADMN CCCOc1ccc(CNCc2oc(C)nc2C)c(C)c1 ZINC000628249529 1119769526 /nfs/dbraw/zinc/76/95/26/1119769526.db2.gz HGQODWWKFCJULU-UHFFFAOYSA-N 0 1 288.391 3.678 20 0 CHADMN COc1ccc(CN[C@H](c2cccs2)C2CC2)o1 ZINC000892488177 1119777097 /nfs/dbraw/zinc/77/70/97/1119777097.db2.gz FYMGSHNILFRJMJ-AWEZNQCLSA-N 0 1 263.362 3.591 20 0 CHADMN COc1nccc(CN[C@H](c2cccs2)C2CC2)c1F ZINC000892488308 1119777611 /nfs/dbraw/zinc/77/76/11/1119777611.db2.gz KHNFYVRRQMUWJA-AWEZNQCLSA-N 0 1 292.379 3.532 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc2ccccc21)c1cn(C)cn1 ZINC000924548092 1119796499 /nfs/dbraw/zinc/79/64/99/1119796499.db2.gz XTPBWYKDQQKCPD-UONOGXRCSA-N 0 1 279.387 3.985 20 0 CHADMN COCC(C)(C)N(C)Cc1csc(C(F)(F)F)c1 ZINC000628292531 1119798760 /nfs/dbraw/zinc/79/87/60/1119798760.db2.gz ICVQQHZWOHHRKG-UHFFFAOYSA-N 0 1 281.343 3.624 20 0 CHADMN C/C(=C/c1ccccc1)CNCc1cn2c(cccc2C)n1 ZINC000236705697 1119802850 /nfs/dbraw/zinc/80/28/50/1119802850.db2.gz CQAHBOOOHJHFSR-PTNGSMBKSA-N 0 1 291.398 3.836 20 0 CHADMN CC(C)C1(c2ccccc2)CN(Cc2cnc(C3CC3)o2)C1 ZINC000628312162 1119817998 /nfs/dbraw/zinc/81/79/98/1119817998.db2.gz REHNXDVHHPFIGM-UHFFFAOYSA-N 0 1 296.414 3.962 20 0 CHADMN C[C@@H](NCc1c(Cl)ccc(Cl)c1Cl)[C@H](C)CO ZINC000134976691 1128872227 /nfs/dbraw/zinc/87/22/27/1128872227.db2.gz DZADIGCXKKVZTC-HTQZYQBOSA-N 0 1 296.625 3.753 20 0 CHADMN Clc1ccc(Cc2noc([C@H]3CCCCCN3)n2)cc1 ZINC000080988776 1119846672 /nfs/dbraw/zinc/84/66/72/1119846672.db2.gz ZAEVHWWGDAQCSP-CYBMUJFWSA-N 0 1 291.782 3.519 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000724859548 1119850185 /nfs/dbraw/zinc/85/01/85/1119850185.db2.gz SNGLITSMNKDNQC-AWEZNQCLSA-N 0 1 273.332 3.561 20 0 CHADMN C[C@@H](N[C@H]1CCOc2ccccc21)c1cc(O)cc(F)c1 ZINC000924563319 1119850793 /nfs/dbraw/zinc/85/07/93/1119850793.db2.gz JUCDRDLOZUQBOT-BZNIZROVSA-N 0 1 287.334 3.706 20 0 CHADMN Cc1cn[nH]c1C[N@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000685838151 1119856475 /nfs/dbraw/zinc/85/64/75/1119856475.db2.gz RXNUITWWHXRERT-WMZOPIPTSA-N 0 1 283.419 3.795 20 0 CHADMN C[C@@H](c1cccs1)[N@@H+](C)Cc1cccc(F)c1N ZINC000156361589 1119860100 /nfs/dbraw/zinc/86/01/00/1119860100.db2.gz OHMGSOUGWRMJIH-JTQLQIEISA-N 0 1 264.369 3.662 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1cccc(F)c1N ZINC000156361589 1119860107 /nfs/dbraw/zinc/86/01/07/1119860107.db2.gz OHMGSOUGWRMJIH-JTQLQIEISA-N 0 1 264.369 3.662 20 0 CHADMN CC[C@H](N[C@H](C)c1ccn(C)n1)c1ccc(C)cc1 ZINC000414047094 1119865070 /nfs/dbraw/zinc/86/50/70/1119865070.db2.gz BKMQOVWHBPAYPG-HIFRSBDPSA-N 0 1 257.381 3.530 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc3cnccc3c2)CCC1(F)F ZINC000685849317 1119870856 /nfs/dbraw/zinc/87/08/56/1119870856.db2.gz QJXCXTBFTHGNGF-LBPRGKRZSA-N 0 1 276.330 3.712 20 0 CHADMN CCOc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)cc1F ZINC000685850088 1119872786 /nfs/dbraw/zinc/87/27/86/1119872786.db2.gz VWDSJOSDULGUEK-QGZVFWFLSA-N 0 1 289.394 3.989 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2cc3n(n2)CCC3)cc1 ZINC000414062869 1119874603 /nfs/dbraw/zinc/87/46/03/1119874603.db2.gz DGSMEQVQENPHLY-ZIAGYGMSSA-N 0 1 269.392 3.550 20 0 CHADMN CC[C@H](N[C@H](C)c1cc2n(n1)CCC2)c1ccccc1 ZINC000414065819 1119876597 /nfs/dbraw/zinc/87/65/97/1119876597.db2.gz GLBHOIDEGCYDRR-CJNGLKHVSA-N 0 1 269.392 3.631 20 0 CHADMN Cc1cc(-c2noc([C@H]3CCCN3C(C)C)n2)ccc1F ZINC000923784125 1119881156 /nfs/dbraw/zinc/88/11/56/1119881156.db2.gz QCGLMDIDKOLWTE-CQSZACIVSA-N 0 1 289.354 3.729 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2cc3n(n2)CCC3)c(C)c1 ZINC000414074017 1119883291 /nfs/dbraw/zinc/88/32/91/1119883291.db2.gz MMSBMTPEFUETOV-HNNXBMFYSA-N 0 1 283.419 3.605 20 0 CHADMN COc1ccc(CNCc2cc(C(C)(C)C)oc2C)cn1 ZINC000892532409 1119885187 /nfs/dbraw/zinc/88/51/87/1119885187.db2.gz AKGKMAPLPPTQBL-UHFFFAOYSA-N 0 1 288.391 3.579 20 0 CHADMN CCc1nocc1CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000660178134 1128875321 /nfs/dbraw/zinc/87/53/21/1128875321.db2.gz JKCSEVZOFDWWPZ-SNVBAGLBSA-N 0 1 296.317 3.689 20 0 CHADMN C[C@@H](N[C@@H]1CCSC1)c1csc(-c2ccccc2)n1 ZINC000414101729 1119898214 /nfs/dbraw/zinc/89/82/14/1119898214.db2.gz WPQMQODCYWWVLA-DGCLKSJQSA-N 0 1 290.457 3.966 20 0 CHADMN COc1cc2c(cc1-c1nc3ccc(F)cc3[nH]1)O[C@H](C)C2 ZINC000613294235 1119899421 /nfs/dbraw/zinc/89/94/21/1119899421.db2.gz LOFVTKKQUVEXPZ-SECBINFHSA-N 0 1 298.317 3.701 20 0 CHADMN CCC[C@H](O)CN[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414109210 1119901335 /nfs/dbraw/zinc/90/13/35/1119901335.db2.gz GYHBQFYSRGAXSF-JSGCOSHPSA-N 0 1 290.432 3.622 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1cc3n(n1)CCC3)[C@@H](C)C2 ZINC000414108806 1119901342 /nfs/dbraw/zinc/90/13/42/1119901342.db2.gz MKRCOSCFRZUQKF-IQUTYRLHSA-N 0 1 295.430 3.722 20 0 CHADMN COc1ccccc1[C@H](N[C@H](C)[C@@H]1C[C@@H]1C)c1ccccn1 ZINC000414113825 1119904186 /nfs/dbraw/zinc/90/41/86/1119904186.db2.gz YZPOEDJAIGVBFP-ZDXGLAPJSA-N 0 1 296.414 3.814 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2NCCSc1ccccc1 ZINC000924572790 1119905565 /nfs/dbraw/zinc/90/55/65/1119905565.db2.gz DWJOPTSZGAOFTP-AWEZNQCLSA-N 0 1 288.416 3.742 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)CCOc1ccccc1 ZINC000613359076 1119908561 /nfs/dbraw/zinc/90/85/61/1119908561.db2.gz SSALZJAXRBFABZ-AWEZNQCLSA-N 0 1 273.351 3.898 20 0 CHADMN CC[C@H](COC)N[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414131485 1119911067 /nfs/dbraw/zinc/91/10/67/1119911067.db2.gz XZWPULYOEXWSAA-GXTWGEPZSA-N 0 1 290.432 3.886 20 0 CHADMN Cc1nc([C@@H](C)Nc2cc3c(cn2)CCCC3)cs1 ZINC000361187249 1119915805 /nfs/dbraw/zinc/91/58/05/1119915805.db2.gz OHCUHYHOPWMJSB-SNVBAGLBSA-N 0 1 273.405 3.898 20 0 CHADMN COC(=O)c1cnc([C@@H](C)N[C@@H](C)CCC=C(C)C)s1 ZINC000414151475 1119916846 /nfs/dbraw/zinc/91/68/46/1119916846.db2.gz QCQKEYMDUCTTRW-NWDGAFQWSA-N 0 1 296.436 3.715 20 0 CHADMN C[C@@H]1CCN(Cc2nc(C(C)(C)C)no2)[C@H]2CCCC[C@H]12 ZINC000613416032 1119918494 /nfs/dbraw/zinc/91/84/94/1119918494.db2.gz PNKCZNJMTPWYOV-MCIONIFRSA-N 0 1 291.439 3.768 20 0 CHADMN CC(C)C[C@@H]1C[C@H]1N[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000414165508 1119923311 /nfs/dbraw/zinc/92/33/11/1119923311.db2.gz CHCQXGQEZXTHLS-QGPMSJSTSA-N 0 1 299.393 3.729 20 0 CHADMN Cc1ncc(CN[C@H]2C[C@H](C(C)C)c3ccccc32)o1 ZINC000414177830 1119927795 /nfs/dbraw/zinc/92/77/95/1119927795.db2.gz JHRUWJDKPSYTBK-SJORKVTESA-N 0 1 270.376 3.957 20 0 CHADMN COC(=O)c1ccc(CN[C@@H]2CCCc3occc32)cc1C ZINC000892551590 1119932750 /nfs/dbraw/zinc/93/27/50/1119932750.db2.gz ILPQOUQUUMIEQW-MRXNPFEDSA-N 0 1 299.370 3.542 20 0 CHADMN COc1ccccc1CN(CCOc1ccccc1)C1CC1 ZINC000613484510 1119938566 /nfs/dbraw/zinc/93/85/66/1119938566.db2.gz PLFWMDQFCOXPSJ-UHFFFAOYSA-N 0 1 297.398 3.739 20 0 CHADMN CCC[C@@H](NCc1ccn(CC)n1)c1ccccc1 ZINC000414207874 1119940156 /nfs/dbraw/zinc/94/01/56/1119940156.db2.gz KRTZILUGCXCFBX-MRXNPFEDSA-N 0 1 257.381 3.534 20 0 CHADMN FC(F)Oc1cccc(Cl)c1CN[C@H]1C=CCC1 ZINC000850358429 1119941262 /nfs/dbraw/zinc/94/12/62/1119941262.db2.gz CQLDAXBAKSNQGA-VIFPVBQESA-N 0 1 273.710 3.750 20 0 CHADMN C[C@H](NCc1cnccc1C(C)(C)C)c1ccncc1 ZINC000414224010 1119945163 /nfs/dbraw/zinc/94/51/63/1119945163.db2.gz HESAUEPKEAAOBQ-ZDUSSCGKSA-N 0 1 269.392 3.625 20 0 CHADMN C[C@@H]1C[C@H](CN[C@H](CCc2ccccc2)C(F)F)[C@H](C)O1 ZINC000414249384 1119955623 /nfs/dbraw/zinc/95/56/23/1119955623.db2.gz FGHJJVFVOOKFCL-OCVGTWLNSA-N 0 1 297.389 3.656 20 0 CHADMN CCC[C@@H](NCc1nccc(C(F)(F)F)n1)C(C)(C)C ZINC000414255826 1119958382 /nfs/dbraw/zinc/95/83/82/1119958382.db2.gz VOZJGUYZSVHDTM-SNVBAGLBSA-N 0 1 289.345 3.800 20 0 CHADMN c1coc(-c2cc(C[N@H+]3CCC[C@@H]3C3CCC3)no2)c1 ZINC000170872361 1119962134 /nfs/dbraw/zinc/96/21/34/1119962134.db2.gz LNLOGZLEBAMUQH-CQSZACIVSA-N 0 1 272.348 3.699 20 0 CHADMN C[C@H](CN[C@H](c1ncc[nH]1)c1ccccc1)CC(F)(F)F ZINC000414277834 1119964697 /nfs/dbraw/zinc/96/46/97/1119964697.db2.gz ZSKAXDZLMSQESN-AAEUAGOBSA-N 0 1 297.324 3.677 20 0 CHADMN CC[C@H](N[C@@H]1CCCC[C@H]1F)c1ccc(F)cn1 ZINC000414286652 1119966411 /nfs/dbraw/zinc/96/64/11/1119966411.db2.gz NJIOWVCCIYBPQP-FRRDWIJNSA-N 0 1 254.324 3.542 20 0 CHADMN COc1cc(F)c([C@H](C)N[C@@H]2CCCC[C@H]2F)cc1OC ZINC000414286593 1119966628 /nfs/dbraw/zinc/96/66/28/1119966628.db2.gz NFLLSLFMOMEGJX-ZKYQVNSYSA-N 0 1 299.361 3.774 20 0 CHADMN CC[C@H](C)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000170916344 1119969613 /nfs/dbraw/zinc/96/96/13/1119969613.db2.gz QIHNEVOUINZOHQ-STQMWFEESA-N 0 1 296.842 3.590 20 0 CHADMN Cc1occc1CN[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000414303949 1119973423 /nfs/dbraw/zinc/97/34/23/1119973423.db2.gz OFWYGRHBLNAUMN-SJORKVTESA-N 0 1 289.350 3.737 20 0 CHADMN CCCCOc1ccc(CNc2nccn2CC)cc1 ZINC000414305406 1119974421 /nfs/dbraw/zinc/97/44/21/1119974421.db2.gz RSAPLAWUMKTKQU-UHFFFAOYSA-N 0 1 273.380 3.694 20 0 CHADMN Cc1ccccc1-c1nc(CN2C[C@H](C)CC2(C)C)no1 ZINC000472580420 1119974834 /nfs/dbraw/zinc/97/48/34/1119974834.db2.gz KVGBKJYPHWUHRE-GFCCVEGCSA-N 0 1 285.391 3.665 20 0 CHADMN O=C(c1cccc(F)c1O)N1CCCCc2sccc21 ZINC000935789730 1119981336 /nfs/dbraw/zinc/98/13/36/1119981336.db2.gz MLIXVWACMZVTFJ-UHFFFAOYSA-N 0 1 291.347 3.576 20 0 CHADMN C[C@@H]1[C@H](NCc2nnc(C3CC3)s2)C[C@H]1c1ccccc1 ZINC000414321098 1119981379 /nfs/dbraw/zinc/98/13/79/1119981379.db2.gz DGYNQPNLUDJOEE-NILFDRSVSA-N 0 1 299.443 3.697 20 0 CHADMN c1ccc([C@@H]2CC[C@H](NCc3nnc(C4CC4)s3)C2)cc1 ZINC000414322571 1119982736 /nfs/dbraw/zinc/98/27/36/1119982736.db2.gz HDSWXACNOFWBIT-CABCVRRESA-N 0 1 299.443 3.841 20 0 CHADMN Cc1cc(CNCc2cccc(OC(C)C)c2)cnc1F ZINC000892616785 1119985386 /nfs/dbraw/zinc/98/53/86/1119985386.db2.gz QURXTDJMRVUGLN-UHFFFAOYSA-N 0 1 288.366 3.606 20 0 CHADMN CN(Cc1ccc(Cl)s1)Cc1ccc2c[nH]nc2c1 ZINC000162771106 1120001024 /nfs/dbraw/zinc/00/10/24/1120001024.db2.gz XVIOMZIFTCLIDW-UHFFFAOYSA-N 0 1 291.807 3.910 20 0 CHADMN C[C@H]1CN(c2ccnc3cc(F)ccc32)CCC1(F)F ZINC000685921776 1120002294 /nfs/dbraw/zinc/00/22/94/1120002294.db2.gz XXHAELSYHPOTDN-JTQLQIEISA-N 0 1 280.293 3.855 20 0 CHADMN CCc1ncc(CN2CCC[C@@H]2c2cccc(C)c2)cn1 ZINC000414373086 1120002956 /nfs/dbraw/zinc/00/29/56/1120002956.db2.gz RMMMFTBAZRHDJO-QGZVFWFLSA-N 0 1 281.403 3.685 20 0 CHADMN COCCN(Cc1ccoc1C)[C@@H](C)c1ccccc1 ZINC000414371628 1120004166 /nfs/dbraw/zinc/00/41/66/1120004166.db2.gz NLTVBLOETXEVOA-AWEZNQCLSA-N 0 1 273.376 3.798 20 0 CHADMN CCc1ncc(CN([C@H](C)c2ccccc2)C2CC2)cn1 ZINC000414374847 1120004534 /nfs/dbraw/zinc/00/45/34/1120004534.db2.gz WSPJPNLBPOABIT-CQSZACIVSA-N 0 1 281.403 3.765 20 0 CHADMN Cc1occc1CN1CCC(Oc2ccc(F)cc2)CC1 ZINC000414376897 1120006342 /nfs/dbraw/zinc/00/63/42/1120006342.db2.gz DJPXTRUOINNJOP-UHFFFAOYSA-N 0 1 289.350 3.771 20 0 CHADMN CC/C=C\CCN(C)CC(=O)Nc1c(C)cccc1C ZINC000342216565 1120012856 /nfs/dbraw/zinc/01/28/56/1120012856.db2.gz GDBMJEOJYKLOJU-SREVYHEPSA-N 0 1 274.408 3.530 20 0 CHADMN CC[C@@H](NCc1ccc(C)nn1)c1ccc(Cl)s1 ZINC000414389144 1120014018 /nfs/dbraw/zinc/01/40/18/1120014018.db2.gz FGQXTUDFCXSKLR-LLVKDONJSA-N 0 1 281.812 3.741 20 0 CHADMN Fc1cc2[nH]cnc2cc1NCc1nccc2ccccc21 ZINC001167704489 1120014835 /nfs/dbraw/zinc/01/48/35/1120014835.db2.gz TUVVAMALNJFIKH-UHFFFAOYSA-N 0 1 292.317 3.862 20 0 CHADMN COc1ccccc1CNCc1ccc(F)c(Cl)c1 ZINC000053150193 1120015129 /nfs/dbraw/zinc/01/51/29/1120015129.db2.gz LUJQKEZWVJNEIX-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN CCC[C@H](N[C@@H]1C[C@@H](C)O[C@H]1C)c1ncccc1Cl ZINC000926782544 1120017883 /nfs/dbraw/zinc/01/78/83/1120017883.db2.gz DNZPIANEBKPVMO-UVLXDEKHSA-N 0 1 282.815 3.732 20 0 CHADMN COc1ccc(OC)c(CNCc2csc(C)c2C)c1 ZINC000399987522 1120036655 /nfs/dbraw/zinc/03/66/55/1120036655.db2.gz KJXCUZORUJVYMU-UHFFFAOYSA-N 0 1 291.416 3.672 20 0 CHADMN CSc1ccc(CNCc2cnc(F)cc2C)cc1 ZINC000892673363 1120041817 /nfs/dbraw/zinc/04/18/17/1120041817.db2.gz CZTHPRWLMRRXTF-UHFFFAOYSA-N 0 1 276.380 3.541 20 0 CHADMN CC(C)Cc1noc(CN2C[C@H](c3ccccc3)C[C@H]2C)n1 ZINC000115552416 1120043053 /nfs/dbraw/zinc/04/30/53/1120043053.db2.gz TZAPSAVJHAHJTI-GDBMZVCRSA-N 0 1 299.418 3.646 20 0 CHADMN Fc1ccc2nc(-c3ccc4[nH]ccc4c3)[nH]c2c1 ZINC000049537247 1120052315 /nfs/dbraw/zinc/05/23/15/1120052315.db2.gz DVIYKRLRJHHDAH-UHFFFAOYSA-N 0 1 251.264 3.850 20 0 CHADMN COCC1(CN(C)[C@H](C)c2c(F)cccc2F)CCC1 ZINC000361299495 1120055133 /nfs/dbraw/zinc/05/51/33/1120055133.db2.gz MWJMCROOXYCNAH-GFCCVEGCSA-N 0 1 283.362 3.774 20 0 CHADMN CCn1cncc1CN[C@H](C)c1ccccc1OC(C)C ZINC000090171582 1120059674 /nfs/dbraw/zinc/05/96/74/1120059674.db2.gz GOVRVKWKZGOUOZ-CQSZACIVSA-N 0 1 287.407 3.541 20 0 CHADMN CCC[C@@H](NCc1cc(F)cc(F)c1)c1ccccn1 ZINC001649117630 1120062425 /nfs/dbraw/zinc/06/24/25/1120062425.db2.gz LEESAYCDPXEFGZ-OAHLLOKOSA-N 0 1 276.330 3.991 20 0 CHADMN CC(C)(C)[C@@H](C(=O)[O-])c1ccc(Nc2ccc[nH+]c2N)cc1 ZINC001212405700 1120068001 /nfs/dbraw/zinc/06/80/01/1120068001.db2.gz JDQUQWGOCBGOSG-CQSZACIVSA-N 0 1 299.374 3.622 20 0 CHADMN CN1CCc2c(F)cc(-c3cccc(F)c3F)cc2C1 ZINC001239708465 1120074835 /nfs/dbraw/zinc/07/48/35/1120074835.db2.gz ITYLQNCPHXNIQT-UHFFFAOYSA-N 0 1 277.289 3.759 20 0 CHADMN CC(C)CN(Cc1nc(C2CCCC2)no1)C(C)C ZINC000178594129 1120078320 /nfs/dbraw/zinc/07/83/20/1120078320.db2.gz YNJLFMSIDMLRRR-UHFFFAOYSA-N 0 1 265.401 3.594 20 0 CHADMN Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cnn(C)c2)cc1C ZINC001205022968 1120081005 /nfs/dbraw/zinc/08/10/05/1120081005.db2.gz FVSIBKYMCCULMN-SFHVURJKSA-N 0 1 283.419 3.764 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000178755490 1120081377 /nfs/dbraw/zinc/08/13/77/1120081377.db2.gz UDGZRYUYOYAYSU-AWEZNQCLSA-N 0 1 296.414 3.820 20 0 CHADMN COC(C)(C)[C@@H](C)N[C@@H](C)c1csc(C(C)C)n1 ZINC000903329324 1120082639 /nfs/dbraw/zinc/08/26/39/1120082639.db2.gz BQJGYOBSKPADKR-WDEREUQCSA-N 0 1 270.442 3.731 20 0 CHADMN Cc1cc(CN2CCC[C@H](OCC(F)(F)F)C2)cs1 ZINC000648360200 1120084302 /nfs/dbraw/zinc/08/43/02/1120084302.db2.gz CGXVBYOPGNMWTP-LBPRGKRZSA-N 0 1 293.354 3.600 20 0 CHADMN CC(=O)Nc1cccc2c1CCN(Cc1cccc(C)c1)C2 ZINC000054389993 1120085612 /nfs/dbraw/zinc/08/56/12/1120085612.db2.gz HYUDTQFHLUGTJW-UHFFFAOYSA-N 0 1 294.398 3.512 20 0 CHADMN CC(C)c1cc(C(=O)N(C)C(C)(C)c2ccccc2)n[nH]1 ZINC000671894322 1120088605 /nfs/dbraw/zinc/08/86/05/1120088605.db2.gz QCERYBQQCLRZGO-UHFFFAOYSA-N 0 1 285.391 3.540 20 0 CHADMN COC[C@@]1(C)CN([C@@H](C)c2ccc3ccccc3c2)CCO1 ZINC000626173629 1120092194 /nfs/dbraw/zinc/09/21/94/1120092194.db2.gz ZEOLYBKIUIAPSM-HNAYVOBHSA-N 0 1 299.414 3.638 20 0 CHADMN Cc1ccc(NC(=O)c2ccc(Cl)cc2O)c(C)c1O ZINC000179824361 1120095493 /nfs/dbraw/zinc/09/54/93/1120095493.db2.gz VKCPGAXPUZKPDC-UHFFFAOYSA-N 0 1 291.734 3.620 20 0 CHADMN CC[C@H](NCc1cccc(O)c1)c1ccccc1F ZINC000180389258 1120098647 /nfs/dbraw/zinc/09/86/47/1120098647.db2.gz QLVRPOBAWYNKDG-INIZCTEOSA-N 0 1 259.324 3.772 20 0 CHADMN CCC[C@H](NCc1cnn(C2CCC2)c1)c1ccccn1 ZINC000921685239 1120109062 /nfs/dbraw/zinc/10/90/62/1120109062.db2.gz VZOCSCBHFZVDCO-INIZCTEOSA-N 0 1 284.407 3.634 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](CCO)c2ccccc2)oc1C ZINC000282299252 1120109996 /nfs/dbraw/zinc/10/99/96/1120109996.db2.gz SMVKYDDFHKMHBY-CZUORRHYSA-N 0 1 273.376 3.671 20 0 CHADMN CCC(CC)CCC[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000659802254 1120113067 /nfs/dbraw/zinc/11/30/67/1120113067.db2.gz PUOKSGYMVNKJLL-UHFFFAOYSA-N 0 1 267.369 3.626 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000659800892 1120113504 /nfs/dbraw/zinc/11/35/04/1120113504.db2.gz CQKLTSVQCJDTNM-DGCLKSJQSA-N 0 1 277.364 3.551 20 0 CHADMN Cc1cc(C[N@H+]2CCCC[C@H]2CC2CCC2)oc1C(=O)[O-] ZINC000659803277 1120113536 /nfs/dbraw/zinc/11/35/36/1120113536.db2.gz FIQXKVNTONPGOV-AWEZNQCLSA-N 0 1 291.391 3.831 20 0 CHADMN N#C[C@H](C(=O)CCC1CCCC1)c1cnc2ccccc2n1 ZINC000190910746 1128891152 /nfs/dbraw/zinc/89/11/52/1128891152.db2.gz BDAXTIMYMZQZLM-AWEZNQCLSA-N 0 1 293.370 3.776 20 0 CHADMN CC[C@@H](C)O[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001204630783 1120114272 /nfs/dbraw/zinc/11/42/72/1120114272.db2.gz UVUCXGHZKUICCS-TZMCWYRMSA-N 0 1 267.800 3.729 20 0 CHADMN Cc1oc(C[N@H+]2CCCC[C@@H]2CC2CCC2)cc1C(=O)[O-] ZINC000659804186 1120114419 /nfs/dbraw/zinc/11/44/19/1120114419.db2.gz VLJAIOJGCSOWQG-CQSZACIVSA-N 0 1 291.391 3.831 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000659804138 1120114549 /nfs/dbraw/zinc/11/45/49/1120114549.db2.gz STKPEUIZIZTWAM-MRXNPFEDSA-N 0 1 287.403 3.930 20 0 CHADMN Brc1ccc(C[N@H+]2CC3CCC2CC3)cc1 ZINC000309495468 1120121409 /nfs/dbraw/zinc/12/14/09/1120121409.db2.gz DBLBMPGOGLMEPI-UHFFFAOYSA-N 0 1 280.209 3.824 20 0 CHADMN Brc1ccc(CN2CC3CCC2CC3)cc1 ZINC000309495468 1120121410 /nfs/dbraw/zinc/12/14/10/1120121410.db2.gz DBLBMPGOGLMEPI-UHFFFAOYSA-N 0 1 280.209 3.824 20 0 CHADMN CCc1noc(CN2CCC[C@@H]2CCCc2ccccc2)n1 ZINC000135358650 1120121648 /nfs/dbraw/zinc/12/16/48/1120121648.db2.gz BNONIEDECZMIQO-INIZCTEOSA-N 0 1 299.418 3.619 20 0 CHADMN Cc1cc(CN2CCc3cc(Cl)cc(Cl)c3C2)n[nH]1 ZINC001116445446 1120121851 /nfs/dbraw/zinc/12/18/51/1120121851.db2.gz NDROJCZSTJTXAX-UHFFFAOYSA-N 0 1 296.201 3.583 20 0 CHADMN CC[C@H]1CN(C/C=C\c2ccc(F)cc2F)CCS1 ZINC000542702767 1120124235 /nfs/dbraw/zinc/12/42/35/1120124235.db2.gz STCWWAGPAVBOGG-NQHOJNORSA-N 0 1 283.387 3.805 20 0 CHADMN CCCCCCCCCNC(=O)[C@H](N)c1ccccc1 ZINC000236634868 1120131795 /nfs/dbraw/zinc/13/17/95/1120131795.db2.gz KTZQPNNHFKGGLQ-MRXNPFEDSA-N 0 1 276.424 3.553 20 0 CHADMN Cc1nnc(CNCC(C)(C)c2cccc(Cl)c2)s1 ZINC000892742635 1120134250 /nfs/dbraw/zinc/13/42/50/1120134250.db2.gz IKQNXQANVCCZQQ-UHFFFAOYSA-N 0 1 295.839 3.567 20 0 CHADMN Cc1cc(CNC2(c3ccc(F)cc3)CCC2)cnc1F ZINC000892785592 1120142096 /nfs/dbraw/zinc/14/20/96/1120142096.db2.gz HDXJCZNZUQJRTM-UHFFFAOYSA-N 0 1 288.341 3.837 20 0 CHADMN COc1ccc(CNC2(c3ccc(F)cc3)CCCC2)o1 ZINC000892786544 1120142640 /nfs/dbraw/zinc/14/26/40/1120142640.db2.gz UAYTWZFMEMEAMX-UHFFFAOYSA-N 0 1 289.350 3.986 20 0 CHADMN Cc1c2cc(F)ccc2oc1CNCc1cccn1C ZINC000172627891 1120144448 /nfs/dbraw/zinc/14/44/48/1120144448.db2.gz IVWHPJSKYUYGKA-UHFFFAOYSA-N 0 1 272.323 3.509 20 0 CHADMN C[C@@H](NC1CC(F)(c2cccc(Cl)c2)C1)c1ncc[nH]1 ZINC000353603166 1120144695 /nfs/dbraw/zinc/14/46/95/1120144695.db2.gz GFNYIGWPUFWLHG-ZZJLNTIPSA-N 0 1 293.773 3.741 20 0 CHADMN COc1ccc(-c2cccc(CN3CC(C)(C)C3)n2)cc1 ZINC001140954161 1120145589 /nfs/dbraw/zinc/14/55/89/1120145589.db2.gz HSLYFXKMJROPNI-UHFFFAOYSA-N 0 1 282.387 3.599 20 0 CHADMN CCc1ccc(CN(Cc2cc(C)nc(C)n2)C2CC2)cc1 ZINC000659837026 1120145659 /nfs/dbraw/zinc/14/56/59/1120145659.db2.gz CKEDVLHQNGZNEP-UHFFFAOYSA-N 0 1 295.430 3.820 20 0 CHADMN CC[C@@H](CN[C@@H](C)c1ncc[nH]1)Oc1cccc(Cl)c1 ZINC000353629410 1120148558 /nfs/dbraw/zinc/14/85/58/1120148558.db2.gz FSBFLDUNAXLYCC-AAEUAGOBSA-N 0 1 293.798 3.571 20 0 CHADMN CC(C)[N@@H+](Cc1csc(-c2ccccn2)n1)C1CCC1 ZINC000173518916 1120155951 /nfs/dbraw/zinc/15/59/51/1120155951.db2.gz LDVMDVUNVNUJPE-UHFFFAOYSA-N 0 1 287.432 3.968 20 0 CHADMN CC(C)N(Cc1csc(-c2ccccn2)n1)C1CCC1 ZINC000173518916 1120155954 /nfs/dbraw/zinc/15/59/54/1120155954.db2.gz LDVMDVUNVNUJPE-UHFFFAOYSA-N 0 1 287.432 3.968 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@@H]1C[C@H]1C(F)(F)F)CCS2 ZINC000631756004 1128894746 /nfs/dbraw/zinc/89/47/46/1128894746.db2.gz HNFQSUBZWMVEJZ-GMTAPVOTSA-N 0 1 291.313 3.903 20 0 CHADMN Cc1cccc([C@H](C)NCc2ccc(C)c(C)n2)c1 ZINC000313927146 1120157870 /nfs/dbraw/zinc/15/78/70/1120157870.db2.gz LYSCYGSLJDZGBN-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN C[C@H](NCC(=O)Nc1ccccc1)c1cccc(Cl)c1 ZINC000057382154 1120157889 /nfs/dbraw/zinc/15/78/89/1120157889.db2.gz HJDOGNDUKIGFRW-LBPRGKRZSA-N 0 1 288.778 3.629 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cnn(C3CCC3)c1)CC2 ZINC000921705373 1120159433 /nfs/dbraw/zinc/15/94/33/1120159433.db2.gz UFPYMMIWOSTHGL-QGZVFWFLSA-N 0 1 285.366 3.524 20 0 CHADMN C[C@H](NCc1cccc(F)c1)c1ccnn1C1CCC1 ZINC000924609328 1120159637 /nfs/dbraw/zinc/15/96/37/1120159637.db2.gz KDEVPBBMSSVIBJ-LBPRGKRZSA-N 0 1 273.355 3.598 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccnn1C1CCC1)CC2 ZINC000921705735 1120160803 /nfs/dbraw/zinc/16/08/03/1120160803.db2.gz WNDRBIPFCYXRRA-KRWDZBQOSA-N 0 1 285.366 3.524 20 0 CHADMN CCOc1ccc(CN[C@H]2CCc3ccc(C)cc32)o1 ZINC000892920779 1120161927 /nfs/dbraw/zinc/16/19/27/1120161927.db2.gz KMXJXPFUNKJPBE-INIZCTEOSA-N 0 1 271.360 3.764 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(O)c2)c2c(n1)CCCC2 ZINC000892941959 1120169253 /nfs/dbraw/zinc/16/92/53/1120169253.db2.gz OLRUSBNNMYNHDD-CQSZACIVSA-N 0 1 296.414 3.825 20 0 CHADMN Cc1ccc(CNCc2ccccc2C2CC2)nc1C ZINC000314098154 1120170144 /nfs/dbraw/zinc/17/01/44/1120170144.db2.gz DKSCIJGARJWZRX-UHFFFAOYSA-N 0 1 266.388 3.866 20 0 CHADMN Cc1[nH]c2ccc(CNCc3cncs3)cc2c1C ZINC000343845161 1120177661 /nfs/dbraw/zinc/17/76/61/1120177661.db2.gz ATCWWGBVPYLWOX-UHFFFAOYSA-N 0 1 271.389 3.531 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(F)c(F)c(F)c2)cc1 ZINC000112478710 1120177716 /nfs/dbraw/zinc/17/77/16/1120177716.db2.gz OXVVWYREZFLOIH-SNVBAGLBSA-N 0 1 295.304 3.963 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccc(O)c1OC ZINC001203529516 1128896689 /nfs/dbraw/zinc/89/66/89/1128896689.db2.gz ALOXLMKNCGQABU-UHFFFAOYSA-N 0 1 296.326 3.701 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NCc1cccc(C(F)(F)F)c1 ZINC000112837435 1120186266 /nfs/dbraw/zinc/18/62/66/1120186266.db2.gz DHVUCRXXTWKOLX-JTQLQIEISA-N 0 1 297.324 3.598 20 0 CHADMN Clc1ccnc(CN2CCC3(CCCC3)CC2)c1 ZINC000092416712 1120189678 /nfs/dbraw/zinc/18/96/78/1120189678.db2.gz BLIMMGDJRQRLCL-UHFFFAOYSA-N 0 1 264.800 3.891 20 0 CHADMN CCOc1ccc([C@H](C)N[C@@H](C)c2cnc(C)cn2)cc1 ZINC000644626982 1120193950 /nfs/dbraw/zinc/19/39/50/1120193950.db2.gz REXMYZAHVNHLRK-KBPBESRZSA-N 0 1 285.391 3.596 20 0 CHADMN FC(F)c1ccc(CN2CCOC3(CCCC3)C2)cc1 ZINC000461401465 1120195529 /nfs/dbraw/zinc/19/55/29/1120195529.db2.gz ZEVDZLLFGLCVTR-UHFFFAOYSA-N 0 1 281.346 3.769 20 0 CHADMN Cc1noc(C)c1CNC1(c2ccc(F)cc2)CCC1 ZINC000624773397 1120203843 /nfs/dbraw/zinc/20/38/43/1120203843.db2.gz PRPWWAFFFJWGLM-UHFFFAOYSA-N 0 1 274.339 3.600 20 0 CHADMN CC[C@H](NCc1cc(O)cc(Cl)c1)c1ccncc1 ZINC000893032124 1120204663 /nfs/dbraw/zinc/20/46/63/1120204663.db2.gz IBHHTNSMJWXMOQ-HNNXBMFYSA-N 0 1 276.767 3.682 20 0 CHADMN CC(C)c1cc(C(=O)N2CC[C@H](C3CCCCC3)C2)n[nH]1 ZINC000618182335 1128898898 /nfs/dbraw/zinc/89/88/98/1128898898.db2.gz FLDHGZYJGOLOQR-AWEZNQCLSA-N 0 1 289.423 3.576 20 0 CHADMN CCc1nnc(CNCCCCC2CCCC2)s1 ZINC000893070019 1120213290 /nfs/dbraw/zinc/21/32/90/1120213290.db2.gz VBISYMOASKNCDQ-UHFFFAOYSA-N 0 1 267.442 3.551 20 0 CHADMN CC(C)Oc1ccc(CN(C)Cc2ccoc2)cc1 ZINC000338727712 1120216870 /nfs/dbraw/zinc/21/68/70/1120216870.db2.gz BSRLODDCTNWOMD-UHFFFAOYSA-N 0 1 259.349 3.699 20 0 CHADMN CS[C@@H]1CCC[C@@H](N[C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000921805991 1120221462 /nfs/dbraw/zinc/22/14/62/1120221462.db2.gz UGOBLGBZDSMUIO-IJLUTSLNSA-N 0 1 297.468 3.692 20 0 CHADMN Cc1ncc(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)o1 ZINC000628289582 1120221612 /nfs/dbraw/zinc/22/16/12/1120221612.db2.gz LWIGZDZTMQGTFK-NEPJUHHUSA-N 0 1 276.302 3.536 20 0 CHADMN Clc1cccc2c1C[C@@H](NCc1nc3ccccc3o1)C2 ZINC001168675530 1120227099 /nfs/dbraw/zinc/22/70/99/1120227099.db2.gz FJEPLLITDZLGQT-LBPRGKRZSA-N 0 1 298.773 3.738 20 0 CHADMN CO[C@@H](C)c1cccc(N[C@@H]2CCCc3[nH]ncc32)c1 ZINC000353648578 1128900484 /nfs/dbraw/zinc/90/04/84/1128900484.db2.gz PKKCGJCDJDTSLT-XHDPSFHLSA-N 0 1 271.364 3.607 20 0 CHADMN Cc1ccc(SCc2nc([C@H](N)C(C)C)no2)c(C)c1 ZINC000843147798 1120234966 /nfs/dbraw/zinc/23/49/66/1120234966.db2.gz GHOAJHACXYVVSQ-CQSZACIVSA-N 0 1 291.420 3.635 20 0 CHADMN CC(C)(C)c1coc(CNCC(C)(C)[C@H]2CCCCO2)n1 ZINC000921840153 1120236574 /nfs/dbraw/zinc/23/65/74/1120236574.db2.gz YAVWDZFRKHLCLM-CQSZACIVSA-N 0 1 294.439 3.657 20 0 CHADMN Cc1cccc(CN2CC(c3nc4ccccc4[nH]3)C2)c1F ZINC000648376354 1120236702 /nfs/dbraw/zinc/23/67/02/1120236702.db2.gz AQYOPHJESYRSDJ-UHFFFAOYSA-N 0 1 295.361 3.610 20 0 CHADMN CCC[C@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000499480094 1120244790 /nfs/dbraw/zinc/24/47/90/1120244790.db2.gz PAVQFMODSHNTGK-HNNXBMFYSA-N 0 1 297.402 3.872 20 0 CHADMN CCN(CC)[C@@H](C(=O)NCCCC(C)C)c1ccccc1 ZINC000111072593 1120249689 /nfs/dbraw/zinc/24/96/89/1120249689.db2.gz KFJFNGWJZRGROL-QGZVFWFLSA-N 0 1 290.451 3.622 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CCCC[C@H](C)C1 ZINC000187942695 1120251989 /nfs/dbraw/zinc/25/19/89/1120251989.db2.gz CBMSJNKLOKMDTF-RYUDHWBXSA-N 0 1 265.401 3.550 20 0 CHADMN CC(C)Oc1cccc(CN(C)Cc2ccco2)c1 ZINC000051259720 1120258913 /nfs/dbraw/zinc/25/89/13/1120258913.db2.gz UXNGNBQUPAHMTR-UHFFFAOYSA-N 0 1 259.349 3.699 20 0 CHADMN C(c1nnc(C2CC2)s1)N1CC[C@H](C2CCCCC2)C1 ZINC000661579002 1120260546 /nfs/dbraw/zinc/26/05/46/1120260546.db2.gz VGKCCCALWYDJSQ-AWEZNQCLSA-N 0 1 291.464 3.818 20 0 CHADMN CCn1nccc1CN1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000179991996 1120260949 /nfs/dbraw/zinc/26/09/49/1120260949.db2.gz RZLVJLZPJNZBLN-CXAGYDPISA-N 0 1 287.382 3.625 20 0 CHADMN CCc1cnc(CN2CCC[C@](C)(c3ccccc3)C2)o1 ZINC000075743335 1120265513 /nfs/dbraw/zinc/26/55/13/1120265513.db2.gz IOZVYLFPNOORJC-SFHVURJKSA-N 0 1 284.403 3.791 20 0 CHADMN CC(=O)[C@@H](N[C@H]1Cc2cccc(Cl)c2C1)c1ccccc1 ZINC001168693512 1120271090 /nfs/dbraw/zinc/27/10/90/1120271090.db2.gz SFVVOTGSFWCDQW-MAUKXSAKSA-N 0 1 299.801 3.727 20 0 CHADMN FC(F)(F)c1ccc([C@@H]2CN(CCC3CC3)CCO2)cc1 ZINC000542946855 1120274698 /nfs/dbraw/zinc/27/46/98/1120274698.db2.gz ARIYLKWSBXVKIM-HNNXBMFYSA-N 0 1 299.336 3.879 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1ccsc1C ZINC000310398897 1120278328 /nfs/dbraw/zinc/27/83/28/1120278328.db2.gz MOWUTSCJTYBMCU-QMMMGPOBSA-N 0 1 250.367 3.512 20 0 CHADMN c1cc(CN(CCC2CCC2)Cc2ccccc2)n[nH]1 ZINC000659912814 1120281630 /nfs/dbraw/zinc/28/16/30/1120281630.db2.gz ITCBRTXJEONPEV-UHFFFAOYSA-N 0 1 269.392 3.602 20 0 CHADMN CC[C@@H](C)[N@@H+](CCC(C)(C)C(=O)[O-])Cc1ccccc1 ZINC000395724370 1120281968 /nfs/dbraw/zinc/28/19/68/1120281968.db2.gz WLLWXTLDFFTCQR-CQSZACIVSA-N 0 1 277.408 3.788 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)nc(C)n1 ZINC000659929916 1120291805 /nfs/dbraw/zinc/29/18/05/1120291805.db2.gz WHJRYHLBQKCNJD-LJQANCHMSA-N 0 1 295.430 3.647 20 0 CHADMN CC(C)[C@H]1CCCC[C@H]1NCC(F)(F)C(F)F ZINC000227015990 1120292448 /nfs/dbraw/zinc/29/24/48/1120292448.db2.gz PVFWJIOTALHRMY-NXEZZACHSA-N 0 1 255.299 3.691 20 0 CHADMN Cc1nc(CN(CCc2ccc(F)cc2)C2CC2)c(C)o1 ZINC000659933564 1120294450 /nfs/dbraw/zinc/29/44/50/1120294450.db2.gz BJIALYLNYCPNKM-UHFFFAOYSA-N 0 1 288.366 3.638 20 0 CHADMN Cc1cccc(CN[C@H](C)c2ccc[nH]2)c1Br ZINC000921939653 1120295324 /nfs/dbraw/zinc/29/53/24/1120295324.db2.gz VHDOJVJATSEMFJ-LLVKDONJSA-N 0 1 293.208 3.936 20 0 CHADMN CCc1nc([C@H](C)NC[C@@H]2CC2(Cl)Cl)cs1 ZINC000309456269 1120300680 /nfs/dbraw/zinc/30/06/80/1120300680.db2.gz MNWAWPGSQLHQHN-YUMQZZPRSA-N 0 1 279.236 3.550 20 0 CHADMN c1ccc(COc2ncccc2CN2CCC3(CC3)C2)cc1 ZINC001238770951 1131243480 /nfs/dbraw/zinc/24/34/80/1131243480.db2.gz STEBEMIKQNNFTC-UHFFFAOYSA-N 0 1 294.398 3.647 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N1CCC[C@@H]1C1CCCCC1 ZINC000387755651 1120299751 /nfs/dbraw/zinc/29/97/51/1120299751.db2.gz DRAIYLVRQZQXDU-MRXNPFEDSA-N 0 1 297.402 3.748 20 0 CHADMN Cc1ccc([C@H]2[C@@H](C)CCCN2Cc2cn(C)cn2)cc1 ZINC000659946094 1120303392 /nfs/dbraw/zinc/30/33/92/1120303392.db2.gz ZVUDVIWVNPUXSX-MAUKXSAKSA-N 0 1 283.419 3.702 20 0 CHADMN CC[C@H](C)CN(C)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000172800987 1120303739 /nfs/dbraw/zinc/30/37/39/1120303739.db2.gz KCTOXYIMOKNQCN-KBPBESRZSA-N 0 1 287.407 3.699 20 0 CHADMN CN(C(=O)c1cccc2c[nH]nc21)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416285085 1120305342 /nfs/dbraw/zinc/30/53/42/1120305342.db2.gz BMVYFWNKQADLOF-CABCVRRESA-N 0 1 299.418 3.850 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cccc3c2OCCO3)c1 ZINC000157175581 1120308298 /nfs/dbraw/zinc/30/82/98/1120308298.db2.gz PLHHWLMQDMICEV-CQSZACIVSA-N 0 1 283.371 3.617 20 0 CHADMN CSc1cccc(NC(=O)c2ccc(F)cc2O)c1 ZINC000228305904 1120310859 /nfs/dbraw/zinc/31/08/59/1120310859.db2.gz GGAVHHHFMVHETC-UHFFFAOYSA-N 0 1 277.320 3.506 20 0 CHADMN CN1CCCC[C@H]1C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000672487000 1120314190 /nfs/dbraw/zinc/31/41/90/1120314190.db2.gz NKESHWNUBPDIEN-SFHVURJKSA-N 0 1 294.398 3.776 20 0 CHADMN CCC[C@H](C)CCC[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C ZINC000629362545 1128907974 /nfs/dbraw/zinc/90/79/74/1128907974.db2.gz VIFFGFDTNDXOOW-BYNSBNAKSA-N 0 1 269.429 3.776 20 0 CHADMN c1csc(CC2CN(Cc3cnc(C4CC4)s3)C2)c1 ZINC000628478673 1120322083 /nfs/dbraw/zinc/32/20/83/1120322083.db2.gz LTVGYVPFTUIOTP-UHFFFAOYSA-N 0 1 290.457 3.757 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2ccc(CSC)cc2)no1 ZINC000843184735 1120322562 /nfs/dbraw/zinc/32/25/62/1120322562.db2.gz VBFVAWYTDYWJNR-NSHDSACASA-N 0 1 291.420 3.660 20 0 CHADMN CCc1nc([C@H](C)N2CC[C@H]2c2ccc(Cl)cc2)n[nH]1 ZINC000659985696 1120323352 /nfs/dbraw/zinc/32/33/52/1120323352.db2.gz QKPWATWQSVELII-GWCFXTLKSA-N 0 1 290.798 3.529 20 0 CHADMN CC[C@@H](c1ccccc1OC)N(C)Cc1cc(C)ccn1 ZINC000672577553 1120328292 /nfs/dbraw/zinc/32/82/92/1120328292.db2.gz PQETYHJTJHWBOB-KRWDZBQOSA-N 0 1 284.403 3.982 20 0 CHADMN Cc1nc(CN2CCC[C@]3(CCCc4ccccc43)C2)co1 ZINC000659995377 1120330193 /nfs/dbraw/zinc/33/01/93/1120330193.db2.gz ZQJQDIUTORYQKE-LJQANCHMSA-N 0 1 296.414 3.853 20 0 CHADMN CC[C@H]1CCCN(Cc2ncc(C(C)C)s2)C1 ZINC000183004099 1120333326 /nfs/dbraw/zinc/33/33/26/1120333326.db2.gz LYILNQZTUBSTOJ-LBPRGKRZSA-N 0 1 252.427 3.889 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000629375018 1128908866 /nfs/dbraw/zinc/90/88/66/1128908866.db2.gz AGCNYFGAZNHBIS-RWWVYYKTSA-N 0 1 291.366 3.630 20 0 CHADMN c1coc([C@H]2CCN(Cc3ccn(C4CCCC4)n3)C2)c1 ZINC000363840721 1120333716 /nfs/dbraw/zinc/33/37/16/1120333716.db2.gz GLEVKKFQBSSCFE-AWEZNQCLSA-N 0 1 285.391 3.581 20 0 CHADMN CCc1ccc([C@H]2CCN(Cc3nc(C)c(C)[nH]3)C2)cc1 ZINC000628293133 1120334586 /nfs/dbraw/zinc/33/45/86/1120334586.db2.gz NFOOXTMEJXZJPT-KRWDZBQOSA-N 0 1 283.419 3.578 20 0 CHADMN C[C@H](CCc1cccc(F)c1)N[C@H]1CCCC1(F)F ZINC000672620116 1120334847 /nfs/dbraw/zinc/33/48/47/1120334847.db2.gz JWAVGQIXEIARIX-RISCZKNCSA-N 0 1 271.326 3.924 20 0 CHADMN COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2cncs2)c1 ZINC000363847198 1120337024 /nfs/dbraw/zinc/33/70/24/1120337024.db2.gz MLIJMWYITFLHAE-BLLLJJGKSA-N 0 1 288.416 3.735 20 0 CHADMN COc1cccc([C@H]2C[C@H](C)CN2Cc2cncs2)c1 ZINC000363847198 1120337029 /nfs/dbraw/zinc/33/70/29/1120337029.db2.gz MLIJMWYITFLHAE-BLLLJJGKSA-N 0 1 288.416 3.735 20 0 CHADMN COc1cc(CN(Cc2ccccc2)C(C)(C)C)sn1 ZINC000660005112 1120337617 /nfs/dbraw/zinc/33/76/17/1120337617.db2.gz CDBMORUDKHGHLA-UHFFFAOYSA-N 0 1 290.432 3.952 20 0 CHADMN FC(F)[C@@H](CCc1ccccc1)NC[C@@H]1CCCSC1 ZINC000672618362 1120338552 /nfs/dbraw/zinc/33/85/52/1120338552.db2.gz UKJRVOMOVOALRU-LSDHHAIUSA-N 0 1 299.430 3.986 20 0 CHADMN O=C([O-])c1cccc(Cl)c1C[N@H+]1CCCC2(CC2)CC1 ZINC000629378518 1128909377 /nfs/dbraw/zinc/90/93/77/1128909377.db2.gz QVKJTBGSONNYOX-UHFFFAOYSA-N 0 1 293.794 3.804 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2)C(C)(C)C)nc(C)n1 ZINC000660035042 1120347852 /nfs/dbraw/zinc/34/78/52/1120347852.db2.gz QGTFUNAMCZTORU-QGZVFWFLSA-N 0 1 283.419 3.970 20 0 CHADMN CC(C)N(CCC1CCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000660038190 1120349573 /nfs/dbraw/zinc/34/95/73/1120349573.db2.gz OOZOGMGCBZOKOI-UHFFFAOYSA-N 0 1 299.418 3.736 20 0 CHADMN CCN(Cc1ccc2ccccc2c1)C(=O)c1cnc(C)[nH]1 ZINC000339184569 1120351893 /nfs/dbraw/zinc/35/18/93/1120351893.db2.gz PZEYMHFVJBVPTO-UHFFFAOYSA-N 0 1 293.370 3.534 20 0 CHADMN FC(F)(F)[C@H]1CCN(Cc2cccnc2)CC12CCC2 ZINC000282326427 1120353347 /nfs/dbraw/zinc/35/33/47/1120353347.db2.gz AMGPAGYHIYEFCH-ZDUSSCGKSA-N 0 1 284.325 3.636 20 0 CHADMN Cc1cscc1CNCc1cc(C)cnc1Cl ZINC000922066877 1120353373 /nfs/dbraw/zinc/35/33/73/1120353373.db2.gz FDDHANWNGASGJE-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccnn1C1CCC1)CCC2 ZINC000922078668 1120356519 /nfs/dbraw/zinc/35/65/19/1120356519.db2.gz CDXCIAKTWMNNJY-GOSISDBHSA-N 0 1 299.393 3.914 20 0 CHADMN CCC(CC)N(Cc1nnc(C2CC2)n1C1CC1)C1CC1 ZINC000543029722 1120374177 /nfs/dbraw/zinc/37/41/77/1120374177.db2.gz RNQKFQYNRJOCQO-UHFFFAOYSA-N 0 1 288.439 3.643 20 0 CHADMN C[C@H](C[C@H]1CCOC1)N[C@@H](CCc1ccccc1)C(F)F ZINC000779406339 1128912230 /nfs/dbraw/zinc/91/22/30/1128912230.db2.gz IWNMDFONTYXMLP-BMFZPTHFSA-N 0 1 297.389 3.658 20 0 CHADMN C[C@@H](NCc1cccc(F)c1F)c1ccc(F)cc1 ZINC000042321101 1120375568 /nfs/dbraw/zinc/37/55/68/1120375568.db2.gz AXFRCOYIDKAFFL-SNVBAGLBSA-N 0 1 265.278 3.955 20 0 CHADMN COCC(C)(C)CCCNCc1nc(C(C)(C)C)co1 ZINC000922129532 1120378752 /nfs/dbraw/zinc/37/87/52/1120378752.db2.gz OXWAZJHEJMYSQT-UHFFFAOYSA-N 0 1 282.428 3.515 20 0 CHADMN CN(Cc1nc(-c2ccccc2)c[nH]1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660104198 1120378802 /nfs/dbraw/zinc/37/88/02/1120378802.db2.gz MUZOCPADQCNXTE-RBVVOMGSSA-N 0 1 281.403 3.555 20 0 CHADMN CO[C@@H](CSc1nc(-c2ccccc2)n[nH]1)CC(C)C ZINC000416893969 1120382182 /nfs/dbraw/zinc/38/21/82/1120382182.db2.gz QCRQSFPSBAYUTN-CYBMUJFWSA-N 0 1 291.420 3.625 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cnc(C)s1 ZINC000114492593 1120384608 /nfs/dbraw/zinc/38/46/08/1120384608.db2.gz FLPFACSUTUYHON-INIZCTEOSA-N 0 1 272.417 3.961 20 0 CHADMN CC(C)c1cc(CNCc2cccc3[nH]ccc32)on1 ZINC000114510256 1120385371 /nfs/dbraw/zinc/38/53/71/1120385371.db2.gz OYGAZQYASLMDJI-UHFFFAOYSA-N 0 1 269.348 3.569 20 0 CHADMN CCCCc1noc([C@@H](C)N(C)C[C@@H]2CC=CCC2)n1 ZINC000544116956 1120385816 /nfs/dbraw/zinc/38/58/16/1120385816.db2.gz KWZQLCCVIFLUNJ-ZIAGYGMSSA-N 0 1 277.412 3.761 20 0 CHADMN CC1(C)C[C@H]1NCc1csc(-c2ccccc2)n1 ZINC000618468002 1128913246 /nfs/dbraw/zinc/91/32/46/1128913246.db2.gz OWBLOSKFZYXUCW-CYBMUJFWSA-N 0 1 258.390 3.698 20 0 CHADMN CCc1noc([C@H](C)NCC2(c3ccccc3)CCCC2)n1 ZINC000114746294 1120401758 /nfs/dbraw/zinc/40/17/58/1120401758.db2.gz OIRLTSHNIMIUGO-AWEZNQCLSA-N 0 1 299.418 3.795 20 0 CHADMN CCc1nc([C@@H](C)N2CC=C(c3cccc(C)c3)CC2)n[nH]1 ZINC000660165372 1120408457 /nfs/dbraw/zinc/40/84/57/1120408457.db2.gz CRGGMNFULXXHFB-CQSZACIVSA-N 0 1 296.418 3.526 20 0 CHADMN CSCCCN1CC[C@H]1c1ccc(Cl)cc1 ZINC000511609258 1120408704 /nfs/dbraw/zinc/40/87/04/1120408704.db2.gz GMEQKEYVZURADE-ZDUSSCGKSA-N 0 1 255.814 3.840 20 0 CHADMN Cc1ncc(CN2Cc3cc(C)ccc3CC2(C)C)o1 ZINC000628296513 1120409861 /nfs/dbraw/zinc/40/98/61/1120409861.db2.gz OCSGTFNRWHASRZ-UHFFFAOYSA-N 0 1 270.376 3.628 20 0 CHADMN CC(C)CCCNCc1c(F)c(F)cc(F)c1F ZINC000682161421 1120410635 /nfs/dbraw/zinc/41/06/35/1120410635.db2.gz UZAPJZNAYWTKEB-UHFFFAOYSA-N 0 1 263.278 3.769 20 0 CHADMN C[C@@H](Cc1ccsc1)N1CCOC[C@H]1c1ccccc1 ZINC000543093013 1120414131 /nfs/dbraw/zinc/41/41/31/1120414131.db2.gz SUCRZVSLVSVOKQ-YOEHRIQHSA-N 0 1 287.428 3.753 20 0 CHADMN CCc1nocc1CN[C@H](c1cccs1)C1CC1 ZINC000660175599 1120416475 /nfs/dbraw/zinc/41/64/75/1120416475.db2.gz LRUKWKNSMSDZMN-AWEZNQCLSA-N 0 1 262.378 3.539 20 0 CHADMN FC(F)[C@@H](CCc1ccccc1)NC[C@H]1CC12CC2 ZINC000417340727 1120427431 /nfs/dbraw/zinc/42/74/31/1120427431.db2.gz PTGQREWLIVCXTO-ZIAGYGMSSA-N 0 1 265.347 3.643 20 0 CHADMN C[C@H](c1ncccn1)[N@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000930819331 1120432175 /nfs/dbraw/zinc/43/21/75/1120432175.db2.gz DPWGOERHMYYBKD-KFWWJZLASA-N 0 1 273.424 3.686 20 0 CHADMN C[C@@H](CC1CCC1)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000682998470 1120432882 /nfs/dbraw/zinc/43/28/82/1120432882.db2.gz CVQCKEPNUHQEAG-KBPBESRZSA-N 0 1 299.418 3.890 20 0 CHADMN Oc1cccc2c1CCC[C@@H]2N[C@H]1COCc2ccccc21 ZINC000417356281 1120434216 /nfs/dbraw/zinc/43/42/16/1120434216.db2.gz FGJGVNDQFTYPHE-ROUUACIJSA-N 0 1 295.382 3.631 20 0 CHADMN C[C@H](N[C@@H]1COCc2ccccc21)c1ccccc1N(C)C ZINC000417359517 1120435519 /nfs/dbraw/zinc/43/55/19/1120435519.db2.gz ISHVSOGQLGMMGI-KBXCAEBGSA-N 0 1 296.414 3.675 20 0 CHADMN COc1ccc([C@H](C)N[C@@H]2COCc3ccccc32)c(C)c1 ZINC000417368648 1120438319 /nfs/dbraw/zinc/43/83/19/1120438319.db2.gz RIDYEOSWCKVYLN-IFXJQAMLSA-N 0 1 297.398 3.926 20 0 CHADMN CCC[C@H](N[C@@H]1COCc2ccccc21)c1cccnc1 ZINC000417367655 1120438863 /nfs/dbraw/zinc/43/88/63/1120438863.db2.gz QCRJMWXMDUXZDF-ZWKOTPCHSA-N 0 1 282.387 3.784 20 0 CHADMN c1nn(C2CCC2)cc1CNc1ccc2cnccc2c1 ZINC000922169959 1120442533 /nfs/dbraw/zinc/44/25/33/1120442533.db2.gz BEGABBBHEAAEFA-UHFFFAOYSA-N 0 1 278.359 3.768 20 0 CHADMN COc1ccc([C@@H](NCc2cc(C3CC3)no2)C2CC2)cc1 ZINC000660208170 1120442899 /nfs/dbraw/zinc/44/28/99/1120442899.db2.gz KVEAJEYGCFATAE-SFHVURJKSA-N 0 1 298.386 3.802 20 0 CHADMN CC(C)=CCCN[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000660207755 1120443319 /nfs/dbraw/zinc/44/33/19/1120443319.db2.gz GWPRXLGMZFVQKC-CYBMUJFWSA-N 0 1 263.385 3.590 20 0 CHADMN CCc1nocc1CN[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000660211133 1120444220 /nfs/dbraw/zinc/44/42/20/1120444220.db2.gz AAGLAQDUYNIRAN-QGZVFWFLSA-N 0 1 288.366 3.925 20 0 CHADMN C[C@@H]1CCCCC[N@H+]1CC[C@H](C(=O)[O-])c1ccccc1 ZINC000584785935 1120446217 /nfs/dbraw/zinc/44/62/17/1120446217.db2.gz UJDPJMRTNPVRLR-ZBFHGGJFSA-N 0 1 275.392 3.509 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N(C1CC1)C1CCCCC1 ZINC000067680739 1120447566 /nfs/dbraw/zinc/44/75/66/1120447566.db2.gz ZYROQHRPTUKTFY-UHFFFAOYSA-N 0 1 283.375 3.500 20 0 CHADMN Cc1nc(CN2CCC[C@H](c3ccc(F)cc3)CC2)co1 ZINC000660226656 1120453082 /nfs/dbraw/zinc/45/30/82/1120453082.db2.gz XSPYIXSRGMPTMK-AWEZNQCLSA-N 0 1 288.366 3.892 20 0 CHADMN CC[C@@H](CSc1ccccc1)N[C@H](C)c1nonc1C ZINC000925608887 1120453811 /nfs/dbraw/zinc/45/38/11/1120453811.db2.gz LJGGFPSPUVCWOH-YPMHNXCESA-N 0 1 291.420 3.600 20 0 CHADMN CCC[C@H](C)C[C@H]([NH2+]Cc1ncc(C(C)C)s1)C(=O)[O-] ZINC000417558056 1120456855 /nfs/dbraw/zinc/45/68/55/1120456855.db2.gz DPEGVRFAUMVEKJ-RYUDHWBXSA-N 0 1 298.452 3.636 20 0 CHADMN C[C@]1(F)CCN(CCCc2ccccc2Cl)C1 ZINC000543197127 1120458306 /nfs/dbraw/zinc/45/83/06/1120458306.db2.gz YPXNCFJNRRJIQC-AWEZNQCLSA-N 0 1 255.764 3.707 20 0 CHADMN COc1ccccc1[C@@H](CO)NCc1cccc(C(C)C)c1 ZINC000660236334 1120459608 /nfs/dbraw/zinc/45/96/08/1120459608.db2.gz LZOYSAFYGIBDRS-GOSISDBHSA-N 0 1 299.414 3.642 20 0 CHADMN CCc1ccc(CNCc2noc3ccccc23)s1 ZINC000584850325 1120465380 /nfs/dbraw/zinc/46/53/80/1120465380.db2.gz OWQYKTOORLWZAA-UHFFFAOYSA-N 0 1 272.373 3.742 20 0 CHADMN CCCc1cc(C(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C)n[nH]1 ZINC000673395204 1120466241 /nfs/dbraw/zinc/46/62/41/1120466241.db2.gz JHSPAMUDBJPAJU-CHWSQXEVSA-N 0 1 291.439 3.649 20 0 CHADMN CC[C@H]1C[C@@H](N[C@H](C)c2ccc(F)cc2Cl)CO1 ZINC000657476658 1120467423 /nfs/dbraw/zinc/46/74/23/1120467423.db2.gz RXKWVWZZLDCQPI-JLLWLGSASA-N 0 1 271.763 3.697 20 0 CHADMN CCC1(C(=O)Nc2nc3ccc(C)cc3[nH]2)CCCC1 ZINC000584855435 1120467696 /nfs/dbraw/zinc/46/76/96/1120467696.db2.gz CAKVRLQYNUOLHQ-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN Fc1cccc(C2(NCc3ccnn3C3CCC3)CCC2)c1 ZINC000922209774 1120468279 /nfs/dbraw/zinc/46/82/79/1120468279.db2.gz HRPSCZSTZIEELD-UHFFFAOYSA-N 0 1 299.393 3.916 20 0 CHADMN CC[C@H](NCc1ccnn1C1CCC1)c1ccccc1F ZINC000922217585 1120474677 /nfs/dbraw/zinc/47/46/77/1120474677.db2.gz OTUHHLQPAZUAMV-KRWDZBQOSA-N 0 1 287.382 3.988 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cc3nc(C(C)(C)C)no3)C2)cc1 ZINC000543249078 1120474812 /nfs/dbraw/zinc/47/48/12/1120474812.db2.gz NWORVOPIILHCKB-OAHLLOKOSA-N 0 1 299.418 3.665 20 0 CHADMN Cc1cnc(Cl)c(CNC[C@H]2CCC3(CCCC3)O2)c1 ZINC000922226664 1120478063 /nfs/dbraw/zinc/47/80/63/1120478063.db2.gz MJITWVJYDNSQBB-CQSZACIVSA-N 0 1 294.826 3.625 20 0 CHADMN CN(C)c1cccc(CNC(C)(C)c2ccccc2F)c1 ZINC000644783283 1120481742 /nfs/dbraw/zinc/48/17/42/1120481742.db2.gz JYMMUAWHDCYRTI-UHFFFAOYSA-N 0 1 286.394 3.917 20 0 CHADMN CCOc1cc(F)c(-c2cc(F)c(O)cc2F)cc1OC ZINC001222087279 1120482920 /nfs/dbraw/zinc/48/29/20/1120482920.db2.gz YDXQKWIHRNAOBD-UHFFFAOYSA-N 0 1 298.260 3.884 20 0 CHADMN c1csc([C@@H](Cc2ccccc2)NCc2cc[nH]n2)c1 ZINC000116923262 1120485464 /nfs/dbraw/zinc/48/54/64/1120485464.db2.gz QHVXQQYXSKLWAS-OAHLLOKOSA-N 0 1 283.400 3.545 20 0 CHADMN CC1(C)C[C@@H](NCc2nc3cc(Cl)ccc3s2)CO1 ZINC000417874509 1120487302 /nfs/dbraw/zinc/48/73/02/1120487302.db2.gz KRFNFCZOFUPFGB-SNVBAGLBSA-N 0 1 296.823 3.607 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(-c2c(C)nsc2C)no1 ZINC000843235251 1120489495 /nfs/dbraw/zinc/48/94/95/1120489495.db2.gz AORPWFLNATWRFK-JTQLQIEISA-N 0 1 294.424 3.507 20 0 CHADMN CO[C@H](c1ccccc1)[C@@H](C)N[C@@H](C)c1cscn1 ZINC000572543526 1128920116 /nfs/dbraw/zinc/92/01/16/1128920116.db2.gz MARPFEKEOSFVBG-ZOWXZIJZSA-N 0 1 276.405 3.570 20 0 CHADMN CCc1ccccc1CN(C)Cc1cccnc1C ZINC001141228261 1120496402 /nfs/dbraw/zinc/49/64/02/1120496402.db2.gz FAHDFNIODNWEKC-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN Cc1cccc(C)c1[C@@H](C)NCc1ccn(C(C)C)n1 ZINC000545518244 1120496635 /nfs/dbraw/zinc/49/66/35/1120496635.db2.gz QXSDCJUUVBOEKA-OAHLLOKOSA-N 0 1 271.408 3.932 20 0 CHADMN c1ccc([C@@H](NCc2cccc3c2OCC3)C2CCC2)nc1 ZINC000922284765 1120496876 /nfs/dbraw/zinc/49/68/76/1120496876.db2.gz DRNUESNALKRJIE-SFHVURJKSA-N 0 1 294.398 3.648 20 0 CHADMN F[C@@H]1CCCCN([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168720438 1120498446 /nfs/dbraw/zinc/49/84/46/1120498446.db2.gz JDDVRNHBEAFAMF-OLZOCXBDSA-N 0 1 267.775 3.631 20 0 CHADMN Cc1cccc2ncc(CN3CC4C[C@@H]5CC3C[C@H](C4)C5)n21 ZINC000511649011 1120500463 /nfs/dbraw/zinc/50/04/63/1120500463.db2.gz RBFGZBCIXCVVJT-RYTJFDOTSA-N 0 1 295.430 3.653 20 0 CHADMN Fc1cccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c1OC(F)F ZINC000660332617 1120509120 /nfs/dbraw/zinc/50/91/20/1120509120.db2.gz RUHMVCWSTFZSGF-GWCFXTLKSA-N 0 1 285.309 3.802 20 0 CHADMN Fc1cccc(CN2CC[C@@H]3CCC[C@@H]32)c1OC(F)F ZINC000660332617 1120509122 /nfs/dbraw/zinc/50/91/22/1120509122.db2.gz RUHMVCWSTFZSGF-GWCFXTLKSA-N 0 1 285.309 3.802 20 0 CHADMN COC(=O)c1coc([C@@H](C)N[C@@H]2CCc3ccc(C)cc32)c1 ZINC000618571702 1128920912 /nfs/dbraw/zinc/92/09/12/1128920912.db2.gz NBMISYCZGGAUFV-MLGOLLRUSA-N 0 1 299.370 3.713 20 0 CHADMN Cc1cc(C)c(CN[C@@H]2COc3ccc(F)cc32)cc1C ZINC000466457616 1120510676 /nfs/dbraw/zinc/51/06/76/1120510676.db2.gz VMTKDOXEXIBNGV-QGZVFWFLSA-N 0 1 285.362 3.974 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H]2CCCC2(C)C)n1 ZINC000191290243 1120518472 /nfs/dbraw/zinc/51/84/72/1120518472.db2.gz MSILXRIMXRWVKL-GHMZBOCLSA-N 0 1 283.441 3.552 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccc(C3CC3)cc2)n1 ZINC000418111884 1120520900 /nfs/dbraw/zinc/52/09/00/1120520900.db2.gz FYQWJRGVDURQFC-CYBMUJFWSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1F ZINC000473043691 1120524908 /nfs/dbraw/zinc/52/49/08/1120524908.db2.gz FIERCHAAKQLDRY-LJQANCHMSA-N 0 1 297.373 3.766 20 0 CHADMN Fc1ccccc1-c1nc(CNC2(C3CC3)CC2)cs1 ZINC000543452180 1120525579 /nfs/dbraw/zinc/52/55/79/1120525579.db2.gz LXWLZTQHFNNLEW-UHFFFAOYSA-N 0 1 288.391 3.981 20 0 CHADMN CC(C)Cc1noc(CN[C@@H](C)[C@@H](C)C2CCCCC2)n1 ZINC000543461300 1120527772 /nfs/dbraw/zinc/52/77/72/1120527772.db2.gz YIXJWUWXNFCBPK-KGLIPLIRSA-N 0 1 293.455 3.963 20 0 CHADMN Cc1cc(C)cc(NC(=O)c2ccc(O)c(Cl)c2)c1 ZINC000019839809 1120529697 /nfs/dbraw/zinc/52/96/97/1120529697.db2.gz VIPALYDRQFCIEV-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN Fc1cccc(/C=C\CNCc2nc3c(s2)CCC3)c1 ZINC000922472118 1120541760 /nfs/dbraw/zinc/54/17/60/1120541760.db2.gz JHHGRCFKMCFLMI-HYXAFXHYSA-N 0 1 288.391 3.574 20 0 CHADMN CC[C@@H](Cc1ccccc1)N[C@@H]1CCCC1(F)F ZINC000397991379 1120543777 /nfs/dbraw/zinc/54/37/77/1120543777.db2.gz AUXZJDMEPBYEPV-UONOGXRCSA-N 0 1 253.336 3.785 20 0 CHADMN CCCc1cc(C(=O)N2CCC[C@@H]2c2ccccc2C)n[nH]1 ZINC000154353537 1120544265 /nfs/dbraw/zinc/54/42/65/1120544265.db2.gz QVLQPJCXJMNGSI-QGZVFWFLSA-N 0 1 297.402 3.648 20 0 CHADMN FC(F)(F)c1ccc(CNCc2ccoc2)s1 ZINC000428880727 1120551631 /nfs/dbraw/zinc/55/16/31/1120551631.db2.gz KJPLIJATXCGPFT-UHFFFAOYSA-N 0 1 261.268 3.650 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1ccc(F)cc1 ZINC000019943954 1120552027 /nfs/dbraw/zinc/55/20/27/1120552027.db2.gz UPKQSKSTBTVWCD-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN CC(C)(O)c1ccc(CN[C@@H](c2ccccn2)C2CC2)cc1 ZINC000922584907 1120556573 /nfs/dbraw/zinc/55/65/73/1120556573.db2.gz OLQVEWWBCHXNBT-GOSISDBHSA-N 0 1 296.414 3.550 20 0 CHADMN Cc1cc(CN[C@H](c2ccccn2)C2CC2)c(C)o1 ZINC000922584243 1120556958 /nfs/dbraw/zinc/55/69/58/1120556958.db2.gz FPMWUCKVKDGBDH-INIZCTEOSA-N 0 1 256.349 3.532 20 0 CHADMN CCOc1ccc(CN[C@H](c2ccccn2)C2CC2)cc1 ZINC000922586666 1120557885 /nfs/dbraw/zinc/55/78/85/1120557885.db2.gz ZAZUSWHIGIRXQJ-SFHVURJKSA-N 0 1 282.387 3.721 20 0 CHADMN Cc1ncoc1-c1ccc(NCc2n[nH]c(C)c2C)cc1 ZINC000922626138 1120566361 /nfs/dbraw/zinc/56/63/61/1120566361.db2.gz OQWNLURQHXCDJT-UHFFFAOYSA-N 0 1 282.347 3.602 20 0 CHADMN Cc1nc2cc(CNc3cn4ccnc4cc3C)ccc2o1 ZINC001167758135 1120568101 /nfs/dbraw/zinc/56/81/01/1120568101.db2.gz XZYQRJYGBDWJJE-UHFFFAOYSA-N 0 1 292.342 3.704 20 0 CHADMN CC(C)(/C=C\Cl)NCc1nccc2ccccc21 ZINC000922648248 1120571807 /nfs/dbraw/zinc/57/18/07/1120571807.db2.gz GCDGZNIWICTMFT-HJWRWDBZSA-N 0 1 260.768 3.856 20 0 CHADMN CSC[C@H](C)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343866024 1120571849 /nfs/dbraw/zinc/57/18/49/1120571849.db2.gz SHTZWBCAGBWPMI-NKWVEPMBSA-N 0 1 284.372 3.564 20 0 CHADMN COC(=O)c1cccc(Cl)c1C[N@@H+](C)[C@H](C)C1CCC1 ZINC000508979885 1120572224 /nfs/dbraw/zinc/57/22/24/1120572224.db2.gz SUZKWIAKOKJXNT-LLVKDONJSA-N 0 1 295.810 3.747 20 0 CHADMN COC(=O)c1cccc(Cl)c1CN(C)[C@H](C)C1CCC1 ZINC000508979885 1120572225 /nfs/dbraw/zinc/57/22/25/1120572225.db2.gz SUZKWIAKOKJXNT-LLVKDONJSA-N 0 1 295.810 3.747 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(F)cc2C)nc1 ZINC000922667736 1120575029 /nfs/dbraw/zinc/57/50/29/1120575029.db2.gz RUVFGWJBXWHOPU-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN CCCn1nccc1CN[C@H](C)c1ccc(F)cc1C ZINC000922667828 1120575393 /nfs/dbraw/zinc/57/53/93/1120575393.db2.gz SKRDYCWQJAXUGZ-CYBMUJFWSA-N 0 1 275.371 3.591 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1nc2ccccc2n1C ZINC000922667595 1120575628 /nfs/dbraw/zinc/57/56/28/1120575628.db2.gz QODNORKDERISQB-ZDUSSCGKSA-N 0 1 297.377 3.872 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1ccncc1F ZINC000922668130 1120575698 /nfs/dbraw/zinc/57/56/98/1120575698.db2.gz ZWLKROHLWXUAMR-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN COc1ccc([C@H](C)NCc2ccnn2C(C)C)cc1C ZINC000922672120 1120575900 /nfs/dbraw/zinc/57/59/00/1120575900.db2.gz MQKDJWVYORDYSS-AWEZNQCLSA-N 0 1 287.407 3.632 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1ccnn1CC(C)C ZINC000922668940 1120577002 /nfs/dbraw/zinc/57/70/02/1120577002.db2.gz JZHHSHPJQVVHNL-AWEZNQCLSA-N 0 1 289.398 3.837 20 0 CHADMN CC(C)c1ccc(O[C@H](C)CNCc2nccs2)cc1 ZINC000673609112 1120579790 /nfs/dbraw/zinc/57/97/90/1120579790.db2.gz XQGXVOGZBBPXQG-CYBMUJFWSA-N 0 1 290.432 3.824 20 0 CHADMN CCc1nc(C)c(CN(C)Cc2cc(C)ccc2C)o1 ZINC000428965840 1120590215 /nfs/dbraw/zinc/59/02/15/1120590215.db2.gz JDXMITBTURZXCO-UHFFFAOYSA-N 0 1 272.392 3.794 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CCC=C(c2ccco2)C1 ZINC000428980168 1120597330 /nfs/dbraw/zinc/59/73/30/1120597330.db2.gz UAAYJTBGWMOUCS-UHFFFAOYSA-N 0 1 286.375 3.989 20 0 CHADMN Fc1ccc2c(c1)CN([C@@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168734873 1120597727 /nfs/dbraw/zinc/59/77/27/1120597727.db2.gz MLQWXAVHUMERDG-OAHLLOKOSA-N 0 1 287.765 3.962 20 0 CHADMN CCCc1nc(C)c(CN2CCc3cccc(C)c3C2)o1 ZINC000428987837 1120600523 /nfs/dbraw/zinc/60/05/23/1120600523.db2.gz YLCYHURVAFYYSP-UHFFFAOYSA-N 0 1 284.403 3.802 20 0 CHADMN CC[C@H](CN[C@H]1CCCC1(F)F)c1ccccc1 ZINC000673618481 1120601299 /nfs/dbraw/zinc/60/12/99/1120601299.db2.gz JXGSLEDSCJFRIQ-OCCSQVGLSA-N 0 1 253.336 3.958 20 0 CHADMN CCc1nc[nH]c1C(=O)Nc1ccc(CCC(C)C)cc1 ZINC001626085853 1120602061 /nfs/dbraw/zinc/60/20/61/1120602061.db2.gz NNFRENAFXGSISL-UHFFFAOYSA-N 0 1 285.391 3.813 20 0 CHADMN Fc1ccc(CNCc2ccc(-c3cccnc3)cc2)cn1 ZINC000364446208 1120603070 /nfs/dbraw/zinc/60/30/70/1120603070.db2.gz SLBXOWWYMTUOSU-UHFFFAOYSA-N 0 1 293.345 3.573 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)oc1C ZINC000282385804 1120604438 /nfs/dbraw/zinc/60/44/38/1120604438.db2.gz XEOFPTOACIZRMX-WDEREUQCSA-N 0 1 276.384 3.550 20 0 CHADMN CS[C@@H]1CC[C@H]1N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343867997 1120607210 /nfs/dbraw/zinc/60/72/10/1120607210.db2.gz VEDUHTFPPLQDKO-XLPZGREQSA-N 0 1 296.383 3.707 20 0 CHADMN c1coc(-c2cc(-c3nc(C4CCCCC4)no3)[nH]n2)c1 ZINC000109529107 1120611436 /nfs/dbraw/zinc/61/14/36/1120611436.db2.gz ZNCCQOFRKCHHKK-UHFFFAOYSA-N 0 1 284.319 3.767 20 0 CHADMN CC(C)c1ncc(CN[C@H]2CCCc3cccnc32)s1 ZINC000922882977 1120618932 /nfs/dbraw/zinc/61/89/32/1120618932.db2.gz VOIMOVDEBJGJGJ-AWEZNQCLSA-N 0 1 287.432 3.829 20 0 CHADMN CCc1nnc([C@H](C)[N@H+]2CC[C@H](c3ccc(C)cc3C)C2)[nH]1 ZINC000660450058 1120620310 /nfs/dbraw/zinc/62/03/10/1120620310.db2.gz XEULWZIAXKCUND-GJZGRUSLSA-N 0 1 298.434 3.534 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@H](c3ccc(C)cc3C)C2)[nH]1 ZINC000660450058 1120620314 /nfs/dbraw/zinc/62/03/14/1120620314.db2.gz XEULWZIAXKCUND-GJZGRUSLSA-N 0 1 298.434 3.534 20 0 CHADMN CCc1ccc(CN(Cc2ccccc2)C2CC2)nc1 ZINC000338889585 1120620690 /nfs/dbraw/zinc/62/06/90/1120620690.db2.gz GLEBBPZYNSKZTL-UHFFFAOYSA-N 0 1 266.388 3.809 20 0 CHADMN Clc1csc(CN[C@H]2CCCc3cccnc32)c1 ZINC000922884100 1120621246 /nfs/dbraw/zinc/62/12/46/1120621246.db2.gz NFLRVTBDGFIWPY-ZDUSSCGKSA-N 0 1 278.808 3.964 20 0 CHADMN Cc1ccc(F)c(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1 ZINC000511665450 1120624398 /nfs/dbraw/zinc/62/43/98/1120624398.db2.gz RWGLQLVDPDAUOC-IBGZPJMESA-N 0 1 299.389 3.880 20 0 CHADMN Cc1ccc(F)c(CN(C)C[C@@H]2OCCc3ccccc32)c1 ZINC000511665450 1120624399 /nfs/dbraw/zinc/62/43/99/1120624399.db2.gz RWGLQLVDPDAUOC-IBGZPJMESA-N 0 1 299.389 3.880 20 0 CHADMN Cc1ccc(F)c(C[N@@H+](C)C[C@H]2OCCc3ccccc32)c1 ZINC000511665451 1120625089 /nfs/dbraw/zinc/62/50/89/1120625089.db2.gz RWGLQLVDPDAUOC-LJQANCHMSA-N 0 1 299.389 3.880 20 0 CHADMN Cc1ccc(F)c(CN(C)C[C@H]2OCCc3ccccc32)c1 ZINC000511665451 1120625093 /nfs/dbraw/zinc/62/50/93/1120625093.db2.gz RWGLQLVDPDAUOC-LJQANCHMSA-N 0 1 299.389 3.880 20 0 CHADMN Fc1cccc(-c2noc(-c3cc(-c4ccco4)n[nH]3)n2)c1 ZINC000109605997 1120626308 /nfs/dbraw/zinc/62/63/08/1120626308.db2.gz HBZDOOWKTYERDI-UHFFFAOYSA-N 0 1 296.261 3.526 20 0 CHADMN Fc1ccccc1-c1nc(CN2CCCCCC2)co1 ZINC000625068196 1120627821 /nfs/dbraw/zinc/62/78/21/1120627821.db2.gz JCFOCLYETUIWQF-UHFFFAOYSA-N 0 1 274.339 3.857 20 0 CHADMN CC(C)CC[N@@H+](C)Cc1coc(-c2ccccc2F)n1 ZINC000625091705 1120631752 /nfs/dbraw/zinc/63/17/52/1120631752.db2.gz ZIKVBPPTDREQJN-UHFFFAOYSA-N 0 1 276.355 3.959 20 0 CHADMN CC(C)CCN(C)Cc1coc(-c2ccccc2F)n1 ZINC000625091705 1120631754 /nfs/dbraw/zinc/63/17/54/1120631754.db2.gz ZIKVBPPTDREQJN-UHFFFAOYSA-N 0 1 276.355 3.959 20 0 CHADMN C(c1noc(C2CCC2)n1)N(CC1CC1)C1CCCCC1 ZINC000625138728 1120638572 /nfs/dbraw/zinc/63/85/72/1120638572.db2.gz KKCAOGUPTVSJMP-UHFFFAOYSA-N 0 1 289.423 3.882 20 0 CHADMN CC[C@H](CC(F)F)CN1CCOc2cc(OC)ccc2C1 ZINC000660489541 1120638898 /nfs/dbraw/zinc/63/88/98/1120638898.db2.gz LIGCIHDDOBUWFL-GFCCVEGCSA-N 0 1 299.361 3.571 20 0 CHADMN CC(=O)[C@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 ZINC000312866136 1120642296 /nfs/dbraw/zinc/64/22/96/1120642296.db2.gz ZESFWQFMCPLNAA-LBPRGKRZSA-N 0 1 285.309 3.506 20 0 CHADMN CC(=O)[C@@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 ZINC000312866132 1120642634 /nfs/dbraw/zinc/64/26/34/1120642634.db2.gz ZESFWQFMCPLNAA-GFCCVEGCSA-N 0 1 285.309 3.506 20 0 CHADMN COC(=O)c1cc([C@H](C)N[C@@H](C)c2ccccc2)oc1C ZINC000292485006 1120644683 /nfs/dbraw/zinc/64/46/83/1120644683.db2.gz RAVMQVCEHNOAND-RYUDHWBXSA-N 0 1 287.359 3.786 20 0 CHADMN COCc1ccccc1/C=C(/C)CN1CC[C@@](C)(F)C1 ZINC000509115089 1120645279 /nfs/dbraw/zinc/64/52/79/1120645279.db2.gz XTVLNWSHHHIAIV-OOXMNIKJSA-N 0 1 277.383 3.670 20 0 CHADMN CCC[C@H](C)CCCN1CCN([C@H](C)C(F)(F)F)CC1 ZINC000625214172 1120648352 /nfs/dbraw/zinc/64/83/52/1120648352.db2.gz FTXMJBPXFUQDLC-UONOGXRCSA-N 0 1 294.405 3.771 20 0 CHADMN COc1cc(CN2C[C@@H](C)CC[C@@H]2c2ccccc2)on1 ZINC000660538372 1120652153 /nfs/dbraw/zinc/65/21/53/1120652153.db2.gz GKMSGBWUGUXWDT-XJKSGUPXSA-N 0 1 286.375 3.656 20 0 CHADMN COc1cncc(CN[C@H](c2ccccc2)C2CCCC2)n1 ZINC000625254041 1120654627 /nfs/dbraw/zinc/65/46/27/1120654627.db2.gz PASFYCZHRQQPSQ-GOSISDBHSA-N 0 1 297.402 3.506 20 0 CHADMN Fc1ccc(/C=C/CN2CCCC3(CC3)C2)c(F)c1 ZINC000473077001 1120655783 /nfs/dbraw/zinc/65/57/83/1120655783.db2.gz LCDFIFPXRSRUOQ-HNQUOIGGSA-N 0 1 263.331 3.854 20 0 CHADMN C[C@@H]1CCCC[C@@H]1CCNC(=O)c1n[nH]c2ccccc21 ZINC000511823247 1120655870 /nfs/dbraw/zinc/65/58/70/1120655870.db2.gz GFGPKANSYRGLEM-CHWSQXEVSA-N 0 1 285.391 3.509 20 0 CHADMN CC[C@H](NCc1noc(C2CCC2)n1)C1CCCCC1 ZINC000625304551 1120666694 /nfs/dbraw/zinc/66/66/94/1120666694.db2.gz LDYWZIZIYBPNAU-AWEZNQCLSA-N 0 1 277.412 3.786 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)CC3CCCCC3)n2)cc1 ZINC000028788195 1120668704 /nfs/dbraw/zinc/66/87/04/1120668704.db2.gz PEEQLUPRLJLUGH-UHFFFAOYSA-N 0 1 298.390 3.689 20 0 CHADMN CCc1ccc([C@H]2CCN(Cc3coc(C)n3)C2)cc1 ZINC000660621819 1120669770 /nfs/dbraw/zinc/66/97/70/1120669770.db2.gz BXDPHENJWKQOBP-INIZCTEOSA-N 0 1 270.376 3.535 20 0 CHADMN Cc1ccc(-c2noc(CN(C)[C@@H](C)C(C)C)n2)cc1 ZINC000642330259 1120677015 /nfs/dbraw/zinc/67/70/15/1120677015.db2.gz IUCXABOXIMHNEM-ZDUSSCGKSA-N 0 1 273.380 3.521 20 0 CHADMN Fc1ccccc1-n1ccc(CN(C2CCC2)C2CCC2)n1 ZINC000429142235 1120677258 /nfs/dbraw/zinc/67/72/58/1120677258.db2.gz NMLZTQKLCFUIOR-UHFFFAOYSA-N 0 1 299.393 3.918 20 0 CHADMN Cc1ccccc1[C@@H](CO)Nc1ccnc2cc(F)ccc21 ZINC000673817668 1120678260 /nfs/dbraw/zinc/67/82/60/1120678260.db2.gz XIKOLBQTYIYHKI-GOSISDBHSA-N 0 1 296.345 3.828 20 0 CHADMN CCO[C@@H](CN1CCCn2c(cc3ccccc32)C1)C1CC1 ZINC000625430387 1120679432 /nfs/dbraw/zinc/67/94/32/1120679432.db2.gz OAICYMSSNRWPTC-IBGZPJMESA-N 0 1 298.430 3.662 20 0 CHADMN Clc1ccc2ncc(CN3CCC[C@@H]4CCC[C@H]43)n2c1 ZINC000511872700 1120682107 /nfs/dbraw/zinc/68/21/07/1120682107.db2.gz IZXRHEJMUDJRBF-SWLSCSKDSA-N 0 1 289.810 3.752 20 0 CHADMN CCC(C)(C)OCCNCc1cscc1Cl ZINC000651619369 1120683205 /nfs/dbraw/zinc/68/32/05/1120683205.db2.gz VOIGNYAUKJJQRI-UHFFFAOYSA-N 0 1 261.818 3.696 20 0 CHADMN Cc1ccc2nc(S[C@H]3C[C@H](C)CCC3=O)[nH]c2c1 ZINC000450619343 1128933172 /nfs/dbraw/zinc/93/31/72/1128933172.db2.gz AYEDFQWPCPITRZ-YGRLFVJLSA-N 0 1 274.389 3.721 20 0 CHADMN CN(CCC(C)(C)C1CC1)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660768182 1120685657 /nfs/dbraw/zinc/68/56/57/1120685657.db2.gz QOYDJPHVTPHIAJ-INIZCTEOSA-N 0 1 298.434 3.652 20 0 CHADMN CCC[C@@H](NCc1nnc(C(F)(F)F)s1)C1CCC1 ZINC000660783523 1120689419 /nfs/dbraw/zinc/68/94/19/1120689419.db2.gz QVZPELWBAKYPPY-SECBINFHSA-N 0 1 293.358 3.615 20 0 CHADMN C[C@H](NC[C@@H]1CC[C@@H](c2ccccc2)C1)c1csnn1 ZINC000660805414 1120689604 /nfs/dbraw/zinc/68/96/04/1120689604.db2.gz BWUPQWJBTWYZTQ-GZBFAFLISA-N 0 1 287.432 3.773 20 0 CHADMN CC(C)C[C@@H]1CCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000253549098 1128933870 /nfs/dbraw/zinc/93/38/70/1128933870.db2.gz KATTZYZRADFVPU-KGLIPLIRSA-N 0 1 299.418 3.764 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@@H]1NCc1nc2c(s1)CCC2 ZINC000093075031 1120694025 /nfs/dbraw/zinc/69/40/25/1120694025.db2.gz XFMIPVLKDUGILU-PIGZYNQJSA-N 0 1 284.428 3.655 20 0 CHADMN CC(C)c1cccc(CN2CCO[C@]3(CCSC3)C2)c1 ZINC000660898918 1120698520 /nfs/dbraw/zinc/69/85/20/1120698520.db2.gz ONZDSXNMVTZIMI-QGZVFWFLSA-N 0 1 291.460 3.518 20 0 CHADMN CSc1cccc(CN2C[C@@H](C)OC3(CCC3)C2)c1 ZINC000660906045 1120699203 /nfs/dbraw/zinc/69/92/03/1120699203.db2.gz QQBRSCTYFLPJCV-CYBMUJFWSA-N 0 1 277.433 3.552 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000629772633 1128934346 /nfs/dbraw/zinc/93/43/46/1128934346.db2.gz UGWQANMJPTWNEG-ILXRZTDVSA-N 0 1 269.429 3.636 20 0 CHADMN O=C(Nc1ccc2ccccc2c1)c1cn[nH]c1C1CC1 ZINC000186925705 1120701168 /nfs/dbraw/zinc/70/11/68/1120701168.db2.gz WIFMCAWXDJZLEH-UHFFFAOYSA-N 0 1 277.327 3.693 20 0 CHADMN CC(C)C[C@H](C)Oc1ccc(F)cc1CN(C)C ZINC001229853172 1120701306 /nfs/dbraw/zinc/70/13/06/1120701306.db2.gz DIJFXTWPADBCSS-LBPRGKRZSA-N 0 1 253.361 3.701 20 0 CHADMN Cc1c2ccccc2oc1CNCc1ccc(F)nc1C ZINC000785470325 1120701934 /nfs/dbraw/zinc/70/19/34/1120701934.db2.gz NMYYNCBOKKYVJY-UHFFFAOYSA-N 0 1 284.334 3.874 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2n[nH]cc21)c1ccc(F)cc1Cl ZINC000334521614 1120708869 /nfs/dbraw/zinc/70/88/69/1120708869.db2.gz LMFUAONADUPEEF-YMTOWFKASA-N 0 1 293.773 3.930 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)Cc1cnc[nH]1 ZINC000661086562 1120715237 /nfs/dbraw/zinc/71/52/37/1120715237.db2.gz CMOAEOPIBWYBMW-CYBMUJFWSA-N 0 1 271.408 3.900 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2ccccn2)c(C)c1 ZINC000893421345 1120717846 /nfs/dbraw/zinc/71/78/46/1120717846.db2.gz RRSJBUACAVOUHV-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@H]2CCCC23CCCCC3)n1 ZINC000661126662 1120721627 /nfs/dbraw/zinc/72/16/27/1120721627.db2.gz GZDVPKPAODCJQE-KBPBESRZSA-N 0 1 289.423 3.644 20 0 CHADMN CCc1cccc(CNc2ccc3c(c2)CN(C)C3)c1 ZINC000651754014 1120734855 /nfs/dbraw/zinc/73/48/55/1120734855.db2.gz QDWNVNTYOJEDCI-UHFFFAOYSA-N 0 1 266.388 3.807 20 0 CHADMN COCCN(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000044895212 1120737195 /nfs/dbraw/zinc/73/71/95/1120737195.db2.gz ZZHUCBLMZONKBP-SECBINFHSA-N 0 1 262.180 3.633 20 0 CHADMN COCc1nc(C[N@H+]2CCCC3(CCCC3)CC2)cs1 ZINC000661229216 1120740188 /nfs/dbraw/zinc/74/01/88/1120740188.db2.gz BHPCABWPSDIPKW-UHFFFAOYSA-N 0 1 294.464 3.836 20 0 CHADMN COCc1nc(CN2CCCC3(CCCC3)CC2)cs1 ZINC000661229216 1120740192 /nfs/dbraw/zinc/74/01/92/1120740192.db2.gz BHPCABWPSDIPKW-UHFFFAOYSA-N 0 1 294.464 3.836 20 0 CHADMN Cc1nc(C)c([C@@H](C)NCc2ccoc2C)s1 ZINC000320889271 1120740602 /nfs/dbraw/zinc/74/06/02/1120740602.db2.gz HOQTWJHCKZPGBJ-MRVPVSSYSA-N 0 1 250.367 3.512 20 0 CHADMN CCCc1noc(C[N@H+]2CCCC3(CCCC3)CC2)n1 ZINC000661228851 1120741366 /nfs/dbraw/zinc/74/13/66/1120741366.db2.gz WBIROCZYPNLPCK-UHFFFAOYSA-N 0 1 277.412 3.568 20 0 CHADMN CCCc1noc(CN2CCCC3(CCCC3)CC2)n1 ZINC000661228851 1120741372 /nfs/dbraw/zinc/74/13/72/1120741372.db2.gz WBIROCZYPNLPCK-UHFFFAOYSA-N 0 1 277.412 3.568 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1nnc(-c2ccccc2)o1 ZINC000661234521 1120742466 /nfs/dbraw/zinc/74/24/66/1120742466.db2.gz NODVPNKMWGCJMB-GFCCVEGCSA-N 0 1 273.380 3.651 20 0 CHADMN COc1cc(F)c(CN[C@H](C)c2ccsc2)cc1OC ZINC000651795534 1120747898 /nfs/dbraw/zinc/74/78/98/1120747898.db2.gz DBKCTQCOZWSGRB-SNVBAGLBSA-N 0 1 295.379 3.755 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1cccc2c1CCC2 ZINC000651806626 1120750903 /nfs/dbraw/zinc/75/09/03/1120750903.db2.gz RHGBUWFCJPSCDM-UHFFFAOYSA-N 0 1 284.403 3.805 20 0 CHADMN Cc1cccnc1CN(C)CCOc1ccc(Cl)cc1 ZINC000093158550 1128937797 /nfs/dbraw/zinc/93/77/97/1128937797.db2.gz WUCCHBCDCMDPAX-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@H+](CCC1CCCCC1)CC2 ZINC000385094520 1128937922 /nfs/dbraw/zinc/93/79/22/1128937922.db2.gz LXUIAHUHICFIJG-UHFFFAOYSA-N 0 1 287.403 3.713 20 0 CHADMN c1c(CN2CCC(C3CCC3)CC2)onc1C1CC1 ZINC000661377130 1120757264 /nfs/dbraw/zinc/75/72/64/1120757264.db2.gz LOAMORPMXQOVPN-UHFFFAOYSA-N 0 1 260.381 3.564 20 0 CHADMN COc1cccc(SCCN[C@@H](C)c2cscn2)c1 ZINC000661413182 1120763747 /nfs/dbraw/zinc/76/37/47/1120763747.db2.gz ATKQBKYBEJPQTN-NSHDSACASA-N 0 1 294.445 3.595 20 0 CHADMN C[C@@H]1CC[C@H](CN2CC3(CCCC3)[C@@H]2c2ccco2)O1 ZINC000661437414 1120767367 /nfs/dbraw/zinc/76/73/67/1120767367.db2.gz LNWBLZISIUVGDB-FMKPAKJESA-N 0 1 275.392 3.764 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000651875816 1120769259 /nfs/dbraw/zinc/76/92/59/1120769259.db2.gz HMMFHYDRUOVMQY-KGLIPLIRSA-N 0 1 283.375 3.636 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H](OC(C)C)C2)cc1F ZINC000651898046 1120771517 /nfs/dbraw/zinc/77/15/17/1120771517.db2.gz ROIUBJHIUNTGDI-OAHLLOKOSA-N 0 1 295.398 3.614 20 0 CHADMN COCc1ccc(CN2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000661510720 1120773997 /nfs/dbraw/zinc/77/39/97/1120773997.db2.gz VSYDABLJTOWTNF-GOSISDBHSA-N 0 1 285.362 3.919 20 0 CHADMN C/C=C/C[C@@H]1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000629873915 1128939615 /nfs/dbraw/zinc/93/96/15/1128939615.db2.gz RRBHFNSYXBVXFH-VBROQKIQSA-N 0 1 289.423 3.660 20 0 CHADMN Cc1ccc(CN2CC3(CCOCC3)[C@H]2c2ccco2)cc1 ZINC000661562400 1120779758 /nfs/dbraw/zinc/77/97/58/1120779758.db2.gz RMIIBZFALCZIOO-GOSISDBHSA-N 0 1 297.398 3.942 20 0 CHADMN CCC[N@@H+](CCc1cccc(F)c1)[C@H](C)c1nc(C)no1 ZINC000662891963 1120781085 /nfs/dbraw/zinc/78/10/85/1120781085.db2.gz NAXLTQBRYCJHMU-GFCCVEGCSA-N 0 1 291.370 3.533 20 0 CHADMN CCCN(CCc1cccc(F)c1)[C@H](C)c1nc(C)no1 ZINC000662891963 1120781089 /nfs/dbraw/zinc/78/10/89/1120781089.db2.gz NAXLTQBRYCJHMU-GFCCVEGCSA-N 0 1 291.370 3.533 20 0 CHADMN c1csc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)n1 ZINC000661577471 1120781099 /nfs/dbraw/zinc/78/10/99/1120781099.db2.gz BHGKQLCZCQETKQ-CYBMUJFWSA-N 0 1 250.411 3.545 20 0 CHADMN c1csc(CN2CC[C@@H](C3CCCCC3)C2)n1 ZINC000661577471 1120781102 /nfs/dbraw/zinc/78/11/02/1120781102.db2.gz BHGKQLCZCQETKQ-CYBMUJFWSA-N 0 1 250.411 3.545 20 0 CHADMN CCc1nnc([C@@H](C)N2CC[C@H](C3CCCCC3)C2)o1 ZINC000661585937 1120782220 /nfs/dbraw/zinc/78/22/20/1120782220.db2.gz MUBRZCROTZFUGT-OCCSQVGLSA-N 0 1 277.412 3.595 20 0 CHADMN CCN[C@H](C)c1nc(-c2cccc3ccccc32)no1 ZINC000109510175 1120785030 /nfs/dbraw/zinc/78/50/30/1120785030.db2.gz STAPJXNAAOXERF-LLVKDONJSA-N 0 1 267.332 3.560 20 0 CHADMN Cc1ccc(CNCc2ccc3c(c2)CC(C)(C)O3)nc1C ZINC000313809753 1120791103 /nfs/dbraw/zinc/79/11/03/1120791103.db2.gz IFFUKULQKSVQKS-UHFFFAOYSA-N 0 1 296.414 3.702 20 0 CHADMN FCC[C@H]1CCCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000661693563 1120796353 /nfs/dbraw/zinc/79/63/53/1120796353.db2.gz PHCFRIWLOSYOMD-CQSZACIVSA-N 0 1 279.403 3.570 20 0 CHADMN c1coc(-c2noc(CN(C3CC3)C3CCCCC3)n2)c1 ZINC000048008992 1120801128 /nfs/dbraw/zinc/80/11/28/1120801128.db2.gz ACEROGNUDCDCOM-UHFFFAOYSA-N 0 1 287.363 3.627 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1cccc2ccsc21 ZINC000652219793 1120801692 /nfs/dbraw/zinc/80/16/92/1120801692.db2.gz MEQSWANWKAGRDQ-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN C/C=C\C[C@H]1CCCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000629884534 1128941355 /nfs/dbraw/zinc/94/13/55/1128941355.db2.gz ZECBUACDSFQNFC-NQHOJNORSA-N 0 1 297.402 3.690 20 0 CHADMN CC[N@@H+](CCc1ccccc1)Cc1cc(O)cc(F)c1 ZINC000473139954 1120802293 /nfs/dbraw/zinc/80/22/93/1120802293.db2.gz ONBLFKXQZIMTEX-UHFFFAOYSA-N 0 1 273.351 3.596 20 0 CHADMN CC[C@H]1CCCCN1CC(=O)Nc1cccc(C)c1C ZINC000048418882 1120819076 /nfs/dbraw/zinc/81/90/76/1120819076.db2.gz HAJYRFCERRNCSH-HNNXBMFYSA-N 0 1 274.408 3.506 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(O)cc(F)c1 ZINC000473150041 1120819968 /nfs/dbraw/zinc/81/99/68/1120819968.db2.gz WJJUFUZIKZJCQE-AXAPSJFSSA-N 0 1 263.356 3.684 20 0 CHADMN C[N@H+](Cc1nc(C(C)(C)C)co1)C[C@H]1CC=CCC1 ZINC000893522112 1120820252 /nfs/dbraw/zinc/82/02/52/1120820252.db2.gz LLVOPTDRCSGRBT-ZDUSSCGKSA-N 0 1 262.397 3.760 20 0 CHADMN CN(Cc1nc(C(C)(C)C)co1)C[C@H]1CC=CCC1 ZINC000893522112 1120820254 /nfs/dbraw/zinc/82/02/54/1120820254.db2.gz LLVOPTDRCSGRBT-ZDUSSCGKSA-N 0 1 262.397 3.760 20 0 CHADMN OC[C@@H](NCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000062998944 1120820526 /nfs/dbraw/zinc/82/05/26/1120820526.db2.gz YPBUWKRJGGRUJZ-OAHLLOKOSA-N 0 1 296.197 3.817 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N(Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000661861732 1120826397 /nfs/dbraw/zinc/82/63/97/1120826397.db2.gz VCZMKVXNNAMPDS-CHWSQXEVSA-N 0 1 288.439 3.501 20 0 CHADMN C[C@@H](NC1(c2ccc(C(F)(F)F)cc2)CC1)c1cn[nH]c1 ZINC000652329077 1120828240 /nfs/dbraw/zinc/82/82/40/1120828240.db2.gz JKELDOMKUZRBFU-SNVBAGLBSA-N 0 1 295.308 3.768 20 0 CHADMN Cc1[nH]ncc1[C@H](C)Nc1cnn(-c2ccc(C)cc2)c1C ZINC000652331482 1120830659 /nfs/dbraw/zinc/83/06/59/1120830659.db2.gz IOSSPJGLWJJDLA-LBPRGKRZSA-N 0 1 295.390 3.694 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661873236 1120830927 /nfs/dbraw/zinc/83/09/27/1120830927.db2.gz DNWRIJUKZQWQGF-CXAGYDPISA-N 0 1 295.373 3.746 20 0 CHADMN Cn1ccc(CNCc2ccc(F)c(Cl)c2Cl)c1 ZINC000432249378 1120843207 /nfs/dbraw/zinc/84/32/07/1120843207.db2.gz FFGLVNRFWXCJST-UHFFFAOYSA-N 0 1 287.165 3.761 20 0 CHADMN C[C@H](c1ccccc1F)N1CCC2(CCCC2=O)CC1 ZINC000661953320 1120845647 /nfs/dbraw/zinc/84/56/47/1120845647.db2.gz AEEAEGQJVVDLGR-CYBMUJFWSA-N 0 1 275.367 3.722 20 0 CHADMN Cc1cc(CN(C)[C@@H]2CCc3ccccc32)sn1 ZINC000637887240 1129235049 /nfs/dbraw/zinc/23/50/49/1129235049.db2.gz QLAHZFKLDQAGTG-OAHLLOKOSA-N 0 1 258.390 3.571 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccncc2)c2c(n1)CCCC2 ZINC000893540136 1120851818 /nfs/dbraw/zinc/85/18/18/1120851818.db2.gz PJOJQGDNEASRMA-OAHLLOKOSA-N 0 1 295.430 3.857 20 0 CHADMN C[C@H]([N@@H+](C)CC[C@@H](C(=O)[O-])c1ccccc1)C(C)(C)C ZINC000652394433 1120852678 /nfs/dbraw/zinc/85/26/78/1120852678.db2.gz GXJAYLTVKWYNMG-DZGCQCFKSA-N 0 1 277.408 3.611 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000652408857 1120856940 /nfs/dbraw/zinc/85/69/40/1120856940.db2.gz AEKKOFFWHQGCID-IRXDYDNUSA-N 0 1 289.419 3.900 20 0 CHADMN O=C([O-])CCCCC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000652418440 1120859271 /nfs/dbraw/zinc/85/92/71/1120859271.db2.gz OHBIPDYEIWYNOP-UHFFFAOYSA-N 0 1 293.382 3.683 20 0 CHADMN C[N@@H+](CCC(C)(C)C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000652417111 1120859500 /nfs/dbraw/zinc/85/95/00/1120859500.db2.gz YJBZBHFTRLACJN-UHFFFAOYSA-N 0 1 283.799 3.906 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000652425403 1120860603 /nfs/dbraw/zinc/86/06/03/1120860603.db2.gz QAXXWIFDLWBMMH-AWEZNQCLSA-N 0 1 279.355 3.534 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N2[C@H](C)CCC2(C)C)o1 ZINC000662027622 1120860997 /nfs/dbraw/zinc/86/09/97/1120860997.db2.gz RFPKWONCQNWHIG-CYBMUJFWSA-N 0 1 292.423 3.525 20 0 CHADMN Cc1ccc(F)c(C[N@H+](C)Cc2ccsc2C(=O)[O-])c1 ZINC000652433324 1120861108 /nfs/dbraw/zinc/86/11/08/1120861108.db2.gz GTCCLIGTGRZQIT-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN Cc1ccc(F)c(C[N@@H+](C)Cc2ccsc2C(=O)[O-])c1 ZINC000652433324 1120861110 /nfs/dbraw/zinc/86/11/10/1120861110.db2.gz GTCCLIGTGRZQIT-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN Cc1ccc(C)c(-c2ccc([C@@H]3COCCN3)cc2)c1 ZINC000630050622 1128945375 /nfs/dbraw/zinc/94/53/75/1128945375.db2.gz DEVINEXIIJGPTN-SFHVURJKSA-N 0 1 267.372 3.631 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662035717 1120861959 /nfs/dbraw/zinc/86/19/59/1120861959.db2.gz ABVINVBQKIDSEF-TZMCWYRMSA-N 0 1 291.439 3.940 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CCC[C@@H](C2CCC2)C1 ZINC000662035717 1120861962 /nfs/dbraw/zinc/86/19/62/1120861962.db2.gz ABVINVBQKIDSEF-TZMCWYRMSA-N 0 1 291.439 3.940 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CCC[C@@H](C2CCC2)C1 ZINC000662042076 1120863664 /nfs/dbraw/zinc/86/36/64/1120863664.db2.gz AXRNTTFGJSVBFW-BXUZGUMPSA-N 0 1 275.396 3.520 20 0 CHADMN C[C@H]1CC[C@@]2(CC[N@@H+](Cc3ccc(C(=O)[O-])cc3F)C2)C1 ZINC000652442966 1120865452 /nfs/dbraw/zinc/86/54/52/1120865452.db2.gz CRGPAIOAVAITMI-YVEFUNNKSA-N 0 1 291.366 3.536 20 0 CHADMN CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC000652451007 1120866041 /nfs/dbraw/zinc/86/60/41/1120866041.db2.gz NVZGIPNZABAYAV-OCCSQVGLSA-N 0 1 291.391 3.626 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H](C)[C@H](C)C1)c1nc(C(C)(C)C)no1 ZINC000248666627 1120878911 /nfs/dbraw/zinc/87/89/11/1120878911.db2.gz WSCXQQDPXWYHNJ-FVCCEPFGSA-N 0 1 279.428 3.842 20 0 CHADMN C[C@H](N[C@@H]1CC[C@H](C)[C@H](C)C1)c1nc(C(C)(C)C)no1 ZINC000248666628 1120879072 /nfs/dbraw/zinc/87/90/72/1120879072.db2.gz WSCXQQDPXWYHNJ-QNWHQSFQSA-N 0 1 279.428 3.842 20 0 CHADMN COc1c(F)cccc1CN1Cc2ccccc2[C@@H](C)C1 ZINC001143521805 1120879904 /nfs/dbraw/zinc/87/99/04/1120879904.db2.gz IIDXBINKGCMQLI-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN Cc1ccc(CNc2ccc3c(c2)CN(C)C3)c(F)c1 ZINC000631095088 1120880032 /nfs/dbraw/zinc/88/00/32/1120880032.db2.gz RFSHBBMAQOVZDH-UHFFFAOYSA-N 0 1 270.351 3.692 20 0 CHADMN CC(C)c1noc(CN2CCCC[C@H]2CC2CCC2)n1 ZINC000662154656 1120885995 /nfs/dbraw/zinc/88/59/95/1120885995.db2.gz BWYSRCHJLPDFLU-AWEZNQCLSA-N 0 1 277.412 3.738 20 0 CHADMN CCCCC[C@@H]1CCCCN1Cc1nc(C2CC2)no1 ZINC000662157970 1120888578 /nfs/dbraw/zinc/88/85/78/1120888578.db2.gz YRJZVCQLVSPKFD-CQSZACIVSA-N 0 1 277.412 3.882 20 0 CHADMN CC[C@@H]1CCC[C@H](C)N1Cc1nc(Cc2ccccc2)no1 ZINC000662158568 1120888800 /nfs/dbraw/zinc/88/88/00/1120888800.db2.gz UQPBUNRBAPLQJX-GOEBONIOSA-N 0 1 299.418 3.813 20 0 CHADMN C(c1nnc(C2CC2)o1)N1CCC[C@@H](C2CCCCC2)C1 ZINC000662200094 1120896593 /nfs/dbraw/zinc/89/65/93/1120896593.db2.gz CXRYTOMUCOXFHL-OAHLLOKOSA-N 0 1 289.423 3.739 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N(C)C[C@@H]1CCc2ccccc21 ZINC000662199660 1120896822 /nfs/dbraw/zinc/89/68/22/1120896822.db2.gz SXCSITUYMOFFEZ-DOMZBBRYSA-N 0 1 297.402 3.670 20 0 CHADMN NC1(c2noc([C@H]3CCC[C@H]3Cc3ccccc3)n2)CCC1 ZINC000663250161 1120899303 /nfs/dbraw/zinc/89/93/03/1120899303.db2.gz CRWKRYYZPZDVLP-GJZGRUSLSA-N 0 1 297.402 3.534 20 0 CHADMN NC1(c2noc([C@@H]3CCC[C@H]3Cc3ccccc3)n2)CCC1 ZINC000663250166 1120899591 /nfs/dbraw/zinc/89/95/91/1120899591.db2.gz CRWKRYYZPZDVLP-LSDHHAIUSA-N 0 1 297.402 3.534 20 0 CHADMN c1ccc(C[C@@H]2CCC[C@H]2c2nc([C@@H]3CCCN3)no2)cc1 ZINC000663252084 1120900529 /nfs/dbraw/zinc/90/05/29/1120900529.db2.gz YPDVIPJUDKSLGC-XHSDSOJGSA-N 0 1 297.402 3.621 20 0 CHADMN c1cc(-c2nc([C@@H]3CCCN3)no2)cc(C2CCCC2)c1 ZINC000663251097 1120900759 /nfs/dbraw/zinc/90/07/59/1120900759.db2.gz JAYGLUSRJNUWTG-HNNXBMFYSA-N 0 1 283.375 3.819 20 0 CHADMN CCOc1ccc(CNc2ccc3c[nH]nc3c2)c(C)c1 ZINC000630070034 1128947885 /nfs/dbraw/zinc/94/78/85/1128947885.db2.gz PZWKFWDEWKLDBR-UHFFFAOYSA-N 0 1 281.359 3.882 20 0 CHADMN CC[N@H+](Cc1sc2ccccc2c1Cl)[C@@H](C)C(=O)[O-] ZINC000662214339 1120902977 /nfs/dbraw/zinc/90/29/77/1120902977.db2.gz FGSYQWSTVRBDIB-VIFPVBQESA-N 0 1 297.807 3.850 20 0 CHADMN CC[N@@H+](Cc1sc2ccccc2c1Cl)[C@@H](C)C(=O)[O-] ZINC000662214339 1120902981 /nfs/dbraw/zinc/90/29/81/1120902981.db2.gz FGSYQWSTVRBDIB-VIFPVBQESA-N 0 1 297.807 3.850 20 0 CHADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000662217228 1120903893 /nfs/dbraw/zinc/90/38/93/1120903893.db2.gz WXRHNDPMEZPGPJ-HIFRSBDPSA-N 0 1 289.419 3.527 20 0 CHADMN CC(C)Cc1ccc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)cc1 ZINC000662223516 1120905867 /nfs/dbraw/zinc/90/58/67/1120905867.db2.gz OAPQETBVAGLROL-UHFFFAOYSA-N 0 1 291.435 3.818 20 0 CHADMN c1cc2cc(CNc3ccc4c[nH]nc4c3)ccc2o1 ZINC000630070098 1128948859 /nfs/dbraw/zinc/94/88/59/1128948859.db2.gz TUAKCYPFELYDIM-UHFFFAOYSA-N 0 1 263.300 3.921 20 0 CHADMN CC[C@@H](OCC[N@@H+](C)CC1=CCSC1)c1ccccc1 ZINC000662266795 1120913997 /nfs/dbraw/zinc/91/39/97/1120913997.db2.gz MLVCENJYZJFKGL-QGZVFWFLSA-N 0 1 291.460 3.759 20 0 CHADMN Cc1scc(CN2CC(C)(CC(F)F)C2)c1C ZINC000630076804 1128949258 /nfs/dbraw/zinc/94/92/58/1128949258.db2.gz OMUMFNHOQIPJIW-UHFFFAOYSA-N 0 1 259.365 3.842 20 0 CHADMN Cc1ccc(CN[C@]2(c3ccccc3)CC2(C)C)nc1 ZINC000662342469 1120927978 /nfs/dbraw/zinc/92/79/78/1120927978.db2.gz FKFASJKPVOYJDP-SFHVURJKSA-N 0 1 266.388 3.805 20 0 CHADMN COc1cc(CN[C@@]2(c3ccccc3)CC2(C)C)sn1 ZINC000662339661 1120928570 /nfs/dbraw/zinc/92/85/70/1120928570.db2.gz BLIRILDGSXGUDE-MRXNPFEDSA-N 0 1 288.416 3.567 20 0 CHADMN COc1cc(CN[C@]2(c3ccccc3)CC2(C)C)ccn1 ZINC000662342679 1120928756 /nfs/dbraw/zinc/92/87/56/1120928756.db2.gz JCVIKURFCQOLRB-SFHVURJKSA-N 0 1 282.387 3.505 20 0 CHADMN Cc1oc(-c2ccccc2)nc1CN1CC2CC1(C)C2 ZINC000662380153 1120931774 /nfs/dbraw/zinc/93/17/74/1120931774.db2.gz LEJVVTMCLWADLE-UHFFFAOYSA-N 0 1 268.360 3.634 20 0 CHADMN C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ccnn2C2CCC2)C1 ZINC000893570522 1120933949 /nfs/dbraw/zinc/93/39/49/1120933949.db2.gz FNVIGJNEBNZFLI-KDOFPFPSSA-N 0 1 296.418 3.586 20 0 CHADMN Cc1cc(-c2nnc(C[N@H+]3C[C@H](C)CC[C@@H]3C)o2)c(C)o1 ZINC000162118588 1120935896 /nfs/dbraw/zinc/93/58/96/1120935896.db2.gz LOCLTLSGRYXVJU-MNOVXSKESA-N 0 1 289.379 3.567 20 0 CHADMN Cc1cc(-c2nnc(CN3C[C@H](C)CC[C@@H]3C)o2)c(C)o1 ZINC000162118588 1120935898 /nfs/dbraw/zinc/93/58/98/1120935898.db2.gz LOCLTLSGRYXVJU-MNOVXSKESA-N 0 1 289.379 3.567 20 0 CHADMN C[C@H]1C[C@@H](c2cccnc2)N(Cc2cnn(C3CCC3)c2)C1 ZINC000893572540 1120936485 /nfs/dbraw/zinc/93/64/85/1120936485.db2.gz RWYIFTGXFJJBOF-KSSFIOAISA-N 0 1 296.418 3.586 20 0 CHADMN Cc1ccc(CNCc2cnccc2C(F)(F)F)cc1 ZINC000663352420 1120944622 /nfs/dbraw/zinc/94/46/22/1120944622.db2.gz OTMYJLHESUMABY-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C[C@H]2C=CCCC2)c1 ZINC000643305154 1120949355 /nfs/dbraw/zinc/94/93/55/1120949355.db2.gz SWFBRXQEXHQZAC-LBPRGKRZSA-N 0 1 287.359 3.670 20 0 CHADMN CC(C)c1nc(CN2CCCCC[C@@H]2C[C@H](C)O)cs1 ZINC000228481000 1120951688 /nfs/dbraw/zinc/95/16/88/1120951688.db2.gz AKLJGBRTWRMJRK-DZGCQCFKSA-N 0 1 296.480 3.782 20 0 CHADMN CC(C)C[C@H]1CCCCN1C(=O)c1cccc2n[nH]cc21 ZINC000343912799 1120960987 /nfs/dbraw/zinc/96/09/87/1120960987.db2.gz CFXNUWWDZLRNKE-CYBMUJFWSA-N 0 1 285.391 3.604 20 0 CHADMN Fc1ccc(F)c2c1CCN(CCC1CCCC1)C2 ZINC000630343105 1128952620 /nfs/dbraw/zinc/95/26/20/1128952620.db2.gz ACVYHKSDLJOQDO-UHFFFAOYSA-N 0 1 265.347 3.903 20 0 CHADMN CC1(C)CCC[N@H+]1Cc1ccc(Br)cc1 ZINC000063063688 1120964214 /nfs/dbraw/zinc/96/42/14/1120964214.db2.gz RDUZPHPFPMFEFC-UHFFFAOYSA-N 0 1 268.198 3.824 20 0 CHADMN Cc1ccc2nc(SCC3CCC(O)CC3)[nH]c2c1 ZINC000311959749 1120976418 /nfs/dbraw/zinc/97/64/18/1120976418.db2.gz NDDDAHHGYHQOQA-UHFFFAOYSA-N 0 1 276.405 3.515 20 0 CHADMN C[C@@H](NCCOC(C)(C)C)c1cc(-c2ccccc2)no1 ZINC000925777237 1120985770 /nfs/dbraw/zinc/98/57/70/1120985770.db2.gz CRJBYIYQRFLDQM-CYBMUJFWSA-N 0 1 288.391 3.807 20 0 CHADMN C[C@H](N[C@@H]1CO[C@H](C)C1)c1cc(Cl)sc1Cl ZINC000402289436 1120994086 /nfs/dbraw/zinc/99/40/86/1120994086.db2.gz MUTJBJLJWBERAJ-CSMHCCOUSA-N 0 1 280.220 3.883 20 0 CHADMN CC1(C)CN(C/C=C\c2ccccc2)C(C)(C)CO1 ZINC000604388323 1120995872 /nfs/dbraw/zinc/99/58/72/1120995872.db2.gz JXLXISBJMHHVAK-FLIBITNWSA-N 0 1 259.393 3.589 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2cccc(Cl)c2F)C1 ZINC000093419467 1128955176 /nfs/dbraw/zinc/95/51/76/1128955176.db2.gz NGVOVJKYMZNCSS-GFCCVEGCSA-N 0 1 285.790 3.728 20 0 CHADMN CCN(C(=O)c1cc(-c2ccc(C)cc2)[nH]n1)[C@H](C)C(C)C ZINC000647743227 1121000995 /nfs/dbraw/zinc/00/09/95/1121000995.db2.gz HCSXPKDXCIZTAQ-CQSZACIVSA-N 0 1 299.418 3.892 20 0 CHADMN CCN(C(=O)c1cc(-c2ccc(C)cc2)[nH]n1)[C@@H](C)C(C)C ZINC000647743226 1121001124 /nfs/dbraw/zinc/00/11/24/1121001124.db2.gz HCSXPKDXCIZTAQ-AWEZNQCLSA-N 0 1 299.418 3.892 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccccc1)c1ccc(F)c(F)c1 ZINC000343968829 1121005241 /nfs/dbraw/zinc/00/52/41/1121005241.db2.gz BKDPBIXFZMBLMM-SJCJKPOMSA-N 0 1 291.341 3.739 20 0 CHADMN C[C@@H](N[C@H](C)c1cncc(F)c1)c1cc2cnccc2o1 ZINC000657968539 1121019761 /nfs/dbraw/zinc/01/97/61/1121019761.db2.gz BIHQBSJMZNKFOO-GHMZBOCLSA-N 0 1 285.322 3.774 20 0 CHADMN Cc1noc([C@@H](C)N2CCCC3(C2)CCCCCC3)n1 ZINC000075968326 1121023525 /nfs/dbraw/zinc/02/35/25/1121023525.db2.gz AIVDALQEFYDUGL-CYBMUJFWSA-N 0 1 277.412 3.875 20 0 CHADMN Cc1ccc(NC(=O)CN(C)[C@H](C)c2ccccc2)cc1 ZINC000007016583 1121023926 /nfs/dbraw/zinc/02/39/26/1121023926.db2.gz JKZJQRGDIVISGN-OAHLLOKOSA-N 0 1 282.387 3.627 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)c1ccccc1 ZINC000007017906 1121024198 /nfs/dbraw/zinc/02/41/98/1121024198.db2.gz RTDNXDMFEZTKIW-INIZCTEOSA-N 0 1 296.414 3.935 20 0 CHADMN Cc1nc(C2(NCCc3ccccc3)CCCCCC2)no1 ZINC000585749186 1121029707 /nfs/dbraw/zinc/02/97/07/1121029707.db2.gz VIEVDIPZHGGICQ-UHFFFAOYSA-N 0 1 299.418 3.760 20 0 CHADMN Cc1nnsc1CN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000394738118 1121034231 /nfs/dbraw/zinc/03/42/31/1121034231.db2.gz XVFGDLIPQNBCFO-CQSZACIVSA-N 0 1 293.411 3.863 20 0 CHADMN Cc1cncc(Nc2ccncc2Oc2ccccc2)c1 ZINC001174755275 1121038985 /nfs/dbraw/zinc/03/89/85/1121038985.db2.gz JNYISPDLRAEIDO-UHFFFAOYSA-N 0 1 277.327 3.743 20 0 CHADMN Cc1ccc(C[N@@H+](C)CCc2ccccc2C(=O)[O-])cc1C ZINC000317378051 1121040879 /nfs/dbraw/zinc/04/08/79/1121040879.db2.gz FALHEDMZZQYSMX-UHFFFAOYSA-N 0 1 297.398 3.676 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2F)C[C@@H](C)C1(F)F ZINC000625648843 1121046023 /nfs/dbraw/zinc/04/60/23/1121046023.db2.gz RYTBIONTTOGJHD-GHMZBOCLSA-N 0 1 257.299 3.549 20 0 CHADMN Cc1ccc(CN2CCOC[C@@H]2CC(C)C)cc1C ZINC001174826611 1121046086 /nfs/dbraw/zinc/04/60/86/1121046086.db2.gz BEEZMDUGLWMSLZ-KRWDZBQOSA-N 0 1 261.409 3.550 20 0 CHADMN Cc1cnc(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)o1 ZINC000282506498 1121046998 /nfs/dbraw/zinc/04/69/98/1121046998.db2.gz RLCUWXNQQOGPFC-BJWYYQGGSA-N 0 1 282.387 3.894 20 0 CHADMN CCCc1nc(C)c(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)o1 ZINC000625653140 1121047836 /nfs/dbraw/zinc/04/78/36/1121047836.db2.gz ODGOMCGCIGAWNA-QWRGUYRKSA-N 0 1 286.366 3.659 20 0 CHADMN Cc1cc(CN2CCC[C@H](c3ccc(F)c(F)c3)C2)on1 ZINC000625656687 1121049519 /nfs/dbraw/zinc/04/95/19/1121049519.db2.gz ZSXVRBKWLUYFQV-ZDUSSCGKSA-N 0 1 292.329 3.641 20 0 CHADMN CN(Cc1csc(N(C)C2CC2)n1)C[C@H]1CC=CCC1 ZINC000344028978 1121060611 /nfs/dbraw/zinc/06/06/11/1121060611.db2.gz AGWPDSLRFSODHF-ZDUSSCGKSA-N 0 1 291.464 3.530 20 0 CHADMN C(=C\c1ccccc1)\CN1CCN(Cc2ccccc2)CC1 ZINC000034387376 1121061709 /nfs/dbraw/zinc/06/17/09/1121061709.db2.gz YWXKCOCOLZXNMU-GHXNOFRVSA-N 0 1 292.426 3.518 20 0 CHADMN C[C@@H](NCc1ccccn1)c1ccc(Br)s1 ZINC000038001794 1121091860 /nfs/dbraw/zinc/09/18/60/1121091860.db2.gz JHSHKQJPDOLUDM-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)c3cccnc3)cc2[nH]1 ZINC000032465254 1121066831 /nfs/dbraw/zinc/06/68/31/1121066831.db2.gz PNAJVSKGXYOXOG-UHFFFAOYSA-N 0 1 294.358 3.508 20 0 CHADMN c1cc(Nc2cccc3cccnc32)n(-c2ccncc2)n1 ZINC001174858229 1121067122 /nfs/dbraw/zinc/06/71/22/1121067122.db2.gz CEVWIRVEOHJWTJ-UHFFFAOYSA-N 0 1 287.326 3.559 20 0 CHADMN C[C@H]1CN(Cc2nc(C3CC3)cs2)CC(C)(C)C1 ZINC000344056774 1121068330 /nfs/dbraw/zinc/06/83/30/1121068330.db2.gz KEIOFCZSBKKSFL-LLVKDONJSA-N 0 1 264.438 3.889 20 0 CHADMN Cc1ncc2c(n1)CCC[C@@H]2NCc1cc(Cl)cs1 ZINC000785471969 1121068801 /nfs/dbraw/zinc/06/88/01/1121068801.db2.gz YUQFLCUSASSSHI-ZDUSSCGKSA-N 0 1 293.823 3.667 20 0 CHADMN CC(C)OCCNC(C)(C)c1nc2ccccc2s1 ZINC000625719872 1121069002 /nfs/dbraw/zinc/06/90/02/1121069002.db2.gz MQTGDNLOTOANGU-UHFFFAOYSA-N 0 1 278.421 3.546 20 0 CHADMN CN(Cc1nc(C2CC2)cs1)C[C@H]1CC=CCC1 ZINC000344058583 1121069302 /nfs/dbraw/zinc/06/93/02/1121069302.db2.gz LBGRRSFZSGOKDL-LBPRGKRZSA-N 0 1 262.422 3.809 20 0 CHADMN CC(C)CN(C(=O)[C@@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000344058986 1121069693 /nfs/dbraw/zinc/06/96/93/1121069693.db2.gz IAUBDUZUFFDGLO-OAHLLOKOSA-N 0 1 297.402 3.519 20 0 CHADMN c1cc2n(n1)CCN(CC1CCC(c3ccccc3)CC1)C2 ZINC001174862462 1121072054 /nfs/dbraw/zinc/07/20/54/1121072054.db2.gz AGBSJWJGOXNKOJ-UHFFFAOYSA-N 0 1 295.430 3.673 20 0 CHADMN C[C@@H](C(=O)Nc1cccc(Cl)c1O)C1CCCC1 ZINC000674134741 1121093870 /nfs/dbraw/zinc/09/38/70/1121093870.db2.gz RFTSPKSLUUVRDW-SECBINFHSA-N 0 1 267.756 3.810 20 0 CHADMN COc1ccc2c(c1)C[C@H](NC1(C(F)F)CCCC1)CC2 ZINC000674135200 1121094684 /nfs/dbraw/zinc/09/46/84/1121094684.db2.gz FNJTYLXLWRHXMP-CQSZACIVSA-N 0 1 295.373 3.720 20 0 CHADMN c1cn(C2CCCC2)nc1CN1CCC[C@H](C2CC2)C1 ZINC000344130724 1121098711 /nfs/dbraw/zinc/09/87/11/1121098711.db2.gz YHFIFDKPGPHDBR-HNNXBMFYSA-N 0 1 273.424 3.620 20 0 CHADMN C[C@@H](NC[C@H](O)C(C)(C)C)c1c(F)cccc1Cl ZINC000324640746 1121102666 /nfs/dbraw/zinc/10/26/66/1121102666.db2.gz XGMLVRVWQWGTGE-SKDRFNHKSA-N 0 1 273.779 3.537 20 0 CHADMN CC1(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)CCC1 ZINC000674240032 1121104432 /nfs/dbraw/zinc/10/44/32/1121104432.db2.gz MOYZZBHEPIPBPK-UHFFFAOYSA-N 0 1 283.375 3.959 20 0 CHADMN CC(C)c1cc(C(=O)N2CC(C)(C)[C@H]2c2ccccc2)n[nH]1 ZINC000619054503 1128962883 /nfs/dbraw/zinc/96/28/83/1128962883.db2.gz BYAMALFOEFJXSH-MRXNPFEDSA-N 0 1 297.402 3.756 20 0 CHADMN CN(Cc1sc2ccccc2c1Cl)C[C@@H](O)C1CC1 ZINC000674314682 1121118629 /nfs/dbraw/zinc/11/86/29/1121118629.db2.gz NQRSZQLWISXIPW-GFCCVEGCSA-N 0 1 295.835 3.757 20 0 CHADMN C[C@@H](NCc1ccc([C@H](C)O)cc1)c1ccccc1F ZINC000178542231 1121122490 /nfs/dbraw/zinc/12/24/90/1121122490.db2.gz SQFWMXRWXZLELU-OLZOCXBDSA-N 0 1 273.351 3.730 20 0 CHADMN COc1cc(Nc2cc(C)c(OC)c(C)c2)ncc1C ZINC001174997783 1121124485 /nfs/dbraw/zinc/12/44/85/1121124485.db2.gz KGJWYWUMIZDBKL-UHFFFAOYSA-N 0 1 272.348 3.768 20 0 CHADMN CCOc1ccc(CN(CC)Cc2ccccc2C)nc1 ZINC000674388123 1121126202 /nfs/dbraw/zinc/12/62/02/1121126202.db2.gz FXUISXCGKMLCRR-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2CCCCC[C@@H]2C)c(C)c1 ZINC000512158813 1121127991 /nfs/dbraw/zinc/12/79/91/1121127991.db2.gz GHKFWZNXKHVIDA-INIZCTEOSA-N 0 1 288.435 3.815 20 0 CHADMN Clc1ccccc1C1(N[C@H]2COC3(CCC3)C2)CC1 ZINC000658048809 1121132851 /nfs/dbraw/zinc/13/28/51/1121132851.db2.gz YHNFTEIZSUJBJV-GFCCVEGCSA-N 0 1 277.795 3.630 20 0 CHADMN Cn1cncc1Nc1ccc(OCc2ccccc2)c(F)c1 ZINC001175018930 1121136536 /nfs/dbraw/zinc/13/65/36/1121136536.db2.gz NLWXPTNAYQPJMU-UHFFFAOYSA-N 0 1 297.333 3.882 20 0 CHADMN CCOc1ccccc1C(=O)Nc1cccc(Cl)c1O ZINC000172109137 1121139779 /nfs/dbraw/zinc/13/97/79/1121139779.db2.gz LOIDUNKUWFYESX-UHFFFAOYSA-N 0 1 291.734 3.697 20 0 CHADMN Cc1ccc(C(=O)Nc2cccc(Cl)c2O)s1 ZINC000172109834 1121140037 /nfs/dbraw/zinc/14/00/37/1121140037.db2.gz QXCUHRUYEVBZCO-UHFFFAOYSA-N 0 1 267.737 3.668 20 0 CHADMN CC(C)c1ccc2ncnc(N3CCc4cnccc43)c2c1 ZINC000663698033 1121142079 /nfs/dbraw/zinc/14/20/79/1121142079.db2.gz ZOIYCRVYKRBFAR-UHFFFAOYSA-N 0 1 290.370 3.842 20 0 CHADMN C[C@@H](NCc1cc(C#N)ccc1F)c1ccccc1N(C)C ZINC000090117315 1121143737 /nfs/dbraw/zinc/14/37/37/1121143737.db2.gz PNVZHQHWYJUULR-CYBMUJFWSA-N 0 1 297.377 3.614 20 0 CHADMN CN(Cc1ccccc1N1CCCCC1)C1CC(F)(F)C1 ZINC001138604926 1128965553 /nfs/dbraw/zinc/96/55/53/1128965553.db2.gz KDIMSMHICVNSFM-UHFFFAOYSA-N 0 1 294.389 3.906 20 0 CHADMN C[C@@H](CF)NCc1ccc(SC(F)(F)F)cc1 ZINC000702573269 1121205800 /nfs/dbraw/zinc/20/58/00/1121205800.db2.gz FYLVTPWJJQKLGJ-QMMMGPOBSA-N 0 1 267.291 3.746 20 0 CHADMN C[C@H](c1cccnc1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931915232 1121150807 /nfs/dbraw/zinc/15/08/07/1121150807.db2.gz FPIVTFSRTWLZEN-ZYHUDNBSSA-N 0 1 288.288 3.509 20 0 CHADMN CSc1ccc(CN2CCC3(CCCC3=O)CC2)cc1 ZINC000661952205 1121155148 /nfs/dbraw/zinc/15/51/48/1121155148.db2.gz AAUKDWDRHDIOJZ-UHFFFAOYSA-N 0 1 289.444 3.744 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701562714 1121159052 /nfs/dbraw/zinc/15/90/52/1121159052.db2.gz KJGSBDHQZLDJJC-RBOXIYTFSA-N 0 1 293.794 3.588 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCOC[C@@H](C2CCC2)C1 ZINC000429237827 1121167815 /nfs/dbraw/zinc/16/78/15/1121167815.db2.gz PKCVIZQVUUGQQD-JSGCOSHPSA-N 0 1 295.373 3.774 20 0 CHADMN Cc1cc(C)c(CN2CCO[C@H](c3ccco3)C2)c(C)c1 ZINC000674695677 1121170644 /nfs/dbraw/zinc/17/06/44/1121170644.db2.gz RNTHPALTLQTFAK-SFHVURJKSA-N 0 1 285.387 3.778 20 0 CHADMN CCCN(C(=O)c1ccc(CN(CC)CC)o1)C(C)(C)C ZINC000674767207 1121179321 /nfs/dbraw/zinc/17/93/21/1121179321.db2.gz MQPYGANIYOXSJS-UHFFFAOYSA-N 0 1 294.439 3.772 20 0 CHADMN Fc1ccc(-c2nc(CN3CC[C@H]4C[C@H]4C3)cs2)cc1 ZINC000661972486 1121184695 /nfs/dbraw/zinc/18/46/95/1121184695.db2.gz FGLXJRPPZQXHIX-STQMWFEESA-N 0 1 288.391 3.791 20 0 CHADMN C[C@H](c1ccccc1F)N(C)Cc1cccc(N)c1 ZINC000062012701 1121185891 /nfs/dbraw/zinc/18/58/91/1121185891.db2.gz JQOGZCMRKPGLAF-GFCCVEGCSA-N 0 1 258.340 3.601 20 0 CHADMN O=C([O-])c1ccc(Nc2ccc3c[nH+]ccc3c2)cc1F ZINC001175156268 1121186455 /nfs/dbraw/zinc/18/64/55/1121186455.db2.gz ADAFAJQIZPEUGK-UHFFFAOYSA-N 0 1 282.274 3.816 20 0 CHADMN CC(C)[C@@H](NCc1cc(F)cc(Cl)c1)c1cnn(C)c1 ZINC000922894227 1121186681 /nfs/dbraw/zinc/18/66/81/1121186681.db2.gz NMRBBNWLDOYUKW-OAHLLOKOSA-N 0 1 295.789 3.700 20 0 CHADMN CCOc1ccc(CN[C@]2(C)CCCc3ccccc32)nc1 ZINC000674863391 1121188198 /nfs/dbraw/zinc/18/81/98/1121188198.db2.gz JSJRKGBPWKTBPO-LJQANCHMSA-N 0 1 296.414 3.822 20 0 CHADMN CN(CCCOC(C)(C)C)Cc1nc2ccccc2s1 ZINC000674902701 1121192855 /nfs/dbraw/zinc/19/28/55/1121192855.db2.gz IBKDYFTYZXRTSZ-UHFFFAOYSA-N 0 1 292.448 3.933 20 0 CHADMN CCOc1ccc(C)cc1Nc1ccnn1-c1ccncc1 ZINC001175124138 1121193101 /nfs/dbraw/zinc/19/31/01/1121193101.db2.gz QSMNOWGUTADDRZ-UHFFFAOYSA-N 0 1 294.358 3.718 20 0 CHADMN CC(C)c1ccc(Cl)c(-c2ncnc3c2CNC3)c1 ZINC001204675293 1121195654 /nfs/dbraw/zinc/19/56/54/1121195654.db2.gz XBDVAJGFBIFQCZ-UHFFFAOYSA-N 0 1 273.767 3.524 20 0 CHADMN Cc1cc(CNCc2ccccc2Cl)cs1 ZINC000336649440 1121200474 /nfs/dbraw/zinc/20/04/74/1121200474.db2.gz GZDLUAHTVKSVFR-UHFFFAOYSA-N 0 1 251.782 4.000 20 0 CHADMN O=C(Cc1cc(F)ccc1F)Nc1cccc(Cl)c1O ZINC000173473344 1121205541 /nfs/dbraw/zinc/20/55/41/1121205541.db2.gz TVRCKNFZAKFCOO-UHFFFAOYSA-N 0 1 297.688 3.505 20 0 CHADMN C[C@@H](NCc1cc(Cl)cc(Cl)c1)c1cn[nH]c1 ZINC000229881465 1121211427 /nfs/dbraw/zinc/21/14/27/1121211427.db2.gz ARIJZOBZTVRVGZ-MRVPVSSYSA-N 0 1 270.163 3.567 20 0 CHADMN Cc1ccc(CN[C@@H]2COc3c2cccc3Cl)cc1 ZINC000675103134 1121216324 /nfs/dbraw/zinc/21/63/24/1121216324.db2.gz JNXAPEYVBQLUHA-OAHLLOKOSA-N 0 1 273.763 3.872 20 0 CHADMN CC[C@H](NCc1cc2cc(C)ccc2o1)c1cnn(C)c1 ZINC000658201437 1121221247 /nfs/dbraw/zinc/22/12/47/1121221247.db2.gz SKYVXIGMFPUHMK-INIZCTEOSA-N 0 1 283.375 3.716 20 0 CHADMN CC[C@H](NCc1ccc(Cl)c(Cl)c1)c1cnn(C)c1 ZINC000658208516 1121223991 /nfs/dbraw/zinc/22/39/91/1121223991.db2.gz IOZOXIRYPHXXEK-AWEZNQCLSA-N 0 1 298.217 3.968 20 0 CHADMN CCC(C)(C)NC(=O)CN([C@H](C)c1ccccc1)C1CC1 ZINC000512246436 1121223921 /nfs/dbraw/zinc/22/39/21/1121223921.db2.gz UPCMKYZJRDCFQO-CQSZACIVSA-N 0 1 288.435 3.517 20 0 CHADMN CCOc1cccc(F)c1Nc1ccnn1-c1ccncc1 ZINC001175223668 1121231022 /nfs/dbraw/zinc/23/10/22/1121231022.db2.gz GWWLUOSANVGWSZ-UHFFFAOYSA-N 0 1 298.321 3.549 20 0 CHADMN C[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CCC(C)(C)CC1 ZINC000094860139 1121236365 /nfs/dbraw/zinc/23/63/65/1121236365.db2.gz AFAXLQIFFPNSGM-UHFFFAOYSA-N 0 1 275.392 3.785 20 0 CHADMN COc1ccc(OC)c([C@@H](C)NCc2cscc2C)c1 ZINC000094878092 1121237660 /nfs/dbraw/zinc/23/76/60/1121237660.db2.gz AEBZUCZTRHUPKJ-GFCCVEGCSA-N 0 1 291.416 3.925 20 0 CHADMN CCCCOc1ccc(-n2c(N)nc3ccccc32)cc1 ZINC001175242057 1121241136 /nfs/dbraw/zinc/24/11/36/1121241136.db2.gz ZLQJJKAJALSKSC-UHFFFAOYSA-N 0 1 281.359 3.787 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cnc2ccccn12 ZINC000675248364 1121241421 /nfs/dbraw/zinc/24/14/21/1121241421.db2.gz RBPWHAWRZYQSEQ-SFHVURJKSA-N 0 1 291.398 3.844 20 0 CHADMN CCOc1ccc(Nc2cc(OC)ccn2)c(C)c1 ZINC001175242921 1121242094 /nfs/dbraw/zinc/24/20/94/1121242094.db2.gz QSSSNDULPFLPBV-UHFFFAOYSA-N 0 1 258.321 3.541 20 0 CHADMN CCOc1c(F)cccc1Nc1nnc(-c2ccco2)o1 ZINC001212533684 1121247966 /nfs/dbraw/zinc/24/79/66/1121247966.db2.gz WQYTUBWOMWZSNP-UHFFFAOYSA-N 0 1 289.266 3.611 20 0 CHADMN CCOc1ncccc1CN[C@H]1CCCc2ccccc21 ZINC000112522187 1121256548 /nfs/dbraw/zinc/25/65/48/1121256548.db2.gz YACLXRPBIKOYRC-KRWDZBQOSA-N 0 1 282.387 3.648 20 0 CHADMN CCOc1ncccc1CN[C@@H]1CCCc2ccccc21 ZINC000112522185 1121257212 /nfs/dbraw/zinc/25/72/12/1121257212.db2.gz YACLXRPBIKOYRC-QGZVFWFLSA-N 0 1 282.387 3.648 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cnccc1C ZINC000123223950 1121263005 /nfs/dbraw/zinc/26/30/05/1121263005.db2.gz ZYJANOHVOURKML-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN CCOc1cc(Nc2cc(C)cc(C)n2)ccc1OC ZINC001212539028 1121267501 /nfs/dbraw/zinc/26/75/01/1121267501.db2.gz YIIAWUYBIRFZNQ-UHFFFAOYSA-N 0 1 272.348 3.849 20 0 CHADMN COC(=O)c1cc(CN(C)[C@H](C)c2cccs2)c(C)o1 ZINC000143384760 1121279690 /nfs/dbraw/zinc/27/96/90/1121279690.db2.gz ZRXGSSYYBXXAFX-SNVBAGLBSA-N 0 1 293.388 3.629 20 0 CHADMN CC[C@@H]1C[C@@]1(NCc1ccccn1)c1cccc(C)c1 ZINC000500530066 1121297202 /nfs/dbraw/zinc/29/72/02/1121297202.db2.gz JWPSYGADERZPNV-QAPCUYQASA-N 0 1 266.388 3.805 20 0 CHADMN OCCN(Cc1csc(Cl)c1Cl)C1CCCC1 ZINC000432735734 1121301814 /nfs/dbraw/zinc/30/18/14/1121301814.db2.gz OGMWJOHDACXWEX-UHFFFAOYSA-N 0 1 294.247 3.792 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@H](c3ccccc3)[C@@H](C)C2)n1 ZINC000246617760 1121312721 /nfs/dbraw/zinc/31/27/21/1121312721.db2.gz HAUJKZURWIHXRA-DZKIICNBSA-N 0 1 299.418 3.819 20 0 CHADMN CSCCN(C)Cc1ccc(C(F)(F)F)s1 ZINC000432748134 1121314226 /nfs/dbraw/zinc/31/42/26/1121314226.db2.gz SBYKRERQZCJRTH-UHFFFAOYSA-N 0 1 269.357 3.562 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2NCc1cccc2c1OCCCO2 ZINC000124837182 1121324203 /nfs/dbraw/zinc/32/42/03/1121324203.db2.gz LCFBHYMOBPHIOJ-HNNXBMFYSA-N 0 1 299.370 3.608 20 0 CHADMN Cc1nc2cc(Nc3ccc4c(c3C)OCCO4)ccc2[nH]1 ZINC001213077214 1121330496 /nfs/dbraw/zinc/33/04/96/1121330496.db2.gz MEFRUXDTYADSPF-UHFFFAOYSA-N 0 1 295.342 3.695 20 0 CHADMN CC(C)(C)c1nc(CN(CC2CC2)c2ccccc2)n[nH]1 ZINC000432773931 1121331519 /nfs/dbraw/zinc/33/15/19/1121331519.db2.gz LLHCMGGTDQSHBB-UHFFFAOYSA-N 0 1 284.407 3.519 20 0 CHADMN FC1(F)CC[C@H](NCc2coc(-c3ccccc3)n2)C1 ZINC000675646181 1121333121 /nfs/dbraw/zinc/33/31/21/1121333121.db2.gz ZFSXFXTWSOESPF-LBPRGKRZSA-N 0 1 278.302 3.619 20 0 CHADMN COc1ccnc(CN2CCc3ccccc3[C@@H]2C(C)C)c1 ZINC000675643792 1121333562 /nfs/dbraw/zinc/33/35/62/1121333562.db2.gz MRHXXSBBWXMRGS-IBGZPJMESA-N 0 1 296.414 3.846 20 0 CHADMN Fc1cc(Nc2ccncc2Oc2ccccc2)cc(F)n1 ZINC001213077276 1121334232 /nfs/dbraw/zinc/33/42/32/1121334232.db2.gz PDKAXFYJGIOYDW-UHFFFAOYSA-N 0 1 299.280 3.713 20 0 CHADMN CCOc1ccc(-c2cc(Nc3cncs3)on2)cc1 ZINC001175496095 1121342624 /nfs/dbraw/zinc/34/26/24/1121342624.db2.gz RACUSPUSUVPQNP-UHFFFAOYSA-N 0 1 287.344 3.940 20 0 CHADMN CCCC[C@H](C)N(CCCC)C(=O)CCc1cnc[nH]1 ZINC000294068341 1121349273 /nfs/dbraw/zinc/34/92/73/1121349273.db2.gz MOXHEJXFXUBBPN-AWEZNQCLSA-N 0 1 279.428 3.550 20 0 CHADMN CC(C)Oc1ncccc1CN[C@H]1c2ccccc2C[C@@H]1C ZINC000675750709 1121349769 /nfs/dbraw/zinc/34/97/69/1121349769.db2.gz QCCJVIMPBMCXGS-KBXCAEBGSA-N 0 1 296.414 3.892 20 0 CHADMN CCc1ncsc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175504850 1121350500 /nfs/dbraw/zinc/35/05/00/1121350500.db2.gz GVVXWVYVNWJTES-UHFFFAOYSA-N 0 1 299.443 3.907 20 0 CHADMN Cc1occc1CN[C@H]1CSCCc2ccccc21 ZINC000675779294 1121354035 /nfs/dbraw/zinc/35/40/35/1121354035.db2.gz JQCCCVADLLWXFO-INIZCTEOSA-N 0 1 273.401 3.708 20 0 CHADMN Cc1cc(N[C@H]2CCC(F)(F)C2)c2cc(F)ccc2n1 ZINC000675794789 1121360444 /nfs/dbraw/zinc/36/04/44/1121360444.db2.gz XIESCANHODBFQZ-NSHDSACASA-N 0 1 280.293 3.704 20 0 CHADMN COc1cnc(Cl)c(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175523878 1121362172 /nfs/dbraw/zinc/36/21/72/1121362172.db2.gz PGHVMPJLMKKVID-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cncc(N2CCCC2)c1 ZINC001175522923 1121363043 /nfs/dbraw/zinc/36/30/43/1121363043.db2.gz BIQOIANYRJPMKD-UHFFFAOYSA-N 0 1 293.374 3.610 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1ccc(O)cc1 ZINC000675801737 1121363341 /nfs/dbraw/zinc/36/33/41/1121363341.db2.gz BYDDMOWHVVUWAB-LBPRGKRZSA-N 0 1 287.407 3.503 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cnc(C2CC2)s1 ZINC001175523007 1121363419 /nfs/dbraw/zinc/36/34/19/1121363419.db2.gz CVKDYDAXBQGIOO-UHFFFAOYSA-N 0 1 270.361 3.949 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ncc(Cl)cc1F ZINC001175524388 1121363453 /nfs/dbraw/zinc/36/34/53/1121363453.db2.gz BXQLSHPBUFNING-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cnc2ccc(O)cc2c1 ZINC001175524480 1121363486 /nfs/dbraw/zinc/36/34/86/1121363486.db2.gz VHYPQVXCIBZPLZ-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1nc2c(cccc2O)s1 ZINC001175525043 1121365326 /nfs/dbraw/zinc/36/53/26/1121365326.db2.gz HYQYQAHXWMEZQU-UHFFFAOYSA-N 0 1 296.355 3.930 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cnccc1C1CC1 ZINC001175524900 1121365354 /nfs/dbraw/zinc/36/53/54/1121365354.db2.gz WVDLWUAXRKEVRN-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2c1cnn2C ZINC001175525411 1121365487 /nfs/dbraw/zinc/36/54/87/1121365487.db2.gz AUOYPFFMVROHGP-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN COc1cc(F)c(F)cc1Nc1c2cn[nH]c2ccc1C ZINC001175525836 1121365918 /nfs/dbraw/zinc/36/59/18/1121365918.db2.gz HQXJCFSORFPOHZ-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN CC(=O)c1cc(Nc2c3cn[nH]c3ccc2C)cnc1C ZINC001175525696 1121366207 /nfs/dbraw/zinc/36/62/07/1121366207.db2.gz GOJCJDIWHCLMOB-UHFFFAOYSA-N 0 1 280.331 3.521 20 0 CHADMN COc1ccc(F)c(Nc2c3cn[nH]c3ccc2C)c1F ZINC001175525475 1121366279 /nfs/dbraw/zinc/36/62/79/1121366279.db2.gz DNFRRBRLRCMATD-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1c(C)cccc1N ZINC001175525508 1121366830 /nfs/dbraw/zinc/36/68/30/1121366830.db2.gz FPJLBXDOYBDNBR-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN COC(=O)c1cc([C@@H](C)[N@H+]2CCCC(C)(C)C2)oc1C ZINC000432800315 1121366911 /nfs/dbraw/zinc/36/69/11/1121366911.db2.gz MFVVEOWMPZIYMM-LLVKDONJSA-N 0 1 279.380 3.558 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc(Cl)c1CO ZINC001175527192 1121369349 /nfs/dbraw/zinc/36/93/49/1121369349.db2.gz GVGXPLZCSDULPJ-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2c(c1)CCN2C ZINC001175527494 1121370420 /nfs/dbraw/zinc/37/04/20/1121370420.db2.gz LELYRXOSSGAWGX-UHFFFAOYSA-N 0 1 278.359 3.607 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1c(C)cc(O)cc1C ZINC001175527446 1121370943 /nfs/dbraw/zinc/37/09/43/1121370943.db2.gz NTYXPLUGAIGYAU-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(F)c(O)cc1F ZINC001175527228 1121371609 /nfs/dbraw/zinc/37/16/09/1121371609.db2.gz IFNRGODVGFDVGJ-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2oc(=O)ccc2c1 ZINC001175527950 1121371707 /nfs/dbraw/zinc/37/17/07/1121371707.db2.gz XZEISWSZDFJRMG-UHFFFAOYSA-N 0 1 291.310 3.721 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H](C)C(C)C ZINC000763544612 1128981191 /nfs/dbraw/zinc/98/11/91/1128981191.db2.gz RXFNIKBIMRCQAD-GFCCVEGCSA-N 0 1 272.348 3.586 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc(Cl)sc2Cl)n[nH]1 ZINC000675893295 1121377883 /nfs/dbraw/zinc/37/78/83/1121377883.db2.gz HSBJPTRFHCRTOU-SSDOTTSWSA-N 0 1 290.219 3.937 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@H](C)c1ccc2c(c1)COC2 ZINC000675895003 1121378870 /nfs/dbraw/zinc/37/88/70/1121378870.db2.gz ITDJIGYKOQZIDS-MNOVXSKESA-N 0 1 286.375 3.733 20 0 CHADMN Clc1cccc(N[C@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000675877067 1121380586 /nfs/dbraw/zinc/38/05/86/1121380586.db2.gz BEUKUQLTJLCPKC-AWEZNQCLSA-N 0 1 284.750 3.660 20 0 CHADMN CC(C)(C)OC1CC(N[C@H](CF)c2ccc(F)cc2)C1 ZINC001175560597 1121387327 /nfs/dbraw/zinc/38/73/27/1121387327.db2.gz MSXZFIFVKYNYDB-YMAMQOFZSA-N 0 1 283.362 3.772 20 0 CHADMN CC(C)Sc1ccccc1NC1=CCCN(C)C1 ZINC001175579662 1121397648 /nfs/dbraw/zinc/39/76/48/1121397648.db2.gz FYMGNPWVHOCTIE-UHFFFAOYSA-N 0 1 262.422 3.818 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N1CCN(C)c2ncccc2C1 ZINC001175620425 1121398391 /nfs/dbraw/zinc/39/83/91/1121398391.db2.gz CPVWIHRMEORPJJ-QGZVFWFLSA-N 0 1 299.393 3.624 20 0 CHADMN CC(C)Oc1ccccc1CN(C)CCOC(C)(C)C ZINC000676043407 1121401365 /nfs/dbraw/zinc/40/13/65/1121401365.db2.gz ZPOKRQLCZWYZQJ-UHFFFAOYSA-N 0 1 279.424 3.721 20 0 CHADMN Cc1scc(CN[C@H](C)c2cnn(C(C)C)c2)c1C ZINC000631073052 1128983187 /nfs/dbraw/zinc/98/31/87/1128983187.db2.gz YWBPOFTUMMSOCS-GFCCVEGCSA-N 0 1 277.437 3.993 20 0 CHADMN Cc1cccc(C)c1[C@H](C)NCc1n[nH]c(C(C)(C)C)n1 ZINC000432861134 1121406745 /nfs/dbraw/zinc/40/67/45/1121406745.db2.gz AVRDEPQXTWJUMI-ZDUSSCGKSA-N 0 1 286.423 3.570 20 0 CHADMN Cc1cccc(NCCC2CC(OC(C)(C)C)C2)n1 ZINC000432856111 1121407676 /nfs/dbraw/zinc/40/76/76/1121407676.db2.gz VDPQRAQMAXBIDB-UHFFFAOYSA-N 0 1 262.397 3.786 20 0 CHADMN Clc1ccccc1-c1cc(CN2CCCCC2)no1 ZINC000419196223 1121409309 /nfs/dbraw/zinc/40/93/09/1121409309.db2.gz ZCZZMIUINAZARW-UHFFFAOYSA-N 0 1 276.767 3.981 20 0 CHADMN CSC[C@@H](C)N[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000345051856 1121411927 /nfs/dbraw/zinc/41/19/27/1121411927.db2.gz AIWMGYCMILSGBW-MLGOLLRUSA-N 0 1 290.407 3.651 20 0 CHADMN Cc1cn2cc(Nc3ccc4n[nH]c(C)c4c3)ccc2n1 ZINC001175694183 1121414704 /nfs/dbraw/zinc/41/47/04/1121414704.db2.gz PPZDSNBXNUQVIE-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(C4CCC4)no3)cc12 ZINC001175695071 1121414772 /nfs/dbraw/zinc/41/47/72/1121414772.db2.gz FLHCKSQBLFUCKR-UHFFFAOYSA-N 0 1 268.320 3.870 20 0 CHADMN Cc1[nH]nc2ccc(Nc3nc(C)c(C)nc3Cl)cc12 ZINC001175693708 1121414891 /nfs/dbraw/zinc/41/48/91/1121414891.db2.gz IRLHNQHDWYUXLV-UHFFFAOYSA-N 0 1 287.754 3.675 20 0 CHADMN Cc1cc(Nc2ccc3n[nH]c(C)c3c2)n(C(C)(C)C)n1 ZINC001175695657 1121416072 /nfs/dbraw/zinc/41/60/72/1121416072.db2.gz LCXYRMBLQCCDTD-UHFFFAOYSA-N 0 1 283.379 3.875 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc(Cl)c3O)cc12 ZINC001175698687 1121416260 /nfs/dbraw/zinc/41/62/60/1121416260.db2.gz AZQUIVRHNXTIHB-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cnc4cccc(O)c4c3)cc12 ZINC001175699216 1121416406 /nfs/dbraw/zinc/41/64/06/1121416406.db2.gz MRXOCRWPKPAMFP-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4c(c3)C(=O)CC4)cc12 ZINC001175700277 1121417820 /nfs/dbraw/zinc/41/78/20/1121417820.db2.gz YAUDCEFMHDJMHW-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(N(C)C)cc3)cc21 ZINC001175700184 1121418051 /nfs/dbraw/zinc/41/80/51/1121418051.db2.gz WHQVQDKLMZJVEP-UHFFFAOYSA-N 0 1 266.348 3.681 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(C)c(O)c3)cc12 ZINC001175700544 1121418492 /nfs/dbraw/zinc/41/84/92/1121418492.db2.gz NWJSNRGTBNJARR-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN CC1=C(C)C[C@](C)(c2nc(C3(N)CCCC3)no2)CC1 ZINC000900006303 1121418967 /nfs/dbraw/zinc/41/89/67/1121418967.db2.gz SOVQBUVSRLLTON-OAHLLOKOSA-N 0 1 275.396 3.576 20 0 CHADMN CC1=C(C)C[C@@](C)(c2nc(C3(N)CCCC3)no2)CC1 ZINC000900006302 1121418977 /nfs/dbraw/zinc/41/89/77/1121418977.db2.gz SOVQBUVSRLLTON-HNNXBMFYSA-N 0 1 275.396 3.576 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(C4(C)COC4)cc3)cc21 ZINC001175701179 1121419402 /nfs/dbraw/zinc/41/94/02/1121419402.db2.gz AHTMTQDYYMZYGQ-UHFFFAOYSA-N 0 1 293.370 3.903 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(O)c(F)c(F)c3)cc12 ZINC001175700713 1121419466 /nfs/dbraw/zinc/41/94/66/1121419466.db2.gz TWBOZIKRAMDVMS-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN CC(=O)c1cccc(O)c1Nc1ccc2n[nH]c(C)c2c1 ZINC001175701357 1121419523 /nfs/dbraw/zinc/41/95/23/1121419523.db2.gz AGGGPJFHJPIPRV-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN CCc1cccc(O)c1Nc1ccc2n[nH]c(C)c2c1 ZINC001175701740 1121419818 /nfs/dbraw/zinc/41/98/18/1121419818.db2.gz JGNSCWSWTVODIK-UHFFFAOYSA-N 0 1 267.332 3.883 20 0 CHADMN CNc1cccc(C)c1Nc1ccc2n[nH]c(C)c2c1 ZINC001175702334 1121421046 /nfs/dbraw/zinc/42/10/46/1121421046.db2.gz MXCBKAHJGHCHOU-UHFFFAOYSA-N 0 1 266.348 3.965 20 0 CHADMN Cc1[nH]nc2cc(Nc3cnc(Cl)nc3Cl)ccc12 ZINC001175656215 1121422044 /nfs/dbraw/zinc/42/20/44/1121422044.db2.gz AHZYBBVBPHEIBC-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN CCCC1CCN(Cc2cccc(F)c2OC)CC1 ZINC001143533098 1121422624 /nfs/dbraw/zinc/42/26/24/1121422624.db2.gz OPFQCQXBKLNCLX-UHFFFAOYSA-N 0 1 265.372 3.846 20 0 CHADMN c1nc2ccc(CNc3cccc4cccnc43)cc2[nH]1 ZINC000676315476 1121423375 /nfs/dbraw/zinc/42/33/75/1121423375.db2.gz DVKBAEZZKUPFDB-UHFFFAOYSA-N 0 1 274.327 3.723 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccnc3N3CCCC3)ccc21 ZINC001175659204 1121423358 /nfs/dbraw/zinc/42/33/58/1121423358.db2.gz GIVMGKOEWPQZFJ-UHFFFAOYSA-N 0 1 293.374 3.610 20 0 CHADMN Cc1n[nH]c2cc(Nc3cc(C)nc4ccccc43)ccc12 ZINC001175658358 1121423524 /nfs/dbraw/zinc/42/35/24/1121423524.db2.gz XQFKILFMQANXOL-UHFFFAOYSA-N 0 1 288.354 3.893 20 0 CHADMN Cc1cn2c(cccc2Nc2ccc3c(C)[nH]nc3c2)n1 ZINC001175659873 1121424661 /nfs/dbraw/zinc/42/46/61/1121424661.db2.gz QFYMIRAOBLBYAZ-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc(Cl)c3O)ccc12 ZINC001175662397 1121426054 /nfs/dbraw/zinc/42/60/54/1121426054.db2.gz KIMPNDCMLURAQC-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN COc1cc(C)ccc1Nc1ccc2c(c1)n[nH]c2C ZINC001175662323 1121426174 /nfs/dbraw/zinc/42/61/74/1121426174.db2.gz GPLWSXYDSIRTNL-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4c3CCCO4)ccc21 ZINC001175664444 1121427260 /nfs/dbraw/zinc/42/72/60/1121427260.db2.gz AJFJILGVIWKXAM-UHFFFAOYSA-N 0 1 279.343 3.940 20 0 CHADMN COC(=O)c1ccc(F)c(Nc2ccc3c(C)[nH]nc3c2)c1 ZINC001175663078 1121427453 /nfs/dbraw/zinc/42/74/53/1121427453.db2.gz RSKJHAHRJMOEKX-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN OC[C@H](Nc1ccnc2cc(F)ccc21)C1CCCCC1 ZINC000676351368 1121428202 /nfs/dbraw/zinc/42/82/02/1121428202.db2.gz AXLIOJJPMIJUMX-KRWDZBQOSA-N 0 1 288.366 3.727 20 0 CHADMN c1ccc2sc([C@H]3CCCN3[C@@H]3CCCOC3)nc2c1 ZINC000676369150 1121428368 /nfs/dbraw/zinc/42/83/68/1121428368.db2.gz BXOBWRSULZQHIY-TZMCWYRMSA-N 0 1 288.416 3.612 20 0 CHADMN COc1c(Nc2ccc3n[nH]c(C)c3c2)ccc(F)c1F ZINC001175702950 1121429485 /nfs/dbraw/zinc/42/94/85/1121429485.db2.gz UWOQXLDSPXMUFQ-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(F)c(F)c3O)ccc12 ZINC001175666535 1121429518 /nfs/dbraw/zinc/42/95/18/1121429518.db2.gz YMHRNJLPHILZFD-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN CCCN(Cc1ocnc1C)Cc1ccc(C)cc1 ZINC000893904631 1121436364 /nfs/dbraw/zinc/43/63/64/1121436364.db2.gz CKFZITSYJLKWJH-UHFFFAOYSA-N 0 1 258.365 3.704 20 0 CHADMN Cc1ccc(CN[C@@H](c2cccnc2)C2CC2)c(F)c1 ZINC000631101875 1128985172 /nfs/dbraw/zinc/98/51/72/1128985172.db2.gz LJRFKNMKIJEICT-QGZVFWFLSA-N 0 1 270.351 3.770 20 0 CHADMN Cc1coc(CN2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000893915998 1121438880 /nfs/dbraw/zinc/43/88/80/1121438880.db2.gz BRUSPJXDVRNHJE-UHFFFAOYSA-N 0 1 283.371 3.683 20 0 CHADMN Cc1ccnc(N)c1CN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000893918316 1121439973 /nfs/dbraw/zinc/43/99/73/1121439973.db2.gz AGBLLTOMBGLDHV-ZDUSSCGKSA-N 0 1 295.386 3.911 20 0 CHADMN Cc1ncoc1CN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000893920493 1121440941 /nfs/dbraw/zinc/44/09/41/1121440941.db2.gz ASRPKDSPYARJGT-UHFFFAOYSA-N 0 1 288.778 3.926 20 0 CHADMN Cc1coc(CN2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000893920249 1121441325 /nfs/dbraw/zinc/44/13/25/1121441325.db2.gz ZQVJLMOEULOIEJ-UHFFFAOYSA-N 0 1 293.370 3.754 20 0 CHADMN Cn1c(CN2CCCC[C@@H](F)C2)cc2ccccc21 ZINC001139868751 1121446447 /nfs/dbraw/zinc/44/64/47/1121446447.db2.gz XNXYMFUOMCHFJR-CQSZACIVSA-N 0 1 260.356 3.502 20 0 CHADMN Nc1cc(C(F)(F)F)cnc1NC1=CCCCC1 ZINC001175751608 1121447550 /nfs/dbraw/zinc/44/75/50/1121447550.db2.gz DTNBNXZFWFLSHA-UHFFFAOYSA-N 0 1 257.259 3.552 20 0 CHADMN Cc1ncoc1CN(C)CCCOc1ccc(Cl)cc1 ZINC000893967350 1121448224 /nfs/dbraw/zinc/44/82/24/1121448224.db2.gz KMIVIJXYHLZUBL-UHFFFAOYSA-N 0 1 294.782 3.537 20 0 CHADMN Cc1ccncc1CN1CC(C)(C)[C@@H]1c1ccccc1 ZINC000676705586 1121457296 /nfs/dbraw/zinc/45/72/96/1121457296.db2.gz SQBOVDZNVIGIGA-KRWDZBQOSA-N 0 1 266.388 3.973 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2csc(C)c2C)n[nH]1 ZINC000631121875 1128985979 /nfs/dbraw/zinc/98/59/79/1128985979.db2.gz UFUKACBJQOZNBL-KOLCDFICSA-N 0 1 292.452 3.847 20 0 CHADMN Clc1ncc(CN2CC[C@@H](C3CCCC3)C2)s1 ZINC000708822263 1121466468 /nfs/dbraw/zinc/46/64/68/1121466468.db2.gz NVEPBXICVPETAS-LLVKDONJSA-N 0 1 270.829 3.809 20 0 CHADMN C[C@@H](C[N@H+]1CCCC[C@H]1CCC(=O)[O-])CC(C)(C)C ZINC000709118754 1121468776 /nfs/dbraw/zinc/46/87/76/1121468776.db2.gz PMQUIMNYHZMOGH-KGLIPLIRSA-N 0 1 269.429 3.778 20 0 CHADMN COc1cc(F)c(C(C)C)cc1Nc1ccnc(CO)c1 ZINC001175830426 1121469434 /nfs/dbraw/zinc/46/94/34/1121469434.db2.gz XBPIQFLHRGSJLH-UHFFFAOYSA-N 0 1 290.338 3.589 20 0 CHADMN CCSc1cc(CNCc2ccc(C)cc2F)ccn1 ZINC000631115997 1128986376 /nfs/dbraw/zinc/98/63/76/1128986376.db2.gz UJWGBLAWSNNJMT-UHFFFAOYSA-N 0 1 290.407 3.931 20 0 CHADMN COc1c(F)cc(F)cc1CN1CCC[C@@H](C)CC1 ZINC001143552182 1121470043 /nfs/dbraw/zinc/47/00/43/1121470043.db2.gz SZDDJKUVPVPDMD-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN C[C@H](C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])CC(C)(C)C ZINC000709280548 1121470964 /nfs/dbraw/zinc/47/09/64/1121470964.db2.gz KAXQHOKXZVAYIL-YJNKXOJESA-N 0 1 281.440 3.776 20 0 CHADMN Clc1oc2ccccc2c1CNCCOC1CCC1 ZINC000709844143 1121471997 /nfs/dbraw/zinc/47/19/97/1121471997.db2.gz SPVOXAMQYCIJQJ-UHFFFAOYSA-N 0 1 279.767 3.745 20 0 CHADMN CC(C)C[C@H](N[C@@H](C)c1cn(C)cn1)c1ccccc1 ZINC000709921113 1121472293 /nfs/dbraw/zinc/47/22/93/1121472293.db2.gz SWVLFQMRGUPRPK-HOCLYGCPSA-N 0 1 271.408 3.858 20 0 CHADMN CC[C@H](N[C@@H](C)c1cn(C)cn1)c1cccc(Cl)c1 ZINC000710005199 1121473595 /nfs/dbraw/zinc/47/35/95/1121473595.db2.gz GAUAGYMWYXZVOE-FZMZJTMJSA-N 0 1 277.799 3.875 20 0 CHADMN O=C([O-])C[N@H+](Cc1ccc(-c2ccccc2)cc1)CC1CC1 ZINC000315540276 1121474730 /nfs/dbraw/zinc/47/47/30/1121474730.db2.gz KHHMVCQABGXCAB-UHFFFAOYSA-N 0 1 295.382 3.650 20 0 CHADMN C[C@H](N[C@H]1COC[C@@H]1C)c1cc(Cl)sc1Cl ZINC000711104218 1121476284 /nfs/dbraw/zinc/47/62/84/1121476284.db2.gz FUNOBPIUBQHJEG-ZKWXMUAHSA-N 0 1 280.220 3.740 20 0 CHADMN Cc1cc(CNC2CC(F)(c3cccc(Cl)c3)C2)on1 ZINC000631127559 1128986849 /nfs/dbraw/zinc/98/68/49/1128986849.db2.gz UJFOAPMJBDBBKU-UHFFFAOYSA-N 0 1 294.757 3.753 20 0 CHADMN COc1cccc(-n2c(N)nc3c2cccc3C)c1Cl ZINC001175894366 1121478906 /nfs/dbraw/zinc/47/89/06/1121478906.db2.gz QUAGCMLTTSFQGB-UHFFFAOYSA-N 0 1 287.750 3.578 20 0 CHADMN CC[C@H]1CCC[C@H]1C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC001129273964 1121481559 /nfs/dbraw/zinc/48/15/59/1121481559.db2.gz HDEBBMGACZXQJS-NWDGAFQWSA-N 0 1 271.364 3.636 20 0 CHADMN CC(=CC(=O)Nc1nc2ccc(C)cc2[nH]1)c1cccs1 ZINC001129273468 1121481644 /nfs/dbraw/zinc/48/16/44/1121481644.db2.gz FDUWGCVLLXMVER-LUAWRHEFSA-N 0 1 297.383 3.975 20 0 CHADMN CC1CCC(N(Cc2nnc(C(C)(C)C)[nH]2)C2CC2)CC1 ZINC000432923921 1121483235 /nfs/dbraw/zinc/48/32/35/1121483235.db2.gz JCBGPSNGTNFNMX-UHFFFAOYSA-N 0 1 290.455 3.645 20 0 CHADMN C[C@H]1CCN(Cc2csc(-c3ccccn3)n2)C[C@H]1C ZINC000245875023 1121484639 /nfs/dbraw/zinc/48/46/39/1121484639.db2.gz HIKUQNMCLDNNPK-QWHCGFSZSA-N 0 1 287.432 3.683 20 0 CHADMN c1cc(Oc2ccccc2)oc1CNC[C@H]1CCC=CO1 ZINC000780565637 1121491112 /nfs/dbraw/zinc/49/11/12/1121491112.db2.gz DWCKHCTWJBYCFA-OAHLLOKOSA-N 0 1 285.343 3.854 20 0 CHADMN C[C@H]1C[C@H](NCc2ccc(F)c3ccccc23)c2nccn21 ZINC000631152510 1128987877 /nfs/dbraw/zinc/98/78/77/1128987877.db2.gz QDDRISSDIDPGRE-SJCJKPOMSA-N 0 1 295.361 3.971 20 0 CHADMN Fc1ccc(Cl)c(CN2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000625777766 1121496055 /nfs/dbraw/zinc/49/60/55/1121496055.db2.gz ITGUHTDMKSKYOP-OLZOCXBDSA-N 0 1 285.815 3.949 20 0 CHADMN Cc1ccccc1C1(NCc2ccnn2CC2CCC2)CC1 ZINC000631165077 1128988862 /nfs/dbraw/zinc/98/88/62/1128988862.db2.gz GZKDZXKFZWFBBX-UHFFFAOYSA-N 0 1 295.430 3.771 20 0 CHADMN OC[C@H]1C[C@H](NCc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000923006817 1121508646 /nfs/dbraw/zinc/50/86/46/1121508646.db2.gz FPYXILLRZJUOSP-ZKCHVHJHSA-N 0 1 294.609 3.507 20 0 CHADMN COC(=O)[C@@H](c1ccccc1C)N(C)C[C@H](C)C(C)(C)C ZINC001175982471 1121512430 /nfs/dbraw/zinc/51/24/30/1121512430.db2.gz GNTWQUXEIFMBFK-GOEBONIOSA-N 0 1 291.435 3.823 20 0 CHADMN Cc1nc(C)c(CN[C@]2(C)CCOc3ccccc32)s1 ZINC000923024203 1121513223 /nfs/dbraw/zinc/51/32/23/1121513223.db2.gz HFXHNYNTIYQHDH-MRXNPFEDSA-N 0 1 288.416 3.547 20 0 CHADMN CCC[C@@H](C)c1cc(Nc2ccc3nn[nH]c3c2)on1 ZINC001175996060 1121513511 /nfs/dbraw/zinc/51/35/11/1121513511.db2.gz MZFPDUKMLFWDQP-SECBINFHSA-N 0 1 271.324 3.593 20 0 CHADMN CCC[C@@H](C)c1cc(Nc2ccc3n[nH]nc3c2)on1 ZINC001175996060 1121513523 /nfs/dbraw/zinc/51/35/23/1121513523.db2.gz MZFPDUKMLFWDQP-SECBINFHSA-N 0 1 271.324 3.593 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@]1(C)CCOc2ccccc21 ZINC000923023897 1121514490 /nfs/dbraw/zinc/51/44/90/1121514490.db2.gz FBUAMPPGJXCBTG-GOSISDBHSA-N 0 1 299.418 3.560 20 0 CHADMN Cc1cc(Nc2ccc3nn[nH]c3c2)nc2ccccc12 ZINC001175996081 1121514527 /nfs/dbraw/zinc/51/45/27/1121514527.db2.gz NSPJGDGALSEHNN-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1cc(Nc2ccc3n[nH]nc3c2)nc2ccccc12 ZINC001175996081 1121514533 /nfs/dbraw/zinc/51/45/33/1121514533.db2.gz NSPJGDGALSEHNN-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN COCc1csc(CNCc2ccc(C(F)F)nc2)c1 ZINC000631175526 1128989340 /nfs/dbraw/zinc/98/93/40/1128989340.db2.gz ZTPMDMQODLUKBZ-UHFFFAOYSA-N 0 1 298.358 3.517 20 0 CHADMN CCCc1c(C)[nH]n(-c2ccc(Br)cc2)c1=O ZINC000614185811 1121514972 /nfs/dbraw/zinc/51/49/72/1121514972.db2.gz RKFJFWZBJUDCDT-GFCCVEGCSA-N 0 1 295.180 3.588 20 0 CHADMN Clc1cc(Nc2ccc3nn[nH]c3c2)c2ccccc2n1 ZINC001175999033 1121519688 /nfs/dbraw/zinc/51/96/88/1121519688.db2.gz TUGAUDFJIAYSBR-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1cc(Nc2ccc3n[nH]nc3c2)c2ccccc2n1 ZINC001175999033 1121519694 /nfs/dbraw/zinc/51/96/94/1121519694.db2.gz TUGAUDFJIAYSBR-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Fc1ccc(Nc2ccc3nn[nH]c3c2)c(F)c1Cl ZINC001176001886 1121519880 /nfs/dbraw/zinc/51/98/80/1121519880.db2.gz DFDVTCFTTBNWDD-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN Fc1ccc(Nc2ccc3n[nH]nc3c2)c(F)c1Cl ZINC001176001886 1121519886 /nfs/dbraw/zinc/51/98/86/1121519886.db2.gz DFDVTCFTTBNWDD-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN Cc1cccc2c1CC[C@@H]2N[C@@H](C)c1cn2c(n1)CCCC2 ZINC000925370444 1121519876 /nfs/dbraw/zinc/51/98/76/1121519876.db2.gz LXZDJQCGARZFHK-YOEHRIQHSA-N 0 1 295.430 3.866 20 0 CHADMN COc1ccc(F)c(Nc2ccc3nn[nH]c3c2)c1Cl ZINC001176005058 1121520439 /nfs/dbraw/zinc/52/04/39/1121520439.db2.gz SQPXQBSBFQERLQ-UHFFFAOYSA-N 0 1 292.701 3.503 20 0 CHADMN COc1ccc(F)c(Nc2ccc3n[nH]nc3c2)c1Cl ZINC001176005058 1121520449 /nfs/dbraw/zinc/52/04/49/1121520449.db2.gz SQPXQBSBFQERLQ-UHFFFAOYSA-N 0 1 292.701 3.503 20 0 CHADMN Cc1cc2cc(Nc3ccc4nn[nH]c4c3)ccc2o1 ZINC001176004922 1121521401 /nfs/dbraw/zinc/52/14/01/1121521401.db2.gz QQHARYMIKCQJFZ-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1cc2cc(Nc3ccc4n[nH]nc4c3)ccc2o1 ZINC001176004922 1121521406 /nfs/dbraw/zinc/52/14/06/1121521406.db2.gz QQHARYMIKCQJFZ-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Fc1ccc(C(F)(F)F)cc1Nc1ccc2nn[nH]c2c1 ZINC001176005591 1121521737 /nfs/dbraw/zinc/52/17/37/1121521737.db2.gz JWNGOXPMLAIOCO-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Fc1ccc(C(F)(F)F)cc1Nc1ccc2n[nH]nc2c1 ZINC001176005591 1121521744 /nfs/dbraw/zinc/52/17/44/1121521744.db2.gz JWNGOXPMLAIOCO-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Cc1cc(Nc2ccc3nn[nH]c3c2)c(F)cc1Cl ZINC001176003951 1121522427 /nfs/dbraw/zinc/52/24/27/1121522427.db2.gz XLLHUTHHRXXPAN-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1cc(Nc2ccc3n[nH]nc3c2)c(F)cc1Cl ZINC001176003951 1121522431 /nfs/dbraw/zinc/52/24/31/1121522431.db2.gz XLLHUTHHRXXPAN-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1ccc2cccc(Nc3ccc4nn[nH]c4c3)c2n1 ZINC001176002671 1121522577 /nfs/dbraw/zinc/52/25/77/1121522577.db2.gz QMESUEIHXMEDMC-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1ccc2cccc(Nc3ccc4n[nH]nc4c3)c2n1 ZINC001176002671 1121522584 /nfs/dbraw/zinc/52/25/84/1121522584.db2.gz QMESUEIHXMEDMC-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN CC[N@@H+](CCc1cncs1)Cc1ccc(Cl)s1 ZINC000411139110 1121523818 /nfs/dbraw/zinc/52/38/18/1121523818.db2.gz SLMHHPKRUZVKMA-UHFFFAOYSA-N 0 1 286.853 3.923 20 0 CHADMN C[C@@H]1CC2(CCC2)CN1Cc1cc(F)c(F)c(F)c1 ZINC000433027613 1121526196 /nfs/dbraw/zinc/52/61/96/1121526196.db2.gz WBQVXDWASRLKBN-SNVBAGLBSA-N 0 1 269.310 3.868 20 0 CHADMN CCc1ccc(CN(C)[C@@H](C)c2ccccn2)s1 ZINC000543624395 1121532065 /nfs/dbraw/zinc/53/20/65/1121532065.db2.gz XQTKODUNNFPJBI-LBPRGKRZSA-N 0 1 260.406 3.899 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc(C)c(F)c3F)c2c1 ZINC001176091677 1121536498 /nfs/dbraw/zinc/53/64/98/1121536498.db2.gz REIABPZLWMYJCC-UHFFFAOYSA-N 0 1 273.286 3.503 20 0 CHADMN O=C(c1ccc(Cl)cc1Nc1ncc[nH]1)C(F)(F)F ZINC001176091235 1121536608 /nfs/dbraw/zinc/53/66/08/1121536608.db2.gz WJMOLJKXTAERNB-UHFFFAOYSA-N 0 1 289.644 3.552 20 0 CHADMN C[C@@H](NC[C@H]1CCC2(CCC2)O1)c1c(F)cccc1F ZINC000711470614 1121537863 /nfs/dbraw/zinc/53/78/63/1121537863.db2.gz BHCPVSKLZAPTKI-VXGBXAGGSA-N 0 1 281.346 3.717 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC1CCC2(CC2)CC1 ZINC000923229401 1121542904 /nfs/dbraw/zinc/54/29/04/1121542904.db2.gz GTDZTQROKVMZLT-OAGGEKHMSA-N 0 1 291.435 3.675 20 0 CHADMN CCC[N@@H+](Cc1ccc(-c2ncco2)cc1F)C1CC1 ZINC000411228285 1121543293 /nfs/dbraw/zinc/54/32/93/1121543293.db2.gz RUVMHGYJMRHGTI-UHFFFAOYSA-N 0 1 274.339 3.855 20 0 CHADMN CCCN(Cc1ccc(-c2ncco2)cc1F)C1CC1 ZINC000411228285 1121543298 /nfs/dbraw/zinc/54/32/98/1121543298.db2.gz RUVMHGYJMRHGTI-UHFFFAOYSA-N 0 1 274.339 3.855 20 0 CHADMN CC(C)COc1cccc(F)c1N=C1CCOCC1 ZINC001176146352 1121550249 /nfs/dbraw/zinc/55/02/49/1121550249.db2.gz UPFNKDSQQWYTEJ-UHFFFAOYSA-N 0 1 265.328 3.577 20 0 CHADMN CSc1ccc(OCCN(C)Cc2occc2C)cc1 ZINC000429374587 1121553447 /nfs/dbraw/zinc/55/34/47/1121553447.db2.gz DJOCEFIEBGIPLW-UHFFFAOYSA-N 0 1 291.416 3.821 20 0 CHADMN C[C@@H]1CC(F)(F)CCN1Cc1cccc(OC(F)F)c1 ZINC000625979588 1121566433 /nfs/dbraw/zinc/56/64/33/1121566433.db2.gz BEOIRJOLHGWQAI-SNVBAGLBSA-N 0 1 291.288 3.908 20 0 CHADMN Cc1csc(CCC(=O)Nc2ccc3c(C)[nH]nc3c2)c1 ZINC001176183779 1121567027 /nfs/dbraw/zinc/56/70/27/1121567027.db2.gz VFQHGHOGDWZACK-UHFFFAOYSA-N 0 1 299.399 3.813 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(OC(C)C)cc1Cl ZINC001176158401 1121571545 /nfs/dbraw/zinc/57/15/45/1121571545.db2.gz MADIQQORARYLQG-UHFFFAOYSA-N 0 1 279.771 3.913 20 0 CHADMN FCCCCN1CCc2cccc(C(F)(F)F)c2C1 ZINC000626008486 1121575661 /nfs/dbraw/zinc/57/56/61/1121575661.db2.gz KYLVGVOIUFFVKA-UHFFFAOYSA-N 0 1 275.289 3.813 20 0 CHADMN Clc1sccc1CNCc1cccc2c1CCOC2 ZINC000631243693 1128994702 /nfs/dbraw/zinc/99/47/02/1128994702.db2.gz DFXCMNRCGHVQKE-UHFFFAOYSA-N 0 1 293.819 3.764 20 0 CHADMN Fc1cc(Cl)cc(CN[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000631259705 1128995366 /nfs/dbraw/zinc/99/53/66/1128995366.db2.gz BIFBLCXMNNVZRO-NXEZZACHSA-N 0 1 267.653 3.520 20 0 CHADMN FC(F)(F)[C@@H]1C[C@H]1NCc1cnc(-c2ccccc2)s1 ZINC000631261811 1128996040 /nfs/dbraw/zinc/99/60/40/1128996040.db2.gz CJRSRZQDHPXSBX-VXGBXAGGSA-N 0 1 298.333 3.851 20 0 CHADMN FC(F)(F)c1sccc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631262062 1128996155 /nfs/dbraw/zinc/99/61/55/1128996155.db2.gz MXJLWULYSUMRFY-RNFRBKRXSA-N 0 1 289.244 3.807 20 0 CHADMN Cc1nc2ccc(NC(=O)CCc3ccccc3F)cc2[nH]1 ZINC000074819712 1121605975 /nfs/dbraw/zinc/60/59/75/1121605975.db2.gz RNAKNDVMCPAEHT-UHFFFAOYSA-N 0 1 297.333 3.582 20 0 CHADMN C[C@H](SCc1nnc[nH]1)c1ccccc1Br ZINC001118538106 1121668598 /nfs/dbraw/zinc/66/85/98/1121668598.db2.gz RPZXRKLMLRXHOB-QMMMGPOBSA-N 0 1 298.209 3.562 20 0 CHADMN Cc1nc2c(n1Cc1cnc3ccc(C)cc3c1)CCCC2 ZINC000664048266 1121607917 /nfs/dbraw/zinc/60/79/17/1121607917.db2.gz FJNJMDSIGVHCGY-UHFFFAOYSA-N 0 1 291.398 3.975 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1scnc1C1CC1 ZINC000486961466 1121615964 /nfs/dbraw/zinc/61/59/64/1121615964.db2.gz CEFZANSYUGJSIM-AWEZNQCLSA-N 0 1 288.391 3.937 20 0 CHADMN CCN(c1ccc(N[C@@H](C)c2cnn(C)c2)cc1)C(C)C ZINC000182774048 1128997803 /nfs/dbraw/zinc/99/78/03/1128997803.db2.gz GVWPPRCATUKCKX-AWEZNQCLSA-N 0 1 286.423 3.828 20 0 CHADMN Clc1cccc(CN[C@]23C[C@H]2COC32CCC2)c1Cl ZINC001176442334 1121623483 /nfs/dbraw/zinc/62/34/83/1121623483.db2.gz SGJWVBCILPFQHB-XHDPSFHLSA-N 0 1 298.213 3.795 20 0 CHADMN c1ccc2cc(CN3CCOC[C@@H]3CC3CC3)ccc2c1 ZINC001176402078 1121625422 /nfs/dbraw/zinc/62/54/22/1121625422.db2.gz LDIALSVKLSZJKH-IBGZPJMESA-N 0 1 281.399 3.841 20 0 CHADMN Oc1ccc(Nc2ccncc2Oc2ccccc2)c(F)c1 ZINC001176410590 1121625894 /nfs/dbraw/zinc/62/58/94/1121625894.db2.gz WQEHOPZNOGNUKZ-UHFFFAOYSA-N 0 1 296.301 3.884 20 0 CHADMN Fc1ccc(CN2CCSC3(CCC3)CC2)c(F)c1 ZINC000411867933 1121628489 /nfs/dbraw/zinc/62/84/89/1121628489.db2.gz JXVSOJIDYMCGIS-UHFFFAOYSA-N 0 1 283.387 3.826 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1cccc(OCC2CC2)c1 ZINC001176491150 1121637749 /nfs/dbraw/zinc/63/77/49/1121637749.db2.gz WQVKBGMWGFPQJK-UHFFFAOYSA-N 0 1 293.370 3.705 20 0 CHADMN Cc1c[nH+]c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(C)c1 ZINC001176584013 1121648252 /nfs/dbraw/zinc/64/82/52/1121648252.db2.gz CIUBUYNTWGHQBF-UHFFFAOYSA-N 0 1 282.343 3.558 20 0 CHADMN CCCc1cc(=O)n(-c2ccccc2C(F)(F)F)[nH]1 ZINC000607716372 1121667112 /nfs/dbraw/zinc/66/71/12/1121667112.db2.gz VJLWUYGVGRRBTC-UHFFFAOYSA-N 0 1 270.254 3.598 20 0 CHADMN CN(Cc1nc(C2CC2)no1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419337126 1121667044 /nfs/dbraw/zinc/66/70/44/1121667044.db2.gz XZITVFQHINUCHD-QWHCGFSZSA-N 0 1 277.412 3.594 20 0 CHADMN Cc1cccc(C)c1CN1CCO[C@H](Cc2ccccc2)C1 ZINC001168764989 1121672020 /nfs/dbraw/zinc/67/20/20/1121672020.db2.gz DXWCDOJPQCWPOU-LJQANCHMSA-N 0 1 295.426 3.747 20 0 CHADMN Nc1nc2ccccc2n1-c1ccc(-c2ccncc2)cc1 ZINC001176695084 1121674894 /nfs/dbraw/zinc/67/48/94/1121674894.db2.gz XMSHLIJCTWYKLX-UHFFFAOYSA-N 0 1 286.338 3.670 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(Cl)cc1Cl ZINC001176651865 1121675612 /nfs/dbraw/zinc/67/56/12/1121675612.db2.gz GJISPICWWVZIBR-UHFFFAOYSA-N 0 1 256.136 3.779 20 0 CHADMN CN(c1ccccc1)c1ccc(CN[C@@H]2CCC[C@@H]2F)cn1 ZINC000645220355 1121675620 /nfs/dbraw/zinc/67/56/20/1121675620.db2.gz CXMZBSZDMXLQLV-DLBZAZTESA-N 0 1 299.393 3.830 20 0 CHADMN CC(C)[C@@H]1CC[C@@H]1N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000513662545 1121677991 /nfs/dbraw/zinc/67/79/91/1121677991.db2.gz XBGXMZTUQSNKNK-QEJZJMRPSA-N 0 1 285.391 3.822 20 0 CHADMN c1ccc(CC[C@@H]2CCCN2Cc2nc(C3CC3)no2)cc1 ZINC000052106006 1121679559 /nfs/dbraw/zinc/67/95/59/1121679559.db2.gz RXRUMFXCXMJPQE-INIZCTEOSA-N 0 1 297.402 3.544 20 0 CHADMN Cc1cc([C@@H](C)NCc2ocnc2C)c(C)s1 ZINC000894164134 1121685144 /nfs/dbraw/zinc/68/51/44/1121685144.db2.gz DJOCANGAALCESM-SECBINFHSA-N 0 1 250.367 3.512 20 0 CHADMN CCN(CCOC(C)C)Cc1ccc(Cl)s1 ZINC000053096481 1121696448 /nfs/dbraw/zinc/69/64/48/1121696448.db2.gz SBMBLFPYPCFGNB-UHFFFAOYSA-N 0 1 261.818 3.648 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN(C)CCC(C)C ZINC000052246237 1121696894 /nfs/dbraw/zinc/69/68/94/1121696894.db2.gz CLJTWMGYLMMWOZ-UHFFFAOYSA-N 0 1 282.815 3.565 20 0 CHADMN CCC1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000052279866 1121697714 /nfs/dbraw/zinc/69/77/14/1121697714.db2.gz JXTQMDNSKGKAEU-UHFFFAOYSA-N 0 1 270.376 3.964 20 0 CHADMN C[C@@H]1CN(Cc2nnc(-c3ccccc3)s2)[C@@H](C)[C@H]1C ZINC000419364039 1121700020 /nfs/dbraw/zinc/70/00/20/1121700020.db2.gz WNULRQVPQUYEBU-AGIUHOORSA-N 0 1 287.432 3.681 20 0 CHADMN CCO[C@H](C)c1nc(CN2C[C@H](C)[C@@H](C)[C@H]2C)cs1 ZINC000419369845 1121700994 /nfs/dbraw/zinc/70/09/94/1121700994.db2.gz IMAQZKKGVGVINT-UMSGYPCISA-N 0 1 282.453 3.717 20 0 CHADMN CCn1c2ccccc2nc1CN[C@@H]1CCc2ccccc21 ZINC000054041335 1121700922 /nfs/dbraw/zinc/70/09/22/1121700922.db2.gz FLDVLAZBNRCYOM-MRXNPFEDSA-N 0 1 291.398 3.833 20 0 CHADMN CCO[C@H](C)c1nc(CN2C[C@H](C)[C@H](C)[C@@H]2C)cs1 ZINC000419369847 1121701261 /nfs/dbraw/zinc/70/12/61/1121701261.db2.gz IMAQZKKGVGVINT-ZDEQEGDKSA-N 0 1 282.453 3.717 20 0 CHADMN C[C@H](C(=O)Nc1ccccc1Cl)N1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419369433 1121701447 /nfs/dbraw/zinc/70/14/47/1121701447.db2.gz HTLMBMXBAIGGQB-FDYHWXHSSA-N 0 1 294.826 3.643 20 0 CHADMN CCOCCC[N@@H+](CC)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001176964425 1121704104 /nfs/dbraw/zinc/70/41/04/1121704104.db2.gz BKOLKOUNGMIZNA-ZDUSSCGKSA-N 0 1 296.480 3.516 20 0 CHADMN CCOCCCN(CC)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001176964425 1121704111 /nfs/dbraw/zinc/70/41/11/1121704111.db2.gz BKOLKOUNGMIZNA-ZDUSSCGKSA-N 0 1 296.480 3.516 20 0 CHADMN Brc1ccc2c(c1)CCN([C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167926135 1121705284 /nfs/dbraw/zinc/70/52/84/1121705284.db2.gz BYTTULYSGVQGEY-NHAGDIPZSA-N 0 1 292.220 3.606 20 0 CHADMN CCc1ccc2c(c1)CCN(Cc1cc(C)cc(C)n1)C2 ZINC001177008265 1121705681 /nfs/dbraw/zinc/70/56/81/1121705681.db2.gz INMAAVPFPUQXAT-UHFFFAOYSA-N 0 1 280.415 3.819 20 0 CHADMN Cc1ccsc1C=CC(=O)Nc1nc2cccc(C)c2[nH]1 ZINC001177068181 1121710309 /nfs/dbraw/zinc/71/03/09/1121710309.db2.gz GPFOPNZZVVSIMP-VOTSOKGWSA-N 0 1 297.383 3.893 20 0 CHADMN C[C@@H]1CC=C(C(=O)Nc2nc3ccc(Cl)cc3[nH]2)CC1 ZINC001177128399 1121712841 /nfs/dbraw/zinc/71/28/41/1121712841.db2.gz LCVINZRQARGBQP-SECBINFHSA-N 0 1 289.766 3.901 20 0 CHADMN Cc1ccc2c(c1)CCN(C[C@@H](C)C(F)(F)F)C2 ZINC000484011166 1121715361 /nfs/dbraw/zinc/71/53/61/1121715361.db2.gz IOSPCBGALAHHMX-LLVKDONJSA-N 0 1 257.299 3.552 20 0 CHADMN CC(C)(C)C[C@@H](NC(=O)CCc1cnc[nH]1)c1ccccc1 ZINC000280109641 1121717733 /nfs/dbraw/zinc/71/77/33/1121717733.db2.gz BVDSNXXLFYHIFE-MRXNPFEDSA-N 0 1 299.418 3.636 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(N)cc1Cl ZINC001249730561 1121724600 /nfs/dbraw/zinc/72/46/00/1121724600.db2.gz FGUPOUYVRDSGRQ-UHFFFAOYSA-N 0 1 290.729 3.761 20 0 CHADMN COc1ccc(F)cc1[C@H](C)NCc1cc(C)nc(C)c1 ZINC001177315183 1121724791 /nfs/dbraw/zinc/72/47/91/1121724791.db2.gz NSKJIKLLLWKZBY-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN CCCc1ccc(NCc2ccnn2-c2ccncc2)cc1 ZINC001177378861 1121726870 /nfs/dbraw/zinc/72/68/70/1121726870.db2.gz FGDOJIULYTVULK-UHFFFAOYSA-N 0 1 292.386 3.832 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3C[C@@H]3c3cccs3)ccc12 ZINC001177547661 1121738719 /nfs/dbraw/zinc/73/87/19/1121738719.db2.gz ZYLDOPHHEVIJSY-QWHCGFSZSA-N 0 1 297.383 3.675 20 0 CHADMN CCC(CC)n1ccc(CN2CCc3ccccc3CC2)n1 ZINC000532621812 1121743192 /nfs/dbraw/zinc/74/31/92/1121743192.db2.gz ZYRODUTUZCVZOE-UHFFFAOYSA-N 0 1 297.446 3.845 20 0 CHADMN Cc1cc(C)c(CN[C@@H](CO)c2cccc(F)c2)cc1C ZINC001177827849 1121750035 /nfs/dbraw/zinc/75/00/35/1121750035.db2.gz DICVUMJVVDHEJX-SFHVURJKSA-N 0 1 287.378 3.574 20 0 CHADMN CCO[C@@H](CCNCc1csc(C(C)C)n1)C(C)C ZINC001177943234 1121760001 /nfs/dbraw/zinc/76/00/01/1121760001.db2.gz PSBBKSOKYJQZHI-AWEZNQCLSA-N 0 1 284.469 3.807 20 0 CHADMN Cc1cccc(CN[C@@H]2C=CCCC2)c1Br ZINC001178060688 1121763517 /nfs/dbraw/zinc/76/35/17/1121763517.db2.gz WURCPRIVEYDMPI-CYBMUJFWSA-N 0 1 280.209 3.956 20 0 CHADMN Cc1cc(CNc2ccc3c(c2)CN(C)C3)cnc1Cl ZINC001178094732 1121766906 /nfs/dbraw/zinc/76/69/06/1121766906.db2.gz QFGNKCBJMHFVSM-UHFFFAOYSA-N 0 1 287.794 3.601 20 0 CHADMN FC(F)(F)c1cccc(OC2CN([C@@H]3C[C@H]4C[C@H]4C3)C2)c1 ZINC001167939240 1121774579 /nfs/dbraw/zinc/77/45/79/1121774579.db2.gz LEELRCKJNOUYEH-PTEHBNRSSA-N 0 1 297.320 3.567 20 0 CHADMN CCC/C=C\C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000729346736 1121779555 /nfs/dbraw/zinc/77/95/55/1121779555.db2.gz CXZGKQQBJDYUAR-IJVDHGTGSA-N 0 1 299.374 3.709 20 0 CHADMN COc1cccc2c1OCCC[C@H]2NCc1ccoc1C ZINC000631577310 1129008769 /nfs/dbraw/zinc/00/87/69/1129008769.db2.gz QKUDAUDTZDVSCJ-OAHLLOKOSA-N 0 1 287.359 3.600 20 0 CHADMN COc1cc([C@@H](C)N[C@H]2CCCCc3ccccc32)on1 ZINC000924897343 1121787154 /nfs/dbraw/zinc/78/71/54/1121787154.db2.gz VNEUBYTUKGQZAF-DOMZBBRYSA-N 0 1 286.375 3.802 20 0 CHADMN c1ccc2nc(CN[C@@H]3CCCc4ncccc43)ccc2c1 ZINC000631573491 1129009328 /nfs/dbraw/zinc/00/93/28/1129009328.db2.gz MLMXNXPXXGVWSO-LJQANCHMSA-N 0 1 289.382 3.797 20 0 CHADMN C[N@@H+](CCS[C@@H]1CCC(C)(C)C1=O)Cc1ccccc1 ZINC000413002341 1121793302 /nfs/dbraw/zinc/79/33/02/1121793302.db2.gz FMUGECGPKQHOAX-OAHLLOKOSA-N 0 1 291.460 3.609 20 0 CHADMN Fc1cccc2c1OCC[C@H]2NCc1ccc2[nH]ccc2c1 ZINC001178518902 1121793825 /nfs/dbraw/zinc/79/38/25/1121793825.db2.gz CZFSRJQQLHWSLT-QGZVFWFLSA-N 0 1 296.345 3.920 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(C3CCC3)cc2)[nH]n1 ZINC000631580449 1129009883 /nfs/dbraw/zinc/00/98/83/1129009883.db2.gz HBABXOSQNGJQHI-ZDUSSCGKSA-N 0 1 269.392 3.836 20 0 CHADMN Fc1ccc(F)c2c1CC[C@@H]2NCCOC1CCCCC1 ZINC000513348651 1121804972 /nfs/dbraw/zinc/80/49/72/1121804972.db2.gz NSYYXPFUNBXOFV-INIZCTEOSA-N 0 1 295.373 3.891 20 0 CHADMN CCCCCC[C@H](CC)C(=O)NCc1cnc(CC)[nH]1 ZINC001178669897 1121805108 /nfs/dbraw/zinc/80/51/08/1121805108.db2.gz QNRZAQRBKRIVCX-ZDUSSCGKSA-N 0 1 279.428 3.585 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(F)c(F)c2)CCC1(F)F ZINC001204224376 1121809894 /nfs/dbraw/zinc/80/98/94/1121809894.db2.gz VHUMWGIZMVSXEH-SNVBAGLBSA-N 0 1 275.289 3.832 20 0 CHADMN Cc1cc(C)cc(OCCNCc2c(F)cccc2F)c1 ZINC000619774714 1129012319 /nfs/dbraw/zinc/01/23/19/1129012319.db2.gz YFVIMKKJBYHSKQ-UHFFFAOYSA-N 0 1 291.341 3.750 20 0 CHADMN CC(C)SCC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000619779444 1129012547 /nfs/dbraw/zinc/01/25/47/1129012547.db2.gz KCQBAIAIEKEATR-OAHLLOKOSA-N 0 1 281.490 3.918 20 0 CHADMN Cc1cccc2c1CC[C@@H]2NCc1ccc(C)c(C)n1 ZINC000414163628 1121836211 /nfs/dbraw/zinc/83/62/11/1121836211.db2.gz IVUZMWQNXKWQNL-SFHVURJKSA-N 0 1 266.388 3.784 20 0 CHADMN CCC[C@@H](NCc1cnc2onc(C)c2c1)c1ccccn1 ZINC000894234320 1121838352 /nfs/dbraw/zinc/83/83/52/1121838352.db2.gz FQWQNYOTOZSGHD-OAHLLOKOSA-N 0 1 296.374 3.557 20 0 CHADMN O=C(CN(C1CC1)C1CCCCC1)OCc1ccccc1 ZINC000731031468 1121843986 /nfs/dbraw/zinc/84/39/86/1121843986.db2.gz SFNKGGUNCLIVJJ-UHFFFAOYSA-N 0 1 287.403 3.527 20 0 CHADMN Cc1nc2ccc(NC(=O)CC3(C(F)(F)F)CC3)cc2[nH]1 ZINC000345131620 1121845473 /nfs/dbraw/zinc/84/54/73/1121845473.db2.gz WSYFRPGKOBIJHR-UHFFFAOYSA-N 0 1 297.280 3.542 20 0 CHADMN CN(Cc1ccoc1)Cc1cc(F)cc2cccnc21 ZINC000345130866 1121848498 /nfs/dbraw/zinc/84/84/98/1121848498.db2.gz MPHHGBGWKAXZAJ-UHFFFAOYSA-N 0 1 270.307 3.599 20 0 CHADMN Cc1cc([C@H]2CCCCN2C(=O)CC2(C)CCCC2)n[nH]1 ZINC001179151638 1121854682 /nfs/dbraw/zinc/85/46/82/1121854682.db2.gz DYEHSUBJSGIICE-OAHLLOKOSA-N 0 1 289.423 3.742 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNc2cnccc2-n2cccn2)o1 ZINC000345184512 1121855685 /nfs/dbraw/zinc/85/56/85/1121855685.db2.gz JPEUVTXEJZHOFL-JSGCOSHPSA-N 0 1 294.358 3.596 20 0 CHADMN Fc1cccc2c1OCC[C@@H]2N[C@@H]1CCCc2ncccc21 ZINC000631620738 1129014085 /nfs/dbraw/zinc/01/40/85/1129014085.db2.gz HDEIPCZCLAKTGF-SJORKVTESA-N 0 1 298.361 3.712 20 0 CHADMN c1snnc1CNC1CCC(C2CCCCC2)CC1 ZINC001179277465 1121869880 /nfs/dbraw/zinc/86/98/80/1121869880.db2.gz HOEMSRWBRJOKLE-UHFFFAOYSA-N 0 1 279.453 3.767 20 0 CHADMN COc1cc2ccccc2cc1CNCC(C)(C)F ZINC001179315707 1121872700 /nfs/dbraw/zinc/87/27/00/1121872700.db2.gz NGFRQTFDKLULCE-UHFFFAOYSA-N 0 1 261.340 3.686 20 0 CHADMN CC(C)c1nnc(CNC[C@@H](C)c2ccc(F)cc2)s1 ZINC000345327001 1121873914 /nfs/dbraw/zinc/87/39/14/1121873914.db2.gz WANFLIUDGFMFGK-LLVKDONJSA-N 0 1 293.411 3.694 20 0 CHADMN CC1(C)CCc2cc(CNCc3ccoc3)ccc2O1 ZINC000731676608 1121879470 /nfs/dbraw/zinc/87/94/70/1121879470.db2.gz BYYYWLRANXWWSI-UHFFFAOYSA-N 0 1 271.360 3.673 20 0 CHADMN CCc1ccccc1CNCc1noc2ccccc12 ZINC001179571129 1121888933 /nfs/dbraw/zinc/88/89/33/1121888933.db2.gz ZDIQPQXEFIRNAJ-UHFFFAOYSA-N 0 1 266.344 3.680 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1cc(C)cc(C)c1 ZINC000731864586 1121890299 /nfs/dbraw/zinc/89/02/99/1121890299.db2.gz YKSDGURRZJXFIQ-UHFFFAOYSA-N 0 1 276.424 3.754 20 0 CHADMN COc1c(C)cnc(CN2CCc3c(C)cccc3C2)c1C ZINC000731889665 1121891165 /nfs/dbraw/zinc/89/11/65/1121891165.db2.gz KNICECJHPFCWBM-UHFFFAOYSA-N 0 1 296.414 3.574 20 0 CHADMN CCC[C@H](NCc1cccnc1C)c1cc(C)ccn1 ZINC000631651224 1129017426 /nfs/dbraw/zinc/01/74/26/1129017426.db2.gz SWHKWSWOTLIZNW-INIZCTEOSA-N 0 1 269.392 3.724 20 0 CHADMN Cc1ncoc1CNCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000894242351 1121918157 /nfs/dbraw/zinc/91/81/57/1121918157.db2.gz XDNHRHHVKAOLHW-UHFFFAOYSA-N 0 1 283.375 3.679 20 0 CHADMN C[C@@H](N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000631654603 1129018397 /nfs/dbraw/zinc/01/83/97/1129018397.db2.gz CZSGORJYMKJCLW-HQQWDMGQSA-N 0 1 293.313 3.739 20 0 CHADMN CC(C)(C)c1nc(CN2CCC[C@]2(C)CCCO)cs1 ZINC000345929205 1121932363 /nfs/dbraw/zinc/93/23/63/1121932363.db2.gz AYZVLWHRZUZINZ-MRXNPFEDSA-N 0 1 296.480 3.568 20 0 CHADMN Cc1ccc([C@@H]2COCCN2C[C@@H]2C(C)=CCC[C@@H]2C)o1 ZINC001179956185 1121935596 /nfs/dbraw/zinc/93/55/96/1121935596.db2.gz CVVHRCGFYBUPOI-UAGQMJEPSA-N 0 1 289.419 3.954 20 0 CHADMN CCOc1ccc(CN2CCS[C@H]3CCCC[C@H]32)o1 ZINC001180053340 1121944271 /nfs/dbraw/zinc/94/42/71/1121944271.db2.gz YEFALBFAMKWHCJ-KGLIPLIRSA-N 0 1 281.421 3.538 20 0 CHADMN C[C@@H]1COC[C@@H](c2ccccc2)N1[C@@H]1C=CCCC1 ZINC000501067429 1121949857 /nfs/dbraw/zinc/94/98/57/1121949857.db2.gz IVLGUXPWRLTKPL-OIISXLGYSA-N 0 1 257.377 3.557 20 0 CHADMN CC(C)C[C@H]1CCCN1Cc1noc(-c2ccccc2)n1 ZINC000501084294 1121952772 /nfs/dbraw/zinc/95/27/72/1121952772.db2.gz FEIMVTSFJSQCQQ-OAHLLOKOSA-N 0 1 285.391 3.747 20 0 CHADMN Clc1ccc(CCSCc2n[nH]c(C3CC3)n2)cc1 ZINC000419605347 1121956200 /nfs/dbraw/zinc/95/62/00/1121956200.db2.gz SIGLFSABPPJOPB-UHFFFAOYSA-N 0 1 293.823 3.811 20 0 CHADMN Cn1cc(CN(CC2CCCCC2)C2CC2)c(Cl)n1 ZINC001180161332 1121960943 /nfs/dbraw/zinc/96/09/43/1121960943.db2.gz BOPBOVOVAAPGAZ-UHFFFAOYSA-N 0 1 281.831 3.618 20 0 CHADMN CC[C@H]1CN(Cc2ccc(Cl)c(C)c2)CCS1 ZINC001180199006 1121966033 /nfs/dbraw/zinc/96/60/33/1121966033.db2.gz OHSOMHCMSMHNLJ-ZDUSSCGKSA-N 0 1 269.841 3.976 20 0 CHADMN C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@@](C)(F)C1 ZINC000501391085 1121973856 /nfs/dbraw/zinc/97/38/56/1121973856.db2.gz HCZMWJOTTBMHHU-QMTHXVAHSA-N 0 1 273.298 3.783 20 0 CHADMN C[C@]1(F)CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000501427233 1121978516 /nfs/dbraw/zinc/97/85/16/1121978516.db2.gz OZVSQKNVYOHUQR-CABCVRRESA-N 0 1 251.320 3.637 20 0 CHADMN C[C@]1(F)CCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000501427233 1121978522 /nfs/dbraw/zinc/97/85/22/1121978522.db2.gz OZVSQKNVYOHUQR-CABCVRRESA-N 0 1 251.320 3.637 20 0 CHADMN Cc1cc(CN[C@@H]2c3ccccc3CCC[C@@H]2C)nn1C ZINC000414438179 1121979671 /nfs/dbraw/zinc/97/96/71/1121979671.db2.gz UWMUEHAUTRDBGV-UGSOOPFHSA-N 0 1 283.419 3.532 20 0 CHADMN Cc1ccnc(CN[C@H](C)c2ccc(Cl)cc2)c1 ZINC000328143786 1121980014 /nfs/dbraw/zinc/98/00/14/1121980014.db2.gz CMANVKIEYGUFPM-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN CCN(CC)CC(=O)Nc1cccc2c1[C@@H](C)CC2(C)C ZINC001180389719 1121982182 /nfs/dbraw/zinc/98/21/82/1121982182.db2.gz MMNCVMXVYFZPSC-ZDUSSCGKSA-N 0 1 288.435 3.752 20 0 CHADMN Cc1cc(CN[C@H]2c3ccccc3CC[C@H]2C(C)C)nn1C ZINC000414440951 1121983406 /nfs/dbraw/zinc/98/34/06/1121983406.db2.gz ZAQHBIHGQHMYRQ-PKOBYXMFSA-N 0 1 297.446 3.778 20 0 CHADMN Cc1cc(CN2CCN(c3cccc(C)c3)CC2)c(C)o1 ZINC001180462401 1121992514 /nfs/dbraw/zinc/99/25/14/1121992514.db2.gz LZLQBBKPUILJRR-UHFFFAOYSA-N 0 1 284.403 3.527 20 0 CHADMN CCCc1cccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC001180514298 1121992707 /nfs/dbraw/zinc/99/27/07/1121992707.db2.gz QUMIPMBPKKDWDD-UHFFFAOYSA-N 0 1 297.398 4.000 20 0 CHADMN Cc1nccc([C@@H]2CCC[N@H+]([C@H](C)c3cccc(F)c3)C2)n1 ZINC000615347213 1129023722 /nfs/dbraw/zinc/02/37/22/1129023722.db2.gz JZTDNDTWMVALPD-CZUORRHYSA-N 0 1 299.393 3.865 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)[C@@H](C)N2CCCC2)cc1 ZINC001180576344 1121997260 /nfs/dbraw/zinc/99/72/60/1121997260.db2.gz MVHARFALRGARCC-UONOGXRCSA-N 0 1 274.408 3.623 20 0 CHADMN CCCn1nccc1CN1CCC[C@@H]1c1ccc(C)cc1 ZINC001180540697 1121998763 /nfs/dbraw/zinc/99/87/63/1121998763.db2.gz NXLRNMCKPQIVRA-GOSISDBHSA-N 0 1 283.419 3.939 20 0 CHADMN CN(Cc1ccc(Cl)nc1)Cc1ccc2[nH]ccc2c1 ZINC001180540750 1121999012 /nfs/dbraw/zinc/99/90/12/1121999012.db2.gz PYWQPDLOTXOBFJ-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN Cc1ccc(CN[C@@H](CC(C)C)c2ccncc2)o1 ZINC000631729285 1129024373 /nfs/dbraw/zinc/02/43/73/1129024373.db2.gz AYBZJCAATSCTSH-INIZCTEOSA-N 0 1 258.365 3.860 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000501784275 1122007393 /nfs/dbraw/zinc/00/73/93/1122007393.db2.gz FAUPHKVMCWOLPM-WCQYABFASA-N 0 1 294.826 3.565 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1CC[C@H](C)[C@H](C)C1 ZINC000501784275 1122007398 /nfs/dbraw/zinc/00/73/98/1122007398.db2.gz FAUPHKVMCWOLPM-WCQYABFASA-N 0 1 294.826 3.565 20 0 CHADMN CCn1c2cccc(F)c2nc1C[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000501783823 1122007585 /nfs/dbraw/zinc/00/75/85/1122007585.db2.gz AIVGDZOYSIVICF-STQMWFEESA-N 0 1 289.398 3.673 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CC[C@H](C)[C@@H](C)C1 ZINC000501783823 1122007592 /nfs/dbraw/zinc/00/75/92/1122007592.db2.gz AIVGDZOYSIVICF-STQMWFEESA-N 0 1 289.398 3.673 20 0 CHADMN C[C@H]1C[N@H+](Cc2ncc(-c3cccc(F)c3)o2)CC[C@@H]1C ZINC000501787644 1122007700 /nfs/dbraw/zinc/00/77/00/1122007700.db2.gz YXJYUTJNPUCFML-STQMWFEESA-N 0 1 288.366 3.959 20 0 CHADMN C[C@H]1CN(Cc2ncc(-c3cccc(F)c3)o2)CC[C@@H]1C ZINC000501787644 1122007708 /nfs/dbraw/zinc/00/77/08/1122007708.db2.gz YXJYUTJNPUCFML-STQMWFEESA-N 0 1 288.366 3.959 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1CC[C@@H](C)[C@@H](C)C1 ZINC000501818138 1122011878 /nfs/dbraw/zinc/01/18/78/1122011878.db2.gz VWOFRCMGXBPFKG-NEPJUHHUSA-N 0 1 294.826 3.565 20 0 CHADMN Cc1cccc(-c2noc(CN3CC[C@@H](C)[C@@H](C)C3)n2)c1 ZINC000501815119 1122015605 /nfs/dbraw/zinc/01/56/05/1122015605.db2.gz MMDGCNKXTGKSDC-KGLIPLIRSA-N 0 1 285.391 3.523 20 0 CHADMN C[C@H]1CN(CCSC2CCCCC2)C[C@@H](C2CC2)O1 ZINC000501876003 1122020541 /nfs/dbraw/zinc/02/05/41/1122020541.db2.gz LWJMIBLVFPRQIH-BBRMVZONSA-N 0 1 283.481 3.552 20 0 CHADMN Cc1occc1CN[C@@H]1CCCN(C)c2ccccc21 ZINC000414459727 1122021781 /nfs/dbraw/zinc/02/17/81/1122021781.db2.gz MMGDMDZDZJVECE-MRXNPFEDSA-N 0 1 270.376 3.649 20 0 CHADMN COc1ccc(-c2cnc(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)o2)cc1 ZINC000153207111 1129025782 /nfs/dbraw/zinc/02/57/82/1129025782.db2.gz BWBFUXOENWIDRQ-GASCZTMLSA-N 0 1 298.386 3.582 20 0 CHADMN CC(C)(C)c1csc(CN2C[C@H]3CCC[C@@H]3C2)n1 ZINC000153221118 1129026115 /nfs/dbraw/zinc/02/61/15/1129026115.db2.gz NARLMIIBGAQZPI-VXGBXAGGSA-N 0 1 264.438 3.673 20 0 CHADMN C[C@H](CNc1nc(C2CCCC2)ns1)CC(F)(F)F ZINC000420658974 1122028715 /nfs/dbraw/zinc/02/87/15/1122028715.db2.gz ZIAFGMRTDGOMKA-QMMMGPOBSA-N 0 1 293.358 3.618 20 0 CHADMN C[C@H](NC/C=C\c1ccc(F)cc1F)c1ccncc1F ZINC000509949181 1122039355 /nfs/dbraw/zinc/03/93/55/1122039355.db2.gz PLGWAGCOMVGCKG-QUCGXOGASA-N 0 1 292.304 3.863 20 0 CHADMN Clc1ccc(CN2CCSC3(CCC3)CC2)o1 ZINC000414478912 1122042213 /nfs/dbraw/zinc/04/22/13/1122042213.db2.gz QKOKATCXOBVPRW-UHFFFAOYSA-N 0 1 271.813 3.795 20 0 CHADMN O=C(CCN1CCC[C@@H](CC(F)(F)F)C1)c1ccccc1 ZINC000420939082 1122047019 /nfs/dbraw/zinc/04/70/19/1122047019.db2.gz BNVLNFSMNGHIKX-ZDUSSCGKSA-N 0 1 299.336 3.924 20 0 CHADMN Fc1ccccc1CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420941301 1122047571 /nfs/dbraw/zinc/04/75/71/1122047571.db2.gz FJWXNTCIPQDBEW-NSHDSACASA-N 0 1 275.289 3.990 20 0 CHADMN FC(F)C[C@H](NCc1cccnc1)c1ccccc1 ZINC000420993695 1122056239 /nfs/dbraw/zinc/05/62/39/1122056239.db2.gz MFMLOCKHBUFNBW-AWEZNQCLSA-N 0 1 262.303 3.568 20 0 CHADMN FC(F)C[C@H](NCc1ccncc1)c1ccccc1 ZINC000421001450 1122059599 /nfs/dbraw/zinc/05/95/99/1122059599.db2.gz WXCZCRAHDVKECW-AWEZNQCLSA-N 0 1 262.303 3.568 20 0 CHADMN COc1ccc(CN(C(C)C)[C@H](C)c2ccsc2)nn1 ZINC000421006472 1122060738 /nfs/dbraw/zinc/06/07/38/1122060738.db2.gz KALOHHLFXLGFBA-GFCCVEGCSA-N 0 1 291.420 3.518 20 0 CHADMN C[C@@H]1CO[C@@H](C)CN1Cc1ccc(-c2ccccc2)cc1 ZINC000502242509 1122062035 /nfs/dbraw/zinc/06/20/35/1122062035.db2.gz LPYSPHQJGVSXKA-CVEARBPZSA-N 0 1 281.399 3.963 20 0 CHADMN C[C@@H]1CO[C@H](C(F)(F)F)CN1C[C@@H]1CCCC(C)(C)C1 ZINC001181675555 1122071371 /nfs/dbraw/zinc/07/13/71/1122071371.db2.gz SNJBGKWFSMKNRR-UPJWGTAASA-N 0 1 293.373 3.854 20 0 CHADMN CC[C@H](CC(C)C)C(=O)Nc1nc2ccc(OC)cc2[nH]1 ZINC001181804258 1122079913 /nfs/dbraw/zinc/07/99/13/1122079913.db2.gz BZQUWCDWUCXWBF-LLVKDONJSA-N 0 1 289.379 3.582 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)NCc1ccc2c[nH]nc2c1 ZINC000237180164 1122080432 /nfs/dbraw/zinc/08/04/32/1122080432.db2.gz KYTMAPVTDQXVEC-LLVKDONJSA-N 0 1 299.349 3.561 20 0 CHADMN Fc1cc(CN2CC(C3CCOCC3)C2)ccc1C(F)F ZINC000894256372 1122086313 /nfs/dbraw/zinc/08/63/13/1122086313.db2.gz GNNUTZRFQVJHCH-UHFFFAOYSA-N 0 1 299.336 3.622 20 0 CHADMN CC[C@H](CNCc1nn(C)c(C)c1Cl)c1ccccc1 ZINC000421324462 1122093237 /nfs/dbraw/zinc/09/32/37/1122093237.db2.gz HYOUZUKZVRFNGM-CYBMUJFWSA-N 0 1 291.826 3.665 20 0 CHADMN CC(C)[C@@H](NCc1ccc(F)cn1)c1ccc(F)cc1 ZINC000502524680 1122098274 /nfs/dbraw/zinc/09/82/74/1122098274.db2.gz RXYOLEJAQLLECR-MRXNPFEDSA-N 0 1 276.330 3.847 20 0 CHADMN Cc1ccc(Cl)c(NC(=O)c2cn[nH]c2C(C)C)c1 ZINC000631820105 1129031393 /nfs/dbraw/zinc/03/13/93/1129031393.db2.gz LOQCZRJLMXGYOO-UHFFFAOYSA-N 0 1 277.755 3.747 20 0 CHADMN CCc1ncc(CN[C@H](CC(F)F)c2ccccc2)cn1 ZINC000421374559 1122103564 /nfs/dbraw/zinc/10/35/64/1122103564.db2.gz PFIXFDHOFGAYKH-CQSZACIVSA-N 0 1 291.345 3.525 20 0 CHADMN COc1ccc2cc(CN(C)Cc3cccn3C)ccc2c1 ZINC000153292720 1129031495 /nfs/dbraw/zinc/03/14/95/1129031495.db2.gz MTQRWZYDHKMZEY-UHFFFAOYSA-N 0 1 294.398 3.819 20 0 CHADMN CO[C@@H]1CN([C@@H](C)c2ccc(F)c(Cl)c2)CC[C@H]1C ZINC000467300133 1122106765 /nfs/dbraw/zinc/10/67/65/1122106765.db2.gz BGKNAXPTPNFYBF-JRPNMDOOSA-N 0 1 285.790 3.897 20 0 CHADMN Cc1c(Cl)c(CN[C@@H](C)CCCC(F)(F)F)nn1C ZINC000421401452 1122107018 /nfs/dbraw/zinc/10/70/18/1122107018.db2.gz VNRCUJYDMAVYER-QMMMGPOBSA-N 0 1 297.752 3.593 20 0 CHADMN Cc1coc(CN2CC[C@H](Oc3ccc(Cl)cc3)C2)c1 ZINC001182086548 1122108040 /nfs/dbraw/zinc/10/80/40/1122108040.db2.gz KDARFIFPZMZYFV-HNNXBMFYSA-N 0 1 291.778 3.895 20 0 CHADMN CCC[C@H](NCc1nn(C)c(C)c1Cl)C(C)(C)C ZINC000421388401 1122109433 /nfs/dbraw/zinc/10/94/33/1122109433.db2.gz VMXHIYRWQGPCLN-LBPRGKRZSA-N 0 1 271.836 3.686 20 0 CHADMN CC[C@@H]1C[C@]1(NCc1cc(OC)ccn1)c1cccc(C)c1 ZINC000502566871 1122111300 /nfs/dbraw/zinc/11/13/00/1122111300.db2.gz SUGNZMDLAXYBOT-DNVCBOLYSA-N 0 1 296.414 3.814 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](CC(F)(F)F)C2)cn1 ZINC000421398759 1122111448 /nfs/dbraw/zinc/11/14/48/1122111448.db2.gz ZFWQNJBWVMYEHE-LBPRGKRZSA-N 0 1 272.314 3.554 20 0 CHADMN Cn1cc(CN2CCc3cc(F)ccc3C2)c2ccccc21 ZINC001204319615 1122113593 /nfs/dbraw/zinc/11/35/93/1122113593.db2.gz YCJBBFVKERDUDQ-UHFFFAOYSA-N 0 1 294.373 3.876 20 0 CHADMN CC(C)[C@H]1N(Cc2cc(F)ccc2F)CC12CCOCC2 ZINC000414525771 1122127981 /nfs/dbraw/zinc/12/79/81/1122127981.db2.gz KFZPWGWACPHEOS-MRXNPFEDSA-N 0 1 295.373 3.602 20 0 CHADMN CCN(C)c1ccccc1CN[C@@H]1CCCc2occc21 ZINC000774174977 1122138023 /nfs/dbraw/zinc/13/80/23/1122138023.db2.gz XGWMDNRBAHQMPG-MRXNPFEDSA-N 0 1 284.403 3.903 20 0 CHADMN CCC[C@@H](C(=O)OCC)N1CCC[C@@H]1c1cccs1 ZINC000502721271 1122142107 /nfs/dbraw/zinc/14/21/07/1122142107.db2.gz IEFAYYUORALHCA-OLZOCXBDSA-N 0 1 281.421 3.617 20 0 CHADMN C[C@H]1CC(C)(C)CN1Cc1nc(-c2ccccc2)c[nH]1 ZINC001182399223 1122148904 /nfs/dbraw/zinc/14/89/04/1122148904.db2.gz ZYJXAGGRZDNMJW-ZDUSSCGKSA-N 0 1 269.392 3.697 20 0 CHADMN C[C@@H](NCCCC1CC1)c1nc(-c2cccc(F)c2)no1 ZINC000774390281 1122160500 /nfs/dbraw/zinc/16/05/00/1122160500.db2.gz LBXDSMMBLOLBBK-LLVKDONJSA-N 0 1 289.354 3.717 20 0 CHADMN FC(F)[C@H]1CCCCN1Cc1cnc(-c2ccccc2)[nH]1 ZINC000503084021 1122165935 /nfs/dbraw/zinc/16/59/35/1122165935.db2.gz KAYFVYJSYCARKK-CQSZACIVSA-N 0 1 291.345 3.696 20 0 CHADMN COc1ccc(CNC(C)(C)c2ccc(Cl)cc2)nc1 ZINC000271709579 1122171088 /nfs/dbraw/zinc/17/10/88/1122171088.db2.gz APWKGKJUGOSNNO-UHFFFAOYSA-N 0 1 290.794 3.769 20 0 CHADMN Cc1ccccc1[C@H](NCc1ccno1)C(C)(C)C ZINC000271712685 1122171154 /nfs/dbraw/zinc/17/11/54/1122171154.db2.gz JXUDBESBACSVQE-HNNXBMFYSA-N 0 1 258.365 3.860 20 0 CHADMN CC1(C)c2ccccc2CC[N@@H+]1Cc1cccc2c1OCC2 ZINC001182507924 1122171855 /nfs/dbraw/zinc/17/18/55/1122171855.db2.gz GTGYWUDPFXQZEB-UHFFFAOYSA-N 0 1 293.410 3.915 20 0 CHADMN Fc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCc2c[nH]nc21 ZINC000271747296 1122173482 /nfs/dbraw/zinc/17/34/82/1122173482.db2.gz WVJPIBGEPSGZKX-HZPDHXFCSA-N 0 1 285.366 3.593 20 0 CHADMN CCc1noc(C)c1CNC(C)(C)c1cccc(C)c1 ZINC000271763427 1122175514 /nfs/dbraw/zinc/17/55/14/1122175514.db2.gz IIJXKOBTNGGFFJ-UHFFFAOYSA-N 0 1 272.392 3.879 20 0 CHADMN CCOc1cc(F)c(Nc2ccnc(CO)c2)cc1Cl ZINC001250068514 1122177148 /nfs/dbraw/zinc/17/71/48/1122177148.db2.gz OVHLUKZXOQRNFU-UHFFFAOYSA-N 0 1 296.729 3.509 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc(F)c1F)c1cccc(CO)c1 ZINC000271830145 1122177734 /nfs/dbraw/zinc/17/77/34/1122177734.db2.gz AEKJDQPXTZSIJM-VXGBXAGGSA-N 0 1 291.341 3.869 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2nccc3ccccc32)[C@H](C)CO1 ZINC001182694620 1122183485 /nfs/dbraw/zinc/18/34/85/1122183485.db2.gz VHNQNQDHBQVEQN-IIAWOOMASA-N 0 1 284.403 3.795 20 0 CHADMN CC[C@@H]1CN([C@@H](C)c2nccc3ccccc32)[C@H](C)CO1 ZINC001182694621 1122183648 /nfs/dbraw/zinc/18/36/48/1122183648.db2.gz VHNQNQDHBQVEQN-IJEWVQPXSA-N 0 1 284.403 3.795 20 0 CHADMN CCCOc1ccc(CN2CCC[C@H](F)C2)c(C)c1 ZINC001182752562 1122184733 /nfs/dbraw/zinc/18/47/33/1122184733.db2.gz AASYIHYZIWJGBA-HNNXBMFYSA-N 0 1 265.372 3.718 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H](C)c2cccc(F)c2F)n[nH]1 ZINC000271949885 1122185035 /nfs/dbraw/zinc/18/50/35/1122185035.db2.gz KDJFLGVXEARSMN-VHSXEESVSA-N 0 1 294.349 3.618 20 0 CHADMN Cc1ccnc(N)c1CNCc1cc(Cl)cc(Cl)c1 ZINC001182845451 1122190095 /nfs/dbraw/zinc/19/00/95/1122190095.db2.gz UBRHMJCZMZFDBF-UHFFFAOYSA-N 0 1 296.201 3.569 20 0 CHADMN C[C@@H]1COC2(CCC2)CN1c1ccnc2cc(F)ccc21 ZINC000664279870 1122190694 /nfs/dbraw/zinc/19/06/94/1122190694.db2.gz ZIVWLIGUAIQQKE-GFCCVEGCSA-N 0 1 286.350 3.522 20 0 CHADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000263518450 1129037415 /nfs/dbraw/zinc/03/74/15/1129037415.db2.gz PUTQYWRCYSHYAL-DZGCQCFKSA-N 0 1 289.419 3.669 20 0 CHADMN CN(Cc1coc(-c2c(F)cccc2F)n1)CC1CCC1 ZINC000153456391 1129037523 /nfs/dbraw/zinc/03/75/23/1129037523.db2.gz BBCLICWAOXTDGK-UHFFFAOYSA-N 0 1 292.329 3.852 20 0 CHADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCCC1CCCCC1 ZINC000263523103 1129037778 /nfs/dbraw/zinc/03/77/78/1129037778.db2.gz RYKSGFRVCDTRNX-DZGCQCFKSA-N 0 1 267.413 3.532 20 0 CHADMN COc1cc(F)cc(CN2CC(Cc3ccc(C)cc3)C2)c1 ZINC001182930061 1122198471 /nfs/dbraw/zinc/19/84/71/1122198471.db2.gz VLCYOQNITNTJHB-UHFFFAOYSA-N 0 1 299.389 3.817 20 0 CHADMN COCC[C@@H](N[C@H](C)c1cccc(F)c1)c1ccco1 ZINC000272427060 1122202781 /nfs/dbraw/zinc/20/27/81/1122202781.db2.gz IXZOKLMHCMUHMS-IUODEOHRSA-N 0 1 277.339 3.847 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H](C)c1cccc(F)c1 ZINC000272489534 1122203825 /nfs/dbraw/zinc/20/38/25/1122203825.db2.gz SUXVUAHANLQWDH-SSDOTTSWSA-N 0 1 297.280 3.537 20 0 CHADMN COCC[C@@H](NCc1ccc(C)c(F)c1)c1ccco1 ZINC000272625018 1122207406 /nfs/dbraw/zinc/20/74/06/1122207406.db2.gz WVQVFYLJKBUNDJ-OAHLLOKOSA-N 0 1 277.339 3.595 20 0 CHADMN C/C=C/C[C@H]1CCCN(Cc2c(Cl)n[nH]c2CC)C1 ZINC001183171500 1122208889 /nfs/dbraw/zinc/20/88/89/1122208889.db2.gz VMQFVTSMACUXBW-PYEVWLCESA-N 0 1 281.831 3.804 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@H](C3CCC3)C2)[nH]1 ZINC000620204523 1129039128 /nfs/dbraw/zinc/03/91/28/1129039128.db2.gz OBNPZQCMZRHPOY-AWEZNQCLSA-N 0 1 297.402 3.524 20 0 CHADMN CC[C@H]1[C@@H](C)CCN1Cn1ccn(C(C)C)c1=S ZINC000774619717 1122220007 /nfs/dbraw/zinc/22/00/07/1122220007.db2.gz RCIUFINUNKHSDD-STQMWFEESA-N 0 1 267.442 3.678 20 0 CHADMN COc1ccnc(CN[C@H](c2ccccc2C)C2CC2)c1 ZINC000273145529 1122221344 /nfs/dbraw/zinc/22/13/44/1122221344.db2.gz KVOODYCTQRPUQL-SFHVURJKSA-N 0 1 282.387 3.640 20 0 CHADMN COc1cc(C)c([C@@H](C)NCc2ccco2)cc1C ZINC000273135592 1122221399 /nfs/dbraw/zinc/22/13/99/1122221399.db2.gz CQOFGEGPHAOYPC-CYBMUJFWSA-N 0 1 259.349 3.756 20 0 CHADMN CC(C)(C(=O)Nc1cccc(Cl)c1O)[C@H]1CCCCO1 ZINC000632142717 1129039663 /nfs/dbraw/zinc/03/96/63/1129039663.db2.gz HTUYQGKHTQYMGL-GFCCVEGCSA-N 0 1 297.782 3.579 20 0 CHADMN Fc1cccc(Cl)c1CCCN1CCC(F)CC1 ZINC001183520473 1122226588 /nfs/dbraw/zinc/22/65/88/1122226588.db2.gz NBQDKRKOVBAROQ-UHFFFAOYSA-N 0 1 273.754 3.846 20 0 CHADMN COc1ncc(CN[C@H](C)c2cc(C)oc2C)cc1Cl ZINC000273321901 1122227946 /nfs/dbraw/zinc/22/79/46/1122227946.db2.gz RCJJXJLGVJLWJH-SNVBAGLBSA-N 0 1 294.782 3.804 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1coc2ccccc12 ZINC000924949447 1122229270 /nfs/dbraw/zinc/22/92/70/1122229270.db2.gz LFCGEKCXNBCDLI-NWDGAFQWSA-N 0 1 283.375 3.887 20 0 CHADMN Cc1cc(C[C@@H](C)N[C@H](c2ccccc2)C(F)(F)F)[nH]n1 ZINC000273331970 1122229537 /nfs/dbraw/zinc/22/95/37/1122229537.db2.gz JWPNAWNAGSWBAG-QMTHXVAHSA-N 0 1 297.324 3.542 20 0 CHADMN O=C(Nc1ccc(Cl)cc1O)c1ccc(O)c(Cl)c1 ZINC000153506726 1129040757 /nfs/dbraw/zinc/04/07/57/1129040757.db2.gz XPFFVEMDOCUVTG-UHFFFAOYSA-N 0 1 298.125 3.657 20 0 CHADMN Cc1cc(C)c(/C=C/C[N@H+]2CCO[C@H](C)CC2)c(C)c1 ZINC001183919477 1122248191 /nfs/dbraw/zinc/24/81/91/1122248191.db2.gz LNJWFZNLJQVBIS-FUTAKVPZSA-N 0 1 273.420 3.736 20 0 CHADMN [O-]c1cc(F)c(CC[NH2+]C2CCCCCCC2)c(F)c1 ZINC001183971342 1122249644 /nfs/dbraw/zinc/24/96/44/1122249644.db2.gz FZWHRMQXYRTJBT-UHFFFAOYSA-N 0 1 283.362 3.915 20 0 CHADMN C[C@@H]1C[C@@H]1N[C@@H](c1cc2ccccc2o1)c1ccccn1 ZINC000924952571 1122254770 /nfs/dbraw/zinc/25/47/70/1122254770.db2.gz XGRWRHCFPRMUJH-HNJNHCNJSA-N 0 1 278.355 3.915 20 0 CHADMN CC[C@]1(C)COCCN1C/C(C)=C/c1ccccc1 ZINC000503560429 1122267087 /nfs/dbraw/zinc/26/70/87/1122267087.db2.gz WFJFBDZVMMDYDZ-OKACTXMXSA-N 0 1 259.393 3.591 20 0 CHADMN Cc1nccc(N2CC[C@@H](C(F)(F)F)[C@@H]2C)c1Cl ZINC000503581686 1122268965 /nfs/dbraw/zinc/26/89/65/1122268965.db2.gz QDWLJBMDEJKIMF-DTWKUNHWSA-N 0 1 278.705 3.821 20 0 CHADMN Fc1cccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000503655914 1122272621 /nfs/dbraw/zinc/27/26/21/1122272621.db2.gz WTLFZLABYPOCMF-AWEZNQCLSA-N 0 1 273.326 3.954 20 0 CHADMN Cc1noc([C@@H](N[C@H](C)Cc2cccc(C)c2)C(C)C)n1 ZINC001184439947 1122274641 /nfs/dbraw/zinc/27/46/41/1122274641.db2.gz QPDKGIOVWSINDB-CJNGLKHVSA-N 0 1 287.407 3.604 20 0 CHADMN CCc1nc(C)c(CN[C@H](C)c2cccc(C)c2)o1 ZINC000291971948 1122288905 /nfs/dbraw/zinc/28/89/05/1122288905.db2.gz UBCKGDHLJJPWIW-GFCCVEGCSA-N 0 1 258.365 3.705 20 0 CHADMN CC(C)C(N)=NO[C@@H](C)CCSc1ccccc1 ZINC000774779585 1122295822 /nfs/dbraw/zinc/29/58/22/1122295822.db2.gz VOWJOEDQOUMLHW-LBPRGKRZSA-N 0 1 266.410 3.712 20 0 CHADMN Cc1ccc(F)c(NC(=O)Nc2ncc(Cl)cc2O)c1 ZINC001185229479 1122328576 /nfs/dbraw/zinc/32/85/76/1122328576.db2.gz QRSQMNVONPYENK-UHFFFAOYSA-N 0 1 295.701 3.532 20 0 CHADMN C[C@@H](NC[C@H]1CC1(Cl)Cl)c1c(F)cccc1F ZINC000774870212 1122337947 /nfs/dbraw/zinc/33/79/47/1122337947.db2.gz XSBXASYWPGCZBU-HTQZYQBOSA-N 0 1 280.145 3.809 20 0 CHADMN Fc1ccc([C@H]2CCCN2C[C@@H]2CCC=CO2)cc1F ZINC000774887326 1122345768 /nfs/dbraw/zinc/34/57/68/1122345768.db2.gz KWECTBWTFDDCDI-XJKSGUPXSA-N 0 1 279.330 3.794 20 0 CHADMN Cc1nc2ccc(NC(=O)c3nc(C(C)C)oc3C)cc2[nH]1 ZINC000505228556 1122349550 /nfs/dbraw/zinc/34/95/50/1122349550.db2.gz ALDHHIBFHIATSS-UHFFFAOYSA-N 0 1 298.346 3.543 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN1CCc2ccccc2C1 ZINC000505249452 1122352433 /nfs/dbraw/zinc/35/24/33/1122352433.db2.gz PNQBVJCKASVZAE-UHFFFAOYSA-N 0 1 297.446 3.813 20 0 CHADMN Cc1ccn(C2CCN(Cc3ccc(Cl)s3)CC2)n1 ZINC000434509845 1122374043 /nfs/dbraw/zinc/37/40/43/1122374043.db2.gz UFVMUTNVTYGTHX-UHFFFAOYSA-N 0 1 295.839 3.744 20 0 CHADMN CN(CCOc1ccccc1)Cc1ccccc1Cl ZINC000058875619 1122385871 /nfs/dbraw/zinc/38/58/71/1122385871.db2.gz DPKDMCODTBALQY-UHFFFAOYSA-N 0 1 275.779 3.851 20 0 CHADMN Fc1cc(CCN2CCCCC2)cc(F)c1Cl ZINC001250242481 1122393853 /nfs/dbraw/zinc/39/38/53/1122393853.db2.gz ZTFMBYZGBAYAES-UHFFFAOYSA-N 0 1 259.727 3.647 20 0 CHADMN C[C@H](NCCF)c1cc2cc(Br)ccc2o1 ZINC000281215424 1122396559 /nfs/dbraw/zinc/39/65/59/1122396559.db2.gz ZFGYRFQAQKTRNI-QMMMGPOBSA-N 0 1 286.144 3.815 20 0 CHADMN CCCCCC[C@](C)(CC)C(=O)NCc1cn[nH]c1C ZINC000079754053 1129051769 /nfs/dbraw/zinc/05/17/69/1129051769.db2.gz GVZCLQWZAOZBRW-INIZCTEOSA-N 0 1 279.428 3.721 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc2c(c1)CCCC2 ZINC000430083000 1122400270 /nfs/dbraw/zinc/40/02/70/1122400270.db2.gz UWOXHFKTCLTMGH-UHFFFAOYSA-N 0 1 266.388 3.592 20 0 CHADMN Cc1ccc([C@@]2(C)CCN(Cc3ccn(C(C)C)n3)C2)cc1 ZINC000434735130 1122401320 /nfs/dbraw/zinc/40/13/20/1122401320.db2.gz HRCKEYORPHSHFU-IBGZPJMESA-N 0 1 297.446 3.936 20 0 CHADMN Cc1ccc(CCCN2CC(C)(C)[C@H]2c2cccnc2)cn1 ZINC000430094625 1122403448 /nfs/dbraw/zinc/40/34/48/1122403448.db2.gz MZFMLUMNNPLBHO-GOSISDBHSA-N 0 1 295.430 3.801 20 0 CHADMN CCOC1(C)CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000430109301 1122405398 /nfs/dbraw/zinc/40/53/98/1122405398.db2.gz XKRFXIXSVGARMY-UHFFFAOYSA-N 0 1 294.464 3.802 20 0 CHADMN CCCNc1ccc(CNCc2ccc(C)cn2)cc1 ZINC000434757086 1122410147 /nfs/dbraw/zinc/41/01/47/1122410147.db2.gz OVHJIHXDLNQCNB-UHFFFAOYSA-N 0 1 269.392 3.502 20 0 CHADMN COc1ccc(Cl)cc1CN(C)CC=C(C)C ZINC000514396944 1122415238 /nfs/dbraw/zinc/41/52/38/1122415238.db2.gz WFPBAZHGUGPWNF-UHFFFAOYSA-N 0 1 253.773 3.747 20 0 CHADMN Cc1cnc(CN2CCC(CCc3ccccc3)CC2)cn1 ZINC000505582028 1122425125 /nfs/dbraw/zinc/42/51/25/1122425125.db2.gz OHIGPXZRUILDFO-UHFFFAOYSA-N 0 1 295.430 3.630 20 0 CHADMN COc1ccsc1CN(C)Cc1ccccc1C ZINC000505596662 1122432565 /nfs/dbraw/zinc/43/25/65/1122432565.db2.gz MHIBAEJMHKXYON-UHFFFAOYSA-N 0 1 261.390 3.697 20 0 CHADMN CCc1ccc(CN(C)Cc2ccccc2NC(C)=O)cc1 ZINC000505605750 1122435039 /nfs/dbraw/zinc/43/50/39/1122435039.db2.gz GWUXUZAJCBFNCN-UHFFFAOYSA-N 0 1 296.414 3.839 20 0 CHADMN CC[C@H]1CO[C@@H](C)CN1Cc1cc2ccccc2s1 ZINC000505608015 1122435092 /nfs/dbraw/zinc/43/50/92/1122435092.db2.gz GVYMJCXSDCLMNX-JSGCOSHPSA-N 0 1 275.417 3.901 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1C/C(C)=C/c1ccccc1 ZINC000505609697 1122436737 /nfs/dbraw/zinc/43/67/37/1122436737.db2.gz IXSRLZWIOLKOIV-SDIQTFFVSA-N 0 1 259.393 3.589 20 0 CHADMN CCc1ccc(CN(C)Cc2cnn3ccccc23)cc1 ZINC000505611293 1122437245 /nfs/dbraw/zinc/43/72/45/1122437245.db2.gz QZIYBGAGOHJUTL-UHFFFAOYSA-N 0 1 279.387 3.529 20 0 CHADMN CC[C@H]1CO[C@@H](C)CN1Cc1ccc(C(F)(F)F)cc1 ZINC000505630716 1122443844 /nfs/dbraw/zinc/44/38/44/1122443844.db2.gz DUUUSNZMMSOXFC-FZMZJTMJSA-N 0 1 287.325 3.705 20 0 CHADMN CC[C@H]1CO[C@@H](C)CN1Cc1c(C)oc2ccccc21 ZINC000505643282 1122448404 /nfs/dbraw/zinc/44/84/04/1122448404.db2.gz YYBDFIGWTFPYCN-JSGCOSHPSA-N 0 1 273.376 3.741 20 0 CHADMN Cc1ccc(C(C)(C)NCc2ccc(F)c(F)c2)cn1 ZINC000353199843 1122459369 /nfs/dbraw/zinc/45/93/69/1122459369.db2.gz WFOWCQLMYLNNEY-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN Cc1ccc(CN2CC[C@@H](COC(F)F)C2)cc1Cl ZINC000514869127 1122460699 /nfs/dbraw/zinc/46/06/99/1122460699.db2.gz UATHTNYSRSULTR-GFCCVEGCSA-N 0 1 289.753 3.710 20 0 CHADMN CCCCN(Cc1ccccc1)C(=O)c1cc(C2CC2)[nH]n1 ZINC001188391520 1122462653 /nfs/dbraw/zinc/46/26/53/1122462653.db2.gz CQVSOGJEZGJOPJ-UHFFFAOYSA-N 0 1 297.402 3.730 20 0 CHADMN Cc1ccc(CN2CCn3cccc3[C@@H]2C)c(C)c1 ZINC000505694121 1122465170 /nfs/dbraw/zinc/46/51/70/1122465170.db2.gz KPNACVLEINAQBT-HNNXBMFYSA-N 0 1 254.377 3.682 20 0 CHADMN Cc1nc2ccc(NC(=O)c3ccc(C(C)C)nc3)cc2[nH]1 ZINC000435425044 1122465283 /nfs/dbraw/zinc/46/52/83/1122465283.db2.gz BHPWYWPBCZYMID-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1ccc(C(F)F)nc1 ZINC000638117833 1122477303 /nfs/dbraw/zinc/47/73/03/1122477303.db2.gz YFOZRECGOKQRSD-GFCCVEGCSA-N 0 1 288.341 3.966 20 0 CHADMN F[C@@]1(c2ccccc2)CCN(Cc2cccs2)C1 ZINC000515154678 1122480469 /nfs/dbraw/zinc/48/04/69/1122480469.db2.gz OQNFMDNMSOQOIV-HNNXBMFYSA-N 0 1 261.365 3.819 20 0 CHADMN CSc1ccc2nc(-c3cnn(C(C)(C)C)c3)[nH]c2c1 ZINC000435681625 1122481169 /nfs/dbraw/zinc/48/11/69/1122481169.db2.gz BVGANLBHZOZWGK-UHFFFAOYSA-N 0 1 286.404 3.903 20 0 CHADMN COc1cccc([C@@H](C)SCc2n[nH]c(C(C)C)n2)c1 ZINC001188951879 1122481735 /nfs/dbraw/zinc/48/17/35/1122481735.db2.gz HGLVBDBQUXULPV-LLVKDONJSA-N 0 1 291.420 3.931 20 0 CHADMN CC(C)(C)c1cccc(C(=O)Nc2ccc3[nH]nnc3c2)c1 ZINC001188982357 1122483723 /nfs/dbraw/zinc/48/37/23/1122483723.db2.gz ADFCXJURBKFRDU-UHFFFAOYSA-N 0 1 294.358 3.508 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3c(C)cccc3C)cc(F)c12 ZINC001189056257 1122487570 /nfs/dbraw/zinc/48/75/70/1122487570.db2.gz HOXOQPVAODQEAC-UHFFFAOYSA-N 0 1 297.333 3.880 20 0 CHADMN Brc1cccc(Nc2ccc3cncn3c2)c1 ZINC001250327721 1122495810 /nfs/dbraw/zinc/49/58/10/1122495810.db2.gz BBGBQJUBNVPSDR-UHFFFAOYSA-N 0 1 288.148 3.840 20 0 CHADMN CC(C)c1cnc(CNCCSC(F)(F)F)s1 ZINC000183497834 1129059281 /nfs/dbraw/zinc/05/92/81/1129059281.db2.gz YZVBYGRPZNTFGZ-UHFFFAOYSA-N 0 1 284.372 3.609 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1ccc(C)cc1 ZINC000285394215 1122509087 /nfs/dbraw/zinc/50/90/87/1122509087.db2.gz DMEHESBEHWLUOR-UHFFFAOYSA-N 0 1 258.365 3.625 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc(C2CC2)no1)[C@@H]1CC2CCC1CC2 ZINC000515655884 1122519724 /nfs/dbraw/zinc/51/97/24/1122519724.db2.gz UKKDCLZFHYKJIJ-UJZIZYCTSA-N 0 1 289.423 3.812 20 0 CHADMN Cc1nccc(N2CC3(CCCC3)OC[C@H]2C)c1Cl ZINC000664531046 1122519755 /nfs/dbraw/zinc/51/97/55/1122519755.db2.gz KHWAZRSAHRUHFJ-LLVKDONJSA-N 0 1 280.799 3.581 20 0 CHADMN Fc1ccccc1CNCc1c[nH]nc1-c1ccsc1 ZINC000436267141 1122527690 /nfs/dbraw/zinc/52/76/90/1122527690.db2.gz CBFFYDVURPSQQD-UHFFFAOYSA-N 0 1 287.363 3.567 20 0 CHADMN COc1ccc(Cl)c(CN2CCC=C(C)C2)c1 ZINC000436268088 1122532058 /nfs/dbraw/zinc/53/20/58/1122532058.db2.gz SDTRWCWSZNKVKO-UHFFFAOYSA-N 0 1 251.757 3.501 20 0 CHADMN CC[C@](C)(NCc1cccc(OC)n1)c1ccccc1 ZINC000775386021 1122537274 /nfs/dbraw/zinc/53/72/74/1122537274.db2.gz BWDLCZMAIPUZGM-KRWDZBQOSA-N 0 1 270.376 3.505 20 0 CHADMN CC[C@@](C)(NCc1ccn(C(C)C)n1)c1ccccc1 ZINC000775393354 1122542317 /nfs/dbraw/zinc/54/23/17/1122542317.db2.gz HFARMQDJNWUMQG-QGZVFWFLSA-N 0 1 271.408 3.879 20 0 CHADMN COc1cccc(CN2CCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000505832407 1122553713 /nfs/dbraw/zinc/55/37/13/1122553713.db2.gz MYCOABYDRGALJF-QFQMRYFISA-N 0 1 294.398 3.768 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)CC(C)(C)CC)c1 ZINC000436647176 1122569112 /nfs/dbraw/zinc/56/91/12/1122569112.db2.gz PVNIBVYTVYVUBC-UHFFFAOYSA-N 0 1 277.364 3.750 20 0 CHADMN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000505864042 1122574260 /nfs/dbraw/zinc/57/42/60/1122574260.db2.gz IWCJLLOIXFYBMJ-RDBSUJKOSA-N 0 1 297.402 3.583 20 0 CHADMN CCC(CC)NC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436757889 1122578538 /nfs/dbraw/zinc/57/85/38/1122578538.db2.gz VZRAEEVDHXCGMH-UHFFFAOYSA-N 0 1 276.163 3.617 20 0 CHADMN COCCN(Cc1cc(C(C)(C)C)on1)[C@@H]1CC[C@H](C)C1 ZINC000516216795 1122579769 /nfs/dbraw/zinc/57/97/69/1122579769.db2.gz SOPNVDBIOGLCPH-DZGCQCFKSA-N 0 1 294.439 3.609 20 0 CHADMN CO[C@]1(C)C[C@H](N(C)Cc2cc(F)ccc2F)C1(C)C ZINC001191202651 1122582014 /nfs/dbraw/zinc/58/20/14/1122582014.db2.gz HWDHGIXYCZIKLM-GOEBONIOSA-N 0 1 283.362 3.600 20 0 CHADMN Cc1cccc2nc(-c3ccc(O)c(Cl)c3)[nH]c(=O)c12 ZINC000436871456 1122589760 /nfs/dbraw/zinc/58/97/60/1122589760.db2.gz SZTYDGCFMFVRJI-UHFFFAOYSA-N 0 1 286.718 3.670 20 0 CHADMN Fc1ccccc1C1(NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000775452014 1122592837 /nfs/dbraw/zinc/59/28/37/1122592837.db2.gz PJGUBIZAZCNNMN-VIFPVBQESA-N 0 1 274.166 3.598 20 0 CHADMN Fc1cccc(F)c1CCN1CC[C@@H]1c1ccccc1 ZINC001191391368 1122595287 /nfs/dbraw/zinc/59/52/87/1122595287.db2.gz XJCNQHDPSOUEHI-QGZVFWFLSA-N 0 1 273.326 3.954 20 0 CHADMN CC1(C)CCN(C(=O)c2c(O)cccc2F)c2ccccc21 ZINC000436940424 1122598292 /nfs/dbraw/zinc/59/82/92/1122598292.db2.gz WZTIWZDNGOLWGW-UHFFFAOYSA-N 0 1 299.345 3.859 20 0 CHADMN CCN(Cc1ccccc1)Cc1cccc2c1OCCCO2 ZINC000505911145 1122599971 /nfs/dbraw/zinc/59/99/71/1122599971.db2.gz ASXZHALUOVAKBQ-UHFFFAOYSA-N 0 1 297.398 3.870 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccsc1)c1cccc(F)c1 ZINC000437024975 1122603490 /nfs/dbraw/zinc/60/34/90/1122603490.db2.gz CVEOKEADHULODC-HUUCEWRRSA-N 0 1 279.380 3.662 20 0 CHADMN Cc1ccc(C)c(CN2CCC(=O)[C@H]3CCCC[C@@H]32)c1 ZINC001203741951 1122609249 /nfs/dbraw/zinc/60/92/49/1122609249.db2.gz XDXGTJNSQLDIBB-IRXDYDNUSA-N 0 1 271.404 3.637 20 0 CHADMN Cc1ccc(C)c(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)c1 ZINC001203741965 1122609654 /nfs/dbraw/zinc/60/96/54/1122609654.db2.gz XDXGTJNSQLDIBB-SJORKVTESA-N 0 1 271.404 3.637 20 0 CHADMN O=C(c1cccc2[nH]cnc21)N1CCCC[C@H]1CC1CCC1 ZINC000620569669 1129065969 /nfs/dbraw/zinc/06/59/69/1129065969.db2.gz ZUPIMOMKTIJVJI-AWEZNQCLSA-N 0 1 297.402 3.748 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H](C)c1ccc2c(c1)COC2 ZINC000437102067 1122614778 /nfs/dbraw/zinc/61/47/78/1122614778.db2.gz VQFIECQJJMLLNN-STQMWFEESA-N 0 1 298.386 3.532 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N1CCCC[C@H]1CC1CCC1 ZINC000620573845 1129066346 /nfs/dbraw/zinc/06/63/46/1129066346.db2.gz SZMJNPYEGZZHMO-AWEZNQCLSA-N 0 1 297.402 3.748 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N1CCCC[C@@H]1CC1CCC1 ZINC000620573846 1129066362 /nfs/dbraw/zinc/06/63/62/1129066362.db2.gz SZMJNPYEGZZHMO-CQSZACIVSA-N 0 1 297.402 3.748 20 0 CHADMN CC(C)c1nc(CN(c2ccc(Cl)cc2)C(C)C)n[nH]1 ZINC001191882963 1122620603 /nfs/dbraw/zinc/62/06/03/1122620603.db2.gz ZDXHQRBZJHUAHR-UHFFFAOYSA-N 0 1 292.814 3.997 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CCCC[C@@H]1CC1CCC1 ZINC000620573900 1129066765 /nfs/dbraw/zinc/06/67/65/1129066765.db2.gz UTYSXGMLRNRYKE-OAHLLOKOSA-N 0 1 297.402 3.748 20 0 CHADMN CC1=CCCN(Cc2cnc(C(C)(C)C)s2)C1 ZINC000437340620 1122628408 /nfs/dbraw/zinc/62/84/08/1122628408.db2.gz FKUJWAAQWPOHPR-UHFFFAOYSA-N 0 1 250.411 3.593 20 0 CHADMN Cc1ccc(NC(=O)CN(C)[C@H](C)C2(C)CC2)cc1Cl ZINC000437544658 1122640288 /nfs/dbraw/zinc/64/02/88/1122640288.db2.gz IQZIODDHFOWMCR-GFCCVEGCSA-N 0 1 294.826 3.707 20 0 CHADMN C[C@@H](c1ccco1)N(C)Cc1c[nH]nc1-c1ccsc1 ZINC000437575810 1122641016 /nfs/dbraw/zinc/64/10/16/1122641016.db2.gz GSUVNMFXTSEBAQ-NSHDSACASA-N 0 1 287.388 3.924 20 0 CHADMN CCC(CC)n1ccc(CN2CCC[C@@H](CC)C2)n1 ZINC000437581163 1122643402 /nfs/dbraw/zinc/64/34/02/1122643402.db2.gz VKKJQEYRZHGLMQ-CQSZACIVSA-N 0 1 263.429 3.866 20 0 CHADMN CC[C@@H]1C[C@H]1C[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC001192411795 1122645458 /nfs/dbraw/zinc/64/54/58/1122645458.db2.gz AJOJKFOEKXLZFB-HIFRSBDPSA-N 0 1 269.392 3.555 20 0 CHADMN CC[C@@H]1C[C@H]1CN(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC001192411795 1122645459 /nfs/dbraw/zinc/64/54/59/1122645459.db2.gz AJOJKFOEKXLZFB-HIFRSBDPSA-N 0 1 269.392 3.555 20 0 CHADMN Cn1cncc1Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC001192524909 1122650787 /nfs/dbraw/zinc/65/07/87/1122650787.db2.gz VPRQLMCUWUHZLZ-UHFFFAOYSA-N 0 1 275.661 3.836 20 0 CHADMN c1ccc2[nH]c(CN3CCC[C@H]4CCCC[C@H]43)nc2c1 ZINC000506112091 1122651106 /nfs/dbraw/zinc/65/11/06/1122651106.db2.gz IXZJYNPAOPUXPZ-CZUORRHYSA-N 0 1 269.392 3.718 20 0 CHADMN CC(C)[C@@H]1CN(Cc2cccc(C(C)(C)C)c2)CCO1 ZINC001192546611 1122651186 /nfs/dbraw/zinc/65/11/86/1122651186.db2.gz NCNMNFGPKOQNJS-KRWDZBQOSA-N 0 1 275.436 3.841 20 0 CHADMN C[C@@H](c1ccc2c(c1)CCC2)N1CC[C@@H](C)[C@@H](F)C1 ZINC001192545776 1122651954 /nfs/dbraw/zinc/65/19/54/1122651954.db2.gz GXCSJGYDSQWKJW-IGCXYCKISA-N 0 1 261.384 3.916 20 0 CHADMN CN(CCOc1ccc(F)cc1)Cc1ccc(Cl)o1 ZINC000506153582 1122660611 /nfs/dbraw/zinc/66/06/11/1122660611.db2.gz QYKQCDQNUHWNDX-UHFFFAOYSA-N 0 1 283.730 3.583 20 0 CHADMN CC(=O)CN[C@H](CC1CCCCC1)c1ccccc1 ZINC001192910435 1122662131 /nfs/dbraw/zinc/66/21/31/1122662131.db2.gz TYBNDSGNZRWOMT-QGZVFWFLSA-N 0 1 259.393 3.877 20 0 CHADMN CC[C@@]1(C)COCCN1C[C@@H]1CCC2(CCCCCC2)O1 ZINC001192928182 1122665944 /nfs/dbraw/zinc/66/59/44/1122665944.db2.gz GZGJTSMXPPWLHP-IRXDYDNUSA-N 0 1 295.467 3.759 20 0 CHADMN CC[C@@]1(C)COCCN1Cc1ccc2nc(C)ccc2c1 ZINC000437968195 1122666662 /nfs/dbraw/zinc/66/66/62/1122666662.db2.gz CKZIVIHRXFTDMS-SFHVURJKSA-N 0 1 284.403 3.544 20 0 CHADMN CCOC(=O)CN(C[C@@H](C)CC)[C@@H](C)c1ccccc1 ZINC001192966845 1122668199 /nfs/dbraw/zinc/66/81/99/1122668199.db2.gz YIVSRALGVDCXLD-GJZGRUSLSA-N 0 1 277.408 3.659 20 0 CHADMN CCC(CC)n1ccc(CN2CCC[C@@H](C)[C@H]2C)n1 ZINC000438062961 1122673915 /nfs/dbraw/zinc/67/39/15/1122673915.db2.gz XVBWEFVCLWVECM-ZIAGYGMSSA-N 0 1 263.429 3.865 20 0 CHADMN CCCc1csc(CN(CC(C)C)C2CC2)n1 ZINC000426070604 1122713223 /nfs/dbraw/zinc/71/32/23/1122713223.db2.gz DHXWWNACGPBIOQ-UHFFFAOYSA-N 0 1 252.427 3.716 20 0 CHADMN C[C@@H](CN1CCO[C@H](c2ccco2)C1)c1ccc(F)cc1 ZINC000438104165 1122678469 /nfs/dbraw/zinc/67/84/69/1122678469.db2.gz JXPGVRDLSOOSBZ-GUYCJALGSA-N 0 1 289.350 3.596 20 0 CHADMN Fc1cc(Cl)ccc1CN1CCC[C@]2(CCCOC2)C1 ZINC000438121897 1122682715 /nfs/dbraw/zinc/68/27/15/1122682715.db2.gz PSPPOVZELVYUNV-INIZCTEOSA-N 0 1 297.801 3.872 20 0 CHADMN CCc1nnc(CN(C)[C@H]2CCCC[C@H]2CC)s1 ZINC001193462370 1122691723 /nfs/dbraw/zinc/69/17/23/1122691723.db2.gz VFEZBJQHQNKRFV-NEPJUHHUSA-N 0 1 267.442 3.501 20 0 CHADMN CC1(C)CN(Cc2c(Cl)oc3ccccc32)CC[C@@H]1O ZINC000438336192 1122692423 /nfs/dbraw/zinc/69/24/23/1122692423.db2.gz JZFOHYDNMFVENY-AWEZNQCLSA-N 0 1 293.794 3.679 20 0 CHADMN Cc1cccc(C[N@H+](C)Cc2ccccc2N(C)C)c1 ZINC000506232047 1122698728 /nfs/dbraw/zinc/69/87/28/1122698728.db2.gz JJXHCPZRNRGURN-UHFFFAOYSA-N 0 1 268.404 3.693 20 0 CHADMN O=C(Nc1ccsc1Cl)c1cc(-c2ccco2)n[nH]1 ZINC000438560396 1122710666 /nfs/dbraw/zinc/71/06/66/1122710666.db2.gz FUEXZTBFUDRCBJ-UHFFFAOYSA-N 0 1 293.735 3.637 20 0 CHADMN CC(C)CCC[C@H](C)NC(=O)c1cccc2nc[nH]c21 ZINC000438574240 1122711206 /nfs/dbraw/zinc/71/12/06/1122711206.db2.gz SHBVTERBRACBIK-LBPRGKRZSA-N 0 1 273.380 3.508 20 0 CHADMN Cc1nc2ccccn2c1CN(C)[C@H](C)c1ccc(F)cc1 ZINC000506293820 1122713830 /nfs/dbraw/zinc/71/38/30/1122713830.db2.gz HHWFPUZADMCXIW-CQSZACIVSA-N 0 1 297.377 3.975 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCCC2(CCCC2)C1 ZINC000438680888 1122717904 /nfs/dbraw/zinc/71/79/04/1122717904.db2.gz OOAVOBWWFQXGHT-UHFFFAOYSA-N 0 1 289.423 3.638 20 0 CHADMN CC[N@H+](Cc1cc(C(=O)OC)ccc1Cl)CC1CCC1 ZINC001193763175 1122718631 /nfs/dbraw/zinc/71/86/31/1122718631.db2.gz VYYWEENXAMYICP-UHFFFAOYSA-N 0 1 295.810 3.749 20 0 CHADMN CN(Cc1nccn1Cc1ccccc1)CC1CCCCC1 ZINC000506326320 1122718587 /nfs/dbraw/zinc/71/85/87/1122718587.db2.gz LEAWVKSKDNQPSW-UHFFFAOYSA-N 0 1 297.446 3.944 20 0 CHADMN CSc1ccc(OCC[N@@H+](C)CCC(F)(F)F)cc1 ZINC000438784843 1122724580 /nfs/dbraw/zinc/72/45/80/1122724580.db2.gz LEIRKIFZHNTNFW-UHFFFAOYSA-N 0 1 293.354 3.672 20 0 CHADMN CSc1ccc(OCCN(C)CCC(F)(F)F)cc1 ZINC000438784843 1122724582 /nfs/dbraw/zinc/72/45/82/1122724582.db2.gz LEIRKIFZHNTNFW-UHFFFAOYSA-N 0 1 293.354 3.672 20 0 CHADMN C[C@H](O)CC[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000438993934 1122745851 /nfs/dbraw/zinc/74/58/51/1122745851.db2.gz XNWJKWOHIDZFPW-IINYFYTJSA-N 0 1 288.218 3.901 20 0 CHADMN C[C@H](O)CCN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000438993934 1122745854 /nfs/dbraw/zinc/74/58/54/1122745854.db2.gz XNWJKWOHIDZFPW-IINYFYTJSA-N 0 1 288.218 3.901 20 0 CHADMN COc1ccc2nc(SC[C@@H](C)C(F)(F)F)[nH]c2c1 ZINC000439052930 1122750734 /nfs/dbraw/zinc/75/07/34/1122750734.db2.gz VXTLVYHDSKYISX-SSDOTTSWSA-N 0 1 290.310 3.862 20 0 CHADMN COc1ccc([C@H](N[C@@H]2C[C@H](C)n3ccnc32)C2CC2)cc1 ZINC000295809482 1122756280 /nfs/dbraw/zinc/75/62/80/1122756280.db2.gz CPRXKGAUSQRBJQ-JCURWCKSSA-N 0 1 297.402 3.638 20 0 CHADMN Cc1nnsc1CN[C@@H](CC1CCC1)c1ccccc1 ZINC000426319288 1122761209 /nfs/dbraw/zinc/76/12/09/1122761209.db2.gz PGEMCPUGTFLTIJ-HNNXBMFYSA-N 0 1 287.432 3.868 20 0 CHADMN CCc1nc(C)c(CN[C@H]2CCc3c2cccc3C)o1 ZINC000426326609 1122764243 /nfs/dbraw/zinc/76/42/43/1122764243.db2.gz YPPDIUDKOIASHL-HNNXBMFYSA-N 0 1 270.376 3.631 20 0 CHADMN CC[C@@]1(CO)CCCN1Cc1c(Cl)cccc1Cl ZINC000439272855 1122767112 /nfs/dbraw/zinc/76/71/12/1122767112.db2.gz LMRAQLAQUDJPCH-AWEZNQCLSA-N 0 1 288.218 3.730 20 0 CHADMN Cc1cnc(CN2CC[C@H](c3ccccc3)C[C@H]2C)nc1 ZINC000439314676 1122769939 /nfs/dbraw/zinc/76/99/39/1122769939.db2.gz HEFKSJPTLGRPSQ-WBVHZDCISA-N 0 1 281.403 3.553 20 0 CHADMN Cc1ccnc(CN2CC[C@H](c3ccccc3)C[C@@H]2C)n1 ZINC000439334837 1122770432 /nfs/dbraw/zinc/77/04/32/1122770432.db2.gz YMDCHJFMHKIWCN-RDJZCZTQSA-N 0 1 281.403 3.553 20 0 CHADMN CCN(Cc1nc2cccc(C)c2[nH]1)C(=O)OC(C)(C)C ZINC001250572269 1122776898 /nfs/dbraw/zinc/77/68/98/1122776898.db2.gz OFFRMCLEFYBNEN-UHFFFAOYSA-N 0 1 289.379 3.628 20 0 CHADMN CCCc1csc(CN(C)[C@@H](C)C2(C)CC2)n1 ZINC000426394032 1122782173 /nfs/dbraw/zinc/78/21/73/1122782173.db2.gz CBGKOBQPVDTJQE-NSHDSACASA-N 0 1 252.427 3.716 20 0 CHADMN CCCN1Cc2cccc(NC(=O)c3[nH]c(C)cc3C)c2C1 ZINC000153804741 1129077739 /nfs/dbraw/zinc/07/77/39/1129077739.db2.gz OYBFQAKIQHPWBF-UHFFFAOYSA-N 0 1 297.402 3.609 20 0 CHADMN Cc1ccc(-c2ncc(CN(C)C3CC3)s2)cc1 ZINC000153800379 1129077945 /nfs/dbraw/zinc/07/79/45/1129077945.db2.gz JHDPIMGHNRGOMD-UHFFFAOYSA-N 0 1 258.390 3.713 20 0 CHADMN Cn1ccnc1[C@@H](NC(C)(C)c1cccc(F)c1)C1CC1 ZINC000638627114 1122788701 /nfs/dbraw/zinc/78/87/01/1122788701.db2.gz OPQGTQDWYUZXJZ-HNNXBMFYSA-N 0 1 287.382 3.535 20 0 CHADMN CC(C)(C)[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000544292046 1122791004 /nfs/dbraw/zinc/79/10/04/1122791004.db2.gz MIFLPJZFJCWTGG-CQSZACIVSA-N 0 1 297.402 3.585 20 0 CHADMN CCCc1csc(CN2C[C@H](C)CC[C@H]2C)n1 ZINC000426423549 1122791307 /nfs/dbraw/zinc/79/13/07/1122791307.db2.gz YQXZHMCIWKECJC-VXGBXAGGSA-N 0 1 252.427 3.716 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccc(Cl)o1)CC2 ZINC000518799292 1122793423 /nfs/dbraw/zinc/79/34/23/1122793423.db2.gz QJZZDPVGNHULBL-CYBMUJFWSA-N 0 1 265.715 3.849 20 0 CHADMN c1csc(-c2cc(CN3CC[C@H]4CCC[C@H]43)no2)c1 ZINC000426455998 1122798263 /nfs/dbraw/zinc/79/82/63/1122798263.db2.gz CIIGWBPKFUZVDA-DGCLKSJQSA-N 0 1 274.389 3.778 20 0 CHADMN CCc1nocc1CN[C@H](C)c1cccc(N2CCCC2)c1 ZINC000660203355 1129078973 /nfs/dbraw/zinc/07/89/73/1129078973.db2.gz SFSBWVIKHCLFCF-CQSZACIVSA-N 0 1 299.418 3.688 20 0 CHADMN CC[C@H](C)CN(C)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000073552299 1122807963 /nfs/dbraw/zinc/80/79/63/1122807963.db2.gz LEGUTEJBCCLZAM-AWEZNQCLSA-N 0 1 297.402 3.943 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1nc(C(C)(C)C)co1 ZINC001194873559 1122815472 /nfs/dbraw/zinc/81/54/72/1122815472.db2.gz IWZIJLCTPUTISF-GFCCVEGCSA-N 0 1 252.402 3.983 20 0 CHADMN CC(C)Cc1ncc(CN(C)[C@H]2CC2(C)C)s1 ZINC000426553853 1122820758 /nfs/dbraw/zinc/82/07/58/1122820758.db2.gz RVKALQWQZWPKCS-LBPRGKRZSA-N 0 1 252.427 3.572 20 0 CHADMN CN(Cc1c(C2CC2)nc2sccn12)[C@H]1CC1(C)C ZINC000426568297 1122825429 /nfs/dbraw/zinc/82/54/29/1122825429.db2.gz ZVIYCEKMOWJJPF-LBPRGKRZSA-N 0 1 275.421 3.504 20 0 CHADMN COC1CCC(c2nc3ccc(C)c(C)c3[nH]2)CC1 ZINC001250613164 1122828825 /nfs/dbraw/zinc/82/88/25/1122828825.db2.gz DIFZUCODRGDTQE-UHFFFAOYSA-N 0 1 258.365 3.852 20 0 CHADMN CCCn1ncnc1CN1CC[C@H](CC(C)(C)C)C1(C)C ZINC001195056127 1122836010 /nfs/dbraw/zinc/83/60/10/1122836010.db2.gz ZAIKQKSDDDLYIQ-CQSZACIVSA-N 0 1 292.471 3.725 20 0 CHADMN CC[C@H](CC(=O)N1CCN(C)CC12CCCCC2)C(C)C ZINC001126473186 1122838605 /nfs/dbraw/zinc/83/86/05/1122838605.db2.gz TXWAURPCUCTDDF-MRXNPFEDSA-N 0 1 294.483 3.536 20 0 CHADMN CC[C@@H](CC(=O)N1CCN(C)CC12CCCCC2)C(C)C ZINC001126473185 1122838690 /nfs/dbraw/zinc/83/86/90/1122838690.db2.gz TXWAURPCUCTDDF-INIZCTEOSA-N 0 1 294.483 3.536 20 0 CHADMN CC(C)c1nc2ccc(NCc3cnc[nH]3)cc2s1 ZINC000894401475 1122840223 /nfs/dbraw/zinc/84/02/23/1122840223.db2.gz CJLPFCIQUMDAEO-UHFFFAOYSA-N 0 1 272.377 3.755 20 0 CHADMN CC(C)(C)Cc1nc2cc(NCc3cnc[nH]3)ccc2o1 ZINC000894406163 1122843633 /nfs/dbraw/zinc/84/36/33/1122843633.db2.gz LMOBXTRCRUTJFX-UHFFFAOYSA-N 0 1 284.363 3.752 20 0 CHADMN c1ccc2ncc(CN3CCc4ccccc4C3)cc2c1 ZINC000164041796 1122847822 /nfs/dbraw/zinc/84/78/22/1122847822.db2.gz LFTOGSJUYPUQCR-UHFFFAOYSA-N 0 1 274.367 3.793 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1c1cccnc1 ZINC000894449457 1122853945 /nfs/dbraw/zinc/85/39/45/1122853945.db2.gz NOGYQPIPQSZUQC-GOSISDBHSA-N 0 1 298.434 3.813 20 0 CHADMN CC(C)(C)C[C@H]1CCN(Cc2cn(-c3ccccc3)nn2)C1 ZINC001195213554 1122855716 /nfs/dbraw/zinc/85/57/16/1122855716.db2.gz BHUZNLLHWFHAKN-OAHLLOKOSA-N 0 1 298.434 3.525 20 0 CHADMN C[C@H]1[C@@H](C)N(Cc2nccc(Cl)c2Cl)C[C@H]1C ZINC001195289228 1122861715 /nfs/dbraw/zinc/86/17/15/1122861715.db2.gz LDPCEESKPZCJRK-OPRDCNLKSA-N 0 1 273.207 3.865 20 0 CHADMN Cc1cnc(CCN2CC(C)(C)[C@@H]2c2cccnc2)c(C)c1 ZINC000664818871 1122861842 /nfs/dbraw/zinc/86/18/42/1122861842.db2.gz JZEGKEKMIIRDSR-SFHVURJKSA-N 0 1 295.430 3.719 20 0 CHADMN C[C@H]1Cc2cc(CN(Cc3cccnc3)C3CC3)ccc2O1 ZINC000894489704 1122862802 /nfs/dbraw/zinc/86/28/02/1122862802.db2.gz GBAJSXAZJUOQAD-AWEZNQCLSA-N 0 1 294.398 3.570 20 0 CHADMN CO[C@H](CC(C)C)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664822621 1122863026 /nfs/dbraw/zinc/86/30/26/1122863026.db2.gz WFKCHCVKCNWRFT-CVEARBPZSA-N 0 1 276.424 3.526 20 0 CHADMN CC1(C)CN(CCCOc2ccccc2)[C@@H]1c1cccnc1 ZINC000664826569 1122868562 /nfs/dbraw/zinc/86/85/62/1122868562.db2.gz UBPVPUKNDOANPA-GOSISDBHSA-N 0 1 296.414 3.934 20 0 CHADMN C[C@H](N)c1nc(-c2ccc(C(F)(F)F)cc2)cs1 ZINC000041162248 1122870206 /nfs/dbraw/zinc/87/02/06/1122870206.db2.gz QCKWGPHGEZFRPI-ZETCQYMHSA-N 0 1 272.295 3.849 20 0 CHADMN Cc1cscc1NC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000154154006 1129083430 /nfs/dbraw/zinc/08/34/30/1129083430.db2.gz BIXYPRYSFCAARC-UHFFFAOYSA-N 0 1 289.385 3.760 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(C)(C)C(C)(C)C)n[nH]1 ZINC000506850293 1122874288 /nfs/dbraw/zinc/87/42/88/1122874288.db2.gz FTMWKFUSYLOOLX-WDEREUQCSA-N 0 1 294.443 3.568 20 0 CHADMN COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)o1 ZINC000894568468 1122875092 /nfs/dbraw/zinc/87/50/92/1122875092.db2.gz FHRHJPODYDSADP-NEPJUHHUSA-N 0 1 291.313 3.841 20 0 CHADMN COc1ccc(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)o1 ZINC000894568468 1122875099 /nfs/dbraw/zinc/87/50/99/1122875099.db2.gz FHRHJPODYDSADP-NEPJUHHUSA-N 0 1 291.313 3.841 20 0 CHADMN C[C@]1(CO)CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC001203811794 1122878005 /nfs/dbraw/zinc/87/80/05/1122878005.db2.gz YAPZUOIIFJKMBK-IBGZPJMESA-N 0 1 297.398 3.683 20 0 CHADMN CC(C)(C)c1coc(CN(C2CCC2)C2CCC2)n1 ZINC000894591993 1122880001 /nfs/dbraw/zinc/88/00/01/1122880001.db2.gz JVAZAPIPGXLTNS-UHFFFAOYSA-N 0 1 262.397 3.879 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)C[C@H](O)CC1CCCC1 ZINC000473750342 1122884925 /nfs/dbraw/zinc/88/49/25/1122884925.db2.gz WVPVRGXKUYGMCK-SWLSCSKDSA-N 0 1 297.389 3.899 20 0 CHADMN CCN(C(=O)c1ccc(O)c(Cl)c1)c1ccc(F)cc1 ZINC000049632997 1122891484 /nfs/dbraw/zinc/89/14/84/1122891484.db2.gz NFGUFMMHYUFZBQ-UHFFFAOYSA-N 0 1 293.725 3.851 20 0 CHADMN CCN(CCC(=O)OC(C)(C)C)Cc1ccccc1Cl ZINC000065607698 1122892439 /nfs/dbraw/zinc/89/24/39/1122892439.db2.gz ZTNGVOVXSIGSGV-UHFFFAOYSA-N 0 1 297.826 3.894 20 0 CHADMN CC[C@@H](C(=O)OC(C)(C)C)N1CCC(C2CCC2)CC1 ZINC001195947368 1122899820 /nfs/dbraw/zinc/89/98/20/1122899820.db2.gz SXARDQSFGWDDIZ-HNNXBMFYSA-N 0 1 281.440 3.619 20 0 CHADMN CCn1cc([C@@H](C)NCc2cc(C(C)(C)C)oc2C)cn1 ZINC000894762204 1122903772 /nfs/dbraw/zinc/90/37/72/1122903772.db2.gz DZDVLCGYKGCYLD-GFCCVEGCSA-N 0 1 289.423 3.953 20 0 CHADMN C[C@@H](CCC(C)(C)C)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000506918701 1122912006 /nfs/dbraw/zinc/91/20/06/1122912006.db2.gz TZPUUTPNBACNLT-QMMMGPOBSA-N 0 1 291.317 3.829 20 0 CHADMN CC[C@H](c1ccc(F)cc1)[N@H+]1CCOC2(CCC2)C1 ZINC000154293523 1129086578 /nfs/dbraw/zinc/08/65/78/1129086578.db2.gz QWLMUHOCOBVGJU-OAHLLOKOSA-N 0 1 263.356 3.532 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N1CCOC2(CCC2)C1 ZINC000154293523 1129086583 /nfs/dbraw/zinc/08/65/83/1129086583.db2.gz QWLMUHOCOBVGJU-OAHLLOKOSA-N 0 1 263.356 3.532 20 0 CHADMN CC[C@](C)(CN[C@H](c1ccco1)c1ccccc1)OC ZINC000323075365 1122916651 /nfs/dbraw/zinc/91/66/51/1122916651.db2.gz XLXLPXYPTYCKID-DLBZAZTESA-N 0 1 273.376 3.774 20 0 CHADMN CC[C@@](C)(CN[C@@H](c1ccco1)c1ccccc1)OC ZINC000323075370 1122917184 /nfs/dbraw/zinc/91/71/84/1122917184.db2.gz XLXLPXYPTYCKID-SJORKVTESA-N 0 1 273.376 3.774 20 0 CHADMN CC[C@@](C)(CN[C@H](c1ccco1)c1ccccc1)OC ZINC000323075368 1122917342 /nfs/dbraw/zinc/91/73/42/1122917342.db2.gz XLXLPXYPTYCKID-IRXDYDNUSA-N 0 1 273.376 3.774 20 0 CHADMN CCc1nocc1CN1CCC[C@H]1c1ccc(F)cc1 ZINC000507077760 1122923275 /nfs/dbraw/zinc/92/32/75/1122923275.db2.gz NAMUDNHUDXXYQG-INIZCTEOSA-N 0 1 274.339 3.713 20 0 CHADMN CCN(Cc1cnc(N(C)C)s1)Cc1ccccc1C ZINC000507116607 1122926504 /nfs/dbraw/zinc/92/65/04/1122926504.db2.gz MLTKWIHHIXYHKT-UHFFFAOYSA-N 0 1 289.448 3.540 20 0 CHADMN C[C@@H](O)CCN(C)[C@@H](C)c1cc(Cl)ccc1Cl ZINC000154362161 1129087211 /nfs/dbraw/zinc/08/72/11/1129087211.db2.gz NETRALXBNPNIMM-ZJUUUORDSA-N 0 1 276.207 3.757 20 0 CHADMN COC[C@]1(C)CN([C@@H](C)c2ccc(C(C)C)cc2)CCO1 ZINC001196622686 1122928173 /nfs/dbraw/zinc/92/81/73/1122928173.db2.gz JYBXDTKQFFHLNP-YJBOKZPZSA-N 0 1 291.435 3.608 20 0 CHADMN CCc1nccnc1NC1=CC[C@H](C(F)(F)F)CC1 ZINC001196767805 1122931829 /nfs/dbraw/zinc/93/18/29/1122931829.db2.gz OEUJZVNCELZCKX-VIFPVBQESA-N 0 1 271.286 3.697 20 0 CHADMN CCC1(C)CCN(Cc2cccc(F)c2F)CC1 ZINC000507162226 1122932704 /nfs/dbraw/zinc/93/27/04/1122932704.db2.gz CETAGEIFQFVTEI-UHFFFAOYSA-N 0 1 253.336 3.977 20 0 CHADMN CC[C@H](C)CN(C)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000427004179 1122933814 /nfs/dbraw/zinc/93/38/14/1122933814.db2.gz FLXFSALHWGMUMQ-LBPRGKRZSA-N 0 1 299.418 3.812 20 0 CHADMN CC(C)CN1CCc2ccc(C(F)(F)F)cc2C1 ZINC001196852540 1122937323 /nfs/dbraw/zinc/93/73/23/1122937323.db2.gz YKWCHNSFUPTJJB-UHFFFAOYSA-N 0 1 257.299 3.720 20 0 CHADMN C[C@@H]1CCC[C@H]([N@@H+](C)Cc2c(F)ccc(O)c2F)C1 ZINC000507190038 1122937503 /nfs/dbraw/zinc/93/75/03/1122937503.db2.gz YAQOQORWWBOOGH-MNOVXSKESA-N 0 1 269.335 3.681 20 0 CHADMN Cc1noc2ncc(CN3CC4(CCC4)[C@@H]3C(C)C)cc12 ZINC000894832693 1122941620 /nfs/dbraw/zinc/94/16/20/1122941620.db2.gz HHUJUSFBLMTDIJ-HNNXBMFYSA-N 0 1 285.391 3.542 20 0 CHADMN CC(C)[C@H](C)N(C)Cc1csc(-c2ccco2)n1 ZINC000507254814 1122943898 /nfs/dbraw/zinc/94/38/98/1122943898.db2.gz XMMITYBAKFNUCV-NSHDSACASA-N 0 1 264.394 3.879 20 0 CHADMN Cc1c2[nH]c(-c3c(Cl)ccnc3F)nc2ccc1F ZINC001251165471 1122948539 /nfs/dbraw/zinc/94/85/39/1122948539.db2.gz LVQDDKFHBQZEND-UHFFFAOYSA-N 0 1 279.677 3.865 20 0 CHADMN C[C@@H](NCc1ccc(Cl)nc1)c1cc2cnccc2o1 ZINC001197231401 1122949463 /nfs/dbraw/zinc/94/94/63/1122949463.db2.gz XILUXLCXIJMVPA-SNVBAGLBSA-N 0 1 287.750 3.727 20 0 CHADMN CC(C)(C)CCN(CCc1ccccc1)Cc1ncc[nH]1 ZINC001197274910 1122950387 /nfs/dbraw/zinc/95/03/87/1122950387.db2.gz RUTJELVXMIVSOP-UHFFFAOYSA-N 0 1 285.435 3.891 20 0 CHADMN Fc1ccc(Cl)cc1CN1CCCC2(CCOCC2)C1 ZINC000353682380 1122955990 /nfs/dbraw/zinc/95/59/90/1122955990.db2.gz NSMHPLKJVIDUOZ-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN COc1cc(CN2CC[C@H](C)[C@H]2c2ccccc2)sn1 ZINC001197657206 1122963534 /nfs/dbraw/zinc/96/35/34/1122963534.db2.gz AAIOZRWTEKQSJL-LRDDRELGSA-N 0 1 288.416 3.735 20 0 CHADMN Cc1cc(CN2CCCC[C@@H]2c2ccc(C)cc2)nn1C ZINC000487382725 1122965479 /nfs/dbraw/zinc/96/54/79/1122965479.db2.gz WJYMFNAHTMIRPY-GOSISDBHSA-N 0 1 283.419 3.764 20 0 CHADMN COC(=O)C[C@@H]1C[N@H+]([C@H](C)c2ccc(Cl)cc2)C[C@H]1C ZINC001197854312 1122970147 /nfs/dbraw/zinc/97/01/47/1122970147.db2.gz PYLAKMVQAISHTO-YRGRVCCFSA-N 0 1 295.810 3.532 20 0 CHADMN CCCOc1ncccc1CN[C@@H]1CCc2ccccc21 ZINC000154694614 1129090521 /nfs/dbraw/zinc/09/05/21/1129090521.db2.gz VHPCZLBCQXQIAT-QGZVFWFLSA-N 0 1 282.387 3.648 20 0 CHADMN COc1cc(Nc2ccc(NC(=O)C(C)C)cc2)ncc1C ZINC001197961565 1122976860 /nfs/dbraw/zinc/97/68/60/1122976860.db2.gz CSOFRIMIPFRWFI-UHFFFAOYSA-N 0 1 299.374 3.737 20 0 CHADMN CN(CCC1CCCCC1)CC(=O)Nc1ccccc1 ZINC000507619859 1122977418 /nfs/dbraw/zinc/97/74/18/1122977418.db2.gz ZYLGBHDVKSUOJL-UHFFFAOYSA-N 0 1 274.408 3.527 20 0 CHADMN C[C@H](N[C@H]1CCc2ccc(F)cc21)c1ccncc1F ZINC000334276234 1122980562 /nfs/dbraw/zinc/98/05/62/1122980562.db2.gz RUUXVIWIMUJLHD-QFYYESIMSA-N 0 1 274.314 3.698 20 0 CHADMN CCC[C@H](C[N@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000519614136 1122981004 /nfs/dbraw/zinc/98/10/04/1122981004.db2.gz XCRNWFSETQZFSO-UAGQMJEPSA-N 0 1 289.419 3.613 20 0 CHADMN CCCOc1ncccc1CN[C@H]1c2ccccc2C[C@@H]1C ZINC000154700584 1129090898 /nfs/dbraw/zinc/09/08/98/1129090898.db2.gz BQWBLLCBMZRRCY-KBXCAEBGSA-N 0 1 296.414 3.894 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC(C)(C)[C@H](c3ccccc3)C2)[nH]1 ZINC001198202107 1122983087 /nfs/dbraw/zinc/98/30/87/1122983087.db2.gz JFDOQHVKDWFONW-CJNGLKHVSA-N 0 1 298.434 3.690 20 0 CHADMN CC(=O)N1CC[C@@H](N[C@H](C)c2ccc(C)o2)c2ccccc21 ZINC000334315062 1122985919 /nfs/dbraw/zinc/98/59/19/1122985919.db2.gz NAIUNPHFKAEEJW-CZUORRHYSA-N 0 1 298.386 3.737 20 0 CHADMN Cc1csc(-c2nc3ccc(Br)cc3[nH]2)n1 ZINC000154729612 1129091727 /nfs/dbraw/zinc/09/17/27/1129091727.db2.gz WRZOYWSCQZADCW-UHFFFAOYSA-N 0 1 294.177 3.757 20 0 CHADMN Cc1ccc(F)c(CN[C@@H]2CCOC23CCCCC3)c1F ZINC001198397377 1122992653 /nfs/dbraw/zinc/99/26/53/1122992653.db2.gz LLPPMDBVPFNWJT-OAHLLOKOSA-N 0 1 295.373 3.855 20 0 CHADMN Cc1ccccc1NC(=S)Nc1ncc(Cl)cc1O ZINC001198397894 1122992813 /nfs/dbraw/zinc/99/28/13/1122992813.db2.gz GSQMYKZAGJEZQL-UHFFFAOYSA-N 0 1 293.779 3.558 20 0 CHADMN Cc1cn[nH]c1C[NH+]1CCC(c2ccc3[nH]ccc3c2)CC1 ZINC001198448831 1122994062 /nfs/dbraw/zinc/99/40/62/1122994062.db2.gz CFIUSCNWVXHUMO-UHFFFAOYSA-N 0 1 294.402 3.579 20 0 CHADMN Cc1c[nH]nc1CN1CCC(c2ccc3[nH]ccc3c2)CC1 ZINC001198448831 1122994066 /nfs/dbraw/zinc/99/40/66/1122994066.db2.gz CFIUSCNWVXHUMO-UHFFFAOYSA-N 0 1 294.402 3.579 20 0 CHADMN COc1cccc(CN2CCCSC[C@H]2C)c1Cl ZINC001198516986 1122996866 /nfs/dbraw/zinc/99/68/66/1122996866.db2.gz HBJMXVCCWOHPRP-LLVKDONJSA-N 0 1 285.840 3.676 20 0 CHADMN C(NC1(C2CCCCC2)CC1)c1noc2c1CCCC2 ZINC001198542379 1122999145 /nfs/dbraw/zinc/99/91/45/1122999145.db2.gz QYBVBAQOKBRNBG-UHFFFAOYSA-N 0 1 274.408 3.756 20 0 CHADMN Cc1cccc2c1CCN(CCOc1ccccc1F)C2 ZINC000729477621 1123000198 /nfs/dbraw/zinc/00/01/98/1123000198.db2.gz LLPCUFOCFAVELR-UHFFFAOYSA-N 0 1 285.362 3.571 20 0 CHADMN CN(CCCCc1cccc(Cl)c1)Cc1ccn(C)n1 ZINC001198622217 1123004754 /nfs/dbraw/zinc/00/47/54/1123004754.db2.gz KRKWNTKOZKIURO-UHFFFAOYSA-N 0 1 291.826 3.528 20 0 CHADMN C[C@@H](N[C@@H]1CCC(C)(C)c2ccccc21)c1ccc(=O)[nH]n1 ZINC000334406618 1123008001 /nfs/dbraw/zinc/00/80/01/1123008001.db2.gz KCEGYQWAVSUILY-MLGOLLRUSA-N 0 1 297.402 3.646 20 0 CHADMN Cc1cccc2nc(NC(=O)c3ccc4c(c3)CCC4)[nH]c21 ZINC001198756858 1123010284 /nfs/dbraw/zinc/01/02/84/1123010284.db2.gz TZVASJADFPTMJG-UHFFFAOYSA-N 0 1 291.354 3.612 20 0 CHADMN CC[C@H](C)N(C)CC(=O)Nc1ccc2ccccc2c1 ZINC000104687622 1123012069 /nfs/dbraw/zinc/01/20/69/1123012069.db2.gz LJJVUZFEJSUWTG-ZDUSSCGKSA-N 0 1 270.376 3.509 20 0 CHADMN Cc1ccc([C@H]2CCCCN2C(=O)c2cnc(C3CC3)[nH]2)o1 ZINC000334437245 1123014294 /nfs/dbraw/zinc/01/42/94/1123014294.db2.gz HXWJIVHIGUEFRP-CQSZACIVSA-N 0 1 299.374 3.556 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2ccsc2C)on1 ZINC000334434335 1123015838 /nfs/dbraw/zinc/01/58/38/1123015838.db2.gz NPBGONMXVDFWLX-ZDUSSCGKSA-N 0 1 262.378 3.690 20 0 CHADMN CCC(CC)n1ccc(CN(C)[C@@H](C)CCSC)n1 ZINC000440621113 1123023885 /nfs/dbraw/zinc/02/38/85/1123023885.db2.gz XVSCIVFOGFDTPC-ZDUSSCGKSA-N 0 1 283.485 3.818 20 0 CHADMN Cc1cc(C(=O)CN(C(C)C)C2CCC2)c(C)n1C1CC1 ZINC000440663466 1123027125 /nfs/dbraw/zinc/02/71/25/1123027125.db2.gz NSTOJYZAHQALGZ-UHFFFAOYSA-N 0 1 288.435 3.885 20 0 CHADMN CC[C@@H](F)CN1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000440688904 1123028670 /nfs/dbraw/zinc/02/86/70/1123028670.db2.gz AIRRZMVWUSWCKK-KGLIPLIRSA-N 0 1 281.371 3.589 20 0 CHADMN CC[C@@H](F)CN1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000440711392 1123032870 /nfs/dbraw/zinc/03/28/70/1123032870.db2.gz JERZYTKFELNRRI-IUODEOHRSA-N 0 1 281.371 3.589 20 0 CHADMN C[C@H]1CCCCN(Cc2occc2Br)C1 ZINC000775995078 1123034431 /nfs/dbraw/zinc/03/44/31/1123034431.db2.gz ADNDLVOPVWCLJY-JTQLQIEISA-N 0 1 272.186 3.664 20 0 CHADMN CC(C)n1cccc1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000334473914 1123034932 /nfs/dbraw/zinc/03/49/32/1123034932.db2.gz LVAOHNOYIDKRFA-UHFFFAOYSA-N 0 1 296.729 3.819 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCCc3c[nH]nc32)cc(C)c1F ZINC000334472738 1123035412 /nfs/dbraw/zinc/03/54/12/1123035412.db2.gz IFFZCVLQGLXBJX-DOMZBBRYSA-N 0 1 287.382 3.894 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@@H]2c2cccc(OC)c2)[nH]1 ZINC001203246323 1123039095 /nfs/dbraw/zinc/03/90/95/1123039095.db2.gz FLLBCWMYDSZIRN-QGZVFWFLSA-N 0 1 299.418 3.626 20 0 CHADMN Cn1ccc(CNCc2ccc(Oc3ccccc3)nc2)c1 ZINC000343186053 1123044721 /nfs/dbraw/zinc/04/47/21/1123044721.db2.gz LGJIWIOTDCDGKM-UHFFFAOYSA-N 0 1 293.370 3.502 20 0 CHADMN CCOc1ccc2c(c1)CCN([C@H](C)c1cccnc1)C2 ZINC000441062911 1123054780 /nfs/dbraw/zinc/05/47/80/1123054780.db2.gz LPTDPBVAVULOTR-CQSZACIVSA-N 0 1 282.387 3.600 20 0 CHADMN CCCN(CC)Cc1csc(Cc2ccccc2)n1 ZINC000520168697 1123059487 /nfs/dbraw/zinc/05/94/87/1123059487.db2.gz PLYLBODWQBEFBR-UHFFFAOYSA-N 0 1 274.433 3.966 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)CC(C)(C)C)n[nH]2)cc1C ZINC000473897331 1123075655 /nfs/dbraw/zinc/07/56/55/1123075655.db2.gz PLEOWNYZNCQJOA-UHFFFAOYSA-N 0 1 299.418 3.812 20 0 CHADMN COC(=O)c1cccc(Cl)c1N=C1CCSCC1 ZINC001201341832 1123089590 /nfs/dbraw/zinc/08/95/90/1123089590.db2.gz FFBCUALZSKOWCO-UHFFFAOYSA-N 0 1 283.780 3.559 20 0 CHADMN Cc1oc2ccccc2c1CN1CCOC(C)(C)[C@H]1C ZINC000353903182 1123090870 /nfs/dbraw/zinc/09/08/70/1123090870.db2.gz VMKXMEQMIZFYLO-CYBMUJFWSA-N 0 1 273.376 3.741 20 0 CHADMN CC(C)(C)c1coc(CN2CC[C@H](C3CCC3)C2)n1 ZINC000894950093 1123092652 /nfs/dbraw/zinc/09/26/52/1123092652.db2.gz WHMFYERVEFLQNH-ZDUSSCGKSA-N 0 1 262.397 3.594 20 0 CHADMN COc1ccc(CNC/C=C/c2ccc(F)cc2)c(F)c1 ZINC001201408644 1123094181 /nfs/dbraw/zinc/09/41/81/1123094181.db2.gz WYRPCWGOGGJZSO-NSCUHMNNSA-N 0 1 289.325 3.776 20 0 CHADMN Fc1ccc([C@@H]2COCCN2C[C@@H]2CC=CCC2)cc1 ZINC001201427365 1123100135 /nfs/dbraw/zinc/10/01/35/1123100135.db2.gz LQRUBCSOYNSRTB-PBHICJAKSA-N 0 1 275.367 3.555 20 0 CHADMN Cc1cc(CN[C@H](C)c2cncnc2C)ccc1Cl ZINC000520428510 1123100173 /nfs/dbraw/zinc/10/01/73/1123100173.db2.gz WTZXEOWNJLVKLQ-LLVKDONJSA-N 0 1 275.783 3.598 20 0 CHADMN N=C(N)N(c1ccc(F)cc1)c1cncc2c(F)cccc21 ZINC001167994859 1123103097 /nfs/dbraw/zinc/10/30/97/1123103097.db2.gz QAJUXHJORLCTOR-UHFFFAOYSA-N 0 1 298.296 3.545 20 0 CHADMN CCCOc1ccc(Cl)cc1Nc1nccn1C ZINC001201441124 1123104964 /nfs/dbraw/zinc/10/49/64/1123104964.db2.gz AGWSFPRFRMMKRO-UHFFFAOYSA-N 0 1 265.744 3.606 20 0 CHADMN CC(C)=CCC[C@@H](C)CN1CC(Oc2cccnc2)C1 ZINC001201490565 1123109438 /nfs/dbraw/zinc/10/94/38/1123109438.db2.gz NDZMPSGNWHFWCJ-OAHLLOKOSA-N 0 1 274.408 3.527 20 0 CHADMN Cc1cc(CN[C@@H](C)c2csc(C(F)(F)F)c2)[nH]n1 ZINC000925102900 1123110870 /nfs/dbraw/zinc/11/08/70/1123110870.db2.gz LQHBJTFRCZVMKJ-QMMMGPOBSA-N 0 1 289.326 3.649 20 0 CHADMN CC(C)N(Cc1cccs1)Cc1cncn1C(C)C ZINC000425329841 1123115368 /nfs/dbraw/zinc/11/53/68/1123115368.db2.gz UUCJQKMRHBNSPJ-UHFFFAOYSA-N 0 1 277.437 3.936 20 0 CHADMN Fc1cccc(CNCc2ccc(F)c3ccccc23)n1 ZINC001201556924 1123123074 /nfs/dbraw/zinc/12/30/74/1123123074.db2.gz CNJRDGDBLHYREO-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN CCCC[C@H](CC)CN1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001201562578 1123124051 /nfs/dbraw/zinc/12/40/51/1123124051.db2.gz GGUODNPYVIVFKI-XQQFMLRXSA-N 0 1 299.352 3.540 20 0 CHADMN CCOC(=O)CN([C@H](C)c1ccccc1)C1CCCC1 ZINC000261118023 1123125426 /nfs/dbraw/zinc/12/54/26/1123125426.db2.gz GCKKDWLJCFLBME-CQSZACIVSA-N 0 1 275.392 3.555 20 0 CHADMN Cc1cccc2c1[C@H](NCc1ccn(C(C)C)n1)CC2 ZINC000925104682 1123131800 /nfs/dbraw/zinc/13/18/00/1123131800.db2.gz OGLREDAFGLEQEG-MRXNPFEDSA-N 0 1 269.392 3.550 20 0 CHADMN CC(C)CCN(Cc1cccnc1)Cc1ccccn1 ZINC001201620209 1123132153 /nfs/dbraw/zinc/13/21/53/1123132153.db2.gz KKINUTMBFXDIQO-UHFFFAOYSA-N 0 1 269.392 3.525 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1CCOC2(CCCCC2)C1 ZINC000441459006 1123132215 /nfs/dbraw/zinc/13/22/15/1123132215.db2.gz QPSYYDVFMWZFHC-AWEZNQCLSA-N 0 1 277.383 3.922 20 0 CHADMN CSCCN1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000536343133 1123133056 /nfs/dbraw/zinc/13/30/56/1123133056.db2.gz CVVHSODUMQYYRY-GFCCVEGCSA-N 0 1 285.840 3.546 20 0 CHADMN CCO[C@@H](CC)c1noc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000665041926 1123135503 /nfs/dbraw/zinc/13/55/03/1123135503.db2.gz YUPGSZQMZGCTDQ-KBPBESRZSA-N 0 1 293.411 3.637 20 0 CHADMN CCO[C@@H](CC)c1noc([C@@H]2CCCN2C2CCCC2)n1 ZINC000665041926 1123135506 /nfs/dbraw/zinc/13/55/06/1123135506.db2.gz YUPGSZQMZGCTDQ-KBPBESRZSA-N 0 1 293.411 3.637 20 0 CHADMN CCCN1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001201645714 1123136114 /nfs/dbraw/zinc/13/61/14/1123136114.db2.gz CSZBAJCZINQNLZ-UHFFFAOYSA-N 0 1 273.207 3.525 20 0 CHADMN CCCN1CCSC[C@H]1c1cccc(Cl)c1 ZINC001201646078 1123136136 /nfs/dbraw/zinc/13/61/36/1123136136.db2.gz RTESVWNEUIKDDN-ZDUSSCGKSA-N 0 1 255.814 3.840 20 0 CHADMN CC[N@@H+](Cc1nc(C(C)C)no1)[C@@H]1CCCC[C@@H]1C ZINC000189253998 1123137092 /nfs/dbraw/zinc/13/70/92/1123137092.db2.gz GNZHZYLTKRTDEW-QWHCGFSZSA-N 0 1 265.401 3.594 20 0 CHADMN Cc1cc(C)c(CN2CCn3cccc3[C@H]2C)c(C)c1 ZINC000520471159 1123140868 /nfs/dbraw/zinc/14/08/68/1123140868.db2.gz NAEPSAHQVOEVBH-MRXNPFEDSA-N 0 1 268.404 3.990 20 0 CHADMN Cc1sccc1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000634213623 1129105753 /nfs/dbraw/zinc/10/57/53/1129105753.db2.gz MZAFIMRSMNKXOF-AWEZNQCLSA-N 0 1 280.437 3.506 20 0 CHADMN Clc1ncccc1CNC/C=C\c1ccccc1 ZINC001201692604 1123143317 /nfs/dbraw/zinc/14/33/17/1123143317.db2.gz DFFXMDRTPJDBJU-YWEYNIOJSA-N 0 1 258.752 3.538 20 0 CHADMN Fc1ccc2c(c1)OCCC[C@@H]2NCc1ccsc1 ZINC001201742447 1123144290 /nfs/dbraw/zinc/14/42/90/1123144290.db2.gz OXVSDUBHLNCMTD-AWEZNQCLSA-N 0 1 277.364 3.891 20 0 CHADMN CCCCCCN1CCc2ccc(C(C)=O)cc2C1 ZINC001201754123 1123146269 /nfs/dbraw/zinc/14/62/69/1123146269.db2.gz MVYHSABAEOXRHE-UHFFFAOYSA-N 0 1 259.393 3.828 20 0 CHADMN CC(C)CCc1noc(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)n1 ZINC000441482395 1123146459 /nfs/dbraw/zinc/14/64/59/1123146459.db2.gz CSPUTMYXMLJYEC-QLFBSQMISA-N 0 1 291.439 3.811 20 0 CHADMN C[C@@H](NCc1cc[nH]c1)c1cc(Cl)ccc1F ZINC001201770811 1123148462 /nfs/dbraw/zinc/14/84/62/1123148462.db2.gz XLQKHNXVFIJHBW-SECBINFHSA-N 0 1 252.720 3.658 20 0 CHADMN COc1ccnc(NCc2c(F)ccc(F)c2Cl)c1 ZINC001201813246 1123151508 /nfs/dbraw/zinc/15/15/08/1123151508.db2.gz DULXMUBRUIMJLD-UHFFFAOYSA-N 0 1 284.693 3.634 20 0 CHADMN CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)N1CC1CC1 ZINC001201951728 1123162516 /nfs/dbraw/zinc/16/25/16/1123162516.db2.gz YJOMAEWVCJDXHR-IAGOWNOFSA-N 0 1 287.403 3.555 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN1CCC(=O)C[C@H]1C ZINC001201970943 1123164867 /nfs/dbraw/zinc/16/48/67/1123164867.db2.gz BMQLUNCYNXNSKY-HUUCEWRRSA-N 0 1 251.414 3.812 20 0 CHADMN CCN(C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000520528347 1123168430 /nfs/dbraw/zinc/16/84/30/1123168430.db2.gz CNNKJKTWZLKROX-NVXWUHKLSA-N 0 1 288.435 3.550 20 0 CHADMN COc1ccc(F)c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000507775056 1123170272 /nfs/dbraw/zinc/17/02/72/1123170272.db2.gz ZDLSAFKSZCSOJG-BLLLJJGKSA-N 0 1 263.356 3.599 20 0 CHADMN CCCC[C@H](O)CN1CCC[C@@H]1c1ccc(F)cc1F ZINC001252098893 1123175441 /nfs/dbraw/zinc/17/54/41/1123175441.db2.gz XDYNCULMGVPPER-XJKSGUPXSA-N 0 1 283.362 3.653 20 0 CHADMN CC1(c2ccccc2)CCN(Cn2cccnc2=S)CC1 ZINC000178965397 1123177065 /nfs/dbraw/zinc/17/70/65/1123177065.db2.gz NXEDYXVMQYFKJR-UHFFFAOYSA-N 0 1 299.443 3.624 20 0 CHADMN FC(F)(F)c1n[nH]c2c1CCN(CC1CCCC1)C2 ZINC001202189962 1123184685 /nfs/dbraw/zinc/18/46/85/1123184685.db2.gz HMVYZXDXPUXVQB-GFCCVEGCSA-N 0 1 273.302 3.533 20 0 CHADMN CC(C)Oc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000620902842 1129104265 /nfs/dbraw/zinc/10/42/65/1129104265.db2.gz YDKLPUKGYMLQBS-UHFFFAOYSA-N 0 1 295.342 3.602 20 0 CHADMN CC1(C)CC[C@H]2C[C@@H](NCc3cnccn3)c3cccc1c32 ZINC000334514339 1123195906 /nfs/dbraw/zinc/19/59/06/1123195906.db2.gz WPHHPYISADADCM-SUMWQHHRSA-N 0 1 293.414 3.866 20 0 CHADMN Cc1cc(F)ncc1CNC1(c2cccc(F)c2)CCC1 ZINC000895100298 1123202020 /nfs/dbraw/zinc/20/20/20/1123202020.db2.gz UJBUESUXMCIDGA-UHFFFAOYSA-N 0 1 288.341 3.837 20 0 CHADMN O=C(Nc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1O ZINC001202375753 1123203446 /nfs/dbraw/zinc/20/34/46/1123203446.db2.gz MYEUSQGQJHLVOH-UHFFFAOYSA-N 0 1 298.676 3.968 20 0 CHADMN Cn1ncc(CNC2(c3cccc(F)c3)CCC2)c1C1CC1 ZINC000895101138 1123203565 /nfs/dbraw/zinc/20/35/65/1123203565.db2.gz ZRAWGBBNDAKKHX-UHFFFAOYSA-N 0 1 299.393 3.606 20 0 CHADMN COc1ncc(CNCc2ccc(C3CCC3)cc2)s1 ZINC000639108911 1123204800 /nfs/dbraw/zinc/20/48/00/1123204800.db2.gz XMFOPCNIZDFPFB-UHFFFAOYSA-N 0 1 288.416 3.709 20 0 CHADMN Oc1ccc(CNC2(c3ccccc3F)CCC2)cc1F ZINC000895103786 1123204817 /nfs/dbraw/zinc/20/48/17/1123204817.db2.gz BMGHBEOMHAGARM-UHFFFAOYSA-N 0 1 289.325 3.839 20 0 CHADMN Cc1cc(F)ncc1CNC1(c2ccccc2F)CCC1 ZINC000895103929 1123205099 /nfs/dbraw/zinc/20/50/99/1123205099.db2.gz DHLVLZIEQHRHOA-UHFFFAOYSA-N 0 1 288.341 3.837 20 0 CHADMN COc1ccc2ccccc2c1CN1CCC[C@@H](F)C1 ZINC001203990223 1123205281 /nfs/dbraw/zinc/20/52/81/1123205281.db2.gz UQSRBKTYDSKDTP-CQSZACIVSA-N 0 1 273.351 3.782 20 0 CHADMN Cc1cc(CNC2(c3ccccc3F)CCC2)cnc1F ZINC000895104752 1123205543 /nfs/dbraw/zinc/20/55/43/1123205543.db2.gz MMCWFBBREFPDOX-UHFFFAOYSA-N 0 1 288.341 3.837 20 0 CHADMN CC[C@@]1(C)CCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000532090220 1123206505 /nfs/dbraw/zinc/20/65/05/1123206505.db2.gz WPLILMNAOMHQDZ-KRWDZBQOSA-N 0 1 270.376 3.964 20 0 CHADMN CCOc1cccc(CNCc2nccc3ccccc32)c1 ZINC000067450715 1123217038 /nfs/dbraw/zinc/21/70/38/1123217038.db2.gz YLVPDCKXXZCUEP-UHFFFAOYSA-N 0 1 292.382 3.923 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCC=C(Br)C1 ZINC000688772568 1129107239 /nfs/dbraw/zinc/10/72/39/1129107239.db2.gz URNCOQKZKIOJOG-VIFPVBQESA-N 0 1 282.172 3.652 20 0 CHADMN CN(C)Cc1cc(-c2cncc(C(F)F)c2)ccc1F ZINC000665199275 1123227731 /nfs/dbraw/zinc/22/77/31/1123227731.db2.gz AIGAZKRNFNNGTR-UHFFFAOYSA-N 0 1 280.293 3.887 20 0 CHADMN CC(C)c1noc(CN[C@@H](C)[C@@H](C)C2CCCCC2)n1 ZINC000185497328 1123228249 /nfs/dbraw/zinc/22/82/49/1123228249.db2.gz STVKHEJVBOFGNP-OLZOCXBDSA-N 0 1 279.428 3.888 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NCCC1=CCCCCC1 ZINC000185725707 1123232034 /nfs/dbraw/zinc/23/20/34/1123232034.db2.gz QMHJUFSCUDTUOU-UHFFFAOYSA-N 0 1 289.423 3.852 20 0 CHADMN CCc1nc(C(C)C)ccc1CN(C)C[C@H]1CCCCO1 ZINC000338928063 1123232949 /nfs/dbraw/zinc/23/29/49/1123232949.db2.gz YLYISEBXQAISEE-MRXNPFEDSA-N 0 1 290.451 3.768 20 0 CHADMN Cc1ccccc1-c1noc(CN2CC(C)(C)C[C@@H]2C)n1 ZINC000665220347 1123233585 /nfs/dbraw/zinc/23/35/85/1123233585.db2.gz ZVYYQQLFKCACNU-ZDUSSCGKSA-N 0 1 285.391 3.665 20 0 CHADMN C[C@H](NC1CC(C)(F)C1)c1nc2c(s1)CCCC2 ZINC000334520797 1123241295 /nfs/dbraw/zinc/24/12/95/1123241295.db2.gz SOAPGQQMZDJIFY-IPWFMCSPSA-N 0 1 268.401 3.563 20 0 CHADMN C[C@H](N[C@H]1CC(C)(C)c2ccccc21)c1ccncn1 ZINC000334525164 1123242923 /nfs/dbraw/zinc/24/29/23/1123242923.db2.gz FZRXPVLCYKNQIT-LRDDRELGSA-N 0 1 267.376 3.550 20 0 CHADMN C[C@@H](N[C@H]1CCC(C)(C)c2ccccc21)c1ccncn1 ZINC000334527620 1123243151 /nfs/dbraw/zinc/24/31/51/1123243151.db2.gz INUOFJYEEUFEPA-DYVFJYSZSA-N 0 1 281.403 3.940 20 0 CHADMN C[C@@H](NCC1(c2cccc(Cl)c2)CC1)c1ncco1 ZINC000925112998 1123246261 /nfs/dbraw/zinc/24/62/61/1123246261.db2.gz YFNYTEDVPBWSTG-LLVKDONJSA-N 0 1 276.767 3.710 20 0 CHADMN C[C@H](NCC1(c2cccc(Cl)c2)CC1)c1ncco1 ZINC000925113003 1123246411 /nfs/dbraw/zinc/24/64/11/1123246411.db2.gz YFNYTEDVPBWSTG-NSHDSACASA-N 0 1 276.767 3.710 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2ccc(Cl)cc2)cn1 ZINC000507907168 1123247710 /nfs/dbraw/zinc/24/77/10/1123247710.db2.gz YMNOBLIHQKZPRT-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN CC1(C(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)CC1 ZINC000427794363 1123248543 /nfs/dbraw/zinc/24/85/43/1123248543.db2.gz AKQXJVNKOHUXHW-UHFFFAOYSA-N 0 1 291.354 3.969 20 0 CHADMN Cc1cc(CN[C@H]2CC[C@@H](C)c3ccsc32)on1 ZINC000334542064 1123249508 /nfs/dbraw/zinc/24/95/08/1123249508.db2.gz GODAYNJHUHMOHR-RNCFNFMXSA-N 0 1 262.378 3.773 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H](C)c2ccc(F)c(C)c2)cn1 ZINC000427830065 1123252602 /nfs/dbraw/zinc/25/26/02/1123252602.db2.gz UGHYKRURJRFTAD-CHWSQXEVSA-N 0 1 273.355 3.644 20 0 CHADMN C1=C[C@@H](NCc2ccc(Oc3ccccc3)o2)CC1 ZINC000850358539 1123255893 /nfs/dbraw/zinc/25/58/93/1123255893.db2.gz FXJYMUVVOPHPHH-CYBMUJFWSA-N 0 1 255.317 3.880 20 0 CHADMN O[C@@H]1C[C@H](NCc2cc(F)cc(Cl)c2)c2ccccc21 ZINC000850376632 1123260558 /nfs/dbraw/zinc/26/05/58/1123260558.db2.gz ZIOTWOGRYCHAKU-JKSUJKDBSA-N 0 1 291.753 3.747 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1C(=O)c1[nH]nc2ccccc21 ZINC000156048236 1129109537 /nfs/dbraw/zinc/10/95/37/1129109537.db2.gz CHFPIZJVFAHAJI-IUODEOHRSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1cc(CN2CCCC3(C2)CCCCCC3)nn1C ZINC000487406853 1123262499 /nfs/dbraw/zinc/26/24/99/1123262499.db2.gz GZMWRRNONVMJTJ-UHFFFAOYSA-N 0 1 275.440 3.665 20 0 CHADMN C[C@H](O)[C@@H](NCc1cc(Cl)cs1)c1ccccc1 ZINC000850420901 1123264687 /nfs/dbraw/zinc/26/46/87/1123264687.db2.gz SXDOPFVOXCIPID-IINYFYTJSA-N 0 1 281.808 3.613 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2ccc3c(c2)CCCO3)n1 ZINC000850425337 1123265506 /nfs/dbraw/zinc/26/55/06/1123265506.db2.gz LREMYLULXWEWEG-AWEZNQCLSA-N 0 1 282.387 3.566 20 0 CHADMN Fc1ccc2c(c1Cl)[C@H](N[C@H]1C=CCC1)CC2 ZINC000850510484 1123278039 /nfs/dbraw/zinc/27/80/39/1123278039.db2.gz XCNSLHKFOHFDLZ-CMPLNLGQSA-N 0 1 251.732 3.775 20 0 CHADMN CCCCOC1CCN(Cc2oc(C(C)C)nc2C)CC1 ZINC000428219697 1123283086 /nfs/dbraw/zinc/28/30/86/1123283086.db2.gz AUMOERAFIFIUQE-UHFFFAOYSA-N 0 1 294.439 3.888 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1ccc(F)cc1 ZINC000850530161 1123284000 /nfs/dbraw/zinc/28/40/00/1123284000.db2.gz WJPKORBVRPDZLZ-JECHBYEQSA-N 0 1 271.335 3.655 20 0 CHADMN CCC[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1ccccn1 ZINC000850529472 1123284166 /nfs/dbraw/zinc/28/41/66/1123284166.db2.gz RRRMZBYVIVZFGP-KSZLIROESA-N 0 1 282.387 3.691 20 0 CHADMN C[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1ccccc1N(C)C ZINC000850529819 1123284301 /nfs/dbraw/zinc/28/43/01/1123284301.db2.gz UFFICBULJDYQLB-IXDGSTSKSA-N 0 1 296.414 3.582 20 0 CHADMN Fc1ccc2nc(CN3CC[C@@H]3Cc3ccccc3)oc2c1 ZINC000466968371 1123285139 /nfs/dbraw/zinc/28/51/39/1123285139.db2.gz BXUNADHWDAHXCV-OAHLLOKOSA-N 0 1 296.345 3.784 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1ccc(F)c(F)c1 ZINC000850530371 1123285179 /nfs/dbraw/zinc/28/51/79/1123285179.db2.gz XYIYPSYQSKMVKS-PZDALLCQSA-N 0 1 289.325 3.794 20 0 CHADMN Fc1cccc2c1CC[C@H]2N[C@H]1COCc2ccccc21 ZINC000428232664 1123286141 /nfs/dbraw/zinc/28/61/41/1123286141.db2.gz VJVDUIOWDAGYMM-MSOLQXFVSA-N 0 1 283.346 3.674 20 0 CHADMN CC[C@H](NCc1cnn(C)c1C1CC1)c1ccccc1F ZINC000895147829 1123293094 /nfs/dbraw/zinc/29/30/94/1123293094.db2.gz XCICDUQRHYNCHD-INIZCTEOSA-N 0 1 287.382 3.678 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@@]3(CC=CCC3)C2)s1 ZINC000335143880 1123309830 /nfs/dbraw/zinc/30/98/30/1123309830.db2.gz LCQQKLCLRCPZOX-WFASDCNBSA-N 0 1 277.437 3.730 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000428249789 1123316210 /nfs/dbraw/zinc/31/62/10/1123316210.db2.gz USRWQWHNVKVUAO-HUUCEWRRSA-N 0 1 298.434 3.615 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2nnc(C(C)C)[nH]2)C1 ZINC000428249789 1123316213 /nfs/dbraw/zinc/31/62/13/1123316213.db2.gz USRWQWHNVKVUAO-HUUCEWRRSA-N 0 1 298.434 3.615 20 0 CHADMN NC(=O)[C@@H](c1ccccc1)N1CCSC2(CCC2)CC1 ZINC000335174743 1123316956 /nfs/dbraw/zinc/31/69/56/1123316956.db2.gz DHAPTKQAERCGLC-CQSZACIVSA-N 0 1 290.432 3.625 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](C)c2ccccc21)c1ccccn1 ZINC000271485361 1129113941 /nfs/dbraw/zinc/11/39/41/1129113941.db2.gz OCGLMXJZGIEEIO-IIYDPXPESA-N 0 1 252.361 3.981 20 0 CHADMN CC1=C[C@@H](C)CN([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000335232507 1123326152 /nfs/dbraw/zinc/32/61/52/1123326152.db2.gz USFSSHSVZXRZID-TZMCWYRMSA-N 0 1 283.375 3.696 20 0 CHADMN Cc1cncc(CN(C)CCOc2ccccc2Cl)c1 ZINC000442679207 1123332436 /nfs/dbraw/zinc/33/24/36/1123332436.db2.gz KIRSZISBHIOTFF-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](C)c2ccccc2SC)n[nH]1 ZINC000442865894 1123343718 /nfs/dbraw/zinc/34/37/18/1123343718.db2.gz JBOFPJWIAQGXQA-GHMZBOCLSA-N 0 1 290.436 3.501 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442884732 1123346784 /nfs/dbraw/zinc/34/67/84/1123346784.db2.gz ZEUJABOBWOKDAR-ZYHUDNBSSA-N 0 1 289.345 3.829 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1cncc(C)c1)[C@H]2C ZINC000442900838 1123349043 /nfs/dbraw/zinc/34/90/43/1123349043.db2.gz QEMRDRBJBGHNPX-CABCVRRESA-N 0 1 296.414 3.906 20 0 CHADMN CC1(C)C[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)[C@@H]2CCC[C@H]2O1 ZINC000442958269 1123350529 /nfs/dbraw/zinc/35/05/29/1123350529.db2.gz BKNWYWVEKVIWGO-BSDSXHPESA-N 0 1 285.431 3.822 20 0 CHADMN CC1(C)CN(C[C@@H]2C[C@@H]2c2ccccc2)[C@@H]2CCC[C@H]2O1 ZINC000442958269 1123350533 /nfs/dbraw/zinc/35/05/33/1123350533.db2.gz BKNWYWVEKVIWGO-BSDSXHPESA-N 0 1 285.431 3.822 20 0 CHADMN Cc1nc2c(n1Cc1cccc3ncccc13)CCCC2 ZINC000634536242 1129116077 /nfs/dbraw/zinc/11/60/77/1129116077.db2.gz XTZXYTGUXNXLHQ-UHFFFAOYSA-N 0 1 277.371 3.667 20 0 CHADMN CC(C)n1ncc2c1[C@@H](N[C@H](C)c1cccc(O)c1)CCC2 ZINC000367021048 1123355650 /nfs/dbraw/zinc/35/56/50/1123355650.db2.gz CGTLYZCRFBBPLD-DYVFJYSZSA-N 0 1 299.418 3.898 20 0 CHADMN Cc1cnc([C@H](C)[N@H+]2CC[C@@H](c3ccccc3C)C2)o1 ZINC000335319953 1123356921 /nfs/dbraw/zinc/35/69/21/1123356921.db2.gz VAKFKJXIJPPDSD-LSDHHAIUSA-N 0 1 270.376 3.842 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccoc1 ZINC000156779101 1129116341 /nfs/dbraw/zinc/11/63/41/1129116341.db2.gz LRKVGFGKFKRKLX-KBPBESRZSA-N 0 1 298.386 3.818 20 0 CHADMN CCO[C@@H]1C[C@@H](NCc2nccn2C(C)C)C1(CC)CC ZINC000191065691 1123362785 /nfs/dbraw/zinc/36/27/85/1123362785.db2.gz YUPYJANVXUIUAZ-HUUCEWRRSA-N 0 1 293.455 3.537 20 0 CHADMN C[C@@H]1CCC[C@@H]1CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000467448843 1123363453 /nfs/dbraw/zinc/36/34/53/1123363453.db2.gz YTIIHACPVRDKPQ-XNRPHZJLSA-N 0 1 287.382 3.664 20 0 CHADMN Cc1ccccc1NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000335370576 1123366327 /nfs/dbraw/zinc/36/63/27/1123366327.db2.gz BIDUBYIDHHLAET-CYBMUJFWSA-N 0 1 297.402 3.585 20 0 CHADMN CC(C)C[C@H](N)c1noc(C2(C)CCC(F)(F)CC2)n1 ZINC000634555472 1129117130 /nfs/dbraw/zinc/11/71/30/1129117130.db2.gz LIKAPSDNUZVWNB-JTQLQIEISA-N 0 1 287.354 3.583 20 0 CHADMN CCCCN(Cc1ccccc1Cl)C[C@@H]1CCC(=O)O1 ZINC000851747740 1123378101 /nfs/dbraw/zinc/37/81/01/1123378101.db2.gz WHOWHRCWFFRJNS-AWEZNQCLSA-N 0 1 295.810 3.648 20 0 CHADMN CCCO[C@H]1CCCN(CC=C(Cl)Cl)CC1 ZINC000851764272 1123379299 /nfs/dbraw/zinc/37/92/99/1123379299.db2.gz ILOWZJVTAUUBSM-NSHDSACASA-N 0 1 266.212 3.587 20 0 CHADMN c1ccc2oc(CN3CCC[C@]4(CCSC4)C3)nc2c1 ZINC000335572787 1123382005 /nfs/dbraw/zinc/38/20/05/1123382005.db2.gz POHCIJKFLYGVAG-INIZCTEOSA-N 0 1 288.416 3.547 20 0 CHADMN CC1(C)CC=C(C(=O)Nc2ccccc2-c2nnc[nH]2)CC1 ZINC000335577278 1123382737 /nfs/dbraw/zinc/38/27/37/1123382737.db2.gz PQPMXMBIEUGUOZ-UHFFFAOYSA-N 0 1 296.374 3.547 20 0 CHADMN Fc1cccc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)n1 ZINC000851824468 1123383067 /nfs/dbraw/zinc/38/30/67/1123383067.db2.gz HSHYFCBMBUXUGC-KRWDZBQOSA-N 0 1 282.362 3.873 20 0 CHADMN Fc1cccc(CN(C2CC2)[C@H]2CCc3ccccc32)n1 ZINC000851824468 1123383069 /nfs/dbraw/zinc/38/30/69/1123383069.db2.gz HSHYFCBMBUXUGC-KRWDZBQOSA-N 0 1 282.362 3.873 20 0 CHADMN O=C1CC[C@@H](CN2CCCC[C@H]2c2cccc(Cl)c2)O1 ZINC000851989497 1123392177 /nfs/dbraw/zinc/39/21/77/1123392177.db2.gz JOKQBUDKYVZMPB-GJZGRUSLSA-N 0 1 293.794 3.573 20 0 CHADMN Cc1ccccc1[C@H](C)N(Cc1cnon1)CC(C)C ZINC000852024561 1123394095 /nfs/dbraw/zinc/39/40/95/1123394095.db2.gz YFLKDYMBGNANJD-AWEZNQCLSA-N 0 1 273.380 3.597 20 0 CHADMN CCc1noc([C@H](C)N2CCC[C@@](C)(c3ccccc3)C2)n1 ZINC000113265451 1123394480 /nfs/dbraw/zinc/39/44/80/1123394480.db2.gz RWIADFZUBJMWNV-KBXCAEBGSA-N 0 1 299.418 3.747 20 0 CHADMN Cc1ccncc1CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000335681825 1123397829 /nfs/dbraw/zinc/39/78/29/1123397829.db2.gz NQULQVAAVSEOOF-QGZVFWFLSA-N 0 1 294.398 3.926 20 0 CHADMN Cc1cccc(-c2nnc([C@H](C)N3C[C@@H]4CCCC[C@@H]43)o2)c1 ZINC000852218289 1123400795 /nfs/dbraw/zinc/40/07/95/1123400795.db2.gz GNSCRHZBKGOETG-BPUTZDHNSA-N 0 1 297.402 3.980 20 0 CHADMN CC(C)c1ccc(C[N@H+]2CCCC[C@H]2C2OCCO2)cc1 ZINC000110502063 1123401531 /nfs/dbraw/zinc/40/15/31/1123401531.db2.gz YKKCRCSSHVCHNZ-KRWDZBQOSA-N 0 1 289.419 3.537 20 0 CHADMN CCCCNC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000543701295 1123401479 /nfs/dbraw/zinc/40/14/79/1123401479.db2.gz JPTWDXHIIASKCW-UHFFFAOYSA-N 0 1 299.399 3.821 20 0 CHADMN CCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000028831317 1123402027 /nfs/dbraw/zinc/40/20/27/1123402027.db2.gz QYSMFMYLOLQHEA-UHFFFAOYSA-N 0 1 253.758 3.627 20 0 CHADMN CC(C)(C)c1nnc(CN[C@@H]2CCCC23CCCCC3)o1 ZINC000852309418 1123402176 /nfs/dbraw/zinc/40/21/76/1123402176.db2.gz FSGBTEGYDYWYKK-CYBMUJFWSA-N 0 1 291.439 3.960 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cccc(C2CCCC2)c1 ZINC000665331645 1123402835 /nfs/dbraw/zinc/40/28/35/1123402835.db2.gz XQFIWAHYTAQYGF-CXAGYDPISA-N 0 1 287.403 3.782 20 0 CHADMN COc1cc(NCc2cnc[nH]2)c(C2CC2)cc1Cl ZINC000895192454 1123403515 /nfs/dbraw/zinc/40/35/15/1123403515.db2.gz GSSVLXFYKBWJOQ-UHFFFAOYSA-N 0 1 277.755 3.561 20 0 CHADMN C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCCCCCC1 ZINC000008338911 1123405101 /nfs/dbraw/zinc/40/51/01/1123405101.db2.gz CMMXMTDRQUHLFM-GFCCVEGCSA-N 0 1 296.361 3.558 20 0 CHADMN CC(C)c1cnc(CN[C@@H](C)C2CCC(F)CC2)o1 ZINC000852650693 1123410787 /nfs/dbraw/zinc/41/07/87/1123410787.db2.gz OJXSXIJLMPIABL-HIFPTAJRSA-N 0 1 268.376 3.804 20 0 CHADMN CCCCCC[C@H](CC)CN(C)[C@H](C)c1nncn1C ZINC000852724567 1123413565 /nfs/dbraw/zinc/41/35/65/1123413565.db2.gz GWQSXWSBICVJKQ-CABCVRRESA-N 0 1 280.460 3.805 20 0 CHADMN O=c1cc(C2CCC2)[nH]n1-c1cccc(C(F)(F)F)c1 ZINC000634593451 1129120212 /nfs/dbraw/zinc/12/02/12/1129120212.db2.gz OYXOPYAIISPJHS-UHFFFAOYSA-N 0 1 282.265 3.598 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)n1[nH]c(C2CCC2)cc1=O ZINC000634601607 1129120659 /nfs/dbraw/zinc/12/06/59/1129120659.db2.gz RCWNAQSXAPZVIE-JTQLQIEISA-N 0 1 276.767 3.789 20 0 CHADMN CCc1c(=O)n(-c2ccnc3ccccc32)[nH]c1C(C)C ZINC000634602916 1129120676 /nfs/dbraw/zinc/12/06/76/1129120676.db2.gz JFJVJNCFQYJSBV-GFCCVEGCSA-N 0 1 281.359 3.620 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc3c(c2)CCCO3)o1 ZINC000853094612 1123423850 /nfs/dbraw/zinc/42/38/50/1123423850.db2.gz HNTUUPRLOCKGNN-CYBMUJFWSA-N 0 1 271.360 3.764 20 0 CHADMN CC1(C)C[C@@]1(NCc1ccc(F)nc1)c1ccccc1 ZINC000853091200 1123424125 /nfs/dbraw/zinc/42/41/25/1123424125.db2.gz AFDDNSYZSBOKSU-QGZVFWFLSA-N 0 1 270.351 3.636 20 0 CHADMN CCCCc1cc(=O)n(Cc2cnc3ccccc3c2)[nH]1 ZINC000634618407 1129121442 /nfs/dbraw/zinc/12/14/42/1129121442.db2.gz PYZKOIQDLBHOET-UHFFFAOYSA-N 0 1 281.359 3.513 20 0 CHADMN O=C1[C@@H]2CCCCCC2=NN1c1cccc2cnccc21 ZINC000634622516 1129121501 /nfs/dbraw/zinc/12/15/01/1129121501.db2.gz HIVGKHMQBGHXQM-CQSZACIVSA-N 0 1 279.343 3.518 20 0 CHADMN O=c1c2c([nH]n1-c1cccc3cnccc31)CCCCC2 ZINC000634622516 1129121502 /nfs/dbraw/zinc/12/15/02/1129121502.db2.gz HIVGKHMQBGHXQM-CQSZACIVSA-N 0 1 279.343 3.518 20 0 CHADMN CCCc1[nH]n(-c2ccnc(C(F)(F)F)c2)c(=O)c1CC ZINC000634618293 1129121516 /nfs/dbraw/zinc/12/15/16/1129121516.db2.gz MESZDQCYLXFRRF-SNVBAGLBSA-N 0 1 299.296 3.629 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000443611726 1123443631 /nfs/dbraw/zinc/44/36/31/1123443631.db2.gz AJBFVERSRYSXAS-TXEJJXNPSA-N 0 1 291.345 3.523 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000443614564 1123444487 /nfs/dbraw/zinc/44/44/87/1123444487.db2.gz DYKAKCJDQXJVMJ-GHMZBOCLSA-N 0 1 292.329 3.850 20 0 CHADMN CC(C)c1cc(=O)n(Cc2cc(Cl)ccc2Cl)[nH]1 ZINC000634627309 1129122594 /nfs/dbraw/zinc/12/25/94/1129122594.db2.gz ZUSKBZJIBDPTDH-UHFFFAOYSA-N 0 1 285.174 3.738 20 0 CHADMN CCCc1cc(=O)n(Cc2c(OC)ccc3ccccc32)[nH]1 ZINC000634631414 1129122729 /nfs/dbraw/zinc/12/27/29/1129122729.db2.gz UAMKNZGQTVMJGT-UHFFFAOYSA-N 0 1 296.370 3.737 20 0 CHADMN c1coc(C2CCN(Cc3cnn(CC4CCC4)c3)CC2)c1 ZINC000895319414 1123453968 /nfs/dbraw/zinc/45/39/68/1123453968.db2.gz JVQSTGJGLBPZAO-UHFFFAOYSA-N 0 1 299.418 3.656 20 0 CHADMN Cc1ccccc1-c1nc(CN2CC[C@@H](C)C[C@@H](C)C2)no1 ZINC000443639770 1123454898 /nfs/dbraw/zinc/45/48/98/1123454898.db2.gz LOBUKBWLZFXIGB-ZIAGYGMSSA-N 0 1 299.418 3.913 20 0 CHADMN O=c1[nH]c2cccc(CN3CCC(c4ccco4)CC3)c2o1 ZINC000895321921 1123455325 /nfs/dbraw/zinc/45/53/25/1123455325.db2.gz UCNQRIFGQGGHLH-UHFFFAOYSA-N 0 1 298.342 3.506 20 0 CHADMN CC(C)CCc1noc(CN2CC[C@H](C)C[C@@H](C)C2)n1 ZINC000443637827 1123456381 /nfs/dbraw/zinc/45/63/81/1123456381.db2.gz HFSWXSWDSCHSJL-UONOGXRCSA-N 0 1 279.428 3.526 20 0 CHADMN Clc1nccc2cc(CN3CC[C@H]4C[C@H]4C3)sc21 ZINC000895326791 1123456405 /nfs/dbraw/zinc/45/64/05/1123456405.db2.gz GSCOIVVUYIZABB-ONGXEEELSA-N 0 1 278.808 3.792 20 0 CHADMN CCCCOCCN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443648822 1123461544 /nfs/dbraw/zinc/46/15/44/1123461544.db2.gz GPILMDHQCRCKIN-CQSZACIVSA-N 0 1 297.826 3.610 20 0 CHADMN C[C@H]1CCN(Cc2nc(-c3cccs3)no2)C[C@@H](C)C1 ZINC000443654618 1123463354 /nfs/dbraw/zinc/46/33/54/1123463354.db2.gz IZELQQFCXDHNDV-RYUDHWBXSA-N 0 1 291.420 3.666 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCOC2(CCC2)C1 ZINC000443660281 1123466596 /nfs/dbraw/zinc/46/65/96/1123466596.db2.gz QVKKGKOHSRNYNQ-UHFFFAOYSA-N 0 1 299.336 3.769 20 0 CHADMN C[C@H]1CCC[C@@H](CC(=O)Nc2cccc(-c3cn[nH]n3)c2)C1 ZINC000443666303 1123467611 /nfs/dbraw/zinc/46/76/11/1123467611.db2.gz DNLIMISHXJCDJQ-QWHCGFSZSA-N 0 1 298.390 3.627 20 0 CHADMN CC(C)CSCCCN1CCn2cccc2[C@@H]1C ZINC000443676928 1123469180 /nfs/dbraw/zinc/46/91/80/1123469180.db2.gz XKAXVKKTAMTOJM-AWEZNQCLSA-N 0 1 266.454 3.644 20 0 CHADMN CC(C)CN(Cc1cc(-c2ccco2)on1)C1CC1 ZINC000051735066 1123470074 /nfs/dbraw/zinc/47/00/74/1123470074.db2.gz NNQBEKTWSWYRKY-UHFFFAOYSA-N 0 1 260.337 3.555 20 0 CHADMN Cc1ccc([C@@H]2C[C@H]2c2nc([C@H](N)C(C)C)no2)cc1C ZINC000854132836 1123470133 /nfs/dbraw/zinc/47/01/33/1123470133.db2.gz KZEZQMTVGGGCAS-RRFJBIMHSA-N 0 1 285.391 3.613 20 0 CHADMN CC(C)[C@H](N)c1noc(C2CC3(C2)CCCCC3)n1 ZINC000854132897 1123470145 /nfs/dbraw/zinc/47/01/45/1123470145.db2.gz MGHVZOVGGBYANC-LBPRGKRZSA-N 0 1 263.385 3.553 20 0 CHADMN CCCC(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000111990115 1123472821 /nfs/dbraw/zinc/47/28/21/1123472821.db2.gz DHPWZPYLWBXDJV-QMMMGPOBSA-N 0 1 266.728 3.621 20 0 CHADMN Cc1ccc(CN(C)[C@H](C)C(C)(C)C)c(Cl)n1 ZINC000688562233 1123473271 /nfs/dbraw/zinc/47/32/71/1123473271.db2.gz XMZGWVPODWEHJP-LLVKDONJSA-N 0 1 254.805 3.910 20 0 CHADMN O=C(Nc1cnc2ccccc2c1)c1ccc(Cl)cc1O ZINC000052076546 1123476595 /nfs/dbraw/zinc/47/65/95/1123476595.db2.gz KLYIEAYAWYRCLV-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN CSc1ccc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)o1 ZINC000895413453 1123476705 /nfs/dbraw/zinc/47/67/05/1123476705.db2.gz DOYRBBFACQBCME-CYBMUJFWSA-N 0 1 289.400 3.697 20 0 CHADMN CC[C@@](C)(NCc1ocnc1C)c1ccc(F)cc1 ZINC000895418281 1123477490 /nfs/dbraw/zinc/47/74/90/1123477490.db2.gz LCZJMLXHMCKVQJ-OAHLLOKOSA-N 0 1 262.328 3.537 20 0 CHADMN Oc1cccc(CNCc2ccc(Cl)c(Cl)c2)c1 ZINC000383925917 1123483225 /nfs/dbraw/zinc/48/32/25/1123483225.db2.gz INIWLQMWHCKYAE-UHFFFAOYSA-N 0 1 282.170 3.989 20 0 CHADMN Cn1ncc(CN[C@@]2(c3ccccc3)CC2(C)C)c1C1CC1 ZINC000895480712 1123484945 /nfs/dbraw/zinc/48/49/45/1123484945.db2.gz HOBZUVYMGVFYMT-LJQANCHMSA-N 0 1 295.430 3.713 20 0 CHADMN CC(C)(C)C1=CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000759264130 1123491323 /nfs/dbraw/zinc/49/13/23/1123491323.db2.gz RUTXTKQEPMWLJU-INIZCTEOSA-N 0 1 295.373 3.676 20 0 CHADMN CC(=CC(C)(C)C)C(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000854644107 1123491653 /nfs/dbraw/zinc/49/16/53/1123491653.db2.gz FGOPPJVABWEZLF-ZHACJKMWSA-N 0 1 299.374 3.713 20 0 CHADMN CC(C)C[C@@H](CN(C)Cc1ccon1)c1ccccc1 ZINC000474270176 1123499177 /nfs/dbraw/zinc/49/91/77/1123499177.db2.gz LUJXJEFTUAWGDF-INIZCTEOSA-N 0 1 272.392 3.936 20 0 CHADMN CC(C)(C)C1=CCN(C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000759267348 1123499996 /nfs/dbraw/zinc/49/99/96/1123499996.db2.gz FNQNIRVDLZJHNH-INIZCTEOSA-N 0 1 295.373 3.676 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000634697759 1129125877 /nfs/dbraw/zinc/12/58/77/1129125877.db2.gz RGXXNWMSXIGMQE-HNNXBMFYSA-N 0 1 287.403 3.787 20 0 CHADMN CCN(CC)[C@H](CNC(=O)CCC(C)(C)C)c1ccco1 ZINC000157372413 1129126920 /nfs/dbraw/zinc/12/69/20/1129126920.db2.gz GHCXVFZPEGBVBN-CQSZACIVSA-N 0 1 294.439 3.605 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)C[C@@H](N[C@@H](C)c1ncco1)CC3 ZINC000895763303 1123511824 /nfs/dbraw/zinc/51/18/24/1123511824.db2.gz CFTWAPMDSDNJJR-STQMWFEESA-N 0 1 295.386 3.672 20 0 CHADMN CC[C@]1(C)C[C@@H]1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474445235 1123530758 /nfs/dbraw/zinc/53/07/58/1123530758.db2.gz LFLDJGYPWSUYPM-AMIZOPFISA-N 0 1 271.719 3.559 20 0 CHADMN C[C@H](C(=O)Nc1cc(F)cc(Cl)c1O)c1cccs1 ZINC000474441820 1123530770 /nfs/dbraw/zinc/53/07/70/1123530770.db2.gz QVTPWWGDYPIIKT-ZETCQYMHSA-N 0 1 299.754 3.988 20 0 CHADMN CC[C@H]1CCCCN1Cc1ncccc1C(F)(F)F ZINC000157446147 1129127795 /nfs/dbraw/zinc/12/77/95/1129127795.db2.gz AXNGVRYWEVCXNB-NSHDSACASA-N 0 1 272.314 3.865 20 0 CHADMN c1csc([C@H]2CCCN2Cc2cnc3ccccn23)c1 ZINC000157405782 1129128140 /nfs/dbraw/zinc/12/81/40/1129128140.db2.gz UILHQNJLUGTCSC-CQSZACIVSA-N 0 1 283.400 3.733 20 0 CHADMN CCSc1ccc(CNCc2cn(CC)nc2C)cc1 ZINC000895995091 1123541189 /nfs/dbraw/zinc/54/11/89/1123541189.db2.gz OTMBSLVTZSEKSL-UHFFFAOYSA-N 0 1 289.448 3.613 20 0 CHADMN c1csc([C@@H]2CN(CCC3CCCC3)CCO2)c1 ZINC000157499223 1129128449 /nfs/dbraw/zinc/12/84/49/1129128449.db2.gz DZARZFZQVBWQRT-AWEZNQCLSA-N 0 1 265.422 3.702 20 0 CHADMN O[C@@H]1CCN(Cc2ccc(F)cc2)[C@H](c2ccccc2)C1 ZINC000639367545 1123541954 /nfs/dbraw/zinc/54/19/54/1123541954.db2.gz SDNBLSBEDWXRMU-MSOLQXFVSA-N 0 1 285.362 3.524 20 0 CHADMN CCOCCN1CCC[C@H]1c1cccc(Br)c1 ZINC000338986255 1123546939 /nfs/dbraw/zinc/54/69/39/1123546939.db2.gz OIARHOWWXPFNHI-AWEZNQCLSA-N 0 1 298.224 3.623 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000054300329 1123558478 /nfs/dbraw/zinc/55/84/78/1123558478.db2.gz ZGXAQVKTIDZOBR-AWEZNQCLSA-N 0 1 283.371 3.527 20 0 CHADMN Cc1ccc(CN2CC=C(c3ccc(F)cc3)CC2)nc1 ZINC000157558034 1129129831 /nfs/dbraw/zinc/12/98/31/1129129831.db2.gz YRVKRNRIHXFLKT-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN Cc1cc(CNCc2ccccc2OCC2CC2)c(C)o1 ZINC000114505146 1123564484 /nfs/dbraw/zinc/56/44/84/1123564484.db2.gz TWYWNNLBOYCPCM-UHFFFAOYSA-N 0 1 285.387 3.975 20 0 CHADMN Cc1ccc([C@H](NCc2cn(C)nc2Cl)C2CC2)cc1 ZINC000856765579 1123567184 /nfs/dbraw/zinc/56/71/84/1123567184.db2.gz JXVAEEIYTYCIJS-HNNXBMFYSA-N 0 1 289.810 3.623 20 0 CHADMN OCCCCCCCN[C@H](C(F)F)C1CCCCC1 ZINC000856824309 1123571780 /nfs/dbraw/zinc/57/17/80/1123571780.db2.gz FJSGQBLNWLSYRE-AWEZNQCLSA-N 0 1 277.399 3.733 20 0 CHADMN Fc1ccc([C@@H](NC2CCCC2)c2cccnc2)c(F)c1 ZINC000544367681 1123573600 /nfs/dbraw/zinc/57/36/00/1123573600.db2.gz HNXUWLSUYBVRDE-KRWDZBQOSA-N 0 1 288.341 3.981 20 0 CHADMN CCCN(CCc1cccs1)Cc1cn(C)nc1Cl ZINC000857039866 1123580997 /nfs/dbraw/zinc/58/09/97/1123580997.db2.gz QMZSCAAVXBXJRA-UHFFFAOYSA-N 0 1 297.855 3.590 20 0 CHADMN Fc1cc(Cl)cc(CN2CC[C@@H](c3cccnc3)C2)c1 ZINC000648052844 1123594233 /nfs/dbraw/zinc/59/42/33/1123594233.db2.gz OMSGJMWUSHOVCE-CQSZACIVSA-N 0 1 290.769 3.864 20 0 CHADMN CC[N@@H+](Cc1cccs1)Cc1cccc(COC)c1 ZINC000179185637 1123600350 /nfs/dbraw/zinc/60/03/50/1123600350.db2.gz UQNPCEYUQYMDFA-UHFFFAOYSA-N 0 1 275.417 3.917 20 0 CHADMN CSc1ccccc1NC(=O)c1cccc2nc[nH]c21 ZINC000157830197 1129132932 /nfs/dbraw/zinc/13/29/32/1129132932.db2.gz JMKYHMZZTDJCIG-UHFFFAOYSA-N 0 1 283.356 3.537 20 0 CHADMN c1coc([C@H](N[C@H]2CCCc3cn[nH]c32)c2ccccc2)c1 ZINC000857847370 1123621176 /nfs/dbraw/zinc/62/11/76/1123621176.db2.gz ZKOGCJMMRMBJAY-MAUKXSAKSA-N 0 1 293.370 3.759 20 0 CHADMN CC[C@@H](C)n1ncc(N[C@H]2CCCc3cn[nH]c32)c1C1CC1 ZINC000857863183 1123623113 /nfs/dbraw/zinc/62/31/13/1123623113.db2.gz RPYSSZSAZYMAOK-RISCZKNCSA-N 0 1 299.422 3.944 20 0 CHADMN Cc1ccccc1CN[C@@H]1CCc2ccc(Cl)nc21 ZINC000857901957 1123625328 /nfs/dbraw/zinc/62/53/28/1123625328.db2.gz OYPUWXXMTREUHP-CQSZACIVSA-N 0 1 272.779 3.821 20 0 CHADMN Cc1ccsc1CN[C@H]1CCc2ccc(Cl)nc21 ZINC000857902495 1123625589 /nfs/dbraw/zinc/62/55/89/1123625589.db2.gz SGXVNLPNZRTUBV-NSHDSACASA-N 0 1 278.808 3.882 20 0 CHADMN c1coc(CN2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858010316 1123629150 /nfs/dbraw/zinc/62/91/50/1123629150.db2.gz GPGIGNXFZLFIIT-QGZVFWFLSA-N 0 1 298.386 3.595 20 0 CHADMN C[C@@H]1CCC[C@@H](c2noc(-c3ccc4cncn4c3)n2)C1 ZINC000329596777 1123629525 /nfs/dbraw/zinc/62/95/25/1123629525.db2.gz PHIWXGAZLBMQQO-VXGBXAGGSA-N 0 1 282.347 3.678 20 0 CHADMN Cc1cc([C@H](C)NCc2ccnc(F)c2)c(C)s1 ZINC000858092087 1123630023 /nfs/dbraw/zinc/63/00/23/1123630023.db2.gz NMNBIUUPQRMTCT-JTQLQIEISA-N 0 1 264.369 3.750 20 0 CHADMN CC(C)(C)c1noc(CN[C@@H]2CCCCC23CCCC3)n1 ZINC000329622077 1123633318 /nfs/dbraw/zinc/63/33/18/1123633318.db2.gz NFGUBWBFCUNFBG-CYBMUJFWSA-N 0 1 291.439 3.960 20 0 CHADMN CC[C@@H](NCc1ccnc(F)c1)c1ccccc1F ZINC000858185975 1123636868 /nfs/dbraw/zinc/63/68/68/1123636868.db2.gz MPJPKQVWCBXRCB-CQSZACIVSA-N 0 1 262.303 3.601 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1)c1ccnn1C ZINC000192248888 1123637889 /nfs/dbraw/zinc/63/78/89/1123637889.db2.gz BRUDSGVXFVPLEX-GHMZBOCLSA-N 0 1 297.324 3.851 20 0 CHADMN Cc1csc(CN[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)n1 ZINC000858214436 1123638623 /nfs/dbraw/zinc/63/86/23/1123638623.db2.gz OIIWXKRGTCCLGH-NWANDNLSSA-N 0 1 290.819 3.533 20 0 CHADMN Clc1ccc(CN[C@@H](c2ccccn2)C2CCC2)cn1 ZINC000858238321 1123639113 /nfs/dbraw/zinc/63/91/13/1123639113.db2.gz IJSSTTNBBSGKHW-MRXNPFEDSA-N 0 1 287.794 3.761 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1cc(C)c(F)c(C)c1)C(F)(F)F ZINC000777013807 1123641055 /nfs/dbraw/zinc/64/10/55/1123641055.db2.gz XLXOSFMUTUNREE-JQWIXIFHSA-N 0 1 293.304 3.670 20 0 CHADMN Cc1cccc([C@H](NCc2ccc(C)nn2)C(C)C)c1 ZINC000858286492 1123641356 /nfs/dbraw/zinc/64/13/56/1123641356.db2.gz DBGNAANCKIUCMU-QGZVFWFLSA-N 0 1 269.392 3.580 20 0 CHADMN Cc1ccc(CN[C@H]2CCCc3ccc(Cl)cc32)nn1 ZINC000858295439 1123642493 /nfs/dbraw/zinc/64/24/93/1123642493.db2.gz DLRBSERVVGJTFN-INIZCTEOSA-N 0 1 287.794 3.606 20 0 CHADMN CC[C@H](NCc1cnn(C)c1Cl)c1cc(C)ccc1C ZINC000858295748 1123642615 /nfs/dbraw/zinc/64/26/15/1123642615.db2.gz IOPUKOARGNFFLV-HNNXBMFYSA-N 0 1 291.826 3.931 20 0 CHADMN CC[C@@]1(C)CN(Cc2cc(C)c3ncccc3c2)CCO1 ZINC000443853846 1123643592 /nfs/dbraw/zinc/64/35/92/1123643592.db2.gz NVIYFFPXQYJHNN-SFHVURJKSA-N 0 1 284.403 3.544 20 0 CHADMN CCN(Cc1ccc(COC)o1)Cc1c[nH]c2ccccc12 ZINC000443848801 1123644104 /nfs/dbraw/zinc/64/41/04/1123644104.db2.gz AHNUZXQTFQWFEZ-UHFFFAOYSA-N 0 1 298.386 3.929 20 0 CHADMN CC1(C)CC[C@@H](c2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000329709329 1123647794 /nfs/dbraw/zinc/64/77/94/1123647794.db2.gz LNTDAIOZMFMUIM-LLVKDONJSA-N 0 1 282.347 3.907 20 0 CHADMN C[C@H](c1ccccn1)[N@@H+](C)CCO[C@H]1CCCC[C@H]1C ZINC000351772898 1123648711 /nfs/dbraw/zinc/64/87/11/1123648711.db2.gz AKZJVPBVBLBHAF-INMHGKMJSA-N 0 1 276.424 3.670 20 0 CHADMN C[C@H](c1ccccn1)N(C)CCO[C@H]1CCCC[C@H]1C ZINC000351772898 1123648714 /nfs/dbraw/zinc/64/87/14/1123648714.db2.gz AKZJVPBVBLBHAF-INMHGKMJSA-N 0 1 276.424 3.670 20 0 CHADMN CC(C)c1cc(C(=O)Nc2cc(Cl)c(O)cc2F)on1 ZINC000335902960 1123650498 /nfs/dbraw/zinc/65/04/98/1123650498.db2.gz OAZKRDGGBCDWTA-UHFFFAOYSA-N 0 1 298.701 3.548 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2ncccc2C(F)(F)F)C1 ZINC000157991896 1129136073 /nfs/dbraw/zinc/13/60/73/1129136073.db2.gz DAOBRAHIQYPUJN-PHIMTYICSA-N 0 1 272.314 3.578 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@@H](C)c1ccns1)CCC2 ZINC000858576447 1123663756 /nfs/dbraw/zinc/66/37/56/1123663756.db2.gz KMXSVWBHZQDDNF-WPRPVWTQSA-N 0 1 279.434 3.636 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccns2)c(C)c1 ZINC000858576087 1123663875 /nfs/dbraw/zinc/66/38/75/1123663875.db2.gz HUZKPWIRSXLSSP-NEPJUHHUSA-N 0 1 276.405 3.872 20 0 CHADMN COc1ccsc1[C@H](C)N[C@H](C)c1ccns1 ZINC000858577840 1123664661 /nfs/dbraw/zinc/66/46/61/1123664661.db2.gz RKSGMVVWJRRRNS-BDAKNGLRSA-N 0 1 268.407 3.625 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@@H](C)c2ccns2)c1 ZINC000858577481 1123664807 /nfs/dbraw/zinc/66/48/07/1123664807.db2.gz QFMPKZQKHMZQLO-NEPJUHHUSA-N 0 1 276.405 3.954 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccns2)c(C)n1 ZINC000858577911 1123664835 /nfs/dbraw/zinc/66/48/35/1123664835.db2.gz SLAYCVXSCVOVED-NWDGAFQWSA-N 0 1 261.394 3.567 20 0 CHADMN C[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccns1 ZINC000858577254 1123665104 /nfs/dbraw/zinc/66/51/04/1123665104.db2.gz JSUWNHJSOWELJL-RNCFNFMXSA-N 0 1 262.353 3.620 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1ccns1 ZINC000858578704 1123665864 /nfs/dbraw/zinc/66/58/64/1123665864.db2.gz QTOJZSJCLMONNF-SMDDNHRTSA-N 0 1 258.390 3.790 20 0 CHADMN CCc1cnc(CN2CCC[C@](C)(CC)C2)s1 ZINC000346145742 1123667111 /nfs/dbraw/zinc/66/71/11/1123667111.db2.gz DKYLTDJZTKCTFA-AWEZNQCLSA-N 0 1 252.427 3.718 20 0 CHADMN Cc1ccccc1CN(Cc1ccc(F)cn1)C1CC1 ZINC000346242859 1123674442 /nfs/dbraw/zinc/67/44/42/1123674442.db2.gz PHCSDQKGRIEZGW-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN CCc1cnc(CN2C[C@H](C)CC(C)(C)C2)s1 ZINC000346316534 1123679995 /nfs/dbraw/zinc/67/99/95/1123679995.db2.gz ANHSOIWKLRXCPC-LLVKDONJSA-N 0 1 252.427 3.574 20 0 CHADMN CC[C@H](OC(=O)Cc1n[nH]c2c1CCCC2)c1ccccc1 ZINC000777081484 1123680242 /nfs/dbraw/zinc/68/02/42/1123680242.db2.gz QNQBBAKZSJSXQT-KRWDZBQOSA-N 0 1 298.386 3.526 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000346351555 1123680607 /nfs/dbraw/zinc/68/06/07/1123680607.db2.gz PFMHEPMDWYKQKN-CQSZACIVSA-N 0 1 283.375 3.501 20 0 CHADMN COc1ccc([C@H]2CCCN2Cc2ccnc(F)c2)cc1 ZINC000859063807 1123682741 /nfs/dbraw/zinc/68/27/41/1123682741.db2.gz AVPDSHQOPGSUQV-MRXNPFEDSA-N 0 1 286.350 3.566 20 0 CHADMN CCN(Cc1ccnc(F)c1)[C@@H](C)c1cccc(OC)c1 ZINC000859090510 1123683076 /nfs/dbraw/zinc/68/30/76/1123683076.db2.gz RWUWSKIGWDHASS-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN CC(C)N(Cc1ccc(F)cc1)Cc1ccnc(F)c1 ZINC000859097196 1123684560 /nfs/dbraw/zinc/68/45/60/1123684560.db2.gz MNKIUBXBVQVCRU-UHFFFAOYSA-N 0 1 276.330 3.770 20 0 CHADMN Cc1ccccc1CN(Cc1ccnc(F)c1)C1CC1 ZINC000859096413 1123684618 /nfs/dbraw/zinc/68/46/18/1123684618.db2.gz PCDYRIBHZDNQEE-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN C[C@H](N[C@@H](c1cccnc1)c1ccc(F)cc1F)C1CC1 ZINC000346469411 1123687763 /nfs/dbraw/zinc/68/77/63/1123687763.db2.gz BLSOQNGWGYFYJX-GTNSWQLSSA-N 0 1 288.341 3.837 20 0 CHADMN Fc1cc(CN(C2CC2)[C@@H]2CCc3ccccc32)ccn1 ZINC000859173495 1123688914 /nfs/dbraw/zinc/68/89/14/1123688914.db2.gz UGITVRRZMKECHS-QGZVFWFLSA-N 0 1 282.362 3.873 20 0 CHADMN COc1cc2c(cc1F)CC[C@@H]2N[C@H](C)c1ccccn1 ZINC000281286106 1123694214 /nfs/dbraw/zinc/69/42/14/1123694214.db2.gz QCMGYBRPSSDCBO-BZNIZROVSA-N 0 1 286.350 3.567 20 0 CHADMN CCS[C@H]1CCCC[C@@H]1NCc1ncc(Cl)s1 ZINC000346583422 1123697413 /nfs/dbraw/zinc/69/74/13/1123697413.db2.gz WLOJDKPWACFFTK-UWVGGRQHSA-N 0 1 290.885 3.950 20 0 CHADMN CN(Cc1ccc[nH]1)Cc1ccc2ccccc2c1 ZINC000354025394 1123697922 /nfs/dbraw/zinc/69/79/22/1123697922.db2.gz CVKHBMQWXGCQHM-UHFFFAOYSA-N 0 1 250.345 3.800 20 0 CHADMN CCOc1cccc(CNc2ccc3nc[nH]c3c2)c1 ZINC000346647655 1123700966 /nfs/dbraw/zinc/70/09/66/1123700966.db2.gz NXIFTJXUDFAWEA-UHFFFAOYSA-N 0 1 267.332 3.574 20 0 CHADMN CC1(C)C[C@@H]1N[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000346642316 1123704147 /nfs/dbraw/zinc/70/41/47/1123704147.db2.gz SMTVZYLINSXMMD-JKSUJKDBSA-N 0 1 270.351 3.698 20 0 CHADMN CCOc1ccc(CNc2ccc3nc[nH]c3c2)cc1 ZINC000346658172 1123704808 /nfs/dbraw/zinc/70/48/08/1123704808.db2.gz HYNAMFHWADDADY-UHFFFAOYSA-N 0 1 267.332 3.574 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000859812531 1123710780 /nfs/dbraw/zinc/71/07/80/1123710780.db2.gz QUFOJIHOPLVXGT-XHSDSOJGSA-N 0 1 293.451 3.802 20 0 CHADMN Cc1nn(C(C)C)cc1CNC1(c2cccc(F)c2)CC1 ZINC000281502440 1123713124 /nfs/dbraw/zinc/71/31/24/1123713124.db2.gz WTWUOXJNXCUHNX-UHFFFAOYSA-N 0 1 287.382 3.690 20 0 CHADMN Cc1nc([C@H](C)NCCCNc2ccccc2F)cs1 ZINC000346858940 1123727203 /nfs/dbraw/zinc/72/72/03/1123727203.db2.gz HFWVMKXOCGLVDO-NSHDSACASA-N 0 1 293.411 3.743 20 0 CHADMN CC(C)(C)CCCC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000346871536 1123729155 /nfs/dbraw/zinc/72/91/55/1123729155.db2.gz AEWOMDKDZMAJHU-UHFFFAOYSA-N 0 1 286.379 3.627 20 0 CHADMN Fc1cncc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000346970539 1123738077 /nfs/dbraw/zinc/73/80/77/1123738077.db2.gz AAGDKCLYRJPOQK-SFHVURJKSA-N 0 1 282.362 3.873 20 0 CHADMN Fc1cncc(CN(C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000346970539 1123738079 /nfs/dbraw/zinc/73/80/79/1123738079.db2.gz AAGDKCLYRJPOQK-SFHVURJKSA-N 0 1 282.362 3.873 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1cnccc1C ZINC000281805212 1123746206 /nfs/dbraw/zinc/74/62/06/1123746206.db2.gz VPXWROWDWQBGLJ-ZDUSSCGKSA-N 0 1 272.417 3.963 20 0 CHADMN Cc1ccccc1C[C@@H](C)C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000860865596 1123754369 /nfs/dbraw/zinc/75/43/69/1123754369.db2.gz MHNYYDVMCWJQQY-CYBMUJFWSA-N 0 1 298.386 3.518 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1cncc(F)c1 ZINC000281949573 1123757046 /nfs/dbraw/zinc/75/70/46/1123757046.db2.gz IMQNNAXRENJGJK-LLVKDONJSA-N 0 1 276.380 3.793 20 0 CHADMN Fc1cncc(CN[C@H]2CCSc3ccccc32)c1 ZINC000336304445 1123758786 /nfs/dbraw/zinc/75/87/86/1123758786.db2.gz MLJFPTAQESOLHV-AWEZNQCLSA-N 0 1 274.364 3.547 20 0 CHADMN CC(C)c1ccc(NC(=O)CN2CCCC[C@H]2C)cc1 ZINC000007486552 1123774585 /nfs/dbraw/zinc/77/45/85/1123774585.db2.gz XPLRMNDSJREMRS-CQSZACIVSA-N 0 1 274.408 3.623 20 0 CHADMN Cc1nocc1CN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000648074773 1123777736 /nfs/dbraw/zinc/77/77/36/1123777736.db2.gz LASDTYBZKBKWTH-QGZVFWFLSA-N 0 1 280.371 3.876 20 0 CHADMN CCC(CC)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000042336632 1123781898 /nfs/dbraw/zinc/78/18/98/1123781898.db2.gz YRCHQPZOTKUAGD-NWDGAFQWSA-N 0 1 296.842 3.684 20 0 CHADMN CCN(Cc1csc(-c2ccc(C)o2)n1)C(C)C ZINC000339031666 1123784639 /nfs/dbraw/zinc/78/46/39/1123784639.db2.gz PNVQDVLOBIFXTD-UHFFFAOYSA-N 0 1 264.394 3.942 20 0 CHADMN CCCCCCN(C)Cc1nc(-c2cccs2)no1 ZINC000118605078 1123787348 /nfs/dbraw/zinc/78/73/48/1123787348.db2.gz OHOKJEOMYGRYFI-UHFFFAOYSA-N 0 1 279.409 3.810 20 0 CHADMN C[C@H](NCCOc1ccccc1)c1c(F)cccc1F ZINC000042895602 1123789161 /nfs/dbraw/zinc/78/91/61/1123789161.db2.gz VKGLPTPXHIJERO-LBPRGKRZSA-N 0 1 277.314 3.694 20 0 CHADMN Cc1c(CN2Cc3ccccc3[C@@H](C)C2)ccnc1F ZINC000862212579 1123793358 /nfs/dbraw/zinc/79/33/58/1123793358.db2.gz IQSVJOKQIJCURT-LBPRGKRZSA-N 0 1 270.351 3.648 20 0 CHADMN CN(C)Cc1ccc(NC[C@@]2(C)CCCS2)cc1F ZINC000862261861 1123795974 /nfs/dbraw/zinc/79/59/74/1123795974.db2.gz GPRJITTZVWLZMD-OAHLLOKOSA-N 0 1 282.428 3.585 20 0 CHADMN CC[C@]1(CO)CCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000475128927 1123796254 /nfs/dbraw/zinc/79/62/54/1123796254.db2.gz OGHDNUBNMSIXPD-CQSZACIVSA-N 0 1 288.218 3.730 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccnc(F)c2C)cc1F ZINC000862264245 1123796622 /nfs/dbraw/zinc/79/66/22/1123796622.db2.gz JWYCNZXZEWFYAR-LLVKDONJSA-N 0 1 292.329 3.528 20 0 CHADMN COc1ccccc1C(C)(C)NCc1ccnc(F)c1C ZINC000862275535 1123797531 /nfs/dbraw/zinc/79/75/31/1123797531.db2.gz CKAGQEFDUISCBQ-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN Cc1c(F)nccc1CNC1(c2cccc(Cl)c2)CC1 ZINC000862280416 1123797995 /nfs/dbraw/zinc/79/79/95/1123797995.db2.gz IFKYNPUXAVVDOB-UHFFFAOYSA-N 0 1 290.769 3.961 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccnc(F)c2C)ccc1F ZINC000862284008 1123798023 /nfs/dbraw/zinc/79/80/23/1123798023.db2.gz CTAXKHUIDYRDED-GFCCVEGCSA-N 0 1 276.330 3.827 20 0 CHADMN Cc1nc2ccccn2c1C[N@H+](C)[C@H](C)c1cccs1 ZINC000158511416 1129146163 /nfs/dbraw/zinc/14/61/63/1129146163.db2.gz WBOYIKZMHVLAAP-CYBMUJFWSA-N 0 1 285.416 3.897 20 0 CHADMN Cc1nc2ccccn2c1CN(C)[C@H](C)c1cccs1 ZINC000158511416 1129146166 /nfs/dbraw/zinc/14/61/66/1129146166.db2.gz WBOYIKZMHVLAAP-CYBMUJFWSA-N 0 1 285.416 3.897 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1ccnc(F)c1C ZINC000862368561 1123804849 /nfs/dbraw/zinc/80/48/49/1123804849.db2.gz JCARUDVONGQUAF-OAHLLOKOSA-N 0 1 273.355 3.507 20 0 CHADMN FC(F)(F)c1ccc(CN2CCOC3(CCCC3)C2)cc1 ZINC000532538397 1123805756 /nfs/dbraw/zinc/80/57/56/1123805756.db2.gz WZBNTYWDABEERA-UHFFFAOYSA-N 0 1 299.336 3.850 20 0 CHADMN CC(C)[C@@H](C)N(C)Cc1sccc1Br ZINC000043560095 1123824177 /nfs/dbraw/zinc/82/41/77/1123824177.db2.gz ODFDSXYBGJEFMC-SECBINFHSA-N 0 1 276.243 3.987 20 0 CHADMN Fc1ccc([C@@H]2CCCCN2C[C@H]2CCCO2)c(F)c1 ZINC000339045065 1123830797 /nfs/dbraw/zinc/83/07/97/1123830797.db2.gz PIKCHAGKULHPRQ-CJNGLKHVSA-N 0 1 281.346 3.671 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1CC1=Cc2ccccc2OC1 ZINC000475271303 1123832285 /nfs/dbraw/zinc/83/22/85/1123832285.db2.gz CCMVGDNIHUHDLL-RISCZKNCSA-N 0 1 297.320 3.735 20 0 CHADMN CC1(C)CCC(C)(NC(=O)Cc2[nH]nc3ccccc32)CC1 ZINC000862964812 1123837183 /nfs/dbraw/zinc/83/71/83/1123837183.db2.gz ATTLTNXQFXVEDL-UHFFFAOYSA-N 0 1 299.418 3.581 20 0 CHADMN C[C@@H](NC[C@H](C)C(F)(F)F)c1nc2c(s1)CCCC2 ZINC000475321299 1123837389 /nfs/dbraw/zinc/83/73/89/1123837389.db2.gz YDMQZOGCWVPSQI-DTWKUNHWSA-N 0 1 292.370 3.871 20 0 CHADMN CC(C)SCSc1nc(Cc2ccccc2)n[nH]1 ZINC000863329851 1123861301 /nfs/dbraw/zinc/86/13/01/1123861301.db2.gz UQWMKXXQDFHWHI-UHFFFAOYSA-N 0 1 279.434 3.587 20 0 CHADMN Cc1ccc(CNCc2sccc2Cl)cc1 ZINC000192979414 1123868043 /nfs/dbraw/zinc/86/80/43/1123868043.db2.gz UIXBQRFUNCXMOP-UHFFFAOYSA-N 0 1 251.782 4.000 20 0 CHADMN Cc1ccc([C@H](O)CNc2ccnc3cc(F)ccc32)cc1 ZINC000301266078 1123886169 /nfs/dbraw/zinc/88/61/69/1123886169.db2.gz MHRUUSUTEYYIRJ-GOSISDBHSA-N 0 1 296.345 3.828 20 0 CHADMN CCOCOc1ccc(CNc2ccc3c[nH]nc3c2)cc1 ZINC000864043500 1123912527 /nfs/dbraw/zinc/91/25/27/1123912527.db2.gz PNQPMTXCAUTIHT-UHFFFAOYSA-N 0 1 297.358 3.548 20 0 CHADMN CC1(CC(F)F)CN(c2ccncc2C(F)(F)F)C1 ZINC000864092547 1123916812 /nfs/dbraw/zinc/91/68/12/1123916812.db2.gz ZIKMGGRMJNQCCT-UHFFFAOYSA-N 0 1 280.240 3.582 20 0 CHADMN Cc1nc(C)c(CN[C@H](C)c2ccnc(Cl)c2)s1 ZINC000119863133 1123917735 /nfs/dbraw/zinc/91/77/35/1123917735.db2.gz OUQJMHKGGVNURQ-MRVPVSSYSA-N 0 1 281.812 3.659 20 0 CHADMN Cc1ccc(O[C@H](C)CNc2cc(C)ccn2)cc1 ZINC000301620852 1123917999 /nfs/dbraw/zinc/91/79/99/1123917999.db2.gz FDDOWUIGIMGMRU-CQSZACIVSA-N 0 1 256.349 3.578 20 0 CHADMN Cc1ccnc(NCCCc2c[nH]c3ccccc23)c1 ZINC000301644887 1123920466 /nfs/dbraw/zinc/92/04/66/1123920466.db2.gz NLSRDBADXUXPRN-UHFFFAOYSA-N 0 1 265.360 3.916 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)/C(C)=C(\C)CC)c1 ZINC000794611312 1123922811 /nfs/dbraw/zinc/92/28/11/1123922811.db2.gz ZEVAOYHPOXHKFY-ZHACJKMWSA-N 0 1 275.348 3.670 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)/C(C)=C\C(C)(C)C)c1 ZINC000794624918 1123923060 /nfs/dbraw/zinc/92/30/60/1123923060.db2.gz SCORDLUYVXLQEF-KHPPLWFESA-N 0 1 289.375 3.916 20 0 CHADMN OC1(CNc2ccnc3cc(C(F)(F)F)ccc32)CCC1 ZINC000301773442 1123931704 /nfs/dbraw/zinc/93/17/04/1123931704.db2.gz FMAMIMBUMZQWLF-UHFFFAOYSA-N 0 1 296.292 3.581 20 0 CHADMN Cc1cccc(CN(C)Cc2cncc(Cl)c2)c1 ZINC000621248446 1129154146 /nfs/dbraw/zinc/15/41/46/1129154146.db2.gz KGSCIWYYPKDLDX-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1cc(N(C)CC2CCOCC2)c2cc(F)ccc2n1 ZINC000301971251 1123947178 /nfs/dbraw/zinc/94/71/78/1123947178.db2.gz SEOFZZJACZDHOP-UHFFFAOYSA-N 0 1 288.366 3.545 20 0 CHADMN C/C(=C/C1CCC(C)CC1)C(=O)Nc1c(C)n[nH]c1C ZINC000864899800 1123950041 /nfs/dbraw/zinc/95/00/41/1123950041.db2.gz QPTMNNXWPBEGIY-LUAWRHEFSA-N 0 1 275.396 3.738 20 0 CHADMN Cc1cc2ccccc2c(NCCCOC(C)C)n1 ZINC000302069378 1123953006 /nfs/dbraw/zinc/95/30/06/1123953006.db2.gz UBKVMDSQHMLFPH-UHFFFAOYSA-N 0 1 258.365 3.770 20 0 CHADMN Cc1cnc(NC[C@@H](c2ccco2)N2CCCCC2)s1 ZINC000302185931 1123960678 /nfs/dbraw/zinc/96/06/78/1123960678.db2.gz UFUBHRVJQUTFJB-ZDUSSCGKSA-N 0 1 291.420 3.684 20 0 CHADMN CCC[C@@H](NCc1cccnc1F)c1ccsc1 ZINC000794828747 1123962355 /nfs/dbraw/zinc/96/23/55/1123962355.db2.gz NVXHVFIZKIHCOA-CYBMUJFWSA-N 0 1 264.369 3.913 20 0 CHADMN CC(C)[C@@H](NCc1cccnc1F)c1ccc(F)c(F)c1 ZINC000794830589 1123962533 /nfs/dbraw/zinc/96/25/33/1123962533.db2.gz YNAJRDGNSJOMKL-OAHLLOKOSA-N 0 1 294.320 3.986 20 0 CHADMN Cc1cccc(NCC2(c3ccc(F)cc3F)CC2)n1 ZINC000302235224 1123963110 /nfs/dbraw/zinc/96/31/10/1123963110.db2.gz HXERVTAUSCDSDU-UHFFFAOYSA-N 0 1 274.314 3.812 20 0 CHADMN Cc1cc([C@H](C)NCc2cccnc2F)cc(C)c1F ZINC000794830935 1123963515 /nfs/dbraw/zinc/96/35/15/1123963515.db2.gz AESQGRNTQOTVJG-LBPRGKRZSA-N 0 1 276.330 3.827 20 0 CHADMN Cc1cc(NCC2(CO)CCCC2)c2cc(F)ccc2n1 ZINC000302240769 1123964467 /nfs/dbraw/zinc/96/44/67/1123964467.db2.gz IAQZJXKTYQNBQS-UHFFFAOYSA-N 0 1 288.366 3.647 20 0 CHADMN Cc1cccc(NCCCc2c[nH]c3ccccc23)n1 ZINC000302245919 1123964974 /nfs/dbraw/zinc/96/49/74/1123964974.db2.gz SSAHRMICMHTRSU-UHFFFAOYSA-N 0 1 265.360 3.916 20 0 CHADMN CC1(C)C[C@H](NCc2cccnc2F)c2ccccc21 ZINC000794832951 1123966457 /nfs/dbraw/zinc/96/64/57/1123966457.db2.gz FGRLTMIFSPBANP-HNNXBMFYSA-N 0 1 270.351 3.733 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](Nc1ncnc3[nH]cnc31)CC2 ZINC000302453576 1123968479 /nfs/dbraw/zinc/96/84/79/1123968479.db2.gz SNUIOPPGQYECDZ-AWEZNQCLSA-N 0 1 293.374 3.576 20 0 CHADMN CN(CCCCc1cccc(Cl)c1)Cc1cnccn1 ZINC000621261220 1129156691 /nfs/dbraw/zinc/15/66/91/1129156691.db2.gz IPSWFGWQJWDLGG-UHFFFAOYSA-N 0 1 289.810 3.585 20 0 CHADMN Fc1ncccc1CN[C@H]1CCc2ccc(Cl)cc21 ZINC000794836049 1123970771 /nfs/dbraw/zinc/97/07/71/1123970771.db2.gz NDQJKWPDKPHMOK-AWEZNQCLSA-N 0 1 276.742 3.651 20 0 CHADMN CO[C@@H]1CN(c2cc(C)nc3ccc(F)cc32)CC[C@@H]1C ZINC000302566803 1123973289 /nfs/dbraw/zinc/97/32/89/1123973289.db2.gz OWPZSHSNEWUFMQ-APPDUMDISA-N 0 1 288.366 3.544 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCOCC(C)C)n2)o1 ZINC000865351128 1123973301 /nfs/dbraw/zinc/97/33/01/1123973301.db2.gz XEWRCFPLVQXJGR-SREVYHEPSA-N 0 1 293.392 3.599 20 0 CHADMN Cc1cc(Nc2cc3cn[nH]c3cc2C)nc(C(C)C)n1 ZINC000302727079 1123980295 /nfs/dbraw/zinc/98/02/95/1123980295.db2.gz PUEDKXXMXPEESC-UHFFFAOYSA-N 0 1 281.363 3.837 20 0 CHADMN Fc1cc(CN[C@H]2CCCc3occc32)cnc1Cl ZINC000865412594 1123982099 /nfs/dbraw/zinc/98/20/99/1123982099.db2.gz QVZAHSGJDOCDMQ-LBPRGKRZSA-N 0 1 280.730 3.634 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2cncc(Cl)c2)cc1 ZINC000621273054 1129158775 /nfs/dbraw/zinc/15/87/75/1129158775.db2.gz LOHHSWKMUWSLHP-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN FC(F)(F)c1cnccc1N1CCC[C@@H]1c1ccccn1 ZINC000865462940 1123986089 /nfs/dbraw/zinc/98/60/89/1123986089.db2.gz RKWQGUMVICIWAU-CQSZACIVSA-N 0 1 293.292 3.837 20 0 CHADMN Fc1ncccc1CNCc1ccc(CC(F)(F)F)cc1 ZINC000865549767 1123994380 /nfs/dbraw/zinc/99/43/80/1123994380.db2.gz VHHOTZXTPLNFHI-UHFFFAOYSA-N 0 1 298.283 3.615 20 0 CHADMN FC1(F)CCC[C@@H]1CNCc1c(Cl)cncc1Cl ZINC000865589224 1123996837 /nfs/dbraw/zinc/99/68/37/1123996837.db2.gz DFGYMZRQLCQZJN-MRVPVSSYSA-N 0 1 295.160 3.913 20 0 CHADMN Cc1cc([C@@H](C)NCc2n[nH]c(C(C)C)n2)cc(C)c1F ZINC000428355090 1124000134 /nfs/dbraw/zinc/00/01/34/1124000134.db2.gz NQSYJAATXDAYLB-GFCCVEGCSA-N 0 1 290.386 3.535 20 0 CHADMN Clc1cncc(Cl)c1CNCCCc1ccco1 ZINC000865632352 1124001211 /nfs/dbraw/zinc/00/12/11/1124001211.db2.gz ONWONNMMFRTYTO-UHFFFAOYSA-N 0 1 285.174 3.704 20 0 CHADMN CC(C)c1ncc(CN[C@@H]2CCCC[C@@H]2F)s1 ZINC000865699697 1124007092 /nfs/dbraw/zinc/00/70/92/1124007092.db2.gz ZGALJGQBQHOULM-NWDGAFQWSA-N 0 1 256.390 3.637 20 0 CHADMN Fc1cc(CNCc2cnc(C3CCCC3)s2)ccn1 ZINC000865722938 1124007520 /nfs/dbraw/zinc/00/75/20/1124007520.db2.gz SGFWUFPDUBVGOR-UHFFFAOYSA-N 0 1 291.395 3.625 20 0 CHADMN CCc1cc(CN(C)Cc2cccnc2)ccc1Cl ZINC001237734880 1129160326 /nfs/dbraw/zinc/16/03/26/1129160326.db2.gz BHZMSTWDIQXSHH-UHFFFAOYSA-N 0 1 274.795 3.929 20 0 CHADMN CCC(CC)(CNCc1cn2ccccc2n1)C(F)(F)F ZINC000865757168 1124011586 /nfs/dbraw/zinc/01/15/86/1124011586.db2.gz LCMPECXUMMPBSK-UHFFFAOYSA-N 0 1 299.340 3.793 20 0 CHADMN C[C@@H](c1ccc2c(c1)CCC2)[N@@H+](C)Cc1ccco1 ZINC000487499445 1124014891 /nfs/dbraw/zinc/01/48/91/1124014891.db2.gz LSMQAMNGWARQGH-ZDUSSCGKSA-N 0 1 255.361 3.961 20 0 CHADMN FCCOc1ccccc1NCc1[nH]nc2ccccc21 ZINC001202519787 1124015693 /nfs/dbraw/zinc/01/56/93/1124015693.db2.gz KGLQYZYUXXNXJY-UHFFFAOYSA-N 0 1 285.322 3.523 20 0 CHADMN Fc1ccc(F)c(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000865832160 1124018416 /nfs/dbraw/zinc/01/84/16/1124018416.db2.gz JIMCWNVVZDGPIO-DGCLKSJQSA-N 0 1 291.263 3.952 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)s1)c1cn[nH]c1 ZINC000717943899 1129163656 /nfs/dbraw/zinc/16/36/56/1129163656.db2.gz KHFCEEJTYFWWNX-SFYZADRCSA-N 0 1 289.326 3.902 20 0 CHADMN CCc1ccc(CNCc2noc3cc(F)ccc32)s1 ZINC000865836467 1124019390 /nfs/dbraw/zinc/01/93/90/1124019390.db2.gz HBPQMZWHIZIBCU-UHFFFAOYSA-N 0 1 290.363 3.881 20 0 CHADMN CC(C)c1cnc(CNC2([C@@H]3CCCCO3)CCC2)s1 ZINC000865855795 1124021767 /nfs/dbraw/zinc/02/17/67/1124021767.db2.gz BGIZGRBZUHKEQT-AWEZNQCLSA-N 0 1 294.464 3.848 20 0 CHADMN CC(C)(C)[C@@H]1CCCC[C@H]1NCc1noc(C2CC2)n1 ZINC000108367259 1124026040 /nfs/dbraw/zinc/02/60/40/1124026040.db2.gz WKQJBEJOTHWZQY-CHWSQXEVSA-N 0 1 277.412 3.642 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccccc2)c(F)c1OC ZINC000885894461 1124027398 /nfs/dbraw/zinc/02/73/98/1124027398.db2.gz VFURSSCMAYNPFB-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN Clc1cncc(CN2CCC[C@H](c3ccccn3)C2)c1 ZINC000621297385 1129161923 /nfs/dbraw/zinc/16/19/23/1129161923.db2.gz MJQVCHPTCHZTRP-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccncc1F)CCC2 ZINC000336225923 1124042794 /nfs/dbraw/zinc/04/27/94/1124042794.db2.gz CVDROGLIFUFAIQ-MRXNPFEDSA-N 0 1 274.314 3.527 20 0 CHADMN CCC(CC)c1cc(CNC2CC(SC)C2)on1 ZINC000925157298 1124044867 /nfs/dbraw/zinc/04/48/67/1124044867.db2.gz QJWRHGBDWJJJHH-UHFFFAOYSA-N 0 1 268.426 3.562 20 0 CHADMN COCC(C)(C)NCc1nc(C2CCCCC2)cs1 ZINC000444619690 1124047362 /nfs/dbraw/zinc/04/73/62/1124047362.db2.gz KXHAXKSVKSOEFT-UHFFFAOYSA-N 0 1 282.453 3.705 20 0 CHADMN CCC(CC)CN(CC)Cc1nncn1-c1ccccc1 ZINC000444599590 1124047382 /nfs/dbraw/zinc/04/73/82/1124047382.db2.gz UPKMPQOTADGGCV-UHFFFAOYSA-N 0 1 286.423 3.525 20 0 CHADMN CCC(CC)n1ccc(CN[C@@H]2CC(C)(C)OC2(C)C)n1 ZINC000444648238 1124048652 /nfs/dbraw/zinc/04/86/52/1124048652.db2.gz XSICVTBNJVCNFI-OAHLLOKOSA-N 0 1 293.455 3.680 20 0 CHADMN CCN(Cc1nc(CC(C)C)no1)[C@@H]1CCCC[C@@H]1C ZINC000444661656 1124049258 /nfs/dbraw/zinc/04/92/58/1124049258.db2.gz LXRYDWAJLTZYHH-UONOGXRCSA-N 0 1 279.428 3.669 20 0 CHADMN C[C@H](N[C@@H](C)c1cc2c(ccnc2Cl)o1)c1cn[nH]c1 ZINC000866310061 1124050211 /nfs/dbraw/zinc/05/02/11/1124050211.db2.gz CKGFYBBGVVWUGU-IUCAKERBSA-N 0 1 290.754 3.616 20 0 CHADMN CC[C@H](N[C@H](C)c1ccc[nH]1)c1cccc(OC)c1OC ZINC000866309615 1124050526 /nfs/dbraw/zinc/05/05/26/1124050526.db2.gz AAWAECIULKIKMY-OCCSQVGLSA-N 0 1 288.391 3.834 20 0 CHADMN CC[C@H](NCc1nccnc1C)c1cccc(Cl)c1 ZINC000621329100 1129163245 /nfs/dbraw/zinc/16/32/45/1129163245.db2.gz PGLQRLAZQOUREJ-AWEZNQCLSA-N 0 1 275.783 3.679 20 0 CHADMN Fc1cccc(CCN2CC[C@H](CC(F)(F)F)C2)c1F ZINC000444706705 1124056251 /nfs/dbraw/zinc/05/62/51/1124056251.db2.gz MKNJADRDYIOXNH-SNVBAGLBSA-N 0 1 293.279 3.782 20 0 CHADMN COCC(C)(C)CCCN[C@H]1c2ccccc2OC[C@H]1F ZINC000866355919 1124056900 /nfs/dbraw/zinc/05/69/00/1124056900.db2.gz GQFZTZIMPPRRSX-ZBFHGGJFSA-N 0 1 295.398 3.501 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cccc3cccc1c32)c1ccn(C)n1 ZINC000866372511 1124059181 /nfs/dbraw/zinc/05/91/81/1124059181.db2.gz HSZMQPAVHSIEOW-FZKQIMNGSA-N 0 1 291.398 3.911 20 0 CHADMN CC(C)[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1ccccn1 ZINC000866389870 1124061467 /nfs/dbraw/zinc/06/14/67/1124061467.db2.gz PUJZWUYLJKAZML-SQNIBIBYSA-N 0 1 282.387 3.547 20 0 CHADMN CC(C)(C)c1nc(CN2CCCC23CCC3)cs1 ZINC000444789240 1124065252 /nfs/dbraw/zinc/06/52/52/1124065252.db2.gz CXYTZBUUQBYNEG-UHFFFAOYSA-N 0 1 264.438 3.959 20 0 CHADMN CCC(CC)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000475627590 1124081776 /nfs/dbraw/zinc/08/17/76/1124081776.db2.gz PWQBEXRIGKSDQX-LBPRGKRZSA-N 0 1 276.207 3.805 20 0 CHADMN COc1ccc([C@H](C)NCc2ccnc(F)c2)cc1Cl ZINC000866472521 1124069364 /nfs/dbraw/zinc/06/93/64/1124069364.db2.gz ASGGMKRNMWJQFM-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN Fc1cc(CN[C@H]2CCc3cc(F)c(Cl)cc32)ccn1 ZINC000866474487 1124069987 /nfs/dbraw/zinc/06/99/87/1124069987.db2.gz MTXKOVPITZRTDE-AWEZNQCLSA-N 0 1 294.732 3.790 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccnc(F)c1)CCCO2 ZINC000866474695 1124070543 /nfs/dbraw/zinc/07/05/43/1124070543.db2.gz ZSRGHFBPIAZZET-HNNXBMFYSA-N 0 1 286.350 3.533 20 0 CHADMN CCC(CC)(CN[C@H]1CCCn2ccnc21)C(F)(F)F ZINC000866506867 1124073987 /nfs/dbraw/zinc/07/39/87/1124073987.db2.gz RYCOJIKNPMGQMA-NSHDSACASA-N 0 1 289.345 3.676 20 0 CHADMN CC(F)(F)C(C)(C)CN[C@H]1c2ccccc2OC[C@H]1F ZINC000866545361 1124080732 /nfs/dbraw/zinc/08/07/32/1124080732.db2.gz FTLKISINUNWHHF-YPMHNXCESA-N 0 1 287.325 3.729 20 0 CHADMN CC(C)C[C@H](C)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000445456212 1124085523 /nfs/dbraw/zinc/08/55/23/1124085523.db2.gz NFCURGUZPMBFCO-HNNXBMFYSA-N 0 1 283.419 3.665 20 0 CHADMN CSc1ccc([C@@H](C)N[C@H](C)c2ccnn2C)cc1F ZINC000866612715 1124088350 /nfs/dbraw/zinc/08/83/50/1124088350.db2.gz MPHCLJBHZQXQQG-GHMZBOCLSA-N 0 1 293.411 3.693 20 0 CHADMN C[C@H](N[C@@H](C)c1ccnn1C)c1csc(Cl)c1 ZINC000866613954 1124088820 /nfs/dbraw/zinc/08/88/20/1124088820.db2.gz KDGXXLCPANTCAV-IUCAKERBSA-N 0 1 269.801 3.547 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccnn1C)c1cc(C)ccc1OC ZINC000866614619 1124089299 /nfs/dbraw/zinc/08/92/99/1124089299.db2.gz OLRJXMFXMSWRCD-UKRRQHHQSA-N 0 1 287.407 3.539 20 0 CHADMN Cc1nc([C@H](C)NC2([C@H]3CCCCO3)CCC2)c(C)s1 ZINC000866623232 1124091608 /nfs/dbraw/zinc/09/16/08/1124091608.db2.gz SHXDPNPJUWLQNI-SMDDNHRTSA-N 0 1 294.464 3.902 20 0 CHADMN CCOc1cncc(CNCc2ccc(C(F)F)cc2)c1 ZINC000621344533 1129165866 /nfs/dbraw/zinc/16/58/66/1129165866.db2.gz KHQIKYFBJDHGPG-UHFFFAOYSA-N 0 1 292.329 3.708 20 0 CHADMN CCCc1ccc(CN[C@H](CCO)c2ccco2)s1 ZINC000621344612 1129166118 /nfs/dbraw/zinc/16/61/18/1129166118.db2.gz NHVFLUKYALMUCA-CQSZACIVSA-N 0 1 279.405 3.507 20 0 CHADMN C[C@@H](CC1CC1)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000475634724 1124099013 /nfs/dbraw/zinc/09/90/13/1124099013.db2.gz KWDAWGRYVFOLGP-ZANVPECISA-N 0 1 288.218 3.805 20 0 CHADMN CCC[C@@H](C)N(C)Cc1ccn(-c2ccccc2F)n1 ZINC000445800400 1124100778 /nfs/dbraw/zinc/10/07/78/1124100778.db2.gz XYDALVCSWBVVGL-CYBMUJFWSA-N 0 1 275.371 3.632 20 0 CHADMN c1ncn(Cc2ccccc2)c1CN1CCC[C@H]2CCC[C@@H]21 ZINC000445811639 1124101923 /nfs/dbraw/zinc/10/19/23/1124101923.db2.gz RPARUNKTYBUKQU-MJGOQNOKSA-N 0 1 295.430 3.696 20 0 CHADMN CCc1ccccc1CN1CCO[C@@H](c2cccs2)C1 ZINC000445805409 1124102205 /nfs/dbraw/zinc/10/22/05/1124102205.db2.gz KDMQBPXZWNKNJM-MRXNPFEDSA-N 0 1 287.428 3.884 20 0 CHADMN CCOc1ccc(CN(Cc2cnoc2C)C(C)C)cc1 ZINC000445798716 1124102818 /nfs/dbraw/zinc/10/28/18/1124102818.db2.gz JSAHFFCPFMMJNQ-UHFFFAOYSA-N 0 1 288.391 3.792 20 0 CHADMN CC(C)n1ccnc1CN1CCCC2(CCCC2)C1 ZINC000445844613 1124104672 /nfs/dbraw/zinc/10/46/72/1124104672.db2.gz GGTSYLLXAUUZSM-UHFFFAOYSA-N 0 1 261.413 3.620 20 0 CHADMN CC1(C)CCCCN(Cc2nc(-c3ccsc3)no2)C1 ZINC000446069869 1124108645 /nfs/dbraw/zinc/10/86/45/1124108645.db2.gz XBXFEYZFGCZTOT-UHFFFAOYSA-N 0 1 291.420 3.810 20 0 CHADMN CCCCc1noc([C@H](C)N2CCCCC(C)(C)C2)n1 ZINC000446068992 1124108722 /nfs/dbraw/zinc/10/87/22/1124108722.db2.gz JHONYRHKNRJWSB-ZDUSSCGKSA-N 0 1 279.428 3.985 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2ccccc2Cl)C1 ZINC000086784184 1129166699 /nfs/dbraw/zinc/16/66/99/1129166699.db2.gz OBPKKXULEKZKMW-LRDDRELGSA-N 0 1 295.810 3.978 20 0 CHADMN CCc1nc(C)c(CN2C[C@H](C)C[C@@H]2c2cccnc2)o1 ZINC000428432406 1124109778 /nfs/dbraw/zinc/10/97/78/1124109778.db2.gz YRURQAFATMOKAF-IUODEOHRSA-N 0 1 285.391 3.524 20 0 CHADMN COc1ccc(CNCc2coc3ccccc23)cc1F ZINC000114508979 1124110155 /nfs/dbraw/zinc/11/01/55/1124110155.db2.gz DIJBUESECWBGFK-UHFFFAOYSA-N 0 1 285.318 3.870 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2cccc(Cl)c2)C1 ZINC000086783952 1129166798 /nfs/dbraw/zinc/16/67/98/1129166798.db2.gz RJHMOMXZSNRYBQ-BLLLJJGKSA-N 0 1 295.810 3.978 20 0 CHADMN Cc1cnccc1CN[C@H](C)c1ccccc1OC(F)F ZINC000228657141 1124111009 /nfs/dbraw/zinc/11/10/09/1124111009.db2.gz RMJJJGWWGCDRHR-GFCCVEGCSA-N 0 1 292.329 3.842 20 0 CHADMN Cc1nc(CN2CCC[C@H](C3CC3)C2)nc2ccccc12 ZINC000367308435 1124111739 /nfs/dbraw/zinc/11/17/39/1124111739.db2.gz PDZIUZFRYNFFGS-HNNXBMFYSA-N 0 1 281.403 3.560 20 0 CHADMN FCCNC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000621351360 1129166877 /nfs/dbraw/zinc/16/68/77/1129166877.db2.gz OYYSHGWEHZOLQS-UHFFFAOYSA-N 0 1 261.262 3.644 20 0 CHADMN CC(C)c1nc(CN(C)[C@@H](C)c2cc3ccccc3o2)n[nH]1 ZINC000428441120 1124113736 /nfs/dbraw/zinc/11/37/36/1124113736.db2.gz GTWCAVRLJGZBAX-LBPRGKRZSA-N 0 1 298.390 3.867 20 0 CHADMN CC[C@@H](C)N(Cc1n[nH]c(C(C)C)n1)Cc1ccccc1 ZINC000428446254 1124114794 /nfs/dbraw/zinc/11/47/94/1124114794.db2.gz IQULFIPCZPOLAX-CQSZACIVSA-N 0 1 286.423 3.729 20 0 CHADMN Cc1cc(Cl)cc(CN2CCSC[C@@H]2C)c1 ZINC000508569155 1124116525 /nfs/dbraw/zinc/11/65/25/1124116525.db2.gz MZJOQUZDFPDWRK-NSHDSACASA-N 0 1 255.814 3.586 20 0 CHADMN c1cc2ncnc(NCc3ccc4ccccc4c3)c2s1 ZINC000525190782 1124117660 /nfs/dbraw/zinc/11/76/60/1124117660.db2.gz PCTVDLIZAVYOON-UHFFFAOYSA-N 0 1 291.379 3.879 20 0 CHADMN CC(C)c1ccc(C[C@H](C)NCc2ccon2)cc1 ZINC000634974339 1129168475 /nfs/dbraw/zinc/16/84/75/1129168475.db2.gz YCMJZEWHEZPJRO-ZDUSSCGKSA-N 0 1 258.365 3.519 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2cn3cc(C)ccc3n2)C1 ZINC000525283535 1124121173 /nfs/dbraw/zinc/12/11/73/1124121173.db2.gz PUXPPQCWDJYTGU-KRWDZBQOSA-N 0 1 271.408 3.655 20 0 CHADMN CCCCc1nc(CN2CC[C@H](CC)C2)cs1 ZINC000446738950 1124121404 /nfs/dbraw/zinc/12/14/04/1124121404.db2.gz OMRKOEHZFCLBNG-LBPRGKRZSA-N 0 1 252.427 3.718 20 0 CHADMN CCC(CC)n1ccc(CN2CCC[C@@H](C)CC2)n1 ZINC000446766183 1124121539 /nfs/dbraw/zinc/12/15/39/1124121539.db2.gz HLKRYYCZRZTILK-CQSZACIVSA-N 0 1 263.429 3.866 20 0 CHADMN CC(C)(C)CCN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000446757615 1124121959 /nfs/dbraw/zinc/12/19/59/1124121959.db2.gz VDMWNTXYJLDODC-AWEZNQCLSA-N 0 1 257.381 3.525 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1Cc1nc(CC(C)C)no1 ZINC000525328199 1124122322 /nfs/dbraw/zinc/12/23/22/1124122322.db2.gz CXYMTOBHMPZCRE-UONOGXRCSA-N 0 1 279.428 3.669 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cccc2ncccc12 ZINC000634962187 1129167514 /nfs/dbraw/zinc/16/75/14/1129167514.db2.gz NHZVMCRPQGIQTN-LLVKDONJSA-N 0 1 281.359 3.690 20 0 CHADMN Brc1ccc(CN2CCCC23CCC3)o1 ZINC000446839933 1124125698 /nfs/dbraw/zinc/12/56/98/1124125698.db2.gz CMPOGMDDVMHYJQ-UHFFFAOYSA-N 0 1 270.170 3.561 20 0 CHADMN Cc1cnc([C@@H](C)NCc2cccc3ncccc23)s1 ZINC000634967495 1129167654 /nfs/dbraw/zinc/16/76/54/1129167654.db2.gz PRKZDIXYMFQECO-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN CC(C)CN(Cc1n[nH]c(C(C)C)n1)Cc1ccccc1 ZINC000428466020 1124131370 /nfs/dbraw/zinc/13/13/70/1124131370.db2.gz UPHCOFQEQSHUQT-UHFFFAOYSA-N 0 1 286.423 3.586 20 0 CHADMN Fc1cccc(F)c1C1(CNCc2ccon2)CCCC1 ZINC000634957411 1129167893 /nfs/dbraw/zinc/16/78/93/1129167893.db2.gz LMGLLSYUGXGBJV-UHFFFAOYSA-N 0 1 292.329 3.554 20 0 CHADMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1cccc(F)c1F ZINC000447075107 1124132494 /nfs/dbraw/zinc/13/24/94/1124132494.db2.gz BISYMZCOMYWYCI-UHFFFAOYSA-N 0 1 293.361 3.617 20 0 CHADMN Cc1ccccc1C[C@@H](C)N(C)Cc1ccn(C(F)F)n1 ZINC000447076141 1124132736 /nfs/dbraw/zinc/13/27/36/1124132736.db2.gz GVIXACHDJWLOCO-CYBMUJFWSA-N 0 1 293.361 3.650 20 0 CHADMN CCCN(Cc1ccc(COC)o1)Cc1ccc(F)cc1 ZINC000508584607 1124133034 /nfs/dbraw/zinc/13/30/34/1124133034.db2.gz YNLMJYQYWGKWCF-UHFFFAOYSA-N 0 1 291.366 3.977 20 0 CHADMN CCN1C(=O)N=NC1SCc1ccc(C2CCC2)cc1 ZINC000447119122 1124135001 /nfs/dbraw/zinc/13/50/01/1124135001.db2.gz ZQBRHMKEBDSHIW-UHFFFAOYSA-N 0 1 289.404 3.563 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1NCc1ccon1 ZINC000634980252 1129168778 /nfs/dbraw/zinc/16/87/78/1129168778.db2.gz AIVITJRPQVZZNN-UHFFFAOYSA-N 0 1 285.391 3.976 20 0 CHADMN FC(F)[C@H](NCC[C@H]1CCCCO1)C1CCCCC1 ZINC000621400720 1129172749 /nfs/dbraw/zinc/17/27/49/1129172749.db2.gz PYANPKDKIQLYQE-ZIAGYGMSSA-N 0 1 275.383 3.749 20 0 CHADMN FC(F)[C@H](NCCCCCn1cccn1)C1CCCCC1 ZINC000621403893 1129173835 /nfs/dbraw/zinc/17/38/35/1129173835.db2.gz BNSAXCHUMQWLBH-OAHLLOKOSA-N 0 1 299.409 3.857 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@H]3OCCC[C@H]3C2)c1Cl ZINC001238776575 1131244491 /nfs/dbraw/zinc/24/44/91/1131244491.db2.gz HWNXSRIDAYYNIZ-SWLSCSKDSA-N 0 1 297.801 3.788 20 0 CHADMN Cc1cc(F)cc(CN2CCC[C@]3(CCOC3)C2)c1Cl ZINC001238776070 1131245067 /nfs/dbraw/zinc/24/50/67/1131245067.db2.gz FKPVCELRWJAKTM-INIZCTEOSA-N 0 1 297.801 3.790 20 0 CHADMN COC[C@H]1CCCCN1Cc1c(C)cc(F)cc1Cl ZINC001238780415 1131245987 /nfs/dbraw/zinc/24/59/87/1131245987.db2.gz HIKCVBSINTVCOB-CYBMUJFWSA-N 0 1 285.790 3.788 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@@](C)(O)[C@@H](C)C1 ZINC001238781924 1131247028 /nfs/dbraw/zinc/24/70/28/1131247028.db2.gz XFEGUFCXWHJENH-BLLLJJGKSA-N 0 1 299.817 3.770 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@@H](OC(C)C)C2)c1Cl ZINC001238783795 1131248049 /nfs/dbraw/zinc/24/80/49/1131248049.db2.gz JUSMIMROBPIRGV-CQSZACIVSA-N 0 1 285.790 3.787 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CCC[C@@H]2C[C@@H]21 ZINC001238786745 1131248197 /nfs/dbraw/zinc/24/81/97/1131248197.db2.gz GOUGFBCANVEVLI-YGRLFVJLSA-N 0 1 253.748 3.772 20 0 CHADMN CC(C)Oc1cc(CN2CCC[C@@H](C)CC2)c(F)cn1 ZINC001238794285 1131249842 /nfs/dbraw/zinc/24/98/42/1131249842.db2.gz OTVNNQHNQPWTLF-CYBMUJFWSA-N 0 1 280.387 3.630 20 0 CHADMN CC(C)Oc1cc(CN2CCC[C@H](C)[C@@H]2C)c(F)cn1 ZINC001238804587 1131250041 /nfs/dbraw/zinc/25/00/41/1131250041.db2.gz PQMLANROALIPQL-STQMWFEESA-N 0 1 280.387 3.628 20 0 CHADMN CC(C)c1ccc(-c2ccnc(N3CCN(C)CC3)c2)cc1 ZINC001238821260 1131250097 /nfs/dbraw/zinc/25/00/97/1131250097.db2.gz JFULPTHJSOYMBS-UHFFFAOYSA-N 0 1 295.430 3.624 20 0 CHADMN CC(C)Oc1cc(CN2CCC[C@@H](C)[C@H]2C)c(F)cn1 ZINC001238804577 1131250148 /nfs/dbraw/zinc/25/01/48/1131250148.db2.gz PQMLANROALIPQL-CHWSQXEVSA-N 0 1 280.387 3.628 20 0 CHADMN CC1(C)CO[C@H](CN2CCc3cccc(Cl)c3C2)C1 ZINC001171006205 1131415552 /nfs/dbraw/zinc/41/55/52/1131415552.db2.gz CVEXRQODEARVSH-ZDUSSCGKSA-N 0 1 279.811 3.513 20 0 CHADMN FC(F)(F)c1ccncc1CNCc1cccn1C1CC1 ZINC001119340138 1131251376 /nfs/dbraw/zinc/25/13/76/1131251376.db2.gz SSIZHEKOGDLRMU-UHFFFAOYSA-N 0 1 295.308 3.527 20 0 CHADMN Clc1cccc2c1C[C@H](N1Cc3ccncc3C1)CC2 ZINC001170935690 1131259378 /nfs/dbraw/zinc/25/93/78/1131259378.db2.gz ULPKSYTVHOAISV-OAHLLOKOSA-N 0 1 284.790 3.608 20 0 CHADMN Cc1ccccc1[C@H]1CN(CCC2CCCC2)CCO1 ZINC000525637708 1124450584 /nfs/dbraw/zinc/45/05/84/1124450584.db2.gz ZNGCVUXVMKDDCD-GOSISDBHSA-N 0 1 273.420 3.949 20 0 CHADMN Cc1cccc(-c2noc(CN3CCC[C@@H](C)[C@H]3C)n2)c1 ZINC000525634666 1124451637 /nfs/dbraw/zinc/45/16/37/1124451637.db2.gz JJZRNPDQCQDEQU-ZIAGYGMSSA-N 0 1 285.391 3.665 20 0 CHADMN CCC1CCC([N@@H+](Cc2nnc(C(C)C)[nH]2)C2CC2)CC1 ZINC000428474984 1124459206 /nfs/dbraw/zinc/45/92/06/1124459206.db2.gz VCRRISWOBROWSJ-UHFFFAOYSA-N 0 1 290.455 3.861 20 0 CHADMN CCC1CCC(N(Cc2nnc(C(C)C)[nH]2)C2CC2)CC1 ZINC000428474984 1124459210 /nfs/dbraw/zinc/45/92/10/1124459210.db2.gz VCRRISWOBROWSJ-UHFFFAOYSA-N 0 1 290.455 3.861 20 0 CHADMN C[C@@H](NCCc1cc(Cl)cc(Cl)c1)c1ccon1 ZINC000447308886 1124461218 /nfs/dbraw/zinc/46/12/18/1124461218.db2.gz IRDLBZLYRKFKPI-SECBINFHSA-N 0 1 285.174 3.875 20 0 CHADMN C[C@@H]1CCCN(Cc2cncc(C(F)(F)F)c2)CC1 ZINC000361289268 1124466957 /nfs/dbraw/zinc/46/69/57/1124466957.db2.gz PZUCFSZWIATAHI-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN CCC[C@]1(COC)CCCN1Cc1ncc(C(C)(C)C)o1 ZINC000447382167 1124469328 /nfs/dbraw/zinc/46/93/28/1124469328.db2.gz IDPFVJYQDYALMG-QGZVFWFLSA-N 0 1 294.439 3.753 20 0 CHADMN Cc1oncc1CN1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000525835249 1124470621 /nfs/dbraw/zinc/47/06/21/1124470621.db2.gz DMVFHEGITNGMSJ-BDJLRTHQSA-N 0 1 274.339 3.705 20 0 CHADMN Cc1nc(C(C)C)ccc1CN[C@@H](C)c1cncc(F)c1 ZINC000339081157 1124472774 /nfs/dbraw/zinc/47/27/74/1124472774.db2.gz HROPZIRPECNAKK-LBPRGKRZSA-N 0 1 287.382 3.898 20 0 CHADMN Cc1cc(C)cc([C@@H]2CCN([C@@H](C)c3ncccn3)C2)c1 ZINC001119729642 1131262951 /nfs/dbraw/zinc/26/29/51/1131262951.db2.gz UOBCNCSKPWUUEJ-JKSUJKDBSA-N 0 1 281.403 3.644 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3C[C@@H]3[C@H]3C[C@H]3C)c2C)o1 ZINC000868858015 1124488795 /nfs/dbraw/zinc/48/87/95/1124488795.db2.gz GZGBIURHACSPKJ-GHORINQJSA-N 0 1 299.374 3.517 20 0 CHADMN FC1(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000525978171 1124490559 /nfs/dbraw/zinc/49/05/59/1124490559.db2.gz DKRQXESZTVQQBB-LBPRGKRZSA-N 0 1 294.439 3.703 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@H](C)CCSC ZINC000795094604 1124527093 /nfs/dbraw/zinc/52/70/93/1124527093.db2.gz OGPISIYTMQVGHL-SNVBAGLBSA-N 0 1 294.395 3.936 20 0 CHADMN CCCCN(CC)Cc1cnc(C(F)(F)F)s1 ZINC000447793670 1124527889 /nfs/dbraw/zinc/52/78/89/1124527889.db2.gz DVNZHLXJTVWYAM-UHFFFAOYSA-N 0 1 266.332 3.784 20 0 CHADMN CCCCc1nc(CN2CCCC[C@H]2C[C@@H](C)O)cs1 ZINC000447846463 1124531490 /nfs/dbraw/zinc/53/14/90/1124531490.db2.gz WPIIRRDZTGOQCR-HIFRSBDPSA-N 0 1 296.480 3.611 20 0 CHADMN Fc1ccc2nc([C@@H]3CCCN(CC4(F)CC4)C3)oc2c1 ZINC000526972258 1124533533 /nfs/dbraw/zinc/53/35/33/1124533533.db2.gz MBNQGQCGCZYWAE-LLVKDONJSA-N 0 1 292.329 3.648 20 0 CHADMN COc1ccc2cc(CN(C)CC3(F)CC3)ccc2c1 ZINC000526969621 1124533610 /nfs/dbraw/zinc/53/36/10/1124533610.db2.gz FWCNEDALUHQUFP-UHFFFAOYSA-N 0 1 273.351 3.782 20 0 CHADMN C[C@@H]1C[C@H](C)N1Cc1cnc(C2CCCC2)s1 ZINC000526989531 1124539445 /nfs/dbraw/zinc/53/94/45/1124539445.db2.gz OEIGYRDHWYNPCF-PHIMTYICSA-N 0 1 250.411 3.783 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2ccn(-c3ccccc3F)n2)C1 ZINC000527074487 1124549149 /nfs/dbraw/zinc/54/91/49/1124549149.db2.gz DPKIGAZQTYXOSC-ZIAGYGMSSA-N 0 1 287.382 3.632 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)Nc1cccc2c1CCCC2 ZINC000447963783 1124549905 /nfs/dbraw/zinc/54/99/05/1124549905.db2.gz KPURHZCMVHEGKX-UHFFFAOYSA-N 0 1 283.375 3.664 20 0 CHADMN Cc1cc(CNC[C@@H](C)c2cccc(Cl)c2)no1 ZINC000527361163 1124573231 /nfs/dbraw/zinc/57/32/31/1124573231.db2.gz JURJSXUBBYUCOF-SNVBAGLBSA-N 0 1 264.756 3.530 20 0 CHADMN CCC(CC)n1ccc(CN2C[C@H](C)C[C@H](C)C2)n1 ZINC000448518192 1124583215 /nfs/dbraw/zinc/58/32/15/1124583215.db2.gz AECZBAMVLGNJLO-OKILXGFUSA-N 0 1 263.429 3.722 20 0 CHADMN CCSc1cccc(CNCc2cn(CC)nc2C)c1 ZINC001120057656 1131271358 /nfs/dbraw/zinc/27/13/58/1131271358.db2.gz OCRNBSJKJVFNQP-UHFFFAOYSA-N 0 1 289.448 3.613 20 0 CHADMN CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000448622693 1124599365 /nfs/dbraw/zinc/59/93/65/1124599365.db2.gz AWSAWZIKWDKVKZ-DGCLKSJQSA-N 0 1 271.364 3.636 20 0 CHADMN CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000448980588 1124628635 /nfs/dbraw/zinc/62/86/35/1124628635.db2.gz BIRBAOYLKNWHDF-DOMZBBRYSA-N 0 1 298.390 3.627 20 0 CHADMN CCn1nnc(C)c1CN1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000449016447 1124629555 /nfs/dbraw/zinc/62/95/55/1124629555.db2.gz NLLKEWHRQVFWBA-KRWDZBQOSA-N 0 1 298.434 3.560 20 0 CHADMN Cc1ncc(CN(C)Cc2cccc3ccoc32)s1 ZINC000449014042 1124630151 /nfs/dbraw/zinc/63/01/51/1124630151.db2.gz GPBYZLMWUYYDFC-UHFFFAOYSA-N 0 1 272.373 3.830 20 0 CHADMN COc1ccc(-c2c[nH]cc3nc(C)nc2-3)cc1OC(C)C ZINC001238933928 1131273767 /nfs/dbraw/zinc/27/37/67/1131273767.db2.gz DSJZLHXMFHAVOC-UHFFFAOYSA-N 0 1 297.358 3.729 20 0 CHADMN COc1ccc(-c2cncc3[nH]c(C)nc32)cc1OC(C)C ZINC001238933928 1131273771 /nfs/dbraw/zinc/27/37/71/1131273771.db2.gz DSJZLHXMFHAVOC-UHFFFAOYSA-N 0 1 297.358 3.729 20 0 CHADMN CC(C)N(Cc1ccco1)Cc1cc2cccnc2o1 ZINC000449011213 1124633719 /nfs/dbraw/zinc/63/37/19/1124633719.db2.gz PJLKVWMNFXRZDM-UHFFFAOYSA-N 0 1 270.332 3.831 20 0 CHADMN Fc1cnccc1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000449034761 1124636494 /nfs/dbraw/zinc/63/64/94/1124636494.db2.gz KQZWQGJAFZHIMG-MRXNPFEDSA-N 0 1 260.356 3.543 20 0 CHADMN CCn1nnc(C)c1C[N@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000449030985 1124636781 /nfs/dbraw/zinc/63/67/81/1124636781.db2.gz TTWWTRCRTPBSLY-QGZVFWFLSA-N 0 1 298.434 3.560 20 0 CHADMN Fc1cccc(CCN(Cc2ccncc2F)C2CC2)c1 ZINC000449037183 1124638058 /nfs/dbraw/zinc/63/80/58/1124638058.db2.gz XLBSKPAVNOTELX-UHFFFAOYSA-N 0 1 288.341 3.567 20 0 CHADMN CC(=O)c1cccc(OC[C@H]2CCCC[N@@H+]2C(C)C)c1F ZINC000871802606 1124638247 /nfs/dbraw/zinc/63/82/47/1124638247.db2.gz KGOAYYLECDNJDM-CQSZACIVSA-N 0 1 293.382 3.670 20 0 CHADMN CC(=O)c1cccc(OC[C@H]2CCCCN2C(C)C)c1F ZINC000871802606 1124638252 /nfs/dbraw/zinc/63/82/52/1124638252.db2.gz KGOAYYLECDNJDM-CQSZACIVSA-N 0 1 293.382 3.670 20 0 CHADMN CC(C)Oc1ccc(CNCc2cc3cccnc3o2)cc1 ZINC000449075320 1124644974 /nfs/dbraw/zinc/64/49/74/1124644974.db2.gz MQKKVOUCIRTHQH-UHFFFAOYSA-N 0 1 296.370 3.905 20 0 CHADMN c1c2cccnc2oc1CNc1ccc2c(n1)CCCC2 ZINC000871864900 1124649272 /nfs/dbraw/zinc/64/92/72/1124649272.db2.gz OEZNCBAMMKLZER-UHFFFAOYSA-N 0 1 279.343 3.714 20 0 CHADMN CCC(CC)N(Cc1ncccc1Cl)C1CC1 ZINC000528366592 1124649397 /nfs/dbraw/zinc/64/93/97/1124649397.db2.gz HIPMXEYDJUXNNB-UHFFFAOYSA-N 0 1 252.789 3.888 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN1CCCC[C@](C)(F)C1 ZINC001142162829 1124653909 /nfs/dbraw/zinc/65/39/09/1124653909.db2.gz BZRXFKZDFIHDKJ-KRWDZBQOSA-N 0 1 295.446 3.969 20 0 CHADMN CC(C)[C@H]1CCc2[nH]n(-c3ccnc(Cl)c3)c(=O)c2C1 ZINC000871953154 1124653947 /nfs/dbraw/zinc/65/39/47/1124653947.db2.gz DDJUAYVRTRZBHJ-CMPLNLGQSA-N 0 1 291.782 3.510 20 0 CHADMN CC(C)[C@@H]1CCc2[nH]n(-c3ccnc(Cl)c3)c(=O)c2C1 ZINC000871953157 1124654081 /nfs/dbraw/zinc/65/40/81/1124654081.db2.gz DDJUAYVRTRZBHJ-ZYHUDNBSSA-N 0 1 291.782 3.510 20 0 CHADMN CC(C)CCc1cc(=O)n(Cc2cccc3cccnc32)[nH]1 ZINC000871946816 1124654962 /nfs/dbraw/zinc/65/49/62/1124654962.db2.gz YINSLNSMDAEEFL-UHFFFAOYSA-N 0 1 295.386 3.759 20 0 CHADMN CSc1ccc(-n2[nH]c(C3CCCC3)cc2=O)cc1 ZINC000871947809 1124654984 /nfs/dbraw/zinc/65/49/84/1124654984.db2.gz KHHCOODERVRHIX-UHFFFAOYSA-N 0 1 274.389 3.691 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(O)c1F)c1ccccc1 ZINC000872017312 1124656775 /nfs/dbraw/zinc/65/67/75/1124656775.db2.gz ZEBGQGATFPVGAT-NEPJUHHUSA-N 0 1 259.324 3.943 20 0 CHADMN Cc1nc(C2(NCC3CC(C)(C)C3)CCCCC2)no1 ZINC000528411641 1124657173 /nfs/dbraw/zinc/65/71/73/1124657173.db2.gz UUDLFWIIUZOMQH-UHFFFAOYSA-N 0 1 277.412 3.563 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cccc(O)c2F)cc1 ZINC000872018993 1124658273 /nfs/dbraw/zinc/65/82/73/1124658273.db2.gz RIHFBUKMRWPOJL-GFCCVEGCSA-N 0 1 259.324 3.691 20 0 CHADMN CO[C@@H](CN[C@H](C)c1cccc(O)c1F)c1ccccc1 ZINC000872023950 1124659655 /nfs/dbraw/zinc/65/96/55/1124659655.db2.gz LTOUVNFNTSUWCZ-WBMJQRKESA-N 0 1 289.350 3.570 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1cccc(O)c1F ZINC000872060909 1124670160 /nfs/dbraw/zinc/67/01/60/1124670160.db2.gz BFRULFNCEKWJQU-IUCAKERBSA-N 0 1 279.277 3.913 20 0 CHADMN COCc1ccc([C@H]2CCCN2C/C=C(/C)Cl)o1 ZINC000528449724 1124671743 /nfs/dbraw/zinc/67/17/43/1124671743.db2.gz DQRYGHXHBKFYNG-LWMSPQMPSA-N 0 1 269.772 3.706 20 0 CHADMN C/C(Cl)=C\CN1C[C@H](C)C[C@H]1c1cccnc1 ZINC000528453142 1124671770 /nfs/dbraw/zinc/67/17/70/1124671770.db2.gz ZCMIVRDHWBSKIJ-IEFFXNFKSA-N 0 1 250.773 3.607 20 0 CHADMN Cn1cncc1CN[C@@H]1CC(C)(C)Sc2ccccc21 ZINC000872073223 1124675413 /nfs/dbraw/zinc/67/54/13/1124675413.db2.gz OTVPOYJJWCXFIK-CQSZACIVSA-N 0 1 287.432 3.525 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H](C)CC(C)(C)C)no1 ZINC000449254996 1124676260 /nfs/dbraw/zinc/67/62/60/1124676260.db2.gz ASCNWBZLOZCUJE-CYBMUJFWSA-N 0 1 287.407 3.959 20 0 CHADMN Cc1csc(CN[C@H](C)c2cccc(O)c2F)c1 ZINC000872076445 1124676662 /nfs/dbraw/zinc/67/66/62/1124676662.db2.gz LJYLKFKDSGSJFV-SNVBAGLBSA-N 0 1 265.353 3.752 20 0 CHADMN Cc1ccccc1C[C@H](C)N(C)Cc1ccncc1F ZINC000449287443 1124684149 /nfs/dbraw/zinc/68/41/49/1124684149.db2.gz KORLNHRBWYEJSJ-AWEZNQCLSA-N 0 1 272.367 3.592 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CCN1Cc1ccncc1F ZINC000449299660 1124685803 /nfs/dbraw/zinc/68/58/03/1124685803.db2.gz BKDYMWVNMKLSGB-GOEBONIOSA-N 0 1 284.378 3.989 20 0 CHADMN Cc1ccccc1-c1ccccc1CN1CC[C@@](F)(CO)C1 ZINC000449308863 1124687881 /nfs/dbraw/zinc/68/78/81/1124687881.db2.gz AEMLYERFBQCLOX-IBGZPJMESA-N 0 1 299.389 3.568 20 0 CHADMN CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc2cccnc2o1 ZINC000449330840 1124690680 /nfs/dbraw/zinc/69/06/80/1124690680.db2.gz MGELERCJOXBRQG-MRXNPFEDSA-N 0 1 281.359 3.806 20 0 CHADMN COc1cccc2c1CCC[C@@H]2N[C@H](C)c1nccnc1C ZINC000872131814 1124691962 /nfs/dbraw/zinc/69/19/62/1124691962.db2.gz AEWBXAMMYORNGN-CJNGLKHVSA-N 0 1 297.402 3.522 20 0 CHADMN c1cc([C@H]2CCCCN2Cc2cccc3ccoc32)n[nH]1 ZINC000449313961 1124692207 /nfs/dbraw/zinc/69/22/07/1124692207.db2.gz BHCSUAYZHOUZDS-MRXNPFEDSA-N 0 1 281.359 3.883 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nccnc1C)c1ccsc1 ZINC000872132992 1124692346 /nfs/dbraw/zinc/69/23/46/1124692346.db2.gz JBIPXMLUUUJXGX-WCQYABFASA-N 0 1 261.394 3.648 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H](C)c2nccnc2C)s1 ZINC000872134047 1124692649 /nfs/dbraw/zinc/69/26/49/1124692649.db2.gz QQDKKUOYVGRVFZ-ZYHUDNBSSA-N 0 1 275.421 3.821 20 0 CHADMN CC1(C)CN(Cc2ccnn2C2CCCC2)[C@@H]1C1CC1 ZINC000449341381 1124695163 /nfs/dbraw/zinc/69/51/63/1124695163.db2.gz YWKKIEKTVXHGMH-MRXNPFEDSA-N 0 1 273.424 3.619 20 0 CHADMN Cc1ccc(C[N@H+](C(C)C)C2CCCC2)cc1C(=O)[O-] ZINC000872157124 1124695967 /nfs/dbraw/zinc/69/59/67/1124695967.db2.gz KZFPZXGHRVPTSV-UHFFFAOYSA-N 0 1 275.392 3.846 20 0 CHADMN CCS[C@H]1CCCC[N@@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC000872158578 1124696431 /nfs/dbraw/zinc/69/64/31/1124696431.db2.gz GPKYEMQLJRMCIM-LBPRGKRZSA-N 0 1 299.461 3.554 20 0 CHADMN C[C@]1(F)CCCN(Cc2cccc(OC(F)F)c2)C1 ZINC000449347100 1124697147 /nfs/dbraw/zinc/69/71/47/1124697147.db2.gz BJFKDCYJWATKNK-AWEZNQCLSA-N 0 1 273.298 3.612 20 0 CHADMN Cc1ccc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)cc1C(=O)[O-] ZINC000872159134 1124697370 /nfs/dbraw/zinc/69/73/70/1124697370.db2.gz OKMAZNAKTSZDGR-FRFSOERESA-N 0 1 287.403 3.846 20 0 CHADMN CC(C)CC[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000872159128 1124697389 /nfs/dbraw/zinc/69/73/89/1124697389.db2.gz NZVDURGTMICIOZ-ZDUSSCGKSA-N 0 1 281.421 3.847 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2cc3c(cccc3C3CC3)[nH]2)n1 ZINC000872170276 1124697711 /nfs/dbraw/zinc/69/77/11/1124697711.db2.gz GEGSFFCLQWJPMN-OAHLLOKOSA-N 0 1 296.374 3.751 20 0 CHADMN CC(C)[C@@H](N)c1noc(CCc2cccc3ccccc32)n1 ZINC000872171305 1124698033 /nfs/dbraw/zinc/69/80/33/1124698033.db2.gz QUZTXAOMSLVNLK-QGZVFWFLSA-N 0 1 295.386 3.664 20 0 CHADMN C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872169666 1124698719 /nfs/dbraw/zinc/69/87/19/1124698719.db2.gz USFYLIGDXPWESP-SOVGHPHASA-N 0 1 299.414 3.566 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](OC3CCC3)CC2)o1 ZINC000872260705 1124699486 /nfs/dbraw/zinc/69/94/86/1124699486.db2.gz TYRVGOHRKFOOIM-CYBMUJFWSA-N 0 1 283.799 3.857 20 0 CHADMN CC(F)(F)CCNCc1ncc(-c2ccccc2)s1 ZINC000449353357 1124708060 /nfs/dbraw/zinc/70/80/60/1124708060.db2.gz AJLYWIHKBSCYPW-UHFFFAOYSA-N 0 1 282.359 3.945 20 0 CHADMN Cc1oc2ccccc2c1CN[C@@](C)(CO)c1ccccc1 ZINC000389612959 1124708633 /nfs/dbraw/zinc/70/86/33/1124708633.db2.gz YLLUALLSGVFHLW-IBGZPJMESA-N 0 1 295.382 3.739 20 0 CHADMN COc1cc(CN(Cc2ccc(C)cc2)C(C)(C)C)on1 ZINC000528594379 1124711678 /nfs/dbraw/zinc/71/16/78/1124711678.db2.gz QPEVDUSWHQAILC-UHFFFAOYSA-N 0 1 288.391 3.792 20 0 CHADMN C[C@H](CCc1ccc(F)cc1)N[C@@H](C)C(C)(F)F ZINC000449416304 1124723119 /nfs/dbraw/zinc/72/31/19/1124723119.db2.gz SUXZATMMNOODSC-MNOVXSKESA-N 0 1 259.315 3.780 20 0 CHADMN Cc1cc2[nH]c(C[N@H+]3CC[C@@H]3C3CC3)cc2c(C)c1 ZINC000449425071 1124733770 /nfs/dbraw/zinc/73/37/70/1124733770.db2.gz GOWYLGUANOLPOC-QGZVFWFLSA-N 0 1 254.377 3.769 20 0 CHADMN CC(C)C[C@]1(C)CCCN1Cc1ccn(C(F)F)n1 ZINC000449431181 1124738079 /nfs/dbraw/zinc/73/80/79/1124738079.db2.gz CXXLSZXISJVUGS-AWEZNQCLSA-N 0 1 271.355 3.679 20 0 CHADMN Cc1cc(Cl)cc(CN[C@H](C)c2nccnc2C)c1 ZINC000873186477 1124748227 /nfs/dbraw/zinc/74/82/27/1124748227.db2.gz BNUCEUBXRNEBPZ-GFCCVEGCSA-N 0 1 275.783 3.598 20 0 CHADMN COc1ccc2nc(CNC3(C)CC(F)(F)C3)sc2c1 ZINC000873197975 1124751692 /nfs/dbraw/zinc/75/16/92/1124751692.db2.gz XDJFFFUMSZQHTC-UHFFFAOYSA-N 0 1 298.358 3.582 20 0 CHADMN CC[C@@](C)(CNCc1csc(-c2ccccc2)n1)OC ZINC000449478596 1124754539 /nfs/dbraw/zinc/75/45/39/1124754539.db2.gz RXRQQXLAMOWJFR-INIZCTEOSA-N 0 1 290.432 3.715 20 0 CHADMN FC1(F)CCC[C@@H]1CNCc1coc(-c2ccccc2)n1 ZINC000449495374 1124770032 /nfs/dbraw/zinc/77/00/32/1124770032.db2.gz OKZZBTQWKBZTPX-CYBMUJFWSA-N 0 1 292.329 3.867 20 0 CHADMN CO[C@H]1CCN(Cc2ccc(F)c(Cl)c2)CC1(C)C ZINC000449500132 1124774305 /nfs/dbraw/zinc/77/43/05/1124774305.db2.gz NHHZQNZOGXDVKS-AWEZNQCLSA-N 0 1 285.790 3.726 20 0 CHADMN Cc1cnc(N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)o1 ZINC000820687718 1131298265 /nfs/dbraw/zinc/29/82/65/1131298265.db2.gz XZKLMJASKZWYES-CYBMUJFWSA-N 0 1 296.374 3.552 20 0 CHADMN C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3ccc(CN)o3)c21 ZINC001122253853 1131298466 /nfs/dbraw/zinc/29/84/66/1131298466.db2.gz JTAOLQXIDIHVMH-LLVKDONJSA-N 0 1 298.386 3.775 20 0 CHADMN CCCC[C@@H](CC)CC(=O)OCc1ccc2[nH]nnc2c1 ZINC001122407071 1131299200 /nfs/dbraw/zinc/29/92/00/1131299200.db2.gz SQWVJRVPWQOZDW-GFCCVEGCSA-N 0 1 289.379 3.608 20 0 CHADMN CCCC[C@@H](CC)CC(=O)OCc1ccc2nn[nH]c2c1 ZINC001122407071 1131299202 /nfs/dbraw/zinc/29/92/02/1131299202.db2.gz SQWVJRVPWQOZDW-GFCCVEGCSA-N 0 1 289.379 3.608 20 0 CHADMN Cc1ccc(-c2ccn(C(C)C)c2)c(CN2CCOCC2)c1 ZINC001239078754 1131300739 /nfs/dbraw/zinc/30/07/39/1131300739.db2.gz ALAZLLCNKRVSPB-UHFFFAOYSA-N 0 1 298.430 3.877 20 0 CHADMN COc1cc([C@H](C)N[C@@H](c2ccccc2)C(C)C)on1 ZINC000820805104 1131301926 /nfs/dbraw/zinc/30/19/26/1131301926.db2.gz FRGWPZUZINEWDW-BLLLJJGKSA-N 0 1 274.364 3.731 20 0 CHADMN FC(F)(F)c1ccc(-c2cnoc2)c(CN2CCCC2)c1 ZINC001239188659 1131304507 /nfs/dbraw/zinc/30/45/07/1131304507.db2.gz KNHBKUYPNURHNJ-UHFFFAOYSA-N 0 1 296.292 3.956 20 0 CHADMN O=C(Nc1ccc2c(c1)CCC2)Nc1ccc2nc[nH]c2c1 ZINC001239198295 1131306164 /nfs/dbraw/zinc/30/61/64/1131306164.db2.gz GPHSTAMKTDWPLL-UHFFFAOYSA-N 0 1 292.342 3.696 20 0 CHADMN CCc1ncc(CN2CC(c3ccc(Cl)cc3)C2)s1 ZINC000449556226 1124800013 /nfs/dbraw/zinc/80/00/13/1124800013.db2.gz LPFPTUAGRYCJDG-UHFFFAOYSA-N 0 1 292.835 3.958 20 0 CHADMN CCCc1ncc(CNCc2cccc(C)c2C)o1 ZINC000449610867 1124815174 /nfs/dbraw/zinc/81/51/74/1124815174.db2.gz ICSQZBILKFCRSB-UHFFFAOYSA-N 0 1 258.365 3.534 20 0 CHADMN Fc1cccc(CN2CCC[C@@]3(CCSC3)C2)c1F ZINC000449732760 1124850933 /nfs/dbraw/zinc/85/09/33/1124850933.db2.gz MQEIYUWTQUKDFV-OAHLLOKOSA-N 0 1 283.387 3.684 20 0 CHADMN CC1(C(=O)Nc2nc3ccc(Cl)cc3[nH]2)CC(F)(F)C1 ZINC000874693012 1124851721 /nfs/dbraw/zinc/85/17/21/1124851721.db2.gz MHKQWXCOSMLJEN-UHFFFAOYSA-N 0 1 299.708 3.590 20 0 CHADMN Cc1cc(F)ccc1[C@@H]1CCCN1Cc1cnc(C)nc1 ZINC000449737704 1124855128 /nfs/dbraw/zinc/85/51/28/1124855128.db2.gz ZRGYWCCTYOKENK-KRWDZBQOSA-N 0 1 285.366 3.570 20 0 CHADMN Cc1ccc(CN(C)Cc2cnn(C(C)C)c2)cc1C ZINC000449762167 1124858924 /nfs/dbraw/zinc/85/89/24/1124858924.db2.gz FNEIYZVQLNXYDC-UHFFFAOYSA-N 0 1 271.408 3.713 20 0 CHADMN Cc1ccc(CN(C)Cc2cn(C)nc2C(F)F)cc1C ZINC000449763204 1124859716 /nfs/dbraw/zinc/85/97/16/1124859716.db2.gz PRMJBDDSALCJMD-UHFFFAOYSA-N 0 1 293.361 3.607 20 0 CHADMN COC[C@@H]1CCCN(Cc2c(F)cccc2Cl)CC1 ZINC000449769717 1124866373 /nfs/dbraw/zinc/86/63/73/1124866373.db2.gz CCVOJIXGHIHXJH-GFCCVEGCSA-N 0 1 285.790 3.728 20 0 CHADMN COC[C@H]1CCCN(Cc2ccc(F)cc2Cl)CC1 ZINC000449775649 1124866950 /nfs/dbraw/zinc/86/69/50/1124866950.db2.gz NAPRFYDYHGGFFZ-LBPRGKRZSA-N 0 1 285.790 3.728 20 0 CHADMN COC[C@@H]1CCCN(Cc2ncc(C(C)C)s2)CC1 ZINC000449777619 1124867295 /nfs/dbraw/zinc/86/72/95/1124867295.db2.gz QNNOMQDHLCPTED-CYBMUJFWSA-N 0 1 282.453 3.515 20 0 CHADMN CC(C)[C@@H]1N(Cc2cn(C)nc2C(F)F)CC12CCCC2 ZINC000449791564 1124874940 /nfs/dbraw/zinc/87/49/40/1124874940.db2.gz PILHVUUUFZGLBO-AWEZNQCLSA-N 0 1 297.393 3.758 20 0 CHADMN CC[C@@H](CC(F)(F)F)C(=O)Nc1cccc(Cl)c1O ZINC000449859601 1124885801 /nfs/dbraw/zinc/88/58/01/1124885801.db2.gz YDCMVPJEQVCUCD-ZETCQYMHSA-N 0 1 295.688 3.963 20 0 CHADMN CCCC[C@@H](CCC)NC(=O)c1sccc1CN(C)C ZINC000450102143 1124929867 /nfs/dbraw/zinc/92/98/67/1124929867.db2.gz FSPCHQWRKQLTAL-CQSZACIVSA-N 0 1 296.480 3.898 20 0 CHADMN CCC1(CC)[C@H](N[C@H](C)c2csc(C)n2)C[C@@H]1OC ZINC000358287905 1124931412 /nfs/dbraw/zinc/93/14/12/1124931412.db2.gz MTIFCRRGTQEOMO-HONMWMINSA-N 0 1 282.453 3.696 20 0 CHADMN CCS[C@@H](C)c1noc(CN(CC(C)C)CC(C)C)n1 ZINC000120410279 1124935268 /nfs/dbraw/zinc/93/52/68/1124935268.db2.gz BXMCSNHXXVCAFG-ZDUSSCGKSA-N 0 1 299.484 3.998 20 0 CHADMN CCCO[C@H]1CCCN(Cc2ccc(F)cc2F)CC1 ZINC000120528362 1124948963 /nfs/dbraw/zinc/94/89/63/1124948963.db2.gz HHWMNLDTOCYRQW-HNNXBMFYSA-N 0 1 283.362 3.746 20 0 CHADMN CC(C)Oc1cccc(CN(C)Cc2ccncc2)c1 ZINC000120553967 1124951117 /nfs/dbraw/zinc/95/11/17/1124951117.db2.gz WZPXLNXZMNEAFM-UHFFFAOYSA-N 0 1 270.376 3.501 20 0 CHADMN Cc1ccc2nc(NC(=O)C[C@@H](C)c3ccco3)[nH]c2c1 ZINC000529415927 1124952198 /nfs/dbraw/zinc/95/21/98/1124952198.db2.gz BMLSYWMJWIRPFB-LLVKDONJSA-N 0 1 283.331 3.597 20 0 CHADMN c1ccc(C[C@H]2CCCN2Cc2nnc(C3CC3)s2)cc1 ZINC000450224459 1124952254 /nfs/dbraw/zinc/95/22/54/1124952254.db2.gz BJMOYNBPHKRTIL-OAHLLOKOSA-N 0 1 299.443 3.623 20 0 CHADMN COc1cc(CN(C)CCC(F)(F)F)ccc1Cl ZINC000450339209 1124986407 /nfs/dbraw/zinc/98/64/07/1124986407.db2.gz OZRPXJOTTDOMOH-UHFFFAOYSA-N 0 1 281.705 3.733 20 0 CHADMN CN(C)c1cccc([C@H]2CCCN2Cc2ccns2)c1 ZINC000876749912 1124974638 /nfs/dbraw/zinc/97/46/38/1124974638.db2.gz RSEFQLFOUWRSBH-MRXNPFEDSA-N 0 1 287.432 3.546 20 0 CHADMN CC[C@@H](CC(C)C)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000450310520 1124976283 /nfs/dbraw/zinc/97/62/83/1124976283.db2.gz DXXVKLLKBSGIIA-ZDUSSCGKSA-N 0 1 287.407 3.560 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1Cc1ccc(Cl)nn1 ZINC000876775274 1124976493 /nfs/dbraw/zinc/97/64/93/1124976493.db2.gz SFOQTNNFHXSCIG-YPMHNXCESA-N 0 1 267.804 3.531 20 0 CHADMN CC(C)CC[C@@H]1CCCN1Cc1ccc(Cl)nn1 ZINC000876792252 1124976735 /nfs/dbraw/zinc/97/67/35/1124976735.db2.gz UWYBMFAMGNYIEF-ZDUSSCGKSA-N 0 1 267.804 3.531 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@@H]1COCc3ccccc31)CC2 ZINC000340528060 1124979731 /nfs/dbraw/zinc/97/97/31/1124979731.db2.gz ZPLOUNPOPMLCFF-ZWKOTPCHSA-N 0 1 283.346 3.674 20 0 CHADMN c1cc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cc2[nH]1 ZINC000529522654 1124984230 /nfs/dbraw/zinc/98/42/30/1124984230.db2.gz XGPGEQVNOJDKJV-LJQANCHMSA-N 0 1 292.382 3.741 20 0 CHADMN CCC[C@@H](NCc1ccc(Cl)nn1)c1ccccc1 ZINC000876885405 1124987437 /nfs/dbraw/zinc/98/74/37/1124987437.db2.gz OVXJIUHGRFILQD-CQSZACIVSA-N 0 1 275.783 3.761 20 0 CHADMN COC1(C)CCN(Cc2ccsc2C(F)(F)F)CC1 ZINC000529543229 1124987524 /nfs/dbraw/zinc/98/75/24/1124987524.db2.gz SDULQIKJLYOGFA-UHFFFAOYSA-N 0 1 293.354 3.768 20 0 CHADMN Cc1nc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)cs1 ZINC000120830715 1124994303 /nfs/dbraw/zinc/99/43/03/1124994303.db2.gz ZZAPEUVUTHGOLG-OAHLLOKOSA-N 0 1 262.422 3.774 20 0 CHADMN Cc1nc(CN2CCC[C@]3(CC=CCC3)C2)cs1 ZINC000120830715 1124994310 /nfs/dbraw/zinc/99/43/10/1124994310.db2.gz ZZAPEUVUTHGOLG-OAHLLOKOSA-N 0 1 262.422 3.774 20 0 CHADMN CCO[C@@H](C)c1nc(CN(CC2CC2)CC2CC2)cs1 ZINC000120839081 1124995699 /nfs/dbraw/zinc/99/56/99/1124995699.db2.gz MICIQSQFBONTCY-LBPRGKRZSA-N 0 1 294.464 3.863 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2cncs2)cc1 ZINC000120868566 1124997706 /nfs/dbraw/zinc/99/77/06/1124997706.db2.gz POIDSSQTPMZKDY-MRXNPFEDSA-N 0 1 288.416 3.879 20 0 CHADMN Cc1ccccc1[C@H](NCc1ccc(Cl)nn1)C(C)C ZINC000877024747 1124999439 /nfs/dbraw/zinc/99/94/39/1124999439.db2.gz NCYRWRXAHARZGY-MRXNPFEDSA-N 0 1 289.810 3.925 20 0 CHADMN CC[C@@](C)(NCc1cc(OC)cnc1F)c1ccccc1 ZINC000877046720 1125001131 /nfs/dbraw/zinc/00/11/31/1125001131.db2.gz RJUSWMSAZRJALZ-QGZVFWFLSA-N 0 1 288.366 3.644 20 0 CHADMN CC(C)(NCc1ccc(Cl)nn1)c1cccc(Cl)c1 ZINC000877061650 1125003994 /nfs/dbraw/zinc/00/39/94/1125003994.db2.gz OMVTVZGWUPIHBC-UHFFFAOYSA-N 0 1 296.201 3.808 20 0 CHADMN CO[C@@H]1CCN(Cc2ccsc2C(F)(F)F)C[C@@H]1C ZINC000529595135 1125005391 /nfs/dbraw/zinc/00/53/91/1125005391.db2.gz SOSFCVUPSJPGTL-GXSJLCMTSA-N 0 1 293.354 3.624 20 0 CHADMN CNc1ccc(-c2cccc(C3=NCCC3)c2)c(F)n1 ZINC001239436605 1131325200 /nfs/dbraw/zinc/32/52/00/1131325200.db2.gz QMUGSFXEWDUNLH-UHFFFAOYSA-N 0 1 269.323 3.512 20 0 CHADMN Cc1cccc(C)c1OCC[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000157670684 1125017374 /nfs/dbraw/zinc/01/73/74/1125017374.db2.gz CDKUDFLRVFLKSV-KRWDZBQOSA-N 0 1 284.403 3.847 20 0 CHADMN C[C@@H]1CSCCN(Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877475226 1125031711 /nfs/dbraw/zinc/03/17/11/1125031711.db2.gz NXLLFMKZRVZJPL-JTQLQIEISA-N 0 1 296.823 3.666 20 0 CHADMN CSC(C)(C)CCN1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000877640310 1125057885 /nfs/dbraw/zinc/05/78/85/1125057885.db2.gz XKEICKIPRNVPDU-MNOVXSKESA-N 0 1 299.402 3.560 20 0 CHADMN CC(C)C1CN(Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877486029 1125032762 /nfs/dbraw/zinc/03/27/62/1125032762.db2.gz CJENHUMHORTANX-UHFFFAOYSA-N 0 1 264.756 3.569 20 0 CHADMN CCc1cc(CCCN2Cc3ccccc3[C@@H]2C)on1 ZINC000450457448 1125033358 /nfs/dbraw/zinc/03/33/58/1125033358.db2.gz VPOWZAUTWLYQIS-ZDUSSCGKSA-N 0 1 270.376 3.746 20 0 CHADMN Fc1cccc([C@H]2C[C@H](NCc3nc(Cl)cs3)C2)c1 ZINC000877495596 1125035436 /nfs/dbraw/zinc/03/54/36/1125035436.db2.gz DQQMMTNYNFZQKK-UMSPYCQHSA-N 0 1 296.798 3.971 20 0 CHADMN CC(C)(C)c1nc[nH]c1CN1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001142235517 1125036306 /nfs/dbraw/zinc/03/63/06/1125036306.db2.gz XYLRPBPYQNKDBD-OKILXGFUSA-N 0 1 295.430 3.794 20 0 CHADMN COc1cc(CN2CC[C@@H](OCC(C)C)C2)ccc1Cl ZINC000450481267 1125042715 /nfs/dbraw/zinc/04/27/15/1125042715.db2.gz DGFCOUDVRACEPM-CQSZACIVSA-N 0 1 297.826 3.596 20 0 CHADMN CC(C)[C@@H]1N(Cc2cc3c(cc[nH]c3=O)o2)CC12CCC2 ZINC000877545213 1125043358 /nfs/dbraw/zinc/04/33/58/1125043358.db2.gz HADKLQZNGFPBMT-HNNXBMFYSA-N 0 1 286.375 3.544 20 0 CHADMN CC(=O)c1cccc(CN2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000450548489 1125054065 /nfs/dbraw/zinc/05/40/65/1125054065.db2.gz IDDACNWVZULZRV-LJQANCHMSA-N 0 1 294.398 3.576 20 0 CHADMN Clc1ccnc2c1CC[C@H]2N[C@@H]1CCCc2[nH]ccc21 ZINC000925229192 1125055065 /nfs/dbraw/zinc/05/50/65/1125055065.db2.gz SSPCJRWNYRCIPH-HUUCEWRRSA-N 0 1 287.794 3.718 20 0 CHADMN COc1cc2c(cc1F)nccc2NCCC(C)(F)F ZINC000450557003 1125055360 /nfs/dbraw/zinc/05/53/60/1125055360.db2.gz OUPQRAZTRGIEFY-UHFFFAOYSA-N 0 1 284.281 3.840 20 0 CHADMN Clc1ccnc2c1CC[C@@H]2N[C@H]1CCCc2[nH]ccc21 ZINC000925229189 1125055466 /nfs/dbraw/zinc/05/54/66/1125055466.db2.gz SSPCJRWNYRCIPH-GJZGRUSLSA-N 0 1 287.794 3.718 20 0 CHADMN CN(Cc1nc2ccccc2o1)CC1=CCCCC1 ZINC000450590792 1125066483 /nfs/dbraw/zinc/06/64/83/1125066483.db2.gz ZPFPFHUKGWDYJM-UHFFFAOYSA-N 0 1 256.349 3.760 20 0 CHADMN Clc1ccc(CN2CCC[C@H](C3CCC3)CC2)nn1 ZINC000877703547 1125066799 /nfs/dbraw/zinc/06/67/99/1125066799.db2.gz NSSWCZABBCBRTR-ZDUSSCGKSA-N 0 1 279.815 3.532 20 0 CHADMN Cc1cnc(CNCC2(c3cccc(Cl)c3)CCC2)o1 ZINC000877728723 1125068824 /nfs/dbraw/zinc/06/88/24/1125068824.db2.gz SNRQVBWUMTVKHB-UHFFFAOYSA-N 0 1 290.794 3.848 20 0 CHADMN CC(C)(C)c1csc(CN2CC[C@H]3CSC[C@H]3C2)n1 ZINC000877736276 1125070722 /nfs/dbraw/zinc/07/07/22/1125070722.db2.gz SOBYFOTWUJLTSI-NWDGAFQWSA-N 0 1 296.505 3.626 20 0 CHADMN CCC(NC(=O)c1cccc2nc(C)[nH]c21)(C1CC1)C1CC1 ZINC000529799117 1125071429 /nfs/dbraw/zinc/07/14/29/1125071429.db2.gz ACHHRAPVKSXDOK-UHFFFAOYSA-N 0 1 297.402 3.570 20 0 CHADMN C[C@@]1(CNCc2noc3c2CC(C)(C)CC3)CCCS1 ZINC000877810117 1125083374 /nfs/dbraw/zinc/08/33/74/1125083374.db2.gz OWPVWKNUQPHIOY-INIZCTEOSA-N 0 1 294.464 3.565 20 0 CHADMN COc1cc(CN[C@H](C)c2cncc(F)c2)ccc1Cl ZINC000450717769 1125093783 /nfs/dbraw/zinc/09/37/83/1125093783.db2.gz LUHBYDQXIMQARU-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN CC[C@H](NCC1=CCCCC1)c1nc(C)cs1 ZINC000450728685 1125094429 /nfs/dbraw/zinc/09/44/29/1125094429.db2.gz PNHLDZGCBGKQGR-ZDUSSCGKSA-N 0 1 250.411 3.993 20 0 CHADMN Cc1cnc([C@H](NCC2=CCCCC2)C2CC2)s1 ZINC000450724588 1125099193 /nfs/dbraw/zinc/09/91/93/1125099193.db2.gz GQSXWZYEBYGTCU-CQSZACIVSA-N 0 1 262.422 3.993 20 0 CHADMN C[C@H](Sc1nc(C(C)(C)C)n[nH]1)C(=O)C1CCCCC1 ZINC000450759488 1125103721 /nfs/dbraw/zinc/10/37/21/1125103721.db2.gz KFVLCGWCGWFXQG-JTQLQIEISA-N 0 1 295.452 3.732 20 0 CHADMN COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](C)C2)co1 ZINC000877934245 1125104394 /nfs/dbraw/zinc/10/43/94/1125104394.db2.gz GNUIMOSHGTVRGE-CYBMUJFWSA-N 0 1 286.375 3.582 20 0 CHADMN COc1ccccc1-c1nc(CN2CCC[C@@H](C)C2)co1 ZINC000877934245 1125104397 /nfs/dbraw/zinc/10/43/97/1125104397.db2.gz GNUIMOSHGTVRGE-CYBMUJFWSA-N 0 1 286.375 3.582 20 0 CHADMN CCC[C@@H](CC)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC001136455851 1131332387 /nfs/dbraw/zinc/33/23/87/1131332387.db2.gz PCMYWAFFPVYRLP-CABCVRRESA-N 0 1 294.439 3.605 20 0 CHADMN Cc1conc1CN1CCC[C@H]1c1cccc(C)c1 ZINC000877987148 1125109966 /nfs/dbraw/zinc/10/99/66/1125109966.db2.gz YLWLIBQAJCJERV-INIZCTEOSA-N 0 1 256.349 3.629 20 0 CHADMN CCC(CC)N(Cc1nc2c(o1)CCCC2)C1CC1 ZINC000878037860 1125113861 /nfs/dbraw/zinc/11/38/61/1125113861.db2.gz ZJGOQOAZIODUQI-UHFFFAOYSA-N 0 1 262.397 3.706 20 0 CHADMN CC(C)c1cccc(NC(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)c1 ZINC000878015081 1125113871 /nfs/dbraw/zinc/11/38/71/1125113871.db2.gz VHONSHQKYLBHCC-YVEFUNNKSA-N 0 1 297.402 3.838 20 0 CHADMN COc1ccccc1-c1nc(CN(C)CC(C)(C)C)co1 ZINC000878039230 1125114086 /nfs/dbraw/zinc/11/40/86/1125114086.db2.gz ZQZUQZJXEGYKTB-UHFFFAOYSA-N 0 1 288.391 3.828 20 0 CHADMN C[C@H](CN(C)Cc1nc2c(o1)CCCC2)c1ccccc1 ZINC000878044043 1125115809 /nfs/dbraw/zinc/11/58/09/1125115809.db2.gz LUPCCZPGCMTHBU-CQSZACIVSA-N 0 1 284.403 3.789 20 0 CHADMN C[C@H](CN(C)C(=O)c1ccc2cncn2c1)C1CCCCC1 ZINC000530038600 1125115898 /nfs/dbraw/zinc/11/58/98/1125115898.db2.gz LLTFPGTYACTBSU-CQSZACIVSA-N 0 1 299.418 3.623 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cc2nnc(C3CC3)s2)C1 ZINC000450899497 1125119517 /nfs/dbraw/zinc/11/95/17/1125119517.db2.gz SLGWWUXEVAIERH-LBPRGKRZSA-N 0 1 279.453 3.674 20 0 CHADMN Cc1conc1CN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000878099674 1125119712 /nfs/dbraw/zinc/11/97/12/1125119712.db2.gz ZKXKZPYWXBKQNF-CYBMUJFWSA-N 0 1 276.767 3.626 20 0 CHADMN Fc1cccc([C@@H]2CCN2C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1 ZINC000878166404 1125126832 /nfs/dbraw/zinc/12/68/32/1125126832.db2.gz UEQYZXQAQLWEJW-QSPRXWTASA-N 0 1 275.367 3.530 20 0 CHADMN Fc1cccc([C@@H]2CCN2C[C@@H]2CCC3(CCC3)O2)c1 ZINC000878165866 1125126857 /nfs/dbraw/zinc/12/68/57/1125126857.db2.gz GLDMWIRTSCJPJK-HOTGVXAUSA-N 0 1 275.367 3.674 20 0 CHADMN C[C@H](NCCc1ccc(Cl)cc1)c1c(F)cncc1F ZINC000450993266 1125127363 /nfs/dbraw/zinc/12/73/63/1125127363.db2.gz UMNPAWNJQRRHNI-JTQLQIEISA-N 0 1 296.748 3.907 20 0 CHADMN Fc1cccc([C@@H]2CCN2C[C@H]2CCC3(CCC3)O2)c1 ZINC000878165865 1125127731 /nfs/dbraw/zinc/12/77/31/1125127731.db2.gz GLDMWIRTSCJPJK-CVEARBPZSA-N 0 1 275.367 3.674 20 0 CHADMN CCN(Cc1ccccn1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878185589 1125129147 /nfs/dbraw/zinc/12/91/47/1125129147.db2.gz ASEKKMKNMBDWAN-OALUTQOASA-N 0 1 296.414 3.824 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1cccc(Cl)c1F ZINC000530179013 1125129544 /nfs/dbraw/zinc/12/95/44/1125129544.db2.gz KNZGYVKSSLLTNX-PEGIJTEDSA-N 0 1 299.773 3.553 20 0 CHADMN c1csc(C2(NC[C@@H]3CCC4(CCC4)O3)CCCC2)n1 ZINC000878262770 1125137119 /nfs/dbraw/zinc/13/71/19/1125137119.db2.gz UYXAFMXTXDJSBZ-ZDUSSCGKSA-N 0 1 292.448 3.604 20 0 CHADMN CN(Cc1ccc2nc[nH]c2c1)c1ccc2cc[nH]c2c1 ZINC000530278475 1125138101 /nfs/dbraw/zinc/13/81/01/1125138101.db2.gz BSAQRQNFSARPRO-UHFFFAOYSA-N 0 1 276.343 3.681 20 0 CHADMN Cc1ccc(CN[C@@H](c2cccnc2)C2CC2)nc1Cl ZINC000878404150 1125148534 /nfs/dbraw/zinc/14/85/34/1125148534.db2.gz XHDMTAPSKNEJGB-OAHLLOKOSA-N 0 1 287.794 3.679 20 0 CHADMN C=C/C=C/CCN[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000878426312 1125153245 /nfs/dbraw/zinc/15/32/45/1125153245.db2.gz XWRCMYVFUNOAMI-URWSZGRFSA-N 0 1 299.374 3.528 20 0 CHADMN Cc1nc([C@H]2CCCN2C[C@@H]2CCCC(C)(C)O2)cs1 ZINC000878450834 1125155083 /nfs/dbraw/zinc/15/50/83/1125155083.db2.gz ASCGUFVRTDAVCL-DZGCQCFKSA-N 0 1 294.464 3.936 20 0 CHADMN Cc1ccccc1NC(=O)CN1CCC(C(C)(C)C)CC1 ZINC000530514713 1125160366 /nfs/dbraw/zinc/16/03/66/1125160366.db2.gz DAALQDPQBUUVRS-UHFFFAOYSA-N 0 1 288.435 3.692 20 0 CHADMN Cc1cc(NC(=O)c2cn[nH]c2C2CC2)ccc1C1CC1 ZINC000530563966 1125163900 /nfs/dbraw/zinc/16/39/00/1125163900.db2.gz QBQIYWIYZSZNHH-UHFFFAOYSA-N 0 1 281.359 3.725 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@@H](C)c1cncc(F)c1 ZINC000121946723 1125164652 /nfs/dbraw/zinc/16/46/52/1125164652.db2.gz WPTQLZWJZWHNJL-MEDUHNTESA-N 0 1 286.350 3.567 20 0 CHADMN CCOC[C@@H](NCc1c(Cl)cncc1Cl)C(C)C ZINC000878598192 1125164661 /nfs/dbraw/zinc/16/46/61/1125164661.db2.gz ZLYPSGSYWVHOMQ-CYBMUJFWSA-N 0 1 291.222 3.539 20 0 CHADMN Cc1conc1CN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000878617039 1125165776 /nfs/dbraw/zinc/16/57/76/1125165776.db2.gz HVENSDNVMXYHNV-MRXNPFEDSA-N 0 1 296.374 3.505 20 0 CHADMN CC(C)OC1CCN([C@@H](C)c2cc(F)ccc2F)CC1 ZINC000530687457 1125172313 /nfs/dbraw/zinc/17/23/13/1125172313.db2.gz PSKVMUVBCPURJQ-LBPRGKRZSA-N 0 1 283.362 3.915 20 0 CHADMN C(c1nc2c(o1)CCCC2)N1CC[C@H](C2CCCC2)C1 ZINC000878720586 1125175020 /nfs/dbraw/zinc/17/50/20/1125175020.db2.gz NOMUFNANFVUWTM-AWEZNQCLSA-N 0 1 274.408 3.566 20 0 CHADMN CC1(C)CN(Cc2ccccc2Cl)CCS1 ZINC000530725552 1125176547 /nfs/dbraw/zinc/17/65/47/1125176547.db2.gz YDQACKPNZZXKHD-UHFFFAOYSA-N 0 1 255.814 3.667 20 0 CHADMN Clc1cc(CN2CCC[C@H](c3cccnc3)C2)ccn1 ZINC000878757022 1125178375 /nfs/dbraw/zinc/17/83/75/1125178375.db2.gz ZUIVJKHSXLBMSV-HNNXBMFYSA-N 0 1 287.794 3.510 20 0 CHADMN Fc1cccc(CN2CC[C@@H]2Cc2ccccc2)c1F ZINC000530757090 1125178878 /nfs/dbraw/zinc/17/88/78/1125178878.db2.gz KCUNAHNONXFTIQ-OAHLLOKOSA-N 0 1 273.326 3.782 20 0 CHADMN Fc1ccc(CN2CC[C@@H]2Cc2ccccc2)cc1F ZINC000530757302 1125179126 /nfs/dbraw/zinc/17/91/26/1125179126.db2.gz YJYQDJIVPRKQQV-OAHLLOKOSA-N 0 1 273.326 3.782 20 0 CHADMN CC1(C)CCc2onc(CNC3(C4CCC4)CC3)c2C1 ZINC000878807352 1125179204 /nfs/dbraw/zinc/17/92/04/1125179204.db2.gz NEDJDWDBJSSNGK-UHFFFAOYSA-N 0 1 274.408 3.612 20 0 CHADMN Cc1ccc(NC(=O)CN(C)[C@@H](C)c2ccc(C)cc2)cc1 ZINC000530865895 1125184049 /nfs/dbraw/zinc/18/40/49/1125184049.db2.gz VZRYZEHKCQPSKL-INIZCTEOSA-N 0 1 296.414 3.935 20 0 CHADMN Fc1ccc([C@@H]2CCN2C[C@H]2CCC3(CCC3)O2)cc1 ZINC000878921035 1125185946 /nfs/dbraw/zinc/18/59/46/1125185946.db2.gz LEJBOSJYKGQCSK-CVEARBPZSA-N 0 1 275.367 3.674 20 0 CHADMN Fc1ccc([C@@H]2CCN2C[C@@H]2C[C@H]3CCC[C@H]3O2)cc1 ZINC000878921939 1125185986 /nfs/dbraw/zinc/18/59/86/1125185986.db2.gz YYZMXHZNKIYJQG-BSWAZPDLSA-N 0 1 275.367 3.530 20 0 CHADMN CC1(C)CN(Cc2cccc(Cl)c2)CCS1 ZINC000530964008 1125189834 /nfs/dbraw/zinc/18/98/34/1125189834.db2.gz KGLADZBEXJXZFN-UHFFFAOYSA-N 0 1 255.814 3.667 20 0 CHADMN CCC(=O)CCNC(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879160255 1125200046 /nfs/dbraw/zinc/20/00/46/1125200046.db2.gz UYUZQNLPOLAHGO-UHFFFAOYSA-N 0 1 294.782 3.675 20 0 CHADMN C[C@H]1CN(Cc2csc(C(C)(C)C)n2)C[C@@H]1C ZINC000531210040 1125201784 /nfs/dbraw/zinc/20/17/84/1125201784.db2.gz DESZRTQLSRQHCL-QWRGUYRKSA-N 0 1 252.427 3.528 20 0 CHADMN Clc1cnc(CN2CCC[C@@H](C3CCC3)CC2)cn1 ZINC000879426566 1125212594 /nfs/dbraw/zinc/21/25/94/1125212594.db2.gz MCOQJCVHBROMEZ-CYBMUJFWSA-N 0 1 279.815 3.532 20 0 CHADMN CCCc1nc(CNC(C)(C)[C@@H]2CCCCO2)cs1 ZINC000879409761 1125213014 /nfs/dbraw/zinc/21/30/14/1125213014.db2.gz YUWYXGTXQLNUMN-ZDUSSCGKSA-N 0 1 282.453 3.533 20 0 CHADMN C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1Cc1ccon1 ZINC000879453478 1125214542 /nfs/dbraw/zinc/21/45/42/1125214542.db2.gz HTFPMZGBUMDAAZ-INIZCTEOSA-N 0 1 292.329 3.550 20 0 CHADMN COc1ccc([C@@H](NCc2ccco2)C2CC2)cc1 ZINC000035047706 1125216990 /nfs/dbraw/zinc/21/69/90/1125216990.db2.gz YAXBWYCCVHRIEX-INIZCTEOSA-N 0 1 257.333 3.529 20 0 CHADMN Cc1cnc(CN2CC[C@H](c3ccccc3F)C2(C)C)o1 ZINC000879639420 1125222623 /nfs/dbraw/zinc/22/26/23/1125222623.db2.gz WSFOJPZHTSBNNJ-CQSZACIVSA-N 0 1 288.366 3.890 20 0 CHADMN COc1cccc(C[N@H+]2CCC[C@H]2c2cncc(C)c2)c1 ZINC000879748711 1125229244 /nfs/dbraw/zinc/22/92/44/1125229244.db2.gz NDFPYIZMOMUWDB-SFHVURJKSA-N 0 1 282.387 3.736 20 0 CHADMN COc1ncccc1CN[C@H]1CCc2c1cccc2Cl ZINC000531946476 1125231495 /nfs/dbraw/zinc/23/14/95/1125231495.db2.gz WOCUJVNRXHAMIS-HNNXBMFYSA-N 0 1 288.778 3.521 20 0 CHADMN COC(C)(C)CN(C)Cc1ccc(Cl)cc1Cl ZINC000532086406 1125234526 /nfs/dbraw/zinc/23/45/26/1125234526.db2.gz VCTUPJNGWUIACS-UHFFFAOYSA-N 0 1 276.207 3.850 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc(F)c1)c1cncs1 ZINC000128080198 1125239431 /nfs/dbraw/zinc/23/94/31/1125239431.db2.gz LLRHPRHBNZOTIA-UWVGGRQHSA-N 0 1 250.342 3.694 20 0 CHADMN Cc1ccccc1[C@@H](CO)N[C@@H]1CCSc2ccccc21 ZINC000532248492 1125243095 /nfs/dbraw/zinc/24/30/95/1125243095.db2.gz QAZFPMDEZOJODB-IAGOWNOFSA-N 0 1 299.439 3.855 20 0 CHADMN Cc1nsc(C)c1CN1CC[C@](C)(C(F)(F)F)C1 ZINC000880004450 1125243669 /nfs/dbraw/zinc/24/36/69/1125243669.db2.gz VJWWQYIBAUIMJD-NSHDSACASA-N 0 1 278.343 3.534 20 0 CHADMN COC(C)(C)CN(C)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000532340017 1125250034 /nfs/dbraw/zinc/25/00/34/1125250034.db2.gz DBNHMQREPGNNMM-UHFFFAOYSA-N 0 1 288.391 3.507 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CC[C@@H](c2nccs2)C1 ZINC000880317056 1125264035 /nfs/dbraw/zinc/26/40/35/1125264035.db2.gz OSOYLODHWHMVKP-WDEREUQCSA-N 0 1 294.370 3.972 20 0 CHADMN COc1cccc2c1CN(Cc1cc(C)cs1)CC2 ZINC001137151742 1125267273 /nfs/dbraw/zinc/26/72/73/1125267273.db2.gz AFBQLJPYUBJLLI-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)NCc1nccnc1Cl ZINC001168150594 1125267297 /nfs/dbraw/zinc/26/72/97/1125267297.db2.gz UIINXEGEYQZBKL-SNVBAGLBSA-N 0 1 296.201 3.504 20 0 CHADMN CCc1cnc(CN2CCC[C@]2(C)c2ccccc2)o1 ZINC000880371632 1125268103 /nfs/dbraw/zinc/26/81/03/1125268103.db2.gz MKZBJYJKKPCTSV-QGZVFWFLSA-N 0 1 270.376 3.748 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@@H]1c1ccccc1)c1csnn1 ZINC000639904595 1125269092 /nfs/dbraw/zinc/26/90/92/1125269092.db2.gz UKSLLHKXQWHSRX-MRVWCRGKSA-N 0 1 273.405 3.525 20 0 CHADMN Cc1ccnc(CN2CCc3ccsc3[C@@H]2C)c1 ZINC000880377353 1125269421 /nfs/dbraw/zinc/26/94/21/1125269421.db2.gz SXOGMUPDJYCTJB-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN CC(C)[C@@H](NCc1ccn(C)n1)c1ccc(Cl)cc1 ZINC000394844082 1125271249 /nfs/dbraw/zinc/27/12/49/1125271249.db2.gz WWHLJQZHNSKEDH-OAHLLOKOSA-N 0 1 277.799 3.560 20 0 CHADMN CCc1cccc(Cl)c1CN1CCCO[C@H](C)C1 ZINC000475724434 1125280849 /nfs/dbraw/zinc/28/08/49/1125280849.db2.gz SSXBNIYGBRUFLE-GFCCVEGCSA-N 0 1 267.800 3.513 20 0 CHADMN Cc1cccc([C@@H](C)OC(=O)c2c(F)cc(O)cc2F)c1 ZINC000783715882 1125287429 /nfs/dbraw/zinc/28/74/29/1125287429.db2.gz HUGIAMVWSQICDU-SNVBAGLBSA-N 0 1 292.281 3.897 20 0 CHADMN C[C@](CO)(NCc1cc2cc(F)ccc2o1)c1ccccc1 ZINC000237635392 1125302826 /nfs/dbraw/zinc/30/28/26/1125302826.db2.gz BTNTZXLYECYDKG-GOSISDBHSA-N 0 1 299.345 3.569 20 0 CHADMN CC[C@H](N[C@H](C)c1cncs1)c1ccccc1OC ZINC000128954528 1125308417 /nfs/dbraw/zinc/30/84/17/1125308417.db2.gz XERYAMYSYVKOKU-YPMHNXCESA-N 0 1 276.405 3.954 20 0 CHADMN COc1ccc([C@@H](C)NCc2cnn(C3CCC3)c2)cc1C ZINC000897414586 1125316270 /nfs/dbraw/zinc/31/62/70/1125316270.db2.gz FYBDFDOFKHBKPI-CQSZACIVSA-N 0 1 299.418 3.776 20 0 CHADMN Cc1cc(F)ccc1CNCc1cccnc1OC(C)C ZINC000050577408 1125321706 /nfs/dbraw/zinc/32/17/06/1125321706.db2.gz LIJCSTXUANXAIG-UHFFFAOYSA-N 0 1 288.366 3.606 20 0 CHADMN COc1ccsc1CN[C@H](C)c1ccc2c(c1)CCO2 ZINC000897419622 1125325074 /nfs/dbraw/zinc/32/50/74/1125325074.db2.gz OXGZGAHACAZOOG-LLVKDONJSA-N 0 1 289.400 3.542 20 0 CHADMN CC1(CNC(=O)c2cc(Cl)c3ccccc3c2O)CC1 ZINC001137167716 1125325919 /nfs/dbraw/zinc/32/59/19/1125325919.db2.gz SMVPIWSBAGEDNZ-UHFFFAOYSA-N 0 1 289.762 3.729 20 0 CHADMN Nc1cc(CNC(c2ccccc2)c2ccccc2)ccn1 ZINC000191556649 1125326941 /nfs/dbraw/zinc/32/69/41/1125326941.db2.gz JYJZGIDDCAYASV-UHFFFAOYSA-N 0 1 289.382 3.543 20 0 CHADMN CC(C)c1cccc2c1CCN(Cc1ccncc1)C2 ZINC000191894217 1125328755 /nfs/dbraw/zinc/32/87/55/1125328755.db2.gz OOSFQIGCCQCRFE-UHFFFAOYSA-N 0 1 266.388 3.763 20 0 CHADMN Fc1cccc(CC[N@@H+](Cc2ncccn2)C2CCCC2)c1 ZINC000192067891 1125330202 /nfs/dbraw/zinc/33/02/02/1125330202.db2.gz CQQPWGBPBDKDSJ-UHFFFAOYSA-N 0 1 299.393 3.603 20 0 CHADMN O=C1CCN(Cc2cccc3cccnc32)[C@@H]2CCCC[C@@H]12 ZINC001137172172 1125331693 /nfs/dbraw/zinc/33/16/93/1125331693.db2.gz WTOGKFLMUFUVSZ-IAGOWNOFSA-N 0 1 294.398 3.568 20 0 CHADMN Cc1ccc(CN2C3CCC2CC3)cc1Br ZINC000398952328 1125339052 /nfs/dbraw/zinc/33/90/52/1125339052.db2.gz SLGFQOHTDOGGJB-UHFFFAOYSA-N 0 1 280.209 3.884 20 0 CHADMN COc1ccc2c(c1)OCC[C@@H]2NCc1csc(C)c1 ZINC000648461190 1125341797 /nfs/dbraw/zinc/34/17/97/1125341797.db2.gz WDRKWCVKHGPIOC-HNNXBMFYSA-N 0 1 289.400 3.679 20 0 CHADMN CC(C)c1noc(CNC(C)(C)CCc2ccccc2)n1 ZINC000170811066 1125347099 /nfs/dbraw/zinc/34/70/99/1125347099.db2.gz SPFJDIASYFKKJS-UHFFFAOYSA-N 0 1 287.407 3.694 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@H](F)C1 ZINC001168181433 1125349202 /nfs/dbraw/zinc/34/92/02/1125349202.db2.gz ZFEHCVQIDZZZPK-FZMZJTMJSA-N 0 1 255.764 3.705 20 0 CHADMN CC(C)(C)C1=CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263350452 1125351781 /nfs/dbraw/zinc/35/17/81/1125351781.db2.gz PLPGAGKUAZIEDX-UHFFFAOYSA-N 0 1 273.376 3.563 20 0 CHADMN COC(C)(C)CN(C)Cc1nc(C)c(C(C)(C)C)s1 ZINC001168183564 1125352395 /nfs/dbraw/zinc/35/23/95/1125352395.db2.gz CPOIMWHAWOFPJK-UHFFFAOYSA-N 0 1 284.469 3.606 20 0 CHADMN Cc1occc1CN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000666356075 1125357677 /nfs/dbraw/zinc/35/76/77/1125357677.db2.gz DVHSGDSLZSSCQI-JOYOIKCWSA-N 0 1 261.287 3.751 20 0 CHADMN CCN(c1ccc(NCc2ccncc2N)cc1)C(C)C ZINC000882907054 1125361150 /nfs/dbraw/zinc/36/11/50/1125361150.db2.gz JUEKHLHZIAZGAO-UHFFFAOYSA-N 0 1 284.407 3.511 20 0 CHADMN CC1(Cc2nc(-c3ccn4cncc4c3)no2)CCCC1 ZINC000350309624 1125362824 /nfs/dbraw/zinc/36/28/24/1125362824.db2.gz TYPPYCNGNDCZAU-UHFFFAOYSA-N 0 1 282.347 3.507 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1cccc(F)c1 ZINC000037246932 1125364523 /nfs/dbraw/zinc/36/45/23/1125364523.db2.gz NVUSXBNBWMPXHQ-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN FC1(F)CCC[C@H]1CCOc1ccccc1-c1nnc[nH]1 ZINC000882984865 1125365443 /nfs/dbraw/zinc/36/54/43/1125365443.db2.gz WFZKTHZKPYVICD-NSHDSACASA-N 0 1 293.317 3.676 20 0 CHADMN CC[C@](C)(NCc1nc(C(C)C)c[nH]1)c1ccccc1 ZINC000882989375 1125366330 /nfs/dbraw/zinc/36/63/30/1125366330.db2.gz NGWWLZLYNLKYBU-KRWDZBQOSA-N 0 1 271.408 3.948 20 0 CHADMN CC(C)n1cc([C@@H](C)NCc2cccc(Cl)c2N)cn1 ZINC000882993954 1125366928 /nfs/dbraw/zinc/36/69/28/1125366928.db2.gz NDXGVWDSMJTPMG-LLVKDONJSA-N 0 1 292.814 3.550 20 0 CHADMN CCN(Cn1cc(C)cnc1=S)C1CCCCC1 ZINC000130703831 1125367503 /nfs/dbraw/zinc/36/75/03/1125367503.db2.gz ZRUJGAFWEURESR-UHFFFAOYSA-N 0 1 265.426 3.533 20 0 CHADMN C[C@H](NCc1c(F)cccc1Cl)[C@H]1CC1(F)F ZINC000666445720 1125370104 /nfs/dbraw/zinc/37/01/04/1125370104.db2.gz XJICMUSYBFEFJH-IONNQARKSA-N 0 1 263.690 3.612 20 0 CHADMN CCCN[C@@H](C)c1nc(Cc2cccc(Cl)c2F)no1 ZINC000214198818 1125371323 /nfs/dbraw/zinc/37/13/23/1125371323.db2.gz XKPSEEJNNOPAJN-VIFPVBQESA-N 0 1 297.761 3.514 20 0 CHADMN CCCN[C@H](C)c1nc(Cc2cccc(Cl)c2F)no1 ZINC000214198879 1125371458 /nfs/dbraw/zinc/37/14/58/1125371458.db2.gz XKPSEEJNNOPAJN-SECBINFHSA-N 0 1 297.761 3.514 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)N3[C@@H](C)CC[C@@H]3C)n2)o1 ZINC000350805236 1125372783 /nfs/dbraw/zinc/37/27/83/1125372783.db2.gz NFNTYMXCGYNFTE-NHCYSSNCSA-N 0 1 275.352 3.572 20 0 CHADMN C[C@H]1Oc2ccccc2[C@H]1NCc1cccc(Cl)c1N ZINC000883121478 1125373189 /nfs/dbraw/zinc/37/31/89/1125373189.db2.gz JCBRRWIPDLROCH-HWPZZCPQSA-N 0 1 288.778 3.534 20 0 CHADMN c1cc2c(s1)CCC[C@@H]2NCc1cnc2ccccc2n1 ZINC000061360102 1125378762 /nfs/dbraw/zinc/37/87/62/1125378762.db2.gz CTRTVZFJYIHONU-AWEZNQCLSA-N 0 1 295.411 3.859 20 0 CHADMN C/C=C\C[C@@H]1CCCN(Cc2noc3c2CCCC3)C1 ZINC000626162378 1125380954 /nfs/dbraw/zinc/38/09/54/1125380954.db2.gz TUXCDWQIXDMUOV-PYLYLYNFSA-N 0 1 274.408 3.732 20 0 CHADMN CCSc1ccc(CNCc2ccc3c(n2)CCC3)cc1 ZINC000883235408 1125382356 /nfs/dbraw/zinc/38/23/56/1125382356.db2.gz BTEIIAPCBCRDAN-UHFFFAOYSA-N 0 1 298.455 3.972 20 0 CHADMN C/C=C\C[C@H]1CCCN(Cc2ncc(C3CC3)o2)C1 ZINC000626164009 1125382968 /nfs/dbraw/zinc/38/29/68/1125382968.db2.gz UXGSIPCZIPVDHH-ZRMMWKCHSA-N 0 1 260.381 3.730 20 0 CHADMN CC[C@@H](CC(=O)NC[C@H](c1cccs1)N(C)C)C(C)C ZINC000104204478 1125383214 /nfs/dbraw/zinc/38/32/14/1125383214.db2.gz KJDWXTLGVPMEOS-UONOGXRCSA-N 0 1 296.480 3.539 20 0 CHADMN Cc1ccc(F)cc1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000104199940 1125383447 /nfs/dbraw/zinc/38/34/47/1125383447.db2.gz XKHQGKRUEPEDJW-MRXNPFEDSA-N 0 1 292.398 3.583 20 0 CHADMN CC1(CN[C@H](c2ncc[nH]2)c2ccccc2)CC(F)(F)C1 ZINC000883256431 1125386038 /nfs/dbraw/zinc/38/60/38/1125386038.db2.gz XNIDMRXTGKOMEH-ZDUSSCGKSA-N 0 1 291.345 3.524 20 0 CHADMN C[C@@H](CCCC(F)(F)F)NC1(c2ncccn2)CCC1 ZINC000883312270 1125393330 /nfs/dbraw/zinc/39/33/30/1125393330.db2.gz YMHCNONWLRFXQL-NSHDSACASA-N 0 1 287.329 3.567 20 0 CHADMN CC1CCC(NC2(c3ccc(Cl)cc3)COC2)CC1 ZINC001168201360 1125393698 /nfs/dbraw/zinc/39/36/98/1125393698.db2.gz RNMBGVFAGXHSHW-UHFFFAOYSA-N 0 1 279.811 3.734 20 0 CHADMN c1c[nH]c([C@H](N[C@@H]2C[C@@H]3CCCC[C@H]23)c2ccccc2)n1 ZINC000883322560 1125396462 /nfs/dbraw/zinc/39/64/62/1125396462.db2.gz KXSJRLQXTSRDNP-MWDXBVQZSA-N 0 1 281.403 3.667 20 0 CHADMN c1oc(-c2ccccc2)nc1CNC[C@H]1CCC2(CCC2)O1 ZINC000883364688 1125402108 /nfs/dbraw/zinc/40/21/08/1125402108.db2.gz MLCDCTIXEWJODF-MRXNPFEDSA-N 0 1 298.386 3.533 20 0 CHADMN Cc1cn[nH]c1CNc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000883369178 1125403352 /nfs/dbraw/zinc/40/33/52/1125403352.db2.gz LGSSZVDTGHBUBJ-LBPRGKRZSA-N 0 1 287.260 3.903 20 0 CHADMN Cc1cc(Cl)nc(CNCc2ccc(F)cc2C)c1 ZINC000282043951 1125408659 /nfs/dbraw/zinc/40/86/59/1125408659.db2.gz OZEXSPNBJLBTMY-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN Fc1cc(Br)cc(CN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000148087821 1125408290 /nfs/dbraw/zinc/40/82/90/1125408290.db2.gz HOZSYSPGLQUDIU-TXEJJXNPSA-N 0 1 298.199 3.820 20 0 CHADMN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C ZINC000532549394 1125409857 /nfs/dbraw/zinc/40/98/57/1125409857.db2.gz AWSCYKXUKYVQPE-LSDHHAIUSA-N 0 1 290.451 3.539 20 0 CHADMN CC1(C)Nc2ccccc2[C@@H]1NCc1ccc(Cl)cn1 ZINC000883464420 1125411755 /nfs/dbraw/zinc/41/17/55/1125411755.db2.gz MZIKNZMNMGYSML-HNNXBMFYSA-N 0 1 287.794 3.770 20 0 CHADMN CC(C)Cc1ccccc1CN1CCOC2(CCC2)C1 ZINC001168208564 1125412515 /nfs/dbraw/zinc/41/25/15/1125412515.db2.gz RYOWXWQBEPTWBP-UHFFFAOYSA-N 0 1 273.420 3.640 20 0 CHADMN CC(C)CCCCCCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000132063263 1125413902 /nfs/dbraw/zinc/41/39/02/1125413902.db2.gz QUGKNFYZAVLRSR-AWEZNQCLSA-N 0 1 291.439 3.552 20 0 CHADMN CC[C@H]1CCCCCN1CC(=O)Nc1ccccc1Cl ZINC000532571240 1125414763 /nfs/dbraw/zinc/41/47/63/1125414763.db2.gz FKDBJDBKSDMGHK-ZDUSSCGKSA-N 0 1 294.826 3.933 20 0 CHADMN CSc1cccc(NC(=O)c2cc(-c3ccco3)n[nH]2)c1 ZINC000028437136 1125415086 /nfs/dbraw/zinc/41/50/86/1125415086.db2.gz DWDDGMMDGWLMJH-UHFFFAOYSA-N 0 1 299.355 3.644 20 0 CHADMN CC[C@]1(C)CCCN(Cc2nc(C)c3ccccc3n2)C1 ZINC000532569747 1125415523 /nfs/dbraw/zinc/41/55/23/1125415523.db2.gz QKDVFNCFEHVFRL-GOSISDBHSA-N 0 1 283.419 3.950 20 0 CHADMN CC(C)(NCc1ccncc1Cl)c1ccccc1 ZINC000310707974 1125416068 /nfs/dbraw/zinc/41/60/68/1125416068.db2.gz JBJJZEVPYKJWHG-UHFFFAOYSA-N 0 1 260.768 3.760 20 0 CHADMN CC1CCC(N2CCOC[C@H]2c2ccc(F)cc2)CC1 ZINC001168223761 1125420238 /nfs/dbraw/zinc/42/02/38/1125420238.db2.gz AYCDHESCADQMDP-IMRCBTMISA-N 0 1 277.383 3.778 20 0 CHADMN C[C@@H]1CC[C@@H](CNC2(c3c(F)cccc3F)CCC2)O1 ZINC000626179001 1125420241 /nfs/dbraw/zinc/42/02/41/1125420241.db2.gz RLXKOSQKQZLBMQ-NEPJUHHUSA-N 0 1 281.346 3.501 20 0 CHADMN CCc1nocc1CN1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000508663730 1125420518 /nfs/dbraw/zinc/42/05/18/1125420518.db2.gz HQFQOFBSMRIQEU-SJKOYZFVSA-N 0 1 288.366 3.959 20 0 CHADMN CCc1ccc(CN(C)Cc2cnc3cccc(C)n23)cc1 ZINC001137197847 1125428669 /nfs/dbraw/zinc/42/86/69/1125428669.db2.gz PVBDIWAXWVRFOO-UHFFFAOYSA-N 0 1 293.414 3.837 20 0 CHADMN C[C@H](Cc1cccc(Cl)c1)NCc1cscn1 ZINC000040504478 1125430445 /nfs/dbraw/zinc/43/04/45/1125430445.db2.gz RUIAIQPZHDSTGI-SNVBAGLBSA-N 0 1 266.797 3.517 20 0 CHADMN c1sc(-c2ccccn2)nc1CN1CCC2(CCC2)C1 ZINC000123542172 1125431524 /nfs/dbraw/zinc/43/15/24/1125431524.db2.gz LUHZFWCWZNAICW-UHFFFAOYSA-N 0 1 285.416 3.581 20 0 CHADMN Brc1ccc(CN2C[C@@H]3CCC[C@H]3C2)s1 ZINC000148092909 1125431953 /nfs/dbraw/zinc/43/19/53/1125431953.db2.gz HBZQXFYUHJGNOP-UWVGGRQHSA-N 0 1 286.238 3.743 20 0 CHADMN C[C@@H](N(C)C(=O)c1cc(C2CCCCC2)[nH]n1)C1(C)CC1 ZINC000123739373 1125432898 /nfs/dbraw/zinc/43/28/98/1125432898.db2.gz QCPBPKXIBOKPFY-GFCCVEGCSA-N 0 1 289.423 3.718 20 0 CHADMN C[C@H]1CCCC[N@H+]1Cc1csc(-c2ccccn2)n1 ZINC000124167718 1125435291 /nfs/dbraw/zinc/43/52/91/1125435291.db2.gz XDCMDFOPIZUGPJ-LBPRGKRZSA-N 0 1 273.405 3.580 20 0 CHADMN C[C@H]1CCCCN1Cc1csc(-c2ccccn2)n1 ZINC000124167718 1125435292 /nfs/dbraw/zinc/43/52/92/1125435292.db2.gz XDCMDFOPIZUGPJ-LBPRGKRZSA-N 0 1 273.405 3.580 20 0 CHADMN c1c[nH]c([C@@H]2CCCN2CCCC2CCCCC2)n1 ZINC000348256571 1125446420 /nfs/dbraw/zinc/44/64/20/1125446420.db2.gz UPHUPHDAEJVJHN-HNNXBMFYSA-N 0 1 261.413 3.907 20 0 CHADMN C[C@H](NCc1ccc(Cl)c(F)c1)c1cccnc1 ZINC000043388486 1125447908 /nfs/dbraw/zinc/44/79/08/1125447908.db2.gz MMSSWRPOSWHONF-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1cccc(F)c1F ZINC000126397252 1125453674 /nfs/dbraw/zinc/45/36/74/1125453674.db2.gz ARDLQIWMUUUKCY-SNVBAGLBSA-N 0 1 259.365 3.538 20 0 CHADMN CCOC[C@@H](C)NCc1cccc(Cl)c1Cl ZINC000044689815 1125455094 /nfs/dbraw/zinc/45/50/94/1125455094.db2.gz AHEQTGVSAVSYDF-SECBINFHSA-N 0 1 262.180 3.508 20 0 CHADMN Cc1cccc(-c2ccc(CNCc3cncn3C)cc2)c1 ZINC000126575430 1125455193 /nfs/dbraw/zinc/45/51/93/1125455193.db2.gz WLCAXXVMFWPYQQ-UHFFFAOYSA-N 0 1 291.398 3.685 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2nccnc2C)cc1 ZINC000621710683 1129182971 /nfs/dbraw/zinc/18/29/71/1129182971.db2.gz LYKVMCROOOFBHH-SFHVURJKSA-N 0 1 297.402 3.521 20 0 CHADMN Cc1cc(F)ccc1[C@@H]1CCCN1Cc1nccnc1C ZINC000621730407 1129186891 /nfs/dbraw/zinc/18/68/91/1129186891.db2.gz KSZKIWKZWCCHFU-KRWDZBQOSA-N 0 1 285.366 3.570 20 0 CHADMN COc1ccc(CN(Cc2nccnc2C)C(C)(C)C)cc1 ZINC000621728454 1129187028 /nfs/dbraw/zinc/18/70/28/1129187028.db2.gz PVTYOKGKZNITEZ-UHFFFAOYSA-N 0 1 299.418 3.594 20 0 CHADMN CCCCC1CCC(C(=O)N(C)Cc2cn[nH]c2C)CC1 ZINC000636064893 1129197136 /nfs/dbraw/zinc/19/71/36/1129197136.db2.gz JHKRYFRWTURKFD-UHFFFAOYSA-N 0 1 291.439 3.673 20 0 CHADMN CC(F)(F)CCNCc1csc(C(C)(C)C)n1 ZINC000294265819 1129214400 /nfs/dbraw/zinc/21/44/00/1129214400.db2.gz RJWBZHLSYILREV-UHFFFAOYSA-N 0 1 262.369 3.576 20 0 CHADMN C[C@H](N[C@@H]1CCn2ccnc21)c1cccc2ccccc21 ZINC000294207438 1129214438 /nfs/dbraw/zinc/21/44/38/1129214438.db2.gz TZPIMDPTIGSNHZ-SUMWQHHRSA-N 0 1 277.371 3.832 20 0 CHADMN Cc1cc(C)c(COc2ccccc2-c2nnc[nH]2)c(C)c1 ZINC000165366707 1129214919 /nfs/dbraw/zinc/21/49/19/1129214919.db2.gz SHLUSXNBQCHQJC-UHFFFAOYSA-N 0 1 293.370 3.976 20 0 CHADMN COc1nccc(CN[C@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000294766935 1129216874 /nfs/dbraw/zinc/21/68/74/1129216874.db2.gz MLCMKWLOEBJISN-CQSZACIVSA-N 0 1 299.418 3.535 20 0 CHADMN CCn1ccnc1CN[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000295843696 1129219821 /nfs/dbraw/zinc/21/98/21/1129219821.db2.gz ARFQMKPZXKKCPJ-MRXNPFEDSA-N 0 1 294.402 3.552 20 0 CHADMN CCOc1ncccc1CN[C@H]1CCCc2ccc(C)cc21 ZINC000166119820 1129221017 /nfs/dbraw/zinc/22/10/17/1129221017.db2.gz FSCPYTGJPUITSY-SFHVURJKSA-N 0 1 296.414 3.956 20 0 CHADMN COc1nccc(CN[C@@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000296482910 1129222335 /nfs/dbraw/zinc/22/23/35/1129222335.db2.gz QEIZDDUNTKNKNR-ZDUSSCGKSA-N 0 1 299.418 3.634 20 0 CHADMN C[C@@H](NCc1csc(Br)c1)c1ccoc1 ZINC000166601416 1129225149 /nfs/dbraw/zinc/22/51/49/1129225149.db2.gz BNGNSIXZGZNZQK-MRVPVSSYSA-N 0 1 286.194 3.954 20 0 CHADMN COC(=O)c1sccc1CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000336888708 1129226163 /nfs/dbraw/zinc/22/61/63/1129226163.db2.gz FMDFSFDKQPOHOG-YPMHNXCESA-N 0 1 281.421 3.545 20 0 CHADMN c1coc(C[N@H+](CCC[C@H]2CCO2)Cc2cccs2)c1 ZINC000637852148 1129231989 /nfs/dbraw/zinc/23/19/89/1129231989.db2.gz TUXSUXMZZCSKGC-AWEZNQCLSA-N 0 1 291.416 3.912 20 0 CHADMN CCCCc1ccc(NC(=O)c2oc(CN)cc2C)cc1 ZINC000637871583 1129233799 /nfs/dbraw/zinc/23/37/99/1129233799.db2.gz QHBWXBKMWKZNBD-UHFFFAOYSA-N 0 1 286.375 3.642 20 0 CHADMN Cc1ncc([C@H](C)N2Cc3ccccc3C[C@H]2C)c(C)n1 ZINC000638114972 1129244079 /nfs/dbraw/zinc/24/40/79/1129244079.db2.gz DKOCKKOIPDPCOD-OCCSQVGLSA-N 0 1 281.403 3.601 20 0 CHADMN Cc1cc(CN)oc1C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000638285521 1129252731 /nfs/dbraw/zinc/25/27/31/1129252731.db2.gz HPNRBBHBLKHWFW-GFCCVEGCSA-N 0 1 298.386 3.591 20 0 CHADMN CC(C)Oc1ccc(CNCc2cnc(Cl)s2)cc1 ZINC000718189805 1129257682 /nfs/dbraw/zinc/25/76/82/1129257682.db2.gz NFVUCSRZTHYLPH-UHFFFAOYSA-N 0 1 296.823 3.874 20 0 CHADMN Cc1cc(CN)oc1C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000638421280 1129257782 /nfs/dbraw/zinc/25/77/82/1129257782.db2.gz UBVHFMZLSPTWOH-UHFFFAOYSA-N 0 1 296.370 3.649 20 0 CHADMN Cc1ccc(C2CCN(Cc3cc(C4CC4)no3)CC2)cn1 ZINC000660243766 1129258148 /nfs/dbraw/zinc/25/81/48/1129258148.db2.gz ABMVJCLZGHAKDL-UHFFFAOYSA-N 0 1 297.402 3.635 20 0 CHADMN CC(C)(C)Oc1ccc(CNCc2ccns2)cc1 ZINC000638443913 1129258623 /nfs/dbraw/zinc/25/86/23/1129258623.db2.gz XCOIQRDHSDPXLK-UHFFFAOYSA-N 0 1 276.405 3.610 20 0 CHADMN Cc1cc(CN[C@H]2CCc3c2cccc3C)sn1 ZINC000638544816 1129262080 /nfs/dbraw/zinc/26/20/80/1129262080.db2.gz LEPQPKLXCGADLU-HNNXBMFYSA-N 0 1 258.390 3.537 20 0 CHADMN CCc1ccccc1CNCc1nc2ccccc2nc1C ZINC000638679714 1129265486 /nfs/dbraw/zinc/26/54/86/1129265486.db2.gz AIRMYDCRNMZMNM-UHFFFAOYSA-N 0 1 291.398 3.790 20 0 CHADMN C[C@@H](NCc1c(F)cccc1OC(F)F)[C@@H]1CC1(F)F ZINC000638699959 1129266862 /nfs/dbraw/zinc/26/68/62/1129266862.db2.gz DQACMYOOESJQDA-APPZFPTMSA-N 0 1 295.251 3.560 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1ccc2cccnc2c1 ZINC000733798546 1129271256 /nfs/dbraw/zinc/27/12/56/1129271256.db2.gz VLPBGHHKEHEIPU-LLVKDONJSA-N 0 1 281.359 3.690 20 0 CHADMN Cc1cccc(CN(C)Cc2cccc(C(F)F)c2)n1 ZINC000348051757 1129275046 /nfs/dbraw/zinc/27/50/46/1129275046.db2.gz MYQBAXVNRVFCGY-UHFFFAOYSA-N 0 1 276.330 3.960 20 0 CHADMN C[C@H]1SCCN(Cc2cccc(C(F)F)c2)[C@H]1C ZINC000348027697 1129275288 /nfs/dbraw/zinc/27/52/88/1129275288.db2.gz FXDVEVKEIYMQRI-WDEREUQCSA-N 0 1 271.376 3.950 20 0 CHADMN Cc1ncc([C@H](C)N2C[C@@H](C)C[C@H]2c2cccnc2)c(C)n1 ZINC000639045621 1129277606 /nfs/dbraw/zinc/27/76/06/1129277606.db2.gz LFILMYYWXHIEJT-YEWDVWPNSA-N 0 1 296.418 3.633 20 0 CHADMN Cc1cc([C@@H](C)NCCSc2ccc(C)cc2)no1 ZINC000282704947 1129279746 /nfs/dbraw/zinc/27/97/46/1129279746.db2.gz LBLSFXXIEBSTGZ-CYBMUJFWSA-N 0 1 276.405 3.734 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@@H](c2cnn(C)c2)C(C)(C)C)c1 ZINC000348092427 1129280176 /nfs/dbraw/zinc/28/01/76/1129280176.db2.gz PHOCLHVNZRFLRI-CJNGLKHVSA-N 0 1 286.423 3.562 20 0 CHADMN CC1(C)CN(Cc2oc3ccccc3c2Cl)CC[C@H]1O ZINC000639086509 1129280568 /nfs/dbraw/zinc/28/05/68/1129280568.db2.gz VPOBADKYNZQHTJ-CQSZACIVSA-N 0 1 293.794 3.679 20 0 CHADMN CC(C)c1ccc(CNCc2cccc3c2OCCO3)cc1 ZINC000378885539 1129284363 /nfs/dbraw/zinc/28/43/63/1129284363.db2.gz LTICXDYBGYEJSE-UHFFFAOYSA-N 0 1 297.398 3.871 20 0 CHADMN CN(C)Cc1ccc(NCCC2CCOCC2)cc1Cl ZINC000639125641 1129284753 /nfs/dbraw/zinc/28/47/53/1129284753.db2.gz YLHJTWIIXKVGKL-UHFFFAOYSA-N 0 1 296.842 3.630 20 0 CHADMN Cc1cc(CNCc2ccc(-n3ccnc3)c(F)c2)c(C)o1 ZINC000734003462 1129290701 /nfs/dbraw/zinc/29/07/01/1129290701.db2.gz FAOCYJZUMKNTDO-UHFFFAOYSA-N 0 1 299.349 3.511 20 0 CHADMN c1c(CNC[C@H]2CC[C@@H](c3ccccc3)O2)onc1C1CC1 ZINC000639190174 1129290745 /nfs/dbraw/zinc/29/07/45/1129290745.db2.gz LVWDCRLHRYHYJG-QAPCUYQASA-N 0 1 298.386 3.562 20 0 CHADMN CCCc1nc(C)c(CNCc2cc3ccccc3n2C)o1 ZINC000639204259 1129292359 /nfs/dbraw/zinc/29/23/59/1129292359.db2.gz QCUAIRIZWNBQNE-UHFFFAOYSA-N 0 1 297.402 3.717 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3c(F)cccc32)sn1 ZINC000639215938 1129292926 /nfs/dbraw/zinc/29/29/26/1129292926.db2.gz MFICNXAEGHSIKU-OAHLLOKOSA-N 0 1 276.380 3.758 20 0 CHADMN Cc1cnc(CNC[C@H]2CCC[C@H]2c2ccccc2)o1 ZINC000639218949 1129294249 /nfs/dbraw/zinc/29/42/49/1129294249.db2.gz KBBQVMWURUFVPB-CVEARBPZSA-N 0 1 270.376 3.657 20 0 CHADMN CCCN(Cc1nonc1C)[C@@H](CC)c1ccccc1 ZINC000734147186 1129297586 /nfs/dbraw/zinc/29/75/86/1129297586.db2.gz MRILMMRWIUEXBY-INIZCTEOSA-N 0 1 273.380 3.741 20 0 CHADMN Cn1c(CN[C@H]2COCc3ccccc32)cc2ccccc21 ZINC000639271647 1129298566 /nfs/dbraw/zinc/29/85/66/1129298566.db2.gz PAAFCKDQZBWZGU-SFHVURJKSA-N 0 1 292.382 3.539 20 0 CHADMN Fc1cccc2c1C[C@H](NCc1ncc(Cl)s1)CC2 ZINC001170976642 1131364631 /nfs/dbraw/zinc/36/46/31/1131364631.db2.gz WBNDAIZPDHSWCK-SNVBAGLBSA-N 0 1 296.798 3.583 20 0 CHADMN Cc1cc(CNC2(c3cccc(F)c3)CCC2)sn1 ZINC000639299704 1129300658 /nfs/dbraw/zinc/30/06/58/1129300658.db2.gz SVPKSADPHNRYFC-UHFFFAOYSA-N 0 1 276.380 3.760 20 0 CHADMN Cc1ccc(CC2CN([C@@H](C)c3cnc(C)nc3C)C2)cc1 ZINC000639314994 1129301341 /nfs/dbraw/zinc/30/13/41/1129301341.db2.gz BKSOKQRIICADGR-HNNXBMFYSA-N 0 1 295.430 3.637 20 0 CHADMN C[C@@H](NC(=O)CCC1CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000734322763 1129304628 /nfs/dbraw/zinc/30/46/28/1129304628.db2.gz BXBJIZRIJLBABQ-SECBINFHSA-N 0 1 291.782 3.584 20 0 CHADMN Fc1cccc2c1C[C@@H](NCc1ncc(Cl)s1)CC2 ZINC001170976641 1131365066 /nfs/dbraw/zinc/36/50/66/1131365066.db2.gz WBNDAIZPDHSWCK-JTQLQIEISA-N 0 1 296.798 3.583 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000639366791 1129307598 /nfs/dbraw/zinc/30/75/98/1129307598.db2.gz NOKMJERRBHNIKR-HKUYNNGSSA-N 0 1 299.389 3.832 20 0 CHADMN Cc1ccc(CN2CC[C@H](O)C[C@H]2c2ccccc2)cc1F ZINC000639366976 1129308235 /nfs/dbraw/zinc/30/82/35/1129308235.db2.gz OISSTIQSOHXOKY-HKUYNNGSSA-N 0 1 299.389 3.832 20 0 CHADMN CCCCC[C@@H](NC(=O)c1[nH]nc(C)c1C)C(C)(C)C ZINC000734447773 1129309257 /nfs/dbraw/zinc/30/92/57/1129309257.db2.gz FPMNRHUYIWYBNK-CYBMUJFWSA-N 0 1 279.428 3.751 20 0 CHADMN COCc1cnc(CN2CCC[C@@H](C3CCC3)CC2)s1 ZINC000639391565 1129309727 /nfs/dbraw/zinc/30/97/27/1129309727.db2.gz FSKPQMGMMVNDSJ-CQSZACIVSA-N 0 1 294.464 3.692 20 0 CHADMN CC1(C)CN(Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000639407326 1129311682 /nfs/dbraw/zinc/31/16/82/1129311682.db2.gz XOVGAUUSCQUVBL-UHFFFAOYSA-N 0 1 282.387 3.502 20 0 CHADMN CCN(CC(C)=O)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000639462893 1129317449 /nfs/dbraw/zinc/31/74/49/1129317449.db2.gz FMUDHPXHQKVJDV-NSHDSACASA-N 0 1 273.298 3.677 20 0 CHADMN Cc1cc(C)c(CN(C)[C@@H](C)c2ccco2)c(C)n1 ZINC000639461622 1129317823 /nfs/dbraw/zinc/31/78/23/1129317823.db2.gz GQSZHOUFXBNNHJ-AWEZNQCLSA-N 0 1 258.365 3.793 20 0 CHADMN COc1ccc(CC[C@H](C)N(C)Cc2cscn2)cc1 ZINC001258407635 1129323595 /nfs/dbraw/zinc/32/35/95/1129323595.db2.gz GIGSLQRIDUCKFY-ZDUSSCGKSA-N 0 1 290.432 3.605 20 0 CHADMN CC(C)(C)C1CCN(C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000734835646 1129324571 /nfs/dbraw/zinc/32/45/71/1129324571.db2.gz DDVMEYPFITVKJC-OAHLLOKOSA-N 0 1 297.389 3.756 20 0 CHADMN CC(C)(C)C1CCN(C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000734835652 1129324694 /nfs/dbraw/zinc/32/46/94/1129324694.db2.gz DFDFYOKCEMOOHE-MRXNPFEDSA-N 0 1 297.389 3.756 20 0 CHADMN C[C@H](COC(=O)c1cc(-c2ccco2)n[nH]1)c1ccccc1 ZINC000735131897 1129332374 /nfs/dbraw/zinc/33/23/74/1129332374.db2.gz OGHQNWSRUFDFCY-GFCCVEGCSA-N 0 1 296.326 3.630 20 0 CHADMN Clc1cnc(CNc2ccc3c(n2)CCCC3)s1 ZINC000719423822 1129333859 /nfs/dbraw/zinc/33/38/59/1129333859.db2.gz ZPXPNCQALRWKQI-UHFFFAOYSA-N 0 1 279.796 3.682 20 0 CHADMN CC[C@@](C)(NCc1cccc(C)n1)c1ccc(F)cc1 ZINC000639929357 1129340820 /nfs/dbraw/zinc/34/08/20/1129340820.db2.gz TZDQVJKNRRWKJS-QGZVFWFLSA-N 0 1 272.367 3.944 20 0 CHADMN CC(C)CCC1CCN(C(=O)c2cc(C(F)F)[nH]n2)CC1 ZINC000639942830 1129341483 /nfs/dbraw/zinc/34/14/83/1129341483.db2.gz LNOZRUSAFUSSKP-UHFFFAOYSA-N 0 1 299.365 3.636 20 0 CHADMN C[C@H]1C[C@H](NCc2nc3c(s2)CCC3)c2ccccc21 ZINC000719557094 1129344100 /nfs/dbraw/zinc/34/41/00/1129344100.db2.gz BCKLTIHAQWBMIG-NHYWBVRUSA-N 0 1 284.428 3.970 20 0 CHADMN C[C@@](CO)(NC/C=C/Cl)c1cc(Cl)cc(Cl)c1 ZINC000832303813 1129344940 /nfs/dbraw/zinc/34/49/40/1129344940.db2.gz PXFSIFFKLQYMPZ-JDGPPOGSSA-N 0 1 294.609 3.543 20 0 CHADMN CN(C(=O)c1cc(C(F)F)[nH]n1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000640411161 1129357593 /nfs/dbraw/zinc/35/75/93/1129357593.db2.gz PHKMRSKRZGVSMZ-CABZTGNLSA-N 0 1 299.365 3.634 20 0 CHADMN Cc1cc(C)cc(COC(=O)c2c(F)cc(O)cc2F)c1 ZINC000735951623 1129361194 /nfs/dbraw/zinc/36/11/94/1129361194.db2.gz KHLUFIIGNKLPSF-UHFFFAOYSA-N 0 1 292.281 3.644 20 0 CHADMN CC[C@@H](C(=O)OCc1ccccc1Cl)N(CC)CC ZINC000735988710 1129363939 /nfs/dbraw/zinc/36/39/39/1129363939.db2.gz KMWQBLWMDDNIMB-AWEZNQCLSA-N 0 1 283.799 3.504 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2cccnc21)c1ccc(F)cc1 ZINC000091660252 1129366756 /nfs/dbraw/zinc/36/67/56/1129366756.db2.gz ZQVXMFWBGYJJPI-MLGOLLRUSA-N 0 1 270.351 3.949 20 0 CHADMN Cc1cccc(CN2Cc3ccccc3[C@H](C)C2)n1 ZINC000736308516 1129371989 /nfs/dbraw/zinc/37/19/89/1129371989.db2.gz PAXPYBQOBNXQKJ-CYBMUJFWSA-N 0 1 252.361 3.509 20 0 CHADMN Cc1nc(C)c(CNCc2nccc3ccccc32)s1 ZINC000736639348 1129378255 /nfs/dbraw/zinc/37/82/55/1129378255.db2.gz SXXHIUOZOALTSD-UHFFFAOYSA-N 0 1 283.400 3.598 20 0 CHADMN CC(C)(C)c1cc(CN2CCCC3(CC3)CC2)no1 ZINC000626115471 1129384122 /nfs/dbraw/zinc/38/41/22/1129384122.db2.gz VASATWCETRUHCQ-UHFFFAOYSA-N 0 1 262.397 3.738 20 0 CHADMN CCc1ccc(CNCc2ccc(SC)o2)s1 ZINC000641707640 1129387172 /nfs/dbraw/zinc/38/71/72/1129387172.db2.gz NNUGCCBNYVPDSX-UHFFFAOYSA-N 0 1 267.419 3.915 20 0 CHADMN CCOCc1ccccc1CNCc1ccc(SC)o1 ZINC000641705512 1129387619 /nfs/dbraw/zinc/38/76/19/1129387619.db2.gz RDVBPGKKYDOUSE-UHFFFAOYSA-N 0 1 291.416 3.828 20 0 CHADMN COc1cccnc1CN[C@@H](c1ccccc1)C1CCC1 ZINC000641779943 1129391155 /nfs/dbraw/zinc/39/11/55/1129391155.db2.gz TYWPMRBQIDRZNN-SFHVURJKSA-N 0 1 282.387 3.721 20 0 CHADMN C[C@@H]1c2ccc(F)cc2CCN1C[C@@H]1CC1(Cl)Cl ZINC000738882746 1129399165 /nfs/dbraw/zinc/39/91/65/1129399165.db2.gz UMWCHISDUYMVOZ-KOLCDFICSA-N 0 1 288.193 3.939 20 0 CHADMN Cc1ccc(NC(=O)CN(CCC(C)C)C2CC2)cc1F ZINC000641977016 1129399242 /nfs/dbraw/zinc/39/92/42/1129399242.db2.gz RETDBHQUWRCTKC-UHFFFAOYSA-N 0 1 292.398 3.583 20 0 CHADMN CCCc1cc(C(=O)N(CCC(C)C)CCC(C)C)n[nH]1 ZINC000642111920 1129406384 /nfs/dbraw/zinc/40/63/84/1129406384.db2.gz YCAWJFRIZWFKQZ-UHFFFAOYSA-N 0 1 293.455 3.897 20 0 CHADMN C[C@@H]1CCC[C@H](N(C)Cc2ncc(C(C)(C)C)o2)C1 ZINC000642189884 1129409298 /nfs/dbraw/zinc/40/92/98/1129409298.db2.gz ACEZFGKREGBUBD-OLZOCXBDSA-N 0 1 264.413 3.983 20 0 CHADMN CN(Cc1ncc(C(C)(C)C)o1)CC1CCCCC1 ZINC000642187710 1129409545 /nfs/dbraw/zinc/40/95/45/1129409545.db2.gz OJBMEZBOCBPOGL-UHFFFAOYSA-N 0 1 264.413 3.984 20 0 CHADMN Cc1noc([C@H](C)NCC2(c3ccccc3)CCCCC2)n1 ZINC000642194970 1129409607 /nfs/dbraw/zinc/40/96/07/1129409607.db2.gz PSITYMJLZBINJH-AWEZNQCLSA-N 0 1 299.418 3.931 20 0 CHADMN Cc1ccccc1-c1noc(CN(C)[C@H](C)C(C)C)n1 ZINC000642253162 1129411950 /nfs/dbraw/zinc/41/19/50/1129411950.db2.gz HOJCHWYOYAQXGQ-CYBMUJFWSA-N 0 1 273.380 3.521 20 0 CHADMN Cc1nc2c(nc(Cl)nc2NC[C@@H]2CCCC[C@@H]2C)[nH]1 ZINC001155072129 1129415537 /nfs/dbraw/zinc/41/55/37/1129415537.db2.gz HMEAUSJMRRJHHI-WPRPVWTQSA-N 0 1 293.802 3.505 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCCN(C)Cc1ccccc1F ZINC000642524647 1129419369 /nfs/dbraw/zinc/41/93/69/1129419369.db2.gz ODKIBTHDXQKDDQ-PBHICJAKSA-N 0 1 279.399 3.853 20 0 CHADMN C[C@H]1CCCC[C@@H]1OCCN(C)Cc1ccccc1F ZINC000642524650 1129419440 /nfs/dbraw/zinc/41/94/40/1129419440.db2.gz ODKIBTHDXQKDDQ-YOEHRIQHSA-N 0 1 279.399 3.853 20 0 CHADMN CCc1ccc(-c2noc(CN(CC)CC(C)C)n2)cc1 ZINC000642526914 1129419843 /nfs/dbraw/zinc/41/98/43/1129419843.db2.gz OINCLOFKRYBWHE-UHFFFAOYSA-N 0 1 287.407 3.777 20 0 CHADMN CC1(C)CN(CCOC2CCCCCC2)C(C)(C)CO1 ZINC000740877767 1129423012 /nfs/dbraw/zinc/42/30/12/1129423012.db2.gz FSWZBYSLSMIQGD-UHFFFAOYSA-N 0 1 283.456 3.615 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2cccc(C)n2)c(C)o1 ZINC000093453479 1129423454 /nfs/dbraw/zinc/42/34/54/1129423454.db2.gz OXIGRANVEXYJSR-KRWDZBQOSA-N 0 1 270.376 3.937 20 0 CHADMN CC[N@@H+](Cc1cccc(F)c1)Cc1cnc2ccccc2n1 ZINC001138865788 1129424804 /nfs/dbraw/zinc/42/48/04/1129424804.db2.gz UIBCCHIPLRFQQH-UHFFFAOYSA-N 0 1 295.361 3.791 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cnc2ccccc2n1 ZINC001138865788 1129424805 /nfs/dbraw/zinc/42/48/05/1129424805.db2.gz UIBCCHIPLRFQQH-UHFFFAOYSA-N 0 1 295.361 3.791 20 0 CHADMN C[C@H](COC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000741018675 1129426474 /nfs/dbraw/zinc/42/64/74/1129426474.db2.gz UOGULGKRXVXPNB-FPCVCCKLSA-N 0 1 289.419 3.595 20 0 CHADMN Cc1cc(COC(=O)[C@@H](C(C)C)N2CCCC2)c(C)s1 ZINC000741016412 1129426477 /nfs/dbraw/zinc/42/64/77/1129426477.db2.gz ILKWYQAKMNEXET-OAHLLOKOSA-N 0 1 295.448 3.529 20 0 CHADMN CC[C@@H](C(=O)OCc1ccc(SC)cc1)N(CC)CC ZINC000741032971 1129426492 /nfs/dbraw/zinc/42/64/92/1129426492.db2.gz OGZJPRFOZDYRJB-HNNXBMFYSA-N 0 1 295.448 3.572 20 0 CHADMN Cc1cccc(C)c1COC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000741016361 1129426772 /nfs/dbraw/zinc/42/67/72/1129426772.db2.gz HVHWRYBFBKNMEI-JYJNAYRXSA-N 0 1 289.419 3.608 20 0 CHADMN C[C@H](C(=O)OCc1cccc(Cl)c1)N1[C@H](C)CC[C@H]1C ZINC000741018395 1129426873 /nfs/dbraw/zinc/42/68/73/1129426873.db2.gz FLERALBDGPIYQT-JHJVBQTASA-N 0 1 295.810 3.645 20 0 CHADMN Cc1cccc(COC(=O)[C@@H](C(C)C)N2CCCCC2)c1 ZINC000741012148 1129426991 /nfs/dbraw/zinc/42/69/91/1129426991.db2.gz JMTIYSBIZLVNNM-QGZVFWFLSA-N 0 1 289.419 3.549 20 0 CHADMN Cc1n[nH]c(C2CC2)c1-c1nc(-c2ccccc2C)no1 ZINC001212959305 1129430880 /nfs/dbraw/zinc/43/08/80/1129430880.db2.gz DMHYJVCHMDHDEO-UHFFFAOYSA-N 0 1 280.331 3.621 20 0 CHADMN CCc1nn(C)cc1CN(Cc1ccco1)C1CCCC1 ZINC000179683377 1129431802 /nfs/dbraw/zinc/43/18/02/1129431802.db2.gz UZRQUSNBOFILEC-UHFFFAOYSA-N 0 1 287.407 3.520 20 0 CHADMN O=C(CCCC1CC1)Nc1cccc(Cl)c1O ZINC000643206022 1129431894 /nfs/dbraw/zinc/43/18/94/1129431894.db2.gz VKXNAWORBZNESN-UHFFFAOYSA-N 0 1 253.729 3.564 20 0 CHADMN FC(F)(F)C[C@@H]1CCCN(Cc2n[nH]c3ccccc32)C1 ZINC000643294955 1129436312 /nfs/dbraw/zinc/43/63/12/1129436312.db2.gz YEJRKVBEIJQSLZ-NSHDSACASA-N 0 1 297.324 3.727 20 0 CHADMN CN(Cc1ncccc1Br)C1(C)CCCC1 ZINC000720334262 1129446323 /nfs/dbraw/zinc/44/63/23/1129446323.db2.gz JVBNBIUONQZBBU-UHFFFAOYSA-N 0 1 283.213 3.609 20 0 CHADMN CCOc1ccc(F)cc1-c1cccc2cncn21 ZINC001241103539 1129447187 /nfs/dbraw/zinc/44/71/87/1129447187.db2.gz JFAQFXIQCGICRO-UHFFFAOYSA-N 0 1 256.280 3.539 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@@H](C)c1c[nH]nc1C ZINC000180179739 1129456719 /nfs/dbraw/zinc/45/67/19/1129456719.db2.gz WJROXCBVUIDZDR-XHDPSFHLSA-N 0 1 287.407 3.984 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1oc2ccc(F)cc2c1C ZINC000180237075 1129463230 /nfs/dbraw/zinc/46/32/30/1129463230.db2.gz OYVGNSFAEYTSKI-JTQLQIEISA-N 0 1 287.338 3.763 20 0 CHADMN Cc1c(CN(C)[C@H]2CCc3cc(Cl)ccc32)cnn1C ZINC000796049704 1129465335 /nfs/dbraw/zinc/46/53/35/1129465335.db2.gz LIOSLZDEOSONPZ-INIZCTEOSA-N 0 1 289.810 3.501 20 0 CHADMN Fc1cc(C2CC2)ccc1CNCc1cnc2ccccn12 ZINC000644406558 1129465923 /nfs/dbraw/zinc/46/59/23/1129465923.db2.gz HRRXEVNVPZSHTQ-UHFFFAOYSA-N 0 1 295.361 3.641 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000180295623 1129467945 /nfs/dbraw/zinc/46/79/45/1129467945.db2.gz KZCSFDWSTRDEEG-LKFCYVNXSA-N 0 1 291.782 3.546 20 0 CHADMN ClC1(Cl)C[C@H]1CN1CCC=C(c2ccco2)C1 ZINC000796121476 1129468034 /nfs/dbraw/zinc/46/80/34/1129468034.db2.gz AHOHSLYDWSCMFV-NSHDSACASA-N 0 1 272.175 3.563 20 0 CHADMN Cc1nsc(N[C@H](C)c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000742407465 1129476635 /nfs/dbraw/zinc/47/66/35/1129476635.db2.gz MPAIEMJKHLDWPF-ZCFIWIBFSA-N 0 1 293.783 3.549 20 0 CHADMN Cc1nc(CN(C2CCC2)C2CCC2)nc2ccccc12 ZINC000644784898 1129478361 /nfs/dbraw/zinc/47/83/61/1129478361.db2.gz SXNMOVNRIYXWFP-UHFFFAOYSA-N 0 1 281.403 3.845 20 0 CHADMN Cc1nc(C(C)C)ccc1CN1CCC[C@H](OC(F)F)C1 ZINC000645114169 1129487739 /nfs/dbraw/zinc/48/77/39/1129487739.db2.gz GHAPYQOZBCOCPZ-AWEZNQCLSA-N 0 1 298.377 3.717 20 0 CHADMN C[C@H]1CCCC[C@H]1OCCNCc1cccc(O)c1Cl ZINC000645145930 1129488363 /nfs/dbraw/zinc/48/83/63/1129488363.db2.gz IHYDFJYDOASSGR-SWLSCSKDSA-N 0 1 297.826 3.731 20 0 CHADMN CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000645172266 1129490347 /nfs/dbraw/zinc/49/03/47/1129490347.db2.gz FQCHAMRXOVYEQK-HIFRSBDPSA-N 0 1 297.826 3.729 20 0 CHADMN FC(F)c1ccc(CNc2cc3c(cn2)CCC3)cc1 ZINC000645212544 1129491578 /nfs/dbraw/zinc/49/15/78/1129491578.db2.gz PJKNWHOLBQBZKB-UHFFFAOYSA-N 0 1 274.314 3.542 20 0 CHADMN Cc1cc(-c2ccccc2)ccc1NC(=O)CN(C)C(C)C ZINC000742796472 1129499965 /nfs/dbraw/zinc/49/99/65/1129499965.db2.gz DZVGCGZUMPKOPV-UHFFFAOYSA-N 0 1 296.414 3.941 20 0 CHADMN Cc1cccc(CCN2CC[C@H]2c2cccc(F)c2)n1 ZINC000645812011 1129508448 /nfs/dbraw/zinc/50/84/48/1129508448.db2.gz FUZRYTAHZJJWPQ-KRWDZBQOSA-N 0 1 270.351 3.519 20 0 CHADMN CC(C)(C)OC1CCN(CCc2c(F)cccc2F)CC1 ZINC000645814441 1129508552 /nfs/dbraw/zinc/50/85/52/1129508552.db2.gz SBJYZYBAEHDMKG-UHFFFAOYSA-N 0 1 297.389 3.787 20 0 CHADMN CCc1nn(C)cc1CN1CC=C(c2cccc(C)c2)CC1 ZINC000180780629 1129514207 /nfs/dbraw/zinc/51/42/07/1129514207.db2.gz PJJSVNLTUFBDJZ-UHFFFAOYSA-N 0 1 295.430 3.580 20 0 CHADMN CC(=O)Nc1cccc(CNC2(c3ccccc3C)CC2)c1 ZINC000645979884 1129515035 /nfs/dbraw/zinc/51/50/35/1129515035.db2.gz NLPSQPOOBHAWPR-UHFFFAOYSA-N 0 1 294.398 3.732 20 0 CHADMN Cc1ccc(CN(Cc2ncccn2)CC(C)C)c(C)c1 ZINC000645972546 1129515235 /nfs/dbraw/zinc/51/52/35/1129515235.db2.gz ITYGYCGPUBLMQO-UHFFFAOYSA-N 0 1 283.419 3.752 20 0 CHADMN Cc1ncc(CNC2(c3ccccc3C)CC2)s1 ZINC000645979566 1129515582 /nfs/dbraw/zinc/51/55/82/1129515582.db2.gz USTDSKRRYODSCQ-UHFFFAOYSA-N 0 1 258.390 3.539 20 0 CHADMN Fc1cccc(CN2CC[C@H](c3cccnc3)C2)c1Cl ZINC000645983261 1129515854 /nfs/dbraw/zinc/51/58/54/1129515854.db2.gz MDUJCYABYQIIAC-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN CCc1nc(C)c(CN(Cc2ccc(C)nc2)CC2CC2)o1 ZINC000646020080 1129516876 /nfs/dbraw/zinc/51/68/76/1129516876.db2.gz GJZZCHTVPLLHEV-UHFFFAOYSA-N 0 1 299.418 3.661 20 0 CHADMN Cc1ccnc(CN(Cc2ccc(C)nc2)CC2CC2)c1 ZINC000646020266 1129516967 /nfs/dbraw/zinc/51/69/67/1129516967.db2.gz RVHUMQNUOCSMTA-UHFFFAOYSA-N 0 1 281.403 3.506 20 0 CHADMN Cc1ccc(CN[C@H](CCO)c2ccccc2F)cc1C ZINC000646070053 1129520361 /nfs/dbraw/zinc/52/03/61/1129520361.db2.gz HHFSSHUBKSIHRV-GOSISDBHSA-N 0 1 287.378 3.656 20 0 CHADMN CCc1ccc(CN[C@@H](CCO)c2ccccc2F)cc1 ZINC000646067780 1129520554 /nfs/dbraw/zinc/52/05/54/1129520554.db2.gz AFMBDUVTZJGQTA-SFHVURJKSA-N 0 1 287.378 3.601 20 0 CHADMN C[C@H]1C(=O)N(CN(C2CC2)C2CCCC2)[C@H]1c1ccccc1 ZINC000743353821 1129521120 /nfs/dbraw/zinc/52/11/20/1129521120.db2.gz HXRHGINAYDQGIT-RDTXWAMCSA-N 0 1 298.430 3.571 20 0 CHADMN COc1ccccc1[C@H]1CCCCN1Cc1conc1C ZINC000646074868 1129521350 /nfs/dbraw/zinc/52/13/50/1129521350.db2.gz CZBGZONCPRBJCE-MRXNPFEDSA-N 0 1 286.375 3.719 20 0 CHADMN Cc1nc2c(s1)CN([C@@H]1C[C@@H](C)CC(C)(C)C1)C2 ZINC001258700721 1129524730 /nfs/dbraw/zinc/52/47/30/1129524730.db2.gz BCZXFBVPGIXIQQ-ZYHUDNBSSA-N 0 1 264.438 3.982 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cnc3ccccc3c2)CC2(CCCC2)O1 ZINC000646135547 1129525062 /nfs/dbraw/zinc/52/50/62/1129525062.db2.gz RQIMFEYPAZFLQL-HNNXBMFYSA-N 0 1 296.414 3.768 20 0 CHADMN C[C@H]1CN(Cc2cnc3ccccc3c2)CC2(CCCC2)O1 ZINC000646135547 1129525064 /nfs/dbraw/zinc/52/50/64/1129525064.db2.gz RQIMFEYPAZFLQL-HNNXBMFYSA-N 0 1 296.414 3.768 20 0 CHADMN CC(C)c1nnc(CN2CCCC[C@H]2C2CCC2)s1 ZINC000646140135 1129526527 /nfs/dbraw/zinc/52/65/27/1129526527.db2.gz VZWNPDINCNGQND-ZDUSSCGKSA-N 0 1 279.453 3.816 20 0 CHADMN CC(C)[C@@H]1N(Cc2c[nH]c(-c3ccccc3)n2)CC1(C)C ZINC000646221087 1129529449 /nfs/dbraw/zinc/52/94/49/1129529449.db2.gz KZIVRGOFMGBQIW-INIZCTEOSA-N 0 1 283.419 3.943 20 0 CHADMN COc1ncc(-c2cccc3nc(C(F)(F)F)[nH]c32)s1 ZINC001241417842 1129536788 /nfs/dbraw/zinc/53/67/88/1129536788.db2.gz NLHUPEGTUOTJDC-UHFFFAOYSA-N 0 1 299.277 3.714 20 0 CHADMN CC[C@]1(C)CCCN(C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000743860826 1129540666 /nfs/dbraw/zinc/54/06/66/1129540666.db2.gz WGLAUFOCDOQXCD-HZPDHXFCSA-N 0 1 283.362 3.510 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC000646624825 1129541361 /nfs/dbraw/zinc/54/13/61/1129541361.db2.gz AAQMUYIZWDQAHA-SWLSCSKDSA-N 0 1 297.402 3.838 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@H]1C[C@H](C)Cc2cn[nH]c21 ZINC000646624823 1129541689 /nfs/dbraw/zinc/54/16/89/1129541689.db2.gz AAQMUYIZWDQAHA-DOMZBBRYSA-N 0 1 297.402 3.838 20 0 CHADMN Cc1ccc(CCN(C/C=C\Cl)C[C@H]2CCCO2)cc1 ZINC000743864494 1129541949 /nfs/dbraw/zinc/54/19/49/1129541949.db2.gz ZGBMDZPTSYJVAY-TYIWRNDTSA-N 0 1 293.838 3.771 20 0 CHADMN CC(C)(C)c1ccc(-c2nc([C@H]3CCCN3)no2)s1 ZINC000647148871 1129552152 /nfs/dbraw/zinc/55/21/52/1129552152.db2.gz ZVZVGZRHNHDTJP-SECBINFHSA-N 0 1 277.393 3.520 20 0 CHADMN Cc1cc2occ(-c3nc([C@H]4CCCN4)no3)c2cc1C ZINC000647146035 1129552275 /nfs/dbraw/zinc/55/22/75/1129552275.db2.gz LOGDLLLFAKIEEM-CYBMUJFWSA-N 0 1 283.331 3.524 20 0 CHADMN C1=C(c2ccc(-c3nc([C@@H]4CCCN4)no3)cc2)CCC1 ZINC000647145552 1129552401 /nfs/dbraw/zinc/55/24/01/1129552401.db2.gz ZGEXEEMCWLBOBM-HNNXBMFYSA-N 0 1 281.359 3.728 20 0 CHADMN Clc1ccc2oc(-c3nc([C@@H]4CCCN4)no3)cc2c1 ZINC000647153433 1129552975 /nfs/dbraw/zinc/55/29/75/1129552975.db2.gz CAMACNBPUJVKNF-JTQLQIEISA-N 0 1 289.722 3.561 20 0 CHADMN Fc1ccc2sc(-c3nc([C@H]4CCCN4)no3)cc2c1 ZINC000647155330 1129553126 /nfs/dbraw/zinc/55/31/26/1129553126.db2.gz XCSKJRBYFDFPKM-SNVBAGLBSA-N 0 1 289.335 3.515 20 0 CHADMN CC(C)Cn1nccc1CNCc1ccc(F)c(Cl)c1 ZINC000647177816 1129554302 /nfs/dbraw/zinc/55/43/02/1129554302.db2.gz OAKRNVFZUIVCCS-UHFFFAOYSA-N 0 1 295.789 3.621 20 0 CHADMN COc1ncncc1CN[C@H](C)c1cc2ccccc2s1 ZINC000647181861 1129555225 /nfs/dbraw/zinc/55/52/25/1129555225.db2.gz WHEZWUZCABMGKX-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN Cc1ccccc1C1(NCc2cnc(C(C)(C)C)nc2)CC1 ZINC000647224369 1129557845 /nfs/dbraw/zinc/55/78/45/1129557845.db2.gz DRDYRDALROPTQE-UHFFFAOYSA-N 0 1 295.430 3.861 20 0 CHADMN Cc1ccc(CNC2(c3cccc(F)c3)CCC2)o1 ZINC000647233293 1129559160 /nfs/dbraw/zinc/55/91/60/1129559160.db2.gz CXLGMCDLJIUQIX-UHFFFAOYSA-N 0 1 259.324 3.896 20 0 CHADMN OCC[C@H](NCc1ccc(C2CC2)cc1)c1ccccc1F ZINC000647250217 1129560673 /nfs/dbraw/zinc/56/06/73/1129560673.db2.gz PNVRHYPZHSEDDC-IBGZPJMESA-N 0 1 299.389 3.916 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NC1(c2cccc(F)c2)CCC1 ZINC000647330743 1129569605 /nfs/dbraw/zinc/56/96/05/1129569605.db2.gz NPBINGLZNOQVEV-NSHDSACASA-N 0 1 273.355 3.587 20 0 CHADMN Cc1cccc(C2(N[C@H](C)c3ccncn3)CCC2)c1 ZINC000647333578 1129570206 /nfs/dbraw/zinc/57/02/06/1129570206.db2.gz VCMPSLRUEWYXJA-CQSZACIVSA-N 0 1 267.376 3.515 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccccc1F)c1cccs1 ZINC000647346232 1129571800 /nfs/dbraw/zinc/57/18/00/1129571800.db2.gz SSSNEEVSGNEXOS-SMDDNHRTSA-N 0 1 279.380 3.662 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000414667931 1129583866 /nfs/dbraw/zinc/58/38/66/1129583866.db2.gz WYNSNPKRKHWIEQ-YQQAZPJKSA-N 0 1 281.440 3.780 20 0 CHADMN CN(CC(=O)Nc1ccc(F)c(Cl)c1)C1CC(C)(C)C1 ZINC001170990026 1131383894 /nfs/dbraw/zinc/38/38/94/1131383894.db2.gz GTHRHSZBZIDHET-UHFFFAOYSA-N 0 1 298.789 3.538 20 0 CHADMN Cc1nc(CN2CCC[C@@H](C(C)(C)C)CC2)co1 ZINC000647964683 1129590156 /nfs/dbraw/zinc/59/01/56/1129590156.db2.gz UQKZLWDQUFAPJY-CYBMUJFWSA-N 0 1 250.386 3.631 20 0 CHADMN Cc1ccoc1CN(Cc1ccc(C)nc1)CC1CC1 ZINC000648057773 1129594313 /nfs/dbraw/zinc/59/43/13/1129594313.db2.gz OIMVGLOLVIGAJD-UHFFFAOYSA-N 0 1 270.376 3.704 20 0 CHADMN Cc1cnc(CN2CC3(CC=CC3)[C@H]2C(C)C)s1 ZINC000648072818 1129596443 /nfs/dbraw/zinc/59/64/43/1129596443.db2.gz RVAKSHJBMTXNHP-CQSZACIVSA-N 0 1 262.422 3.628 20 0 CHADMN COc1cc(C)ccc1[C@H](C)N[C@H](C)c1cccnc1 ZINC000037229022 1129597684 /nfs/dbraw/zinc/59/76/84/1129597684.db2.gz PZFAGSNICPBJSB-KGLIPLIRSA-N 0 1 270.376 3.810 20 0 CHADMN C[C@@H](CCC(C)(C)C)NC(=O)[C@H](N)c1cccc(Cl)c1 ZINC000648088177 1129598368 /nfs/dbraw/zinc/59/83/68/1129598368.db2.gz CLCALHIFENCDFU-SMDDNHRTSA-N 0 1 296.842 3.671 20 0 CHADMN CSc1ncc(-c2ccc3n[nH]c(C)c3c2)cc1C ZINC001241668389 1129601867 /nfs/dbraw/zinc/60/18/67/1129601867.db2.gz CFBAYXLGJSHXAI-UHFFFAOYSA-N 0 1 269.373 3.964 20 0 CHADMN COc1cc(F)c(-c2cccc3nc[nH]c32)c(F)c1 ZINC001241693408 1129602944 /nfs/dbraw/zinc/60/29/44/1129602944.db2.gz VJWHAGZUFTZFEH-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN CCN(CCC(F)(F)F)Cc1cc2cccnc2o1 ZINC000648365364 1129604069 /nfs/dbraw/zinc/60/40/69/1129604069.db2.gz GBAHLEWZJOOIKV-UHFFFAOYSA-N 0 1 272.270 3.602 20 0 CHADMN CCOc1ccccc1-c1ccc(N2CCN(C)CC2)cc1 ZINC001239558610 1131385440 /nfs/dbraw/zinc/38/54/40/1131385440.db2.gz BXDPQKFECNDBQV-UHFFFAOYSA-N 0 1 296.414 3.504 20 0 CHADMN O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@H+]1C/C(Cl)=C/Cl ZINC000253091938 1129609758 /nfs/dbraw/zinc/60/97/58/1129609758.db2.gz KFRQWJLCGVUIRA-KNUKWFNTSA-N 0 1 292.250 3.711 20 0 CHADMN O[C@@H]1CCCC[C@@H]1[C@H]1CCCCN1C/C(Cl)=C/Cl ZINC000253091938 1129609760 /nfs/dbraw/zinc/60/97/60/1129609760.db2.gz KFRQWJLCGVUIRA-KNUKWFNTSA-N 0 1 292.250 3.711 20 0 CHADMN Cc1cnccc1CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000648554252 1129613430 /nfs/dbraw/zinc/61/34/30/1129613430.db2.gz ZLULZEPMOISSRJ-CYBMUJFWSA-N 0 1 286.341 3.800 20 0 CHADMN CCC[C@H](OC)c1noc([C@@H]2CC[C@@H]3CCCC[C@H]3N2)n1 ZINC000253170529 1129616875 /nfs/dbraw/zinc/61/68/75/1129616875.db2.gz GUWMDGVKVAZJMT-CRWXNKLISA-N 0 1 293.411 3.541 20 0 CHADMN CC(=O)c1c(F)cccc1NCc1nc2ccc(C)cc2[nH]1 ZINC000745975233 1129621454 /nfs/dbraw/zinc/62/14/54/1129621454.db2.gz GFALFZYQBQZTGM-UHFFFAOYSA-N 0 1 297.333 3.825 20 0 CHADMN Cc1csc(CNCc2ncccc2C(F)(F)F)c1 ZINC000648729023 1129624053 /nfs/dbraw/zinc/62/40/53/1129624053.db2.gz VIKKCZCCBRYBBX-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN Cc1[nH]nc(CNc2cc(C)cc(Br)c2)c1C ZINC000886069066 1129628897 /nfs/dbraw/zinc/62/88/97/1129628897.db2.gz BRQRJZHZPUKPDI-UHFFFAOYSA-N 0 1 294.196 3.710 20 0 CHADMN C[C@H](NC[C@@](C)(O)c1cccs1)c1c(F)cccc1F ZINC000305155692 1129630718 /nfs/dbraw/zinc/63/07/18/1129630718.db2.gz VQINHCHFDOLSOD-ZUZCIYMTSA-N 0 1 297.370 3.585 20 0 CHADMN FC1(F)CC2(CN(CCc3ccc(Cl)cc3)C2)C1 ZINC000649401611 1129643824 /nfs/dbraw/zinc/64/38/24/1129643824.db2.gz LLLXANAHMWJHKF-UHFFFAOYSA-N 0 1 271.738 3.614 20 0 CHADMN Cc1ccccc1[C@@H](CC(C)C)NC(=O)CCc1cnc[nH]1 ZINC000193242493 1129645103 /nfs/dbraw/zinc/64/51/03/1129645103.db2.gz MUOSTMHDBAWLFM-QGZVFWFLSA-N 0 1 299.418 3.554 20 0 CHADMN C[C@H](CO)c1ccc(-c2ccc(CN(C)C)c(F)c2)cc1 ZINC000649437870 1129648735 /nfs/dbraw/zinc/64/87/35/1129648735.db2.gz IJUXAUBJZVWJGY-CYBMUJFWSA-N 0 1 287.378 3.650 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2cc3n(n2)CCCC3)c1 ZINC000649493366 1129654281 /nfs/dbraw/zinc/65/42/81/1129654281.db2.gz JSOGTPVVOSWZFA-LJQANCHMSA-N 0 1 295.430 3.865 20 0 CHADMN Cc1nc([C@H](C)N[C@H]2CC23CCCC3)c(C)s1 ZINC000387052651 1129654468 /nfs/dbraw/zinc/65/44/68/1129654468.db2.gz UCRGQRXIXLMURF-CABZTGNLSA-N 0 1 250.411 3.743 20 0 CHADMN Cc1cccc2c1CCN2C(=O)c1c(O)cccc1Cl ZINC000746402145 1129656752 /nfs/dbraw/zinc/65/67/52/1129656752.db2.gz JDKPTIPRXZNAHA-UHFFFAOYSA-N 0 1 287.746 3.557 20 0 CHADMN CC(C)C[C@@H](NCc1cc2n(n1)CCC2)c1ccccc1 ZINC000649573635 1129659083 /nfs/dbraw/zinc/65/90/83/1129659083.db2.gz KQPNNMYMEWITRL-GOSISDBHSA-N 0 1 283.419 3.706 20 0 CHADMN CC[C@@H](NCc1cnc(C(F)(F)F)nc1)c1ccccc1 ZINC000649573554 1129659305 /nfs/dbraw/zinc/65/93/05/1129659305.db2.gz HPHUDFCSBOVXBE-CYBMUJFWSA-N 0 1 295.308 3.736 20 0 CHADMN CC[C@H](NCc1cc(C)ccn1)c1ccc(OC)cc1 ZINC000392790458 1129660009 /nfs/dbraw/zinc/66/00/09/1129660009.db2.gz YAWYQPRXXFTQQX-KRWDZBQOSA-N 0 1 270.376 3.640 20 0 CHADMN C[C@@H](NCc1cc2n(n1)CCC2)c1cc2ccccc2s1 ZINC000649584072 1129660531 /nfs/dbraw/zinc/66/05/31/1129660531.db2.gz JLVKTXLMDQPIPV-GFCCVEGCSA-N 0 1 297.427 3.895 20 0 CHADMN Cc1ccccc1C[C@H](C)N(C)Cc1cc2n(n1)CCCC2 ZINC000649594210 1129661322 /nfs/dbraw/zinc/66/13/22/1129661322.db2.gz SHGNSQRYMRTHSK-INIZCTEOSA-N 0 1 297.446 3.591 20 0 CHADMN CCOc1ccc(CNC2(c3ccccc3C)CCC2)nc1 ZINC000649645097 1129665807 /nfs/dbraw/zinc/66/58/07/1129665807.db2.gz DNUPSGCKLXWADO-UHFFFAOYSA-N 0 1 296.414 3.958 20 0 CHADMN Fc1ccccc1-c1cnc(CN2CCC23CCCC3)o1 ZINC000649656374 1129666271 /nfs/dbraw/zinc/66/62/71/1129666271.db2.gz KHYPTKYOHNXNPD-UHFFFAOYSA-N 0 1 286.350 3.999 20 0 CHADMN CCC(CC)n1ccc(CN2CCC23CCCC3)n1 ZINC000649657468 1129666315 /nfs/dbraw/zinc/66/63/15/1129666315.db2.gz AGGYQPFJZXNZSO-UHFFFAOYSA-N 0 1 261.413 3.763 20 0 CHADMN Cc1cnc(CN2CCC3(CCc4ccccc4C3)CC2)o1 ZINC000649648510 1129666850 /nfs/dbraw/zinc/66/68/50/1129666850.db2.gz YWZYIBXJHKDQJS-UHFFFAOYSA-N 0 1 296.414 3.754 20 0 CHADMN Cc1noc(C)c1CN(C)[C@@H](C)CSc1ccccc1 ZINC000649664534 1129667306 /nfs/dbraw/zinc/66/73/06/1129667306.db2.gz KBLWNDUFQMNIEC-LBPRGKRZSA-N 0 1 290.432 3.904 20 0 CHADMN FC1(F)C(F)(F)C12CCN(Cc1cccs1)CC2 ZINC000649709874 1129673053 /nfs/dbraw/zinc/67/30/53/1129673053.db2.gz DGEOZXLENCEFCB-UHFFFAOYSA-N 0 1 279.302 3.615 20 0 CHADMN Cc1c2nc[nH]c2ccc1NCc1cc(C(C)C)no1 ZINC001168829302 1129675477 /nfs/dbraw/zinc/67/54/77/1129675477.db2.gz QDLPLNNFIWIYAR-UHFFFAOYSA-N 0 1 270.336 3.595 20 0 CHADMN FC(F)(F)COc1ccnc(NCCC2CCC2)c1 ZINC001168890296 1129680736 /nfs/dbraw/zinc/68/07/36/1129680736.db2.gz BJNWATULJZQLPA-UHFFFAOYSA-N 0 1 274.286 3.625 20 0 CHADMN C[C@@H](c1cc(Cl)ccc1Cl)N1CCN(C)[C@@H](C)C1 ZINC001168910931 1129683326 /nfs/dbraw/zinc/68/33/26/1129683326.db2.gz LEKLQRRGFGCUEC-QWRGUYRKSA-N 0 1 287.234 3.690 20 0 CHADMN Cc1cnc([C@H](C)N2CCc3ccc(F)cc3[C@@H](C)C2)o1 ZINC000649894790 1129683987 /nfs/dbraw/zinc/68/39/87/1129683987.db2.gz USDBIGWJBBFMFX-AAEUAGOBSA-N 0 1 288.366 3.845 20 0 CHADMN Cc1ccc(CN(C)CCSc2ccccc2)nc1 ZINC000649900687 1129684152 /nfs/dbraw/zinc/68/41/52/1129684152.db2.gz RNIKASOCLQBLPX-UHFFFAOYSA-N 0 1 272.417 3.614 20 0 CHADMN COc1cc(Cl)ccc1CN1CC[C@@]2(CC2(F)F)C1 ZINC000649908519 1129686263 /nfs/dbraw/zinc/68/62/63/1129686263.db2.gz QAGQYSOPZCSZPS-CYBMUJFWSA-N 0 1 287.737 3.580 20 0 CHADMN CCCN(CCCC(C)(C)C)CC(=O)OC(C)(C)C ZINC001169091313 1129700423 /nfs/dbraw/zinc/70/04/23/1129700423.db2.gz MYLRRWNUUYDTPW-UHFFFAOYSA-N 0 1 271.445 3.866 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3ccc(Cl)c(F)c3)C[C@@H]21 ZINC001137653386 1131392148 /nfs/dbraw/zinc/39/21/48/1131392148.db2.gz MSNXVPUSKNPRFL-PHIMTYICSA-N 0 1 253.748 3.567 20 0 CHADMN COc1cc2[nH]cnc2cc1C1=CCC(F)(F)CC1 ZINC001242234241 1129710254 /nfs/dbraw/zinc/71/02/54/1129710254.db2.gz NTEPKHTUKKDCBJ-UHFFFAOYSA-N 0 1 264.275 3.774 20 0 CHADMN Fc1cccc(F)c1CN(C[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC001169227185 1129710602 /nfs/dbraw/zinc/71/06/02/1129710602.db2.gz YBAOOWHWDNUACG-CLLJXQQHSA-N 0 1 277.358 3.975 20 0 CHADMN Cc1ccc(CCCNc2ncc(C)c3cc[nH]c32)cn1 ZINC001169254594 1129713121 /nfs/dbraw/zinc/71/31/21/1129713121.db2.gz MLYLBKYGFUDXLA-UHFFFAOYSA-N 0 1 280.375 3.619 20 0 CHADMN CCc1ccc([C@H]2CN(CCCC3CC3)CCO2)cc1 ZINC001169283523 1129714613 /nfs/dbraw/zinc/71/46/13/1129714613.db2.gz KCBHGEFHOIHSAM-GOSISDBHSA-N 0 1 273.420 3.813 20 0 CHADMN CC1(NCc2ccc(Cl)cc2F)CC(F)(F)C1 ZINC000720922323 1129719883 /nfs/dbraw/zinc/71/98/83/1129719883.db2.gz FXGLNTMTBVWSOX-UHFFFAOYSA-N 0 1 263.690 3.757 20 0 CHADMN C[C@@H]1C[C@H](Nc2cccn3cncc23)c2ccccc21 ZINC001169378695 1129722364 /nfs/dbraw/zinc/72/23/64/1129722364.db2.gz MDNWAOSOTIGKNP-WBMJQRKESA-N 0 1 263.344 3.995 20 0 CHADMN CCC(N)=NOCc1nc(C2CCCCC2)cs1 ZINC000766694411 1129725473 /nfs/dbraw/zinc/72/54/73/1129725473.db2.gz ZAIOGNKIKAGZFC-UHFFFAOYSA-N 0 1 267.398 3.599 20 0 CHADMN CCC1(CC)CCN(Cc2cn(-c3ccccc3)nn2)CC1 ZINC001169419134 1129725756 /nfs/dbraw/zinc/72/57/56/1129725756.db2.gz FSGPQSLYXVQVGN-UHFFFAOYSA-N 0 1 298.434 3.670 20 0 CHADMN C[C@H](CNc1cc2nc[nH]c2cc1F)c1ccc(O)cc1 ZINC001169543240 1129732829 /nfs/dbraw/zinc/73/28/29/1129732829.db2.gz SWBLVCAAPMVADR-SNVBAGLBSA-N 0 1 285.322 3.623 20 0 CHADMN CC[C@@H](N[C@@H]1CCOc2cc(OC)ccc21)c1ccncc1 ZINC000651237081 1129734104 /nfs/dbraw/zinc/73/41/04/1129734104.db2.gz MSVPINUSSSPCIG-IAGOWNOFSA-N 0 1 298.386 3.655 20 0 CHADMN C[C@@H](Nc1ccc2c(c1)nc1cc[nH]cc2-1)c1cnccn1 ZINC001169538641 1129734200 /nfs/dbraw/zinc/73/42/00/1129734200.db2.gz QQLDYOFFNMGQIG-LLVKDONJSA-N 0 1 289.342 3.679 20 0 CHADMN CCc1cccc(CNCc2cccnc2OC(C)C)c1 ZINC000651663158 1129743339 /nfs/dbraw/zinc/74/33/39/1129743339.db2.gz ASHXUYUFNTUKDC-UHFFFAOYSA-N 0 1 284.403 3.721 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cccc3c1CCC3)CCO2 ZINC000651699959 1129744078 /nfs/dbraw/zinc/74/40/78/1129744078.db2.gz NMLCFIHVZIVYHO-GOSISDBHSA-N 0 1 297.373 3.928 20 0 CHADMN COC[C@H](CC(C)(C)C)NCc1nc(C(C)C)cs1 ZINC000651737537 1129745867 /nfs/dbraw/zinc/74/58/67/1129745867.db2.gz IDZYGWCZYATCBC-LBPRGKRZSA-N 0 1 284.469 3.807 20 0 CHADMN Cn1ccc(CN[C@H]2CCc3ccc(F)c(Cl)c32)c1 ZINC000651730041 1129746444 /nfs/dbraw/zinc/74/64/44/1129746444.db2.gz YWTIHYMWEPEGGQ-ZDUSSCGKSA-N 0 1 278.758 3.595 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2cccc3c2CCC3)n[nH]1 ZINC000651785514 1129747786 /nfs/dbraw/zinc/74/77/86/1129747786.db2.gz GFBXKHVUTTVPAY-STQMWFEESA-N 0 1 298.434 3.658 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2cccc3c2CCC3)n[nH]1 ZINC000651785513 1129748086 /nfs/dbraw/zinc/74/80/86/1129748086.db2.gz GFBXKHVUTTVPAY-QWHCGFSZSA-N 0 1 298.434 3.658 20 0 CHADMN c1ccc(CN(Cc2cccc3c2CCC3)C2CC2)nc1 ZINC000651810453 1129748769 /nfs/dbraw/zinc/74/87/69/1129748769.db2.gz WALUNQLQPMENHD-UHFFFAOYSA-N 0 1 278.399 3.735 20 0 CHADMN CC(C)CCOCCN1CC[C@](F)(c2ccccc2)C1 ZINC001169745614 1129751940 /nfs/dbraw/zinc/75/19/40/1129751940.db2.gz RTYNXVOXMQWFFY-QGZVFWFLSA-N 0 1 279.399 3.620 20 0 CHADMN COC(C)(C)[C@@H]1CCCN1Cc1cc(Cl)ccc1F ZINC001206020346 1129754586 /nfs/dbraw/zinc/75/45/86/1129754586.db2.gz QEOSIEXKOKKYLD-AWEZNQCLSA-N 0 1 285.790 3.869 20 0 CHADMN Cc1cc(CN2C[C@@H](C)OCC23CCC3)cc2cccnc12 ZINC000651974459 1129754773 /nfs/dbraw/zinc/75/47/73/1129754773.db2.gz FMOOTOKXNQECOK-OAHLLOKOSA-N 0 1 296.414 3.687 20 0 CHADMN CCc1cccc(CNCc2c(OC)cccc2OC)c1 ZINC000652033076 1129755170 /nfs/dbraw/zinc/75/51/70/1129755170.db2.gz ZRQBEHPWHCQJSR-UHFFFAOYSA-N 0 1 285.387 3.556 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1c(C)nn(C)c1Cl)C1CC1 ZINC000104967257 1129758014 /nfs/dbraw/zinc/75/80/14/1129758014.db2.gz CXNWJHCWJVXMJC-ZYHUDNBSSA-N 0 1 283.847 3.781 20 0 CHADMN Cc1ccc(F)c(CN(C)CCSc2ccncc2)c1 ZINC001169822137 1129759509 /nfs/dbraw/zinc/75/95/09/1129759509.db2.gz RZNVNYWOKCHJQG-UHFFFAOYSA-N 0 1 290.407 3.753 20 0 CHADMN Cc1ccccc1C1(N[C@H](C)c2nccnc2C)CCC1 ZINC000652216793 1129759880 /nfs/dbraw/zinc/75/98/80/1129759880.db2.gz GNWXENPAKCANCE-OAHLLOKOSA-N 0 1 281.403 3.823 20 0 CHADMN CCn1ccnc1[C@@H](C)NC1(c2ccccc2C)CCC1 ZINC000652216795 1129759908 /nfs/dbraw/zinc/75/99/08/1129759908.db2.gz GQULHOBLAWDUBU-OAHLLOKOSA-N 0 1 283.419 3.941 20 0 CHADMN Cc1cccc2c1CC[C@@H]2N[C@H](c1ccccc1F)[C@@H](C)O ZINC000652230506 1129761170 /nfs/dbraw/zinc/76/11/70/1129761170.db2.gz NEXMHYQVFHDCRF-VMDGZTHMSA-N 0 1 299.389 3.833 20 0 CHADMN CC(C)Cc1ccc(CN2C[C@H](C)O[C@@H](C3CC3)C2)cc1 ZINC001169890637 1129761900 /nfs/dbraw/zinc/76/19/00/1129761900.db2.gz PVGCXAWIOQGDFR-HNAYVOBHSA-N 0 1 287.447 3.884 20 0 CHADMN CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CCCCCC(=O)[O-])C1 ZINC000652451521 1129765506 /nfs/dbraw/zinc/76/55/06/1129765506.db2.gz ZTAIODNJNSBBBE-LSDHHAIUSA-N 0 1 281.440 3.780 20 0 CHADMN CCc1ccc(CC[N@@H+](CC(=O)[O-])C2CCCCC2)cc1 ZINC000652481854 1129765625 /nfs/dbraw/zinc/76/56/25/1129765625.db2.gz DAOPSMJGLCUVAZ-UHFFFAOYSA-N 0 1 289.419 3.511 20 0 CHADMN CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000652450937 1129765782 /nfs/dbraw/zinc/76/57/82/1129765782.db2.gz LXFLTZMAXSPJQQ-OCCSQVGLSA-N 0 1 291.391 3.626 20 0 CHADMN CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000652450928 1129765793 /nfs/dbraw/zinc/76/57/93/1129765793.db2.gz LQUFXWIMTKIARW-OCCSQVGLSA-N 0 1 291.391 3.626 20 0 CHADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(C2CCCC2)cc1 ZINC000652504173 1129766108 /nfs/dbraw/zinc/76/61/08/1129766108.db2.gz ZLQYBNCTFHLGLS-SUMWQHHRSA-N 0 1 287.403 3.639 20 0 CHADMN Cc1cccc(CN2CCN(C)C[C@H]2c2ccccc2)c1F ZINC001137672474 1131396641 /nfs/dbraw/zinc/39/66/41/1131396641.db2.gz ITRDAZYVQYHYEC-SFHVURJKSA-N 0 1 298.405 3.623 20 0 CHADMN C[C@@H](C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1)N(C)C ZINC000652868257 1129770946 /nfs/dbraw/zinc/77/09/46/1129770946.db2.gz YHAUFCRYMQKCFU-LURJTMIESA-N 0 1 295.597 3.535 20 0 CHADMN Clc1nc(CN(CC2CC2)CC2CCC2)cs1 ZINC000829384983 1131418917 /nfs/dbraw/zinc/41/89/17/1131418917.db2.gz NYUJBOIDISFWSS-UHFFFAOYSA-N 0 1 270.829 3.809 20 0 CHADMN COc1cccc2c1OCC[C@H]2NCc1cc(C)oc1C ZINC000767371057 1129789469 /nfs/dbraw/zinc/78/94/69/1129789469.db2.gz JIUINIKWZDHMPQ-OAHLLOKOSA-N 0 1 287.359 3.518 20 0 CHADMN C[C@H]1CN(CCCc2c(F)cccc2F)CCC1(F)F ZINC000653679272 1129791789 /nfs/dbraw/zinc/79/17/89/1129791789.db2.gz VUIBODQOTOQHBU-NSHDSACASA-N 0 1 289.316 3.875 20 0 CHADMN [O-]c1c(Cl)cccc1-c1ccc(C[NH+]2CCC2)cc1 ZINC001242366134 1129797479 /nfs/dbraw/zinc/79/74/79/1129797479.db2.gz PDEDWTOCMOUPKK-UHFFFAOYSA-N 0 1 273.763 3.918 20 0 CHADMN C[C@@H](N[C@@H](C)C1CCC(F)(F)CC1)c1nc(C2CC2)no1 ZINC000653868415 1129798545 /nfs/dbraw/zinc/79/85/45/1129798545.db2.gz AQSSIZFANBXRAJ-VHSXEESVSA-N 0 1 299.365 3.812 20 0 CHADMN CCCc1nc(CN[C@@H](CC)[C@H]2CCCCO2)cs1 ZINC000653880915 1129800037 /nfs/dbraw/zinc/80/00/37/1129800037.db2.gz RQVHIFYWMJOPFY-UONOGXRCSA-N 0 1 282.453 3.533 20 0 CHADMN Cc1ccc(CN2CCOC3(CCCCC3)C2)cc1C ZINC001169971523 1129804381 /nfs/dbraw/zinc/80/43/81/1129804381.db2.gz SNEKYTGOHHWSFE-UHFFFAOYSA-N 0 1 273.420 3.839 20 0 CHADMN C[C@H]1Cc2ccccc2N1C1CCN(C/C=C/Cl)CC1 ZINC000767889969 1129817644 /nfs/dbraw/zinc/81/76/44/1129817644.db2.gz NYGJLFWQXKUSRS-MDDUGHTDSA-N 0 1 290.838 3.655 20 0 CHADMN Cc1cccc([C@H](O)CN(CCF)Cc2ccccc2)c1 ZINC000767905409 1129821062 /nfs/dbraw/zinc/82/10/62/1129821062.db2.gz MPQLKJBPOXSYHX-GOSISDBHSA-N 0 1 287.378 3.500 20 0 CHADMN C[C@H]1CN(Cc2cc3ccccc3s2)CCCC1=O ZINC001137681103 1131400196 /nfs/dbraw/zinc/40/01/96/1131400196.db2.gz HFSIOUIDWWQXBN-LBPRGKRZSA-N 0 1 273.401 3.702 20 0 CHADMN Clc1ccc2ncc(CN3CCCCCCC3)n2c1 ZINC000768142938 1129833132 /nfs/dbraw/zinc/83/31/32/1129833132.db2.gz IZVXGIKLNCTOFA-UHFFFAOYSA-N 0 1 277.799 3.754 20 0 CHADMN Clc1nc2ccccn2c1CN1CCCCCCC1 ZINC000768144528 1129833364 /nfs/dbraw/zinc/83/33/64/1129833364.db2.gz SSNUBFDFGXNGQY-UHFFFAOYSA-N 0 1 277.799 3.754 20 0 CHADMN CC[C@@H](NC[C@@]1(C)CC1(Cl)Cl)c1nccs1 ZINC000828802588 1131400591 /nfs/dbraw/zinc/40/05/91/1131400591.db2.gz DOYFFTANDMDUQS-PSASIEDQSA-N 0 1 279.236 3.768 20 0 CHADMN Cc1cc(CN2CCC[C@@H](C(F)(F)F)C2)c(C)o1 ZINC000768169819 1129837637 /nfs/dbraw/zinc/83/76/37/1129837637.db2.gz YGGLWNYZMJGBNH-GFCCVEGCSA-N 0 1 261.287 3.671 20 0 CHADMN CC[C@H](NCc1cc(C)ccn1)c1ccccc1OC ZINC000381387404 1129838406 /nfs/dbraw/zinc/83/84/06/1129838406.db2.gz LYNKAEXSLOQZKY-INIZCTEOSA-N 0 1 270.376 3.640 20 0 CHADMN CCCCCC[C@H](C)NCc1n[nH]cc1Br ZINC000381397962 1129838659 /nfs/dbraw/zinc/83/86/59/1129838659.db2.gz QCTNYHWFLCGRKY-JTQLQIEISA-N 0 1 288.233 3.621 20 0 CHADMN CCc1ncc(CN2Cc3ccccc3[C@H](C)C2)s1 ZINC000768195006 1129841895 /nfs/dbraw/zinc/84/18/95/1129841895.db2.gz IQLCAIUCQOPFGN-GFCCVEGCSA-N 0 1 272.417 3.825 20 0 CHADMN CCc1nn(C)c(Cl)c1CN(C)C1CCCCCC1 ZINC000768214794 1129843549 /nfs/dbraw/zinc/84/35/49/1129843549.db2.gz QBODAXQRRFTXRJ-UHFFFAOYSA-N 0 1 283.847 3.791 20 0 CHADMN CC(C)(C)Cc1ccccc1-c1nc([C@H]2CCCN2)no1 ZINC000900010676 1129857144 /nfs/dbraw/zinc/85/71/44/1129857144.db2.gz WHGHMWKPQYCKIS-CQSZACIVSA-N 0 1 285.391 3.750 20 0 CHADMN Cc1ccc(F)c(CN2CCC(O)(c3ccccc3)CC2)c1 ZINC000768526893 1129860048 /nfs/dbraw/zinc/86/00/48/1129860048.db2.gz SDRBOLJPXDYGPO-UHFFFAOYSA-N 0 1 299.389 3.618 20 0 CHADMN Cl/C=C/CN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000768543941 1129863513 /nfs/dbraw/zinc/86/35/13/1129863513.db2.gz XNHCBLAVNSDBTN-GXWOQWCDSA-N 0 1 296.867 3.954 20 0 CHADMN Cc1cc([C@H](C)NC[C@@H](O)c2c(F)cccc2F)oc1C ZINC000800482129 1129877492 /nfs/dbraw/zinc/87/74/92/1129877492.db2.gz OSNIYNVJDOEJFY-IINYFYTJSA-N 0 1 295.329 3.559 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2ccc(Cl)nc2)C1 ZINC000743860922 1129877753 /nfs/dbraw/zinc/87/77/53/1129877753.db2.gz ZRVGIAMKRXYZEI-AWEZNQCLSA-N 0 1 252.789 3.747 20 0 CHADMN CN(C)Cc1ccc(N[C@@H]2CCC[C@@H]3C[C@@]32C)cc1F ZINC000800488490 1129878782 /nfs/dbraw/zinc/87/87/82/1129878782.db2.gz LNJPCCVWIXPIDX-XYPHTWIQSA-N 0 1 276.399 3.878 20 0 CHADMN Cc1nc(C)c(C(=O)N(C)c2ccc(C(C)(C)C)cc2)[nH]1 ZINC000900320858 1129879045 /nfs/dbraw/zinc/87/90/45/1129879045.db2.gz LNWYMXLDIWQQID-UHFFFAOYSA-N 0 1 285.391 3.601 20 0 CHADMN Cc1ccccc1[C@]1(F)CCN(C[C@@H]2CCC=CO2)C1 ZINC000800536959 1129882317 /nfs/dbraw/zinc/88/23/17/1129882317.db2.gz VOANNJGIUNLHPK-RDJZCZTQSA-N 0 1 275.367 3.558 20 0 CHADMN CN(C(=O)c1cc(C(F)F)[nH]n1)C1CCCCCCC1 ZINC000900460011 1129884409 /nfs/dbraw/zinc/88/44/09/1129884409.db2.gz GFOPBKMJCCMDHS-UHFFFAOYSA-N 0 1 285.338 3.532 20 0 CHADMN c1oc(C2CC2)nc1CN1CCC[C@@H](C2CCCC2)C1 ZINC001460951727 1129892669 /nfs/dbraw/zinc/89/26/69/1129892669.db2.gz SICBZPNQCCUNOM-OAHLLOKOSA-N 0 1 274.408 3.954 20 0 CHADMN COc1ccsc1CN1CCc2c(C)cccc2C1 ZINC000769340745 1129903579 /nfs/dbraw/zinc/90/35/79/1129903579.db2.gz XKIPOLCMCJIRIQ-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN C[C@@H]1CCCCCN1Cc1c(Cl)nc2ccccn21 ZINC000769404586 1129906695 /nfs/dbraw/zinc/90/66/95/1129906695.db2.gz LNYGCUOMWKVLKZ-GFCCVEGCSA-N 0 1 277.799 3.752 20 0 CHADMN c1oc(C2CC2)nc1CN1CCC[C@]2(CC=CCC2)C1 ZINC000769426323 1129908167 /nfs/dbraw/zinc/90/81/67/1129908167.db2.gz FIVNZLPCXGGSQG-QGZVFWFLSA-N 0 1 272.392 3.874 20 0 CHADMN CN(Cc1coc(C2CC2)n1)[C@H]1CCc2ccccc2C1 ZINC000769427599 1129908275 /nfs/dbraw/zinc/90/82/75/1129908275.db2.gz NAPURKGHZOMAFY-KRWDZBQOSA-N 0 1 282.387 3.541 20 0 CHADMN FC(F)(F)C1=CCN(Cc2cncc3ccccc32)CC1 ZINC000769483185 1129909619 /nfs/dbraw/zinc/90/96/19/1129909619.db2.gz GWVKPVGORHXRPZ-UHFFFAOYSA-N 0 1 292.304 3.929 20 0 CHADMN Cc1ccc(C[C@@H](C)N(C)Cc2coc(C3CC3)n2)cc1 ZINC000769462676 1129911800 /nfs/dbraw/zinc/91/18/00/1129911800.db2.gz JZWCSUITLYITEX-CQSZACIVSA-N 0 1 284.403 3.923 20 0 CHADMN Cc1cc(F)ccc1NC(=O)c1c(O)cccc1Cl ZINC000769614163 1129919653 /nfs/dbraw/zinc/91/96/53/1129919653.db2.gz IIMZHWCSSOJJAJ-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN CCC[C@@H](N)c1cc(-c2ccccc2OC(F)F)no1 ZINC000901396396 1129920406 /nfs/dbraw/zinc/92/04/06/1129920406.db2.gz QXGRKWNFIIBUMF-SNVBAGLBSA-N 0 1 282.290 3.743 20 0 CHADMN CC(C)Oc1ccccc1-c1cc([C@H](N)C(C)C)on1 ZINC000901398186 1129921113 /nfs/dbraw/zinc/92/11/13/1129921113.db2.gz LOQANHYOOICDIY-MRXNPFEDSA-N 0 1 274.364 3.785 20 0 CHADMN CCC[C@@H](N)c1cc(-c2nc3cc(Cl)ccc3o2)no1 ZINC000901399893 1129921149 /nfs/dbraw/zinc/92/11/49/1129921149.db2.gz YXZUPQKVNPRMED-SECBINFHSA-N 0 1 291.738 3.936 20 0 CHADMN CCc1oc(C[N@@H+]2CCCCC[C@@H]2CC)cc1C(=O)[O-] ZINC000901432668 1129924775 /nfs/dbraw/zinc/92/47/75/1129924775.db2.gz AOOLEZMMPYQPDP-LBPRGKRZSA-N 0 1 279.380 3.695 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000901451756 1129926011 /nfs/dbraw/zinc/92/60/11/1129926011.db2.gz KXHOCSIVRQGDIE-XPSMFNQNSA-N 0 1 277.364 3.532 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@@H]2N1CCO[C@@H](C(F)F)C1 ZINC000801564231 1129927837 /nfs/dbraw/zinc/92/78/37/1129927837.db2.gz LVVJRZJCYRJWHT-LSDHHAIUSA-N 0 1 295.373 3.647 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1C[C@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000901520570 1129933024 /nfs/dbraw/zinc/93/30/24/1129933024.db2.gz WVFQFSQVUPPUDI-KYJSFNMBSA-N 0 1 293.451 3.780 20 0 CHADMN CC(C)(C)c1n[nH]c(SC[C@@]2(C)CC2(Cl)Cl)n1 ZINC000828970522 1131408894 /nfs/dbraw/zinc/40/88/94/1131408894.db2.gz ZOQSAVZSJJPWAS-SNVBAGLBSA-N 0 1 294.251 3.778 20 0 CHADMN CC(C)(C)c1nc(SC[C@@]2(C)CC2(Cl)Cl)n[nH]1 ZINC000828970522 1131408897 /nfs/dbraw/zinc/40/88/97/1131408897.db2.gz ZOQSAVZSJJPWAS-SNVBAGLBSA-N 0 1 294.251 3.778 20 0 CHADMN CC[C@H](C[N@@H+](CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000901570496 1129937553 /nfs/dbraw/zinc/93/75/53/1129937553.db2.gz YKWZCYNMYWOLQZ-QGZVFWFLSA-N 0 1 297.398 3.767 20 0 CHADMN CC1=C[C@@H](C)C[C@@H](C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000901592492 1129938838 /nfs/dbraw/zinc/93/88/38/1129938838.db2.gz PNFFKASYGWMDQO-CZUORRHYSA-N 0 1 287.403 3.809 20 0 CHADMN CC1=C[C@H](C)C[C@@H](C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC000901629120 1129939390 /nfs/dbraw/zinc/93/93/90/1129939390.db2.gz WGGWFNTYAZERAV-JOQOYGCGSA-N 0 1 299.414 3.663 20 0 CHADMN O=C([O-])c1ccc2c(c1)CC[N@H+](CC1CCCCCC1)C2 ZINC000901668963 1129942498 /nfs/dbraw/zinc/94/24/98/1129942498.db2.gz JTLFLSSSBYEEGW-UHFFFAOYSA-N 0 1 287.403 3.713 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C=C3CCC(C)CC3)ccc12 ZINC000770266463 1129942841 /nfs/dbraw/zinc/94/28/41/1129942841.db2.gz WQIMQTDHZFBEII-UHFFFAOYSA-N 0 1 283.375 3.946 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C=Cc3cccc(F)c3)ccc12 ZINC000770265702 1129943212 /nfs/dbraw/zinc/94/32/12/1129943212.db2.gz QROJPZXSYGTRPH-YVMONPNESA-N 0 1 295.317 3.662 20 0 CHADMN CC(C)c1ccc(CC[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000901699917 1129945710 /nfs/dbraw/zinc/94/57/10/1129945710.db2.gz CZBQGEXEOZLMTR-GOSISDBHSA-N 0 1 289.419 3.539 20 0 CHADMN C[C@H]1CCN[C@H](c2nc(-c3cccc(Cl)c3F)no2)C1 ZINC000823000450 1131409865 /nfs/dbraw/zinc/40/98/65/1131409865.db2.gz ATWZOIROIOZIEI-KWQFWETISA-N 0 1 295.745 3.590 20 0 CHADMN CC(C)[C@@H](C)OC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000770891574 1129961141 /nfs/dbraw/zinc/96/11/41/1129961141.db2.gz GMWHXAVLTCGAAU-LLVKDONJSA-N 0 1 299.374 3.550 20 0 CHADMN Fc1ccc(CN(Cc2ccccn2)C2CCCCC2)cn1 ZINC001137741475 1131410628 /nfs/dbraw/zinc/41/06/28/1131410628.db2.gz BZWFRSHWTZJQQK-UHFFFAOYSA-N 0 1 299.393 3.951 20 0 CHADMN CC[C@H]1CCCC[C@@H]1C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000901913278 1129965549 /nfs/dbraw/zinc/96/55/49/1129965549.db2.gz GSNNWBIEKBPLCY-DFGXFYAUSA-N 0 1 293.451 3.780 20 0 CHADMN Cc1cc(C)c(/C=C\C[N@H+]2CCCC[C@@H]2C(=O)[O-])c(C)c1 ZINC000901967418 1129968323 /nfs/dbraw/zinc/96/83/23/1129968323.db2.gz JSCJDQSBUMXJBA-JTGQJZMRSA-N 0 1 287.403 3.564 20 0 CHADMN O=C([O-])CC[N@@H+](Cc1cccc(C2CCCC2)c1)C1CC1 ZINC000901973169 1129969015 /nfs/dbraw/zinc/96/90/15/1129969015.db2.gz ZCDUNMIYGDNELX-UHFFFAOYSA-N 0 1 287.403 3.783 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)[C@@H](C)CCc1cccc(F)c1 ZINC000902018264 1129971875 /nfs/dbraw/zinc/97/18/75/1129971875.db2.gz CDHCVLQGTWVLOQ-BBRMVZONSA-N 0 1 295.398 3.578 20 0 CHADMN CCn1cnc(CN[C@H](CC(C)C)c2ccccc2)c1 ZINC000902034143 1129973126 /nfs/dbraw/zinc/97/31/26/1129973126.db2.gz HIDGOBDIJVVTHI-QGZVFWFLSA-N 0 1 271.408 3.780 20 0 CHADMN CNc1ccccc1CN[C@@H](C)c1ccccc1OC ZINC000902037170 1129973539 /nfs/dbraw/zinc/97/35/39/1129973539.db2.gz WXMJWYHPYZAYHO-ZDUSSCGKSA-N 0 1 270.376 3.588 20 0 CHADMN CNc1ccccc1CN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000902053554 1129974909 /nfs/dbraw/zinc/97/49/09/1129974909.db2.gz YRJSHCIWUCZLHY-ZDUSSCGKSA-N 0 1 297.402 3.538 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC(CC(C)C)CC2)o1 ZINC000771445642 1129981073 /nfs/dbraw/zinc/98/10/73/1129981073.db2.gz BDIAKFBJXXHVGE-CYBMUJFWSA-N 0 1 250.386 3.802 20 0 CHADMN Cc1ccc([C@H](C)C(=O)Nc2cc(F)cc(Cl)c2O)o1 ZINC000771512904 1129982986 /nfs/dbraw/zinc/98/29/86/1129982986.db2.gz RIADFDQGYTYSAQ-QMMMGPOBSA-N 0 1 297.713 3.828 20 0 CHADMN O=C(/C=C\c1cccs1)Nc1cc(F)cc(Cl)c1O ZINC000771504720 1129983130 /nfs/dbraw/zinc/98/31/30/1129983130.db2.gz LWLUFRBXGMSTKV-ARJAWSKDSA-N 0 1 297.738 3.898 20 0 CHADMN CCCCCN(CN1Cc2ccc(F)cc2C1=O)C(C)C ZINC000771622635 1129986324 /nfs/dbraw/zinc/98/63/24/1129986324.db2.gz HXDFUPGJXPHGRT-UHFFFAOYSA-N 0 1 292.398 3.640 20 0 CHADMN CCn1cnc(CN[C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000902195413 1129987131 /nfs/dbraw/zinc/98/71/31/1129987131.db2.gz OEYYYIYRTVAUQQ-KRWDZBQOSA-N 0 1 287.382 3.673 20 0 CHADMN CNc1ccccc1CN[C@H]1COc2c1ccc(C)c2C ZINC000902204305 1129988364 /nfs/dbraw/zinc/98/83/64/1129988364.db2.gz HBCYFLFABKJECP-KRWDZBQOSA-N 0 1 282.387 3.568 20 0 CHADMN CCn1cnc(CN[C@H](C)c2csc3ccccc23)c1 ZINC000902214517 1129989613 /nfs/dbraw/zinc/98/96/13/1129989613.db2.gz WEDKXHZTOHFNIW-GFCCVEGCSA-N 0 1 285.416 3.969 20 0 CHADMN CCCCOC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000772102406 1130004125 /nfs/dbraw/zinc/00/41/25/1130004125.db2.gz REQGATVFIHJVHP-UHFFFAOYSA-N 0 1 272.348 3.650 20 0 CHADMN CC[C@@H](NCc1cc(C)ccc1NC)c1c(C)noc1C ZINC000902415350 1130009149 /nfs/dbraw/zinc/00/91/49/1130009149.db2.gz FBTBYFFIRXIXSF-OAHLLOKOSA-N 0 1 287.407 3.882 20 0 CHADMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1ccc(/C=C/C(=O)[O-])o1)C1CC1 ZINC000902516882 1130017850 /nfs/dbraw/zinc/01/78/50/1130017850.db2.gz MWMMRTGVYWBXTB-CCJARXIYSA-N 0 1 291.391 3.776 20 0 CHADMN CC[C@H](C)[C@H](C)[N@@H+](Cc1ccc(/C=C\C(=O)[O-])o1)C1CC1 ZINC000902516883 1130017964 /nfs/dbraw/zinc/01/79/64/1130017964.db2.gz MWMMRTGVYWBXTB-DQKWEHNMSA-N 0 1 291.391 3.776 20 0 CHADMN C[N@@H+](CCC(C)(C)C(=O)[O-])C1CCCCCCC1 ZINC000902517783 1130019252 /nfs/dbraw/zinc/01/92/52/1130019252.db2.gz BMGBEMQWSOVZAJ-UHFFFAOYSA-N 0 1 255.402 3.532 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000902523199 1130020315 /nfs/dbraw/zinc/02/03/15/1130020315.db2.gz GVJXIUPDRAQOGU-AWEZNQCLSA-N 0 1 295.810 3.978 20 0 CHADMN CCc1oc(C[N@H+]2CCCC[C@H]2C2CCC2)cc1C(=O)[O-] ZINC000902535438 1130021697 /nfs/dbraw/zinc/02/16/97/1130021697.db2.gz ZSIYCZQGSJXHEK-HNNXBMFYSA-N 0 1 291.391 3.695 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1nccc2ccccc21 ZINC000772445084 1130022299 /nfs/dbraw/zinc/02/22/99/1130022299.db2.gz HDUXBXZMBAARNO-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)[C@H](C)C(C)C ZINC000902546454 1130022490 /nfs/dbraw/zinc/02/24/90/1130022490.db2.gz DAXMXIBMJHGJKF-LLVKDONJSA-N 0 1 283.799 3.905 20 0 CHADMN COc1ccc(-c2ccc(C(C)=O)cc2)cc1CN(C)C ZINC001239631258 1130023962 /nfs/dbraw/zinc/02/39/62/1130023962.db2.gz RIIXJBTZYKOQBM-UHFFFAOYSA-N 0 1 283.371 3.626 20 0 CHADMN CN(C)Cc1cc(-c2cc(F)cc(F)c2)ccc1F ZINC001239657568 1130036105 /nfs/dbraw/zinc/03/61/05/1130036105.db2.gz PKZNIKHHQCNKKM-UHFFFAOYSA-N 0 1 265.278 3.833 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)C[C@H]2NCc1ccco1 ZINC000902721266 1130044152 /nfs/dbraw/zinc/04/41/52/1130044152.db2.gz XAWAHGZMWKXVAQ-YVEFUNNKSA-N 0 1 271.360 3.701 20 0 CHADMN CCc1ccc(N(CC)C(=O)c2ccc3cncn3c2)cc1 ZINC000785820175 1130056609 /nfs/dbraw/zinc/05/66/09/1130056609.db2.gz DOELJIGEQTUZEP-UHFFFAOYSA-N 0 1 293.370 3.563 20 0 CHADMN Clc1ncccc1CN1CCC[C@H](c2ccncc2)C1 ZINC000829812052 1130058223 /nfs/dbraw/zinc/05/82/23/1130058223.db2.gz NORZSHPJAOHSCS-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN c1cc2cc(-c3ccccc3CN3CCOCC3)ccc2[nH]1 ZINC001239695256 1130058784 /nfs/dbraw/zinc/05/87/84/1130058784.db2.gz PZPIZLNAPIWYRK-UHFFFAOYSA-N 0 1 292.382 3.667 20 0 CHADMN CCCn1cc([C@@H](C)N[C@H](c2ccccc2)C2CCC2)nn1 ZINC000902791073 1130059267 /nfs/dbraw/zinc/05/92/67/1130059267.db2.gz SWABJMDPLYHPEG-RDTXWAMCSA-N 0 1 298.434 3.880 20 0 CHADMN CC(C)(C)c1nc2nc[nH]c2c(-c2cccc(F)c2F)n1 ZINC001239706130 1130063576 /nfs/dbraw/zinc/06/35/76/1130063576.db2.gz WWSOUXXIKWETQE-UHFFFAOYSA-N 0 1 288.301 3.547 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccc(C(F)(F)F)cn1 ZINC000902889953 1130078725 /nfs/dbraw/zinc/07/87/25/1130078725.db2.gz TWZFZUVLJARQDO-VHSXEESVSA-N 0 1 283.297 3.840 20 0 CHADMN CC(C)=CCN[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902970484 1130093284 /nfs/dbraw/zinc/09/32/84/1130093284.db2.gz MIDVKBFEMJMYAG-SNVBAGLBSA-N 0 1 258.287 3.717 20 0 CHADMN CC(=O)Nc1ccc(-c2cccc(CN(C)C)c2F)cc1 ZINC001239757665 1130096159 /nfs/dbraw/zinc/09/61/59/1130096159.db2.gz FQEAFYDKMKTFLA-UHFFFAOYSA-N 0 1 286.350 3.513 20 0 CHADMN COc1ccc(C)cc1-c1cc2nc[nH]c2cc1F ZINC001239768889 1130100185 /nfs/dbraw/zinc/10/01/85/1130100185.db2.gz TVVAICPGVABWMP-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CC(C)[C@@H](N[C@@H]1CC(C)(C)c2ccccc21)c1nncn1C ZINC000903062348 1130106675 /nfs/dbraw/zinc/10/66/75/1130106675.db2.gz UJPNTCOEZULVIU-HZPDHXFCSA-N 0 1 298.434 3.524 20 0 CHADMN CCC(F)(F)CN[C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000903069965 1130107259 /nfs/dbraw/zinc/10/72/59/1130107259.db2.gz NEZLMKCRAIFGQF-ZIAGYGMSSA-N 0 1 275.383 3.607 20 0 CHADMN CC(C)[C@@H](N[C@@H]1CC[C@@H](C)c2ccccc21)c1nncn1C ZINC000903062527 1130107992 /nfs/dbraw/zinc/10/79/92/1130107992.db2.gz VQJZUAKQFFABHT-KBRIMQKVSA-N 0 1 298.434 3.740 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@@H](c1nncn1C)C(C)C ZINC000903063889 1130108046 /nfs/dbraw/zinc/10/80/46/1130108046.db2.gz INFNTMZQQCWXQP-UKPHBRMFSA-N 0 1 298.434 3.659 20 0 CHADMN CC[C@H](N[C@H](C)c1cnn(CC2CCC2)c1)c1ccncc1 ZINC000903100446 1130112288 /nfs/dbraw/zinc/11/22/88/1130112288.db2.gz SMHBIESFNINRJB-KDOFPFPSSA-N 0 1 298.434 3.880 20 0 CHADMN COC(=O)c1cc2ccc(-c3ccc(C)cc3C)[nH]c-2n1 ZINC001239811102 1130118457 /nfs/dbraw/zinc/11/84/57/1130118457.db2.gz BMTDYSFVGIZYSP-UHFFFAOYSA-N 0 1 280.327 3.633 20 0 CHADMN Cc1cscc1CN[C@H](C)c1ccnc(Cl)c1 ZINC000786929613 1130122894 /nfs/dbraw/zinc/12/28/94/1130122894.db2.gz SZXDFMFYVKQGEV-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN c1c[nH]c([C@@H](NCC[C@@H]2CC[C@H]3C[C@H]32)c2ccccc2)n1 ZINC000903167110 1130122907 /nfs/dbraw/zinc/12/29/07/1130122907.db2.gz ZEUCKKNAMMUQQV-HJWJTTGWSA-N 0 1 281.403 3.525 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1nccc3c1CCCC3)CC2 ZINC000903183600 1130125947 /nfs/dbraw/zinc/12/59/47/1130125947.db2.gz DRGMAPNMPCGQJN-GOSISDBHSA-N 0 1 296.389 3.877 20 0 CHADMN COc1ccc([C@H](C)NCc2nccc3c2CCCC3)cc1 ZINC000903185548 1130126233 /nfs/dbraw/zinc/12/62/33/1130126233.db2.gz VFZOMKZBISEEBO-AWEZNQCLSA-N 0 1 296.414 3.820 20 0 CHADMN COc1cccc([C@@H](C)NCc2nccc3c2CCCC3)c1 ZINC000903187843 1130127292 /nfs/dbraw/zinc/12/72/92/1130127292.db2.gz INXXVYZTQDOMRH-CQSZACIVSA-N 0 1 296.414 3.820 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(F)nc2C)cc1 ZINC000787049087 1130127967 /nfs/dbraw/zinc/12/79/67/1130127967.db2.gz MGDQWXLFVJRFRO-UHFFFAOYSA-N 0 1 272.367 3.724 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2nccnc2C)cc1C ZINC000903234016 1130133362 /nfs/dbraw/zinc/13/33/62/1130133362.db2.gz LOQRHMLBDXIUDA-TZMCWYRMSA-N 0 1 285.391 3.514 20 0 CHADMN CC(C)(CN[C@H](c1ncc[nH]1)c1ccccc1)C1CC1 ZINC000903243884 1130135265 /nfs/dbraw/zinc/13/52/65/1130135265.db2.gz JZIYRRPLAMBWEL-HNNXBMFYSA-N 0 1 269.392 3.525 20 0 CHADMN COc1ncccc1-c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC001239855353 1130135869 /nfs/dbraw/zinc/13/58/69/1130135869.db2.gz AJSKAQITKLOGIX-UHFFFAOYSA-N 0 1 293.248 3.652 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2OC[C@@H]1F)C(C)(C)C(F)F ZINC000903266587 1130140616 /nfs/dbraw/zinc/14/06/16/1130140616.db2.gz PTYDJNYYEQUGGN-XHVZSJERSA-N 0 1 287.325 3.728 20 0 CHADMN C[C@H](CCC(F)(F)F)N[C@H]1c2ccccc2OC[C@@H]1F ZINC000903273129 1130142513 /nfs/dbraw/zinc/14/25/13/1130142513.db2.gz UCQXDYVMPFTSBS-CDMKHQONSA-N 0 1 291.288 3.779 20 0 CHADMN COc1ncc(-c2cccc3nc(C)[nH]c32)cc1Cl ZINC001242932625 1130143829 /nfs/dbraw/zinc/14/38/29/1130143829.db2.gz GNLZPFCTYBLJRN-UHFFFAOYSA-N 0 1 273.723 3.595 20 0 CHADMN C[C@@H](N[C@H](C)c1cncs1)c1cnn(CC2CCC2)c1 ZINC000903304685 1130149926 /nfs/dbraw/zinc/14/99/26/1130149926.db2.gz BXQXLUVBNSPLIM-VXGBXAGGSA-N 0 1 290.436 3.552 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)cc1N(C)C)c1cncs1 ZINC000903308680 1130149979 /nfs/dbraw/zinc/14/99/79/1130149979.db2.gz BEBPUIIVEQXRIU-GHMZBOCLSA-N 0 1 293.411 3.760 20 0 CHADMN Cc1c([C@@H](C)N[C@@H](C)c2cncs2)cnn1C(C)C ZINC000903309631 1130151077 /nfs/dbraw/zinc/15/10/77/1130151077.db2.gz FVPUUHPREVXUEZ-MNOVXSKESA-N 0 1 278.425 3.641 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccc1N(C)C)c1cncs1 ZINC000903311516 1130151688 /nfs/dbraw/zinc/15/16/88/1130151688.db2.gz PHZBAQUWASGBHJ-VXGBXAGGSA-N 0 1 275.421 3.621 20 0 CHADMN Cc1cccnc1[C@H](N[C@H]1CCCc2n[nH]cc21)C(C)(C)C ZINC000903327854 1130155904 /nfs/dbraw/zinc/15/59/04/1130155904.db2.gz ADKSYIOIGZUARY-YOEHRIQHSA-N 0 1 298.434 3.868 20 0 CHADMN COCc1cccc(-c2cc(F)c3c(c2)CN(C)CC3)c1 ZINC001239938795 1130160900 /nfs/dbraw/zinc/16/09/00/1130160900.db2.gz YHHGNNODVNPWOH-UHFFFAOYSA-N 0 1 285.362 3.627 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2CCc3ccc(Cl)nc32)s1 ZINC000787753318 1130160957 /nfs/dbraw/zinc/16/09/57/1130160957.db2.gz GBEAMNXFZDNJOY-LLVKDONJSA-N 0 1 293.823 3.585 20 0 CHADMN Oc1ccc2c(c1)[C@@H](N[C@H](c1ccccn1)C1CC1)CCC2 ZINC000903335888 1130161232 /nfs/dbraw/zinc/16/12/32/1130161232.db2.gz UKIIDHVTCKRIAF-HKUYNNGSSA-N 0 1 294.398 3.906 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@@H](c1ccccn1)C1CC1 ZINC000903337802 1130161782 /nfs/dbraw/zinc/16/17/82/1130161782.db2.gz FQBFTRKULMGAMO-FZKQIMNGSA-N 0 1 282.387 3.892 20 0 CHADMN CC(C)CCC[C@H](C)N1CCC(F)(F)[C@@H](F)C1 ZINC001170078039 1130164645 /nfs/dbraw/zinc/16/46/45/1130164645.db2.gz OQLIEPLOTRSKKL-RYUDHWBXSA-N 0 1 251.336 3.880 20 0 CHADMN COCc1ccccc1-c1ccc2nc[nH]c2c1C ZINC001239953135 1130169018 /nfs/dbraw/zinc/16/90/18/1130169018.db2.gz ZHVUACWGDLCFOL-UHFFFAOYSA-N 0 1 252.317 3.685 20 0 CHADMN C[C@@H](NCC[C@H](O)C1CC1)c1cc(Cl)sc1Cl ZINC000903405726 1130170557 /nfs/dbraw/zinc/17/05/57/1130170557.db2.gz QTQCYQXJUAPIAK-XCBNKYQSSA-N 0 1 294.247 3.867 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000903407333 1130171041 /nfs/dbraw/zinc/17/10/41/1130171041.db2.gz GHMFMGPOMFILMY-YOEHRIQHSA-N 0 1 289.419 3.570 20 0 CHADMN CO[C@@H]1CC[C@H](N[C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000788061907 1130171244 /nfs/dbraw/zinc/17/12/44/1130171244.db2.gz HJWBDKMZNQGPSR-AEGPPILISA-N 0 1 286.375 3.560 20 0 CHADMN CCc1ccc2ccccc2c1C[N@H+]1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000903408496 1130171833 /nfs/dbraw/zinc/17/18/33/1130171833.db2.gz JTSADHHMVKQGKG-UGSOOPFHSA-N 0 1 297.398 3.840 20 0 CHADMN Cc1ncccc1CCN[C@@H](C)c1csc(C(C)C)n1 ZINC000903414518 1130172545 /nfs/dbraw/zinc/17/25/45/1130172545.db2.gz BLIMSIFPZHZWFD-ZDUSSCGKSA-N 0 1 289.448 3.863 20 0 CHADMN COC1(CN[C@H](C)c2nccs2)CCCCCC1 ZINC000903417880 1130174070 /nfs/dbraw/zinc/17/40/70/1130174070.db2.gz GZEVAEMXUSRQAA-GFCCVEGCSA-N 0 1 268.426 3.533 20 0 CHADMN C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1ccnn1C1CCC1 ZINC000903428640 1130175444 /nfs/dbraw/zinc/17/54/44/1130175444.db2.gz JKJDHCRSDLNDOH-FZKQIMNGSA-N 0 1 296.418 3.805 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000903591861 1130183355 /nfs/dbraw/zinc/18/33/55/1130183355.db2.gz UPSDYFPTNKAEKG-XJKSGUPXSA-N 0 1 291.435 3.915 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000903593976 1130183386 /nfs/dbraw/zinc/18/33/86/1130183386.db2.gz AONFOUMKYXLQKC-LESCRADOSA-N 0 1 289.419 3.539 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](CC)Cc1ccc(Cl)s1 ZINC000903595766 1130183884 /nfs/dbraw/zinc/18/38/84/1130183884.db2.gz NWZZKXHCSCKOTI-SKDRFNHKSA-N 0 1 289.828 3.723 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000903594431 1130183906 /nfs/dbraw/zinc/18/39/06/1130183906.db2.gz CDWWMHQIENMZTR-USXIJHARSA-N 0 1 289.419 3.755 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000903601026 1130184465 /nfs/dbraw/zinc/18/44/65/1130184465.db2.gz IXFXBKNLMWYELQ-SFHVURJKSA-N 0 1 289.419 3.572 20 0 CHADMN CC(C)Cc1ccccc1C[N@@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000903599892 1130184957 /nfs/dbraw/zinc/18/49/57/1130184957.db2.gz AZKKNLUAIMJRLI-CQSZACIVSA-N 0 1 289.419 3.570 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000903672328 1130188419 /nfs/dbraw/zinc/18/84/19/1130188419.db2.gz ARMQYDUSABOXJA-YPMHNXCESA-N 0 1 281.421 3.847 20 0 CHADMN CCC[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1ccc(C)cc1 ZINC000903693910 1130190059 /nfs/dbraw/zinc/19/00/59/1130190059.db2.gz QHVFARYQEZLVBV-UHFFFAOYSA-N 0 1 289.419 3.852 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@@H]2c2cccs2)CCC1 ZINC000903693393 1130190111 /nfs/dbraw/zinc/19/01/11/1130190111.db2.gz KEBSIYVTWFTJHZ-GFCCVEGCSA-N 0 1 279.405 3.530 20 0 CHADMN CC[C@@H](C)[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1ccccc1 ZINC000903693126 1130190148 /nfs/dbraw/zinc/19/01/48/1130190148.db2.gz HNWVBYMQVDLQRO-OAHLLOKOSA-N 0 1 289.419 3.932 20 0 CHADMN CC[C@H]1c2ccsc2CC[N@@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903696518 1130190666 /nfs/dbraw/zinc/19/06/66/1130190666.db2.gz IIJYQVFHUKLRON-ZDUSSCGKSA-N 0 1 293.432 3.702 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC000903696495 1130190683 /nfs/dbraw/zinc/19/06/83/1130190683.db2.gz HRRCDRWJAKOPCP-LBPRGKRZSA-N 0 1 295.810 3.978 20 0 CHADMN C[N@@H+](CCC1(C(=O)[O-])CCC1)[C@H]1CCCc2ccccc21 ZINC000903692780 1130190722 /nfs/dbraw/zinc/19/07/22/1130190722.db2.gz BCPWNWOUHUAQQY-INIZCTEOSA-N 0 1 287.403 3.641 20 0 CHADMN O=C([O-])C1(CC[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)CCC1 ZINC000903697753 1130190972 /nfs/dbraw/zinc/19/09/72/1130190972.db2.gz ZIEMPVVEPDZYQN-QGZVFWFLSA-N 0 1 299.414 3.783 20 0 CHADMN COc1ccc(-c2cccc(CN(C)C)c2F)c(F)c1 ZINC001240024678 1130197469 /nfs/dbraw/zinc/19/74/69/1130197469.db2.gz KGUOVPWUQPZDRM-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN CCC(CC)c1cc(CN[C@@H](C)c2cc[nH]c(=O)c2)on1 ZINC000788615623 1130198039 /nfs/dbraw/zinc/19/80/39/1130198039.db2.gz VWIXCVDRFZZCQA-NSHDSACASA-N 0 1 289.379 3.530 20 0 CHADMN CCC[C@@H](C)[N@@H+](C)Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903887695 1130208346 /nfs/dbraw/zinc/20/83/46/1130208346.db2.gz AIISKFYVSVDYMI-MRVPVSSYSA-N 0 1 293.285 3.617 20 0 CHADMN Cc1nc2ccc(-c3cccc(C(=O)NC(C)C)c3)cc2[nH]1 ZINC001240080591 1130208732 /nfs/dbraw/zinc/20/87/32/1130208732.db2.gz KVTDGRBHIPPNPC-UHFFFAOYSA-N 0 1 293.370 3.677 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](C[C@@H]1C[C@H]1C(=O)[O-])CC1CCC1 ZINC000903894458 1130209303 /nfs/dbraw/zinc/20/93/03/1130209303.db2.gz XDKZLNDKXQAORJ-XOKHGSTOSA-N 0 1 287.403 3.570 20 0 CHADMN CCCCNC(=O)c1cccc(-c2cccn3cncc23)c1 ZINC001240087601 1130210612 /nfs/dbraw/zinc/21/06/12/1130210612.db2.gz MBXSTCQWBRFEQN-UHFFFAOYSA-N 0 1 293.370 3.531 20 0 CHADMN O=C([O-])c1ccc2c(c1)CC[N@H+](CC1CCC3(CC3)CC1)C2 ZINC000903912825 1130210849 /nfs/dbraw/zinc/21/08/49/1130210849.db2.gz JDBBDEAQJNVNRQ-UHFFFAOYSA-N 0 1 299.414 3.713 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCC2CCCCC2)[C@H](C)[C@H]1C(=O)[O-] ZINC000903951458 1130211655 /nfs/dbraw/zinc/21/16/55/1130211655.db2.gz KGTFGLGNIWTEQH-CTASWTNQSA-N 0 1 281.440 3.776 20 0 CHADMN CC1(C)C[C@H](c2ccccc2)C[N@H+]1CCCCCC(=O)[O-] ZINC000903935303 1130211890 /nfs/dbraw/zinc/21/18/90/1130211890.db2.gz WNMSOGZUCOGPOP-INIZCTEOSA-N 0 1 289.419 3.900 20 0 CHADMN CC1(C)C[C@@H](c2ccccc2)C[N@H+]1Cc1occc1C(=O)[O-] ZINC000903934881 1130212156 /nfs/dbraw/zinc/21/21/56/1130212156.db2.gz SISMVTUEQLFGLW-CQSZACIVSA-N 0 1 299.370 3.746 20 0 CHADMN C[C@H](C[N@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]1C)CC(C)(C)C ZINC000903952812 1130212418 /nfs/dbraw/zinc/21/24/18/1130212418.db2.gz WNLHJCCFVSOAMT-VQJWOFKYSA-N 0 1 283.456 3.878 20 0 CHADMN COc1ccc(F)c(-c2cc3nc[nH]c3cc2C)c1 ZINC001240117427 1130214442 /nfs/dbraw/zinc/21/44/42/1130214442.db2.gz DFVYVVVRHFURFR-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN COc1ccc(F)c(-c2cc3nc[nH]c3cc2F)c1 ZINC001240120341 1130216071 /nfs/dbraw/zinc/21/60/71/1130216071.db2.gz MVFSSCZDLWLRQQ-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN CCCC[C@@H](CC)CC(=O)Nc1ccc2cncn2c1 ZINC001157396296 1130218884 /nfs/dbraw/zinc/21/88/84/1130218884.db2.gz KWIKTQQYDRWAFU-CYBMUJFWSA-N 0 1 273.380 3.879 20 0 CHADMN CC[C@H](C)CN(CC)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000748264036 1130226599 /nfs/dbraw/zinc/22/65/99/1130226599.db2.gz ZNNSTJIZSUWFNA-ZOBUZTSGSA-N 0 1 288.435 3.532 20 0 CHADMN C[C@H]1CC[C@H](NC2(c3ccc(C(F)(F)F)cc3)COC2)C1 ZINC001170104884 1130247292 /nfs/dbraw/zinc/24/72/92/1130247292.db2.gz NUAONPOIWSQROT-FZMZJTMJSA-N 0 1 299.336 3.709 20 0 CHADMN CC1(C)CN(C[C@H](O)c2ccccc2F)[C@@H]1c1ccccc1 ZINC000748833675 1130250536 /nfs/dbraw/zinc/25/05/36/1130250536.db2.gz TXYAIQOKFVXJBJ-ZWKOTPCHSA-N 0 1 299.389 3.942 20 0 CHADMN Cc1ccc(OCCN2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000748831649 1130251269 /nfs/dbraw/zinc/25/12/69/1130251269.db2.gz AQGWXRYOYRBDDC-GOSISDBHSA-N 0 1 285.362 3.960 20 0 CHADMN COc1cc(-c2cccc3nc(C(F)(F)F)[nH]c32)ccn1 ZINC001240259278 1130251635 /nfs/dbraw/zinc/25/16/35/1130251635.db2.gz ZJHAYJCTHQWQDB-UHFFFAOYSA-N 0 1 293.248 3.652 20 0 CHADMN FC(F)(F)c1cc(-c2cc(N3CCCC3)ccn2)ccn1 ZINC001240335557 1130268014 /nfs/dbraw/zinc/26/80/14/1130268014.db2.gz AQLGWMWLPYTJSF-UHFFFAOYSA-N 0 1 293.292 3.763 20 0 CHADMN CCCN(Cc1ccccc1)CN1C(=O)C(C)(C)C1(C)C ZINC000749165348 1130270344 /nfs/dbraw/zinc/27/03/44/1130270344.db2.gz UTPOZTBVRJRKSC-UHFFFAOYSA-N 0 1 288.435 3.503 20 0 CHADMN Cc1ccc(CCN[C@H](C)c2nc(C)sc2C)o1 ZINC000676838250 1130272874 /nfs/dbraw/zinc/27/28/74/1130272874.db2.gz ANHJKVQJSXBOKK-SNVBAGLBSA-N 0 1 264.394 3.555 20 0 CHADMN Cn1c2ccc(Cl)cc2nc1CN[C@H]1CCC(F)(F)C1 ZINC000676902997 1130276142 /nfs/dbraw/zinc/27/61/42/1130276142.db2.gz URWDOBAUCVMAKF-JTQLQIEISA-N 0 1 299.752 3.504 20 0 CHADMN CC(C)C[C@H](C)COC(=O)c1c(F)cc(O)cc1F ZINC000798623401 1130278491 /nfs/dbraw/zinc/27/84/91/1130278491.db2.gz FHZCAYSSMAQJPQ-VIFPVBQESA-N 0 1 272.291 3.509 20 0 CHADMN CCc1[nH]ncc1C(=O)N1CC(CC)(CC)c2ccccc21 ZINC000676989470 1130280295 /nfs/dbraw/zinc/28/02/95/1130280295.db2.gz MYVCJKKLVGFVCS-UHFFFAOYSA-N 0 1 297.402 3.690 20 0 CHADMN Cc1c(CN2CCC[C@@H]3CCCC[C@@H]32)nc2ccccn12 ZINC001137273432 1130280582 /nfs/dbraw/zinc/28/05/82/1130280582.db2.gz MXYPDUBQFIDLQE-RDJZCZTQSA-N 0 1 283.419 3.797 20 0 CHADMN CC(C)n1cnc2cc(-c3ccc(CN(C)C)cn3)ccc21 ZINC001240368681 1130280947 /nfs/dbraw/zinc/28/09/47/1130280947.db2.gz KMAWTBLHIUISAF-UHFFFAOYSA-N 0 1 294.402 3.741 20 0 CHADMN Fc1ccc(-n2ccc(CN3CCC[C@H](C4CC4)C3)n2)cc1 ZINC000677046864 1130284835 /nfs/dbraw/zinc/28/48/35/1130284835.db2.gz AAPYMXQPDJOHEC-HNNXBMFYSA-N 0 1 299.393 3.633 20 0 CHADMN C[C@@H](c1noc(-c2ccccc2)n1)N1CCC[C@@H](C2CC2)C1 ZINC000677061527 1130286192 /nfs/dbraw/zinc/28/61/92/1130286192.db2.gz CNINIDDAPJKLQX-XJKSGUPXSA-N 0 1 297.402 3.920 20 0 CHADMN C[C@@H](c1noc(-c2ccccc2)n1)N1CCC[C@H](C2CC2)C1 ZINC000677061522 1130286414 /nfs/dbraw/zinc/28/64/14/1130286414.db2.gz CNINIDDAPJKLQX-BBRMVZONSA-N 0 1 297.402 3.920 20 0 CHADMN CN(C)Cc1ccc(NC(=O)[C@]2(C)CC=CCC2)cc1F ZINC000826848600 1130289677 /nfs/dbraw/zinc/28/96/77/1130289677.db2.gz XEQDOJNJMHQKBF-QGZVFWFLSA-N 0 1 290.382 3.572 20 0 CHADMN Cc1nc2ccc(-c3cccc(C(C)(C)O)c3)cc2[nH]1 ZINC001240407009 1130293869 /nfs/dbraw/zinc/29/38/69/1130293869.db2.gz UJNGRKMZOXINFB-UHFFFAOYSA-N 0 1 266.344 3.766 20 0 CHADMN CCOc1ccc(CNC(C)(C)c2cccs2)nc1 ZINC000677148672 1130294016 /nfs/dbraw/zinc/29/40/16/1130294016.db2.gz BDKYRVYIJUNYAQ-UHFFFAOYSA-N 0 1 276.405 3.567 20 0 CHADMN CN(C)c1ccnc(-c2ccc(C(=O)OC(C)(C)C)cc2)c1 ZINC001240437442 1130313009 /nfs/dbraw/zinc/31/30/09/1130313009.db2.gz NDUAJHQYPRRUOG-UHFFFAOYSA-N 0 1 298.386 3.770 20 0 CHADMN C[C@@H]1CCSCCN1Cn1c2ccccc2oc1=S ZINC000790481261 1130314884 /nfs/dbraw/zinc/31/48/84/1130314884.db2.gz PSEAURLQOMOVGP-LLVKDONJSA-N 0 1 294.445 3.749 20 0 CHADMN CCC1(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000677600352 1130318660 /nfs/dbraw/zinc/31/86/60/1130318660.db2.gz MZQWLKGDGCKXFX-UHFFFAOYSA-N 0 1 279.290 3.629 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N1CC[C@@H](C(F)(F)F)C1)CC2 ZINC000677714202 1130321803 /nfs/dbraw/zinc/32/18/03/1130321803.db2.gz RVXQFXWVEBHUHC-MFKMUULPSA-N 0 1 273.273 3.697 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CCC2(CC2)CC1 ZINC000677716539 1130322156 /nfs/dbraw/zinc/32/21/56/1130322156.db2.gz JFQFAGYPNSKQSQ-UHFFFAOYSA-N 0 1 287.382 3.571 20 0 CHADMN Fc1ccc2c(c1)[C@H](N1CC[C@@H](C(F)(F)F)C1)CC2 ZINC000677714203 1130322461 /nfs/dbraw/zinc/32/24/61/1130322461.db2.gz RVXQFXWVEBHUHC-ZWNOBZJWSA-N 0 1 273.273 3.697 20 0 CHADMN Fc1ccc(-c2cc(CN3CC[C@H](C(F)F)C3)on2)cc1 ZINC000677731140 1130325381 /nfs/dbraw/zinc/32/53/81/1130325381.db2.gz KHHCMPRHWQCZJV-NSHDSACASA-N 0 1 296.292 3.568 20 0 CHADMN CCC1=C(C(=O)Nc2cc(F)cc(Cl)c2O)CCCO1 ZINC000790902039 1130338818 /nfs/dbraw/zinc/33/88/18/1130338818.db2.gz SOABONUVKZANJB-UHFFFAOYSA-N 0 1 299.729 3.598 20 0 CHADMN CC(=O)c1ccc(NC(=O)c2c(C)n[nH]c2C(C)C)cc1C ZINC000677940857 1130338988 /nfs/dbraw/zinc/33/89/88/1130338988.db2.gz FUUJXQDUZOMPPJ-UHFFFAOYSA-N 0 1 299.374 3.605 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C=CC1CCCCC1 ZINC000791052187 1130348720 /nfs/dbraw/zinc/34/87/20/1130348720.db2.gz TXXLYGMINNQBCX-FPLPWBNLSA-N 0 1 283.375 3.946 20 0 CHADMN CCN(Cc1cccs1)Cc1n[nH]c2ccccc21 ZINC000678125134 1130353679 /nfs/dbraw/zinc/35/36/79/1130353679.db2.gz WPRHNPNVZOFECY-UHFFFAOYSA-N 0 1 271.389 3.647 20 0 CHADMN CCN(Cc1cccs1)Cc1[nH]nc2ccccc21 ZINC000678125134 1130353684 /nfs/dbraw/zinc/35/36/84/1130353684.db2.gz WPRHNPNVZOFECY-UHFFFAOYSA-N 0 1 271.389 3.647 20 0 CHADMN O=C(OC/C=C/c1ccccc1)c1c(F)cc(O)cc1F ZINC000746984970 1130355455 /nfs/dbraw/zinc/35/54/55/1130355455.db2.gz CBXNQUZUXQNPGJ-QPJJXVBHSA-N 0 1 290.265 3.541 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N(Cc1cn[nH]c1)C1CC1 ZINC000678135318 1130357602 /nfs/dbraw/zinc/35/76/02/1130357602.db2.gz LTLDRVOCIUJSBJ-LLVKDONJSA-N 0 1 275.783 3.789 20 0 CHADMN CCCN(Cc1cccc(O)c1)Cc1ccccc1F ZINC000678146715 1130359792 /nfs/dbraw/zinc/35/97/92/1130359792.db2.gz OYYDLPBWLHQBEK-UHFFFAOYSA-N 0 1 273.351 3.944 20 0 CHADMN COCCN(Cc1cccc(O)c1)Cc1ccc(C)cc1C ZINC000678155456 1130362399 /nfs/dbraw/zinc/36/23/99/1130362399.db2.gz QHRSFSRPWFQVRA-UHFFFAOYSA-N 0 1 299.414 3.658 20 0 CHADMN Cc1nc(CN2CCC(c3cccnc3)CC2)sc1C ZINC000678170654 1130367265 /nfs/dbraw/zinc/36/72/65/1130367265.db2.gz JSLGFYOTLGKNFD-UHFFFAOYSA-N 0 1 287.432 3.535 20 0 CHADMN Clc1cscc1CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000678185507 1130369387 /nfs/dbraw/zinc/36/93/87/1130369387.db2.gz BPCODDOZGLXAAU-JTQLQIEISA-N 0 1 281.812 3.504 20 0 CHADMN Cn1ccc2ccc(-c3cc(F)c4c(c3)CN(C)CC4)cc21 ZINC001240577292 1130370370 /nfs/dbraw/zinc/37/03/70/1130370370.db2.gz SHNIIQVGHBSRSQ-UHFFFAOYSA-N 0 1 294.373 3.972 20 0 CHADMN c1cc2cnc(-c3ccc(N4CCCCC4)nc3)cc2[nH]1 ZINC001240581587 1130371374 /nfs/dbraw/zinc/37/13/74/1130371374.db2.gz LSCBRVSDXUDNKD-UHFFFAOYSA-N 0 1 278.359 3.615 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1ccc(N2CCCCC2)nc1 ZINC001240584279 1130372148 /nfs/dbraw/zinc/37/21/48/1130372148.db2.gz PZZUARKNXPPMFE-UHFFFAOYSA-N 0 1 292.386 3.924 20 0 CHADMN c1c[nH]c([C@H]2CCCCN2C[C@H]2CCOc3ccccc32)n1 ZINC000678225146 1130373780 /nfs/dbraw/zinc/37/37/80/1130373780.db2.gz YZRCCUNESOQELE-GDBMZVCRSA-N 0 1 297.402 3.503 20 0 CHADMN CCN(Cc1ccoc1)Cc1nccc2ccccc21 ZINC000678233839 1130376820 /nfs/dbraw/zinc/37/68/20/1130376820.db2.gz BPSASLMRQBZTKL-UHFFFAOYSA-N 0 1 266.344 3.850 20 0 CHADMN Fc1ccccc1CN(Cc1cn[nH]c1)C1CCCCC1 ZINC000678240640 1130377587 /nfs/dbraw/zinc/37/75/87/1130377587.db2.gz JJSJWWXTAPLJBL-UHFFFAOYSA-N 0 1 287.382 3.884 20 0 CHADMN C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1[C@H](C)C[C@@H]1C ZINC000791575601 1130383815 /nfs/dbraw/zinc/38/38/15/1130383815.db2.gz XIPYFOKLAJRTNY-HZSPNIEDSA-N 0 1 288.435 3.794 20 0 CHADMN Cc1cc(CN2CCC2(C)C)c(OC(F)F)cc1C ZINC000678269057 1130384173 /nfs/dbraw/zinc/38/41/73/1130384173.db2.gz JJNDHBDCJBEHCL-UHFFFAOYSA-N 0 1 269.335 3.889 20 0 CHADMN CCc1ccc([C@@H]2CCCCCN2Cc2cn[nH]c2)o1 ZINC000678274073 1130387013 /nfs/dbraw/zinc/38/70/13/1130387013.db2.gz CRWHTZFBWUMDPV-HNNXBMFYSA-N 0 1 273.380 3.682 20 0 CHADMN C[C@H]1c2ccc(F)cc2CCN1Cc1ccc2c[nH]nc2c1 ZINC000678275812 1130387173 /nfs/dbraw/zinc/38/71/73/1130387173.db2.gz CZVCNRFJYKMJTD-LBPRGKRZSA-N 0 1 295.361 3.821 20 0 CHADMN COCc1ccc(CN2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000678283513 1130390292 /nfs/dbraw/zinc/39/02/92/1130390292.db2.gz MQBOWVOADGVPKD-GOSISDBHSA-N 0 1 285.362 3.919 20 0 CHADMN Fc1cccc([C@H]2CCN2Cc2[nH]nc3ccccc32)c1 ZINC000678283551 1130392138 /nfs/dbraw/zinc/39/21/38/1130392138.db2.gz NWDJRNYSLNMADN-QGZVFWFLSA-N 0 1 281.334 3.649 20 0 CHADMN C[C@H]1C[N@@H+](Cc2[nH]nc3ccccc32)[C@H]1c1ccccc1 ZINC000678295946 1130392990 /nfs/dbraw/zinc/39/29/90/1130392990.db2.gz ROGUWTVJMVHAQP-SCLBCKFNSA-N 0 1 277.371 3.756 20 0 CHADMN C[C@H]1C[N@@H+](Cc2n[nH]c3ccccc32)[C@H]1c1ccccc1 ZINC000678295946 1130393003 /nfs/dbraw/zinc/39/30/03/1130393003.db2.gz ROGUWTVJMVHAQP-SCLBCKFNSA-N 0 1 277.371 3.756 20 0 CHADMN C[C@H]1CN(Cc2[nH]nc3ccccc32)[C@H]1c1ccccc1 ZINC000678295946 1130393008 /nfs/dbraw/zinc/39/30/08/1130393008.db2.gz ROGUWTVJMVHAQP-SCLBCKFNSA-N 0 1 277.371 3.756 20 0 CHADMN C[C@H]1C[N@@H+](Cc2[nH]nc3ccccc32)[C@@H]1c1ccccc1 ZINC000678295947 1130393760 /nfs/dbraw/zinc/39/37/60/1130393760.db2.gz ROGUWTVJMVHAQP-UGSOOPFHSA-N 0 1 277.371 3.756 20 0 CHADMN C[C@H]1C[N@@H+](Cc2n[nH]c3ccccc32)[C@@H]1c1ccccc1 ZINC000678295947 1130393776 /nfs/dbraw/zinc/39/37/76/1130393776.db2.gz ROGUWTVJMVHAQP-UGSOOPFHSA-N 0 1 277.371 3.756 20 0 CHADMN C[C@H]1CN(Cc2[nH]nc3ccccc32)[C@@H]1c1ccccc1 ZINC000678295947 1130393782 /nfs/dbraw/zinc/39/37/82/1130393782.db2.gz ROGUWTVJMVHAQP-UGSOOPFHSA-N 0 1 277.371 3.756 20 0 CHADMN Cc1cc(C)c(CN2CCN(c3c(C)cccc3C)CC2)[nH]1 ZINC001137332085 1130398680 /nfs/dbraw/zinc/39/86/80/1130398680.db2.gz GAMGHGGVWOEWOM-UHFFFAOYSA-N 0 1 297.446 3.571 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3cc4ccsc4[nH]3)ccc12 ZINC000678330057 1130400528 /nfs/dbraw/zinc/40/05/28/1130400528.db2.gz VYMTZASUOIRVCN-UHFFFAOYSA-N 0 1 296.355 3.666 20 0 CHADMN Clc1cscc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000678340120 1130400700 /nfs/dbraw/zinc/40/07/00/1130400700.db2.gz SENMKLPHAPKUOF-VXGBXAGGSA-N 0 1 285.840 3.650 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(C)nc2C)cc1F ZINC000678411358 1130412064 /nfs/dbraw/zinc/41/20/64/1130412064.db2.gz LFBDTQBCKPPEGA-LBPRGKRZSA-N 0 1 288.366 3.697 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](C)c2cnccc2C)o1 ZINC000678425556 1130415401 /nfs/dbraw/zinc/41/54/01/1130415401.db2.gz BBRWVALORDMBFH-QWHCGFSZSA-N 0 1 258.365 3.957 20 0 CHADMN FC(F)c1cccc(-c2nc[nH]c3nc(=S)sc2-3)c1 ZINC001240691313 1130420352 /nfs/dbraw/zinc/42/03/52/1130420352.db2.gz GRJGZJOXIYKZGJ-UHFFFAOYSA-N 0 1 295.339 3.980 20 0 CHADMN COc1ccc(C)cc1CN[C@H](C)c1ccccc1N(C)C ZINC000678581050 1130431239 /nfs/dbraw/zinc/43/12/39/1130431239.db2.gz NFYFOBVOBMWQPE-OAHLLOKOSA-N 0 1 298.430 3.920 20 0 CHADMN C[C@@H](N[C@@H](CO)CC1CC1)c1cc(Cl)sc1Cl ZINC000678606117 1130439758 /nfs/dbraw/zinc/43/97/58/1130439758.db2.gz GUCZPBUNODLMSV-VXNVDRBHSA-N 0 1 294.247 3.867 20 0 CHADMN CCc1c(C)cc(-c2[nH]ccc3ncnc2-3)cc1C ZINC001240739044 1130448786 /nfs/dbraw/zinc/44/87/86/1130448786.db2.gz XZOHAIQVIQZQFS-UHFFFAOYSA-N 0 1 251.333 3.804 20 0 CHADMN CCc1c(C)cc(-c2nccc3[nH]cnc32)cc1C ZINC001240739044 1130448791 /nfs/dbraw/zinc/44/87/91/1130448791.db2.gz XZOHAIQVIQZQFS-UHFFFAOYSA-N 0 1 251.333 3.804 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2C)C(C)(C)C)nn1C ZINC000678786163 1130454823 /nfs/dbraw/zinc/45/48/23/1130454823.db2.gz ZDSDWTSLQGHBPI-QGZVFWFLSA-N 0 1 285.435 3.914 20 0 CHADMN CCCCCc1cc(C(=O)N2CCC[C@H](CCC)C2)n[nH]1 ZINC001137350224 1130455447 /nfs/dbraw/zinc/45/54/47/1130455447.db2.gz GCYOQIDXKQNZGS-AWEZNQCLSA-N 0 1 291.439 3.795 20 0 CHADMN F[C@@H]1CCC2(C1)CCN(Cc1n[nH]c3ccccc31)CC2 ZINC001137351254 1130456867 /nfs/dbraw/zinc/45/68/67/1130456867.db2.gz VVLUPJCOKIQTJQ-CYBMUJFWSA-N 0 1 287.382 3.667 20 0 CHADMN CN(Cc1ccsc1)Cc1cn(C)nc1-c1ccccc1 ZINC000678811201 1130458273 /nfs/dbraw/zinc/45/82/73/1130458273.db2.gz AIAWJCZQNQCHRZ-UHFFFAOYSA-N 0 1 297.427 3.781 20 0 CHADMN c1ccc2c(c1)CCCN(Cc1nc3c(s1)CCC3)C2 ZINC000678823540 1130461359 /nfs/dbraw/zinc/46/13/59/1130461359.db2.gz QMQGMWACDNOGNG-UHFFFAOYSA-N 0 1 284.428 3.580 20 0 CHADMN CCO[C@@H](C)c1noc(CN[C@H](CC)C2CCCCC2)n1 ZINC000678895728 1130467520 /nfs/dbraw/zinc/46/75/20/1130467520.db2.gz UAGKSSGJVIBBMW-GXTWGEPZSA-N 0 1 295.427 3.616 20 0 CHADMN CC(C)CO[C@@H]1C[C@@H](NCc2cc(C(C)C)no2)C1(C)C ZINC000678926577 1130471711 /nfs/dbraw/zinc/47/17/11/1130471711.db2.gz CWPHPUWBTBELOP-HZPDHXFCSA-N 0 1 294.439 3.727 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)N1CCC[C@@H]1CF ZINC001170293092 1130475394 /nfs/dbraw/zinc/47/53/94/1130475394.db2.gz KMFKSKFOXWAWEU-WCQYABFASA-N 0 1 255.764 3.705 20 0 CHADMN CC(C)Oc1cc(F)ccc1-c1cc(N(C)C)ccn1 ZINC001243432918 1130484015 /nfs/dbraw/zinc/48/40/15/1130484015.db2.gz JYUJBONLNUOGJP-UHFFFAOYSA-N 0 1 274.339 3.741 20 0 CHADMN C[C@@H](NC1CC(c2cccc(F)c2)C1)c1cscn1 ZINC000679034799 1130486319 /nfs/dbraw/zinc/48/63/19/1130486319.db2.gz PENNPMBWRMPVJO-PWQPVHBWSA-N 0 1 276.380 3.879 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ncccc2C)cc1F ZINC001204037202 1130488322 /nfs/dbraw/zinc/48/83/22/1130488322.db2.gz FRTZLJHDWLHYTL-ZDUSSCGKSA-N 0 1 288.366 3.779 20 0 CHADMN CN1CCN(c2ccc(-c3cccc4ccoc43)cc2)CC1 ZINC001240852174 1130492825 /nfs/dbraw/zinc/49/28/25/1130492825.db2.gz MDLFSHGLGVNIAB-UHFFFAOYSA-N 0 1 292.382 3.852 20 0 CHADMN CCc1cccc(-c2ccc(N3CCN(C)CC3)cc2)c1 ZINC001240855889 1130493196 /nfs/dbraw/zinc/49/31/96/1130493196.db2.gz XDVSQYMLKNPDCQ-UHFFFAOYSA-N 0 1 280.415 3.668 20 0 CHADMN CC[C@@H](Nc1cnn(-c2ccncc2)c1)c1ccc(F)cc1 ZINC000679127319 1130495659 /nfs/dbraw/zinc/49/56/59/1130495659.db2.gz LSSUXDRIHOTWOH-QGZVFWFLSA-N 0 1 296.349 3.970 20 0 CHADMN O[C@H](c1ccc(Cl)cc1)C1CCN(CC2(F)CC2)CC1 ZINC000792818483 1130499683 /nfs/dbraw/zinc/49/96/83/1130499683.db2.gz AHTDFWCTVOXIHL-OAHLLOKOSA-N 0 1 297.801 3.588 20 0 CHADMN c1cncc(Oc2ccc(-c3cccc4[nH]nnc43)cc2)c1 ZINC001240884984 1130501286 /nfs/dbraw/zinc/50/12/86/1130501286.db2.gz VEEFZQXRZIYQPO-UHFFFAOYSA-N 0 1 288.310 3.812 20 0 CHADMN CCc1cccc(F)c1CN[C@H]1CCCc2nc(C)ncc21 ZINC000792977020 1130510017 /nfs/dbraw/zinc/51/00/17/1130510017.db2.gz HTNFQZVBTYCJOS-KRWDZBQOSA-N 0 1 299.393 3.654 20 0 CHADMN c1ccc(Oc2cccnc2)c(CN2CC=CCC2)c1 ZINC000679324480 1130514400 /nfs/dbraw/zinc/51/44/00/1130514400.db2.gz UDXAIJHFERUJPD-UHFFFAOYSA-N 0 1 266.344 3.636 20 0 CHADMN Cc1ccc(F)cc1-c1nc(C(C)(C)C)nc2nc[nH]c21 ZINC001240918322 1130516701 /nfs/dbraw/zinc/51/67/01/1130516701.db2.gz RMBQEKDPHSVUER-UHFFFAOYSA-N 0 1 284.338 3.717 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cc(F)ccc1C ZINC001240920243 1130517251 /nfs/dbraw/zinc/51/72/51/1130517251.db2.gz LUIBMQNCKAGJLA-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN2CC[C@H](C)[C@H](F)C2)cc1 ZINC000679360645 1130522742 /nfs/dbraw/zinc/52/27/42/1130522742.db2.gz VUYBPLFEWORVMI-XJKSGUPXSA-N 0 1 287.382 3.565 20 0 CHADMN COc1cc(CN(C)Cc2cc3ccccc3[nH]2)ccc1O ZINC000679394127 1130527346 /nfs/dbraw/zinc/52/73/46/1130527346.db2.gz ZTMVTGJPUFZCSP-UHFFFAOYSA-N 0 1 296.370 3.514 20 0 CHADMN FC1(CN[C@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000793182102 1130528662 /nfs/dbraw/zinc/52/86/62/1130528662.db2.gz JGNFJMLWJKNPGH-JTQLQIEISA-N 0 1 290.165 3.909 20 0 CHADMN Cc1ncc(CN2C[C@H](C(F)(F)F)CC[C@@H]2C)s1 ZINC000679539864 1130537069 /nfs/dbraw/zinc/53/70/69/1130537069.db2.gz CKJDJGORBARTIG-WCBMZHEXSA-N 0 1 278.343 3.614 20 0 CHADMN CCc1noc(C)c1CN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679542791 1130537412 /nfs/dbraw/zinc/53/74/12/1130537412.db2.gz RYMNYXYRLILIFX-GXSJLCMTSA-N 0 1 290.329 3.708 20 0 CHADMN Cc1nc(C)c(CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)s1 ZINC000679543201 1130537450 /nfs/dbraw/zinc/53/74/50/1130537450.db2.gz UKMLAUOAMHCBEC-KWQFWETISA-N 0 1 292.370 3.923 20 0 CHADMN CC(C)(C)c1ccc(CNCc2cccnc2F)s1 ZINC000793286529 1130538769 /nfs/dbraw/zinc/53/87/69/1130538769.db2.gz XVXJBWHLSQBHKM-UHFFFAOYSA-N 0 1 278.396 3.870 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@@H](C)c1cnccc1C ZINC000679575765 1130541196 /nfs/dbraw/zinc/54/11/96/1130541196.db2.gz SZRAOCWUSMXLIT-UONOGXRCSA-N 0 1 269.392 3.759 20 0 CHADMN Cc1ccc(CN2C[C@@H](C(F)(F)F)CC[C@H]2C)o1 ZINC000679583752 1130544490 /nfs/dbraw/zinc/54/44/90/1130544490.db2.gz HKEZGAIVKMYCGR-KOLCDFICSA-N 0 1 261.287 3.751 20 0 CHADMN CN(Cc1ccc(C(C)(C)C)[nH]1)C[C@@H]1Cc2ccccc2O1 ZINC001137380883 1130547636 /nfs/dbraw/zinc/54/76/36/1130547636.db2.gz ZYCXECRBFFLKCG-INIZCTEOSA-N 0 1 298.430 3.748 20 0 CHADMN CCCN(CC(=O)Nc1ccccc1)Cc1ccc(C)cc1 ZINC000679634986 1130548609 /nfs/dbraw/zinc/54/86/09/1130548609.db2.gz CICSIAKOYAWYEA-UHFFFAOYSA-N 0 1 296.414 3.846 20 0 CHADMN Cc1ccc(Br)c(CN2CCC[C@H]3C[C@H]32)c1 ZINC001137386098 1130553611 /nfs/dbraw/zinc/55/36/11/1130553611.db2.gz PFZAOKVLXJLPEU-SMDDNHRTSA-N 0 1 280.209 3.742 20 0 CHADMN Cc1ccc(Br)c(CN(C)CCC2CC2)c1 ZINC001137385843 1130552126 /nfs/dbraw/zinc/55/21/26/1130552126.db2.gz FPQQAAXIROUAMO-UHFFFAOYSA-N 0 1 282.225 3.989 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(Cl)cc2F)C(C)C)n[nH]1 ZINC000679751518 1130553886 /nfs/dbraw/zinc/55/38/86/1130553886.db2.gz YQHZANYNZXFOQD-HNNXBMFYSA-N 0 1 295.789 3.998 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(Cl)cc2F)C(C)C)[nH]n1 ZINC000679751518 1130553889 /nfs/dbraw/zinc/55/38/89/1130553889.db2.gz YQHZANYNZXFOQD-HNNXBMFYSA-N 0 1 295.789 3.998 20 0 CHADMN F[C@@H]1CN(Cc2cccc(-c3ccncc3)c2)C[C@@H]2C[C@@H]21 ZINC001137388904 1130557071 /nfs/dbraw/zinc/55/70/71/1130557071.db2.gz XCUVDIQYEMEGQN-OKZBNKHCSA-N 0 1 282.362 3.538 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1cn2c(cccc2F)n1 ZINC001139569908 1130557531 /nfs/dbraw/zinc/55/75/31/1130557531.db2.gz OCTVTKMALGCWBH-CQSZACIVSA-N 0 1 275.371 3.628 20 0 CHADMN C[C@@H]1CC[C@]2(CCN(Cc3noc4c3CCCC4)C2)C1 ZINC000679834155 1130558109 /nfs/dbraw/zinc/55/81/09/1130558109.db2.gz UBRYISAUJWHEDT-DYVFJYSZSA-N 0 1 274.408 3.566 20 0 CHADMN Cc1cc(C)c(-c2cc(C(=O)[O-])ccc2C)c(C)[nH+]1 ZINC001241005275 1130562198 /nfs/dbraw/zinc/56/21/98/1130562198.db2.gz LGUBLSFBHCOQIG-UHFFFAOYSA-N 0 1 255.317 3.680 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCSc3ccccc32)n(C)n1 ZINC000793522198 1130562284 /nfs/dbraw/zinc/56/22/84/1130562284.db2.gz DWXOHCLZLUAUBG-OCCSQVGLSA-N 0 1 287.432 3.616 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCc3c2cccc3Cl)n(C)n1 ZINC000793526183 1130563408 /nfs/dbraw/zinc/56/34/08/1130563408.db2.gz KOTFKULYMIAFRQ-NHYWBVRUSA-N 0 1 289.810 3.720 20 0 CHADMN CCCCC/C(=C/c1ccccc1)CNCc1cn(C)nn1 ZINC000679932410 1130563926 /nfs/dbraw/zinc/56/39/26/1130563926.db2.gz DGHJBIMMICTKMS-ATVHPVEESA-N 0 1 298.434 3.569 20 0 CHADMN CO[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000679951339 1130564025 /nfs/dbraw/zinc/56/40/25/1130564025.db2.gz DXONKOWYSFMHSW-CYBMUJFWSA-N 0 1 288.218 3.994 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCCc3ccc(F)cc32)n(C)n1 ZINC000793567743 1130570597 /nfs/dbraw/zinc/57/05/97/1130570597.db2.gz PMEUBRDNAZVURY-WBMJQRKESA-N 0 1 287.382 3.596 20 0 CHADMN CCCc1ccc(COC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000758139660 1130600683 /nfs/dbraw/zinc/60/06/83/1130600683.db2.gz UOKOHPGVIBLDDH-OAHLLOKOSA-N 0 1 298.386 3.526 20 0 CHADMN Cc1cc(O[C@@H]2CCCN(C)C2)c(Cl)cc1Cl ZINC001234056594 1130603133 /nfs/dbraw/zinc/60/31/33/1130603133.db2.gz GMEBODLJMADPSZ-SNVBAGLBSA-N 0 1 274.191 3.775 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000758335340 1130606332 /nfs/dbraw/zinc/60/63/32/1130606332.db2.gz ONOBRPYXYNKNIM-YQQAZPJKSA-N 0 1 294.483 3.582 20 0 CHADMN CN(C)c1ccnc(Cl)c1CN1CCC[C@](C)(F)CC1 ZINC001234097732 1130607917 /nfs/dbraw/zinc/60/79/17/1130607917.db2.gz YYBWFAKVIUMBKA-HNNXBMFYSA-N 0 1 299.821 3.515 20 0 CHADMN S=c1oc2ccccc2n1C[N@H+]1CCC2(CCC2)C1 ZINC000758393530 1130609954 /nfs/dbraw/zinc/60/99/54/1130609954.db2.gz KXFQWLMELGZCRV-UHFFFAOYSA-N 0 1 274.389 3.797 20 0 CHADMN S=c1oc2ccccc2n1CN1CCC2(CCC2)C1 ZINC000758393530 1130609957 /nfs/dbraw/zinc/60/99/57/1130609957.db2.gz KXFQWLMELGZCRV-UHFFFAOYSA-N 0 1 274.389 3.797 20 0 CHADMN CN(C)c1ccnc(Cl)c1CN1CCC[C@H]2CCC[C@@H]21 ZINC001234143591 1130611096 /nfs/dbraw/zinc/61/10/96/1130611096.db2.gz TZVVVYZUGIQSFV-OCCSQVGLSA-N 0 1 293.842 3.566 20 0 CHADMN CSc1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)s1 ZINC000811500568 1130617855 /nfs/dbraw/zinc/61/78/55/1130617855.db2.gz GZGRVBBVUOBKSA-LBPRGKRZSA-N 0 1 290.457 3.855 20 0 CHADMN CSc1c(Cl)cccc1O[C@H]1CCCN(C)C1 ZINC001234247488 1130624122 /nfs/dbraw/zinc/62/41/22/1130624122.db2.gz OAXOCCJAUBGWNL-JTQLQIEISA-N 0 1 271.813 3.535 20 0 CHADMN O=C1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21 ZINC001204043874 1130641372 /nfs/dbraw/zinc/64/13/72/1130641372.db2.gz AOQXXOLRMDSDAM-UHFFFAOYSA-N 0 1 297.423 3.868 20 0 CHADMN CCCC1(C(=O)Nc2ccc(CN(C)C)c(F)c2)CCC1 ZINC000759241043 1130646255 /nfs/dbraw/zinc/64/62/55/1130646255.db2.gz RGACOKHQGIIPMI-UHFFFAOYSA-N 0 1 292.398 3.796 20 0 CHADMN O[C@@H](CN1CC2(CCC2)[C@H]1C1CC1)c1cccc(Cl)c1 ZINC000811821417 1130650659 /nfs/dbraw/zinc/65/06/59/1130650659.db2.gz DYQVJKSODGROGA-JKSUJKDBSA-N 0 1 291.822 3.638 20 0 CHADMN CC(C)(C)c1nnc(CN2CCCC23CCCCC3)o1 ZINC000759399600 1130655649 /nfs/dbraw/zinc/65/56/49/1130655649.db2.gz QPCYWLNRYBZQBD-UHFFFAOYSA-N 0 1 277.412 3.666 20 0 CHADMN CCCCCC[C@H](O)CN[C@](C)(CC)c1nccs1 ZINC000759390252 1130655659 /nfs/dbraw/zinc/65/56/59/1130655659.db2.gz SQCRMGRVEUYUTI-DZGCQCFKSA-N 0 1 284.469 3.689 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2ccnc(Cl)c2)c1 ZINC000759628225 1130665453 /nfs/dbraw/zinc/66/54/53/1130665453.db2.gz WZCWZSOJZGHKHC-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)N1CCN(CC2CC2)CC1 ZINC000780405770 1130679271 /nfs/dbraw/zinc/67/92/71/1130679271.db2.gz PONZVFCEWUMPFL-SFHVURJKSA-N 0 1 294.483 3.537 20 0 CHADMN CCOC(OCC)c1ccc(CN2C[C@H](F)C[C@H]2C)cc1 ZINC001234859912 1130684612 /nfs/dbraw/zinc/68/46/12/1130684612.db2.gz BHVXMVOPMQZNQJ-CZUORRHYSA-N 0 1 295.398 3.691 20 0 CHADMN Cc1cc(CNc2cc3c(cn2)CCCC3)cnc1Cl ZINC000812345687 1130686694 /nfs/dbraw/zinc/68/66/94/1130686694.db2.gz JMAATDLFDFTLPY-UHFFFAOYSA-N 0 1 287.794 3.929 20 0 CHADMN Cc1[nH]ncc1CN1CCCc2cc(C(C)C)ccc21 ZINC000780768665 1130691059 /nfs/dbraw/zinc/69/10/59/1130691059.db2.gz BYXIADBUCQUVKS-UHFFFAOYSA-N 0 1 269.392 3.794 20 0 CHADMN Cc1[nH]ncc1CN1CCc2cc(C(C)(C)C)ccc21 ZINC000780775471 1130692023 /nfs/dbraw/zinc/69/20/23/1130692023.db2.gz XKJZIBMSCIHRPB-UHFFFAOYSA-N 0 1 269.392 3.578 20 0 CHADMN CCC/C(C)=C/C(=O)Nc1cc(C(=O)CC)ccc1O ZINC000812706610 1130708286 /nfs/dbraw/zinc/70/82/86/1130708286.db2.gz USPLEQDJMFAKAH-PKNBQFBNSA-N 0 1 275.348 3.670 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C=C2CCCCC2)c1 ZINC000812706118 1130708437 /nfs/dbraw/zinc/70/84/37/1130708437.db2.gz IYKBYCTWMQRTRD-UHFFFAOYSA-N 0 1 287.359 3.814 20 0 CHADMN Cc1cc(F)c(CN2C[C@H]3[C@H](CCC3(F)F)C2)c(F)c1 ZINC001235188682 1130721338 /nfs/dbraw/zinc/72/13/38/1130721338.db2.gz CEHYAIWTEBYYKU-PWSUYJOCSA-N 0 1 287.300 3.750 20 0 CHADMN Cc1cc(F)c(CN2C[C@H](C)C[C@@H](C)C2)c(F)c1 ZINC001235203255 1130722037 /nfs/dbraw/zinc/72/20/37/1130722037.db2.gz VCQGHVSMTQIDKH-VXGBXAGGSA-N 0 1 253.336 3.751 20 0 CHADMN Cc1cc(F)c(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(F)c1 ZINC001235191449 1130722642 /nfs/dbraw/zinc/72/26/42/1130722642.db2.gz XWLBQQZWIOMIAX-PHIMTYICSA-N 0 1 287.300 3.750 20 0 CHADMN Cc1cc(F)c(CN2CC[C@H](c3ccncc3)C2)c(F)c1 ZINC001235195230 1130723404 /nfs/dbraw/zinc/72/34/04/1130723404.db2.gz PRQFJPMXUZFMAV-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1ccc(-c2cccc(CN3CCOC[C@@H]3C)c2)cc1 ZINC001235309134 1130732638 /nfs/dbraw/zinc/73/26/38/1130732638.db2.gz UNRTUCILGTWJSH-INIZCTEOSA-N 0 1 281.399 3.883 20 0 CHADMN C[C@H](CNC(=O)c1n[nH]c2ccc(Cl)cc21)C(C)(C)C ZINC001133597891 1130738190 /nfs/dbraw/zinc/73/81/90/1130738190.db2.gz CDPHCKJXPYUNDM-SECBINFHSA-N 0 1 293.798 3.628 20 0 CHADMN CCOc1cc(O)cc(CN2CC3(C2)CCCCC3)c1 ZINC001235410432 1130740102 /nfs/dbraw/zinc/74/01/02/1130740102.db2.gz QRKBJLQYVBJQGD-UHFFFAOYSA-N 0 1 275.392 3.557 20 0 CHADMN CCOc1cc(O)cc(CN(C)Cc2ccc(CC)cc2)c1 ZINC001235410458 1130740180 /nfs/dbraw/zinc/74/01/80/1130740180.db2.gz QUCCHEHNTCNDOL-UHFFFAOYSA-N 0 1 299.414 3.985 20 0 CHADMN Cc1cc(OC(C)C)ncc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001235421030 1130741437 /nfs/dbraw/zinc/74/14/37/1130741437.db2.gz KGEFCOADBUPQAI-CVEARBPZSA-N 0 1 288.435 3.799 20 0 CHADMN CC(C)[C@@H](NCc1cccc(F)n1)c1ccc(F)c(F)c1 ZINC000781906762 1130746933 /nfs/dbraw/zinc/74/69/33/1130746933.db2.gz FWOOYSVCYLLRRQ-MRXNPFEDSA-N 0 1 294.320 3.986 20 0 CHADMN Cc1ccnc(CN2CCC[C@@H](C)[C@@H]2C)c1Cl ZINC001235580619 1130756257 /nfs/dbraw/zinc/75/62/57/1130756257.db2.gz NRGGWXBCFSVINY-PWSUYJOCSA-N 0 1 252.789 3.664 20 0 CHADMN Clc1ccc(CNCc2cccc3c2OCC3)s1 ZINC000693109699 1130756522 /nfs/dbraw/zinc/75/65/22/1130756522.db2.gz XDPYXCACQDWGLX-UHFFFAOYSA-N 0 1 279.792 3.626 20 0 CHADMN C[C@H]1CCN(Cc2ccccc2-c2ccncc2)CCC1=O ZINC001235612064 1130757964 /nfs/dbraw/zinc/75/79/64/1130757964.db2.gz KWZAEHLMAVWWFD-HNNXBMFYSA-N 0 1 294.398 3.550 20 0 CHADMN c1cc2c(o1)CCN(Cc1ccccc1-c1ccncc1)C2 ZINC001235620453 1130758314 /nfs/dbraw/zinc/75/83/14/1130758314.db2.gz JJPFKUUHHOWLFS-UHFFFAOYSA-N 0 1 290.366 3.900 20 0 CHADMN Cc1cncc(Br)c1CN1[C@H](C)CCC[C@H]1C ZINC001235638026 1130758671 /nfs/dbraw/zinc/75/86/71/1130758671.db2.gz QJRSCRJOVMGDJO-VXGBXAGGSA-N 0 1 297.240 3.915 20 0 CHADMN CCCCN(C)Cc1cccn1C(=O)OC(C)(C)C ZINC001235625255 1130759820 /nfs/dbraw/zinc/75/98/20/1130759820.db2.gz LRFBGDZRKWGAIR-UHFFFAOYSA-N 0 1 266.385 3.503 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2cccn2C(=O)OC(C)(C)C)C1 ZINC001235643846 1130760513 /nfs/dbraw/zinc/76/05/13/1130760513.db2.gz WLYFZTXRPUFJDP-KBPBESRZSA-N 0 1 292.423 3.749 20 0 CHADMN Cc1cncc(Br)c1CN1CCCC1(C)C ZINC001235633121 1130760909 /nfs/dbraw/zinc/76/09/09/1130760909.db2.gz AERCMVPXZJHASX-UHFFFAOYSA-N 0 1 283.213 3.527 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2cccn2C(=O)OC(C)(C)C)C1 ZINC001235638119 1130761106 /nfs/dbraw/zinc/76/11/06/1130761106.db2.gz WLYFZTXRPUFJDP-OKILXGFUSA-N 0 1 292.423 3.749 20 0 CHADMN Nc1ccc(F)c(CN2CCC[C@H]2c2ccccc2)c1F ZINC001235673953 1130765342 /nfs/dbraw/zinc/76/53/42/1130765342.db2.gz JQXYFZRYGPJCKI-INIZCTEOSA-N 0 1 288.341 3.884 20 0 CHADMN Fc1ccc2[nH]c(CN3CC[C@H](c4ccccc4)C3)nc2c1 ZINC001235683726 1130767944 /nfs/dbraw/zinc/76/79/44/1130767944.db2.gz PDHOHGWPFSWDHP-AWEZNQCLSA-N 0 1 295.361 3.692 20 0 CHADMN Fc1ccc2[nH]c(CN3CCC4(C3)CCCCC4)nc2c1 ZINC001235694460 1130769222 /nfs/dbraw/zinc/76/92/22/1130769222.db2.gz MTEKANXHLXCPLQ-UHFFFAOYSA-N 0 1 287.382 3.858 20 0 CHADMN CCOc1ccc(SCc2n[nH]c(C(C)C)n2)cc1 ZINC000813569481 1130775677 /nfs/dbraw/zinc/77/56/77/1130775677.db2.gz GWWYXVXLBKBFRE-UHFFFAOYSA-N 0 1 277.393 3.619 20 0 CHADMN CCOc1cc(CN2CCCC(F)(F)CC2)ccc1F ZINC001235792548 1130779451 /nfs/dbraw/zinc/77/94/51/1130779451.db2.gz DLSNMYMZRQNZPU-UHFFFAOYSA-N 0 1 287.325 3.846 20 0 CHADMN Cc1nc(F)ccc1CN1CCC(c2cccs2)CC1 ZINC001235817144 1130782652 /nfs/dbraw/zinc/78/26/52/1130782652.db2.gz ZFNZYAQJBBQWRL-UHFFFAOYSA-N 0 1 290.407 3.970 20 0 CHADMN Cc1nc2cc(CN3CC4(CCC4)C3)ccc2s1 ZINC001235851147 1130789716 /nfs/dbraw/zinc/78/97/16/1130789716.db2.gz UKSJXNYHERSNHN-UHFFFAOYSA-N 0 1 258.390 3.591 20 0 CHADMN CC1(C)[C@@H]2C[C@@H](n3c4cc(Cl)ccc4nc3CN)C[C@@H]21 ZINC001170714963 1130795717 /nfs/dbraw/zinc/79/57/17/1130795717.db2.gz CEWYIEQHDJEHHK-CNDDSTCGSA-N 0 1 289.810 3.756 20 0 CHADMN Cc1nc(C[N@H+](C(C)C)C2CCCC2)c(C)s1 ZINC000336712980 1130798626 /nfs/dbraw/zinc/79/86/26/1130798626.db2.gz SEMYXQNRTUZHJP-UHFFFAOYSA-N 0 1 252.427 3.913 20 0 CHADMN Fc1ccc2c(c1)CN(Cc1ccc3c(c1)CCCN3)CC2 ZINC001235905954 1130802063 /nfs/dbraw/zinc/80/20/63/1130802063.db2.gz VBTHERKTYWNSEO-UHFFFAOYSA-N 0 1 296.389 3.742 20 0 CHADMN Cc1cc(Cl)ccc1-c1cc2[nH]nnc2cc1F ZINC001245084782 1130805873 /nfs/dbraw/zinc/80/58/73/1130805873.db2.gz JRKHTZVRIYHUDK-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN FC(F)(F)Oc1ccc(-c2ccc3cncn3c2)cc1 ZINC001235929896 1130808851 /nfs/dbraw/zinc/80/88/51/1130808851.db2.gz IRAPMMYRMQUNAL-UHFFFAOYSA-N 0 1 278.233 3.900 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1ccccc1C(C)C ZINC000783316452 1130816200 /nfs/dbraw/zinc/81/62/00/1130816200.db2.gz MXJLGNACVYDZAP-AWEZNQCLSA-N 0 1 269.392 3.759 20 0 CHADMN CC1(C)[C@@H]2C[C@@H](NC3(c4ccc(Cl)cc4)COC3)C[C@@H]21 ZINC001170724358 1130820452 /nfs/dbraw/zinc/82/04/52/1130820452.db2.gz IQEUQYQNNXKDMA-QKDCVEJESA-N 0 1 291.822 3.590 20 0 CHADMN CCOCOc1ccc(CN(C)[C@H](C)c2ccco2)cc1 ZINC000783399337 1130822234 /nfs/dbraw/zinc/82/22/34/1130822234.db2.gz GBNYLIQEXFHBLQ-CQSZACIVSA-N 0 1 289.375 3.845 20 0 CHADMN Cc1cccc2c1ncnc2-c1c(F)cc(F)c(O)c1F ZINC001235985977 1130823595 /nfs/dbraw/zinc/82/35/95/1130823595.db2.gz OYSFAUXHUINILJ-UHFFFAOYSA-N 0 1 290.244 3.728 20 0 CHADMN Cc1ccc([C@H](C)Nc2ccc3c(n2)NCCO3)c(C)c1 ZINC001170725912 1130823628 /nfs/dbraw/zinc/82/36/28/1130823628.db2.gz RVEDIXNTWCDTND-ZDUSSCGKSA-N 0 1 283.375 3.676 20 0 CHADMN Oc1c(F)cc(F)c(-c2ncccc2C(F)(F)F)c1F ZINC001235987554 1130823746 /nfs/dbraw/zinc/82/37/46/1130823746.db2.gz XPQHYSFRMVYZSA-UHFFFAOYSA-N 0 1 293.166 3.890 20 0 CHADMN Cc1c[nH]c2nc(-c3c(F)cc(F)c(O)c3F)ccc12 ZINC001235983469 1130823884 /nfs/dbraw/zinc/82/38/84/1130823884.db2.gz BJGIAZZMMDKCPN-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN COC(=O)c1ccc(-c2c(F)cc(F)c(O)c2F)cc1C ZINC001235993006 1130824621 /nfs/dbraw/zinc/82/46/21/1130824621.db2.gz APHZQXIPLLMYKZ-UHFFFAOYSA-N 0 1 296.244 3.572 20 0 CHADMN Oc1c(F)cc(F)c(-c2cc(OCC3CC3)ccn2)c1F ZINC001235993637 1130824792 /nfs/dbraw/zinc/82/47/92/1130824792.db2.gz NTRIUGZVOVOFJT-UHFFFAOYSA-N 0 1 295.260 3.660 20 0 CHADMN Cc1ccc(-c2c(F)cc(F)c(O)c2F)c(F)c1 ZINC001235993139 1130825815 /nfs/dbraw/zinc/82/58/15/1130825815.db2.gz DMCQOQCGZWKCFU-UHFFFAOYSA-N 0 1 256.198 3.924 20 0 CHADMN Cc1cc(-c2c(F)cc(F)c(O)c2F)nc(C(C)(C)C)n1 ZINC001235994575 1130825835 /nfs/dbraw/zinc/82/58/35/1130825835.db2.gz UDIKPGIZGYVLGM-UHFFFAOYSA-N 0 1 296.292 3.872 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1c(F)cc(F)c(O)c1F ZINC001235999054 1130826446 /nfs/dbraw/zinc/82/64/46/1130826446.db2.gz WDRPNVXPDCMORA-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN Cc1c2nc[nH]c2ccc1-c1c(F)cc(F)c(O)c1F ZINC001235999054 1130826449 /nfs/dbraw/zinc/82/64/49/1130826449.db2.gz WDRPNVXPDCMORA-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN Oc1c(F)cc(F)c(-c2cccc(C3COC3)c2)c1F ZINC001235999045 1130826807 /nfs/dbraw/zinc/82/68/07/1130826807.db2.gz VWINPPMGOIJTAG-UHFFFAOYSA-N 0 1 280.245 3.590 20 0 CHADMN CC(=O)Nc1ccc(F)cc1-c1c(F)cc(F)c(O)c1F ZINC001235997254 1130827115 /nfs/dbraw/zinc/82/71/15/1130827115.db2.gz CKXNKMDXKFBJAS-UHFFFAOYSA-N 0 1 299.223 3.574 20 0 CHADMN CCc1cc2cc(-c3c(F)cc(F)c(O)c3F)cnc2[nH]1 ZINC001235998343 1130827252 /nfs/dbraw/zinc/82/72/52/1130827252.db2.gz LSIJDXINOFXXTP-UHFFFAOYSA-N 0 1 292.260 3.915 20 0 CHADMN Oc1c(F)cc(F)c(-c2cnc3ccoc3c2)c1F ZINC001235999025 1130827337 /nfs/dbraw/zinc/82/73/37/1130827337.db2.gz UTVNGIZDIOAQTD-UHFFFAOYSA-N 0 1 265.190 3.618 20 0 CHADMN Cc1nc2cccc(-c3c(F)cc(F)c(O)c3F)c2o1 ZINC001236003041 1130829170 /nfs/dbraw/zinc/82/91/70/1130829170.db2.gz ZJMQOBRRNGDDRI-UHFFFAOYSA-N 0 1 279.217 3.926 20 0 CHADMN COCc1cc(-c2c(F)cc(F)c(O)c2F)ccc1F ZINC001236002308 1130829449 /nfs/dbraw/zinc/82/94/49/1130829449.db2.gz MTZVIDBIKMSYFB-UHFFFAOYSA-N 0 1 286.224 3.762 20 0 CHADMN Cc1cc(N(C)C)ccc1-c1c(F)cc(F)c(O)c1F ZINC001236002084 1130830446 /nfs/dbraw/zinc/83/04/46/1130830446.db2.gz JRVIGKWJEPZSBY-UHFFFAOYSA-N 0 1 281.277 3.851 20 0 CHADMN Cc1ccc(N(C)C)c(-c2c(F)cc(F)c(O)c2F)c1 ZINC001236002055 1130830517 /nfs/dbraw/zinc/83/05/17/1130830517.db2.gz ISJQOFPFUTWKPP-UHFFFAOYSA-N 0 1 281.277 3.851 20 0 CHADMN Cc1cccc([C@H](N[C@@H]2CCCSC2)c2ccccn2)c1 ZINC000783525745 1130834857 /nfs/dbraw/zinc/83/48/57/1130834857.db2.gz PDHAXJHDRVOFKB-AEFFLSMTSA-N 0 1 298.455 3.965 20 0 CHADMN Cc1cc(-c2ccnn2Cc2ccccc2)cc2nc[nH]c21 ZINC001236047690 1130838856 /nfs/dbraw/zinc/83/88/56/1130838856.db2.gz HUHXWJMPXXDWNJ-UHFFFAOYSA-N 0 1 288.354 3.783 20 0 CHADMN C[C@H](Nc1cc(OCC2CC2)ccn1)c1cccc(N)c1 ZINC001170734126 1130845539 /nfs/dbraw/zinc/84/55/39/1130845539.db2.gz PQEHVTZVFPYYPI-LBPRGKRZSA-N 0 1 283.375 3.626 20 0 CHADMN CCOc1ccc(SCc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000814247617 1130856046 /nfs/dbraw/zinc/85/60/46/1130856046.db2.gz OMIVTOYNFBOTFI-UHFFFAOYSA-N 0 1 291.420 3.793 20 0 CHADMN CCOc1ccc(C)cc1CN1CCc2cc(N)ccc2C1 ZINC001236105011 1130864276 /nfs/dbraw/zinc/86/42/76/1130864276.db2.gz JUZPLHIFGHPSNL-UHFFFAOYSA-N 0 1 296.414 3.534 20 0 CHADMN CC(C)(C)c1nnc(COC(=O)C2CCCCCCC2)[nH]1 ZINC000814457377 1130875292 /nfs/dbraw/zinc/87/52/92/1130875292.db2.gz RXEBMPNTZKKTSI-UHFFFAOYSA-N 0 1 293.411 3.506 20 0 CHADMN CC(C)(C)c1nc(COC(=O)C2CCCCCCC2)n[nH]1 ZINC000814457377 1130875298 /nfs/dbraw/zinc/87/52/98/1130875298.db2.gz RXEBMPNTZKKTSI-UHFFFAOYSA-N 0 1 293.411 3.506 20 0 CHADMN CN[C@@H]1CCN1Cc1ccc(N(C)c2ccc(C)cc2)cc1 ZINC001236165818 1130878681 /nfs/dbraw/zinc/87/86/81/1130878681.db2.gz GOMUCRFRQKNARX-IBGZPJMESA-N 0 1 295.430 3.514 20 0 CHADMN CC(C)[C@@H](F)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000784146116 1130883738 /nfs/dbraw/zinc/88/37/38/1130883738.db2.gz NRRQWEWFMPGMPK-CYBMUJFWSA-N 0 1 291.370 3.793 20 0 CHADMN C[C@H](c1ccncc1)N(C)Cc1cncc2ccccc21 ZINC000784223811 1130892014 /nfs/dbraw/zinc/89/20/14/1130892014.db2.gz UEUBSGVQTYOZIY-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN Cl/C=C/CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000814666586 1130897571 /nfs/dbraw/zinc/89/75/71/1130897571.db2.gz IEVRSKGTEFXYGC-QSLRECBCSA-N 0 1 256.176 3.882 20 0 CHADMN Cl/C=C\CN1CCC(OC2CCCCC2)CC1 ZINC000747969120 1130901284 /nfs/dbraw/zinc/90/12/84/1130901284.db2.gz CXGFZHOGTAHWQD-WTKPLQERSA-N 0 1 257.805 3.553 20 0 CHADMN CCCC=Nc1nnc(C)cc1-c1nc2ccccc2n1C ZINC001170767177 1130918775 /nfs/dbraw/zinc/91/87/75/1130918775.db2.gz PAQGCZIRSBWLKP-BJMVGYQFSA-N 0 1 293.374 3.674 20 0 CHADMN Cc1ccc(Cl)cc1CN1CCc2c(N)cccc2C1 ZINC001236365128 1130920862 /nfs/dbraw/zinc/92/08/62/1130920862.db2.gz DQSTVSQRHNFTGD-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN Cc1ccc(F)c(-c2ncnc3ccsc32)c1O ZINC001236389519 1130925840 /nfs/dbraw/zinc/92/58/40/1130925840.db2.gz GCQRHAFKRUXKIK-UHFFFAOYSA-N 0 1 260.293 3.511 20 0 CHADMN c1n[nH]c2c1[C@@H](Nc1cccc(COCC3CC3)c1)CCC2 ZINC000796872474 1130941377 /nfs/dbraw/zinc/94/13/77/1130941377.db2.gz JPDIJGNDKYXGBN-KRWDZBQOSA-N 0 1 297.402 3.826 20 0 CHADMN CCOc1ncc(Cl)cc1-c1cc2nc[nH]c2c(C)c1 ZINC001236495205 1130957302 /nfs/dbraw/zinc/95/73/02/1130957302.db2.gz HKYCUMWUTHZLPI-UHFFFAOYSA-N 0 1 287.750 3.985 20 0 CHADMN CC(C)Oc1cncc(-c2cc(N3CCCCC3)ccn2)c1 ZINC001236516389 1130961369 /nfs/dbraw/zinc/96/13/69/1130961369.db2.gz SSRXWGADWGMCAR-UHFFFAOYSA-N 0 1 297.402 3.921 20 0 CHADMN CCOc1ccc(C)c(F)c1-c1ccc(CN(C)C)cn1 ZINC001236523451 1130963196 /nfs/dbraw/zinc/96/31/96/1130963196.db2.gz DJEQTMBCBMNWGV-UHFFFAOYSA-N 0 1 288.366 3.656 20 0 CHADMN CC(C)Oc1cc(-c2ccc(CN(C)C)c(F)c2)ccn1 ZINC001236568927 1130976750 /nfs/dbraw/zinc/97/67/50/1130976750.db2.gz AIDVAJROTFHGQA-UHFFFAOYSA-N 0 1 288.366 3.737 20 0 CHADMN CN(Cc1ccccc1)Cc1cc(F)cc2c1OCCC2 ZINC001236615261 1130984129 /nfs/dbraw/zinc/98/41/29/1130984129.db2.gz FRBJJNITNRPXCN-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN Fc1cc(CN2CCC[C@H]3CCC[C@@H]32)c2c(c1)CCCO2 ZINC001236631091 1130985852 /nfs/dbraw/zinc/98/58/52/1130985852.db2.gz YCQISTQJGTZCFI-DYVFJYSZSA-N 0 1 289.394 3.915 20 0 CHADMN Cc1cc(Cl)cc(CN2CCC3(CCC3)CC2)n1 ZINC001236638459 1130986274 /nfs/dbraw/zinc/98/62/74/1130986274.db2.gz FBQFHUBEIQIKDQ-UHFFFAOYSA-N 0 1 264.800 3.810 20 0 CHADMN Oc1cc(CN2CCC3(CC(F)(F)C3)CC2)ccc1F ZINC001236697624 1130996641 /nfs/dbraw/zinc/99/66/41/1130996641.db2.gz AHFXUPZASUWLPO-UHFFFAOYSA-N 0 1 285.309 3.543 20 0 CHADMN CCCC[NH+](CCCC)Cc1ccc(F)c([O-])c1 ZINC001236706461 1130996767 /nfs/dbraw/zinc/99/67/67/1130996767.db2.gz XRQFFMATHLHKRY-UHFFFAOYSA-N 0 1 253.361 3.934 20 0 CHADMN COC[C@@H](NCc1cc(C)nc(Cl)c1)c1ccccc1 ZINC000797600540 1130996910 /nfs/dbraw/zinc/99/69/10/1130996910.db2.gz YISDJZCYLBSNBX-OAHLLOKOSA-N 0 1 290.794 3.521 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1cccc2c1OCO2 ZINC000815562433 1130999849 /nfs/dbraw/zinc/99/98/49/1130999849.db2.gz FIMZAXWEGXKJOR-LBPRGKRZSA-N 0 1 287.334 3.714 20 0 CHADMN Cc1c(F)ccc(CN2CCC3(CCO3)CC2)c1Cl ZINC001236720195 1130999930 /nfs/dbraw/zinc/99/99/30/1130999930.db2.gz YANTXLKRDZJNQM-UHFFFAOYSA-N 0 1 283.774 3.542 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1ccc(F)cc1C ZINC000815565415 1131000544 /nfs/dbraw/zinc/00/05/44/1131000544.db2.gz NKXHBFUIDMQYND-SNVBAGLBSA-N 0 1 262.328 3.590 20 0 CHADMN CN(Cc1cccc2ccoc21)Cc1cccc2c1OCO2 ZINC001236739968 1131002612 /nfs/dbraw/zinc/00/26/12/1131002612.db2.gz HMFGHSRHYKGDSE-UHFFFAOYSA-N 0 1 295.338 3.794 20 0 CHADMN COc1ccc2c(c1)C[N@H+](Cc1cccc3ccoc31)C2 ZINC001236736967 1131002912 /nfs/dbraw/zinc/00/29/12/1131002912.db2.gz GQYJFRAQEVLARF-UHFFFAOYSA-N 0 1 279.339 3.957 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cccc3ccoc31)C2 ZINC001236736967 1131002917 /nfs/dbraw/zinc/00/29/17/1131002917.db2.gz GQYJFRAQEVLARF-UHFFFAOYSA-N 0 1 279.339 3.957 20 0 CHADMN COc1cc(CN2CCC[C@H](C)[C@H]2C)c(F)cc1F ZINC001236824204 1131014672 /nfs/dbraw/zinc/01/46/72/1131014672.db2.gz PBDKGZYTYQEFCV-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN COc1cc(CN2CC[C@@H](C)C[C@H]2C)c(F)cc1F ZINC001236836363 1131019666 /nfs/dbraw/zinc/01/96/66/1131019666.db2.gz ZXUWWPUAQCABTD-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN COc1cc(CN2CC[C@H]3CCCC[C@H]3C2)c(F)cc1F ZINC001236835290 1131019747 /nfs/dbraw/zinc/01/97/47/1131019747.db2.gz QNPZAJXPFIKGMY-OLZOCXBDSA-N 0 1 295.373 3.986 20 0 CHADMN Cc1cccc(CN(C)C[C@@H]2CCCCO2)c1Cl ZINC001236853040 1131023253 /nfs/dbraw/zinc/02/32/53/1131023253.db2.gz IEPHAYNBJMIOET-AWEZNQCLSA-N 0 1 267.800 3.649 20 0 CHADMN Oc1cccc2c1CCN(Cc1ccc(F)c3ccoc31)C2 ZINC001236890979 1131028873 /nfs/dbraw/zinc/02/88/73/1131028873.db2.gz OZDVXQNKJXCNGW-UHFFFAOYSA-N 0 1 297.329 3.836 20 0 CHADMN Fc1ccc(CN2CCOc3ccccc3C2)c2occc21 ZINC001236906992 1131030889 /nfs/dbraw/zinc/03/08/89/1131030889.db2.gz VKJVXSJLYVKIPK-UHFFFAOYSA-N 0 1 297.329 3.967 20 0 CHADMN CSCCN(C)Cc1ccc(-c2ccccc2F)nc1 ZINC001236991965 1131034846 /nfs/dbraw/zinc/03/48/46/1131034846.db2.gz BHJIYLIYMSTWAN-UHFFFAOYSA-N 0 1 290.407 3.683 20 0 CHADMN CC(=O)C1CCN(Cc2ccccc2OC(C)(C)C)CC1 ZINC001237030781 1131038325 /nfs/dbraw/zinc/03/83/25/1131038325.db2.gz HBPAJWQVUULCNX-UHFFFAOYSA-N 0 1 289.419 3.665 20 0 CHADMN C[C@H]1CCN1Cc1ccc(NC(=O)OC(C)(C)C)c(F)c1 ZINC001237035443 1131038538 /nfs/dbraw/zinc/03/85/38/1131038538.db2.gz BXAJTPPGSVHOID-NSHDSACASA-N 0 1 294.370 3.767 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1cccc(OC(C)(C)C)c1 ZINC001237098402 1131048793 /nfs/dbraw/zinc/04/87/93/1131048793.db2.gz LDPLGFWQHVREDM-TZMCWYRMSA-N 0 1 265.372 3.796 20 0 CHADMN CCC[N@H+](Cc1sc(=O)[n-]c1Cl)[C@@H](C)CC ZINC001237156379 1131060272 /nfs/dbraw/zinc/06/02/72/1131060272.db2.gz AZJZEFFKQSMLFZ-QMMMGPOBSA-N 0 1 262.806 3.513 20 0 CHADMN CCC[N@@H+](Cc1sc(=O)[n-]c1Cl)[C@@H](C)CC ZINC001237156379 1131060276 /nfs/dbraw/zinc/06/02/76/1131060276.db2.gz AZJZEFFKQSMLFZ-QMMMGPOBSA-N 0 1 262.806 3.513 20 0 CHADMN CCN(C)c1ccccc1CN[C@H]1CCCc2cccnc21 ZINC000798928979 1131062342 /nfs/dbraw/zinc/06/23/42/1131062342.db2.gz JDBIBWUXAHBNOZ-KRWDZBQOSA-N 0 1 295.430 3.705 20 0 CHADMN [S-]c1ccoc1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001237180472 1131064963 /nfs/dbraw/zinc/06/49/63/1131064963.db2.gz XHPBCFRDYWYNHH-AWEZNQCLSA-N 0 1 273.401 3.948 20 0 CHADMN [S-]c1ccoc1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001237180472 1131064970 /nfs/dbraw/zinc/06/49/70/1131064970.db2.gz XHPBCFRDYWYNHH-AWEZNQCLSA-N 0 1 273.401 3.948 20 0 CHADMN Clc1ccc(CN2CC[C@H](c3ccccn3)C2)s1 ZINC000798962414 1131065378 /nfs/dbraw/zinc/06/53/78/1131065378.db2.gz MBCCZZUFDRZUFV-NSHDSACASA-N 0 1 278.808 3.786 20 0 CHADMN c1cc(CN2CCc3cccnc3C2)c2cccccc1-2 ZINC001237193539 1131068098 /nfs/dbraw/zinc/06/80/98/1131068098.db2.gz QJKMIBOGJPWWFF-UHFFFAOYSA-N 0 1 274.367 3.745 20 0 CHADMN COc1cccc(CN2CCC[C@H](CF)C2)c1Cl ZINC001237189761 1131069432 /nfs/dbraw/zinc/06/94/32/1131069432.db2.gz UNAQRPLARKYKGY-LLVKDONJSA-N 0 1 271.763 3.530 20 0 CHADMN FC(F)(F)c1ccccc1CN1CCNC2=CCCC[C@H]21 ZINC001237221375 1131072662 /nfs/dbraw/zinc/07/26/62/1131072662.db2.gz VVUBWEFSAUMBQN-OAHLLOKOSA-N 0 1 296.336 3.547 20 0 CHADMN Clc1ccc(CN2CCNC3=CCCC[C@@H]32)cc1Cl ZINC001237220161 1131073015 /nfs/dbraw/zinc/07/30/15/1131073015.db2.gz QTWSDKBCFPZNNT-HNNXBMFYSA-N 0 1 297.229 3.835 20 0 CHADMN CCN(Cc1cc(O)c(C)cc1Br)C(C)C ZINC001237294503 1131078971 /nfs/dbraw/zinc/07/89/71/1131078971.db2.gz KMAXSFQBOPKTNJ-UHFFFAOYSA-N 0 1 286.213 3.693 20 0 CHADMN BrC1=CCCN(c2ccnc3ccccc32)C1 ZINC000799325431 1131079389 /nfs/dbraw/zinc/07/93/89/1131079389.db2.gz LMGALJMTZDKQON-UHFFFAOYSA-N 0 1 289.176 3.724 20 0 CHADMN CCCN(CC)Cc1cc(O)c(C)cc1Br ZINC001237295017 1131079497 /nfs/dbraw/zinc/07/94/97/1131079497.db2.gz QSWOZUPPNJLLQD-UHFFFAOYSA-N 0 1 286.213 3.695 20 0 CHADMN C[C@@H]1CCCN(Cc2ccncc2C(F)(F)F)[C@H]1C ZINC001237289927 1131079777 /nfs/dbraw/zinc/07/97/77/1131079777.db2.gz IFHCFUVLZNYWFO-MNOVXSKESA-N 0 1 272.314 3.721 20 0 CHADMN CCc1cccc(C)c1CN1CC[C@](C)(F)[C@@H](F)C1 ZINC001237324604 1131082673 /nfs/dbraw/zinc/08/26/73/1131082673.db2.gz OZNIWVANLJKRHW-HOTGVXAUSA-N 0 1 267.363 3.829 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@](C)(O)[C@H](C)C2)c1Cl ZINC001138022898 1131085432 /nfs/dbraw/zinc/08/54/32/1131085432.db2.gz QSNYZHLUHNBRBU-WBMJQRKESA-N 0 1 299.817 3.770 20 0 CHADMN CCc1cccc(C)c1C[N@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001237335985 1131086145 /nfs/dbraw/zinc/08/61/45/1131086145.db2.gz RSPXIZTXLQUDBH-WMZOPIPTSA-N 0 1 285.431 3.891 20 0 CHADMN CCCC(=CC(=O)OCc1nnc(C(C)(C)C)[nH]1)CCC ZINC000816407725 1131086493 /nfs/dbraw/zinc/08/64/93/1131086493.db2.gz NGOBYSVWQZBCSA-UHFFFAOYSA-N 0 1 293.411 3.672 20 0 CHADMN CCCC(=CC(=O)OCc1n[nH]c(C(C)(C)C)n1)CCC ZINC000816407725 1131086498 /nfs/dbraw/zinc/08/64/98/1131086498.db2.gz NGOBYSVWQZBCSA-UHFFFAOYSA-N 0 1 293.411 3.672 20 0 CHADMN Cc1ccc(Cl)c(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1Cl ZINC001237332771 1131087570 /nfs/dbraw/zinc/08/75/70/1131087570.db2.gz YKZNHLQMQFIWHN-RTCCRHLQSA-N 0 1 288.193 3.949 20 0 CHADMN Cc1ccc(Cl)c(CN2C[C@H]3[C@H](CF)[C@H]3C2)c1Cl ZINC001237332771 1131087574 /nfs/dbraw/zinc/08/75/74/1131087574.db2.gz YKZNHLQMQFIWHN-RTCCRHLQSA-N 0 1 288.193 3.949 20 0 CHADMN CCc1cccc(C)c1C[N@@H+](C)Cc1ccccn1 ZINC001237331630 1131087583 /nfs/dbraw/zinc/08/75/83/1131087583.db2.gz BEPYRBAKLQEKKF-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN CCc1cccc(C)c1CN(C)Cc1ccccn1 ZINC001237331630 1131087588 /nfs/dbraw/zinc/08/75/88/1131087588.db2.gz BEPYRBAKLQEKKF-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN FC[C@@H]1CCCN(Cc2ccc(OC(F)F)c(F)c2)C1 ZINC001237357245 1131090108 /nfs/dbraw/zinc/09/01/08/1131090108.db2.gz PPTMBHFRBYDNPF-NSHDSACASA-N 0 1 291.288 3.609 20 0 CHADMN c1nc(-c2ccccc2)oc1CN1CC2(C1)CCCC2 ZINC001237363094 1131093315 /nfs/dbraw/zinc/09/33/15/1131093315.db2.gz JJUVXHFKYMIPLS-UHFFFAOYSA-N 0 1 268.360 3.718 20 0 CHADMN C[C@@H]1CCCN(Cc2cnc(Cl)c(F)c2)C[C@@H]1C ZINC001237398079 1131094909 /nfs/dbraw/zinc/09/49/09/1131094909.db2.gz OFIZSXAZKFLLQH-MNOVXSKESA-N 0 1 270.779 3.742 20 0 CHADMN COc1ccc2c(c1)[nH]nc2CN1CCC[C@H]2CCCC[C@@H]21 ZINC001237390913 1131095622 /nfs/dbraw/zinc/09/56/22/1131095622.db2.gz KSCMFBYJKHZGAB-ACJLOTCBSA-N 0 1 299.418 3.726 20 0 CHADMN CC(C)c1cccc(CN2CCN(C)c3ncccc3C2)c1 ZINC001237459707 1131101253 /nfs/dbraw/zinc/10/12/53/1131101253.db2.gz TYRHPXGIPUIRFR-UHFFFAOYSA-N 0 1 295.430 3.657 20 0 CHADMN Oc1cccc(F)c1-c1cc(-c2cccs2)ncn1 ZINC001245652366 1131103341 /nfs/dbraw/zinc/10/33/41/1131103341.db2.gz BOVOHKGTOXLZNB-UHFFFAOYSA-N 0 1 272.304 3.717 20 0 CHADMN Cc1ncc(CN2C[C@@H](C)C[C@H](C)C2)cc1Br ZINC001237561385 1131114518 /nfs/dbraw/zinc/11/45/18/1131114518.db2.gz LJKPCJSAANAHFJ-QWRGUYRKSA-N 0 1 297.240 3.630 20 0 CHADMN CC(=O)[C@@H]1CCCN(Cc2cccc(-c3ccccc3)n2)C1 ZINC001237546409 1131114805 /nfs/dbraw/zinc/11/48/05/1131114805.db2.gz JSMVVQRMPIZEFB-QGZVFWFLSA-N 0 1 294.398 3.550 20 0 CHADMN Cc1c(CN2CCO[C@H](C)C2)cccc1-c1ccccc1 ZINC001237581540 1131115693 /nfs/dbraw/zinc/11/56/93/1131115693.db2.gz PKQQESCUTMNDSX-OAHLLOKOSA-N 0 1 281.399 3.883 20 0 CHADMN CCCC1CCN(Cc2c(F)c(OC)ccc2OC)CC1 ZINC001237573514 1131116375 /nfs/dbraw/zinc/11/63/75/1131116375.db2.gz ZTQVPBKCOCTPCN-UHFFFAOYSA-N 0 1 295.398 3.855 20 0 CHADMN CC1(F)CCN(Cc2ccc3ncnc(Cl)c3c2)CC1 ZINC001237587067 1131117033 /nfs/dbraw/zinc/11/70/33/1131117033.db2.gz BGETZQWKSOYLPR-UHFFFAOYSA-N 0 1 293.773 3.607 20 0 CHADMN Cc1ccc2nc(CN3CC[C@@H]4CCCC[C@@H]4C3)cn2c1 ZINC001115858170 1131121500 /nfs/dbraw/zinc/12/15/00/1131121500.db2.gz IBKFIZPTUZOJEH-JKSUJKDBSA-N 0 1 283.419 3.655 20 0 CHADMN CCOc1ccc(CN2CCC(SC)CC2)c(F)c1 ZINC001237635725 1131122101 /nfs/dbraw/zinc/12/21/01/1131122101.db2.gz WDUJTGNPXFFTKO-UHFFFAOYSA-N 0 1 283.412 3.552 20 0 CHADMN CC(C)CCc1noc(CN2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC001115897211 1131122274 /nfs/dbraw/zinc/12/22/74/1131122274.db2.gz WKTKANXNZVBAHJ-LSDHHAIUSA-N 0 1 291.439 3.670 20 0 CHADMN CCc1[nH]ncc1CN(C)Cc1cccc(Cl)c1Cl ZINC001237650805 1131123936 /nfs/dbraw/zinc/12/39/36/1131123936.db2.gz IYGMGCWXBSMFRE-UHFFFAOYSA-N 0 1 298.217 3.911 20 0 CHADMN CCc1n[nH]cc1CN(Cc1cccc(C)c1C)C1CC1 ZINC001237656815 1131125895 /nfs/dbraw/zinc/12/58/95/1131125895.db2.gz VIFMKGHYHFSXCQ-UHFFFAOYSA-N 0 1 283.419 3.754 20 0 CHADMN CC(C)c1ncc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)[nH]1 ZINC001116062924 1131126763 /nfs/dbraw/zinc/12/67/63/1131126763.db2.gz SSJMAATZWDVPFA-LLVKDONJSA-N 0 1 289.354 3.505 20 0 CHADMN CC[C@H]1COCCN1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001237667410 1131127211 /nfs/dbraw/zinc/12/72/11/1131127211.db2.gz ZEWCYBBKAVZCSO-SFHVURJKSA-N 0 1 297.398 3.670 20 0 CHADMN Cc1cc(C)c(Cl)c(CN2CC[C@H]3CCCO[C@H]3C2)c1 ZINC001237698808 1131128574 /nfs/dbraw/zinc/12/85/74/1131128574.db2.gz QVSXXPFRMKVTKO-ZBFHGGJFSA-N 0 1 293.838 3.958 20 0 CHADMN Cc1cc(C)c(Cl)c(CN2CC[C@@H]3CCCO[C@H]3C2)c1 ZINC001237698806 1131128822 /nfs/dbraw/zinc/12/88/22/1131128822.db2.gz QVSXXPFRMKVTKO-HOCLYGCPSA-N 0 1 293.838 3.958 20 0 CHADMN COc1cccc(CN(C)C2CC(C)C2)c1Br ZINC001237856109 1131145527 /nfs/dbraw/zinc/14/55/27/1131145527.db2.gz ASRSSKGDGNSPLI-UHFFFAOYSA-N 0 1 298.224 3.688 20 0 CHADMN CC[N@@H+](CCn1ccnc1)Cc1cc(C)cc(C)c1Cl ZINC001237700461 1131129960 /nfs/dbraw/zinc/12/99/60/1131129960.db2.gz DFQFYQSKBCOSIU-UHFFFAOYSA-N 0 1 291.826 3.675 20 0 CHADMN CS[C@H]1CC[C@H](N(C)Cn2ccn(C(C)C)c2=S)C1 ZINC001116151361 1131130574 /nfs/dbraw/zinc/13/05/74/1131130574.db2.gz CCDUGECOPFUBIK-STQMWFEESA-N 0 1 299.509 3.773 20 0 CHADMN Cc1cc(CN2CCCC[C@@H](O)C2)c(Cl)cc1Cl ZINC001237703236 1131130685 /nfs/dbraw/zinc/13/06/85/1131130685.db2.gz ZWKXOKGFWHDTSW-GFCCVEGCSA-N 0 1 288.218 3.649 20 0 CHADMN Cc1cccc(CN(C)Cc2cccc3c2OCC3)c1 ZINC001237740531 1131136051 /nfs/dbraw/zinc/13/60/51/1131136051.db2.gz BNDXZTLMDZHJRV-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN Clc1cccc(-c2cc(CN3CCC[C@@H]4C[C@@H]43)on2)c1 ZINC001237779562 1131139504 /nfs/dbraw/zinc/13/95/04/1131139504.db2.gz VSIACRXKCKODLQ-WBMJQRKESA-N 0 1 288.778 3.979 20 0 CHADMN Cc1cc(CN2C[C@@H]3CCCC[C@@]32c2ccccc2)nn1C ZINC001116303524 1131139503 /nfs/dbraw/zinc/13/95/03/1131139503.db2.gz XVFDJAWEQLEMIC-PKOBYXMFSA-N 0 1 295.430 3.630 20 0 CHADMN COc1ccc(CN2CCCCCCC2)c(Cl)n1 ZINC001237797161 1131141466 /nfs/dbraw/zinc/14/14/66/1131141466.db2.gz FRXJUOLAZNNBQU-UHFFFAOYSA-N 0 1 268.788 3.510 20 0 CHADMN CCc1ncc(C[N@@H+](C)CCc2cccc(C)c2)s1 ZINC001237827123 1131144451 /nfs/dbraw/zinc/14/44/51/1131144451.db2.gz PNSFXFGQQKHXRO-UHFFFAOYSA-N 0 1 274.433 3.688 20 0 CHADMN COc1ccoc1CN1CCC[C@@H]1c1cccc(C)c1 ZINC001237862464 1131145101 /nfs/dbraw/zinc/14/51/01/1131145101.db2.gz BRSLGIYMGLYGDI-OAHLLOKOSA-N 0 1 271.360 3.934 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@@](C)(CCc3ccccc3)C2)n[nH]1 ZINC001116446149 1131146914 /nfs/dbraw/zinc/14/69/14/1131146914.db2.gz YLJFXNPXYBUPPG-GOSISDBHSA-N 0 1 283.419 3.563 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC001237875228 1131147613 /nfs/dbraw/zinc/14/76/13/1131147613.db2.gz PETFPYRORVPFOB-CHWSQXEVSA-N 0 1 287.407 3.639 20 0 CHADMN CN(Cc1ccc(F)c(Br)c1F)CC1CC1 ZINC001238078824 1131167925 /nfs/dbraw/zinc/16/79/25/1131167925.db2.gz SCVZZLMNYSHOFG-UHFFFAOYSA-N 0 1 290.151 3.569 20 0 CHADMN Cc1ccc(NC(=O)c2ccc3cncn3c2C)c(C)c1 ZINC001116486621 1131149934 /nfs/dbraw/zinc/14/99/34/1131149934.db2.gz JUIZGCLJVJSBHA-UHFFFAOYSA-N 0 1 279.343 3.512 20 0 CHADMN CCC[N@H+](Cc1nc(=O)c2sccc2[n-]1)C[C@H](C)CC ZINC001116490696 1131150323 /nfs/dbraw/zinc/15/03/23/1131150323.db2.gz PKSPKOXPNYJVLX-LLVKDONJSA-N 0 1 293.436 3.655 20 0 CHADMN CS[C@H]1CC[C@@H](N(C)Cc2ncc(C(C)C)s2)C1 ZINC001116576145 1131156240 /nfs/dbraw/zinc/15/62/40/1131156240.db2.gz PVGDNLKCTQMNQG-NEPJUHHUSA-N 0 1 284.494 3.982 20 0 CHADMN Cc1c(C(=O)NCCC2=CCCCCC2)ccc2cncn21 ZINC001116607227 1131156888 /nfs/dbraw/zinc/15/68/88/1131156888.db2.gz JRZCHANXZQSTDX-UHFFFAOYSA-N 0 1 297.402 3.653 20 0 CHADMN CCCCC[C@@H](C)Cc1nc([C@@H]2CN3CCC2CC3)no1 ZINC001116610259 1131157194 /nfs/dbraw/zinc/15/71/94/1131157194.db2.gz RXUWWQLRZIBJJX-UKRRQHHQSA-N 0 1 291.439 3.638 20 0 CHADMN CC1(C)CCC[N@H+]1Cc1cc(F)c([O-])c(Cl)c1 ZINC001237984039 1131157702 /nfs/dbraw/zinc/15/77/02/1131157702.db2.gz LDEKYAZAVPXQGP-UHFFFAOYSA-N 0 1 257.736 3.559 20 0 CHADMN Cc1cc(Cl)ccc1OC(=O)[C@H]1CC[C@@H]2CCCCN12 ZINC001135911384 1131158022 /nfs/dbraw/zinc/15/80/22/1131158022.db2.gz GAJKOFMOVZJTKS-UONOGXRCSA-N 0 1 293.794 3.571 20 0 CHADMN C[C@H]1CCCCN1Cc1csc(-c2ccc(O)cc2)n1 ZINC001237978772 1131158480 /nfs/dbraw/zinc/15/84/80/1131158480.db2.gz ZQJYYKJERDMQPV-LBPRGKRZSA-N 0 1 288.416 3.890 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)cc1Cl ZINC001237984068 1131158639 /nfs/dbraw/zinc/15/86/39/1131158639.db2.gz LGYYVFJFDOLWEQ-VXGBXAGGSA-N 0 1 283.774 3.807 20 0 CHADMN [O-]c1c(F)cc(C[NH+]2CC3(C2)CCCC3)cc1Cl ZINC001237985349 1131158813 /nfs/dbraw/zinc/15/88/13/1131158813.db2.gz VQYIHYPSQXCCHL-UHFFFAOYSA-N 0 1 269.747 3.561 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2cc(F)c([O-])c(Cl)c2)C1 ZINC001237994551 1131160520 /nfs/dbraw/zinc/16/05/20/1131160520.db2.gz FDIZKSCIJMORQZ-SNVBAGLBSA-N 0 1 271.763 3.807 20 0 CHADMN CN(Cc1ccc2c(c1)COC2)Cc1cc(F)cc(F)c1 ZINC001116805788 1131164381 /nfs/dbraw/zinc/16/43/81/1131164381.db2.gz VFQKUXUZKUKAOV-UHFFFAOYSA-N 0 1 289.325 3.627 20 0 CHADMN COc1ccc(C(F)(F)F)c(CN2C3CCC2CC3)c1 ZINC001238059449 1131166981 /nfs/dbraw/zinc/16/69/81/1131166981.db2.gz SBNHDOWCNRHBCH-UHFFFAOYSA-N 0 1 285.309 3.841 20 0 CHADMN CCOc1cc(CN2CC(C)(C)OC(C)(C)C2)ccc1C ZINC001238073423 1131168404 /nfs/dbraw/zinc/16/84/04/1131168404.db2.gz FFVZQFJVCWFCLH-UHFFFAOYSA-N 0 1 291.435 3.783 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CC2CCC1CC2 ZINC001116877177 1131168696 /nfs/dbraw/zinc/16/86/96/1131168696.db2.gz MCQHKUXBLVGMPM-UHFFFAOYSA-N 0 1 286.350 3.761 20 0 CHADMN c1cc2cc(Nc3ccc4c[nH]nc4c3)cnc2s1 ZINC001159663320 1131169777 /nfs/dbraw/zinc/16/97/77/1131169777.db2.gz VVWLXXQFOWEFFB-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN Cc1nn(C(C)C)cc1CNCc1cccc(C(F)F)c1 ZINC001116914440 1131169759 /nfs/dbraw/zinc/16/97/59/1131169759.db2.gz XWLYBZIGEBGDDD-UHFFFAOYSA-N 0 1 293.361 4.000 20 0 CHADMN Clc1ccc2c(c1)CN(Cc1cccc3cncn31)CC2 ZINC001238104478 1131172714 /nfs/dbraw/zinc/17/27/14/1131172714.db2.gz WGOOWSCGYUJECJ-UHFFFAOYSA-N 0 1 297.789 3.546 20 0 CHADMN Cc1ccc(CC[N@H+](C)Cc2ccc(C(=O)[O-])cc2C)cc1 ZINC001238146814 1131174771 /nfs/dbraw/zinc/17/47/71/1131174771.db2.gz BNFUMWUALUESKU-UHFFFAOYSA-N 0 1 297.398 3.676 20 0 CHADMN CCC1CC[NH+](Cc2cc(Cl)c([O-])cc2F)CC1 ZINC001238147600 1131175247 /nfs/dbraw/zinc/17/52/47/1131175247.db2.gz YKRSYYIKWNUMDO-UHFFFAOYSA-N 0 1 271.763 3.807 20 0 CHADMN Oc1cc(F)c(CN2CCc3ccsc3C2)cc1Cl ZINC001238152389 1131175717 /nfs/dbraw/zinc/17/57/17/1131175717.db2.gz OQMVUEDEBIJKHS-UHFFFAOYSA-N 0 1 297.782 3.805 20 0 CHADMN CCCCCN(CCCCC)Cc1c(N)ccnc1F ZINC001238161282 1131176384 /nfs/dbraw/zinc/17/63/84/1131176384.db2.gz CXIDYSVMQDXZPQ-UHFFFAOYSA-N 0 1 281.419 3.985 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1cncc(C2CC2)c1 ZINC001238195295 1131179237 /nfs/dbraw/zinc/17/92/37/1131179237.db2.gz YGUQVWNAHCCFJP-UHFFFAOYSA-N 0 1 296.414 3.990 20 0 CHADMN CN(Cc1cccc(-c2cc[nH]n2)c1)Cc1ccccc1F ZINC001238202017 1131181047 /nfs/dbraw/zinc/18/10/47/1131181047.db2.gz BWBUFHSEQZOZQW-UHFFFAOYSA-N 0 1 295.361 3.848 20 0 CHADMN Cc1c(Cl)ccc(CN2CC(c3cccnc3)C2)c1C ZINC001238218093 1131183712 /nfs/dbraw/zinc/18/37/12/1131183712.db2.gz IIVLCXXJXZCBOH-UHFFFAOYSA-N 0 1 286.806 3.951 20 0 CHADMN c1csc(-c2cccc(CN3CCC[C@H]4C[C@H]43)n2)c1 ZINC001238218483 1131183889 /nfs/dbraw/zinc/18/38/89/1131183889.db2.gz XOXMCHBHRBVOBB-SWLSCSKDSA-N 0 1 270.401 3.794 20 0 CHADMN Clc1ncc(-c2ccc3nn[nH]c3c2)c(Cl)c1Cl ZINC001245807575 1131185791 /nfs/dbraw/zinc/18/57/91/1131185791.db2.gz OKWMPHRVBRNLRJ-UHFFFAOYSA-N 0 1 299.548 3.980 20 0 CHADMN Clc1ncc(-c2ccc3[nH]nnc3c2)c(Cl)c1Cl ZINC001245807575 1131185795 /nfs/dbraw/zinc/18/57/95/1131185795.db2.gz OKWMPHRVBRNLRJ-UHFFFAOYSA-N 0 1 299.548 3.980 20 0 CHADMN CN(C)c1ncccc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC001117569655 1131188565 /nfs/dbraw/zinc/18/85/65/1131188565.db2.gz QEPSTNQLBDMBHK-QGZVFWFLSA-N 0 1 299.393 3.624 20 0 CHADMN Cc1cc(CN2CCCC2)c(C)cc1Br ZINC001238277383 1131188976 /nfs/dbraw/zinc/18/89/76/1131188976.db2.gz NZCNLSTWXDQWOW-UHFFFAOYSA-N 0 1 268.198 3.662 20 0 CHADMN Cc1cc(CN2C[C@H]3CC[C@@H]2C3)c(F)cc1Cl ZINC001238303286 1131189080 /nfs/dbraw/zinc/18/90/80/1131189080.db2.gz MGQWSDRNSLIYJP-CMPLNLGQSA-N 0 1 253.748 3.772 20 0 CHADMN Cc1cc(CN2CC[C@@]3(C2)CCCOC3)c(F)cc1Cl ZINC001238303744 1131189922 /nfs/dbraw/zinc/18/99/22/1131189922.db2.gz XDHHRCRNSNSEOV-MRXNPFEDSA-N 0 1 297.801 3.790 20 0 CHADMN c1cc(C[N@H+]2Cc3ccccc3C3(CCC3)C2)co1 ZINC001117587031 1131190196 /nfs/dbraw/zinc/19/01/96/1131190196.db2.gz PWHQFNPTLKGELY-UHFFFAOYSA-N 0 1 253.345 3.717 20 0 CHADMN c1cc(CN2Cc3ccccc3C3(CCC3)C2)co1 ZINC001117587031 1131190200 /nfs/dbraw/zinc/19/02/00/1131190200.db2.gz PWHQFNPTLKGELY-UHFFFAOYSA-N 0 1 253.345 3.717 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CCCOC(C)(C)C1 ZINC001238329922 1131190908 /nfs/dbraw/zinc/19/09/08/1131190908.db2.gz TULHZUNJQJGDKT-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CCC(C)(F)CC1 ZINC001238334063 1131191356 /nfs/dbraw/zinc/19/13/56/1131191356.db2.gz YFAAGWHYTJTVJR-UHFFFAOYSA-N 0 1 283.362 3.937 20 0 CHADMN CC(C)c1nc(CNC[C@H](CO)C2CCCCC2)cs1 ZINC001117706467 1131192786 /nfs/dbraw/zinc/19/27/86/1131192786.db2.gz HHFQDJXLZDBBMF-CQSZACIVSA-N 0 1 296.480 3.545 20 0 CHADMN CCN(C)Cc1ccc(F)c(OCc2ccccc2)c1F ZINC001238350021 1131193205 /nfs/dbraw/zinc/19/32/05/1131193205.db2.gz PYTROEPXSAORHV-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN COc1c(Cl)ccc(F)c1CN1CC2CCC1CC2 ZINC001238343899 1131193375 /nfs/dbraw/zinc/19/33/75/1131193375.db2.gz YXSYTPNCMRBATL-UHFFFAOYSA-N 0 1 283.774 3.862 20 0 CHADMN Oc1ccc(F)c(CN2CC[C@@H]3CCCC[C@H]3C2)c1F ZINC001117721011 1131193571 /nfs/dbraw/zinc/19/35/71/1131193571.db2.gz JJYJBDBSVAWNAW-RYUDHWBXSA-N 0 1 281.346 3.683 20 0 CHADMN Oc1ccc(F)c(CN2CC[C@H]3CCCC[C@@H]3C2)c1F ZINC001117721012 1131194114 /nfs/dbraw/zinc/19/41/14/1131194114.db2.gz JJYJBDBSVAWNAW-VXGBXAGGSA-N 0 1 281.346 3.683 20 0 CHADMN CCOc1c(Br)cc(C)cc1CN(C)C1CC1 ZINC001238394646 1131195936 /nfs/dbraw/zinc/19/59/36/1131195936.db2.gz RQYKVFJDCUEZBW-UHFFFAOYSA-N 0 1 298.224 3.750 20 0 CHADMN Cc1cnc(CN(C)C/C=C/c2ccccc2)c(C)c1 ZINC001238439972 1131200624 /nfs/dbraw/zinc/20/06/24/1131200624.db2.gz IUQAPUAPMUHREB-JXMROGBWSA-N 0 1 266.388 3.844 20 0 CHADMN Cc1cnc(CN2Cc3ccccc3C(C)(C)C2)c(C)c1 ZINC001238442817 1131200675 /nfs/dbraw/zinc/20/06/75/1131200675.db2.gz UXGHMRFMIOTYMX-UHFFFAOYSA-N 0 1 280.415 3.992 20 0 CHADMN CO[C@@H]1CCN(Cc2cccc(OC(C)C)c2F)[C@H](C)C1 ZINC001238435089 1131200881 /nfs/dbraw/zinc/20/08/81/1131200881.db2.gz QODULRCJULBKIE-UKRRQHHQSA-N 0 1 295.398 3.612 20 0 CHADMN CCOC1CCN(Cc2ccc(OC(C)C)cc2F)CC1 ZINC001238452059 1131202168 /nfs/dbraw/zinc/20/21/68/1131202168.db2.gz SSQYLXUZUMHMJC-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN CC(C)Oc1ccc(CN2CC[C@H](OC(C)C)C2)c(F)c1 ZINC001238448389 1131202403 /nfs/dbraw/zinc/20/24/03/1131202403.db2.gz FXKDFMFEIJGKTC-INIZCTEOSA-N 0 1 295.398 3.612 20 0 CHADMN CC(C)Oc1cc(CN2CCCCC2)ccc1F ZINC001238461916 1131204659 /nfs/dbraw/zinc/20/46/59/1131204659.db2.gz HRLRBXXFINUFIJ-UHFFFAOYSA-N 0 1 251.345 3.599 20 0 CHADMN CCc1coc(CN[C@H]2CCc3cccc(Cl)c3C2)n1 ZINC001170892581 1131205288 /nfs/dbraw/zinc/20/52/88/1131205288.db2.gz ITMNTKOBOSICJR-ZDUSSCGKSA-N 0 1 290.794 3.538 20 0 CHADMN CC[C@H]1CCCN(Cc2ccc(F)c(F)c2OC)C1 ZINC001238472447 1131205284 /nfs/dbraw/zinc/20/52/84/1131205284.db2.gz LXQURXSQRQYNKU-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN COc1c(CN2CCC[C@@H](C)[C@@H]2C)ccc(F)c1F ZINC001238476986 1131205422 /nfs/dbraw/zinc/20/54/22/1131205422.db2.gz LHIDNWTZBHVGJI-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN COc1c(CN2CCCC[C@H](C)C2)ccc(F)c1F ZINC001238468090 1131205543 /nfs/dbraw/zinc/20/55/43/1131205543.db2.gz YQUUBRCJCMGNEE-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN COc1c(CN2CCC23CCCCC3)ccc(F)c1F ZINC001238467560 1131206424 /nfs/dbraw/zinc/20/64/24/1131206424.db2.gz STECEUAWNZHDMU-UHFFFAOYSA-N 0 1 281.346 3.882 20 0 CHADMN CCCCOc1ncc(CN2CCC(C)(F)CC2)cc1C ZINC001238498914 1131209653 /nfs/dbraw/zinc/20/96/53/1131209653.db2.gz YIJCNOMWCZMVPU-UHFFFAOYSA-N 0 1 294.414 3.893 20 0 CHADMN Nc1ccc(CN2CCC[C@H]2c2cccc(Cl)c2)cn1 ZINC001118179155 1131214363 /nfs/dbraw/zinc/21/43/63/1131214363.db2.gz LXPDTSCBKLGCOX-HNNXBMFYSA-N 0 1 287.794 3.654 20 0 CHADMN CC(C)Oc1cc(CN2CC[C@@H](C)C[C@H]2C)cnc1F ZINC001238599863 1131219250 /nfs/dbraw/zinc/21/92/50/1131219250.db2.gz LZRJNBWDIPKMSX-CHWSQXEVSA-N 0 1 280.387 3.628 20 0 CHADMN CCC1CCN(Cc2c(F)cc(C)cc2OC)CC1 ZINC001238588778 1131219384 /nfs/dbraw/zinc/21/93/84/1131219384.db2.gz OCOLFOJBRLBICI-UHFFFAOYSA-N 0 1 265.372 3.765 20 0 CHADMN CC(C)Oc1cc(CN2CCC[C@H](C)[C@@H]2C)cnc1F ZINC001238591372 1131219846 /nfs/dbraw/zinc/21/98/46/1131219846.db2.gz BCCQSTYSSYLUQC-STQMWFEESA-N 0 1 280.387 3.628 20 0 CHADMN CC(C)Oc1cc(CN2CCC[C@@](C)(F)CC2)cnc1F ZINC001238607467 1131221339 /nfs/dbraw/zinc/22/13/39/1131221339.db2.gz UOXRGXWYZKHMBQ-MRXNPFEDSA-N 0 1 298.377 3.722 20 0 CHADMN Cc1cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cnc1-c1ccccc1 ZINC001238610100 1131221815 /nfs/dbraw/zinc/22/18/15/1131221815.db2.gz VEYJTXXUVVYDSH-BZSNNMDCSA-N 0 1 296.389 3.847 20 0 CHADMN COc1cc(CN2CC3(CCC3)C2)c(-c2ccccc2)cn1 ZINC001238602966 1131222176 /nfs/dbraw/zinc/22/21/76/1131222176.db2.gz YCDCGAOARBMQEH-UHFFFAOYSA-N 0 1 294.398 3.743 20 0 CHADMN CCCc1ccc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)cc1 ZINC001118505701 1131229296 /nfs/dbraw/zinc/22/92/96/1131229296.db2.gz ICWRJODDHXSIPP-UHFFFAOYSA-N 0 1 277.408 3.572 20 0 CHADMN CC1(C)CO[C@@H](CN2CCc3cccc(Cl)c3C2)C1 ZINC001171006204 1131415489 /nfs/dbraw/zinc/41/54/89/1131415489.db2.gz CVEXRQODEARVSH-CYBMUJFWSA-N 0 1 279.811 3.513 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1ccccc1C(=O)OC ZINC001137791455 1131416539 /nfs/dbraw/zinc/41/65/39/1131416539.db2.gz FVVWXOQZDHVFAC-UHFFFAOYSA-N 0 1 297.398 3.804 20 0 CHADMN CCCN(Cc1nc(Br)cs1)CC(C)C ZINC001137782237 1131416608 /nfs/dbraw/zinc/41/66/08/1131416608.db2.gz IKFFCIRBNZTGDS-UHFFFAOYSA-N 0 1 291.258 3.774 20 0 CHADMN CCc1ccc(CN(C)Cc2ccccc2C(=O)OC)cc1 ZINC001137790126 1131416751 /nfs/dbraw/zinc/41/67/51/1131416751.db2.gz AOWOGLYMYPCOQF-UHFFFAOYSA-N 0 1 297.398 3.668 20 0 CHADMN Clc1ncsc1CN1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001137824992 1131419376 /nfs/dbraw/zinc/41/93/76/1131419376.db2.gz SEQSISPVJDYVTQ-PHIMTYICSA-N 0 1 290.819 3.883 20 0 CHADMN O=C(c1cccc(F)c1O)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000829509047 1131422566 /nfs/dbraw/zinc/42/25/66/1131422566.db2.gz MBIXUXFZVSIGCM-ZBEGNZNMSA-N 0 1 297.329 3.606 20 0 CHADMN CCSc1ccc(Cl)cc1NC(=O)c1[nH]cnc1C ZINC001136718050 1131423901 /nfs/dbraw/zinc/42/39/01/1131423901.db2.gz IIBPCKXOEPMYPN-UHFFFAOYSA-N 0 1 295.795 3.736 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1cc(F)ncc1F ZINC000823459391 1131428005 /nfs/dbraw/zinc/42/80/05/1131428005.db2.gz STNSLLATURQSNK-OCCSQVGLSA-N 0 1 288.341 3.738 20 0 CHADMN CC[C@@H]1CCCCCN1Cc1cc(F)ncc1F ZINC000823459138 1131428043 /nfs/dbraw/zinc/42/80/43/1131428043.db2.gz PWUKRDPGYIEMBM-GFCCVEGCSA-N 0 1 254.324 3.514 20 0 CHADMN CN(CCc1cccc(F)c1)Cc1cc(F)c(F)cc1F ZINC001137893159 1131430774 /nfs/dbraw/zinc/43/07/74/1131430774.db2.gz HJFWDCUDFJVSOP-UHFFFAOYSA-N 0 1 297.295 3.918 20 0 CHADMN Cn1nc(C2CC2)cc1CN[C@H]1CCSc2ccccc21 ZINC000823579858 1131432522 /nfs/dbraw/zinc/43/25/22/1131432522.db2.gz WXRVJELRWXRFSX-HNNXBMFYSA-N 0 1 299.443 3.624 20 0 CHADMN CCCN(Cc1c(F)ccc(F)c1F)CC1CC1 ZINC001137925647 1131436728 /nfs/dbraw/zinc/43/67/28/1131436728.db2.gz RSWCOJDBZKLQDN-UHFFFAOYSA-N 0 1 257.299 3.726 20 0 CHADMN Fc1ccc(F)c(CN2C[C@@H]3CCCC[C@@H]3C2)c1F ZINC001137927036 1131437324 /nfs/dbraw/zinc/43/73/24/1131437324.db2.gz KZPNOFANTNEBPB-PHIMTYICSA-N 0 1 269.310 3.726 20 0 CHADMN CCCCC[C@H](NCc1ccnc(OC)n1)c1ccccc1 ZINC000823777854 1131441839 /nfs/dbraw/zinc/44/18/39/1131441839.db2.gz INJSDBUKQUJEML-KRWDZBQOSA-N 0 1 299.418 3.896 20 0 CHADMN CN(CCc1cccnc1)Cc1cccc(Cl)c1F ZINC001137961360 1131442656 /nfs/dbraw/zinc/44/26/56/1131442656.db2.gz FQLVBFFMSMIKOI-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN Fc1ccc(F)c(CN2C[C@@H]3CCC[C@H]3C2)c1Cl ZINC001137999449 1131449168 /nfs/dbraw/zinc/44/91/68/1131449168.db2.gz IINSIHXXWRQVRZ-UWVGGRQHSA-N 0 1 271.738 3.850 20 0 CHADMN Cn1nc(C2CC2)cc1CN[C@@H]1CCCc2ccc(F)cc21 ZINC000824074604 1131454710 /nfs/dbraw/zinc/45/47/10/1131454710.db2.gz VNJQKSVJWJUSQB-QGZVFWFLSA-N 0 1 299.393 3.604 20 0 CHADMN C[C@H](C(=O)OC(C)(C)C)N(CC1CC(C)(C)C1)C1CC1 ZINC001171046935 1131456319 /nfs/dbraw/zinc/45/63/19/1131456319.db2.gz AVYZQJUBGNVMPX-GFCCVEGCSA-N 0 1 281.440 3.617 20 0 CHADMN C[C@@]1(F)CCN(Cc2ccc(O)c3ccccc23)C[C@@H]1F ZINC001138054659 1131459160 /nfs/dbraw/zinc/45/91/60/1131459160.db2.gz OFHHPUHBBYBESH-DLBZAZTESA-N 0 1 291.341 3.817 20 0 CHADMN Oc1ccc(CN2CC3(C2)CC(F)(F)C3)c2ccccc12 ZINC001138055274 1131459327 /nfs/dbraw/zinc/45/93/27/1131459327.db2.gz ZYNOGDGMPDUPHF-UHFFFAOYSA-N 0 1 289.325 3.777 20 0 CHADMN Clc1cccc2c1CC[C@@H](N1Cc3ccncc3C1)C2 ZINC001171050919 1131459920 /nfs/dbraw/zinc/45/99/20/1131459920.db2.gz UCDRXPVIUCALSK-OAHLLOKOSA-N 0 1 284.790 3.608 20 0 CHADMN CC(C)(CC(F)(F)F)NCc1ccnc(Cl)c1F ZINC000824237619 1131460793 /nfs/dbraw/zinc/46/07/93/1131460793.db2.gz SPGBVYWCFAAENV-UHFFFAOYSA-N 0 1 284.684 3.695 20 0 CHADMN COC[C@@H]1CCCCN1Cc1cc2c(cccc2Cl)[nH]1 ZINC001136858366 1131463908 /nfs/dbraw/zinc/46/39/08/1131463908.db2.gz RRCVACIZTSICDM-ZDUSSCGKSA-N 0 1 292.810 3.822 20 0 CHADMN Clc1cccc2[nH]c(CN3CCC[C@]34CCOC4)cc21 ZINC001136863754 1131465398 /nfs/dbraw/zinc/46/53/98/1131465398.db2.gz PNJQVWBQMJUFGS-MRXNPFEDSA-N 0 1 290.794 3.576 20 0 CHADMN COC1(C)CCN(Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001136856897 1131465716 /nfs/dbraw/zinc/46/57/16/1131465716.db2.gz URRMODNFGRNGOG-UHFFFAOYSA-N 0 1 292.810 3.822 20 0 CHADMN Fc1c(CNc2cc3c(cn2)CCCC3)ccnc1Cl ZINC000824423610 1131468579 /nfs/dbraw/zinc/46/85/79/1131468579.db2.gz REYHIPIZGOTCKN-UHFFFAOYSA-N 0 1 291.757 3.760 20 0 CHADMN CS[C@@H]1CCN(Cc2cc3ccccc3c(Cl)n2)C1 ZINC000830888593 1131471092 /nfs/dbraw/zinc/47/10/92/1131471092.db2.gz HFAYZAJVJYRGQC-CYBMUJFWSA-N 0 1 292.835 3.826 20 0 CHADMN Cc1ccn2c(CN3CCC[C@H]4CCCC[C@H]43)cnc2c1 ZINC001136890358 1131472741 /nfs/dbraw/zinc/47/27/41/1131472741.db2.gz ZJARWSZAOZDAPW-NVXWUHKLSA-N 0 1 283.419 3.797 20 0 CHADMN CCN(Cc1c[nH]nc1-c1cccs1)Cc1cccnc1 ZINC001138156301 1131472963 /nfs/dbraw/zinc/47/29/63/1131472963.db2.gz KMDZIZBRFILSTC-UHFFFAOYSA-N 0 1 298.415 3.555 20 0 CHADMN CC(C)(C)c1nnc(CN2CCCC[C@@H]2C2CCC2)o1 ZINC000830988724 1131474735 /nfs/dbraw/zinc/47/47/35/1131474735.db2.gz ODCVKWHICCAGAB-CYBMUJFWSA-N 0 1 277.412 3.522 20 0 CHADMN FC(F)C1CCN(Cc2ccc(N3CCCCC3)o2)CC1 ZINC001138177106 1131475673 /nfs/dbraw/zinc/47/56/73/1131475673.db2.gz GNAIXGIEAJKDTN-UHFFFAOYSA-N 0 1 298.377 3.747 20 0 CHADMN C[C@@]12CN(Cc3ccnc(Cl)c3F)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000824701867 1131480019 /nfs/dbraw/zinc/48/00/19/1131480019.db2.gz DDIPVJXQKWQWBB-HBCZOZSTSA-N 0 1 292.785 3.518 20 0 CHADMN Cc1cc(CN(C)[C@@H](CO)c2ccc(Cl)cc2)c(C)o1 ZINC000824690603 1131480063 /nfs/dbraw/zinc/48/00/63/1131480063.db2.gz IKGKZLQPBDQVMZ-INIZCTEOSA-N 0 1 293.794 3.715 20 0 CHADMN F[C@H]1CCC2(C1)CCN(Cc1ccc(Cl)cn1)CC2 ZINC001136931552 1131481848 /nfs/dbraw/zinc/48/18/48/1131481848.db2.gz GXIGMYAMFGJZPX-ZDUSSCGKSA-N 0 1 282.790 3.839 20 0 CHADMN F[C@@H]1CCC2(C1)CCN(Cc1ccc(Cl)cn1)CC2 ZINC001136931551 1131481924 /nfs/dbraw/zinc/48/19/24/1131481924.db2.gz GXIGMYAMFGJZPX-CYBMUJFWSA-N 0 1 282.790 3.839 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2ccc(OCC(F)F)cc2)C1 ZINC001136935742 1131483744 /nfs/dbraw/zinc/48/37/44/1131483744.db2.gz QOHJDQJOVNYZSE-AAEUAGOBSA-N 0 1 287.325 3.510 20 0 CHADMN Cc1cc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)cc(Cl)n1 ZINC000824942399 1131490527 /nfs/dbraw/zinc/49/05/27/1131490527.db2.gz ZDAXYORUBWEYIW-GOEBONIOSA-N 0 1 276.811 3.664 20 0 CHADMN COc1cccc(F)c1CN1CC[C@@H](C)C(F)(F)CC1 ZINC001138379994 1131495889 /nfs/dbraw/zinc/49/58/89/1131495889.db2.gz MTSYBGSAWSFIEU-LLVKDONJSA-N 0 1 287.325 3.702 20 0 CHADMN CCc1nc(CNCCc2ccc(C(C)(C)C)cc2)co1 ZINC000825062135 1131497800 /nfs/dbraw/zinc/49/78/00/1131497800.db2.gz PXOGLUMSWIJPOG-UHFFFAOYSA-N 0 1 286.419 3.867 20 0 CHADMN Fc1cccc2[nH]cc(CN3CCCCC34CC4)c21 ZINC001136985407 1131498021 /nfs/dbraw/zinc/49/80/21/1131498021.db2.gz FVRQGLKJRFHLEU-UHFFFAOYSA-N 0 1 258.340 3.826 20 0 CHADMN FC(F)(F)c1cccc(C2CN(Cc3ccoc3)C2)c1 ZINC000825124782 1131500314 /nfs/dbraw/zinc/50/03/14/1131500314.db2.gz YDBMKSVXUUVOOH-UHFFFAOYSA-N 0 1 281.277 3.898 20 0 CHADMN COc1c(C)cc(CN2CCc3sccc3C2)cc1C ZINC001138428191 1131503999 /nfs/dbraw/zinc/50/39/99/1131503999.db2.gz GVCBAPRLHJMLPK-UHFFFAOYSA-N 0 1 287.428 3.932 20 0 CHADMN COc1c(Cl)cc(CN2CC[C@H](C)C2)cc1Cl ZINC001138473035 1131509749 /nfs/dbraw/zinc/50/97/49/1131509749.db2.gz MPWSHMMLOZQNOH-VIFPVBQESA-N 0 1 274.191 3.844 20 0 CHADMN COc1ccc2[nH]cc(CN(Cc3ccco3)C3CC3)c2c1 ZINC001138509336 1131514850 /nfs/dbraw/zinc/51/48/50/1131514850.db2.gz BDOZJECIDYFUTK-UHFFFAOYSA-N 0 1 296.370 3.934 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)CN2C3CCC2CC3)cc1 ZINC000843515136 1131514891 /nfs/dbraw/zinc/51/48/91/1131514891.db2.gz ZLPFXYXLIAGAGY-NVPAJSRCSA-N 0 1 286.419 3.765 20 0 CHADMN CCCCCN(C)Cc1cccnc1NC(=O)C(C)(C)C ZINC001138538485 1131517949 /nfs/dbraw/zinc/51/79/49/1131517949.db2.gz IQTMMVHYDCEAME-UHFFFAOYSA-N 0 1 291.439 3.688 20 0 CHADMN CC(C)c1cc([C@@H]2CCCN(C(=O)[C@@H](C)C(C)C)C2)n[nH]1 ZINC000831904588 1131519159 /nfs/dbraw/zinc/51/91/59/1131519159.db2.gz FMHISLHUFXZJSR-UONOGXRCSA-N 0 1 291.439 3.531 20 0 CHADMN CC(C)c1noc([C@H](C)N2CCCCCCCC2)n1 ZINC000831926452 1131521182 /nfs/dbraw/zinc/52/11/82/1131521182.db2.gz NDUOPORCKBQFGL-ZDUSSCGKSA-N 0 1 265.401 3.910 20 0 CHADMN Cc1nnc([C@@H](C)N2CCCCCCCC2)s1 ZINC000831937531 1131521824 /nfs/dbraw/zinc/52/18/24/1131521824.db2.gz UFYYQLJEMJLDSA-LLVKDONJSA-N 0 1 253.415 3.564 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1cc(C)sc1C)C2 ZINC001138567222 1131522284 /nfs/dbraw/zinc/52/22/84/1131522284.db2.gz VRWUFQBMYKJYTH-UHFFFAOYSA-N 0 1 287.428 3.932 20 0 CHADMN CC(C)(C)c1n[nH]cc1CN1CCCC[C@H]1c1cccnc1 ZINC001138579634 1131523798 /nfs/dbraw/zinc/52/37/98/1131523798.db2.gz SWRALAJXSCAJNL-INIZCTEOSA-N 0 1 298.434 3.829 20 0 CHADMN Cc1ccc(CN(C)Cc2c[nH]nc2C(C)(C)C)cc1C ZINC001138580369 1131523952 /nfs/dbraw/zinc/52/39/52/1131523952.db2.gz CDLPBLHPZKOUAK-UHFFFAOYSA-N 0 1 285.435 3.956 20 0 CHADMN FC(F)(F)c1ccc(CN2CCCC2)c(Cl)c1 ZINC001143706870 1131525563 /nfs/dbraw/zinc/52/55/63/1131525563.db2.gz RECRMQADGIIMFK-UHFFFAOYSA-N 0 1 263.690 3.955 20 0 CHADMN Fc1ccccc1-n1cccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001138637230 1131531201 /nfs/dbraw/zinc/53/12/01/1131531201.db2.gz XGHHSGDNRMPHSJ-DYVFJYSZSA-N 0 1 270.351 3.601 20 0 CHADMN CCCn1ncc(CN2Cc3ccccc3C(C)(C)C2)c1C ZINC001138640429 1131532160 /nfs/dbraw/zinc/53/21/60/1131532160.db2.gz QDHUNRBRAUQOLQ-UHFFFAOYSA-N 0 1 297.446 3.895 20 0 CHADMN CC(=O)C1CCN(Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001138688195 1131536866 /nfs/dbraw/zinc/53/68/66/1131536866.db2.gz UHVYQJNNDBWECI-UHFFFAOYSA-N 0 1 290.794 3.622 20 0 CHADMN COc1cc(C)c(CN2CC3(C2)CC(F)(F)C3)c(C)c1C ZINC001138723097 1131541552 /nfs/dbraw/zinc/54/15/52/1131541552.db2.gz FDQIPTAQXQSILC-UHFFFAOYSA-N 0 1 295.373 3.852 20 0 CHADMN COc1cc(C)c(CN2CCC[C@H](F)C2)c(C)c1C ZINC001138725281 1131542180 /nfs/dbraw/zinc/54/21/80/1131542180.db2.gz SPGJOUNEOIKQQS-AWEZNQCLSA-N 0 1 265.372 3.554 20 0 CHADMN COc1cc(C)c(CN2CCCC[C@@H]2C(C)=O)c(C)c1C ZINC001138724486 1131542361 /nfs/dbraw/zinc/54/23/61/1131542361.db2.gz HDAUSCAVSKGBOW-QGZVFWFLSA-N 0 1 289.419 3.564 20 0 CHADMN COc1cc(C)c(CN2CC[C@](C)(F)[C@H](F)C2)c(C)c1C ZINC001138725591 1131542745 /nfs/dbraw/zinc/54/27/45/1131542745.db2.gz KQMMFSMWDMPQDH-SJORKVTESA-N 0 1 297.389 3.892 20 0 CHADMN COc1cc(C)c(CN2CC[C@@H](C)[C@H](F)C2)c(C)c1C ZINC001138725823 1131542893 /nfs/dbraw/zinc/54/28/93/1131542893.db2.gz QKSYKTHZSHFEQJ-BDJLRTHQSA-N 0 1 279.399 3.800 20 0 CHADMN COc1cc(Cl)cc(CN2CCC3(CCC3)C2)c1OC ZINC001138746274 1131544369 /nfs/dbraw/zinc/54/43/69/1131544369.db2.gz WGODGHFHZBPZEK-UHFFFAOYSA-N 0 1 295.810 3.733 20 0 CHADMN CCC1CCN(Cc2cc(Cl)cc(OC)c2OC)CC1 ZINC001138742740 1131544474 /nfs/dbraw/zinc/54/44/74/1131544474.db2.gz YVDHJOAJRXVKDZ-UHFFFAOYSA-N 0 1 297.826 3.979 20 0 CHADMN COc1cc(Cl)cc(CN2CC[C@@H](C)C[C@@H]2C)c1OC ZINC001138746366 1131544604 /nfs/dbraw/zinc/54/46/04/1131544604.db2.gz ZQURHOLLJZGVIT-NEPJUHHUSA-N 0 1 297.826 3.978 20 0 CHADMN O[C@H](CN1CCC12CCCC2)c1ccccc1C(F)(F)F ZINC000844275712 1131545783 /nfs/dbraw/zinc/54/57/83/1131545783.db2.gz GFPHSHILFMTHBW-CQSZACIVSA-N 0 1 299.336 3.757 20 0 CHADMN O[C@H](CN1CC2(CCC2)[C@@H]1c1ccco1)c1ccccc1 ZINC000832226733 1131548594 /nfs/dbraw/zinc/54/85/94/1131548594.db2.gz YLTSWHYSPVHATA-WBVHZDCISA-N 0 1 283.371 3.540 20 0 CHADMN COc1ccc(Cl)c(CN2C[C@H](C)C[C@@H](C)C2)c1F ZINC001143897862 1131549619 /nfs/dbraw/zinc/54/96/19/1131549619.db2.gz JKDLEFYLQZPQAB-GHMZBOCLSA-N 0 1 285.790 3.966 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)N(Cc2cc3n(n2)CCCC3)C1 ZINC000844329628 1131549944 /nfs/dbraw/zinc/54/99/44/1131549944.db2.gz IXNVJOYOJMWUQE-DNVCBOLYSA-N 0 1 295.430 3.803 20 0 CHADMN O[C@@H](CCN1CC2(CCC2)[C@@H]1c1ccco1)c1ccccc1 ZINC000832237680 1131549962 /nfs/dbraw/zinc/54/99/62/1131549962.db2.gz VQLTWYWAFSIYBT-WMZOPIPTSA-N 0 1 297.398 3.930 20 0 CHADMN CN(CCc1ccc(Cl)cc1)Cc1cccnc1F ZINC001138788039 1131550255 /nfs/dbraw/zinc/55/02/55/1131550255.db2.gz RJZAXAFDLNSOQJ-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN COc1ccc(CN2CCCC[C@H](C)C2)c(F)c1F ZINC001143903919 1131551163 /nfs/dbraw/zinc/55/11/63/1131551163.db2.gz JMACOXKUFNNBMZ-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN Cc1oncc1CN(C)[C@H](C)CSc1ccccc1 ZINC000844361947 1131554600 /nfs/dbraw/zinc/55/46/00/1131554600.db2.gz VVJMQJKTBWCPME-GFCCVEGCSA-N 0 1 276.405 3.596 20 0 CHADMN CC[C@@H]1CO[C@@H](CC)CN1Cc1cncc2ccccc21 ZINC000844386367 1131555951 /nfs/dbraw/zinc/55/59/51/1131555951.db2.gz MQQAIEWTCOBXOT-SJORKVTESA-N 0 1 284.403 3.624 20 0 CHADMN CC[C@@H]1CN(Cc2cncc3ccccc32)[C@@H](CC)CO1 ZINC000844386364 1131556181 /nfs/dbraw/zinc/55/61/81/1131556181.db2.gz MQQAIEWTCOBXOT-DLBZAZTESA-N 0 1 284.403 3.624 20 0 CHADMN CC[C@H](NCc1ccnc(N(C)C)c1)c1ccccc1F ZINC000844394385 1131556872 /nfs/dbraw/zinc/55/68/72/1131556872.db2.gz TYHWWWOHMCRTLR-INIZCTEOSA-N 0 1 287.382 3.528 20 0 CHADMN CCOc1ccc(F)c(CN2CCC[C@H](CC)C2)c1F ZINC001143942149 1131557007 /nfs/dbraw/zinc/55/70/07/1131557007.db2.gz HPSPSTVTWXCYFA-LBPRGKRZSA-N 0 1 283.362 3.986 20 0 CHADMN Fc1ccc(Cl)c(CN2C[C@@H]3CCC[C@H]3C2)c1F ZINC001143946676 1131557942 /nfs/dbraw/zinc/55/79/42/1131557942.db2.gz UNOATSVQGGUNGX-UWVGGRQHSA-N 0 1 271.738 3.850 20 0 CHADMN CCOc1ccc(F)c(CN2CCCC[C@H](C)C2)c1F ZINC001143930335 1131558031 /nfs/dbraw/zinc/55/80/31/1131558031.db2.gz GXDSVPBKLFODEE-LBPRGKRZSA-N 0 1 283.362 3.986 20 0 CHADMN CCOc1ccc(F)c(CN2CC[C@H]3CCC[C@@H]3C2)c1F ZINC001143931215 1131558257 /nfs/dbraw/zinc/55/82/57/1131558257.db2.gz RDCBPJRFQMPKSQ-CHWSQXEVSA-N 0 1 295.373 3.986 20 0 CHADMN CCOc1ccc(F)c(CN2CCC[C@@H]2C(C)C)c1F ZINC001143947390 1131558339 /nfs/dbraw/zinc/55/83/39/1131558339.db2.gz OKHAOVJUUJKIQV-CQSZACIVSA-N 0 1 283.362 3.984 20 0 CHADMN Cc1c(CN2CCC[C@@]3(CCO3)C2)cccc1C(F)(F)F ZINC001143930103 1131558424 /nfs/dbraw/zinc/55/84/24/1131558424.db2.gz LIUAGSCYJXHSNS-OAHLLOKOSA-N 0 1 299.336 3.769 20 0 CHADMN COc1ccc(F)c(CN(C(C)C)C(C)C)c1F ZINC001143970333 1131561056 /nfs/dbraw/zinc/56/10/56/1131561056.db2.gz IADNTBQYNFLKMP-UHFFFAOYSA-N 0 1 257.324 3.592 20 0 CHADMN COc1ccc(F)c(CN(C)CC2CCCC2)c1F ZINC001143980234 1131564902 /nfs/dbraw/zinc/56/49/02/1131564902.db2.gz GEGXFVOBGQMGRE-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN COC[C@H]1CCN(Cc2cc(Cl)ccc2OC(C)C)C1 ZINC001138958529 1131565446 /nfs/dbraw/zinc/56/54/46/1131565446.db2.gz JVQGLLDRMIFQPK-ZDUSSCGKSA-N 0 1 297.826 3.596 20 0 CHADMN CC[C@@H]1CCCN(Cc2c(F)ccc(OC)c2F)C1 ZINC001143980365 1131565839 /nfs/dbraw/zinc/56/58/39/1131565839.db2.gz LOEMPLOWJNOJJQ-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN CC(C)COc1ccc(CN2CC3(CCC3)C2)cc1 ZINC001138967752 1131566335 /nfs/dbraw/zinc/56/63/35/1131566335.db2.gz BXPZFFKBVMEHHO-UHFFFAOYSA-N 0 1 259.393 3.707 20 0 CHADMN CC[C@H]1CCCN(Cc2c(F)ccc(OC)c2F)C1 ZINC001143980366 1131566489 /nfs/dbraw/zinc/56/64/89/1131566489.db2.gz LOEMPLOWJNOJJQ-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CCOc1ccc(CN2C[C@@H](C)C[C@H]2CF)cc1OCC ZINC001138972383 1131567892 /nfs/dbraw/zinc/56/78/92/1131567892.db2.gz NPJQLCOORUTVOP-ZFWWWQNUSA-N 0 1 295.398 3.664 20 0 CHADMN CCc1cccc(NC(=O)Nc2c(O)cc(F)cc2F)c1 ZINC001202885427 1131569974 /nfs/dbraw/zinc/56/99/74/1131569974.db2.gz KIJLUQNJOZXOHA-UHFFFAOYSA-N 0 1 292.285 3.877 20 0 CHADMN CCOc1c(F)cc(CN2CCCC2(C)C)cc1F ZINC001144022374 1131572563 /nfs/dbraw/zinc/57/25/63/1131572563.db2.gz LNUUWNMOQUFCGC-UHFFFAOYSA-N 0 1 269.335 3.738 20 0 CHADMN CCn1ccc2ccc(CN3CC[C@@H](C)[C@H](F)C3)cc21 ZINC001139119335 1131582962 /nfs/dbraw/zinc/58/29/62/1131582962.db2.gz LRFRRAZATYRPJZ-CZUORRHYSA-N 0 1 274.383 3.841 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN[C@@H]1C[C@H]1C1CCC1 ZINC001202901588 1131585594 /nfs/dbraw/zinc/58/55/94/1131585594.db2.gz HIRRTYXMQJUIDX-QWHCGFSZSA-N 0 1 288.416 3.990 20 0 CHADMN CCCCc1nc(Cl)c(C[N@H+]2CCCC2(C)C)[nH]1 ZINC001139176428 1131591703 /nfs/dbraw/zinc/59/17/03/1131591703.db2.gz MUWZLWWQWCBIHZ-UHFFFAOYSA-N 0 1 269.820 3.780 20 0 CHADMN CCCCc1nc(Cl)c(CN2CCCC2(C)C)[nH]1 ZINC001139176428 1131591706 /nfs/dbraw/zinc/59/17/06/1131591706.db2.gz MUWZLWWQWCBIHZ-UHFFFAOYSA-N 0 1 269.820 3.780 20 0 CHADMN Cc1cccc2[nH]cc(CN3CCC(=O)[C@H]4CCCC[C@H]43)c21 ZINC001139191933 1131594395 /nfs/dbraw/zinc/59/43/95/1131594395.db2.gz GMTYZPHTQZEMEH-DOTOQJQBSA-N 0 1 296.414 3.810 20 0 CHADMN Cn1ccc2cc(C[N@H+]3CCc4ccsc4C3)ccc21 ZINC001139190429 1131594406 /nfs/dbraw/zinc/59/44/06/1131594406.db2.gz PPFUOOUDWAKRHV-UHFFFAOYSA-N 0 1 282.412 3.798 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1[nH]nc2ccc(F)cc21 ZINC001144191396 1131595531 /nfs/dbraw/zinc/59/55/31/1131595531.db2.gz LKTUHCYYYMVIBU-GFCCVEGCSA-N 0 1 295.361 3.821 20 0 CHADMN Cn1ccc2ccc(CN3CCC(=O)[C@H]4CCCC[C@H]43)cc21 ZINC001139204235 1131596497 /nfs/dbraw/zinc/59/64/97/1131596497.db2.gz LKEMEHRTDGNGPB-DLBZAZTESA-N 0 1 296.414 3.512 20 0 CHADMN Fc1ccc2n[nH]c(CN3CCC[C@H]4CCCC[C@@H]43)c2c1 ZINC001144199645 1131596585 /nfs/dbraw/zinc/59/65/85/1131596585.db2.gz PVAUMFMIAVOPNZ-PXAZEXFGSA-N 0 1 287.382 3.857 20 0 CHADMN Fc1ccc2[nH]nc(CN3CCC[C@H]4CCCC[C@@H]43)c2c1 ZINC001144199645 1131596589 /nfs/dbraw/zinc/59/65/89/1131596589.db2.gz PVAUMFMIAVOPNZ-PXAZEXFGSA-N 0 1 287.382 3.857 20 0 CHADMN Cn1ccc2ccc(CN3CCc4sccc4C3)cc21 ZINC001139200720 1131596637 /nfs/dbraw/zinc/59/66/37/1131596637.db2.gz DPGDWVFDVLDVNZ-UHFFFAOYSA-N 0 1 282.412 3.798 20 0 CHADMN FC1(F)C[C@]12CCN(Cn1c3ccccc3oc1=S)C2 ZINC000844759404 1131596700 /nfs/dbraw/zinc/59/67/00/1131596700.db2.gz LUEGENRWBOEHIZ-ZDUSSCGKSA-N 0 1 296.342 3.652 20 0 CHADMN C[C@@H]1CCN(Cc2[nH]nc3ccc(F)cc32)CCC1(F)F ZINC001144190751 1131596730 /nfs/dbraw/zinc/59/67/30/1131596730.db2.gz AKGLPOMHGSYXQQ-SNVBAGLBSA-N 0 1 297.324 3.569 20 0 CHADMN C[C@@H]1CCN(Cc2n[nH]c3ccc(F)cc32)CCC1(F)F ZINC001144190751 1131596733 /nfs/dbraw/zinc/59/67/33/1131596733.db2.gz AKGLPOMHGSYXQQ-SNVBAGLBSA-N 0 1 297.324 3.569 20 0 CHADMN CCN(Cc1cccs1)Cc1n[nH]c2ccc(F)cc21 ZINC001144202235 1131599295 /nfs/dbraw/zinc/59/92/95/1131599295.db2.gz JZULQKDCJNVPMK-UHFFFAOYSA-N 0 1 289.379 3.786 20 0 CHADMN CCN(Cc1cccs1)Cc1[nH]nc2ccc(F)cc21 ZINC001144202235 1131599298 /nfs/dbraw/zinc/59/92/98/1131599298.db2.gz JZULQKDCJNVPMK-UHFFFAOYSA-N 0 1 289.379 3.786 20 0 CHADMN Brc1cscc1CN1CCC2(CC2)CC1 ZINC001139346866 1131603179 /nfs/dbraw/zinc/60/31/79/1131603179.db2.gz ARSFIEDPTRHIJU-UHFFFAOYSA-N 0 1 286.238 3.887 20 0 CHADMN Cc1cccc2c1CN(Cc1ccc(-n3ccnc3)cc1)C2 ZINC001139356984 1131604919 /nfs/dbraw/zinc/60/49/19/1131604919.db2.gz WHFXNRPLAAWLBZ-UHFFFAOYSA-N 0 1 289.382 3.697 20 0 CHADMN CCN1CCN(Cc2ccc(-c3ccccc3)s2)CC1 ZINC001139411452 1131606752 /nfs/dbraw/zinc/60/67/52/1131606752.db2.gz MTWAAQCJWZCBGS-UHFFFAOYSA-N 0 1 286.444 3.553 20 0 CHADMN Cc1cc(C)cc([C@@H]2CCC[N@H+]2Cc2ccc(O)cn2)c1 ZINC001144264435 1131607119 /nfs/dbraw/zinc/60/71/19/1131607119.db2.gz VHRDXWFCSAGAGP-SFHVURJKSA-N 0 1 282.387 3.741 20 0 CHADMN Fc1cccc([C@@H]2CCN(Cc3cc(Cl)ccn3)C2)c1 ZINC001139566172 1131616472 /nfs/dbraw/zinc/61/64/72/1131616472.db2.gz SVXOEMMXDPFPOU-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN CCc1cccc(CN(C)Cc2ccccc2OC)c1 ZINC001144323231 1131617343 /nfs/dbraw/zinc/61/73/43/1131617343.db2.gz TUNZJLPTXVKQSX-UHFFFAOYSA-N 0 1 269.388 3.890 20 0 CHADMN C[N@@H+](Cc1cn2c(cccc2F)n1)[C@@H]1CCc2ccccc21 ZINC001139572370 1131617451 /nfs/dbraw/zinc/61/74/51/1131617451.db2.gz OHRULTJGVCQVOC-MRXNPFEDSA-N 0 1 295.361 3.593 20 0 CHADMN CN(Cc1cn2c(cccc2F)n1)[C@@H]1CCc2ccccc21 ZINC001139572370 1131617452 /nfs/dbraw/zinc/61/74/52/1131617452.db2.gz OHRULTJGVCQVOC-MRXNPFEDSA-N 0 1 295.361 3.593 20 0 CHADMN Cc1cnc(Cl)c(CN2CCC[C@](C)(F)CC2)c1 ZINC001139588941 1131618652 /nfs/dbraw/zinc/61/86/52/1131618652.db2.gz BZCUIOJMVFFXOB-AWEZNQCLSA-N 0 1 270.779 3.758 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H](OCC)C2)cc1Cl ZINC001139595302 1131619646 /nfs/dbraw/zinc/61/96/46/1131619646.db2.gz HTICSXGOWJKLSG-CQSZACIVSA-N 0 1 297.826 3.740 20 0 CHADMN CCOc1ccc(CN2CCC3(CC3)C2)cc1Cl ZINC001139596692 1131619666 /nfs/dbraw/zinc/61/96/66/1131619666.db2.gz WAIRNVOQVHCXAH-UHFFFAOYSA-N 0 1 265.784 3.725 20 0 CHADMN CCOc1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)cc1Cl ZINC001139597448 1131620913 /nfs/dbraw/zinc/62/09/13/1131620913.db2.gz WRSWLNLUISPYER-OBJOEFQTSA-N 0 1 283.774 3.671 20 0 CHADMN COc1cc(CN2CCC[C@@H](F)CC2)ccc1Cl ZINC001139612347 1131621320 /nfs/dbraw/zinc/62/13/20/1131621320.db2.gz WXLLEXIIMLGJHF-GFCCVEGCSA-N 0 1 271.763 3.673 20 0 CHADMN COc1cc(C[N@H+]2CCC23CCCC3)ccc1Cl ZINC001139612069 1131621886 /nfs/dbraw/zinc/62/18/86/1131621886.db2.gz NARWJOFIXOFTSM-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN COc1cc(CN2CCC23CCCC3)ccc1Cl ZINC001139612069 1131621888 /nfs/dbraw/zinc/62/18/88/1131621888.db2.gz NARWJOFIXOFTSM-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN COc1cc(CN2CCC[C@H](CF)C2)ccc1Cl ZINC001139621897 1131623727 /nfs/dbraw/zinc/62/37/27/1131623727.db2.gz QQUKKPZONNACJV-GFCCVEGCSA-N 0 1 271.763 3.530 20 0 CHADMN CCOc1ccc(CN2CCOC[C@@H]2C(C)C)cc1CC ZINC001139624364 1131624486 /nfs/dbraw/zinc/62/44/86/1131624486.db2.gz XSSVUISNZOXDRI-QGZVFWFLSA-N 0 1 291.435 3.505 20 0 CHADMN CCOc1ccncc1CN(C)[C@H]1CCc2ccccc21 ZINC001139631862 1131624797 /nfs/dbraw/zinc/62/47/97/1131624797.db2.gz HWAZVOYIJXIVKN-KRWDZBQOSA-N 0 1 282.387 3.600 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1ccc(-c3cccnc3)cc1)C2 ZINC001139644846 1131625930 /nfs/dbraw/zinc/62/59/30/1131625930.db2.gz RHUPMEWKFKQCOG-OALUTQOASA-N 0 1 294.398 3.502 20 0 CHADMN Cc1nc2cc(C)ccn2c1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001139675560 1131627606 /nfs/dbraw/zinc/62/76/06/1131627606.db2.gz VALIJOVJRODZNT-HOTGVXAUSA-N 0 1 283.419 3.573 20 0 CHADMN Cc1nc2cc(C)ccn2c1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC001139676860 1131627991 /nfs/dbraw/zinc/62/79/91/1131627991.db2.gz IXLLRBQXXIKOMJ-QGZVFWFLSA-N 0 1 291.398 3.898 20 0 CHADMN Cc1nc2cc(C)ccn2c1CN1CC[C@@H]1c1ccccc1 ZINC001139676860 1131627992 /nfs/dbraw/zinc/62/79/92/1131627992.db2.gz IXLLRBQXXIKOMJ-QGZVFWFLSA-N 0 1 291.398 3.898 20 0 CHADMN Cc1nc2cc(C)ccn2c1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001139675559 1131628054 /nfs/dbraw/zinc/62/80/54/1131628054.db2.gz VALIJOVJRODZNT-CVEARBPZSA-N 0 1 283.419 3.573 20 0 CHADMN Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001139713447 1131631564 /nfs/dbraw/zinc/63/15/64/1131631564.db2.gz GJNPVJCRBPRPTN-GFCCVEGCSA-N 0 1 287.325 3.783 20 0 CHADMN Cc1cccc(CN(C)Cc2cnc3cccnc3c2)c1 ZINC001139741240 1131633307 /nfs/dbraw/zinc/63/33/07/1131633307.db2.gz RURZAOHPUULKCI-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN CN(Cc1cccc(Cl)c1)Cc1cnc2cccnc2c1 ZINC001139741856 1131633420 /nfs/dbraw/zinc/63/34/20/1131633420.db2.gz NLBDHXPLCSTTMY-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1cnc2cccnc2c1 ZINC001139739447 1131633670 /nfs/dbraw/zinc/63/36/70/1131633670.db2.gz DHWRRSXVWISILM-CQSZACIVSA-N 0 1 289.382 3.749 20 0 CHADMN COc1ncc(Cl)cc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001139749188 1131634153 /nfs/dbraw/zinc/63/41/53/1131634153.db2.gz OSKACIPZCQTTIX-FZMZJTMJSA-N 0 1 280.799 3.508 20 0 CHADMN COc1ncc(Cl)cc1CN1CC[C@H]2CCCC[C@H]2C1 ZINC001139749496 1131635069 /nfs/dbraw/zinc/63/50/69/1131635069.db2.gz BWBLMQBPBXEGLH-OLZOCXBDSA-N 0 1 294.826 3.756 20 0 CHADMN CCN(Cc1ccc(C)c(C)c1)Cc1ccc(OC)cn1 ZINC001144433767 1131635131 /nfs/dbraw/zinc/63/51/31/1131635131.db2.gz RLSRENXAQWLDNM-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN Cc1ccc(CN2CCC[C@H](OCc3ccccc3)C2)nc1 ZINC001139840358 1131641048 /nfs/dbraw/zinc/64/10/48/1131641048.db2.gz NUAJWQXLVIVXJY-IBGZPJMESA-N 0 1 296.414 3.571 20 0 CHADMN CN(Cc1ccsc1)Cc1cc2ccccc2n1C ZINC001139871864 1131643666 /nfs/dbraw/zinc/64/36/66/1131643666.db2.gz UUGOFOQDGWJZRF-UHFFFAOYSA-N 0 1 270.401 3.872 20 0 CHADMN CC(C)[C@@H]1CN(Cc2ccc(F)c3ccccc23)CCO1 ZINC001139892510 1131648864 /nfs/dbraw/zinc/64/88/64/1131648864.db2.gz RZYWDPGJTREQNB-SFHVURJKSA-N 0 1 287.378 3.836 20 0 CHADMN CCCC(C)(C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000845713574 1131652189 /nfs/dbraw/zinc/65/21/89/1131652189.db2.gz PBUSDBJIBCIUAG-UHFFFAOYSA-N 0 1 280.387 3.652 20 0 CHADMN CCCN(Cc1ccccc1)Cc1cnc(Cl)nc1 ZINC001139990498 1131654775 /nfs/dbraw/zinc/65/47/75/1131654775.db2.gz SAHXWMMENALXQF-UHFFFAOYSA-N 0 1 275.783 3.542 20 0 CHADMN CC(C)N(Cc1cc(Br)cnc1F)C(C)C ZINC001140003094 1131656023 /nfs/dbraw/zinc/65/60/23/1131656023.db2.gz NCDJFGGCWYVACR-UHFFFAOYSA-N 0 1 289.192 3.602 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001140048244 1131659188 /nfs/dbraw/zinc/65/91/88/1131659188.db2.gz BOEAARSVLSXNRG-OLZOCXBDSA-N 0 1 263.356 3.543 20 0 CHADMN CCOCC1CCN(Cc2cccc(Cl)c2OC)CC1 ZINC001140062041 1131660628 /nfs/dbraw/zinc/66/06/28/1131660628.db2.gz IASYBSZTGQGQBU-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN C[C@H]1CCCN(Cc2cc(C(F)(F)F)ccn2)[C@H]1C ZINC001140106265 1131664475 /nfs/dbraw/zinc/66/44/75/1131664475.db2.gz CZMYIAUJBBXVOS-QWRGUYRKSA-N 0 1 272.314 3.721 20 0 CHADMN Oc1ccc(CN2CCC3(CC(F)(F)C3)CC2)c(F)c1 ZINC001140124429 1131665898 /nfs/dbraw/zinc/66/58/98/1131665898.db2.gz MBOSUSLIMVLXKH-UHFFFAOYSA-N 0 1 285.309 3.543 20 0 CHADMN CCCCC1CCN(Cc2cccc(F)n2)CC1 ZINC001140131036 1131666346 /nfs/dbraw/zinc/66/63/46/1131666346.db2.gz DWJVLGYHVYIMJR-UHFFFAOYSA-N 0 1 250.361 3.623 20 0 CHADMN CC[C@@H](Nc1cccc2[nH]nnc21)c1ccccc1C ZINC001171201737 1131668165 /nfs/dbraw/zinc/66/81/65/1131668165.db2.gz RJBZLTUTHZKBDJ-CYBMUJFWSA-N 0 1 266.348 3.830 20 0 CHADMN CCn1c2ccccc2c2cc(Nc3nonc3N)ccc21 ZINC001203006543 1131668585 /nfs/dbraw/zinc/66/85/85/1131668585.db2.gz IXKSKOXQBGQTEE-UHFFFAOYSA-N 0 1 293.330 3.523 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cc(F)c([O-])cc2F)C[C@@H]1C ZINC001144647316 1131673431 /nfs/dbraw/zinc/67/34/31/1131673431.db2.gz DKCNQYQWQIBQAV-MNOVXSKESA-N 0 1 269.335 3.538 20 0 CHADMN Cc1ccc(CC[N@H+](C)Cc2cc(F)c([O-])cc2F)cc1 ZINC001144657620 1131675923 /nfs/dbraw/zinc/67/59/23/1131675923.db2.gz ANPNRUBPEDCVQI-UHFFFAOYSA-N 0 1 291.341 3.653 20 0 CHADMN Cc1cc(CN2CCO[C@H](c3ccccc3)C2)c(C)cc1O ZINC001140201423 1131676396 /nfs/dbraw/zinc/67/63/96/1131676396.db2.gz LCPZGIOZRFDEFH-IBGZPJMESA-N 0 1 297.398 3.583 20 0 CHADMN C[C@H](CSc1ccccc1)N(C)Cc1ccc(F)nc1 ZINC000846001035 1131676404 /nfs/dbraw/zinc/67/64/04/1131676404.db2.gz ZIGPMFCHAAZQHQ-CYBMUJFWSA-N 0 1 290.407 3.833 20 0 CHADMN Cc1cc(CN2CCc3ccc(F)cc3C2)c(C)cc1O ZINC001140201252 1131676406 /nfs/dbraw/zinc/67/64/06/1131676406.db2.gz IRXJCCASNFPMAB-UHFFFAOYSA-N 0 1 285.362 3.706 20 0 CHADMN C[C@@]1(c2cccc(F)c2)CCN(Cc2ccc(F)nc2)C1 ZINC000846000291 1131676512 /nfs/dbraw/zinc/67/65/12/1131676512.db2.gz MEUBJYWHEPMKTM-QGZVFWFLSA-N 0 1 288.341 3.523 20 0 CHADMN CCCN(CCC)c1ccc(NCc2nccn2C)cc1 ZINC000846059006 1131679339 /nfs/dbraw/zinc/67/93/39/1131679339.db2.gz SSPRWHFLNDYDRN-UHFFFAOYSA-N 0 1 286.423 3.659 20 0 CHADMN O=C([O-])c1ccsc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC001144677979 1131680161 /nfs/dbraw/zinc/68/01/61/1131680161.db2.gz JWGOLWRIHKOHAL-CQSZACIVSA-N 0 1 287.384 3.783 20 0 CHADMN O=C([O-])c1ccsc1C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC001144677308 1131680480 /nfs/dbraw/zinc/68/04/80/1131680480.db2.gz LDCNXFPMFROMCV-CQSZACIVSA-N 0 1 293.432 3.991 20 0 CHADMN CC[C@H](NCc1ccc(F)nc1)c1ccccc1F ZINC000846046504 1131684782 /nfs/dbraw/zinc/68/47/82/1131684782.db2.gz YNSOYHWDHAKRDJ-AWEZNQCLSA-N 0 1 262.303 3.601 20 0 CHADMN CCOc1ccc2[nH]cc(CN3CCC(F)(F)CC3)c2c1 ZINC001140266867 1131685744 /nfs/dbraw/zinc/68/57/44/1131685744.db2.gz PKGPFROPCYDVPB-UHFFFAOYSA-N 0 1 294.345 3.798 20 0 CHADMN CCCCOc1ccccc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000846113567 1131688210 /nfs/dbraw/zinc/68/82/10/1131688210.db2.gz YQNITCPLESIFOU-OKILXGFUSA-N 0 1 281.346 3.562 20 0 CHADMN CN(C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC001140295854 1131689010 /nfs/dbraw/zinc/68/90/10/1131689010.db2.gz RLGQDJCDPITZAH-UHFFFAOYSA-N 0 1 252.770 3.525 20 0 CHADMN c1csc([C@@H]2CCCN2Cc2cccc3cc[nH]c32)n1 ZINC001144717530 1131689463 /nfs/dbraw/zinc/68/94/63/1131689463.db2.gz VZJLCODTPFCLHL-AWEZNQCLSA-N 0 1 283.400 3.962 20 0 CHADMN C[C@H](N[C@@H]1CCC1(C)C)c1nc(Br)cs1 ZINC000834798524 1131706430 /nfs/dbraw/zinc/70/64/30/1131706430.db2.gz HVJIXPJMRPZYHP-JGVFFNPUSA-N 0 1 289.242 3.745 20 0 CHADMN C/C(=C/C[N@H+]([C@@H](C)c1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000846239605 1131702962 /nfs/dbraw/zinc/70/29/62/1131702962.db2.gz SNACIFRRQJZTGF-MMRAYRKESA-N 0 1 293.794 3.896 20 0 CHADMN CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C/C=C(/C)C(=O)[O-])o1 ZINC000846256686 1131703842 /nfs/dbraw/zinc/70/38/42/1131703842.db2.gz MCKWBPGZZXPUQV-AMZXMIAXSA-N 0 1 291.391 3.646 20 0 CHADMN Clc1ccc(C2CCN(Cc3ccncn3)CC2)cc1 ZINC001140345034 1131704140 /nfs/dbraw/zinc/70/41/40/1131704140.db2.gz GNCVUOTXLURGGJ-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN CC[C@H](NCc1cc(C)cc(Cl)n1)c1ccncc1 ZINC000834794148 1131706031 /nfs/dbraw/zinc/70/60/31/1131706031.db2.gz PKWRDZHIGLXKOD-AWEZNQCLSA-N 0 1 275.783 3.679 20 0 CHADMN C[C@@H]1CC[C@@H](N[C@@H]2CCn3ccnc32)c2sccc21 ZINC000834830836 1131708340 /nfs/dbraw/zinc/70/83/40/1131708340.db2.gz GYLJTMYKOQQDOS-RAIGVLPGSA-N 0 1 273.405 3.618 20 0 CHADMN Cc1ccc([C@H](N[C@H]2CCn3ccnc32)C2CCC2)cc1 ZINC000834832518 1131709005 /nfs/dbraw/zinc/70/90/05/1131709005.db2.gz PSNCRIYKFBDTNT-DLBZAZTESA-N 0 1 281.403 3.767 20 0 CHADMN Cc1cc(C)c([C@@H](C)N[C@@H]2CCn3ccnc32)cc1C ZINC000834837001 1131709802 /nfs/dbraw/zinc/70/98/02/1131709802.db2.gz QVMWIGLVSQJXKO-GDBMZVCRSA-N 0 1 269.392 3.604 20 0 CHADMN Cc1cc(C)c([C@@H](C)N[C@H]2CCn3ccnc32)cc1C ZINC000834837008 1131710306 /nfs/dbraw/zinc/71/03/06/1131710306.db2.gz QVMWIGLVSQJXKO-ZBFHGGJFSA-N 0 1 269.392 3.604 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2cc(C)c(OC)cc2C)o1 ZINC000834898186 1131721980 /nfs/dbraw/zinc/72/19/80/1131721980.db2.gz AAQODBWUQGWSNB-ZDUSSCGKSA-N 0 1 288.391 3.713 20 0 CHADMN c1coc(CN(Cc2ccc3c(c2)CCC3)C2CC2)c1 ZINC001203034948 1131724106 /nfs/dbraw/zinc/72/41/06/1131724106.db2.gz KJCWJOWELOCMJQ-UHFFFAOYSA-N 0 1 267.372 3.933 20 0 CHADMN CCC[C@@H]1CCCC[C@H]1Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227717159 1131728546 /nfs/dbraw/zinc/72/85/46/1131728546.db2.gz XMNGYQKKVNCHRQ-NQBHXWOUSA-N 0 1 292.379 3.511 20 0 CHADMN Cc1nsc(C)c1CNC(C)(C)c1ccc(F)cc1 ZINC000846826401 1131739565 /nfs/dbraw/zinc/73/95/65/1131739565.db2.gz QUQLGGCCZUGHGO-UHFFFAOYSA-N 0 1 278.396 3.924 20 0 CHADMN Fc1cc(CN[C@@H](c2cccnc2)C2CC2)cnc1Cl ZINC000846851317 1131750242 /nfs/dbraw/zinc/75/02/42/1131750242.db2.gz QLQIVMGHNHDDLR-CQSZACIVSA-N 0 1 291.757 3.510 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2cnc(Cl)c(F)c2)C1 ZINC000846853179 1131750647 /nfs/dbraw/zinc/75/06/47/1131750647.db2.gz SAQCUNCXUSNEGI-LLVKDONJSA-N 0 1 270.779 3.742 20 0 CHADMN COc1cc(F)cc(CN2CC[C@H](C)C(F)(F)CC2)c1 ZINC001140477647 1131757805 /nfs/dbraw/zinc/75/78/05/1131757805.db2.gz JCXAIPWBCXIOCQ-NSHDSACASA-N 0 1 287.325 3.702 20 0 CHADMN Cc1cc(CN[C@@H](c2cccs2)C(C)(C)CO)c(C)o1 ZINC000835057908 1131767002 /nfs/dbraw/zinc/76/70/02/1131767002.db2.gz GRXSOERQHDMXLK-HNNXBMFYSA-N 0 1 293.432 3.807 20 0 CHADMN C[N@@H+](Cc1ccccc1C(=O)[O-])C(C)(C)Cc1ccccc1 ZINC001140503303 1131770720 /nfs/dbraw/zinc/77/07/20/1131770720.db2.gz UIJJFZRZGKDVFQ-UHFFFAOYSA-N 0 1 297.398 3.838 20 0 CHADMN CC[C@@H](NCc1ccc2nonc2c1)c1ccccc1F ZINC000847022284 1131772578 /nfs/dbraw/zinc/77/25/78/1131772578.db2.gz XKVLOPTWLNTRCL-CQSZACIVSA-N 0 1 285.322 3.603 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001140506363 1131772921 /nfs/dbraw/zinc/77/29/21/1131772921.db2.gz HCQBGNZSNVNQAB-MRXNPFEDSA-N 0 1 295.382 3.764 20 0 CHADMN Fc1cccc(CN2CCCCC23CC3)c1Cl ZINC001140568215 1131797168 /nfs/dbraw/zinc/79/71/68/1131797168.db2.gz UZTFVHGPUIKQAR-UHFFFAOYSA-N 0 1 253.748 3.998 20 0 CHADMN Nc1nc(Cl)ccc1-c1nc2ccc(Cl)cc2[nH]1 ZINC001247007993 1131842175 /nfs/dbraw/zinc/84/21/75/1131842175.db2.gz INMMDVLSOLBOJS-UHFFFAOYSA-N 0 1 279.130 3.514 20 0 CHADMN Cc1c(Br)ccc(O[C@@H]2CCC[N@H+](C)C2)c1C ZINC001228322661 1131857686 /nfs/dbraw/zinc/85/76/86/1131857686.db2.gz IYTSVZPLFWVVIC-GFCCVEGCSA-N 0 1 298.224 3.539 20 0 CHADMN Cc1nc2ccc(O[C@@H]3CCCc4cccnc43)cc2[nH]1 ZINC001228326539 1131858509 /nfs/dbraw/zinc/85/85/09/1131858509.db2.gz ISUPVWNXXHSVOO-MRXNPFEDSA-N 0 1 279.343 3.723 20 0 CHADMN Cc1nc2ccc(O[C@H](C)c3cccnc3F)cc2[nH]1 ZINC001228328840 1131859625 /nfs/dbraw/zinc/85/96/25/1131859625.db2.gz JLZZPQPQJXMBBQ-SECBINFHSA-N 0 1 271.295 3.545 20 0 CHADMN C[C@@H](c1cn(-c2ccccc2)nn1)N1CCCC2(CCC2)C1 ZINC000348164824 1131891204 /nfs/dbraw/zinc/89/12/04/1131891204.db2.gz BYGSJIRCHHHNTI-HNNXBMFYSA-N 0 1 296.418 3.594 20 0 CHADMN Clc1ncc2ccccc2c1CN1CCC[C@H]2C[C@H]21 ZINC001140727054 1131897435 /nfs/dbraw/zinc/89/74/35/1131897435.db2.gz WCDIFTUNBRMMPA-XHDPSFHLSA-N 0 1 272.779 3.873 20 0 CHADMN CCCCCN(C)Cc1c(Cl)cccc1OC ZINC001140725595 1131898244 /nfs/dbraw/zinc/89/82/44/1131898244.db2.gz DFQDNPNAZCXQES-UHFFFAOYSA-N 0 1 255.789 3.971 20 0 CHADMN Cc1cccc(NC(=O)CN2CCCC3(CCC3)C2)c1C ZINC000348181314 1131900564 /nfs/dbraw/zinc/90/05/64/1131900564.db2.gz NUIZJGPIMHYUQR-UHFFFAOYSA-N 0 1 286.419 3.508 20 0 CHADMN FC(F)(F)[C@@H]1CCN(Cc2ccco2)CC12CCC2 ZINC000282822133 1131904522 /nfs/dbraw/zinc/90/45/22/1131904522.db2.gz AXUPFQFQGUDGEE-GFCCVEGCSA-N 0 1 273.298 3.834 20 0 CHADMN Oc1cc(Cl)cc(CN2CCC23CCCCC3)c1 ZINC001140787250 1131917820 /nfs/dbraw/zinc/91/78/20/1131917820.db2.gz CIVCFHWXCLZTRV-UHFFFAOYSA-N 0 1 265.784 3.954 20 0 CHADMN Cc1cc(Br)c(F)cc1CN1CCC[C@@H]1C ZINC001140793368 1131920095 /nfs/dbraw/zinc/92/00/95/1131920095.db2.gz HJTKBVBCXQNMEO-JTQLQIEISA-N 0 1 286.188 3.881 20 0 CHADMN Clc1ccc2c(c1)CC[C@@H]2Oc1ccc2[nH]nnc2c1 ZINC001228663375 1131930010 /nfs/dbraw/zinc/93/00/10/1131930010.db2.gz BQCSMXJHWIGKEI-HNNXBMFYSA-N 0 1 285.734 3.678 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCCc3c[nH]nc32)ccc1F ZINC000773067958 1131935572 /nfs/dbraw/zinc/93/55/72/1131935572.db2.gz YOSPHESUVAIBPQ-NHYWBVRUSA-N 0 1 273.355 3.585 20 0 CHADMN C[C@H](NCc1cccc(F)n1)c1ccc2c(c1)CCCC2 ZINC000773084745 1131938742 /nfs/dbraw/zinc/93/87/42/1131938742.db2.gz FLXXUSKPKIRWJP-ZDUSSCGKSA-N 0 1 284.378 3.950 20 0 CHADMN COc1cc(F)c(CN2CC[C@H]3CCCC[C@@H]3C2)c(F)c1 ZINC001140829575 1131939257 /nfs/dbraw/zinc/93/92/57/1131939257.db2.gz JQUHFZFGOOLLGQ-CHWSQXEVSA-N 0 1 295.373 3.986 20 0 CHADMN Fc1cccc(CN[C@@H]2CCc3cc(Cl)ccc32)n1 ZINC000773086474 1131941196 /nfs/dbraw/zinc/94/11/96/1131941196.db2.gz JKWYEXRXAVGCQM-CQSZACIVSA-N 0 1 276.742 3.651 20 0 CHADMN C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1cccc(F)n1 ZINC000773086501 1131941717 /nfs/dbraw/zinc/94/17/17/1131941717.db2.gz JSFLXUXJPJHSQD-APPDUMDISA-N 0 1 288.341 3.773 20 0 CHADMN Cc1c([C@H](C)N[C@H](C)c2ccc[nH]2)cnn1-c1ccccc1 ZINC000773114086 1131949220 /nfs/dbraw/zinc/94/92/20/1131949220.db2.gz CSBGFWFXIJCNQT-UONOGXRCSA-N 0 1 294.402 3.921 20 0 CHADMN Cc1c[nH]c(CN(C)Cc2ccc(Cl)cc2)c1C ZINC001140860304 1131950618 /nfs/dbraw/zinc/95/06/18/1131950618.db2.gz OVIJVWCEPWNEAQ-UHFFFAOYSA-N 0 1 262.784 3.917 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc([O-])c(F)c2F)C[C@H]1C ZINC001140889650 1131958646 /nfs/dbraw/zinc/95/86/46/1131958646.db2.gz JCCDPZDDLSBCIQ-GHMZBOCLSA-N 0 1 269.335 3.538 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccc(Cl)cc2)n[nH]1 ZINC001203075375 1131959303 /nfs/dbraw/zinc/95/93/03/1131959303.db2.gz GSOLGVIWYAGTOO-HNNXBMFYSA-N 0 1 275.783 3.709 20 0 CHADMN Cc1cccc(CC[N@H+](C)Cc2ccc([O-])c(F)c2F)c1 ZINC001140892870 1131960032 /nfs/dbraw/zinc/96/00/32/1131960032.db2.gz BXHYBQCSAUKBPR-UHFFFAOYSA-N 0 1 291.341 3.653 20 0 CHADMN C[C@H]1CCCCN(Cc2cnccc2C(F)(F)F)C1 ZINC001140915409 1131962108 /nfs/dbraw/zinc/96/21/08/1131962108.db2.gz LQMNPSFAGJWQNM-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN CC[C@H]1CCCN(Cc2cnccc2C(F)(F)F)C1 ZINC001140919758 1131962611 /nfs/dbraw/zinc/96/26/11/1131962611.db2.gz BZQBOKQWIWXZKW-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN C[C@H]1CCCCCN1Cc1cnccc1C(F)(F)F ZINC001140916441 1131963292 /nfs/dbraw/zinc/96/32/92/1131963292.db2.gz ADQBPLNBTBMKRM-NSHDSACASA-N 0 1 272.314 3.865 20 0 CHADMN Clc1cccc(C2CCN(Cc3cnco3)CC2)c1 ZINC001140928327 1131966460 /nfs/dbraw/zinc/96/64/60/1131966460.db2.gz LEMJCQHLFWXZJP-UHFFFAOYSA-N 0 1 276.767 3.708 20 0 CHADMN COc1cc(F)cc(CNc2ncc(C)c3cc[nH]c32)c1 ZINC001171410475 1131977473 /nfs/dbraw/zinc/97/74/73/1131977473.db2.gz FOMABWGEAAEGDD-UHFFFAOYSA-N 0 1 285.322 3.631 20 0 CHADMN C[N@@H+](Cc1cccc(Cl)c1)Cc1cc(F)c([O-])c(F)c1 ZINC001140990419 1131978489 /nfs/dbraw/zinc/97/84/89/1131978489.db2.gz YMOBQCJQFDIFJP-UHFFFAOYSA-N 0 1 297.732 3.956 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccncc1)c1ccccc1OC ZINC000036995128 1131988528 /nfs/dbraw/zinc/98/85/28/1131988528.db2.gz NAECYUVITYQKEY-XJKSGUPXSA-N 0 1 270.376 3.892 20 0 CHADMN FC(F)(F)c1cnccc1NCCCC1CCCC1 ZINC001649158712 1131989776 /nfs/dbraw/zinc/98/97/76/1131989776.db2.gz GFBJPRJPFLFNNL-UHFFFAOYSA-N 0 1 272.314 3.905 20 0 CHADMN Cc1ccncc1CN1CCC[C@@H]1c1ccccc1F ZINC001141035229 1131991085 /nfs/dbraw/zinc/99/10/85/1131991085.db2.gz PXCOSAJDYHCLAR-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@H](C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1)CC(C)(C)C ZINC000715777959 1131991650 /nfs/dbraw/zinc/99/16/50/1131991650.db2.gz DMBYBLDLTWGILM-ZQIUZPCESA-N 0 1 281.440 3.636 20 0 CHADMN C[C@H](Oc1nnc2c[nH]ccc1-2)c1cccc(Cl)c1 ZINC001228989325 1131993951 /nfs/dbraw/zinc/99/39/51/1131993951.db2.gz GLNIZBABANUZLH-VIFPVBQESA-N 0 1 273.723 3.751 20 0 CHADMN C[C@H](NCc1cccc(Cl)c1)c1ccns1 ZINC000715907687 1131994804 /nfs/dbraw/zinc/99/48/04/1131994804.db2.gz IKMZYHDBHZPAGB-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN C[C@H](NCc1ccc(Br)cc1)c1ccns1 ZINC000715919943 1131995978 /nfs/dbraw/zinc/99/59/78/1131995978.db2.gz KTIIPGZDQMCMHI-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN CCC(CC)[C@@H](NCc1cc[nH]n1)c1ccccc1 ZINC000037107837 1131996320 /nfs/dbraw/zinc/99/63/20/1131996320.db2.gz NBZUWTGXPGKMJD-MRXNPFEDSA-N 0 1 257.381 3.677 20 0 CHADMN FC(F)(F)[C@@H](Oc1nnc2c[nH]ccc1-2)c1ccccc1 ZINC001228997260 1131996399 /nfs/dbraw/zinc/99/63/99/1131996399.db2.gz XXUVQJABDBCXKU-LBPRGKRZSA-N 0 1 293.248 3.640 20 0 CHADMN CSc1ccc(CN[C@@H](C)c2ccns2)cc1 ZINC000716030286 1132002001 /nfs/dbraw/zinc/00/20/01/1132002001.db2.gz MNLNTESWGFWQPG-JTQLQIEISA-N 0 1 264.419 3.716 20 0 CHADMN CSc1cccc(CN[C@@H](C)c2ccns2)c1 ZINC000716034148 1132002078 /nfs/dbraw/zinc/00/20/78/1132002078.db2.gz OKYNQDVFABABKA-JTQLQIEISA-N 0 1 264.419 3.716 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccns2)cc1OC ZINC000716055162 1132003851 /nfs/dbraw/zinc/00/38/51/1132003851.db2.gz OCUDDTWMBMOKGM-WDEREUQCSA-N 0 1 292.404 3.572 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccns1 ZINC000716012669 1132008657 /nfs/dbraw/zinc/00/86/57/1132008657.db2.gz DATJISCFUMVYJU-DTWKUNHWSA-N 0 1 268.332 3.833 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1scnc1C(C)C ZINC000836979040 1132023071 /nfs/dbraw/zinc/02/30/71/1132023071.db2.gz ZUZZQVMLJRIHJT-UHFFFAOYSA-N 0 1 297.468 3.717 20 0 CHADMN Cc1[nH]nc(CNCc2c(Cl)oc3ccccc32)c1C ZINC000716457229 1132024811 /nfs/dbraw/zinc/02/48/11/1132024811.db2.gz NFHMLMMLVNAPMA-UHFFFAOYSA-N 0 1 289.766 3.716 20 0 CHADMN Cc1cc2cc[nH]c2c(NCc2cccc3ncoc32)n1 ZINC001171453161 1132032206 /nfs/dbraw/zinc/03/22/06/1132032206.db2.gz RTJFBVNURBAAJT-UHFFFAOYSA-N 0 1 278.315 3.625 20 0 CHADMN CC1(C)CCC[C@@H]1[C@H]1CCN(Cc2ccc(Cl)nn2)C1 ZINC001171459270 1132034330 /nfs/dbraw/zinc/03/43/30/1132034330.db2.gz SPLFSVVZBUEFPG-GXTWGEPZSA-N 0 1 293.842 3.778 20 0 CHADMN COc1ccc(C(F)(F)F)cc1CN1CCC[C@H](C)C1 ZINC001141200716 1132041663 /nfs/dbraw/zinc/04/16/63/1132041663.db2.gz UYDIEWCNUBGUBR-NSHDSACASA-N 0 1 287.325 3.946 20 0 CHADMN Fc1cc2c(cc1F)C[C@@H](N1CCCC[C@@H](F)C1)CC2 ZINC001171477761 1132044324 /nfs/dbraw/zinc/04/43/24/1132044324.db2.gz UYPIKIFJZKYFHU-KGLIPLIRSA-N 0 1 283.337 3.646 20 0 CHADMN FC[C@H]1CCCN(Cc2csc(-c3ccccc3)n2)C1 ZINC001141214261 1132044514 /nfs/dbraw/zinc/04/45/14/1132044514.db2.gz NJPDAWGDVMVMKP-CYBMUJFWSA-N 0 1 290.407 3.992 20 0 CHADMN CC(C)C[C@H](C)N1CCN(c2c(F)cccc2F)CC1 ZINC001171511373 1132047333 /nfs/dbraw/zinc/04/73/33/1132047333.db2.gz UGCGNXZLFMGMQC-ZDUSSCGKSA-N 0 1 282.378 3.521 20 0 CHADMN CC(=O)c1cc(C)cc(C)c1OC1CCN(C2CC2)CC1 ZINC001229357615 1132056167 /nfs/dbraw/zinc/05/61/67/1132056167.db2.gz DJFINCQNQDKVDX-UHFFFAOYSA-N 0 1 287.403 3.512 20 0 CHADMN Clc1ccccc1CN1CCC[C@@H](OC2CCC2)C1 ZINC001171631243 1132061542 /nfs/dbraw/zinc/06/15/42/1132061542.db2.gz JQNIICZBXXCHMJ-OAHLLOKOSA-N 0 1 279.811 3.874 20 0 CHADMN CC(C)(C)OC(=O)CN(CC1CC(C)(C)C1)C1CCC1 ZINC001171631885 1132063005 /nfs/dbraw/zinc/06/30/05/1132063005.db2.gz SRDRHLWZCFQCDB-UHFFFAOYSA-N 0 1 281.440 3.619 20 0 CHADMN Cc1ccc(CC[C@@H](C)N[C@H](C)c2ncc(F)cn2)cc1 ZINC001171663027 1132070957 /nfs/dbraw/zinc/07/09/57/1132070957.db2.gz HKUNZCLWVWXOIT-ZIAGYGMSSA-N 0 1 287.382 3.596 20 0 CHADMN CCN(Cc1cccc(Cl)c1Cl)[C@H]1CCCOC1 ZINC001171730252 1132086972 /nfs/dbraw/zinc/08/69/72/1132086972.db2.gz SLTHJIKOCYLISD-LBPRGKRZSA-N 0 1 288.218 3.994 20 0 CHADMN CC[C@@H]1CN(Cc2cnc3ccc(C)cc3c2)[C@H](CC)CO1 ZINC001171779533 1132096667 /nfs/dbraw/zinc/09/66/67/1132096667.db2.gz ZHCJCCOYDOGRQO-QZTJIDSGSA-N 0 1 298.430 3.933 20 0 CHADMN COc1ccc2cc(CN(C)CC3CC3)c(Cl)nc2c1 ZINC000037903020 1132097306 /nfs/dbraw/zinc/09/73/06/1132097306.db2.gz XESMIUBIHWEEBF-UHFFFAOYSA-N 0 1 290.794 3.739 20 0 CHADMN Fc1cccc2c1C[C@@H](N1Cc3cccc(Cl)c3C1)C2 ZINC001171808108 1132106067 /nfs/dbraw/zinc/10/60/67/1132106067.db2.gz XTDGJCFCYCOFFA-ZDUSSCGKSA-N 0 1 287.765 3.962 20 0 CHADMN F[C@@H]1CCN(Cc2cccc(-c3ccsc3)c2)C1 ZINC001141377493 1132106822 /nfs/dbraw/zinc/10/68/22/1132106822.db2.gz QPZKYBCHAAKQLZ-OAHLLOKOSA-N 0 1 261.365 3.959 20 0 CHADMN c1ccc(CN(Cc2cccnc2)C2CCCCC2)nc1 ZINC001204075946 1132106993 /nfs/dbraw/zinc/10/69/93/1132106993.db2.gz YVEQFXYTDKTZIC-UHFFFAOYSA-N 0 1 281.403 3.812 20 0 CHADMN Cc1coc(CN[C@H](C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC001171957927 1132111161 /nfs/dbraw/zinc/11/11/61/1132111161.db2.gz HUPXTAHBZQPDAS-SNVBAGLBSA-N 0 1 298.308 3.723 20 0 CHADMN CCCC1CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC001141393904 1132111207 /nfs/dbraw/zinc/11/12/07/1132111207.db2.gz CUSMLSLLQUAKEY-UHFFFAOYSA-N 0 1 293.382 3.704 20 0 CHADMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCc2ccccc2C1 ZINC000258073575 1132112989 /nfs/dbraw/zinc/11/29/89/1132112989.db2.gz HPWYLLBQPFJCNP-UHFFFAOYSA-N 0 1 273.763 3.604 20 0 CHADMN [O-]c1cc(Cl)ccc1C[N@H+]1CCc2ccccc2C1 ZINC000258073575 1132112992 /nfs/dbraw/zinc/11/29/92/1132112992.db2.gz HPWYLLBQPFJCNP-UHFFFAOYSA-N 0 1 273.763 3.604 20 0 CHADMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)N1CCCC(=O)CC1 ZINC001171969487 1132118657 /nfs/dbraw/zinc/11/86/57/1132118657.db2.gz VYRKWJZHZQHSCI-LBPRGKRZSA-N 0 1 299.336 3.691 20 0 CHADMN CC[C@H](C)[C@@H](C)Oc1ccc(F)cc1CN(C)C ZINC001229858152 1132125159 /nfs/dbraw/zinc/12/51/59/1132125159.db2.gz HBSLTKABWFGWFZ-NWDGAFQWSA-N 0 1 253.361 3.701 20 0 CHADMN CCN(C(=O)c1ccc(CN2CCCC2)o1)c1ccccc1 ZINC001141472235 1132138635 /nfs/dbraw/zinc/13/86/35/1132138635.db2.gz GTRZQVHRGZNIHH-UHFFFAOYSA-N 0 1 298.386 3.542 20 0 CHADMN C[C@@H](c1cccs1)N(C)C[C@@H]1CC1(Cl)Cl ZINC000838561992 1132141600 /nfs/dbraw/zinc/14/16/00/1132141600.db2.gz RKNDTYKKZUDEQM-IUCAKERBSA-N 0 1 264.221 3.935 20 0 CHADMN O=c1[nH]cnc(O[C@@H]2Cc3cccc4cccc2c34)c1Cl ZINC001230011954 1132144489 /nfs/dbraw/zinc/14/44/89/1132144489.db2.gz BIMOLDQJNVAZHA-GFCCVEGCSA-N 0 1 298.729 3.665 20 0 CHADMN C[C@@]1(F)CCCN([C@@H]2CSc3ccccc3C2)C1 ZINC001172197395 1132147706 /nfs/dbraw/zinc/14/77/06/1132147706.db2.gz VIMZTXGWTJPLOH-DZGCQCFKSA-N 0 1 265.397 3.527 20 0 CHADMN CC[C@H](NCc1ccc2c(n1)CCC2)c1ccccc1OC ZINC000838898991 1132156143 /nfs/dbraw/zinc/15/61/43/1132156143.db2.gz RYBWTUOSFWYHQV-KRWDZBQOSA-N 0 1 296.414 3.820 20 0 CHADMN CC[C@@H](NCc1ccc2c(n1)CCC2)c1ccccc1OC ZINC000838898992 1132156460 /nfs/dbraw/zinc/15/64/60/1132156460.db2.gz RYBWTUOSFWYHQV-QGZVFWFLSA-N 0 1 296.414 3.820 20 0 CHADMN CO[C@@H](COc1cc2cn[nH]c2cc1C)c1ccccc1 ZINC001230223849 1132161595 /nfs/dbraw/zinc/16/15/95/1132161595.db2.gz WDRXCPIUYQMTQH-KRWDZBQOSA-N 0 1 282.343 3.638 20 0 CHADMN Cc1cc2[nH]ncc2cc1OC(C(F)(F)F)C(F)(F)F ZINC001230224165 1132161678 /nfs/dbraw/zinc/16/16/78/1132161678.db2.gz ZLKORDLORNXYSO-UHFFFAOYSA-N 0 1 298.186 3.743 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@@H](C(C)C)C(F)(F)F ZINC001230223908 1132161773 /nfs/dbraw/zinc/16/17/73/1132161773.db2.gz WVFMIBASVQKTSN-LBPRGKRZSA-N 0 1 272.270 3.837 20 0 CHADMN CC(C)(C)N1CC(Oc2ccccc2-c2ccccn2)C1 ZINC001230314880 1132171857 /nfs/dbraw/zinc/17/18/57/1132171857.db2.gz HTQIHJVINSOMHV-UHFFFAOYSA-N 0 1 282.387 3.610 20 0 CHADMN C[C@@H](CCCc1cccnc1)NCc1csc(Cl)n1 ZINC000839142533 1132184228 /nfs/dbraw/zinc/18/42/28/1132184228.db2.gz IDUMKKRSGSZNLP-NSHDSACASA-N 0 1 295.839 3.693 20 0 CHADMN CC[C@@H](C)OCC[C@@H](C)N1CCc2cc(F)c(F)cc2C1 ZINC001172359153 1132187376 /nfs/dbraw/zinc/18/73/76/1132187376.db2.gz HWVJOTXHIWEVBK-CHWSQXEVSA-N 0 1 297.389 3.917 20 0 CHADMN CC[C@H](CC(C)C)N(C)[C@@H](Cc1ccccc1)C(=O)OC ZINC001172404302 1132197230 /nfs/dbraw/zinc/19/72/30/1132197230.db2.gz VGAXFNJBVNKCGZ-SJORKVTESA-N 0 1 291.435 3.527 20 0 CHADMN C[C@@H]1CC[C@H](N2Cc3cnc(Cl)cc3C2)C[C@H]1C ZINC001172383464 1132210405 /nfs/dbraw/zinc/21/04/05/1132210405.db2.gz QYIPGYSVVINPPQ-GYSYKLTISA-N 0 1 264.800 3.875 20 0 CHADMN Fc1cc2ncccc2cc1CN1CCc2ccccc2C1 ZINC001141620714 1132210988 /nfs/dbraw/zinc/21/09/88/1132210988.db2.gz GMKVDIYGCAQQIC-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN C[C@]1(CF)CC[N@@H+](Cc2cc3cccnc3cc2F)C1 ZINC001141623886 1132213977 /nfs/dbraw/zinc/21/39/77/1132213977.db2.gz WMXLXSGOAHVUPB-MRXNPFEDSA-N 0 1 276.330 3.555 20 0 CHADMN CN(Cc1ccc2cc(F)ccc2n1)C1CC(F)(F)C1 ZINC001141640240 1132219600 /nfs/dbraw/zinc/21/96/00/1132219600.db2.gz RXEMCWLFNGGDOT-UHFFFAOYSA-N 0 1 280.293 3.603 20 0 CHADMN FC[C@H]1CCC[N@@H+](Cc2ccc3cc(F)ccc3n2)C1 ZINC001141648781 1132223219 /nfs/dbraw/zinc/22/32/19/1132223219.db2.gz DQGCCXPJFTZOFQ-GFCCVEGCSA-N 0 1 276.330 3.555 20 0 CHADMN CC1=C[C@H](C)C[N@@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000839593841 1132224510 /nfs/dbraw/zinc/22/45/10/1132224510.db2.gz UJFMINFIOXJYGS-NSHDSACASA-N 0 1 297.320 3.830 20 0 CHADMN CC1=C[C@H](C)CN(Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000839593841 1132224515 /nfs/dbraw/zinc/22/45/15/1132224515.db2.gz UJFMINFIOXJYGS-NSHDSACASA-N 0 1 297.320 3.830 20 0 CHADMN C[C@H](Oc1nncc2n[nH]cc21)c1cc2ccccc2s1 ZINC001230896796 1132224941 /nfs/dbraw/zinc/22/49/41/1132224941.db2.gz VDATXNLALUPKKM-VIFPVBQESA-N 0 1 296.355 3.708 20 0 CHADMN CC(C)COCC[C@@H](C)N(C)Cc1cnc(Cl)s1 ZINC001172474477 1132226127 /nfs/dbraw/zinc/22/61/27/1132226127.db2.gz RBVJJSZJMJMBAZ-LLVKDONJSA-N 0 1 290.860 3.680 20 0 CHADMN Fc1cc(O[C@H]2CCCc3cccnc32)cc2[nH]ncc21 ZINC001230931087 1132230426 /nfs/dbraw/zinc/23/04/26/1132230426.db2.gz KVDXUIZMAWCRAZ-HNNXBMFYSA-N 0 1 283.306 3.553 20 0 CHADMN C[C@@H](Oc1cc2[nH]ncc2c(F)c1)c1ccc(F)cc1 ZINC001230930986 1132231330 /nfs/dbraw/zinc/23/13/30/1132231330.db2.gz KPGYDHZISUAVEV-SECBINFHSA-N 0 1 274.270 3.981 20 0 CHADMN CC(C)OCC[C@H](C)N(CC(=O)c1ccccc1)C(C)C ZINC001172457387 1132240032 /nfs/dbraw/zinc/24/00/32/1132240032.db2.gz TWECXNLBUFESAD-INIZCTEOSA-N 0 1 291.435 3.783 20 0 CHADMN CC[C@@H]1CCCN1CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1 ZINC000839988384 1132243337 /nfs/dbraw/zinc/24/33/37/1132243337.db2.gz NPPQMNAFZHAPNA-SJORKVTESA-N 0 1 298.430 3.572 20 0 CHADMN C[C@H]1CCCN1CN1C(=O)C2(CCCC2)[C@H]1c1ccccc1 ZINC000840015530 1132246133 /nfs/dbraw/zinc/24/61/33/1132246133.db2.gz QMUIMANTZJCYRI-DOTOQJQBSA-N 0 1 298.430 3.572 20 0 CHADMN Clc1cc2nc(O[C@@H]3C=CCCC3)[nH]c2c(Cl)n1 ZINC001231045578 1132248627 /nfs/dbraw/zinc/24/86/27/1132248627.db2.gz XGMZHUMCVIXGOK-SSDOTTSWSA-N 0 1 284.146 3.752 20 0 CHADMN CC1(C)CC(N[C@@H]2CCCC2(F)F)CC(C)(C)O1 ZINC001172650939 1132287698 /nfs/dbraw/zinc/28/76/98/1132287698.db2.gz TXQICFZPTWQMCX-LLVKDONJSA-N 0 1 261.356 3.500 20 0 CHADMN CC(C)c1ccoc1C(=O)Nc1ccc(F)c(F)c1O ZINC001141880310 1132260934 /nfs/dbraw/zinc/26/09/34/1132260934.db2.gz UALHZRYYCQCCII-UHFFFAOYSA-N 0 1 281.258 3.639 20 0 CHADMN O=C(Nc1ccc(F)c(F)c1O)C1CCCCCCC1 ZINC001141880289 1132261089 /nfs/dbraw/zinc/26/10/89/1132261089.db2.gz SOQRCPGYVXDPFR-UHFFFAOYSA-N 0 1 283.318 3.969 20 0 CHADMN C[C@H](CCc1c(F)cc(Cl)cc1F)N1CC=CC1 ZINC001172569181 1132272456 /nfs/dbraw/zinc/27/24/56/1132272456.db2.gz DUJFWXFFSAIINJ-SNVBAGLBSA-N 0 1 271.738 3.811 20 0 CHADMN CCC1(c2ccccc2)CN(C[C@H](O)c2ccccc2F)C1 ZINC000840770071 1132285117 /nfs/dbraw/zinc/28/51/17/1132285117.db2.gz JXLFEWWRKWPHBO-SFHVURJKSA-N 0 1 299.389 3.523 20 0 CHADMN CN(Cc1sccc1Oc1ccccc1)[C@@H]1CCOC1 ZINC001142001089 1132290924 /nfs/dbraw/zinc/29/09/24/1132290924.db2.gz GVEAUDZMGTYNPI-CYBMUJFWSA-N 0 1 289.400 3.761 20 0 CHADMN Cc1n[nH]cc1-c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC001212677903 1132293332 /nfs/dbraw/zinc/29/33/32/1132293332.db2.gz WGAUCMJWLBMROE-UHFFFAOYSA-N 0 1 295.129 3.742 20 0 CHADMN CSc1cc(C)ccc1NC(=S)NC1(C)CCC1 ZINC000840858100 1132296262 /nfs/dbraw/zinc/29/62/62/1132296262.db2.gz ZXBRXUKIMKVWST-UHFFFAOYSA-N 0 1 280.462 3.946 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)s1 ZINC001231465065 1132296794 /nfs/dbraw/zinc/29/67/94/1132296794.db2.gz BHDSSQCBCZKTIB-TXEJJXNPSA-N 0 1 299.395 3.533 20 0 CHADMN CCN(CC)Cc1ccc(Cl)nc1NC(=O)C(C)(C)C ZINC001231445465 1132296899 /nfs/dbraw/zinc/29/68/99/1132296899.db2.gz XNGKWHMAASWGNR-UHFFFAOYSA-N 0 1 297.830 3.561 20 0 CHADMN CC(C)N(C)Cc1ccc(Cl)nc1NC(=O)C(C)(C)C ZINC001231443241 1132297043 /nfs/dbraw/zinc/29/70/43/1132297043.db2.gz GLEYDGPOPANZRP-UHFFFAOYSA-N 0 1 297.830 3.560 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1cc(C)c(C)cc1C ZINC001231484949 1132300164 /nfs/dbraw/zinc/30/01/64/1132300164.db2.gz FKWWZELVNOIMGI-QGZVFWFLSA-N 0 1 259.393 3.555 20 0 CHADMN Clc1sccc1CNc1nccn1C1CC1 ZINC000840886502 1132301790 /nfs/dbraw/zinc/30/17/90/1132301790.db2.gz FMKRZMMBESWVJO-UHFFFAOYSA-N 0 1 253.758 3.545 20 0 CHADMN c1[nH]c2cccnc2c1CN1CCSc2ccccc2C1 ZINC001231491859 1132302511 /nfs/dbraw/zinc/30/25/11/1132302511.db2.gz GYDJFWLFQJQYSN-UHFFFAOYSA-N 0 1 295.411 3.671 20 0 CHADMN CC1(C)C[N@H+](C2CCC3(CCCC3)CC2)CCC1=O ZINC001172729906 1132303404 /nfs/dbraw/zinc/30/34/04/1132303404.db2.gz NHZARNNLBIPJJM-UHFFFAOYSA-N 0 1 263.425 3.790 20 0 CHADMN Cc1ccc(CNC(C)(C)c2ccc(C(C)C)cc2)nn1 ZINC000840891135 1132304401 /nfs/dbraw/zinc/30/44/01/1132304401.db2.gz GGQNEZHVQLCDMB-UHFFFAOYSA-N 0 1 283.419 3.933 20 0 CHADMN Cc1c(C)c(C)c(CN2C[C@H]3CC[C@@H]2CO3)c(C)c1C ZINC001231494654 1132305860 /nfs/dbraw/zinc/30/58/60/1132305860.db2.gz QJUXAHMHDNPJPR-IAGOWNOFSA-N 0 1 273.420 3.592 20 0 CHADMN Cc1c(C)c(C)c(CN2CCc3nn(C)cc3C2)c(C)c1C ZINC001231493742 1132306141 /nfs/dbraw/zinc/30/61/41/1132306141.db2.gz COGJFHQAWHEIRQ-UHFFFAOYSA-N 0 1 297.446 3.521 20 0 CHADMN Cc1c(C)c(C)c(CN(C)Cc2ccno2)c(C)c1C ZINC001231494685 1132306339 /nfs/dbraw/zinc/30/63/39/1132306339.db2.gz RATMMKQHHVJPRJ-UHFFFAOYSA-N 0 1 272.392 3.849 20 0 CHADMN CSc1ccccc1[C@@H]1CCCN1Cc1cnc(C)nc1 ZINC001203116783 1132309919 /nfs/dbraw/zinc/30/99/19/1132309919.db2.gz QGUUHJYNIBNQJZ-INIZCTEOSA-N 0 1 299.443 3.844 20 0 CHADMN CC(C)Oc1ccc(CN2CC[C@H](C)C(F)(F)CC2)cn1 ZINC001231532010 1132312570 /nfs/dbraw/zinc/31/25/70/1132312570.db2.gz MBHDIODZEBWNNN-ZDUSSCGKSA-N 0 1 298.377 3.736 20 0 CHADMN C[C@@]1(CF)CCN(Cc2ccc(O)c(C(F)(F)F)c2)C1 ZINC001231523615 1132314060 /nfs/dbraw/zinc/31/40/60/1132314060.db2.gz HBVVDJPIBRDYQU-ZDUSSCGKSA-N 0 1 291.288 3.593 20 0 CHADMN COc1cc(F)c(Nc2ccc3nc(C)[nH]c3c2)c(F)c1 ZINC001213074145 1132314601 /nfs/dbraw/zinc/31/46/01/1132314601.db2.gz GFARQZKDVMPLCS-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1ccccc1CN(C)Cc1ccc(OC(C)C)nc1 ZINC001231534463 1132315683 /nfs/dbraw/zinc/31/56/83/1132315683.db2.gz YCVMWHVGJUIDPW-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cc(Br)c[nH]1 ZINC001231576434 1132316704 /nfs/dbraw/zinc/31/67/04/1132316704.db2.gz IAHXGKJKAIKVBQ-SNVBAGLBSA-N 0 1 271.202 3.542 20 0 CHADMN CN(Cc1ccc(Cl)nn1)Cc1cccc2ccccc21 ZINC001142070851 1132317370 /nfs/dbraw/zinc/31/73/70/1132317370.db2.gz HSQNLAWTBFKPPI-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN Oc1cc(Cl)c(CN2C[C@@H]3CCC[C@H]3C2)c(Cl)c1 ZINC001142106116 1132326676 /nfs/dbraw/zinc/32/66/76/1132326676.db2.gz ZTDYIOQOUTXKRB-UWVGGRQHSA-N 0 1 286.202 3.931 20 0 CHADMN Cc1sc2ccccc2c1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001231645182 1132334763 /nfs/dbraw/zinc/33/47/63/1132334763.db2.gz SUOKTCJUIFRWMK-WHOFXGATSA-N 0 1 275.392 4.000 20 0 CHADMN Cc1sc2ccccc2c1CN(C)Cc1cnc(C)nc1 ZINC001231648434 1132336401 /nfs/dbraw/zinc/33/64/01/1132336401.db2.gz DQORCQQZAXZTET-UHFFFAOYSA-N 0 1 297.427 3.940 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc(Cl)cc2)cn1 ZINC001231654732 1132337786 /nfs/dbraw/zinc/33/77/86/1132337786.db2.gz TXQBZMUWXZRJTP-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN Cc1ccc(CN2C[C@@H](C)C[C@H]2CO)c(Cl)c1Cl ZINC001231661519 1132338509 /nfs/dbraw/zinc/33/85/09/1132338509.db2.gz SCPKDSWMNVVFFO-CABZTGNLSA-N 0 1 288.218 3.505 20 0 CHADMN CCCO[C@@H]1CCN([C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172851645 1132340329 /nfs/dbraw/zinc/34/03/29/1132340329.db2.gz BJPOKIGRNQNZGP-QWHCGFSZSA-N 0 1 299.817 3.911 20 0 CHADMN FC[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC001231684485 1132343983 /nfs/dbraw/zinc/34/39/83/1132343983.db2.gz UDDWKSHPBJDHQV-CYBMUJFWSA-N 0 1 290.407 3.992 20 0 CHADMN C[C@H]1CCC[N@H+](Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231732802 1132350785 /nfs/dbraw/zinc/35/07/85/1132350785.db2.gz GLXGWPOJAVXICU-NSHDSACASA-N 0 1 253.773 3.668 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231732802 1132350791 /nfs/dbraw/zinc/35/07/91/1132350791.db2.gz GLXGWPOJAVXICU-NSHDSACASA-N 0 1 253.773 3.668 20 0 CHADMN Cc1cc(CN[C@H](C)CSc2ccc(Cl)cc2)no1 ZINC001172872522 1132352362 /nfs/dbraw/zinc/35/23/62/1132352362.db2.gz ZNANRXKVGOSIFO-SNVBAGLBSA-N 0 1 296.823 3.907 20 0 CHADMN CC(C)Oc1ncccc1CN(C)CCCc1ccccc1 ZINC001231759187 1132355544 /nfs/dbraw/zinc/35/55/44/1132355544.db2.gz VXLNESWVAZZKBD-UHFFFAOYSA-N 0 1 298.430 3.933 20 0 CHADMN Cc1ccc(-c2ccc(CN3C[C@H](F)C[C@H]3CO)cc2)cc1 ZINC001142300758 1132363186 /nfs/dbraw/zinc/36/31/86/1132363186.db2.gz MRAQCFHZZZOIOE-MOPGFXCFSA-N 0 1 299.389 3.567 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc(OC(C)(C)C)cc1 ZINC001231808117 1132368785 /nfs/dbraw/zinc/36/87/85/1132368785.db2.gz VXDHPPTWKQKNOQ-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN CO[C@H]1CN(Cc2ccccc2-c2ccccc2)C[C@@H]1F ZINC001142331147 1132371258 /nfs/dbraw/zinc/37/12/58/1132371258.db2.gz KPENLUCBUANWKD-ROUUACIJSA-N 0 1 285.362 3.522 20 0 CHADMN Fc1ccc(-c2ccccc2CN2CCCC23COC3)cc1 ZINC001231823742 1132373997 /nfs/dbraw/zinc/37/39/97/1132373997.db2.gz PWRHBOTZYAWGJO-UHFFFAOYSA-N 0 1 297.373 3.858 20 0 CHADMN Cc1csc2sc(CN(C)C3(C)COC3)c(C)c12 ZINC001231830437 1132376653 /nfs/dbraw/zinc/37/66/53/1132376653.db2.gz BYZDFTIGGITJOG-UHFFFAOYSA-N 0 1 281.446 3.800 20 0 CHADMN CC(C)c1ccccc1CN1CCO[C@H](C(C)C)C1 ZINC001231877623 1132387285 /nfs/dbraw/zinc/38/72/85/1132387285.db2.gz MLPDSQVRFRBCSA-KRWDZBQOSA-N 0 1 261.409 3.667 20 0 CHADMN CC(C)c1ccccc1CN1CCO[C@@H](C(C)C)C1 ZINC001231877624 1132387793 /nfs/dbraw/zinc/38/77/93/1132387793.db2.gz MLPDSQVRFRBCSA-QGZVFWFLSA-N 0 1 261.409 3.667 20 0 CHADMN CN(Cc1ccccc1)Cc1ccnc(C(F)F)c1 ZINC001231886823 1132392872 /nfs/dbraw/zinc/39/28/72/1132392872.db2.gz IHBJRPXGLXOZDA-UHFFFAOYSA-N 0 1 262.303 3.651 20 0 CHADMN CN(Cc1ccc(F)cc1)Cc1ccnc(C(F)F)c1 ZINC001231887616 1132393392 /nfs/dbraw/zinc/39/33/92/1132393392.db2.gz XDUDGLNLIVTODQ-UHFFFAOYSA-N 0 1 280.293 3.790 20 0 CHADMN Cc1cc(CN2CC[C@H](c3cccc(F)c3)C2)cnc1F ZINC001231927131 1132402476 /nfs/dbraw/zinc/40/24/76/1132402476.db2.gz KHTKHQOVDDADIP-HNNXBMFYSA-N 0 1 288.341 3.658 20 0 CHADMN C[C@@H]1CCN(Cc2ncccc2C(F)(F)F)[C@@H](C)C1 ZINC001231963165 1132403351 /nfs/dbraw/zinc/40/33/51/1132403351.db2.gz SMTKQIZRABAZQJ-MNOVXSKESA-N 0 1 272.314 3.721 20 0 CHADMN FC(F)(F)c1cccnc1CN1CC[C@H]2CCC[C@@H]2C1 ZINC001231962366 1132403590 /nfs/dbraw/zinc/40/35/90/1132403590.db2.gz DDNJQXWMLMVTRY-VXGBXAGGSA-N 0 1 284.325 3.722 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cnc2F)CC1 ZINC001231996718 1132407516 /nfs/dbraw/zinc/40/75/16/1132407516.db2.gz OSXARNAVNMFDIS-MJHDQNEOSA-N 0 1 270.779 3.885 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2cc(Cl)cnc2F)CC1 ZINC001231996718 1132407520 /nfs/dbraw/zinc/40/75/20/1132407520.db2.gz OSXARNAVNMFDIS-MJHDQNEOSA-N 0 1 270.779 3.885 20 0 CHADMN Cc1cccc(CN(Cc2cnc(C)nc2)C2CC2)c1C ZINC001203122319 1132408617 /nfs/dbraw/zinc/40/86/17/1132408617.db2.gz WPIIDDVHKSKONZ-UHFFFAOYSA-N 0 1 281.403 3.566 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1ccc(C(F)(F)F)cc1C)C2 ZINC001232006326 1132410586 /nfs/dbraw/zinc/41/05/86/1132410586.db2.gz WIDRITONRHQLDU-GJZGRUSLSA-N 0 1 299.336 3.767 20 0 CHADMN Cc1cccc(F)c1Nc1cccc(N2CCN(C)CC2)c1 ZINC001212713906 1132411890 /nfs/dbraw/zinc/41/18/90/1132411890.db2.gz SOOFUDYLWAUCNR-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN CC(C)N(Cc1c(Cl)n(C)nc1C(F)F)C(C)C ZINC001232050483 1132414852 /nfs/dbraw/zinc/41/48/52/1132414852.db2.gz DQURLWCDEFOFDP-UHFFFAOYSA-N 0 1 279.762 3.630 20 0 CHADMN FC(F)(F)c1cccc(CN2CC[C@H]3CCC[C@H]3C2)n1 ZINC001232068892 1132416540 /nfs/dbraw/zinc/41/65/40/1132416540.db2.gz JMOFJOSAVQYFGO-NEPJUHHUSA-N 0 1 284.325 3.722 20 0 CHADMN FC(F)(F)c1cccc(CN2CC[C@@H]3CCC[C@H]3C2)n1 ZINC001232068894 1132417673 /nfs/dbraw/zinc/41/76/73/1132417673.db2.gz JMOFJOSAVQYFGO-RYUDHWBXSA-N 0 1 284.325 3.722 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cccc(C(F)(F)F)n1 ZINC001232071814 1132418971 /nfs/dbraw/zinc/41/89/71/1132418971.db2.gz HXDRKOLJJFLJKM-LLVKDONJSA-N 0 1 272.314 3.865 20 0 CHADMN CC[C@H]1CCCCN1Cc1cccc(C(F)(F)F)n1 ZINC001232071646 1132419066 /nfs/dbraw/zinc/41/90/66/1132419066.db2.gz LMHUUOYVALCENE-LBPRGKRZSA-N 0 1 272.314 3.865 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C(=O)[O-])[C@@H](C)C1 ZINC001142660368 1132419168 /nfs/dbraw/zinc/41/91/68/1132419168.db2.gz PROZFJINCSNWNO-QWRGUYRKSA-N 0 1 281.783 3.659 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142660043 1132419432 /nfs/dbraw/zinc/41/94/32/1132419432.db2.gz CBKFNFJIKZMHMD-PHIMTYICSA-N 0 1 281.783 3.516 20 0 CHADMN Cc1ccc(CN2Cc3ccccc3C(C)(C)C2)c(C)n1 ZINC001232084541 1132420163 /nfs/dbraw/zinc/42/01/63/1132420163.db2.gz MRYJLKOMULWBMD-UHFFFAOYSA-N 0 1 280.415 3.992 20 0 CHADMN C[C@H]1CCN1Cc1ccc2cc(Br)ccc2n1 ZINC001232102279 1132423319 /nfs/dbraw/zinc/42/33/19/1132423319.db2.gz RXSNVKAYTDMKNV-JTQLQIEISA-N 0 1 291.192 3.592 20 0 CHADMN CCCC[C@H](CC(C)C)NCc1nccc(OC(C)C)n1 ZINC001173258427 1132426190 /nfs/dbraw/zinc/42/61/90/1132426190.db2.gz UHROFYPEXXJDDY-OAHLLOKOSA-N 0 1 293.455 3.958 20 0 CHADMN CN(Cc1cc(F)ccc1OCc1ccccc1)C1CC1 ZINC001232117155 1132426337 /nfs/dbraw/zinc/42/63/37/1132426337.db2.gz TWGAOSUAWXVPPG-UHFFFAOYSA-N 0 1 285.362 3.999 20 0 CHADMN CCCC[C@H](CC(C)C)N1C[C@H](CO)CC(F)(F)C1 ZINC001173258345 1132426349 /nfs/dbraw/zinc/42/63/49/1132426349.db2.gz RUXRPAHQWFNCAH-ZIAGYGMSSA-N 0 1 277.399 3.541 20 0 CHADMN CCCC[C@@H](CC(C)C)N1C[C@@H](CO)CC(F)(F)C1 ZINC001173258342 1132426605 /nfs/dbraw/zinc/42/66/05/1132426605.db2.gz RUXRPAHQWFNCAH-KBPBESRZSA-N 0 1 277.399 3.541 20 0 CHADMN CN(Cc1c(Br)[nH]c2ccccc21)CC1CC1 ZINC001232139626 1132427793 /nfs/dbraw/zinc/42/77/93/1132427793.db2.gz IMHYEFHQYVIKRD-UHFFFAOYSA-N 0 1 293.208 3.772 20 0 CHADMN Clc1cccc2c1CN(Cc1cccc3[nH]cnc31)CC2 ZINC001142692705 1132428886 /nfs/dbraw/zinc/42/88/86/1132428886.db2.gz KSKOIFWMAMUQCM-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN COc1ccnc(Cl)c1CN1CCC2(C1)CCCCC2 ZINC001232157424 1132430035 /nfs/dbraw/zinc/43/00/35/1132430035.db2.gz TUNAPBWHPJTRLY-UHFFFAOYSA-N 0 1 294.826 3.900 20 0 CHADMN Cn1cc(C[N@H+]2CCC[C@H]2c2ccccc2F)c(C2CC2)n1 ZINC001232170755 1132430106 /nfs/dbraw/zinc/43/01/06/1132430106.db2.gz DYUVOMQWBJDMBY-KRWDZBQOSA-N 0 1 299.393 3.774 20 0 CHADMN Cn1cc(CN2CCC[C@H]2c2ccccc2F)c(C2CC2)n1 ZINC001232170755 1132430108 /nfs/dbraw/zinc/43/01/08/1132430108.db2.gz DYUVOMQWBJDMBY-KRWDZBQOSA-N 0 1 299.393 3.774 20 0 CHADMN CC[C@@H]1CC[C@@H](NC2(c3ccc(Cl)cc3)COC2)C1 ZINC001173265670 1132431768 /nfs/dbraw/zinc/43/17/68/1132431768.db2.gz IGADCUDZRCSYKG-IUODEOHRSA-N 0 1 279.811 3.734 20 0 CHADMN c1cc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)sn1 ZINC001232192688 1132433799 /nfs/dbraw/zinc/43/37/99/1132433799.db2.gz VQJLNVCWURCKGK-OAHLLOKOSA-N 0 1 272.417 3.913 20 0 CHADMN c1cc(CN2CCC(Sc3ccccc3)CC2)sn1 ZINC001232192581 1132434013 /nfs/dbraw/zinc/43/40/13/1132434013.db2.gz PTBJAOZXDLAQKF-UHFFFAOYSA-N 0 1 290.457 3.900 20 0 CHADMN CCCCN(CCC)Cc1ncc(Br)s1 ZINC001142717564 1132434627 /nfs/dbraw/zinc/43/46/27/1132434627.db2.gz ZKVLCWIOOWEANV-UHFFFAOYSA-N 0 1 291.258 3.918 20 0 CHADMN FC(F)(F)c1cc(CN2CCC3(CCCC3)C2)ccn1 ZINC001232241691 1132442591 /nfs/dbraw/zinc/44/25/91/1132442591.db2.gz RXBIKCRIWMDIOG-UHFFFAOYSA-N 0 1 284.325 3.867 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cccc(COC)n1 ZINC001232257305 1132445327 /nfs/dbraw/zinc/44/53/27/1132445327.db2.gz PGBPJZVQAAOUMI-LJQANCHMSA-N 0 1 296.414 3.737 20 0 CHADMN CCSC[C@@H](C)N1CCN(c2ccccc2Cl)CC1 ZINC001173306629 1132447985 /nfs/dbraw/zinc/44/79/85/1132447985.db2.gz XBPYOSRLJZLUET-CYBMUJFWSA-N 0 1 298.883 3.604 20 0 CHADMN CCOc1ncc(CN2CCC[C@@H]2c2ccncc2)cc1C ZINC001232306208 1132451018 /nfs/dbraw/zinc/45/10/18/1132451018.db2.gz RBJFKZFNNWBZOU-QGZVFWFLSA-N 0 1 297.402 3.521 20 0 CHADMN Cc1sc(CN2CC3CC(C3)C2)cc1Br ZINC001232295519 1132451273 /nfs/dbraw/zinc/45/12/73/1132451273.db2.gz ICKZWXHMXLCKKN-UHFFFAOYSA-N 0 1 286.238 3.661 20 0 CHADMN CCSC[C@@H](C)N(C)Cc1cccc(F)c1F ZINC001173313283 1132451648 /nfs/dbraw/zinc/45/16/48/1132451648.db2.gz AILICPXXERYUPC-SNVBAGLBSA-N 0 1 259.365 3.538 20 0 CHADMN CCOc1ccc(CN(C)C/C=C/c2ccccc2)c(C)n1 ZINC001232311171 1132452676 /nfs/dbraw/zinc/45/26/76/1132452676.db2.gz SIYFFYVCUXIPOI-DHZHZOJOSA-N 0 1 296.414 3.934 20 0 CHADMN CCOc1ccc(CN2CCc3ccccc3[C@@H]2C)c(C)n1 ZINC001232307984 1132453069 /nfs/dbraw/zinc/45/30/69/1132453069.db2.gz LGGSXZBYBRAIDG-HNNXBMFYSA-N 0 1 296.414 3.908 20 0 CHADMN CC[C@@H]1CC[C@H](n2c(-c3ccccc3)cnc2CN)C1 ZINC001173278258 1132453454 /nfs/dbraw/zinc/45/34/54/1132453454.db2.gz YFKIZXQQWAGLRR-HIFRSBDPSA-N 0 1 269.392 3.760 20 0 CHADMN Cc1cc(Br)ncc1CN1CCCCCCC1 ZINC001232319951 1132453971 /nfs/dbraw/zinc/45/39/71/1132453971.db2.gz PJPPAUCXJXVSJS-UHFFFAOYSA-N 0 1 297.240 3.919 20 0 CHADMN COc1ccc(CN2Cc3ccccc3[C@H](C)C2)c(C)n1 ZINC001232331106 1132455634 /nfs/dbraw/zinc/45/56/34/1132455634.db2.gz KBWRMUDVWGYMGR-CYBMUJFWSA-N 0 1 282.387 3.518 20 0 CHADMN COc1cc(C)c(CN2Cc3ccccc3C(C)(C)C2)cn1 ZINC001232353098 1132459529 /nfs/dbraw/zinc/45/95/29/1132459529.db2.gz HGCZXGAIDKMHCI-UHFFFAOYSA-N 0 1 296.414 3.692 20 0 CHADMN COc1cc(CN2CCC23CCCC3)c(OC)cc1Cl ZINC001232371085 1132460604 /nfs/dbraw/zinc/46/06/04/1132460604.db2.gz BTGNYFDJKCPQQQ-UHFFFAOYSA-N 0 1 295.810 3.876 20 0 CHADMN CCc1csc(CN2CCC(C(C)C)CC2)n1 ZINC001232475552 1132476319 /nfs/dbraw/zinc/47/63/19/1132476319.db2.gz OSHZVIYCVNUDAJ-UHFFFAOYSA-N 0 1 252.427 3.574 20 0 CHADMN Cc1c(F)cc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)cc1F ZINC001232421703 1132467364 /nfs/dbraw/zinc/46/73/64/1132467364.db2.gz NUCKJZIWVOFESP-KBPBESRZSA-N 0 1 265.347 3.895 20 0 CHADMN C[N@@H+](Cc1cn2cc(F)ccc2n1)[C@@H]1CCc2ccccc21 ZINC001232414443 1132467868 /nfs/dbraw/zinc/46/78/68/1132467868.db2.gz AOJVMSQPVPYHDP-QGZVFWFLSA-N 0 1 295.361 3.593 20 0 CHADMN CN(Cc1cn2cc(F)ccc2n1)[C@@H]1CCc2ccccc21 ZINC001232414443 1132467871 /nfs/dbraw/zinc/46/78/71/1132467871.db2.gz AOJVMSQPVPYHDP-QGZVFWFLSA-N 0 1 295.361 3.593 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N(C)Cc1n[nH]c2c1CCC2 ZINC001232429385 1132468658 /nfs/dbraw/zinc/46/86/58/1132468658.db2.gz NPIKUXCYUNWLRN-LLVKDONJSA-N 0 1 289.810 3.745 20 0 CHADMN c1ccc([C@@H]2CCCCN2Cc2[nH]nc3c2CCC3)cc1 ZINC001232428605 1132470482 /nfs/dbraw/zinc/47/04/82/1132470482.db2.gz OJCSWEINUSXTCU-SFHVURJKSA-N 0 1 281.403 3.626 20 0 CHADMN Cc1noc(C2(N[C@H]3CCCC4(CCCCC4)C3)CC2)n1 ZINC001173344115 1132470530 /nfs/dbraw/zinc/47/05/30/1132470530.db2.gz LNBPNZLPMWRZPL-AWEZNQCLSA-N 0 1 289.423 3.850 20 0 CHADMN FC(F)(F)c1ccc(CN2CC[C@H](c3cccnc3)C2)o1 ZINC001232443593 1132470800 /nfs/dbraw/zinc/47/08/00/1132470800.db2.gz CVRFDFPLPBPMRD-LBPRGKRZSA-N 0 1 296.292 3.683 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(C(F)(F)F)o2)[C@H](C)C1 ZINC001232443694 1132471462 /nfs/dbraw/zinc/47/14/62/1132471462.db2.gz BSUHLOHVBPBBPU-NXEZZACHSA-N 0 1 261.287 3.919 20 0 CHADMN Cn1ncc2c1CCN([C@H]1CCCC3(CCCCC3)C1)C2 ZINC001173348629 1132474220 /nfs/dbraw/zinc/47/42/20/1132474220.db2.gz JWUMGVGBNPIKPF-INIZCTEOSA-N 0 1 287.451 3.671 20 0 CHADMN CCc1csc(CN2CC[C@H](c3cccc(F)c3)C2)n1 ZINC001232475276 1132475149 /nfs/dbraw/zinc/47/51/49/1132475149.db2.gz LNMPYFQFJNYPPI-ZDUSSCGKSA-N 0 1 290.407 3.834 20 0 CHADMN Fc1ccnc(CN2CC[C@@H](c3ccccc3Cl)C2)c1 ZINC001232496869 1132479026 /nfs/dbraw/zinc/47/90/26/1132479026.db2.gz WXEMJTANJYVRQS-GFCCVEGCSA-N 0 1 290.769 3.864 20 0 CHADMN COc1ccc(CN(C)Cc2c(C)cccc2F)cc1 ZINC001232488944 1132480170 /nfs/dbraw/zinc/48/01/70/1132480170.db2.gz HPOQUFZRQPEHRR-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN Cc1cccc(F)c1CN1CCCC[C@@](C)(F)C1 ZINC001232491240 1132480240 /nfs/dbraw/zinc/48/02/40/1132480240.db2.gz XNAORIRQEGAOII-OAHLLOKOSA-N 0 1 253.336 3.848 20 0 CHADMN Cc1c(Br)cncc1CN1CC[C@H](C)C[C@@H]1C ZINC001232530561 1132483449 /nfs/dbraw/zinc/48/34/49/1132483449.db2.gz AABJANPEJHQPIR-QWRGUYRKSA-N 0 1 297.240 3.773 20 0 CHADMN COc1cc(C)c(CN2CCc3c(O)cccc3C2)c(C)c1 ZINC001142933508 1132483675 /nfs/dbraw/zinc/48/36/75/1132483675.db2.gz RXQFFPPGANMZPL-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN Cc1c(Br)cncc1CN1CCC(C)(C)CC1 ZINC001232533789 1132484092 /nfs/dbraw/zinc/48/40/92/1132484092.db2.gz VJNVRUAGWPDXOC-UHFFFAOYSA-N 0 1 297.240 3.775 20 0 CHADMN Cc1c(Br)cncc1CN1CCCC[C@H](C)C1 ZINC001232530009 1132484116 /nfs/dbraw/zinc/48/41/16/1132484116.db2.gz XPYITRPRBGVBBZ-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1occc1Br ZINC001143117005 1132504028 /nfs/dbraw/zinc/50/40/28/1132504028.db2.gz OWSAEDLELNPQFD-UWVGGRQHSA-N 0 1 272.186 3.805 20 0 CHADMN CC[N@@H+](Cc1ccc(C)cc1)Cc1cccn2ccnc12 ZINC001142959767 1132487563 /nfs/dbraw/zinc/48/75/63/1132487563.db2.gz AGRGDJSHZSKFOY-UHFFFAOYSA-N 0 1 279.387 3.665 20 0 CHADMN CCOc1ccnc(CN2CCC3(CC[C@@H](F)C3)CC2)c1 ZINC001232584489 1132489353 /nfs/dbraw/zinc/48/93/53/1132489353.db2.gz FYFDNAGBYWIYGN-CQSZACIVSA-N 0 1 292.398 3.585 20 0 CHADMN CCOc1ccnc(CN2CCc3ccccc3[C@H]2CC)c1 ZINC001232588343 1132489560 /nfs/dbraw/zinc/48/95/60/1132489560.db2.gz RWVNJJAPNWJZAA-LJQANCHMSA-N 0 1 296.414 3.990 20 0 CHADMN c1ccc(COc2ccnc(CN3CCC[C@@H]4C[C@@H]43)c2)cc1 ZINC001232590417 1132491477 /nfs/dbraw/zinc/49/14/77/1132491477.db2.gz WEWBPAUFCBBLBY-APWZRJJASA-N 0 1 294.398 3.645 20 0 CHADMN COc1cccc(C)c1CN1Cc2cccc(C)c2C1 ZINC001232619547 1132496391 /nfs/dbraw/zinc/49/63/91/1132496391.db2.gz DCCBWOYGPOQRHU-UHFFFAOYSA-N 0 1 267.372 3.828 20 0 CHADMN COc1cccc(C)c1CN(C)Cc1ccccc1 ZINC001232621202 1132497210 /nfs/dbraw/zinc/49/72/10/1132497210.db2.gz CYIRFWVVLPKUCP-UHFFFAOYSA-N 0 1 255.361 3.636 20 0 CHADMN CCc1ccc(C(C)(C)c2nc([C@@H](N)C(C)C)no2)cc1 ZINC000843152715 1132497847 /nfs/dbraw/zinc/49/78/47/1132497847.db2.gz QXYKYRDOJPYZOZ-AWEZNQCLSA-N 0 1 287.407 3.614 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2ccc(Oc3ccccc3)o2)n1 ZINC000843152118 1132497877 /nfs/dbraw/zinc/49/78/77/1132497877.db2.gz CQUSSIVIIFUQGH-AWEZNQCLSA-N 0 1 299.330 3.778 20 0 CHADMN CN(Cc1ccccn1)Cc1cccc2c1CCCC2 ZINC001232634670 1132498300 /nfs/dbraw/zinc/49/83/00/1132498300.db2.gz RNUXOAUXLUDHDW-UHFFFAOYSA-N 0 1 266.388 3.592 20 0 CHADMN CC[C@H](Oc1ccccc1C)c1nc([C@H](N)C(C)C)no1 ZINC000843151381 1132498327 /nfs/dbraw/zinc/49/83/27/1132498327.db2.gz YVWJGULWJWLDHP-GXTWGEPZSA-N 0 1 289.379 3.564 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H](C)Oc2ccccc2Cl)n1 ZINC000843151963 1132498364 /nfs/dbraw/zinc/49/83/64/1132498364.db2.gz IPFGDONZKPQLJG-SKDRFNHKSA-N 0 1 295.770 3.519 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2cc3cccc(Cl)c3o2)n1 ZINC000843152730 1132498615 /nfs/dbraw/zinc/49/86/15/1132498615.db2.gz RAYUQGFDKRSOFP-NSHDSACASA-N 0 1 291.738 3.792 20 0 CHADMN CC(C)[C@@H](N)c1noc(C[C@H](c2ccccc2)C(C)C)n1 ZINC000843148786 1132499173 /nfs/dbraw/zinc/49/91/73/1132499173.db2.gz FAZHNNQISDNZPN-GOEBONIOSA-N 0 1 287.407 3.708 20 0 CHADMN Cc1nc(CN2CCCC[C@H](C)C2)ccc1Br ZINC001232661867 1132502159 /nfs/dbraw/zinc/50/21/59/1132502159.db2.gz MDPMOVUTZFGKKF-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc([C@@H](C)C(C)(C)C)no1 ZINC000843190348 1132502197 /nfs/dbraw/zinc/50/21/97/1132502197.db2.gz YFQGMASXBPSPHD-GHMZBOCLSA-N 0 1 267.417 3.916 20 0 CHADMN CCN(Cc1ccccc1F)Cc1ccccc1NC ZINC001232673052 1132506187 /nfs/dbraw/zinc/50/61/87/1132506187.db2.gz QPXJFYDXJNWLDD-UHFFFAOYSA-N 0 1 272.367 3.890 20 0 CHADMN CC1CC(N(C)Cc2ccc(F)c(F)c2Cl)C1 ZINC001232873898 1132533932 /nfs/dbraw/zinc/53/39/32/1132533932.db2.gz KACUYFJRXBBFIE-UHFFFAOYSA-N 0 1 259.727 3.849 20 0 CHADMN C[C@H]1CN(C2CCC3(CCc4ccccc43)CC2)CCC1=O ZINC001173687333 1132509220 /nfs/dbraw/zinc/50/92/20/1132509220.db2.gz FQFGVHSQWWKEAI-FVWXCPNNSA-N 0 1 297.442 3.724 20 0 CHADMN COc1cc(C)cc(CN2CCc3ccsc3C2)c1 ZINC001143157096 1132510162 /nfs/dbraw/zinc/51/01/62/1132510162.db2.gz ZLISXBCZRRVVRL-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN O=c1nc(CC[C@H]2CC2(Cl)Cl)[nH]c2ccsc21 ZINC000843272816 1132512033 /nfs/dbraw/zinc/51/20/33/1132512033.db2.gz OCFMOILWUMJTDJ-LURJTMIESA-N 0 1 289.187 3.523 20 0 CHADMN Fc1ccc2c(c1)C[N@H+](Cc1cccc3ncsc31)CC2 ZINC001232735408 1132512138 /nfs/dbraw/zinc/51/21/38/1132512138.db2.gz LSDREKVNIAWVBQ-UHFFFAOYSA-N 0 1 298.386 3.994 20 0 CHADMN Fc1ccc2c(c1)CN(Cc1cccc3ncsc31)CC2 ZINC001232735408 1132512145 /nfs/dbraw/zinc/51/21/45/1132512145.db2.gz LSDREKVNIAWVBQ-UHFFFAOYSA-N 0 1 298.386 3.994 20 0 CHADMN c1c2cccnc2[nH]c1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC001143222728 1132521015 /nfs/dbraw/zinc/52/10/15/1132521015.db2.gz AMGMTELVSYHZLR-BBRMVZONSA-N 0 1 269.392 3.718 20 0 CHADMN c1c2cccnc2[nH]c1CN1CCC[C@H]2CCCC[C@@H]21 ZINC001143222729 1132521630 /nfs/dbraw/zinc/52/16/30/1132521630.db2.gz AMGMTELVSYHZLR-CJNGLKHVSA-N 0 1 269.392 3.718 20 0 CHADMN CCCn1cnc(CN2CCC[C@H]2c2ccccc2C)c1 ZINC001232798367 1132524007 /nfs/dbraw/zinc/52/40/07/1132524007.db2.gz ZOBIYSPULGVNAD-SFHVURJKSA-N 0 1 283.419 3.939 20 0 CHADMN COc1cc(O)cc(CN(Cc2ccccc2)C2CC2)c1 ZINC001232806957 1132524876 /nfs/dbraw/zinc/52/48/76/1132524876.db2.gz LNGWDNIOGROERZ-UHFFFAOYSA-N 0 1 283.371 3.565 20 0 CHADMN CCOc1ccc(CN2CCC[C@H](C)[C@H]2C)c(F)c1F ZINC001143276822 1132528208 /nfs/dbraw/zinc/52/82/08/1132528208.db2.gz VRNRXJDZGAMZPW-NWDGAFQWSA-N 0 1 283.362 3.984 20 0 CHADMN CCOc1ccc(CN2CCC3(CCC3)C2)c(F)c1F ZINC001143278365 1132528693 /nfs/dbraw/zinc/52/86/93/1132528693.db2.gz GDAWZNPVFCNMLF-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN CCOc1ccc(CN2CCC[C@H](C)[C@@H]2C)c(F)c1F ZINC001143276823 1132529086 /nfs/dbraw/zinc/52/90/86/1132529086.db2.gz VRNRXJDZGAMZPW-RYUDHWBXSA-N 0 1 283.362 3.984 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1cc(Br)co1 ZINC001232855434 1132530170 /nfs/dbraw/zinc/53/01/70/1132530170.db2.gz CBVAMWGFKHNOKK-GFCCVEGCSA-N 0 1 272.186 3.663 20 0 CHADMN CC1(CC(F)F)CN(Cc2cncc3ccccc32)C1 ZINC000843424873 1132531886 /nfs/dbraw/zinc/53/18/86/1132531886.db2.gz OCNRSETVCPZZEG-UHFFFAOYSA-N 0 1 276.330 3.712 20 0 CHADMN Cc1ccccc1[C@@H](N)C(=O)N(C)c1ccc(C(C)C)cc1 ZINC000843444966 1132535207 /nfs/dbraw/zinc/53/52/07/1132535207.db2.gz NSFPOAYWEACGPK-GOSISDBHSA-N 0 1 296.414 3.781 20 0 CHADMN COc1c(F)ccc(CN(C)CCc2ccccc2)c1F ZINC001143304492 1132535636 /nfs/dbraw/zinc/53/56/36/1132535636.db2.gz RTKQXWURNSPOBT-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN CN(CCC1CC1)Cc1ccc(F)c(F)c1Cl ZINC001232877980 1132536411 /nfs/dbraw/zinc/53/64/11/1132536411.db2.gz VIIHVDKGONGMHA-UHFFFAOYSA-N 0 1 259.727 3.850 20 0 CHADMN FC[C@H]1CCCN1Cc1ccc(-c2cccc(F)c2)nc1 ZINC001232888007 1132537298 /nfs/dbraw/zinc/53/72/98/1132537298.db2.gz UZXPXGKNAIBNLO-MRXNPFEDSA-N 0 1 288.341 3.822 20 0 CHADMN Cc1cc(O)cc(CN2CCC[C@@H]2c2ccc(C)nc2)c1 ZINC001232886267 1132538386 /nfs/dbraw/zinc/53/83/86/1132538386.db2.gz QMLSOAPDMCXTEN-GOSISDBHSA-N 0 1 282.387 3.741 20 0 CHADMN [O-]c1c(F)ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)c1F ZINC001232931626 1132544694 /nfs/dbraw/zinc/54/46/94/1132544694.db2.gz POIKANXMBGXOAJ-ZDUSSCGKSA-N 0 1 289.325 3.660 20 0 CHADMN Cc1cccc2c1CCN(Cc1ccc3ncoc3c1)C2 ZINC001232937831 1132545822 /nfs/dbraw/zinc/54/58/22/1132545822.db2.gz IVQLOPBJNXJWLM-UHFFFAOYSA-N 0 1 278.355 3.695 20 0 CHADMN Cc1ccccc1[C@H](C)N(C)C(=O)c1cccc2[nH]cnc21 ZINC001149917216 1132548132 /nfs/dbraw/zinc/54/81/32/1132548132.db2.gz SHBVWGAYCIGJJR-ZDUSSCGKSA-N 0 1 293.370 3.705 20 0 CHADMN CCN(Cc1ccc2ncoc2c1)Cc1ccccc1F ZINC001232944824 1132548674 /nfs/dbraw/zinc/54/86/74/1132548674.db2.gz GEFVTQRXGODSHC-UHFFFAOYSA-N 0 1 284.334 3.989 20 0 CHADMN CCN(Cc1ccccc1)Cc1ccc(OC(F)F)nc1 ZINC001232952144 1132549371 /nfs/dbraw/zinc/54/93/71/1132549371.db2.gz GJARACIOGHJYDW-UHFFFAOYSA-N 0 1 292.329 3.705 20 0 CHADMN COc1cc(Cl)cc(F)c1CN1C[C@H]2CCC[C@@H]2C1 ZINC001233002624 1132561307 /nfs/dbraw/zinc/56/13/07/1132561307.db2.gz ZTLCJFULYPOSPM-GHMZBOCLSA-N 0 1 283.774 3.720 20 0 CHADMN Cc1cc(Nc2c(F)cccc2F)n(-c2ccncc2)n1 ZINC001173859912 1132561773 /nfs/dbraw/zinc/56/17/73/1132561773.db2.gz HXLGHIHDHPBFLY-UHFFFAOYSA-N 0 1 286.285 3.598 20 0 CHADMN Cc1cc(C)c(CN2CCSc3ccccc3C2)cn1 ZINC001233013110 1132561860 /nfs/dbraw/zinc/56/18/60/1132561860.db2.gz SWRZACUOJORVTA-UHFFFAOYSA-N 0 1 284.428 3.806 20 0 CHADMN Clc1sccc1CN1CC[C@@H](COCC2CC2)C1 ZINC001233058598 1132570372 /nfs/dbraw/zinc/57/03/72/1132570372.db2.gz PWRJXEKCLQUHRQ-GFCCVEGCSA-N 0 1 285.840 3.650 20 0 CHADMN Oc1cccc(CN2CC[C@H](c3cccc(F)c3)C2)c1F ZINC001233058293 1132570762 /nfs/dbraw/zinc/57/07/62/1132570762.db2.gz VXTMWQAURWBBOA-ZDUSSCGKSA-N 0 1 289.325 3.660 20 0 CHADMN Fc1ccc2c(c1)n[nH]c2CN1CCC[C@@H]2CCCC[C@@H]21 ZINC001233122596 1132571660 /nfs/dbraw/zinc/57/16/60/1132571660.db2.gz BXYCFQKPCPERNC-SJCJKPOMSA-N 0 1 287.382 3.857 20 0 CHADMN Fc1ccc2c(c1)n[nH]c2CN1C2CCCC1CCC2 ZINC001233128502 1132574636 /nfs/dbraw/zinc/57/46/36/1132574636.db2.gz MLSSIGUXOOKHPI-UHFFFAOYSA-N 0 1 273.355 3.609 20 0 CHADMN Cc1ccccc1CN(C)Cc1cnc(C)c(C)c1 ZINC001233163588 1132577062 /nfs/dbraw/zinc/57/70/62/1132577062.db2.gz JMIHIEHAHSMVEN-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN CC(C)Oc1ncc(Cl)cc1CN(C)CCC1CC1 ZINC001233165591 1132577345 /nfs/dbraw/zinc/57/73/45/1132577345.db2.gz HTKIBUDAGFYFFC-UHFFFAOYSA-N 0 1 282.815 3.754 20 0 CHADMN CC(C)Oc1ncc(Cl)cc1CN(C)C1CC(C)C1 ZINC001233166130 1132577577 /nfs/dbraw/zinc/57/75/77/1132577577.db2.gz BISPKXZRTYCTDD-UHFFFAOYSA-N 0 1 282.815 3.753 20 0 CHADMN CCCCC[C@H](C(=O)N1CCN(C)[C@@H](C(C)C)C1)C(C)C ZINC001152080397 1132578015 /nfs/dbraw/zinc/57/80/15/1132578015.db2.gz AJBHFUPOJACCOM-DLBZAZTESA-N 0 1 296.499 3.638 20 0 CHADMN O=C(NCCCCC1CCCCC1)c1ccc2cncn2c1 ZINC001152208706 1132578858 /nfs/dbraw/zinc/57/88/58/1132578858.db2.gz BQCJEHFGIJHXIU-UHFFFAOYSA-N 0 1 299.418 3.815 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1F ZINC000132368383 1132581212 /nfs/dbraw/zinc/58/12/12/1132581212.db2.gz OMNYLLJFZWZPIM-CHWSQXEVSA-N 0 1 281.346 3.683 20 0 CHADMN CN(CCc1ccccn1)Cc1ccc(Cl)c(F)c1F ZINC001233211264 1132581327 /nfs/dbraw/zinc/58/13/27/1132581327.db2.gz MWFQHHOSMQQJNC-UHFFFAOYSA-N 0 1 296.748 3.688 20 0 CHADMN CCCN(CCC)Cc1cc(O)ccc1Br ZINC000132499444 1132583007 /nfs/dbraw/zinc/58/30/07/1132583007.db2.gz VUDRAOIVXPLIMZ-UHFFFAOYSA-N 0 1 286.213 3.777 20 0 CHADMN CCO[C@H](C(=O)Nc1cccc(Cl)c1O)C1CCCC1 ZINC001152996266 1132589367 /nfs/dbraw/zinc/58/93/67/1132589367.db2.gz YBGIUJWADXXNGP-AWEZNQCLSA-N 0 1 297.782 3.579 20 0 CHADMN FC[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233259500 1132590782 /nfs/dbraw/zinc/59/07/82/1132590782.db2.gz VQCWUYNQMADJGB-GFCCVEGCSA-N 0 1 293.329 3.699 20 0 CHADMN [S-]c1ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC001233262756 1132593398 /nfs/dbraw/zinc/59/33/98/1132593398.db2.gz TVPVMWRBSBNHLX-HUUCEWRRSA-N 0 1 261.434 3.987 20 0 CHADMN Cc1cc(CN2CCC(c3ccccc3F)CC2)sn1 ZINC001233311680 1132597584 /nfs/dbraw/zinc/59/75/84/1132597584.db2.gz DAFAJKANBZXDFK-UHFFFAOYSA-N 0 1 290.407 3.970 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1ncccc1OC ZINC001206650656 1132600981 /nfs/dbraw/zinc/60/09/81/1132600981.db2.gz TVCYFUCMJIMORI-INIZCTEOSA-N 0 1 270.376 3.673 20 0 CHADMN COc1cccc([C@H]2CCCN2Cc2sncc2C)c1 ZINC001233321435 1132601126 /nfs/dbraw/zinc/60/11/26/1132601126.db2.gz OIZPXYHZTWDZJI-OAHLLOKOSA-N 0 1 288.416 3.797 20 0 CHADMN COc1cc(F)c(CN2CC[C@@H](C)C[C@@H]2C)cc1F ZINC001233343671 1132605766 /nfs/dbraw/zinc/60/57/66/1132605766.db2.gz VZGRPOFSKRPRRW-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN COc1cc(F)c(CN2CCC(C)(C)CC2)cc1F ZINC001233343677 1132606634 /nfs/dbraw/zinc/60/66/34/1132606634.db2.gz WDVFGSBEAPIDQR-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN CSc1cccc(Cl)c1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001233351953 1132607459 /nfs/dbraw/zinc/60/74/59/1132607459.db2.gz MDOSPDRFVAPATF-OUJBWJOFSA-N 0 1 285.815 3.994 20 0 CHADMN Clc1cccc2ncc(CN3CCC[C@H]4CCC[C@@H]43)n21 ZINC001233359417 1132609794 /nfs/dbraw/zinc/60/97/94/1132609794.db2.gz VWIHHXKWKUFZOL-OCCSQVGLSA-N 0 1 289.810 3.752 20 0 CHADMN Clc1cccc2ncc(CN3CCC[C@H]4CCC[C@H]43)n21 ZINC001233359418 1132610053 /nfs/dbraw/zinc/61/00/53/1132610053.db2.gz VWIHHXKWKUFZOL-TZMCWYRMSA-N 0 1 289.810 3.752 20 0 CHADMN CCCC1CCN(Cc2cn3ccc(Cl)cc3n2)CC1 ZINC001233390713 1132615479 /nfs/dbraw/zinc/61/54/79/1132615479.db2.gz HDQQMNJQECJHOR-UHFFFAOYSA-N 0 1 291.826 4.000 20 0 CHADMN CC(C)Oc1ccnc(NCc2nc3ccccc3o2)c1 ZINC001154650077 1132620837 /nfs/dbraw/zinc/62/08/37/1132620837.db2.gz KTBDHIUARKXPFW-UHFFFAOYSA-N 0 1 283.331 3.622 20 0 CHADMN CC[C@@H]1CCCCN1Cc1c[nH]c(Br)c1 ZINC001233438008 1132622127 /nfs/dbraw/zinc/62/21/27/1132622127.db2.gz XNGIUIFNWJYKIV-LLVKDONJSA-N 0 1 271.202 3.542 20 0 CHADMN Cc1cnc(NCc2cccc(OC(F)F)c2)cc1C ZINC001154670947 1132622308 /nfs/dbraw/zinc/62/23/08/1132622308.db2.gz VZCIKXSMDXZNCI-UHFFFAOYSA-N 0 1 278.302 3.912 20 0 CHADMN CC(=O)c1cc(Cl)c(Nc2ccncc2)c(Cl)c1 ZINC001173883208 1132623551 /nfs/dbraw/zinc/62/35/51/1132623551.db2.gz BUBVFKYFQSLOLN-UHFFFAOYSA-N 0 1 281.142 3.757 20 0 CHADMN CN(Cc1cccnc1)Cc1ccc2nc(Cl)ccc2c1 ZINC001233442225 1132623628 /nfs/dbraw/zinc/62/36/28/1132623628.db2.gz JVPQADQQCALXNB-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN CCOc1cc(Nc2ccncc2)cc(C(F)(F)F)c1 ZINC001173884243 1132624815 /nfs/dbraw/zinc/62/48/15/1132624815.db2.gz DUQHLMVLFCOKET-UHFFFAOYSA-N 0 1 282.265 3.665 20 0 CHADMN CN(C(=O)OC(C)(C)C)c1ccc(Nc2ccncc2)cc1 ZINC001173884784 1132624924 /nfs/dbraw/zinc/62/49/24/1132624924.db2.gz RATIUUGHVOPFKX-UHFFFAOYSA-N 0 1 299.374 3.618 20 0 CHADMN c1ccc2c(c1)Cc1cc(Nc3ccncc3)ccc1-2 ZINC001173883643 1132625549 /nfs/dbraw/zinc/62/55/49/1132625549.db2.gz VZMSRSILZFEDAB-UHFFFAOYSA-N 0 1 258.324 3.818 20 0 CHADMN C[C@H]1CCC[C@]1(C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC001155070888 1132639390 /nfs/dbraw/zinc/63/93/90/1132639390.db2.gz ZNYYOWJWLORFLI-RTHLEPHNSA-N 0 1 285.746 3.950 20 0 CHADMN O=c1cc(Cl)c(O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n[nH]1 ZINC001233585253 1132641699 /nfs/dbraw/zinc/64/16/99/1132641699.db2.gz BXCPVJZKNVESAJ-GARJFASQSA-N 0 1 282.771 3.573 20 0 CHADMN O=c1cc(Cl)c(O[C@H]2Cc3cccc4cccc2c34)n[nH]1 ZINC001233587796 1132642257 /nfs/dbraw/zinc/64/22/57/1132642257.db2.gz ZXIXNMBNFNNEKO-ZDUSSCGKSA-N 0 1 298.729 3.665 20 0 CHADMN C[C@H](Oc1n[nH]c(=O)cc1Cl)c1csc(Cl)c1 ZINC001233587443 1132642641 /nfs/dbraw/zinc/64/26/41/1132642641.db2.gz RJWLTLTVFRVVKL-YFKPBYRVSA-N 0 1 291.159 3.691 20 0 CHADMN CCC[C@@H]1CCCC[C@H]1Oc1n[nH]c(=O)cc1Cl ZINC001233590153 1132643109 /nfs/dbraw/zinc/64/31/09/1132643109.db2.gz OFAZLHFGCKNQTD-MWLCHTKSSA-N 0 1 270.760 3.573 20 0 CHADMN COc1cccc2c(NC(=N)C(C)(C)C)nccc12 ZINC001155181781 1132646569 /nfs/dbraw/zinc/64/65/69/1132646569.db2.gz PYUCHISHMCZCBC-UHFFFAOYSA-N 0 1 257.337 3.679 20 0 CHADMN CC(C)(C)C(=N)Nc1ccc(-c2ccncc2)cn1 ZINC001155180398 1132646736 /nfs/dbraw/zinc/64/67/36/1132646736.db2.gz VWCKRKAQGYPWRM-UHFFFAOYSA-N 0 1 254.337 3.579 20 0 CHADMN CC(C)(C)[C@H]1CC[C@@H](NC(=O)c2cccc3cncn32)CC1 ZINC001155805935 1132667131 /nfs/dbraw/zinc/66/71/31/1132667131.db2.gz QQWWRPMDAKFTKR-OKILXGFUSA-N 0 1 299.418 3.669 20 0 CHADMN Clc1nc(Br)ccc1N=C1CCCC1 ZINC001173997252 1132669444 /nfs/dbraw/zinc/66/94/44/1132669444.db2.gz VGVSYWOLJROZOR-UHFFFAOYSA-N 0 1 273.561 3.977 20 0 CHADMN Cc1cnc(NCc2cc3ccccc3n2C)cc1C ZINC001156016012 1132678187 /nfs/dbraw/zinc/67/81/87/1132678187.db2.gz KRFJHFYCFWFMKD-UHFFFAOYSA-N 0 1 265.360 3.802 20 0 CHADMN CCOc1ccnc(NCCCOc2ccccc2C)c1 ZINC001156034478 1132679589 /nfs/dbraw/zinc/67/95/89/1132679589.db2.gz NNEWYZWAPHGKJO-UHFFFAOYSA-N 0 1 286.375 3.670 20 0 CHADMN CC[C@H]1CCCN1Cc1ccc(Br)c(F)c1 ZINC000722034673 1132681457 /nfs/dbraw/zinc/68/14/57/1132681457.db2.gz YFLORPQZBOHQST-NSHDSACASA-N 0 1 286.188 3.963 20 0 CHADMN CNc1ccc(CNc2nccc3cc(OC)ccc32)cc1 ZINC001156135310 1132683660 /nfs/dbraw/zinc/68/36/60/1132683660.db2.gz WMOAMPUAEDADAE-UHFFFAOYSA-N 0 1 293.370 3.897 20 0 CHADMN CC(C)(C)c1cccc(F)c1O[C@@H]1CN2CCC1CC2 ZINC001233830331 1132686856 /nfs/dbraw/zinc/68/68/56/1132686856.db2.gz JFZMCARDCCSLSL-OAHLLOKOSA-N 0 1 277.383 3.596 20 0 CHADMN COc1ccnc(NC2CCC(C(F)(F)F)CC2)c1 ZINC001156416200 1132693262 /nfs/dbraw/zinc/69/32/62/1132693262.db2.gz YNTLJDMUJKZLOP-UHFFFAOYSA-N 0 1 274.286 3.623 20 0 CHADMN Cc1ccc(Nc2ccc(N3CCN(C)CC3)cc2)cc1F ZINC001174020500 1132693939 /nfs/dbraw/zinc/69/39/39/1132693939.db2.gz QVXPCKYDSYKMBB-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN Cc1cc2ccccc2c(N2CC(C)(C)OC(C)(C)C2)n1 ZINC001156458353 1132697326 /nfs/dbraw/zinc/69/73/26/1132697326.db2.gz LGEWZVBRLSZQMN-UHFFFAOYSA-N 0 1 284.403 3.937 20 0 CHADMN Cc1cnc(NCc2nccc3ccccc32)cc1C ZINC001156870282 1132712771 /nfs/dbraw/zinc/71/27/71/1132712771.db2.gz WUGZPWQUUNPEJC-UHFFFAOYSA-N 0 1 263.344 3.859 20 0 CHADMN c1cc(CNc2ccc3c(n2)CCCC3)cc2c1OCC2 ZINC001156968545 1132717782 /nfs/dbraw/zinc/71/77/82/1132717782.db2.gz PCSSHLKDYLCTSK-UHFFFAOYSA-N 0 1 280.371 3.507 20 0 CHADMN Cc1cc2ccccc2c(N(C(=N)N)c2ccc(F)cc2)n1 ZINC001157229502 1132725596 /nfs/dbraw/zinc/72/55/96/1132725596.db2.gz BXJOANOLHBYLTG-UHFFFAOYSA-N 0 1 294.333 3.714 20 0 CHADMN Cc1cnc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1C ZINC001157301319 1132726341 /nfs/dbraw/zinc/72/63/41/1132726341.db2.gz DYVORFIINWLMLC-SWLSCSKDSA-N 0 1 274.314 3.945 20 0 CHADMN Cc1ccc(F)c(Nc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001174111868 1132727074 /nfs/dbraw/zinc/72/70/74/1132727074.db2.gz KZLZSSLRSINBRU-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc3cncn3c2)C1(C)C ZINC001157388322 1132730668 /nfs/dbraw/zinc/73/06/68/1132730668.db2.gz FARBNHUAWPROHS-GJZGRUSLSA-N 0 1 283.375 3.511 20 0 CHADMN O=C(CCCC1CCCC1)Nc1ccc2cncn2c1 ZINC001157397521 1132730972 /nfs/dbraw/zinc/73/09/72/1132730972.db2.gz YQTVYHIUBMYWRX-UHFFFAOYSA-N 0 1 271.364 3.633 20 0 CHADMN CC(C)N1CC(Nc2nccc3cc(F)c(Cl)cc32)C1 ZINC001157530142 1132734188 /nfs/dbraw/zinc/73/41/88/1132734188.db2.gz SLSUXKPLTBBPIC-UHFFFAOYSA-N 0 1 293.773 3.532 20 0 CHADMN Cc1ccc(N[C@@H](c2ccccn2)C(F)(F)F)nc1C ZINC001157684377 1132738763 /nfs/dbraw/zinc/73/87/63/1132738763.db2.gz KAFNGLUILMITNX-ZDUSSCGKSA-N 0 1 281.281 3.809 20 0 CHADMN Fc1ccc(Nc2nnco2)c(OCc2ccccc2)c1 ZINC001174119345 1132751923 /nfs/dbraw/zinc/75/19/23/1132751923.db2.gz SIKQPWGVDBHLHD-UHFFFAOYSA-N 0 1 285.278 3.531 20 0 CHADMN CC[C@@H](C)C[C@@H](C)Nc1nc[nH]c2nc(=S)sc1-2 ZINC001157887477 1132754248 /nfs/dbraw/zinc/75/42/48/1132754248.db2.gz MPFPSYSLKNZNLJ-HTQZYQBOSA-N 0 1 282.438 3.612 20 0 CHADMN Cc1ccc([C@H](C)Nc2cc(OC(C)C)ccn2)nc1 ZINC001158019976 1132760616 /nfs/dbraw/zinc/76/06/16/1132760616.db2.gz PZOCOPGYFKILLF-ZDUSSCGKSA-N 0 1 271.364 3.745 20 0 CHADMN Cc1cnc(N2C[C@H](C)OC[C@@H]2c2ccccc2)cc1C ZINC001158291134 1132768168 /nfs/dbraw/zinc/76/81/68/1132768168.db2.gz DMHMJAFFNFXNJR-DOTOQJQBSA-N 0 1 282.387 3.665 20 0 CHADMN Fc1cc2cc(Nc3ccc4nccn4c3)cnc2cc1F ZINC001174279160 1132769086 /nfs/dbraw/zinc/76/90/86/1132769086.db2.gz UQVPUPAZMKOUDL-UHFFFAOYSA-N 0 1 296.280 3.904 20 0 CHADMN Fc1ccc(Nc2ccc3nccn3c2)c2ccncc12 ZINC001174279881 1132769945 /nfs/dbraw/zinc/76/99/45/1132769945.db2.gz LYYIGBLEYFRMJY-UHFFFAOYSA-N 0 1 278.290 3.765 20 0 CHADMN FC1(F)CCC[C@H](Nc2cc(Cl)nc3[nH]cnc32)C1 ZINC001158332493 1132770931 /nfs/dbraw/zinc/77/09/31/1132770931.db2.gz JIXLFRUDHASROP-ZETCQYMHSA-N 0 1 286.713 3.601 20 0 CHADMN CCCCCc1cc(C(=O)N2CCC[C@@H]2CCC)n[nH]1 ZINC001158338325 1132771593 /nfs/dbraw/zinc/77/15/93/1132771593.db2.gz FURASERQKRLNNB-AWEZNQCLSA-N 0 1 277.412 3.547 20 0 CHADMN CC[C@H]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(O)c1 ZINC001158375973 1132773360 /nfs/dbraw/zinc/77/33/60/1132773360.db2.gz JDHKXSIADZNEQI-JQWIXIFHSA-N 0 1 281.783 3.602 20 0 CHADMN CCC[C@@H](NC(=O)c1cc(F)cc(F)c1O)C(C)(C)C ZINC001158438215 1132776384 /nfs/dbraw/zinc/77/63/84/1132776384.db2.gz NCXUQWSPWXFXCM-GFCCVEGCSA-N 0 1 285.334 3.615 20 0 CHADMN Cc1cc(Nc2ccc3n[nH]cc3c2)c2ccccc2n1 ZINC001174271673 1132781887 /nfs/dbraw/zinc/78/18/87/1132781887.db2.gz CAYVCAKDJKDUSU-UHFFFAOYSA-N 0 1 274.327 3.585 20 0 CHADMN Clc1cc(Nc2ccc3nccn3c2)cc(Cl)n1 ZINC001174276328 1132784091 /nfs/dbraw/zinc/78/40/91/1132784091.db2.gz WVSKQJOEBKUGIU-UHFFFAOYSA-N 0 1 279.130 3.780 20 0 CHADMN c1cn2cc(Nc3cccc4cccnc43)ccc2n1 ZINC001174276611 1132784626 /nfs/dbraw/zinc/78/46/26/1132784626.db2.gz JZCOIANVSWMRBY-UHFFFAOYSA-N 0 1 260.300 3.626 20 0 CHADMN Nc1ccc(C(F)(F)F)cc1Nc1ccc2nccn2c1 ZINC001174276768 1132785421 /nfs/dbraw/zinc/78/54/21/1132785421.db2.gz NTLOZJAZIOGVPY-UHFFFAOYSA-N 0 1 292.264 3.679 20 0 CHADMN CCCCOc1cc(Nc2ccc3nccn3c2)ccn1 ZINC001174277737 1132785656 /nfs/dbraw/zinc/78/56/56/1132785656.db2.gz DJBCWUUEPIODTR-UHFFFAOYSA-N 0 1 282.347 3.652 20 0 CHADMN Oc1ccc(Nc2ccc3nccn3c2)c(C(F)(F)F)c1 ZINC001174278212 1132786510 /nfs/dbraw/zinc/78/65/10/1132786510.db2.gz TVNYIBGDELYRJE-UHFFFAOYSA-N 0 1 293.248 3.802 20 0 CHADMN Fc1cc2cccnc2c(Nc2ccc3nccn3c2)c1 ZINC001174277945 1132786585 /nfs/dbraw/zinc/78/65/85/1132786585.db2.gz ORJIIIHOPGYKNZ-UHFFFAOYSA-N 0 1 278.290 3.765 20 0 CHADMN Fc1ccccc1COc1cccc(Nc2ccncc2)c1 ZINC001174311204 1132789548 /nfs/dbraw/zinc/78/95/48/1132789548.db2.gz ARFWNLIELNAMAY-UHFFFAOYSA-N 0 1 294.329 3.965 20 0 CHADMN CC(=O)c1sccc1Nc1cccc2[nH]ncc21 ZINC001174342446 1132799894 /nfs/dbraw/zinc/79/98/94/1132799894.db2.gz BLBCKJKFHPWVAO-UHFFFAOYSA-N 0 1 257.318 3.571 20 0 CHADMN FC(F)(F)c1csc(Nc2cccc3[nH]ncc32)n1 ZINC001174343554 1132800933 /nfs/dbraw/zinc/80/09/33/1132800933.db2.gz WGKWDXFQUCDKFC-UHFFFAOYSA-N 0 1 284.266 3.782 20 0 CHADMN FC(F)(F)Oc1ncccc1Nc1cccc2[nH]ncc21 ZINC001174343391 1132800974 /nfs/dbraw/zinc/80/09/74/1132800974.db2.gz RESWHEJZMGOHBI-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN CC(=O)c1ccc(Nc2cccc3[nH]ncc32)cc1 ZINC001174344531 1132801678 /nfs/dbraw/zinc/80/16/78/1132801678.db2.gz FGBPJQHTOMMGHM-UHFFFAOYSA-N 0 1 251.289 3.509 20 0 CHADMN c1cn(Cc2cccc(Nc3cccc4[nH]ncc43)c2)cn1 ZINC001174344355 1132801879 /nfs/dbraw/zinc/80/18/79/1132801879.db2.gz WBWHZCPEHJCAOI-UHFFFAOYSA-N 0 1 289.342 3.551 20 0 CHADMN COc1cc(C)c(Nc2cccc3[nH]ncc32)cc1OC ZINC001174344186 1132802091 /nfs/dbraw/zinc/80/20/91/1132802091.db2.gz PENMGUIXJCRZKO-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN Fc1cccc2ncc(Nc3cccc4[nH]ncc43)cc12 ZINC001174343557 1132802272 /nfs/dbraw/zinc/80/22/72/1132802272.db2.gz UNQDMNJQHKOGKU-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN c1cc2ncc(Nc3cccc4[nH]ncc43)cc2s1 ZINC001174343531 1132802996 /nfs/dbraw/zinc/80/29/96/1132802996.db2.gz UGRUUJAQEFAKRH-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN CCOC(=O)c1ccc(Nc2cccc3[nH]ncc32)c(C)c1 ZINC001174344840 1132803785 /nfs/dbraw/zinc/80/37/85/1132803785.db2.gz PZXMZSNFMVHZJG-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN c1n[nH]c2cccc(Nc3cc(-c4ccccc4)cnn3)c12 ZINC001174344616 1132804150 /nfs/dbraw/zinc/80/41/50/1132804150.db2.gz JHOXHZHVKIFFIF-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN CP(C)(=O)c1ccccc1Nc1cccc2[nH]ncc21 ZINC001174345430 1132804688 /nfs/dbraw/zinc/80/46/88/1132804688.db2.gz AHHPSXVKDCOROQ-UHFFFAOYSA-N 0 1 285.287 3.555 20 0 CHADMN COC(=O)c1cc(F)c(C)c(Nc2cccc3[nH]ncc32)c1 ZINC001174347845 1132805489 /nfs/dbraw/zinc/80/54/89/1132805489.db2.gz MYOPITWGIUXREP-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1cccc2ncc(Nc3ccc4ncsc4c3)n21 ZINC001174365124 1132822422 /nfs/dbraw/zinc/82/24/22/1132822422.db2.gz OMEAZRUQZUCNKX-UHFFFAOYSA-N 0 1 280.356 3.996 20 0 CHADMN Fc1ccc(F)c(Nc2cc([C@@H]3CCCCN3)no2)c1F ZINC001159309244 1132827666 /nfs/dbraw/zinc/82/76/66/1132827666.db2.gz RQXKGYOWKVMKHI-JTQLQIEISA-N 0 1 297.280 3.650 20 0 CHADMN Fc1cccc(F)c1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159309195 1132827764 /nfs/dbraw/zinc/82/77/64/1132827764.db2.gz QVXFCFDWTCKWKW-NSHDSACASA-N 0 1 279.290 3.511 20 0 CHADMN Fc1cccc(F)c1[N-]c1cc([C@@H]2CCCC[NH2+]2)no1 ZINC001159309195 1132827768 /nfs/dbraw/zinc/82/77/68/1132827768.db2.gz QVXFCFDWTCKWKW-NSHDSACASA-N 0 1 279.290 3.511 20 0 CHADMN Fc1cc(F)cc(Nc2cc([C@H]3CCCCN3)no2)c1 ZINC001159308910 1132827944 /nfs/dbraw/zinc/82/79/44/1132827944.db2.gz OJJLSFYIUCNUSL-GFCCVEGCSA-N 0 1 279.290 3.511 20 0 CHADMN Fc1ccc(Nc2cc([C@H]3CCCCN3)no2)cc1F ZINC001159307528 1132828733 /nfs/dbraw/zinc/82/87/33/1132828733.db2.gz AORYGVJHMFHXAF-GFCCVEGCSA-N 0 1 279.290 3.511 20 0 CHADMN CSc1cccc(Nc2cc([C@@H]3CCCCN3)no2)c1 ZINC001159309693 1132829715 /nfs/dbraw/zinc/82/97/15/1132829715.db2.gz XZEVTSOWUYSZOH-ZDUSSCGKSA-N 0 1 289.404 3.955 20 0 CHADMN Clc1cccc(Nc2cc([C@H]3CCCCN3)no2)c1 ZINC001159313959 1132829863 /nfs/dbraw/zinc/82/98/63/1132829863.db2.gz WUFMYMKFJDNGTG-GFCCVEGCSA-N 0 1 277.755 3.886 20 0 CHADMN c1c(Nc2ccc3c(c2)CCCN3)onc1[C@@H]1CCCCN1 ZINC001159313631 1132830079 /nfs/dbraw/zinc/83/00/79/1132830079.db2.gz QXMAZFBQYFYCIA-HNNXBMFYSA-N 0 1 298.390 3.591 20 0 CHADMN Cc1ccc(Nc2cc([C@H]3CCCCN3)no2)c(F)c1F ZINC001159313001 1132830616 /nfs/dbraw/zinc/83/06/16/1132830616.db2.gz ICWZRMONCBAGJW-SNVBAGLBSA-N 0 1 293.317 3.819 20 0 CHADMN Fc1ccc(-n2nccc2Nc2ccc3c[nH]nc3c2)cc1 ZINC001174498555 1132863739 /nfs/dbraw/zinc/86/37/39/1132863739.db2.gz OVCSIIHWYJUANQ-UHFFFAOYSA-N 0 1 293.305 3.631 20 0 CHADMN Cc1c(Cl)nccc1Nc1ccc2c[nH]nc2c1 ZINC001174499062 1132864310 /nfs/dbraw/zinc/86/43/10/1132864310.db2.gz XWHDNQYUJHLBIL-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1ncc(Cl)cc1Nc1ccc2c[nH]nc2c1 ZINC001174497688 1132864814 /nfs/dbraw/zinc/86/48/14/1132864814.db2.gz FLMXKHZDQODXHK-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1cc(Nc2ccc3c[nH]nc3c2)cnc1OC(C)C ZINC001174498467 1132864885 /nfs/dbraw/zinc/86/48/85/1132864885.db2.gz FUPNVGJYWDRDGH-UHFFFAOYSA-N 0 1 282.347 3.797 20 0 CHADMN COc1ccc2cc(Nc3ccc4c[nH]nc4c3)cnc2c1 ZINC001174498779 1132864960 /nfs/dbraw/zinc/86/49/60/1132864960.db2.gz SJLVSNXEYRXVNG-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN Fc1ccc2[nH]ccc2c1Nc1cccc2[nH]ncc21 ZINC001159574882 1132865050 /nfs/dbraw/zinc/86/50/50/1132865050.db2.gz PDXYUAWYODOXAA-UHFFFAOYSA-N 0 1 266.279 3.927 20 0 CHADMN FC(F)(F)Oc1cc(Nc2ccc3c[nH]nc3c2)ccn1 ZINC001174499478 1132865818 /nfs/dbraw/zinc/86/58/18/1132865818.db2.gz XEOHKFPCFVCZGH-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN CCOc1cc(Nc2cccc3[nH]ncc32)ccc1F ZINC001159574066 1132866047 /nfs/dbraw/zinc/86/60/47/1132866047.db2.gz JCYUUTRXKMNELU-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN [O-]c1c(Cl)cc(Cl)cc1NC=CC1CC[NH2+]CC1 ZINC001159591049 1132869210 /nfs/dbraw/zinc/86/92/10/1132869210.db2.gz GXDJJMHLJLLSEY-ZZXKWVIFSA-N 0 1 287.190 3.624 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(F)ccc1N ZINC001159591524 1132869929 /nfs/dbraw/zinc/86/99/29/1132869929.db2.gz PHAWMQOHHKUMNU-UHFFFAOYSA-N 0 1 283.306 3.708 20 0 CHADMN [O-]c1c(F)cc(Nc2ccc3c(c2)C[NH2+]CC3)cc1Cl ZINC001159616077 1132876875 /nfs/dbraw/zinc/87/68/75/1132876875.db2.gz ZGWIULOSUMAOAN-UHFFFAOYSA-N 0 1 292.741 3.574 20 0 CHADMN Cc1nc2cc(N[C@@H](C)c3ccc(F)cn3)ccc2[nH]1 ZINC000147748749 1132880847 /nfs/dbraw/zinc/88/08/47/1132880847.db2.gz WSSPUNKDVYMMQA-VIFPVBQESA-N 0 1 270.311 3.579 20 0 CHADMN CCOc1ncc(Cl)cc1Nc1ccc2c[nH]nc2c1 ZINC001159662432 1132885798 /nfs/dbraw/zinc/88/57/98/1132885798.db2.gz XVEFKQISEYAHPE-UHFFFAOYSA-N 0 1 288.738 3.754 20 0 CHADMN Cc1c(F)ccc(F)c1Nc1ccc2c[nH]nc2c1 ZINC001159663347 1132887951 /nfs/dbraw/zinc/88/79/51/1132887951.db2.gz XIBFGRRPHDDJJP-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN CCOc1ccc(-c2cc(Nc3ccncc3C)on2)cc1 ZINC001174535822 1132894814 /nfs/dbraw/zinc/89/48/14/1132894814.db2.gz AHLUTBYUWDGKLK-UHFFFAOYSA-N 0 1 295.342 3.609 20 0 CHADMN COc1cc(Nc2ccc3c[nH]nc3c2)ccc1Cl ZINC001174501927 1132903007 /nfs/dbraw/zinc/90/30/07/1132903007.db2.gz NTYYAFMQESYGNF-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN COCc1ccc(Nc2ccc3c[nH]nc3c2)cc1F ZINC001174501391 1132903265 /nfs/dbraw/zinc/90/32/65/1132903265.db2.gz QSCJFWFMCAFXCO-UHFFFAOYSA-N 0 1 271.295 3.592 20 0 CHADMN CCn1cc2cc(Nc3ccc4c[nH]nc4c3)ccc2n1 ZINC001174502225 1132904078 /nfs/dbraw/zinc/90/40/78/1132904078.db2.gz WHNAFYDMGJHLGE-UHFFFAOYSA-N 0 1 277.331 3.676 20 0 CHADMN Oc1cccc(Cl)c1Nc1ccc2c[nH]nc2c1 ZINC001174502301 1132904332 /nfs/dbraw/zinc/90/43/32/1132904332.db2.gz YGOVUEWBXJCGEO-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN CCc1c(Cl)cc(NC2=CCC[NH2+]C2)c([O-])c1Cl ZINC001159789569 1132909659 /nfs/dbraw/zinc/90/96/59/1132909659.db2.gz CNNMOGLYLRJOBQ-UHFFFAOYSA-N 0 1 287.190 3.551 20 0 CHADMN CCNC(=O)Nc1ccc(Nc2cc(C)cc(C)n2)cc1 ZINC001174519952 1132911786 /nfs/dbraw/zinc/91/17/86/1132911786.db2.gz ZRIKPHDPVSLJEM-UHFFFAOYSA-N 0 1 284.363 3.583 20 0 CHADMN COC(=O)c1cccc([C@@H](C)Nc2ncc(C)cc2C)c1 ZINC001159954429 1132927637 /nfs/dbraw/zinc/92/76/37/1132927637.db2.gz KSCPEBGNRVYYLF-CYBMUJFWSA-N 0 1 284.359 3.658 20 0 CHADMN Cc1ccc(Nc2cccc(N3CCN(C)CC3)c2)cc1C ZINC001174633158 1132934862 /nfs/dbraw/zinc/93/48/62/1132934862.db2.gz BMWRLOKQUPTNKA-UHFFFAOYSA-N 0 1 295.430 3.799 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1cccc(OC)c1C)C2 ZINC001174615866 1132943567 /nfs/dbraw/zinc/94/35/67/1132943567.db2.gz YYVYGBIPKRBWLH-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN Nc1ccc(Nc2cc(Cl)cc3[nH]ncc32)cc1F ZINC001160208564 1132947253 /nfs/dbraw/zinc/94/72/53/1132947253.db2.gz PAGHYIDDGILZCL-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN COc1cc(F)cc(CNc2ccc3c(n2)CCCC3)c1 ZINC001160213930 1132947766 /nfs/dbraw/zinc/94/77/66/1132947766.db2.gz WPOTWVXECWNDSR-UHFFFAOYSA-N 0 1 286.350 3.720 20 0 CHADMN COc1ccc(Nc2ccc3nc[nH]c3c2)c(C)c1C ZINC001160224713 1132949482 /nfs/dbraw/zinc/94/94/82/1132949482.db2.gz WECSNEGXFCBOKS-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN CCOc1ccc(F)c(Nc2ccc3nc[nH]c3c2)c1F ZINC001160224317 1132950026 /nfs/dbraw/zinc/95/00/26/1132950026.db2.gz PZCYFRXYWYJDIY-UHFFFAOYSA-N 0 1 289.285 3.983 20 0 CHADMN Cc1ccc(NCC2(c3ccccc3)CC2)nc1C ZINC001160262438 1132953472 /nfs/dbraw/zinc/95/34/72/1132953472.db2.gz JEIOHCJKVBRKMR-UHFFFAOYSA-N 0 1 252.361 3.842 20 0 CHADMN CC1(C)CCNc2cc(Nc3ccc4nn[nH]c4c3)ccc21 ZINC001160321947 1132962059 /nfs/dbraw/zinc/96/20/59/1132962059.db2.gz PPJFZDQHZLDHHQ-UHFFFAOYSA-N 0 1 293.374 3.795 20 0 CHADMN CC1(C)CCNc2cc(Nc3ccc4n[nH]nc4c3)ccc21 ZINC001160321947 1132962062 /nfs/dbraw/zinc/96/20/62/1132962062.db2.gz PPJFZDQHZLDHHQ-UHFFFAOYSA-N 0 1 293.374 3.795 20 0 CHADMN CCOc1ccnc(NCc2cc(C)c(OC)cc2C)c1 ZINC001160777274 1132981739 /nfs/dbraw/zinc/98/17/39/1132981739.db2.gz PRDWAROJYQVQRI-UHFFFAOYSA-N 0 1 286.375 3.718 20 0 CHADMN Cc1cccc2ccnc(NCc3cncn3C(C)C)c12 ZINC001161569185 1133006856 /nfs/dbraw/zinc/00/68/56/1133006856.db2.gz KJFPLQQVFYDCTO-UHFFFAOYSA-N 0 1 280.375 3.933 20 0 CHADMN CC(C)CNc1nccc2c1CCN(Cc1ccccc1)C2 ZINC001161644538 1133013322 /nfs/dbraw/zinc/01/33/22/1133013322.db2.gz AMXJULOOBZFBSV-UHFFFAOYSA-N 0 1 295.430 3.708 20 0 CHADMN COc1ncccc1[C@@H](Nc1ncc(C)cc1C)C1CC1 ZINC001161784603 1133028699 /nfs/dbraw/zinc/02/86/99/1133028699.db2.gz WVYTWIHPWJJAQI-HNNXBMFYSA-N 0 1 283.375 3.665 20 0 CHADMN Cc1ccc(C)c(CCNc2ccc3nc[nH]c3c2)c1 ZINC001161832910 1133034522 /nfs/dbraw/zinc/03/45/22/1133034522.db2.gz UXQQXUPYKYQUOF-UHFFFAOYSA-N 0 1 265.360 3.834 20 0 CHADMN O=C(c1ccc(F)cc1O)N1CCC[C@@H](C2CCCC2)C1 ZINC001161909003 1133039574 /nfs/dbraw/zinc/03/95/74/1133039574.db2.gz TXJYJKDIVQQQNC-CYBMUJFWSA-N 0 1 291.366 3.574 20 0 CHADMN Cc1cc(NC2CC2)nc(N[C@H](c2ccccc2)C2CC2)n1 ZINC001161955173 1133041297 /nfs/dbraw/zinc/04/12/97/1133041297.db2.gz LXBLBKWBAKGUPN-QGZVFWFLSA-N 0 1 294.402 3.923 20 0 CHADMN CN(C)Cc1cccc(N[C@H](c2ccccc2)C2CC2)n1 ZINC001161958850 1133043076 /nfs/dbraw/zinc/04/30/76/1133043076.db2.gz WLOHXOYBDOKRHQ-GOSISDBHSA-N 0 1 281.403 3.706 20 0 CHADMN CC(C)(C)N1CC(Nc2ccc3ccc(Cl)cc3n2)C1 ZINC001162226695 1133062444 /nfs/dbraw/zinc/06/24/44/1133062444.db2.gz VLGRZPWSGOPSTN-UHFFFAOYSA-N 0 1 289.810 3.783 20 0 CHADMN CN(C(=O)[C@@H]1CCN1C(C)(C)C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001162248271 1133063605 /nfs/dbraw/zinc/06/36/05/1133063605.db2.gz GRYALTJSZZXLBC-KFWWJZLASA-N 0 1 294.483 3.532 20 0 CHADMN CN(C(=O)c1[nH]nc2ccccc21)[C@H]1CCC[C@H]1C(C)(C)C ZINC001162242313 1133063618 /nfs/dbraw/zinc/06/36/18/1133063618.db2.gz IYEISDYQWHKWDH-HIFRSBDPSA-N 0 1 299.418 3.850 20 0 CHADMN C[C@@H]1CCC[C@H](CNc2ccncc2C(F)(F)F)C1 ZINC001162266529 1133065374 /nfs/dbraw/zinc/06/53/74/1133065374.db2.gz DTFOVXSUTOURTI-MNOVXSKESA-N 0 1 272.314 3.761 20 0 CHADMN Cc1cc2ccccc2c(N[C@H]2C[C@@]23CCCOC3)n1 ZINC001162378273 1133072952 /nfs/dbraw/zinc/07/29/52/1133072952.db2.gz UEGJIPGOSAVNOT-DOTOQJQBSA-N 0 1 268.360 3.524 20 0 CHADMN Cc1nc2ccc(NC[C@H]3CCCC[C@H]3C)nc2[nH]1 ZINC001162524463 1133087582 /nfs/dbraw/zinc/08/75/82/1133087582.db2.gz HAPVQCAQYXZEAW-ZYHUDNBSSA-N 0 1 258.369 3.505 20 0 CHADMN CC(C)(Nc1ccc2nc[nH]c2c1)C(=O)c1ccccc1 ZINC001162639870 1133098598 /nfs/dbraw/zinc/09/85/98/1133098598.db2.gz OLSRRRZGUCOEIW-UHFFFAOYSA-N 0 1 279.343 3.636 20 0 CHADMN Cc1cc2ccccc2c(NCc2cnc(Cl)cn2)n1 ZINC001162653036 1133101001 /nfs/dbraw/zinc/10/10/01/1133101001.db2.gz HABNNQDWJNABIV-UHFFFAOYSA-N 0 1 284.750 3.599 20 0 CHADMN CN(Cc1cccs1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000057947169 1133108940 /nfs/dbraw/zinc/10/89/40/1133108940.db2.gz LAPVCMZBYOCZAB-UHFFFAOYSA-N 0 1 295.791 3.762 20 0 CHADMN Oc1cccc2c1CC[C@H]2Nc1ccc2c(n1)CCCC2 ZINC001163193881 1133135089 /nfs/dbraw/zinc/13/50/89/1133135089.db2.gz JMPADNHPGMYPIG-MRXNPFEDSA-N 0 1 280.371 3.765 20 0 CHADMN Cc1cnc(N[C@@H]2CCc3c2cccc3O)c(C)c1 ZINC001163193803 1133135099 /nfs/dbraw/zinc/13/50/99/1133135099.db2.gz HMSNISUDARBQFX-CQSZACIVSA-N 0 1 254.333 3.503 20 0 CHADMN Cc1nccc(NCc2ccc(C(C)C)cc2)c1F ZINC001163822420 1133177183 /nfs/dbraw/zinc/17/71/83/1133177183.db2.gz DVJJEGOOSDUIOF-UHFFFAOYSA-N 0 1 258.340 3.687 20 0 CHADMN CC[C@@H](C)CCCCC(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC001163930869 1133185048 /nfs/dbraw/zinc/18/50/48/1133185048.db2.gz YFAXRNOKDLRCFJ-CVEARBPZSA-N 0 1 296.499 3.782 20 0 CHADMN CC(C)Oc1ccnc(N2CCc3ccccc3[C@H]2C)c1 ZINC001163955768 1133187635 /nfs/dbraw/zinc/18/76/35/1133187635.db2.gz DAUYKGCUHUPGBY-CQSZACIVSA-N 0 1 282.387 3.993 20 0 CHADMN COc1ccc(O[C@@H](C)CNc2nccc(C)c2C)cc1 ZINC001164041739 1133194023 /nfs/dbraw/zinc/19/40/23/1133194023.db2.gz MPOAVPXDKXGOHB-ZDUSSCGKSA-N 0 1 286.375 3.586 20 0 CHADMN CCC[C@@](C)(CC)C(=O)N1CCN(C(C)(C)CC)CC1 ZINC001164084787 1133196936 /nfs/dbraw/zinc/19/69/36/1133196936.db2.gz RTJIMHVQLARZSD-QGZVFWFLSA-N 0 1 282.472 3.536 20 0 CHADMN COc1ccc2c(ccnc2N2CC[C@](C)(F)[C@H](F)C2)c1 ZINC001164325089 1133212669 /nfs/dbraw/zinc/21/26/69/1133212669.db2.gz AGEVRFXFHMOIAB-ZBFHGGJFSA-N 0 1 292.329 3.520 20 0 CHADMN c1ccc(-c2n[nH]c(SCC3CCCCCC3)n2)nc1 ZINC001164514835 1133221406 /nfs/dbraw/zinc/22/14/06/1133221406.db2.gz DVHVBGNKRJHNMZ-UHFFFAOYSA-N 0 1 288.420 3.929 20 0 CHADMN CCN1C(=O)N=NC1SCC1CCC(C(C)(C)C)CC1 ZINC001164547482 1133222816 /nfs/dbraw/zinc/22/28/16/1133222816.db2.gz BVSPXUBSNDEHDQ-UHFFFAOYSA-N 0 1 297.468 3.948 20 0 CHADMN Cc1cnc(N(C)Cc2ncccc2C(F)(F)F)cc1C ZINC001165225446 1133231722 /nfs/dbraw/zinc/23/17/22/1133231722.db2.gz XWDBTIPCGHHGIE-UHFFFAOYSA-N 0 1 295.308 3.749 20 0 CHADMN Cc1cc(C)nc(N2Cc3ccccc3[C@@H](C)C2)c1 ZINC001165218247 1133231854 /nfs/dbraw/zinc/23/18/54/1133231854.db2.gz BKBSXOOFMBMQBN-ZDUSSCGKSA-N 0 1 252.361 3.822 20 0 CHADMN Cc1ncc(CSc2nc(C=Cc3ccccc3)n[nH]2)o1 ZINC001165486973 1133243414 /nfs/dbraw/zinc/24/34/14/1133243414.db2.gz APUKCMMBWWUJPC-BQYQJAHWSA-N 0 1 298.371 3.564 20 0 CHADMN CCC(=O)Nc1cc(NC/C=C/c2ccccc2)ccn1 ZINC001166153795 1133260298 /nfs/dbraw/zinc/26/02/98/1133260298.db2.gz ACPULSCLANVVJJ-RMKNXTFCSA-N 0 1 281.359 3.555 20 0 CHADMN Cc1ccc(CN(C)c2cc(Cl)nc3[nH]cnc32)cc1 ZINC001166536198 1133268928 /nfs/dbraw/zinc/26/89/28/1133268928.db2.gz HSRFABWPOIYQSD-UHFFFAOYSA-N 0 1 286.766 3.556 20 0 CHADMN CC(C)Oc1ccnc(N2CCCC[C@H]2c2cccnc2)c1 ZINC001166575879 1133272576 /nfs/dbraw/zinc/27/25/76/1133272576.db2.gz RKACEPQTVJBGQF-KRWDZBQOSA-N 0 1 297.402 3.995 20 0 CHADMN COc1ccc2c(ccnc2N2CCc3ccsc3C2)c1 ZINC001166683224 1133281938 /nfs/dbraw/zinc/28/19/38/1133281938.db2.gz XSBPOPHQDPFIRO-UHFFFAOYSA-N 0 1 296.395 3.868 20 0 CHADMN Cc1nc2ccc(COc3cc(C)ccc3C=O)cc2[nH]1 ZINC001166775756 1133286240 /nfs/dbraw/zinc/28/62/40/1133286240.db2.gz JXVMHURXFGZIGB-UHFFFAOYSA-N 0 1 280.327 3.571 20 0 CHADMN Cc1cnc(N(Cc2ccccc2)C2CCOCC2)cc1C ZINC001166813115 1133289223 /nfs/dbraw/zinc/28/92/23/1133289223.db2.gz OGIINKHSRUYGTN-UHFFFAOYSA-N 0 1 296.414 3.884 20 0 CHADMN CCCCN(Cc1ccccc1)Cc1cncc(C)n1 ZINC001203171080 1133304332 /nfs/dbraw/zinc/30/43/32/1133304332.db2.gz SPOWQYMDQKTBLW-UHFFFAOYSA-N 0 1 269.392 3.587 20 0 CHADMN Cc1cc(CNCc2ccccc2CC(C)C)sn1 ZINC001203215383 1133305693 /nfs/dbraw/zinc/30/56/93/1133305693.db2.gz KUFBPLKMAXCYKB-UHFFFAOYSA-N 0 1 274.433 3.940 20 0 CHADMN O=C([O-])c1ccc(Nc2ccc3c[nH+]ccc3c2)c(F)c1 ZINC001203293156 1133311169 /nfs/dbraw/zinc/31/11/69/1133311169.db2.gz ULVAFCKLAKGHNY-UHFFFAOYSA-N 0 1 282.274 3.816 20 0 CHADMN COc1ccc([C@@H]2CSCCN2Cc2ccccc2)cc1 ZINC001203312450 1133313632 /nfs/dbraw/zinc/31/36/32/1133313632.db2.gz CUUAVRADAYTTOH-SFHVURJKSA-N 0 1 299.439 3.985 20 0 CHADMN C[C@H]1CN(Cc2c(Cl)cccc2Cl)CCC[C@H]1O ZINC001203416455 1133325218 /nfs/dbraw/zinc/32/52/18/1133325218.db2.gz LPYISNXRHLSNOP-IINYFYTJSA-N 0 1 288.218 3.586 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1ccccc1OC ZINC001203437733 1133328507 /nfs/dbraw/zinc/32/85/07/1133328507.db2.gz INKIHJHGDZQJSU-UHFFFAOYSA-N 0 1 273.351 3.856 20 0 CHADMN c1[nH]nc2cc(N[C@@H]3CCCc4ccccc4C3)ccc12 ZINC001203479656 1133332359 /nfs/dbraw/zinc/33/23/59/1133332359.db2.gz VLVXRYIAGXIFKZ-MRXNPFEDSA-N 0 1 277.371 3.922 20 0 CHADMN CCOc1cc(Nc2ccnc3cc(OC)ccc32)ccn1 ZINC001203523505 1133334795 /nfs/dbraw/zinc/33/47/95/1133334795.db2.gz QOEWUIKMQQZCOY-UHFFFAOYSA-N 0 1 295.342 3.781 20 0 CHADMN COc1ccc(OC)c(CN2CCC(F)(F)C(C)(C)C2)c1 ZINC001203519834 1133335851 /nfs/dbraw/zinc/33/58/51/1133335851.db2.gz CMPZFNASNYIBGW-UHFFFAOYSA-N 0 1 299.361 3.571 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(OC)ccc1O ZINC001203526366 1133337323 /nfs/dbraw/zinc/33/73/23/1133337323.db2.gz VCTCTDLYSOUUQL-UHFFFAOYSA-N 0 1 296.326 3.701 20 0 CHADMN Fc1ccc(/C=C\CNCc2noc3ccccc23)cc1 ZINC001203652071 1133348174 /nfs/dbraw/zinc/34/81/74/1133348174.db2.gz PDPXGLQJYHBFBQ-ARJAWSKDSA-N 0 1 282.318 3.770 20 0 CHADMN CC(C)O[C@H]1CCN(Cc2ccccc2C(F)(F)F)C1 ZINC001203693523 1133354475 /nfs/dbraw/zinc/35/44/75/1133354475.db2.gz BYJHGAFVMZODLF-ZDUSSCGKSA-N 0 1 287.325 3.705 20 0 CHADMN Cc1ccc(C)c(CN2CCCC(F)(F)[C@@H](F)C2)c1 ZINC001203744080 1133363690 /nfs/dbraw/zinc/36/36/90/1133363690.db2.gz YPLMHDINGPZYPS-AWEZNQCLSA-N 0 1 271.326 3.873 20 0 CHADMN Cc1ccc(CN2CCOc3ccccc3C2)c(C)c1 ZINC001203735950 1133362307 /nfs/dbraw/zinc/36/23/07/1133362307.db2.gz JDUYLAMOXBXWNW-UHFFFAOYSA-N 0 1 267.372 3.698 20 0 CHADMN Cc1cc(C)c(CN2CCO[C@H](c3ccncc3)C2)c(C)c1 ZINC001203746247 1133364294 /nfs/dbraw/zinc/36/42/94/1133364294.db2.gz MPEJIRPHMNTLTE-IBGZPJMESA-N 0 1 296.414 3.580 20 0 CHADMN O=C(c1ccccc1)[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001203787760 1133367878 /nfs/dbraw/zinc/36/78/78/1133367878.db2.gz CVHVICLHAFXNQQ-INIZCTEOSA-N 0 1 283.346 3.531 20 0 CHADMN O=C(c1ccccc1)[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001203787760 1133367883 /nfs/dbraw/zinc/36/78/83/1133367883.db2.gz CVHVICLHAFXNQQ-INIZCTEOSA-N 0 1 283.346 3.531 20 0 CHADMN CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC001203790235 1133368755 /nfs/dbraw/zinc/36/87/55/1133368755.db2.gz PAHFEQVNMJGTQX-HNNXBMFYSA-N 0 1 293.382 3.522 20 0 CHADMN C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2)CCC[C@H]1O ZINC001203808722 1133371010 /nfs/dbraw/zinc/37/10/10/1133371010.db2.gz RQTZAMJIJBTBGT-IINYFYTJSA-N 0 1 288.218 3.586 20 0 CHADMN F[C@@H]1CCN(Cc2ccc(Cl)cc2)CCC1(F)F ZINC001203919075 1133384606 /nfs/dbraw/zinc/38/46/06/1133384606.db2.gz QQPUXVCKLZEJKW-GFCCVEGCSA-N 0 1 277.717 3.909 20 0 CHADMN Fc1ccc(CN2CCCC[C@H]2c2cccnc2)cc1 ZINC001203915750 1133385222 /nfs/dbraw/zinc/38/52/22/1133385222.db2.gz CWHJJQOIJXPZAE-KRWDZBQOSA-N 0 1 270.351 3.948 20 0 CHADMN c1ccc(C[C@@H](NCc2ccncc2)c2ccccn2)cc1 ZINC001203935184 1133386187 /nfs/dbraw/zinc/38/61/87/1133386187.db2.gz MZAOBLLFBUGQQE-LJQANCHMSA-N 0 1 289.382 3.550 20 0 CHADMN CCCCOc1ccc(CN2C[C@@H](F)C[C@H]2C)cc1 ZINC001203973103 1133391930 /nfs/dbraw/zinc/39/19/30/1133391930.db2.gz PQWWLNHYYZZIPE-HIFRSBDPSA-N 0 1 265.372 3.798 20 0 CHADMN COc1ccc2ccccc2c1CN1CCCC(=O)[C@H](C)C1 ZINC001203986641 1133393723 /nfs/dbraw/zinc/39/37/23/1133393723.db2.gz LEOAFFUVNBILPZ-CQSZACIVSA-N 0 1 297.398 3.649 20 0 CHADMN CC1(C)CN(Cc2cccc3ccccc32)CCC1=O ZINC001203981694 1133394015 /nfs/dbraw/zinc/39/40/15/1133394015.db2.gz FILZIOIOVVWPPT-UHFFFAOYSA-N 0 1 267.372 3.641 20 0 CHADMN Fc1ccccc1[C@@H]1CCCCN1Cc1ccc[nH]1 ZINC001204010761 1133398756 /nfs/dbraw/zinc/39/87/56/1133398756.db2.gz VFVRWGXQVJUOLF-INIZCTEOSA-N 0 1 258.340 3.881 20 0 CHADMN OC1(C(F)(F)CNC2CCCCCC2)CCCCC1 ZINC001204012791 1133400106 /nfs/dbraw/zinc/40/01/06/1133400106.db2.gz ZKRFPVOFYPYMSA-UHFFFAOYSA-N 0 1 275.383 3.629 20 0 CHADMN COc1ccc(CN[C@H](C)c2ncccc2C)c(C)c1 ZINC001204036780 1133400644 /nfs/dbraw/zinc/40/06/44/1133400644.db2.gz DCENRGPAEVKQPC-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccccc2F)cc1 ZINC001204155288 1133411958 /nfs/dbraw/zinc/41/19/58/1133411958.db2.gz YVATWOAUJIWGPX-KRWDZBQOSA-N 0 1 299.345 3.861 20 0 CHADMN Fc1cccc(F)c1CN1CC[C@@H]2CCC[C@H]2C1 ZINC001204199924 1133417733 /nfs/dbraw/zinc/41/77/33/1133417733.db2.gz DXBGYIROTVEIPE-RYUDHWBXSA-N 0 1 251.320 3.587 20 0 CHADMN CCOc1cc(CN2CCC[C@H](C(F)F)C2)ccc1OC ZINC001204191464 1133418132 /nfs/dbraw/zinc/41/81/32/1133418132.db2.gz UGLUQSPSRKTEKU-ZDUSSCGKSA-N 0 1 299.361 3.571 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cc(F)cc(F)c2)CC1 ZINC001204227528 1133421300 /nfs/dbraw/zinc/42/13/00/1133421300.db2.gz ILYXVVPFNOPPEO-CQSZACIVSA-N 0 1 257.299 3.679 20 0 CHADMN Fc1cc(F)cc(CN2CC[C@@H](Oc3ccccc3)C2)c1 ZINC001204234522 1133422550 /nfs/dbraw/zinc/42/25/50/1133422550.db2.gz POKCHWMJRGXCPA-QGZVFWFLSA-N 0 1 289.325 3.618 20 0 CHADMN Cc1[nH]c2ccccc2c1CN1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001204291317 1133430210 /nfs/dbraw/zinc/43/02/10/1133430210.db2.gz JDWMRIIZNOSEGW-MAUKXSAKSA-N 0 1 296.414 3.810 20 0 CHADMN CCCCCCOc1ccccc1C[N@H+]1CC[C@@H]1COC ZINC001204294013 1133430984 /nfs/dbraw/zinc/43/09/84/1133430984.db2.gz KXHAHQCKWOVOTO-QGZVFWFLSA-N 0 1 291.435 3.866 20 0 CHADMN CCCCCCOc1ccccc1CN1CC[C@@H]1COC ZINC001204294013 1133430987 /nfs/dbraw/zinc/43/09/87/1133430987.db2.gz KXHAHQCKWOVOTO-QGZVFWFLSA-N 0 1 291.435 3.866 20 0 CHADMN CC(C)(C)c1ccc(CN2CCc3ncccc3C2)cc1 ZINC001204397299 1133442338 /nfs/dbraw/zinc/44/23/38/1133442338.db2.gz HFTNZJKQFOCECX-UHFFFAOYSA-N 0 1 280.415 3.937 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001204414435 1133444007 /nfs/dbraw/zinc/44/40/07/1133444007.db2.gz FXDKNVLOUZSPDJ-JQWIXIFHSA-N 0 1 291.288 3.765 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1ccc(OC(F)(F)F)cc1 ZINC001204415219 1133444618 /nfs/dbraw/zinc/44/46/18/1133444618.db2.gz LHGRLZTVAWVRMU-KOLCDFICSA-N 0 1 277.261 3.518 20 0 CHADMN COc1ccc2cc(CN3CCOC[C@@H]3C(C)C)ccc2c1 ZINC001204516288 1133456453 /nfs/dbraw/zinc/45/64/53/1133456453.db2.gz ASEVDGVOPUYHCH-LJQANCHMSA-N 0 1 299.414 3.705 20 0 CHADMN Cc1c(F)cccc1CN1CCC(=O)[C@@H](C)C12CCCC2 ZINC001204513933 1133456723 /nfs/dbraw/zinc/45/67/23/1133456723.db2.gz ONPMDFUVDVEYEQ-CQSZACIVSA-N 0 1 289.394 3.858 20 0 CHADMN CCCOc1ccc(CN2CCOC3(CCC3)C2)c(C)c1 ZINC001204607985 1133466505 /nfs/dbraw/zinc/46/65/05/1133466505.db2.gz BSEVYNNKLZTSMI-UHFFFAOYSA-N 0 1 289.419 3.539 20 0 CHADMN CC[C@H]1C[N@@H+](Cc2ccc(Cl)c(C)c2Cl)C[C@H]1O ZINC001204640967 1133470016 /nfs/dbraw/zinc/47/00/16/1133470016.db2.gz YTFJNAWTNVIBAW-GXFFZTMASA-N 0 1 288.218 3.505 20 0 CHADMN CC[C@H]1CN(Cc2ccc(Cl)c(C)c2Cl)C[C@H]1O ZINC001204640967 1133470018 /nfs/dbraw/zinc/47/00/18/1133470018.db2.gz YTFJNAWTNVIBAW-GXFFZTMASA-N 0 1 288.218 3.505 20 0 CHADMN C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001204645315 1133470672 /nfs/dbraw/zinc/47/06/72/1133470672.db2.gz RDIQXRXYLVIXEZ-WMZOPIPTSA-N 0 1 296.414 3.824 20 0 CHADMN C[C@H]1OCCN(CCc2ccc(C(C)(C)C)cc2)[C@H]1C ZINC001204817183 1133488681 /nfs/dbraw/zinc/48/86/81/1133488681.db2.gz RDWAQCHCGBHWLV-LSDHHAIUSA-N 0 1 275.436 3.636 20 0 CHADMN CCc1cccc(-c2noc([C@@H](NC)C(C)(C)C)n2)c1 ZINC001204895043 1133497261 /nfs/dbraw/zinc/49/72/61/1133497261.db2.gz DVUXJFWGWANYFX-CYBMUJFWSA-N 0 1 273.380 3.606 20 0 CHADMN Fc1cc(CN2CCC[C@@H]3C[C@@H]32)ccc1C(F)(F)F ZINC001204893393 1133497347 /nfs/dbraw/zinc/49/73/47/1133497347.db2.gz FMYUTWFDVUOHIO-MFKMUULPSA-N 0 1 273.273 3.829 20 0 CHADMN C[C@@H]1CCN(Cc2cc3c(cccc3O)s2)C[C@H]1F ZINC001204985630 1133512424 /nfs/dbraw/zinc/51/24/24/1133512424.db2.gz YHXDPPOCTLDHNG-ZWNOBZJWSA-N 0 1 279.380 3.787 20 0 CHADMN CC(C)CCN(CCC(C)C)Cc1cn(C(C)(C)C)nn1 ZINC001205052440 1133521993 /nfs/dbraw/zinc/52/19/93/1133521993.db2.gz HYFBGINEOXPSTQ-UHFFFAOYSA-N 0 1 294.487 3.927 20 0 CHADMN Cc1ccc(CN(C)CCOc2ccccc2F)c(F)c1 ZINC001205116215 1133532629 /nfs/dbraw/zinc/53/26/29/1133532629.db2.gz YOYCOXXIASZKFP-UHFFFAOYSA-N 0 1 291.341 3.784 20 0 CHADMN CCCCO[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001205148028 1133536007 /nfs/dbraw/zinc/53/60/07/1133536007.db2.gz CMTXVXGOYZEMFO-OAHLLOKOSA-N 0 1 267.800 3.731 20 0 CHADMN Cc1cc(CN2CC[C@H](F)C(F)(F)CC2)ccc1F ZINC001205161193 1133539129 /nfs/dbraw/zinc/53/91/29/1133539129.db2.gz CBJHBLAXIYTREG-ZDUSSCGKSA-N 0 1 275.289 3.703 20 0 CHADMN Cc1cc(C)c2c(c1)C[N@H+](Cc1cnn(C3CCC3)c1)CC2 ZINC001205446840 1133577758 /nfs/dbraw/zinc/57/77/58/1133577758.db2.gz QYZFSQAAYACGMJ-UHFFFAOYSA-N 0 1 295.430 3.783 20 0 CHADMN Cc1cc(C)c2c(c1)CN(Cc1cnn(C3CCC3)c1)CC2 ZINC001205446840 1133577765 /nfs/dbraw/zinc/57/77/65/1133577765.db2.gz QYZFSQAAYACGMJ-UHFFFAOYSA-N 0 1 295.430 3.783 20 0 CHADMN FC(F)(F)c1ccc(C[N@H+]2CCCC3(CCC3)C2)cn1 ZINC001205449367 1133578184 /nfs/dbraw/zinc/57/81/84/1133578184.db2.gz GRPWZPQWARXVLT-UHFFFAOYSA-N 0 1 284.325 3.867 20 0 CHADMN Cc1cc(F)c(CN2CCSC(C)(C)CC2)c(F)c1 ZINC001205583850 1133590693 /nfs/dbraw/zinc/59/06/93/1133590693.db2.gz WXRJAOPLZHMUOR-UHFFFAOYSA-N 0 1 285.403 3.991 20 0 CHADMN Cc1ccc(F)c(CN2CCN(C)C[C@H]2c2ccccc2)c1 ZINC001205612244 1133595192 /nfs/dbraw/zinc/59/51/92/1133595192.db2.gz UARNRLBXZMAIOM-IBGZPJMESA-N 0 1 298.405 3.623 20 0 CHADMN C=Cc1cccc(-c2ccc(CCN3CCOCC3)cc2)c1 ZINC001205654821 1133599585 /nfs/dbraw/zinc/59/95/85/1133599585.db2.gz OYXXYTQEUNBLFO-UHFFFAOYSA-N 0 1 293.410 3.871 20 0 CHADMN Fc1ccc(-c2ccc3cncn3c2)c(Cl)c1F ZINC001205675724 1133600630 /nfs/dbraw/zinc/60/06/30/1133600630.db2.gz MKWUYPHRNZXGFK-UHFFFAOYSA-N 0 1 264.662 3.933 20 0 CHADMN Clc1ccc(C2CN(C[C@@H]3CC3(Cl)Cl)C2)cc1 ZINC001205842243 1133621289 /nfs/dbraw/zinc/62/12/89/1133621289.db2.gz XNIRJSUOHLPMME-NSHDSACASA-N 0 1 290.621 3.933 20 0 CHADMN CC(C)C[C@]1(C)CCC[N@@H+]1Cc1ccc([O-])c(F)c1 ZINC001205908617 1133628786 /nfs/dbraw/zinc/62/87/86/1133628786.db2.gz UWYJVGMDUKVZLA-INIZCTEOSA-N 0 1 265.372 3.932 20 0 CHADMN CC(C)C[C@]1(C)CCC[N@H+]1Cc1ccc([O-])c(F)c1 ZINC001205908617 1133628791 /nfs/dbraw/zinc/62/87/91/1133628791.db2.gz UWYJVGMDUKVZLA-INIZCTEOSA-N 0 1 265.372 3.932 20 0 CHADMN Fc1ccc(Cl)cc1CN1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001206007061 1133641387 /nfs/dbraw/zinc/64/13/87/1133641387.db2.gz KUJQCHLUUIJXMX-SKDRFNHKSA-N 0 1 289.728 3.956 20 0 CHADMN CSc1ccc(-c2cc3[nH]cnc3cn2)c(C)c1 ZINC001206070327 1133652646 /nfs/dbraw/zinc/65/26/46/1133652646.db2.gz DMWIVCLNVKOENT-UHFFFAOYSA-N 0 1 255.346 3.655 20 0 CHADMN [O-]c1ccc(F)c(C[NH2+]C[C@@H]2CC3CCC2CC3)c1F ZINC001206400716 1133698308 /nfs/dbraw/zinc/69/83/08/1133698308.db2.gz KPALQSHBCDKQPR-MCIGGMRASA-N 0 1 281.346 3.586 20 0 CHADMN CC[C@@H]1CCCC[C@H]1CN1Cc2ccccc2NC(=O)C1 ZINC001206456801 1133704652 /nfs/dbraw/zinc/70/46/52/1133704652.db2.gz PXACDPYPSPGFAA-CABCVRRESA-N 0 1 286.419 3.657 20 0 CHADMN CCN(C)C(=O)c1cccc(-c2cc3nc[nH]c3c(C)c2)c1 ZINC001206492773 1133710485 /nfs/dbraw/zinc/71/04/85/1133710485.db2.gz DABZMTYPSLJHCC-UHFFFAOYSA-N 0 1 293.370 3.630 20 0 CHADMN CC[C@@H]1CN(Cc2cc3ccccc3n2C)[C@@H](CC)CO1 ZINC001206567339 1133719126 /nfs/dbraw/zinc/71/91/26/1133719126.db2.gz BIDDKUVWDIJINK-DOTOQJQBSA-N 0 1 286.419 3.568 20 0 CHADMN Cc1ccnc(N[C@H](C)[C@H]2CCCCO2)c1C1CC1 ZINC001206590189 1133723525 /nfs/dbraw/zinc/72/35/25/1133723525.db2.gz JUMKVNOBVGBMOF-TZMCWYRMSA-N 0 1 260.381 3.637 20 0 CHADMN COc1cccnc1CN1CCC[C@H]1c1cccc(C)c1 ZINC001206610526 1133727819 /nfs/dbraw/zinc/72/78/19/1133727819.db2.gz JRDDZQLABQWMHE-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN COc1cccnc1CN1CCC[C@@H]1c1cccc(C)c1 ZINC001206610527 1133727892 /nfs/dbraw/zinc/72/78/92/1133727892.db2.gz JRDDZQLABQWMHE-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN Cc1nc2cccc(-c3cc(OC(C)C)ncc3F)c2[nH]1 ZINC001206634379 1133729705 /nfs/dbraw/zinc/72/97/05/1133729705.db2.gz BVLHDWPZCUFBHD-UHFFFAOYSA-N 0 1 285.322 3.860 20 0 CHADMN CCC(F)(F)CN[C@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001206691562 1133733758 /nfs/dbraw/zinc/73/37/58/1133733758.db2.gz JWUCUACQWRVGGB-HOCLYGCPSA-N 0 1 296.405 3.674 20 0 CHADMN CC[C@@H](CN1CCO[C@@](C)(C(F)F)C1)c1ccccc1 ZINC001206727714 1133736696 /nfs/dbraw/zinc/73/66/96/1133736696.db2.gz KVCSQWSGCDSWET-XJKSGUPXSA-N 0 1 283.362 3.536 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1ccc(C)cc1OC)C2 ZINC001206740907 1133738845 /nfs/dbraw/zinc/73/88/45/1133738845.db2.gz MIDPOZXRBOXYCD-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN COc1cc(C)ccc1CN1CCc2c(C)cccc2C1 ZINC001206742143 1133738955 /nfs/dbraw/zinc/73/89/55/1133738955.db2.gz XIIIVJVGJVGOHZ-UHFFFAOYSA-N 0 1 281.399 3.870 20 0 CHADMN Cc1ccc2ncnc(-c3cc(F)c(O)cc3F)c2c1 ZINC001206755977 1133742579 /nfs/dbraw/zinc/74/25/79/1133742579.db2.gz SJTCIOQPZYEOFQ-UHFFFAOYSA-N 0 1 272.254 3.589 20 0 CHADMN Cc1ccc2c(c1)ncnc2-c1cc(F)c(O)cc1F ZINC001206761922 1133743206 /nfs/dbraw/zinc/74/32/06/1133743206.db2.gz PBKOQCCVEFHITH-UHFFFAOYSA-N 0 1 272.254 3.589 20 0 CHADMN CCCn1cc(CN2CC(Cc3cccc(C)c3)C2)c(C)n1 ZINC001206761247 1133744014 /nfs/dbraw/zinc/74/40/14/1133744014.db2.gz BOOYJKQLWUKSLH-UHFFFAOYSA-N 0 1 297.446 3.584 20 0 CHADMN Cc1nc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)cs1 ZINC001206806385 1133751723 /nfs/dbraw/zinc/75/17/23/1133751723.db2.gz YFDDXGHFCHPYOY-BETUJISGSA-N 0 1 270.401 3.538 20 0 CHADMN Fc1ccc(-c2cc(CN3CCC[C@H](F)CC3)no2)cc1 ZINC001206830545 1133753445 /nfs/dbraw/zinc/75/34/45/1133753445.db2.gz AQYSLVHOCXJEDT-ZDUSSCGKSA-N 0 1 292.329 3.805 20 0 CHADMN COc1ccc(-c2cc(CN3CC4CCC3CC4)no2)cc1 ZINC001206830042 1133753802 /nfs/dbraw/zinc/75/38/02/1133753802.db2.gz UUCDQVCBFCXJGE-UHFFFAOYSA-N 0 1 298.386 3.725 20 0 CHADMN Fc1ccc(-c2cc(CN3CCC4(CCC4)C3)no2)cc1 ZINC001206837398 1133754350 /nfs/dbraw/zinc/75/43/50/1133754350.db2.gz ZFUKTGOBAOMXPB-UHFFFAOYSA-N 0 1 286.350 3.857 20 0 CHADMN C[C@@H]1CCCCN1Cc1cc(-c2ccc(F)cc2)on1 ZINC001206832399 1133754715 /nfs/dbraw/zinc/75/47/15/1133754715.db2.gz APHXXXYDLBKFPH-GFCCVEGCSA-N 0 1 274.339 3.855 20 0 CHADMN Fc1cncc(F)c1CN1CCC[C@@H]1C1CCCCC1 ZINC001206860136 1133757290 /nfs/dbraw/zinc/75/72/90/1133757290.db2.gz SMRICOAWEGDABD-MRXNPFEDSA-N 0 1 280.362 3.905 20 0 CHADMN CCCCC1CCN(Cc2cncc(F)c2)CC1 ZINC001207018884 1133759720 /nfs/dbraw/zinc/75/97/20/1133759720.db2.gz QTXRJIQCQFUEAL-UHFFFAOYSA-N 0 1 250.361 3.623 20 0 CHADMN CC[N@@H+](Cc1ccc(C)c(C)c1)Cc1ccc(F)cn1 ZINC001207044061 1133761181 /nfs/dbraw/zinc/76/11/81/1133761181.db2.gz RIFOWNZFSJSVAC-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN CCN(Cc1ccc(C)c(C)c1)Cc1ccc(F)cn1 ZINC001207044061 1133761185 /nfs/dbraw/zinc/76/11/85/1133761185.db2.gz RIFOWNZFSJSVAC-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2ncccc2F)cc1 ZINC001207032197 1133761483 /nfs/dbraw/zinc/76/14/83/1133761483.db2.gz HUJCOXZTXHVGGK-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@H]1C[C@H]1C[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC001207044412 1133761573 /nfs/dbraw/zinc/76/15/73/1133761573.db2.gz NAIHNCWPUAEPTB-JQWIXIFHSA-N 0 1 269.310 3.720 20 0 CHADMN C[C@@H]1C[C@@H]1C[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC001207044416 1133761918 /nfs/dbraw/zinc/76/19/18/1133761918.db2.gz NAIHNCWPUAEPTB-ZYHUDNBSSA-N 0 1 269.310 3.720 20 0 CHADMN CCCCC1CCN(Cc2ncccc2F)CC1 ZINC001207028529 1133762096 /nfs/dbraw/zinc/76/20/96/1133762096.db2.gz IIEGIZBPMDDKFJ-UHFFFAOYSA-N 0 1 250.361 3.623 20 0 CHADMN CCc1nccc(CN(C)Cc2ccc3ccccc3c2)n1 ZINC001207089395 1133765620 /nfs/dbraw/zinc/76/56/20/1133765620.db2.gz LGKPYRAFERXABF-UHFFFAOYSA-N 0 1 291.398 3.824 20 0 CHADMN CCc1nccc(CN2CCc3ccccc3[C@@H]2CC)n1 ZINC001207093399 1133767568 /nfs/dbraw/zinc/76/75/68/1133767568.db2.gz WCLXJOVOFDETTR-KRWDZBQOSA-N 0 1 281.403 3.548 20 0 CHADMN CCN(CCOCc1ccccc1)Cc1ccccc1F ZINC001207236414 1133781345 /nfs/dbraw/zinc/78/13/45/1133781345.db2.gz HOUVNEYJVWPYOC-UHFFFAOYSA-N 0 1 287.378 3.864 20 0 CHADMN CC1=CC[C@H](CCN2CCn3cccc3C2)C1(C)C ZINC001207278309 1133786640 /nfs/dbraw/zinc/78/66/40/1133786640.db2.gz BZTJGSRXAJVYDJ-OAHLLOKOSA-N 0 1 258.409 3.686 20 0 CHADMN C[C@@]1(F)CCN(CC2CCC(F)(F)CC2)C[C@H]1F ZINC001207342751 1133793053 /nfs/dbraw/zinc/79/30/53/1133793053.db2.gz NAJZMFWKZAIKBQ-VXGBXAGGSA-N 0 1 267.310 3.584 20 0 CHADMN COc1ccccc1CCN1CCC[C@H]1c1nccs1 ZINC001207458824 1133803320 /nfs/dbraw/zinc/80/33/20/1133803320.db2.gz HGYCSLNNTFGWQQ-AWEZNQCLSA-N 0 1 288.416 3.531 20 0 CHADMN Fc1ccccc1CCCN1CCOC2(CCCCC2)C1 ZINC001207495156 1133809763 /nfs/dbraw/zinc/80/97/63/1133809763.db2.gz SGJVEZSYWCYESR-UHFFFAOYSA-N 0 1 291.410 3.793 20 0 CHADMN C[C@@H]1C(=O)CC[N@@H+](CCc2ccc(F)cc2)C12CCCC2 ZINC001207517806 1133811452 /nfs/dbraw/zinc/81/14/52/1133811452.db2.gz FJXCQDJOTBHAHB-CQSZACIVSA-N 0 1 289.394 3.592 20 0 CHADMN Fc1ccc(CCN2CCC[C@H]2c2nccs2)cc1 ZINC001207515043 1133811784 /nfs/dbraw/zinc/81/17/84/1133811784.db2.gz HOTXCJHWJFODMO-AWEZNQCLSA-N 0 1 276.380 3.662 20 0 CHADMN Cc1cc([C@H]2CCCN2CCc2ccc(F)cc2)no1 ZINC001207512043 1133812386 /nfs/dbraw/zinc/81/23/86/1133812386.db2.gz ZOOVPYCQHPSUIU-MRXNPFEDSA-N 0 1 274.339 3.502 20 0 CHADMN CC(=O)c1ccc2c(c1)C[N@H+](CCc1ccc(F)cc1)CC2 ZINC001207517697 1133812497 /nfs/dbraw/zinc/81/24/97/1133812497.db2.gz WCHGSMPJIINPOM-UHFFFAOYSA-N 0 1 297.373 3.629 20 0 CHADMN CC(=O)c1ccc2c(c1)CN(CCc1ccc(F)cc1)CC2 ZINC001207517697 1133812503 /nfs/dbraw/zinc/81/25/03/1133812503.db2.gz WCHGSMPJIINPOM-UHFFFAOYSA-N 0 1 297.373 3.629 20 0 CHADMN Cc1cccc(CCN2CCCC(F)(F)[C@@H](F)C2)c1 ZINC001207533171 1133815462 /nfs/dbraw/zinc/81/54/62/1133815462.db2.gz SPLJSPAJEDLBEH-AWEZNQCLSA-N 0 1 271.326 3.607 20 0 CHADMN Clc1cccc(CCCN2CCn3cccc3C2)c1 ZINC001207589460 1133823897 /nfs/dbraw/zinc/82/38/97/1133823897.db2.gz MEKOZGSJGLVRHQ-UHFFFAOYSA-N 0 1 274.795 3.590 20 0 CHADMN CCCN(CCCc1cccc(Cl)c1)CC(=O)OCC ZINC001207593224 1133824267 /nfs/dbraw/zinc/82/42/67/1133824267.db2.gz GEIOGCJXLTVOIV-UHFFFAOYSA-N 0 1 297.826 3.548 20 0 CHADMN O=C1C[C@H]2CCC[C@@H](C1)N2CCCc1cccc(Cl)c1 ZINC001207590131 1133824720 /nfs/dbraw/zinc/82/47/20/1133824720.db2.gz DFKQCTPNSNIIBZ-IYBDPMFKSA-N 0 1 291.822 3.859 20 0 CHADMN Clc1cccc(CCCN2CCOCC23CCC3)c1 ZINC001207590358 1133824790 /nfs/dbraw/zinc/82/47/90/1133824790.db2.gz HQBIHPODMMLTLV-UHFFFAOYSA-N 0 1 279.811 3.528 20 0 CHADMN C[C@@]1(F)CCN(CCCc2cccc(F)c2)C[C@@H]1F ZINC001207599752 1133827071 /nfs/dbraw/zinc/82/70/71/1133827071.db2.gz VWJXTTDZOISNSW-LSDHHAIUSA-N 0 1 271.326 3.530 20 0 CHADMN O=C1CCN(CC2(c3ccccc3)CC2)[C@H]2CCCC[C@H]12 ZINC001207831177 1133851677 /nfs/dbraw/zinc/85/16/77/1133851677.db2.gz OWCZUDASIVZALK-IRXDYDNUSA-N 0 1 283.415 3.552 20 0 CHADMN c1ccc(C2(C[N@H+]3CCOC4(CCCCC4)C3)CC2)cc1 ZINC001207839455 1133853992 /nfs/dbraw/zinc/85/39/92/1133853992.db2.gz OLNYRTXCKCNLED-UHFFFAOYSA-N 0 1 285.431 3.753 20 0 CHADMN COC1(CN2CCc3cc(F)cc(F)c3C2)CCCCC1 ZINC001207858452 1133854627 /nfs/dbraw/zinc/85/46/27/1133854627.db2.gz QAZXFJHUIWMKLK-UHFFFAOYSA-N 0 1 295.373 3.672 20 0 CHADMN C[C@H](CCN1CC(Oc2ccccc2)C1)c1ccccc1 ZINC001207864966 1133855894 /nfs/dbraw/zinc/85/58/94/1133855894.db2.gz JEVSDSFNDBIHTF-MRXNPFEDSA-N 0 1 281.399 3.943 20 0 CHADMN C[C@@H](Cc1ccc(C(C)(C)C)cc1)CN1CC2(CCO2)C1 ZINC001207918671 1133864401 /nfs/dbraw/zinc/86/44/01/1133864401.db2.gz WQDZETGDWAVFSL-HNNXBMFYSA-N 0 1 287.447 3.637 20 0 CHADMN CC(C)c1ccc(C[C@H](C)CN2CC3(C2)CCCO3)cc1 ZINC001207933411 1133865207 /nfs/dbraw/zinc/86/52/07/1133865207.db2.gz ZIQGMXUTFKWNSM-INIZCTEOSA-N 0 1 287.447 3.853 20 0 CHADMN Fc1ccc(F)c([C@@H]2CCCN2C[C@H]2CCCCO2)c1 ZINC001207957746 1133870295 /nfs/dbraw/zinc/87/02/95/1133870295.db2.gz YVXOUAYFMUMQBA-CJNGLKHVSA-N 0 1 281.346 3.671 20 0 CHADMN CC/C=C\CCCCCN1CCC(=O)C(C)(C)C1 ZINC001208195272 1133905088 /nfs/dbraw/zinc/90/50/88/1133905088.db2.gz VXANLCJTUQSUER-WAYWQWQTSA-N 0 1 251.414 3.814 20 0 CHADMN CS[C@@H](C)CCN1CCc2c3ccccc3oc2C1 ZINC001208156376 1133889643 /nfs/dbraw/zinc/88/96/43/1133889643.db2.gz XEAWCBJJMGDFEL-LBPRGKRZSA-N 0 1 275.417 3.933 20 0 CHADMN CC(=O)[C@@H]1CCCCN1CC[C@@H](C)c1ccc(C)o1 ZINC001208171034 1133897077 /nfs/dbraw/zinc/89/70/77/1133897077.db2.gz YKDSQSCVEWBSOH-DOMZBBRYSA-N 0 1 263.381 3.525 20 0 CHADMN Fc1cccc(CCN2CC[C@@H]2COCc2ccccc2)c1 ZINC001208196904 1133906330 /nfs/dbraw/zinc/90/63/30/1133906330.db2.gz DUTRSJCQOWWIHD-LJQANCHMSA-N 0 1 299.389 3.659 20 0 CHADMN COC(C)(C)CCC[C@H](C)CCN(C)Cc1cnccn1 ZINC001208204714 1133907558 /nfs/dbraw/zinc/90/75/58/1133907558.db2.gz DNYQJOZKNNVTCR-HNNXBMFYSA-N 0 1 293.455 3.530 20 0 CHADMN COC(C)(C)CCC[C@H](C)CCN1CC2(C1)CCCCO2 ZINC001208210210 1133909702 /nfs/dbraw/zinc/90/97/02/1133909702.db2.gz RNJGUZQSUSTCOY-INIZCTEOSA-N 0 1 297.483 3.863 20 0 CHADMN CCSC[C@@H](C)N[C@H](c1ccccc1)c1ccccn1 ZINC000166112414 1133914229 /nfs/dbraw/zinc/91/42/29/1133914229.db2.gz BUXVCPGSSWRKEY-RHSMWYFYSA-N 0 1 286.444 3.902 20 0 CHADMN COCc1noc2c1CN(CC[C@H](C)CC(C)(C)C)CC2 ZINC001208661954 1133924917 /nfs/dbraw/zinc/92/49/17/1133924917.db2.gz ZCFFWELVZYWXHT-ZDUSSCGKSA-N 0 1 294.439 3.642 20 0 CHADMN CO[C@H]1CN(C[C@@H](C)c2cccc3ccccc32)C[C@@H]1F ZINC001208707264 1133933256 /nfs/dbraw/zinc/93/32/56/1133933256.db2.gz RIZTYTPYKZMJGT-BVGQSLNGSA-N 0 1 287.378 3.612 20 0 CHADMN C[C@@H](CN1CCn2nccc2C1)c1cccc2ccccc21 ZINC001208711189 1133934492 /nfs/dbraw/zinc/93/44/92/1133934492.db2.gz UPWCUFUFMWKLOS-HNNXBMFYSA-N 0 1 291.398 3.656 20 0 CHADMN CC(C)CCCN(Cc1cccnc1)Cc1cccnc1 ZINC001208735562 1133937555 /nfs/dbraw/zinc/93/75/55/1133937555.db2.gz MYMZDLDIBNGAHE-UHFFFAOYSA-N 0 1 283.419 3.915 20 0 CHADMN CC/C=C\CCN1CCc2cc(F)c(F)cc2C1 ZINC001208733034 1133937822 /nfs/dbraw/zinc/93/78/22/1133937822.db2.gz AZVJTHRNIGXORH-ARJAWSKDSA-N 0 1 251.320 3.679 20 0 CHADMN CN(CCCc1ccccc1Cl)Cc1cncs1 ZINC001208874229 1133956747 /nfs/dbraw/zinc/95/67/47/1133956747.db2.gz KELUBKMUMIDBBH-UHFFFAOYSA-N 0 1 280.824 3.861 20 0 CHADMN c1cn2cc(NC3=CCN(c4ccccc4)CC3)ccc2n1 ZINC001209008986 1133969987 /nfs/dbraw/zinc/96/99/87/1133969987.db2.gz CFZQMSNMQXMIJP-UHFFFAOYSA-N 0 1 290.370 3.540 20 0 CHADMN COc1ccc(C)nc1NC1=CCN(c2ccccc2)CC1 ZINC001209041097 1133970579 /nfs/dbraw/zinc/97/05/79/1133970579.db2.gz HCSUCGUWAOZJGE-UHFFFAOYSA-N 0 1 295.386 3.605 20 0 CHADMN FC1CCN(CCc2ccc(Cl)cc2Cl)CC1 ZINC001209078954 1133972248 /nfs/dbraw/zinc/97/22/48/1133972248.db2.gz QPDKKSQIWWUBKR-UHFFFAOYSA-N 0 1 276.182 3.970 20 0 CHADMN C[C@@H]1CN(CCc2ccc(Cl)cc2Cl)CCCO1 ZINC001209077828 1133972455 /nfs/dbraw/zinc/97/24/55/1133972455.db2.gz CCEPCQRMOAPLDP-LLVKDONJSA-N 0 1 288.218 3.647 20 0 CHADMN CO[C@@H](C)C1CN(CCc2c(Cl)cccc2Cl)C1 ZINC001209108911 1133975594 /nfs/dbraw/zinc/97/55/94/1133975594.db2.gz XOEVRIFQCZFEJA-JTQLQIEISA-N 0 1 288.218 3.503 20 0 CHADMN Fc1cc(F)c(CC[N@H+]2CC3CCC2CC3)cc1F ZINC001209253726 1133996709 /nfs/dbraw/zinc/99/67/09/1133996709.db2.gz WKBWYGQAWONKIX-UHFFFAOYSA-N 0 1 269.310 3.521 20 0 CHADMN CN(CCc1ccc(F)c(F)c1)Cc1ccc(F)cc1F ZINC001209246595 1133996968 /nfs/dbraw/zinc/99/69/68/1133996968.db2.gz ULBBXWWIGRKYGA-UHFFFAOYSA-N 0 1 297.295 3.918 20 0 CHADMN FC(F)(F)c1ccccc1CCN1CCC[C@H]2C[C@H]21 ZINC001209281409 1134000115 /nfs/dbraw/zinc/00/01/15/1134000115.db2.gz FQXQGEVJQMCBBS-GXTWGEPZSA-N 0 1 269.310 3.732 20 0 CHADMN C[C@H]1CC(CN2CCc3c4ccccc4oc3C2)C[C@H](C)O1 ZINC001209398306 1134011637 /nfs/dbraw/zinc/01/16/37/1134011637.db2.gz NLBCHMFGOHQMBB-KBPBESRZSA-N 0 1 299.414 3.995 20 0 CHADMN Cc1cccc2c(CN3CCOc4ccccc4C3)c[nH]c21 ZINC001209491501 1134027385 /nfs/dbraw/zinc/02/73/85/1134027385.db2.gz WAFYLMOMKXOELO-UHFFFAOYSA-N 0 1 292.382 3.871 20 0 CHADMN Cc1ccc2[nH]cc(CN3CC[C@@H](C)[C@H](F)C3)c2c1 ZINC001209491038 1134027827 /nfs/dbraw/zinc/02/78/27/1134027827.db2.gz LZCQCNHVEWECLK-IUODEOHRSA-N 0 1 260.356 3.656 20 0 CHADMN C[C@]1(F)CCCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001209509926 1134033182 /nfs/dbraw/zinc/03/31/82/1134033182.db2.gz NPHZFTKVDAHZRF-INIZCTEOSA-N 0 1 260.356 3.882 20 0 CHADMN CCc1ccc(CN(C)Cc2c3ccccc3nn2C)cc1 ZINC001209539698 1134037414 /nfs/dbraw/zinc/03/74/14/1134037414.db2.gz JKFIJEPYKSVFMO-UHFFFAOYSA-N 0 1 293.414 3.768 20 0 CHADMN Clc1cnc2[nH]cc(C[N@H+]3CCc4ccccc4C3)c2c1 ZINC001209591686 1134038071 /nfs/dbraw/zinc/03/80/71/1134038071.db2.gz AVZVASYDBCBKDB-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN Clc1cnc2[nH]cc(CN3CCc4ccccc4C3)c2c1 ZINC001209591686 1134038078 /nfs/dbraw/zinc/03/80/78/1134038078.db2.gz AVZVASYDBCBKDB-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN Cc1cc(Cl)ncc1CN1CCC[C@@](C)(F)CC1 ZINC001209628941 1134042817 /nfs/dbraw/zinc/04/28/17/1134042817.db2.gz ULHQIWNMUQUJRY-CQSZACIVSA-N 0 1 270.779 3.758 20 0 CHADMN Cc1nc2ccccn2c1CN1CCC[C@H]2CCCC[C@@H]21 ZINC001209651454 1134046962 /nfs/dbraw/zinc/04/69/62/1134046962.db2.gz VYVBYYZGJHAQEZ-CVEARBPZSA-N 0 1 283.419 3.797 20 0 CHADMN Clc1c[nH]c2cccc(CN3CC(c4cccnc4)C3)c12 ZINC001209659949 1134048929 /nfs/dbraw/zinc/04/89/29/1134048929.db2.gz XFZCPSRMWRQJCJ-UHFFFAOYSA-N 0 1 297.789 3.816 20 0 CHADMN Clc1ccc2[nH]c(CN3CCC[C@]4(CCO4)C3)cc2c1 ZINC001209722261 1134053506 /nfs/dbraw/zinc/05/35/06/1134053506.db2.gz ZEMPVORBPQJISJ-INIZCTEOSA-N 0 1 290.794 3.576 20 0 CHADMN Clc1ccc2[nH]nc(C[NH+]3CCC4(CCC4)CC3)c2c1 ZINC001209752068 1134056472 /nfs/dbraw/zinc/05/64/72/1134056472.db2.gz BEKDAMLUTILPJM-UHFFFAOYSA-N 0 1 289.810 3.982 20 0 CHADMN C[C@@H]1CCCCC[N@H+]1Cc1[nH]nc2ccc(Cl)cc21 ZINC001209756858 1134061604 /nfs/dbraw/zinc/06/16/04/1134061604.db2.gz QDPDIRMJFSVOEH-LLVKDONJSA-N 0 1 277.799 3.981 20 0 CHADMN c1nc2ccc(Nc3cccnc3N3CCCCC3)cc2[nH]1 ZINC001209843013 1134078407 /nfs/dbraw/zinc/07/84/07/1134078407.db2.gz TYSLAVUEFFXUHF-UHFFFAOYSA-N 0 1 293.374 3.692 20 0 CHADMN COc1ccc(Cl)cc1Nc1ccc2nc[nH]c2c1 ZINC001209847898 1134080679 /nfs/dbraw/zinc/08/06/79/1134080679.db2.gz GHCDVXWUOMJFGG-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN c1nc2ccc(Nc3ccc4ncsc4c3)cc2[nH]1 ZINC001209848173 1134082609 /nfs/dbraw/zinc/08/26/09/1134082609.db2.gz JIWMFAWTRFFGCZ-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN COc1ccc2cc(Nc3ccc4nc[nH]c4c3)ccc2n1 ZINC001209849016 1134083098 /nfs/dbraw/zinc/08/30/98/1134083098.db2.gz SJYREQOXOXBQCQ-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN FC(F)(F)Oc1ccnc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209849164 1134083702 /nfs/dbraw/zinc/08/37/02/1134083702.db2.gz YKVJYBLLETXCAI-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN Fc1cccc(-n2nccc2Nc2ccc3nc[nH]c3c2)c1 ZINC001209849215 1134084329 /nfs/dbraw/zinc/08/43/29/1134084329.db2.gz VOKREWVZOGOEIJ-UHFFFAOYSA-N 0 1 293.305 3.631 20 0 CHADMN Clc1cc(Nc2ccc3nc[nH]c3c2)cn2ccnc12 ZINC001209848467 1134084394 /nfs/dbraw/zinc/08/43/94/1134084394.db2.gz ONOXJVRJZNNIPM-UHFFFAOYSA-N 0 1 283.722 3.608 20 0 CHADMN Fc1ccc2cc(Nc3ccc4nc[nH]c4c3)cnc2c1 ZINC001209849303 1134084766 /nfs/dbraw/zinc/08/47/66/1134084766.db2.gz WQNCNNDAYDWOQH-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Cc1cnn(CC2CCC2)c1Nc1ccc2nc[nH]c2c1 ZINC001209848514 1134085270 /nfs/dbraw/zinc/08/52/70/1134085270.db2.gz PGVBLHHDWRCJOY-UHFFFAOYSA-N 0 1 281.363 3.612 20 0 CHADMN c1coc(-c2ccc(Nc3ccc4nc[nH]c4c3)cc2)n1 ZINC001209852143 1134086024 /nfs/dbraw/zinc/08/60/24/1134086024.db2.gz VGEMOMZQZYKXAT-UHFFFAOYSA-N 0 1 276.299 3.962 20 0 CHADMN Fc1cncc2cccc(Nc3ccc4nc[nH]c4c3)c12 ZINC001209852093 1134086176 /nfs/dbraw/zinc/08/61/76/1134086176.db2.gz USVMYLBGTIECTD-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Cc1cc(Cl)c(Nc2ccc3nc[nH]c3c2)cc1O ZINC001209851671 1134086759 /nfs/dbraw/zinc/08/67/59/1134086759.db2.gz NMFRVFATTATWBY-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN C=Cc1ccccc1Nc1cccc(N2CCN(C)CC2)c1 ZINC001209942641 1134104794 /nfs/dbraw/zinc/10/47/94/1134104794.db2.gz IVFASFPPZHFQGQ-UHFFFAOYSA-N 0 1 293.414 3.825 20 0 CHADMN Cc1cc(N)ncc1Nc1ccccc1-n1cccc1 ZINC001209970538 1134112201 /nfs/dbraw/zinc/11/22/01/1134112201.db2.gz WZDISBBKCAOGKV-UHFFFAOYSA-N 0 1 264.332 3.507 20 0 CHADMN Cc1cc(N)ncc1Nc1c(F)cccc1OC(C)C ZINC001209970919 1134112453 /nfs/dbraw/zinc/11/24/53/1134112453.db2.gz JUOCKYNVNHLDFI-UHFFFAOYSA-N 0 1 275.327 3.642 20 0 CHADMN CC(=O)c1ccc(Nc2cnc(N)cc2C)cc1Cl ZINC001209970678 1134112512 /nfs/dbraw/zinc/11/25/12/1134112512.db2.gz APOMMDGSYVXCOH-UHFFFAOYSA-N 0 1 275.739 3.572 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(C(C)(C)C)ccc1N ZINC001209968820 1134112708 /nfs/dbraw/zinc/11/27/08/1134112708.db2.gz CJQAAVDFERCMCV-UHFFFAOYSA-N 0 1 270.380 3.596 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(F)c(OC(C)C)c(F)c1 ZINC001209971357 1134112790 /nfs/dbraw/zinc/11/27/90/1134112790.db2.gz XSPHKQITWVHFPV-UHFFFAOYSA-N 0 1 293.317 3.781 20 0 CHADMN Cc1cc(N)ncc1Nc1ccccc1-c1ccncc1 ZINC001209970809 1134112854 /nfs/dbraw/zinc/11/28/54/1134112854.db2.gz DXKIJBJXRMEJIA-UHFFFAOYSA-N 0 1 276.343 3.778 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(Cl)c2ncccc12 ZINC001209969817 1134112953 /nfs/dbraw/zinc/11/29/53/1134112953.db2.gz QRWNVOUZXSVMGZ-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc(Oc2cccnc2)c1 ZINC001209971194 1134112966 /nfs/dbraw/zinc/11/29/66/1134112966.db2.gz SQTSDPYJYCCEAQ-UHFFFAOYSA-N 0 1 292.342 3.903 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc(OC(C)C)c(F)c3)c2c1 ZINC001209995106 1134119405 /nfs/dbraw/zinc/11/94/05/1134119405.db2.gz JMDWBGLIBIGAQU-UHFFFAOYSA-N 0 1 299.349 3.842 20 0 CHADMN CC(C)Oc1ccc(Nc2cc(=O)[nH]c(Cl)n2)cc1F ZINC001209997218 1134120021 /nfs/dbraw/zinc/12/00/21/1134120021.db2.gz VBOUSJPTPUZGIY-UHFFFAOYSA-N 0 1 297.717 3.506 20 0 CHADMN c1cc(Nc2ccc3cccnc3c2)n(-c2ccncc2)n1 ZINC001210055983 1134138857 /nfs/dbraw/zinc/13/88/57/1134138857.db2.gz RNDJLLMRLMTMLM-UHFFFAOYSA-N 0 1 287.326 3.559 20 0 CHADMN COc1ccc(Nc2cc3cn[nH]c3cc2C)cc1F ZINC001210101066 1134145457 /nfs/dbraw/zinc/14/54/57/1134145457.db2.gz CZGSWIKECLHMNN-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN COC(=O)c1ccc(C)c(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210101807 1134145587 /nfs/dbraw/zinc/14/55/87/1134145587.db2.gz GAJHRZKMOAYMRW-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN CCc1ccc(O)c(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210101231 1134146013 /nfs/dbraw/zinc/14/60/13/1134146013.db2.gz BZYDPSMYRUALHT-UHFFFAOYSA-N 0 1 267.332 3.883 20 0 CHADMN COCCOc1ccc(Nc2cc3cn[nH]c3cc2C)cc1 ZINC001210101523 1134146374 /nfs/dbraw/zinc/14/63/74/1134146374.db2.gz HEQMNSJXDLWCIF-UHFFFAOYSA-N 0 1 297.358 3.640 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(-c2ccccn2)no1 ZINC001210101599 1134146576 /nfs/dbraw/zinc/14/65/76/1134146576.db2.gz HOKAZFQMJUFTOA-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN COC(=O)c1cccc(Nc2cc3cn[nH]c3cc2C)c1C ZINC001210101994 1134146665 /nfs/dbraw/zinc/14/66/65/1134146665.db2.gz LFFJRRVOVGAORF-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN COc1ccc(C)cc1Nc1cc2cn[nH]c2cc1C ZINC001210102641 1134146800 /nfs/dbraw/zinc/14/68/00/1134146800.db2.gz QSQRWXWFKGPQFX-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1snc2cccnc21 ZINC001210103200 1134147048 /nfs/dbraw/zinc/14/70/48/1134147048.db2.gz VYSNRZBKHJMPAG-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1cc(Nc2cc3cn[nH]c3cc2C)n(C2CCC2)n1 ZINC001210102817 1134147114 /nfs/dbraw/zinc/14/71/14/1134147114.db2.gz UULUAOFCPSWDCA-UHFFFAOYSA-N 0 1 281.363 3.845 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2c1OCC2 ZINC001210104688 1134147581 /nfs/dbraw/zinc/14/75/81/1134147581.db2.gz BBDUBAAYEJPRBT-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ncccc1OC(F)F ZINC001210103276 1134147980 /nfs/dbraw/zinc/14/79/80/1134147980.db2.gz ZKYWHYXFYCEDIS-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2c(c1)OCC2 ZINC001210105298 1134148074 /nfs/dbraw/zinc/14/80/74/1134148074.db2.gz VKXCYNSLWVAQFM-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(N)cc1C ZINC001210105058 1134148346 /nfs/dbraw/zinc/14/83/46/1134148346.db2.gz JGWHDYSJXDXIJR-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2ccc(=O)[nH]c21 ZINC001210107226 1134148973 /nfs/dbraw/zinc/14/89/73/1134148973.db2.gz WWJBAIFVDHDVNU-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2ncncc2c1 ZINC001210106615 1134149373 /nfs/dbraw/zinc/14/93/73/1134149373.db2.gz UWRYNODPCDQVRL-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1c(F)cc(Nc2ccnn2-c2ccncc2)cc1F ZINC001210107928 1134149782 /nfs/dbraw/zinc/14/97/82/1134149782.db2.gz FCKLFVXVEDWCPU-UHFFFAOYSA-N 0 1 286.285 3.598 20 0 CHADMN O=C([O-])c1ccc(Nc2cc[nH+]c(-c3ccccc3)c2)cn1 ZINC001210170801 1134159734 /nfs/dbraw/zinc/15/97/34/1134159734.db2.gz VGZZLCFJEMDEAQ-UHFFFAOYSA-N 0 1 291.310 3.585 20 0 CHADMN Cc1ncn(C)c1NC=Cc1ccccc1C(F)(F)F ZINC001210429006 1134212340 /nfs/dbraw/zinc/21/23/40/1134212340.db2.gz NXSSUNCANFJXBT-BQYQJAHWSA-N 0 1 281.281 3.830 20 0 CHADMN Cn1cncc1NC=Cc1ccccc1C(F)(F)F ZINC001210429720 1134212526 /nfs/dbraw/zinc/21/25/26/1134212526.db2.gz VIXKKYMZSBVTEL-VOTSOKGWSA-N 0 1 267.254 3.522 20 0 CHADMN NC(=O)c1cccc(N=C2CCCCCCC2)c1F ZINC001210450138 1134217423 /nfs/dbraw/zinc/21/74/23/1134217423.db2.gz USVNJCSRJFURPS-UHFFFAOYSA-N 0 1 262.328 3.575 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cccc([C@@H](C)O)c1 ZINC001210509310 1134235208 /nfs/dbraw/zinc/23/52/08/1134235208.db2.gz VGQKWYSPFNPJLQ-LLVKDONJSA-N 0 1 285.322 3.579 20 0 CHADMN Nc1cccc2cn(-c3cc(Cl)c(O)c(Cl)c3)nc21 ZINC001210928144 1134329730 /nfs/dbraw/zinc/32/97/30/1134329730.db2.gz WSIRTXWTJMVJCQ-UHFFFAOYSA-N 0 1 294.141 3.620 20 0 CHADMN CC(=Nc1cncc(N2CCCC2)c1)c1ccccc1 ZINC001210982752 1134341563 /nfs/dbraw/zinc/34/15/63/1134341563.db2.gz GFMFQQGZAYAWKZ-UHFFFAOYSA-N 0 1 265.360 3.765 20 0 CHADMN CC(=Nc1ccc(C(N)=O)c(Cl)c1)c1ccccc1 ZINC001210989618 1134343492 /nfs/dbraw/zinc/34/34/92/1134343492.db2.gz UGAKZLAOYQFEHF-UHFFFAOYSA-N 0 1 272.735 3.522 20 0 CHADMN C=C(Nc1cccc(F)c1OCCOC)c1ccccc1 ZINC001210990075 1134344599 /nfs/dbraw/zinc/34/45/99/1134344599.db2.gz ATBCOPARPJXJKF-UHFFFAOYSA-N 0 1 287.334 3.934 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(C(F)(F)F)nc1Cl ZINC001211199553 1134389750 /nfs/dbraw/zinc/38/97/50/1134389750.db2.gz MJPBEABVKNBHGZ-UHFFFAOYSA-N 0 1 290.676 3.539 20 0 CHADMN Cc1ccc(Br)c(C)c1Nc1cncn1C ZINC001211251259 1134399450 /nfs/dbraw/zinc/39/94/50/1134399450.db2.gz XJPYNDVJFUYTMM-UHFFFAOYSA-N 0 1 280.169 3.543 20 0 CHADMN Cn1cncc1Nc1cccc(F)c1OCC(C)(C)C ZINC001211252690 1134399997 /nfs/dbraw/zinc/39/99/97/1134399997.db2.gz VAIAKXXOQWENOJ-UHFFFAOYSA-N 0 1 277.343 3.728 20 0 CHADMN COc1ccc2[nH]ccc2c1-c1cc(F)c(O)cc1F ZINC001211349396 1134411300 /nfs/dbraw/zinc/41/13/00/1134411300.db2.gz FKWQJGRZEDYIOW-UHFFFAOYSA-N 0 1 275.254 3.827 20 0 CHADMN Cc1nc2cc(Nc3cc(Cl)ncc3C)ccc2[nH]1 ZINC001213071172 1134419267 /nfs/dbraw/zinc/41/92/67/1134419267.db2.gz CSLBUDWCWBESPE-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1nc2cc(Nc3cnc(Cl)c(C)c3)ccc2[nH]1 ZINC001213070325 1134419686 /nfs/dbraw/zinc/41/96/86/1134419686.db2.gz KRJCQCOGTISEEF-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1nc2cc(Nc3csc4nccnc34)ccc2[nH]1 ZINC001213071271 1134419847 /nfs/dbraw/zinc/41/98/47/1134419847.db2.gz JBGXLQZDXPRJMH-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1nc2ccc(Nc3csc4nccnc34)cc2[nH]1 ZINC001213071271 1134419850 /nfs/dbraw/zinc/41/98/50/1134419850.db2.gz JBGXLQZDXPRJMH-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1nc2ccc(Nc3c(C)nc4ccc(F)cn43)cc2o1 ZINC001213065993 1134419858 /nfs/dbraw/zinc/41/98/58/1134419858.db2.gz VNMMTZYZHKZAFK-UHFFFAOYSA-N 0 1 296.305 3.975 20 0 CHADMN Cc1nc2ccc(Nc3cnc(C4CC4)s3)cc2[nH]1 ZINC001213072077 1134420255 /nfs/dbraw/zinc/42/02/55/1134420255.db2.gz APEZYPZJMQXHKG-UHFFFAOYSA-N 0 1 270.361 3.949 20 0 CHADMN Cc1nc2cc(Nc3ccc(O)c(F)c3F)ccc2[nH]1 ZINC001213073837 1134420529 /nfs/dbraw/zinc/42/05/29/1134420529.db2.gz XMWFYLXCBONBSD-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN COc1ccc(Nc2ccc3[nH]c(C)nc3c2)c(F)c1 ZINC001213073269 1134420581 /nfs/dbraw/zinc/42/05/81/1134420581.db2.gz LMRRVXDXFGUYSV-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1nc2cc(Nc3ccc(-c4nnco4)cc3)ccc2[nH]1 ZINC001213074095 1134420771 /nfs/dbraw/zinc/42/07/71/1134420771.db2.gz CKOUMGQNCVFCND-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Cc1nc2ccc(Nc3c(Cl)cnnc3Cl)cc2[nH]1 ZINC001213072448 1134421723 /nfs/dbraw/zinc/42/17/23/1134421723.db2.gz UJNLLAIMUMYHHD-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1nc2cc(Nc3ccc4c(c3)COC4)ccc2[nH]1 ZINC001213073201 1134421734 /nfs/dbraw/zinc/42/17/34/1134421734.db2.gz IYAGSPWRVKAWTL-UHFFFAOYSA-N 0 1 265.316 3.645 20 0 CHADMN CCn1cc2cc(Nc3ccc4[nH]c(C)nc4c3)ccc2n1 ZINC001213074384 1134421819 /nfs/dbraw/zinc/42/18/19/1134421819.db2.gz RQVMAZTVIYYJKB-UHFFFAOYSA-N 0 1 291.358 3.985 20 0 CHADMN COc1ccc(Nc2ccc3[nH]c(C)nc3c2)cc1OC ZINC001213074115 1134421847 /nfs/dbraw/zinc/42/18/47/1134421847.db2.gz DNFIBDWAQVTOSC-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN Cc1cc(Nc2ccc3nc(C)[nH]c3c2)n(CC2CC2)n1 ZINC001213072499 1134421906 /nfs/dbraw/zinc/42/19/06/1134421906.db2.gz WXQLVVPHYDKMQO-UHFFFAOYSA-N 0 1 281.363 3.530 20 0 CHADMN Cc1nc2ccc(Nc3nc(C)c(C)nc3Cl)cc2[nH]1 ZINC001213072467 1134422060 /nfs/dbraw/zinc/42/20/60/1134422060.db2.gz VJNNWPSGNYIWFB-UHFFFAOYSA-N 0 1 287.754 3.675 20 0 CHADMN COc1ccc(F)c(Nc2ccc3nc(C)[nH]c3c2)c1F ZINC001213075562 1134422440 /nfs/dbraw/zinc/42/24/40/1134422440.db2.gz VPCZLTWEWMUOQQ-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1nc2cc(Nc3ccc(N)cc3C)ccc2[nH]1 ZINC001213075503 1134422886 /nfs/dbraw/zinc/42/28/86/1134422886.db2.gz UQNNNEJNASTHOA-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN CC(=O)c1cccnc1Nc1ccnc(C(C)(C)C)c1 ZINC001213163081 1134432668 /nfs/dbraw/zinc/43/26/68/1134432668.db2.gz UMGXUUIESPFITP-UHFFFAOYSA-N 0 1 269.348 3.720 20 0 CHADMN CC(C)(C)c1cc(-n2cc(-c3ccc(N)cc3)cn2)ccn1 ZINC001213168287 1134434314 /nfs/dbraw/zinc/43/43/14/1134434314.db2.gz CNTUSOYIOXBWGV-UHFFFAOYSA-N 0 1 292.386 3.814 20 0 CHADMN Fc1cccc(C2CC2)c1Nc1nonc1C1CC1 ZINC001213450116 1134449074 /nfs/dbraw/zinc/44/90/74/1134449074.db2.gz XVJJMSSTFQPSSI-UHFFFAOYSA-N 0 1 259.284 3.707 20 0 CHADMN Cc1ncn(C)c1Nc1cc(C)c(OC(C)C)c(C)c1 ZINC001213692332 1134478125 /nfs/dbraw/zinc/47/81/25/1134478125.db2.gz FJWMFRFWXMYXRL-UHFFFAOYSA-N 0 1 273.380 3.876 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)CN2CCC[C@@H](C)C2)cc1 ZINC000301493184 1134478462 /nfs/dbraw/zinc/47/84/62/1134478462.db2.gz XOFZLWWCUBTXQJ-HUUCEWRRSA-N 0 1 288.435 3.871 20 0 CHADMN O=c1cc(Nc2ccc3sccc3c2)nc(Cl)[nH]1 ZINC001213928672 1134497962 /nfs/dbraw/zinc/49/79/62/1134497962.db2.gz XTQCEXHCAQZDJO-UHFFFAOYSA-N 0 1 277.736 3.794 20 0 CHADMN CC(C)CCN1CCN(c2ccccc2Cl)CC1 ZINC000302831969 1134526580 /nfs/dbraw/zinc/52/65/80/1134526580.db2.gz DWDAUSBEFAVCKR-UHFFFAOYSA-N 0 1 266.816 3.508 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(C)c(OC(C)C)c1 ZINC001214331990 1134529923 /nfs/dbraw/zinc/52/99/23/1134529923.db2.gz BEHFSEQYRVKTGE-UHFFFAOYSA-N 0 1 259.353 3.568 20 0 CHADMN Oc1c(Cl)ccc(Nc2nsc3ncccc23)c1F ZINC001214796058 1134573298 /nfs/dbraw/zinc/57/32/98/1134573298.db2.gz FYDZYBMWVUMIAH-UHFFFAOYSA-N 0 1 295.726 3.933 20 0 CHADMN Nc1cc(Cl)cnc1Nc1ccc(Cl)c(O)c1F ZINC001214795912 1134573346 /nfs/dbraw/zinc/57/33/46/1134573346.db2.gz BJZPFOFOKNGYNE-UHFFFAOYSA-N 0 1 288.109 3.559 20 0 CHADMN CC(C)(C)n1cc(Nc2ccc(Cl)c(O)c2F)cn1 ZINC001214793986 1134573431 /nfs/dbraw/zinc/57/34/31/1134573431.db2.gz SDCZTNGSGVTWSN-UHFFFAOYSA-N 0 1 283.734 3.880 20 0 CHADMN Cc1cnc(Nc2ccc(Cl)c(O)c2F)c(C)c1 ZINC001214796199 1134573502 /nfs/dbraw/zinc/57/35/02/1134573502.db2.gz JBGYLDHXTSJQLZ-UHFFFAOYSA-N 0 1 266.703 3.940 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccc3c(c2)[C@@H](O)CC3)c1F ZINC001214808952 1134576675 /nfs/dbraw/zinc/57/66/75/1134576675.db2.gz AGROVLCUHZDKKG-ZDUSSCGKSA-N 0 1 293.725 3.908 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccc3ncncc3c2)c1F ZINC001214804529 1134576954 /nfs/dbraw/zinc/57/69/54/1134576954.db2.gz VNALXYBWSGCRMQ-UHFFFAOYSA-N 0 1 289.697 3.872 20 0 CHADMN Cc1ccc(CN2CCC3(CC3)C2)cc1Br ZINC000400028901 1134577416 /nfs/dbraw/zinc/57/74/16/1134577416.db2.gz FZAWMRDSAUYIHD-UHFFFAOYSA-N 0 1 280.209 3.743 20 0 CHADMN CC(C)COc1ccc(CN[C@@H](CO)c2ccccc2)cc1 ZINC000304214998 1134579417 /nfs/dbraw/zinc/57/94/17/1134579417.db2.gz GGDQIHAJXAYILD-IBGZPJMESA-N 0 1 299.414 3.545 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)N[C@@H]1CCCc2n[nH]cc21 ZINC000401626788 1134617529 /nfs/dbraw/zinc/61/75/29/1134617529.db2.gz AYWIFFQKQKVDHG-XJKSGUPXSA-N 0 1 299.418 3.925 20 0 CHADMN CSc1ccc(-n2c(N)nc3ccccc32)c(C)c1 ZINC001215474304 1134631028 /nfs/dbraw/zinc/63/10/28/1134631028.db2.gz XXDYQDFUSQHWJX-UHFFFAOYSA-N 0 1 269.373 3.638 20 0 CHADMN Fc1cc(Nc2c(Cl)cnnc2Cl)cc2[nH]ncc21 ZINC001215553839 1134639029 /nfs/dbraw/zinc/63/90/29/1134639029.db2.gz KNJMBUVQNKHHFZ-UHFFFAOYSA-N 0 1 298.108 3.542 20 0 CHADMN CNc1ccnc(Cl)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215553437 1134639061 /nfs/dbraw/zinc/63/90/61/1134639061.db2.gz WFROMZMDCJXPGL-UHFFFAOYSA-N 0 1 291.717 3.536 20 0 CHADMN Fc1cc(Nc2cccnc2C(F)(F)F)cc2[nH]ncc21 ZINC001215553751 1134639483 /nfs/dbraw/zinc/63/94/83/1134639483.db2.gz FPZBMKAUPHDICV-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Cc1cc(Nc2cc3[nH]ncc3c(F)c2)n(C(C)C)n1 ZINC001215552734 1134639926 /nfs/dbraw/zinc/63/99/26/1134639926.db2.gz BLQPSPIJTTURFU-UHFFFAOYSA-N 0 1 273.315 3.531 20 0 CHADMN CC(=O)c1cccc(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215555470 1134640394 /nfs/dbraw/zinc/64/03/94/1134640394.db2.gz XNGXVMAAFADZNP-UHFFFAOYSA-N 0 1 269.279 3.648 20 0 CHADMN Fc1cc(Nc2cccc(-n3ccnc3)c2)cc2[nH]ncc21 ZINC001215555002 1134640922 /nfs/dbraw/zinc/64/09/22/1134640922.db2.gz PCWRENOWHMKQBK-UHFFFAOYSA-N 0 1 293.305 3.631 20 0 CHADMN Fc1cc(Nc2cccc3ocnc32)cc2[nH]ncc21 ZINC001215555355 1134641017 /nfs/dbraw/zinc/64/10/17/1134641017.db2.gz IIJJSRFOTKVLFS-UHFFFAOYSA-N 0 1 268.251 3.587 20 0 CHADMN COc1cc(Cl)nc(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215555137 1134641054 /nfs/dbraw/zinc/64/10/54/1134641054.db2.gz JYAHPVFAJQSXEQ-UHFFFAOYSA-N 0 1 292.701 3.503 20 0 CHADMN Cc1cc(Nc2cc3[nH]ncc3c(F)c2)cc2snnc21 ZINC001215558804 1134641938 /nfs/dbraw/zinc/64/19/38/1134641938.db2.gz XZATZUFBGWRCMZ-UHFFFAOYSA-N 0 1 299.334 3.759 20 0 CHADMN COc1c(F)c(F)ccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215558195 1134642019 /nfs/dbraw/zinc/64/20/19/1134642019.db2.gz LCYSLANYKQIYQJ-UHFFFAOYSA-N 0 1 293.248 3.732 20 0 CHADMN CCOc1ccc(Nc2cc3[nH]ncc3c(F)c2)cc1 ZINC001215556567 1134642025 /nfs/dbraw/zinc/64/20/25/1134642025.db2.gz HUBTZZJUCAULPT-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN Oc1cccc(Cl)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215556274 1134642044 /nfs/dbraw/zinc/64/20/44/1134642044.db2.gz YPSXEFXJNONBSF-UHFFFAOYSA-N 0 1 277.686 3.805 20 0 CHADMN CCOc1cccc(F)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215557861 1134642198 /nfs/dbraw/zinc/64/21/98/1134642198.db2.gz CDNHSAWAUFSHPD-UHFFFAOYSA-N 0 1 289.285 3.983 20 0 CHADMN COc1cccc(C(C)=O)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215557092 1134642236 /nfs/dbraw/zinc/64/22/36/1134642236.db2.gz OVILSCLTWIBIEC-UHFFFAOYSA-N 0 1 299.305 3.657 20 0 CHADMN COc1ccc(F)c(F)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215557125 1134642376 /nfs/dbraw/zinc/64/23/76/1134642376.db2.gz RCDWUZUPGDXPPX-UHFFFAOYSA-N 0 1 293.248 3.732 20 0 CHADMN COc1ccc(C(C)=O)c(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215556555 1134642638 /nfs/dbraw/zinc/64/26/38/1134642638.db2.gz HEQAZBWNPFZDBA-UHFFFAOYSA-N 0 1 299.305 3.657 20 0 CHADMN Cc1nn(C)c2ccc(Nc3cc4[nH]ncc4c(F)c3)cc12 ZINC001215556995 1134642793 /nfs/dbraw/zinc/64/27/93/1134642793.db2.gz NTHQNJLGONQIAD-UHFFFAOYSA-N 0 1 295.321 3.641 20 0 CHADMN O=c1ccc2cccc(Nc3cc4[nH]ncc4c(F)c3)c2[nH]1 ZINC001215559728 1134643522 /nfs/dbraw/zinc/64/35/22/1134643522.db2.gz WTUDUDVAKJEVCS-UHFFFAOYSA-N 0 1 294.289 3.699 20 0 CHADMN Cc1conc1Nc1cccc(CN2CCCCC2)c1F ZINC001215675583 1134658766 /nfs/dbraw/zinc/65/87/66/1134658766.db2.gz CATYFTUAQCWVNQ-UHFFFAOYSA-N 0 1 289.354 3.852 20 0 CHADMN Cc1ccc(Nc2nc3c(s2)C(=O)CCC3)c2cn[nH]c21 ZINC001215754195 1134673604 /nfs/dbraw/zinc/67/36/04/1134673604.db2.gz NWIPNSXYXDAUOJ-UHFFFAOYSA-N 0 1 298.371 3.590 20 0 CHADMN Cc1ccc(Nc2cc(F)cnc2Cl)c2cn[nH]c21 ZINC001215755841 1134675180 /nfs/dbraw/zinc/67/51/80/1134675180.db2.gz DOVFFBJVGMHKRF-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1ccc(Nc2cccnc2OC(F)F)c2cn[nH]c21 ZINC001215755856 1134675233 /nfs/dbraw/zinc/67/52/33/1134675233.db2.gz FBZXEORJSOJKDK-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1ccc(Nc2ccc3nn(C)cc3c2)c2cn[nH]c21 ZINC001215757059 1134675305 /nfs/dbraw/zinc/67/53/05/1134675305.db2.gz KCCMLGHMFZXEIG-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1ccc(Nc2ccc(OC(C)C)nc2)c2cn[nH]c21 ZINC001215756293 1134675408 /nfs/dbraw/zinc/67/54/08/1134675408.db2.gz PFDJCEQDSPMZPX-UHFFFAOYSA-N 0 1 282.347 3.797 20 0 CHADMN COc1ccc(OC)c(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215757695 1134675798 /nfs/dbraw/zinc/67/57/98/1134675798.db2.gz WXYCBIAPBVRXOW-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN COCc1ccc(Nc2ccc(C)c3[nH]ncc32)cc1F ZINC001215759841 1134676975 /nfs/dbraw/zinc/67/69/75/1134676975.db2.gz YKCMXUBADJYNTO-UHFFFAOYSA-N 0 1 285.322 3.900 20 0 CHADMN COc1ccc(F)c(F)c1Nc1ccc(C)c2[nH]ncc21 ZINC001215759780 1134677126 /nfs/dbraw/zinc/67/71/26/1134677126.db2.gz VOPODJDZUQULRH-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1ccc(Nc2ccc(C)c(O)c2)c2cn[nH]c21 ZINC001215758708 1134677150 /nfs/dbraw/zinc/67/71/50/1134677150.db2.gz VRSCENKIOGWFEV-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COc1ccc(Nc2ccc(C)c3[nH]ncc32)c(OC)c1 ZINC001215759467 1134677355 /nfs/dbraw/zinc/67/73/55/1134677355.db2.gz LSOOIXRFXHLIMB-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN Cc1ccc(Nc2ccc3ncncc3c2)c2cn[nH]c21 ZINC001215759710 1134677468 /nfs/dbraw/zinc/67/74/68/1134677468.db2.gz RENGSUBQACXQSI-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1ccc(Nc2cc(F)cc(C)c2O)c2cn[nH]c21 ZINC001215759135 1134677476 /nfs/dbraw/zinc/67/74/76/1134677476.db2.gz GJDCFRPAKUABLH-UHFFFAOYSA-N 0 1 271.295 3.768 20 0 CHADMN Cc1ccc(Nc2cccc3snnc32)c2cn[nH]c21 ZINC001215760587 1134678943 /nfs/dbraw/zinc/67/89/43/1134678943.db2.gz RBBQKUIGHRKMHA-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1nonc1Nc1cc(Cl)cc(C(F)(F)F)c1F ZINC001215814159 1134694307 /nfs/dbraw/zinc/69/43/07/1134694307.db2.gz OXSYAMOLSWDOFP-UHFFFAOYSA-N 0 1 295.623 3.933 20 0 CHADMN Clc1cc2[nH]ncc2c(Nc2ccc3cncnc3c2)c1 ZINC001215860966 1134705529 /nfs/dbraw/zinc/70/55/29/1134705529.db2.gz PFTOSCGYNMTSNR-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Cc1cc(Nc2cc(Cl)cc3[nH]ncc32)ccc1CO ZINC001215861811 1134705966 /nfs/dbraw/zinc/70/59/66/1134705966.db2.gz LKJCLTBOAXXDLG-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1cc(C)cc(-c2noc(-c3cccc(F)c3O)n2)c1 ZINC001215863402 1134707189 /nfs/dbraw/zinc/70/71/89/1134707189.db2.gz ZUXWZBYHIQUCHM-UHFFFAOYSA-N 0 1 284.290 3.865 20 0 CHADMN CCc1cc(Nc2cnc3cccc(C)n23)ccc1N ZINC001216037562 1134756169 /nfs/dbraw/zinc/75/61/69/1134756169.db2.gz LRPJUFCXPFSPDA-UHFFFAOYSA-N 0 1 266.348 3.531 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc(C(F)F)cn2)c1F ZINC001216228497 1134812746 /nfs/dbraw/zinc/81/27/46/1134812746.db2.gz JNNXAJMNGARBQT-UHFFFAOYSA-N 0 1 295.308 3.964 20 0 CHADMN Cc1ccc(Nc2cccc(CN(C)C)c2F)c(Cl)n1 ZINC001216227545 1134813203 /nfs/dbraw/zinc/81/32/03/1134813203.db2.gz CKHMBGHOOKNKEG-UHFFFAOYSA-N 0 1 293.773 3.988 20 0 CHADMN CN(C)Cc1cccc(Nc2cn(C3CCC3)cn2)c1F ZINC001216228615 1134813846 /nfs/dbraw/zinc/81/38/46/1134813846.db2.gz NBAHYRPJTHUOEA-UHFFFAOYSA-N 0 1 288.370 3.552 20 0 CHADMN COc1ccccc1Nc1cccc(CN(C)C)c1F ZINC001216228815 1134814001 /nfs/dbraw/zinc/81/40/01/1134814001.db2.gz RGQSVUYRDZQZRE-UHFFFAOYSA-N 0 1 274.339 3.640 20 0 CHADMN CN(C)Cc1cccc(Nc2cnc3c(ccn3C)c2)c1F ZINC001216227415 1134814031 /nfs/dbraw/zinc/81/40/31/1134814031.db2.gz GFNGMNMSCWDZJT-UHFFFAOYSA-N 0 1 298.365 3.518 20 0 CHADMN C[C@H](O)c1cccc(Nc2cccc(CN(C)C)c2F)c1 ZINC001216231087 1134814539 /nfs/dbraw/zinc/81/45/39/1134814539.db2.gz RFAJVBCVORMCBG-LBPRGKRZSA-N 0 1 288.366 3.684 20 0 CHADMN CN(C)Cc1cccc(Nc2cc(F)cc(F)c2)c1F ZINC001216231261 1134815177 /nfs/dbraw/zinc/81/51/77/1134815177.db2.gz VJHNRYYIMADFRM-UHFFFAOYSA-N 0 1 280.293 3.909 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc3c(c2)CCN3C)c1F ZINC001216232097 1134815764 /nfs/dbraw/zinc/81/57/64/1134815764.db2.gz NQPJXCAWZPJKCZ-UHFFFAOYSA-N 0 1 299.393 3.623 20 0 CHADMN CN(C)Cc1cccc(Nc2cccc3c2OCC3)c1F ZINC001216231344 1134815819 /nfs/dbraw/zinc/81/58/19/1134815819.db2.gz GXCWCJIILSNSEC-UHFFFAOYSA-N 0 1 286.350 3.566 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc3c(c2)N(C)CC3)c1F ZINC001216232037 1134816092 /nfs/dbraw/zinc/81/60/92/1134816092.db2.gz KSYDKKSTUGFBAQ-UHFFFAOYSA-N 0 1 299.393 3.623 20 0 CHADMN Cc1cc(Nc2[nH+]c3ccccc3n2C)cc(C)c1C(=O)[O-] ZINC001216307519 1134844716 /nfs/dbraw/zinc/84/47/16/1134844716.db2.gz DZMITHBQFSYOKE-UHFFFAOYSA-N 0 1 295.342 3.632 20 0 CHADMN Cc1cc(F)cc(Cl)c1-n1c(N)nc2ccccc21 ZINC001216401531 1134883561 /nfs/dbraw/zinc/88/35/61/1134883561.db2.gz LHZNNUPORVVOAH-UHFFFAOYSA-N 0 1 275.714 3.709 20 0 CHADMN COc1cnc(F)c(Nc2nc3cc(Cl)ccc3o2)c1 ZINC001216404726 1134885556 /nfs/dbraw/zinc/88/55/56/1134885556.db2.gz RGSBBNJPLQMWTD-UHFFFAOYSA-N 0 1 293.685 3.768 20 0 CHADMN Cc1cc(Cl)ccc1Nc1cc(=O)[nH]c(Cl)n1 ZINC001216432274 1134895006 /nfs/dbraw/zinc/89/50/06/1134895006.db2.gz BLYPXVCLUGZHSF-UHFFFAOYSA-N 0 1 270.119 3.541 20 0 CHADMN Cc1ccnc(C)c1Nc1cncn1Cc1ccccc1 ZINC001216549435 1134917868 /nfs/dbraw/zinc/91/78/68/1134917868.db2.gz HHZCWKKGYNNWGA-UHFFFAOYSA-N 0 1 278.359 3.687 20 0 CHADMN Fc1ccc(Nc2cncn2Cc2ccccc2)cc1F ZINC001216552146 1134917960 /nfs/dbraw/zinc/91/79/60/1134917960.db2.gz JUKXSMFWWWBJES-UHFFFAOYSA-N 0 1 285.297 3.953 20 0 CHADMN Cc1ccnc(F)c1Nc1cncn1Cc1ccccc1 ZINC001216549258 1134919212 /nfs/dbraw/zinc/91/92/12/1134919212.db2.gz CALKMKHFBIAGFU-UHFFFAOYSA-N 0 1 282.322 3.518 20 0 CHADMN Cc1cccc(N)c1Nc1cncn1Cc1ccccc1 ZINC001216553012 1134919406 /nfs/dbraw/zinc/91/94/06/1134919406.db2.gz BHNFANHSPSQFII-UHFFFAOYSA-N 0 1 278.359 3.566 20 0 CHADMN Cc1c(F)ccc(N)c1Nc1cncn1Cc1ccccc1 ZINC001216554153 1134919426 /nfs/dbraw/zinc/91/94/26/1134919426.db2.gz AKTGVTXUEKQGNF-UHFFFAOYSA-N 0 1 296.349 3.705 20 0 CHADMN Nc1cncn1-c1cccc(OCc2cccc(Cl)c2)c1 ZINC001216572386 1134921229 /nfs/dbraw/zinc/92/12/29/1134921229.db2.gz NDPIIBYKDWNBJD-UHFFFAOYSA-N 0 1 299.761 3.687 20 0 CHADMN CC(C)(C)C[C@H]1CC[N@H+](Cc2ccc([O-])c(F)c2)C1 ZINC000307780115 1134948172 /nfs/dbraw/zinc/94/81/72/1134948172.db2.gz UEIMXDDUMZCFRJ-CYBMUJFWSA-N 0 1 265.372 3.789 20 0 CHADMN CC(C)(C)C[C@H]1CC[N@@H+](Cc2ccc([O-])c(F)c2)C1 ZINC000307780115 1134948178 /nfs/dbraw/zinc/94/81/78/1134948178.db2.gz UEIMXDDUMZCFRJ-CYBMUJFWSA-N 0 1 265.372 3.789 20 0 CHADMN Oc1cc(-c2nc(-c3ccc(F)cc3)no2)cc(F)c1F ZINC001216974078 1134957119 /nfs/dbraw/zinc/95/71/19/1134957119.db2.gz YDAURRQQTDHMTA-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN Cc1ccc(F)cc1-c1noc(-c2ccc3[nH]cnc3c2)n1 ZINC001217131671 1134964234 /nfs/dbraw/zinc/96/42/34/1134964234.db2.gz SFGRWTGYENEYTE-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Fc1cccc(-c2noc(-c3ccc4[nH]cnc4c3)n2)c1F ZINC001217130988 1134964503 /nfs/dbraw/zinc/96/45/03/1134964503.db2.gz GXPISKFOQLPQSA-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN Cc1ccc2nc(-c3nc(-c4cccc(F)c4)no3)[nH]c2c1 ZINC001217257223 1134968437 /nfs/dbraw/zinc/96/84/37/1134968437.db2.gz MHCFYHUEXLGWQD-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1ccc2nc(-c3nc(-c4cccc(C)c4)no3)[nH]c2c1 ZINC001217257443 1134969133 /nfs/dbraw/zinc/96/91/33/1134969133.db2.gz SQTWSAFZHSBKSR-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Cc1ccc(F)cc1-c1noc(-c2cnc3ccc[nH]c2-3)n1 ZINC001217398946 1134975091 /nfs/dbraw/zinc/97/50/91/1134975091.db2.gz NDJNXUCARLSUIL-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1ccc(-c2noc(-c3cnc4ccc[nH]c3-4)n2)cc1C ZINC001217399895 1134976320 /nfs/dbraw/zinc/97/63/20/1134976320.db2.gz YYIGJTCREDGQGN-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN CCc1ccc(-c2nnc(C3(N)CCCCCC3)o2)cc1 ZINC001217697045 1134987148 /nfs/dbraw/zinc/98/71/48/1134987148.db2.gz VPOMHDMRMOEVBK-UHFFFAOYSA-N 0 1 285.391 3.807 20 0 CHADMN CN[C@H](C)c1nnc(-c2ccc(-c3ccccc3)cc2)o1 ZINC001217697224 1134987262 /nfs/dbraw/zinc/98/72/62/1134987262.db2.gz YXCALMYULIKFOV-GFCCVEGCSA-N 0 1 279.343 3.684 20 0 CHADMN C[C@@H]1CCCN[C@@H]1c1nnc(-c2ccc3ccccc3c2)o1 ZINC001217702079 1134988041 /nfs/dbraw/zinc/98/80/41/1134988041.db2.gz HRQTYKVEOGWHSX-WBMJQRKESA-N 0 1 293.370 3.950 20 0 CHADMN CC[C@H](C)[C@H](NC)c1nnc([C@@H]2C[C@H]2c2ccccc2)o1 ZINC001217722759 1134991277 /nfs/dbraw/zinc/99/12/77/1134991277.db2.gz FDFNGEQNCSWRJV-MHEUCROKSA-N 0 1 285.391 3.647 20 0 CHADMN CC[C@H](C)[C@H](NC)c1nnc([C@H]2C[C@@H]2c2ccc(C)cc2)o1 ZINC001217723005 1134992300 /nfs/dbraw/zinc/99/23/00/1134992300.db2.gz KPLQBCWNCNLORZ-UKMLZYKCSA-N 0 1 299.418 3.956 20 0 CHADMN CN[C@H](c1nnc([C@@H]2C[C@H]2c2ccc(C)cc2)o1)C(C)C ZINC001217726874 1134992568 /nfs/dbraw/zinc/99/25/68/1134992568.db2.gz KAWFBMMNHBUXJK-ZNMIVQPWSA-N 0 1 285.391 3.566 20 0 CHADMN CCCCC[C@H](NC)c1nnc(-c2cccc(F)c2)o1 ZINC001217755967 1134995021 /nfs/dbraw/zinc/99/50/21/1134995021.db2.gz IJNWOLUJLJSKLD-ZDUSSCGKSA-N 0 1 277.343 3.717 20 0 CHADMN Cc1ccc([O-])c(C[NH2+][C@H]2CCCC23CCCCC3)n1 ZINC000312971380 1135135800 /nfs/dbraw/zinc/13/58/00/1135135800.db2.gz HIKHVQQDFGYZBJ-INIZCTEOSA-N 0 1 274.408 3.688 20 0 CHADMN CC[C@H](C)C[C@@H](C)NC(=O)[C@@H](N)c1ccc2ccccc2c1 ZINC001220240221 1135148533 /nfs/dbraw/zinc/14/85/33/1135148533.db2.gz HCLZDBMNDNXVEF-IYOUNJFTSA-N 0 1 298.430 3.781 20 0 CHADMN COc1c(C)cnc(CN[C@@H]2CCCc3ccccc32)c1C ZINC000315385990 1135153229 /nfs/dbraw/zinc/15/32/29/1135153229.db2.gz DSHNTEYZJPZJPA-QGZVFWFLSA-N 0 1 296.414 3.874 20 0 CHADMN Cc1ccc(OC(C)C)cc1-c1cc(N(C)C)ccn1 ZINC001222132948 1135197790 /nfs/dbraw/zinc/19/77/90/1135197790.db2.gz SHWIAMSRIDPASK-UHFFFAOYSA-N 0 1 270.376 3.910 20 0 CHADMN CCCOc1ccc(C)c(-c2ccc(CN(C)C)cn2)c1 ZINC001222164904 1135204183 /nfs/dbraw/zinc/20/41/83/1135204183.db2.gz DLLVQMMNIWGBFK-UHFFFAOYSA-N 0 1 284.403 3.907 20 0 CHADMN Cc1cc(-c2cc3nc[nH]c3cn2)c(F)cc1Cl ZINC001222215253 1135208274 /nfs/dbraw/zinc/20/82/74/1135208274.db2.gz LQIOVKPVNWYTKO-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN COc1c(F)c(C)ccc1-c1ccc2nc[nH]c2c1C ZINC001222304567 1135221393 /nfs/dbraw/zinc/22/13/93/1135221393.db2.gz DHFYESMXFHWVIX-UHFFFAOYSA-N 0 1 270.307 3.994 20 0 CHADMN Cc1nc(-c2cn(C)nc2-c2ccccc2)cc2[nH]ccc21 ZINC001222517357 1135248377 /nfs/dbraw/zinc/24/83/77/1135248377.db2.gz UKOBCMOKMDMNJH-UHFFFAOYSA-N 0 1 288.354 3.939 20 0 CHADMN Fc1ccccc1CN1CCC[C@H](OCC2CCCC2)C1 ZINC001222709226 1135266347 /nfs/dbraw/zinc/26/63/47/1135266347.db2.gz WDTLNJKRIVHFJA-KRWDZBQOSA-N 0 1 291.410 3.997 20 0 CHADMN Cc1cc(COC2CN(C(C)(C)C)C2)c2ccccc2n1 ZINC001223872226 1135392289 /nfs/dbraw/zinc/39/22/89/1135392289.db2.gz ZJHMMZKFKGTEBC-UHFFFAOYSA-N 0 1 284.403 3.543 20 0 CHADMN CCCC[C@@H](CC)COC1CCN(CCF)CC1 ZINC001224709023 1135473129 /nfs/dbraw/zinc/47/31/29/1135473129.db2.gz KQOBVWFDYISACA-CQSZACIVSA-N 0 1 259.409 3.653 20 0 CHADMN CC(C)=CCCO[C@H]1CCN2Cc3ccccc3N=C12 ZINC001224716177 1135474396 /nfs/dbraw/zinc/47/43/96/1135474396.db2.gz GSKYVBHZPLICNX-INIZCTEOSA-N 0 1 270.376 3.677 20 0 CHADMN C[C@H](Oc1[nH]c(=O)ncc1F)c1ccc2ccccc2c1 ZINC001225882193 1135633863 /nfs/dbraw/zinc/63/38/63/1135633863.db2.gz QAILGDXCBFLDMM-JTQLQIEISA-N 0 1 284.290 3.615 20 0 CHADMN CC[N@H+]1CCC[C@H](Oc2cccc(C(F)(F)F)c2F)C1 ZINC001225923919 1135639524 /nfs/dbraw/zinc/63/95/24/1135639524.db2.gz JNFCVPRJDCBCIW-JTQLQIEISA-N 0 1 291.288 3.708 20 0 CHADMN Cc1ccc([C@H](C)Oc2cccc3[nH]nnc32)c(C)c1 ZINC001225990734 1135648405 /nfs/dbraw/zinc/64/84/05/1135648405.db2.gz IKIBAIMXWPSNQO-LBPRGKRZSA-N 0 1 267.332 3.715 20 0 CHADMN Clc1ccccc1C1CC(Oc2cccc3[nH]nnc32)C1 ZINC001225990529 1135648685 /nfs/dbraw/zinc/64/86/85/1135648685.db2.gz BOPRFVPBPZUYNB-UHFFFAOYSA-N 0 1 299.761 3.936 20 0 CHADMN [S-]c1cccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001226015251 1135653177 /nfs/dbraw/zinc/65/31/77/1135653177.db2.gz IFHIHHPONRNMLW-MRXNPFEDSA-N 0 1 285.412 3.629 20 0 CHADMN Cc1cc(=O)[nH]c(O[C@H](C)c2cc3ccccc3s2)n1 ZINC001226156760 1135669316 /nfs/dbraw/zinc/66/93/16/1135669316.db2.gz QJNRVHIRQTVBHR-SNVBAGLBSA-N 0 1 286.356 3.845 20 0 CHADMN FC(F)(F)[C@@H](Oc1n[nH]c2ncccc12)c1ccccc1 ZINC001226299918 1135682084 /nfs/dbraw/zinc/68/20/84/1135682084.db2.gz INVDNFBZFPOROM-NSHDSACASA-N 0 1 293.248 3.640 20 0 CHADMN Cc1ccc([C@@H](C)Oc2n[nH]c3ncccc23)c(C)c1 ZINC001226301474 1135682150 /nfs/dbraw/zinc/68/21/50/1135682150.db2.gz AUGPETGXDBBQCC-GFCCVEGCSA-N 0 1 267.332 3.715 20 0 CHADMN Cc1ccc(COc2n[nH]c3ncccc23)c(OC(C)C)c1 ZINC001226305796 1135682917 /nfs/dbraw/zinc/68/29/17/1135682917.db2.gz MSXCYISRVSOJNI-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN C[C@@H](COc1ccccc1)Oc1cc(N)nc2ccccc21 ZINC001226420250 1135694827 /nfs/dbraw/zinc/69/48/27/1135694827.db2.gz ZARPFCGTPMIEHF-ZDUSSCGKSA-N 0 1 294.354 3.663 20 0 CHADMN CCCC(=O)[C@@H](CCC)Oc1nc2ccc(C)cc2[nH]1 ZINC001226505041 1135704939 /nfs/dbraw/zinc/70/49/39/1135704939.db2.gz CZPJVINPBOLBRL-OAHLLOKOSA-N 0 1 274.364 3.788 20 0 CHADMN Cc1ccc2nc(O[C@@H]3CCc4c3nccc4Cl)[nH]c2c1 ZINC001226506914 1135705068 /nfs/dbraw/zinc/70/50/68/1135705068.db2.gz TUKOIUYBCBTETQ-CQSZACIVSA-N 0 1 299.761 3.986 20 0 CHADMN CC1(C)CC(Oc2nc3ccc(F)cc3[nH]2)CC(C)(C)O1 ZINC001226704168 1135731992 /nfs/dbraw/zinc/73/19/92/1135731992.db2.gz HJZLPBMDDJQQGZ-UHFFFAOYSA-N 0 1 292.354 3.817 20 0 CHADMN Cc1ccc2c(c1)[C@H](Oc1ccc3nc[nH]c3c1)CC2 ZINC001226923622 1135761463 /nfs/dbraw/zinc/76/14/63/1135761463.db2.gz FXKKFAKZDVURCS-QGZVFWFLSA-N 0 1 264.328 3.938 20 0 CHADMN Cc1cccc2c1[C@H](Oc1ccc3nc[nH]c3c1)CC2 ZINC001226925524 1135762008 /nfs/dbraw/zinc/76/20/08/1135762008.db2.gz VGBSRZFUSPQBQZ-MRXNPFEDSA-N 0 1 264.328 3.938 20 0 CHADMN Cc1cccc(OC[C@H](C)Oc2ccc3nc[nH]c3c2)c1 ZINC001226930132 1135762937 /nfs/dbraw/zinc/76/29/37/1135762937.db2.gz QEFRYHIGNWXPLE-ZDUSSCGKSA-N 0 1 282.343 3.718 20 0 CHADMN Cc1cnc(F)c([C@@H](C)Oc2ccc3nc[nH]c3c2)c1 ZINC001226929253 1135762978 /nfs/dbraw/zinc/76/29/78/1135762978.db2.gz DEMSGOJGQFZYAG-SNVBAGLBSA-N 0 1 271.295 3.545 20 0 CHADMN CCN1CCC[C@H](Oc2cccc(C)c2Br)C1 ZINC001227131035 1135789426 /nfs/dbraw/zinc/78/94/26/1135789426.db2.gz VVOFNVFFEAZQNO-LBPRGKRZSA-N 0 1 298.224 3.621 20 0 CHADMN CC(C)N1CCC[C@H](Oc2ncc(Cl)cc2Cl)C1 ZINC001227180850 1135795412 /nfs/dbraw/zinc/79/54/12/1135795412.db2.gz CWEQPIQRJAERTC-NSHDSACASA-N 0 1 289.206 3.640 20 0 CHADMN CC1(C)CC(=O)CC[C@@H]1Oc1nc2ccc(Cl)cc2[nH]1 ZINC001227262777 1135811842 /nfs/dbraw/zinc/81/18/42/1135811842.db2.gz WSMBSPUVLFUOIH-ZDUSSCGKSA-N 0 1 292.766 3.743 20 0 CHADMN C[C@@H](Oc1nc2ccc(Cl)cc2[nH]1)c1cccnc1 ZINC001227262231 1135811970 /nfs/dbraw/zinc/81/19/70/1135811970.db2.gz KDYPLDIJKOJJIB-SECBINFHSA-N 0 1 273.723 3.751 20 0 CHADMN Cc1cccc2nc(OCc3ccc(OC(C)C)nc3)[nH]c21 ZINC001227267358 1135812229 /nfs/dbraw/zinc/81/22/29/1135812229.db2.gz BZOQXJKUCOXILM-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN FC1(F)C[C@@H](Oc2nc3ccc(Cl)cc3[nH]2)C1(F)F ZINC001227265256 1135813108 /nfs/dbraw/zinc/81/31/08/1135813108.db2.gz AASRMPORMFOEDR-MRVPVSSYSA-N 0 1 294.635 3.638 20 0 CHADMN FC1(F)CC[C@H](Oc2nc3ccc(Cl)cc3[nH]2)C1 ZINC001227266963 1135813214 /nfs/dbraw/zinc/81/32/14/1135813214.db2.gz VWQUAGBRSBXMGH-QMMMGPOBSA-N 0 1 272.682 3.783 20 0 CHADMN Cc1cccc2nc(O[C@H](C)c3cnc4ccccn43)[nH]c21 ZINC001227272094 1135814406 /nfs/dbraw/zinc/81/44/06/1135814406.db2.gz QVGNVQULJMYGMB-GFCCVEGCSA-N 0 1 292.342 3.659 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1Cc1csc(COC)n1 ZINC000353806007 529426125 /nfs/dbraw/zinc/42/61/25/529426125.db2.gz PDDPZXHMZBETMV-TZMCWYRMSA-N 0 1 282.453 3.690 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1Cc1ccc(COC)o1 ZINC000344879796 529462942 /nfs/dbraw/zinc/46/29/42/529462942.db2.gz GPCMZWMIRMKWJB-MRXNPFEDSA-N 0 1 285.387 3.763 20 0 CHADMN CC[C@H](NCc1cccc(N(C)C)c1)c1ccc(F)cn1 ZINC000352726036 529630979 /nfs/dbraw/zinc/63/09/79/529630979.db2.gz SAESSMVOILOPRR-INIZCTEOSA-N 0 1 287.382 3.528 20 0 CHADMN CC[C@H](N[C@@H](CCOC)c1ccccc1)c1nccs1 ZINC000347911087 529654505 /nfs/dbraw/zinc/65/45/05/529654505.db2.gz KNTAHHDXTNSBIV-GJZGRUSLSA-N 0 1 290.432 3.962 20 0 CHADMN CCc1ccc(CN[C@@H]2CSc3ccccc32)cn1 ZINC000352754500 529655991 /nfs/dbraw/zinc/65/59/91/529655991.db2.gz JEKRTVQXUBQKRT-OAHLLOKOSA-N 0 1 270.401 3.581 20 0 CHADMN CCc1ccc(CN[C@H](C)c2cc(C)oc2C)cn1 ZINC000352779933 529656549 /nfs/dbraw/zinc/65/65/49/529656549.db2.gz MRYUINDZOMWTIF-GFCCVEGCSA-N 0 1 258.365 3.705 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccc(OC)c(F)c2)cn1 ZINC000352251142 529656711 /nfs/dbraw/zinc/65/67/11/529656711.db2.gz OLJQTUPAGBMGGX-GFCCVEGCSA-N 0 1 288.366 3.643 20 0 CHADMN CCc1ccc(CN(C)C[C@@H]2OCCc3ccccc32)o1 ZINC000352671210 529635065 /nfs/dbraw/zinc/63/50/65/529635065.db2.gz HXFYCHXWFQYEDI-SFHVURJKSA-N 0 1 285.387 3.588 20 0 CHADMN CC[C@H](NCc1cncn1CC)c1ccc(Cl)s1 ZINC000417934931 529636109 /nfs/dbraw/zinc/63/61/09/529636109.db2.gz QFLXFWCBBYCZRD-NSHDSACASA-N 0 1 283.828 3.859 20 0 CHADMN CCc1ccc(CN[C@H]2CSc3ccccc32)cn1 ZINC000352754499 529658300 /nfs/dbraw/zinc/65/83/00/529658300.db2.gz JEKRTVQXUBQKRT-HNNXBMFYSA-N 0 1 270.401 3.581 20 0 CHADMN CN(CCC(F)(F)F)Cc1ccc2ncccc2c1 ZINC000352713696 529874596 /nfs/dbraw/zinc/87/45/96/529874596.db2.gz UGHRGKWRJHQSQO-UHFFFAOYSA-N 0 1 268.282 3.619 20 0 CHADMN CN1CCC[C@@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000114073411 530056625 /nfs/dbraw/zinc/05/66/25/530056625.db2.gz ANNIQQXDVQSIAS-OAHLLOKOSA-N 0 1 294.354 3.619 20 0 CHADMN Cc1cccc(CNCc2ccc3c(n2)CCCC3)c1C ZINC000444011587 370690911 /nfs/dbraw/zinc/69/09/11/370690911.db2.gz BDVHFGSOOIWDFM-UHFFFAOYSA-N 0 1 280.415 3.867 20 0 CHADMN C[C@@H](Cc1ccoc1)NCc1nnc(-c2ccccc2)s1 ZINC000449192250 541315675 /nfs/dbraw/zinc/31/56/75/541315675.db2.gz TZXNOESEIMOWKL-LBPRGKRZSA-N 0 1 299.399 3.519 20 0 CHADMN CCC[C@@]1(CO)CC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000574240639 335003399 /nfs/dbraw/zinc/00/33/99/335003399.db2.gz LNJZLSDZBILJIA-QGZVFWFLSA-N 0 1 291.366 3.556 20 0 CHADMN CCO[C@@H]1C[C@@H]1N[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000574266870 335004985 /nfs/dbraw/zinc/00/49/85/335004985.db2.gz VLZJJLNNDYTGJD-IPMKNSEASA-N 0 1 297.398 3.552 20 0 CHADMN CC(C)c1nc(CN[C@H](C)c2ccc(Cl)c(F)c2)n[nH]1 ZINC000574272565 335005637 /nfs/dbraw/zinc/00/56/37/335005637.db2.gz PZAKGEDHTGEGDG-SECBINFHSA-N 0 1 296.777 3.571 20 0 CHADMN CC1(C)CCN1CCCc1c(F)cccc1Cl ZINC000574479669 335023020 /nfs/dbraw/zinc/02/30/20/335023020.db2.gz XDTBZJAGERPBJF-UHFFFAOYSA-N 0 1 255.764 3.896 20 0 CHADMN Cc1nc(C)c(CN(Cc2cccs2)C2CC2)s1 ZINC000172746596 261510305 /nfs/dbraw/zinc/51/03/05/261510305.db2.gz SEZTWJGSASJGFB-UHFFFAOYSA-N 0 1 278.446 3.986 20 0 CHADMN C[C@H]1CN(Cc2cnc(-c3ccco3)s2)C[C@H](C)S1 ZINC000574622496 335033519 /nfs/dbraw/zinc/03/35/19/335033519.db2.gz PPDQMRIXOWYNPO-QWRGUYRKSA-N 0 1 294.445 3.729 20 0 CHADMN Cc1ncsc1CN(C)Cc1ccc(F)cc1C ZINC000179427881 261786563 /nfs/dbraw/zinc/78/65/63/261786563.db2.gz FPUWUTWEMLYMJU-UHFFFAOYSA-N 0 1 264.369 3.531 20 0 CHADMN CSc1ccc(CN[C@@H](C)c2n[nH]c(C(C)C)n2)s1 ZINC000352831463 532959781 /nfs/dbraw/zinc/95/97/81/532959781.db2.gz CWZAXGMNVXQISV-VIFPVBQESA-N 0 1 296.465 3.562 20 0 CHADMN COc1cc([C@@H](C)NCc2ccccc2SC)ccn1 ZINC000347685923 533118719 /nfs/dbraw/zinc/11/87/19/533118719.db2.gz RWVULTWVNWYHQT-GFCCVEGCSA-N 0 1 288.416 3.663 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1ccc(F)c(Cl)c1 ZINC000346972437 533139591 /nfs/dbraw/zinc/13/95/91/533139591.db2.gz HICPQKCMDOJKPG-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCC2(CCC2)C1 ZINC000344229392 533334730 /nfs/dbraw/zinc/33/47/30/533334730.db2.gz GXUMBECDRQCHCY-LBPRGKRZSA-N 0 1 292.810 3.543 20 0 CHADMN CO[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000352091607 533415939 /nfs/dbraw/zinc/41/59/39/533415939.db2.gz GFKXVNRYPRTZSE-IINYFYTJSA-N 0 1 288.218 3.993 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2ccc(F)cc21)c1cccnc1 ZINC000335946935 533521880 /nfs/dbraw/zinc/52/18/80/533521880.db2.gz OSAIKASZOXVGAP-MLGOLLRUSA-N 0 1 286.350 3.785 20 0 CHADMN C[C@@H](N[C@H]1CCCN(C)c2ccccc21)c1cncc(F)c1 ZINC000334684118 533540916 /nfs/dbraw/zinc/54/09/16/533540916.db2.gz DGGAMZLYRVMAHM-DYVFJYSZSA-N 0 1 299.393 3.843 20 0 CHADMN COc1cc(C)ccc1CNCc1ccc2ccccc2n1 ZINC000344974772 533670733 /nfs/dbraw/zinc/67/07/33/533670733.db2.gz CQODQYPNRWOEIU-UHFFFAOYSA-N 0 1 292.382 3.842 20 0 CHADMN Cc1cc(NC(=O)c2ccc3cncn3c2)cc(C)c1Cl ZINC000341769475 130008693 /nfs/dbraw/zinc/00/86/93/130008693.db2.gz BQPDNZURLJKOQI-UHFFFAOYSA-N 0 1 299.761 3.857 20 0 CHADMN Cc1ccc([C@H](N[C@H](C)c2nccn2C)C2CC2)cc1 ZINC000341760482 130026745 /nfs/dbraw/zinc/02/67/45/130026745.db2.gz ZJVJVRQHBUNSMT-CJNGLKHVSA-N 0 1 269.392 3.530 20 0 CHADMN C[C@@H]1CN(CCCCCF)[C@@H](c2ccccc2)CO1 ZINC000341887397 130112930 /nfs/dbraw/zinc/11/29/30/130112930.db2.gz HXRJSHIBWHJLTN-GDBMZVCRSA-N 0 1 265.372 3.588 20 0 CHADMN C[C@H]1COC[C@H](c2ccccc2)N1CCCCCF ZINC000341914823 130126744 /nfs/dbraw/zinc/12/67/44/130126744.db2.gz ZRDZNXNZFXXRFP-GOEBONIOSA-N 0 1 265.372 3.588 20 0 CHADMN Fc1ccc(Cl)cc1CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342023632 130204948 /nfs/dbraw/zinc/20/49/48/130204948.db2.gz RASCEJRMWYBZIV-CABCVRRESA-N 0 1 283.774 3.623 20 0 CHADMN Fc1cccc(Cl)c1CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000342056039 130225628 /nfs/dbraw/zinc/22/56/28/130225628.db2.gz GQGAZWIQYYTDOL-GJZGRUSLSA-N 0 1 283.774 3.623 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H]3CC4CCC3CC4)ccc12 ZINC000344948824 533672390 /nfs/dbraw/zinc/67/23/90/533672390.db2.gz JLHMCQSVTVQXGN-QOZQQMKHSA-N 0 1 283.375 3.636 20 0 CHADMN CC(C)c1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000007781918 170302184 /nfs/dbraw/zinc/30/21/84/170302184.db2.gz LLANETRLBOHHBK-UHFFFAOYSA-N 0 1 274.408 3.625 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1[C@H](C)CCC[C@H]1C ZINC000009997616 170394257 /nfs/dbraw/zinc/39/42/57/170394257.db2.gz DKXAQGYGANHKIW-VXGBXAGGSA-N 0 1 294.826 3.850 20 0 CHADMN COc1ccccc1[C@H](C)NCc1ccc(F)c(F)c1 ZINC000020096611 170995746 /nfs/dbraw/zinc/99/57/46/170995746.db2.gz LUTOVEQKTPFWIQ-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccccn1)c1ccc(OC)cc1 ZINC000020123573 171005147 /nfs/dbraw/zinc/00/51/47/171005147.db2.gz YZMPROWKKMCWQU-CZUORRHYSA-N 0 1 270.376 3.892 20 0 CHADMN COc1ccc(OC)c([C@H](C)N[C@@H](C)c2cccnc2)c1 ZINC000020127666 171013092 /nfs/dbraw/zinc/01/30/92/171013092.db2.gz MADARMDEGYQTFK-STQMWFEESA-N 0 1 286.375 3.511 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cccnc2)c(OC)c1 ZINC000020127827 171013622 /nfs/dbraw/zinc/01/36/22/171013622.db2.gz YMVBRFNUHHDODC-QWHCGFSZSA-N 0 1 286.375 3.511 20 0 CHADMN C[C@H](NCc1ccc(Br)s1)c1cccnc1 ZINC000020127846 171013966 /nfs/dbraw/zinc/01/39/66/171013966.db2.gz ZEOJXRDUVHAPDZ-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN Cc1cccc(CNCc2ccc(Br)o2)c1 ZINC000020133928 171021807 /nfs/dbraw/zinc/02/18/07/171021807.db2.gz NSWPIUAUJYXTLV-UHFFFAOYSA-N 0 1 280.165 3.640 20 0 CHADMN COc1ccc(CN[C@H](C)c2cccc(Cl)c2)cn1 ZINC000020186380 171050364 /nfs/dbraw/zinc/05/03/64/171050364.db2.gz YSJBEPUQFCOUBO-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN C[C@@H](NCc1cc(Br)cs1)c1ccccn1 ZINC000020306357 171143014 /nfs/dbraw/zinc/14/30/14/171143014.db2.gz FDVRPHWGRZPTLG-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN CCc1ccc(NC(=O)c2ccc(Cl)cc2O)cc1 ZINC000020564269 171253235 /nfs/dbraw/zinc/25/32/35/171253235.db2.gz KXOIAETUXKMZIZ-UHFFFAOYSA-N 0 1 275.735 3.860 20 0 CHADMN CCOc1ccc(NC(=O)c2ccc(Cl)cc2O)cc1 ZINC000022148430 171357483 /nfs/dbraw/zinc/35/74/83/171357483.db2.gz WDMAONILFDORRO-UHFFFAOYSA-N 0 1 291.734 3.697 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@H](C)c1ccc(Cl)s1 ZINC000035253692 172083311 /nfs/dbraw/zinc/08/33/11/172083311.db2.gz PWXKLLXZEHXASC-SECBINFHSA-N 0 1 283.828 3.603 20 0 CHADMN C[C@@H](Cc1ccco1)NCc1c(F)cccc1Cl ZINC000035254432 172084082 /nfs/dbraw/zinc/08/40/82/172084082.db2.gz UWOUVWYZMFECGR-JTQLQIEISA-N 0 1 267.731 3.793 20 0 CHADMN Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000035303028 172117832 /nfs/dbraw/zinc/11/78/32/172117832.db2.gz PLRWCUKSMAWYHH-INIZCTEOSA-N 0 1 289.419 3.650 20 0 CHADMN CCCOc1cccc(CNc2ccc3c[nH]nc3c2)c1 ZINC000038038333 174039131 /nfs/dbraw/zinc/03/91/31/174039131.db2.gz KBWUQEIGBZSLLC-UHFFFAOYSA-N 0 1 281.359 3.964 20 0 CHADMN Fc1ccccc1CNCc1ccc(Cl)c(F)c1 ZINC000043388354 175033250 /nfs/dbraw/zinc/03/32/50/175033250.db2.gz SMVPQLNUWHOZLB-UHFFFAOYSA-N 0 1 267.706 3.908 20 0 CHADMN C[C@@H](NCc1ccccc1)c1nc2c(s1)CCCC2 ZINC000045205935 175327476 /nfs/dbraw/zinc/32/74/76/175327476.db2.gz QUCOQBDDTHECMM-GFCCVEGCSA-N 0 1 272.417 3.873 20 0 CHADMN CC[C@H](NCc1scnc1C)c1ccccc1OC ZINC000071212804 176083985 /nfs/dbraw/zinc/08/39/85/176083985.db2.gz YETUENXIVNFQKS-ZDUSSCGKSA-N 0 1 276.405 3.701 20 0 CHADMN COc1cccc(-c2nc(CN3CCC[C@@H](C)C3)co2)c1 ZINC000072180413 176334626 /nfs/dbraw/zinc/33/46/26/176334626.db2.gz KYKJWABQXZFBAP-CYBMUJFWSA-N 0 1 286.375 3.582 20 0 CHADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@@H](C(C)(C)C)C1 ZINC000334746563 225271701 /nfs/dbraw/zinc/27/17/01/225271701.db2.gz AVLCUUDMOONIOW-CHWSQXEVSA-N 0 1 299.418 3.764 20 0 CHADMN c1ccc2nc(CN3CCC[C@@H]3c3cccnc3)ccc2c1 ZINC000346975938 226002286 /nfs/dbraw/zinc/00/22/86/226002286.db2.gz GKOJZEDQZZIZRX-LJQANCHMSA-N 0 1 289.382 3.967 20 0 CHADMN C[C@H](CO)N(Cc1csc(C(C)(C)C)n1)C1CCCC1 ZINC000347170701 226067772 /nfs/dbraw/zinc/06/77/72/226067772.db2.gz PUWWBBGGFPMFHS-GFCCVEGCSA-N 0 1 296.480 3.566 20 0 CHADMN C[C@@]1(c2ccc(F)cc2)CCN(Cc2cncc(F)c2)C1 ZINC000347200209 226084213 /nfs/dbraw/zinc/08/42/13/226084213.db2.gz LDKROEWDMJWPDA-QGZVFWFLSA-N 0 1 288.341 3.523 20 0 CHADMN C[C@@H]1CC(C)(C)CN1Cc1cnc([C@H]2CCCO2)s1 ZINC000335264470 226098149 /nfs/dbraw/zinc/09/81/49/226098149.db2.gz ZXLDUIYLGHVWMV-DGCLKSJQSA-N 0 1 280.437 3.615 20 0 CHADMN Cc1cccc(CN(Cc2ccc(F)cc2)C2CC2)n1 ZINC000347356501 226150367 /nfs/dbraw/zinc/15/03/67/226150367.db2.gz DUXTXXJPHYAJRQ-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)N1CC[C@@H](C)[C@H](C)C1 ZINC000347585696 226208804 /nfs/dbraw/zinc/20/88/04/226208804.db2.gz HVACIXYUCDBBLG-UTUOFQBUSA-N 0 1 291.420 3.837 20 0 CHADMN Fc1ccc(CN2CCC=C(c3cccnc3)C2)cc1 ZINC000347710332 226230241 /nfs/dbraw/zinc/23/02/41/226230241.db2.gz TWBWQZGQRWAAKP-UHFFFAOYSA-N 0 1 268.335 3.510 20 0 CHADMN Cc1cc(C(=O)CN2CCC[C@H]2c2ccccc2)c(C)[nH]1 ZINC000348001948 226395110 /nfs/dbraw/zinc/39/51/10/226395110.db2.gz PWQFIPUYHWWFLC-KRWDZBQOSA-N 0 1 282.387 3.651 20 0 CHADMN Cn1nccc1[C@H]1CCCCN1Cc1ccc2occc2c1 ZINC000348283322 226437298 /nfs/dbraw/zinc/43/72/98/226437298.db2.gz BSTPCGSWNGDKOJ-QGZVFWFLSA-N 0 1 295.386 3.894 20 0 CHADMN CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCCCC(=O)[O-])o1 ZINC000575188028 335077801 /nfs/dbraw/zinc/07/78/01/335077801.db2.gz GKPAIWJWRQABRW-ZFWWWQNUSA-N 0 1 293.407 3.870 20 0 CHADMN FC[C@@H]1CCCN1Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000354519695 227020730 /nfs/dbraw/zinc/02/07/30/227020730.db2.gz HATDXYCKPUHOAE-AWEZNQCLSA-N 0 1 293.773 3.664 20 0 CHADMN C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCC[C@H]1C ZINC000336450106 227021505 /nfs/dbraw/zinc/02/15/05/227021505.db2.gz PHDBTPORIAZLOV-GHMZBOCLSA-N 0 1 291.782 3.935 20 0 CHADMN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccsc1Cl ZINC000336462955 227037309 /nfs/dbraw/zinc/03/73/09/227037309.db2.gz UNVQZRASWXHMOV-WPRPVWTQSA-N 0 1 272.801 3.537 20 0 CHADMN Cc1ccc(-c2cnc(CN[C@H]3CCC3(C)C)o2)cc1 ZINC000575192947 335078717 /nfs/dbraw/zinc/07/87/17/335078717.db2.gz SMKYEMZGGOFXMO-HNNXBMFYSA-N 0 1 270.376 3.928 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cccnc1C1CC1 ZINC000336483720 227057335 /nfs/dbraw/zinc/05/73/35/227057335.db2.gz ZKDDMFUESASSSW-UHFFFAOYSA-N 0 1 288.734 3.570 20 0 CHADMN Cc1ccccc1[C@@H](C)N(C)C(=O)c1cccc2c[nH]nc21 ZINC000350767221 227077056 /nfs/dbraw/zinc/07/70/56/227077056.db2.gz LBCWMPHDIDAUNF-CYBMUJFWSA-N 0 1 293.370 3.705 20 0 CHADMN c1oc2ccccc2c1CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000354716659 227080824 /nfs/dbraw/zinc/08/08/24/227080824.db2.gz YEWCNGDCHDLFEL-ZWKOTPCHSA-N 0 1 283.371 3.576 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC=C(c3ccccc3)C2)cn1 ZINC000336542963 227108689 /nfs/dbraw/zinc/10/86/89/227108689.db2.gz VOIJUVXNEQAPAL-OAHLLOKOSA-N 0 1 279.387 3.635 20 0 CHADMN CC(C)(C)CN1CCCn2c(cc3ccccc32)C1 ZINC000575219037 335083095 /nfs/dbraw/zinc/08/30/95/335083095.db2.gz QKEZYIQIEFZZKY-UHFFFAOYSA-N 0 1 256.393 3.893 20 0 CHADMN Cc1cc(CN2C[C@@H](C)CC[C@H]2c2ccccc2)no1 ZINC000352794914 227230713 /nfs/dbraw/zinc/23/07/13/227230713.db2.gz SGLQCVLZCZEFCH-GUYCJALGSA-N 0 1 270.376 3.956 20 0 CHADMN C[C@H]1CSC[C@H]1NCc1csc(-c2ccsc2)n1 ZINC000352796580 227232119 /nfs/dbraw/zinc/23/21/19/227232119.db2.gz GRJQCDMSHPNSGR-JOYOIKCWSA-N 0 1 296.486 3.713 20 0 CHADMN C[C@H]1CSC[C@H]1NCc1csc(-c2cccs2)n1 ZINC000352814245 227251612 /nfs/dbraw/zinc/25/16/12/227251612.db2.gz GWDVCFRGVGTHNX-GXSJLCMTSA-N 0 1 296.486 3.713 20 0 CHADMN Oc1cc(CNCc2ccsc2)cc(C(F)(F)F)c1 ZINC000352829280 227304119 /nfs/dbraw/zinc/30/41/19/227304119.db2.gz ADZCBJLQPZQRMR-UHFFFAOYSA-N 0 1 287.306 3.762 20 0 CHADMN Cc1sccc1CN1Cc2ccccc2OC[C@H]1C ZINC000352851447 227328642 /nfs/dbraw/zinc/32/86/42/227328642.db2.gz BJENULIWWMTCQF-GFCCVEGCSA-N 0 1 273.401 3.840 20 0 CHADMN C[C@H]1CCC[C@H](c2noc(-c3ccc4cncn4c3)n2)C1 ZINC000329596776 227628684 /nfs/dbraw/zinc/62/86/84/227628684.db2.gz PHIWXGAZLBMQQO-RYUDHWBXSA-N 0 1 282.347 3.678 20 0 CHADMN C[C@@H]1CSCCN1Cc1cccc(OC(F)(F)F)c1 ZINC000353484532 228109246 /nfs/dbraw/zinc/10/92/46/228109246.db2.gz WUUOLJVCSPQWIF-SNVBAGLBSA-N 0 1 291.338 3.523 20 0 CHADMN Cc1ccnc([C@H](C)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000353521709 228113932 /nfs/dbraw/zinc/11/39/32/228113932.db2.gz SCTHVZLZBVIZCI-SJORKVTESA-N 0 1 297.446 3.561 20 0 CHADMN c1ccc(-c2noc(CN[C@@H]3CCC[C@@H](C4CC4)C3)n2)cc1 ZINC000330129750 228045729 /nfs/dbraw/zinc/04/57/29/228045729.db2.gz ONHBTUXZNLXZKM-HZPDHXFCSA-N 0 1 297.402 3.795 20 0 CHADMN CCc1nnc(CN[C@H]2CC[C@H](c3ccccc3)C2)s1 ZINC000353100601 228059195 /nfs/dbraw/zinc/05/91/95/228059195.db2.gz ZIQKBBUYRWUNGN-KBPBESRZSA-N 0 1 287.432 3.526 20 0 CHADMN CCn1cc(CN[C@@H](C)c2cc3cccc(F)c3o2)cn1 ZINC000353206925 228068794 /nfs/dbraw/zinc/06/87/94/228068794.db2.gz HKBVNDXXERVLFX-NSHDSACASA-N 0 1 287.338 3.639 20 0 CHADMN Cc1noc([C@H]2CCCCN2CCCC(C)(C)C)n1 ZINC000353558228 228120261 /nfs/dbraw/zinc/12/02/61/228120261.db2.gz XEVUFPLFGZUXHF-CYBMUJFWSA-N 0 1 265.401 3.731 20 0 CHADMN c1c2ccccc2oc1[C@@H](NC1CC1)c1cccnc1 ZINC000353343188 228088552 /nfs/dbraw/zinc/08/85/52/228088552.db2.gz CTLQIAAPFMKBSM-KRWDZBQOSA-N 0 1 264.328 3.669 20 0 CHADMN COc1ccc(F)cc1CNC(C)(C)c1ccc(C)nc1 ZINC000353572595 228124706 /nfs/dbraw/zinc/12/47/06/228124706.db2.gz SPEGVEUOPVDENP-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN C[C@H]1CCCN1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000353586525 228126055 /nfs/dbraw/zinc/12/60/55/228126055.db2.gz DATFZFCZWQGONH-VIFPVBQESA-N 0 1 261.262 3.829 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@H](c2cccnc2)C2CC2)c1 ZINC000353611857 228131021 /nfs/dbraw/zinc/13/10/21/228131021.db2.gz FVZDPYOLBFTXOH-DYVFJYSZSA-N 0 1 267.376 3.587 20 0 CHADMN Fc1c(Cl)cccc1CN1CCC2(CCC2)C1 ZINC000353669608 228142290 /nfs/dbraw/zinc/14/22/90/228142290.db2.gz DJAFSFVAPJFPNJ-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN Fc1c(Cl)cccc1CN1CCC[C@@]2(CCCOC2)C1 ZINC000353743601 228149290 /nfs/dbraw/zinc/14/92/90/228149290.db2.gz CYCWLXUJPWEEFZ-MRXNPFEDSA-N 0 1 297.801 3.872 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(OC(C)C)cc2)n1 ZINC000353755445 228150751 /nfs/dbraw/zinc/15/07/51/228150751.db2.gz RYPYUWACLGFSCH-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN Cc1cccc([C@H](C)N[C@H](c2nccn2C)C2CC2)c1C ZINC000353862243 228160024 /nfs/dbraw/zinc/16/00/24/228160024.db2.gz FXCFTWDOBOIUQT-YOEHRIQHSA-N 0 1 283.419 3.839 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](c2nccn2C)C2CC2)c(C)c1 ZINC000353864736 228160186 /nfs/dbraw/zinc/16/01/86/228160186.db2.gz JFAYCTWZMULGTP-RHSMWYFYSA-N 0 1 283.419 3.839 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@H](c2nccn2C)C2CC2)c1 ZINC000353883457 228162385 /nfs/dbraw/zinc/16/23/85/228162385.db2.gz UESGGKRNFCLEOA-YOEHRIQHSA-N 0 1 283.419 3.839 20 0 CHADMN Clc1cnc(CN2CCC[C@@H]2C2CCCC2)s1 ZINC000351997852 228173143 /nfs/dbraw/zinc/17/31/43/228173143.db2.gz WBZKSHLTECDZDQ-LLVKDONJSA-N 0 1 270.829 3.951 20 0 CHADMN Cc1ccc2cc(-c3nc(C4(N)CCCCC4)no3)[nH]c2c1 ZINC000333359632 228198450 /nfs/dbraw/zinc/19/84/50/228198450.db2.gz CRNXCQWDPDFSLO-UHFFFAOYSA-N 0 1 296.374 3.644 20 0 CHADMN c1cc([C@@H]2CCCCN2CCCc2ccsc2)n[nH]1 ZINC000352231230 228202128 /nfs/dbraw/zinc/20/21/28/228202128.db2.gz QHRBNGZAPHBUOV-HNNXBMFYSA-N 0 1 275.421 3.631 20 0 CHADMN Cc1noc([C@H](C)N[C@H]2CCCC23CCCCC3)n1 ZINC000333600123 228206369 /nfs/dbraw/zinc/20/63/69/228206369.db2.gz VBQMOGGORAYMCH-AAEUAGOBSA-N 0 1 263.385 3.532 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2C[C@@H](C)Oc3ccccc32)s1 ZINC000336213822 228215040 /nfs/dbraw/zinc/21/50/40/228215040.db2.gz NBFOWBIDDMKVFH-QMTHXVAHSA-N 0 1 288.416 3.762 20 0 CHADMN Cc1ncccc1CN1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000336228129 228218246 /nfs/dbraw/zinc/21/82/46/228218246.db2.gz QBOQMFYUVRUFTH-GXFFZTMASA-N 0 1 272.314 3.553 20 0 CHADMN Cc1nc([C@H](C)Sc2ccc(F)c(Cl)c2)n[nH]1 ZINC000412984333 262750158 /nfs/dbraw/zinc/75/01/58/262750158.db2.gz BUWGKLVHUUHDJW-LURJTMIESA-N 0 1 271.748 3.759 20 0 CHADMN CCCNCc1csc(COc2ccc(C)cc2)n1 ZINC000035718933 260034746 /nfs/dbraw/zinc/03/47/46/260034746.db2.gz BJBKYCXMYXSZQH-UHFFFAOYSA-N 0 1 276.405 3.530 20 0 CHADMN Cc1ccc(CN(C)Cc2c[nH]nc2C(C)(C)C)cc1 ZINC000179602322 260057781 /nfs/dbraw/zinc/05/77/81/260057781.db2.gz VOSBLUIIKVDMGS-UHFFFAOYSA-N 0 1 271.408 3.648 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1cccc(O)c1 ZINC000036982028 260060448 /nfs/dbraw/zinc/06/04/48/260060448.db2.gz GJJLWJCVJJFGKP-NEPJUHHUSA-N 0 1 285.343 3.533 20 0 CHADMN Cc1ccc2ncc(CN(C)[C@@H](C)c3ccccc3)n2c1 ZINC000179702338 260065113 /nfs/dbraw/zinc/06/51/13/260065113.db2.gz UQZLFNGIWDVXHM-HNNXBMFYSA-N 0 1 279.387 3.836 20 0 CHADMN C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000179801967 260071848 /nfs/dbraw/zinc/07/18/48/260071848.db2.gz VHDJSQMMOZCVJT-LBPRGKRZSA-N 0 1 283.350 3.895 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1cnn2ccccc12 ZINC000179802496 260072061 /nfs/dbraw/zinc/07/20/61/260072061.db2.gz XQSMYOJUHRMJFJ-ZDUSSCGKSA-N 0 1 283.350 3.666 20 0 CHADMN CCOC(=O)c1ccc(CN(C)[C@H]2CCc3ccccc32)o1 ZINC000179909024 260079996 /nfs/dbraw/zinc/07/99/96/260079996.db2.gz WLUBKUZUYKWQSH-INIZCTEOSA-N 0 1 299.370 3.576 20 0 CHADMN CCCN(Cc1ccc(OC)c(OC)c1Cl)C1CC1 ZINC000180098997 260093486 /nfs/dbraw/zinc/09/34/86/260093486.db2.gz HZNMIWRLJDGPPQ-UHFFFAOYSA-N 0 1 283.799 3.732 20 0 CHADMN COc1ccc(CNCc2cc(Cl)cc(Cl)c2)cn1 ZINC000037423718 260104426 /nfs/dbraw/zinc/10/44/26/260104426.db2.gz IMDIFAQRIOPXRA-UHFFFAOYSA-N 0 1 297.185 3.687 20 0 CHADMN COc1ncccc1CN[C@@H]1CCCCc2ccccc21 ZINC000037650444 260115697 /nfs/dbraw/zinc/11/56/97/260115697.db2.gz UMNATXIYMGBMOO-QGZVFWFLSA-N 0 1 282.387 3.648 20 0 CHADMN CCOc1cc(CNCc2ccc(Cl)s2)ccc1O ZINC000070211767 260153831 /nfs/dbraw/zinc/15/38/31/260153831.db2.gz VLBSXANVUBKPMD-UHFFFAOYSA-N 0 1 297.807 3.796 20 0 CHADMN C[C@@H]1CCCCCN1CC(=O)c1c[nH]c2ccccc12 ZINC000070410636 260157105 /nfs/dbraw/zinc/15/71/05/260157105.db2.gz PNDUMADOHXNVFZ-CYBMUJFWSA-N 0 1 270.376 3.615 20 0 CHADMN CC[C@H](N[C@@H](C)c1nccn1C)c1ccc(C)cc1 ZINC000070444354 260157914 /nfs/dbraw/zinc/15/79/14/260157914.db2.gz TVVMKAJGJOQRLY-ZFWWWQNUSA-N 0 1 257.381 3.530 20 0 CHADMN COc1ccc2ccccc2c1CNCc1scnc1C ZINC000071212680 260160312 /nfs/dbraw/zinc/16/03/12/260160312.db2.gz GDUSCJXYZQTWHD-UHFFFAOYSA-N 0 1 298.411 3.903 20 0 CHADMN CC[C@@H](NCc1scnc1C)c1ccccc1OC ZINC000071212805 260160316 /nfs/dbraw/zinc/16/03/16/260160316.db2.gz YETUENXIVNFQKS-CYBMUJFWSA-N 0 1 276.405 3.701 20 0 CHADMN CCCOc1cccc(CNCc2scnc2C)c1 ZINC000071213013 260160594 /nfs/dbraw/zinc/16/05/94/260160594.db2.gz CFXJVYUWEQEYNG-UHFFFAOYSA-N 0 1 276.405 3.530 20 0 CHADMN CC[C@@H](NCc1ccnn1C)c1ccc(Cl)c(Cl)c1 ZINC000071333432 260161277 /nfs/dbraw/zinc/16/12/77/260161277.db2.gz QIYZKWZAVWKUCJ-CQSZACIVSA-N 0 1 298.217 3.968 20 0 CHADMN CC[C@H](NCc1cccc2[nH]ccc21)c1nccs1 ZINC000078004908 260168020 /nfs/dbraw/zinc/16/80/20/260168020.db2.gz PFIBXMYSRMVYIF-ZDUSSCGKSA-N 0 1 271.389 3.865 20 0 CHADMN C[C@@H](C1CCCCC1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000086725115 260209307 /nfs/dbraw/zinc/20/93/07/260209307.db2.gz PZCOPTUUYGZAID-ZDUSSCGKSA-N 0 1 275.392 3.785 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC000086725491 260209566 /nfs/dbraw/zinc/20/95/66/260209566.db2.gz DMGCRYSGELZXAO-KRWDZBQOSA-N 0 1 281.355 3.504 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000086810154 260210218 /nfs/dbraw/zinc/21/02/18/260210218.db2.gz XWAPIHNMRVSJOV-PBHICJAKSA-N 0 1 287.403 3.641 20 0 CHADMN CCO[C@@H]1C[C@@H](NCc2csc(C)n2)C12CCCCC2 ZINC000087299359 260212867 /nfs/dbraw/zinc/21/28/67/260212867.db2.gz QCGBMCNEBMWHAQ-HUUCEWRRSA-N 0 1 294.464 3.669 20 0 CHADMN CC[C@H](N[C@@H](C)c1cn(C)nc1C)c1ccccc1OC ZINC000087407903 260213911 /nfs/dbraw/zinc/21/39/11/260213911.db2.gz DHPBIJSMIOFTEY-LRDDRELGSA-N 0 1 287.407 3.539 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1C[C@H](C)CC[C@@H]1C ZINC000088706303 260234562 /nfs/dbraw/zinc/23/45/62/260234562.db2.gz WJGBHYRBEXRWOF-KGLIPLIRSA-N 0 1 289.419 3.908 20 0 CHADMN COC[C@@H](N[C@@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000089668370 260237146 /nfs/dbraw/zinc/23/71/46/260237146.db2.gz ZOHMWORGIHKCFB-SUMWQHHRSA-N 0 1 273.351 3.864 20 0 CHADMN COC[C@@H](N[C@H](C)c1cccc(F)c1)c1ccccc1 ZINC000089668861 260237682 /nfs/dbraw/zinc/23/76/82/260237682.db2.gz ZGUFEWMDCLRJER-CXAGYDPISA-N 0 1 273.351 3.864 20 0 CHADMN CC(C)n1cncc1CN[C@H]1CCSc2ccccc21 ZINC000090208346 260239029 /nfs/dbraw/zinc/23/90/29/260239029.db2.gz YQXZKJOUSMOSDY-HNNXBMFYSA-N 0 1 287.432 3.791 20 0 CHADMN COCc1cccc(CN[C@@H]2CSc3ccccc32)c1 ZINC000090715295 260261741 /nfs/dbraw/zinc/26/17/41/260261741.db2.gz CLLATYXEAGKGHC-MRXNPFEDSA-N 0 1 285.412 3.770 20 0 CHADMN Cc1noc(C)c1CN[C@@H](C)c1ccc2c(c1)CCC2 ZINC000092329536 260269336 /nfs/dbraw/zinc/26/93/36/260269336.db2.gz YUGQMKVRCWAYRK-NSHDSACASA-N 0 1 270.376 3.631 20 0 CHADMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])oc1CC ZINC000521257616 260281082 /nfs/dbraw/zinc/28/10/82/260281082.db2.gz NACCRYZZTZIEJD-OCCSQVGLSA-N 0 1 293.407 3.941 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccccc2-n2cccn2)o1 ZINC000040495463 260281624 /nfs/dbraw/zinc/28/16/24/260281624.db2.gz FHYIHJBJUZTACF-CQSZACIVSA-N 0 1 281.359 3.625 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@@H]2CCc3c2cccc3O)s1 ZINC000040518160 260290307 /nfs/dbraw/zinc/29/03/07/260290307.db2.gz PKJXBNJBIASEIL-QMTHXVAHSA-N 0 1 288.416 3.804 20 0 CHADMN C[N@@H+](Cc1csc(-c2ccccc2F)n1)C1CCC1 ZINC000075840964 260292197 /nfs/dbraw/zinc/29/21/97/260292197.db2.gz ZRLREBRGMSWCIU-UHFFFAOYSA-N 0 1 276.380 3.934 20 0 CHADMN CN(Cc1csc(-c2ccccc2F)n1)C1CCC1 ZINC000075840964 260292198 /nfs/dbraw/zinc/29/21/98/260292198.db2.gz ZRLREBRGMSWCIU-UHFFFAOYSA-N 0 1 276.380 3.934 20 0 CHADMN CCCN(C)Cc1c(F)cccc1OC(F)(F)F ZINC000517950577 260325561 /nfs/dbraw/zinc/32/55/61/260325561.db2.gz RWHNXWZNXODHFV-UHFFFAOYSA-N 0 1 265.250 3.566 20 0 CHADMN CC/C=C\CC[N@@H+](CCC(=O)[O-])Cc1cccc(F)c1F ZINC000517949046 260325062 /nfs/dbraw/zinc/32/50/62/260325062.db2.gz QBHJTXFCMJOEGT-ARJAWSKDSA-N 0 1 297.345 3.598 20 0 CHADMN CCC[N@@H+](C)Cc1c(F)cccc1OC(F)(F)F ZINC000517950577 260325559 /nfs/dbraw/zinc/32/55/59/260325559.db2.gz RWHNXWZNXODHFV-UHFFFAOYSA-N 0 1 265.250 3.566 20 0 CHADMN CC[C@@H](COC)N[C@H](C)c1c(F)cccc1Cl ZINC000090180406 260336386 /nfs/dbraw/zinc/33/63/86/260336386.db2.gz RXXOSGWBRVZVFH-ZJUUUORDSA-N 0 1 259.752 3.555 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc3[nH]cnc3c2)o1 ZINC000518272949 260365836 /nfs/dbraw/zinc/36/58/36/260365836.db2.gz XUBJNWYXWPVJOD-RISCZKNCSA-N 0 1 281.359 3.569 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc3nc[nH]c3c2)o1 ZINC000518272949 260365837 /nfs/dbraw/zinc/36/58/37/260365837.db2.gz XUBJNWYXWPVJOD-RISCZKNCSA-N 0 1 281.359 3.569 20 0 CHADMN CC1(C)CCN(Cc2sccc2Br)C1 ZINC000085697286 260378428 /nfs/dbraw/zinc/37/84/28/260378428.db2.gz NWJYPXVLYKOJGN-UHFFFAOYSA-N 0 1 274.227 3.743 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cncs2)cc1OC ZINC000129626368 260389728 /nfs/dbraw/zinc/38/97/28/260389728.db2.gz MDESNRUUUCFULX-QWRGUYRKSA-N 0 1 292.404 3.572 20 0 CHADMN Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCCCC(=O)[O-] ZINC000518385974 260393822 /nfs/dbraw/zinc/39/38/22/260393822.db2.gz ANVIXHFUTPMIOK-GFCCVEGCSA-N 0 1 298.452 3.823 20 0 CHADMN CCSCCN[C@H](c1ccco1)c1ccc(OC)cc1 ZINC000449771387 260844342 /nfs/dbraw/zinc/84/43/42/260844342.db2.gz GSMKGKKDFVSIQO-INIZCTEOSA-N 0 1 291.416 3.720 20 0 CHADMN Cc1cccc(CN(C)C[C@@H](OC(C)C)c2ccccc2)n1 ZINC000428383045 260890303 /nfs/dbraw/zinc/89/03/03/260890303.db2.gz QPXFNMMQVKVUNR-LJQANCHMSA-N 0 1 298.430 3.988 20 0 CHADMN Cc1ncc([C@H](C)N[C@H]2CCCOc3ccccc32)c(C)n1 ZINC000133532657 260905886 /nfs/dbraw/zinc/90/58/86/260905886.db2.gz MOMCBPNOJODGDN-GUYCJALGSA-N 0 1 297.402 3.658 20 0 CHADMN CC[C@H](N[C@H](CO)c1ccccc1)c1ccccc1F ZINC000169062057 260916158 /nfs/dbraw/zinc/91/61/58/260916158.db2.gz DJQJOCOIQNZWNE-DLBZAZTESA-N 0 1 273.351 3.600 20 0 CHADMN Cn1ccnc1CN[C@@H](CC(C)(C)C)c1ccccc1 ZINC000051923124 260975287 /nfs/dbraw/zinc/97/52/87/260975287.db2.gz VGOOAMGCTSSKNJ-HNNXBMFYSA-N 0 1 271.408 3.687 20 0 CHADMN CCN(Cc1nc(C(C)(C)C)no1)[C@@H]1CCCC[C@@H]1C ZINC000444656913 261059052 /nfs/dbraw/zinc/05/90/52/261059052.db2.gz ARKOBLVUFBIECM-QWHCGFSZSA-N 0 1 279.428 3.768 20 0 CHADMN Cc1cc2cc([C@H](C)NCc3ccnn3C)oc2cc1C ZINC000152181134 261061066 /nfs/dbraw/zinc/06/10/66/261061066.db2.gz IWIYBCKHAVLLNH-ZDUSSCGKSA-N 0 1 283.375 3.634 20 0 CHADMN CO[C@H]1CCCN([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000152244652 261062137 /nfs/dbraw/zinc/06/21/37/261062137.db2.gz AFKTYYQXVXYKEU-HIFRSBDPSA-N 0 1 286.375 3.513 20 0 CHADMN CC(=O)Nc1ccc(CNC2(c3cccc(F)c3)CC2)cc1 ZINC000152875952 261070761 /nfs/dbraw/zinc/07/07/61/261070761.db2.gz KOPXMDFXSKIDHO-UHFFFAOYSA-N 0 1 298.361 3.563 20 0 CHADMN COCc1ccc(CN2CCC[C@@H]2c2ccsc2)o1 ZINC000153532278 261080046 /nfs/dbraw/zinc/08/00/46/261080046.db2.gz YQRJZFHREJINBA-OAHLLOKOSA-N 0 1 277.389 3.825 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1cccc(C)c1C ZINC000153918505 261084856 /nfs/dbraw/zinc/08/48/56/261084856.db2.gz JNGMVVYRLVBAQW-GFCCVEGCSA-N 0 1 258.365 3.759 20 0 CHADMN CCC[C@H](NCc1c(C)noc1C)c1ccc(OC)cc1 ZINC000153915004 261085162 /nfs/dbraw/zinc/08/51/62/261085162.db2.gz VSNIWUDGTVSCSS-KRWDZBQOSA-N 0 1 288.391 3.931 20 0 CHADMN CCOc1ccccc1[C@H](CC)N[C@H](C)c1cnn(C)c1 ZINC000153954575 261085692 /nfs/dbraw/zinc/08/56/92/261085692.db2.gz IYEIWMAEEXAIJF-CJNGLKHVSA-N 0 1 287.407 3.621 20 0 CHADMN CCN(CCc1ccccc1)[C@H](C)c1nc(C(C)C)no1 ZINC000154084951 261087141 /nfs/dbraw/zinc/08/71/41/261087141.db2.gz RYKSPCMDWWRCJR-CQSZACIVSA-N 0 1 287.407 3.819 20 0 CHADMN c1ccc(-c2nnc(CN3CCCCCC3)s2)cc1 ZINC000155098721 261098109 /nfs/dbraw/zinc/09/81/09/261098109.db2.gz CPVXRKKFMAROOU-UHFFFAOYSA-N 0 1 273.405 3.581 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccc(F)c(Cl)c2)c(C)n1 ZINC000155166628 261098909 /nfs/dbraw/zinc/09/89/09/261098909.db2.gz GJMMBKWLGORWRI-VIFPVBQESA-N 0 1 293.773 3.737 20 0 CHADMN c1ccc(-c2nnc(CN3CCC[C@H]4CCC[C@@H]43)s2)cc1 ZINC000155272481 261100044 /nfs/dbraw/zinc/10/00/44/261100044.db2.gz SEXJXUVSIRRFJI-HIFRSBDPSA-N 0 1 299.443 3.970 20 0 CHADMN CCN(c1ccc(NCC2=CCCOC2)cc1)C(C)C ZINC000155662360 261105331 /nfs/dbraw/zinc/10/53/31/261105331.db2.gz GFUUQRKSRZESQF-UHFFFAOYSA-N 0 1 274.408 3.680 20 0 CHADMN C[C@H]1CN(Cc2ncc(C(C)(C)C)s2)C[C@H]1C ZINC000448336225 261117775 /nfs/dbraw/zinc/11/77/75/261117775.db2.gz ARHJMELLKDFCKK-PHIMTYICSA-N 0 1 252.427 3.528 20 0 CHADMN C[C@H]1CCN(Cc2ncc(C(C)(C)C)s2)C[C@H]1C ZINC000448337057 261118495 /nfs/dbraw/zinc/11/84/95/261118495.db2.gz LGWYNEPYBHIFIW-NWDGAFQWSA-N 0 1 266.454 3.919 20 0 CHADMN C[C@H](O)C[C@H]1CCCCN1Cc1ccsc1Cl ZINC000448364784 261128805 /nfs/dbraw/zinc/12/88/05/261128805.db2.gz GTTQXAQOOMKDRI-CMPLNLGQSA-N 0 1 273.829 3.527 20 0 CHADMN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)c1c(F)cccc1F ZINC000225416777 261151717 /nfs/dbraw/zinc/15/17/17/261151717.db2.gz YBBDLSQCCXAWKO-LEWSCRJBSA-N 0 1 269.335 3.573 20 0 CHADMN CC(C)n1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000172334428 261153641 /nfs/dbraw/zinc/15/36/41/261153641.db2.gz BWOQOAPGBODSCG-HOCLYGCPSA-N 0 1 261.413 3.619 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)C3CCCC3)c2C1 ZINC000158297558 261162387 /nfs/dbraw/zinc/16/23/87/261162387.db2.gz XAKJLHADLAYEBB-UHFFFAOYSA-N 0 1 286.419 3.787 20 0 CHADMN Cc1[nH]ccc1C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000158296637 261162766 /nfs/dbraw/zinc/16/27/66/261162766.db2.gz WMUOXCGYNMWDRW-UHFFFAOYSA-N 0 1 297.402 3.547 20 0 CHADMN CCCOCc1ccccc1CN[C@@H](C)c1ccccn1 ZINC000158690529 261169327 /nfs/dbraw/zinc/16/93/27/261169327.db2.gz MQGXPOPZYRYMHC-HNNXBMFYSA-N 0 1 284.403 3.859 20 0 CHADMN Cc1cc(CN(C)CC(C)(C)c2ccc(C)cc2)no1 ZINC000173965064 261175071 /nfs/dbraw/zinc/17/50/71/261175071.db2.gz KPHUNHXFMWDQNT-UHFFFAOYSA-N 0 1 272.392 3.701 20 0 CHADMN C[C@H](c1ccco1)N(C(=O)c1cccc2[nH]cnc21)C1CC1 ZINC000159134404 261179410 /nfs/dbraw/zinc/17/94/10/261179410.db2.gz RULVCTYLELZWNY-LLVKDONJSA-N 0 1 295.342 3.522 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2)[C@H]1C(=O)[O-] ZINC000300295481 261190403 /nfs/dbraw/zinc/19/04/03/261190403.db2.gz ORMYSEIKBZOPMQ-CZUORRHYSA-N 0 1 289.419 3.669 20 0 CHADMN COCC1(CN(C)Cc2ccc(F)cc2Cl)CCC1 ZINC000361291329 261193894 /nfs/dbraw/zinc/19/38/94/261193894.db2.gz XFZHSIQTBRNERX-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cncc(C(F)(F)F)c2)C1 ZINC000361382957 261231020 /nfs/dbraw/zinc/23/10/20/261231020.db2.gz YNQWOMSZYTZCTC-WOPDTQHZSA-N 0 1 286.341 3.967 20 0 CHADMN Oc1cc(Cl)ccc1-c1nc([C@@H]2CCCS2)no1 ZINC000161649211 261255224 /nfs/dbraw/zinc/25/52/24/261255224.db2.gz XEDPGOANODCRLO-JTQLQIEISA-N 0 1 282.752 3.664 20 0 CHADMN CCCOc1ccc(CN[C@@H](C)c2cncs2)cc1 ZINC000161671741 261256293 /nfs/dbraw/zinc/25/62/93/261256293.db2.gz OLSSSYUTHXOQOU-LBPRGKRZSA-N 0 1 276.405 3.783 20 0 CHADMN Cn1cccc1CNCc1ccccc1OC1CCCC1 ZINC000161702910 261257380 /nfs/dbraw/zinc/25/73/80/261257380.db2.gz LLJYAZHEFQEXHT-UHFFFAOYSA-N 0 1 284.403 3.636 20 0 CHADMN CSCCCN(C)Cc1sccc1Br ZINC000300765327 261262973 /nfs/dbraw/zinc/26/29/73/261262973.db2.gz RKMVMCFNADICHR-UHFFFAOYSA-N 0 1 294.283 3.696 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)[C@@H](C)C3CC3)c2C1 ZINC000162201472 261273638 /nfs/dbraw/zinc/27/36/38/261273638.db2.gz AJBDOMWAMKCRNY-ZDUSSCGKSA-N 0 1 286.419 3.643 20 0 CHADMN Cc1nc(CN(C[C@@H]2CCCO2)C2CCCC2)sc1C ZINC000176384163 261281144 /nfs/dbraw/zinc/28/11/44/261281144.db2.gz GZVRQJCMJRSJDS-HNNXBMFYSA-N 0 1 294.464 3.684 20 0 CHADMN CCc1noc(C)c1CN(Cc1ccccc1)C1CC1 ZINC000162699857 261291445 /nfs/dbraw/zinc/29/14/45/261291445.db2.gz HYJUMXQZIDEVSW-UHFFFAOYSA-N 0 1 270.376 3.710 20 0 CHADMN Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[C@H](C)C2)c(C)c1 ZINC000007384288 261297428 /nfs/dbraw/zinc/29/74/28/261297428.db2.gz IMFKCBGOTRLZLO-BLLLJJGKSA-N 0 1 288.435 3.671 20 0 CHADMN Clc1ccc([C@@H](NCc2cc[nH]n2)C2CCC2)cc1 ZINC000105493737 261310945 /nfs/dbraw/zinc/31/09/45/261310945.db2.gz CYCIGNCFVVAFLE-HNNXBMFYSA-N 0 1 275.783 3.694 20 0 CHADMN CC[C@]1(C)CCCN(Cc2csc(N(C)C3CC3)n2)C1 ZINC000361521112 261313606 /nfs/dbraw/zinc/31/36/06/261313606.db2.gz YQOCCQHKQJDCPV-MRXNPFEDSA-N 0 1 293.480 3.754 20 0 CHADMN CCN(CC)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000176948065 261322023 /nfs/dbraw/zinc/32/20/23/261322023.db2.gz QCIQLHLZYDCALA-UHFFFAOYSA-N 0 1 277.751 3.681 20 0 CHADMN Cc1nc(C(C)C)sc1[C@H](C)N[C@@H](C)c1cnn(C)c1 ZINC000163855005 261332138 /nfs/dbraw/zinc/33/21/38/261332138.db2.gz YVBFBJGVWKQSFB-QWRGUYRKSA-N 0 1 292.452 3.720 20 0 CHADMN Cc1csc(CN[C@H]2CCCc3ccc(C)cc32)n1 ZINC000166082062 261382950 /nfs/dbraw/zinc/38/29/50/261382950.db2.gz SJGDCMHJNIFBFG-HNNXBMFYSA-N 0 1 272.417 3.927 20 0 CHADMN CCc1noc(CC)c1CN[C@H](C)c1cccs1 ZINC000166944909 261395882 /nfs/dbraw/zinc/39/58/82/261395882.db2.gz OWIJWGNVIXXWGK-SNVBAGLBSA-N 0 1 264.394 3.712 20 0 CHADMN C[C@H](NCc1cccc(Cl)n1)c1cccs1 ZINC000182555125 261452138 /nfs/dbraw/zinc/45/21/38/261452138.db2.gz LJFBFPLSTUERRI-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN CCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(C)C ZINC000171057230 261456480 /nfs/dbraw/zinc/45/64/80/261456480.db2.gz OYWMJEZUJDJIQL-UHFFFAOYSA-N 0 1 289.206 3.662 20 0 CHADMN CCc1ccc(CNCc2ccc(C)c(C)n2)cc1 ZINC000313937585 261543669 /nfs/dbraw/zinc/54/36/69/261543669.db2.gz NTODQACQSSOJDY-UHFFFAOYSA-N 0 1 254.377 3.551 20 0 CHADMN CC(C)c1nnc(CN2CC[C@H](c3ccccc3)[C@@H]2C)o1 ZINC000177532299 261704951 /nfs/dbraw/zinc/70/49/51/261704951.db2.gz FOFGZGKFLRCCKQ-ZFWWWQNUSA-N 0 1 285.391 3.571 20 0 CHADMN Brc1sccc1CNCc1cccs1 ZINC000336698822 261723976 /nfs/dbraw/zinc/72/39/76/261723976.db2.gz VXBSMYDRUWSMJY-UHFFFAOYSA-N 0 1 288.235 3.862 20 0 CHADMN Clc1ccc([C@H]2OCC[C@H]2NCc2ccco2)cc1 ZINC000182112822 261924433 /nfs/dbraw/zinc/92/44/33/261924433.db2.gz CFPAGVBPCIIGDH-HUUCEWRRSA-N 0 1 277.751 3.553 20 0 CHADMN CCOc1cccc(CN(C)[C@@H](C)c2ccncc2)c1 ZINC000183712105 261985221 /nfs/dbraw/zinc/98/52/21/261985221.db2.gz XMEWBPNUVXOANG-AWEZNQCLSA-N 0 1 270.376 3.673 20 0 CHADMN Cc1cncc([C@H](C)N[C@@H]2CCCc3occc32)c1 ZINC000184275741 262014996 /nfs/dbraw/zinc/01/49/96/262014996.db2.gz RFLWTNQLAFKZAQ-SWLSCSKDSA-N 0 1 256.349 3.711 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cncc(C)c2)cc1Cl ZINC000184415911 262019424 /nfs/dbraw/zinc/01/94/24/262019424.db2.gz DIYJFBFBZTWAOW-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CC(C)OCCN[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000184519478 262022282 /nfs/dbraw/zinc/02/22/82/262022282.db2.gz KYZOPVVPTGYXTA-ZDUSSCGKSA-N 0 1 290.432 3.886 20 0 CHADMN CCn1cc([C@@H](C)NCc2c(C)oc3ccccc32)cn1 ZINC000184723838 262027833 /nfs/dbraw/zinc/02/78/33/262027833.db2.gz MMSFUZBSMFDHAY-GFCCVEGCSA-N 0 1 283.375 3.808 20 0 CHADMN Cc1cnc([C@@H](C)NCCCOc2ccc(F)cc2)s1 ZINC000184975651 262035924 /nfs/dbraw/zinc/03/59/24/262035924.db2.gz JKSIWRZYALWCFN-GFCCVEGCSA-N 0 1 294.395 3.710 20 0 CHADMN CC(C)CCN[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185079996 262040126 /nfs/dbraw/zinc/04/01/26/262040126.db2.gz WIOHSAYWSTWTMF-LLVKDONJSA-N 0 1 277.343 3.572 20 0 CHADMN CCc1nnc(CN[C@H](C)C2(c3ccccc3)CCCC2)o1 ZINC000185951795 262072527 /nfs/dbraw/zinc/07/25/27/262072527.db2.gz JQRHWBIMIJUXNV-CQSZACIVSA-N 0 1 299.418 3.622 20 0 CHADMN CC[C@H](C)[C@H](C)NCc1ncc(-c2ccccc2)cn1 ZINC000186049889 262077274 /nfs/dbraw/zinc/07/72/74/262077274.db2.gz QHVUAFNUVZXVCS-KBPBESRZSA-N 0 1 269.392 3.668 20 0 CHADMN COc1ccsc1[C@H](C)NCc1ccc(F)cc1 ZINC000186073126 262078503 /nfs/dbraw/zinc/07/85/03/262078503.db2.gz KRBAOLVBCRMTBI-JTQLQIEISA-N 0 1 265.353 3.747 20 0 CHADMN CCSc1cccc(CN(CC)Cc2cnn(C)c2)c1 ZINC000186195818 262083335 /nfs/dbraw/zinc/08/33/35/262083335.db2.gz WOWMVRPPWLHFGG-UHFFFAOYSA-N 0 1 289.448 3.554 20 0 CHADMN CCSc1cccc(CN(C)Cc2cccnc2)c1 ZINC000186404060 262091907 /nfs/dbraw/zinc/09/19/07/262091907.db2.gz IQYNRCJUPBUNKQ-UHFFFAOYSA-N 0 1 272.417 3.826 20 0 CHADMN C[C@@H](c1ccccn1)[N@@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000186423603 262092723 /nfs/dbraw/zinc/09/27/23/262092723.db2.gz CUGXRBIGLAHNIY-HNNXBMFYSA-N 0 1 296.414 3.642 20 0 CHADMN C[C@H](c1ccccn1)[N@@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000186423622 262092902 /nfs/dbraw/zinc/09/29/02/262092902.db2.gz CUGXRBIGLAHNIY-OAHLLOKOSA-N 0 1 296.414 3.642 20 0 CHADMN Cc1cc(C)c([C@@H](C)N[C@@H](CCO)c2ccco2)cc1C ZINC000186541103 262097849 /nfs/dbraw/zinc/09/78/49/262097849.db2.gz PKACNBWOGSSTLF-WBVHZDCISA-N 0 1 287.403 3.979 20 0 CHADMN Cc1ccc([C@H](N[C@@H](CCO)c2ccco2)C2CC2)cc1 ZINC000186549493 262098016 /nfs/dbraw/zinc/09/80/16/262098016.db2.gz NIQWTWPCCWMKRN-WMZOPIPTSA-N 0 1 285.387 3.752 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](CCO)c2ccco2)cc1C ZINC000186547733 262098337 /nfs/dbraw/zinc/09/83/37/262098337.db2.gz XHXAQGSQGWJONO-HOCLYGCPSA-N 0 1 273.376 3.671 20 0 CHADMN Cc1cc(C)c([C@H](C)N[C@@H](CCO)c2ccco2)cc1C ZINC000186541121 262098344 /nfs/dbraw/zinc/09/83/44/262098344.db2.gz PKACNBWOGSSTLF-RDJZCZTQSA-N 0 1 287.403 3.979 20 0 CHADMN CSc1ccc([C@@H](C)N[C@@H](CCO)c2ccco2)cc1 ZINC000186554824 262099033 /nfs/dbraw/zinc/09/90/33/262099033.db2.gz GYDSRQNGFIBALS-DOMZBBRYSA-N 0 1 291.416 3.776 20 0 CHADMN CCn1cc([C@H](C)NCc2ccc(Cl)c(C)c2)cn1 ZINC000186757178 262109067 /nfs/dbraw/zinc/10/90/67/262109067.db2.gz RYDFDPMXTIKDMH-LBPRGKRZSA-N 0 1 277.799 3.716 20 0 CHADMN Cc1ccoc1CNCc1ccc(F)c(Br)c1 ZINC000310222025 262124038 /nfs/dbraw/zinc/12/40/38/262124038.db2.gz HJTYGYMKDDCERJ-UHFFFAOYSA-N 0 1 298.155 3.779 20 0 CHADMN CC[C@H]1C[C@@]1(NCc1ccnn1CC)c1cccc(C)c1 ZINC000500501448 262155121 /nfs/dbraw/zinc/15/51/21/262155121.db2.gz UQXHUGAVSYHKGF-YJBOKZPZSA-N 0 1 283.419 3.626 20 0 CHADMN Cc1cccc2nc(CNC(=O)CCCC3CCCC3)[nH]c21 ZINC000498630966 262155177 /nfs/dbraw/zinc/15/51/77/262155177.db2.gz QCACJMUEWKKNDV-UHFFFAOYSA-N 0 1 299.418 3.848 20 0 CHADMN CC[C@H](N[C@@H](CCO)c1ccco1)c1cccc(F)c1 ZINC000188479180 262157411 /nfs/dbraw/zinc/15/74/11/262157411.db2.gz GAVLJRWYNMIDGP-GJZGRUSLSA-N 0 1 277.339 3.583 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccccc2OC)cc1F ZINC000019903308 262205555 /nfs/dbraw/zinc/20/55/55/262205555.db2.gz UTHUUYABSCRZDY-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN CC(C)[C@H](NCc1ccc(F)cc1)c1ccc(F)cn1 ZINC000497841393 262217988 /nfs/dbraw/zinc/21/79/88/262217988.db2.gz QQRJAIRAJWWVKG-INIZCTEOSA-N 0 1 276.330 3.847 20 0 CHADMN FC1(F)CCCC[C@@H]1CNCc1ncc(Cl)s1 ZINC000390694770 262242059 /nfs/dbraw/zinc/24/20/59/262242059.db2.gz RBDTXZZMNBEDBQ-MRVPVSSYSA-N 0 1 280.771 3.712 20 0 CHADMN FCCN[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000390753677 262252210 /nfs/dbraw/zinc/25/22/10/262252210.db2.gz FOLAIQYQPTXWNM-LBPRGKRZSA-N 0 1 290.151 3.598 20 0 CHADMN FC(F)COCCN1CCC[C@H]1c1cccc(Cl)c1 ZINC000188796428 262319640 /nfs/dbraw/zinc/31/96/40/262319640.db2.gz VUFHMCUMKNTLEZ-ZDUSSCGKSA-N 0 1 289.753 3.759 20 0 CHADMN C[C@@H](CC(F)(F)F)N[C@@H](C)c1cc(F)ccc1F ZINC000221896782 262320689 /nfs/dbraw/zinc/32/06/89/262320689.db2.gz OBNWHEVBQKKZRJ-YUMQZZPRSA-N 0 1 267.241 3.956 20 0 CHADMN COC[C@H](N[C@H]1CS[C@@H](C(C)(C)C)C1)c1ccc(C)o1 ZINC000488440496 262321909 /nfs/dbraw/zinc/32/19/09/262321909.db2.gz JKQVACWSTJBUPJ-VNHYZAJKSA-N 0 1 297.464 3.785 20 0 CHADMN Cc1oc2ccccc2c1CN[C@@H](CO)c1ccccc1 ZINC000121283175 262336531 /nfs/dbraw/zinc/33/65/31/262336531.db2.gz YFYMVAHBEZQUQI-KRWDZBQOSA-N 0 1 281.355 3.564 20 0 CHADMN CCC(CC)N(CC(C)C)C(=O)c1c(O)cccc1F ZINC000228858700 262340343 /nfs/dbraw/zinc/34/03/43/262340343.db2.gz XIIMHSCESYOCKN-UHFFFAOYSA-N 0 1 281.371 3.818 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)CCC3CC3)n[nH]2)c(C)c1 ZINC000187054417 262377250 /nfs/dbraw/zinc/37/72/50/262377250.db2.gz UIIYTZRMFIVLHU-UHFFFAOYSA-N 0 1 297.402 3.566 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H](C)c1cccc(C)c1 ZINC000187062467 262377593 /nfs/dbraw/zinc/37/75/93/262377593.db2.gz OQOOYSCTQOOAJK-ZIAGYGMSSA-N 0 1 270.376 3.810 20 0 CHADMN Cc1nn(-c2ccccc2)c(C)c1CNCc1ccsc1 ZINC000058181157 262384620 /nfs/dbraw/zinc/38/46/20/262384620.db2.gz SUXHXZAOWGGFFQ-UHFFFAOYSA-N 0 1 297.427 3.840 20 0 CHADMN Cc1cc(CN[C@@H](C)c2csc(Cl)c2)ccn1 ZINC000391189146 262388187 /nfs/dbraw/zinc/38/81/87/262388187.db2.gz UTDHXMIJJFNLMO-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN C[C@@H](N(C)Cc1nc(C2CCCCC2)cs1)C(C)(C)O ZINC000451363200 262749575 /nfs/dbraw/zinc/74/95/75/262749575.db2.gz AZWAEFYDUWPVIF-GFCCVEGCSA-N 0 1 296.480 3.782 20 0 CHADMN Cc1nc([C@H](C)Sc2cc(Cl)ccc2F)n[nH]1 ZINC000413002628 262751810 /nfs/dbraw/zinc/75/18/10/262751810.db2.gz OIDGLNKBEKYLDK-LURJTMIESA-N 0 1 271.748 3.759 20 0 CHADMN C[C@H](N[C@@H]1CCSC1)c1csc(-c2ccccc2)n1 ZINC000414101730 262805001 /nfs/dbraw/zinc/80/50/01/262805001.db2.gz WPQMQODCYWWVLA-WCQYABFASA-N 0 1 290.457 3.966 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H](C)c2ccsc21)c1ccn(C)n1 ZINC000414169668 262813007 /nfs/dbraw/zinc/81/30/07/262813007.db2.gz BIKKZXBOFNREJT-UHIISALHSA-N 0 1 275.421 3.771 20 0 CHADMN CCn1ccc(CN[C@H](C)c2cc3ccccc3s2)n1 ZINC000414208534 262825093 /nfs/dbraw/zinc/82/50/93/262825093.db2.gz LUGFJJZSMAFXGL-GFCCVEGCSA-N 0 1 285.416 3.969 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2ccc(C)nn2)cc1 ZINC000414390411 262891721 /nfs/dbraw/zinc/89/17/21/262891721.db2.gz WZMWYEVOYZFBCE-SFHVURJKSA-N 0 1 281.403 3.821 20 0 CHADMN COc1cc(C)nc(CNCc2ccc(C(C)C)cc2)c1 ZINC000213481778 262992559 /nfs/dbraw/zinc/99/25/59/262992559.db2.gz KMYBPXDUOPQULN-UHFFFAOYSA-N 0 1 284.403 3.812 20 0 CHADMN Fc1cccc(Cl)c1CCCN1CCO[C@@H]2CCC[C@@H]21 ZINC000437153264 263001551 /nfs/dbraw/zinc/00/15/51/263001551.db2.gz VTRVNCKPPVSYJH-JKSUJKDBSA-N 0 1 297.801 3.665 20 0 CHADMN C[C@H](c1ccc(Cl)cc1Cl)N1CC[C@H]([C@H](C)O)C1 ZINC000272555078 263006440 /nfs/dbraw/zinc/00/64/40/263006440.db2.gz LDDRJRPSQZNCRA-VWYCJHECSA-N 0 1 288.218 3.757 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000414609755 263008902 /nfs/dbraw/zinc/00/89/02/263008902.db2.gz APSJLPAJPGLANT-XQHKEYJVSA-N 0 1 265.401 3.655 20 0 CHADMN C/C(=C\c1ccc(C)cc1)c1nc([C@H](N)CC(C)C)no1 ZINC000414609989 263009035 /nfs/dbraw/zinc/00/90/35/263009035.db2.gz AINZWLSARHOPMQ-NRMKIYEFSA-N 0 1 285.391 3.984 20 0 CHADMN Cc1csc(-c2nc([C@@H](N)CC(C)C)no2)c1Cl ZINC000414610402 263009162 /nfs/dbraw/zinc/00/91/62/263009162.db2.gz AXQYRZQDPVQEIN-QMMMGPOBSA-N 0 1 285.800 3.806 20 0 CHADMN CC(C)C[C@@H](N)c1noc(CC/C=C\c2ccccc2)n1 ZINC000414613712 263009636 /nfs/dbraw/zinc/00/96/36/263009636.db2.gz GCBIXXJPJKTVME-IZIDJEDMSA-N 0 1 285.391 3.762 20 0 CHADMN Cc1cccc(Cl)c1Cc1nc([C@@H](N)CC(C)C)no1 ZINC000414617350 263010772 /nfs/dbraw/zinc/01/07/72/263010772.db2.gz LFUWATRAAYADLM-ZDUSSCGKSA-N 0 1 293.798 3.668 20 0 CHADMN CC(C)C[C@@H](N)c1noc(CCCCC(C)(C)C)n1 ZINC000414615925 263011007 /nfs/dbraw/zinc/01/10/07/263011007.db2.gz JHYQETAFRMQSMM-GFCCVEGCSA-N 0 1 267.417 3.874 20 0 CHADMN NC1(c2noc(C3=C(c4ccccc4)CCCC3)n2)CCC1 ZINC000414621669 263014045 /nfs/dbraw/zinc/01/40/45/263014045.db2.gz AWJBZPOIVZINSI-UHFFFAOYSA-N 0 1 295.386 3.892 20 0 CHADMN Cc1ccc(-c2nc(C3(N)CCC3)no2)c2ccccc12 ZINC000414624550 263015793 /nfs/dbraw/zinc/01/57/93/263015793.db2.gz GZBCHLKDZXNTLL-UHFFFAOYSA-N 0 1 279.343 3.536 20 0 CHADMN Cc1oc2ccccc2c1Cc1nc([C@@H](N)CC(C)C)no1 ZINC000414624535 263015868 /nfs/dbraw/zinc/01/58/68/263015868.db2.gz VSHDORHHFGQKFG-AWEZNQCLSA-N 0 1 299.374 3.761 20 0 CHADMN NC1(c2noc(Cc3cc4ccccc4s3)n2)CCCC1 ZINC000414628379 263016749 /nfs/dbraw/zinc/01/67/49/263016749.db2.gz OAUPGUINFOHURC-UHFFFAOYSA-N 0 1 299.399 3.603 20 0 CHADMN Cc1cccc2cc(-c3nc(C4(N)CCC4)no3)sc21 ZINC000414631440 263017420 /nfs/dbraw/zinc/01/74/20/263017420.db2.gz XHSHDHHOBWIFLG-UHFFFAOYSA-N 0 1 285.372 3.598 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cc2cc(C)c(C)cc2o1 ZINC000414673345 263029885 /nfs/dbraw/zinc/02/98/85/263029885.db2.gz DIYDXWJAIJYXNB-ZDUSSCGKSA-N 0 1 289.375 3.735 20 0 CHADMN Cc1noc(C(C)(C)NC[C@H](C)c2cccc(Cl)c2)n1 ZINC000284049790 263085623 /nfs/dbraw/zinc/08/56/23/263085623.db2.gz PITINSUHBROCLI-JTQLQIEISA-N 0 1 293.798 3.660 20 0 CHADMN CC(C)COc1cccc(CNCc2ccoc2)c1 ZINC000340196914 263089481 /nfs/dbraw/zinc/08/94/81/263089481.db2.gz KVBYNGDQWDGNPJ-UHFFFAOYSA-N 0 1 259.349 3.604 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1ccc(F)c(C)c1 ZINC000285498361 263093525 /nfs/dbraw/zinc/09/35/25/263093525.db2.gz MYAWISBUWFAWTR-UHFFFAOYSA-N 0 1 276.355 3.764 20 0 CHADMN CSC1(CNc2ccc(Cl)c(CN(C)C)c2)CC1 ZINC000289749069 263111856 /nfs/dbraw/zinc/11/18/56/263111856.db2.gz PWJLFWLZRJIYMC-UHFFFAOYSA-N 0 1 284.856 3.709 20 0 CHADMN COc1cncc(CN2CCC(c3ccsc3)CC2)c1 ZINC000289956700 263113467 /nfs/dbraw/zinc/11/34/67/263113467.db2.gz PNSQCZDUTLSACK-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN CCc1nc(C)c([C@H](C)NCc2occc2C)s1 ZINC000293740102 263148677 /nfs/dbraw/zinc/14/86/77/263148677.db2.gz QQBHCUQCDFEHNR-JTQLQIEISA-N 0 1 264.394 3.766 20 0 CHADMN CC[C@H](C[C@@H](C)CC)NCc1ncc(C(F)(F)F)cn1 ZINC000295068227 263171816 /nfs/dbraw/zinc/17/18/16/263171816.db2.gz QVAQBGJZQJLAIG-CMPLNLGQSA-N 0 1 289.345 3.800 20 0 CHADMN Fc1ccc2c(c1)OCCC[C@@H]2N[C@@H]1CCC[C@H]1F ZINC000340529429 263186004 /nfs/dbraw/zinc/18/60/04/263186004.db2.gz JOQFSLPQWZQCHT-HZSPNIEDSA-N 0 1 267.319 3.520 20 0 CHADMN Cc1csc(C2(NCc3sccc3C)CCC2)n1 ZINC000299560005 263246838 /nfs/dbraw/zinc/24/68/38/263246838.db2.gz FAKQZYVZUJIMJN-UHFFFAOYSA-N 0 1 278.446 3.990 20 0 CHADMN CO[C@@H]([C@@H](C)N[C@@H](C)c1csc(C(C)C)n1)C1CC1 ZINC000453378323 263254977 /nfs/dbraw/zinc/25/49/77/263254977.db2.gz QKDBUPXDXQMCBP-WDMOLILDSA-N 0 1 282.453 3.731 20 0 CHADMN C[C@@H]1C[C@@H]1CN1CCC[C@H]1c1ccc(Br)cn1 ZINC000453611465 263281827 /nfs/dbraw/zinc/28/18/27/263281827.db2.gz KSKFUZZUOLXADD-GYSYKLTISA-N 0 1 295.224 3.637 20 0 CHADMN CCC[C@@H](N[C@H]1COCc2ccccc21)c1cccnc1 ZINC000417367652 263882067 /nfs/dbraw/zinc/88/20/67/263882067.db2.gz QCRJMWXMDUXZDF-MSOLQXFVSA-N 0 1 282.387 3.784 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H]2COCc3ccccc32)s1 ZINC000225995118 264085270 /nfs/dbraw/zinc/08/52/70/264085270.db2.gz LIPMQUKVUSODOV-IUODEOHRSA-N 0 1 273.401 3.979 20 0 CHADMN CS[C@@H]1CC[C@@H]1NCc1nc(C(C)C)c(C)s1 ZINC000425353952 264126731 /nfs/dbraw/zinc/12/67/31/264126731.db2.gz NPKHEZLNUCZKON-WDEREUQCSA-N 0 1 270.467 3.559 20 0 CHADMN CC(C)n1cncc1CN1CCC[C@H](CC(F)(F)F)C1 ZINC000425367378 264211939 /nfs/dbraw/zinc/21/19/39/264211939.db2.gz HUONINGWWKGIAD-GFCCVEGCSA-N 0 1 289.345 3.628 20 0 CHADMN CC(C)(CO)CNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000126530606 264222000 /nfs/dbraw/zinc/22/20/00/264222000.db2.gz OPECRHCHOHUVRU-UHFFFAOYSA-N 0 1 298.308 3.684 20 0 CHADMN CCOC(C)(C)CN[C@H](C)c1csc(C(C)C)n1 ZINC000188687484 264235345 /nfs/dbraw/zinc/23/53/45/264235345.db2.gz HGGQOWXRICLNIU-LLVKDONJSA-N 0 1 270.442 3.732 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc(Cc2ccccc2)no1)[C@H]1CC1(C)C ZINC000425965886 264238386 /nfs/dbraw/zinc/23/83/86/264238386.db2.gz VDVLRVMUWVGTLW-VNHYZAJKSA-N 0 1 299.418 3.746 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccncc2OC)cc1 ZINC000188781229 264242460 /nfs/dbraw/zinc/24/24/60/264242460.db2.gz PQCFUUQTAKOWTN-STQMWFEESA-N 0 1 286.375 3.511 20 0 CHADMN C[C@H]1SCC[N@@H+](Cc2cc(F)cc3cccnc32)[C@@H]1C ZINC000118412010 264273478 /nfs/dbraw/zinc/27/34/78/264273478.db2.gz ZVCKRXOMXVCKRU-VXGBXAGGSA-N 0 1 290.407 3.700 20 0 CHADMN Cc1nc(C)c(CNCc2ccc(Cl)cc2F)s1 ZINC000189192621 264278011 /nfs/dbraw/zinc/27/80/11/264278011.db2.gz ANUZNFDMKMEGCW-UHFFFAOYSA-N 0 1 284.787 3.842 20 0 CHADMN CCCCNCc1csc(COc2ccc(C)cc2)n1 ZINC000073697072 264297458 /nfs/dbraw/zinc/29/74/58/264297458.db2.gz PHJKQUASRZWQKY-UHFFFAOYSA-N 0 1 290.432 3.920 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1N[C@@H](C)c1nc(C(C)C)no1 ZINC000189492936 264302704 /nfs/dbraw/zinc/30/27/04/264302704.db2.gz HNPJCXTUDJQPEH-RWMBFGLXSA-N 0 1 297.468 3.908 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1ccc(Cl)c(C)c1 ZINC000189558645 264307527 /nfs/dbraw/zinc/30/75/27/264307527.db2.gz VKSZXLMHJWARRA-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CO[C@@H](CN(C)[C@@H](C)c1nc2ccccc2s1)C1CC1 ZINC000425428922 264309386 /nfs/dbraw/zinc/30/93/86/264309386.db2.gz XLUBSKVUVRNZPU-FZMZJTMJSA-N 0 1 290.432 3.714 20 0 CHADMN C[C@H](NCCOCC(F)F)c1ccc(Cl)cc1Cl ZINC000189582369 264309834 /nfs/dbraw/zinc/30/98/34/264309834.db2.gz QSTMFQOLFBBVJJ-QMMMGPOBSA-N 0 1 298.160 3.926 20 0 CHADMN C[C@@H](C(=O)Nc1cc(Cl)c(O)cc1F)C1CCC1 ZINC000334500739 264332855 /nfs/dbraw/zinc/33/28/55/264332855.db2.gz UJOQCODLKQSBPO-SSDOTTSWSA-N 0 1 271.719 3.559 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccncc1F)CC2 ZINC000334503218 264346524 /nfs/dbraw/zinc/34/65/24/264346524.db2.gz LWINQJHGLXKVTK-SJKOYZFVSA-N 0 1 270.351 3.867 20 0 CHADMN CC[C@@H](OC1CCCC1)C(=O)Nc1cccc(Cl)c1O ZINC000077012940 264350794 /nfs/dbraw/zinc/35/07/94/264350794.db2.gz NETTXDUHNNJTTM-CYBMUJFWSA-N 0 1 297.782 3.722 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CC3(C)C)n[nH]2)c(C)c1 ZINC000428096062 264365856 /nfs/dbraw/zinc/36/58/56/264365856.db2.gz ZPSVNZXJRNZLQQ-MRXNPFEDSA-N 0 1 297.402 3.564 20 0 CHADMN Cc1ccc2ncc(C[N@@H+]3C[C@@H](C(N)=O)CC[C@H]3C)cc2c1 ZINC000334566854 265051877 /nfs/dbraw/zinc/05/18/77/265051877.db2.gz QWZDIKKBIMWYDC-HIFRSBDPSA-N 0 1 297.402 3.679 20 0 CHADMN CCC[C@@H]1CCCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000349580845 265199061 /nfs/dbraw/zinc/19/90/61/265199061.db2.gz MINVDBKTMJPKSM-CQSZACIVSA-N 0 1 285.391 3.666 20 0 CHADMN CCN(C(=O)c1cc(Cl)c2ccccc2c1O)C1CC1 ZINC000093923806 265200778 /nfs/dbraw/zinc/20/07/78/265200778.db2.gz XOYBMPUVQMLXSR-UHFFFAOYSA-N 0 1 289.762 3.823 20 0 CHADMN CC(C)CN(CCc1ccccc1)CC(=O)OC(C)(C)C ZINC000519054841 265306642 /nfs/dbraw/zinc/30/66/42/265306642.db2.gz CNUKXHQMYRGWRE-UHFFFAOYSA-N 0 1 291.435 3.529 20 0 CHADMN CC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000011829257 265307971 /nfs/dbraw/zinc/30/79/71/265307971.db2.gz MDDALCLQGYKPKR-LBPRGKRZSA-N 0 1 273.332 3.561 20 0 CHADMN CC[C@H](CC(=O)Nc1ccc2nc[nH]c2c1)C(C)C ZINC000519097490 265320221 /nfs/dbraw/zinc/32/02/21/265320221.db2.gz OYTSZPOEKXUEQF-LLVKDONJSA-N 0 1 259.353 3.574 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000519167254 265343116 /nfs/dbraw/zinc/34/31/16/265343116.db2.gz MNHRECXDAPZLIQ-MRXNPFEDSA-N 0 1 279.380 3.688 20 0 CHADMN CCC(CC)CNC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000519162501 265349572 /nfs/dbraw/zinc/34/95/72/265349572.db2.gz QQJCSXIYSQXUGU-QGZVFWFLSA-N 0 1 290.451 3.622 20 0 CHADMN CCc1ccc(CN(C)[C@@H](CC)c2ccncc2)cn1 ZINC000519232516 265371854 /nfs/dbraw/zinc/37/18/54/265371854.db2.gz TVSIYJYAVSNCEW-KRWDZBQOSA-N 0 1 269.392 3.622 20 0 CHADMN Cc1cn[nH]c1CN1CCC[C@H](C)c2ccccc21 ZINC000356294692 266089970 /nfs/dbraw/zinc/08/99/70/266089970.db2.gz AIRDWPAZPMYIKM-LBPRGKRZSA-N 0 1 255.365 3.622 20 0 CHADMN Cc1[nH]ncc1CN1CC[C@H](C)Sc2ccccc21 ZINC000356301944 266092183 /nfs/dbraw/zinc/09/21/83/266092183.db2.gz LFMRTMLEJBBOGS-NSHDSACASA-N 0 1 273.405 3.609 20 0 CHADMN Cc1ccc(F)c(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000356512820 266128903 /nfs/dbraw/zinc/12/89/03/266128903.db2.gz BMSMGAHUUZPIBM-SJORKVTESA-N 0 1 289.394 3.668 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@H](CCCO)c1ccccc1 ZINC000356846819 266187301 /nfs/dbraw/zinc/18/73/01/266187301.db2.gz JBJTVIBHKPAVOK-CRAIPNDOSA-N 0 1 298.430 3.808 20 0 CHADMN Cc1cc(-c2nc(-c3cc4nc[nH]c4c(C)c3)no2)c(C)o1 ZINC000356919993 266211638 /nfs/dbraw/zinc/21/16/38/266211638.db2.gz LAMCKWQPTCMISW-UHFFFAOYSA-N 0 1 294.314 3.798 20 0 CHADMN CCOc1cc(NC(=O)c2cccc3nc[nH]c32)ccc1C ZINC000356932792 266214154 /nfs/dbraw/zinc/21/41/54/266214154.db2.gz ZFSGLHGPUSJPIU-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN Cc1cc(-c2noc(C=Cc3ccco3)n2)cc2nc[nH]c21 ZINC000356941403 266215284 /nfs/dbraw/zinc/21/52/84/266215284.db2.gz VKNUITAAZOYEDV-SNAWJCMRSA-N 0 1 292.298 3.685 20 0 CHADMN C(=Cc1nc(-c2ccc3[nH]cnc3c2)no1)c1ccsc1 ZINC000356974286 266221663 /nfs/dbraw/zinc/22/16/63/266221663.db2.gz YVCZQZRVOGYXLB-RJRFIUFISA-N 0 1 294.339 3.845 20 0 CHADMN C[C@@H](c1ccsc1)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000356979699 266224200 /nfs/dbraw/zinc/22/42/00/266224200.db2.gz FMMYOJPSOJBXBD-VIFPVBQESA-N 0 1 296.355 3.826 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(Cl)c(C)c2)n1 ZINC000356987222 266225880 /nfs/dbraw/zinc/22/58/80/266225880.db2.gz JOYZNQPSOVQZPJ-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CSCCN(C)Cc1ccc(Oc2ccccc2)o1 ZINC000356996810 266227042 /nfs/dbraw/zinc/22/70/42/266227042.db2.gz QUMNLRQOQBNROK-UHFFFAOYSA-N 0 1 277.389 3.867 20 0 CHADMN CC[C@H](C)c1cc(C(=O)Nc2ccc3nc(C)[nH]c3c2)on1 ZINC000357036205 266236829 /nfs/dbraw/zinc/23/68/29/266236829.db2.gz WXJUNSIVDYBIKJ-VIFPVBQESA-N 0 1 298.346 3.625 20 0 CHADMN Cc1cc(Cl)cc(C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000357077814 266243703 /nfs/dbraw/zinc/24/37/03/266243703.db2.gz OHPHPZYOLJMVEO-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN CSc1cc(CNCc2cccc(Cl)c2)ccn1 ZINC000357341743 266280425 /nfs/dbraw/zinc/28/04/25/266280425.db2.gz CRCQIEIUMRUDJR-UHFFFAOYSA-N 0 1 278.808 3.747 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H](C)CC(C)(C)C)c1 ZINC000357450851 266298463 /nfs/dbraw/zinc/29/84/63/266298463.db2.gz HROLASLMLNGLRX-JTQLQIEISA-N 0 1 277.364 3.606 20 0 CHADMN CCCc1nc(CN2CCC[C@@H](C)[C@H]2C)cs1 ZINC000357717325 266350885 /nfs/dbraw/zinc/35/08/85/266350885.db2.gz QFDOBMGLAFZZGY-VXGBXAGGSA-N 0 1 252.427 3.716 20 0 CHADMN Cc1ccc(-c2nnc(CN3CCC[C@H](C)[C@H]3C)o2)cc1 ZINC000357737605 266352734 /nfs/dbraw/zinc/35/27/34/266352734.db2.gz XMDLQKSHBRJKDO-UONOGXRCSA-N 0 1 285.391 3.665 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@@H](c3ccccc3)[C@H](C)C2)o1 ZINC000357769041 266358540 /nfs/dbraw/zinc/35/85/40/266358540.db2.gz ZXUUTXTWYUADSU-IJEWVQPXSA-N 0 1 299.418 3.819 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccc(C3CC3)cc1)CO2 ZINC000357781461 266359531 /nfs/dbraw/zinc/35/95/31/266359531.db2.gz AHSOAPVUZVQBJH-KRWDZBQOSA-N 0 1 283.346 3.926 20 0 CHADMN Fc1ccc(-c2cc(CN3CCC34CCC4)on2)cc1 ZINC000357937452 266386857 /nfs/dbraw/zinc/38/68/57/266386857.db2.gz WQYCZURHWDKWJD-UHFFFAOYSA-N 0 1 272.323 3.609 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2ccncc2CC)s1 ZINC000358506306 266471152 /nfs/dbraw/zinc/47/11/52/266471152.db2.gz LTOOOJLMXDXESH-NSHDSACASA-N 0 1 275.421 3.514 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1cncc(F)c1)CC2 ZINC000359246717 266554511 /nfs/dbraw/zinc/55/45/11/266554511.db2.gz TUHINSXGMQPESR-GTNSWQLSSA-N 0 1 286.350 3.567 20 0 CHADMN C/C=C/c1ccc(NC(=O)c2cccc3nc[nH]c32)cc1 ZINC000360316202 266704480 /nfs/dbraw/zinc/70/44/80/266704480.db2.gz GBFGMAYCFGPSHC-DUXPYHPUSA-N 0 1 277.327 3.848 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H](C)c1ccsc1 ZINC000360414700 266713959 /nfs/dbraw/zinc/71/39/59/266713959.db2.gz SCJAWTLXEBDNKO-JTQLQIEISA-N 0 1 285.372 3.675 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cc(F)ccc1OC ZINC000361132129 266789482 /nfs/dbraw/zinc/78/94/82/266789482.db2.gz NSSHWWLLYRPYCR-LBPRGKRZSA-N 0 1 288.366 3.643 20 0 CHADMN CN(Cc1ccoc1)Cc1ccc(OCC2CC2)cc1 ZINC000361546844 266844504 /nfs/dbraw/zinc/84/45/04/266844504.db2.gz CZJKOXWEXRYUQP-UHFFFAOYSA-N 0 1 271.360 3.700 20 0 CHADMN Cc1c2ccccc2oc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000361601526 266857678 /nfs/dbraw/zinc/85/76/78/266857678.db2.gz MVVIEPJVSMKPNK-LBPRGKRZSA-N 0 1 285.347 3.837 20 0 CHADMN CCC[C@@H](CN1CCC[C@@H]1c1ncon1)c1ccccc1 ZINC000362041828 266921568 /nfs/dbraw/zinc/92/15/68/266921568.db2.gz AOLRJVIKVXBTRB-JKSUJKDBSA-N 0 1 285.391 3.790 20 0 CHADMN c1cc(CN2C[C@@H]3CCCC[C@]32c2ccccc2)on1 ZINC000362200811 266945558 /nfs/dbraw/zinc/94/55/58/266945558.db2.gz TZQFCKGCJNUSJK-RDJZCZTQSA-N 0 1 268.360 3.576 20 0 CHADMN Fc1cc(Cl)cc(CNCc2ccc3c(c2)COC3)c1 ZINC000362525822 267000806 /nfs/dbraw/zinc/00/08/06/267000806.db2.gz OWDFCFGWTAMEHH-UHFFFAOYSA-N 0 1 291.753 3.799 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)Nc2cccc(F)c2C)c1 ZINC000362692255 267036813 /nfs/dbraw/zinc/03/68/13/267036813.db2.gz XLIVZFIUHOQJJE-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN COC(=O)c1ccc(CN[C@H](C)c2ccc(C3CC3)cc2)o1 ZINC000418113701 267056682 /nfs/dbraw/zinc/05/66/82/267056682.db2.gz JQROYOMNLHAPQC-GFCCVEGCSA-N 0 1 299.370 3.794 20 0 CHADMN CC(C)(C)OCc1cc(CNC2CCC3(CC3)CC2)no1 ZINC000362927785 267062596 /nfs/dbraw/zinc/06/25/96/267062596.db2.gz LIPVKCDNGUWPNT-UHFFFAOYSA-N 0 1 292.423 3.802 20 0 CHADMN CC(C)CCN(CCC(C)C)Cc1nnc2n1CCCC2 ZINC000362960616 267067060 /nfs/dbraw/zinc/06/70/60/267067060.db2.gz PZKNJOPPHUYFOA-UHFFFAOYSA-N 0 1 292.471 3.509 20 0 CHADMN O=C(C/C=C\c1cccc(F)c1)Nc1ccc2nc[nH]c2c1 ZINC000362995970 267071790 /nfs/dbraw/zinc/07/17/90/267071790.db2.gz GLHKXNNLEXCJBQ-RQOWECAXSA-N 0 1 295.317 3.744 20 0 CHADMN C[C@@H](NCc1ccc(-c2ccncc2)cc1)c1ccccn1 ZINC000363152330 267077269 /nfs/dbraw/zinc/07/72/69/267077269.db2.gz URUMOEWVWOUXIB-OAHLLOKOSA-N 0 1 289.382 3.994 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cc(C)c(O)c(C)c1)CO2 ZINC000368020756 267135368 /nfs/dbraw/zinc/13/53/68/267135368.db2.gz WXLFOLFBTILTLA-MRXNPFEDSA-N 0 1 283.371 3.541 20 0 CHADMN Cc1cc([C@H](C)NC[C@H]2CCCN(c3ccccc3)C2)no1 ZINC000368060019 267143950 /nfs/dbraw/zinc/14/39/50/267143950.db2.gz ZKZRKOOAHCAMTM-JKSUJKDBSA-N 0 1 299.418 3.550 20 0 CHADMN Cc1c[nH]nc1CN[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000368082483 267144894 /nfs/dbraw/zinc/14/48/94/267144894.db2.gz WDSXQXFHKBQSOP-CQSZACIVSA-N 0 1 292.386 3.631 20 0 CHADMN CC[C@H](C)N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000368356697 267164900 /nfs/dbraw/zinc/16/49/00/267164900.db2.gz CVZQSNJYECHZDP-XHDPSFHLSA-N 0 1 277.799 3.551 20 0 CHADMN Fc1ccccc1-c1cnc(CN2C[C@H]3CCCC[C@H]32)o1 ZINC000368682849 267197320 /nfs/dbraw/zinc/19/73/20/267197320.db2.gz LYKKRXCATHDVCI-IUODEOHRSA-N 0 1 286.350 3.855 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000368756616 267201594 /nfs/dbraw/zinc/20/15/94/267201594.db2.gz SDHNFFMOEHJIQS-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1nn(C(C)C)cc1CN1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000369206417 267226350 /nfs/dbraw/zinc/22/63/50/267226350.db2.gz VMQPTTPLVGXXTO-KBXCAEBGSA-N 0 1 298.434 3.751 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CCC[C@@H]2C2CC2)s1 ZINC000369438983 267242462 /nfs/dbraw/zinc/24/24/62/267242462.db2.gz NLQIJPMBJBXDGY-SNVBAGLBSA-N 0 1 290.354 3.845 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CCC[C@H]2C2CC2)s1 ZINC000369438982 267243167 /nfs/dbraw/zinc/24/31/67/267243167.db2.gz NLQIJPMBJBXDGY-JTQLQIEISA-N 0 1 290.354 3.845 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2ccc(C3CC3)cc2)cn1 ZINC000418118938 267261994 /nfs/dbraw/zinc/26/19/94/267261994.db2.gz WRLIZECBRNWSIY-ZDUSSCGKSA-N 0 1 281.403 3.767 20 0 CHADMN CCOc1ccc(CN2CCCC[C@H]2c2ccnn2C)cc1 ZINC000370202387 267297862 /nfs/dbraw/zinc/29/78/62/267297862.db2.gz UWKZQSMBGDQMFU-SFHVURJKSA-N 0 1 299.418 3.546 20 0 CHADMN c1cc([C@@H]2CN(c3ccnc4ccccc43)CCO2)cs1 ZINC000370442011 267319765 /nfs/dbraw/zinc/31/97/65/267319765.db2.gz QSNFMUNLOCMSPF-KRWDZBQOSA-N 0 1 296.395 3.874 20 0 CHADMN Cc1cc(C)n2c(CN(C)[C@H](C)c3ccccc3)cnc2n1 ZINC000119377108 267325936 /nfs/dbraw/zinc/32/59/36/267325936.db2.gz OQJVCSWTLYIIIW-OAHLLOKOSA-N 0 1 294.402 3.539 20 0 CHADMN CCN(Cc1cnn(C(C)(C)C)c1)Cc1cccc(F)c1 ZINC000120022562 267352651 /nfs/dbraw/zinc/35/26/51/267352651.db2.gz PGHWQIYCMWKEHD-UHFFFAOYSA-N 0 1 289.398 3.799 20 0 CHADMN CC(C)c1nc(CN2C[C@H](C)[C@H](C)[C@H]2C)cs1 ZINC000418134014 267359883 /nfs/dbraw/zinc/35/98/83/267359883.db2.gz OKPMLLXWZHPZSQ-SDDRHHMPSA-N 0 1 252.427 3.743 20 0 CHADMN CC[C@H]1C[C@]1(NCc1cncn1CC)c1cccc(C)c1 ZINC000418143664 267365615 /nfs/dbraw/zinc/36/56/15/267365615.db2.gz MMQPIWXHSRWMBP-MAUKXSAKSA-N 0 1 283.419 3.626 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N2CCC3(CC3)CC2)c(C)c1 ZINC000371333842 267392119 /nfs/dbraw/zinc/39/21/19/267392119.db2.gz FGMXDLDISLTRCJ-OAHLLOKOSA-N 0 1 286.419 3.506 20 0 CHADMN Clc1ccccc1CN1CCC(OCC2CC2)CC1 ZINC000374130089 267752436 /nfs/dbraw/zinc/75/24/36/267752436.db2.gz JJYVLJVXCXNTOX-UHFFFAOYSA-N 0 1 279.811 3.731 20 0 CHADMN Cc1ccc(CN(C)CCOc2cccc(Cl)c2)cn1 ZINC000121928288 267778896 /nfs/dbraw/zinc/77/88/96/267778896.db2.gz HSSQRWBSZSFBBB-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN Cc1nnc([C@H](C)N2CCCC3(CCCCC3)C2)s1 ZINC000374796720 267813974 /nfs/dbraw/zinc/81/39/74/267813974.db2.gz VRTHLFBCNFXCTA-LBPRGKRZSA-N 0 1 279.453 3.954 20 0 CHADMN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C)[nH]n1 ZINC000123104852 268000136 /nfs/dbraw/zinc/00/01/36/268000136.db2.gz SNKXSFWGOVBDNZ-WBVHZDCISA-N 0 1 297.402 3.517 20 0 CHADMN CC(C)n1ccc(CN2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000172016453 335088919 /nfs/dbraw/zinc/08/89/19/335088919.db2.gz FFUMMCCSBCTAAN-KRWDZBQOSA-N 0 1 273.424 3.786 20 0 CHADMN Oc1cccc(CN[C@H]2CCc3sc(Cl)cc32)c1 ZINC000334354902 327671278 /nfs/dbraw/zinc/67/12/78/327671278.db2.gz JZVQQPDZXYCOBX-LBPRGKRZSA-N 0 1 279.792 3.884 20 0 CHADMN CCCc1nc(C)c(CNCc2cccc(CC)c2)o1 ZINC000580199204 327729792 /nfs/dbraw/zinc/72/97/92/327729792.db2.gz CZZIQETWHQZRHQ-UHFFFAOYSA-N 0 1 272.392 3.788 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccccc2N(C)C)c(C)o1 ZINC000171132992 327752096 /nfs/dbraw/zinc/75/20/96/327752096.db2.gz ZIYQCZNFRVJUAJ-CYBMUJFWSA-N 0 1 272.392 3.813 20 0 CHADMN Cc1noc(C[C@H](N[C@H](C)c2ccoc2)c2ccccc2)n1 ZINC000580273272 327755062 /nfs/dbraw/zinc/75/50/62/327755062.db2.gz YWKJQNALPWZFNM-WBMJQRKESA-N 0 1 297.358 3.606 20 0 CHADMN CO[C@H](CNCc1c(Cl)cccc1Cl)C1CC1 ZINC000378829397 327759671 /nfs/dbraw/zinc/75/96/71/327759671.db2.gz RAEJAJAUWUNHKH-CYBMUJFWSA-N 0 1 274.191 3.508 20 0 CHADMN Cc1noc([C@@H](C)N[C@H](C)CCc2ccc(Cl)s2)n1 ZINC000361610860 328926415 /nfs/dbraw/zinc/92/64/15/328926415.db2.gz OPGDQUTXPUXMPE-RKDXNWHRSA-N 0 1 299.827 3.765 20 0 CHADMN CC(C)Cn1cc(CNCc2ccc(C(F)F)cc2)cn1 ZINC000185180783 327837255 /nfs/dbraw/zinc/83/72/55/327837255.db2.gz YOCFPAZRSSQODE-UHFFFAOYSA-N 0 1 293.361 3.767 20 0 CHADMN Fc1cccc(-c2cnc(CN3C4CCC3CC4)o2)c1 ZINC000531342589 327900614 /nfs/dbraw/zinc/90/06/14/327900614.db2.gz LBWMOCWGOGAFDY-UHFFFAOYSA-N 0 1 272.323 3.608 20 0 CHADMN CC(C)OC1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000531403832 327903547 /nfs/dbraw/zinc/90/35/47/327903547.db2.gz VMLWYPHOSRQYGF-LBPRGKRZSA-N 0 1 283.362 3.915 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CCC2(CCCC2)CC1 ZINC000062959692 327904134 /nfs/dbraw/zinc/90/41/34/327904134.db2.gz MYUXCOHQBURFME-UHFFFAOYSA-N 0 1 293.794 3.842 20 0 CHADMN COCCN(Cc1ccc(C(C)C)cc1)Cc1cccnc1 ZINC000339290591 328004191 /nfs/dbraw/zinc/00/41/91/328004191.db2.gz JPLAHUFOHFKBSN-UHFFFAOYSA-N 0 1 298.430 3.854 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCCCC(=O)[O-] ZINC000563285126 328008629 /nfs/dbraw/zinc/00/86/29/328008629.db2.gz XTILKHXXCKNKAD-ZBFHGGJFSA-N 0 1 275.392 3.509 20 0 CHADMN C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1csc(C(=O)[O-])c1 ZINC000563278111 328006568 /nfs/dbraw/zinc/00/65/68/328006568.db2.gz ORMYXEPLJCVKRK-JTQLQIEISA-N 0 1 293.363 3.778 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000563277905 328006660 /nfs/dbraw/zinc/00/66/60/328006660.db2.gz PCTUQUJGWJFASR-OAHLLOKOSA-N 0 1 285.343 3.623 20 0 CHADMN C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1csc(C(=O)[O-])c1 ZINC000563278112 328006732 /nfs/dbraw/zinc/00/67/32/328006732.db2.gz ORMYXEPLJCVKRK-SNVBAGLBSA-N 0 1 293.363 3.778 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000563276850 328006793 /nfs/dbraw/zinc/00/67/93/328006793.db2.gz DQHBVTQIKVBEMV-IRXDYDNUSA-N 0 1 289.419 3.755 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])s2)o1 ZINC000563277220 328006912 /nfs/dbraw/zinc/00/69/12/328006912.db2.gz KZDCYQPMFMUYKC-LBPRGKRZSA-N 0 1 291.372 3.685 20 0 CHADMN Cc1cc([C@@H](C)[N@@H+](C)Cc2ccc(C)cc2)oc1C(=O)[O-] ZINC000563279365 328007080 /nfs/dbraw/zinc/00/70/80/328007080.db2.gz SEKYKPRHOKCKOV-CYBMUJFWSA-N 0 1 287.359 3.788 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@H](C)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000563282081 328007399 /nfs/dbraw/zinc/00/73/99/328007399.db2.gz MPCLPMWURMFPPL-DGCLKSJQSA-N 0 1 279.380 3.859 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(C2CCCC2)cc1 ZINC000563282733 328007679 /nfs/dbraw/zinc/00/76/79/328007679.db2.gz LRYCVMOGVJMYJD-UHFFFAOYSA-N 0 1 275.392 3.641 20 0 CHADMN CC(C)CN(Cc1nc(C(C)(C)C)no1)CC(C)(C)C ZINC000531634793 328020008 /nfs/dbraw/zinc/02/00/08/328020008.db2.gz HSSOPKLTKSXLEY-UHFFFAOYSA-N 0 1 281.444 3.871 20 0 CHADMN Cc1ccccc1[C@@H](CO)N[C@@H]1CC(C)(C)Cc2occc21 ZINC000531737048 328028997 /nfs/dbraw/zinc/02/89/97/328028997.db2.gz BCKRUSANCIBRJP-IAGOWNOFSA-N 0 1 299.414 3.925 20 0 CHADMN C[N@@H+](CCSc1ccc(Cl)cc1)[C@H]1CCSC1 ZINC000534099757 328034663 /nfs/dbraw/zinc/03/46/63/328034663.db2.gz AKNFMJVVAVXWJZ-LBPRGKRZSA-N 0 1 287.881 3.869 20 0 CHADMN C[N@@H+](CCSc1ccc(Cl)cc1)[C@@H]1CCSC1 ZINC000534099756 328034831 /nfs/dbraw/zinc/03/48/31/328034831.db2.gz AKNFMJVVAVXWJZ-GFCCVEGCSA-N 0 1 287.881 3.869 20 0 CHADMN CC(C)N(Cc1cc(F)cc(F)c1)Cc1ccccn1 ZINC000534347183 328047222 /nfs/dbraw/zinc/04/72/22/328047222.db2.gz SJEIUCBYXNGBHT-UHFFFAOYSA-N 0 1 276.330 3.770 20 0 CHADMN CCc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)s1 ZINC000563362127 328059046 /nfs/dbraw/zinc/05/90/46/328059046.db2.gz KCVQICNXJRNIOH-YOEHRIQHSA-N 0 1 287.428 3.618 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccccc2)cc1F ZINC000563453755 328067453 /nfs/dbraw/zinc/06/74/53/328067453.db2.gz NHLQQVZRJIFFDH-KRWDZBQOSA-N 0 1 299.345 3.861 20 0 CHADMN CC(C)O[C@@H]1CCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000563532638 328072089 /nfs/dbraw/zinc/07/20/89/328072089.db2.gz KQEJTAGVVPOLPP-DGCLKSJQSA-N 0 1 269.335 3.525 20 0 CHADMN CC[N@@H+](CCCCCC(=O)[O-])Cc1c[nH]c2ccccc12 ZINC000563543339 328072566 /nfs/dbraw/zinc/07/25/66/328072566.db2.gz SXWSVVRAIZSCDO-UHFFFAOYSA-N 0 1 288.391 3.635 20 0 CHADMN CC(=O)c1cc(CN2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)on1 ZINC000565171297 328074987 /nfs/dbraw/zinc/07/49/87/328074987.db2.gz LFBJJIHPDQWNCM-PBFPGSCMSA-N 0 1 298.386 3.644 20 0 CHADMN CC1(C)C[C@@H](N[C@H](CO)c2cccc(F)c2)c2ccccc21 ZINC000571112981 328086591 /nfs/dbraw/zinc/08/65/91/328086591.db2.gz VEKMORAGGZWHOG-QZTJIDSGSA-N 0 1 299.389 3.871 20 0 CHADMN Cc1ccccc1-c1nc(CNC2CCC3(CC3)CC2)no1 ZINC000571139587 328088505 /nfs/dbraw/zinc/08/85/05/328088505.db2.gz RHEHKRDTYIPFSL-UHFFFAOYSA-N 0 1 297.402 3.857 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1ccccc1F ZINC000571152666 328088678 /nfs/dbraw/zinc/08/86/78/328088678.db2.gz OICSOHMNRLZEBU-CYBMUJFWSA-N 0 1 255.336 3.945 20 0 CHADMN CC[C@H](N[C@H]1CC(C)(C)c2ccccc21)c1ccn(C)n1 ZINC000541740649 328101994 /nfs/dbraw/zinc/10/19/94/328101994.db2.gz ACBZNGJSSOOGEM-RDJZCZTQSA-N 0 1 283.419 3.883 20 0 CHADMN O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000571423808 328120956 /nfs/dbraw/zinc/12/09/56/328120956.db2.gz JWZFPBCYXJJHDD-IACUBPJLSA-N 0 1 298.390 3.503 20 0 CHADMN Fc1ccc(CN[C@@H]2CCC[C@@H]2F)c(C(F)(F)F)c1 ZINC000571415316 328121077 /nfs/dbraw/zinc/12/10/77/328121077.db2.gz BMQITUYWMISZMZ-NWDGAFQWSA-N 0 1 279.252 3.825 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1cc(Cl)ccc1F ZINC000571463627 328123696 /nfs/dbraw/zinc/12/36/96/328123696.db2.gz FDMJIQIWNLFOIG-NRUUGDAUSA-N 0 1 299.773 3.553 20 0 CHADMN CC(C)[N@@H+](Cc1ccccc1C(=O)[O-])C1CCCC1 ZINC000571529790 328131991 /nfs/dbraw/zinc/13/19/91/328131991.db2.gz XNWXWBRZWVRNAH-UHFFFAOYSA-N 0 1 261.365 3.538 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)c1 ZINC000571571797 328134532 /nfs/dbraw/zinc/13/45/32/328134532.db2.gz WZIOXACFPYBDLU-OAHLLOKOSA-N 0 1 299.370 3.748 20 0 CHADMN CC[C@H](c1ccccc1OC)N(C)Cc1cccnc1C ZINC000571602527 328136716 /nfs/dbraw/zinc/13/67/16/328136716.db2.gz HNJDLAJIEUBZLN-QGZVFWFLSA-N 0 1 284.403 3.982 20 0 CHADMN COCC(C)(C)[N@@H+](C)Cc1cc2cc(C)c(C)cc2o1 ZINC000430127033 328136922 /nfs/dbraw/zinc/13/69/22/328136922.db2.gz QUQLPPRILDGMEF-UHFFFAOYSA-N 0 1 275.392 3.906 20 0 CHADMN COc1cccc2c1CCC[C@H]2NCc1cnc(C2CC2)o1 ZINC000571614437 328137766 /nfs/dbraw/zinc/13/77/66/328137766.db2.gz XGPKGDAREMZOLP-MRXNPFEDSA-N 0 1 298.386 3.728 20 0 CHADMN COc1ccc(CS[C@H](C)c2n[nH]c(C)n2)cc1Cl ZINC000413008891 328139209 /nfs/dbraw/zinc/13/92/09/328139209.db2.gz ZJZXXHKIXKTGAA-MRVPVSSYSA-N 0 1 297.811 3.770 20 0 CHADMN Cc1ccc([C@@H](N[C@H](C)c2cc3n(n2)CCC3)C2CC2)cc1 ZINC000414064558 328152728 /nfs/dbraw/zinc/15/27/28/328152728.db2.gz NKTXTKVKTHHTRT-AUUYWEPGSA-N 0 1 295.430 3.940 20 0 CHADMN CN(Cc1ccc(Cl)s1)[C@H](CO)c1ccccc1 ZINC000264002191 328156642 /nfs/dbraw/zinc/15/66/42/328156642.db2.gz GCRWAPLMUFYUOI-CYBMUJFWSA-N 0 1 281.808 3.567 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cnc(C)nc2C)cc1 ZINC000269017825 328188643 /nfs/dbraw/zinc/18/86/43/328188643.db2.gz OXZMYTMYNDWRKL-VXGBXAGGSA-N 0 1 285.391 3.514 20 0 CHADMN NC1(c2noc([C@H](F)CC3CCCCC3)n2)CCCC1 ZINC000414620566 328204446 /nfs/dbraw/zinc/20/44/46/328204446.db2.gz QBYOXPCQNNTHEY-GFCCVEGCSA-N 0 1 281.375 3.779 20 0 CHADMN Clc1cc(CN2CCS[C@@H]3CCCC[C@@H]32)ccn1 ZINC000177202822 329182027 /nfs/dbraw/zinc/18/20/27/329182027.db2.gz MGDUFTCLWLFALO-QWHCGFSZSA-N 0 1 282.840 3.595 20 0 CHADMN CCC(CC)N(Cc1noc(C2CC2)n1)CC(C)C ZINC000177866363 329193418 /nfs/dbraw/zinc/19/34/18/329193418.db2.gz OGDRLSPJDAETKU-UHFFFAOYSA-N 0 1 265.401 3.594 20 0 CHADMN CSCCN(C)Cc1cnc(-c2ccccc2)s1 ZINC000178506889 329197747 /nfs/dbraw/zinc/19/77/47/329197747.db2.gz RQYFCVJMVDEAMA-UHFFFAOYSA-N 0 1 278.446 3.605 20 0 CHADMN C[C@@H](NC1CC1)c1csc(-c2ccccc2F)n1 ZINC000291319418 328263090 /nfs/dbraw/zinc/26/30/90/328263090.db2.gz UOSSAYOFCYHINX-SECBINFHSA-N 0 1 262.353 3.762 20 0 CHADMN COc1ccc([C@@H](C)NCc2occc2C)cc1C ZINC000293603587 328276992 /nfs/dbraw/zinc/27/69/92/328276992.db2.gz IXGABUNLMMBLLQ-CYBMUJFWSA-N 0 1 259.349 3.756 20 0 CHADMN FC(F)(F)c1cccc(CN[C@H]2CCc3ccccc32)n1 ZINC000294711734 328282832 /nfs/dbraw/zinc/28/28/32/328282832.db2.gz DTCYROCSATZXAW-AWEZNQCLSA-N 0 1 292.304 3.878 20 0 CHADMN CCn1cc([C@@H](C)N[C@@H](C)c2cc(F)cc(F)c2)cn1 ZINC000296076616 328288958 /nfs/dbraw/zinc/28/89/58/328288958.db2.gz WZFKCSUYXGOKOL-WDEREUQCSA-N 0 1 279.334 3.593 20 0 CHADMN CCN(Cc1csc(-c2ccco2)n1)C(C)C ZINC000194095243 328290839 /nfs/dbraw/zinc/29/08/39/328290839.db2.gz XJRPHKWWAJHSII-UHFFFAOYSA-N 0 1 250.367 3.633 20 0 CHADMN Cc1cc(C)cc(N(C)C(=O)c2ccc(Cl)cc2O)c1 ZINC000048443143 328313147 /nfs/dbraw/zinc/31/31/47/328313147.db2.gz SAOVCOPPIDEFMA-UHFFFAOYSA-N 0 1 289.762 3.939 20 0 CHADMN Clc1cccc(CN2CCN([C@H]3C=CCCC3)CC2)c1 ZINC000110934260 328319641 /nfs/dbraw/zinc/31/96/41/328319641.db2.gz VDEJQXLNEBOQNX-KRWDZBQOSA-N 0 1 290.838 3.566 20 0 CHADMN CC(C)CC[N@@H+](CC(=O)N(C)CC1CCCCC1)C1CC1 ZINC000302971751 328319678 /nfs/dbraw/zinc/31/96/78/328319678.db2.gz OENNBXJDHNKUDR-UHFFFAOYSA-N 0 1 294.483 3.536 20 0 CHADMN C[C@@H](NCC(=O)Nc1ccccc1)c1ccc(Cl)s1 ZINC000049129524 328341594 /nfs/dbraw/zinc/34/15/94/328341594.db2.gz NQFDOMSZIDYGPM-SNVBAGLBSA-N 0 1 294.807 3.691 20 0 CHADMN Cc1cc(CNCc2cc(F)ccc2F)c(C)s1 ZINC000111405231 328354322 /nfs/dbraw/zinc/35/43/22/328354322.db2.gz UDVBPYFVTYQOTE-UHFFFAOYSA-N 0 1 267.344 3.933 20 0 CHADMN CCCN(C)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000049480463 328364630 /nfs/dbraw/zinc/36/46/30/328364630.db2.gz OCRAQKDMVOUCSE-VIFPVBQESA-N 0 1 289.206 3.662 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2ccc(Cl)cc2Cl)C[C@@H]1O ZINC000534862459 328365681 /nfs/dbraw/zinc/36/56/81/328365681.db2.gz JGSKAPJRSLAEII-RULNRJAQSA-N 0 1 288.218 3.757 20 0 CHADMN CCc1cc(CN[C@H](C)c2ccc3c(c2)CCC3)on1 ZINC000531976888 328369555 /nfs/dbraw/zinc/36/95/55/328369555.db2.gz JMWHQLPJNMERKI-GFCCVEGCSA-N 0 1 270.376 3.577 20 0 CHADMN Cc1cccc2nc(CNC(=O)C[C@H]3CCCC[C@@H]3C)[nH]c21 ZINC000535029589 328377262 /nfs/dbraw/zinc/37/72/62/328377262.db2.gz BFQCGDIYZSHOLG-GXTWGEPZSA-N 0 1 299.418 3.704 20 0 CHADMN C[C@H](CN[C@H](C)c1cscn1)Oc1ccc(Cl)cc1 ZINC000535063542 328382125 /nfs/dbraw/zinc/38/21/25/328382125.db2.gz AECGGVGTESJYMN-GHMZBOCLSA-N 0 1 296.823 3.915 20 0 CHADMN CCN(CCN[C@@H](C)c1cscn1)c1ccccc1C ZINC000535063785 328382147 /nfs/dbraw/zinc/38/21/47/328382147.db2.gz DYCHTOAKCGQTIQ-AWEZNQCLSA-N 0 1 289.448 3.629 20 0 CHADMN Fc1ccc(CNCc2cccc3cccnc32)c(F)c1 ZINC000050165524 328387899 /nfs/dbraw/zinc/38/78/99/328387899.db2.gz YLUPPNHCYIVYRO-UHFFFAOYSA-N 0 1 284.309 3.803 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1ncc(CC)o1 ZINC000532013609 328391853 /nfs/dbraw/zinc/39/18/53/328391853.db2.gz RDCQSVUMGOIFAF-CYBMUJFWSA-N 0 1 250.386 3.782 20 0 CHADMN CO[C@H](C)CN(Cc1nc(C(C)(C)C)cs1)C(C)C ZINC000532037217 328398599 /nfs/dbraw/zinc/39/85/99/328398599.db2.gz XHHMOUXIIWHXJR-GFCCVEGCSA-N 0 1 284.469 3.686 20 0 CHADMN CC1(C)Cc2occc2[C@H](NCc2ccccc2CO)C1 ZINC000305113848 328394148 /nfs/dbraw/zinc/39/41/48/328394148.db2.gz HBQOEPGWQMAQFF-MRXNPFEDSA-N 0 1 285.387 3.575 20 0 CHADMN C[C@@H](O)[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000305159751 328394445 /nfs/dbraw/zinc/39/44/45/328394445.db2.gz DWVXKIMEYNKADS-ZYHUDNBSSA-N 0 1 288.218 3.586 20 0 CHADMN C[C@@H](O)[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000305159750 328394509 /nfs/dbraw/zinc/39/45/09/328394509.db2.gz DWVXKIMEYNKADS-PWSUYJOCSA-N 0 1 288.218 3.586 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C2(Cc3ccccc3)CCC2)n1 ZINC000342020533 328416125 /nfs/dbraw/zinc/41/61/25/328416125.db2.gz IDQMGQVQBMWQSX-OAHLLOKOSA-N 0 1 299.418 3.780 20 0 CHADMN Cc1ccc(CN[C@H](c2ccccc2F)[C@@H](C)O)c(C)c1 ZINC000575321875 335093349 /nfs/dbraw/zinc/09/33/49/335093349.db2.gz MJZYSPWJVLUTHD-KDOFPFPSSA-N 0 1 287.378 3.654 20 0 CHADMN C[C@H](NCCOCC(F)(F)F)c1ccc(F)cc1Cl ZINC000108942827 326810491 /nfs/dbraw/zinc/81/04/91/326810491.db2.gz GCVHLWXRQYMIJY-QMMMGPOBSA-N 0 1 299.695 3.709 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000036921748 326831248 /nfs/dbraw/zinc/83/12/48/326831248.db2.gz PPUNXMFMCOJOFR-GFCCVEGCSA-N 0 1 288.391 3.929 20 0 CHADMN CC(C)C[C@@H]1CCC[C@H](N[C@@H](C)c2csnn2)C1 ZINC000398251199 326876454 /nfs/dbraw/zinc/87/64/54/326876454.db2.gz ACSLJRUHLSMRJX-AVGNSLFASA-N 0 1 267.442 3.794 20 0 CHADMN COc1ccc(Cl)cc1CN1CCC(OC(C)C)CC1 ZINC000530686966 326886123 /nfs/dbraw/zinc/88/61/23/326886123.db2.gz NOTIAOABEYCGFO-UHFFFAOYSA-N 0 1 297.826 3.738 20 0 CHADMN CC1(C)C[C@@H](NCCF)c2cc(Br)ccc21 ZINC000309754895 326940966 /nfs/dbraw/zinc/94/09/66/326940966.db2.gz HJHITSBGAGVJBS-GFCCVEGCSA-N 0 1 286.188 3.731 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@H](C)c1ccc2ncsc2c1 ZINC000568236224 326974691 /nfs/dbraw/zinc/97/46/91/326974691.db2.gz DYQZVSCDHNKOKE-ZYHUDNBSSA-N 0 1 298.415 3.807 20 0 CHADMN CCC(CC)[N@@H+](Cc1csc(C(=O)[O-])c1)C1CC1 ZINC000565780462 327011021 /nfs/dbraw/zinc/01/10/21/327011021.db2.gz XQGFVAVJFSTVSF-UHFFFAOYSA-N 0 1 267.394 3.599 20 0 CHADMN Cc1cc(F)ccc1CN1CCC(F)(F)[C@@H](C)C1 ZINC000557532013 327011913 /nfs/dbraw/zinc/01/19/13/327011913.db2.gz UAOBMFPEWHIPPL-NSHDSACASA-N 0 1 257.299 3.611 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@@H]1CC[C@@H]1C ZINC000557753037 327024904 /nfs/dbraw/zinc/02/49/04/327024904.db2.gz INYQCIDZDDEBRK-JOYOIKCWSA-N 0 1 260.312 3.593 20 0 CHADMN COc1ccc(CNC/C=C/c2ccccc2)c(F)c1 ZINC000557831316 327029961 /nfs/dbraw/zinc/02/99/61/327029961.db2.gz YEZGDTOJGIFRCN-VMPITWQZSA-N 0 1 271.335 3.637 20 0 CHADMN CCC[N@@H+](Cc1cnc(-c2ccccn2)s1)C(C)C ZINC000569139665 327038353 /nfs/dbraw/zinc/03/83/53/327038353.db2.gz QARALQVRUTVXMN-UHFFFAOYSA-N 0 1 275.421 3.826 20 0 CHADMN CC(C)(C)OC(=O)CCN1CC(C)(C)[C@H]1c1cccs1 ZINC000558177817 327077792 /nfs/dbraw/zinc/07/77/92/327077792.db2.gz YRJDSXRKWQZMMB-CQSZACIVSA-N 0 1 295.448 3.863 20 0 CHADMN CC(C)[C@@H]1CC[C@H](NCc2nccc(C(F)F)n2)C[C@H]1C ZINC000558292037 327085607 /nfs/dbraw/zinc/08/56/07/327085607.db2.gz CSNPSIPWGAHDSP-AGIUHOORSA-N 0 1 297.393 3.965 20 0 CHADMN CC(C)[C@@H]1CC[C@@H](NCc2nccc(C(F)F)n2)C[C@H]1C ZINC000558292042 327085730 /nfs/dbraw/zinc/08/57/30/327085730.db2.gz CSNPSIPWGAHDSP-UPJWGTAASA-N 0 1 297.393 3.965 20 0 CHADMN Oc1cc(F)cc(CNCc2ccccc2C(F)(F)F)c1 ZINC000223127457 327104793 /nfs/dbraw/zinc/10/47/93/327104793.db2.gz MIMDMOHZZXDLHJ-UHFFFAOYSA-N 0 1 299.267 3.840 20 0 CHADMN COc1ccc(CN2CCC[C@H]2/C=C/c2ccccc2)nc1 ZINC000558721926 327116913 /nfs/dbraw/zinc/11/69/13/327116913.db2.gz OMCTXJSMKHEFLB-CKDFRHGISA-N 0 1 294.398 3.768 20 0 CHADMN Cc1cnc(CN[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)s1 ZINC000518117821 327146831 /nfs/dbraw/zinc/14/68/31/327146831.db2.gz HFGRGVRFDHMEED-NWDGAFQWSA-N 0 1 282.453 3.523 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@H](c2cccnc2)C1 ZINC000566178005 327157075 /nfs/dbraw/zinc/15/70/75/327157075.db2.gz VOWZOEFUIXGIQR-OCCSQVGLSA-N 0 1 288.341 3.910 20 0 CHADMN COC[C@H](NCc1c(Cl)cccc1Cl)C(C)C ZINC000086683988 327158310 /nfs/dbraw/zinc/15/83/10/327158310.db2.gz VEMMTGJMQWSGJX-ZDUSSCGKSA-N 0 1 276.207 3.754 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000086757325 327158606 /nfs/dbraw/zinc/15/86/06/327158606.db2.gz OMICXIDKZXBQPX-NWDGAFQWSA-N 0 1 281.783 3.588 20 0 CHADMN CC[C@H](NCc1ccc(F)cc1)c1ccc(F)cn1 ZINC000131219177 327161595 /nfs/dbraw/zinc/16/15/95/327161595.db2.gz ZRMGUOGVZSERFV-AWEZNQCLSA-N 0 1 262.303 3.601 20 0 CHADMN Fc1ccc(C2(NCc3cncs3)CCCC2)c(F)c1 ZINC000089801644 327173560 /nfs/dbraw/zinc/17/35/60/327173560.db2.gz SKAOQRWLUDZTHX-UHFFFAOYSA-N 0 1 294.370 3.980 20 0 CHADMN O=C([O-])c1coc(C[N@@H+](CC2CCCCC2)C2CC2)c1 ZINC000569463549 327181984 /nfs/dbraw/zinc/18/19/84/327181984.db2.gz PATOYQMWRDCACC-UHFFFAOYSA-N 0 1 277.364 3.523 20 0 CHADMN Cc1[nH]c2ccccc2c1C1CCN(Cc2cc[nH]n2)CC1 ZINC000092191901 327189456 /nfs/dbraw/zinc/18/94/56/327189456.db2.gz JKJVIOXMAPBPRX-UHFFFAOYSA-N 0 1 294.402 3.579 20 0 CHADMN CC(C)COC1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC000092222976 327190320 /nfs/dbraw/zinc/19/03/20/327190320.db2.gz YCVSJSULCSZKAE-UHFFFAOYSA-N 0 1 283.362 3.602 20 0 CHADMN CC(C)C[C@@H](C)C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000410415966 327192921 /nfs/dbraw/zinc/19/29/21/327192921.db2.gz VPAYKGIAJOXFQX-ZIAGYGMSSA-N 0 1 267.438 3.804 20 0 CHADMN CC(C)C[C@@H](C)CN1CCO[C@@H](c2cccs2)C1 ZINC000410415966 327192923 /nfs/dbraw/zinc/19/29/23/327192923.db2.gz VPAYKGIAJOXFQX-ZIAGYGMSSA-N 0 1 267.438 3.804 20 0 CHADMN COc1cccc([C@H]2CN(C[C@@H](C)CC(C)C)CCO2)c1 ZINC000410416521 327193545 /nfs/dbraw/zinc/19/35/45/327193545.db2.gz ZFMYRXOZOPKBPC-MAUKXSAKSA-N 0 1 291.435 3.751 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)o1 ZINC000569583772 327201370 /nfs/dbraw/zinc/20/13/70/327201370.db2.gz YLRNLPRBIOPFSO-HNNXBMFYSA-N 0 1 299.370 3.748 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2cc(Cl)ccc2Cl)C[C@@H]1O ZINC000536369509 327232895 /nfs/dbraw/zinc/23/28/95/327232895.db2.gz RUSWCWVRLZNJSU-RULNRJAQSA-N 0 1 288.218 3.757 20 0 CHADMN FC1(F)CCC(N=c2nc(-c3ccccc3)[nH]s2)CC1 ZINC000536389816 327234917 /nfs/dbraw/zinc/23/49/17/327234917.db2.gz FRGZIQHJLDXMKW-UHFFFAOYSA-N 0 1 295.358 3.617 20 0 CHADMN CC(C)(C)c1cc(CN2CC(C)(C)[C@H]3CCC[C@H]32)no1 ZINC000559432469 327244995 /nfs/dbraw/zinc/24/49/95/327244995.db2.gz TWTFXYKBEHGEEM-UONOGXRCSA-N 0 1 276.424 3.983 20 0 CHADMN CCOC[C@@H]1CCN(Cc2c(Cl)cccc2OCC)C1 ZINC000573739937 327254976 /nfs/dbraw/zinc/25/49/76/327254976.db2.gz DGMPDXQRSLHNEV-CYBMUJFWSA-N 0 1 297.826 3.597 20 0 CHADMN CCCOc1ccc(CN[C@@H]2COCc3ccccc32)cc1 ZINC000559895557 327269430 /nfs/dbraw/zinc/26/94/30/327269430.db2.gz WSXPENHSDPFPQQ-LJQANCHMSA-N 0 1 297.398 3.837 20 0 CHADMN CN(CCC(=O)c1ccc(F)cc1)Cc1cccc(F)c1 ZINC000048013086 327276554 /nfs/dbraw/zinc/27/65/54/327276554.db2.gz RTWWXXIXAIKTEK-UHFFFAOYSA-N 0 1 289.325 3.670 20 0 CHADMN CO[C@H]1CCN(Cc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000449496779 327283246 /nfs/dbraw/zinc/28/32/46/327283246.db2.gz JOLOUYAVJCLTGZ-HZMBPMFUSA-N 0 1 288.218 3.850 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](CCCc1ccc(Cl)cc1)C1CCC1 ZINC000572618994 327302491 /nfs/dbraw/zinc/30/24/91/327302491.db2.gz UCKOASTZMXHLJI-LBPRGKRZSA-N 0 1 295.810 3.600 20 0 CHADMN C(=C\c1ccccc1)\CN1CCOC2(CCCCC2)C1 ZINC000560544497 327322659 /nfs/dbraw/zinc/32/26/59/327322659.db2.gz OKGMLJXJWNWNEG-YFHOEESVSA-N 0 1 271.404 3.735 20 0 CHADMN CCCC[C@H](NCc1cnccn1)c1ccc(OC)cc1 ZINC000560584470 327328047 /nfs/dbraw/zinc/32/80/47/327328047.db2.gz VWBARWDAYRRVHR-KRWDZBQOSA-N 0 1 285.391 3.506 20 0 CHADMN CC(C)(C)OC(=O)c1ccc(CN[C@H]2CCC[C@H]2F)cc1 ZINC000560627690 327332480 /nfs/dbraw/zinc/33/24/80/327332480.db2.gz KUDHFDXARUMSDE-CABCVRRESA-N 0 1 293.382 3.622 20 0 CHADMN CCC[N@@H+](CC)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000566357804 327333911 /nfs/dbraw/zinc/33/39/11/327333911.db2.gz MPOIOFMKNMITOZ-GFCCVEGCSA-N 0 1 290.190 3.851 20 0 CHADMN Cc1cc([C@H](C)[N@H+]2CC[C@H](CC(C)C)C2)oc1C(=O)[O-] ZINC000566358615 327335448 /nfs/dbraw/zinc/33/54/48/327335448.db2.gz LAOZLUVTZCRNLQ-QWHCGFSZSA-N 0 1 279.380 3.715 20 0 CHADMN CC(C)C[C@@H](C)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000560708951 327337507 /nfs/dbraw/zinc/33/75/07/327337507.db2.gz UDCSAHLIXZGIPH-CJNGLKHVSA-N 0 1 265.372 3.634 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1c(C)ccc2ccccc21 ZINC000566367344 327339778 /nfs/dbraw/zinc/33/97/78/327339778.db2.gz DKRGNNMDLGVQEN-AWEZNQCLSA-N 0 1 285.387 3.833 20 0 CHADMN Cc1cc(CN2Cc3ccccc3OC[C@@H]2C)cc(C)c1O ZINC000583408339 327349450 /nfs/dbraw/zinc/34/94/50/327349450.db2.gz SIGJGAQKNAMIFP-HNNXBMFYSA-N 0 1 297.398 3.792 20 0 CHADMN CCC1(C)CCN([C@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000507212285 332796766 /nfs/dbraw/zinc/79/67/66/332796766.db2.gz VDHUVRXUXXCOEG-OAHLLOKOSA-N 0 1 288.435 3.834 20 0 CHADMN C[C@@H]1CC[N@@H+](CC[C@H]2C[C@H](C)C[C@H](C)C2)[C@@H](C(=O)[O-])C1 ZINC000583446574 327371356 /nfs/dbraw/zinc/37/13/56/327371356.db2.gz JZZUKXCONUHDQC-RBGFHDKUSA-N 0 1 281.440 3.634 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccn(C(C)C)n1)[C@@H](C)C2 ZINC000561493849 327399446 /nfs/dbraw/zinc/39/94/46/327399446.db2.gz PCFQFCJWXUJBLO-KBXCAEBGSA-N 0 1 283.419 3.796 20 0 CHADMN CC(C)[C@H]1CCC[C@H]1NCc1noc(-c2cccs2)n1 ZINC000562520727 327488397 /nfs/dbraw/zinc/48/83/97/327488397.db2.gz PBHVRFNHNZKRBI-VXGBXAGGSA-N 0 1 291.420 3.712 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@H]1CCc2c1cccc2OC ZINC000507460826 332807012 /nfs/dbraw/zinc/80/70/12/332807012.db2.gz JSMPXNVWOPCWRJ-GUYCJALGSA-N 0 1 296.414 3.991 20 0 CHADMN CC[C@](C)(NCc1cccc(C)c1)c1nccs1 ZINC000152613733 327563190 /nfs/dbraw/zinc/56/31/90/327563190.db2.gz LKCWNRICFCRVAX-HNNXBMFYSA-N 0 1 260.406 3.867 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1cc(C)cc(OC)c1 ZINC000507508275 332810745 /nfs/dbraw/zinc/81/07/45/332810745.db2.gz JKHSMSQMFZXAEY-CQSZACIVSA-N 0 1 284.403 3.812 20 0 CHADMN Cc1cccc(CN[C@@H]2CCSc3c(F)cccc32)n1 ZINC000051575402 328623662 /nfs/dbraw/zinc/62/36/62/328623662.db2.gz LNJFKWBBKSYFNB-OAHLLOKOSA-N 0 1 288.391 3.856 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)c1cc(Cl)sc1Cl ZINC000300420210 332815610 /nfs/dbraw/zinc/81/56/10/332815610.db2.gz YZQZCYZFVBKIGA-ZQARSLAVSA-N 0 1 294.247 3.865 20 0 CHADMN CC(C)[C@H](C)CN[C@@H](Cc1ccccc1)C(F)F ZINC000536694182 328682717 /nfs/dbraw/zinc/68/27/17/328682717.db2.gz ZACAPHAKURYMJL-OCCSQVGLSA-N 0 1 255.352 3.745 20 0 CHADMN Cc1cc(-c2nnc(CN3CCC(C)(C)CC3)o2)c(C)o1 ZINC000336352581 328750175 /nfs/dbraw/zinc/75/01/75/328750175.db2.gz CJOSYAXEAMVGLW-UHFFFAOYSA-N 0 1 289.379 3.568 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccncn1)c1ccc(C)cc1 ZINC000395816284 328761077 /nfs/dbraw/zinc/76/10/77/328761077.db2.gz NOWVGBRVLHEWNC-DZGCQCFKSA-N 0 1 255.365 3.587 20 0 CHADMN COCC1(NCc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000532479223 328783047 /nfs/dbraw/zinc/78/30/47/328783047.db2.gz ZLAWWUXYGYJUQH-UHFFFAOYSA-N 0 1 291.778 3.869 20 0 CHADMN CCn1nc(C)c(CN[C@@H]2CCCOc3ccccc32)c1C ZINC000532481239 328783325 /nfs/dbraw/zinc/78/33/25/328783325.db2.gz VUGQLYKANLFJRB-QGZVFWFLSA-N 0 1 299.418 3.523 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccncn1)c1cccc(Cl)c1 ZINC000395960657 328791394 /nfs/dbraw/zinc/79/13/94/328791394.db2.gz IRZTTYSPXNZVDJ-SMDDNHRTSA-N 0 1 275.783 3.932 20 0 CHADMN Oc1cc(CNCc2cccc(F)c2)cc(C(F)(F)F)c1 ZINC000352842718 328815965 /nfs/dbraw/zinc/81/59/65/328815965.db2.gz WZFPLAJNFKBBGA-UHFFFAOYSA-N 0 1 299.267 3.840 20 0 CHADMN CCC(CC)[C@@H](NCc1ccc(OC)nn1)c1ccccc1 ZINC000514134110 328833454 /nfs/dbraw/zinc/83/34/54/328833454.db2.gz IDTACFVHFXGDQP-GOSISDBHSA-N 0 1 299.418 3.752 20 0 CHADMN Cc1cc([C@H](C)Nc2ccnc(C)c2Cl)c(C)o1 ZINC000336786871 328838063 /nfs/dbraw/zinc/83/80/63/328838063.db2.gz CVZQAFYLKDYCIK-VIFPVBQESA-N 0 1 264.756 3.848 20 0 CHADMN CSCC1CCC(N[C@H](C)C(C)(F)F)CC1 ZINC000389493586 328852264 /nfs/dbraw/zinc/85/22/64/328852264.db2.gz VSZAYXXDMZIAME-KPPDAEKUSA-N 0 1 251.386 3.542 20 0 CHADMN Clc1sccc1CN1CCC([C@@H]2CCCO2)CC1 ZINC000361611275 328926296 /nfs/dbraw/zinc/92/62/96/328926296.db2.gz PWNVMSSAQVMPGL-ZDUSSCGKSA-N 0 1 285.840 3.793 20 0 CHADMN Cc1noc([C@@H](C)NC2CCC(C(C)(C)C)CC2)n1 ZINC000361609154 328926377 /nfs/dbraw/zinc/92/63/77/328926377.db2.gz ILSPPSHOFZXYKT-QFWMXSHPSA-N 0 1 265.401 3.634 20 0 CHADMN c1cn(Cc2ccccc2)c(C[N@H+]2CCC[C@@H](C3CC3)C2)n1 ZINC000377608642 329019991 /nfs/dbraw/zinc/01/99/91/329019991.db2.gz SZVIFEZXYQIFHT-GOSISDBHSA-N 0 1 295.430 3.553 20 0 CHADMN c1cn(Cc2ccccc2)c(CN2CCC[C@@H](C3CC3)C2)n1 ZINC000377608642 329019992 /nfs/dbraw/zinc/01/99/92/329019992.db2.gz SZVIFEZXYQIFHT-GOSISDBHSA-N 0 1 295.430 3.553 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CC2CCC1CC2 ZINC000378377173 329048107 /nfs/dbraw/zinc/04/81/07/329048107.db2.gz BBOAIMAGMFKCSO-UHFFFAOYSA-N 0 1 286.419 3.623 20 0 CHADMN COc1ccc(-c2cnc(CN3CC4CCC3CC4)o2)cc1 ZINC000378380839 329048128 /nfs/dbraw/zinc/04/81/28/329048128.db2.gz JWSBVBHBHBUDEF-UHFFFAOYSA-N 0 1 298.386 3.725 20 0 CHADMN Fc1ccc(-c2cnc(CN3CC4CCC3CC4)o2)cc1 ZINC000378384431 329048211 /nfs/dbraw/zinc/04/82/11/329048211.db2.gz USLQTODCSJTKNE-UHFFFAOYSA-N 0 1 286.350 3.855 20 0 CHADMN C[C@@H](c1cccnc1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000378396617 329048856 /nfs/dbraw/zinc/04/88/56/329048856.db2.gz OYHUCCYLMMBZNH-ZDUSSCGKSA-N 0 1 299.805 3.980 20 0 CHADMN Fc1ccc(CSCc2n[nH]c(C3CC3)n2)c(Cl)c1 ZINC000193564393 329059529 /nfs/dbraw/zinc/05/95/29/329059529.db2.gz SORKPVBBFOGYFW-UHFFFAOYSA-N 0 1 297.786 3.908 20 0 CHADMN C[C@@H](SCc1n[nH]c(C2CC2)n1)c1cccc(F)c1 ZINC000193619137 329060111 /nfs/dbraw/zinc/06/01/11/329060111.db2.gz BSMGZPKWIHIWJN-SECBINFHSA-N 0 1 277.368 3.816 20 0 CHADMN CCc1ccc(CSCc2n[nH]c(C3CC3)n2)cc1 ZINC000193660179 329060546 /nfs/dbraw/zinc/06/05/46/329060546.db2.gz YFRZYHLNMUCJOB-UHFFFAOYSA-N 0 1 273.405 3.678 20 0 CHADMN CC[C@](C)(CN[C@@H](c1ccccc1)c1ccccn1)OC ZINC000322507786 329072953 /nfs/dbraw/zinc/07/29/53/329072953.db2.gz HZOJEDBUSGNREU-ZWKOTPCHSA-N 0 1 284.403 3.576 20 0 CHADMN c1coc(-c2nnc(CN3CCC[C@@]4(CC=CCC4)C3)o2)c1 ZINC000172283958 329084505 /nfs/dbraw/zinc/08/45/05/329084505.db2.gz AGWDFSVOMVWWHV-KRWDZBQOSA-N 0 1 299.374 3.652 20 0 CHADMN Cc1ncsc1CN(C)Cc1ccc2c(c1)CCC2 ZINC000172290607 329084523 /nfs/dbraw/zinc/08/45/23/329084523.db2.gz DQTOVBRSCGBQMX-UHFFFAOYSA-N 0 1 272.417 3.572 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(F)cc2C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000393500616 329086734 /nfs/dbraw/zinc/08/67/34/329086734.db2.gz ZOYXAJLQRQATEW-LSDHHAIUSA-N 0 1 291.366 3.534 20 0 CHADMN F[C@H]1CCC[C@H]1NCc1cc(Cl)cc(Cl)c1 ZINC000393465788 329092698 /nfs/dbraw/zinc/09/26/98/329092698.db2.gz IBNXFJVOVOYKCY-NWDGAFQWSA-N 0 1 262.155 3.974 20 0 CHADMN Fc1ccc(-n2nccc2C[N@H+]2CC[C@@H](CC3CC3)C2)cc1 ZINC000582716911 329129785 /nfs/dbraw/zinc/12/97/85/329129785.db2.gz PPCQVVANDZSXEG-HNNXBMFYSA-N 0 1 299.393 3.633 20 0 CHADMN Cc1cnc(CN2CCC[C@@H](c3ccccc3)CC2)o1 ZINC000173634929 329150202 /nfs/dbraw/zinc/15/02/02/329150202.db2.gz DZMFANADQUUDBC-MRXNPFEDSA-N 0 1 270.376 3.753 20 0 CHADMN Cc1noc(C)c1CN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000174506592 329159523 /nfs/dbraw/zinc/15/95/23/329159523.db2.gz JPZNPUDRCSWOEY-XHDPSFHLSA-N 0 1 274.364 3.858 20 0 CHADMN CO[C@@H](C)c1nc(CN2CCCC(C)(C)CC2)cs1 ZINC000175265872 329167195 /nfs/dbraw/zinc/16/71/95/329167195.db2.gz OCHFLUDFZCKAGP-LBPRGKRZSA-N 0 1 282.453 3.863 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccn1)c1ccccc1-n1cccn1 ZINC000177180230 329181477 /nfs/dbraw/zinc/18/14/77/329181477.db2.gz KMVBXQPIXSPTHO-CABCVRRESA-N 0 1 292.386 3.679 20 0 CHADMN CCO[C@H](C)c1nc(CN2C[C@@H]3CCCC[C@@H]3C2)cs1 ZINC000177530601 329185255 /nfs/dbraw/zinc/18/52/55/329185255.db2.gz CEXWUSQJLFHIHT-MCIONIFRSA-N 0 1 294.464 3.863 20 0 CHADMN CC(C)N(C)C(=O)[C@@H](C)N(C)Cc1cccc2ccccc21 ZINC000177656654 329188774 /nfs/dbraw/zinc/18/87/74/329188774.db2.gz OPDFBAFCBSVABN-OAHLLOKOSA-N 0 1 298.430 3.527 20 0 CHADMN CSc1ccc(CN2CCc3ccccc3[C@@H]2CO)cc1 ZINC000177829859 329192803 /nfs/dbraw/zinc/19/28/03/329192803.db2.gz AHEQIXFHAVIUOZ-SFHVURJKSA-N 0 1 299.439 3.500 20 0 CHADMN FCC1(NCc2ccc(Br)c(F)c2)CCC1 ZINC000582785030 329194265 /nfs/dbraw/zinc/19/42/65/329194265.db2.gz OZTLZPHNXRFOTO-UHFFFAOYSA-N 0 1 290.151 3.570 20 0 CHADMN C[C@H](N[C@H]1CCCOc2ccccc21)c1ccoc1 ZINC000178317463 329198626 /nfs/dbraw/zinc/19/86/26/329198626.db2.gz QQMAIRZJDPULLS-WFASDCNBSA-N 0 1 257.333 3.844 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)c1ccco1 ZINC000178368974 329199178 /nfs/dbraw/zinc/19/91/78/329199178.db2.gz YHVZXLBAAMPJOY-UONOGXRCSA-N 0 1 281.359 3.877 20 0 CHADMN Cc1nc(C)c(CN2CCOC3(C2)CCCCCC3)s1 ZINC000178418011 329199810 /nfs/dbraw/zinc/19/98/10/329199810.db2.gz UIWOPLLIYOLILA-UHFFFAOYSA-N 0 1 294.464 3.685 20 0 CHADMN Cc1nccn1-c1ccc(CN[C@H](C)c2ccoc2)cc1F ZINC000178625900 329201651 /nfs/dbraw/zinc/20/16/51/329201651.db2.gz BNJVBSVHARXSKL-GFCCVEGCSA-N 0 1 299.349 3.764 20 0 CHADMN CN(Cc1cccc(O)c1)Cc1ccc(Cl)c(F)c1 ZINC000178869041 329204310 /nfs/dbraw/zinc/20/43/10/329204310.db2.gz QWUHKNQNNJXFFW-UHFFFAOYSA-N 0 1 279.742 3.817 20 0 CHADMN c1csc(CN(Cc2cnc[nH]2)Cc2cccs2)c1 ZINC000179723008 329207833 /nfs/dbraw/zinc/20/78/33/329207833.db2.gz SOZLOYGYWBWXRM-UHFFFAOYSA-N 0 1 289.429 3.735 20 0 CHADMN Clc1cccc(C2(NCc3cccc4nccn43)CC2)c1 ZINC000179427682 329208477 /nfs/dbraw/zinc/20/84/77/329208477.db2.gz TYBJCUXUWGVEQX-UHFFFAOYSA-N 0 1 297.789 3.767 20 0 CHADMN Clc1ccc(CSCc2n[nH]c(C3CC3)n2)cc1 ZINC000179647525 329210979 /nfs/dbraw/zinc/21/09/79/329210979.db2.gz KFPLBTHUNCBMKY-UHFFFAOYSA-N 0 1 279.796 3.769 20 0 CHADMN CCS[C@@H]1CCCC[N@@H+](Cc2ncc(C)s2)C1 ZINC000180490676 329219980 /nfs/dbraw/zinc/21/99/80/329219980.db2.gz LJPHKIADFSSOFW-GFCCVEGCSA-N 0 1 270.467 3.559 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2ncc(C)s2)C1 ZINC000180490676 329219981 /nfs/dbraw/zinc/21/99/81/329219981.db2.gz LJPHKIADFSSOFW-GFCCVEGCSA-N 0 1 270.467 3.559 20 0 CHADMN Cc1ccc2nc(CNC(=O)C3C[C@H](C)C[C@@H](C)C3)[nH]c2c1 ZINC000180335295 329220009 /nfs/dbraw/zinc/22/00/09/329220009.db2.gz CMYOZTHMQXKLJP-CHWSQXEVSA-N 0 1 299.418 3.560 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NCc1ccccc1OC1CCC1 ZINC000180972480 329224510 /nfs/dbraw/zinc/22/45/10/329224510.db2.gz XBRQUVQERWEZNH-CYBMUJFWSA-N 0 1 299.418 3.511 20 0 CHADMN CC[C@@H]1CCCN(Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181350166 329231944 /nfs/dbraw/zinc/23/19/44/329231944.db2.gz MFZHSTNNXUTIIW-CYBMUJFWSA-N 0 1 288.439 3.503 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnn(CC(C)C)c2)c(C)o1 ZINC000181783325 329237157 /nfs/dbraw/zinc/23/71/57/329237157.db2.gz FKDIMGLFAXCIRA-CYBMUJFWSA-N 0 1 275.396 3.600 20 0 CHADMN CC[C@H](NCc1cncc(C)c1)c1ccccc1OC ZINC000181840737 329237673 /nfs/dbraw/zinc/23/76/73/329237673.db2.gz UDTZRBCCXIPYML-INIZCTEOSA-N 0 1 270.376 3.640 20 0 CHADMN Cc1cncc(CN[C@H](C)c2cc(F)cc(F)c2)c1 ZINC000181842604 329238024 /nfs/dbraw/zinc/23/80/24/329238024.db2.gz ZFPOIWPQVWAWQC-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN CC(=O)Nc1ccc([C@@H](C)NCc2ccccc2F)cc1 ZINC000181914218 329238198 /nfs/dbraw/zinc/23/81/98/329238198.db2.gz DHAZLSIZOJGESU-GFCCVEGCSA-N 0 1 286.350 3.635 20 0 CHADMN Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C ZINC000182296412 329241605 /nfs/dbraw/zinc/24/16/05/329241605.db2.gz XZCPRTWSNAGUMS-MRXNPFEDSA-N 0 1 287.382 3.811 20 0 CHADMN CO[C@H](C)C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000182353031 329241931 /nfs/dbraw/zinc/24/19/31/329241931.db2.gz FGKYGPOCTQJURW-OAHLLOKOSA-N 0 1 296.414 3.748 20 0 CHADMN C[C@@H](N[C@@H]1COCc2ccccc21)c1ccsc1 ZINC000225998583 329256475 /nfs/dbraw/zinc/25/64/75/329256475.db2.gz GTKCGVXUHVHFOS-IAQYHMDHSA-N 0 1 259.374 3.670 20 0 CHADMN CC[C@@H](CSc1ccccc1)NCc1cc(C)on1 ZINC000459455337 329256830 /nfs/dbraw/zinc/25/68/30/329256830.db2.gz VJKDMPGIIFLWKE-ZDUSSCGKSA-N 0 1 276.405 3.644 20 0 CHADMN CC(C)C[C@@H]1OCCC[C@@H]1NCc1csc(C(C)C)n1 ZINC000185192031 329267401 /nfs/dbraw/zinc/26/74/01/329267401.db2.gz FNWQJYIBUUKNSZ-GJZGRUSLSA-N 0 1 296.480 3.950 20 0 CHADMN CC(C)O[C@H]1C[C@H](NCc2nc(C(C)C)cs2)C1(C)C ZINC000185238565 329269269 /nfs/dbraw/zinc/26/92/69/329269269.db2.gz LLKFYCVMYDSXRE-KBPBESRZSA-N 0 1 296.480 3.948 20 0 CHADMN Cc1ncc(CN2CC[C@@H](c3c(F)cccc3F)C2)s1 ZINC000185306073 329272706 /nfs/dbraw/zinc/27/27/06/329272706.db2.gz WTRMXTDEADUPRD-LLVKDONJSA-N 0 1 294.370 3.719 20 0 CHADMN Cc1ccnc(CN2CCC[C@]2(C)Cc2cccc(F)c2)n1 ZINC000583022155 329298600 /nfs/dbraw/zinc/29/86/00/329298600.db2.gz WJSLMRRIOXUYBF-GOSISDBHSA-N 0 1 299.393 3.521 20 0 CHADMN COC(=O)c1sccc1CN1CCCC[C@@H]1C(C)C ZINC000395813126 329301420 /nfs/dbraw/zinc/30/14/20/329301420.db2.gz MCUYANZDFRZZDR-CYBMUJFWSA-N 0 1 281.421 3.545 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CCC(C)(C)C)CC(=O)[O-] ZINC000583095967 329315661 /nfs/dbraw/zinc/31/56/61/329315661.db2.gz XGLZLQBVGXLHOH-OAHLLOKOSA-N 0 1 277.408 3.961 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)c2oc3ccccc3c2C)n[nH]1 ZINC000392359786 329326832 /nfs/dbraw/zinc/32/68/32/329326832.db2.gz WTHAVIUJKJVNID-QWRGUYRKSA-N 0 1 284.363 3.580 20 0 CHADMN Cc1occc1CN[C@H]1CCSc2ccccc21 ZINC000321256679 329335299 /nfs/dbraw/zinc/33/52/99/329335299.db2.gz PMHWEXTTWRHRBR-AWEZNQCLSA-N 0 1 259.374 3.915 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H](C)c2cccc(Cl)c2Cl)n[nH]1 ZINC000392462003 329340725 /nfs/dbraw/zinc/34/07/25/329340725.db2.gz NQJPOERALKBNBH-JGVFFNPUSA-N 0 1 299.205 3.832 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000187021920 329351702 /nfs/dbraw/zinc/35/17/02/329351702.db2.gz XNSOHDKPCYCZIL-WSMDXJOWSA-N 0 1 283.774 3.528 20 0 CHADMN COc1ccc(-c2cnc(CN3CCCC4(CC4)C3)o2)cc1 ZINC000186956952 329352131 /nfs/dbraw/zinc/35/21/31/329352131.db2.gz WDUFKAHCRIMULX-UHFFFAOYSA-N 0 1 298.386 3.726 20 0 CHADMN CCN(Cc1ccc(C)nc1C)[C@@H](C)c1cccc(O)c1 ZINC000187126888 329353506 /nfs/dbraw/zinc/35/35/06/329353506.db2.gz LXMFZYHVIPAKOT-HNNXBMFYSA-N 0 1 284.403 3.987 20 0 CHADMN Cc1nc(SCC(F)F)[nH]c1-c1ccccc1 ZINC000187130275 329353575 /nfs/dbraw/zinc/35/35/75/329353575.db2.gz PTBBSCPBGRAVHS-UHFFFAOYSA-N 0 1 254.305 3.742 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cncc(Br)c2)C1 ZINC000229492185 329354673 /nfs/dbraw/zinc/35/46/73/329354673.db2.gz XEQJAHMUVOSORA-IJLUTSLNSA-N 0 1 297.240 3.711 20 0 CHADMN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2cncc(Br)c2)C1 ZINC000229492206 329354703 /nfs/dbraw/zinc/35/47/03/329354703.db2.gz XEQJAHMUVOSORA-GRYCIOLGSA-N 0 1 297.240 3.711 20 0 CHADMN C[C@@H](NCc1cncc(F)c1)c1cccc(Cl)c1 ZINC000230938016 329372611 /nfs/dbraw/zinc/37/26/11/329372611.db2.gz VQAIBTNBEWOTRT-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN CCc1ccc(C(=O)Nc2nc3ccc(C)cc3[nH]2)cc1 ZINC000583221174 329377771 /nfs/dbraw/zinc/37/77/71/329377771.db2.gz RANVOBPFNFHKED-UHFFFAOYSA-N 0 1 279.343 3.686 20 0 CHADMN CN(C)c1cccc([C@@H]2CCCN2Cc2ccc(F)nc2)c1 ZINC000189373469 329380437 /nfs/dbraw/zinc/38/04/37/329380437.db2.gz HBLUCZIWGGHSTG-KRWDZBQOSA-N 0 1 299.393 3.624 20 0 CHADMN CC(C)Cn1ccnc1NCc1ccc(Cl)cc1 ZINC000232684452 329391337 /nfs/dbraw/zinc/39/13/37/329391337.db2.gz MTSHTOMMVJIBBL-UHFFFAOYSA-N 0 1 263.772 3.805 20 0 CHADMN CCC(=O)CCCN(C)Cc1ccccc1Cl ZINC000232841592 329391443 /nfs/dbraw/zinc/39/14/43/329391443.db2.gz LUIVPZMRJQHSLU-UHFFFAOYSA-N 0 1 253.773 3.531 20 0 CHADMN C[C@H](NC[C@H]1CC[C@H](C)O1)c1nc(C(C)(C)C)cs1 ZINC000191097644 329407663 /nfs/dbraw/zinc/40/76/63/329407663.db2.gz SNSVPBGMTMWDER-SDDRHHMPSA-N 0 1 282.453 3.659 20 0 CHADMN Cc1cccc(CN[C@H]2CCOc3c(F)cccc32)c1 ZINC000191122237 329408657 /nfs/dbraw/zinc/40/86/57/329408657.db2.gz NRRLUNKMIPMUJL-INIZCTEOSA-N 0 1 271.335 3.748 20 0 CHADMN Cc1ncccc1CN[C@H](C)c1cc2ccccc2o1 ZINC000191130361 329409290 /nfs/dbraw/zinc/40/92/90/329409290.db2.gz NDJGJQGOTZVUII-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@H]1NCc1nnc(C(C)C)o1 ZINC000191347516 329412879 /nfs/dbraw/zinc/41/28/79/329412879.db2.gz AXDIJYYPZNRRNA-UONOGXRCSA-N 0 1 279.428 3.888 20 0 CHADMN Cn1c2ccccc2nc1CNCc1ccc(C2CC2)cc1 ZINC000191680671 329416709 /nfs/dbraw/zinc/41/67/09/329416709.db2.gz AUEZEXNOYXVVRV-UHFFFAOYSA-N 0 1 291.398 3.741 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1nnc(C(C)C)s1 ZINC000584511652 329508193 /nfs/dbraw/zinc/50/81/93/329508193.db2.gz YRPNXWHFCBXGKC-SNVBAGLBSA-N 0 1 255.431 3.576 20 0 CHADMN Cc1ncc(CN[C@H]2CCCOc3ccc(C)cc32)s1 ZINC000123706672 329561638 /nfs/dbraw/zinc/56/16/38/329561638.db2.gz XJFWLIMGUXTDNO-HNNXBMFYSA-N 0 1 288.416 3.763 20 0 CHADMN CCc1noc(CC)c1CN[C@@H](C)c1ccccc1 ZINC000124813959 329574153 /nfs/dbraw/zinc/57/41/53/329574153.db2.gz BNNLQZCZJHEPCC-LBPRGKRZSA-N 0 1 258.365 3.650 20 0 CHADMN Cc1ncc(CNCc2ccccc2OCC(C)C)s1 ZINC000236655147 329689683 /nfs/dbraw/zinc/68/96/83/329689683.db2.gz CXIFWZBBSFBCBC-UHFFFAOYSA-N 0 1 290.432 3.776 20 0 CHADMN Cc1nc2cc(NCc3ccccc3)ccc2n1[C@@H](C)CO ZINC000419768284 329745038 /nfs/dbraw/zinc/74/50/38/329745038.db2.gz UFPIFWNAGXIETM-ZDUSSCGKSA-N 0 1 295.386 3.510 20 0 CHADMN CC1(C)CCC[C@@H](c2noc(C34CCCN3CCC4)n2)C1 ZINC000420499042 329770019 /nfs/dbraw/zinc/77/00/19/329770019.db2.gz CJEYHDKRIRYJJR-CYBMUJFWSA-N 0 1 289.423 3.838 20 0 CHADMN C[C@@H](CNc1nc(C2CCCC2)ns1)CC(F)(F)F ZINC000420658973 329780967 /nfs/dbraw/zinc/78/09/67/329780967.db2.gz ZIAFGMRTDGOMKA-MRVPVSSYSA-N 0 1 293.358 3.618 20 0 CHADMN CCc1ncc(CN[C@@H](CC(F)F)c2ccccc2)cn1 ZINC000421374558 329816325 /nfs/dbraw/zinc/81/63/25/329816325.db2.gz PFIXFDHOFGAYKH-AWEZNQCLSA-N 0 1 291.345 3.525 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2ccco2)cc1OC ZINC000069674419 329854336 /nfs/dbraw/zinc/85/43/36/329854336.db2.gz HOSOMMAXCZPSFK-GFCCVEGCSA-N 0 1 275.348 3.538 20 0 CHADMN C[C@@H](NCc1nnc(-c2ccccc2Cl)o1)C(C)(C)C ZINC000074317000 329863903 /nfs/dbraw/zinc/86/39/03/329863903.db2.gz NITSAOMGIXSDGL-SNVBAGLBSA-N 0 1 293.798 3.914 20 0 CHADMN C[C@@H](NC/C=C/c1ccc(F)cc1F)c1ccncc1F ZINC000509949179 332886523 /nfs/dbraw/zinc/88/65/23/332886523.db2.gz PLGWAGCOMVGCKG-KXMPLOMGSA-N 0 1 292.304 3.863 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000262285255 330004321 /nfs/dbraw/zinc/00/43/21/330004321.db2.gz WNHRGXZYKYYOBR-HNNXBMFYSA-N 0 1 279.355 3.608 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000262286065 330004360 /nfs/dbraw/zinc/00/43/60/330004360.db2.gz WSLFGVJJNIDFMB-HNNXBMFYSA-N 0 1 267.413 3.676 20 0 CHADMN C[C@]1(C(=O)[O-])CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000262936615 330037383 /nfs/dbraw/zinc/03/73/83/330037383.db2.gz BWHQBCCLHSKGPI-IBGZPJMESA-N 0 1 297.398 3.569 20 0 CHADMN CC(C)c1ccc(CC[N@H+]2CCC[C@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000263006187 330038653 /nfs/dbraw/zinc/03/86/53/330038653.db2.gz APUGRPZQTNYUHB-YOEHRIQHSA-N 0 1 289.419 3.538 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@H+]1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263012819 330038772 /nfs/dbraw/zinc/03/87/72/330038772.db2.gz CFPDIXOYVWMBGR-DZKIICNBSA-N 0 1 281.440 3.778 20 0 CHADMN C[C@H](C[N@H+]1C[C@H](C(=O)[O-])CC[C@H]1C)c1cccc(Cl)c1 ZINC000263336208 330052468 /nfs/dbraw/zinc/05/24/68/330052468.db2.gz MMQORZJTMNHJJI-YRGRVCCFSA-N 0 1 295.810 3.629 20 0 CHADMN CCCC1CCC(C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)CC1 ZINC000263350376 330052879 /nfs/dbraw/zinc/05/28/79/330052879.db2.gz PQGYDVCJUYUCOW-PRLABOORSA-N 0 1 281.440 3.778 20 0 CHADMN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1ccc(C2CCCC2)cc1 ZINC000263379551 330053432 /nfs/dbraw/zinc/05/34/32/330053432.db2.gz BHQBADPHMPZWMO-KRWDZBQOSA-N 0 1 287.403 3.783 20 0 CHADMN CCCC1CCC(C[N@H+]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000263401788 330054263 /nfs/dbraw/zinc/05/42/63/330054263.db2.gz IHVJXBZICNVQOQ-YMAMQOFZSA-N 0 1 267.413 3.532 20 0 CHADMN CCCC1CCC(C[N@H+]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000263401787 330054438 /nfs/dbraw/zinc/05/44/38/330054438.db2.gz IHVJXBZICNVQOQ-NRXISQOPSA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])c1cccc(CNc2ccc(C3CCC3)c[nH+]2)c1 ZINC000263436036 330055773 /nfs/dbraw/zinc/05/57/73/330055773.db2.gz UREBUAVHZQCVCL-UHFFFAOYSA-N 0 1 282.343 3.659 20 0 CHADMN CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263490909 330057642 /nfs/dbraw/zinc/05/76/42/330057642.db2.gz RDLMQOGZYVXUMF-XJKSGUPXSA-N 0 1 275.392 3.785 20 0 CHADMN Cc1ccccc1[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000263494613 330057899 /nfs/dbraw/zinc/05/78/99/330057899.db2.gz SJBBGNZAFAQRIK-QGZVFWFLSA-N 0 1 295.382 3.683 20 0 CHADMN Cc1ccc2nc(S[C@@H]3CCO[C@H](C)C3)[nH]c2c1 ZINC000421825909 330083513 /nfs/dbraw/zinc/08/35/13/330083513.db2.gz PYILABHAWXSAMB-GHMZBOCLSA-N 0 1 262.378 3.531 20 0 CHADMN C[C@H](NCc1cccs1)c1ccncc1Cl ZINC000421814262 330085711 /nfs/dbraw/zinc/08/57/11/330085711.db2.gz JDDPNQQAOSFPHR-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN C[C@@H]1C[C@H](Sc2nc3ccc(Cl)cc3[nH]2)CCO1 ZINC000421819535 330086569 /nfs/dbraw/zinc/08/65/69/330086569.db2.gz HPOCOBYLPZUSGR-PSASIEDQSA-N 0 1 282.796 3.876 20 0 CHADMN COCc1ccccc1CN[C@H](C)c1ccncc1Cl ZINC000421819665 330086596 /nfs/dbraw/zinc/08/65/96/330086596.db2.gz IIOOZXCMBJTTEF-GFCCVEGCSA-N 0 1 290.794 3.732 20 0 CHADMN COc1cc(Cl)ccc1[C@H](C)N[C@H]1CCC[C@H]1F ZINC000421857589 330089631 /nfs/dbraw/zinc/08/96/31/330089631.db2.gz PJSKFGNLEXKPOM-BIMULSAOSA-N 0 1 271.763 3.890 20 0 CHADMN CC[C@H](N[C@H](C)c1ccncc1Cl)c1ccncc1 ZINC000421837391 330092144 /nfs/dbraw/zinc/09/21/44/330092144.db2.gz SLVVKOVXXIGCEV-ABAIWWIYSA-N 0 1 275.783 3.932 20 0 CHADMN CCn1cc([C@@H](C)N[C@@H](CC(F)F)c2ccccc2)cn1 ZINC000421887892 330096447 /nfs/dbraw/zinc/09/64/47/330096447.db2.gz WEMJMGULGHXQOV-DOMZBBRYSA-N 0 1 293.361 3.950 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(Cl)cn2)cc(C)n1 ZINC000421860468 330097898 /nfs/dbraw/zinc/09/78/98/330097898.db2.gz TZDAOEYRQZFKEV-LBPRGKRZSA-N 0 1 275.783 3.598 20 0 CHADMN COc1ccc([C@@H](N[C@H]2CCC[C@H]2F)C2CC2)c(F)c1 ZINC000421862770 330098501 /nfs/dbraw/zinc/09/85/01/330098501.db2.gz WQMJFFVZGFOMTA-KBMXLJTQSA-N 0 1 281.346 3.766 20 0 CHADMN CCc1noc(C)c1CNC1(c2ccccc2)CCC1 ZINC000162669259 330105161 /nfs/dbraw/zinc/10/51/61/330105161.db2.gz SBYRHFWBMKPZGK-UHFFFAOYSA-N 0 1 270.376 3.714 20 0 CHADMN c1csc([C@@H]2CCCN2Cc2cccc3c2OCO3)c1 ZINC000162691166 330109840 /nfs/dbraw/zinc/10/98/40/330109840.db2.gz YHYJOIMUQNAYCH-ZDUSSCGKSA-N 0 1 287.384 3.814 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000081178209 330167946 /nfs/dbraw/zinc/16/79/46/330167946.db2.gz OWMIHKFVFYQXRA-IUODEOHRSA-N 0 1 285.391 3.604 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cnc(C)cc1C ZINC000397020509 330236040 /nfs/dbraw/zinc/23/60/40/330236040.db2.gz HRSYYSTXYOIXTA-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2ccc(F)cc2F)cn1 ZINC000397118501 330238660 /nfs/dbraw/zinc/23/86/60/330238660.db2.gz XNYMPBBHELPVEK-GFCCVEGCSA-N 0 1 276.330 3.827 20 0 CHADMN Cc1nc2cc(NCCCc3ccc(C)nc3)ccc2n1C ZINC000527232677 330239288 /nfs/dbraw/zinc/23/92/88/330239288.db2.gz WTGFZEDGWGZPCD-UHFFFAOYSA-N 0 1 294.402 3.630 20 0 CHADMN C[C@@H](NCc1cnc2ccccc2c1)c1ccoc1 ZINC000536855941 330251952 /nfs/dbraw/zinc/25/19/52/330251952.db2.gz CURHMMIUKUOMKV-GFCCVEGCSA-N 0 1 252.317 3.679 20 0 CHADMN C[C@H](NCc1cccc2c1OCO2)c1ccc(Cl)s1 ZINC000036325199 330254016 /nfs/dbraw/zinc/25/40/16/330254016.db2.gz FFZTUBILPMYRIX-VIFPVBQESA-N 0 1 295.791 3.981 20 0 CHADMN FC1(CN2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000527510006 330254556 /nfs/dbraw/zinc/25/45/56/330254556.db2.gz UTVYDPPKEHEIHZ-ZDUSSCGKSA-N 0 1 253.748 3.979 20 0 CHADMN CCOc1ncccc1CNCc1ccc(C(F)F)cc1 ZINC000527523730 330256914 /nfs/dbraw/zinc/25/69/14/330256914.db2.gz VOEWBXJIQLHCFN-UHFFFAOYSA-N 0 1 292.329 3.708 20 0 CHADMN Cc1cnc(C2CCN(Cc3ccnc(C)c3)CC2)s1 ZINC000527539303 330260741 /nfs/dbraw/zinc/26/07/41/330260741.db2.gz MRLHYGVADKQFOE-UHFFFAOYSA-N 0 1 287.432 3.535 20 0 CHADMN CCCOc1ccc(CNCc2cncn2C(C)C)cc1 ZINC000424130341 330261322 /nfs/dbraw/zinc/26/13/22/330261322.db2.gz HLDYEUUAAKFAHB-UHFFFAOYSA-N 0 1 287.407 3.543 20 0 CHADMN Cc1cc(CN(C)CCOc2cccc(Cl)c2)ccn1 ZINC000527535324 330263390 /nfs/dbraw/zinc/26/33/90/330263390.db2.gz UEEQQAFKYYXXLC-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN COC[C@H](N[C@H](C)c1cccs1)c1ccc(F)cc1 ZINC000536869749 330265022 /nfs/dbraw/zinc/26/50/22/330265022.db2.gz MHVDGYRWUKFORS-RISCZKNCSA-N 0 1 279.380 3.926 20 0 CHADMN CC(C)c1ncc2c(n1)CCN(C/C=C/c1ccccc1)C2 ZINC000527618452 330265671 /nfs/dbraw/zinc/26/56/71/330265671.db2.gz KFGYCYCWGDMAFI-RMKNXTFCSA-N 0 1 293.414 3.672 20 0 CHADMN COCCNCc1cc(Cl)c(OC(C)C)cc1Cl ZINC000527628556 330266682 /nfs/dbraw/zinc/26/66/82/330266682.db2.gz CMZKWOSOSURYFH-UHFFFAOYSA-N 0 1 292.206 3.517 20 0 CHADMN C[C@@H](NCc1ncc(-c2ccccc2)cn1)[C@@H]1C[C@H]1C1CC1 ZINC000527689925 330279124 /nfs/dbraw/zinc/27/91/24/330279124.db2.gz BVYHWUNRACHRGA-BVGQSLNGSA-N 0 1 293.414 3.668 20 0 CHADMN Cc1occc1CN[C@H](c1ccccn1)C1CCC1 ZINC000527771094 330282035 /nfs/dbraw/zinc/28/20/35/330282035.db2.gz ILZPBXPLMRPPKM-INIZCTEOSA-N 0 1 256.349 3.614 20 0 CHADMN CC[C@@H](NCc1nccn1CC)c1cc(C)ccc1C ZINC000527817925 330282866 /nfs/dbraw/zinc/28/28/66/330282866.db2.gz DXWJWDZNZIPKKH-MRXNPFEDSA-N 0 1 271.408 3.761 20 0 CHADMN CCOc1c(Cl)cccc1CNCc1cccnc1C ZINC000527793171 330283678 /nfs/dbraw/zinc/28/36/78/330283678.db2.gz GRJRRHNYMATAFX-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN CCCn1cc(CN[C@@H]2CCc3cc(Cl)ccc32)cn1 ZINC000527795207 330283738 /nfs/dbraw/zinc/28/37/38/330283738.db2.gz OCZPIWDEQMZNNO-MRXNPFEDSA-N 0 1 289.810 3.724 20 0 CHADMN Cc1cccnc1[C@H](NCc1cncn1C(C)C)C(C)C ZINC000424142659 330285555 /nfs/dbraw/zinc/28/55/55/330285555.db2.gz IPVAPSZUDJMBAR-MRXNPFEDSA-N 0 1 286.423 3.654 20 0 CHADMN CC[C@H](NCc1n[nH]cc1C)c1cc(C)ccc1C ZINC000527819623 330286237 /nfs/dbraw/zinc/28/62/37/330286237.db2.gz JYOYVJZAQLFNOZ-HNNXBMFYSA-N 0 1 257.381 3.576 20 0 CHADMN Cc1cccc([C@H](N[C@H]2CCn3ccnc32)C(C)C)c1 ZINC000527904446 330289729 /nfs/dbraw/zinc/28/97/29/330289729.db2.gz NWLBSMPWVHZHEE-JKSUJKDBSA-N 0 1 269.392 3.623 20 0 CHADMN Cc1cccc([C@H](N[C@@H]2CCn3ccnc32)C(C)C)c1 ZINC000527904445 330289755 /nfs/dbraw/zinc/28/97/55/330289755.db2.gz NWLBSMPWVHZHEE-HZPDHXFCSA-N 0 1 269.392 3.623 20 0 CHADMN CC[C@@H](CCc1ccccc1)N[C@H](C)c1csnn1 ZINC000527907265 330290332 /nfs/dbraw/zinc/29/03/32/330290332.db2.gz FZRCQTJQDOPTQC-OCCSQVGLSA-N 0 1 275.421 3.600 20 0 CHADMN Cc1cccc([C@@H](NCc2ncccc2N(C)C)C(C)C)c1 ZINC000527901836 330293474 /nfs/dbraw/zinc/29/34/74/330293474.db2.gz PXCYOCLNGQVBFK-IBGZPJMESA-N 0 1 297.446 3.943 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)no1 ZINC000527940674 330293870 /nfs/dbraw/zinc/29/38/70/330293870.db2.gz BGZRTFQYRNEMTB-DOXNRDAMSA-N 0 1 288.778 3.625 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1ccccc1CC(C)C ZINC000527919784 330295509 /nfs/dbraw/zinc/29/55/09/330295509.db2.gz KGLDHUMIAAIOHC-OAHLLOKOSA-N 0 1 283.419 3.834 20 0 CHADMN CCc1nc(C)c([C@H](C)NCc2cccnc2C)s1 ZINC000527984723 330298499 /nfs/dbraw/zinc/29/84/99/330298499.db2.gz HCQSPUXVATVFPW-NSHDSACASA-N 0 1 275.421 3.568 20 0 CHADMN Fc1ccc([C@H](NCC[C@@H]2CC=CCC2)c2ncc[nH]2)cc1 ZINC000527976385 330302076 /nfs/dbraw/zinc/30/20/76/330302076.db2.gz FEYKXZJKHTXJHM-PBHICJAKSA-N 0 1 299.393 3.974 20 0 CHADMN CC(C)CO[C@H]1C[C@H](N[C@@H](C)c2ncccc2F)C1(C)C ZINC000528036262 330302766 /nfs/dbraw/zinc/30/27/66/330302766.db2.gz QNNWSZRXVMBXOS-QEJZJMRPSA-N 0 1 294.414 3.711 20 0 CHADMN Cc1cc([C@H](C)NC[C@H]2CC[N@@H+]2C2CCCC2)c(C)o1 ZINC000528007702 330303674 /nfs/dbraw/zinc/30/36/74/330303674.db2.gz BVDLGUXJSRKSMN-XJKSGUPXSA-N 0 1 276.424 3.564 20 0 CHADMN COc1ccc([C@@H](N[C@H]2CCCc3occc32)C2CC2)cn1 ZINC000528045427 330306075 /nfs/dbraw/zinc/30/60/75/330306075.db2.gz YSCNNAZWZZTMAC-YJBOKZPZSA-N 0 1 298.386 3.802 20 0 CHADMN CN(Cc1ncccc1Cl)[C@@H]1CCc2ccccc2C1 ZINC000528379583 330307683 /nfs/dbraw/zinc/30/76/83/330307683.db2.gz HUFVAROENGZAJR-OAHLLOKOSA-N 0 1 286.806 3.724 20 0 CHADMN CC(C)n1cncc1CN[C@H](CC(F)F)c1ccccc1 ZINC000424169076 330310524 /nfs/dbraw/zinc/31/05/24/330310524.db2.gz JCLDTFJTMRSAON-OAHLLOKOSA-N 0 1 293.361 3.950 20 0 CHADMN Cc1cc(F)c(CNCC2(C(F)(F)F)CC2)c(F)c1 ZINC000424170627 330310768 /nfs/dbraw/zinc/31/07/68/330310768.db2.gz IMJJHWFFYKUYMJ-UHFFFAOYSA-N 0 1 279.252 3.705 20 0 CHADMN C[C@H](N[C@H]1CCCOc2ccc(F)cc21)c1ccoc1 ZINC000536877547 330310994 /nfs/dbraw/zinc/31/09/94/330310994.db2.gz PFCPYENTKNCSRB-NHYWBVRUSA-N 0 1 275.323 3.983 20 0 CHADMN C/C(Cl)=C\CN1CCC([C@@H](O)c2ccccc2C)CC1 ZINC000528501734 330318345 /nfs/dbraw/zinc/31/83/45/330318345.db2.gz DBZRTCKJBJJDLN-OEXZBZRSSA-N 0 1 293.838 3.883 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)Cc1cc(CO)ccc1F ZINC000528337231 330319443 /nfs/dbraw/zinc/31/94/43/330319443.db2.gz JFRLPCRYPNRPTQ-GFCCVEGCSA-N 0 1 291.341 3.650 20 0 CHADMN CN(Cc1ccccc1)Cc1cccnc1C(F)(F)F ZINC000528346289 330321213 /nfs/dbraw/zinc/32/12/13/330321213.db2.gz YICLNFHXXSHITF-UHFFFAOYSA-N 0 1 280.293 3.732 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2cccnc2C(F)(F)F)C1 ZINC000528346326 330321381 /nfs/dbraw/zinc/32/13/81/330321381.db2.gz YVULMGUDAJSRGC-PHIMTYICSA-N 0 1 272.314 3.578 20 0 CHADMN C[C@@H]1CCC[C@H](N(C)Cc2ncccc2Cl)C1 ZINC000528354573 330321698 /nfs/dbraw/zinc/32/16/98/330321698.db2.gz WHMZBKQBBRSPCB-NEPJUHHUSA-N 0 1 252.789 3.746 20 0 CHADMN CO[C@@H](CN(C)Cc1ccoc1C)c1ccc(F)cc1 ZINC000528357039 330321875 /nfs/dbraw/zinc/32/18/75/330321875.db2.gz IMVHXYYTIBUFBT-INIZCTEOSA-N 0 1 277.339 3.547 20 0 CHADMN CSCc1cccc(CNCc2cncn2C(C)C)c1 ZINC000424192578 330323832 /nfs/dbraw/zinc/32/38/32/330323832.db2.gz PLHQTMVWESVWIS-UHFFFAOYSA-N 0 1 289.448 3.617 20 0 CHADMN CC1(C)C[C@H]1NCc1csc(-c2ccc(F)cc2)n1 ZINC000044370643 330329540 /nfs/dbraw/zinc/32/95/40/330329540.db2.gz QEIFSBKHQLZFAO-CYBMUJFWSA-N 0 1 276.380 3.837 20 0 CHADMN Cc1ccc(-c2noc(-c3cc(-c4ccoc4)n[nH]3)n2)cc1 ZINC000533088288 330332467 /nfs/dbraw/zinc/33/24/67/330332467.db2.gz PJHYBEVIMNGYFE-UHFFFAOYSA-N 0 1 292.298 3.695 20 0 CHADMN COc1ccc([C@H](C)NCc2ccc(C)nc2)c(Cl)c1 ZINC000424262354 330332743 /nfs/dbraw/zinc/33/27/43/330332743.db2.gz FZGYFYGBROWBHG-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)[C@H]1C(=O)[O-] ZINC000424269276 330333167 /nfs/dbraw/zinc/33/31/67/330333167.db2.gz MFJTTYCGXWTDJG-RDTXWAMCSA-N 0 1 297.398 3.567 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1 ZINC000424272347 330333327 /nfs/dbraw/zinc/33/33/27/330333327.db2.gz QJVHIHIQALWOHN-RHSMWYFYSA-N 0 1 289.419 3.570 20 0 CHADMN CC(C)N(Cc1nc(C(F)(F)F)cs1)CC1CC1 ZINC000533099571 330334588 /nfs/dbraw/zinc/33/45/88/330334588.db2.gz KCLQGPNRRKDISM-UHFFFAOYSA-N 0 1 278.343 3.782 20 0 CHADMN COc1ncc(CN2CCCC[C@H]2C(C)C)cc1Cl ZINC000533099783 330335350 /nfs/dbraw/zinc/33/53/50/330335350.db2.gz KNVNKIMAJZEIIU-AWEZNQCLSA-N 0 1 282.815 3.754 20 0 CHADMN Fc1ccc([C@H](NC[C@@H]2C[C@H]2C2CCC2)c2ncc[nH]2)cc1 ZINC000424300852 330337519 /nfs/dbraw/zinc/33/75/19/330337519.db2.gz VAJWOMXOYHDJLV-XIRDDKMYSA-N 0 1 299.393 3.664 20 0 CHADMN CC[C@H](N[C@@H]1C[C@@]1(F)c1ccccc1)c1ccncc1 ZINC000424313308 330339021 /nfs/dbraw/zinc/33/90/21/330339021.db2.gz ATFXENMTUWTNSJ-GVDBMIGSSA-N 0 1 270.351 3.760 20 0 CHADMN Cc1cc(C)c(Cc2nc(C3(N)CCCCC3)no2)c(C)c1 ZINC000424338991 330343800 /nfs/dbraw/zinc/34/38/00/330343800.db2.gz BTLLVTKXSXHURO-UHFFFAOYSA-N 0 1 299.418 3.704 20 0 CHADMN Cc1ccccc1C1(c2nc(C3(N)CCCCC3)no2)CC1 ZINC000424346186 330344766 /nfs/dbraw/zinc/34/47/66/330344766.db2.gz OTBDINLUBQXCEF-UHFFFAOYSA-N 0 1 297.402 3.576 20 0 CHADMN Cc1ccc([C@@H]2C[C@H]2c2nc(C3(N)CCCCC3)no2)cc1 ZINC000424348485 330345029 /nfs/dbraw/zinc/34/50/29/330345029.db2.gz OJEWOLOKACARKN-LSDHHAIUSA-N 0 1 297.402 3.767 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H]2CCC[C@@H]2F)c(Cl)c1 ZINC000424349890 330345181 /nfs/dbraw/zinc/34/51/81/330345181.db2.gz NRBMAQBPEUDSJO-BIGNPOOSSA-N 0 1 271.763 3.890 20 0 CHADMN COc1ccc([C@@H](C)N[C@H]2C[C@@H]2C(F)F)c(Cl)c1 ZINC000424351890 330345543 /nfs/dbraw/zinc/34/55/43/330345543.db2.gz PQOLMZPKLRETNB-VHRDEZTHSA-N 0 1 275.726 3.653 20 0 CHADMN Cc1cc(C)cc([C@H](C)NCc2cccc3c2OCO3)c1 ZINC000107319895 330348945 /nfs/dbraw/zinc/34/89/45/330348945.db2.gz HZVHVHYGDBZNHO-AWEZNQCLSA-N 0 1 283.371 3.883 20 0 CHADMN CC[C@@H](C)NC(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000533230575 330354645 /nfs/dbraw/zinc/35/46/45/330354645.db2.gz XSBWIYGMVDEJRK-HUUCEWRRSA-N 0 1 298.430 3.575 20 0 CHADMN CC[C@@H](C)NC(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000533230573 330354667 /nfs/dbraw/zinc/35/46/67/330354667.db2.gz XSBWIYGMVDEJRK-CABCVRRESA-N 0 1 298.430 3.575 20 0 CHADMN CC[C@H](c1ccccc1)N(CC)CC(=O)c1cccn1C ZINC000533256451 330354838 /nfs/dbraw/zinc/35/48/38/330354838.db2.gz YLEVCBNVQUXSNV-MRXNPFEDSA-N 0 1 284.403 3.681 20 0 CHADMN COCCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccccc2)cc1 ZINC000119381825 330374087 /nfs/dbraw/zinc/37/40/87/330374087.db2.gz GCGWZKNEPBIAMV-INIZCTEOSA-N 0 1 299.414 3.905 20 0 CHADMN COc1cccc([C@@H]2CN(CCC(C)(C)C)CCO2)c1 ZINC000119448083 330374429 /nfs/dbraw/zinc/37/44/29/330374429.db2.gz QPKBEJCYQMMCLP-INIZCTEOSA-N 0 1 277.408 3.505 20 0 CHADMN Cn1cccc1[C@@H]1CCCN1Cc1cccc(F)c1 ZINC000057622913 330377223 /nfs/dbraw/zinc/37/72/23/330377223.db2.gz PESWVHSFWVZTFM-INIZCTEOSA-N 0 1 258.340 3.501 20 0 CHADMN Cc1[nH]c(SCCOC(C)C)nc1Cc1ccccc1 ZINC000057650966 330377588 /nfs/dbraw/zinc/37/75/88/330377588.db2.gz IWPKWBQRASCAFN-UHFFFAOYSA-N 0 1 290.432 3.826 20 0 CHADMN Cc1cc(-c2noc(CN3CCCC[C@H]3C)n2)ccc1F ZINC000119762987 330379557 /nfs/dbraw/zinc/37/95/57/330379557.db2.gz XQCNHDAJTWPVGX-GFCCVEGCSA-N 0 1 289.354 3.559 20 0 CHADMN CC[C@H]1CCCC[C@@H]1N(C)Cc1csc(NC(C)=O)n1 ZINC000120737451 330390913 /nfs/dbraw/zinc/39/09/13/330390913.db2.gz ZRMBKLANMFVPGZ-JSGCOSHPSA-N 0 1 295.452 3.502 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(-n3ccnn3)cc2)o1 ZINC000090879266 330396558 /nfs/dbraw/zinc/39/65/58/330396558.db2.gz BXKQXEYHVRBMGP-UONOGXRCSA-N 0 1 296.374 3.581 20 0 CHADMN CN(CC1CCCC1)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000121264416 330398934 /nfs/dbraw/zinc/39/89/34/330398934.db2.gz CGOLSFWQCFZPJD-UHFFFAOYSA-N 0 1 289.423 3.720 20 0 CHADMN COc1ncccc1CN[C@H](c1ccccc1C)C1CC1 ZINC000091283841 330399790 /nfs/dbraw/zinc/39/97/90/330399790.db2.gz OQSOWRPCPIBAPX-KRWDZBQOSA-N 0 1 282.387 3.640 20 0 CHADMN Cc1nc(CN[C@@H]2CCc3ccccc32)sc1C ZINC000094965480 330430084 /nfs/dbraw/zinc/43/00/84/330430084.db2.gz TXAYJWNHBBPQEJ-CQSZACIVSA-N 0 1 258.390 3.537 20 0 CHADMN CCO[C@@H]1C[C@H](NCc2cc(C(CC)CC)no2)C1(C)C ZINC000537295438 330431489 /nfs/dbraw/zinc/43/14/89/330431489.db2.gz LJIJTBNGGBEUOA-JKSUJKDBSA-N 0 1 294.439 3.871 20 0 CHADMN Fc1cccc(CNCc2cc(Cl)cs2)c1 ZINC000086332282 330494829 /nfs/dbraw/zinc/49/48/29/330494829.db2.gz MPZXTWNMJKZCOC-UHFFFAOYSA-N 0 1 255.745 3.830 20 0 CHADMN Cc1nnsc1CN[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000426323411 330504152 /nfs/dbraw/zinc/50/41/52/330504152.db2.gz MZEXPZHNJHOXFG-OAHLLOKOSA-N 0 1 291.395 3.535 20 0 CHADMN Cc1cc(CN[C@@H](c2cccc(F)c2)C2CCCC2)ncn1 ZINC000428345918 330520882 /nfs/dbraw/zinc/52/08/82/330520882.db2.gz DOVRYHUBVXULML-GOSISDBHSA-N 0 1 299.393 3.945 20 0 CHADMN Fc1ccc2nc(CNCc3cccs3)sc2c1 ZINC000428882896 330534142 /nfs/dbraw/zinc/53/41/42/330534142.db2.gz SVCZLLNOFBPMHU-UHFFFAOYSA-N 0 1 278.377 3.787 20 0 CHADMN CC[C@@H]1C[C@]1(NCc1cc(C)ncn1)c1cccc(C)c1 ZINC000428958937 330535430 /nfs/dbraw/zinc/53/54/30/330535430.db2.gz FJRZJJQWXKPILA-CRAIPNDOSA-N 0 1 281.403 3.508 20 0 CHADMN C[C@H](N[C@@H](CO)CC(F)F)c1ccc(Cl)cc1Cl ZINC000429460074 330547359 /nfs/dbraw/zinc/54/73/59/330547359.db2.gz ZPQJUAOIZPAMII-IONNQARKSA-N 0 1 298.160 3.660 20 0 CHADMN Clc1cnc(CN[C@H]2C[C@H](c3ccccc3)C2)s1 ZINC000435782288 330662868 /nfs/dbraw/zinc/66/28/68/330662868.db2.gz PDYDRXDIHRTIBY-HAQNSBGRSA-N 0 1 278.808 3.832 20 0 CHADMN Fc1cccc2[nH]c(CN[C@H]3COc4ccccc43)cc21 ZINC000436233474 330671273 /nfs/dbraw/zinc/67/12/73/330671273.db2.gz SIJDCJHXFOPUJS-INIZCTEOSA-N 0 1 282.318 3.530 20 0 CHADMN CC(C)C[C@@H]1CCCCCN1C(=O)c1c(O)cccc1F ZINC000436495320 330678704 /nfs/dbraw/zinc/67/87/04/330678704.db2.gz XVHGKSWNRFCSEV-ZDUSSCGKSA-N 0 1 293.382 3.962 20 0 CHADMN CC[C@@H](C)CN(C)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000436578643 330680650 /nfs/dbraw/zinc/68/06/50/330680650.db2.gz AROGQZZQRCHYGO-MRVPVSSYSA-N 0 1 290.190 3.817 20 0 CHADMN O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1ccc(O)c(Cl)c1 ZINC000436637127 330681966 /nfs/dbraw/zinc/68/19/66/330681966.db2.gz YWALOAIAQVDDDX-GXTWGEPZSA-N 0 1 293.794 3.744 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H]2C[C@]2(C)C(C)C)c1 ZINC000436648446 330682141 /nfs/dbraw/zinc/68/21/41/330682141.db2.gz UHHRDAVJKVMVHA-SJKOYZFVSA-N 0 1 289.375 3.606 20 0 CHADMN CCCCCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436758759 330684549 /nfs/dbraw/zinc/68/45/49/330684549.db2.gz OOSFMVNIVFLZQA-UHFFFAOYSA-N 0 1 276.163 3.619 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)c2cc3ccccc3o2)c1 ZINC000436862150 330686890 /nfs/dbraw/zinc/68/68/90/330686890.db2.gz MZVCKDLIZAJGFY-UHFFFAOYSA-N 0 1 295.294 3.593 20 0 CHADMN Cc1coc2ccc(NC(=O)c3c(O)cccc3F)cc12 ZINC000436969726 330690134 /nfs/dbraw/zinc/69/01/34/330690134.db2.gz AROWTHJLFMUESR-UHFFFAOYSA-N 0 1 285.274 3.838 20 0 CHADMN CC[C@H](F)CN1CCC(Oc2cc(C)ccc2C)CC1 ZINC000440712767 330754943 /nfs/dbraw/zinc/75/49/43/330754943.db2.gz MUNLIIFSVDLTFX-HNNXBMFYSA-N 0 1 279.399 3.895 20 0 CHADMN Cc1cccc(NC(=O)CN2CCC(C(C)C)CC2)c1C ZINC000441441687 330768841 /nfs/dbraw/zinc/76/88/41/330768841.db2.gz PPHBGIBYHBQUCL-UHFFFAOYSA-N 0 1 288.435 3.610 20 0 CHADMN Cc1cccc(NC(=O)[C@@H](C)N2CCC(C(C)C)CC2)c1 ZINC000441444405 330768933 /nfs/dbraw/zinc/76/89/33/330768933.db2.gz WQYBPVGUKUGRHB-OAHLLOKOSA-N 0 1 288.435 3.690 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@H](CO)c1ccsc1 ZINC000442866558 330788613 /nfs/dbraw/zinc/78/86/13/330788613.db2.gz WRHSHKHHOHDXCX-BXUZGUMPSA-N 0 1 293.457 3.854 20 0 CHADMN C[C@@H](NC1(c2ccc(F)cc2)CC1)c1cccc(O)c1 ZINC000442877452 330789897 /nfs/dbraw/zinc/78/98/97/330789897.db2.gz ZLGADQWWIJUQEL-GFCCVEGCSA-N 0 1 271.335 3.871 20 0 CHADMN CC[C@H](C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21)N(C)C ZINC000444637546 330816077 /nfs/dbraw/zinc/81/60/77/330816077.db2.gz RJGXAADUOIPDND-HUUCEWRRSA-N 0 1 288.435 3.503 20 0 CHADMN FC1(F)CCC[C@H](NCc2nc(-c3ccccc3)c[nH]2)C1 ZINC000447813637 330877572 /nfs/dbraw/zinc/87/75/72/330877572.db2.gz SVNAAEVAJAUWKF-ZDUSSCGKSA-N 0 1 291.345 3.744 20 0 CHADMN FC(F)(F)CC1CCN(Cc2cc3cccnc3o2)CC1 ZINC000449313168 330913839 /nfs/dbraw/zinc/91/38/39/330913839.db2.gz VEUAEMBVCPCCPF-UHFFFAOYSA-N 0 1 298.308 3.992 20 0 CHADMN COc1cc2ccccc2cc1CN[C@@H]1CCC[C@@H]1F ZINC000449345529 330916649 /nfs/dbraw/zinc/91/66/49/330916649.db2.gz WGUAFXUKZBJXLL-JKSUJKDBSA-N 0 1 273.351 3.829 20 0 CHADMN Cc1c(F)cccc1-c1ccc(CN2CC3(CC3)C2)o1 ZINC000449370675 330919559 /nfs/dbraw/zinc/91/95/59/330919559.db2.gz LOJBHPYVKRSBIJ-UHFFFAOYSA-N 0 1 271.335 3.990 20 0 CHADMN Cc1ncccc1CNCc1cc(C2CC2)ccc1F ZINC000449372565 330919870 /nfs/dbraw/zinc/91/98/70/330919870.db2.gz JDYAKEPKZWNXNQ-UHFFFAOYSA-N 0 1 270.351 3.696 20 0 CHADMN c1cn(Cc2ccccc2)c(CNCC2=CCCCC2)n1 ZINC000449378492 330920727 /nfs/dbraw/zinc/92/07/27/330920727.db2.gz WXMIIBFCUAURAV-UHFFFAOYSA-N 0 1 281.403 3.521 20 0 CHADMN C[C@@H]1C[C@H](NC(CF)CF)C[C@@H](c2ccccc2)C1 ZINC000449382489 330921187 /nfs/dbraw/zinc/92/11/87/330921187.db2.gz XDWFFSWSBDKIOZ-QEJZJMRPSA-N 0 1 267.363 3.856 20 0 CHADMN C[C@@H](CCc1ccc(OC(F)F)cc1)NC(CF)CF ZINC000449382041 330921189 /nfs/dbraw/zinc/92/11/89/330921189.db2.gz UYQKTUGQERNWEN-JTQLQIEISA-N 0 1 293.304 3.506 20 0 CHADMN FCC(CF)NCCCCc1cccc(C(F)(F)F)c1 ZINC000449382449 330921199 /nfs/dbraw/zinc/92/11/99/330921199.db2.gz WUOHSDNJFVLUPU-UHFFFAOYSA-N 0 1 295.295 3.925 20 0 CHADMN C[C@H](N[C@H]1CCC[C@@H](c2cccnc2)C1)C(C)(F)F ZINC000449417290 330924121 /nfs/dbraw/zinc/92/41/21/330924121.db2.gz XOWXSPOAYJFYKN-SCRDCRAPSA-N 0 1 268.351 3.741 20 0 CHADMN C[C@@H](CCC(C)(C)C)NCc1ncc(C(F)(F)F)cn1 ZINC000449471780 330928389 /nfs/dbraw/zinc/92/83/89/330928389.db2.gz NZLSQEYKTMFFTD-JTQLQIEISA-N 0 1 289.345 3.800 20 0 CHADMN Cc1cccc(NC[C@H]2CSc3ccccc32)n1 ZINC000450570646 330987240 /nfs/dbraw/zinc/98/72/40/330987240.db2.gz YRKQODPNMSDOKE-LBPRGKRZSA-N 0 1 256.374 3.691 20 0 CHADMN C[C@@H](NCc1nnc(C2CC2)s1)[C@H](C)c1ccccc1 ZINC000450690604 330993873 /nfs/dbraw/zinc/99/38/73/330993873.db2.gz VSQLBNYCVBWKRX-NWDGAFQWSA-N 0 1 287.432 3.697 20 0 CHADMN C[C@H](NCCc1c(Cl)cccc1Cl)c1ccon1 ZINC000450747280 330997654 /nfs/dbraw/zinc/99/76/54/330997654.db2.gz SYFCUCXJEMAJKU-VIFPVBQESA-N 0 1 285.174 3.875 20 0 CHADMN CO[C@H]1CCN(c2cc(C)nc3ccc(F)cc32)C[C@H]1C ZINC000450764626 330998760 /nfs/dbraw/zinc/99/87/60/330998760.db2.gz RAXFJYAKZQVDFV-DIFFPNOSSA-N 0 1 288.366 3.544 20 0 CHADMN Cc1nc(SCC[C@H]2CCOC2)[nH]c1-c1ccccc1 ZINC000450913996 331006885 /nfs/dbraw/zinc/00/68/85/331006885.db2.gz WMAGAKTUSWHJPW-CYBMUJFWSA-N 0 1 288.416 3.904 20 0 CHADMN Cc1ccccc1[C@@]1(F)CCN(CC2CCC(=O)CC2)C1 ZINC000450922689 331007343 /nfs/dbraw/zinc/00/73/43/331007343.db2.gz AQCKJORCBSXDIG-GOSISDBHSA-N 0 1 289.394 3.625 20 0 CHADMN C[C@H](NCC1=CCCCC1)c1c(F)cncc1F ZINC000450988507 331010411 /nfs/dbraw/zinc/01/04/11/331010411.db2.gz BKTVUNUEAWWGEA-JTQLQIEISA-N 0 1 252.308 3.511 20 0 CHADMN C[C@H](NCCC1=CCCCC1)c1c(F)cncc1F ZINC000450993359 331010883 /nfs/dbraw/zinc/01/08/83/331010883.db2.gz VIKNWILIWOWHFR-NSHDSACASA-N 0 1 266.335 3.901 20 0 CHADMN CCSCCN1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000451014629 331011885 /nfs/dbraw/zinc/01/18/85/331011885.db2.gz JNIBMJWKILCFSS-HNNXBMFYSA-N 0 1 289.448 3.761 20 0 CHADMN CCSCCN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451014629 331011886 /nfs/dbraw/zinc/01/18/86/331011886.db2.gz JNIBMJWKILCFSS-HNNXBMFYSA-N 0 1 289.448 3.761 20 0 CHADMN C[C@@]1(F)CCCN([C@H]2CCc3ccc(F)cc32)C1 ZINC000451115962 331016299 /nfs/dbraw/zinc/01/62/99/331016299.db2.gz QCTCFUXNPPDLJM-LSDHHAIUSA-N 0 1 251.320 3.637 20 0 CHADMN CC(=O)c1cccc(C[N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1 ZINC000451362754 331025856 /nfs/dbraw/zinc/02/58/56/331025856.db2.gz QJUVJNNYCKNEMW-XWSJACJDSA-N 0 1 281.399 3.533 20 0 CHADMN C[C@@]12C[N@@H+](Cc3cc(-c4ccco4)on3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451364640 331025923 /nfs/dbraw/zinc/02/59/23/331025923.db2.gz VFSYCLZJRKAPBE-SDCOAXJVSA-N 0 1 296.370 3.579 20 0 CHADMN COc1ccc(Cl)c(CN2CC[C@H](OC)C(C)(C)C2)c1 ZINC000451559481 331034316 /nfs/dbraw/zinc/03/43/16/331034316.db2.gz UGPVOIHSHJYAEK-HNNXBMFYSA-N 0 1 297.826 3.596 20 0 CHADMN C[C@@H](c1noc(-c2ccccc2)n1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000451582683 331035227 /nfs/dbraw/zinc/03/52/27/331035227.db2.gz VJOKWELWCQSRIM-CWRNSKLLSA-N 0 1 297.402 3.920 20 0 CHADMN CCCCOCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451830197 331043998 /nfs/dbraw/zinc/04/39/98/331043998.db2.gz DBCGLSKIHZKXAU-OAHLLOKOSA-N 0 1 263.381 3.623 20 0 CHADMN C[C@@H]1CCC(C)(C)N1Cc1noc(-c2ccsc2)n1 ZINC000452008431 331050324 /nfs/dbraw/zinc/05/03/24/331050324.db2.gz PAEWGEXLOXOLRT-SNVBAGLBSA-N 0 1 277.393 3.561 20 0 CHADMN C[C@H]1CCC(C)(C)N1Cc1cncc(Br)c1 ZINC000452014444 331050406 /nfs/dbraw/zinc/05/04/06/331050406.db2.gz UNIIGROJIVXNGF-JTQLQIEISA-N 0 1 283.213 3.607 20 0 CHADMN Cc1cccc([C@@H](C)NCc2nc3cccnc3s2)c1 ZINC000452076029 331053106 /nfs/dbraw/zinc/05/31/06/331053106.db2.gz CHOTZPIFBDESNA-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@H](CC(C)(C)C)C2)s1 ZINC000452080330 331053294 /nfs/dbraw/zinc/05/32/94/331053294.db2.gz OPZFGYFRXXHRAP-CMPLNLGQSA-N 0 1 267.442 3.666 20 0 CHADMN CC(C)N(Cc1ncc(C2CC2)o1)C1CC(C)(C)C1 ZINC000452098657 331054069 /nfs/dbraw/zinc/05/40/69/331054069.db2.gz ATWONQZTEOHXKK-UHFFFAOYSA-N 0 1 262.397 3.951 20 0 CHADMN CC(C)c1noc(CN(C(C)C)C2CC(C)(C)C2)n1 ZINC000452109156 331054556 /nfs/dbraw/zinc/05/45/56/331054556.db2.gz XKZYESLHOVFJJG-UHFFFAOYSA-N 0 1 265.401 3.592 20 0 CHADMN CCC[C@@H](O)CN[C@H](C)c1cc(Cl)sc1Cl ZINC000163596568 331060554 /nfs/dbraw/zinc/06/05/54/331060554.db2.gz LMKLYHDAVGDYQB-HTQZYQBOSA-N 0 1 282.236 3.867 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1cccc(C)n1 ZINC000194859403 331066303 /nfs/dbraw/zinc/06/63/03/331066303.db2.gz UJJVCWGOUJBHIN-ZDUSSCGKSA-N 0 1 272.417 3.963 20 0 CHADMN CC(C)C[C@@]1(C)CCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000452514339 331067178 /nfs/dbraw/zinc/06/71/78/331067178.db2.gz SPOWORKPKRRSND-MRXNPFEDSA-N 0 1 277.412 3.574 20 0 CHADMN CCC[C@@]1(COC)CCCN1Cc1csc(C2CC2)n1 ZINC000194927129 331078638 /nfs/dbraw/zinc/07/86/38/331078638.db2.gz XHBNTIWRQSMFOY-INIZCTEOSA-N 0 1 294.464 3.802 20 0 CHADMN CCN(CC(=O)Nc1cc(C)cc2ccccc21)C1CC1 ZINC000452850860 331079344 /nfs/dbraw/zinc/07/93/44/331079344.db2.gz QYHWJVLTMVLANM-UHFFFAOYSA-N 0 1 282.387 3.571 20 0 CHADMN C[C@H](NCCc1ccco1)c1ncc(-c2ccccc2)n1C ZINC000453056043 331085116 /nfs/dbraw/zinc/08/51/16/331085116.db2.gz KOZWFVSAADZSNK-AWEZNQCLSA-N 0 1 295.386 3.573 20 0 CHADMN Cc1cccc(C)c1OCCCN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000453082975 331087530 /nfs/dbraw/zinc/08/75/30/331087530.db2.gz JDJPLBZUWNWPQQ-HZPDHXFCSA-N 0 1 299.418 3.564 20 0 CHADMN CC(C)C[C@@H](N[C@@H](C)c1ccncn1)c1cccs1 ZINC000453100579 331089100 /nfs/dbraw/zinc/08/91/00/331089100.db2.gz ZUXFJGOHMNXIRO-GXTWGEPZSA-N 0 1 275.421 3.976 20 0 CHADMN CC[C@@H](NCc1nc2ccc(C)cc2[nH]1)c1ccncc1 ZINC000453115571 331090605 /nfs/dbraw/zinc/09/06/05/331090605.db2.gz IIPAZGNAXLKBDD-CQSZACIVSA-N 0 1 280.375 3.507 20 0 CHADMN C[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1ccncn1 ZINC000453116742 331090797 /nfs/dbraw/zinc/09/07/97/331090797.db2.gz YMEJGAKGZCLSLV-SJCJKPOMSA-N 0 1 285.366 3.808 20 0 CHADMN C[C@@H](N[C@H]1CC[C@@H](C)c2ccccc21)c1ccncn1 ZINC000453161283 331095668 /nfs/dbraw/zinc/09/56/68/331095668.db2.gz AHQDESIRYPMFLT-XNJGSVPQSA-N 0 1 267.376 3.766 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H]1CCc2ccc(C)cc21 ZINC000453161013 331095676 /nfs/dbraw/zinc/09/56/76/331095676.db2.gz PUUSRVNJPXGXJP-CJNGLKHVSA-N 0 1 269.392 3.550 20 0 CHADMN CC[C@H](NCc1ccnc(OC2CCC2)c1)c1ccncc1 ZINC000453184248 331098381 /nfs/dbraw/zinc/09/83/81/331098381.db2.gz UHHPINDYZQINJK-KRWDZBQOSA-N 0 1 297.402 3.649 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H](CC(F)(F)F)C(C)C ZINC000453213986 331102244 /nfs/dbraw/zinc/10/22/44/331102244.db2.gz HNIMAFACLFXKMC-MNOVXSKESA-N 0 1 277.334 3.531 20 0 CHADMN CC[C@H](N[C@@H]1c2ccc(F)cc2O[C@H]1C)c1ccncc1 ZINC000453215381 331102439 /nfs/dbraw/zinc/10/24/39/331102439.db2.gz FQABMTDHQYKZMO-KCTSRDHCSA-N 0 1 286.350 3.784 20 0 CHADMN COCCCC[C@H](N[C@@H](C)c1ccncn1)c1ccccc1 ZINC000453223418 331103386 /nfs/dbraw/zinc/10/33/86/331103386.db2.gz RFOATYIAQCKRKE-YJBOKZPZSA-N 0 1 299.418 3.685 20 0 CHADMN CC[C@H](NCc1c2c(nn1C)CCCC2)c1ccsc1 ZINC000453225779 331103742 /nfs/dbraw/zinc/10/37/42/331103742.db2.gz BULHCUWFBLGZQB-AWEZNQCLSA-N 0 1 289.448 3.601 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H]1F)c1cc(-c2ccccc2)nn1C ZINC000453231586 331104647 /nfs/dbraw/zinc/10/46/47/331104647.db2.gz SWDXJIUCAWMPIN-AEGPPILISA-N 0 1 287.382 3.628 20 0 CHADMN Cn1ccnc1[C@H](N[C@H]1CCCc2c(F)cccc21)C1CC1 ZINC000453238472 331105534 /nfs/dbraw/zinc/10/55/34/331105534.db2.gz QGWRWMKIJSRLKL-DLBZAZTESA-N 0 1 299.393 3.678 20 0 CHADMN CC1(F)CC(N[C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000453240242 331105926 /nfs/dbraw/zinc/10/59/26/331105926.db2.gz SCNKCTVQUFPKLM-ARWYELJZSA-N 0 1 288.341 3.790 20 0 CHADMN CCCCc1ccc([C@H](C)NCc2ccnc(OC)n2)cc1 ZINC000453244318 331106628 /nfs/dbraw/zinc/10/66/28/331106628.db2.gz HETZWYZHGSXSEA-AWEZNQCLSA-N 0 1 299.418 3.679 20 0 CHADMN CC[C@H](NCc1cccc(C(F)(F)F)n1)c1ccncc1 ZINC000453258093 331108372 /nfs/dbraw/zinc/10/83/72/331108372.db2.gz ABNUOPHAIFJCEV-ZDUSSCGKSA-N 0 1 295.308 3.736 20 0 CHADMN CC[C@](C)(CN[C@H](C)c1nc(C(F)(F)F)cs1)OC ZINC000453308094 331114239 /nfs/dbraw/zinc/11/42/39/331114239.db2.gz VLHRONFWFVREGM-LDYMZIIASA-N 0 1 296.358 3.628 20 0 CHADMN C[C@H](NCc1nn(C)cc1Cl)C(C)(C)c1ccccc1 ZINC000453320643 331116376 /nfs/dbraw/zinc/11/63/76/331116376.db2.gz MOQIDSNTWRQLAY-LBPRGKRZSA-N 0 1 291.826 3.529 20 0 CHADMN Cc1cc(C)c(CN[C@@H](CC(C)C)c2ccccn2)cn1 ZINC000453355725 331121463 /nfs/dbraw/zinc/12/14/63/331121463.db2.gz KLAZJFASVMRMMW-SFHVURJKSA-N 0 1 283.419 3.970 20 0 CHADMN C[C@@H](N[C@H]1C[C@@H](O)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000453374723 331124616 /nfs/dbraw/zinc/12/46/16/331124616.db2.gz SUIBQFYSEVJNNW-PRJMDXOYSA-N 0 1 294.609 3.821 20 0 CHADMN COc1cccc([C@H]2C[C@H](N[C@@H](C)c3cc(C)on3)C2)c1 ZINC000453390846 331127351 /nfs/dbraw/zinc/12/73/51/331127351.db2.gz YQJLKOKUKFGSLT-QEJZJMRPSA-N 0 1 286.375 3.588 20 0 CHADMN CCc1ncc(CN[C@H]2CC(C)(C)c3ccccc32)o1 ZINC000453392608 331127585 /nfs/dbraw/zinc/12/75/85/331127585.db2.gz RCHGSFGHNLJJAF-HNNXBMFYSA-N 0 1 270.376 3.749 20 0 CHADMN CCC1CN(Cc2cnc(-c3ccsc3)s2)C1 ZINC000453604143 331136068 /nfs/dbraw/zinc/13/60/68/331136068.db2.gz MALBJDQTVFLQQA-UHFFFAOYSA-N 0 1 264.419 3.713 20 0 CHADMN CCO[C@H]1C[C@@H](Nc2ccc3cnccc3c2)C12CCC2 ZINC000453609563 331136269 /nfs/dbraw/zinc/13/62/69/331136269.db2.gz GBNFLEHVIKDKTO-SJORKVTESA-N 0 1 282.387 3.994 20 0 CHADMN CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000455653614 331174827 /nfs/dbraw/zinc/17/48/27/331174827.db2.gz JNFIXRSGRMTVDT-HNNXBMFYSA-N 0 1 275.392 3.785 20 0 CHADMN O=C(Nc1ccccc1-c1ccccc1)c1ncccc1O ZINC000195656436 331179654 /nfs/dbraw/zinc/17/96/54/331179654.db2.gz MKHZFLZQESVGHA-UHFFFAOYSA-N 0 1 290.322 3.707 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C3=CC[C@@H](C)CC3)ccc12 ZINC000456012790 331182449 /nfs/dbraw/zinc/18/24/49/331182449.db2.gz IASIGIMWGAISBI-SNVBAGLBSA-N 0 1 269.348 3.556 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@@H](C(C)C)[C@H]1C(C)C ZINC000456326421 331190090 /nfs/dbraw/zinc/19/00/90/331190090.db2.gz ISVWEPXXLJMPBR-XJKSGUPXSA-N 0 1 291.439 3.594 20 0 CHADMN CCCCS[C@H](C)C(=O)Nc1ccc(F)c(F)c1O ZINC000457286338 331218156 /nfs/dbraw/zinc/21/81/56/331218156.db2.gz FGBFWHCUKAISLM-MRVPVSSYSA-N 0 1 289.347 3.531 20 0 CHADMN CCCC1(C(=O)Nc2ccc(F)c(F)c2O)CCC1 ZINC000457294082 331218286 /nfs/dbraw/zinc/21/82/86/331218286.db2.gz NBVTUKJGUGFPRY-UHFFFAOYSA-N 0 1 269.291 3.579 20 0 CHADMN CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc(F)c(F)c1O ZINC000457314861 331218812 /nfs/dbraw/zinc/21/88/12/331218812.db2.gz NRWJYEZJYTWARE-LURJTMIESA-N 0 1 297.223 3.588 20 0 CHADMN O=C(c1ccn[nH]1)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000458123246 331243468 /nfs/dbraw/zinc/24/34/68/331243468.db2.gz JOCNWXPNACHHRP-INIZCTEOSA-N 0 1 295.386 3.557 20 0 CHADMN CCOc1cc(CN2CC[C@H]2c2ccccc2)ccc1O ZINC000459280567 331274465 /nfs/dbraw/zinc/27/44/65/331274465.db2.gz NNMAPJPXKYKNGX-INIZCTEOSA-N 0 1 283.371 3.738 20 0 CHADMN c1ccc(C2CCN(Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000459321189 331276144 /nfs/dbraw/zinc/27/61/44/331276144.db2.gz ZFLALLSDVORYOE-UHFFFAOYSA-N 0 1 293.414 3.734 20 0 CHADMN Cc1cc(F)c(CN(C[C@@H]2CCOC2)C2CC2)c(Cl)c1 ZINC000459320468 331276148 /nfs/dbraw/zinc/27/61/48/331276148.db2.gz YUJWIXQCKNIDRV-LBPRGKRZSA-N 0 1 297.801 3.788 20 0 CHADMN CCCN(CCc1cn[nH]c1)Cc1c(F)cccc1Cl ZINC000459329718 331276450 /nfs/dbraw/zinc/27/64/50/331276450.db2.gz QFRXIVRAGZXODI-UHFFFAOYSA-N 0 1 295.789 3.657 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@@H]2C[C@@H](C)O)c(Cl)c1 ZINC000459348934 331277437 /nfs/dbraw/zinc/27/74/37/331277437.db2.gz RHJCGCRJPWUNAT-VXGBXAGGSA-N 0 1 285.790 3.523 20 0 CHADMN Oc1cccc(CN2CCC3(CCC3)C2)c1Br ZINC000459360676 331278079 /nfs/dbraw/zinc/27/80/79/331278079.db2.gz YLOKWLXUCZUHDP-UHFFFAOYSA-N 0 1 296.208 3.531 20 0 CHADMN CC(C)(C)C1=CCN(Cc2cnc(C3CC3)nc2)CC1 ZINC000459372749 331278659 /nfs/dbraw/zinc/27/86/59/331278659.db2.gz ZQCBTVNZPHOACQ-UHFFFAOYSA-N 0 1 271.408 3.532 20 0 CHADMN Cc1nc2scc(C3CC3)n2c1CN1CCCCC1 ZINC000459372722 331278770 /nfs/dbraw/zinc/27/87/70/331278770.db2.gz ZPLXQXSWSBGPCP-UHFFFAOYSA-N 0 1 275.421 3.568 20 0 CHADMN CCn1nncc1CN[C@@H](CC1CCCC1)c1ccccc1 ZINC000459393422 331279748 /nfs/dbraw/zinc/27/97/48/331279748.db2.gz YEQKIDUXFXZEKO-SFHVURJKSA-N 0 1 298.434 3.709 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2cnc(C3CC3)nc2)c1 ZINC000459403243 331280147 /nfs/dbraw/zinc/28/01/47/331280147.db2.gz ORLZGXGHZOPCQQ-CQSZACIVSA-N 0 1 281.403 3.822 20 0 CHADMN Cc1cc(F)c(CNCCc2cscn2)c(Cl)c1 ZINC000459422960 331280679 /nfs/dbraw/zinc/28/06/79/331280679.db2.gz DJPSAOABWNWJOA-UHFFFAOYSA-N 0 1 284.787 3.576 20 0 CHADMN c1coc(-c2nc(CNC3CC4(CCC4)C3)cs2)c1 ZINC000459426082 331280898 /nfs/dbraw/zinc/28/08/98/331280898.db2.gz CUOBKMVAXGVNQC-UHFFFAOYSA-N 0 1 274.389 3.825 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1Cc1cnc(C2CC2)nc1 ZINC000459474476 331283692 /nfs/dbraw/zinc/28/36/92/331283692.db2.gz FDBUPHGZPHDDAF-GOSISDBHSA-N 0 1 293.414 3.691 20 0 CHADMN CCOC(=O)C(CC)(CC)NCC1CCC(F)(F)CC1 ZINC000459492265 331284791 /nfs/dbraw/zinc/28/47/91/331284791.db2.gz WEPGJDFFHYZYDZ-UHFFFAOYSA-N 0 1 291.382 3.523 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1cnc(C2CC2)nc1 ZINC000459502312 331285174 /nfs/dbraw/zinc/28/51/74/331285174.db2.gz GLBWKQHQEHUXFH-XNTDXEJSSA-N 0 1 293.414 3.889 20 0 CHADMN Cc1cc(CNC2CC(c3ccc(F)c(Cl)c3)C2)no1 ZINC000459540041 331286691 /nfs/dbraw/zinc/28/66/91/331286691.db2.gz XGNZKIFXADQKPY-UHFFFAOYSA-N 0 1 294.757 3.811 20 0 CHADMN Cc1cccc(CN2Cc3sccc3CC2(C)C)n1 ZINC000459586450 331289566 /nfs/dbraw/zinc/28/95/66/331289566.db2.gz UBVNNGNAKRIBAE-UHFFFAOYSA-N 0 1 272.417 3.788 20 0 CHADMN c1nc([C@H]2CCCO2)sc1CN1CC(C2CCCC2)C1 ZINC000459615402 331290672 /nfs/dbraw/zinc/29/06/72/331290672.db2.gz OZNFCJXANWQJCP-OAHLLOKOSA-N 0 1 292.448 3.617 20 0 CHADMN CC(C)(C)C1CN(Cc2conc2Cc2ccccc2)C1 ZINC000459632427 331291234 /nfs/dbraw/zinc/29/12/34/331291234.db2.gz CUAFMWNTOKZEMH-UHFFFAOYSA-N 0 1 284.403 3.743 20 0 CHADMN CCC1(c2ccccc2)CN(Cc2cnn(C(C)C)c2)C1 ZINC000459738744 331297203 /nfs/dbraw/zinc/29/72/03/331297203.db2.gz BNDDKQCVZVGNNQ-UHFFFAOYSA-N 0 1 283.419 3.628 20 0 CHADMN CN(Cc1conc1Cc1ccccc1)C1CC(C)(C)C1 ZINC000459740175 331297316 /nfs/dbraw/zinc/29/73/16/331297316.db2.gz TYEUMWBMSKAWLD-UHFFFAOYSA-N 0 1 284.403 3.886 20 0 CHADMN C[C@@H](N[C@H]1CCC[C@@H]2C[C@@H]21)c1ncc(C(C)(C)C)o1 ZINC000459765134 331299430 /nfs/dbraw/zinc/29/94/30/331299430.db2.gz DCMJAAROTKJJFI-NDBYEHHHSA-N 0 1 262.397 3.811 20 0 CHADMN CCS[C@@H](C)c1noc(CNC2(C3CCC3)CCC2)n1 ZINC000459777866 331300326 /nfs/dbraw/zinc/30/03/26/331300326.db2.gz SPOJPFVQCLRNEM-NSHDSACASA-N 0 1 295.452 3.696 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@H]2N[C@H](C)c1ccn(C)n1 ZINC000459785799 331300856 /nfs/dbraw/zinc/30/08/56/331300856.db2.gz KIQMXLMRRKJUDL-RHSMWYFYSA-N 0 1 283.419 3.765 20 0 CHADMN Cc1cnc(CN2CC3(CCCCC3)[C@H]2C(C)C)n1C ZINC000459790938 331301059 /nfs/dbraw/zinc/30/10/59/331301059.db2.gz RBMDJOXVCPBOJI-MRXNPFEDSA-N 0 1 275.440 3.519 20 0 CHADMN Cc1ccc2ccccc2c1CN[C@H](C)c1ccn(C)n1 ZINC000459793200 331301192 /nfs/dbraw/zinc/30/11/92/331301192.db2.gz OOEGBBVZUSSHBU-CQSZACIVSA-N 0 1 279.387 3.733 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)[C@H](c1ccccc1)C1CC1 ZINC000498178374 331311075 /nfs/dbraw/zinc/31/10/75/331311075.db2.gz MOHLQJHXSQUXCU-QGZVFWFLSA-N 0 1 291.354 3.695 20 0 CHADMN FC(F)c1ccc(CN2CCOCC23CCCC3)cc1 ZINC000461359796 331312557 /nfs/dbraw/zinc/31/25/57/331312557.db2.gz JPNAUEGZFWXVIK-UHFFFAOYSA-N 0 1 281.346 3.769 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@@H](C)C3(CCCCC3)C2)n1 ZINC000462446463 331322235 /nfs/dbraw/zinc/32/22/35/331322235.db2.gz JYOCQROUZZSBFB-KGLIPLIRSA-N 0 1 291.439 3.985 20 0 CHADMN COc1ccc(F)cc1CNCCO[C@H]1CCCC[C@H]1C ZINC000462788466 331329054 /nfs/dbraw/zinc/32/90/54/331329054.db2.gz BTBQJZAHRHGWQX-CJNGLKHVSA-N 0 1 295.398 3.519 20 0 CHADMN CCN(Cc1c(Cl)oc2ccccc21)C[C@@H](C)OC ZINC000462826595 331331440 /nfs/dbraw/zinc/33/14/40/331331440.db2.gz MIYRFALNJSGJEK-LLVKDONJSA-N 0 1 281.783 3.943 20 0 CHADMN CC(C)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCOC1 ZINC000462853826 331332772 /nfs/dbraw/zinc/33/27/72/331332772.db2.gz PYBRJJANMSSZMV-ZDUSSCGKSA-N 0 1 288.218 3.993 20 0 CHADMN c1nc(N[C@H]2[C@H]3CCO[C@H]3C23CCCC3)cc2c1CCCC2 ZINC000462938460 331335329 /nfs/dbraw/zinc/33/53/29/331335329.db2.gz JCTINDHASWUFCI-BPQIPLTHSA-N 0 1 298.430 3.720 20 0 CHADMN CCOC[C@H]1CCC[C@@H]1Nc1cc2c(cn1)CCCC2 ZINC000462942923 331335544 /nfs/dbraw/zinc/33/55/44/331335544.db2.gz CUDQYCQJIIKKKD-CVEARBPZSA-N 0 1 274.408 3.578 20 0 CHADMN CC(C)[C@H]1C[C@H](Nc2cc3c(cn2)CCCC3)CCO1 ZINC000462949919 331335758 /nfs/dbraw/zinc/33/57/58/331335758.db2.gz BHZINFFYZDPUNP-HZPDHXFCSA-N 0 1 274.408 3.576 20 0 CHADMN c1nc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc2c1CCCC2 ZINC000462956488 331335956 /nfs/dbraw/zinc/33/59/56/331335956.db2.gz JCTINDHASWUFCI-NXHRZFHOSA-N 0 1 298.430 3.720 20 0 CHADMN COCC[C@@H]1CCC[C@@H]1Nc1cc2c(cn1)CCCC2 ZINC000462958622 331335973 /nfs/dbraw/zinc/33/59/73/331335973.db2.gz QQEMDJYTZKPRSD-BBRMVZONSA-N 0 1 274.408 3.578 20 0 CHADMN FCC[C@@H]1CCC[C@@H]1Nc1cc2c(cn1)CCCC2 ZINC000462961588 331336055 /nfs/dbraw/zinc/33/60/55/331336055.db2.gz FVDUBIPCSYNTGV-WFASDCNBSA-N 0 1 262.372 3.901 20 0 CHADMN CC1(C)[C@H](Nc2cc3c(cn2)CCCC3)[C@H]2CCCO[C@@H]21 ZINC000462962727 331336160 /nfs/dbraw/zinc/33/61/60/331336160.db2.gz JAFHBNSIUPMXGS-OIISXLGYSA-N 0 1 286.419 3.576 20 0 CHADMN C(=Cc1ccccc1)c1n[nH]c(SCC2CCC2)n1 ZINC000463255672 331344497 /nfs/dbraw/zinc/34/44/97/331344497.db2.gz JADIISIVGVAKLV-KTKRTIGZSA-N 0 1 271.389 3.867 20 0 CHADMN CCN(Cc1nnc(-c2ccc(C)cc2)o1)CC(C)(C)C ZINC000463376269 331346911 /nfs/dbraw/zinc/34/69/11/331346911.db2.gz PGMUZMIUNZOSMJ-UHFFFAOYSA-N 0 1 287.407 3.913 20 0 CHADMN CC[C@H](F)CN(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463439137 331347806 /nfs/dbraw/zinc/34/78/06/331347806.db2.gz ZQONTICPCSSQAC-AXFHLTTASA-N 0 1 255.299 3.787 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000464775578 331367342 /nfs/dbraw/zinc/36/73/42/331367342.db2.gz MLKBKEJKOZYBQQ-KRWDZBQOSA-N 0 1 285.391 3.749 20 0 CHADMN C[C@H]1CN(Cc2csc(Cc3ccccc3)n2)C[C@@H]1C ZINC000464838529 331370412 /nfs/dbraw/zinc/37/04/12/331370412.db2.gz NPCRDDXZZGVORV-KBPBESRZSA-N 0 1 286.444 3.822 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2C[C@H](C)[C@@H](C)C2)c(Cl)c1 ZINC000464838904 331370470 /nfs/dbraw/zinc/37/04/70/331370470.db2.gz WNNUGAGXBKYPAF-AVGNSLFASA-N 0 1 294.826 3.563 20 0 CHADMN C[C@H]1CN(Cc2csc(Cc3ccccc3)n2)C[C@H]1C ZINC000464838530 331370508 /nfs/dbraw/zinc/37/05/08/331370508.db2.gz NPCRDDXZZGVORV-OKILXGFUSA-N 0 1 286.444 3.822 20 0 CHADMN CC(C)CCc1nc(CN2C[C@H](C)[C@H](C)C2)cs1 ZINC000464846123 331370882 /nfs/dbraw/zinc/37/08/82/331370882.db2.gz QTHSOBVZWVORBA-BETUJISGSA-N 0 1 266.454 3.820 20 0 CHADMN CSCCCN1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000464893159 331372948 /nfs/dbraw/zinc/37/29/48/331372948.db2.gz IWIVQVNBFJZFQW-DOTOQJQBSA-N 0 1 293.476 3.818 20 0 CHADMN CO[C@@]1(C)C[C@H](NCc2c(F)cccc2Cl)C1(C)C ZINC000465009258 331375750 /nfs/dbraw/zinc/37/57/50/331375750.db2.gz COLXSAZDMRGKBJ-ZFWWWQNUSA-N 0 1 285.790 3.772 20 0 CHADMN Cc1ccc2nc(CN[C@@H](C)c3ccccc3F)[nH]c2c1 ZINC000465400339 331382740 /nfs/dbraw/zinc/38/27/40/331382740.db2.gz FHBJJRBRBBUTDF-LBPRGKRZSA-N 0 1 283.350 3.861 20 0 CHADMN CN(C)Cc1cc(NC2CCCC2)ccc1Cl ZINC000466419416 331396094 /nfs/dbraw/zinc/39/60/94/331396094.db2.gz LJSJUWUJYVREMD-UHFFFAOYSA-N 0 1 252.789 3.756 20 0 CHADMN Cc1ccc(F)c(CNCc2cccc3cc[nH]c32)c1 ZINC000466903036 331407547 /nfs/dbraw/zinc/40/75/47/331407547.db2.gz NOGMQQSYZCIKPQ-UHFFFAOYSA-N 0 1 268.335 3.905 20 0 CHADMN Cc1ccccc1NC(=O)CN1CC(C)(C)CC(C)(C)C1 ZINC000466938229 331408722 /nfs/dbraw/zinc/40/87/22/331408722.db2.gz LJLJWIZAZGUGCD-UHFFFAOYSA-N 0 1 288.435 3.692 20 0 CHADMN Cc1cc(NC[C@H](O)C2CC2)c2cc(Cl)cc(C)c2n1 ZINC000467018710 331410569 /nfs/dbraw/zinc/41/05/69/331410569.db2.gz NVIVFDVSEWKHJW-HNNXBMFYSA-N 0 1 290.794 3.688 20 0 CHADMN C[C@@H](Nc1ccc(Cl)c(CN(C)C)c1)C1CCOCC1 ZINC000467439476 331419348 /nfs/dbraw/zinc/41/93/48/331419348.db2.gz VLEAUHNYUGDYJG-GFCCVEGCSA-N 0 1 296.842 3.629 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H](C)CCc2ccc(F)cc2)o1 ZINC000468514423 331436389 /nfs/dbraw/zinc/43/63/89/331436389.db2.gz IIVNXEZXCWUCAD-DGCLKSJQSA-N 0 1 276.355 3.794 20 0 CHADMN CC(C)(CF)NCc1cccc(OC2CCCC2)c1 ZINC000472135418 331529555 /nfs/dbraw/zinc/52/95/55/331529555.db2.gz YRDJEMDBBHPDDB-UHFFFAOYSA-N 0 1 265.372 3.846 20 0 CHADMN FC(F)C1(CNCc2csc(-c3ccccc3)n2)CC1 ZINC000475192590 331617238 /nfs/dbraw/zinc/61/72/38/331617238.db2.gz RJZFZZSTEDFPSD-UHFFFAOYSA-N 0 1 294.370 3.945 20 0 CHADMN CCCn1cc(CNCc2cccc(C(C)C)c2)cn1 ZINC000479401847 331726984 /nfs/dbraw/zinc/72/69/84/331726984.db2.gz ILJNTEBKAJEFSG-UHFFFAOYSA-N 0 1 271.408 3.706 20 0 CHADMN FC1(c2cccc(Cl)c2)CC(NCc2cscn2)C1 ZINC000481812876 331816216 /nfs/dbraw/zinc/81/62/16/331816216.db2.gz DQTKDSQZIWFVNY-UHFFFAOYSA-N 0 1 296.798 3.914 20 0 CHADMN CC(C)[C@H]1CCC[C@H]1N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000483656465 331880844 /nfs/dbraw/zinc/88/08/44/331880844.db2.gz RQKFCNRWDHOMKU-YNEHKIRRSA-N 0 1 279.428 3.842 20 0 CHADMN CCc1noc(C)c1CN[C@]1(C)CCCc2ccccc21 ZINC000483817594 331885193 /nfs/dbraw/zinc/88/51/93/331885193.db2.gz NRKNQLFVFRCZRG-GOSISDBHSA-N 0 1 284.403 3.887 20 0 CHADMN COC[C@@H](NCc1cc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000486684542 331941840 /nfs/dbraw/zinc/94/18/40/331941840.db2.gz NTTQDBATEJVHBR-GOSISDBHSA-N 0 1 298.361 3.784 20 0 CHADMN CC(C)c1nnc(CN[C@H]2CS[C@H](C(C)(C)C)C2)s1 ZINC000488446413 332009651 /nfs/dbraw/zinc/00/96/51/332009651.db2.gz KGZGDSZYRKNSJG-MNOVXSKESA-N 0 1 299.509 3.671 20 0 CHADMN CCn1nc(C)c(CN(C)Cc2ccc(F)cc2C)c1C ZINC000488569614 332017963 /nfs/dbraw/zinc/01/79/63/332017963.db2.gz DHMXNEVXWZGFAY-UHFFFAOYSA-N 0 1 289.398 3.599 20 0 CHADMN CCCN(CC)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000488796945 332026044 /nfs/dbraw/zinc/02/60/44/332026044.db2.gz YUNRMUINIBGMLH-GFCCVEGCSA-N 0 1 291.370 3.977 20 0 CHADMN C[C@@H](CC(=O)Nc1nc2ccc(F)cc2[nH]1)C(C)(C)C ZINC000488912496 332033382 /nfs/dbraw/zinc/03/33/82/332033382.db2.gz GPOJIWSJHZMGLX-VIFPVBQESA-N 0 1 277.343 3.713 20 0 CHADMN O=C(Nc1nc2ccc(F)cc2[nH]1)[C@@H]1CC12CCCCC2 ZINC000488955106 332035215 /nfs/dbraw/zinc/03/52/15/332035215.db2.gz ZBNKFTMIURZSAY-NSHDSACASA-N 0 1 287.338 3.611 20 0 CHADMN Cc1ccccc1C[C@@H](C)N(C)Cc1nccn1C(F)F ZINC000489285022 332045333 /nfs/dbraw/zinc/04/53/33/332045333.db2.gz CYKZUTUZFYWLMD-CYBMUJFWSA-N 0 1 293.361 3.650 20 0 CHADMN CC(C)c1ccc([C@@H]2CCCCN2C(=O)c2cnc[nH]2)cc1 ZINC000489491729 332056265 /nfs/dbraw/zinc/05/62/65/332056265.db2.gz WOCXWAKJKBKGPZ-KRWDZBQOSA-N 0 1 297.402 3.901 20 0 CHADMN Cc1nc(CN2CC[C@H](c3cccc(F)c3)C2)c(C)s1 ZINC000489882791 332071688 /nfs/dbraw/zinc/07/16/88/332071688.db2.gz HWTYVTLYZHTUKS-AWEZNQCLSA-N 0 1 290.407 3.889 20 0 CHADMN CN(Cc1ncc(C(C)(C)C)o1)C1(C)CCCC1 ZINC000489902371 332072333 /nfs/dbraw/zinc/07/23/33/332072333.db2.gz ZOLSMWXESUZRHZ-UHFFFAOYSA-N 0 1 250.386 3.737 20 0 CHADMN CCC[C@H](CC)NC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC000489982762 332075664 /nfs/dbraw/zinc/07/56/64/332075664.db2.gz YJCFNANNGKNNLK-JTQLQIEISA-N 0 1 279.771 3.525 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)N(Cc3nc(C(C)C)no3)C2)cc1 ZINC000490091688 332081064 /nfs/dbraw/zinc/08/10/64/332081064.db2.gz MTIYMTJZWFNBOO-GDBMZVCRSA-N 0 1 299.418 3.879 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)N(Cc3nc(C(C)C)no3)C2)cc1 ZINC000490091690 332081172 /nfs/dbraw/zinc/08/11/72/332081172.db2.gz MTIYMTJZWFNBOO-HOCLYGCPSA-N 0 1 299.418 3.879 20 0 CHADMN Cc1ccccc1Cc1nnc(CN(C)C2(C)CCCC2)o1 ZINC000490100452 332081365 /nfs/dbraw/zinc/08/13/65/332081365.db2.gz HTAGRAIZTFBZSS-UHFFFAOYSA-N 0 1 299.418 3.733 20 0 CHADMN CCC[C@H](C)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000490380234 332087807 /nfs/dbraw/zinc/08/78/07/332087807.db2.gz VSZAFIDMMUFRQU-QMMMGPOBSA-N 0 1 299.296 3.956 20 0 CHADMN CCc1ccc(-c2noc(CN3CC[C@H](C4CC4)C3)n2)cc1 ZINC000491196311 332164004 /nfs/dbraw/zinc/16/40/04/332164004.db2.gz QGRIGLJYPJTORL-INIZCTEOSA-N 0 1 297.402 3.531 20 0 CHADMN Cc1cc([C@H]2CN(CCc3ccccc3)CCO2)ccc1F ZINC000491232624 332171352 /nfs/dbraw/zinc/17/13/52/332171352.db2.gz PMEXCZLJKJGCHR-LJQANCHMSA-N 0 1 299.389 3.750 20 0 CHADMN C[C@@H]1CCN(c2ccnc3ccccc32)CC1(F)F ZINC000491608019 332242476 /nfs/dbraw/zinc/24/24/76/332242476.db2.gz TVHHGPSTXJQDTI-LLVKDONJSA-N 0 1 262.303 3.716 20 0 CHADMN C[C@H](NCc1ccnc(C(F)(F)F)c1)c1ccoc1 ZINC000580525021 335097485 /nfs/dbraw/zinc/09/74/85/335097485.db2.gz WLIFUTPGXMYNGI-VIFPVBQESA-N 0 1 270.254 3.544 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1cc(C)nc(C)c1 ZINC000575371823 335098823 /nfs/dbraw/zinc/09/88/23/335098823.db2.gz OCJLIDNZLAQTIF-OAHLLOKOSA-N 0 1 284.403 3.866 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000172302187 335100221 /nfs/dbraw/zinc/10/02/21/335100221.db2.gz PDYGLDIXIAUCFJ-CYBMUJFWSA-N 0 1 289.423 3.576 20 0 CHADMN CC[C@@H](NC(=O)C=CC(C)(C)C)c1nc2ccccc2[nH]1 ZINC000491872113 332373045 /nfs/dbraw/zinc/37/30/45/332373045.db2.gz ZYSRDUKEJYVHSO-NLYDNYMLSA-N 0 1 285.391 3.733 20 0 CHADMN O=C(/C=C\SCc1ccco1)Nc1ccc2nc[nH]c2c1 ZINC000492058206 332380994 /nfs/dbraw/zinc/38/09/94/332380994.db2.gz ONMUJOZZQUCDAP-ALCCZGGFSA-N 0 1 299.355 3.542 20 0 CHADMN CC(C)(C)c1ccc(CNCc2cncc(F)c2)cc1 ZINC000494543110 332477639 /nfs/dbraw/zinc/47/76/39/332477639.db2.gz AOLAXVQESSJFMU-UHFFFAOYSA-N 0 1 272.367 3.808 20 0 CHADMN C[C@@H]1C[C@H](N[C@H](c2nccs2)c2ccccc2)[C@H]1C ZINC000494921227 332491535 /nfs/dbraw/zinc/49/15/35/332491535.db2.gz UZBPZEGAPJZDNT-DHMWGJHJSA-N 0 1 272.417 3.867 20 0 CHADMN CC[C@@H]1C[C@]1(NCc1cnn(CC)c1)c1cccc(C)c1 ZINC000500504664 332611450 /nfs/dbraw/zinc/61/14/50/332611450.db2.gz UGUKUSIMGZBGHI-SJLPKXTDSA-N 0 1 283.419 3.626 20 0 CHADMN C=Cn1cc(CN[C@@]2(c3cccc(C)c3)C[C@@H]2CC)cn1 ZINC000500513771 332612067 /nfs/dbraw/zinc/61/20/67/332612067.db2.gz OGASHPRPTXPHGT-WMZOPIPTSA-N 0 1 281.403 3.707 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCS[C@@H](C)CC1 ZINC000249118993 334328356 /nfs/dbraw/zinc/32/83/56/334328356.db2.gz WQGREWLOAGYLMW-WDEREUQCSA-N 0 1 271.376 3.853 20 0 CHADMN C[C@H](NC/C=C\c1ccccc1)c1nc2c(s1)CCC2 ZINC000502044181 332646437 /nfs/dbraw/zinc/64/64/37/332646437.db2.gz RCWKNBAUEGDFJO-XURPKSDJSA-N 0 1 284.428 3.996 20 0 CHADMN CCCCOCCNCc1ccc(Oc2ccccc2)o1 ZINC000503587037 332693607 /nfs/dbraw/zinc/69/36/07/332693607.db2.gz QECOKYBCUYAIIQ-UHFFFAOYSA-N 0 1 289.375 3.978 20 0 CHADMN Cn1c2ccccc2nc1CN1CCC(C(C)(C)C)CC1 ZINC000512531817 332972287 /nfs/dbraw/zinc/97/22/87/332972287.db2.gz JJKXWZQRYGTEEQ-UHFFFAOYSA-N 0 1 285.435 3.831 20 0 CHADMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(Br)o1 ZINC000306933526 333010992 /nfs/dbraw/zinc/01/09/92/333010992.db2.gz FZGRULRTTXMHLZ-GXSJLCMTSA-N 0 1 272.186 3.663 20 0 CHADMN CC[C@@H]1[C@@H](C)CCN1Cc1ccc(Br)o1 ZINC000306933526 333010993 /nfs/dbraw/zinc/01/09/93/333010993.db2.gz FZGRULRTTXMHLZ-GXSJLCMTSA-N 0 1 272.186 3.663 20 0 CHADMN C[C@H]1CN(Cc2ccc(Br)o2)C(C)(C)C1 ZINC000307050568 333012089 /nfs/dbraw/zinc/01/20/89/333012089.db2.gz LVGHABILUUPNOW-SECBINFHSA-N 0 1 272.186 3.663 20 0 CHADMN COc1ccc(CN(C)Cc2cc(F)cc(F)c2)cc1C ZINC000513097155 333003958 /nfs/dbraw/zinc/00/39/58/333003958.db2.gz ZJXMTLQKURJJSW-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN Cc1ccc2nc(CNC(=O)CCCC(C)(C)C)[nH]c2c1 ZINC000174909450 333010236 /nfs/dbraw/zinc/01/02/36/333010236.db2.gz VZQNTSQMSZDKCI-UHFFFAOYSA-N 0 1 287.407 3.704 20 0 CHADMN C[C@H](O)[C@H]1CCCCN1Cc1cccc(Cl)c1Cl ZINC000513280582 333012153 /nfs/dbraw/zinc/01/21/53/333012153.db2.gz BEHSEYUQBQENMT-GXFFZTMASA-N 0 1 288.218 3.729 20 0 CHADMN CCC[C@@]1(COC)CCC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000513286196 333012486 /nfs/dbraw/zinc/01/24/86/333012486.db2.gz IZEDZZMOLGBFOS-INIZCTEOSA-N 0 1 297.826 3.827 20 0 CHADMN CCC[C@@]1(COC)CCC[N@H+]1Cc1cccc([O-])c1Cl ZINC000513286196 333012487 /nfs/dbraw/zinc/01/24/87/333012487.db2.gz IZEDZZMOLGBFOS-INIZCTEOSA-N 0 1 297.826 3.827 20 0 CHADMN Fc1ccc(F)c2c1CC[C@@H]2NCCOC1CCCC1 ZINC000513342845 333015091 /nfs/dbraw/zinc/01/50/91/333015091.db2.gz KEKJXGYRDZEBRM-HNNXBMFYSA-N 0 1 281.346 3.501 20 0 CHADMN CCc1ccc([C@H]2CCCN(Cc3nccc(C)n3)C2)cc1 ZINC000513417590 333018394 /nfs/dbraw/zinc/01/83/94/333018394.db2.gz WVRJTSXYPHKOQI-SFHVURJKSA-N 0 1 295.430 3.727 20 0 CHADMN CCCCCN(C(=O)c1cc(C)[nH]n1)[C@@H](C)CCC ZINC000513461503 333021320 /nfs/dbraw/zinc/02/13/20/333021320.db2.gz YMMXEGRCNIUDEH-ZDUSSCGKSA-N 0 1 265.401 3.539 20 0 CHADMN CC(C)(C)c1ccc(-c2ccc(CNC3(CO)CC3)o2)cc1 ZINC000513512142 333023709 /nfs/dbraw/zinc/02/37/09/333023709.db2.gz NHIRPSBPWIDMCM-UHFFFAOYSA-N 0 1 299.414 3.859 20 0 CHADMN Cc1cccn2c(CN3CCCc4ccccc4C3)cnc12 ZINC000513737230 333036735 /nfs/dbraw/zinc/03/67/35/333036735.db2.gz XPGACKKSWCPYLU-UHFFFAOYSA-N 0 1 291.398 3.591 20 0 CHADMN C[C@H]1CN(Cc2csc3ccccc23)CC(C)(C)O1 ZINC000513783912 333038901 /nfs/dbraw/zinc/03/89/01/333038901.db2.gz HQFFUXQVBYKTFW-LBPRGKRZSA-N 0 1 275.417 3.901 20 0 CHADMN COc1cccc([C@H](C)N(C)Cc2ccoc2C)c1 ZINC000176890563 333049883 /nfs/dbraw/zinc/04/98/83/333049883.db2.gz GGRHCWPOBZGKJS-LBPRGKRZSA-N 0 1 259.349 3.790 20 0 CHADMN CC1(C)C[N@H+](C(c2ccccc2)c2ccccc2)CCO1 ZINC000513966638 333056038 /nfs/dbraw/zinc/05/60/38/333056038.db2.gz VPTXHNVPFKKDRT-UHFFFAOYSA-N 0 1 281.399 3.887 20 0 CHADMN CC1(C)CN(C(c2ccccc2)c2ccccc2)CCO1 ZINC000513966638 333056040 /nfs/dbraw/zinc/05/60/40/333056040.db2.gz VPTXHNVPFKKDRT-UHFFFAOYSA-N 0 1 281.399 3.887 20 0 CHADMN Cc1cccc(C)c1OCCN(C)CCC(F)(F)F ZINC000514006279 333059421 /nfs/dbraw/zinc/05/94/21/333059421.db2.gz FHSZXLZHKPOGPD-UHFFFAOYSA-N 0 1 275.314 3.566 20 0 CHADMN C[C@H]1CCCC[C@H]1OCC[N@H+]1CCc2ccccc2C1 ZINC000514070120 333063959 /nfs/dbraw/zinc/06/39/59/333063959.db2.gz PBEAPCWHVWCWOF-MAUKXSAKSA-N 0 1 273.420 3.640 20 0 CHADMN C[C@@H]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1C ZINC000177883450 333065146 /nfs/dbraw/zinc/06/51/46/333065146.db2.gz RVVHRGWALYPBIM-GHMZBOCLSA-N 0 1 291.782 3.620 20 0 CHADMN CO[C@H]1CCCN([C@@H](C)c2cccc(Br)c2)C1 ZINC000178408646 333072184 /nfs/dbraw/zinc/07/21/84/333072184.db2.gz BXUKJRGHXDAONI-FZMZJTMJSA-N 0 1 298.224 3.621 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)N1CC[C@@](C)(O)C1 ZINC000178728282 333077191 /nfs/dbraw/zinc/07/71/91/333077191.db2.gz ISRFBWBMXBKSOQ-NOZJJQNGSA-N 0 1 274.191 3.511 20 0 CHADMN CC(C)[C@H]1CN([C@@H](C)c2c(F)cccc2F)CCCO1 ZINC000516788911 333082591 /nfs/dbraw/zinc/08/25/91/333082591.db2.gz BKUXXZDBOUZNRF-SWLSCSKDSA-N 0 1 283.362 3.773 20 0 CHADMN C[C@H]1CN(CCOc2ccc3ccccc3c2)CC(C)(C)O1 ZINC000516871711 333084865 /nfs/dbraw/zinc/08/48/65/333084865.db2.gz RWHPWTDRWMIFGH-HNNXBMFYSA-N 0 1 299.414 3.718 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1ncc(C(C)(C)C)o1 ZINC000516938870 333087160 /nfs/dbraw/zinc/08/71/60/333087160.db2.gz CMJVOSXCNLZMKT-GFCCVEGCSA-N 0 1 252.402 3.983 20 0 CHADMN CC1(C)C[N@@H+](Cc2cc(F)cc(F)c2)[C@@H]1C1CC1 ZINC000517001962 333089318 /nfs/dbraw/zinc/08/93/18/333089318.db2.gz AOWYVRDYGWYYML-CQSZACIVSA-N 0 1 251.320 3.585 20 0 CHADMN CC1(C)CN(Cc2cc(F)cc(F)c2)[C@@H]1C1CC1 ZINC000517001962 333089320 /nfs/dbraw/zinc/08/93/20/333089320.db2.gz AOWYVRDYGWYYML-CQSZACIVSA-N 0 1 251.320 3.585 20 0 CHADMN CC[N@@H+](C[C@H](C)OC)[C@@H](C)c1ccccc1Cl ZINC000517052371 333091205 /nfs/dbraw/zinc/09/12/05/333091205.db2.gz WPESOPIZTGAQLJ-RYUDHWBXSA-N 0 1 255.789 3.758 20 0 CHADMN CC(C)(C)CCC[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1 ZINC000517382393 333098360 /nfs/dbraw/zinc/09/83/60/333098360.db2.gz XCTGIQSYDYAHLN-UHFFFAOYSA-N 0 1 281.371 3.539 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1ccc2c(n1)CCC2 ZINC000520988451 333109476 /nfs/dbraw/zinc/10/94/76/333109476.db2.gz ZORMBJXXVNNLJM-ZDUSSCGKSA-N 0 1 284.378 3.902 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cncc(C)c2)cc1F ZINC000184261735 333126115 /nfs/dbraw/zinc/12/61/15/333126115.db2.gz YXUHAFCPCJLRHT-OLZOCXBDSA-N 0 1 288.366 3.950 20 0 CHADMN Cc1cncc([C@@H](C)NCc2ccc(Cl)s2)c1 ZINC000184313026 333126783 /nfs/dbraw/zinc/12/67/83/333126783.db2.gz OIYCKFDFYGWXHJ-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN CC/C=C/CCN(C)CC(=O)Nc1cccc(C)c1C ZINC000184432422 333128702 /nfs/dbraw/zinc/12/87/02/333128702.db2.gz XITPWHYKEJLULU-VOTSOKGWSA-N 0 1 274.408 3.530 20 0 CHADMN C[C@@H]1CCCC[C@@H]1NCc1nc(CCc2ccccc2)no1 ZINC000184587927 333129971 /nfs/dbraw/zinc/12/99/71/333129971.db2.gz HPYPRMZTMQCTDR-ZBFHGGJFSA-N 0 1 299.418 3.523 20 0 CHADMN CC(C)C[C@@H](C)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000184665120 333131343 /nfs/dbraw/zinc/13/13/43/333131343.db2.gz LTEOULYECNBADK-NEPJUHHUSA-N 0 1 291.370 3.961 20 0 CHADMN OCC[C@H](NCc1cccc2ccccc21)c1ccco1 ZINC000185113431 333135855 /nfs/dbraw/zinc/13/58/55/333135855.db2.gz VSTXDQFLTXOVPK-KRWDZBQOSA-N 0 1 281.355 3.646 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000219086234 333141194 /nfs/dbraw/zinc/14/11/94/333141194.db2.gz SXVUZCBWMIDDLW-GDBMZVCRSA-N 0 1 269.392 3.833 20 0 CHADMN Oc1cc(F)cc(CNC2(c3cccc(Cl)c3)CC2)c1 ZINC000185551032 333143668 /nfs/dbraw/zinc/14/36/68/333143668.db2.gz KSKFFQBEBJNTDI-UHFFFAOYSA-N 0 1 291.753 3.964 20 0 CHADMN C[C@@H](NCc1cnc2ccccc2c1)c1cccc(O)c1 ZINC000337197668 335125031 /nfs/dbraw/zinc/12/50/31/335125031.db2.gz YUBZHLDXVUWPII-CYBMUJFWSA-N 0 1 278.355 3.791 20 0 CHADMN CO[C@@H](CN[C@H](C)c1csc(C(C)C)n1)C(C)(C)C ZINC000186368801 333159505 /nfs/dbraw/zinc/15/95/05/333159505.db2.gz MFMNLIGLHSHXGM-YPMHNXCESA-N 0 1 284.469 3.978 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@H]2CCCS2)cs1 ZINC000186382539 333159826 /nfs/dbraw/zinc/15/98/26/333159826.db2.gz OJWQUNMDDQWZQL-GHMZBOCLSA-N 0 1 270.467 3.813 20 0 CHADMN CC[C@H](N[C@@H](C)c1csc(C(C)C)n1)[C@H]1CCCO1 ZINC000186433731 333160736 /nfs/dbraw/zinc/16/07/36/333160736.db2.gz FGDBOZPHOQGSFN-SGMGOOAPSA-N 0 1 282.453 3.875 20 0 CHADMN Cc1ccc(SC[C@H](C)N[C@@H](C)c2nccn2C)cc1 ZINC000186469361 333161680 /nfs/dbraw/zinc/16/16/80/333161680.db2.gz GCKHFIQZVJCVRR-KBPBESRZSA-N 0 1 289.448 3.560 20 0 CHADMN CC1(C)CC[C@@H](C[N@H+]2CCC[C@@H]2c2cccc(F)c2)O1 ZINC000186711047 333164489 /nfs/dbraw/zinc/16/44/89/333164489.db2.gz ORQDRFGATFMMNR-JKSUJKDBSA-N 0 1 277.383 3.920 20 0 CHADMN CC[C@H]1CN(Cc2ccc(-c3ccccc3)cc2)CCO1 ZINC000220310926 333164881 /nfs/dbraw/zinc/16/48/81/333164881.db2.gz BPRMTOYIGZXWPN-IBGZPJMESA-N 0 1 281.399 3.964 20 0 CHADMN CC(C)CC[C@@H](C)NCc1cc(COC(C)(C)C)on1 ZINC000186807841 333165103 /nfs/dbraw/zinc/16/51/03/333165103.db2.gz LDOFVFHNBSSVHP-CYBMUJFWSA-N 0 1 282.428 3.904 20 0 CHADMN CC(C)C[C@H](C)NCc1cc(COC(C)(C)C)on1 ZINC000186829374 333165496 /nfs/dbraw/zinc/16/54/96/333165496.db2.gz CTUBBNCTEPEFRY-LBPRGKRZSA-N 0 1 268.401 3.514 20 0 CHADMN Cc1nc(SCCOCC2CC2)[nH]c1-c1ccccc1 ZINC000187134471 333168286 /nfs/dbraw/zinc/16/82/86/333168286.db2.gz ADAOPFLLGBTIMH-UHFFFAOYSA-N 0 1 288.416 3.904 20 0 CHADMN Cc1ccc2c(c1)nc(CNCc1ccc(C)c(C)c1)n2C ZINC000187577537 333172665 /nfs/dbraw/zinc/17/26/65/333172665.db2.gz KCLMNOKTVBWUBN-UHFFFAOYSA-N 0 1 293.414 3.788 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(C)cc2)c(F)c1 ZINC000222280603 333179575 /nfs/dbraw/zinc/17/95/75/333179575.db2.gz GNUPFVLIYQCAQN-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN CC[C@H](C)[C@H](C)[N@@H+](Cc1ccc(F)cc1C(=O)[O-])C1CC1 ZINC000521633552 333180523 /nfs/dbraw/zinc/18/05/23/333180523.db2.gz GPOZPHJOMYBUKD-RYUDHWBXSA-N 0 1 293.382 3.923 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CC[C@@H](C)[C@@H]3C)n[nH]2)c(C)c1 ZINC000189202648 333184638 /nfs/dbraw/zinc/18/46/38/333184638.db2.gz AJELZYWKKKLIOO-OCCSQVGLSA-N 0 1 297.402 3.564 20 0 CHADMN Cc1ccc(N[C@@H](c2nnc[nH]2)C2CCCCC2)cc1F ZINC000521731959 333185767 /nfs/dbraw/zinc/18/57/67/333185767.db2.gz WFRMMVWORMYVIP-OAHLLOKOSA-N 0 1 288.370 3.986 20 0 CHADMN CCc1cccc(CN(Cc2ccccn2)C2CC2)c1 ZINC000189808496 333199428 /nfs/dbraw/zinc/19/94/28/333199428.db2.gz CVQVSNPBDILLSN-UHFFFAOYSA-N 0 1 266.388 3.809 20 0 CHADMN CCCc1noc(CN[C@@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000191361039 333218559 /nfs/dbraw/zinc/21/85/59/333218559.db2.gz UEGBTRZIISSPTO-HZPDHXFCSA-N 0 1 299.418 3.523 20 0 CHADMN CCCCN(C(=O)c1cc(C(C)C)[nH]n1)[C@@H](C)CC ZINC000521926944 333223829 /nfs/dbraw/zinc/22/38/29/333223829.db2.gz MKDHEFWNAMNBNC-LBPRGKRZSA-N 0 1 265.401 3.574 20 0 CHADMN O=C([O-])c1cc(C[N@@H+](CC2CC2)C2CCCCC2)cs1 ZINC000522008915 333230036 /nfs/dbraw/zinc/23/00/36/333230036.db2.gz YFVVWLSJWUJJIO-UHFFFAOYSA-N 0 1 293.432 3.991 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCS[C@@H](C)CC1 ZINC000192184471 333231820 /nfs/dbraw/zinc/23/18/20/333231820.db2.gz RLPKXURWWJYGPA-QWRGUYRKSA-N 0 1 271.376 3.853 20 0 CHADMN CC(C)(CNCc1ncc(Cl)s1)c1ccccc1 ZINC000225312045 333235002 /nfs/dbraw/zinc/23/50/02/333235002.db2.gz OALMTLHQCMKPJX-UHFFFAOYSA-N 0 1 280.824 3.864 20 0 CHADMN C[C@H](N[C@H]1COCc2ccccc21)c1cccc(F)c1 ZINC000225981048 333244099 /nfs/dbraw/zinc/24/40/99/333244099.db2.gz DAFSDUOYCBVISU-SJCJKPOMSA-N 0 1 271.335 3.748 20 0 CHADMN c1ccc2c(c1)CC[C@@H]2N[C@@H]1COCc2ccccc21 ZINC000225979906 333244102 /nfs/dbraw/zinc/24/41/02/333244102.db2.gz MUXIHZRAAMSUSE-ZWKOTPCHSA-N 0 1 265.356 3.535 20 0 CHADMN C[C@H](N[C@@H]1COCc2ccccc21)c1ccc(F)cc1 ZINC000225978603 333244237 /nfs/dbraw/zinc/24/42/37/333244237.db2.gz LIXPBVLZPDLLOZ-YVEFUNNKSA-N 0 1 271.335 3.748 20 0 CHADMN Cc1cccc([C@@H](C)N[C@H]2COCc3ccccc32)c1 ZINC000226005633 333245177 /nfs/dbraw/zinc/24/51/77/333245177.db2.gz HJKYMKWIDGCSLV-KDOFPFPSSA-N 0 1 267.372 3.917 20 0 CHADMN CC(C)c1ccc([C@@H](C)N(C)Cc2cnn(C)c2)cc1 ZINC000195118366 333245628 /nfs/dbraw/zinc/24/56/28/333245628.db2.gz WFCSRIMFELTZII-CQSZACIVSA-N 0 1 271.408 3.737 20 0 CHADMN Cc1ncc(CN2CCC[C@H]2c2cccc(F)c2)s1 ZINC000193490237 333251319 /nfs/dbraw/zinc/25/13/19/333251319.db2.gz WUKOVXSQWFBVAR-HNNXBMFYSA-N 0 1 276.380 3.928 20 0 CHADMN Clc1ncc(CN2CCC[C@@H]3CCC[C@H]32)s1 ZINC000227487291 333283487 /nfs/dbraw/zinc/28/34/87/333283487.db2.gz PUAGJNQYPFRTGO-GXSJLCMTSA-N 0 1 256.802 3.561 20 0 CHADMN CCO[C@@H]1C[C@@H](NCc2nc(C)c(C)o2)C12CCCCC2 ZINC000227863301 333289564 /nfs/dbraw/zinc/28/95/64/333289564.db2.gz CWMRDIWTRPDUDG-HUUCEWRRSA-N 0 1 292.423 3.509 20 0 CHADMN CC(C)n1ccc(CN2CC[C@@H](C)[C@@H]3CCCC[C@H]32)n1 ZINC000522664310 333295675 /nfs/dbraw/zinc/29/56/75/333295675.db2.gz NEZAVQCOYTXHKW-HYVNUMGLSA-N 0 1 275.440 3.865 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(C(=O)c2c(O)cccc2F)CC1 ZINC000228851121 333297842 /nfs/dbraw/zinc/29/78/42/333297842.db2.gz FPKQLYDWQQWSMY-GFCCVEGCSA-N 0 1 293.382 3.820 20 0 CHADMN C[C@H]1CN(CCCSc2ccccc2Cl)[C@@H](C)CO1 ZINC000229472609 333305532 /nfs/dbraw/zinc/30/55/32/333305532.db2.gz KBWODPPPIMBBET-STQMWFEESA-N 0 1 299.867 3.931 20 0 CHADMN COc1ccc(CNCc2ccc(F)c(Cl)c2)c(F)c1 ZINC000229815702 333309819 /nfs/dbraw/zinc/30/98/19/333309819.db2.gz VUJNJJUSRHRNPP-UHFFFAOYSA-N 0 1 297.732 3.917 20 0 CHADMN COC[C@H](NCc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000229810689 333309850 /nfs/dbraw/zinc/30/98/50/333309850.db2.gz UMLHOPLWAYMODJ-INIZCTEOSA-N 0 1 293.769 3.956 20 0 CHADMN CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCCC2(CCCCC2)C1 ZINC000523594481 333333629 /nfs/dbraw/zinc/33/36/29/333333629.db2.gz QKTNZQXXCXQCDD-JKSUJKDBSA-N 0 1 294.483 3.726 20 0 CHADMN CC(C)=CCNCc1ccc(F)cc1Br ZINC000232615932 333339656 /nfs/dbraw/zinc/33/96/56/333339656.db2.gz FYIVATQCTSIDJK-UHFFFAOYSA-N 0 1 272.161 3.644 20 0 CHADMN CC(C)Cc1noc(CN2CCC[C@@H](C(C)(C)C)CC2)n1 ZINC000303622114 333344519 /nfs/dbraw/zinc/34/45/19/333344519.db2.gz DHMUYUPKPAAWDN-CQSZACIVSA-N 0 1 293.455 3.916 20 0 CHADMN Fc1ccccc1[C@@H]1CN(CC2CCCCC2)CCO1 ZINC000524177299 333355403 /nfs/dbraw/zinc/35/54/03/333355403.db2.gz XJNNXMKGEUROKG-KRWDZBQOSA-N 0 1 277.383 3.779 20 0 CHADMN CCC(C)(C)C1CCC(NC(=O)c2[nH]nc(C)c2C)CC1 ZINC000524185052 333355569 /nfs/dbraw/zinc/35/55/69/333355569.db2.gz FEZPQQMZMFOFHQ-UHFFFAOYSA-N 0 1 291.439 3.751 20 0 CHADMN CCC[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000524518405 333364334 /nfs/dbraw/zinc/36/43/34/333364334.db2.gz ZUJABRFEWKOVBQ-TZMCWYRMSA-N 0 1 285.391 3.652 20 0 CHADMN CCc1ccc(CCSc2nc(C(C)(C)C)n[nH]2)cc1 ZINC000524536320 333365307 /nfs/dbraw/zinc/36/53/07/333365307.db2.gz QXCVXEGZLJQIHQ-UHFFFAOYSA-N 0 1 289.448 3.999 20 0 CHADMN CCc1ccc(CCSc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000524536320 333365309 /nfs/dbraw/zinc/36/53/09/333365309.db2.gz QXCVXEGZLJQIHQ-UHFFFAOYSA-N 0 1 289.448 3.999 20 0 CHADMN CSc1ccc([C@@H](C)N[C@@H](C)c2ccnn2C)cc1 ZINC000235076696 333365780 /nfs/dbraw/zinc/36/57/80/333365780.db2.gz SDUMWQUFFJCBFH-NEPJUHHUSA-N 0 1 275.421 3.554 20 0 CHADMN CCN(Cc1coc(-c2ccc(OC)cc2)n1)C1CCC1 ZINC000524597461 333367926 /nfs/dbraw/zinc/36/79/26/333367926.db2.gz AGOXALDEDRLUBX-UHFFFAOYSA-N 0 1 286.375 3.725 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CCN(C2CCC2)CC1 ZINC000524594440 333368038 /nfs/dbraw/zinc/36/80/38/333368038.db2.gz MHNOJGVECPIHOI-QGZVFWFLSA-N 0 1 294.389 3.586 20 0 CHADMN CC(C)CCNc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000236739803 333375128 /nfs/dbraw/zinc/37/51/28/333375128.db2.gz RHJTXSGFNUHSMN-HOTGVXAUSA-N 0 1 290.451 3.754 20 0 CHADMN CC[C@@H](NC[C@@H](OC)c1ccccc1)c1nccs1 ZINC000338567066 335136975 /nfs/dbraw/zinc/13/69/75/335136975.db2.gz IJZOPRKUOWTDBI-ZIAGYGMSSA-N 0 1 276.405 3.572 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1C[C@@H](C)C[C@@H]1C ZINC000524894029 333392614 /nfs/dbraw/zinc/39/26/14/333392614.db2.gz ABQIRAAEXHQMEU-ZFWWWQNUSA-N 0 1 288.435 3.787 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1C[C@@H](C)C[C@H]1C ZINC000524894026 333392701 /nfs/dbraw/zinc/39/27/01/333392701.db2.gz ABQIRAAEXHQMEU-DZGCQCFKSA-N 0 1 288.435 3.787 20 0 CHADMN FC1(CN2CCC(c3nc4ccccc4s3)CC2)CC1 ZINC000525977446 333414119 /nfs/dbraw/zinc/41/41/19/333414119.db2.gz AWYIIRCRCIQMCZ-UHFFFAOYSA-N 0 1 290.407 3.978 20 0 CHADMN CC(C)([NH2+]Cc1cccc([O-])c1Br)C1CCC1 ZINC000398026032 333431630 /nfs/dbraw/zinc/43/16/30/333431630.db2.gz ANSPNMGIYFNLNR-UHFFFAOYSA-N 0 1 298.224 3.823 20 0 CHADMN Cc1nocc1CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000339170586 335142153 /nfs/dbraw/zinc/14/21/53/335142153.db2.gz HSTLPXRJGJGVRP-OAHLLOKOSA-N 0 1 276.767 3.877 20 0 CHADMN Cc1noc(C)c1CNCc1cc(C)cc(Cl)c1 ZINC000339205664 335142369 /nfs/dbraw/zinc/14/23/69/335142369.db2.gz UAGGEZMRBNFJTM-UHFFFAOYSA-N 0 1 264.756 3.543 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H](C)[C@@H]2C[C@H]2C2CC2)no1 ZINC000529549540 333496735 /nfs/dbraw/zinc/49/67/35/333496735.db2.gz ZEWLXPJJXIFOOS-RCBQFDQVSA-N 0 1 297.402 3.569 20 0 CHADMN CC[C@@H](O)CCN[C@H](C)c1cc(Cl)sc1Cl ZINC000123397829 333501296 /nfs/dbraw/zinc/50/12/96/333501296.db2.gz MWWHLIMVFVTGJQ-HTQZYQBOSA-N 0 1 282.236 3.867 20 0 CHADMN CC(C)=CCC[C@H](C)N[C@H](CO)c1c(F)cccc1F ZINC000537988125 333569308 /nfs/dbraw/zinc/56/93/08/333569308.db2.gz QGCXBBXECZGFMT-SWLSCSKDSA-N 0 1 283.362 3.723 20 0 CHADMN COCC1(C)CCN([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000537994587 333569902 /nfs/dbraw/zinc/56/99/02/333569902.db2.gz GRJXCHHMQCONFK-ZDUSSCGKSA-N 0 1 294.439 3.782 20 0 CHADMN COc1ccc(C2(N[C@H](C)c3ccoc3)CC2)cc1 ZINC000538523967 333603628 /nfs/dbraw/zinc/60/36/28/333603628.db2.gz VHDRRBXKBLFFAO-GFCCVEGCSA-N 0 1 257.333 3.628 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN2CCC(C(F)F)CC2)o1 ZINC000538735482 333620660 /nfs/dbraw/zinc/62/06/60/333620660.db2.gz BJOQXAKKJVLTFS-GWCFXTLKSA-N 0 1 269.335 3.880 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cccc(C)n1)CCCO2 ZINC000127267530 333624969 /nfs/dbraw/zinc/62/49/69/333624969.db2.gz KALDYFSCCSVSLX-QGZVFWFLSA-N 0 1 282.387 3.702 20 0 CHADMN Cc1nccc(N2CCC[C@@H]2c2ccccn2)c1Cl ZINC000539771184 333690094 /nfs/dbraw/zinc/69/00/94/333690094.db2.gz NXCDUMHCORHBNY-CYBMUJFWSA-N 0 1 273.767 3.780 20 0 CHADMN C[C@H](NCc1cc2c(s1)CCCC2)c1ccccn1 ZINC000540166636 333716880 /nfs/dbraw/zinc/71/68/80/333716880.db2.gz LRSOALMLGBZSJE-LBPRGKRZSA-N 0 1 272.417 3.873 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@H](C)c2cncnc2C)c1 ZINC000576122084 335157885 /nfs/dbraw/zinc/15/78/85/335157885.db2.gz VWGJRXYJMKCDLL-TZMCWYRMSA-N 0 1 285.391 3.596 20 0 CHADMN C[C@H](NCCCC1CC1)c1ncc(Br)s1 ZINC000129735048 333793543 /nfs/dbraw/zinc/79/35/43/333793543.db2.gz XZUOGPAPMMSGMV-QMMMGPOBSA-N 0 1 289.242 3.746 20 0 CHADMN CCc1oc2ccccc2c1CNCc1ccoc1 ZINC000069833109 333793577 /nfs/dbraw/zinc/79/35/77/333793577.db2.gz XCPKYTGTDHGZAI-UHFFFAOYSA-N 0 1 255.317 3.878 20 0 CHADMN CCc1ccc(-c2ccc(CN[C@@H]3C=C[C@H](CO)C3)o2)cc1 ZINC000129792095 333795110 /nfs/dbraw/zinc/79/51/10/333795110.db2.gz SIXPTIIATMUTGM-DOTOQJQBSA-N 0 1 297.398 3.536 20 0 CHADMN Cc1ccccc1[C@@H](CO)NCc1ccccc1OC(C)C ZINC000541984873 333805365 /nfs/dbraw/zinc/80/53/65/333805365.db2.gz YZISQZWCISJXPK-GOSISDBHSA-N 0 1 299.414 3.605 20 0 CHADMN CCc1cnc(CN[C@@H](C)[C@H](C)c2ccccc2)o1 ZINC000542538959 333830843 /nfs/dbraw/zinc/83/08/43/333830843.db2.gz QJQVUQGWUZFGMH-STQMWFEESA-N 0 1 258.365 3.519 20 0 CHADMN Cc1cnc(C(C)(C)NCCO[C@H]2CCCC[C@H]2C)s1 ZINC000542580224 333833077 /nfs/dbraw/zinc/83/30/77/333833077.db2.gz JUOLXBXOBQMDJB-OCCSQVGLSA-N 0 1 296.480 3.872 20 0 CHADMN CCCC[C@@H](CC)CCNCc1nnc(C)s1 ZINC000542800613 333841541 /nfs/dbraw/zinc/84/15/41/333841541.db2.gz JQKHWCGJFARBBI-GFCCVEGCSA-N 0 1 255.431 3.543 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3ccc(F)cc31)CO2 ZINC000130724865 333868268 /nfs/dbraw/zinc/86/82/68/333868268.db2.gz UMHDEXTVCMKFNU-IAGOWNOFSA-N 0 1 283.346 3.845 20 0 CHADMN CCCOc1ccc(CNCc2ccc(CC)o2)cc1 ZINC000130736194 333868366 /nfs/dbraw/zinc/86/83/66/333868366.db2.gz HXAVQNCQYUFDTR-UHFFFAOYSA-N 0 1 273.376 3.921 20 0 CHADMN CC[C@@H](NCc1ccc(C(C)C)cc1)c1ccn(C)n1 ZINC000543601414 333883335 /nfs/dbraw/zinc/88/33/35/333883335.db2.gz CGZSFMVYGIVECJ-MRXNPFEDSA-N 0 1 271.408 3.784 20 0 CHADMN CC[C@H](NCc1cc2c(s1)CCCC2)c1ccn(C)n1 ZINC000543601080 333883501 /nfs/dbraw/zinc/88/35/01/333883501.db2.gz VLAJHUAOEGUEJC-AWEZNQCLSA-N 0 1 289.448 3.601 20 0 CHADMN Fc1ccc(-c2nc(CNC3(C4CC4)CC3)co2)cc1 ZINC000544415222 333930548 /nfs/dbraw/zinc/93/05/48/333930548.db2.gz KKINMDQUZPDYFX-UHFFFAOYSA-N 0 1 272.323 3.513 20 0 CHADMN Cc1ncsc1CN[C@@H]1CCCOc2ccc(C)cc21 ZINC000132430257 333980343 /nfs/dbraw/zinc/98/03/43/333980343.db2.gz XSGQXRXWAZLNFL-CQSZACIVSA-N 0 1 288.416 3.763 20 0 CHADMN CC[C@H](NC(=O)C=CC(C)(C)C)c1nc2ccccc2[nH]1 ZINC000074563474 334009144 /nfs/dbraw/zinc/00/91/44/334009144.db2.gz ZYSRDUKEJYVHSO-IIANPFDCSA-N 0 1 285.391 3.733 20 0 CHADMN C[C@@H](CCC1CC1)N[C@@H](c1nccn1C)c1ccccc1 ZINC000545985238 334010814 /nfs/dbraw/zinc/01/08/14/334010814.db2.gz YGDIECDYIUWYKS-WMLDXEAASA-N 0 1 283.419 3.678 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccsc1)c1ccc(Cl)c(F)c1 ZINC000546017605 334012635 /nfs/dbraw/zinc/01/26/35/334012635.db2.gz DULBHPZDIBAESG-YMTOWFKASA-N 0 1 299.798 3.925 20 0 CHADMN Cc1cccc(C)c1[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000546219395 334020005 /nfs/dbraw/zinc/02/00/05/334020005.db2.gz DLKIGWQDEWQQCW-ZDUSSCGKSA-N 0 1 293.370 3.671 20 0 CHADMN Cc1cc(-c2noc(C=CC(C)(C)C)n2)cc2nc[nH]c21 ZINC000546436570 334032433 /nfs/dbraw/zinc/03/24/33/334032433.db2.gz VSWBJNCHPLZSRC-WAYWQWQTSA-N 0 1 282.347 3.981 20 0 CHADMN CCC(C)(C)c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000546433410 334032484 /nfs/dbraw/zinc/03/24/84/334032484.db2.gz RZQDECFIRRBIDU-UHFFFAOYSA-N 0 1 270.336 3.609 20 0 CHADMN Cc1cc(-c2noc(C[C@H]3CC[C@@H](C)C3)n2)cc2nc[nH]c21 ZINC000546439617 334032784 /nfs/dbraw/zinc/03/27/84/334032784.db2.gz XVBKQLLNVCUVDI-PWSUYJOCSA-N 0 1 296.374 3.900 20 0 CHADMN CCn1ccnc1CN[C@@H]1c2ccccc2CCC[C@H]1C ZINC000546611544 334040106 /nfs/dbraw/zinc/04/01/06/334040106.db2.gz IKEHQMFHSSFRCS-KDOFPFPSSA-N 0 1 283.419 3.706 20 0 CHADMN Clc1cnccc1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000075595516 334046329 /nfs/dbraw/zinc/04/63/29/334046329.db2.gz CJIIITDSXWQAJN-INIZCTEOSA-N 0 1 286.806 3.942 20 0 CHADMN Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c(C)c1 ZINC000075769360 334050658 /nfs/dbraw/zinc/05/06/58/334050658.db2.gz OAPLSUKKTQRLGN-RDJZCZTQSA-N 0 1 286.419 3.506 20 0 CHADMN C[C@@H]1CCN(Cc2nccn2Cc2ccccc2)CC1(C)C ZINC000546833178 334051558 /nfs/dbraw/zinc/05/15/58/334051558.db2.gz FWPLLCHOBCRRIX-MRXNPFEDSA-N 0 1 297.446 3.799 20 0 CHADMN CC[C@H](CC(F)(F)F)NCc1ccn(-c2ccccc2)n1 ZINC000546879754 334053362 /nfs/dbraw/zinc/05/33/62/334053362.db2.gz JORPRYKKOYRBCZ-GFCCVEGCSA-N 0 1 297.324 3.693 20 0 CHADMN CC1(C)CCN(Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000076013797 334066341 /nfs/dbraw/zinc/06/63/41/334066341.db2.gz VMRMLQBKEDHLFB-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN COc1cccc(-c2nc(CN3CCC[C@H]3C)cs2)c1 ZINC000076117320 334073174 /nfs/dbraw/zinc/07/31/74/334073174.db2.gz MPSRCCWGNUEGSR-GFCCVEGCSA-N 0 1 288.416 3.803 20 0 CHADMN CCCCCN(Cc1nccn1C(F)F)C(C)C ZINC000076198386 334076573 /nfs/dbraw/zinc/07/65/73/334076573.db2.gz MJGGPWPRHYOSRQ-UHFFFAOYSA-N 0 1 259.344 3.679 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2nc(C(C)C)no2)C1 ZINC000076386124 334080149 /nfs/dbraw/zinc/08/01/49/334080149.db2.gz DUJARXHUZLQKAU-LSDHHAIUSA-N 0 1 299.418 3.879 20 0 CHADMN Cc1ccc(CNCc2cccc(COC(C)(C)C)c2)nc1 ZINC000134267714 334086039 /nfs/dbraw/zinc/08/60/39/334086039.db2.gz IVYNRDQBAVMXFB-UHFFFAOYSA-N 0 1 298.430 3.995 20 0 CHADMN Clc1ccc(CNc2ccc3c(n2)CCC3)s1 ZINC000134296998 334087298 /nfs/dbraw/zinc/08/72/98/334087298.db2.gz MSKXXKQQTHSJGQ-UHFFFAOYSA-N 0 1 264.781 3.897 20 0 CHADMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)C1CC=CC1 ZINC000076960075 334091864 /nfs/dbraw/zinc/09/18/64/334091864.db2.gz RSHFGOZQEJLYOZ-UHFFFAOYSA-N 0 1 293.326 3.728 20 0 CHADMN CCCC[C@H](CCC)CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000134490520 334092107 /nfs/dbraw/zinc/09/21/07/334092107.db2.gz LYXWBJYVDBJWSN-UONOGXRCSA-N 0 1 291.439 3.552 20 0 CHADMN c1ccc([C@@H]2CCCC[C@H]2NCc2nnc(C3CC3)o2)cc1 ZINC000547559959 334101105 /nfs/dbraw/zinc/10/11/05/334101105.db2.gz AWEQGOOSQXZWDW-JKSUJKDBSA-N 0 1 297.402 3.763 20 0 CHADMN Cc1nc(SC[C@H]2CCCOC2)[nH]c1-c1ccccc1 ZINC000547631426 334104401 /nfs/dbraw/zinc/10/44/01/334104401.db2.gz ORLGXTABFOPFMG-ZDUSSCGKSA-N 0 1 288.416 3.904 20 0 CHADMN c1csc(C[N@H+]2CCC[C@@H]2C2CCCCC2)n1 ZINC000134995580 334111167 /nfs/dbraw/zinc/11/11/67/334111167.db2.gz DEGJVEVRMKXAAY-CYBMUJFWSA-N 0 1 250.411 3.688 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N1CCC(CCO)CC1 ZINC000547832112 334124932 /nfs/dbraw/zinc/12/49/32/334124932.db2.gz CUAFNZJZMTVSEZ-NSHDSACASA-N 0 1 285.790 3.635 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CCC[C@@H]([C@H](C)O)C1 ZINC000547833801 334125113 /nfs/dbraw/zinc/12/51/13/334125113.db2.gz LDULALABYQFRLW-GRYCIOLGSA-N 0 1 285.790 3.633 20 0 CHADMN C[C@H]1CN(Cc2cccc(C(F)F)c2)C[C@H](C)S1 ZINC000548095769 334139366 /nfs/dbraw/zinc/13/93/66/334139366.db2.gz LLAKNTXFCZUBRT-QWRGUYRKSA-N 0 1 271.376 3.950 20 0 CHADMN C[C@H]1CCC[C@@H](CCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000078831581 334141310 /nfs/dbraw/zinc/14/13/10/334141310.db2.gz DFSMZGNEALPYKN-STQMWFEESA-N 0 1 285.391 3.509 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccccc1Cl ZINC000136032731 334144553 /nfs/dbraw/zinc/14/45/53/334144553.db2.gz PIKMVUQQOJULFM-UHFFFAOYSA-N 0 1 277.755 3.747 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(Cl)cc1 ZINC000136035845 334144564 /nfs/dbraw/zinc/14/45/64/334144564.db2.gz IQTSKHZSPBHSAN-UHFFFAOYSA-N 0 1 277.755 3.747 20 0 CHADMN C[C@@H](NCc1cc(-c2ccccc2)n[nH]1)c1cccc(O)c1 ZINC000136055127 334145405 /nfs/dbraw/zinc/14/54/05/334145405.db2.gz PNNYUMYNWWPYHZ-CYBMUJFWSA-N 0 1 293.370 3.633 20 0 CHADMN CC[C@@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000079055443 334146837 /nfs/dbraw/zinc/14/68/37/334146837.db2.gz ULRMZXMONPCDCN-LLVKDONJSA-N 0 1 281.783 3.698 20 0 CHADMN C[C@H]1CCCCCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000548254431 334147385 /nfs/dbraw/zinc/14/73/85/334147385.db2.gz WCLCEZZOPHLKCM-ZDUSSCGKSA-N 0 1 289.423 3.862 20 0 CHADMN Cc1ccc(CNCc2cc(Cl)cc3c2OCC3)s1 ZINC000136390275 334153890 /nfs/dbraw/zinc/15/38/90/334153890.db2.gz HSTRZQMPWASORQ-UHFFFAOYSA-N 0 1 293.819 3.935 20 0 CHADMN CC[C@@]1(C)COCCN1Cc1csc2ccccc12 ZINC000548504814 334161247 /nfs/dbraw/zinc/16/12/47/334161247.db2.gz OAMGEZOXKCCRJV-INIZCTEOSA-N 0 1 275.417 3.902 20 0 CHADMN Cc1cc(Cl)ccc1CN(C)[C@H](C)c1cnn(C)c1 ZINC000136732961 334162702 /nfs/dbraw/zinc/16/27/02/334162702.db2.gz SVQJRPNIXHDHFK-GFCCVEGCSA-N 0 1 277.799 3.575 20 0 CHADMN C[C@H](c1ccccc1Cl)N1CC[C@H](OC(F)F)C1 ZINC000549082056 334185118 /nfs/dbraw/zinc/18/51/18/334185118.db2.gz MVRMNDPGYXQQMQ-ZJUUUORDSA-N 0 1 275.726 3.715 20 0 CHADMN Cc1ccc2c(c1)CN(C[C@@H]1CCC3(CCCC3)O1)C2 ZINC000549172700 334187129 /nfs/dbraw/zinc/18/71/29/334187129.db2.gz MJNNJSVOFAEHPO-KRWDZBQOSA-N 0 1 271.404 3.802 20 0 CHADMN C[C@H](c1ccccc1Cl)N1CCCO[C@H](C)C1 ZINC000245404902 334190170 /nfs/dbraw/zinc/19/01/70/334190170.db2.gz QZYNTPUHHIHTDV-VXGBXAGGSA-N 0 1 253.773 3.512 20 0 CHADMN Cc1ccc(-c2ncc(CN3CC(C)C3)s2)cc1 ZINC000549406960 334192712 /nfs/dbraw/zinc/19/27/12/334192712.db2.gz VJGGCVCZRVTEIN-UHFFFAOYSA-N 0 1 258.390 3.570 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000549409438 334193033 /nfs/dbraw/zinc/19/30/33/334193033.db2.gz UFAMEPLMJMZFDT-HNNXBMFYSA-N 0 1 283.362 3.699 20 0 CHADMN CCCNC(=O)C[N@@H+](Cc1cccs1)C(C)(C)CCC ZINC000549411288 334193202 /nfs/dbraw/zinc/19/32/02/334193202.db2.gz STBQRIHVZISIQA-UHFFFAOYSA-N 0 1 296.480 3.655 20 0 CHADMN F[C@@]1(c2cccc(Cl)c2)CCN(C[C@H]2CCSC2)C1 ZINC000549821278 334205900 /nfs/dbraw/zinc/20/59/00/334205900.db2.gz RLOXSAOIRZXKDM-DOMZBBRYSA-N 0 1 299.842 3.964 20 0 CHADMN CCCCN(Cc1ncnn1CCC)[C@@H]1CCC[C@@H](C)C1 ZINC000549999724 334211203 /nfs/dbraw/zinc/21/12/03/334211203.db2.gz ANWVTSVOZDPVGM-HZPDHXFCSA-N 0 1 292.471 3.869 20 0 CHADMN C[C@H]1CN(Cc2c[nH]nc2C(C)(C)C)[C@H]1c1ccccc1 ZINC000245723898 334215177 /nfs/dbraw/zinc/21/51/77/334215177.db2.gz IJUYHZQGWQLFRF-XJKSGUPXSA-N 0 1 283.419 3.900 20 0 CHADMN C[C@@H](CNCc1conc1Cc1ccccc1)C(F)(F)F ZINC000550200237 334215971 /nfs/dbraw/zinc/21/59/71/334215971.db2.gz ZKJZCLGLZJZJMP-NSHDSACASA-N 0 1 298.308 3.553 20 0 CHADMN CC[C@@H](C)CN(CC)[C@H](C)c1nc(C(C)C)no1 ZINC000245778912 334219255 /nfs/dbraw/zinc/21/92/55/334219255.db2.gz LXPZOYWFCSHEIO-VXGBXAGGSA-N 0 1 253.390 3.622 20 0 CHADMN Cc1c(Br)cccc1CN1C[C@@H](C)[C@H]1C ZINC000550305852 334219551 /nfs/dbraw/zinc/21/95/51/334219551.db2.gz KDBXSCYCHLGANO-MWLCHTKSSA-N 0 1 268.198 3.598 20 0 CHADMN C[C@H]1CCN(Cc2ncc(-c3ccccc3)o2)C[C@H]1C ZINC000245867288 334222247 /nfs/dbraw/zinc/22/22/47/334222247.db2.gz GHFWZROFJMHTHJ-UONOGXRCSA-N 0 1 270.376 3.820 20 0 CHADMN COc1ccc(CN2CCCO[C@H](C(C)C)C2)cc1Cl ZINC000550561174 334224286 /nfs/dbraw/zinc/22/42/86/334224286.db2.gz AEEQEEHAXZJRFS-INIZCTEOSA-N 0 1 297.826 3.596 20 0 CHADMN Cc1nc(CN2CCC[C@@H](C)[C@H]2C)nc2ccccc12 ZINC000247006808 334273770 /nfs/dbraw/zinc/27/37/70/334273770.db2.gz UAIMPPKFIFNZCH-TZMCWYRMSA-N 0 1 269.392 3.559 20 0 CHADMN Cn1ccnc1[C@H](NCC(C)(C)C)c1ccc(Cl)cc1 ZINC000550619990 334225537 /nfs/dbraw/zinc/22/55/37/334225537.db2.gz RVKTZCUIOMHFDQ-CQSZACIVSA-N 0 1 291.826 3.799 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000575874582 334233678 /nfs/dbraw/zinc/23/36/78/334233678.db2.gz DSDHGHYHNZMHPP-QWRGUYRKSA-N 0 1 281.421 3.765 20 0 CHADMN C[C@@H](NCC(C)(C)C(F)(F)F)c1cn2ccccc2n1 ZINC000550938510 334234534 /nfs/dbraw/zinc/23/45/34/334234534.db2.gz CDZRGKBCQWDHSJ-SNVBAGLBSA-N 0 1 285.313 3.573 20 0 CHADMN C[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)[C@@H](c2ccccc2)CO1 ZINC000551063532 334237638 /nfs/dbraw/zinc/23/76/38/334237638.db2.gz SVCSCAUCWGZMCH-IIAWOOMASA-N 0 1 295.373 3.884 20 0 CHADMN CC(F)(F)CN[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000551240803 334242400 /nfs/dbraw/zinc/24/24/00/334242400.db2.gz HVDADNQAGKTBPH-KBPBESRZSA-N 0 1 253.336 3.643 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@H]1CCC[C@H]1F ZINC000551309574 334246300 /nfs/dbraw/zinc/24/63/00/334246300.db2.gz MTAHTOUTTWBMSF-YUTCNCBUSA-N 0 1 251.345 3.545 20 0 CHADMN CC1(C)CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)CC1 ZINC000551456624 334250829 /nfs/dbraw/zinc/25/08/29/334250829.db2.gz NTPURJQVJTXQRX-UHFFFAOYSA-N 0 1 297.402 3.729 20 0 CHADMN CCC[C@@H]1CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000551818414 334263402 /nfs/dbraw/zinc/26/34/02/334263402.db2.gz POKKMOWYJXVRNP-CQSZACIVSA-N 0 1 297.402 3.729 20 0 CHADMN C[C@@H](O)CCN(C)[C@H](C)c1cc(Cl)ccc1Cl ZINC000246706568 334267529 /nfs/dbraw/zinc/26/75/29/334267529.db2.gz NETRALXBNPNIMM-NXEZZACHSA-N 0 1 276.207 3.757 20 0 CHADMN COC[C@@H]1CCCN([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000246765079 334269071 /nfs/dbraw/zinc/26/90/71/334269071.db2.gz OEGMGSGGJNGUEB-VXGBXAGGSA-N 0 1 285.790 3.899 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H](c2nccn2C)C2CC2)cc1 ZINC000552090421 334288003 /nfs/dbraw/zinc/28/80/03/334288003.db2.gz JLTVBDHHKWNBIC-DYVFJYSZSA-N 0 1 283.419 3.784 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000086757045 334315616 /nfs/dbraw/zinc/31/56/16/334315616.db2.gz WAOWTJUYSJQRLR-CQSZACIVSA-N 0 1 283.371 3.527 20 0 CHADMN C[C@H](c1cnn(C)c1)[N@H+](C)CC[C@H](C)c1ccccc1 ZINC000248743036 334315716 /nfs/dbraw/zinc/31/57/16/334315716.db2.gz ANOWXHBSQQQAJF-LSDHHAIUSA-N 0 1 271.408 3.607 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1NC1CCOCC1 ZINC000552319291 334316487 /nfs/dbraw/zinc/31/64/87/334316487.db2.gz IJUAMMRKHUQDNB-UHFFFAOYSA-N 0 1 288.435 3.966 20 0 CHADMN CSCc1ccc(CN[C@@H](C)c2ccoc2)cc1 ZINC000552337439 334318061 /nfs/dbraw/zinc/31/80/61/334318061.db2.gz UQPNHOFWPIZJQA-LBPRGKRZSA-N 0 1 261.390 3.993 20 0 CHADMN CC(C)[C@@H]1C[N@@H+](C[C@H](C)c2cccc(Cl)c2)CCN1C ZINC000564390956 334320940 /nfs/dbraw/zinc/32/09/40/334320940.db2.gz VWKHUAQFOIQSTD-YOEHRIQHSA-N 0 1 294.870 3.716 20 0 CHADMN COC(=O)[C@@H]1CCN([C@H](C)c2ccccc2Cl)C[C@@H]1C ZINC000248973098 334323528 /nfs/dbraw/zinc/32/35/28/334323528.db2.gz DBCUQDMNNDDNIN-YNEHKIRRSA-N 0 1 295.810 3.532 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCS[C@@H](C)CC1 ZINC000249079975 334326938 /nfs/dbraw/zinc/32/69/38/334326938.db2.gz RLPKXURWWJYGPA-WDEREUQCSA-N 0 1 271.376 3.853 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000249209486 334329934 /nfs/dbraw/zinc/32/99/34/334329934.db2.gz XPSMOQUIESMJHR-BTJLNZGRSA-N 0 1 299.393 3.898 20 0 CHADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1Cl ZINC000087761585 334329949 /nfs/dbraw/zinc/32/99/49/334329949.db2.gz CDBVNTTVFYSNFC-UHFFFAOYSA-N 0 1 290.190 3.536 20 0 CHADMN CC(C)C[C@@H](C)OCCC(=O)Nc1cccc(Cl)c1O ZINC000088375616 334337506 /nfs/dbraw/zinc/33/75/06/334337506.db2.gz XUGNJGYVERONJQ-LLVKDONJSA-N 0 1 299.798 3.825 20 0 CHADMN Cc1cc(CN2CCCC[C@H]2CCc2ccccc2)no1 ZINC000090010413 334355591 /nfs/dbraw/zinc/35/55/91/334355591.db2.gz BYZVSMTWYAHHSF-SFHVURJKSA-N 0 1 284.403 3.970 20 0 CHADMN CO[C@@H]1CCCC[C@H]1N[C@H](C)c1c(F)cccc1F ZINC000251799968 334369833 /nfs/dbraw/zinc/36/98/33/334369833.db2.gz YBBDLSQCCXAWKO-LERXQTSPSA-N 0 1 269.335 3.573 20 0 CHADMN Cn1ccnc1[C@@H](NC1CCCC1)c1ccc(Cl)cc1 ZINC000553575938 334392385 /nfs/dbraw/zinc/39/23/85/334392385.db2.gz RFKZDYIAMGOLLN-HNNXBMFYSA-N 0 1 289.810 3.695 20 0 CHADMN Cc1cc([C@H](C)NCCc2ccc(C(C)C)cc2)no1 ZINC000554574011 334439909 /nfs/dbraw/zinc/43/99/09/334439909.db2.gz GTIBYMIRSQPWIP-AWEZNQCLSA-N 0 1 272.392 4.000 20 0 CHADMN CC[C@@H](NCc1cccc(C)n1)c1cc(C)ccc1OC ZINC000093399721 334463421 /nfs/dbraw/zinc/46/34/21/334463421.db2.gz YSXRIMIFFGICFQ-QGZVFWFLSA-N 0 1 284.403 3.948 20 0 CHADMN Cc1ccccc1-c1cnc(CNC2(C(C)C)CC2)o1 ZINC000555618101 334484908 /nfs/dbraw/zinc/48/49/08/334484908.db2.gz IMTICYYOSBFDGD-UHFFFAOYSA-N 0 1 270.376 3.928 20 0 CHADMN F[C@H]1CCC[C@H]1NCc1ccccc1OC(F)(F)F ZINC000555643429 334485809 /nfs/dbraw/zinc/48/58/09/334485809.db2.gz NLYXAIIJCXTYRV-WDEREUQCSA-N 0 1 277.261 3.565 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccoc2)cc1F ZINC000094868439 334506513 /nfs/dbraw/zinc/50/65/13/334506513.db2.gz SQBBXAJIYOMLJE-GHMZBOCLSA-N 0 1 263.312 3.839 20 0 CHADMN C/C(=C/c1ccccc1)CN[C@H](c1ccccc1F)[C@H](C)O ZINC000565308195 334551196 /nfs/dbraw/zinc/55/11/96/334551196.db2.gz QJJYMYFXMRVMIB-WEYHRGFXSA-N 0 1 299.389 3.941 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](c2ccccc2F)[C@@H](C)O)cc1 ZINC000565838922 334601978 /nfs/dbraw/zinc/60/19/78/334601978.db2.gz VILVMLVROWKZSP-PMUMKWKESA-N 0 1 287.378 3.907 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@H]1CCCc2c(F)cccc21 ZINC000566476361 334651489 /nfs/dbraw/zinc/65/14/89/334651489.db2.gz XYLYVMOHZNDZAO-PXAZEXFGSA-N 0 1 285.366 3.652 20 0 CHADMN COC[C@@H](N[C@@H](C)c1nc(C(C)(C)C)cs1)C(C)C ZINC000154014925 334685604 /nfs/dbraw/zinc/68/56/04/334685604.db2.gz RJHXRICUBKPNCD-NWDGAFQWSA-N 0 1 284.469 3.762 20 0 CHADMN CC[C@@H](NCc1cc(C(=O)OC)oc1C)c1ccccc1 ZINC000567351649 334707348 /nfs/dbraw/zinc/70/73/48/334707348.db2.gz BXAQQSOHLHGCOE-OAHLLOKOSA-N 0 1 287.359 3.616 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@H]1CCCc2c1cnn2C ZINC000268834075 334717208 /nfs/dbraw/zinc/71/72/08/334717208.db2.gz RNNWQLBMABLKPC-CJNGLKHVSA-N 0 1 299.418 3.547 20 0 CHADMN CCn1ccnc1CN[C@H]1CC[C@@H](C)c2ccccc21 ZINC000269816024 334729767 /nfs/dbraw/zinc/72/97/67/334729767.db2.gz NUKXEPWNLAIMAU-CJNGLKHVSA-N 0 1 269.392 3.631 20 0 CHADMN Cc1ncncc1[C@H](C)NC1(c2ccc(Cl)cc2)CC1 ZINC000568236391 334806999 /nfs/dbraw/zinc/80/69/99/334806999.db2.gz JPFOWYZHNWDBAH-LBPRGKRZSA-N 0 1 287.794 3.778 20 0 CHADMN CCSc1ccccc1-c1nc([C@H](N)CC(C)C)no1 ZINC000568629904 334833474 /nfs/dbraw/zinc/83/34/74/334833474.db2.gz PPGPIISFKZOXKP-GFCCVEGCSA-N 0 1 291.420 3.895 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H]2c2ccccc2C)oc1C(=O)[O-] ZINC000576353602 335193471 /nfs/dbraw/zinc/19/34/71/335193471.db2.gz ZEVKHOBDFFDQOD-INIZCTEOSA-N 0 1 299.370 3.932 20 0 CHADMN Cc1ccccc1Cc1nnc(CN(CC2CC2)C(C)C)o1 ZINC000576455316 335205390 /nfs/dbraw/zinc/20/53/90/335205390.db2.gz UGIUZZMTXZGWLM-UHFFFAOYSA-N 0 1 299.418 3.589 20 0 CHADMN CCC(C)(C)CC[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000576479154 335209956 /nfs/dbraw/zinc/20/99/56/335209956.db2.gz BYJKXQZSSSUXQF-UHFFFAOYSA-N 0 1 275.392 3.569 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@@H]1C[C@@H]1C1CC1 ZINC000175919809 335217896 /nfs/dbraw/zinc/21/78/96/335217896.db2.gz GYSDIDYMHZETEQ-ZIAGYGMSSA-N 0 1 295.386 3.815 20 0 CHADMN C[C@]1(C(=O)[O-])CCC[N@@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000576643216 335229997 /nfs/dbraw/zinc/22/99/97/335229997.db2.gz RUKUPBBXYJVNQV-ICTCPBKTSA-N 0 1 293.794 3.540 20 0 CHADMN CCOCc1nc([C@H](C)N[C@@H](CC)C2CCCCC2)no1 ZINC000576747883 335242573 /nfs/dbraw/zinc/24/25/73/335242573.db2.gz QDQDFIRWHPWETL-JSGCOSHPSA-N 0 1 295.427 3.616 20 0 CHADMN Cc1ccccc1CN[C@@H]1c2ccccc2O[C@H]1C ZINC000576903052 335262253 /nfs/dbraw/zinc/26/22/53/335262253.db2.gz QLXVWTNDTQNQNM-GUYCJALGSA-N 0 1 253.345 3.607 20 0 CHADMN Cc1oc(C[N@@H+](CC2CCCCC2)C2CC2)cc1C(=O)[O-] ZINC000576950301 335268608 /nfs/dbraw/zinc/26/86/08/335268608.db2.gz YMTPXSGCZNPDQN-UHFFFAOYSA-N 0 1 291.391 3.831 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2[C@H](C(=O)[O-])c2ccccc2)o1 ZINC000580574714 335288017 /nfs/dbraw/zinc/28/80/17/335288017.db2.gz HYMRTVREKRYQQI-ZBFHGGJFSA-N 0 1 285.343 3.551 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CCCCC(=O)[O-])C2CC2)o1 ZINC000580574642 335288051 /nfs/dbraw/zinc/28/80/51/335288051.db2.gz FKXZWWGBBZRQRJ-WFASDCNBSA-N 0 1 291.391 3.622 20 0 CHADMN Cc1ccoc1CN(C)Cc1ccc(Br)cc1 ZINC000379997196 335289261 /nfs/dbraw/zinc/28/92/61/335289261.db2.gz WLBHKNKVPFFJDX-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN COc1cccc([C@@H](C)N2CCO[C@H](C(C)(C)C)C2)c1 ZINC000577052656 335290729 /nfs/dbraw/zinc/29/07/29/335290729.db2.gz AONDRNTTZWTDFA-CJNGLKHVSA-N 0 1 277.408 3.503 20 0 CHADMN Cc1cnccc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000580638030 335308223 /nfs/dbraw/zinc/30/82/23/335308223.db2.gz AFSHSYCWVLKJNQ-GFCCVEGCSA-N 0 1 272.314 3.554 20 0 CHADMN CCc1ccc([C@H]2CCCCC[N@H+]2CCCC(=O)[O-])o1 ZINC000580643267 335310096 /nfs/dbraw/zinc/31/00/96/335310096.db2.gz BZGRAXBPUPBBLC-CQSZACIVSA-N 0 1 279.380 3.624 20 0 CHADMN CC(C)[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1ccccc1 ZINC000345344992 335316511 /nfs/dbraw/zinc/31/65/11/335316511.db2.gz BGFLPIILBRWPRO-KBMXLJTQSA-N 0 1 269.392 3.876 20 0 CHADMN F[C@H]1CCCN(Cc2cccc(-c3ccncc3)c2)C1 ZINC000577226261 335326263 /nfs/dbraw/zinc/32/62/63/335326263.db2.gz FLXWOXAFWNMREI-KRWDZBQOSA-N 0 1 270.351 3.683 20 0 CHADMN C[C@H](NCc1sccc1Cl)c1ccc2c(c1)OCO2 ZINC000192996380 335332475 /nfs/dbraw/zinc/33/24/75/335332475.db2.gz PXXIAEQQTRDNKT-VIFPVBQESA-N 0 1 295.791 3.981 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1cn2cc(C)ccc2n1 ZINC000177029636 335355011 /nfs/dbraw/zinc/35/50/11/335355011.db2.gz LBKHVTGADJSMMP-CQSZACIVSA-N 0 1 291.464 3.606 20 0 CHADMN CC[C@]1(C)CCC[N@H+]([C@@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000577499677 335359973 /nfs/dbraw/zinc/35/99/73/335359973.db2.gz GPGSCPJVXOYLNX-MEDUHNTESA-N 0 1 279.380 3.859 20 0 CHADMN Cc1ccc(C[N@@H+](CCCC(=O)[O-])Cc2ccccc2)cc1 ZINC000000011302 335366711 /nfs/dbraw/zinc/36/67/11/335366711.db2.gz HHQIRRLLQDNOFT-UHFFFAOYSA-N 0 1 297.398 3.862 20 0 CHADMN Clc1ccc2onc(NCCC[C@@H]3CCCCO3)c2c1 ZINC000577551089 335367567 /nfs/dbraw/zinc/36/75/67/335367567.db2.gz AAWQUYZWNSVBRF-LBPRGKRZSA-N 0 1 294.782 3.664 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1nc(C(C)(C)C)no1 ZINC000177533312 335373894 /nfs/dbraw/zinc/37/38/94/335373894.db2.gz CZLCLSDPKQLUFO-UKRRQHHQSA-N 0 1 299.418 3.745 20 0 CHADMN c1csc(-c2ncc(CNCc3ccoc3)s2)c1 ZINC000177571441 335374583 /nfs/dbraw/zinc/37/45/83/335374583.db2.gz JIFACMVXSSVXQE-UHFFFAOYSA-N 0 1 276.386 3.754 20 0 CHADMN Cc1noc([C@H](C)[N@H+](C)C[C@@H](C)CCc2ccccc2)n1 ZINC000577626786 335381795 /nfs/dbraw/zinc/38/17/95/335381795.db2.gz SPFKRAPWRSAQNF-KBPBESRZSA-N 0 1 287.407 3.640 20 0 CHADMN Cc1noc([C@H](C)N(C)C[C@@H](C)CCc2ccccc2)n1 ZINC000577626786 335381796 /nfs/dbraw/zinc/38/17/96/335381796.db2.gz SPFKRAPWRSAQNF-KBPBESRZSA-N 0 1 287.407 3.640 20 0 CHADMN C[C@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1cnccn1 ZINC000178292387 335424688 /nfs/dbraw/zinc/42/46/88/335424688.db2.gz SPLNECSCASBUQE-ZBEGNZNMSA-N 0 1 287.794 3.932 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1ccsc1)c1cccs1 ZINC000349427434 335467100 /nfs/dbraw/zinc/46/71/00/335467100.db2.gz XUGVDASAIFLWBW-NEPJUHHUSA-N 0 1 267.419 3.584 20 0 CHADMN CC(C)CC[C@H](NCc1nc(C2CC2)no1)C(C)(C)C ZINC000179906992 335531226 /nfs/dbraw/zinc/53/12/26/335531226.db2.gz KFPPCPLUSCILRD-ZDUSSCGKSA-N 0 1 279.428 3.888 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)N3CCCCCC3)n2)c(C)o1 ZINC000351035796 335560287 /nfs/dbraw/zinc/56/02/87/335560287.db2.gz DVDYLDDTOKXUBL-GFCCVEGCSA-N 0 1 289.379 3.883 20 0 CHADMN Cc1cc(-c2noc([C@H](C)N3CCCCCC3)n2)c(C)o1 ZINC000351035805 335560324 /nfs/dbraw/zinc/56/03/24/335560324.db2.gz DVDYLDDTOKXUBL-LBPRGKRZSA-N 0 1 289.379 3.883 20 0 CHADMN Clc1ccc(-c2nc(-c3ccn4cncc4c3)no2)cc1 ZINC000351072046 335563575 /nfs/dbraw/zinc/56/35/75/335563575.db2.gz HUHRFDODHZRKOA-UHFFFAOYSA-N 0 1 296.717 3.705 20 0 CHADMN Cc1cccc(CN[C@H]2c3ccc(F)cc3O[C@@H]2C)c1 ZINC000578277366 335594459 /nfs/dbraw/zinc/59/44/59/335594459.db2.gz ZXUKKMMXXVEMBE-SJKOYZFVSA-N 0 1 271.335 3.746 20 0 CHADMN COc1ccc(CNCc2cc3ccccc3[nH]2)c(F)c1 ZINC000578400753 335627509 /nfs/dbraw/zinc/62/75/09/335627509.db2.gz KMVXVCHBFCUFBI-UHFFFAOYSA-N 0 1 284.334 3.605 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccc3cnn(C)c3c2)o1 ZINC000578477037 335638795 /nfs/dbraw/zinc/63/87/95/335638795.db2.gz WMGUUKBHIWEIIM-LBPRGKRZSA-N 0 1 283.375 3.580 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@@H]1CC[C@H](F)C1 ZINC000579396487 335744590 /nfs/dbraw/zinc/74/45/90/335744590.db2.gz YWQWZHWYFZBZPS-VHSXEESVSA-N 0 1 278.302 3.685 20 0 CHADMN Cc1cncc(CN[C@@H]2CSCCc3ccccc32)c1 ZINC000181844001 335788051 /nfs/dbraw/zinc/78/80/51/335788051.db2.gz XTVINZYBWQUMET-QGZVFWFLSA-N 0 1 284.428 3.510 20 0 CHADMN c1ccc(-c2cnc(CN[C@H]3CCCC34CC4)nc2)cc1 ZINC000579615773 335823389 /nfs/dbraw/zinc/82/33/89/335823389.db2.gz SLXCNEPNNWHWMA-INIZCTEOSA-N 0 1 279.387 3.566 20 0 CHADMN C[C@@H](NCc1noc(-c2ccccc2)n1)C1CCCCC1 ZINC000182706117 335837827 /nfs/dbraw/zinc/83/78/27/335837827.db2.gz JQLIBIXLXQFQDN-CYBMUJFWSA-N 0 1 285.391 3.795 20 0 CHADMN CCS[C@@H](C)c1noc(CN[C@H](C)C2CCCCC2)n1 ZINC000182945316 335852326 /nfs/dbraw/zinc/85/23/26/335852326.db2.gz KOSWVQZGSXTKTA-NEPJUHHUSA-N 0 1 297.468 3.942 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H](C)c1nccn1C)C(C)C ZINC000182958416 335853067 /nfs/dbraw/zinc/85/30/67/335853067.db2.gz OYZSMSCIXYCQIY-GOEBONIOSA-N 0 1 271.408 3.776 20 0 CHADMN CCCC[C@@H](CC)CN1CCN([C@H](C)C(F)(F)F)CC1 ZINC000183629884 335899323 /nfs/dbraw/zinc/89/93/23/335899323.db2.gz FLVLWZVGYUTACX-ZIAGYGMSSA-N 0 1 294.405 3.771 20 0 CHADMN C[C@H]1CCCC[C@@H]1N(C)Cc1nc(Cc2ccccc2)no1 ZINC000194142896 336004970 /nfs/dbraw/zinc/00/49/70/336004970.db2.gz YZBDKBHOSMBRSL-HOCLYGCPSA-N 0 1 299.418 3.671 20 0 CHADMN C[C@H]1CCCC[C@H]1N(C)Cc1nc(Cc2ccccc2)no1 ZINC000194142927 336005180 /nfs/dbraw/zinc/00/51/80/336005180.db2.gz YZBDKBHOSMBRSL-GOEBONIOSA-N 0 1 299.418 3.671 20 0 CHADMN C=Cn1cc(CN[C@@H](CC(C)C)c2ccccc2OC)cn1 ZINC000194351136 336018163 /nfs/dbraw/zinc/01/81/63/336018163.db2.gz KJRRALHXXASQEY-KRWDZBQOSA-N 0 1 299.418 3.869 20 0 CHADMN COc1ccc(CN2CC[C@@H](C)[C@H]2C)cc1Br ZINC000380707633 336018637 /nfs/dbraw/zinc/01/86/37/336018637.db2.gz RTTPSNUVIDIZIP-GHMZBOCLSA-N 0 1 298.224 3.688 20 0 CHADMN C=Cn1cc(CNCc2ccc(C(C)(C)CC)cc2)cn1 ZINC000194393878 336019512 /nfs/dbraw/zinc/01/95/12/336019512.db2.gz UWYYVRIBIYMEBT-UHFFFAOYSA-N 0 1 283.419 3.961 20 0 CHADMN Cc1oc([C@H](C)[N@@H+](C)Cc2cccs2)cc1C(=O)[O-] ZINC000581255911 336032975 /nfs/dbraw/zinc/03/29/75/336032975.db2.gz JSESUDAHBWCPKY-VIFPVBQESA-N 0 1 279.361 3.541 20 0 CHADMN [O-]c1cccc(C[NH2+]CCCOC2CCCCC2)c1Cl ZINC000380906690 336038934 /nfs/dbraw/zinc/03/89/34/336038934.db2.gz IIDQNPAJEJNVAS-UHFFFAOYSA-N 0 1 297.826 3.875 20 0 CHADMN CC1(C)CN(C(=O)c2ccc(O)c(Cl)c2)[C@H]2CCC[C@@H]21 ZINC000381117067 336050640 /nfs/dbraw/zinc/05/06/40/336050640.db2.gz KMEJASOEXYIZBV-AAEUAGOBSA-N 0 1 293.794 3.696 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)[C@H]1C ZINC000381527186 336067476 /nfs/dbraw/zinc/06/74/76/336067476.db2.gz OJSPILNCPHLUAV-MNOVXSKESA-N 0 1 281.783 3.659 20 0 CHADMN COC(=O)c1cccc(CN2CCC[C@@H](C)[C@@H]2C)c1Cl ZINC000381748856 336072338 /nfs/dbraw/zinc/07/23/38/336072338.db2.gz VPOBXSORFRXYGP-NEPJUHHUSA-N 0 1 295.810 3.747 20 0 CHADMN COc1cc([C@H](C)NCc2cc3cc(C)ccc3o2)ccn1 ZINC000581451826 336079893 /nfs/dbraw/zinc/07/98/93/336079893.db2.gz TZGILQIBAYWIBP-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN CCc1ccc(CNCc2cc(F)ccc2OC)s1 ZINC000382058262 336080898 /nfs/dbraw/zinc/08/08/98/336080898.db2.gz XRYWIPQNNQWMSD-UHFFFAOYSA-N 0 1 279.380 3.748 20 0 CHADMN FC(F)[C@H]1C[C@@H]1NCc1ccc(Cl)cc1Cl ZINC000382066775 336081178 /nfs/dbraw/zinc/08/11/78/336081178.db2.gz DUUFUABCAXQALW-WPRPVWTQSA-N 0 1 266.118 3.737 20 0 CHADMN Cc1cccc(CCN(C)[C@H](C)c2cc(F)ccc2F)n1 ZINC000581486264 336087583 /nfs/dbraw/zinc/08/75/83/336087583.db2.gz COFJFWJMMOBIFH-CYBMUJFWSA-N 0 1 290.357 3.904 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2cn3ccsc3n2)CC1 ZINC000581508030 336091929 /nfs/dbraw/zinc/09/19/29/336091929.db2.gz YNBOUUIKLXCUBP-ZDUSSCGKSA-N 0 1 277.437 3.654 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2CC2CCCCC2)o1 ZINC000581553591 336101823 /nfs/dbraw/zinc/10/18/23/336101823.db2.gz XBHLBQPELSCTOO-CQSZACIVSA-N 0 1 291.391 3.913 20 0 CHADMN CC[C@@H](C)C[C@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000383060368 336103789 /nfs/dbraw/zinc/10/37/89/336103789.db2.gz NGWGYMBKBHJALT-MNOVXSKESA-N 0 1 255.789 3.960 20 0 CHADMN CC[N@H+](Cc1cccc([O-])c1Cl)CC(C)(C)C ZINC000383212554 336106128 /nfs/dbraw/zinc/10/61/28/336106128.db2.gz XWOHCPLJTRLKPP-UHFFFAOYSA-N 0 1 255.789 3.914 20 0 CHADMN CC[N@@H+](Cc1cccc([O-])c1Cl)CC(C)(C)C ZINC000383212554 336106129 /nfs/dbraw/zinc/10/61/29/336106129.db2.gz XWOHCPLJTRLKPP-UHFFFAOYSA-N 0 1 255.789 3.914 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC000383693193 336116415 /nfs/dbraw/zinc/11/64/15/336116415.db2.gz FDHDCFUKPCVNQI-LLVKDONJSA-N 0 1 275.373 3.639 20 0 CHADMN CCC[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])oc2CC)C1 ZINC000581671827 336125989 /nfs/dbraw/zinc/12/59/89/336125989.db2.gz KGEIGFKJOJALPS-LBPRGKRZSA-N 0 1 279.380 3.552 20 0 CHADMN C[C@H](O)[C@@H](N[C@@H]1CCc2ccccc21)c1ccccc1F ZINC000581730569 336139269 /nfs/dbraw/zinc/13/92/69/336139269.db2.gz MIJRARSYENENPE-JBBXEZCESA-N 0 1 285.362 3.525 20 0 CHADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1CCC1=CCCCC1 ZINC000385219561 336142504 /nfs/dbraw/zinc/14/25/04/336142504.db2.gz RKXNBBHHZBGOQE-KRWDZBQOSA-N 0 1 285.387 3.561 20 0 CHADMN C[N@@H+](Cc1csc(C(=O)[O-])c1)C1CCCCCC1 ZINC000581889641 336160901 /nfs/dbraw/zinc/16/09/01/336160901.db2.gz FVQXFSRJDSLZLL-UHFFFAOYSA-N 0 1 267.394 3.601 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000386280786 336169890 /nfs/dbraw/zinc/16/98/90/336169890.db2.gz OEPDVZDYPDMHDU-UHFFFAOYSA-N 0 1 291.310 3.870 20 0 CHADMN CCc1ccc([C@@H]2CC[N@H+]([C@@H](CC(C)C)C(=O)[O-])C2)cc1 ZINC000582014803 336192473 /nfs/dbraw/zinc/19/24/73/336192473.db2.gz KHRJJFMPGPJKAY-SJORKVTESA-N 0 1 289.419 3.538 20 0 CHADMN CCCOc1ccc(CNCc2ccc(C)o2)cc1 ZINC000048326880 520369388 /nfs/dbraw/zinc/36/93/88/520369388.db2.gz RTTNQCSELZECNY-UHFFFAOYSA-N 0 1 259.349 3.667 20 0 CHADMN CCC(CC)CN(CC)Cc1ncc(C2CC2)o1 ZINC000340658002 521519967 /nfs/dbraw/zinc/51/99/67/521519967.db2.gz KPVGUDMDJAOVGP-UHFFFAOYSA-N 0 1 250.386 3.810 20 0 CHADMN C[C@H]1CC[C@H](C(=O)Nc2cc(Cl)c(O)cc2F)C1 ZINC000335955406 533734240 /nfs/dbraw/zinc/73/42/40/533734240.db2.gz KUNKTDYWYYPVKY-YUMQZZPRSA-N 0 1 271.719 3.559 20 0 CHADMN C[C@H]1CC[C@H](c2ccccc2)N(CC(=O)c2cccn2C)C1 ZINC000352797739 533766915 /nfs/dbraw/zinc/76/69/15/533766915.db2.gz BORXTWFYALASKJ-DOTOQJQBSA-N 0 1 296.414 3.681 20 0 CHADMN CSCc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000352620038 533842367 /nfs/dbraw/zinc/84/23/67/533842367.db2.gz YVLDVWJPPSEXOL-UHFFFAOYSA-N 0 1 297.383 3.678 20 0 CHADMN CSCc1cnc(CNC2C(C)(C)C2(C)C)s1 ZINC000353523957 533870967 /nfs/dbraw/zinc/87/09/67/533870967.db2.gz VDZYQICLXWSTNJ-UHFFFAOYSA-N 0 1 270.467 3.530 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(Cl)cn2C)cc1 ZINC000355016795 533876723 /nfs/dbraw/zinc/87/67/23/533876723.db2.gz APFMFXGFUSUACQ-UHFFFAOYSA-N 0 1 262.784 3.619 20 0 CHADMN CC[C@H](NC1CC(F)(F)C1)c1cc(F)ccc1F ZINC000277221425 522559478 /nfs/dbraw/zinc/55/94/78/522559478.db2.gz XUBYWBYTCRVNHZ-LBPRGKRZSA-N 0 1 261.262 3.803 20 0 CHADMN C[C@H](CCN1CCn2cccc2[C@H]1C)OCc1ccccc1 ZINC000354884393 533924162 /nfs/dbraw/zinc/92/41/62/533924162.db2.gz SEAVYNJMWKSYEK-IAGOWNOFSA-N 0 1 298.430 3.860 20 0 CHADMN COc1ccccc1/C=C/CN1CCC[C@H]1c1cc(C)no1 ZINC000352096842 533948223 /nfs/dbraw/zinc/94/82/23/533948223.db2.gz KXTZJDFXFSJQBI-WHWKNOJMSA-N 0 1 298.386 3.842 20 0 CHADMN Cc1cc2cc(CNCc3cc(O)cc(F)c3)ccc2[nH]1 ZINC000353130802 534089489 /nfs/dbraw/zinc/08/94/89/534089489.db2.gz XQPOEIHCIYLLPB-UHFFFAOYSA-N 0 1 284.334 3.611 20 0 CHADMN C[C@@H]1CCCC[C@@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000333542329 534167078 /nfs/dbraw/zinc/16/70/78/534167078.db2.gz IBCKMORWPHHWTK-RISCZKNCSA-N 0 1 282.347 3.678 20 0 CHADMN Cc1cc(CNC2(c3ccccc3)CCCCC2)nn1C ZINC000486802023 518187253 /nfs/dbraw/zinc/18/72/53/518187253.db2.gz SDZVSGKIHRYLQA-UHFFFAOYSA-N 0 1 283.419 3.678 20 0 CHADMN CC(=CC(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1)C1CC1 ZINC000365082085 518429843 /nfs/dbraw/zinc/42/98/43/518429843.db2.gz HBQLZWXIWMTNSX-PKNBQFBNSA-N 0 1 295.386 3.988 20 0 CHADMN Cc1ccc2[nH]c(CNCc3ccoc3)cc2c1C ZINC000349615266 534357516 /nfs/dbraw/zinc/35/75/16/534357516.db2.gz VFYXZWGVFKLLCP-UHFFFAOYSA-N 0 1 254.333 3.668 20 0 CHADMN CC(C)(C)C(C)(C)CN[C@H](c1ncc[nH]1)c1cccnc1 ZINC000340403704 518598000 /nfs/dbraw/zinc/59/80/00/518598000.db2.gz IYGCFXSNSSXIOB-AWEZNQCLSA-N 0 1 286.423 3.556 20 0 CHADMN CC(C)(C)C1CCN(Cc2nc3cccnc3s2)CC1 ZINC000341584636 518606865 /nfs/dbraw/zinc/60/68/65/518606865.db2.gz YGIQAWFOHPGMFR-UHFFFAOYSA-N 0 1 289.448 3.949 20 0 CHADMN CC(C)(C)OCc1cccc(CNCc2ccccn2)c1 ZINC000101932625 518883775 /nfs/dbraw/zinc/88/37/75/518883775.db2.gz KNJABFHYAWSZHC-UHFFFAOYSA-N 0 1 284.403 3.687 20 0 CHADMN CC(C)(C)c1ncc(CNCc2cccc(F)c2)s1 ZINC000059180914 519112641 /nfs/dbraw/zinc/11/26/41/519112641.db2.gz BBBBJUOYFYVYFO-UHFFFAOYSA-N 0 1 278.396 3.870 20 0 CHADMN CC(C)(C)c1noc(CN[C@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000131047915 519133643 /nfs/dbraw/zinc/13/36/43/519133643.db2.gz CQONSDLPPOGDOT-CABCVRRESA-N 0 1 299.418 3.793 20 0 CHADMN CC(C)(C)c1noc(CN[C@@H]2CCC[C@H]2c2ccccc2)n1 ZINC000131048087 519134097 /nfs/dbraw/zinc/13/40/97/519134097.db2.gz CQONSDLPPOGDOT-LSDHHAIUSA-N 0 1 299.418 3.793 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2sccc2C2CC2)n1 ZINC000339362738 519230512 /nfs/dbraw/zinc/23/05/12/519230512.db2.gz PJHNZCYMVFMMGC-LLVKDONJSA-N 0 1 277.393 3.721 20 0 CHADMN CC(C)C[C@@H](N)c1noc(CCc2cc(Cl)cs2)n1 ZINC000339399656 519232751 /nfs/dbraw/zinc/23/27/51/519232751.db2.gz YZKXOOUJEUHTHW-LLVKDONJSA-N 0 1 299.827 3.616 20 0 CHADMN CC(C)(CO)[C@@H](NCc1ccccc1F)c1cccs1 ZINC000289791227 519282778 /nfs/dbraw/zinc/28/27/78/519282778.db2.gz NGLSKHOXVWSVQY-HNNXBMFYSA-N 0 1 293.407 3.737 20 0 CHADMN C=Cn1cc(CN[C@@H]2CCCc3sc(Cl)cc32)cn1 ZINC000291692510 519327027 /nfs/dbraw/zinc/32/70/27/519327027.db2.gz JEADEMYGBGPKDN-GFCCVEGCSA-N 0 1 293.823 3.866 20 0 CHADMN CC(C)C[C@H](N)c1noc(/C=C/C2CCCCC2)n1 ZINC000339395475 519374165 /nfs/dbraw/zinc/37/41/65/519374165.db2.gz SIEJSSSSKNEVRC-XEHSLEBBSA-N 0 1 263.385 3.709 20 0 CHADMN CC(C)C[C@H](N)c1noc(/C=C\C2CCCCC2)n1 ZINC000339395476 519374648 /nfs/dbraw/zinc/37/46/48/519374648.db2.gz SIEJSSSSKNEVRC-YXVBKTCISA-N 0 1 263.385 3.709 20 0 CHADMN CC(C)C[C@H](N)c1noc(CCc2ccccc2Cl)n1 ZINC000339388540 519375845 /nfs/dbraw/zinc/37/58/45/519375845.db2.gz DMYGSTDMBMPNRE-ZDUSSCGKSA-N 0 1 293.798 3.554 20 0 CHADMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccccc1Oc1ccccc1 ZINC000263558776 519637676 /nfs/dbraw/zinc/63/76/76/519637676.db2.gz ALTDSBNYMMGKCQ-UHFFFAOYSA-N 0 1 299.370 3.774 20 0 CHADMN CC(C)N(CC1CCC1)C(=O)c1c[nH]c2ccccc2c1=O ZINC000278645760 519640828 /nfs/dbraw/zinc/64/08/28/519640828.db2.gz OGEZJMVHGNCPTC-UHFFFAOYSA-N 0 1 298.386 3.591 20 0 CHADMN CC(C)CCCN[C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000276203000 519642154 /nfs/dbraw/zinc/64/21/54/519642154.db2.gz KJHIYHQNRPCYHU-MRXNPFEDSA-N 0 1 289.398 3.674 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)N[C@H](C)c2cncs2)c1 ZINC000121641286 519749113 /nfs/dbraw/zinc/74/91/13/519749113.db2.gz RBFPZMIEEUHNAS-WDEREUQCSA-N 0 1 289.404 3.513 20 0 CHADMN CC(C)OC[C@H](C)NCc1cc(F)c(Cl)cc1F ZINC000337315341 519772991 /nfs/dbraw/zinc/77/29/91/519772991.db2.gz XCZWATZVRVEEAI-VIFPVBQESA-N 0 1 277.742 3.521 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)NCc2cncc(F)c2)c1 ZINC000275205575 519783414 /nfs/dbraw/zinc/78/34/14/519783414.db2.gz RGANGIRMTYCBJR-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN CC(C)c1ccccc1OCCN[C@@H](C)c1cscn1 ZINC000271411496 519847465 /nfs/dbraw/zinc/84/74/65/519847465.db2.gz ADYPJDVMEZHLCL-ZDUSSCGKSA-N 0 1 290.432 3.996 20 0 CHADMN CC(C)c1nc(CNC(C)(C)c2ccc(Cl)cc2)n[nH]1 ZINC000293321615 519863678 /nfs/dbraw/zinc/86/36/78/519863678.db2.gz WFHDKDJGAIXKQE-UHFFFAOYSA-N 0 1 292.814 3.606 20 0 CHADMN CC(C)c1nc(CN[C@@H](C)c2ccc3c(c2)CCCC3)n[nH]1 ZINC000293159658 519863714 /nfs/dbraw/zinc/86/37/14/519863714.db2.gz MVQJLCJASDTLFF-ZDUSSCGKSA-N 0 1 298.434 3.658 20 0 CHADMN CCCC1(CN[C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000128037374 519893345 /nfs/dbraw/zinc/89/33/45/519893345.db2.gz PSZDMSGKZKOZJC-OAHLLOKOSA-N 0 1 269.392 3.669 20 0 CHADMN CC(C)c1noc(CN[C@@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000275557229 519905050 /nfs/dbraw/zinc/90/50/50/519905050.db2.gz DCKAWEPLGAJSDY-HUUCEWRRSA-N 0 1 285.391 3.619 20 0 CHADMN Fc1ccc(CNCc2ccc3cc[nH]c3n2)cc1Cl ZINC000353220612 534467776 /nfs/dbraw/zinc/46/77/76/534467776.db2.gz OBKNBAGRGPHUNW-UHFFFAOYSA-N 0 1 289.741 3.645 20 0 CHADMN CC(C)n1nccc1CN1CC[C@H](c2cccc(F)c2)C1 ZINC000279619689 520105254 /nfs/dbraw/zinc/10/52/54/520105254.db2.gz JUYKGSGXGBBAQX-HNNXBMFYSA-N 0 1 287.382 3.593 20 0 CHADMN Fc1ccc(CNCc2cccc(C(F)(F)F)c2)nc1 ZINC000344903732 534468381 /nfs/dbraw/zinc/46/83/81/534468381.db2.gz KRZOSCMWKDNXQX-UHFFFAOYSA-N 0 1 284.256 3.529 20 0 CHADMN CC(C)n1nccc1CNCc1ccc(C(F)(F)F)cc1 ZINC000279940080 520107317 /nfs/dbraw/zinc/10/73/17/520107317.db2.gz NRNNMRNTIDEDSL-UHFFFAOYSA-N 0 1 297.324 3.773 20 0 CHADMN CC(C)n1nccc1CN1CCc2ccccc2[C@@H]1C ZINC000337196150 520107552 /nfs/dbraw/zinc/10/75/52/520107552.db2.gz WEEICCDUFYAYSH-AWEZNQCLSA-N 0 1 269.392 3.583 20 0 CHADMN CCOC[C@H](C)N[C@@H](C)c1ccccc1Br ZINC000044688795 520140464 /nfs/dbraw/zinc/14/04/64/520140464.db2.gz MNFHUJSWHZBCKE-QWRGUYRKSA-N 0 1 286.213 3.525 20 0 CHADMN Cc1ccsc1CNC(C)(C)c1c(C)noc1C ZINC000353128121 534474017 /nfs/dbraw/zinc/47/40/17/534474017.db2.gz QKWCGLMNVMPYLY-UHFFFAOYSA-N 0 1 264.394 3.686 20 0 CHADMN CCCCCN(CCCCC)C(=O)c1coc(CN)c1 ZINC000262768671 520163546 /nfs/dbraw/zinc/16/35/46/520163546.db2.gz GXCMJKCLOSKLDS-UHFFFAOYSA-N 0 1 280.412 3.561 20 0 CHADMN CCO[C@@H](CC[NH2+]Cc1cccc([O-])c1Cl)C(C)C ZINC000339290315 520303483 /nfs/dbraw/zinc/30/34/83/520303483.db2.gz MZPPRWCTVWXPJL-AWEZNQCLSA-N 0 1 285.815 3.586 20 0 CHADMN CCCOc1ccc(CN[C@@H](C)c2nccnc2C)c(C)c1 ZINC000276522479 520370951 /nfs/dbraw/zinc/37/09/51/520370951.db2.gz BXFPHPXICHGFQZ-HNNXBMFYSA-N 0 1 299.418 3.733 20 0 CHADMN CC1(C)CN(Cc2c[nH]c3nccnc23)[C@H]1c1cccs1 ZINC000291003843 520473280 /nfs/dbraw/zinc/47/32/80/520473280.db2.gz BEHJJCIDFSWLNZ-AWEZNQCLSA-N 0 1 298.415 3.603 20 0 CHADMN CC1(C)CN(Cc2cnc3ccccc3c2)[C@@H]1[C@H]1CCCO1 ZINC000289730592 520486274 /nfs/dbraw/zinc/48/62/74/520486274.db2.gz KCEDMUQODCQJHN-QZTJIDSGSA-N 0 1 296.414 3.624 20 0 CHADMN CCCC[N@@H+](CCC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000236731294 520487345 /nfs/dbraw/zinc/48/73/45/520487345.db2.gz UXQCZOWBXCSCDF-HNNXBMFYSA-N 0 1 263.381 3.715 20 0 CHADMN Fc1ccc2c(c1)nccc2N1Cc2ccccc2C1 ZINC000113247597 534504498 /nfs/dbraw/zinc/50/44/98/534504498.db2.gz QOIUYMRGCKTVKP-UHFFFAOYSA-N 0 1 264.303 3.894 20 0 CHADMN Cc1ccc2nc(CNCc3ccc([C@H]4C[C@H]4C)o3)[nH]c2c1 ZINC000344741632 534505076 /nfs/dbraw/zinc/50/50/76/534505076.db2.gz ODCGESCQLDXGMK-OCCSQVGLSA-N 0 1 295.386 3.878 20 0 CHADMN CC1=CC[C@H](N[C@H](c2nc(C3CC3)no2)C(C)C)CC1 ZINC000293507459 520876663 /nfs/dbraw/zinc/87/66/63/520876663.db2.gz BWVZPUBHBBFUPF-KBPBESRZSA-N 0 1 275.396 3.733 20 0 CHADMN CC1=C[C@H](C)C[C@H](CN(C)Cc2nccn2C(F)F)C1 ZINC000290515459 520885858 /nfs/dbraw/zinc/88/58/58/520885858.db2.gz UFPULKGITZPLAI-AAEUAGOBSA-N 0 1 283.366 3.702 20 0 CHADMN CCCCOc1ccccc1CNC1CC(F)(F)C1 ZINC000277431110 520911791 /nfs/dbraw/zinc/91/17/91/520911791.db2.gz HKTPXZQKGCPQGS-UHFFFAOYSA-N 0 1 269.335 3.753 20 0 CHADMN CCCCOc1ccccc1NCc1[nH]ncc1C ZINC000289502476 520914874 /nfs/dbraw/zinc/91/48/74/520914874.db2.gz MCZKZHIZZKJSDY-UHFFFAOYSA-N 0 1 259.353 3.509 20 0 CHADMN CCCC[C@@H](C)[C@@H](C)NCc1ncc(C(F)(F)F)cn1 ZINC000295136523 521011384 /nfs/dbraw/zinc/01/13/84/521011384.db2.gz ZEEGRTOAOYEYED-GHMZBOCLSA-N 0 1 289.345 3.800 20 0 CHADMN CCCC[C@H](C)N(C)C(=O)c1c[nH]c2ccccc2c1=O ZINC000291390140 521143022 /nfs/dbraw/zinc/14/30/22/521143022.db2.gz XLAMERZPWMUCNV-LBPRGKRZSA-N 0 1 286.375 3.591 20 0 CHADMN CCC[C@H](N[C@@H](C)c1nccs1)[C@H](O)c1ccccc1 ZINC000280170974 521169914 /nfs/dbraw/zinc/16/99/14/521169914.db2.gz RDFVPPCIXITTPT-AEGPPILISA-N 0 1 290.432 3.696 20 0 CHADMN CCC[C@H](N[C@@H](C)c1cscn1)[C@H](O)c1ccccc1 ZINC000280034989 521170320 /nfs/dbraw/zinc/17/03/20/521170320.db2.gz ILQKJPKXRUQEJC-DUVNUKRYSA-N 0 1 290.432 3.696 20 0 CHADMN CCCC[C@H](NCc1ccnc(C)n1)c1ccc(OC)cc1 ZINC000339242846 521238785 /nfs/dbraw/zinc/23/87/85/521238785.db2.gz XXXBVHXQEQIQJA-SFHVURJKSA-N 0 1 299.418 3.815 20 0 CHADMN CCN(Cc1c(C)noc1C)Cc1ccc(Cl)cc1 ZINC000299379852 521277618 /nfs/dbraw/zinc/27/76/18/521277618.db2.gz NHXIUCBDMURSAJ-UHFFFAOYSA-N 0 1 278.783 3.967 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2csc(C)n2)C1 ZINC000340690862 521311116 /nfs/dbraw/zinc/31/11/16/521311116.db2.gz JAKMHWYJEPWWBM-CQSZACIVSA-N 0 1 252.427 3.854 20 0 CHADMN CCN(Cc1cccc(Cl)c1)Cc1ccccn1 ZINC000264279096 521343929 /nfs/dbraw/zinc/34/39/29/521343929.db2.gz OCSORNBHJNQTTM-UHFFFAOYSA-N 0 1 260.768 3.757 20 0 CHADMN CCOc1ccccc1CN[C@@H]1CCCc2c(O)cccc21 ZINC000276692849 521504414 /nfs/dbraw/zinc/50/44/14/521504414.db2.gz AJXUOUZSQLNDQZ-QGZVFWFLSA-N 0 1 297.398 3.958 20 0 CHADMN CCOC1(C)CCN(Cc2ccc(Cl)cc2OC)CC1 ZINC000298214960 521635281 /nfs/dbraw/zinc/63/52/81/521635281.db2.gz FBUJSKUOIOTUBB-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN Cc1occc1CN[C@@H]1CCCOc2cc(F)ccc21 ZINC000335979105 534581896 /nfs/dbraw/zinc/58/18/96/534581896.db2.gz JRFFEHUBQHIHKU-OAHLLOKOSA-N 0 1 275.323 3.731 20 0 CHADMN CCOCCCCNc1cc(C)nc2ccc(F)cc21 ZINC000121654070 521703810 /nfs/dbraw/zinc/70/38/10/521703810.db2.gz OAJMWAKTYYFJMO-UHFFFAOYSA-N 0 1 276.355 3.911 20 0 CHADMN CCS[C@H](C(=O)Nc1cc2cn[nH]c2cc1C)C(C)C ZINC000276842141 521728419 /nfs/dbraw/zinc/72/84/19/521728419.db2.gz XKZMJNIRTKZCNW-AWEZNQCLSA-N 0 1 291.420 3.588 20 0 CHADMN CCSc1cc(CN[C@@H](C)c2cnccc2C)ccn1 ZINC000275120550 521734080 /nfs/dbraw/zinc/73/40/80/521734080.db2.gz KNMDHTRXISCZHU-ZDUSSCGKSA-N 0 1 287.432 3.748 20 0 CHADMN CCSc1cccc(CNCc2occc2C)c1 ZINC000291803996 521761278 /nfs/dbraw/zinc/76/12/78/521761278.db2.gz XMNJMLKXKANIGR-UHFFFAOYSA-N 0 1 261.390 3.990 20 0 CHADMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000263581107 521805520 /nfs/dbraw/zinc/80/55/20/521805520.db2.gz WSXUIGKTSZDUJC-QWHCGFSZSA-N 0 1 275.392 3.784 20 0 CHADMN Cc1nc([C@H](C)N2CCC[C@]3(CCSC3)C2)cs1 ZINC000334667549 534592067 /nfs/dbraw/zinc/59/20/67/534592067.db2.gz DBIFDNKZFJIKSM-FZMZJTMJSA-N 0 1 282.478 3.732 20 0 CHADMN COc1c(Cl)cc(NCc2[nH]ncc2C)cc1Cl ZINC000289483250 521842295 /nfs/dbraw/zinc/84/22/95/521842295.db2.gz KGINYCGOQLZABM-UHFFFAOYSA-N 0 1 286.162 3.646 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2cccs2)n[nH]1 ZINC000277249966 522052400 /nfs/dbraw/zinc/05/24/00/522052400.db2.gz NWHNXLXVLRVOFR-HBNTYKKESA-N 0 1 278.425 3.792 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)Nc2nc3ccccc3o2)n[nH]1 ZINC000277532205 522056558 /nfs/dbraw/zinc/05/65/58/522056558.db2.gz YLTDUGPYRMBIGB-UWVGGRQHSA-N 0 1 285.351 3.633 20 0 CHADMN CCc1nc(C)c(CN[C@H](c2ccccc2)C2CC2)o1 ZINC000291926786 522211866 /nfs/dbraw/zinc/21/18/66/522211866.db2.gz OJFLONMGAQEEFI-QGZVFWFLSA-N 0 1 270.376 3.786 20 0 CHADMN COc1cc(C)c([C@H](C)NCc2occc2C)cc1OC ZINC000266200397 522232338 /nfs/dbraw/zinc/23/23/38/522232338.db2.gz LANMRHLSFNKXOK-ZDUSSCGKSA-N 0 1 289.375 3.764 20 0 CHADMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000263581105 522287661 /nfs/dbraw/zinc/28/76/61/522287661.db2.gz WSXUIGKTSZDUJC-CHWSQXEVSA-N 0 1 275.392 3.784 20 0 CHADMN CN(C)c1ccccc1CNCc1sccc1Cl ZINC000278549770 522290868 /nfs/dbraw/zinc/29/08/68/522290868.db2.gz UYPOUZUZKUTSBU-UHFFFAOYSA-N 0 1 280.824 3.757 20 0 CHADMN CC[C@H](Cc1ccccc1)N(C)Cc1nnc(C(C)C)o1 ZINC000128735285 522309248 /nfs/dbraw/zinc/30/92/48/522309248.db2.gz ZVSVOBPMKWEQBM-OAHLLOKOSA-N 0 1 287.407 3.646 20 0 CHADMN COc1cc(CN(C)Cc2ccc(Cl)s2)ccc1O ZINC000080873662 522349855 /nfs/dbraw/zinc/34/98/55/522349855.db2.gz TVMMXWIKOQNLKX-UHFFFAOYSA-N 0 1 297.807 3.748 20 0 CHADMN COC[C@@H](N[C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000291133365 522380418 /nfs/dbraw/zinc/38/04/18/522380418.db2.gz GZEBWNUGBBLQDV-RBUKOAKNSA-N 0 1 297.398 3.747 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2ccccc2Cl)n[nH]1 ZINC000277055867 522440941 /nfs/dbraw/zinc/44/09/41/522440941.db2.gz BCGMHSNGFRWRNJ-MNOVXSKESA-N 0 1 292.814 3.822 20 0 CHADMN CCc1nc([C@H](C)N[C@H]2CCC(C)(C)c3ccccc32)n[nH]1 ZINC000280932298 522456666 /nfs/dbraw/zinc/45/66/66/522456666.db2.gz RUPWWTFVCNVQRA-WFASDCNBSA-N 0 1 298.434 3.830 20 0 CHADMN CCc1nc([C@H](C)N[C@H]2C[C@H](C(C)C)c3ccccc32)n[nH]1 ZINC000278858220 522457595 /nfs/dbraw/zinc/45/75/95/522457595.db2.gz WEBITNNJFJXMPM-MAZHCROVSA-N 0 1 298.434 3.902 20 0 CHADMN CCc1nc2c(s1)[C@@H](NCc1occc1C)CCC2 ZINC000293780563 522475993 /nfs/dbraw/zinc/47/59/93/522475993.db2.gz TXCVRSPELUYNQZ-NSHDSACASA-N 0 1 276.405 3.774 20 0 CHADMN CC[C@@H](COC)NCc1csc(Cl)c1Cl ZINC000309187064 522595974 /nfs/dbraw/zinc/59/59/74/522595974.db2.gz OZXACTJXDGPQCG-QMMMGPOBSA-N 0 1 268.209 3.570 20 0 CHADMN CC[C@H](NCc1ccco1)c1ccc(OC)c(OC)c1 ZINC000020084104 522659555 /nfs/dbraw/zinc/65/95/55/522659555.db2.gz OUGRAIZTWSESMY-AWEZNQCLSA-N 0 1 275.348 3.538 20 0 CHADMN CC[C@H](N[C@H](C)c1nnc2ccccn21)c1ccccc1 ZINC000036969135 522744528 /nfs/dbraw/zinc/74/45/28/522744528.db2.gz MITVVBROHFVOEG-HIFRSBDPSA-N 0 1 280.375 3.531 20 0 CHADMN COC[C@H](NCc1cc(Cl)cs1)c1ccccc1 ZINC000193103520 522746846 /nfs/dbraw/zinc/74/68/46/522746846.db2.gz NPBDSWYWWSOIRL-AWEZNQCLSA-N 0 1 281.808 3.879 20 0 CHADMN COC[C@H](N[C@H](c1ccc(C)cc1)c1ccccn1)C(C)C ZINC000279959608 522768395 /nfs/dbraw/zinc/76/83/95/522768395.db2.gz CGKMUNLCMJWAIS-RBUKOAKNSA-N 0 1 298.430 3.740 20 0 CHADMN CC[C@H](OC1CCCC1)c1nc([C@@H](N)CC(C)C)no1 ZINC000339387786 522854240 /nfs/dbraw/zinc/85/42/40/522854240.db2.gz PESMAMSYIPSFBI-STQMWFEESA-N 0 1 281.400 3.526 20 0 CHADMN COCC1(C)CCN(Cc2c(Cl)cccc2OC)CC1 ZINC000338284099 522855624 /nfs/dbraw/zinc/85/56/24/522855624.db2.gz JKBACZFPVIFKMU-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN CC[C@@H](NCc1ncccc1N(C)C)c1cccc(F)c1 ZINC000289719442 522896042 /nfs/dbraw/zinc/89/60/42/522896042.db2.gz JOCSIYGSKSJESW-OAHLLOKOSA-N 0 1 287.382 3.528 20 0 CHADMN CCc1nocc1CNCc1ccc2[nH]c(C)c(C)c2c1 ZINC000339200495 522948133 /nfs/dbraw/zinc/94/81/33/522948133.db2.gz IMJIKIJQDDQXTB-UHFFFAOYSA-N 0 1 283.375 3.625 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2c[nH]nc21)c1cccc(F)c1 ZINC000275861239 522948792 /nfs/dbraw/zinc/94/87/92/522948792.db2.gz MTEPGMQMLMOYGP-CABCVRRESA-N 0 1 273.355 3.667 20 0 CHADMN CCc1nocc1CNCc1ccc(-c2cccnc2)cc1 ZINC000339289691 522950049 /nfs/dbraw/zinc/95/00/49/522950049.db2.gz GUWXLLWYZGUXBJ-UHFFFAOYSA-N 0 1 293.370 3.589 20 0 CHADMN CCc1nocc1CNc1ccc(Cl)c(CN(C)C)c1 ZINC000339385972 522958076 /nfs/dbraw/zinc/95/80/76/522958076.db2.gz BYMMVIBELHQFMX-UHFFFAOYSA-N 0 1 293.798 3.564 20 0 CHADMN CC[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N(C)C ZINC000276347008 522977857 /nfs/dbraw/zinc/97/78/57/522977857.db2.gz QZEBSNQJEZJCND-LLVKDONJSA-N 0 1 299.296 3.768 20 0 CHADMN CC[C@H]1CCN(Cc2csc(-c3ccco3)n2)C1 ZINC000125754097 523164917 /nfs/dbraw/zinc/16/49/17/523164917.db2.gz KQRPMMFCADBPDB-NSHDSACASA-N 0 1 262.378 3.635 20 0 CHADMN Cc1cccc(CN(C)C/C=C\c2ccc(F)c(F)c2)n1 ZINC000347864885 534701389 /nfs/dbraw/zinc/70/13/89/534701389.db2.gz LXRYEOLXGYHBOE-XQRVVYSFSA-N 0 1 288.341 3.813 20 0 CHADMN CCn1cc(CNCc2ccc(-c3ccccc3)cc2)cn1 ZINC000353098699 523385011 /nfs/dbraw/zinc/38/50/11/523385011.db2.gz PYTSXJUMGWXQQP-UHFFFAOYSA-N 0 1 291.398 3.860 20 0 CHADMN CN(Cc1csc(C(C)(C)C)n1)CC1CCC1 ZINC000111296481 523524338 /nfs/dbraw/zinc/52/43/38/523524338.db2.gz CXQLJPKXQNCUGU-UHFFFAOYSA-N 0 1 252.427 3.673 20 0 CHADMN CCc1ccc(CNCc2cccc(C(F)(F)F)n2)cc1 ZINC000294811672 523941866 /nfs/dbraw/zinc/94/18/66/523941866.db2.gz NVIZJWSIPZYJCJ-UHFFFAOYSA-N 0 1 294.320 3.953 20 0 CHADMN CCc1ccc(CNCc2ccc(OC(F)F)cc2)o1 ZINC000051721795 523942194 /nfs/dbraw/zinc/94/21/94/523942194.db2.gz DESJNZKSIBYCJV-UHFFFAOYSA-N 0 1 281.302 3.733 20 0 CHADMN CCc1ccc(CN[C@H](C)c2n[nH]c([C@H](C)CC)n2)cc1 ZINC000277454742 523946013 /nfs/dbraw/zinc/94/60/13/523946013.db2.gz PRFZSPZXBLMKFG-CHWSQXEVSA-N 0 1 286.423 3.731 20 0 CHADMN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NCc1conc1C ZINC000339270831 523956451 /nfs/dbraw/zinc/95/64/51/523956451.db2.gz JYSVGWKZHKPDBU-NHYWBVRUSA-N 0 1 294.782 3.502 20 0 CHADMN CCc1ccc([C@@H](C)c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000339388955 524028104 /nfs/dbraw/zinc/02/81/04/524028104.db2.gz MDUVONMTERZKHY-DOMZBBRYSA-N 0 1 287.407 3.830 20 0 CHADMN CCc1ccc([C@@H]2CCCN(Cc3cocn3)C2)cc1 ZINC000289662088 524036343 /nfs/dbraw/zinc/03/63/43/524036343.db2.gz NHHSHOFXPVBPIG-MRXNPFEDSA-N 0 1 270.376 3.617 20 0 CHADMN COc1ccc(CNCc2ccc3ccccc3n2)cc1F ZINC000340406221 524072781 /nfs/dbraw/zinc/07/27/81/524072781.db2.gz AEDRBTNUWWFSTP-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN C[C@@H](C(=O)NO[C@H]1CCCCO1)c1ccc2ccccc2c1 ZINC000084591076 524221054 /nfs/dbraw/zinc/22/10/54/524221054.db2.gz NABIBRVSIBDHDF-DYVFJYSZSA-N 0 1 299.370 3.518 20 0 CHADMN Cc1cccc(C(C)(C)NCc2ccc(F)cn2)c1 ZINC000276314903 524232006 /nfs/dbraw/zinc/23/20/06/524232006.db2.gz YXSDHHUTBXPRDR-UHFFFAOYSA-N 0 1 258.340 3.554 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1csc(-c2ccccn2)n1 ZINC000075021169 524362659 /nfs/dbraw/zinc/36/26/59/524362659.db2.gz SFOMIHYZMHJHPF-BETUJISGSA-N 0 1 287.432 3.968 20 0 CHADMN Cc1cccc(Cl)c1NC(=O)c1ccc2cncn2c1 ZINC000339894653 524488208 /nfs/dbraw/zinc/48/82/08/524488208.db2.gz FBFOPDTVMJQNNX-UHFFFAOYSA-N 0 1 285.734 3.548 20 0 CHADMN COc1ccccc1CN[C@@H](C)c1cc(C)ccc1OC ZINC000019903271 524491285 /nfs/dbraw/zinc/49/12/85/524491285.db2.gz ITIFNZZQOAKSKR-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN C[C@@H](CCNCc1nccc(C(F)F)n1)c1ccccc1 ZINC000290065242 524498933 /nfs/dbraw/zinc/49/89/33/524498933.db2.gz FNTQDYDWDZGQAX-LBPRGKRZSA-N 0 1 291.345 3.698 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(Cl)cn2)s1 ZINC000274925831 524605986 /nfs/dbraw/zinc/60/59/86/524605986.db2.gz PXGWPVIOYAMAQI-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN Cc1ccc(CN[C@H]2CCSc3c(F)cccc32)cn1 ZINC000062051344 524610218 /nfs/dbraw/zinc/61/02/18/524610218.db2.gz WPJQPEBHEFYELS-HNNXBMFYSA-N 0 1 288.391 3.856 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)[C@H]2c2cccc(F)c2)ncn1 ZINC000292365684 524703065 /nfs/dbraw/zinc/70/30/65/524703065.db2.gz GCPLGFAYWUMODC-PXAZEXFGSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1cc(CN2CC[C@@H](CSc3ccccc3)C2)no1 ZINC000075965016 524703663 /nfs/dbraw/zinc/70/36/63/524703663.db2.gz RZLTXEYPAUIKKC-CQSZACIVSA-N 0 1 288.416 3.597 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc(C3CC3)c2)nc(C)n1 ZINC000340381906 524766574 /nfs/dbraw/zinc/76/65/74/524766574.db2.gz HNUBZPVCWUFSKF-ZDUSSCGKSA-N 0 1 281.403 3.822 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(F)cc2)C2CCC2)ncn1 ZINC000293113405 524769948 /nfs/dbraw/zinc/76/99/48/524769948.db2.gz KATMJPXSXLKQMP-QGZVFWFLSA-N 0 1 285.366 3.555 20 0 CHADMN Cc1cc(CN[C@H]2c3cccc(F)c3CC[C@@H]2C)on1 ZINC000125510968 524786423 /nfs/dbraw/zinc/78/64/23/524786423.db2.gz GQWJLLLSHHZDDS-MGPLVRAMSA-N 0 1 274.339 3.535 20 0 CHADMN COc1ccc(OC)c(CN[C@@H](C)c2cccs2)c1 ZINC000020148496 524839587 /nfs/dbraw/zinc/83/95/87/524839587.db2.gz PCHSYRPHMALCFA-NSHDSACASA-N 0 1 277.389 3.616 20 0 CHADMN Cc1cc(Cl)cc(CNCc2cnn3ccccc23)c1 ZINC000339393620 524872164 /nfs/dbraw/zinc/87/21/64/524872164.db2.gz LPVBRIKGELUIFO-UHFFFAOYSA-N 0 1 285.778 3.586 20 0 CHADMN C[C@@H]1C[C@@H](NCc2nc3cc(Cl)ccc3s2)[C@H](C)O1 ZINC000296426388 525271633 /nfs/dbraw/zinc/27/16/33/525271633.db2.gz MXMUJTHTGOPTRZ-WCABBAIRSA-N 0 1 296.823 3.605 20 0 CHADMN Cc1cc(N[C@H]2CCOC[C@H]2C)c2cc(F)ccc2n1 ZINC000277403557 525304586 /nfs/dbraw/zinc/30/45/86/525304586.db2.gz HGJJLTCXRCCPIN-YGRLFVJLSA-N 0 1 274.339 3.519 20 0 CHADMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccsc1 ZINC000061363369 525307385 /nfs/dbraw/zinc/30/73/85/525307385.db2.gz IHXSJSINQFGOID-JTQLQIEISA-N 0 1 294.807 3.691 20 0 CHADMN Cc1ccc(N[C@@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000292052933 525312194 /nfs/dbraw/zinc/31/21/94/525312194.db2.gz GDNBEJIQFUZKAW-OAHLLOKOSA-N 0 1 270.380 3.847 20 0 CHADMN COc1ccc([C@H](C)NC2(c3ccccc3)CC2)cc1O ZINC000290668610 525317749 /nfs/dbraw/zinc/31/77/49/525317749.db2.gz LCQHGUKASFXGID-ZDUSSCGKSA-N 0 1 283.371 3.741 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cccnc2)c(F)c1 ZINC000037228951 525328139 /nfs/dbraw/zinc/32/81/39/525328139.db2.gz YCYCMUAQNZKNCR-RYUDHWBXSA-N 0 1 274.339 3.641 20 0 CHADMN Cc1ccccc1[C@@H](C)Cc1nc([C@H](N)CC(C)C)no1 ZINC000339395124 525346952 /nfs/dbraw/zinc/34/69/52/525346952.db2.gz KLNUDCCTVBTYSU-DZGCQCFKSA-N 0 1 287.407 3.770 20 0 CHADMN C[C@H](NC[C@H]1CCC=CO1)c1nc(C(F)(F)F)cs1 ZINC000275622496 525412834 /nfs/dbraw/zinc/41/28/34/525412834.db2.gz AGFXFEKQBYBSRG-DTWKUNHWSA-N 0 1 292.326 3.505 20 0 CHADMN Cc1ccccc1[C@H]1C[C@H](C)N(Cc2nnc(C(C)C)o2)C1 ZINC000076387213 525446898 /nfs/dbraw/zinc/44/68/98/525446898.db2.gz JWQUZVIMORYXJK-GJZGRUSLSA-N 0 1 299.418 3.879 20 0 CHADMN C[C@H](NCc1cccc2c1OCCCO2)c1ccsc1 ZINC000061361239 525458831 /nfs/dbraw/zinc/45/88/31/525458831.db2.gz UZUKNFQEOJCTMX-LBPRGKRZSA-N 0 1 289.400 3.760 20 0 CHADMN Cc1cc([C@@H](C)NCc2cncs2)c(C)s1 ZINC000054771066 525469830 /nfs/dbraw/zinc/46/98/30/525469830.db2.gz ACJOIQOVQRESDZ-SECBINFHSA-N 0 1 252.408 3.672 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1CCCCC1(C)C ZINC000279810258 525470915 /nfs/dbraw/zinc/47/09/15/525470915.db2.gz UFLAHUIJNMRWEN-VIFPVBQESA-N 0 1 285.338 3.811 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2nccnc2C)ccc1F ZINC000275882089 525473444 /nfs/dbraw/zinc/47/34/44/525473444.db2.gz PIFFUPPUWLBDPS-DGCLKSJQSA-N 0 1 273.355 3.644 20 0 CHADMN Cc1[nH]ncc1C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 ZINC000278418604 525484660 /nfs/dbraw/zinc/48/46/60/525484660.db2.gz MWGLFFKGWHMIFA-CQSZACIVSA-N 0 1 283.375 3.508 20 0 CHADMN C[C@@H](NCc1cc(O)cc(C(F)(F)F)c1)c1cccnc1 ZINC000289975527 525513593 /nfs/dbraw/zinc/51/35/93/525513593.db2.gz RJPLYUIJBTWQKB-SNVBAGLBSA-N 0 1 296.292 3.657 20 0 CHADMN Cc1cc([C@H](C)NCc2cccc(N(C)C)c2)oc1C ZINC000337510119 525524056 /nfs/dbraw/zinc/52/40/56/525524056.db2.gz IIOIDDXOKSGKFV-ZDUSSCGKSA-N 0 1 272.392 3.813 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2N[C@@H](C)c1nccnc1C ZINC000275660243 525524270 /nfs/dbraw/zinc/52/42/70/525524270.db2.gz BDCHUNZDGNICMX-SUMWQHHRSA-N 0 1 297.402 3.522 20 0 CHADMN Cc1cccnc1CN[C@H](C)c1ccc(Cl)cc1 ZINC000071339259 525525325 /nfs/dbraw/zinc/52/53/25/525525325.db2.gz JENWWXUSEVWLMA-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN C[C@@H](NCc1ccc(OC(F)F)cc1)c1ccco1 ZINC000020145337 525528295 /nfs/dbraw/zinc/52/82/95/525528295.db2.gz ZNLODIGOLBSPSF-SNVBAGLBSA-N 0 1 267.275 3.732 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c(C)o1 ZINC000278668075 525530696 /nfs/dbraw/zinc/53/06/96/525530696.db2.gz JBRSNVJNFAKSLQ-WDEREUQCSA-N 0 1 276.384 3.550 20 0 CHADMN Cc1cc([C@H](C)Nc2cc(C(=O)[O-])cc[nH+]2)c(C)s1 ZINC000049512145 525531963 /nfs/dbraw/zinc/53/19/63/525531963.db2.gz JRFJGTUSFNASME-VIFPVBQESA-N 0 1 276.361 3.631 20 0 CHADMN C[C@@H](NCc1ccco1)c1cccc(N2CCCC2)c1 ZINC000088764987 525543670 /nfs/dbraw/zinc/54/36/70/525543670.db2.gz IMZPUNSZHXJFDN-CQSZACIVSA-N 0 1 270.376 3.731 20 0 CHADMN C[C@@H](NCc1cccs1)c1ccc(Br)cn1 ZINC000279666478 525544451 /nfs/dbraw/zinc/54/44/51/525544451.db2.gz HBKNFAUWGALJQP-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN C[C@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccccn1 ZINC000089214108 525564143 /nfs/dbraw/zinc/56/41/43/525564143.db2.gz HGWIORKCIBBHAY-YVEFUNNKSA-N 0 1 270.351 3.949 20 0 CHADMN C[C@@H]1OCCN(Cc2csc3ccccc23)[C@H]1C ZINC000156068490 525567214 /nfs/dbraw/zinc/56/72/14/525567214.db2.gz ZKBVITMLMDVTOV-RYUDHWBXSA-N 0 1 261.390 3.511 20 0 CHADMN C[C@H](N[C@@H]1CCOC1)c1cc(F)c(Cl)cc1Cl ZINC000131335916 525570803 /nfs/dbraw/zinc/57/08/03/525570803.db2.gz BJBYXTQHVSEDLN-JGVFFNPUSA-N 0 1 278.154 3.572 20 0 CHADMN C[C@H](N[C@H]1CCCc2ccccc21)c1nccs1 ZINC000070984366 525614206 /nfs/dbraw/zinc/61/42/06/525614206.db2.gz HZOIXCTUSKGOAF-FZMZJTMJSA-N 0 1 258.390 3.871 20 0 CHADMN C[C@@H](N[C@@H](C)c1csc(Cl)c1)c1cnn(C)c1 ZINC000276384893 525622985 /nfs/dbraw/zinc/62/29/85/525622985.db2.gz QPLJUWLMZMNWFS-DTWKUNHWSA-N 0 1 269.801 3.547 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@@H]2C2CCCC2)c1 ZINC000338682136 525631012 /nfs/dbraw/zinc/63/10/12/525631012.db2.gz WCCZINYVJJPVBK-MRXNPFEDSA-N 0 1 297.402 3.666 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC000338640246 525631329 /nfs/dbraw/zinc/63/13/29/525631329.db2.gz UFHOWTIJMJQBAJ-ZDUSSCGKSA-N 0 1 293.370 3.705 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)Nc2cc(F)ccc2C)c1 ZINC000338641384 525633227 /nfs/dbraw/zinc/63/32/27/525633227.db2.gz IRQIFIMFHNBKTK-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2ccc(O)cc21)c1ccccn1 ZINC000235207430 525640048 /nfs/dbraw/zinc/64/00/48/525640048.db2.gz SSYYSQFEGFGOML-SJKOYZFVSA-N 0 1 268.360 3.515 20 0 CHADMN C[C@@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1ccncc1 ZINC000296350810 525652597 /nfs/dbraw/zinc/65/25/97/525652597.db2.gz IGKFHYSPFOPMGB-XJKCOSOUSA-N 0 1 268.360 3.645 20 0 CHADMN C[C@@H](N[C@H]1CCCc2sccc21)c1ccccn1 ZINC000061325003 525681575 /nfs/dbraw/zinc/68/15/75/525681575.db2.gz DYXSCPYCBMYNOW-RISCZKNCSA-N 0 1 258.390 3.871 20 0 CHADMN Cc1cc[nH]c1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000280500942 525709005 /nfs/dbraw/zinc/70/90/05/525709005.db2.gz CBMPYJBANMMHHR-UHFFFAOYSA-N 0 1 294.358 3.719 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2nccnc2C)cc1 ZINC000187798858 525742166 /nfs/dbraw/zinc/74/21/66/525742166.db2.gz AGKXUTVKBXLOCE-OCCSQVGLSA-N 0 1 255.365 3.505 20 0 CHADMN C[C@@](O)(CNCc1c(F)cccc1Cl)c1cccs1 ZINC000265793176 525774054 /nfs/dbraw/zinc/77/40/54/525774054.db2.gz RAPPKDJISPXVCT-CQSZACIVSA-N 0 1 299.798 3.538 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)C(C)(F)F)c2C)o1 ZINC000295001153 525789718 /nfs/dbraw/zinc/78/97/18/525789718.db2.gz AUEYJLJMBJMKAN-SECBINFHSA-N 0 1 297.305 3.516 20 0 CHADMN C[C@H](O)C[C@@H]1CCCN1Cc1cscc1C(F)(F)F ZINC000356108905 525797785 /nfs/dbraw/zinc/79/77/85/525797785.db2.gz JUFFGSAFUYBKNX-ONGXEEELSA-N 0 1 293.354 3.502 20 0 CHADMN Cc1ccoc1CNCc1ccc(C(C)(F)F)cc1 ZINC000292939161 525803144 /nfs/dbraw/zinc/80/31/44/525803144.db2.gz JTKJQFBPQJFJMT-UHFFFAOYSA-N 0 1 265.303 3.990 20 0 CHADMN COc1cccc(C2(NCc3ccsc3)CC2)c1 ZINC000150904499 525852815 /nfs/dbraw/zinc/85/28/15/525852815.db2.gz RCSNGEHTOZALJQ-UHFFFAOYSA-N 0 1 259.374 3.536 20 0 CHADMN C[C@H](O)c1ccc(CN[C@@H](C)c2ccc(Cl)cn2)cc1 ZINC000274902691 525853873 /nfs/dbraw/zinc/85/38/73/525853873.db2.gz LNBCIEBBDKKKIB-RYUDHWBXSA-N 0 1 290.794 3.639 20 0 CHADMN Cc1ccsc1[C@@H](CO)NCc1sccc1Cl ZINC000338562985 525874077 /nfs/dbraw/zinc/87/40/77/525874077.db2.gz GVAMIDNPGQLAJL-SNVBAGLBSA-N 0 1 287.837 3.595 20 0 CHADMN Cc1ccc([C@H](N[C@H]2CCSC2)c2ccccn2)cc1 ZINC000279681808 525972666 /nfs/dbraw/zinc/97/26/66/525972666.db2.gz OUOOVLIDEZKXBX-RDJZCZTQSA-N 0 1 284.428 3.575 20 0 CHADMN CSc1ccc(C)c(-c2nc([C@H](N)CC(C)C)no2)c1 ZINC000339387853 525973435 /nfs/dbraw/zinc/97/34/35/525973435.db2.gz POLMAZOATSSRET-CYBMUJFWSA-N 0 1 291.420 3.813 20 0 CHADMN Cc1cnc(C(C)(C)NCc2cccc3cc[nH]c32)s1 ZINC000237896505 525981794 /nfs/dbraw/zinc/98/17/94/525981794.db2.gz CCCSNBVZOAIGCG-UHFFFAOYSA-N 0 1 285.416 3.958 20 0 CHADMN Cc1ccc([C@H]2CCCCCN2Cc2c(C)cnn2C)o1 ZINC000290028717 525990033 /nfs/dbraw/zinc/99/00/33/525990033.db2.gz NFTGVPSDKZPSBZ-OAHLLOKOSA-N 0 1 287.407 3.747 20 0 CHADMN COc1cccc(CNC(C)(C)c2ccccc2F)c1 ZINC000291656214 526010080 /nfs/dbraw/zinc/01/00/80/526010080.db2.gz DMLZSUSSDXCXSN-UHFFFAOYSA-N 0 1 273.351 3.859 20 0 CHADMN Cc1cnc(CN2CCC[C@@H]2c2cccc(C)c2C)nc1 ZINC000340822712 526018462 /nfs/dbraw/zinc/01/84/62/526018462.db2.gz SIRFKWDQAFVMDI-QGZVFWFLSA-N 0 1 281.403 3.739 20 0 CHADMN Cc1cn[nH]c1CN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000290358586 526020181 /nfs/dbraw/zinc/02/01/81/526020181.db2.gz GLVFLGSKYRYAFN-ABAIWWIYSA-N 0 1 285.391 3.599 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC([C@H]2CCOC2)CC1 ZINC000365037055 526028328 /nfs/dbraw/zinc/02/83/28/526028328.db2.gz NIUQOKJQKRTLEU-JSGCOSHPSA-N 0 1 295.373 3.774 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CC[C@@H](O)CC(C)(C)C1 ZINC000295612499 526028471 /nfs/dbraw/zinc/02/84/71/526028471.db2.gz YJPFYJQODBSTMM-NWDGAFQWSA-N 0 1 283.362 3.509 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(OCC(F)(F)F)c(C)c1 ZINC000289437095 526034777 /nfs/dbraw/zinc/03/47/77/526034777.db2.gz FLNWJIKDNIAPTQ-UHFFFAOYSA-N 0 1 299.296 3.580 20 0 CHADMN Cc1ccc(C(=O)CCN2CCC(F)(F)[C@@H](C)C2)cc1 ZINC000289957347 526041839 /nfs/dbraw/zinc/04/18/39/526041839.db2.gz WHPZKBTXSMNWII-ZDUSSCGKSA-N 0 1 281.346 3.545 20 0 CHADMN Cc1cc(-c2noc(CN3[C@@H](C)CC[C@@H]3C)n2)ccc1F ZINC000151839502 526065378 /nfs/dbraw/zinc/06/53/78/526065378.db2.gz AXQDJHKCHBLUPF-RYUDHWBXSA-N 0 1 289.354 3.557 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)[N@@H+](CCC(=O)[O-])C1CC1 ZINC000083663438 526065670 /nfs/dbraw/zinc/06/56/70/526065670.db2.gz FAJCNCWNEXPSSF-ZDUSSCGKSA-N 0 1 283.371 3.840 20 0 CHADMN Cc1cnc([C@H](C)NCCC(=O)c2ccc(C)cc2)s1 ZINC000274802480 526156426 /nfs/dbraw/zinc/15/64/26/526156426.db2.gz FOYQLTKZUNEGHX-ZDUSSCGKSA-N 0 1 288.416 3.684 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@H]2NCc1cccc(O)c1 ZINC000154406514 526175903 /nfs/dbraw/zinc/17/59/03/526175903.db2.gz XCKOCLYOIQOLCT-QGZVFWFLSA-N 0 1 283.371 3.704 20 0 CHADMN Cc1cncc(CN[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000131115049 526205028 /nfs/dbraw/zinc/20/50/28/526205028.db2.gz QBIHOUACWHVSII-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN FC(F)n1c2ccccc2nc1CN1CCC2(CC2)CC1 ZINC000366678068 526270044 /nfs/dbraw/zinc/27/00/44/526270044.db2.gz KXGYUFJROQALKR-UHFFFAOYSA-N 0 1 291.345 3.807 20 0 CHADMN FCCCN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000127195768 526282223 /nfs/dbraw/zinc/28/22/23/526282223.db2.gz OPKBEFGIPNCSOK-CQSZACIVSA-N 0 1 289.354 3.623 20 0 CHADMN Fc1ccc(C2=CCN(CCC(F)(F)F)CC2)cc1 ZINC000265801364 526326406 /nfs/dbraw/zinc/32/64/06/526326406.db2.gz BXBZGYNKJQAOGY-UHFFFAOYSA-N 0 1 273.273 3.867 20 0 CHADMN Oc1cccc2c1CCC[C@@H]2NCc1ccc(Cl)cn1 ZINC000276841605 526367068 /nfs/dbraw/zinc/36/70/68/526367068.db2.gz SDKHUSOJUANXTH-HNNXBMFYSA-N 0 1 288.778 3.608 20 0 CHADMN Cc1nnc([C@@H](C)NC[C@@H](C)c2cccc(Cl)c2)s1 ZINC000276270665 526395475 /nfs/dbraw/zinc/39/54/75/526395475.db2.gz QSPRMNHHGKCKQV-NXEZZACHSA-N 0 1 295.839 3.954 20 0 CHADMN c1c(CSc2nc(C3CC3)n[nH]2)noc1-c1ccccc1 ZINC000012992349 526401378 /nfs/dbraw/zinc/40/13/78/526401378.db2.gz YULJZHGKBPARGG-UHFFFAOYSA-N 0 1 298.371 3.629 20 0 CHADMN c1c(CSc2n[nH]c(C3CC3)n2)noc1-c1ccccc1 ZINC000012992349 526401380 /nfs/dbraw/zinc/40/13/80/526401380.db2.gz YULJZHGKBPARGG-UHFFFAOYSA-N 0 1 298.371 3.629 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@@H](c3ccc(C)cc3C)C2)o1 ZINC000280380771 526404206 /nfs/dbraw/zinc/40/42/06/526404206.db2.gz JVZJWZLIZGAKHF-DZGCQCFKSA-N 0 1 285.391 3.545 20 0 CHADMN c1c[nH]c([C@@H]2CCCN2Cc2cccc3ccccc32)n1 ZINC000364720590 526409842 /nfs/dbraw/zinc/40/98/42/526409842.db2.gz DONVWVDCFCACBC-KRWDZBQOSA-N 0 1 277.371 3.900 20 0 CHADMN C1CCC(c2noc([C@@H]3CCCN3C3CCCC3)n2)C1 ZINC000336524182 526422149 /nfs/dbraw/zinc/42/21/49/526422149.db2.gz ZHNSCVZLABPTMH-AWEZNQCLSA-N 0 1 275.396 3.807 20 0 CHADMN c1cc2c(s1)CCC[C@@H]2NCc1cn2ccccc2n1 ZINC000061362519 526444278 /nfs/dbraw/zinc/44/42/78/526444278.db2.gz HBYMZLWXSITTED-AWEZNQCLSA-N 0 1 283.400 3.563 20 0 CHADMN c1ccc(Cc2noc([C@H]3CCCN3C3CCCC3)n2)cc1 ZINC000275708142 526478076 /nfs/dbraw/zinc/47/80/76/526478076.db2.gz REMJZJWWPLOKEL-MRXNPFEDSA-N 0 1 297.402 3.740 20 0 CHADMN Cc1noc(C)c1CN(Cc1cccs1)C(C)C ZINC000299172514 526502080 /nfs/dbraw/zinc/50/20/80/526502080.db2.gz TXIFLXXGOKKNQO-UHFFFAOYSA-N 0 1 264.394 3.764 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1ccc(C)cc1C ZINC000037772234 526516469 /nfs/dbraw/zinc/51/64/69/526516469.db2.gz AEHCRUKUOUHGAL-GFCCVEGCSA-N 0 1 258.365 3.759 20 0 CHADMN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1cccc(F)c1 ZINC000130605103 526524301 /nfs/dbraw/zinc/52/43/01/526524301.db2.gz OKXCDTYEJQZNFB-OAHLLOKOSA-N 0 1 273.355 3.503 20 0 CHADMN Cc1nc(C(C)C)oc1C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000294730339 526538416 /nfs/dbraw/zinc/53/84/16/526538416.db2.gz XTEKHUPUHXZETP-UHFFFAOYSA-N 0 1 298.346 3.543 20 0 CHADMN CC(C)(C)OCCCCN1CCOC[C@H]1c1ccccc1 ZINC000354866647 526548605 /nfs/dbraw/zinc/54/86/05/526548605.db2.gz SNNAJZKMXBJPQJ-KRWDZBQOSA-N 0 1 291.435 3.655 20 0 CHADMN Cc1n[nH]cc1CN[C@@H](c1ccccc1F)C1CCCC1 ZINC000088765419 526553883 /nfs/dbraw/zinc/55/38/83/526553883.db2.gz WLNRVIKDLFLZCI-QGZVFWFLSA-N 0 1 287.382 3.878 20 0 CHADMN Cc1n[nH]cc1CN[C@H]1CCCc2sc(Cl)cc21 ZINC000128011735 526555733 /nfs/dbraw/zinc/55/57/33/526555733.db2.gz MJRNCEFZSPHRRA-NSHDSACASA-N 0 1 281.812 3.600 20 0 CHADMN Cc1[nH]ncc1CNc1ccc(OC2CCCC2)cc1 ZINC000037016115 526556872 /nfs/dbraw/zinc/55/68/72/526556872.db2.gz LKECQDOEQVJGFT-UHFFFAOYSA-N 0 1 271.364 3.652 20 0 CHADMN c1coc([C@H]2CCCCCN2Cc2ccccn2)c1 ZINC000077177061 526569589 /nfs/dbraw/zinc/56/95/89/526569589.db2.gz GMRTZVCUEOMWKN-OAHLLOKOSA-N 0 1 256.349 3.792 20 0 CHADMN Brc1ccc(CN2CCCC3(CC3)C2)cc1 ZINC000351916189 526638753 /nfs/dbraw/zinc/63/87/53/526638753.db2.gz XNRLJNVGPAWFJL-UHFFFAOYSA-N 0 1 280.209 3.825 20 0 CHADMN Brc1cscc1CN1CCC2(CCC2)C1 ZINC000347861704 526653868 /nfs/dbraw/zinc/65/38/68/526653868.db2.gz KJFCWLXICQGWRE-UHFFFAOYSA-N 0 1 286.238 3.887 20 0 CHADMN Cc1nc(C(C)(C)C)sc1[C@@H](C)NCc1cccnc1 ZINC000037232261 526661312 /nfs/dbraw/zinc/66/13/12/526661312.db2.gz RXUXSSGSPVHJDJ-LLVKDONJSA-N 0 1 289.448 3.995 20 0 CHADMN Cc1nc(C)c([C@@H](C)NCc2ccccc2F)s1 ZINC000040445908 526745430 /nfs/dbraw/zinc/74/54/30/526745430.db2.gz GHTZKNQFIPITOK-SECBINFHSA-N 0 1 264.369 3.750 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN(C)C1CCC1 ZINC000075841874 526746568 /nfs/dbraw/zinc/74/65/68/526746568.db2.gz WQESTVZWDALWAL-UHFFFAOYSA-N 0 1 262.378 3.696 20 0 CHADMN Cc1nc(CN2CC[C@](C)(c3ccccc3)C2)cs1 ZINC000340691128 526871453 /nfs/dbraw/zinc/87/14/53/526871453.db2.gz CBALXPSSYOWWIK-INIZCTEOSA-N 0 1 272.417 3.615 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccccc3F)C2)sc1C ZINC000339374607 526871907 /nfs/dbraw/zinc/87/19/07/526871907.db2.gz HCMAMPNUHNEAPC-ZDUSSCGKSA-N 0 1 290.407 3.889 20 0 CHADMN Cc1nc(CN[C@H](C)c2ccc(C)cc2)sc1C ZINC000094965718 526893098 /nfs/dbraw/zinc/89/30/98/526893098.db2.gz KLARTLBLQCGFEC-GFCCVEGCSA-N 0 1 260.406 3.919 20 0 CHADMN Cc1nc(F)ccc1CN1CCC[C@H]1c1cccs1 ZINC000278432452 526944892 /nfs/dbraw/zinc/94/48/92/526944892.db2.gz KCSHOXAMZGNMFG-ZDUSSCGKSA-N 0 1 276.380 3.928 20 0 CHADMN Clc1scc(CNCCOCC2CC2)c1Cl ZINC000309526036 527012488 /nfs/dbraw/zinc/01/24/88/527012488.db2.gz CHQGRQGLUOPGJF-UHFFFAOYSA-N 0 1 280.220 3.571 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)[C@@H]2CCC(C)(C)C2)[nH]1 ZINC000338629970 527150439 /nfs/dbraw/zinc/15/04/39/527150439.db2.gz SPEHYDWBXCBUOQ-GFCCVEGCSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@@H](C(C)C)CC2)[nH]1 ZINC000338536747 527152136 /nfs/dbraw/zinc/15/21/36/527152136.db2.gz QVBVVYKWYNJEIG-CQSZACIVSA-N 0 1 299.418 3.770 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3cc(F)ccc3C)c2[nH]1 ZINC000338509270 527155256 /nfs/dbraw/zinc/15/52/56/527155256.db2.gz KXVWBHDSJUJEPT-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@H](C)c3ccc(C)cc3)c2[nH]1 ZINC000338504365 527155631 /nfs/dbraw/zinc/15/56/31/527155631.db2.gz ACVUCRXKIVHQEA-GFCCVEGCSA-N 0 1 293.370 3.671 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@H]3CCC[C@@H](C)CC3)c2[nH]1 ZINC000338613275 527155861 /nfs/dbraw/zinc/15/58/61/527155861.db2.gz YFSHJIXLAOEHIU-YPMHNXCESA-N 0 1 285.391 3.570 20 0 CHADMN Cc1ncc(CN2CC[C@@H](C(F)(F)F)C2(C)C)s1 ZINC000276218217 527258634 /nfs/dbraw/zinc/25/86/34/527258634.db2.gz IQEJKLOXGMIDSB-SNVBAGLBSA-N 0 1 278.343 3.614 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)c2ccccc2Cl)c1 ZINC000336597482 527322863 /nfs/dbraw/zinc/32/28/63/527322863.db2.gz GLPWCFJCWGYAGF-UHFFFAOYSA-N 0 1 289.718 3.501 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cccc2cccnc21 ZINC000340318623 527347726 /nfs/dbraw/zinc/34/77/26/527347726.db2.gz FIKSSVSIGJNLRL-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN Cc1nccc(N2CCc3c(F)cc(F)cc3C2)c1Cl ZINC000354163348 527348506 /nfs/dbraw/zinc/34/85/06/527348506.db2.gz LYVNNRHSQRLQEN-UHFFFAOYSA-N 0 1 294.732 3.884 20 0 CHADMN Cn1ccc(CNC2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000265273572 527357244 /nfs/dbraw/zinc/35/72/44/527357244.db2.gz VBWBGJXPYIMMEF-UHFFFAOYSA-N 0 1 289.810 3.633 20 0 CHADMN Cn1ccc(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)n1 ZINC000264535572 527358892 /nfs/dbraw/zinc/35/88/92/527358892.db2.gz MPXSRFSSSJEIEN-MRXNPFEDSA-N 0 1 289.810 3.705 20 0 CHADMN Cn1ccnc1CN1CCC[C@@H]1c1cccc2ccccc21 ZINC000263770091 527432113 /nfs/dbraw/zinc/43/21/13/527432113.db2.gz INLIVOSWQRDLPB-GOSISDBHSA-N 0 1 291.398 3.910 20 0 CHADMN Cn1ccnc1[C@H](NCc1cccc2ccccc21)C1CC1 ZINC000127642213 527464904 /nfs/dbraw/zinc/46/49/04/527464904.db2.gz RBDOYQFJCQSQBV-GOSISDBHSA-N 0 1 291.398 3.814 20 0 CHADMN OCCC[C@@H]1CCCN1Cc1cscc1C(F)(F)F ZINC000356186576 527544740 /nfs/dbraw/zinc/54/47/40/527544740.db2.gz BAEDVILLANFBGD-NSHDSACASA-N 0 1 293.354 3.504 20 0 CHADMN OC[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000062999123 527608717 /nfs/dbraw/zinc/60/87/17/527608717.db2.gz FOZNBIXLWQIFME-HNNXBMFYSA-N 0 1 295.304 3.529 20 0 CHADMN OC[C@H](N[C@@H]1CCCc2sccc21)c1ccc(F)cc1 ZINC000271485400 527610355 /nfs/dbraw/zinc/61/03/55/527610355.db2.gz OEXXLLHOOUJJLA-CABCVRRESA-N 0 1 291.391 3.588 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1ccccc1Cl ZINC000087406893 527699669 /nfs/dbraw/zinc/69/96/69/527699669.db2.gz PQAHBJGUOXISJT-QWRGUYRKSA-N 0 1 277.799 3.794 20 0 CHADMN CC(C)Oc1ccc(CN[C@@H]2CCCc3occc32)cn1 ZINC000192682472 528162690 /nfs/dbraw/zinc/16/26/90/528162690.db2.gz YIBRMNOWSGGLAE-OAHLLOKOSA-N 0 1 286.375 3.629 20 0 CHADMN CC1CCC(CN2CCO[C@@H](c3cccc(O)c3)C2)CC1 ZINC000353676208 528177918 /nfs/dbraw/zinc/17/79/18/528177918.db2.gz VYQXKKWJSZIXIC-JTTJXQCZSA-N 0 1 289.419 3.592 20 0 CHADMN CC(C)c1cnc(CN[C@H]2CCCC(F)(F)C2)s1 ZINC000344344322 528216004 /nfs/dbraw/zinc/21/60/04/528216004.db2.gz DDEWYHWCJPUMEX-JTQLQIEISA-N 0 1 274.380 3.934 20 0 CHADMN CCCCN(Cc1n[nH]c(CC)n1)[C@@H](C)c1ccccc1 ZINC000354796340 528446974 /nfs/dbraw/zinc/44/69/74/528446974.db2.gz VLDHIAUEIZRCNB-AWEZNQCLSA-N 0 1 286.423 3.730 20 0 CHADMN CC(C)n1cc(CN2CCC[C@H]2CCC2CCCC2)nn1 ZINC000347908644 528562427 /nfs/dbraw/zinc/56/24/27/528562427.db2.gz GQWUNVUKFCIBLI-KRWDZBQOSA-N 0 1 290.455 3.794 20 0 CHADMN CC(C)[C@@H](NCc1ccc(Cl)cn1)c1cccnc1 ZINC000344284921 528590762 /nfs/dbraw/zinc/59/07/62/528590762.db2.gz DBZOOVSTUKRGFE-OAHLLOKOSA-N 0 1 275.783 3.617 20 0 CHADMN CCC(CC)(CC)CNCc1ncn(-c2ccccc2)n1 ZINC000354607502 528629956 /nfs/dbraw/zinc/62/99/56/528629956.db2.gz ALKIWZRBOUGZOL-UHFFFAOYSA-N 0 1 286.423 3.573 20 0 CHADMN CC(C)Cc1ccc(CN[C@H](CO)c2ccsc2)cc1 ZINC000349657463 528650786 /nfs/dbraw/zinc/65/07/86/528650786.db2.gz VTKUZVORFOZSET-QGZVFWFLSA-N 0 1 289.444 3.770 20 0 CHADMN CCOc1cccc(CN[C@@H](C)c2ccc(Cl)cn2)c1 ZINC000480272518 528655611 /nfs/dbraw/zinc/65/56/11/528655611.db2.gz CZSADBLBGIJVEN-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN CCCN1C(=O)N=NC1SCc1cccc(C(F)F)c1 ZINC000356033260 528822474 /nfs/dbraw/zinc/82/24/74/528822474.db2.gz BHYXMQTUDOMXOZ-UHFFFAOYSA-N 0 1 299.346 3.624 20 0 CHADMN CCN(Cc1ccccc1Cl)C[C@@H]1CC[C@H](C)O1 ZINC000354899744 528839064 /nfs/dbraw/zinc/83/90/64/528839064.db2.gz VUHYKVHERQAEKX-JSGCOSHPSA-N 0 1 267.800 3.729 20 0 CHADMN CCN(Cc1csc(-c2ccccn2)n1)C1CCC1 ZINC000353819109 528880723 /nfs/dbraw/zinc/88/07/23/528880723.db2.gz PSSHBFDRYZEJQU-UHFFFAOYSA-N 0 1 273.405 3.580 20 0 CHADMN CC1(C)CC=C(c2nc(C3(N)CCCCC3)no2)CC1 ZINC000333565920 528893309 /nfs/dbraw/zinc/89/33/09/528893309.db2.gz LROSMCCYGADIQG-UHFFFAOYSA-N 0 1 275.396 3.781 20 0 CHADMN CCCC[C@H](C)NCc1csc([C@@H](C)OC)n1 ZINC000344741456 528894994 /nfs/dbraw/zinc/89/49/94/528894994.db2.gz RQGJESWXYSVKQC-WDEREUQCSA-N 0 1 256.415 3.519 20 0 CHADMN CC1(C)CCCN(Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000353456786 528938098 /nfs/dbraw/zinc/93/80/98/528938098.db2.gz DOHSGKFULVQBAH-UHFFFAOYSA-N 0 1 287.382 3.633 20 0 CHADMN CCOC[C@@H]1CCN(Cc2cscc2C(F)(F)F)C1 ZINC000356126335 528938956 /nfs/dbraw/zinc/93/89/56/528938956.db2.gz UERUOGGJKFWJOL-SNVBAGLBSA-N 0 1 293.354 3.625 20 0 CHADMN CC1(C)CCC[C@H](C(=O)Nc2cccc(-c3nnc[nH]3)c2)C1 ZINC000332374446 528980288 /nfs/dbraw/zinc/98/02/88/528980288.db2.gz FWFWGXUWUUAFHK-ZDUSSCGKSA-N 0 1 298.390 3.627 20 0 CHADMN CC1(C)CN(Cc2cnc3ccccc3c2)[C@@H]2CCC[C@@H]2O1 ZINC000347186542 529124747 /nfs/dbraw/zinc/12/47/47/529124747.db2.gz OEXIPIMUGUHVOZ-MSOLQXFVSA-N 0 1 296.414 3.767 20 0 CHADMN CC[C@@H](NCc1cc(Cl)ccc1OC)c1ccncc1 ZINC000344525750 529181936 /nfs/dbraw/zinc/18/19/36/529181936.db2.gz CWTGVGVVGJFRKT-OAHLLOKOSA-N 0 1 290.794 3.985 20 0 CHADMN CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCC(=O)[O-] ZINC000116387995 529183798 /nfs/dbraw/zinc/18/37/98/529183798.db2.gz IOPBLMYLGAKICJ-HZPDHXFCSA-N 0 1 275.392 3.509 20 0 CHADMN CC[C@@H](NCc1ccc2c(c1)OCO2)c1ccccc1OC ZINC000192758143 529184643 /nfs/dbraw/zinc/18/46/43/529184643.db2.gz IXWJOQHSYOZGPD-OAHLLOKOSA-N 0 1 299.370 3.665 20 0 CHADMN CCS[C@@H]1CCCCN([C@@H](C)c2nnc(C)s2)C1 ZINC000347295909 529206897 /nfs/dbraw/zinc/20/68/97/529206897.db2.gz JDOYAJYKOQWMCG-CMPLNLGQSA-N 0 1 285.482 3.515 20 0 CHADMN CC[C@H](C)c1noc(CCc2nc3cccc(C)c3[nH]2)n1 ZINC000355888089 529283150 /nfs/dbraw/zinc/28/31/50/529283150.db2.gz KFXHWYCQNJWCGB-JTQLQIEISA-N 0 1 284.363 3.553 20 0 CHADMN CC[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000353706400 529298654 /nfs/dbraw/zinc/29/86/54/529298654.db2.gz GYXPOYNGRZCXOH-CYBMUJFWSA-N 0 1 257.381 3.575 20 0 CHADMN CC[C@H](CN(C)Cc1nccs1)c1ccccc1 ZINC000353773475 529333595 /nfs/dbraw/zinc/33/35/95/529333595.db2.gz DDLRGTSDZNMOJV-CYBMUJFWSA-N 0 1 260.406 3.769 20 0 CHADMN COc1ccc(CNCc2ccccc2OC(C)C)cc1 ZINC000032132511 567886139 /nfs/dbraw/zinc/88/61/39/567886139.db2.gz DVXWQSVZEKIQGO-UHFFFAOYSA-N 0 1 285.387 3.772 20 0 CHADMN CCC[C@@H](C)N1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000249274910 570360723 /nfs/dbraw/zinc/36/07/23/570360723.db2.gz KMVGQHDUPRMTMK-YPMHNXCESA-N 0 1 296.436 3.645 20 0 CHADMN O=C([O-])c1occc1C[N@@H+](CC1CC1)C1CCCCC1 ZINC000652408587 599772680 /nfs/dbraw/zinc/77/26/80/599772680.db2.gz BTTWUBDRFXJUSY-UHFFFAOYSA-N 0 1 277.364 3.523 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@@H+]([C@@H]1CCCc3ccccc31)C2 ZINC000740203798 600084441 /nfs/dbraw/zinc/08/44/41/600084441.db2.gz XIOUHPCAYHJIKK-GOSISDBHSA-N 0 1 293.366 3.778 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736929056 600086645 /nfs/dbraw/zinc/08/66/45/600086645.db2.gz NOSQMWPXMHRXAA-KRWDZBQOSA-N 0 1 281.355 3.852 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)c2ccc(C(=O)[O-])o2)o1 ZINC000565104038 600217838 /nfs/dbraw/zinc/21/78/38/600217838.db2.gz MFEJOIBFNVBHGD-RYUDHWBXSA-N 0 1 289.331 3.777 20 0 CHADMN C[C@H]([NH2+][C@H](C(=O)[O-])c1cccc(Cl)c1)c1cccs1 ZINC000143444412 600416775 /nfs/dbraw/zinc/41/67/75/600416775.db2.gz BTESZYKAJLLRDN-ZANVPECISA-N 0 1 295.791 3.878 20 0 CHADMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(C(=O)[O-])c(C)o1 ZINC000736949965 600448551 /nfs/dbraw/zinc/44/85/51/600448551.db2.gz LXBCYLLYTITQQQ-QGZVFWFLSA-N 0 1 299.370 3.796 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000566359196 600449037 /nfs/dbraw/zinc/44/90/37/600449037.db2.gz RBOOULWNTJMKPO-DYVFJYSZSA-N 0 1 289.375 3.861 20 0 CHADMN Cc1cc(C[N@@H+]2CCC[C@@H](C(C)C)CC2)oc1C(=O)[O-] ZINC000079349461 600509132 /nfs/dbraw/zinc/50/91/32/600509132.db2.gz DNSFXEOEVUVTFW-CYBMUJFWSA-N 0 1 279.380 3.544 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)s1)Cc1ccccc1C(=O)[O-] ZINC000048985005 600555802 /nfs/dbraw/zinc/55/58/02/600555802.db2.gz CKRVOHKHLQXYOB-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000577857156 600629603 /nfs/dbraw/zinc/62/96/03/600629603.db2.gz RQYWQZWRLFHGRZ-UMVBOHGHSA-N 0 1 299.370 3.917 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000519637607 600629886 /nfs/dbraw/zinc/62/98/86/600629886.db2.gz DFGPFPFOPBTXND-MLGOLLRUSA-N 0 1 299.370 3.664 20 0 CHADMN O=C([O-])c1ccc2c(c1)CN(c1cc[nH+]c3ccsc31)C2 ZINC000833327054 600814963 /nfs/dbraw/zinc/81/49/63/600814963.db2.gz YTXTZOPHWBANMU-UHFFFAOYSA-N 0 1 296.351 3.515 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])[C@@H](c2ccco2)C1 ZINC000569111473 600861940 /nfs/dbraw/zinc/86/19/40/600861940.db2.gz UCUGCMMIPGMREH-WCQYABFASA-N 0 1 289.331 3.544 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])o2)[C@H](c2ccco2)C1 ZINC000579842957 600862140 /nfs/dbraw/zinc/86/21/40/600862140.db2.gz SPVSNPPXXCGIQA-AAEUAGOBSA-N 0 1 289.331 3.544 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])oc1C ZINC000573975299 601024558 /nfs/dbraw/zinc/02/45/58/601024558.db2.gz MNVAZWYUONIBDG-BXUZGUMPSA-N 0 1 279.380 3.687 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000827928811 601182408 /nfs/dbraw/zinc/18/24/08/601182408.db2.gz QVHYGLSBPUEFCO-GXFFZTMASA-N 0 1 289.306 3.625 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000827928811 601182409 /nfs/dbraw/zinc/18/24/09/601182409.db2.gz QVHYGLSBPUEFCO-GXFFZTMASA-N 0 1 289.306 3.625 20 0 CHADMN C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)CCCC(=O)[O-] ZINC000175430890 601308143 /nfs/dbraw/zinc/30/81/43/601308143.db2.gz XZXHLNAIWAEODT-VXGBXAGGSA-N 0 1 283.799 3.629 20 0 CHADMN Cc1cc(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)oc1C(=O)[O-] ZINC000568067096 601329655 /nfs/dbraw/zinc/32/96/55/601329655.db2.gz LWFUEIGQEYSBNN-BBRMVZONSA-N 0 1 299.370 3.664 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000568068220 601542253 /nfs/dbraw/zinc/54/22/53/601542253.db2.gz GSEGETNMBLVTDW-SCLBCKFNSA-N 0 1 299.370 3.702 20 0 CHADMN C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000235251419 601617392 /nfs/dbraw/zinc/61/73/92/601617392.db2.gz AJXYYVJDRMFIMX-ABAIWWIYSA-N 0 1 279.355 3.534 20 0 CHADMN C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000828527774 601632715 /nfs/dbraw/zinc/63/27/15/601632715.db2.gz OVEZMYVJVKWQCU-LBPRGKRZSA-N 0 1 299.345 3.643 20 0 CHADMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000828527773 601632808 /nfs/dbraw/zinc/63/28/08/601632808.db2.gz OVEZMYVJVKWQCU-GFCCVEGCSA-N 0 1 299.345 3.643 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CCCCC[C@H]1C ZINC000155986595 601638867 /nfs/dbraw/zinc/63/88/67/601638867.db2.gz FRLUQQLVPAVUEC-SNVBAGLBSA-N 0 1 267.394 3.519 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)[C@@H]1c1ccccc1 ZINC000828455489 601647629 /nfs/dbraw/zinc/64/76/29/601647629.db2.gz DCTWZYADOHDEBM-SJCJKPOMSA-N 0 1 299.345 3.717 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC000394929787 601804413 /nfs/dbraw/zinc/80/44/13/601804413.db2.gz UNNFHQGLWHFJQI-NSHDSACASA-N 0 1 275.373 3.639 20 0 CHADMN O=C([O-])c1sccc1C[N@@H+](C1CC1)C1CCCCC1 ZINC000652400998 601807669 /nfs/dbraw/zinc/80/76/69/601807669.db2.gz DSQWIIGNURLVLY-UHFFFAOYSA-N 0 1 279.405 3.743 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000125288603 601828443 /nfs/dbraw/zinc/82/84/43/601828443.db2.gz MICOJSYMPANLAR-GFCCVEGCSA-N 0 1 267.394 3.601 20 0 CHADMN CCc1oc(C(=O)[O-])cc1CNc1cccc2cc[nH+]cc21 ZINC000830379331 601835819 /nfs/dbraw/zinc/83/58/19/601835819.db2.gz RTUZHXDRHKKAFQ-UHFFFAOYSA-N 0 1 296.326 3.701 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])s2)cc1 ZINC000830249169 601937165 /nfs/dbraw/zinc/93/71/65/601937165.db2.gz BDCFXXATMXKGBZ-UHFFFAOYSA-N 0 1 289.400 3.641 20 0 CHADMN Cc1ccc(C)c([C@H]2CCC[N@H+]2Cc2ccoc2C(=O)[O-])c1 ZINC000568065737 602330391 /nfs/dbraw/zinc/33/03/91/602330391.db2.gz DJMYSKNMZHJPPD-MRXNPFEDSA-N 0 1 299.370 3.932 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833547979 604533267 /nfs/dbraw/zinc/53/32/67/604533267.db2.gz JOOACEZTHPOTAS-JTQLQIEISA-N 0 1 292.766 3.559 20 0 CHADMN C/C(=C\C[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C)C(=O)[O-] ZINC000833384447 604620292 /nfs/dbraw/zinc/62/02/92/604620292.db2.gz QVHIBXHGIDUZHX-PMDBQALLSA-N 0 1 296.436 3.599 20 0 CHADMN CCCCC[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000829346514 604677362 /nfs/dbraw/zinc/67/73/62/604677362.db2.gz AESKVIOQTQFNCP-LBPRGKRZSA-N 0 1 265.353 3.523 20 0 CHADMN C[C@@H](c1cccs1)[N@@H+](C)Cc1ccccc1CC(=O)[O-] ZINC000167713855 605063801 /nfs/dbraw/zinc/06/38/01/605063801.db2.gz WMIDJVVUUHDNAI-LBPRGKRZSA-N 0 1 289.400 3.568 20 0 CHADMN CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833471968 605106055 /nfs/dbraw/zinc/10/60/55/605106055.db2.gz QJZUFEIZGPIXLD-INIZCTEOSA-N 0 1 286.375 3.542 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC2CCCCCC2)C1 ZINC000089575385 949112298 /nfs/dbraw/zinc/11/22/98/949112298.db2.gz SKTIQXJLUXFOMY-INIZCTEOSA-N 0 1 267.413 3.534 20 0 CHADMN C[C@@H](Cc1cccs1)[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC000093268800 949169143 /nfs/dbraw/zinc/16/91/43/949169143.db2.gz DVRFZZAKXOKTMS-JTQLQIEISA-N 0 1 295.429 3.571 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000378736741 971575956 /nfs/dbraw/zinc/57/59/56/971575956.db2.gz NHZIVNMSVDBCLP-QWHCGFSZSA-N 0 1 293.432 3.765 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C)cc2Cl)C1 ZINC000234103350 949815801 /nfs/dbraw/zinc/81/58/01/949815801.db2.gz PQCZPNJSXKXIOW-INIZCTEOSA-N 0 1 295.810 3.725 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000251222162 950013563 /nfs/dbraw/zinc/01/35/63/950013563.db2.gz JGJKGCXMTLIFIW-WMZOPIPTSA-N 0 1 287.403 3.641 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000322954995 951039389 /nfs/dbraw/zinc/03/93/89/951039389.db2.gz SMQROJFJHJYYHK-ASRSSLEJSA-N 0 1 287.403 3.667 20 0 CHADMN Cc1cc(Cl)ccc1C[N@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000380758302 971715712 /nfs/dbraw/zinc/71/57/12/971715712.db2.gz XAQHZQVHNFXXKH-UHFFFAOYSA-N 0 1 295.810 3.868 20 0 CHADMN CCOc1cccc([C@H](C)NCc2cccc(C)n2)c1 ZINC000127256246 1125459997 /nfs/dbraw/zinc/45/99/97/1125459997.db2.gz HDUUKFQWLUSERZ-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN CCC(CC)[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CC1 ZINC000569690609 953650187 /nfs/dbraw/zinc/65/01/87/953650187.db2.gz RKWQRSVBVAJFIS-UHFFFAOYSA-N 0 1 261.365 3.538 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C[C@H]1C(=O)[O-] ZINC000662213200 954382647 /nfs/dbraw/zinc/38/26/47/954382647.db2.gz UDETVVDVYRNQAJ-CZUORRHYSA-N 0 1 289.419 3.527 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C[C@@H]1C(=O)[O-] ZINC000662213198 954384713 /nfs/dbraw/zinc/38/47/13/954384713.db2.gz UDETVVDVYRNQAJ-BBRMVZONSA-N 0 1 289.419 3.527 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662216008 954386910 /nfs/dbraw/zinc/38/69/10/954386910.db2.gz ZCTZXFHMDMRPTM-MUIFIZLQSA-N 0 1 287.403 3.508 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)c(C)c1Cl ZINC001589444396 954743350 /nfs/dbraw/zinc/74/33/50/954743350.db2.gz XHEYGYOSRSHSOH-NSHDSACASA-N 0 1 290.190 3.597 20 0 CHADMN CCc1ccc2ccccc2c1C[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000903404521 956831845 /nfs/dbraw/zinc/83/18/45/956831845.db2.gz IIYCREVLMNIQTJ-ZDUSSCGKSA-N 0 1 285.387 3.555 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000903408095 956834173 /nfs/dbraw/zinc/83/41/73/956834173.db2.gz OIRXYKQGVSPODI-PBHICJAKSA-N 0 1 289.419 3.570 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000923247797 957106146 /nfs/dbraw/zinc/10/61/46/957106146.db2.gz HTLLATBQKTZXSA-CQSZACIVSA-N 0 1 279.424 3.534 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)cc1)Cc1cccc(C(=O)[O-])c1 ZINC000048880427 957467818 /nfs/dbraw/zinc/46/78/18/957467818.db2.gz TXZWNKMFEBITBQ-UHFFFAOYSA-N 0 1 289.762 3.670 20 0 CHADMN O=C([O-])c1ccc(F)c(C[N@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000062754281 957608757 /nfs/dbraw/zinc/60/87/57/957608757.db2.gz QHBPONWTGUSMNC-INIZCTEOSA-N 0 1 291.366 3.679 20 0 CHADMN C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000062754027 957608897 /nfs/dbraw/zinc/60/88/97/957608897.db2.gz JKSFCWCTYMLUKM-RISCZKNCSA-N 0 1 279.355 3.534 20 0 CHADMN C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(C(=O)[O-])ccc1F ZINC000062755142 957609924 /nfs/dbraw/zinc/60/99/24/957609924.db2.gz XSQNXDCAUSINCQ-NHYWBVRUSA-N 0 1 279.355 3.534 20 0 CHADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000071264813 957714682 /nfs/dbraw/zinc/71/46/82/957714682.db2.gz MEEHJKILIASKTG-QWHCGFSZSA-N 0 1 291.366 3.536 20 0 CHADMN Cc1cc(C)c(/C=C/C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c(C)c1 ZINC001594292480 957835678 /nfs/dbraw/zinc/83/56/78/957835678.db2.gz MBFQMOYXHUWLBQ-AMFYOEQGSA-N 0 1 287.403 3.563 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000088256160 958051441 /nfs/dbraw/zinc/05/14/41/958051441.db2.gz BFTCKUYKLNOUCW-NSHDSACASA-N 0 1 281.783 3.588 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c(C)s1 ZINC000135046358 958881976 /nfs/dbraw/zinc/88/19/76/958881976.db2.gz FRACWDNNLDRJJF-AWEZNQCLSA-N 0 1 295.448 3.688 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000155966596 959044118 /nfs/dbraw/zinc/04/41/18/959044118.db2.gz VEPTZCWNMMWMIY-GWCFXTLKSA-N 0 1 281.421 3.765 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000181544967 959438038 /nfs/dbraw/zinc/43/80/38/959438038.db2.gz UNRIFCUBARFKMN-AWEZNQCLSA-N 0 1 281.783 3.732 20 0 CHADMN Fc1ccc(CN2C[C@@H]3CCCC[C@@H]3C2)c(F)c1F ZINC001137935881 1131438984 /nfs/dbraw/zinc/43/89/84/1131438984.db2.gz OLFGJLLGWZBASQ-PHIMTYICSA-N 0 1 269.310 3.726 20 0 CHADMN C[C@H]1C[C@H]([N@@H+](CC(=O)[O-])C2CCC2)c2ccsc2S1 ZINC001594245681 959564729 /nfs/dbraw/zinc/56/47/29/959564729.db2.gz ZMKICWWQLDREOC-CABZTGNLSA-N 0 1 297.445 3.613 20 0 CHADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H]1CCC[C@H](C)C1 ZINC001573716131 959871336 /nfs/dbraw/zinc/87/13/36/959871336.db2.gz OKKJIXNKQZRSOP-LJISPDSOSA-N 0 1 267.413 3.530 20 0 CHADMN CCCC[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)[O-] ZINC000232422376 960265582 /nfs/dbraw/zinc/26/55/82/960265582.db2.gz INQKLLVDHVAVLV-INIZCTEOSA-N 0 1 290.407 3.732 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001573750106 960550621 /nfs/dbraw/zinc/55/06/21/960550621.db2.gz ZLORGNPMFINEGN-GMTAPVOTSA-N 0 1 299.773 3.583 20 0 CHADMN C[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)CC1(C)C ZINC001326509649 961102394 /nfs/dbraw/zinc/10/23/94/961102394.db2.gz HDTRHLUKZKATRI-RISCZKNCSA-N 0 1 295.810 3.834 20 0 CHADMN CC(C)C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001326546866 961108748 /nfs/dbraw/zinc/10/87/48/961108748.db2.gz HOURWFOKJCRCFZ-SWLSCSKDSA-N 0 1 295.810 3.834 20 0 CHADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000250754021 961225866 /nfs/dbraw/zinc/22/58/66/961225866.db2.gz MEEHJKILIASKTG-STQMWFEESA-N 0 1 291.366 3.536 20 0 CHADMN CC[C@@]1(C)CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001329675243 961296731 /nfs/dbraw/zinc/29/67/31/961296731.db2.gz FPQDEGJKFRKIPM-HOCLYGCPSA-N 0 1 295.810 3.978 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001588797166 961400220 /nfs/dbraw/zinc/40/02/20/961400220.db2.gz BISSTCNHTWPCEA-RRFJBIMHSA-N 0 1 267.413 3.697 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+](CC(=O)[O-])CC1CC1 ZINC001588797206 961402009 /nfs/dbraw/zinc/40/20/09/961402009.db2.gz DLIFYAAEZNZZKK-AWEZNQCLSA-N 0 1 267.413 3.556 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CCC3(C2)CCCCC3)n1 ZINC000129880471 1125478119 /nfs/dbraw/zinc/47/81/19/1125478119.db2.gz QOHIAQHIORGIRH-CYBMUJFWSA-N 0 1 277.412 3.910 20 0 CHADMN Cc1oc(C[N@H+](C)C[C@H]2CCCC[C@H]2C)cc1C(=O)[O-] ZINC001334011504 961741833 /nfs/dbraw/zinc/74/18/33/961741833.db2.gz YFZXMPLYYQTGRO-DGCLKSJQSA-N 0 1 279.380 3.544 20 0 CHADMN CCc1ccc(CNCc2ccc(SC)cc2)o1 ZINC000177747011 1117880816 /nfs/dbraw/zinc/88/08/16/1117880816.db2.gz FWZBWVHVONCRTP-UHFFFAOYSA-N 0 1 261.390 3.854 20 0 CHADMN CC(C)[C@H]1[N@@H+](Cc2ccc(C(=O)[O-])s2)CC12CC=CC2 ZINC001588842585 961823408 /nfs/dbraw/zinc/82/34/08/961823408.db2.gz IIGHRYHLBFKLJV-CQSZACIVSA-N 0 1 291.416 3.623 20 0 CHADMN CC(C)n1cc(-c2nc3ccc(Cl)cc3[nH]2)cn1 ZINC000178960486 1117898159 /nfs/dbraw/zinc/89/81/59/1117898159.db2.gz QMWKCBDXDOKDFI-UHFFFAOYSA-N 0 1 260.728 3.661 20 0 CHADMN Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000314600252 963775440 /nfs/dbraw/zinc/77/54/40/963775440.db2.gz CRARYQNRDJCSKR-QWRGUYRKSA-N 0 1 290.388 3.562 20 0 CHADMN Cc1ccc(NC(=O)CN(C)CCC(C)C)cc1Cl ZINC001167101009 1118004979 /nfs/dbraw/zinc/00/49/79/1118004979.db2.gz SUZLHKVZEHOMTD-UHFFFAOYSA-N 0 1 282.815 3.565 20 0 CHADMN CCc1nnc(CNCCC2CCCCCC2)s1 ZINC000356527958 1118007696 /nfs/dbraw/zinc/00/76/96/1118007696.db2.gz OGQYGTNYRRNPCV-UHFFFAOYSA-N 0 1 267.442 3.551 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C2CCCC2)cc1 ZINC000650806180 968608169 /nfs/dbraw/zinc/60/81/69/968608169.db2.gz SNGXBTFTLMGEFV-MRXNPFEDSA-N 0 1 275.392 3.639 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903695798 969589061 /nfs/dbraw/zinc/58/90/61/969589061.db2.gz JIVDLDBIFFCDPI-CQSZACIVSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@H](C[N@H+]1CCc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC000317329508 970348715 /nfs/dbraw/zinc/34/87/15/970348715.db2.gz DRDLRUQXDNEEHQ-AWEZNQCLSA-N 0 1 295.382 3.547 20 0 CHADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394531943 972717681 /nfs/dbraw/zinc/71/76/81/972717681.db2.gz KWDKIWLRRRZBPC-MRXNPFEDSA-N 0 1 267.413 3.534 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000394816201 972761280 /nfs/dbraw/zinc/76/12/80/972761280.db2.gz ASGJGHMCWCDPNA-ZIAGYGMSSA-N 0 1 287.403 3.569 20 0 CHADMN C[N@@H+](C[C@@H]1CC2CCC1CC2)[C@H](C(=O)[O-])c1ccccc1 ZINC000399972885 973245381 /nfs/dbraw/zinc/24/53/81/973245381.db2.gz FSLFJINSWBDSGB-LCSXWQTCSA-N 0 1 287.403 3.570 20 0 CHADMN C[N@@H+](C[C@H]1CC2CCC1CC2)[C@H](C(=O)[O-])c1ccccc1 ZINC000399972886 973245502 /nfs/dbraw/zinc/24/55/02/973245502.db2.gz FSLFJINSWBDSGB-MMADZMRASA-N 0 1 287.403 3.570 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC001603619767 973917702 /nfs/dbraw/zinc/91/77/02/973917702.db2.gz JWCRMVJVMPJNEU-KGLIPLIRSA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccsc1 ZINC000417566295 973962725 /nfs/dbraw/zinc/96/27/25/973962725.db2.gz RAWXFKGJKQEBLV-HNNXBMFYSA-N 0 1 287.384 3.541 20 0 CHADMN CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccoc1C(=O)[O-] ZINC000515855629 974302842 /nfs/dbraw/zinc/30/28/42/974302842.db2.gz HNZWNTDDAIOEMU-GFCCVEGCSA-N 0 1 291.372 3.549 20 0 CHADMN CCCC[N@@H+](Cc1cc(C(=O)[O-])ccc1Cl)C1CC1 ZINC000565102355 974568789 /nfs/dbraw/zinc/56/87/89/974568789.db2.gz HEPPDLGSTCRKGQ-UHFFFAOYSA-N 0 1 281.783 3.803 20 0 CHADMN CCC(C)(C)c1ccc(C[N@H+]2CCC[C@H]2CC(=O)[O-])cc1 ZINC000565102267 974569162 /nfs/dbraw/zinc/56/91/62/974569162.db2.gz FPZCSEVIEZYTRR-INIZCTEOSA-N 0 1 289.419 3.813 20 0 CHADMN Cc1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2F)s1 ZINC000565487466 974582751 /nfs/dbraw/zinc/58/27/51/974582751.db2.gz TYIMPDSROIPPPB-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2F)s1 ZINC000565487466 974582758 /nfs/dbraw/zinc/58/27/58/974582758.db2.gz TYIMPDSROIPPPB-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN O=C([O-])c1ccc(Cl)c(C[N@@H+](C2CC2)C2CCCC2)c1 ZINC000566074155 974593315 /nfs/dbraw/zinc/59/33/15/974593315.db2.gz MRCBHPMINWIUBB-UHFFFAOYSA-N 0 1 293.794 3.945 20 0 CHADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000566361014 974608628 /nfs/dbraw/zinc/60/86/28/974608628.db2.gz DLWHHTJBHNGBLX-ROUUACIJSA-N 0 1 295.382 3.620 20 0 CHADMN CC/C=C\CC[N@@H+](CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC000566748549 974620991 /nfs/dbraw/zinc/62/09/91/974620991.db2.gz MTRKVTQREXPPKF-OGZRUICASA-N 0 1 275.392 3.881 20 0 CHADMN O=C([O-])[C@@H](c1ccsc1)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000568061545 974657103 /nfs/dbraw/zinc/65/71/03/974657103.db2.gz JLFLTYCJYLAGJG-ZBFHGGJFSA-N 0 1 291.416 3.696 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1cccc(C(F)F)c1 ZINC000568522409 974672846 /nfs/dbraw/zinc/67/28/46/974672846.db2.gz WFEXADZQPABEIC-UHFFFAOYSA-N 0 1 285.334 3.557 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+]1CCC[C@@H](CC)CC1 ZINC000570051140 974703786 /nfs/dbraw/zinc/70/37/86/974703786.db2.gz KWCBMRLXHMEFFH-GFCCVEGCSA-N 0 1 279.380 3.552 20 0 CHADMN CCC[N@@H+](CC)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000571931472 974738861 /nfs/dbraw/zinc/73/88/61/974738861.db2.gz UVQMDYDGKKFSMU-GFCCVEGCSA-N 0 1 290.190 3.851 20 0 CHADMN CC[C@@]1(C)CC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000572729121 974752364 /nfs/dbraw/zinc/75/23/64/974752364.db2.gz PPEDJLYRXISDJC-HIFRSBDPSA-N 0 1 281.783 3.588 20 0 CHADMN CC[C@]1(C)CC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000572729122 974753439 /nfs/dbraw/zinc/75/34/39/974753439.db2.gz PPEDJLYRXISDJC-UKRRQHHQSA-N 0 1 281.783 3.588 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000573498730 974766199 /nfs/dbraw/zinc/76/61/99/974766199.db2.gz BDURYUKWQXGWQN-USXIJHARSA-N 0 1 289.419 3.755 20 0 CHADMN O=C([O-])CC1(C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)CC1 ZINC000578515119 974855605 /nfs/dbraw/zinc/85/56/05/974855605.db2.gz KRZIAQSFFJBCAD-QGZVFWFLSA-N 0 1 299.414 3.783 20 0 CHADMN C[C@@H](c1cccs1)[N@@H+](C)Cc1csc(C(=O)[O-])c1 ZINC000579843148 974883329 /nfs/dbraw/zinc/88/33/29/974883329.db2.gz WDNQNAHHTKOETP-VIFPVBQESA-N 0 1 281.402 3.701 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000582425819 974925753 /nfs/dbraw/zinc/92/57/53/974925753.db2.gz PFDNPNCYYSOSHH-ZMSDIMECSA-N 0 1 289.419 3.816 20 0 CHADMN CC[C@]1(C)CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000583267903 974938693 /nfs/dbraw/zinc/93/86/93/974938693.db2.gz JANIRPTWTJWMPQ-GDBMZVCRSA-N 0 1 295.810 3.978 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])[C@H]1C=CCCC1 ZINC000583824128 974946592 /nfs/dbraw/zinc/94/65/92/974946592.db2.gz UCOWBFKEWWDYBH-HOTGVXAUSA-N 0 1 273.376 3.633 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](CCC)Cc1ccc(OC)cc1 ZINC000629371484 975087620 /nfs/dbraw/zinc/08/76/20/975087620.db2.gz GIBFXAZWOIDBNC-MRXNPFEDSA-N 0 1 293.407 3.551 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000634697724 975275455 /nfs/dbraw/zinc/27/54/55/975275455.db2.gz QAVRVHHAPXYHIR-OCCSQVGLSA-N 0 1 291.391 3.941 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2CC2(CC(=O)[O-])CC2)cc1C ZINC000652398879 975523328 /nfs/dbraw/zinc/52/33/28/975523328.db2.gz DLPXQQMMIFLWHO-MRXNPFEDSA-N 0 1 287.403 3.695 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@H]2C2CCC2)s1 ZINC000652415520 975526332 /nfs/dbraw/zinc/52/63/32/975526332.db2.gz YHIDYHRZLHDSTP-ZDUSSCGKSA-N 0 1 279.405 3.601 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000652451505 975538792 /nfs/dbraw/zinc/53/87/92/975538792.db2.gz YYZSYHWOZLUVEF-SOUVJXGZSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)C[N@H+](CCC(=O)[O-])CC[C@@H]1CCc2ccccc21 ZINC000659788448 975873097 /nfs/dbraw/zinc/87/30/97/975873097.db2.gz OGFGNPIJVBHRHR-INIZCTEOSA-N 0 1 289.419 3.539 20 0 CHADMN CC(C)c1[nH]c(C[N@@H+](C)[C@@H]2CCCC[C@H]2C)cc1C(=O)[O-] ZINC001591910492 976320442 /nfs/dbraw/zinc/32/04/42/976320442.db2.gz GIHMEWIGFOKDNG-IUODEOHRSA-N 0 1 292.423 3.847 20 0 CHADMN CC(C)c1[nH]c(C[N@H+]2CC(C)(C)[C@H]2C(C)C)cc1C(=O)[O-] ZINC001591910660 976323705 /nfs/dbraw/zinc/32/37/05/976323705.db2.gz LKEAOJRRRILGHJ-OAHLLOKOSA-N 0 1 292.423 3.703 20 0 CHADMN CC(C)c1[nH]c(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC001591912301 976341367 /nfs/dbraw/zinc/34/13/67/976341367.db2.gz JGXFGMMJTJFGRL-WFASDCNBSA-N 0 1 290.407 3.601 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722635174 978155526 /nfs/dbraw/zinc/15/55/26/978155526.db2.gz KSQLBEKYDCWYFE-UXIGCNINSA-N 0 1 295.810 3.834 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F)C(C)(C)C ZINC000399723754 1118287096 /nfs/dbraw/zinc/28/70/96/1118287096.db2.gz JHMLTBKFRAPBCW-NSHDSACASA-N 0 1 281.371 3.638 20 0 CHADMN O=C([O-])Cc1ccccc1C[N@@H+](C1CC1)C1CCCCC1 ZINC000846241334 979418963 /nfs/dbraw/zinc/41/89/63/979418963.db2.gz GZZFYJYGRBLZLU-UHFFFAOYSA-N 0 1 287.403 3.611 20 0 CHADMN Cc1cc([C@H](C)[N@H+]2CCC3(CCCC3)C2)oc1C(=O)[O-] ZINC000846244637 979421186 /nfs/dbraw/zinc/42/11/86/979421186.db2.gz MCCZQWVABHVSCB-LBPRGKRZSA-N 0 1 277.364 3.613 20 0 CHADMN C/C(=C\C[N@@H+]1CCC[C@H](C)[C@@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000846248988 979424571 /nfs/dbraw/zinc/42/45/71/979424571.db2.gz JRCSHTRBXWOSHC-FPZAFUISSA-N 0 1 287.403 3.799 20 0 CHADMN C/C(=C\C[N@H+]1CCCC[C@H]1c1cccc(C)c1C)C(=O)[O-] ZINC000846252031 979425792 /nfs/dbraw/zinc/42/57/92/979425792.db2.gz SJXRVBBPAVPRHB-SHRNQRGKSA-N 0 1 287.403 3.861 20 0 CHADMN CC[C@@H]1C[N@@H+](C/C=C(/C)C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000846257344 979427974 /nfs/dbraw/zinc/42/79/74/979427974.db2.gz OTTDFVLTHHFUSM-YLOBKTRHSA-N 0 1 287.403 3.533 20 0 CHADMN C[C@H](C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(F)cc1 ZINC000871622099 979961603 /nfs/dbraw/zinc/96/16/03/979961603.db2.gz ZJLBTGDTHLFRBF-KGLIPLIRSA-N 0 1 293.382 3.506 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@@H+](CC(=O)[O-])C2CC2)c1 ZINC000872157877 980040240 /nfs/dbraw/zinc/04/02/40/980040240.db2.gz SYEBNEJJAPJMMI-UHFFFAOYSA-N 0 1 283.371 3.506 20 0 CHADMN C[N@@H+](Cc1ccnc2c(C(=O)[O-])cccc12)C1CCCCC1 ZINC000901418207 980265572 /nfs/dbraw/zinc/26/55/72/980265572.db2.gz ZHBSCEMQNKFMFJ-UHFFFAOYSA-N 0 1 298.386 3.698 20 0 CHADMN CC1(C)CCC[C@H](C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)C1 ZINC000901554136 980379983 /nfs/dbraw/zinc/37/99/83/980379983.db2.gz XXPSWOLDEVDJTK-GJZGRUSLSA-N 0 1 281.440 3.780 20 0 CHADMN C[C@@H](C[N@H+](Cc1ccccc1)C[C@@H]1CC=CCC1)C(=O)[O-] ZINC000901579036 980390877 /nfs/dbraw/zinc/39/08/77/980390877.db2.gz DHIZJVBXVATPDJ-DOTOQJQBSA-N 0 1 287.403 3.566 20 0 CHADMN C[C@H](C[N@H+](Cc1ccccc1)C[C@@H]1CC=CCC1)C(=O)[O-] ZINC000901579038 980391009 /nfs/dbraw/zinc/39/10/09/980391009.db2.gz DHIZJVBXVATPDJ-NVXWUHKLSA-N 0 1 287.403 3.566 20 0 CHADMN CC(C)C[N@@H+](CCc1ccc(C(C)(C)C)cc1)CC(=O)[O-] ZINC000901591044 980396873 /nfs/dbraw/zinc/39/68/73/980396873.db2.gz XZRZKPRKFVPBBF-UHFFFAOYSA-N 0 1 291.435 3.569 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@@H](c1ccccc1)C(C)C ZINC000901596757 980399720 /nfs/dbraw/zinc/39/97/20/980399720.db2.gz YISYKWXOHCBICZ-QGZVFWFLSA-N 0 1 291.435 3.859 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000901648196 980426415 /nfs/dbraw/zinc/42/64/15/980426415.db2.gz OKPNRQMXNKCLHG-UKRRQHHQSA-N 0 1 287.403 3.917 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000901700193 980454939 /nfs/dbraw/zinc/45/49/39/980454939.db2.gz RSQOEIOWCYKRQK-DOTOQJQBSA-N 0 1 281.440 3.946 20 0 CHADMN Cc1ccc(C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-])c(C)c1 ZINC000901840678 980559057 /nfs/dbraw/zinc/55/90/57/980559057.db2.gz MHHAPSFALNTTED-UHFFFAOYSA-N 0 1 291.435 3.872 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000901992603 980672461 /nfs/dbraw/zinc/67/24/61/980672461.db2.gz KAURQZUIBNGBOS-GFCCVEGCSA-N 0 1 295.810 3.642 20 0 CHADMN C[C@@H](CC1CCCCC1)C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000902006432 980683733 /nfs/dbraw/zinc/68/37/33/980683733.db2.gz GOTIMPZYDWMGLG-DZGCQCFKSA-N 0 1 267.413 3.532 20 0 CHADMN CCCc1ccc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])s1 ZINC000902035046 980706499 /nfs/dbraw/zinc/70/64/99/980706499.db2.gz NBLBEEVPIVQRBB-AWEZNQCLSA-N 0 1 281.421 3.530 20 0 CHADMN CC1(C)CCC[C@@H](C[N@H+]2CCCCC[C@@H]2C(=O)[O-])C1 ZINC000902035135 980706776 /nfs/dbraw/zinc/70/67/76/980706776.db2.gz OTJJNWOULGDJIL-ZIAGYGMSSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CC)CC1(CC(=O)[O-])CC1 ZINC001595363102 980778394 /nfs/dbraw/zinc/77/83/94/980778394.db2.gz ATEWOPLQIVXJQK-HNNXBMFYSA-N 0 1 275.392 3.715 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](Cc2cc(C(=O)[O-])c(CC)o2)C1 ZINC000902282104 980815142 /nfs/dbraw/zinc/81/51/42/980815142.db2.gz OSTPQMRNTMOJMD-QGZVFWFLSA-N 0 1 293.407 3.942 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000902282354 980816586 /nfs/dbraw/zinc/81/65/86/980816586.db2.gz QMHHFKRDAZQPCJ-QWPQOLDESA-N 0 1 291.391 3.780 20 0 CHADMN CCC1(CC)CCC[N@H+]([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001595374850 980888732 /nfs/dbraw/zinc/88/87/32/980888732.db2.gz YMWDPKCSIXRNBD-LLVKDONJSA-N 0 1 296.436 3.805 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2cc(C)c(C(=O)[O-])[nH]2)CC1 ZINC001595374816 980888906 /nfs/dbraw/zinc/88/89/06/980888906.db2.gz WNBVCDKKIIFVON-UHFFFAOYSA-N 0 1 292.423 3.814 20 0 CHADMN CC(C)(CC[N@@H+](Cc1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000902509153 980914517 /nfs/dbraw/zinc/91/45/17/980914517.db2.gz GJMZBAPCVXOITQ-UHFFFAOYSA-N 0 1 295.810 3.805 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2CCC(C)(C)C(=O)[O-])cc1 ZINC000902509732 980914629 /nfs/dbraw/zinc/91/46/29/980914629.db2.gz NVEUOUDFIAYMSF-HNNXBMFYSA-N 0 1 275.392 3.633 20 0 CHADMN C[C@H]1CC[N@@H+](CCC(C)(C)C(=O)[O-])[C@@H](c2ccco2)C1 ZINC000902521431 980918861 /nfs/dbraw/zinc/91/88/61/980918861.db2.gz NLRCIQIQBOBZAR-QWHCGFSZSA-N 0 1 279.380 3.554 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2CCC(C)(C)C(=O)[O-])c1C ZINC000902521896 980919080 /nfs/dbraw/zinc/91/90/80/980919080.db2.gz UOJXWRWGNAIESS-INIZCTEOSA-N 0 1 289.419 3.941 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@H]1CCc1ccccc1)C(=O)[O-] ZINC000902523674 980920071 /nfs/dbraw/zinc/92/00/71/980920071.db2.gz JPKDWMJIQXMIMK-INIZCTEOSA-N 0 1 289.419 3.585 20 0 CHADMN CCC(CC)[N@@H+](Cc1ccc(/C=C/C(=O)[O-])o1)C1CC1 ZINC000902524809 980920825 /nfs/dbraw/zinc/92/08/25/980920825.db2.gz PQBLLDKWSARCNJ-MDZDMXLPSA-N 0 1 277.364 3.530 20 0 CHADMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)C1 ZINC000902524864 980920887 /nfs/dbraw/zinc/92/08/87/980920887.db2.gz QHAWZIGTFHKWCW-CHWSQXEVSA-N 0 1 298.386 3.553 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000902542933 980927021 /nfs/dbraw/zinc/92/70/21/980927021.db2.gz PCNYOULYHMTIDN-DVOMOZLQSA-N 0 1 299.370 3.744 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000902553084 980931295 /nfs/dbraw/zinc/93/12/95/980931295.db2.gz FWQSBJIMXBTOIU-LBPRGKRZSA-N 0 1 299.370 3.875 20 0 CHADMN CCc1ccc([C@@H]2CC[N@H+]([C@@H](C(=O)[O-])[C@H](C)CC)C2)cc1 ZINC000903608170 980989115 /nfs/dbraw/zinc/98/91/15/980989115.db2.gz GQEOSJQMQZNHSX-KBRIMQKVSA-N 0 1 289.419 3.538 20 0 CHADMN C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1occc1C(=O)[O-] ZINC000903631286 981008099 /nfs/dbraw/zinc/00/80/99/981008099.db2.gz MDBKNQQBNFFXEL-XJKSGUPXSA-N 0 1 299.370 3.746 20 0 CHADMN CC(C)C[C@@H]1CCCCC[N@H+]1Cc1cncc(C(=O)[O-])c1 ZINC000903894320 981025562 /nfs/dbraw/zinc/02/55/62/981025562.db2.gz UADODJYZXYHGJF-INIZCTEOSA-N 0 1 290.407 3.571 20 0 CHADMN O=C([O-])C[N@@H+](C[C@@H]1CC2CCC1CC2)C1CCCCC1 ZINC000903902042 981029361 /nfs/dbraw/zinc/02/93/61/981029361.db2.gz TYJVQCHQIWTTDR-NRXISQOPSA-N 0 1 279.424 3.532 20 0 CHADMN O=C([O-])c1cccc2c1CC[N@@H+](CC1CCC3(CC3)CC1)C2 ZINC000903906505 981031116 /nfs/dbraw/zinc/03/11/16/981031116.db2.gz CBFYRPLQQMYYCC-UHFFFAOYSA-N 0 1 299.414 3.713 20 0 CHADMN CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(C)c(C(=O)[O-])o1 ZINC001595443778 981083339 /nfs/dbraw/zinc/08/33/39/981083339.db2.gz BHGUZGQFUGERFP-JSGCOSHPSA-N 0 1 279.380 3.687 20 0 CHADMN CC[C@@H]1CC[N@@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)[C@H]1C ZINC001595464462 981150339 /nfs/dbraw/zinc/15/03/39/981150339.db2.gz OOVKFJQGGDPMCX-WDMOLILDSA-N 0 1 281.783 3.586 20 0 CHADMN CC[C@@H]1CC[N@@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)[C@@H]1C ZINC001595464459 981150422 /nfs/dbraw/zinc/15/04/22/981150422.db2.gz OOVKFJQGGDPMCX-GYSYKLTISA-N 0 1 281.783 3.586 20 0 CHADMN CCC[C@@H](N[C@@H](CC)C1CCCCC1)C(=O)OCC ZINC000097988397 1118666160 /nfs/dbraw/zinc/66/61/60/1118666160.db2.gz FWKDDXLRQTVPJZ-LSDHHAIUSA-N 0 1 269.429 3.667 20 0 CHADMN CC[C@@](C)(C(=O)[O-])[N@H+](Cc1ccc(Cl)cc1)CC1CC1 ZINC001594787595 981824120 /nfs/dbraw/zinc/82/41/20/981824120.db2.gz ISUIIBZBCBFLHW-INIZCTEOSA-N 0 1 295.810 3.805 20 0 CHADMN CC[C@@](C)(C(=O)[O-])[N@@H+](CCCc1ccccc1)CC1CC1 ZINC001594787668 981826066 /nfs/dbraw/zinc/82/60/66/981826066.db2.gz KHPVNZFNFZNBSX-SFHVURJKSA-N 0 1 289.419 3.585 20 0 CHADMN CCCC[C@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])oc1CC ZINC001595631528 981840018 /nfs/dbraw/zinc/84/00/18/981840018.db2.gz SVOKIRMYPXXJAC-NSHDSACASA-N 0 1 267.369 3.551 20 0 CHADMN CCCC[C@H](C)[N@@H+](C)Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001595631572 981841557 /nfs/dbraw/zinc/84/15/57/981841557.db2.gz UYWBLCUNPVESCH-NSHDSACASA-N 0 1 278.396 3.601 20 0 CHADMN CCC(C)(C)CC[N@@H+](CC1CC1)[C@@](C)(CC)C(=O)[O-] ZINC001594808260 981915477 /nfs/dbraw/zinc/91/54/77/981915477.db2.gz KICVNUXZVFUZCA-INIZCTEOSA-N 0 1 269.429 3.778 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC001594874780 982205162 /nfs/dbraw/zinc/20/51/62/982205162.db2.gz DWOBRJMSHOZHOO-NXNVCVFFSA-N 0 1 289.419 3.672 20 0 CHADMN CCCC[N@@H+](CCCCC(=O)[O-])[C@@H]1CCC[C@H](C)C1 ZINC001595745073 982410642 /nfs/dbraw/zinc/41/06/42/982410642.db2.gz REZIBGZJXMBGEX-LSDHHAIUSA-N 0 1 269.429 3.922 20 0 CHADMN CO[C@@H](CN[C@H](C)c1ccco1)c1ccccc1Cl ZINC000090453550 1118900243 /nfs/dbraw/zinc/90/02/43/1118900243.db2.gz LWSUNTFKBASXKI-ABAIWWIYSA-N 0 1 279.767 3.971 20 0 CHADMN CC[C@@H](C)[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1 ZINC001594985073 982796102 /nfs/dbraw/zinc/79/61/02/982796102.db2.gz GEHSKXCKMCNPJY-CYBMUJFWSA-N 0 1 286.375 3.514 20 0 CHADMN CCC[N@@H+](Cc1ccc(F)cc1)[C@@H](C(=O)[O-])[C@@H](C)CC ZINC001595887716 982915465 /nfs/dbraw/zinc/91/54/65/982915465.db2.gz CEMGWXJLCFTZDA-SWLSCSKDSA-N 0 1 281.371 3.537 20 0 CHADMN C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)CC1 ZINC001118315417 982951771 /nfs/dbraw/zinc/95/17/71/982951771.db2.gz ACNFPILDZIRMMA-BXUZGUMPSA-N 0 1 281.783 3.588 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@@H+]([C@H]1CCc3c1cccc3F)C2 ZINC001118493324 982957538 /nfs/dbraw/zinc/95/75/38/982957538.db2.gz UPKSDFUVWNGFIH-KRWDZBQOSA-N 0 1 297.329 3.527 20 0 CHADMN CC[N@@H+](Cc1ccc(C2(C(=O)[O-])CC2)cc1)CC(C)(C)C ZINC001596359332 983833159 /nfs/dbraw/zinc/83/31/59/983833159.db2.gz DLMCZBAFTQEHRW-UHFFFAOYSA-N 0 1 289.419 3.671 20 0 CHADMN C/C(=C\c1ccccc1)C[N@H+](C)Cc1cc(C)c(C(=O)[O-])[nH]1 ZINC001589003922 984958825 /nfs/dbraw/zinc/95/88/25/984958825.db2.gz QYOLUAJICLLCPI-UKTHLTGXSA-N 0 1 298.386 3.557 20 0 CHADMN Cc1cc(CN2CCC(C3CC3)CC2)cc(Cl)n1 ZINC000724812016 1119360269 /nfs/dbraw/zinc/36/02/69/1119360269.db2.gz NFBYQSDZVBOXRL-UHFFFAOYSA-N 0 1 264.800 3.665 20 0 CHADMN Cc1ccc(C[C@H]2CCCN2Cc2nnc(C(C)C)o2)cc1 ZINC000113263821 1125493273 /nfs/dbraw/zinc/49/32/73/1125493273.db2.gz OOGHWBPQDAWSIP-MRXNPFEDSA-N 0 1 299.418 3.709 20 0 CHADMN C[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)CC(C)(C)C1 ZINC001594501513 985688837 /nfs/dbraw/zinc/68/88/37/985688837.db2.gz OZIZPJKRJBHDKO-FZMZJTMJSA-N 0 1 295.810 3.834 20 0 CHADMN Cc1[nH]c(C[N@H+](C)[C@@H]2CCCc3ccccc32)cc1C(=O)[O-] ZINC001599962774 985823023 /nfs/dbraw/zinc/82/30/23/985823023.db2.gz TYHFFHWZKXIVCA-QGZVFWFLSA-N 0 1 298.386 3.531 20 0 CHADMN Cc1[nH]c(C[N@H+](C)[C@H]2CCCc3ccccc32)cc1C(=O)[O-] ZINC001599962771 985823484 /nfs/dbraw/zinc/82/34/84/985823484.db2.gz TYHFFHWZKXIVCA-KRWDZBQOSA-N 0 1 298.386 3.531 20 0 CHADMN CCc1noc([C@H](C)N[C@H](C)[C@H](C)C2CCCCC2)n1 ZINC000248570463 1119490026 /nfs/dbraw/zinc/49/00/26/1119490026.db2.gz LYDHEMGWJFKHBZ-XQQFMLRXSA-N 0 1 279.428 3.888 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2F)[C@@H]2CCCC[C@@H]21 ZINC001594537113 986158077 /nfs/dbraw/zinc/15/80/77/986158077.db2.gz VCQDVRWZRQVNGL-DJSGYFEHSA-N 0 1 291.366 3.534 20 0 CHADMN CC(C)(C)OCCN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000081604771 1119518799 /nfs/dbraw/zinc/51/87/99/1119518799.db2.gz FIHLMVVERBQHTN-CQSZACIVSA-N 0 1 267.800 3.902 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)CCC(F)(F)F ZINC000092479108 1119562894 /nfs/dbraw/zinc/56/28/94/1119562894.db2.gz NFVIOFLNSQVVOE-ZRDIBKRKSA-N 0 1 257.299 3.974 20 0 CHADMN CC(C)C1CCC(N(C)Cc2nccn2C(F)F)CC1 ZINC000092901760 1119568040 /nfs/dbraw/zinc/56/80/40/1119568040.db2.gz VDABGURFVVUMCH-UHFFFAOYSA-N 0 1 285.382 3.925 20 0 CHADMN CC1(C)CCN1Cc1cnc(C2CCCC2)s1 ZINC000093460257 1119574087 /nfs/dbraw/zinc/57/40/87/1119574087.db2.gz NVAZIFWXIHEZOY-UHFFFAOYSA-N 0 1 250.411 3.785 20 0 CHADMN CCS[C@H]1CC[C@@H](N(C)Cc2nc3ccccc3[nH]2)C1 ZINC000131928532 1125497434 /nfs/dbraw/zinc/49/74/34/1125497434.db2.gz DQJUZPBNHUNILE-OLZOCXBDSA-N 0 1 289.448 3.669 20 0 CHADMN C[C@@H]1c2sccc2CC[N@@H+]1C[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001594672756 986989132 /nfs/dbraw/zinc/98/91/32/986989132.db2.gz AFRNZGWOKLDOHY-MRVWCRGKSA-N 0 1 293.432 3.558 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1cccc(C(C)(C)C)c1)C1CCC1 ZINC001589487173 987044028 /nfs/dbraw/zinc/04/40/28/987044028.db2.gz SSADEFAWDBHQJX-ZDUSSCGKSA-N 0 1 289.419 3.812 20 0 CHADMN CCc1[nH]c(C[N@@H+](C)C2CCCCCCC2)cc1C(=O)[O-] ZINC001597380684 987578631 /nfs/dbraw/zinc/57/86/31/987578631.db2.gz WFXUKVJLRGEJAI-UHFFFAOYSA-N 0 1 292.423 3.820 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@H+]1Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001589731870 987950914 /nfs/dbraw/zinc/95/09/14/987950914.db2.gz ANIAEPNUFKUNLF-AWEZNQCLSA-N 0 1 290.407 3.601 20 0 CHADMN CCc1cccc(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001597587490 988412918 /nfs/dbraw/zinc/41/29/18/988412918.db2.gz YVINHHHZMXUZHU-QGZVFWFLSA-N 0 1 283.371 3.507 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000115552227 1125504416 /nfs/dbraw/zinc/50/44/16/1125504416.db2.gz VASABZMRFSHEOT-WWGRRREGSA-N 0 1 297.402 3.886 20 0 CHADMN CCc1cnc(CNc2ccnc(C)c2Cl)s1 ZINC000310565241 1119939111 /nfs/dbraw/zinc/93/91/11/1119939111.db2.gz XGTPXFODNSZZMZ-UHFFFAOYSA-N 0 1 267.785 3.674 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC001597761670 989190840 /nfs/dbraw/zinc/19/08/40/989190840.db2.gz QSSNSCBIIWHAQB-YPMHNXCESA-N 0 1 279.380 3.551 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC001597761667 989191893 /nfs/dbraw/zinc/19/18/93/989191893.db2.gz QSSNSCBIIWHAQB-AAEUAGOBSA-N 0 1 279.380 3.551 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC001597763281 989205137 /nfs/dbraw/zinc/20/51/37/989205137.db2.gz UTFAZCFATKWRBA-IACUBPJLSA-N 0 1 291.391 3.551 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1cccc(F)c1F ZINC000414280786 1119963478 /nfs/dbraw/zinc/96/34/78/1119963478.db2.gz DUPIYUSSYLVJNN-UFGOTCBOSA-N 0 1 257.299 3.896 20 0 CHADMN CN(CCCOCC(F)(F)F)Cc1ccccc1Cl ZINC000053603037 1120040437 /nfs/dbraw/zinc/04/04/37/1120040437.db2.gz KPZRMJPGDJLJSD-UHFFFAOYSA-N 0 1 295.732 3.741 20 0 CHADMN CC1(C)CC[C@@H]1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000613589730 1120091110 /nfs/dbraw/zinc/09/11/10/1120091110.db2.gz FCDUQJBGWIOPRT-MRVPVSSYSA-N 0 1 271.719 3.559 20 0 CHADMN Cc1ncsc1CN(C)Cc1c(C)cccc1C ZINC000172536996 1120106468 /nfs/dbraw/zinc/10/64/68/1120106468.db2.gz VGWBLIMTINAISK-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN CCc1nocc1CN1CCC[C@@H]1c1ccsc1 ZINC000659838036 1120151676 /nfs/dbraw/zinc/15/16/76/1120151676.db2.gz DVSZNCLUDZMXHQ-CQSZACIVSA-N 0 1 262.378 3.636 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2)C1 ZINC001591087463 991608682 /nfs/dbraw/zinc/60/86/82/991608682.db2.gz MWRHOJPGEGDZHP-UKRRQHHQSA-N 0 1 295.810 3.834 20 0 CHADMN CC(C)[C@@H]1[N@@H+](CCC(C)(C)C(=O)[O-])CC12CCCCC2 ZINC001591098713 991704190 /nfs/dbraw/zinc/70/41/90/991704190.db2.gz DTBHBWAZAKXEAA-AWEZNQCLSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)[C@H]1[N@@H+](Cc2ccc(C(=O)[O-])o2)CC12CCCCC2 ZINC001591099190 991708461 /nfs/dbraw/zinc/70/84/61/991708461.db2.gz HHRUVCQBUARDOB-OAHLLOKOSA-N 0 1 291.391 3.769 20 0 CHADMN CC(C)[C@H]1[N@@H+](Cc2cccc(C(=O)[O-])c2)CC12CC=CC2 ZINC001591099880 991716471 /nfs/dbraw/zinc/71/64/71/991716471.db2.gz OXWPJJLKMWITJR-MRXNPFEDSA-N 0 1 285.387 3.561 20 0 CHADMN C[N@@H+](C/C=C/c1cccc(F)c1)C1(C(=O)[O-])CCCCC1 ZINC001598468974 991994447 /nfs/dbraw/zinc/99/44/47/991994447.db2.gz VGCKGAIDZUKXGI-SOFGYWHQSA-N 0 1 291.366 3.558 20 0 CHADMN CC(C)C[C@]1(C)CCC[N@H+]1C[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001591192083 992006199 /nfs/dbraw/zinc/00/61/99/992006199.db2.gz LNUGPUIXLGRQBC-INMHGKMJSA-N 0 1 281.440 3.778 20 0 CHADMN COc1ccc(Cl)c(CN2CC3CCC2CC3)c1 ZINC001116771753 1120214092 /nfs/dbraw/zinc/21/40/92/1120214092.db2.gz VSJWOMOVZCTRHO-UHFFFAOYSA-N 0 1 265.784 3.723 20 0 CHADMN CC(C)C[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2)C1 ZINC001591207485 992041559 /nfs/dbraw/zinc/04/15/59/992041559.db2.gz NRUZYCQRICDXAF-HOCLYGCPSA-N 0 1 275.392 3.570 20 0 CHADMN CC(C)CC1CC[NH+]([C@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001591210966 992049268 /nfs/dbraw/zinc/04/92/68/992049268.db2.gz JPUBCXDQPRYCNS-LLVKDONJSA-N 0 1 296.436 3.660 20 0 CHADMN CC(C)CCC1CC[NH+]([C@@H](C)c2nc(C(=O)[O-])co2)CC1 ZINC001591228623 992105163 /nfs/dbraw/zinc/10/51/63/992105163.db2.gz SQTJVLUYUZAPIN-LBPRGKRZSA-N 0 1 294.395 3.582 20 0 CHADMN CC(C)CCCC[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001591237064 992120979 /nfs/dbraw/zinc/12/09/79/992120979.db2.gz XCWGURIECBJRRY-GOSISDBHSA-N 0 1 289.419 3.541 20 0 CHADMN CC(C)C[N@@H+](CCc1ccccc1)CCC(C)(C)C(=O)[O-] ZINC001591343062 992323145 /nfs/dbraw/zinc/32/31/45/992323145.db2.gz PHLMKBDAJKTNFR-UHFFFAOYSA-N 0 1 291.435 3.688 20 0 CHADMN C[N@@H+](Cc1cc(C(=O)[O-])co1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001598506701 992512999 /nfs/dbraw/zinc/51/29/99/992512999.db2.gz FSRHJFFTXZEAJD-KBPBESRZSA-N 0 1 279.380 3.624 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C(C)(C)CC(=O)[O-] ZINC001598517376 992633113 /nfs/dbraw/zinc/63/31/13/992633113.db2.gz GYGDUOQBKNKKPS-UHFFFAOYSA-N 0 1 290.190 3.679 20 0 CHADMN CC(C)[N@@H+]([C@@H](C)c1ncc(C(=O)[O-])s1)C1CCCCC1 ZINC001591562315 992768667 /nfs/dbraw/zinc/76/86/67/992768667.db2.gz OQNIDFWBFFVPBD-NSHDSACASA-N 0 1 296.436 3.945 20 0 CHADMN C[N@@H+](Cc1ccoc1C(=O)[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC001598532302 992796687 /nfs/dbraw/zinc/79/66/87/992796687.db2.gz FLKATESYQGIJQE-STQMWFEESA-N 0 1 279.380 3.624 20 0 CHADMN CC(C)[N@@H+](Cc1occc1C(=O)[O-])C1CCCCC1 ZINC001591603910 992839350 /nfs/dbraw/zinc/83/93/50/992839350.db2.gz ASRWAHOLTNKTIM-UHFFFAOYSA-N 0 1 265.353 3.521 20 0 CHADMN CCCCN(Cc1ocnc1C)Cc1ccccc1 ZINC001141054139 1120279074 /nfs/dbraw/zinc/27/90/74/1120279074.db2.gz FUKLXJFASGVBRU-UHFFFAOYSA-N 0 1 258.365 3.785 20 0 CHADMN C[C@@H](N[C@@H]1CSC1(C)C)c1nc2c(s1)CCCC2 ZINC000338778069 1120299962 /nfs/dbraw/zinc/29/99/62/1120299962.db2.gz OSWUCYIMCFTPJK-BXKDBHETSA-N 0 1 282.478 3.567 20 0 CHADMN CO[C@H](C)CN(Cc1nsc2ccccc12)C(C)C ZINC000659949365 1120304042 /nfs/dbraw/zinc/30/40/42/1120304042.db2.gz UHRWLEHLEGBYDC-GFCCVEGCSA-N 0 1 278.421 3.542 20 0 CHADMN CCN(Cc1csc(-c2ccoc2)n1)C(C)C ZINC000108362406 1120314886 /nfs/dbraw/zinc/31/48/86/1120314886.db2.gz ZOBZVFAZDQGGBE-UHFFFAOYSA-N 0 1 250.367 3.633 20 0 CHADMN COc1c(F)cc(F)cc1CN1CCCC[C@@H](C)C1 ZINC001143552326 1120341422 /nfs/dbraw/zinc/34/14/22/1120341422.db2.gz YQSMVUQNSXPSQI-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN C[C@H](NCCCC(C)(C)C)c1nc(C(C)(C)C)no1 ZINC000499626698 1120369115 /nfs/dbraw/zinc/36/91/15/1120369115.db2.gz RAERKGPLULZKAU-NSHDSACASA-N 0 1 267.417 3.844 20 0 CHADMN C[C@@H]([NH2+]Cc1ccc(Cl)s1)c1cc(C(=O)[O-])co1 ZINC001593298199 994710957 /nfs/dbraw/zinc/71/09/57/994710957.db2.gz FJCATBIMLSETDA-SSDOTTSWSA-N 0 1 285.752 3.544 20 0 CHADMN C[C@H](CCc1ccccc1)N[C@H]1CCCC1(F)F ZINC000397972501 1120537945 /nfs/dbraw/zinc/53/79/45/1120537945.db2.gz UJLRFIGUHPZWFF-OCCSQVGLSA-N 0 1 253.336 3.785 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2ccc(F)cc2C)s1 ZINC000922669932 1120576423 /nfs/dbraw/zinc/57/64/23/1120576423.db2.gz FSICQOJHGHUZQC-JTQLQIEISA-N 0 1 264.369 3.750 20 0 CHADMN COc1cccc(CN2CCS[C@H](C)CC2)c1Cl ZINC000660411974 1120587868 /nfs/dbraw/zinc/58/78/68/1120587868.db2.gz ATDIITQJEGOALM-LLVKDONJSA-N 0 1 285.840 3.676 20 0 CHADMN C[C@@H](c1cccs1)[N@H+](C)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001593722747 996252744 /nfs/dbraw/zinc/25/27/44/996252744.db2.gz BOCRKLMFZWRINB-IUCAKERBSA-N 0 1 296.417 3.657 20 0 CHADMN C[C@@H](c1cccs1)[N@@H+](C)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001593722747 996252750 /nfs/dbraw/zinc/25/27/50/996252750.db2.gz BOCRKLMFZWRINB-IUCAKERBSA-N 0 1 296.417 3.657 20 0 CHADMN C[C@H](c1cccs1)[N@H+](C)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001593722748 996252843 /nfs/dbraw/zinc/25/28/43/996252843.db2.gz BOCRKLMFZWRINB-RKDXNWHRSA-N 0 1 296.417 3.657 20 0 CHADMN C[C@H](c1cccs1)[N@@H+](C)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001593722748 996252847 /nfs/dbraw/zinc/25/28/47/996252847.db2.gz BOCRKLMFZWRINB-RKDXNWHRSA-N 0 1 296.417 3.657 20 0 CHADMN Cc1ccc2sc(CN(C)[C@@H]3CCSC3)nc2c1 ZINC000625263134 1120656685 /nfs/dbraw/zinc/65/66/85/1120656685.db2.gz BSZYZPPZMFOOIY-LLVKDONJSA-N 0 1 278.446 3.542 20 0 CHADMN C[C@]1(C2CCCCC2)CC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC001593992662 997273887 /nfs/dbraw/zinc/27/38/87/997273887.db2.gz MJAYMBBWJOKVMD-MRXNPFEDSA-N 0 1 293.432 3.991 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1nc(-c2cccs2)no1 ZINC000661234501 1120742359 /nfs/dbraw/zinc/74/23/59/1120742359.db2.gz NAHSBWFDHVVCES-SNVBAGLBSA-N 0 1 279.409 3.712 20 0 CHADMN C[C@@H]1CCN(Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000511970640 1120944131 /nfs/dbraw/zinc/94/41/31/1120944131.db2.gz DFHLIMIOSQHSHH-SECBINFHSA-N 0 1 261.262 3.686 20 0 CHADMN CCCCC[C@@H]1CCCCN1[C@H](C)C(=O)OCCC ZINC001174780274 1121028079 /nfs/dbraw/zinc/02/80/79/1121028079.db2.gz OCAKCWTWOKKZGN-HUUCEWRRSA-N 0 1 269.429 3.763 20 0 CHADMN CC(C)C[C@H]1COCCN1CCSC1CCCCC1 ZINC001174827410 1121047705 /nfs/dbraw/zinc/04/77/05/1121047705.db2.gz RPPGNCHGCOTMLV-HNNXBMFYSA-N 0 1 285.497 3.799 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1ccc(Cl)nc1 ZINC000773429543 1121101452 /nfs/dbraw/zinc/10/14/52/1121101452.db2.gz UVYDNVMVGOSVMF-NSHDSACASA-N 0 1 275.783 3.543 20 0 CHADMN C[C@H]1C[C@H](CC[N@H+]2CCCCC[C@H]2C(=O)[O-])C[C@@H](C)C1 ZINC001594222841 998858584 /nfs/dbraw/zinc/85/85/84/998858584.db2.gz JNDHRLTZTOCVTQ-JJXSEGSLSA-N 0 1 281.440 3.778 20 0 CHADMN C[C@H]1CCC[C@H](CC[N@@H+](CCC(F)(F)F)CC(=O)[O-])C1 ZINC001594345322 999306366 /nfs/dbraw/zinc/30/63/66/999306366.db2.gz SBQVYVZJIOAVLW-NWDGAFQWSA-N 0 1 295.345 3.542 20 0 CHADMN C[C@@H](c1ccccc1Cl)N1CCOCC2(CCC2)C1 ZINC000544759474 1121300956 /nfs/dbraw/zinc/30/09/56/1121300956.db2.gz GSCISNFGRTVWHO-ZDUSSCGKSA-N 0 1 279.811 3.904 20 0 CHADMN C[C@H]1CCCC[C@H]1CC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000676346052 1121425552 /nfs/dbraw/zinc/42/55/52/1121425552.db2.gz CZQCBDJDKREHII-IUCAKERBSA-N 0 1 289.301 3.583 20 0 CHADMN CCS[C@@H]1CC[C@@H](N(C)Cc2ncoc2C(C)C)C1 ZINC000092798414 1121575197 /nfs/dbraw/zinc/57/51/97/1121575197.db2.gz XHLJQUQFMZWVJE-CHWSQXEVSA-N 0 1 282.453 3.904 20 0 CHADMN CC1CCC(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)CC1 ZINC000135051762 1121603828 /nfs/dbraw/zinc/60/38/28/1121603828.db2.gz OZCKSBZHRIZZGT-YMAMQOFZSA-N 0 1 281.440 3.636 20 0 CHADMN C[C@H]1CCCN(Cc2cc(O)ccc2Br)[C@H]1C ZINC000252153923 1121662328 /nfs/dbraw/zinc/66/23/28/1121662328.db2.gz MYXKZPTUFRAEOX-QWRGUYRKSA-N 0 1 298.224 3.775 20 0 CHADMN Clc1ccc(CNCc2cncs2)cc1Cl ZINC000164726138 1121701292 /nfs/dbraw/zinc/70/12/92/1121701292.db2.gz OASLEYGKCCBOIA-UHFFFAOYSA-N 0 1 273.188 3.740 20 0 CHADMN CCCCCC[C@@H](C)CC(=O)N1CCN(C(C)C)CC1 ZINC000727676568 1121734992 /nfs/dbraw/zinc/73/49/92/1121734992.db2.gz FDSCVBASYRQHJF-MRXNPFEDSA-N 0 1 282.472 3.536 20 0 CHADMN Cc1c(Cl)cc(NC(=O)Cc2ccc[nH]2)c(O)c1Cl ZINC001177869276 1121752975 /nfs/dbraw/zinc/75/29/75/1121752975.db2.gz CURXZZXDCFZVKJ-UHFFFAOYSA-N 0 1 299.157 3.517 20 0 CHADMN CCOc1cccc(F)c1CN1CCC[C@@H]1CSC ZINC001179854920 1121916996 /nfs/dbraw/zinc/91/69/96/1121916996.db2.gz KPDMYKCTJBUIOO-GFCCVEGCSA-N 0 1 283.412 3.552 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2cccnc2Cl)C1 ZINC000732569674 1121928824 /nfs/dbraw/zinc/92/88/24/1121928824.db2.gz VKWIWYSVAYIRFW-CYBMUJFWSA-N 0 1 284.856 3.843 20 0 CHADMN C[C@]1(F)CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000501423525 1121977925 /nfs/dbraw/zinc/97/79/25/1121977925.db2.gz FYBCDRKWPZMZCC-LBPRGKRZSA-N 0 1 261.262 3.639 20 0 CHADMN Cc1nnc([C@H](C)N[C@H](C)CCc2ccsc2)s1 ZINC001180674188 1122008120 /nfs/dbraw/zinc/00/81/20/1122008120.db2.gz TXBWJQFXSCHRPJ-ZJUUUORDSA-N 0 1 281.450 3.580 20 0 CHADMN CCC[C@H](C(=O)OCC)N1CCC[C@H]1c1cccs1 ZINC000502721272 1122141870 /nfs/dbraw/zinc/14/18/70/1122141870.db2.gz IEFAYYUORALHCA-QWHCGFSZSA-N 0 1 281.421 3.617 20 0 CHADMN CC(C)n1cc(CN2CCC[C@H](CC(F)(F)F)C2)cn1 ZINC000421393406 1122110660 /nfs/dbraw/zinc/11/06/60/1122110660.db2.gz RTFTZEBFVACISF-GFCCVEGCSA-N 0 1 289.345 3.628 20 0 CHADMN FCCCCSc1nnc(CCC2CCCC2)[nH]1 ZINC000505664061 1122458438 /nfs/dbraw/zinc/45/84/38/1122458438.db2.gz SPUDZFPZXIIMDL-UHFFFAOYSA-N 0 1 271.405 3.769 20 0 CHADMN FCCCCSc1nc(CCC2CCCC2)n[nH]1 ZINC000505664061 1122458441 /nfs/dbraw/zinc/45/84/41/1122458441.db2.gz SPUDZFPZXIIMDL-UHFFFAOYSA-N 0 1 271.405 3.769 20 0 CHADMN C[N@@H+](CCCCCC(=O)[O-])Cc1cc(Cl)ccc1F ZINC000515065695 1122473329 /nfs/dbraw/zinc/47/33/29/1122473329.db2.gz HFQVUUWEDZXSKS-UHFFFAOYSA-N 0 1 287.762 3.556 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H](C)C(C)(C)C)c1 ZINC000436651877 1122567439 /nfs/dbraw/zinc/56/74/39/1122567439.db2.gz YPKLPOGLEMNYBO-JTQLQIEISA-N 0 1 277.364 3.606 20 0 CHADMN CCC1(C)CN(C(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000436654883 1122567841 /nfs/dbraw/zinc/56/78/41/1122567841.db2.gz JTTYJJYEQAEPPH-UHFFFAOYSA-N 0 1 288.174 3.571 20 0 CHADMN CC(C)[C@@H]1CCCCC[N@H+]1Cc1c(F)cncc1F ZINC001192654186 1122653504 /nfs/dbraw/zinc/65/35/04/1122653504.db2.gz WEWMCVMGBMNDQV-HNNXBMFYSA-N 0 1 268.351 3.760 20 0 CHADMN CC(C)[C@@H]1CCCCCN1Cc1c(F)cncc1F ZINC001192654186 1122653507 /nfs/dbraw/zinc/65/35/07/1122653507.db2.gz WEWMCVMGBMNDQV-HNNXBMFYSA-N 0 1 268.351 3.760 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2csc(C3CC3)n2)C1 ZINC000438342208 1122692514 /nfs/dbraw/zinc/69/25/14/1122692514.db2.gz QYCYEQZEGFMLCQ-ZDUSSCGKSA-N 0 1 264.438 3.889 20 0 CHADMN CC[C@@H](C)COC(=O)N=c1cc2[nH]snc-2cc1Cl ZINC001194803622 1122805510 /nfs/dbraw/zinc/80/55/10/1122805510.db2.gz DJEQCBOUYWEMTA-SSDOTTSWSA-N 0 1 299.783 3.939 20 0 CHADMN CC(C)c1nc(CN2CC[C@H]3CCC[C@@H]32)cs1 ZINC000426469125 1122799482 /nfs/dbraw/zinc/79/94/82/1122799482.db2.gz HHPIOBVPZHLBRT-YPMHNXCESA-N 0 1 250.411 3.641 20 0 CHADMN Fc1cc(CN2CC[C@H]3CCC[C@@H]32)ccc1Br ZINC000426520107 1122813063 /nfs/dbraw/zinc/81/30/63/1122813063.db2.gz DRRAOXAUTFLTQO-RISCZKNCSA-N 0 1 298.199 3.963 20 0 CHADMN Clc1cnc(CN2C[C@@H]3CC=CC[C@@H]3C2)c(Cl)c1 ZINC001197020790 1122943326 /nfs/dbraw/zinc/94/33/26/1122943326.db2.gz JVGVTNCUJCIQST-PHIMTYICSA-N 0 1 283.202 3.786 20 0 CHADMN CC1(C)Cc2n[nH]cc2CN(CCCCC(F)(F)F)C1 ZINC000664865257 1122946493 /nfs/dbraw/zinc/94/64/93/1122946493.db2.gz HBEOBVMWLUIHCS-UHFFFAOYSA-N 0 1 289.345 3.527 20 0 CHADMN C[C@H]1c2sccc2CCN1CCCOC(F)(F)F ZINC001197431640 1122957122 /nfs/dbraw/zinc/95/71/22/1122957122.db2.gz HKDSFOSMALDYHT-VIFPVBQESA-N 0 1 279.327 3.594 20 0 CHADMN Clc1ccc2c(c1Cl)OC[C@H]2NCc1cc[nH]c1 ZINC000334178283 1122968329 /nfs/dbraw/zinc/96/83/29/1122968329.db2.gz CSIZLLJTLJVYIJ-LLVKDONJSA-N 0 1 283.158 3.545 20 0 CHADMN FC(F)(F)[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)CCS1 ZINC001197825941 1122971417 /nfs/dbraw/zinc/97/14/17/1122971417.db2.gz HVLZADVYRSOZGN-GFCCVEGCSA-N 0 1 293.398 3.937 20 0 CHADMN CC(C)C[C@@H](C)N1CCc2cc(F)cc(F)c2C1 ZINC001198844080 1123011901 /nfs/dbraw/zinc/01/19/01/1123011901.db2.gz DQPFXLVJBYJMHF-LLVKDONJSA-N 0 1 253.336 3.758 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](C)CCO[C@@H]1CCCC[C@H]1C ZINC000519903611 1123037808 /nfs/dbraw/zinc/03/78/08/1123037808.db2.gz OUOYWZKRVIKFST-RBSFLKMASA-N 0 1 265.397 3.868 20 0 CHADMN C[C@H](c1ccco1)N(C)CCO[C@@H]1CCCC[C@H]1C ZINC000519903611 1123037811 /nfs/dbraw/zinc/03/78/11/1123037811.db2.gz OUOYWZKRVIKFST-RBSFLKMASA-N 0 1 265.397 3.868 20 0 CHADMN CC(C)=CCC[C@@H](C)CN1CCN(CC(F)(F)F)CC1 ZINC001201492317 1123109592 /nfs/dbraw/zinc/10/95/92/1123109592.db2.gz YZJRBRMMNYZRIK-CQSZACIVSA-N 0 1 292.389 3.549 20 0 CHADMN CCC[C@@H](C)CN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001201552132 1123118983 /nfs/dbraw/zinc/11/89/83/1123118983.db2.gz AQMKMBAQDZOPGE-BXKDBHETSA-N 0 1 275.318 3.779 20 0 CHADMN FC1(F)[C@H]2CN(CCSc3cccc(Cl)c3)C[C@H]21 ZINC000852214563 1123400303 /nfs/dbraw/zinc/40/03/03/1123400303.db2.gz WYOIEGUUDXIFKA-TXEJJXNPSA-N 0 1 289.778 3.629 20 0 CHADMN Clc1csc(CN2CCC3(CCCCO3)CC2)c1 ZINC000895654069 1123501428 /nfs/dbraw/zinc/50/14/28/1123501428.db2.gz NUYQFVXFWFTKRT-UHFFFAOYSA-N 0 1 285.840 3.937 20 0 CHADMN FC(F)(F)c1nc(CN[C@]23C[C@H]2CCCC3)cs1 ZINC000895754578 1123511357 /nfs/dbraw/zinc/51/13/57/1123511357.db2.gz XNCVIJYISUHORN-LDYMZIIASA-N 0 1 276.327 3.584 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cc(C)ccc2F)s1 ZINC000631224087 1123557361 /nfs/dbraw/zinc/55/73/61/1123557361.db2.gz MWOZQZMYXKJJNH-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN Cc1noc(C)c1-c1nc2ccc(Cl)c(C)c2[nH]1 ZINC000713580836 1123566919 /nfs/dbraw/zinc/56/69/19/1123566919.db2.gz OYPRNSQGOGVHPF-UHFFFAOYSA-N 0 1 261.712 3.797 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CNC(C)(C)/C=C\Cl ZINC000896747794 1123619326 /nfs/dbraw/zinc/61/93/26/1123619326.db2.gz PQPUWMKOIBXUPP-HJWRWDBZSA-N 0 1 283.847 3.876 20 0 CHADMN CC(C)COCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000865347085 1123972333 /nfs/dbraw/zinc/97/23/33/1123972333.db2.gz RXHDAHIDXOAFQN-UHFFFAOYSA-N 0 1 297.811 3.847 20 0 CHADMN Fc1cccc(Cl)c1CNc1nccn1C1CC1 ZINC000840887680 1123999084 /nfs/dbraw/zinc/99/90/84/1123999084.db2.gz TZBYFVGEQXHXIY-UHFFFAOYSA-N 0 1 265.719 3.623 20 0 CHADMN CO[C@@]1(C)CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000475558035 1124009816 /nfs/dbraw/zinc/00/98/16/1124009816.db2.gz GSTHIRDJSLKXKR-HNNXBMFYSA-N 0 1 285.790 3.870 20 0 CHADMN C[C@H]1CCCC[C@H]1N(C)Cc1ncc(Cl)s1 ZINC000444661882 1124049218 /nfs/dbraw/zinc/04/92/18/1124049218.db2.gz BFIDMGKYIMNURU-VHSXEESVSA-N 0 1 258.818 3.807 20 0 CHADMN CCCc1nc(C)c(CN(C)Cc2sccc2C)o1 ZINC000428454742 1124123543 /nfs/dbraw/zinc/12/35/43/1124123543.db2.gz DYBUCPNNTSHLRV-UHFFFAOYSA-N 0 1 278.421 3.937 20 0 CHADMN C[C@@H]1CN(CCSc2ccccc2F)C[C@H](C)S1 ZINC000525785832 1124465886 /nfs/dbraw/zinc/46/58/86/1124465886.db2.gz CDEDKXLJKYCUBG-TXEJJXNPSA-N 0 1 285.453 3.744 20 0 CHADMN CO[C@H]1CCCN(CCCc2c(F)cccc2Cl)C1 ZINC000447738256 1124521602 /nfs/dbraw/zinc/52/16/02/1124521602.db2.gz DZUTWMMMZIGPCH-LBPRGKRZSA-N 0 1 285.790 3.523 20 0 CHADMN CC1(C)CC(CN2CCO[C@@H](c3ccsc3)C2)C1 ZINC000528405202 1124655562 /nfs/dbraw/zinc/65/55/62/1124655562.db2.gz QUPIQSMWVRUVBH-CQSZACIVSA-N 0 1 265.422 3.558 20 0 CHADMN C[C@@H]1CC[C@]2(CCN(Cc3ncccc3Cl)C2)C1 ZINC000528439694 1124666935 /nfs/dbraw/zinc/66/69/35/1124666935.db2.gz FTKHIQJROYDISG-DOMZBBRYSA-N 0 1 264.800 3.747 20 0 CHADMN Clc1cc(CN2CCOCC3(CC3)C2)c(Cl)s1 ZINC000449234005 1124675820 /nfs/dbraw/zinc/67/58/20/1124675820.db2.gz OQOULFZJOHIHBG-UHFFFAOYSA-N 0 1 292.231 3.667 20 0 CHADMN CC(C)N(C)Cc1cc(Br)c(F)cc1F ZINC001136849385 1131462768 /nfs/dbraw/zinc/46/27/68/1131462768.db2.gz JFUMOGWCFGVKNW-UHFFFAOYSA-N 0 1 278.140 3.568 20 0 CHADMN Clc1ccc(CN2CCCC3(CCCCC3)C2)nn1 ZINC000876733246 1124973057 /nfs/dbraw/zinc/97/30/57/1124973057.db2.gz SPGOTHQWMSEVGF-UHFFFAOYSA-N 0 1 279.815 3.676 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1Cc1ccc(Cl)nn1 ZINC000876756003 1124975038 /nfs/dbraw/zinc/97/50/38/1124975038.db2.gz OTSCHONAFBIOLD-WCQYABFASA-N 0 1 267.804 3.531 20 0 CHADMN CC(C)C[C@H]1CCCCN1Cc1nnc(C2CC2)s1 ZINC000450585948 1125062976 /nfs/dbraw/zinc/06/29/76/1125062976.db2.gz QTEGOOXTWUXVGZ-CYBMUJFWSA-N 0 1 279.453 3.816 20 0 CHADMN CC(C)c1ncc(CN2CCC(CCF)CC2)s1 ZINC000877673249 1125063510 /nfs/dbraw/zinc/06/35/10/1125063510.db2.gz DJXKAOZMOCBEBU-UHFFFAOYSA-N 0 1 270.417 3.838 20 0 CHADMN CCCCN(C)[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000877901412 1125097608 /nfs/dbraw/zinc/09/76/08/1125097608.db2.gz YOGPSCNNPNIYNX-LBPRGKRZSA-N 0 1 282.815 3.707 20 0 CHADMN C[C@@H]1CC[N@@H+](CCCCCC(=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000582365481 1125108106 /nfs/dbraw/zinc/10/81/06/1125108106.db2.gz WZAUHQZEDDVMPO-ILXRZTDVSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@H](NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ncco1 ZINC000925240248 1125189451 /nfs/dbraw/zinc/18/94/51/1125189451.db2.gz OKVFOXSWTGCUFN-GARJFASQSA-N 0 1 276.302 3.694 20 0 CHADMN Cc1cccc(CN2CCc3ccsc3[C@@H]2C)n1 ZINC000880376701 1125270112 /nfs/dbraw/zinc/27/01/12/1125270112.db2.gz IWPOUJNGLFMVAQ-LBPRGKRZSA-N 0 1 258.390 3.571 20 0 CHADMN CCC[C@H](C)N(C)CC(=O)Nc1ccc(C)cc1Cl ZINC000532481954 1125406924 /nfs/dbraw/zinc/40/69/24/1125406924.db2.gz LTLBSTVSVQVWGU-LBPRGKRZSA-N 0 1 282.815 3.707 20 0 CHADMN CC(C)CC[C@H]1CCCN1Cc1nc(C(C)(C)C)no1 ZINC000532623586 1125428421 /nfs/dbraw/zinc/42/84/21/1125428421.db2.gz PCGNWKUQJZJLCA-CYBMUJFWSA-N 0 1 279.428 3.768 20 0 CHADMN C[C@H](Sc1n[nH]c(C2CC2)n1)c1ccc(F)cc1F ZINC000124966501 1125444201 /nfs/dbraw/zinc/44/42/01/1125444201.db2.gz CUVCJKJUIODOHZ-ZETCQYMHSA-N 0 1 281.331 3.814 20 0 CHADMN CN(Cc1ccc(OCC(F)F)cc1)C1CC(F)(F)C1 ZINC001136933521 1131483877 /nfs/dbraw/zinc/48/38/77/1131483877.db2.gz QQGZBRJNKSXFSJ-UHFFFAOYSA-N 0 1 291.288 3.560 20 0 CHADMN FCCN1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000831510981 1131488107 /nfs/dbraw/zinc/48/81/07/1131488107.db2.gz KNJCVOGLZSSUOO-UHFFFAOYSA-N 0 1 273.754 3.656 20 0 CHADMN COc1ccc(CN2CCC[C@H](CF)C2)cc1Cl ZINC001138474886 1131510121 /nfs/dbraw/zinc/51/01/21/1131510121.db2.gz QSZUGYHDOVUKLM-GFCCVEGCSA-N 0 1 271.763 3.530 20 0 CHADMN CCN(Cc1cc(C)sc1C)Cc1cccnc1 ZINC001138568357 1131522190 /nfs/dbraw/zinc/52/21/90/1131522190.db2.gz ZKLWJUMEBDUAPX-UHFFFAOYSA-N 0 1 260.406 3.782 20 0 CHADMN Cc1c(F)cc(F)cc1CN(C)C1CC(F)(F)C1 ZINC001143757847 1131531412 /nfs/dbraw/zinc/53/14/12/1131531412.db2.gz OYJXGLUJGBAUBB-UHFFFAOYSA-N 0 1 261.262 3.503 20 0 CHADMN Brc1ccc(CN2CC3CCC(CC3)C2)o1 ZINC001138907434 1131558919 /nfs/dbraw/zinc/55/89/19/1131558919.db2.gz WMHYANWWUOKFGI-UHFFFAOYSA-N 0 1 284.197 3.664 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CCC(C)CC1 ZINC001139005997 1131571236 /nfs/dbraw/zinc/57/12/36/1131571236.db2.gz NDAIXONBAXFIRM-UHFFFAOYSA-N 0 1 267.800 3.971 20 0 CHADMN CC[N@@H+](Cc1sccc1C(=O)[O-])C1CCCCC1 ZINC001144665772 1131677303 /nfs/dbraw/zinc/67/73/03/1131677303.db2.gz UZFAQLJYFABYCK-UHFFFAOYSA-N 0 1 267.394 3.601 20 0 CHADMN CC[C@H](C)[N@@H+](C)Cc1sc(N2CCCC2)nc1Cl ZINC001140362435 1131706683 /nfs/dbraw/zinc/70/66/83/1131706683.db2.gz VSFTXTRNYICAFM-JTQLQIEISA-N 0 1 287.860 3.627 20 0 CHADMN CC[C@H](C)N(C)Cc1sc(N2CCCC2)nc1Cl ZINC001140362435 1131706685 /nfs/dbraw/zinc/70/66/85/1131706685.db2.gz VSFTXTRNYICAFM-JTQLQIEISA-N 0 1 287.860 3.627 20 0 CHADMN Fc1cc(CN(CC2CC2)C2CC2)c(F)cc1Cl ZINC001140704349 1131886612 /nfs/dbraw/zinc/88/66/12/1131886612.db2.gz MKJZVYFCBWQNOI-UHFFFAOYSA-N 0 1 271.738 3.993 20 0 CHADMN COc1cccc([C@H](C)N[C@@H](C)c2ccns2)c1 ZINC000715963449 1132000713 /nfs/dbraw/zinc/00/07/13/1132000713.db2.gz BEMKHXNGVRWMNA-QWRGUYRKSA-N 0 1 262.378 3.564 20 0 CHADMN COc1cc(Cl)ncc1CN1CCCCCCC1 ZINC001141341476 1132093847 /nfs/dbraw/zinc/09/38/47/1132093847.db2.gz CXIRJXAFUDXKPK-UHFFFAOYSA-N 0 1 268.788 3.510 20 0 CHADMN CN(C)Cc1cc(F)ccc1OC1CCC(F)(F)CC1 ZINC001229853065 1132124167 /nfs/dbraw/zinc/12/41/67/1132124167.db2.gz AXCOLAWQNDOJCE-UHFFFAOYSA-N 0 1 287.325 3.844 20 0 CHADMN C[C@H](Oc1nc[nH]c(=O)c1Cl)c1ccc(Cl)cc1 ZINC001230015276 1132145231 /nfs/dbraw/zinc/14/52/31/1132145231.db2.gz VDHSKPUERTXCEV-ZETCQYMHSA-N 0 1 285.130 3.629 20 0 CHADMN CC(C)[C@@H](C)Oc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC001231044648 1132247052 /nfs/dbraw/zinc/24/70/52/1132247052.db2.gz MVLLSXIGECFLKT-ZCFIWIBFSA-N 0 1 274.151 3.688 20 0 CHADMN C[C@H]1CCCCC[N@@H+]1Cc1ccc(Cl)c([O-])c1 ZINC001231738813 1132353669 /nfs/dbraw/zinc/35/36/69/1132353669.db2.gz TVUMRWYJCNHQOT-NSHDSACASA-N 0 1 253.773 3.810 20 0 CHADMN C[C@H]1CCCCC[N@H+]1Cc1ccc(Cl)c([O-])c1 ZINC001231738813 1132353673 /nfs/dbraw/zinc/35/36/73/1132353673.db2.gz TVUMRWYJCNHQOT-NSHDSACASA-N 0 1 253.773 3.810 20 0 CHADMN CC[C@H]1CCCN(Cc2ccnc(C(F)(F)F)c2)C1 ZINC001232240453 1132441956 /nfs/dbraw/zinc/44/19/56/1132441956.db2.gz IDORNIMHDRJGMV-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN CCSC[C@H](C)NCc1cc(-c2ccccc2)on1 ZINC001173292400 1132459838 /nfs/dbraw/zinc/45/98/38/1132459838.db2.gz XDNSZGDFZBBFTG-LBPRGKRZSA-N 0 1 276.405 3.573 20 0 CHADMN CCCN(CC)Cc1ccc(C(=O)OCC)cc1Cl ZINC001232592645 1132491839 /nfs/dbraw/zinc/49/18/39/1132491839.db2.gz VESAMAIVRPRSFN-UHFFFAOYSA-N 0 1 283.799 3.749 20 0 CHADMN CCCN(C)Cc1cc(F)c(Cl)cc1Cl ZINC001232697894 1132507823 /nfs/dbraw/zinc/50/78/23/1132507823.db2.gz FUYZQWOKJLUYNG-UHFFFAOYSA-N 0 1 250.144 3.974 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H](C)CC2)c(F)c1F ZINC001143268899 1132526347 /nfs/dbraw/zinc/52/63/47/1132526347.db2.gz IQNSSYQLIATJIL-GFCCVEGCSA-N 0 1 283.362 3.986 20 0 CHADMN CC[C@@H]1CCCN(Cc2ccc(F)c(OC)c2F)C1 ZINC001143322245 1132536147 /nfs/dbraw/zinc/53/61/47/1132536147.db2.gz WUQCIUHDAVCGOU-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2cc(O)cc(Br)c2)C1 ZINC001232998720 1132561140 /nfs/dbraw/zinc/56/11/40/1132561140.db2.gz FEGIRMPVTPPSJQ-PHIMTYICSA-N 0 1 298.224 3.633 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCCC[C@H]1CC ZINC001233021944 1132566121 /nfs/dbraw/zinc/56/61/21/1132566121.db2.gz WGGFFTFJLLHCFU-GFCCVEGCSA-N 0 1 281.421 3.689 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1cccc([O-])c1F ZINC001233053852 1132568440 /nfs/dbraw/zinc/56/84/40/1132568440.db2.gz UQBWDTLERRLWNG-CYBMUJFWSA-N 0 1 251.345 3.686 20 0 CHADMN Cc1ccc(Cl)cc1CN1CCC(F)(F)CC1 ZINC001233247543 1132586536 /nfs/dbraw/zinc/58/65/36/1132586536.db2.gz AOAWAXRXYREOCU-UHFFFAOYSA-N 0 1 259.727 3.880 20 0 CHADMN COc1ccc(CN(C)CC(C)(C)C)c(Cl)c1O ZINC001233400793 1132615761 /nfs/dbraw/zinc/61/57/61/1132615761.db2.gz YKEWQFAOUPLXCY-UHFFFAOYSA-N 0 1 271.788 3.532 20 0 CHADMN FC1CC(Nc2ccnc(C3(C(F)(F)F)CC3)c2)C1 ZINC001162213955 1133060490 /nfs/dbraw/zinc/06/04/90/1133060490.db2.gz JEPHHOIDDAQGDH-UHFFFAOYSA-N 0 1 274.261 3.588 20 0 CHADMN CCC(F)(F)CN[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001206689077 1133732488 /nfs/dbraw/zinc/73/24/88/1133732488.db2.gz MFJJKJJKBOZEHM-ZIAGYGMSSA-N 0 1 253.336 3.958 20 0 CHADMN CC/C=C\CCCCCCN1CC(N2CC[C@H](F)C2)C1 ZINC001209285800 1134001670 /nfs/dbraw/zinc/00/16/70/1134001670.db2.gz OKOHTZWZDFZNNL-QGZUEGPWSA-N 0 1 282.447 3.631 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(O)c2Br)[C@H](C)C1 ZINC000315816669 1135160977 /nfs/dbraw/zinc/16/09/77/1135160977.db2.gz JAPNBHTVPNXVAV-GHMZBOCLSA-N 0 1 298.224 3.775 20 0 CHADMN CC[C@@H](OC1CCN(CCF)CC1)c1ccccc1 ZINC001223706378 1135372499 /nfs/dbraw/zinc/37/24/99/1135372499.db2.gz BPIYLSIEWMATRV-MRXNPFEDSA-N 0 1 265.372 3.588 20 0 CHADMN CC[C@H](C)CO[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001224667697 1135467131 /nfs/dbraw/zinc/46/71/31/1135467131.db2.gz LDLRXQDOFKYLSW-XJKSGUPXSA-N 0 1 281.827 3.977 20 0 CHADMN Cc1cccc(NC(=O)Nc2ncc(Cl)cc2O)c1C ZINC001202691526 1125511253 /nfs/dbraw/zinc/51/12/53/1125511253.db2.gz KQLBOTWZUCYNGL-UHFFFAOYSA-N 0 1 291.738 3.701 20 0 CHADMN Cc1nc(C2(NC[C@@H](C)c3ccccc3)CCCC2)no1 ZINC000116877867 1125512576 /nfs/dbraw/zinc/51/25/76/1125512576.db2.gz LRSBFLPRTASGEI-CYBMUJFWSA-N 0 1 285.391 3.541 20 0 CHADMN Cc1cc(CSc2nc(C3CC3)n[nH]2)c2ccccc2n1 ZINC000117550267 1125517357 /nfs/dbraw/zinc/51/73/57/1125517357.db2.gz BBXPENFYEWJGAF-UHFFFAOYSA-N 0 1 296.399 3.831 20 0 CHADMN Cc1cc(CSc2n[nH]c(C3CC3)n2)c2ccccc2n1 ZINC000117550267 1125517363 /nfs/dbraw/zinc/51/73/63/1125517363.db2.gz BBXPENFYEWJGAF-UHFFFAOYSA-N 0 1 296.399 3.831 20 0 CHADMN Cc1nc2cc(Nc3cc(F)cnc3Cl)ccc2[nH]1 ZINC001213072160 1125523449 /nfs/dbraw/zinc/52/34/49/1125523449.db2.gz FSORGNZUSJRWDU-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1nc2ccc(Nc3cc(F)cnc3Cl)cc2[nH]1 ZINC001213072160 1125523456 /nfs/dbraw/zinc/52/34/56/1125523456.db2.gz FSORGNZUSJRWDU-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1Cc1nc([C@@H](C)OCC)no1 ZINC000135324659 1125523598 /nfs/dbraw/zinc/52/35/98/1125523598.db2.gz JVQJIVMOEUGTDZ-MGPQQGTHSA-N 0 1 295.427 3.568 20 0 CHADMN CC[C@H](N[C@H]1C[C@H]1C(F)F)c1ccc(F)cc1F ZINC000348312039 1125524204 /nfs/dbraw/zinc/52/42/04/1125524204.db2.gz UKKCDBQYQJYOQB-USWWRNFRSA-N 0 1 261.262 3.659 20 0 CHADMN CSC[C@@H]1CCCN1Cc1nc(C(C)(C)C)cs1 ZINC000135445159 1125525270 /nfs/dbraw/zinc/52/52/70/1125525270.db2.gz HTEQJFWKWXNAAE-NSHDSACASA-N 0 1 284.494 3.768 20 0 CHADMN C[C@@H](c1ccccc1)N1CCN([C@@H](C)c2cccnc2)CC1 ZINC000118835614 1125525944 /nfs/dbraw/zinc/52/59/44/1125525944.db2.gz RYLFAQWVOCUBEM-IRXDYDNUSA-N 0 1 295.430 3.521 20 0 CHADMN CC(C)(NCCCOc1ccc(F)cc1)c1nccs1 ZINC000118848169 1125526452 /nfs/dbraw/zinc/52/64/52/1125526452.db2.gz LVMZBWUUQLJNHT-UHFFFAOYSA-N 0 1 294.395 3.576 20 0 CHADMN CC(C)c1csc(CN[C@@H]2CCOC23CCCCC3)n1 ZINC000925282932 1125528090 /nfs/dbraw/zinc/52/80/90/1125528090.db2.gz LPVVMXRBVDVAIX-CQSZACIVSA-N 0 1 294.464 3.848 20 0 CHADMN CCc1nnc(CN[C@@H]2CCCC[C@@H]2Cc2ccccc2)o1 ZINC000119019692 1125528294 /nfs/dbraw/zinc/52/82/94/1125528294.db2.gz LPIJXBCAZOIRCS-HZPDHXFCSA-N 0 1 299.418 3.523 20 0 CHADMN CC[C@H](C)C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000120214849 1125542323 /nfs/dbraw/zinc/54/23/23/1125542323.db2.gz LMHJDBVOCUOFMT-KBPBESRZSA-N 0 1 299.418 3.623 20 0 CHADMN Cc1[nH]c2c(cc(C)cc2CNCc2ccoc2)c1C ZINC000729682009 1125545211 /nfs/dbraw/zinc/54/52/11/1125545211.db2.gz REHWEMNCXJPMKE-UHFFFAOYSA-N 0 1 268.360 3.976 20 0 CHADMN CCN1CCC[C@H](Oc2cc(C)c(Cl)cc2C(C)=O)C1 ZINC001229363243 1125545785 /nfs/dbraw/zinc/54/57/85/1125545785.db2.gz YQLPCSTXFWVBCE-ZDUSSCGKSA-N 0 1 295.810 3.714 20 0 CHADMN Oc1cccc(CN[C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000193693645 1125549104 /nfs/dbraw/zinc/54/91/04/1125549104.db2.gz GNFYXPXBBQZICJ-MRXNPFEDSA-N 0 1 287.334 3.535 20 0 CHADMN C[C@H](N[C@@H]1CCCOc2ccccc21)c1cccc(O)c1 ZINC000194876131 1125557512 /nfs/dbraw/zinc/55/75/12/1125557512.db2.gz KDTUBMGXZITSLX-SUMWQHHRSA-N 0 1 283.371 3.957 20 0 CHADMN CC/C=C(\C)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000195373318 1125561138 /nfs/dbraw/zinc/56/11/38/1125561138.db2.gz BLXARKDSMMWHJW-MSXUNZPYSA-N 0 1 297.402 3.891 20 0 CHADMN C[C@@H](c1ccncc1)N(C)Cc1ccc(F)c(F)c1 ZINC000195133345 1125561368 /nfs/dbraw/zinc/56/13/68/1125561368.db2.gz JWYHFCJMKWYNLR-NSHDSACASA-N 0 1 262.303 3.553 20 0 CHADMN C[C@@H]1CCCN1[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000245440788 1125570417 /nfs/dbraw/zinc/57/04/17/1125570417.db2.gz GSTLIVOEIIYBHH-CRAIPNDOSA-N 0 1 294.398 3.851 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2C[C@@H](C)CC[C@H]2C)c(C)c1 ZINC000245450765 1125574729 /nfs/dbraw/zinc/57/47/29/1125574729.db2.gz OXJNKWJCIUFWCE-BLLLJJGKSA-N 0 1 288.435 3.671 20 0 CHADMN CCN(Cc1cnc(N(C)C)s1)Cc1ccc(C)cc1 ZINC000536638623 1125578213 /nfs/dbraw/zinc/57/82/13/1125578213.db2.gz LYXZJIIHWKAYJW-UHFFFAOYSA-N 0 1 289.448 3.540 20 0 CHADMN C[C@@H]1CCN(Cc2cccn2C)[C@@H](c2ccco2)C1 ZINC000245686148 1125587454 /nfs/dbraw/zinc/58/74/54/1125587454.db2.gz APDJTAIWCNCBST-UKRRQHHQSA-N 0 1 258.365 3.591 20 0 CHADMN Cc1occc1C[N@@H+](C)CCOc1c(C)cccc1C ZINC000065607377 1125595254 /nfs/dbraw/zinc/59/52/54/1125595254.db2.gz BAQSBGSOFXUOKY-UHFFFAOYSA-N 0 1 273.376 3.716 20 0 CHADMN Cc1occc1CN(C)CCOc1c(C)cccc1C ZINC000065607377 1125595257 /nfs/dbraw/zinc/59/52/57/1125595257.db2.gz BAQSBGSOFXUOKY-UHFFFAOYSA-N 0 1 273.376 3.716 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)NOC1CCCC1)c1ccccc1 ZINC000135688704 1125595527 /nfs/dbraw/zinc/59/55/27/1125595527.db2.gz VNQDGCMHIKKTNS-CZUORRHYSA-N 0 1 275.392 3.807 20 0 CHADMN c1ccc2oc(CN3CCS[C@H]4CCCC[C@H]43)nc2c1 ZINC000246120783 1125604805 /nfs/dbraw/zinc/60/48/05/1125604805.db2.gz LHHIYAZGHQCSGF-HIFRSBDPSA-N 0 1 288.416 3.688 20 0 CHADMN COC(=O)[C@H](c1ccccc1)N1CCC2(C1)CCCCC2 ZINC000533428399 1125605797 /nfs/dbraw/zinc/60/57/97/1125605797.db2.gz NJWRWLIOWWNLLM-INIZCTEOSA-N 0 1 287.403 3.557 20 0 CHADMN COc1ccc(CN(C)c2ccncc2C(F)(F)F)cc1 ZINC001649169319 1125620263 /nfs/dbraw/zinc/62/02/63/1125620263.db2.gz KAAWLQOQYSLAAO-UHFFFAOYSA-N 0 1 296.292 3.745 20 0 CHADMN CC(C)[N@@H+](Cc1ncc(-c2cccs2)o1)C1CC1 ZINC000067376534 1125625544 /nfs/dbraw/zinc/62/55/44/1125625544.db2.gz PPSVZZXSEJLYIG-UHFFFAOYSA-N 0 1 262.378 3.776 20 0 CHADMN CC(C)N(Cc1ncc(-c2cccs2)o1)C1CC1 ZINC000067376534 1125625550 /nfs/dbraw/zinc/62/55/50/1125625550.db2.gz PPSVZZXSEJLYIG-UHFFFAOYSA-N 0 1 262.378 3.776 20 0 CHADMN CCCOCc1ccccc1CNCc1cc(C)co1 ZINC000885924128 1125627763 /nfs/dbraw/zinc/62/77/63/1125627763.db2.gz HVJPLLKQDQXDKP-UHFFFAOYSA-N 0 1 273.376 3.804 20 0 CHADMN Cc1coc(CNCc2ccc3[nH]c(C)c(C)c3c2)c1 ZINC000885943754 1125628947 /nfs/dbraw/zinc/62/89/47/1125628947.db2.gz BSXHPVLCZWIVPY-UHFFFAOYSA-N 0 1 268.360 3.976 20 0 CHADMN C[C@H](c1ccco1)N(C)CCSC(F)(F)F ZINC000885967330 1125631229 /nfs/dbraw/zinc/63/12/29/1125631229.db2.gz MDRGLLDJIMJODY-MRVPVSSYSA-N 0 1 253.289 3.525 20 0 CHADMN Cc1n[nH]c(CNCc2ccc(OC3CCCC3)cc2)c1C ZINC000885971264 1125631940 /nfs/dbraw/zinc/63/19/40/1125631940.db2.gz VSBDCVVRHRSGAP-UHFFFAOYSA-N 0 1 299.418 3.638 20 0 CHADMN C[C@H]1CCCN1[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000072875963 1125636054 /nfs/dbraw/zinc/63/60/54/1125636054.db2.gz GSTLIVOEIIYBHH-YJBOKZPZSA-N 0 1 294.398 3.851 20 0 CHADMN C[C@@H]1CN(Cc2cccc(OC(C)(C)C)n2)C[C@H](C)S1 ZINC000536641698 1125636591 /nfs/dbraw/zinc/63/65/91/1125636591.db2.gz DKLFZLXNGKAQBW-BETUJISGSA-N 0 1 294.464 3.585 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1Cc1nccn1C(F)F ZINC000072775913 1125636925 /nfs/dbraw/zinc/63/69/25/1125636925.db2.gz NKFLZRDRIKAISD-RYUDHWBXSA-N 0 1 271.355 3.679 20 0 CHADMN C[C@H]1CCC[C@H](N(C)Cc2nccn2Cc2ccccc2)C1 ZINC000073620135 1125638299 /nfs/dbraw/zinc/63/82/99/1125638299.db2.gz CIRNMTWZBOAGHH-WMZOPIPTSA-N 0 1 297.446 3.942 20 0 CHADMN Cc1[nH]nc(CNc2cccc(SC(F)F)c2)c1C ZINC000886035775 1125639150 /nfs/dbraw/zinc/63/91/50/1125639150.db2.gz QRDXQOGGHZPQGM-UHFFFAOYSA-N 0 1 283.347 3.953 20 0 CHADMN CC[C@H](C)CN1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000246461872 1125640193 /nfs/dbraw/zinc/64/01/93/1125640193.db2.gz MEHRJWSKAUAMTQ-OUCADQQQSA-N 0 1 253.411 3.556 20 0 CHADMN Cc1[nH]nc(CNc2ccc(F)cc2OC(C)C)c1C ZINC000886059401 1125642386 /nfs/dbraw/zinc/64/23/86/1125642386.db2.gz CLJKQBORFLVLLH-UHFFFAOYSA-N 0 1 277.343 3.565 20 0 CHADMN CC[C@@H](CC(F)(F)F)NCc1ccc(Cl)cn1 ZINC000886064823 1125643084 /nfs/dbraw/zinc/64/30/84/1125643084.db2.gz JGGJFQXXTVTDOR-VIFPVBQESA-N 0 1 266.694 3.556 20 0 CHADMN CCO[C@@H](CNCc1ccc(Cl)cn1)c1ccccc1 ZINC000886093590 1125646194 /nfs/dbraw/zinc/64/61/94/1125646194.db2.gz DBUYIFCTIJILJN-INIZCTEOSA-N 0 1 290.794 3.602 20 0 CHADMN COC[C@H](N[C@@H]1CC1(C)C)c1cccc(Cl)c1F ZINC000348370328 1125661627 /nfs/dbraw/zinc/66/16/27/1125661627.db2.gz FVFQVWRGBQVYJL-NWDGAFQWSA-N 0 1 271.763 3.555 20 0 CHADMN CO[C@@H]1CCC[C@@H](NCC(F)(F)C(C)(C)C)CC1 ZINC000886164623 1125657969 /nfs/dbraw/zinc/65/79/69/1125657969.db2.gz PYAUNWWYPGWIAR-VXGBXAGGSA-N 0 1 263.372 3.605 20 0 CHADMN C[C@@H](c1ccccc1)N1CCO[C@@H](c2cccs2)C1 ZINC000247653271 1125659469 /nfs/dbraw/zinc/65/94/69/1125659469.db2.gz WRXOSZDDNWDNGW-DZGCQCFKSA-N 0 1 273.401 3.883 20 0 CHADMN Cc1[nH]nc(CNc2cccc(F)c2C(C)(F)F)c1C ZINC000886181134 1125660108 /nfs/dbraw/zinc/66/01/08/1125660108.db2.gz FQHAZCINJAYPKA-UHFFFAOYSA-N 0 1 283.297 3.889 20 0 CHADMN Cc1nnc([C@@H](C)N2CCCC3(C2)CCCCCC3)o1 ZINC000075968388 1125661741 /nfs/dbraw/zinc/66/17/41/1125661741.db2.gz GORBOSZCXXEGNE-CYBMUJFWSA-N 0 1 277.412 3.875 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1CCC(C)(C)C1 ZINC000076014454 1125664211 /nfs/dbraw/zinc/66/42/11/1125664211.db2.gz KJAJEXOUDDCEGO-UHFFFAOYSA-N 0 1 276.405 3.943 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N(C)C[C@H]1CCCO1 ZINC000248543676 1125666886 /nfs/dbraw/zinc/66/68/86/1125666886.db2.gz DDSIYQGDDQISAS-GHMZBOCLSA-N 0 1 271.763 3.651 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1cccc(OC(F)F)c1 ZINC001212054189 1125671674 /nfs/dbraw/zinc/67/16/74/1125671674.db2.gz RARSPAYCFBIDJH-UHFFFAOYSA-N 0 1 289.285 3.518 20 0 CHADMN Cc1ccncc1CNC(C)(C)c1ccc(F)cc1F ZINC000886350323 1125672363 /nfs/dbraw/zinc/67/23/63/1125672363.db2.gz QSBBQVHCRJSLGJ-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN CC(C)(C)n1cc(CN[C@H]2CCc3c2cccc3F)cn1 ZINC000886362613 1125672917 /nfs/dbraw/zinc/67/29/17/1125672917.db2.gz FUWITOJGQYDUNX-INIZCTEOSA-N 0 1 287.382 3.554 20 0 CHADMN CC(C)c1noc(CN[C@H](Cc2ccccc2)C(C)C)n1 ZINC000886423436 1125678436 /nfs/dbraw/zinc/67/84/36/1125678436.db2.gz BIWUBQKQEAKWQT-OAHLLOKOSA-N 0 1 287.407 3.550 20 0 CHADMN Cc1oncc1CN1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000249398645 1125679842 /nfs/dbraw/zinc/67/98/42/1125679842.db2.gz UGJCNBQNSANFJJ-BZNIZROVSA-N 0 1 274.339 3.705 20 0 CHADMN CCCOCc1ccccc1CN[C@@H]1CCc2cccnc21 ZINC000886506100 1125681134 /nfs/dbraw/zinc/68/11/34/1125681134.db2.gz BRVUNIYZXYEEKV-GOSISDBHSA-N 0 1 296.414 3.785 20 0 CHADMN Cc1[nH]c2ccc(CN[C@H]3CCc4cccnc43)cc2c1C ZINC000886512624 1125682531 /nfs/dbraw/zinc/68/25/31/1125682531.db2.gz JQMNDUSSEXHPMR-SFHVURJKSA-N 0 1 291.398 3.957 20 0 CHADMN Clc1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2cccnc21 ZINC000886516631 1125682706 /nfs/dbraw/zinc/68/27/06/1125682706.db2.gz RCCCJIUEFKSNNC-HZPDHXFCSA-N 0 1 284.790 3.999 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000629376860 1125689867 /nfs/dbraw/zinc/68/98/67/1125689867.db2.gz JYZSAAKASFKWAX-XUWVNRHRSA-N 0 1 281.440 3.778 20 0 CHADMN C[C@H](C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21)C1CCCCC1 ZINC000629376656 1125690192 /nfs/dbraw/zinc/69/01/92/1125690192.db2.gz JKFPFYBGKFSXOF-MXASKKJJSA-N 0 1 293.451 3.778 20 0 CHADMN c1ccc(C2(N[C@H]3CCc4cccnc43)CCC2)cc1 ZINC000886568413 1125692030 /nfs/dbraw/zinc/69/20/30/1125692030.db2.gz JQFAHFLGEHZOJM-INIZCTEOSA-N 0 1 264.372 3.738 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3cccnc32)ccc1Cl ZINC000886589820 1125694030 /nfs/dbraw/zinc/69/40/30/1125694030.db2.gz GTKQYCDOEGHELP-OAHLLOKOSA-N 0 1 272.779 3.821 20 0 CHADMN CCCOc1ccc(CN[C@H]2CCc3cccnc32)c(C)c1 ZINC000886599452 1125695142 /nfs/dbraw/zinc/69/51/42/1125695142.db2.gz ZGLBAMSQEYPNCS-SFHVURJKSA-N 0 1 296.414 3.956 20 0 CHADMN CC(F)(F)c1ccc(CN[C@@H]2CCc3cccnc32)cc1 ZINC000886614493 1125698684 /nfs/dbraw/zinc/69/86/84/1125698684.db2.gz YPHOSKCLEWUQFQ-OAHLLOKOSA-N 0 1 288.341 3.970 20 0 CHADMN C[C@@H](NCc1cscc1Cl)c1cccc(CO)c1 ZINC000886656690 1125703500 /nfs/dbraw/zinc/70/35/00/1125703500.db2.gz OOOINTUFHRPMRL-SNVBAGLBSA-N 0 1 281.808 3.745 20 0 CHADMN Clc1cccc(CN2CCC[C@@H](c3ncccn3)C2)c1 ZINC000886674356 1125705693 /nfs/dbraw/zinc/70/56/93/1125705693.db2.gz KEMXEHJSWOVKHX-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN Clc1ccc(CN2CCC[C@H](c3ncccn3)C2)s1 ZINC000886676922 1125707774 /nfs/dbraw/zinc/70/77/74/1125707774.db2.gz NYQJICSJKBCTIG-NSHDSACASA-N 0 1 293.823 3.571 20 0 CHADMN C[C@H](NCC(=O)Nc1ccccc1)c1cc2ccccc2o1 ZINC000161864011 1125715258 /nfs/dbraw/zinc/71/52/58/1125715258.db2.gz HKKGOZTZNFUACM-ZDUSSCGKSA-N 0 1 294.354 3.722 20 0 CHADMN CC(C)OC(=O)C1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC000886722192 1125713644 /nfs/dbraw/zinc/71/36/44/1125713644.db2.gz XYRZSEIOHPHPNO-CYBMUJFWSA-N 0 1 293.382 3.550 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1ccnc(Cl)c1 ZINC000886925329 1125725738 /nfs/dbraw/zinc/72/57/38/1125725738.db2.gz QWWRVRWGQDSPQZ-CQSZACIVSA-N 0 1 276.742 3.651 20 0 CHADMN OC1(C[C@@H]2CCCCN2Cc2nccs2)CCCCC1 ZINC000887034880 1125730939 /nfs/dbraw/zinc/73/09/39/1125730939.db2.gz BBKULINCJRCPBS-AWEZNQCLSA-N 0 1 294.464 3.583 20 0 CHADMN C[C@H](NCc1cccc(OCC(F)F)c1)c1ccco1 ZINC000089543564 1125735338 /nfs/dbraw/zinc/73/53/38/1125735338.db2.gz DSSAFMWXKKFFSR-NSHDSACASA-N 0 1 281.302 3.774 20 0 CHADMN CC[C@@H](CN[C@H](C)c1nccs1)Oc1ccccc1C ZINC000090218904 1125741521 /nfs/dbraw/zinc/74/15/21/1125741521.db2.gz NMTXOEPGHAIGGS-KGLIPLIRSA-N 0 1 290.432 3.960 20 0 CHADMN COc1ccccc1[C@@H](N[C@@H](C)C1CC1)c1ccco1 ZINC000090534626 1125742998 /nfs/dbraw/zinc/74/29/98/1125742998.db2.gz MGDPRVPMYBUHLZ-YVEFUNNKSA-N 0 1 271.360 3.766 20 0 CHADMN CC(C)C1CCN(Cc2cnccc2Cl)CC1 ZINC001137237588 1125748358 /nfs/dbraw/zinc/74/83/58/1125748358.db2.gz FRIZNHZLURYJKT-UHFFFAOYSA-N 0 1 252.789 3.603 20 0 CHADMN Fc1cccc([C@H]2CCN(Cc3cnccc3Cl)C2)c1 ZINC001137237938 1125754600 /nfs/dbraw/zinc/75/46/00/1125754600.db2.gz LTVUOHATCGJVAD-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN C[C@H](c1ccccn1)N1Cc2ccccc2OC2(CCC2)C1 ZINC000887149543 1125755408 /nfs/dbraw/zinc/75/54/08/1125755408.db2.gz AIRBPLIZCCFSBE-OAHLLOKOSA-N 0 1 294.398 3.960 20 0 CHADMN C[C@@H](c1cccnc1)N1Cc2ccccc2OC2(CCC2)C1 ZINC000887151225 1125755867 /nfs/dbraw/zinc/75/58/67/1125755867.db2.gz OQPRSXOCHQTRMG-HNNXBMFYSA-N 0 1 294.398 3.960 20 0 CHADMN CC[C@@H]1C[C@H](Nc2ccc(Cl)c(CN(C)C)c2)CCO1 ZINC000648566865 1125758512 /nfs/dbraw/zinc/75/85/12/1125758512.db2.gz JQKKLNZRHHDYHO-HUUCEWRRSA-N 0 1 296.842 3.771 20 0 CHADMN CC[C@@H]1C[C@@H](Nc2ccc(Cl)c(CN(C)C)c2)CCO1 ZINC000648566866 1125758616 /nfs/dbraw/zinc/75/86/16/1125758616.db2.gz JQKKLNZRHHDYHO-LSDHHAIUSA-N 0 1 296.842 3.771 20 0 CHADMN CC(C)[C@@H](CN[C@H](C)c1nccs1)Nc1ccccc1 ZINC000093406014 1125768273 /nfs/dbraw/zinc/76/82/73/1125768273.db2.gz BSDBIRARNDQDCH-UKRRQHHQSA-N 0 1 289.448 3.930 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@H]1CCCc2ccc(F)cc21 ZINC000655764141 1125764623 /nfs/dbraw/zinc/76/46/23/1125764623.db2.gz DBYWTOYRNRIUNC-SJCJKPOMSA-N 0 1 285.366 3.652 20 0 CHADMN CC(C)[C@H](CN[C@@H](C)c1nccs1)Nc1ccccc1 ZINC000093406013 1125769373 /nfs/dbraw/zinc/76/93/73/1125769373.db2.gz BSDBIRARNDQDCH-ZFWWWQNUSA-N 0 1 289.448 3.930 20 0 CHADMN CCn1cc(CN2CCCCC[C@H]2c2ccco2)cn1 ZINC000093441639 1125769633 /nfs/dbraw/zinc/76/96/33/1125769633.db2.gz OXKNDEQJHVXJBP-HNNXBMFYSA-N 0 1 273.380 3.613 20 0 CHADMN C[C@H](N[C@@H]1CCC1(C)C)c1ncc(Br)s1 ZINC000287136786 1125769646 /nfs/dbraw/zinc/76/96/46/1125769646.db2.gz RZLPFWAISAZVJR-JGVFFNPUSA-N 0 1 289.242 3.745 20 0 CHADMN CCc1ccc([C@H]2C[C@H](C)CCN2Cc2cnc[nH]2)o1 ZINC000093871155 1125773816 /nfs/dbraw/zinc/77/38/16/1125773816.db2.gz KBIOZOSZTSRWKS-IUODEOHRSA-N 0 1 273.380 3.538 20 0 CHADMN CCc1ccc([C@@H]2C[C@@H](C)CCN2Cc2cnc[nH]2)o1 ZINC000093871156 1125774449 /nfs/dbraw/zinc/77/44/49/1125774449.db2.gz KBIOZOSZTSRWKS-WFASDCNBSA-N 0 1 273.380 3.538 20 0 CHADMN COCc1ccc(CN(C)[C@@H](C)c2ccc(F)cc2)o1 ZINC000122173897 1125784064 /nfs/dbraw/zinc/78/40/64/1125784064.db2.gz SMIRVWWWTMJFHL-LBPRGKRZSA-N 0 1 277.339 3.758 20 0 CHADMN c1cncc(CN[C@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000121757172 1125778885 /nfs/dbraw/zinc/77/88/85/1125778885.db2.gz YTGDSBJAFMVRNA-SFHVURJKSA-N 0 1 294.398 3.574 20 0 CHADMN COCc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)o1 ZINC000122173897 1125784053 /nfs/dbraw/zinc/78/40/53/1125784053.db2.gz SMIRVWWWTMJFHL-LBPRGKRZSA-N 0 1 277.339 3.758 20 0 CHADMN CCc1nc([C@H](C)NCCc2ccccc2F)cs1 ZINC000122640730 1125789431 /nfs/dbraw/zinc/78/94/31/1125789431.db2.gz NGEOXHZXZLTFOU-NSHDSACASA-N 0 1 278.396 3.738 20 0 CHADMN Cc1ncc([C@H](C)N2CCS[C@H]3CCCC[C@@H]32)c(C)n1 ZINC000638120430 1129245110 /nfs/dbraw/zinc/24/51/10/1129245110.db2.gz GDMONLNCOFTDSZ-RCBQFDQVSA-N 0 1 291.464 3.514 20 0 CHADMN COC[C@H](N[C@@H](C)c1ccnc(Cl)c1)c1ccccc1 ZINC000089668616 1129245663 /nfs/dbraw/zinc/24/56/63/1129245663.db2.gz LTPGYYSYWPTMHB-WFASDCNBSA-N 0 1 290.794 3.773 20 0 CHADMN CC1=C(C)C[C@H]([C@@H](C)N[C@@H](C)c2csnn2)CC1 ZINC000639266983 1129297681 /nfs/dbraw/zinc/29/76/81/1129297681.db2.gz VEUUDRQCDVEWJR-FRRDWIJNSA-N 0 1 265.426 3.714 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1C2CCC1CC2 ZINC001238698592 1131234349 /nfs/dbraw/zinc/23/43/49/1131234349.db2.gz JFJCOFTUCGAOBX-UHFFFAOYSA-N 0 1 263.356 3.740 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN(C)CCOC(C)(C)C)o1 ZINC000621729925 1129188013 /nfs/dbraw/zinc/18/80/13/1129188013.db2.gz GTKGGCUPIOJDKP-OCCSQVGLSA-N 0 1 265.397 3.650 20 0 CHADMN c1cc(CC2CN(Cc3cc4cnccc4o3)C2)cs1 ZINC000621741153 1129189306 /nfs/dbraw/zinc/18/93/06/1129189306.db2.gz DPHPGXLONSVJGV-UHFFFAOYSA-N 0 1 284.384 3.564 20 0 CHADMN CC[C@H](CC1CCCC1)c1nc([C@@H]2CCCN2)no1 ZINC000647149613 1129552638 /nfs/dbraw/zinc/55/26/38/1129552638.db2.gz OFURLVBXYPIHLO-OLZOCXBDSA-N 0 1 263.385 3.568 20 0 CHADMN Cc1nc(C)c(CN[C@H](c2cccs2)C2CC2)o1 ZINC000385709907 1129652728 /nfs/dbraw/zinc/65/27/28/1129652728.db2.gz HGXODZSOPYNPTF-AWEZNQCLSA-N 0 1 262.378 3.594 20 0 CHADMN C[C@@H](c1ccco1)c1noc([C@H](C)N2[C@@H](C)CC[C@@H]2C)n1 ZINC000621795202 1129196356 /nfs/dbraw/zinc/19/63/56/1129196356.db2.gz DESPBEOTMLLNTF-CYDGBPFRSA-N 0 1 289.379 3.748 20 0 CHADMN c1cc(CN2CC(Cc3ccsc3)C2)n(C2CC2)c1 ZINC001118757847 1131236159 /nfs/dbraw/zinc/23/61/59/1131236159.db2.gz RAQHUIUMGUHCSQ-UHFFFAOYSA-N 0 1 272.417 3.559 20 0 CHADMN CC[C@@H]1CCCCN1Cc1occc1Br ZINC000768138545 1129836919 /nfs/dbraw/zinc/83/69/19/1129836919.db2.gz OQIPAIHNNFXCAP-SNVBAGLBSA-N 0 1 272.186 3.807 20 0 CHADMN CC[C@]1(C)CCCN(Cc2ccc(Cl)nc2)C1 ZINC000743860923 1129878796 /nfs/dbraw/zinc/87/87/96/1129878796.db2.gz ZRVGIAMKRXYZEI-CQSZACIVSA-N 0 1 252.789 3.747 20 0 CHADMN CCCC1CCC(C[N@@H+](CCC(=O)[O-])CC2CC2)CC1 ZINC000901610093 1129939714 /nfs/dbraw/zinc/93/97/14/1129939714.db2.gz JKFMMMFPBTVVBF-UHFFFAOYSA-N 0 1 281.440 3.780 20 0 CHADMN CC(C)C1CCC(C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)CC1 ZINC000901994100 1129970275 /nfs/dbraw/zinc/97/02/75/1129970275.db2.gz VXIOARKWRVSZNM-WLYUNCDWSA-N 0 1 281.440 3.634 20 0 CHADMN CC(C)N(Cc1ccco1)C[C@H]1CC1(Cl)Cl ZINC000746651841 1130134196 /nfs/dbraw/zinc/13/41/96/1130134196.db2.gz WUFCFJKNZFQCPU-SNVBAGLBSA-N 0 1 262.180 3.684 20 0 CHADMN CC(C)[C@H](NCC(F)(F)c1ccccc1)C1CC1 ZINC000323960777 1129208203 /nfs/dbraw/zinc/20/82/03/1129208203.db2.gz GNWVTDNQLLLRRV-AWEZNQCLSA-N 0 1 253.336 3.803 20 0 CHADMN CC(C)CSCCN[C@@H]1COCc2cccc(Cl)c21 ZINC000788684439 1130199741 /nfs/dbraw/zinc/19/97/41/1130199741.db2.gz DJERUKHEJFMXOW-CQSZACIVSA-N 0 1 299.867 3.890 20 0 CHADMN Clc1cc(CN[C@@H]2CO[C@@H](C3CC3)C2)c(Cl)s1 ZINC000667921304 1126704767 /nfs/dbraw/zinc/70/47/67/1126704767.db2.gz AWAQSTISUFBUEU-VHSXEESVSA-N 0 1 292.231 3.712 20 0 CHADMN CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cccc(Cl)c1O ZINC000481666455 1126704796 /nfs/dbraw/zinc/70/47/96/1126704796.db2.gz ISMBEILZPKXWFD-XPTSAGLGSA-N 0 1 267.756 3.666 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccncc1F)c1ccc(F)cc1 ZINC000338008621 1126709119 /nfs/dbraw/zinc/70/91/19/1126709119.db2.gz QWHIJNAJONEONM-MNOVXSKESA-N 0 1 262.303 3.772 20 0 CHADMN Cc1cccc([C@@H](C)N[C@H](C)c2ccncc2F)c1 ZINC000338013659 1126710924 /nfs/dbraw/zinc/71/09/24/1126710924.db2.gz FMTFZTHOUOGHJJ-CHWSQXEVSA-N 0 1 258.340 3.941 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1nccs1 ZINC000135089416 1126711955 /nfs/dbraw/zinc/71/19/55/1126711955.db2.gz XQPBUUSKANMURQ-NSHDSACASA-N 0 1 280.824 3.860 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@H](C)c1ccncc1F ZINC000338024560 1126712650 /nfs/dbraw/zinc/71/26/50/1126712650.db2.gz UJAJZNDSOIRBII-BZNIZROVSA-N 0 1 286.350 3.567 20 0 CHADMN C[C@H](NC[C@H](O)c1ccsc1)c1ccc(F)cc1Cl ZINC000223915012 1126718836 /nfs/dbraw/zinc/71/88/36/1126718836.db2.gz QLWQQACRIOXRJA-XPTSAGLGSA-N 0 1 299.798 3.925 20 0 CHADMN c1cc(-c2noc([C@@H]3NCC[C@H]4CCCC[C@H]43)n2)cs1 ZINC000899993690 1126720904 /nfs/dbraw/zinc/72/09/04/1126720904.db2.gz LPQIQVMNRQDARQ-RAIGVLPGSA-N 0 1 289.404 3.639 20 0 CHADMN c1ccc(-c2noc([C@@H]3NCC[C@@H]4CCCC[C@H]34)n2)cc1 ZINC000899993198 1126721504 /nfs/dbraw/zinc/72/15/04/1126721504.db2.gz DDRGECASPXXPNP-AEGPPILISA-N 0 1 283.375 3.577 20 0 CHADMN CCc1nc([C@@H](C)SCc2cccc3cccnc32)n[nH]1 ZINC000600588350 1126721755 /nfs/dbraw/zinc/72/17/55/1126721755.db2.gz CGVBMMCSDMKGBI-LLVKDONJSA-N 0 1 298.415 3.910 20 0 CHADMN Cc1cc(-c2noc(-c3cc(-c4ccoc4)n[nH]3)n2)c(C)o1 ZINC000556018406 1126723564 /nfs/dbraw/zinc/72/35/64/1126723564.db2.gz LELNHISAOKGUSM-UHFFFAOYSA-N 0 1 296.286 3.597 20 0 CHADMN C1CCC(c2noc([C@@H]3NCC[C@H]4CCCC[C@@H]43)n2)C1 ZINC000899997803 1126722112 /nfs/dbraw/zinc/72/21/12/1126722112.db2.gz ISFWOBPQVNKLTL-KWCYVHTRSA-N 0 1 275.396 3.568 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000338206593 1126723700 /nfs/dbraw/zinc/72/37/00/1126723700.db2.gz MFTMXYUHPQKMRM-ZIAGYGMSSA-N 0 1 285.391 3.920 20 0 CHADMN Fc1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(F)c1 ZINC000556023973 1126725216 /nfs/dbraw/zinc/72/52/16/1126725216.db2.gz QMFAWKHCDQRELZ-UHFFFAOYSA-N 0 1 299.202 3.922 20 0 CHADMN Cc1ccc2nc(CN[C@H]3CCc4c3cccc4F)[nH]c2c1 ZINC000338235287 1126726272 /nfs/dbraw/zinc/72/62/72/1126726272.db2.gz ZLLJMOOHVNBWIO-HNNXBMFYSA-N 0 1 295.361 3.788 20 0 CHADMN CCC(CC)CN(CC)[C@@H](C)c1nnc(C)s1 ZINC000338264396 1126728373 /nfs/dbraw/zinc/72/83/73/1126728373.db2.gz OELPWHMEPXLVQF-JTQLQIEISA-N 0 1 255.431 3.666 20 0 CHADMN COc1cccc(Cl)c1CN(C[C@@H](C)OC)C(C)C ZINC000338311485 1126733234 /nfs/dbraw/zinc/73/32/34/1126733234.db2.gz DVWNSHBHLLMKHJ-GFCCVEGCSA-N 0 1 285.815 3.594 20 0 CHADMN C[C@@H](C1CCCCC1)N(C)Cc1ncc(C2CC2)o1 ZINC000338345880 1126736099 /nfs/dbraw/zinc/73/60/99/1126736099.db2.gz SNRUSDZPBXOHKZ-LBPRGKRZSA-N 0 1 262.397 3.953 20 0 CHADMN CCN(CCO[C@@H]1CC1(F)F)Cc1ccc(Cl)s1 ZINC000659816162 1126736167 /nfs/dbraw/zinc/73/61/67/1126736167.db2.gz ALFDFUCVMKTALG-SNVBAGLBSA-N 0 1 295.782 3.648 20 0 CHADMN COc1cccc(Cl)c1CN1CCS[C@@H](C)CC1 ZINC000338349089 1126737283 /nfs/dbraw/zinc/73/72/83/1126737283.db2.gz QGDKRYAHPZDQDL-NSHDSACASA-N 0 1 285.840 3.676 20 0 CHADMN CO[C@@H]1CCN(CCCc2c(Cl)cccc2Cl)C1 ZINC000482152663 1126742699 /nfs/dbraw/zinc/74/26/99/1126742699.db2.gz RUWKOTQRAQPGQB-LLVKDONJSA-N 0 1 288.218 3.647 20 0 CHADMN CC[C@@](C)(NCc1ccc(C)cc1)c1nccs1 ZINC000152613392 1126757278 /nfs/dbraw/zinc/75/72/78/1126757278.db2.gz CKESAIHCUZBLBS-OAHLLOKOSA-N 0 1 260.406 3.867 20 0 CHADMN C=Cn1cc(CN[C@@H](C)c2ccc(OC(C)C)cc2)cn1 ZINC000194345339 1126759393 /nfs/dbraw/zinc/75/93/93/1126759393.db2.gz AQEXJVLRMNQBTA-AWEZNQCLSA-N 0 1 285.391 3.622 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000429565273 1126761134 /nfs/dbraw/zinc/76/11/34/1126761134.db2.gz RINBJGLTXILMCG-JQWIXIFHSA-N 0 1 298.789 3.538 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(OC3CC3)c2F)CCS1 ZINC000668061600 1126762850 /nfs/dbraw/zinc/76/28/50/1126762850.db2.gz LPGUKJFUTDEZNU-GFCCVEGCSA-N 0 1 295.423 3.694 20 0 CHADMN CC[C@@]1(C)COCCN1Cc1cccc(-c2ccccn2)c1 ZINC000482522372 1126763961 /nfs/dbraw/zinc/76/39/61/1126763961.db2.gz IPUWDUWDPJUJIQ-IBGZPJMESA-N 0 1 296.414 3.750 20 0 CHADMN Cc1cccc2c1CN(Cc1c(C3CCC3)cnn1C)CC2 ZINC000668063270 1126764210 /nfs/dbraw/zinc/76/42/10/1126764210.db2.gz IQMXPIIYWRVOIK-UHFFFAOYSA-N 0 1 295.430 3.554 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N(CC)Cc1nnc(C)o1 ZINC000173991001 1126765380 /nfs/dbraw/zinc/76/53/80/1126765380.db2.gz UVXQGUZGPWBNAZ-INIZCTEOSA-N 0 1 287.407 3.530 20 0 CHADMN CC[C@](C)(NCc1cccc(OC)c1)c1nc(C)cs1 ZINC000174498172 1126771127 /nfs/dbraw/zinc/77/11/27/1126771127.db2.gz GFBYFWCGPCJJLA-INIZCTEOSA-N 0 1 290.432 3.875 20 0 CHADMN CC/C=C/CCN[C@H](CO)c1c(Cl)cccc1Cl ZINC000483237413 1126773699 /nfs/dbraw/zinc/77/36/99/1126773699.db2.gz VSULBOAHZRZVSY-ITDFMYJTSA-N 0 1 288.218 3.973 20 0 CHADMN CCN(C)c1ccc(CN2C[C@@H](C)[C@H]2c2ccccc2)cn1 ZINC000483286886 1126778539 /nfs/dbraw/zinc/77/85/39/1126778539.db2.gz QCSPWXDCPKCRTG-BEFAXECRSA-N 0 1 295.430 3.731 20 0 CHADMN Cc1ccccc1-c1nc(CNC[C@H]2CCC[C@H](C)C2)no1 ZINC000483305667 1126779510 /nfs/dbraw/zinc/77/95/10/1126779510.db2.gz CJTPSYJJCMVDMA-ZFWWWQNUSA-N 0 1 299.418 3.961 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC(C)=C(C)C2)c1 ZINC000483373655 1126783498 /nfs/dbraw/zinc/78/34/98/1126783498.db2.gz XYJLDHURFYTGEP-INIZCTEOSA-N 0 1 286.419 3.673 20 0 CHADMN Cc1cccnc1CNCc1ccc(F)c(C(F)(F)F)c1 ZINC000162591583 1126782200 /nfs/dbraw/zinc/78/22/00/1126782200.db2.gz CRPHCOFHUMFHHQ-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Cc1ccncc1CNCc1cc(F)cc(C(F)(F)F)c1 ZINC000162626845 1126783003 /nfs/dbraw/zinc/78/30/03/1126783003.db2.gz NKFVVHNXCKDMRX-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN CC[C@@H](C)Oc1cc(C)ccc1CNCc1cc[nH]c1 ZINC000176282362 1126789085 /nfs/dbraw/zinc/78/90/85/1126789085.db2.gz IBPFQEZSUDHQBS-CQSZACIVSA-N 0 1 272.392 3.790 20 0 CHADMN CC[C@@H](C)CO[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001224668819 1126790455 /nfs/dbraw/zinc/79/04/55/1126790455.db2.gz XOUZGALCQIXJPG-UKRRQHHQSA-N 0 1 281.827 3.977 20 0 CHADMN C[C@H](Sc1c[nH]nn1)c1ccc(OC(F)(F)F)cc1 ZINC000177382560 1126801001 /nfs/dbraw/zinc/80/10/01/1126801001.db2.gz XEXUMZFIEDUYLW-ZETCQYMHSA-N 0 1 289.282 3.557 20 0 CHADMN C[C@@H](Sc1nc(C2CC2)n[nH]1)c1ncc(C(C)(C)C)o1 ZINC000177230538 1126799096 /nfs/dbraw/zinc/79/90/96/1126799096.db2.gz PJRLEAZCVSKQNI-MRVPVSSYSA-N 0 1 292.408 3.821 20 0 CHADMN C[C@@H](Sc1n[nH]c(C2CC2)n1)c1ncc(C(C)(C)C)o1 ZINC000177230538 1126799099 /nfs/dbraw/zinc/79/90/99/1126799099.db2.gz PJRLEAZCVSKQNI-MRVPVSSYSA-N 0 1 292.408 3.821 20 0 CHADMN O=C([O-])c1cccc2c1CC[N@@H+](CCCC1CCCC1)C2 ZINC000568287965 1126800090 /nfs/dbraw/zinc/80/00/90/1126800090.db2.gz QFHUHALSENKMMC-UHFFFAOYSA-N 0 1 287.403 3.713 20 0 CHADMN Cc1ccc2[nH]c(CN[C@@H]3CCc4cc(F)ccc43)nc2c1 ZINC000483859420 1126803398 /nfs/dbraw/zinc/80/33/98/1126803398.db2.gz MDBJXHRRZPAWHZ-OAHLLOKOSA-N 0 1 295.361 3.788 20 0 CHADMN Cc1ccc2nc(CN[C@@H]3CCc4cc(F)ccc43)[nH]c2c1 ZINC000483859420 1126803403 /nfs/dbraw/zinc/80/34/03/1126803403.db2.gz MDBJXHRRZPAWHZ-OAHLLOKOSA-N 0 1 295.361 3.788 20 0 CHADMN CC[C@@H](NCc1cn2ccsc2n1)c1ccc(C)cc1 ZINC000177758901 1126804598 /nfs/dbraw/zinc/80/45/98/1126804598.db2.gz WUOFFYOXRZFXGU-OAHLLOKOSA-N 0 1 285.416 3.945 20 0 CHADMN Cc1ncc(CN2C[C@H](C)[C@@H]2c2ccccc2)s1 ZINC000177826852 1126805384 /nfs/dbraw/zinc/80/53/84/1126805384.db2.gz HPWPEFCWLCOLDQ-XHDPSFHLSA-N 0 1 258.390 3.645 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnn(C)c1C)c1cc(F)ccc1F ZINC000177958983 1126807579 /nfs/dbraw/zinc/80/75/79/1126807579.db2.gz QPJQDVYENQOXNU-QFYYESIMSA-N 0 1 293.361 3.809 20 0 CHADMN Cc1c([C@H](C)N[C@H](C)c2ccc3ccccc3n2)cnn1C ZINC000177963824 1126807883 /nfs/dbraw/zinc/80/78/83/1126807883.db2.gz XURJKOUCZZQADL-QWHCGFSZSA-N 0 1 294.402 3.689 20 0 CHADMN Cc1nc(C)c(CN2C[C@H](C(F)(F)F)CC[C@@H]2C)s1 ZINC000679543196 1130538038 /nfs/dbraw/zinc/53/80/38/1130538038.db2.gz UKMLAUOAMHCBEC-GZMMTYOYSA-N 0 1 292.370 3.923 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc([S@](C)=O)cc2)o1 ZINC000178301965 1126811404 /nfs/dbraw/zinc/81/14/04/1126811404.db2.gz IIKUCQVNZGKKIO-QAJFTPDKSA-N 0 1 291.416 3.737 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NCc1oc2ccccc2c1C ZINC000178284019 1126811601 /nfs/dbraw/zinc/81/16/01/1126811601.db2.gz VFPYGNBAOLCMRF-LBPRGKRZSA-N 0 1 283.375 3.634 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccc(NC(C)=O)cc2)o1 ZINC000178487235 1126814485 /nfs/dbraw/zinc/81/44/85/1126814485.db2.gz WKDPJCLSKWCJLE-GFCCVEGCSA-N 0 1 286.375 3.651 20 0 CHADMN C[C@@H](NCCOc1cccc(F)c1)c1cccnc1Cl ZINC000178473442 1126814702 /nfs/dbraw/zinc/81/47/02/1126814702.db2.gz QCYGPLBZMHRZRA-LLVKDONJSA-N 0 1 294.757 3.604 20 0 CHADMN CN1CCCC[C@H]1CO[C@H](c1ccccc1)C(F)(F)F ZINC001224702932 1126815041 /nfs/dbraw/zinc/81/50/41/1126815041.db2.gz PGYOJMLPLMXWIB-UONOGXRCSA-N 0 1 287.325 3.791 20 0 CHADMN Cc1cncc(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000484358401 1126815150 /nfs/dbraw/zinc/81/51/50/1126815150.db2.gz RSIFZLADPJTCDM-CYBMUJFWSA-N 0 1 286.341 3.800 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1ccc([C@@H](C)O)cc1 ZINC000178548588 1126815751 /nfs/dbraw/zinc/81/57/51/1126815751.db2.gz IIGRCWBHLPBAPF-ZIAGYGMSSA-N 0 1 285.387 3.599 20 0 CHADMN CC[C@@H](N[C@H](C)c1cn(C)nc1C)c1ccc(F)cc1F ZINC000178719733 1126818862 /nfs/dbraw/zinc/81/88/62/1126818862.db2.gz LQJVKDQDCGVEPZ-QLJPJBMISA-N 0 1 293.361 3.809 20 0 CHADMN C[C@@H](NCc1ccon1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000179430529 1126828870 /nfs/dbraw/zinc/82/88/70/1126828870.db2.gz VGEVVSGWOPSBCL-GHMZBOCLSA-N 0 1 298.308 3.975 20 0 CHADMN CN[C@@H](CC(C)C)c1nc([C@H]2CCc3ccccc3C2)no1 ZINC000904096191 1126830346 /nfs/dbraw/zinc/83/03/46/1126830346.db2.gz GNZASHUOFQJJKD-HOTGVXAUSA-N 0 1 299.418 3.649 20 0 CHADMN Cc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2)cc1 ZINC000484604193 1126835455 /nfs/dbraw/zinc/83/54/55/1126835455.db2.gz ZPDXKWPYRXYBAU-SFHVURJKSA-N 0 1 294.398 3.771 20 0 CHADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)[C@@H]1CC=CCC1 ZINC000179864444 1126835817 /nfs/dbraw/zinc/83/58/17/1126835817.db2.gz DSBYBUKESBIAQI-SECBINFHSA-N 0 1 291.301 3.795 20 0 CHADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C1CCCC1 ZINC000179856553 1126836161 /nfs/dbraw/zinc/83/61/61/1126836161.db2.gz SFGGDGBIOLZXHE-UHFFFAOYSA-N 0 1 279.290 3.629 20 0 CHADMN Oc1cccc(CN(Cc2cccs2)C2CC2)c1 ZINC000180035561 1126838722 /nfs/dbraw/zinc/83/87/22/1126838722.db2.gz LWALFINZABRASF-UHFFFAOYSA-N 0 1 259.374 3.618 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1Cl)N(C)Cc1cnc[nH]1 ZINC000180053926 1126838895 /nfs/dbraw/zinc/83/88/95/1126838895.db2.gz PBVLARIKAWQRJC-VIFPVBQESA-N 0 1 284.190 3.910 20 0 CHADMN c1cncc(CN(Cc2cccc3cccnc32)C2CC2)c1 ZINC000180742487 1126848313 /nfs/dbraw/zinc/84/83/13/1126848313.db2.gz FTUOZPJYJGAANX-UHFFFAOYSA-N 0 1 289.382 3.794 20 0 CHADMN Clc1csc(CNCC2(c3ccccc3)CC2)n1 ZINC000759189127 1130642050 /nfs/dbraw/zinc/64/20/50/1130642050.db2.gz GBDFPROIKSKDAF-UHFFFAOYSA-N 0 1 278.808 3.618 20 0 CHADMN COC[C@@H](N[C@H]1CCc2ccc(OC)cc21)c1ccccc1 ZINC000180840681 1126849352 /nfs/dbraw/zinc/84/93/52/1126849352.db2.gz UUPXCKYFILLCSB-RBUKOAKNSA-N 0 1 297.398 3.660 20 0 CHADMN CC(C)[C@H](NCc1cncn1C)c1ccc(Cl)cc1F ZINC000181009196 1126851269 /nfs/dbraw/zinc/85/12/69/1126851269.db2.gz RCOINRIOQADZPT-HNNXBMFYSA-N 0 1 295.789 3.700 20 0 CHADMN CC(C)c1ccc(Cc2noc(C34CCC(CC3)N4)n2)cc1 ZINC000904550511 1126856657 /nfs/dbraw/zinc/85/66/57/1126856657.db2.gz WVLAIXRERCHTKK-UHFFFAOYSA-N 0 1 297.402 3.525 20 0 CHADMN CC(C)Cc1noc(CN[C@H](C)[C@@H](C)c2ccccc2)n1 ZINC000181523368 1126856976 /nfs/dbraw/zinc/85/69/76/1126856976.db2.gz CULFAEMNFIMIBN-ZIAGYGMSSA-N 0 1 287.407 3.550 20 0 CHADMN Cc1ccc([C@@H]2CCCC[N@H+]2CCCCC(=O)[O-])cc1 ZINC000181563098 1126857474 /nfs/dbraw/zinc/85/74/74/1126857474.db2.gz UWWYVYMQIFKPLJ-INIZCTEOSA-N 0 1 275.392 3.777 20 0 CHADMN Cc1nc(CN[C@@H](C)C(C)(C)c2ccccc2)oc1C ZINC000181796912 1126861326 /nfs/dbraw/zinc/86/13/26/1126861326.db2.gz YARWLKZHTFDLAU-AWEZNQCLSA-N 0 1 272.392 3.747 20 0 CHADMN CC[C@@H](NCCSc1ccc(C)cc1)c1nccn1C ZINC000182232959 1126868977 /nfs/dbraw/zinc/86/89/77/1126868977.db2.gz AHJCUYARCZTRCB-OAHLLOKOSA-N 0 1 289.448 3.562 20 0 CHADMN CCN(c1ccc(N[C@H](C)c2cnccn2)cc1)C(C)C ZINC000182773191 1126877612 /nfs/dbraw/zinc/87/76/12/1126877612.db2.gz PUGDBGQQINFLDQ-CQSZACIVSA-N 0 1 284.407 3.884 20 0 CHADMN Cc1ccsc1C[N@H+](C)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000568757212 1126882753 /nfs/dbraw/zinc/88/27/53/1126882753.db2.gz CUIRNWKOZIYLIF-NSHDSACASA-N 0 1 293.388 3.849 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CC[C@@H](C)[C@@H]2C)s1 ZINC000183602744 1126889383 /nfs/dbraw/zinc/88/93/83/1126889383.db2.gz ADCYRWRSXRTDCW-SFYZADRCSA-N 0 1 278.343 3.701 20 0 CHADMN Cc1ccc(CN(C)[C@H](C)c2ccccn2)cc1F ZINC000183673902 1126890810 /nfs/dbraw/zinc/89/08/10/1126890810.db2.gz GSOYRSPSSDLRRX-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN Cc1cccc(CCC[N@H+](C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000905368813 1126898728 /nfs/dbraw/zinc/89/87/28/1126898728.db2.gz BVCYAPHYEHNFNJ-SFHVURJKSA-N 0 1 297.398 3.685 20 0 CHADMN C[C@H]1CCC[C@@H](NCc2ncc(-c3ccccc3)cn2)C1 ZINC000185867526 1126903861 /nfs/dbraw/zinc/90/38/61/1126903861.db2.gz HQFLNINKYGZELZ-WMLDXEAASA-N 0 1 281.403 3.812 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCC(c2ccco2)CC1 ZINC000668463280 1126905326 /nfs/dbraw/zinc/90/53/26/1126905326.db2.gz NUXVTZNBOBXVFR-UHFFFAOYSA-N 0 1 287.407 3.745 20 0 CHADMN CCN(CC)Cc1nc(Cl)ccc1C(F)(F)F ZINC001235225768 1130724230 /nfs/dbraw/zinc/72/42/30/1130724230.db2.gz CJOGKHMRJKSPRM-UHFFFAOYSA-N 0 1 266.694 3.596 20 0 CHADMN CCN[C@H](C)c1nc(-c2ccc3ccccc3c2)no1 ZINC000109509782 1126907943 /nfs/dbraw/zinc/90/79/43/1126907943.db2.gz ONJUUYBWCKGUCL-LLVKDONJSA-N 0 1 267.332 3.560 20 0 CHADMN Cc1ncsc1CN(C)Cc1ccc2nc(C)ccc2c1 ZINC000187168695 1126908146 /nfs/dbraw/zinc/90/81/46/1126908146.db2.gz GXWYUCSZMUAMRT-UHFFFAOYSA-N 0 1 297.427 3.940 20 0 CHADMN CO[C@@H]1CCCN(Cc2ccc(C(C)C)nc2Cl)CC1 ZINC001238729217 1131238598 /nfs/dbraw/zinc/23/85/98/1131238598.db2.gz REQKUEFQBIOKBH-CQSZACIVSA-N 0 1 296.842 3.859 20 0 CHADMN CC[C@@](C)(NCc1cc(OC)cc(C)n1)c1ccccc1 ZINC000777435226 1126911006 /nfs/dbraw/zinc/91/10/06/1126911006.db2.gz FTZHONIZMKHXGS-GOSISDBHSA-N 0 1 284.403 3.814 20 0 CHADMN CCN(Cc1nc(C)cs1)[C@H](C)Cc1ccsc1 ZINC000187807253 1126915564 /nfs/dbraw/zinc/91/55/64/1126915564.db2.gz JSQMXQIXJOTCKM-GFCCVEGCSA-N 0 1 280.462 3.966 20 0 CHADMN Fc1ccc([C@H](NC[C@H]2CC=CCC2)c2ncc[nH]2)cc1 ZINC000187853977 1126915880 /nfs/dbraw/zinc/91/58/80/1126915880.db2.gz DTRJFJKUISWNMH-BBRMVZONSA-N 0 1 285.366 3.584 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H]1CCc2c1cccc2Cl ZINC000187885770 1126916542 /nfs/dbraw/zinc/91/65/42/1126916542.db2.gz WSKWBZYVRQXZCR-NHYWBVRUSA-N 0 1 287.794 3.777 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@H](C)c2nccnc2C)c1 ZINC000187985023 1126917599 /nfs/dbraw/zinc/91/75/99/1126917599.db2.gz YFDLTFVVGVJHLK-UKRRQHHQSA-N 0 1 269.392 3.814 20 0 CHADMN Cc1cccc([C@@H](O)CN2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000905963267 1126923470 /nfs/dbraw/zinc/92/34/70/1126923470.db2.gz RJPRIPBTMKFMOF-MSOLQXFVSA-N 0 1 285.362 3.615 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1nccnc1C)[C@@H](C)C2 ZINC000188442549 1126923888 /nfs/dbraw/zinc/92/38/88/1126923888.db2.gz QKNNRRBVHVWWPP-RVSPLBMKSA-N 0 1 281.403 3.678 20 0 CHADMN CC=C(CC)C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000188681278 1126925524 /nfs/dbraw/zinc/92/55/24/1126925524.db2.gz MMOMUYSZVYSEMB-ZXDCMVLGSA-N 0 1 299.374 3.709 20 0 CHADMN COCC1(C2CCC2)CN(Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000668513634 1126926624 /nfs/dbraw/zinc/92/66/24/1126926624.db2.gz MAIMEAVXYFUNNI-BBRMVZONSA-N 0 1 289.419 3.652 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC([C@@H]2CCCO2)CC1 ZINC000189191099 1126929093 /nfs/dbraw/zinc/92/90/93/1126929093.db2.gz SGJQOTVVIWXMSS-LRDDRELGSA-N 0 1 295.373 3.917 20 0 CHADMN Cc1ccnc(CN2CCC[C@H](C)[C@H]2C)c1Cl ZINC001235580617 1130755966 /nfs/dbraw/zinc/75/59/66/1130755966.db2.gz NRGGWXBCFSVINY-CMPLNLGQSA-N 0 1 252.789 3.664 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1cc(F)cc(F)c1 ZINC000189293590 1126930655 /nfs/dbraw/zinc/93/06/55/1126930655.db2.gz HGTGYRBOBIMLFB-INIZCTEOSA-N 0 1 276.330 3.943 20 0 CHADMN Cc1ccc(F)cc1CN1CCC[C@@H]1c1ccncc1 ZINC000189286316 1126930856 /nfs/dbraw/zinc/93/08/56/1126930856.db2.gz BPPMELSBGAPTEZ-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cc(-c2cnc([C@@H]3CCCCN3)nc2)c(F)cc1F ZINC000906161909 1126936868 /nfs/dbraw/zinc/93/68/68/1126936868.db2.gz PJTCWZYMPSZEAM-HNNXBMFYSA-N 0 1 289.329 3.545 20 0 CHADMN C[C@@H](NCC[C@H]1CCCO1)c1ncc(-c2ccccc2)o1 ZINC000189964411 1126937319 /nfs/dbraw/zinc/93/73/19/1126937319.db2.gz HVPHWKIUCDXKDB-UKRRQHHQSA-N 0 1 286.375 3.561 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)Nc1cc(C)nc2ccc(F)cc21 ZINC000189597643 1126933066 /nfs/dbraw/zinc/93/30/66/1126933066.db2.gz MQYXGUMTFVCROW-LLVKDONJSA-N 0 1 298.365 3.897 20 0 CHADMN CNCc1ncc(-c2ccc(OC3CCCCC3)cc2)cn1 ZINC000906171580 1126933573 /nfs/dbraw/zinc/93/35/73/1126933573.db2.gz AKEOXACKPBOHRO-UHFFFAOYSA-N 0 1 297.402 3.575 20 0 CHADMN CCC[C@H]1CCCCN1Cc1cnc(OC)c(Cl)c1 ZINC001235701356 1130770059 /nfs/dbraw/zinc/77/00/59/1130770059.db2.gz NUAJWUYFSNCZKR-ZDUSSCGKSA-N 0 1 282.815 3.898 20 0 CHADMN CSc1ccccc1-c1cnc([C@H]2CCCCN2)nc1 ZINC000906177847 1126934640 /nfs/dbraw/zinc/93/46/40/1126934640.db2.gz BCSZVMLHQRIGDP-CQSZACIVSA-N 0 1 285.416 3.680 20 0 CHADMN CC(C)(C)Oc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1 ZINC000190495146 1126941987 /nfs/dbraw/zinc/94/19/87/1126941987.db2.gz SKLSGSSEASUQPS-UHFFFAOYSA-N 0 1 299.374 3.717 20 0 CHADMN Cc1ccsc1CN[C@H]1CCOc2c(F)cccc21 ZINC000191126492 1126947675 /nfs/dbraw/zinc/94/76/75/1126947675.db2.gz ZPUKWXXGAKNXTF-ZDUSSCGKSA-N 0 1 277.364 3.809 20 0 CHADMN C[C@H](NC[C@H]1CC[C@H](C)O1)c1ncc(-c2ccccc2)o1 ZINC000191100900 1126948278 /nfs/dbraw/zinc/94/82/78/1126948278.db2.gz ZWAREVDEJPTZHN-KCQAQPDRSA-N 0 1 286.375 3.560 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1[C@H](C)CC[C@@H]1C ZINC000191158273 1126949146 /nfs/dbraw/zinc/94/91/46/1126949146.db2.gz LYHPBGQHFHRGQX-AXFHLTTASA-N 0 1 277.393 3.732 20 0 CHADMN CC[C@H](C)CC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000190724461 1126943666 /nfs/dbraw/zinc/94/36/66/1126943666.db2.gz VRBWRJLHOBUHHH-BLLLJJGKSA-N 0 1 299.418 3.971 20 0 CHADMN COCc1cnc(CN2CC[C@H](C3CCCCC3)C2)s1 ZINC000668536091 1126943823 /nfs/dbraw/zinc/94/38/23/1126943823.db2.gz NVZTYFYHVXPGHH-AWEZNQCLSA-N 0 1 294.464 3.692 20 0 CHADMN CC[C@H](C)CC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000190724496 1126944002 /nfs/dbraw/zinc/94/40/02/1126944002.db2.gz VRBWRJLHOBUHHH-LRDDRELGSA-N 0 1 299.418 3.971 20 0 CHADMN CCCN(Cc1cn(C2CC2)nn1)[C@H]1CCc2ccccc21 ZINC000906261645 1126944843 /nfs/dbraw/zinc/94/48/43/1126944843.db2.gz XDGBWHONCMBGIC-SFHVURJKSA-N 0 1 296.418 3.513 20 0 CHADMN CC[C@@H](CN(CC)Cc1cn(C2CC2)nn1)c1ccccc1 ZINC000906297984 1126945719 /nfs/dbraw/zinc/94/57/19/1126945719.db2.gz YPIIGBSPYLCUNC-HNNXBMFYSA-N 0 1 298.434 3.629 20 0 CHADMN COc1cc(C)ccc1CN[C@@H]1CCCc2occc21 ZINC000190943572 1126946216 /nfs/dbraw/zinc/94/62/16/1126946216.db2.gz WBACVSNLIXOABA-OAHLLOKOSA-N 0 1 271.360 3.764 20 0 CHADMN Fc1cccc([C@@H]2C[C@H]2N2CCC(c3ccon3)CC2)c1 ZINC000906590971 1126959586 /nfs/dbraw/zinc/95/95/86/1126959586.db2.gz USJCGXJROZJYCF-DOTOQJQBSA-N 0 1 286.350 3.549 20 0 CHADMN CC(C)Oc1ccc(CC[C@H](C)NCc2cocn2)cc1 ZINC000192288989 1126960071 /nfs/dbraw/zinc/96/00/71/1126960071.db2.gz HHLUFOPSWOSUKI-AWEZNQCLSA-N 0 1 288.391 3.573 20 0 CHADMN CCOc1c(Cl)cccc1CN(C)CC1=CCCOC1 ZINC000668568934 1126963139 /nfs/dbraw/zinc/96/31/39/1126963139.db2.gz OQRSICYNKUIECU-UHFFFAOYSA-N 0 1 295.810 3.517 20 0 CHADMN FCC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000668593249 1126973708 /nfs/dbraw/zinc/97/37/08/1126973708.db2.gz SHVDGELSJAWZFT-AWEZNQCLSA-N 0 1 287.382 3.648 20 0 CHADMN C=Cn1cc(CNCc2cccc(COC(C)(C)C)c2)cn1 ZINC000194281703 1126973077 /nfs/dbraw/zinc/97/30/77/1126973077.db2.gz PYTITMWZQCVQNV-UHFFFAOYSA-N 0 1 299.418 3.589 20 0 CHADMN Cc1cccc([C@H](NC[C@H]2CCC=CO2)c2ccccn2)c1 ZINC000194534906 1126975642 /nfs/dbraw/zinc/97/56/42/1126975642.db2.gz CVANDGKQKZZFDR-MJGOQNOKSA-N 0 1 294.398 3.762 20 0 CHADMN COc1cc(CN(C)[C@@H](C)c2ccccn2)ccc1C ZINC000194587108 1126975676 /nfs/dbraw/zinc/97/56/76/1126975676.db2.gz HFDZERVGCSBRGV-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN CCCC[C@H](CC)CN[C@@H](c1ncc[nH]1)c1cccnc1 ZINC000194959952 1126977396 /nfs/dbraw/zinc/97/73/96/1126977396.db2.gz ISHWXIFQLCQMNT-GOEBONIOSA-N 0 1 286.423 3.700 20 0 CHADMN c1c[nH]c([C@@H](NCC2CCCCCCC2)c2cccnc2)n1 ZINC000194992290 1126977436 /nfs/dbraw/zinc/97/74/36/1126977436.db2.gz BDLIAVAPLISDKD-KRWDZBQOSA-N 0 1 298.434 3.844 20 0 CHADMN CC1(CN[C@@H](c2ncc[nH]2)c2cccnc2)CCCCCC1 ZINC000195088575 1126978366 /nfs/dbraw/zinc/97/83/66/1126978366.db2.gz DTZKGUMYCCDKQW-MRXNPFEDSA-N 0 1 298.434 3.844 20 0 CHADMN CCc1ncc(CN2CC(Cc3ccc(C)cc3)C2)s1 ZINC000668608113 1126979318 /nfs/dbraw/zinc/97/93/18/1126979318.db2.gz LIGHKSOIQOBOTO-UHFFFAOYSA-N 0 1 286.444 3.688 20 0 CHADMN CCC(F)(F)CN[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000697569646 1130856506 /nfs/dbraw/zinc/85/65/06/1130856506.db2.gz MSHKOZKBZQTLMQ-DTWKUNHWSA-N 0 1 259.262 3.742 20 0 CHADMN CCCC(C)(C)CC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000486432241 1126981901 /nfs/dbraw/zinc/98/19/01/1126981901.db2.gz SKBMSUBYPBTUPB-UHFFFAOYSA-N 0 1 287.407 3.704 20 0 CHADMN CCN(Cc1ncc(-c2ccc(C)cc2)o1)C1CC1 ZINC000266541444 1126983812 /nfs/dbraw/zinc/98/38/12/1126983812.db2.gz QCALOXUGSZVXHU-UHFFFAOYSA-N 0 1 256.349 3.634 20 0 CHADMN CC[C@@](C)(NCCC(F)(F)F)c1nc(C)cs1 ZINC000266622443 1126985583 /nfs/dbraw/zinc/98/55/83/1126985583.db2.gz LSSZAQAVGMZGCL-SNVBAGLBSA-N 0 1 266.332 3.619 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@@H](C)N(CC(=O)OC(C)(C)C)C1 ZINC000303786961 1126993477 /nfs/dbraw/zinc/99/34/77/1126993477.db2.gz UGPXLVQLFAYFII-HUUCEWRRSA-N 0 1 289.419 3.515 20 0 CHADMN Cn1nncc1CN[C@@H](CC1CCCCC1)c1ccccc1 ZINC000267513544 1127001509 /nfs/dbraw/zinc/00/15/09/1127001509.db2.gz KULKROOJTHEBDU-SFHVURJKSA-N 0 1 298.434 3.616 20 0 CHADMN C[C@H]1CN(Cc2nc3ccccc3n2C(F)F)C[C@@H]1C ZINC000267799928 1127006595 /nfs/dbraw/zinc/00/65/95/1127006595.db2.gz KSXINQGPMAGXHT-QWRGUYRKSA-N 0 1 279.334 3.519 20 0 CHADMN Cc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[nH]1 ZINC000101260263 1127007531 /nfs/dbraw/zinc/00/75/31/1127007531.db2.gz RLBVEDPQLZEVHZ-UHFFFAOYSA-N 0 1 277.538 3.847 20 0 CHADMN Cc1cc(=O)[nH]c([C@H](C)N[C@H](c2ccccc2)C(C)C)n1 ZINC000268369744 1127017128 /nfs/dbraw/zinc/01/71/28/1127017128.db2.gz HMOMOCYSULSXEI-BBRMVZONSA-N 0 1 285.391 3.539 20 0 CHADMN COCc1ccc(CNC2(c3ccccc3)CCC2)o1 ZINC000268795822 1127024410 /nfs/dbraw/zinc/02/44/10/1127024410.db2.gz NYRJEGDINNGSFT-UHFFFAOYSA-N 0 1 271.360 3.595 20 0 CHADMN Cc1cscc1CNCc1c[nH]c(-c2ccccc2)n1 ZINC000487167846 1127021610 /nfs/dbraw/zinc/02/16/10/1127021610.db2.gz RTJMVEGELMRUMU-UHFFFAOYSA-N 0 1 283.400 3.736 20 0 CHADMN C[C@H](NCc1ccc(N2CCCCC2)nc1)c1ccco1 ZINC000268757656 1127022468 /nfs/dbraw/zinc/02/24/68/1127022468.db2.gz FREUDWCINZTHTQ-AWEZNQCLSA-N 0 1 285.391 3.516 20 0 CHADMN C[C@H](NCCSC(F)(F)F)c1cccnc1Cl ZINC000268768821 1127023189 /nfs/dbraw/zinc/02/31/89/1127023189.db2.gz DBACQNHVUCXPFU-ZETCQYMHSA-N 0 1 284.734 3.639 20 0 CHADMN Cc1ncc([C@H](C)N[C@H]2CCc3c2cccc3F)c(C)n1 ZINC000268858647 1127026375 /nfs/dbraw/zinc/02/63/75/1127026375.db2.gz BLNNGHLFOQMOJR-GTNSWQLSSA-N 0 1 285.366 3.571 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@H](C)c1cn(C)nc1C ZINC000268866594 1127026400 /nfs/dbraw/zinc/02/64/00/1127026400.db2.gz COBHDOKQKZJMMX-CHWSQXEVSA-N 0 1 287.407 3.539 20 0 CHADMN CCCCCc1cc(C(=O)N2CCCCC[C@@H]2C)n[nH]1 ZINC000668771486 1127027264 /nfs/dbraw/zinc/02/72/64/1127027264.db2.gz PVXUYPWUJHYSCD-ZDUSSCGKSA-N 0 1 277.412 3.547 20 0 CHADMN Cc1ccsc1[C@@H](C)NCc1cn2cc(C)ccc2n1 ZINC000268910717 1127028103 /nfs/dbraw/zinc/02/81/03/1127028103.db2.gz OCQFCMITCKHOLB-CYBMUJFWSA-N 0 1 285.416 3.863 20 0 CHADMN Cc1ccn2cc(CN[C@@H]3c4ccccc4C[C@@H]3C)nc2c1 ZINC000268922539 1127029328 /nfs/dbraw/zinc/02/93/28/1127029328.db2.gz QQIHHKGNBRBCOS-LIRRHRJNSA-N 0 1 291.398 3.666 20 0 CHADMN C[C@H](NCc1cc(COC(C)(C)C)on1)[C@H]1CC1(C)C ZINC000487547877 1127034842 /nfs/dbraw/zinc/03/48/42/1127034842.db2.gz ANEJYKFPVQBQMQ-SMDDNHRTSA-N 0 1 280.412 3.514 20 0 CHADMN CC[C@](C)(NC/C=C\c1ccncc1)c1nc(C)cs1 ZINC000487310394 1127030699 /nfs/dbraw/zinc/03/06/99/1127030699.db2.gz XXGKHZWYRABOEV-KJPDOMRESA-N 0 1 287.432 3.775 20 0 CHADMN Cc1ccc(CCCN2CCC(=O)CC23CCC3)cc1 ZINC000653765045 1127035712 /nfs/dbraw/zinc/03/57/12/1127035712.db2.gz UZZOWVGYIKYLGP-UHFFFAOYSA-N 0 1 271.404 3.515 20 0 CHADMN Cc1ccncc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000269683539 1127044877 /nfs/dbraw/zinc/04/48/77/1127044877.db2.gz MMMMTNPBRBGTCB-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccncc1CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000269484221 1127040667 /nfs/dbraw/zinc/04/06/67/1127040667.db2.gz BLCYWOIVAFKKFT-LBPRGKRZSA-N 0 1 276.330 3.861 20 0 CHADMN O=C(CCC1CC1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000270348582 1127053342 /nfs/dbraw/zinc/05/33/42/1127053342.db2.gz BIIRBAJUDXZPHK-UHFFFAOYSA-N 0 1 279.290 3.629 20 0 CHADMN COCCN(Cc1csc(C(C)C)n1)[C@@H]1CCC[C@H]1C ZINC000488060655 1127054027 /nfs/dbraw/zinc/05/40/27/1127054027.db2.gz JFKXZJFREVQGCW-UKRRQHHQSA-N 0 1 296.480 3.904 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(C(C)(C)C)cc2)ncn1 ZINC000270111806 1127050519 /nfs/dbraw/zinc/05/05/19/1127050519.db2.gz GRWNDZZAWZLZSF-CQSZACIVSA-N 0 1 283.419 3.933 20 0 CHADMN Cc1cc(Cl)cc(CN2CCC(C)(C)CC2)n1 ZINC001236639502 1130987249 /nfs/dbraw/zinc/98/72/49/1130987249.db2.gz PZWHVZHTVAPHBS-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN Cc1ccc2cc[nH+]c(N[C@@H]3CC[C@H](CC(=O)[O-])C3)c2c1 ZINC000910396972 1127057885 /nfs/dbraw/zinc/05/78/85/1127057885.db2.gz NDZIOBNYLMWXNK-GXTWGEPZSA-N 0 1 284.359 3.599 20 0 CHADMN C[C@H]1CSCCN(Cc2ccc(F)cc2Cl)C1 ZINC000488160085 1127059517 /nfs/dbraw/zinc/05/95/17/1127059517.db2.gz JNWPUTRRBDXAIA-SNVBAGLBSA-N 0 1 273.804 3.664 20 0 CHADMN C[C@H](c1cccnc1)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000270704569 1127060923 /nfs/dbraw/zinc/06/09/23/1127060923.db2.gz MUUQAYJGMOUSQO-MRXNPFEDSA-N 0 1 295.430 3.875 20 0 CHADMN C[C@H](c1cccnc1)N(C)Cc1ccccc1N1CCCC1 ZINC000270704569 1127060927 /nfs/dbraw/zinc/06/09/27/1127060927.db2.gz MUUQAYJGMOUSQO-MRXNPFEDSA-N 0 1 295.430 3.875 20 0 CHADMN Cc1cc(Cl)cc(CN2CCCCC23CC3)n1 ZINC001236647657 1130988905 /nfs/dbraw/zinc/98/89/05/1130988905.db2.gz OSAZMYUNYJIELA-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN Cc1ccccc1CSCc1n[nH]c(C(C)C)n1 ZINC000488222790 1127064555 /nfs/dbraw/zinc/06/45/55/1127064555.db2.gz AFOKRGNTJCIJAM-UHFFFAOYSA-N 0 1 261.394 3.670 20 0 CHADMN CN(Cc1cccs1)CC1=Cc2ccccc2OC1 ZINC000270990230 1127065011 /nfs/dbraw/zinc/06/50/11/1127065011.db2.gz HQVKSJXNYXHYLZ-UHFFFAOYSA-N 0 1 271.385 3.656 20 0 CHADMN COc1ncccc1CN(Cc1ccccc1)C(C)(C)C ZINC000488242733 1127065877 /nfs/dbraw/zinc/06/58/77/1127065877.db2.gz JDGRCRNMVZBKGT-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN COc1ncccc1CN[C@H](C)c1c(C)cccc1C ZINC000488264080 1127066227 /nfs/dbraw/zinc/06/62/27/1127066227.db2.gz NJZMZWYKJMNQGJ-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN CCN(Cc1cc(C)sc1C)Cc1ccncc1 ZINC000271056068 1127066938 /nfs/dbraw/zinc/06/69/38/1127066938.db2.gz ZHBBWJYAGTZSMA-UHFFFAOYSA-N 0 1 260.406 3.782 20 0 CHADMN CCN(Cc1ccncc1)Cc1cccc(OC(F)F)c1 ZINC000271052924 1127067259 /nfs/dbraw/zinc/06/72/59/1127067259.db2.gz XVYOEMSLDBDWOY-UHFFFAOYSA-N 0 1 292.329 3.705 20 0 CHADMN CC(C)n1cc(CN2CCC[C@@H]2c2ccsc2)cn1 ZINC000271057020 1127067428 /nfs/dbraw/zinc/06/74/28/1127067428.db2.gz DDPOUNLFSDKQIQ-OAHLLOKOSA-N 0 1 275.421 3.863 20 0 CHADMN CC(C)[C@H](CN[C@H](C)c1cscn1)Nc1ccccc1 ZINC000271126040 1127069974 /nfs/dbraw/zinc/06/99/74/1127069974.db2.gz KOJBAJZXKCQUMF-HIFRSBDPSA-N 0 1 289.448 3.930 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C=C1CCC(C)CC1 ZINC000271259589 1127074448 /nfs/dbraw/zinc/07/44/48/1127074448.db2.gz JGILBJIZDRFCFK-UHFFFAOYSA-N 0 1 283.322 3.731 20 0 CHADMN Cc1noc(C(C)C)c1C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000271258760 1127074508 /nfs/dbraw/zinc/07/45/08/1127074508.db2.gz KJESADDFHVEAPU-UHFFFAOYSA-N 0 1 298.346 3.543 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)CCC1CCCCC1 ZINC000271325906 1127075844 /nfs/dbraw/zinc/07/58/44/1127075844.db2.gz YHNBLTRCTNBGNA-UHFFFAOYSA-N 0 1 285.338 3.955 20 0 CHADMN CCc1nc(CN(C)C[C@@H]2CC[C@H]3C[C@H]3C2)cs1 ZINC000659858948 1127079390 /nfs/dbraw/zinc/07/93/90/1127079390.db2.gz VRNDWGNLACWLKS-FRRDWIJNSA-N 0 1 264.438 3.574 20 0 CHADMN COc1ccccc1C[C@@H](C)N(C)Cc1ncc(C)s1 ZINC000271422559 1127079510 /nfs/dbraw/zinc/07/95/10/1127079510.db2.gz YUSDDMMVOBMYMM-GFCCVEGCSA-N 0 1 290.432 3.523 20 0 CHADMN CC1(C)C[C@@H](N[C@H]2CCCc3c[nH]nc32)c2ccccc21 ZINC000271449400 1127082653 /nfs/dbraw/zinc/08/26/53/1127082653.db2.gz DKHSNTRNKKGCQO-JKSUJKDBSA-N 0 1 281.403 3.799 20 0 CHADMN CC[C@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000271455802 1127082374 /nfs/dbraw/zinc/08/23/74/1127082374.db2.gz JGPKTRUIGDAWPK-DLBZAZTESA-N 0 1 291.341 3.739 20 0 CHADMN Clc1ccc2c(c1)CC[C@@H]2N[C@H]1CCCc2c[nH]nc21 ZINC000271463154 1127083780 /nfs/dbraw/zinc/08/37/80/1127083780.db2.gz GKDSCZWXTOBJMO-GJZGRUSLSA-N 0 1 287.794 3.718 20 0 CHADMN COc1ccnc([C@H](C)N[C@H]2CCc3cc(F)ccc32)c1 ZINC000924841727 1127084244 /nfs/dbraw/zinc/08/42/44/1127084244.db2.gz DBNYOCVAJHEJHM-ZBEGNZNMSA-N 0 1 286.350 3.567 20 0 CHADMN Cc1cnc(CN2CC[C@H](c3cccc(F)c3)C2)s1 ZINC000271479485 1127084807 /nfs/dbraw/zinc/08/48/07/1127084807.db2.gz IAUVEAUAKYGGRI-ZDUSSCGKSA-N 0 1 276.380 3.580 20 0 CHADMN CC[C@H](NCc1cc(C)ncn1)c1ccc(Cl)s1 ZINC000271484744 1127085964 /nfs/dbraw/zinc/08/59/64/1127085964.db2.gz KAKZTVQHQJCNMQ-NSHDSACASA-N 0 1 281.812 3.741 20 0 CHADMN CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@H](C)c1cscn1 ZINC000271494398 1127087035 /nfs/dbraw/zinc/08/70/35/1127087035.db2.gz LHBKRRXUQMJGRA-ZETOZRRWSA-N 0 1 294.395 3.709 20 0 CHADMN Cc1cccnc1CN1CCc2sccc2[C@H]1C ZINC000271511248 1127087309 /nfs/dbraw/zinc/08/73/09/1127087309.db2.gz LWWHALMXDXXVNA-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN CCc1nc[nH]c1C(=O)N(CC(C)C)c1ccc(C)cc1C ZINC000911864773 1127087541 /nfs/dbraw/zinc/08/75/41/1127087541.db2.gz GQXZUDSBSBXIHM-UHFFFAOYSA-N 0 1 299.418 3.892 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@@H]2CCCc3c[nH]nc32)c1 ZINC000271537247 1127089326 /nfs/dbraw/zinc/08/93/26/1127089326.db2.gz SBLROTFSVFOWOE-CZUORRHYSA-N 0 1 269.392 3.755 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2ccc(F)c(C)c2)c(C)n1 ZINC000271539923 1127089333 /nfs/dbraw/zinc/08/93/33/1127089333.db2.gz UBJVEWLWYBNOCW-VXGBXAGGSA-N 0 1 287.382 3.953 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)s1 ZINC000271534089 1127089768 /nfs/dbraw/zinc/08/97/68/1127089768.db2.gz PYUPWCXOEDYKKB-GHMZBOCLSA-N 0 1 278.425 3.710 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H](C)c2ccc3c(c2)CCC3)n[nH]1 ZINC000271550800 1127090788 /nfs/dbraw/zinc/09/07/88/1127090788.db2.gz RZFVEFNCPVWQDT-OLZOCXBDSA-N 0 1 298.434 3.829 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H]2CCCc3c[nH]nc32)s1 ZINC000271542482 1127090976 /nfs/dbraw/zinc/09/09/76/1127090976.db2.gz SVTLELHOYPQKIM-PWSUYJOCSA-N 0 1 261.394 3.508 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c[nH]nc21)c1cnc2ccsc2c1 ZINC000271542539 1127091084 /nfs/dbraw/zinc/09/10/84/1127091084.db2.gz SWIFQDGQEZQQDE-YGRLFVJLSA-N 0 1 298.415 3.748 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H]1CCCOc2ccccc21 ZINC000271553550 1127091927 /nfs/dbraw/zinc/09/19/27/1127091927.db2.gz MUPKKTXMAQKZPT-PBHICJAKSA-N 0 1 282.387 3.955 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H]1CCCc3c[nH]nc31)CCC2 ZINC000271564265 1127091949 /nfs/dbraw/zinc/09/19/49/1127091949.db2.gz XIJIUKHJLWEGIH-IAGOWNOFSA-N 0 1 281.403 3.763 20 0 CHADMN CCC[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000271554801 1127091963 /nfs/dbraw/zinc/09/19/63/1127091963.db2.gz VPWCACDTQNGQMX-HOTGVXAUSA-N 0 1 269.392 3.918 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3c[nH]nc31)CCC2 ZINC000271564263 1127092332 /nfs/dbraw/zinc/09/23/32/1127092332.db2.gz XIJIUKHJLWEGIH-DLBZAZTESA-N 0 1 281.403 3.763 20 0 CHADMN Cc1nc([C@H](C)N[C@H]2C[C@H]2Cc2ccccc2)cs1 ZINC000271571310 1127092936 /nfs/dbraw/zinc/09/29/36/1127092936.db2.gz ZEGLUPBVPFIJHS-GLQYFDAESA-N 0 1 272.417 3.733 20 0 CHADMN CCn1cc(CN[C@@H](C)c2sc(C(C)C)nc2C)cn1 ZINC000271572727 1127093363 /nfs/dbraw/zinc/09/33/63/1127093363.db2.gz ZHTXAGHIQHYUSF-NSHDSACASA-N 0 1 292.452 3.642 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccc1OC(F)(F)F)c1cn[nH]c1 ZINC000271593558 1127093974 /nfs/dbraw/zinc/09/39/74/1127093974.db2.gz YQCKZMCTUDMMBH-UWVGGRQHSA-N 0 1 299.296 3.720 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2cnccc2C)c1 ZINC000271593625 1127094213 /nfs/dbraw/zinc/09/42/13/1127094213.db2.gz SSAYVMYRQPLECV-ZIAGYGMSSA-N 0 1 297.402 3.760 20 0 CHADMN COc1ncc(CN[C@@H](C)c2ccc(F)cc2)cc1Cl ZINC000271668062 1127096249 /nfs/dbraw/zinc/09/62/49/1127096249.db2.gz HMSCWLYCZDACDU-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN Clc1ccc([C@H](NCc2ccno2)C2CCC2)cc1 ZINC000271691046 1127096856 /nfs/dbraw/zinc/09/68/56/1127096856.db2.gz KKNZLDUFUDUSHV-OAHLLOKOSA-N 0 1 276.767 3.959 20 0 CHADMN COc1cccc([C@H](C)NCc2cnc(Cl)s2)c1 ZINC000271692542 1127097150 /nfs/dbraw/zinc/09/71/50/1127097150.db2.gz QYWXMODGEQGQFR-VIFPVBQESA-N 0 1 282.796 3.656 20 0 CHADMN Cc1oc2ccccc2c1CN[C@H](C)c1cnc(C)nc1C ZINC000274344982 1127113200 /nfs/dbraw/zinc/11/32/00/1127113200.db2.gz DXKYTRHAKRMXHQ-LLVKDONJSA-N 0 1 295.386 3.999 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2csc3ccccc23)[C@H](C(=O)[O-])C1 ZINC000129463617 1127113239 /nfs/dbraw/zinc/11/32/39/1127113239.db2.gz CXHBDDUZZJBIEE-RISCZKNCSA-N 0 1 289.400 3.586 20 0 CHADMN CCn1ccnc1[C@@H]1CCCCN1CCCCCF ZINC000339154839 1127116548 /nfs/dbraw/zinc/11/65/48/1127116548.db2.gz XBHQSESVLAQHOV-AWEZNQCLSA-N 0 1 267.392 3.570 20 0 CHADMN Cc1cc([C@H](C)NCc2cc(O)cc(F)c2)ccc1F ZINC000274402479 1127117642 /nfs/dbraw/zinc/11/76/42/1127117642.db2.gz GGJOLJIBLJJRLI-NSHDSACASA-N 0 1 277.314 3.830 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](C)c2ccccc2OC)ccn1 ZINC000348681904 1127124112 /nfs/dbraw/zinc/12/41/12/1127124112.db2.gz MDHMNPJMVLOVHC-OLZOCXBDSA-N 0 1 286.375 3.511 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cc(OC)ccn2)cc1 ZINC000924856664 1127129683 /nfs/dbraw/zinc/12/96/83/1127129683.db2.gz DEHCERPJEHXTAO-OLZOCXBDSA-N 0 1 286.375 3.511 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2c2cccnc2)cc1F ZINC000348920420 1127134159 /nfs/dbraw/zinc/13/41/59/1127134159.db2.gz JTOJFTBVJYVOOT-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CC(C)OCC[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000349218810 1127143548 /nfs/dbraw/zinc/14/35/48/1127143548.db2.gz PVUBNCOQRSNNSU-UONOGXRCSA-N 0 1 299.842 3.509 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)C2CCCCCC2)[nH]1 ZINC000283561842 1127144406 /nfs/dbraw/zinc/14/44/06/1127144406.db2.gz UYGYTZVJBROVAO-UHFFFAOYSA-N 0 1 285.391 3.666 20 0 CHADMN Cc1cc(Cl)nc(CN[C@@H](C)c2ccccc2)c1 ZINC000283496783 1127139628 /nfs/dbraw/zinc/13/96/28/1127139628.db2.gz LJMDXSBMLSRCIS-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)[C@H]2CCCC[C@@H]2C)[nH]1 ZINC000283477638 1127139905 /nfs/dbraw/zinc/13/99/05/1127139905.db2.gz MWROOWBVMWZQBS-NHYWBVRUSA-N 0 1 285.391 3.522 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@@H](c1cccnc1)C1CC1 ZINC000349301600 1127145993 /nfs/dbraw/zinc/14/59/93/1127145993.db2.gz XIDXKOJJDSNHMZ-IAQYHMDHSA-N 0 1 288.416 3.954 20 0 CHADMN OC[C@H](N[C@H]1CCSc2ccccc21)c1ccsc1 ZINC000349314370 1127146331 /nfs/dbraw/zinc/14/63/31/1127146331.db2.gz QXXMRWZEASHMFU-KBPBESRZSA-N 0 1 291.441 3.608 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@@H](C)c1cncc(F)c1 ZINC000349313617 1127146687 /nfs/dbraw/zinc/14/66/87/1127146687.db2.gz OWDOYZRLMBZXIT-VHSXEESVSA-N 0 1 280.368 3.703 20 0 CHADMN CC(C)C[C@@H]1CCCCN1Cc1cnc(Cl)cn1 ZINC000799141495 1131073055 /nfs/dbraw/zinc/07/30/55/1131073055.db2.gz XTIJHNMPGXFPJZ-ZDUSSCGKSA-N 0 1 267.804 3.531 20 0 CHADMN CC[C@H](N[C@H](CO)c1ccsc1)c1ccccc1OC ZINC000349344292 1127148038 /nfs/dbraw/zinc/14/80/38/1127148038.db2.gz RVMKTIXIUPUNBK-LSDHHAIUSA-N 0 1 291.416 3.531 20 0 CHADMN COC[C@@H](NCc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000571053104 1127152880 /nfs/dbraw/zinc/15/28/80/1127152880.db2.gz JNNATBCMHNXCOT-MRXNPFEDSA-N 0 1 293.769 3.956 20 0 CHADMN C[C@H](Cc1ccccc1F)NCc1ncc(Cl)s1 ZINC000349571014 1127154107 /nfs/dbraw/zinc/15/41/07/1127154107.db2.gz UTPMMBQXVGDLAS-SECBINFHSA-N 0 1 284.787 3.656 20 0 CHADMN CC(C)n1ccc(CN[C@@H](C)c2cc3c(s2)CCC3)n1 ZINC000570993920 1127154127 /nfs/dbraw/zinc/15/41/27/1127154127.db2.gz HBOHXKRBCIHNJE-LBPRGKRZSA-N 0 1 289.448 3.865 20 0 CHADMN CCCn1nc(C)c(CN(C)Cc2cccc(C)c2)c1C ZINC000349704931 1127158251 /nfs/dbraw/zinc/15/82/51/1127158251.db2.gz DNUSTQIDFADTIL-UHFFFAOYSA-N 0 1 285.435 3.850 20 0 CHADMN Cc1nc2sccn2c1CN(C)Cc1cccc(C)c1 ZINC000349699516 1127158343 /nfs/dbraw/zinc/15/83/43/1127158343.db2.gz NKQQLQSUMDZZKQ-UHFFFAOYSA-N 0 1 285.416 3.645 20 0 CHADMN CCOC(=O)c1ccc(CN2CCC[C@@H]2c2ccccc2)o1 ZINC000349750060 1127159043 /nfs/dbraw/zinc/15/90/43/1127159043.db2.gz SOAGWKDOQJBMBE-MRXNPFEDSA-N 0 1 299.370 3.793 20 0 CHADMN Cc1[nH]nc2ncc(CN(C)[C@H](C)c3ccc(F)cc3)cc12 ZINC000349730315 1127159051 /nfs/dbraw/zinc/15/90/51/1127159051.db2.gz PLXHUEPXMKXWAR-GFCCVEGCSA-N 0 1 298.365 3.598 20 0 CHADMN Cc1cc([C@H](C)NCC(C)(C)c2cccs2)no1 ZINC000283863511 1127160418 /nfs/dbraw/zinc/16/04/18/1127160418.db2.gz BOSRDMAFIIQHKA-NSHDSACASA-N 0 1 264.394 3.673 20 0 CHADMN Cc1ccc2nc(CN[C@H]3C[C@H](C)c4ccccc43)cn2c1 ZINC000283867418 1127160921 /nfs/dbraw/zinc/16/09/21/1127160921.db2.gz IMHOYBFIAXUTEK-KSSFIOAISA-N 0 1 291.398 3.981 20 0 CHADMN Fc1ccc(-c2ccc(CN3CCSCC3)o2)cc1 ZINC000349804707 1127162122 /nfs/dbraw/zinc/16/21/22/1127162122.db2.gz QXPHETONAUDSDM-UHFFFAOYSA-N 0 1 277.364 3.635 20 0 CHADMN CC(C)(C)C(=O)Nc1ccccc1CN1CC(C)(C)C1 ZINC001237396563 1131094461 /nfs/dbraw/zinc/09/44/61/1131094461.db2.gz OBPODRNYOPRHFN-UHFFFAOYSA-N 0 1 274.408 3.513 20 0 CHADMN CC(C)(CF)NCc1cnc(-c2cccs2)s1 ZINC000349822463 1127164203 /nfs/dbraw/zinc/16/42/03/1127164203.db2.gz PNIYSTQUNUKWHJ-UHFFFAOYSA-N 0 1 270.398 3.709 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN(Cc2ccn(C)c2)C2CC2)o1 ZINC000349916473 1127167737 /nfs/dbraw/zinc/16/77/37/1127167737.db2.gz SOXWVPLMJWHBSX-GUYCJALGSA-N 0 1 284.403 3.906 20 0 CHADMN CCCCOc1ccc([C@@H](C)NCc2c[nH]nc2C)cc1 ZINC000284068358 1127172309 /nfs/dbraw/zinc/17/23/09/1127172309.db2.gz ARLFRGFUHCVEME-CYBMUJFWSA-N 0 1 287.407 3.748 20 0 CHADMN CC(C)N(Cc1cccs1)Cc1cnc2ccccn12 ZINC000350303604 1127176140 /nfs/dbraw/zinc/17/61/40/1127176140.db2.gz WOKLFTLSIPTHKM-UHFFFAOYSA-N 0 1 285.416 3.806 20 0 CHADMN CCCCn1cc(CNCc2cc(F)ccc2C)c(C)n1 ZINC000350242502 1127176151 /nfs/dbraw/zinc/17/61/51/1127176151.db2.gz DYTJHNIZFOVLIF-UHFFFAOYSA-N 0 1 289.398 3.729 20 0 CHADMN C[C@H](NCc1ccccc1OC1CCCC1)c1cn[nH]c1 ZINC000284199967 1127178211 /nfs/dbraw/zinc/17/82/11/1127178211.db2.gz SBLUYWLOEUDFRY-ZDUSSCGKSA-N 0 1 285.391 3.582 20 0 CHADMN CSCc1cnc(CN2CCC[C@H]2C2CCC2)s1 ZINC000350971183 1127182965 /nfs/dbraw/zinc/18/29/65/1127182965.db2.gz LZTQBHOLYOGGDB-ZDUSSCGKSA-N 0 1 282.478 3.771 20 0 CHADMN c1cn(Cc2ccccc2)c(NCc2ccccc2)n1 ZINC000351541530 1127192336 /nfs/dbraw/zinc/19/23/36/1127192336.db2.gz AFLLCVANRUNOKB-UHFFFAOYSA-N 0 1 263.344 3.544 20 0 CHADMN COc1ccnc(CN(Cc2ccc(C)c(C)c2)C2CC2)c1 ZINC000572109003 1127192906 /nfs/dbraw/zinc/19/29/06/1127192906.db2.gz MHWASJBESQLSKG-UHFFFAOYSA-N 0 1 296.414 3.872 20 0 CHADMN Cc1ccc(-c2noc(CN3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000588771125 1127193587 /nfs/dbraw/zinc/19/35/87/1127193587.db2.gz ANYBLBXHLLDKJK-ZIAGYGMSSA-N 0 1 285.391 3.523 20 0 CHADMN Fc1ccccc1SCCN1CCc2ccccc2C1 ZINC000588770562 1127194055 /nfs/dbraw/zinc/19/40/55/1127194055.db2.gz PJXVXVHISQVUNE-UHFFFAOYSA-N 0 1 287.403 3.976 20 0 CHADMN C[C@H]1CCCCN1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000588780526 1127194470 /nfs/dbraw/zinc/19/44/70/1127194470.db2.gz SCTXXRVSHZAPFH-LBPRGKRZSA-N 0 1 295.810 3.876 20 0 CHADMN O=C([O-])c1ccoc1C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000572296061 1127197518 /nfs/dbraw/zinc/19/75/18/1127197518.db2.gz MCNHURNKGINYJD-INIZCTEOSA-N 0 1 297.354 3.630 20 0 CHADMN CCN(Cc1ccc2ccccc2c1)Cc1cnc(C)nc1 ZINC000351609404 1127198228 /nfs/dbraw/zinc/19/82/28/1127198228.db2.gz UEGMWXMOCHFLBI-UHFFFAOYSA-N 0 1 291.398 3.960 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)C(C1CCC1)C1CCC1 ZINC000351639497 1127200029 /nfs/dbraw/zinc/20/00/29/1127200029.db2.gz CEJSSIHCXKSOOJ-UHFFFAOYSA-N 0 1 283.375 3.718 20 0 CHADMN CS[C@H]1CC[C@H](N(C)Cc2ncc(C(C)C)o2)C1 ZINC001116160799 1131132347 /nfs/dbraw/zinc/13/23/47/1131132347.db2.gz AVQLGIPLWBMZEL-RYUDHWBXSA-N 0 1 268.426 3.514 20 0 CHADMN C[C@H]1SCCN(Cc2cccc(OC(C)(C)C)n2)[C@@H]1C ZINC000351685528 1127203897 /nfs/dbraw/zinc/20/38/97/1127203897.db2.gz NHNHLXCIXSLIRL-CHWSQXEVSA-N 0 1 294.464 3.585 20 0 CHADMN CN(CC(=O)Nc1ccccc1C(C)(C)C)CC(C)(C)C ZINC000588901557 1127203963 /nfs/dbraw/zinc/20/39/63/1127203963.db2.gz OXKCCBSOOGTXMR-UHFFFAOYSA-N 0 1 290.451 3.901 20 0 CHADMN CC(C)(C)Oc1cccc(CN2CCSC(C)(C)C2)n1 ZINC000351701659 1127205004 /nfs/dbraw/zinc/20/50/04/1127205004.db2.gz YZGYDVWYJSDMTG-UHFFFAOYSA-N 0 1 294.464 3.586 20 0 CHADMN CC[C@H](C)CN(CC)Cc1ncc(CSC)s1 ZINC000351720011 1127205551 /nfs/dbraw/zinc/20/55/51/1127205551.db2.gz NTVSBOJFPKDMRO-NSHDSACASA-N 0 1 272.483 3.874 20 0 CHADMN c1cc(Sc2ccccn2)oc1CN1CCCCC1 ZINC000351824176 1127210382 /nfs/dbraw/zinc/21/03/82/1127210382.db2.gz FDLYMIRVYRSUOM-UHFFFAOYSA-N 0 1 274.389 3.812 20 0 CHADMN CCC[C@H](N[C@@H](C)c1cc(C)on1)[C@H](O)c1ccccc1 ZINC000284998128 1127214244 /nfs/dbraw/zinc/21/42/44/1127214244.db2.gz GSKZJLYDHUIQIM-JLJPHGGASA-N 0 1 288.391 3.536 20 0 CHADMN CCOC(=O)c1ccc(CNC/C(C)=C/c2ccccc2)o1 ZINC000589196333 1127215098 /nfs/dbraw/zinc/21/50/98/1127215098.db2.gz AZVGVSMPMVBXDB-SDNWHVSQSA-N 0 1 299.370 3.649 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1cscc1Cl ZINC000589206534 1127216320 /nfs/dbraw/zinc/21/63/20/1127216320.db2.gz QTNBMIHFTHVTPC-JTQLQIEISA-N 0 1 263.859 3.975 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1cccn1C1CCCC1 ZINC000352348308 1127225799 /nfs/dbraw/zinc/22/57/99/1127225799.db2.gz YCFZRZCCFSWDKZ-UHFFFAOYSA-N 0 1 294.358 3.732 20 0 CHADMN Cc1cccc(CN2C[C@@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000589605593 1127229952 /nfs/dbraw/zinc/22/99/52/1127229952.db2.gz WIIAYIKEBYBFQR-LPHOPBHVSA-N 0 1 281.399 3.957 20 0 CHADMN Cc1ccc(F)cc1CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000352432665 1127232123 /nfs/dbraw/zinc/23/21/23/1127232123.db2.gz RHEIYNYAGSUPRV-SJORKVTESA-N 0 1 289.394 3.668 20 0 CHADMN Cn1nc(CN[C@@H](c2ccccc2)C2CC2)c2ccccc21 ZINC000589638946 1127232592 /nfs/dbraw/zinc/23/25/92/1127232592.db2.gz IMTQMXDNZOMAMX-IBGZPJMESA-N 0 1 291.398 3.814 20 0 CHADMN Cc1noc([C@@H]2CCCCN2CCCc2ccccc2)n1 ZINC000285681042 1127240666 /nfs/dbraw/zinc/24/06/66/1127240666.db2.gz NYEOQCAGBVIJLO-INIZCTEOSA-N 0 1 285.391 3.538 20 0 CHADMN C[C@@H](NCCSc1ccccc1)c1c(F)cncc1F ZINC000285792722 1127243315 /nfs/dbraw/zinc/24/33/15/1127243315.db2.gz UAIWPBLSYMTETO-LLVKDONJSA-N 0 1 294.370 3.803 20 0 CHADMN CCOCc1ccc(CN[C@H](C)c2cc(C)ccn2)cc1 ZINC000285827522 1127243767 /nfs/dbraw/zinc/24/37/67/1127243767.db2.gz WSKVUGJENUOPGB-OAHLLOKOSA-N 0 1 284.403 3.777 20 0 CHADMN Cc1ccnc([C@H](C)N[C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000285820319 1127244295 /nfs/dbraw/zinc/24/42/95/1127244295.db2.gz WHSKFKNXPXMLHZ-KGLIPLIRSA-N 0 1 298.386 3.573 20 0 CHADMN CN(Cc1csc(-c2ccc(O)cc2)n1)C(C)(C)C ZINC001237981369 1131158565 /nfs/dbraw/zinc/15/85/65/1131158565.db2.gz SCOZJHCKVOAEBQ-UHFFFAOYSA-N 0 1 276.405 3.746 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CCC3(CCCC3)C2)cc1Cl ZINC001237987796 1131158680 /nfs/dbraw/zinc/15/86/80/1131158680.db2.gz DRZSBTVDNRUQTF-UHFFFAOYSA-N 0 1 283.774 3.951 20 0 CHADMN C[S@@](=O)c1ccc(CN2CCC(C(C)(C)C)CC2)cc1 ZINC000352911781 1127250500 /nfs/dbraw/zinc/25/05/00/1127250500.db2.gz ASQCVRIKMXSUGX-HXUWFJFHSA-N 0 1 293.476 3.682 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cc(C)ccn2)cc1 ZINC000286136563 1127260608 /nfs/dbraw/zinc/26/06/08/1127260608.db2.gz OTHIDYMILYBFQW-KGLIPLIRSA-N 0 1 270.376 3.810 20 0 CHADMN CC[C@@H](N[C@@H](CCO)c1ccco1)c1cccc(C)c1 ZINC000286174713 1127261723 /nfs/dbraw/zinc/26/17/23/1127261723.db2.gz QBDAZJTZRLZMOH-CVEARBPZSA-N 0 1 273.376 3.752 20 0 CHADMN C[C@@H](NCc1cc(F)ccc1F)c1ccc2n[nH]cc2c1 ZINC000353114341 1127262043 /nfs/dbraw/zinc/26/20/43/1127262043.db2.gz VRYHKBJOXSWZAY-SNVBAGLBSA-N 0 1 287.313 3.692 20 0 CHADMN CCCOc1ccc(CNCc2ccc(C)cn2)c(C)c1 ZINC000353202039 1127264108 /nfs/dbraw/zinc/26/41/08/1127264108.db2.gz AAFKLYFDNRIVMJ-UHFFFAOYSA-N 0 1 284.403 3.777 20 0 CHADMN c1cc2ccc(CNCc3coc4ccccc34)nc2[nH]1 ZINC000353210455 1127264920 /nfs/dbraw/zinc/26/49/20/1127264920.db2.gz LZWUUQKBOHYXHS-UHFFFAOYSA-N 0 1 277.327 3.599 20 0 CHADMN C[C@H]1CCCN1Cc1nc2cc(Br)ccc2o1 ZINC000286643258 1127270925 /nfs/dbraw/zinc/27/09/25/1127270925.db2.gz ZYSXAPVBTOZCAZ-VIFPVBQESA-N 0 1 295.180 3.575 20 0 CHADMN [O-]c1cc(F)c(C[N@@H+](CC2CC2)C2CC2)cc1Cl ZINC001238154602 1131175924 /nfs/dbraw/zinc/17/59/24/1131175924.db2.gz LGZLBROLAYMKRI-UHFFFAOYSA-N 0 1 269.747 3.559 20 0 CHADMN COc1ccc(CN(C)Cc2cc(C)ccc2OC)cc1C ZINC000590787333 1127273201 /nfs/dbraw/zinc/27/32/01/1127273201.db2.gz NJNKEQPIZIMAFI-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN Cc1cc2cc(CN[C@@H](C)c3ccc(F)cn3)ccc2[nH]1 ZINC000353801958 1127274651 /nfs/dbraw/zinc/27/46/51/1127274651.db2.gz GWVFOAZISUJDPB-LBPRGKRZSA-N 0 1 283.350 3.861 20 0 CHADMN Fc1ccc(-c2nc(CN3C4CCC3CC4)co2)cc1F ZINC000590818279 1127275344 /nfs/dbraw/zinc/27/53/44/1127275344.db2.gz HMYWNIISSOCMAS-UHFFFAOYSA-N 0 1 290.313 3.747 20 0 CHADMN C[C@H]1C[C@H](NCc2nccc(C(F)F)n2)CC(C)(C)C1 ZINC000286934498 1127275743 /nfs/dbraw/zinc/27/57/43/1127275743.db2.gz GLTNKVLOILNZPP-QWRGUYRKSA-N 0 1 283.366 3.719 20 0 CHADMN Cc1cccc2ncc(CN3CCC[C@H]4CCCC[C@H]43)n21 ZINC000353894581 1127276641 /nfs/dbraw/zinc/27/66/41/1127276641.db2.gz DSQVKGTURRXPNP-NVXWUHKLSA-N 0 1 283.419 3.797 20 0 CHADMN CC(C)c1cc(CN2CC(C3COC3)C2)ccc1Cl ZINC001238219955 1131182947 /nfs/dbraw/zinc/18/29/47/1131182947.db2.gz RUKDYXUHPMXFMW-UHFFFAOYSA-N 0 1 279.811 3.542 20 0 CHADMN CC(C)c1cc(CN2C[C@@H](O)CC[C@H]2C)ccc1Cl ZINC001238217672 1131183252 /nfs/dbraw/zinc/18/32/52/1131183252.db2.gz JDUGSYFXFZXTIY-OCCSQVGLSA-N 0 1 281.827 3.809 20 0 CHADMN Cc1cccc(-c2noc(CN3[C@@H](C)CCC[C@@H]3C)n2)c1 ZINC000591082827 1127285518 /nfs/dbraw/zinc/28/55/18/1127285518.db2.gz RVBDJXHLKDURCM-KBPBESRZSA-N 0 1 285.391 3.808 20 0 CHADMN C[C@@H](C(=O)c1c[nH]c2ncccc12)N1CC[C@@H](C)C(C)(C)C1 ZINC000354001069 1127284749 /nfs/dbraw/zinc/28/47/49/1127284749.db2.gz GMGQWSJXHZDRBU-OLZOCXBDSA-N 0 1 299.418 3.502 20 0 CHADMN C[C@H]1CN(Cc2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 ZINC000354025411 1127286279 /nfs/dbraw/zinc/28/62/79/1127286279.db2.gz DDVULOXLOVQFMD-IFXJQAMLSA-N 0 1 295.382 3.651 20 0 CHADMN C[C@@H]1CCN(Cc2nc(-c3ccsc3)no2)CC1(C)C ZINC000354043167 1127288506 /nfs/dbraw/zinc/28/85/06/1127288506.db2.gz WCSHBEJTSHJVHX-LLVKDONJSA-N 0 1 291.420 3.666 20 0 CHADMN CN(Cc1ccc(Cl)s1)Cc1ccc(O)cc1 ZINC000354137121 1127295885 /nfs/dbraw/zinc/29/58/85/1127295885.db2.gz LUUWQUCCZZGSJC-UHFFFAOYSA-N 0 1 267.781 3.739 20 0 CHADMN FC(F)c1ccnc(CNC2CCCCCCC2)n1 ZINC000287223412 1127297251 /nfs/dbraw/zinc/29/72/51/1127297251.db2.gz XRKIGNGKIKPLAJ-UHFFFAOYSA-N 0 1 269.339 3.617 20 0 CHADMN Cc1cc(-c2noc([C@@H]3CC[C@@H]4C[C@@H]4C3)n2)cc2nc[nH]c21 ZINC000573233986 1127304574 /nfs/dbraw/zinc/30/45/74/1127304574.db2.gz KVSMOUHPJFAUPJ-IJLUTSLNSA-N 0 1 294.358 3.825 20 0 CHADMN CC[C@H](NCc1cnccc1OC)c1cccc(Cl)c1 ZINC000287644999 1127310969 /nfs/dbraw/zinc/31/09/69/1127310969.db2.gz GKKSYRIXRTZFSR-HNNXBMFYSA-N 0 1 290.794 3.985 20 0 CHADMN Oc1cccnc1C[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000573486723 1127316337 /nfs/dbraw/zinc/31/63/37/1127316337.db2.gz OUIPXZICUQSMFX-KRWDZBQOSA-N 0 1 296.414 3.775 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000573486723 1127316340 /nfs/dbraw/zinc/31/63/40/1127316340.db2.gz OUIPXZICUQSMFX-KRWDZBQOSA-N 0 1 296.414 3.775 20 0 CHADMN [O-]c1cccnc1C[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000573486723 1127316344 /nfs/dbraw/zinc/31/63/44/1127316344.db2.gz OUIPXZICUQSMFX-KRWDZBQOSA-N 0 1 296.414 3.775 20 0 CHADMN Cc1cccc2c1CC[C@H]2NCc1nn(C)c2ccccc12 ZINC000591725679 1127314605 /nfs/dbraw/zinc/31/46/05/1127314605.db2.gz SBGVJZKADJLPPG-QGZVFWFLSA-N 0 1 291.398 3.659 20 0 CHADMN C[C@H](N(C)Cc1cc(F)c(F)cc1F)C1(C)CC1 ZINC000355112025 1127317502 /nfs/dbraw/zinc/31/75/02/1127317502.db2.gz RDIHICGYNZSREC-VIFPVBQESA-N 0 1 257.299 3.724 20 0 CHADMN Cc1noc(C)c1CNC1(c2ccc(C)cc2)CCC1 ZINC000646129705 1127319192 /nfs/dbraw/zinc/31/91/92/1127319192.db2.gz FIFARGQBRPOXGH-UHFFFAOYSA-N 0 1 270.376 3.769 20 0 CHADMN CCO[C@@H]1C[C@H](N(C)Cc2nc(C)cs2)C1(CC)CC ZINC000355135124 1127320129 /nfs/dbraw/zinc/32/01/29/1127320129.db2.gz NPSMXSQWTIHEAX-UONOGXRCSA-N 0 1 296.480 3.867 20 0 CHADMN C[C@@H]1CCC[C@@]1(C)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000573675558 1127322691 /nfs/dbraw/zinc/32/26/91/1127322691.db2.gz OVRTZUFUKQKAKX-QLJPJBMISA-N 0 1 282.347 3.691 20 0 CHADMN CC(C)n1cc(CN2CC=C(C(C)(C)C)CC2)cn1 ZINC000355200502 1127324149 /nfs/dbraw/zinc/32/41/49/1127324149.db2.gz RRIPWYWPFBSFMO-UHFFFAOYSA-N 0 1 261.413 3.642 20 0 CHADMN CC(C)c1nc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)cs1 ZINC000355206281 1127325147 /nfs/dbraw/zinc/32/51/47/1127325147.db2.gz LZIUZNYAEQCKNI-ZIAGYGMSSA-N 0 1 294.464 3.515 20 0 CHADMN Cc1cc(CN2C[C@@H](C)O[C@H](C3CC3)C2)cc2cccnc12 ZINC000355212805 1127325315 /nfs/dbraw/zinc/32/53/15/1127325315.db2.gz DVHCBVBRRAQMKY-KDOFPFPSSA-N 0 1 296.414 3.543 20 0 CHADMN CC(C)CO[C@@H]1CCN(Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000355269088 1127329756 /nfs/dbraw/zinc/32/97/56/1127329756.db2.gz GZWOKHMRYMEGQN-IIAWOOMASA-N 0 1 277.408 3.650 20 0 CHADMN C[C@@H](OC(=O)Cc1[nH]nc2ccccc21)c1cccc(F)c1 ZINC000058317392 1127333391 /nfs/dbraw/zinc/33/33/91/1127333391.db2.gz IYRDYOXPLMEXIP-LLVKDONJSA-N 0 1 298.317 3.549 20 0 CHADMN Cc1n[nH]c(C)c1CN1CCc2c(cccc2C(C)C)C1 ZINC000355348388 1127334537 /nfs/dbraw/zinc/33/45/37/1127334537.db2.gz YOGQGADVGWBWOA-UHFFFAOYSA-N 0 1 283.419 3.708 20 0 CHADMN Cc1[nH]ncc1CNc1ccccc1O[C@H](C)C(F)(F)F ZINC000288379542 1127335585 /nfs/dbraw/zinc/33/55/85/1127335585.db2.gz FUWWSHLAOSIFSF-SNVBAGLBSA-N 0 1 299.296 3.660 20 0 CHADMN C[C@@H]1CCN(Cc2cnc([C@@H]3CCCO3)s2)CC1(C)C ZINC000355526206 1127347065 /nfs/dbraw/zinc/34/70/65/1127347065.db2.gz GKWJCYCCWMPTAM-OCCSQVGLSA-N 0 1 294.464 3.863 20 0 CHADMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1sccc1Cl ZINC000355559305 1127348535 /nfs/dbraw/zinc/34/85/35/1127348535.db2.gz UULVPFAJXCMFHE-UHFFFAOYSA-N 0 1 295.726 3.669 20 0 CHADMN COc1ccc2oc([C@@H](C)NCc3cc(C)n[nH]3)c(C)c2c1 ZINC000592458894 1127350994 /nfs/dbraw/zinc/35/09/94/1127350994.db2.gz DHUUBDPTDLLMRU-GFCCVEGCSA-N 0 1 299.374 3.632 20 0 CHADMN COc1ccc2oc([C@@H](C)NCc3cc(C)[nH]n3)c(C)c2c1 ZINC000592458894 1127350996 /nfs/dbraw/zinc/35/09/96/1127350996.db2.gz DHUUBDPTDLLMRU-GFCCVEGCSA-N 0 1 299.374 3.632 20 0 CHADMN CO[C@@]1(C)CCCN(Cc2csc(C(C)C)n2)CC1 ZINC000355590354 1127352445 /nfs/dbraw/zinc/35/24/45/1127352445.db2.gz ZYTLALSHLFKTKB-HNNXBMFYSA-N 0 1 282.453 3.658 20 0 CHADMN Cc1nccc(N(C)C[C@H](C)c2nccs2)c1Cl ZINC000355666254 1127357175 /nfs/dbraw/zinc/35/71/75/1127357175.db2.gz ILGOUIIZNYZSKQ-VIFPVBQESA-N 0 1 281.812 3.740 20 0 CHADMN CCC[C@@]1(CO)CCN([C@H](C)c2c(F)cccc2F)C1 ZINC000288944548 1127367986 /nfs/dbraw/zinc/36/79/86/1127367986.db2.gz XAQMFIVFMLBVNY-MLGOLLRUSA-N 0 1 283.362 3.510 20 0 CHADMN CCCN(Cc1cnc([C@H](C)O)s1)Cc1ccccc1 ZINC000288995501 1127369254 /nfs/dbraw/zinc/36/92/54/1127369254.db2.gz DNXHRXIIPBFFGH-ZDUSSCGKSA-N 0 1 290.432 3.609 20 0 CHADMN Cc1cccc2nc(CN[C@@H]3C[C@@H](C)c4ccccc43)cn21 ZINC000289169778 1127375717 /nfs/dbraw/zinc/37/57/17/1127375717.db2.gz HOTXTKBQAAKVEQ-FZKQIMNGSA-N 0 1 291.398 3.981 20 0 CHADMN C[C@@H](O)c1ncc(CN[C@H](C)c2ccc(Cl)cc2)s1 ZINC000289315151 1127380987 /nfs/dbraw/zinc/38/09/87/1127380987.db2.gz SNYOETJJNDOZFN-NXEZZACHSA-N 0 1 296.823 3.701 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@H](C)c2ncc(C)o2)C1(CC)CC ZINC000356289735 1127381280 /nfs/dbraw/zinc/38/12/80/1127381280.db2.gz ULFNITSRPLPTCQ-HZSPNIEDSA-N 0 1 280.412 3.617 20 0 CHADMN C/C=C/C=C/c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000357065198 1127387361 /nfs/dbraw/zinc/38/73/61/1127387361.db2.gz IVFXSTMXQLRREG-YTXTXJHMSA-N 0 1 287.338 3.527 20 0 CHADMN CSC1(CNCc2c(F)cc(F)c(F)c2F)CCC1 ZINC000356401419 1127382963 /nfs/dbraw/zinc/38/29/63/1127382963.db2.gz WMTJSSVEKLAUOI-UHFFFAOYSA-N 0 1 293.329 3.618 20 0 CHADMN C[C@H]1CCCN(Cc2ccn(C3CCCC3)n2)[C@H]1C ZINC000357301348 1127388795 /nfs/dbraw/zinc/38/87/95/1127388795.db2.gz GDVNETSQZPTZSV-KBPBESRZSA-N 0 1 261.413 3.619 20 0 CHADMN Cc1nccc(N2CCC(F)(F)[C@@H](C)C2)c1Cl ZINC000357598791 1127392474 /nfs/dbraw/zinc/39/24/74/1127392474.db2.gz SIYSALDSCAKTSD-QMMMGPOBSA-N 0 1 260.715 3.525 20 0 CHADMN CSC(C)(C)CCN1CCc2c(F)cc(F)cc2C1 ZINC001308620756 1127398975 /nfs/dbraw/zinc/39/89/75/1127398975.db2.gz BIASYYNWVFCUCB-UHFFFAOYSA-N 0 1 285.403 3.855 20 0 CHADMN CSc1ccccc1CN1CCc2ccccc2[C@@H]1CO ZINC000358049783 1127399889 /nfs/dbraw/zinc/39/98/89/1127399889.db2.gz OLDNBBAOYOOYLB-KRWDZBQOSA-N 0 1 299.439 3.500 20 0 CHADMN CO[C@H](CN[C@H](C)c1csc(C)n1)c1ccc(F)cc1 ZINC000358187581 1127406959 /nfs/dbraw/zinc/40/69/59/1127406959.db2.gz KDYNACLKLAIURS-MEBBXXQBSA-N 0 1 294.395 3.629 20 0 CHADMN CCCCCn1cc(CN[C@@H](C)c2cncs2)c(C)n1 ZINC000358239886 1127410461 /nfs/dbraw/zinc/41/04/61/1127410461.db2.gz PHUSNJGOBDCYLB-ZDUSSCGKSA-N 0 1 292.452 3.689 20 0 CHADMN CC[C@H](NC(=O)C(F)(F)C(F)F)c1ccc(Cl)cc1 ZINC000226600655 1127411974 /nfs/dbraw/zinc/41/19/74/1127411974.db2.gz XLTWDVGLVBOKPK-VIFPVBQESA-N 0 1 297.679 3.808 20 0 CHADMN CCc1nc([C@H](C)N[C@H](C)c2ccc3ccccc3c2)n[nH]1 ZINC000358268495 1127412100 /nfs/dbraw/zinc/41/21/00/1127412100.db2.gz RXDRFSCPMBRNDO-OLZOCXBDSA-N 0 1 294.402 3.932 20 0 CHADMN CC(C)c1nnc(CN[C@@H](C)CC2CCCC2)s1 ZINC000358282765 1127412835 /nfs/dbraw/zinc/41/28/35/1127412835.db2.gz FXTWWOMZARBQAM-NSHDSACASA-N 0 1 267.442 3.720 20 0 CHADMN CC(C)c1nnc(CN[C@H](C)CC2CCCC2)s1 ZINC000358282763 1127413029 /nfs/dbraw/zinc/41/30/29/1127413029.db2.gz FXTWWOMZARBQAM-LLVKDONJSA-N 0 1 267.442 3.720 20 0 CHADMN CCSc1ccc([C@H](C)NCc2cc(C)ncn2)cc1 ZINC000358351867 1127416701 /nfs/dbraw/zinc/41/67/01/1127416701.db2.gz LVJZUBIHDAFPAR-ZDUSSCGKSA-N 0 1 287.432 3.748 20 0 CHADMN CCCCn1cc(CNCc2ccc(C)c(F)c2)c(C)n1 ZINC000358519942 1127425056 /nfs/dbraw/zinc/42/50/56/1127425056.db2.gz UJGLBRGSKPFFAZ-UHFFFAOYSA-N 0 1 289.398 3.729 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C[C@@H]2CCC[C@@H](C)C2)c1 ZINC000358532951 1127425191 /nfs/dbraw/zinc/42/51/91/1127425191.db2.gz VAYLLUQFQGPTHB-DGCLKSJQSA-N 0 1 289.375 3.750 20 0 CHADMN CC[C@H](N[C@@H]1CCc2cccnc21)c1ccccc1OC ZINC000226807877 1127426186 /nfs/dbraw/zinc/42/61/86/1127426186.db2.gz XWPYQQSIWCDBMZ-JKSUJKDBSA-N 0 1 282.387 3.818 20 0 CHADMN CC[C@@H](N[C@H]1CCc2cccnc21)c1ccccc1OC ZINC000226807884 1127426349 /nfs/dbraw/zinc/42/63/49/1127426349.db2.gz XWPYQQSIWCDBMZ-CVEARBPZSA-N 0 1 282.387 3.818 20 0 CHADMN C[C@@H](Sc1nc(Cc2ccccc2)n[nH]1)c1cccnc1 ZINC000358554263 1127426704 /nfs/dbraw/zinc/42/67/04/1127426704.db2.gz CAZIYICZIAKYTR-GFCCVEGCSA-N 0 1 296.399 3.644 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc([O-])c(F)c2F)CC1(C)C ZINC001308673422 1127426794 /nfs/dbraw/zinc/42/67/94/1127426794.db2.gz YDUUYKKWABIAFL-SNVBAGLBSA-N 0 1 269.335 3.538 20 0 CHADMN CC(C)Oc1cccc(CN[C@H](C)c2cncc(F)c2)c1 ZINC000358987925 1127442932 /nfs/dbraw/zinc/44/29/32/1127442932.db2.gz ITMCZRDVPUVUFO-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN CC1(C)CN(Cc2[nH]nc3ccccc32)[C@H]1c1ccncc1 ZINC000646216500 1127451710 /nfs/dbraw/zinc/45/17/10/1127451710.db2.gz ZDQQHVLOAGSDON-KRWDZBQOSA-N 0 1 292.386 3.541 20 0 CHADMN c1ccc([C@H]2C[C@@H]2CSc2nc(C3CC3)n[nH]2)cc1 ZINC000359163892 1127452104 /nfs/dbraw/zinc/45/21/04/1127452104.db2.gz XJHJWYHJZBMTKO-CHWSQXEVSA-N 0 1 271.389 3.578 20 0 CHADMN c1ccc([C@H]2C[C@@H]2CSc2n[nH]c(C3CC3)n2)cc1 ZINC000359163892 1127452106 /nfs/dbraw/zinc/45/21/06/1127452106.db2.gz XJHJWYHJZBMTKO-CHWSQXEVSA-N 0 1 271.389 3.578 20 0 CHADMN Cc1ccc(-c2nnc([C@H](C)N3CC[C@@H]4C[C@@H]43)o2)cc1C ZINC000761096807 1127456390 /nfs/dbraw/zinc/45/63/90/1127456390.db2.gz RCJFGMQUROWZKR-GUTXKFCHSA-N 0 1 283.375 3.509 20 0 CHADMN C[C@H](c1ccc(Br)cc1)N1CC[C@@H]2C[C@@H]21 ZINC000761093991 1127456763 /nfs/dbraw/zinc/45/67/63/1127456763.db2.gz MRSMDVCPIIZOGI-XWIASGKRSA-N 0 1 266.182 3.604 20 0 CHADMN CC[C@@H]1CN(Cc2csc(C)c2C)[C@@H](CC)CO1 ZINC000630072861 1127456769 /nfs/dbraw/zinc/45/67/69/1127456769.db2.gz LAMZXNXFMJOLGA-LSDHHAIUSA-N 0 1 267.438 3.754 20 0 CHADMN COc1ccc(CN[C@@H](c2cccnc2)C(C)C)c(F)c1 ZINC000359329821 1127458917 /nfs/dbraw/zinc/45/89/17/1127458917.db2.gz JSYVXVBSPDVKCX-QGZVFWFLSA-N 0 1 288.366 3.716 20 0 CHADMN CCCN(Cc1ccc(F)cc1)Cc1cc(OC)ccn1 ZINC000359395168 1127461904 /nfs/dbraw/zinc/46/19/04/1127461904.db2.gz UHMVUDHXXBJMMO-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN C[C@@H](N[C@H](c1cccnc1)C1CC1)c1ccc(Cl)cn1 ZINC000359627408 1127469841 /nfs/dbraw/zinc/46/98/41/1127469841.db2.gz CFNCWKHJGZGZJC-BZNIZROVSA-N 0 1 287.794 3.932 20 0 CHADMN CSCCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595676628 1127472155 /nfs/dbraw/zinc/47/21/55/1127472155.db2.gz QZKCLDLFXDTRHJ-ZDUSSCGKSA-N 0 1 251.395 3.560 20 0 CHADMN Cc1c(F)ccc(CN2CCC3(CCCOC3)CC2)c1F ZINC001231480671 1127475106 /nfs/dbraw/zinc/47/51/06/1127475106.db2.gz QBORLLVYOQXOCL-UHFFFAOYSA-N 0 1 295.373 3.666 20 0 CHADMN Oc1cc(F)cc(CNCc2ccc(C3CC3)cc2)c1 ZINC000359816815 1127478954 /nfs/dbraw/zinc/47/89/54/1127478954.db2.gz JVEMKAUPNNWFDH-UHFFFAOYSA-N 0 1 271.335 3.699 20 0 CHADMN CCc1cccc(C)c1NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000360022365 1127486796 /nfs/dbraw/zinc/48/67/96/1127486796.db2.gz HUAVEUAZXDOCIF-UHFFFAOYSA-N 0 1 295.342 3.793 20 0 CHADMN CSCCOc1ccc(CN2CCCC2)c(Cl)c1 ZINC000596301722 1127488321 /nfs/dbraw/zinc/48/83/21/1127488321.db2.gz NYVOVJJXOWJGSR-UHFFFAOYSA-N 0 1 285.840 3.678 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@H+]1CCOCC2(CC2)C1 ZINC000360085466 1127489372 /nfs/dbraw/zinc/48/93/72/1127489372.db2.gz BCELHWLCDVTNQN-GFCCVEGCSA-N 0 1 265.784 3.513 20 0 CHADMN C[C@H](c1cccc(Cl)c1)N1CCOCC2(CC2)C1 ZINC000360085466 1127489373 /nfs/dbraw/zinc/48/93/73/1127489373.db2.gz BCELHWLCDVTNQN-GFCCVEGCSA-N 0 1 265.784 3.513 20 0 CHADMN Cc1nccc(N2CC(c3ccccc3F)C2)c1Cl ZINC000360110646 1127489928 /nfs/dbraw/zinc/48/99/28/1127489928.db2.gz NVQJEFMRUZQDIQ-UHFFFAOYSA-N 0 1 276.742 3.786 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N(C)CCc1cnccn1 ZINC000360124615 1127490778 /nfs/dbraw/zinc/49/07/78/1127490778.db2.gz UMWDGWKLKPTZSY-NSHDSACASA-N 0 1 293.773 3.505 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2noc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000360336661 1127496715 /nfs/dbraw/zinc/49/67/15/1127496715.db2.gz KPYISWFRDVBZHY-VNHYZAJKSA-N 0 1 285.391 3.651 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H](C)c1cccs1 ZINC000360425409 1127498710 /nfs/dbraw/zinc/49/87/10/1127498710.db2.gz BJACGRSYLYILQA-SNVBAGLBSA-N 0 1 285.372 3.675 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H](C)c1ccccc1F ZINC000360440694 1127499518 /nfs/dbraw/zinc/49/95/18/1127499518.db2.gz CMSIFQDPDIQDTR-NSHDSACASA-N 0 1 297.333 3.753 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H](C)c1ccccc1F ZINC000360440693 1127499665 /nfs/dbraw/zinc/49/96/65/1127499665.db2.gz CMSIFQDPDIQDTR-LLVKDONJSA-N 0 1 297.333 3.753 20 0 CHADMN CSCC1(CCN=c2[nH]cc(C(F)(F)F)s2)CC1 ZINC000596420257 1127503396 /nfs/dbraw/zinc/50/33/96/1127503396.db2.gz RSSJGMXKKLGSLB-UHFFFAOYSA-N 0 1 296.383 3.529 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c1 ZINC000360688670 1127506323 /nfs/dbraw/zinc/50/63/23/1127506323.db2.gz KFGDIOHNHYJYGF-DUVNUKRYSA-N 0 1 297.402 3.522 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccccn1)c1ccc(C(=O)OC)cc1 ZINC000293661941 1127511122 /nfs/dbraw/zinc/51/11/22/1127511122.db2.gz JHHGQAAXABMUQC-CZUORRHYSA-N 0 1 298.386 3.670 20 0 CHADMN CCc1noc(C)c1CN[C@@H](c1cccnc1)C1CCC1 ZINC000293658690 1127511142 /nfs/dbraw/zinc/51/11/42/1127511142.db2.gz IKYQWCZXGBPFAX-QGZVFWFLSA-N 0 1 285.391 3.571 20 0 CHADMN Cc1ccnc(CN[C@H](C)C2(c3ccccc3)CCCC2)n1 ZINC000360786828 1127511283 /nfs/dbraw/zinc/51/12/83/1127511283.db2.gz LIAFKHYRBUEQJB-MRXNPFEDSA-N 0 1 295.430 3.775 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1nc3ccccc3n1C)CC2 ZINC000596690600 1127515091 /nfs/dbraw/zinc/51/50/91/1127515091.db2.gz PFINNJFVJDXOFY-INIZCTEOSA-N 0 1 291.398 3.659 20 0 CHADMN COC(=O)CCCN([C@H](C)c1ccccc1Cl)C1CC1 ZINC000360902160 1127519262 /nfs/dbraw/zinc/51/92/62/1127519262.db2.gz VMGLHNFBNWLDQB-GFCCVEGCSA-N 0 1 295.810 3.819 20 0 CHADMN Cc1cc(N[C@H](C)Cc2ccncc2)c2cc(F)ccc2n1 ZINC000360871988 1127516760 /nfs/dbraw/zinc/51/67/60/1127516760.db2.gz NBVYGMGUTXJZHD-GFCCVEGCSA-N 0 1 295.361 3.542 20 0 CHADMN Cc1ccoc1CN[C@@H]1CSCCc2ccccc21 ZINC000293839517 1127524569 /nfs/dbraw/zinc/52/45/69/1127524569.db2.gz WWUAAKBRQJKOSK-OAHLLOKOSA-N 0 1 273.401 3.708 20 0 CHADMN Cc1ccc(CN2Cc3ccccc3C(C)(C)C2)cn1 ZINC000360983573 1127526243 /nfs/dbraw/zinc/52/62/43/1127526243.db2.gz BKTCYEAPUICNAI-UHFFFAOYSA-N 0 1 266.388 3.683 20 0 CHADMN Cc1nc([C@H](C)N[C@H]2C[C@H](OC(C)C)C2(C)C)cs1 ZINC000360993380 1127526854 /nfs/dbraw/zinc/52/68/54/1127526854.db2.gz AVEJFLXBGFKVQG-BPNCWPANSA-N 0 1 282.453 3.694 20 0 CHADMN CCCc1nc(C)c(CN[C@H]2c3ccccc3C[C@H]2C)o1 ZINC000293893878 1127530748 /nfs/dbraw/zinc/53/07/48/1127530748.db2.gz ZHXOITZKVPEPHV-KZULUSFZSA-N 0 1 284.403 3.959 20 0 CHADMN Oc1ccc2c(c1)C1(CC1)CN(Cc1ccsc1)C2 ZINC000361022280 1127530821 /nfs/dbraw/zinc/53/08/21/1127530821.db2.gz KNRNXQVWJVRXFE-UHFFFAOYSA-N 0 1 271.385 3.501 20 0 CHADMN CC1=C(C)CN(Cc2cnc(C(C)C)s2)CC1 ZINC000361130356 1127541083 /nfs/dbraw/zinc/54/10/83/1127541083.db2.gz YMVPQBRXJNZKNJ-UHFFFAOYSA-N 0 1 250.411 3.809 20 0 CHADMN COCC[C@@H](N[C@H](C)c1ccccn1)c1ccccc1 ZINC000361147081 1127542312 /nfs/dbraw/zinc/54/23/12/1127542312.db2.gz RBXWPIKMVRRDCE-RHSMWYFYSA-N 0 1 270.376 3.510 20 0 CHADMN CC/C=C/CCN1CCCC[C@H]1c1nccn1CC ZINC000294040473 1127543973 /nfs/dbraw/zinc/54/39/73/1127543973.db2.gz IPSSZZMUQUYFLB-NFAHFFEMSA-N 0 1 261.413 3.786 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1cncc(C(F)(F)F)c1 ZINC000361308602 1127555430 /nfs/dbraw/zinc/55/54/30/1127555430.db2.gz BFNDVOWYDSPQDK-WDEREUQCSA-N 0 1 272.314 3.721 20 0 CHADMN C[C@@H]1CCCN(Cc2cncc(C(F)(F)F)c2)[C@@H]1C ZINC000361308599 1127555612 /nfs/dbraw/zinc/55/56/12/1127555612.db2.gz BFNDVOWYDSPQDK-GHMZBOCLSA-N 0 1 272.314 3.721 20 0 CHADMN C[C@@H]1CCCN1Cc1nc2ccc(Br)cc2o1 ZINC000361316898 1127556235 /nfs/dbraw/zinc/55/62/35/1127556235.db2.gz WUQRBEPSWQTTRQ-SECBINFHSA-N 0 1 295.180 3.575 20 0 CHADMN Fc1cccc2c1OCCN([C@H]1C[C@H]1c1ccccc1)C2 ZINC000361379372 1127560317 /nfs/dbraw/zinc/56/03/17/1127560317.db2.gz UWNGDICLTDGAJW-RDJZCZTQSA-N 0 1 283.346 3.576 20 0 CHADMN CC(=O)Nc1cccc(CN2CC[C@@H]2c2ccccc2)c1 ZINC000361399523 1127561526 /nfs/dbraw/zinc/56/15/26/1127561526.db2.gz GKPIWSXHPDVBCY-GOSISDBHSA-N 0 1 280.371 3.592 20 0 CHADMN CCOc1ccccc1N(C)Cc1[nH]nc2ccccc21 ZINC000682166822 1127561995 /nfs/dbraw/zinc/56/19/95/1127561995.db2.gz HRHCISQOJOAPRT-UHFFFAOYSA-N 0 1 281.359 3.598 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1nccn1-c1ccccc1 ZINC000361493282 1127567356 /nfs/dbraw/zinc/56/73/56/1127567356.db2.gz RDDOYJMDWWLOCV-GASCZTMLSA-N 0 1 269.392 3.635 20 0 CHADMN CN(c1nc(CN2CCC[C@H]3CCC[C@H]32)cs1)C1CC1 ZINC000361520391 1127569454 /nfs/dbraw/zinc/56/94/54/1127569454.db2.gz TYJQGCCEJCOQBS-IUODEOHRSA-N 0 1 291.464 3.506 20 0 CHADMN COCCN(Cc1c(F)cccc1F)[C@@H]1CC[C@@H](C)C1 ZINC000361630727 1127577952 /nfs/dbraw/zinc/57/79/52/1127577952.db2.gz OAVQAXOWAJUIMB-CHWSQXEVSA-N 0 1 283.362 3.602 20 0 CHADMN COCCN(Cc1csc(C2CC2)n1)[C@@H]1CC[C@@H](C)C1 ZINC000361640748 1127578473 /nfs/dbraw/zinc/57/84/73/1127578473.db2.gz VNWBSYXFTDRJAS-IUODEOHRSA-N 0 1 294.464 3.658 20 0 CHADMN C[C@H]1CCSCCN1Cc1ccc(Cl)c(F)c1 ZINC000361646029 1127579057 /nfs/dbraw/zinc/57/90/57/1127579057.db2.gz UKKKXRDHFLTAAT-JTQLQIEISA-N 0 1 273.804 3.807 20 0 CHADMN CCS[C@H](C)c1noc(CN2CCC[C@H]2CC(C)C)n1 ZINC000361646867 1127579466 /nfs/dbraw/zinc/57/94/66/1127579466.db2.gz WOGZEPIDHKTXMT-OLZOCXBDSA-N 0 1 297.468 3.894 20 0 CHADMN CC[C@@H](N[C@@H]1COc2ccc(Cl)cc21)c1ccncc1 ZINC000361762211 1127587538 /nfs/dbraw/zinc/58/75/38/1127587538.db2.gz AAKKQSPOLWPNSA-HUUCEWRRSA-N 0 1 288.778 3.909 20 0 CHADMN CCCn1nc(C)c(CN2CCc3cc(C)ccc3C2)c1C ZINC000361735601 1127584984 /nfs/dbraw/zinc/58/49/84/1127584984.db2.gz STFXFHNATMLHPR-UHFFFAOYSA-N 0 1 297.446 3.777 20 0 CHADMN CC(C)c1nc(CNCc2ccc(Cl)cc2Cl)n[nH]1 ZINC000294685884 1127591096 /nfs/dbraw/zinc/59/10/96/1127591096.db2.gz BXRDUSMETSOXJN-UHFFFAOYSA-N 0 1 299.205 3.525 20 0 CHADMN Cc1ccc2nc(CN[C@@H](C)c3ccsc3)[nH]c2c1 ZINC000361816815 1127591654 /nfs/dbraw/zinc/59/16/54/1127591654.db2.gz ZPQBAUXJCYKHNY-NSHDSACASA-N 0 1 271.389 3.784 20 0 CHADMN CSCc1cccc(CNCc2cc(C)ns2)c1 ZINC000602631587 1127601199 /nfs/dbraw/zinc/60/11/99/1127601199.db2.gz ZSAASTVLVRKGCX-UHFFFAOYSA-N 0 1 278.446 3.604 20 0 CHADMN c1nnsc1CN[C@@H](CC1CCCC1)c1ccccc1 ZINC000294886946 1127605949 /nfs/dbraw/zinc/60/59/49/1127605949.db2.gz COMGLTQOVKWLKS-INIZCTEOSA-N 0 1 287.432 3.949 20 0 CHADMN CC[C@H]1CCC[C@@H](NCc2ncc(C(F)(F)F)cn2)C1 ZINC000294962704 1127611205 /nfs/dbraw/zinc/61/12/05/1127611205.db2.gz ILRGGHRUBCCJEY-CMPLNLGQSA-N 0 1 287.329 3.554 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1cnns1 ZINC000295032205 1127615711 /nfs/dbraw/zinc/61/57/11/1127615711.db2.gz NDUKGAUUFGFCQB-QWRGUYRKSA-N 0 1 295.839 3.816 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)CC(C)(C)C1CC1 ZINC000295040607 1127615872 /nfs/dbraw/zinc/61/58/72/1127615872.db2.gz YGJDXMKPJUTRIJ-UHFFFAOYSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1ccncc1CN1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000294988207 1127612751 /nfs/dbraw/zinc/61/27/51/1127612751.db2.gz KKHAAFHXEDKYEF-WCQYABFASA-N 0 1 272.314 3.553 20 0 CHADMN CCCC[C@H](C)[C@@H](C)NCc1ncc(C(F)(F)F)cn1 ZINC000295136528 1127622853 /nfs/dbraw/zinc/62/28/53/1127622853.db2.gz ZEEGRTOAOYEYED-WDEREUQCSA-N 0 1 289.345 3.800 20 0 CHADMN Cc1cnccc1CNCc1cc(C2CC2)ccc1F ZINC000295169251 1127625334 /nfs/dbraw/zinc/62/53/34/1127625334.db2.gz UAUDPYGNQINCCP-UHFFFAOYSA-N 0 1 270.351 3.696 20 0 CHADMN CCS[C@H]1CCCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC000598588369 1127626452 /nfs/dbraw/zinc/62/64/52/1127626452.db2.gz KENXQEAFGOQFKR-AWEZNQCLSA-N 0 1 284.856 3.843 20 0 CHADMN CCS[C@H]1CCCCN(Cc2cncc(Cl)c2)C1 ZINC000598588369 1127626454 /nfs/dbraw/zinc/62/64/54/1127626454.db2.gz KENXQEAFGOQFKR-AWEZNQCLSA-N 0 1 284.856 3.843 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CC[C@H](O)CC(C)(C)C1 ZINC000295198431 1127627057 /nfs/dbraw/zinc/62/70/57/1127627057.db2.gz BNYVYSCAQJSFCS-YPMHNXCESA-N 0 1 283.362 3.509 20 0 CHADMN Cc1nn(-c2ccccc2)c(C)c1CN1CC2(C1)CCCC2 ZINC000362324613 1127627506 /nfs/dbraw/zinc/62/75/06/1127627506.db2.gz PAEMFUWQZBZIJK-UHFFFAOYSA-N 0 1 295.430 3.865 20 0 CHADMN Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc(F)c(C)c1 ZINC000362333295 1127628651 /nfs/dbraw/zinc/62/86/51/1127628651.db2.gz BYLNZDHKFMMXOW-QGZVFWFLSA-N 0 1 287.382 3.513 20 0 CHADMN Cc1ccc(-c2nnc(CN3C[C@H](C)CC[C@H]3C)o2)cc1 ZINC000362443137 1127636583 /nfs/dbraw/zinc/63/65/83/1127636583.db2.gz XFGIZYHNCSVYNR-ZIAGYGMSSA-N 0 1 285.391 3.665 20 0 CHADMN O=C(c1cccs1)C1CCN(Cc2cccs2)CC1 ZINC000362377081 1127631710 /nfs/dbraw/zinc/63/17/10/1127631710.db2.gz VIUKYGLJWPQKPK-UHFFFAOYSA-N 0 1 291.441 3.905 20 0 CHADMN Cc1ccc([C@H](N[C@H]2C[C@H](C)n3ccnc32)C2CC2)cc1 ZINC000295301102 1127632930 /nfs/dbraw/zinc/63/29/30/1127632930.db2.gz VCJKVSZYEWYYQE-JQFCIGGWSA-N 0 1 281.403 3.938 20 0 CHADMN Cc1cccc(CNCc2ccc(OC(C)C)nc2)c1F ZINC000295342468 1127636324 /nfs/dbraw/zinc/63/63/24/1127636324.db2.gz BHWRTCDYUFWZBQ-UHFFFAOYSA-N 0 1 288.366 3.606 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)N1C[C@@H]2CCC[C@H]2C1 ZINC000362488459 1127639242 /nfs/dbraw/zinc/63/92/42/1127639242.db2.gz YEZSIFXICOPNJN-WOPDTQHZSA-N 0 1 289.404 3.591 20 0 CHADMN COc1ccnc(CN[C@H](C)c2cccc(C3CC3)c2)c1 ZINC000295389249 1127640658 /nfs/dbraw/zinc/64/06/58/1127640658.db2.gz LEARYXZGRKMYHH-CYBMUJFWSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1ccsc1[C@H](CO)NCc1cc(F)cc(Cl)c1 ZINC000362516271 1127641715 /nfs/dbraw/zinc/64/17/15/1127641715.db2.gz OAYPUZUAJLKNNT-ZDUSSCGKSA-N 0 1 299.798 3.672 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnccn1)c1cccc(C2CC2)c1 ZINC000295417335 1127642550 /nfs/dbraw/zinc/64/25/50/1127642550.db2.gz NEVUZYLSDGTJBV-OLZOCXBDSA-N 0 1 267.376 3.766 20 0 CHADMN Cc1cc(CN[C@@H](CO)c2ccc(Cl)cc2)cs1 ZINC000295494697 1127645007 /nfs/dbraw/zinc/64/50/07/1127645007.db2.gz SYGOQXPNNIBHCD-AWEZNQCLSA-N 0 1 281.808 3.533 20 0 CHADMN COc1cc(C)ccc1CNCc1csc(C)c1 ZINC000295634432 1127649027 /nfs/dbraw/zinc/64/90/27/1127649027.db2.gz HUHJHXQEKYDAJO-UHFFFAOYSA-N 0 1 261.390 3.663 20 0 CHADMN C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1Cc1ccc(F)cn1 ZINC000295658488 1127649708 /nfs/dbraw/zinc/64/97/08/1127649708.db2.gz IDHXSUKQHRWESY-HBNTYKKESA-N 0 1 290.304 3.772 20 0 CHADMN CC(C)C[C@@]1(C)CCCN1C(=O)c1cccc2[nH]cnc21 ZINC000295798301 1127653451 /nfs/dbraw/zinc/65/34/51/1127653451.db2.gz NJHVZONWXKLTQT-QGZVFWFLSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1occc1CNc1ccnc2cc(F)ccc21 ZINC000603493371 1127654288 /nfs/dbraw/zinc/65/42/88/1127654288.db2.gz ZCXYOTSLVMUGOL-UHFFFAOYSA-N 0 1 256.280 3.887 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CC[C@@H](c2ccco2)C1 ZINC000603493414 1127654387 /nfs/dbraw/zinc/65/43/87/1127654387.db2.gz MUBRDXCZTBJWIN-GFCCVEGCSA-N 0 1 282.318 3.961 20 0 CHADMN COc1ccc2nc(SC3Cc4ccccc4C3)[nH]c2c1 ZINC000599122296 1127657925 /nfs/dbraw/zinc/65/79/25/1127657925.db2.gz UZDCXJCRWIBZEU-UHFFFAOYSA-N 0 1 296.395 3.831 20 0 CHADMN CCn1ccnc1[C@@H](C)NCCSc1ccc(C)cc1 ZINC000296001727 1127659542 /nfs/dbraw/zinc/65/95/42/1127659542.db2.gz OJNRYTQTPUSPGV-CQSZACIVSA-N 0 1 289.448 3.654 20 0 CHADMN CC(F)(F)CCNCc1ncc(C(C)(C)C)s1 ZINC000295993850 1127659724 /nfs/dbraw/zinc/65/97/24/1127659724.db2.gz KKQJMSREOWYZEU-UHFFFAOYSA-N 0 1 262.369 3.576 20 0 CHADMN C[C@H](N[C@@H]1CCCc2nc(Cl)ccc21)c1ccccn1 ZINC000296017673 1127660417 /nfs/dbraw/zinc/66/04/17/1127660417.db2.gz PGKIMJRPUWKENP-SMDDNHRTSA-N 0 1 287.794 3.858 20 0 CHADMN COC[C@H](NCc1ccncc1C)c1cccc(Cl)c1 ZINC000296003056 1127660464 /nfs/dbraw/zinc/66/04/64/1127660464.db2.gz KYRBYDNUMNGRHU-INIZCTEOSA-N 0 1 290.794 3.521 20 0 CHADMN c1nc(CN2CCC[C@H]2CCc2ccccc2)cs1 ZINC000363088374 1127660620 /nfs/dbraw/zinc/66/06/20/1127660620.db2.gz YICCADGNKGNVHF-INIZCTEOSA-N 0 1 272.417 3.740 20 0 CHADMN CC[C@@H](N[C@H](C)c1nccn1CC)c1ccc(OC)cc1 ZINC000296048578 1127662246 /nfs/dbraw/zinc/66/22/46/1127662246.db2.gz RANSJAVVYABCTM-CZUORRHYSA-N 0 1 287.407 3.714 20 0 CHADMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ncccc2Cl)C1 ZINC000599304125 1127666314 /nfs/dbraw/zinc/66/63/14/1127666314.db2.gz WZRAEUJXRKQHJV-NWDGAFQWSA-N 0 1 284.856 3.841 20 0 CHADMN CCS[C@@H]1CC[C@H](N(C)Cc2ncccc2Cl)C1 ZINC000599304125 1127666316 /nfs/dbraw/zinc/66/63/16/1127666316.db2.gz WZRAEUJXRKQHJV-NWDGAFQWSA-N 0 1 284.856 3.841 20 0 CHADMN CC(C)[C@@H](NCc1cnns1)c1ccc(Cl)cc1 ZINC000296259784 1127667030 /nfs/dbraw/zinc/66/70/30/1127667030.db2.gz GEAHSGWLOIRKKV-CYBMUJFWSA-N 0 1 281.812 3.678 20 0 CHADMN CC(C)[C@H]1C[C@H](NCc2n[nH]c(C3CC3)n2)c2ccccc21 ZINC000296286323 1127667226 /nfs/dbraw/zinc/66/72/26/1127667226.db2.gz FGCUSCJSROPBGM-CVEARBPZSA-N 0 1 296.418 3.656 20 0 CHADMN CCC(C)(C)C1CCC(NC(=O)[C@H]2CCCCN2C)CC1 ZINC000599302292 1127667256 /nfs/dbraw/zinc/66/72/56/1127667256.db2.gz PJGLOXCOPNWTAZ-UYSNPLJNSA-N 0 1 294.483 3.582 20 0 CHADMN Cc1ccc([C@@H]2[C@H](C)CCCN2Cc2cn(C)cn2)cc1 ZINC000659946095 1127668492 /nfs/dbraw/zinc/66/84/92/1127668492.db2.gz ZVUDVIWVNPUXSX-QAPCUYQASA-N 0 1 283.419 3.702 20 0 CHADMN Cc1cccc(Cl)c1CN[C@@H](C)c1cccnc1 ZINC000296317272 1127668719 /nfs/dbraw/zinc/66/87/19/1127668719.db2.gz OABJHKUNXSPLCK-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN CC(C)c1nc(CN[C@H]2C[C@@H](C(C)C)c3ccccc32)n[nH]1 ZINC000296393620 1127670983 /nfs/dbraw/zinc/67/09/83/1127670983.db2.gz KFCUQPOPMCYVGF-HOTGVXAUSA-N 0 1 298.434 3.902 20 0 CHADMN CCC[C@@H](C)CCCN[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000599440165 1127671453 /nfs/dbraw/zinc/67/14/53/1127671453.db2.gz MFQJPRZDZXOUDF-NEPJUHHUSA-N 0 1 298.452 3.797 20 0 CHADMN CC(C)[C@@H]1CCc2ccccc2[C@@H]1N[C@H]1CCn2ccnc21 ZINC000296615171 1127678463 /nfs/dbraw/zinc/67/84/63/1127678463.db2.gz YTUKCAPUKIVJLW-RYQLBKOJSA-N 0 1 295.430 3.877 20 0 CHADMN CC[C@H](CN[C@H]1C[C@H](C)n2ccnc21)Oc1cccc(C)c1 ZINC000296690450 1127681776 /nfs/dbraw/zinc/68/17/76/1127681776.db2.gz HDDKNWTUZIALBY-UXLLHSPISA-N 0 1 299.418 3.645 20 0 CHADMN CC[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccsc1 ZINC000296717219 1127681849 /nfs/dbraw/zinc/68/18/49/1127681849.db2.gz IMDDAMANHIGLRJ-STQMWFEESA-N 0 1 261.394 3.590 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H]2c3ccccc3CC[C@H]2C)c2nccn21 ZINC000296796482 1127683310 /nfs/dbraw/zinc/68/33/10/1127683310.db2.gz LGIBGYTTYOYWQC-BQGCOEIASA-N 0 1 281.403 3.802 20 0 CHADMN C[C@H](NCc1ccnc(C(F)(F)F)c1)c1cccc(O)c1 ZINC000296647612 1127680109 /nfs/dbraw/zinc/68/01/09/1127680109.db2.gz YQBSVWZEHQVRNV-JTQLQIEISA-N 0 1 296.292 3.657 20 0 CHADMN C[C@H](NCc1cc(C2CC2)ccc1F)c1ccncc1 ZINC000297181567 1127690186 /nfs/dbraw/zinc/69/01/86/1127690186.db2.gz DYLWSBCDYYDJLV-LBPRGKRZSA-N 0 1 270.351 3.949 20 0 CHADMN Cc1ccoc1CN[C@H]1CCCc2nc(Cl)ccc21 ZINC000297210049 1127690982 /nfs/dbraw/zinc/69/09/82/1127690982.db2.gz GPLWKVXUFUNKAY-LBPRGKRZSA-N 0 1 276.767 3.804 20 0 CHADMN Cc1cccc(NCc2ccc3nc[nH]c3c2)c1C ZINC000604063446 1127692779 /nfs/dbraw/zinc/69/27/79/1127692779.db2.gz VEZGAFBVAGHVPM-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H]1CCCc2ccc(C)cc21 ZINC000297409097 1127695488 /nfs/dbraw/zinc/69/54/88/1127695488.db2.gz SZOXKMACVLCKOO-YOEHRIQHSA-N 0 1 283.419 3.940 20 0 CHADMN Cc1cnc(C[N@H+](C)[C@H]2CCC[C@@H]2c2ccccc2)o1 ZINC000297450634 1127696787 /nfs/dbraw/zinc/69/67/87/1127696787.db2.gz HAXYYTIZGNTNGR-CVEARBPZSA-N 0 1 270.376 3.751 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H](C)c1ccc(C)c(C)c1 ZINC000297523982 1127698455 /nfs/dbraw/zinc/69/84/55/1127698455.db2.gz DDQVJHQUBKNBKY-CABCVRRESA-N 0 1 271.408 3.932 20 0 CHADMN Fc1ccc([C@H](N[C@@H]2CCn3ccnc32)C2CCC2)cc1 ZINC000297625600 1127702481 /nfs/dbraw/zinc/70/24/81/1127702481.db2.gz JBLPVGDRTDVFDW-HZPDHXFCSA-N 0 1 285.366 3.598 20 0 CHADMN COc1ccc2c(c1)CN(Cc1ccc3c(c1)CCC3)CC2 ZINC000604383823 1127703718 /nfs/dbraw/zinc/70/37/18/1127703718.db2.gz LYHPPFUXOZCFBP-UHFFFAOYSA-N 0 1 293.410 3.742 20 0 CHADMN c1cn2c(n1)[C@H](N[C@H](c1ccccc1)C1CCCC1)CC2 ZINC000297722478 1127705465 /nfs/dbraw/zinc/70/54/65/1127705465.db2.gz NGDBHAOWOLNOCH-IAGOWNOFSA-N 0 1 281.403 3.849 20 0 CHADMN Cc1oncc1CN1CCC(Cc2ccccc2F)CC1 ZINC000364637187 1127707775 /nfs/dbraw/zinc/70/77/75/1127707775.db2.gz OLRGVZNLOCSKOI-UHFFFAOYSA-N 0 1 288.366 3.577 20 0 CHADMN CC[C@H](C(=O)Nc1ccccc1-c1cccs1)N(C)C ZINC000298250714 1127717839 /nfs/dbraw/zinc/71/78/39/1127717839.db2.gz NBFHFHJPZOTYJS-CQSZACIVSA-N 0 1 288.416 3.694 20 0 CHADMN COc1ccc(CNC(C)(C)c2cccs2)c(OC)c1 ZINC000604892388 1127719059 /nfs/dbraw/zinc/71/90/59/1127719059.db2.gz QYGCXAGLCFDAIG-UHFFFAOYSA-N 0 1 291.416 3.790 20 0 CHADMN CCc1nc(S[C@H](C)c2ccccc2Cl)n[nH]1 ZINC000298538853 1127725904 /nfs/dbraw/zinc/72/59/04/1127725904.db2.gz JSGIACNXXDNQBN-MRVPVSSYSA-N 0 1 267.785 3.874 20 0 CHADMN CCc1n[nH]c(S[C@H](C)c2ccccc2Cl)n1 ZINC000298538853 1127725909 /nfs/dbraw/zinc/72/59/09/1127725909.db2.gz JSGIACNXXDNQBN-MRVPVSSYSA-N 0 1 267.785 3.874 20 0 CHADMN CCOC1(C)CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000298433482 1127723201 /nfs/dbraw/zinc/72/32/01/1127723201.db2.gz YMKDWDDHMBPRGT-LBPRGKRZSA-N 0 1 283.362 3.917 20 0 CHADMN CCCC[C@@H](CC)CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000604976247 1127723406 /nfs/dbraw/zinc/72/34/06/1127723406.db2.gz DBJPCBXJQPDSKL-LLVKDONJSA-N 0 1 290.367 3.610 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(-c3ccco3)on2)CC1 ZINC000604998926 1127725169 /nfs/dbraw/zinc/72/51/69/1127725169.db2.gz SIMOFSNSTAFCBJ-CYBMUJFWSA-N 0 1 274.364 3.947 20 0 CHADMN S=c1ncccn1CN1CCCC2(CCCCC2)C1 ZINC000171891134 1127734476 /nfs/dbraw/zinc/73/44/76/1127734476.db2.gz RNRMGQIYTXYZES-UHFFFAOYSA-N 0 1 277.437 3.616 20 0 CHADMN Clc1ccc(CNCCOC2CCCCCC2)o1 ZINC000605322939 1127733773 /nfs/dbraw/zinc/73/37/73/1127733773.db2.gz UAALBMJOTQHFQK-UHFFFAOYSA-N 0 1 271.788 3.762 20 0 CHADMN COc1ccc2c(c1)OCC[C@H]2N[C@@H]1CCCc2occc21 ZINC000365733749 1127737874 /nfs/dbraw/zinc/73/78/74/1127737874.db2.gz IPGSNNMUJUIUEF-HZPDHXFCSA-N 0 1 299.370 3.779 20 0 CHADMN COC1CCN([C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000299002690 1127737892 /nfs/dbraw/zinc/73/78/92/1127737892.db2.gz BKFPUHJWLYUZJK-SNVBAGLBSA-N 0 1 271.763 3.651 20 0 CHADMN Cc1cc(CN2CCOC[C@H]2CC(C)C)c2ccccc2n1 ZINC000605575282 1127742943 /nfs/dbraw/zinc/74/29/43/1127742943.db2.gz ZFSWQBUVRWCWBX-QGZVFWFLSA-N 0 1 298.430 3.790 20 0 CHADMN C[C@H](NCc1cnc2n1CCCC2)c1cccc(Cl)c1 ZINC000366941712 1127748597 /nfs/dbraw/zinc/74/85/97/1127748597.db2.gz BLNGXNXCVHFBGY-LBPRGKRZSA-N 0 1 289.810 3.724 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000366959184 1127749698 /nfs/dbraw/zinc/74/96/98/1127749698.db2.gz MVSLOHMDXDXFPM-JKSUJKDBSA-N 0 1 293.480 3.632 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000606377476 1127760961 /nfs/dbraw/zinc/76/09/61/1127760961.db2.gz WUABPOVNARPOQA-WFASDCNBSA-N 0 1 277.412 3.574 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000606377474 1127761130 /nfs/dbraw/zinc/76/11/30/1127761130.db2.gz WUABPOVNARPOQA-IUODEOHRSA-N 0 1 277.412 3.574 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1Cc1nnc(C(C)C)o1 ZINC000606433939 1127761581 /nfs/dbraw/zinc/76/15/81/1127761581.db2.gz DATZQQSIWGGECG-QWHCGFSZSA-N 0 1 265.401 3.594 20 0 CHADMN CCO[C@H]1CCCN([C@H](CC)c2ccc(F)cc2F)C1 ZINC000606438334 1127762881 /nfs/dbraw/zinc/76/28/81/1127762881.db2.gz LOKCWPWULJHIRA-XJKSGUPXSA-N 0 1 283.362 3.917 20 0 CHADMN CCO[C@@H](C)c1nc(CN2CC[C@@H](C(C)C)C2)cs1 ZINC000409445724 1127767071 /nfs/dbraw/zinc/76/70/71/1127767071.db2.gz QOBWIEATMYEZGF-QWHCGFSZSA-N 0 1 282.453 3.719 20 0 CHADMN CCO[C@@H]1CCCN([C@H](CC)c2ccc(F)cc2F)C1 ZINC000606438333 1127763418 /nfs/dbraw/zinc/76/34/18/1127763418.db2.gz LOKCWPWULJHIRA-CZUORRHYSA-N 0 1 283.362 3.917 20 0 CHADMN Cc1cc(CNCc2ccc(-c3cccc(F)c3C)o2)[nH]n1 ZINC000606470803 1127765025 /nfs/dbraw/zinc/76/50/25/1127765025.db2.gz WNQLYRHQKMIIOI-UHFFFAOYSA-N 0 1 299.349 3.715 20 0 CHADMN Cc1ccc(CN(C)C[C@H]2CCC3(CCCCC3)O2)o1 ZINC000409446360 1127769180 /nfs/dbraw/zinc/76/91/80/1127769180.db2.gz ACQPURPGENQTEH-MRXNPFEDSA-N 0 1 277.408 3.902 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000607155112 1127792740 /nfs/dbraw/zinc/79/27/40/1127792740.db2.gz LOBGRRGFGMCLTB-GHMZBOCLSA-N 0 1 291.782 3.620 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1C[C@@H](C)C[C@@H]1C ZINC000607155502 1127796234 /nfs/dbraw/zinc/79/62/34/1127796234.db2.gz IBCCKNXGZDMNSP-QWRGUYRKSA-N 0 1 276.405 3.942 20 0 CHADMN CC(C)N(Cc1ccn(-c2cccc(F)c2)n1)C1CCC1 ZINC000607155931 1127796321 /nfs/dbraw/zinc/79/63/21/1127796321.db2.gz CDLFPFJLUIDGRK-UHFFFAOYSA-N 0 1 287.382 3.774 20 0 CHADMN FC(F)(F)c1ccccc1[C@H]1CCCN1Cc1cnc[nH]1 ZINC000372413259 1127799206 /nfs/dbraw/zinc/79/92/06/1127799206.db2.gz IGWWJWANUWBXEK-CQSZACIVSA-N 0 1 295.308 3.766 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2ccnn2C(C)C)cc1 ZINC000410323378 1127805050 /nfs/dbraw/zinc/80/50/50/1127805050.db2.gz MKIKUEQUVOYNTN-HNNXBMFYSA-N 0 1 271.408 3.965 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CN(C)Cc3ccccc32)c(C)o1 ZINC000373054563 1127821188 /nfs/dbraw/zinc/82/11/88/1127821188.db2.gz HWBJGGAYJQMBGO-UGSOOPFHSA-N 0 1 284.403 3.734 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCC[C@H](C)[C@@H]2C)n1 ZINC000607740602 1127822684 /nfs/dbraw/zinc/82/26/84/1127822684.db2.gz CRKSDXKWDCZHHK-JSGCOSHPSA-N 0 1 285.391 3.665 20 0 CHADMN Fc1ccc([C@H]2CCC[N@@H+](Cc3ccon3)CC2)cc1 ZINC000373203784 1127828003 /nfs/dbraw/zinc/82/80/03/1127828003.db2.gz OXRHGTZNYJPGKD-ZDUSSCGKSA-N 0 1 274.339 3.583 20 0 CHADMN Fc1ccc([C@H]2CCCN(Cc3ccon3)CC2)cc1 ZINC000373203784 1127828005 /nfs/dbraw/zinc/82/80/05/1127828005.db2.gz OXRHGTZNYJPGKD-ZDUSSCGKSA-N 0 1 274.339 3.583 20 0 CHADMN Fc1cc(F)cc(-c2n[nH]c(SC3CCCC3)n2)c1 ZINC000607761303 1127828384 /nfs/dbraw/zinc/82/83/84/1127828384.db2.gz GTAONBNFKLDHLT-UHFFFAOYSA-N 0 1 281.331 3.785 20 0 CHADMN C[C@H](NC1CC(OCc2ccccc2)C1)c1nccs1 ZINC000373319501 1127833965 /nfs/dbraw/zinc/83/39/65/1127833965.db2.gz QLTXQXKKLZXHIJ-GRTSSRMGSA-N 0 1 288.416 3.542 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@H]1CCSC1)CC3 ZINC000373366889 1127837777 /nfs/dbraw/zinc/83/77/77/1127837777.db2.gz WIFRDBOYGUYIRJ-CYBMUJFWSA-N 0 1 286.444 3.588 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@@H]1CCSC1)CC3 ZINC000373366890 1127837837 /nfs/dbraw/zinc/83/78/37/1127837837.db2.gz WIFRDBOYGUYIRJ-ZDUSSCGKSA-N 0 1 286.444 3.588 20 0 CHADMN Cc1occc1CNCc1cc2cc(F)ccc2o1 ZINC000608054670 1127844881 /nfs/dbraw/zinc/84/48/81/1127844881.db2.gz LFNUNMDLTWNCND-UHFFFAOYSA-N 0 1 259.280 3.763 20 0 CHADMN Cc1ncsc1CNCc1ccc(OC(C)(C)C)cc1 ZINC000608055043 1127845413 /nfs/dbraw/zinc/84/54/13/1127845413.db2.gz YAMIAIXJYDCHKE-UHFFFAOYSA-N 0 1 290.432 3.919 20 0 CHADMN COC[C@H](N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccc(C)o1 ZINC000411517086 1127862528 /nfs/dbraw/zinc/86/25/28/1127862528.db2.gz ZLNDWAWPULXUCK-XHSDSOJGSA-N 0 1 289.350 3.560 20 0 CHADMN Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CO1 ZINC000608498750 1127871097 /nfs/dbraw/zinc/87/10/97/1127871097.db2.gz CSXRXUNMVFDNBC-LPHOPBHVSA-N 0 1 281.399 3.957 20 0 CHADMN Cc1ccccc1[C@@H]1CN(Cc2ccccc2)[C@@H](C)CO1 ZINC000608498750 1127871103 /nfs/dbraw/zinc/87/11/03/1127871103.db2.gz CSXRXUNMVFDNBC-LPHOPBHVSA-N 0 1 281.399 3.957 20 0 CHADMN CCc1cnc(C[N@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)o1 ZINC000608499279 1127871244 /nfs/dbraw/zinc/87/12/44/1127871244.db2.gz ZLRGWTOZZXYGDL-YOEHRIQHSA-N 0 1 284.403 3.863 20 0 CHADMN CCc1cnc(CN2CC[C@H](c3ccccc3)[C@@H](C)C2)o1 ZINC000608499279 1127871247 /nfs/dbraw/zinc/87/12/47/1127871247.db2.gz ZLRGWTOZZXYGDL-YOEHRIQHSA-N 0 1 284.403 3.863 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCC(C(C)C)CC2)n1 ZINC000608499797 1127871259 /nfs/dbraw/zinc/87/12/59/1127871259.db2.gz QSPGOKCBQINHLW-UHFFFAOYSA-N 0 1 299.418 3.913 20 0 CHADMN CCc1ccc([C@H]2CCC[N@H+]([C@H](C)c3nnc(C)[nH]3)C2)cc1 ZINC000411721478 1127871382 /nfs/dbraw/zinc/87/13/82/1127871382.db2.gz IJEQFYBHGOWGOY-DYVFJYSZSA-N 0 1 298.434 3.616 20 0 CHADMN CCc1ccc([C@H]2CCCN([C@H](C)c3nnc(C)[nH]3)C2)cc1 ZINC000411721478 1127871387 /nfs/dbraw/zinc/87/13/87/1127871387.db2.gz IJEQFYBHGOWGOY-DYVFJYSZSA-N 0 1 298.434 3.616 20 0 CHADMN CC(C)n1ncc2cc(CN3C4CCCC3CCC4)cnc21 ZINC000608499476 1127872197 /nfs/dbraw/zinc/87/21/97/1127872197.db2.gz LNBCUIRRDFRWFA-UHFFFAOYSA-N 0 1 298.434 3.919 20 0 CHADMN C[C@H]1CN(CCOc2ccccc2Cl)C[C@H](C)S1 ZINC000608503144 1127872943 /nfs/dbraw/zinc/87/29/43/1127872943.db2.gz OLSHRDKRTAVJRP-RYUDHWBXSA-N 0 1 285.840 3.545 20 0 CHADMN Cc1cnc(CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)o1 ZINC000608560524 1127876347 /nfs/dbraw/zinc/87/63/47/1127876347.db2.gz CDANTSMHPPBOSM-OAHLLOKOSA-N 0 1 295.386 3.844 20 0 CHADMN Cc1cc(CN2CC[C@H](c3ccccc3)C[C@H]2C)no1 ZINC000374171662 1127876375 /nfs/dbraw/zinc/87/63/75/1127876375.db2.gz DGFZZYKUBSGDHY-CJNGLKHVSA-N 0 1 270.376 3.751 20 0 CHADMN CCC[C@H]1[C@H](C)CCCN1Cc1nc2ccccc2c(=O)[nH]1 ZINC000608566549 1127877414 /nfs/dbraw/zinc/87/74/14/1127877414.db2.gz KMWJFHQWKIBENL-CJNGLKHVSA-N 0 1 299.418 3.736 20 0 CHADMN O[C@H]1C[C@H](c2ccccc2)N(Cc2ccc(Cl)cc2)C1 ZINC000411950654 1127881763 /nfs/dbraw/zinc/88/17/63/1127881763.db2.gz RFEOPCTZGGYKCW-DLBZAZTESA-N 0 1 287.790 3.648 20 0 CHADMN O[C@H]1C[C@@H](c2ccccc2)N(Cc2ccccc2Cl)C1 ZINC000411959846 1127882551 /nfs/dbraw/zinc/88/25/51/1127882551.db2.gz YPFAGCDSZPXQOR-RDJZCZTQSA-N 0 1 287.790 3.648 20 0 CHADMN C[C@@H](c1ccc(C(C)(C)C)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000608746113 1127884333 /nfs/dbraw/zinc/88/43/33/1127884333.db2.gz VTYARTUCCICFMF-RRQGHBQHSA-N 0 1 273.420 3.908 20 0 CHADMN c1cc(-c2nc(CN3CC[C@H](C4CC4)C3)cs2)co1 ZINC000374302173 1127887374 /nfs/dbraw/zinc/88/73/74/1127887374.db2.gz NIRYHBHIPZPXHI-LBPRGKRZSA-N 0 1 274.389 3.635 20 0 CHADMN CCc1nnc(CN(C)[C@@H]2CCCC[C@H]2c2ccccc2)[nH]1 ZINC000412015682 1127887413 /nfs/dbraw/zinc/88/74/13/1127887413.db2.gz UEEPKQRADGUIFB-JKSUJKDBSA-N 0 1 298.434 3.525 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N(C)C[C@H]1CCCCO1 ZINC000608756672 1127887857 /nfs/dbraw/zinc/88/78/57/1127887857.db2.gz KVAGGRILIHIGOH-CZUORRHYSA-N 0 1 283.362 3.917 20 0 CHADMN C[C@H](NCCc1ccc2ccccc2c1)c1csnn1 ZINC000412046854 1127892285 /nfs/dbraw/zinc/89/22/85/1127892285.db2.gz UVZRXYMZRLUTLC-LBPRGKRZSA-N 0 1 283.400 3.585 20 0 CHADMN C[C@@H]1CC(C)(C)CN1Cc1nnc(-c2ccccc2)s1 ZINC000412047622 1127893616 /nfs/dbraw/zinc/89/36/16/1127893616.db2.gz SSNLYCMMCVDYHP-GFCCVEGCSA-N 0 1 287.432 3.826 20 0 CHADMN O=C(CCCC1CCCCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000374444716 1127897818 /nfs/dbraw/zinc/89/78/18/1127897818.db2.gz UHUNQAWDKBICNK-HNNXBMFYSA-N 0 1 289.423 3.654 20 0 CHADMN Cc1cccc(CN[C@@H](c2cnn(C)c2)c2ccccc2)c1 ZINC000374608520 1127906701 /nfs/dbraw/zinc/90/67/01/1127906701.db2.gz BWBSGQNBQKQLCB-LJQANCHMSA-N 0 1 291.398 3.608 20 0 CHADMN C[C@@H](N[C@H]1CCc2ccc(F)cc21)c1cccc2c1OCO2 ZINC000925376193 1127902501 /nfs/dbraw/zinc/90/25/01/1127902501.db2.gz YCRRNSGCTNZVFT-BZNIZROVSA-N 0 1 299.345 3.893 20 0 CHADMN C[C@H](N[C@H]1CCc2ccc(F)cc21)c1cccc2c1OCO2 ZINC000925376195 1127903492 /nfs/dbraw/zinc/90/34/92/1127903492.db2.gz YCRRNSGCTNZVFT-ZBEGNZNMSA-N 0 1 299.345 3.893 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCC12CCCCC2 ZINC001233018615 1127910982 /nfs/dbraw/zinc/91/09/82/1127910982.db2.gz BETJTQSRYQKMOO-UHFFFAOYSA-N 0 1 293.432 3.833 20 0 CHADMN COC(=O)c1ccc(CN2CC=C(C(C)(C)C)CC2)s1 ZINC000535405462 1127914842 /nfs/dbraw/zinc/91/48/42/1127914842.db2.gz QZAFDUGXSPNVTC-UHFFFAOYSA-N 0 1 293.432 3.713 20 0 CHADMN CC(C)CCC(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000374826399 1127914834 /nfs/dbraw/zinc/91/48/34/1127914834.db2.gz LMFOXYAFCRNTPP-UHFFFAOYSA-N 0 1 272.392 3.539 20 0 CHADMN Clc1sccc1CN1CCC2(CCCOC2)CC1 ZINC001233059221 1127917314 /nfs/dbraw/zinc/91/73/14/1127917314.db2.gz MMLHABGPTLNKCI-UHFFFAOYSA-N 0 1 285.840 3.794 20 0 CHADMN CCC[C@H](NCc1nnc(C2CC2)o1)C1CCCCC1 ZINC000539490944 1127925626 /nfs/dbraw/zinc/92/56/26/1127925626.db2.gz JTKMEBBOBQOFJA-AWEZNQCLSA-N 0 1 277.412 3.786 20 0 CHADMN Cc1cccc(NC(=O)[C@H](C)N[C@@H](C)c2ccsc2)c1 ZINC000669828911 1127927989 /nfs/dbraw/zinc/92/79/89/1127927989.db2.gz UOXMYNJDFXDBGH-STQMWFEESA-N 0 1 288.416 3.734 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@@H](C)c1ccsc1 ZINC000669831246 1127930144 /nfs/dbraw/zinc/93/01/44/1127930144.db2.gz BPDQZZDVDCGFOM-NSHDSACASA-N 0 1 263.410 3.685 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@H](C)c1ccsc1 ZINC000669831245 1127930359 /nfs/dbraw/zinc/93/03/59/1127930359.db2.gz BPDQZZDVDCGFOM-LLVKDONJSA-N 0 1 263.410 3.685 20 0 CHADMN Cc1nc([C@H](C)Sc2cccc(Cl)c2)n[nH]1 ZINC000412990633 1127935897 /nfs/dbraw/zinc/93/58/97/1127935897.db2.gz GLOIXWPSHKJQMI-ZETCQYMHSA-N 0 1 253.758 3.620 20 0 CHADMN Cc1ccsc1CNc1nc2cc(F)c(F)cc2s1 ZINC000539606743 1127931721 /nfs/dbraw/zinc/93/17/21/1127931721.db2.gz NYLGXSUVLWKNMK-UHFFFAOYSA-N 0 1 296.367 3.978 20 0 CHADMN CC[C@H](C[N@@H+](C)[C@@H](C)c1nc2ccccc2s1)OC ZINC000412980586 1127935255 /nfs/dbraw/zinc/93/52/55/1127935255.db2.gz XTYBBCNMKNSGMC-NWDGAFQWSA-N 0 1 278.421 3.714 20 0 CHADMN CC[C@H](CN(C)[C@@H](C)c1nc2ccccc2s1)OC ZINC000412980586 1127935256 /nfs/dbraw/zinc/93/52/56/1127935256.db2.gz XTYBBCNMKNSGMC-NWDGAFQWSA-N 0 1 278.421 3.714 20 0 CHADMN CCOC[C@H]1CCCN(Cc2ccc(OC)cc2Cl)C1 ZINC000539825567 1127940579 /nfs/dbraw/zinc/94/05/79/1127940579.db2.gz RCUGYGROYKECHP-ZDUSSCGKSA-N 0 1 297.826 3.597 20 0 CHADMN c1c[nH]c([C@H]2CCC[N@@H+]2CCCCCOc2ccccc2)n1 ZINC000375345863 1127942131 /nfs/dbraw/zinc/94/21/31/1127942131.db2.gz SIUXFEFYRORMQO-QGZVFWFLSA-N 0 1 299.418 3.796 20 0 CHADMN c1c[nH]c([C@H]2CCCN2CCCCCOc2ccccc2)n1 ZINC000375345863 1127942137 /nfs/dbraw/zinc/94/21/37/1127942137.db2.gz SIUXFEFYRORMQO-QGZVFWFLSA-N 0 1 299.418 3.796 20 0 CHADMN CSc1ccccc1NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000413102082 1127942863 /nfs/dbraw/zinc/94/28/63/1127942863.db2.gz VACZBSHZYYBEDV-FRRDWIJNSA-N 0 1 292.448 3.608 20 0 CHADMN C[C@H]1CC2(CCC2)C[N@H+]1Cc1nccn1Cc1ccccc1 ZINC000375406661 1127943432 /nfs/dbraw/zinc/94/34/32/1127943432.db2.gz UAJNDBXCEYGHBJ-INIZCTEOSA-N 0 1 295.430 3.696 20 0 CHADMN C[C@H]1CC2(CCC2)CN1Cc1nccn1Cc1ccccc1 ZINC000375406661 1127943436 /nfs/dbraw/zinc/94/34/36/1127943436.db2.gz UAJNDBXCEYGHBJ-INIZCTEOSA-N 0 1 295.430 3.696 20 0 CHADMN CSCCN(C)Cc1cnc(C2CCCCC2)s1 ZINC000539829254 1127945209 /nfs/dbraw/zinc/94/52/09/1127945209.db2.gz MAUUODVDSNWXBY-UHFFFAOYSA-N 0 1 284.494 3.986 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(OC(F)F)cc2)CCS1 ZINC000539828247 1127945244 /nfs/dbraw/zinc/94/52/44/1127945244.db2.gz AOVTYZWLOBEZAT-UHFFFAOYSA-N 0 1 287.375 3.615 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2CCOc3c(C)cccc32)c(C)n1 ZINC000375480665 1127945884 /nfs/dbraw/zinc/94/58/84/1127945884.db2.gz GJZKHVFOYXYZTH-SUMWQHHRSA-N 0 1 297.402 3.576 20 0 CHADMN Fc1cc2c(c(F)c1)[C@@H](N[C@H]1CC[C@H]1C1CCC1)CO2 ZINC000669849339 1127950942 /nfs/dbraw/zinc/95/09/42/1127950942.db2.gz NBPXWRBALRZLDR-UBHSHLNASA-N 0 1 279.330 3.567 20 0 CHADMN Fc1cc2c(c(F)c1)[C@@H](N[C@H]1CC[C@@H]1C1CCC1)CO2 ZINC000669849340 1127950971 /nfs/dbraw/zinc/95/09/71/1127950971.db2.gz NBPXWRBALRZLDR-XBFCOCLRSA-N 0 1 279.330 3.567 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCCN(C)Cc1cc(Cl)cn1C ZINC000466958417 1127951248 /nfs/dbraw/zinc/95/12/48/1127951248.db2.gz VITPXJCPVVCIHM-CJNGLKHVSA-N 0 1 298.858 3.706 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2nc3ccc(F)cc3o2)C1 ZINC000466956388 1127951328 /nfs/dbraw/zinc/95/13/28/1127951328.db2.gz UPFABUYHFSTRQI-INIZCTEOSA-N 0 1 276.355 3.979 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(F)c(OC)cc1F ZINC001233343969 1127953004 /nfs/dbraw/zinc/95/30/04/1127953004.db2.gz IGSNEWBTNCKJFQ-LBPRGKRZSA-N 0 1 269.335 3.738 20 0 CHADMN C[C@H](N[C@@H]1COc2ccc(F)cc21)c1ccccc1 ZINC000467003461 1127953491 /nfs/dbraw/zinc/95/34/91/1127953491.db2.gz PHFAMHXOYJUYKT-XHDPSFHLSA-N 0 1 257.308 3.610 20 0 CHADMN COC(C)(C)CN(C)Cc1nc(-c2ccccc2)cs1 ZINC000539927728 1127954327 /nfs/dbraw/zinc/95/43/27/1127954327.db2.gz SWBQTJUUDSOWCY-UHFFFAOYSA-N 0 1 290.432 3.667 20 0 CHADMN COC[C@@H]1CCCC[N@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000467120579 1127955582 /nfs/dbraw/zinc/95/55/82/1127955582.db2.gz PMGINGHMTMMWEC-CHWSQXEVSA-N 0 1 283.362 3.774 20 0 CHADMN Cc1cnc([C@H](C)N2CCC[C@H](Cc3ccccc3)C2)o1 ZINC000540054342 1127959526 /nfs/dbraw/zinc/95/95/26/1127959526.db2.gz WFMLUDHAARCEKR-DOTOQJQBSA-N 0 1 284.403 3.999 20 0 CHADMN Clc1ccc2c(c1)[C@H](N[C@H]1CCCc3c[nH]nc31)CC2 ZINC000540159838 1127964399 /nfs/dbraw/zinc/96/43/99/1127964399.db2.gz GBEONOVYPXRZQG-CABCVRRESA-N 0 1 287.794 3.718 20 0 CHADMN CCc1cnc(CN(C(CC)CC)C2CC2)s1 ZINC000544349419 1127969815 /nfs/dbraw/zinc/96/98/15/1127969815.db2.gz WHDXCQDQRWUYLV-UHFFFAOYSA-N 0 1 252.427 3.859 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544440910 1127973969 /nfs/dbraw/zinc/97/39/69/1127973969.db2.gz ZYYGIMWGXTUUNI-DIOULYMOSA-N 0 1 297.389 3.755 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1cn(C)nc1C(C)(C)C ZINC000540482692 1127979916 /nfs/dbraw/zinc/97/99/16/1127979916.db2.gz CDNXHHIVYWYDGL-AWEZNQCLSA-N 0 1 297.446 3.664 20 0 CHADMN CCC[C@@H](C)CN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000540506354 1127982159 /nfs/dbraw/zinc/98/21/59/1127982159.db2.gz DTDRKUDWMPZCIH-CZUORRHYSA-N 0 1 265.372 3.635 20 0 CHADMN CC(C)[C@@H]1CCN1Cc1ccccc1OC(F)F ZINC000540502670 1127982841 /nfs/dbraw/zinc/98/28/41/1127982841.db2.gz QZCOVYMTWXPJES-LBPRGKRZSA-N 0 1 255.308 3.518 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@@H]1COc2ccc(F)cc21 ZINC000468033130 1127988125 /nfs/dbraw/zinc/98/81/25/1127988125.db2.gz GTGGCEZECPRHFM-HZPDHXFCSA-N 0 1 299.345 3.545 20 0 CHADMN CC(C)Cc1noc(-c2ccc3[nH]c(C(F)F)nc3c2)n1 ZINC000544921938 1127990745 /nfs/dbraw/zinc/99/07/45/1127990745.db2.gz CEEMLDVRQRPUSF-UHFFFAOYSA-N 0 1 292.289 3.749 20 0 CHADMN CCC(=Cc1nc(-c2ccc3[nH]cnc3c2)no1)CC ZINC000544998903 1127995617 /nfs/dbraw/zinc/99/56/17/1127995617.db2.gz MJAQLVOXIOPVBY-UHFFFAOYSA-N 0 1 268.320 3.816 20 0 CHADMN Cc1ccc(-c2cc(-c3nc([C@H]4C[C@@H]4C)no3)[nH]n2)cc1 ZINC000545064640 1127998233 /nfs/dbraw/zinc/99/82/33/1127998233.db2.gz PNOSFCNGNFFYCZ-JQWIXIFHSA-N 0 1 280.331 3.559 20 0 CHADMN CC1(C)CC[C@@H](C(=O)Nc2cccc(Cl)c2O)C1 ZINC000541049758 1128006442 /nfs/dbraw/zinc/00/64/42/1128006442.db2.gz VJEDALNMMDKGEO-SECBINFHSA-N 0 1 267.756 3.810 20 0 CHADMN C[C@@H]1CC[C@@]2(CCN(Cc3ncc(C(C)(C)C)o3)C2)C1 ZINC000541019228 1128005629 /nfs/dbraw/zinc/00/56/29/1128005629.db2.gz CUAOLEKJMHEBSV-CXAGYDPISA-N 0 1 276.424 3.984 20 0 CHADMN CO[C@@H](C)CN([C@H](C)c1ccccc1Cl)C1CC1 ZINC000541069546 1128006830 /nfs/dbraw/zinc/00/68/30/1128006830.db2.gz DMDRGHIBIYGFFK-NWDGAFQWSA-N 0 1 267.800 3.900 20 0 CHADMN C[C@@H]1CCN(Cc2cc(F)cc3c2OCOC3)CC1(C)C ZINC000545419359 1128013975 /nfs/dbraw/zinc/01/39/75/1128013975.db2.gz NXTGURNQBIIKAI-GFCCVEGCSA-N 0 1 293.382 3.560 20 0 CHADMN CO[C@H]1CCC[C@@H]1Sc1nc2ccc(C)cc2[nH]1 ZINC000541409573 1128022813 /nfs/dbraw/zinc/02/28/13/1128022813.db2.gz XVHSRWIQHBCHNS-STQMWFEESA-N 0 1 262.378 3.531 20 0 CHADMN CC(=O)c1ccccc1OCCN(C)Cc1ccc(C)cc1 ZINC000301603517 1128023497 /nfs/dbraw/zinc/02/34/97/1128023497.db2.gz APLJRHOCLQFFNC-UHFFFAOYSA-N 0 1 297.398 3.708 20 0 CHADMN Fc1ccc([C@@H](NCCC2CCCC2)c2cnccn2)cc1 ZINC000541566440 1128027660 /nfs/dbraw/zinc/02/76/60/1128027660.db2.gz SWHAUMOLBBDJDF-GOSISDBHSA-N 0 1 299.393 3.875 20 0 CHADMN CCc1oc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc1C ZINC000545749646 1128031952 /nfs/dbraw/zinc/03/19/52/1128031952.db2.gz PEEBMSOZGDBWNA-UHFFFAOYSA-N 0 1 294.314 3.744 20 0 CHADMN CC[C@H](N[C@H]1CCc2c1cccc2Cl)c1ccn(C)n1 ZINC000541743039 1128036973 /nfs/dbraw/zinc/03/69/73/1128036973.db2.gz BHXLASVPGABIFK-GJZGRUSLSA-N 0 1 289.810 3.802 20 0 CHADMN Fc1ccccc1CCN1CCc2[nH]c3ccccc3c2C1 ZINC000469245415 1128038994 /nfs/dbraw/zinc/03/89/94/1128038994.db2.gz YXLFTJJMXTXTOH-UHFFFAOYSA-N 0 1 294.373 3.908 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)CCc1cccc(C)c1 ZINC000541849240 1128040261 /nfs/dbraw/zinc/04/02/61/1128040261.db2.gz DCVQCZYQNASYCJ-UHFFFAOYSA-N 0 1 293.317 3.535 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2ccccc2C)n1 ZINC000155531290 1128040736 /nfs/dbraw/zinc/04/07/36/1128040736.db2.gz WCNAOINPGASNES-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN CC[C@@H](COC(=O)c1c(C)n[nH]c1C(C)C)CC(F)F ZINC001327110184 1128042746 /nfs/dbraw/zinc/04/27/46/1128042746.db2.gz OOEHATIAIQOIAB-SNVBAGLBSA-N 0 1 288.338 3.680 20 0 CHADMN CN(Cc1ccccc1F)C[C@H](O)c1ccccc1Cl ZINC000046037548 1128051313 /nfs/dbraw/zinc/05/13/13/1128051313.db2.gz FCDBWDNVJFJIPP-INIZCTEOSA-N 0 1 293.769 3.645 20 0 CHADMN C[C@@H](Cc1ccsc1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000542152242 1128053452 /nfs/dbraw/zinc/05/34/52/1128053452.db2.gz OHEHIBYSXUMMHN-JTQLQIEISA-N 0 1 275.339 3.874 20 0 CHADMN C[C@@H](Cc1ccsc1)N1CC=C(C(F)(F)F)CC1 ZINC000542152242 1128053459 /nfs/dbraw/zinc/05/34/59/1128053459.db2.gz OHEHIBYSXUMMHN-JTQLQIEISA-N 0 1 275.339 3.874 20 0 CHADMN CCN(Cc1ccoc1)C[C@H]1CCC2(CCCC2)O1 ZINC000669928474 1128058119 /nfs/dbraw/zinc/05/81/19/1128058119.db2.gz KRPPEKHTSQSCAB-OAHLLOKOSA-N 0 1 263.381 3.593 20 0 CHADMN Cc1nc(C2(NC[C@H]3CCCC[C@H]3C)CCCCC2)no1 ZINC000542248216 1128058665 /nfs/dbraw/zinc/05/86/65/1128058665.db2.gz ZWBFYWSSLNIMNP-UKRRQHHQSA-N 0 1 291.439 3.953 20 0 CHADMN CCCCCN1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000470211680 1128065983 /nfs/dbraw/zinc/06/59/83/1128065983.db2.gz KVJPHLFNESQRNJ-JSGCOSHPSA-N 0 1 253.411 3.700 20 0 CHADMN CCC[C@@H](C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1)C(C)C ZINC000470313503 1128068502 /nfs/dbraw/zinc/06/85/02/1128068502.db2.gz MUFGTOVTKCBQJK-CQSZACIVSA-N 0 1 293.455 3.738 20 0 CHADMN O=C([O-])c1sc2cccc(F)c2c1C[N@@H+]1CC=CCC1 ZINC000382482494 1128068940 /nfs/dbraw/zinc/06/89/40/1128068940.db2.gz QIWOIMGUASHXQW-UHFFFAOYSA-N 0 1 291.347 3.501 20 0 CHADMN CCc1nc[nH]c1C(=O)Nc1ccccc1C(C)(C)C ZINC000913741222 1128077723 /nfs/dbraw/zinc/07/77/23/1128077723.db2.gz JTSTXLNSLOTSDW-UHFFFAOYSA-N 0 1 271.364 3.522 20 0 CHADMN C[C@@H](N[C@H](C)c1ccsc1)C(=O)c1c[nH]c2ncccc12 ZINC000669937515 1128076053 /nfs/dbraw/zinc/07/60/53/1128076053.db2.gz JURKIZZLYIWPFW-GHMZBOCLSA-N 0 1 299.399 3.546 20 0 CHADMN CC(C)(C)c1ccccc1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000913741812 1128078702 /nfs/dbraw/zinc/07/87/02/1128078702.db2.gz QZBXSNTZRBWVBG-LBPRGKRZSA-N 0 1 297.402 3.766 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@@H](C2CC2)O1 ZINC000470903387 1128080143 /nfs/dbraw/zinc/08/01/43/1128080143.db2.gz HUGCTEKQQHQADL-ABAIWWIYSA-N 0 1 299.336 3.705 20 0 CHADMN F[C@]1(c2ccccc2)CC[N@@H+](CCCc2ccncc2)C1 ZINC000669942847 1128081362 /nfs/dbraw/zinc/08/13/62/1128081362.db2.gz PEPUNQWNUOPSIW-GOSISDBHSA-N 0 1 284.378 3.585 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000470910059 1128081826 /nfs/dbraw/zinc/08/18/26/1128081826.db2.gz WPVQVNAREWSBTK-CSMYWGQOSA-N 0 1 277.383 3.776 20 0 CHADMN COc1cc(C)c(C)cc1CN1CCC(F)(F)[C@H](C)C1 ZINC001238757811 1131241869 /nfs/dbraw/zinc/24/18/69/1131241869.db2.gz HAMQQUOAXHJJTF-CYBMUJFWSA-N 0 1 283.362 3.789 20 0 CHADMN CC(C)(C)/C=C\C(=O)Nc1ccccc1-c1cn[nH]c1 ZINC000492501815 1128099160 /nfs/dbraw/zinc/09/91/60/1128099160.db2.gz KGZLFSIPAGZHKK-HJWRWDBZSA-N 0 1 269.348 3.618 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1nc(-c2cc3ccccc3[nH]2)no1 ZINC000924426162 1128100508 /nfs/dbraw/zinc/10/05/08/1128100508.db2.gz VXJSJKZKVMUXLV-RYUDHWBXSA-N 0 1 296.374 3.591 20 0 CHADMN COc1ccnc([C@H](C)N[C@H]2CCCc3ccccc32)c1 ZINC000924534445 1128103093 /nfs/dbraw/zinc/10/30/93/1128103093.db2.gz KWYGSKIGBGNOLA-GUYCJALGSA-N 0 1 282.387 3.818 20 0 CHADMN C[C@H](NCc1ccccc1)c1ccnn1CC1CCC1 ZINC000924544293 1128103426 /nfs/dbraw/zinc/10/34/26/1128103426.db2.gz XRFUITWSDQYYQA-AWEZNQCLSA-N 0 1 269.392 3.534 20 0 CHADMN C[C@@H](NCCCSc1ccc(F)cc1)c1ncco1 ZINC000924547566 1128103866 /nfs/dbraw/zinc/10/38/66/1128103866.db2.gz SCWIEEZVGIBZQW-LLVKDONJSA-N 0 1 280.368 3.647 20 0 CHADMN Cc1ccccc1CN[C@H]1CCc2c1nccc2Cl ZINC000924558705 1128104314 /nfs/dbraw/zinc/10/43/14/1128104314.db2.gz BVACPMMCCCYIRW-HNNXBMFYSA-N 0 1 272.779 3.821 20 0 CHADMN CC[C@H](NCc1ccc(C)cc1)c1cccc(OC)n1 ZINC000924548918 1128104556 /nfs/dbraw/zinc/10/45/56/1128104556.db2.gz OSHKNUMQSXLSHO-HNNXBMFYSA-N 0 1 270.376 3.640 20 0 CHADMN C[C@@H](N[C@@H]1CCOc2ccccc21)c1cccc2c1OCO2 ZINC000924564366 1128105366 /nfs/dbraw/zinc/10/53/66/1128105366.db2.gz QCWVGVYSIHAORU-IUODEOHRSA-N 0 1 297.354 3.590 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](c2ccc(F)cc2)C(C)C)on1 ZINC000924581169 1128106304 /nfs/dbraw/zinc/10/63/04/1128106304.db2.gz PAFAFQSCJAZERU-BDJLRTHQSA-N 0 1 292.354 3.870 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccnn2C2CCC2)cc1F ZINC000924592567 1128106486 /nfs/dbraw/zinc/10/64/86/1128106486.db2.gz VKSXRXPTOJBSHN-CYBMUJFWSA-N 0 1 287.382 3.906 20 0 CHADMN C[C@@H](NCC1(c2ccccc2)CCCC1)c1ncco1 ZINC000924614148 1128108162 /nfs/dbraw/zinc/10/81/62/1128108162.db2.gz GMNJDRJLYWWJID-CQSZACIVSA-N 0 1 270.376 3.837 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2ccnn2CC2CCC2)c1 ZINC000924598393 1128107381 /nfs/dbraw/zinc/10/73/81/1128107381.db2.gz XRVUFLCLPVJKNU-HNNXBMFYSA-N 0 1 283.419 3.842 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2occc21)c1cccc(OC)n1 ZINC000924643137 1128108884 /nfs/dbraw/zinc/10/88/84/1128108884.db2.gz IDTUMKJJWJCICT-KGLIPLIRSA-N 0 1 286.375 3.802 20 0 CHADMN Cc1ccc2nc(CNC(=O)C[C@H](C)CC(C)C)[nH]c2c1 ZINC000174895074 1128108946 /nfs/dbraw/zinc/10/89/46/1128108946.db2.gz RDYYOSXDVWBRIA-CYBMUJFWSA-N 0 1 287.407 3.560 20 0 CHADMN CC(C)Oc1cccc([C@H](C)N[C@@H](C)c2ccnnc2)c1 ZINC000924680588 1128109837 /nfs/dbraw/zinc/10/98/37/1128109837.db2.gz GAANVRIBNYHJLL-KBPBESRZSA-N 0 1 285.391 3.676 20 0 CHADMN COCc1cccc(CN[C@H](C)c2ccnn2C2CCC2)c1 ZINC000924684527 1128110124 /nfs/dbraw/zinc/11/01/24/1128110124.db2.gz KLKMJAZYAMUGJJ-CQSZACIVSA-N 0 1 299.418 3.605 20 0 CHADMN CC(C)Oc1ccc([C@@H](C)N[C@@H](C)c2ccnnc2)cc1 ZINC000924701909 1128110709 /nfs/dbraw/zinc/11/07/09/1128110709.db2.gz SPWUEQICOMOQHJ-KGLIPLIRSA-N 0 1 285.391 3.676 20 0 CHADMN C[C@@H](NCc1ccc(Cl)nc1)c1cnn(C2CCC2)c1 ZINC000924713455 1128110900 /nfs/dbraw/zinc/11/09/00/1128110900.db2.gz QCVFRLXDYDJPTF-LLVKDONJSA-N 0 1 290.798 3.507 20 0 CHADMN COC1(OC)CC[C@@H]1N[C@H](C)c1oc2ccccc2c1C ZINC000924771962 1128112140 /nfs/dbraw/zinc/11/21/40/1128112140.db2.gz DLPKXYFLXIGPAS-DOMZBBRYSA-N 0 1 289.375 3.543 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](C)N[C@H](C)c1ccnnc1 ZINC000924773595 1128112350 /nfs/dbraw/zinc/11/23/50/1128112350.db2.gz PKADEXWGKQGODA-CHWSQXEVSA-N 0 1 281.359 3.943 20 0 CHADMN CCC[C@@H](NC[C@@H]1CCCCO1)c1ncccc1Cl ZINC000924802221 1128112818 /nfs/dbraw/zinc/11/28/18/1128112818.db2.gz IACSCPDSXKMZRE-GXTWGEPZSA-N 0 1 282.815 3.735 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccnn2C2CCC2)cc1 ZINC000924781905 1128112920 /nfs/dbraw/zinc/11/29/20/1128112920.db2.gz JFUNWBRDKIKHDM-CQSZACIVSA-N 0 1 299.418 3.858 20 0 CHADMN CCC[C@H](NC[C@H]1CCCCO1)c1ncccc1Cl ZINC000924802223 1128113160 /nfs/dbraw/zinc/11/31/60/1128113160.db2.gz IACSCPDSXKMZRE-OCCSQVGLSA-N 0 1 282.815 3.735 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)C1CCCCC1)c1cnn(C)n1 ZINC000924814768 1128113722 /nfs/dbraw/zinc/11/37/22/1128113722.db2.gz OWTQTQSZBGNMSM-KSSFIOAISA-N 0 1 298.434 3.787 20 0 CHADMN Cc1ccccc1C(C)(C)CN[C@H](C)c1ncco1 ZINC000924896021 1128116037 /nfs/dbraw/zinc/11/60/37/1128116037.db2.gz NPRXZUJUHXXPGU-CYBMUJFWSA-N 0 1 258.365 3.611 20 0 CHADMN FC(F)(F)[C@@H]1CCC[C@@H](CN2CC[C@H]2c2ccccc2)O1 ZINC000929789224 1128116976 /nfs/dbraw/zinc/11/69/76/1128116976.db2.gz QWFPMEMGHNNJAV-KKUMJFAQSA-N 0 1 299.336 3.933 20 0 CHADMN C[C@@H]1C[C@@H]1N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000924952311 1128117311 /nfs/dbraw/zinc/11/73/11/1128117311.db2.gz WYDPKYOKFZLOLR-RLCCDNCMSA-N 0 1 272.779 3.822 20 0 CHADMN Cc1ccc2nc(CN[C@H]3CCc4cccc(C)c43)cn2c1 ZINC000924952799 1128117408 /nfs/dbraw/zinc/11/74/08/1128117408.db2.gz XKHFGAKFYCHUCJ-KRWDZBQOSA-N 0 1 291.398 3.728 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccn1)c1ccnc(Cl)c1 ZINC000152380614 1128118941 /nfs/dbraw/zinc/11/89/41/1128118941.db2.gz ZBLKTXZIGNKQSU-GHMZBOCLSA-N 0 1 261.756 3.542 20 0 CHADMN Cc1oc2ccccc2c1[C@H](C)N[C@@H](C)c1cnn(C)c1 ZINC000925133738 1128123124 /nfs/dbraw/zinc/12/31/24/1128123124.db2.gz YJFZZWAQLNRWMR-RYUDHWBXSA-N 0 1 283.375 3.887 20 0 CHADMN CCC(CC)c1cc(CN[C@@H](C)C2(Cl)CC2)on1 ZINC000925152597 1128123496 /nfs/dbraw/zinc/12/34/96/1128123496.db2.gz BTWKYLPRQXGFHQ-JTQLQIEISA-N 0 1 270.804 3.828 20 0 CHADMN CCCN(CCN[C@H](C)c1ccco1)C(=O)OC(C)(C)C ZINC000090811859 1128124505 /nfs/dbraw/zinc/12/45/05/1128124505.db2.gz FFBXGWMDIMFIPV-CYBMUJFWSA-N 0 1 296.411 3.577 20 0 CHADMN COC[C@H](N[C@H](C)c1ccnn1C1CCC1)c1ccccc1 ZINC000925406210 1128129554 /nfs/dbraw/zinc/12/95/54/1128129554.db2.gz CMDBGWVDZUIFMJ-PBHICJAKSA-N 0 1 299.418 3.646 20 0 CHADMN Cc1ccc([C@H](NC[C@@]2(C)CCCO2)c2ccccn2)cc1 ZINC000925249028 1128126940 /nfs/dbraw/zinc/12/69/40/1128126940.db2.gz JVOIHOIGPBLUJY-RBUKOAKNSA-N 0 1 296.414 3.638 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1cn3c(n1)CCCC3)CC2 ZINC000925375626 1128128772 /nfs/dbraw/zinc/12/87/72/1128128772.db2.gz SJGMVXRAPIYIRL-WMLDXEAASA-N 0 1 295.430 3.866 20 0 CHADMN C[C@H](c1ccccc1F)[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653815221 1128129448 /nfs/dbraw/zinc/12/94/48/1128129448.db2.gz UTOGSUBGVOHUTG-HIFRSBDPSA-N 0 1 277.383 3.920 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000925465838 1128130172 /nfs/dbraw/zinc/13/01/72/1128130172.db2.gz JBVSMCBKWUPOOU-HRCADAONSA-N 0 1 282.387 3.581 20 0 CHADMN C[C@@H](NCc1cccc(F)c1)c1ccnn1-c1ccccc1 ZINC000467313050 1128135207 /nfs/dbraw/zinc/13/52/07/1128135207.db2.gz LDBMZOANMGVZIT-CQSZACIVSA-N 0 1 295.361 3.862 20 0 CHADMN CCN(c1ccc(N[C@@H]2C[C@@H](C)n3ncnc32)cc1)C(C)C ZINC000925734398 1128138759 /nfs/dbraw/zinc/13/87/59/1128138759.db2.gz OSLMGUBUGQJQPM-CZUORRHYSA-N 0 1 299.422 3.631 20 0 CHADMN CCN(c1ccc(N[C@@H](C)c2ccnnc2)cc1)C(C)C ZINC000925735788 1128138932 /nfs/dbraw/zinc/13/89/32/1128138932.db2.gz XTKYKFVVSOLXEG-AWEZNQCLSA-N 0 1 284.407 3.884 20 0 CHADMN C[C@H](N[C@@H](c1cccnc1)C1CC1)c1cccc2c1OCO2 ZINC000925641166 1128135515 /nfs/dbraw/zinc/13/55/15/1128135515.db2.gz AVMQLICRHYULIN-YVEFUNNKSA-N 0 1 296.370 3.612 20 0 CHADMN COc1cc([C@H](C)N[C@@H]2c3ccccc3CC[C@H]2C)on1 ZINC000925658821 1128136240 /nfs/dbraw/zinc/13/62/40/1128136240.db2.gz VPWAJTXXAQXUKZ-PEBVRCNWSA-N 0 1 286.375 3.657 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](N[C@H](C)c1cnnn1C)CCC2 ZINC000925659708 1128136315 /nfs/dbraw/zinc/13/63/15/1128136315.db2.gz ZRXIPCGNXUNVNB-DYVFJYSZSA-N 0 1 298.434 3.667 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@H](C)c1cc(O)cc(F)c1 ZINC000925686295 1128136815 /nfs/dbraw/zinc/13/68/15/1128136815.db2.gz STSIZUVQEYCQTN-VXGBXAGGSA-N 0 1 288.366 3.901 20 0 CHADMN CCc1cnc(CN[C@H](C)[C@@H](OC)c2ccccc2)s1 ZINC000493923771 1128151933 /nfs/dbraw/zinc/15/19/33/1128151933.db2.gz DTZHYNZHTOHGIE-MLGOLLRUSA-N 0 1 290.432 3.571 20 0 CHADMN CCCc1csc(CNCCc2cc(F)ccc2F)n1 ZINC000494071047 1128156299 /nfs/dbraw/zinc/15/62/99/1128156299.db2.gz ZPVPIMZJGUOOEV-UHFFFAOYSA-N 0 1 296.386 3.706 20 0 CHADMN C[C@H](NCCCc1c[nH]c2ccc(F)cc12)c1ncco1 ZINC000926367362 1128169341 /nfs/dbraw/zinc/16/93/41/1128169341.db2.gz MSIATPJNCHNWSX-NSHDSACASA-N 0 1 287.338 3.578 20 0 CHADMN C[C@H](NCC1CC(c2ccccc2)C1)c1ncco1 ZINC000926373599 1128170140 /nfs/dbraw/zinc/17/01/40/1128170140.db2.gz XCDGCCZZBXVFHZ-OPFPJEHXSA-N 0 1 256.349 3.519 20 0 CHADMN C[C@@H](N[C@H](C)c1cnnn1-c1ccccc1)c1ccsc1 ZINC000926370830 1128170351 /nfs/dbraw/zinc/17/03/51/1128170351.db2.gz VJFQOKBPCHEPMJ-CHWSQXEVSA-N 0 1 298.415 3.741 20 0 CHADMN COc1ccccc1[C@@H](NCC[C@@H](C)F)c1ccccn1 ZINC000926485393 1128174977 /nfs/dbraw/zinc/17/49/77/1128174977.db2.gz JTESHVZNTCFMEB-CXAGYDPISA-N 0 1 288.366 3.517 20 0 CHADMN CCC1(N[C@H](C)c2nc(Br)ccc2F)CC1 ZINC000926514822 1128176187 /nfs/dbraw/zinc/17/61/87/1128176187.db2.gz TWLLCCCPFIEFHA-MRVPVSSYSA-N 0 1 287.176 3.576 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H]1CCc2cccc(C)c21 ZINC000926530697 1128179119 /nfs/dbraw/zinc/17/91/19/1128179119.db2.gz CBJALVJHAQLVDJ-DZGCQCFKSA-N 0 1 269.392 3.550 20 0 CHADMN CCc1nc(CN[C@@H]2[C@@H]3CCCC[C@@H]3C2(C)C)co1 ZINC000926538475 1128179478 /nfs/dbraw/zinc/17/94/78/1128179478.db2.gz XOTJCECIISTYQT-VNHYZAJKSA-N 0 1 262.397 3.541 20 0 CHADMN C[C@H](c1ccccn1)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653903685 1128198191 /nfs/dbraw/zinc/19/81/91/1128198191.db2.gz GYBBZKMLJIHNBX-HUUCEWRRSA-N 0 1 274.408 3.566 20 0 CHADMN C[C@@]1(c2ccccc2)CN(Cc2ccc(CF)cc2)CCO1 ZINC000777600812 1128180795 /nfs/dbraw/zinc/18/07/95/1128180795.db2.gz REDKPOFPDRKKAI-IBGZPJMESA-N 0 1 299.389 3.904 20 0 CHADMN F[C@@H]1CCCC[C@H]1N[C@H]1CCc2c1nccc2Cl ZINC000926588558 1128182789 /nfs/dbraw/zinc/18/27/89/1128182789.db2.gz ZXRGQWMRILOPDG-UPJWGTAASA-N 0 1 268.763 3.593 20 0 CHADMN c1ccc([C@@H](N[C@@H]2COCc3ccccc32)C2CCC2)nc1 ZINC000926602285 1128183385 /nfs/dbraw/zinc/18/33/85/1128183385.db2.gz YDXCPBYRPHAMPU-MOPGFXCFSA-N 0 1 294.398 3.784 20 0 CHADMN Clc1cccc(CN2CCC[C@@H](OCC3CC3)C2)c1 ZINC000494657305 1128184908 /nfs/dbraw/zinc/18/49/08/1128184908.db2.gz ZEDCNAAQDDLVLF-MRXNPFEDSA-N 0 1 279.811 3.731 20 0 CHADMN C[C@@H](N[C@@H](CO)CCF)c1cc(Cl)cc(Cl)c1F ZINC000926654029 1128185995 /nfs/dbraw/zinc/18/59/95/1128185995.db2.gz ATKMOXMNYIJCGC-VXNVDRBHSA-N 0 1 298.160 3.504 20 0 CHADMN CCCC1(CN[C@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000542493867 1128187503 /nfs/dbraw/zinc/18/75/03/1128187503.db2.gz FSAJQYWSLYPLCQ-QGZVFWFLSA-N 0 1 299.393 3.875 20 0 CHADMN CC1(C)CC[C@@H](N[C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000542494413 1128187654 /nfs/dbraw/zinc/18/76/54/1128187654.db2.gz NHRRWLXHNFGVEE-WBVHZDCISA-N 0 1 299.393 3.873 20 0 CHADMN Cc1ncc(C(=O)N2CC3(CCCCCC3)[C@H]2C(C)C)[nH]1 ZINC000827992911 1128187742 /nfs/dbraw/zinc/18/77/42/1128187742.db2.gz DEUCYHOWAYKOCJ-OAHLLOKOSA-N 0 1 289.423 3.539 20 0 CHADMN CCC[C@@H](N[C@@H]1COC2(CCC2)C1)c1ncccc1Cl ZINC000926695844 1128188357 /nfs/dbraw/zinc/18/83/57/1128188357.db2.gz DQZGKSOPFPYCIN-GXTWGEPZSA-N 0 1 294.826 3.877 20 0 CHADMN C[C@@H](NCC1=CCCC1)c1nc(Br)ccc1F ZINC000926718028 1128189815 /nfs/dbraw/zinc/18/98/15/1128189815.db2.gz YZBPMBPVOJOYJO-SECBINFHSA-N 0 1 299.187 3.744 20 0 CHADMN COc1cc([C@@H](C)N[C@@H]2CCCc3c(C)cccc32)on1 ZINC000926729516 1128190275 /nfs/dbraw/zinc/19/02/75/1128190275.db2.gz NRJGMEKUPJGIRL-IUODEOHRSA-N 0 1 286.375 3.720 20 0 CHADMN CC(C)[C@@H]1C[C@H](N[C@@H](C)c2cn(C)cn2)c2ccccc21 ZINC000926759681 1128192130 /nfs/dbraw/zinc/19/21/30/1128192130.db2.gz DVWDNNKCPBQWSX-JQFCIGGWSA-N 0 1 283.419 3.955 20 0 CHADMN Cc1oc2ccccc2c1[C@H](C)N[C@H](C)c1ccnn1C ZINC000926814257 1128196433 /nfs/dbraw/zinc/19/64/33/1128196433.db2.gz VTLPPZXHAKNZIM-NEPJUHHUSA-N 0 1 283.375 3.887 20 0 CHADMN CN(C)Cc1ccc(N[C@@H]2CCc3ccccc32)cc1F ZINC000777700250 1128246997 /nfs/dbraw/zinc/24/69/97/1128246997.db2.gz GCPHWVSOMYDNBK-GOSISDBHSA-N 0 1 284.378 3.987 20 0 CHADMN CC[C@@H](C)[C@@H](C)Nc1ccc(CN(C)C)c(F)c1 ZINC000777700279 1128247049 /nfs/dbraw/zinc/24/70/49/1128247049.db2.gz GRRCBYFAGSBIQJ-VXGBXAGGSA-N 0 1 252.377 3.734 20 0 CHADMN CC[C@H](C)[C@H](C)Nc1ccc(CN(C)C)c(F)c1 ZINC000777700276 1128247309 /nfs/dbraw/zinc/24/73/09/1128247309.db2.gz GRRCBYFAGSBIQJ-RYUDHWBXSA-N 0 1 252.377 3.734 20 0 CHADMN Cc1nc(C)c(CN(C)[C@H](C)c2cccc(Cl)c2)[nH]1 ZINC000929291617 1128268671 /nfs/dbraw/zinc/26/86/71/1128268671.db2.gz SVVJKZTUUXUWGU-LLVKDONJSA-N 0 1 277.799 3.873 20 0 CHADMN FCc1ccc(C[N@H+]2CCc3c(F)cccc3C2)cc1 ZINC000777714667 1128253176 /nfs/dbraw/zinc/25/31/76/1128253176.db2.gz ZBRKUVLTQLBCKA-UHFFFAOYSA-N 0 1 273.326 3.854 20 0 CHADMN FCc1ccc(CN2CCc3c(F)cccc3C2)cc1 ZINC000777714667 1128253179 /nfs/dbraw/zinc/25/31/79/1128253179.db2.gz ZBRKUVLTQLBCKA-UHFFFAOYSA-N 0 1 273.326 3.854 20 0 CHADMN c1nc2c(n1-c1ccccc1)CCN(CCCC1CCC1)C2 ZINC000929071117 1128256577 /nfs/dbraw/zinc/25/65/77/1128256577.db2.gz YMDOBXLPXJPITL-UHFFFAOYSA-N 0 1 295.430 3.811 20 0 CHADMN CCCN(Cc1cnc(CC)o1)Cc1ccccc1 ZINC000929120957 1128258881 /nfs/dbraw/zinc/25/88/81/1128258881.db2.gz DKEJZPWKYOEBAP-UHFFFAOYSA-N 0 1 258.365 3.649 20 0 CHADMN Cc1nnsc1[C@@H](C)N1CCC[C@@H]1c1cccs1 ZINC000929130540 1128259714 /nfs/dbraw/zinc/25/97/14/1128259714.db2.gz AZLQOWSDKFSSLZ-GHMZBOCLSA-N 0 1 279.434 3.806 20 0 CHADMN CCc1ncc(C[N@@H+]2CC=C(c3ccc(C)cc3)CC2)o1 ZINC000929147842 1128261110 /nfs/dbraw/zinc/26/11/10/1128261110.db2.gz RHBFCEKCERAAIR-UHFFFAOYSA-N 0 1 282.387 3.835 20 0 CHADMN CCc1ncc(CN2CC=C(c3ccc(C)cc3)CC2)o1 ZINC000929147842 1128261114 /nfs/dbraw/zinc/26/11/14/1128261114.db2.gz RHBFCEKCERAAIR-UHFFFAOYSA-N 0 1 282.387 3.835 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@@H]2c2cccc(F)c2)[nH]1 ZINC000929313897 1128269275 /nfs/dbraw/zinc/26/92/75/1128269275.db2.gz KLESUCJRYSIVMR-MRXNPFEDSA-N 0 1 273.355 3.503 20 0 CHADMN c1ccc2sc([C@@H]3CCCN3CCOC3CC3)nc2c1 ZINC000929209918 1128263723 /nfs/dbraw/zinc/26/37/23/1128263723.db2.gz UIOBJFJCLQWBNW-AWEZNQCLSA-N 0 1 288.416 3.612 20 0 CHADMN CC(=O)Nc1ccc([C@H](C)NCc2ncc(C)cc2C)cc1 ZINC000926961001 1128206819 /nfs/dbraw/zinc/20/68/19/1128206819.db2.gz SCUXMAWEENUOJT-AWEZNQCLSA-N 0 1 297.402 3.508 20 0 CHADMN Cc1csc([C@H](C)NC[C@H]2CCCC3(CCC3)O2)n1 ZINC000927012384 1128208182 /nfs/dbraw/zinc/20/81/82/1128208182.db2.gz TXQPQVLCJXWCSM-QWHCGFSZSA-N 0 1 280.437 3.594 20 0 CHADMN CCC[C@@H](O)CCN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000927019237 1128208302 /nfs/dbraw/zinc/20/83/02/1128208302.db2.gz DJWDRAJUOFQAHM-IEBWSBKVSA-N 0 1 298.430 3.620 20 0 CHADMN Cc1ccc(-c2nnc([C@@H](C)NC3(C4CC4)CC3)o2)cc1 ZINC000542520572 1128209253 /nfs/dbraw/zinc/20/92/53/1128209253.db2.gz CIFGWHCZHSKNFX-GFCCVEGCSA-N 0 1 283.375 3.638 20 0 CHADMN C[C@H](N[C@@H]1CCCc2cccnc21)c1ccnc(Cl)c1 ZINC000927059930 1128212236 /nfs/dbraw/zinc/21/22/36/1128212236.db2.gz PQEZGZLWASKSTP-SMDDNHRTSA-N 0 1 287.794 3.858 20 0 CHADMN CC(C)[C@H](N[C@H]1CCCc2cccnc21)c1ccc(F)cn1 ZINC000927062951 1128212996 /nfs/dbraw/zinc/21/29/96/1128212996.db2.gz QGESBSSTLHQJBL-IRXDYDNUSA-N 0 1 299.393 3.980 20 0 CHADMN Cc1c([C@@H](C)N[C@H]2CCCc3cccnc32)cnn1C(C)C ZINC000927063324 1128213086 /nfs/dbraw/zinc/21/30/86/1128213086.db2.gz DUCRTLXIBNFDMS-DYVFJYSZSA-N 0 1 298.434 3.896 20 0 CHADMN Fc1cncc([C@@H](N[C@H]2CCCc3cccnc32)C2CC2)c1 ZINC000927063915 1128213117 /nfs/dbraw/zinc/21/31/17/1128213117.db2.gz LPYMBRJGPDJUJU-IRXDYDNUSA-N 0 1 297.377 3.734 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2cccnc21)c1cnn(C2CCC2)c1 ZINC000927062664 1128213698 /nfs/dbraw/zinc/21/36/98/1128213698.db2.gz NTVDGLIYUVGKAN-CXAGYDPISA-N 0 1 296.418 3.731 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@@H](c1cnn(C)c1)C(C)C ZINC000927071785 1128215440 /nfs/dbraw/zinc/21/54/40/1128215440.db2.gz UXLXXRYCGLGSDK-BXUZGUMPSA-N 0 1 293.436 3.538 20 0 CHADMN COc1ccsc1[C@H](C)N[C@H](c1cnn(C)c1)C(C)C ZINC000927071787 1128215724 /nfs/dbraw/zinc/21/57/24/1128215724.db2.gz UXLXXRYCGLGSDK-FZMZJTMJSA-N 0 1 293.436 3.538 20 0 CHADMN CCC[C@H](NCc1cccc2c1OCC2)c1cccnc1 ZINC000927089838 1128216800 /nfs/dbraw/zinc/21/68/00/1128216800.db2.gz GDOWULHIQNWNEU-KRWDZBQOSA-N 0 1 282.387 3.648 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1cccc2c1OCC2 ZINC000927091465 1128216899 /nfs/dbraw/zinc/21/68/99/1128216899.db2.gz PLSRQPFHCMUONV-LLVKDONJSA-N 0 1 289.400 3.542 20 0 CHADMN Cn1nc(C2CC2)cc1CN[C@H]1CC(C)(C)Cc2occc21 ZINC000927098242 1128217268 /nfs/dbraw/zinc/21/72/68/1128217268.db2.gz GOGMGRMIGFQRSY-INIZCTEOSA-N 0 1 299.418 3.694 20 0 CHADMN CCC[C@@H](C)NC1(c2cccc(C(F)(F)F)c2)COC1 ZINC001257308382 1128218295 /nfs/dbraw/zinc/21/82/95/1128218295.db2.gz PRHMJUZDOPAMTD-LLVKDONJSA-N 0 1 287.325 3.709 20 0 CHADMN Cn1nc(CN[C@@H](CC2CC2)c2ccccc2)cc1C1CC1 ZINC000927113141 1128218404 /nfs/dbraw/zinc/21/84/04/1128218404.db2.gz XESIDMSNWJXEJB-SFHVURJKSA-N 0 1 295.430 3.929 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cc(C3CC3)n(C)n1)[C@@H](C)C2 ZINC000927109825 1128218568 /nfs/dbraw/zinc/21/85/68/1128218568.db2.gz YTPIPGAKVBZEBH-ORAYPTAESA-N 0 1 295.430 3.629 20 0 CHADMN CN(CCSc1ccncc1)Cc1ccc(F)c(F)c1 ZINC000929258000 1128266569 /nfs/dbraw/zinc/26/65/69/1128266569.db2.gz YCDXZAYBLLPWFN-UHFFFAOYSA-N 0 1 294.370 3.584 20 0 CHADMN CCc1onc(C)c1CN[C@H]1CCc2cccc(C)c21 ZINC000927134721 1128221320 /nfs/dbraw/zinc/22/13/20/1128221320.db2.gz MQEJIQJAGMSNQY-HNNXBMFYSA-N 0 1 270.376 3.631 20 0 CHADMN CCc1onc(C)c1CN[C@H]1CCCc2sccc21 ZINC000927140409 1128222000 /nfs/dbraw/zinc/22/20/00/1128222000.db2.gz ODRWAZHXIPPIRG-ZDUSSCGKSA-N 0 1 276.405 3.774 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)N(Cc2n[nH]c(C(C)(C)C)n2)C1 ZINC000433190000 1128225755 /nfs/dbraw/zinc/22/57/55/1128225755.db2.gz GLTVBMMYABHNFU-ZFWWWQNUSA-N 0 1 298.434 3.685 20 0 CHADMN CC[N@@H+](C/C=C\c1ccncc1)Cc1cccc(F)c1 ZINC000495058971 1128226717 /nfs/dbraw/zinc/22/67/17/1128226717.db2.gz LJAGUISVPIFASL-XQRVVYSFSA-N 0 1 270.351 3.756 20 0 CHADMN C(=C\c1ccncc1)\CN1CCSC[C@H]1c1ccccc1 ZINC000495069885 1128228463 /nfs/dbraw/zinc/22/84/63/1128228463.db2.gz UNLDWRPVCUIITM-XDXAGZTOSA-N 0 1 296.439 3.885 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@H](C)c1ccc(C)c(F)c1 ZINC000180752438 1128241030 /nfs/dbraw/zinc/24/10/30/1128241030.db2.gz AUYGHTBQBGKYCN-GHMZBOCLSA-N 0 1 261.344 3.577 20 0 CHADMN CCCN(Cc1cnc(CC)o1)Cc1ccc(F)cc1 ZINC000929382526 1128271539 /nfs/dbraw/zinc/27/15/39/1128271539.db2.gz YUBMMSHQJZQXDM-UHFFFAOYSA-N 0 1 276.355 3.788 20 0 CHADMN CCN(Cc1ccoc1)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929477871 1128275228 /nfs/dbraw/zinc/27/52/28/1128275228.db2.gz JHKZKURZPMIMEK-CHWSQXEVSA-N 0 1 291.313 3.602 20 0 CHADMN CCc1ncc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)o1 ZINC000929646553 1128280609 /nfs/dbraw/zinc/28/06/09/1128280609.db2.gz ASEXUPCYHILZIB-MRXNPFEDSA-N 0 1 260.381 3.559 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1c(F)cncc1F ZINC000929718445 1128283115 /nfs/dbraw/zinc/28/31/15/1128283115.db2.gz PCKMUHQBTDMVPZ-UEKVPHQBSA-N 0 1 266.335 3.513 20 0 CHADMN Cc1ccc(C(C)(C)CN(C)[C@H](C)c2ncccn2)cc1 ZINC000929721669 1128284558 /nfs/dbraw/zinc/28/45/58/1128284558.db2.gz YLVAUUNENQWLDU-OAHLLOKOSA-N 0 1 283.419 3.756 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@H]1CCCN1C(C)C ZINC000929777702 1128286532 /nfs/dbraw/zinc/28/65/32/1128286532.db2.gz CAOXVEFCGWRSPR-MRXNPFEDSA-N 0 1 274.408 3.621 20 0 CHADMN Cc1cccnc1[C@H](N[C@H](C)c1ccc(F)nc1)C(C)C ZINC000929979899 1128296766 /nfs/dbraw/zinc/29/67/66/1128296766.db2.gz HSWNUPQDJRTTRA-CZUORRHYSA-N 0 1 287.382 3.972 20 0 CHADMN CC(C)CCN(C)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000930031214 1128298533 /nfs/dbraw/zinc/29/85/33/1128298533.db2.gz JDXHPBKPYQUWDI-UHFFFAOYSA-N 0 1 295.333 3.619 20 0 CHADMN S=C1SCCN1CN1CCCC[C@@H]1c1ccccc1 ZINC000762466777 1128302433 /nfs/dbraw/zinc/30/24/33/1128302433.db2.gz NHYHGUCTKKZRMQ-CQSZACIVSA-N 0 1 292.473 3.505 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)NCc2cc(C)cc(C)n2)c1 ZINC000930191475 1128305111 /nfs/dbraw/zinc/30/51/11/1128305111.db2.gz BJWXDKZJIWKHRJ-CQSZACIVSA-N 0 1 297.402 3.508 20 0 CHADMN Cc1cn(C)nc1CN[C@H](CC(C)(C)C)c1ccccc1 ZINC000930204019 1128307584 /nfs/dbraw/zinc/30/75/84/1128307584.db2.gz JPVBUFQLEQUWBK-MRXNPFEDSA-N 0 1 285.435 3.996 20 0 CHADMN Cc1cn(C)nc1CN[C@H](c1cccc(C)c1)C(C)(C)C ZINC000930228453 1128308903 /nfs/dbraw/zinc/30/89/03/1128308903.db2.gz JVQSDADTMQYYNZ-QGZVFWFLSA-N 0 1 285.435 3.914 20 0 CHADMN CC[C@@H](C)N(C)Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000495709967 1128309299 /nfs/dbraw/zinc/30/92/99/1128309299.db2.gz DESVBMQFDWEQEP-SNVBAGLBSA-N 0 1 299.440 3.720 20 0 CHADMN COc1ccc([C@H](NCc2cc(C)cc(C)n2)C2CC2)cc1 ZINC000930239082 1128310439 /nfs/dbraw/zinc/31/04/39/1128310439.db2.gz KHQCHLCDUFJLCE-LJQANCHMSA-N 0 1 296.414 3.948 20 0 CHADMN Cc1nc(C)c(CN[C@H](C)c2oc3ccccc3c2C)[nH]1 ZINC000930258052 1128311167 /nfs/dbraw/zinc/31/11/67/1128311167.db2.gz VAQQMCMPQJPJIG-GFCCVEGCSA-N 0 1 283.375 3.932 20 0 CHADMN c1cc2cc(C[N@H+]3CCOCC34CCCCC4)ccc2cn1 ZINC000648795753 1128312141 /nfs/dbraw/zinc/31/21/41/1128312141.db2.gz KKVYRBQBHDYMSW-UHFFFAOYSA-N 0 1 296.414 3.770 20 0 CHADMN Cc1cc(C)nc(CN2CCC(CC(F)(F)F)CC2)c1 ZINC000930377566 1128316503 /nfs/dbraw/zinc/31/65/03/1128316503.db2.gz XMQWYQADYOIVHZ-UHFFFAOYSA-N 0 1 286.341 3.863 20 0 CHADMN CC(C)(C)c1nc(CN(CC2CC2)C2CCC2)co1 ZINC000930299695 1128312618 /nfs/dbraw/zinc/31/26/18/1128312618.db2.gz AJNGGSLKGKOBNG-UHFFFAOYSA-N 0 1 262.397 3.737 20 0 CHADMN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1cc(C2CC2)no1 ZINC000660099702 1128312928 /nfs/dbraw/zinc/31/29/28/1128312928.db2.gz IUKWUGYCIPFBDI-HOTGVXAUSA-N 0 1 292.423 3.578 20 0 CHADMN CSc1ccc([C@H](C)N[C@H](C)c2snnc2C)cc1 ZINC000930312283 1128313689 /nfs/dbraw/zinc/31/36/89/1128313689.db2.gz FVKMHZICABQECQ-VHSXEESVSA-N 0 1 293.461 3.980 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)nc1)c1ccsc1 ZINC000930344985 1128314659 /nfs/dbraw/zinc/31/46/59/1128314659.db2.gz HKZFSIDNMQAEGA-UWVGGRQHSA-N 0 1 250.342 3.694 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1cc(C)nnc1C ZINC000930332067 1128314892 /nfs/dbraw/zinc/31/48/92/1128314892.db2.gz FJSZMYVGJLUJRE-CYBMUJFWSA-N 0 1 287.432 3.666 20 0 CHADMN Clc1cccc(Cl)c1CN[C@H]1CCO[C@@H]1C1CC1 ZINC000236036888 1128317015 /nfs/dbraw/zinc/31/70/15/1128317015.db2.gz LLMHEDRGDPAUOK-UONOGXRCSA-N 0 1 286.202 3.651 20 0 CHADMN CC(C)N(Cc1cnn(CCF)c1)[C@@H](C)c1ccsc1 ZINC000930751577 1128333848 /nfs/dbraw/zinc/33/38/48/1128333848.db2.gz NVCAXBMNNSMVEN-ZDUSSCGKSA-N 0 1 295.427 3.886 20 0 CHADMN C[C@H](NCc1ccccc1CF)c1cncc(F)c1 ZINC000930694600 1128330637 /nfs/dbraw/zinc/33/06/37/1128330637.db2.gz COCKTZWGNRUDBM-NSHDSACASA-N 0 1 262.303 3.541 20 0 CHADMN Nc1ccc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)cn1 ZINC000930686937 1128330656 /nfs/dbraw/zinc/33/06/56/1128330656.db2.gz JMKAZTSNGQCFIP-SFHVURJKSA-N 0 1 293.414 3.781 20 0 CHADMN Nc1ccc(CN2CC3(CCCC3)[C@@H]2c2ccccc2)cn1 ZINC000930686937 1128330660 /nfs/dbraw/zinc/33/06/60/1128330660.db2.gz JMKAZTSNGQCFIP-SFHVURJKSA-N 0 1 293.414 3.781 20 0 CHADMN C[C@H]1CCC[C@@H](C(=O)Nc2cc(Cl)c(O)cc2F)C1 ZINC000561652322 1128343867 /nfs/dbraw/zinc/34/38/67/1128343867.db2.gz XZEIYZBQGHUXSF-DTWKUNHWSA-N 0 1 285.746 3.950 20 0 CHADMN C[C@H](N[C@H](c1ccccn1)C1CCC1)c1ccc(F)nc1 ZINC000931173874 1128351116 /nfs/dbraw/zinc/35/11/16/1128351116.db2.gz UOGJNEVBKLYSRL-SJCJKPOMSA-N 0 1 285.366 3.808 20 0 CHADMN CC[C@@H](NCc1nn(C)cc1C)c1cc(C)ccc1C ZINC000931262033 1128355457 /nfs/dbraw/zinc/35/54/57/1128355457.db2.gz KLAYQSNYHJOWKR-MRXNPFEDSA-N 0 1 271.408 3.586 20 0 CHADMN FC(F)C1(NC[C@@H]2Cc3ccccc32)CCCCC1 ZINC000561875262 1128359124 /nfs/dbraw/zinc/35/91/24/1128359124.db2.gz BDOVUNKJPSONIM-ZDUSSCGKSA-N 0 1 265.347 3.884 20 0 CHADMN Clc1ccccc1CN1CCC(c2ncco2)CC1 ZINC000931445869 1128361539 /nfs/dbraw/zinc/36/15/39/1128361539.db2.gz MVYINZXQCDDCNH-UHFFFAOYSA-N 0 1 276.767 3.708 20 0 CHADMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccoc1 ZINC000054626757 1128363104 /nfs/dbraw/zinc/36/31/04/1128363104.db2.gz CGTNRMLTRPDMTH-UHFFFAOYSA-N 0 1 293.282 3.668 20 0 CHADMN CC(=CC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C)C1CC1 ZINC000054925328 1128366348 /nfs/dbraw/zinc/36/63/48/1128366348.db2.gz YYOQXXSAPQVVHB-JICACKBISA-N 0 1 297.402 3.733 20 0 CHADMN Cc1ccc(CN2CCC3(C2)Oc2ccccc2O3)c(C)c1 ZINC000561987028 1128369289 /nfs/dbraw/zinc/36/92/89/1128369289.db2.gz PETMDNZJDKSKEB-UHFFFAOYSA-N 0 1 295.382 3.677 20 0 CHADMN C[C@@H]1Oc2cc(F)ccc2[C@@H]1N[C@H]1CCc2ccccc21 ZINC000562060307 1128375027 /nfs/dbraw/zinc/37/50/27/1128375027.db2.gz WRPPQOHDJPTEOX-SDDDUWNISA-N 0 1 283.346 3.925 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cnc(C)cn2)cc1C ZINC000932570190 1128415693 /nfs/dbraw/zinc/41/56/93/1128415693.db2.gz NBYXLSGHASJUIK-UONOGXRCSA-N 0 1 285.391 3.514 20 0 CHADMN C(=C/c1ccccc1)\CCN1CCc2nc[nH]c2C12CCC2 ZINC000931680016 1128375845 /nfs/dbraw/zinc/37/58/45/1128375845.db2.gz KRBGUWJFLNRKEY-RUDMXATFSA-N 0 1 293.414 3.751 20 0 CHADMN Clc1ccc(CCCN2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000562137374 1128381023 /nfs/dbraw/zinc/38/10/23/1128381023.db2.gz XFUSFRNPAXFLSG-JKSUJKDBSA-N 0 1 279.811 3.526 20 0 CHADMN Cc1ccoc1CN1CC[C@@](F)(c2ccccc2)C1 ZINC000670272184 1128382254 /nfs/dbraw/zinc/38/22/54/1128382254.db2.gz VIONGLPKVYWBEU-INIZCTEOSA-N 0 1 259.324 3.659 20 0 CHADMN CCN(Cc1cc2ccccc2n1C)Cc1ccccn1 ZINC000638066791 1128386036 /nfs/dbraw/zinc/38/60/36/1128386036.db2.gz MFVVQUZQWBNMKB-UHFFFAOYSA-N 0 1 279.387 3.595 20 0 CHADMN Fc1ccccc1C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931914861 1128387151 /nfs/dbraw/zinc/38/71/51/1128387151.db2.gz CUWYXBBINFQPQA-LBPRGKRZSA-N 0 1 291.263 3.692 20 0 CHADMN Fc1ccccc1CN1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931914861 1128387155 /nfs/dbraw/zinc/38/71/55/1128387155.db2.gz CUWYXBBINFQPQA-LBPRGKRZSA-N 0 1 291.263 3.692 20 0 CHADMN Cn1ccc(C2CCN(Cc3ccc(Cl)s3)CC2)n1 ZINC000932141280 1128396153 /nfs/dbraw/zinc/39/61/53/1128396153.db2.gz UWXWGIJYSJRXSL-UHFFFAOYSA-N 0 1 295.839 3.515 20 0 CHADMN Cl/C=C/CN1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932193158 1128399649 /nfs/dbraw/zinc/39/96/49/1128399649.db2.gz DELBYXUZNLLWPZ-CGAJTASUSA-N 0 1 282.840 3.564 20 0 CHADMN CCCCN1CCC[C@H]1c1cncc(Br)c1 ZINC000932251813 1128401944 /nfs/dbraw/zinc/40/19/44/1128401944.db2.gz UZIWGSLZVODTBE-ZDUSSCGKSA-N 0 1 283.213 3.781 20 0 CHADMN Cc1nsc(C)c1CN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000562442148 1128403054 /nfs/dbraw/zinc/40/30/54/1128403054.db2.gz KMEVXRZECNFWRZ-MEDUHNTESA-N 0 1 272.417 3.953 20 0 CHADMN Cc1ncc(C(=O)N(Cc2c(C)cccc2C)CC(C)C)[nH]1 ZINC000648957288 1128405254 /nfs/dbraw/zinc/40/52/54/1128405254.db2.gz RUTKUGOZZBRXQT-UHFFFAOYSA-N 0 1 299.418 3.633 20 0 CHADMN COC(C)(C)[C@H](C)NCc1nc(-c2cccs2)oc1C ZINC000932367169 1128405696 /nfs/dbraw/zinc/40/56/96/1128405696.db2.gz JPCXMOWNRZVOIY-NSHDSACASA-N 0 1 294.420 3.615 20 0 CHADMN Cc1ccccc1C[C@H](C)N(C)Cc1nccn1C(C)C ZINC000562491646 1128405713 /nfs/dbraw/zinc/40/57/13/1128405713.db2.gz MJKZIMHCTZVSAA-INIZCTEOSA-N 0 1 285.435 3.835 20 0 CHADMN CCOc1ccccc1CN[C@H](c1ccccn1)C1CC1 ZINC000932379110 1128406500 /nfs/dbraw/zinc/40/65/00/1128406500.db2.gz HBVBAEGDJBAUMO-SFHVURJKSA-N 0 1 282.387 3.721 20 0 CHADMN CC(C)CN(Cc1ccccn1)[C@H](C)c1ccccn1 ZINC000932447954 1128410389 /nfs/dbraw/zinc/41/03/89/1128410389.db2.gz WMSSAAWZNPEWNC-OAHLLOKOSA-N 0 1 269.392 3.696 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1cscn1 ZINC000562736038 1128419695 /nfs/dbraw/zinc/41/96/95/1128419695.db2.gz LYNLOOHZOBRAGC-UHTWSYAYSA-N 0 1 282.453 3.776 20 0 CHADMN CCC[C@H](C)CC[C@H](C)NCc1nc(C(=O)OC)cs1 ZINC001257463125 1128443444 /nfs/dbraw/zinc/44/34/44/1128443444.db2.gz JJAFPWREJHVEJV-RYUDHWBXSA-N 0 1 298.452 3.624 20 0 CHADMN Cc1csc(C2(NC[C@@H]3CC3(Cl)Cl)CCC2)n1 ZINC000778128843 1128423913 /nfs/dbraw/zinc/42/39/13/1128423913.db2.gz PWSZPGHIIYNKAE-VIFPVBQESA-N 0 1 291.247 3.614 20 0 CHADMN Cc1nnc(CN2CCC[C@]2(C)Cc2cccs2)s1 ZINC000932922622 1128427187 /nfs/dbraw/zinc/42/71/87/1128427187.db2.gz MZHRKQJMFHHGSF-CQSZACIVSA-N 0 1 293.461 3.505 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H]1C)c1noc(-c2ccccc2)n1 ZINC000124418435 1128443941 /nfs/dbraw/zinc/44/39/41/1128443941.db2.gz BWLFTECTEZGATD-VNHYZAJKSA-N 0 1 285.391 3.966 20 0 CHADMN Cc1cccc(C)c1OCCCN1CCn2cccc2[C@@H]1C ZINC000496967673 1128430069 /nfs/dbraw/zinc/43/00/69/1128430069.db2.gz NOVAHGPSMLLDSO-KRWDZBQOSA-N 0 1 298.430 3.951 20 0 CHADMN Clc1ccc2c(c1)[C@@H](NCc1ccccn1)CC2 ZINC000763390104 1128430758 /nfs/dbraw/zinc/43/07/58/1128430758.db2.gz RQUMSBJHFALRSK-HNNXBMFYSA-N 0 1 258.752 3.512 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCC[C@@H](CC)C1 ZINC000037404883 1128431494 /nfs/dbraw/zinc/43/14/94/1128431494.db2.gz HGTWZYOKKGLBNO-OAHLLOKOSA-N 0 1 289.419 3.910 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCCCCC1 ZINC000037386193 1128431655 /nfs/dbraw/zinc/43/16/55/1128431655.db2.gz NNEXUQYDIPZUHC-UHFFFAOYSA-N 0 1 275.392 3.664 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCC[C@H](C)C1 ZINC000037386204 1128431672 /nfs/dbraw/zinc/43/16/72/1128431672.db2.gz UTPOTSRGAAHYHT-ZDUSSCGKSA-N 0 1 275.392 3.520 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)C[C@@H](O)c2ccco2)c(C)s1 ZINC000763413580 1128433738 /nfs/dbraw/zinc/43/37/38/1128433738.db2.gz SEHJXTRPHGVQEC-OUJBWJOFSA-N 0 1 294.420 3.516 20 0 CHADMN C[N@H+](Cc1ccc(C(C)(C)C)cc1)Cc1cccc(=O)[nH]1 ZINC000933394722 1128434551 /nfs/dbraw/zinc/43/45/51/1128434551.db2.gz UXEFGXXEIMRIDS-UHFFFAOYSA-N 0 1 284.403 3.717 20 0 CHADMN CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc(=O)[nH]1 ZINC000933394722 1128434553 /nfs/dbraw/zinc/43/45/53/1128434553.db2.gz UXEFGXXEIMRIDS-UHFFFAOYSA-N 0 1 284.403 3.717 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(C)ccn2)cc1C ZINC000933483774 1128435552 /nfs/dbraw/zinc/43/55/52/1128435552.db2.gz KWFHJQRYYHITJJ-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN c1ccc(CN2CCC[C@@]3(C=Cc4ccccc4O3)C2)nc1 ZINC000933661161 1128439484 /nfs/dbraw/zinc/43/94/84/1128439484.db2.gz XKJGOANXKWLJSM-LJQANCHMSA-N 0 1 292.382 3.522 20 0 CHADMN CC(C)[N@@H+](Cc1cnccn1)[C@H](C)c1ccsc1 ZINC000562939895 1128441767 /nfs/dbraw/zinc/44/17/67/1128441767.db2.gz IUQQWJXGSOYDHH-GFCCVEGCSA-N 0 1 261.394 3.510 20 0 CHADMN CC(C)N(Cc1cnccn1)[C@H](C)c1ccsc1 ZINC000562939895 1128441770 /nfs/dbraw/zinc/44/17/70/1128441770.db2.gz IUQQWJXGSOYDHH-GFCCVEGCSA-N 0 1 261.394 3.510 20 0 CHADMN Cc1cnn(CCN[C@@H](C)c2cccc(Cl)c2Cl)c1 ZINC000124120748 1128442471 /nfs/dbraw/zinc/44/24/71/1128442471.db2.gz BPOZQORSXINZEC-NSHDSACASA-N 0 1 298.217 3.849 20 0 CHADMN Cc1nc(C(C)C)ccc1CN[C@@H](C)c1cncs1 ZINC000934193383 1128453625 /nfs/dbraw/zinc/45/36/25/1128453625.db2.gz HOHGMHFFMHTODA-LBPRGKRZSA-N 0 1 275.421 3.821 20 0 CHADMN CCC[C@](C)(NCc1ncc(Cl)n1C)c1ccccc1 ZINC000934185522 1128453672 /nfs/dbraw/zinc/45/36/72/1128453672.db2.gz IXYNMEAZVXCRGD-INIZCTEOSA-N 0 1 291.826 3.879 20 0 CHADMN CCC[C@@](C)(NCc1cc(Cl)n(C)n1)c1ccccc1 ZINC000934181059 1128454143 /nfs/dbraw/zinc/45/41/43/1128454143.db2.gz ZENOQKYTTZWPDT-MRXNPFEDSA-N 0 1 291.826 3.879 20 0 CHADMN CCCCC1(NCc2nc(-c3ccccc3)no2)CC1 ZINC000934209856 1128454551 /nfs/dbraw/zinc/45/45/51/1128454551.db2.gz CWPGREGHZVVHME-UHFFFAOYSA-N 0 1 271.364 3.549 20 0 CHADMN COc1ncc(CN[C@H](C)c2cncs2)c2ccccc21 ZINC000934196189 1128454586 /nfs/dbraw/zinc/45/45/86/1128454586.db2.gz ONCCRKVOUBJDIS-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN CCCCC1(NCc2nc(C(F)(F)F)cs2)CC1 ZINC000934205498 1128454590 /nfs/dbraw/zinc/45/45/90/1128454590.db2.gz HSFUXGFULVGHQS-UHFFFAOYSA-N 0 1 278.343 3.974 20 0 CHADMN CCC[C@@H](C)CC[C@H](C)NCc1ncc(Cl)cn1 ZINC001257465791 1128450028 /nfs/dbraw/zinc/45/00/28/1128450028.db2.gz BRTVGTRVXUIQSB-NEPJUHHUSA-N 0 1 269.820 3.825 20 0 CHADMN CCn1cc(CN[C@@H](C)c2coc3ccccc23)cn1 ZINC000925430782 1128450333 /nfs/dbraw/zinc/45/03/33/1128450333.db2.gz XPDGJAQDIIKPFF-LBPRGKRZSA-N 0 1 269.348 3.500 20 0 CHADMN CCC[C@H](C)CC[C@H](C)NCc1ncc(Cl)cn1 ZINC001257465793 1128450441 /nfs/dbraw/zinc/45/04/41/1128450441.db2.gz BRTVGTRVXUIQSB-RYUDHWBXSA-N 0 1 269.820 3.825 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cccc(F)c1O ZINC000934338547 1128458611 /nfs/dbraw/zinc/45/86/11/1128458611.db2.gz XGCYMIVGMGEVTQ-TZMCWYRMSA-N 0 1 299.345 3.550 20 0 CHADMN COCc1ccc(CNCc2ccc3ccccc3c2)o1 ZINC000126206896 1128462316 /nfs/dbraw/zinc/46/23/16/1128462316.db2.gz RFBUBJLLWAVSFB-UHFFFAOYSA-N 0 1 281.355 3.869 20 0 CHADMN C=CC[C@@H](C(=O)NOCc1ccccc1)c1ccccc1 ZINC000187494871 1128462895 /nfs/dbraw/zinc/46/28/95/1128462895.db2.gz RFYXKFXIZHUQSF-QGZVFWFLSA-N 0 1 281.355 3.594 20 0 CHADMN Cc1n[nH]cc1CN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000126481019 1128464122 /nfs/dbraw/zinc/46/41/22/1128464122.db2.gz GJUAJKMJQPFMEL-UHFFFAOYSA-N 0 1 287.794 3.661 20 0 CHADMN C[C@@H](N[C@@H]1CC=CC[C@H]1C)c1ncc(C(C)(C)C)o1 ZINC000934623940 1128465002 /nfs/dbraw/zinc/46/50/02/1128465002.db2.gz TZVOVHGKOZIDSB-JHJVBQTASA-N 0 1 262.397 3.977 20 0 CHADMN CSCC(C)(C)NCc1coc(-c2cccs2)n1 ZINC000934676924 1128465634 /nfs/dbraw/zinc/46/56/34/1128465634.db2.gz MQMBWURZHOWRLM-UHFFFAOYSA-N 0 1 282.434 3.634 20 0 CHADMN Fc1cc(CN[C@H](c2ccncc2)C2CC2)cnc1Cl ZINC000934696122 1128466305 /nfs/dbraw/zinc/46/63/05/1128466305.db2.gz CZHCNLQWIJCOGV-AWEZNQCLSA-N 0 1 291.757 3.510 20 0 CHADMN Cc1ccc(F)c(CN[C@H](c2ccncc2)C2CC2)c1 ZINC000934700933 1128467083 /nfs/dbraw/zinc/46/70/83/1128467083.db2.gz ZAOUDYYBNUBUSO-KRWDZBQOSA-N 0 1 270.351 3.770 20 0 CHADMN Cc1ccc(CN[C@H](c2ccncc2)C2CC2)c(Cl)n1 ZINC000934701138 1128467409 /nfs/dbraw/zinc/46/74/09/1128467409.db2.gz KYSURHMDHXCHSC-HNNXBMFYSA-N 0 1 287.794 3.679 20 0 CHADMN CCC[C@@H](C)CC[C@@H](C)NCc1nccc(Cl)n1 ZINC001257470120 1128468058 /nfs/dbraw/zinc/46/80/58/1128468058.db2.gz FPSDKGHELPQBLA-VXGBXAGGSA-N 0 1 269.820 3.825 20 0 CHADMN CC(C)c1nnc(CNC2(C3CCCCC3)CC2)s1 ZINC000934789873 1128469218 /nfs/dbraw/zinc/46/92/18/1128469218.db2.gz OGFZPVBAATZNSN-UHFFFAOYSA-N 0 1 279.453 3.864 20 0 CHADMN COc1ccccc1/C=C/CN1CCc2ccsc2C1 ZINC000127067508 1128472512 /nfs/dbraw/zinc/47/25/12/1128472512.db2.gz IXGHRRYGCQWNMW-GQCTYLIASA-N 0 1 285.412 3.828 20 0 CHADMN C[C@H]1CCN(Cc2nc(C3CCCC3)no2)C[C@H](C)C1 ZINC000127081944 1128472614 /nfs/dbraw/zinc/47/26/14/1128472614.db2.gz LNUNAHNZUJIERV-QWHCGFSZSA-N 0 1 277.412 3.595 20 0 CHADMN Cc1cccc(CN[C@@H]2c3cccc(F)c3CC[C@@H]2C)n1 ZINC000127210861 1128474262 /nfs/dbraw/zinc/47/42/62/1128474262.db2.gz OXLOPWBIFAONJJ-SGTLLEGYSA-N 0 1 284.378 3.942 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000563892842 1128483380 /nfs/dbraw/zinc/48/33/80/1128483380.db2.gz VPAARBSHNHQZDN-KRWDZBQOSA-N 0 1 283.371 3.587 20 0 CHADMN CCN(Cc1noc(-c2ccccc2)n1)[C@@H](C)C(C)C ZINC000067661251 1128486654 /nfs/dbraw/zinc/48/66/54/1128486654.db2.gz KDDNBAVWRQVZDN-ZDUSSCGKSA-N 0 1 273.380 3.603 20 0 CHADMN c1c(CN2CCC(C3CCCCC3)CC2)nc2ncccn12 ZINC000917134221 1128487019 /nfs/dbraw/zinc/48/70/19/1128487019.db2.gz QRVKTBNOFNEFFW-UHFFFAOYSA-N 0 1 298.434 3.522 20 0 CHADMN C[C@H](c1ccncc1)N(C)Cc1cccc(Cl)c1 ZINC000067715602 1128487455 /nfs/dbraw/zinc/48/74/55/1128487455.db2.gz RADRSHANJHVABR-GFCCVEGCSA-N 0 1 260.768 3.928 20 0 CHADMN CCN(c1ccc(NCc2cnc(C)nc2)cc1)C(C)C ZINC000917140701 1128488077 /nfs/dbraw/zinc/48/80/77/1128488077.db2.gz OUWZJUPWMOFHGO-UHFFFAOYSA-N 0 1 284.407 3.632 20 0 CHADMN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccccn2)c1 ZINC000089724735 1128492449 /nfs/dbraw/zinc/49/24/49/1128492449.db2.gz GYTKQRGVSIINTO-HOCLYGCPSA-N 0 1 295.386 3.613 20 0 CHADMN Oc1cccc(CN2CCSC[C@@H]2c2ccccc2)c1 ZINC000128386454 1128494734 /nfs/dbraw/zinc/49/47/34/1128494734.db2.gz PAHTXCFMVQEOKY-QGZVFWFLSA-N 0 1 285.412 3.682 20 0 CHADMN COC1CCC(=Nc2nc(C)ccc2Br)CC1 ZINC001212873268 1129231262 /nfs/dbraw/zinc/23/12/62/1129231262.db2.gz HBYFMXVKMCLUBG-NSHDSACASA-N 0 1 297.196 3.647 20 0 CHADMN CCc1ccc([C@H](C)NC[C@H](O)c2c(F)cccc2F)o1 ZINC000090078638 1128510981 /nfs/dbraw/zinc/51/09/81/1128510981.db2.gz RWYIKRRQGDCIEL-HZMBPMFUSA-N 0 1 295.329 3.504 20 0 CHADMN CC[C@@H](C)N(C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000068450028 1128511918 /nfs/dbraw/zinc/51/19/18/1128511918.db2.gz DYOSHGKJAGGFSH-GFCCVEGCSA-N 0 1 282.815 3.626 20 0 CHADMN C[C@@H]1C[C@@H](Nc2ccc3cnccc3c2)C[C@H](C)O1 ZINC000567127700 1128558298 /nfs/dbraw/zinc/55/82/98/1128558298.db2.gz MFXJPDLVTMULCB-DRXBFXEBSA-N 0 1 256.349 3.603 20 0 CHADMN Fc1ccc(Cl)cc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000564725913 1128514134 /nfs/dbraw/zinc/51/41/34/1128514134.db2.gz GCBUGAXIHOVFCL-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN Fc1ccc(Cl)cc1CN1CC[C@H](c2cccnc2)C1 ZINC000564725913 1128514137 /nfs/dbraw/zinc/51/41/37/1128514137.db2.gz GCBUGAXIHOVFCL-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN CCc1noc(CC)c1CNCc1cccc(CC)c1 ZINC000565080034 1128519487 /nfs/dbraw/zinc/51/94/87/1128519487.db2.gz SAKOIHUFIXLGPV-UHFFFAOYSA-N 0 1 272.392 3.652 20 0 CHADMN C[N@@H+](CC[C@@H](C(=O)[O-])c1ccccc1)C1CCCCCC1 ZINC000565105669 1128519782 /nfs/dbraw/zinc/51/97/82/1128519782.db2.gz UPXRZCOLUPTCLG-QGZVFWFLSA-N 0 1 289.419 3.900 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cnoc2C)cc1 ZINC000129917475 1128558989 /nfs/dbraw/zinc/55/89/89/1128558989.db2.gz VZXVVLLNFCLAOB-UHFFFAOYSA-N 0 1 258.365 3.570 20 0 CHADMN Cc1ccnc([C@@H]2CCN(Cc3nc4ccccc4o3)C2)c1 ZINC000565371884 1128525082 /nfs/dbraw/zinc/52/50/82/1128525082.db2.gz TZTZOXGASPMMRF-CQSZACIVSA-N 0 1 293.370 3.521 20 0 CHADMN C[N@@H+](CCCCCC(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000565428549 1128526043 /nfs/dbraw/zinc/52/60/43/1128526043.db2.gz YEANLKFWWYIFRI-MRXNPFEDSA-N 0 1 275.392 3.641 20 0 CHADMN CCCc1csc(CN(C(C)C)C2CCC2)n1 ZINC000565634425 1128529499 /nfs/dbraw/zinc/52/94/99/1128529499.db2.gz KSWLHEPOXHTIPQ-UHFFFAOYSA-N 0 1 252.427 3.859 20 0 CHADMN Cc1oc([C@H](C)[N@@H+](C)Cc2cccc(C)c2)cc1C(=O)[O-] ZINC000565721899 1128531448 /nfs/dbraw/zinc/53/14/48/1128531448.db2.gz XUHQEBCDMSZZCK-LBPRGKRZSA-N 0 1 287.359 3.788 20 0 CHADMN Cc1ccc2oc(CN[C@@H](C)c3cnc(C)nc3C)cc2c1 ZINC000565961143 1128536210 /nfs/dbraw/zinc/53/62/10/1128536210.db2.gz AHVJFXZGKTVXFC-LBPRGKRZSA-N 0 1 295.386 3.999 20 0 CHADMN C[C@@H]1CC[N@@H+](CC[C@H](C(=O)[O-])c2ccccc2)CC1(C)C ZINC000566361533 1128542690 /nfs/dbraw/zinc/54/26/90/1128542690.db2.gz KSTSFMLMESRHIR-ZBFHGGJFSA-N 0 1 289.419 3.613 20 0 CHADMN Cc1cccc(Cl)c1C[N@@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000566366446 1128543725 /nfs/dbraw/zinc/54/37/25/1128543725.db2.gz BXKVEYGPOOUQLL-MRXNPFEDSA-N 0 1 295.810 3.581 20 0 CHADMN CCOc1ccc2nc(S[C@@H]3CCO[C@H](C)C3)[nH]c2c1 ZINC000566496546 1128545759 /nfs/dbraw/zinc/54/57/59/1128545759.db2.gz JJCQUPSURYBNEP-ZYHUDNBSSA-N 0 1 292.404 3.621 20 0 CHADMN C[C@@H](c1ccco1)N(CCOC1CCSCC1)C1CC1 ZINC000930024933 1128545936 /nfs/dbraw/zinc/54/59/36/1128545936.db2.gz WCNHQVHALMXZFZ-ZDUSSCGKSA-N 0 1 295.448 3.717 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1cc(C(C)(C)C)on1 ZINC000566589994 1128547354 /nfs/dbraw/zinc/54/73/54/1128547354.db2.gz QPANYRULOAUOPC-DGCLKSJQSA-N 0 1 250.386 3.735 20 0 CHADMN Cc1oncc1CN[C@@H](C)c1cccc2ccccc21 ZINC000129692365 1128550637 /nfs/dbraw/zinc/55/06/37/1128550637.db2.gz HOLZQTKOMZZKQA-LBPRGKRZSA-N 0 1 266.344 3.987 20 0 CHADMN COc1cccc2c1CC[C@H]2NCc1noc2ccccc12 ZINC000567061273 1128557485 /nfs/dbraw/zinc/55/74/85/1128557485.db2.gz RQCAKHANEZCEDX-OAHLLOKOSA-N 0 1 294.354 3.614 20 0 CHADMN C[C@H]1CN(C(=O)c2cc(Cl)ccc2O)c2ccccc21 ZINC000130062061 1128563858 /nfs/dbraw/zinc/56/38/58/1128563858.db2.gz ZFHUDKUVVRMAEQ-JTQLQIEISA-N 0 1 287.746 3.810 20 0 CHADMN CC(C)CC[C@H]1CCCCN1Cc1noc2c1COCC2 ZINC000930034615 1128564415 /nfs/dbraw/zinc/56/44/15/1128564415.db2.gz TWXNPFJWPATLBN-CQSZACIVSA-N 0 1 292.423 3.538 20 0 CHADMN CCc1[nH]ncc1C(=O)N(C)c1ccc(C(C)(C)C)cc1 ZINC000918684252 1128564709 /nfs/dbraw/zinc/56/47/09/1128564709.db2.gz AVNNDJSMUIFKMS-UHFFFAOYSA-N 0 1 285.391 3.546 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000567471439 1128565372 /nfs/dbraw/zinc/56/53/72/1128565372.db2.gz LUQXALVOFOFKEN-ILXRZTDVSA-N 0 1 269.429 3.636 20 0 CHADMN CC(C)[C@@H](Cc1ccc(F)cc1)NCC(C)(F)F ZINC000556234073 1128566542 /nfs/dbraw/zinc/56/65/42/1128566542.db2.gz UMAPETDQNXQEAD-CYBMUJFWSA-N 0 1 259.315 3.638 20 0 CHADMN C[C@@H]1CCC[C@@H](CCNC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000070549582 1128567439 /nfs/dbraw/zinc/56/74/39/1128567439.db2.gz VRURECLHEGDDOL-NEPJUHHUSA-N 0 1 295.810 3.992 20 0 CHADMN CC[C@H](C)[C@@H]([NH2+]Cc1c[nH]cn1)c1ccc(Cl)cc1 ZINC000556665313 1128613444 /nfs/dbraw/zinc/61/34/44/1128613444.db2.gz AICITVHKLXXGOT-XHDPSFHLSA-N 0 1 277.799 3.940 20 0 CHADMN Cc1ccccc1C[N@@H+](C)Cc1ccc(C(F)F)nc1 ZINC000637847077 1129231835 /nfs/dbraw/zinc/23/18/35/1129231835.db2.gz GIKOXFGVTJMSET-UHFFFAOYSA-N 0 1 276.330 3.960 20 0 CHADMN Cc1ccccc1CN(C)Cc1ccc(C(F)F)nc1 ZINC000637847077 1129231837 /nfs/dbraw/zinc/23/18/37/1129231837.db2.gz GIKOXFGVTJMSET-UHFFFAOYSA-N 0 1 276.330 3.960 20 0 CHADMN C[C@H]1CN(C[C@@H]2CCC3(CCCCC3)O2)CC2(CCC2)O1 ZINC000567811187 1128572109 /nfs/dbraw/zinc/57/21/09/1128572109.db2.gz WLEMEVRCAQOBPF-HOTGVXAUSA-N 0 1 293.451 3.512 20 0 CHADMN CN(Cc1ncc(-c2ccccc2F)o1)C(C)(C)C ZINC000567810993 1128572132 /nfs/dbraw/zinc/57/21/32/1128572132.db2.gz OFQHRKIJBTXDJH-UHFFFAOYSA-N 0 1 262.328 3.711 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccnn1C1CCCC1)CC2 ZINC000567838672 1128573042 /nfs/dbraw/zinc/57/30/42/1128573042.db2.gz HAZWJRKSMXGNGW-SFHVURJKSA-N 0 1 299.393 3.914 20 0 CHADMN COc1c(O)cccc1CNCc1cc2ccccc2s1 ZINC000567931709 1128574382 /nfs/dbraw/zinc/57/43/82/1128574382.db2.gz RJWKXNKXRRYDNB-UHFFFAOYSA-N 0 1 299.395 3.905 20 0 CHADMN CCn1nc(C)c(CN(Cc2cccs2)C2CC2)c1C ZINC000130246261 1128574948 /nfs/dbraw/zinc/57/49/48/1128574948.db2.gz SWEBPBHKLHGYRL-UHFFFAOYSA-N 0 1 289.448 3.746 20 0 CHADMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC000568065811 1128576883 /nfs/dbraw/zinc/57/68/83/1128576883.db2.gz HJGMWKSAKLJAPV-IAGOWNOFSA-N 0 1 289.419 3.585 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3cscc3Br)C[C@@H]21 ZINC000568119017 1128578045 /nfs/dbraw/zinc/57/80/45/1128578045.db2.gz ZDMWQZMCINVEDM-AOOOYVTPSA-N 0 1 286.238 3.598 20 0 CHADMN CC(C)C1CCC(CN2CCOC[C@@H]2CC(F)F)CC1 ZINC000568444805 1128584971 /nfs/dbraw/zinc/58/49/71/1128584971.db2.gz BCUFPHXEMMKARO-NRXISQOPSA-N 0 1 289.410 3.805 20 0 CHADMN CC(C)(C)c1[nH]ncc1C(=O)Nc1cccc2c1CCCC2 ZINC000568536470 1128586863 /nfs/dbraw/zinc/58/68/63/1128586863.db2.gz LPIWTGUHYCYIHG-UHFFFAOYSA-N 0 1 297.402 3.838 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000568641917 1128588995 /nfs/dbraw/zinc/58/89/95/1128588995.db2.gz UPIPKTLZSKJQPJ-OAHLLOKOSA-N 0 1 267.413 3.676 20 0 CHADMN C=Cc1ccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)cc1 ZINC000556434170 1128589952 /nfs/dbraw/zinc/58/99/52/1128589952.db2.gz BVYNWLAMALQEGK-UHFFFAOYSA-N 0 1 281.290 3.597 20 0 CHADMN Cc1cc(C)c(Cn2cnc(Cc3ccccc3)c2)c(C)n1 ZINC000919155915 1128591848 /nfs/dbraw/zinc/59/18/48/1128591848.db2.gz IZWJGGXLHKBAGV-UHFFFAOYSA-N 0 1 291.398 3.842 20 0 CHADMN CC(C)C[C@@H](N)c1noc(CCCSC(C)(C)C)n1 ZINC000842586703 1128593569 /nfs/dbraw/zinc/59/35/69/1128593569.db2.gz WOENYHXLBIXBHK-LLVKDONJSA-N 0 1 285.457 3.580 20 0 CHADMN CC[C@@H](C(=O)O[C@@H](C(C)(C)C)C(F)(F)F)N(CC)CC ZINC000778690461 1128601508 /nfs/dbraw/zinc/60/15/08/1128601508.db2.gz QZLUYMQCJDPFSJ-JQWIXIFHSA-N 0 1 297.361 3.627 20 0 CHADMN Cc1ccc(-c2cc(C(=O)O[C@H](C)c3ccccc3)[nH]n2)o1 ZINC000919329279 1128601987 /nfs/dbraw/zinc/60/19/87/1128601987.db2.gz NAZMUTPJCVXXOY-GFCCVEGCSA-N 0 1 296.326 3.896 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN(C)[C@@H](C)c2ccco2)o1 ZINC000131042839 1128603740 /nfs/dbraw/zinc/60/37/40/1128603740.db2.gz WZIIADWHMLGSIC-LBPRGKRZSA-N 0 1 285.347 3.764 20 0 CHADMN Cc1ccc2nc(CNC(=O)C=CC3CCCCC3)[nH]c2c1 ZINC000174882371 1128604081 /nfs/dbraw/zinc/60/40/81/1128604081.db2.gz YDXUOKLXFKAJPP-CSKARUKUSA-N 0 1 297.402 3.624 20 0 CHADMN CCOc1cccc(C[NH2+]Cc2ccc([O-])c(Cl)c2)c1 ZINC000043480130 1128604867 /nfs/dbraw/zinc/60/48/67/1128604867.db2.gz QZHQPUAEEIOQKW-UHFFFAOYSA-N 0 1 291.778 3.734 20 0 CHADMN CC(C)CC[C@@H](O)CN1CCc2cccc(F)c2[C@@H]1C ZINC000569660671 1128606864 /nfs/dbraw/zinc/60/68/64/1128606864.db2.gz WVDUVPVVTSWRMK-DZGCQCFKSA-N 0 1 279.399 3.542 20 0 CHADMN CCOc1ccc(CN(C)[C@H](C)c2ccco2)cc1OC ZINC000131137153 1128607364 /nfs/dbraw/zinc/60/73/64/1128607364.db2.gz PXZJFPLPDRNBGK-CYBMUJFWSA-N 0 1 289.375 3.880 20 0 CHADMN Cc1oc([C@@H](C)[N@@H+](C)CCc2ccccc2)cc1C(=O)[O-] ZINC000569732527 1128608323 /nfs/dbraw/zinc/60/83/23/1128608323.db2.gz MSSBJRHENYRLOT-GFCCVEGCSA-N 0 1 287.359 3.522 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)c1cn[nH]c1C(C)(C)C ZINC000569828901 1128610338 /nfs/dbraw/zinc/61/03/38/1128610338.db2.gz MENRSDWVPPEZHR-UHFFFAOYSA-N 0 1 291.782 3.921 20 0 CHADMN C[C@H](C[N@@H+](CC(=O)[O-])Cc1ccccc1)C1CCCCC1 ZINC000569857072 1128610888 /nfs/dbraw/zinc/61/08/88/1128610888.db2.gz NDFZEXZCPDSQGN-OAHLLOKOSA-N 0 1 289.419 3.790 20 0 CHADMN C[C@@H]1CCCN(Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000131258011 1128610957 /nfs/dbraw/zinc/61/09/57/1128610957.db2.gz WJLKSCXQWRRQSX-LLVKDONJSA-N 0 1 292.329 3.852 20 0 CHADMN CCN(C(=O)c1[nH]nc2ccccc21)[C@H]1CCCC[C@H]1C ZINC000170773923 1128616553 /nfs/dbraw/zinc/61/65/53/1128616553.db2.gz KFGONDKOMMPJMK-DOMZBBRYSA-N 0 1 285.391 3.604 20 0 CHADMN COCCN1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000569915282 1128612365 /nfs/dbraw/zinc/61/23/65/1128612365.db2.gz HNSFCRWTEHHKSO-UHFFFAOYSA-N 0 1 288.218 3.819 20 0 CHADMN COc1cc(F)cc(C[C@@H](C)N[C@H](C)c2cscn2)c1 ZINC000570404454 1128623793 /nfs/dbraw/zinc/62/37/93/1128623793.db2.gz IQJDSEFNIFIDSH-GHMZBOCLSA-N 0 1 294.395 3.573 20 0 CHADMN C[C@@H]1c2ccsc2CCN1Cc1ccc(-c2cc[nH]n2)o1 ZINC000570503435 1128624849 /nfs/dbraw/zinc/62/48/49/1128624849.db2.gz DROHUVWFOCKWLX-LLVKDONJSA-N 0 1 299.399 3.851 20 0 CHADMN C[C@@H](F)CCN1CCCC[C@H]1c1nc2ccccc2n1C ZINC000556811941 1128626404 /nfs/dbraw/zinc/62/64/04/1128626404.db2.gz NULPPMYOJFDKET-CJNGLKHVSA-N 0 1 289.398 3.848 20 0 CHADMN CC[C@](C)(NCCOc1ccccc1F)c1nccs1 ZINC000072683757 1128628310 /nfs/dbraw/zinc/62/83/10/1128628310.db2.gz AGVVEZJHZZLRHE-HNNXBMFYSA-N 0 1 294.395 3.576 20 0 CHADMN CC(C)(C)C[N@@H+](Cc1ccccc1)CC1(CC(=O)[O-])CC1 ZINC000570689839 1128629610 /nfs/dbraw/zinc/62/96/10/1128629610.db2.gz XCPUNIQKEAMSMM-UHFFFAOYSA-N 0 1 289.419 3.790 20 0 CHADMN CO[C@](C)(CN(Cc1ccco1)Cc1ccco1)C1CC1 ZINC000637864035 1129231924 /nfs/dbraw/zinc/23/19/24/1129231924.db2.gz KNOZNVPZAFJMQJ-QGZVFWFLSA-N 0 1 289.375 3.690 20 0 CHADMN Cc1ccc(OCCN[C@@H](C)c2cccnc2Cl)cc1 ZINC000156266064 1128632831 /nfs/dbraw/zinc/63/28/31/1128632831.db2.gz HNIDODQZDCAIMC-ZDUSSCGKSA-N 0 1 290.794 3.773 20 0 CHADMN Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccccc2C(=O)[O-])cc1 ZINC000572049743 1128641466 /nfs/dbraw/zinc/64/14/66/1128641466.db2.gz XGDQKGAVOAVWDW-OAHLLOKOSA-N 0 1 297.398 3.756 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](c2ccccc2F)[C@@H](C)O)cs1 ZINC000572126783 1128642586 /nfs/dbraw/zinc/64/25/86/1128642586.db2.gz LZDARVJKECRTOV-HWWQOWPSSA-N 0 1 293.407 3.968 20 0 CHADMN Cc1cc(F)ccc1-c1ccc(CN(C)[C@H]2CCOC2)o1 ZINC000132099556 1128642774 /nfs/dbraw/zinc/64/27/74/1128642774.db2.gz SIKQBDKWSGCOED-AWEZNQCLSA-N 0 1 289.350 3.615 20 0 CHADMN CN(Cc1ccc(OCC(F)(F)F)cc1)CC1(F)CC1 ZINC000572764404 1128647804 /nfs/dbraw/zinc/64/78/04/1128647804.db2.gz UCOOYXZUCQDZGT-UHFFFAOYSA-N 0 1 291.288 3.562 20 0 CHADMN CC[C@@H](NCc1ccc(C)o1)c1cccc(OC)c1 ZINC000631727494 1128650274 /nfs/dbraw/zinc/65/02/74/1128650274.db2.gz BZFGFUSAURUMEA-MRXNPFEDSA-N 0 1 259.349 3.838 20 0 CHADMN Cc1cccc(CN[C@@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000573283539 1128652874 /nfs/dbraw/zinc/65/28/74/1128652874.db2.gz RMZOARDVEMJKLP-SFHVURJKSA-N 0 1 286.394 3.527 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000573379403 1128653663 /nfs/dbraw/zinc/65/36/63/1128653663.db2.gz GFEPBBHIFLEANI-SJLPKXTDSA-N 0 1 289.419 3.585 20 0 CHADMN CC(C)[C@@H]1CN(Cc2cc(F)cc(Cl)c2)CCCO1 ZINC000556980826 1128655658 /nfs/dbraw/zinc/65/56/58/1128655658.db2.gz JLAFHLCIBNAMQE-HNNXBMFYSA-N 0 1 285.790 3.726 20 0 CHADMN c1cncc(CN(C[C@@H]2CCCC3(CCC3)O2)C2CC2)c1 ZINC000930111949 1128657993 /nfs/dbraw/zinc/65/79/93/1128657993.db2.gz JCGIWWWGKUBLLX-KRWDZBQOSA-N 0 1 286.419 3.538 20 0 CHADMN CCCCN(CC)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000132650382 1128659323 /nfs/dbraw/zinc/65/93/23/1128659323.db2.gz NHRDDCLHERKXFM-NSHDSACASA-N 0 1 279.409 3.981 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CC/C=C\c1ccccc1 ZINC000575188422 1128665736 /nfs/dbraw/zinc/66/57/36/1128665736.db2.gz XXJBMQKSSSGFGS-MRDWYFFCSA-N 0 1 275.392 3.521 20 0 CHADMN CC1(C)CC[C@H](CN2CC[C@@](F)(c3ccccc3)C2)O1 ZINC000574057301 1128661412 /nfs/dbraw/zinc/66/14/12/1128661412.db2.gz JYJIDGGFLHXSKM-WBVHZDCISA-N 0 1 277.383 3.515 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1N(C)Cc1ncc(COC)s1 ZINC000574121913 1128661981 /nfs/dbraw/zinc/66/19/81/1128661981.db2.gz XDKKMVLOXRXRKR-OCCSQVGLSA-N 0 1 282.453 3.690 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCc2c(cccc2C(C)C)C1 ZINC000574922067 1128664615 /nfs/dbraw/zinc/66/46/15/1128664615.db2.gz COQATKFCKRWBMA-KRWDZBQOSA-N 0 1 289.419 3.812 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnc(Cl)c1)c1cccnc1 ZINC000158530985 1128668803 /nfs/dbraw/zinc/66/88/03/1128668803.db2.gz QDDRZSUVCLUYPT-WDEREUQCSA-N 0 1 261.756 3.542 20 0 CHADMN CSCc1cccc(-c2ccc([C@H]3COCCN3)cc2)c1 ZINC000600775853 1128680659 /nfs/dbraw/zinc/68/06/59/1128680659.db2.gz AIPOLIUHERTSNM-GOSISDBHSA-N 0 1 299.439 3.878 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(Cl)o1 ZINC000600815634 1128683263 /nfs/dbraw/zinc/68/32/63/1128683263.db2.gz IFDSYQIPZFQUMC-MEBBXXQBSA-N 0 1 261.752 3.956 20 0 CHADMN c1ccc(CN(C[C@@H]2CCC3(CCCC3)O2)C2CC2)nc1 ZINC000577965546 1128701521 /nfs/dbraw/zinc/70/15/21/1128701521.db2.gz GWENRJOCFNPGIA-KRWDZBQOSA-N 0 1 286.419 3.538 20 0 CHADMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)C1CCSCC1 ZINC000779048329 1128706641 /nfs/dbraw/zinc/70/66/41/1128706641.db2.gz JNKSRBVXSVTNTO-LBPRGKRZSA-N 0 1 296.455 3.831 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2ncc(CC)o2)C1 ZINC000076145963 1128702023 /nfs/dbraw/zinc/70/20/23/1128702023.db2.gz TXKLCSUHUGBPPI-OAHLLOKOSA-N 0 1 250.386 3.639 20 0 CHADMN CCCC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000578052370 1128705061 /nfs/dbraw/zinc/70/50/61/1128705061.db2.gz GNTICBHVIXVIOA-UHFFFAOYSA-N 0 1 295.795 3.586 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cn3ccsc3n2)c1 ZINC000134441049 1128708121 /nfs/dbraw/zinc/70/81/21/1128708121.db2.gz ZEQPXLATMVOERS-GFCCVEGCSA-N 0 1 271.389 3.555 20 0 CHADMN Cc1cnc(Cl)c(CN[C@@H](C)c2ccccc2)c1 ZINC000921476922 1128710298 /nfs/dbraw/zinc/71/02/98/1128710298.db2.gz RPUPLPZHRRARCQ-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN c1nn(C2CCC2)cc1CN[C@@H]1CCSc2ccccc21 ZINC000921488747 1128710567 /nfs/dbraw/zinc/71/05/67/1128710567.db2.gz HSJOGOWDJRMMHI-MRXNPFEDSA-N 0 1 299.443 3.935 20 0 CHADMN Cc1ccoc1CNCc1ccc(C(F)(F)F)cc1 ZINC000135136863 1128715105 /nfs/dbraw/zinc/71/51/05/1128715105.db2.gz RGGJIACUDLIUJI-UHFFFAOYSA-N 0 1 269.266 3.897 20 0 CHADMN Cc1cnc(CN2CCc3ccccc3[C@H]2C(C)C)cn1 ZINC000763454851 1128717387 /nfs/dbraw/zinc/71/73/87/1128717387.db2.gz UDOFVXGBGGCVOA-GOSISDBHSA-N 0 1 281.403 3.540 20 0 CHADMN C[C@@H]1CCCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000078967273 1128724253 /nfs/dbraw/zinc/72/42/53/1128724253.db2.gz BOUMOSBVSGSRFM-LLVKDONJSA-N 0 1 291.782 3.622 20 0 CHADMN CCN[C@@H](C)c1nc(-c2ccc(SCC)cc2)no1 ZINC000233554034 1128727762 /nfs/dbraw/zinc/72/77/62/1128727762.db2.gz YFDZGJPRKYGVHG-JTQLQIEISA-N 0 1 277.393 3.519 20 0 CHADMN CCC[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])sc2C)C1 ZINC000578778035 1128729074 /nfs/dbraw/zinc/72/90/74/1128729074.db2.gz FFXWBAMCXIHWDC-LBPRGKRZSA-N 0 1 281.421 3.767 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000578899625 1128732494 /nfs/dbraw/zinc/73/24/94/1128732494.db2.gz XTUCENYQGUVSIR-WWGRRREGSA-N 0 1 273.376 3.538 20 0 CHADMN C[C@H](NCc1cn(C)nc1C(F)F)c1ccc(Cl)cc1 ZINC000274496121 1117744882 /nfs/dbraw/zinc/74/48/82/1117744882.db2.gz QKYUELFVRHNSTB-VIFPVBQESA-N 0 1 299.752 3.862 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CC[C@@H](C)[S@](=O)CC1 ZINC000361115150 1117749699 /nfs/dbraw/zinc/74/96/99/1117749699.db2.gz WHXWPELTJFNDPD-FRQCXROJSA-N 0 1 285.497 3.602 20 0 CHADMN CC(C)N(Cc1cccs1)Cc1cn(C)nc1C(F)F ZINC000274518486 1117749980 /nfs/dbraw/zinc/74/99/80/1117749980.db2.gz XKCRHHCUPTVDHC-UHFFFAOYSA-N 0 1 299.390 3.830 20 0 CHADMN CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000049480623 1117750320 /nfs/dbraw/zinc/75/03/20/1117750320.db2.gz XPPSWLHWHNEKBT-CYBMUJFWSA-N 0 1 270.376 3.509 20 0 CHADMN CCCN(C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000049480623 1117750327 /nfs/dbraw/zinc/75/03/27/1117750327.db2.gz XPPSWLHWHNEKBT-CYBMUJFWSA-N 0 1 270.376 3.509 20 0 CHADMN COc1c(C)cnc(CN[C@H](C)c2ccsc2)c1C ZINC000061363432 1117752183 /nfs/dbraw/zinc/75/21/83/1117752183.db2.gz GTTJOCRUSSOYSS-GFCCVEGCSA-N 0 1 276.405 3.619 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)o1 ZINC000430139962 1117754985 /nfs/dbraw/zinc/75/49/85/1117754985.db2.gz MISLZDWIBNMXKY-UNEWFSDZSA-N 0 1 289.419 3.652 20 0 CHADMN Cc1c2ccccc2sc1CN(C)Cc1cncnc1 ZINC001138462884 1128734988 /nfs/dbraw/zinc/73/49/88/1128734988.db2.gz ZRGZUNSIMSTOBA-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN C[C@@H]1CN(Cc2ccc(F)c3ccccc23)C[C@@H](C)O1 ZINC001139886650 1117777279 /nfs/dbraw/zinc/77/72/79/1117777279.db2.gz BNZDWPKDUWFLJV-CHWSQXEVSA-N 0 1 273.351 3.588 20 0 CHADMN CN(C)[C@@H](CNc1nc(Cl)cs1)c1ccsc1 ZINC000858342946 1117777512 /nfs/dbraw/zinc/77/75/12/1117777512.db2.gz VOMXEDKYSNHBEF-VIFPVBQESA-N 0 1 287.841 3.573 20 0 CHADMN Oc1cc(F)c(-c2ncc(C(F)(F)F)cc2F)cc1F ZINC001206760609 1117778630 /nfs/dbraw/zinc/77/86/30/1117778630.db2.gz AGOLLRNNIIATRT-UHFFFAOYSA-N 0 1 293.166 3.890 20 0 CHADMN OCC[C@H]1CCCCCN1Cc1cc(Cl)ccc1F ZINC000671247167 1117785403 /nfs/dbraw/zinc/78/54/03/1117785403.db2.gz XORRGUCZBCAECM-CQSZACIVSA-N 0 1 285.790 3.606 20 0 CHADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Br)cs2)C1 ZINC000125697422 1117787523 /nfs/dbraw/zinc/78/75/23/1117787523.db2.gz MURMEIHLUPIVJQ-RKDXNWHRSA-N 0 1 274.227 3.741 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2cc(Br)cs2)C1 ZINC000125697422 1117787530 /nfs/dbraw/zinc/78/75/30/1117787530.db2.gz MURMEIHLUPIVJQ-RKDXNWHRSA-N 0 1 274.227 3.741 20 0 CHADMN C[C@H]1CN(Cc2cc(Cl)c(O)cc2F)CCC1(F)F ZINC001238142188 1117790836 /nfs/dbraw/zinc/79/08/36/1117790836.db2.gz CSJUNHDTXMXWBG-QMMMGPOBSA-N 0 1 293.716 3.662 20 0 CHADMN Cc1ccc(-c2noc(CN3CCCC34CCC4)n2)cc1 ZINC000562471425 1117791110 /nfs/dbraw/zinc/79/11/10/1117791110.db2.gz OXOBPNNBAQURGG-UHFFFAOYSA-N 0 1 283.375 3.564 20 0 CHADMN COc1cc(CN[C@@H]2CCc3cc(Cl)ccc32)sn1 ZINC000399086728 1117792451 /nfs/dbraw/zinc/79/24/51/1117792451.db2.gz VBXTZHRDXRCSSY-CYBMUJFWSA-N 0 1 294.807 3.582 20 0 CHADMN CCC[C@@]1(CO)CCN([C@H](C)c2cc(F)ccc2F)C1 ZINC000579034592 1128735735 /nfs/dbraw/zinc/73/57/35/1128735735.db2.gz KHKXFXZCVRHDNY-MLGOLLRUSA-N 0 1 283.362 3.510 20 0 CHADMN Cc1nc(C[N@H+](C)[C@@H](C)Cc2ccccc2C)oc1C ZINC000579793901 1117805540 /nfs/dbraw/zinc/80/55/40/1117805540.db2.gz HVGCKKYCWGACCF-ZDUSSCGKSA-N 0 1 272.392 3.663 20 0 CHADMN Cc1nc(CN(C)[C@@H](C)Cc2ccccc2C)oc1C ZINC000579793901 1117805549 /nfs/dbraw/zinc/80/55/49/1117805549.db2.gz HVGCKKYCWGACCF-ZDUSSCGKSA-N 0 1 272.392 3.663 20 0 CHADMN Cc1ccc(OC(F)F)c(CN(C)CC2=CCSC2)c1 ZINC000662266964 1117806904 /nfs/dbraw/zinc/80/69/04/1117806904.db2.gz OUSYFDHQYUBPKV-UHFFFAOYSA-N 0 1 299.386 3.701 20 0 CHADMN FC(F)(F)C1CCN(Cc2cncc(C3CC3)c2)CC1 ZINC001238182811 1117812445 /nfs/dbraw/zinc/81/24/45/1117812445.db2.gz XSNNHOXTRCAAEG-UHFFFAOYSA-N 0 1 284.325 3.733 20 0 CHADMN CCN(CCC(F)(F)F)Cc1cc(C)ccc1OC ZINC000623121708 1117815164 /nfs/dbraw/zinc/81/51/64/1117815164.db2.gz DZMADAJFIHJLPI-UHFFFAOYSA-N 0 1 275.314 3.778 20 0 CHADMN CCN(CCC(F)(F)F)Cc1ccc(F)c(F)c1 ZINC000623121874 1117815362 /nfs/dbraw/zinc/81/53/62/1117815362.db2.gz QQOPTLCAMCLORI-UHFFFAOYSA-N 0 1 267.241 3.739 20 0 CHADMN C[C@H](CCC(C)(C)C)Nc1cnn(-c2ccncc2)c1 ZINC000671299922 1117816979 /nfs/dbraw/zinc/81/69/79/1117816979.db2.gz SSBQBAQPXLUVCL-CYBMUJFWSA-N 0 1 272.396 3.894 20 0 CHADMN c1cc([C@@H]2CCCCN2CCCCOc2ccccc2)n[nH]1 ZINC000510073614 1117823025 /nfs/dbraw/zinc/82/30/25/1117823025.db2.gz PDWIEUOMXNUSMC-SFHVURJKSA-N 0 1 299.418 3.796 20 0 CHADMN CCN(C(=O)c1cccc(F)c1O)c1ccc(C)cc1C ZINC001125285229 1117823510 /nfs/dbraw/zinc/82/35/10/1117823510.db2.gz XHVJXCMRXLTADN-UHFFFAOYSA-N 0 1 287.334 3.815 20 0 CHADMN C[C@H]1C[C@@H](N2CCc3n[nH]cc3C2)C[C@@H](c2ccccc2)C1 ZINC000623238396 1117824700 /nfs/dbraw/zinc/82/47/00/1117824700.db2.gz DUMROJWYSXFGIA-UWWQBHOKSA-N 0 1 295.430 3.740 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2csc(-c3ccccn3)n2)C1 ZINC000124160724 1117824727 /nfs/dbraw/zinc/82/47/27/1117824727.db2.gz GITHIOSSQLBNJM-STQMWFEESA-N 0 1 287.432 3.683 20 0 CHADMN CS[C@@H](C)CCN(C)Cc1cccc(F)c1F ZINC001208147958 1117827729 /nfs/dbraw/zinc/82/77/29/1117827729.db2.gz KUCXFGFCHZDTTD-JTQLQIEISA-N 0 1 259.365 3.538 20 0 CHADMN CCSc1ccc(-c2noc([C@H]3CCCCN3)n2)cc1 ZINC000233836119 1128737384 /nfs/dbraw/zinc/73/73/84/1128737384.db2.gz WOOYSLZLQCLZAT-CYBMUJFWSA-N 0 1 289.404 3.663 20 0 CHADMN COc1ccnc(CN2CCCC[C@@H]2c2ccccc2)c1 ZINC000358035809 1117831855 /nfs/dbraw/zinc/83/18/55/1117831855.db2.gz JJCXAHUBKAZVFK-GOSISDBHSA-N 0 1 282.387 3.817 20 0 CHADMN Cc1ccc([C@H](C)CCN2CC3(C2)CC(F)(F)C3)o1 ZINC001208153097 1117837548 /nfs/dbraw/zinc/83/75/48/1117837548.db2.gz XEUWUIBWMRHJRV-LLVKDONJSA-N 0 1 269.335 3.813 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNCc2cccc3n[nH]cc32)o1 ZINC000623362939 1117841845 /nfs/dbraw/zinc/84/18/45/1117841845.db2.gz QQEUHVPIRAUUDN-SMDDNHRTSA-N 0 1 281.359 3.569 20 0 CHADMN C[C@@H]1C[C@@H]1C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000683183296 1117842113 /nfs/dbraw/zinc/84/21/13/1117842113.db2.gz ZDDMXJDLTJJHLN-RISCZKNCSA-N 0 1 291.354 3.824 20 0 CHADMN CCc1noc(CN[C@H]2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000119077540 1117843127 /nfs/dbraw/zinc/84/31/27/1117843127.db2.gz MCUOOAULFHSTRC-CVEARBPZSA-N 0 1 299.418 3.523 20 0 CHADMN Fc1cc2cccnc2c(CNc2cc3c(cn2)CCC3)c1 ZINC000339553344 1117850016 /nfs/dbraw/zinc/85/00/16/1117850016.db2.gz IERICJHQOSJGQC-UHFFFAOYSA-N 0 1 293.345 3.870 20 0 CHADMN Cc1nn(C)cc1CN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000126006688 1117850699 /nfs/dbraw/zinc/85/06/99/1117850699.db2.gz JXYFHWIENFTRRH-ZDUSSCGKSA-N 0 1 283.375 3.668 20 0 CHADMN CC[C@@H]1CC[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000430198714 1117853285 /nfs/dbraw/zinc/85/32/85/1117853285.db2.gz ZRCYOLFUTUYBQI-SNVBAGLBSA-N 0 1 275.726 3.926 20 0 CHADMN CC[C@@H]1CCN1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000430198714 1117853289 /nfs/dbraw/zinc/85/32/89/1117853289.db2.gz ZRCYOLFUTUYBQI-SNVBAGLBSA-N 0 1 275.726 3.926 20 0 CHADMN Cc1nc2ccc(CNc3cc4c(cn3)CCC4)cc2s1 ZINC000339558084 1117855172 /nfs/dbraw/zinc/85/51/72/1117855172.db2.gz ZOGYSFLIQRVNAR-UHFFFAOYSA-N 0 1 295.411 3.522 20 0 CHADMN CC[C@H]1CCN1Cc1c(Cl)cccc1N1CCCC1 ZINC000430199898 1117856407 /nfs/dbraw/zinc/85/64/07/1117856407.db2.gz SGJRPFIJRSSMDQ-ZDUSSCGKSA-N 0 1 278.827 3.925 20 0 CHADMN C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000185643920 1117862567 /nfs/dbraw/zinc/86/25/67/1117862567.db2.gz CKTUGWPFNKILLY-UVBJJODRSA-N 0 1 297.826 3.637 20 0 CHADMN O=C(CN1CCCC1)Nc1ccc2oc3ccccc3c2c1 ZINC000007445066 1117866792 /nfs/dbraw/zinc/86/67/92/1117866792.db2.gz HRZCAVVFGYQAPE-UHFFFAOYSA-N 0 1 294.354 3.620 20 0 CHADMN C[C@H]1SCC[C@@H]1NCc1c(F)ccc(F)c1Cl ZINC000623558721 1117871581 /nfs/dbraw/zinc/87/15/81/1117871581.db2.gz GVKIKXPBPTXOLU-HQJQHLMTSA-N 0 1 277.767 3.602 20 0 CHADMN c1cn(Cc2ccccc2)c(CN[C@H]2CC23CCCCC3)n1 ZINC000623568217 1117874105 /nfs/dbraw/zinc/87/41/05/1117874105.db2.gz UHHZPKMTGLMNRU-KRWDZBQOSA-N 0 1 295.430 3.744 20 0 CHADMN COc1c(Br)cc(C)cc1CN1CC[C@@H](C)C1 ZINC001238318664 1117875702 /nfs/dbraw/zinc/87/57/02/1117875702.db2.gz RKZGQXATOQBUIL-SNVBAGLBSA-N 0 1 298.224 3.608 20 0 CHADMN CC(C)Cc1ccccc1CNCc1ccnn1CC1CC1 ZINC000623587563 1117876301 /nfs/dbraw/zinc/87/63/01/1117876301.db2.gz XBUXJQVIIXNOFJ-UHFFFAOYSA-N 0 1 297.446 3.781 20 0 CHADMN CCCOc1ccc(CNCc2ccns2)c(C)c1 ZINC000623598175 1117877806 /nfs/dbraw/zinc/87/78/06/1117877806.db2.gz SNJPHJZSNMFODN-UHFFFAOYSA-N 0 1 276.405 3.530 20 0 CHADMN C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1cc(Cl)ccc1[O-] ZINC000185724507 1117878523 /nfs/dbraw/zinc/87/85/23/1117878523.db2.gz XBJWVCIDAKMKTJ-YGRLFVJLSA-N 0 1 285.840 3.982 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1cc(Cl)cc2cccnc21 ZINC000339569598 1117884666 /nfs/dbraw/zinc/88/46/66/1117884666.db2.gz RUMWJQQAPXVXLP-WDEREUQCSA-N 0 1 260.768 3.728 20 0 CHADMN CC1(C)CCC(CNCc2ncn(-c3ccccc3)n2)CC1 ZINC000339584619 1117888776 /nfs/dbraw/zinc/88/87/76/1117888776.db2.gz ZAYWEJBWSHOEFB-UHFFFAOYSA-N 0 1 298.434 3.573 20 0 CHADMN Fc1cc(-c2ccncc2)ccc1CN[C@@H]1CCC[C@H]1F ZINC000339587757 1117892154 /nfs/dbraw/zinc/89/21/54/1117892154.db2.gz TUUCLCGFLXKYBC-NVXWUHKLSA-N 0 1 288.341 3.868 20 0 CHADMN F[C@@H]1CCC[C@@H]1NCc1cnc(C2CCCC2)s1 ZINC000339589686 1117893948 /nfs/dbraw/zinc/89/39/48/1117893948.db2.gz IPIAINVFVVDEGH-OLZOCXBDSA-N 0 1 268.401 3.781 20 0 CHADMN Cc1ncccc1CNCc1cc(F)cc(C(F)(F)F)c1 ZINC000623702867 1117896818 /nfs/dbraw/zinc/89/68/18/1117896818.db2.gz MOZPAQAROPSODA-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN CC(C)(CC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1)C1CC1 ZINC000615281928 1128742714 /nfs/dbraw/zinc/74/27/14/1128742714.db2.gz XSKUWAMEPBUHFH-UHFFFAOYSA-N 0 1 299.374 3.547 20 0 CHADMN CCc1nocc1C[N@@H+](C)CCc1c(F)cccc1Cl ZINC000339601007 1117903921 /nfs/dbraw/zinc/90/39/21/1117903921.db2.gz MWAYNRZGYYSXTF-UHFFFAOYSA-N 0 1 296.773 3.704 20 0 CHADMN CCc1nocc1CN(C)CCc1c(F)cccc1Cl ZINC000339601007 1117903924 /nfs/dbraw/zinc/90/39/24/1117903924.db2.gz MWAYNRZGYYSXTF-UHFFFAOYSA-N 0 1 296.773 3.704 20 0 CHADMN O=C(c1cccc(C(F)(F)F)c1O)N1CCC12CCCC2 ZINC000655161891 1117905714 /nfs/dbraw/zinc/90/57/14/1117905714.db2.gz FEGWIMDCWXJIHK-UHFFFAOYSA-N 0 1 299.292 3.570 20 0 CHADMN C[C@H]1CC[C@@H](CC(=O)Nc2c(=O)[nH][nH]c2-c2ccccc2)C1 ZINC000615283539 1128743480 /nfs/dbraw/zinc/74/34/80/1128743480.db2.gz YEEMEXSUYYSXBC-NWDGAFQWSA-N 0 1 299.374 3.547 20 0 CHADMN CC[C@@H](NCc1cc2n(n1)CCC2)c1cc(C)ccc1C ZINC000623752682 1117918558 /nfs/dbraw/zinc/91/85/58/1117918558.db2.gz JISQLJBWUXVLKN-GOSISDBHSA-N 0 1 283.419 3.687 20 0 CHADMN Clc1scc(CN[C@H]2CO[C@@H](C3CC3)C2)c1Cl ZINC000623753739 1117919474 /nfs/dbraw/zinc/91/94/74/1117919474.db2.gz DCGOKFJQEBZEKC-NXEZZACHSA-N 0 1 292.231 3.712 20 0 CHADMN COc1ccc(OCCC[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000471172783 1117919930 /nfs/dbraw/zinc/91/99/30/1117919930.db2.gz MRLGDAWICRWQEL-IBGZPJMESA-N 0 1 297.398 3.911 20 0 CHADMN C[C@@H]1CC=C(c2nc(-c3ccn4cncc4c3)no2)CC1 ZINC000351115825 1117926685 /nfs/dbraw/zinc/92/66/85/1117926685.db2.gz NKHRFPZXYBQQKF-LLVKDONJSA-N 0 1 280.331 3.588 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)C(F)(F)CC2)ncc1Cl ZINC001238427834 1117931646 /nfs/dbraw/zinc/93/16/46/1117931646.db2.gz SGPXYRNPCZDRDB-LLVKDONJSA-N 0 1 288.769 3.911 20 0 CHADMN COc1ccc(C)cc1CN1CC[C@H]1c1ccccc1 ZINC000471183300 1117931987 /nfs/dbraw/zinc/93/19/87/1117931987.db2.gz RDUCWMDFNKMYGV-KRWDZBQOSA-N 0 1 267.372 3.951 20 0 CHADMN Cc1cccc(CN2CCC[C@@H](C(F)F)C2)c1F ZINC001137677484 1117934924 /nfs/dbraw/zinc/93/49/24/1117934924.db2.gz UMHDBHCONVSSGD-GFCCVEGCSA-N 0 1 257.299 3.611 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1ncccc1Br ZINC000692970087 1117935577 /nfs/dbraw/zinc/93/55/77/1117935577.db2.gz CPGAEUBIGKXERH-YOGCLGLASA-N 0 1 295.224 3.607 20 0 CHADMN COc1ccccc1[C@@H](N[C@H]1CCCOC1)c1ccccc1 ZINC000180694933 1117938393 /nfs/dbraw/zinc/93/83/93/1117938393.db2.gz TWPAAZJKWZLFMD-LPHOPBHVSA-N 0 1 297.398 3.553 20 0 CHADMN CCc1ccc(NC(=O)[C@H]2CCCc3[nH]ncc32)cc1CC ZINC000180764938 1117939538 /nfs/dbraw/zinc/93/95/38/1117939538.db2.gz ICUWOXYNCNUWII-HNNXBMFYSA-N 0 1 297.402 3.593 20 0 CHADMN CCN(C[C@H](C)O)[C@H](C)c1cc(Cl)ccc1Cl ZINC000510125208 1117939771 /nfs/dbraw/zinc/93/97/71/1117939771.db2.gz WPUANGXYNTYPBJ-VHSXEESVSA-N 0 1 276.207 3.757 20 0 CHADMN CC1=CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000339627183 1117940968 /nfs/dbraw/zinc/94/09/68/1117940968.db2.gz HUMPQNRDBUGOEQ-UHFFFAOYSA-N 0 1 294.398 3.813 20 0 CHADMN CCc1nocc1CNCc1ccccc1CC(F)(F)F ZINC000623821417 1117941061 /nfs/dbraw/zinc/94/10/61/1117941061.db2.gz RRVHKYIEKLSCAM-UHFFFAOYSA-N 0 1 298.308 3.632 20 0 CHADMN Cc1ccc(CNCc2ccccc2CC(F)(F)F)nc1 ZINC000623821472 1117941112 /nfs/dbraw/zinc/94/11/12/1117941112.db2.gz TZGFMZMLXRFCDC-UHFFFAOYSA-N 0 1 294.320 3.785 20 0 CHADMN CC[C@H]1C[C@H](NC2(c3c(F)cccc3F)CCC2)CO1 ZINC000623844354 1117944767 /nfs/dbraw/zinc/94/47/67/1117944767.db2.gz RZISTQPHNQPOFI-RYUDHWBXSA-N 0 1 281.346 3.501 20 0 CHADMN Cc1csc([C@@H](C)N[C@@H](C)COc2cccc(F)c2)n1 ZINC000623870337 1117948655 /nfs/dbraw/zinc/94/86/55/1117948655.db2.gz WUWXLLKUHUODRP-CMPLNLGQSA-N 0 1 294.395 3.709 20 0 CHADMN Cc1csc([C@@H](C)N[C@H](C)COc2cccc(C)c2)n1 ZINC000623870555 1117948663 /nfs/dbraw/zinc/94/86/63/1117948663.db2.gz DZSHFQZFVZFELN-TZMCWYRMSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1csc([C@H](C)NC[C@@H](C)Oc2cccc(C)c2)n1 ZINC000623899165 1117951234 /nfs/dbraw/zinc/95/12/34/1117951234.db2.gz AABKAPDDJREWJR-KGLIPLIRSA-N 0 1 290.432 3.878 20 0 CHADMN c1sc(C2CC2)nc1CN1CC[C@H](CC2CC2)C1 ZINC000339677824 1117952300 /nfs/dbraw/zinc/95/23/00/1117952300.db2.gz KVDPMXWOQYRDDP-GFCCVEGCSA-N 0 1 262.422 3.643 20 0 CHADMN Cc1csc([C@@H](C)NC[C@H](C)Oc2ccccc2)n1 ZINC000623915030 1117953701 /nfs/dbraw/zinc/95/37/01/1117953701.db2.gz RVPAQBKDAHGPMY-QWHCGFSZSA-N 0 1 276.405 3.570 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@H](C)N2CC(C)=C[C@@H](C)C2)c1 ZINC000430261959 1117954175 /nfs/dbraw/zinc/95/41/75/1117954175.db2.gz KSGLITHPBFGQPZ-CJNGLKHVSA-N 0 1 286.419 3.528 20 0 CHADMN CC[C@H](N[C@H](C)c1ccncc1)c1ccccc1OC ZINC000036995129 1117955296 /nfs/dbraw/zinc/95/52/96/1117955296.db2.gz NAECYUVITYQKEY-CJNGLKHVSA-N 0 1 270.376 3.892 20 0 CHADMN CC(C)[C@@H]([NH2+]Cc1cccc([O-])c1Cl)C1CC1 ZINC000324262955 1117957581 /nfs/dbraw/zinc/95/75/81/1117957581.db2.gz LZEQGDAYJROMKQ-CQSZACIVSA-N 0 1 253.773 3.570 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1cnc(N)s1 ZINC000094193112 1128746574 /nfs/dbraw/zinc/74/65/74/1128746574.db2.gz RBVNZQOMNFNBJR-VIFPVBQESA-N 0 1 281.812 3.572 20 0 CHADMN CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000339706454 1117960522 /nfs/dbraw/zinc/96/05/22/1117960522.db2.gz NJAVFAPTHUEHOL-INIZCTEOSA-N 0 1 299.817 3.710 20 0 CHADMN CC(C)[C@@]1(CO)CCCN(Cc2cc(F)ccc2Cl)C1 ZINC000339706454 1117960526 /nfs/dbraw/zinc/96/05/26/1117960526.db2.gz NJAVFAPTHUEHOL-INIZCTEOSA-N 0 1 299.817 3.710 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1nc(C)cs1 ZINC000623960569 1117962522 /nfs/dbraw/zinc/96/25/22/1117962522.db2.gz AMBKQQXASDPNHY-IUCAKERBSA-N 0 1 266.332 3.833 20 0 CHADMN Cc1ccc(OC(F)F)c(CN2CCC23CCC3)c1 ZINC000579385721 1128746793 /nfs/dbraw/zinc/74/67/93/1128746793.db2.gz LFIZLOFOMQIJBL-UHFFFAOYSA-N 0 1 267.319 3.725 20 0 CHADMN CO[C@H](CN[C@@H]1CCCc2scnc21)C1CCCCC1 ZINC000624016503 1117971592 /nfs/dbraw/zinc/97/15/92/1117971592.db2.gz YNKLVXDPUKGEDY-ZIAGYGMSSA-N 0 1 294.464 3.705 20 0 CHADMN CC(C)Cc1ccccc1CN[C@@H]1CCCn2ccnc21 ZINC000624030336 1117972452 /nfs/dbraw/zinc/97/24/52/1117972452.db2.gz SWWKYDGATIQCOX-QGZVFWFLSA-N 0 1 283.419 3.706 20 0 CHADMN CSc1ccccc1CN1CCOC[C@H]1CC1CCC1 ZINC000339775055 1117975858 /nfs/dbraw/zinc/97/58/58/1117975858.db2.gz IKPBDQMWLKNKEN-MRXNPFEDSA-N 0 1 291.460 3.800 20 0 CHADMN Cc1ccc([C@@H](C)NCc2c(C(F)(F)F)cnn2C)cc1 ZINC000624051668 1117976207 /nfs/dbraw/zinc/97/62/07/1117976207.db2.gz JRMMILMHZFELHV-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN Cc1nccnc1CN[C@H](CC(C)C)c1ccccc1 ZINC000621326660 1117977395 /nfs/dbraw/zinc/97/73/95/1117977395.db2.gz PVNQSWQWCDJZKJ-MRXNPFEDSA-N 0 1 269.392 3.662 20 0 CHADMN c1cc([C@H]2CCCC[N@@H+]2CCCc2ccccc2)n[nH]1 ZINC000510143080 1117983174 /nfs/dbraw/zinc/98/31/74/1117983174.db2.gz JNXBNTVRDLHXLI-QGZVFWFLSA-N 0 1 269.392 3.570 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@H+]([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000232764568 1117988749 /nfs/dbraw/zinc/98/87/49/1117988749.db2.gz SJIZJNPZJQUNEX-LRDDRELGSA-N 0 1 295.810 3.834 20 0 CHADMN CC1=C[C@H](C)CN([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000430279951 1117989161 /nfs/dbraw/zinc/98/91/61/1117989161.db2.gz NYVZYVHDPLVHRV-AAEUAGOBSA-N 0 1 292.810 3.565 20 0 CHADMN CC1=C[C@@H](C)C[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000430283737 1117992048 /nfs/dbraw/zinc/99/20/48/1117992048.db2.gz JCODSBAKBDWUPO-GFCCVEGCSA-N 0 1 286.350 3.879 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2ncc(-c3ccccc3F)o2)C1 ZINC000430283737 1117992053 /nfs/dbraw/zinc/99/20/53/1117992053.db2.gz JCODSBAKBDWUPO-GFCCVEGCSA-N 0 1 286.350 3.879 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2CC(C)=C[C@H](C)C2)c(C)c1 ZINC000430283655 1117993053 /nfs/dbraw/zinc/99/30/53/1117993053.db2.gz IMSHHAAKBXWPAL-BBRMVZONSA-N 0 1 286.419 3.528 20 0 CHADMN CCc1nnc(CNCC2(C)CCCCCC2)s1 ZINC000353132566 1117993303 /nfs/dbraw/zinc/99/33/03/1117993303.db2.gz VYRYZBOVPDXWNP-UHFFFAOYSA-N 0 1 267.442 3.551 20 0 CHADMN CCSC[C@@H](C)NCc1c(F)ccc(F)c1Cl ZINC000705547035 1117997279 /nfs/dbraw/zinc/99/72/79/1117997279.db2.gz QLMUBAOBEYZYNG-MRVPVSSYSA-N 0 1 279.783 3.849 20 0 CHADMN Clc1ccccc1CCCN1CCO[C@H]2CCC[C@H]21 ZINC000430293145 1118003006 /nfs/dbraw/zinc/00/30/06/1118003006.db2.gz YYPQOPFLVHTYPK-CVEARBPZSA-N 0 1 279.811 3.526 20 0 CHADMN CC(=O)OC(C)(C)CCCN(C)Cc1ccc(F)cc1F ZINC001209156715 1118004171 /nfs/dbraw/zinc/00/41/71/1118004171.db2.gz XELKAUBZYRSUGO-UHFFFAOYSA-N 0 1 299.361 3.519 20 0 CHADMN Cc1oncc1CN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000181752453 1118005649 /nfs/dbraw/zinc/00/56/49/1118005649.db2.gz XQWXKDNPVYTXJE-HNNXBMFYSA-N 0 1 276.355 3.999 20 0 CHADMN Cc1ccc(CCCSc2nc(C3CC3)n[nH]2)cc1 ZINC000181972031 1118010345 /nfs/dbraw/zinc/01/03/45/1118010345.db2.gz IXBKDWBQQRLNHO-UHFFFAOYSA-N 0 1 273.405 3.715 20 0 CHADMN Cc1ccc(CCCSc2n[nH]c(C3CC3)n2)cc1 ZINC000181972031 1118010350 /nfs/dbraw/zinc/01/03/50/1118010350.db2.gz IXBKDWBQQRLNHO-UHFFFAOYSA-N 0 1 273.405 3.715 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)c1cc(C)cc(C)n1 ZINC001167105091 1118018363 /nfs/dbraw/zinc/01/83/63/1118018363.db2.gz DEVVWWGFJIATSN-CQSZACIVSA-N 0 1 270.376 3.904 20 0 CHADMN CN(Cc1ncc(Cl)cc1Cl)CC1CCC1 ZINC000182271799 1118018428 /nfs/dbraw/zinc/01/84/28/1118018428.db2.gz DZBPLFDPMQIQQG-UHFFFAOYSA-N 0 1 259.180 3.620 20 0 CHADMN Cc1cc(F)ccc1CN(C)[C@@H](C)c1ccccn1 ZINC000182288202 1118019054 /nfs/dbraw/zinc/01/90/54/1118019054.db2.gz VKKAQRVWWKRYGS-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN O=C1[C@H]2CCCCCCC2=NN1c1nc2ccccc2o1 ZINC000634586917 1118021341 /nfs/dbraw/zinc/02/13/41/1118021341.db2.gz ZWFGMCSHVJRFNO-NSHDSACASA-N 0 1 283.331 3.501 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2cc(C)ccn2)cc1 ZINC000328077563 1118025187 /nfs/dbraw/zinc/02/51/87/1118025187.db2.gz FZEXFXSSFYURDE-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN CC(C)OCCN[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184460116 1118055137 /nfs/dbraw/zinc/05/51/37/1118055137.db2.gz QVCATJSZNFTTHS-LLVKDONJSA-N 0 1 270.442 3.516 20 0 CHADMN CCC(CC)N(CC)c1cc(Cl)nc2[nH]cnc21 ZINC001167111652 1118025769 /nfs/dbraw/zinc/02/57/69/1118025769.db2.gz UTVXUGDAYYRPFQ-UHFFFAOYSA-N 0 1 266.776 3.626 20 0 CHADMN CC[C@H](NCc1ccc2ccccc2c1)c1nccn1C ZINC000182627267 1118027098 /nfs/dbraw/zinc/02/70/98/1118027098.db2.gz UOSHDBGMEQPVTI-KRWDZBQOSA-N 0 1 279.387 3.814 20 0 CHADMN C[C@@H]1CCC[C@H]1CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000579508671 1128750748 /nfs/dbraw/zinc/75/07/48/1128750748.db2.gz AKXLUNMTLDLIPD-BDAKNGLRSA-N 0 1 285.746 3.950 20 0 CHADMN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1cscn1 ZINC000579509294 1128750789 /nfs/dbraw/zinc/75/07/89/1128750789.db2.gz FCDDFKJKJSNCNQ-RYUDHWBXSA-N 0 1 252.427 3.790 20 0 CHADMN CN(CCC1CC1)Cc1cc(F)ccc1Br ZINC000533539364 1118030060 /nfs/dbraw/zinc/03/00/60/1118030060.db2.gz SIQHVIJLCJILPU-UHFFFAOYSA-N 0 1 286.188 3.820 20 0 CHADMN C[C@H]1C[C@H](NCc2ccc[nH]c2=O)c2ccsc2S1 ZINC000624258838 1118032661 /nfs/dbraw/zinc/03/26/61/1118032661.db2.gz VLXQFIUJOJIXKD-CABZTGNLSA-N 0 1 292.429 3.564 20 0 CHADMN CC(C)c1cnc(CN2C[C@@H](C)C[C@H](C)C2)s1 ZINC000182938643 1118033214 /nfs/dbraw/zinc/03/32/14/1118033214.db2.gz ZDYWNZSRLQENAB-RYUDHWBXSA-N 0 1 252.427 3.744 20 0 CHADMN Cc1cccc(CNCc2ccc(OC(F)(F)F)cc2)n1 ZINC000048329849 1118040322 /nfs/dbraw/zinc/04/03/22/1118040322.db2.gz CNYVCMCRZJQOBA-UHFFFAOYSA-N 0 1 296.292 3.578 20 0 CHADMN C[C@H]1C[C@@H]1C[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC001209420530 1118044518 /nfs/dbraw/zinc/04/45/18/1118044518.db2.gz JOFXTOMFKZJQIH-CMPLNLGQSA-N 0 1 269.310 3.720 20 0 CHADMN C[C@H]1C[C@@H]1CN1CCc2ccc(C(F)(F)F)cc2C1 ZINC001209420530 1118044523 /nfs/dbraw/zinc/04/45/23/1118044523.db2.gz JOFXTOMFKZJQIH-CMPLNLGQSA-N 0 1 269.310 3.720 20 0 CHADMN Cc1cc(CN(C)Cc2cccnc2)ccc1Cl ZINC000183656550 1118047188 /nfs/dbraw/zinc/04/71/88/1118047188.db2.gz XYNWCSUGWSSGPH-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Oc1ccc(F)c(CN2CC[C@H](c3ccccc3F)C2)c1 ZINC001140048599 1118052122 /nfs/dbraw/zinc/05/21/22/1118052122.db2.gz LWSOJAKALMXONY-LBPRGKRZSA-N 0 1 289.325 3.660 20 0 CHADMN CN(Cc1ccsc1)CC1=Cc2ccccc2OC1 ZINC000120473914 1118052615 /nfs/dbraw/zinc/05/26/15/1118052615.db2.gz BQRJVZDXNDMAAF-UHFFFAOYSA-N 0 1 271.385 3.656 20 0 CHADMN CCSCCN[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184495621 1118054521 /nfs/dbraw/zinc/05/45/21/1118054521.db2.gz MGVPNQMWEXSDCT-JTQLQIEISA-N 0 1 272.483 3.844 20 0 CHADMN Cc1cc(CNCc2ccc(F)cc2F)ccc1F ZINC000049943370 1118056142 /nfs/dbraw/zinc/05/61/42/1118056142.db2.gz PZYAJLFZBSSADS-UHFFFAOYSA-N 0 1 265.278 3.702 20 0 CHADMN CCc1cccc(C)c1NC(=O)[C@@H](C)N1CCCCCC1 ZINC000025407704 1118056187 /nfs/dbraw/zinc/05/61/87/1118056187.db2.gz FUYWJBPNOWBLKG-OAHLLOKOSA-N 0 1 288.435 3.760 20 0 CHADMN CCc1nc([C@H](C)NCCOc2cccc(C)c2)cs1 ZINC000184725702 1118057088 /nfs/dbraw/zinc/05/70/88/1118057088.db2.gz XEDVSQCRUMVPFS-ZDUSSCGKSA-N 0 1 290.432 3.744 20 0 CHADMN CCCCN(Cc1nc(-c2ccsc2)no1)C1CC1 ZINC000046092964 1118057706 /nfs/dbraw/zinc/05/77/06/1118057706.db2.gz YKSCEDPNVGFYCX-UHFFFAOYSA-N 0 1 277.393 3.563 20 0 CHADMN CCOc1cccc(CN2CCOC3(CCCCC3)C2)c1 ZINC000579623947 1128753117 /nfs/dbraw/zinc/75/31/17/1128753117.db2.gz GAHIFFFYJHTKAM-UHFFFAOYSA-N 0 1 289.419 3.620 20 0 CHADMN CCCCCN[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000185219323 1118060619 /nfs/dbraw/zinc/06/06/19/1118060619.db2.gz XBGNHDNPKZHINF-LBPRGKRZSA-N 0 1 265.401 3.958 20 0 CHADMN C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccccc2F)C1 ZINC000185716692 1118063389 /nfs/dbraw/zinc/06/33/89/1118063389.db2.gz JXMKDDYLKVJEDS-GUYCJALGSA-N 0 1 270.351 3.804 20 0 CHADMN Fc1ccc(CN[C@H](c2cccnc2)C2CC2)cc1F ZINC000340108044 1118067375 /nfs/dbraw/zinc/06/73/75/1118067375.db2.gz HGARSWBLXZSSRJ-INIZCTEOSA-N 0 1 274.314 3.601 20 0 CHADMN CCN(CC(=O)c1c[nH]c2ccccc12)CC(C)(C)C ZINC000380453783 1118071178 /nfs/dbraw/zinc/07/11/78/1118071178.db2.gz NWNGYYRASDLHLP-UHFFFAOYSA-N 0 1 272.392 3.719 20 0 CHADMN CCCC[C@H](C)N(CCCC)C(=O)NCc1cc(C)[nH]n1 ZINC000655572763 1118074334 /nfs/dbraw/zinc/07/43/34/1118074334.db2.gz PPNRELAYKKWWCB-AWEZNQCLSA-N 0 1 294.443 3.609 20 0 CHADMN Brc1ccc(CN2CCCCCCC2)nc1 ZINC000134531760 1118079229 /nfs/dbraw/zinc/07/92/29/1118079229.db2.gz VXLRTXWXSUDRPZ-UHFFFAOYSA-N 0 1 283.213 3.610 20 0 CHADMN COCCN(Cc1c(C)cc(F)cc1Cl)C(C)C ZINC001238785266 1118083522 /nfs/dbraw/zinc/08/35/22/1118083522.db2.gz OJSMEOLXTGDCCG-UHFFFAOYSA-N 0 1 273.779 3.644 20 0 CHADMN CC[C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)N(C)C ZINC000764387052 1118088410 /nfs/dbraw/zinc/08/84/10/1118088410.db2.gz NJWAKHHYTCMDBV-QGZVFWFLSA-N 0 1 297.402 3.709 20 0 CHADMN OCC[C@H](NCc1cc(Cl)cs1)c1ccccc1F ZINC000842762877 1118094166 /nfs/dbraw/zinc/09/41/66/1118094166.db2.gz VFMWTJYZDJORNG-AWEZNQCLSA-N 0 1 299.798 3.754 20 0 CHADMN Cc1oc(C[N@@H+](Cc2cccs2)C(C)C)cc1C(=O)[O-] ZINC000049029903 1118095840 /nfs/dbraw/zinc/09/58/40/1118095840.db2.gz LFZFCFJLWWRSND-UHFFFAOYSA-N 0 1 293.388 3.758 20 0 CHADMN C[C@@H](NCc1cccnc1N(C)C)c1cccc(C2CC2)c1 ZINC000340176156 1118099628 /nfs/dbraw/zinc/09/96/28/1118099628.db2.gz ARYWLDFZXDMINK-CQSZACIVSA-N 0 1 295.430 3.876 20 0 CHADMN Fc1cc(CN2CC[C@@H](CC3CC3)C2)cc(F)c1F ZINC000552138234 1118100941 /nfs/dbraw/zinc/10/09/41/1118100941.db2.gz JSKCVDFTCAVPGS-NSHDSACASA-N 0 1 269.310 3.726 20 0 CHADMN CC1(C)CCCC[C@H]1NCc1noc(-c2ccsc2)n1 ZINC000119801139 1118104653 /nfs/dbraw/zinc/10/46/53/1118104653.db2.gz XWYXQKARRHSLIB-GFCCVEGCSA-N 0 1 291.420 3.857 20 0 CHADMN Cc1cccc(CC[C@@H](C)N[C@H](C)c2csnn2)c1 ZINC000398245270 1118105572 /nfs/dbraw/zinc/10/55/72/1118105572.db2.gz RSQYSHVZWADRAO-CHWSQXEVSA-N 0 1 275.421 3.518 20 0 CHADMN Cc1cnn(-c2ccncc2NCc2cc(C)cc(C)c2)c1 ZINC000340194258 1118107206 /nfs/dbraw/zinc/10/72/06/1118107206.db2.gz LWPLZRCYBTUPJN-UHFFFAOYSA-N 0 1 292.386 3.805 20 0 CHADMN CSc1ccc(OCCOc2cc(C)nc(C)c2)cc1 ZINC000547814585 1118108509 /nfs/dbraw/zinc/10/85/09/1118108509.db2.gz VRMZHSTWLNSGIB-UHFFFAOYSA-N 0 1 289.400 3.878 20 0 CHADMN C[C@@H](N[C@H]1CCc2c1cc(F)cc2F)c1cccnc1 ZINC000120957009 1118108779 /nfs/dbraw/zinc/10/87/79/1118108779.db2.gz TZYUOKIBNGUEQU-HWPZZCPQSA-N 0 1 274.314 3.698 20 0 CHADMN CCN(C#N)CCN(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001167234154 1118110337 /nfs/dbraw/zinc/11/03/37/1118110337.db2.gz VJVNDFZFXKLRPX-LBPRGKRZSA-N 0 1 299.340 3.501 20 0 CHADMN CC[C@H](C)[C@H](CNc1ccc2cnccc2c1)OC ZINC000653468899 1118114729 /nfs/dbraw/zinc/11/47/29/1118114729.db2.gz JTEGJJAGKUPUNI-LRDDRELGSA-N 0 1 258.365 3.708 20 0 CHADMN Cc1ccncc1CN1Cc2ccccc2C(C)(C)C1 ZINC000340237190 1118118697 /nfs/dbraw/zinc/11/86/97/1118118697.db2.gz MLKMBEYAXCLDBJ-UHFFFAOYSA-N 0 1 266.388 3.683 20 0 CHADMN C[C@H]1CCCCN(Cc2cc(C(F)(F)F)ccn2)C1 ZINC001140104029 1118119173 /nfs/dbraw/zinc/11/91/73/1118119173.db2.gz AAOZTSHPBRCXHQ-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN CC(C)[N@@H+](CCc1ccns1)Cc1ccccc1F ZINC001167247814 1118119183 /nfs/dbraw/zinc/11/91/83/1118119183.db2.gz FCCSXZDFEGQWAM-UHFFFAOYSA-N 0 1 278.396 3.735 20 0 CHADMN Cc1cc(N)ncc1Nc1ncccc1Oc1ccccc1 ZINC001209960793 1118119735 /nfs/dbraw/zinc/11/97/35/1118119735.db2.gz ANSPZZOBMUGFRP-UHFFFAOYSA-N 0 1 292.342 3.903 20 0 CHADMN Cc1nsc(C)c1CN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000653610379 1118119773 /nfs/dbraw/zinc/11/97/73/1118119773.db2.gz FLFOJLGBPHYPDQ-LDYMZIIASA-N 0 1 292.370 3.923 20 0 CHADMN C[C@H](NCc1nccn1C)c1ccc(F)c2ccccc21 ZINC000340238318 1118119959 /nfs/dbraw/zinc/11/99/59/1118119959.db2.gz DXDBIKJKHOSISS-LBPRGKRZSA-N 0 1 283.350 3.563 20 0 CHADMN CCn1nc(-c2ccccc2)cc1Nc1cnc(N)cc1C ZINC001209967524 1118121952 /nfs/dbraw/zinc/12/19/52/1118121952.db2.gz PVSWXLNSKSNVQV-UHFFFAOYSA-N 0 1 293.374 3.599 20 0 CHADMN CCCN(CC(C)C)[C@H](C(=O)OC)c1ccccc1C ZINC001167255673 1118122678 /nfs/dbraw/zinc/12/26/78/1118122678.db2.gz LEHPQPSUTIEJDF-INIZCTEOSA-N 0 1 277.408 3.577 20 0 CHADMN O=C([O-])CCC[N@H+](Cc1ccccc1)C[C@H]1CC=CCC1 ZINC000901802534 1118126087 /nfs/dbraw/zinc/12/60/87/1118126087.db2.gz LPYUYAAYBPRPDW-KRWDZBQOSA-N 0 1 287.403 3.710 20 0 CHADMN CC[C@@H](NCc1nc(C(C)(C)C)cs1)[C@@H]1CCCCO1 ZINC000653876909 1118126366 /nfs/dbraw/zinc/12/63/66/1118126366.db2.gz JMAIQIBZBUBGQM-OLZOCXBDSA-N 0 1 296.480 3.878 20 0 CHADMN Cc1ncc(CN(C)[C@H]2C=CCCCCC2)s1 ZINC000340278287 1118130479 /nfs/dbraw/zinc/13/04/79/1118130479.db2.gz FBZNXGVTDRJPHH-ZDUSSCGKSA-N 0 1 250.411 3.772 20 0 CHADMN CC[C@@](C)(NC[C@@H]1CCCC[N@H+]1C(C)C)c1nccs1 ZINC000340287625 1118132593 /nfs/dbraw/zinc/13/25/93/1118132593.db2.gz WCUWRBKSAFLCQF-GOEBONIOSA-N 0 1 295.496 3.621 20 0 CHADMN CCC[C@@H](C(=O)Nc1ccc(CN(C)C)c(F)c1)C(C)C ZINC000765131177 1118136210 /nfs/dbraw/zinc/13/62/10/1118136210.db2.gz HXEMBBRIWPLDLG-OAHLLOKOSA-N 0 1 294.414 3.898 20 0 CHADMN CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1nc(C(C)(C)C)cs1 ZINC000120914388 1118146085 /nfs/dbraw/zinc/14/60/85/1118146085.db2.gz PTDOMCAYJXKFPA-STQMWFEESA-N 0 1 296.480 3.566 20 0 CHADMN CC[C@H](O)[C@@H]1CCCCN1Cc1nc(C(C)(C)C)cs1 ZINC000120914388 1118146090 /nfs/dbraw/zinc/14/60/90/1118146090.db2.gz PTDOMCAYJXKFPA-STQMWFEESA-N 0 1 296.480 3.566 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(F)nc2)CC1 ZINC000779158345 1128758781 /nfs/dbraw/zinc/75/87/81/1128758781.db2.gz OKBZDBOVPSHOAP-AWEZNQCLSA-N 0 1 264.388 3.869 20 0 CHADMN C[C@H](CCc1ccco1)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000237533018 1118151188 /nfs/dbraw/zinc/15/11/88/1118151188.db2.gz ZJNCQZNTXFXMLO-VXGBXAGGSA-N 0 1 291.395 3.632 20 0 CHADMN CC(=O)N(C)c1ccc(Nc2cc3cn[nH]c3cc2C)cc1 ZINC001210102469 1118152983 /nfs/dbraw/zinc/15/29/83/1118152983.db2.gz OCOGKZIAMOQSGM-UHFFFAOYSA-N 0 1 294.358 3.598 20 0 CHADMN C[C@H](COc1ccccc1)N[C@@H](C)c1cccnc1Cl ZINC000765442319 1118153252 /nfs/dbraw/zinc/15/32/52/1118153252.db2.gz ZJXKMIPDKQKOIC-OLZOCXBDSA-N 0 1 290.794 3.853 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC(n2ccnc2)CC1 ZINC000171933132 1118160221 /nfs/dbraw/zinc/16/02/21/1118160221.db2.gz MIJYENPELJETIO-LBPRGKRZSA-N 0 1 291.345 3.559 20 0 CHADMN COc1cccc(OC)c1CN[C@H](C)c1ccccc1 ZINC000225965082 1118166822 /nfs/dbraw/zinc/16/68/22/1118166822.db2.gz XLUQKWFXLPIBBJ-CYBMUJFWSA-N 0 1 271.360 3.555 20 0 CHADMN CSc1cccc(NC(=O)CN2[C@H](C)CCC[C@@H]2C)c1 ZINC000015467110 1118166823 /nfs/dbraw/zinc/16/68/23/1118166823.db2.gz MWVCKORTAYOIIM-BETUJISGSA-N 0 1 292.448 3.610 20 0 CHADMN CN(Cc1cn[nH]c1)Cc1ccc(-c2cccs2)cc1 ZINC000683521959 1118169050 /nfs/dbraw/zinc/16/90/50/1118169050.db2.gz ORBYPCPWFYAVCL-UHFFFAOYSA-N 0 1 283.400 3.770 20 0 CHADMN Fc1ccccc1-c1nc(C[N@H+]2CC[C@@H](C3CC3)C2)co1 ZINC000625278717 1118172414 /nfs/dbraw/zinc/17/24/14/1118172414.db2.gz VYLCUGMJODUMIO-CYBMUJFWSA-N 0 1 286.350 3.713 20 0 CHADMN C[C@H](N[C@H]1CCCn2ccnc21)c1ccc2c(c1)CCCC2 ZINC000655682829 1118183670 /nfs/dbraw/zinc/18/36/70/1118183670.db2.gz LFXUVJBZHLJAOP-KSSFIOAISA-N 0 1 295.430 3.948 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@H](C)c2cncnc2C)cc1 ZINC000655695561 1118186269 /nfs/dbraw/zinc/18/62/69/1118186269.db2.gz MVRRMKMLEIEWEA-TZMCWYRMSA-N 0 1 285.391 3.596 20 0 CHADMN COc1ccc([C@H](N[C@H]2CCCn3ccnc32)C(C)C)cc1 ZINC000655696417 1118187144 /nfs/dbraw/zinc/18/71/44/1118187144.db2.gz OXKRZBDXBLDAPR-DLBZAZTESA-N 0 1 299.418 3.714 20 0 CHADMN Cc1ncncc1[C@H](C)NCc1ccccc1C(F)(F)F ZINC000655703524 1118189183 /nfs/dbraw/zinc/18/91/83/1118189183.db2.gz IBMNBTZHMOYCIE-JTQLQIEISA-N 0 1 295.308 3.655 20 0 CHADMN Cc1nc(F)ccc1CN[C@H]1CSCc2ccccc21 ZINC000785436582 1118190335 /nfs/dbraw/zinc/19/03/35/1118190335.db2.gz BAZYSLCPFGPTFX-HNNXBMFYSA-N 0 1 288.391 3.607 20 0 CHADMN c1cn2c(n1)[C@@H](N[C@@H](CC1CC1)c1ccccc1)CCC2 ZINC000655744102 1118200036 /nfs/dbraw/zinc/20/00/36/1118200036.db2.gz WQFPEZMFGKXYNN-IRXDYDNUSA-N 0 1 281.403 3.849 20 0 CHADMN Cc1cc2c(c(C)c1)[C@H](NCc1ncccc1N(C)C)CC2 ZINC000655768211 1118204621 /nfs/dbraw/zinc/20/46/21/1118204621.db2.gz RYISAKLXVUNRJC-MRXNPFEDSA-N 0 1 295.430 3.542 20 0 CHADMN Cc1cccc(CNCc2cccc(OC(F)(F)F)c2)n1 ZINC000102780726 1118209161 /nfs/dbraw/zinc/20/91/61/1118209161.db2.gz BSFKRBUPXOIDKV-UHFFFAOYSA-N 0 1 296.292 3.578 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)CCc1cccnc1 ZINC000172155927 1118212871 /nfs/dbraw/zinc/21/28/71/1118212871.db2.gz FZSSXAQTFITUID-LBPRGKRZSA-N 0 1 276.330 3.595 20 0 CHADMN C[C@H](c1nc2ccccc2s1)N(C)CCc1cccnc1 ZINC000172152995 1118213287 /nfs/dbraw/zinc/21/32/87/1118213287.db2.gz BUCGTQDRKSGFLE-CYBMUJFWSA-N 0 1 297.427 3.927 20 0 CHADMN CCCC(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615813890 1128765418 /nfs/dbraw/zinc/76/54/18/1128765418.db2.gz OYEYLAZRQJNXLF-SECBINFHSA-N 0 1 279.771 3.536 20 0 CHADMN CC[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000030141647 1118217647 /nfs/dbraw/zinc/21/76/47/1118217647.db2.gz MJRKHGMWUAWBLW-CYBMUJFWSA-N 0 1 294.826 3.709 20 0 CHADMN CC(C)c1cnc(CN[C@@H](C2CC2)[C@H]2CCCCO2)s1 ZINC000655812335 1118219832 /nfs/dbraw/zinc/21/98/32/1118219832.db2.gz PDGVTCWFPUJIDG-CJNGLKHVSA-N 0 1 294.464 3.704 20 0 CHADMN COc1c(C)cccc1CN[C@H]1CCc2c1cccc2F ZINC000655810359 1118220049 /nfs/dbraw/zinc/22/00/49/1118220049.db2.gz JIICKFRRNCYDFZ-KRWDZBQOSA-N 0 1 285.362 3.920 20 0 CHADMN Cc1occc1CNCc1cccc(Br)c1C ZINC000655818702 1118222467 /nfs/dbraw/zinc/22/24/67/1118222467.db2.gz FZHSPBQEFPDVFG-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN C[C@@H]1CCCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000041362695 1118229973 /nfs/dbraw/zinc/22/99/73/1118229973.db2.gz DQPKTLDLODGQLX-CYBMUJFWSA-N 0 1 256.349 3.574 20 0 CHADMN C[C@H]1CCCCN1Cc1ncc(-c2ccccc2)o1 ZINC000041362508 1118230007 /nfs/dbraw/zinc/23/00/07/1118230007.db2.gz JEDLIQNREHVSMC-ZDUSSCGKSA-N 0 1 256.349 3.716 20 0 CHADMN CCC(C)(C)c1ccc(CN2CCc3cn[nH]c3C2)cc1 ZINC000671685152 1118237794 /nfs/dbraw/zinc/23/77/94/1118237794.db2.gz KGSZOEVWXCJGMD-UHFFFAOYSA-N 0 1 283.419 3.656 20 0 CHADMN Cc1ccc(CN[C@@H]2CCSc3ccccc32)o1 ZINC000034996536 1118242741 /nfs/dbraw/zinc/24/27/41/1118242741.db2.gz DBFLGGKFLNGNCR-CQSZACIVSA-N 0 1 259.374 3.915 20 0 CHADMN C[C@H](c1ccccc1F)[N@@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000409445949 1118247000 /nfs/dbraw/zinc/24/70/00/1118247000.db2.gz YPYFYRVQDKUFMF-CHWSQXEVSA-N 0 1 265.372 3.776 20 0 CHADMN C[C@H](c1ccccc1F)N(C)C[C@H]1CCC(C)(C)O1 ZINC000409445949 1118247003 /nfs/dbraw/zinc/24/70/03/1118247003.db2.gz YPYFYRVQDKUFMF-CHWSQXEVSA-N 0 1 265.372 3.776 20 0 CHADMN Cc1cccc2c1OCC[C@H]2NCc1cnn(C2CCC2)c1 ZINC000921635132 1118248244 /nfs/dbraw/zinc/24/82/44/1118248244.db2.gz QXYXVIIXTFKLNM-QGZVFWFLSA-N 0 1 297.402 3.530 20 0 CHADMN CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000186174497 1118250662 /nfs/dbraw/zinc/25/06/62/1118250662.db2.gz SSEBHZSCTIYZRB-IAQYHMDHSA-N 0 1 299.842 3.739 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1Cc1ncc(C(C)(C)C)o1 ZINC000409445188 1118252990 /nfs/dbraw/zinc/25/29/90/1118252990.db2.gz LXXWVIALCUPZCP-VXGBXAGGSA-N 0 1 250.386 3.593 20 0 CHADMN C[C@H]1CC[C@H](C)[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000409445181 1118254316 /nfs/dbraw/zinc/25/43/16/1118254316.db2.gz JYRFMITZKPLJJV-RYUDHWBXSA-N 0 1 250.386 3.593 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2ncc(C(C)(C)C)o2)C1 ZINC000409445181 1118254319 /nfs/dbraw/zinc/25/43/19/1118254319.db2.gz JYRFMITZKPLJJV-RYUDHWBXSA-N 0 1 250.386 3.593 20 0 CHADMN Cc1ccc(C[N@H+]2CCCOC(C)(C)C2)c(Cl)c1 ZINC000683667829 1118270010 /nfs/dbraw/zinc/27/00/10/1118270010.db2.gz KCKMJTDPQWCYCF-UHFFFAOYSA-N 0 1 267.800 3.649 20 0 CHADMN C[C@@H](F)CCN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000340466585 1118272079 /nfs/dbraw/zinc/27/20/79/1118272079.db2.gz ZZSHKJCAKUWIGC-RNFRBKRXSA-N 0 1 270.295 3.561 20 0 CHADMN Cc1noc([C@H](C)N2CCC[C@](C)(c3ccccc3)CC2)n1 ZINC000671703863 1118273272 /nfs/dbraw/zinc/27/32/72/1118273272.db2.gz BQABVCDYYBKXJD-KSSFIOAISA-N 0 1 299.418 3.883 20 0 CHADMN CCN(C/C=C\c1ccc(Cl)cc1)Cc1cnn(C)c1 ZINC000255063664 1118280590 /nfs/dbraw/zinc/28/05/90/1118280590.db2.gz YZKJMNFRCODPDS-PLNGDYQASA-N 0 1 289.810 3.609 20 0 CHADMN CSc1ccc(CN(C)CCC(F)(F)F)cc1 ZINC000057595713 1118281772 /nfs/dbraw/zinc/28/17/72/1118281772.db2.gz BBQAFBHOEJOWTM-UHFFFAOYSA-N 0 1 263.328 3.793 20 0 CHADMN C[C@H](C[N@@H+](C)Cc1ccc(F)cc1C(=O)[O-])C(C)(C)C ZINC000399712379 1118285426 /nfs/dbraw/zinc/28/54/26/1118285426.db2.gz FYDPDKYPKMRISS-LLVKDONJSA-N 0 1 281.371 3.638 20 0 CHADMN CCCCN(CC)C(=O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000058581362 1118289426 /nfs/dbraw/zinc/28/94/26/1118289426.db2.gz PUHVXWOJGXFFLQ-HNNXBMFYSA-N 0 1 294.464 3.534 20 0 CHADMN CCCCN(CC)C(=O)CN1CCC[C@H]1c1ccsc1 ZINC000058581362 1118289430 /nfs/dbraw/zinc/28/94/30/1118289430.db2.gz PUHVXWOJGXFFLQ-HNNXBMFYSA-N 0 1 294.464 3.534 20 0 CHADMN Fc1ccc(/C=C/CN(Cc2cccnc2)C2CC2)cc1 ZINC000349253674 1118292512 /nfs/dbraw/zinc/29/25/12/1118292512.db2.gz WYHCLSRZOYUFAA-DUXPYHPUSA-N 0 1 282.362 3.899 20 0 CHADMN Cc1cc(C)cc(CSc2nc(-c3cccnc3)n[nH]2)c1 ZINC000060530955 1118299367 /nfs/dbraw/zinc/29/93/67/1118299367.db2.gz KFMGIXQVAYTNIF-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc(C)c(C)o2)cc1OC ZINC000282244551 1118306735 /nfs/dbraw/zinc/30/67/35/1118306735.db2.gz QCDBPASRTHJVCC-LBPRGKRZSA-N 0 1 289.375 3.764 20 0 CHADMN CCc1ccc(-c2noc(CN3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000061757907 1118308066 /nfs/dbraw/zinc/30/80/66/1118308066.db2.gz AALQOGAFGRKXPF-KBPBESRZSA-N 0 1 299.418 3.777 20 0 CHADMN CCCCN(CC)C(=O)CN(CCC)Cc1ccccc1 ZINC000061780729 1118310329 /nfs/dbraw/zinc/31/03/29/1118310329.db2.gz HFMMKFLFMFTEKX-UHFFFAOYSA-N 0 1 290.451 3.547 20 0 CHADMN CC1(C)CCC(CNc2cnn(-c3ccncc3)c2)CC1 ZINC001649070963 1118312256 /nfs/dbraw/zinc/31/22/56/1118312256.db2.gz QUCKPIBCDPYLSF-UHFFFAOYSA-N 0 1 284.407 3.896 20 0 CHADMN CC[C@@H](C)C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000340508525 1118312846 /nfs/dbraw/zinc/31/28/46/1118312846.db2.gz JVRULKUQKZWAKP-SNVBAGLBSA-N 0 1 283.331 3.808 20 0 CHADMN CCc1cc(NCc2[nH]nc3ccccc32)ccc1F ZINC000671724762 1118313430 /nfs/dbraw/zinc/31/34/30/1118313430.db2.gz TZUHTVBEWUATRR-UHFFFAOYSA-N 0 1 269.323 3.877 20 0 CHADMN CC(C)C[C@H](C)CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000340514699 1118315006 /nfs/dbraw/zinc/31/50/06/1118315006.db2.gz GXGJSEBGEVQLJX-NSHDSACASA-N 0 1 259.353 3.574 20 0 CHADMN CC[C@@H]1CC[C@@H](C)C[C@H]1NCc1ncn(-c2ccccc2)n1 ZINC000340522789 1118315731 /nfs/dbraw/zinc/31/57/31/1118315731.db2.gz DWYHRASBIZLIHE-BFYDXBDKSA-N 0 1 298.434 3.572 20 0 CHADMN CC[C@H](N[C@H]1CCC[C@H]1F)c1ccccc1OC ZINC000340523045 1118315889 /nfs/dbraw/zinc/31/58/89/1118315889.db2.gz MPJUGQVSNOFTTN-RDBSUJKOSA-N 0 1 251.345 3.627 20 0 CHADMN CC(C)c1nc(CN2CCC[C@H]2C(C)C)cs1 ZINC000063618914 1118318742 /nfs/dbraw/zinc/31/87/42/1118318742.db2.gz BVOVCJZJLOHGNA-ZDUSSCGKSA-N 0 1 252.427 3.887 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]1F)CCCO2 ZINC000340531718 1118321846 /nfs/dbraw/zinc/32/18/46/1118321846.db2.gz PVOAZWJRRINMEK-MCIONIFRSA-N 0 1 267.319 3.520 20 0 CHADMN CCO[C@H]1CCCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000155473460 1118324287 /nfs/dbraw/zinc/32/42/87/1118324287.db2.gz XYJYOWSBMWDOSS-AWEZNQCLSA-N 0 1 294.464 3.802 20 0 CHADMN CC1(C)C[C@@H](NC2(c3c(F)cccc3F)CCC2)CO1 ZINC000624345576 1118324367 /nfs/dbraw/zinc/32/43/67/1118324367.db2.gz MWMVLXNPNOGREI-LLVKDONJSA-N 0 1 281.346 3.501 20 0 CHADMN C[C@H](c1ccc(OC(F)F)cc1)N1C[C@H](C)OC(C)(C)C1 ZINC000065281403 1118332455 /nfs/dbraw/zinc/33/24/55/1118332455.db2.gz CHZNIBMBTLADRF-NWDGAFQWSA-N 0 1 299.361 3.848 20 0 CHADMN CCCN1CCCC[C@@H]1C(=O)Nc1cccc(Cl)c1C ZINC000110487607 1118337555 /nfs/dbraw/zinc/33/75/55/1118337555.db2.gz KOIAYLUOZYXQGI-OAHLLOKOSA-N 0 1 294.826 3.851 20 0 CHADMN Fc1cc(-c2ccc3[nH]nnc3c2)ccc1C(F)(F)F ZINC000150002106 1118344708 /nfs/dbraw/zinc/34/47/08/1118344708.db2.gz ORQMSANTYUBZPF-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN Fc1cc(-c2ccc3nn[nH]c3c2)ccc1C(F)(F)F ZINC000150002106 1118344711 /nfs/dbraw/zinc/34/47/11/1118344711.db2.gz ORQMSANTYUBZPF-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN CC(C)c1noc([C@@H](C)N(C)C[C@@H](C)c2ccccc2)n1 ZINC000066854654 1118348228 /nfs/dbraw/zinc/34/82/28/1118348228.db2.gz VGJBQDFVYBJBJF-ZIAGYGMSSA-N 0 1 287.407 3.990 20 0 CHADMN CCn1ccnc1CN1CCC[C@@H](c2ccccc2)CC1 ZINC000066897639 1118349327 /nfs/dbraw/zinc/34/93/27/1118349327.db2.gz MDKNGWDOIHEIKT-QGZVFWFLSA-N 0 1 283.419 3.673 20 0 CHADMN COc1ccccc1/C=C/CN(Cc1ccccn1)C1CC1 ZINC000349283987 1118350945 /nfs/dbraw/zinc/35/09/45/1118350945.db2.gz RKDONDOMTPRWAS-SOFGYWHQSA-N 0 1 294.398 3.768 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1scnc1C1CC1 ZINC000683774240 1118355773 /nfs/dbraw/zinc/35/57/73/1118355773.db2.gz CJKQIVSYEXQLMZ-NSHDSACASA-N 0 1 273.405 3.575 20 0 CHADMN c1c(CN2CC(C3CCCCC3)C2)onc1C1CC1 ZINC000639250478 1118357582 /nfs/dbraw/zinc/35/75/82/1118357582.db2.gz QUFIRYWUTQEUFY-UHFFFAOYSA-N 0 1 260.381 3.564 20 0 CHADMN CCOc1cccc([C@H](C)N[C@H](c2nccn2C)C2CC2)c1 ZINC000671766536 1118359572 /nfs/dbraw/zinc/35/95/72/1118359572.db2.gz UFAFIHIBFOTCIO-GUYCJALGSA-N 0 1 299.418 3.621 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@@H](C)CC1 ZINC000068837766 1118365821 /nfs/dbraw/zinc/36/58/21/1118365821.db2.gz KPIAEEAVAWDMOR-NEPJUHHUSA-N 0 1 291.420 3.981 20 0 CHADMN CN(Cc1ccc(-n2ccnc2)cc1)Cc1ccccc1F ZINC000070737312 1118371331 /nfs/dbraw/zinc/37/13/31/1118371331.db2.gz ITDQNXOWHGREJB-UHFFFAOYSA-N 0 1 295.361 3.643 20 0 CHADMN CC(C)[C@@H](NCc1cn2ccccc2n1)c1ccc(F)cc1 ZINC000072836351 1118375460 /nfs/dbraw/zinc/37/54/60/1118375460.db2.gz HIFWSRIKUFCRPM-GOSISDBHSA-N 0 1 297.377 3.960 20 0 CHADMN COc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)c(F)c1 ZINC000580083493 1118376242 /nfs/dbraw/zinc/37/62/42/1118376242.db2.gz WHHXOMCZCYUQPD-INIZCTEOSA-N 0 1 275.367 3.599 20 0 CHADMN COc1cc([C@@H](C)NC2(c3cccc(F)c3)CC2)ccn1 ZINC000565517057 1118379034 /nfs/dbraw/zinc/37/90/34/1118379034.db2.gz LJVDPIMZDYUJBC-GFCCVEGCSA-N 0 1 286.350 3.569 20 0 CHADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCC1CCCCCC1 ZINC000394530534 1118379750 /nfs/dbraw/zinc/37/97/50/1118379750.db2.gz JNFSSJNYCGJLJC-OAGGEKHMSA-N 0 1 279.424 3.532 20 0 CHADMN CCN(CC)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000073101708 1118379871 /nfs/dbraw/zinc/37/98/71/1118379871.db2.gz LCUHYOXBLDQLKZ-KRWDZBQOSA-N 0 1 282.387 3.708 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N(C)C2(C)CCCC2)o1 ZINC000683813340 1118383584 /nfs/dbraw/zinc/38/35/84/1118383584.db2.gz XPWPPZKERFZDFR-UHFFFAOYSA-N 0 1 292.423 3.526 20 0 CHADMN COC[C@H](NCc1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000683816401 1118386244 /nfs/dbraw/zinc/38/62/44/1118386244.db2.gz PXWAQOARXDWAPH-INIZCTEOSA-N 0 1 291.778 3.523 20 0 CHADMN CNc1ccc(C)cc1CN[C@H](C)c1cnc(C)s1 ZINC000902631456 1118401612 /nfs/dbraw/zinc/40/16/12/1118401612.db2.gz WTIDBIDRWPOXDW-LLVKDONJSA-N 0 1 275.421 3.652 20 0 CHADMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2sccc2Cl)C[C@@H]1O ZINC000683835102 1118401689 /nfs/dbraw/zinc/40/16/89/1118401689.db2.gz OJYCQJHYXDQWET-PWSUYJOCSA-N 0 1 287.856 3.630 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2sccc2Cl)C[C@@H]1O ZINC000683835102 1118401691 /nfs/dbraw/zinc/40/16/91/1118401691.db2.gz OJYCQJHYXDQWET-PWSUYJOCSA-N 0 1 287.856 3.630 20 0 CHADMN C[C@@H]1CN(c2cc[nH+]c3c([O-])cccc23)C[C@@H](C)C1(F)F ZINC000624445573 1118404368 /nfs/dbraw/zinc/40/43/68/1118404368.db2.gz MQLBOLTUJKFFTK-GHMZBOCLSA-N 0 1 292.329 3.668 20 0 CHADMN CC(C)(C)C=CC(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000255296330 1118411319 /nfs/dbraw/zinc/41/13/19/1118411319.db2.gz MZNQFEZPHAWVAD-HJWRWDBZSA-N 0 1 269.348 3.618 20 0 CHADMN CC[C@H](C)[C@H](C)[N@@H+](Cc1ccccc1C(=O)[O-])C1CC1 ZINC000580319665 1118420571 /nfs/dbraw/zinc/42/05/71/1118420571.db2.gz TYRNKCUMLDDUGT-STQMWFEESA-N 0 1 275.392 3.784 20 0 CHADMN Cc1ccc(NC(=O)c2c(O)cccc2Cl)cc1C ZINC000049082198 1118424405 /nfs/dbraw/zinc/42/44/05/1118424405.db2.gz LJMITAFFPIUOAW-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN C[C@H](NCc1ccccc1F)c1ccc2c(c1)CCC(=O)N2 ZINC000047828412 1118424881 /nfs/dbraw/zinc/42/48/81/1118424881.db2.gz AMPWANZUGKQKGD-LBPRGKRZSA-N 0 1 298.361 3.561 20 0 CHADMN Cc1ccccc1-c1nc(CN2CC[C@@H]3CCCC[C@@H]32)no1 ZINC000124929024 1118425497 /nfs/dbraw/zinc/42/54/97/1118425497.db2.gz IUOVDEGZXAJGBN-HOCLYGCPSA-N 0 1 297.402 3.810 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@@H]2c2cccc(F)c2)o1 ZINC000683899747 1118434395 /nfs/dbraw/zinc/43/43/95/1118434395.db2.gz ZAEBLPUMTFTJJX-OAHLLOKOSA-N 0 1 274.339 3.768 20 0 CHADMN CCCCC[C@H](NC)c1nc(-c2ccc(C)cc2)no1 ZINC001212279121 1128777518 /nfs/dbraw/zinc/77/75/18/1128777518.db2.gz JWTNLHYVFJZRHP-AWEZNQCLSA-N 0 1 273.380 3.886 20 0 CHADMN CO[C@H](CNCc1c(F)cccc1F)c1ccc(F)cc1 ZINC000072923768 1118452812 /nfs/dbraw/zinc/45/28/12/1118452812.db2.gz JNAOWRDZBWJSPB-MRXNPFEDSA-N 0 1 295.304 3.581 20 0 CHADMN Cc1nccc(N2CCC[C@@H](OC3CCC3)C2)c1Cl ZINC000656217787 1118454593 /nfs/dbraw/zinc/45/45/93/1118454593.db2.gz STEVTICXTBNKLE-CYBMUJFWSA-N 0 1 280.799 3.581 20 0 CHADMN C[C@H](NCc1cocn1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683941379 1118458033 /nfs/dbraw/zinc/45/80/33/1118458033.db2.gz LLASCZJYJYVNPV-INTQDDNPSA-N 0 1 282.796 3.671 20 0 CHADMN CC(C)CCN(Cc1nc2ccccc2[nH]1)C1CC1 ZINC000129828921 1118459407 /nfs/dbraw/zinc/45/94/07/1118459407.db2.gz HAWNQNCXGBJCRL-UHFFFAOYSA-N 0 1 257.381 3.573 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1C(=O)c1cnc(C(C)C)[nH]1 ZINC000074225464 1118465255 /nfs/dbraw/zinc/46/52/55/1118465255.db2.gz ADWZNZLEFRTHNO-INIZCTEOSA-N 0 1 297.402 3.819 20 0 CHADMN COCC1(C2CC2)CN(Cc2cc(C)cc(Cl)c2)C1 ZINC000639382732 1118478517 /nfs/dbraw/zinc/47/85/17/1118478517.db2.gz IDAMRYIZVRTDMK-UHFFFAOYSA-N 0 1 279.811 3.507 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccc1C(F)(F)F)c1cn[nH]c1 ZINC000222466493 1118479949 /nfs/dbraw/zinc/47/99/49/1118479949.db2.gz UYNYFCMAHFDNDQ-UWVGGRQHSA-N 0 1 283.297 3.840 20 0 CHADMN Cc1nn(-c2ccccc2Cl)cc1CN1CC=CCC1 ZINC000656255639 1118482390 /nfs/dbraw/zinc/48/23/90/1118482390.db2.gz NMUYLQPEEUEXIN-UHFFFAOYSA-N 0 1 287.794 3.596 20 0 CHADMN Cc1ccc(-c2ncc(CN3CC(C)C3)s2)cc1C ZINC000656257074 1118482503 /nfs/dbraw/zinc/48/25/03/1118482503.db2.gz DHJMTDGUNSYRFN-UHFFFAOYSA-N 0 1 272.417 3.879 20 0 CHADMN Fc1cccc(-c2noc(-c3cc(-c4ccoc4)n[nH]3)n2)c1 ZINC000544919749 1118483375 /nfs/dbraw/zinc/48/33/75/1118483375.db2.gz FDOIBHAJSHKQSC-UHFFFAOYSA-N 0 1 296.261 3.526 20 0 CHADMN O=C(Nc1ccc(F)c(F)c1O)[C@@H]1CCCC2(CC2)C1 ZINC000616195306 1128780800 /nfs/dbraw/zinc/78/08/00/1128780800.db2.gz VLYRDPUTCHBFQA-SECBINFHSA-N 0 1 281.302 3.579 20 0 CHADMN Clc1ccc(CNCc2ccc3ccccc3n2)cn1 ZINC000742367430 1118485976 /nfs/dbraw/zinc/48/59/76/1118485976.db2.gz SZHZBQGWKLLYBJ-UHFFFAOYSA-N 0 1 283.762 3.573 20 0 CHADMN Cn1cncc1Nc1ccc(Cl)c(Br)c1 ZINC001211250039 1118487350 /nfs/dbraw/zinc/48/73/50/1118487350.db2.gz FLRVRDVWBDNASE-UHFFFAOYSA-N 0 1 286.560 3.580 20 0 CHADMN CC(=O)c1cc(Cl)c(Nc2cncn2C)c(Cl)c1 ZINC001211250631 1118488276 /nfs/dbraw/zinc/48/82/76/1118488276.db2.gz OYSDXASQZLBXSZ-UHFFFAOYSA-N 0 1 284.146 3.673 20 0 CHADMN Cn1cncc1Nc1ccc2sc(C(F)(F)F)nc2c1 ZINC001211252163 1118488293 /nfs/dbraw/zinc/48/82/93/1118488293.db2.gz CLIXQVUMPUJJIA-UHFFFAOYSA-N 0 1 298.293 3.792 20 0 CHADMN Cn1cncc1Nc1cc(F)ccc1OCC(C)(C)C ZINC001211252215 1118488585 /nfs/dbraw/zinc/48/85/85/1118488585.db2.gz FUTVWSSSHIGWFP-UHFFFAOYSA-N 0 1 277.343 3.728 20 0 CHADMN COc1cnccc1Nc1ccc(C)cc1C(F)(F)F ZINC001211264727 1118492397 /nfs/dbraw/zinc/49/23/97/1118492397.db2.gz KAXKAEFFTDIRRY-UHFFFAOYSA-N 0 1 282.265 3.583 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NCC1(C2CCC2)CCC1 ZINC000580698990 1118493417 /nfs/dbraw/zinc/49/34/17/1118493417.db2.gz ACLHRVOGFDCMHU-UHFFFAOYSA-N 0 1 289.423 3.542 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CCC[C@H]1CC1CCCC1 ZINC000655367983 1118496787 /nfs/dbraw/zinc/49/67/87/1118496787.db2.gz RZWDGQYTRXIUDE-HNNXBMFYSA-N 0 1 297.402 3.748 20 0 CHADMN Clc1ccnc(Cl)c1CN[C@H]1CCCC12CC2 ZINC001660449602 1118502243 /nfs/dbraw/zinc/50/22/43/1118502243.db2.gz RHYQDVQYVVCHJM-NSHDSACASA-N 0 1 271.191 3.811 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)c1ccccc1F ZINC001167434052 1118503371 /nfs/dbraw/zinc/50/33/71/1118503371.db2.gz RKPRDUUKTQDMDQ-WWGRRREGSA-N 0 1 275.367 3.661 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C[C@@H]2CCCCO2)C2CC2)o1 ZINC000048043494 1118506097 /nfs/dbraw/zinc/50/60/97/1118506097.db2.gz WHMZTQAQSHGHOW-UKPHBRMFSA-N 0 1 289.419 3.937 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN(C[C@@H]2CCCCO2)C2CC2)o1 ZINC000048043494 1118506098 /nfs/dbraw/zinc/50/60/98/1118506098.db2.gz WHMZTQAQSHGHOW-UKPHBRMFSA-N 0 1 289.419 3.937 20 0 CHADMN CCC(C)(C)CC[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000580838899 1118512907 /nfs/dbraw/zinc/51/29/07/1118512907.db2.gz WMKMDLQTXSVYCP-SFHVURJKSA-N 0 1 289.419 3.541 20 0 CHADMN Cc1ccccc1[C@H]1C[N@@H+](CCC2CCC2)[C@H](C)CO1 ZINC001167437473 1118516506 /nfs/dbraw/zinc/51/65/06/1118516506.db2.gz GXRNOXCDBOOMGI-CRAIPNDOSA-N 0 1 273.420 3.947 20 0 CHADMN C[C@@H](NC1(c2c(F)cccc2F)CCC1)[C@@H]1CCCO1 ZINC000624345885 1118519717 /nfs/dbraw/zinc/51/97/17/1118519717.db2.gz ZIISIRMABMRGQQ-RISCZKNCSA-N 0 1 281.346 3.501 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](CO)c2ccsc2)c(C)c1 ZINC000349356590 1118520577 /nfs/dbraw/zinc/52/05/77/1118520577.db2.gz QXJTZUKFQBBPSP-CZUORRHYSA-N 0 1 275.417 3.749 20 0 CHADMN C[C@H]1C[C@H]1CC(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000580923999 1118523183 /nfs/dbraw/zinc/52/31/83/1118523183.db2.gz QAKKDTZFGZYEOM-YUMQZZPRSA-N 0 1 297.280 3.566 20 0 CHADMN C[C@H](N[C@@H]1CCCOC1)c1cc(F)c(Cl)cc1Cl ZINC000109545453 1118531188 /nfs/dbraw/zinc/53/11/88/1118531188.db2.gz SOOCDJVGBOYJEW-DTWKUNHWSA-N 0 1 292.181 3.962 20 0 CHADMN CCCCC[C@H](NC)c1nc(-c2cnc(C)c(C)c2)no1 ZINC001212281187 1128783737 /nfs/dbraw/zinc/78/37/37/1128783737.db2.gz LHGGVWGFCRRDBQ-AWEZNQCLSA-N 0 1 288.395 3.589 20 0 CHADMN CCCCC[C@H](NC)c1nc(-c2cccc(C)c2)no1 ZINC001212281071 1128783845 /nfs/dbraw/zinc/78/38/45/1128783845.db2.gz FXQJLLFILSSEIB-AWEZNQCLSA-N 0 1 273.380 3.886 20 0 CHADMN Cc1cc(OCc2nnc(-c3ccccc3)s2)cc(C)n1 ZINC000128137743 1118537526 /nfs/dbraw/zinc/53/75/26/1118537526.db2.gz RMVRCLHYXYQTIA-UHFFFAOYSA-N 0 1 297.383 3.796 20 0 CHADMN CC(C)(C)c1cnc(CN2CCC[C@@H]2C2CC2)s1 ZINC000684142668 1118539256 /nfs/dbraw/zinc/53/92/56/1118539256.db2.gz CGVGDKDVGKFYFM-GFCCVEGCSA-N 0 1 264.438 3.815 20 0 CHADMN CCCN(CCC)Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000081395369 1118542759 /nfs/dbraw/zinc/54/27/59/1118542759.db2.gz QOMAISNXRYRTPH-UHFFFAOYSA-N 0 1 292.814 3.543 20 0 CHADMN CCCc1cc(-c2nc([C@@H]3CCCN3)no2)ccc1Cl ZINC000647145824 1118547601 /nfs/dbraw/zinc/54/76/01/1118547601.db2.gz FKTVOUUWLBEHSC-ZDUSSCGKSA-N 0 1 291.782 3.767 20 0 CHADMN CCOc1ccc([C@H](C)NCc2ccc3c(n2)CCC3)cc1 ZINC000656471496 1118560927 /nfs/dbraw/zinc/56/09/27/1118560927.db2.gz VTXQCNSTBKVTET-AWEZNQCLSA-N 0 1 296.414 3.820 20 0 CHADMN CCCCC[C@H](NC)c1nc(-c2cnc(C)cc2C)no1 ZINC001212281363 1128785632 /nfs/dbraw/zinc/78/56/32/1128785632.db2.gz VEMJNFGUWBTKON-AWEZNQCLSA-N 0 1 288.395 3.589 20 0 CHADMN c1ccc2c(c1)CSC[C@H]2NCc1ccc2c(n1)CCC2 ZINC000656492291 1118565559 /nfs/dbraw/zinc/56/55/59/1118565559.db2.gz PMOJRMDSSCSXHL-GOSISDBHSA-N 0 1 296.439 3.648 20 0 CHADMN CCO[C@@H]1CCCN(Cc2cccc(C(F)F)c2)C1 ZINC000684203769 1118565608 /nfs/dbraw/zinc/56/56/08/1118565608.db2.gz PKGKFAPNHGUIGA-CQSZACIVSA-N 0 1 269.335 3.625 20 0 CHADMN C[C@H](NCc1ccc(O)cc1)c1cc(F)ccc1F ZINC000035256195 1118573981 /nfs/dbraw/zinc/57/39/81/1118573981.db2.gz MQUSAIOLZSQNEO-JTQLQIEISA-N 0 1 263.287 3.521 20 0 CHADMN Cc1ncc(C(=O)N(C)[C@@H]2CCCC[C@H]2c2ccccc2)[nH]1 ZINC000616328318 1128786811 /nfs/dbraw/zinc/78/68/11/1128786811.db2.gz JMJXTXMWIZRXBD-DOTOQJQBSA-N 0 1 297.402 3.517 20 0 CHADMN CO[C@H]1CCCN(Cc2c(F)cc(C)cc2Cl)CC1 ZINC000656537004 1118586854 /nfs/dbraw/zinc/58/68/54/1118586854.db2.gz ZWMWDZORSDIVJB-LBPRGKRZSA-N 0 1 285.790 3.788 20 0 CHADMN CC(C)C[C@H](N)c1noc(C2CC3(C2)CCCCC3)n1 ZINC000656562270 1118596687 /nfs/dbraw/zinc/59/66/87/1118596687.db2.gz ZRQOLPYIMUIUKM-ZDUSSCGKSA-N 0 1 277.412 3.943 20 0 CHADMN c1c[nH]c([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)CCCO3)c1 ZINC000891404733 1118600616 /nfs/dbraw/zinc/60/06/16/1118600616.db2.gz MHZAUUHUIVKGAN-KRWDZBQOSA-N 0 1 282.387 3.677 20 0 CHADMN CC(C)Cc1ccc(CN2CCC[C@H]2c2ccc[nH]2)cn1 ZINC000891408271 1118601409 /nfs/dbraw/zinc/60/14/09/1118601409.db2.gz XFSLPRSJVOIFQD-SFHVURJKSA-N 0 1 283.419 3.945 20 0 CHADMN CC1(C)CCN(Cc2nc3cc(F)ccc3o2)CC1 ZINC000341182236 1118611444 /nfs/dbraw/zinc/61/14/44/1118611444.db2.gz IIEDDJFRZVOHNW-UHFFFAOYSA-N 0 1 262.328 3.589 20 0 CHADMN CCN1C[C@@H](C)N(C(=O)C(C)(C)C2CCCCC2)C[C@H]1C ZINC001127595757 1128789384 /nfs/dbraw/zinc/78/93/84/1128789384.db2.gz VZCBNIFDNOXGCW-HUUCEWRRSA-N 0 1 294.483 3.534 20 0 CHADMN CC1(C)CN(C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CCC1=O ZINC001207194714 1118627943 /nfs/dbraw/zinc/62/79/43/1118627943.db2.gz YUOHWEBWUPSOJL-ZFWWWQNUSA-N 0 1 291.822 3.745 20 0 CHADMN Cc1ccc(CN2CC(CC(F)(F)F)C2)c(C)c1 ZINC000656686072 1118636033 /nfs/dbraw/zinc/63/60/33/1118636033.db2.gz YYOCOIUZLIXHJM-UHFFFAOYSA-N 0 1 257.299 3.688 20 0 CHADMN C[C@H](CN1CC2(CC(F)C2)C1)c1cc(F)cc(F)c1 ZINC000656693881 1118638442 /nfs/dbraw/zinc/63/84/42/1118638442.db2.gz WERKUYGJMBNTGJ-SNVBAGLBSA-N 0 1 269.310 3.502 20 0 CHADMN COCc1ccccc1/C=C(/C)CN1CC2(CC(F)C2)C1 ZINC000656693582 1118639756 /nfs/dbraw/zinc/63/97/56/1118639756.db2.gz LUTVMTNMZSKGAJ-AUWJEWJLSA-N 0 1 289.394 3.670 20 0 CHADMN O[C@@H](CC1CCCC1)CN1CC[C@H]1c1ccc(F)cc1 ZINC000656708980 1118641231 /nfs/dbraw/zinc/64/12/31/1118641231.db2.gz SGUUXCHBVGSWFF-IRXDYDNUSA-N 0 1 277.383 3.514 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cnc(C)nc2)c(C)c1 ZINC000341266536 1118644218 /nfs/dbraw/zinc/64/42/18/1118644218.db2.gz KVEQAQYLJIRBGS-AWEZNQCLSA-N 0 1 269.392 3.595 20 0 CHADMN Cc1cccc(C)c1[C@@H]1CCC[N@H+]1Cc1occc1C(=O)[O-] ZINC000656755816 1118650217 /nfs/dbraw/zinc/65/02/17/1118650217.db2.gz DEAGRNMRUKWKAB-HNNXBMFYSA-N 0 1 299.370 3.932 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCCC3(CCCC3)CC2)cs1 ZINC000656757860 1118650275 /nfs/dbraw/zinc/65/02/75/1118650275.db2.gz BLQOWEYVNSRJPC-UHFFFAOYSA-N 0 1 293.432 3.993 20 0 CHADMN COc1ccnc([C@H](C)NCc2ccc(Cl)c(C)c2)c1 ZINC000926160605 1118651571 /nfs/dbraw/zinc/65/15/71/1118651571.db2.gz PZLCANIOOVYDRT-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC000656762533 1118651721 /nfs/dbraw/zinc/65/17/21/1118651721.db2.gz DWZKUULEIXXLBW-ZDUSSCGKSA-N 0 1 269.429 3.778 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000656763029 1118651771 /nfs/dbraw/zinc/65/17/71/1118651771.db2.gz JZRUELFMCHKTTJ-UHFFFAOYSA-N 0 1 275.392 3.787 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2ccsc2C(=O)[O-])C1 ZINC000656762542 1118651860 /nfs/dbraw/zinc/65/18/60/1118651860.db2.gz FAEOPHIIYXGCDU-UHFFFAOYSA-N 0 1 281.421 3.849 20 0 CHADMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccnn1C(C)C ZINC000684361650 1118651886 /nfs/dbraw/zinc/65/18/86/1118651886.db2.gz VECWEBILNMBVOH-SFHVURJKSA-N 0 1 283.419 3.973 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1ccnn1C(C)C ZINC000684361650 1118651888 /nfs/dbraw/zinc/65/18/88/1118651888.db2.gz VECWEBILNMBVOH-SFHVURJKSA-N 0 1 283.419 3.973 20 0 CHADMN CCCOc1ccc(CNc2nccn2CC)c(C)c1 ZINC000656777123 1118655501 /nfs/dbraw/zinc/65/55/01/1118655501.db2.gz XRSXDXKJNJQWMX-UHFFFAOYSA-N 0 1 273.380 3.612 20 0 CHADMN Cc1ccnc(NCc2cnc(C3CC3)nc2)c1C1CC1 ZINC000656779383 1118655718 /nfs/dbraw/zinc/65/57/18/1118655718.db2.gz NOPYTWYLPOTIBC-UHFFFAOYSA-N 0 1 280.375 3.547 20 0 CHADMN Cc1ccnc(NCc2nn(C)c3ccccc23)c1C1CC1 ZINC000656779221 1118656085 /nfs/dbraw/zinc/65/60/85/1118656085.db2.gz JIDGEASUNWTBER-UHFFFAOYSA-N 0 1 292.386 3.766 20 0 CHADMN Cc1ccnc(NCc2cccc(O)c2)c1C1CC1 ZINC000656778788 1118656111 /nfs/dbraw/zinc/65/61/11/1118656111.db2.gz ATJQRLHONWNBFY-UHFFFAOYSA-N 0 1 254.333 3.585 20 0 CHADMN Cc1ccc(CNc2nccc(C)c2C2CC2)nc1 ZINC000656779694 1118656170 /nfs/dbraw/zinc/65/61/70/1118656170.db2.gz UKQBZHGNJSEPAW-UHFFFAOYSA-N 0 1 253.349 3.583 20 0 CHADMN Cc1ccnc(NCc2cnn(C(C)(C)C)c2)c1C1CC1 ZINC000656779303 1118656261 /nfs/dbraw/zinc/65/62/61/1118656261.db2.gz LPQGTTITFHVPDA-UHFFFAOYSA-N 0 1 284.407 3.831 20 0 CHADMN CCC1(C)CN(Cc2cc3cc(Cl)cnc3o2)C1 ZINC000656807545 1118659827 /nfs/dbraw/zinc/65/98/27/1118659827.db2.gz BTMHDWMOMBUXHH-UHFFFAOYSA-N 0 1 264.756 3.713 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)Cc1cnn(C)c1 ZINC000129977825 1118677758 /nfs/dbraw/zinc/67/77/58/1118677758.db2.gz UFYOSKMLYJVXMF-CQSZACIVSA-N 0 1 285.435 3.911 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)N(C)Cc1cnn(C)c1 ZINC000129977825 1118677762 /nfs/dbraw/zinc/67/77/62/1118677762.db2.gz UFYOSKMLYJVXMF-CQSZACIVSA-N 0 1 285.435 3.911 20 0 CHADMN COc1ccc([C@H](C)[C@H](C)NC(C)(C)C(F)F)cc1 ZINC000684413943 1118688112 /nfs/dbraw/zinc/68/81/12/1118688112.db2.gz MTKKDZPPGJSGSF-MNOVXSKESA-N 0 1 271.351 3.821 20 0 CHADMN C[C@@H]1CCCN(Cc2noc3c2CC(C)(C)CC3)[C@H]1C ZINC001167482218 1118690201 /nfs/dbraw/zinc/69/02/01/1118690201.db2.gz HJQZXFZBZPVXJE-OLZOCXBDSA-N 0 1 276.424 3.810 20 0 CHADMN CCOc1ccc(CN(C)Cc2cnc(F)cc2C)cc1 ZINC000891472928 1118691397 /nfs/dbraw/zinc/69/13/97/1118691397.db2.gz ZUJRCUJTQCWALS-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)nc1Cl ZINC001167482374 1118692085 /nfs/dbraw/zinc/69/20/85/1118692085.db2.gz JUAWNIKZZPQXBF-ZYHUDNBSSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](C)[C@H]2C)nc1Cl ZINC001167482374 1118692086 /nfs/dbraw/zinc/69/20/86/1118692086.db2.gz JUAWNIKZZPQXBF-ZYHUDNBSSA-N 0 1 252.789 3.664 20 0 CHADMN CC(C)COc1ccc(-n2c(N)nc3ccccc32)cc1 ZINC001212284022 1128794356 /nfs/dbraw/zinc/79/43/56/1128794356.db2.gz WGQIZTKHDXOEHH-UHFFFAOYSA-N 0 1 281.359 3.643 20 0 CHADMN O=C(CCC(F)F)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000684423191 1118698355 /nfs/dbraw/zinc/69/83/55/1118698355.db2.gz WWHKUWZOBAFITI-UHFFFAOYSA-N 0 1 293.317 3.814 20 0 CHADMN CCc1cccc(F)c1CN1CCC(F)(F)CC1 ZINC000684429323 1118705226 /nfs/dbraw/zinc/70/52/26/1118705226.db2.gz SOWOQYJGVKSIJZ-UHFFFAOYSA-N 0 1 257.299 3.619 20 0 CHADMN Cc1nsc(C)c1CN[C@H](C)c1ccc2c(c1)CCO2 ZINC000933490228 1118705957 /nfs/dbraw/zinc/70/59/57/1118705957.db2.gz SZSSSWIABWTVBE-SNVBAGLBSA-N 0 1 288.416 3.546 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2cnc(F)c(C)c2)cc1 ZINC000891565605 1118711680 /nfs/dbraw/zinc/71/16/80/1118711680.db2.gz JPILSXICXUYJOK-CYBMUJFWSA-N 0 1 288.366 3.731 20 0 CHADMN Cn1ccc(CNCc2c(Cl)oc3ccccc32)c1 ZINC000341511327 1118718035 /nfs/dbraw/zinc/71/80/35/1118718035.db2.gz KVOXWWASYVOICL-UHFFFAOYSA-N 0 1 274.751 3.715 20 0 CHADMN Cc1cc(CN[C@H](c2cccc(F)c2)C(C)(C)C)ncn1 ZINC000293151179 1118720200 /nfs/dbraw/zinc/72/02/00/1118720200.db2.gz MKNWNGMTEWUYGZ-MRXNPFEDSA-N 0 1 287.382 3.801 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1nc(C(C)(C)C)co1 ZINC000891617415 1118722007 /nfs/dbraw/zinc/72/20/07/1118722007.db2.gz GXWCOJCYOZEBPI-GFCCVEGCSA-N 0 1 250.386 3.593 20 0 CHADMN CN(Cc1sccc1NC(=O)OC(C)(C)C)C1CC1 ZINC000891620419 1118723095 /nfs/dbraw/zinc/72/30/95/1118723095.db2.gz ZCEBYUMRPHPMMC-UHFFFAOYSA-N 0 1 282.409 3.689 20 0 CHADMN CCOc1cccc(CNCc2c(C)oc3ccccc32)n1 ZINC000341533959 1118724958 /nfs/dbraw/zinc/72/49/58/1118724958.db2.gz LTQFCIPKFAPNAT-UHFFFAOYSA-N 0 1 296.370 3.825 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2cnc(C)s2)cc1F ZINC000090408632 1118725709 /nfs/dbraw/zinc/72/57/09/1118725709.db2.gz ASGQZCQTNJBVOI-SNVBAGLBSA-N 0 1 294.395 3.840 20 0 CHADMN CN(CCCCO)Cc1ccc(-c2ccccc2)cc1F ZINC000471797415 1118734895 /nfs/dbraw/zinc/73/48/95/1118734895.db2.gz IXOCMZVYMLDQHD-UHFFFAOYSA-N 0 1 287.378 3.697 20 0 CHADMN COc1ccc(F)c(F)c1CN1CCCC[C@H](C)C1 ZINC001143403778 1118735442 /nfs/dbraw/zinc/73/54/42/1118735442.db2.gz HGERNYGTKBOIHP-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN c1ccc(C2CC2)c(CSCc2n[nH]c(C3CC3)n2)c1 ZINC000341557055 1118741048 /nfs/dbraw/zinc/74/10/48/1118741048.db2.gz ULHURUSSHXVZHN-UHFFFAOYSA-N 0 1 285.416 3.993 20 0 CHADMN c1ccc(C[C@H]2CCN2Cc2nc3cccnc3s2)cc1 ZINC000341576426 1118744135 /nfs/dbraw/zinc/74/41/35/1118744135.db2.gz BDACEFINAZMSMI-CQSZACIVSA-N 0 1 295.411 3.508 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CCCO[C@@H]1CC(C)C ZINC000926213339 1118749532 /nfs/dbraw/zinc/74/95/32/1118749532.db2.gz PIAOWISFNIQINU-OFQRWUPVSA-N 0 1 292.423 3.544 20 0 CHADMN Cc1cc(F)ncc1CN1CCC(OCCC(C)C)CC1 ZINC000891724257 1118752081 /nfs/dbraw/zinc/75/20/81/1118752081.db2.gz BMWXWLQZSJIZCB-UHFFFAOYSA-N 0 1 294.414 3.556 20 0 CHADMN CCC1(C)CCN(Cc2nc3cccnc3s2)CC1 ZINC000341607745 1118756376 /nfs/dbraw/zinc/75/63/76/1118756376.db2.gz BPXCKSSDEWHXQD-UHFFFAOYSA-N 0 1 275.421 3.703 20 0 CHADMN Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCCC(C)(C)C1 ZINC000510540755 1118767387 /nfs/dbraw/zinc/76/73/87/1118767387.db2.gz WYNIUJOMIRFDOV-UHFFFAOYSA-N 0 1 291.826 3.849 20 0 CHADMN Cn1c2cc(Cl)ccc2nc1CN1CCCC(C)(C)C1 ZINC000510540755 1118767389 /nfs/dbraw/zinc/76/73/89/1118767389.db2.gz WYNIUJOMIRFDOV-UHFFFAOYSA-N 0 1 291.826 3.849 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2C[C@H](C)n3ccnc32)c(C)c1 ZINC000293848802 1118779788 /nfs/dbraw/zinc/77/97/88/1118779788.db2.gz CMIPRUIYROKULH-OFQRWUPVSA-N 0 1 269.392 3.857 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000430865710 1118779819 /nfs/dbraw/zinc/77/98/19/1118779819.db2.gz DHZZTNSTDYBHTB-CABCVRRESA-N 0 1 299.336 3.767 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCO[C@H]2CCC[C@H]21 ZINC000430865710 1118779822 /nfs/dbraw/zinc/77/98/22/1118779822.db2.gz DHZZTNSTDYBHTB-CABCVRRESA-N 0 1 299.336 3.767 20 0 CHADMN CCCc1nc(C)c(CN[C@@H](c2cccnc2)C(C)C)o1 ZINC000426330444 1118781164 /nfs/dbraw/zinc/78/11/64/1118781164.db2.gz MELOSTZFHSJKHM-QGZVFWFLSA-N 0 1 287.407 3.817 20 0 CHADMN Cc1cccc2nc(-c3ccccc3-c3ccnn3C)[nH]c21 ZINC000430920505 1118787703 /nfs/dbraw/zinc/78/77/03/1118787703.db2.gz PKTNRUCYIAUGNA-UHFFFAOYSA-N 0 1 288.354 3.939 20 0 CHADMN CSc1cccc(C)c1NC(=O)c1ccc2cncn2c1 ZINC000341675057 1118792706 /nfs/dbraw/zinc/79/27/06/1118792706.db2.gz NABVEXAKAORHGR-UHFFFAOYSA-N 0 1 297.383 3.617 20 0 CHADMN CC[C@@H](N[C@H](C)CCc1ccc(F)cc1)C(F)F ZINC000449361130 1118795409 /nfs/dbraw/zinc/79/54/09/1118795409.db2.gz KOFJAOHLVVVCSJ-ZWNOBZJWSA-N 0 1 259.315 3.780 20 0 CHADMN Cc1c(C[N@@H+](Cc2cccc(C)c2C)C2CC2)cnn1C ZINC001204577208 1118797700 /nfs/dbraw/zinc/79/77/00/1118797700.db2.gz SZJFJSVGLSIHPQ-UHFFFAOYSA-N 0 1 283.419 3.510 20 0 CHADMN Cc1c(CN(Cc2cccc(C)c2C)C2CC2)cnn1C ZINC001204577208 1118797703 /nfs/dbraw/zinc/79/77/03/1118797703.db2.gz SZJFJSVGLSIHPQ-UHFFFAOYSA-N 0 1 283.419 3.510 20 0 CHADMN C[C@H](CN1C[C@H](C)O[C@H](C(F)(F)F)C1)CC(C)(C)C ZINC001167493488 1118799365 /nfs/dbraw/zinc/79/93/65/1118799365.db2.gz ZBHNCMLSBSYNER-SRVKXCTJSA-N 0 1 281.362 3.710 20 0 CHADMN C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@@H](C(F)(F)F)O1 ZINC001167493366 1118798527 /nfs/dbraw/zinc/79/85/27/1118798527.db2.gz YGBXCAHZJHDRDJ-YPMHNXCESA-N 0 1 279.346 3.608 20 0 CHADMN C[C@@H]1CN(CC2CCCCCC2)C[C@@H](C(F)(F)F)O1 ZINC001167493366 1118798529 /nfs/dbraw/zinc/79/85/29/1118798529.db2.gz YGBXCAHZJHDRDJ-YPMHNXCESA-N 0 1 279.346 3.608 20 0 CHADMN CC[C@H](NC1CCC(CSC)CC1)C(F)F ZINC000449366312 1118799141 /nfs/dbraw/zinc/79/91/41/1118799141.db2.gz YRQJLZAPOXHDEQ-ILDUYXDCSA-N 0 1 251.386 3.542 20 0 CHADMN C[C@@H](CCc1c(F)cccc1F)NCc1cscn1 ZINC000510730495 1118804071 /nfs/dbraw/zinc/80/40/71/1118804071.db2.gz COBUDBAGKMKCBN-JTQLQIEISA-N 0 1 282.359 3.532 20 0 CHADMN CC[C@](C)(NCc1cc(OC)ccn1)c1ccc(F)cc1 ZINC000639927273 1118807512 /nfs/dbraw/zinc/80/75/12/1118807512.db2.gz FEXLCIMCEXJYIK-KRWDZBQOSA-N 0 1 288.366 3.644 20 0 CHADMN C[C@@H]1CCCN(Cc2nc(C(C)(C)C)co2)[C@@H]1C ZINC000891863410 1118810701 /nfs/dbraw/zinc/81/07/01/1118810701.db2.gz XGPHMOREKHDCQJ-VXGBXAGGSA-N 0 1 250.386 3.593 20 0 CHADMN CCOc1ccc(CN2CCC(OC3CCCC3)CC2)o1 ZINC000891870030 1118815526 /nfs/dbraw/zinc/81/55/26/1118815526.db2.gz YBEVFXAMRBOVCU-UHFFFAOYSA-N 0 1 293.407 3.602 20 0 CHADMN O=C(Nc1ccc(F)c(Cl)c1)c1cccc2cn[nH]c21 ZINC000037150913 1118815841 /nfs/dbraw/zinc/81/58/41/1118815841.db2.gz FDWJZUJFSWTNGH-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN CC(C)(C)c1nc(CN2CCCSC[C@H]2C2CC2)co1 ZINC000933911499 1118841489 /nfs/dbraw/zinc/84/14/89/1118841489.db2.gz CIOVVPNHVXBAKQ-AWEZNQCLSA-N 0 1 294.464 3.690 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccnn1C1CCC1)c1ccccc1 ZINC000891915701 1118846720 /nfs/dbraw/zinc/84/67/20/1118846720.db2.gz KHRXMBXCFDSVOM-HNNXBMFYSA-N 0 1 283.419 3.844 20 0 CHADMN COCc1cccc(CNc2cc[nH+]c3c([O-])cccc23)c1 ZINC000684568778 1118851061 /nfs/dbraw/zinc/85/10/61/1118851061.db2.gz UEDPOVAPOLQYKQ-UHFFFAOYSA-N 0 1 294.354 3.699 20 0 CHADMN Cc1ccc(-c2ncc(CNCc3ccnc(C)c3)s2)o1 ZINC000449400883 1118853015 /nfs/dbraw/zinc/85/30/15/1118853015.db2.gz DQFGFHUEQRDTHP-UHFFFAOYSA-N 0 1 299.399 3.705 20 0 CHADMN [O-]c1cccc2c(N3CC[C@H](c4ccccc4)C3)cc[nH+]c12 ZINC000684571653 1118855946 /nfs/dbraw/zinc/85/59/46/1118855946.db2.gz NXYNSRCJCAEQAW-HNNXBMFYSA-N 0 1 290.366 3.934 20 0 CHADMN COc1cc(C)ccc1CNc1cc[nH+]c2c([O-])cccc12 ZINC000684576672 1118862113 /nfs/dbraw/zinc/86/21/13/1118862113.db2.gz SSBLXLFHOPEXNS-UHFFFAOYSA-N 0 1 294.354 3.870 20 0 CHADMN CCCCOCCNCc1c(Cl)oc2ccccc21 ZINC000133180762 1118862674 /nfs/dbraw/zinc/86/26/74/1118862674.db2.gz NVSPCLNPFQIKSN-UHFFFAOYSA-N 0 1 281.783 3.993 20 0 CHADMN COc1ccccc1CN[C@H]1CCc2cc(F)ccc21 ZINC000133388754 1118862959 /nfs/dbraw/zinc/86/29/59/1118862959.db2.gz RBBURFKGXSEIMK-INIZCTEOSA-N 0 1 271.335 3.611 20 0 CHADMN [O-]c1cccc2c(N3CCc4cc(F)ccc4C3)cc[nH+]c12 ZINC000684580751 1118867527 /nfs/dbraw/zinc/86/75/27/1118867527.db2.gz HROFTFIVZUGXTF-UHFFFAOYSA-N 0 1 294.329 3.642 20 0 CHADMN CSc1ccc(NCc2cn[nH]c2C)cc1Cl ZINC000129563679 1118868170 /nfs/dbraw/zinc/86/81/70/1118868170.db2.gz ODBNAIQDYOGALS-UHFFFAOYSA-N 0 1 267.785 3.706 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CC[C@H](C)[C@H](F)C1 ZINC000684579884 1118868192 /nfs/dbraw/zinc/86/81/92/1118868192.db2.gz ANKJSCMJEKAOQN-GXFFZTMASA-N 0 1 292.329 3.567 20 0 CHADMN CC[C@H](C)N(Cc1ccccc1)CN1CCSC1=S ZINC000077441928 1128810610 /nfs/dbraw/zinc/81/06/10/1128810610.db2.gz HCXHWUWDNPWGPB-ZDUSSCGKSA-N 0 1 294.489 3.578 20 0 CHADMN CCn1c2ccccc2nc1CN(C)CCc1ccccc1 ZINC000535782053 1118884987 /nfs/dbraw/zinc/88/49/87/1118884987.db2.gz IHGJNCVQGZKLMU-UHFFFAOYSA-N 0 1 293.414 3.731 20 0 CHADMN CN(Cc1ccc(F)cc1Br)C(C)(C)C ZINC000306659936 1118896905 /nfs/dbraw/zinc/89/69/05/1118896905.db2.gz MBPSFLNCVUKJKE-UHFFFAOYSA-N 0 1 274.177 3.819 20 0 CHADMN Cn1ccc(CN2CCCCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000535825599 1118901769 /nfs/dbraw/zinc/90/17/69/1118901769.db2.gz HWUUHXBCPLVBIO-YAINUAMHSA-N 0 1 295.430 3.878 20 0 CHADMN Cc1occc1CN[C@@H](c1cccnc1)C1CCC1 ZINC000684612826 1118902500 /nfs/dbraw/zinc/90/25/00/1118902500.db2.gz XRODTRLLBZVUHW-MRXNPFEDSA-N 0 1 256.349 3.614 20 0 CHADMN COC(C)(C)CN(C)Cc1cccc(Cl)c1Cl ZINC000535852177 1118906183 /nfs/dbraw/zinc/90/61/83/1118906183.db2.gz KICPECZRDQMSSW-UHFFFAOYSA-N 0 1 276.207 3.850 20 0 CHADMN CCCN(Cc1ccc(C)cc1)Cc1ccnc(C)n1 ZINC000684616528 1118906286 /nfs/dbraw/zinc/90/62/86/1118906286.db2.gz SVTGCSRJOMTXBU-UHFFFAOYSA-N 0 1 269.392 3.506 20 0 CHADMN C[NH2+]Cc1cccc(Nc2cc([O-])c(Cl)cc2F)c1F ZINC001216222735 1118907614 /nfs/dbraw/zinc/90/76/14/1118907614.db2.gz UIZUAKBXRYHHGQ-UHFFFAOYSA-N 0 1 298.720 3.787 20 0 CHADMN COc1cc(Nc2cccc(CN(C)C)c2F)ccc1C ZINC001216231116 1118913566 /nfs/dbraw/zinc/91/35/66/1118913566.db2.gz RZLWQQRLKCXLFC-UHFFFAOYSA-N 0 1 288.366 3.948 20 0 CHADMN CCCCN1C(=O)N=NC1SC[C@H](CC)CC(F)F ZINC000657233794 1118927277 /nfs/dbraw/zinc/92/72/77/1118927277.db2.gz FBNGZXGDCSJGTQ-SECBINFHSA-N 0 1 293.383 3.557 20 0 CHADMN COc1ccc([C@H](C)CSc2nc(C3CC3)n[nH]2)cc1 ZINC000657240643 1118930067 /nfs/dbraw/zinc/93/00/67/1118930067.db2.gz ISTHPTVQRMODEK-SNVBAGLBSA-N 0 1 289.404 3.587 20 0 CHADMN COc1ccc([C@H](C)CSc2n[nH]c(C3CC3)n2)cc1 ZINC000657240643 1118930069 /nfs/dbraw/zinc/93/00/69/1118930069.db2.gz ISTHPTVQRMODEK-SNVBAGLBSA-N 0 1 289.404 3.587 20 0 CHADMN Clc1n[nH]c(C2CC2)c1CN1CC[C@H](c2ccco2)C1 ZINC000892020221 1118939157 /nfs/dbraw/zinc/93/91/57/1118939157.db2.gz UDLQMCXCCYWLJW-NSHDSACASA-N 0 1 291.782 3.523 20 0 CHADMN Clc1cnc(CN[C@@H]2C[C@H]2C2CCCCC2)s1 ZINC000472047148 1118947798 /nfs/dbraw/zinc/94/77/98/1118947798.db2.gz DLTZGJOUSKORFS-WDEREUQCSA-N 0 1 270.829 3.855 20 0 CHADMN CN(Cc1ccco1)Cc1ccc(Br)cc1 ZINC000042205666 1118958930 /nfs/dbraw/zinc/95/89/30/1118958930.db2.gz UEQGMMWJELVVTM-UHFFFAOYSA-N 0 1 280.165 3.674 20 0 CHADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1nccn1C1CC1 ZINC000892084670 1118960724 /nfs/dbraw/zinc/96/07/24/1118960724.db2.gz BDKMRKVJOHIPNN-UKRRQHHQSA-N 0 1 299.393 3.735 20 0 CHADMN Fc1c(CNCc2cccs2)cccc1OC1CC1 ZINC000657289364 1118960766 /nfs/dbraw/zinc/96/07/66/1118960766.db2.gz PRFDWCNCKBYHER-UHFFFAOYSA-N 0 1 277.364 3.718 20 0 CHADMN COCc1csc(CN[C@@H](C)c2ccc(C)o2)c1 ZINC000657291988 1118961569 /nfs/dbraw/zinc/96/15/69/1118961569.db2.gz FHTXRBRPSAOFRK-NSHDSACASA-N 0 1 265.378 3.647 20 0 CHADMN Cn1ncc(C2CC2)c1CN[C@H]1CCSc2ccccc21 ZINC000657292038 1118961530 /nfs/dbraw/zinc/96/15/30/1118961530.db2.gz FUSWLBVPVRAAKP-HNNXBMFYSA-N 0 1 299.443 3.624 20 0 CHADMN CCc1ccc(CNCc2cccc3cc[nH]c32)o1 ZINC000342283231 1118966795 /nfs/dbraw/zinc/96/67/95/1118966795.db2.gz PYWJORQGMMYTPN-UHFFFAOYSA-N 0 1 254.333 3.613 20 0 CHADMN Cc1cccc(CNCc2cccc(OC3CC3)c2F)c1 ZINC000657297302 1118967708 /nfs/dbraw/zinc/96/77/08/1118967708.db2.gz HJNHWXMIXMPXMN-UHFFFAOYSA-N 0 1 285.362 3.965 20 0 CHADMN OCC[C@@H](NCc1ccsc1)c1ccc(Cl)cc1 ZINC000342291308 1118968308 /nfs/dbraw/zinc/96/83/08/1118968308.db2.gz YCQINDVLQULSDO-CQSZACIVSA-N 0 1 281.808 3.615 20 0 CHADMN CCOc1ncccc1CNCc1cc2ccc(C)cc2[nH]1 ZINC000657306606 1118978077 /nfs/dbraw/zinc/97/80/77/1118978077.db2.gz OULIEXRIZVUYOO-UHFFFAOYSA-N 0 1 295.386 3.560 20 0 CHADMN C[C@H](CNCc1nc(C(C)(C)C)co1)c1ccccc1 ZINC000724393335 1118986636 /nfs/dbraw/zinc/98/66/36/1118986636.db2.gz CGTXMSHXIIWSFP-CYBMUJFWSA-N 0 1 272.392 3.865 20 0 CHADMN C[C@H]1CC[C@H](NCc2nc(C(C)(C)C)co2)CC1 ZINC000724418199 1118998040 /nfs/dbraw/zinc/99/80/40/1118998040.db2.gz AJXNMPUSHDCQQV-HAQNSBGRSA-N 0 1 250.386 3.640 20 0 CHADMN Cc1ncc(CN(Cc2cccc(F)c2)C(C)C)o1 ZINC000628134868 1128814568 /nfs/dbraw/zinc/81/45/68/1128814568.db2.gz FTUCPZIZTIDASQ-UHFFFAOYSA-N 0 1 262.328 3.533 20 0 CHADMN C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCCCCC(=O)[O-] ZINC000582067915 1118999854 /nfs/dbraw/zinc/99/98/54/1118999854.db2.gz PNNLKCJTNAWYEV-STQMWFEESA-N 0 1 293.382 3.778 20 0 CHADMN C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCCCCC(=O)[O-] ZINC000582067913 1118999995 /nfs/dbraw/zinc/99/99/95/1118999995.db2.gz PNNLKCJTNAWYEV-OLZOCXBDSA-N 0 1 293.382 3.778 20 0 CHADMN Cc1ccc(F)cc1CN(C)[C@H](C)c1cccnc1 ZINC000183726324 1119000795 /nfs/dbraw/zinc/00/07/95/1119000795.db2.gz UTFXSKIPHAONEQ-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN [O-]c1ccc(Cl)cc1C[NH2+]C1(c2ccccc2)CC1 ZINC000068979904 1128815019 /nfs/dbraw/zinc/81/50/19/1128815019.db2.gz XQVIWSRLNXCKEB-UHFFFAOYSA-N 0 1 273.763 3.825 20 0 CHADMN Cc1nc(C)c(CN[C@H](c2ncccc2C)C(C)(C)C)[nH]1 ZINC000934287407 1119009439 /nfs/dbraw/zinc/00/94/39/1119009439.db2.gz KRNUZFXEWRRINL-MRXNPFEDSA-N 0 1 286.423 3.607 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2ccnn2CC2CC2)c1 ZINC000657336638 1119009494 /nfs/dbraw/zinc/00/94/94/1119009494.db2.gz WBHDFOCAYVNUEJ-CQSZACIVSA-N 0 1 299.418 3.543 20 0 CHADMN Cc1c[nH]c(CN2CCCC[C@H]2CCc2ccccc2)n1 ZINC000628171816 1128820402 /nfs/dbraw/zinc/82/04/02/1128820402.db2.gz NOLOTOGVFSKZTD-KRWDZBQOSA-N 0 1 283.419 3.705 20 0 CHADMN CCOCc1ccccc1CNCc1ccc(F)cc1F ZINC000037500945 1119020606 /nfs/dbraw/zinc/02/06/06/1119020606.db2.gz IEQIQDSAMSXVHQ-UHFFFAOYSA-N 0 1 291.341 3.791 20 0 CHADMN CC1=CC[C@@H](CC[N@H+]2CCc3ncccc3C2)C1(C)C ZINC001207281139 1119029808 /nfs/dbraw/zinc/02/98/08/1119029808.db2.gz WHSSOGOTDQSYTE-INIZCTEOSA-N 0 1 270.420 3.822 20 0 CHADMN Cc1cc(C[N@H+](C)[C@H]2CCCc3ccccc32)oc1C(=O)[O-] ZINC000582186751 1119031964 /nfs/dbraw/zinc/03/19/64/1119031964.db2.gz OWJMGBROIOEKTA-INIZCTEOSA-N 0 1 299.370 3.796 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cc2c(cccc2C)[nH]1 ZINC000657365753 1119032459 /nfs/dbraw/zinc/03/24/59/1119032459.db2.gz GJIFDXIXLXJOLO-LLVKDONJSA-N 0 1 283.375 3.932 20 0 CHADMN CC[C@H](N[C@H](C)c1ccccn1)c1cccc(OC)c1 ZINC000152334233 1119038493 /nfs/dbraw/zinc/03/84/93/1119038493.db2.gz MRHHIXVWZDLJOW-CJNGLKHVSA-N 0 1 270.376 3.892 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H](C)c1cnn(C)c1 ZINC000044497860 1119057235 /nfs/dbraw/zinc/05/72/35/1119057235.db2.gz FFZHMWUPKQQLRU-DOMZBBRYSA-N 0 1 287.407 3.686 20 0 CHADMN CCOc1ccc(Cl)cc1[C@@H](C)NCc1ccn(C)c1 ZINC000158498951 1119064932 /nfs/dbraw/zinc/06/49/32/1119064932.db2.gz DNFMEXXPQCRIJS-GFCCVEGCSA-N 0 1 292.810 3.928 20 0 CHADMN CCN(Cc1cc(C(=O)OC)ccc1Cl)C1CCC1 ZINC000511110728 1119067580 /nfs/dbraw/zinc/06/75/80/1119067580.db2.gz NBEQEKQCDDEYSR-UHFFFAOYSA-N 0 1 281.783 3.501 20 0 CHADMN O=C(C[C@H]1C=CCC1)Nc1ccccc1Nc1ccncc1 ZINC000684851244 1119068864 /nfs/dbraw/zinc/06/88/64/1119068864.db2.gz RYNHDALEAYHBQR-AWEZNQCLSA-N 0 1 293.370 3.542 20 0 CHADMN Cc1ncsc1-c1ccc(CN[C@H](C)c2cn[nH]c2)cc1 ZINC000657418804 1119072029 /nfs/dbraw/zinc/07/20/29/1119072029.db2.gz LAMLYGHDTPBRBD-LLVKDONJSA-N 0 1 298.415 3.692 20 0 CHADMN CSc1cccc(NC(=O)c2cccc3cn[nH]c32)c1C ZINC000342539240 1119074123 /nfs/dbraw/zinc/07/41/23/1119074123.db2.gz OLVKOOKCBFYLSL-UHFFFAOYSA-N 0 1 297.383 3.846 20 0 CHADMN C[C@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000158270768 1119074538 /nfs/dbraw/zinc/07/45/38/1119074538.db2.gz HMGILKKDYOGOIN-LBPRGKRZSA-N 0 1 274.339 3.855 20 0 CHADMN C[C@H]1CCCCN1Cc1ncc(-c2ccccc2F)o1 ZINC000158270768 1119074540 /nfs/dbraw/zinc/07/45/40/1119074540.db2.gz HMGILKKDYOGOIN-LBPRGKRZSA-N 0 1 274.339 3.855 20 0 CHADMN CC[C@@H]1C[C@H](N[C@H](c2cccc(C)c2)c2ccccn2)CO1 ZINC000657423117 1119074968 /nfs/dbraw/zinc/07/49/68/1119074968.db2.gz WSEHMLUATYEWGP-YQVWRLOYSA-N 0 1 296.414 3.637 20 0 CHADMN COCC[C@H](NCc1cc2c(cccc2C)[nH]1)c1ccco1 ZINC000657430625 1119083543 /nfs/dbraw/zinc/08/35/43/1119083543.db2.gz SQWVNSYZPBXSDQ-KRWDZBQOSA-N 0 1 298.386 3.937 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000226147544 1119084606 /nfs/dbraw/zinc/08/46/06/1119084606.db2.gz WZLJGYKHTKDOIZ-RHSMWYFYSA-N 0 1 287.403 3.848 20 0 CHADMN Cc1ccc(Nc2ccnc(CO)c2)c(Cl)c1Cl ZINC001216439943 1119096379 /nfs/dbraw/zinc/09/63/79/1119096379.db2.gz KBTPNNWXXLIBPU-UHFFFAOYSA-N 0 1 283.158 3.933 20 0 CHADMN COc1ccc(F)cc1CNCc1ccc(F)c(C)c1 ZINC000237172992 1119105623 /nfs/dbraw/zinc/10/56/23/1119105623.db2.gz YTFNJPPONMAZDW-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN Cn1nc(C2CC2)cc1Nc1ccnc(C(C)(C)C)c1 ZINC001213160698 1119111817 /nfs/dbraw/zinc/11/18/17/1119111817.db2.gz GEQFLBAPJMCPIV-UHFFFAOYSA-N 0 1 270.380 3.734 20 0 CHADMN CC1(C)CCC[C@@H](NCc2nccc(C(F)F)n2)CC1 ZINC000657467298 1119113324 /nfs/dbraw/zinc/11/33/24/1119113324.db2.gz ZBFRYJKEXIHEHI-LLVKDONJSA-N 0 1 283.366 3.863 20 0 CHADMN CCOc1ccc(CNCc2occc2C)c(C)c1 ZINC000657472715 1119117334 /nfs/dbraw/zinc/11/73/34/1119117334.db2.gz YMTPZOGADRVQHK-UHFFFAOYSA-N 0 1 259.349 3.585 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2c2cc(C)ccc2C)[nH]c1C ZINC000628184929 1128823033 /nfs/dbraw/zinc/82/30/33/1128823033.db2.gz DKHFEDFDVMXDOQ-QGZVFWFLSA-N 0 1 283.419 3.980 20 0 CHADMN Cc1nc(CN2C[C@@H](c3ccc(F)cc3)C[C@H]2C)[nH]c1C ZINC000628181302 1128823156 /nfs/dbraw/zinc/82/31/56/1128823156.db2.gz XVLFPXIGMVJHAW-ABAIWWIYSA-N 0 1 287.382 3.544 20 0 CHADMN CCOc1ccc(CN[C@H]2COCc3ccccc32)c(C)c1 ZINC000657493862 1119130573 /nfs/dbraw/zinc/13/05/73/1119130573.db2.gz JYGCJMLTMQIQKM-IBGZPJMESA-N 0 1 297.398 3.755 20 0 CHADMN Cc1ccc([C@H](NCc2cnn(C)c2C)C2CCCC2)o1 ZINC000342705740 1119134386 /nfs/dbraw/zinc/13/43/86/1119134386.db2.gz PLRNZWGHBZGCBJ-QGZVFWFLSA-N 0 1 287.407 3.651 20 0 CHADMN CC(C)(C)c1cc(Nc2c(F)cnc(F)c2F)ccn1 ZINC001213162507 1119137645 /nfs/dbraw/zinc/13/76/45/1119137645.db2.gz DQANSXSVZCOTLI-UHFFFAOYSA-N 0 1 281.281 3.935 20 0 CHADMN COc1cc(C)cc(CN[C@H]2CCCc3cccnc32)c1 ZINC000684959969 1119143730 /nfs/dbraw/zinc/14/37/30/1119143730.db2.gz JFCVDAPACHPIRS-KRWDZBQOSA-N 0 1 282.387 3.566 20 0 CHADMN CC(C)(NC/C=C/c1ccccc1)c1nccs1 ZINC000116381340 1119150044 /nfs/dbraw/zinc/15/00/44/1119150044.db2.gz SUUOQAMHNNDOAV-RMKNXTFCSA-N 0 1 258.390 3.681 20 0 CHADMN CN(C)Cc1ccc(CNc2nccc3occc32)cc1F ZINC000342770706 1119160507 /nfs/dbraw/zinc/16/05/07/1119160507.db2.gz ZCJKBDTTYJBJAN-UHFFFAOYSA-N 0 1 299.349 3.641 20 0 CHADMN CCC[C@H](C)[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000075703547 1119179632 /nfs/dbraw/zinc/17/96/32/1119179632.db2.gz OZOBAMSNPYBQDV-HNNXBMFYSA-N 0 1 271.408 3.552 20 0 CHADMN CCC[C@H](C)N(C)Cc1nccn1Cc1ccccc1 ZINC000075703547 1119179635 /nfs/dbraw/zinc/17/96/35/1119179635.db2.gz OZOBAMSNPYBQDV-HNNXBMFYSA-N 0 1 271.408 3.552 20 0 CHADMN Cc1ccc(-c2nnc(CN3CCC(C(C)C)CC3)o2)cc1 ZINC000075833828 1119182119 /nfs/dbraw/zinc/18/21/19/1119182119.db2.gz IIMFTHMCVXFRTC-UHFFFAOYSA-N 0 1 299.418 3.913 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1C[C@H](C)[C@@H](C)C1 ZINC000076111975 1119182368 /nfs/dbraw/zinc/18/23/68/1119182368.db2.gz KXKIOKZZFNBFTJ-GJZGRUSLSA-N 0 1 288.435 3.645 20 0 CHADMN Cc1ccc(-c2nc(CN3C[C@H](C)[C@@H](C)C3)cs2)o1 ZINC000076110775 1119182485 /nfs/dbraw/zinc/18/24/85/1119182485.db2.gz DQKVHSKCWPAUNZ-QWRGUYRKSA-N 0 1 276.405 3.799 20 0 CHADMN C[C@@H](Cc1cccs1)N(C)Cc1noc2c1CCCC2 ZINC001167608093 1119187804 /nfs/dbraw/zinc/18/78/04/1119187804.db2.gz JGOKTVJNIFLMQL-LBPRGKRZSA-N 0 1 290.432 3.678 20 0 CHADMN C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N(C)CC1CC1 ZINC000077194451 1119190272 /nfs/dbraw/zinc/19/02/72/1119190272.db2.gz XEWWFJDVEZESAC-JTQLQIEISA-N 0 1 291.782 3.793 20 0 CHADMN Cc1cccc(C)c1NC(=O)CNC1(c2ccccc2)CC1 ZINC000077378455 1119192400 /nfs/dbraw/zinc/19/24/00/1119192400.db2.gz QCVMQRAXFMLMQR-UHFFFAOYSA-N 0 1 294.398 3.521 20 0 CHADMN Cc1nc(C)c(CNCCOc2cccc3ccccc32)o1 ZINC000628206028 1128828063 /nfs/dbraw/zinc/82/80/63/1128828063.db2.gz NLZIRKRRLQDQKL-UHFFFAOYSA-N 0 1 296.370 3.613 20 0 CHADMN c1cc(Oc2ccccc2)oc1CN1CCC[C@]12CCOC2 ZINC000342841417 1119205025 /nfs/dbraw/zinc/20/50/25/1119205025.db2.gz PSTUZKAYQZPZRW-GOSISDBHSA-N 0 1 299.370 3.827 20 0 CHADMN Cc1nc(C)c(CNCc2cc(C)cc3c(C)c(C)[nH]c32)o1 ZINC000628214158 1128828968 /nfs/dbraw/zinc/82/89/68/1128828968.db2.gz MPPVVNNAULYTGE-UHFFFAOYSA-N 0 1 297.402 3.988 20 0 CHADMN CCn1nccc1CN[C@H](c1ccccc1F)C(C)C ZINC000657614340 1119208934 /nfs/dbraw/zinc/20/89/34/1119208934.db2.gz BCZVSBUIKIFECB-INIZCTEOSA-N 0 1 275.371 3.529 20 0 CHADMN Oc1ccc([C@@H]2CCCN2Cc2cnc(C3CC3)o2)cc1 ZINC000628154270 1119209054 /nfs/dbraw/zinc/20/90/54/1119209054.db2.gz SFSLSDIPKWYQMJ-INIZCTEOSA-N 0 1 284.359 3.595 20 0 CHADMN CCn1nccc1CN[C@@H](c1ccccc1F)C(C)C ZINC000657614341 1119209416 /nfs/dbraw/zinc/20/94/16/1119209416.db2.gz BCZVSBUIKIFECB-MRXNPFEDSA-N 0 1 275.371 3.529 20 0 CHADMN FC1(F)C[C@@H]1OCCNCc1cc(Cl)ccc1Cl ZINC000657618508 1119210043 /nfs/dbraw/zinc/21/00/43/1119210043.db2.gz GIANKIBYMUVIOG-NSHDSACASA-N 0 1 296.144 3.507 20 0 CHADMN CCN(Cc1ccnc(OC)c1)[C@H](C)c1ccc(F)cc1 ZINC000342857191 1119211654 /nfs/dbraw/zinc/21/16/54/1119211654.db2.gz JSIDFIIDIUQSEE-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN CC(C)[C@H]1CC[N@H+]1Cc1c(C2CC2)nc2sccn12 ZINC000342863491 1119217255 /nfs/dbraw/zinc/21/72/55/1119217255.db2.gz XOZUGLNTUREQFG-GFCCVEGCSA-N 0 1 275.421 3.504 20 0 CHADMN CC(C)[C@H]1CCN1Cc1c(C2CC2)nc2sccn12 ZINC000342863491 1119217258 /nfs/dbraw/zinc/21/72/58/1119217258.db2.gz XOZUGLNTUREQFG-GFCCVEGCSA-N 0 1 275.421 3.504 20 0 CHADMN Cc1cnc(Nc2ccnc(C(C)(C)C)c2)c(F)c1 ZINC001213164450 1119220504 /nfs/dbraw/zinc/22/05/04/1119220504.db2.gz QJCFWQDPGDESKU-UHFFFAOYSA-N 0 1 259.328 3.965 20 0 CHADMN CCN(Cc1ccoc1)[C@H](C)c1cccc(OC)c1 ZINC000079756561 1119228627 /nfs/dbraw/zinc/22/86/27/1119228627.db2.gz YTWJKADZUVFHGY-CYBMUJFWSA-N 0 1 259.349 3.871 20 0 CHADMN Fc1cc(-c2ccccc2)ccc1CN1CCCOCC1 ZINC000507813554 1119230051 /nfs/dbraw/zinc/23/00/51/1119230051.db2.gz JXELCHFIIAJJBN-UHFFFAOYSA-N 0 1 285.362 3.715 20 0 CHADMN C[C@@H](N[C@H](c1nccn1C)C1CC1)c1ccc(Cl)cc1 ZINC000353040390 1119237721 /nfs/dbraw/zinc/23/77/21/1119237721.db2.gz UDFLKJQYBGAPDI-ABAIWWIYSA-N 0 1 289.810 3.875 20 0 CHADMN Cc1cnc([C@@H](C)NCCc2cccc(C(F)(F)F)c2)o1 ZINC000628235298 1128831908 /nfs/dbraw/zinc/83/19/08/1128831908.db2.gz HTEPJQDUJARTNI-LLVKDONJSA-N 0 1 298.308 3.895 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C=Cc3cccs3)ccc12 ZINC000255559750 1119266934 /nfs/dbraw/zinc/26/69/34/1119266934.db2.gz VJGBZAAECSAXHI-ALCCZGGFSA-N 0 1 283.356 3.585 20 0 CHADMN Cc1c[nH]c(CN2CC[C@@](C)(CCc3ccccc3)C2)n1 ZINC000628186203 1119269272 /nfs/dbraw/zinc/26/92/72/1119269272.db2.gz BQMJLJMZZBHSJR-GOSISDBHSA-N 0 1 283.419 3.563 20 0 CHADMN COc1cccc([C@@H](C)N[C@H]2CCCc3cccnc32)c1 ZINC000091661124 1119278552 /nfs/dbraw/zinc/27/85/52/1119278552.db2.gz IYRLQVDPWMKGOV-DYVFJYSZSA-N 0 1 282.387 3.818 20 0 CHADMN CCCCN(CC)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000050812307 1119279045 /nfs/dbraw/zinc/27/90/45/1119279045.db2.gz RKAATWUALNZEEX-UHFFFAOYSA-N 0 1 292.452 3.512 20 0 CHADMN CC(C)[C@H](CC(F)(F)F)NCc1cnc(C2CC2)o1 ZINC000628244871 1128834744 /nfs/dbraw/zinc/83/47/44/1128834744.db2.gz YKPKBNCGDNPTDJ-NSHDSACASA-N 0 1 276.302 3.619 20 0 CHADMN Cc1ccc(NC(=O)CN2C[C@@H](C)CCC[C@@H]2C)c(F)c1 ZINC000525638154 1119295172 /nfs/dbraw/zinc/29/51/72/1119295172.db2.gz VDAZPCXBHWTPQP-KBPBESRZSA-N 0 1 292.398 3.583 20 0 CHADMN c1[nH]nnc1CCSc1ccc(-c2ccccc2)cc1 ZINC000583122010 1119295224 /nfs/dbraw/zinc/29/52/24/1119295224.db2.gz GFBDHDCBACPWNV-UHFFFAOYSA-N 0 1 281.384 3.807 20 0 CHADMN CC[C@H](C)[C@H](NC(=O)C=CC1CC1)c1nc2ccccc2[nH]1 ZINC000079618184 1119296790 /nfs/dbraw/zinc/29/67/90/1119296790.db2.gz VIPMUWHESQPGBC-DQPOXKCSSA-N 0 1 297.402 3.733 20 0 CHADMN CCc1nc2c(s1)[C@@H](NCc1cnc(C)s1)CCC2 ZINC000123704951 1119301163 /nfs/dbraw/zinc/30/11/63/1119301163.db2.gz FVBPBTNVXLFASP-NSHDSACASA-N 0 1 293.461 3.638 20 0 CHADMN CC(C)c1cnc(CNC[C@@H]2C(C)(C)C2(F)F)s1 ZINC000657736883 1119305493 /nfs/dbraw/zinc/30/54/93/1119305493.db2.gz GNNHXLOUUVDNOI-SNVBAGLBSA-N 0 1 274.380 3.647 20 0 CHADMN c1nc(C2CC2)oc1CNC[C@@H]1CCC2(CCCCC2)O1 ZINC000628251897 1128836421 /nfs/dbraw/zinc/83/64/21/1128836421.db2.gz ZQIODGBEMBEUNI-AWEZNQCLSA-N 0 1 290.407 3.524 20 0 CHADMN CC(C)(C)c1cnc(CNC[C@H]2C(C)(C)C2(F)F)s1 ZINC000657740012 1119312187 /nfs/dbraw/zinc/31/21/87/1119312187.db2.gz YQNJXMXVCLTUOB-VIFPVBQESA-N 0 1 288.407 3.822 20 0 CHADMN C[C@H]1CCN(Cc2cc(Cl)ccc2Br)C1 ZINC000307511015 1119318651 /nfs/dbraw/zinc/31/86/51/1119318651.db2.gz BYYHMYUATCGQKJ-VIFPVBQESA-N 0 1 288.616 3.944 20 0 CHADMN COc1cccc([C@@H](C)N[C@@H](C)c2c(C)noc2C)c1 ZINC000092326772 1119326622 /nfs/dbraw/zinc/32/66/22/1119326622.db2.gz IMDOEGCEVOBGJA-MNOVXSKESA-N 0 1 274.364 3.712 20 0 CHADMN F[C@]1(c2ccccc2)CC[N@@H+](CCCC2CCOCC2)C1 ZINC000583275452 1119332016 /nfs/dbraw/zinc/33/20/16/1119332016.db2.gz GKNBOWDIHRHGPD-GOSISDBHSA-N 0 1 291.410 3.764 20 0 CHADMN CC(C)C[C@H](NCc1cccc2c1OCO2)c1ccncc1 ZINC000647284022 1119334407 /nfs/dbraw/zinc/33/44/07/1119334407.db2.gz YHRNHDJRXOCSEE-INIZCTEOSA-N 0 1 298.386 3.687 20 0 CHADMN c1cc2ncnc(NCc3ccc(C4CC4)cc3)c2s1 ZINC000343204469 1119349187 /nfs/dbraw/zinc/34/91/87/1119349187.db2.gz KDXVCBXLXSDBBJ-UHFFFAOYSA-N 0 1 281.384 3.603 20 0 CHADMN C[C@H]1CCCC[C@@H]1NCC(F)(F)c1ccccc1 ZINC000227898555 1119350940 /nfs/dbraw/zinc/35/09/40/1119350940.db2.gz ZJEAPVKPVZNEDG-JSGCOSHPSA-N 0 1 253.336 3.947 20 0 CHADMN CCOc1cc(C[N@@H+](CC)Cc2ccoc2)ccc1OC ZINC000092935859 1119351681 /nfs/dbraw/zinc/35/16/81/1119351681.db2.gz MTSGWBASDTWCFY-UHFFFAOYSA-N 0 1 289.375 3.709 20 0 CHADMN CCOc1cc(CN(CC)Cc2ccoc2)ccc1OC ZINC000092935859 1119351683 /nfs/dbraw/zinc/35/16/83/1119351683.db2.gz MTSGWBASDTWCFY-UHFFFAOYSA-N 0 1 289.375 3.709 20 0 CHADMN O=C(N[C@H](c1cccs1)C1CC1)c1n[nH]c2ccccc21 ZINC000635015807 1119369901 /nfs/dbraw/zinc/36/99/01/1119369901.db2.gz RZHBRZYUDAOBNH-AWEZNQCLSA-N 0 1 297.383 3.506 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1noc(-c2ccccc2C)n1 ZINC000661232640 1119399962 /nfs/dbraw/zinc/39/99/62/1119399962.db2.gz KIEQBLQDFNTOJA-CYBMUJFWSA-N 0 1 287.407 3.959 20 0 CHADMN CCSCCN[C@@H](c1ccco1)c1ccc(OC)cc1 ZINC000449771388 1119401743 /nfs/dbraw/zinc/40/17/43/1119401743.db2.gz GSMKGKKDFVSIQO-MRXNPFEDSA-N 0 1 291.416 3.720 20 0 CHADMN C/C(=C/c1ccccc1)CN1CCOc2cc(O)ccc2C1 ZINC000583720614 1119402112 /nfs/dbraw/zinc/40/21/12/1119402112.db2.gz QBLMGBUUNMNAJW-PTNGSMBKSA-N 0 1 295.382 3.690 20 0 CHADMN CC(C)C[C@H]1OCCC[C@H]1NCc1cc(C(C)(C)C)on1 ZINC000583721697 1119402171 /nfs/dbraw/zinc/40/21/71/1119402171.db2.gz KOINMOMUDZEXAK-HUUCEWRRSA-N 0 1 294.439 3.655 20 0 CHADMN C[C@@H]1C[C@@H]1[C@@H](NCc1nccn1C)c1ccc(Cl)cc1 ZINC000343381682 1119405461 /nfs/dbraw/zinc/40/54/61/1119405461.db2.gz NUFATSUZIQVEJC-WPGHFRTFSA-N 0 1 289.810 3.560 20 0 CHADMN Cc1nc(CN[C@H]2CCCc3c(C)cccc32)[nH]c1C ZINC000657796716 1119416240 /nfs/dbraw/zinc/41/62/40/1119416240.db2.gz IGDVLQLBBXEIKT-INIZCTEOSA-N 0 1 269.392 3.502 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cnn3ccccc23)c1 ZINC000583851567 1119423950 /nfs/dbraw/zinc/42/39/50/1119423950.db2.gz RWCVYFZAHGIBIV-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN CC1(C)CCC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000583877465 1119428922 /nfs/dbraw/zinc/42/89/22/1119428922.db2.gz LHKLFNGRMNJFAU-AWEZNQCLSA-N 0 1 295.810 3.978 20 0 CHADMN CC(C)CC[C@@H]1CCCCN1Cc1nc(C2CC2)no1 ZINC000158128630 1119433803 /nfs/dbraw/zinc/43/38/03/1119433803.db2.gz UVYHIEUUEPJBME-AWEZNQCLSA-N 0 1 277.412 3.738 20 0 CHADMN CCc1ccc(CN[C@@H]2CCCOc3ccccc32)o1 ZINC000131825148 1119436993 /nfs/dbraw/zinc/43/69/93/1119436993.db2.gz HYDQZVRXZXXFCG-MRXNPFEDSA-N 0 1 271.360 3.846 20 0 CHADMN c1ccc2c(CNCc3cccc(C4CC4)c3)noc2c1 ZINC000583944749 1119437855 /nfs/dbraw/zinc/43/78/55/1119437855.db2.gz VRDOLHNFBJZKKW-UHFFFAOYSA-N 0 1 278.355 3.995 20 0 CHADMN COC(=O)c1cc(C[N@H+]2CCC[C@H](C(C)(C)C)C2)cs1 ZINC000708402891 1119438320 /nfs/dbraw/zinc/43/83/20/1119438320.db2.gz XLPOGXFNQZHVQP-ZDUSSCGKSA-N 0 1 295.448 3.793 20 0 CHADMN C[C@H]1CCC[C@H](N(C)Cc2cccnc2Cl)C1 ZINC000052709519 1119441158 /nfs/dbraw/zinc/44/11/58/1119441158.db2.gz YDUVDUXGFDIQRG-AAEUAGOBSA-N 0 1 252.789 3.746 20 0 CHADMN CCCCCc1ccc(NC(=O)Cc2cc(C)[nH]n2)cc1 ZINC000151253602 1119443263 /nfs/dbraw/zinc/44/32/63/1119443263.db2.gz CSSOPXUDBZITGX-UHFFFAOYSA-N 0 1 285.391 3.632 20 0 CHADMN c1sc(CN2CCC[C@H]3CCC[C@@H]32)nc1C1CC1 ZINC000343529119 1119443287 /nfs/dbraw/zinc/44/32/87/1119443287.db2.gz MAMLVZUOUZOXEX-OCCSQVGLSA-N 0 1 262.422 3.785 20 0 CHADMN CCOc1ccccc1CN[C@H]1CCc2ccc(OC)cc21 ZINC000132204509 1119444300 /nfs/dbraw/zinc/44/43/00/1119444300.db2.gz WOTPHLSEHYECFC-SFHVURJKSA-N 0 1 297.398 3.871 20 0 CHADMN C[C@H](O)[C@H](NCc1sccc1Cl)c1ccccc1 ZINC000657816673 1119452823 /nfs/dbraw/zinc/45/28/23/1119452823.db2.gz KKQXSDIJQQQODL-HZMBPMFUSA-N 0 1 281.808 3.613 20 0 CHADMN CC[C@@H](NCc1ccn(C)c1)c1cc(Cl)ccc1OC ZINC000158472889 1119453809 /nfs/dbraw/zinc/45/38/09/1119453809.db2.gz UEKRQPCHKUSOPU-OAHLLOKOSA-N 0 1 292.810 3.928 20 0 CHADMN Cn1ccc(CN[C@H]2CC(C)(C)Oc3cc(F)ccc32)c1 ZINC000158519142 1119456241 /nfs/dbraw/zinc/45/62/41/1119456241.db2.gz XQVKEZRKFWWIRA-HNNXBMFYSA-N 0 1 288.366 3.556 20 0 CHADMN Cc1nc(C)c(CN[C@H](C)c2ccc(Cl)s2)[nH]1 ZINC000724775551 1119458614 /nfs/dbraw/zinc/45/86/14/1119458614.db2.gz WLISZEKVPRVJPF-MRVPVSSYSA-N 0 1 269.801 3.592 20 0 CHADMN CCCCCC[C@@H](C)CC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161985182 1119458683 /nfs/dbraw/zinc/45/86/83/1119458683.db2.gz BCAZAHMBOFCGII-KGLIPLIRSA-N 0 1 293.455 3.762 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000343595323 1119466360 /nfs/dbraw/zinc/46/63/60/1119466360.db2.gz AIILJYPCUXBNHQ-WCQYABFASA-N 0 1 289.345 3.545 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccc(C(F)F)nc2)c1 ZINC000657824363 1119469520 /nfs/dbraw/zinc/46/95/20/1119469520.db2.gz HPPVLHSIWUGKRB-LLVKDONJSA-N 0 1 292.329 3.879 20 0 CHADMN C[C@@H](N[C@H]1CCCn2nccc21)c1cc2ccccc2o1 ZINC000657824048 1119470360 /nfs/dbraw/zinc/47/03/60/1119470360.db2.gz CIPXPZPOPYCQLV-OCCSQVGLSA-N 0 1 281.359 3.815 20 0 CHADMN Cc1nn(C(C)C)cc1CN1Cc2ccccc2C2(CC2)C1 ZINC000343616838 1119471889 /nfs/dbraw/zinc/47/18/89/1119471889.db2.gz KEXGGZNCFLKQAE-UHFFFAOYSA-N 0 1 295.430 3.820 20 0 CHADMN C[C@@H](N[C@H]1CCCn2nccc21)c1ccc(Cl)s1 ZINC000657829020 1119478940 /nfs/dbraw/zinc/47/89/40/1119478940.db2.gz XLNSZXNYIRCRQJ-ZJUUUORDSA-N 0 1 281.812 3.784 20 0 CHADMN Fc1ccc(CN[C@H]2CCCc3c4ccccc4[nH]c32)nc1 ZINC000343644889 1119479011 /nfs/dbraw/zinc/47/90/11/1119479011.db2.gz BJKBKWKBNHEPLB-KRWDZBQOSA-N 0 1 295.361 3.869 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccc(OC(C)C)cc2)c(C)n1 ZINC000134025048 1119479533 /nfs/dbraw/zinc/47/95/33/1119479533.db2.gz YFBHGECQCPOJBD-ZDUSSCGKSA-N 0 1 299.418 3.731 20 0 CHADMN CN(Cc1ccsc1C(F)(F)F)CC1=CCCOC1 ZINC000628339436 1128849275 /nfs/dbraw/zinc/84/92/75/1128849275.db2.gz OELJOYVDFHWPOX-UHFFFAOYSA-N 0 1 291.338 3.545 20 0 CHADMN c1cc(CNCc2cccc(-c3ccncc3)c2)co1 ZINC000343690706 1119487828 /nfs/dbraw/zinc/48/78/28/1119487828.db2.gz JJGILQPRNRGFMQ-UHFFFAOYSA-N 0 1 264.328 3.631 20 0 CHADMN Cc1ncc(CN2C[C@@H](C)C[C@H]2c2ccccc2F)o1 ZINC000628180173 1119490622 /nfs/dbraw/zinc/49/06/22/1119490622.db2.gz DWVPHRLMUTUZOJ-ZBEGNZNMSA-N 0 1 274.339 3.705 20 0 CHADMN COc1ccnc(CN[C@@H](C)c2cccc(C)c2C)c1 ZINC000343703755 1119491141 /nfs/dbraw/zinc/49/11/41/1119491141.db2.gz ZQOSPDHJGFZEHQ-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN COc1cncc(CN2CC=C(c3cccc(C)c3)CC2)c1 ZINC000343711255 1119492147 /nfs/dbraw/zinc/49/21/47/1119492147.db2.gz FOSWBPRHEBBRTJ-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1cc(F)c(F)c(F)c1 ZINC000584318848 1119498451 /nfs/dbraw/zinc/49/84/51/1119498451.db2.gz DNUQJFSRKUUNFZ-ONGXEEELSA-N 0 1 257.299 3.867 20 0 CHADMN CCOc1ccc([C@H](C)N[C@@H](C)c2nccnc2C)cc1 ZINC000219088450 1119499947 /nfs/dbraw/zinc/49/99/47/1119499947.db2.gz ZRLYYNCDPZUVQA-JSGCOSHPSA-N 0 1 285.391 3.596 20 0 CHADMN CCOC[C@@H]1CCN(Cc2csc(C(F)(F)F)c2)C1 ZINC000628187587 1119501049 /nfs/dbraw/zinc/50/10/49/1119501049.db2.gz UOKKJQHKVMPRJI-SNVBAGLBSA-N 0 1 293.354 3.625 20 0 CHADMN Cc1noc([C@H](N[C@@H](C)Cc2ccc(C)cc2)C(C)C)n1 ZINC000167946606 1119501385 /nfs/dbraw/zinc/50/13/85/1119501385.db2.gz NSFSGRKCQWUJQP-XJKSGUPXSA-N 0 1 287.407 3.604 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1cc2ccncc2s1 ZINC000657851734 1119513705 /nfs/dbraw/zinc/51/37/05/1119513705.db2.gz QKDUVGMCFBQVCO-SNVBAGLBSA-N 0 1 287.388 3.752 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@@H](C3CCCCC3)C2)n1 ZINC000628352605 1128851048 /nfs/dbraw/zinc/85/10/48/1128851048.db2.gz OFXGLLBROHQBMD-OAHLLOKOSA-N 0 1 261.413 3.510 20 0 CHADMN CC[C@@H]1CCC[C@H](C[NH2+]C(C)(C)c2nc(C)cc(=O)[n-]2)C1 ZINC000628375068 1128851752 /nfs/dbraw/zinc/85/17/52/1128851752.db2.gz XRYMURKQGBOVPQ-KGLIPLIRSA-N 0 1 291.439 3.532 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NC1(c2ccccc2F)CCC1 ZINC000647332923 1119525176 /nfs/dbraw/zinc/52/51/76/1119525176.db2.gz HWRUCFIRYYGFPX-LLVKDONJSA-N 0 1 273.355 3.587 20 0 CHADMN Cc1csc(CN2CC[C@@H](c3ccccc3F)C2)n1 ZINC000088598651 1119537296 /nfs/dbraw/zinc/53/72/96/1119537296.db2.gz AJKMXRRFGSDMPX-GFCCVEGCSA-N 0 1 276.380 3.580 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2C[C@H]1C)c1ccc(F)cn1 ZINC000089613916 1119539709 /nfs/dbraw/zinc/53/97/09/1119539709.db2.gz BGFKTHRNVNLDLT-PEBVRCNWSA-N 0 1 270.351 3.805 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccccc1N(C)C)CO2 ZINC000090452198 1119544160 /nfs/dbraw/zinc/54/41/60/1119544160.db2.gz RRLLYMQYUSYYHR-YOEHRIQHSA-N 0 1 296.414 3.845 20 0 CHADMN COc1cccc([C@H](C)N[C@H]2COc3ccc(C)cc32)c1 ZINC000090452422 1119544687 /nfs/dbraw/zinc/54/46/87/1119544687.db2.gz CLYSQTZKZHIUCY-GUYCJALGSA-N 0 1 283.371 3.788 20 0 CHADMN Cc1c(CN[C@H](C)c2cc(Cl)cc(Cl)c2)cnn1C ZINC000090887945 1119546716 /nfs/dbraw/zinc/54/67/16/1119546716.db2.gz ASJIQXYXBTYZKC-SECBINFHSA-N 0 1 298.217 3.886 20 0 CHADMN C[C@@H]1CN(Cc2cnc(C3CC3)s2)C[C@H](C)C1(F)F ZINC000628390490 1128853600 /nfs/dbraw/zinc/85/36/00/1128853600.db2.gz IZAVWHBPBACFNN-AOOOYVTPSA-N 0 1 286.391 3.744 20 0 CHADMN C[C@@H]1CCCN(Cc2cccnc2Br)C[C@@H]1C ZINC001137793481 1128853698 /nfs/dbraw/zinc/85/36/98/1128853698.db2.gz QTFCLYCAVTUWNV-NEPJUHHUSA-N 0 1 297.240 3.712 20 0 CHADMN CCOc1ccccc1CN[C@@H](c1cccnc1)C(C)C ZINC000091305205 1119555018 /nfs/dbraw/zinc/55/50/18/1119555018.db2.gz RWNWSKVGMOQEGH-GOSISDBHSA-N 0 1 284.403 3.967 20 0 CHADMN Oc1ccc2c(c1)CN(C[C@H]1C[C@H]1c1ccccc1)C2 ZINC000628419467 1128857649 /nfs/dbraw/zinc/85/76/49/1128857649.db2.gz ZLYJSHZLAHVWRT-AEFFLSMTSA-N 0 1 265.356 3.512 20 0 CHADMN COc1cc(C)ccc1CN[C@H](c1cccnc1)C(C)C ZINC000091370254 1119556117 /nfs/dbraw/zinc/55/61/17/1119556117.db2.gz OCHYFGSHJGRPHN-SFHVURJKSA-N 0 1 284.403 3.886 20 0 CHADMN CC(C)[C@H](NCc1ncccc1F)c1ccccc1 ZINC000091402833 1119556294 /nfs/dbraw/zinc/55/62/94/1119556294.db2.gz HFHMYAYQIGVZAX-INIZCTEOSA-N 0 1 258.340 3.708 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccccc1)c1cc(C)ccc1OC ZINC000091725472 1119558446 /nfs/dbraw/zinc/55/84/46/1119558446.db2.gz ZKZAEDXQJRVMJD-QZTJIDSGSA-N 0 1 299.414 3.778 20 0 CHADMN CC(C)c1ccc([C@H]2CCCCN2Cc2cnnn2C)cc1 ZINC000092102461 1119561994 /nfs/dbraw/zinc/56/19/94/1119561994.db2.gz KOBLXOKUWJZMGM-GOSISDBHSA-N 0 1 298.434 3.666 20 0 CHADMN CC(C)n1ncc2cc(CN3CC[C@H](C)C3)c(Cl)nc21 ZINC000092471266 1119562924 /nfs/dbraw/zinc/56/29/24/1119562924.db2.gz JZQLKBZPQQQMNS-NSHDSACASA-N 0 1 292.814 3.507 20 0 CHADMN C[C@@H](N[C@@H]1CCc2c1cccc2F)c1ccc(F)cn1 ZINC000092742120 1119564934 /nfs/dbraw/zinc/56/49/34/1119564934.db2.gz ISFYSJGVWBBEDJ-QLJPJBMISA-N 0 1 274.314 3.698 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)nc1 ZINC000093115953 1119569798 /nfs/dbraw/zinc/56/97/98/1119569798.db2.gz GGHCTBCOUALEIK-QGZVFWFLSA-N 0 1 270.351 3.696 20 0 CHADMN Cc1ccc(CN[C@@H](CO)c2ccc(Cl)cc2)cc1F ZINC000093113750 1119569858 /nfs/dbraw/zinc/56/98/58/1119569858.db2.gz MWFUTRGSMNPAIM-INIZCTEOSA-N 0 1 293.769 3.611 20 0 CHADMN COCc1ccc(CN2C[C@@H](C)[C@H]2c2ccccc2)o1 ZINC000093867416 1119572761 /nfs/dbraw/zinc/57/27/61/1119572761.db2.gz RJUYZYVKLGGYGO-DYVFJYSZSA-N 0 1 271.360 3.619 20 0 CHADMN Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3C(C)C)o2)cc1 ZINC000140532730 1119579000 /nfs/dbraw/zinc/57/90/00/1119579000.db2.gz OLUPVFNQWNOPQA-HNNXBMFYSA-N 0 1 285.391 3.665 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H]1C(C)C ZINC000140439318 1119579269 /nfs/dbraw/zinc/57/92/69/1119579269.db2.gz ROLNVRQBQMRAFR-OAHLLOKOSA-N 0 1 294.826 3.707 20 0 CHADMN CCC[C@H](C)[N@@H+](C)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000140507464 1119579310 /nfs/dbraw/zinc/57/93/10/1119579310.db2.gz OXXWDRUFLHQNQH-ZDUSSCGKSA-N 0 1 288.391 3.971 20 0 CHADMN CCC[C@H](C)N(C)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000140507464 1119579312 /nfs/dbraw/zinc/57/93/12/1119579312.db2.gz OXXWDRUFLHQNQH-ZDUSSCGKSA-N 0 1 288.391 3.971 20 0 CHADMN Cc1cnc(C(=O)Nc2ccccc2NC(C)(C)C)c(O)c1 ZINC000343799540 1119583510 /nfs/dbraw/zinc/58/35/10/1119583510.db2.gz TUGHJCXQEOKXJR-UHFFFAOYSA-N 0 1 299.374 3.558 20 0 CHADMN Cc1ncsc1CN[C@H](C)c1ccc(C(F)F)nc1 ZINC000657873058 1119588519 /nfs/dbraw/zinc/58/85/19/1119588519.db2.gz KLODBIHSPWEVJE-MRVPVSSYSA-N 0 1 283.347 3.635 20 0 CHADMN COc1ccnc(CN(C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000157824277 1119591334 /nfs/dbraw/zinc/59/13/34/1119591334.db2.gz CZWXACJBSPTYKW-IBGZPJMESA-N 0 1 294.398 3.742 20 0 CHADMN CCCOc1ccccc1NC(=O)c1cccc2nc[nH]c21 ZINC000157843877 1119592691 /nfs/dbraw/zinc/59/26/91/1119592691.db2.gz OUPUCTOFCNMJPA-UHFFFAOYSA-N 0 1 295.342 3.604 20 0 CHADMN Cc1nc(C)c(CN[C@@H](C)c2ccc(C(F)F)nc2)s1 ZINC000657886541 1119595296 /nfs/dbraw/zinc/59/52/96/1119595296.db2.gz CYDDJBLNQKIYNY-QMMMGPOBSA-N 0 1 297.374 3.943 20 0 CHADMN Cc1nc(C)c(CN[C@H](C)c2ccc(C(F)F)nc2)s1 ZINC000657886538 1119595655 /nfs/dbraw/zinc/59/56/55/1119595655.db2.gz CYDDJBLNQKIYNY-MRVPVSSYSA-N 0 1 297.374 3.943 20 0 CHADMN CC(C)n1ccnc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000171561185 1119597229 /nfs/dbraw/zinc/59/72/29/1119597229.db2.gz BREWWZAZYSAZOH-GJZGRUSLSA-N 0 1 261.413 3.619 20 0 CHADMN CC(C)CC[N@@H+](Cc1ncccc1[O-])C1CCCC1 ZINC000685410582 1119603513 /nfs/dbraw/zinc/60/35/13/1119603513.db2.gz DUBHLCXSQNGADN-UHFFFAOYSA-N 0 1 262.397 3.578 20 0 CHADMN C(c1nc2c(s1)CCCC2)N1CCC2(CCC2)CC1 ZINC000685444058 1119608499 /nfs/dbraw/zinc/60/84/99/1119608499.db2.gz UZACXAVMIXIVNH-UHFFFAOYSA-N 0 1 276.449 3.788 20 0 CHADMN COCCN(Cc1cccnc1)Cc1ccccc1C1CC1 ZINC000685456828 1119609840 /nfs/dbraw/zinc/60/98/40/1119609840.db2.gz QUODEURWZJRIPN-UHFFFAOYSA-N 0 1 296.414 3.608 20 0 CHADMN CC(C)N(C)c1ccc(CN2CCCC(F)(F)CC2)cn1 ZINC000628422261 1128857876 /nfs/dbraw/zinc/85/78/76/1128857876.db2.gz VCIJQLPRDFQMJI-UHFFFAOYSA-N 0 1 297.393 3.547 20 0 CHADMN C[C@@H](CNC1(C(F)F)CCCC1)c1ccccc1 ZINC000685476977 1119614272 /nfs/dbraw/zinc/61/42/72/1119614272.db2.gz DKTCNCZAXJXBTB-LBPRGKRZSA-N 0 1 253.336 3.958 20 0 CHADMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000466916499 1119618981 /nfs/dbraw/zinc/61/89/81/1119618981.db2.gz ULDQZPYJUISVJK-CZUORRHYSA-N 0 1 287.382 3.632 20 0 CHADMN CCCCN(Cc1nc(-c2ccccc2)no1)C1CC1 ZINC000046602972 1119620001 /nfs/dbraw/zinc/62/00/01/1119620001.db2.gz ZGNSTYGRPXGQMM-UHFFFAOYSA-N 0 1 271.364 3.501 20 0 CHADMN C[C@H](CN1Cc2ccc(O)cc2C1)c1ccc(F)cc1 ZINC000628419298 1128858422 /nfs/dbraw/zinc/85/84/22/1128858422.db2.gz SRLCOJBWNIXJHA-GFCCVEGCSA-N 0 1 271.335 3.651 20 0 CHADMN Cc1cc(CNCc2nc3ccccc3nc2C)ccc1F ZINC000685543016 1119627365 /nfs/dbraw/zinc/62/73/65/1119627365.db2.gz WMPRRDPTIVHWRG-UHFFFAOYSA-N 0 1 295.361 3.676 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H](C)c1cc2cnccc2o1 ZINC000657910889 1119627957 /nfs/dbraw/zinc/62/79/57/1119627957.db2.gz XRNQPDVWCLACCX-STQMWFEESA-N 0 1 281.359 3.943 20 0 CHADMN CCN(Cc1oc(C)nc1C)Cc1ccc(C)cc1 ZINC000685561817 1119630883 /nfs/dbraw/zinc/63/08/83/1119630883.db2.gz ZNHOOMVCGOKCCZ-UHFFFAOYSA-N 0 1 258.365 3.622 20 0 CHADMN Cc1cc([C@@H](C)NCc2c(C)noc2C)cs1 ZINC000294302170 1119631951 /nfs/dbraw/zinc/63/19/51/1119631951.db2.gz VEONUQMCCIHDFC-SECBINFHSA-N 0 1 250.367 3.512 20 0 CHADMN Cc1nc(C)c(CN(C2CC2)[C@@H]2CCc3ccccc32)o1 ZINC000685567298 1119631961 /nfs/dbraw/zinc/63/19/61/1119631961.db2.gz UADCFFKRAKTWSO-QGZVFWFLSA-N 0 1 282.387 3.943 20 0 CHADMN CC1(C2CC2)CCN(Cc2noc3c2CCCC3)CC1 ZINC000685597146 1119636443 /nfs/dbraw/zinc/63/64/43/1119636443.db2.gz QUCGYPRPBOKEBD-UHFFFAOYSA-N 0 1 274.408 3.566 20 0 CHADMN C[C@@H](N[C@@H]1CCCC12CCCCC2)c1csnn1 ZINC000398303350 1119637205 /nfs/dbraw/zinc/63/72/05/1119637205.db2.gz NYNBCAVNDQHJAI-DGCLKSJQSA-N 0 1 265.426 3.692 20 0 CHADMN COc1ccc2c(c1)C1(CC1)CN([C@H](C)c1ccncc1)C2 ZINC000685605907 1119637916 /nfs/dbraw/zinc/63/79/16/1119637916.db2.gz QPSKUQBFFLGVNS-CQSZACIVSA-N 0 1 294.398 3.699 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccc(Cl)cc2)sn1 ZINC000399196008 1119645062 /nfs/dbraw/zinc/64/50/62/1119645062.db2.gz JBRUMMHHANNXSE-VIFPVBQESA-N 0 1 282.796 3.656 20 0 CHADMN CCCCC[C@@H](C)CC(=O)Nc1cc(CN(C)C)ccn1 ZINC000176940529 1119645807 /nfs/dbraw/zinc/64/58/07/1119645807.db2.gz TWUQILJDKDZLBE-CQSZACIVSA-N 0 1 291.439 3.688 20 0 CHADMN C[C@@H](N[C@@H]1CCCn2nccc21)c1ccc(Cl)c(F)c1 ZINC000657935510 1119646571 /nfs/dbraw/zinc/64/65/71/1119646571.db2.gz DLLDGMUWOFPKKO-QMTHXVAHSA-N 0 1 293.773 3.861 20 0 CHADMN C(C[N@H+](Cc1nc2c(s1)CCC2)CC1CC1)C1CC1 ZINC000668747083 1119647913 /nfs/dbraw/zinc/64/79/13/1119647913.db2.gz CUAHLFWBJXLHIQ-UHFFFAOYSA-N 0 1 276.449 3.644 20 0 CHADMN C[C@@H](NCc1ccc(F)cc1)c1ccnn1C1CCC1 ZINC000924524238 1119651094 /nfs/dbraw/zinc/65/10/94/1119651094.db2.gz HOUMRHPEMZEBDF-GFCCVEGCSA-N 0 1 273.355 3.598 20 0 CHADMN OCc1ccc(CN(Cc2ccoc2)C2CCCCC2)o1 ZINC000093581940 1119660367 /nfs/dbraw/zinc/66/03/67/1119660367.db2.gz RLZQOSPQWYAXOB-UHFFFAOYSA-N 0 1 289.375 3.700 20 0 CHADMN CC(F)(F)c1ccc(CN[C@@H]2CCCn3nccc32)cc1 ZINC000658022599 1119667514 /nfs/dbraw/zinc/66/75/14/1119667514.db2.gz BGCDYTVRYKWIKJ-CQSZACIVSA-N 0 1 291.345 3.620 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(C(F)F)nc2)cc(C)n1 ZINC000658037497 1119670136 /nfs/dbraw/zinc/67/01/36/1119670136.db2.gz JGTYJMMLYCMABZ-LBPRGKRZSA-N 0 1 291.345 3.882 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)Cc2ccc(F)cc2C)no1 ZINC000658091450 1119681246 /nfs/dbraw/zinc/68/12/46/1119681246.db2.gz SHWDKKTZUNCOHS-YPMHNXCESA-N 0 1 276.355 3.712 20 0 CHADMN C[C@H](NCc1cccnc1N1CCCC1)c1ccc(F)cc1 ZINC000658101120 1119685420 /nfs/dbraw/zinc/68/54/20/1119685420.db2.gz NCNWXGTVDHYLPH-AWEZNQCLSA-N 0 1 299.393 3.672 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@H+]([C@H](C)c2cccc(Cl)c2)C1 ZINC000300288485 1119691084 /nfs/dbraw/zinc/69/10/84/1119691084.db2.gz SWZSSZGSXIFCAA-WBMJQRKESA-N 0 1 295.810 3.834 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1F ZINC000658169056 1119695954 /nfs/dbraw/zinc/69/59/54/1119695954.db2.gz YKBJTADWRWUDFA-XHDPSFHLSA-N 0 1 261.344 3.597 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1ccnn1C)c1ccccc1F ZINC000658169104 1119695951 /nfs/dbraw/zinc/69/59/51/1119695951.db2.gz ZCURAVNJURAAOZ-WBMJQRKESA-N 0 1 275.371 3.607 20 0 CHADMN c1c[nH]c([C@@H](NC[C@@H]2CCC[C@@H]3C[C@@H]32)c2ccccc2)n1 ZINC000658205287 1119701300 /nfs/dbraw/zinc/70/13/00/1119701300.db2.gz HBDGJBZYUNLVAR-QZWWFDLISA-N 0 1 281.403 3.525 20 0 CHADMN C[C@@H]1CCC[C@@H](CN[C@@H](c2ccccc2)c2ccccn2)O1 ZINC000658221989 1119704317 /nfs/dbraw/zinc/70/43/17/1119704317.db2.gz VRCMFIPGBJNOQS-AYBZRNKSSA-N 0 1 296.414 3.718 20 0 CHADMN C[C@]1(CCN[C@H](c2ncc[nH]2)c2ccccc2)CC1(F)F ZINC000658222291 1119704945 /nfs/dbraw/zinc/70/49/45/1119704945.db2.gz QMUNGPATPPCVDG-ZFWWWQNUSA-N 0 1 291.345 3.524 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H]1CCc2ccc(O)cc21 ZINC000658234985 1119712349 /nfs/dbraw/zinc/71/23/49/1119712349.db2.gz BTJNUPVZYOUOFV-IINYFYTJSA-N 0 1 289.400 3.800 20 0 CHADMN CCC[C@@H](NCc1c(C2CCC2)cnn1C)c1ccccn1 ZINC000658268628 1119712574 /nfs/dbraw/zinc/71/25/74/1119712574.db2.gz QIDMTYGSZDEELT-MRXNPFEDSA-N 0 1 298.434 3.714 20 0 CHADMN Cc1ccc([C@@H](C)NCc2c(C3CCC3)cnn2C)c(C)n1 ZINC000658268223 1119713613 /nfs/dbraw/zinc/71/36/13/1119713613.db2.gz LDQHPXFUUKINGA-CYBMUJFWSA-N 0 1 298.434 3.550 20 0 CHADMN CC(C)[C@H](O)[C@@H](N[C@@H](C)c1cncs1)c1ccccc1 ZINC000658286829 1119718017 /nfs/dbraw/zinc/71/80/17/1119718017.db2.gz BXBMFCJJVQWRBJ-RCBQFDQVSA-N 0 1 290.432 3.552 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](c2ccccc2)[C@@H](O)C(C)C)o1 ZINC000658286889 1119718172 /nfs/dbraw/zinc/71/81/72/1119718172.db2.gz CQEWCRVNPYDMFO-QGTPRVQTSA-N 0 1 287.403 3.997 20 0 CHADMN C[C@H](NCC1=CCCC1)c1ncc(-c2ccccc2)n1C ZINC000658290562 1119718505 /nfs/dbraw/zinc/71/85/05/1119718505.db2.gz BZLGUHOTJDAXMD-AWEZNQCLSA-N 0 1 281.403 3.848 20 0 CHADMN Cc1ccc([C@@H](N[C@H](C)c2nccn2C)C2CCC2)cc1 ZINC000658337211 1119726143 /nfs/dbraw/zinc/72/61/43/1119726143.db2.gz SZJKGXVZZQXAHE-PBHICJAKSA-N 0 1 283.419 3.921 20 0 CHADMN COC1(C[C@@H](C)NCC(F)(F)C(C)(C)C)CCC1 ZINC000658336430 1119726647 /nfs/dbraw/zinc/72/66/47/1119726647.db2.gz DVKGDOCVPMJOBL-LLVKDONJSA-N 0 1 263.372 3.605 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nccn1C)c1cccc(C)c1 ZINC000658338892 1119727270 /nfs/dbraw/zinc/72/72/70/1119727270.db2.gz MQCXPXOCUIMWNQ-DZGCQCFKSA-N 0 1 257.381 3.530 20 0 CHADMN Cc1cc([C@H](C)N[C@H](c2ccccc2)[C@H](C)O)c(C)o1 ZINC000658360989 1119731296 /nfs/dbraw/zinc/73/12/96/1119731296.db2.gz MWOOGDQMAPKKNE-DCGLDWPTSA-N 0 1 273.376 3.669 20 0 CHADMN Cc1nc(C2(NCCc3ccc(C)cc3)CCCCC2)no1 ZINC000605575826 1119735512 /nfs/dbraw/zinc/73/55/12/1119735512.db2.gz WVQBPSCDHIXJIT-UHFFFAOYSA-N 0 1 299.418 3.678 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2cccc(Br)n2)C1 ZINC000310287168 1119738726 /nfs/dbraw/zinc/73/87/26/1119738726.db2.gz YABNHUQOIUEQGC-LLVKDONJSA-N 0 1 297.240 3.712 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc(C)sc2C)sn1 ZINC000404402300 1119752345 /nfs/dbraw/zinc/75/23/45/1119752345.db2.gz AABYACSBCDDZTJ-SNVBAGLBSA-N 0 1 266.435 3.981 20 0 CHADMN CCn1c(C)cc(C(=O)CN2CCC3(CCC3)CC2)c1C ZINC000308741377 1119752736 /nfs/dbraw/zinc/75/27/36/1119752736.db2.gz DFUJSCLLUGTIPI-UHFFFAOYSA-N 0 1 288.435 3.574 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2CC(C)(C)c3ccccc32)o1 ZINC000628229238 1119753994 /nfs/dbraw/zinc/75/39/94/1119753994.db2.gz NKVCQSXQDPHTAR-OAHLLOKOSA-N 0 1 270.376 3.804 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)NCc2ccns2)c1 ZINC000404443504 1119755074 /nfs/dbraw/zinc/75/50/74/1119755074.db2.gz LZGSTJBZQMLIFF-GFCCVEGCSA-N 0 1 276.405 3.781 20 0 CHADMN Cc1cccc2c1CCN([C@@H](C)c1ccccn1)C2 ZINC000177123627 1119761653 /nfs/dbraw/zinc/76/16/53/1119761653.db2.gz FDWRZILMQTXGNA-AWEZNQCLSA-N 0 1 252.361 3.509 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1cnc(C)o1 ZINC000628252178 1119762109 /nfs/dbraw/zinc/76/21/09/1119762109.db2.gz KKXACHPFCRLCRO-LCYFTJDESA-N 0 1 256.349 3.518 20 0 CHADMN CC(C)[C@H](NCc1nccn1C)c1ccc(Cl)cc1 ZINC000051922007 1119763530 /nfs/dbraw/zinc/76/35/30/1119763530.db2.gz OSGGZBXJCDTUTF-HNNXBMFYSA-N 0 1 277.799 3.560 20 0 CHADMN COc1cc(-c2nc3ccc(C)cc3[nH]2)cc(Cl)c1O ZINC000169969582 1119765777 /nfs/dbraw/zinc/76/57/77/1119765777.db2.gz NOIDOBIWYXMEFP-UHFFFAOYSA-N 0 1 288.734 3.906 20 0 CHADMN O=C1[C@H]2CCCCCC2=NN1c1ncc(Cl)cc1Cl ZINC000612373240 1119779621 /nfs/dbraw/zinc/77/96/21/1119779621.db2.gz YWUKDCKVQVINMH-VIFPVBQESA-N 0 1 298.173 3.671 20 0 CHADMN CCC(CC)C[N@@H+](CC)CCc1ccccc1C(=O)[O-] ZINC000569934605 1119783688 /nfs/dbraw/zinc/78/36/88/1119783688.db2.gz JTSUOIUHOSUZGK-UHFFFAOYSA-N 0 1 277.408 3.685 20 0 CHADMN COCCCC[C@H](NCc1cnc(C)o1)c1ccccc1 ZINC000628255593 1119785195 /nfs/dbraw/zinc/78/51/95/1119785195.db2.gz RXHDLUOAQSZBMW-KRWDZBQOSA-N 0 1 288.391 3.631 20 0 CHADMN COC(=O)c1oc(CN[C@@H]2CCCc3ccccc32)cc1C ZINC000612432536 1119787131 /nfs/dbraw/zinc/78/71/31/1119787131.db2.gz YGURIVIGMRDSOX-MRXNPFEDSA-N 0 1 299.370 3.542 20 0 CHADMN c1ccc(COc2ncccc2CN2CCCC23CC3)cc1 ZINC001238772413 1131243447 /nfs/dbraw/zinc/24/34/47/1131243447.db2.gz PIDZNPABXPAOEG-UHFFFAOYSA-N 0 1 294.398 3.789 20 0 CHADMN C/C=C\C[C@@H]1CCCN(Cc2ncc(C)s2)C1 ZINC000626163157 1119795121 /nfs/dbraw/zinc/79/51/21/1119795121.db2.gz GBAKKEXEGRCMQH-DHCBQETCSA-N 0 1 250.411 3.630 20 0 CHADMN Cc1ccsc1-c1noc([C@H]2CCCN2C(C)C)n1 ZINC000924076236 1119803414 /nfs/dbraw/zinc/80/34/14/1119803414.db2.gz LKZPQBGBWHVVJS-LLVKDONJSA-N 0 1 277.393 3.652 20 0 CHADMN C[C@H](N[C@@H]1C=CCC1)c1cc(-c2ccccc2)no1 ZINC000926689553 1119812331 /nfs/dbraw/zinc/81/23/31/1119812331.db2.gz KBLJVXILPGGSTH-GXTWGEPZSA-N 0 1 254.333 3.711 20 0 CHADMN CC(C)(C(=O)NOC1CCCCC1)c1ccccc1Cl ZINC000779323065 1128871268 /nfs/dbraw/zinc/87/12/68/1128871268.db2.gz IKFZPHVKNTYWTF-UHFFFAOYSA-N 0 1 295.810 3.998 20 0 CHADMN Cc1nc(CNC2CC(c3ccc(F)cc3F)C2)cs1 ZINC000892512030 1119822271 /nfs/dbraw/zinc/82/22/71/1119822271.db2.gz MTLBTGQRULNGAN-UHFFFAOYSA-N 0 1 294.370 3.766 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H](C)c1cc(O)cc(F)c1 ZINC000924558202 1119829680 /nfs/dbraw/zinc/82/96/80/1119829680.db2.gz CXFYKPSFCBWGND-NEPJUHHUSA-N 0 1 289.350 3.952 20 0 CHADMN CC[C@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)[C@@H](CC)CO1 ZINC000628324493 1119833895 /nfs/dbraw/zinc/83/38/95/1119833895.db2.gz WHOUMESQWOXBSM-HOTGVXAUSA-N 0 1 272.392 3.557 20 0 CHADMN Clc1cc(Cl)cc(-c2noc([C@@H]3CCCCN3)n2)c1 ZINC000236050514 1119849546 /nfs/dbraw/zinc/84/95/46/1119849546.db2.gz OTHVDNMEZUSTOA-NSHDSACASA-N 0 1 298.173 3.858 20 0 CHADMN CO[C@H]1CCCN(Cc2cscc2C(F)(F)F)CC1 ZINC000685843651 1119862446 /nfs/dbraw/zinc/86/24/46/1119862446.db2.gz OLILXWKUIFBVSL-NSHDSACASA-N 0 1 293.354 3.768 20 0 CHADMN Cc1cnc(CNCCc2ccc(C(C)(C)C)cc2)o1 ZINC000685845528 1119864038 /nfs/dbraw/zinc/86/40/38/1119864038.db2.gz IBCHVEZVERUZKA-UHFFFAOYSA-N 0 1 272.392 3.613 20 0 CHADMN CN(Cc1ccccc1Cl)C[C@@H](O)c1ccc(F)cc1 ZINC000066346890 1119868157 /nfs/dbraw/zinc/86/81/57/1119868157.db2.gz AYMQTVZIZQSRQA-MRXNPFEDSA-N 0 1 293.769 3.645 20 0 CHADMN C[C@H]1CN(Cc2cc3ccccc3[nH]2)CCC1(F)F ZINC000685849287 1119871194 /nfs/dbraw/zinc/87/11/94/1119871194.db2.gz JQNQRUBWPJFDFP-NSHDSACASA-N 0 1 264.319 3.645 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414061189 1119874768 /nfs/dbraw/zinc/87/47/68/1119874768.db2.gz YTDFCFLBSCBLCB-KGLIPLIRSA-N 0 1 269.392 3.550 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccccn2)c(C)c1 ZINC000414061144 1119874776 /nfs/dbraw/zinc/87/47/76/1119874776.db2.gz YPWQUAQSCYZVAT-UONOGXRCSA-N 0 1 270.376 3.810 20 0 CHADMN C[C@H](NC[C@H]1CCCO1)c1csc(-c2ccccc2)n1 ZINC000414061761 1119875680 /nfs/dbraw/zinc/87/56/80/1119875680.db2.gz ZKABNDADHNUTNV-GXTWGEPZSA-N 0 1 288.416 3.640 20 0 CHADMN CC(C)C[C@H](N[C@@H](C)c1ccn(C)n1)c1ccccc1 ZINC000414065381 1119877703 /nfs/dbraw/zinc/87/77/03/1119877703.db2.gz OJYNGHFJTAWPCZ-YOEHRIQHSA-N 0 1 271.408 3.858 20 0 CHADMN C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1ccn(C)n1 ZINC000414066653 1119877728 /nfs/dbraw/zinc/87/77/28/1119877728.db2.gz HHECKGJDCGHVMQ-PXAZEXFGSA-N 0 1 287.382 3.751 20 0 CHADMN C[C@H](N[C@@H](c1nccs1)c1ccccc1)[C@H]1C[C@H]1C ZINC000414082031 1119887572 /nfs/dbraw/zinc/88/75/72/1119887572.db2.gz UUGBMQVXCLFKDV-PAPYEOQZSA-N 0 1 272.417 3.867 20 0 CHADMN CC(C)C[C@@H](N[C@H](C)c1ccn(C)n1)c1cccs1 ZINC000414081572 1119887835 /nfs/dbraw/zinc/88/78/35/1119887835.db2.gz UJWLNNORMRBJMU-TZMCWYRMSA-N 0 1 277.437 3.920 20 0 CHADMN COc1cc2c(cc1-c1nc3cccc(C)c3[nH]1)O[C@H](C)C2 ZINC000613291672 1119898921 /nfs/dbraw/zinc/89/89/21/1119898921.db2.gz WQRZBFCTSMRZMH-LLVKDONJSA-N 0 1 294.354 3.870 20 0 CHADMN Cc1nc([C@H]2CCCN2CCc2ccncc2C)cs1 ZINC000570838577 1119904531 /nfs/dbraw/zinc/90/45/31/1119904531.db2.gz COOYHOOVCJSNOW-MRXNPFEDSA-N 0 1 287.432 3.535 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](N[C@@H](C)c1ccn(C)n1)CC2 ZINC000414127012 1119908636 /nfs/dbraw/zinc/90/86/36/1119908636.db2.gz FRHSFLUKNHPJFW-SCLBCKFNSA-N 0 1 283.419 3.882 20 0 CHADMN C[C@@H](NCCC(C)(C)O)c1csc(-c2ccccc2)n1 ZINC000414129781 1119909417 /nfs/dbraw/zinc/90/94/17/1119909417.db2.gz ISQIWDSYZGHDIM-GFCCVEGCSA-N 0 1 290.432 3.622 20 0 CHADMN CC(C)OCCN[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414129669 1119909641 /nfs/dbraw/zinc/90/96/41/1119909641.db2.gz ILXDTYSYISQRII-ZDUSSCGKSA-N 0 1 290.432 3.886 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1Cc1cn2ccccc2n1 ZINC000466923723 1119910006 /nfs/dbraw/zinc/91/00/06/1119910006.db2.gz MEIRCWPPDKQLLA-SFHVURJKSA-N 0 1 291.398 3.671 20 0 CHADMN CCC(=O)c1ccc(NC(=O)c2c(C)n[nH]c2C(C)C)cc1 ZINC000628691115 1128876680 /nfs/dbraw/zinc/87/66/80/1128876680.db2.gz AHXNHMMRNPFMOH-UHFFFAOYSA-N 0 1 299.374 3.687 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1C2CCC1CC2 ZINC000613403649 1119917080 /nfs/dbraw/zinc/91/70/80/1119917080.db2.gz WWBGSBKQQFFZQG-XGNXJENSSA-N 0 1 292.810 3.602 20 0 CHADMN Cc1cnc(CN(C[C@H]2CCCO2)C2CCC(C)CC2)o1 ZINC000173864215 1119917487 /nfs/dbraw/zinc/91/74/87/1119917487.db2.gz CNLTZKJNIRJKTR-AVVWSFFYSA-N 0 1 292.423 3.543 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc2c(s1)CCCC2)c1ccn(C)n1 ZINC000414169185 1119924968 /nfs/dbraw/zinc/92/49/68/1119924968.db2.gz ASVVZTQWRPOERS-NEPJUHHUSA-N 0 1 289.448 3.772 20 0 CHADMN Cc1ccc(CN(CCOc2ccccc2)C2CC2)o1 ZINC000613443745 1119927747 /nfs/dbraw/zinc/92/77/47/1119927747.db2.gz XRRPTHNBEUJTHA-UHFFFAOYSA-N 0 1 271.360 3.631 20 0 CHADMN CC[C@H](C)[C@@H](CN[C@@H](C)c1c(F)cccc1OC)OC ZINC000381338161 1128878326 /nfs/dbraw/zinc/87/83/26/1128878326.db2.gz AXVPCBBTLMOXIR-SLEUVZQESA-N 0 1 283.387 3.546 20 0 CHADMN CCC[C@H](NCc1ccn(CC)n1)c1ccccc1 ZINC000414207873 1119940393 /nfs/dbraw/zinc/94/03/93/1119940393.db2.gz KRTZILUGCXCFBX-INIZCTEOSA-N 0 1 257.381 3.534 20 0 CHADMN C[C@@H](NCc1cnccc1C(C)(C)C)c1cncc(F)c1 ZINC000414223099 1119945729 /nfs/dbraw/zinc/94/57/29/1119945729.db2.gz FZCIXLKCLRQXNW-GFCCVEGCSA-N 0 1 287.382 3.764 20 0 CHADMN CO[C@H](c1ccccc1)[C@@H](C)N[C@@H](C)c1nccs1 ZINC000414226179 1119946402 /nfs/dbraw/zinc/94/64/02/1119946402.db2.gz TZBDEKZLDPHPPS-DYEKYZERSA-N 0 1 276.405 3.570 20 0 CHADMN CO[C@@H](c1ccccc1)[C@H](C)N[C@@H](C)c1nccs1 ZINC000414226184 1119947054 /nfs/dbraw/zinc/94/70/54/1119947054.db2.gz TZBDEKZLDPHPPS-SGMGOOAPSA-N 0 1 276.405 3.570 20 0 CHADMN CCOc1ccc(CNCc2ccc(CC)s2)o1 ZINC000892573333 1119950931 /nfs/dbraw/zinc/95/09/31/1119950931.db2.gz PXQYDQOGEYLEJQ-UHFFFAOYSA-N 0 1 265.378 3.592 20 0 CHADMN FC(F)(F)c1ccnc(CN[C@@H]2CCC[C@H](C3CC3)C2)n1 ZINC000414260214 1119959216 /nfs/dbraw/zinc/95/92/16/1119959216.db2.gz QPIRFLBBFVRITF-NWDGAFQWSA-N 0 1 299.340 3.554 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H]2CCCC[C@H]2F)c(OC)c1 ZINC000414281445 1119965419 /nfs/dbraw/zinc/96/54/19/1119965419.db2.gz FZFBHFGBKBXOIL-KCPJHIHWSA-N 0 1 281.371 3.635 20 0 CHADMN CC[C@H]1C[C@H](C)CN1Cc1noc(-c2ccccc2C)n1 ZINC000472579033 1119975047 /nfs/dbraw/zinc/97/50/47/1119975047.db2.gz OFCISUNBCXDEFX-JSGCOSHPSA-N 0 1 285.391 3.665 20 0 CHADMN CCn1ccnc1NCc1ccc(Br)c(C)c1 ZINC000414310164 1119977134 /nfs/dbraw/zinc/97/71/34/1119977134.db2.gz ZFRHTZFSRACOQV-UHFFFAOYSA-N 0 1 294.196 3.586 20 0 CHADMN CC(C)[C@@H]1CCN(Cc2cc(Cl)nc(Cl)c2)C1 ZINC000755996127 1119980887 /nfs/dbraw/zinc/98/08/87/1119980887.db2.gz PYWUBOCWIXACAD-LLVKDONJSA-N 0 1 273.207 3.866 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)C[C@@H]1NCc1nnc(C2CC2)s1 ZINC000414321097 1119981280 /nfs/dbraw/zinc/98/12/80/1119981280.db2.gz DGYNQPNLUDJOEE-GLQYFDAESA-N 0 1 299.443 3.697 20 0 CHADMN C[C@@H](C[C@@H]1CCOC1)Nc1ccnc2cc(F)ccc21 ZINC000685910101 1119982413 /nfs/dbraw/zinc/98/24/13/1119982413.db2.gz BZJLSUPOQRYQBN-RYUDHWBXSA-N 0 1 274.339 3.601 20 0 CHADMN C[C@H](C[C@H]1CCOC1)Nc1ccnc2cc(F)ccc21 ZINC000685910102 1119982496 /nfs/dbraw/zinc/98/24/96/1119982496.db2.gz BZJLSUPOQRYQBN-VXGBXAGGSA-N 0 1 274.339 3.601 20 0 CHADMN CCSc1ccc([C@@H](C)NCc2cn(C)nc2C)cc1 ZINC000161947722 1119986054 /nfs/dbraw/zinc/98/60/54/1119986054.db2.gz YCAKOKKDWCUIJE-GFCCVEGCSA-N 0 1 289.448 3.691 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2cccc(OC)c2)o1 ZINC000892633546 1119997727 /nfs/dbraw/zinc/99/77/27/1119997727.db2.gz FYMPOUIHNYBUQB-LBPRGKRZSA-N 0 1 275.348 3.538 20 0 CHADMN CCc1ccc(CN(Cc2cnc(CC)nc2)C2CC2)cc1 ZINC000414370432 1120002424 /nfs/dbraw/zinc/00/24/24/1120002424.db2.gz LQFATGAPFZTDCM-UHFFFAOYSA-N 0 1 295.430 3.766 20 0 CHADMN Cc1ccc(CN(Cc2ccc(F)cc2)C(C)(C)C)nn1 ZINC000414371989 1120003756 /nfs/dbraw/zinc/00/37/56/1120003756.db2.gz JBWZOIYUMBUPDM-UHFFFAOYSA-N 0 1 287.382 3.725 20 0 CHADMN CCc1ncc(CN(C)[C@@H](C)c2ccc(C)cc2C)cn1 ZINC000414373813 1120004080 /nfs/dbraw/zinc/00/40/80/1120004080.db2.gz UDSZKAZKDLCWAO-HNNXBMFYSA-N 0 1 283.419 3.849 20 0 CHADMN CCCOc1cc(C)ccc1CNCc1ccoc1C ZINC000414386963 1120013117 /nfs/dbraw/zinc/01/31/17/1120013117.db2.gz ZKVLWTDVDPWCDT-UHFFFAOYSA-N 0 1 273.376 3.975 20 0 CHADMN [O-]c1cccc2c(N3CCCC(F)(F)CC3)cc[nH+]c12 ZINC000624521429 1120020447 /nfs/dbraw/zinc/02/04/47/1120020447.db2.gz IQJDKZBUWBBWNO-UHFFFAOYSA-N 0 1 278.302 3.566 20 0 CHADMN C[C@@H](NCc1cccc(CO)c1)c1ccccc1Cl ZINC000177306117 1120029919 /nfs/dbraw/zinc/02/99/19/1120029919.db2.gz FTMIHRTUUYMVAZ-GFCCVEGCSA-N 0 1 275.779 3.683 20 0 CHADMN Cc1cccc(-c2noc(CN[C@H](C)C(C)(C)C)n2)c1 ZINC000114196716 1120030140 /nfs/dbraw/zinc/03/01/40/1120030140.db2.gz LDBLCQQQAJWVEE-GFCCVEGCSA-N 0 1 273.380 3.569 20 0 CHADMN CCOc1ccc(CNCc2cc(O)cc(Cl)c2)cc1 ZINC000892673261 1120040207 /nfs/dbraw/zinc/04/02/07/1120040207.db2.gz HWJWACYJYDRKBB-UHFFFAOYSA-N 0 1 291.778 3.734 20 0 CHADMN CCN(Cc1csc(Cl)n1)C1CCCCC1 ZINC000309454631 1120048262 /nfs/dbraw/zinc/04/82/62/1120048262.db2.gz RYXOZUMRFIGUCC-UHFFFAOYSA-N 0 1 258.818 3.951 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc(C)c(C)c3)c2c1 ZINC000094660697 1120053602 /nfs/dbraw/zinc/05/36/02/1120053602.db2.gz CYJXFJGZCJEUJC-UHFFFAOYSA-N 0 1 251.333 3.533 20 0 CHADMN CC(C)OC[C@H](C)NCc1c(Cl)oc2ccccc21 ZINC000623644989 1120056230 /nfs/dbraw/zinc/05/62/30/1120056230.db2.gz IYIYLRRYJBZFTL-NSHDSACASA-N 0 1 281.783 3.989 20 0 CHADMN CC[C@H](C[C@](C)(O)CC)N[C@H](CF)c1ccc(F)cc1 ZINC000926809670 1120056650 /nfs/dbraw/zinc/05/66/50/1120056650.db2.gz OIJRMFWDASYYEW-BZUAXINKSA-N 0 1 285.378 3.756 20 0 CHADMN CC[C@H](C[C@@](C)(O)CC)N[C@H](CF)c1ccc(F)cc1 ZINC000926809672 1120056807 /nfs/dbraw/zinc/05/68/07/1120056807.db2.gz OIJRMFWDASYYEW-OAGGEKHMSA-N 0 1 285.378 3.756 20 0 CHADMN CCC(C)=CC(=O)Nc1ccc(-c2nc(C)c(C)[nH]2)cc1 ZINC000921656878 1120057350 /nfs/dbraw/zinc/05/73/50/1120057350.db2.gz POXVSYYBIHJTPI-ZHACJKMWSA-N 0 1 283.375 3.988 20 0 CHADMN CCOC(=O)c1ccc(CNCc2ccccc2C2CC2)o1 ZINC000589197798 1120067666 /nfs/dbraw/zinc/06/76/66/1120067666.db2.gz QYLZARFPKSUORE-UHFFFAOYSA-N 0 1 299.370 3.624 20 0 CHADMN C[C@H](NCc1ccsc1)c1ccnc(Cl)c1 ZINC000166605321 1120070316 /nfs/dbraw/zinc/07/03/16/1120070316.db2.gz BWURGLZYPNYPGM-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN FC(F)(F)[C@H]1CCN(Cc2cnc3ccccc3c2)C1 ZINC000685003493 1120071677 /nfs/dbraw/zinc/07/16/77/1120071677.db2.gz CEZRHRPQHJBIBR-ZDUSSCGKSA-N 0 1 280.293 3.619 20 0 CHADMN Cc1noc(C)c1CN(C)CCSCc1ccccc1 ZINC000186418809 1120075313 /nfs/dbraw/zinc/07/53/13/1120075313.db2.gz UPXADBOKUDFHJQ-UHFFFAOYSA-N 0 1 290.432 3.657 20 0 CHADMN CN(C)Cc1ccc(-c2cc(F)ccc2F)cc1F ZINC001239712183 1120076610 /nfs/dbraw/zinc/07/66/10/1120076610.db2.gz VYCMDPFYZKVALE-UHFFFAOYSA-N 0 1 265.278 3.833 20 0 CHADMN CC[C@H](NCc1cccc(OC)n1)c1ccc(C)cc1 ZINC000178753833 1120083359 /nfs/dbraw/zinc/08/33/59/1120083359.db2.gz WURHHZFSASELQO-INIZCTEOSA-N 0 1 270.376 3.640 20 0 CHADMN CCC[C@H](NCc1cn(C)cn1)c1cc(C)sc1C ZINC000903352093 1120087424 /nfs/dbraw/zinc/08/74/24/1120087424.db2.gz QQWVLNGLOGZZJW-HNNXBMFYSA-N 0 1 277.437 3.729 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N(C)CCC2CC2)c(Cl)c1 ZINC000179251526 1120092167 /nfs/dbraw/zinc/09/21/67/1120092167.db2.gz OOTBRLKKULIBFG-GFCCVEGCSA-N 0 1 294.826 3.707 20 0 CHADMN CC(C)=CCO[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001205025601 1120093813 /nfs/dbraw/zinc/09/38/13/1120093813.db2.gz MDJRHDSNAIKXOT-MRXNPFEDSA-N 0 1 277.383 3.773 20 0 CHADMN C(CSc1nnc(CCC2CCCC2)[nH]1)OC1CCC1 ZINC000343836854 1120094239 /nfs/dbraw/zinc/09/42/39/1120094239.db2.gz KQHFFCSMXLRQBO-UHFFFAOYSA-N 0 1 295.452 3.589 20 0 CHADMN C(CSc1nc(CCC2CCCC2)n[nH]1)OC1CCC1 ZINC000343836854 1120094244 /nfs/dbraw/zinc/09/42/44/1120094244.db2.gz KQHFFCSMXLRQBO-UHFFFAOYSA-N 0 1 295.452 3.589 20 0 CHADMN Brc1cncc(CN2CCCCCCC2)c1 ZINC000131625233 1120095599 /nfs/dbraw/zinc/09/55/99/1120095599.db2.gz ORVNDOMNACIKQL-UHFFFAOYSA-N 0 1 283.213 3.610 20 0 CHADMN COc1c(C)cccc1CNCc1cc(F)ccc1C ZINC000655834050 1120096503 /nfs/dbraw/zinc/09/65/03/1120096503.db2.gz ZJNCJAJAQOINSC-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN CCN(Cc1ccccc1C)C(=O)c1c(C)n[nH]c1C(C)C ZINC000135217446 1120096726 /nfs/dbraw/zinc/09/67/26/1120096726.db2.gz OXMSWRCIEYRKOZ-UHFFFAOYSA-N 0 1 299.418 3.812 20 0 CHADMN Oc1cccc(CNc2ccnc3cc(F)ccc32)c1 ZINC000180416903 1120099145 /nfs/dbraw/zinc/09/91/45/1120099145.db2.gz KFPGIEPSTKLJGR-UHFFFAOYSA-N 0 1 268.291 3.692 20 0 CHADMN CC[C@H](C)[N@@H+](CCCCC(=O)[O-])Cc1ccccc1 ZINC000181539972 1120105314 /nfs/dbraw/zinc/10/53/14/1120105314.db2.gz YPEMDUGWZCBKJH-AWEZNQCLSA-N 0 1 263.381 3.542 20 0 CHADMN C[C@@H](NC/C=C/Cl)c1cc2c(ccnc2Cl)o1 ZINC000903444273 1120108018 /nfs/dbraw/zinc/10/80/18/1120108018.db2.gz OFJIJOBEXWMFJU-BYDTYLDUSA-N 0 1 271.147 3.884 20 0 CHADMN CC(C)CCN(C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000106859987 1120108808 /nfs/dbraw/zinc/10/88/08/1120108808.db2.gz ZXRJFPKWLRSZCA-UHFFFAOYSA-N 0 1 293.798 3.868 20 0 CHADMN C[C@H](c1ccccc1)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000605594916 1120109222 /nfs/dbraw/zinc/10/92/22/1120109222.db2.gz VWECTBYWVRXULV-OCCSQVGLSA-N 0 1 287.325 3.791 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@H+](CC1CCCCCC1)C2 ZINC000659791146 1120110493 /nfs/dbraw/zinc/11/04/93/1120110493.db2.gz RZSMACSBUMFVMV-UHFFFAOYSA-N 0 1 273.376 3.671 20 0 CHADMN COc1ccc(CNCc2cc3c(s2)CCCC3)o1 ZINC000892710777 1120110798 /nfs/dbraw/zinc/11/07/98/1120110798.db2.gz DMAXZDODMCHFDO-UHFFFAOYSA-N 0 1 277.389 3.518 20 0 CHADMN O=C([O-])[C@]12C[N@H+]([C@H]3CCCc4ccccc43)C[C@H]1CCCC2 ZINC000659798287 1120112480 /nfs/dbraw/zinc/11/24/80/1120112480.db2.gz AFABIHLFAVCGKD-HHXXYDBFSA-N 0 1 299.414 3.641 20 0 CHADMN O=C([O-])[C@]12C[N@@H+](CCC3CCCCC3)C[C@H]1CCCC2 ZINC000659799935 1120113007 /nfs/dbraw/zinc/11/30/07/1120113007.db2.gz PTQZGEZQQZXELC-NVXWUHKLSA-N 0 1 279.424 3.534 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000659803775 1120113396 /nfs/dbraw/zinc/11/33/96/1120113396.db2.gz NEJKGJIYCDVERK-HNNXBMFYSA-N 0 1 267.413 3.676 20 0 CHADMN C[C@@H](C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1)C1CCCCC1 ZINC000659799878 1120113572 /nfs/dbraw/zinc/11/35/72/1120113572.db2.gz OZVIPFICNKJOOX-ZVZYQTTQSA-N 0 1 293.451 3.780 20 0 CHADMN C[N@H+](Cc1cccc(C(=O)[O-])c1)C[C@H]1CCc2ccccc21 ZINC000659804288 1120114381 /nfs/dbraw/zinc/11/43/81/1120114381.db2.gz WABFYWOOOYMJQF-QGZVFWFLSA-N 0 1 295.382 3.547 20 0 CHADMN c1c(CN2CCC[C@H]2c2ccccc2)onc1C1CC1 ZINC000659812201 1120116224 /nfs/dbraw/zinc/11/62/24/1120116224.db2.gz PQKFPYFXGGBHCM-KRWDZBQOSA-N 0 1 268.360 3.889 20 0 CHADMN Cc1cccc(CN[C@H]2CCc3c2nccc3Cl)c1 ZINC000924597289 1120117848 /nfs/dbraw/zinc/11/78/48/1120117848.db2.gz HIZNEYJTCZZPEV-HNNXBMFYSA-N 0 1 272.779 3.821 20 0 CHADMN CCc1ccc(CN(C)Cc2cnc3ccccc3n2)cc1 ZINC000659827384 1120121084 /nfs/dbraw/zinc/12/10/84/1120121084.db2.gz WIFYBDSPIOPWGZ-UHFFFAOYSA-N 0 1 291.398 3.824 20 0 CHADMN C[C@@H]1CCC[C@@H](C[N@@H+](CCC(=O)[O-])Cc2ccccc2)C1 ZINC000692509031 1120135667 /nfs/dbraw/zinc/13/56/67/1120135667.db2.gz QJUSUNMZBMAONI-NVXWUHKLSA-N 0 1 289.419 3.790 20 0 CHADMN C[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1Cl ZINC000728686694 1120139522 /nfs/dbraw/zinc/13/95/22/1120139522.db2.gz WIOMOCRYYQXCCI-AWEZNQCLSA-N 0 1 289.806 3.723 20 0 CHADMN CCc1c2cc(C)ccc2oc1[C@@H](C)NCc1cncn1C ZINC000353568936 1120140236 /nfs/dbraw/zinc/14/02/36/1120140236.db2.gz QCZISNNJJRVOKP-CYBMUJFWSA-N 0 1 297.402 3.888 20 0 CHADMN CSCCCN(C)[C@H](C)c1c(F)cccc1F ZINC000362462864 1120143403 /nfs/dbraw/zinc/14/34/03/1120143403.db2.gz CDIIRUJVYOWORS-SNVBAGLBSA-N 0 1 259.365 3.711 20 0 CHADMN C[C@H]1C[C@@H](NCc2cccc3c2OCO3)c2ccccc21 ZINC000313781115 1120150011 /nfs/dbraw/zinc/15/00/11/1120150011.db2.gz AVTBVAOCPKERRZ-BLLLJJGKSA-N 0 1 281.355 3.753 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cnn(CC3CCC3)c1)CC2 ZINC000921704604 1120157674 /nfs/dbraw/zinc/15/76/74/1120157674.db2.gz MHEOWXJNVMOILT-GOSISDBHSA-N 0 1 299.393 3.599 20 0 CHADMN CCC[C@H](NCc1cnc(F)c(C)c1)c1ccccn1 ZINC000892910959 1120160142 /nfs/dbraw/zinc/16/01/42/1120160142.db2.gz GSRHDGPALWQETH-AWEZNQCLSA-N 0 1 273.355 3.555 20 0 CHADMN CCc1ccc([C@H]2C[C@H](C)CCN2Cc2cnn(C)c2)o1 ZINC000174447745 1120169541 /nfs/dbraw/zinc/16/95/41/1120169541.db2.gz IZMGAKRHWIPSMP-CZUORRHYSA-N 0 1 287.407 3.549 20 0 CHADMN [O-]c1cccc(C[NH+]2CCCCCCC2)c1Cl ZINC000328318034 1120171642 /nfs/dbraw/zinc/17/16/42/1120171642.db2.gz DEVFETYFQOWXTE-UHFFFAOYSA-N 0 1 253.773 3.812 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2Cc2cccc(F)c2)c(C)o1 ZINC000659845515 1120174165 /nfs/dbraw/zinc/17/41/65/1120174165.db2.gz JOIBWFWVUSLTBC-MRXNPFEDSA-N 0 1 288.366 3.638 20 0 CHADMN c1cnc2c(c1)CCC[C@@H]2Nc1cc(OCC2CC2)ccn1 ZINC001168654901 1120175129 /nfs/dbraw/zinc/17/51/29/1120175129.db2.gz HZZMSLCNQRGNFC-INIZCTEOSA-N 0 1 295.386 3.755 20 0 CHADMN CCCCc1noc([C@@H](C)N[C@@H]2Cc3ccccc3[C@@H]2C)n1 ZINC000661519954 1120175231 /nfs/dbraw/zinc/17/52/31/1120175231.db2.gz DZUVNTXCXRGZJU-WOSRLPQWSA-N 0 1 299.418 3.791 20 0 CHADMN COc1nccc(CN[C@@H](C)c2cccc(C)c2C)c1F ZINC000892949164 1120175427 /nfs/dbraw/zinc/17/54/27/1120175427.db2.gz MNAXIHUMTGEHAJ-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN CC(C)(C)c1coc(CNC[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000921726579 1120175590 /nfs/dbraw/zinc/17/55/90/1120175590.db2.gz ZVNSNQWOQQSGGW-LSDHHAIUSA-N 0 1 284.403 3.865 20 0 CHADMN Cc1ccc(CN[C@H]2CCCc3c2cnn3C)c(Cl)c1 ZINC000404623044 1120181102 /nfs/dbraw/zinc/18/11/02/1120181102.db2.gz AYSRHSDHKLAWOF-HNNXBMFYSA-N 0 1 289.810 3.549 20 0 CHADMN Cc1cccnc1[C@H](NCc1cnc(F)c(C)c1)C(C)C ZINC000892963272 1120183334 /nfs/dbraw/zinc/18/33/34/1120183334.db2.gz DPGBFFFYYBNTPV-OAHLLOKOSA-N 0 1 287.382 3.719 20 0 CHADMN CC[C@](C)(NCc1nccn1C1CC1)c1ccccc1 ZINC000892973459 1120186008 /nfs/dbraw/zinc/18/60/08/1120186008.db2.gz RKHRHCSGRKXSFO-KRWDZBQOSA-N 0 1 269.392 3.633 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SC[C@@H]3C[C@H]3C)n2)o1 ZINC000629116759 1128897223 /nfs/dbraw/zinc/89/72/23/1128897223.db2.gz UKDDCUQPVYZWCJ-WUIGSMQYSA-N 0 1 275.377 3.625 20 0 CHADMN O=C(CN1CCCC1)N(C1CCCCC1)C1CCCCC1 ZINC000057828965 1120191471 /nfs/dbraw/zinc/19/14/71/1120191471.db2.gz NCXAIZFQTGTGPJ-UHFFFAOYSA-N 0 1 292.467 3.576 20 0 CHADMN Cc1cccnc1[C@@H](NCc1cnn(C2CCC2)c1)C(C)C ZINC000921744500 1120193253 /nfs/dbraw/zinc/19/32/53/1120193253.db2.gz DPOYFCSYKKANJT-KRWDZBQOSA-N 0 1 298.434 3.798 20 0 CHADMN CSc1cccc(CN(C)Cc2ccoc2C)c1 ZINC000659853296 1120193887 /nfs/dbraw/zinc/19/38/87/1120193887.db2.gz QGODIYWOXHCNRW-UHFFFAOYSA-N 0 1 261.390 3.942 20 0 CHADMN Clc1cccc(CCNCc2cscn2)c1Cl ZINC000060526851 1120200941 /nfs/dbraw/zinc/20/09/41/1120200941.db2.gz OBIPYCAGLHFGPJ-UHFFFAOYSA-N 0 1 287.215 3.782 20 0 CHADMN COc1cccc(CN[C@@H]2CCc3ccccc32)c1F ZINC000165806151 1120201542 /nfs/dbraw/zinc/20/15/42/1120201542.db2.gz KVGMQZVJZWPGDM-OAHLLOKOSA-N 0 1 271.335 3.611 20 0 CHADMN COc1cccc([C@H](C)NCc2cccc(OC)c2F)c1 ZINC000165883457 1120204335 /nfs/dbraw/zinc/20/43/35/1120204335.db2.gz LFTKRFPXVUBXNP-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1ccc(OC(C)C)cc1 ZINC000073006942 1120206714 /nfs/dbraw/zinc/20/67/14/1120206714.db2.gz CFJJRQDNRHJKKP-LBPRGKRZSA-N 0 1 288.391 3.929 20 0 CHADMN Cc1nc(CN2CCC[C@@H](Cc3ccc(C)cc3)C2)co1 ZINC000659861966 1120209608 /nfs/dbraw/zinc/20/96/08/1120209608.db2.gz LBAVIMHFWICWER-KRWDZBQOSA-N 0 1 284.403 3.746 20 0 CHADMN COc1ccc(Cl)c(C[N@H+]2CC3CCC2CC3)c1 ZINC001116771753 1120214087 /nfs/dbraw/zinc/21/40/87/1120214087.db2.gz VSJWOMOVZCTRHO-UHFFFAOYSA-N 0 1 265.784 3.723 20 0 CHADMN COC(=O)c1coc(CN2CCC[C@@H]2c2cccc(C)c2)c1 ZINC000338728794 1120218307 /nfs/dbraw/zinc/21/83/07/1120218307.db2.gz UAUQHVNMOORNEJ-QGZVFWFLSA-N 0 1 299.370 3.712 20 0 CHADMN CC[C@H](NCc1cn2c(cccc2C)n1)c1ccccc1 ZINC000178057207 1120225416 /nfs/dbraw/zinc/22/54/16/1120225416.db2.gz MVDGFLSHPFOBML-KRWDZBQOSA-N 0 1 279.387 3.884 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2cc3cc(F)ccc3s2)n1 ZINC000843147788 1120235060 /nfs/dbraw/zinc/23/50/60/1120235060.db2.gz GCOOCYIQLODODW-LBPRGKRZSA-N 0 1 291.351 3.746 20 0 CHADMN CCCC[C@H]1CCC[C@@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000110734882 1120236530 /nfs/dbraw/zinc/23/65/30/1120236530.db2.gz FNPDSFBZZWIOOO-JSGCOSHPSA-N 0 1 285.391 3.652 20 0 CHADMN CCCSC[C@@H](C)NCc1nc(C(C)C)cs1 ZINC000893153715 1120239498 /nfs/dbraw/zinc/23/94/98/1120239498.db2.gz WGEOJVGXCBICFS-LLVKDONJSA-N 0 1 272.483 3.888 20 0 CHADMN CC(C)Sc1ccc(-c2nc([C@@H](N)C(C)C)no2)cc1 ZINC000843148901 1120246186 /nfs/dbraw/zinc/24/61/86/1120246186.db2.gz YWDUYJFAHXHLAX-ZDUSSCGKSA-N 0 1 291.420 3.893 20 0 CHADMN C[C@H](Nc1cnc2cc(Br)ccn12)C(C)(C)C ZINC001168686380 1120247849 /nfs/dbraw/zinc/24/78/49/1120247849.db2.gz NSMSNMMXHHDEPD-VIFPVBQESA-N 0 1 296.212 3.943 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(Cl)s1 ZINC000271461013 1120254030 /nfs/dbraw/zinc/25/40/30/1120254030.db2.gz HJXPCHFUJRFDPK-WCBMZHEXSA-N 0 1 269.801 3.927 20 0 CHADMN CSc1ccc(Cl)c(-c2nc([C@@H](N)C(C)C)no2)c1 ZINC000843150629 1120254082 /nfs/dbraw/zinc/25/40/82/1120254082.db2.gz KRDCXSGCIYYMPW-NSHDSACASA-N 0 1 297.811 3.768 20 0 CHADMN Cc1cc(CCCc2nc([C@H](N)C(C)C)no2)c(C)s1 ZINC000843149276 1120254206 /nfs/dbraw/zinc/25/42/06/1120254206.db2.gz LPGAHACDBRHVPB-CQSZACIVSA-N 0 1 293.436 3.579 20 0 CHADMN CCc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2)cc1 ZINC000007380560 1120260206 /nfs/dbraw/zinc/26/02/06/1120260206.db2.gz VOOLHUPJPMTIDM-HNNXBMFYSA-N 0 1 296.414 3.708 20 0 CHADMN CN1Cc2ccc(NCc3ccc4c(c3)CCCO4)cc2C1 ZINC000921878929 1120261993 /nfs/dbraw/zinc/26/19/93/1120261993.db2.gz PMNDKRIPVIRPLJ-UHFFFAOYSA-N 0 1 294.398 3.569 20 0 CHADMN CC(C)[N@@H+](Cc1cccc(N(C)C)c1)Cc1ccccn1 ZINC000075642885 1120263526 /nfs/dbraw/zinc/26/35/26/1120263526.db2.gz WBUBQFYNQWHDKC-UHFFFAOYSA-N 0 1 283.419 3.558 20 0 CHADMN C[C@@H](Sc1nc(N)cc(N)n1)c1cccc2ccccc21 ZINC000063415971 1120264656 /nfs/dbraw/zinc/26/46/56/1120264656.db2.gz NCCFZDXAJKQTIS-SNVBAGLBSA-N 0 1 296.399 3.648 20 0 CHADMN Cc1cn(C)nc1CN(C(C)C)[C@@H](C)c1ccccc1 ZINC000930537465 1120266387 /nfs/dbraw/zinc/26/63/87/1120266387.db2.gz AJNOGABWLJQHKG-HNNXBMFYSA-N 0 1 271.408 3.700 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000007786515 1120268233 /nfs/dbraw/zinc/26/82/33/1120268233.db2.gz MNVGHJFWADJITL-UHFFFAOYSA-N 0 1 294.826 3.851 20 0 CHADMN Fc1ccccc1[C@H]1C[N@@H+](C[C@H]2CC=CCC2)CCO1 ZINC000092975085 1120273553 /nfs/dbraw/zinc/27/35/53/1120273553.db2.gz LIFFICOOOXHIHJ-WMLDXEAASA-N 0 1 275.367 3.555 20 0 CHADMN Fc1ccccc1[C@H]1CN(C[C@H]2CC=CCC2)CCO1 ZINC000092975085 1120273557 /nfs/dbraw/zinc/27/35/57/1120273557.db2.gz LIFFICOOOXHIHJ-WMLDXEAASA-N 0 1 275.367 3.555 20 0 CHADMN CC(C)N(Cc1ncc(-c2ccccc2F)o1)C1CC1 ZINC000172746232 1120274358 /nfs/dbraw/zinc/27/43/58/1120274358.db2.gz JVZLODRVICMWHG-UHFFFAOYSA-N 0 1 274.339 3.854 20 0 CHADMN Cc1cc(C)c(CSc2nc(C(C)(C)C)n[nH]2)c(C)n1 ZINC000631007925 1120276676 /nfs/dbraw/zinc/27/66/76/1120276676.db2.gz SFAIJQLRHVDQPI-UHFFFAOYSA-N 0 1 290.436 3.715 20 0 CHADMN c1c(CN2CCCc3ccccc3C2)onc1C1CC1 ZINC000659908669 1120277681 /nfs/dbraw/zinc/27/76/81/1120277681.db2.gz RFYAXAIGXWIUKU-UHFFFAOYSA-N 0 1 268.360 3.500 20 0 CHADMN CCN(Cc1cc(OC)ccn1)[C@@H](C)c1ccc(F)cc1 ZINC000106933786 1120281868 /nfs/dbraw/zinc/28/18/68/1120281868.db2.gz UYUULOZZWVOLMV-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN Cc1occc1CNCc1cccc(OC(F)(F)F)c1 ZINC000076398017 1120282868 /nfs/dbraw/zinc/28/28/68/1120282868.db2.gz PPRIGEHNGSLQPZ-UHFFFAOYSA-N 0 1 285.265 3.776 20 0 CHADMN Cn1ccnc1[C@@H](N[C@@H]1CCC12CCC2)c1ccc(F)cc1 ZINC000282318423 1120284164 /nfs/dbraw/zinc/28/41/64/1120284164.db2.gz UEVSFOWYROBANA-CVEARBPZSA-N 0 1 299.393 3.571 20 0 CHADMN Cc1cccc(CCCNc2cc[nH+]c3c([O-])cccc23)n1 ZINC000672320192 1120288863 /nfs/dbraw/zinc/28/88/63/1120288863.db2.gz MHIRYZYWUWDDIW-UHFFFAOYSA-N 0 1 293.370 3.689 20 0 CHADMN CC(C)(C)c1coc(CNC2(C)Cc3ccccc3C2)n1 ZINC000921956638 1120304263 /nfs/dbraw/zinc/30/42/63/1120304263.db2.gz JQCYZBKGWIIOPH-UHFFFAOYSA-N 0 1 284.403 3.619 20 0 CHADMN Cc1ccc(-c2ccc3nc(C(F)(F)F)[nH]c3c2)cn1 ZINC001240223433 1120305605 /nfs/dbraw/zinc/30/56/05/1120305605.db2.gz PLSPTRGTKAMWDX-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccccc3)[C@@H](C)C2)c(C)o1 ZINC000659955707 1120308407 /nfs/dbraw/zinc/30/84/07/1120308407.db2.gz MHVABVFWTSOJOD-SUMWQHHRSA-N 0 1 284.403 3.917 20 0 CHADMN CC(C)(CNCc1nnc(C2CC2)s1)C1CCCC1 ZINC000893223010 1120318123 /nfs/dbraw/zinc/31/81/23/1120318123.db2.gz AEFRFFUSKDPJEZ-UHFFFAOYSA-N 0 1 279.453 3.722 20 0 CHADMN c1csc(CC2CN(Cc3cc4ccccc4[nH]3)C2)c1 ZINC000628478706 1120321535 /nfs/dbraw/zinc/32/15/35/1120321535.db2.gz MMMCBNGOHCRAAN-UHFFFAOYSA-N 0 1 282.412 3.904 20 0 CHADMN CC(C)C[C@@H](O)CNCc1csc(Cl)c1Cl ZINC000309541078 1120322177 /nfs/dbraw/zinc/32/21/77/1120322177.db2.gz DTSIETXXQBWLIF-SECBINFHSA-N 0 1 282.236 3.552 20 0 CHADMN C[C@@H]1CN(Cc2cnc3ccccc3n2)[C@H]1c1ccccc1 ZINC000659986470 1120326068 /nfs/dbraw/zinc/32/60/68/1120326068.db2.gz LDMNOBKXMZEXKO-AUUYWEPGSA-N 0 1 289.382 3.823 20 0 CHADMN c1cc2c(s1)CCC[C@@H]2NCc1cnn(C2CCC2)c1 ZINC000922003559 1120328517 /nfs/dbraw/zinc/32/85/17/1120328517.db2.gz HOXKLCLLYGANQD-HNNXBMFYSA-N 0 1 287.432 3.837 20 0 CHADMN CC(C)c1cccc(CNCc2cccc3[nH]c(=O)oc32)c1 ZINC000922010945 1120330779 /nfs/dbraw/zinc/33/07/79/1120330779.db2.gz QWUUNIYQBCCPFP-UHFFFAOYSA-N 0 1 296.370 3.947 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc([C@H](C)c2cccs2)no1 ZINC000843188305 1120330942 /nfs/dbraw/zinc/33/09/42/1120330942.db2.gz APNSOWMUFAUPRC-MNOVXSKESA-N 0 1 293.436 3.980 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CN(C)Cc3ccccc32)oc1C ZINC000368522176 1120332931 /nfs/dbraw/zinc/33/29/31/1120332931.db2.gz LXZFGYRGXLDHME-SUMWQHHRSA-N 0 1 284.403 3.734 20 0 CHADMN C[C@H](CCc1ccccc1F)N[C@H]1CCCC1(F)F ZINC000672620387 1120334218 /nfs/dbraw/zinc/33/42/18/1120334218.db2.gz MFHCQNWECNQSEU-RISCZKNCSA-N 0 1 271.326 3.924 20 0 CHADMN CCc1ccc([C@@H]2CCN(Cc3nc(C)c(C)[nH]3)C2)cc1 ZINC000628293134 1120334241 /nfs/dbraw/zinc/33/42/41/1120334241.db2.gz NFOOXTMEJXZJPT-QGZVFWFLSA-N 0 1 283.419 3.578 20 0 CHADMN FC(F)C1CCC(N[C@@H]2CCCC2(F)F)CC1 ZINC000672621455 1120335412 /nfs/dbraw/zinc/33/54/12/1120335412.db2.gz YADVOWCXZSDQIM-UDNWOFFPSA-N 0 1 253.283 3.588 20 0 CHADMN CN(CCC#N)c1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000069835933 1128909074 /nfs/dbraw/zinc/90/90/74/1128909074.db2.gz KJOZLYGCBOHZQF-UHFFFAOYSA-N 0 1 294.333 3.719 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000629374584 1128909111 /nfs/dbraw/zinc/90/91/11/1128909111.db2.gz XNDXKDKPHWCLLB-VGWMRTNUSA-N 0 1 281.440 3.778 20 0 CHADMN CC[C@@H](CC(F)F)CN1CCO[C@H](c2cccs2)C1 ZINC000660006052 1120339095 /nfs/dbraw/zinc/33/90/95/1120339095.db2.gz YGJNKESSUKSQGQ-RYUDHWBXSA-N 0 1 289.391 3.803 20 0 CHADMN Cc1cncc(CNCc2ccccc2N2CCCCC2)c1 ZINC000893248889 1120339796 /nfs/dbraw/zinc/33/97/96/1120339796.db2.gz MDUYJDFGVAEULJ-UHFFFAOYSA-N 0 1 295.430 3.670 20 0 CHADMN C[C@@H](NCc1cccc2c1OCC2)c1ccc(Cl)nc1 ZINC000922047857 1120347671 /nfs/dbraw/zinc/34/76/71/1120347671.db2.gz PAHAOHRATXRCCF-LLVKDONJSA-N 0 1 288.778 3.521 20 0 CHADMN Cc1cc(CN([C@H](C)c2ccccc2)C2CC2)nc(C)n1 ZINC000660042400 1120350493 /nfs/dbraw/zinc/35/04/93/1120350493.db2.gz HNXJDHAEHDHSRL-CQSZACIVSA-N 0 1 281.403 3.819 20 0 CHADMN FC(F)(F)[C@@H]1CCN(Cc2cccnc2)CC12CCC2 ZINC000282326424 1120353805 /nfs/dbraw/zinc/35/38/05/1120353805.db2.gz AMGPAGYHIYEFCH-CYBMUJFWSA-N 0 1 284.325 3.636 20 0 CHADMN c1cc(CNCc2ccc(OCc3ccccn3)cc2)co1 ZINC000069833148 1128910715 /nfs/dbraw/zinc/91/07/15/1128910715.db2.gz WWLHPIIZMRNZRL-UHFFFAOYSA-N 0 1 294.354 3.543 20 0 CHADMN CSCCNCc1cc(Cl)sc1Cl ZINC000312599274 1120369751 /nfs/dbraw/zinc/36/97/51/1120369751.db2.gz JRVAJVMJCMAMQT-UHFFFAOYSA-N 0 1 256.223 3.508 20 0 CHADMN Cc1cccc(C[N@@H+](C)CCc2nsc3ccccc23)n1 ZINC000660082365 1120370017 /nfs/dbraw/zinc/37/00/17/1120370017.db2.gz YRFMLQIFLHIDQK-UHFFFAOYSA-N 0 1 297.427 3.674 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)NC2(C)CCCCC2)o1 ZINC000618426140 1128912192 /nfs/dbraw/zinc/91/21/92/1128912192.db2.gz ZJTSFELKYPJRAB-UHFFFAOYSA-N 0 1 292.423 3.574 20 0 CHADMN COc1ccc(-c2nc(CN[C@H]3CC3(C)C)cs2)cc1 ZINC000618467982 1128913356 /nfs/dbraw/zinc/91/33/56/1128913356.db2.gz KMISADHTNUUPGZ-AWEZNQCLSA-N 0 1 288.416 3.707 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000584590322 1120395086 /nfs/dbraw/zinc/39/50/86/1120395086.db2.gz WWHMDPNOAWPTHQ-JKIFEVAISA-N 0 1 289.419 3.914 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1cnc(C2CC2)o1 ZINC000628296143 1120396878 /nfs/dbraw/zinc/39/68/78/1120396878.db2.gz XCORPRQOSOKEED-UHFFFAOYSA-N 0 1 270.376 3.885 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2c(C)noc2C)s1 ZINC000078679647 1120399125 /nfs/dbraw/zinc/39/91/25/1120399125.db2.gz YVPPSJARFVIWDE-VIFPVBQESA-N 0 1 264.394 3.766 20 0 CHADMN CSc1ccc(CN[C@@H]2CCc3ccc(F)cc32)o1 ZINC000641719642 1120399374 /nfs/dbraw/zinc/39/93/74/1120399374.db2.gz YRMWCJDRJNHTLL-CQSZACIVSA-N 0 1 277.364 3.918 20 0 CHADMN Fc1cccc(CN2CC[C@H](C3CC3)C2)c1OC(F)F ZINC000660152888 1120401111 /nfs/dbraw/zinc/40/11/11/1120401111.db2.gz CCVWRRMOCJBEKG-NSHDSACASA-N 0 1 285.309 3.659 20 0 CHADMN CSCCCN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511609257 1120408156 /nfs/dbraw/zinc/40/81/56/1120408156.db2.gz GMEQKEYVZURADE-CYBMUJFWSA-N 0 1 255.814 3.840 20 0 CHADMN Cc1c([C@@H](C)N[C@@H](C)c2cnccc2C)cnn1C(C)C ZINC000682493681 1120414843 /nfs/dbraw/zinc/41/48/43/1120414843.db2.gz HWCZCPXPFSQAIN-UONOGXRCSA-N 0 1 286.423 3.888 20 0 CHADMN C[C@H]1c2ccccc2C[N@H+]1Cc1ccc2nc[nH]c2c1 ZINC000543103450 1120420126 /nfs/dbraw/zinc/42/01/26/1120420126.db2.gz HPSZUUXMHRRUNQ-LBPRGKRZSA-N 0 1 263.344 3.640 20 0 CHADMN C[C@H]1c2ccccc2C[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC000543103450 1120420128 /nfs/dbraw/zinc/42/01/28/1120420128.db2.gz HPSZUUXMHRRUNQ-LBPRGKRZSA-N 0 1 263.344 3.640 20 0 CHADMN C[C@H]1c2ccccc2CN1Cc1ccc2[nH]cnc2c1 ZINC000543103450 1120420129 /nfs/dbraw/zinc/42/01/29/1120420129.db2.gz HPSZUUXMHRRUNQ-LBPRGKRZSA-N 0 1 263.344 3.640 20 0 CHADMN C[C@H]1c2ccccc2CN1Cc1ccc2nc[nH]c2c1 ZINC000543103450 1120420130 /nfs/dbraw/zinc/42/01/30/1120420130.db2.gz HPSZUUXMHRRUNQ-LBPRGKRZSA-N 0 1 263.344 3.640 20 0 CHADMN CC[C@H]1c2ccsc2CC[N@@H+]1CCCCCC(=O)[O-] ZINC000584724410 1120421588 /nfs/dbraw/zinc/42/15/88/1120421588.db2.gz BXEUHHHYXKPPRX-ZDUSSCGKSA-N 0 1 281.421 3.702 20 0 CHADMN O=C(CCN(Cc1cccs1)C1CC1)c1ccccc1 ZINC000053931963 1120427524 /nfs/dbraw/zinc/42/75/24/1120427524.db2.gz IJEPMRKLDANTCY-UHFFFAOYSA-N 0 1 285.412 3.986 20 0 CHADMN c1ccc2c(c1)COC[C@@H]2N[C@@H]1CCCOc2ccccc21 ZINC000417358004 1120435579 /nfs/dbraw/zinc/43/55/79/1120435579.db2.gz HAEBBZLQMONPHA-MSOLQXFVSA-N 0 1 295.382 3.761 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](C)NCc1cnc2n1CCC2 ZINC000657314710 1120435993 /nfs/dbraw/zinc/43/59/93/1120435993.db2.gz BEZKJDCVYWXNSB-CYBMUJFWSA-N 0 1 295.386 3.735 20 0 CHADMN C[C@@H]1Cc2ccc(F)cc2[C@H]1N[C@@H]1COCc2ccccc21 ZINC000417360437 1120436555 /nfs/dbraw/zinc/43/65/55/1120436555.db2.gz JTPWMZRPHPKOGJ-DPMMWBKBSA-N 0 1 297.373 3.920 20 0 CHADMN CO[C@H](CN[C@H](C)c1nc2c(s1)CCCC2)CC(C)C ZINC000417367959 1120438466 /nfs/dbraw/zinc/43/84/66/1120438466.db2.gz OILJVUURBDENNS-OLZOCXBDSA-N 0 1 296.480 3.734 20 0 CHADMN CCC[C@@H](N[C@@H]1COCc2ccccc21)c1cccnc1 ZINC000417367653 1120438496 /nfs/dbraw/zinc/43/84/96/1120438496.db2.gz QCRJMWXMDUXZDF-QZTJIDSGSA-N 0 1 282.387 3.784 20 0 CHADMN c1ccc(SCCN2CCOc3ccccc3C2)cc1 ZINC000079618561 1120443597 /nfs/dbraw/zinc/44/35/97/1120443597.db2.gz PHXAZHOBMKPOFH-UHFFFAOYSA-N 0 1 285.412 3.673 20 0 CHADMN Cc1ccc([C@H](C)CN2CC(C)(C)[C@H]2c2nccn2C)cc1 ZINC000628298207 1120449596 /nfs/dbraw/zinc/44/95/96/1120449596.db2.gz XQCIOWQOTSHQQK-NVXWUHKLSA-N 0 1 297.446 3.915 20 0 CHADMN CC(C)CC[N@@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000079917884 1120450831 /nfs/dbraw/zinc/45/08/31/1120450831.db2.gz WQJIVKIRDLDIGK-UHFFFAOYSA-N 0 1 276.355 3.959 20 0 CHADMN CC(C)CCN(C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000079917884 1120450835 /nfs/dbraw/zinc/45/08/35/1120450835.db2.gz WQJIVKIRDLDIGK-UHFFFAOYSA-N 0 1 276.355 3.959 20 0 CHADMN COC[C@H]1CCCCN([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000364145571 1120456006 /nfs/dbraw/zinc/45/60/06/1120456006.db2.gz DQCACJRTXLSBEX-KBPBESRZSA-N 0 1 294.439 3.782 20 0 CHADMN CC(C)C[C@H](C)CC(=O)NC[C@H](c1cccs1)N(C)C ZINC000067900726 1120456241 /nfs/dbraw/zinc/45/62/41/1120456241.db2.gz ZOKYEAMOWIEIDX-UONOGXRCSA-N 0 1 296.480 3.539 20 0 CHADMN Clc1ccccc1CCCN1CCOC2(CCC2)C1 ZINC000543194999 1120459092 /nfs/dbraw/zinc/45/90/92/1120459092.db2.gz AIOBHVVWHDIVGN-UHFFFAOYSA-N 0 1 279.811 3.528 20 0 CHADMN Cn1cc(Cl)cc1C[N@@H+](C)CCc1cccc(F)c1F ZINC000543208604 1120464207 /nfs/dbraw/zinc/46/42/07/1120464207.db2.gz UYJMIVBIHXIPQU-UHFFFAOYSA-N 0 1 298.764 3.631 20 0 CHADMN CN(CCc1cccc(F)c1F)Cc1cc(Cl)cn1C ZINC000543208604 1120464208 /nfs/dbraw/zinc/46/42/08/1120464208.db2.gz UYJMIVBIHXIPQU-UHFFFAOYSA-N 0 1 298.764 3.631 20 0 CHADMN COc1cccc(CN2CCCC[C@H]2c2ccccc2)n1 ZINC000358033558 1120467165 /nfs/dbraw/zinc/46/71/65/1120467165.db2.gz DTRADEWDBRHLPB-KRWDZBQOSA-N 0 1 282.387 3.817 20 0 CHADMN Cc1ccccc1C1(NCc2ccnn2C2CCC2)CC1 ZINC000922209226 1120468285 /nfs/dbraw/zinc/46/82/85/1120468285.db2.gz JLXXSKGEWHNLRU-UHFFFAOYSA-N 0 1 281.403 3.695 20 0 CHADMN c1cc(CNCc2n[nH]c(C3CC3)n2)cc(C2CCCC2)c1 ZINC000657479811 1120470751 /nfs/dbraw/zinc/47/07/51/1120470751.db2.gz WMSMWSLMDVYNJJ-UHFFFAOYSA-N 0 1 296.418 3.630 20 0 CHADMN CCCCc1noc(CN2CC[C@H](c3cccc(C)c3)C2)n1 ZINC000543247406 1120474801 /nfs/dbraw/zinc/47/48/01/1120474801.db2.gz QDCQSRAQYUEIQP-INIZCTEOSA-N 0 1 299.418 3.710 20 0 CHADMN CCOC1(CN[C@H](C)c2nc(C)sc2C)CCCC1 ZINC000311798098 1120478670 /nfs/dbraw/zinc/47/86/70/1120478670.db2.gz BGOCUTWUNDVSCC-LLVKDONJSA-N 0 1 282.453 3.760 20 0 CHADMN Cc1nc(CN2CC[C@H](C)C3(CCCCC3)C2)co1 ZINC000660285844 1120484205 /nfs/dbraw/zinc/48/42/05/1120484205.db2.gz FSMPMMZHDXTITI-ZDUSSCGKSA-N 0 1 262.397 3.775 20 0 CHADMN CC(C)=CCCN1CCC[C@@H]1c1csc(C)n1 ZINC000660309694 1120490478 /nfs/dbraw/zinc/49/04/78/1120490478.db2.gz IKSBJRISXBUSFH-CQSZACIVSA-N 0 1 250.411 3.945 20 0 CHADMN c1cc(CN2CCC[C@@H]2c2cccc3ccccc32)n[nH]1 ZINC000092477599 1128919832 /nfs/dbraw/zinc/91/98/32/1128919832.db2.gz JFWCABYKDZIFNO-GOSISDBHSA-N 0 1 277.371 3.900 20 0 CHADMN CO[C@H](c1ccccc1)[C@H](C)N[C@H](C)c1cscn1 ZINC000572543525 1128919996 /nfs/dbraw/zinc/91/99/96/1128919996.db2.gz MARPFEKEOSFVBG-XUJVJEKNSA-N 0 1 276.405 3.570 20 0 CHADMN CC[C@H](CN(CC)Cc1coc(C)n1)c1ccccc1 ZINC000660319765 1120496360 /nfs/dbraw/zinc/49/63/60/1120496360.db2.gz GRNJVCGJYFHVQI-OAHLLOKOSA-N 0 1 272.392 3.999 20 0 CHADMN CCN(CCC1CC1)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000545519823 1120500828 /nfs/dbraw/zinc/50/08/28/1120500828.db2.gz YOJPFCXJBCIJPG-CQSZACIVSA-N 0 1 299.418 3.843 20 0 CHADMN CC[C@@H](C)N1CCc2cccc(Br)c2C1 ZINC000500074295 1120503769 /nfs/dbraw/zinc/50/37/69/1120503769.db2.gz JRBUXZPPPSKHFL-SNVBAGLBSA-N 0 1 268.198 3.606 20 0 CHADMN Cc1cc([C@H](N[C@H](C)c2cn(C)cn2)C2CC2)ccc1F ZINC000925643333 1120506528 /nfs/dbraw/zinc/50/65/28/1120506528.db2.gz IENAREAGSHTGQU-SJKOYZFVSA-N 0 1 287.382 3.670 20 0 CHADMN Clc1ccnc2c1CC[C@H]2N[C@@H](c1cccnc1)C1CC1 ZINC000925642363 1120506594 /nfs/dbraw/zinc/50/65/94/1120506594.db2.gz GINLJZZICFOOGS-HZPDHXFCSA-N 0 1 299.805 3.858 20 0 CHADMN COc1ccccc1CNCc1ccc(Cl)s1 ZINC000020040954 1120512093 /nfs/dbraw/zinc/51/20/93/1120512093.db2.gz PLOHJIXJAITFPQ-UHFFFAOYSA-N 0 1 267.781 3.700 20 0 CHADMN CCC1(CN[C@@H](c2ccc(F)cc2)c2cnccn2)CCC1 ZINC000543404766 1120512629 /nfs/dbraw/zinc/51/26/29/1120512629.db2.gz UHGYDIGUHRNWPH-KRWDZBQOSA-N 0 1 299.393 3.875 20 0 CHADMN CN(CCc1ccccc1O)Cc1cc(Cl)ccc1F ZINC000543410787 1120514163 /nfs/dbraw/zinc/51/41/63/1120514163.db2.gz XVMQOVDTRJVNDV-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN C[C@@H](NCc1cccc(CO)c1)c1csc(Cl)c1 ZINC000191270132 1120517858 /nfs/dbraw/zinc/51/78/58/1120517858.db2.gz SWPPGINLDZLNJS-SNVBAGLBSA-N 0 1 281.808 3.745 20 0 CHADMN CC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2O)c1 ZINC000019807249 1120525925 /nfs/dbraw/zinc/52/59/25/1120525925.db2.gz SYRBCYHJJNXLLW-UHFFFAOYSA-N 0 1 289.718 3.501 20 0 CHADMN Cc1cc([C@H](C)NC[C@H](C)Sc2ccccc2)nn1C ZINC000282358349 1120531472 /nfs/dbraw/zinc/53/14/72/1120531472.db2.gz WASMBEMUORBNIX-KBPBESRZSA-N 0 1 289.448 3.560 20 0 CHADMN FC(F)(F)c1cnc(CNCC[C@@H]2CC[C@@H]3C[C@@H]32)s1 ZINC000922431367 1120537820 /nfs/dbraw/zinc/53/78/20/1120537820.db2.gz JMEBDFGYNNERHB-IVZWLZJFSA-N 0 1 290.354 3.688 20 0 CHADMN C[C@H](CCc1ccccc1)N[C@@H]1CCCC1(F)F ZINC000397972503 1120538636 /nfs/dbraw/zinc/53/86/36/1120538636.db2.gz UJLRFIGUHPZWFF-TZMCWYRMSA-N 0 1 253.336 3.785 20 0 CHADMN CC[N@@H+](Cc1nc(C)oc1C)[C@H]1CCCC[C@@H]1C ZINC000660368671 1120540223 /nfs/dbraw/zinc/54/02/23/1120540223.db2.gz VGLDZRIAOPGGHD-NHYWBVRUSA-N 0 1 250.386 3.692 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccccc2OC)cc1 ZINC000019909021 1120544645 /nfs/dbraw/zinc/54/46/45/1120544645.db2.gz MSCWDPZRNKQELX-ZDUSSCGKSA-N 0 1 271.360 3.555 20 0 CHADMN Fc1cc(CN[C@@H](c2ccccn2)C2CC2)cc(F)c1F ZINC000922584826 1120556637 /nfs/dbraw/zinc/55/66/37/1120556637.db2.gz BFDHJLOCYHNRAN-MRXNPFEDSA-N 0 1 292.304 3.740 20 0 CHADMN Fc1ccc(CN[C@@H](c2ccccn2)C2CC2)cc1F ZINC000922585049 1120557206 /nfs/dbraw/zinc/55/72/06/1120557206.db2.gz HVWGOIYYXAXUFU-MRXNPFEDSA-N 0 1 274.314 3.601 20 0 CHADMN CC(C)n1ccnc1CN[C@@H](C)COCC1CCCCC1 ZINC000922602200 1120562385 /nfs/dbraw/zinc/56/23/85/1120562385.db2.gz JVMGGLPJOUOYDE-HNNXBMFYSA-N 0 1 293.455 3.539 20 0 CHADMN CCc1cccc(CNCc2cccc(OC)c2F)c1 ZINC000652032909 1120564310 /nfs/dbraw/zinc/56/43/10/1120564310.db2.gz LWUJHNSTCBHNLS-UHFFFAOYSA-N 0 1 273.351 3.687 20 0 CHADMN CC[C@H](NCc1ccncc1C)c1cc(F)ccc1OC ZINC000922623927 1120566016 /nfs/dbraw/zinc/56/60/16/1120566016.db2.gz XFDFSZQSNIIRLS-INIZCTEOSA-N 0 1 288.366 3.779 20 0 CHADMN Cc1nc([C@H](C)NC[C@H]2CCCC2(F)F)cs1 ZINC000390564398 1120566686 /nfs/dbraw/zinc/56/66/86/1120566686.db2.gz BBGLXYRCSXIZOS-WCBMZHEXSA-N 0 1 260.353 3.538 20 0 CHADMN COc1ncc(CNCc2ccc(C(C)C)cc2)s1 ZINC000388415952 1120567728 /nfs/dbraw/zinc/56/77/28/1120567728.db2.gz LGMHBUGUDHPFHY-UHFFFAOYSA-N 0 1 276.405 3.565 20 0 CHADMN CCC(CC)(NCc1cn(C)cn1)c1ccc(Cl)cc1 ZINC000673602192 1120568929 /nfs/dbraw/zinc/56/89/29/1120568929.db2.gz NZRMPMXEPSRWAP-UHFFFAOYSA-N 0 1 291.826 3.879 20 0 CHADMN CC(C)c1nnc(CN[C@H]2C[C@@H]2C2CCCCC2)s1 ZINC000893356210 1120574281 /nfs/dbraw/zinc/57/42/81/1120574281.db2.gz KTNDXNALIMMVFN-OLZOCXBDSA-N 0 1 279.453 3.720 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1cnc(C2CC2)nc1 ZINC000922667666 1120574911 /nfs/dbraw/zinc/57/49/11/1120574911.db2.gz QODOOJNGAFDHPA-GFCCVEGCSA-N 0 1 285.366 3.652 20 0 CHADMN COc1ccc([C@H](C)NCc2cnc(C)s2)cc1C ZINC000922672060 1120575004 /nfs/dbraw/zinc/57/50/04/1120575004.db2.gz KLWRRGBOHZFUEG-NSHDSACASA-N 0 1 276.405 3.619 20 0 CHADMN Cc1nc(CN2CCCC3(CCCCC3)CC2)co1 ZINC000660390946 1120575362 /nfs/dbraw/zinc/57/53/62/1120575362.db2.gz YRJDAAYTJXGQJT-UHFFFAOYSA-N 0 1 262.397 3.919 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1ccnn1C1CCC1 ZINC000922665572 1120575754 /nfs/dbraw/zinc/57/57/54/1120575754.db2.gz ONWSQQJXUUZXFW-ZDUSSCGKSA-N 0 1 287.382 3.906 20 0 CHADMN COc1ccc([C@H](C)NCc2cn3ccccc3n2)cc1C ZINC000922672761 1120578292 /nfs/dbraw/zinc/57/82/92/1120578292.db2.gz XLUKGURMXBTFBI-AWEZNQCLSA-N 0 1 295.386 3.502 20 0 CHADMN COc1ccc(OC)c(CN[C@@H](C)c2ccc(F)cc2)c1 ZINC000020095811 1120584052 /nfs/dbraw/zinc/58/40/52/1120584052.db2.gz DPBSBXBCLDQDHJ-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN CCCOc1ccc2c(c1)CC[N@H+](CC[C@H](C)F)C2 ZINC000509005593 1120584982 /nfs/dbraw/zinc/58/49/82/1120584982.db2.gz DXMRGLKSSUWRQS-ZDUSSCGKSA-N 0 1 265.372 3.582 20 0 CHADMN CCCOc1ccc2c(c1)CC[N@H+](CC[C@@H](C)F)C2 ZINC000509005590 1120584954 /nfs/dbraw/zinc/58/49/54/1120584954.db2.gz DXMRGLKSSUWRQS-CYBMUJFWSA-N 0 1 265.372 3.582 20 0 CHADMN C[C@@H]1CC[C@@H](N(C)Cc2nc(C3CC3)cs2)C1 ZINC000429577985 1120585688 /nfs/dbraw/zinc/58/56/88/1120585688.db2.gz HLQIXKYNHCTKHA-ZYHUDNBSSA-N 0 1 250.411 3.641 20 0 CHADMN CC[C@H]1C[C@]1(NCc1cc(C)ncn1)c1cccc(C)c1 ZINC000428958938 1120586297 /nfs/dbraw/zinc/58/62/97/1120586297.db2.gz FJRZJJQWXKPILA-MAUKXSAKSA-N 0 1 281.403 3.508 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)C12CC(C1)C2 ZINC000624965432 1120588392 /nfs/dbraw/zinc/58/83/92/1120588392.db2.gz XADAEMJVINGMFV-UHFFFAOYSA-N 0 1 281.359 3.569 20 0 CHADMN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NCc1cccc2cc[nH]c21 ZINC000673614925 1120597536 /nfs/dbraw/zinc/59/75/36/1120597536.db2.gz NKGHGPYSVVQBSQ-APPDUMDISA-N 0 1 296.345 3.919 20 0 CHADMN Cc1nc2cc(CNc3ccnc4c3ccn4C)ccc2o1 ZINC001167761344 1120599851 /nfs/dbraw/zinc/59/98/51/1120599851.db2.gz VJOANHWEZRGDEL-UHFFFAOYSA-N 0 1 292.342 3.635 20 0 CHADMN CN1CCN(c2ccc(-c3ccccc3Cl)cc2)CC1 ZINC001222436674 1120600079 /nfs/dbraw/zinc/60/00/79/1120600079.db2.gz ACGQJSCSIONZJE-UHFFFAOYSA-N 0 1 286.806 3.759 20 0 CHADMN Cc1cc(C)cc(CN(C)[C@H](C)c2cnc(C)cn2)c1 ZINC000428987930 1120601190 /nfs/dbraw/zinc/60/11/90/1120601190.db2.gz ZFWGYQDMAFUBTG-OAHLLOKOSA-N 0 1 269.392 3.595 20 0 CHADMN CCCCOc1ccc(CN[C@H](C)CF)cc1OCC ZINC000673619484 1120604644 /nfs/dbraw/zinc/60/46/44/1120604644.db2.gz NDQDRHLGXVEYDS-CYBMUJFWSA-N 0 1 283.387 3.712 20 0 CHADMN CCc1ccc(CN(Cc2ccc(OC)cc2)C2CC2)nc1 ZINC000338883730 1120609460 /nfs/dbraw/zinc/60/94/60/1120609460.db2.gz NXEHXAGJPLLFPM-UHFFFAOYSA-N 0 1 296.414 3.817 20 0 CHADMN CCO[C@@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 ZINC000156030131 1120612948 /nfs/dbraw/zinc/61/29/48/1120612948.db2.gz SACKBHFIGICLLY-CYBMUJFWSA-N 0 1 287.325 3.706 20 0 CHADMN C[C@@H]1c2ccsc2CCN1CCOc1cccc(F)c1 ZINC000509042774 1120613200 /nfs/dbraw/zinc/61/32/00/1120613200.db2.gz XZJIAPGLRJTYQE-GFCCVEGCSA-N 0 1 291.391 3.885 20 0 CHADMN Cc1ccc(F)cc1CN[C@@H]1CCCc2cccnc21 ZINC000922877744 1120615706 /nfs/dbraw/zinc/61/57/06/1120615706.db2.gz RYNCRVHVTJGPKH-MRXNPFEDSA-N 0 1 270.351 3.696 20 0 CHADMN CCc1cc(CN[C@@H](C)c2cc(C)c(F)c(C)c2)[nH]n1 ZINC000766003015 1120617304 /nfs/dbraw/zinc/61/73/04/1120617304.db2.gz NNNLKOHDGLQLSH-LBPRGKRZSA-N 0 1 275.371 3.579 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3cccnc32)c(C)s1 ZINC000922882120 1120618446 /nfs/dbraw/zinc/61/84/46/1120618446.db2.gz POVQSNGXBFGRIP-HNNXBMFYSA-N 0 1 272.417 3.927 20 0 CHADMN Cc1ccc(CN2CCO[C@]3(CCc4ccccc43)C2)s1 ZINC000093638017 1120618601 /nfs/dbraw/zinc/61/86/01/1120618601.db2.gz YZEAQYJBHLPHEG-GOSISDBHSA-N 0 1 299.439 3.730 20 0 CHADMN c1c2ccccc2[nH]c1CN[C@H]1CCCc2cccnc21 ZINC000922884203 1120620734 /nfs/dbraw/zinc/62/07/34/1120620734.db2.gz PVTDIHYWVPLBKT-KRWDZBQOSA-N 0 1 277.371 3.730 20 0 CHADMN CC(C)[C@@H]1CCC2=NN(c3ncccc3Cl)C(=O)[C@@H]2C1 ZINC000634594752 1128929144 /nfs/dbraw/zinc/92/91/44/1128929144.db2.gz GKZYKVDOWKKZNC-GHMZBOCLSA-N 0 1 291.782 3.510 20 0 CHADMN COCCCN1CCCC[C@H]1c1ccc(F)cc1F ZINC000432012253 1120626868 /nfs/dbraw/zinc/62/68/68/1120626868.db2.gz LQVLXYDVWUGINU-HNNXBMFYSA-N 0 1 269.335 3.528 20 0 CHADMN CCO[C@H](CN(C)Cc1nc2ccccc2s1)C1CC1 ZINC000625064387 1120628515 /nfs/dbraw/zinc/62/85/15/1120628515.db2.gz DEOCQHBKQCMHSR-CQSZACIVSA-N 0 1 290.432 3.543 20 0 CHADMN C[C@H](C1CC1)N(Cc1ccncc1Br)C1CC1 ZINC000625083537 1120631763 /nfs/dbraw/zinc/63/17/63/1120631763.db2.gz GOWRVPOAAFQRAP-SNVBAGLBSA-N 0 1 295.224 3.607 20 0 CHADMN CCC1(CC)CCCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000618671436 1128929500 /nfs/dbraw/zinc/92/95/00/1128929500.db2.gz IGSQHCMVIPPWLN-UHFFFAOYSA-N 0 1 277.412 3.576 20 0 CHADMN C[C@@H]1CCC[C@H](N(C)Cc2ccncc2Br)C1 ZINC000625082717 1120631964 /nfs/dbraw/zinc/63/19/64/1120631964.db2.gz COKGJQNQBYJPPA-YPMHNXCESA-N 0 1 297.240 3.855 20 0 CHADMN CCc1cc(NC(=O)c2cc(F)cc3[nH]cnc32)ccc1C ZINC000482732126 1120634278 /nfs/dbraw/zinc/63/42/78/1120634278.db2.gz AWGNUYUYDKNWRJ-UHFFFAOYSA-N 0 1 297.333 3.825 20 0 CHADMN CCC[C@H](N[C@H](C)c1cc(C)n(C)n1)c1ccccc1 ZINC000282414422 1120636844 /nfs/dbraw/zinc/63/68/44/1120636844.db2.gz YISUFUVVICDNJE-ZBFHGGJFSA-N 0 1 271.408 3.921 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCCCC[C@@H]3C)n[nH]2)cc1 ZINC000511756346 1120638221 /nfs/dbraw/zinc/63/82/21/1120638221.db2.gz CLYHYHZSCNWICK-AWEZNQCLSA-N 0 1 297.402 3.790 20 0 CHADMN CCn1ccnc1CN[C@@H](c1ccc(OC)cc1)C1CCC1 ZINC000922889692 1120638710 /nfs/dbraw/zinc/63/87/10/1120638710.db2.gz BRLZOGSBYOXUGV-GOSISDBHSA-N 0 1 299.418 3.543 20 0 CHADMN Cc1nc2ccccc2nc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000482947805 1120641896 /nfs/dbraw/zinc/64/18/96/1120641896.db2.gz NWRDYVWZSYCEOR-IBGZPJMESA-N 0 1 289.382 3.885 20 0 CHADMN Cc1nc2ccccc2nc1CN1CC[C@H]1c1ccccc1 ZINC000482947805 1120641899 /nfs/dbraw/zinc/64/18/99/1120641899.db2.gz NWRDYVWZSYCEOR-IBGZPJMESA-N 0 1 289.382 3.885 20 0 CHADMN Cc1ccc(-c2cccc([C@@H]3COCCN3)c2)cc1C ZINC000629733573 1128930689 /nfs/dbraw/zinc/93/06/89/1128930689.db2.gz YIEISNZJDRARCH-SFHVURJKSA-N 0 1 267.372 3.631 20 0 CHADMN COc1ccc(/C=C\c2cccc([C@H]3COCCN3)c2)cc1 ZINC000629730333 1128930731 /nfs/dbraw/zinc/93/07/31/1128930731.db2.gz HFYYSRQZAJTQFJ-SFFCAUCYSA-N 0 1 295.382 3.527 20 0 CHADMN CO[C@@H](CN[C@H](C)c1c(F)cncc1F)C1CCCCC1 ZINC000660551679 1120656622 /nfs/dbraw/zinc/65/66/22/1120656622.db2.gz NCDVWPPAUTZDLS-ABAIWWIYSA-N 0 1 298.377 3.606 20 0 CHADMN CSc1cccc(CN2CCC(F)(F)[C@H](C)C2)c1 ZINC000660565896 1120658898 /nfs/dbraw/zinc/65/88/98/1120658898.db2.gz IOWLTZNFVDSSEW-LLVKDONJSA-N 0 1 271.376 3.886 20 0 CHADMN Cc1nc(CN2CCC[C@@H](c3ccccn3)C2)sc1C ZINC000660627569 1120671002 /nfs/dbraw/zinc/67/10/02/1120671002.db2.gz UQRHTZWNQAEDQL-CQSZACIVSA-N 0 1 287.432 3.535 20 0 CHADMN CC[C@H]1C[C@@H](Nc2ccc3cnccc3c2)CCO1 ZINC000651604417 1120678857 /nfs/dbraw/zinc/67/88/57/1120678857.db2.gz IFGWHCIYEQJJMD-HOTGVXAUSA-N 0 1 256.349 3.604 20 0 CHADMN FC(F)(F)c1ncccc1CN1CCC[C@H](C2CC2)C1 ZINC000625432013 1120679334 /nfs/dbraw/zinc/67/93/34/1120679334.db2.gz MBFOYANACLSFQG-LBPRGKRZSA-N 0 1 284.325 3.722 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2c3ccccc3CC[C@@H]2C)nn1C ZINC000282451276 1120681327 /nfs/dbraw/zinc/68/13/27/1120681327.db2.gz ZVGWWRMAJSMBMQ-YEWDVWPNSA-N 0 1 283.419 3.703 20 0 CHADMN CC(C)CN(Cc1cnn(C)c1)Cc1cc2ccccc2[nH]1 ZINC000651614104 1120682133 /nfs/dbraw/zinc/68/21/33/1120682133.db2.gz XIMXXBFZIGOKEX-UHFFFAOYSA-N 0 1 296.418 3.560 20 0 CHADMN Nc1cccc(CN2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000660738195 1120683139 /nfs/dbraw/zinc/68/31/39/1120683139.db2.gz QAJHRCKKEKNJNX-MRXNPFEDSA-N 0 1 268.360 3.589 20 0 CHADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]CC2CCC(C)(C)CC2)n1 ZINC000660751143 1120684214 /nfs/dbraw/zinc/68/42/14/1120684214.db2.gz JVWRBYVFMKORHC-UHFFFAOYSA-N 0 1 291.439 3.532 20 0 CHADMN O=C1CCN(CC[C@@H]2CCc3ccccc32)C2(CCC2)C1 ZINC000660818469 1120692744 /nfs/dbraw/zinc/69/27/44/1120692744.db2.gz JKQULGRSNYKEDW-INIZCTEOSA-N 0 1 283.415 3.694 20 0 CHADMN C[C@H]1Cc2ccccc2[C@H]1NCc1nc2c(s1)CCC2 ZINC000093075034 1120694061 /nfs/dbraw/zinc/69/40/61/1120694061.db2.gz XFMIPVLKDUGILU-GTNSWQLSSA-N 0 1 284.428 3.655 20 0 CHADMN COc1cc(CN2CC(C)(C)C[C@@H]2c2ccccc2)on1 ZINC000660863312 1120695365 /nfs/dbraw/zinc/69/53/65/1120695365.db2.gz IDFPDJRPHWEPBH-OAHLLOKOSA-N 0 1 286.375 3.656 20 0 CHADMN C[C@@H](c1ccccn1)[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000191461393 1128934082 /nfs/dbraw/zinc/93/40/82/1128934082.db2.gz KWSRGQYZEHXQQY-JTQLQIEISA-N 0 1 294.757 3.773 20 0 CHADMN C[C@@H]1CCN(Cc2cccnc2Cl)CC1(C)C ZINC000759924783 1120700843 /nfs/dbraw/zinc/70/08/43/1120700843.db2.gz ZWIPDQRNESCYMQ-LLVKDONJSA-N 0 1 252.789 3.603 20 0 CHADMN Cc1ncc2c(n1)CCC[C@@H]2N[C@H](C)c1ccsc1 ZINC000766044468 1120702601 /nfs/dbraw/zinc/70/26/01/1120702601.db2.gz MBJFRUFMDMQUHR-YGRLFVJLSA-N 0 1 273.405 3.575 20 0 CHADMN Fc1cccc(-c2nc(CN3C[C@@H]4CCCC[C@@H]43)co2)c1 ZINC000660930119 1120702649 /nfs/dbraw/zinc/70/26/49/1120702649.db2.gz SZUHZNGEPTVYMM-BBRMVZONSA-N 0 1 286.350 3.855 20 0 CHADMN Fc1cc2c(cc1F)CN([C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000660926264 1120703071 /nfs/dbraw/zinc/70/30/71/1120703071.db2.gz LNHRQFZVZMAHDQ-RHSMWYFYSA-N 0 1 271.310 3.837 20 0 CHADMN CCC[C@H](C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ccccc1 ZINC000629770613 1128934534 /nfs/dbraw/zinc/93/45/34/1128934534.db2.gz AATYHHIJMCJQBQ-OIISXLGYSA-N 0 1 289.419 3.613 20 0 CHADMN Cc1c(N[C@H]2CCCc3[nH]ncc32)cnn1C1CCCC1 ZINC000334569223 1120708836 /nfs/dbraw/zinc/70/88/36/1120708836.db2.gz BSGMMRPRXGBNNS-AWEZNQCLSA-N 0 1 285.395 3.519 20 0 CHADMN Cc1c(N[C@@H]2CCCc3[nH]ncc32)cnn1C1CCCC1 ZINC000334569232 1120709471 /nfs/dbraw/zinc/70/94/71/1120709471.db2.gz BSGMMRPRXGBNNS-CQSZACIVSA-N 0 1 285.395 3.519 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000893421081 1120717902 /nfs/dbraw/zinc/71/79/02/1120717902.db2.gz PXMQUARGONWKIH-UONOGXRCSA-N 0 1 282.387 3.598 20 0 CHADMN CCC(C)(C)NC(=O)C[N@@H+](Cc1ccsc1)C(C)(C)C ZINC000661136027 1120723771 /nfs/dbraw/zinc/72/37/71/1120723771.db2.gz CMUKVNCXKVMYPP-UHFFFAOYSA-N 0 1 296.480 3.653 20 0 CHADMN CCC(C)(C)NC(=O)CN(Cc1ccsc1)C(C)(C)C ZINC000661136027 1120723775 /nfs/dbraw/zinc/72/37/75/1120723775.db2.gz CMUKVNCXKVMYPP-UHFFFAOYSA-N 0 1 296.480 3.653 20 0 CHADMN COC[C@H](CC(C)(C)C)NCc1ccn(C2CCCC2)n1 ZINC000651736615 1120731436 /nfs/dbraw/zinc/73/14/36/1120731436.db2.gz BGKSXEHKTWTYIK-HNNXBMFYSA-N 0 1 293.455 3.539 20 0 CHADMN Cc1ncccc1NCc1nc(C(C)C)n2ccccc12 ZINC000651740925 1120732449 /nfs/dbraw/zinc/73/24/49/1120732449.db2.gz SLLQMEAIYHGECH-UHFFFAOYSA-N 0 1 280.375 3.773 20 0 CHADMN CC(C)c1nc(CN2CC[C@H](C)[C@H](F)C2)c2ccccn21 ZINC000651755164 1120735441 /nfs/dbraw/zinc/73/54/41/1120735441.db2.gz CEGYOFPVAGLSIE-UONOGXRCSA-N 0 1 289.398 3.638 20 0 CHADMN Cc1ccc(C(C)(C)NCc2cc3cnccc3o2)cn1 ZINC000651762288 1120738795 /nfs/dbraw/zinc/73/87/95/1120738795.db2.gz LMCRZXMBOYEWRS-UHFFFAOYSA-N 0 1 281.359 3.556 20 0 CHADMN CC(C)(C)n1cc(C[N@H+]2CCCC3(CCCC3)CC2)nn1 ZINC000661231269 1120741883 /nfs/dbraw/zinc/74/18/83/1120741883.db2.gz LAVJMCUVCLNFHT-UHFFFAOYSA-N 0 1 290.455 3.579 20 0 CHADMN CC(C)(C)n1cc(CN2CCCC3(CCCC3)CC2)nn1 ZINC000661231269 1120741887 /nfs/dbraw/zinc/74/18/87/1120741887.db2.gz LAVJMCUVCLNFHT-UHFFFAOYSA-N 0 1 290.455 3.579 20 0 CHADMN COc1cc(OC)c(CNCc2cscc2C)cc1F ZINC000651787982 1120745164 /nfs/dbraw/zinc/74/51/64/1120745164.db2.gz PZTICXQMDFUOMT-UHFFFAOYSA-N 0 1 295.379 3.503 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2ccccc2C)no1 ZINC000044590440 1120752940 /nfs/dbraw/zinc/75/29/40/1120752940.db2.gz IPCIMXXSBHBWKW-INIZCTEOSA-N 0 1 256.349 3.629 20 0 CHADMN c1ccc2oc(CN3CCC(C4CCC4)CC3)nc2c1 ZINC000661376749 1120757593 /nfs/dbraw/zinc/75/75/93/1120757593.db2.gz MDBWMOQFTNKXDO-UHFFFAOYSA-N 0 1 270.376 3.840 20 0 CHADMN CC(=O)Nc1cccc(C[N@H+]2CCc3ccc(C)cc3C2)c1 ZINC000661374686 1120757612 /nfs/dbraw/zinc/75/76/12/1120757612.db2.gz DJEYLTXUMLZSNJ-UHFFFAOYSA-N 0 1 294.398 3.512 20 0 CHADMN CC(=O)Nc1cccc(CN2CCc3ccc(C)cc3C2)c1 ZINC000661374686 1120757615 /nfs/dbraw/zinc/75/76/15/1120757615.db2.gz DJEYLTXUMLZSNJ-UHFFFAOYSA-N 0 1 294.398 3.512 20 0 CHADMN C[C@@H](NCCCc1c(F)cccc1F)c1cscn1 ZINC000661415214 1120763257 /nfs/dbraw/zinc/76/32/57/1120763257.db2.gz QQCPCXMKRVAVBS-SNVBAGLBSA-N 0 1 282.359 3.705 20 0 CHADMN CCc1ncc(CNC2(c3ccccc3C)CCC2)cn1 ZINC000651862095 1120764139 /nfs/dbraw/zinc/76/41/39/1120764139.db2.gz BXGJNKLQMAKGEP-UHFFFAOYSA-N 0 1 281.403 3.516 20 0 CHADMN CCc1nocc1C[N@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000651874997 1120768089 /nfs/dbraw/zinc/76/80/89/1120768089.db2.gz PIIFBWKZPPGCQD-KRWDZBQOSA-N 0 1 288.366 3.540 20 0 CHADMN CCc1nocc1CN1CC[C@](C)(c2cccc(F)c2)C1 ZINC000651874997 1120768092 /nfs/dbraw/zinc/76/80/92/1120768092.db2.gz PIIFBWKZPPGCQD-KRWDZBQOSA-N 0 1 288.366 3.540 20 0 CHADMN CC(C)CC[N@@H+](Cc1nnc(-c2ccccc2)o1)C1CC1 ZINC000045751720 1120768171 /nfs/dbraw/zinc/76/81/71/1120768171.db2.gz IRADIKPXLKAKED-UHFFFAOYSA-N 0 1 285.391 3.747 20 0 CHADMN CC(C)CCN(Cc1nnc(-c2ccccc2)o1)C1CC1 ZINC000045751720 1120768173 /nfs/dbraw/zinc/76/81/73/1120768173.db2.gz IRADIKPXLKAKED-UHFFFAOYSA-N 0 1 285.391 3.747 20 0 CHADMN COc1ccc(CN2CCC23CCCC3)c(OC(F)F)c1 ZINC000651873827 1120768574 /nfs/dbraw/zinc/76/85/74/1120768574.db2.gz XPVWJNGAGFVMIN-UHFFFAOYSA-N 0 1 297.345 3.815 20 0 CHADMN CCc1nc([C@@H](C)S[C@H](C)c2ccccc2OC)n[nH]1 ZINC000594890001 1120770139 /nfs/dbraw/zinc/77/01/39/1120770139.db2.gz NMENRVSTFNYKKS-GHMZBOCLSA-N 0 1 291.420 3.931 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](c2ccccc2F)C(C)C)n[nH]1 ZINC000661485013 1120770336 /nfs/dbraw/zinc/77/03/36/1120770336.db2.gz NYMYUNVILMFBDJ-ABAIWWIYSA-N 0 1 290.386 3.554 20 0 CHADMN CC(C)(C)OCCCN1CC[C@H]1c1ccc(F)cc1 ZINC000661508855 1120771644 /nfs/dbraw/zinc/77/16/44/1120771644.db2.gz AEMXDBCOIRGSPI-HNNXBMFYSA-N 0 1 265.372 3.778 20 0 CHADMN Fc1cc(F)c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1F ZINC000511893499 1120779823 /nfs/dbraw/zinc/77/98/23/1120779823.db2.gz YTENAKMIAKPSPO-ZUZCIYMTSA-N 0 1 269.310 3.868 20 0 CHADMN Fc1cc(F)c(CN2CCC[C@@H]3CCC[C@H]32)cc1F ZINC000511893499 1120779826 /nfs/dbraw/zinc/77/98/26/1120779826.db2.gz YTENAKMIAKPSPO-ZUZCIYMTSA-N 0 1 269.310 3.868 20 0 CHADMN CC[C@H]1CN(Cc2cc(C)c3ncccc3c2)[C@H](C)CO1 ZINC000651931533 1120784365 /nfs/dbraw/zinc/78/43/65/1120784365.db2.gz VIJKRNAMKWMHMT-PBHICJAKSA-N 0 1 284.403 3.543 20 0 CHADMN Cc1nc([C@@H](C)N2CCC(C)(C)CC(C)(C)C2)no1 ZINC000661627759 1120787357 /nfs/dbraw/zinc/78/73/57/1120787357.db2.gz QKODOMHUUIOHQQ-LLVKDONJSA-N 0 1 265.401 3.587 20 0 CHADMN COc1ccc(C(C)C)cc1CN(C)CC1=CCCOC1 ZINC000661654389 1120789987 /nfs/dbraw/zinc/78/99/87/1120789987.db2.gz YFFVBWOCCAMETC-UHFFFAOYSA-N 0 1 289.419 3.597 20 0 CHADMN COc1ccc([C@@H]2CCCN2CCC(F)(F)F)cc1F ZINC000661658936 1120790792 /nfs/dbraw/zinc/79/07/92/1120790792.db2.gz HJOUSHPBROUTOR-LBPRGKRZSA-N 0 1 291.288 3.924 20 0 CHADMN CCc1noc([C@@H](C)N2CCCC(CC)(CC)C2)n1 ZINC000661673004 1120793395 /nfs/dbraw/zinc/79/33/95/1120793395.db2.gz AGVFQNJBZJFGAQ-GFCCVEGCSA-N 0 1 265.401 3.595 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@@H]1C[C@H]1C1CCCC1 ZINC000652163429 1120794183 /nfs/dbraw/zinc/79/41/83/1120794183.db2.gz NXQYJLDXDRYDLY-VHSXEESVSA-N 0 1 297.757 3.950 20 0 CHADMN FCC[C@H]1CCCN(Cc2cc(-c3cccs3)on2)C1 ZINC000661695993 1120796693 /nfs/dbraw/zinc/79/66/93/1120796693.db2.gz WBZVFKFCCFODNI-GFCCVEGCSA-N 0 1 294.395 3.975 20 0 CHADMN CC[C@@H](NC1(c2ccccc2C)CCC1)c1ccn(C)n1 ZINC000652216981 1120799812 /nfs/dbraw/zinc/79/98/12/1120799812.db2.gz LITPHHCGGOQXEG-MRXNPFEDSA-N 0 1 283.419 3.849 20 0 CHADMN CCc1ccccc1NC(=O)c1cc(F)cc2[nH]cnc21 ZINC000048246175 1120805464 /nfs/dbraw/zinc/80/54/64/1120805464.db2.gz UUXPPZUGXPGYMT-UHFFFAOYSA-N 0 1 283.306 3.517 20 0 CHADMN COc1cc(Cl)ncc1CN1CCC[C@H]2CCC[C@@H]21 ZINC001141341464 1120809369 /nfs/dbraw/zinc/80/93/69/1120809369.db2.gz CPEABYLSHZCLFK-YPMHNXCESA-N 0 1 280.799 3.508 20 0 CHADMN C[C@@H](O)[C@H]1CCCN1Cc1nc(C2CCCCC2)cs1 ZINC000661766220 1120812058 /nfs/dbraw/zinc/81/20/58/1120812058.db2.gz WTFPNYNDVAHWLN-IUODEOHRSA-N 0 1 294.464 3.536 20 0 CHADMN CCCC[C@@H](CC)CCCN(C)C(=O)c1coc(CN)c1 ZINC000663000349 1120815277 /nfs/dbraw/zinc/81/52/77/1120815277.db2.gz GTNHOKBVYWNMMG-CQSZACIVSA-N 0 1 294.439 3.807 20 0 CHADMN Cc1ccc2[nH]c(CN3CCC[C@@H]4COCC[C@@H]43)cc2c1C ZINC000473149818 1120820441 /nfs/dbraw/zinc/82/04/41/1120820441.db2.gz LFLPLPPMVLCMCD-BEFAXECRSA-N 0 1 298.430 3.786 20 0 CHADMN Cc1c([C@H](C)NC2CC3(CCC3)C2)nnn1-c1ccccc1 ZINC000652326408 1120826349 /nfs/dbraw/zinc/82/63/49/1120826349.db2.gz GNZHYNKRVHTASK-ZDUSSCGKSA-N 0 1 296.418 3.559 20 0 CHADMN Fc1ccc(F)c(CN2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000661877823 1120831485 /nfs/dbraw/zinc/83/14/85/1120831485.db2.gz WGHPDYJXBDFBSA-SUMWQHHRSA-N 0 1 295.373 3.746 20 0 CHADMN CO[C@@H](CN[C@H](C)c1cccnc1Cl)c1ccccc1 ZINC000178457666 1120831580 /nfs/dbraw/zinc/83/15/80/1120831580.db2.gz GKYUIAVZYGQMFG-DOMZBBRYSA-N 0 1 290.794 3.773 20 0 CHADMN Fc1cccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c1F ZINC000661880377 1120832214 /nfs/dbraw/zinc/83/22/14/1120832214.db2.gz INAYEGLEIZPWBP-XJKSGUPXSA-N 0 1 295.373 3.746 20 0 CHADMN CC[C@H](NCc1ccc(C)c(C)n1)c1ccc2c(c1)CCO2 ZINC000313996715 1120834293 /nfs/dbraw/zinc/83/42/93/1120834293.db2.gz YPYKAKRNZHYTKF-SFHVURJKSA-N 0 1 296.414 3.874 20 0 CHADMN C[N@@H+](Cc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000048613623 1120835358 /nfs/dbraw/zinc/83/53/58/1120835358.db2.gz QJHTUYQBFCSEGZ-UHFFFAOYSA-N 0 1 271.364 3.501 20 0 CHADMN CN(Cc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000048613623 1120835363 /nfs/dbraw/zinc/83/53/63/1120835363.db2.gz QJHTUYQBFCSEGZ-UHFFFAOYSA-N 0 1 271.364 3.501 20 0 CHADMN COc1c(F)cc(Nc2cnc3cccc(C)n23)cc1F ZINC001211678705 1120848218 /nfs/dbraw/zinc/84/82/18/1120848218.db2.gz LQRJHSZQYMOOMZ-UHFFFAOYSA-N 0 1 289.285 3.673 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2cccnc2)c2c(n1)CCCC2 ZINC000893539656 1120848669 /nfs/dbraw/zinc/84/86/69/1120848669.db2.gz LDHAPFRPVOKJDV-HNNXBMFYSA-N 0 1 295.430 3.857 20 0 CHADMN O=C([O-])[C@H](CC[N@@H+](C1CC1)C1CCCC1)c1ccccc1 ZINC000652388341 1120851087 /nfs/dbraw/zinc/85/10/87/1120851087.db2.gz SEGUIJGTCKMZKI-QGZVFWFLSA-N 0 1 287.403 3.652 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000652396424 1120851567 /nfs/dbraw/zinc/85/15/67/1120851567.db2.gz ZVPJDYLXNODCMZ-YGRLFVJLSA-N 0 1 299.773 3.727 20 0 CHADMN C[C@@H]([N@@H+](C)CC[C@@H](C(=O)[O-])c1ccccc1)C(C)(C)C ZINC000652394435 1120852730 /nfs/dbraw/zinc/85/27/30/1120852730.db2.gz GXJAYLTVKWYNMG-UKRRQHHQSA-N 0 1 277.408 3.611 20 0 CHADMN C[C@H](N[C@@H](C)C1CCC(F)CC1)c1nc(C(C)(C)C)no1 ZINC000662000987 1120855747 /nfs/dbraw/zinc/85/57/47/1120855747.db2.gz QSEYUQMGUWZAIK-ZSVAQUKISA-N 0 1 297.418 3.935 20 0 CHADMN CCSc1ccccc1CN[C@@H]1CCCn2nccc21 ZINC000931571258 1120856162 /nfs/dbraw/zinc/85/61/62/1120856162.db2.gz QYTYKWFQKXZVLW-CQSZACIVSA-N 0 1 287.432 3.620 20 0 CHADMN O=C([O-])CCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000652416161 1120859191 /nfs/dbraw/zinc/85/91/91/1120859191.db2.gz LOGRFSVBWOZYMR-GVDBMIGSSA-N 0 1 287.403 3.509 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1CC[C@H](C(=O)[O-])c1ccccc1 ZINC000652420984 1120860003 /nfs/dbraw/zinc/86/00/03/1120860003.db2.gz SSUASHQMMSPSMZ-SJORKVTESA-N 0 1 289.419 3.900 20 0 CHADMN C[C@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000652428354 1120860256 /nfs/dbraw/zinc/86/02/56/1120860256.db2.gz FSUUZFWMRSASGM-IBGZPJMESA-N 0 1 295.382 3.548 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](C3CCC3)C2)nc1 ZINC000662044242 1120862811 /nfs/dbraw/zinc/86/28/11/1120862811.db2.gz PBVGVQQDHSQEOR-CYBMUJFWSA-N 0 1 264.800 3.747 20 0 CHADMN Cc1nc(C(C)C)ccc1CN1CCC(c2ccon2)CC1 ZINC000662049259 1120865160 /nfs/dbraw/zinc/86/51/60/1120865160.db2.gz UQMRBOHSNSQNPO-UHFFFAOYSA-N 0 1 299.418 3.881 20 0 CHADMN CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000652450952 1120866357 /nfs/dbraw/zinc/86/63/57/1120866357.db2.gz MDVWEIZBMMDLGJ-IUODEOHRSA-N 0 1 291.391 3.626 20 0 CHADMN Cc1ccccc1-c1noc(CNC2(CC(C)C)CC2)n1 ZINC000662069492 1120869567 /nfs/dbraw/zinc/86/95/67/1120869567.db2.gz HBYSBDQGNOEZEA-UHFFFAOYSA-N 0 1 285.391 3.713 20 0 CHADMN CCc1ccc([C@@H](NCc2cnccn2)C(C)C)cc1 ZINC000054765688 1120870353 /nfs/dbraw/zinc/87/03/53/1120870353.db2.gz TZBRBJFBHGWYAQ-KRWDZBQOSA-N 0 1 269.392 3.526 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(C(F)F)c1 ZINC000652484749 1120871053 /nfs/dbraw/zinc/87/10/53/1120871053.db2.gz PISWFIGCAXCQEX-CYBMUJFWSA-N 0 1 285.334 3.555 20 0 CHADMN CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1nc(=O)c2sccc2[n-]1 ZINC000662158502 1120888902 /nfs/dbraw/zinc/88/89/02/1120888902.db2.gz SMFPTKCITBQPDQ-WDEREUQCSA-N 0 1 291.420 3.550 20 0 CHADMN CN(CCCC(C)(C)C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001167788589 1120889467 /nfs/dbraw/zinc/88/94/67/1120889467.db2.gz BBSFRXIWCDYRSA-UHFFFAOYSA-N 0 1 298.377 3.661 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N(C)C[C@H]1CCc2ccccc21 ZINC000662199741 1120896262 /nfs/dbraw/zinc/89/62/62/1120896262.db2.gz SXCSITUYMOFFEZ-SWLSCSKDSA-N 0 1 297.402 3.670 20 0 CHADMN C(c1nnc(C2CC2)o1)N1CCC[C@H](C2CCCCC2)C1 ZINC000662200093 1120896836 /nfs/dbraw/zinc/89/68/36/1120896836.db2.gz CXRYTOMUCOXFHL-HNNXBMFYSA-N 0 1 289.423 3.739 20 0 CHADMN CN(Cc1ccc(Cl)s1)CC1=CCSC1 ZINC000662263477 1120913438 /nfs/dbraw/zinc/91/34/38/1120913438.db2.gz KYGPRSDCGRPDJO-UHFFFAOYSA-N 0 1 259.827 3.507 20 0 CHADMN C/C(=C\C=C\N)NCc1c(C)cc(Cl)cc1Cl ZINC001167795900 1120917465 /nfs/dbraw/zinc/91/74/65/1120917465.db2.gz LFYBRVPAQDOWKS-OXWOXFIQSA-N 0 1 271.191 3.768 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccoc1C(=O)[O-] ZINC000062015119 1120919644 /nfs/dbraw/zinc/91/96/44/1120919644.db2.gz QRDUEGKAKGTTLB-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000062015259 1120919697 /nfs/dbraw/zinc/91/96/97/1120919697.db2.gz XQEILTOTVIEDCR-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN C[C@@H](NCCOCCF)c1ccc(Cl)cc1Cl ZINC000663310727 1120920986 /nfs/dbraw/zinc/92/09/86/1120920986.db2.gz NRKYRYIFPUBOTR-SECBINFHSA-N 0 1 280.170 3.630 20 0 CHADMN C[C@H](NCc1cnccc1C(F)(F)F)c1ccccc1 ZINC000663312481 1120922411 /nfs/dbraw/zinc/92/24/11/1120922411.db2.gz XFRMYFKYFVNRPC-NSHDSACASA-N 0 1 280.293 3.951 20 0 CHADMN CC(C)c1cccc(CN[C@H]2CCCc3c[nH]nc32)c1 ZINC000663318406 1120924489 /nfs/dbraw/zinc/92/44/89/1120924489.db2.gz LXRVYAKADRPYOY-INIZCTEOSA-N 0 1 269.392 3.700 20 0 CHADMN COCc1ccc(CN[C@@]2(c3ccccc3)CC2(C)C)o1 ZINC000663337605 1120938611 /nfs/dbraw/zinc/93/86/11/1120938611.db2.gz AUPHQMDMBIWVIV-GOSISDBHSA-N 0 1 285.387 3.841 20 0 CHADMN CC(C)Cn1nccc1CN[C@]1(c2ccccc2)CC1(C)C ZINC000663340736 1120940556 /nfs/dbraw/zinc/94/05/56/1120940556.db2.gz DWQDYUZWTIFJSH-IBGZPJMESA-N 0 1 297.446 3.954 20 0 CHADMN FC(F)(F)CC1CN(Cc2cccc(C3CC3)c2)C1 ZINC000643293767 1120944458 /nfs/dbraw/zinc/94/44/58/1120944458.db2.gz INDCADBWDYWANF-UHFFFAOYSA-N 0 1 269.310 3.948 20 0 CHADMN Cc1cc(C[N@@H+]2CC[C@H](C)C2)c(OC(F)F)cc1C ZINC000511971850 1120947426 /nfs/dbraw/zinc/94/74/26/1120947426.db2.gz IPCMZHSUQXDDEU-JTQLQIEISA-N 0 1 269.335 3.747 20 0 CHADMN CCc1nc(C)c(CN[C@H](C)c2sccc2C)o1 ZINC000311695983 1120960393 /nfs/dbraw/zinc/96/03/93/1120960393.db2.gz QIWJZFAYYJPNAN-LLVKDONJSA-N 0 1 264.394 3.766 20 0 CHADMN CCCCC[C@@H](C)N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000314870894 1120978184 /nfs/dbraw/zinc/97/81/84/1120978184.db2.gz XOKAKNUSYCCCEP-GHMZBOCLSA-N 0 1 284.425 3.549 20 0 CHADMN Fc1cc(-c2ncco2)ccc1CN1CC[C@@H](C(F)F)C1 ZINC000663463467 1120979766 /nfs/dbraw/zinc/97/97/66/1120979766.db2.gz DGAPFDJFIYJBBW-GFCCVEGCSA-N 0 1 296.292 3.568 20 0 CHADMN CC[C@@]1(C)CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000399371356 1120982658 /nfs/dbraw/zinc/98/26/58/1120982658.db2.gz SHTKVFQZFBYMMU-AWEZNQCLSA-N 0 1 282.771 3.870 20 0 CHADMN CC[C@@H](c1cccc(OC)c1)N(C)Cc1cnoc1C ZINC000343944543 1120986334 /nfs/dbraw/zinc/98/63/34/1120986334.db2.gz QKNDVJRLSILIMH-INIZCTEOSA-N 0 1 274.364 3.575 20 0 CHADMN COc1ccc2c(C[N@@H+](C)Cc3cccs3)c[nH]c2c1 ZINC001138588066 1128954503 /nfs/dbraw/zinc/95/45/03/1128954503.db2.gz LDPHTEBLTJOCOD-UHFFFAOYSA-N 0 1 286.400 3.870 20 0 CHADMN Brc1cc(CNCc2ccsc2)cs1 ZINC000057399680 1120996453 /nfs/dbraw/zinc/99/64/53/1120996453.db2.gz SJLJOEIFVXXZEK-UHFFFAOYSA-N 0 1 288.235 3.862 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](C[C@H](C)C2CCCCC2)C1 ZINC000313510621 1121003384 /nfs/dbraw/zinc/00/33/84/1121003384.db2.gz KARUDQUHDOUMLW-YOEHRIQHSA-N 0 1 281.440 3.636 20 0 CHADMN CC(C)c1cc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)n[nH]1 ZINC000057083500 1121013032 /nfs/dbraw/zinc/01/30/32/1121013032.db2.gz YWXJOEQHBRGSLY-WOSRLPQWSA-N 0 1 289.423 3.574 20 0 CHADMN Cc1ccc(NC(=O)c2[nH]cnc2C(C)(C)C)c(C)c1 ZINC000630396268 1128956322 /nfs/dbraw/zinc/95/63/22/1128956322.db2.gz LQSCYERCJQOIFT-UHFFFAOYSA-N 0 1 271.364 3.576 20 0 CHADMN c1ccc([C@H](NCc2cnc3ccccc3n2)C2CC2)cc1 ZINC000315576282 1121016220 /nfs/dbraw/zinc/01/62/20/1121016220.db2.gz QDZBWIYHZJKFGY-IBGZPJMESA-N 0 1 289.382 3.871 20 0 CHADMN Clc1cccc(CCCN2CCCCC23COC3)c1 ZINC001207590662 1121018331 /nfs/dbraw/zinc/01/83/31/1121018331.db2.gz QQMZRAUBTMNIHO-UHFFFAOYSA-N 0 1 279.811 3.528 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc2cnccc2o1)c1cncc(F)c1 ZINC000657968540 1121019840 /nfs/dbraw/zinc/01/98/40/1121019840.db2.gz BIHQBSJMZNKFOO-MNOVXSKESA-N 0 1 285.322 3.774 20 0 CHADMN CC1(C)CN(Cc2cccnc2)[C@H]1c1ccccc1 ZINC000674009404 1121036179 /nfs/dbraw/zinc/03/61/79/1121036179.db2.gz IJKRXXXLGPXGNV-INIZCTEOSA-N 0 1 252.361 3.665 20 0 CHADMN COc1cc(Nc2ccc3cc[nH]c3c2)ncc1C ZINC001174750983 1121036445 /nfs/dbraw/zinc/03/64/45/1121036445.db2.gz UCZKPMOZIZYVRG-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Fc1ccc(OCCN2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000674010553 1121038205 /nfs/dbraw/zinc/03/82/05/1121038205.db2.gz QSZASUTZSKRUEI-QGZVFWFLSA-N 0 1 289.325 3.791 20 0 CHADMN Cc1nn(C)c(C)c1CN1CC(C)(C)[C@H]1c1ccccc1 ZINC000674010329 1121039270 /nfs/dbraw/zinc/03/92/70/1121039270.db2.gz PWXIFPSTNANGRG-QGZVFWFLSA-N 0 1 283.419 3.620 20 0 CHADMN Cc1scc(C[NH2+][C@H](C(=O)[O-])c2ccc(C)cc2)c1C ZINC000630449815 1128958094 /nfs/dbraw/zinc/95/80/94/1128958094.db2.gz LPLFPFUBNRTZJH-HNNXBMFYSA-N 0 1 289.400 3.589 20 0 CHADMN C[C@H](Cc1ccccc1)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000509200831 1121043534 /nfs/dbraw/zinc/04/35/34/1121043534.db2.gz STPRJTBPGPJRKO-LLVKDONJSA-N 0 1 297.333 3.519 20 0 CHADMN COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H](C)C3)c2c1 ZINC000006209001 1121043757 /nfs/dbraw/zinc/04/37/57/1121043757.db2.gz XUZNFKJHDTUSBM-ZDUSSCGKSA-N 0 1 285.387 3.786 20 0 CHADMN CC(=O)c1cccc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)c1 ZINC000625654044 1121047952 /nfs/dbraw/zinc/04/79/52/1121047952.db2.gz WUTGCXSUGYUAKK-VXGBXAGGSA-N 0 1 281.346 3.612 20 0 CHADMN c1sc(C[N@H+]2CCC[C@@H](C3CC3)C2)nc1C1CC1 ZINC000343996473 1121048023 /nfs/dbraw/zinc/04/80/23/1121048023.db2.gz RZRHAYIYBWKFEQ-CYBMUJFWSA-N 0 1 262.422 3.643 20 0 CHADMN c1sc(CN2CCC[C@@H](C3CC3)C2)nc1C1CC1 ZINC000343996473 1121048029 /nfs/dbraw/zinc/04/80/29/1121048029.db2.gz RZRHAYIYBWKFEQ-CYBMUJFWSA-N 0 1 262.422 3.643 20 0 CHADMN CC(=O)c1cccc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000625654039 1121048834 /nfs/dbraw/zinc/04/88/34/1121048834.db2.gz WUTGCXSUGYUAKK-RYUDHWBXSA-N 0 1 281.346 3.612 20 0 CHADMN C[C@H](CN(C)Cc1nccn1C(F)F)C1CCCCC1 ZINC000338903858 1121051124 /nfs/dbraw/zinc/05/11/24/1121051124.db2.gz MMIBNVMEIXMLPY-GFCCVEGCSA-N 0 1 285.382 3.926 20 0 CHADMN C[C@H](N[C@@H]1CCCc2nn(C)cc21)c1csc(Cl)c1 ZINC000282508973 1121052502 /nfs/dbraw/zinc/05/25/02/1121052502.db2.gz SPKLPANDNDHCAC-JOYOIKCWSA-N 0 1 295.839 3.863 20 0 CHADMN CCn1c(C)cc(C(=O)CN(C)C[C@H]2CC=CCC2)c1C ZINC000344023537 1121056094 /nfs/dbraw/zinc/05/60/94/1121056094.db2.gz AVGLZPWSASIPTC-INIZCTEOSA-N 0 1 288.435 3.596 20 0 CHADMN c1nnc([C@@H]2CCCN2Cc2ccc(C3CCCC3)cc2)[nH]1 ZINC001174883377 1121057088 /nfs/dbraw/zinc/05/70/88/1121057088.db2.gz YZLPYFFLEAFRCM-KRWDZBQOSA-N 0 1 296.418 3.799 20 0 CHADMN C[C@H](C(=O)c1c[nH]c2ncccc12)N1C[C@H](C)CC(C)(C)C1 ZINC000344026430 1121058494 /nfs/dbraw/zinc/05/84/94/1121058494.db2.gz JRMLKSFBOAPQMA-CHWSQXEVSA-N 0 1 299.418 3.502 20 0 CHADMN CC[C@H](CC1CCCC1)C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC001127683927 1128959870 /nfs/dbraw/zinc/95/98/70/1128959870.db2.gz PDCAPCDMEPKUER-YQQAZPJKSA-N 0 1 294.483 3.534 20 0 CHADMN FC(F)(F)c1cc(Nc2nnco2)cc(C(F)(F)F)c1 ZINC001174853296 1121066414 /nfs/dbraw/zinc/06/64/14/1121066414.db2.gz QULKCSZIVHLXQI-UHFFFAOYSA-N 0 1 297.158 3.851 20 0 CHADMN CCC1(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)CC1 ZINC000674085871 1121080391 /nfs/dbraw/zinc/08/03/91/1121080391.db2.gz GZZKIODQSJQROM-UHFFFAOYSA-N 0 1 283.375 3.959 20 0 CHADMN C[C@H]1CC(c2nc3ccc(Cl)cc3[nH]2)C[C@H](C)O1 ZINC000724363779 1121081571 /nfs/dbraw/zinc/08/15/71/1121081571.db2.gz UKXKJPDSSJDSOU-IUCAKERBSA-N 0 1 264.756 3.887 20 0 CHADMN Cc1cncc(CN2Cc3ccccc3OC(C)(C)C2)c1 ZINC000344119238 1121088900 /nfs/dbraw/zinc/08/89/00/1121088900.db2.gz QNGBJNAZZICQJB-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN FC(F)C1(NC[C@H]2C[C@@H]2c2ccccc2)CCCC1 ZINC000674143905 1121092290 /nfs/dbraw/zinc/09/22/90/1121092290.db2.gz COLWYGNRIHDRGI-ZIAGYGMSSA-N 0 1 265.347 3.958 20 0 CHADMN COCc1cccc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)c1 ZINC000038010434 1121094435 /nfs/dbraw/zinc/09/44/35/1121094435.db2.gz QWUNANCOHZRJMR-SUMWQHHRSA-N 0 1 285.387 3.839 20 0 CHADMN CC(C)[C@H]1CN(C(=O)c2cccc(F)c2O)c2ccccc21 ZINC001128666144 1121100586 /nfs/dbraw/zinc/10/05/86/1121100586.db2.gz LLSKAWVNQGCJQM-CQSZACIVSA-N 0 1 299.345 3.931 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3cnccc3c2)C[C@H](CC)O1 ZINC000643294929 1121106940 /nfs/dbraw/zinc/10/69/40/1121106940.db2.gz SVEAFRXGMZWRTN-HDICACEKSA-N 0 1 284.403 3.624 20 0 CHADMN FC(F)(F)C[C@H]1CCCN(Cc2n[nH]c3ccccc32)C1 ZINC000643294954 1121107047 /nfs/dbraw/zinc/10/70/47/1121107047.db2.gz YEJRKVBEIJQSLZ-LLVKDONJSA-N 0 1 297.324 3.727 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@H](c3cc(C)cc(C)c3)C2)o1 ZINC000344166683 1121108713 /nfs/dbraw/zinc/10/87/13/1121108713.db2.gz NDUMVDJVABIUJT-GJZGRUSLSA-N 0 1 299.418 3.799 20 0 CHADMN O=C([O-])Cc1ccc(Nc2ccc3c[nH+]ccc3c2)cc1 ZINC001174952589 1121109527 /nfs/dbraw/zinc/10/95/27/1121109527.db2.gz XQKRDRUPTHIBIO-UHFFFAOYSA-N 0 1 278.311 3.606 20 0 CHADMN Cc1ccccc1CCCN1Cc2ccc(O)cc2C1 ZINC000625726773 1121116602 /nfs/dbraw/zinc/11/66/02/1121116602.db2.gz LMJTVFHPXQXOMC-UHFFFAOYSA-N 0 1 267.372 3.649 20 0 CHADMN Cc1cc(F)ccc1CN1CCCc2occc2C1 ZINC000344195548 1121117582 /nfs/dbraw/zinc/11/75/82/1121117582.db2.gz CHSQWLFVZQSPKB-UHFFFAOYSA-N 0 1 259.324 3.676 20 0 CHADMN CCn1cc([C@@H](C)N[C@H](C)c2ccc(C(F)F)nc2)cn1 ZINC000658032825 1121122392 /nfs/dbraw/zinc/12/23/92/1121122392.db2.gz XJSNZGMDJSNNCY-GHMZBOCLSA-N 0 1 294.349 3.647 20 0 CHADMN Cc1noc([C@@H](C)N2CC[C@](C)(CCc3ccccc3)C2)n1 ZINC000674376038 1121126116 /nfs/dbraw/zinc/12/61/16/1121126116.db2.gz WBHJAIZSPLNOJU-KDOFPFPSSA-N 0 1 299.418 3.784 20 0 CHADMN Fc1ccccc1C1(N[C@H]2CCCn3nccc32)CCC1 ZINC000658042114 1121128014 /nfs/dbraw/zinc/12/80/14/1121128014.db2.gz RLMGUPKRRXMNEK-HNNXBMFYSA-N 0 1 285.366 3.526 20 0 CHADMN Fc1c(Br)ccc(CN[C@H]2C=CCC2)c1F ZINC000701002837 1121131791 /nfs/dbraw/zinc/13/17/91/1121131791.db2.gz PJNUBVCVTJBYRW-VIFPVBQESA-N 0 1 288.135 3.536 20 0 CHADMN COc1cc(Nc2cc(C)nn2-c2ccncc2)ccc1C ZINC001175016714 1121135905 /nfs/dbraw/zinc/13/59/05/1121135905.db2.gz NERPZTCUZYTTBW-UHFFFAOYSA-N 0 1 294.358 3.636 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CCCCC[C@H]1C ZINC000512171814 1121136059 /nfs/dbraw/zinc/13/60/59/1121136059.db2.gz TUHZQQQHWYHHNC-OAHLLOKOSA-N 0 1 288.435 3.760 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CCCCC[C@@H]1C ZINC000512171813 1121136290 /nfs/dbraw/zinc/13/62/90/1121136290.db2.gz TUHZQQQHWYHHNC-HNNXBMFYSA-N 0 1 288.435 3.760 20 0 CHADMN CCCCO[C@H]1C[C@H](NCc2nc(C)sc2C)C1(C)C ZINC000344298378 1121137702 /nfs/dbraw/zinc/13/77/02/1121137702.db2.gz NUVHDABYQAPCFA-GJZGRUSLSA-N 0 1 296.480 3.833 20 0 CHADMN CN(Cc1cc2ccccc2[nH]1)Cc1cccc(F)c1 ZINC000674505459 1121142002 /nfs/dbraw/zinc/14/20/02/1121142002.db2.gz IBLUGKCWDGGUIW-UHFFFAOYSA-N 0 1 268.335 3.939 20 0 CHADMN CCOc1ccc(Nc2ccncc2)cc1C(F)(F)F ZINC001175032967 1121153025 /nfs/dbraw/zinc/15/30/25/1121153025.db2.gz KAUDZJDTKPNJSY-UHFFFAOYSA-N 0 1 282.265 3.665 20 0 CHADMN CCOc1ccc(Nc2cncn2C)cc1C(F)(F)F ZINC001175033004 1121153147 /nfs/dbraw/zinc/15/31/47/1121153147.db2.gz KVQWJXBBDIYSFT-UHFFFAOYSA-N 0 1 285.269 3.581 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3coc(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000172973705 1121167883 /nfs/dbraw/zinc/16/78/83/1121167883.db2.gz GCYNWWVZAYXWQS-GASCZTMLSA-N 0 1 286.350 3.569 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2ccc(C)c(C(=O)[O-])c2)CC1 ZINC000701829435 1121170567 /nfs/dbraw/zinc/17/05/67/1121170567.db2.gz PVEMWQSKXDSZHO-CQSZACIVSA-N 0 1 275.392 3.705 20 0 CHADMN Cc1csc([C@@H](C)N[C@H](C)COc2ccc(C)cc2)n1 ZINC000701890047 1121172661 /nfs/dbraw/zinc/17/26/61/1121172661.db2.gz LNLNTJZKIBWFAX-TZMCWYRMSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1cccc([C@@H]2CCCCN2Cc2cc[nH]n2)c1C ZINC000093684332 1128969761 /nfs/dbraw/zinc/96/97/61/1128969761.db2.gz MVXZYRPJXUDNFQ-KRWDZBQOSA-N 0 1 269.392 3.754 20 0 CHADMN CCOc1ccc(CN2CCc3ccccc3[C@H]2C)nc1 ZINC000674863139 1121188596 /nfs/dbraw/zinc/18/85/96/1121188596.db2.gz GUTMGBGMXMDMBK-CQSZACIVSA-N 0 1 282.387 3.600 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)nc1 ZINC000674860914 1121188720 /nfs/dbraw/zinc/18/87/20/1121188720.db2.gz GYTRRNSQPSYCHP-GOSISDBHSA-N 0 1 298.386 3.523 20 0 CHADMN CC[C@@H](C)CNC1(c2noc(C)n2)CCCCCC1 ZINC000674862242 1121188817 /nfs/dbraw/zinc/18/88/17/1121188817.db2.gz MEZDFXKPTYDWBN-GFCCVEGCSA-N 0 1 265.401 3.563 20 0 CHADMN Cc1cnc(C(=O)N2CCC[C@H](C)c3ccccc32)c(O)c1 ZINC000408372841 1121189998 /nfs/dbraw/zinc/18/99/98/1121189998.db2.gz JTPZFOKDIGAMAP-ZDUSSCGKSA-N 0 1 296.370 3.640 20 0 CHADMN CC(C)(C)OCCCN1CCc2c(Cl)cccc2C1 ZINC000674908416 1121196889 /nfs/dbraw/zinc/19/68/89/1121196889.db2.gz BTELALNEVQGOIK-UHFFFAOYSA-N 0 1 281.827 3.903 20 0 CHADMN C[C@H](NCc1cccc(C2CC2)c1)c1ccccn1 ZINC000094517983 1121210161 /nfs/dbraw/zinc/21/01/61/1121210161.db2.gz YLGOSLFKRPAHJO-ZDUSSCGKSA-N 0 1 252.361 3.810 20 0 CHADMN Cc1ccc(C)c(Nc2ccnn2-c2ccncc2)c1 ZINC001175163414 1121210345 /nfs/dbraw/zinc/21/03/45/1121210345.db2.gz MVGRZHYMIRDGFR-UHFFFAOYSA-N 0 1 264.332 3.628 20 0 CHADMN CSC[C@@H](C)N[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000284748913 1121213575 /nfs/dbraw/zinc/21/35/75/1121213575.db2.gz FDHJDGNLPCGDIT-WBMJQRKESA-N 0 1 290.407 3.651 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@H](c2ccccc2)[C@@H](C)O)s1 ZINC000658360045 1121215719 /nfs/dbraw/zinc/21/57/19/1121215719.db2.gz GULPUSSVVOWCQG-ZOWXZIJZSA-N 0 1 290.432 3.533 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1csc(Cl)c1 ZINC000230411082 1121221155 /nfs/dbraw/zinc/22/11/55/1121221155.db2.gz BHKAUPVLWWYCML-SFYZADRCSA-N 0 1 255.774 3.536 20 0 CHADMN Cc1cc(Nc2ccc(F)c(C)c2)n(-c2ccncc2)n1 ZINC001175252337 1121223095 /nfs/dbraw/zinc/22/30/95/1121223095.db2.gz AHIYUMBODKKPGL-UHFFFAOYSA-N 0 1 282.322 3.767 20 0 CHADMN CC1(C)CN(C(=O)c2cccc3c[nH]nc32)c2ccccc21 ZINC000675145991 1121224027 /nfs/dbraw/zinc/22/40/27/1121224027.db2.gz BZUZSVJUGKLEHH-UHFFFAOYSA-N 0 1 291.354 3.501 20 0 CHADMN CCC(C)(C)NC(=O)CN([C@@H](C)c1ccccc1)C1CC1 ZINC000512246435 1121224626 /nfs/dbraw/zinc/22/46/26/1121224626.db2.gz UPCMKYZJRDCFQO-AWEZNQCLSA-N 0 1 288.435 3.517 20 0 CHADMN CC(C)c1csc(NC(=O)c2[nH]cnc2C(C)(C)C)n1 ZINC000630804025 1128971163 /nfs/dbraw/zinc/97/11/63/1128971163.db2.gz YNPKWIHTIUCQFE-UHFFFAOYSA-N 0 1 292.408 3.539 20 0 CHADMN C[C@]1(CCN[C@@H](c2ncc[nH]2)c2ccccc2)CC1(F)F ZINC000658222289 1121232293 /nfs/dbraw/zinc/23/22/93/1121232293.db2.gz QMUNGPATPPCVDG-HIFRSBDPSA-N 0 1 291.345 3.524 20 0 CHADMN CO[C@H](CN[C@@H](C)c1coc2ccccc21)C(F)(F)F ZINC000925842809 1121246880 /nfs/dbraw/zinc/24/68/80/1121246880.db2.gz BDNRUVMTWQELTC-TVQRCGJNSA-N 0 1 287.281 3.661 20 0 CHADMN CCn1cc([C@@H](C)N[C@@H](C)c2ccc(C)c(F)c2)cn1 ZINC000094953051 1121247702 /nfs/dbraw/zinc/24/77/02/1121247702.db2.gz DHBRNUOENWJFAO-QWHCGFSZSA-N 0 1 275.371 3.762 20 0 CHADMN Cc1ccccc1[C@H](C(C)C)N(C)Cc1nccn1C ZINC000112357572 1121254939 /nfs/dbraw/zinc/25/49/39/1121254939.db2.gz OBSVYVXUSYISIZ-KRWDZBQOSA-N 0 1 271.408 3.558 20 0 CHADMN CC(C)[C@@H](c1ccccc1)N(C)CC(=O)c1cccn1C ZINC000112698981 1121255691 /nfs/dbraw/zinc/25/56/91/1121255691.db2.gz OMNFWKLCXWFDDG-SFHVURJKSA-N 0 1 284.403 3.537 20 0 CHADMN Clc1ccc([C@H]2CC[C@@H](NCc3ncccn3)C2)cc1 ZINC000658276082 1121269582 /nfs/dbraw/zinc/26/95/82/1121269582.db2.gz NRWFYQLBTDKCJF-DZGCQCFKSA-N 0 1 287.794 3.556 20 0 CHADMN CCOc1cc(Nc2cc(OC)c(C)cn2)ccc1OC ZINC001212541399 1121269880 /nfs/dbraw/zinc/26/98/80/1121269880.db2.gz DCLBPCGRSAKPDL-UHFFFAOYSA-N 0 1 288.347 3.550 20 0 CHADMN COc1cc(CN[C@@H]2COc3ccccc32)ccc1Cl ZINC000703635648 1121283497 /nfs/dbraw/zinc/28/34/97/1121283497.db2.gz AOVLLEMCAPWOBU-CQSZACIVSA-N 0 1 289.762 3.572 20 0 CHADMN CCC(CC)(CC)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000675441243 1121295248 /nfs/dbraw/zinc/29/52/48/1121295248.db2.gz SMRDMTVGBGEJLM-CQSZACIVSA-N 0 1 296.480 3.683 20 0 CHADMN c1nc(CN2CCC[C@]3(CCCc4ccccc43)C2)co1 ZINC000432728487 1121299138 /nfs/dbraw/zinc/29/91/38/1121299138.db2.gz CGIXEFMBKGDNLM-GOSISDBHSA-N 0 1 282.387 3.545 20 0 CHADMN CC[C@@H]1CCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000432729315 1121299485 /nfs/dbraw/zinc/29/94/85/1121299485.db2.gz QCOWZFGOPXDFBZ-SECBINFHSA-N 0 1 263.328 3.999 20 0 CHADMN C[C@H](NCc1cccc(F)c1F)c1cccc(F)c1 ZINC000042336729 1121302506 /nfs/dbraw/zinc/30/25/06/1121302506.db2.gz GIHCXOLKGFTWOO-JTQLQIEISA-N 0 1 265.278 3.955 20 0 CHADMN CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cccc2ccccc21 ZINC000675459229 1121303287 /nfs/dbraw/zinc/30/32/87/1121303287.db2.gz OXFWGZPHTCHTHP-PBHICJAKSA-N 0 1 269.388 3.839 20 0 CHADMN O=c1cc(Nc2cccc3ccsc32)nc(Cl)[nH]1 ZINC001175377184 1121305093 /nfs/dbraw/zinc/30/50/93/1121305093.db2.gz IZADKQRTROVZPS-UHFFFAOYSA-N 0 1 277.736 3.794 20 0 CHADMN COc1cncc(CN[C@H](C)c2cccc(Cl)c2)c1C ZINC000631032505 1128980301 /nfs/dbraw/zinc/98/03/01/1128980301.db2.gz FKZUWAMOXLQGQK-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN COc1ccccc1[C@H]1CN(CCC(C)(C)C)CCO1 ZINC001175427671 1121321330 /nfs/dbraw/zinc/32/13/30/1121321330.db2.gz QNVKLYRPICULLN-MRXNPFEDSA-N 0 1 277.408 3.505 20 0 CHADMN c1cc2c(o1)CCC[C@H]2NCc1cccc2c1OCCCO2 ZINC000124836999 1121323750 /nfs/dbraw/zinc/32/37/50/1121323750.db2.gz LCFBHYMOBPHIOJ-OAHLLOKOSA-N 0 1 299.370 3.608 20 0 CHADMN CCCC[C@@H](CC)CCN1CCC[C@H]1c1nncn1C ZINC000438096781 1121326574 /nfs/dbraw/zinc/32/65/74/1121326574.db2.gz KMZZLMNYTCBKNW-CABCVRRESA-N 0 1 278.444 3.559 20 0 CHADMN CCCCC[C@H]1CCCCN1Cc1nnc(C2CC2)o1 ZINC000662154591 1121331194 /nfs/dbraw/zinc/33/11/94/1121331194.db2.gz JVWSZQWNVXMULU-AWEZNQCLSA-N 0 1 277.412 3.882 20 0 CHADMN Cc1c2c[nH]nc2ccc1-n1ccc2c1c(N)ccc2F ZINC001175466928 1121331765 /nfs/dbraw/zinc/33/17/65/1121331765.db2.gz FMIIWERJQTUFFF-UHFFFAOYSA-N 0 1 280.306 3.537 20 0 CHADMN NC1(c2noc(-c3cccc(Cl)c3F)n2)CCCCC1 ZINC000124931753 1121334102 /nfs/dbraw/zinc/33/41/02/1121334102.db2.gz XBRGFTLXERUBRO-UHFFFAOYSA-N 0 1 295.745 3.647 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccsc2)cc(Cl)n1 ZINC000401966374 1121336974 /nfs/dbraw/zinc/33/69/74/1121336974.db2.gz FPYUSJWWDGJWQF-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN C[C@@H]1CC[C@@H](N(C)Cc2ccn(C3CCCC3)n2)C1 ZINC000429579745 1121339151 /nfs/dbraw/zinc/33/91/51/1121339151.db2.gz RMWUMRWIMKMPAF-CZUORRHYSA-N 0 1 261.413 3.619 20 0 CHADMN C[C@@H]1CC[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2F)C1 ZINC000429581787 1121340945 /nfs/dbraw/zinc/34/09/45/1121340945.db2.gz WPMZALJPJNNSIU-PWSUYJOCSA-N 0 1 298.789 3.538 20 0 CHADMN Cc1ncccc1CN1CCC[C@@](F)(c2ccccc2)C1 ZINC001175491064 1121341129 /nfs/dbraw/zinc/34/11/29/1121341129.db2.gz IXCWQEKEWGBDKF-SFHVURJKSA-N 0 1 284.378 3.851 20 0 CHADMN COc1cccc(-c2cc(Nc3cncs3)on2)c1 ZINC001175494676 1121343403 /nfs/dbraw/zinc/34/34/03/1121343403.db2.gz BNLZNSYDYPTSGY-UHFFFAOYSA-N 0 1 273.317 3.550 20 0 CHADMN COc1ccc(-c2cc(Nc3cncs3)on2)cc1 ZINC001175495834 1121343592 /nfs/dbraw/zinc/34/35/92/1121343592.db2.gz NRQJBLBSKPLRGF-UHFFFAOYSA-N 0 1 273.317 3.550 20 0 CHADMN CCn1nccc1CN[C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000125229028 1121346067 /nfs/dbraw/zinc/34/60/67/1121346067.db2.gz BMSIYUGFHJGQDX-HNNXBMFYSA-N 0 1 287.407 3.608 20 0 CHADMN C[C@@H]1CC2(CCC2)CN1Cc1nccn1-c1ccccc1 ZINC000432790230 1121352196 /nfs/dbraw/zinc/35/21/96/1121352196.db2.gz VZKSADUIVUFTEH-OAHLLOKOSA-N 0 1 281.403 3.637 20 0 CHADMN CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432789605 1121352435 /nfs/dbraw/zinc/35/24/35/1121352435.db2.gz TZMHRUWBRCZFOI-CHWSQXEVSA-N 0 1 278.444 3.503 20 0 CHADMN CC[C@@H]1CCCC[C@H]1N(C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432789605 1121352441 /nfs/dbraw/zinc/35/24/41/1121352441.db2.gz TZMHRUWBRCZFOI-CHWSQXEVSA-N 0 1 278.444 3.503 20 0 CHADMN C[C@H](N[C@H]1CSCc2ccccc21)c1cncc(F)c1 ZINC000675782566 1121360420 /nfs/dbraw/zinc/36/04/20/1121360420.db2.gz JGMOQFRIYNRGCE-ZBEGNZNMSA-N 0 1 288.391 3.859 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(Cl)nc1C ZINC001175524304 1121362127 /nfs/dbraw/zinc/36/21/27/1121362127.db2.gz RFKJGMKVUIARQA-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccnc(Cl)c1F ZINC001175523473 1121362921 /nfs/dbraw/zinc/36/29/21/1121362921.db2.gz HOEREITVUYQBOY-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN CCc1ccc(Nc2c3cn[nH]c3ccc2C)cn1 ZINC001175524218 1121363165 /nfs/dbraw/zinc/36/31/65/1121363165.db2.gz PVJJHCFLDHFCAC-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1nsc2ncccc12 ZINC001175523266 1121363471 /nfs/dbraw/zinc/36/34/71/1121363471.db2.gz DADQPWLOJWKDNU-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(O)c(F)cc1F ZINC001175525419 1121365564 /nfs/dbraw/zinc/36/55/64/1121365564.db2.gz BEEWPVPMZQJLHR-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN COc1cc(Nc2c3cn[nH]c3ccc2C)cc(OC)c1 ZINC001175525349 1121366293 /nfs/dbraw/zinc/36/62/93/1121366293.db2.gz CCRRRSHKZSCNOQ-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(CO)cc1Cl ZINC001175527027 1121368802 /nfs/dbraw/zinc/36/88/02/1121368802.db2.gz BIZQIQKNEDULHB-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2ocnc2c1 ZINC001175526310 1121369547 /nfs/dbraw/zinc/36/95/47/1121369547.db2.gz SWSHSXSDLMJDHD-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(Cl)c(F)cc1N ZINC001175526022 1121369653 /nfs/dbraw/zinc/36/96/53/1121369653.db2.gz MVDGTWXLKZEFFM-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN CC(=O)c1ccc(F)c(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175527590 1121370744 /nfs/dbraw/zinc/37/07/44/1121370744.db2.gz QHSMHXDRUXULGK-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN COCc1ccc(Nc2c3cn[nH]c3ccc2C)cc1 ZINC001175527238 1121371751 /nfs/dbraw/zinc/37/17/51/1121371751.db2.gz IPWDYEIEKYBEHW-UHFFFAOYSA-N 0 1 267.332 3.761 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(-c3ccccc3)o2)[nH]n1 ZINC000675893498 1121376279 /nfs/dbraw/zinc/37/62/79/1121376279.db2.gz MSSWCOGDGNIABV-CYBMUJFWSA-N 0 1 281.359 3.829 20 0 CHADMN CCc1ccc(N[C@@H](c2nnc[nH]2)c2ccccc2)cc1F ZINC000675896064 1121378200 /nfs/dbraw/zinc/37/82/00/1121378200.db2.gz XUYXKXLOZNNRHL-MRXNPFEDSA-N 0 1 296.349 3.708 20 0 CHADMN Cc1ccc(Cl)c(N[C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000675925046 1121383170 /nfs/dbraw/zinc/38/31/70/1121383170.db2.gz GOXAMBAMYYCOHL-OAHLLOKOSA-N 0 1 298.777 3.968 20 0 CHADMN CCc1cccc(Nc2cccc(N3CCN(C)CC3)c2)c1 ZINC001175553852 1121384765 /nfs/dbraw/zinc/38/47/65/1121384765.db2.gz XKJKUQJJVVMXED-UHFFFAOYSA-N 0 1 295.430 3.744 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2CC(=O)c2ccccc2)cn1 ZINC000439885995 1121385307 /nfs/dbraw/zinc/38/53/07/1121385307.db2.gz DVCLEKRNDNLUHD-SFHVURJKSA-N 0 1 294.398 3.627 20 0 CHADMN CCc1cccc(Nc2ccnn2-c2ccncc2)c1 ZINC001175554556 1121385809 /nfs/dbraw/zinc/38/58/09/1121385809.db2.gz ZFSMSQBTFXUMBU-UHFFFAOYSA-N 0 1 264.332 3.573 20 0 CHADMN C[C@H](N[C@@H]1CCCC1(C)C)c1noc(-c2ccccc2)n1 ZINC000675937229 1121388423 /nfs/dbraw/zinc/38/84/23/1121388423.db2.gz UGBYGKYIWRQVIF-GXTWGEPZSA-N 0 1 285.391 3.966 20 0 CHADMN Cc1nc(Br)cnc1N=CCC(C)(C)C ZINC001175569047 1121389895 /nfs/dbraw/zinc/38/98/95/1121389895.db2.gz GIBMQNRVSREEJJ-AATRIKPKSA-N 0 1 270.174 3.519 20 0 CHADMN Cc1ncc(N=CCC(C)(C)C)nc1Br ZINC001175572107 1121391237 /nfs/dbraw/zinc/39/12/37/1121391237.db2.gz IFBURIFKSSHUBP-AATRIKPKSA-N 0 1 270.174 3.519 20 0 CHADMN CC1(CN2CCc3ccc(F)c(F)c3C2)CCC1 ZINC000432822465 1121392505 /nfs/dbraw/zinc/39/25/05/1121392505.db2.gz FXONKIXAEZJOOK-UHFFFAOYSA-N 0 1 251.320 3.513 20 0 CHADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000662217220 1121397756 /nfs/dbraw/zinc/39/77/56/1121397756.db2.gz WXRHNDPMEZPGPJ-DZGCQCFKSA-N 0 1 289.419 3.527 20 0 CHADMN Cc1ccc(CN[C@H](c2cnn(C)c2)C(C)(C)C)c(F)c1 ZINC000631082128 1128983411 /nfs/dbraw/zinc/98/34/11/1128983411.db2.gz CRMNXPWHXMXHOF-MRXNPFEDSA-N 0 1 289.398 3.745 20 0 CHADMN C[C@@H]1CCC[C@H](N[C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000345051903 1121411961 /nfs/dbraw/zinc/41/19/61/1121411961.db2.gz AMGSKNBBMLENDH-KCXAZCMYSA-N 0 1 287.382 3.807 20 0 CHADMN Cc1ccc([C@@H](C)N(C)C(=O)c2cc(C3CC3)[nH]n2)c(C)c1 ZINC000345052258 1121411994 /nfs/dbraw/zinc/41/19/94/1121411994.db2.gz WRBWXGAGYYGDSQ-CYBMUJFWSA-N 0 1 297.402 3.737 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccnc(Cl)c3F)cc12 ZINC001175694505 1121414572 /nfs/dbraw/zinc/41/45/72/1121414572.db2.gz RDXVMIVZTNYEAX-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(OC(F)F)nc3)cc12 ZINC001175693786 1121414738 /nfs/dbraw/zinc/41/47/38/1121414738.db2.gz KFMMKCFULSHMHZ-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN COc1cncc(C[N@H+]2CCc3ccccc3[C@@H]2C(C)C)c1 ZINC000676244683 1121414890 /nfs/dbraw/zinc/41/48/90/1121414890.db2.gz TYPBCRKXZZJYFK-IBGZPJMESA-N 0 1 296.414 3.846 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(C(C)(C)C)no3)cc12 ZINC001175694961 1121414899 /nfs/dbraw/zinc/41/48/99/1121414899.db2.gz CMBBJZPWYGORMO-UHFFFAOYSA-N 0 1 270.336 3.900 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cnc(Cl)nc3Cl)cc12 ZINC001175694844 1121415011 /nfs/dbraw/zinc/41/50/11/1121415011.db2.gz ADWNPJDPLUQHOU-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4ncoc4c3)cc12 ZINC001175699367 1121416117 /nfs/dbraw/zinc/41/61/17/1121416117.db2.gz OSPHHMOJDJLJNU-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN CC(C)c1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])c(C(C)C)c1 ZINC000676230450 1121416420 /nfs/dbraw/zinc/41/64/20/1121416420.db2.gz IEIQCOCBXVIJGN-KRWDZBQOSA-N 0 1 289.419 3.982 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(O)c(C)c3C)cc12 ZINC001175700367 1121417601 /nfs/dbraw/zinc/41/76/01/1121417601.db2.gz KRIPRFLMKJRSKQ-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(Cl)ccc3N)cc12 ZINC001175700460 1121417676 /nfs/dbraw/zinc/41/76/76/1121417676.db2.gz LLBNMTRHOSOWBO-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN COc1cc(F)c(Nc2ccc3n[nH]c(C)c3c2)c(F)c1 ZINC001175700286 1121417694 /nfs/dbraw/zinc/41/76/94/1121417694.db2.gz IQUDEKHOHWXGGH-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN COc1cc(C)cc(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175700511 1121417703 /nfs/dbraw/zinc/41/77/03/1121417703.db2.gz MWVPOAMOCLQGAW-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN COC(=O)c1cc(F)ccc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175700256 1121418058 /nfs/dbraw/zinc/41/80/58/1121418058.db2.gz IAHRZZYTGFIUIK-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1[nH]nc2ccc(Nc3c(C)cccc3O)cc12 ZINC001175700246 1121418081 /nfs/dbraw/zinc/41/80/81/1121418081.db2.gz HYOSBHOMIBCUSC-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COc1ccc(Cl)c(Nc2ccc3n[nH]c(C)c3c2)n1 ZINC001175699502 1121418152 /nfs/dbraw/zinc/41/81/52/1121418152.db2.gz QSVXLFLATZTTOW-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(C)cc(C)c3O)cc12 ZINC001175700293 1121418275 /nfs/dbraw/zinc/41/82/75/1121418275.db2.gz YGYIHFXBTINEBA-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN COCc1cccc(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175701888 1121418996 /nfs/dbraw/zinc/41/89/96/1121418996.db2.gz IPXMRQBQLVILGU-UHFFFAOYSA-N 0 1 267.332 3.761 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4ncn(C)c43)cc12 ZINC001175702207 1121420785 /nfs/dbraw/zinc/42/07/85/1121420785.db2.gz OMZNTVIMNUJDEA-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4snnc43)cc21 ZINC001175702245 1121421087 /nfs/dbraw/zinc/42/10/87/1121421087.db2.gz QACOXPYVIMDKIV-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1[nH]nc2cc(Nc3csc4nccnc34)ccc12 ZINC001175656295 1121422145 /nfs/dbraw/zinc/42/21/45/1121422145.db2.gz DXSJVHFUVWGSRV-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN FC(F)Oc1ccccc1NCc1[nH]nc2ccccc21 ZINC000676316398 1121423321 /nfs/dbraw/zinc/42/33/21/1121423321.db2.gz IDVYNVLAPYMMNM-UHFFFAOYSA-N 0 1 289.285 3.776 20 0 CHADMN Cc1[nH]nc2cc(Nc3ncc(C)cc3Cl)ccc12 ZINC001175657530 1121423570 /nfs/dbraw/zinc/42/35/70/1121423570.db2.gz UQVOCZZXSFLEAR-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN CCOCc1cccc(NCc2[nH]nc3ccccc32)c1 ZINC000676322892 1121424135 /nfs/dbraw/zinc/42/41/35/1121424135.db2.gz XTOJKOUBGXVROC-UHFFFAOYSA-N 0 1 281.359 3.712 20 0 CHADMN COc1ccc(Cl)c(Nc2ccc3c(C)[nH]nc3c2)n1 ZINC001175659469 1121424299 /nfs/dbraw/zinc/42/42/99/1121424299.db2.gz CBEYSZPVYGVNGY-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN COc1ccc(Nc2ccc3c(c2)n[nH]c3C)cc1 ZINC001175661162 1121424615 /nfs/dbraw/zinc/42/46/15/1121424615.db2.gz BJHPFCXWMHIIIK-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cc1cc(Nc2ccc3c(C)[nH]nc3c2)n(CC2CCC2)n1 ZINC001175660857 1121424898 /nfs/dbraw/zinc/42/48/98/1121424898.db2.gz XHGILPGSXOZLCO-UHFFFAOYSA-N 0 1 295.390 3.920 20 0 CHADMN Cc1n[nH]c2cc(Nc3cnc4cccc(C)n34)ccc12 ZINC001175660501 1121425099 /nfs/dbraw/zinc/42/50/99/1121425099.db2.gz QDNQAENSIDUFJI-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4c(cnn4C)c3)ccc12 ZINC001175661607 1121425123 /nfs/dbraw/zinc/42/51/23/1121425123.db2.gz ONSITPJCUWVYHV-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN COc1cc(Nc2ccc3c(c2)n[nH]c3C)ccc1C ZINC001175662697 1121425750 /nfs/dbraw/zinc/42/57/50/1121425750.db2.gz XRXYERMVAXMJDC-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(C)c(O)c3)ccc12 ZINC001175662745 1121427336 /nfs/dbraw/zinc/42/73/36/1121427336.db2.gz YVPAJLBMNRWTLO-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4c(c3)[C@@H](O)CCC4)ccc12 ZINC001175662980 1121428200 /nfs/dbraw/zinc/42/82/00/1121428200.db2.gz MQAIIWCYYTVDGK-SFHVURJKSA-N 0 1 293.370 3.985 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4c3C(=O)CC4)ccc12 ZINC001175663100 1121428261 /nfs/dbraw/zinc/42/82/61/1121428261.db2.gz SVUFZMNRTCMTSF-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nccnc1C)c1ccccc1 ZINC000219121413 1121429946 /nfs/dbraw/zinc/42/99/46/1121429946.db2.gz KOJCUJFGGFSNJL-DZGCQCFKSA-N 0 1 255.365 3.587 20 0 CHADMN Cc1ccccc1C1(NCc2ccc(Cl)nc2)CC1 ZINC000829490718 1121430167 /nfs/dbraw/zinc/43/01/67/1121430167.db2.gz YSAMAAUFXHIYNN-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN COC(=O)c1cccc(Nc2ccc3n[nH]c(C)c3c2)c1F ZINC001175703123 1121430430 /nfs/dbraw/zinc/43/04/30/1121430430.db2.gz YAPOBVIURXMWFV-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc3c2NCCC3)o1 ZINC000893898003 1121435379 /nfs/dbraw/zinc/43/53/79/1121435379.db2.gz STRPXCDJSLREBH-UHFFFAOYSA-N 0 1 270.376 3.578 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(SC)o2)cc1 ZINC000893881558 1121435917 /nfs/dbraw/zinc/43/59/17/1121435917.db2.gz WDPRVLXIQMRWIW-UHFFFAOYSA-N 0 1 277.389 3.642 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2[nH]nc(C)c2C)cc1 ZINC000893910862 1121439331 /nfs/dbraw/zinc/43/93/31/1121439331.db2.gz OOVZIEKCECUXNW-SFHVURJKSA-N 0 1 299.418 3.762 20 0 CHADMN C[C@@H](NCc1cnn(C)c1C1CC1)c1cc2ccccc2o1 ZINC000893911655 1121439625 /nfs/dbraw/zinc/43/96/25/1121439625.db2.gz SVQHYOMKPDHUEJ-GFCCVEGCSA-N 0 1 295.386 3.895 20 0 CHADMN Cc1[nH]nc(CN(C)[C@@H](C)c2cccc(Cl)c2)c1C ZINC000893929454 1121441247 /nfs/dbraw/zinc/44/12/47/1121441247.db2.gz TZFXFLWSGXMNHA-LBPRGKRZSA-N 0 1 277.799 3.873 20 0 CHADMN CC[C@H](C)CN1CCc2c3cc(OC)ccc3[nH]c2C1 ZINC001175741438 1121445071 /nfs/dbraw/zinc/44/50/71/1121445071.db2.gz LCVNIWLMNWXBQJ-LBPRGKRZSA-N 0 1 272.392 3.581 20 0 CHADMN Fc1cc2c(cc1F)CN(CC1CC3(CCC3)C1)CC2 ZINC001175741459 1121445630 /nfs/dbraw/zinc/44/56/30/1121445630.db2.gz LZXVFANIUAUXQS-UHFFFAOYSA-N 0 1 277.358 3.903 20 0 CHADMN CC(C)c1cc2ncc(N=C3CCCCC3)cn2n1 ZINC001175752721 1121447681 /nfs/dbraw/zinc/44/76/81/1121447681.db2.gz YQSAGRLSGSCFOK-UHFFFAOYSA-N 0 1 256.353 3.723 20 0 CHADMN CC(C)c1c[nH]c(CN(C)C[C@H](C)c2ccccc2)n1 ZINC000893995485 1121450935 /nfs/dbraw/zinc/45/09/35/1121450935.db2.gz LWSVFWYTDKVYES-AWEZNQCLSA-N 0 1 271.408 3.769 20 0 CHADMN Clc1ccc(CN2C3CCCC2CCC3)cn1 ZINC000707153992 1121451749 /nfs/dbraw/zinc/45/17/49/1121451749.db2.gz BIYBSHSDEIDULQ-UHFFFAOYSA-N 0 1 250.773 3.642 20 0 CHADMN Fc1cnc(Br)cc1NC1=CCCCC1 ZINC001175753639 1121451985 /nfs/dbraw/zinc/45/19/85/1121451985.db2.gz YBBBOFHPVPKVFA-UHFFFAOYSA-N 0 1 271.133 3.853 20 0 CHADMN CCc1ccc(CN(C)Cc2cc(C)c(OC)c(C)c2)nc1 ZINC000549806853 1121452679 /nfs/dbraw/zinc/45/26/79/1121452679.db2.gz WBFDMAFDDUVADJ-UHFFFAOYSA-N 0 1 298.430 3.901 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1ccc(C)cc1F ZINC000631107097 1128985502 /nfs/dbraw/zinc/98/55/02/1128985502.db2.gz ZJMHNLBKTBXJGX-CYBMUJFWSA-N 0 1 272.367 3.942 20 0 CHADMN Cc1cscc1Nc1ccc(N2CCN(C)CC2)cc1 ZINC001175765238 1121458558 /nfs/dbraw/zinc/45/85/58/1121458558.db2.gz KLVXZKHJHZJFOT-UHFFFAOYSA-N 0 1 287.432 3.552 20 0 CHADMN Cc1n[nH]c(CN2CCC(c3ccccc3F)CC2)c1C ZINC000894039942 1121459036 /nfs/dbraw/zinc/45/90/36/1121459036.db2.gz OUCOBWNLNHUWJW-UHFFFAOYSA-N 0 1 287.382 3.545 20 0 CHADMN CCc1nc(C)c([C@H](C)N(C)Cc2n[nH]c(C)c2C)s1 ZINC000894048911 1121459969 /nfs/dbraw/zinc/45/99/69/1121459969.db2.gz DMDOSIVVVOYXIN-LBPRGKRZSA-N 0 1 292.452 3.547 20 0 CHADMN Clc1ccc(CN2CC[C@H](C3CCCCC3)C2)nn1 ZINC000708827737 1121466171 /nfs/dbraw/zinc/46/61/71/1121466171.db2.gz UBWKYHJWPDKIHB-ZDUSSCGKSA-N 0 1 279.815 3.532 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000132669365 1121468751 /nfs/dbraw/zinc/46/87/51/1121468751.db2.gz HMOUJNJMVOXLTG-KBPBESRZSA-N 0 1 269.429 3.778 20 0 CHADMN Cc1cc(CN[C@@H]2c3ccccc3CCC[C@H]2C)on1 ZINC000631114131 1128986366 /nfs/dbraw/zinc/98/63/66/1128986366.db2.gz WELXUERZPJCHLN-PXAZEXFGSA-N 0 1 270.376 3.786 20 0 CHADMN Clc1ccc(Cl)c(CNCCOC2CCC2)c1 ZINC000709829587 1121472374 /nfs/dbraw/zinc/47/23/74/1121472374.db2.gz BYPCKUGIWSQSHC-UHFFFAOYSA-N 0 1 274.191 3.652 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cn(C)cn1)c1ccc(Cl)cc1 ZINC000710007282 1121473290 /nfs/dbraw/zinc/47/32/90/1121473290.db2.gz PBVOKQJAOQLQJU-SMDDNHRTSA-N 0 1 277.799 3.875 20 0 CHADMN COc1cccc(-n2c(N)nc3ccc(C)cc32)c1Cl ZINC001175893386 1121478938 /nfs/dbraw/zinc/47/89/38/1121478938.db2.gz CHDBNZGUVJCLDB-UHFFFAOYSA-N 0 1 287.750 3.578 20 0 CHADMN C[C@H]1CCC(=Cc2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000545726504 1121480535 /nfs/dbraw/zinc/48/05/35/1121480535.db2.gz UHPIBCWFGHLDTN-VUBLIPMDSA-N 0 1 280.331 3.816 20 0 CHADMN C[C@H]1CCC(=Cc2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000545726502 1121481527 /nfs/dbraw/zinc/48/15/27/1121481527.db2.gz UHPIBCWFGHLDTN-QBQSQJOESA-N 0 1 280.331 3.816 20 0 CHADMN COc1cc(CN2CCC[C@H](C)[C@@H]2C)cc(Cl)c1OC ZINC000512583540 1121482280 /nfs/dbraw/zinc/48/22/80/1121482280.db2.gz SWULXMOWGSXJBM-RYUDHWBXSA-N 0 1 297.826 3.978 20 0 CHADMN CN(Cc1cc(-c2ccccc2Cl)on1)CC1CC1 ZINC000419215448 1121482859 /nfs/dbraw/zinc/48/28/59/1121482859.db2.gz YZSDPIKGIMDJJA-UHFFFAOYSA-N 0 1 276.767 3.837 20 0 CHADMN C[C@H]1CSCCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000432932393 1121484746 /nfs/dbraw/zinc/48/47/46/1121484746.db2.gz PODBRCUQUWDNRT-SECBINFHSA-N 0 1 295.395 3.952 20 0 CHADMN CN(CCC1CCCCC1)Cc1n[nH]c(C(C)(C)C)n1 ZINC000432934509 1121485543 /nfs/dbraw/zinc/48/55/43/1121485543.db2.gz USTNECDTXFBRDT-UHFFFAOYSA-N 0 1 278.444 3.504 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000432938048 1121487300 /nfs/dbraw/zinc/48/73/00/1121487300.db2.gz MENQNCWYYGMEPT-OAHLLOKOSA-N 0 1 298.434 3.748 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000432937865 1121488201 /nfs/dbraw/zinc/48/82/01/1121488201.db2.gz IYYKURYSXFPQBM-CYBMUJFWSA-N 0 1 286.423 3.604 20 0 CHADMN c1nn(C2CC2)cc1Nc1ccncc1Oc1ccccc1 ZINC001175957762 1121501511 /nfs/dbraw/zinc/50/15/11/1121501511.db2.gz BFQNTYNBMXPBRJ-UHFFFAOYSA-N 0 1 292.342 3.571 20 0 CHADMN CCCOc1cccc(CNCc2c(C)noc2CC)c1 ZINC000922988863 1121507377 /nfs/dbraw/zinc/50/73/77/1121507377.db2.gz VZRZDNQXVXEXPA-UHFFFAOYSA-N 0 1 288.391 3.624 20 0 CHADMN O=C1C[C@]2(CCCN([C@H]3C=CCCC3)C2)Oc2ccccc21 ZINC000625800945 1121508749 /nfs/dbraw/zinc/50/87/49/1121508749.db2.gz MWXZDVBCLLAIQZ-KXBFYZLASA-N 0 1 297.398 3.595 20 0 CHADMN CCCCN(C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000073879227 1121512847 /nfs/dbraw/zinc/51/28/47/1121512847.db2.gz RHNJMWYDLZGGSB-UHFFFAOYSA-N 0 1 262.328 3.713 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3ccc(O)cc32)c(F)c1 ZINC000631175173 1128989313 /nfs/dbraw/zinc/98/93/13/1128989313.db2.gz LDAOLUYUDFNYGE-KRWDZBQOSA-N 0 1 271.335 3.617 20 0 CHADMN Oc1cccc(CNCc2cccc(C(F)(F)F)c2)c1 ZINC000019906745 1121516053 /nfs/dbraw/zinc/51/60/53/1121516053.db2.gz PXAIPMQUEZKWDT-UHFFFAOYSA-N 0 1 281.277 3.701 20 0 CHADMN CC(C)[C@@H]1CCN1Cc1nc2ccc(F)cc2s1 ZINC000433014584 1121517902 /nfs/dbraw/zinc/51/79/02/1121517902.db2.gz FJVJQJXMDXKJIC-LBPRGKRZSA-N 0 1 264.369 3.666 20 0 CHADMN c1ccc(-c2ccc(Nc3ccc4nn[nH]c4c3)cc2)nc1 ZINC001176002458 1121518868 /nfs/dbraw/zinc/51/88/68/1121518868.db2.gz NYWHHQWRNANWPR-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1ccc(-c2ccc(Nc3ccc4n[nH]nc4c3)cc2)nc1 ZINC001176002458 1121518875 /nfs/dbraw/zinc/51/88/75/1121518875.db2.gz NYWHHQWRNANWPR-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN Oc1cc(Cl)c(Cl)cc1Nc1ccc2nn[nH]c2c1 ZINC001176002162 1121518982 /nfs/dbraw/zinc/51/89/82/1121518982.db2.gz HZIDXPDMZHMFLM-UHFFFAOYSA-N 0 1 295.129 3.714 20 0 CHADMN Oc1cc(Cl)c(Cl)cc1Nc1ccc2n[nH]nc2c1 ZINC001176002162 1121518985 /nfs/dbraw/zinc/51/89/85/1121518985.db2.gz HZIDXPDMZHMFLM-UHFFFAOYSA-N 0 1 295.129 3.714 20 0 CHADMN Cc1nc2ccccn2c1CN(C)Cc1cc(C)ccc1C ZINC000429303809 1121519916 /nfs/dbraw/zinc/51/99/16/1121519916.db2.gz DCCZGTLDAJYKMQ-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN Nc1ccccc1N(c1ccc2nn[nH]c2c1)C1CCCC1 ZINC001176005493 1121520329 /nfs/dbraw/zinc/52/03/29/1121520329.db2.gz UXUVQBGMTLUSIY-UHFFFAOYSA-N 0 1 293.374 3.621 20 0 CHADMN Nc1ccccc1N(c1ccc2n[nH]nc2c1)C1CCCC1 ZINC001176005493 1121520334 /nfs/dbraw/zinc/52/03/34/1121520334.db2.gz UXUVQBGMTLUSIY-UHFFFAOYSA-N 0 1 293.374 3.621 20 0 CHADMN Nc1cc(Cl)c(Nc2ccc3nn[nH]c3c2)cc1Cl ZINC001176004460 1121520353 /nfs/dbraw/zinc/52/03/53/1121520353.db2.gz NNCVAFLXYKCSPR-UHFFFAOYSA-N 0 1 294.145 3.591 20 0 CHADMN Nc1cc(Cl)c(Nc2ccc3n[nH]nc3c2)cc1Cl ZINC001176004460 1121520358 /nfs/dbraw/zinc/52/03/58/1121520358.db2.gz NNCVAFLXYKCSPR-UHFFFAOYSA-N 0 1 294.145 3.591 20 0 CHADMN CC(C)c1cccc(Nc2ccc3nn[nH]c3c2)c1 ZINC001176006151 1121520828 /nfs/dbraw/zinc/52/08/28/1121520828.db2.gz VDKBVWJVAHADQV-UHFFFAOYSA-N 0 1 252.321 3.825 20 0 CHADMN CC(C)c1cccc(Nc2ccc3n[nH]nc3c2)c1 ZINC001176006151 1121520831 /nfs/dbraw/zinc/52/08/31/1121520831.db2.gz VDKBVWJVAHADQV-UHFFFAOYSA-N 0 1 252.321 3.825 20 0 CHADMN COc1cc(F)c(Cl)cc1Nc1ccc2nn[nH]c2c1 ZINC001176004170 1121520985 /nfs/dbraw/zinc/52/09/85/1121520985.db2.gz ZIZQPXYXBRBBNO-UHFFFAOYSA-N 0 1 292.701 3.503 20 0 CHADMN COc1cc(F)c(Cl)cc1Nc1ccc2n[nH]nc2c1 ZINC001176004170 1121520990 /nfs/dbraw/zinc/52/09/90/1121520990.db2.gz ZIZQPXYXBRBBNO-UHFFFAOYSA-N 0 1 292.701 3.503 20 0 CHADMN Fc1cccc(Nc2ccc3nn[nH]c3c2)c1C(F)(F)F ZINC001176003410 1121521006 /nfs/dbraw/zinc/52/10/06/1121521006.db2.gz DPUDRRUZTCNWPW-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Fc1cccc(Nc2ccc3n[nH]nc3c2)c1C(F)(F)F ZINC001176003410 1121521010 /nfs/dbraw/zinc/52/10/10/1121521010.db2.gz DPUDRRUZTCNWPW-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Oc1ccc(Nc2ccc3nn[nH]c3c2)c2ccccc12 ZINC001176002708 1121521226 /nfs/dbraw/zinc/52/12/26/1121521226.db2.gz SIIZKFSYQJAGQG-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN Oc1ccc(Nc2ccc3n[nH]nc3c2)c2ccccc12 ZINC001176002708 1121521233 /nfs/dbraw/zinc/52/12/33/1121521233.db2.gz SIIZKFSYQJAGQG-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN C[C@@H]1CC2(CCC2)CN1Cc1ncccc1C(F)(F)F ZINC000433020673 1121521149 /nfs/dbraw/zinc/52/11/49/1121521149.db2.gz DDIGOWVLPNTKKS-LLVKDONJSA-N 0 1 284.325 3.865 20 0 CHADMN Clc1ccc2ncccc2c1Nc1ccc2nn[nH]c2c1 ZINC001176002658 1121521590 /nfs/dbraw/zinc/52/15/90/1121521590.db2.gz PXDLOARBEHZULS-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1ccc2ncccc2c1Nc1ccc2n[nH]nc2c1 ZINC001176002658 1121521596 /nfs/dbraw/zinc/52/15/96/1121521596.db2.gz PXDLOARBEHZULS-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN CCCc1ccc(Nc2ccc3nn[nH]c3c2)cc1 ZINC001176006101 1121522371 /nfs/dbraw/zinc/52/23/71/1121522371.db2.gz STEZTVBLJCAYDV-UHFFFAOYSA-N 0 1 252.321 3.654 20 0 CHADMN CCCc1ccc(Nc2ccc3n[nH]nc3c2)cc1 ZINC001176006101 1121522379 /nfs/dbraw/zinc/52/23/79/1121522379.db2.gz STEZTVBLJCAYDV-UHFFFAOYSA-N 0 1 252.321 3.654 20 0 CHADMN CCN(Cc1csc(C(=O)OC)c1)Cc1ccccc1 ZINC000411142097 1121523429 /nfs/dbraw/zinc/52/34/29/1121523429.db2.gz WYKHGJLVUQBJBJ-UHFFFAOYSA-N 0 1 289.400 3.557 20 0 CHADMN C[C@H](CNCc1ccon1)c1c(Cl)cccc1Cl ZINC000634958781 1121526738 /nfs/dbraw/zinc/52/67/38/1121526738.db2.gz ZNAHZAYOADIVJP-SECBINFHSA-N 0 1 285.174 3.875 20 0 CHADMN CC(C)c1ccc(CCCNCc2ccon2)cc1 ZINC000634962441 1121527363 /nfs/dbraw/zinc/52/73/63/1121527363.db2.gz TVSWGTNXVDCSMD-UHFFFAOYSA-N 0 1 258.365 3.520 20 0 CHADMN Nc1nc2ccccc2n1-c1ccc(-c2ccccn2)cc1 ZINC001176037883 1121528107 /nfs/dbraw/zinc/52/81/07/1121528107.db2.gz ZXNGTSQGLNLXDQ-UHFFFAOYSA-N 0 1 286.338 3.670 20 0 CHADMN FC(F)(F)c1cccc(Cl)c1Nc1ncc[nH]1 ZINC001176084436 1121533573 /nfs/dbraw/zinc/53/35/73/1121533573.db2.gz QITUQEGSERGFRC-UHFFFAOYSA-N 0 1 261.634 3.826 20 0 CHADMN CCc1ncc(CNCc2ccc3cccnc3c2)s1 ZINC000631206803 1128991990 /nfs/dbraw/zinc/99/19/90/1128991990.db2.gz JXVRBDNDIILRMA-UHFFFAOYSA-N 0 1 283.400 3.544 20 0 CHADMN c1nc(C2CC2)c(CNCc2ccc3cccnc3c2)s1 ZINC000631206666 1128992014 /nfs/dbraw/zinc/99/20/14/1128992014.db2.gz IDPQZXQMHFTBAS-UHFFFAOYSA-N 0 1 295.411 3.859 20 0 CHADMN CCCn1nc(C)c(CN2CCc3cccc(C)c3C2)c1C ZINC000433045597 1121535935 /nfs/dbraw/zinc/53/59/35/1121535935.db2.gz FGOWRMPWRZKTLD-UHFFFAOYSA-N 0 1 297.446 3.777 20 0 CHADMN CC(C)c1cnc(CN(C)[C@H]2CC[C@@H](C)C2)s1 ZINC000433052121 1121539781 /nfs/dbraw/zinc/53/97/81/1121539781.db2.gz KYBIPNGLFKKWGW-NEPJUHHUSA-N 0 1 252.427 3.887 20 0 CHADMN Cc1ccc2ncc(CN3CCc4cccc(C)c4C3)n2c1 ZINC000433059946 1121541697 /nfs/dbraw/zinc/54/16/97/1121541697.db2.gz WAHLWEQCZDCZEX-UHFFFAOYSA-N 0 1 291.398 3.509 20 0 CHADMN c1nc(CNC[C@@]2(Cc3ccccc3)C=CCCC2)co1 ZINC000631206687 1128992476 /nfs/dbraw/zinc/99/24/76/1128992476.db2.gz IKNGEXBCULKXQP-SFHVURJKSA-N 0 1 282.387 3.733 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)CC1 ZINC000923242545 1121545780 /nfs/dbraw/zinc/54/57/80/1121545780.db2.gz YUMUDZAKZQOUQS-CQSZACIVSA-N 0 1 279.424 3.534 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@H](c3ccc(CC)cc3)C2)n1 ZINC000433065023 1121547275 /nfs/dbraw/zinc/54/72/75/1121547275.db2.gz CWQXDKGJJCIBBP-BBRMVZONSA-N 0 1 299.418 3.745 20 0 CHADMN COc1ccnc([C@@H](C)N[C@H]2CCc3ccc(C)cc32)c1 ZINC000925373489 1121555909 /nfs/dbraw/zinc/55/59/09/1121555909.db2.gz DZYSGUBRSIQFDO-DYVFJYSZSA-N 0 1 282.387 3.737 20 0 CHADMN Cc1ccoc1CN(C)Cc1ccc2ncccc2c1 ZINC000429391009 1121561023 /nfs/dbraw/zinc/56/10/23/1121561023.db2.gz BBZMDOCGLDMETK-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN C[C@@H](F)CCN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000509380507 1121561247 /nfs/dbraw/zinc/56/12/47/1121561247.db2.gz UAMDLRPDWLIWMZ-PBHICJAKSA-N 0 1 272.367 3.641 20 0 CHADMN CCOCCN(Cc1ccccn1)[C@@H]1CCc2ccccc21 ZINC000625976898 1121563595 /nfs/dbraw/zinc/56/35/95/1121563595.db2.gz RXCYSTDUEMCJDS-LJQANCHMSA-N 0 1 296.414 3.608 20 0 CHADMN COCOc1ccc(Nc2cc(C)cc(C)n2)cc1F ZINC001176187222 1121567567 /nfs/dbraw/zinc/56/75/67/1121567567.db2.gz UAQZVTGVWPZZSX-UHFFFAOYSA-N 0 1 276.311 3.564 20 0 CHADMN C[C@H](c1cccc2ccccc21)N1CCO[C@H](CCF)C1 ZINC000626002047 1121572470 /nfs/dbraw/zinc/57/24/70/1121572470.db2.gz FJVILVQDEVLJLE-GDBMZVCRSA-N 0 1 287.378 3.961 20 0 CHADMN Cn1cc([C@@H](N[C@H]2CC23CCCC3)c2cccc(F)c2)cn1 ZINC000429421064 1121573122 /nfs/dbraw/zinc/57/31/22/1121573122.db2.gz FDASYTXUGFGVGU-IRXDYDNUSA-N 0 1 299.393 3.571 20 0 CHADMN FC(F)(F)c1cnc(NC=CCc2ccccc2)nc1 ZINC001176215166 1121574938 /nfs/dbraw/zinc/57/49/38/1121574938.db2.gz AKXCPSLSTNWPOT-XBXARRHUSA-N 0 1 279.265 3.664 20 0 CHADMN FC(F)(F)c1ccc2c(c1)CCN(CCOC1CCC1)C2 ZINC000626007462 1121575056 /nfs/dbraw/zinc/57/50/56/1121575056.db2.gz HCPQGKVPVDJNNM-UHFFFAOYSA-N 0 1 299.336 3.633 20 0 CHADMN Cc1ccc2nc(N)n(/C=C/Cc3ccccc3)c2c1 ZINC001176215821 1121575216 /nfs/dbraw/zinc/57/52/16/1121575216.db2.gz MKUDQVDGWICTPH-VZUCSPMQSA-N 0 1 263.344 3.640 20 0 CHADMN Oc1cccc2c1CCN([C@H]1CCc3ccc(F)cc31)C2 ZINC000626027010 1121583804 /nfs/dbraw/zinc/58/38/04/1121583804.db2.gz IJXROAVERZZFQO-KRWDZBQOSA-N 0 1 283.346 3.577 20 0 CHADMN c1nc(CNC2CC(Sc3ccccc3)C2)cs1 ZINC000924873210 1121584102 /nfs/dbraw/zinc/58/41/02/1121584102.db2.gz PVCQLNMCMYWTJQ-UHFFFAOYSA-N 0 1 276.430 3.556 20 0 CHADMN COc1cccc([C@@H](C)N2CCc3c(O)cccc3C2)c1 ZINC000626027228 1121585013 /nfs/dbraw/zinc/58/50/13/1121585013.db2.gz PDYSEIJRYILRGS-CYBMUJFWSA-N 0 1 283.371 3.520 20 0 CHADMN C[C@H](CC1CCC1)NCc1ncc(C(F)(F)F)s1 ZINC000631251737 1128995101 /nfs/dbraw/zinc/99/51/01/1128995101.db2.gz GHDNRNLOGSXSLI-MRVPVSSYSA-N 0 1 278.343 3.830 20 0 CHADMN CC[C@H](NCc1csc(C(=O)OC)c1)c1ccccc1 ZINC000411451264 1121588962 /nfs/dbraw/zinc/58/89/62/1121588962.db2.gz FPGPMGICYHEJRX-AWEZNQCLSA-N 0 1 289.400 3.776 20 0 CHADMN Cc1cccc(NC(=O)CN2CC[C@H](CC(C)C)C2)c1C ZINC000466736191 1121589122 /nfs/dbraw/zinc/58/91/22/1121589122.db2.gz UMFFJALMFNDZOZ-MRXNPFEDSA-N 0 1 288.435 3.610 20 0 CHADMN Clc1ccccc1CN1CCC(c2ncccn2)CC1 ZINC001176293985 1121592499 /nfs/dbraw/zinc/59/24/99/1121592499.db2.gz AYZBLUMZXTVZRF-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(C)cc1O ZINC001206268339 1121595965 /nfs/dbraw/zinc/59/59/65/1121595965.db2.gz RFHMCIPHWWPKPV-UHFFFAOYSA-N 0 1 271.295 3.539 20 0 CHADMN C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000318984283 1121606174 /nfs/dbraw/zinc/60/61/74/1121606174.db2.gz JHCRTUPKRFNNFO-YCPHGPKFSA-N 0 1 297.398 3.943 20 0 CHADMN CSc1ccc(N(C)C(=O)c2cn[nH]c2C(C)C)cc1 ZINC000631274220 1128996691 /nfs/dbraw/zinc/99/66/91/1128996691.db2.gz RSXIGLFDEAIHJP-UHFFFAOYSA-N 0 1 289.404 3.532 20 0 CHADMN COc1c(Cl)cc(Nc2ccnc(CO)c2)cc1Cl ZINC001176309580 1121606655 /nfs/dbraw/zinc/60/66/55/1121606655.db2.gz DOMPTQAWULNFME-UHFFFAOYSA-N 0 1 299.157 3.633 20 0 CHADMN Fc1cccc2c1SCC[C@H]2N[C@H]1CCC[C@H]1F ZINC000559916562 1121610886 /nfs/dbraw/zinc/61/08/86/1121610886.db2.gz IGSCAPMNPVBPGX-RTXFEEFZSA-N 0 1 269.360 3.843 20 0 CHADMN CCc1cc(-n2[nH]c(=O)c3cc(N)ccc32)ccc1Cl ZINC001176393169 1121611289 /nfs/dbraw/zinc/61/12/89/1121611289.db2.gz JGISRAAIAHPMMZ-UHFFFAOYSA-N 0 1 287.750 3.529 20 0 CHADMN CCOc1ccccc1CNCc1scnc1C1CC1 ZINC000486926550 1121616456 /nfs/dbraw/zinc/61/64/56/1121616456.db2.gz PAVWXTCLOJULPK-UHFFFAOYSA-N 0 1 288.416 3.709 20 0 CHADMN Cc1cc([C@H]2CCCN2CCOc2ccc(C)cc2)on1 ZINC000047273772 1121625589 /nfs/dbraw/zinc/62/55/89/1121625589.db2.gz KHQMEXGHLZUBCI-MRXNPFEDSA-N 0 1 286.375 3.507 20 0 CHADMN Cc1cc(Nc2ccc(O)cc2F)c2ccccc2n1 ZINC001176408765 1121625815 /nfs/dbraw/zinc/62/58/15/1121625815.db2.gz PVPFRWOITMMCMQ-UHFFFAOYSA-N 0 1 268.291 3.553 20 0 CHADMN COc1ccc2nc(N)n(/C=C/c3ccc(C)cc3)c2c1 ZINC001176423829 1121631371 /nfs/dbraw/zinc/63/13/71/1121631371.db2.gz GIGPLOHAVFKXIX-MDZDMXLPSA-N 0 1 279.343 3.563 20 0 CHADMN CCCn1c(C)nnc1CN(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419311883 1121642969 /nfs/dbraw/zinc/64/29/69/1121642969.db2.gz CDNDXRNCSNLNEP-HUUCEWRRSA-N 0 1 292.471 3.643 20 0 CHADMN FC(F)(F)c1cnc(CN[C@H]2CCC23CCCC3)s1 ZINC000433333443 1121649594 /nfs/dbraw/zinc/64/95/94/1121649594.db2.gz DKUUUAVIFFKGQR-VIFPVBQESA-N 0 1 290.354 3.974 20 0 CHADMN C[C@@H](NCc1ccc(-c2cc[nH]n2)o1)c1ccccc1 ZINC000433331286 1121649839 /nfs/dbraw/zinc/64/98/39/1121649839.db2.gz YYGGMJIMIYRRRU-GFCCVEGCSA-N 0 1 267.332 3.521 20 0 CHADMN CC(C)c1ccc(N(C)C(=O)[C@](C)(N)c2ccccc2)cc1 ZINC000192498871 1128999937 /nfs/dbraw/zinc/99/99/37/1128999937.db2.gz FISLZCJNXVNARW-LJQANCHMSA-N 0 1 296.414 3.647 20 0 CHADMN CCOc1ccc([C@H](C)NCc2ccc(C)cn2)cc1 ZINC000161729235 1121652161 /nfs/dbraw/zinc/65/21/61/1121652161.db2.gz BJNAKRJBMVPQGC-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN CSCc1cc(F)ccc1CN[C@@H](C)c1c[nH]nc1C ZINC000611520118 1121653814 /nfs/dbraw/zinc/65/38/14/1121653814.db2.gz ZKUGZTLQLZLGII-JTQLQIEISA-N 0 1 293.411 3.571 20 0 CHADMN CC[C@H](NCc1noc(-c2ccsc2)n1)[C@H]1CC1(C)C ZINC000419322346 1121654888 /nfs/dbraw/zinc/65/48/88/1121654888.db2.gz SFUBBVVANFCOPY-NEPJUHHUSA-N 0 1 291.420 3.712 20 0 CHADMN CCc1cccc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)c1CC ZINC000490158306 1121655780 /nfs/dbraw/zinc/65/57/80/1121655780.db2.gz LNUFUTMXZYBJSZ-KBPBESRZSA-N 0 1 288.435 3.623 20 0 CHADMN Cc1cc(C)cc([C@H]2CCN(Cc3nnc(C4CC4)o3)C2)c1 ZINC000544185702 1121659384 /nfs/dbraw/zinc/65/93/84/1121659384.db2.gz HRMGHOSVOYLPAM-HNNXBMFYSA-N 0 1 297.402 3.553 20 0 CHADMN CC(C)(C)Oc1ccc(Nc2cc(=O)[nH]c(Cl)n2)cc1 ZINC001176638218 1121666170 /nfs/dbraw/zinc/66/61/70/1121666170.db2.gz MUACHELDVZUXGR-UHFFFAOYSA-N 0 1 293.754 3.757 20 0 CHADMN CCS[C@@H]1CC[C@@H](N(C)Cc2ncc(C(C)C)o2)C1 ZINC000076067783 1129001424 /nfs/dbraw/zinc/00/14/24/1129001424.db2.gz GKUTXTFSZDYZFS-CHWSQXEVSA-N 0 1 282.453 3.904 20 0 CHADMN CC(C)c1noc(CN2CCC[C@H]2CCc2ccccc2)n1 ZINC000052105829 1121674028 /nfs/dbraw/zinc/67/40/28/1121674028.db2.gz FXIXBXXBVXKHQP-INIZCTEOSA-N 0 1 299.418 3.790 20 0 CHADMN CCc1nnc(CN(C2CC2)C2CCC(CC)CC2)o1 ZINC000052103497 1121674293 /nfs/dbraw/zinc/67/42/93/1121674293.db2.gz SNPZBFIULIIJSV-UHFFFAOYSA-N 0 1 277.412 3.565 20 0 CHADMN CO[C@@H](CN[C@H](c1ccco1)c1ccccc1)C(C)C ZINC000273399732 1121675111 /nfs/dbraw/zinc/67/51/11/1121675111.db2.gz UJUIWILMNVMNDP-IRXDYDNUSA-N 0 1 273.376 3.630 20 0 CHADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cncc(C(F)(F)F)c1 ZINC000419353227 1121678923 /nfs/dbraw/zinc/67/89/23/1121678923.db2.gz LCZWQXKDPDBLOH-OUAUKWLOSA-N 0 1 272.314 3.577 20 0 CHADMN c1cc(Nc2cccc(C3CC3)c2)n(-c2ccncc2)n1 ZINC001176724383 1121680152 /nfs/dbraw/zinc/68/01/52/1121680152.db2.gz ZBOLHIGZFJASEQ-UHFFFAOYSA-N 0 1 276.343 3.888 20 0 CHADMN Cc1cc(CN2CCCC[C@@H]2c2ccccc2)on1 ZINC000273837707 1121681274 /nfs/dbraw/zinc/68/12/74/1121681274.db2.gz ILVGTOIAWRHRGX-MRXNPFEDSA-N 0 1 256.349 3.710 20 0 CHADMN CCc1cc(CCCOc2ccnc3c2CCCC3)on1 ZINC000664107554 1121682907 /nfs/dbraw/zinc/68/29/07/1121682907.db2.gz KSNWTILCYBECDJ-UHFFFAOYSA-N 0 1 286.375 3.522 20 0 CHADMN CCOc1cccc(Cl)c1CN(C)CC1CCC1 ZINC001176771220 1121694057 /nfs/dbraw/zinc/69/40/57/1121694057.db2.gz ILMPHQKAWUYKQL-UHFFFAOYSA-N 0 1 267.800 3.971 20 0 CHADMN C[C@@H]1[C@H](C)CN(Cc2nnc(-c3ccccc3)s2)[C@H]1C ZINC000419364042 1121699340 /nfs/dbraw/zinc/69/93/40/1121699340.db2.gz WNULRQVPQUYEBU-UPJWGTAASA-N 0 1 287.432 3.681 20 0 CHADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1nnc(-c2ccccc2)s1 ZINC000419364040 1121700143 /nfs/dbraw/zinc/70/01/43/1121700143.db2.gz WNULRQVPQUYEBU-FRRDWIJNSA-N 0 1 287.432 3.681 20 0 CHADMN Cc1[nH]ncc1CN(C)C(=O)Nc1ccccc1C(C)C ZINC000631472845 1129003326 /nfs/dbraw/zinc/00/33/26/1129003326.db2.gz RTNOMVRLAKUNPS-UHFFFAOYSA-N 0 1 286.379 3.505 20 0 CHADMN Brc1ccc2c(c1)CN([C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167925874 1121703442 /nfs/dbraw/zinc/70/34/42/1121703442.db2.gz AUGFJWRKMIDTCQ-YABSGUDNSA-N 0 1 278.193 3.563 20 0 CHADMN C[C@@H](NCc1ccsc1)c1ccc(Br)nc1 ZINC000289925133 1121704837 /nfs/dbraw/zinc/70/48/37/1121704837.db2.gz VIZBGSTWNMDSPD-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN Cc1cc(C)c2c(c1)CCN(CCC(F)(F)F)C2 ZINC001177033526 1121706746 /nfs/dbraw/zinc/70/67/46/1121706746.db2.gz HRFLSOZZJDDMQP-UHFFFAOYSA-N 0 1 257.299 3.614 20 0 CHADMN CN(Cc1ccoc1)Cc1ccc(F)c2cccnc12 ZINC000345091698 1121707601 /nfs/dbraw/zinc/70/76/01/1121707601.db2.gz PEPQWOGQZGKFLU-UHFFFAOYSA-N 0 1 270.307 3.599 20 0 CHADMN Cc1nn(-c2cccc(F)c2)cc1CNCc1ccccc1 ZINC001177086494 1121712257 /nfs/dbraw/zinc/71/22/57/1121712257.db2.gz ITNOYIFRKOHIPF-UHFFFAOYSA-N 0 1 295.361 3.610 20 0 CHADMN CCCC(C)=CC(=O)N[C@@H](CC)c1nc2ccccc2[nH]1 ZINC000727342234 1121716193 /nfs/dbraw/zinc/71/61/93/1121716193.db2.gz XYYWQKQTFNXOGT-HHQWOOOKSA-N 0 1 285.391 3.877 20 0 CHADMN COc1nc2ccccc2cc1CNCc1cccc(F)c1 ZINC001177153682 1121716612 /nfs/dbraw/zinc/71/66/12/1121716612.db2.gz VZQNHXYDKWQRIV-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN Fc1ccccc1CN1CC[C@H](OCc2ccccc2)C1 ZINC001203353381 1121717639 /nfs/dbraw/zinc/71/76/39/1121717639.db2.gz YQXHNTADYVLVHS-KRWDZBQOSA-N 0 1 285.362 3.617 20 0 CHADMN CC[C@@H](NCc1ocnc1C)c1cccc(Cl)c1 ZINC000894173041 1121718972 /nfs/dbraw/zinc/71/89/72/1121718972.db2.gz FQSQGHAZKSPAFQ-CYBMUJFWSA-N 0 1 264.756 3.877 20 0 CHADMN CCCOc1ccc([C@@H](C)NCc2ccoc2)cc1OC ZINC000727467000 1121720611 /nfs/dbraw/zinc/72/06/11/1121720611.db2.gz LBFPIAVQDOLWAQ-CYBMUJFWSA-N 0 1 289.375 3.928 20 0 CHADMN C[C@@H](c1nc([C@H]2Cc3ccccc32)no1)N1[C@H](C)CC[C@@H]1C ZINC000527198227 1121728949 /nfs/dbraw/zinc/72/89/49/1121728949.db2.gz YXRWLOQOMDUZLZ-ZWUHOBOKSA-N 0 1 297.402 3.691 20 0 CHADMN C[C@@H](c1nc(-c2ccccc2)no1)N1CCC(C)CC1 ZINC000052635676 1121734508 /nfs/dbraw/zinc/73/45/08/1121734508.db2.gz JGDYMNOZFOFYJC-ZDUSSCGKSA-N 0 1 271.364 3.530 20 0 CHADMN c1cc2cccc(CNc3ccc4c[nH]nc4c3)c2o1 ZINC001119284358 1121735664 /nfs/dbraw/zinc/73/56/64/1121735664.db2.gz DNUSCUMWMIDFGH-UHFFFAOYSA-N 0 1 263.300 3.921 20 0 CHADMN CCCCOCCNCc1nc(-c2cccs2)oc1C ZINC001177536736 1121736286 /nfs/dbraw/zinc/73/62/86/1121736286.db2.gz DNMBYCUWXCPHAL-UHFFFAOYSA-N 0 1 294.420 3.618 20 0 CHADMN Cc1ccc2ncc(CN(C)Cc3cccc(C)c3C)n2c1 ZINC000430108882 1121738605 /nfs/dbraw/zinc/73/86/05/1121738605.db2.gz VCNIEDPEIHMNJV-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN Cc1ccc2oc(N[C@H]3CN(C)Cc4ccccc43)nc2c1 ZINC000534530842 1121745921 /nfs/dbraw/zinc/74/59/21/1121745921.db2.gz RBBBGVXIMWHPEL-INIZCTEOSA-N 0 1 293.370 3.735 20 0 CHADMN CCC[C@H](NCc1ccc(F)c(OC)c1)c1ccccn1 ZINC001177688039 1121746481 /nfs/dbraw/zinc/74/64/81/1121746481.db2.gz OOQNTTVSILRKSB-HNNXBMFYSA-N 0 1 288.366 3.860 20 0 CHADMN CCc1ncc(CN[C@H]2CSCc3ccccc32)s1 ZINC001177779956 1121748685 /nfs/dbraw/zinc/74/86/85/1121748685.db2.gz SFFRWGAAYGEUPR-AWEZNQCLSA-N 0 1 290.457 3.783 20 0 CHADMN c1nc(-c2ccccc2)[nH]c1CNc1ccc2n[nH]cc2c1 ZINC001178013371 1121762261 /nfs/dbraw/zinc/76/22/61/1121762261.db2.gz YVWHMQHGEFLFCJ-UHFFFAOYSA-N 0 1 289.342 3.565 20 0 CHADMN Cc1nc(CN2C[C@H](C)C[C@H]2c2ccccc2)oc1C ZINC000285725247 1121763438 /nfs/dbraw/zinc/76/34/38/1121763438.db2.gz PPRLVXPBSWCOJK-WBMJQRKESA-N 0 1 270.376 3.875 20 0 CHADMN C[C@H](N[C@H](CC1CCC1)c1ccccc1)c1ncc[nH]1 ZINC000285996745 1121765484 /nfs/dbraw/zinc/76/54/84/1121765484.db2.gz HHDDWYBTOINDPB-XJKSGUPXSA-N 0 1 269.392 3.992 20 0 CHADMN Cc1cc([C@H](N[C@@H](C)c2ncc[nH]2)C2CC2)ccc1F ZINC000285994898 1121765994 /nfs/dbraw/zinc/76/59/94/1121765994.db2.gz HFGGPRWDBNOXRH-XHDPSFHLSA-N 0 1 273.355 3.659 20 0 CHADMN Fc1ccc(CN[C@@H]2CCCc3ncccc32)cc1F ZINC000631572229 1129007939 /nfs/dbraw/zinc/00/79/39/1129007939.db2.gz KVXGCSGRHDUSLN-MRXNPFEDSA-N 0 1 274.314 3.527 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@H](C)c1c(C)noc1C)CCC2 ZINC000168225149 1121769682 /nfs/dbraw/zinc/76/96/82/1121769682.db2.gz FXOZEWMAKNBAOL-PELKAZGASA-N 0 1 291.420 3.785 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@H](C)c1c[nH]c2ncccc12 ZINC000168200287 1121769713 /nfs/dbraw/zinc/76/97/13/1121769713.db2.gz GMLQBYPXCRSVPT-ZJUUUORDSA-N 0 1 284.363 3.580 20 0 CHADMN CCCCCCSc1nc(-c2cccnc2)n[nH]1 ZINC000728162181 1121775154 /nfs/dbraw/zinc/77/51/54/1121775154.db2.gz VASVXPRYFBTXCW-UHFFFAOYSA-N 0 1 262.382 3.539 20 0 CHADMN Cc1coc(CN[C@H](C)c2ccc3c(c2)CCC3)c1 ZINC001178386565 1121782141 /nfs/dbraw/zinc/78/21/41/1121782141.db2.gz DOUJAODSWUIXQY-CYBMUJFWSA-N 0 1 255.361 3.928 20 0 CHADMN Cc1cnn(-c2ccncc2NCc2csc(C)c2C)c1 ZINC001178377394 1121782171 /nfs/dbraw/zinc/78/21/71/1121782171.db2.gz JCXWCIRHGJOAGN-UHFFFAOYSA-N 0 1 298.415 3.866 20 0 CHADMN CC(C)=CCNCc1nc(-c2cccs2)oc1C ZINC001178488252 1121790749 /nfs/dbraw/zinc/79/07/49/1121790749.db2.gz RDNQHAVIJAUVIN-UHFFFAOYSA-N 0 1 262.378 3.767 20 0 CHADMN Cc1cc([C@@H](C)[N@H+](C)C[C@@H](C)C(C)(C)C)oc1C(=O)[O-] ZINC000634697356 1129009739 /nfs/dbraw/zinc/00/97/39/1129009739.db2.gz HKYGVOGMVAGXEC-VXGBXAGGSA-N 0 1 281.396 3.961 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@H]2CCCc3ncccc32)cn1 ZINC000631583684 1129009824 /nfs/dbraw/zinc/00/98/24/1129009824.db2.gz UMUGDHKTUZNLPL-DYVFJYSZSA-N 0 1 284.407 3.587 20 0 CHADMN CCn1ccc(CN[C@@H](c2ccc(F)cc2)C(C)C)n1 ZINC001178571355 1121799141 /nfs/dbraw/zinc/79/91/41/1121799141.db2.gz OWMIXJWEELXZBU-MRXNPFEDSA-N 0 1 275.371 3.529 20 0 CHADMN C[C@@H](C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1)C1CC1 ZINC000175289678 1121811359 /nfs/dbraw/zinc/81/13/59/1121811359.db2.gz AMGAEKJDPMOTLA-SNVBAGLBSA-N 0 1 283.375 3.815 20 0 CHADMN COc1ccc(C)cc1CN[C@H]1CCCc2ncccc21 ZINC000631590140 1129011131 /nfs/dbraw/zinc/01/11/31/1129011131.db2.gz HGCMCBHIXDRSSG-KRWDZBQOSA-N 0 1 282.387 3.566 20 0 CHADMN Cc1ncc(CNCc2cc3ccnc(Cl)c3s2)o1 ZINC001178931777 1121827523 /nfs/dbraw/zinc/82/75/23/1121827523.db2.gz RDUWIVCYOWWCBF-UHFFFAOYSA-N 0 1 293.779 3.536 20 0 CHADMN c1nc2cc(CN[C@@H]3COCc4ccccc43)ccc2s1 ZINC001178978374 1121831981 /nfs/dbraw/zinc/83/19/81/1121831981.db2.gz VYTAJJRKIMUUDD-MRXNPFEDSA-N 0 1 296.395 3.657 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCSC(C)C)CC3 ZINC000619780145 1129012596 /nfs/dbraw/zinc/01/25/96/1129012596.db2.gz HVXHGKIVEZBCFC-UHFFFAOYSA-N 0 1 288.460 3.976 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)CN(CCSC(C)C)CC3 ZINC000619780145 1129012599 /nfs/dbraw/zinc/01/25/99/1129012599.db2.gz HVXHGKIVEZBCFC-UHFFFAOYSA-N 0 1 288.460 3.976 20 0 CHADMN Cn1c(CN[C@H]2C[C@@]2(F)c2ccccc2)cc2ccccc21 ZINC001178998206 1121839918 /nfs/dbraw/zinc/83/99/18/1121839918.db2.gz GSTYKVPWGNKFQR-RBUKOAKNSA-N 0 1 294.373 3.905 20 0 CHADMN CCn1ccnc1NCc1ccc(Cl)cc1Cl ZINC000414298084 1121840407 /nfs/dbraw/zinc/84/04/07/1121840407.db2.gz JBHXTQNGIGGMHH-UHFFFAOYSA-N 0 1 270.163 3.822 20 0 CHADMN Fc1ccc(C2(N[C@@H]3CCCc4ncccc43)CC2)cc1 ZINC000631610134 1129013222 /nfs/dbraw/zinc/01/32/22/1129013222.db2.gz RMZAMASAMQGDFZ-QGZVFWFLSA-N 0 1 282.362 3.877 20 0 CHADMN Fc1cccc(C2(N[C@H]3CCCc4ncccc43)CC2)c1 ZINC000631608686 1129013351 /nfs/dbraw/zinc/01/33/51/1129013351.db2.gz RIVSKGCBQJFYJG-KRWDZBQOSA-N 0 1 282.362 3.877 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2CCC[C@H]2C)n[nH]1 ZINC001179152897 1121853296 /nfs/dbraw/zinc/85/32/96/1121853296.db2.gz ZFCKSWFDZWFTHB-INWMFGNUSA-N 0 1 289.423 3.598 20 0 CHADMN Cc1c([C@@H](C)NCc2ccc3c(c2)COC3)cnn1C(C)C ZINC000345286876 1121867272 /nfs/dbraw/zinc/86/72/72/1121867272.db2.gz DSPMGSKPURDABR-CYBMUJFWSA-N 0 1 299.418 3.653 20 0 CHADMN Cc1ccsc1CN[C@@H](C)c1nc2c(s1)CCC2 ZINC000345311532 1121870667 /nfs/dbraw/zinc/87/06/67/1121870667.db2.gz XUIOCLSUFMLBGQ-JTQLQIEISA-N 0 1 278.446 3.853 20 0 CHADMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)c(F)c1 ZINC000404909523 1121871847 /nfs/dbraw/zinc/87/18/47/1121871847.db2.gz AZPGVMAASWTFLW-UHFFFAOYSA-N 0 1 299.754 3.588 20 0 CHADMN CC(C)c1nnc(CNC[C@H](C)c2ccc(F)cc2)s1 ZINC000345327007 1121874587 /nfs/dbraw/zinc/87/45/87/1121874587.db2.gz WANFLIUDGFMFGK-NSHDSACASA-N 0 1 293.411 3.694 20 0 CHADMN Fc1ccc2c(CNCc3cccc4[nH]ccc43)noc2c1 ZINC001179430009 1121877240 /nfs/dbraw/zinc/87/72/40/1121877240.db2.gz PBDNOGZOXITBEG-UHFFFAOYSA-N 0 1 295.317 3.738 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1ccc(CC)cc1 ZINC000731863655 1121886759 /nfs/dbraw/zinc/88/67/59/1121886759.db2.gz AGPBVRDTQJYEAB-UHFFFAOYSA-N 0 1 276.424 3.700 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1cc(C)ccc1F ZINC000731893455 1121892192 /nfs/dbraw/zinc/89/21/92/1121892192.db2.gz LQFFKMGAZVWFTQ-UHFFFAOYSA-N 0 1 280.387 3.585 20 0 CHADMN CC=Cc1ccc(NC(=O)c2cc(-c3ccco3)n[nH]2)cc1 ZINC000345687888 1121907303 /nfs/dbraw/zinc/90/73/03/1121907303.db2.gz UTRCYBHNEWIJIA-DUXPYHPUSA-N 0 1 293.326 3.955 20 0 CHADMN Cc1cc(CN[C@]2(CO)CC[C@@H](C)c3ccccc32)c(C)o1 ZINC001179790036 1121911015 /nfs/dbraw/zinc/91/10/15/1121911015.db2.gz ZOMBBVRCBQACDX-YJYMSZOUSA-N 0 1 299.414 3.771 20 0 CHADMN FC(F)(F)c1cncc(NCc2ccc3nc[nH]c3c2)c1 ZINC001179805428 1121912448 /nfs/dbraw/zinc/91/24/48/1121912448.db2.gz IDLAYRVIFYFYDY-UHFFFAOYSA-N 0 1 292.264 3.589 20 0 CHADMN C[C@@H](NCC(C)(C)F)c1ccccc1OC(F)F ZINC000631657370 1129018136 /nfs/dbraw/zinc/01/81/36/1129018136.db2.gz CPPJLFYFYIHHSD-SECBINFHSA-N 0 1 261.287 3.687 20 0 CHADMN C[C@@H]1Cc2cc(CN3CC[C@H]3c3ccccc3)ccc2O1 ZINC001179844911 1121917018 /nfs/dbraw/zinc/91/70/18/1121917018.db2.gz GUAYQLXPGCWXAK-KDOFPFPSSA-N 0 1 279.383 3.957 20 0 CHADMN CS[C@H]1CC[C@@H](NCc2csc(C(F)(F)F)n2)C1 ZINC001119949180 1121918197 /nfs/dbraw/zinc/91/81/97/1121918197.db2.gz UJTYAJBSDHLXCX-APPZFPTMSA-N 0 1 296.383 3.536 20 0 CHADMN CC=CC=CC(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732543679 1121924537 /nfs/dbraw/zinc/92/45/37/1121924537.db2.gz JLUCVDBRJQVVBJ-JOWDJYSLSA-N 0 1 289.766 3.526 20 0 CHADMN CCC/C=C\C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732559853 1121927609 /nfs/dbraw/zinc/92/76/09/1121927609.db2.gz SBNDNCYPHAARJZ-WWQCOOJYSA-N 0 1 291.782 3.750 20 0 CHADMN COCCN(Cc1ccco1)Cc1ccc(C2CC2)cc1 ZINC001179942953 1121928246 /nfs/dbraw/zinc/92/82/46/1121928246.db2.gz XARHINPOPIQEFH-UHFFFAOYSA-N 0 1 285.387 3.806 20 0 CHADMN c1nn(CC2CCC2)cc1CN(Cc1ccccc1)C1CC1 ZINC001179905926 1121929973 /nfs/dbraw/zinc/92/99/73/1121929973.db2.gz PXTPCMAEIMHLHF-UHFFFAOYSA-N 0 1 295.430 3.848 20 0 CHADMN C[C@@H]1[C@H](C)CN(Cc2nc3ccccc3n2C(F)F)[C@H]1C ZINC000419397258 1121933024 /nfs/dbraw/zinc/93/30/24/1121933024.db2.gz UNGOQKKRFBFGPK-UTUOFQBUSA-N 0 1 293.361 3.908 20 0 CHADMN CC(C)COCCN(C)Cc1ccc(Cl)c(F)c1 ZINC000501028371 1121939587 /nfs/dbraw/zinc/93/95/87/1121939587.db2.gz JCMUNGCYVLCYRA-UHFFFAOYSA-N 0 1 273.779 3.584 20 0 CHADMN CCOc1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)o1 ZINC001180053343 1121944319 /nfs/dbraw/zinc/94/43/19/1121944319.db2.gz YEFALBFAMKWHCJ-UONOGXRCSA-N 0 1 281.421 3.538 20 0 CHADMN CCCCOCCN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000733029253 1121951863 /nfs/dbraw/zinc/95/18/63/1121951863.db2.gz AKYUDJAWIMMONN-MRXNPFEDSA-N 0 1 283.362 3.918 20 0 CHADMN C[C@H](NC(=O)c1ccc(O)c(Cl)c1)C1CCC(F)CC1 ZINC000619961350 1129021301 /nfs/dbraw/zinc/02/13/01/1129021301.db2.gz BQSLANVOMLJUIU-BMQDGWLCSA-N 0 1 299.773 3.692 20 0 CHADMN CC1=CCN(Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC001180199246 1121965123 /nfs/dbraw/zinc/96/51/23/1121965123.db2.gz QMSRUXXPPGCEOV-UHFFFAOYSA-N 0 1 274.314 3.665 20 0 CHADMN c1coc(CNc2ccc3c(c2)nc2n3CCCCC2)c1 ZINC000419737450 1121966716 /nfs/dbraw/zinc/96/67/16/1121966716.db2.gz HSSAEUHURWCPPW-UHFFFAOYSA-N 0 1 281.359 3.968 20 0 CHADMN CN(Cc1nccn1Cc1ccccc1)CC1(C)CCCC1 ZINC001180266901 1121969850 /nfs/dbraw/zinc/96/98/50/1121969850.db2.gz HPGSFFNXYMJNJF-UHFFFAOYSA-N 0 1 297.446 3.944 20 0 CHADMN CCCN(CCc1cccc(F)c1)Cn1cc(Cl)cn1 ZINC000733300139 1121971437 /nfs/dbraw/zinc/97/14/37/1121971437.db2.gz NUFXLJCEFXXPRE-UHFFFAOYSA-N 0 1 295.789 3.588 20 0 CHADMN Cc1ccc(C[C@@H]2CCCN2Cn2cc(Cl)cn2)cc1 ZINC000733301133 1121971767 /nfs/dbraw/zinc/97/17/67/1121971767.db2.gz YUWQYQSPTMBORT-INIZCTEOSA-N 0 1 289.810 3.510 20 0 CHADMN C[C@@H](c1ccc(OC(F)F)cc1)N1CC[C@](C)(F)C1 ZINC000501391083 1121974702 /nfs/dbraw/zinc/97/47/02/1121974702.db2.gz HCZMWJOTTBMHHU-HZMBPMFUSA-N 0 1 273.298 3.783 20 0 CHADMN CC(C)[C@@H]1CCCCN1Cc1cnc(Cl)s1 ZINC000079323718 1129021879 /nfs/dbraw/zinc/02/18/79/1129021879.db2.gz VXDXNXREWOBAOX-NSHDSACASA-N 0 1 258.818 3.807 20 0 CHADMN C[C@]1(F)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000501423525 1121977920 /nfs/dbraw/zinc/97/79/20/1121977920.db2.gz FYBCDRKWPZMZCC-LBPRGKRZSA-N 0 1 261.262 3.639 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)cn1 ZINC000894246954 1121978415 /nfs/dbraw/zinc/97/84/15/1121978415.db2.gz UZLGGLQPFNGAEI-KRWDZBQOSA-N 0 1 295.430 3.665 20 0 CHADMN CC(C)OC[C@@H](C)N[C@H](C)c1c(F)cccc1Cl ZINC000501446055 1121979923 /nfs/dbraw/zinc/97/99/23/1121979923.db2.gz AJFJPBNBPCSOIV-GHMZBOCLSA-N 0 1 273.779 3.943 20 0 CHADMN CCc1ncc(CN(CC)Cc2c[nH]c3ccccc23)cn1 ZINC000414441364 1121986424 /nfs/dbraw/zinc/98/64/24/1121986424.db2.gz WJHRADFPLIDONE-UHFFFAOYSA-N 0 1 294.402 3.542 20 0 CHADMN Cc1cc(CN2CCN(c3cccc(C)c3)CC2)cs1 ZINC001180461835 1121992459 /nfs/dbraw/zinc/99/24/59/1121992459.db2.gz AALZFLDAVFXGRS-UHFFFAOYSA-N 0 1 286.444 3.687 20 0 CHADMN CC[C@@H]1C[C@@]1(NCc1ccc(C)nn1)c1cccc(C)c1 ZINC000414448274 1121993441 /nfs/dbraw/zinc/99/34/41/1121993441.db2.gz MUMFIHAMUQSJBM-QAPCUYQASA-N 0 1 281.403 3.508 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1Cc1cc2c(cccc2O)s1 ZINC001180530976 1121994453 /nfs/dbraw/zinc/99/44/53/1121994453.db2.gz AOTKYNVEMSNFSQ-NWDGAFQWSA-N 0 1 291.416 3.606 20 0 CHADMN CCc1ccc(CN(C)Cc2cnc(F)cc2C)cc1 ZINC001180497918 1121996109 /nfs/dbraw/zinc/99/61/09/1121996109.db2.gz ZPOBRNUOMYOLQO-UHFFFAOYSA-N 0 1 272.367 3.724 20 0 CHADMN CCCn1cc(CN2C[C@H](C)C[C@@H]2c2cccnc2)c(C)n1 ZINC001180666125 1122006117 /nfs/dbraw/zinc/00/61/17/1122006117.db2.gz QXKIHYXQHYJXKT-RDTXWAMCSA-N 0 1 298.434 3.580 20 0 CHADMN C[C@H]1C[N@H+](Cc2ncc(-c3ccccc3F)o2)CC[C@@H]1C ZINC000501777329 1122008928 /nfs/dbraw/zinc/00/89/28/1122008928.db2.gz QAGDTKBQTSHYQI-STQMWFEESA-N 0 1 288.366 3.959 20 0 CHADMN C[C@H]1CN(Cc2ncc(-c3ccccc3F)o2)CC[C@@H]1C ZINC000501777329 1122008934 /nfs/dbraw/zinc/00/89/34/1122008934.db2.gz QAGDTKBQTSHYQI-STQMWFEESA-N 0 1 288.366 3.959 20 0 CHADMN CCC(CC)n1ccc(CN2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000501797116 1122010832 /nfs/dbraw/zinc/01/08/32/1122010832.db2.gz WEIMCSDFPPZZRJ-KGLIPLIRSA-N 0 1 263.429 3.722 20 0 CHADMN Cc1sc(NC(=O)CN2CC[C@H](C)[C@H](C)C2)c(C)c1C ZINC000501797310 1122010932 /nfs/dbraw/zinc/01/09/32/1122010932.db2.gz UHQWYIXCNHDGJR-WDEREUQCSA-N 0 1 294.464 3.590 20 0 CHADMN Cc1occc1CNCc1ccc(C(C)(F)F)cc1 ZINC000414458515 1122018946 /nfs/dbraw/zinc/01/89/46/1122018946.db2.gz XWLVVIJDWUXRHQ-UHFFFAOYSA-N 0 1 265.303 3.990 20 0 CHADMN CCC[C@@H](C)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000501902318 1122022573 /nfs/dbraw/zinc/02/25/73/1122022573.db2.gz XCSHDGXPEOZHLA-SKDRFNHKSA-N 0 1 276.207 3.805 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000305674584 1129025703 /nfs/dbraw/zinc/02/57/03/1129025703.db2.gz YXYLEVWGYDKRKK-MDZLAQPJSA-N 0 1 285.790 3.633 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@H]([C@H](C)O)C1 ZINC000305674584 1129025705 /nfs/dbraw/zinc/02/57/05/1129025705.db2.gz YXYLEVWGYDKRKK-MDZLAQPJSA-N 0 1 285.790 3.633 20 0 CHADMN C[C@H](N[C@@H](CN1CCCCC1)c1ccccc1)c1ncco1 ZINC000924926557 1122033956 /nfs/dbraw/zinc/03/39/56/1122033956.db2.gz YSVJXZJOLJZAAQ-RDJZCZTQSA-N 0 1 299.418 3.552 20 0 CHADMN Cc1cc(CN2CCO[C@H](C3CCC3)C2)cc2cccnc12 ZINC000414476415 1122041858 /nfs/dbraw/zinc/04/18/58/1122041858.db2.gz XNNRUGGSARFRMW-SFHVURJKSA-N 0 1 296.414 3.544 20 0 CHADMN CCOc1cccc(F)c1CN1CCC(C)=C(C)C1 ZINC001181284889 1122045796 /nfs/dbraw/zinc/04/57/96/1122045796.db2.gz HTMWKTZLLQDPDC-UHFFFAOYSA-N 0 1 263.356 3.767 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](CC(F)(F)F)C2)nc1 ZINC000420952304 1122049446 /nfs/dbraw/zinc/04/94/46/1122049446.db2.gz SAQGMHKLAOTFRE-LBPRGKRZSA-N 0 1 272.314 3.554 20 0 CHADMN Cc1cncc(CN[C@H](CC(F)F)c2ccccc2)c1 ZINC000421001455 1122059703 /nfs/dbraw/zinc/05/97/03/1122059703.db2.gz WXEVNVDKIVWOQQ-OAHLLOKOSA-N 0 1 276.330 3.876 20 0 CHADMN CCn1ccc(CNC/C(C)=C/c2ccc(Cl)cc2)n1 ZINC000414489749 1122061616 /nfs/dbraw/zinc/06/16/16/1122061616.db2.gz YZTFGJSEVPKVQE-JLHYYAGUSA-N 0 1 289.810 3.750 20 0 CHADMN C[C@@H]1CO[C@H](C(F)(F)F)CN1C[C@H]1CCCC(C)(C)C1 ZINC001181675552 1122071579 /nfs/dbraw/zinc/07/15/79/1122071579.db2.gz SNJBGKWFSMKNRR-AGIUHOORSA-N 0 1 293.373 3.854 20 0 CHADMN CO[C@@](C)([C@H](C)NCc1ncc(C(C)(C)C)s1)C1CC1 ZINC000414502874 1122076158 /nfs/dbraw/zinc/07/61/58/1122076158.db2.gz PTTALFKQSAOVHF-ZBEGNZNMSA-N 0 1 296.480 3.734 20 0 CHADMN Cc1ccc(Cl)c(NC(=O)c2[nH]cnc2C(C)(C)C)c1 ZINC000631819838 1129031359 /nfs/dbraw/zinc/03/13/59/1129031359.db2.gz CVNPTVFWGORCFM-UHFFFAOYSA-N 0 1 291.782 3.921 20 0 CHADMN CC/C=C\CNCc1ccc(C(F)(F)F)nc1Cl ZINC001181973453 1122103480 /nfs/dbraw/zinc/10/34/80/1122103480.db2.gz YRZJYGRFNVBUSC-ARJAWSKDSA-N 0 1 278.705 3.810 20 0 CHADMN Cc1scc(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1C ZINC001182034633 1122105279 /nfs/dbraw/zinc/10/52/79/1122105279.db2.gz URUXYRQYJPOOBP-HOTGVXAUSA-N 0 1 277.433 3.508 20 0 CHADMN C[C@@H](Cc1ccsc1)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000689974674 1122105741 /nfs/dbraw/zinc/10/57/41/1122105741.db2.gz JPOVSDJCWJTBMF-GXTWGEPZSA-N 0 1 295.448 3.502 20 0 CHADMN CO[C@@H]1CN([C@@H](C)c2ccc(F)c(Cl)c2)CC[C@@H]1C ZINC000467300135 1122106442 /nfs/dbraw/zinc/10/64/42/1122106442.db2.gz BGKNAXPTPNFYBF-ZIBATOQPSA-N 0 1 285.790 3.897 20 0 CHADMN Cc1ccc(-c2ccc(CN3CC[C@@]34CCOC4)o2)cc1 ZINC000421402010 1122107199 /nfs/dbraw/zinc/10/71/99/1122107199.db2.gz VFCFGZRCIYZXLI-SFHVURJKSA-N 0 1 283.371 3.620 20 0 CHADMN CC[C@@H]1C[C@]1(NCc1ccc(F)cn1)c1cccc(C)c1 ZINC000502560884 1122109631 /nfs/dbraw/zinc/10/96/31/1122109631.db2.gz ALTMVCWWURWYMD-RDTXWAMCSA-N 0 1 284.378 3.944 20 0 CHADMN CC(C)c1nc(CN[C@H]2CC(C)(C)OC2(C)C)cs1 ZINC000153289143 1129031782 /nfs/dbraw/zinc/03/17/82/1129031782.db2.gz DCBAQVIXZBIUNO-LBPRGKRZSA-N 0 1 282.453 3.702 20 0 CHADMN CC[C@H]1C[C@]1(NCc1ccc(OC)cn1)c1cccc(C)c1 ZINC000502562101 1122111134 /nfs/dbraw/zinc/11/11/34/1122111134.db2.gz FUVZQXWYEKFNKI-HNAYVOBHSA-N 0 1 296.414 3.814 20 0 CHADMN C[C@@H]1[C@H](C(=O)[O-])CCC[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000263040904 1129032705 /nfs/dbraw/zinc/03/27/05/1129032705.db2.gz IUJKCZBIWDJXCB-DGCLKSJQSA-N 0 1 295.448 3.731 20 0 CHADMN C[C@H](NCc1cccc(OC2CCCC2)c1)c1ccnn1C ZINC000774237153 1122144671 /nfs/dbraw/zinc/14/46/71/1122144671.db2.gz QYYFHFHALRSZPM-AWEZNQCLSA-N 0 1 299.418 3.592 20 0 CHADMN Cc1cccc(CN(C)C/C=C\c2cccc(F)c2)n1 ZINC001182387530 1122150219 /nfs/dbraw/zinc/15/02/19/1122150219.db2.gz GWLGFMRGOZOVKW-YVMONPNESA-N 0 1 270.351 3.674 20 0 CHADMN COC(C)(C)CCN1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000502876460 1122152588 /nfs/dbraw/zinc/15/25/88/1122152588.db2.gz QDHDENUCHKDVGM-QGZVFWFLSA-N 0 1 297.389 3.820 20 0 CHADMN Cc1cc(F)cc2c1CN(Cc1cccs1)CC2 ZINC000502908147 1122155503 /nfs/dbraw/zinc/15/55/03/1122155503.db2.gz ZKLXGFGJZACSNQ-UHFFFAOYSA-N 0 1 261.365 3.754 20 0 CHADMN Cc1ccccc1[C@@]1(F)CC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000502902388 1122157254 /nfs/dbraw/zinc/15/72/54/1122157254.db2.gz ICZCRVUKBMNQDY-CRAIPNDOSA-N 0 1 291.410 3.823 20 0 CHADMN Cc1ccccc1[C@@]1(F)CCN(C[C@H]2CCC(C)(C)O2)C1 ZINC000502902388 1122157258 /nfs/dbraw/zinc/15/72/58/1122157258.db2.gz ICZCRVUKBMNQDY-CRAIPNDOSA-N 0 1 291.410 3.823 20 0 CHADMN CCNc1ccccc1CN1C[C@@H](CC)O[C@@H](CC)C1 ZINC001182464233 1122167124 /nfs/dbraw/zinc/16/71/24/1122167124.db2.gz YWGJFCWHUGAXFR-IYBDPMFKSA-N 0 1 276.424 3.508 20 0 CHADMN Fc1cccc(C2(NCc3cccc4nsnc43)CC2)c1 ZINC000271826731 1122178098 /nfs/dbraw/zinc/17/80/98/1122178098.db2.gz SYCWDSKEKRXBKP-UHFFFAOYSA-N 0 1 299.374 3.609 20 0 CHADMN CO[C@H](c1ccccc1F)[C@@H](C)N[C@@H](C)c1ccco1 ZINC000271855849 1122178997 /nfs/dbraw/zinc/17/89/97/1122178997.db2.gz JJHSBQPKBJJGNQ-OZVIIMIRSA-N 0 1 277.339 3.846 20 0 CHADMN CCOc1cccc2cc([C@@H](C)N[C@@H](C)c3cn[nH]c3)oc21 ZINC000271868247 1122179993 /nfs/dbraw/zinc/17/99/93/1122179993.db2.gz MASNJLULQBJDJS-NWDGAFQWSA-N 0 1 299.374 3.966 20 0 CHADMN CCOc1cccc2cc([C@H](C)N[C@H](C)c3cn[nH]c3)oc21 ZINC000271868245 1122180284 /nfs/dbraw/zinc/18/02/84/1122180284.db2.gz MASNJLULQBJDJS-NEPJUHHUSA-N 0 1 299.374 3.966 20 0 CHADMN C[C@@H]1C[C@@H]1[C@@H](NCc1ccno1)c1ccc(Cl)cc1 ZINC000272014326 1122186892 /nfs/dbraw/zinc/18/68/92/1122186892.db2.gz KJNCMLZALHMXAH-ONERCXAPSA-N 0 1 276.767 3.815 20 0 CHADMN Cc1ncc([C@@H](C)NC2(c3cccc(F)c3)CC2)c(C)n1 ZINC000272134787 1122191450 /nfs/dbraw/zinc/19/14/50/1122191450.db2.gz LZMYMGDSVCABRE-GFCCVEGCSA-N 0 1 285.366 3.572 20 0 CHADMN Cc1nc2ccc(Cc3cc(F)cc(F)c3)cc2[nH]1 ZINC001250096570 1122199900 /nfs/dbraw/zinc/19/99/00/1122199900.db2.gz VPRNGAAWYMQVLU-UHFFFAOYSA-N 0 1 258.271 3.740 20 0 CHADMN CC1(c2ccccc2)CN(Cc2nccc3c2CCCC3)C1 ZINC001183013202 1122200371 /nfs/dbraw/zinc/20/03/71/1122200371.db2.gz ZWPFUHSOHMFSHQ-UHFFFAOYSA-N 0 1 292.426 3.734 20 0 CHADMN C[C@@H]1C[C@H](CN[C@H](CCc2ccccc2)C(F)F)CCO1 ZINC000272584369 1122205779 /nfs/dbraw/zinc/20/57/79/1122205779.db2.gz VPYPXNJNDGPDKX-FVQBIDKESA-N 0 1 297.389 3.658 20 0 CHADMN COCC[C@H](NCc1cnc2ccccc2c1)c1ccco1 ZINC000272582301 1122206282 /nfs/dbraw/zinc/20/62/82/1122206282.db2.gz PUICQSISCVSNAR-KRWDZBQOSA-N 0 1 296.370 3.695 20 0 CHADMN COCC[C@H](N[C@H]1CCc2ccccc21)c1ccc(C)o1 ZINC000272688945 1122210504 /nfs/dbraw/zinc/21/05/04/1122210504.db2.gz WSYYBVJOKVTAIU-IRXDYDNUSA-N 0 1 285.387 3.943 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCC(CCCO)CC1 ZINC000272930191 1122215520 /nfs/dbraw/zinc/21/55/20/1122215520.db2.gz JXDWAFAZHHLXTF-LBPRGKRZSA-N 0 1 283.362 3.510 20 0 CHADMN CC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000774614644 1122216526 /nfs/dbraw/zinc/21/65/26/1122216526.db2.gz VEHSDGBAPBMHHS-NHYWBVRUSA-N 0 1 285.790 3.635 20 0 CHADMN COc1cc(C)c([C@@H](C)N[C@H]2CCCc3c[nH]nc32)cc1C ZINC000273138603 1122221547 /nfs/dbraw/zinc/22/15/47/1122221547.db2.gz CSNMEVCEBUYVCV-CJNGLKHVSA-N 0 1 299.418 3.763 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1CN1CCO[C@](C)(C(F)(F)F)C1 ZINC001183419054 1122222487 /nfs/dbraw/zinc/22/24/87/1122222487.db2.gz HEMRDNJGIPIJOR-MJBXVCDLSA-N 0 1 291.357 3.632 20 0 CHADMN C/C(=C/c1ccccc1)C[N@H+](CCC(=O)[O-])CC(C)C ZINC000901595465 1129039918 /nfs/dbraw/zinc/03/99/18/1129039918.db2.gz MXQHAFBYKYYSKB-PTNGSMBKSA-N 0 1 275.392 3.523 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1coc2ccccc12 ZINC000924949457 1122229178 /nfs/dbraw/zinc/22/91/78/1122229178.db2.gz LFCGEKCXNBCDLI-VXGBXAGGSA-N 0 1 283.375 3.887 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cnc(C)nc2C)ccc1Cl ZINC000273428869 1122233141 /nfs/dbraw/zinc/23/31/41/1122233141.db2.gz KRPXHHATNSUVGI-NSHDSACASA-N 0 1 289.810 3.906 20 0 CHADMN CCOc1ccc(CN(C)Cc2c(C)cccc2C)o1 ZINC001184036214 1122253053 /nfs/dbraw/zinc/25/30/53/1122253053.db2.gz URUDXPPYWORQDY-UHFFFAOYSA-N 0 1 273.376 3.927 20 0 CHADMN CC[C@H](F)CN[C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503403997 1122259885 /nfs/dbraw/zinc/25/98/85/1122259885.db2.gz GLEMYQVTVNSGNQ-SWHYSGLUSA-N 0 1 255.764 3.913 20 0 CHADMN CCN(Cc1n[nH]c(C(C)C)n1)c1ccc(Cl)cc1 ZINC000794413569 1122260336 /nfs/dbraw/zinc/26/03/36/1122260336.db2.gz NNVMVXOBLPZIKV-UHFFFAOYSA-N 0 1 278.787 3.608 20 0 CHADMN CC[C@H]1CN(CCCOc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000600696129 1122263176 /nfs/dbraw/zinc/26/31/76/1122263176.db2.gz OMRVBPBUAJDMIE-ZFWWWQNUSA-N 0 1 297.826 3.608 20 0 CHADMN C=Cn1cc(CN2CC=C(c3cccc(C)c3C)CC2)cn1 ZINC001184252041 1122264841 /nfs/dbraw/zinc/26/48/41/1122264841.db2.gz PAPFCPKUXNZXFK-UHFFFAOYSA-N 0 1 293.414 3.890 20 0 CHADMN CC[C@H]1CN([C@H](C)c2ccc(C(F)(F)F)cc2)CCO1 ZINC000503576895 1122268064 /nfs/dbraw/zinc/26/80/64/1122268064.db2.gz IICPQQBAIBLVRX-RISCZKNCSA-N 0 1 287.325 3.877 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H]3CCC[C@@H](C)C3)cc(F)c12 ZINC001184507042 1122281235 /nfs/dbraw/zinc/28/12/35/1122281235.db2.gz CTEGIGLNFGQUPH-KOLCDFICSA-N 0 1 289.354 3.775 20 0 CHADMN C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000503992105 1122283269 /nfs/dbraw/zinc/28/32/69/1122283269.db2.gz IBEANHSSXRBICX-TUAOUCFPSA-N 0 1 287.325 3.876 20 0 CHADMN C[C@@H](c1ccc(C(F)(F)F)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000503992105 1122283272 /nfs/dbraw/zinc/28/32/72/1122283272.db2.gz IBEANHSSXRBICX-TUAOUCFPSA-N 0 1 287.325 3.876 20 0 CHADMN COc1ccccc1CN(C)c1ccncc1C(F)(F)F ZINC001184556697 1122283849 /nfs/dbraw/zinc/28/38/49/1122283849.db2.gz UVSOVFVFGKEEJQ-UHFFFAOYSA-N 0 1 296.292 3.745 20 0 CHADMN COC[C@@H](C)Nc1ccc(N2CCCCCC2)cc1C ZINC000504393961 1122294696 /nfs/dbraw/zinc/29/46/96/1122294696.db2.gz KUTDSVRLAJIHSS-OAHLLOKOSA-N 0 1 276.424 3.822 20 0 CHADMN Cc1cc(OCc2nc(Cl)ccc2Cl)cc(C)n1 ZINC000774779581 1122295394 /nfs/dbraw/zinc/29/53/94/1122295394.db2.gz UTNPEAHKXXCDCO-UHFFFAOYSA-N 0 1 283.158 3.979 20 0 CHADMN Cn1ccnc1[C@H](C1CC1)N1CCC[C@@H]1c1ccsc1 ZINC000637909242 1129235477 /nfs/dbraw/zinc/23/54/77/1129235477.db2.gz HQJVTNUTEVRIHF-CABCVRRESA-N 0 1 287.432 3.770 20 0 CHADMN FC1(F)CC12CCN(Cc1cccc(Cl)c1)CC2 ZINC000649773267 1129047382 /nfs/dbraw/zinc/04/73/82/1129047382.db2.gz MDUILYNMJWYYKR-UHFFFAOYSA-N 0 1 271.738 3.961 20 0 CHADMN CC(C)n1ncnc1CN1CCCC2(CCCCC2)CC1 ZINC000434507207 1122373892 /nfs/dbraw/zinc/37/38/92/1122373892.db2.gz YOPZYCTVXUKMAU-UHFFFAOYSA-N 0 1 290.455 3.795 20 0 CHADMN C[C@@H](NC(=O)Nc1cc(O)c(F)c(F)c1)C1CCCCC1 ZINC001186343108 1122387154 /nfs/dbraw/zinc/38/71/54/1122387154.db2.gz NWUJMMDYCVSNRN-SECBINFHSA-N 0 1 298.333 3.761 20 0 CHADMN C[C@H](NC(=O)Nc1cc(O)c(F)c(F)c1)C1CCCCC1 ZINC001186394944 1122389628 /nfs/dbraw/zinc/38/96/28/1122389628.db2.gz NWUJMMDYCVSNRN-VIFPVBQESA-N 0 1 298.333 3.761 20 0 CHADMN Cc1ccnc(NCCOCc2ccc(Cl)cc2)c1 ZINC000514220725 1122391636 /nfs/dbraw/zinc/39/16/36/1122391636.db2.gz AZVFYLRIIYIGCP-UHFFFAOYSA-N 0 1 276.767 3.672 20 0 CHADMN C[C@@H](F)CCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000505461756 1122391948 /nfs/dbraw/zinc/39/19/48/1122391948.db2.gz MJUCVEQCXBVBLQ-MRVPVSSYSA-N 0 1 285.775 3.965 20 0 CHADMN CC(C)(C)CN(Cc1ncnn1C(C)(C)C)CC(C)(C)C ZINC000514244639 1122393228 /nfs/dbraw/zinc/39/32/28/1122393228.db2.gz LKQAXOWVGCNPQW-UHFFFAOYSA-N 0 1 294.487 3.927 20 0 CHADMN Fc1ccc([C@@H]2CCCN2CCOCC(F)(F)F)cc1 ZINC000505479994 1122395866 /nfs/dbraw/zinc/39/58/66/1122395866.db2.gz JVVISAXTQLWRTG-ZDUSSCGKSA-N 0 1 291.288 3.542 20 0 CHADMN CN(Cc1ccccc1)Cc1ccc(C(F)(F)F)nc1 ZINC001205359198 1122401018 /nfs/dbraw/zinc/40/10/18/1122401018.db2.gz QDZDGGAXUKJSCZ-UHFFFAOYSA-N 0 1 280.293 3.732 20 0 CHADMN FC(F)(F)c1cnccc1N1CCC(C2CC2)CC1 ZINC001186639768 1122401861 /nfs/dbraw/zinc/40/18/61/1122401861.db2.gz PEYJNZNQGVQJLY-UHFFFAOYSA-N 0 1 270.298 3.727 20 0 CHADMN CCc1occc1C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000366606904 1122409806 /nfs/dbraw/zinc/40/98/06/1122409806.db2.gz HZZXMJWFQJNKQE-UHFFFAOYSA-N 0 1 296.370 3.572 20 0 CHADMN Cc1cnc(C[N@H+]2CC[C@@](C)(CCc3ccccc3)C2)o1 ZINC000434909633 1122420521 /nfs/dbraw/zinc/42/05/21/1122420521.db2.gz OQBWZKBYLQUGLA-GOSISDBHSA-N 0 1 284.403 3.828 20 0 CHADMN Cc1cnc(CN2CC[C@@](C)(CCc3ccccc3)C2)o1 ZINC000434909633 1122420525 /nfs/dbraw/zinc/42/05/25/1122420525.db2.gz OQBWZKBYLQUGLA-GOSISDBHSA-N 0 1 284.403 3.828 20 0 CHADMN Cc1cc(C(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c(C)[nH]1 ZINC000434904541 1122420639 /nfs/dbraw/zinc/42/06/39/1122420639.db2.gz ONEJFNPYPQURNZ-RDJZCZTQSA-N 0 1 296.414 3.692 20 0 CHADMN Cc1cc(F)ccc1CN(C)Cc1cccc(F)c1 ZINC000505581511 1122425133 /nfs/dbraw/zinc/42/51/33/1122425133.db2.gz JCQUYIULQTUKRC-UHFFFAOYSA-N 0 1 261.315 3.905 20 0 CHADMN COc1cccc(CN2CC[C@@H]2c2ccccc2)c1OC ZINC000434978160 1122425303 /nfs/dbraw/zinc/42/53/03/1122425303.db2.gz MFPIPRTYMFYQEC-MRXNPFEDSA-N 0 1 283.371 3.651 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN2CC[C@@H]2c2ccccc2)o1 ZINC000434990109 1122426465 /nfs/dbraw/zinc/42/64/65/1122426465.db2.gz FNUXOFVTWMGQCV-MRXNPFEDSA-N 0 1 293.370 3.925 20 0 CHADMN CCCN(CC)Cc1nc2ccccc2n1CCC ZINC000434992362 1122427723 /nfs/dbraw/zinc/42/77/23/1122427723.db2.gz UQQQSSNAYPZZOA-UHFFFAOYSA-N 0 1 259.397 3.678 20 0 CHADMN CCCN(Cc1cc(O)ccc1Br)CC1CC1 ZINC000435231182 1122445970 /nfs/dbraw/zinc/44/59/70/1122445970.db2.gz SZNKHOTUWPYNQK-UHFFFAOYSA-N 0 1 298.224 3.777 20 0 CHADMN CCOc1cccc(CN(C)Cc2cccs2)c1 ZINC000505603392 1122433309 /nfs/dbraw/zinc/43/33/09/1122433309.db2.gz CVHOZQQUSPAUMQ-UHFFFAOYSA-N 0 1 261.390 3.779 20 0 CHADMN Cc1ccc(CN([C@H](C)C2CC2)C2CC2)c(Cl)n1 ZINC000838791929 1122438451 /nfs/dbraw/zinc/43/84/51/1122438451.db2.gz YGGHBOCWMXDVGD-LLVKDONJSA-N 0 1 264.800 3.806 20 0 CHADMN COCC(C)(C)N(C)Cc1ccc(F)c(Cl)c1Cl ZINC000430136292 1122440555 /nfs/dbraw/zinc/44/05/55/1122440555.db2.gz VOMCMFUHRWJZCL-UHFFFAOYSA-N 0 1 294.197 3.989 20 0 CHADMN Cc1ccoc1CN(C)C/C=C\c1ccc(F)cc1 ZINC000430136917 1122440709 /nfs/dbraw/zinc/44/07/09/1122440709.db2.gz XICUIHARPGJMGA-ARJAWSKDSA-N 0 1 259.324 3.872 20 0 CHADMN CN(C)c1cccc(CN(Cc2ccco2)C2CC2)c1 ZINC000075593493 1122441485 /nfs/dbraw/zinc/44/14/85/1122441485.db2.gz PIJHQGNZQRPNBI-UHFFFAOYSA-N 0 1 270.376 3.510 20 0 CHADMN CC[C@@]1(C)CC[N@H+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000514728299 1122443905 /nfs/dbraw/zinc/44/39/05/1122443905.db2.gz AIPMAAQQAKLGLV-ZFWWWQNUSA-N 0 1 299.773 3.727 20 0 CHADMN Cc1ccc(NC(=O)Nc2cc(O)c(F)c(F)c2)cc1F ZINC001187989853 1122450022 /nfs/dbraw/zinc/45/00/22/1122450022.db2.gz SEZODHPSGUHJGW-UHFFFAOYSA-N 0 1 296.248 3.762 20 0 CHADMN CCCCC[C@H](NC(=O)CCc1cnc[nH]1)c1ccccc1 ZINC000193134765 1129055739 /nfs/dbraw/zinc/05/57/39/1129055739.db2.gz XPEGEYWRSFYTIX-KRWDZBQOSA-N 0 1 299.418 3.780 20 0 CHADMN CSc1cc(C)ccc1CNCc1ccc(C)nc1 ZINC000156212026 1122465601 /nfs/dbraw/zinc/46/56/01/1122465601.db2.gz NDETZYVDUVTGFO-UHFFFAOYSA-N 0 1 272.417 3.710 20 0 CHADMN CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cc(F)ccc2C)C1 ZINC000042145636 1122465670 /nfs/dbraw/zinc/46/56/70/1122465670.db2.gz LRNGTXJSDKBOSE-UONOGXRCSA-N 0 1 292.398 3.583 20 0 CHADMN CC[N@@H+](CCCCCC(=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000514943721 1122465714 /nfs/dbraw/zinc/46/57/14/1122465714.db2.gz KDIVWEDNDVDMST-CQSZACIVSA-N 0 1 293.407 3.723 20 0 CHADMN Cc1ccc(C(C)C)cc1NS(=O)(=O)c1ccoc1 ZINC001188615284 1122468541 /nfs/dbraw/zinc/46/85/41/1122468541.db2.gz MCZILRKZSMTBDD-UHFFFAOYSA-N 0 1 279.361 3.512 20 0 CHADMN O=C(c1ccc(O)c(C(F)(F)F)c1)N1CCC12CCCC2 ZINC001188572952 1122468838 /nfs/dbraw/zinc/46/88/38/1122468838.db2.gz XMTVIEXRXZKYBE-UHFFFAOYSA-N 0 1 299.292 3.570 20 0 CHADMN Cc1cccc(C(C)(C)C)c1NS(=O)(=O)c1ccoc1 ZINC001188614157 1122468842 /nfs/dbraw/zinc/46/88/42/1122468842.db2.gz KOOPVVRDPMJXBR-UHFFFAOYSA-N 0 1 293.388 3.686 20 0 CHADMN CCCC(CCC)SCCN1C[C@@H](C)O[C@H](C)C1 ZINC001188683563 1122473341 /nfs/dbraw/zinc/47/33/41/1122473341.db2.gz HOJGMCVGVOLAEW-ZIAGYGMSSA-N 0 1 273.486 3.798 20 0 CHADMN c1ccc(-c2nc3c(s2)C[N@H+]([C@@H]2C[C@H]4C[C@H]4C2)C3)cc1 ZINC001167959391 1122475532 /nfs/dbraw/zinc/47/55/32/1122475532.db2.gz NZMPAGRKJJAKBR-BTTYYORXSA-N 0 1 282.412 3.924 20 0 CHADMN c1ccc(-c2nc3c(s2)CN([C@@H]2C[C@H]4C[C@H]4C2)C3)cc1 ZINC001167959391 1122475534 /nfs/dbraw/zinc/47/55/34/1122475534.db2.gz NZMPAGRKJJAKBR-BTTYYORXSA-N 0 1 282.412 3.924 20 0 CHADMN CC[C@@H]1CN(CCC2CCCCCC2)C[C@@H](C)[S@@]1=O ZINC000515093021 1122476667 /nfs/dbraw/zinc/47/66/67/1122476667.db2.gz BRPNSZSKPFYOMQ-OGWOLHLISA-N 0 1 285.497 3.578 20 0 CHADMN CC[C@@H](SCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001188940065 1122481418 /nfs/dbraw/zinc/48/14/18/1122481418.db2.gz GQPQIIINDVYJEH-HLLBOEOZSA-N 0 1 293.476 3.980 20 0 CHADMN CC1(CSc2nc(Cc3ccccc3)n[nH]2)CCC1 ZINC001189183795 1122491418 /nfs/dbraw/zinc/49/14/18/1122491418.db2.gz XOSANGJCLSZQGW-UHFFFAOYSA-N 0 1 273.405 3.678 20 0 CHADMN CC1(CSc2n[nH]c(Cc3ccccc3)n2)CCC1 ZINC001189183795 1122491421 /nfs/dbraw/zinc/49/14/21/1122491421.db2.gz XOSANGJCLSZQGW-UHFFFAOYSA-N 0 1 273.405 3.678 20 0 CHADMN Cc1nc(SCc2nncs2)[nH]c1-c1ccccc1 ZINC001189173327 1122492324 /nfs/dbraw/zinc/49/23/24/1122492324.db2.gz BEAMHENSFKKYRH-UHFFFAOYSA-N 0 1 288.401 3.529 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@@H]2c2ccc(F)cc2)[nH]1 ZINC001203234292 1122498067 /nfs/dbraw/zinc/49/80/67/1122498067.db2.gz LHXJZIFXCNNIME-MRXNPFEDSA-N 0 1 287.382 3.757 20 0 CHADMN Cc1nc([C@H](C)Sc2nc3cc(C)ccc3s2)n[nH]1 ZINC001190129409 1122526891 /nfs/dbraw/zinc/52/68/91/1122526891.db2.gz QQQHHXRPVATBSC-QMMMGPOBSA-N 0 1 290.417 3.885 20 0 CHADMN CCOC(=O)c1oc2ccccc2c1CN1CCC=C(C)C1 ZINC000436260822 1122528652 /nfs/dbraw/zinc/52/86/52/1122528652.db2.gz NERQHILAQJFSSO-UHFFFAOYSA-N 0 1 299.370 3.762 20 0 CHADMN CC1=CCCN(Cc2cncc(OCc3ccccc3)c2)C1 ZINC000436263844 1122529785 /nfs/dbraw/zinc/52/97/85/1122529785.db2.gz ICKPUUJHWIOYKB-UHFFFAOYSA-N 0 1 294.398 3.813 20 0 CHADMN FCCN[C@@H](Cc1ccccc1F)c1ccccc1 ZINC000436314610 1122537809 /nfs/dbraw/zinc/53/78/09/1122537809.db2.gz YROQWLKQQOXZLF-INIZCTEOSA-N 0 1 261.315 3.669 20 0 CHADMN C[C@H]1CN(CCCOc2cccc3ccccc32)[C@@H](C)CO1 ZINC000515780662 1122538861 /nfs/dbraw/zinc/53/88/61/1122538861.db2.gz WYRCSUCWSQWGLC-HOTGVXAUSA-N 0 1 299.414 3.718 20 0 CHADMN Cc1ccc(CN(Cc2cnc(C)cn2)C(C)C)s1 ZINC000505796485 1122539925 /nfs/dbraw/zinc/53/99/25/1122539925.db2.gz PEHNYUHVIWCNPV-UHFFFAOYSA-N 0 1 275.421 3.566 20 0 CHADMN CCN(CCOC1CCCCC1)Cc1ccccc1F ZINC001190627908 1122548675 /nfs/dbraw/zinc/54/86/75/1122548675.db2.gz OPCBBNSGCONWPA-UHFFFAOYSA-N 0 1 279.399 3.997 20 0 CHADMN C[C@@H](C1CC1)N(Cc1noc2c1CC(C)(C)CC2)C1CC1 ZINC001190673603 1122551480 /nfs/dbraw/zinc/55/14/80/1122551480.db2.gz KILKPNSUFRMNRA-LBPRGKRZSA-N 0 1 288.435 3.952 20 0 CHADMN FC(F)(F)SCCN1CCCc2sccc2C1 ZINC001190894562 1122559268 /nfs/dbraw/zinc/55/92/68/1122559268.db2.gz GILCQWXPKFBFCQ-UHFFFAOYSA-N 0 1 281.368 3.749 20 0 CHADMN CCS[C@H]1CCCCN(CC=C(Cl)Cl)C1 ZINC001190934396 1122560625 /nfs/dbraw/zinc/56/06/25/1122560625.db2.gz LXQDMMYJMQAJPE-JTQLQIEISA-N 0 1 268.253 3.913 20 0 CHADMN Cc1cnc(CN(Cc2cccc(Cl)c2)C(C)C)cn1 ZINC000505848449 1122562120 /nfs/dbraw/zinc/56/21/20/1122562120.db2.gz SMLIXHOUZVTZMI-UHFFFAOYSA-N 0 1 289.810 3.849 20 0 CHADMN CC1(C2CC2)CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000436612745 1122565549 /nfs/dbraw/zinc/56/55/49/1122565549.db2.gz YVDYQEKXLSSIGD-UHFFFAOYSA-N 0 1 293.794 3.698 20 0 CHADMN CC1(C)CO[C@@H](CN2CCC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC001191039533 1122566216 /nfs/dbraw/zinc/56/62/16/1122566216.db2.gz QPTNKMYZLHNRCU-CZUORRHYSA-N 0 1 295.373 3.917 20 0 CHADMN Cc1cccc(CNC(=O)Nc2cccc(Cl)c2O)c1 ZINC001190995057 1122566387 /nfs/dbraw/zinc/56/63/87/1122566387.db2.gz RHZINUKUGHKUDB-UHFFFAOYSA-N 0 1 290.750 3.676 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)CCC2CCC2)c1 ZINC000436649512 1122568420 /nfs/dbraw/zinc/56/84/20/1122568420.db2.gz WWULIGZHKFFPII-UHFFFAOYSA-N 0 1 275.348 3.504 20 0 CHADMN Cc1ccc(Cl)cc1N(C)C(=O)c1c(O)cccc1F ZINC000436703407 1122573454 /nfs/dbraw/zinc/57/34/54/1122573454.db2.gz GYAFVYGCSSCBMV-UHFFFAOYSA-N 0 1 293.725 3.770 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CC(C2CCCCC2)C1 ZINC000436727587 1122577517 /nfs/dbraw/zinc/57/75/17/1122577517.db2.gz AFINUTBHWYAGOY-UHFFFAOYSA-N 0 1 293.794 3.698 20 0 CHADMN CCNc1nc(CN2CCC[C@](C)(CC)C2)cs1 ZINC001191212904 1122582238 /nfs/dbraw/zinc/58/22/38/1122582238.db2.gz DTKRDJXTLCQDRO-AWEZNQCLSA-N 0 1 267.442 3.587 20 0 CHADMN CCOC(=O)/C=C/CN1CCCCC[C@@H]1c1ccc(C)o1 ZINC001191176740 1122583079 /nfs/dbraw/zinc/58/30/79/1122583079.db2.gz ZHMYDGPMANCJGO-LOWQCSRCSA-N 0 1 291.391 3.624 20 0 CHADMN CC/C=C\CCSc1nc(-c2ccccc2O)n[nH]1 ZINC000436835351 1122585315 /nfs/dbraw/zinc/58/53/15/1122585315.db2.gz DEPUXSFIXOGOGP-ARJAWSKDSA-N 0 1 275.377 3.626 20 0 CHADMN CN(C(=O)c1c(O)cc(Cl)cc1Cl)[C@H]1CC1(C)C ZINC000436814319 1122585971 /nfs/dbraw/zinc/58/59/71/1122585971.db2.gz KIKXEEWGPQDZLP-JTQLQIEISA-N 0 1 288.174 3.570 20 0 CHADMN O=C(c1ccc(F)cc1O)N1CCC[C@@H](c2ccccc2)C1 ZINC000436854514 1122586624 /nfs/dbraw/zinc/58/66/24/1122586624.db2.gz SPSNDCYPPLBPGN-CQSZACIVSA-N 0 1 299.345 3.551 20 0 CHADMN CCc1cnc(CN(C)CC2CC3(CCC3)C2)s1 ZINC001191358226 1122592808 /nfs/dbraw/zinc/59/28/08/1122592808.db2.gz GWIAXKVMPRQDGL-UHFFFAOYSA-N 0 1 264.438 3.718 20 0 CHADMN C[C@@H]1C[C@H](CN2CCc3c(F)ccc(F)c3C2)C[C@H](C)O1 ZINC001191417088 1122599316 /nfs/dbraw/zinc/59/93/16/1122599316.db2.gz MNZWORHXGBONBE-ITGUQSILSA-N 0 1 295.373 3.527 20 0 CHADMN Cc1nn2c(CN3CCCC[C@@H]3C)c(C(C)C)nc2s1 ZINC000505912737 1122600435 /nfs/dbraw/zinc/60/04/35/1122600435.db2.gz OAAPQBSDPRXFPI-NSHDSACASA-N 0 1 292.452 3.597 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1ccc(F)cc1 ZINC001191476586 1122601254 /nfs/dbraw/zinc/60/12/54/1122601254.db2.gz SANDLEYGTGKSEJ-CYBMUJFWSA-N 0 1 255.336 3.945 20 0 CHADMN C[C@@H]1CCN(Cc2cc(F)ccc2Br)[C@H]1C ZINC001191486254 1122602097 /nfs/dbraw/zinc/60/20/97/1122602097.db2.gz NSXKJOZNKKJGJS-ZJUUUORDSA-N 0 1 286.188 3.819 20 0 CHADMN C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc(O)c(Cl)c1 ZINC000436985230 1122602872 /nfs/dbraw/zinc/60/28/72/1122602872.db2.gz DPGNSKWFTDDLTO-UWVGGRQHSA-N 0 1 281.783 3.600 20 0 CHADMN CCc1onc(C)c1C[N@@H+](C)[C@@H](C)Cc1cccs1 ZINC001191463634 1122602971 /nfs/dbraw/zinc/60/29/71/1122602971.db2.gz FIMWIVRNSMDTHU-NSHDSACASA-N 0 1 278.421 3.670 20 0 CHADMN COc1ccc(Cl)c(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1 ZINC001191463849 1122603602 /nfs/dbraw/zinc/60/36/02/1122603602.db2.gz GVHGZZFSKYTFPX-NSHDSACASA-N 0 1 267.800 3.969 20 0 CHADMN CC(C)[C@@H]1CCN(Cc2cc(C(F)(F)F)co2)C1 ZINC001191541007 1122604383 /nfs/dbraw/zinc/60/43/83/1122604383.db2.gz LJVQUHISLLALKR-SNVBAGLBSA-N 0 1 261.287 3.776 20 0 CHADMN CC(C)N(C)c1ccccc1CN[C@@H](C)c1cncs1 ZINC000437077367 1122609197 /nfs/dbraw/zinc/60/91/97/1122609197.db2.gz OBFSHLIDBNRISY-ZDUSSCGKSA-N 0 1 289.448 3.839 20 0 CHADMN CCC[N@H+](Cc1ncccc1[O-])[C@@H]1CCc2ccccc21 ZINC000516558693 1122611436 /nfs/dbraw/zinc/61/14/36/1122611436.db2.gz CIVZYCHOARNQTP-QGZVFWFLSA-N 0 1 282.387 3.687 20 0 CHADMN CCC[N@@H+](Cc1ncccc1[O-])[C@@H]1CCc2ccccc21 ZINC000516558693 1122611438 /nfs/dbraw/zinc/61/14/38/1122611438.db2.gz CIVZYCHOARNQTP-QGZVFWFLSA-N 0 1 282.387 3.687 20 0 CHADMN Cc1cnccc1CCN(C)Cc1ccc(F)cc1Cl ZINC000516565854 1122612748 /nfs/dbraw/zinc/61/27/48/1122612748.db2.gz MHLARSDXCCJGBH-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2cncnc2C)cc1F ZINC000516584521 1122614362 /nfs/dbraw/zinc/61/43/62/1122614362.db2.gz YHMRMVDWEVMICU-YPMHNXCESA-N 0 1 273.355 3.644 20 0 CHADMN Fc1cccc(CN2C[C@H]3CC[C@@H]2C3)c1Br ZINC000158037951 1122619240 /nfs/dbraw/zinc/61/92/40/1122619240.db2.gz VOCWNEUIRCQCHE-GXSJLCMTSA-N 0 1 284.172 3.573 20 0 CHADMN CCCC[C@H](C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000506000668 1122623004 /nfs/dbraw/zinc/62/30/04/1122623004.db2.gz BFIRWEFDDCDMDS-QMMMGPOBSA-N 0 1 273.735 3.950 20 0 CHADMN c1ccc(CN2CC[C@H]2CNc2nc3ccccc3o2)cc1 ZINC000664632307 1122633578 /nfs/dbraw/zinc/63/35/78/1122633578.db2.gz QGDRJKJDLPPFOQ-HNNXBMFYSA-N 0 1 293.370 3.514 20 0 CHADMN c1cc2c(ccnc2NC[C@H]2CC[N@H+]2Cc2ccccc2)o1 ZINC000664630470 1122633598 /nfs/dbraw/zinc/63/35/98/1122633598.db2.gz CXUYCLIMRQVJJT-OAHLLOKOSA-N 0 1 293.370 3.514 20 0 CHADMN COc1cc(C)c(CN2CCC[C@](C)(F)C2)cc1C ZINC001203755569 1122638939 /nfs/dbraw/zinc/63/89/39/1122638939.db2.gz MQQWEHHFKAGYLN-INIZCTEOSA-N 0 1 265.372 3.636 20 0 CHADMN CN1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2Cl)C1 ZINC001225921108 1122640415 /nfs/dbraw/zinc/64/04/15/1122640415.db2.gz RXMMHGSIVRPCEM-SNVBAGLBSA-N 0 1 293.716 3.832 20 0 CHADMN CC[C@@H](c1ccccc1)N(CC(=O)OC)C[C@@H]1C[C@H]1CC ZINC001192370151 1122641995 /nfs/dbraw/zinc/64/19/95/1122641995.db2.gz PNIVZGITZXDYMF-PVAVHDDUSA-N 0 1 289.419 3.659 20 0 CHADMN CCC1(NC(=O)c2c(O)ccc(F)c2F)CCCCC1 ZINC001192785024 1122658807 /nfs/dbraw/zinc/65/88/07/1122658807.db2.gz AATNEQXITLLCOC-UHFFFAOYSA-N 0 1 283.318 3.513 20 0 CHADMN C[C@@H](NC[C@@H]1CC1(Cl)Cl)c1cccc(F)c1F ZINC000775551594 1122661316 /nfs/dbraw/zinc/66/13/16/1122661316.db2.gz ZXHBUJXUBXWVCC-SFYZADRCSA-N 0 1 280.145 3.809 20 0 CHADMN C[N@@H+](Cc1ccccc1)Cc1ccccc1N1CCCC1 ZINC000506165686 1122666120 /nfs/dbraw/zinc/66/61/20/1122666120.db2.gz XRQJALUMVJYNSV-UHFFFAOYSA-N 0 1 280.415 3.919 20 0 CHADMN CC1(C)CN(Cc2cc3c(cccc3F)[nH]2)CCS1 ZINC000438105174 1122678189 /nfs/dbraw/zinc/67/81/89/1122678189.db2.gz MZYPHACAYAXWQE-UHFFFAOYSA-N 0 1 278.396 3.634 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1c(Cl)cnn1C ZINC000438121404 1122682862 /nfs/dbraw/zinc/68/28/62/1122682862.db2.gz PBLXPFQBZNMMFX-GFCCVEGCSA-N 0 1 269.820 3.618 20 0 CHADMN CCc1cccc2c(CCN[C@@H](C)c3ncco3)c[nH]c21 ZINC000925030234 1122688816 /nfs/dbraw/zinc/68/88/16/1122688816.db2.gz GZZUDUAATSCVFM-LBPRGKRZSA-N 0 1 283.375 3.612 20 0 CHADMN CC(C)c1cc(C(=O)N(C)CCC2CCCCC2)n[nH]1 ZINC000506199588 1122688892 /nfs/dbraw/zinc/68/88/92/1122688892.db2.gz JAXBQKPFRVWNPE-UHFFFAOYSA-N 0 1 277.412 3.576 20 0 CHADMN Cc1ccc2cc(CN3C[C@H](C)O[C@H](C)[C@@H]3C)ccc2n1 ZINC000438348954 1122692238 /nfs/dbraw/zinc/69/22/38/1122692238.db2.gz ZSSWZJDLGDPZQV-SOUVJXGZSA-N 0 1 284.403 3.541 20 0 CHADMN Cc1cc(CN2C[C@H](C)O[C@H](C)[C@H]2C)cc2cccnc12 ZINC000438360666 1122693063 /nfs/dbraw/zinc/69/30/63/1122693063.db2.gz WPIVBVXIPVORJB-RRFJBIMHSA-N 0 1 284.403 3.541 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2scnc2Cl)C1 ZINC001193495857 1122693258 /nfs/dbraw/zinc/69/32/58/1122693258.db2.gz DHFGQRPZLGPHQJ-SNVBAGLBSA-N 0 1 258.818 3.665 20 0 CHADMN C[S@@](=O)c1ccc(CN2CCCC3(CCCC3)C2)cc1 ZINC000438348753 1122693807 /nfs/dbraw/zinc/69/38/07/1122693807.db2.gz LZBGWQINNZTLRF-HXUWFJFHSA-N 0 1 291.460 3.580 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)[C@@H](C)[C@@H](C)O1 ZINC000438367644 1122694385 /nfs/dbraw/zinc/69/43/85/1122694385.db2.gz OPDBHOWUJCHQDI-GRYCIOLGSA-N 0 1 287.325 3.703 20 0 CHADMN O=C(Nc1cnccc1N1CCCCC1)OC1CCCC1 ZINC001193536400 1122694918 /nfs/dbraw/zinc/69/49/18/1122694918.db2.gz OBLLSULUSHTNKZ-UHFFFAOYSA-N 0 1 289.379 3.563 20 0 CHADMN C[C@@H](NCc1cccc2c1OC(F)(F)O2)c1cccs1 ZINC001193546765 1122695192 /nfs/dbraw/zinc/69/51/92/1122695192.db2.gz YTUWISLHYKJQCF-SECBINFHSA-N 0 1 297.326 3.920 20 0 CHADMN CC(C)C1(C)CCN(Cc2cn(-c3ccccc3)nn2)CC1 ZINC001193616934 1122701296 /nfs/dbraw/zinc/70/12/96/1122701296.db2.gz QMTSEJOCBPPAFI-UHFFFAOYSA-N 0 1 298.434 3.525 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Cl)nn2)CC12CCCCC2 ZINC001193637548 1122703579 /nfs/dbraw/zinc/70/35/79/1122703579.db2.gz YNFORAMNVLMVMI-CYBMUJFWSA-N 0 1 293.842 3.922 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Cl)nn2)CC12CCCCC2 ZINC001193637551 1122704122 /nfs/dbraw/zinc/70/41/22/1122704122.db2.gz YNFORAMNVLMVMI-ZDUSSCGKSA-N 0 1 293.842 3.922 20 0 CHADMN CCCc1csc(CN2C[C@H](C)C[C@@H](C)C2)n1 ZINC000426035925 1122705053 /nfs/dbraw/zinc/70/50/53/1122705053.db2.gz OFGMKXMHIZANNX-VXGBXAGGSA-N 0 1 252.427 3.574 20 0 CHADMN CCn1c2ccc(F)cc2nc1C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000438509786 1122707219 /nfs/dbraw/zinc/70/72/19/1122707219.db2.gz QBPDPNHGROULSE-CYBMUJFWSA-N 0 1 289.398 3.673 20 0 CHADMN CC(C)CCc1noc(CN[C@H]2CCC(C)(C)C[C@H]2C)n1 ZINC001193664774 1122708425 /nfs/dbraw/zinc/70/84/25/1122708425.db2.gz ZUKQXOJVVWFAQS-KGLIPLIRSA-N 0 1 293.455 3.963 20 0 CHADMN Cc1ccc2cc([C@H](C)N[C@H](C)c3cn[nH]c3)oc2c1 ZINC000426059091 1122709254 /nfs/dbraw/zinc/70/92/54/1122709254.db2.gz NQICVNTZEAHLHX-NEPJUHHUSA-N 0 1 269.348 3.876 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccsc2Cl)c1 ZINC000438559218 1122710010 /nfs/dbraw/zinc/71/00/10/1122710010.db2.gz QFCAMMHIOXFBHW-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN CC(C)COC(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001193835874 1122723629 /nfs/dbraw/zinc/72/36/29/1122723629.db2.gz AQNGEUYVYMWQPQ-UHFFFAOYSA-N 0 1 278.135 3.904 20 0 CHADMN CC1(CC(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)CC1 ZINC000429607042 1122728050 /nfs/dbraw/zinc/72/80/50/1122728050.db2.gz VCTFGTKJYGTQIJ-UHFFFAOYSA-N 0 1 295.342 3.952 20 0 CHADMN CCC(CC)n1ccc(CN(C)[C@@H]2CC[C@@H](C)C2)n1 ZINC000429595864 1122729661 /nfs/dbraw/zinc/72/96/61/1122729661.db2.gz XMNMAISQIZUSTR-CZUORRHYSA-N 0 1 263.429 3.865 20 0 CHADMN CCCN(C)Cc1ccc(C)cc1Br ZINC000506418018 1122734615 /nfs/dbraw/zinc/73/46/15/1122734615.db2.gz UOBPMWZBMNQJJO-UHFFFAOYSA-N 0 1 256.187 3.599 20 0 CHADMN Cc1ccccc1[C@@H](N[C@H](C)c1cn(C(C)C)nn1)C1CC1 ZINC000925046505 1122752585 /nfs/dbraw/zinc/75/25/85/1122752585.db2.gz QXVRBWOASKIFAA-KDOFPFPSSA-N 0 1 298.434 3.969 20 0 CHADMN COc1ccc([C@H](N[C@@H]2C[C@@H](C)n3ccnc32)C2CC2)cc1 ZINC000295809481 1122756867 /nfs/dbraw/zinc/75/68/67/1122756867.db2.gz CPRXKGAUSQRBJQ-CSMYWGQOSA-N 0 1 297.402 3.638 20 0 CHADMN CCCSc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC001250560485 1122757972 /nfs/dbraw/zinc/75/79/72/1122757972.db2.gz BFXOFYISQJLPSM-ZDUSSCGKSA-N 0 1 262.378 3.917 20 0 CHADMN CCc1cccc(OCCN2Cc3ccccc3C2)c1 ZINC000518513134 1122763561 /nfs/dbraw/zinc/76/35/61/1122763561.db2.gz RTWSTIZIYFJLBQ-UHFFFAOYSA-N 0 1 267.372 3.644 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@H]2CCCc3c(O)cccc32)cn1 ZINC000518637873 1122774933 /nfs/dbraw/zinc/77/49/33/1122774933.db2.gz XXJGYIMVXHVWBA-DYVFJYSZSA-N 0 1 299.418 3.898 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCCc3c[nH]nc32)cs1 ZINC000296840245 1122779757 /nfs/dbraw/zinc/77/97/57/1122779757.db2.gz MWLLHDFMOSLCTG-GWCFXTLKSA-N 0 1 261.394 3.508 20 0 CHADMN CCCc1csc(CN(C)[C@H](C)C2(C)CC2)n1 ZINC000426394031 1122782568 /nfs/dbraw/zinc/78/25/68/1122782568.db2.gz CBGKOBQPVDTJQE-LLVKDONJSA-N 0 1 252.427 3.716 20 0 CHADMN CC(C)(C)OC(=O)C1(CCN2CCC[C@](C)(F)C2)CCC1 ZINC001194598481 1122785415 /nfs/dbraw/zinc/78/54/15/1122785415.db2.gz ASPNGPGCWIGKPF-INIZCTEOSA-N 0 1 299.430 3.713 20 0 CHADMN CCCc1csc(CN2CCC[C@@H](CC)C2)n1 ZINC000426414270 1122787650 /nfs/dbraw/zinc/78/76/50/1122787650.db2.gz AKJABHQIKBPGOU-GFCCVEGCSA-N 0 1 252.427 3.718 20 0 CHADMN C[C@H](NCc1cccc(N)c1)c1ccc(F)cc1Cl ZINC001194615682 1122788328 /nfs/dbraw/zinc/78/83/28/1122788328.db2.gz JDYLGTYGMAAZDO-JTQLQIEISA-N 0 1 278.758 3.912 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccc(Cl)o1)CC2 ZINC000518799293 1122793329 /nfs/dbraw/zinc/79/33/29/1122793329.db2.gz QJZZDPVGNHULBL-ZDUSSCGKSA-N 0 1 265.715 3.849 20 0 CHADMN CCC(CC)COC(=O)Nc1c(O)cc(F)cc1F ZINC001194707356 1122795537 /nfs/dbraw/zinc/79/55/37/1122795537.db2.gz TVLQIBQNKXPSTN-UHFFFAOYSA-N 0 1 273.279 3.655 20 0 CHADMN FC(F)n1c2ccccc2nc1CN1CC[C@@H]2CCC[C@H]21 ZINC000426455227 1122796419 /nfs/dbraw/zinc/79/64/19/1122796419.db2.gz BSAVNRIVMFWSLL-WCQYABFASA-N 0 1 291.345 3.806 20 0 CHADMN Brc1cc(CN2CC[C@H]3CCC[C@H]32)cs1 ZINC000426464313 1122798029 /nfs/dbraw/zinc/79/80/29/1122798029.db2.gz WKLMIHOUYUDMPS-GHMZBOCLSA-N 0 1 286.238 3.885 20 0 CHADMN Cc1nc2scc(C3CC3)n2c1C[N@H+](C)C1CCC1 ZINC000297640957 1122799695 /nfs/dbraw/zinc/79/96/95/1122799695.db2.gz ILKYOYCRINLCFP-UHFFFAOYSA-N 0 1 275.421 3.566 20 0 CHADMN c1coc(-c2nc(CN3CC[C@H]4CCC[C@H]43)cs2)c1 ZINC000426491952 1122804668 /nfs/dbraw/zinc/80/46/68/1122804668.db2.gz LRNBTKBZFPZDBR-DGCLKSJQSA-N 0 1 274.389 3.778 20 0 CHADMN CCc1sc(-c2nnc(CN(C)[C@@H](C)CC)o2)cc1C ZINC000439945952 1122814777 /nfs/dbraw/zinc/81/47/77/1122814777.db2.gz AUMFTMZFQKRAAC-NSHDSACASA-N 0 1 293.436 3.899 20 0 CHADMN C[C@@H]1c2ccsc2CCN1Cc1c[nH]nc1C(C)(C)C ZINC000506742154 1122818777 /nfs/dbraw/zinc/81/87/77/1122818777.db2.gz DHRFQKYVRVFFON-LLVKDONJSA-N 0 1 289.448 3.888 20 0 CHADMN Cc1occc1CN[C@H](C)c1cc2ccccc2[nH]1 ZINC000775620970 1122821747 /nfs/dbraw/zinc/82/17/47/1122821747.db2.gz FRLMMDMEHKUHPV-LLVKDONJSA-N 0 1 254.333 3.920 20 0 CHADMN CN(Cc1cnc(-c2ccco2)s1)[C@@H]1CC1(C)C ZINC000426564283 1122821911 /nfs/dbraw/zinc/82/19/11/1122821911.db2.gz CMHIDCBGJAAUCT-GFCCVEGCSA-N 0 1 262.378 3.633 20 0 CHADMN Cc1ccn2c(CN(C)Cc3ccc(Cl)cc3)cnc2c1 ZINC000506766883 1122826104 /nfs/dbraw/zinc/82/61/04/1122826104.db2.gz JEEDGKUVSIXKTP-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN CCCC[C@](C)(F)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000664791885 1122831269 /nfs/dbraw/zinc/83/12/69/1122831269.db2.gz KWCWKUZXVMLWEO-HNNXBMFYSA-N 0 1 288.326 3.988 20 0 CHADMN C[C@H]1C[C@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC001250614791 1122836608 /nfs/dbraw/zinc/83/66/08/1122836608.db2.gz JVDLJAMODQSWBX-CAHLUQPWSA-N 0 1 258.218 3.844 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@H](C)c1cn2ccccc2n1 ZINC000519423378 1122837094 /nfs/dbraw/zinc/83/70/94/1122837094.db2.gz FBTCTNAOKYYXCJ-MNOVXSKESA-N 0 1 285.313 3.716 20 0 CHADMN C[Si](C)(C)CCS(=O)(=O)Nc1cccc2ccoc21 ZINC001195081954 1122841376 /nfs/dbraw/zinc/84/13/76/1122841376.db2.gz XSHKXPXIQOCDSW-UHFFFAOYSA-N 0 1 297.452 3.513 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1c1ccncc1 ZINC000894450141 1122854998 /nfs/dbraw/zinc/85/49/98/1122854998.db2.gz SILMNQXAEASXPM-GOSISDBHSA-N 0 1 298.434 3.813 20 0 CHADMN Cc1coc(CN2C[C@H](C)C[C@H]2c2cccnc2)c1 ZINC000894461205 1122858483 /nfs/dbraw/zinc/85/84/83/1122858483.db2.gz DAOWABBRINHTNL-WBMJQRKESA-N 0 1 256.349 3.566 20 0 CHADMN Cc1ncoc1CN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000894467137 1122859541 /nfs/dbraw/zinc/85/95/41/1122859541.db2.gz WDKKYDFTZBQKLW-LBPRGKRZSA-N 0 1 270.376 3.713 20 0 CHADMN C[C@@H]1[C@H](C)CN(Cc2nccc(Cl)c2Cl)[C@H]1C ZINC001195289226 1122861090 /nfs/dbraw/zinc/86/10/90/1122861090.db2.gz LDPCEESKPZCJRK-BBBLOLIVSA-N 0 1 273.207 3.865 20 0 CHADMN CC[C@@H]1CN(Cc2ccccc2CF)C[C@H](CC)O1 ZINC001195300842 1122862993 /nfs/dbraw/zinc/86/29/93/1122862993.db2.gz WHTZSETWBMKETK-IYBDPMFKSA-N 0 1 265.372 3.546 20 0 CHADMN C[C@@H]1Cc2cc(CN(Cc3ccccn3)C3CC3)ccc2O1 ZINC000894490255 1122863180 /nfs/dbraw/zinc/86/31/80/1122863180.db2.gz NGJDPDDJHMSKMN-CQSZACIVSA-N 0 1 294.398 3.570 20 0 CHADMN Cc1c2[nH]c(-c3cnn(C(C)C)c3)nc2ccc1Cl ZINC001250641099 1122870313 /nfs/dbraw/zinc/87/03/13/1122870313.db2.gz JGAAIQIGWOMGAL-UHFFFAOYSA-N 0 1 274.755 3.969 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1ocnc1C ZINC000894563541 1122875710 /nfs/dbraw/zinc/87/57/10/1122875710.db2.gz RYFCTTLIMGMAAJ-LCYFTJDESA-N 0 1 256.349 3.518 20 0 CHADMN Fc1ccc2nc(-c3csc(Br)n3)[nH]c2c1 ZINC001250661990 1122877533 /nfs/dbraw/zinc/87/75/33/1122877533.db2.gz AEDTZBIFIFWUHL-UHFFFAOYSA-N 0 1 298.140 3.588 20 0 CHADMN COc1ccc(CN[C@@H]2CCCc3c(F)cccc32)o1 ZINC000894658391 1122885041 /nfs/dbraw/zinc/88/50/41/1122885041.db2.gz GDDGGAALDSEOPK-OAHLLOKOSA-N 0 1 275.323 3.595 20 0 CHADMN C[C@@]1(Cc2cccc(Cl)c2)CCCN1CC1=NOCC1 ZINC001195758377 1122885265 /nfs/dbraw/zinc/88/52/65/1122885265.db2.gz REWLAOXTWSNRIF-INIZCTEOSA-N 0 1 292.810 3.513 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)C[C@@H](O)CC1CCCC1 ZINC000473750343 1122885833 /nfs/dbraw/zinc/88/58/33/1122885833.db2.gz WVPVRGXKUYGMCK-WFASDCNBSA-N 0 1 297.389 3.899 20 0 CHADMN CCC(CC)N[C@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000154174651 1129084514 /nfs/dbraw/zinc/08/45/14/1129084514.db2.gz WZDSVQRKBPNWBZ-LLVKDONJSA-N 0 1 291.370 3.639 20 0 CHADMN Cc1cccc(CN(C)Cc2cnc(C(C)C)nc2)c1 ZINC000440466379 1122892401 /nfs/dbraw/zinc/89/24/01/1122892401.db2.gz KGNVPJBPKSMUHY-UHFFFAOYSA-N 0 1 269.392 3.540 20 0 CHADMN COc1ccc(C[C@@H]2CCCC[N@H+]2C/C=C/Cl)cc1 ZINC001195872887 1122894713 /nfs/dbraw/zinc/89/47/13/1122894713.db2.gz GDLNGZDKPSURFA-SHBKCBRUSA-N 0 1 279.811 3.845 20 0 CHADMN CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)o1 ZINC000894708744 1122897427 /nfs/dbraw/zinc/89/74/27/1122897427.db2.gz XKFMXFHFVMTZAM-QWRGUYRKSA-N 0 1 291.313 3.841 20 0 CHADMN CCOc1ccc(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)o1 ZINC000894708744 1122897431 /nfs/dbraw/zinc/89/74/31/1122897431.db2.gz XKFMXFHFVMTZAM-QWRGUYRKSA-N 0 1 291.313 3.841 20 0 CHADMN C[C@H]1CCCC[C@H]1Sc1nc(-c2ccccc2O)n[nH]1 ZINC000629111577 1122903069 /nfs/dbraw/zinc/90/30/69/1122903069.db2.gz KELXACSNIHFLOP-GXFFZTMASA-N 0 1 289.404 3.848 20 0 CHADMN CCn1cc([C@@H](C)NCc2ccc(C(F)F)c(F)c2)cn1 ZINC000894765202 1122903241 /nfs/dbraw/zinc/90/32/41/1122903241.db2.gz XRJRGEUKJJFKRT-SNVBAGLBSA-N 0 1 297.324 3.831 20 0 CHADMN C[C@H](N[C@H]1CCC(C)(C)C1)c1nc(C(C)(C)C)no1 ZINC000506943948 1122915881 /nfs/dbraw/zinc/91/58/81/1122915881.db2.gz JQAKDNVJTFJZNF-QWRGUYRKSA-N 0 1 265.401 3.596 20 0 CHADMN C[C@@H]1CC(C)(C)CC[C@@H]1NCc1nnc(C(C)(C)C)o1 ZINC000775707484 1122916480 /nfs/dbraw/zinc/91/64/80/1122916480.db2.gz KWBAJMVFUZJBHI-NEPJUHHUSA-N 0 1 279.428 3.672 20 0 CHADMN CN(Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C1CC1 ZINC000507122581 1122926941 /nfs/dbraw/zinc/92/69/41/1122926941.db2.gz UREXCHUCUUOVSW-UHFFFAOYSA-N 0 1 297.446 3.823 20 0 CHADMN C/C=C/C[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC001196612254 1122927761 /nfs/dbraw/zinc/92/77/61/1122927761.db2.gz BRDZSPVGQMNGLQ-BAABZTOOSA-N 0 1 269.392 3.741 20 0 CHADMN CCOc1cnc(N=C2CCC(C(F)(F)F)CC2)cn1 ZINC001196769206 1122931952 /nfs/dbraw/zinc/93/19/52/1122931952.db2.gz ZSYSGYXFKWTYMZ-VIFPVBQESA-N 0 1 287.285 3.534 20 0 CHADMN CCc1nccnc1NC1=CC[C@@H](C(F)(F)F)CC1 ZINC001196767804 1122932326 /nfs/dbraw/zinc/93/23/26/1122932326.db2.gz OEUJZVNCELZCKX-SECBINFHSA-N 0 1 271.286 3.697 20 0 CHADMN COc1cccc(-c2nc(CN3CC[C@H](C)C3)cs2)c1 ZINC000507165162 1122932856 /nfs/dbraw/zinc/93/28/56/1122932856.db2.gz NXTKGHHTTUYMRY-LBPRGKRZSA-N 0 1 288.416 3.661 20 0 CHADMN CCC1(C)CCN(CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000507185473 1122934950 /nfs/dbraw/zinc/93/49/50/1122934950.db2.gz XXQFJOKWPLVQQV-UHFFFAOYSA-N 0 1 294.826 3.791 20 0 CHADMN Cc1noc(C)c1CN(C)Cc1ccc(C)cc1C ZINC000102674375 1122935557 /nfs/dbraw/zinc/93/55/57/1122935557.db2.gz VZODSLDWGUJYSP-UHFFFAOYSA-N 0 1 258.365 3.540 20 0 CHADMN Cc1[nH]nc2ncc(CN3CCC[C@H]3c3ccsc3)cc12 ZINC000507174170 1122936879 /nfs/dbraw/zinc/93/68/79/1122936879.db2.gz QUIMCFBOJQJVSZ-HNNXBMFYSA-N 0 1 298.415 3.665 20 0 CHADMN COc1cccc([C@@H](C)[N@@H+](C)Cc2occc2C)c1 ZINC000507225436 1122939954 /nfs/dbraw/zinc/93/99/54/1122939954.db2.gz DBHMLGMSYUQTPC-CYBMUJFWSA-N 0 1 259.349 3.790 20 0 CHADMN COc1cccc([C@@H](C)N(C)Cc2occc2C)c1 ZINC000507225436 1122939958 /nfs/dbraw/zinc/93/99/58/1122939958.db2.gz DBHMLGMSYUQTPC-CYBMUJFWSA-N 0 1 259.349 3.790 20 0 CHADMN CCN(Cc1nc(-c2ccccc2)cs1)C1CC1 ZINC000507230780 1122940121 /nfs/dbraw/zinc/94/01/21/1122940121.db2.gz OZRLCYDBXWRLQW-UHFFFAOYSA-N 0 1 258.390 3.794 20 0 CHADMN CCN(Cc1cc(Cl)cc(Cl)c1OC)C1CC1 ZINC000507227124 1122941197 /nfs/dbraw/zinc/94/11/97/1122941197.db2.gz CVTZJOZWMUGKLF-UHFFFAOYSA-N 0 1 274.191 3.986 20 0 CHADMN CC(C)[C@@H]1CCN1Cc1ccc(CSC(F)F)o1 ZINC000775764377 1122949180 /nfs/dbraw/zinc/94/91/80/1122949180.db2.gz JNQAUXCAMDCDFK-LBPRGKRZSA-N 0 1 275.364 3.966 20 0 CHADMN CCCCC[C@H]1CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000427202958 1122949853 /nfs/dbraw/zinc/94/98/53/1122949853.db2.gz FEEJNPXSJPDXFZ-ZDUSSCGKSA-N 0 1 285.391 3.748 20 0 CHADMN Cc1oc2ccc(NC(=O)[C@H]3CCCN3C3CC3)cc2c1C ZINC000427196459 1122950896 /nfs/dbraw/zinc/95/08/96/1122950896.db2.gz LLGWDVKACTUNSY-MRXNPFEDSA-N 0 1 298.386 3.615 20 0 CHADMN C[C@H]1CC[C@H](C(=O)Nc2cc(F)cc(Cl)c2O)C1 ZINC000353894104 1122952065 /nfs/dbraw/zinc/95/20/65/1122952065.db2.gz MEWJLSHBOVOJHN-YUMQZZPRSA-N 0 1 271.719 3.559 20 0 CHADMN C[C@@H](c1ccccc1F)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664868685 1122952132 /nfs/dbraw/zinc/95/21/32/1122952132.db2.gz OZRYKOIVSRIUJF-LBPRGKRZSA-N 0 1 287.382 3.694 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1NCc1noc(-c2ccsc2)n1 ZINC000163232472 1129090282 /nfs/dbraw/zinc/09/02/82/1129090282.db2.gz VBPSGJTUGLOCKP-YPMHNXCESA-N 0 1 291.420 3.857 20 0 CHADMN Cc1nsc(C)c1CN1Cc2ccccc2[C@@H](C)C1 ZINC001197551773 1122959868 /nfs/dbraw/zinc/95/98/68/1122959868.db2.gz CEEVCKOYKQAMHH-NSHDSACASA-N 0 1 272.417 3.879 20 0 CHADMN Cc1cccc2ncc(CN3CCC[C@@H]4CCCC[C@H]43)n21 ZINC000353894575 1122960508 /nfs/dbraw/zinc/96/05/08/1122960508.db2.gz DSQVKGTURRXPNP-DOTOQJQBSA-N 0 1 283.419 3.797 20 0 CHADMN CCCOc1ccc(CN[C@@H](C)c2ncccc2CC)cn1 ZINC000507536681 1122962490 /nfs/dbraw/zinc/96/24/90/1122962490.db2.gz XCHDEKOWKVOSOB-AWEZNQCLSA-N 0 1 299.418 3.679 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2cccc(C)c2C)nn1C ZINC000487382661 1122965266 /nfs/dbraw/zinc/96/52/66/1122965266.db2.gz VZEOGNVQGJXEON-SFHVURJKSA-N 0 1 283.419 3.682 20 0 CHADMN Fc1ccc(F)c(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)c1 ZINC001197718935 1122965697 /nfs/dbraw/zinc/96/56/97/1122965697.db2.gz BSFLOHRKHIPNRD-MAUKXSAKSA-N 0 1 285.337 3.738 20 0 CHADMN CCc1nocc1CN[C@H](C)c1ccc(Cl)cc1 ZINC000647966625 1122967488 /nfs/dbraw/zinc/96/74/88/1122967488.db2.gz AMZVRTBNFCMNSP-SNVBAGLBSA-N 0 1 264.756 3.741 20 0 CHADMN C[C@H](c1cccc(Cl)c1)N1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001197785897 1122969865 /nfs/dbraw/zinc/96/98/65/1122969865.db2.gz LHUOVKRNNLLPSP-VXGBXAGGSA-N 0 1 289.810 3.819 20 0 CHADMN Cc1cccc(CN2CC[C@@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001203887193 1122972325 /nfs/dbraw/zinc/97/23/25/1122972325.db2.gz ACNQNYQZZFHSRH-OAHLLOKOSA-N 0 1 291.391 3.521 20 0 CHADMN CCCN1Cc2cccc(N[C@@H](C)c3cnc(C)cn3)c2C1 ZINC000427442006 1122977088 /nfs/dbraw/zinc/97/70/88/1122977088.db2.gz DKOWGNGEWNZLCG-AWEZNQCLSA-N 0 1 296.418 3.684 20 0 CHADMN CN(CCC1CCCCC1)CC(=O)N(C)c1ccccc1 ZINC000507613435 1122977301 /nfs/dbraw/zinc/97/73/01/1122977301.db2.gz BNLVKIJSRZKIJR-UHFFFAOYSA-N 0 1 288.435 3.552 20 0 CHADMN Cc1nn(C)c(C)c1CN(C)Cc1ccc(C(C)C)cc1 ZINC000154693891 1129090670 /nfs/dbraw/zinc/09/06/70/1129090670.db2.gz ZDUSNLWOMGDXOV-UHFFFAOYSA-N 0 1 285.435 3.792 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccc(F)cn1)CCC2 ZINC000334260040 1122978251 /nfs/dbraw/zinc/97/82/51/1122978251.db2.gz VOQNHUKTZICDHN-QGZVFWFLSA-N 0 1 270.351 3.696 20 0 CHADMN CC(C)(C)CN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000507672370 1122983232 /nfs/dbraw/zinc/98/32/32/1122983232.db2.gz KIFQRJKAKBNXJU-AWEZNQCLSA-N 0 1 267.800 3.759 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCOC3(CCCCC3)C2)no1 ZINC000334308818 1122984614 /nfs/dbraw/zinc/98/46/14/1122984614.db2.gz IYABNYYDUUNFHL-UONOGXRCSA-N 0 1 278.396 3.516 20 0 CHADMN CCCCCNC(=O)CN(CC)[C@@H](C)c1ccc(F)cc1 ZINC000507689286 1122988671 /nfs/dbraw/zinc/98/86/71/1122988671.db2.gz RWXUWNPBWRIUAM-AWEZNQCLSA-N 0 1 294.414 3.515 20 0 CHADMN Clc1ccc(SCCN2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000507723130 1122990086 /nfs/dbraw/zinc/99/00/86/1122990086.db2.gz FVZOGJOCLAOJHK-HUUCEWRRSA-N 0 1 297.851 3.685 20 0 CHADMN CSc1cccc(NS(=O)(=O)c2ccsc2)c1C ZINC000334367020 1122998177 /nfs/dbraw/zinc/99/81/77/1122998177.db2.gz QUCHINVQRRLQCB-UHFFFAOYSA-N 0 1 299.442 3.579 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H]1CSc2ccccc21 ZINC000334372894 1122998751 /nfs/dbraw/zinc/99/87/51/1122998751.db2.gz SEUVJERPZFKIDT-WFASDCNBSA-N 0 1 270.401 3.888 20 0 CHADMN Cc1ncccc1CN[C@@H]1CCc2sc(Cl)cc21 ZINC000334387999 1123004419 /nfs/dbraw/zinc/00/44/19/1123004419.db2.gz PWARMMZCUJDEJD-GFCCVEGCSA-N 0 1 278.808 3.882 20 0 CHADMN CS[C@H]1CCN(Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894879604 1123007772 /nfs/dbraw/zinc/00/77/72/1123007772.db2.gz CRQSGTCLYMZIAS-JTQLQIEISA-N 0 1 298.864 3.887 20 0 CHADMN CC[C@H](F)CN(CCc1ccccc1)Cc1cccnc1 ZINC000440517906 1123009564 /nfs/dbraw/zinc/00/95/64/1123009564.db2.gz JEJVHEFUEHNOPT-SFHVURJKSA-N 0 1 286.394 3.874 20 0 CHADMN C[C@H]1CCC[C@H](Sc2nc(-c3ccccc3O)n[nH]2)C1 ZINC000519623365 1123009710 /nfs/dbraw/zinc/00/97/10/1123009710.db2.gz HKVPYDWMHQGVGQ-QWRGUYRKSA-N 0 1 289.404 3.848 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CC[C@H](C)[C@H]3C)n[nH]2)cc1C ZINC000440535602 1123013074 /nfs/dbraw/zinc/01/30/74/1123013074.db2.gz NURUQJCMZVFUAP-GXTWGEPZSA-N 0 1 297.402 3.564 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CC[C@H](C)[C@@H]3C)n[nH]2)cc1C ZINC000440535603 1123013235 /nfs/dbraw/zinc/01/32/35/1123013235.db2.gz NURUQJCMZVFUAP-JSGCOSHPSA-N 0 1 297.402 3.564 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2C(=O)c2cnc(C3CC3)[nH]2)o1 ZINC000334437244 1123014243 /nfs/dbraw/zinc/01/42/43/1123014243.db2.gz HXWJIVHIGUEFRP-AWEZNQCLSA-N 0 1 299.374 3.556 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)[C@@H]1C ZINC000519700886 1123015635 /nfs/dbraw/zinc/01/56/35/1123015635.db2.gz FDHVAYDGLRNCTH-GHMZBOCLSA-N 0 1 281.783 3.659 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2csc(C(=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC000519712013 1123020320 /nfs/dbraw/zinc/02/03/20/1123020320.db2.gz VSJASAWEVYSAPF-MRVWCRGKSA-N 0 1 293.432 3.847 20 0 CHADMN c1nc(CN2CCC[C@@H]3CCCC[C@H]32)oc1C1CC1 ZINC000334459114 1123022817 /nfs/dbraw/zinc/02/28/17/1123022817.db2.gz LCUNWMCSVDNBCZ-GXTWGEPZSA-N 0 1 260.381 3.707 20 0 CHADMN COc1ccc(CNCc2ccco2)cc1OCC(C)C ZINC000032144445 1123025900 /nfs/dbraw/zinc/02/59/00/1123025900.db2.gz VQPUCFOMZRCLET-UHFFFAOYSA-N 0 1 289.375 3.613 20 0 CHADMN CN(Cc1nccn1C(F)F)CC1CCC(C)(C)CC1 ZINC000154997888 1129094276 /nfs/dbraw/zinc/09/42/76/1129094276.db2.gz LDBSGUAXNROTFY-UHFFFAOYSA-N 0 1 285.382 3.926 20 0 CHADMN CC[C@@H](F)CN1CCC[C@H]1c1ccccc1OC ZINC000440708939 1123030864 /nfs/dbraw/zinc/03/08/64/1123030864.db2.gz BAKWRVATACLJQR-OCCSQVGLSA-N 0 1 251.345 3.580 20 0 CHADMN CC[C@@H]1[C@@H](C)CCN1Cc1occc1Br ZINC000776002436 1123035469 /nfs/dbraw/zinc/03/54/69/1123035469.db2.gz SPBLDANCLLHVEE-GXSJLCMTSA-N 0 1 272.186 3.663 20 0 CHADMN CC[C@H](F)CN[C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000440780824 1123038664 /nfs/dbraw/zinc/03/86/64/1123038664.db2.gz HZZRVOHHKSQTNX-OCCSQVGLSA-N 0 1 283.387 3.881 20 0 CHADMN CCCN1CCN(c2ccc(NC(C)C)cc2Cl)CC1 ZINC001199751173 1123038908 /nfs/dbraw/zinc/03/89/08/1123038908.db2.gz LUQMKKQXNIAENV-UHFFFAOYSA-N 0 1 295.858 3.692 20 0 CHADMN Cc1coc(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)c1 ZINC000894888320 1123040294 /nfs/dbraw/zinc/04/02/94/1123040294.db2.gz MAOHJMIMVBGZNC-QWRGUYRKSA-N 0 1 261.287 3.751 20 0 CHADMN CCCOc1ccc([C@@H](C)NC[C@H](F)CC)cc1OC ZINC000440787215 1123040748 /nfs/dbraw/zinc/04/07/48/1123040748.db2.gz VBRPTPDFVFWCJG-TZMCWYRMSA-N 0 1 283.387 3.883 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cc(C(F)(F)F)n[nH]2)c1C ZINC000440812405 1123042400 /nfs/dbraw/zinc/04/24/00/1123042400.db2.gz UKCSBPYPFJFYFV-LLVKDONJSA-N 0 1 297.324 3.896 20 0 CHADMN C[C@@H]1CN(C(=O)c2cc(C3CCCCC3)[nH]n2)[C@@H](C)[C@H]1C ZINC000416315803 1123050071 /nfs/dbraw/zinc/05/00/71/1123050071.db2.gz FPNLPCBJVYTZJB-AGIUHOORSA-N 0 1 289.423 3.574 20 0 CHADMN Cc1cccc(C)c1CN1CCO[C@@H](Cc2ccccc2)C1 ZINC001137852512 1123054504 /nfs/dbraw/zinc/05/45/04/1123054504.db2.gz DXWCDOJPQCWPOU-IBGZPJMESA-N 0 1 295.426 3.747 20 0 CHADMN CCc1nnc([C@H](C)N2C[C@@H](c3ccccc3)C(C)(C)C2)o1 ZINC000441076177 1123055137 /nfs/dbraw/zinc/05/51/37/1123055137.db2.gz XQNWYPVLDYQDOC-ZFWWWQNUSA-N 0 1 299.418 3.819 20 0 CHADMN CCC[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000157050437 1123055785 /nfs/dbraw/zinc/05/57/85/1123055785.db2.gz MEJDKKKTJRAIQZ-XQQFMLRXSA-N 0 1 296.842 3.684 20 0 CHADMN C[C@H]1CCc2c(F)cccc2[C@H]1NCc1cnsc1 ZINC001200864254 1123062009 /nfs/dbraw/zinc/06/20/09/1123062009.db2.gz UEVPMMOSAFZBHL-BONVTDFDSA-N 0 1 276.380 3.695 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(F)cc2)c(F)c1 ZINC000228599865 1123063799 /nfs/dbraw/zinc/06/37/99/1123063799.db2.gz VBCDHCNUVMNAMR-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN Clc1ccc(SCCN2CCOCC23CCC3)cc1 ZINC000441189089 1123064396 /nfs/dbraw/zinc/06/43/96/1123064396.db2.gz NBRLWMLLGVTBOB-UHFFFAOYSA-N 0 1 297.851 3.687 20 0 CHADMN C[C@H](C1CC1)N(Cc1ccn(-c2ccc(F)cc2)n1)C1CC1 ZINC000441179100 1123065169 /nfs/dbraw/zinc/06/51/69/1123065169.db2.gz PEQDOJJMHNVEKP-CYBMUJFWSA-N 0 1 299.393 3.774 20 0 CHADMN C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441236878 1123068881 /nfs/dbraw/zinc/06/88/81/1123068881.db2.gz RCRBKBUMVUWTEM-RDBSUJKOSA-N 0 1 295.373 3.774 20 0 CHADMN CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C)[C@H](C)C(C)C ZINC000441280804 1123072992 /nfs/dbraw/zinc/07/29/92/1123072992.db2.gz FDPCZTDDYURSKD-CYBMUJFWSA-N 0 1 296.480 3.978 20 0 CHADMN CCc1sc(-c2nnc(CN(C)C3CCC3)o2)cc1C ZINC000441368022 1123082850 /nfs/dbraw/zinc/08/28/50/1123082850.db2.gz JQEGUHWSNYFXBK-UHFFFAOYSA-N 0 1 291.420 3.653 20 0 CHADMN Cc1cccc(NC(=O)c2c(O)cccc2Cl)c1 ZINC000049082149 1123084343 /nfs/dbraw/zinc/08/43/43/1123084343.db2.gz DVZHRHGRLXFNRJ-UHFFFAOYSA-N 0 1 261.708 3.606 20 0 CHADMN Cc1ccc2cc(N(C(=N)N)c3ccc(F)cc3)ncc2c1 ZINC001167990129 1123087231 /nfs/dbraw/zinc/08/72/31/1123087231.db2.gz NDAMKOXMQRAORY-UHFFFAOYSA-N 0 1 294.333 3.714 20 0 CHADMN CO[C@@H]1CCC[C@H](Nc2ccc3cnccc3c2)CC1 ZINC000894968518 1123093597 /nfs/dbraw/zinc/09/35/97/1123093597.db2.gz AKGNTUQZUMPKTG-DOTOQJQBSA-N 0 1 270.376 3.994 20 0 CHADMN CC(C)[C@@H](NCCCC1CCC1)c1nc(C2CC2)no1 ZINC000660207439 1129099227 /nfs/dbraw/zinc/09/92/27/1129099227.db2.gz CXYVOYGJOQKNGV-CQSZACIVSA-N 0 1 277.412 3.814 20 0 CHADMN C[C@@H]1CCN(C/C(Br)=C/c2ccccc2)C1 ZINC001201450833 1123106723 /nfs/dbraw/zinc/10/67/23/1123106723.db2.gz LCISZLFBRDPOOS-OJLMPMFISA-N 0 1 280.209 3.764 20 0 CHADMN COCc1ccc(CN[C@H]2CCSc3ccccc32)o1 ZINC000268771959 1129099304 /nfs/dbraw/zinc/09/93/04/1129099304.db2.gz FHZONMYKSCGUJF-HNNXBMFYSA-N 0 1 289.400 3.753 20 0 CHADMN CC[C@@H](C)CN(Cc1cccnc1)Cc1cccnc1 ZINC001201511103 1123113861 /nfs/dbraw/zinc/11/38/61/1123113861.db2.gz FLJGCUVPJHTSIR-OAHLLOKOSA-N 0 1 269.392 3.525 20 0 CHADMN CCC[C@H](C)CN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001201552134 1123118729 /nfs/dbraw/zinc/11/87/29/1123118729.db2.gz AQMKMBAQDZOPGE-CABZTGNLSA-N 0 1 275.318 3.779 20 0 CHADMN Cc1cccc2nc(CNC(=O)C[C@H](C)C(C)(C)C)[nH]c21 ZINC000155253622 1129100169 /nfs/dbraw/zinc/10/01/69/1129100169.db2.gz BSXPTJPBYQNJER-LBPRGKRZSA-N 0 1 287.407 3.560 20 0 CHADMN CCc1nc(C)c(CN[C@H]2CCCc3ccccc32)o1 ZINC000291980345 1123132844 /nfs/dbraw/zinc/13/28/44/1123132844.db2.gz VJQBVPKAFJNQJJ-HNNXBMFYSA-N 0 1 270.376 3.713 20 0 CHADMN CCc1ccccc1CN(Cc1ccccn1)C1CC1 ZINC000189314199 1123136372 /nfs/dbraw/zinc/13/63/72/1123136372.db2.gz ZIYRKLTYZRFGRG-UHFFFAOYSA-N 0 1 266.388 3.809 20 0 CHADMN CCCNC(=O)CCC[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000567058693 1123137131 /nfs/dbraw/zinc/13/71/31/1123137131.db2.gz BCTBBPRMSZOUBJ-ZDUSSCGKSA-N 0 1 296.842 3.639 20 0 CHADMN CCCCN1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001201717261 1123140425 /nfs/dbraw/zinc/14/04/25/1123140425.db2.gz JBWLJYHRQUUMNO-UHFFFAOYSA-N 0 1 289.810 3.819 20 0 CHADMN Cc1cc(C)c(CN2CCn3cccc3[C@@H]2C)c(C)c1 ZINC000520471158 1123140787 /nfs/dbraw/zinc/14/07/87/1123140787.db2.gz NAEPSAHQVOEVBH-INIZCTEOSA-N 0 1 268.404 3.990 20 0 CHADMN CSCCCN1CCc2ccc(C(F)(F)F)cc2C1 ZINC001201689853 1123142520 /nfs/dbraw/zinc/14/25/20/1123142520.db2.gz JODZXTKSRUEFEN-UHFFFAOYSA-N 0 1 289.366 3.817 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H]2CCCC[C@@H]2C)no1 ZINC000162337627 1123143143 /nfs/dbraw/zinc/14/31/43/1123143143.db2.gz QPKOIGMCTFHMNT-ZFWWWQNUSA-N 0 1 285.391 3.713 20 0 CHADMN C[C@H](N[C@H]1CCc2cc(F)ccc21)c1ccncc1F ZINC000334503208 1123147524 /nfs/dbraw/zinc/14/75/24/1123147524.db2.gz LGCPWFLDJWDIFH-QFYYESIMSA-N 0 1 274.314 3.698 20 0 CHADMN Cc1ccc(Br)cc1CNCc1cncs1 ZINC000190297431 1123148324 /nfs/dbraw/zinc/14/83/24/1123148324.db2.gz LYRJVOPUPDILLS-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN CCCCCN(Cc1cccnc1)Cc1cccnc1 ZINC001201735053 1123149163 /nfs/dbraw/zinc/14/91/63/1123149163.db2.gz NWABBKSPCOJSAL-UHFFFAOYSA-N 0 1 269.392 3.669 20 0 CHADMN COc1ccnc(NCc2ccc3c(c2)CCC(C)(C)O3)c1 ZINC001201813306 1123151067 /nfs/dbraw/zinc/15/10/67/1123151067.db2.gz FOCNOJHBDKEYJT-UHFFFAOYSA-N 0 1 298.386 3.806 20 0 CHADMN CCOc1ccc(Cl)cc1CNc1cc(OC)ccn1 ZINC001201815010 1123151073 /nfs/dbraw/zinc/15/10/73/1123151073.db2.gz QUOXNIVPDNAYIY-UHFFFAOYSA-N 0 1 292.766 3.754 20 0 CHADMN CC1(C)CC[C@H]2C[C@@H](NCc3cncnc3)c3cccc1c32 ZINC000334353074 1123156796 /nfs/dbraw/zinc/15/67/96/1123156796.db2.gz HYCCVQQLMMLWHX-WMLDXEAASA-N 0 1 293.414 3.866 20 0 CHADMN CC(C)(C)Oc1ccc([C@H]2CCN(Cc3ncc[nH]3)C2)cc1 ZINC001203980266 1123163986 /nfs/dbraw/zinc/16/39/86/1123163986.db2.gz OCTLLCJDFNVBIW-HNNXBMFYSA-N 0 1 299.418 3.577 20 0 CHADMN CC(C)c1nnc(CN[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)o1 ZINC000181449506 1123165558 /nfs/dbraw/zinc/16/55/58/1123165558.db2.gz JLCLQEKGMYLJCV-MGPQQGTHSA-N 0 1 279.428 3.743 20 0 CHADMN Cc1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)o1 ZINC000182765004 1123176811 /nfs/dbraw/zinc/17/68/11/1123176811.db2.gz IPUBHQOWVXWVNX-UHFFFAOYSA-N 0 1 293.388 3.623 20 0 CHADMN Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNC1CC1 ZINC000061003406 1123178874 /nfs/dbraw/zinc/17/88/74/1123178874.db2.gz XOSHGGKKXKJBHE-UHFFFAOYSA-N 0 1 296.201 3.740 20 0 CHADMN Cc1cc(CN(Cc2ccccc2)[C@H](C)C2CC2)no1 ZINC000053064775 1123180215 /nfs/dbraw/zinc/18/02/15/1123180215.db2.gz BNTIRZJPBHCVDE-CQSZACIVSA-N 0 1 270.376 3.784 20 0 CHADMN Clc1ccc(CNC/C=C/c2ccccc2)nc1 ZINC000776254357 1123180684 /nfs/dbraw/zinc/18/06/84/1123180684.db2.gz CEAXFGCNXVCTSB-QPJJXVBHSA-N 0 1 258.752 3.538 20 0 CHADMN Cc1ccccc1NC(=O)Nc1cnccc1N1CCCC1 ZINC001202176141 1123181356 /nfs/dbraw/zinc/18/13/56/1123181356.db2.gz DEBCGTZYVJXSQB-UHFFFAOYSA-N 0 1 296.374 3.634 20 0 CHADMN O=C(Nc1cccc(F)c1)Nc1cccc(Cl)c1O ZINC001202228934 1123183947 /nfs/dbraw/zinc/18/39/47/1123183947.db2.gz DFHCMGRCGXYLGL-UHFFFAOYSA-N 0 1 280.686 3.829 20 0 CHADMN Cc1ccc2c(c1)CCN([C@H](C)c1cnc(C)nc1C)C2 ZINC000639101132 1123185118 /nfs/dbraw/zinc/18/51/18/1123185118.db2.gz XACRINDGQNCQGV-CQSZACIVSA-N 0 1 281.403 3.521 20 0 CHADMN CCc1ccc(CNc2ccc3nc[nH]c3c2)s1 ZINC001202349824 1123197888 /nfs/dbraw/zinc/19/78/88/1123197888.db2.gz IXMFSTKTZAOVTM-UHFFFAOYSA-N 0 1 257.362 3.799 20 0 CHADMN Cc1cccc(CNCc2cc3ccccc3[nH]2)c1F ZINC001202387484 1123200504 /nfs/dbraw/zinc/20/05/04/1123200504.db2.gz FPGXJDZAZUIIED-UHFFFAOYSA-N 0 1 268.335 3.905 20 0 CHADMN Cc1ccc(NC(=O)Nc2cnccc2N2CCCC2)cc1 ZINC001202424887 1123206923 /nfs/dbraw/zinc/20/69/23/1123206923.db2.gz JNXXYTMCIDNWNS-UHFFFAOYSA-N 0 1 296.374 3.634 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CCC2(C1)CCOCC2 ZINC000334519912 1123207742 /nfs/dbraw/zinc/20/77/42/1123207742.db2.gz UPZSFUQWQBQKSU-CYBMUJFWSA-N 0 1 292.423 3.536 20 0 CHADMN COc1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c2ccccc12 ZINC001203991424 1123210023 /nfs/dbraw/zinc/21/00/23/1123210023.db2.gz IIDOFMXYFLALAO-RRQGHBQHSA-N 0 1 285.362 3.638 20 0 CHADMN Cc1cccc(CNCc2c(F)cccc2-n2cccn2)c1 ZINC001202427627 1123210035 /nfs/dbraw/zinc/21/00/35/1123210035.db2.gz RFDOXLAKRYXKOW-UHFFFAOYSA-N 0 1 295.361 3.610 20 0 CHADMN CN(Cc1ccc(F)cc1Cl)C[C@H](O)c1ccccc1 ZINC000107063143 1123216635 /nfs/dbraw/zinc/21/66/35/1123216635.db2.gz XNSMTYKGTNAXFS-INIZCTEOSA-N 0 1 293.769 3.645 20 0 CHADMN C[C@@H](NCc1c(F)cc(F)c(F)c1F)C1(C)CC1 ZINC000430735182 1123220851 /nfs/dbraw/zinc/22/08/51/1123220851.db2.gz PGPNBMRRJLHZCW-SSDOTTSWSA-N 0 1 261.262 3.521 20 0 CHADMN Cc1ccc(N2CCN([C@H](C)c3ccccn3)CC2)cc1C ZINC000071711698 1129107035 /nfs/dbraw/zinc/10/70/35/1129107035.db2.gz GBXPBAQBPYAXAB-QGZVFWFLSA-N 0 1 295.430 3.582 20 0 CHADMN Clc1ccc(-c2nnc(CN3CCCCCC3)o2)cc1 ZINC000030824829 1123225574 /nfs/dbraw/zinc/22/55/74/1123225574.db2.gz APBTZFVVOGAOCV-UHFFFAOYSA-N 0 1 291.782 3.766 20 0 CHADMN CC(C)c1noc(CN[C@H](C)[C@H](C)C2CCCCC2)n1 ZINC000185497382 1123228313 /nfs/dbraw/zinc/22/83/13/1123228313.db2.gz STVKHEJVBOFGNP-QWHCGFSZSA-N 0 1 279.428 3.888 20 0 CHADMN c1n[nH]nc1SCCCOc1ccc2ccccc2c1 ZINC000155908875 1129107649 /nfs/dbraw/zinc/10/76/49/1129107649.db2.gz VTTMKICGRNWBLU-UHFFFAOYSA-N 0 1 285.372 3.519 20 0 CHADMN CC(C)(C)c1noc(-c2ccc3[nH]c(C(F)F)nc3c2)n1 ZINC000074122345 1123231987 /nfs/dbraw/zinc/23/19/87/1123231987.db2.gz KZGCKLNZCRFIOO-UHFFFAOYSA-N 0 1 292.289 3.848 20 0 CHADMN Cc1nc(C(C)C)ccc1CN(C)C[C@@H]1CCCCO1 ZINC000338927159 1123232190 /nfs/dbraw/zinc/23/21/90/1123232190.db2.gz VPAOYDYCUAVGNV-INIZCTEOSA-N 0 1 276.424 3.514 20 0 CHADMN CCN(c1ccc(NCc2cncc(OC)c2)cc1)C(C)C ZINC000850044247 1123238771 /nfs/dbraw/zinc/23/87/71/1123238771.db2.gz HAXPGSDXURLNLK-UHFFFAOYSA-N 0 1 299.418 3.937 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccncn1)CCC2 ZINC000334521980 1123241279 /nfs/dbraw/zinc/24/12/79/1123241279.db2.gz IRQXDGCZAUORSU-DYVFJYSZSA-N 0 1 267.376 3.513 20 0 CHADMN Cc1cc(-c2noc([C@H](C)N(C)CC(C)C)n2)ccc1F ZINC000620937681 1129108326 /nfs/dbraw/zinc/10/83/26/1129108326.db2.gz HEOMEOUXFWTMDW-LBPRGKRZSA-N 0 1 291.370 3.833 20 0 CHADMN C[C@@H](N[C@@H]1CCC(C)(C)c2ccccc21)c1ccncn1 ZINC000334527617 1123242621 /nfs/dbraw/zinc/24/26/21/1123242621.db2.gz INUOFJYEEUFEPA-CXAGYDPISA-N 0 1 281.403 3.940 20 0 CHADMN Cn1cccc1C[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000507873624 1123243447 /nfs/dbraw/zinc/24/34/47/1123243447.db2.gz HLQNQAFLVLYBBX-CPFIRTDXSA-N 0 1 266.388 3.703 20 0 CHADMN Cc1ccncc1CN[C@H]1CCCOc2ccc(F)cc21 ZINC000334537144 1123246972 /nfs/dbraw/zinc/24/69/72/1123246972.db2.gz RMTBEPFXXHTQAB-INIZCTEOSA-N 0 1 286.350 3.533 20 0 CHADMN CC(C)[C@@H](NCc1ccc(F)nc1)c1ccccc1F ZINC000850361777 1123256481 /nfs/dbraw/zinc/25/64/81/1123256481.db2.gz DPJGHRMQISIHFI-MRXNPFEDSA-N 0 1 276.330 3.847 20 0 CHADMN CC(C)Oc1cccc(CN[C@@H]2C[C@H](O)c3ccccc32)c1 ZINC000850371472 1123258604 /nfs/dbraw/zinc/25/86/04/1123258604.db2.gz KCMCMINISWCKQP-MOPGFXCFSA-N 0 1 297.398 3.742 20 0 CHADMN Cc1ccc(CN[C@@H]2C[C@@H](O)c3ccccc32)cc1Cl ZINC000850373940 1123259201 /nfs/dbraw/zinc/25/92/01/1123259201.db2.gz JYVKGDRNUHEUIO-IAGOWNOFSA-N 0 1 287.790 3.916 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2)[C@H](O)C(C)C)c(C)o1 ZINC000850394714 1123261995 /nfs/dbraw/zinc/26/19/95/1123261995.db2.gz AICDFKGFTUBFDG-QZTJIDSGSA-N 0 1 287.403 3.744 20 0 CHADMN Cc1cnc(Cl)c(C[N@H+]2CCC23CCCC3)c1 ZINC000895137002 1123263056 /nfs/dbraw/zinc/26/30/56/1123263056.db2.gz FSWRSMVKVJWHTO-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN Cc1cnc(Cl)c(CN2CCC23CCCC3)c1 ZINC000895137002 1123263060 /nfs/dbraw/zinc/26/30/60/1123263060.db2.gz FSWRSMVKVJWHTO-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN C[C@@H](N[C@@H](C)CSCCF)c1c(F)cccc1F ZINC000850426550 1123265356 /nfs/dbraw/zinc/26/53/56/1123265356.db2.gz WHRVLOSHKMTKBZ-VHSXEESVSA-N 0 1 277.355 3.707 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1ccnc(Cl)c1 ZINC000850526979 1123282265 /nfs/dbraw/zinc/28/22/65/1123282265.db2.gz DJXCQZXCRXTZGI-COLVAYQJSA-N 0 1 288.778 3.564 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1cccc(F)c1 ZINC000850528047 1123282564 /nfs/dbraw/zinc/28/25/64/1123282564.db2.gz DMZYOJSIISZFPE-MZPVMMEZSA-N 0 1 271.335 3.655 20 0 CHADMN CC(C)c1nc(CN2CC[C@H](c3ccccc3)[C@@H](C)C2)n[nH]1 ZINC000428222865 1123283055 /nfs/dbraw/zinc/28/30/55/1123283055.db2.gz ABCMAOCPTJQTPC-HOCLYGCPSA-N 0 1 298.434 3.554 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H]1C[C@@H](O)c2ccccc21 ZINC000850528473 1123283106 /nfs/dbraw/zinc/28/31/06/1123283106.db2.gz IAPMWYIYVKCMBY-AFAVFJNCSA-N 0 1 283.371 3.524 20 0 CHADMN C[C@H](NCCC(C)(C)F)c1nc(Br)cs1 ZINC000850530748 1123285309 /nfs/dbraw/zinc/28/53/09/1123285309.db2.gz CFTBVMOFHBATFE-ZETCQYMHSA-N 0 1 295.221 3.694 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(Cl)nc1 ZINC000850544033 1123289360 /nfs/dbraw/zinc/28/93/60/1123289360.db2.gz SRLOYABKBUXOCG-MEBBXXQBSA-N 0 1 288.778 3.779 20 0 CHADMN CCCCCC[N@H+](Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000071737698 1129111913 /nfs/dbraw/zinc/11/19/13/1129111913.db2.gz DVZBWLIFJZHNKZ-OAHLLOKOSA-N 0 1 277.408 3.790 20 0 CHADMN CCCc1cc(C(=O)N2CCC[C@H]2c2ccc(C)cc2)n[nH]1 ZINC000248118565 1123293218 /nfs/dbraw/zinc/29/32/18/1123293218.db2.gz WJLSUSZJCQHBBR-KRWDZBQOSA-N 0 1 297.402 3.648 20 0 CHADMN CC(C)(C)C(F)(F)CN[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000850572688 1123294970 /nfs/dbraw/zinc/29/49/70/1123294970.db2.gz NTGLJWQEMITUNP-VWYCJHECSA-N 0 1 295.464 3.637 20 0 CHADMN Cc1ccccc1C1CCN(Cc2n[nH]c(C(C)C)n2)CC1 ZINC000428241018 1123298624 /nfs/dbraw/zinc/29/86/24/1123298624.db2.gz JRFHEKVOBGNDNV-UHFFFAOYSA-N 0 1 298.434 3.616 20 0 CHADMN COc1ccc(CN[C@@H](CCC(C)C)c2ccoc2)cn1 ZINC000428247850 1123311684 /nfs/dbraw/zinc/31/16/84/1123311684.db2.gz OQHYPTQFBLXHEM-INIZCTEOSA-N 0 1 288.391 3.950 20 0 CHADMN Cc1cc(CN[C@@H]2CC(C)(C)Cc3occc32)ccn1 ZINC000335164911 1123314641 /nfs/dbraw/zinc/31/46/41/1123314641.db2.gz WCHAONHPHBRFCC-OAHLLOKOSA-N 0 1 270.376 3.786 20 0 CHADMN Cc1ncccc1CN1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000335165246 1123315307 /nfs/dbraw/zinc/31/53/07/1123315307.db2.gz SPTKZJFHVKUYFX-DGCLKSJQSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1n[nH]cc1C1CCN(Cc2ccccc2Cl)CC1 ZINC000366943578 1123315790 /nfs/dbraw/zinc/31/57/90/1123315790.db2.gz LQXURROVDNPXAY-UHFFFAOYSA-N 0 1 289.810 3.751 20 0 CHADMN Cc1cc(CN[C@H]2CCCOc3cc(F)ccc32)ccn1 ZINC000335163558 1123317265 /nfs/dbraw/zinc/31/72/65/1123317265.db2.gz JLJLZCGZDCZJCD-INIZCTEOSA-N 0 1 286.350 3.533 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccnc(C)c1)CCCO2 ZINC000335163500 1123317288 /nfs/dbraw/zinc/31/72/88/1123317288.db2.gz HTGYOWAEMSXBTR-QGZVFWFLSA-N 0 1 282.387 3.702 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)N1CC(C)(C)C[C@@H]1C ZINC000335188479 1123320709 /nfs/dbraw/zinc/32/07/09/1123320709.db2.gz IUGUGBSSHGOLJO-WDEREUQCSA-N 0 1 291.420 3.980 20 0 CHADMN C[C@@H](N[C@@H]1C[C@@H](C)c2ccccc21)c1ccccn1 ZINC000271485362 1129114095 /nfs/dbraw/zinc/11/40/95/1129114095.db2.gz OCGLMXJZGIEEIO-PBFPGSCMSA-N 0 1 252.361 3.981 20 0 CHADMN CN(Cc1csc(N(C)C2CC2)n1)C1CCCCC1 ZINC000156574076 1129114176 /nfs/dbraw/zinc/11/41/76/1129114176.db2.gz DXARHIMKXDVNQD-UHFFFAOYSA-N 0 1 279.453 3.506 20 0 CHADMN Cc1nc(CN2CCC[C@H](c3ccncc3)C2)c(C)s1 ZINC000335237927 1123326798 /nfs/dbraw/zinc/32/67/98/1123326798.db2.gz MMYVEWWDPJWFSB-HNNXBMFYSA-N 0 1 287.432 3.535 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@@H](C)c1cccc(O)c1 ZINC000442866800 1123343994 /nfs/dbraw/zinc/34/39/94/1123343994.db2.gz MROPLFAEAXFQQK-QWHCGFSZSA-N 0 1 270.376 3.761 20 0 CHADMN CC[C@@]1(C)CN([C@@H](C)c2ccc(OC(F)F)cc2)CCO1 ZINC000442869501 1123344403 /nfs/dbraw/zinc/34/44/03/1123344403.db2.gz BJISAHNYQVNALF-LRDDRELGSA-N 0 1 299.361 3.850 20 0 CHADMN COc1ccc(CCC[N@@H+](C)Cc2nc(C)cs2)cc1 ZINC000173200667 1123353620 /nfs/dbraw/zinc/35/36/20/1123353620.db2.gz MEANMUPSELQCFM-UHFFFAOYSA-N 0 1 290.432 3.525 20 0 CHADMN COc1ccc(CCCN(C)Cc2nc(C)cs2)cc1 ZINC000173200667 1123353623 /nfs/dbraw/zinc/35/36/23/1123353623.db2.gz MEANMUPSELQCFM-UHFFFAOYSA-N 0 1 290.432 3.525 20 0 CHADMN CC(C)c1nnc(CN[C@@H]2CC[C@H]2C(C)(C)C)s1 ZINC000348073293 1123357215 /nfs/dbraw/zinc/35/72/15/1123357215.db2.gz KZARTRPRRXTCAW-GHMZBOCLSA-N 0 1 267.442 3.576 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C2(C)CCC(F)(F)CC2)n1 ZINC000634555473 1129117070 /nfs/dbraw/zinc/11/70/70/1129117070.db2.gz LIKAPSDNUZVWNB-SNVBAGLBSA-N 0 1 287.354 3.583 20 0 CHADMN CCCCCC[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000851707792 1123372643 /nfs/dbraw/zinc/37/26/43/1123372643.db2.gz KLRCRURILVQMNY-JKSUJKDBSA-N 0 1 275.392 3.857 20 0 CHADMN CC(C)c1ccc(CN(C)Cc2cccc(F)n2)cc1 ZINC000851722694 1123376355 /nfs/dbraw/zinc/37/63/55/1123376355.db2.gz OYUUTVFJCNTQTO-UHFFFAOYSA-N 0 1 272.367 3.976 20 0 CHADMN CCCN(Cc1ccc(OC)cc1)Cc1cccc(F)n1 ZINC000851740431 1123377291 /nfs/dbraw/zinc/37/72/91/1123377291.db2.gz XIAWLNWXJCYUSO-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN CC1(C)OC[C@H](CCN2CC[C@@H]2c2ccc(Cl)cc2)O1 ZINC000851799788 1123382621 /nfs/dbraw/zinc/38/26/21/1123382621.db2.gz FHBOTQYHKUCSIS-LSDHHAIUSA-N 0 1 295.810 3.628 20 0 CHADMN CC1=C(C)C[N@@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000335699606 1123397057 /nfs/dbraw/zinc/39/70/57/1123397057.db2.gz JSJNTPKMMUCASJ-AWEZNQCLSA-N 0 1 283.375 3.840 20 0 CHADMN CC1=C(C)CN([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000335699606 1123397063 /nfs/dbraw/zinc/39/70/63/1123397063.db2.gz JSJNTPKMMUCASJ-AWEZNQCLSA-N 0 1 283.375 3.840 20 0 CHADMN Cc1ccc(CN[C@H]2CCCc3occc32)c(F)c1 ZINC000631040052 1123408227 /nfs/dbraw/zinc/40/82/27/1123408227.db2.gz OIBHUQZWROGWGO-HNNXBMFYSA-N 0 1 259.324 3.894 20 0 CHADMN Cc1nc(CN2CCC[C@@H](CCF)C2)nc2ccccc12 ZINC000852533677 1123408347 /nfs/dbraw/zinc/40/83/47/1123408347.db2.gz WXBAXCBAIDBEHS-AWEZNQCLSA-N 0 1 287.382 3.510 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@H]([C@H]3CCCCO3)C2)o1 ZINC000852596558 1123409830 /nfs/dbraw/zinc/40/98/30/1123409830.db2.gz MKNPARFTJFMTMT-LSDHHAIUSA-N 0 1 292.423 3.579 20 0 CHADMN Clc1cc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)ccn1 ZINC000852594911 1123409991 /nfs/dbraw/zinc/40/99/91/1123409991.db2.gz DVXVFCZZDIRUOZ-GJZGRUSLSA-N 0 1 294.826 3.516 20 0 CHADMN Clc1cc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)ccn1 ZINC000852594912 1123410243 /nfs/dbraw/zinc/41/02/43/1123410243.db2.gz DVXVFCZZDIRUOZ-HUUCEWRRSA-N 0 1 294.826 3.516 20 0 CHADMN Clc1ccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)cn1 ZINC000852595180 1123410294 /nfs/dbraw/zinc/41/02/94/1123410294.db2.gz GQZRGCWKRJSILT-CABCVRRESA-N 0 1 294.826 3.516 20 0 CHADMN Clc1ncccc1CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000852594933 1123410302 /nfs/dbraw/zinc/41/03/02/1123410302.db2.gz FARXGONPRYASLI-DZGCQCFKSA-N 0 1 294.826 3.516 20 0 CHADMN CCC(C)(C)[C@H]1CCCN1Cc1nc(C(C)(C)C)no1 ZINC000156957674 1129120077 /nfs/dbraw/zinc/12/00/77/1129120077.db2.gz YKACBRWRAJBBEN-GFCCVEGCSA-N 0 1 279.428 3.768 20 0 CHADMN CC12CC(C1)CN2Cc1cc2ccccc2nc1Cl ZINC000852785327 1123415983 /nfs/dbraw/zinc/41/59/83/1123415983.db2.gz GTCKKZJGZLAPPF-UHFFFAOYSA-N 0 1 272.779 3.873 20 0 CHADMN CC(C)c1cccc(CNc2nccn2C2CC2)c1 ZINC000853029088 1123420809 /nfs/dbraw/zinc/42/08/09/1123420809.db2.gz RGYMOROEVFRIEV-UHFFFAOYSA-N 0 1 255.365 3.954 20 0 CHADMN C[C@H](Sc1c[nH]nn1)c1cc(Cl)ccc1Cl ZINC000443515524 1123421260 /nfs/dbraw/zinc/42/12/60/1123421260.db2.gz BIAVFYUNLBIZIK-LURJTMIESA-N 0 1 274.176 3.965 20 0 CHADMN CC1(C)C[C@]1(NCc1cnn2ccccc12)c1ccccc1 ZINC000853091214 1123423768 /nfs/dbraw/zinc/42/37/68/1123423768.db2.gz ASLJBGJNMNZUCI-IBGZPJMESA-N 0 1 291.398 3.749 20 0 CHADMN Cc1cc(CNC2(c3ccc(C)cc3)CCC2)sn1 ZINC000639288214 1123427783 /nfs/dbraw/zinc/42/77/83/1123427783.db2.gz PXPNWCNJBGXJGZ-UHFFFAOYSA-N 0 1 272.417 3.929 20 0 CHADMN O=C1[C@H]2CCCCCCC2=NN1c1ccnc2ccccc21 ZINC000634602813 1129121123 /nfs/dbraw/zinc/12/11/23/1129121123.db2.gz FLFGNXKBJUCWOB-AWEZNQCLSA-N 0 1 293.370 3.908 20 0 CHADMN O=c1c2c([nH]n1-c1ccnc3ccccc31)CCCCCC2 ZINC000634602813 1129121126 /nfs/dbraw/zinc/12/11/26/1129121126.db2.gz FLFGNXKBJUCWOB-AWEZNQCLSA-N 0 1 293.370 3.908 20 0 CHADMN Cc1[nH]nc(CN(Cc2ccccc2F)CC2CC2)c1C ZINC000895278301 1123437956 /nfs/dbraw/zinc/43/79/56/1123437956.db2.gz IOQNDJTUECKNME-UHFFFAOYSA-N 0 1 287.382 3.578 20 0 CHADMN CC(C)(CCOc1ccccc1-c1nnc[nH]1)C1CC1 ZINC000655669674 1123443106 /nfs/dbraw/zinc/44/31/06/1123443106.db2.gz IHGFUOZGKOZBCS-UHFFFAOYSA-N 0 1 271.364 3.677 20 0 CHADMN Clc1cnn(CN(C2CC2)C2CCCC2)c1C1CC1 ZINC000853489314 1123443139 /nfs/dbraw/zinc/44/31/39/1123443139.db2.gz ODCOMHAUNZUCTH-UHFFFAOYSA-N 0 1 279.815 3.778 20 0 CHADMN CC[C@@H]1CCCN1Cc1coc(-c2c(F)cccc2F)n1 ZINC000443614052 1123445038 /nfs/dbraw/zinc/44/50/38/1123445038.db2.gz KOXVVMUZMDUUQE-GFCCVEGCSA-N 0 1 292.329 3.994 20 0 CHADMN Cc1occc1CN[C@H]1CCCOc2ccc(F)cc21 ZINC000335843959 1123445640 /nfs/dbraw/zinc/44/56/40/1123445640.db2.gz VYGUGUHMQZIYHH-HNNXBMFYSA-N 0 1 275.323 3.731 20 0 CHADMN c1ccc(C[C@H]2CCN2Cc2nc3c(s2)CCCC3)cc1 ZINC000776687650 1123446822 /nfs/dbraw/zinc/44/68/22/1123446822.db2.gz HUFMXGOOKYFCTN-OAHLLOKOSA-N 0 1 298.455 3.839 20 0 CHADMN Cc1cc(CNCCCOc2ccc3ccccc3c2)on1 ZINC000631091195 1123448481 /nfs/dbraw/zinc/44/84/81/1123448481.db2.gz OCOPFKVTOFIEIH-UHFFFAOYSA-N 0 1 296.370 3.695 20 0 CHADMN CCC1=NN(Cc2c(OC)ccc3ccccc32)C(=O)[C@@H]1C ZINC000634631408 1129122649 /nfs/dbraw/zinc/12/26/49/1129122649.db2.gz TYFOAFRBVBVWGC-GFCCVEGCSA-N 0 1 296.370 3.593 20 0 CHADMN CCc1[nH]n(Cc2c(OC)ccc3ccccc32)c(=O)c1C ZINC000634631408 1129122651 /nfs/dbraw/zinc/12/26/51/1129122651.db2.gz TYFOAFRBVBVWGC-GFCCVEGCSA-N 0 1 296.370 3.593 20 0 CHADMN CCCCc1cc(=O)n([C@@H]2CCc3c2cccc3F)[nH]1 ZINC000634632619 1129122712 /nfs/dbraw/zinc/12/27/12/1129122712.db2.gz VMAFILMXAGLMKY-OAHLLOKOSA-N 0 1 274.339 3.592 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC[C@H]2c2cccs2)cn1 ZINC000335876855 1123453372 /nfs/dbraw/zinc/45/33/72/1123453372.db2.gz ZVBJQOJIMSDXAU-OCCSQVGLSA-N 0 1 273.405 3.745 20 0 CHADMN CCc1ccc(C)nc1NCc1nc(C)c(C)s1 ZINC000895328648 1123456166 /nfs/dbraw/zinc/45/61/66/1123456166.db2.gz AQVVEXLKLPZXQZ-UHFFFAOYSA-N 0 1 261.394 3.638 20 0 CHADMN CC(C)CCc1noc(CN2CC[C@@H](C)C[C@@H](C)C2)n1 ZINC000443637828 1123456524 /nfs/dbraw/zinc/45/65/24/1123456524.db2.gz HFSWXSWDSCHSJL-ZIAGYGMSSA-N 0 1 279.428 3.526 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCOC[C@H]1C1CC1 ZINC000443642070 1123457042 /nfs/dbraw/zinc/45/70/42/1123457042.db2.gz RAGNGABPGCTKNW-HNNXBMFYSA-N 0 1 299.336 3.625 20 0 CHADMN Cc1cnc([C@H](C)N2CCC[C@H]2c2ccsc2)cn1 ZINC000335891876 1123460543 /nfs/dbraw/zinc/46/05/43/1123460543.db2.gz COESTUSECMOJMM-WFASDCNBSA-N 0 1 273.405 3.745 20 0 CHADMN Cc1cc(CN2CC3(CC3)C2)ccc1C(F)(F)F ZINC000414453745 1129123237 /nfs/dbraw/zinc/12/32/37/1129123237.db2.gz DOUJREBVUVBHFH-UHFFFAOYSA-N 0 1 255.283 3.610 20 0 CHADMN C[C@@H]1CCN[C@H](c2nc(-c3cc(F)ccc3Cl)no2)C1 ZINC001211880295 1123465213 /nfs/dbraw/zinc/46/52/13/1123465213.db2.gz CODPZDROAUAVKN-PELKAZGASA-N 0 1 295.745 3.590 20 0 CHADMN Cc1ccc(Cl)c(-c2noc([C@@H]3C[C@H](C)CCN3)n2)c1 ZINC001211880263 1123465384 /nfs/dbraw/zinc/46/53/84/1123465384.db2.gz AIXIACBPQMQISH-MFKMUULPSA-N 0 1 291.782 3.759 20 0 CHADMN CC(C)(C)SCCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000854038408 1123466389 /nfs/dbraw/zinc/46/63/89/1123466389.db2.gz AEMWMHHKJJWEDA-AWEZNQCLSA-N 0 1 278.465 3.996 20 0 CHADMN Cc1cccc2nc(CN(C)[C@H]3CCc4ccccc43)cn21 ZINC000051650301 1123466498 /nfs/dbraw/zinc/46/64/98/1123466498.db2.gz XMDZDBXFKYPYOU-SFHVURJKSA-N 0 1 291.398 3.762 20 0 CHADMN CC(C)(C)SCCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000854038410 1123466842 /nfs/dbraw/zinc/46/68/42/1123466842.db2.gz AEMWMHHKJJWEDA-CQSZACIVSA-N 0 1 278.465 3.996 20 0 CHADMN C[C@@H]1CCN[C@H](c2nc(-c3cc(F)cc(Cl)c3)no2)C1 ZINC001211880651 1123467617 /nfs/dbraw/zinc/46/76/17/1123467617.db2.gz NCKXWYIDBDMVKO-PELKAZGASA-N 0 1 295.745 3.590 20 0 CHADMN CC(C)CSCCCN1CCn2cccc2[C@H]1C ZINC000443676929 1123469511 /nfs/dbraw/zinc/46/95/11/1123469511.db2.gz XKAXVKKTAMTOJM-CQSZACIVSA-N 0 1 266.454 3.644 20 0 CHADMN CC[C@@H](NC)c1nc(-c2ccc(O[C@@H](C)CC)cc2)no1 ZINC000854141612 1123470833 /nfs/dbraw/zinc/47/08/33/1123470833.db2.gz IDCDNGPYRRRVJO-SMDDNHRTSA-N 0 1 289.379 3.584 20 0 CHADMN CC(C)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000854154558 1123471172 /nfs/dbraw/zinc/47/11/72/1123471172.db2.gz ZMDIDEORCFWXKY-UHFFFAOYSA-N 0 1 273.380 3.532 20 0 CHADMN CS[C@@H](C)C(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000111989346 1123472873 /nfs/dbraw/zinc/47/28/73/1123472873.db2.gz REHBXGPEQCKXBY-SFYZADRCSA-N 0 1 298.795 3.572 20 0 CHADMN CSc1ccc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)o1 ZINC000895389680 1123474298 /nfs/dbraw/zinc/47/42/98/1123474298.db2.gz PELATGSKKPBRRX-UWVGGRQHSA-N 0 1 275.364 3.725 20 0 CHADMN Oc1ccc2c(c1)[C@@H](NCc1cc(O)cc(Cl)c1)CC2 ZINC000895399083 1123475583 /nfs/dbraw/zinc/47/55/83/1123475583.db2.gz XMYFDOZKUNYMLA-INIZCTEOSA-N 0 1 289.762 3.528 20 0 CHADMN CN(CCc1ccccc1)Cc1cc(-c2ccco2)on1 ZINC000051998563 1123475742 /nfs/dbraw/zinc/47/57/42/1123475742.db2.gz PFUBWTRRKXLFMO-UHFFFAOYSA-N 0 1 282.343 3.609 20 0 CHADMN CCOC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000113936927 1123476463 /nfs/dbraw/zinc/47/64/63/1123476463.db2.gz ISTSKCOICVIERV-CQSZACIVSA-N 0 1 267.800 3.589 20 0 CHADMN Cc1cccc(C2=CCN([C@@H](C)c3cnc(C)cn3)CC2)c1 ZINC000428290748 1123477843 /nfs/dbraw/zinc/47/78/43/1123477843.db2.gz NXLZJIQKTBRYAG-INIZCTEOSA-N 0 1 293.414 3.944 20 0 CHADMN COCCN(Cc1cccs1)Cc1cccc(F)c1 ZINC000053099756 1123479444 /nfs/dbraw/zinc/47/94/44/1123479444.db2.gz CQZUDBNNPAYIBT-UHFFFAOYSA-N 0 1 279.380 3.536 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CCC[C@@H]1c1ccncc1 ZINC000428289958 1123483091 /nfs/dbraw/zinc/48/30/91/1123483091.db2.gz VTXKTMJBGTWBSA-OAHLLOKOSA-N 0 1 285.391 3.839 20 0 CHADMN Cc1ccc([C@@H](C)N(C)C(=O)c2cc(C(C)C)[nH]n2)cc1 ZINC000052512626 1123484032 /nfs/dbraw/zinc/48/40/32/1123484032.db2.gz VMSKZUZPCJSGQJ-CYBMUJFWSA-N 0 1 285.391 3.675 20 0 CHADMN FC[C@@H]1CCCN(Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000895545326 1123491546 /nfs/dbraw/zinc/49/15/46/1123491546.db2.gz SFZPILRRLHBFQN-NSHDSACASA-N 0 1 294.320 3.695 20 0 CHADMN CCC[C@@H](C(=O)NOC1CCC1)c1ccc(Cl)cc1 ZINC000854753049 1123495255 /nfs/dbraw/zinc/49/52/55/1123495255.db2.gz QIVDINDTWCTAPP-CQSZACIVSA-N 0 1 281.783 3.824 20 0 CHADMN C[C@@H](c1cccc2ccccc21)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000398936932 1123496774 /nfs/dbraw/zinc/49/67/74/1123496774.db2.gz UXTUGORXDMJYOK-YCPHGPKFSA-N 0 1 297.398 3.943 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(OC)c(C)c2)nc1 ZINC000338965033 1123498571 /nfs/dbraw/zinc/49/85/71/1123498571.db2.gz FWHFBISKXUHPDQ-UHFFFAOYSA-N 0 1 284.403 3.593 20 0 CHADMN CCn1cc(CN[C@H]2CCc3ccc(Cl)cc32)c(C)n1 ZINC000895666635 1123504187 /nfs/dbraw/zinc/50/41/87/1123504187.db2.gz VFNGXDRNYQTBBD-INIZCTEOSA-N 0 1 289.810 3.642 20 0 CHADMN CC(C)CC[C@H]1CC[C@H](NCc2nc(C(F)F)no2)C1 ZINC000895724477 1123508125 /nfs/dbraw/zinc/50/81/25/1123508125.db2.gz GIJRBHIWHMMPKJ-QWRGUYRKSA-N 0 1 287.354 3.702 20 0 CHADMN Cc1csc([C@@H](C)NCc2cccc3ncccc23)n1 ZINC000634687313 1129126118 /nfs/dbraw/zinc/12/61/18/1129126118.db2.gz GHRZMOVKRDKCFB-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN C[C@@H](N[C@@H](C)Cc1ccccc1C(F)(F)F)c1ncco1 ZINC000895767500 1123512509 /nfs/dbraw/zinc/51/25/09/1123512509.db2.gz ZJHPLJCVQWCTKS-WDEREUQCSA-N 0 1 298.308 3.975 20 0 CHADMN CCCCC[C@@H](C(=O)O[C@@H](C)c1n[nH]c(C)n1)C(C)C ZINC000840284819 1123516836 /nfs/dbraw/zinc/51/68/36/1123516836.db2.gz NCRFMILUDWPSRV-WCQYABFASA-N 0 1 281.400 3.570 20 0 CHADMN C[C@@H](N(C)Cc1csc(C2CC2)n1)C(C)(C)C ZINC000536205034 1123518753 /nfs/dbraw/zinc/51/87/53/1123518753.db2.gz PCZYFZOEISAXTB-SNVBAGLBSA-N 0 1 252.427 3.887 20 0 CHADMN Cc1nc(C(C)C)oc1CN[C@@H](C)c1ccccc1 ZINC000428294775 1123519854 /nfs/dbraw/zinc/51/98/54/1123519854.db2.gz HOMATTASCMECMT-LBPRGKRZSA-N 0 1 258.365 3.957 20 0 CHADMN c1csc([C@@H]2CCCN2Cc2cnc3ccccn23)c1 ZINC000157405930 1129127387 /nfs/dbraw/zinc/12/73/87/1129127387.db2.gz UILHQNJLUGTCSC-AWEZNQCLSA-N 0 1 283.400 3.733 20 0 CHADMN C[C@H](C(=O)Nc1cc(F)cc(Cl)c1O)c1ccccc1 ZINC000474445714 1123531431 /nfs/dbraw/zinc/53/14/31/1123531431.db2.gz NDZUKNVEIQMICZ-VIFPVBQESA-N 0 1 293.725 3.927 20 0 CHADMN CCc1cccc(F)c1CNCc1cccc(C)c1 ZINC000474464462 1123534667 /nfs/dbraw/zinc/53/46/67/1123534667.db2.gz PGCNZIGIZDYUII-UHFFFAOYSA-N 0 1 257.352 3.986 20 0 CHADMN O[C@H]1CCN(Cc2ccc(F)cc2)[C@H](c2ccccc2)C1 ZINC000639367547 1123541828 /nfs/dbraw/zinc/54/18/28/1123541828.db2.gz SDNBLSBEDWXRMU-ROUUACIJSA-N 0 1 285.362 3.524 20 0 CHADMN CCC[C@@H](Sc1nc2ccc(C)cc2[nH]1)C(=O)OCC ZINC000115895787 1123544223 /nfs/dbraw/zinc/54/42/23/1123544223.db2.gz BJIOKMJUPDGIIB-CYBMUJFWSA-N 0 1 292.404 3.695 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)Cc1cnc2ccccn12 ZINC000157494887 1129129082 /nfs/dbraw/zinc/12/90/82/1129129082.db2.gz PVMFOYALRWWUPV-CYBMUJFWSA-N 0 1 283.350 3.666 20 0 CHADMN Clc1cncc(CN2CC[C@H]2Cc2ccccc2)c1 ZINC000856728632 1123565499 /nfs/dbraw/zinc/56/54/99/1123565499.db2.gz XASYEQZEVPEPKF-INIZCTEOSA-N 0 1 272.779 3.552 20 0 CHADMN C[C@@H]1N(Cc2ccc(F)c3ccccc23)CCOC1(C)C ZINC001204776497 1123594480 /nfs/dbraw/zinc/59/44/80/1123594480.db2.gz OMHCCDSZBKDOJO-ZDUSSCGKSA-N 0 1 287.378 3.978 20 0 CHADMN CCc1nc(CN[C@@H](C)c2oc3ccccc3c2CC)n[nH]1 ZINC000274596517 1129132100 /nfs/dbraw/zinc/13/21/00/1129132100.db2.gz JLXLOSMQUCQYNS-NSHDSACASA-N 0 1 298.390 3.527 20 0 CHADMN CC(C)n1cccc1C(=O)Nc1cccc(Cl)c1O ZINC000179299644 1123601791 /nfs/dbraw/zinc/60/17/91/1123601791.db2.gz VDKBBOPGRXHAPI-UHFFFAOYSA-N 0 1 278.739 3.680 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)N(C)c1ccc(C(C)C)cc1 ZINC000857470014 1123601851 /nfs/dbraw/zinc/60/18/51/1123601851.db2.gz ATKBMFODVMFYOZ-UHFFFAOYSA-N 0 1 285.391 3.933 20 0 CHADMN CCON(CC1CCCCC1)C(=O)c1c(O)cccc1F ZINC000857532161 1123605801 /nfs/dbraw/zinc/60/58/01/1123605801.db2.gz IXNLKKNLDZBQQC-UHFFFAOYSA-N 0 1 295.354 3.505 20 0 CHADMN CCOc1cncc(CN(Cc2ccccn2)CC(C)C)c1 ZINC000896660683 1123609518 /nfs/dbraw/zinc/60/95/18/1123609518.db2.gz BRJKWXLVLJRZDT-UHFFFAOYSA-N 0 1 299.418 3.534 20 0 CHADMN CC(C)C[C@@H](CN(C)Cc1nccn1C)c1ccccc1 ZINC000474926557 1123612482 /nfs/dbraw/zinc/61/24/82/1123612482.db2.gz AYCINVXBWBXZPF-KRWDZBQOSA-N 0 1 285.435 3.682 20 0 CHADMN CCCn1cc(CN(C)[C@@H](C)c2cccs2)cn1 ZINC000157828842 1129133375 /nfs/dbraw/zinc/13/33/75/1129133375.db2.gz IWSOCMPJJGKFDR-LBPRGKRZSA-N 0 1 263.410 3.548 20 0 CHADMN CC=C(C)C(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 ZINC000081711537 1129137808 /nfs/dbraw/zinc/13/78/08/1129137808.db2.gz FRUYVSIPVTVOJB-YHYXMXQVSA-N 0 1 269.348 3.598 20 0 CHADMN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000474966246 1123618828 /nfs/dbraw/zinc/61/88/28/1123618828.db2.gz MPXADOXEVKHJLJ-RDBSUJKOSA-N 0 1 297.402 3.583 20 0 CHADMN c1[nH]nc2c1CCC[C@@H]2N[C@H](c1ccccc1)C1CC1 ZINC000857846002 1123620835 /nfs/dbraw/zinc/62/08/35/1123620835.db2.gz GAXSXLLRCHKQOG-JKSUJKDBSA-N 0 1 267.376 3.528 20 0 CHADMN c1[nH]nc2c1CCC[C@@H]2N[C@@H](c1ccccc1)C1CC1 ZINC000857846000 1123621252 /nfs/dbraw/zinc/62/12/52/1123621252.db2.gz GAXSXLLRCHKQOG-HOTGVXAUSA-N 0 1 267.376 3.528 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H]1CCCc2c[nH]nc21 ZINC000857848380 1123621860 /nfs/dbraw/zinc/62/18/60/1123621860.db2.gz IKJNPOIAKQPRFT-GJZGRUSLSA-N 0 1 299.418 3.992 20 0 CHADMN c1n[nH]c2c1CCC[C@H]2Nc1ccc2nc(C3CC3)oc2c1 ZINC000857859658 1123621920 /nfs/dbraw/zinc/62/19/20/1123621920.db2.gz GJXMHUVNGOSHTC-CQSZACIVSA-N 0 1 294.358 3.918 20 0 CHADMN CC(C)Cc1ccccc1CN[C@@H]1CCCc2c[nH]nc21 ZINC000857871256 1123623320 /nfs/dbraw/zinc/62/33/20/1123623320.db2.gz MVKLTCRGIPRIDS-QGZVFWFLSA-N 0 1 283.419 3.775 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2N[C@H]1CCCc2c[nH]nc21 ZINC000857873328 1123623962 /nfs/dbraw/zinc/62/39/62/1123623962.db2.gz WSXBKUVMKKCYFY-IRXDYDNUSA-N 0 1 281.403 3.763 20 0 CHADMN C[C@@H](CN(C)Cc1nccs1)C1CCCCC1 ZINC000339009920 1123627541 /nfs/dbraw/zinc/62/75/41/1123627541.db2.gz LWFZBKZYBSZVPV-LBPRGKRZSA-N 0 1 252.427 3.791 20 0 CHADMN CC1(C)CN(Cc2ccsc2)CC2(CCCC2)O1 ZINC000443790279 1123629414 /nfs/dbraw/zinc/62/94/14/1123629414.db2.gz OHYMBEPEIIGWAD-UHFFFAOYSA-N 0 1 265.422 3.672 20 0 CHADMN Fc1cc(CN[C@H]2CCSc3ccccc32)ccn1 ZINC000858088101 1123629744 /nfs/dbraw/zinc/62/97/44/1123629744.db2.gz PTWAWQFBNLAAEX-ZDUSSCGKSA-N 0 1 274.364 3.547 20 0 CHADMN C[C@@H](NCc1ccnc(F)c1)c1ccccc1OC(F)F ZINC000858091493 1123629883 /nfs/dbraw/zinc/62/98/83/1123629883.db2.gz VTWLQWIVVZVNRZ-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN c1nc(CN2CCC[C@H](CCCc3ccccc3)C2)co1 ZINC000191948350 1123633239 /nfs/dbraw/zinc/63/32/39/1123633239.db2.gz GZHYORTZNQTCIX-KRWDZBQOSA-N 0 1 284.403 3.910 20 0 CHADMN Fc1cc(CNC2(c3ccc(Cl)cc3)CC2)ccn1 ZINC000858135013 1123634434 /nfs/dbraw/zinc/63/44/34/1123634434.db2.gz ZBFJLLHIGKFZLV-UHFFFAOYSA-N 0 1 276.742 3.653 20 0 CHADMN Cc1cccc([C@@H](NCc2ncc(Cl)n2C)C(C)C)c1 ZINC000858286383 1123641405 /nfs/dbraw/zinc/64/14/05/1123641405.db2.gz AHISCQIRZCGXGD-INIZCTEOSA-N 0 1 291.826 3.869 20 0 CHADMN Cc1cccc([C@H](NCc2cnc(C)cn2)C(C)C)c1 ZINC000858286461 1123641452 /nfs/dbraw/zinc/64/14/52/1123641452.db2.gz CNHVWJATHAXBHU-QGZVFWFLSA-N 0 1 269.392 3.580 20 0 CHADMN Cc1ccoc1CN[C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000648068763 1123642625 /nfs/dbraw/zinc/64/26/25/1123642625.db2.gz BKEQLICOZAEEOH-SFHVURJKSA-N 0 1 297.398 3.748 20 0 CHADMN Fc1ccc(CNCc2csc(C(F)(F)F)c2)cn1 ZINC000858304912 1123642772 /nfs/dbraw/zinc/64/27/72/1123642772.db2.gz KTFRBQAITNTKRL-UHFFFAOYSA-N 0 1 290.285 3.591 20 0 CHADMN C/C=C\CNCc1c(C)nn(Cc2ccccc2)c1Cl ZINC000858290819 1123642781 /nfs/dbraw/zinc/64/27/81/1123642781.db2.gz IHBKZICVFMXDSF-ARJAWSKDSA-N 0 1 289.810 3.559 20 0 CHADMN COC(=O)c1ccc(CN(Cc2cccs2)C(C)C)o1 ZINC000036150559 1123644776 /nfs/dbraw/zinc/64/47/76/1123644776.db2.gz NFWIFPVSVXLIBB-UHFFFAOYSA-N 0 1 293.388 3.538 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCc3ccc(Cl)cc32)nn1 ZINC000858337288 1123645851 /nfs/dbraw/zinc/64/58/51/1123645851.db2.gz DLRBSERVVGJTFN-MRXNPFEDSA-N 0 1 287.794 3.606 20 0 CHADMN Cc1csc([C@@H](C)Nc2cc3c(cn2)CCCC3)n1 ZINC000858421146 1123652788 /nfs/dbraw/zinc/65/27/88/1123652788.db2.gz ZMBBIQGYJMWSKK-LLVKDONJSA-N 0 1 273.405 3.898 20 0 CHADMN CC[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000522677329 1123660872 /nfs/dbraw/zinc/66/08/72/1123660872.db2.gz MXTWLVZQCDUCNN-CQSZACIVSA-N 0 1 297.402 3.729 20 0 CHADMN C[C@H](c1cccnc1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000346086953 1123663399 /nfs/dbraw/zinc/66/33/99/1123663399.db2.gz USWYZIBOYNAPBC-TZMCWYRMSA-N 0 1 288.341 3.910 20 0 CHADMN CCc1cnc(CN([C@@H](C)C(C)C)C2CC2)s1 ZINC000346133398 1123664457 /nfs/dbraw/zinc/66/44/57/1123664457.db2.gz MQLCOYGDYOOXAF-NSHDSACASA-N 0 1 252.427 3.714 20 0 CHADMN CC(=O)Nc1ccc([C@@H](C)N[C@H](C)c2ccns2)cc1 ZINC000858578347 1123664761 /nfs/dbraw/zinc/66/47/61/1123664761.db2.gz UTZXVEODBYMHKS-GHMZBOCLSA-N 0 1 289.404 3.513 20 0 CHADMN CCc1nc2c(s1)[C@@H](N[C@@H](C)c1ccns1)CCC2 ZINC000858578354 1123664897 /nfs/dbraw/zinc/66/48/97/1123664897.db2.gz UULAATNLHSICRK-UWVGGRQHSA-N 0 1 293.461 3.890 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccc1N(C)C)c1ccns1 ZINC000858578255 1123665060 /nfs/dbraw/zinc/66/50/60/1123665060.db2.gz TWDLZKSOSBECGT-VXGBXAGGSA-N 0 1 275.421 3.621 20 0 CHADMN CCCCCCN(CC)CC(=O)Nc1ccccc1OC ZINC000071809492 1129137184 /nfs/dbraw/zinc/13/71/84/1129137184.db2.gz ZBFYVLKCIAPYEC-UHFFFAOYSA-N 0 1 292.423 3.536 20 0 CHADMN Cc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccns1 ZINC000858579451 1123665675 /nfs/dbraw/zinc/66/56/75/1123665675.db2.gz WCQCUKZBJLHLIM-FZMZJTMJSA-N 0 1 258.390 3.790 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)COC2)c1ccns1 ZINC000858578619 1123665684 /nfs/dbraw/zinc/66/56/84/1123665684.db2.gz PTKXHDVTMYRZJI-WDEREUQCSA-N 0 1 274.389 3.585 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@H]1CCc2ccc(Cl)cc21 ZINC000858582643 1123665787 /nfs/dbraw/zinc/66/57/87/1123665787.db2.gz RWPLFWQPRNRPME-ZBEGNZNMSA-N 0 1 287.794 3.777 20 0 CHADMN Cc1cccc2c1CC[C@@H]2N[C@H](C)c1ccns1 ZINC000858579452 1123665990 /nfs/dbraw/zinc/66/59/90/1123665990.db2.gz WCQCUKZBJLHLIM-RISCZKNCSA-N 0 1 258.390 3.790 20 0 CHADMN CCc1cnc(CN2CCC3(CCCC3)CC2)s1 ZINC000346143593 1123666577 /nfs/dbraw/zinc/66/65/77/1123666577.db2.gz DTCYQUGZFQTLEJ-UHFFFAOYSA-N 0 1 264.438 3.862 20 0 CHADMN CC1=CCN(Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000346189366 1123669159 /nfs/dbraw/zinc/66/91/59/1123669159.db2.gz CSUSNJXMRHLPLC-UHFFFAOYSA-N 0 1 273.424 3.620 20 0 CHADMN Cc1nc(CN2CCCc3ccccc3C2)c(C)s1 ZINC000346170661 1123670162 /nfs/dbraw/zinc/67/01/62/1123670162.db2.gz DUDMXQMSYOVZQO-UHFFFAOYSA-N 0 1 272.417 3.708 20 0 CHADMN CO[C@@H](C)CN(Cc1ncc(C(C)C)s1)C(C)C ZINC000346214956 1123671131 /nfs/dbraw/zinc/67/11/31/1123671131.db2.gz ZMRQVUFUDXFPOO-LBPRGKRZSA-N 0 1 270.442 3.512 20 0 CHADMN Fc1ccc(C[N@H+](Cc2ccc(F)cn2)CC2CC2)cc1 ZINC000346251432 1123675365 /nfs/dbraw/zinc/67/53/65/1123675365.db2.gz SMMNENGRIYTUHO-UHFFFAOYSA-N 0 1 288.341 3.772 20 0 CHADMN Fc1ccc(CN(Cc2ccc(F)cn2)CC2CC2)cc1 ZINC000346251432 1123675368 /nfs/dbraw/zinc/67/53/68/1123675368.db2.gz SMMNENGRIYTUHO-UHFFFAOYSA-N 0 1 288.341 3.772 20 0 CHADMN c1ccc(Oc2ccc(CN3CCC4(CCC4)C3)nn2)cc1 ZINC000346312038 1123680022 /nfs/dbraw/zinc/68/00/22/1123680022.db2.gz OHKINLBSBCWDGP-UHFFFAOYSA-N 0 1 295.386 3.645 20 0 CHADMN Fc1ccc(CN(C2CC2)[C@@H]2CCc3ccccc32)nc1 ZINC000346381277 1123682109 /nfs/dbraw/zinc/68/21/09/1123682109.db2.gz IBKXMFHCUBPLOO-GOSISDBHSA-N 0 1 282.362 3.873 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3ccsc3)[nH]n2)cc1 ZINC000346338544 1123682377 /nfs/dbraw/zinc/68/23/77/1123682377.db2.gz VGQXSXALLFDHSU-UHFFFAOYSA-N 0 1 283.356 3.699 20 0 CHADMN CCCCN(C(=O)c1cccc2c[nH]nc21)[C@@H](C)CC ZINC000346455769 1123687426 /nfs/dbraw/zinc/68/74/26/1123687426.db2.gz AOFTUZPQPOBJKW-LBPRGKRZSA-N 0 1 273.380 3.604 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2ccc(F)c(F)c2)CCCO1 ZINC000281212830 1123689261 /nfs/dbraw/zinc/68/92/61/1123689261.db2.gz BDLITHPBVZTLGF-DGCLKSJQSA-N 0 1 269.335 3.527 20 0 CHADMN C[C@H](NCc1ccc(F)cn1)c1cccc(OC(F)F)c1 ZINC000346521846 1123691399 /nfs/dbraw/zinc/69/13/99/1123691399.db2.gz JOMBFXMSAXHDKN-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN C[C@H](NCc1ccc(F)cn1)c1cccc(Cl)c1 ZINC000346532213 1123692408 /nfs/dbraw/zinc/69/24/08/1123692408.db2.gz MBRHXWPGXKBWCR-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN CO[C@@H]1CCC[C@@H](CC(=O)Nc2cccc(Cl)c2O)C1 ZINC000281273854 1123692732 /nfs/dbraw/zinc/69/27/32/1123692732.db2.gz RJWKUMXFZBHYEE-GHMZBOCLSA-N 0 1 297.782 3.579 20 0 CHADMN Clc1ccc(COc2ccccc2-c2nnc[nH]2)cc1 ZINC000158102805 1129139111 /nfs/dbraw/zinc/13/91/11/1129139111.db2.gz QLWKYZSDTZXHEI-UHFFFAOYSA-N 0 1 285.734 3.704 20 0 CHADMN Fc1ccc(CN2CCCC3(CC3)C2)cc1Cl ZINC000346556452 1123695304 /nfs/dbraw/zinc/69/53/04/1123695304.db2.gz HPQFQERKVFWRJS-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN CC[C@H](NCc1ccc(F)cn1)c1cccs1 ZINC000346573289 1123696841 /nfs/dbraw/zinc/69/68/41/1123696841.db2.gz QMCXHXCEUMAJDH-LBPRGKRZSA-N 0 1 250.342 3.523 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1NCc1ncc(Cl)s1 ZINC000346583423 1123697708 /nfs/dbraw/zinc/69/77/08/1123697708.db2.gz WLOJDKPWACFFTK-VHSXEESVSA-N 0 1 290.885 3.950 20 0 CHADMN CS[C@H](C)CN[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000346665318 1123706002 /nfs/dbraw/zinc/70/60/02/1123706002.db2.gz ZQPQWTXZGSMHRO-MLGOLLRUSA-N 0 1 290.407 3.651 20 0 CHADMN Cc1ccc(CNc2ccc3nc[nH]c3c2)cc1C ZINC000346687404 1123707194 /nfs/dbraw/zinc/70/71/94/1123707194.db2.gz UMAVILHIYYDPKQ-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN CC1=C[C@H](C)C[C@H](C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1 ZINC000859811834 1123711190 /nfs/dbraw/zinc/71/11/90/1123711190.db2.gz FENAGOXLASFJOQ-CWRNSKLLSA-N 0 1 293.451 3.802 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@@H]1CCCOc2ccccc21 ZINC000281498583 1123713688 /nfs/dbraw/zinc/71/36/88/1123713688.db2.gz WPBNVZWFIZGNMA-QGZVFWFLSA-N 0 1 299.418 3.776 20 0 CHADMN COc1ccc([C@H](C)NCc2cn(C(C)C)nc2C)cc1 ZINC000281536335 1123716986 /nfs/dbraw/zinc/71/69/86/1123716986.db2.gz YYLZDCDLNXNBEG-ZDUSSCGKSA-N 0 1 287.407 3.632 20 0 CHADMN CC(C)(C)OC1CC(N2CCc3c(F)cccc3C2)C1 ZINC000335987945 1123720576 /nfs/dbraw/zinc/72/05/76/1123720576.db2.gz YTEWWFINWYQKSP-UHFFFAOYSA-N 0 1 277.383 3.530 20 0 CHADMN CC[C@H](C)N(Cc1ccccc1)Cc1cnccc1OC ZINC000346831850 1123725293 /nfs/dbraw/zinc/72/52/93/1123725293.db2.gz UXPSSBSKKMTZCG-HNNXBMFYSA-N 0 1 284.403 3.891 20 0 CHADMN CCOc1ccccc1CN1CCC[C@H]1c1cccnc1 ZINC000346981010 1123737930 /nfs/dbraw/zinc/73/79/30/1123737930.db2.gz MRMBLMYOHUVRBF-KRWDZBQOSA-N 0 1 282.387 3.817 20 0 CHADMN Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346968710 1123738043 /nfs/dbraw/zinc/73/80/43/1123738043.db2.gz DRZDLVKSUHCRJM-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccc(F)cc1CN1CCC[C@@H]1c1cccnc1 ZINC000346968710 1123738046 /nfs/dbraw/zinc/73/80/46/1123738046.db2.gz DRZDLVKSUHCRJM-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)O1 ZINC000475053679 1123744673 /nfs/dbraw/zinc/74/46/73/1123744673.db2.gz PXPNKSRBDRJPAM-ZYHUDNBSSA-N 0 1 288.218 3.993 20 0 CHADMN FC1(F)C[C@@]12CCN(Cc1ccc(Cl)s1)C2 ZINC000649900975 1129142570 /nfs/dbraw/zinc/14/25/70/1129142570.db2.gz CXKIDGSQTGCVNF-SNVBAGLBSA-N 0 1 263.740 3.633 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N1CCC(CF)CC1 ZINC000336259900 1123752864 /nfs/dbraw/zinc/75/28/64/1123752864.db2.gz LZIXXTRKMJQJQI-LLVKDONJSA-N 0 1 262.328 3.570 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cc(C)n(C)n1)c1ccc(OC)cc1 ZINC000281942310 1123754832 /nfs/dbraw/zinc/75/48/32/1123754832.db2.gz ADGCQSUXPMDXHL-XJKSGUPXSA-N 0 1 287.407 3.539 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1ccncc1 ZINC000281961226 1123760359 /nfs/dbraw/zinc/76/03/59/1123760359.db2.gz JIEXDJMJLYFHNA-GFCCVEGCSA-N 0 1 258.390 3.654 20 0 CHADMN Cc1ccc(C)c([C@H](C)N[C@H]2CCCc3c[nH]nc32)c1 ZINC000336359520 1123765179 /nfs/dbraw/zinc/76/51/79/1123765179.db2.gz IODOZVDYDDXJPT-BBRMVZONSA-N 0 1 269.392 3.755 20 0 CHADMN C[C@@H](NCc1ccn(C)c1)c1csc(Cl)c1 ZINC000276398590 1129143845 /nfs/dbraw/zinc/14/38/45/1129143845.db2.gz SJLSAQCBDMZEHD-SECBINFHSA-N 0 1 254.786 3.591 20 0 CHADMN CCN(Cc1nc2ccccc2n1C(F)F)C1CCC1 ZINC000444249869 1123775398 /nfs/dbraw/zinc/77/53/98/1123775398.db2.gz OTTRIYCXAYKZKO-UHFFFAOYSA-N 0 1 279.334 3.806 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2ccncn2)c(C)s1 ZINC000395782667 1123776963 /nfs/dbraw/zinc/77/69/63/1123776963.db2.gz DVBUYCCVFCEYFE-QWRGUYRKSA-N 0 1 261.394 3.567 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2ccncn2)c(C)s1 ZINC000395782668 1123776981 /nfs/dbraw/zinc/77/69/81/1123776981.db2.gz DVBUYCCVFCEYFE-WDEREUQCSA-N 0 1 261.394 3.567 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2ccncn2)c(C)s1 ZINC000395782666 1123777526 /nfs/dbraw/zinc/77/75/26/1123777526.db2.gz DVBUYCCVFCEYFE-MNOVXSKESA-N 0 1 261.394 3.567 20 0 CHADMN Cc1onc(-c2ccccc2)c1CN1CCC[C@@](C)(F)C1 ZINC001141978677 1123778407 /nfs/dbraw/zinc/77/84/07/1123778407.db2.gz HFCJQPZXXVPFAW-QGZVFWFLSA-N 0 1 288.366 3.974 20 0 CHADMN [O-]c1cccc(C[NH2+][C@H](C2CC2)C2CCC2)c1Cl ZINC000324636439 1123780055 /nfs/dbraw/zinc/78/00/55/1123780055.db2.gz BRLYHUOKXDKSGL-HNNXBMFYSA-N 0 1 265.784 3.714 20 0 CHADMN Cc1ccccc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000103057689 1123780602 /nfs/dbraw/zinc/78/06/02/1123780602.db2.gz JVQGYFQMRYRQCB-UHFFFAOYSA-N 0 1 299.754 3.588 20 0 CHADMN COc1ccc(CN2CCC(C)CC2)cc1Br ZINC000042211215 1123780692 /nfs/dbraw/zinc/78/06/92/1123780692.db2.gz NFFXZBUEVOHJLE-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN C[C@@H](NCc1cn2ccccc2n1)c1ccc(Cl)cc1 ZINC000042300564 1123782703 /nfs/dbraw/zinc/78/27/03/1123782703.db2.gz AKQAFKRMMOUBMS-GFCCVEGCSA-N 0 1 285.778 3.839 20 0 CHADMN CCC[C@H](C(=O)NOC(C)C)c1cccc(Cl)c1 ZINC000861879300 1123786649 /nfs/dbraw/zinc/78/66/49/1123786649.db2.gz JZUXRMUKOYZRHC-ZDUSSCGKSA-N 0 1 269.772 3.680 20 0 CHADMN CCc1nc(CN(C2CC2)C2CCCC2)cs1 ZINC000103466238 1123786625 /nfs/dbraw/zinc/78/66/25/1123786625.db2.gz SAVLBMPGRJUMDV-UHFFFAOYSA-N 0 1 250.411 3.613 20 0 CHADMN CCN(Cc1ccnc(F)c1C)[C@@H](C)c1cccc(O)c1 ZINC000862227960 1123793033 /nfs/dbraw/zinc/79/30/33/1123793033.db2.gz JYKGHFFVRSLJRE-ZDUSSCGKSA-N 0 1 288.366 3.818 20 0 CHADMN Cc1ncc(CN2CCC(c3ccc(F)cc3)CC2)o1 ZINC000862242794 1123794139 /nfs/dbraw/zinc/79/41/39/1123794139.db2.gz RBFZESGNCNMLGY-UHFFFAOYSA-N 0 1 274.339 3.502 20 0 CHADMN Cc1c(CN2CCSC3(CCCCC3)C2)ccnc1F ZINC000862249091 1123795313 /nfs/dbraw/zinc/79/53/13/1123795313.db2.gz GEVHWTFNVVYBOM-UHFFFAOYSA-N 0 1 294.439 3.781 20 0 CHADMN CC[C@@H](NCc1ccnc(F)c1C)c1ccccc1OC ZINC000862268957 1123796077 /nfs/dbraw/zinc/79/60/77/1123796077.db2.gz KOHHVJVWUPLDTL-OAHLLOKOSA-N 0 1 288.366 3.779 20 0 CHADMN CC[C@@]1(CO)CCCN1Cc1ccc(Cl)cc1Cl ZINC000475130141 1123796155 /nfs/dbraw/zinc/79/61/55/1123796155.db2.gz OLQIHXYUCYVZJF-AWEZNQCLSA-N 0 1 288.218 3.730 20 0 CHADMN C[C@H](N[C@@H](C)c1ccncn1)c1ccc(Cl)cc1 ZINC000395924918 1123797215 /nfs/dbraw/zinc/79/72/15/1123797215.db2.gz VOKLCDNDGUYGSD-QWRGUYRKSA-N 0 1 261.756 3.542 20 0 CHADMN c1cc([C@@H]2CCCN2Cc2cnc3ccccn23)cs1 ZINC000158491873 1129146008 /nfs/dbraw/zinc/14/60/08/1129146008.db2.gz QPMBOFIWIRGSNS-HNNXBMFYSA-N 0 1 283.400 3.733 20 0 CHADMN CCc1ccc(CN(C)[C@H](C)c2cccc(O)c2)nc1 ZINC000339035259 1123799130 /nfs/dbraw/zinc/79/91/30/1123799130.db2.gz KCYJEFOERBEVGG-CYBMUJFWSA-N 0 1 270.376 3.543 20 0 CHADMN Cc1nc2ccccn2c1C[N@H+](C)[C@@H](C)c1cccs1 ZINC000158511277 1129146243 /nfs/dbraw/zinc/14/62/43/1129146243.db2.gz WBOYIKZMHVLAAP-ZDUSSCGKSA-N 0 1 285.416 3.897 20 0 CHADMN Cc1nc2ccccn2c1CN(C)[C@@H](C)c1cccs1 ZINC000158511277 1129146244 /nfs/dbraw/zinc/14/62/44/1129146244.db2.gz WBOYIKZMHVLAAP-ZDUSSCGKSA-N 0 1 285.416 3.897 20 0 CHADMN Cc1ccnc(NCc2ccnc(F)c2C)c1C1CC1 ZINC000862411870 1123807643 /nfs/dbraw/zinc/80/76/43/1123807643.db2.gz GPBRAXWRSDTBDF-UHFFFAOYSA-N 0 1 271.339 3.722 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2CCc3ccc(Cl)cc32)o1 ZINC000862539998 1123817613 /nfs/dbraw/zinc/81/76/13/1123817613.db2.gz ZYRFRBLGXKZBHX-CQSZACIVSA-N 0 1 276.767 3.722 20 0 CHADMN CCCc1cc(C(=O)N([C@H](C)c2ccccc2)C2CC2)n[nH]1 ZINC000621229611 1129147314 /nfs/dbraw/zinc/14/73/14/1129147314.db2.gz ULXCECOOOJSKRI-CYBMUJFWSA-N 0 1 297.402 3.728 20 0 CHADMN Fc1cccc(CN2CCC(c3c[nH]cn3)CC2)c1Cl ZINC000339044042 1123829697 /nfs/dbraw/zinc/82/96/97/1123829697.db2.gz JXJBIMLUQFLYHP-UHFFFAOYSA-N 0 1 293.773 3.582 20 0 CHADMN Cc1[nH]ncc1C(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 ZINC000863258955 1123856617 /nfs/dbraw/zinc/85/66/17/1123856617.db2.gz QSEUODSEQMKKKJ-AWEZNQCLSA-N 0 1 297.402 3.583 20 0 CHADMN Cn1cccc1CN1CC=C(c2cccc(Cl)c2)CC1 ZINC000475432714 1123864301 /nfs/dbraw/zinc/86/43/01/1123864301.db2.gz FWTKOXHNQLIUAF-UHFFFAOYSA-N 0 1 286.806 3.968 20 0 CHADMN Cc1ccccc1[C@H](CC(C)C)Nc1ncnc2[nH]cnc21 ZINC000301219876 1123882077 /nfs/dbraw/zinc/88/20/77/1123882077.db2.gz ANDXINPSOKVKLX-AWEZNQCLSA-N 0 1 295.390 3.861 20 0 CHADMN CCOC[C@H]1CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000301298954 1123890100 /nfs/dbraw/zinc/89/01/00/1123890100.db2.gz TYTHGTQDPRQOCG-ZDUSSCGKSA-N 0 1 288.366 3.627 20 0 CHADMN OC[C@H](Nc1ccnc2cc(F)ccc21)c1ccccc1 ZINC000301391280 1123897524 /nfs/dbraw/zinc/89/75/24/1123897524.db2.gz ZRJJRHXAOORPDQ-KRWDZBQOSA-N 0 1 282.318 3.519 20 0 CHADMN CSC(C)(C)CNc1ccnc2cc(F)ccc21 ZINC000301442291 1123900852 /nfs/dbraw/zinc/90/08/52/1123900852.db2.gz MWDHQNXGLMEZAE-UHFFFAOYSA-N 0 1 264.369 3.927 20 0 CHADMN C[C@@H](C[N@H+]1CCC[C@@H]1c1ncc[nH]1)C1CCCCC1 ZINC000339064896 1123900941 /nfs/dbraw/zinc/90/09/41/1123900941.db2.gz WVRXAEMFBSYUDM-DZGCQCFKSA-N 0 1 261.413 3.763 20 0 CHADMN CO[C@H]1CCCC[C@@H]1Nc1ccnc2cc(F)ccc21 ZINC000301471067 1123903102 /nfs/dbraw/zinc/90/31/02/1123903102.db2.gz SXLOALCMXFBGTJ-HOCLYGCPSA-N 0 1 274.339 3.743 20 0 CHADMN Clc1cnc(Sc2nc3ccc(Cl)cc3[nH]2)nc1 ZINC000301500695 1123906357 /nfs/dbraw/zinc/90/63/57/1123906357.db2.gz WXUDRPXNKAELOM-UHFFFAOYSA-N 0 1 297.170 3.811 20 0 CHADMN Cc1ccnc(NCCCCOc2ccc(F)cc2)c1 ZINC000301637041 1123919523 /nfs/dbraw/zinc/91/95/23/1123919523.db2.gz LUQVOMGPJLAKMZ-UHFFFAOYSA-N 0 1 274.339 3.800 20 0 CHADMN Cc1ccnc(NCCCSc2ccccc2)c1 ZINC000301649676 1123920166 /nfs/dbraw/zinc/92/01/66/1123920166.db2.gz RJEFKNDIXGRTKC-UHFFFAOYSA-N 0 1 258.390 3.984 20 0 CHADMN Cc1ccnc(NC[C@H](C)c2ccc(F)cc2F)c1 ZINC000301651694 1123920294 /nfs/dbraw/zinc/92/02/94/1123920294.db2.gz QJKSQTWTPCELNG-NSHDSACASA-N 0 1 262.303 3.884 20 0 CHADMN Cc1cc(NC[C@@H](C)C[C@@H](C)O)c2cc(F)ccc2n1 ZINC000301644365 1123920661 /nfs/dbraw/zinc/92/06/61/1123920661.db2.gz CJSIKCHOHQEYNC-CMPLNLGQSA-N 0 1 276.355 3.501 20 0 CHADMN COc1cc(CNc2cc(C)nc3ccc(F)cc32)ccn1 ZINC000301657218 1123921639 /nfs/dbraw/zinc/92/16/39/1123921639.db2.gz IDNOXDMVBFWUGZ-UHFFFAOYSA-N 0 1 297.333 3.698 20 0 CHADMN Cc1cc(N[C@@H](CCO)C(C)C)c2cc(F)ccc2n1 ZINC000301669832 1123922105 /nfs/dbraw/zinc/92/21/05/1123922105.db2.gz NJYWFKBDOVTPQX-AWEZNQCLSA-N 0 1 276.355 3.501 20 0 CHADMN Cc1cc(NCCCC(C)(C)CO)c2cc(F)ccc2n1 ZINC000301684387 1123924580 /nfs/dbraw/zinc/92/45/80/1123924580.db2.gz TVDLIOYAIWUUQJ-UHFFFAOYSA-N 0 1 290.382 3.893 20 0 CHADMN CCN(CC1CCC1)Cn1ccn(C(C)C)c1=S ZINC000794684507 1123927910 /nfs/dbraw/zinc/92/79/10/1123927910.db2.gz WKFIOOWRLINNBU-UHFFFAOYSA-N 0 1 267.442 3.679 20 0 CHADMN Clc1cncc(CN2CCSC3(CCCCC3)C2)c1 ZINC000621261749 1129153874 /nfs/dbraw/zinc/15/38/74/1129153874.db2.gz BMTWHACCBPJWED-UHFFFAOYSA-N 0 1 296.867 3.987 20 0 CHADMN CCC=C(F)C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000864761362 1123945174 /nfs/dbraw/zinc/94/51/74/1123945174.db2.gz HXCATZLNRAFFNB-JOHMGYAOSA-N 0 1 289.354 3.640 20 0 CHADMN Clc1ccc(CN2CCC[C@H](c3cccnc3)C2)nc1 ZINC000639694883 1123952707 /nfs/dbraw/zinc/95/27/07/1123952707.db2.gz ODNWUXOGXNETOI-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cnn(C(C)C)c2)c(C)o1 ZINC000120345062 1123955930 /nfs/dbraw/zinc/95/59/30/1123955930.db2.gz IKCLMZCSEPDNCL-LBPRGKRZSA-N 0 1 261.369 3.525 20 0 CHADMN CCC[C@@H](NCc1cccnc1F)c1ccc(OC)cc1 ZINC000794828750 1123962425 /nfs/dbraw/zinc/96/24/25/1123962425.db2.gz NWECPJJUBFWRLZ-MRXNPFEDSA-N 0 1 288.366 3.860 20 0 CHADMN CC(C)[C@H](NCc1cccnc1F)c1ccc(F)c(F)c1 ZINC000794830588 1123962456 /nfs/dbraw/zinc/96/24/56/1123962456.db2.gz YNAJRDGNSJOMKL-HNNXBMFYSA-N 0 1 294.320 3.986 20 0 CHADMN Cc1ccc(OCCCNc2cccc(C)n2)cc1 ZINC000302229645 1123963248 /nfs/dbraw/zinc/96/32/48/1123963248.db2.gz BEVKGAHZINTMAT-UHFFFAOYSA-N 0 1 256.349 3.579 20 0 CHADMN CCC[C@H](NCc1cccnc1F)c1ccccc1 ZINC000794830999 1123963610 /nfs/dbraw/zinc/96/36/10/1123963610.db2.gz BDLYLXGIWXBBAB-HNNXBMFYSA-N 0 1 258.340 3.852 20 0 CHADMN CC(C)O[C@@H](CN1CCO[C@H](C(C)C)C1)c1ccccc1 ZINC000428347993 1123975008 /nfs/dbraw/zinc/97/50/08/1123975008.db2.gz OHKFHOBCRZNROY-ROUUACIJSA-N 0 1 291.435 3.510 20 0 CHADMN C[C@H](NCc1ccc(OC(F)F)cc1F)c1ccncc1 ZINC000865401546 1123980382 /nfs/dbraw/zinc/98/03/82/1123980382.db2.gz XYSFDBPBYNQXSV-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN CCOC1CC(CCNc2ccnc3cc(F)ccc32)C1 ZINC000302719850 1123980459 /nfs/dbraw/zinc/98/04/59/1123980459.db2.gz ZOBSMEFMPBVYEY-UHFFFAOYSA-N 0 1 288.366 3.991 20 0 CHADMN COc1ccc(CNCc2cccc(Cl)c2C)cc1O ZINC000865441856 1123984083 /nfs/dbraw/zinc/98/40/83/1123984083.db2.gz YNGBZJMHURUBSS-UHFFFAOYSA-N 0 1 291.778 3.652 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccnc2F)cc1C ZINC000794838700 1123988714 /nfs/dbraw/zinc/98/87/14/1123988714.db2.gz ZVHVLRZENLRDNH-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1ccc(CNCc2ccc(C(C)(C)O)cc2)c(F)c1 ZINC000865532355 1123993685 /nfs/dbraw/zinc/99/36/85/1123993685.db2.gz ZLDNTIYXYCLJPW-UHFFFAOYSA-N 0 1 287.378 3.651 20 0 CHADMN Cc1ccnc(CN[C@@H]2CC23CCCC3)c1Br ZINC000865543393 1123993754 /nfs/dbraw/zinc/99/37/54/1123993754.db2.gz LIEKLFBLWQEWAR-GFCCVEGCSA-N 0 1 295.224 3.575 20 0 CHADMN Cc1cc(C)c(/C=C/CN[C@@H]2CCn3ccnc32)c(C)c1 ZINC000865583115 1123997172 /nfs/dbraw/zinc/99/71/72/1123997172.db2.gz ROOSUCREDRQXCK-LAQIPUCWSA-N 0 1 281.403 3.556 20 0 CHADMN CCOc1cc(F)cc(CNCc2cnc(C)cc2C)c1 ZINC000865592892 1123997412 /nfs/dbraw/zinc/99/74/12/1123997412.db2.gz CBIVHVLXTYSMQT-UHFFFAOYSA-N 0 1 288.366 3.526 20 0 CHADMN CCOc1cc(F)cc(CNCc2ccc(C)c(C)n2)c1 ZINC000865599597 1123997883 /nfs/dbraw/zinc/99/78/83/1123997883.db2.gz MXJIFJANGGOHHE-UHFFFAOYSA-N 0 1 288.366 3.526 20 0 CHADMN c1cn(C2CC2)c(NCc2ccccc2OCC2CC2)n1 ZINC000840887811 1123998430 /nfs/dbraw/zinc/99/84/30/1123998430.db2.gz VUMFCTJNAUGHGP-UHFFFAOYSA-N 0 1 283.375 3.619 20 0 CHADMN CCCOc1cccc(CNc2nccn2C2CC2)c1 ZINC000840887821 1123998886 /nfs/dbraw/zinc/99/88/86/1123998886.db2.gz WHHHEEIGTNFQGL-UHFFFAOYSA-N 0 1 271.364 3.619 20 0 CHADMN CCC[C@H](NCc1ccc2c(c1)OCO2)c1cc(C)ccn1 ZINC000631561976 1124001371 /nfs/dbraw/zinc/00/13/71/1124001371.db2.gz UTMKLAXYBWBLQX-HNNXBMFYSA-N 0 1 298.386 3.750 20 0 CHADMN CCc1csc(N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)n1 ZINC000865724110 1124007723 /nfs/dbraw/zinc/00/77/23/1124007723.db2.gz HLMYZEWOVQZTOJ-IUCAKERBSA-N 0 1 279.413 3.510 20 0 CHADMN CCCCOc1ccc(CNCc2ccnc(F)c2)cc1 ZINC000865722524 1124008029 /nfs/dbraw/zinc/00/80/29/1124008029.db2.gz ZKLYTMWBCOJHMW-UHFFFAOYSA-N 0 1 288.366 3.689 20 0 CHADMN Fc1cccc(C2(NCc3cncc(Cl)c3)CC2)c1 ZINC000621274145 1129160397 /nfs/dbraw/zinc/16/03/97/1129160397.db2.gz ZJZODAPEIHXWJK-UHFFFAOYSA-N 0 1 276.742 3.653 20 0 CHADMN CCC(CC)(CNCc1ncc(Cl)n1C)C(F)(F)F ZINC000865756741 1124011663 /nfs/dbraw/zinc/01/16/63/1124011663.db2.gz ZINTVCPKUOQPHW-UHFFFAOYSA-N 0 1 297.752 3.532 20 0 CHADMN C[C@H](NCc1cccc(CC2CCC2)c1)c1ccnn1C ZINC000865837896 1124019688 /nfs/dbraw/zinc/01/96/88/1124019688.db2.gz MTTRAOBVDFWGMK-AWEZNQCLSA-N 0 1 283.419 3.614 20 0 CHADMN C[C@H](NCc1ccc(SC(F)F)cc1)c1ccnn1C ZINC000865839482 1124020891 /nfs/dbraw/zinc/02/08/91/1124020891.db2.gz XYRFRHCRNPFWAE-JTQLQIEISA-N 0 1 297.374 3.586 20 0 CHADMN C[C@@H]1CN(c2ccncc2C(F)(F)F)C[C@H](C)C1(F)F ZINC000865963300 1124027205 /nfs/dbraw/zinc/02/72/05/1124027205.db2.gz LRHANSRZAIXJTR-DTORHVGOSA-N 0 1 294.267 3.828 20 0 CHADMN CCC(C)=C(C)C(=O)N[C@@H](CC)c1nc2ccccc2[nH]1 ZINC000779905758 1129161605 /nfs/dbraw/zinc/16/16/05/1129161605.db2.gz NRQJXCMGWHJCNF-HHQWOOOKSA-N 0 1 285.391 3.877 20 0 CHADMN Cc1cc2cc[nH]c2cc1NC(=O)c1c(O)cccc1F ZINC000444452876 1124037034 /nfs/dbraw/zinc/03/70/34/1124037034.db2.gz ZVQJGSKIJPDZAE-UHFFFAOYSA-N 0 1 284.290 3.573 20 0 CHADMN Cc1cc(CN[C@@H](C)CCc2cncc3ccccc32)no1 ZINC000866243707 1124041873 /nfs/dbraw/zinc/04/18/73/1124041873.db2.gz WZSQKJAFVXGEFN-ZDUSSCGKSA-N 0 1 295.386 3.642 20 0 CHADMN CCN(Cc1nc(CC(C)C)no1)[C@@H]1CCCC[C@H]1C ZINC000444661657 1124049282 /nfs/dbraw/zinc/04/92/82/1124049282.db2.gz LXRYDWAJLTZYHH-ZIAGYGMSSA-N 0 1 279.428 3.669 20 0 CHADMN COC[C@@H](NCc1nc(C2CCCCC2)cs1)C1CC1 ZINC000444687573 1124050626 /nfs/dbraw/zinc/05/06/26/1124050626.db2.gz GYEBUWABFYQAEC-CQSZACIVSA-N 0 1 294.464 3.705 20 0 CHADMN F[C@H]1COc2ccccc2[C@@H]1NC1CCC(F)(F)CC1 ZINC000866313134 1124051028 /nfs/dbraw/zinc/05/10/28/1124051028.db2.gz WUQHKQXYLTXCDX-JSGCOSHPSA-N 0 1 285.309 3.626 20 0 CHADMN Cc1nccnc1CN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000621326964 1129163017 /nfs/dbraw/zinc/16/30/17/1129163017.db2.gz ZRPPFATZQQPHHW-CYBMUJFWSA-N 0 1 281.403 3.515 20 0 CHADMN Cc1nc2cc(N[C@@H](C)CCc3cccnc3)ccc2n1C ZINC000866333237 1124053827 /nfs/dbraw/zinc/05/38/27/1124053827.db2.gz JCFKANSTIFVRNS-ZDUSSCGKSA-N 0 1 294.402 3.710 20 0 CHADMN Cc1cc(CN(C)CCC(=O)c2ccccc2)ccc1F ZINC000444737382 1124057068 /nfs/dbraw/zinc/05/70/68/1124057068.db2.gz RNKCEAMJZBINBP-UHFFFAOYSA-N 0 1 285.362 3.839 20 0 CHADMN Cc1cc(C)cc(CN(C)[C@H](C)C(=O)Nc2ccccc2)c1 ZINC000444717230 1124057848 /nfs/dbraw/zinc/05/78/48/1124057848.db2.gz RPQJGFYEDIRMSU-MRXNPFEDSA-N 0 1 296.414 3.762 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccccn2)C(C)C)nc1C ZINC000866371279 1124059076 /nfs/dbraw/zinc/05/90/76/1124059076.db2.gz GTRMZKURSBRXQI-QGZVFWFLSA-N 0 1 269.392 3.580 20 0 CHADMN CC(C)[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccccn1 ZINC000866376091 1124059513 /nfs/dbraw/zinc/05/95/13/1124059513.db2.gz RPMXEZYHGYZDSV-UMVBOHGHSA-N 0 1 250.361 3.649 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2csc(N(C)C3CC3)n2)C1 ZINC000444750369 1124059938 /nfs/dbraw/zinc/05/99/38/1124059938.db2.gz BSURLILWHCASAZ-ZDUSSCGKSA-N 0 1 293.480 3.610 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccnc(Cl)c1 ZINC000866449774 1124066907 /nfs/dbraw/zinc/06/69/07/1124066907.db2.gz HOUSHOIZSBOOLR-ADEWGFFLSA-N 0 1 256.752 3.666 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1cc2cnccc2o1 ZINC000866452172 1124067773 /nfs/dbraw/zinc/06/77/73/1124067773.db2.gz YAHNVFQIGPAXHM-KGYLQXTDSA-N 0 1 262.328 3.759 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CCC[C@@H]1c1cccn1C ZINC000428381726 1124067842 /nfs/dbraw/zinc/06/78/42/1124067842.db2.gz NJCIHZCDXXYXAP-OAHLLOKOSA-N 0 1 287.407 3.782 20 0 CHADMN CC(C)OCCCN(C)Cc1cc(F)ccc1Cl ZINC000445814393 1124101647 /nfs/dbraw/zinc/10/16/47/1124101647.db2.gz WRXDYLMYLCAGDM-UHFFFAOYSA-N 0 1 273.779 3.726 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CCC[C@H]1c1cccn1C ZINC000428381724 1124068523 /nfs/dbraw/zinc/06/85/23/1124068523.db2.gz NJCIHZCDXXYXAP-HNNXBMFYSA-N 0 1 287.407 3.782 20 0 CHADMN Cc1nccnc1CN[C@H](c1ccccc1)C1CCCC1 ZINC000621331894 1129164244 /nfs/dbraw/zinc/16/42/44/1129164244.db2.gz SGCSMMHPJCNKFS-GOSISDBHSA-N 0 1 281.403 3.806 20 0 CHADMN C(CC1CCCC1)c1nnc(SC2CCCC2)[nH]1 ZINC000508513147 1124069793 /nfs/dbraw/zinc/06/97/93/1124069793.db2.gz ODQAPKULKHVANL-UHFFFAOYSA-N 0 1 265.426 3.962 20 0 CHADMN C(CC1CCCC1)c1n[nH]c(SC2CCCC2)n1 ZINC000508513147 1124069796 /nfs/dbraw/zinc/06/97/96/1124069796.db2.gz ODQAPKULKHVANL-UHFFFAOYSA-N 0 1 265.426 3.962 20 0 CHADMN c1ccc2c(c1)SC[C@H]2NCc1cccc2c1CCOC2 ZINC000866477743 1124070232 /nfs/dbraw/zinc/07/02/32/1124070232.db2.gz BHKOJDWFNGQJRA-QGZVFWFLSA-N 0 1 297.423 3.696 20 0 CHADMN Cc1ccc(C)c([C@@H]2CCCN2Cc2n[nH]c(C(C)C)n2)c1 ZINC000428387884 1124073150 /nfs/dbraw/zinc/07/31/50/1124073150.db2.gz ZDKNJNNHNCXOBU-INIZCTEOSA-N 0 1 298.434 3.882 20 0 CHADMN Cc1ccccc1[C@H](NCc1nccnc1C)C(C)(C)C ZINC000621339578 1129165251 /nfs/dbraw/zinc/16/52/51/1129165251.db2.gz DQVGCBWYDXTUFU-KRWDZBQOSA-N 0 1 283.419 3.970 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H]2CC=CC[C@H]2C(F)(F)F)cs1 ZINC000866611064 1124087883 /nfs/dbraw/zinc/08/78/83/1124087883.db2.gz YXBQENOAXHJFBT-FBIMIBRVSA-N 0 1 290.354 3.999 20 0 CHADMN CSc1ccc([C@H](C)N[C@H](C)c2ccnn2C)cc1F ZINC000866612718 1124088083 /nfs/dbraw/zinc/08/80/83/1124088083.db2.gz MPHCLJBHZQXQQG-WDEREUQCSA-N 0 1 293.411 3.693 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccnn1C)c1cc(C)ccc1OC ZINC000866614617 1124089484 /nfs/dbraw/zinc/08/94/84/1124089484.db2.gz OLRJXMFXMSWRCD-DZGCQCFKSA-N 0 1 287.407 3.539 20 0 CHADMN C[C@H](N[C@@H]1CCCc2cccnc21)c1cc2cnccc2o1 ZINC000866619745 1124090123 /nfs/dbraw/zinc/09/01/23/1124090123.db2.gz HYRYGAJMPMDVPM-SWLSCSKDSA-N 0 1 293.370 3.951 20 0 CHADMN Cc1cncc([C@@H](C)N[C@H](C)c2cc3cnccc3o2)c1 ZINC000866621499 1124090154 /nfs/dbraw/zinc/09/01/54/1124090154.db2.gz SDRPCALEVFVCCW-CHWSQXEVSA-N 0 1 281.359 3.943 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](C)c2cc3cnccc3o2)c(C)n1 ZINC000866621213 1124090445 /nfs/dbraw/zinc/09/04/45/1124090445.db2.gz PJCKBDJGSVQLAP-JQWIXIFHSA-N 0 1 296.374 3.646 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cccc(F)c1F ZINC000631754246 1124095395 /nfs/dbraw/zinc/09/53/95/1124095395.db2.gz CDGCBKAXBHTFFM-SKWCMTHISA-N 0 1 265.225 3.566 20 0 CHADMN CCCN(Cc1cnoc1C)[C@@H](C)c1ccccc1OC ZINC000445801774 1124101116 /nfs/dbraw/zinc/10/11/16/1124101116.db2.gz IIFVPRIWADMUHU-ZDUSSCGKSA-N 0 1 288.391 3.965 20 0 CHADMN c1ncn(Cc2ccccc2)c1CN1CCC[C@H]2CCC[C@H]21 ZINC000445811638 1124102024 /nfs/dbraw/zinc/10/20/24/1124102024.db2.gz RPARUNKTYBUKQU-IEBWSBKVSA-N 0 1 295.430 3.696 20 0 CHADMN Fc1ccccc1-n1ccc(CN2CCC[C@H]3CCC[C@@H]32)n1 ZINC000445811652 1124102111 /nfs/dbraw/zinc/10/21/11/1124102111.db2.gz RSQHXPYZOCBDIP-PBHICJAKSA-N 0 1 299.393 3.776 20 0 CHADMN CCc1nc(C)c(CN2Cc3ccccc3C[C@H]2CC)o1 ZINC000428419740 1124104086 /nfs/dbraw/zinc/10/40/86/1124104086.db2.gz FNDDXOKSAXPLBX-MRXNPFEDSA-N 0 1 284.403 3.882 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CCCC3(CCCC3)C2)n1 ZINC000445845809 1124105132 /nfs/dbraw/zinc/10/51/32/1124105132.db2.gz ZUCMKHQYHMRYOR-CYBMUJFWSA-N 0 1 277.412 3.910 20 0 CHADMN Cc1cccc(NC(=O)CN2CCCC3(CCCC3)C2)c1 ZINC000445867387 1124106017 /nfs/dbraw/zinc/10/60/17/1124106017.db2.gz VLFCVXOBFVEIGS-UHFFFAOYSA-N 0 1 286.419 3.590 20 0 CHADMN CC1(C)CCCCN(Cc2nc(-c3cccs3)no2)C1 ZINC000446072121 1124109301 /nfs/dbraw/zinc/10/93/01/1124109301.db2.gz SSANHFHQSOVWBZ-UHFFFAOYSA-N 0 1 291.420 3.810 20 0 CHADMN CCc1nc(C)c(CN2C[C@@H](C)C[C@@H]2c2cccnc2)o1 ZINC000428432407 1124109712 /nfs/dbraw/zinc/10/97/12/1124109712.db2.gz YRURQAFATMOKAF-SWLSCSKDSA-N 0 1 285.391 3.524 20 0 CHADMN COc1cc2nc(-c3cc(F)c(O)c(F)c3)[nH]c2cc1C ZINC000446149148 1124110015 /nfs/dbraw/zinc/11/00/15/1124110015.db2.gz ZGGUADQUJKRVJL-UHFFFAOYSA-N 0 1 290.269 3.531 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2cccc(Cl)c2)C1 ZINC000086783950 1129166779 /nfs/dbraw/zinc/16/67/79/1129166779.db2.gz RJHMOMXZSNRYBQ-LRDDRELGSA-N 0 1 295.810 3.978 20 0 CHADMN CCC1(CC)CN(Cc2scnc2C2CC2)C1 ZINC000459601793 1124111847 /nfs/dbraw/zinc/11/18/47/1124111847.db2.gz ZPRKNYKQPRXPRL-UHFFFAOYSA-N 0 1 250.411 3.643 20 0 CHADMN C[C@H](NC[C@H]1CC[C@H](c2ccccc2)O1)c1nccs1 ZINC000367319309 1124114344 /nfs/dbraw/zinc/11/43/44/1124114344.db2.gz VAMXWESEZSEJIL-NWANDNLSSA-N 0 1 288.416 3.714 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1c(C)noc1C(C)C ZINC000928787864 1124115896 /nfs/dbraw/zinc/11/58/96/1124115896.db2.gz QEUGNGDSRVUWMT-UHFFFAOYSA-N 0 1 295.427 3.557 20 0 CHADMN Cc1cc(Cl)cc(CN2CCSC[C@H]2C)c1 ZINC000508569153 1124116567 /nfs/dbraw/zinc/11/65/67/1124116567.db2.gz MZJOQUZDFPDWRK-LLVKDONJSA-N 0 1 255.814 3.586 20 0 CHADMN Cc1ccc(CCCSCc2n[nH]c(C3CC3)n2)cc1 ZINC000446696785 1124118772 /nfs/dbraw/zinc/11/87/72/1124118772.db2.gz LHJOKVAPAOZLGV-UHFFFAOYSA-N 0 1 287.432 3.857 20 0 CHADMN COc1cccc2c1CC[C@@H]2N[C@H]1COCc2ccccc21 ZINC000428451095 1124119812 /nfs/dbraw/zinc/11/98/12/1124119812.db2.gz YBQJDPAJXYTGPM-ROUUACIJSA-N 0 1 295.382 3.544 20 0 CHADMN CC[C@H]1CCN([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000446728580 1124120866 /nfs/dbraw/zinc/12/08/66/1124120866.db2.gz KLDOMIZZFTYPFH-MNOVXSKESA-N 0 1 277.393 3.591 20 0 CHADMN CCN(Cc1n[nH]c(C(C)C)n1)Cc1ccc(Cl)cc1 ZINC000428457661 1124126767 /nfs/dbraw/zinc/12/67/67/1124126767.db2.gz AEVYBFFBBBXVTR-UHFFFAOYSA-N 0 1 292.814 3.604 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2csc(-c3ccco3)n2)C1 ZINC000525423371 1124127726 /nfs/dbraw/zinc/12/77/26/1124127726.db2.gz SRGAEAKLVSCKSI-GHMZBOCLSA-N 0 1 262.378 3.633 20 0 CHADMN CC(C)[C@H]1CN(C(=O)c2c[nH]nc2C2CC2)c2ccccc21 ZINC000446920346 1124128364 /nfs/dbraw/zinc/12/83/64/1124128364.db2.gz LSYVNEHVCACDMN-OAHLLOKOSA-N 0 1 295.386 3.687 20 0 CHADMN CCc1nc(C)c(CN(C)[C@@H](C)c2ccc(OC)cc2)o1 ZINC000428467905 1124131997 /nfs/dbraw/zinc/13/19/97/1124131997.db2.gz BRHAJAOZPZUAJU-ZDUSSCGKSA-N 0 1 288.391 3.747 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(Cl)c(Cl)c1 ZINC000237489059 1124132327 /nfs/dbraw/zinc/13/23/27/1124132327.db2.gz QOQAJAORMMNCTE-SECBINFHSA-N 0 1 298.217 3.886 20 0 CHADMN CCCN(Cc1cc(C(C)(C)C)on1)CC1CC1 ZINC000429711937 1124134390 /nfs/dbraw/zinc/13/43/90/1124134390.db2.gz AHUSREPKLMXEQU-UHFFFAOYSA-N 0 1 250.386 3.594 20 0 CHADMN CN(Cc1cc(C(C)(C)C)on1)C1CCCCC1 ZINC000429709796 1124134488 /nfs/dbraw/zinc/13/44/88/1124134488.db2.gz SBQUBCSDGWEDOP-UHFFFAOYSA-N 0 1 250.386 3.737 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(C)co2)cc1F ZINC000718095104 1129171489 /nfs/dbraw/zinc/17/14/89/1129171489.db2.gz RJQLZTIERTXEJF-LLVKDONJSA-N 0 1 263.312 3.587 20 0 CHADMN FC(F)[C@@H](NCCC[C@H]1CCOC1)C1CCCCC1 ZINC000621401013 1129173176 /nfs/dbraw/zinc/17/31/76/1129173176.db2.gz ZEMUUQGYYMHMEA-JSGCOSHPSA-N 0 1 275.383 3.607 20 0 CHADMN CC(C)OCCCN[C@H](C(F)F)C1CCCCC1 ZINC000621404610 1129173608 /nfs/dbraw/zinc/17/36/08/1129173608.db2.gz ZBZSHBHPXSPUPB-ZDUSSCGKSA-N 0 1 263.372 3.605 20 0 CHADMN COCCCCCN[C@H](C(F)F)C1CCCCC1 ZINC000621404334 1129173798 /nfs/dbraw/zinc/17/37/98/1129173798.db2.gz PIWWHNWSTPZTII-ZDUSSCGKSA-N 0 1 263.372 3.607 20 0 CHADMN Cc1ncc(CNCc2cccc(Cl)c2C)s1 ZINC001118989393 1131245001 /nfs/dbraw/zinc/24/50/01/1131245001.db2.gz AVRXBOLBFDSGMD-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN Cc1cc(F)cc(CN(C)CCc2ccccn2)c1Cl ZINC001238775677 1131245241 /nfs/dbraw/zinc/24/52/41/1131245241.db2.gz CSJGANRMDKOQKA-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@H]3O[C@@H](C)C[C@H]3C2)c1Cl ZINC001238776174 1131245450 /nfs/dbraw/zinc/24/54/50/1131245450.db2.gz DPULHCAAYZHGOZ-SLEUVZQESA-N 0 1 297.801 3.787 20 0 CHADMN Cc1cc(F)cc(CN2CC3CC(C3)C2)c1Cl ZINC001238782870 1131245696 /nfs/dbraw/zinc/24/56/96/1131245696.db2.gz AKDNHFMBQJLJGH-UHFFFAOYSA-N 0 1 253.748 3.629 20 0 CHADMN O=c1cc(C2CCC2)[nH]n1C1CCC(F)(F)CC1 ZINC001245922453 1131246546 /nfs/dbraw/zinc/24/65/46/1131246546.db2.gz FWTQEZQARAHWLC-UHFFFAOYSA-N 0 1 256.296 3.607 20 0 CHADMN CC1CC(NCc2cc(-c3ccc(F)cc3F)on2)C1 ZINC001119249447 1131247711 /nfs/dbraw/zinc/24/77/11/1131247711.db2.gz ZFZMJFUHZCVQML-UHFFFAOYSA-N 0 1 278.302 3.508 20 0 CHADMN CC(C)c1ccccc1-c1ccnc(N2CCN(C)CC2)c1 ZINC001238823234 1131249362 /nfs/dbraw/zinc/24/93/62/1131249362.db2.gz VYSSAXBLTJSYQW-UHFFFAOYSA-N 0 1 295.430 3.624 20 0 CHADMN CC(C)Oc1cc(CN2[C@H](C)CCC[C@H]2C)c(F)cn1 ZINC001238794299 1131250121 /nfs/dbraw/zinc/25/01/21/1131250121.db2.gz OYMYSWGXFOQOMS-CHWSQXEVSA-N 0 1 280.387 3.771 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1NC[C@@H](O)C1CC1 ZINC000819483354 1131251168 /nfs/dbraw/zinc/25/11/68/1131251168.db2.gz VRKPSSNRDILJOW-GOSISDBHSA-N 0 1 288.435 3.558 20 0 CHADMN CC[C@H](C)n1[nH]c(Cc2cc(F)c(F)cc2F)cc1=O ZINC001245931078 1131252597 /nfs/dbraw/zinc/25/25/97/1131252597.db2.gz TYSXENJOSWPPGF-QMMMGPOBSA-N 0 1 284.281 3.568 20 0 CHADMN Cc1ccc(-n2[nH]c(C(C)(C)C)cc2=O)c(Cl)c1 ZINC001245929332 1131253123 /nfs/dbraw/zinc/25/31/23/1131253123.db2.gz KJFGLVZYBKZUJL-UHFFFAOYSA-N 0 1 264.756 3.837 20 0 CHADMN CC(C)(C)c1nc2nc[nH]c2c(-c2ccc(C3CC3)nc2)n1 ZINC001238849652 1131256171 /nfs/dbraw/zinc/25/61/71/1131256171.db2.gz HIOYHMDXLYVEJO-UHFFFAOYSA-N 0 1 293.374 3.541 20 0 CHADMN CN(C)Cc1cc(-c2ccc(C3CC3)nc2)ccc1F ZINC001238855460 1131258619 /nfs/dbraw/zinc/25/86/19/1131258619.db2.gz YNZGELZLDDOZHR-UHFFFAOYSA-N 0 1 270.351 3.827 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000525636676 1124450736 /nfs/dbraw/zinc/45/07/36/1124450736.db2.gz HYNYSINSEWBFDC-MXWKQRLJSA-N 0 1 251.320 3.614 20 0 CHADMN CO[C@H]1CN(Cc2ccc(C)cc2Cl)CC[C@@H]1C ZINC000447273364 1124458398 /nfs/dbraw/zinc/45/83/98/1124458398.db2.gz UZLUCYXQELBBHI-WFASDCNBSA-N 0 1 267.800 3.505 20 0 CHADMN CCc1nc(C)c(CN2CC[C@@H](C(F)(F)F)C2(C)C)o1 ZINC000428476523 1124459421 /nfs/dbraw/zinc/45/94/21/1124459421.db2.gz FIADXWFDQQSIEI-LLVKDONJSA-N 0 1 290.329 3.708 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CCC(Cc2cccnc2)CC1 ZINC000930171964 1124462342 /nfs/dbraw/zinc/46/23/42/1124462342.db2.gz YUOLOWKXTGAXGY-CQSZACIVSA-N 0 1 299.393 3.631 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@@H]2CCSC2)c(Cl)c1 ZINC000447305732 1124464212 /nfs/dbraw/zinc/46/42/12/1124464212.db2.gz MRCMBZOEMORFTE-GFCCVEGCSA-N 0 1 255.814 3.586 20 0 CHADMN Cc1ccc(CN(C)[C@@H]2CCSC2)c(Cl)c1 ZINC000447305732 1124464215 /nfs/dbraw/zinc/46/42/15/1124464215.db2.gz MRCMBZOEMORFTE-GFCCVEGCSA-N 0 1 255.814 3.586 20 0 CHADMN Cc1ccc2nc(SC[C@@H]3CCO[C@H](C)C3)[nH]c2c1 ZINC000447305928 1124465096 /nfs/dbraw/zinc/46/50/96/1124465096.db2.gz NTNUOZTYVZZFCP-VXGBXAGGSA-N 0 1 276.405 3.779 20 0 CHADMN Cc1ccc(C[N@@H+](C)C[C@@H]2CCCOC2)c(Cl)c1 ZINC000447343779 1124467698 /nfs/dbraw/zinc/46/76/98/1124467698.db2.gz PHHZZUNNVMVNKB-ZDUSSCGKSA-N 0 1 267.800 3.507 20 0 CHADMN CC(C)Cc1noc(CN(C)[C@@H](C)C2CCCCC2)n1 ZINC000447393801 1124469662 /nfs/dbraw/zinc/46/96/62/1124469662.db2.gz KNISYJSOZSKQCM-ZDUSSCGKSA-N 0 1 279.428 3.669 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@H]3C)c2C)o1 ZINC000868858016 1124488727 /nfs/dbraw/zinc/48/87/27/1124488727.db2.gz GZGBIURHACSPKJ-HUXSOILUSA-N 0 1 299.374 3.517 20 0 CHADMN Cc1coc(CN[C@H](C)c2ccc(-n3cccn3)c(F)c2)c1 ZINC001202527689 1124503461 /nfs/dbraw/zinc/50/34/61/1124503461.db2.gz FBRBNLKZYVXIHP-CYBMUJFWSA-N 0 1 299.349 3.764 20 0 CHADMN C[C@@H](CN[C@@H](C)c1ccon1)c1cccc(Cl)c1 ZINC000526115995 1124508923 /nfs/dbraw/zinc/50/89/23/1124508923.db2.gz XNZQTEYTVZBGLT-QWRGUYRKSA-N 0 1 264.756 3.782 20 0 CHADMN CCCN(Cc1cnc(C(F)(F)F)s1)C1CC1 ZINC000447795284 1124525652 /nfs/dbraw/zinc/52/56/52/1124525652.db2.gz MZRFADADMCEVQP-UHFFFAOYSA-N 0 1 264.316 3.536 20 0 CHADMN Fc1ccc(Oc2ccc(CNCC3(F)CC3)cn2)cc1 ZINC000526974580 1124536063 /nfs/dbraw/zinc/53/60/63/1124536063.db2.gz ZTMNAYBIOULFBD-UHFFFAOYSA-N 0 1 290.313 3.605 20 0 CHADMN CCOc1cc(CN2[C@@H](C)C[C@@H]2C)ccc1OC(F)F ZINC000526989302 1124539191 /nfs/dbraw/zinc/53/91/91/1124539191.db2.gz ICRXRCRHZPJLNU-QWRGUYRKSA-N 0 1 285.334 3.669 20 0 CHADMN COc1ccc([C@@H](C)[C@H](C)Nc2ccc3nn[nH]c3c2)cc1 ZINC000526988836 1124539580 /nfs/dbraw/zinc/53/95/80/1124539580.db2.gz LESJTAFTSZKFPJ-RYUDHWBXSA-N 0 1 296.374 3.571 20 0 CHADMN COc1ccc([C@@H](C)[C@H](C)Nc2ccc3n[nH]nc3c2)cc1 ZINC000526988836 1124539591 /nfs/dbraw/zinc/53/95/91/1124539591.db2.gz LESJTAFTSZKFPJ-RYUDHWBXSA-N 0 1 296.374 3.571 20 0 CHADMN COc1cc(NCc2ccc3nc[nH]c3c2)c(C)cc1C ZINC000526994815 1124542049 /nfs/dbraw/zinc/54/20/49/1124542049.db2.gz AZFUAGUNANWMII-UHFFFAOYSA-N 0 1 281.359 3.800 20 0 CHADMN CC(C)Oc1cnc(F)c(-c2cccc3nc[nH]c32)c1 ZINC001238893589 1131267374 /nfs/dbraw/zinc/26/73/74/1131267374.db2.gz SEEFUXXNBMSNER-UHFFFAOYSA-N 0 1 271.295 3.551 20 0 CHADMN Cc1nc2cccc(-c3cc(OC(C)C)cnc3F)c2[nH]1 ZINC001238898042 1131268531 /nfs/dbraw/zinc/26/85/31/1131268531.db2.gz HQAXATABWXCMPD-UHFFFAOYSA-N 0 1 285.322 3.860 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)CCC2(C)CC2)c1 ZINC000819978121 1131270309 /nfs/dbraw/zinc/27/03/09/1131270309.db2.gz MUWZNXXQXRBXEO-UHFFFAOYSA-N 0 1 275.348 3.504 20 0 CHADMN CC[C@@H](C)CCCCC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC001153735827 1124587029 /nfs/dbraw/zinc/58/70/29/1124587029.db2.gz XDWCQLHBJNELRW-LLVKDONJSA-N 0 1 278.400 3.617 20 0 CHADMN CC[C@@H](C)CCCCC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC001153735827 1124587035 /nfs/dbraw/zinc/58/70/35/1124587035.db2.gz XDWCQLHBJNELRW-LLVKDONJSA-N 0 1 278.400 3.617 20 0 CHADMN CC[C@H]1CCC[C@H]1C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000448622694 1124599587 /nfs/dbraw/zinc/59/95/87/1124599587.db2.gz AWSAWZIKWDKVKZ-WCQYABFASA-N 0 1 271.364 3.636 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000871621962 1124620309 /nfs/dbraw/zinc/62/03/09/1124620309.db2.gz UREAVJLQPUGDHY-JYJNAYRXSA-N 0 1 279.424 3.556 20 0 CHADMN CC[C@@H](C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000871620630 1124620501 /nfs/dbraw/zinc/62/05/01/1124620501.db2.gz HFMQERQUWQKQTP-HOTGVXAUSA-N 0 1 289.419 3.757 20 0 CHADMN COc1cc(C)ccc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000448992315 1124628908 /nfs/dbraw/zinc/62/89/08/1124628908.db2.gz KSVDPCSSHCFIOH-MRXNPFEDSA-N 0 1 270.376 3.669 20 0 CHADMN CN(CCCCc1ccccc1)Cc1ccncc1F ZINC000449013629 1124630343 /nfs/dbraw/zinc/63/03/43/1124630343.db2.gz DOUCRKVOXKNEAQ-UHFFFAOYSA-N 0 1 272.367 3.675 20 0 CHADMN COc1cc(C)ccc1CN1CCC[C@@H]1c1cc(C)no1 ZINC000449014536 1124630325 /nfs/dbraw/zinc/63/03/25/1124630325.db2.gz IQGBZHXLOGISMT-OAHLLOKOSA-N 0 1 286.375 3.637 20 0 CHADMN COc1cc(F)cc(CN2CCC[C@H]2c2cccn2C)c1 ZINC000449009282 1124632719 /nfs/dbraw/zinc/63/27/19/1124632719.db2.gz UPZUMAMTFUMGEE-KRWDZBQOSA-N 0 1 288.366 3.510 20 0 CHADMN c1cc(CN2CC[C@@H]2Cc2ccccc2)n(C2CCCC2)n1 ZINC000449027526 1124634272 /nfs/dbraw/zinc/63/42/72/1124634272.db2.gz IXAVIHWAEMIQBB-GOSISDBHSA-N 0 1 295.430 3.815 20 0 CHADMN Cc1cccc(CN2CCC(C(F)F)CC2)c1F ZINC000449027648 1124634849 /nfs/dbraw/zinc/63/48/49/1124634849.db2.gz JLCXHHFSTHMMMA-UHFFFAOYSA-N 0 1 257.299 3.611 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccncc1F ZINC000449028593 1124635170 /nfs/dbraw/zinc/63/51/70/1124635170.db2.gz LWJSZBKAXHPDJI-CZUORRHYSA-N 0 1 270.351 3.599 20 0 CHADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccncc1F ZINC000449030906 1124635647 /nfs/dbraw/zinc/63/56/47/1124635647.db2.gz STCYONXSMONZFW-IUODEOHRSA-N 0 1 288.341 3.738 20 0 CHADMN C[C@@H](NCc1ccncc1F)c1cccc(OC(F)F)c1 ZINC000449083836 1124643410 /nfs/dbraw/zinc/64/34/10/1124643410.db2.gz VSMJGDJKSHWZFE-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN C[C@@H](NCc1ccncc1F)c1ccc(OC(F)F)cc1 ZINC000449077228 1124645196 /nfs/dbraw/zinc/64/51/96/1124645196.db2.gz YGZPHJSCAJPNNZ-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2NCc1ccnn1C1CCCC1 ZINC000449096639 1124646795 /nfs/dbraw/zinc/64/67/95/1124646795.db2.gz JEHHEIMFGLPXPQ-SFHVURJKSA-N 0 1 299.393 3.914 20 0 CHADMN c1nc(C2CC2)c(CNc2ccc3c(n2)CCCC3)s1 ZINC000871865230 1124648917 /nfs/dbraw/zinc/64/89/17/1124648917.db2.gz GTLSQQPGHGBPCI-UHFFFAOYSA-N 0 1 285.416 3.906 20 0 CHADMN COc1ccc(C2(NCc3csc(C)c3)CC2)cc1 ZINC000449120132 1124651799 /nfs/dbraw/zinc/65/17/99/1124651799.db2.gz BUQGGTLAGDXIGW-UHFFFAOYSA-N 0 1 273.401 3.844 20 0 CHADMN C[C@H](c1ccccc1)n1[nH]c(C2CCCC2)cc1=O ZINC000871949374 1124654402 /nfs/dbraw/zinc/65/44/02/1124654402.db2.gz YPFOSUZBRCWMHY-GFCCVEGCSA-N 0 1 256.349 3.526 20 0 CHADMN CCCCC1=NN([C@@H]2CCOC3(CCCC3)C2)C(=O)[C@H]1C ZINC000871963702 1124655551 /nfs/dbraw/zinc/65/55/51/1124655551.db2.gz KTRGSXVTOCGNNJ-UONOGXRCSA-N 0 1 292.423 3.503 20 0 CHADMN CCCCc1[nH]n([C@@H]2CCOC3(CCCC3)C2)c(=O)c1C ZINC000871963702 1124655553 /nfs/dbraw/zinc/65/55/53/1124655553.db2.gz KTRGSXVTOCGNNJ-UONOGXRCSA-N 0 1 292.423 3.503 20 0 CHADMN Cc1ccccc1[C@H](NCc1ccncc1F)C1CC1 ZINC000449142200 1124655843 /nfs/dbraw/zinc/65/58/43/1124655843.db2.gz SHOBPSHDYXURCF-QGZVFWFLSA-N 0 1 270.351 3.770 20 0 CHADMN CC[C@@H](C)[C@H](O)CNCc1cc(Cl)sc1Cl ZINC000449149942 1124657078 /nfs/dbraw/zinc/65/70/78/1124657078.db2.gz YBWPLJKRWKIMNN-VXNVDRBHSA-N 0 1 282.236 3.552 20 0 CHADMN CC(C)N(CCc1nccs1)Cc1ncccc1Cl ZINC000528418134 1124658170 /nfs/dbraw/zinc/65/81/70/1124658170.db2.gz CKXGGJIUURMUKE-UHFFFAOYSA-N 0 1 295.839 3.645 20 0 CHADMN C/C(Cl)=C\CN(C)[C@@H]1CCCc2nc(C)sc21 ZINC000528420486 1124661815 /nfs/dbraw/zinc/66/18/15/1124661815.db2.gz VKHFGKTWKTYUFJ-YPUOHESYSA-N 0 1 270.829 3.903 20 0 CHADMN COc1cc([C@H](C)NC/C=C(\C)Cl)cc(OC)c1OC ZINC000528435994 1124665828 /nfs/dbraw/zinc/66/58/28/1124665828.db2.gz XFBPQKUQJCILHG-RUYJGKKWSA-N 0 1 299.798 3.506 20 0 CHADMN Cc1cc(CN[C@H]2CC(C)(C)Sc3ccccc32)ncn1 ZINC000872050548 1124666647 /nfs/dbraw/zinc/66/66/47/1124666647.db2.gz BWEWWXMZOHIVEA-HNNXBMFYSA-N 0 1 299.443 3.890 20 0 CHADMN C[C@H](CC(C)(C)C)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000449275886 1124681544 /nfs/dbraw/zinc/68/15/44/1124681544.db2.gz ABFJNJDVQCRYQD-GHMZBOCLSA-N 0 1 267.417 3.842 20 0 CHADMN Cc1ccc2sc(CN(C(C)C)[C@@H]3CCOC3)nc2c1 ZINC000528508276 1124684592 /nfs/dbraw/zinc/68/45/92/1124684592.db2.gz HRXADUMJMNWOOR-CYBMUJFWSA-N 0 1 290.432 3.604 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(C(C)(C)C)s2)n(C)n1 ZINC000872107290 1124685148 /nfs/dbraw/zinc/68/51/48/1124685148.db2.gz ORZXERHWQPKSQD-GFCCVEGCSA-N 0 1 291.464 3.938 20 0 CHADMN Cc1ccccc1-c1ccccc1CN1CC[C@](F)(CO)C1 ZINC000449308864 1124688513 /nfs/dbraw/zinc/68/85/13/1124688513.db2.gz AEMLYERFBQCLOX-LJQANCHMSA-N 0 1 299.389 3.568 20 0 CHADMN FC(F)(F)[C@@H]1CCCC[C@@H]1NCc1ncccc1Cl ZINC000528533060 1124688655 /nfs/dbraw/zinc/68/86/55/1124688655.db2.gz DKZMRUZXWITAQG-KOLCDFICSA-N 0 1 292.732 3.946 20 0 CHADMN Cc1cc2c(c(C)c1)[C@H](N[C@H](C)c1nccnc1C)CC2 ZINC000872129756 1124690367 /nfs/dbraw/zinc/69/03/67/1124690367.db2.gz BJGFKGPIFYULLJ-GDBMZVCRSA-N 0 1 281.403 3.740 20 0 CHADMN COc1cc(C)c([C@H](C)N[C@@H](C)c2nccnc2C)cc1C ZINC000872133495 1124692701 /nfs/dbraw/zinc/69/27/01/1124692701.db2.gz NDYJPBICLLZNNR-ZFWWWQNUSA-N 0 1 299.418 3.822 20 0 CHADMN CC[C@H](N[C@@H](C)c1nccnc1C)c1ccsc1 ZINC000872132990 1124692728 /nfs/dbraw/zinc/69/27/28/1124692728.db2.gz JBIPXMLUUUJXGX-AAEUAGOBSA-N 0 1 261.394 3.648 20 0 CHADMN CC[C@H](N[C@H](C)c1nccnc1C)c1ccc2c(c1)CCO2 ZINC000872133817 1124692817 /nfs/dbraw/zinc/69/28/17/1124692817.db2.gz OTJXVEQENOHVSU-CJNGLKHVSA-N 0 1 297.402 3.522 20 0 CHADMN CN(C)Cc1ccc(-c2cccc(Cl)c2F)nc1 ZINC001238956054 1131277557 /nfs/dbraw/zinc/27/75/57/1131277557.db2.gz QFFIHDVTJVLTLS-UHFFFAOYSA-N 0 1 264.731 3.603 20 0 CHADMN CC[C@@H](N[C@H](C)c1nccnc1C)c1cccc(C)c1 ZINC000872134616 1124694117 /nfs/dbraw/zinc/69/41/17/1124694117.db2.gz SQGLBIQTHBDTNY-GDBMZVCRSA-N 0 1 269.392 3.895 20 0 CHADMN Cc1cccc(-c2n[nH]cc2CN2CCC[C@@](C)(F)C2)c1 ZINC000449347067 1124695745 /nfs/dbraw/zinc/69/57/45/1124695745.db2.gz BDTSKVMGRXMYRP-QGZVFWFLSA-N 0 1 287.382 3.709 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])cs2)[C@@H]2CCCC[C@H]12 ZINC000872157138 1124695792 /nfs/dbraw/zinc/69/57/92/1124695792.db2.gz LPJWNDDAVHPPRU-KCPJHIHWSA-N 0 1 293.432 3.847 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000872156533 1124696118 /nfs/dbraw/zinc/69/61/18/1124696118.db2.gz BJVJCVYARHUYMI-LBPRGKRZSA-N 0 1 289.400 3.682 20 0 CHADMN C[C@H](C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21)CC(C)(C)C ZINC000872161418 1124696509 /nfs/dbraw/zinc/69/65/09/1124696509.db2.gz SWAKDEFLEKUFRR-AJNGGQMLSA-N 0 1 281.440 3.634 20 0 CHADMN CC1(C)[C@H](c2cccc(Cl)c2)CC[N@H+]1CCCC(=O)[O-] ZINC000872168733 1124696560 /nfs/dbraw/zinc/69/65/60/1124696560.db2.gz XPNYBWOJGSFZBA-AWEZNQCLSA-N 0 1 295.810 3.773 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000872159551 1124696749 /nfs/dbraw/zinc/69/67/49/1124696749.db2.gz WDAZLIZRDNFABZ-RISCZKNCSA-N 0 1 281.421 3.847 20 0 CHADMN CCc1nocc1CN[C@H]1CCCc2c(F)cccc21 ZINC000449349858 1124697069 /nfs/dbraw/zinc/69/70/69/1124697069.db2.gz KNMOYMXMIBGPDC-INIZCTEOSA-N 0 1 274.339 3.543 20 0 CHADMN CCC(CC)[N@@H+](Cc1ccc(C)c(C(=O)[O-])c1)C1CC1 ZINC000872157576 1124697181 /nfs/dbraw/zinc/69/71/81/1124697181.db2.gz SGOSRUKBNFOKDH-UHFFFAOYSA-N 0 1 275.392 3.846 20 0 CHADMN FC1(F)CC12C[C@H]1CC[C@@H](C2)N1Cc1ccc(Cl)cn1 ZINC000528585853 1124698015 /nfs/dbraw/zinc/69/80/15/1124698015.db2.gz VVNVRKVLXMKAMO-PBWFPOADSA-N 0 1 298.764 3.887 20 0 CHADMN C[C@]1(F)CCCN(Cc2ccc(OC(F)F)cc2)C1 ZINC000449352064 1124698357 /nfs/dbraw/zinc/69/83/57/1124698357.db2.gz SBNNCFYRJXYANN-AWEZNQCLSA-N 0 1 273.298 3.612 20 0 CHADMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](Cc1ccc3ccccc3c1)CC2 ZINC000872170690 1124698483 /nfs/dbraw/zinc/69/84/83/1124698483.db2.gz FEGGRHBPHVXNDD-MJGOQNOKSA-N 0 1 295.382 3.669 20 0 CHADMN Fc1cccc2c1CCC[C@@H]2NCc1cn2ccccc2n1 ZINC000449351864 1124698454 /nfs/dbraw/zinc/69/84/54/1124698454.db2.gz RJCVVSIDCYFAFI-KRWDZBQOSA-N 0 1 295.361 3.641 20 0 CHADMN c1cc(CN2CC3(CCC3)[C@H]2C2CC2)n(C2CCCC2)n1 ZINC000449337645 1124699120 /nfs/dbraw/zinc/69/91/20/1124699120.db2.gz QNNLWYYDKUEURZ-QGZVFWFLSA-N 0 1 285.435 3.763 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@@H](OC2CCC2)CC1 ZINC000872260009 1124699692 /nfs/dbraw/zinc/69/96/92/1124699692.db2.gz GIYDRRBLRRBZNO-CQSZACIVSA-N 0 1 295.373 3.888 20 0 CHADMN CC(C)(C)c1ncc2c(n1)CCN(CC1=CCCCC1)C2 ZINC000528596793 1124700251 /nfs/dbraw/zinc/70/02/51/1124700251.db2.gz JRMVYFFAWXKKEU-UHFFFAOYSA-N 0 1 285.435 3.633 20 0 CHADMN CC[C@H](N[C@H]1CCC[C@@H](c2cccnc2)C1)C(F)F ZINC000449365686 1124701035 /nfs/dbraw/zinc/70/10/35/1124701035.db2.gz WTZQEKWBXJFJBV-XBFCOCLRSA-N 0 1 268.351 3.741 20 0 CHADMN COc1ccc([C@H](C)[C@H](C)N[C@H](C)C(C)(F)F)cc1 ZINC000449412748 1124730682 /nfs/dbraw/zinc/73/06/82/1124730682.db2.gz GLCYZUZDDJWCKJ-GRYCIOLGSA-N 0 1 271.351 3.821 20 0 CHADMN Cc1nsc(C)c1CN[C@H](c1ccccn1)C1CCC1 ZINC000528660163 1124735047 /nfs/dbraw/zinc/73/50/47/1124735047.db2.gz QCUDVNPKDFTDLV-INIZCTEOSA-N 0 1 287.432 3.786 20 0 CHADMN CC(C)C[C@@]1(C)CCCN1Cc1ccn(C(F)F)n1 ZINC000449431182 1124738129 /nfs/dbraw/zinc/73/81/29/1124738129.db2.gz CXXLSZXISJVUGS-CQSZACIVSA-N 0 1 271.355 3.679 20 0 CHADMN CS[C@@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000449445756 1124739715 /nfs/dbraw/zinc/73/97/15/1124739715.db2.gz LJFRGMWCVQBYBE-LLVKDONJSA-N 0 1 293.329 3.782 20 0 CHADMN c1cc(N2CCCC2)oc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001137067961 1124739935 /nfs/dbraw/zinc/73/99/35/1124739935.db2.gz PKLXUNQETOXVQF-QGZVFWFLSA-N 0 1 297.402 3.612 20 0 CHADMN c1cc(N2CCCC2)oc1CN1CCC[C@@H]1c1ccncc1 ZINC001137067961 1124739939 /nfs/dbraw/zinc/73/99/39/1124739939.db2.gz PKLXUNQETOXVQF-QGZVFWFLSA-N 0 1 297.402 3.612 20 0 CHADMN CCOc1c(Cl)cccc1CN1CC[C@H](SC)C1 ZINC000449445206 1124741212 /nfs/dbraw/zinc/74/12/12/1124741212.db2.gz HRLQAXHAVYMHNF-LBPRGKRZSA-N 0 1 285.840 3.676 20 0 CHADMN Cc1cnccc1CNCc1ccc(C(F)(F)F)s1 ZINC000873154613 1124743782 /nfs/dbraw/zinc/74/37/82/1124743782.db2.gz FTDJQJUXKGQCDO-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CCCc1ccc(CN[C@@H](C)c2nccnc2C)s1 ZINC000873186569 1124747986 /nfs/dbraw/zinc/74/79/86/1124747986.db2.gz RKSURBXJYUYZBP-LBPRGKRZSA-N 0 1 275.421 3.650 20 0 CHADMN C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccc(F)cc1 ZINC000449459753 1124748369 /nfs/dbraw/zinc/74/83/69/1124748369.db2.gz LTTUKSUCBIQHSG-JQWIXIFHSA-N 0 1 275.289 3.989 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2nccnc2C)cc1C ZINC000873188513 1124750021 /nfs/dbraw/zinc/75/00/21/1124750021.db2.gz JFYVHEWZUBIWLQ-OAHLLOKOSA-N 0 1 269.392 3.561 20 0 CHADMN Cc1csc(CNCc2cnc([C@@H]3CCCO3)s2)c1 ZINC000449479021 1124756272 /nfs/dbraw/zinc/75/62/72/1124756272.db2.gz LIGOGGLOAZOVPX-ZDUSSCGKSA-N 0 1 294.445 3.654 20 0 CHADMN CSc1cc(-c2c[nH]cc3nc(C)nc2-3)ccc1F ZINC001238967742 1131281799 /nfs/dbraw/zinc/28/17/99/1131281799.db2.gz SYQYHAAIORCQND-UHFFFAOYSA-N 0 1 273.336 3.794 20 0 CHADMN CSc1cc(-c2cncc3[nH]c(C)nc32)ccc1F ZINC001238967742 1131281804 /nfs/dbraw/zinc/28/18/04/1131281804.db2.gz SYQYHAAIORCQND-UHFFFAOYSA-N 0 1 273.336 3.794 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1cc(N)cc(F)c1 ZINC000873287945 1124762671 /nfs/dbraw/zinc/76/26/71/1124762671.db2.gz PGZKEGFOAZYTHD-GFCCVEGCSA-N 0 1 288.366 3.576 20 0 CHADMN CCOc1cc(C)c(-c2cc(N3CCCCC3)ccn2)cn1 ZINC001238974379 1131282480 /nfs/dbraw/zinc/28/24/80/1131282480.db2.gz XYIYBMCUCVJOEH-UHFFFAOYSA-N 0 1 297.402 3.841 20 0 CHADMN CCO[C@@H]1CC[N@@H+](Cc2cnc(C(C)(C)C)s2)C[C@@H]1C ZINC000449497760 1124770147 /nfs/dbraw/zinc/77/01/47/1124770147.db2.gz ROBSUMVFPXOAOR-GXTWGEPZSA-N 0 1 296.480 3.688 20 0 CHADMN CCO[C@@H]1CCN(Cc2cnc(C(C)(C)C)s2)C[C@@H]1C ZINC000449497760 1124770153 /nfs/dbraw/zinc/77/01/53/1124770153.db2.gz ROBSUMVFPXOAOR-GXTWGEPZSA-N 0 1 296.480 3.688 20 0 CHADMN FC1(F)CCC[C@H]1CNCc1coc(-c2ccccc2)n1 ZINC000449495375 1124771837 /nfs/dbraw/zinc/77/18/37/1124771837.db2.gz OKZZBTQWKBZTPX-ZDUSSCGKSA-N 0 1 292.329 3.867 20 0 CHADMN CCO[C@H]1CCN(Cc2cc(Cl)ccc2OC)C[C@H]1C ZINC000449500163 1124772718 /nfs/dbraw/zinc/77/27/18/1124772718.db2.gz UPRBZKMYZIYRTF-DOMZBBRYSA-N 0 1 297.826 3.596 20 0 CHADMN CCO[C@@H]1CCN(Cc2cc(F)cc(Cl)c2)C[C@H]1C ZINC000449497027 1124774030 /nfs/dbraw/zinc/77/40/30/1124774030.db2.gz JWVGTRYBYBHCHG-IAQYHMDHSA-N 0 1 285.790 3.726 20 0 CHADMN CC(C)n1ccc(-c2ccccc2CN2CCOCC2)c1 ZINC001239069605 1131299811 /nfs/dbraw/zinc/29/98/11/1131299811.db2.gz HEIPDYLWBXWSHZ-UHFFFAOYSA-N 0 1 284.403 3.568 20 0 CHADMN CC(C)n1ccc(-c2ccc(CN(C)C)c(F)c2)c1 ZINC001239079407 1131302160 /nfs/dbraw/zinc/30/21/60/1131302160.db2.gz ZDZOLWYEYICLTD-UHFFFAOYSA-N 0 1 260.356 3.937 20 0 CHADMN CC(C)C[C@H](C)OC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000820784312 1131303463 /nfs/dbraw/zinc/30/34/63/1131303463.db2.gz IICHFUSBLVQNTD-JSGCOSHPSA-N 0 1 298.452 3.512 20 0 CHADMN c1nocc1-c1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC001239189609 1131305162 /nfs/dbraw/zinc/30/51/62/1131305162.db2.gz YPDLTSAGNGAXFL-UHFFFAOYSA-N 0 1 276.339 3.857 20 0 CHADMN c1nocc1-c1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC001239188915 1131305226 /nfs/dbraw/zinc/30/52/26/1131305226.db2.gz QAICAZRIMUFIJQ-UHFFFAOYSA-N 0 1 261.284 3.885 20 0 CHADMN CCn1ccnc1[C@H](C)NC/C=C/c1ccc(F)c(F)c1 ZINC000449567914 1124804950 /nfs/dbraw/zinc/80/49/50/1124804950.db2.gz ZJVRLXRYAWGNRR-ITKZLYELSA-N 0 1 291.345 3.545 20 0 CHADMN CC(C)n1cc(CN(C)C/C=C/c2ccccc2)cn1 ZINC001137080369 1124832264 /nfs/dbraw/zinc/83/22/64/1124832264.db2.gz FLVQWJXERNELGU-JXMROGBWSA-N 0 1 269.392 3.609 20 0 CHADMN CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc(O)c(F)c1 ZINC001204690212 1124843670 /nfs/dbraw/zinc/84/36/70/1124843670.db2.gz MPUXEHNUSOUWCD-WFASDCNBSA-N 0 1 265.372 3.932 20 0 CHADMN CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccc([O-])c(F)c1 ZINC001204690212 1124843680 /nfs/dbraw/zinc/84/36/80/1124843680.db2.gz MPUXEHNUSOUWCD-WFASDCNBSA-N 0 1 265.372 3.932 20 0 CHADMN CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc([O-])c(F)c1 ZINC001204690212 1124843686 /nfs/dbraw/zinc/84/36/86/1124843686.db2.gz MPUXEHNUSOUWCD-WFASDCNBSA-N 0 1 265.372 3.932 20 0 CHADMN Cc1cc(F)ccc1[C@@H]1CCCN1Cc1ccccn1 ZINC000449734594 1124852461 /nfs/dbraw/zinc/85/24/61/1124852461.db2.gz SCJAHVBVADSXRX-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Fc1ccc(CN2CCC[C@@]3(CCSC3)C2)cc1F ZINC000449732686 1124853141 /nfs/dbraw/zinc/85/31/41/1124853141.db2.gz MFIWTWOBBXRQJJ-OAHLLOKOSA-N 0 1 283.387 3.684 20 0 CHADMN CCCn1cc(CN(C)Cc2ccc(C)c(C)c2)cn1 ZINC000449764111 1124873980 /nfs/dbraw/zinc/87/39/80/1124873980.db2.gz YNYRGOOYORNFQS-UHFFFAOYSA-N 0 1 271.408 3.542 20 0 CHADMN CC(C)[C@H]1N(Cc2cn(C)nc2C(F)F)CC12CCCC2 ZINC000449791565 1124875935 /nfs/dbraw/zinc/87/59/35/1124875935.db2.gz PILHVUUUFZGLBO-CQSZACIVSA-N 0 1 297.393 3.758 20 0 CHADMN Cc1ccc2nc(SCc3ccc4nonc4c3)[nH]c2c1 ZINC000821058171 1131317885 /nfs/dbraw/zinc/31/78/85/1131317885.db2.gz ZCOIASAYZMGCFY-UHFFFAOYSA-N 0 1 296.355 3.700 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(CC)Cc1nc(C2CC2)no1 ZINC000120509480 1124946506 /nfs/dbraw/zinc/94/65/06/1124946506.db2.gz WRARLNORWXODQM-INIZCTEOSA-N 0 1 299.418 3.790 20 0 CHADMN Cc1ccoc1CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000120542208 1124948629 /nfs/dbraw/zinc/94/86/29/1124948629.db2.gz PORAPXPCHPBDNW-CQSZACIVSA-N 0 1 291.416 3.831 20 0 CHADMN Fc1ccccc1CN(Cc1ccc2c[nH]nc2c1)C1CC1 ZINC000120561746 1124950165 /nfs/dbraw/zinc/95/01/65/1124950165.db2.gz CXBHZANQZQUUHW-UHFFFAOYSA-N 0 1 295.361 3.867 20 0 CHADMN CCSCCSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000126053752 1124963503 /nfs/dbraw/zinc/96/35/03/1124963503.db2.gz SDJPHKLNJZYULO-UHFFFAOYSA-N 0 1 279.434 3.625 20 0 CHADMN CN(C)c1ccc(F)cc1CN1CCC[C@@H]1c1ccccn1 ZINC000876585850 1124963525 /nfs/dbraw/zinc/96/35/25/1124963525.db2.gz XTKXIDJJUPBIIZ-GOSISDBHSA-N 0 1 299.393 3.624 20 0 CHADMN CCCCC[C@H](NC(=O)c1oc(CN)cc1C)C(C)(C)C ZINC000876662200 1124968146 /nfs/dbraw/zinc/96/81/46/1124968146.db2.gz MMRYBHQMJYIOCU-AWEZNQCLSA-N 0 1 294.439 3.772 20 0 CHADMN CCC[C@H](CC(C)C)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000450296028 1124974413 /nfs/dbraw/zinc/97/44/13/1124974413.db2.gz COOXYGNJXGEILA-QWHCGFSZSA-N 0 1 294.443 3.568 20 0 CHADMN CCC[C@H]1CCC[C@H]1C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000450313697 1124977403 /nfs/dbraw/zinc/97/74/03/1124977403.db2.gz RMAVBYGTGVJFON-UONOGXRCSA-N 0 1 299.418 3.704 20 0 CHADMN COc1ccc(CN(Cc2occc2C)C2CC2)cc1 ZINC000120729120 1124978113 /nfs/dbraw/zinc/97/81/13/1124978113.db2.gz CAQBYCZWLUZMQW-UHFFFAOYSA-N 0 1 271.360 3.761 20 0 CHADMN CCCCN(CC)Cc1ncc(Br)cc1F ZINC000529518154 1124978952 /nfs/dbraw/zinc/97/89/52/1124978952.db2.gz RZITYNBOQZUQLD-UHFFFAOYSA-N 0 1 289.192 3.605 20 0 CHADMN CC1(C)C2CCC1(C(=O)Nc1ccc3nc[nH]c3c1)CC2 ZINC001136430153 1131323317 /nfs/dbraw/zinc/32/33/17/1131323317.db2.gz FGSXEFGXBKZCDT-UHFFFAOYSA-N 0 1 283.375 3.718 20 0 CHADMN CCS[C@H]1CCCCN(Cc2csc(C)n2)C1 ZINC000120800574 1124992869 /nfs/dbraw/zinc/99/28/69/1124992869.db2.gz QVFIZBONDIVRBR-ZDUSSCGKSA-N 0 1 270.467 3.559 20 0 CHADMN Clc1ccc2c(c1)CC[C@@H]2NCc1ccc(Cl)nn1 ZINC000876973457 1124992910 /nfs/dbraw/zinc/99/29/10/1124992910.db2.gz HASSEBDQZNQWLV-ZDUSSCGKSA-N 0 1 294.185 3.561 20 0 CHADMN Cc1cccc(OC[C@@H](C)NCc2nc(Cl)cs2)c1 ZINC000876961052 1124993477 /nfs/dbraw/zinc/99/34/77/1124993477.db2.gz BKEOMQFIQSBTJM-LLVKDONJSA-N 0 1 296.823 3.662 20 0 CHADMN COc1c(C)cnc(CN[C@@H]2CCc3cc(C)ccc32)c1C ZINC000876973940 1124993829 /nfs/dbraw/zinc/99/38/29/1124993829.db2.gz SNFYQYNWGWSYMU-QGZVFWFLSA-N 0 1 296.414 3.793 20 0 CHADMN Clc1cccc(CSc2nc(C3CC3)n[nH]2)c1 ZINC000022328427 1124999245 /nfs/dbraw/zinc/99/92/45/1124999245.db2.gz HBODJDMDZWOJPO-UHFFFAOYSA-N 0 1 265.769 3.628 20 0 CHADMN Clc1cccc(CSc2n[nH]c(C3CC3)n2)c1 ZINC000022328427 1124999249 /nfs/dbraw/zinc/99/92/49/1124999249.db2.gz HBODJDMDZWOJPO-UHFFFAOYSA-N 0 1 265.769 3.628 20 0 CHADMN COC1(CN[C@H](c2cccc(C)c2)c2ccccn2)CCC1 ZINC000877122880 1125011916 /nfs/dbraw/zinc/01/19/16/1125011916.db2.gz BXLTYPRRBHTARY-GOSISDBHSA-N 0 1 296.414 3.638 20 0 CHADMN Cc1nc(C(C)C)sc1[C@H](C)N(C)CCOCC1CC1 ZINC000120963672 1125014217 /nfs/dbraw/zinc/01/42/17/1125014217.db2.gz QJQDQGHJMOZAJX-ZDUSSCGKSA-N 0 1 296.480 3.994 20 0 CHADMN C[C@@](N)(C(=O)Nc1ccc(C2CC2)cc1F)c1ccccc1 ZINC000877261946 1125020777 /nfs/dbraw/zinc/02/07/77/1125020777.db2.gz SYBXGDURCCJAFA-SFHVURJKSA-N 0 1 298.361 3.516 20 0 CHADMN C[C@@H]1CCN(Cc2ccc3nonc3c2)[C@@H](c2ccco2)C1 ZINC000821380208 1131326150 /nfs/dbraw/zinc/32/61/50/1131326150.db2.gz NWBWFMLHNWASBO-MLGOLLRUSA-N 0 1 297.358 3.789 20 0 CHADMN CCCN(Cc1ccon1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000121047069 1125034178 /nfs/dbraw/zinc/03/41/78/1125034178.db2.gz LCRJCWNCUXVMNV-CVEARBPZSA-N 0 1 292.423 3.624 20 0 CHADMN Fc1ccccc1[C@H]1C[C@H](NCc2nc(Cl)cs2)C1 ZINC000877495561 1125035001 /nfs/dbraw/zinc/03/50/01/1125035001.db2.gz CSVKZGXIOLMGBO-MGCOHNPYSA-N 0 1 296.798 3.971 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccc(Cl)nn1)CCC2 ZINC000877546138 1125042876 /nfs/dbraw/zinc/04/28/76/1125042876.db2.gz PEFXIHROEVDZPE-OAHLLOKOSA-N 0 1 287.794 3.606 20 0 CHADMN Fc1cccc([C@H]2CCCN2Cc2ccc3nonc3c2)c1 ZINC000821362642 1131327936 /nfs/dbraw/zinc/32/79/36/1131327936.db2.gz NIJKPAJDGXQYJF-QGZVFWFLSA-N 0 1 297.333 3.699 20 0 CHADMN Cc1cc(CN[C@H]2CCc3ccc(Cl)cc32)sn1 ZINC000877660770 1125059705 /nfs/dbraw/zinc/05/97/05/1125059705.db2.gz QOLCNCOYVWOUTD-AWEZNQCLSA-N 0 1 278.808 3.882 20 0 CHADMN Cc1ncc([C@H](C)NCc2cc(C)nc(Cl)c2)s1 ZINC000877684907 1125062597 /nfs/dbraw/zinc/06/25/97/1125062597.db2.gz CJVSGSXCNUPFRL-VIFPVBQESA-N 0 1 281.812 3.659 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cc(C)nc(Cl)c2)s1 ZINC000877684906 1125062753 /nfs/dbraw/zinc/06/27/53/1125062753.db2.gz CJVSGSXCNUPFRL-SECBINFHSA-N 0 1 281.812 3.659 20 0 CHADMN CC(=O)Nc1cccc2c1CN(Cc1ccccc1C)CC2 ZINC000877682743 1125063334 /nfs/dbraw/zinc/06/33/34/1125063334.db2.gz PVZAKFWKMKZEHZ-UHFFFAOYSA-N 0 1 294.398 3.512 20 0 CHADMN CCC(CC)(CNCc1ccc(Cl)nn1)C(F)(F)F ZINC000877707755 1125065972 /nfs/dbraw/zinc/06/59/72/1125065972.db2.gz FZDZTGYRRDSIBB-UHFFFAOYSA-N 0 1 295.736 3.588 20 0 CHADMN C[C@@H]1COC[C@H](c2ccccc2)N1C[C@H]1CCC(F)(F)C1 ZINC000450639362 1125077467 /nfs/dbraw/zinc/07/74/67/1125077467.db2.gz KOWVJQCVGPLKHB-IJEWVQPXSA-N 0 1 295.373 3.884 20 0 CHADMN Cc1nn(C(C)C)cc1CN(C)Cc1ccc2cc[nH]c2c1 ZINC000877770401 1125079082 /nfs/dbraw/zinc/07/90/82/1125079082.db2.gz VCLDBVPFMWIHSZ-UHFFFAOYSA-N 0 1 296.418 3.886 20 0 CHADMN C(c1noc2c1CCCC2)N1CCC2(C1)CCCCC2 ZINC000129970872 1125081094 /nfs/dbraw/zinc/08/10/94/1125081094.db2.gz DVKZHCZEDMNXLV-UHFFFAOYSA-N 0 1 274.408 3.710 20 0 CHADMN CC(C)c1cc(Cl)ccc1NC(=O)CN1CC[C@@H](C)C1 ZINC000529850847 1125082727 /nfs/dbraw/zinc/08/27/27/1125082727.db2.gz BWIJBKMHZYAPAX-GFCCVEGCSA-N 0 1 294.826 3.744 20 0 CHADMN CC1(C)CCc2onc(CNC3CC4(CCC4)C3)c2C1 ZINC000877810595 1125083673 /nfs/dbraw/zinc/08/36/73/1125083673.db2.gz XAJXJORUUQPPIL-UHFFFAOYSA-N 0 1 274.408 3.612 20 0 CHADMN FC(F)(F)[C@H]1CCN(Cc2ccccc2C2CC2)CCO1 ZINC000877819320 1125085209 /nfs/dbraw/zinc/08/52/09/1125085209.db2.gz BTWRQLZPHSEMOP-OAHLLOKOSA-N 0 1 299.336 3.717 20 0 CHADMN CC(C)(C(=O)Nc1cc(F)cc(Cl)c1O)C1CCC1 ZINC000450690070 1125087198 /nfs/dbraw/zinc/08/71/98/1125087198.db2.gz UWJBFLBCTMVETO-UHFFFAOYSA-N 0 1 285.746 3.950 20 0 CHADMN Cc1nccnc1[C@@H](C)NC[C@H](OC(C)C)c1ccccc1 ZINC000877828467 1125087392 /nfs/dbraw/zinc/08/73/92/1125087392.db2.gz KJGHHEHSWQAOCJ-WBVHZDCISA-N 0 1 299.418 3.602 20 0 CHADMN CC(C)c1nnc(CN2C[C@H](C)[C@H]3CCCC[C@@H]32)s1 ZINC000450721798 1125091173 /nfs/dbraw/zinc/09/11/73/1125091173.db2.gz YAUXWHAVYUFXRU-XQQFMLRXSA-N 0 1 279.453 3.672 20 0 CHADMN c1ccc2c(c1)cccc2-c1cc(N2CCOCC2)ccn1 ZINC001239469499 1131331287 /nfs/dbraw/zinc/33/12/87/1131331287.db2.gz CLGXTKGRTNRERL-UHFFFAOYSA-N 0 1 290.366 3.738 20 0 CHADMN COc1cc(CSc2nc(C3CC3)n[nH]2)ccc1Cl ZINC000450762757 1125099826 /nfs/dbraw/zinc/09/98/26/1125099826.db2.gz UUGNJUOHKQJBGQ-UHFFFAOYSA-N 0 1 295.795 3.636 20 0 CHADMN COc1cc(CSc2n[nH]c(C3CC3)n2)ccc1Cl ZINC000450762757 1125099836 /nfs/dbraw/zinc/09/98/36/1125099836.db2.gz UUGNJUOHKQJBGQ-UHFFFAOYSA-N 0 1 295.795 3.636 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C)c(Cl)n2)cc1 ZINC000877938944 1125104469 /nfs/dbraw/zinc/10/44/69/1125104469.db2.gz PKZOYAZFJIQIIZ-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN COc1ccccc1-c1nc(CN2CCCCCC2)co1 ZINC000877942377 1125105351 /nfs/dbraw/zinc/10/53/51/1125105351.db2.gz DDJIYDCGUXRZKH-UHFFFAOYSA-N 0 1 286.375 3.726 20 0 CHADMN O[C@@H](CN1C2CCC1CC2)c1ccc(Cl)c(Cl)c1 ZINC000877951559 1125105534 /nfs/dbraw/zinc/10/55/34/1125105534.db2.gz OHYSPFZCFDZXEU-MGULZYLOSA-N 0 1 286.202 3.654 20 0 CHADMN Cc1conc1CN(C)[C@@H](c1ccccc1)C(C)C ZINC000878101133 1125119860 /nfs/dbraw/zinc/11/98/60/1125119860.db2.gz MNQLZECJUCUSBT-MRXNPFEDSA-N 0 1 258.365 3.812 20 0 CHADMN CC[C@H](Cc1ccc(Cl)cc1)NC(CF)CF ZINC000826029300 1125130513 /nfs/dbraw/zinc/13/05/13/1125130513.db2.gz CURPYZCRNUKUSR-GFCCVEGCSA-N 0 1 261.743 3.558 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC[C@@H](C)C1 ZINC000026463940 1125135598 /nfs/dbraw/zinc/13/55/98/1125135598.db2.gz NWPANRZVAFOCJS-CABCVRRESA-N 0 1 288.435 3.869 20 0 CHADMN CCC1(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)CC1 ZINC000530286995 1125137517 /nfs/dbraw/zinc/13/75/17/1125137517.db2.gz PMEHZASIKREETI-UHFFFAOYSA-N 0 1 285.391 3.989 20 0 CHADMN CN(Cc1cccnc1)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000878298570 1125138701 /nfs/dbraw/zinc/13/87/01/1125138701.db2.gz JBZWIWBZJPTRSJ-RBUKOAKNSA-N 0 1 296.414 3.824 20 0 CHADMN C[C@H](c1ccccn1)N(C)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878313688 1125140722 /nfs/dbraw/zinc/14/07/22/1125140722.db2.gz JMBAAZBYFWNYSB-HHXXYDBFSA-N 0 1 296.414 3.995 20 0 CHADMN COc1ccc([C@H]2CCCCCN2Cc2ccnn2C)cc1 ZINC000121688911 1125141375 /nfs/dbraw/zinc/14/13/75/1125141375.db2.gz SSHPAXHPQMWXJZ-GOSISDBHSA-N 0 1 299.418 3.546 20 0 CHADMN CCC[C@@H](NCc1nccn1CC(F)F)c1ccccc1 ZINC000878346363 1125143715 /nfs/dbraw/zinc/14/37/15/1125143715.db2.gz XMFVNFOHOZQFSP-CQSZACIVSA-N 0 1 293.361 3.779 20 0 CHADMN CC[C@@](C)(NCc1nccn1CC(F)F)c1ccccc1 ZINC000878361393 1125145143 /nfs/dbraw/zinc/14/51/43/1125145143.db2.gz AANZJBLQAFASQP-MRXNPFEDSA-N 0 1 293.361 3.563 20 0 CHADMN C[C@@H](c1ccco1)N(C)C[C@@H]1CCC2(CCCC2)O1 ZINC000530419170 1125151251 /nfs/dbraw/zinc/15/12/51/1125151251.db2.gz JNEOINHLSMJOIR-KBPBESRZSA-N 0 1 263.381 3.764 20 0 CHADMN CCc1nc([C@@H](C)NC[C@H]2CCC(C)(C)CO2)cs1 ZINC000878419489 1125151287 /nfs/dbraw/zinc/15/12/87/1125151287.db2.gz WWHLUBUJPPAOPQ-VXGBXAGGSA-N 0 1 282.453 3.561 20 0 CHADMN C=C/C=C/CCN[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000878425639 1125152953 /nfs/dbraw/zinc/15/29/53/1125152953.db2.gz OVDFEWFIRDLHES-URWSZGRFSA-N 0 1 299.374 3.528 20 0 CHADMN C=C/C=C\CCN[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000878424454 1125153266 /nfs/dbraw/zinc/15/32/66/1125153266.db2.gz RCMNTJTUYZSVGR-RXNFCKPNSA-N 0 1 287.338 3.659 20 0 CHADMN COC[C@@H]1CCCCN(Cc2cc(C(F)(F)F)co2)C1 ZINC000878442168 1125155252 /nfs/dbraw/zinc/15/52/52/1125155252.db2.gz WSHPIZLHKGAJNX-LLVKDONJSA-N 0 1 291.313 3.547 20 0 CHADMN C=C/C=C\CCN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000878527227 1125159689 /nfs/dbraw/zinc/15/96/89/1125159689.db2.gz ZXIKIZPLXWLDLE-XRVBUDJMSA-N 0 1 276.327 3.945 20 0 CHADMN CC(C)Oc1ccccc1CN1C[C@@H](C)C[C@H]1CF ZINC001137134070 1125163293 /nfs/dbraw/zinc/16/32/93/1125163293.db2.gz HCCBCILVFKSJHI-ZFWWWQNUSA-N 0 1 265.372 3.654 20 0 CHADMN CN(Cc1ccccn1)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878667894 1125171745 /nfs/dbraw/zinc/17/17/45/1125171745.db2.gz DWLSGKNWGFPQIN-MOPGFXCFSA-N 0 1 296.414 3.824 20 0 CHADMN CO[C@@H]1CC[C@H](N2CCc3ccc(C(F)(F)F)cc3C2)C1 ZINC000879103753 1125197622 /nfs/dbraw/zinc/19/76/22/1125197622.db2.gz DFYWTSPBHTVADL-LSDHHAIUSA-N 0 1 299.336 3.631 20 0 CHADMN Cc1cccc(CN(C)Cc2[nH]nc3c2cccc3C)c1 ZINC001137141904 1125204031 /nfs/dbraw/zinc/20/40/31/1125204031.db2.gz NHYYAGAYRZEAQU-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN Cc1nc2ccccn2c1CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000531250703 1125204963 /nfs/dbraw/zinc/20/49/63/1125204963.db2.gz UUFXWBVELGDDHB-WFASDCNBSA-N 0 1 295.386 3.649 20 0 CHADMN CC(C)=CCC[C@H](C)CCNCc1noc2c1COCC2 ZINC000897367315 1125205273 /nfs/dbraw/zinc/20/52/73/1125205273.db2.gz YZUIJVRUTHRZID-AWEZNQCLSA-N 0 1 292.423 3.610 20 0 CHADMN C[C@H](NCc1ncc(C2CC2)o1)[C@@]12C[C@@H]1CCCC2 ZINC000879265758 1125205518 /nfs/dbraw/zinc/20/55/18/1125205518.db2.gz NBBXHTTYDMBKRD-DETPVDSQSA-N 0 1 260.381 3.610 20 0 CHADMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1ccc(C2CC2)cc1 ZINC000879373906 1125210885 /nfs/dbraw/zinc/21/08/85/1125210885.db2.gz DIODNXXEAQIWDM-GTNSWQLSSA-N 0 1 295.386 3.592 20 0 CHADMN Cc1cc(C)c(NC(=O)c2cc(-c3ccoc3)n[nH]2)c(C)c1 ZINC000531362250 1125212389 /nfs/dbraw/zinc/21/23/89/1125212389.db2.gz LXISAGXDEHZKMG-UHFFFAOYSA-N 0 1 295.342 3.847 20 0 CHADMN COC[C@H](NCc1cc(C)ccc1C)c1ccc(F)cc1 ZINC000531444563 1125219035 /nfs/dbraw/zinc/21/90/35/1125219035.db2.gz DWAJCVHGYLNNGP-SFHVURJKSA-N 0 1 287.378 3.920 20 0 CHADMN CCCOc1ccc(NC(=O)c2cccc3cn[nH]c32)cc1 ZINC000123008708 1125219929 /nfs/dbraw/zinc/21/99/29/1125219929.db2.gz FVZKYUNTEGMSKI-UHFFFAOYSA-N 0 1 295.342 3.604 20 0 CHADMN CCN(Cc1c(F)cccc1Cl)[C@H]1CCO[C@H](C)C1 ZINC001168139568 1125225155 /nfs/dbraw/zinc/22/51/55/1125225155.db2.gz UDIRHHUXJKBVSW-NEPJUHHUSA-N 0 1 285.790 3.869 20 0 CHADMN Cc1nsc(C)c1CN(C)Cc1ccc2cc[nH]c2c1 ZINC000879727616 1125228294 /nfs/dbraw/zinc/22/82/94/1125228294.db2.gz HPJRIRQEHHCDOS-UHFFFAOYSA-N 0 1 285.416 3.873 20 0 CHADMN Cc1cncc([C@H]2CCC[N@H+]2C[C@@H]2CC2(Cl)Cl)c1 ZINC000879748350 1125229493 /nfs/dbraw/zinc/22/94/93/1125229493.db2.gz HJZBQYHSZBZXRD-QWHCGFSZSA-N 0 1 285.218 3.721 20 0 CHADMN COc1ccc(CC[C@@H](C)Nc2cc(OC)ccn2)cc1 ZINC000777279839 1125234687 /nfs/dbraw/zinc/23/46/87/1125234687.db2.gz UKJMTUHAQACOHJ-CYBMUJFWSA-N 0 1 286.375 3.532 20 0 CHADMN CC(C)c1ccccc1NC(=O)c1cccc(F)c1O ZINC001124342813 1131342158 /nfs/dbraw/zinc/34/21/58/1131342158.db2.gz HHLZYPNGCFUKDT-UHFFFAOYSA-N 0 1 273.307 3.907 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1cc2ccccc2o1 ZINC000170029735 1125256365 /nfs/dbraw/zinc/25/63/65/1125256365.db2.gz BVWSNOPHCKMTMV-UHFFFAOYSA-N 0 1 277.283 3.561 20 0 CHADMN CN(C(=O)c1[nH]nc2ccccc21)C1CCCCCCC1 ZINC000128289368 1125258478 /nfs/dbraw/zinc/25/84/78/1125258478.db2.gz WXCBWYXCOZGKFV-UHFFFAOYSA-N 0 1 285.391 3.748 20 0 CHADMN Cc1ccc(-c2nc(CN3CCC[C@@H](CF)C3)co2)cc1 ZINC000880234072 1125258998 /nfs/dbraw/zinc/25/89/98/1125258998.db2.gz HOCZKXHCBBPNMD-AWEZNQCLSA-N 0 1 288.366 3.832 20 0 CHADMN FC[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000880235336 1125258838 /nfs/dbraw/zinc/25/88/38/1125258838.db2.gz OFNOZDJHEMVWOG-GFCCVEGCSA-N 0 1 292.329 3.662 20 0 CHADMN FC[C@H]1CCCN(Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000880235336 1125258844 /nfs/dbraw/zinc/25/88/44/1125258844.db2.gz OFNOZDJHEMVWOG-GFCCVEGCSA-N 0 1 292.329 3.662 20 0 CHADMN Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CF)C3)co2)cc1 ZINC000880234072 1125258995 /nfs/dbraw/zinc/25/89/95/1125258995.db2.gz HOCZKXHCBBPNMD-AWEZNQCLSA-N 0 1 288.366 3.832 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CC[C@@H](c2nccs2)C1 ZINC000880317044 1125264210 /nfs/dbraw/zinc/26/42/10/1125264210.db2.gz OPYUQTQRDHEXRN-WDEREUQCSA-N 0 1 294.370 3.972 20 0 CHADMN Cc1ncsc1CN1CCc2ccsc2[C@H]1C ZINC000880376057 1125270158 /nfs/dbraw/zinc/27/01/58/1125270158.db2.gz CJNUKOKVFMXMCD-SNVBAGLBSA-N 0 1 264.419 3.632 20 0 CHADMN C[C@@H]1CC[C@H](CO)N1Cc1nc(C2CCCCC2)cs1 ZINC000880440144 1125274802 /nfs/dbraw/zinc/27/48/02/1125274802.db2.gz TWNGWOLEQFTQGX-TZMCWYRMSA-N 0 1 294.464 3.536 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1nc(C)c(C)s1 ZINC000177776171 1125279812 /nfs/dbraw/zinc/27/98/12/1125279812.db2.gz XUJHBSKPYIUJTO-JTQLQIEISA-N 0 1 272.483 3.723 20 0 CHADMN C[C@@H](CCc1ccsc1)NCc1ncc(Cl)s1 ZINC000872115224 1125284169 /nfs/dbraw/zinc/28/41/69/1125284169.db2.gz JONYKAZUEKRDPJ-VIFPVBQESA-N 0 1 286.853 3.969 20 0 CHADMN Cc1cc(C)c(/C=C\CN(C)Cc2cccc(=O)[nH]2)cc1C ZINC000897391395 1125287886 /nfs/dbraw/zinc/28/78/86/1125287886.db2.gz NUWBSDXSHGPWHU-SREVYHEPSA-N 0 1 296.414 3.858 20 0 CHADMN CN(Cc1cccc(CC2CCC2)c1)Cc1cccc(=O)[nH]1 ZINC000897391283 1125287965 /nfs/dbraw/zinc/28/79/65/1125287965.db2.gz KWBSJQATCPFGIZ-UHFFFAOYSA-N 0 1 296.414 3.762 20 0 CHADMN C[C@@H](N[C@@H](CC1CC1)c1ccccc1)c1ccn(C)n1 ZINC000666120952 1125291901 /nfs/dbraw/zinc/29/19/01/1125291901.db2.gz WNYJHPMFUOVOAX-DYVFJYSZSA-N 0 1 269.392 3.612 20 0 CHADMN CC(C)(C)n1cc(CN2CCC3(CCCCC3)CC2)nn1 ZINC000191308695 1125324402 /nfs/dbraw/zinc/32/44/02/1125324402.db2.gz PXYYDPVABUIEQO-UHFFFAOYSA-N 0 1 290.455 3.579 20 0 CHADMN Cc1ncccc1C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000191664461 1125326077 /nfs/dbraw/zinc/32/60/77/1125326077.db2.gz TXUCIJURWYTFSQ-ZDUSSCGKSA-N 0 1 286.341 3.800 20 0 CHADMN Cc1ncccc1CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000191664461 1125326080 /nfs/dbraw/zinc/32/60/80/1125326080.db2.gz TXUCIJURWYTFSQ-ZDUSSCGKSA-N 0 1 286.341 3.800 20 0 CHADMN C[C@@H]1CCSCCN1Cc1ccc(Cl)s1 ZINC000191815139 1125327843 /nfs/dbraw/zinc/32/78/43/1125327843.db2.gz SUOGSBXVZADTBY-SECBINFHSA-N 0 1 261.843 3.729 20 0 CHADMN CC(C)c1cccc2c1CCN(Cc1cccnc1)C2 ZINC000191891601 1125328711 /nfs/dbraw/zinc/32/87/11/1125328711.db2.gz IIJDWAOWKBZMPM-UHFFFAOYSA-N 0 1 266.388 3.763 20 0 CHADMN CCOC(=O)c1csc([C@H]2CCCN2C[C@H](C)CC)n1 ZINC000191825909 1125329770 /nfs/dbraw/zinc/32/97/70/1125329770.db2.gz PEKWAEAEVBSNGW-DGCLKSJQSA-N 0 1 296.436 3.503 20 0 CHADMN c1ccc(CCC[C@@H]2CCCC[N@H+]2Cc2ncccn2)cc1 ZINC000192125947 1125330940 /nfs/dbraw/zinc/33/09/40/1125330940.db2.gz ZOCKOULWMVWAKH-SFHVURJKSA-N 0 1 295.430 3.854 20 0 CHADMN c1ccc(CCC[C@@H]2CCCCN2Cc2ncccn2)cc1 ZINC000192125947 1125330943 /nfs/dbraw/zinc/33/09/43/1125330943.db2.gz ZOCKOULWMVWAKH-SFHVURJKSA-N 0 1 295.430 3.854 20 0 CHADMN C[C@@]1(F)CCN(Cc2cccc3cccnc32)C[C@@H]1F ZINC001137171978 1125331060 /nfs/dbraw/zinc/33/10/60/1125331060.db2.gz MHWWEFLUQKAZDS-GOEBONIOSA-N 0 1 276.330 3.507 20 0 CHADMN COc1cccc(F)c1[C@H](C)N[C@@H](C)[C@@H]1CC1(F)F ZINC000666227926 1125334860 /nfs/dbraw/zinc/33/48/60/1125334860.db2.gz LGQUDYOTPJNBLU-GUBZILKMSA-N 0 1 273.298 3.529 20 0 CHADMN CCCc1noc(CNC(C)(C)CCc2ccccc2)n1 ZINC000170811030 1125347117 /nfs/dbraw/zinc/34/71/17/1125347117.db2.gz QCJXEBMVOMTVSD-UHFFFAOYSA-N 0 1 287.407 3.523 20 0 CHADMN C[C@@H](Cc1ccoc1)NCc1c(F)c(F)cc(F)c1F ZINC000648469223 1125347685 /nfs/dbraw/zinc/34/76/85/1125347685.db2.gz KATRHPRZSROBGY-QMMMGPOBSA-N 0 1 287.256 3.557 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1)N1Cc2ccncc2C1 ZINC001168181094 1125348555 /nfs/dbraw/zinc/34/85/55/1125348555.db2.gz XKFKHIRZNJDHLS-LBPRGKRZSA-N 0 1 272.779 3.682 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)C[C@H]1C ZINC001168202384 1125397323 /nfs/dbraw/zinc/39/73/23/1125397323.db2.gz UDRFPMDOGPFQKZ-GHMZBOCLSA-N 0 1 255.764 3.957 20 0 CHADMN Nc1c(Cl)cccc1CNC1(c2ccccc2)CC1 ZINC000882990577 1125366354 /nfs/dbraw/zinc/36/63/54/1125366354.db2.gz RAMXKJCLUSHPJJ-UHFFFAOYSA-N 0 1 272.779 3.701 20 0 CHADMN C[C@H]1Oc2ccccc2[C@@H]1NCc1cccc(Cl)c1N ZINC000883121481 1125372721 /nfs/dbraw/zinc/37/27/21/1125372721.db2.gz JCBRRWIPDLROCH-QLJPJBMISA-N 0 1 288.778 3.534 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)N1CCC(C)(F)CC1 ZINC000640071884 1125377091 /nfs/dbraw/zinc/37/70/91/1125377091.db2.gz TYRNHHNSRAXIAP-NSHDSACASA-N 0 1 262.328 3.713 20 0 CHADMN CC[C@@H](N[C@H](C)c1cn[nH]c1)c1sccc1Cl ZINC000883208900 1125377874 /nfs/dbraw/zinc/37/78/74/1125377874.db2.gz QHPFFEUHQNIVIY-LDYMZIIASA-N 0 1 269.801 3.927 20 0 CHADMN CC[C@H](NCc1cnn(C)c1C)c1sccc1Cl ZINC000883208181 1125378097 /nfs/dbraw/zinc/37/80/97/1125378097.db2.gz APNBAUIZHCOARB-LBPRGKRZSA-N 0 1 283.828 3.684 20 0 CHADMN CC(C)(O)[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000721868696 1125379161 /nfs/dbraw/zinc/37/91/61/1125379161.db2.gz IKQOQGZFMANQEA-NSHDSACASA-N 0 1 288.218 3.586 20 0 CHADMN COc1ccc(C2CC2)cc1CNCc1scnc1C ZINC000883258096 1125386336 /nfs/dbraw/zinc/38/63/36/1125386336.db2.gz QXZVXMCUJCEWEV-UHFFFAOYSA-N 0 1 288.416 3.627 20 0 CHADMN C=C/C=C\CCN[C@@H](C)c1nc(Br)cs1 ZINC000883268641 1125389340 /nfs/dbraw/zinc/38/93/40/1125389340.db2.gz PHZPSSGCPFACBP-WBSSQXGSSA-N 0 1 287.226 3.689 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(F)cc2)C2CCC2)on1 ZINC000170920311 1125391231 /nfs/dbraw/zinc/39/12/31/1125391231.db2.gz ZUFHSNJFHGEPBB-INIZCTEOSA-N 0 1 274.339 3.753 20 0 CHADMN CC[C@@H](NCc1ccc(C)nc1Cl)c1ccncc1 ZINC000883301454 1125392208 /nfs/dbraw/zinc/39/22/08/1125392208.db2.gz APVVUWJRZZGSBM-CQSZACIVSA-N 0 1 275.783 3.679 20 0 CHADMN CC(C)CCC[C@H](C)NC1(c2ncccn2)CCC1 ZINC000883313541 1125393424 /nfs/dbraw/zinc/39/34/24/1125393424.db2.gz GYHHWVCLKCNECH-AWEZNQCLSA-N 0 1 261.413 3.660 20 0 CHADMN CCc1ccccc1CNCc1ccc(OC)cc1F ZINC000228598543 1125393537 /nfs/dbraw/zinc/39/35/37/1125393537.db2.gz PPJADLKRSNKQIE-UHFFFAOYSA-N 0 1 273.351 3.687 20 0 CHADMN Oc1ccc(Cl)c(CN[C@@H]2CCc3ccccc32)c1 ZINC000883325279 1125396951 /nfs/dbraw/zinc/39/69/51/1125396951.db2.gz VYKFKKHAXUDOQL-MRXNPFEDSA-N 0 1 273.763 3.823 20 0 CHADMN COc1cccc2c1OCCC[C@H]2N[C@@H](C)c1ccccn1 ZINC000883330882 1125397594 /nfs/dbraw/zinc/39/75/94/1125397594.db2.gz NZNVGUWJJIQVMT-XJKSGUPXSA-N 0 1 298.386 3.655 20 0 CHADMN Cn1ccnc1CN1CCCCC[C@H]1c1ccccc1 ZINC000171109632 1125403398 /nfs/dbraw/zinc/40/33/98/1125403398.db2.gz IHQMPBQYJGKQCY-INIZCTEOSA-N 0 1 269.392 3.537 20 0 CHADMN Fc1ccc([C@@H]([NH2+]Cc2c[nH]cn2)C2CCCC2)cc1 ZINC000171132733 1125404539 /nfs/dbraw/zinc/40/45/39/1125404539.db2.gz HQFGUNNTMGNLBA-INIZCTEOSA-N 0 1 273.355 3.570 20 0 CHADMN Fc1ccc([C@H]([NH2+]Cc2c[nH]cn2)C2CCCC2)cc1 ZINC000171132728 1125404622 /nfs/dbraw/zinc/40/46/22/1125404622.db2.gz HQFGUNNTMGNLBA-MRXNPFEDSA-N 0 1 273.355 3.570 20 0 CHADMN Cc1ccc2ncc(CNC3(c4ccc(F)cc4)CC3)n2c1 ZINC000532495911 1125408654 /nfs/dbraw/zinc/40/86/54/1125408654.db2.gz AUTLZQZTITYXHL-UHFFFAOYSA-N 0 1 295.361 3.561 20 0 CHADMN CC1(C)Nc2ccccc2[C@H]1NCc1cnc(Cl)s1 ZINC000883463585 1125411119 /nfs/dbraw/zinc/41/11/19/1125411119.db2.gz TZLPCNXGWVLABP-GFCCVEGCSA-N 0 1 293.823 3.832 20 0 CHADMN c1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)nc1 ZINC000029832966 1125417521 /nfs/dbraw/zinc/41/75/21/1125417521.db2.gz DSRKEYSRMQGELQ-AWEZNQCLSA-N 0 1 293.370 3.602 20 0 CHADMN CC1CCC([N@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)CC1 ZINC001168219524 1125418849 /nfs/dbraw/zinc/41/88/49/1125418849.db2.gz IMBFYFZZJNIQKA-UYJHFMRCSA-N 0 1 291.410 3.952 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N1CCC[C@]2(CC=CCC2)C1 ZINC000114440195 1125420468 /nfs/dbraw/zinc/42/04/68/1125420468.db2.gz XNKVNSWIYWOLSI-GOSISDBHSA-N 0 1 295.386 3.525 20 0 CHADMN C[C@H]1CC[C@@H](CNC2(c3c(F)cccc3F)CCC2)O1 ZINC000626179003 1125420515 /nfs/dbraw/zinc/42/05/15/1125420515.db2.gz RLXKOSQKQZLBMQ-RYUDHWBXSA-N 0 1 281.346 3.501 20 0 CHADMN CC1(C)CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000332693033 1125428925 /nfs/dbraw/zinc/42/89/25/1125428925.db2.gz VQCQKCMEKSZOHL-UONOGXRCSA-N 0 1 289.423 3.510 20 0 CHADMN Fc1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)cc1Cl ZINC000121202166 1125429219 /nfs/dbraw/zinc/42/92/19/1125429219.db2.gz FMOREFVXZXWUFL-LBPRGKRZSA-N 0 1 293.773 3.582 20 0 CHADMN c1cc2c(cc1CNc1cc3c(cn1)CCCC3)CCCO2 ZINC001202560277 1125429967 /nfs/dbraw/zinc/42/99/67/1125429967.db2.gz DTHLAHRYZKYIRW-UHFFFAOYSA-N 0 1 294.398 3.898 20 0 CHADMN Cn1cccc1CN1CCC[C@H]1c1ccc(F)cc1 ZINC000124095746 1125434261 /nfs/dbraw/zinc/43/42/61/1125434261.db2.gz MUENZJOCNXYUFI-INIZCTEOSA-N 0 1 258.340 3.501 20 0 CHADMN CCCCN(CCCC)C(=O)c1cccc2c[nH]nc21 ZINC000042080660 1125439654 /nfs/dbraw/zinc/43/96/54/1125439654.db2.gz ZFNUWHOOOGDTEU-UHFFFAOYSA-N 0 1 273.380 3.605 20 0 CHADMN Cc1occc1CN(C)Cc1cccc(Br)c1 ZINC000042375746 1125442259 /nfs/dbraw/zinc/44/22/59/1125442259.db2.gz ZJSSZPLFTHVXNL-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN CCc1ccc(CN2C[C@H](C)C[C@@H]2c2cccnc2)cn1 ZINC000348255168 1125442993 /nfs/dbraw/zinc/44/29/93/1125442993.db2.gz RQIIBRFQIBRYFQ-RDTXWAMCSA-N 0 1 281.403 3.622 20 0 CHADMN CC(C)c1nnc(CNC[C@H]2C[C@H]2c2ccccc2)s1 ZINC000348254930 1125443506 /nfs/dbraw/zinc/44/35/06/1125443506.db2.gz GHGROGSKIVEJIU-KGLIPLIRSA-N 0 1 287.432 3.555 20 0 CHADMN C[C@H](Sc1nc(C2CC2)n[nH]1)c1ccc(F)cc1F ZINC000124966501 1125444199 /nfs/dbraw/zinc/44/41/99/1125444199.db2.gz CUVCJKJUIODOHZ-ZETCQYMHSA-N 0 1 281.331 3.814 20 0 CHADMN CC(C)COc1ccc(C(C)(C)NCc2cncnc2)cc1 ZINC000107320246 1125448658 /nfs/dbraw/zinc/44/86/58/1125448658.db2.gz JSBHAPOCHYMLOS-UHFFFAOYSA-N 0 1 299.418 3.536 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2cc(C)c(C)o2)n[nH]1 ZINC000282860972 1125449916 /nfs/dbraw/zinc/44/99/16/1125449916.db2.gz UQEQHEUIPAVFCY-ZMLRMANQSA-N 0 1 290.411 3.940 20 0 CHADMN CSCC[C@H](C)N(C)Cc1cc(F)ccc1F ZINC000126325306 1125454457 /nfs/dbraw/zinc/45/44/57/1125454457.db2.gz XYNMSIAIWITQPW-JTQLQIEISA-N 0 1 259.365 3.538 20 0 CHADMN Cn1cc(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)cn1 ZINC000108385505 1125454483 /nfs/dbraw/zinc/45/44/83/1125454483.db2.gz ISBCJIWPYMJGGY-GOSISDBHSA-N 0 1 294.402 3.629 20 0 CHADMN FC(F)(F)c1cccc(-c2[nH]ccc3ncnc2-3)c1 ZINC001239513627 1131355919 /nfs/dbraw/zinc/35/59/19/1131355919.db2.gz HSZOLMHPHNQVNI-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN FC(F)(F)c1cccc(-c2nccc3[nH]cnc32)c1 ZINC001239513627 1131355925 /nfs/dbraw/zinc/35/59/25/1131355925.db2.gz HSZOLMHPHNQVNI-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](NCc1cnn(C)c1)CCCO2 ZINC000126586782 1125455923 /nfs/dbraw/zinc/45/59/23/1125455923.db2.gz BVCRBTUZQWGCKM-QGZVFWFLSA-N 0 1 299.418 3.547 20 0 CHADMN CCN(Cc1noc(-c2ccsc2)n1)C1CCCCC1 ZINC000126564330 1125456033 /nfs/dbraw/zinc/45/60/33/1125456033.db2.gz BVUBETNDAUSHLG-UHFFFAOYSA-N 0 1 291.420 3.953 20 0 CHADMN c1cc(CN2CCCC3(CC3)C2)n(CCc2ccccc2)n1 ZINC000621722898 1129187119 /nfs/dbraw/zinc/18/71/19/1129187119.db2.gz NTNLGROIPRTLKY-UHFFFAOYSA-N 0 1 295.430 3.502 20 0 CHADMN Cn1cc(CN2CC(CC3CC3)C2)c(C2CCCCC2)n1 ZINC000621740162 1129189872 /nfs/dbraw/zinc/18/98/72/1129189872.db2.gz AZGSXYYECJDQJL-UHFFFAOYSA-N 0 1 287.451 3.700 20 0 CHADMN Cc1nc[nH]c1C(=O)N(CC(C)C)c1cccc(Cl)c1 ZINC000636005096 1129196435 /nfs/dbraw/zinc/19/64/35/1129196435.db2.gz BSYKMZJONKHOIW-UHFFFAOYSA-N 0 1 291.782 3.674 20 0 CHADMN O=C(Nc1ccc2c(c1)C=CCCC2)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636201353 1129198815 /nfs/dbraw/zinc/19/88/15/1129198815.db2.gz KFDRSNSEDZZYMJ-HZPDHXFCSA-N 0 1 293.370 3.501 20 0 CHADMN Cc1noc(C)c1CC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000164589281 1129208675 /nfs/dbraw/zinc/20/86/75/1129208675.db2.gz OPXRKIWQAZCYKO-UHFFFAOYSA-N 0 1 288.366 3.638 20 0 CHADMN Cc1noc(C)c1CCN(Cc1ccccc1F)C1CC1 ZINC000164617936 1129209614 /nfs/dbraw/zinc/20/96/14/1129209614.db2.gz WGNVDAFPPVIKFI-UHFFFAOYSA-N 0 1 288.366 3.638 20 0 CHADMN CC1(C(=O)Nc2cc(F)cc(Cl)c2O)CC(F)(F)C1 ZINC000822017770 1131358600 /nfs/dbraw/zinc/35/86/00/1131358600.db2.gz RZMDITLUAWVOHF-UHFFFAOYSA-N 0 1 293.672 3.559 20 0 CHADMN COC1CCC(=Nc2ncc(C)cc2Br)CC1 ZINC001212872262 1129219539 /nfs/dbraw/zinc/21/95/39/1129219539.db2.gz RABFMUSLSHJFOC-NSHDSACASA-N 0 1 297.196 3.647 20 0 CHADMN CC[C@@H](NCc1c(Cl)c(C)nn1C)c1ccccc1 ZINC000089232754 1129222071 /nfs/dbraw/zinc/22/20/71/1129222071.db2.gz JRIMMNYRFPQVGC-CYBMUJFWSA-N 0 1 277.799 3.623 20 0 CHADMN COc1ccc2c(c1)nccc2N1CCc2cccc(N)c21 ZINC001203529966 1129226563 /nfs/dbraw/zinc/22/65/63/1129226563.db2.gz MIMFURCMKQVTJA-UHFFFAOYSA-N 0 1 291.354 3.520 20 0 CHADMN C[C@H](c1ccccc1)N(C)[C@@H](c1nccn1C)C1CC1 ZINC000637870201 1129233249 /nfs/dbraw/zinc/23/32/49/1129233249.db2.gz COTYLSIDWQGTFS-CZUORRHYSA-N 0 1 269.392 3.564 20 0 CHADMN Cc1ccc(CN(Cc2ccc3nccnc3c2)C2CC2)o1 ZINC000637896159 1129234889 /nfs/dbraw/zinc/23/48/89/1129234889.db2.gz ISZBMDIJLZAESZ-UHFFFAOYSA-N 0 1 293.370 3.696 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2csc(C)c2C)on1 ZINC000637949825 1129237804 /nfs/dbraw/zinc/23/78/04/1129237804.db2.gz YBFFBBGEIIKQDF-AWEZNQCLSA-N 0 1 276.405 3.998 20 0 CHADMN CCCCC1CCC(NC(=O)c2oc(CN)cc2C)CC1 ZINC000637951132 1129237986 /nfs/dbraw/zinc/23/79/86/1129237986.db2.gz LBLOQVVLUIRWNT-UHFFFAOYSA-N 0 1 292.423 3.526 20 0 CHADMN C[C@@H](c1ccco1)N(Cc1ccc2nccnc2c1)C1CC1 ZINC000637972854 1129239631 /nfs/dbraw/zinc/23/96/31/1129239631.db2.gz WZKKZYSKTIFNRM-ZDUSSCGKSA-N 0 1 293.370 3.948 20 0 CHADMN Cc1ncc([C@H](C)N2C[C@H](C)[C@@H]2c2ccccc2)c(C)n1 ZINC000638153197 1129246467 /nfs/dbraw/zinc/24/64/67/1129246467.db2.gz HXTKHTGMRSGSMV-XAYKYTGQSA-N 0 1 281.403 3.847 20 0 CHADMN C[C@@H]([NH2+]Cc1ccco1)c1ccc(Br)cc1[O-] ZINC000184843573 1129256799 /nfs/dbraw/zinc/25/67/99/1129256799.db2.gz RXNHSZRKKGGPPS-SECBINFHSA-N 0 1 296.164 3.599 20 0 CHADMN Fc1ccc(C2(NCc3ccns3)CCCC2)cc1 ZINC000638478191 1129260324 /nfs/dbraw/zinc/26/03/24/1129260324.db2.gz UFVUPCHOJRCCGA-UHFFFAOYSA-N 0 1 276.380 3.841 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cc(C3CC3)no1)CC2 ZINC000638543029 1129262140 /nfs/dbraw/zinc/26/21/40/1129262140.db2.gz BNQWGFWIFWYDPO-INIZCTEOSA-N 0 1 268.360 3.638 20 0 CHADMN CCOC(CN(C)[C@@H](C)c1cc2ccccc2o1)OCC ZINC000184928168 1129263941 /nfs/dbraw/zinc/26/39/41/1129263941.db2.gz YVLIUVQFWYOSSW-ZDUSSCGKSA-N 0 1 291.391 3.825 20 0 CHADMN Cc1cc(CNCc2oc3ccccc3c2C)sn1 ZINC000638628877 1129264438 /nfs/dbraw/zinc/26/44/38/1129264438.db2.gz RIRCXCXQIRZVGH-UHFFFAOYSA-N 0 1 272.373 3.796 20 0 CHADMN Cc1cc(CN[C@@H](c2ncccc2C)C(C)C)sn1 ZINC000638630106 1129264521 /nfs/dbraw/zinc/26/45/21/1129264521.db2.gz AARSPCJRANAKLS-CQSZACIVSA-N 0 1 275.421 3.642 20 0 CHADMN CO[C@@H]1CC=C(Nc2cnc(C3CC3)s2)CC1 ZINC001212876836 1129264711 /nfs/dbraw/zinc/26/47/11/1129264711.db2.gz MBAZISBKKBYFRT-LLVKDONJSA-N 0 1 250.367 3.515 20 0 CHADMN Cc1occc1CN(C)C[C@H](O)c1ccc(F)cc1Cl ZINC000184969152 1129266272 /nfs/dbraw/zinc/26/62/72/1129266272.db2.gz RNBASECHUOEDGO-HNNXBMFYSA-N 0 1 297.757 3.546 20 0 CHADMN CCC(CC)c1cc(CN[C@H](C)[C@@H]2CC2(F)F)on1 ZINC000638688564 1129266377 /nfs/dbraw/zinc/26/63/77/1129266377.db2.gz GVDMNIJXDCGYQT-SKDRFNHKSA-N 0 1 272.339 3.712 20 0 CHADMN Cc1cc(C)cc(-c2nc[nH]c3nc(=S)sc2-3)c1 ZINC001239522023 1131362033 /nfs/dbraw/zinc/36/20/33/1131362033.db2.gz AXIKBBSVOCUUJK-UHFFFAOYSA-N 0 1 273.386 3.659 20 0 CHADMN CSc1cc(C)ccc1CNCc1cc(C)ns1 ZINC000638748733 1129268189 /nfs/dbraw/zinc/26/81/89/1129268189.db2.gz MBDHGORQXBHWJC-UHFFFAOYSA-N 0 1 278.446 3.772 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@@H]1NCc1cc(C#N)ccc1F ZINC000090117296 1129268966 /nfs/dbraw/zinc/26/89/66/1129268966.db2.gz GCGYEXYJCZWPLQ-KZULUSFZSA-N 0 1 280.346 3.720 20 0 CHADMN CO[C@@H](CNCc1nc(C(C)C)cs1)C1CCCC1 ZINC000638763142 1129269299 /nfs/dbraw/zinc/26/92/99/1129269299.db2.gz SYXQRBFAZHALMP-AWEZNQCLSA-N 0 1 282.453 3.561 20 0 CHADMN CCc1noc(CC)c1CNCc1cc2ccccc2n1C ZINC000638768142 1129269798 /nfs/dbraw/zinc/26/97/98/1129269798.db2.gz XCEXQMAHWAFVPG-UHFFFAOYSA-N 0 1 297.402 3.581 20 0 CHADMN Fc1cccc(CCN(C/C=C/Cl)C2CC2)c1 ZINC000733841862 1129270901 /nfs/dbraw/zinc/27/09/01/1129270901.db2.gz KWVFGUDKEIUIIL-KRXBUXKQSA-N 0 1 253.748 3.585 20 0 CHADMN Cc1ccc2nc(SCC(F)(F)C(F)F)[nH]c2c1 ZINC000733870298 1129271788 /nfs/dbraw/zinc/27/17/88/1129271788.db2.gz GQJXCOHXYLAYLQ-UHFFFAOYSA-N 0 1 278.274 3.864 20 0 CHADMN CC[C@H](NCc1cncn1C(C)C)c1ccccc1OC ZINC000090208005 1129274618 /nfs/dbraw/zinc/27/46/18/1129274618.db2.gz JGDVCXVDBVPHRW-INIZCTEOSA-N 0 1 287.407 3.714 20 0 CHADMN CN(Cc1ccc(CC(F)(F)F)cc1)Cc1cccnc1 ZINC000638918904 1129274951 /nfs/dbraw/zinc/27/49/51/1129274951.db2.gz HFYDFPARNGRPMK-UHFFFAOYSA-N 0 1 294.320 3.818 20 0 CHADMN CC(C)CCC1CCN(C(=O)c2cnc(C3CC3)[nH]2)CC1 ZINC000348027683 1129275588 /nfs/dbraw/zinc/27/55/88/1129275588.db2.gz FUIORBJVEPCDGT-UHFFFAOYSA-N 0 1 289.423 3.576 20 0 CHADMN CO[C@H](C)c1nc(CN[C@@H]2CC[C@H]2C(C)(C)C)cs1 ZINC000348077273 1129277659 /nfs/dbraw/zinc/27/76/59/1129277659.db2.gz GUPMQBBQMGDZLR-RAIGVLPGSA-N 0 1 282.453 3.765 20 0 CHADMN C[C@H](c1cccnc1)N(C)[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000639041114 1129278034 /nfs/dbraw/zinc/27/80/34/1129278034.db2.gz RVOAICBESXCLEC-CJNGLKHVSA-N 0 1 299.422 3.514 20 0 CHADMN C[C@H](c1ccncc1)N(C)[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000639041058 1129278159 /nfs/dbraw/zinc/27/81/59/1129278159.db2.gz QLOULHATQFEMAG-CJNGLKHVSA-N 0 1 299.422 3.514 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1cccc(F)c1N ZINC000639065440 1129279260 /nfs/dbraw/zinc/27/92/60/1129279260.db2.gz HIDRJNFNOFLDQX-GXSJLCMTSA-N 0 1 290.304 3.571 20 0 CHADMN CCN(Cc1cc(C)ns1)Cc1c[nH]c2ccccc12 ZINC000639092265 1129281222 /nfs/dbraw/zinc/28/12/22/1129281222.db2.gz YYMIGBPNJIWWLY-UHFFFAOYSA-N 0 1 285.416 3.955 20 0 CHADMN Cc1cccc2c1CN([C@@H](C)c1cnc(C)nc1C)CC2 ZINC000639106647 1129282621 /nfs/dbraw/zinc/28/26/21/1129282621.db2.gz YDZPYSVBYHJBMR-AWEZNQCLSA-N 0 1 281.403 3.521 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(C(F)F)nc1 ZINC000639121108 1129283867 /nfs/dbraw/zinc/28/38/67/1129283867.db2.gz NAXGKOCRLOIBEF-PSASIEDQSA-N 0 1 294.267 3.792 20 0 CHADMN C[C@H](C(=O)OCc1ccc(Cl)cc1)N1CCCCCC1 ZINC000733908858 1129285176 /nfs/dbraw/zinc/28/51/76/1129285176.db2.gz IFOKXXQYALRWCE-CYBMUJFWSA-N 0 1 295.810 3.648 20 0 CHADMN Cc1cnc(CN[C@H]2C[C@H](c3ccc(Cl)cc3)C2)o1 ZINC000639129279 1129285683 /nfs/dbraw/zinc/28/56/83/1129285683.db2.gz QTFPSMGORBRSMF-MQMHXKEQSA-N 0 1 276.767 3.672 20 0 CHADMN C(c1noc([C@@H]2CC[C@H]3CCCC[C@H]3N2)n1)C1CCCC1 ZINC000379120828 1129285742 /nfs/dbraw/zinc/28/57/42/1129285742.db2.gz OASDYPBZFICYAG-KFWWJZLASA-N 0 1 289.423 3.786 20 0 CHADMN Clc1c2ccccc2oc1CN1CCC2(CCO2)CC1 ZINC000639139829 1129286522 /nfs/dbraw/zinc/28/65/22/1129286522.db2.gz SNFBEFUTQHFIMS-UHFFFAOYSA-N 0 1 291.778 3.841 20 0 CHADMN Cc1scc(CN(Cc2cccnc2)C2CC2)c1C ZINC000639180410 1129289872 /nfs/dbraw/zinc/28/98/72/1129289872.db2.gz YPLUXRGCTISIRG-UHFFFAOYSA-N 0 1 272.417 3.925 20 0 CHADMN Cc1scc(CN2CC[C@H](n3cc(Cl)cn3)C2)c1C ZINC000639196942 1129291100 /nfs/dbraw/zinc/29/11/00/1129291100.db2.gz DUNFDVWURFBCFD-AWEZNQCLSA-N 0 1 295.839 3.662 20 0 CHADMN CC[C@H](c1ccccc1)N(Cc1nonc1C)CC(C)C ZINC000734150008 1129296021 /nfs/dbraw/zinc/29/60/21/1129296021.db2.gz WPEBLDIQLYMEOT-QGZVFWFLSA-N 0 1 287.407 3.987 20 0 CHADMN Cn1cc(-c2cc(N3CCCC3)ccn2)c2ccccc21 ZINC001239525711 1131364521 /nfs/dbraw/zinc/36/45/21/1131364521.db2.gz GSOWGSKALKGSEV-UHFFFAOYSA-N 0 1 277.371 3.841 20 0 CHADMN FC(F)c1ccc(CN2CC3(C2)CCCCC3)cn1 ZINC000639249423 1129296747 /nfs/dbraw/zinc/29/67/47/1129296747.db2.gz BBYFFYOJAOJYAN-UHFFFAOYSA-N 0 1 266.335 3.785 20 0 CHADMN c1cc2cc(N[C@H]3[C@@H]4CCO[C@@H]4C34CCC4)ccc2cn1 ZINC000639247009 1129296920 /nfs/dbraw/zinc/29/69/20/1129296920.db2.gz OBAQZONZGVMLME-ULQDDVLXSA-N 0 1 280.371 3.604 20 0 CHADMN Nc1c(F)cccc1CNC1(c2ccccc2F)CCC1 ZINC000639284158 1129298955 /nfs/dbraw/zinc/29/89/55/1129298955.db2.gz QHOYFQMAYGOYDO-UHFFFAOYSA-N 0 1 288.341 3.716 20 0 CHADMN CCOC1CC(CN[C@H](CCc2ccccc2)C(F)F)C1 ZINC000639346245 1129304737 /nfs/dbraw/zinc/30/47/37/1129304737.db2.gz FQUMRFWEJBGYOD-UYSNPLJNSA-N 0 1 297.389 3.658 20 0 CHADMN Cc1cccc(CN2CC[C@@H](O)C[C@H]2c2ccccc2)c1F ZINC000639366547 1129307180 /nfs/dbraw/zinc/30/71/80/1129307180.db2.gz LYRDSCYILQFDDT-MSOLQXFVSA-N 0 1 299.389 3.832 20 0 CHADMN Cc1ccc(CN2CC[C@@H](O)C[C@@H]2c2ccccc2)c(F)c1 ZINC000639371354 1129307877 /nfs/dbraw/zinc/30/78/77/1129307877.db2.gz SAPWSPGHORBTDD-IEBWSBKVSA-N 0 1 299.389 3.832 20 0 CHADMN CN(Cc1nnc(-c2cccc3ccccc32)o1)C1CCC1 ZINC000639501486 1129320086 /nfs/dbraw/zinc/32/00/86/1129320086.db2.gz ZFTYKMGVCWIXDG-UHFFFAOYSA-N 0 1 293.370 3.874 20 0 CHADMN CC[C@@H]1CC[N@@H+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000639514329 1129320879 /nfs/dbraw/zinc/32/08/79/1129320879.db2.gz OWEFYWBXMVRGCP-UPJWGTAASA-N 0 1 291.357 3.656 20 0 CHADMN Cc1ccc([C@H]2CCN(Cc3nc(C4CCC4)no3)C2)cc1 ZINC000639578381 1129324757 /nfs/dbraw/zinc/32/47/57/1129324757.db2.gz WOLVLYOATKFYSC-INIZCTEOSA-N 0 1 297.402 3.635 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N1CCN(CCC)CC1 ZINC000735044292 1129329381 /nfs/dbraw/zinc/32/93/81/1129329381.db2.gz NBDOSSKZLZFIEP-INIZCTEOSA-N 0 1 282.472 3.537 20 0 CHADMN CCCc1nc(C)c(C[N@H+]2CCC[C@@H](c3cccnc3)C2)o1 ZINC000639695190 1129329791 /nfs/dbraw/zinc/32/97/91/1129329791.db2.gz RTMDGVXJQIBOHW-MRXNPFEDSA-N 0 1 299.418 3.710 20 0 CHADMN CCc1coc(CNc2nc(C)cc3ccccc32)n1 ZINC001154778881 1129329885 /nfs/dbraw/zinc/32/98/85/1129329885.db2.gz BDIVGCXVUYJXQU-UHFFFAOYSA-N 0 1 267.332 3.706 20 0 CHADMN Fc1ccc(C[N@H+]2CCC[C@H](c3cccnc3)C2)cc1F ZINC000639691606 1129330190 /nfs/dbraw/zinc/33/01/90/1129330190.db2.gz HDAAGKPJNJCWQR-HNNXBMFYSA-N 0 1 288.341 3.739 20 0 CHADMN Fc1ccc(CN2CCC[C@H](c3cccnc3)C2)cc1F ZINC000639691606 1129330194 /nfs/dbraw/zinc/33/01/94/1129330194.db2.gz HDAAGKPJNJCWQR-HNNXBMFYSA-N 0 1 288.341 3.739 20 0 CHADMN C[C@@H](NCc1nc(C2CCC2)no1)C1CCC(F)(F)CC1 ZINC000639750441 1129331966 /nfs/dbraw/zinc/33/19/66/1129331966.db2.gz ODRGVTZLQVCZSO-SNVBAGLBSA-N 0 1 299.365 3.641 20 0 CHADMN Fc1cccc(C2CC(NCc3ncc(Cl)s3)C2)c1 ZINC000719428265 1129333161 /nfs/dbraw/zinc/33/31/61/1129333161.db2.gz CEEISTYHVHNNCG-UHFFFAOYSA-N 0 1 296.798 3.971 20 0 CHADMN C[C@@H](N)c1nc(-c2nc(C3CCC(C)CC3)no2)cs1 ZINC000090938880 1129336000 /nfs/dbraw/zinc/33/60/00/1129336000.db2.gz ZRTIBFQURGDRJI-HWOCKDDLSA-N 0 1 292.408 3.507 20 0 CHADMN CCC[C@H](C)CCCN1CCC[C@@H]1c1ncccn1 ZINC000639843249 1129336199 /nfs/dbraw/zinc/33/61/99/1129336199.db2.gz CELBDHIVYKOKSG-LSDHHAIUSA-N 0 1 261.413 3.830 20 0 CHADMN CC[C@@H]1CCCN(Cc2ncc(C(C)C)o2)CC1 ZINC000735311474 1129340269 /nfs/dbraw/zinc/34/02/69/1129340269.db2.gz QQNRQWWBUFNMCD-CYBMUJFWSA-N 0 1 250.386 3.810 20 0 CHADMN CC[C@](C)(NCc1c(C)noc1C)c1ccc(F)cc1 ZINC000639927152 1129340472 /nfs/dbraw/zinc/34/04/72/1129340472.db2.gz DBJUJEBKPHSZIL-INIZCTEOSA-N 0 1 276.355 3.846 20 0 CHADMN CC[C@@](C)(NCc1c(C)noc1C)c1ccc(F)cc1 ZINC000639927153 1129340798 /nfs/dbraw/zinc/34/07/98/1129340798.db2.gz DBJUJEBKPHSZIL-MRXNPFEDSA-N 0 1 276.355 3.846 20 0 CHADMN Cc1nnc(CN[C@H]2CCC(C)(C)C[C@@H]2c2ccccc2)o1 ZINC000640106137 1129348080 /nfs/dbraw/zinc/34/80/80/1129348080.db2.gz FJFIDZSZCWUSMI-CVEARBPZSA-N 0 1 299.418 3.830 20 0 CHADMN O[C@@H]1CCN(Cc2ccsc2Cl)[C@H]2CCCC[C@@H]12 ZINC000640102833 1129348544 /nfs/dbraw/zinc/34/85/44/1129348544.db2.gz VDEBCOXUOPYROW-FRRDWIJNSA-N 0 1 285.840 3.527 20 0 CHADMN C[C@H]1CCC[C@H](NC(=O)c2n[nH]c3ccc(Cl)cc32)C1 ZINC001124943765 1131368237 /nfs/dbraw/zinc/36/82/37/1131368237.db2.gz QPSSNQOVNQXMDF-ONGXEEELSA-N 0 1 291.782 3.525 20 0 CHADMN CC(C)(C)n1ncnc1CN1CC[C@]1(C)C1CCCCC1 ZINC000640219129 1129351920 /nfs/dbraw/zinc/35/19/20/1129351920.db2.gz JZFPRDWBPFNHAS-QGZVFWFLSA-N 0 1 290.455 3.578 20 0 CHADMN O=C(c1cc(C(F)F)[nH]n1)N1CCC[C@@H]1CC1CCCC1 ZINC000640636811 1129362517 /nfs/dbraw/zinc/36/25/17/1129362517.db2.gz ASXJINKVMTWOQN-LLVKDONJSA-N 0 1 297.349 3.532 20 0 CHADMN C[C@H](N[C@H]1CCCc2cccnc21)c1ccc(F)cc1 ZINC000091660253 1129367097 /nfs/dbraw/zinc/36/70/97/1129367097.db2.gz ZQVXMFWBGYJJPI-LRDDRELGSA-N 0 1 270.351 3.949 20 0 CHADMN CC[C@@H](C(=O)O[C@H](C)c1cccc(C)c1)N(CC)CC ZINC000736025402 1129368354 /nfs/dbraw/zinc/36/83/54/1129368354.db2.gz VUDGRYXHHCRKHG-ZBFHGGJFSA-N 0 1 277.408 3.720 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CCCC2(CC2)CC1 ZINC000626114263 1129369286 /nfs/dbraw/zinc/36/92/86/1129369286.db2.gz ZPNSHYHKTRSBHM-GFCCVEGCSA-N 0 1 277.412 3.694 20 0 CHADMN c1ccc2c(CSc3nc(C4CC4)n[nH]3)nsc2c1 ZINC000829074037 1129384849 /nfs/dbraw/zinc/38/48/49/1129384849.db2.gz UBGFESHWMBHJAU-UHFFFAOYSA-N 0 1 288.401 3.584 20 0 CHADMN c1ccc2c(CSc3n[nH]c(C4CC4)n3)nsc2c1 ZINC000829074037 1129384851 /nfs/dbraw/zinc/38/48/51/1129384851.db2.gz UBGFESHWMBHJAU-UHFFFAOYSA-N 0 1 288.401 3.584 20 0 CHADMN CSc1ccc(CNCc2sccc2C)o1 ZINC000641710230 1129387239 /nfs/dbraw/zinc/38/72/39/1129387239.db2.gz PCOOMOJKWXIVPZ-UHFFFAOYSA-N 0 1 253.392 3.661 20 0 CHADMN CCn1cc(CNCc2occc2C)c(-c2ccccc2)n1 ZINC000641756553 1129390337 /nfs/dbraw/zinc/39/03/37/1129390337.db2.gz MDLNZUDZDXFOQF-UHFFFAOYSA-N 0 1 295.386 3.761 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1Cc1nnc(C(C)(C)C)o1 ZINC000738314745 1129392580 /nfs/dbraw/zinc/39/25/80/1129392580.db2.gz RHZKHLICCZFSOF-STQMWFEESA-N 0 1 279.428 3.768 20 0 CHADMN CC[C@@](C)(NCc1nccn1C(F)F)c1ccccc1 ZINC000738430153 1129393870 /nfs/dbraw/zinc/39/38/70/1129393870.db2.gz KVFPAUWASPMXPB-OAHLLOKOSA-N 0 1 279.334 3.693 20 0 CHADMN CCc1noc(CN(CCC(C)C)CCC(C)C)n1 ZINC000641979573 1129399706 /nfs/dbraw/zinc/39/97/06/1129399706.db2.gz FKSQHOHCDMRBNC-UHFFFAOYSA-N 0 1 267.417 3.526 20 0 CHADMN c1cc(CN2CCC(OC3CCCCC3)CC2)co1 ZINC000092736180 1129406045 /nfs/dbraw/zinc/40/60/45/1129406045.db2.gz YDKRNOVVFUIRGQ-UHFFFAOYSA-N 0 1 263.381 3.593 20 0 CHADMN Cc1noc([C@@H](C)NCC2(c3ccccc3)CCCC2)n1 ZINC000642194496 1129409601 /nfs/dbraw/zinc/40/96/01/1129409601.db2.gz SMNDHCULZIEQDT-CYBMUJFWSA-N 0 1 285.391 3.541 20 0 CHADMN CCN(Cc1nc(-c2cccc(Cl)c2)no1)CC(C)C ZINC000642526691 1129419388 /nfs/dbraw/zinc/41/93/88/1129419388.db2.gz IMPIIGFFSKRIGB-UHFFFAOYSA-N 0 1 293.798 3.868 20 0 CHADMN CC(C)OCCCN(C)Cn1c2ccccc2oc1=S ZINC000740859148 1129420905 /nfs/dbraw/zinc/42/09/05/1129420905.db2.gz OIQKOOKQOQTEDW-UHFFFAOYSA-N 0 1 294.420 3.668 20 0 CHADMN Cc1nc2c(s1)[C@@H](N(C)Cc1ccoc1)CCC2 ZINC000093365161 1129422234 /nfs/dbraw/zinc/42/22/34/1129422234.db2.gz NJQQJEADWVDOTD-ZDUSSCGKSA-N 0 1 262.378 3.554 20 0 CHADMN O=C(Nc1cccc(Cl)c1)c1cc(-c2ccoc2)n[nH]1 ZINC000642641156 1129423020 /nfs/dbraw/zinc/42/30/20/1129423020.db2.gz VQMBWGSPKBRLOA-UHFFFAOYSA-N 0 1 287.706 3.575 20 0 CHADMN CC(C)CCCCN[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000740898642 1129423559 /nfs/dbraw/zinc/42/35/59/1129423559.db2.gz SHBUTQLICCWVOT-LBPRGKRZSA-N 0 1 267.417 3.844 20 0 CHADMN C[C@H](N[C@@H](C)[C@H]1CC1(F)F)c1nccn1-c1ccccc1 ZINC000642718678 1129424683 /nfs/dbraw/zinc/42/46/83/1129424683.db2.gz FSEGQGSDHXJTTG-SGMGOOAPSA-N 0 1 291.345 3.567 20 0 CHADMN C[C@@H](OC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1F ZINC000741028285 1129427422 /nfs/dbraw/zinc/42/74/22/1129427422.db2.gz DZKMWSHPGMFUOX-ZIAGYGMSSA-N 0 1 293.382 3.694 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)C[C@H]1CCC=CO1 ZINC000248823597 1129427845 /nfs/dbraw/zinc/42/78/45/1129427845.db2.gz FREIGENSKIMPOB-DGCLKSJQSA-N 0 1 267.319 3.650 20 0 CHADMN CC1(C)C[C@@]1(C)NCc1cc(F)ccc1Br ZINC000706511287 1129432592 /nfs/dbraw/zinc/43/25/92/1129432592.db2.gz HYQLNTCLNIYSFY-CYBMUJFWSA-N 0 1 286.188 3.866 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1cccc(C(F)(F)F)c1 ZINC000179979667 1129440885 /nfs/dbraw/zinc/44/08/85/1129440885.db2.gz HDLBBXSBRHMKRV-VIFPVBQESA-N 0 1 283.297 3.588 20 0 CHADMN Clc1ccccc1-c1cnc([C@H]2CCCCN2)nc1 ZINC000094576881 1129447698 /nfs/dbraw/zinc/44/76/98/1129447698.db2.gz ZFIKUXCLEWBLEW-CQSZACIVSA-N 0 1 273.767 3.612 20 0 CHADMN CCCCOC(=O)[C@H](C)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000741789206 1129452868 /nfs/dbraw/zinc/45/28/68/1129452868.db2.gz XVPCPOPLOVMIGY-ZOBUZTSGSA-N 0 1 289.419 3.596 20 0 CHADMN Cc1ccc(CNCc2nc3ccccc3nc2C)cc1F ZINC000795872399 1129453495 /nfs/dbraw/zinc/45/34/95/1129453495.db2.gz MSMCFFUJORRBKQ-UHFFFAOYSA-N 0 1 295.361 3.676 20 0 CHADMN Cc1nc(CNCCSc2ccccc2)sc1C ZINC000094965515 1129456673 /nfs/dbraw/zinc/45/66/73/1129456673.db2.gz YAPGGSCJQDRNRZ-UHFFFAOYSA-N 0 1 278.446 3.642 20 0 CHADMN Cc1ccc(F)c(CN(C)CC[C@@H](O)c2ccccc2)c1 ZINC000796049865 1129465267 /nfs/dbraw/zinc/46/52/67/1129465267.db2.gz NTSNLTVZBGJSAJ-GOSISDBHSA-N 0 1 287.378 3.690 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000180295605 1129467793 /nfs/dbraw/zinc/46/77/93/1129467793.db2.gz KZCSFDWSTRDEEG-YMTOWFKASA-N 0 1 291.782 3.546 20 0 CHADMN CCOc1ccccc1[C@H](CC)N[C@H](C)c1c[nH]nc1C ZINC000180386227 1129471507 /nfs/dbraw/zinc/47/15/07/1129471507.db2.gz BVBUPYBNYWYGJF-WBMJQRKESA-N 0 1 287.407 3.919 20 0 CHADMN Cc1cnc([C@@H](C)N2CCS[C@@H](c3ccccc3)C2)cn1 ZINC000644668661 1129473594 /nfs/dbraw/zinc/47/35/94/1129473594.db2.gz GNGSAXFDTHGXSE-RHSMWYFYSA-N 0 1 299.443 3.636 20 0 CHADMN C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC(C2CC2)CC1 ZINC000644718690 1129476536 /nfs/dbraw/zinc/47/65/36/1129476536.db2.gz KMMZLPMXBHLXJL-ZDUSSCGKSA-N 0 1 297.402 3.920 20 0 CHADMN FC(F)CC1CN(Cc2cc3cc(Cl)cnc3o2)C1 ZINC000644906806 1129480464 /nfs/dbraw/zinc/48/04/64/1129480464.db2.gz KTRWYLHQTYTCNX-UHFFFAOYSA-N 0 1 286.709 3.568 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)/C=C/C3CC3)cc2[nH]1 ZINC000742500889 1129482459 /nfs/dbraw/zinc/48/24/59/1129482459.db2.gz IYECWMQRFVUUAI-RMKNXTFCSA-N 0 1 283.375 3.765 20 0 CHADMN C/C(=C/C(=O)Nc1ccc2nc(C)[nH]c2c1)C(C)(C)C ZINC000742502802 1129482746 /nfs/dbraw/zinc/48/27/46/1129482746.db2.gz FIRCIOZNSMKYJA-NTMALXAHSA-N 0 1 271.364 3.802 20 0 CHADMN O=C(C=CC1CC1)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000742563377 1129485909 /nfs/dbraw/zinc/48/59/09/1129485909.db2.gz YNYUCNJRPDGZQZ-YVMONPNESA-N 0 1 293.326 3.728 20 0 CHADMN CCN(Cn1c(=O)oc2ccc(Cl)cc21)[C@H](C)C(C)C ZINC000742551104 1129487040 /nfs/dbraw/zinc/48/70/40/1129487040.db2.gz ZCYIGNCUYJFUES-LLVKDONJSA-N 0 1 296.798 3.572 20 0 CHADMN C[C@@H](CN1CCO[C@H](c2ccco2)C1)C1CCCCC1 ZINC000645090907 1129487117 /nfs/dbraw/zinc/48/71/17/1129487117.db2.gz DGLOKRAXQQAVKJ-YOEHRIQHSA-N 0 1 277.408 3.869 20 0 CHADMN CCC(N)=NOCc1sc2ccccc2c1Cl ZINC000742580715 1129488765 /nfs/dbraw/zinc/48/87/65/1129488765.db2.gz VVUQLAMAEPRNMA-UHFFFAOYSA-N 0 1 268.769 3.963 20 0 CHADMN CCCCCC[C@](C)(CC)C(=O)NCc1cc(CC)[nH]n1 ZINC000742665494 1129493136 /nfs/dbraw/zinc/49/31/36/1129493136.db2.gz CHFSUXTZINDMBT-KRWDZBQOSA-N 0 1 293.455 3.975 20 0 CHADMN COC[C@H]1CCN1[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001258686041 1129496518 /nfs/dbraw/zinc/49/65/18/1129496518.db2.gz UPTNHRVXTJRRHW-ZWNOBZJWSA-N 0 1 288.218 3.645 20 0 CHADMN COC(C)(C)[C@H](C)NCc1c(Cl)cccc1Cl ZINC000645400528 1129497424 /nfs/dbraw/zinc/49/74/24/1129497424.db2.gz LQWOODAVYLOLCA-VIFPVBQESA-N 0 1 276.207 3.897 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1CCCNc2ccccc21 ZINC000645480688 1129499164 /nfs/dbraw/zinc/49/91/64/1129499164.db2.gz GEHWIYKUDBITAY-QGZVFWFLSA-N 0 1 285.391 3.582 20 0 CHADMN FC(F)(F)[C@@H]1CN(CC2=CCCC2)C[C@H]1C(F)(F)F ZINC000645811024 1129508084 /nfs/dbraw/zinc/50/80/84/1129508084.db2.gz QSRZCUHOHWYCFI-NXEZZACHSA-N 0 1 287.247 3.769 20 0 CHADMN Cc1ccccc1C1(NCc2cccc3c2OCCO3)CC1 ZINC000645979926 1129514936 /nfs/dbraw/zinc/51/49/36/1129514936.db2.gz QPNXCZBKFRXFTE-UHFFFAOYSA-N 0 1 295.382 3.545 20 0 CHADMN OCc1ccc(CNC2(c3ccccc3Cl)CC2)cc1 ZINC000645978457 1129515647 /nfs/dbraw/zinc/51/56/47/1129515647.db2.gz NUWJNRRCMUHWHL-UHFFFAOYSA-N 0 1 287.790 3.611 20 0 CHADMN Fc1cccc(CN2CC[C@@H](c3cccnc3)C2)c1Cl ZINC000645983260 1129516123 /nfs/dbraw/zinc/51/61/23/1129516123.db2.gz MDUJCYABYQIIAC-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1cncc(CNC2(c3ccccc3F)CCC2)c1 ZINC000646024935 1129518182 /nfs/dbraw/zinc/51/81/82/1129518182.db2.gz ZHRHZIBSGQPKBL-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN(C)CCC(C)(C)C ZINC000646027556 1129518430 /nfs/dbraw/zinc/51/84/30/1129518430.db2.gz PCXHNABVALUXQY-UHFFFAOYSA-N 0 1 290.451 3.864 20 0 CHADMN CC1(C)CCC[C@@H]1[C@@H]1CCN(Cc2cscn2)C1 ZINC000646049432 1129518865 /nfs/dbraw/zinc/51/88/65/1129518865.db2.gz HJCRZNDKINDEHN-TZMCWYRMSA-N 0 1 264.438 3.791 20 0 CHADMN CN(CCC(C)(C)C)Cc1nc(-c2ccccc2)no1 ZINC000646027194 1129519465 /nfs/dbraw/zinc/51/94/65/1129519465.db2.gz TWNHBAFLMRAVLV-UHFFFAOYSA-N 0 1 273.380 3.605 20 0 CHADMN CCc1nnc(CN2CC[C@@H]([C@@H]3CCCC3(C)C)C2)s1 ZINC000646052297 1129519839 /nfs/dbraw/zinc/51/98/39/1129519839.db2.gz KJCYWSAWIGQDMI-OLZOCXBDSA-N 0 1 293.480 3.749 20 0 CHADMN C[C@H](c1csnn1)N1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000646052110 1129520497 /nfs/dbraw/zinc/52/04/97/1129520497.db2.gz BJACGZMVXWOFDS-AGIUHOORSA-N 0 1 279.453 3.747 20 0 CHADMN CC(C)[C@@H](C)N(C)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743354585 1129521197 /nfs/dbraw/zinc/52/11/97/1129521197.db2.gz QFTDVVNZQPOVRR-IUODEOHRSA-N 0 1 294.826 3.547 20 0 CHADMN Cc1ccc([C@H]2CCCCN2CN2C(=O)CC23CCC3)cc1 ZINC000743370570 1129522296 /nfs/dbraw/zinc/52/22/96/1129522296.db2.gz PRTHWQIJZZAOMC-QGZVFWFLSA-N 0 1 298.430 3.635 20 0 CHADMN c1nc(CN2CCCC[C@H]2C2CCC2)oc1C1CC1 ZINC000646139325 1129526537 /nfs/dbraw/zinc/52/65/37/1129526537.db2.gz OPQOPRZYVSDEFD-AWEZNQCLSA-N 0 1 260.381 3.707 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(C)cc(Cl)c2)nc1 ZINC000646173289 1129528044 /nfs/dbraw/zinc/52/80/44/1129528044.db2.gz DALGVPSIDZNZLY-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CN(CCCCCCCO)Cc1ccc(F)cc1Cl ZINC000743847553 1129538720 /nfs/dbraw/zinc/53/87/20/1129538720.db2.gz MWXSEDHSGQPCOY-UHFFFAOYSA-N 0 1 287.806 3.854 20 0 CHADMN CC(C)c1cccc(NC(=O)[C@@H]2C[C@@H](C)Cc3cn[nH]c32)c1 ZINC000646609364 1129540562 /nfs/dbraw/zinc/54/05/62/1129540562.db2.gz MEEFTICMSFEADA-BLLLJJGKSA-N 0 1 297.402 3.838 20 0 CHADMN CC[C@@]1(C)CCCN(C[C@H](O)c2c(F)cccc2F)C1 ZINC000743860316 1129541105 /nfs/dbraw/zinc/54/11/05/1129541105.db2.gz ASYCSXXVTPJFHG-HOCLYGCPSA-N 0 1 283.362 3.510 20 0 CHADMN CC[C@@H](C)CCC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000646984100 1129548636 /nfs/dbraw/zinc/54/86/36/1129548636.db2.gz IRYCUVPMXCCDDD-SNVBAGLBSA-N 0 1 259.353 3.636 20 0 CHADMN CCC(CC)N(CC)Cc1csc(Br)n1 ZINC001137584083 1131381587 /nfs/dbraw/zinc/38/15/87/1131381587.db2.gz DOHUBCWQYNXDKO-UHFFFAOYSA-N 0 1 291.258 3.916 20 0 CHADMN C[C@@H](c1nc([C@@H]2CCCN2)no1)c1ccc2ccccc2c1 ZINC000647148565 1129551897 /nfs/dbraw/zinc/55/18/97/1129551897.db2.gz QGPKCAQIJQUTAT-WBMJQRKESA-N 0 1 293.370 3.799 20 0 CHADMN CC(C)Cc1cccc([C@@H](C)c2nc([C@H]3CCCN3)no2)c1 ZINC000647145326 1129551915 /nfs/dbraw/zinc/55/19/15/1129551915.db2.gz SKFYKAGDAFEUIU-CZUORRHYSA-N 0 1 299.418 3.844 20 0 CHADMN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000647181823 1129554878 /nfs/dbraw/zinc/55/48/78/1129554878.db2.gz UEOWLKJLJRAIPR-BZPMIXESSA-N 0 1 288.416 3.638 20 0 CHADMN COc1ccccc1[C@H](N[C@H]1CO[C@H](C)C1)c1ccccc1 ZINC000647181579 1129555357 /nfs/dbraw/zinc/55/53/57/1129555357.db2.gz IUACMRLJSJXSFH-IDHHARJASA-N 0 1 297.398 3.552 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1N[C@H]1CO[C@H](C)C1 ZINC000647210685 1129556582 /nfs/dbraw/zinc/55/65/82/1129556582.db2.gz UJVUXUBLXFZRDP-HZPDHXFCSA-N 0 1 288.435 3.965 20 0 CHADMN CC(C)Cn1nccc1CNc1ccc2cnccc2c1 ZINC000647216367 1129557073 /nfs/dbraw/zinc/55/70/73/1129557073.db2.gz GENNUPJIOAZMFQ-UHFFFAOYSA-N 0 1 280.375 3.699 20 0 CHADMN COc1ccccc1CNC1(c2ccccc2C)CC1 ZINC000647224397 1129557876 /nfs/dbraw/zinc/55/78/76/1129557876.db2.gz FYMILSZQSAUIHW-UHFFFAOYSA-N 0 1 267.372 3.783 20 0 CHADMN COCc1ccc(CNC2(c3ccccc3C)CC2)o1 ZINC000647224441 1129558017 /nfs/dbraw/zinc/55/80/17/1129558017.db2.gz IDPHJPOKXPUMQV-UHFFFAOYSA-N 0 1 271.360 3.513 20 0 CHADMN Cc1ccc(CNC2(c3cccc(F)c3)CCC2)cn1 ZINC000647233471 1129559303 /nfs/dbraw/zinc/55/93/03/1129559303.db2.gz WENQTWNNMUTKJZ-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN CCc1nc2ccc(NCc3[nH]ncc3C)cc2s1 ZINC000647239141 1129559666 /nfs/dbraw/zinc/55/96/66/1129559666.db2.gz HWGWUDRRVNMVFB-UHFFFAOYSA-N 0 1 272.377 3.502 20 0 CHADMN CC(C)C[C@H](NCc1cn2ccccc2n1)c1ccncc1 ZINC000647280887 1129562926 /nfs/dbraw/zinc/56/29/26/1129562926.db2.gz JYSGCNFTVUFDBQ-KRWDZBQOSA-N 0 1 294.402 3.606 20 0 CHADMN C[C@@H](NC1(c2cccc(F)c2)CCC1)c1cccnc1 ZINC000647330175 1129568906 /nfs/dbraw/zinc/56/89/06/1129568906.db2.gz DSHHDTBXZWZMFM-CYBMUJFWSA-N 0 1 270.351 3.951 20 0 CHADMN Cc1cccc(C2(N[C@@H](C)c3ccncn3)CCC2)c1 ZINC000647333577 1129570284 /nfs/dbraw/zinc/57/02/84/1129570284.db2.gz VCMPSLRUEWYXJA-AWEZNQCLSA-N 0 1 267.376 3.515 20 0 CHADMN C[C@H](NC1(c2ccccc2F)CCC1)c1cccnc1 ZINC000647333435 1129570599 /nfs/dbraw/zinc/57/05/99/1129570599.db2.gz RUNXKCKXULHUQS-ZDUSSCGKSA-N 0 1 270.351 3.951 20 0 CHADMN Cc1nc([C@@H](C)N[C@H]2C[C@@H](OC(C)(C)C)C2)c(C)s1 ZINC000647343132 1129570944 /nfs/dbraw/zinc/57/09/44/1129570944.db2.gz DTEKNIHBJIDWCL-WQAKAFBOSA-N 0 1 282.453 3.757 20 0 CHADMN Cc1nc([C@H](C)N[C@H]2C[C@@H](OC(C)(C)C)C2)c(C)s1 ZINC000647343131 1129571046 /nfs/dbraw/zinc/57/10/46/1129571046.db2.gz DTEKNIHBJIDWCL-TVYUQYBPSA-N 0 1 282.453 3.757 20 0 CHADMN CC[C@H](C)C[C@@H](CO)N[C@@H](C)c1csc(C(C)C)n1 ZINC000647336813 1129571076 /nfs/dbraw/zinc/57/10/76/1129571076.db2.gz GSOFQASPLOPFLT-AVGNSLFASA-N 0 1 284.469 3.714 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccccc1F)c1cccs1 ZINC000647346231 1129572340 /nfs/dbraw/zinc/57/23/40/1129572340.db2.gz SSSNEEVSGNEXOS-RISCZKNCSA-N 0 1 279.380 3.662 20 0 CHADMN OCC[C@H](N[C@H]1CCCc2ccccc21)c1ccccc1F ZINC000647345424 1129572829 /nfs/dbraw/zinc/57/28/29/1129572829.db2.gz JEWXKCLHURAZOU-OALUTQOASA-N 0 1 299.389 3.916 20 0 CHADMN Cc1ccc(C2(N[C@H](C)c3nccnc3C)CCC2)cc1 ZINC000647353233 1129574336 /nfs/dbraw/zinc/57/43/36/1129574336.db2.gz UQLMMQUSJKNVFK-OAHLLOKOSA-N 0 1 281.403 3.823 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1CN1c2cccc3cccc(c23)C1=O ZINC000744444108 1129578110 /nfs/dbraw/zinc/57/81/10/1129578110.db2.gz QXYCEZSLGXSSQC-DZGCQCFKSA-N 0 1 294.398 3.878 20 0 CHADMN CC[C@H](CC1CCCCC1)C(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC001137610893 1131385286 /nfs/dbraw/zinc/38/52/86/1131385286.db2.gz JJZMWUMYMCWGBP-BFYDXBDKSA-N 0 1 294.483 3.534 20 0 CHADMN O=C(Cc1[nH]nc2ccccc21)OCCCC1CCCC1 ZINC000744854801 1129588219 /nfs/dbraw/zinc/58/82/19/1129588219.db2.gz MXYUVXPVXKQXCB-UHFFFAOYSA-N 0 1 286.375 3.619 20 0 CHADMN CN(C)Cc1ccc(NC(=O)C=C2CCCCC2)cc1F ZINC000749252106 1129589158 /nfs/dbraw/zinc/58/91/58/1129589158.db2.gz VOUCMNHYDYVRJG-UHFFFAOYSA-N 0 1 290.382 3.716 20 0 CHADMN CC(C)Cn1nccc1CN(C)[C@@H](C)c1ccccc1 ZINC000647999332 1129591375 /nfs/dbraw/zinc/59/13/75/1129591375.db2.gz BJCZTCKGDBYJIV-HNNXBMFYSA-N 0 1 271.408 3.732 20 0 CHADMN Cc1ccc(CCCN2CCO[C@@H](c3ccco3)C2)cc1 ZINC000181981570 1129593089 /nfs/dbraw/zinc/59/30/89/1129593089.db2.gz MSSCEEARMMZTBP-GOSISDBHSA-N 0 1 285.387 3.594 20 0 CHADMN CCC1(CC)CN(Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000648042630 1129593341 /nfs/dbraw/zinc/59/33/41/1129593341.db2.gz KSSJQYYOUUWDEA-UHFFFAOYSA-N 0 1 287.407 3.611 20 0 CHADMN CC(C)[C@@H]1N(Cc2nc3ccccc3n2C)CC12CC=CC2 ZINC000648072866 1129596042 /nfs/dbraw/zinc/59/60/42/1129596042.db2.gz ULVRETGXOZRTGF-SFHVURJKSA-N 0 1 295.430 3.750 20 0 CHADMN CC[C@H](CC1CCCCC1)C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC001137610896 1131384613 /nfs/dbraw/zinc/38/46/13/1131384613.db2.gz JJZMWUMYMCWGBP-ZMSDIMECSA-N 0 1 294.483 3.534 20 0 CHADMN COc1cc(C)cc(-c2ccc3n[nH]c(C)c3c2)c1 ZINC001241669437 1129601856 /nfs/dbraw/zinc/60/18/56/1129601856.db2.gz ZLMUIHMFDJHXQC-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN CCN(Cc1cc(Cl)sc1Cl)C[C@H]1CCOC1 ZINC000648359274 1129603735 /nfs/dbraw/zinc/60/37/35/1129603735.db2.gz QOZZINBXURRUOB-SECBINFHSA-N 0 1 294.247 3.913 20 0 CHADMN CC(C)c1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])c(C(C)C)c1 ZINC000648400068 1129605495 /nfs/dbraw/zinc/60/54/95/1129605495.db2.gz IEIQCOCBXVIJGN-QGZVFWFLSA-N 0 1 289.419 3.982 20 0 CHADMN Cc1cc(CN2CCC3(CC3)C2)ccc1Br ZINC001137613072 1131385012 /nfs/dbraw/zinc/38/50/12/1131385012.db2.gz IBCCGUMILVWPOR-UHFFFAOYSA-N 0 1 280.209 3.743 20 0 CHADMN Cc1nc2cc(Nc3ccc(-n4ccnc4)cc3)ccc2[nH]1 ZINC001213073154 1129610570 /nfs/dbraw/zinc/61/05/70/1129610570.db2.gz GTYIUOAOVMHFRL-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2cnc(CC)s2)cc1 ZINC000037924502 1129611399 /nfs/dbraw/zinc/61/13/99/1129611399.db2.gz OIKLZXOIZKPORV-GFCCVEGCSA-N 0 1 290.432 3.955 20 0 CHADMN CO[C@@H](CN[C@@H](c1ccc(C)cc1)c1ccccn1)C(C)C ZINC000828450480 1131385730 /nfs/dbraw/zinc/38/57/30/1131385730.db2.gz KPDXKEVLWSAWBF-OALUTQOASA-N 0 1 298.430 3.740 20 0 CHADMN Cc1cc(CNCc2ccccc2N2CCCCC2)ccn1 ZINC000648659445 1129618357 /nfs/dbraw/zinc/61/83/57/1129618357.db2.gz AHBZZHYFBBBQRK-UHFFFAOYSA-N 0 1 295.430 3.670 20 0 CHADMN CCO[C@@H]1CCN(Cc2cscc2Cl)C[C@@H]1C ZINC000648740968 1129624344 /nfs/dbraw/zinc/62/43/44/1129624344.db2.gz ABMGGCIGRSDPOK-GXFFZTMASA-N 0 1 273.829 3.648 20 0 CHADMN C[C@H]1CCCN1CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000746091592 1129624904 /nfs/dbraw/zinc/62/49/04/1129624904.db2.gz FBMIVEAORKDJFA-HNNXBMFYSA-N 0 1 294.398 3.776 20 0 CHADMN FC(F)(F)c1cccnc1C[N@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000648761997 1129625019 /nfs/dbraw/zinc/62/50/19/1129625019.db2.gz DVNOUMYLMUNNQF-SWLSCSKDSA-N 0 1 296.336 3.721 20 0 CHADMN FC(F)(F)c1cccnc1CN1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000648761997 1129625021 /nfs/dbraw/zinc/62/50/21/1129625021.db2.gz DVNOUMYLMUNNQF-SWLSCSKDSA-N 0 1 296.336 3.721 20 0 CHADMN Cc1cc(-c2cc(N)c(C(F)(F)F)cn2)cc(C)c1N ZINC001241884030 1129626083 /nfs/dbraw/zinc/62/60/83/1129626083.db2.gz AXEUTBBZGABZAP-UHFFFAOYSA-N 0 1 281.281 3.549 20 0 CHADMN CC(C)[C@H]1N(Cc2nccs2)CC12CCCC2 ZINC000648873565 1129628342 /nfs/dbraw/zinc/62/83/42/1129628342.db2.gz HJUMEBBAIJJRCB-CYBMUJFWSA-N 0 1 250.411 3.544 20 0 CHADMN C[C@H](NCC1CCC1)c1nc(C2CCCCC2)no1 ZINC000185219729 1129632083 /nfs/dbraw/zinc/63/20/83/1129632083.db2.gz VLXIQPOTENQJIP-NSHDSACASA-N 0 1 263.385 3.568 20 0 CHADMN C[C@@H](CN1CCO[C@H](c2cccc(F)c2)C1)C(C)(C)C ZINC001459425647 1129633996 /nfs/dbraw/zinc/63/39/96/1129633996.db2.gz LCJZMUXSKKFBLR-BBRMVZONSA-N 0 1 279.399 3.881 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H]1CCc2ccc(F)cc21 ZINC000187101337 1129635407 /nfs/dbraw/zinc/63/54/07/1129635407.db2.gz ILPUVRSRXKQRAW-BZNIZROVSA-N 0 1 286.350 3.567 20 0 CHADMN COc1cc(CN[C@H](C)c2c(C)noc2C)ccc1Cl ZINC000649410992 1129644027 /nfs/dbraw/zinc/64/40/27/1129644027.db2.gz XSFMYGMJRYUACL-SECBINFHSA-N 0 1 294.782 3.804 20 0 CHADMN C[C@@H]1c2cc(F)cc(F)c2CCN1[C@H]1C=CCCC1 ZINC001459767587 1129650289 /nfs/dbraw/zinc/65/02/89/1129650289.db2.gz MLPDHPRJYSKQPT-YPMHNXCESA-N 0 1 263.331 3.993 20 0 CHADMN C[C@@H](N[C@H]1CCCc2cccnc21)c1ccc2c(c1)OCO2 ZINC000387457593 1129654232 /nfs/dbraw/zinc/65/42/32/1129654232.db2.gz BIHCVJNUFLFBOP-DOMZBBRYSA-N 0 1 296.370 3.539 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cc3n(n2)CCC3)cc1C ZINC000649496617 1129654301 /nfs/dbraw/zinc/65/43/01/1129654301.db2.gz DHUSHOCKZSWRCZ-IBGZPJMESA-N 0 1 295.430 3.783 20 0 CHADMN CCn1ccc(CN[C@H](c2ccccc2)C2CCC2)n1 ZINC000649558862 1129657300 /nfs/dbraw/zinc/65/73/00/1129657300.db2.gz DXOBVKLBZJXLNW-QGZVFWFLSA-N 0 1 269.392 3.534 20 0 CHADMN C[C@]1(NCc2cc3n(n2)CCCC3)CCCc2ccccc21 ZINC000649559460 1129657313 /nfs/dbraw/zinc/65/73/13/1129657313.db2.gz CSHGPBXPKZHEQQ-IBGZPJMESA-N 0 1 295.430 3.561 20 0 CHADMN Cc1nccc(NCc2ccsc2Cl)c1Cl ZINC000390556860 1129658339 /nfs/dbraw/zinc/65/83/39/1129658339.db2.gz QTCVZDNPSIBJDM-UHFFFAOYSA-N 0 1 273.188 3.792 20 0 CHADMN Cc1ccnc(CN[C@H](C)c2cccc(Cl)c2)c1 ZINC000392828498 1129659778 /nfs/dbraw/zinc/65/97/78/1129659778.db2.gz APZATDDSBWPLII-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1ccccc1C[C@@H](C)N(C)Cc1cc2n(n1)CCCC2 ZINC000649594211 1129661663 /nfs/dbraw/zinc/66/16/63/1129661663.db2.gz SHGNSQRYMRTHSK-MRXNPFEDSA-N 0 1 297.446 3.591 20 0 CHADMN C[C@H](NCc1ccon1)[C@H](C)c1nc2ccccc2s1 ZINC000766419554 1129665223 /nfs/dbraw/zinc/66/52/23/1129665223.db2.gz MBQDTWRHASEZLO-QWRGUYRKSA-N 0 1 287.388 3.566 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cn1cccnc1=S ZINC000738241013 1129668912 /nfs/dbraw/zinc/66/89/12/1129668912.db2.gz FPPUEZBPCHVTBI-OAHLLOKOSA-N 0 1 285.416 3.579 20 0 CHADMN CC(C)O[C@@H]1CCCN(Cc2ccccc2OC(F)F)C1 ZINC000649698284 1129670787 /nfs/dbraw/zinc/67/07/87/1129670787.db2.gz WAIQMXXFKKZXQK-CQSZACIVSA-N 0 1 299.361 3.677 20 0 CHADMN CC(C)O[C@H]1CCCN(Cc2ccccc2OC(F)F)C1 ZINC000649698283 1129670863 /nfs/dbraw/zinc/67/08/63/1129670863.db2.gz WAIQMXXFKKZXQK-AWEZNQCLSA-N 0 1 299.361 3.677 20 0 CHADMN CC[C@H]1COC(C)(C)CN1Cc1cnc2ccccc2c1 ZINC000649717277 1129672857 /nfs/dbraw/zinc/67/28/57/1129672857.db2.gz ASZIYKNLVPCBBV-INIZCTEOSA-N 0 1 284.403 3.624 20 0 CHADMN C[C@H](c1ccccn1)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000649709563 1129673063 /nfs/dbraw/zinc/67/30/63/1129673063.db2.gz QXPYOTRBMIIBNQ-SNVBAGLBSA-N 0 1 288.288 3.509 20 0 CHADMN CCC[C@@H](C)NC(=O)[C@@H](C)N[C@@H](CC)c1ccccc1F ZINC000649738653 1129673596 /nfs/dbraw/zinc/67/35/96/1129673596.db2.gz PVCILCDLFVOPDB-IOASZLSFSA-N 0 1 294.414 3.560 20 0 CHADMN CC[C@H]1CN(Cc2cc(C)nc3ccccc23)[C@@H](C)CO1 ZINC000649734486 1129673659 /nfs/dbraw/zinc/67/36/59/1129673659.db2.gz XOTLTNXXTURALL-HOCLYGCPSA-N 0 1 284.403 3.543 20 0 CHADMN FC(F)(F)[C@@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000828528881 1131389997 /nfs/dbraw/zinc/38/99/97/1131389997.db2.gz CEXMQZLQHAGIID-LLVKDONJSA-N 0 1 277.717 3.767 20 0 CHADMN C[C@H](NC1(C2CCC2)CC1)c1nnc(-c2ccccc2)o1 ZINC000649807141 1129678525 /nfs/dbraw/zinc/67/85/25/1129678525.db2.gz MCJBBIVHLIEPBA-LBPRGKRZSA-N 0 1 283.375 3.720 20 0 CHADMN CCCCC[C@@H](C)NCc1nnc(C(C)C)s1 ZINC000766548163 1129684231 /nfs/dbraw/zinc/68/42/31/1129684231.db2.gz BWQYOAFRLPGGRI-LLVKDONJSA-N 0 1 255.431 3.720 20 0 CHADMN Cc1ccc(CN(C)[C@@H]2CCc3ccc(F)cc32)nc1 ZINC000649900582 1129684491 /nfs/dbraw/zinc/68/44/91/1129684491.db2.gz KNBDQSBNDVLUJI-QGZVFWFLSA-N 0 1 270.351 3.648 20 0 CHADMN CCc1cccc(CN(C)Cc2ccc(C)cn2)c1 ZINC000649903989 1129685084 /nfs/dbraw/zinc/68/50/84/1129685084.db2.gz FVGSCUZDNBBRCH-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN ClC1(Cl)C[C@@H]1CCN1CCOC2(CCCCC2)C1 ZINC000822640386 1131390952 /nfs/dbraw/zinc/39/09/52/1131390952.db2.gz VEYOQOGHCGRXLW-LBPRGKRZSA-N 0 1 292.250 3.605 20 0 CHADMN Cc1cnc(CN)n1-c1cccc2c3ccccc3oc21 ZINC001169029882 1129690480 /nfs/dbraw/zinc/69/04/80/1129690480.db2.gz WYZIRSAHPCPWNO-UHFFFAOYSA-N 0 1 277.327 3.539 20 0 CHADMN CCN([C@@H](C)C(=O)OC)[C@H](Cc1ccccc1)CC(C)C ZINC001169083770 1129698420 /nfs/dbraw/zinc/69/84/20/1129698420.db2.gz FSGVIZSVSVQHTM-RDJZCZTQSA-N 0 1 291.435 3.527 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc3c(c2)C[C@@H](C)O3)o1 ZINC000720781664 1129699626 /nfs/dbraw/zinc/69/96/26/1129699626.db2.gz RXJAIUQLACEOKO-OLZOCXBDSA-N 0 1 271.360 3.762 20 0 CHADMN Fc1cc(CN2CCC23CCCC3)ccc1Cl ZINC001137649332 1131391625 /nfs/dbraw/zinc/39/16/25/1131391625.db2.gz BISWDIIFODOGHQ-UHFFFAOYSA-N 0 1 253.748 3.998 20 0 CHADMN CC(C)(C)C[C@H]1CCN(Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000650334246 1129705083 /nfs/dbraw/zinc/70/50/83/1129705083.db2.gz CXSKFHGCZJQXSW-CYBMUJFWSA-N 0 1 299.418 3.594 20 0 CHADMN OCC[C@H](NC/C=C/Cl)c1ccc(Cl)c(Cl)c1 ZINC000796428116 1129708795 /nfs/dbraw/zinc/70/87/95/1129708795.db2.gz CJLXENBNARYCAE-FDQQOCSASA-N 0 1 294.609 3.759 20 0 CHADMN Fc1cc2[nH]cnc2cc1N[C@@H]1CCCC(F)(F)C1 ZINC001169220690 1129709559 /nfs/dbraw/zinc/70/95/59/1129709559.db2.gz XSAKAZPMFOSVSE-MRVPVSSYSA-N 0 1 269.270 3.692 20 0 CHADMN Fc1cc2[nH]cnc2cc1N[C@@H](C1CCC1)C(F)(F)F ZINC001169288252 1129716239 /nfs/dbraw/zinc/71/62/39/1129716239.db2.gz RGGWSLLZAZKEEE-LBPRGKRZSA-N 0 1 287.260 3.845 20 0 CHADMN CC(C)(NCc1cccc2c1OCO2)c1ccc(F)cc1 ZINC000103173248 1129718720 /nfs/dbraw/zinc/71/87/20/1129718720.db2.gz SZSCXEOXWPZSJP-UHFFFAOYSA-N 0 1 287.334 3.579 20 0 CHADMN CC1(NCc2cc(Cl)cc3c2OCC3)CC(F)(F)C1 ZINC000720904648 1129719470 /nfs/dbraw/zinc/71/94/70/1129719470.db2.gz TWVORHRMQOLWRF-UHFFFAOYSA-N 0 1 287.737 3.552 20 0 CHADMN COc1ccc(Cl)cc1CNC1(C)CC(F)(F)C1 ZINC000720968593 1129731874 /nfs/dbraw/zinc/73/18/74/1129731874.db2.gz ZFDVNNNSWHUEJC-UHFFFAOYSA-N 0 1 275.726 3.626 20 0 CHADMN Cc1cc(CN[C@H]2CC[C@@H](C)c3ccsc32)ncn1 ZINC000651280099 1129736136 /nfs/dbraw/zinc/73/61/36/1129736136.db2.gz JGPXERZXFOEXOP-YGRLFVJLSA-N 0 1 273.405 3.575 20 0 CHADMN CCCN(Cc1cccnc1Br)CC(C)C ZINC001137802464 1131417387 /nfs/dbraw/zinc/41/73/87/1131417387.db2.gz ZZNXHWUSBBNMSI-UHFFFAOYSA-N 0 1 285.229 3.712 20 0 CHADMN c1cc2c(s1)CCCN(Cc1cc3cnccc3o1)C2 ZINC000651637604 1129743106 /nfs/dbraw/zinc/74/31/06/1129743106.db2.gz WWJMZEMOKQQNGP-UHFFFAOYSA-N 0 1 284.384 3.838 20 0 CHADMN c1c2cnccc2oc1CN1CCC[C@@H]1c1cccnc1 ZINC000651807673 1129748574 /nfs/dbraw/zinc/74/85/74/1129748574.db2.gz MWOBLWYONISWQL-MRXNPFEDSA-N 0 1 279.343 3.560 20 0 CHADMN CCn1c2ccccc2nc1CN1CCC12CCCC2 ZINC000651874399 1129751481 /nfs/dbraw/zinc/75/14/81/1129751481.db2.gz YBCKGFXHOXPCGM-UHFFFAOYSA-N 0 1 269.392 3.575 20 0 CHADMN C[C@H](O)[C@@H](N[C@@H](C)c1ccccc1)c1ccccc1F ZINC000651892665 1129751586 /nfs/dbraw/zinc/75/15/86/1129751586.db2.gz GKKNTJAXZAZDCE-GDZNZVCISA-N 0 1 273.351 3.598 20 0 CHADMN FC(F)(F)c1cnc(CNC2(C3CCC3)CC2)s1 ZINC000651958524 1129752890 /nfs/dbraw/zinc/75/28/90/1129752890.db2.gz DGXXCXCNFBELPL-UHFFFAOYSA-N 0 1 276.327 3.584 20 0 CHADMN Fc1ccc(/C=C/C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1F ZINC000652064539 1129757181 /nfs/dbraw/zinc/75/71/81/1129757181.db2.gz RJOCZBMWJKJAFR-YUKKFKLSSA-N 0 1 285.284 3.709 20 0 CHADMN Cc1ccccc1C1(N[C@@H](C)c2cnccn2)CCC1 ZINC000652217728 1129759927 /nfs/dbraw/zinc/75/99/27/1129759927.db2.gz GVWBUMJPBUFAAL-AWEZNQCLSA-N 0 1 267.376 3.515 20 0 CHADMN C[C@@H](NC1(c2ccccc2Cl)CCC1)c1cn[nH]c1 ZINC000652216162 1129760145 /nfs/dbraw/zinc/76/01/45/1129760145.db2.gz KHDWBQAXDJCDND-LLVKDONJSA-N 0 1 275.783 3.793 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H]1N[C@H](C)c1nccs1 ZINC000652239992 1129760716 /nfs/dbraw/zinc/76/07/16/1129760716.db2.gz LXXGTRYZAUIDMO-KWCYVHTRSA-N 0 1 258.390 3.658 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCN1[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001169878700 1129761112 /nfs/dbraw/zinc/76/11/12/1129761112.db2.gz ACQQEMPTVWENKI-ICGCDAGXSA-N 0 1 287.300 3.954 20 0 CHADMN CC(C)CC[N@@H+](C)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000652388701 1129764269 /nfs/dbraw/zinc/76/42/69/1129764269.db2.gz VEECVPBAJMPYJE-ZDUSSCGKSA-N 0 1 287.762 3.583 20 0 CHADMN Cc1ccc(C[N@H+](Cc2csc(C(=O)[O-])c2)C2CC2)o1 ZINC000652387787 1129764413 /nfs/dbraw/zinc/76/44/13/1129764413.db2.gz WHODPRWKJONKQR-UHFFFAOYSA-N 0 1 291.372 3.512 20 0 CHADMN Cc1ccc(C[N@@H+](Cc2csc(C(=O)[O-])c2)C2CC2)o1 ZINC000652387787 1129764415 /nfs/dbraw/zinc/76/44/15/1129764415.db2.gz WHODPRWKJONKQR-UHFFFAOYSA-N 0 1 291.372 3.512 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CC[C@@H](OC(C)C)C1 ZINC001139012079 1129766513 /nfs/dbraw/zinc/76/65/13/1129766513.db2.gz WMLCEXGJVCXZOP-OAHLLOKOSA-N 0 1 297.826 3.738 20 0 CHADMN FC(F)[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cn2)C1 ZINC001139014890 1129772503 /nfs/dbraw/zinc/77/25/03/1129772503.db2.gz KLENIYJHNQJOCC-SECBINFHSA-N 0 1 294.267 3.578 20 0 CHADMN NC1(c2noc(CCC3CCCCCC3)n2)CCCC1 ZINC000653490419 1129781909 /nfs/dbraw/zinc/78/19/09/1129781909.db2.gz GXPYMEZMFMSEEJ-UHFFFAOYSA-N 0 1 277.412 3.701 20 0 CHADMN CC(C)(CCN1CCO[C@H](c2cccc(O)c2)C1)C1CC1 ZINC000653571099 1129785931 /nfs/dbraw/zinc/78/59/31/1129785931.db2.gz WDUCZRXCBFLCHE-KRWDZBQOSA-N 0 1 289.419 3.592 20 0 CHADMN Cc1cccc(CN2CCc3ccccc3C2)c1F ZINC001137672388 1131397724 /nfs/dbraw/zinc/39/77/24/1131397724.db2.gz CXLUYGSWYRELFS-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN Cc1cc(CN[C@@H](c2cccnc2)C2CC2)c(C)o1 ZINC000767392476 1129791921 /nfs/dbraw/zinc/79/19/21/1129791921.db2.gz IUQHFZXHSTXNJX-MRXNPFEDSA-N 0 1 256.349 3.532 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](OC3CCC3)C2)s1 ZINC000653812523 1129796284 /nfs/dbraw/zinc/79/62/84/1129796284.db2.gz LQHFUEJQDXEALN-GFCCVEGCSA-N 0 1 285.840 3.935 20 0 CHADMN CC(C)CCN[C@H](Cc1ccccc1)c1ncco1 ZINC000653909306 1129800968 /nfs/dbraw/zinc/80/09/68/1129800968.db2.gz FKHBHRYUZDWVGY-OAHLLOKOSA-N 0 1 258.365 3.594 20 0 CHADMN C[C@@H](c1ccccn1)N1C[C@H](C)OC2(CCCCC2)C1 ZINC000653903684 1129801175 /nfs/dbraw/zinc/80/11/75/1129801175.db2.gz GYBBZKMLJIHNBX-GJZGRUSLSA-N 0 1 274.408 3.566 20 0 CHADMN Cc1cccc(CN2CCC3(CCC(=O)CC3)CC2)c1F ZINC001137678268 1131398504 /nfs/dbraw/zinc/39/85/04/1131398504.db2.gz FMHQEMBUBOOKBL-UHFFFAOYSA-N 0 1 289.394 3.859 20 0 CHADMN CCc1cc2c(ccnc2N=C(C)CC(=O)OC(C)C)o1 ZINC001156514835 1129802756 /nfs/dbraw/zinc/80/27/56/1129802756.db2.gz HHYPYLKSZLWVCR-FLIBITNWSA-N 0 1 288.347 3.658 20 0 CHADMN O=C1SCCN1CN1CCC[C@@H]1CCC1CCCC1 ZINC000767753043 1129814395 /nfs/dbraw/zinc/81/43/95/1129814395.db2.gz HSHBDTUUUPNFHI-CQSZACIVSA-N 0 1 282.453 3.548 20 0 CHADMN [O-]c1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1Cl ZINC000767929820 1129822024 /nfs/dbraw/zinc/82/20/24/1129822024.db2.gz RAUUXNOSQDOQTC-ZDUSSCGKSA-N 0 1 295.810 3.627 20 0 CHADMN C[C@@H]1CN(Cc2cc3ccccc3s2)CCCC1=O ZINC001137681102 1131399752 /nfs/dbraw/zinc/39/97/52/1131399752.db2.gz HFSIOUIDWWQXBN-GFCCVEGCSA-N 0 1 273.401 3.702 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cncs2)c(C)s1 ZINC000381248777 1129835932 /nfs/dbraw/zinc/83/59/32/1129835932.db2.gz OTUDKEOFDMHYOO-VIFPVBQESA-N 0 1 252.408 3.672 20 0 CHADMN Cc1cccc2ncc(CN3Cc4ccccc4[C@@H](C)C3)n21 ZINC000768195614 1129843273 /nfs/dbraw/zinc/84/32/73/1129843273.db2.gz OPWOYIRSOIIUIG-AWEZNQCLSA-N 0 1 291.398 3.762 20 0 CHADMN C[C@@H](c1ccco1)N(C)Cc1ccc2c(c1)COC2 ZINC000768263480 1129849068 /nfs/dbraw/zinc/84/90/68/1129849068.db2.gz QZBACFZFFISQGG-LBPRGKRZSA-N 0 1 257.333 3.503 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@]2(C)CC2(Cl)Cl)cs1 ZINC000828816475 1131402058 /nfs/dbraw/zinc/40/20/58/1131402058.db2.gz WXFDNHBRCMWHKT-GMSGAONNSA-N 0 1 279.236 3.686 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2cccc3cc[nH]c32)no1 ZINC000768427456 1129857104 /nfs/dbraw/zinc/85/71/04/1129857104.db2.gz AWFISPHZYBTQOA-MRXNPFEDSA-N 0 1 281.359 3.801 20 0 CHADMN Cl/C=C\CN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000768543942 1129864180 /nfs/dbraw/zinc/86/41/80/1129864180.db2.gz XNHCBLAVNSDBTN-HXUAIIEXSA-N 0 1 296.867 3.954 20 0 CHADMN COC(=O)c1cc2ccc(C=Cc3ccccc3)nc2[nH]1 ZINC001239591458 1131403293 /nfs/dbraw/zinc/40/32/93/1131403293.db2.gz CCEZIOPDORBDAM-VQHVLOKHSA-N 0 1 278.311 3.520 20 0 CHADMN Cc1cc(C)c(NC(=O)[C@H]2C[C@@H](C)Cc3cn[nH]c32)c(C)c1 ZINC000900304384 1129876355 /nfs/dbraw/zinc/87/63/55/1129876355.db2.gz APDLKFKJNVZZSJ-NHYWBVRUSA-N 0 1 297.402 3.640 20 0 CHADMN Cc1cc(C)c(NC(=O)[C@@H]2C[C@@H](C)Cc3cn[nH]c32)c(C)c1 ZINC000900304385 1129876440 /nfs/dbraw/zinc/87/64/40/1129876440.db2.gz APDLKFKJNVZZSJ-XHDPSFHLSA-N 0 1 297.402 3.640 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2cc(C)n(C)n2)s1 ZINC000800476567 1129876723 /nfs/dbraw/zinc/87/67/23/1129876723.db2.gz LHRZFSWERNRSGQ-RYUDHWBXSA-N 0 1 263.410 3.510 20 0 CHADMN COc1cc2[nH]cnc2cc1C=Cc1ccccc1 ZINC001239593746 1131404745 /nfs/dbraw/zinc/40/47/45/1131404745.db2.gz JPLWFDWWNMDQFV-BQYQJAHWSA-N 0 1 250.301 3.742 20 0 CHADMN CCCCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C)[C@@H](C)CC ZINC000900631768 1129888300 /nfs/dbraw/zinc/88/83/00/1129888300.db2.gz QIHSDKBWUJGROQ-WWGRRREGSA-N 0 1 291.439 3.503 20 0 CHADMN CCCCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)[C@@H](C)CC ZINC000900631770 1129888321 /nfs/dbraw/zinc/88/83/21/1129888321.db2.gz QIHSDKBWUJGROQ-XEZPLFJOSA-N 0 1 291.439 3.503 20 0 CHADMN CN(Cc1c[nH]c2ccc(Cl)cc12)Cc1ccncc1 ZINC001137708523 1131405361 /nfs/dbraw/zinc/40/53/61/1131405361.db2.gz WWRFPJMISLAGKF-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CN(Cc1c[nH]c2ccc(Cl)cc12)Cc1ccccn1 ZINC001137708454 1131405810 /nfs/dbraw/zinc/40/58/10/1131405810.db2.gz URZDPBOWNAQGBU-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2coc(C3CC3)n2)C1 ZINC000769404870 1129906850 /nfs/dbraw/zinc/90/68/50/1129906850.db2.gz SWUKWLLUZDVRHP-CQSZACIVSA-N 0 1 280.437 3.660 20 0 CHADMN Cc1cc(CN2C[C@H](C)CC[C@H]2C)cnc1Cl ZINC000769444926 1129908547 /nfs/dbraw/zinc/90/85/47/1129908547.db2.gz AEZUZLQSVRHCOD-ZYHUDNBSSA-N 0 1 252.789 3.664 20 0 CHADMN Clc1nc2ccccn2c1CN1CCC2(CCCC2)C1 ZINC000769393527 1129908683 /nfs/dbraw/zinc/90/86/83/1129908683.db2.gz DOIQRXGMOJGEEP-UHFFFAOYSA-N 0 1 289.810 3.754 20 0 CHADMN c1ccc(-c2ccccc2CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000769436854 1129908918 /nfs/dbraw/zinc/90/89/18/1129908918.db2.gz ZKDWLUBVNWHCCS-HDICACEKSA-N 0 1 279.383 3.717 20 0 CHADMN c1oc(C2CC2)nc1CN1CCC2(C1)CCCCC2 ZINC000769489031 1129909322 /nfs/dbraw/zinc/90/93/22/1129909322.db2.gz VKZMZPFZULXAKP-UHFFFAOYSA-N 0 1 260.381 3.708 20 0 CHADMN Brc1ccoc1CN(CC1CC1)CC1CC1 ZINC000769451902 1129910813 /nfs/dbraw/zinc/91/08/13/1129910813.db2.gz OIEVXPXLVYFQNQ-UHFFFAOYSA-N 0 1 284.197 3.664 20 0 CHADMN C/C(=C(\F)C(=O)Nc1cccc(-c2cn[nH]c2)c1)C1CC1 ZINC000901252311 1129913024 /nfs/dbraw/zinc/91/30/24/1129913024.db2.gz ZUIYJTVECVNJSX-XNTDXEJSSA-N 0 1 285.322 3.669 20 0 CHADMN Clc1ccc2[nH]cc(C[N@H+]3CCC[C@@]34CCOC4)c2c1 ZINC001137713843 1131406902 /nfs/dbraw/zinc/40/69/02/1131406902.db2.gz AMJPJYCJYDXNHC-INIZCTEOSA-N 0 1 290.794 3.576 20 0 CHADMN Cc1cc(CN2CCS[C@H]3CCCC[C@H]32)cnc1Cl ZINC000769497957 1129913725 /nfs/dbraw/zinc/91/37/25/1129913725.db2.gz HWQPVCXZIXLPCQ-KGLIPLIRSA-N 0 1 296.867 3.903 20 0 CHADMN CC[C@@]1(C)CCN(Cc2occc2Br)C1 ZINC000769519056 1129915357 /nfs/dbraw/zinc/91/53/57/1129915357.db2.gz IBUJLQSJYYZWQQ-LBPRGKRZSA-N 0 1 272.186 3.664 20 0 CHADMN CCS[C@@H]1CC[C@H](N(C)Cc2coc(C3CC3)n2)C1 ZINC000769547989 1129917261 /nfs/dbraw/zinc/91/72/61/1129917261.db2.gz FTXHXYZHRLVOTK-UONOGXRCSA-N 0 1 280.437 3.658 20 0 CHADMN Cc1ccc(NC(=O)c2c(O)cccc2Cl)c(C)c1 ZINC000769575144 1129917838 /nfs/dbraw/zinc/91/78/38/1129917838.db2.gz ORVBNAFRQCEUDM-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN C[C@@H]1CCC[C@@H]1CC(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000769584602 1129918738 /nfs/dbraw/zinc/91/87/38/1129918738.db2.gz HFLPOMMTYHWHGU-CHWSQXEVSA-N 0 1 292.398 3.652 20 0 CHADMN C[C@H]1Cc2ccccc2N1C(=O)c1c(O)cccc1Cl ZINC000769647883 1129920291 /nfs/dbraw/zinc/92/02/91/1129920291.db2.gz UENOENDNBNAKJQ-JTQLQIEISA-N 0 1 287.746 3.637 20 0 CHADMN CC(C)(N)c1cc(-c2ccccc2C(F)(F)F)no1 ZINC000901398571 1129921064 /nfs/dbraw/zinc/92/10/64/1129921064.db2.gz VHLVOIVPIDZOGQ-UHFFFAOYSA-N 0 1 270.254 3.554 20 0 CHADMN CC(C)Oc1ccccc1-c1cc([C@@H](N)C(C)C)on1 ZINC000901398185 1129921108 /nfs/dbraw/zinc/92/11/08/1129921108.db2.gz LOQANHYOOICDIY-INIZCTEOSA-N 0 1 274.364 3.785 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC000901415827 1129922846 /nfs/dbraw/zinc/92/28/46/1129922846.db2.gz ABJXHIGHZQCLLC-CYBMUJFWSA-N 0 1 299.370 3.877 20 0 CHADMN CCc1oc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000901418530 1129923380 /nfs/dbraw/zinc/92/33/80/1129923380.db2.gz IYFNPYBZPHNYEW-CQSZACIVSA-N 0 1 299.370 3.530 20 0 CHADMN CC[N@H+](CC(=O)[O-])CC1CCC2(CCCCC2)CC1 ZINC000901423708 1129923820 /nfs/dbraw/zinc/92/38/20/1129923820.db2.gz HPHTWIJYFGFEAF-UHFFFAOYSA-N 0 1 267.413 3.534 20 0 CHADMN O=C(Nc1cccc2[nH]ccc21)c1c(O)cccc1Cl ZINC000769748211 1129924591 /nfs/dbraw/zinc/92/45/91/1129924591.db2.gz CUYFFIBEXMCCCN-UHFFFAOYSA-N 0 1 286.718 3.779 20 0 CHADMN Cc1ccc(-c2cnn(CN3CCCC4(CC4)C3)c2)cc1 ZINC000769799940 1129926360 /nfs/dbraw/zinc/92/63/60/1129926360.db2.gz QAKHVKQBVPXJLS-UHFFFAOYSA-N 0 1 281.403 3.692 20 0 CHADMN F[C@@]1(c2ccccc2)CCN(Cc2ccc3c(c2)COC3)C1 ZINC000801588464 1129930089 /nfs/dbraw/zinc/93/00/89/1129930089.db2.gz PKIJUHNCVHHNHM-IBGZPJMESA-N 0 1 297.373 3.788 20 0 CHADMN CC1=CCC[C@@H](C)[C@H]1C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000901592146 1129937973 /nfs/dbraw/zinc/93/79/73/1129937973.db2.gz OFCWQVGHRFDMAA-PBHICJAKSA-N 0 1 287.403 3.809 20 0 CHADMN CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000901592147 1129938102 /nfs/dbraw/zinc/93/81/02/1129938102.db2.gz OFCWQVGHRFDMAA-RHSMWYFYSA-N 0 1 287.403 3.809 20 0 CHADMN CCC[C@@H](C)C[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000901590790 1129938224 /nfs/dbraw/zinc/93/82/24/1129938224.db2.gz OKANPJXFLPCOIY-GFCCVEGCSA-N 0 1 283.799 3.663 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])C[C@@H](CC(C)C)c1ccccc1 ZINC000901602420 1129938562 /nfs/dbraw/zinc/93/85/62/1129938562.db2.gz RLOBLNZYNWKIQS-MRXNPFEDSA-N 0 1 277.408 3.613 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000901699144 1129945552 /nfs/dbraw/zinc/94/55/52/1129945552.db2.gz KXYPLIHUGFERBE-GOEBONIOSA-N 0 1 269.429 3.780 20 0 CHADMN c1ccc2c(c1)n[nH]c2CNc1ccc2c(c1)CCCO2 ZINC000770558965 1129950453 /nfs/dbraw/zinc/95/04/53/1129950453.db2.gz QOWXOHSRZYHVHT-UHFFFAOYSA-N 0 1 279.343 3.500 20 0 CHADMN CC1=C[C@H](C)C[C@H](C[N@H+]2CCc3cccc(C(=O)[O-])c3C2)C1 ZINC000901779924 1129952196 /nfs/dbraw/zinc/95/21/96/1129952196.db2.gz VNCOBPGPBYRNKJ-ZFWWWQNUSA-N 0 1 299.414 3.735 20 0 CHADMN COc1cc2c(cc1F)CN(CCSC(C)(C)C)CC2 ZINC000801938290 1129962125 /nfs/dbraw/zinc/96/21/25/1129962125.db2.gz DBIOAISKPAFDSV-UHFFFAOYSA-N 0 1 297.439 3.724 20 0 CHADMN O=C([O-])[C@]12C[N@@H+](Cc3cccc(C4CC4)c3)C[C@H]1CCCC2 ZINC000901910082 1129965417 /nfs/dbraw/zinc/96/54/17/1129965417.db2.gz BSBFNSYGWBPLEH-IEBWSBKVSA-N 0 1 299.414 3.641 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000902010311 1129971246 /nfs/dbraw/zinc/97/12/46/1129971246.db2.gz CYDXMRDPVKEUAB-JONQDZQNSA-N 0 1 281.440 3.778 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000902010312 1129971383 /nfs/dbraw/zinc/97/13/83/1129971383.db2.gz CYDXMRDPVKEUAB-VGWMRTNUSA-N 0 1 281.440 3.778 20 0 CHADMN CCCCC[C@@H](C)CC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000771046766 1129971356 /nfs/dbraw/zinc/97/13/56/1129971356.db2.gz IVJDXFPPJQSRFL-SECBINFHSA-N 0 1 291.317 3.974 20 0 CHADMN CCCCCC(C)(C)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000771045017 1129971468 /nfs/dbraw/zinc/97/14/68/1129971468.db2.gz KLXNMLXCKCDKFR-UHFFFAOYSA-N 0 1 291.317 3.974 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)[C@H](C(=O)[O-])C1 ZINC000902018087 1129972108 /nfs/dbraw/zinc/97/21/08/1129972108.db2.gz TXFXLBCXWJASTK-BBRMVZONSA-N 0 1 299.370 3.632 20 0 CHADMN O=C([O-])[C@@H]1CCCCC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000902038819 1129973243 /nfs/dbraw/zinc/97/32/43/1129973243.db2.gz CGZLHEIHHMAFGG-INIZCTEOSA-N 0 1 299.370 3.776 20 0 CHADMN CCNc1ccccc1CNCc1ccc(F)c(F)c1 ZINC000902105950 1129980529 /nfs/dbraw/zinc/98/05/29/1129980529.db2.gz YFYPKEROEVHLAE-UHFFFAOYSA-N 0 1 276.330 3.686 20 0 CHADMN CCn1cnc(CN[C@@H](c2ccccc2)C2CCCC2)c1 ZINC000902126164 1129982441 /nfs/dbraw/zinc/98/24/41/1129982441.db2.gz GFLHADMQVDZXSA-SFHVURJKSA-N 0 1 283.419 3.924 20 0 CHADMN CS/C=C\C(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000771600669 1129985682 /nfs/dbraw/zinc/98/56/82/1129985682.db2.gz BNXUPZNAIKXBNI-RPSMYOMKSA-N 0 1 296.779 3.697 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1nc2c(s1)CCC2 ZINC000771817712 1129991119 /nfs/dbraw/zinc/99/11/19/1129991119.db2.gz DBKZNXHMOHIBJT-AWEZNQCLSA-N 0 1 284.428 3.717 20 0 CHADMN Cc1cccc2c1CC[C@@H]2NCc1nc2c(s1)CCC2 ZINC000771829684 1129991659 /nfs/dbraw/zinc/99/16/59/1129991659.db2.gz KZLYFEUUHLGCRK-AWEZNQCLSA-N 0 1 284.428 3.717 20 0 CHADMN Cc1cccc2c1CC[C@H]2NCc1nc2c(s1)CCC2 ZINC000771829685 1129991848 /nfs/dbraw/zinc/99/18/48/1129991848.db2.gz KZLYFEUUHLGCRK-CQSZACIVSA-N 0 1 284.428 3.717 20 0 CHADMN CNc1ccc(C)cc1CN[C@@H]1CSc2ccccc21 ZINC000902256612 1129993851 /nfs/dbraw/zinc/99/38/51/1129993851.db2.gz SYNDDYLXRXNIDZ-MRXNPFEDSA-N 0 1 284.428 3.973 20 0 CHADMN Cc1nc(-c2ccc(C(C)(C)C)cc2)nc2nc[nH]c21 ZINC001239606284 1130009699 /nfs/dbraw/zinc/00/96/99/1130009699.db2.gz VQIIOKMIGSEMBP-UHFFFAOYSA-N 0 1 266.348 3.577 20 0 CHADMN CO[C@@H](CSCc1[nH]ncc1C)C1CCCCC1 ZINC000902424586 1130010078 /nfs/dbraw/zinc/01/00/78/1130010078.db2.gz VYJRXQJHORRAIC-AWEZNQCLSA-N 0 1 268.426 3.547 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000902452278 1130012847 /nfs/dbraw/zinc/01/28/47/1130012847.db2.gz ZECLVOJRLHZAKC-MMQHEFTJSA-N 0 1 291.391 3.636 20 0 CHADMN CC(C)(C)C[C@@H](NCc1csc(N)n1)c1ccccc1 ZINC000902487025 1130016187 /nfs/dbraw/zinc/01/61/87/1130016187.db2.gz ASYVBHMMIPFGKP-CQSZACIVSA-N 0 1 289.448 3.992 20 0 CHADMN CCCC[N@@H+](Cc1ccnc2c(C(=O)[O-])cccc12)C1CC1 ZINC000902511839 1130017889 /nfs/dbraw/zinc/01/78/89/1130017889.db2.gz CSLXAEQUBBGBFL-UHFFFAOYSA-N 0 1 298.386 3.698 20 0 CHADMN C[C@H]1CC[C@H](C)N1CC(=O)OCc1ccc(C(F)F)cc1 ZINC000785741241 1130052673 /nfs/dbraw/zinc/05/26/73/1130052673.db2.gz KTFGGXRHHZFPQK-RYUDHWBXSA-N 0 1 297.345 3.540 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@@H]1c1ccccc1Cl)C(=O)[O-] ZINC000902524454 1130019684 /nfs/dbraw/zinc/01/96/84/1130019684.db2.gz QYYQTXCWDIRKGB-CQSZACIVSA-N 0 1 295.810 3.978 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000902520824 1130019850 /nfs/dbraw/zinc/01/98/50/1130019850.db2.gz KJKMZYOWHHQHBK-GFCCVEGCSA-N 0 1 297.826 3.704 20 0 CHADMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902528153 1130020198 /nfs/dbraw/zinc/02/01/98/1130020198.db2.gz MWGGUIQRPKKKIK-OCCSQVGLSA-N 0 1 298.386 3.696 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1c(C)cccc1F ZINC000772452703 1130021527 /nfs/dbraw/zinc/02/15/27/1130021527.db2.gz KVGJPLZNISOXQM-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCCC23CCCCC3)cs1 ZINC000902543152 1130022145 /nfs/dbraw/zinc/02/21/45/1130022145.db2.gz MHGSOURDUYQTOJ-UHFFFAOYSA-N 0 1 279.405 3.745 20 0 CHADMN CNc1ccc(C)cc1C[NH2+]Cc1ccc([O-])c(Cl)c1 ZINC000902640872 1130033229 /nfs/dbraw/zinc/03/32/29/1130033229.db2.gz OIXMLFJEYKQLPO-UHFFFAOYSA-N 0 1 290.794 3.686 20 0 CHADMN COc1ccc(C(C)C)cc1-c1cc2[nH]cnc2cn1 ZINC001239658038 1130036531 /nfs/dbraw/zinc/03/65/31/1130036531.db2.gz IJCRKYSZBIEFLD-UHFFFAOYSA-N 0 1 267.332 3.757 20 0 CHADMN CN1Cc2ccccc2[C@@H](NCc2cc(Cl)cs2)C1 ZINC000785503742 1130036706 /nfs/dbraw/zinc/03/67/06/1130036706.db2.gz PJNYJMWYMWERLP-HNNXBMFYSA-N 0 1 292.835 3.678 20 0 CHADMN COC(=O)c1ccc([C@@H](C)N[C@H](C)c2ccccn2)c(C)c1 ZINC000902721020 1130043315 /nfs/dbraw/zinc/04/33/15/1130043315.db2.gz SFGLYZOCDGHSFY-ZIAGYGMSSA-N 0 1 298.386 3.588 20 0 CHADMN CN1CCc2c(F)cc(-c3ccc(F)cc3F)cc2C1 ZINC001239680004 1130050712 /nfs/dbraw/zinc/05/07/12/1130050712.db2.gz IZOXRAVLIDICKD-UHFFFAOYSA-N 0 1 277.289 3.759 20 0 CHADMN CCC(CC)[C@@H](N[C@@H](C)c1cn(C)nn1)c1cccs1 ZINC000902779392 1130055188 /nfs/dbraw/zinc/05/51/88/1130055188.db2.gz WKMHQCSCFVBOES-XHDPSFHLSA-N 0 1 292.452 3.705 20 0 CHADMN Cc1ccccc1[C@@H](N[C@@H](C)c1cn(C)nn1)C(C)(C)C ZINC000902836196 1130067754 /nfs/dbraw/zinc/06/77/54/1130067754.db2.gz VDVISVXLXPSOMP-XJKSGUPXSA-N 0 1 286.423 3.562 20 0 CHADMN CC(C)(C)c1nnc(CNC2C[C@@H]3CCC[C@H]3C2)s1 ZINC000902878588 1130078243 /nfs/dbraw/zinc/07/82/43/1130078243.db2.gz HAAULUFTCBDGHB-QWRGUYRKSA-N 0 1 279.453 3.504 20 0 CHADMN CCOC(=O)c1cc2[nH]c(-c3ccc(F)cc3C)ccc-2n1 ZINC001239739629 1130082144 /nfs/dbraw/zinc/08/21/44/1130082144.db2.gz YPBYCRDYXKPRSK-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN COc1cccc(-c2ccc(CN(C)C)c(F)c2)c1F ZINC001239752352 1130091402 /nfs/dbraw/zinc/09/14/02/1130091402.db2.gz WWAAQSSMKPGGHR-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN CC(C)CCC[C@H](C)n1c2ccccc2nc1CN ZINC001170057773 1130094491 /nfs/dbraw/zinc/09/44/91/1130094491.db2.gz MZCXTDHKGNZVCH-ZDUSSCGKSA-N 0 1 259.397 3.882 20 0 CHADMN CCOCc1ccc(CN[C@@H](c2ccccn2)C2CC2)cc1 ZINC000903066928 1130107811 /nfs/dbraw/zinc/10/78/11/1130107811.db2.gz OJCNJHIUTFDCRE-LJQANCHMSA-N 0 1 296.414 3.859 20 0 CHADMN CC(C)N(C(=O)c1ccc(CN2CCCCC2)o1)C(C)C ZINC000903141314 1130118820 /nfs/dbraw/zinc/11/88/20/1130118820.db2.gz MVZDVYYHEZPZLD-UHFFFAOYSA-N 0 1 292.423 3.525 20 0 CHADMN COc1cccc(-c2ccc3nc[nH]c3c2C)c1OC ZINC001239815614 1130121345 /nfs/dbraw/zinc/12/13/45/1130121345.db2.gz RNTUIPWQUWYTLT-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN Fc1ccc([C@H](NC[C@@]23C[C@@H]2CCCC3)c2ncc[nH]2)cc1 ZINC000903162351 1130122198 /nfs/dbraw/zinc/12/21/98/1130122198.db2.gz DFBMLMIPDFFHKU-QILLFSRXSA-N 0 1 299.393 3.808 20 0 CHADMN CC[C@@H](NCc1cc(N(C)C)ccn1)c1ccccc1F ZINC000903198389 1130128179 /nfs/dbraw/zinc/12/81/79/1130128179.db2.gz KKEFQQCFSGSWSZ-QGZVFWFLSA-N 0 1 287.382 3.528 20 0 CHADMN CC[C@H](NCc1cc(N(C)C)ccn1)c1ccccc1F ZINC000903198388 1130128274 /nfs/dbraw/zinc/12/82/74/1130128274.db2.gz KKEFQQCFSGSWSZ-KRWDZBQOSA-N 0 1 287.382 3.528 20 0 CHADMN Cc1ccc([C@H](NCc2cc(N(C)C)ccn2)C2CCC2)o1 ZINC000903199504 1130128513 /nfs/dbraw/zinc/12/85/13/1130128513.db2.gz ZSFDLOXYERGOQU-GOSISDBHSA-N 0 1 299.418 3.680 20 0 CHADMN C[C@@H](NCc1cc(N(C)C)ccn1)c1ccccc1Cl ZINC000903202913 1130129474 /nfs/dbraw/zinc/12/94/74/1130129474.db2.gz LSLWFOZYMUJQTQ-GFCCVEGCSA-N 0 1 289.810 3.652 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccc(F)cn2)cc1C ZINC000903233204 1130133329 /nfs/dbraw/zinc/13/33/29/1130133329.db2.gz DBVHMQAXUZLXBZ-CHWSQXEVSA-N 0 1 288.366 3.950 20 0 CHADMN Cc1nc([C@@H](C)N[C@H]2CCOC23CCCCC3)cs1 ZINC000903267472 1130141021 /nfs/dbraw/zinc/14/10/21/1130141021.db2.gz DESMJTOTHSJQOB-RISCZKNCSA-N 0 1 280.437 3.594 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2OC[C@H]1F)C1CCSCC1 ZINC000903273156 1130142393 /nfs/dbraw/zinc/14/23/93/1130142393.db2.gz UGLREPOKKAQEPQ-SGIREYDYSA-N 0 1 295.423 3.580 20 0 CHADMN Cc1cc(F)ccc1CN(C)Cc1ccc(F)nc1C ZINC000787291169 1130142866 /nfs/dbraw/zinc/14/28/66/1130142866.db2.gz SOZDMAZPHOQEFB-UHFFFAOYSA-N 0 1 276.330 3.609 20 0 CHADMN CC[C@@H]1Cc2ccccc2CN1Cc1ccc(F)nc1C ZINC000787275698 1130144733 /nfs/dbraw/zinc/14/47/33/1130144733.db2.gz QWMDCPJCZXVSMP-QGZVFWFLSA-N 0 1 284.378 3.866 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2C[C@H](c3ccc(F)cc3F)C2)no1 ZINC000903298653 1130149210 /nfs/dbraw/zinc/14/92/10/1130149210.db2.gz XBZUITCCJQIWSG-GVXVVHGQSA-N 0 1 292.329 3.858 20 0 CHADMN C[C@H](N[C@H]1CCCc2c(O)cccc21)c1cncs1 ZINC000903312115 1130151609 /nfs/dbraw/zinc/15/16/09/1130151609.db2.gz SKFXPDMJDVDCOV-GWCFXTLKSA-N 0 1 274.389 3.577 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncs1)c1cc(F)cc(F)c1 ZINC000903312145 1130151816 /nfs/dbraw/zinc/15/18/16/1130151816.db2.gz SWSQNXMKXXGQKA-BDAKNGLRSA-N 0 1 268.332 3.833 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2ccc(O)cc21)c1cncs1 ZINC000903312531 1130151899 /nfs/dbraw/zinc/15/18/99/1130151899.db2.gz WMNWKUDNRIBNAW-QMTHXVAHSA-N 0 1 274.389 3.577 20 0 CHADMN Cc1cccnc1[C@H](N[C@H](C)c1cnn(C)c1)C(C)(C)C ZINC000903327917 1130155840 /nfs/dbraw/zinc/15/58/40/1130155840.db2.gz BHXASYGSMRTMIU-CJNGLKHVSA-N 0 1 286.423 3.562 20 0 CHADMN COCc1cccc(-c2cc3[nH]cnc3cc2C)c1 ZINC001239936006 1130158329 /nfs/dbraw/zinc/15/83/29/1130158329.db2.gz ZSNQYGRLLQCUCF-UHFFFAOYSA-N 0 1 252.317 3.685 20 0 CHADMN Cc1nc(C)c(CN[C@H]2CCc3ccc(Cl)nc32)s1 ZINC000787753325 1130160495 /nfs/dbraw/zinc/16/04/95/1130160495.db2.gz GBEAMNXFZDNJOY-NSHDSACASA-N 0 1 293.823 3.585 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3ccc(Cl)nc32)s1 ZINC000787760475 1130160643 /nfs/dbraw/zinc/16/06/43/1130160643.db2.gz QGUFOBBIYMYZFV-LBPRGKRZSA-N 0 1 278.808 3.882 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@H](c1ccccn1)C1CC1)CCC2 ZINC000903338736 1130161833 /nfs/dbraw/zinc/16/18/33/1130161833.db2.gz IXWLSEZUKDMQDL-CVEARBPZSA-N 0 1 299.443 3.965 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@@H](c2ccccn2)C2CC2)cn1 ZINC000903340713 1130162513 /nfs/dbraw/zinc/16/25/13/1130162513.db2.gz SLHUYZXEZCIHNN-SUMWQHHRSA-N 0 1 284.407 3.661 20 0 CHADMN Cc1nn(C)c(Cl)c1CN(C)CC1CCCCCC1 ZINC000788005231 1130168454 /nfs/dbraw/zinc/16/84/54/1130168454.db2.gz CIOVLWMZTCVBFO-UHFFFAOYSA-N 0 1 283.847 3.784 20 0 CHADMN CCOCc1noc2c1CN([C@@H](C)CCCC(C)C)CC2 ZINC001170082217 1130175300 /nfs/dbraw/zinc/17/53/00/1130175300.db2.gz KFVJAGYTJZJEQX-AWEZNQCLSA-N 0 1 294.439 3.784 20 0 CHADMN C[C@H](N[C@H](c1ccncc1)C1CC1)c1cccnc1Cl ZINC000903428358 1130175781 /nfs/dbraw/zinc/17/57/81/1130175781.db2.gz NTVOTHAUSWCZKW-NHYWBVRUSA-N 0 1 287.794 3.932 20 0 CHADMN Clc1ccc2c(n1)[C@H](N[C@@H](c1ccncc1)C1CC1)CC2 ZINC000903427779 1130176114 /nfs/dbraw/zinc/17/61/14/1130176114.db2.gz KAUZPAODQJJGMH-GDBMZVCRSA-N 0 1 299.805 3.858 20 0 CHADMN CC(C)CCC[C@@H](C)N1CCN(C)c2ncccc2C1 ZINC001170082711 1130177115 /nfs/dbraw/zinc/17/71/15/1130177115.db2.gz MTFFKOWJCVWMKI-OAHLLOKOSA-N 0 1 275.440 3.548 20 0 CHADMN Cl/C=C\CN[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000903445805 1130178004 /nfs/dbraw/zinc/17/80/04/1130178004.db2.gz WAKQQSKCMGBWKP-ANOSYLROSA-N 0 1 287.794 3.592 20 0 CHADMN CC(C)Oc1cccc(-c2cccn3cncc23)c1 ZINC001239970659 1130178920 /nfs/dbraw/zinc/17/89/20/1130178920.db2.gz OCBFWWNHSAJTRB-UHFFFAOYSA-N 0 1 252.317 3.789 20 0 CHADMN Cc1cc(C)c([C@@H](C)[N@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)c(C)c1 ZINC000903630976 1130184312 /nfs/dbraw/zinc/18/43/12/1130184312.db2.gz IGPRHBAXZBZBBB-BZUAXINKSA-N 0 1 289.419 3.715 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCCC2(CCCC2)CC1 ZINC000903602020 1130184660 /nfs/dbraw/zinc/18/46/60/1130184660.db2.gz LWELCTHRBBOZKM-UONOGXRCSA-N 0 1 267.413 3.532 20 0 CHADMN C/C(=C\C[N@H+]1CC[C@@H](c2ccc(C)cc2)C1(C)C)C(=O)[O-] ZINC000903611980 1130185104 /nfs/dbraw/zinc/18/51/04/1130185104.db2.gz PVVNDRPZUBXEMM-IDJPSDCMSA-N 0 1 287.403 3.594 20 0 CHADMN COc1cc(F)ccc1-c1ccc2nc(C)[nH]c2c1 ZINC001239996242 1130185463 /nfs/dbraw/zinc/18/54/63/1130185463.db2.gz HIVJUVPWNSQCCZ-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN COc1cc(F)ccc1-c1cccc(CN(C)C)c1F ZINC001240000089 1130187123 /nfs/dbraw/zinc/18/71/23/1130187123.db2.gz HLFDTRLPSDXQJL-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN CN(Cc1cnc(Cl)cn1)Cc1cccc2ccccc21 ZINC000788479498 1130189282 /nfs/dbraw/zinc/18/92/82/1130189282.db2.gz UROZNCGNKYYXBH-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN CCC1(CC)CCC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC000903706981 1130191409 /nfs/dbraw/zinc/19/14/09/1130191409.db2.gz PKNIFZLULPFUDD-UHFFFAOYSA-N 0 1 267.413 3.534 20 0 CHADMN CCCSC[C@H](C)N[C@H]1COc2cc(F)cc(F)c21 ZINC001462084668 1130191452 /nfs/dbraw/zinc/19/14/52/1130191452.db2.gz GYBGZLDQKHBGOG-CABZTGNLSA-N 0 1 287.375 3.520 20 0 CHADMN Cc1cccc(F)c1CNCc1cc2ccccc2[nH]1 ZINC000788522839 1130193162 /nfs/dbraw/zinc/19/31/62/1130193162.db2.gz YVHMMAXNTMEXEU-UHFFFAOYSA-N 0 1 268.335 3.905 20 0 CHADMN COc1ccc(-c2ccc3nc[nH]c3c2C)c(F)c1 ZINC001240021517 1130195982 /nfs/dbraw/zinc/19/59/82/1130195982.db2.gz JRINYDFETZCCER-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN Cc1nc2cccc(-c3ccc(C(=O)NC(C)C)cc3)c2[nH]1 ZINC001240026326 1130197831 /nfs/dbraw/zinc/19/78/31/1130197831.db2.gz MXRDFIBYXKXUNA-UHFFFAOYSA-N 0 1 293.370 3.677 20 0 CHADMN COc1ccc(-c2cc3nc[nH]c3cc2F)c(F)c1 ZINC001240035334 1130201505 /nfs/dbraw/zinc/20/15/05/1130201505.db2.gz PZOHKQJYTPLWNB-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN CCN(CC)C(=O)c1cccc(-c2nccc3[nH]ccc32)c1 ZINC001240048123 1130204539 /nfs/dbraw/zinc/20/45/39/1130204539.db2.gz DMNUCFKJYMCSSD-UHFFFAOYSA-N 0 1 293.370 3.712 20 0 CHADMN O=C([O-])c1cccc2c1C[N@@H+](C[C@H]1CC3CCC1CC3)CC2 ZINC000903901761 1130210410 /nfs/dbraw/zinc/21/04/10/1130210410.db2.gz PBVIDYIOPAXJDJ-ZBCRRDGASA-N 0 1 299.414 3.569 20 0 CHADMN CCC(C)(C)CC[N@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]1C ZINC000903951456 1130211032 /nfs/dbraw/zinc/21/10/32/1130211032.db2.gz KGKDBRSSJPWZKU-REWJHTLYSA-N 0 1 269.429 3.632 20 0 CHADMN CC(C)CNC(=O)c1cccc(-c2ccc3nc[nH]c3c2)c1 ZINC001240091223 1130211850 /nfs/dbraw/zinc/21/18/50/1130211850.db2.gz ZBQRCAXKCIGUAA-UHFFFAOYSA-N 0 1 293.370 3.616 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCCc2ccsc2)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903954732 1130212472 /nfs/dbraw/zinc/21/24/72/1130212472.db2.gz ZKGYENBOTVVNJU-QVHKTLOISA-N 0 1 295.448 3.500 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCC2=CCCCC2)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903953354 1130212672 /nfs/dbraw/zinc/21/26/72/1130212672.db2.gz QXHMWOPMIVBFHP-ORIJERBGSA-N 0 1 279.424 3.697 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCC2=CCCCC2)[C@H](C)[C@H]1C(=O)[O-] ZINC000903953351 1130213129 /nfs/dbraw/zinc/21/31/29/1130213129.db2.gz QXHMWOPMIVBFHP-CTASWTNQSA-N 0 1 279.424 3.697 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@@H+]1CC=C(c2cccc(C)c2C)CC1 ZINC000903963370 1130213310 /nfs/dbraw/zinc/21/33/10/1130213310.db2.gz YCXLUQFBIVCCND-KRWDZBQOSA-N 0 1 287.403 3.646 20 0 CHADMN COc1ccc(F)c(-c2cc3nc[nH]c3c(C)c2)c1 ZINC001240117732 1130215566 /nfs/dbraw/zinc/21/55/66/1130215566.db2.gz ITAGQMFGONVBSM-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CCc1nn(C)c(Cl)c1CN1C[C@H](C)CC(C)(C)C1 ZINC000753574317 1130219040 /nfs/dbraw/zinc/21/90/40/1130219040.db2.gz FHGBPIZXTXPMNG-LLVKDONJSA-N 0 1 283.847 3.504 20 0 CHADMN CC[C@H]1CN(Cc2ccc3c(c2)CCCC3)[C@@H](CC)CO1 ZINC001206569599 1130219613 /nfs/dbraw/zinc/21/96/13/1130219613.db2.gz XCIRFAAZBZSPHN-OALUTQOASA-N 0 1 287.447 3.955 20 0 CHADMN CC[C@H](C)CN(CC)CN1C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000748264033 1130225981 /nfs/dbraw/zinc/22/59/81/1130225981.db2.gz ZNNSTJIZSUWFNA-ZMSDIMECSA-N 0 1 288.435 3.532 20 0 CHADMN C[C@@H]1CC[C@H](n2c3cc(Cl)ccc3nc2CN)C1 ZINC001170098261 1130232764 /nfs/dbraw/zinc/23/27/64/1130232764.db2.gz PWPXWTIPVVUYRF-KOLCDFICSA-N 0 1 263.772 3.510 20 0 CHADMN C[C@H]1CC[C@@H](NC2(c3ccccc3C(F)(F)F)COC2)C1 ZINC001170104941 1130246792 /nfs/dbraw/zinc/24/67/92/1130246792.db2.gz ORAOBZGIHZWMNK-NWDGAFQWSA-N 0 1 299.336 3.709 20 0 CHADMN CC(C)C[C@@H](C)N(C)Cc1ccn(-c2ccccc2)n1 ZINC000748806987 1130247990 /nfs/dbraw/zinc/24/79/90/1130247990.db2.gz YQLPZLIBVPLKPH-OAHLLOKOSA-N 0 1 271.408 3.739 20 0 CHADMN FC(F)(F)c1ccc(-c2ccc3nc[nH]c3c2)cn1 ZINC001240267739 1130252243 /nfs/dbraw/zinc/25/22/43/1130252243.db2.gz KQFNRLPBLJAANR-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN CC(C)c1cnc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)o1 ZINC000789452078 1130253288 /nfs/dbraw/zinc/25/32/88/1130253288.db2.gz PRBUHHSODYGQHR-JHJVBQTASA-N 0 1 250.386 3.664 20 0 CHADMN CCN(C)C(=O)c1ccc(-c2ccc3nc(C)[nH]c3c2)cc1 ZINC001240282404 1130254798 /nfs/dbraw/zinc/25/47/98/1130254798.db2.gz ITHCKCNPVDUIPT-UHFFFAOYSA-N 0 1 293.370 3.630 20 0 CHADMN CCN(C)C(=O)c1ccc(-c2cc3[nH]cnc3cc2C)cc1 ZINC001240282351 1130254833 /nfs/dbraw/zinc/25/48/33/1130254833.db2.gz FYUPYMQAKIEMCR-UHFFFAOYSA-N 0 1 293.370 3.630 20 0 CHADMN CCCC[C@](CC)(N[C@@H]1CC[C@H](C)C1)C(=O)OCC ZINC001170109333 1130255052 /nfs/dbraw/zinc/25/50/52/1130255052.db2.gz NWFFOAGMYMROPZ-LZWOXQAQSA-N 0 1 269.429 3.667 20 0 CHADMN Cc1nc([C@@H](C)NCCOc2cccc(F)c2)c(C)s1 ZINC000676840247 1130273406 /nfs/dbraw/zinc/27/34/06/1130273406.db2.gz XLFNAERSIRUQJJ-SNVBAGLBSA-N 0 1 294.395 3.629 20 0 CHADMN Cn1cc(-c2ccc(-c3cc4[nH]ccc4cn3)cc2)cn1 ZINC001240359811 1130276931 /nfs/dbraw/zinc/27/69/31/1130276931.db2.gz RUHWAYQQYLTMAJ-UHFFFAOYSA-N 0 1 274.327 3.630 20 0 CHADMN Cc1c(CN2CCC[C@H]2c2ccccc2)nc2ccccn12 ZINC001137272052 1130277237 /nfs/dbraw/zinc/27/72/37/1130277237.db2.gz GBFSXDGGLSLUHM-SFHVURJKSA-N 0 1 291.398 3.980 20 0 CHADMN Cn1cc(-c2ccc(-c3nccc4c3ccn4C)cc2)cn1 ZINC001240362948 1130278229 /nfs/dbraw/zinc/27/82/29/1130278229.db2.gz LVKCDZMKPXIKDP-UHFFFAOYSA-N 0 1 288.354 3.641 20 0 CHADMN F[C@@H]1CCN(Cc2cnc3ccccc3c2)CCC1(F)F ZINC001137277107 1130280502 /nfs/dbraw/zinc/28/05/02/1130280502.db2.gz PLBBNROGZLUYTD-OAHLLOKOSA-N 0 1 294.320 3.804 20 0 CHADMN Cc1ccccc1-c1noc(CN2CCC[C@H](C3CC3)C2)n1 ZINC000677031077 1130283236 /nfs/dbraw/zinc/28/32/36/1130283236.db2.gz XMKPVOYIGGYRJH-HNNXBMFYSA-N 0 1 297.402 3.667 20 0 CHADMN CCCCc1noc([C@H](C)N2CCC[C@@H](C3CC3)C2)n1 ZINC000677047237 1130284185 /nfs/dbraw/zinc/28/41/85/1130284185.db2.gz SJYMCWBHUZEWLN-GXTWGEPZSA-N 0 1 277.412 3.595 20 0 CHADMN COc1ccnc(C2=CCCN(Cc3ccccc3)C2)c1F ZINC001240386150 1130285437 /nfs/dbraw/zinc/28/54/37/1130285437.db2.gz CLGOAWUOLBOCKH-UHFFFAOYSA-N 0 1 298.361 3.519 20 0 CHADMN Cc1ccc(F)c(C2=CCCN(Cc3ccccc3)C2)n1 ZINC001240385191 1130285500 /nfs/dbraw/zinc/28/55/00/1130285500.db2.gz ZNIUFPGQCXGOAV-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN CC(C)CCn1cc(-c2ccc(CN(C)C)c(F)c2)cn1 ZINC001240421000 1130302337 /nfs/dbraw/zinc/30/23/37/1130302337.db2.gz MKKZPUKIHOQGOS-UHFFFAOYSA-N 0 1 289.398 3.797 20 0 CHADMN CCc1ccc(C)nc1NCc1ccnc(Cl)c1F ZINC000826910596 1130310188 /nfs/dbraw/zinc/31/01/88/1130310188.db2.gz KGNZMIKQLYEYDH-UHFFFAOYSA-N 0 1 279.746 3.752 20 0 CHADMN C[C@H](NC(=O)c1c(O)cc(Cl)cc1Cl)C1CCC1 ZINC000677413125 1130310662 /nfs/dbraw/zinc/31/06/62/1130310662.db2.gz XSKGERGVTDLZEL-ZETCQYMHSA-N 0 1 288.174 3.617 20 0 CHADMN CN1Cc2ccccc2[C@@H](Nc2nccc3sccc32)C1 ZINC000677420554 1130311026 /nfs/dbraw/zinc/31/10/26/1130311026.db2.gz KYRHXOMDRMWVSY-HNNXBMFYSA-N 0 1 295.411 3.895 20 0 CHADMN COc1ccc(F)c(F)c1-c1cc2nc[nH]c2c(C)c1 ZINC001240433181 1130311152 /nfs/dbraw/zinc/31/11/52/1130311152.db2.gz BHHKTJPVIVSSJJ-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN CN1Cc2ccccc2[C@H](NCc2coc3ccccc23)C1 ZINC000677426257 1130311939 /nfs/dbraw/zinc/31/19/39/1130311939.db2.gz JBWUNWMVYJNQDK-GOSISDBHSA-N 0 1 292.382 3.709 20 0 CHADMN C[C@@H](Cc1ccco1)NCc1ncc(C(C)(C)C)s1 ZINC000790464833 1130317051 /nfs/dbraw/zinc/31/70/51/1130317051.db2.gz ZCDRFLNULPVAQK-NSHDSACASA-N 0 1 278.421 3.754 20 0 CHADMN CCSc1ccccc1OC(=O)c1ccc2cncn2c1 ZINC000790529286 1130319264 /nfs/dbraw/zinc/31/92/64/1130319264.db2.gz KNLFSWQFZICKKV-UHFFFAOYSA-N 0 1 298.367 3.666 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N2CCC3(CC3)CC2)cc1C ZINC000677716588 1130322826 /nfs/dbraw/zinc/32/28/26/1130322826.db2.gz KZFWGVHSSCQCQR-OAHLLOKOSA-N 0 1 286.419 3.506 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2cnn(C(C)C)c2)s1 ZINC000677756340 1130329467 /nfs/dbraw/zinc/32/94/67/1130329467.db2.gz UOXDZYKCHPLEDJ-MNOVXSKESA-N 0 1 278.425 3.641 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](Cc2cccnc2)Cc2ccccn2)C1 ZINC001170144825 1130329362 /nfs/dbraw/zinc/32/93/62/1130329362.db2.gz OZPICFMRISAONY-YJBOKZPZSA-N 0 1 281.403 3.667 20 0 CHADMN C[C@H]1CC[C@H](N(Cc2cccnc2)Cc2ccccn2)C1 ZINC001170144825 1130329367 /nfs/dbraw/zinc/32/93/67/1130329367.db2.gz OZPICFMRISAONY-YJBOKZPZSA-N 0 1 281.403 3.667 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccc3ccccc3n2)s1 ZINC000677754645 1130329648 /nfs/dbraw/zinc/32/96/48/1130329648.db2.gz IQLGJYXTXXMLAQ-NSHDSACASA-N 0 1 283.400 3.851 20 0 CHADMN CC(C)c1nc([C@H](C)NC(=O)C[C@H](C)CC(C)(C)C)n[nH]1 ZINC000677841498 1130333650 /nfs/dbraw/zinc/33/36/50/1130333650.db2.gz BVCQOTVIWSQZJM-RYUDHWBXSA-N 0 1 294.443 3.568 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC(C)(C)c2ccccc21 ZINC000677911601 1130339318 /nfs/dbraw/zinc/33/93/18/1130339318.db2.gz ZDSYWWOJXSCSQP-UHFFFAOYSA-N 0 1 297.402 3.780 20 0 CHADMN Cc1ccc(F)c([C@@H](C)OC(=O)c2ccc3cncn3c2)c1 ZINC000790907835 1130339713 /nfs/dbraw/zinc/33/97/13/1130339713.db2.gz VKQJPYACWIVEPZ-GFCCVEGCSA-N 0 1 298.317 3.700 20 0 CHADMN Cc1cccc2nc(CNc3ccnc(C(C)(C)C)n3)[nH]c21 ZINC000677955311 1130340265 /nfs/dbraw/zinc/34/02/65/1130340265.db2.gz RVJNTAPQPYQSAU-UHFFFAOYSA-N 0 1 295.390 3.571 20 0 CHADMN Cc1cc(-c2cc(Cl)c(O)cc2F)cc(C)n1 ZINC000383087161 1130341123 /nfs/dbraw/zinc/34/11/23/1130341123.db2.gz VXPWLTPSSYTJLL-UHFFFAOYSA-N 0 1 251.688 3.864 20 0 CHADMN C[C@H]1CC[C@H](N2CCc3c4ccccc4oc3C2)C1 ZINC001170147240 1130344112 /nfs/dbraw/zinc/34/41/12/1130344112.db2.gz BAEHVFUAZMXXTB-STQMWFEESA-N 0 1 255.361 3.980 20 0 CHADMN CC(=CC(=O)Nc1cc2cn[nH]c2cc1C)c1ccccc1 ZINC000791051505 1130348218 /nfs/dbraw/zinc/34/82/18/1130348218.db2.gz JILPTNMXXAWFCE-XFXZXTDPSA-N 0 1 291.354 3.913 20 0 CHADMN C[C@@H](NCCSc1ccccc1F)c1cscn1 ZINC000678114298 1130350109 /nfs/dbraw/zinc/35/01/09/1130350109.db2.gz ADBCPYSUZAPLFE-SNVBAGLBSA-N 0 1 282.409 3.725 20 0 CHADMN C[N@H+](Cc1[nH]nc2ccccc21)Cc1cccc(Cl)c1 ZINC000678123301 1130352312 /nfs/dbraw/zinc/35/23/12/1130352312.db2.gz SIVVQEYKMHBRMB-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN FC1(F)Oc2ccc(-c3cc4[nH]ccc4cn3)cc2O1 ZINC001240553847 1130354103 /nfs/dbraw/zinc/35/41/03/1130354103.db2.gz GOMJFJFPIRXZMV-UHFFFAOYSA-N 0 1 274.226 3.551 20 0 CHADMN Clc1ccc2c(n1)[C@H](NCc1cccs1)CC2 ZINC000791139458 1130354706 /nfs/dbraw/zinc/35/47/06/1130354706.db2.gz ZPBNGGRUSZFLNR-LLVKDONJSA-N 0 1 264.781 3.574 20 0 CHADMN C[C@H](c1ccccc1F)N(C)Cc1[nH]nc2ccccc21 ZINC000678135111 1130355621 /nfs/dbraw/zinc/35/56/21/1130355621.db2.gz HAGJRAFZSOFISU-GFCCVEGCSA-N 0 1 283.350 3.895 20 0 CHADMN C[C@H](OC(=O)c1c(F)cc(O)cc1F)c1ccccc1F ZINC000746986776 1130356650 /nfs/dbraw/zinc/35/66/50/1130356650.db2.gz MZKJBSGCSPMIPU-QMMMGPOBSA-N 0 1 296.244 3.728 20 0 CHADMN C[C@H]1CC[C@H]([N@H+]2Cc3cnc(-c4ccccc4)nc3C2)C1 ZINC001170150688 1130358528 /nfs/dbraw/zinc/35/85/28/1130358528.db2.gz OLOKVZNYROEZOG-BBRMVZONSA-N 0 1 279.387 3.648 20 0 CHADMN CCC[C@H](N[C@@H](C)c1ccncc1)c1ccccn1 ZINC000678143556 1130358922 /nfs/dbraw/zinc/35/89/22/1130358922.db2.gz MXGRRYGSCMANSG-BBRMVZONSA-N 0 1 255.365 3.669 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1cccc(-c2cc[nH]n2)c1 ZINC001240563260 1130360817 /nfs/dbraw/zinc/36/08/17/1130360817.db2.gz HFKXRVKCILITQG-UHFFFAOYSA-N 0 1 278.290 3.759 20 0 CHADMN C[C@H]1CCC[C@H](CNc2cnn(-c3ccncc3)c2)C1 ZINC000678156040 1130363064 /nfs/dbraw/zinc/36/30/64/1130363064.db2.gz NULAHUPQIIRUEG-KBPBESRZSA-N 0 1 270.380 3.506 20 0 CHADMN c1c[nH]c([C@H]2CCCCN2C[C@@H]2CCOc3ccccc32)n1 ZINC000678225147 1130374513 /nfs/dbraw/zinc/37/45/13/1130374513.db2.gz YZRCCUNESOQELE-GOEBONIOSA-N 0 1 297.402 3.503 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)C[C@@H](O)c1ccccc1 ZINC000791447879 1130375529 /nfs/dbraw/zinc/37/55/29/1130375529.db2.gz IZVARILKWHHJAU-YVEFUNNKSA-N 0 1 291.341 3.691 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc(N2CCCC2)cc1 ZINC001240592214 1130376357 /nfs/dbraw/zinc/37/63/57/1130376357.db2.gz UNZUWPWIZYSMQT-UHFFFAOYSA-N 0 1 293.370 3.839 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1n[nH]c2ccccc21 ZINC000678242087 1130378752 /nfs/dbraw/zinc/37/87/52/1130378752.db2.gz WHOHGKGMVMENMQ-CYBMUJFWSA-N 0 1 277.371 3.682 20 0 CHADMN CC(C)C[C@@H]1CCN(Cc2ncccc2C(F)(F)F)C1 ZINC000678261112 1130379989 /nfs/dbraw/zinc/37/99/89/1130379989.db2.gz VHTFZNRFGCRZAR-LBPRGKRZSA-N 0 1 286.341 3.968 20 0 CHADMN CCc1ncc(CN2CCCc3sccc3C2)s1 ZINC000678259239 1130381051 /nfs/dbraw/zinc/38/10/51/1130381051.db2.gz HCTGISGNEWKQTO-UHFFFAOYSA-N 0 1 278.446 3.715 20 0 CHADMN Fc1cccc(F)c1CN1CC[C@@H](c2ccco2)C1 ZINC000678262288 1130381629 /nfs/dbraw/zinc/38/16/29/1130381629.db2.gz LFMJYEYUAOAJRQ-LLVKDONJSA-N 0 1 263.287 3.547 20 0 CHADMN FC(F)(F)c1cccnc1CN1CC[C@H](c2ccco2)C1 ZINC000678262775 1130381973 /nfs/dbraw/zinc/38/19/73/1130381973.db2.gz XKNIHQFZBSXNMF-NSHDSACASA-N 0 1 296.292 3.683 20 0 CHADMN C[C@@H]1C[C@H](C)N1Cc1cc(Cl)nc2ccccc12 ZINC000791567797 1130382143 /nfs/dbraw/zinc/38/21/43/1130382143.db2.gz MCYSNKZJZRUBLP-PHIMTYICSA-N 0 1 260.768 3.871 20 0 CHADMN Fc1cccn2cc(CN3CCC[C@]4(CC=CCC4)C3)nc12 ZINC000678267127 1130384350 /nfs/dbraw/zinc/38/43/50/1130384350.db2.gz NMALQEIYLCZXEA-GOSISDBHSA-N 0 1 299.393 3.796 20 0 CHADMN CCC[C@H]1CN(Cc2ccccc2C2CC2)CCO1 ZINC000678270403 1130385336 /nfs/dbraw/zinc/38/53/36/1130385336.db2.gz ADYRVVVTZNBNBQ-INIZCTEOSA-N 0 1 259.393 3.565 20 0 CHADMN COCc1ccc(CN2CC[C@H]2c2cccc(F)c2)cc1 ZINC000678283514 1130391262 /nfs/dbraw/zinc/39/12/62/1130391262.db2.gz MQBOWVOADGVPKD-SFHVURJKSA-N 0 1 285.362 3.919 20 0 CHADMN C[C@@H]1CC[C@H](n2cncc2CNCc2ccccc2)C1 ZINC001170159049 1130393309 /nfs/dbraw/zinc/39/33/09/1130393309.db2.gz QVMFUMUQDJCZPH-ZBFHGGJFSA-N 0 1 269.392 3.534 20 0 CHADMN Cc1occc1CN[C@@H](C)c1ccccc1N(C)C ZINC000678303990 1130395851 /nfs/dbraw/zinc/39/58/51/1130395851.db2.gz WIOKVNHVWJDEHA-LBPRGKRZSA-N 0 1 258.365 3.505 20 0 CHADMN Fc1ccc2[nH]cc(C[N@H+]3CCCC(F)(F)CC3)c2c1 ZINC001137333722 1130400654 /nfs/dbraw/zinc/40/06/54/1130400654.db2.gz QJWFDPDWTWGTEI-UHFFFAOYSA-N 0 1 282.309 3.928 20 0 CHADMN COc1cc(-c2cccc3nc(C)[nH]c32)cc(F)c1F ZINC001240662344 1130407890 /nfs/dbraw/zinc/40/78/90/1130407890.db2.gz CPEJPKLOXSZIAI-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1cnc(C(C)(C)C)s1 ZINC000678361477 1130408477 /nfs/dbraw/zinc/40/84/77/1130408477.db2.gz DATUCITUDVESLJ-LBPRGKRZSA-N 0 1 289.448 3.995 20 0 CHADMN COc1ccc2oc(CN[C@@H](C)c3cnccc3C)cc2c1 ZINC000678362403 1130409237 /nfs/dbraw/zinc/40/92/37/1130409237.db2.gz WAUBTYKAFSNTDB-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cnccc2C)c(Cl)c1 ZINC000678362847 1130409761 /nfs/dbraw/zinc/40/97/61/1130409761.db2.gz QTTYSPKVUNSRJE-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(OC(C)C)nc2)c(C)n1 ZINC000678414962 1130413354 /nfs/dbraw/zinc/41/33/54/1130413354.db2.gz WZQKVAAFIZCHLS-CQSZACIVSA-N 0 1 299.418 3.731 20 0 CHADMN CCCOc1ccc(CN[C@@H](C)c2ccc(C)nc2C)cn1 ZINC000678422302 1130414472 /nfs/dbraw/zinc/41/44/72/1130414472.db2.gz MJWJAMFEJLZJQS-AWEZNQCLSA-N 0 1 299.418 3.733 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2cnn(C(C)C)c2)c(C)n1 ZINC000678425832 1130415586 /nfs/dbraw/zinc/41/55/86/1130415586.db2.gz BYHQAWCYEWLMKH-UKRRQHHQSA-N 0 1 286.423 3.888 20 0 CHADMN CSc1cc(CNCc2nccc3ccccc32)ccn1 ZINC000678497401 1130423846 /nfs/dbraw/zinc/42/38/46/1130423846.db2.gz DKTGDMXMZNPZSS-UHFFFAOYSA-N 0 1 295.411 3.642 20 0 CHADMN FC(F)(F)c1ccc2nc(SCn3cccn3)[nH]c2c1 ZINC000218280568 1130434171 /nfs/dbraw/zinc/43/41/71/1130434171.db2.gz SPNMFBLBADRLFL-UHFFFAOYSA-N 0 1 298.293 3.528 20 0 CHADMN Cc1ccnc(CN2Cc3ccccc3[C@@H](C)C2)c1 ZINC000792205655 1130439405 /nfs/dbraw/zinc/43/94/05/1130439405.db2.gz XZIBMXLRIZPQLV-AWEZNQCLSA-N 0 1 252.361 3.509 20 0 CHADMN Cc1ncccc1-c1cccc2nc(C(F)(F)F)[nH]c21 ZINC001240729572 1130443305 /nfs/dbraw/zinc/44/33/05/1130443305.db2.gz YTPYPYCCGMSLMX-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@H](C)c1cnc(C)s1 ZINC000678698309 1130446637 /nfs/dbraw/zinc/44/66/37/1130446637.db2.gz OSZRNFJMOKDOMK-WDEREUQCSA-N 0 1 275.421 3.821 20 0 CHADMN c1ccc2c(CN3CCC[C@@H]4CCCC[C@@H]43)n[nH]c2c1 ZINC001137349953 1130454184 /nfs/dbraw/zinc/45/41/84/1130454184.db2.gz WUYIYEJDZDCYBC-GUYCJALGSA-N 0 1 269.392 3.718 20 0 CHADMN Clc1cccc2c1CN(Cc1[nH]nc3ccccc31)CC2 ZINC001137351089 1130456514 /nfs/dbraw/zinc/45/65/14/1130456514.db2.gz OYGUSEQNXVMEBC-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN CN(C)Cc1cc(-c2ccc3c(c2)CCCO3)ccc1F ZINC001240775772 1130467507 /nfs/dbraw/zinc/46/75/07/1130467507.db2.gz DOFQYOJEPOZOLU-UHFFFAOYSA-N 0 1 285.362 3.879 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)N1CC[C@@H](C)[C@H](F)C1 ZINC001170265221 1130470217 /nfs/dbraw/zinc/47/02/17/1130470217.db2.gz GATKYAPLFBVDDI-TYNCELHUSA-N 0 1 269.791 3.951 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)N1C[C@@H](C)C[C@H]1CF ZINC001170265480 1130471353 /nfs/dbraw/zinc/47/13/53/1130471353.db2.gz HAQVWZVIIDLJES-OBJOEFQTSA-N 0 1 269.791 3.951 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)NCc1nccc(Cl)n1 ZINC001170255196 1130474369 /nfs/dbraw/zinc/47/43/69/1130474369.db2.gz BYZUYXGDVVNHMC-JTQLQIEISA-N 0 1 296.201 3.504 20 0 CHADMN CN1CCN(c2ccc(-c3ccc4cc[nH]c4c3)cc2)CC1 ZINC001240799223 1130478520 /nfs/dbraw/zinc/47/85/20/1130478520.db2.gz QUYFJKOPMQDQOQ-UHFFFAOYSA-N 0 1 291.398 3.587 20 0 CHADMN CC(C)CCc1nc(CNC2(CO)CCCCC2)cs1 ZINC000678974110 1130480197 /nfs/dbraw/zinc/48/01/97/1130480197.db2.gz FSMXNQVORXZSOB-UHFFFAOYSA-N 0 1 296.480 3.517 20 0 CHADMN CC[C@@]1(C)CCN(Cc2nc3c(s2)CCCC3)C1 ZINC000678993740 1130480542 /nfs/dbraw/zinc/48/05/42/1130480542.db2.gz WXJHDKMUMLSTKM-HNNXBMFYSA-N 0 1 264.438 3.644 20 0 CHADMN C[C@@H](Nc1ccnc2cc(F)ccc21)[C@@H]1CCCCO1 ZINC000679004038 1130482735 /nfs/dbraw/zinc/48/27/35/1130482735.db2.gz FYISIAMPHKWQBA-BZNIZROVSA-N 0 1 274.339 3.743 20 0 CHADMN Cc1ccc(C)c(NC2CC(C)(C)OC(C)(C)C2)n1 ZINC001170359317 1130484468 /nfs/dbraw/zinc/48/44/68/1130484468.db2.gz JSJARDSDJQPFAZ-UHFFFAOYSA-N 0 1 262.397 3.847 20 0 CHADMN Cc1ncccc1CN[C@@H]1CCCOc2cc(F)ccc21 ZINC000679028104 1130485220 /nfs/dbraw/zinc/48/52/20/1130485220.db2.gz ITYOQQVCKLEWSX-MRXNPFEDSA-N 0 1 286.350 3.533 20 0 CHADMN FC(F)(F)c1ccc(-c2ccc3[nH]nnc3c2)cc1 ZINC001240820537 1130485600 /nfs/dbraw/zinc/48/56/00/1130485600.db2.gz XOFMWNBCJMJGLL-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN FC(F)(F)c1ccc(-c2ccc3nn[nH]c3c2)cc1 ZINC001240820537 1130485604 /nfs/dbraw/zinc/48/56/04/1130485604.db2.gz XOFMWNBCJMJGLL-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN COc1ccccc1C(C)(C)N[C@@H](C)c1cnc(C)nc1C ZINC000679029007 1130486312 /nfs/dbraw/zinc/48/63/12/1130486312.db2.gz FQAPLCVLFMLYJM-ZDUSSCGKSA-N 0 1 299.418 3.688 20 0 CHADMN C[C@@H](N[C@@H](CC1CC1)c1ccccc1)c1cnccn1 ZINC000679046361 1130486444 /nfs/dbraw/zinc/48/64/44/1130486444.db2.gz CSDGXFHFTJDZCR-CJNGLKHVSA-N 0 1 267.376 3.669 20 0 CHADMN C=Cc1cc(F)cc(-c2ccc(N3CCN(C)CC3)cc2)c1 ZINC001240854671 1130493218 /nfs/dbraw/zinc/49/32/18/1130493218.db2.gz NWCZIPTVYIVTIQ-UHFFFAOYSA-N 0 1 296.389 3.888 20 0 CHADMN CSc1ccccc1-c1ccc(N2CCN(C)CC2)cc1 ZINC001240852206 1130493615 /nfs/dbraw/zinc/49/36/15/1130493615.db2.gz NUAKXCWCYRHIFH-UHFFFAOYSA-N 0 1 298.455 3.827 20 0 CHADMN c1ccc2c(c1)n[nH]c2CNc1nnc(C2CCCCC2)o1 ZINC000679120023 1130494344 /nfs/dbraw/zinc/49/43/44/1130494344.db2.gz ZLJUDFODGRRSIL-UHFFFAOYSA-N 0 1 297.362 3.606 20 0 CHADMN CC[C@@H](Cc1ccc2c(c1)OCO2)N[C@@H]1CCCC1(F)F ZINC001170418837 1130494957 /nfs/dbraw/zinc/49/49/57/1130494957.db2.gz BQFGBCUPDDKENP-SWLSCSKDSA-N 0 1 297.345 3.514 20 0 CHADMN C[C@H](Nc1cnn(-c2ccncc2)c1)c1cccs1 ZINC000679126325 1130494999 /nfs/dbraw/zinc/49/49/99/1130494999.db2.gz FLCFEDHBUGVZBB-NSHDSACASA-N 0 1 270.361 3.502 20 0 CHADMN Cc1cc(C(=O)CN(C2CC2)C2CCCCC2)c(C)[nH]1 ZINC000679124716 1130495155 /nfs/dbraw/zinc/49/51/55/1130495155.db2.gz QJNCZRBAZIFPRJ-UHFFFAOYSA-N 0 1 274.408 3.611 20 0 CHADMN CCC[C@H](Nc1cnn(-c2ccncc2)c1)c1ccccn1 ZINC000679127285 1130495709 /nfs/dbraw/zinc/49/57/09/1130495709.db2.gz LCNCMYKLCWZKFH-KRWDZBQOSA-N 0 1 293.374 3.616 20 0 CHADMN CC[C@H]1CO[C@H](C)CN1CCCOc1ccc(Cl)cc1 ZINC000679143542 1130497950 /nfs/dbraw/zinc/49/79/50/1130497950.db2.gz ITWNOJIUXXFJQF-HIFRSBDPSA-N 0 1 297.826 3.608 20 0 CHADMN O=C(CCc1cnc[nH]1)Nc1ccc(-c2ccccc2)cc1 ZINC000792774857 1130498213 /nfs/dbraw/zinc/49/82/13/1130498213.db2.gz FOZPGYUGVWXMDB-UHFFFAOYSA-N 0 1 291.354 3.648 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccc(-c2ccccc2)c(C)c1 ZINC000792836761 1130501617 /nfs/dbraw/zinc/50/16/17/1130501617.db2.gz VKCGJCSRUMJVJL-UHFFFAOYSA-N 0 1 291.354 3.946 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N(C)CCOC(C)(C)C ZINC000679216916 1130503008 /nfs/dbraw/zinc/50/30/08/1130503008.db2.gz FEYVXHXOFTYOOT-GFCCVEGCSA-N 0 1 276.380 3.636 20 0 CHADMN CCc1cccc(F)c1CNCc1ccc(Cl)nc1 ZINC000792919374 1130506749 /nfs/dbraw/zinc/50/67/49/1130506749.db2.gz GRDKQDHXRXHOCM-UHFFFAOYSA-N 0 1 278.758 3.726 20 0 CHADMN Fc1cc(-c2ccncc2)ccc1CN1CC=CCC1 ZINC000679360240 1130521428 /nfs/dbraw/zinc/52/14/28/1130521428.db2.gz UAXQFUGEKXRNAE-UHFFFAOYSA-N 0 1 268.335 3.650 20 0 CHADMN COc1ccc(-c2cc3nc[nH]c3cc2C)c(OC)c1OC ZINC001240931336 1130522072 /nfs/dbraw/zinc/52/20/72/1130522072.db2.gz YIHVEITWNMAASR-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN Cc1c[nH]c2ncc(-c3ccc4nc[nH]c4c3C)cc12 ZINC001240956840 1130535112 /nfs/dbraw/zinc/53/51/12/1130535112.db2.gz FFOMJSAYGPOENE-UHFFFAOYSA-N 0 1 262.316 3.723 20 0 CHADMN Cc1nc(CCN2C[C@H](C(F)(F)F)CC[C@H]2C)cs1 ZINC000679540700 1130536541 /nfs/dbraw/zinc/53/65/41/1130536541.db2.gz ODWYPZQWDUFYHH-MWLCHTKSSA-N 0 1 292.370 3.657 20 0 CHADMN FCC[C@@H]1CCCN(Cc2c(Cl)nc3ccccn32)C1 ZINC000827270803 1130538407 /nfs/dbraw/zinc/53/84/07/1130538407.db2.gz GENLXLWFKUSGJG-LBPRGKRZSA-N 0 1 295.789 3.559 20 0 CHADMN Cc1cc(C)cc(OCCN(Cc2cccnc2)C2CC2)c1 ZINC000679578371 1130542572 /nfs/dbraw/zinc/54/25/72/1130542572.db2.gz ONLFGIJIBRHEJM-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccsc1 ZINC000679583391 1130543223 /nfs/dbraw/zinc/54/32/23/1130543223.db2.gz FPRNKHKMBVLVKM-ONGXEEELSA-N 0 1 263.328 3.911 20 0 CHADMN Cc1ncsc1CN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679584610 1130543998 /nfs/dbraw/zinc/54/39/98/1130543998.db2.gz VMSCOTFCYNNOAF-SCZZXKLOSA-N 0 1 278.343 3.614 20 0 CHADMN Cc1ccoc1CN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679583219 1130544099 /nfs/dbraw/zinc/54/40/99/1130544099.db2.gz CKZHGUXAFJDWCP-GHMZBOCLSA-N 0 1 261.287 3.751 20 0 CHADMN Fc1ccc(/C=C\CN2CCC(F)(F)CC2)cc1 ZINC000793360146 1130544409 /nfs/dbraw/zinc/54/44/09/1130544409.db2.gz QSRQVAUVTNCVQL-UPHRSURJSA-N 0 1 255.283 3.570 20 0 CHADMN Fc1ccc(CN2CCC(F)(F)CC2)c2ncccc12 ZINC000793362812 1130545537 /nfs/dbraw/zinc/54/55/37/1130545537.db2.gz WCYOVWZKGYQCQL-UHFFFAOYSA-N 0 1 280.293 3.605 20 0 CHADMN COc1ccc([C@@H](NC2CSC2)c2ccc(C)cc2)cc1 ZINC000679626868 1130547397 /nfs/dbraw/zinc/54/73/97/1130547397.db2.gz ALGUDIRWEBKPKC-SFHVURJKSA-N 0 1 299.439 3.798 20 0 CHADMN CC1(C(=O)Nc2cnn(-c3ccncc3)c2)CCCCCC1 ZINC000679656145 1130549532 /nfs/dbraw/zinc/54/95/32/1130549532.db2.gz VAUIFNLYUCMPRO-UHFFFAOYSA-N 0 1 298.390 3.566 20 0 CHADMN CCCOc1ccc(CN2CCC[C@H](OC(F)F)C2)cc1 ZINC000679678685 1130551524 /nfs/dbraw/zinc/55/15/24/1130551524.db2.gz ODSOFIKHWOGDSJ-HNNXBMFYSA-N 0 1 299.361 3.679 20 0 CHADMN Cn1nc(C2CCCC2)cc1NCc1[nH]nc2ccccc21 ZINC000679751089 1130554316 /nfs/dbraw/zinc/55/43/16/1130554316.db2.gz RGBKBYYFUSBPQM-UHFFFAOYSA-N 0 1 295.390 3.566 20 0 CHADMN COc1ccc(-c2cnc(-c3ccccc3O)nc2)cc1 ZINC001241001588 1130559071 /nfs/dbraw/zinc/55/90/71/1130559071.db2.gz AHJCWKAIVKRBHQ-UHFFFAOYSA-N 0 1 278.311 3.525 20 0 CHADMN CCOc1ccc([C@H](C)N[C@@H](C)c2cc(C)nn2C)cc1 ZINC000793521712 1130561856 /nfs/dbraw/zinc/56/18/56/1130561856.db2.gz XGFKUEJYVWCGRE-KBPBESRZSA-N 0 1 287.407 3.539 20 0 CHADMN COc1cccc(F)c1-c1cc2nc[nH]c2cc1C ZINC001241010805 1130564712 /nfs/dbraw/zinc/56/47/12/1130564712.db2.gz IBZVXBQZHVJBQZ-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1cccc(-c2ccncc2)c1 ZINC001137393899 1130566430 /nfs/dbraw/zinc/56/64/30/1130566430.db2.gz NZSIIXCLCHEOMI-LJQANCHMSA-N 0 1 294.398 3.692 20 0 CHADMN Cc1cc([C@@H](C)NC2(c3cccc(Cl)c3)CC2)n(C)n1 ZINC000793545419 1130567896 /nfs/dbraw/zinc/56/78/96/1130567896.db2.gz CZLQYGPKVXGOSW-GFCCVEGCSA-N 0 1 289.810 3.722 20 0 CHADMN Cc1cc([C@H](C)NCc2cccc(C(C)C)c2)n(C)n1 ZINC000793556216 1130569806 /nfs/dbraw/zinc/56/98/06/1130569806.db2.gz FFHODMUZSAHJKN-AWEZNQCLSA-N 0 1 271.408 3.703 20 0 CHADMN CC[C@@H](OC(=O)[C@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000758138435 1130600272 /nfs/dbraw/zinc/60/02/72/1130600272.db2.gz OXZTVJXVMBPFNX-XJKSGUPXSA-N 0 1 284.359 3.524 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000758335332 1130605724 /nfs/dbraw/zinc/60/57/24/1130605724.db2.gz ONOBRPYXYNKNIM-HLLBOEOZSA-N 0 1 294.483 3.582 20 0 CHADMN COc1ccc2c(c1)C1(CC1)CN(Cc1cc(C)oc1C)C2 ZINC000811518693 1130615328 /nfs/dbraw/zinc/61/53/28/1130615328.db2.gz OZNFLCYOIPRAPX-UHFFFAOYSA-N 0 1 297.398 3.952 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)C1(F)CCCCC1 ZINC000811526855 1130615719 /nfs/dbraw/zinc/61/57/19/1130615719.db2.gz CRDXSLKDYFFWTC-UHFFFAOYSA-N 0 1 289.709 3.796 20 0 CHADMN CCOC(=O)C1(C(C)C)CCN(Cc2ccsc2)CC1 ZINC001204042672 1130619584 /nfs/dbraw/zinc/61/95/84/1130619584.db2.gz LIZDGKRFIUQLQA-UHFFFAOYSA-N 0 1 295.448 3.549 20 0 CHADMN CCC(CC)[N@@H+](Cn1nc(C(F)(F)F)cc1C)C1CC1 ZINC000811736551 1130641950 /nfs/dbraw/zinc/64/19/50/1130641950.db2.gz XMNNJZBJBJDQAQ-UHFFFAOYSA-N 0 1 289.345 3.821 20 0 CHADMN Cc1cc(C(F)(F)F)nn1CN1C[C@H](C)CCC[C@H]1C ZINC000811753818 1130643202 /nfs/dbraw/zinc/64/32/02/1130643202.db2.gz YKZHRRTYSBTNGM-GHMZBOCLSA-N 0 1 289.345 3.678 20 0 CHADMN CCc1cccc2c(C3CCN(CCF)CC3)c[nH]c21 ZINC000759325971 1130650632 /nfs/dbraw/zinc/65/06/32/1130650632.db2.gz CLVVCTUBQJYKHZ-UHFFFAOYSA-N 0 1 274.383 3.879 20 0 CHADMN CC(C)N(CCF)Cc1cccc(Br)c1 ZINC000759330050 1130651759 /nfs/dbraw/zinc/65/17/59/1130651759.db2.gz ARVFPSSXBIEQTJ-UHFFFAOYSA-N 0 1 274.177 3.629 20 0 CHADMN Cc1cc(C)c(O)c(NC(=O)c2cc(Cl)ccc2O)c1 ZINC001170655252 1130662209 /nfs/dbraw/zinc/66/22/09/1130662209.db2.gz GOHJBISYCPNQIA-UHFFFAOYSA-N 0 1 291.734 3.620 20 0 CHADMN Cc1nc(C)c(CN(Cc2ccccn2)C2CCCCC2)[nH]1 ZINC001234645129 1130666592 /nfs/dbraw/zinc/66/65/92/1130666592.db2.gz LUVLKEAPAWFVCR-UHFFFAOYSA-N 0 1 298.434 3.756 20 0 CHADMN CCCCCc1ccc(O[C@H]2CCN(C)C2)c(F)c1 ZINC001234667475 1130671655 /nfs/dbraw/zinc/67/16/55/1130671655.db2.gz ICWLHWCVVIPGCG-AWEZNQCLSA-N 0 1 265.372 3.641 20 0 CHADMN CSc1ccc(F)cc1CNCc1cc(C)nc(C)c1 ZINC001308287702 1130675131 /nfs/dbraw/zinc/67/51/31/1130675131.db2.gz YXWFCLVLXYZPMC-UHFFFAOYSA-N 0 1 290.407 3.849 20 0 CHADMN FCCN1CCC(Oc2cccc3cc(F)ccc32)CC1 ZINC001234844153 1130680399 /nfs/dbraw/zinc/68/03/99/1130680399.db2.gz BCPCXBGSIBWMKI-UHFFFAOYSA-N 0 1 291.341 3.792 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccc([C@@H](C)O)cc1 ZINC000780719612 1130688027 /nfs/dbraw/zinc/68/80/27/1130688027.db2.gz IHBHLAIERFPKPF-ZIAGYGMSSA-N 0 1 284.403 3.548 20 0 CHADMN CC/C(C)=C(\C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000780863786 1130693605 /nfs/dbraw/zinc/69/36/05/1130693605.db2.gz WLDYVRXBJQNSRS-MDZDMXLPSA-N 0 1 257.337 3.556 20 0 CHADMN CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000780961148 1130696801 /nfs/dbraw/zinc/69/68/01/1130696801.db2.gz WELHYQSTRSHCRJ-NEPJUHHUSA-N 0 1 280.387 3.508 20 0 CHADMN O=C(OC[C@@H]1C[C@H]1c1ccccc1)c1cccc2[nH]ncc21 ZINC000812595021 1130702679 /nfs/dbraw/zinc/70/26/79/1130702679.db2.gz WTKRKEUZIVXEOD-ZFWWWQNUSA-N 0 1 292.338 3.523 20 0 CHADMN C[C@@H]1CN(Cc2c[nH]c(-c3ccccc3F)c2)C[C@@H]1F ZINC001235033994 1130703164 /nfs/dbraw/zinc/70/31/64/1130703164.db2.gz BTIAHDZRKSUPON-ABAIWWIYSA-N 0 1 276.330 3.611 20 0 CHADMN c1cc2c(s1)CCN(Cc1cccc(N3CCCC3)c1)C2 ZINC001235084373 1130709003 /nfs/dbraw/zinc/70/90/03/1130709003.db2.gz UNBOVRHSTKJNNV-UHFFFAOYSA-N 0 1 298.455 3.907 20 0 CHADMN Fc1cccc(CNCc2ccc(SC(F)F)cc2)n1 ZINC000781635819 1130732514 /nfs/dbraw/zinc/73/25/14/1130732514.db2.gz MEMYNYZOFMSRAI-UHFFFAOYSA-N 0 1 298.333 3.825 20 0 CHADMN CCOc1cc(O)cc(CN(C)C/C=C/c2ccccc2)c1 ZINC001235409669 1130740820 /nfs/dbraw/zinc/74/08/20/1130740820.db2.gz NWKKZHDFZWDOME-JXMROGBWSA-N 0 1 297.398 3.936 20 0 CHADMN C[N@@H+](Cc1ncc(Cl)cn1)C(C)(C)Cc1ccccc1 ZINC001235422165 1130742727 /nfs/dbraw/zinc/74/27/27/1130742727.db2.gz LRMLTVQKUBAYMJ-UHFFFAOYSA-N 0 1 289.810 3.583 20 0 CHADMN CN(Cc1ncc(Cl)cn1)C(C)(C)Cc1ccccc1 ZINC001235422165 1130742732 /nfs/dbraw/zinc/74/27/32/1130742732.db2.gz LRMLTVQKUBAYMJ-UHFFFAOYSA-N 0 1 289.810 3.583 20 0 CHADMN COc1cc(C[N@H+]2CCC[C@@H](C)CC2)cc(F)c1F ZINC001235435467 1130743025 /nfs/dbraw/zinc/74/30/25/1130743025.db2.gz XOMGTDLBEWKEHL-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN COc1cc(CN2CCC[C@@H](C)CC2)cc(F)c1F ZINC001235435467 1130743031 /nfs/dbraw/zinc/74/30/31/1130743031.db2.gz XOMGTDLBEWKEHL-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN CCOc1cc(C[N@H+]2CC[C@@H](C)C2)ccc1Br ZINC001235437493 1130743979 /nfs/dbraw/zinc/74/39/79/1130743979.db2.gz HLCYRYQQVAHXOJ-LLVKDONJSA-N 0 1 298.224 3.690 20 0 CHADMN CCOc1cc(CN2CC[C@@H](C)C2)ccc1Br ZINC001235437493 1130743983 /nfs/dbraw/zinc/74/39/83/1130743983.db2.gz HLCYRYQQVAHXOJ-LLVKDONJSA-N 0 1 298.224 3.690 20 0 CHADMN COc1cc(CN2CCC[C@H](C)[C@H]2C)cc(F)c1F ZINC001235445152 1130744800 /nfs/dbraw/zinc/74/48/00/1130744800.db2.gz HPZAGUTVIGYSJF-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN COC(CN(C)[C@H](C)c1ccc(Cl)c(Cl)c1)OC ZINC000781883973 1130745137 /nfs/dbraw/zinc/74/51/37/1130745137.db2.gz UGXBQWGSABSNDA-SECBINFHSA-N 0 1 292.206 3.605 20 0 CHADMN COC(CN(Cc1ccccc1Cl)C1CCCC1)OC ZINC000781891574 1130745894 /nfs/dbraw/zinc/74/58/94/1130745894.db2.gz YTMZPVUACHNPRN-UHFFFAOYSA-N 0 1 297.826 3.704 20 0 CHADMN Cc1ccnc(CN(C)CCc2ccccc2)c1Cl ZINC001235575085 1130756148 /nfs/dbraw/zinc/75/61/48/1130756148.db2.gz NJFVCSLVMDHMHM-UHFFFAOYSA-N 0 1 274.795 3.718 20 0 CHADMN Clc1cc(CN2CCC(C3CCC3)CC2)ccn1 ZINC000693090543 1130756829 /nfs/dbraw/zinc/75/68/29/1130756829.db2.gz WJYVDXZWWQHLOQ-UHFFFAOYSA-N 0 1 264.800 3.747 20 0 CHADMN Cc1ccnc(CN2C[C@H](C)C[C@H](C)C2)c1Cl ZINC001235589585 1130757647 /nfs/dbraw/zinc/75/76/47/1130757647.db2.gz WGUGJGHEGWADEG-PHIMTYICSA-N 0 1 252.789 3.521 20 0 CHADMN C[C@@H](C1CC1)N1CCc2c(Br)cccc2C1 ZINC000782183301 1130758366 /nfs/dbraw/zinc/75/83/66/1130758366.db2.gz KAGLRQCENHNJNE-JTQLQIEISA-N 0 1 280.209 3.606 20 0 CHADMN CC[C@H]1CCCCN1Cc1c(C)cncc1Br ZINC001235643367 1130760539 /nfs/dbraw/zinc/76/05/39/1130760539.db2.gz TYBLQRYFJDCTPH-LBPRGKRZSA-N 0 1 297.240 3.917 20 0 CHADMN C[C@H]1CN(Cc2cccn2C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001235638090 1130760585 /nfs/dbraw/zinc/76/05/85/1130760585.db2.gz VMQLPXMWYBGCAQ-CYBMUJFWSA-N 0 1 290.407 3.646 20 0 CHADMN CN(CCC1CC1)Cc1cccn1C(=O)OC(C)(C)C ZINC001235643284 1130760812 /nfs/dbraw/zinc/76/08/12/1130760812.db2.gz RQPVNHQJMPAZEJ-UHFFFAOYSA-N 0 1 278.396 3.503 20 0 CHADMN CC1CC(N(C)Cc2cccn2C(=O)OC(C)(C)C)C1 ZINC001235625946 1130761253 /nfs/dbraw/zinc/76/12/53/1130761253.db2.gz PIVQWQIGABHEBB-UHFFFAOYSA-N 0 1 278.396 3.502 20 0 CHADMN CN(Cc1cccc2c1CCN2)Cc1ccccc1Cl ZINC001235664933 1130763758 /nfs/dbraw/zinc/76/37/58/1130763758.db2.gz ZZUROYUXPCZTQO-UHFFFAOYSA-N 0 1 286.806 3.940 20 0 CHADMN C[C@H]1CN(Cc2nc3ccc(F)cc3[nH]2)Cc2ccccc21 ZINC001235681548 1130767557 /nfs/dbraw/zinc/76/75/57/1130767557.db2.gz CLLFWWYHWBNISI-LBPRGKRZSA-N 0 1 295.361 3.821 20 0 CHADMN CC1(C)CN(Cc2nc3ccc(F)cc3[nH]2)CCC1(F)F ZINC001235683097 1130768137 /nfs/dbraw/zinc/76/81/37/1130768137.db2.gz NFFHFEBHJQSYCN-UHFFFAOYSA-N 0 1 297.324 3.569 20 0 CHADMN Nc1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1F ZINC001235716092 1130771000 /nfs/dbraw/zinc/77/10/00/1130771000.db2.gz YRRBNFAZPQEXII-KRWDZBQOSA-N 0 1 288.341 3.884 20 0 CHADMN Cc1ccc(F)c(CN2C[C@H]3CC[C@@H]2C3)c1Br ZINC001235767748 1130779091 /nfs/dbraw/zinc/77/90/91/1130779091.db2.gz UQOYDAWRJZHDGX-WDEREUQCSA-N 0 1 298.199 3.881 20 0 CHADMN COc1ccccc1[C@@H]1CCCCN1Cc1cnoc1C ZINC000782496363 1130780890 /nfs/dbraw/zinc/78/08/90/1130780890.db2.gz NXVULABWZNOSTD-INIZCTEOSA-N 0 1 286.375 3.719 20 0 CHADMN CCN(CCc1ccccn1)Cc1cc(F)ccc1Cl ZINC000782513400 1130781532 /nfs/dbraw/zinc/78/15/32/1130781532.db2.gz ZTEJUFVCDRKQHV-UHFFFAOYSA-N 0 1 292.785 3.939 20 0 CHADMN OCC[C@@H](NCc1cc(F)ccc1Cl)c1cccs1 ZINC000782529842 1130781938 /nfs/dbraw/zinc/78/19/38/1130781938.db2.gz DOKMFRJJYKCRBO-CYBMUJFWSA-N 0 1 299.798 3.754 20 0 CHADMN COc1nccc(CN2CCCCC[C@H]2C)c1Cl ZINC001235832547 1130785888 /nfs/dbraw/zinc/78/58/88/1130785888.db2.gz KPJMKEZVHRUSNB-LLVKDONJSA-N 0 1 268.788 3.508 20 0 CHADMN COc1nccc(CN2CCC3(C2)CCCCC3)c1Cl ZINC001235844064 1130786239 /nfs/dbraw/zinc/78/62/39/1130786239.db2.gz HGWDIOBCLGCRBB-UHFFFAOYSA-N 0 1 294.826 3.900 20 0 CHADMN CCSc1cccc(CN[C@@H](C)c2cc(C)nn2C)c1 ZINC000813884105 1130795039 /nfs/dbraw/zinc/79/50/39/1130795039.db2.gz IGYXNAOCVIEJQX-ZDUSSCGKSA-N 0 1 289.448 3.691 20 0 CHADMN CCN(Cc1cccc2c1NCC2)Cc1ccccc1F ZINC001235961045 1130819276 /nfs/dbraw/zinc/81/92/76/1130819276.db2.gz VOTJYWOFUVEAAP-UHFFFAOYSA-N 0 1 284.378 3.816 20 0 CHADMN Oc1c(F)cc(F)c(-c2nncc3cc(F)ccc32)c1F ZINC001235985064 1130822951 /nfs/dbraw/zinc/82/29/51/1130822951.db2.gz NECIGBNYEZWLTN-UHFFFAOYSA-N 0 1 294.207 3.559 20 0 CHADMN Cc1cccc(-c2c(F)cc(F)c(O)c2F)c1F ZINC001235994077 1130824154 /nfs/dbraw/zinc/82/41/54/1130824154.db2.gz JIEKTZLTMRFYKC-UHFFFAOYSA-N 0 1 256.198 3.924 20 0 CHADMN Cc1c(F)cccc1-c1c(F)cc(F)c(O)c1F ZINC001235993982 1130824835 /nfs/dbraw/zinc/82/48/35/1130824835.db2.gz IDJMVNQIWRDJOQ-UHFFFAOYSA-N 0 1 256.198 3.924 20 0 CHADMN Oc1c(F)cc(F)c(-c2cc(F)cc(F)c2F)c1F ZINC001235993899 1130825155 /nfs/dbraw/zinc/82/51/55/1130825155.db2.gz HGXDLGJLLRDYBO-UHFFFAOYSA-N 0 1 278.151 3.894 20 0 CHADMN COc1cc(F)ccc1-c1c(F)cc(F)c(O)c1F ZINC001235994066 1130825502 /nfs/dbraw/zinc/82/55/02/1130825502.db2.gz JBIQFRSFJPXXKZ-UHFFFAOYSA-N 0 1 272.197 3.624 20 0 CHADMN Cc1cc2c(ccnc2-c2c(F)cc(F)c(O)c2F)o1 ZINC001235994585 1130825600 /nfs/dbraw/zinc/82/56/00/1130825600.db2.gz UFLUEZKINLZXGB-UHFFFAOYSA-N 0 1 279.217 3.926 20 0 CHADMN Oc1c(F)cc(F)c(-c2cncc(C(F)(F)F)c2)c1F ZINC001235994097 1130825864 /nfs/dbraw/zinc/82/58/64/1130825864.db2.gz JPYWDFYMDAGXKZ-UHFFFAOYSA-N 0 1 293.166 3.890 20 0 CHADMN C[C@H]1C(=O)Nc2ccc(-c3c(F)cc(F)c(O)c3F)cc21 ZINC001235996540 1130826961 /nfs/dbraw/zinc/82/69/61/1130826961.db2.gz WAYRPRRSBWHCEW-ZCFIWIBFSA-N 0 1 293.244 3.532 20 0 CHADMN Cc1cc(-c2c(F)cc(F)c(O)c2F)cnc1OC(C)C ZINC001236002886 1130828887 /nfs/dbraw/zinc/82/88/87/1130828887.db2.gz UCYMQIPKXOJZOU-UHFFFAOYSA-N 0 1 297.276 3.967 20 0 CHADMN COCc1ccccc1-c1c(F)cc(F)c(O)c1F ZINC001236001986 1130829156 /nfs/dbraw/zinc/82/91/56/1130829156.db2.gz HDYFWJCUQLJHAN-UHFFFAOYSA-N 0 1 268.234 3.623 20 0 CHADMN CC(C)COc1cc(-c2c(F)cc(F)c(O)c2F)ccn1 ZINC001236000224 1130829939 /nfs/dbraw/zinc/82/99/39/1130829939.db2.gz PMBAMFKCDFXJFE-UHFFFAOYSA-N 0 1 297.276 3.906 20 0 CHADMN Cc1cc(C)c(-c2c(F)cc(F)c(O)c2F)c(C)n1 ZINC001236000956 1130830423 /nfs/dbraw/zinc/83/04/23/1130830423.db2.gz QJCYFSLDAQVKCA-UHFFFAOYSA-N 0 1 267.250 3.797 20 0 CHADMN COc1ccc(F)c(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001137997716 1130836420 /nfs/dbraw/zinc/83/64/20/1130836420.db2.gz ZILLGQOYTNSJBL-OKILXGFUSA-N 0 1 297.373 3.921 20 0 CHADMN CC(C)CCCCCC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000747906289 1130837909 /nfs/dbraw/zinc/83/79/09/1130837909.db2.gz FOHXJTHCGJEWKM-UHFFFAOYSA-N 0 1 290.367 3.610 20 0 CHADMN C[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)nc1 ZINC001236057533 1130841649 /nfs/dbraw/zinc/84/16/49/1130841649.db2.gz CQNFDUPDSNMVMS-QGZVFWFLSA-N 0 1 296.370 3.604 20 0 CHADMN COc1ccc2cc(CNCc3cccc(F)n3)ccc2c1 ZINC000747926266 1130849513 /nfs/dbraw/zinc/84/95/13/1130849513.db2.gz OEGYUYDGRBDVES-UHFFFAOYSA-N 0 1 296.345 3.672 20 0 CHADMN COC(=O)c1cc2ccc(-c3cccc(C4CC4)c3)[nH]c-2n1 ZINC001236082179 1130852019 /nfs/dbraw/zinc/85/20/19/1130852019.db2.gz QAEDWZCPGCQTSN-UHFFFAOYSA-N 0 1 292.338 3.894 20 0 CHADMN Cc1ccccc1[C@@H](O)CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000814251129 1130856129 /nfs/dbraw/zinc/85/61/29/1130856129.db2.gz DQIQIVFDPVGGNR-ZWKOTPCHSA-N 0 1 296.414 3.507 20 0 CHADMN CC(C)(C)c1nc2nc[nH]c2c(-c2ccc(Cl)cc2)n1 ZINC001236091199 1130858534 /nfs/dbraw/zinc/85/85/34/1130858534.db2.gz UOJBKXKUVSXSKN-UHFFFAOYSA-N 0 1 286.766 3.971 20 0 CHADMN Cc1nc2cccc(-c3cccnc3OC(C)C)c2[nH]1 ZINC001236101750 1130861359 /nfs/dbraw/zinc/86/13/59/1130861359.db2.gz BWGNMCKPUWVRLV-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN CC(C)(C)c1ccc(CNCc2cccc(F)n2)s1 ZINC000747936207 1130866504 /nfs/dbraw/zinc/86/65/04/1130866504.db2.gz RGMKEGMTNBNOCM-UHFFFAOYSA-N 0 1 278.396 3.870 20 0 CHADMN Cc1c(Cl)cnn1CN1CC[C@H](c2cccc(C)c2)C1 ZINC000784025166 1130870194 /nfs/dbraw/zinc/87/01/94/1130870194.db2.gz JYFKMUZNSKBHBX-HNNXBMFYSA-N 0 1 289.810 3.600 20 0 CHADMN C[C@@H](CC(=O)OCc1nnc(C(C)(C)C)[nH]1)CC(C)(C)C ZINC000814444736 1130876081 /nfs/dbraw/zinc/87/60/81/1130876081.db2.gz GVBUMTHBMDDXFH-NSHDSACASA-N 0 1 295.427 3.608 20 0 CHADMN C[C@@H](CC(=O)OCc1n[nH]c(C(C)(C)C)n1)CC(C)(C)C ZINC000814444736 1130876087 /nfs/dbraw/zinc/87/60/87/1130876087.db2.gz GVBUMTHBMDDXFH-NSHDSACASA-N 0 1 295.427 3.608 20 0 CHADMN Nc1cccc(CN2CCC[C@H]2c2c(F)cccc2F)c1 ZINC001236189840 1130881423 /nfs/dbraw/zinc/88/14/23/1130881423.db2.gz PBSDICZTABCFOE-INIZCTEOSA-N 0 1 288.341 3.884 20 0 CHADMN CC[C@@](C)(NCc1n[nH]c(C(C)(C)C)n1)c1ccccc1 ZINC000814629148 1130889511 /nfs/dbraw/zinc/88/95/11/1130889511.db2.gz IHEMMKCGBLSUSX-QGZVFWFLSA-N 0 1 286.423 3.517 20 0 CHADMN C[C@H](c1cccnc1)N(C)Cc1cncc2ccccc21 ZINC000784222572 1130892191 /nfs/dbraw/zinc/89/21/91/1130892191.db2.gz KWEAFHHETGOWNC-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN C[C@H](NC[C@](C)(O)C(F)F)c1cccc(Cl)c1Cl ZINC000698703036 1130894240 /nfs/dbraw/zinc/89/42/40/1130894240.db2.gz KOPDIBDPFRZYJX-MADCSZMMSA-N 0 1 298.160 3.660 20 0 CHADMN Nc1ccc2c(c1)CN(Cc1c3ccoc3ccc1F)CC2 ZINC001236232374 1130899859 /nfs/dbraw/zinc/89/98/59/1130899859.db2.gz CHWVXNJTXSMBIM-UHFFFAOYSA-N 0 1 296.345 3.712 20 0 CHADMN Cc1c(Cl)cccc1CN1CCc2ccc(N)cc2C1 ZINC001236232535 1130900978 /nfs/dbraw/zinc/90/09/78/1130900978.db2.gz CVOPYYYYDMOOJS-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN Cc1ccc(Cl)c(CN2CCc3c(N)cccc3C2)c1 ZINC001236367240 1130920073 /nfs/dbraw/zinc/92/00/73/1130920073.db2.gz KZHCIDNUCCIIFL-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN CCCOc1ccccc1CN1CCc2c(N)cccc2C1 ZINC001236364290 1130920218 /nfs/dbraw/zinc/92/02/18/1130920218.db2.gz XLRQGGFKFSTRRC-UHFFFAOYSA-N 0 1 296.414 3.616 20 0 CHADMN Cc1nc2ccsc2c(-c2c(F)ccc(C)c2O)n1 ZINC001236391554 1130927067 /nfs/dbraw/zinc/92/70/67/1130927067.db2.gz OBECIFUOAZAHRZ-UHFFFAOYSA-N 0 1 274.320 3.820 20 0 CHADMN CC(C)Oc1ccc(N[C@H]2CCCc3[nH]ncc32)c(F)c1 ZINC000796896158 1130943230 /nfs/dbraw/zinc/94/32/30/1130943230.db2.gz ILCUJMCFFIYOKJ-AWEZNQCLSA-N 0 1 289.354 3.826 20 0 CHADMN COc1cc(Cl)ccc1N[C@@H]1CCCc2[nH]ncc21 ZINC000796946212 1130947728 /nfs/dbraw/zinc/94/77/28/1130947728.db2.gz BRUFMONEPCGBQJ-LLVKDONJSA-N 0 1 277.755 3.561 20 0 CHADMN CC[C@@]1(C)Oc2ccc(N[C@H]3CCCc4[nH]ncc43)cc2O1 ZINC000796959235 1130948616 /nfs/dbraw/zinc/94/86/16/1130948616.db2.gz MUUIGDKQEHNQFK-GUYCJALGSA-N 0 1 299.374 3.797 20 0 CHADMN Cc1ccc(-c2cc(N3CCCC3)ccn2)c2c[nH]nc21 ZINC001236482161 1130951809 /nfs/dbraw/zinc/95/18/09/1130951809.db2.gz CSMQQGSKQSTUAO-UHFFFAOYSA-N 0 1 278.359 3.534 20 0 CHADMN CC(C)C[C@@H]1CCN(Cc2ccnc(Br)c2)C1 ZINC000815055831 1130952464 /nfs/dbraw/zinc/95/24/64/1130952464.db2.gz PBJJNRNVEZHDPR-ZDUSSCGKSA-N 0 1 297.240 3.712 20 0 CHADMN Brc1cc(CN2C3CCCC2CCC3)ccn1 ZINC000815053831 1130952889 /nfs/dbraw/zinc/95/28/89/1130952889.db2.gz AZNPEXYQZWYBOU-UHFFFAOYSA-N 0 1 295.224 3.751 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1ccnc(Br)c1 ZINC000815079460 1130955841 /nfs/dbraw/zinc/95/58/41/1130955841.db2.gz TTYOXPNZJUVHRZ-CMPLNLGQSA-N 0 1 283.213 3.607 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1N[C@@H](C)CCO ZINC000797045889 1130956147 /nfs/dbraw/zinc/95/61/47/1130956147.db2.gz UQLJDYBCUAWCLT-HNNXBMFYSA-N 0 1 276.424 3.558 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1ccnc(Br)c1 ZINC000815079464 1130956505 /nfs/dbraw/zinc/95/65/05/1130956505.db2.gz TTYOXPNZJUVHRZ-PWSUYJOCSA-N 0 1 283.213 3.607 20 0 CHADMN CO[C@@H](CNCc1ccc(C2CCC2)cc1)C(F)(F)F ZINC000815126763 1130959307 /nfs/dbraw/zinc/95/93/07/1130959307.db2.gz QMEKFDOJOAUUIO-AWEZNQCLSA-N 0 1 287.325 3.621 20 0 CHADMN C[C@@H](N[C@@H](C)Cc1cccc(F)c1)c1c(F)cncc1F ZINC000797129261 1130963675 /nfs/dbraw/zinc/96/36/75/1130963675.db2.gz VKLZQXLXLRSNGN-WDEREUQCSA-N 0 1 294.320 3.781 20 0 CHADMN CC(F)(F)c1ccc(CNCc2ccc(F)nc2)cc1 ZINC000815141454 1130966422 /nfs/dbraw/zinc/96/64/22/1130966422.db2.gz AIXLGXGZAHHLIL-UHFFFAOYSA-N 0 1 280.293 3.622 20 0 CHADMN Cl/C=C\CN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000815207698 1130972371 /nfs/dbraw/zinc/97/23/71/1130972371.db2.gz NEPBJYMTMBCABX-JLMCXJIMSA-N 0 1 272.175 3.546 20 0 CHADMN Cc1cc(Cl)cc(CN2CCC[C@@H](C)[C@H]2C)n1 ZINC001236638837 1130987762 /nfs/dbraw/zinc/98/77/62/1130987762.db2.gz LCJGNBPNGZZLOR-ZYHUDNBSSA-N 0 1 252.789 3.664 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H]2C)cc1Br ZINC001236659121 1130989614 /nfs/dbraw/zinc/98/96/14/1130989614.db2.gz KEVWTIIAINMVHY-NSHDSACASA-N 0 1 298.224 3.832 20 0 CHADMN COc1cccc(Br)c1CN(C)C1CCCC1 ZINC001236674226 1130990463 /nfs/dbraw/zinc/99/04/63/1130990463.db2.gz RRHZYBAABYHQGF-UHFFFAOYSA-N 0 1 298.224 3.832 20 0 CHADMN COc1cccc(Br)c1CN1CCC[C@H](C)C1 ZINC001236669081 1130990596 /nfs/dbraw/zinc/99/05/96/1130990596.db2.gz DTUOAUOZZVCALN-NSHDSACASA-N 0 1 298.224 3.690 20 0 CHADMN CC1=C[C@@H](C)CN(C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000797526259 1130991371 /nfs/dbraw/zinc/99/13/71/1130991371.db2.gz KJXYCFUQMOQEJI-ABAIWWIYSA-N 0 1 299.336 3.637 20 0 CHADMN C[C@H]1CN(Cc2cccc3sccc32)CCCC1=O ZINC001236680962 1130992556 /nfs/dbraw/zinc/99/25/56/1130992556.db2.gz CVXOXYZONVFFSP-LBPRGKRZSA-N 0 1 273.401 3.702 20 0 CHADMN C[C@@H]1CCN(Cc2cccc3sccc32)CCC1=O ZINC001236685417 1130993995 /nfs/dbraw/zinc/99/39/95/1130993995.db2.gz BYXPEHHLZDSOJS-GFCCVEGCSA-N 0 1 273.401 3.702 20 0 CHADMN CC[C@@H]1COCCN1Cc1cccc2sccc21 ZINC001236690452 1130994073 /nfs/dbraw/zinc/99/40/73/1130994073.db2.gz RTQQFFLJBNYQFR-CYBMUJFWSA-N 0 1 261.390 3.512 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(Br)c([O-])c1)CC1CC1 ZINC001236688531 1130994132 /nfs/dbraw/zinc/99/41/32/1130994132.db2.gz WVBPGQQWYPKYSE-UHFFFAOYSA-N 0 1 298.224 3.775 20 0 CHADMN CC(C)[N@H+](Cc1ccc(Br)c([O-])c1)CC1CC1 ZINC001236688531 1130994134 /nfs/dbraw/zinc/99/41/34/1130994134.db2.gz WVBPGQQWYPKYSE-UHFFFAOYSA-N 0 1 298.224 3.775 20 0 CHADMN C[C@@H]1CN(Cc2cccc3sccc32)C[C@H](C)O1 ZINC001236684156 1130994742 /nfs/dbraw/zinc/99/47/42/1130994742.db2.gz ZFJZFQAWAJKMKX-TXEJJXNPSA-N 0 1 261.390 3.511 20 0 CHADMN Oc1cc(CN2CCC[C@H]2c2cccs2)ccc1F ZINC001236705355 1130995411 /nfs/dbraw/zinc/99/54/11/1130995411.db2.gz LOKBVAJQIBROEP-ZDUSSCGKSA-N 0 1 277.364 3.930 20 0 CHADMN CCOc1ccccc1CNCc1cc(C)nc(Cl)c1 ZINC000797596689 1130996053 /nfs/dbraw/zinc/99/60/53/1130996053.db2.gz POWYQEYNAKLRLV-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN Cc1c(F)ccc(CN2CCCC[C@@](C)(O)C2)c1Cl ZINC001236707054 1130996304 /nfs/dbraw/zinc/99/63/04/1130996304.db2.gz AHIUQLMQQZVXMO-OAHLLOKOSA-N 0 1 285.790 3.524 20 0 CHADMN CCOc1ncc(CN2CCCC3(CCCC3)C2)cc1F ZINC001236691774 1130996724 /nfs/dbraw/zinc/99/67/24/1130996724.db2.gz IWQCJIKQLBWMKH-UHFFFAOYSA-N 0 1 292.398 3.776 20 0 CHADMN C[N@H+](Cc1ccc(F)c([O-])c1)[C@H]1CCc2ccccc21 ZINC001236713605 1130997016 /nfs/dbraw/zinc/99/70/16/1130997016.db2.gz OJQRKVJQOPKJEA-INIZCTEOSA-N 0 1 271.335 3.651 20 0 CHADMN C[N@@H+](Cc1ccc(F)c([O-])c1)[C@H]1CCc2ccccc21 ZINC001236713605 1130997021 /nfs/dbraw/zinc/99/70/21/1130997021.db2.gz OJQRKVJQOPKJEA-INIZCTEOSA-N 0 1 271.335 3.651 20 0 CHADMN COCCN(Cc1ccc(F)c(C)c1Cl)C(C)C ZINC001236709953 1130997462 /nfs/dbraw/zinc/99/74/62/1130997462.db2.gz FUAPKGJTBRQFQI-UHFFFAOYSA-N 0 1 273.779 3.644 20 0 CHADMN COC[C@H]1CCCCN1Cc1ccc(F)c(C)c1Cl ZINC001236708937 1130997687 /nfs/dbraw/zinc/99/76/87/1130997687.db2.gz UGOOBAHEFKJOKX-CYBMUJFWSA-N 0 1 285.790 3.788 20 0 CHADMN Cc1c(F)ccc(CN2CC[C@H]3OCCC[C@@H]3C2)c1Cl ZINC001236708895 1130997708 /nfs/dbraw/zinc/99/77/08/1130997708.db2.gz RYDBCJARWVACLY-IUODEOHRSA-N 0 1 297.801 3.788 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)N[C@H](C)c1ccccn1 ZINC000815552981 1130998660 /nfs/dbraw/zinc/99/86/60/1130998660.db2.gz OXESIIQLKADUHY-CHWSQXEVSA-N 0 1 258.340 3.941 20 0 CHADMN CC1(C)CCC[N@H+]1Cc1ccc(OC(F)F)cc1F ZINC001236719719 1130998746 /nfs/dbraw/zinc/99/87/46/1130998746.db2.gz YVIAOYYREQFPMD-UHFFFAOYSA-N 0 1 273.298 3.802 20 0 CHADMN FC[C@H]1CCCN(Cc2ccc(OC(F)F)cc2F)C1 ZINC001236720596 1130998801 /nfs/dbraw/zinc/99/88/01/1130998801.db2.gz OSPSMDPVUXMADW-SNVBAGLBSA-N 0 1 291.288 3.609 20 0 CHADMN Cc1c(F)ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1Cl ZINC001236719407 1130998974 /nfs/dbraw/zinc/99/89/74/1130998974.db2.gz QPPNSZYCWAZCHX-INIZCTEOSA-N 0 1 297.801 3.790 20 0 CHADMN Cc1c(F)ccc(CN2CC[C@]3(C2)CCCOC3)c1Cl ZINC001236719407 1130998978 /nfs/dbraw/zinc/99/89/78/1130998978.db2.gz QPPNSZYCWAZCHX-INIZCTEOSA-N 0 1 297.801 3.790 20 0 CHADMN FCC1CCN(Cc2ccc(OC(F)F)cc2F)CC1 ZINC001236721114 1130999837 /nfs/dbraw/zinc/99/98/37/1130999837.db2.gz WEOKBRHRYQNNCE-UHFFFAOYSA-N 0 1 291.288 3.609 20 0 CHADMN Cc1ccc2nc(CN[C@H](C)c3ccc(F)cc3C)cn2c1 ZINC000815576182 1131001107 /nfs/dbraw/zinc/00/11/07/1131001107.db2.gz LMJYRDLGMJSPMA-CQSZACIVSA-N 0 1 297.377 3.941 20 0 CHADMN C[C@@]1(F)CCN(Cc2cccc3ccoc32)C[C@H]1F ZINC001236731167 1131001176 /nfs/dbraw/zinc/00/11/76/1131001176.db2.gz XDUZRUFICLKMGV-UKRRQHHQSA-N 0 1 265.303 3.705 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1cn2c(cccc2C)n1 ZINC000815578105 1131001200 /nfs/dbraw/zinc/00/12/00/1131001200.db2.gz HOUIVHFEDVXIQK-CQSZACIVSA-N 0 1 297.377 3.941 20 0 CHADMN FC1(F)CSC2(CN(Cc3cccc4occc43)C2)C1 ZINC001236737630 1131002675 /nfs/dbraw/zinc/00/26/75/1131002675.db2.gz HRWWWORXKVFLEK-UHFFFAOYSA-N 0 1 295.354 3.759 20 0 CHADMN CC[N@@H+](Cc1cccnc1)Cc1cccc2ccoc21 ZINC001236737170 1131002783 /nfs/dbraw/zinc/00/27/83/1131002783.db2.gz HNVUGFYOOWTTOR-UHFFFAOYSA-N 0 1 266.344 3.850 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2CCC(C)(C)CC2)c1 ZINC001236772350 1131004322 /nfs/dbraw/zinc/00/43/22/1131004322.db2.gz PLBBKFSAXAIPTD-UHFFFAOYSA-N 0 1 295.810 3.749 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2[C@H](C)CCC[C@@H]2C)c1 ZINC001236761739 1131004517 /nfs/dbraw/zinc/00/45/17/1131004517.db2.gz AOVQKDQXYMHVTO-TXEJJXNPSA-N 0 1 295.810 3.890 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2CC3CCC2CC3)c1 ZINC001236776956 1131005062 /nfs/dbraw/zinc/00/50/62/1131005062.db2.gz YKBVLBDCHUPGML-UHFFFAOYSA-N 0 1 293.794 3.501 20 0 CHADMN C[C@@H](NCc1cccc(F)n1)c1cccc(C2CC2)c1 ZINC000815598259 1131006591 /nfs/dbraw/zinc/00/65/91/1131006591.db2.gz QEKZQPXHNXZRBH-GFCCVEGCSA-N 0 1 270.351 3.949 20 0 CHADMN Cc1cc(Br)sc1CN1CCC2(CC2)C1 ZINC001236824850 1131010176 /nfs/dbraw/zinc/01/01/76/1131010176.db2.gz SSJPOHBTKORGOX-UHFFFAOYSA-N 0 1 286.238 3.805 20 0 CHADMN CCc1noc(C)c1CN[C@H](C)c1ccc(F)cc1C ZINC000815641143 1131013662 /nfs/dbraw/zinc/01/36/62/1131013662.db2.gz QRQWORXWHCUCMR-LLVKDONJSA-N 0 1 276.355 3.844 20 0 CHADMN COc1cc(CN2CCC[C@](C)(F)CC2)c(F)cc1F ZINC001236818341 1131014981 /nfs/dbraw/zinc/01/49/81/1131014981.db2.gz SXWMFBNBGGQXPE-HNNXBMFYSA-N 0 1 287.325 3.688 20 0 CHADMN COc1cc(CN2CCC[C@H](C)CC2)c(F)cc1F ZINC001236816865 1131015288 /nfs/dbraw/zinc/01/52/88/1131015288.db2.gz IIWWEUYXUMADGI-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN Cc1cc(Br)sc1CN1CCC[C@@H]1C ZINC001236828446 1131015720 /nfs/dbraw/zinc/01/57/20/1131015720.db2.gz HHZDKVCRXNXJEU-VIFPVBQESA-N 0 1 274.227 3.803 20 0 CHADMN CCCCC1CCN(Cc2cncc(OCC)c2)CC1 ZINC001236837215 1131018405 /nfs/dbraw/zinc/01/84/05/1131018405.db2.gz FXZILRHELROQAJ-UHFFFAOYSA-N 0 1 276.424 3.883 20 0 CHADMN CCOc1cncc(CN(CC)Cc2ccc(F)cc2)c1 ZINC001236845931 1131021453 /nfs/dbraw/zinc/02/14/53/1131021453.db2.gz QKGRMZINDHMMBN-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN Cc1cccc(CN2C[C@@H](C)C[C@H]2CF)c1Cl ZINC001236851833 1131024228 /nfs/dbraw/zinc/02/42/28/1131024228.db2.gz NEBSQESKYAEOMP-GWCFXTLKSA-N 0 1 255.764 3.828 20 0 CHADMN Fc1ccc(CN2CCC(F)(F)CC2)c2occc21 ZINC001236892104 1131029698 /nfs/dbraw/zinc/02/96/98/1131029698.db2.gz ZQMXSPHEOJZKRH-UHFFFAOYSA-N 0 1 269.266 3.803 20 0 CHADMN Cc1cc(Br)c(CN2CCC[C@H](C)C2)cc1O ZINC001237294197 1131078880 /nfs/dbraw/zinc/07/88/80/1131078880.db2.gz HRJZPQALURJQSG-JTQLQIEISA-N 0 1 298.224 3.695 20 0 CHADMN CC(C)[C@@H]1COCCN1Cc1ccc(C2CCC2)cc1 ZINC001237111029 1131052290 /nfs/dbraw/zinc/05/22/90/1131052290.db2.gz RTHLIUROMROCHS-SFHVURJKSA-N 0 1 273.420 3.811 20 0 CHADMN COc1cccc2c(CN3CCCCC34CC4)ccnc12 ZINC001237112078 1131052750 /nfs/dbraw/zinc/05/27/50/1131052750.db2.gz MTUZHFNUUIXONA-UHFFFAOYSA-N 0 1 282.387 3.762 20 0 CHADMN CCN(Cc1sc(=O)[nH]c1Cl)Cc1ccccc1 ZINC001237161981 1131062535 /nfs/dbraw/zinc/06/25/35/1131062535.db2.gz RURJQSOQMSBWDQ-UHFFFAOYSA-N 0 1 282.796 3.524 20 0 CHADMN Cc1c(F)c(F)ccc1CN(C)Cc1ccsc1 ZINC001237160911 1131063010 /nfs/dbraw/zinc/06/30/10/1131063010.db2.gz HYFHIEKNQPKTPA-UHFFFAOYSA-N 0 1 267.344 3.967 20 0 CHADMN COc1cccc(CN2CC[C@@](C)(CF)C2)c1Cl ZINC001237185334 1131065943 /nfs/dbraw/zinc/06/59/43/1131065943.db2.gz MXLSJUMNZOFKHL-AWEZNQCLSA-N 0 1 271.763 3.530 20 0 CHADMN Fc1cccc(Cl)c1CN1CC[C@H](c2ccccn2)C1 ZINC000798965219 1131066505 /nfs/dbraw/zinc/06/65/05/1131066505.db2.gz QBOFMGRLOQWGHT-LBPRGKRZSA-N 0 1 290.769 3.864 20 0 CHADMN COc1cccc(CN2CCC(C)CC2)c1Cl ZINC001237186314 1131066788 /nfs/dbraw/zinc/06/67/88/1131066788.db2.gz WMFANKWPICTTHU-UHFFFAOYSA-N 0 1 253.773 3.581 20 0 CHADMN CN(Cc1cnc(Cl)cn1)[C@@H]1CCCc2ccccc21 ZINC000799105524 1131068974 /nfs/dbraw/zinc/06/89/74/1131068974.db2.gz AVSRKSCAAOFEMO-OAHLLOKOSA-N 0 1 287.794 3.639 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1Cc1cnc(Cl)cn1 ZINC000799125008 1131071044 /nfs/dbraw/zinc/07/10/44/1131071044.db2.gz YDMHLNYYTMTFAC-AAEUAGOBSA-N 0 1 267.804 3.531 20 0 CHADMN CSCCCN(C)Cn1c2ccccc2oc1=S ZINC000799160762 1131072470 /nfs/dbraw/zinc/07/24/70/1131072470.db2.gz WWDFZZVCZKUSLT-UHFFFAOYSA-N 0 1 282.434 3.606 20 0 CHADMN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1cnc(Cl)cn1 ZINC000799128700 1131073299 /nfs/dbraw/zinc/07/32/99/1131073299.db2.gz SBSLLUNSFXTJDH-IUODEOHRSA-N 0 1 287.794 3.508 20 0 CHADMN Cc1cc(CN2CCNC3=CCCC[C@@H]32)c(F)cc1Cl ZINC001237230376 1131073516 /nfs/dbraw/zinc/07/35/16/1131073516.db2.gz SCZCRWPPJFAZRE-INIZCTEOSA-N 0 1 294.801 3.629 20 0 CHADMN COc1nc(Cl)ccc1CN1CCCCC[C@@H]1C ZINC001237245693 1131075308 /nfs/dbraw/zinc/07/53/08/1131075308.db2.gz RUMVJSHJFRMBEC-NSHDSACASA-N 0 1 268.788 3.508 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CC[C@@H](c2ccccn2)C1 ZINC000799193178 1131075940 /nfs/dbraw/zinc/07/59/40/1131075940.db2.gz HHJOXOKCXVTVJG-QWHCGFSZSA-N 0 1 288.341 3.910 20 0 CHADMN COc1cc(CN2CCC(F)(F)CC2)ccc1C(F)F ZINC001237276664 1131076154 /nfs/dbraw/zinc/07/61/54/1131076154.db2.gz LIWFYDYHBHALPV-UHFFFAOYSA-N 0 1 291.288 3.864 20 0 CHADMN FC(F)(F)c1cnccc1CN1CCC2(CCCC2)C1 ZINC001237290697 1131078837 /nfs/dbraw/zinc/07/88/37/1131078837.db2.gz FMIPSTIYQZOIFJ-UHFFFAOYSA-N 0 1 284.325 3.867 20 0 CHADMN CCN(Cc1cccnc1)Cc1c(C)cc(F)cc1C ZINC001237323258 1131083255 /nfs/dbraw/zinc/08/32/55/1131083255.db2.gz TWMDEAQZRZFFIU-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN Cc1cc(F)cc(C)c1CN1CCOc2ccccc2C1 ZINC001237323448 1131083717 /nfs/dbraw/zinc/08/37/17/1131083717.db2.gz WAPRNJIHSBPETP-UHFFFAOYSA-N 0 1 285.362 3.837 20 0 CHADMN Cc1ccc(Cl)c(CN2C[C@@H]3C[C@@H]3C2)c1Cl ZINC001237329572 1131085558 /nfs/dbraw/zinc/08/55/58/1131085558.db2.gz AYBOOQKQKROXEX-AOOOYVTPSA-N 0 1 256.176 3.754 20 0 CHADMN CCc1cccc(C)c1CN1CCO[C@H](c2ccccn2)C1 ZINC001237329002 1131085815 /nfs/dbraw/zinc/08/58/15/1131085815.db2.gz GUUPOVNYKPHFLK-IBGZPJMESA-N 0 1 296.414 3.526 20 0 CHADMN CCc1cccc(C)c1C[N@@H+](C)C1CC(F)(F)C1 ZINC001237333523 1131086036 /nfs/dbraw/zinc/08/60/36/1131086036.db2.gz LWEUAUKTGSETGM-UHFFFAOYSA-N 0 1 253.336 3.787 20 0 CHADMN CCC[C@H]1CCCCN1Cc1cnccc1Br ZINC001237380467 1131092272 /nfs/dbraw/zinc/09/22/72/1131092272.db2.gz AVFRUYOOMDDIRV-ZDUSSCGKSA-N 0 1 297.240 3.999 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2ccc(F)c3cccnc23)C1 ZINC001237425911 1131096486 /nfs/dbraw/zinc/09/64/86/1131096486.db2.gz RPBZLXUUHZGAJL-AAEUAGOBSA-N 0 1 276.330 3.554 20 0 CHADMN COc1c(C)cccc1-c1cc(O)c(F)c(F)c1F ZINC001245639036 1131098286 /nfs/dbraw/zinc/09/82/86/1131098286.db2.gz NRPREIITDZDQEM-UHFFFAOYSA-N 0 1 268.234 3.794 20 0 CHADMN Cc1cc(N(C)C)ccc1-c1cc(O)c(F)c(F)c1F ZINC001245638954 1131099455 /nfs/dbraw/zinc/09/94/55/1131099455.db2.gz LRJBGYMQMXHIDH-UHFFFAOYSA-N 0 1 281.277 3.851 20 0 CHADMN CC(C)c1cccc(CN2CCC[C@@H]2c2cnccn2)c1 ZINC001237461765 1131101670 /nfs/dbraw/zinc/10/16/70/1131101670.db2.gz KCOGRTZEXCMHSZ-GOSISDBHSA-N 0 1 281.403 3.937 20 0 CHADMN Cc1nocc1CN1CCC(c2cccc(F)c2)CC1 ZINC000816509379 1131102146 /nfs/dbraw/zinc/10/21/46/1131102146.db2.gz ODXSPOCMZCMRLB-UHFFFAOYSA-N 0 1 274.339 3.502 20 0 CHADMN Oc1cccc(F)c1-c1ccnc(C2CCCC2)n1 ZINC001245653685 1131105966 /nfs/dbraw/zinc/10/59/66/1131105966.db2.gz KAMOVDQXCRXMQA-UHFFFAOYSA-N 0 1 258.296 3.646 20 0 CHADMN C[N@@H+](Cc1cc(Cl)nc(Cl)c1[O-])C1CCCCC1 ZINC001237527085 1131110410 /nfs/dbraw/zinc/11/04/10/1131110410.db2.gz VTZCFWVIZSMGIE-UHFFFAOYSA-N 0 1 289.206 3.859 20 0 CHADMN FC1(F)CCN(Cc2cccc(-c3ccccc3)n2)CC1 ZINC001237541795 1131112355 /nfs/dbraw/zinc/11/23/55/1131112355.db2.gz BSOWKFAZSJPARA-UHFFFAOYSA-N 0 1 288.341 3.980 20 0 CHADMN Cc1cc(CN2CC(C)(C)[C@@H]2C(C)C)cc(Cl)n1 ZINC000816624697 1131112499 /nfs/dbraw/zinc/11/24/99/1131112499.db2.gz DSNLMGZEXDOHFB-AWEZNQCLSA-N 0 1 266.816 3.910 20 0 CHADMN Fc1cccc([C@H]2CCCN2Cc2ccn3nccc3c2)c1 ZINC001237538685 1131113239 /nfs/dbraw/zinc/11/32/39/1131113239.db2.gz GYELWZKABKONSM-GOSISDBHSA-N 0 1 295.361 3.811 20 0 CHADMN Cc1ncc(CN2CCCCCCC2)cc1Br ZINC001237554088 1131115073 /nfs/dbraw/zinc/11/50/73/1131115073.db2.gz BVMATQKTDFMQCG-UHFFFAOYSA-N 0 1 297.240 3.919 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)N(Cc2cnn(C)c2Cl)C1 ZINC000816609664 1131115882 /nfs/dbraw/zinc/11/58/82/1131115882.db2.gz IPFPFPVSBMUBFS-SWLSCSKDSA-N 0 1 289.810 3.657 20 0 CHADMN CCn1cncc1CN1CCCC[C@H]1c1cccc(OC)c1 ZINC001237591482 1131118078 /nfs/dbraw/zinc/11/80/78/1131118078.db2.gz WQEBCQBUACZBIE-SFHVURJKSA-N 0 1 299.418 3.639 20 0 CHADMN CCCCOc1ccc(CN2C[C@@H](C)[C@H]2C)cc1OC ZINC000816648043 1131119223 /nfs/dbraw/zinc/11/92/23/1131119223.db2.gz CQWCNRTUCAXQOQ-ZIAGYGMSSA-N 0 1 277.408 3.714 20 0 CHADMN CCc1n[nH]cc1CN1CCC[C@@H]1c1ccccc1Cl ZINC001237650891 1131123770 /nfs/dbraw/zinc/12/37/70/1131123770.db2.gz KLECIOQHKIKBRQ-MRXNPFEDSA-N 0 1 289.810 3.963 20 0 CHADMN COc1ccc(C)c(C[N@@H+](C)Cc2ccc(Cl)nc2)c1 ZINC001237709280 1131130825 /nfs/dbraw/zinc/13/08/25/1131130825.db2.gz FUZSQPSDACUUTE-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN COc1ccc(C)c(CN(C)Cc2ccc(Cl)nc2)c1 ZINC001237709280 1131130827 /nfs/dbraw/zinc/13/08/27/1131130827.db2.gz FUZSQPSDACUUTE-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN COc1ccc(C)c(C[N@H+]2CCc3c(F)cccc3C2)c1 ZINC001237709374 1131131021 /nfs/dbraw/zinc/13/10/21/1131131021.db2.gz HMNKVUVJPLVSNE-UHFFFAOYSA-N 0 1 285.362 3.701 20 0 CHADMN COc1ccc(C)c(CN2CCc3c(F)cccc3C2)c1 ZINC001237709374 1131131023 /nfs/dbraw/zinc/13/10/23/1131131023.db2.gz HMNKVUVJPLVSNE-UHFFFAOYSA-N 0 1 285.362 3.701 20 0 CHADMN CCCCCC[C@@H](C)NC(=O)c1cc2[nH]cnc2cc1F ZINC000816843139 1131131113 /nfs/dbraw/zinc/13/11/13/1131131113.db2.gz PWOOBJUMXOZWRW-LLVKDONJSA-N 0 1 291.370 3.791 20 0 CHADMN Cc1cc(C)c(Cl)c(CN2CC3(C2)CCOCC3)c1 ZINC001237703391 1131131243 /nfs/dbraw/zinc/13/12/43/1131131243.db2.gz CPINQKPGXMJKDP-UHFFFAOYSA-N 0 1 279.811 3.569 20 0 CHADMN Cc1ccc(F)c(CN2CCC3(CCCO3)CC2)c1Cl ZINC001138027799 1131131874 /nfs/dbraw/zinc/13/18/74/1131131874.db2.gz JPUSJNRAVDFGKG-UHFFFAOYSA-N 0 1 297.801 3.933 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)[C@H](F)C2)ccc1OC(C)C ZINC001237723311 1131134198 /nfs/dbraw/zinc/13/41/98/1131134198.db2.gz UWRYADXPOOQHKZ-CZUORRHYSA-N 0 1 279.399 3.962 20 0 CHADMN FC(F)COc1ccc(Nc2cccc3[nH]ncc32)cc1 ZINC001159575013 1131134637 /nfs/dbraw/zinc/13/46/37/1131134637.db2.gz RSCPDXCKKSJISN-UHFFFAOYSA-N 0 1 289.285 3.950 20 0 CHADMN CC1(C)CN(C(=O)c2cnc(C3CC3)[nH]2)[C@@H]1c1ccccc1 ZINC001116254676 1131136530 /nfs/dbraw/zinc/13/65/30/1131136530.db2.gz CGYOFDWOTLNBQY-OAHLLOKOSA-N 0 1 295.386 3.510 20 0 CHADMN Cc1ccc2nc(NC(=O)C(F)=C3CCCC3)[nH]c2c1 ZINC000817018342 1131136506 /nfs/dbraw/zinc/13/65/06/1131136506.db2.gz ZBQCIRDHIJUGTH-UHFFFAOYSA-N 0 1 273.311 3.607 20 0 CHADMN Cc1nnc(SCC[C@H]2C[C@H](C)C[C@H](C)C2)[nH]1 ZINC001116248902 1131136808 /nfs/dbraw/zinc/13/68/08/1131136808.db2.gz YNAZUGGYFAQSLW-IAZYJMLFSA-N 0 1 253.415 3.668 20 0 CHADMN Cc1ccc2nc(NC(=O)C=Cc3ccccc3)[nH]c2c1 ZINC000817017839 1131136754 /nfs/dbraw/zinc/13/67/54/1131136754.db2.gz DYAVQMRERLXUAE-CSKARUKUSA-N 0 1 277.327 3.523 20 0 CHADMN CC/C(C)=C(/C)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000817018055 1131137039 /nfs/dbraw/zinc/13/70/39/1131137039.db2.gz MNWOANBFJMUSOZ-KHPPLWFESA-N 0 1 257.337 3.556 20 0 CHADMN CCN(Cc1ccccc1)Cc1ccc(F)c(C)n1 ZINC001237814339 1131142224 /nfs/dbraw/zinc/14/22/24/1131142224.db2.gz PKVWZEIEMITSDR-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN Cc1nc(CN2CCC[C@H]2c2ccccc2)ccc1F ZINC001237815955 1131142311 /nfs/dbraw/zinc/14/23/11/1131142311.db2.gz DRGSCZCIZUOXMW-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1nc(CN2CCC(C(C)(C)C)CC2)ccc1F ZINC001237814605 1131143114 /nfs/dbraw/zinc/14/31/14/1131143114.db2.gz RDQAOSNSIOWAOK-UHFFFAOYSA-N 0 1 264.388 3.787 20 0 CHADMN CN(Cc1cccs1)Cc1cccc(-c2ccccn2)n1 ZINC001237831519 1131145172 /nfs/dbraw/zinc/14/51/72/1131145172.db2.gz HWXQSKMNKVUEPT-UHFFFAOYSA-N 0 1 295.411 3.837 20 0 CHADMN COc1ccoc1CN1CCC[C@H]1c1cccc(C)c1 ZINC001237862460 1131145537 /nfs/dbraw/zinc/14/55/37/1131145537.db2.gz BRSLGIYMGLYGDI-HNNXBMFYSA-N 0 1 271.360 3.934 20 0 CHADMN COc1ccoc1CN1CCC[C@@H]1c1ccc(C)cc1 ZINC001237870928 1131146739 /nfs/dbraw/zinc/14/67/39/1131146739.db2.gz IFUJELHWEAIFLN-OAHLLOKOSA-N 0 1 271.360 3.934 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@](C)(CCc3ccccc3)C2)n[nH]1 ZINC001116446151 1131146987 /nfs/dbraw/zinc/14/69/87/1131146987.db2.gz YLJFXNPXYBUPPG-SFHVURJKSA-N 0 1 283.419 3.563 20 0 CHADMN COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CCCCC[C@H]1C ZINC001237874976 1131147050 /nfs/dbraw/zinc/14/70/50/1131147050.db2.gz IUPKMFVPBCWRNE-CYBMUJFWSA-N 0 1 287.407 3.783 20 0 CHADMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1occc1OC ZINC001237876559 1131147234 /nfs/dbraw/zinc/14/72/34/1131147234.db2.gz OYJXYHWEIOHENR-OAHLLOKOSA-N 0 1 271.360 3.798 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1occc1OC ZINC001237876559 1131147235 /nfs/dbraw/zinc/14/72/35/1131147235.db2.gz OYJXYHWEIOHENR-OAHLLOKOSA-N 0 1 271.360 3.798 20 0 CHADMN COc1ccoc1CN(C)CCc1ccc(Cl)cc1 ZINC001237873180 1131147715 /nfs/dbraw/zinc/14/77/15/1131147715.db2.gz DHROFQAGXRTFBN-UHFFFAOYSA-N 0 1 279.767 3.616 20 0 CHADMN Cc1cc(CNCc2cccc(-c3cccc(C)c3)c2)[nH]n1 ZINC001116475178 1131149211 /nfs/dbraw/zinc/14/92/11/1131149211.db2.gz WCYPVWXIMIFUKO-UHFFFAOYSA-N 0 1 291.398 3.983 20 0 CHADMN CCCOc1cc(F)ccc1CN1CC[C@H](OC)C[C@H]1C ZINC001237913414 1131151496 /nfs/dbraw/zinc/15/14/96/1131151496.db2.gz IPQAEYSGTLPVPF-CJNGLKHVSA-N 0 1 295.398 3.614 20 0 CHADMN CCN(C(=O)c1ccc2cncn2c1C)[C@@H]1CCCC[C@@H]1C ZINC001116538399 1131153748 /nfs/dbraw/zinc/15/37/48/1131153748.db2.gz LYOHIRNIJPCGKL-SUMWQHHRSA-N 0 1 299.418 3.684 20 0 CHADMN CC(C)N(Cc1cnc(C(F)(F)F)s1)C(C)C ZINC001237947269 1131155652 /nfs/dbraw/zinc/15/56/52/1131155652.db2.gz NGVJIYKRNIYQIK-UHFFFAOYSA-N 0 1 266.332 3.781 20 0 CHADMN Oc1ccc(-c2nc(CN3CCCCCC3)cs2)cc1 ZINC001237977471 1131156217 /nfs/dbraw/zinc/15/62/17/1131156217.db2.gz IHEZRGFYSSDKPG-UHFFFAOYSA-N 0 1 288.416 3.892 20 0 CHADMN CCCCC[C@@H](C)Cc1nc([C@H]2CN3CCC2CC3)no1 ZINC001116610258 1131157264 /nfs/dbraw/zinc/15/72/64/1131157264.db2.gz RXUWWQLRZIBJJX-HIFRSBDPSA-N 0 1 291.439 3.638 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)NOCCC1CC1)c1ccccc1 ZINC000817399254 1131157739 /nfs/dbraw/zinc/15/77/39/1131157739.db2.gz IIEWUUDTMVZPBX-CZUORRHYSA-N 0 1 275.392 3.664 20 0 CHADMN Clc1ccc2c(c1)n[nH]c2CN1CCC[C@H]2CCC[C@H]21 ZINC001238000618 1131160573 /nfs/dbraw/zinc/16/05/73/1131160573.db2.gz LYQVHLVINCUJDI-BDJLRTHQSA-N 0 1 289.810 3.981 20 0 CHADMN COc1cccc2cc(CNCc3cc(C)nc(C)c3)oc21 ZINC000817410051 1131160860 /nfs/dbraw/zinc/16/08/60/1131160860.db2.gz IJLYAEVXZVFGCY-UHFFFAOYSA-N 0 1 296.370 3.743 20 0 CHADMN c1ccc(Oc2cnccn2)c(CN2CC3(C2)CCCC3)c1 ZINC001238010635 1131161256 /nfs/dbraw/zinc/16/12/56/1131161256.db2.gz GHTQDLNGWYYMTL-UHFFFAOYSA-N 0 1 295.386 3.645 20 0 CHADMN CO[C@H]1CCN(Cc2c(F)ccc(C)c2Cl)[C@H](C)C1 ZINC001138030434 1131164406 /nfs/dbraw/zinc/16/44/06/1131164406.db2.gz FZMBLLHPTCGSSF-NEPJUHHUSA-N 0 1 285.790 3.787 20 0 CHADMN CC(C)(C)SCCNCc1nc(-c2ccccc2)c[nH]1 ZINC001116824650 1131165687 /nfs/dbraw/zinc/16/56/87/1131165687.db2.gz CJFNOCRKKTTYDH-UHFFFAOYSA-N 0 1 289.448 3.698 20 0 CHADMN CCO[C@@H](C)c1noc(CNC(C)(C)C2CCCCC2)n1 ZINC001116823065 1131165948 /nfs/dbraw/zinc/16/59/48/1131165948.db2.gz XNLZGTJZGJCWFO-LBPRGKRZSA-N 0 1 295.427 3.616 20 0 CHADMN CC[C@@H](C)[N@@H+](C)Cc1cc(F)cc(Br)c1F ZINC001238072007 1131167626 /nfs/dbraw/zinc/16/76/26/1131167626.db2.gz VZUVAGZXEQXTIA-MRVPVSSYSA-N 0 1 292.167 3.958 20 0 CHADMN CC[C@@H](C)N(C)Cc1cc(F)cc(Br)c1F ZINC001238072007 1131167632 /nfs/dbraw/zinc/16/76/32/1131167632.db2.gz VZUVAGZXEQXTIA-MRVPVSSYSA-N 0 1 292.167 3.958 20 0 CHADMN C[C@@H](c1ccco1)N(C)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001116875359 1131168795 /nfs/dbraw/zinc/16/87/95/1131168795.db2.gz GFFPEQVXFQJHEV-AWEZNQCLSA-N 0 1 295.386 3.873 20 0 CHADMN CC(C)c1nc(CNC[C@H](CO)CC2CCCC2)cs1 ZINC001116914249 1131170100 /nfs/dbraw/zinc/17/01/00/1131170100.db2.gz UTQHPNHGJKGGDM-CQSZACIVSA-N 0 1 296.480 3.545 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1cc(O)ccc1C ZINC001238106279 1131172416 /nfs/dbraw/zinc/17/24/16/1131172416.db2.gz INWRIUSLDTTWGZ-AWEZNQCLSA-N 0 1 285.387 3.902 20 0 CHADMN COc1cnc(F)c(CN2CC[C@H](C3CCCCC3)C2)c1 ZINC001238124129 1131172581 /nfs/dbraw/zinc/17/25/81/1131172581.db2.gz UCGMSEFQWRAQLS-AWEZNQCLSA-N 0 1 292.398 3.632 20 0 CHADMN Cc1ncccc1CN(C)Cc1cc(Cl)c(O)cc1F ZINC001238153695 1131175734 /nfs/dbraw/zinc/17/57/34/1131175734.db2.gz FGQLUYZHYQGYQX-UHFFFAOYSA-N 0 1 294.757 3.520 20 0 CHADMN CN(Cc1c(N)ccnc1F)C1CCC(C(C)(C)C)CC1 ZINC001238161693 1131177042 /nfs/dbraw/zinc/17/70/42/1131177042.db2.gz KMFFYBUHCUBRMT-UHFFFAOYSA-N 0 1 293.430 3.840 20 0 CHADMN c1ccc(O[C@H]2CCN(Cc3cncc(C4CC4)c3)C2)cc1 ZINC001238183979 1131178052 /nfs/dbraw/zinc/17/80/52/1131178052.db2.gz GSUXERFTEMKBQH-IBGZPJMESA-N 0 1 294.398 3.612 20 0 CHADMN Cc1ccccc1CN(C)Cc1cncc(C2CC2)c1 ZINC001238183537 1131178392 /nfs/dbraw/zinc/17/83/92/1131178392.db2.gz DSENFMUJZUJNQJ-UHFFFAOYSA-N 0 1 266.388 3.899 20 0 CHADMN CC(C)c1cc(CN2CC[C@@H](O)[C@H](C)C2)ccc1Cl ZINC001238220962 1131183303 /nfs/dbraw/zinc/18/33/03/1131183303.db2.gz XEOQOOKOVSXJKO-MLGOLLRUSA-N 0 1 281.827 3.666 20 0 CHADMN C[C@@H]1CCN1Cc1ccc(O)c(OCc2ccccc2)c1 ZINC001238250197 1131186923 /nfs/dbraw/zinc/18/69/23/1131186923.db2.gz QINMYZIDWIMVDA-CQSZACIVSA-N 0 1 283.371 3.565 20 0 CHADMN Cc1cc(CN2CCC[C@](C)(CO)CC2)c(F)cc1Cl ZINC001238300997 1131187986 /nfs/dbraw/zinc/18/79/86/1131187986.db2.gz VQNBFIJTEDKHBG-INIZCTEOSA-N 0 1 299.817 3.772 20 0 CHADMN FC(F)(F)[C@@H](Nc1ccnc2[nH]cnc21)c1ccccc1 ZINC001170883793 1131188475 /nfs/dbraw/zinc/18/84/75/1131188475.db2.gz PNDKWEVCTMINFR-LBPRGKRZSA-N 0 1 292.264 3.673 20 0 CHADMN COC1(C)CCN(Cc2cc(C)c(Cl)cc2F)CC1 ZINC001238300567 1131188517 /nfs/dbraw/zinc/18/85/17/1131188517.db2.gz SDSNJPCJFACIKP-UHFFFAOYSA-N 0 1 285.790 3.788 20 0 CHADMN Cc1cc(CN2CCC[C@](C)(O)[C@@H](C)C2)c(F)cc1Cl ZINC001238301008 1131188823 /nfs/dbraw/zinc/18/88/23/1131188823.db2.gz VTAGHGMLXMDBCP-LRDDRELGSA-N 0 1 299.817 3.770 20 0 CHADMN CCCN(CCOC)Cc1cc(C)c(Cl)cc1F ZINC001238305857 1131190018 /nfs/dbraw/zinc/19/00/18/1131190018.db2.gz POSLSWLBCQUITE-UHFFFAOYSA-N 0 1 273.779 3.646 20 0 CHADMN CCc1ccc([C@@H]2CCC[N@H+](Cc3cc(C)[nH]n3)C2)cc1 ZINC001117637084 1131190457 /nfs/dbraw/zinc/19/04/57/1131190457.db2.gz UWKYPXVCVLNQFY-QGZVFWFLSA-N 0 1 283.419 3.660 20 0 CHADMN CCC[C@H]1CCCCN1Cc1cc(OC)ncc1Cl ZINC001238357227 1131193077 /nfs/dbraw/zinc/19/30/77/1131193077.db2.gz GAXDLFVQFHMMSS-ZDUSSCGKSA-N 0 1 282.815 3.898 20 0 CHADMN CC[C@H]1CCCN1Cc1c(F)ccc(Cl)c1OC ZINC001238343536 1131193264 /nfs/dbraw/zinc/19/32/64/1131193264.db2.gz WDPQEBUDLIGMHQ-JTQLQIEISA-N 0 1 271.763 3.862 20 0 CHADMN CSC1CCN(Cc2cnc(OC(C)C)c(C)c2)CC1 ZINC001238389331 1131193860 /nfs/dbraw/zinc/19/38/60/1131193860.db2.gz HARDLMZEKFJXQP-UHFFFAOYSA-N 0 1 294.464 3.505 20 0 CHADMN Cc1cc(CN2CCC[C@@H](C)[C@H]2C)ncc1Cl ZINC001238419649 1131197184 /nfs/dbraw/zinc/19/71/84/1131197184.db2.gz ZRZYVBVDBURUPS-ZYHUDNBSSA-N 0 1 252.789 3.664 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@H](C)C2)ncc1Cl ZINC001238424031 1131197470 /nfs/dbraw/zinc/19/74/70/1131197470.db2.gz VBAOSTRXUHFFED-PHIMTYICSA-N 0 1 252.789 3.521 20 0 CHADMN CC(C)c1ncc(C(=O)N2CCC[C@@H](c3ccccc3)C2)[nH]1 ZINC001117762211 1131197669 /nfs/dbraw/zinc/19/76/69/1131197669.db2.gz QHOGFIWTTKAVFK-OAHLLOKOSA-N 0 1 297.402 3.553 20 0 CHADMN CO[C@@H]1CCCN(Cc2c(Cl)ccc(C)c2F)CC1 ZINC001138034622 1131199554 /nfs/dbraw/zinc/19/95/54/1131199554.db2.gz NCJFLIPTZDFJHD-GFCCVEGCSA-N 0 1 285.790 3.788 20 0 CHADMN CC(C)Oc1ccc(CN2CCC[C@@H](F)CC2)c(F)c1 ZINC001238443777 1131199943 /nfs/dbraw/zinc/19/99/43/1131199943.db2.gz HGKZLKDOXPZGIA-CQSZACIVSA-N 0 1 283.362 3.937 20 0 CHADMN COC[C@@H]1CCCCN1Cc1ccc(OC(C)C)cc1F ZINC001238444316 1131200083 /nfs/dbraw/zinc/20/00/83/1131200083.db2.gz LPDWVNAHCQLNCD-HNNXBMFYSA-N 0 1 295.398 3.614 20 0 CHADMN CO[C@H]1CCN(Cc2cccc(OC(C)C)c2F)[C@H](C)C1 ZINC001238435087 1131201144 /nfs/dbraw/zinc/20/11/44/1131201144.db2.gz QODULRCJULBKIE-HIFRSBDPSA-N 0 1 295.398 3.612 20 0 CHADMN CC(C)(C(=O)NOCC1CC1)c1cccc2ccccc21 ZINC001117805117 1131201556 /nfs/dbraw/zinc/20/15/56/1131201556.db2.gz SURPUZPOXZWJSG-UHFFFAOYSA-N 0 1 283.371 3.575 20 0 CHADMN CCCO[C@@H]1CCN(Cc2ccc(OC(C)C)cc2F)C1 ZINC001238448758 1131202063 /nfs/dbraw/zinc/20/20/63/1131202063.db2.gz VXTQQGLAMOMEDX-MRXNPFEDSA-N 0 1 295.398 3.614 20 0 CHADMN CCCO[C@@H]1CCN(Cc2ccc(F)c(OC(C)C)c2)C1 ZINC001238457109 1131203238 /nfs/dbraw/zinc/20/32/38/1131203238.db2.gz BHAOFVBEMSKAAW-OAHLLOKOSA-N 0 1 295.398 3.614 20 0 CHADMN CC(C)Oc1cc(CN2CCC[C@@H](CF)C2)ccc1F ZINC001238461434 1131203845 /nfs/dbraw/zinc/20/38/45/1131203845.db2.gz WGXUBZDAGVIEDP-AWEZNQCLSA-N 0 1 283.362 3.794 20 0 CHADMN Cc1ccc(CN(C)Cc2cncc(OC(C)C)c2)cc1 ZINC001238467730 1131206551 /nfs/dbraw/zinc/20/65/51/1131206551.db2.gz WUTDKZGWHSGPGP-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN COc1cnc(CN2CC[C@H]3CCCC[C@@H]3C2)c(Cl)c1 ZINC001238491098 1131209545 /nfs/dbraw/zinc/20/95/45/1131209545.db2.gz LWSLWUOYDACXMV-CHWSQXEVSA-N 0 1 294.826 3.756 20 0 CHADMN Cc1ccc(CN2CCC3(CC3)C2)c(Br)c1 ZINC001137804006 1131417810 /nfs/dbraw/zinc/41/78/10/1131417810.db2.gz HMNHKGUOXKAYFS-UHFFFAOYSA-N 0 1 280.209 3.743 20 0 CHADMN Fc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc1C1CC1 ZINC001238501087 1131210912 /nfs/dbraw/zinc/21/09/12/1131210912.db2.gz KPZILXSCECMVFS-HEHGZKQESA-N 0 1 263.331 3.635 20 0 CHADMN CCN(Cc1ccc(F)c(OC(C)C)c1F)C1CC1 ZINC001238528510 1131213777 /nfs/dbraw/zinc/21/37/77/1131213777.db2.gz UDDWLOIMMKRHHS-UHFFFAOYSA-N 0 1 269.335 3.736 20 0 CHADMN COc1cc(C)cc(F)c1CN(C)C[C@H]1CC1(C)C ZINC001238593529 1131219730 /nfs/dbraw/zinc/21/97/30/1131219730.db2.gz GEXBMAJGQKIGLV-GFCCVEGCSA-N 0 1 265.372 3.621 20 0 CHADMN COc1cc(C)cc(F)c1CN1CC2CCC1CC2 ZINC001238590464 1131219993 /nfs/dbraw/zinc/21/99/93/1131219993.db2.gz FTXGVKOUNXLPOC-UHFFFAOYSA-N 0 1 263.356 3.517 20 0 CHADMN COc1cc(CN2CCC[C@@H]3C[C@@H]32)c(-c2ccccc2)cn1 ZINC001238608761 1131222017 /nfs/dbraw/zinc/22/20/17/1131222017.db2.gz YNRAYDXWEZMQCE-QAPCUYQASA-N 0 1 294.398 3.742 20 0 CHADMN Cc1cnc(-c2ccccc2)c(CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC001238620348 1131224662 /nfs/dbraw/zinc/22/46/62/1131224662.db2.gz WJOWNABCOUTINA-HOTGVXAUSA-N 0 1 296.414 3.666 20 0 CHADMN CSc1cc(C)cc(CN(C)Cc2ccccn2)c1 ZINC001238675287 1131229692 /nfs/dbraw/zinc/22/96/92/1131229692.db2.gz LENWKIHKMQPGEZ-UHFFFAOYSA-N 0 1 272.417 3.744 20 0 CHADMN CCc1coc(CN[C@H]2CCc3c(Cl)cccc3C2)n1 ZINC001171011342 1131418922 /nfs/dbraw/zinc/41/89/22/1131418922.db2.gz CIDXUMBELNVTJZ-ZDUSSCGKSA-N 0 1 290.794 3.538 20 0 CHADMN C[C@H]1CCCN(Cc2scnc2Cl)C[C@H]1C ZINC001137817419 1131419174 /nfs/dbraw/zinc/41/91/74/1131419174.db2.gz SOIRXELKKKORSV-VHSXEESVSA-N 0 1 258.818 3.665 20 0 CHADMN Clc1ncsc1CN1CCC2(C1)CCCCC2 ZINC001137825946 1131419489 /nfs/dbraw/zinc/41/94/89/1131419489.db2.gz JSKKQELTMBUEHO-UHFFFAOYSA-N 0 1 270.829 3.953 20 0 CHADMN C[C@H]1CCN[C@@H](c2nc(-c3ccc(Cl)cc3F)no2)C1 ZINC000823247812 1131420450 /nfs/dbraw/zinc/42/04/50/1131420450.db2.gz KEIQULLTGWWEEF-QPUJVOFHSA-N 0 1 295.745 3.590 20 0 CHADMN C[C@@H](C1CC1)N(Cc1ccnc(Cl)c1F)C1CC1 ZINC000823404046 1131425741 /nfs/dbraw/zinc/42/57/41/1131425741.db2.gz KKGYQQXRBFZOKH-VIFPVBQESA-N 0 1 268.763 3.637 20 0 CHADMN Fc1c(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)ccnc1Cl ZINC000823419042 1131428198 /nfs/dbraw/zinc/42/81/98/1131428198.db2.gz PAIFEEQHLWGBKU-KCXRBIIJSA-N 0 1 294.801 3.885 20 0 CHADMN CC[C@H](Cc1ccccc1)N(C)Cc1cc(F)ncc1F ZINC000823464868 1131428409 /nfs/dbraw/zinc/42/84/09/1131428409.db2.gz NMIUBSJOXJZPLC-OAHLLOKOSA-N 0 1 290.357 3.813 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1ccnc(Cl)c1F ZINC000823484269 1131429100 /nfs/dbraw/zinc/42/91/00/1131429100.db2.gz VFMKPOXBGGXYQG-SNVBAGLBSA-N 0 1 290.835 3.838 20 0 CHADMN C[C@H](NCc1cc(C2CC2)nn1C)c1cccc(Cl)c1 ZINC000823584973 1131432623 /nfs/dbraw/zinc/43/26/23/1131432623.db2.gz PUYJVEKEAWACBH-NSHDSACASA-N 0 1 289.810 3.802 20 0 CHADMN CC[C@@H](NCc1cc(F)ncc1F)c1ccc(C)cc1 ZINC000823590672 1131435482 /nfs/dbraw/zinc/43/54/82/1131435482.db2.gz BHELLKLJBIMZOX-OAHLLOKOSA-N 0 1 276.330 3.909 20 0 CHADMN Cc1ccc(CNCc2ccnc(Cl)c2F)c(C)c1 ZINC000823671689 1131437112 /nfs/dbraw/zinc/43/71/12/1131437112.db2.gz SHMYFTKPBOZFNW-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN CN(Cc1c(F)ccc(F)c1F)CC1CCCC1 ZINC001137932466 1131437972 /nfs/dbraw/zinc/43/79/72/1131437972.db2.gz YXFFTRBQGBNDEM-UHFFFAOYSA-N 0 1 257.299 3.726 20 0 CHADMN C[C@@H]1CCCCN(Cc2ccc(F)c(F)c2F)C1 ZINC001137934549 1131438239 /nfs/dbraw/zinc/43/82/39/1131438239.db2.gz BWECFLRUDPVJRH-SNVBAGLBSA-N 0 1 257.299 3.726 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1cc(C2CC2)nn1C ZINC000823737374 1131439198 /nfs/dbraw/zinc/43/91/98/1131439198.db2.gz XVKVQZYABRQTTO-CYBMUJFWSA-N 0 1 299.418 3.547 20 0 CHADMN CC1(C)CN(CCC(=O)C2CC2)[C@H]1c1cccs1 ZINC000805840068 1131442619 /nfs/dbraw/zinc/44/26/19/1131442619.db2.gz WQCIVRCGRGASFD-AWEZNQCLSA-N 0 1 263.406 3.500 20 0 CHADMN Cc1ccc(CN2CC3CCC2CC3)c(F)c1F ZINC001137970135 1131444317 /nfs/dbraw/zinc/44/43/17/1131444317.db2.gz WZWBPNGQCZYNFE-UHFFFAOYSA-N 0 1 251.320 3.648 20 0 CHADMN Cc1ccc(CN2CC[C@@H](c3ccncc3)C2)c(F)c1F ZINC001137968537 1131444619 /nfs/dbraw/zinc/44/46/19/1131444619.db2.gz JJGGULUURJJXSJ-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN C[C@@H]1C[C@H](F)CN1[C@H]1CCc2c(Cl)cccc2C1 ZINC001171037819 1131447171 /nfs/dbraw/zinc/44/71/71/1131447171.db2.gz QMLRRNZLYLYNSK-WXHSDQCUSA-N 0 1 267.775 3.630 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3cccc(C(F)(F)F)c3F)C[C@@H]21 ZINC001138010861 1131449609 /nfs/dbraw/zinc/44/96/09/1131449609.db2.gz HXLPHYYMHGRNEL-TXEJJXNPSA-N 0 1 287.300 3.932 20 0 CHADMN Cc1ccc(CN(C)Cc2cnccn2)c2ccccc12 ZINC001138016222 1131451971 /nfs/dbraw/zinc/45/19/71/1131451971.db2.gz BGNJEBGMVXSWOS-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc(C)nc2)c2ccccc12 ZINC001138018237 1131452112 /nfs/dbraw/zinc/45/21/12/1131452112.db2.gz PHIKWBCEPXAUJF-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN Cc1ccc(CN2CCOCC2(C)C)c2ccccc12 ZINC001138016469 1131452216 /nfs/dbraw/zinc/45/22/16/1131452216.db2.gz IGVOXVWGEGXMBA-UHFFFAOYSA-N 0 1 269.388 3.759 20 0 CHADMN Clc1ccc2c(n1)[C@H](NCc1ccsc1)CC2 ZINC000787761927 1131452610 /nfs/dbraw/zinc/45/26/10/1131452610.db2.gz SSRCFGDVIDYJBY-LLVKDONJSA-N 0 1 264.781 3.574 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@]3(C2)CCCOC3)c1Cl ZINC001138028972 1131454158 /nfs/dbraw/zinc/45/41/58/1131454158.db2.gz AQEYMBIXXWNRBH-INIZCTEOSA-N 0 1 297.801 3.790 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC[C@@H](CF)C2)c1F ZINC001138034519 1131456089 /nfs/dbraw/zinc/45/60/89/1131456089.db2.gz IPQKZOUJERTPFQ-NSHDSACASA-N 0 1 273.754 3.969 20 0 CHADMN CC(C)[C@@H]1COCCN1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171049867 1131458625 /nfs/dbraw/zinc/45/86/25/1131458625.db2.gz NPLSQDQQMLCXSY-PBHICJAKSA-N 0 1 293.838 3.554 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc2c(c1)C(C)(C)CCN2 ZINC001160332415 1131459171 /nfs/dbraw/zinc/45/91/71/1131459171.db2.gz NXXLGPGTHFZYBF-UHFFFAOYSA-N 0 1 282.391 3.809 20 0 CHADMN CCCN(C)Cc1cc(Br)c(F)cc1F ZINC001136849348 1131462618 /nfs/dbraw/zinc/46/26/18/1131462618.db2.gz IAKTXXLUEUPLKW-UHFFFAOYSA-N 0 1 278.140 3.569 20 0 CHADMN CO[C@@H]1CCN(Cc2cc3c(cccc3Cl)[nH]2)[C@@H](C)C1 ZINC001136864869 1131465566 /nfs/dbraw/zinc/46/55/66/1131465566.db2.gz LCGUNCBIKDZTJM-WCQYABFASA-N 0 1 292.810 3.821 20 0 CHADMN Fc1cc(CN2CCC[C@H](c3ccccc3)C2)c(F)cn1 ZINC000824432808 1131468338 /nfs/dbraw/zinc/46/83/38/1131468338.db2.gz CRLWBNKMHQNMCF-AWEZNQCLSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1ccc(F)c(CN2CCCCC23CC3)c1F ZINC001138119400 1131469211 /nfs/dbraw/zinc/46/92/11/1131469211.db2.gz AWFGKDNUPFYUKM-UHFFFAOYSA-N 0 1 251.320 3.792 20 0 CHADMN CCCCC1CCN(Cc2cn3ccccc3n2)CC1 ZINC001136877082 1131469732 /nfs/dbraw/zinc/46/97/32/1131469732.db2.gz OLNRCXHIROQHFV-UHFFFAOYSA-N 0 1 271.408 3.737 20 0 CHADMN c1c(CN(Cc2ccccc2)C2CCC2)nc2ccccn12 ZINC001136883031 1131470226 /nfs/dbraw/zinc/47/02/26/1131470226.db2.gz USEFCCVJKRBXOZ-UHFFFAOYSA-N 0 1 291.398 3.889 20 0 CHADMN CCCCOc1ccc(-c2nccc(N)c2C)c(F)c1 ZINC001206105078 1131471155 /nfs/dbraw/zinc/47/11/55/1131471155.db2.gz BUORTDVGHVFAAE-UHFFFAOYSA-N 0 1 274.339 3.957 20 0 CHADMN CCc1ccc(CN(C)Cc2cnc3cc(C)ccn23)cc1 ZINC001136891283 1131472416 /nfs/dbraw/zinc/47/24/16/1131472416.db2.gz NBJFNMCNSHWAAQ-UHFFFAOYSA-N 0 1 293.414 3.837 20 0 CHADMN Fc1cc(F)c2c(c1)[C@@H](NCc1ccoc1)CCC2 ZINC000824468714 1131472511 /nfs/dbraw/zinc/47/25/11/1131472511.db2.gz LZBQHHWGCYWEPB-HNNXBMFYSA-N 0 1 263.287 3.725 20 0 CHADMN Clc1nccc(CNCC2=CCCCC2)c1Cl ZINC000824539201 1131475554 /nfs/dbraw/zinc/47/55/54/1131475554.db2.gz YXGWCUJSUNBMMN-UHFFFAOYSA-N 0 1 271.191 3.978 20 0 CHADMN C[C@H]1CCN(Cc2cc3c(cc2Cl)OCO3)[C@@H](C)C1 ZINC001138244985 1131481770 /nfs/dbraw/zinc/48/17/70/1131481770.db2.gz OSCXDBZCXQXVNY-QWRGUYRKSA-N 0 1 281.783 3.689 20 0 CHADMN C[C@@]1(F)CCCN(Cc2ccc(OCC(F)F)cc2)C1 ZINC001136935618 1131484304 /nfs/dbraw/zinc/48/43/04/1131484304.db2.gz LNPKLOMUNMEQNY-OAHLLOKOSA-N 0 1 287.325 3.655 20 0 CHADMN CN(Cc1ccccc1Cl)Cc1cccc2nccnc12 ZINC001138303250 1131487484 /nfs/dbraw/zinc/48/74/84/1131487484.db2.gz QNPHFXBUHVBAJZ-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN FC1(F)CC[C@@H]2CN(Cc3nc4ccccc4s3)C[C@@H]21 ZINC001136948407 1131487622 /nfs/dbraw/zinc/48/76/22/1131487622.db2.gz AYFIBWUOGVDODJ-MNOVXSKESA-N 0 1 294.370 3.773 20 0 CHADMN Cc1ccc2c(CN3CC4(C3)CC(F)(F)C4)c[nH]c2c1 ZINC001136969192 1131488439 /nfs/dbraw/zinc/48/84/39/1131488439.db2.gz HGBXWBOSNDMTDB-UHFFFAOYSA-N 0 1 276.330 3.707 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cc(O)cc(O)c1 ZINC001138331235 1131492216 /nfs/dbraw/zinc/49/22/16/1131492216.db2.gz RMAWVDQUZUEIDE-SFHVURJKSA-N 0 1 283.371 3.607 20 0 CHADMN CCc1cccc2c(CN3CCOC[C@@H]3C(C)C)c[nH]c21 ZINC001138364803 1131495253 /nfs/dbraw/zinc/49/52/53/1131495253.db2.gz VOHRFMQQZSCKSB-QGZVFWFLSA-N 0 1 286.419 3.587 20 0 CHADMN CCc1nc(CN[C@H](C)CCc2ccc(F)cc2F)co1 ZINC000825061885 1131496920 /nfs/dbraw/zinc/49/69/20/1131496920.db2.gz LPSVXCSWRQORKR-LLVKDONJSA-N 0 1 294.345 3.626 20 0 CHADMN Cn1c2ccccc2nc1CN1CC[C@H]2CCCC[C@@H]2C1 ZINC001138381283 1131497050 /nfs/dbraw/zinc/49/70/50/1131497050.db2.gz URKKOMWKCBOAGP-HUUCEWRRSA-N 0 1 283.419 3.585 20 0 CHADMN Cc1cc(C)cc([C@@H]2CCC[N@@H+]2Cc2ncccc2[O-])c1 ZINC001138396485 1131498428 /nfs/dbraw/zinc/49/84/28/1131498428.db2.gz NSNWADKRIMNVNX-KRWDZBQOSA-N 0 1 282.387 3.741 20 0 CHADMN Cc1cc(C)cc([C@@H]2CCC[N@H+]2Cc2ncccc2[O-])c1 ZINC001138396485 1131498430 /nfs/dbraw/zinc/49/84/30/1131498430.db2.gz NSNWADKRIMNVNX-KRWDZBQOSA-N 0 1 282.387 3.741 20 0 CHADMN Cc1c2ccccc2[nH]c1CN1CCC[C@](C)(F)C1 ZINC001138397408 1131498710 /nfs/dbraw/zinc/49/87/10/1131498710.db2.gz QWMVLMVFLRYJJN-INIZCTEOSA-N 0 1 260.356 3.800 20 0 CHADMN CN(Cc1cncc(Cl)c1)Cc1cccc2cccnc21 ZINC001136995630 1131501372 /nfs/dbraw/zinc/50/13/72/1131501372.db2.gz WLPUZOUALNUKAZ-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN Cc1cc(CN2CCC[C@]3(CCSC3)C2)cc(Cl)n1 ZINC000825215805 1131502424 /nfs/dbraw/zinc/50/24/24/1131502424.db2.gz WWMMBYSGAAWMCS-HNNXBMFYSA-N 0 1 296.867 3.763 20 0 CHADMN COc1c(F)cc(CN2CCC[C@H]3CCC[C@@H]32)cc1F ZINC001138425515 1131504078 /nfs/dbraw/zinc/50/40/78/1131504078.db2.gz WDWFOILSNOLBBW-DOMZBBRYSA-N 0 1 281.346 3.738 20 0 CHADMN C[C@H]1CN(Cc2ncc(C(F)(F)F)[nH]2)Cc2ccccc21 ZINC001137010322 1131504765 /nfs/dbraw/zinc/50/47/65/1131504765.db2.gz NMFMPZALROIOFN-JTQLQIEISA-N 0 1 295.308 3.548 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN(C)C2CC(F)(F)C2)cc1 ZINC001138447182 1131506784 /nfs/dbraw/zinc/50/67/84/1131506784.db2.gz QYQHKNHDXDRJQB-UHFFFAOYSA-N 0 1 291.345 3.615 20 0 CHADMN CCCCC1CCN(Cc2ncc(C(F)(F)F)[nH]2)CC1 ZINC001137012158 1131506910 /nfs/dbraw/zinc/50/69/10/1131506910.db2.gz SPRUJHWPKIPECQ-UHFFFAOYSA-N 0 1 289.345 3.831 20 0 CHADMN COc1cccc(Nc2ccc3[nH]c(C)nc3c2)c1OC ZINC001213073591 1131509478 /nfs/dbraw/zinc/50/94/78/1131509478.db2.gz RZUTWZYMMAFDPV-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN CC(C)[C@@H]1CCC[C@@H](NC(=O)c2n[nH]c3ccccc32)CC1 ZINC001138506721 1131513492 /nfs/dbraw/zinc/51/34/92/1131513492.db2.gz ADXRVRQYUNKURA-ZIAGYGMSSA-N 0 1 299.418 3.898 20 0 CHADMN COc1ccc(-c2ccc(CN3CCO[C@@H](C)C3)cc2)cc1 ZINC001138515317 1131515701 /nfs/dbraw/zinc/51/57/01/1131515701.db2.gz OKYAENGSKLOLKJ-HNNXBMFYSA-N 0 1 297.398 3.583 20 0 CHADMN c1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001138532842 1131517766 /nfs/dbraw/zinc/51/77/66/1131517766.db2.gz WFBYCMMODRQRBT-HIFRSBDPSA-N 0 1 270.401 3.794 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2c[nH]nc2C(C)(C)C)cn1 ZINC001138580011 1131523133 /nfs/dbraw/zinc/52/31/33/1131523133.db2.gz IPFYAYCJOXWETR-MRXNPFEDSA-N 0 1 298.434 3.748 20 0 CHADMN Cc1ccc(C(F)(F)F)c(CN2CC[C@]3(CCCO3)C2)c1 ZINC001143672856 1131523616 /nfs/dbraw/zinc/52/36/16/1131523616.db2.gz STUGBGNMFDTEAA-OAHLLOKOSA-N 0 1 299.336 3.769 20 0 CHADMN CC(=O)[C@@H]1CCCN(Cc2cc(C)ccc2C(F)(F)F)C1 ZINC001143680854 1131523864 /nfs/dbraw/zinc/52/38/64/1131523864.db2.gz LOUFVZFWJFGBSG-CYBMUJFWSA-N 0 1 299.336 3.815 20 0 CHADMN CCOc1c(F)cc(CN2C[C@@H]3[C@H](C2)C3(C)C)cc1Cl ZINC001143744944 1131528735 /nfs/dbraw/zinc/52/87/35/1131528735.db2.gz DTCLPVRNHIZFTK-TXEJJXNPSA-N 0 1 297.801 3.966 20 0 CHADMN Cc1c(F)cc(F)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001143761553 1131529869 /nfs/dbraw/zinc/52/98/69/1131529869.db2.gz MKYVNEKZNFGCOO-TXEJJXNPSA-N 0 1 287.300 3.750 20 0 CHADMN Cc1c(F)cc(F)cc1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001143761553 1131529871 /nfs/dbraw/zinc/52/98/71/1131529871.db2.gz MKYVNEKZNFGCOO-TXEJJXNPSA-N 0 1 287.300 3.750 20 0 CHADMN Fc1cc(OC(F)(F)F)ccc1CN1CCC2(CC2)C1 ZINC001143781067 1131533164 /nfs/dbraw/zinc/53/31/64/1131533164.db2.gz JQQUZBQWNIXOOK-UHFFFAOYSA-N 0 1 289.272 3.710 20 0 CHADMN FC1(F)CCC[C@@H]1N[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171105555 1131533677 /nfs/dbraw/zinc/53/36/77/1131533677.db2.gz VCHVXSWLGKEIIG-KGLIPLIRSA-N 0 1 285.765 3.975 20 0 CHADMN CCc1c(NC(=O)/C=C\C(C)(C)C)[nH]nc1-c1ccncc1 ZINC001143792832 1131534229 /nfs/dbraw/zinc/53/42/29/1131534229.db2.gz MCBVYLRFWUNRJH-TWGQIWQCSA-N 0 1 298.390 3.575 20 0 CHADMN Fc1cc(OC(F)(F)F)ccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001143794197 1131534326 /nfs/dbraw/zinc/53/43/26/1131534326.db2.gz SHAQUJHPWBJXET-RNCFNFMXSA-N 0 1 289.272 3.709 20 0 CHADMN C[C@H]1CN(Cc2cc(F)ccc2Cl)C2(CC2)C1 ZINC001138675421 1131536381 /nfs/dbraw/zinc/53/63/81/1131536381.db2.gz UZNNLKDAMZHPTM-SNVBAGLBSA-N 0 1 253.748 3.854 20 0 CHADMN CCOc1c(Cl)ccc(CN(CC)CC)c1F ZINC001143824455 1131536561 /nfs/dbraw/zinc/53/65/61/1131536561.db2.gz FDUUTBCXFUARDG-UHFFFAOYSA-N 0 1 259.752 3.720 20 0 CHADMN Fc1ccc(-c2ccc(CN3CCOC4(CC4)C3)cc2)cc1 ZINC001138683973 1131537267 /nfs/dbraw/zinc/53/72/67/1131537267.db2.gz BHLHSVKZEZPFNG-UHFFFAOYSA-N 0 1 297.373 3.858 20 0 CHADMN CCN(Cc1ccc(Cl)cc1)Cc1cccnc1NC ZINC001138696795 1131537988 /nfs/dbraw/zinc/53/79/88/1131537988.db2.gz ZKQNLEJBJCGVFJ-UHFFFAOYSA-N 0 1 289.810 3.799 20 0 CHADMN CNc1ncccc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC001138694203 1131538385 /nfs/dbraw/zinc/53/83/85/1131538385.db2.gz ZOTWTFZPVGGYPR-MRXNPFEDSA-N 0 1 285.366 3.600 20 0 CHADMN COc1c(F)cc(CN2C[C@@H](C)C[C@H](C)C2)cc1Cl ZINC001143848003 1131538714 /nfs/dbraw/zinc/53/87/14/1131538714.db2.gz JAFSQLCTTWJZNC-QWRGUYRKSA-N 0 1 285.790 3.966 20 0 CHADMN FC(F)(F)[C@@H]1CCCN(Cc2ccc3c(c2)CCCO3)C1 ZINC001138716044 1131540488 /nfs/dbraw/zinc/54/04/88/1131540488.db2.gz YDCTWXNIGRADBU-CQSZACIVSA-N 0 1 299.336 3.786 20 0 CHADMN Cc1cccc(Cl)c1CN1CC[C@@H]2CCCO[C@@H]2C1 ZINC001138720811 1131542013 /nfs/dbraw/zinc/54/20/13/1131542013.db2.gz CDNBAWUGKMYYIH-XJKSGUPXSA-N 0 1 279.811 3.649 20 0 CHADMN COc1cc(Cl)cc(CN2CC[C@H](C)C[C@@H]2C)c1OC ZINC001138746368 1131544440 /nfs/dbraw/zinc/54/44/40/1131544440.db2.gz ZQURHOLLJZGVIT-RYUDHWBXSA-N 0 1 297.826 3.978 20 0 CHADMN c1cc2cc(CN3CCSc4ccccc4C3)cnc2[nH]1 ZINC001138740187 1131545048 /nfs/dbraw/zinc/54/50/48/1131545048.db2.gz PYLXCMUAYOHRFR-UHFFFAOYSA-N 0 1 295.411 3.671 20 0 CHADMN CN(Cc1cccc(Cl)c1)Cc1cnc2[nH]ccc2c1 ZINC001138738779 1131545340 /nfs/dbraw/zinc/54/53/40/1131545340.db2.gz CCFBJSGPJLMKIW-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN C[C@]1(F)CCN([C@H]2CCc3cc(Cl)ccc3C2)C[C@@H]1F ZINC001171116254 1131548397 /nfs/dbraw/zinc/54/83/97/1131548397.db2.gz MDCITPPVDJUQGM-JYJNAYRXSA-N 0 1 299.792 3.969 20 0 CHADMN Cc1ccccc1[C@H](O)CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000832230627 1131548574 /nfs/dbraw/zinc/54/85/74/1131548574.db2.gz CTICBGKALXBWNJ-SJLPKXTDSA-N 0 1 297.398 3.849 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1Cc1cccnc1F ZINC001138786404 1131549460 /nfs/dbraw/zinc/54/94/60/1131549460.db2.gz JGHBTBBSWRGTKR-MRXNPFEDSA-N 0 1 270.351 3.866 20 0 CHADMN Fc1cccc([C@H]2CCCN2Cc2cccc3ccnn32)c1 ZINC001138806514 1131550699 /nfs/dbraw/zinc/55/06/99/1131550699.db2.gz MZEHHFNJJILEQP-GOSISDBHSA-N 0 1 295.361 3.811 20 0 CHADMN COc1ccc(CN2CCC(C)(C)CC2)c(F)c1F ZINC001143911172 1131552497 /nfs/dbraw/zinc/55/24/97/1131552497.db2.gz UHFBRQPMPHXVTM-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN CC[C@H]1CN(Cc2cncc3ccccc32)[C@@H](CC)CO1 ZINC000844386366 1131556464 /nfs/dbraw/zinc/55/64/64/1131556464.db2.gz MQQAIEWTCOBXOT-IRXDYDNUSA-N 0 1 284.403 3.624 20 0 CHADMN C[C@H]1CN(Cc2cc(F)cnc2Cl)CCC[C@@H]1C ZINC001138891173 1131558417 /nfs/dbraw/zinc/55/84/17/1131558417.db2.gz OJQYFGARHMMJJM-QWRGUYRKSA-N 0 1 270.779 3.742 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2cc(F)cnc2Cl)CC1 ZINC001138896561 1131558950 /nfs/dbraw/zinc/55/89/50/1131558950.db2.gz HTLZSJODLVEQIG-MJHDQNEOSA-N 0 1 270.779 3.885 20 0 CHADMN Clc1c2cc[nH]c2ncc1CN1CC(c2ccccc2)C1 ZINC001138936418 1131561960 /nfs/dbraw/zinc/56/19/60/1131561960.db2.gz PWCJMEYXHGLJNZ-UHFFFAOYSA-N 0 1 297.789 3.767 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@H](CCc3ccccc3)C2)n1 ZINC001138942527 1131562246 /nfs/dbraw/zinc/56/22/46/1131562246.db2.gz JSFDIEOLCXHSHT-QGZVFWFLSA-N 0 1 283.419 3.563 20 0 CHADMN CSCCN(C)Cc1cc(Cl)ccc1OC(C)C ZINC001138962846 1131566147 /nfs/dbraw/zinc/56/61/47/1131566147.db2.gz OAHDABCGWQXWFD-UHFFFAOYSA-N 0 1 287.856 3.922 20 0 CHADMN CC(C)Oc1cccc(CN2CC(C)(C)OC(C)(C)C2)c1 ZINC001138985684 1131568158 /nfs/dbraw/zinc/56/81/58/1131568158.db2.gz AUWWPORHBALBCD-UHFFFAOYSA-N 0 1 291.435 3.863 20 0 CHADMN C[C@@H]1CN(Cc2ccc(F)cn2)CCc2ccc(F)cc21 ZINC000844468743 1131568713 /nfs/dbraw/zinc/56/87/13/1131568713.db2.gz MBAYKZHEZDODTE-GFCCVEGCSA-N 0 1 288.341 3.522 20 0 CHADMN CC(C)Oc1cccc(CN2CCC[C@H]2c2cnccn2)c1 ZINC001138986843 1131568729 /nfs/dbraw/zinc/56/87/29/1131568729.db2.gz ZFZJDTSPQONRST-SFHVURJKSA-N 0 1 297.402 3.601 20 0 CHADMN CC(C)Oc1ccc(Br)cc1CN(C)C1CC1 ZINC001138993883 1131570223 /nfs/dbraw/zinc/57/02/23/1131570223.db2.gz ZCPHMCLNDXBLFP-UHFFFAOYSA-N 0 1 298.224 3.831 20 0 CHADMN CCOc1c(F)cc(CN2CC[C@H](C)C[C@H]2C)cc1F ZINC001144030544 1131570798 /nfs/dbraw/zinc/57/07/98/1131570798.db2.gz CZZXPTKLWISOLF-NWDGAFQWSA-N 0 1 283.362 3.984 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CCCOC(C)(C)C1 ZINC001139009741 1131571616 /nfs/dbraw/zinc/57/16/16/1131571616.db2.gz RNTRZXIBIHHAOF-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN CCOc1c(F)cc(CN2CCC3(CC3)CC2)cc1F ZINC001144023314 1131573148 /nfs/dbraw/zinc/57/31/48/1131573148.db2.gz RPSLLFFANZAZJF-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN CN(Cc1cscn1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171132758 1131577391 /nfs/dbraw/zinc/57/73/91/1131577391.db2.gz CWUKLJWZBQVHCZ-HNNXBMFYSA-N 0 1 292.835 3.786 20 0 CHADMN COc1ccc(-c2ccccc2)cc1CN1CCC1 ZINC001139069784 1131579381 /nfs/dbraw/zinc/57/93/81/1131579381.db2.gz ZATSHCLZLSPUJA-UHFFFAOYSA-N 0 1 253.345 3.568 20 0 CHADMN COc1ccc(CN2CC[C@@H](C)C[C@@H]2C)c(Cl)c1OC ZINC001139118276 1131582545 /nfs/dbraw/zinc/58/25/45/1131582545.db2.gz ROROWUKGLOKABM-NEPJUHHUSA-N 0 1 297.826 3.978 20 0 CHADMN CCn1ccc2ccc(CN3CCC[C@H](F)C3)cc21 ZINC001139121545 1131583519 /nfs/dbraw/zinc/58/35/19/1131583519.db2.gz GNWMXALWMRYXJU-HNNXBMFYSA-N 0 1 260.356 3.595 20 0 CHADMN Cc1nc2c(s1)CN(Cc1cccc3c1ccn3C)CC2 ZINC001139160250 1131588713 /nfs/dbraw/zinc/58/87/13/1131588713.db2.gz VWUCRZXWPDNVGB-UHFFFAOYSA-N 0 1 297.427 3.502 20 0 CHADMN CCOc1ccc(CN[C@@H]2C[C@]2(F)c2ccccc2)cc1 ZINC001202903694 1131590808 /nfs/dbraw/zinc/59/08/08/1131590808.db2.gz UFTOCIMVXAEUKR-MSOLQXFVSA-N 0 1 285.362 3.812 20 0 CHADMN c1ccc2c(c1)CN(Cc1ccc3cccnc3c1)CCO2 ZINC001139169626 1131591141 /nfs/dbraw/zinc/59/11/41/1131591141.db2.gz PKUMNJNRWHTFBA-UHFFFAOYSA-N 0 1 290.366 3.629 20 0 CHADMN Fc1ccc2n[nH]c(CN3C4CCCC3CCC4)c2c1 ZINC001144201188 1131596062 /nfs/dbraw/zinc/59/60/62/1131596062.db2.gz XXNBWJWWZXJSTL-UHFFFAOYSA-N 0 1 273.355 3.609 20 0 CHADMN Fc1ccc2[nH]nc(CN3C4CCCC3CCC4)c2c1 ZINC001144201188 1131596067 /nfs/dbraw/zinc/59/60/67/1131596067.db2.gz XXNBWJWWZXJSTL-UHFFFAOYSA-N 0 1 273.355 3.609 20 0 CHADMN Cc1ccc(CN(C)Cc2[nH]nc3ccc(F)cc32)cc1 ZINC001144197533 1131596565 /nfs/dbraw/zinc/59/65/65/1131596565.db2.gz SXHSTLBDHAKVNG-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN Fc1ccc2n[nH]c(CN3CCC[C@H]4CCCC[C@H]43)c2c1 ZINC001144199649 1131596631 /nfs/dbraw/zinc/59/66/31/1131596631.db2.gz PVAUMFMIAVOPNZ-SJKOYZFVSA-N 0 1 287.382 3.857 20 0 CHADMN Fc1ccc2[nH]nc(CN3CCC[C@H]4CCCC[C@H]43)c2c1 ZINC001144199649 1131596634 /nfs/dbraw/zinc/59/66/34/1131596634.db2.gz PVAUMFMIAVOPNZ-SJKOYZFVSA-N 0 1 287.382 3.857 20 0 CHADMN C[N@@H+](C/C=C/c1ccccc1)Cc1ccc2nsnc2c1 ZINC001139212691 1131597951 /nfs/dbraw/zinc/59/79/51/1131597951.db2.gz ZAKFCQUHTDTQPJ-VMPITWQZSA-N 0 1 295.411 3.837 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc3nsnc3c2)CCC1(F)F ZINC001139210058 1131597991 /nfs/dbraw/zinc/59/79/91/1131597991.db2.gz GBYBMFFBLIOOSS-UHFFFAOYSA-N 0 1 297.374 3.559 20 0 CHADMN CC1(C)CN(Cc2ccc3nsnc3c2)CCC1(F)F ZINC001139210058 1131597995 /nfs/dbraw/zinc/59/79/95/1131597995.db2.gz GBYBMFFBLIOOSS-UHFFFAOYSA-N 0 1 297.374 3.559 20 0 CHADMN Fc1ccccc1[C@H]1CCCN1Cc1ccc2nonc2c1 ZINC001139224356 1131598729 /nfs/dbraw/zinc/59/87/29/1131598729.db2.gz DIXPXFLEIQIHQV-QGZVFWFLSA-N 0 1 297.333 3.699 20 0 CHADMN CN(Cc1ccc2cc(O)ccc2c1)Cc1ccccn1 ZINC001139336898 1131601701 /nfs/dbraw/zinc/60/17/01/1131601701.db2.gz DINBDLKEICNIRA-UHFFFAOYSA-N 0 1 278.355 3.572 20 0 CHADMN F[C@H]1CCN(Cc2ccc(-c3ccccc3)s2)C1 ZINC001139411741 1131607207 /nfs/dbraw/zinc/60/72/07/1131607207.db2.gz AULPRWIGTSPVHO-ZDUSSCGKSA-N 0 1 261.365 3.959 20 0 CHADMN c1cc(-c2ccccc2)sc1CN1CCCC12COC2 ZINC001139414732 1131608273 /nfs/dbraw/zinc/60/82/73/1131608273.db2.gz WQWOGYVBYWMUFV-UHFFFAOYSA-N 0 1 285.412 3.780 20 0 CHADMN CCc1ccc(NC(=O)Nc2c(O)cc(F)cc2F)cc1 ZINC001202940731 1131611532 /nfs/dbraw/zinc/61/15/32/1131611532.db2.gz XDVQYQLBTXHJFJ-UHFFFAOYSA-N 0 1 292.285 3.877 20 0 CHADMN CCc1cccc(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)c1 ZINC001144318858 1131617402 /nfs/dbraw/zinc/61/74/02/1131617402.db2.gz MOCITPVIPBIANY-SJORKVTESA-N 0 1 271.404 3.583 20 0 CHADMN CCc1cccc(CN(C)Cc2ccc(OC)cc2OC)c1 ZINC001144323833 1131617906 /nfs/dbraw/zinc/61/79/06/1131617906.db2.gz PURSAAHFNPAVKP-UHFFFAOYSA-N 0 1 299.414 3.898 20 0 CHADMN CCc1cccc(C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC001144326751 1131618840 /nfs/dbraw/zinc/61/88/40/1131618840.db2.gz QYCUJJYGSZVDHR-UHFFFAOYSA-N 0 1 273.420 3.784 20 0 CHADMN CCc1cccc(CN2CCOC3(CCCCC3)C2)c1 ZINC001144326751 1131618841 /nfs/dbraw/zinc/61/88/41/1131618841.db2.gz QYCUJJYGSZVDHR-UHFFFAOYSA-N 0 1 273.420 3.784 20 0 CHADMN CCc1cc([NH+]=C([O-])Nc2c(C)cc(C)cc2C)ccn1 ZINC001202952234 1131620458 /nfs/dbraw/zinc/62/04/58/1131620458.db2.gz YOMBVVZIFQXCHL-UHFFFAOYSA-N 0 1 283.375 3.635 20 0 CHADMN CCCC1CCN(Cc2nc(C)c(C)s2)CC1 ZINC001144367040 1131620682 /nfs/dbraw/zinc/62/06/82/1131620682.db2.gz KGGWZFHXDTXPGD-UHFFFAOYSA-N 0 1 252.427 3.772 20 0 CHADMN CCOc1ccc(CN2CC3CC(C3)C2)cc1Cl ZINC001139597689 1131620693 /nfs/dbraw/zinc/62/06/93/1131620693.db2.gz HHEHWSQCXBVERS-UHFFFAOYSA-N 0 1 265.784 3.581 20 0 CHADMN CCCN(CCc1ccccn1)Cc1nc(C)c(C)s1 ZINC001144378253 1131621683 /nfs/dbraw/zinc/62/16/83/1131621683.db2.gz BJKOBHNNMFHNBE-UHFFFAOYSA-N 0 1 289.448 3.610 20 0 CHADMN COc1ccccc1C[N@@H+](C)Cc1c(C)cc(O)cc1C ZINC001139714132 1131631340 /nfs/dbraw/zinc/63/13/40/1131631340.db2.gz SGJDGPJFUDHNEI-UHFFFAOYSA-N 0 1 285.387 3.650 20 0 CHADMN COc1ccccc1CN(C)Cc1c(C)cc(O)cc1C ZINC001139714132 1131631342 /nfs/dbraw/zinc/63/13/42/1131631342.db2.gz SGJDGPJFUDHNEI-UHFFFAOYSA-N 0 1 285.387 3.650 20 0 CHADMN OCCN(Cc1cccs1)Cc1ccccc1C(F)F ZINC001139800899 1131637678 /nfs/dbraw/zinc/63/76/78/1131637678.db2.gz GBOBOQRZXYYNMZ-UHFFFAOYSA-N 0 1 297.370 3.680 20 0 CHADMN COc1ncc(CN2CCC3(CCCCC3)CC2)s1 ZINC001139814894 1131639199 /nfs/dbraw/zinc/63/91/99/1131639199.db2.gz OQUGOBWZYJVBTI-UHFFFAOYSA-N 0 1 280.437 3.698 20 0 CHADMN Cc1ccc(O[C@H]2CCCN(Cc3ccc(C)cn3)C2)cc1 ZINC001139838936 1131639646 /nfs/dbraw/zinc/63/96/46/1131639646.db2.gz XHCTUNYLQCHKDB-IBGZPJMESA-N 0 1 296.414 3.742 20 0 CHADMN C[C@H]1CN(Cc2cccc3c4ccccc4oc32)CCO1 ZINC001139856414 1131640887 /nfs/dbraw/zinc/64/08/87/1131640887.db2.gz RNQNTZLSILIBJB-ZDUSSCGKSA-N 0 1 281.355 3.807 20 0 CHADMN COc1cc(Cl)cc(C[N@@H+](C)C2CC(F)(F)C2)c1 ZINC001144479167 1131641482 /nfs/dbraw/zinc/64/14/82/1131641482.db2.gz REUHTZNBONCIDV-UHFFFAOYSA-N 0 1 275.726 3.578 20 0 CHADMN COc1cc(Cl)cc(CN(C)C2CC(F)(F)C2)c1 ZINC001144479167 1131641483 /nfs/dbraw/zinc/64/14/83/1131641483.db2.gz REUHTZNBONCIDV-UHFFFAOYSA-N 0 1 275.726 3.578 20 0 CHADMN Cc1cccc(CCN(C)Cc2ccncc2Cl)c1 ZINC001139847104 1131641776 /nfs/dbraw/zinc/64/17/76/1131641776.db2.gz KWUHKERJMHEZDA-UHFFFAOYSA-N 0 1 274.795 3.718 20 0 CHADMN CCN(Cc1cccc2c3ccccc3oc21)C1COC1 ZINC001139858661 1131642141 /nfs/dbraw/zinc/64/21/41/1131642141.db2.gz QGEWIWFYSGCUGA-UHFFFAOYSA-N 0 1 281.355 3.807 20 0 CHADMN COc1ccc(CN2CC[C@@H]2C)cc1OCc1ccccc1 ZINC001144493947 1131646163 /nfs/dbraw/zinc/64/61/63/1131646163.db2.gz OCPBTVLJQXHOEK-HNNXBMFYSA-N 0 1 297.398 3.868 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1CN1CCC[C@H]2C[C@H]21 ZINC001139886716 1131646628 /nfs/dbraw/zinc/64/66/28/1131646628.db2.gz JTPVOPYWMPLIBO-SMDDNHRTSA-N 0 1 269.310 3.998 20 0 CHADMN CN(Cc1ccno1)Cc1ccc(F)c2ccccc12 ZINC001139893927 1131648586 /nfs/dbraw/zinc/64/85/86/1131648586.db2.gz XMCKAAPWBBBQGQ-UHFFFAOYSA-N 0 1 270.307 3.599 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](Sc3ccncc3)C2)cn1 ZINC001139932919 1131650568 /nfs/dbraw/zinc/65/05/68/1131650568.db2.gz ZAKTYQSJEPUJDQ-QGZVFWFLSA-N 0 1 299.443 3.542 20 0 CHADMN C[C@@H]1CCC[N@H+](Cc2c(F)cc([O-])cc2F)C[C@H]1C ZINC001144541210 1131653869 /nfs/dbraw/zinc/65/38/69/1131653869.db2.gz DHJRXTCUKKZBBW-GHMZBOCLSA-N 0 1 269.335 3.538 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2c(F)cc([O-])cc2F)C[C@H]1C ZINC001144541210 1131653871 /nfs/dbraw/zinc/65/38/71/1131653871.db2.gz DHJRXTCUKKZBBW-GHMZBOCLSA-N 0 1 269.335 3.538 20 0 CHADMN CCCCN(Cc1ccccc1)Cc1cnc(Cl)nc1 ZINC001139989925 1131655313 /nfs/dbraw/zinc/65/53/13/1131655313.db2.gz AKTHCJDWGRQXJT-UHFFFAOYSA-N 0 1 289.810 3.932 20 0 CHADMN CSc1nccc(C[N@H+]2CCC[C@H]2c2ccccc2)n1 ZINC001140038058 1131659281 /nfs/dbraw/zinc/65/92/81/1131659281.db2.gz MBTCMAFQSWNPOC-HNNXBMFYSA-N 0 1 285.416 3.536 20 0 CHADMN CSc1nccc(CN2CCC[C@H]2c2ccccc2)n1 ZINC001140038058 1131659285 /nfs/dbraw/zinc/65/92/85/1131659285.db2.gz MBTCMAFQSWNPOC-HNNXBMFYSA-N 0 1 285.416 3.536 20 0 CHADMN COc1ccc2n[nH]c(C[N@H+]3CC[C@H]4CCCC[C@@H]4C3)c2c1 ZINC001140070580 1131661035 /nfs/dbraw/zinc/66/10/35/1131661035.db2.gz JSGHRIMOAOSAEF-ZIAGYGMSSA-N 0 1 299.418 3.584 20 0 CHADMN CC[C@@H](Nc1ccnc2[nH]cnc21)c1ccccc1C ZINC001171200191 1131661646 /nfs/dbraw/zinc/66/16/46/1131661646.db2.gz SOJZFBKQTIUURT-CYBMUJFWSA-N 0 1 266.348 3.830 20 0 CHADMN Oc1ccc(CN2CCC[C@H](C(F)F)C2)c(Cl)c1 ZINC001140085489 1131663382 /nfs/dbraw/zinc/66/33/82/1131663382.db2.gz PQGVRWRLNDDODE-JTQLQIEISA-N 0 1 275.726 3.523 20 0 CHADMN FC(F)(F)c1ccnc(CN2CC[C@H]3CCC[C@H]3C2)c1 ZINC001140105171 1131664206 /nfs/dbraw/zinc/66/42/06/1131664206.db2.gz PPNMZLDBPCMJBZ-NEPJUHHUSA-N 0 1 284.325 3.722 20 0 CHADMN FC(F)(F)c1ccnc(CN2CCC[C@H]3CCC[C@@H]32)c1 ZINC001140107682 1131664289 /nfs/dbraw/zinc/66/42/89/1131664289.db2.gz BFJQALPLYCZEQA-RISCZKNCSA-N 0 1 284.325 3.865 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1ccc(O)cc1F ZINC001140128128 1131665890 /nfs/dbraw/zinc/66/58/90/1131665890.db2.gz IALWDHNHULVXDL-UHFFFAOYSA-N 0 1 289.350 3.562 20 0 CHADMN C[C@@]1(F)CC[N@@H+](Cc2cccc3cnccc32)C[C@@H]1F ZINC001140143158 1131667634 /nfs/dbraw/zinc/66/76/34/1131667634.db2.gz TYRXEUJJZXKKMC-JKSUJKDBSA-N 0 1 276.330 3.507 20 0 CHADMN C[C@@]1(F)CCN(Cc2cccc3cnccc32)C[C@@H]1F ZINC001140143158 1131667635 /nfs/dbraw/zinc/66/76/35/1131667635.db2.gz TYRXEUJJZXKKMC-JKSUJKDBSA-N 0 1 276.330 3.507 20 0 CHADMN CC[C@@H](NC(=O)C=CC1CCCCCC1)c1ncc[nH]1 ZINC000845953135 1131670056 /nfs/dbraw/zinc/67/00/56/1131670056.db2.gz VGZRXNWJGISOGO-CFYYFVFUSA-N 0 1 275.396 3.504 20 0 CHADMN Cc1nn(-c2cccc(C)c2)cc1CN[C@@H](C)c1ccc[nH]1 ZINC000845947048 1131672784 /nfs/dbraw/zinc/67/27/84/1131672784.db2.gz JNKLTAGPVIMGFA-HNNXBMFYSA-N 0 1 294.402 3.668 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1F ZINC001144657664 1131675875 /nfs/dbraw/zinc/67/58/75/1131675875.db2.gz CKAZZFZWQNBEGX-IAQYHMDHSA-N 0 1 281.346 3.825 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2sccc2C(=O)[O-])Cc2ccccc21 ZINC001144666201 1131677002 /nfs/dbraw/zinc/67/70/02/1131677002.db2.gz WWBJPANJRPSUAP-LLVKDONJSA-N 0 1 287.384 3.566 20 0 CHADMN C[N@H+](Cc1sccc1C(=O)[O-])Cc1ccccc1Cl ZINC001144670807 1131678143 /nfs/dbraw/zinc/67/81/43/1131678143.db2.gz QYFLRMYYGDRYRT-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN C[N@@H+](Cc1sccc1C(=O)[O-])Cc1ccccc1Cl ZINC001144670807 1131678145 /nfs/dbraw/zinc/67/81/45/1131678145.db2.gz QYFLRMYYGDRYRT-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN Cc1cccc(CC[N@H+](C)Cc2cc(F)c([O-])cc2F)c1 ZINC001144658432 1131678962 /nfs/dbraw/zinc/67/89/62/1131678962.db2.gz WGNLGBXNXVADPG-UHFFFAOYSA-N 0 1 291.341 3.653 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2sccc2C(=O)[O-])cc1 ZINC001144677457 1131680092 /nfs/dbraw/zinc/68/00/92/1131680092.db2.gz QYRMHGLPBNKRKL-UHFFFAOYSA-N 0 1 289.400 3.641 20 0 CHADMN C[C@]1(CC[NH2+]Cc2cccc([O-])c2Cl)C[C@@]1(F)Cl ZINC000846035993 1131681579 /nfs/dbraw/zinc/68/15/79/1131681579.db2.gz KRYODZMDDUPJRB-STQMWFEESA-N 0 1 292.181 3.840 20 0 CHADMN O=C1CCN(Cc2cccc3cc[nH]c32)[C@@H]2CCCC[C@H]12 ZINC001144705501 1131685483 /nfs/dbraw/zinc/68/54/83/1131685483.db2.gz NADHKNAEGKDFOW-JKSUJKDBSA-N 0 1 282.387 3.502 20 0 CHADMN CCOc1ccc2[nH]cc(CN3CCC[C@@H]3CF)c2c1 ZINC001140275439 1131686859 /nfs/dbraw/zinc/68/68/59/1131686859.db2.gz PHITXMWMRDXRFG-CYBMUJFWSA-N 0 1 276.355 3.501 20 0 CHADMN O=C1CCN(Cc2ccc3c(c2)CCC3)[C@@H]2CCCC[C@@H]12 ZINC001203019386 1131687872 /nfs/dbraw/zinc/68/78/72/1131687872.db2.gz PQMRPPXVKAHGPX-QZTJIDSGSA-N 0 1 283.415 3.509 20 0 CHADMN C[C@H]1CCCN1Cc1sc(N2CCCCC2)nc1Cl ZINC001140288654 1131688508 /nfs/dbraw/zinc/68/85/08/1131688508.db2.gz RELIEWMJAANYTM-NSHDSACASA-N 0 1 299.871 3.771 20 0 CHADMN Clc1ccc(-c2ncc(CN3CCC3)s2)cc1 ZINC001140295203 1131689371 /nfs/dbraw/zinc/68/93/71/1131689371.db2.gz DCISGOKKXDUWHJ-UHFFFAOYSA-N 0 1 264.781 3.669 20 0 CHADMN Fc1cc(Cl)c(CN2C[C@@H]3CCC[C@H]3C2)cc1F ZINC001144722378 1131694933 /nfs/dbraw/zinc/69/49/33/1131694933.db2.gz WNAJOSAPLGUTOY-UWVGGRQHSA-N 0 1 271.738 3.850 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1ccccc1-c1cccnc1)C2 ZINC001140320424 1131696365 /nfs/dbraw/zinc/69/63/65/1131696365.db2.gz KZPVAYRTULFKGC-HKUYNNGSSA-N 0 1 294.398 3.502 20 0 CHADMN CN(Cc1ccc2scnc2c1)C1CC(F)(F)C1 ZINC001144732755 1131696846 /nfs/dbraw/zinc/69/68/46/1131696846.db2.gz LVPWIRKBEVHFSJ-UHFFFAOYSA-N 0 1 268.332 3.526 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2n[nH]cc21)c1ccccc1F ZINC000846190027 1131698502 /nfs/dbraw/zinc/69/85/02/1131698502.db2.gz NUUPDRJHFJGHQB-LSDHHAIUSA-N 0 1 273.355 3.667 20 0 CHADMN Cc1ccc2n[nH]c(CN3Cc4ccccc4[C@@H](C)C3)c2c1 ZINC001140329481 1131698969 /nfs/dbraw/zinc/69/89/69/1131698969.db2.gz YDFOSYQNKYVKMB-AWEZNQCLSA-N 0 1 291.398 3.991 20 0 CHADMN Cc1ccc2[nH]nc(CN3Cc4ccccc4[C@@H](C)C3)c2c1 ZINC001140329481 1131698971 /nfs/dbraw/zinc/69/89/71/1131698971.db2.gz YDFOSYQNKYVKMB-AWEZNQCLSA-N 0 1 291.398 3.991 20 0 CHADMN CCCCN(CC)Cc1c(F)ccc(F)c1OC ZINC001144745280 1131699313 /nfs/dbraw/zinc/69/93/13/1131699313.db2.gz VNCGEBMNNNZFCK-UHFFFAOYSA-N 0 1 257.324 3.595 20 0 CHADMN CCC[N@H+](C/C=C(\C)C(=O)[O-])Cc1c(F)cccc1Cl ZINC000846235369 1131701426 /nfs/dbraw/zinc/70/14/26/1131701426.db2.gz DDTJEQUPLRUMIO-YRNVUSSQSA-N 0 1 299.773 3.722 20 0 CHADMN CCC[N@@H+](C/C=C(\C)C(=O)[O-])Cc1c(F)cccc1Cl ZINC000846235369 1131701429 /nfs/dbraw/zinc/70/14/29/1131701429.db2.gz DDTJEQUPLRUMIO-YRNVUSSQSA-N 0 1 299.773 3.722 20 0 CHADMN O=C([O-])Cc1ccccc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000846235488 1131701581 /nfs/dbraw/zinc/70/15/81/1131701581.db2.gz WUQUXJYSEVZPBR-GOSISDBHSA-N 0 1 295.382 3.651 20 0 CHADMN C/C(=C\C[N@H+]1CCCC[C@@H]1CCc1ccccc1)C(=O)[O-] ZINC000846244388 1131703355 /nfs/dbraw/zinc/70/33/55/1131703355.db2.gz IJYANFUXZVIKRQ-OKACTXMXSA-N 0 1 287.403 3.505 20 0 CHADMN CC1(C)CC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001140363926 1131706591 /nfs/dbraw/zinc/70/65/91/1131706591.db2.gz ANGZFODGKIELEI-UHFFFAOYSA-N 0 1 299.871 3.629 20 0 CHADMN CC1(C)CCN(Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001140363926 1131706592 /nfs/dbraw/zinc/70/65/92/1131706592.db2.gz ANGZFODGKIELEI-UHFFFAOYSA-N 0 1 299.871 3.629 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCCc3c(F)cccc32)n(C)n1 ZINC000834815485 1131707641 /nfs/dbraw/zinc/70/76/41/1131707641.db2.gz WCVMAVZOOMRHKR-LRDDRELGSA-N 0 1 287.382 3.596 20 0 CHADMN Cc1cc(C)c([C@H](C)N[C@H]2CCn3ccnc32)cc1C ZINC000834837006 1131710200 /nfs/dbraw/zinc/71/02/00/1131710200.db2.gz QVMWIGLVSQJXKO-HOCLYGCPSA-N 0 1 269.392 3.604 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(C(=O)c1cc(F)cc(F)c1O)C1CC1 ZINC001144848476 1131712216 /nfs/dbraw/zinc/71/22/16/1131712216.db2.gz BHVSHENONQHYRL-NXEZZACHSA-N 0 1 297.345 3.710 20 0 CHADMN CCN1CC[C@@H](Oc2c(C)cc(Cl)cc2Cl)C1 ZINC001227725488 1131728038 /nfs/dbraw/zinc/72/80/38/1131728038.db2.gz XYOZZKKTRHGADJ-LLVKDONJSA-N 0 1 274.191 3.775 20 0 CHADMN CCCC[C@@H](CCC)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227717581 1131728231 /nfs/dbraw/zinc/72/82/31/1131728231.db2.gz YZQKNCGVIAJONO-WDEREUQCSA-N 0 1 280.368 3.511 20 0 CHADMN C[C@@H]1CCN(Cc2cnc3ccc(Cl)cn23)[C@H](C)C1 ZINC001140431357 1131732698 /nfs/dbraw/zinc/73/26/98/1131732698.db2.gz QIGLHXQTXFAVIH-VXGBXAGGSA-N 0 1 277.799 3.608 20 0 CHADMN CCC(C)(C)OCCN[C@H](C)c1cccnc1Cl ZINC000834915267 1131733673 /nfs/dbraw/zinc/73/36/73/1131733673.db2.gz QUXIAQNTBSQPQF-LLVKDONJSA-N 0 1 270.804 3.591 20 0 CHADMN CC[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cnsn1 ZINC000846788654 1131735758 /nfs/dbraw/zinc/73/57/58/1131735758.db2.gz FYLCGTPSTRYBSA-CVEARBPZSA-N 0 1 287.432 3.696 20 0 CHADMN CC(C)[N@H+]1CCC[C@@H](Oc2c(F)cc(Cl)cc2F)C1 ZINC001227848013 1131750762 /nfs/dbraw/zinc/75/07/62/1131750762.db2.gz SVVMTBZDEUZAGV-LLVKDONJSA-N 0 1 289.753 3.870 20 0 CHADMN CC(C)N1CCC[C@@H](Oc2c(F)cc(Cl)cc2F)C1 ZINC001227848013 1131750766 /nfs/dbraw/zinc/75/07/66/1131750766.db2.gz SVVMTBZDEUZAGV-LLVKDONJSA-N 0 1 289.753 3.870 20 0 CHADMN COc1cc(F)cc(CN2CC[C@@H](C)C(F)(F)CC2)c1 ZINC001140477645 1131757834 /nfs/dbraw/zinc/75/78/34/1131757834.db2.gz JCXAIPWBCXIOCQ-LLVKDONJSA-N 0 1 287.325 3.702 20 0 CHADMN CCN(Cc1cccs1)Cc1cc(F)cc(OC)c1 ZINC001140483861 1131761203 /nfs/dbraw/zinc/76/12/03/1131761203.db2.gz BKVUNUYAIAXJFE-UHFFFAOYSA-N 0 1 279.380 3.918 20 0 CHADMN CCCCC1CCN(Cc2ccc(C(=O)OC)s2)CC1 ZINC001140518961 1131777052 /nfs/dbraw/zinc/77/70/52/1131777052.db2.gz WVBCNUFLDSQMEG-UHFFFAOYSA-N 0 1 295.448 3.937 20 0 CHADMN FC[C@H]1CCCN(Cc2cc(F)cc(Cl)c2)C1 ZINC001140538997 1131785918 /nfs/dbraw/zinc/78/59/18/1131785918.db2.gz QMCWHZNYTOCEGF-SNVBAGLBSA-N 0 1 259.727 3.661 20 0 CHADMN O=C(c1ccc(Cl)c(O)c1)N1C2CCCC1CCC2 ZINC001146507834 1131788964 /nfs/dbraw/zinc/78/89/64/1131788964.db2.gz OCUCPLMOQWBGLD-UHFFFAOYSA-N 0 1 279.767 3.593 20 0 CHADMN Cc1cc(CN2CCSC[C@H]2c2ccccc2)ccc1O ZINC001140579022 1131803760 /nfs/dbraw/zinc/80/37/60/1131803760.db2.gz JLFMRWDKCPFYSL-KRWDZBQOSA-N 0 1 299.439 3.991 20 0 CHADMN CC[C@H](C)N(CC)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC001147110441 1131810549 /nfs/dbraw/zinc/81/05/49/1131810549.db2.gz GXGHNXJNKIHJKM-AWEZNQCLSA-N 0 1 299.418 3.954 20 0 CHADMN Cc1ccc(F)cc1CN1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001140589951 1131813005 /nfs/dbraw/zinc/81/30/05/1131813005.db2.gz RXSKWVCGCANPRY-DGCLKSJQSA-N 0 1 293.279 3.714 20 0 CHADMN CN(CCc1ccccc1)Cc1cc(Cl)ncc1F ZINC001140603323 1131823956 /nfs/dbraw/zinc/82/39/56/1131823956.db2.gz JUQFIJUMFFFWAX-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN Cc1cc(CN2C[C@H](C)[C@H](C)[C@H]2C)cnc1Br ZINC001171309561 1131824506 /nfs/dbraw/zinc/82/45/06/1131824506.db2.gz YUDSEMUIZXLSHU-SDDRHHMPSA-N 0 1 297.240 3.629 20 0 CHADMN C[C@H]1CCCN(Cc2cc(Cl)ncc2F)C[C@H]1C ZINC001140605916 1131825202 /nfs/dbraw/zinc/82/52/02/1131825202.db2.gz PIFBNRCXEADDAF-WDEREUQCSA-N 0 1 270.779 3.742 20 0 CHADMN Cc1cc(CN2C[C@H](C)[C@H](C)[C@@H]2C)cnc1Br ZINC001171309563 1131825294 /nfs/dbraw/zinc/82/52/94/1131825294.db2.gz YUDSEMUIZXLSHU-SRVKXCTJSA-N 0 1 297.240 3.629 20 0 CHADMN CN(CCc1cccs1)Cc1cc(Cl)ncc1F ZINC001140609937 1131826186 /nfs/dbraw/zinc/82/61/86/1131826186.db2.gz CYEIEVXZOIZJFZ-UHFFFAOYSA-N 0 1 284.787 3.610 20 0 CHADMN Clc1c(O[C@@H]2CN3CCC2CC3)ccc2ccccc21 ZINC001228256060 1131840425 /nfs/dbraw/zinc/84/04/25/1131840425.db2.gz QCHUNUMTFCCFMM-MRXNPFEDSA-N 0 1 287.790 3.966 20 0 CHADMN CC(C)CN(Cc1ccccc1)Cc1cnc(Cl)cn1 ZINC000799119634 1131849964 /nfs/dbraw/zinc/84/99/64/1131849964.db2.gz OTFNIYGIBXBCKB-UHFFFAOYSA-N 0 1 289.810 3.788 20 0 CHADMN CC(=O)[C@H](Oc1ccc2nc(C)[nH]c2c1)c1ccccc1 ZINC001228329600 1131858941 /nfs/dbraw/zinc/85/89/41/1131858941.db2.gz OVJGQBYVPLFFON-KRWDZBQOSA-N 0 1 280.327 3.580 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(C)CC(=O)c1cc(C)[nH]c1C ZINC000348117478 1131884086 /nfs/dbraw/zinc/88/40/86/1131884086.db2.gz XJHGVQMUDPHYPM-KRWDZBQOSA-N 0 1 298.430 3.767 20 0 CHADMN F[C@@H]1CN(Cc2c(Cl)ncc3ccccc32)C[C@@H]2C[C@@H]21 ZINC001140721426 1131895012 /nfs/dbraw/zinc/89/50/12/1131895012.db2.gz OGMYFOAMHUSTAC-CORIIIEPSA-N 0 1 290.769 3.678 20 0 CHADMN Clc1ccc2nc(CN3CCCC4(CCC4)C3)cn2c1 ZINC000348194826 1131895411 /nfs/dbraw/zinc/89/54/11/1131895411.db2.gz SNOGECVRUQNXQA-UHFFFAOYSA-N 0 1 289.810 3.754 20 0 CHADMN CCc1ccc(CN2CCC[C@H](C(F)(F)F)[C@H]2C)cn1 ZINC000348184521 1131901410 /nfs/dbraw/zinc/90/14/10/1131901410.db2.gz HNMARZYYPNTSMC-RISCZKNCSA-N 0 1 286.341 3.807 20 0 CHADMN CC(C)N1CCC[C@H](Oc2cc(Cl)ncc2Cl)C1 ZINC001228546671 1131907187 /nfs/dbraw/zinc/90/71/87/1131907187.db2.gz AOMKHHLYJIFTNO-JTQLQIEISA-N 0 1 289.206 3.640 20 0 CHADMN CCC[C@H](Oc1ccc2[nH]nnc2c1)c1ccccc1 ZINC001228662426 1131930363 /nfs/dbraw/zinc/93/03/63/1131930363.db2.gz HHNXAMBUJVQPDQ-INIZCTEOSA-N 0 1 267.332 3.878 20 0 CHADMN C[C@@H](Oc1ccc2[nH]nnc2c1)c1csc(Cl)c1 ZINC001228663651 1131930484 /nfs/dbraw/zinc/93/04/84/1131930484.db2.gz GKEPSKRYFJMRQR-SSDOTTSWSA-N 0 1 279.752 3.813 20 0 CHADMN Cc1ccc([C@H](C)N[C@H]2CCCc3c[nH]nc32)cc1F ZINC000773063976 1131934402 /nfs/dbraw/zinc/93/44/02/1131934402.db2.gz KXTBLENAHRSUAY-NHYWBVRUSA-N 0 1 273.355 3.585 20 0 CHADMN Cc1cc(Br)ccc1CN1CCC(C)CC1 ZINC001140815149 1131934850 /nfs/dbraw/zinc/93/48/50/1131934850.db2.gz HEUGCYOQORZITA-UHFFFAOYSA-N 0 1 282.225 3.989 20 0 CHADMN C[C@@H]1CCN(Cc2noc3c2CC(C)(C)CC3)[C@H](C)C1 ZINC001171381198 1131942795 /nfs/dbraw/zinc/94/27/95/1131942795.db2.gz JPGBTOFJKCKSOK-CHWSQXEVSA-N 0 1 276.424 3.810 20 0 CHADMN CC[C@H](C)N1CCN(C(=O)[C@@H](CC)CC2CCCC2)CC1 ZINC001140845553 1131943080 /nfs/dbraw/zinc/94/30/80/1131943080.db2.gz VVEKAONQURQOHX-RDJZCZTQSA-N 0 1 294.483 3.536 20 0 CHADMN CC[C@@H](C)N1CCN(C(=O)[C@@H](CC)CC2CCCC2)CC1 ZINC001140845554 1131944016 /nfs/dbraw/zinc/94/40/16/1131944016.db2.gz VVEKAONQURQOHX-WBVHZDCISA-N 0 1 294.483 3.536 20 0 CHADMN CN(Cc1c(N)cccc1F)[C@H]1CCc2ccccc21 ZINC001140878187 1131956653 /nfs/dbraw/zinc/95/66/53/1131956653.db2.gz QQFYXFQFVIHVQM-KRWDZBQOSA-N 0 1 270.351 3.527 20 0 CHADMN [O-]c1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c(F)c1F ZINC001140894024 1131959853 /nfs/dbraw/zinc/95/98/53/1131959853.db2.gz OCKYMUXVOMEXIC-DGCLKSJQSA-N 0 1 281.346 3.825 20 0 CHADMN Fc1cc(CN2CC3CC(C3)C2)ccc1OC(F)(F)F ZINC001140888977 1131959948 /nfs/dbraw/zinc/95/99/48/1131959948.db2.gz XFTPWDHUMGYABT-UHFFFAOYSA-N 0 1 289.272 3.566 20 0 CHADMN CN(Cc1ccccc1)Cc1cnccc1C(F)(F)F ZINC001140913776 1131960781 /nfs/dbraw/zinc/96/07/81/1131960781.db2.gz BPDGTCYCQIOECC-UHFFFAOYSA-N 0 1 280.293 3.732 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cnccc2C(F)(F)F)CC1 ZINC001140915636 1131962919 /nfs/dbraw/zinc/96/29/19/1131962919.db2.gz OYFXFKPKWVAHNC-CYBMUJFWSA-N 0 1 290.304 3.815 20 0 CHADMN c1ncc(CN(CCc2ccccc2)Cc2ccccc2)o1 ZINC001140932705 1131966214 /nfs/dbraw/zinc/96/62/14/1131966214.db2.gz XGPSLIWAGMFAAX-UHFFFAOYSA-N 0 1 292.382 3.920 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2cccc(Cl)c2)n[nH]1 ZINC001203080666 1131968157 /nfs/dbraw/zinc/96/81/57/1131968157.db2.gz AQLMJZGMPIGVGQ-OAHLLOKOSA-N 0 1 275.783 3.709 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)NCc2ccccn2)c1 ZINC000036997366 1131989292 /nfs/dbraw/zinc/98/92/92/1131989292.db2.gz ODASEWMEACGSJL-CQSZACIVSA-N 0 1 270.376 3.720 20 0 CHADMN c1cc2c(O[C@@H]3CC[C@H]4CCCC[C@@H]4C3)nnc-2c[nH]1 ZINC001228990590 1131993255 /nfs/dbraw/zinc/99/32/55/1131993255.db2.gz QZUDRMNGBYQIQY-JHJVBQTASA-N 0 1 271.364 3.696 20 0 CHADMN Fc1ccccc1[C@H]1CCCN1Cc1ccn2ccnc2c1 ZINC001141044620 1131994544 /nfs/dbraw/zinc/99/45/44/1131994544.db2.gz PXDAMCFUUVJAQY-QGZVFWFLSA-N 0 1 295.361 3.811 20 0 CHADMN Clc1ccc2c(c1)[C@H](Oc1nnc3c[nH]ccc1-3)CC2 ZINC001228995074 1131995519 /nfs/dbraw/zinc/99/55/19/1131995519.db2.gz MPHOAZDPTDYVPW-CQSZACIVSA-N 0 1 285.734 3.678 20 0 CHADMN CCC(CC)[C@H](NCc1cc[nH]n1)c1ccccc1 ZINC000037107836 1131996843 /nfs/dbraw/zinc/99/68/43/1131996843.db2.gz NBZUWTGXPGKMJD-INIZCTEOSA-N 0 1 257.381 3.677 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)cc1)c1ccns1 ZINC000715968829 1132000409 /nfs/dbraw/zinc/00/04/09/1132000409.db2.gz WGCMBJHQDQHSBS-VHSXEESVSA-N 0 1 250.342 3.694 20 0 CHADMN CC(=O)[C@@H]1CCCN1Cc1ccccc1-c1cccs1 ZINC001141097141 1132016098 /nfs/dbraw/zinc/01/60/98/1132016098.db2.gz CBFRDNCSXNPMHZ-INIZCTEOSA-N 0 1 285.412 3.969 20 0 CHADMN C[C@H]1CN(Cc2cccc(C(C)(C)C)c2)CCCC1=O ZINC001141102452 1132016142 /nfs/dbraw/zinc/01/61/42/1132016142.db2.gz AZNHHQDDPLNZKA-AWEZNQCLSA-N 0 1 273.420 3.785 20 0 CHADMN Clc1ccc([C@H]2CCN(Cc3cn[nH]c3)C2)cc1Cl ZINC001203096651 1132024210 /nfs/dbraw/zinc/02/42/10/1132024210.db2.gz FUROTDYZCXZEFC-LBPRGKRZSA-N 0 1 296.201 3.706 20 0 CHADMN Cc1n[nH]c(CNCc2ccc(Cl)c(Cl)c2)c1C ZINC000716472555 1132024743 /nfs/dbraw/zinc/02/47/43/1132024743.db2.gz JNNVQNXLWTXFDT-UHFFFAOYSA-N 0 1 284.190 3.623 20 0 CHADMN C[C@@H](Cc1ccco1)NCc1csc(-c2ccccn2)n1 ZINC000037291939 1132027587 /nfs/dbraw/zinc/02/75/87/1132027587.db2.gz OHWYYRNAXCRJMX-LBPRGKRZSA-N 0 1 299.399 3.519 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H]2CCC3(CCC3)CO2)c(C)s1 ZINC000716533708 1132027658 /nfs/dbraw/zinc/02/76/58/1132027658.db2.gz SJJAZSKICIBQIS-BXUZGUMPSA-N 0 1 294.464 3.760 20 0 CHADMN Cc1nc([C@H](C)NC[C@H]2CCC3(CCC3)CO2)c(C)s1 ZINC000716533717 1132028545 /nfs/dbraw/zinc/02/85/45/1132028545.db2.gz SJJAZSKICIBQIS-SMDDNHRTSA-N 0 1 294.464 3.760 20 0 CHADMN Cc1cccc(Br)c1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001248618933 1132033819 /nfs/dbraw/zinc/03/38/19/1132033819.db2.gz OXPTXNWDEDVKOB-MJVIPROJSA-N 0 1 298.199 3.690 20 0 CHADMN CC(=O)CC(C)(C)Nc1nccc2cc(C)ccc21 ZINC001171496182 1132039305 /nfs/dbraw/zinc/03/93/05/1132039305.db2.gz ZERQOWOOCQVBDK-UHFFFAOYSA-N 0 1 256.349 3.713 20 0 CHADMN Cc1ccc(C[N@@H+](C)CCc2ccccc2)c(F)c1 ZINC001141191211 1132040202 /nfs/dbraw/zinc/04/02/02/1132040202.db2.gz DDURQCONPOMIJV-UHFFFAOYSA-N 0 1 257.352 3.809 20 0 CHADMN Cc1ccc(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c(F)c1 ZINC001141191903 1132040731 /nfs/dbraw/zinc/04/07/31/1132040731.db2.gz XOWNDLUFUFLBTH-VXGBXAGGSA-N 0 1 293.279 3.714 20 0 CHADMN Cc1ccc(CN2C[C@@H](CF)[C@H](C(F)(F)F)C2)c(F)c1 ZINC001141191903 1132040736 /nfs/dbraw/zinc/04/07/36/1132040736.db2.gz XOWNDLUFUFLBTH-VXGBXAGGSA-N 0 1 293.279 3.714 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)ccc1Cl ZINC001141233341 1132054431 /nfs/dbraw/zinc/05/44/31/1132054431.db2.gz QNXALKPYDQKGAQ-ZBFHGGJFSA-N 0 1 279.811 3.649 20 0 CHADMN Cc1cc(CN2CC[C@H]3CCCO[C@H]3C2)ccc1Cl ZINC001141233341 1132054437 /nfs/dbraw/zinc/05/44/37/1132054437.db2.gz QNXALKPYDQKGAQ-ZBFHGGJFSA-N 0 1 279.811 3.649 20 0 CHADMN CCCC[C@H](Oc1nc(C)nc2[nH]cnc21)c1ccccc1 ZINC001229438701 1132067030 /nfs/dbraw/zinc/06/70/30/1132067030.db2.gz TVZPFSPMLNMEEY-AWEZNQCLSA-N 0 1 296.374 3.972 20 0 CHADMN CC[C@H](C(=O)OC(C)(C)C)N(C)CCC(C)(C)C1CC1 ZINC001171670869 1132073832 /nfs/dbraw/zinc/07/38/32/1132073832.db2.gz MWIFJZGCONEJQC-CQSZACIVSA-N 0 1 283.456 3.865 20 0 CHADMN Cc1ccc(CC[C@H](C)N(C)Cc2nccs2)cc1 ZINC001171680971 1132078085 /nfs/dbraw/zinc/07/80/85/1132078085.db2.gz UMUYUTQDZKQBQV-AWEZNQCLSA-N 0 1 274.433 3.905 20 0 CHADMN COc1cc(Cl)ncc1CN1CCC2(CCCC2)C1 ZINC001141341445 1132093378 /nfs/dbraw/zinc/09/33/78/1132093378.db2.gz CHMVFSYXALJCOU-UHFFFAOYSA-N 0 1 280.799 3.510 20 0 CHADMN COc1cc(Cl)ncc1CN1CCCCC[C@@H]1C ZINC001141340519 1132094405 /nfs/dbraw/zinc/09/44/05/1132094405.db2.gz HNKMLKJEJYWUIN-NSHDSACASA-N 0 1 268.788 3.508 20 0 CHADMN C[C@@H]1CN(CCO[C@@H]2CCCC[C@@H]2C)CC2(CCCC2)O1 ZINC001171735936 1132097925 /nfs/dbraw/zinc/09/79/25/1132097925.db2.gz ZCOFXLCNKARPQM-GVDBMIGSSA-N 0 1 295.467 3.615 20 0 CHADMN c1cc(-c2cccc(CN3CCCC34COC4)c2)cs1 ZINC001141383957 1132109611 /nfs/dbraw/zinc/10/96/11/1132109611.db2.gz AULRGKXOTHZSLL-UHFFFAOYSA-N 0 1 285.412 3.780 20 0 CHADMN C1=C[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[CH]C1 ZINC001172068254 1132124453 /nfs/dbraw/zinc/12/44/53/1132124453.db2.gz JFVCOWWXCZMOJD-WTGUMLROSA-N 0 1 295.450 3.694 20 0 CHADMN CC[C@@H](Oc1ccc(F)cc1CN(C)C)C(C)C ZINC001229857890 1132125564 /nfs/dbraw/zinc/12/55/64/1132125564.db2.gz BMEWVEHTNUYRMY-CQSZACIVSA-N 0 1 253.361 3.701 20 0 CHADMN C[C@@H](N[C@H]1CSc2ccccc2C1)c1nccs1 ZINC001172188758 1132137662 /nfs/dbraw/zinc/13/76/62/1132137662.db2.gz WFSYCNNLUSJGAE-ZYHUDNBSSA-N 0 1 276.430 3.511 20 0 CHADMN CCN(Cc1cccs1)C[C@@H]1CC1(Cl)Cl ZINC000838523375 1132140452 /nfs/dbraw/zinc/14/04/52/1132140452.db2.gz PPVILVDWTURYIP-VIFPVBQESA-N 0 1 264.221 3.764 20 0 CHADMN Clc1cnc(CN[C@@H]2CSc3ccccc3C2)s1 ZINC001172204827 1132140992 /nfs/dbraw/zinc/14/09/92/1132140992.db2.gz RVIJUTKTOIIKIN-JTQLQIEISA-N 0 1 296.848 3.603 20 0 CHADMN CCC[C@@H](Oc1nc[nH]c(=O)c1Cl)c1ccccc1 ZINC001230016874 1132145726 /nfs/dbraw/zinc/14/57/26/1132145726.db2.gz JBXVSGJKNMULAY-LLVKDONJSA-N 0 1 278.739 3.756 20 0 CHADMN Cc1ccc(CN2CCCC23CCC3)c(Cl)n1 ZINC000838972415 1132162315 /nfs/dbraw/zinc/16/23/15/1132162315.db2.gz WBJVGYVZWXJPPD-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)[C@H]1COC(C)(C)C1 ZINC001172294156 1132165942 /nfs/dbraw/zinc/16/59/42/1132165942.db2.gz VNSREERTQGLBHF-NWDGAFQWSA-N 0 1 267.800 3.900 20 0 CHADMN C[C@@H]1CC[C@H](N2CC[C@@H]2N(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001172379876 1132171128 /nfs/dbraw/zinc/17/11/28/1132171128.db2.gz PVXGMEUPBYWWHO-CBBWQLFWSA-N 0 1 296.455 3.710 20 0 CHADMN C[C@@H]1CC[C@H](N2CC[C@@H]2N(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001172379873 1132171522 /nfs/dbraw/zinc/17/15/22/1132171522.db2.gz PVXGMEUPBYWWHO-APIJFGDWSA-N 0 1 296.455 3.710 20 0 CHADMN CC[C@@H](C)OCC[C@H](C)N1Cc2cccc(OC)c2C1 ZINC001172348552 1132181551 /nfs/dbraw/zinc/18/15/51/1132181551.db2.gz QRGWCWZGIXNHNI-UONOGXRCSA-N 0 1 277.408 3.605 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1c[nH]c2cc(Cl)ccc12 ZINC001141577400 1132187150 /nfs/dbraw/zinc/18/71/50/1132187150.db2.gz DBIYDSRUDOHDSR-BXKDBHETSA-N 0 1 266.747 3.754 20 0 CHADMN C[C@H](Cc1cccc(F)c1)N(C)Cc1cc(F)ncc1F ZINC000839188027 1132188518 /nfs/dbraw/zinc/18/85/18/1132188518.db2.gz VIGHZWPAAQCTMV-LLVKDONJSA-N 0 1 294.320 3.562 20 0 CHADMN FC(F)C1CN(Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001141592970 1132196208 /nfs/dbraw/zinc/19/62/08/1132196208.db2.gz GOLSOOGGJJJXIW-UHFFFAOYSA-N 0 1 270.710 3.518 20 0 CHADMN CCCCCC[C@H](CCC)[NH2+]CCCC[P@](=O)([O-])O ZINC001172391212 1132216109 /nfs/dbraw/zinc/21/61/09/1132216109.db2.gz PXVWMPCDUYUGSX-AWEZNQCLSA-N 0 1 293.388 3.673 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2ccc3cc(F)ccc3n2)C1 ZINC001141640060 1132219573 /nfs/dbraw/zinc/21/95/73/1132219573.db2.gz MAAIEQCJXOYSLV-NHYWBVRUSA-N 0 1 276.330 3.554 20 0 CHADMN Cc1ccc2c(c1)nc(=O)[nH]c2O[C@H](C)c1ccccc1F ZINC001230888408 1132223457 /nfs/dbraw/zinc/22/34/57/1132223457.db2.gz MGVUMPPBYKAGNA-LLVKDONJSA-N 0 1 298.317 3.923 20 0 CHADMN Cl/C=C/CN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000839651388 1132228237 /nfs/dbraw/zinc/22/82/37/1132228237.db2.gz HSWBLTJUUHRDDS-BCFOUKGLSA-N 0 1 277.795 3.593 20 0 CHADMN CCN(Cc1occc1C)C[C@@]1(C)CC1(Cl)Cl ZINC000839662923 1132229051 /nfs/dbraw/zinc/22/90/51/1132229051.db2.gz MYAQIQZEXRGSOI-GFCCVEGCSA-N 0 1 276.207 3.994 20 0 CHADMN COc1ccc([C@@H](C)Oc2cc3[nH]ncc3c(F)c2)cc1 ZINC001230930384 1132231205 /nfs/dbraw/zinc/23/12/05/1132231205.db2.gz DDHZHNCBHXORPI-SNVBAGLBSA-N 0 1 286.306 3.851 20 0 CHADMN Fc1cc(O[C@@H]2CCc3ccccc32)cc2[nH]ncc21 ZINC001230931283 1132231231 /nfs/dbraw/zinc/23/12/31/1132231231.db2.gz WVMWRGIUJYEYPI-MRXNPFEDSA-N 0 1 268.291 3.768 20 0 CHADMN CN(CN1C(=O)C2(CCC2)[C@H]1c1ccccc1)C1CCCC1 ZINC000839954373 1132242291 /nfs/dbraw/zinc/24/22/91/1132242291.db2.gz IBGZGUNOTRQLSS-QGZVFWFLSA-N 0 1 298.430 3.572 20 0 CHADMN C[C@@H]1CCCN1CN1C(=O)C2(CCCC2)[C@@H]1c1ccccc1 ZINC000840015533 1132245336 /nfs/dbraw/zinc/24/53/36/1132245336.db2.gz QMUIMANTZJCYRI-WBVHZDCISA-N 0 1 298.430 3.572 20 0 CHADMN CC(F)(F)CN[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172530693 1132245437 /nfs/dbraw/zinc/24/54/37/1132245437.db2.gz DPQAEFKHNSHRQO-KGLIPLIRSA-N 0 1 253.336 3.958 20 0 CHADMN CCCCC[C@@](C)(CC)C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840473854 1132262381 /nfs/dbraw/zinc/26/23/81/1132262381.db2.gz BHXVHZMBLWKGKW-IAQYHMDHSA-N 0 1 281.400 3.714 20 0 CHADMN C[C@@H](N[C@H]1CC[C@@H](c2ccccc2)C1)c1ncc(F)cn1 ZINC001172561753 1132268627 /nfs/dbraw/zinc/26/86/27/1132268627.db2.gz YVUHHYIVJQAFOI-XPKDYRNWSA-N 0 1 285.366 3.603 20 0 CHADMN CC[C@H](F)C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC001141945191 1132270871 /nfs/dbraw/zinc/27/08/71/1132270871.db2.gz PGFNSKMCGIKMPQ-JTQLQIEISA-N 0 1 287.294 3.510 20 0 CHADMN c1ccc([C@@H]2CCC[C@H](NCc3nc(C4CC4)no3)C2)cc1 ZINC001172541378 1132277459 /nfs/dbraw/zinc/27/74/59/1132277459.db2.gz XEDILXPXAWDBCL-CVEARBPZSA-N 0 1 297.402 3.763 20 0 CHADMN O=C(c1cccc2[nH]cnc21)N(CC1CCCCC1)C1CC1 ZINC001141967166 1132278723 /nfs/dbraw/zinc/27/87/23/1132278723.db2.gz RBGRVZPPWCSYQM-UHFFFAOYSA-N 0 1 297.402 3.748 20 0 CHADMN c1ccc([C@@H]2CCC[C@H](N3C[C@H]4CC[C@@H]3CO4)C2)cc1 ZINC001172549118 1132282703 /nfs/dbraw/zinc/28/27/03/1132282703.db2.gz NDXVFSKCQPKKLY-XMTFNYHQSA-N 0 1 271.404 3.576 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(F)cc2C)nc1C ZINC000840784182 1132286420 /nfs/dbraw/zinc/28/64/20/1132286420.db2.gz MZESEILJGJRNQZ-AWEZNQCLSA-N 0 1 272.367 3.997 20 0 CHADMN CC[C@H](NCc1cnc(C)o1)c1ccc2c(c1)CCCO2 ZINC000840795532 1132288232 /nfs/dbraw/zinc/28/82/32/1132288232.db2.gz HTHIJEVJESNESC-INIZCTEOSA-N 0 1 286.375 3.549 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc3ccccn23)cc1Cl ZINC001231418334 1132291996 /nfs/dbraw/zinc/29/19/96/1132291996.db2.gz QXTASMZXFQCLPC-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN CC[C@@H]1CCCN(Cc2c(F)ccc(F)c2OC)C1 ZINC001231414511 1132292598 /nfs/dbraw/zinc/29/25/98/1132292598.db2.gz WWEOEASPAJNRJK-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN Cc1nc2c(s1)CN(C1CC(C)(C)OC(C)(C)C1)C2 ZINC001172661091 1132292865 /nfs/dbraw/zinc/29/28/65/1132292865.db2.gz MUVOWOWOJNJFCD-UHFFFAOYSA-N 0 1 280.437 3.503 20 0 CHADMN Cc1c(F)ccc(CN2CCC(C)(C)CC2)c1F ZINC001231477574 1132296465 /nfs/dbraw/zinc/29/64/65/1132296465.db2.gz LLYSLMUGGGTVLB-UHFFFAOYSA-N 0 1 253.336 3.895 20 0 CHADMN Cc1c(F)ccc(CN2C[C@H]3[C@H](CCC3(F)F)C2)c1F ZINC001231474514 1132296674 /nfs/dbraw/zinc/29/66/74/1132296674.db2.gz DCERHZVMGXLWQD-PWSUYJOCSA-N 0 1 287.300 3.750 20 0 CHADMN CCCN(C)Cc1ccc(Cl)nc1NC(=O)C(C)(C)C ZINC001231444338 1132296771 /nfs/dbraw/zinc/29/67/71/1132296771.db2.gz MDWORSNSLAALRR-UHFFFAOYSA-N 0 1 297.830 3.561 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccccc1F ZINC001231466884 1132297200 /nfs/dbraw/zinc/29/72/00/1132297200.db2.gz MNZHSUNUVJEYOW-UHFFFAOYSA-N 0 1 293.363 3.608 20 0 CHADMN Clc1cnc(CNC2CCC3(CCCC3)CC2)nc1 ZINC001172726596 1132299071 /nfs/dbraw/zinc/29/90/71/1132299071.db2.gz YDNFARMULINJET-UHFFFAOYSA-N 0 1 279.815 3.723 20 0 CHADMN COc1cc(Br)ccc1CN1CCCC1(C)C ZINC001231512284 1132311354 /nfs/dbraw/zinc/31/13/54/1132311354.db2.gz NXHZUAVRNCZPPM-UHFFFAOYSA-N 0 1 298.224 3.832 20 0 CHADMN CN1CCN(C2CCC3(CCCC3)CC2)Cc2cccnc21 ZINC001172728852 1132302319 /nfs/dbraw/zinc/30/23/19/1132302319.db2.gz KREYMFUVXWFCNW-UHFFFAOYSA-N 0 1 299.462 3.836 20 0 CHADMN CCOC(=O)[C@@H]1CCC[N@H+]1C1CCC2(CCCC2)CC1 ZINC001172730183 1132303747 /nfs/dbraw/zinc/30/37/47/1132303747.db2.gz YTYGPAUKKZYARU-HNNXBMFYSA-N 0 1 279.424 3.517 20 0 CHADMN c1cc2c(cn1)C[N@@H+](C1CCC3(CCCC3)CC1)CC2 ZINC001172729954 1132303915 /nfs/dbraw/zinc/30/39/15/1132303915.db2.gz OTCBEALIVYKRJR-UHFFFAOYSA-N 0 1 270.420 3.943 20 0 CHADMN Cc1c(C)c(C)c(CN2CCC(=O)[C@H](F)CC2)c(C)c1C ZINC001231491921 1132304109 /nfs/dbraw/zinc/30/41/09/1132304109.db2.gz BWNUXLRGPBSKMW-QGZVFWFLSA-N 0 1 291.410 3.732 20 0 CHADMN Cc1c(C)c(C)c(CN2CCc3ncn(C)c3C2)c(C)c1C ZINC001231494675 1132306706 /nfs/dbraw/zinc/30/67/06/1132306706.db2.gz QVIKUDSLZBGZAH-UHFFFAOYSA-N 0 1 297.446 3.521 20 0 CHADMN OC[C@@H]1C[C@H](F)CN(Cc2cccc(-c3ccccc3)c2)C1 ZINC001231508756 1132308963 /nfs/dbraw/zinc/30/89/63/1132308963.db2.gz OTBYMUHUKXDSJK-APWZRJJASA-N 0 1 299.389 3.506 20 0 CHADMN COCCN(C)Cc1ccc(F)c(Oc2ccccc2)c1 ZINC001231537505 1132314819 /nfs/dbraw/zinc/31/48/19/1132314819.db2.gz ZMZJSKJZJODVSD-UHFFFAOYSA-N 0 1 289.350 3.696 20 0 CHADMN FC(F)CNC1CCC(Cc2ccccc2)CC1 ZINC001172816073 1132316132 /nfs/dbraw/zinc/31/61/32/1132316132.db2.gz CBUDAGUKXDDARE-UHFFFAOYSA-N 0 1 253.336 3.643 20 0 CHADMN CC(C)C1CCN(Cc2nc3c(s2)CCCC3)CC1 ZINC001231583228 1132316940 /nfs/dbraw/zinc/31/69/40/1132316940.db2.gz JBJPGUDXXGFGIA-UHFFFAOYSA-N 0 1 278.465 3.890 20 0 CHADMN O=C([O-])[C@H]1CCC[N@H+]1[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000840996237 1132317249 /nfs/dbraw/zinc/31/72/49/1132317249.db2.gz HBLYSJHVDQNPPU-BPLDGKMQSA-N 0 1 293.794 3.525 20 0 CHADMN O=C([O-])[C@H]1CCC[N@H+]1[C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000840995979 1132317937 /nfs/dbraw/zinc/31/79/37/1132317937.db2.gz BESBNVHJRSWWGS-BRWVUGGUSA-N 0 1 287.403 3.652 20 0 CHADMN C[C@H]1C[C@@H]([N@H+]2CCC[C@@H]2C(=O)[O-])C[C@@H](c2ccccc2)C1 ZINC000840996118 1132318214 /nfs/dbraw/zinc/31/82/14/1132318214.db2.gz OCRKNAVMULXORM-XLNGHYISSA-N 0 1 287.403 3.508 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)C[C@@H]([N@H+]2CCC[C@@H]2C(=O)[O-])C1 ZINC000840996115 1132319123 /nfs/dbraw/zinc/31/91/23/1132319123.db2.gz OCRKNAVMULXORM-BSWAZPDLSA-N 0 1 287.403 3.508 20 0 CHADMN CCN(Cc1ccc(C)c(C)c1)Cc1ccc(Cl)nn1 ZINC001142076780 1132320678 /nfs/dbraw/zinc/32/06/78/1132320678.db2.gz YSTCPGPNPIJFKR-UHFFFAOYSA-N 0 1 289.810 3.769 20 0 CHADMN COc1cc(F)ccc1CN(C)C/C=C/c1ccccc1 ZINC001231607347 1132325454 /nfs/dbraw/zinc/32/54/54/1132325454.db2.gz ZBFSHQHIYWDELC-RMKNXTFCSA-N 0 1 285.362 3.980 20 0 CHADMN COc1cc(F)ccc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001231605213 1132327034 /nfs/dbraw/zinc/32/70/34/1132327034.db2.gz JKJXYGNKTPEQDK-DOMZBBRYSA-N 0 1 263.356 3.599 20 0 CHADMN c1oc(-c2ccccc2)nc1CN(CC1CC1)C1CC1 ZINC001231632261 1132330442 /nfs/dbraw/zinc/33/04/42/1132330442.db2.gz KXNVDVVVVRDWSA-UHFFFAOYSA-N 0 1 268.360 3.716 20 0 CHADMN C[C@@H]1CCN(Cc2coc(-c3ccccc3)n2)[C@@H](C)C1 ZINC001231631090 1132332007 /nfs/dbraw/zinc/33/20/07/1132332007.db2.gz NKLDBVRRSOTQCP-KGLIPLIRSA-N 0 1 270.376 3.962 20 0 CHADMN COc1cc(C)c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1C(C)C ZINC001231627869 1132332417 /nfs/dbraw/zinc/33/24/17/1132332417.db2.gz NZNJZRZABFTBQT-XIRDDKMYSA-N 0 1 291.410 3.917 20 0 CHADMN CCc1ccc(CN2CC[C@@H](Oc3ccccc3C)C2)nc1 ZINC001231640245 1132332540 /nfs/dbraw/zinc/33/25/40/1132332540.db2.gz AXPWGGWYDDKFJP-GOSISDBHSA-N 0 1 296.414 3.606 20 0 CHADMN CC(=O)C1CCN([C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC001172868158 1132332612 /nfs/dbraw/zinc/33/26/12/1132332612.db2.gz FKCPFSYLUZXNMG-LLVKDONJSA-N 0 1 297.801 3.711 20 0 CHADMN CCOc1ccc(CN2Cc3ccccc3[C@@H](C)C2)cn1 ZINC001231649812 1132335811 /nfs/dbraw/zinc/33/58/11/1132335811.db2.gz TUOKOVVKHVYWGE-AWEZNQCLSA-N 0 1 282.387 3.600 20 0 CHADMN Cc1sc2ccccc2c1CN1CCc2cnn(C)c2C1 ZINC001231649974 1132336534 /nfs/dbraw/zinc/33/65/34/1132336534.db2.gz VJERLVMNINCMSB-UHFFFAOYSA-N 0 1 297.427 3.502 20 0 CHADMN CCOc1ccc(CN(C)Cc2cccc(Cl)c2)cn1 ZINC001231653353 1132337633 /nfs/dbraw/zinc/33/76/33/1132337633.db2.gz OTOYWOBIOCUCJY-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN Cc1cccc2c1CCN(Cc1[nH]cnc1C(C)(C)C)C2 ZINC001142209881 1132341412 /nfs/dbraw/zinc/34/14/12/1132341412.db2.gz XSIWBGPMKXNFQS-UHFFFAOYSA-N 0 1 283.419 3.574 20 0 CHADMN CCC1(O)CCN([C@@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172856072 1132342736 /nfs/dbraw/zinc/34/27/36/1132342736.db2.gz HYUNHTHRJANZBM-LBPRGKRZSA-N 0 1 299.817 3.647 20 0 CHADMN COCc1ccc(CN2CCC(c3cccs3)CC2)o1 ZINC001231692986 1132343046 /nfs/dbraw/zinc/34/30/46/1132343046.db2.gz VBZDMYFESXYAAU-UHFFFAOYSA-N 0 1 291.416 3.867 20 0 CHADMN C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001172858889 1132344261 /nfs/dbraw/zinc/34/42/61/1132344261.db2.gz WNBVOINVAOEELM-HSMVNMDESA-N 0 1 297.801 3.521 20 0 CHADMN CC(=O)C1CCN([C@@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172857599 1132344704 /nfs/dbraw/zinc/34/47/04/1132344704.db2.gz QMFQIYOBJPVFKR-NSHDSACASA-N 0 1 297.801 3.711 20 0 CHADMN CN(CCc1ccccc1F)Cc1[nH]cnc1C(C)(C)C ZINC001142238685 1132352175 /nfs/dbraw/zinc/35/21/75/1132352175.db2.gz WRZMCWJMCUSNAZ-UHFFFAOYSA-N 0 1 289.398 3.521 20 0 CHADMN CC(C)Oc1ncccc1CN(C)[C@H]1CCc2ccccc21 ZINC001231760898 1132354132 /nfs/dbraw/zinc/35/41/32/1132354132.db2.gz PMVDQYZOQSWCQJ-SFHVURJKSA-N 0 1 296.414 3.988 20 0 CHADMN C[C@@H](CSc1ccc(Cl)cc1)N1CC2(CSC2)C1 ZINC001172884682 1132357675 /nfs/dbraw/zinc/35/76/75/1132357675.db2.gz FMWDWQXFHXHQPN-NSHDSACASA-N 0 1 299.892 3.869 20 0 CHADMN Cc1nc2cc(Nc3ccc(O)c(Cl)c3)ccc2[nH]1 ZINC001213074349 1132358644 /nfs/dbraw/zinc/35/86/44/1132358644.db2.gz QENYSPSECVYJMI-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN C[C@H](CSc1ccc(Cl)cc1)N(C)CCF ZINC001172884584 1132359230 /nfs/dbraw/zinc/35/92/30/1132359230.db2.gz FANLRSVUCUMXIP-SNVBAGLBSA-N 0 1 261.793 3.722 20 0 CHADMN Cc1ccccc1-c1ccccc1CN(C)C1(C)COC1 ZINC001231810109 1132367617 /nfs/dbraw/zinc/36/76/17/1132367617.db2.gz KNEOJGXUSUTVBT-UHFFFAOYSA-N 0 1 281.399 3.883 20 0 CHADMN CO[C@@H]1CCC[C@@H](N(CC(=O)c2ccccc2)C(C)C)C1 ZINC001172941241 1132367641 /nfs/dbraw/zinc/36/76/41/1132367641.db2.gz DRIQFQONDQHAQT-IAGOWNOFSA-N 0 1 289.419 3.537 20 0 CHADMN CO[C@@H]1CCC[C@H](N2CCc3c4ccccc4oc3C2)C1 ZINC001172949380 1132374666 /nfs/dbraw/zinc/37/46/66/1132374666.db2.gz JRHSDHRUSTWILS-UONOGXRCSA-N 0 1 285.387 3.749 20 0 CHADMN CCCOc1ncccc1CN(C)[C@@H]1CCc2ccccc21 ZINC001231865278 1132382585 /nfs/dbraw/zinc/38/25/85/1132382585.db2.gz LALXQIYGNGAHFN-GOSISDBHSA-N 0 1 296.414 3.990 20 0 CHADMN COc1cccc2c(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)c[nH]c21 ZINC001231899037 1132397141 /nfs/dbraw/zinc/39/71/41/1132397141.db2.gz JVNFTMVIPUGURS-BBRMVZONSA-N 0 1 284.403 3.941 20 0 CHADMN Cc1cc(F)ncc1CN1CCC[C@@H]1c1ccccc1 ZINC001231983730 1132405180 /nfs/dbraw/zinc/40/51/80/1132405180.db2.gz CHPKULOMPFXVAI-MRXNPFEDSA-N 0 1 270.351 3.866 20 0 CHADMN COc1cc(CN2Cc3ccccc3[C@@H](C)C2)ccc1O ZINC001204112203 1132406728 /nfs/dbraw/zinc/40/67/28/1132406728.db2.gz LHJILRSUGWYPRM-ZDUSSCGKSA-N 0 1 283.371 3.520 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)cc(C)n1 ZINC001232000397 1132406961 /nfs/dbraw/zinc/40/69/61/1132406961.db2.gz KURZPQBJMIYMNE-LJQANCHMSA-N 0 1 296.414 3.742 20 0 CHADMN Cc1cc(C[N@H+]2CCSC[C@@H]2c2ccccc2)cc(C)n1 ZINC001232000570 1132407456 /nfs/dbraw/zinc/40/74/56/1132407456.db2.gz OXUHZNRIMDKAOF-GOSISDBHSA-N 0 1 298.455 3.989 20 0 CHADMN Cc1cc(CN2CCSC[C@@H]2c2ccccc2)cc(C)n1 ZINC001232000570 1132407458 /nfs/dbraw/zinc/40/74/58/1132407458.db2.gz OXUHZNRIMDKAOF-GOSISDBHSA-N 0 1 298.455 3.989 20 0 CHADMN CN(Cc1cc(C(F)(F)F)cnc1Cl)CC1CCC1 ZINC001232009900 1132410071 /nfs/dbraw/zinc/41/00/71/1132410071.db2.gz UYJQHXXSQKSNSP-UHFFFAOYSA-N 0 1 292.732 3.986 20 0 CHADMN COc1cccc2[nH]cc(CN(C)Cc3ccc(C)nc3)c21 ZINC001232036991 1132412929 /nfs/dbraw/zinc/41/29/29/1132412929.db2.gz BZKHHJVAWKKLKT-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2c(Cl)n(C)nc2C(F)F)CC1 ZINC001232050716 1132415448 /nfs/dbraw/zinc/41/54/48/1132415448.db2.gz NAVLINFOOPKPGS-VIFPVBQESA-N 0 1 291.773 3.633 20 0 CHADMN C[C@H]1CCCN(Cc2c(Cl)n(C)nc2C(F)F)CC1 ZINC001232050716 1132415452 /nfs/dbraw/zinc/41/54/52/1132415452.db2.gz NAVLINFOOPKPGS-VIFPVBQESA-N 0 1 291.773 3.633 20 0 CHADMN CCc1ccc(C[C@H](C)N2CCc3oc(C)nc3C2)cc1 ZINC001173245703 1132417705 /nfs/dbraw/zinc/41/77/05/1132417705.db2.gz IGXOFLFRMZLEJZ-ZDUSSCGKSA-N 0 1 284.403 3.535 20 0 CHADMN CCC(C)(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001232078887 1132418313 /nfs/dbraw/zinc/41/83/13/1132418313.db2.gz IDJHRRZEJAJMTM-CALCHBBNSA-N 0 1 273.420 3.737 20 0 CHADMN C[C@H]1CCCN(Cc2cccc(C(F)(F)F)n2)[C@H]1C ZINC001232072324 1132418573 /nfs/dbraw/zinc/41/85/73/1132418573.db2.gz LFZACUBETILJEU-QWRGUYRKSA-N 0 1 272.314 3.721 20 0 CHADMN C[N@@H+](Cc1ccsc1)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142660216 1132419119 /nfs/dbraw/zinc/41/91/19/1132419119.db2.gz JNTISWBYSVFVMU-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142664016 1132420310 /nfs/dbraw/zinc/42/03/10/1132420310.db2.gz ZIAMOUIGZMWUNA-CQSZACIVSA-N 0 1 281.783 3.659 20 0 CHADMN CN(Cc1cccc2[nH]cnc21)Cc1ccccc1Cl ZINC001142687790 1132426863 /nfs/dbraw/zinc/42/68/63/1132426863.db2.gz XGOUHKWINWMTEB-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CCCC[C@@H](CC(C)C)N1CC(F)(F)C[C@]1(C)CO ZINC001173258658 1132426946 /nfs/dbraw/zinc/42/69/46/1132426946.db2.gz YDUGGLCNNJDGQZ-UONOGXRCSA-N 0 1 277.399 3.683 20 0 CHADMN COc1ccnc(Cl)c1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001232153959 1132427242 /nfs/dbraw/zinc/42/72/42/1132427242.db2.gz DJPGOEROWWATOI-AAEUAGOBSA-N 0 1 280.799 3.508 20 0 CHADMN CCCC[C@H](CC(C)C)N1CCn2c(cnc2C)C1 ZINC001173261582 1132429156 /nfs/dbraw/zinc/42/91/56/1132429156.db2.gz PHLWZTKGEJWCBB-OAHLLOKOSA-N 0 1 263.429 3.612 20 0 CHADMN Clc1ccc2c(c1)CN(Cc1cccc3nc[nH]c31)C2 ZINC001142693253 1132430455 /nfs/dbraw/zinc/43/04/55/1132430455.db2.gz XKJRUJVSGZMYDR-UHFFFAOYSA-N 0 1 283.762 3.732 20 0 CHADMN C[C@H]1CCCN(Cc2nc(Cl)ccc2F)C[C@H]1C ZINC001232156184 1132430445 /nfs/dbraw/zinc/43/04/45/1132430445.db2.gz YAJBWINPTLDPPS-WDEREUQCSA-N 0 1 270.779 3.742 20 0 CHADMN CC[C@H]1CC[C@H](NC2(c3cccc(Cl)c3)COC2)C1 ZINC001173265269 1132431633 /nfs/dbraw/zinc/43/16/33/1132431633.db2.gz HVHZGBHMDDXLAI-WFASDCNBSA-N 0 1 279.811 3.734 20 0 CHADMN COc1ccccc1C1CCN(Cc2ccns2)CC1 ZINC001232191900 1132433706 /nfs/dbraw/zinc/43/37/06/1132433706.db2.gz MXDXDJVCYCRIJE-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN CCN(Cc1ccccn1)Cc1ccnc2c(F)cccc12 ZINC001232212593 1132437063 /nfs/dbraw/zinc/43/70/63/1132437063.db2.gz WHZOIEDPPHGHKL-UHFFFAOYSA-N 0 1 295.361 3.791 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)cc2[nH]1 ZINC001142732822 1132437587 /nfs/dbraw/zinc/43/75/87/1132437587.db2.gz MHCFVTVMAYPGDY-GDNZZTSVSA-N 0 1 297.402 3.845 20 0 CHADMN CN(Cc1cccn1Cc1ccccc1)C[C@@H]1CCCCO1 ZINC001232233658 1132441324 /nfs/dbraw/zinc/44/13/24/1132441324.db2.gz KKVHQRGTZUWUHR-IBGZPJMESA-N 0 1 298.430 3.537 20 0 CHADMN CCc1ccc(C[C@@H](C)n2c3ccccc3nc2CN)cc1 ZINC001173240375 1132441849 /nfs/dbraw/zinc/44/18/49/1132441849.db2.gz YIBUSDZBRRGRNF-CQSZACIVSA-N 0 1 293.414 3.861 20 0 CHADMN CC[C@H]1CC[C@@H](n2cncc2CNCc2ccccc2)C1 ZINC001173295174 1132444141 /nfs/dbraw/zinc/44/41/41/1132444141.db2.gz QDDIPOMZQIZODL-DOTOQJQBSA-N 0 1 283.419 3.924 20 0 CHADMN c1coc(CN(Cc2nccc3ccccc32)C2CC2)c1 ZINC001232252188 1132444769 /nfs/dbraw/zinc/44/47/69/1132444769.db2.gz LYLNFWCNHXAXFG-UHFFFAOYSA-N 0 1 278.355 3.992 20 0 CHADMN C[C@H]1C(=O)N(CN(C)CCC(C)(C)C)[C@H]1c1ccccc1 ZINC000842631328 1132446053 /nfs/dbraw/zinc/44/60/53/1132446053.db2.gz MRWCSSZXTHTGFV-GDBMZVCRSA-N 0 1 288.435 3.532 20 0 CHADMN CCCCC[C@](C)(CC)c1nc([C@H]2CCCN2)no1 ZINC000842637987 1132447109 /nfs/dbraw/zinc/44/71/09/1132447109.db2.gz UZHDGEDIZTUQBB-DOMZBBRYSA-N 0 1 265.401 3.742 20 0 CHADMN CC[C@@H](C)c1ccc(-c2nc([C@@H]3CCCN3)no2)cc1 ZINC000842637999 1132447643 /nfs/dbraw/zinc/44/76/43/1132447643.db2.gz HPLMDJVRXGLJBK-RISCZKNCSA-N 0 1 271.364 3.675 20 0 CHADMN FC(F)[C@@H]1CCCN(Cc2cc(Cl)cs2)C1 ZINC001232282088 1132448840 /nfs/dbraw/zinc/44/88/40/1132448840.db2.gz WXSNBOMDOPOVFT-MRVPVSSYSA-N 0 1 265.756 3.879 20 0 CHADMN CCSC[C@@H](C)N1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001173309953 1132449803 /nfs/dbraw/zinc/44/98/03/1132449803.db2.gz UZOJRZGDRJNKEH-IJEWVQPXSA-N 0 1 279.449 3.590 20 0 CHADMN CCOc1ncc(CN(C)Cc2cccc(C)c2)cc1C ZINC001232303171 1132450123 /nfs/dbraw/zinc/45/01/23/1132450123.db2.gz VJEWOAAMMHVBQY-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN CCSC[C@H](C)N1CCO[C@@](C)(c2ccc(C)cc2)C1 ZINC001173312638 1132450981 /nfs/dbraw/zinc/45/09/81/1132450981.db2.gz VBBKKQSEJFEEPB-DOTOQJQBSA-N 0 1 293.476 3.684 20 0 CHADMN CC[C@H]1CC[C@H](N2CCOC[C@H]2c2ccc(F)cc2)C1 ZINC001173282471 1132454438 /nfs/dbraw/zinc/45/44/38/1132454438.db2.gz GNYYELBKJRXJQI-JQFCIGGWSA-N 0 1 277.383 3.778 20 0 CHADMN CC[C@@H]1CC[C@H](N2CCc3c([nH]nc3C(F)(F)F)C2)C1 ZINC001173283494 1132454539 /nfs/dbraw/zinc/45/45/39/1132454539.db2.gz MBISTCQNKSOBIZ-GBIKHYSHSA-N 0 1 287.329 3.922 20 0 CHADMN CC[C@@H]1CC[C@H](N2Cc3cnc(Cl)cc3C2)C1 ZINC001173283088 1132454602 /nfs/dbraw/zinc/45/46/02/1132454602.db2.gz JJGCNUCXFYLXEA-MFKMUULPSA-N 0 1 250.773 3.629 20 0 CHADMN CC[C@@H]1CC[C@@H](N2CCc3c([nH]nc3C(F)(F)F)C2)C1 ZINC001173283491 1132454917 /nfs/dbraw/zinc/45/49/17/1132454917.db2.gz MBISTCQNKSOBIZ-BREBYQMCSA-N 0 1 287.329 3.922 20 0 CHADMN COc1ccc(CN2CCc3ccccc3[C@H]2C)c(C)n1 ZINC001232330555 1132455559 /nfs/dbraw/zinc/45/55/59/1132455559.db2.gz GAIPXVAMRZJVKX-CQSZACIVSA-N 0 1 282.387 3.518 20 0 CHADMN CCSC[C@@H](C)NCc1c(F)cc(Cl)cc1F ZINC001173286533 1132457719 /nfs/dbraw/zinc/45/77/19/1132457719.db2.gz ATZXSCZPFAXPMF-MRVPVSSYSA-N 0 1 279.783 3.849 20 0 CHADMN COc1cc(CN2C[C@@H](C)C[C@H](C)C2)c(OC)cc1Cl ZINC001232373594 1132461027 /nfs/dbraw/zinc/46/10/27/1132461027.db2.gz GRKJNHWSRLSYGY-RYUDHWBXSA-N 0 1 297.826 3.835 20 0 CHADMN COc1ccc(OC(C)C)c(C[N@H+]2CCC[C@H](CF)C2)c1 ZINC001232391032 1132464552 /nfs/dbraw/zinc/46/45/52/1132464552.db2.gz RRIDGUYEQXSMTH-CQSZACIVSA-N 0 1 295.398 3.664 20 0 CHADMN CC(=O)C1CCN(Cc2cc(C)ccc2OC(C)C)CC1 ZINC001232398333 1132465214 /nfs/dbraw/zinc/46/52/14/1132465214.db2.gz FYUCMHZLKXYNGW-UHFFFAOYSA-N 0 1 289.419 3.583 20 0 CHADMN Cc1c(F)cc(C[N@H+]2CCC[C@H](F)CC2)cc1F ZINC001232420319 1132467088 /nfs/dbraw/zinc/46/70/88/1132467088.db2.gz PIWOQNWBYHGHTN-LBPRGKRZSA-N 0 1 257.299 3.597 20 0 CHADMN Cc1c(F)cc(CN2CCC[C@H](F)CC2)cc1F ZINC001232420319 1132467092 /nfs/dbraw/zinc/46/70/92/1132467092.db2.gz PIWOQNWBYHGHTN-LBPRGKRZSA-N 0 1 257.299 3.597 20 0 CHADMN Fc1ccc2nc(CN3CCCC4(CCCC4)C3)cn2c1 ZINC001232412045 1132467405 /nfs/dbraw/zinc/46/74/05/1132467405.db2.gz WUUXHCVRRVEMCW-UHFFFAOYSA-N 0 1 287.382 3.630 20 0 CHADMN C[C@H](NC/C=C\c1ccccc1)c1cc2n(n1)CCCC2 ZINC000842841079 1132467966 /nfs/dbraw/zinc/46/79/66/1132467966.db2.gz SHJGVPOMYYMDIL-XMELGKRDSA-N 0 1 281.403 3.583 20 0 CHADMN Fc1ccc2nc(CN3CCC[C@H]3c3ccccc3)cn2c1 ZINC001232413935 1132468075 /nfs/dbraw/zinc/46/80/75/1132468075.db2.gz YVVUIZBRKVTMNM-KRWDZBQOSA-N 0 1 295.361 3.811 20 0 CHADMN CCN(Cc1n[nH]c2c1CCC2)Cc1cccc(Cl)c1 ZINC001232433327 1132468895 /nfs/dbraw/zinc/46/88/95/1132468895.db2.gz WJLGEYFFKKWXLY-UHFFFAOYSA-N 0 1 289.810 3.574 20 0 CHADMN C[C@@H]1CN(CCCSc2ccccc2Cl)C[C@H](C)O1 ZINC000110797177 1132469148 /nfs/dbraw/zinc/46/91/48/1132469148.db2.gz WLGVKOYXYRAEJX-BETUJISGSA-N 0 1 299.867 3.931 20 0 CHADMN COc1cccc(CN(C)Cc2cc(F)c(C)c(F)c2)c1 ZINC001232423415 1132470231 /nfs/dbraw/zinc/47/02/31/1132470231.db2.gz PZSIQZYTTUYBQT-UHFFFAOYSA-N 0 1 291.341 3.914 20 0 CHADMN CC1(C)CCN(Cc2ccc(C(F)(F)F)o2)CC1 ZINC001232443627 1132471130 /nfs/dbraw/zinc/47/11/30/1132471130.db2.gz FWVVIAZEGIWRMR-UHFFFAOYSA-N 0 1 261.287 3.920 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(C(F)(F)F)o1 ZINC001232443725 1132472186 /nfs/dbraw/zinc/47/21/86/1132472186.db2.gz HQWMHLCHZWQINV-VHSXEESVSA-N 0 1 261.287 3.919 20 0 CHADMN c1c(CN2CCC3(CC3)CC2)onc1OCc1ccccc1 ZINC001232444303 1132472300 /nfs/dbraw/zinc/47/23/00/1132472300.db2.gz BHDQPDJUNMLMOO-UHFFFAOYSA-N 0 1 298.386 3.630 20 0 CHADMN FC(F)(F)c1ccc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)o1 ZINC001232442000 1132472378 /nfs/dbraw/zinc/47/23/78/1132472378.db2.gz VDDHIYIWMNRRKP-DTORHVGOSA-N 0 1 295.251 3.776 20 0 CHADMN Cc1ncc(CN2CCC[C@H]2c2cccc(Cl)c2)[nH]1 ZINC001232465186 1132473505 /nfs/dbraw/zinc/47/35/05/1132473505.db2.gz XXIHZDBCPUEHSE-HNNXBMFYSA-N 0 1 275.783 3.709 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2c[nH]c3nccc(Cl)c23)C1 ZINC001232455828 1132474311 /nfs/dbraw/zinc/47/43/11/1132474311.db2.gz HVVQFPPNYRYRJF-OAHLLOKOSA-N 0 1 295.789 3.930 20 0 CHADMN CCCN(Cc1ccccc1)Cc1cc(F)ccn1 ZINC001232494403 1132479318 /nfs/dbraw/zinc/47/93/18/1132479318.db2.gz RCHKAXDILGYOTN-UHFFFAOYSA-N 0 1 258.340 3.633 20 0 CHADMN COc1cc(Cl)ccc1CN1CCC[C@H](CF)C1 ZINC001232499801 1132481411 /nfs/dbraw/zinc/48/14/11/1132481411.db2.gz QBUOQYYBXMLHOY-LLVKDONJSA-N 0 1 271.763 3.530 20 0 CHADMN Nc1ccc(F)cc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC001232508032 1132481937 /nfs/dbraw/zinc/48/19/37/1132481937.db2.gz UYVWFNVBIBNBJJ-QGZVFWFLSA-N 0 1 288.341 3.884 20 0 CHADMN Cc1c(Br)cncc1CN1CC[C@@H](C)C[C@@H]1C ZINC001232530560 1132483489 /nfs/dbraw/zinc/48/34/89/1132483489.db2.gz AABJANPEJHQPIR-MNOVXSKESA-N 0 1 297.240 3.773 20 0 CHADMN Cc1c(Br)cncc1CN1CCCCC[C@@H]1C ZINC001232533777 1132483601 /nfs/dbraw/zinc/48/36/01/1132483601.db2.gz UOMHNXJVKYMHJG-NSHDSACASA-N 0 1 297.240 3.917 20 0 CHADMN Cc1c(Br)cncc1CN1[C@H](C)CCC[C@@H]1C ZINC001232526929 1132483830 /nfs/dbraw/zinc/48/38/30/1132483830.db2.gz DTXJULQCWURBRS-PHIMTYICSA-N 0 1 297.240 3.915 20 0 CHADMN CCN(Cc1ccccc1)Cc1cccc(CF)n1 ZINC001232535910 1132484103 /nfs/dbraw/zinc/48/41/03/1132484103.db2.gz PINZKHVRBDBNAC-UHFFFAOYSA-N 0 1 258.340 3.573 20 0 CHADMN Cc1c(Br)cncc1CN1CCCCC[C@H]1C ZINC001232533776 1132484261 /nfs/dbraw/zinc/48/42/61/1132484261.db2.gz UOMHNXJVKYMHJG-LLVKDONJSA-N 0 1 297.240 3.917 20 0 CHADMN CCN(Cc1ccccc1)Cc1cc2ccoc2cn1 ZINC001232552414 1132485172 /nfs/dbraw/zinc/48/51/72/1132485172.db2.gz YUILPOSJIUYCEC-UHFFFAOYSA-N 0 1 266.344 3.850 20 0 CHADMN CCc1ccc(CN(C)Cc2cccn3ccnc23)cc1 ZINC001142960990 1132487014 /nfs/dbraw/zinc/48/70/14/1132487014.db2.gz AKRDMUSQADSPLV-UHFFFAOYSA-N 0 1 279.387 3.529 20 0 CHADMN COC(=O)c1ccc(CN(CC2CC2)C2CC2)c(Cl)c1 ZINC001232583016 1132488877 /nfs/dbraw/zinc/48/88/77/1132488877.db2.gz ILKHXPNDJGGTLV-UHFFFAOYSA-N 0 1 293.794 3.501 20 0 CHADMN Fc1cc2c(cc1F)CC(N1CC(c3ccccc3)C1)C2 ZINC001173488655 1132489624 /nfs/dbraw/zinc/48/96/24/1132489624.db2.gz YWHGUOYKOBEOCP-UHFFFAOYSA-N 0 1 285.337 3.531 20 0 CHADMN CCN(Cc1ccc(-n2cccn2)cc1Cl)C1CC1 ZINC001232598053 1132490727 /nfs/dbraw/zinc/49/07/27/1132490727.db2.gz OJEUMXHMFWNAMF-UHFFFAOYSA-N 0 1 275.783 3.510 20 0 CHADMN CC1(C)OC[C@@H]2C[C@@]21NCc1cc(Cl)ccc1Cl ZINC001203127821 1132491407 /nfs/dbraw/zinc/49/14/07/1132491407.db2.gz OZQGFMOZBLBTKF-IINYFYTJSA-N 0 1 286.202 3.651 20 0 CHADMN Fc1nccc(Cl)c1CN1C2CCCC1CCC2 ZINC001232619717 1132497342 /nfs/dbraw/zinc/49/73/42/1132497342.db2.gz ZAIBARHIZBMUPB-UHFFFAOYSA-N 0 1 268.763 3.781 20 0 CHADMN CC[C@@H](C)c1ccc(-c2nc([C@@H](N)C(C)C)no2)cc1 ZINC000843149205 1132497953 /nfs/dbraw/zinc/49/79/53/1132497953.db2.gz JJQGDCBGWBYIJF-RISCZKNCSA-N 0 1 273.380 3.906 20 0 CHADMN CC(C)[C@H](N)c1noc(C(C)(C)c2cccc(Cl)c2)n1 ZINC000843149424 1132498411 /nfs/dbraw/zinc/49/84/11/1132498411.db2.gz NCORAIRMLZAVHI-LBPRGKRZSA-N 0 1 293.798 3.705 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H]2C[C@H]2c2cccc(Cl)c2)n1 ZINC000843154135 1132498529 /nfs/dbraw/zinc/49/85/29/1132498529.db2.gz NMLAAFJFZSEIRK-XQQFMLRXSA-N 0 1 291.782 3.650 20 0 CHADMN [O-]c1c(Cl)ccc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c1Cl ZINC001232629886 1132498843 /nfs/dbraw/zinc/49/88/43/1132498843.db2.gz ZNNCLBBEJIXLOI-KCJUWKMLSA-N 0 1 272.175 3.683 20 0 CHADMN [O-]c1c(Cl)ccc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c1Cl ZINC001232629886 1132498846 /nfs/dbraw/zinc/49/88/46/1132498846.db2.gz ZNNCLBBEJIXLOI-KCJUWKMLSA-N 0 1 272.175 3.683 20 0 CHADMN Clc1ccc2c(c1)CCN(Cc1cccc3n[nH]cc31)C2 ZINC001143096589 1132499491 /nfs/dbraw/zinc/49/94/91/1132499491.db2.gz BASNCSBBLCKJTE-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN Cc1nc(CN2CCCCC[C@H]2C)ccc1Br ZINC001232668242 1132503205 /nfs/dbraw/zinc/50/32/05/1132503205.db2.gz ZUBQSAMKKDDYPK-LLVKDONJSA-N 0 1 297.240 3.917 20 0 CHADMN C[C@@H]1CCCN(Cc2occc2Br)C[C@H]1C ZINC001143116789 1132504110 /nfs/dbraw/zinc/50/41/10/1132504110.db2.gz UIFBZTDEWNIQIE-GHMZBOCLSA-N 0 1 286.213 3.910 20 0 CHADMN CCC(CC)N(C)Cc1occc1Br ZINC001143129029 1132506084 /nfs/dbraw/zinc/50/60/84/1132506084.db2.gz XKSVLXIVWHSPOI-UHFFFAOYSA-N 0 1 260.175 3.663 20 0 CHADMN CCCO[C@H]1CCN(Cc2cc3ccc(Cl)cc3[nH]2)C1 ZINC001232728126 1132509244 /nfs/dbraw/zinc/50/92/44/1132509244.db2.gz ARZYKUVOQOVQLY-HNNXBMFYSA-N 0 1 292.810 3.822 20 0 CHADMN c1ccc2c(c1)CCC21CCC(N2CC3(C2)CCCO3)CC1 ZINC001173688699 1132509559 /nfs/dbraw/zinc/50/95/59/1132509559.db2.gz WJDOWLXARWDQRJ-UHFFFAOYSA-N 0 1 297.442 3.678 20 0 CHADMN c1cc2c(s1)CCN(Cc1cccc3ncsc31)C2 ZINC001232730799 1132509530 /nfs/dbraw/zinc/50/95/30/1132509530.db2.gz SAGWBBNVAFZOLI-UHFFFAOYSA-N 0 1 286.425 3.916 20 0 CHADMN C[N@@H+](CCOc1ccccc1)Cc1ccc2ncsc2c1 ZINC001232742506 1132513330 /nfs/dbraw/zinc/51/33/30/1132513330.db2.gz XNFYMZYXSNXMPT-UHFFFAOYSA-N 0 1 298.411 3.807 20 0 CHADMN Cc1c(Cl)nccc1CN(C)Cc1ccc(F)cc1 ZINC001232747838 1132514672 /nfs/dbraw/zinc/51/46/72/1132514672.db2.gz DHTSPDCIHQTYCS-UHFFFAOYSA-N 0 1 278.758 3.815 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccccc1C ZINC001173814882 1132518498 /nfs/dbraw/zinc/51/84/98/1132518498.db2.gz GLRUPYWKWOXQKK-UHFFFAOYSA-N 0 1 255.296 3.834 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1cc2cccnc2[nH]1 ZINC001143212684 1132519682 /nfs/dbraw/zinc/51/96/82/1132519682.db2.gz XQRMIBIIQKGQTG-CYBMUJFWSA-N 0 1 277.371 3.682 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1ccc(C(F)F)cc1 ZINC001143251994 1132524243 /nfs/dbraw/zinc/52/42/43/1132524243.db2.gz JGEUKFBDMLQJQT-AWEZNQCLSA-N 0 1 267.319 3.568 20 0 CHADMN CCOc1ccc(CN2C[C@H](C)CC23CC3)c(F)c1F ZINC001143279972 1132528567 /nfs/dbraw/zinc/52/85/67/1132528567.db2.gz HIFOALSOVVCESF-LLVKDONJSA-N 0 1 281.346 3.738 20 0 CHADMN COc1c(F)ccc(CN2CCC3(CCCC3)C2)c1F ZINC001143317794 1132535566 /nfs/dbraw/zinc/53/55/66/1132535566.db2.gz CKMGGNUENPUCTG-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN Cc1cc(O)cc(CN2CCC(Oc3ccccc3)CC2)c1 ZINC001232880084 1132536190 /nfs/dbraw/zinc/53/61/90/1132536190.db2.gz LXCUPFBUHZETHU-UHFFFAOYSA-N 0 1 297.398 3.744 20 0 CHADMN CC(=O)[C@@H]1CCCN(Cc2cncc(-c3ccccc3)c2)C1 ZINC001232902620 1132539115 /nfs/dbraw/zinc/53/91/15/1132539115.db2.gz ODYDLEVHPCCUBC-GOSISDBHSA-N 0 1 294.398 3.550 20 0 CHADMN Cc1cc(CN2CCCCC[C@H]2C)ncc1Br ZINC001232904951 1132541051 /nfs/dbraw/zinc/54/10/51/1132541051.db2.gz ONSXSHLFVGUDDA-GFCCVEGCSA-N 0 1 297.240 3.917 20 0 CHADMN C[N@@H+](Cc1ccc(F)c([O-])c1F)[C@@H]1CCc2ccccc21 ZINC001232938500 1132544747 /nfs/dbraw/zinc/54/47/47/1132544747.db2.gz DSFUFFIVPKIGOP-OAHLLOKOSA-N 0 1 289.325 3.790 20 0 CHADMN CCC(CC)[N@@H+](CC)Cc1ccc(F)c([O-])c1F ZINC001232936761 1132546340 /nfs/dbraw/zinc/54/63/40/1132546340.db2.gz FWRIICQQBVGPAF-UHFFFAOYSA-N 0 1 257.324 3.681 20 0 CHADMN FC(F)(F)[C@@H]1CCCN(Cc2ccc3ncoc3c2)C1 ZINC001232942443 1132547909 /nfs/dbraw/zinc/54/79/09/1132547909.db2.gz YRHSFQVJHTWJQU-LLVKDONJSA-N 0 1 284.281 3.602 20 0 CHADMN Nc1cc2ccccc2n1-c1ccc(Cl)c(O)c1F ZINC001214796267 1132550934 /nfs/dbraw/zinc/55/09/34/1132550934.db2.gz MJCFXEKILPKCOU-UHFFFAOYSA-N 0 1 276.698 3.711 20 0 CHADMN Nc1cc(Cl)ncc1Nc1ccc(Cl)c(O)c1F ZINC001214793947 1132551858 /nfs/dbraw/zinc/55/18/58/1132551858.db2.gz QCGSDZOBQUXTIP-UHFFFAOYSA-N 0 1 288.109 3.559 20 0 CHADMN Cc1ncc(F)cc1CN(C)C/C=C/c1ccccc1 ZINC001232991450 1132558325 /nfs/dbraw/zinc/55/83/25/1132558325.db2.gz ZZFNVIUNGGNACV-RMKNXTFCSA-N 0 1 270.351 3.674 20 0 CHADMN CCCCCN(C)Cc1sccc1C(=O)OCC ZINC001233018360 1132562601 /nfs/dbraw/zinc/56/26/01/1132562601.db2.gz VAJUASZUGRFLHD-UHFFFAOYSA-N 0 1 269.410 3.547 20 0 CHADMN CCOC(=O)c1ccsc1CN1[C@H](C)CCC[C@H]1C ZINC001233017338 1132562764 /nfs/dbraw/zinc/56/27/64/1132562764.db2.gz GNODESGULRMZPG-VXGBXAGGSA-N 0 1 281.421 3.688 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCCC2(CCC2)C1 ZINC001233022819 1132565269 /nfs/dbraw/zinc/56/52/69/1132565269.db2.gz DIVNNHZXKFLCFP-UHFFFAOYSA-N 0 1 293.432 3.691 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCC2(CCCC2)C1 ZINC001233020785 1132565543 /nfs/dbraw/zinc/56/55/43/1132565543.db2.gz SJTMCHKRKSIEOE-UHFFFAOYSA-N 0 1 293.432 3.691 20 0 CHADMN [O-]c1cnc(Cl)cc1C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001233039130 1132565636 /nfs/dbraw/zinc/56/56/36/1132565636.db2.gz NHIRNUJJIQNEAQ-CYBMUJFWSA-N 0 1 294.826 3.843 20 0 CHADMN [O-]c1cnc(Cl)cc1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001233039130 1132565641 /nfs/dbraw/zinc/56/56/41/1132565641.db2.gz NHIRNUJJIQNEAQ-CYBMUJFWSA-N 0 1 294.826 3.843 20 0 CHADMN CN(Cc1cccc(O)c1F)[C@H]1CCc2ccccc21 ZINC001233055573 1132566806 /nfs/dbraw/zinc/56/68/06/1132566806.db2.gz UCTPHFRSWNORNW-HNNXBMFYSA-N 0 1 271.335 3.651 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c1F ZINC001233052732 1132567286 /nfs/dbraw/zinc/56/72/86/1132567286.db2.gz VCGRBMWOAZRDBU-HNNXBMFYSA-N 0 1 285.362 3.911 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)c1F ZINC001233052732 1132567292 /nfs/dbraw/zinc/56/72/92/1132567292.db2.gz VCGRBMWOAZRDBU-HNNXBMFYSA-N 0 1 285.362 3.911 20 0 CHADMN CCC[C@@H]1CCCC[N@@H+]1Cc1cccc([O-])c1F ZINC001233053852 1132568432 /nfs/dbraw/zinc/56/84/32/1132568432.db2.gz UQBWDTLERRLWNG-CYBMUJFWSA-N 0 1 251.345 3.686 20 0 CHADMN Fc1ccc2c(c1)n[nH]c2CN1CCC[C@H]2CCCC[C@@H]21 ZINC001233122595 1132572336 /nfs/dbraw/zinc/57/23/36/1132572336.db2.gz BXYCFQKPCPERNC-PXAZEXFGSA-N 0 1 287.382 3.857 20 0 CHADMN CC1(C)CN(Cc2[nH]nc3cc(F)ccc32)CCC1(F)F ZINC001233119618 1132573118 /nfs/dbraw/zinc/57/31/18/1132573118.db2.gz NOCYICUHBJLPTO-UHFFFAOYSA-N 0 1 297.324 3.569 20 0 CHADMN CCN(Cc1cccs1)Cc1cnc(C)c(C)c1 ZINC001233160932 1132573719 /nfs/dbraw/zinc/57/37/19/1132573719.db2.gz LJHFIUOCTICODH-UHFFFAOYSA-N 0 1 260.406 3.782 20 0 CHADMN C(=Cc1ccccc1)N=c1[nH]sc2ncccc21 ZINC001173871494 1132574244 /nfs/dbraw/zinc/57/42/44/1132574244.db2.gz JYPAMQPQMJLSJZ-CSKARUKUSA-N 0 1 253.330 3.774 20 0 CHADMN CC(C)(C)[C@H]1CC[C@@H](NC(=O)c2ccn3cncc3c2)CC1 ZINC001151909256 1132576122 /nfs/dbraw/zinc/57/61/22/1132576122.db2.gz FFTIYIMLOOWACQ-GASCZTMLSA-N 0 1 299.418 3.669 20 0 CHADMN CC[C@@H]1CCN(Cc2cc(Cl)cnc2OC(C)C)C1 ZINC001233169132 1132576545 /nfs/dbraw/zinc/57/65/45/1132576545.db2.gz KIYTVKABDSNFFJ-GFCCVEGCSA-N 0 1 282.815 3.754 20 0 CHADMN CCN(Cc1cc(Cl)cnc1OC(C)C)C(C)C ZINC001233164767 1132576702 /nfs/dbraw/zinc/57/67/02/1132576702.db2.gz IKUVSFQYYATCEY-UHFFFAOYSA-N 0 1 270.804 3.753 20 0 CHADMN CCCCN(C)Cc1cc(Cl)cnc1OC(C)C ZINC001233164970 1132577411 /nfs/dbraw/zinc/57/74/11/1132577411.db2.gz OEANWRHXVZLKGG-UHFFFAOYSA-N 0 1 270.804 3.754 20 0 CHADMN Fc1c(Cl)ccc(CN2C[C@@H]3CCC[C@@H]3C2)c1F ZINC001233206967 1132580916 /nfs/dbraw/zinc/58/09/16/1132580916.db2.gz FYXHUWSHNLXPJS-AOOOYVTPSA-N 0 1 271.738 3.850 20 0 CHADMN Cc1cccc(-c2ccc(CN3CCO[C@@H](C)C3)cc2)c1 ZINC001233223556 1132582061 /nfs/dbraw/zinc/58/20/61/1132582061.db2.gz NGLNCSBKKQBHPW-INIZCTEOSA-N 0 1 281.399 3.883 20 0 CHADMN COc1cc(Br)cc(CN2CCCC[C@@H]2C)c1 ZINC001233214114 1132582178 /nfs/dbraw/zinc/58/21/78/1132582178.db2.gz WDQVFLFCJBXKDV-NSHDSACASA-N 0 1 298.224 3.832 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1ccc(C)c(O)c1 ZINC001233234553 1132587275 /nfs/dbraw/zinc/58/72/75/1132587275.db2.gz XWWHADOAYLVEKD-CQSZACIVSA-N 0 1 285.387 3.902 20 0 CHADMN Cc1ccc(Cl)cc1CN1CC[C@@H]2CCCO[C@H]2C1 ZINC001233248362 1132587859 /nfs/dbraw/zinc/58/78/59/1132587859.db2.gz ISPMDVXVPNUFTC-BBRMVZONSA-N 0 1 279.811 3.649 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@H]2CCC=CCCC2)c1 ZINC001152947513 1132588098 /nfs/dbraw/zinc/58/80/98/1132588098.db2.gz UUXSXBSBIWYTRM-ZDUSSCGKSA-N 0 1 287.359 3.670 20 0 CHADMN Cc1ccc(Cl)cc1CN1CC[C@H]2CCCO[C@H]2C1 ZINC001233248363 1132589067 /nfs/dbraw/zinc/58/90/67/1132589067.db2.gz ISPMDVXVPNUFTC-CJNGLKHVSA-N 0 1 279.811 3.649 20 0 CHADMN Fc1ccc2c(c1)C[N@@H+](Cc1ccc([S-])cc1)C2 ZINC001233261349 1132590890 /nfs/dbraw/zinc/59/08/90/1132590890.db2.gz LTEVAQJACKIEER-UHFFFAOYSA-N 0 1 259.349 3.630 20 0 CHADMN Fc1ccc2c(c1)C[N@H+](Cc1ccc([S-])cc1)C2 ZINC001233261349 1132590894 /nfs/dbraw/zinc/59/08/94/1132590894.db2.gz LTEVAQJACKIEER-UHFFFAOYSA-N 0 1 259.349 3.630 20 0 CHADMN [S-]c1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC001233258540 1132590908 /nfs/dbraw/zinc/59/09/08/1132590908.db2.gz ISBOJIWBPIIZBP-INIZCTEOSA-N 0 1 270.401 3.707 20 0 CHADMN Cc1ccccc1O[C@H]1CC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233261180 1132591128 /nfs/dbraw/zinc/59/11/28/1132591128.db2.gz GAUGQWKLDSUIEL-INIZCTEOSA-N 0 1 299.439 3.937 20 0 CHADMN COc1ccccc1[C@H]1CCCN1Cc1cc(C)ns1 ZINC001233312477 1132596647 /nfs/dbraw/zinc/59/66/47/1132596647.db2.gz UYOJJCHMRCJXQF-OAHLLOKOSA-N 0 1 288.416 3.797 20 0 CHADMN Cc1cc(CN2Cc3ccccc3[C@H](C)C2)sn1 ZINC001233310061 1132598092 /nfs/dbraw/zinc/59/80/92/1132598092.db2.gz PBQWNJQERMNJIL-LLVKDONJSA-N 0 1 258.390 3.571 20 0 CHADMN CC(=O)c1ccc(Nc2cc(C)nn2-c2ccncc2)cc1 ZINC001173896109 1132600092 /nfs/dbraw/zinc/60/00/92/1132600092.db2.gz LALICVZIPAGQEY-UHFFFAOYSA-N 0 1 292.342 3.522 20 0 CHADMN c1ccc(Cc2ccc(CN3CC4(CSC4)C3)cc2)cc1 ZINC001233331885 1132600940 /nfs/dbraw/zinc/60/09/40/1132600940.db2.gz OUNCLLKFVZZUHW-UHFFFAOYSA-N 0 1 295.451 3.826 20 0 CHADMN CC(=O)c1ccc(Nc2cc(O)c(F)c(F)c2)cc1 ZINC001173897105 1132601307 /nfs/dbraw/zinc/60/13/07/1132601307.db2.gz PCFYCGSOWZYXSK-UHFFFAOYSA-N 0 1 263.243 3.617 20 0 CHADMN FC(F)C1CN(Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001233331784 1132603102 /nfs/dbraw/zinc/60/31/02/1132603102.db2.gz KPCHFGRRLDELDP-UHFFFAOYSA-N 0 1 287.353 3.974 20 0 CHADMN CSc1cccc(Cl)c1CN1CCCO[C@H](C)C1 ZINC001233350464 1132604255 /nfs/dbraw/zinc/60/42/55/1132604255.db2.gz IGBCXDARWLIXOB-LLVKDONJSA-N 0 1 285.840 3.673 20 0 CHADMN COc1cc(F)c(CN2CCC23CCCCC3)cc1F ZINC001233341176 1132605559 /nfs/dbraw/zinc/60/55/59/1132605559.db2.gz GJSDQMLIXHYAKR-UHFFFAOYSA-N 0 1 281.346 3.882 20 0 CHADMN Cc1ccc(C[N@@H+](C)Cc2cc3cccnc3s2)cn1 ZINC001233349059 1132607426 /nfs/dbraw/zinc/60/74/26/1132607426.db2.gz BYEUQKDOPTYTIR-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN Cc1ccc(CN(C)Cc2cc3cccnc3s2)cn1 ZINC001233349059 1132607430 /nfs/dbraw/zinc/60/74/30/1132607430.db2.gz BYEUQKDOPTYTIR-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN Cc1ncccc1C[N@@H+](C)Cc1cc2cccnc2s1 ZINC001233349162 1132608156 /nfs/dbraw/zinc/60/81/56/1132608156.db2.gz GZRBVLPWRKIAIQ-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN Cc1ncccc1CN(C)Cc1cc2cccnc2s1 ZINC001233349162 1132608161 /nfs/dbraw/zinc/60/81/61/1132608161.db2.gz GZRBVLPWRKIAIQ-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN CC[N@@H+](Cc1c(Cl)cccc1SC)CC(C)(C)O ZINC001233352985 1132609504 /nfs/dbraw/zinc/60/95/04/1132609504.db2.gz BMTABMFQZWSHER-UHFFFAOYSA-N 0 1 287.856 3.655 20 0 CHADMN CCN(Cc1c(Cl)cccc1SC)CC(C)(C)O ZINC001233352985 1132609507 /nfs/dbraw/zinc/60/95/07/1132609507.db2.gz BMTABMFQZWSHER-UHFFFAOYSA-N 0 1 287.856 3.655 20 0 CHADMN CC[N@H+]1CCN(Cc2c(Cl)cccc2SC)[C@H](C)C1 ZINC001233353957 1132609604 /nfs/dbraw/zinc/60/96/04/1132609604.db2.gz PKYATMZNHKJVPT-GFCCVEGCSA-N 0 1 298.883 3.588 20 0 CHADMN Clc1cccc2ncc(CN3CCCCCCC3)n21 ZINC001233359208 1132609900 /nfs/dbraw/zinc/60/99/00/1132609900.db2.gz MSKXWBTWJFKLJZ-UHFFFAOYSA-N 0 1 277.799 3.754 20 0 CHADMN C[C@@H]1CCCCC[N@H+]1Cc1cnc2cccc(Cl)n12 ZINC001233358424 1132610261 /nfs/dbraw/zinc/61/02/61/1132610261.db2.gz GTQOAPMEOWMFNO-GFCCVEGCSA-N 0 1 277.799 3.752 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cnc2cccc(Cl)n12 ZINC001233358424 1132610265 /nfs/dbraw/zinc/61/02/65/1132610265.db2.gz GTQOAPMEOWMFNO-GFCCVEGCSA-N 0 1 277.799 3.752 20 0 CHADMN CCCC1CCN(Cc2cnc3cccc(Cl)n23)CC1 ZINC001233358590 1132610392 /nfs/dbraw/zinc/61/03/92/1132610392.db2.gz MWHUJXGKFMIKLZ-UHFFFAOYSA-N 0 1 291.826 4.000 20 0 CHADMN CSc1cccc(Cl)c1CN1CC[N@@H+](C)C(C)(C)C1 ZINC001233352875 1132610468 /nfs/dbraw/zinc/61/04/68/1132610468.db2.gz XBHDLOOHFMYCLO-UHFFFAOYSA-N 0 1 298.883 3.588 20 0 CHADMN Cc1ncc(CN(Cc2ccccc2)C2CCC2)o1 ZINC001233368271 1132611759 /nfs/dbraw/zinc/61/17/59/1132611759.db2.gz HHAZZJXXVQTCQU-UHFFFAOYSA-N 0 1 256.349 3.538 20 0 CHADMN CN(Cc1ccc(Cl)cc1)Cc1cc(F)c(F)cc1N ZINC001233380751 1132613735 /nfs/dbraw/zinc/61/37/35/1132613735.db2.gz BYPQZUIAEHXWNT-UHFFFAOYSA-N 0 1 296.748 3.832 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1cc(F)c(F)cc1N ZINC001233381760 1132614070 /nfs/dbraw/zinc/61/40/70/1132614070.db2.gz QTDADGCLXIJKRR-VMPITWQZSA-N 0 1 288.341 3.692 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1c(F)ccc(O)c1F ZINC001233395591 1132617042 /nfs/dbraw/zinc/61/70/42/1132617042.db2.gz DOXSIOMHRULDPE-LLVKDONJSA-N 0 1 269.335 3.825 20 0 CHADMN [O-]c1ccc(F)c(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c1F ZINC001233395987 1132617340 /nfs/dbraw/zinc/61/73/40/1132617340.db2.gz CPPQMYDSEFDJDL-SMDDNHRTSA-N 0 1 281.346 3.825 20 0 CHADMN [O-]c1ccc(F)c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c1F ZINC001233395987 1132617344 /nfs/dbraw/zinc/61/73/44/1132617344.db2.gz CPPQMYDSEFDJDL-SMDDNHRTSA-N 0 1 281.346 3.825 20 0 CHADMN Clc1ncnc(Cl)c1CN1CCC[C@@H]2CCC[C@H]21 ZINC001233410226 1132617830 /nfs/dbraw/zinc/61/78/30/1132617830.db2.gz DWMMELBXQZOINK-GXSJLCMTSA-N 0 1 286.206 3.548 20 0 CHADMN C[C@@H]1CN(Cc2ccsc2Br)C2(CC2)C1 ZINC001233481685 1132627845 /nfs/dbraw/zinc/62/78/45/1132627845.db2.gz BOWTWCFROGXTQW-VIFPVBQESA-N 0 1 286.238 3.885 20 0 CHADMN c1c(-c2ccccc2)nn(C2CCC2)c1Nc1ccncc1 ZINC001173882596 1132623886 /nfs/dbraw/zinc/62/38/86/1132623886.db2.gz QZFFYVVNDMTZKJ-UHFFFAOYSA-N 0 1 290.370 3.836 20 0 CHADMN CC(C)(C)n1nc(-c2ccccc2)cc1Nc1ccncc1 ZINC001173881884 1132624087 /nfs/dbraw/zinc/62/40/87/1132624087.db2.gz FQNZDNGMENNDAS-UHFFFAOYSA-N 0 1 292.386 3.866 20 0 CHADMN Cc1ccc(Cl)c(Cl)c1Nc1ccncc1 ZINC001173885111 1132625004 /nfs/dbraw/zinc/62/50/04/1132625004.db2.gz JMLZRWRPKSNVPZ-UHFFFAOYSA-N 0 1 253.132 3.862 20 0 CHADMN Cc1ncc(CNC(C)(C)c2ccnc(Cl)c2)s1 ZINC001154801229 1132625837 /nfs/dbraw/zinc/62/58/37/1132625837.db2.gz XDXCVRPKQKIKRJ-UHFFFAOYSA-N 0 1 281.812 3.525 20 0 CHADMN Fc1cc(OCc2ccccc2)ccc1Nc1nnco1 ZINC001173965776 1132636208 /nfs/dbraw/zinc/63/62/08/1132636208.db2.gz UGZKUYILPVTNMC-UHFFFAOYSA-N 0 1 285.278 3.531 20 0 CHADMN CC(C)Oc1ccnc(NCc2cn(C)c3ccccc23)c1 ZINC001155287191 1132652494 /nfs/dbraw/zinc/65/24/94/1132652494.db2.gz VHBKDRNRZWOPFS-UHFFFAOYSA-N 0 1 295.386 3.973 20 0 CHADMN Cc1cc(CN2CCC(=O)[C@@H]3CCCC[C@H]32)sc1C ZINC001233656138 1132657770 /nfs/dbraw/zinc/65/77/70/1132657770.db2.gz RZJMCGXYHWKBAO-HUUCEWRRSA-N 0 1 277.433 3.699 20 0 CHADMN CCCCc1ccc(-c2noc(-c3cnccc3N)n2)cc1 ZINC001212998102 1132659325 /nfs/dbraw/zinc/65/93/25/1132659325.db2.gz JWRJCEQZXRKMBR-UHFFFAOYSA-N 0 1 294.358 3.554 20 0 CHADMN Clc1c(Br)cncc1NC1=CCCC1 ZINC001173997970 1132669651 /nfs/dbraw/zinc/66/96/51/1132669651.db2.gz YQAAMLPQDXJVGO-UHFFFAOYSA-N 0 1 273.561 3.977 20 0 CHADMN Cc1cc(C)cc(CNc2cc(Cl)nc3[nH]cnc32)c1 ZINC001155898870 1132671197 /nfs/dbraw/zinc/67/11/97/1132671197.db2.gz UNPBSQFXOKWETJ-UHFFFAOYSA-N 0 1 286.766 3.840 20 0 CHADMN Cc1cnc(N(C)CC/C=C/c2cccnc2)cc1C ZINC001155977324 1132674661 /nfs/dbraw/zinc/67/46/61/1132674661.db2.gz SIVJXPWBPDOAAY-QPJJXVBHSA-N 0 1 267.376 3.633 20 0 CHADMN CC(C)Oc1ccnc(N(C)CC/C=C/c2cccnc2)c1 ZINC001155977110 1132675332 /nfs/dbraw/zinc/67/53/32/1132675332.db2.gz PCJPZAFBQMMPQD-QPJJXVBHSA-N 0 1 297.402 3.804 20 0 CHADMN O=C(Nc1ccc(C2CCC2)cc1)[C@@H]1CCN1C1CCCC1 ZINC001156102176 1132682177 /nfs/dbraw/zinc/68/21/77/1132682177.db2.gz NKZBUEAYODZXTG-SFHVURJKSA-N 0 1 298.430 3.910 20 0 CHADMN C[C@@H]1CCC[C@H](CNC(=O)c2ccc(Cl)c(O)c2)[C@H]1C ZINC001156207936 1132687419 /nfs/dbraw/zinc/68/74/19/1132687419.db2.gz VUOCKEOABCRZAT-NTZNESFSSA-N 0 1 295.810 3.848 20 0 CHADMN COc1ccc2cnc(NCCCc3ccncc3)cc2c1 ZINC001156407752 1132692647 /nfs/dbraw/zinc/69/26/47/1132692647.db2.gz RABLFDUXGAGGLX-UHFFFAOYSA-N 0 1 293.370 3.683 20 0 CHADMN COc1ccc2c(ccnc2N2C[C@@H](C)CC23CC3)c1 ZINC001156412669 1132694102 /nfs/dbraw/zinc/69/41/02/1132694102.db2.gz SIJLUBVDSFBYFF-LBPRGKRZSA-N 0 1 268.360 3.622 20 0 CHADMN Cn1cncc1Nc1ccccc1OCc1ccccc1 ZINC001174024578 1132699075 /nfs/dbraw/zinc/69/90/75/1132699075.db2.gz RMFXNKQECFSWRE-UHFFFAOYSA-N 0 1 279.343 3.743 20 0 CHADMN CCOc1ccc2cc(Nc3ccncc3)ccc2c1 ZINC001174106750 1132723084 /nfs/dbraw/zinc/72/30/84/1132723084.db2.gz RATPQSRNTBXOIH-UHFFFAOYSA-N 0 1 264.328 3.799 20 0 CHADMN Cc1cc([C@H]2CCCCN2C(=O)[C@H](C)c2ccccc2)n[nH]1 ZINC001157200211 1132724102 /nfs/dbraw/zinc/72/41/02/1132724102.db2.gz LBALLYSBBLPRAU-RHSMWYFYSA-N 0 1 297.402 3.575 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)c1cccc(N(C)C)n1 ZINC001157367709 1132729220 /nfs/dbraw/zinc/72/92/20/1132729220.db2.gz JYPXPPKJIQVROD-GFCCVEGCSA-N 0 1 289.810 3.998 20 0 CHADMN CCOc1ccnc(N[C@@H](c2ccccn2)C(F)(F)F)c1 ZINC001157684561 1132739449 /nfs/dbraw/zinc/73/94/49/1132739449.db2.gz PUKXLIBPWHTLNQ-ZDUSSCGKSA-N 0 1 297.280 3.591 20 0 CHADMN CCCc1ccc(CNc2ncc(C)cc2N)cc1 ZINC001157828778 1132744865 /nfs/dbraw/zinc/74/48/65/1132744865.db2.gz BMPXXYLPNOKFFD-UHFFFAOYSA-N 0 1 255.365 3.537 20 0 CHADMN c1ccc2c(c1)NCC[C@@H]2Nc1ccc2c(n1)CCCC2 ZINC001157833472 1132746493 /nfs/dbraw/zinc/74/64/93/1132746493.db2.gz DSLPHNTYIQGIAE-KRWDZBQOSA-N 0 1 279.387 3.929 20 0 CHADMN CC[C@@H](C)C[C@H](C)Nc1nc[nH]c2nc(=S)sc1-2 ZINC001157887479 1132753526 /nfs/dbraw/zinc/75/35/26/1132753526.db2.gz MPFPSYSLKNZNLJ-SFYZADRCSA-N 0 1 282.438 3.612 20 0 CHADMN Cc1cnc(NCCOc2cccc3ccccc32)c(N)c1 ZINC001158151884 1132764426 /nfs/dbraw/zinc/76/44/26/1132764426.db2.gz IYSCSHIZWWAQEN-UHFFFAOYSA-N 0 1 293.370 3.616 20 0 CHADMN CCCC[C@@H](CC)CC(=O)N1CCN([C@@H](C)CC)CC1 ZINC001158145238 1132764467 /nfs/dbraw/zinc/76/44/67/1132764467.db2.gz LLLLGUUAZCUOIZ-JKSUJKDBSA-N 0 1 282.472 3.536 20 0 CHADMN CC(=O)c1ccc(Nc2ccc3nccn3c2)c(Cl)c1 ZINC001174279929 1132769816 /nfs/dbraw/zinc/76/98/16/1132769816.db2.gz OCCOVJHLIAHUQC-UHFFFAOYSA-N 0 1 285.734 3.934 20 0 CHADMN CSc1ccc(Nc2ccc3nccn3c2)c(F)c1 ZINC001174280268 1132770269 /nfs/dbraw/zinc/77/02/69/1132770269.db2.gz SDFWZADKYIVMQY-UHFFFAOYSA-N 0 1 273.336 3.939 20 0 CHADMN FC1(F)CCC[C@H](Nc2nc3[nH]cnc3cc2Cl)C1 ZINC001158335047 1132770477 /nfs/dbraw/zinc/77/04/77/1132770477.db2.gz FTNYPVCDXWPLDG-ZETCQYMHSA-N 0 1 286.713 3.601 20 0 CHADMN CC[C@@H]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(O)c1 ZINC001158375974 1132772487 /nfs/dbraw/zinc/77/24/87/1132772487.db2.gz JDHKXSIADZNEQI-PWSUYJOCSA-N 0 1 281.783 3.602 20 0 CHADMN Cc1ccc(CCCNc2ccc3c(n2)CCCC3)cn1 ZINC001158372922 1132773150 /nfs/dbraw/zinc/77/31/50/1132773150.db2.gz DAJQVWUWBBJYIN-UHFFFAOYSA-N 0 1 281.403 3.709 20 0 CHADMN Cc1cnc(N[C@@H](C2CCC2)C(F)(F)F)cc1C ZINC001158400922 1132774479 /nfs/dbraw/zinc/77/44/79/1132774479.db2.gz ISYGSSHTLKDZDG-LBPRGKRZSA-N 0 1 258.287 3.841 20 0 CHADMN Cc1c(F)ccc(Nc2ccc3nccn3c2)c1F ZINC001174277608 1132785102 /nfs/dbraw/zinc/78/51/02/1132785102.db2.gz IHOJPKZEUVRKKZ-UHFFFAOYSA-N 0 1 259.259 3.665 20 0 CHADMN c1ccn(-c2ccc(Nc3ccc4nccn4c3)cc2)c1 ZINC001174276723 1132786085 /nfs/dbraw/zinc/78/60/85/1132786085.db2.gz LFWTZXWXBIUIPY-UHFFFAOYSA-N 0 1 274.327 3.869 20 0 CHADMN CCOc1ccccc1OCCNc1ncc(C)cc1C ZINC001158820603 1132793900 /nfs/dbraw/zinc/79/39/00/1132793900.db2.gz HPLNJCDAPYEGNQ-UHFFFAOYSA-N 0 1 286.375 3.588 20 0 CHADMN FC(F)(F)Oc1ccncc1Nc1cccc2[nH]ncc21 ZINC001174342815 1132799435 /nfs/dbraw/zinc/79/94/35/1132799435.db2.gz FNTCBUANXRXJBS-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN Brc1ncc(Nc2cccc3[nH]ncc32)s1 ZINC001174342431 1132799683 /nfs/dbraw/zinc/79/96/83/1132799683.db2.gz BCHKLJVQEPFHEL-UHFFFAOYSA-N 0 1 295.165 3.526 20 0 CHADMN Fc1ccc2ncc(Nc3cccc4[nH]ncc43)cc2c1 ZINC001174343368 1132800986 /nfs/dbraw/zinc/80/09/86/1132800986.db2.gz QREYSRKHDJBJKL-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN COc1ccc2cc(Nc3cccc4[nH]ncc43)cnc2c1 ZINC001174343932 1132801543 /nfs/dbraw/zinc/80/15/43/1132801543.db2.gz ULCPYUZFWRUHMX-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN COc1cc2cccnc2c(Nc2cccc3[nH]ncc32)c1 ZINC001174343973 1132802211 /nfs/dbraw/zinc/80/22/11/1132802211.db2.gz HXPLAXYAGLYYQS-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN Cc1nc(Cl)c(Nc2cccc3[nH]ncc32)c(Cl)n1 ZINC001174343338 1132802302 /nfs/dbraw/zinc/80/23/02/1132802302.db2.gz MBXLITSUJGMMCS-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1nc(Cl)nc(Cl)c1Nc1cccc2[nH]ncc21 ZINC001174343604 1132802927 /nfs/dbraw/zinc/80/29/27/1132802927.db2.gz WRXGUWVJNLVUND-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN CC(=O)n1ccc2cc(Nc3cccc4[nH]ncc43)ccc21 ZINC001174345000 1132804317 /nfs/dbraw/zinc/80/43/17/1132804317.db2.gz JBDMRNHJMYNDRL-UHFFFAOYSA-N 0 1 290.326 3.921 20 0 CHADMN Nc1cc(F)cc(Cl)c1Nc1cccc2[nH]ncc21 ZINC001174345204 1132804483 /nfs/dbraw/zinc/80/44/83/1132804483.db2.gz NOLHCSRMKVYZBS-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN Cc1cc2nsnc2cc1Nc1cccc2[nH]ncc21 ZINC001174344960 1132805103 /nfs/dbraw/zinc/80/51/03/1132805103.db2.gz GWIRERITZTVLSN-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Fc1ccc(Cl)c([N-]c2cc([C@H]3CCC[NH2+]3)no2)c1F ZINC001159308118 1132827485 /nfs/dbraw/zinc/82/74/85/1132827485.db2.gz GUONNUUZAYKIJS-SECBINFHSA-N 0 1 299.708 3.774 20 0 CHADMN Fc1cccc(F)c1Nc1cc([C@H]2CCCCN2)no1 ZINC001159309194 1132828418 /nfs/dbraw/zinc/82/84/18/1132828418.db2.gz QVXFCFDWTCKWKW-LLVKDONJSA-N 0 1 279.290 3.511 20 0 CHADMN Fc1cccc(F)c1[N-]c1cc([C@H]2CCCC[NH2+]2)no1 ZINC001159309194 1132828425 /nfs/dbraw/zinc/82/84/25/1132828425.db2.gz QVXFCFDWTCKWKW-LLVKDONJSA-N 0 1 279.290 3.511 20 0 CHADMN Cc1cccc(Nc2cc([C@@H]3CCCCN3)no2)c1F ZINC001159314116 1132829421 /nfs/dbraw/zinc/82/94/21/1132829421.db2.gz XZSYPNCWKDRNAL-NSHDSACASA-N 0 1 275.327 3.680 20 0 CHADMN Cc1cc(F)c(Nc2cc([C@H]3CCCCN3)no2)cc1F ZINC001159312212 1132829611 /nfs/dbraw/zinc/82/96/11/1132829611.db2.gz YYYKRJQYUYWGFB-GFCCVEGCSA-N 0 1 293.317 3.819 20 0 CHADMN Oc1cc(Cl)ccc1Nc1cc([C@H]2CCCCN2)no1 ZINC001159313510 1132830510 /nfs/dbraw/zinc/83/05/10/1132830510.db2.gz PWDSUDQPOPQNKL-SNVBAGLBSA-N 0 1 293.754 3.592 20 0 CHADMN COc1ccc2c(c1)C[C@@H](Nc1cc(C)c(C)cn1)CC2 ZINC001159360666 1132832834 /nfs/dbraw/zinc/83/28/34/1132832834.db2.gz MXFZRJHSVSQUCY-INIZCTEOSA-N 0 1 282.387 3.676 20 0 CHADMN Cc1cc(Nc2ccnn2-c2ccncc2)c(C)s1 ZINC001174418997 1132835948 /nfs/dbraw/zinc/83/59/48/1132835948.db2.gz BCHPGLIPUHPSHF-UHFFFAOYSA-N 0 1 270.361 3.689 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2c1NCC2 ZINC001159458492 1132848291 /nfs/dbraw/zinc/84/82/91/1132848291.db2.gz WARHMIZTGAJSAQ-UHFFFAOYSA-N 0 1 264.332 3.583 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccc2c1NCC2 ZINC001159457839 1132848320 /nfs/dbraw/zinc/84/83/20/1132848320.db2.gz KVYNOYHNIAWHBN-UHFFFAOYSA-N 0 1 291.354 3.955 20 0 CHADMN c1cc(Nc2ccc3occc3c2)n(-c2ccncc2)n1 ZINC001174416434 1132855011 /nfs/dbraw/zinc/85/50/11/1132855011.db2.gz MMHVVUZLAYCKCO-UHFFFAOYSA-N 0 1 276.299 3.757 20 0 CHADMN Fc1ccc(C(F)(F)F)c(Nc2nonc2C2CC2)c1 ZINC001174484503 1132856872 /nfs/dbraw/zinc/85/68/72/1132856872.db2.gz IKMKEGYQBQCMLS-UHFFFAOYSA-N 0 1 287.216 3.849 20 0 CHADMN Nc1nc2ccccc2n1-c1cc(F)ccc1C(F)(F)F ZINC001174485573 1132858055 /nfs/dbraw/zinc/85/80/55/1132858055.db2.gz UWYAUMCNOFFLLU-UHFFFAOYSA-N 0 1 295.239 3.766 20 0 CHADMN c1n[nH]c2cc(Nc3cc(-c4ccccc4)no3)ccc12 ZINC001174498384 1132863382 /nfs/dbraw/zinc/86/33/82/1132863382.db2.gz CGUIFABKBSMZKH-UHFFFAOYSA-N 0 1 276.299 3.962 20 0 CHADMN c1cc2cc(Nc3cccc4[nH]ncc43)cnc2s1 ZINC001159574318 1132864340 /nfs/dbraw/zinc/86/43/40/1132864340.db2.gz BPVALUVERCJMRO-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN Brc1nc(Nc2ccc3cn[nH]c3c2)cs1 ZINC001174497905 1132864997 /nfs/dbraw/zinc/86/49/97/1132864997.db2.gz ARXQMZIYHPNCAP-UHFFFAOYSA-N 0 1 295.165 3.526 20 0 CHADMN CCOc1ccc(Nc2cccc3[nH]ncc32)c(F)c1F ZINC001159574078 1132865170 /nfs/dbraw/zinc/86/51/70/1132865170.db2.gz JSFXUANCEOOZFZ-UHFFFAOYSA-N 0 1 289.285 3.983 20 0 CHADMN Fc1cc(F)c(F)c(Nc2cccc3[nH]ncc32)c1 ZINC001159574554 1132865286 /nfs/dbraw/zinc/86/52/86/1132865286.db2.gz GYJIWSHTJSBKEH-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN COc1cc(Cl)cc(Nc2cccc3[nH]ncc32)c1 ZINC001159573846 1132865549 /nfs/dbraw/zinc/86/55/49/1132865549.db2.gz AUEPIPOOLMRSCH-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN CCOc1cc(F)c(Nc2cccc3[nH]ncc32)cc1F ZINC001159574701 1132866009 /nfs/dbraw/zinc/86/60/09/1132866009.db2.gz VBCMDOHNSSEKPY-UHFFFAOYSA-N 0 1 289.285 3.983 20 0 CHADMN Fc1cccc2cc(Nc3ccc4c[nH]nc4c3)cnc12 ZINC001174499438 1132866351 /nfs/dbraw/zinc/86/63/51/1132866351.db2.gz WDHTXCGMWGNAPJ-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Oc1ccc(Cl)cc1Nc1cccc2[nH]ncc21 ZINC001159575339 1132867529 /nfs/dbraw/zinc/86/75/29/1132867529.db2.gz XGLYFMDWVGCRQT-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN c1n[nH]c2cc(Nc3cc(Cc4ccccc4)no3)ccc12 ZINC001174499787 1132873493 /nfs/dbraw/zinc/87/34/93/1132873493.db2.gz XGQOXPQRYDKJJY-UHFFFAOYSA-N 0 1 290.326 3.885 20 0 CHADMN Cc1cccc2ccnc(NCc3cccc4ccnn43)c12 ZINC001159617549 1132875773 /nfs/dbraw/zinc/87/57/73/1132875773.db2.gz MBOGEWONRDSKGR-UHFFFAOYSA-N 0 1 288.354 3.803 20 0 CHADMN COc1cc(C)c(C)cc1Nc1ccc2c[nH]nc2c1 ZINC001159663175 1132886725 /nfs/dbraw/zinc/88/67/25/1132886725.db2.gz STIQRQPFOLACNV-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1cc(Nc2ccc3c[nH]nc3c2)ccc1N(C)C ZINC001159663133 1132887273 /nfs/dbraw/zinc/88/72/73/1132887273.db2.gz QSKMMFYKDWDPHH-UHFFFAOYSA-N 0 1 266.348 3.681 20 0 CHADMN Oc1ccc(Cl)c(Nc2ccc3c[nH]nc3c2)c1F ZINC001159662800 1132887389 /nfs/dbraw/zinc/88/73/89/1132887389.db2.gz FHNWNRQBXUCNNA-UHFFFAOYSA-N 0 1 277.686 3.805 20 0 CHADMN CCOc1c(Cl)cc(Nc2cncn2C)cc1Cl ZINC001174533437 1132895986 /nfs/dbraw/zinc/89/59/86/1132895986.db2.gz GVHSDSWFQGNFPW-UHFFFAOYSA-N 0 1 286.162 3.869 20 0 CHADMN CC(=O)c1cc(Nc2ccc3c[nH]nc3c2)cc(C(C)=O)c1 ZINC001174500916 1132903453 /nfs/dbraw/zinc/90/34/53/1132903453.db2.gz UIMHJRKQAPNUAD-UHFFFAOYSA-N 0 1 293.326 3.712 20 0 CHADMN Fc1ccc(Nc2ccc3c[nH]nc3c2)c2ccncc12 ZINC001174501154 1132903461 /nfs/dbraw/zinc/90/34/61/1132903461.db2.gz XJXKEDAGOLMSQQ-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN COc1cccc(Nc2ccc3c[nH]nc3c2)c1C ZINC001174501923 1132903540 /nfs/dbraw/zinc/90/35/40/1132903540.db2.gz NQPVRLUPKSBEEM-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN COc1ccc2ccc(Nc3ccc4c[nH]nc4c3)cc2n1 ZINC001174502717 1132903969 /nfs/dbraw/zinc/90/39/69/1132903969.db2.gz YVPRFSJMKBLRPR-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN COC(=O)c1c(C)ccc(Nc2ccc3c[nH]nc3c2)c1F ZINC001174502371 1132904195 /nfs/dbraw/zinc/90/41/95/1132904195.db2.gz MCTIXPHHJFDUNF-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1cc(C)nc(Nc2cccc(-c3cc[nH]n3)c2)c1 ZINC001174506108 1132904813 /nfs/dbraw/zinc/90/48/13/1132904813.db2.gz DFNUGMIVXYSWGX-UHFFFAOYSA-N 0 1 264.332 3.832 20 0 CHADMN COc1cc(Nc2cccc(-c3cc[nH]n3)c2)ncc1C ZINC001174507746 1132905799 /nfs/dbraw/zinc/90/57/99/1132905799.db2.gz BMPILBPIGNKGNN-UHFFFAOYSA-N 0 1 280.331 3.532 20 0 CHADMN Cc1c(Cl)cc(NC2=C[C@H]3CC[C@@H](C2)[NH2+]3)c([O-])c1Cl ZINC001159789516 1132909444 /nfs/dbraw/zinc/90/94/44/1132909444.db2.gz BOIWHFHPIIURMQ-BDAKNGLRSA-N 0 1 299.201 3.828 20 0 CHADMN COC(=O)c1cccc([C@@H](C)Nc2ccc(C)c(C)n2)c1 ZINC001159954125 1132926841 /nfs/dbraw/zinc/92/68/41/1132926841.db2.gz FRIIZEFKPGZNHR-CYBMUJFWSA-N 0 1 284.359 3.658 20 0 CHADMN COC(=O)c1c(C)cc(Nc2ccc3nc[nH]c3c2)cc1C ZINC001160224552 1132949446 /nfs/dbraw/zinc/94/94/46/1132949446.db2.gz SQTIWCZMSZJJBT-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN CCOc1cc(Nc2ccc3nc[nH]c3c2)c(Cl)cn1 ZINC001160224555 1132949584 /nfs/dbraw/zinc/94/95/84/1132949584.db2.gz SSRCZVYWBXEWJA-UHFFFAOYSA-N 0 1 288.738 3.754 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(C)ccc3N)ccc12 ZINC001160331036 1132962925 /nfs/dbraw/zinc/96/29/25/1132962925.db2.gz BBVHDBUMXXMBFV-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN CCCC[C@@H](CC)CCCN(C)Cc1nc(C)cc(=O)[nH]1 ZINC001174724934 1132966958 /nfs/dbraw/zinc/96/69/58/1132966958.db2.gz LDPGCJNNJBOYCZ-OAHLLOKOSA-N 0 1 293.455 3.919 20 0 CHADMN COc1ccnc(N[C@@H](CC(C)C)c2ccccn2)c1 ZINC001160482520 1132971583 /nfs/dbraw/zinc/97/15/83/1132971583.db2.gz KJTRERMBDHUWIV-HNNXBMFYSA-N 0 1 271.364 3.685 20 0 CHADMN CCOc1ccnc(N[C@@H](c2ccccc2)C2(O)CCC2)c1 ZINC001160535972 1132974662 /nfs/dbraw/zinc/97/46/62/1132974662.db2.gz JZIKEMCJYSKLNX-KRWDZBQOSA-N 0 1 298.386 3.549 20 0 CHADMN COC1CCC(CCNc2ccc3c(n2)CCCC3)CC1 ZINC001160641994 1132976751 /nfs/dbraw/zinc/97/67/51/1132976751.db2.gz GUTLNHWSIXBQPM-UHFFFAOYSA-N 0 1 288.435 3.968 20 0 CHADMN CCN1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 ZINC001161190856 1132995458 /nfs/dbraw/zinc/99/54/58/1132995458.db2.gz CBOCFUTUGGUGEO-IXDOHACOSA-N 0 1 294.483 3.582 20 0 CHADMN CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(F)cc2O)CC1 ZINC001161191513 1132995510 /nfs/dbraw/zinc/99/55/10/1132995510.db2.gz KBCALGLBMGQJGK-TZMCWYRMSA-N 0 1 293.382 3.866 20 0 CHADMN CC1(C)C[C@@H](CNc2ccc3c(n2)CCCC3)CCO1 ZINC001161424747 1133000114 /nfs/dbraw/zinc/00/01/14/1133000114.db2.gz IVEXQOKMDXDNKY-ZDUSSCGKSA-N 0 1 274.408 3.578 20 0 CHADMN CC(C)(C)c1coc(NC(=O)c2cc(Cl)ccc2O)n1 ZINC001161593905 1133007787 /nfs/dbraw/zinc/00/77/87/1133007787.db2.gz KIMCUXDXWJGQKR-UHFFFAOYSA-N 0 1 294.738 3.583 20 0 CHADMN COc1cc2cnc(N[C@@H]3CC=CCC3)cc2cc1OC ZINC001161754745 1133024541 /nfs/dbraw/zinc/02/45/41/1133024541.db2.gz VCERRGHSBHRYIJ-CQSZACIVSA-N 0 1 284.359 3.773 20 0 CHADMN CCOc1ccnc(N[C@H](c2cncc(F)c2)C2CC2)c1 ZINC001161815662 1133031518 /nfs/dbraw/zinc/03/15/18/1133031518.db2.gz RIHGXTLPUQHIFJ-INIZCTEOSA-N 0 1 287.338 3.578 20 0 CHADMN c1ccc([C@H](Nc2cccc3[nH]nnc32)C2CC2)cc1 ZINC001161963124 1133043797 /nfs/dbraw/zinc/04/37/97/1133043797.db2.gz VJDHFJUBVOIJFA-HNNXBMFYSA-N 0 1 264.332 3.521 20 0 CHADMN Cc1c2nc[nH]c2ccc1NCc1nc2ccccc2o1 ZINC001161969001 1133045227 /nfs/dbraw/zinc/04/52/27/1133045227.db2.gz LUCLRZCEFXFNHT-UHFFFAOYSA-N 0 1 278.315 3.625 20 0 CHADMN CCCCNc1cc(OCc2ccccc2)ccn1 ZINC001162201138 1133058890 /nfs/dbraw/zinc/05/88/90/1133058890.db2.gz GFEHSXJIKHLFQA-UHFFFAOYSA-N 0 1 256.349 3.873 20 0 CHADMN CC(F)(F)CNc1ccnc2ccc(C(F)(F)F)cc21 ZINC001162233335 1133062127 /nfs/dbraw/zinc/06/21/27/1133062127.db2.gz WBQKCZTXMCSPLT-UHFFFAOYSA-N 0 1 290.235 3.743 20 0 CHADMN Cc1occc1CN(C)c1ccncc1C(F)(F)F ZINC001162327131 1133068965 /nfs/dbraw/zinc/06/89/65/1133068965.db2.gz QIBCWWVVGNSDCE-UHFFFAOYSA-N 0 1 270.254 3.638 20 0 CHADMN CC(C)(C)Oc1ccnc(N[C@@H]2CCCC[C@H]2F)c1 ZINC001162513646 1133083873 /nfs/dbraw/zinc/08/38/73/1133083873.db2.gz AYFMLAYARWSECC-CHWSQXEVSA-N 0 1 266.360 3.952 20 0 CHADMN Cc1nc2cncc(NC[C@@H]3CCCC[C@@H]3C)c2[nH]1 ZINC001162529460 1133089002 /nfs/dbraw/zinc/08/90/02/1133089002.db2.gz ALGHOPBJXNRTHH-JQWIXIFHSA-N 0 1 258.369 3.505 20 0 CHADMN CC(C)(Nc1cncc2cc[nH]c21)C(=O)c1ccccc1 ZINC001162637494 1133097525 /nfs/dbraw/zinc/09/75/25/1133097525.db2.gz LKDVLLRTENMMBA-UHFFFAOYSA-N 0 1 279.343 3.636 20 0 CHADMN COc1cc(F)cc2ccc(NC(=N)C(C)(C)C)nc21 ZINC001162661693 1133101518 /nfs/dbraw/zinc/10/15/18/1133101518.db2.gz HDKYEWBGKYQLDX-UHFFFAOYSA-N 0 1 275.327 3.818 20 0 CHADMN Cc1ccc(NC[C@@H](O)c2cc3ccccc3o2)nc1C ZINC001162696080 1133104167 /nfs/dbraw/zinc/10/41/67/1133104167.db2.gz VBCBQLUSSKBLNN-CQSZACIVSA-N 0 1 282.343 3.590 20 0 CHADMN Cc1cnccc1CNc1cc(OC(C)(C)C)ccn1 ZINC001162723358 1133106755 /nfs/dbraw/zinc/10/67/55/1133106755.db2.gz GPGOIRBWYBTJNV-UHFFFAOYSA-N 0 1 271.364 3.574 20 0 CHADMN Cc1ccc(C)c(NCc2ccc(C(F)(F)F)n2C)n1 ZINC001162750110 1133108882 /nfs/dbraw/zinc/10/88/82/1133108882.db2.gz BQWBGAJINCFXOM-UHFFFAOYSA-N 0 1 283.297 3.668 20 0 CHADMN Cn1ccc2c1nccc2NCc1cn(C)c2ccccc12 ZINC001162834849 1133116034 /nfs/dbraw/zinc/11/60/34/1133116034.db2.gz JIYSLMUFZFQXSD-UHFFFAOYSA-N 0 1 290.370 3.677 20 0 CHADMN Cc1ccc(N[C@@H](c2ccccc2)c2cccnn2)nc1C ZINC001163102529 1133130644 /nfs/dbraw/zinc/13/06/44/1133130644.db2.gz OUYXTTIUWCHAHW-SFHVURJKSA-N 0 1 290.370 3.690 20 0 CHADMN Cc1cnc(N[C@@H]2CCc3c2cccc3O)cc1C ZINC001163194449 1133135416 /nfs/dbraw/zinc/13/54/16/1133135416.db2.gz CNJQURRHMGFGGL-CQSZACIVSA-N 0 1 254.333 3.503 20 0 CHADMN FC(F)(F)c1cnccc1NCc1coc2ccccc12 ZINC001163364398 1133144577 /nfs/dbraw/zinc/14/45/77/1133144577.db2.gz RTQDHPPGAJNLRD-UHFFFAOYSA-N 0 1 292.260 3.881 20 0 CHADMN S=c1nc2[nH]cnc(N[C@@H]3CCCC34CCC4)c-2s1 ZINC001163521889 1133155942 /nfs/dbraw/zinc/15/59/42/1133155942.db2.gz VATNOFXJMUYDLB-MRVPVSSYSA-N 0 1 292.433 3.510 20 0 CHADMN FC(F)(F)c1cnccc1NC[C@H]1C[C@@H]1c1ccccc1 ZINC001163591014 1133161769 /nfs/dbraw/zinc/16/17/69/1133161769.db2.gz ORCNXLJDUCCXAU-CHWSQXEVSA-N 0 1 292.304 3.738 20 0 CHADMN Cc1cc(C)cc(CNc2ncnc3[nH]c(C(C)C)nc32)c1 ZINC001163747897 1133171139 /nfs/dbraw/zinc/17/11/39/1133171139.db2.gz XEYQDGPVVJTTSK-UHFFFAOYSA-N 0 1 295.390 3.705 20 0 CHADMN Cc1nc2cc(NCCOc3ccccc3F)ccc2[nH]1 ZINC001163956488 1133188568 /nfs/dbraw/zinc/18/85/68/1133188568.db2.gz NDHKPVHSSJSBLS-UHFFFAOYSA-N 0 1 285.322 3.501 20 0 CHADMN COc1ccc(O[C@@H](C)CNc2nc(C)ccc2C)cc1 ZINC001164041770 1133193803 /nfs/dbraw/zinc/19/38/03/1133193803.db2.gz NFOQVORUXUQYFX-AWEZNQCLSA-N 0 1 286.375 3.586 20 0 CHADMN Cc1cc2ccccc2c(N2CC[C@H](CF)C(F)(F)C2)n1 ZINC001164095087 1133197000 /nfs/dbraw/zinc/19/70/00/1133197000.db2.gz JPPPGCDIQRQZIJ-CYBMUJFWSA-N 0 1 294.320 3.974 20 0 CHADMN Cc1c2nc[nH]c2ccc1NCCSCc1ccco1 ZINC001164224078 1133208219 /nfs/dbraw/zinc/20/82/19/1133208219.db2.gz BAZVPKIAKNYEIW-UHFFFAOYSA-N 0 1 287.388 3.810 20 0 CHADMN CCc1ccc(CN2CCN(Cc3ccccc3)C[C@H]2C)o1 ZINC001204393049 1133226157 /nfs/dbraw/zinc/22/61/57/1133226157.db2.gz NJWYKIRTFFQZRF-MRXNPFEDSA-N 0 1 298.430 3.548 20 0 CHADMN Cc1cc(C)nc(N2CCC(F)(F)C(C)(C)C2)c1 ZINC001164675846 1133226483 /nfs/dbraw/zinc/22/64/83/1133226483.db2.gz UQPFDUWBPXUHHW-UHFFFAOYSA-N 0 1 254.324 3.570 20 0 CHADMN CCc1ccc(CN(C)C/C=C/c2ccccc2)o1 ZINC001204395396 1133228161 /nfs/dbraw/zinc/22/81/61/1133228161.db2.gz OFKNOXGYKLRBGA-JXMROGBWSA-N 0 1 255.361 3.987 20 0 CHADMN Cc1ccc(N2Cc3ccccc3[C@@H](C)C2)nc1C ZINC001165217413 1133231272 /nfs/dbraw/zinc/23/12/72/1133231272.db2.gz KPJDUSWMFCFTCS-ZDUSSCGKSA-N 0 1 252.361 3.822 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(C(C)(C)C)cc2)CCC1=O ZINC001204397451 1133238513 /nfs/dbraw/zinc/23/85/13/1133238513.db2.gz WDHUYXFWIGYTBZ-CQSZACIVSA-N 0 1 273.420 3.785 20 0 CHADMN COc1ccnc(N2CCC3(C=Cc4ccccc43)CC2)c1 ZINC001165330468 1133240393 /nfs/dbraw/zinc/24/03/93/1133240393.db2.gz KZYHMNUWWXBKRS-UHFFFAOYSA-N 0 1 292.382 3.655 20 0 CHADMN Cc1ccc(CSC[C@@H](C)CN2CCOCC2)cc1C ZINC001165849913 1133253230 /nfs/dbraw/zinc/25/32/30/1133253230.db2.gz CGRWDFBQDGCOFE-AWEZNQCLSA-N 0 1 293.476 3.505 20 0 CHADMN Cc1nc2c(n1C[C@H]1CCCC13CCOCC3)CCCC2 ZINC001166221104 1133262464 /nfs/dbraw/zinc/26/24/64/1133262464.db2.gz JPDQNTOTFWGTRY-OAHLLOKOSA-N 0 1 288.435 3.667 20 0 CHADMN Cc1cc2ccccc2c(N2CC[C@@H](c3ccncc3)C2)n1 ZINC001166568681 1133271389 /nfs/dbraw/zinc/27/13/89/1133271389.db2.gz KMZKPDRFDVLRSK-QGZVFWFLSA-N 0 1 289.382 3.932 20 0 CHADMN COC(C)(C)[C@H]1CCCN1c1nc(C)cc2ccccc21 ZINC001166796355 1133288133 /nfs/dbraw/zinc/28/81/33/1133288133.db2.gz WDRLDRYKCPOOKS-MRXNPFEDSA-N 0 1 284.403 3.937 20 0 CHADMN Cc1cc(C)nc(N(C)Cc2csc(C(C)C)n2)c1 ZINC001167006100 1133298926 /nfs/dbraw/zinc/29/89/26/1133298926.db2.gz ZWGSXYXPMWFWGE-UHFFFAOYSA-N 0 1 275.421 3.915 20 0 CHADMN C[C@H]1CN(Cc2cccn2C)CCc2ccc(Cl)cc21 ZINC001203266929 1133308865 /nfs/dbraw/zinc/30/88/65/1133308865.db2.gz ASFOZBQTGNIXJC-ZDUSSCGKSA-N 0 1 288.822 3.840 20 0 CHADMN C[C@]1(CF)CCN(Cc2ccccc2Br)C1 ZINC001203320825 1133314637 /nfs/dbraw/zinc/31/46/37/1133314637.db2.gz YOIJWWDCEZFLKB-CYBMUJFWSA-N 0 1 286.188 3.631 20 0 CHADMN COc1ccc2c(c1)CN(Cc1ccccc1F)CCC2 ZINC001203360129 1133317105 /nfs/dbraw/zinc/31/71/05/1133317105.db2.gz RZEPYEXHKMBYCV-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN C[C@@]1(O)CCCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC001203388346 1133321025 /nfs/dbraw/zinc/32/10/25/1133321025.db2.gz CFKBYFUHOWWVHY-CQSZACIVSA-N 0 1 288.218 3.730 20 0 CHADMN CCN(Cc1c(Cl)cccc1Cl)C1CCOCC1 ZINC001203419013 1133325000 /nfs/dbraw/zinc/32/50/00/1133325000.db2.gz KCHXVIDLJDDNTM-UHFFFAOYSA-N 0 1 288.218 3.994 20 0 CHADMN COc1ccccc1CN1CCSc2ccccc2C1 ZINC001203438840 1133328462 /nfs/dbraw/zinc/32/84/62/1133328462.db2.gz RZBRQLHKBFNCDW-UHFFFAOYSA-N 0 1 285.412 3.803 20 0 CHADMN CCn1cc(Nc2ccnc3cc(OC)ccc32)c(C)n1 ZINC001203519894 1133334771 /nfs/dbraw/zinc/33/47/71/1133334771.db2.gz MUUOUXQPRSSJMI-UHFFFAOYSA-N 0 1 282.347 3.512 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccc(F)c1O ZINC001203526109 1133336864 /nfs/dbraw/zinc/33/68/64/1133336864.db2.gz NAUCYGJVFYQKGN-UHFFFAOYSA-N 0 1 284.290 3.832 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(O)cc1F ZINC001203526331 1133337345 /nfs/dbraw/zinc/33/73/45/1133337345.db2.gz SXXYYNXPIQQMFE-UHFFFAOYSA-N 0 1 284.290 3.832 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(CO)cc1F ZINC001203526164 1133337822 /nfs/dbraw/zinc/33/78/22/1133337822.db2.gz PPNMGAAGFPBMGL-UHFFFAOYSA-N 0 1 298.317 3.618 20 0 CHADMN FC(F)(F)c1ccccc1CN1CC2CC(C2)C1 ZINC001203693668 1133354430 /nfs/dbraw/zinc/35/44/30/1133354430.db2.gz JPDBZLFUIGDMBA-UHFFFAOYSA-N 0 1 255.283 3.547 20 0 CHADMN Fc1cccc(Cl)c1CNC[C@@H]1CC2(CCC2)CO1 ZINC001203706417 1133356469 /nfs/dbraw/zinc/35/64/69/1133356469.db2.gz JNSAAGFPJRETOD-NSHDSACASA-N 0 1 283.774 3.528 20 0 CHADMN Cc1ccccc1CN1CCc2ccc(F)cc2C1 ZINC001203709641 1133357144 /nfs/dbraw/zinc/35/71/44/1133357144.db2.gz MZLUGPSKKZGNSM-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC001203790236 1133368382 /nfs/dbraw/zinc/36/83/82/1133368382.db2.gz PAHFEQVNMJGTQX-OAHLLOKOSA-N 0 1 293.382 3.522 20 0 CHADMN CCCOC1CCN(Cc2cccc(Cl)c2)CC1 ZINC001203800649 1133370052 /nfs/dbraw/zinc/37/00/52/1133370052.db2.gz ZWAABODJPWACFI-UHFFFAOYSA-N 0 1 267.800 3.731 20 0 CHADMN Clc1cc(Cl)cc(CN2CCC3(COC3)CC2)c1 ZINC001203808073 1133370754 /nfs/dbraw/zinc/37/07/54/1133370754.db2.gz DZLPMZUKQYHSLB-UHFFFAOYSA-N 0 1 286.202 3.606 20 0 CHADMN CN(CCC(=O)c1cccs1)Cc1ccc(F)cc1 ZINC001203915380 1133384330 /nfs/dbraw/zinc/38/43/30/1133384330.db2.gz RTLLUVJDKGMHTE-UHFFFAOYSA-N 0 1 277.364 3.592 20 0 CHADMN FC[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1C(F)(F)F ZINC001203919324 1133385128 /nfs/dbraw/zinc/38/51/28/1133385128.db2.gz VIHTYTJWIMZWIF-ZYHUDNBSSA-N 0 1 295.707 3.920 20 0 CHADMN F[C@H]1CCN(Cc2ccc(Cl)cc2)CCC1(F)F ZINC001203919077 1133385313 /nfs/dbraw/zinc/38/53/13/1133385313.db2.gz QQPUXVCKLZEJKW-LBPRGKRZSA-N 0 1 277.717 3.909 20 0 CHADMN COc1ccc2ccccc2c1CN1C[C@@H](C)[C@@H](F)C1 ZINC001203986067 1133394090 /nfs/dbraw/zinc/39/40/90/1133394090.db2.gz CYEWGABAUWZWHN-WBMJQRKESA-N 0 1 273.351 3.638 20 0 CHADMN C[C@H]1CN(Cc2ccc3ccccc3c2)CCCC1=O ZINC001203997800 1133396396 /nfs/dbraw/zinc/39/63/96/1133396396.db2.gz GCAZLDDKXBSXHW-AWEZNQCLSA-N 0 1 267.372 3.641 20 0 CHADMN Fc1ccccc1[C@@H]1CCCN1Cc1ccc2c(c1)OCO2 ZINC001204052009 1133403852 /nfs/dbraw/zinc/40/38/52/1133403852.db2.gz CHTNXAAKYDRUMV-INIZCTEOSA-N 0 1 299.345 3.892 20 0 CHADMN O=C1CCN(Cc2ccnc3ccccc23)[C@H]2CCCC[C@@H]12 ZINC001204085934 1133406912 /nfs/dbraw/zinc/40/69/12/1133406912.db2.gz VCIKVQKAXLUCFI-AEFFLSMTSA-N 0 1 294.398 3.568 20 0 CHADMN c1coc(CN(Cc2ccnc3ccccc23)C2CC2)c1 ZINC001204091340 1133407959 /nfs/dbraw/zinc/40/79/59/1133407959.db2.gz QLESFOBDOBWWHZ-UHFFFAOYSA-N 0 1 278.355 3.992 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1ccc(SC)cc1)C2 ZINC001204139356 1133410782 /nfs/dbraw/zinc/41/07/82/1133410782.db2.gz BWEJFIHNYKAEJH-UHFFFAOYSA-N 0 1 299.439 3.975 20 0 CHADMN CC(C)c1ccc(CN2CCCC(=O)[C@H](C)C2)cc1 ZINC001204165179 1133413692 /nfs/dbraw/zinc/41/36/92/1133413692.db2.gz RYJHIQKTVZYMKP-CQSZACIVSA-N 0 1 259.393 3.611 20 0 CHADMN C[C@@]1(O)CCCCN(Cc2cccc(Cl)c2Cl)C1 ZINC001204181089 1133415499 /nfs/dbraw/zinc/41/54/99/1133415499.db2.gz FOQLWHGCTMCLOW-CQSZACIVSA-N 0 1 288.218 3.730 20 0 CHADMN CC[N@@H+](CCn1ccnc1)Cc1cccc(Cl)c1Cl ZINC001204184269 1133416852 /nfs/dbraw/zinc/41/68/52/1133416852.db2.gz DAWCORDWYBIULU-UHFFFAOYSA-N 0 1 298.217 3.712 20 0 CHADMN CCN(CCn1ccnc1)Cc1cccc(Cl)c1Cl ZINC001204184269 1133416856 /nfs/dbraw/zinc/41/68/56/1133416856.db2.gz DAWCORDWYBIULU-UHFFFAOYSA-N 0 1 298.217 3.712 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(Cl)c2Cl)CC[C@@H]1O ZINC001204181482 1133416972 /nfs/dbraw/zinc/41/69/72/1133416972.db2.gz PHDHKTDHCYDAPJ-MFKMUULPSA-N 0 1 288.218 3.586 20 0 CHADMN Fc1cccc(F)c1CN1CCc2ccccc2CC1 ZINC001204201124 1133417541 /nfs/dbraw/zinc/41/75/41/1133417541.db2.gz CEDASHOTCJHDBV-UHFFFAOYSA-N 0 1 273.326 3.566 20 0 CHADMN COc1cccc(CCN(C)Cc2ccc(F)cc2F)c1 ZINC001204210993 1133419525 /nfs/dbraw/zinc/41/95/25/1133419525.db2.gz NYBYBBPPCAFMIO-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN CC1(C)CCC2(CCN(Cc3ccc(F)c(F)c3)CC2)O1 ZINC001204227020 1133420575 /nfs/dbraw/zinc/42/05/75/1133420575.db2.gz UMFFRUMXKHDAHV-UHFFFAOYSA-N 0 1 295.373 3.888 20 0 CHADMN COc1ccc(CN(C)Cc2cccc(C)c2)c(OC)c1C ZINC001204257007 1133425581 /nfs/dbraw/zinc/42/55/81/1133425581.db2.gz VGPQNNVSPOSNQC-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN Cc1[nH]c2ccccc2c1CN(C)Cc1cncs1 ZINC001204292577 1133430936 /nfs/dbraw/zinc/43/09/36/1133430936.db2.gz HNZQOUKPCDXYSO-UHFFFAOYSA-N 0 1 271.389 3.565 20 0 CHADMN Cn1cc(C[N@H+]2CCc3ccsc3C2)c2ccccc21 ZINC001204320809 1133436831 /nfs/dbraw/zinc/43/68/31/1133436831.db2.gz PKXAXDWKHIPHAN-UHFFFAOYSA-N 0 1 282.412 3.798 20 0 CHADMN COc1ccccc1C[N@@H+](C)Cc1cn(C)c2ccccc12 ZINC001204320480 1133437064 /nfs/dbraw/zinc/43/70/64/1133437064.db2.gz ITOGGMJGXDYCPV-UHFFFAOYSA-N 0 1 294.398 3.819 20 0 CHADMN COc1ccccc1CN(C)Cc1cn(C)c2ccccc12 ZINC001204320480 1133437067 /nfs/dbraw/zinc/43/70/67/1133437067.db2.gz ITOGGMJGXDYCPV-UHFFFAOYSA-N 0 1 294.398 3.819 20 0 CHADMN COc1cccc2c1CN(Cc1ccc(C)c(C)c1)CC2 ZINC001204353821 1133439972 /nfs/dbraw/zinc/43/99/72/1133439972.db2.gz QRZGDEUKYCACAA-UHFFFAOYSA-N 0 1 281.399 3.870 20 0 CHADMN CCc1ccc(CN2Cc3ccccc3C[C@@H]2C)o1 ZINC001204395416 1133443489 /nfs/dbraw/zinc/44/34/89/1133443489.db2.gz OQYKJJFARTYWIO-ZDUSSCGKSA-N 0 1 255.361 3.789 20 0 CHADMN CC(C)Oc1ccc(CN2C[C@@H](C)C[C@H]2CF)cc1 ZINC001204452831 1133448438 /nfs/dbraw/zinc/44/84/38/1133448438.db2.gz NFWWMNGITJUJAM-ZFWWWQNUSA-N 0 1 265.372 3.654 20 0 CHADMN COc1ccc2cc(CN3C[C@H](F)C[C@H]3C)ccc2c1 ZINC001204515273 1133456275 /nfs/dbraw/zinc/45/62/75/1133456275.db2.gz DLUJFADOFDJDBW-MLGOLLRUSA-N 0 1 273.351 3.781 20 0 CHADMN Cc1cc(C)cc(CN2CCCC(F)(F)[C@H](F)C2)c1 ZINC001204519965 1133456605 /nfs/dbraw/zinc/45/66/05/1133456605.db2.gz PYQFZTQAXFCGAB-CQSZACIVSA-N 0 1 271.326 3.873 20 0 CHADMN C[C@H]1CCCCN(Cc2cc(F)c(F)c(F)c2)C1 ZINC001204527427 1133458359 /nfs/dbraw/zinc/45/83/59/1133458359.db2.gz UGSDGZMJDFQZSD-JTQLQIEISA-N 0 1 257.299 3.726 20 0 CHADMN COc1cc(CN2CCC(F)(F)C(C)(C)C2)ccc1F ZINC001204555546 1133461138 /nfs/dbraw/zinc/46/11/38/1133461138.db2.gz CQKXNQUHFUCDMR-UHFFFAOYSA-N 0 1 287.325 3.702 20 0 CHADMN Clc1ccc(Cl)c(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c1 ZINC001204568799 1133464331 /nfs/dbraw/zinc/46/43/31/1133464331.db2.gz PKQDBUPNTIFJGS-HZMBPMFUSA-N 0 1 286.202 3.604 20 0 CHADMN Clc1ccc(Cl)c(CN2CC[C@@H]3OCC[C@H]3C2)c1 ZINC001204568799 1133464335 /nfs/dbraw/zinc/46/43/35/1133464335.db2.gz PKQDBUPNTIFJGS-HZMBPMFUSA-N 0 1 286.202 3.604 20 0 CHADMN CCN(Cc1[nH]cnc1C)Cc1ccc(C(F)(F)F)cc1 ZINC001204593921 1133465702 /nfs/dbraw/zinc/46/57/02/1133465702.db2.gz IRHCZTZJJZCNAM-UHFFFAOYSA-N 0 1 297.324 3.759 20 0 CHADMN CC(C)OC(=O)[C@@H](C)N(C)C[C@H](C)CC1CCCCC1 ZINC001204592325 1133465827 /nfs/dbraw/zinc/46/58/27/1133465827.db2.gz LSBWDYPXBXXISU-HUUCEWRRSA-N 0 1 283.456 3.865 20 0 CHADMN CSCc1ccc(CN(C)Cc2cccn2C)cc1 ZINC001204690245 1133476647 /nfs/dbraw/zinc/47/66/47/1133476647.db2.gz NEUCOENATIYORQ-UHFFFAOYSA-N 0 1 274.433 3.520 20 0 CHADMN CC[C@](C)(C[N@@H+](C)[C@@H](C)c1cc(F)ccc1F)OC ZINC001204730757 1133479968 /nfs/dbraw/zinc/47/99/68/1133479968.db2.gz VVHVSEOPYWTDDK-XHDPSFHLSA-N 0 1 271.351 3.773 20 0 CHADMN CN(CCc1ccccc1Cl)Cc1nc2ccccc2[nH]1 ZINC001204786741 1133485538 /nfs/dbraw/zinc/48/55/38/1133485538.db2.gz YSHRQBMCYLRCII-UHFFFAOYSA-N 0 1 299.805 3.891 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(OC(F)F)c2)cn1 ZINC001204850143 1133492580 /nfs/dbraw/zinc/49/25/80/1133492580.db2.gz FYFONJUMMMFHCQ-UHFFFAOYSA-N 0 1 292.329 3.623 20 0 CHADMN CCN(Cc1ccc(CSC)cc1)Cc1ccccn1 ZINC001204875202 1133493577 /nfs/dbraw/zinc/49/35/77/1133493577.db2.gz LRCLULYNYCVKAJ-UHFFFAOYSA-N 0 1 286.444 3.967 20 0 CHADMN CN(CC(=O)Nc1cccc(Cl)c1)CC1(C)CCCC1 ZINC001204882091 1133495366 /nfs/dbraw/zinc/49/53/66/1133495366.db2.gz YJBWHSFMVJEQJW-UHFFFAOYSA-N 0 1 294.826 3.791 20 0 CHADMN CN[C@H](c1nc(-c2cccc(Cl)c2F)no1)C(C)(C)C ZINC001204889785 1133495947 /nfs/dbraw/zinc/49/59/47/1133495947.db2.gz RINADBFVXKKLHV-LLVKDONJSA-N 0 1 297.761 3.836 20 0 CHADMN CN[C@H](c1nc(-c2cc(F)cc(Cl)c2)no1)C(C)(C)C ZINC001204889099 1133496103 /nfs/dbraw/zinc/49/61/03/1133496103.db2.gz PGYLFLOOLCSGMS-LLVKDONJSA-N 0 1 297.761 3.836 20 0 CHADMN Fc1cc(CN2CCC[C@H]3C[C@H]32)ccc1C(F)(F)F ZINC001204893391 1133497290 /nfs/dbraw/zinc/49/72/90/1133497290.db2.gz FMYUTWFDVUOHIO-GXFFZTMASA-N 0 1 273.273 3.829 20 0 CHADMN CN[C@H](c1nc(-c2cccc3c2CCCC3)no1)C(C)(C)C ZINC001204894957 1133497616 /nfs/dbraw/zinc/49/76/16/1133497616.db2.gz ABRSZSUSQWVYFB-OAHLLOKOSA-N 0 1 299.418 3.922 20 0 CHADMN COc1ccc(CN2CCCc3ccccc3C2)c(F)c1 ZINC001204928940 1133501129 /nfs/dbraw/zinc/50/11/29/1133501129.db2.gz VFAYLILNZTVQIJ-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN FC(F)(F)Cc1ccccc1CN1CC=CCC1 ZINC001204974977 1133510202 /nfs/dbraw/zinc/51/02/02/1133510202.db2.gz FCJIIOATVQBMQL-UHFFFAOYSA-N 0 1 255.283 3.553 20 0 CHADMN Cc1cccc(CN2CCC(=O)[C@@H]3CCCC[C@H]32)c1C ZINC001205061024 1133523289 /nfs/dbraw/zinc/52/32/89/1133523289.db2.gz ZJAYYIVLFAYADK-IAGOWNOFSA-N 0 1 271.404 3.637 20 0 CHADMN CCc1ccc(CN(C)Cc2cnn(C3CCC3)c2)cc1 ZINC001205148051 1133536629 /nfs/dbraw/zinc/53/66/29/1133536629.db2.gz AUWZFDBQHJKGJS-UHFFFAOYSA-N 0 1 283.419 3.803 20 0 CHADMN COc1cc(C)ccc1CN(C)Cc1cccc(F)c1 ZINC001205155974 1133538377 /nfs/dbraw/zinc/53/83/77/1133538377.db2.gz IQSBYELWAUBFBH-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1c(F)cc(F)c(F)c1F ZINC001205180867 1133541809 /nfs/dbraw/zinc/54/18/09/1133541809.db2.gz YCWJUTVLQGIHKQ-UHFFFAOYSA-N 0 1 296.223 3.795 20 0 CHADMN Cc1ccc(CN2C[C@H]3c4ccccc4C(=O)[C@H]3C2)cc1F ZINC001205215466 1133548039 /nfs/dbraw/zinc/54/80/39/1133548039.db2.gz QIKRFNUJEAGDHU-IRXDYDNUSA-N 0 1 295.357 3.546 20 0 CHADMN Cc1nc2ccc(-c3ccc(F)c4n[nH]cc43)cc2[nH]1 ZINC001205338015 1133564382 /nfs/dbraw/zinc/56/43/82/1133564382.db2.gz XLBJHDUDMOGZJB-UHFFFAOYSA-N 0 1 266.279 3.554 20 0 CHADMN Cc1nc2cccc(-c3ccc(F)c4n[nH]cc43)c2[nH]1 ZINC001205349208 1133566801 /nfs/dbraw/zinc/56/68/01/1133566801.db2.gz NLTPDZAYVFEIIP-UHFFFAOYSA-N 0 1 266.279 3.554 20 0 CHADMN Fc1ccc2ccc(CN3CCCC4(CC4)C3)nc2c1F ZINC001205491877 1133582274 /nfs/dbraw/zinc/58/22/74/1133582274.db2.gz CRJMGDJBZJCZKK-UHFFFAOYSA-N 0 1 288.341 3.889 20 0 CHADMN CC[C@@H](C)N(CC(=O)OC)C[C@H](C)c1cccc(Cl)c1 ZINC001205562726 1133588150 /nfs/dbraw/zinc/58/81/50/1133588150.db2.gz VZEKFQRBQSIUFM-QWHCGFSZSA-N 0 1 297.826 3.717 20 0 CHADMN CCCc1ccc(CN2CCO[C@H](C(C)(C)C)C2)s1 ZINC001205629410 1133597380 /nfs/dbraw/zinc/59/73/80/1133597380.db2.gz VQIFQRYCJLHSCU-HNNXBMFYSA-N 0 1 281.465 3.948 20 0 CHADMN c1nocc1CN1CCC(CCCc2ccccc2)CC1 ZINC001205670907 1133601062 /nfs/dbraw/zinc/60/10/62/1133601062.db2.gz ZUIBCPKNFFTFHV-UHFFFAOYSA-N 0 1 284.403 3.910 20 0 CHADMN C[C@H]1CCCN(Cc2cncc(Br)c2)C[C@H]1C ZINC001206098652 1133656599 /nfs/dbraw/zinc/65/65/99/1133656599.db2.gz OWZFQMRCBGFRFZ-NWDGAFQWSA-N 0 1 297.240 3.712 20 0 CHADMN C[C@@H]1CCCN(Cc2cncc(Br)c2)C[C@H]1C ZINC001206098654 1133657047 /nfs/dbraw/zinc/65/70/47/1133657047.db2.gz OWZFQMRCBGFRFZ-VXGBXAGGSA-N 0 1 297.240 3.712 20 0 CHADMN C[C@H]1CN(Cc2cc3ccccc3n2C)CC2(CCCC2)O1 ZINC001206544892 1133715247 /nfs/dbraw/zinc/71/52/47/1133715247.db2.gz PXYIFXUQJJPLMR-HNNXBMFYSA-N 0 1 298.430 3.712 20 0 CHADMN Cc1cc2[nH]ccc2c(-c2cc3n[nH]cc3c(F)c2)n1 ZINC001206550896 1133717297 /nfs/dbraw/zinc/71/72/97/1133717297.db2.gz OTYLKYWZLDXLDL-UHFFFAOYSA-N 0 1 266.279 3.554 20 0 CHADMN CC[C@@H]1CN(Cc2cc3ccccc3n2C)[C@H](CC)CO1 ZINC001206567340 1133719947 /nfs/dbraw/zinc/71/99/47/1133719947.db2.gz BIDDKUVWDIJINK-NVXWUHKLSA-N 0 1 286.419 3.568 20 0 CHADMN Cc1cc(CN2CCC(C3CCC3)CC2)cnc1F ZINC001206596990 1133726133 /nfs/dbraw/zinc/72/61/33/1133726133.db2.gz BWMQIGUTEKESFE-UHFFFAOYSA-N 0 1 262.372 3.541 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C3CCC3)cc2)cn1 ZINC001206644446 1133731187 /nfs/dbraw/zinc/73/11/87/1133731187.db2.gz HBCIOVZFVDQABF-UHFFFAOYSA-N 0 1 296.414 3.990 20 0 CHADMN COc1cc(C)ccc1CN1CC(C)(c2ccccc2)C1 ZINC001206742098 1133738962 /nfs/dbraw/zinc/73/89/62/1133738962.db2.gz JLBQNEVCVBAUHM-UHFFFAOYSA-N 0 1 281.399 3.777 20 0 CHADMN Oc1cc(F)c(-c2cc(-c3cccs3)ncn2)cc1F ZINC001206768478 1133745256 /nfs/dbraw/zinc/74/52/56/1133745256.db2.gz VLISIYRXANKQQN-UHFFFAOYSA-N 0 1 290.294 3.856 20 0 CHADMN CCc1cc2ncnc(-c3cc(F)c(O)cc3F)c2s1 ZINC001206767701 1133746358 /nfs/dbraw/zinc/74/63/58/1133746358.db2.gz ICIOGCQYHFANPZ-UHFFFAOYSA-N 0 1 292.310 3.905 20 0 CHADMN Fc1ccc(-c2cc(CN3CC4CCC3CC4)no2)cc1 ZINC001206836049 1133754636 /nfs/dbraw/zinc/75/46/36/1133754636.db2.gz HYJWSDXFFMWQRL-UHFFFAOYSA-N 0 1 286.350 3.855 20 0 CHADMN Fc1cccnc1C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001207034779 1133761543 /nfs/dbraw/zinc/76/15/43/1133761543.db2.gz XTAYWCADWHYMPU-MRXNPFEDSA-N 0 1 284.378 3.990 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1Cc1ncccc1F ZINC001207029423 1133762018 /nfs/dbraw/zinc/76/20/18/1133762018.db2.gz PYMXIJNSOYJSJQ-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN c1nc(CN2CCC3(CCCCC3)CC2)n2ccccc12 ZINC001207048052 1133763836 /nfs/dbraw/zinc/76/38/36/1133763836.db2.gz GEVKLFVTYJDYOF-UHFFFAOYSA-N 0 1 283.419 3.881 20 0 CHADMN Fc1cnc(CN2CCC[C@H]3CCCC[C@@H]32)c(F)c1 ZINC001207097818 1133767711 /nfs/dbraw/zinc/76/77/11/1133767711.db2.gz ZUPJPKSUEPWZHA-ABAIWWIYSA-N 0 1 266.335 3.514 20 0 CHADMN Clc1ccc([C@@H]2C[C@H]2CN2CC3(C2)CCCCO3)cc1 ZINC001207182989 1133775339 /nfs/dbraw/zinc/77/53/39/1133775339.db2.gz WHTDJKTZROMBHN-HOCLYGCPSA-N 0 1 291.822 3.698 20 0 CHADMN Clc1ccc([C@@H]2C[C@@H]2CN2CC3(C2)CCCCO3)cc1 ZINC001207182990 1133775735 /nfs/dbraw/zinc/77/57/35/1133775735.db2.gz WHTDJKTZROMBHN-ZBFHGGJFSA-N 0 1 291.822 3.698 20 0 CHADMN Clc1ccc([C@@H]2C[C@H]2CN2CCn3cccc3C2)cc1 ZINC001207188709 1133776820 /nfs/dbraw/zinc/77/68/20/1133776820.db2.gz VNAJFLHUFCNNBI-YOEHRIQHSA-N 0 1 286.806 3.761 20 0 CHADMN CCCOC1CN(C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001207189295 1133777514 /nfs/dbraw/zinc/77/75/14/1133777514.db2.gz ASOIHPUZMUXRAQ-XJKSGUPXSA-N 0 1 279.811 3.554 20 0 CHADMN CC(C)[C@@H]1C[C@@H](N[C@H](CF)c2ccc(F)cc2)CS1 ZINC001207224880 1133780388 /nfs/dbraw/zinc/78/03/88/1133780388.db2.gz AWRLYFMZXAPMGJ-KFWWJZLASA-N 0 1 285.403 3.956 20 0 CHADMN COC[C@H](CC(C)(C)C)N[C@H](CF)c1ccc(F)cc1 ZINC001207224952 1133780396 /nfs/dbraw/zinc/78/03/96/1133780396.db2.gz CBQDAXBKIMBSCZ-LSDHHAIUSA-N 0 1 285.378 3.877 20 0 CHADMN CCOCc1noc2c1C[N@@H+](CCC1CCCCC1)CC2 ZINC001207263090 1133784174 /nfs/dbraw/zinc/78/41/74/1133784174.db2.gz VHRSAURNVFJPLM-UHFFFAOYSA-N 0 1 292.423 3.540 20 0 CHADMN CCOCc1noc2c1CN(CCC1CCCCC1)CC2 ZINC001207263090 1133784177 /nfs/dbraw/zinc/78/41/77/1133784177.db2.gz VHRSAURNVFJPLM-UHFFFAOYSA-N 0 1 292.423 3.540 20 0 CHADMN CC[C@@H]1CCCCN1CCc1c(Cl)ncnc1Cl ZINC001207330707 1133792152 /nfs/dbraw/zinc/79/21/52/1133792152.db2.gz BVFGAVLSTAJUFO-SNVBAGLBSA-N 0 1 288.222 3.590 20 0 CHADMN C[C@@H]1CCN(CCCc2cccc(Cl)c2)CCC1=O ZINC001207583279 1133822917 /nfs/dbraw/zinc/82/29/17/1133822917.db2.gz DCELYXOSEPVLCM-CYBMUJFWSA-N 0 1 279.811 3.574 20 0 CHADMN O=C1CCCN(CCCc2cccc(C(F)(F)F)c2)CC1 ZINC001207842050 1133853440 /nfs/dbraw/zinc/85/34/40/1133853440.db2.gz QJWLIHVSOPCBDU-UHFFFAOYSA-N 0 1 299.336 3.693 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(C)ccc2OC)cc1 ZINC000088218649 1133855118 /nfs/dbraw/zinc/85/51/18/1133855118.db2.gz ALNWAGUNAKTZQV-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN Fc1cccc(F)c1[C@H]1CCCN1C[C@H]1CCCCO1 ZINC001207962793 1133870277 /nfs/dbraw/zinc/87/02/77/1133870277.db2.gz XQRZPCQHTNLWPX-IUODEOHRSA-N 0 1 281.346 3.671 20 0 CHADMN c1ccc(CN(Cc2cccnc2)C[C@H]2CCCCO2)cc1 ZINC001207959652 1133871381 /nfs/dbraw/zinc/87/13/81/1133871381.db2.gz XQPLUNLSQNYTHW-LJQANCHMSA-N 0 1 296.414 3.653 20 0 CHADMN CC/C=C\CCCN1CCC[C@H]1C(=O)OC(C)(C)C ZINC001208135510 1133882081 /nfs/dbraw/zinc/88/20/81/1133882081.db2.gz FDAMLEOMQZJFSO-AFNCTOJWSA-N 0 1 267.413 3.539 20 0 CHADMN Cc1ccc([C@H](C)CCN2CCC(=O)[C@H]3CCCC[C@H]32)o1 ZINC001208150212 1133887053 /nfs/dbraw/zinc/88/70/53/1133887053.db2.gz DPOAUGVHIGPHTM-VNQPRFMTSA-N 0 1 289.419 3.915 20 0 CHADMN CS[C@H](C)CCN1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001208152214 1133887286 /nfs/dbraw/zinc/88/72/86/1133887286.db2.gz FMKBDXLWQSLKDY-CZUORRHYSA-N 0 1 297.439 3.515 20 0 CHADMN Cc1ccc([C@H](C)CCN2CC[C@@](C)(F)[C@H](F)C2)o1 ZINC001208162462 1133893506 /nfs/dbraw/zinc/89/35/06/1133893506.db2.gz QWAUEXAMBMFGAD-KCPJHIHWSA-N 0 1 271.351 3.854 20 0 CHADMN CC1=C[C@@H](C)[C@H](CN(C)CC(=O)c2ccccc2)CC1 ZINC001208182646 1133900989 /nfs/dbraw/zinc/90/09/89/1133900989.db2.gz UREFFEJMJJKFGW-WBVHZDCISA-N 0 1 271.404 3.794 20 0 CHADMN CC1=C[C@H](C)[C@@H](CN(C)Cc2cscn2)CC1 ZINC001208181550 1133901150 /nfs/dbraw/zinc/90/11/50/1133901150.db2.gz NSLIUMUDJUFGEX-QWHCGFSZSA-N 0 1 250.411 3.567 20 0 CHADMN CC/C=C\CCCCCN1CCN(C(=O)CC(C)C)CC1 ZINC001208193934 1133903793 /nfs/dbraw/zinc/90/37/93/1133903793.db2.gz ITQTUOHJVMUWIK-WAYWQWQTSA-N 0 1 294.483 3.703 20 0 CHADMN CCCOC1CN(CC[C@@H](C)CCCC(C)(C)OC)C1 ZINC001208205001 1133908240 /nfs/dbraw/zinc/90/82/40/1133908240.db2.gz FTWXKEMSBUFYGR-HNNXBMFYSA-N 0 1 285.472 3.719 20 0 CHADMN Cc1nc2c(o1)CCN(CCC(C)(C)c1ccccc1)C2 ZINC001208672882 1133926149 /nfs/dbraw/zinc/92/61/49/1133926149.db2.gz DVJRUFGAPQPUKK-UHFFFAOYSA-N 0 1 284.403 3.709 20 0 CHADMN C[C@@H](CN1CCn2cncc2C1)c1cccc2ccccc21 ZINC001208711745 1133934771 /nfs/dbraw/zinc/93/47/71/1133934771.db2.gz XSNIKTPSXMOTQY-HNNXBMFYSA-N 0 1 291.398 3.656 20 0 CHADMN CC/C=C\CC[N@@H+](C)Cc1cncc(Br)c1 ZINC001208726368 1133935404 /nfs/dbraw/zinc/93/54/04/1133935404.db2.gz VAAKJARHKBOTIW-PLNGDYQASA-N 0 1 283.213 3.632 20 0 CHADMN O=C1CCN(CCc2ccc(Cl)cc2)[C@H]2CCCC[C@H]12 ZINC001208737012 1133939748 /nfs/dbraw/zinc/93/97/48/1133939748.db2.gz PAFCENZZNLYRGZ-HOTGVXAUSA-N 0 1 291.822 3.716 20 0 CHADMN c1ccc(CN(Cc2ccccn2)C[C@H]2CCC=CO2)cc1 ZINC001208873572 1133956365 /nfs/dbraw/zinc/95/63/65/1133956365.db2.gz GZUVMIHYTFTSLH-LJQANCHMSA-N 0 1 294.398 3.777 20 0 CHADMN c1ccc(CN(Cc2ccncc2)C[C@H]2CCC=CO2)cc1 ZINC001208873231 1133956793 /nfs/dbraw/zinc/95/67/93/1133956793.db2.gz DMKHCJITEHUIBS-LJQANCHMSA-N 0 1 294.398 3.777 20 0 CHADMN COC(=O)c1ccc2c(c1)CN(CC1(C)CCCCC1)C2 ZINC001208902089 1133960607 /nfs/dbraw/zinc/96/06/07/1133960607.db2.gz HOSCJUZHALJEPE-UHFFFAOYSA-N 0 1 287.403 3.759 20 0 CHADMN CCC(=O)C(C)(C)CN1CCc2cc(Cl)ccc2C1 ZINC001208919862 1133964262 /nfs/dbraw/zinc/96/42/62/1133964262.db2.gz GGDUWNDBSSRMJJ-UHFFFAOYSA-N 0 1 279.811 3.703 20 0 CHADMN C[C@@H]1CCN(CCc2ccc(C(F)(F)F)cc2)CCC1=O ZINC001209121630 1133977240 /nfs/dbraw/zinc/97/72/40/1133977240.db2.gz ANKFSNDJVNTOBN-GFCCVEGCSA-N 0 1 299.336 3.549 20 0 CHADMN C[C@@H]1C[C@H](F)CN1CCc1cccc(C(F)(F)F)c1 ZINC001209120523 1133978167 /nfs/dbraw/zinc/97/81/67/1133978167.db2.gz ARKLQDRYRRPVNG-MFKMUULPSA-N 0 1 275.289 3.680 20 0 CHADMN FC(F)(F)c1ccc(CCN2CCOCC23CCC3)cc1 ZINC001209126221 1133978864 /nfs/dbraw/zinc/97/88/64/1133978864.db2.gz PVSWCNXBVXLCFP-UHFFFAOYSA-N 0 1 299.336 3.503 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@@H+](C)CC1COC(C)(C)OC1 ZINC001209201463 1133986460 /nfs/dbraw/zinc/98/64/60/1133986460.db2.gz LEXSJGAEGVETAK-GFCCVEGCSA-N 0 1 297.826 3.732 20 0 CHADMN O=C1C[C@H]2CCC[C@@H](C1)N2CCCCCc1ccccc1 ZINC001209229635 1133993271 /nfs/dbraw/zinc/99/32/71/1133993271.db2.gz KAGYOVSFLRUJMJ-HDICACEKSA-N 0 1 285.431 3.985 20 0 CHADMN Fc1cc(F)c(CCN2CCCC(F)(F)CC2)cc1F ZINC001209251314 1133995876 /nfs/dbraw/zinc/99/58/76/1133995876.db2.gz RWHTVFAAFXSAMJ-UHFFFAOYSA-N 0 1 293.279 3.768 20 0 CHADMN C[C@@H]1CC[N@@H+](CCc2cc(F)c(F)cc2F)[C@H](C)C1 ZINC001209254130 1133996016 /nfs/dbraw/zinc/99/60/16/1133996016.db2.gz IZYHYQZCWMHQKI-GHMZBOCLSA-N 0 1 271.326 3.767 20 0 CHADMN FC(F)(F)c1ccccc1CCN1CCC[C@]2(CCO2)C1 ZINC001209282279 1134000506 /nfs/dbraw/zinc/00/05/06/1134000506.db2.gz BXVPJIXGHZIKNP-HNNXBMFYSA-N 0 1 299.336 3.503 20 0 CHADMN CC/C=C\CCCCCCN1CCn2ccnc2C1 ZINC001209287421 1134001545 /nfs/dbraw/zinc/00/15/45/1134001545.db2.gz REVKQSCJYBTFMF-ARJAWSKDSA-N 0 1 261.413 3.615 20 0 CHADMN C[C@@H]1C[C@@H](CN2Cc3cccc(Cl)c3C2)C[C@H](C)O1 ZINC001209399573 1134010672 /nfs/dbraw/zinc/01/06/72/1134010672.db2.gz UCBMYGSRZFXTLS-CLLJXQQHSA-N 0 1 279.811 3.859 20 0 CHADMN Cc1cc(CN(Cc2ccccc2)C[C@H]2C[C@H]2C)on1 ZINC001209430876 1134016603 /nfs/dbraw/zinc/01/66/03/1134016603.db2.gz NUQGBCBEKVTZBN-CZUORRHYSA-N 0 1 270.376 3.641 20 0 CHADMN C[C@@H]1C[C@@H]1CN1CCc2c(cccc2C(F)(F)F)C1 ZINC001209434296 1134017846 /nfs/dbraw/zinc/01/78/46/1134017846.db2.gz XLGZTRNMXISQJN-ZYHUDNBSSA-N 0 1 269.310 3.720 20 0 CHADMN Cc1cccc2c(CN3CC[C@@](C)(F)[C@@H](F)C3)c[nH]c21 ZINC001209481514 1134025511 /nfs/dbraw/zinc/02/55/11/1134025511.db2.gz ALECSVQPIRQBLS-GOEBONIOSA-N 0 1 278.346 3.748 20 0 CHADMN CCN(Cc1ccc2cc[nH]c2c1)Cc1ccccn1 ZINC001209513855 1134032864 /nfs/dbraw/zinc/03/28/64/1134032864.db2.gz FFPLVJKNSSPMOE-UHFFFAOYSA-N 0 1 265.360 3.585 20 0 CHADMN Cn1nc2ccccc2c1CN1CCC[C@@H]2CCCC[C@H]21 ZINC001209542112 1134036073 /nfs/dbraw/zinc/03/60/73/1134036073.db2.gz GAIIUXTXQDYOLY-WMLDXEAASA-N 0 1 283.419 3.728 20 0 CHADMN c1cc(CN2CCC3(CCCc4ccccc43)CC2)no1 ZINC001209560468 1134036257 /nfs/dbraw/zinc/03/62/57/1134036257.db2.gz RDFCPGXRWFUYGC-UHFFFAOYSA-N 0 1 282.387 3.545 20 0 CHADMN Cc1[nH]c2ncccc2c1CN(C)Cc1ccccc1F ZINC001209586843 1134040127 /nfs/dbraw/zinc/04/01/27/1134040127.db2.gz FITZMVSNWLRIFM-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN Cc1[nH]c2ncccc2c1CN1CCc2c(F)cccc2C1 ZINC001209592788 1134040830 /nfs/dbraw/zinc/04/08/30/1134040830.db2.gz IXDCMAILVVFNEW-UHFFFAOYSA-N 0 1 295.361 3.569 20 0 CHADMN C[C@H]1CN(Cc2c[nH]c3ncc(Cl)cc23)CCC1(F)F ZINC001209593342 1134041514 /nfs/dbraw/zinc/04/15/14/1134041514.db2.gz YTYLWASJVTYADT-VIFPVBQESA-N 0 1 299.752 3.693 20 0 CHADMN CCCCC1CCN(Cc2cnc(OC)c(OC)c2)CC1 ZINC001209612756 1134043089 /nfs/dbraw/zinc/04/30/89/1134043089.db2.gz MBILXRGSUFARMJ-UHFFFAOYSA-N 0 1 292.423 3.501 20 0 CHADMN COc1cc(CN(C)CC(C)(C)C)c(F)cc1Cl ZINC001209665355 1134048867 /nfs/dbraw/zinc/04/88/67/1134048867.db2.gz WPYSMUZWAJIOSM-UHFFFAOYSA-N 0 1 273.779 3.966 20 0 CHADMN Cc1cccn2cc(CN3CC[C@H]4CCCC[C@H]4C3)nc12 ZINC001209740422 1134056274 /nfs/dbraw/zinc/05/62/74/1134056274.db2.gz SYBUGXYDNWOWTQ-CVEARBPZSA-N 0 1 283.419 3.655 20 0 CHADMN C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1n[nH]c2ccc(Cl)cc21 ZINC001209755400 1134057079 /nfs/dbraw/zinc/05/70/79/1134057079.db2.gz JFGYJZQQSJMYDR-WDEREUQCSA-N 0 1 277.799 3.837 20 0 CHADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1n[nH]c2ccc(Cl)cc21 ZINC001209755400 1134057087 /nfs/dbraw/zinc/05/70/87/1134057087.db2.gz JFGYJZQQSJMYDR-WDEREUQCSA-N 0 1 277.799 3.837 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1n[nH]c2ccc(Cl)cc21 ZINC001209755400 1134057094 /nfs/dbraw/zinc/05/70/94/1134057094.db2.gz JFGYJZQQSJMYDR-WDEREUQCSA-N 0 1 277.799 3.837 20 0 CHADMN CSC1CCN(Cc2[nH]nc3ccc(Cl)cc32)CC1 ZINC001209755396 1134057697 /nfs/dbraw/zinc/05/76/97/1134057697.db2.gz JEAHWMKZQKJYKQ-UHFFFAOYSA-N 0 1 295.839 3.544 20 0 CHADMN Clc1ccc2[nH]nc(CN3CCC[C@H]4CCC[C@H]43)c2c1 ZINC001209756009 1134060527 /nfs/dbraw/zinc/06/05/27/1134060527.db2.gz VHPWTZKMMLZPQO-BDJLRTHQSA-N 0 1 289.810 3.981 20 0 CHADMN Clc1ccc2n[nH]c(CN3CCC[C@H]4CCC[C@H]43)c2c1 ZINC001209756009 1134060534 /nfs/dbraw/zinc/06/05/34/1134060534.db2.gz VHPWTZKMMLZPQO-BDJLRTHQSA-N 0 1 289.810 3.981 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2[nH]nc3ccc(Cl)cc32)C2(CC2)C1 ZINC001209758942 1134062050 /nfs/dbraw/zinc/06/20/50/1134062050.db2.gz KBGNWFANQAUJDN-JTQLQIEISA-N 0 1 275.783 3.591 20 0 CHADMN C[C@@H]1CN(Cc2[nH]nc3ccc(Cl)cc32)C2(CC2)C1 ZINC001209758942 1134062070 /nfs/dbraw/zinc/06/20/70/1134062070.db2.gz KBGNWFANQAUJDN-JTQLQIEISA-N 0 1 275.783 3.591 20 0 CHADMN C[C@@H]1CN(Cc2n[nH]c3ccc(Cl)cc32)C2(CC2)C1 ZINC001209758942 1134062077 /nfs/dbraw/zinc/06/20/77/1134062077.db2.gz KBGNWFANQAUJDN-JTQLQIEISA-N 0 1 275.783 3.591 20 0 CHADMN O=c1[nH]cc(Nc2ccc3nc[nH]c3c2)c2ccccc12 ZINC001209845341 1134078050 /nfs/dbraw/zinc/07/80/50/1134078050.db2.gz WVJLKVIRHAFGRB-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN c1nc2ccc(Nc3ccc(OCC4CCC4)nc3)cc2[nH]1 ZINC001209844799 1134078072 /nfs/dbraw/zinc/07/80/72/1134078072.db2.gz PSEPBDWILBYNLO-UHFFFAOYSA-N 0 1 294.358 3.880 20 0 CHADMN CC(=O)c1ccsc1Nc1ccc2nc[nH]c2c1 ZINC001209844985 1134079630 /nfs/dbraw/zinc/07/96/30/1134079630.db2.gz TXNCXRWXOHYXOQ-UHFFFAOYSA-N 0 1 257.318 3.571 20 0 CHADMN Cc1cc(Cl)nc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209844279 1134079875 /nfs/dbraw/zinc/07/98/75/1134079875.db2.gz KWHFCXVEUORLMH-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1cc2c(cccc2Nc2ccc3nc[nH]c3c2)nn1 ZINC001209847419 1134080276 /nfs/dbraw/zinc/08/02/76/1134080276.db2.gz PVEYYIQCZCBQHV-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN c1nc2ccc(Nc3cnc(C4CC4)s3)cc2[nH]1 ZINC001209847295 1134082346 /nfs/dbraw/zinc/08/23/46/1134082346.db2.gz FLBNLBKSBVSNIC-UHFFFAOYSA-N 0 1 256.334 3.640 20 0 CHADMN Cc1noc2ccc(Nc3ccc4nc[nH]c4c3)cc12 ZINC001209847501 1134082517 /nfs/dbraw/zinc/08/25/17/1134082517.db2.gz BUDYQIYVOIODRV-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cn1c(Nc2ccc3nc[nH]c3c2)cc2ccccc21 ZINC001209848377 1134083564 /nfs/dbraw/zinc/08/35/64/1134083564.db2.gz MOZCYSHTKOXQES-UHFFFAOYSA-N 0 1 262.316 3.798 20 0 CHADMN Cc1ccc(-n2nccc2Nc2ccc3nc[nH]c3c2)cc1 ZINC001209848956 1134085394 /nfs/dbraw/zinc/08/53/94/1134085394.db2.gz UKCADFWDQWYXBO-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN c1nc2ccc(Nc3ccc4cccnc4c3)cc2[nH]1 ZINC001209848718 1134085689 /nfs/dbraw/zinc/08/56/89/1134085689.db2.gz PHNJUMLCOSCJDT-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN COc1ccc(Nc2ccc3nc[nH]c3c2)c(C(C)=O)c1 ZINC001209851593 1134087254 /nfs/dbraw/zinc/08/72/54/1134087254.db2.gz WWXVCQFLAPINMF-UHFFFAOYSA-N 0 1 281.315 3.518 20 0 CHADMN Cc1cc(N)ncc1Nc1cnc2ccccc2c1Cl ZINC001209967779 1134111558 /nfs/dbraw/zinc/11/15/58/1134111558.db2.gz RIDXXRYTBBNYAZ-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(Oc2cccnc2)cc1 ZINC001209967349 1134111607 /nfs/dbraw/zinc/11/16/07/1134111607.db2.gz NQNPQXWFQHAMMT-UHFFFAOYSA-N 0 1 292.342 3.903 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(F)c(F)c1Cl ZINC001209971016 1134112237 /nfs/dbraw/zinc/11/22/37/1134112237.db2.gz PARFMBDDUMOPRE-UHFFFAOYSA-N 0 1 269.682 3.647 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(Cl)c(F)c1F ZINC001209970579 1134112449 /nfs/dbraw/zinc/11/24/49/1134112449.db2.gz ZCOARUUSOVBEFP-UHFFFAOYSA-N 0 1 269.682 3.647 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(CC(F)(F)F)cc1 ZINC001209969237 1134112751 /nfs/dbraw/zinc/11/27/51/1134112751.db2.gz IUUOIDCMNCYIAN-UHFFFAOYSA-N 0 1 281.281 3.821 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc2cc(O)ccc21 ZINC001209969768 1134112761 /nfs/dbraw/zinc/11/27/61/1134112761.db2.gz PSUJZBKVZJYPJE-UHFFFAOYSA-N 0 1 265.316 3.575 20 0 CHADMN CC(=O)c1cccc(Cl)c1Nc1cnc(N)cc1C ZINC001209972280 1134113253 /nfs/dbraw/zinc/11/32/53/1134113253.db2.gz JRKICWLTONUYGN-UHFFFAOYSA-N 0 1 275.739 3.572 20 0 CHADMN Oc1ccc(Nc2ccc3nccn3c2)cc1C(F)(F)F ZINC001209984657 1134116797 /nfs/dbraw/zinc/11/67/97/1134116797.db2.gz PFLKFAJKFAMDGK-UHFFFAOYSA-N 0 1 293.248 3.802 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccccc1OC(C)C ZINC001210020487 1134124208 /nfs/dbraw/zinc/12/42/08/1134124208.db2.gz HEPLJSWFLXAZPF-UHFFFAOYSA-N 0 1 281.359 3.703 20 0 CHADMN C[C@H]1CN(Cc2ccc(C(C)(C)C)cc2)C[C@H](C)O1 ZINC000166862524 1134140831 /nfs/dbraw/zinc/14/08/31/1134140831.db2.gz WUCBQFXSLNFGPN-KBPBESRZSA-N 0 1 261.409 3.593 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(C(C)(C)C)nn1C ZINC001210099980 1134145602 /nfs/dbraw/zinc/14/56/02/1134145602.db2.gz AZGXWHCFRDKNFN-UHFFFAOYSA-N 0 1 283.379 3.646 20 0 CHADMN Cc1cc(Nc2cc3cn[nH]c3cc2C)n(C(C)(C)C)n1 ZINC001210100296 1134145945 /nfs/dbraw/zinc/14/59/45/1134145945.db2.gz KWGVXGXATCTDRZ-UHFFFAOYSA-N 0 1 283.379 3.875 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc(Cl)n1 ZINC001210100080 1134146067 /nfs/dbraw/zinc/14/60/67/1134146067.db2.gz BLLSUQLNVOIMAM-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN CCOC(=O)c1ccc(Nc2cc3cn[nH]c3cc2C)cc1 ZINC001210102999 1134146480 /nfs/dbraw/zinc/14/64/80/1134146480.db2.gz SAGFSKLXIBXPSA-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN CC(=O)c1ccccc1Nc1cc2cn[nH]c2cc1C ZINC001210103046 1134146691 /nfs/dbraw/zinc/14/66/91/1134146691.db2.gz SMGPGLQUUBOWPY-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1nc(C)c(C)nc1Cl ZINC001210102073 1134146864 /nfs/dbraw/zinc/14/68/64/1134146864.db2.gz KUEOUFHLMDGJEH-UHFFFAOYSA-N 0 1 287.754 3.675 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccccc1P(C)(C)=O ZINC001210105350 1134147690 /nfs/dbraw/zinc/14/76/90/1134147690.db2.gz XTNCMSDYCJQIES-UHFFFAOYSA-N 0 1 299.314 3.863 20 0 CHADMN CC(=O)c1cc(Nc2cc3cn[nH]c3cc2C)ccc1O ZINC001210105349 1134147893 /nfs/dbraw/zinc/14/78/93/1134147893.db2.gz XTIMXHHWYZYAJT-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2c(c1)CCC2=O ZINC001210105332 1134147984 /nfs/dbraw/zinc/14/79/84/1134147984.db2.gz XCMRIDRXSQZMEN-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN Cc1ccc(Nc2cc3cn[nH]c3cc2C)c(O)c1 ZINC001210103689 1134148102 /nfs/dbraw/zinc/14/81/02/1134148102.db2.gz ZKRWKTPPIKMTLZ-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COc1c(F)c(F)ccc1Nc1cc2cn[nH]c2cc1C ZINC001210105692 1134148924 /nfs/dbraw/zinc/14/89/24/1134148924.db2.gz GZUDSHWCXHECTM-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1c(F)cc(Nc2nnc(-c3ccco3)o2)cc1F ZINC001210105559 1134149304 /nfs/dbraw/zinc/14/93/04/1134149304.db2.gz CPMNXGHPPROBBX-UHFFFAOYSA-N 0 1 277.230 3.660 20 0 CHADMN NC(=O)c1ccc(F)c(N=C2CCCCCCC2)c1 ZINC001210449511 1134217059 /nfs/dbraw/zinc/21/70/59/1134217059.db2.gz KOXLCXWBWVMITC-UHFFFAOYSA-N 0 1 262.328 3.575 20 0 CHADMN CCc1ncccc1Nc1cc(C)nc2ccccc21 ZINC001210464507 1134221877 /nfs/dbraw/zinc/22/18/77/1134221877.db2.gz YYYQFJJGIRSAPZ-UHFFFAOYSA-N 0 1 263.344 3.666 20 0 CHADMN Cc1cc(Nc2cccc([C@@H](C)O)c2)c2ccccc2n1 ZINC001210505964 1134232912 /nfs/dbraw/zinc/23/29/12/1134232912.db2.gz XSLDGUBWKGZYHR-CYBMUJFWSA-N 0 1 278.355 3.762 20 0 CHADMN Cc1cc(Nc2ccc([C@@H](C)O)cc2)c2ccccc2n1 ZINC001210640271 1134265818 /nfs/dbraw/zinc/26/58/18/1134265818.db2.gz JERHNHRGRIMZFB-CYBMUJFWSA-N 0 1 278.355 3.762 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(C)c(C(F)(F)F)c1 ZINC001210685833 1134274746 /nfs/dbraw/zinc/27/47/46/1134274746.db2.gz MHILIJUHBLQCEZ-UHFFFAOYSA-N 0 1 269.270 3.799 20 0 CHADMN CC(C)c1nnc(Nc2cc(Cl)c(O)c(Cl)c2)o1 ZINC001210922733 1134328287 /nfs/dbraw/zinc/32/82/87/1134328287.db2.gz ATFRYYDGFKJOQD-UHFFFAOYSA-N 0 1 288.134 3.949 20 0 CHADMN Oc1c(Cl)cc(Nc2ccnnc2Cl)cc1Cl ZINC001210927024 1134330082 /nfs/dbraw/zinc/33/00/82/1134330082.db2.gz PIUIYWJRYZADOV-UHFFFAOYSA-N 0 1 290.537 3.886 20 0 CHADMN Cc1cn2cccc(Nc3cccc([S-])c3)c2[nH+]1 ZINC001210945126 1134334664 /nfs/dbraw/zinc/33/46/64/1134334664.db2.gz DOXWXXAHLJNKNV-UHFFFAOYSA-N 0 1 255.346 3.675 20 0 CHADMN COc1ccc(-n2nccc2N=C(C)c2ccccc2)cc1 ZINC001210982576 1134341343 /nfs/dbraw/zinc/34/13/43/1134341343.db2.gz CAOLHAUQOWSXSY-UHFFFAOYSA-N 0 1 291.354 3.964 20 0 CHADMN CC(=Nc1ccc2nnc(C3CC3)n2c1)c1ccccc1 ZINC001210985455 1134343047 /nfs/dbraw/zinc/34/30/47/1134343047.db2.gz PAIXYFHYUQOXSQ-UHFFFAOYSA-N 0 1 276.343 3.690 20 0 CHADMN CC(=Nc1cccnc1N1CCCC1)c1ccccc1 ZINC001210983499 1134343322 /nfs/dbraw/zinc/34/33/22/1134343322.db2.gz WPENQRHHRSCDPY-UHFFFAOYSA-N 0 1 265.360 3.765 20 0 CHADMN COc1cc(N=C(C)c2ccccc2)ccc1C(C)=O ZINC001210989824 1134343999 /nfs/dbraw/zinc/34/39/99/1134343999.db2.gz ZPBIMWKVFRPAHH-UHFFFAOYSA-N 0 1 267.328 3.981 20 0 CHADMN C=C(Nc1ccc(C(=O)OC)c(F)c1)c1ccccc1 ZINC001210987703 1134344203 /nfs/dbraw/zinc/34/42/03/1134344203.db2.gz SFEYWAIISCZAGS-UHFFFAOYSA-N 0 1 271.291 3.695 20 0 CHADMN COc1c(Nc2ccc3c[nH+]ccc3c2)cccc1C(=O)[O-] ZINC001211036202 1134354255 /nfs/dbraw/zinc/35/42/55/1134354255.db2.gz BXDBKLOXCKIOOZ-UHFFFAOYSA-N 0 1 294.310 3.685 20 0 CHADMN Nc1nc2ccccc2n1-c1cccc(-c2cccnc2)c1 ZINC001211143393 1134380261 /nfs/dbraw/zinc/38/02/61/1134380261.db2.gz JEDLXHSBNLOSFQ-UHFFFAOYSA-N 0 1 286.338 3.670 20 0 CHADMN Cn1cncc1Nc1cc(OCc2ccccc2)ccc1F ZINC001211252676 1134399639 /nfs/dbraw/zinc/39/96/39/1134399639.db2.gz UGNXVIBGVUOGHH-UHFFFAOYSA-N 0 1 297.333 3.882 20 0 CHADMN Cc1ccc(Nc2cncn2C)c(C)c1Br ZINC001211252721 1134399751 /nfs/dbraw/zinc/39/97/51/1134399751.db2.gz WPVPUQNFMIJFCA-UHFFFAOYSA-N 0 1 280.169 3.543 20 0 CHADMN Cn1cncc1Nc1cc(Cl)c(F)c(Cl)c1 ZINC001211250729 1134399783 /nfs/dbraw/zinc/39/97/83/1134399783.db2.gz OPQNSNCLVNVTKE-UHFFFAOYSA-N 0 1 260.099 3.610 20 0 CHADMN CCC(CC)Oc1ccccc1Nc1cncn1C ZINC001211252713 1134400036 /nfs/dbraw/zinc/40/00/36/1134400036.db2.gz WJBBBKZWBDSWKY-UHFFFAOYSA-N 0 1 259.353 3.731 20 0 CHADMN Cc1nc2ccc(Nc3cc(C(C)(C)C)nn3C)cc2[nH]1 ZINC001213071290 1134419568 /nfs/dbraw/zinc/41/95/68/1134419568.db2.gz KALYMWHOAPGATH-UHFFFAOYSA-N 0 1 283.379 3.646 20 0 CHADMN Cc1nc2ccc(Nc3cc(-c4ccncc4)no3)cc2[nH]1 ZINC001213071308 1134419592 /nfs/dbraw/zinc/41/95/92/1134419592.db2.gz KTWNOUYZGQJQKU-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Cc1nc2cc(Nc3ccc(Cl)nc3C)ccc2[nH]1 ZINC001213071557 1134420235 /nfs/dbraw/zinc/42/02/35/1134420235.db2.gz XYNXFVQDVFNZKT-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1nc2cc(Nc3cc(F)cc(F)c3)ccc2[nH]1 ZINC001213073063 1134420838 /nfs/dbraw/zinc/42/08/38/1134420838.db2.gz BSCVWACZAYVWOD-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN COC(=O)c1cc(Nc2ccc3[nH]c(C)nc3c2)ccc1F ZINC001213074457 1134421898 /nfs/dbraw/zinc/42/18/98/1134421898.db2.gz VJPZRZQFUMEORJ-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1nc2cc(Nc3c(N)ccc(F)c3C)ccc2[nH]1 ZINC001213076634 1134422908 /nfs/dbraw/zinc/42/29/08/1134422908.db2.gz VZSYCPMILBUSQX-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN Cc1nc2cc(Nc3ccc4c(c3)CCO4)ccc2[nH]1 ZINC001213075286 1134423278 /nfs/dbraw/zinc/42/32/78/1134423278.db2.gz NAGYMCCPFDRWSM-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN COc1cc(Nc2ccc3c(c2)CCCC3=O)ncc1C ZINC001213103976 1134427547 /nfs/dbraw/zinc/42/75/47/1134427547.db2.gz IEJXOOHBEZBBEC-UHFFFAOYSA-N 0 1 282.343 3.661 20 0 CHADMN CC(C)(C)c1cc(N(c2ccc(N)cn2)C2CC2)ccn1 ZINC001213164362 1134432835 /nfs/dbraw/zinc/43/28/35/1134432835.db2.gz OSIPUWBMASNLDN-UHFFFAOYSA-N 0 1 282.391 3.657 20 0 CHADMN Cc1ncn(-c2ccc(C(C)(C)C(F)(F)F)cc2)c1N ZINC001213392229 1134446683 /nfs/dbraw/zinc/44/66/83/1134446683.db2.gz DFHZPFQZJHXVIO-UHFFFAOYSA-N 0 1 283.297 3.603 20 0 CHADMN Cc1ccc2nc(N)n(-c3c(F)cccc3C3CC3)c2c1 ZINC001213447800 1134449418 /nfs/dbraw/zinc/44/94/18/1134449418.db2.gz KMWSALKNBVDBQQ-UHFFFAOYSA-N 0 1 281.334 3.933 20 0 CHADMN Clc1cc(-c2nc(-c3cccc4ccccc43)no2)n[nH]1 ZINC001213500968 1134456102 /nfs/dbraw/zinc/45/61/02/1134456102.db2.gz UNQKKGOEXHDZEN-UHFFFAOYSA-N 0 1 296.717 3.933 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cncc(C)c1C ZINC001213528575 1134460261 /nfs/dbraw/zinc/46/02/61/1134460261.db2.gz GLBQYSPLAUWDLS-UHFFFAOYSA-N 0 1 270.311 3.537 20 0 CHADMN CC(C)n1ccc(CN(C)[C@H](C)Cc2ccsc2)n1 ZINC000176444068 1134470545 /nfs/dbraw/zinc/47/05/45/1134470545.db2.gz PKMDUWYAPSQFAM-CYBMUJFWSA-N 0 1 277.437 3.589 20 0 CHADMN Cc1nnc(S[C@H]2CCCCc3ccccc32)[nH]1 ZINC000177227524 1134490173 /nfs/dbraw/zinc/49/01/73/1134490173.db2.gz AVTTXNDBTMFPPD-ZDUSSCGKSA-N 0 1 259.378 3.673 20 0 CHADMN Cc1n[nH]c(S[C@H]2CCCCc3ccccc32)n1 ZINC000177227524 1134490176 /nfs/dbraw/zinc/49/01/76/1134490176.db2.gz AVTTXNDBTMFPPD-ZDUSSCGKSA-N 0 1 259.378 3.673 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cc(C)ccc1O ZINC001214223739 1134522973 /nfs/dbraw/zinc/52/29/73/1134522973.db2.gz VDSNKKORGONCDU-UHFFFAOYSA-N 0 1 271.295 3.539 20 0 CHADMN CCOc1cc(Nc2ccc3nccn3c2)ccc1C ZINC001214321149 1134527399 /nfs/dbraw/zinc/52/73/99/1134527399.db2.gz RVOPZZFPZTXTEP-UHFFFAOYSA-N 0 1 267.332 3.785 20 0 CHADMN CC(=O)c1cc(Nc2cc(C)nn2-c2ccncc2)cs1 ZINC001214778220 1134571106 /nfs/dbraw/zinc/57/11/06/1134571106.db2.gz IDPWLUXPAYRJQM-UHFFFAOYSA-N 0 1 298.371 3.583 20 0 CHADMN Cc1cccc(Nc2ccc(Cl)c(O)c2F)n1 ZINC001214791590 1134573049 /nfs/dbraw/zinc/57/30/49/1134573049.db2.gz ZCIHQIXSAIRZPJ-UHFFFAOYSA-N 0 1 252.676 3.632 20 0 CHADMN Cc1ccnc(F)c1Nc1ccc(Cl)c(O)c1F ZINC001214793864 1134574273 /nfs/dbraw/zinc/57/42/73/1134574273.db2.gz OHNOQQGYDTXINP-UHFFFAOYSA-N 0 1 270.666 3.771 20 0 CHADMN COc1cccc(OC)c1Nc1ccc(Cl)c(O)c1F ZINC001214799308 1134574581 /nfs/dbraw/zinc/57/45/81/1134574581.db2.gz QTHDXWFBENMHJA-UHFFFAOYSA-N 0 1 297.713 3.946 20 0 CHADMN Oc1c(Cl)ccc(Nc2cc3ccccn3n2)c1F ZINC001214798413 1134574827 /nfs/dbraw/zinc/57/48/27/1134574827.db2.gz QBYNIAIRMKPNNT-UHFFFAOYSA-N 0 1 277.686 3.576 20 0 CHADMN Oc1c(Cl)ccc(Nc2snc3cccnc32)c1F ZINC001214798498 1134575040 /nfs/dbraw/zinc/57/50/40/1134575040.db2.gz UNESQHMKPRFDPV-UHFFFAOYSA-N 0 1 295.726 3.933 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccc3c(c2)OCC3)c1F ZINC001214803877 1134575070 /nfs/dbraw/zinc/57/50/70/1134575070.db2.gz JLUDUALXFZLJNJ-UHFFFAOYSA-N 0 1 279.698 3.863 20 0 CHADMN COc1ccc(N)c(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214799371 1134575380 /nfs/dbraw/zinc/57/53/80/1134575380.db2.gz UIWGEJOERGPGDB-UHFFFAOYSA-N 0 1 282.702 3.519 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccc3c(c2)OCCO3)c1F ZINC001214798571 1134575478 /nfs/dbraw/zinc/57/54/78/1134575478.db2.gz WGQKGPLTELSKAO-UHFFFAOYSA-N 0 1 295.697 3.700 20 0 CHADMN Cc1c(CO)cccc1Nc1ccc(Cl)c(O)c1F ZINC001214802100 1134575511 /nfs/dbraw/zinc/57/55/11/1134575511.db2.gz VNJZHRWVYRNOPB-UHFFFAOYSA-N 0 1 281.714 3.729 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccc3nnsc3c2)c1F ZINC001214806548 1134576717 /nfs/dbraw/zinc/57/67/17/1134576717.db2.gz GRKUXDZQXLBUII-UHFFFAOYSA-N 0 1 295.726 3.933 20 0 CHADMN Cc1nnc(Nc2cc(C(C)C)ccc2Cl)o1 ZINC001215178710 1134605123 /nfs/dbraw/zinc/60/51/23/1134605123.db2.gz PZYPXQLTMXNMSI-UHFFFAOYSA-N 0 1 251.717 3.898 20 0 CHADMN CCCc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1 ZINC000401675317 1134617855 /nfs/dbraw/zinc/61/78/55/1134617855.db2.gz IKEBTKOTLKGGTK-HNNXBMFYSA-N 0 1 255.365 3.852 20 0 CHADMN Cc1cc(Cl)ccc1N[C@@H]1CCCc2[nH]ncc21 ZINC000401620893 1134617910 /nfs/dbraw/zinc/61/79/10/1134617910.db2.gz VUMRUGLTSRBDSP-CYBMUJFWSA-N 0 1 261.756 3.861 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H]1CCCc2n[nH]cc21 ZINC000401634819 1134618091 /nfs/dbraw/zinc/61/80/91/1134618091.db2.gz DFRWSUGUYSEMHQ-HOCLYGCPSA-N 0 1 299.418 3.992 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@H]1CCCc2n[nH]cc21 ZINC000401634818 1134618113 /nfs/dbraw/zinc/61/81/13/1134618113.db2.gz DFRWSUGUYSEMHQ-GOEBONIOSA-N 0 1 299.418 3.992 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc(F)c(F)c3Cl)c2c1 ZINC001215400032 1134624093 /nfs/dbraw/zinc/62/40/93/1134624093.db2.gz ZTBKAJZCHXCQGZ-UHFFFAOYSA-N 0 1 293.704 3.848 20 0 CHADMN CCOc1cc(C)ccc1N[C@@H]1CCCc2[nH]ncc21 ZINC000401941324 1134626742 /nfs/dbraw/zinc/62/67/42/1134626742.db2.gz MUPAGOVQZGACFF-CYBMUJFWSA-N 0 1 271.364 3.606 20 0 CHADMN COc1ccccc1[C@H](C)NCc1cc(C)nc(Cl)c1 ZINC000401929751 1134627228 /nfs/dbraw/zinc/62/72/28/1134627228.db2.gz VBGARPHDDHIOJB-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccc(F)c(OC(C)C)c1 ZINC001215493462 1134633574 /nfs/dbraw/zinc/63/35/74/1134633574.db2.gz AOWWFBUSFQCQDI-UHFFFAOYSA-N 0 1 299.349 3.842 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(Cl)c(C)c1F ZINC001215526113 1134637401 /nfs/dbraw/zinc/63/74/01/1134637401.db2.gz HAWRQCRHXCETMU-UHFFFAOYSA-N 0 1 253.708 3.573 20 0 CHADMN Fc1cc(Nc2cnc(Cl)c(F)c2)cc2[nH]ncc21 ZINC001215554176 1134639223 /nfs/dbraw/zinc/63/92/23/1134639223.db2.gz XUMXROHMQHZPTJ-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN Cc1nc2ccc(Nc3cc4[nH]ncc4c(F)c3)cc2o1 ZINC001215555932 1134640470 /nfs/dbraw/zinc/64/04/70/1134640470.db2.gz QUWYQMAVRHPHNO-UHFFFAOYSA-N 0 1 282.278 3.895 20 0 CHADMN Cc1ccc(Nc2cc3[nH]ncc3c(F)c2)c(F)c1 ZINC001215554798 1134640703 /nfs/dbraw/zinc/64/07/03/1134640703.db2.gz HWMYXEKWLATZPY-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN COc1cc(C)ccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555347 1134640853 /nfs/dbraw/zinc/64/08/53/1134640853.db2.gz IDQGZMXRCLJCTJ-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Nc1ccc(Cl)cc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215556002 1134641183 /nfs/dbraw/zinc/64/11/83/1134641183.db2.gz SQEZGDYDXMHKCL-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN Fc1cc(Nc2ccc(C(F)F)cn2)cc2[nH]ncc21 ZINC001215554848 1134641242 /nfs/dbraw/zinc/64/12/42/1134641242.db2.gz KADUWOKXZFFRBX-UHFFFAOYSA-N 0 1 278.237 3.778 20 0 CHADMN COc1nc(Cl)ccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555784 1134641389 /nfs/dbraw/zinc/64/13/89/1134641389.db2.gz OXMDFGUNFOCIPA-UHFFFAOYSA-N 0 1 292.701 3.503 20 0 CHADMN O=C1CCCc2cccc(Nc3cc4[nH]ncc4c(F)c3)c21 ZINC001215558091 1134642088 /nfs/dbraw/zinc/64/20/88/1134642088.db2.gz JCVZUXCBJPVGQL-UHFFFAOYSA-N 0 1 295.317 3.965 20 0 CHADMN C=CC(=O)Nc1cccc(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215558554 1134642521 /nfs/dbraw/zinc/64/25/21/1134642521.db2.gz BINXMQAUOBZHRV-UHFFFAOYSA-N 0 1 296.305 3.570 20 0 CHADMN CCc1ccc(O)c(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215556286 1134642663 /nfs/dbraw/zinc/64/26/63/1134642663.db2.gz YVKMCFSQJIRYBS-UHFFFAOYSA-N 0 1 271.295 3.714 20 0 CHADMN Cc1c(Nc2cc3[nH]ncc3c(F)c2)ccc2c1OCCO2 ZINC001215558561 1134642673 /nfs/dbraw/zinc/64/26/73/1134642673.db2.gz BOGBAOWLIJMDSI-UHFFFAOYSA-N 0 1 299.305 3.525 20 0 CHADMN Cn1ccc2c1cccc2Nc1cc2[nH]ncc2c(F)c1 ZINC001215556356 1134642714 /nfs/dbraw/zinc/64/27/14/1134642714.db2.gz BPHDGDGLIHNTJF-UHFFFAOYSA-N 0 1 280.306 3.937 20 0 CHADMN Cc1ccc(OC(C)C)cc1-n1c(N)nc2ccccc21 ZINC001215583400 1134647723 /nfs/dbraw/zinc/64/77/23/1134647723.db2.gz PYBVZQHYQBBGIK-UHFFFAOYSA-N 0 1 281.359 3.703 20 0 CHADMN Cc1ncn(-c2ccc3cc(OCC(C)C)ccc3c2)c1N ZINC001215679171 1134659147 /nfs/dbraw/zinc/65/91/47/1134659147.db2.gz HTEJPFLNOBROSC-UHFFFAOYSA-N 0 1 295.386 3.951 20 0 CHADMN Cc1ccc(Nc2cc(C(F)(F)F)no2)c2cn[nH]c21 ZINC001215754302 1134673502 /nfs/dbraw/zinc/67/35/02/1134673502.db2.gz SLKYRRKCNWHNPT-UHFFFAOYSA-N 0 1 282.225 3.622 20 0 CHADMN Cc1ccc(Nc2cc(C3CCC3)no2)c2cn[nH]c21 ZINC001215754586 1134673888 /nfs/dbraw/zinc/67/38/88/1134673888.db2.gz YAMPQDFMXVWGQD-UHFFFAOYSA-N 0 1 268.320 3.870 20 0 CHADMN Cc1ccc(Nc2cn3c(cccc3Cl)n2)c2cn[nH]c21 ZINC001215756247 1134674424 /nfs/dbraw/zinc/67/44/24/1134674424.db2.gz OXLGEFUWIRDRIK-UHFFFAOYSA-N 0 1 297.749 3.916 20 0 CHADMN CNc1ccnc(Cl)c1Nc1ccc(C)c2[nH]ncc21 ZINC001215755443 1134674500 /nfs/dbraw/zinc/67/45/00/1134674500.db2.gz QIHMDMJMOZTHLH-UHFFFAOYSA-N 0 1 287.754 3.705 20 0 CHADMN COC(=O)c1cccc(Nc2ccc(C)c3[nH]ncc32)c1C ZINC001215756972 1134674951 /nfs/dbraw/zinc/67/49/51/1134674951.db2.gz HXRRLFYDTJOTHL-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1ccc(Nc2ccc(O)cc2C)c2cn[nH]c21 ZINC001215758230 1134675714 /nfs/dbraw/zinc/67/57/14/1134675714.db2.gz LMEBRZSXNMUSLC-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COc1ccc(C)c(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215757764 1134676429 /nfs/dbraw/zinc/67/64/29/1134676429.db2.gz ZWUDCCLUFKCRKI-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN CCc1ccc(N)c(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215760020 1134677480 /nfs/dbraw/zinc/67/74/80/1134677480.db2.gz CYHHNVXCFVXNEE-UHFFFAOYSA-N 0 1 266.348 3.760 20 0 CHADMN CCc1cccc(-c2noc(-c3c(O)cccc3F)n2)c1 ZINC001215776824 1134683741 /nfs/dbraw/zinc/68/37/41/1134683741.db2.gz VKTASXQEERCAGU-UHFFFAOYSA-N 0 1 284.290 3.811 20 0 CHADMN Cc1cccc(-c2noc(-c3c(O)cccc3F)n2)c1F ZINC001215776445 1134683847 /nfs/dbraw/zinc/68/38/47/1134683847.db2.gz QFXXHOYFZAKWHD-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN COc1cccc(Nc2c(C)nc3ccc(F)cn32)c1C ZINC001215799786 1134690824 /nfs/dbraw/zinc/69/08/24/1134690824.db2.gz QKTNHNDRVPIRAC-UHFFFAOYSA-N 0 1 285.322 3.842 20 0 CHADMN O=C1Cc2ccc(Nc3cc(Cl)cc4[nH]ncc43)cc2C1 ZINC001215861641 1134705156 /nfs/dbraw/zinc/70/51/56/1134705156.db2.gz KDTBBQWLSQXKNE-UHFFFAOYSA-N 0 1 297.745 3.628 20 0 CHADMN O=C1OCc2cc(Nc3cc(Cl)cc4[nH]ncc43)ccc21 ZINC001215859873 1134705179 /nfs/dbraw/zinc/70/51/79/1134705179.db2.gz WIZHSQYWGCXONP-UHFFFAOYSA-N 0 1 299.717 3.630 20 0 CHADMN Clc1cc2[nH]ncc2c(Nc2cccc3cnncc32)c1 ZINC001215861139 1134705975 /nfs/dbraw/zinc/70/59/75/1134705975.db2.gz WNUCRRSDKXSYGQ-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Oc1c(F)cccc1-c1nc(-c2cccc(F)c2F)no1 ZINC001215862784 1134707317 /nfs/dbraw/zinc/70/73/17/1134707317.db2.gz DMPBQAPRZPGATK-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN CSc1cc(C)ccc1-n1c(N)nc2ccccc21 ZINC001215870699 1134708634 /nfs/dbraw/zinc/70/86/34/1134708634.db2.gz OCYJMRCGIJPXIQ-UHFFFAOYSA-N 0 1 269.373 3.638 20 0 CHADMN CSc1cc(F)cc(-n2c(N)nc3c2cccc3C)c1 ZINC001215901769 1134714033 /nfs/dbraw/zinc/71/40/33/1134714033.db2.gz AFTABFRBWWDKJS-UHFFFAOYSA-N 0 1 287.363 3.777 20 0 CHADMN Clc1ccc(Nc2ccc3nccn3c2)c2c[nH]nc21 ZINC001215939975 1134726404 /nfs/dbraw/zinc/72/64/04/1134726404.db2.gz DNUUAUMECRJAPV-UHFFFAOYSA-N 0 1 283.722 3.608 20 0 CHADMN CCc1cc(Nc2c(C)nc3ccc(F)cn32)ccc1N ZINC001216038003 1134756276 /nfs/dbraw/zinc/75/62/76/1134756276.db2.gz ZINOERHOGLGRBT-UHFFFAOYSA-N 0 1 284.338 3.670 20 0 CHADMN OCc1cc(Nc2cc(-c3ccccc3)cnc2F)ccn1 ZINC001216070603 1134766153 /nfs/dbraw/zinc/76/61/53/1134766153.db2.gz SLNNXMUOXMUUNA-UHFFFAOYSA-N 0 1 295.317 3.519 20 0 CHADMN CCc1cc(Nc2cc(C)nc3ccccc32)ccc1CO ZINC001216101374 1134778028 /nfs/dbraw/zinc/77/80/28/1134778028.db2.gz KKBZWHBCRRJJKF-UHFFFAOYSA-N 0 1 292.382 3.763 20 0 CHADMN Cc1nocc1NC1=CC[C@@H](OC(=O)c2ccccc2)CC1 ZINC001216166719 1134794876 /nfs/dbraw/zinc/79/48/76/1134794876.db2.gz YNKVBUZGGUFLJT-OAHLLOKOSA-N 0 1 298.342 3.688 20 0 CHADMN Cc1ncn(-c2ccc(-c3ccccc3)cc2C)c1N ZINC001216196384 1134807344 /nfs/dbraw/zinc/80/73/44/1134807344.db2.gz QLWQPMJXHBGKJT-UHFFFAOYSA-N 0 1 263.344 3.738 20 0 CHADMN CSc1cc(Nc2ccncc2)ccc1C(F)(F)F ZINC001216211944 1134809461 /nfs/dbraw/zinc/80/94/61/1134809461.db2.gz RLNIIWIIBZDXBM-UHFFFAOYSA-N 0 1 284.306 3.988 20 0 CHADMN CN(C)Cc1cccc(Nc2nc3c(s2)CCC3)c1F ZINC001216226843 1134812506 /nfs/dbraw/zinc/81/25/06/1134812506.db2.gz COAQHMBAJNBOQY-UHFFFAOYSA-N 0 1 291.395 3.576 20 0 CHADMN Cc1cc(Nc2cccc(CN(C)C)c2F)cc(Cl)n1 ZINC001216227502 1134813230 /nfs/dbraw/zinc/81/32/30/1134813230.db2.gz AEPIMAHEBMYGHY-UHFFFAOYSA-N 0 1 293.773 3.988 20 0 CHADMN Cc1nc(Cl)ccc1Nc1cccc(CN(C)C)c1F ZINC001216227838 1134813627 /nfs/dbraw/zinc/81/36/27/1134813627.db2.gz RNTBKVLSYIZCSY-UHFFFAOYSA-N 0 1 293.773 3.988 20 0 CHADMN CC(C)Cc1cc(Nc2cccc(CN(C)C)c2F)on1 ZINC001216226840 1134813743 /nfs/dbraw/zinc/81/37/43/1134813743.db2.gz CJHOXPJTTJTILM-UHFFFAOYSA-N 0 1 291.370 3.817 20 0 CHADMN Cc1cn2cccc(Nc3cccc(CN(C)C)c3F)c2n1 ZINC001216227834 1134814015 /nfs/dbraw/zinc/81/40/15/1134814015.db2.gz RFAWCJGQNLSVFG-UHFFFAOYSA-N 0 1 298.365 3.587 20 0 CHADMN Cc1cc(C)c(N)c(Nc2cccc(CN(C)C)c2F)c1 ZINC001216231037 1134814583 /nfs/dbraw/zinc/81/45/83/1134814583.db2.gz OPJKXXJKJDQWBG-UHFFFAOYSA-N 0 1 287.382 3.830 20 0 CHADMN Cc1ccc(N)c(Nc2cccc(CN(C)C)c2F)c1C ZINC001216230972 1134814893 /nfs/dbraw/zinc/81/48/93/1134814893.db2.gz LJISAHTXOBVJJR-UHFFFAOYSA-N 0 1 287.382 3.830 20 0 CHADMN CCN(c1ccccc1N)c1cccc(CN(C)C)c1F ZINC001216232221 1134815260 /nfs/dbraw/zinc/81/52/60/1134815260.db2.gz ZFEUQDZIKIXXDE-UHFFFAOYSA-N 0 1 287.382 3.628 20 0 CHADMN COc1ccc(Nc2cccc(CN(C)C)c2F)cc1C ZINC001216232167 1134816138 /nfs/dbraw/zinc/81/61/38/1134816138.db2.gz WONUEHDIPLLWBU-UHFFFAOYSA-N 0 1 288.366 3.948 20 0 CHADMN Cc1cc(F)c(Nc2cccc(CN(C)C)c2F)cc1O ZINC001216232423 1134817570 /nfs/dbraw/zinc/81/75/70/1134817570.db2.gz JROLRYWBZXKWEC-UHFFFAOYSA-N 0 1 292.329 3.784 20 0 CHADMN CC(C)c1ccc(Nc2cc(=O)[nH]c(Cl)n2)c(Cl)n1 ZINC001216445705 1134899184 /nfs/dbraw/zinc/89/91/84/1134899184.db2.gz NQNVZDDPXOTZBQ-UHFFFAOYSA-N 0 1 299.161 3.751 20 0 CHADMN COc1ccc(Nc2cncn2Cc2ccccc2)cc1 ZINC001216552704 1134917745 /nfs/dbraw/zinc/91/77/45/1134917745.db2.gz XZYMGECGLZVPJQ-UHFFFAOYSA-N 0 1 279.343 3.684 20 0 CHADMN Oc1cc(F)ccc1Nc1cncn1Cc1ccccc1 ZINC001216552642 1134918064 /nfs/dbraw/zinc/91/80/64/1134918064.db2.gz VQICCTMCIPYEEJ-UHFFFAOYSA-N 0 1 283.306 3.520 20 0 CHADMN Cc1ccc(Nc2cncn2Cc2ccccc2)c(F)n1 ZINC001216550518 1134918316 /nfs/dbraw/zinc/91/83/16/1134918316.db2.gz ZWLNVFJWGRRDJF-UHFFFAOYSA-N 0 1 282.322 3.518 20 0 CHADMN Clc1ccc(Nc2cncn2Cc2ccccc2)nc1 ZINC001216549656 1134918935 /nfs/dbraw/zinc/91/89/35/1134918935.db2.gz YYJVQDBALVYKFH-UHFFFAOYSA-N 0 1 284.750 3.723 20 0 CHADMN COc1ccc(Nc2cncn2Cc2ccccc2)cc1C ZINC001216553653 1134919595 /nfs/dbraw/zinc/91/95/95/1134919595.db2.gz RGAHBDWGOZKOQZ-UHFFFAOYSA-N 0 1 293.370 3.992 20 0 CHADMN CC(C)C[C@@H]1CC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000307775267 1134947554 /nfs/dbraw/zinc/94/75/54/1134947554.db2.gz MKLRLQZDRRGCJQ-LBPRGKRZSA-N 0 1 267.800 3.914 20 0 CHADMN CC(C)C[C@@H]1CC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000307775267 1134947558 /nfs/dbraw/zinc/94/75/58/1134947558.db2.gz MKLRLQZDRRGCJQ-LBPRGKRZSA-N 0 1 267.800 3.914 20 0 CHADMN Cc1nc2cc(-c3nc(-c4ccc(F)cc4)no3)ccc2[nH]1 ZINC001217245039 1134968532 /nfs/dbraw/zinc/96/85/32/1134968532.db2.gz YKDTWMOEXTURKI-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1cc(F)ccc1-c1noc(-c2cc3cccnc3[nH]2)n1 ZINC001217305830 1134971927 /nfs/dbraw/zinc/97/19/27/1134971927.db2.gz GACQDZINOKYOQZ-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1n[nH]c2ccc(-c3nc(-c4ccccc4F)no3)cc12 ZINC001217574712 1134983873 /nfs/dbraw/zinc/98/38/73/1134983873.db2.gz CWNGXXJIXXIOJB-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN CN[C@H](CC(C)C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC001217715785 1134990679 /nfs/dbraw/zinc/99/06/79/1134990679.db2.gz ZHLYNMLMWKFVHX-CQSZACIVSA-N 0 1 273.380 3.660 20 0 CHADMN CN[C@H](c1nnc(Cc2ccccc2Cl)o1)C(C)(C)C ZINC001217737477 1134994029 /nfs/dbraw/zinc/99/40/29/1134994029.db2.gz ZPLWHSDEEORVSJ-CYBMUJFWSA-N 0 1 293.798 3.620 20 0 CHADMN CN[C@H](c1nnc([C@@H]2C[C@@H]2c2ccc(C)cc2)o1)C(C)(C)C ZINC001217736725 1134994146 /nfs/dbraw/zinc/99/41/46/1134994146.db2.gz MXDFBWFOMKELRZ-RBSFLKMASA-N 0 1 299.418 3.956 20 0 CHADMN O=C(Nc1ccsc1)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001218534945 1135117704 /nfs/dbraw/zinc/11/77/04/1135117704.db2.gz FQKNIEBGOXLXHX-HUUCEWRRSA-N 0 1 286.400 3.570 20 0 CHADMN CN[C@H](C(=O)Nc1cc2ccccc2s1)c1ccccc1 ZINC001218580649 1135118690 /nfs/dbraw/zinc/11/86/90/1135118690.db2.gz HGJYXCIPYAOVJQ-INIZCTEOSA-N 0 1 296.395 3.801 20 0 CHADMN CO[C@@H]1C[C@@H](NCc2cc(Cl)sc2Cl)C1(C)C ZINC000312594997 1135134693 /nfs/dbraw/zinc/13/46/93/1135134693.db2.gz DGGINEODFRTBPC-RKDXNWHRSA-N 0 1 294.247 3.958 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1cccc(O)c1Br ZINC000315312061 1135153315 /nfs/dbraw/zinc/15/33/15/1135153315.db2.gz ACJONYQEWRRUKD-PHIMTYICSA-N 0 1 298.224 3.918 20 0 CHADMN Oc1cc(F)c(-c2cccc(-c3cccnc3)n2)cc1F ZINC001222083296 1135189850 /nfs/dbraw/zinc/18/98/50/1135189850.db2.gz YONAZDPIDKBTOE-UHFFFAOYSA-N 0 1 284.265 3.794 20 0 CHADMN CCOc1ccc(-c2cccc(CN(C)C)c2F)c(C)n1 ZINC001222122456 1135196495 /nfs/dbraw/zinc/19/64/95/1135196495.db2.gz XZFIVHZNJOGNLE-UHFFFAOYSA-N 0 1 288.366 3.656 20 0 CHADMN FC(F)(F)Oc1cccc(-c2nccc3[nH]cnc32)c1 ZINC001222312568 1135223709 /nfs/dbraw/zinc/22/37/09/1135223709.db2.gz UJUVARFUDDYUDT-UHFFFAOYSA-N 0 1 279.221 3.524 20 0 CHADMN FC(F)(F)Oc1cccc(-c2[nH]ccc3ncnc2-3)c1 ZINC001222312568 1135223713 /nfs/dbraw/zinc/22/37/13/1135223713.db2.gz UJUVARFUDDYUDT-UHFFFAOYSA-N 0 1 279.221 3.524 20 0 CHADMN Fc1ccccc1CN1CCC[C@@H](OCC2CCCC2)C1 ZINC001222709227 1135266004 /nfs/dbraw/zinc/26/60/04/1135266004.db2.gz WDTLNJKRIVHFJA-QGZVFWFLSA-N 0 1 291.410 3.997 20 0 CHADMN C[C@H](OCc1cnc[nH]1)c1cc(Cl)ccc1Cl ZINC001223008381 1135294524 /nfs/dbraw/zinc/29/45/24/1135294524.db2.gz XUXOTRIHVFCFNO-QMMMGPOBSA-N 0 1 271.147 3.994 20 0 CHADMN Clc1ccccc1CN1CC[C@H](OCc2ccoc2)C1 ZINC001223784759 1135382693 /nfs/dbraw/zinc/38/26/93/1135382693.db2.gz GSCFFCQBJJHVBY-HNNXBMFYSA-N 0 1 291.778 3.724 20 0 CHADMN CCCC[C@@H](Oc1[nH]c(=O)ncc1F)c1ccccc1 ZINC001225881092 1135633343 /nfs/dbraw/zinc/63/33/43/1135633343.db2.gz DUBNVBFJIJNSJR-CYBMUJFWSA-N 0 1 276.311 3.632 20 0 CHADMN Cc1cc(=O)[nH]c(O[C@@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC001226157429 1135669251 /nfs/dbraw/zinc/66/92/51/1135669251.db2.gz YSTRUVHUTLTKBY-VIFPVBQESA-N 0 1 298.264 3.649 20 0 CHADMN c1cnc2[nH]nc(O[C@@H]3CC[C@H]4CCCC[C@@H]4C3)c2c1 ZINC001226301512 1135681984 /nfs/dbraw/zinc/68/19/84/1135681984.db2.gz BQHJWFODWUOGGH-JHJVBQTASA-N 0 1 271.364 3.696 20 0 CHADMN CCCCC(=O)[C@@H](CCCC)Oc1n[nH]c2ncccc12 ZINC001226305133 1135682614 /nfs/dbraw/zinc/68/26/14/1135682614.db2.gz HQCNLRXCXIOUTH-CQSZACIVSA-N 0 1 289.379 3.655 20 0 CHADMN CC[C@H](Oc1n[nH]c2ncccc12)c1cccc(F)c1C ZINC001226302051 1135682789 /nfs/dbraw/zinc/68/27/89/1135682789.db2.gz GRSGBOMTTBGZHQ-AWEZNQCLSA-N 0 1 285.322 3.936 20 0 CHADMN CC[C@@H](Oc1n[nH]c2ncccc12)c1cccc(F)c1C ZINC001226302052 1135682935 /nfs/dbraw/zinc/68/29/35/1135682935.db2.gz GRSGBOMTTBGZHQ-CQSZACIVSA-N 0 1 285.322 3.936 20 0 CHADMN CC[C@H](Oc1n[nH]c2ncccc12)C1CCCCC1 ZINC001226306665 1135683334 /nfs/dbraw/zinc/68/33/34/1135683334.db2.gz XEJCMEGROHDOOG-ZDUSSCGKSA-N 0 1 259.353 3.696 20 0 CHADMN CCC[C@@H]1CCCC[C@H]1Oc1n[nH]c2ncccc12 ZINC001226306533 1135683545 /nfs/dbraw/zinc/68/35/45/1135683545.db2.gz UMSWBCVPUFZJRW-DGCLKSJQSA-N 0 1 259.353 3.696 20 0 CHADMN COc1cccc([C@H](C)Oc2nc3ccc(F)cc3[nH]2)c1 ZINC001226701192 1135730478 /nfs/dbraw/zinc/73/04/78/1135730478.db2.gz MFQDENBLQTUYDB-JTQLQIEISA-N 0 1 286.306 3.851 20 0 CHADMN C[C@H](Oc1nc2ccc(F)cc2[nH]1)c1cccnc1Cl ZINC001226700823 1135730662 /nfs/dbraw/zinc/73/06/62/1135730662.db2.gz FTCQMKUNLVJNNK-QMMMGPOBSA-N 0 1 291.713 3.890 20 0 CHADMN CCCCC(=O)c1ccc(O[C@H]2CCCN(C)C2)cc1 ZINC001226772005 1135739375 /nfs/dbraw/zinc/73/93/75/1135739375.db2.gz ISRXCELPBPNTJD-INIZCTEOSA-N 0 1 275.392 3.533 20 0 CHADMN COc1ccccc1[C@@H](C)Oc1ccc2nc[nH]c2c1 ZINC001226927769 1135761571 /nfs/dbraw/zinc/76/15/71/1135761571.db2.gz AVQZYWBNLKFHJA-LLVKDONJSA-N 0 1 268.316 3.712 20 0 CHADMN c1nc2ccc(O[C@@H]3C[C@@H](OCc4ccccc4)C3)cc2[nH]1 ZINC001226930791 1135763074 /nfs/dbraw/zinc/76/30/74/1135763074.db2.gz YDMHVFHFRPXOSB-WKILWMFISA-N 0 1 294.354 3.690 20 0 CHADMN FC1(F)C[C@H](Oc2nc3ccc(Cl)cc3[nH]2)C1(F)F ZINC001227265259 1135812575 /nfs/dbraw/zinc/81/25/75/1135812575.db2.gz AASRMPORMFOEDR-QMMMGPOBSA-N 0 1 294.635 3.638 20 0 CHADMN Clc1ccc2nc(OC(C3CC3)C3CC3)[nH]c2c1 ZINC001227262247 1135812640 /nfs/dbraw/zinc/81/26/40/1135812640.db2.gz KPXBJNTYNFPRTJ-UHFFFAOYSA-N 0 1 262.740 3.784 20 0 CHADMN Cc1cccc2nc(O[C@H]3CCCc4cccnc43)[nH]c21 ZINC001227273408 1135814029 /nfs/dbraw/zinc/81/40/29/1135814029.db2.gz XPXDFMNRBANLHP-AWEZNQCLSA-N 0 1 279.343 3.723 20 0 CHADMN Cc1ccc2nc(=O)[nH]c(O[C@H](C)c3cccc(F)c3)c2c1 ZINC001227348104 1135823619 /nfs/dbraw/zinc/82/36/19/1135823619.db2.gz WMLPGLZRGQSCMC-LLVKDONJSA-N 0 1 298.317 3.923 20 0 CHADMN Cc1nnc(=S)[nH]c1O[C@H](C)c1ccc2ccccc2c1 ZINC001227601559 1135849010 /nfs/dbraw/zinc/84/90/10/1135849010.db2.gz ZEIRXCDESQOXBJ-LLVKDONJSA-N 0 1 297.383 3.762 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2ccccc2C(F)(F)F)n1C ZINC000573339138 334929405 /nfs/dbraw/zinc/92/94/05/334929405.db2.gz FRYMKHNELDIGRE-JTQLQIEISA-N 0 1 297.324 3.598 20 0 CHADMN Cc1cccc(C)c1CNc1ccc2c[nH]nc2c1 ZINC000083385240 178393290 /nfs/dbraw/zinc/39/32/90/178393290.db2.gz UCKXRECSDMBMFE-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN CC[C@@H]1CN(Cc2cccc(-c3ccncc3)c2)C[C@@H](C)O1 ZINC000352717749 529397360 /nfs/dbraw/zinc/39/73/60/529397360.db2.gz CBVFATYYKYVIAP-DNVCBOLYSA-N 0 1 296.414 3.748 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1nccn1C(F)F ZINC000353805918 529406932 /nfs/dbraw/zinc/40/69/32/529406932.db2.gz OSPJVNPJWNFPKN-NEPJUHHUSA-N 0 1 271.355 3.679 20 0 CHADMN Cc1cccc(C)c1CNCc1cc(F)ccc1F ZINC000083446766 178460729 /nfs/dbraw/zinc/46/07/29/178460729.db2.gz QUACHSGHKWVXJX-UHFFFAOYSA-N 0 1 261.315 3.871 20 0 CHADMN CCc1nc(CN(C)[C@H]2CCC(C)(C)C2)cs1 ZINC000344594682 529735330 /nfs/dbraw/zinc/73/53/30/529735330.db2.gz BEHZNCZKKNXZSQ-LBPRGKRZSA-N 0 1 252.427 3.716 20 0 CHADMN CCc1nc(CN2CCCC[C@@H]2c2cccc(C)c2C)n[nH]1 ZINC000354839242 529735815 /nfs/dbraw/zinc/73/58/15/529735815.db2.gz CXZRXFPIJRRBDM-MRXNPFEDSA-N 0 1 298.434 3.711 20 0 CHADMN CCc1nc(CNCC(C)(C)Oc2ccccc2)cs1 ZINC000344473953 529739810 /nfs/dbraw/zinc/73/98/10/529739810.db2.gz YGLPZGRBVGZAPG-UHFFFAOYSA-N 0 1 290.432 3.653 20 0 CHADMN CCc1nc2c(s1)[C@@H](N(C)CCC(F)(F)F)CCC2 ZINC000355878686 529747462 /nfs/dbraw/zinc/74/74/62/529747462.db2.gz IRCWVMTUFZSUCM-JTQLQIEISA-N 0 1 292.370 3.967 20 0 CHADMN CN(Cc1ccoc1)Cc1cccc(-c2cccnc2)c1 ZINC000352654333 530012849 /nfs/dbraw/zinc/01/28/49/530012849.db2.gz KIKPDXLHEIHMFT-UHFFFAOYSA-N 0 1 278.355 3.974 20 0 CHADMN CC(C)SCCNCc1coc(-c2ccccc2)n1 ZINC000342098649 535113322 /nfs/dbraw/zinc/11/33/22/535113322.db2.gz GEDJDALMUQRILJ-UHFFFAOYSA-N 0 1 276.405 3.573 20 0 CHADMN Fc1cccc(CNc2nccn2-c2ccccc2)c1F ZINC000573869305 334973563 /nfs/dbraw/zinc/97/35/63/334973563.db2.gz DVYCRCOLKCAUAT-UHFFFAOYSA-N 0 1 285.297 3.763 20 0 CHADMN C[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1ccoc1 ZINC000168619129 334985275 /nfs/dbraw/zinc/98/52/75/334985275.db2.gz VEZBCVWDSFYEBM-SECBINFHSA-N 0 1 285.265 3.871 20 0 CHADMN FC1(CCNc2noc3ccc(Cl)cc32)CCC1 ZINC000574209668 335001145 /nfs/dbraw/zinc/00/11/45/335001145.db2.gz UCNMQBABDSUAPM-UHFFFAOYSA-N 0 1 268.719 3.597 20 0 CHADMN Cc1oc([C@@H](C)[N@H+]2CC[C@@H](CC(C)C)C2)cc1C(=O)[O-] ZINC000574285034 335007077 /nfs/dbraw/zinc/00/70/77/335007077.db2.gz ZSABXPVVWZUPJS-YPMHNXCESA-N 0 1 279.380 3.715 20 0 CHADMN CCOCCO[C@H]1CCN([C@H](C)c2ccc(Cl)cc2)C1 ZINC000157851116 261154025 /nfs/dbraw/zinc/15/40/25/261154025.db2.gz MDGUUBQLGIPZSS-CJNGLKHVSA-N 0 1 297.826 3.528 20 0 CHADMN C[C@@H]1OCC[C@]1(C)NCc1cc(Cl)sc1Cl ZINC000312631620 326932567 /nfs/dbraw/zinc/93/25/67/326932567.db2.gz URKRUEXNLOZQDM-CPCISQLKSA-N 0 1 280.220 3.712 20 0 CHADMN CC(C)CCc1noc(CN(C)[C@@H]2CCC(C)(C)C2)n1 ZINC000361468645 261282355 /nfs/dbraw/zinc/28/23/55/261282355.db2.gz IDBHEROEOAYBLV-CYBMUJFWSA-N 0 1 279.428 3.669 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000176609781 261300160 /nfs/dbraw/zinc/30/01/60/261300160.db2.gz IWPOTENHXGHXIC-GHMZBOCLSA-N 0 1 281.783 3.696 20 0 CHADMN CC(C)[C@@H](Cc1ccccc1)c1nc(C2(N)CCCC2)no1 ZINC000574451628 335020768 /nfs/dbraw/zinc/02/07/68/335020768.db2.gz FPKWDOHGEBLLLS-OAHLLOKOSA-N 0 1 299.418 3.780 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000574524644 335026821 /nfs/dbraw/zinc/02/68/21/335026821.db2.gz DZKIMAFEPRPQSC-QGZVFWFLSA-N 0 1 299.345 3.861 20 0 CHADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@@H](C)[C@H](C)C2CCCCC2)n1 ZINC000574581001 335031560 /nfs/dbraw/zinc/03/15/60/335031560.db2.gz LFZXLMUMIVCUFQ-IHRRRGAJSA-N 0 1 291.439 3.746 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)Cc1c(F)cccc1Cl ZINC000576642565 335229730 /nfs/dbraw/zinc/22/97/30/335229730.db2.gz FWWDUNDFPONGHS-CYBMUJFWSA-N 0 1 287.762 3.554 20 0 CHADMN CCCN(Cc1conc1CC)Cc1ccc(C)cc1 ZINC000574658519 335037859 /nfs/dbraw/zinc/03/78/59/335037859.db2.gz XXBHDXSRZQDWAD-UHFFFAOYSA-N 0 1 272.392 3.958 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@@H]1CCCc2n[nH]cc21 ZINC000367617011 261927238 /nfs/dbraw/zinc/92/72/38/261927238.db2.gz PFDQNZBDNNZBPX-SMDDNHRTSA-N 0 1 287.432 3.860 20 0 CHADMN Cc1ccc(SC[C@@H](C)NCc2cscn2)cc1 ZINC000185798522 262072061 /nfs/dbraw/zinc/07/20/61/262072061.db2.gz JFSMXPZEAJITEA-GFCCVEGCSA-N 0 1 278.446 3.722 20 0 CHADMN CO[C@H](C)c1nc(CN(C)[C@H]2CCC(C)(C)C2)cs1 ZINC000344470911 533122770 /nfs/dbraw/zinc/12/27/70/533122770.db2.gz XGBBSXRXWLBVSS-YPMHNXCESA-N 0 1 282.453 3.861 20 0 CHADMN CC(C)C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000574884423 335055215 /nfs/dbraw/zinc/05/52/15/335055215.db2.gz QVBPDTNSCVMUHZ-GFCCVEGCSA-N 0 1 295.810 3.906 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H](C)C[C@H]1C)c1nc(C(C)(C)C)no1 ZINC000119311970 262159515 /nfs/dbraw/zinc/15/95/15/262159515.db2.gz RBMHRFOXWKEOIG-NDBYEHHHSA-N 0 1 279.428 3.842 20 0 CHADMN CC[C@@H](C)[N@H+](Cc1ccccc1)Cc1ncccc1[O-] ZINC000575026370 335056857 /nfs/dbraw/zinc/05/68/57/335056857.db2.gz RJNGNIAOWCHGIA-CQSZACIVSA-N 0 1 270.376 3.588 20 0 CHADMN CC[C@@H](C)[N@@H+](Cc1ccccc1)Cc1ncccc1[O-] ZINC000575026370 335056858 /nfs/dbraw/zinc/05/68/58/335056858.db2.gz RJNGNIAOWCHGIA-CQSZACIVSA-N 0 1 270.376 3.588 20 0 CHADMN C[C@@H](CCc1ccccc1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000519943700 260026153 /nfs/dbraw/zinc/02/61/53/260026153.db2.gz NWDIJQDSAQSZMC-GJZGRUSLSA-N 0 1 261.409 3.507 20 0 CHADMN Cc1cc(CN2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000179621279 260058482 /nfs/dbraw/zinc/05/84/82/260058482.db2.gz CULBAUCXACYCOE-GFCCVEGCSA-N 0 1 275.289 3.908 20 0 CHADMN CCCn1nc(C)c(CN(CC)Cc2cccs2)c1C ZINC000179720087 260065425 /nfs/dbraw/zinc/06/54/25/260065425.db2.gz XJWRKRJSZGIHBQ-UHFFFAOYSA-N 0 1 291.464 3.994 20 0 CHADMN COc1c(C)cnc(CN2CCC=C(c3ccco3)C2)c1C ZINC000352563308 533412889 /nfs/dbraw/zinc/41/28/89/533412889.db2.gz PRGFINVBNMCZNA-UHFFFAOYSA-N 0 1 298.386 3.589 20 0 CHADMN C[C@@H](NC[C@H]1CCSC1)c1nc(C2CCCCC2)no1 ZINC000330178994 533434174 /nfs/dbraw/zinc/43/41/74/533434174.db2.gz MBGJFMKGGSLNMV-VXGBXAGGSA-N 0 1 295.452 3.521 20 0 CHADMN Cc1nccc(N[C@H]2CCOc3ccc(F)cc32)c1Cl ZINC000352845109 533638279 /nfs/dbraw/zinc/63/82/79/533638279.db2.gz FDAZFHLOWZCECZ-LBPRGKRZSA-N 0 1 292.741 3.540 20 0 CHADMN Cc1nc2ccc(NC(=O)Cc3cc(C)ccc3C)cc2[nH]1 ZINC000341755850 130023054 /nfs/dbraw/zinc/02/30/54/130023054.db2.gz IXITVJQMVTZTJN-UHFFFAOYSA-N 0 1 293.370 3.669 20 0 CHADMN CC(C)C[C@H](N[C@H](C)c1nccn1C)c1cccs1 ZINC000341760554 130026767 /nfs/dbraw/zinc/02/67/67/130026767.db2.gz LXEXCPUEOMGAAE-OLZOCXBDSA-N 0 1 277.437 3.920 20 0 CHADMN C[C@H]1CN(CCCCCF)[C@H](c2ccccc2)CO1 ZINC000341887399 130112411 /nfs/dbraw/zinc/11/24/11/130112411.db2.gz HXRJSHIBWHJLTN-HOCLYGCPSA-N 0 1 265.372 3.588 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CC[C@]2(C1)CCCOC2 ZINC000341987721 130210353 /nfs/dbraw/zinc/21/03/53/130210353.db2.gz HTCRTMVFIUNQKR-LRDDRELGSA-N 0 1 281.346 3.528 20 0 CHADMN CCCCc1nc(CN2[C@H](C)CC[C@@H]2C)cs1 ZINC000342033962 130249021 /nfs/dbraw/zinc/24/90/21/130249021.db2.gz DFRQCXWIPUJAGA-TXEJJXNPSA-N 0 1 252.427 3.859 20 0 CHADMN CCc1nc(S[C@H]2CCc3ccc(Cl)cc32)n[nH]1 ZINC000342182855 130317889 /nfs/dbraw/zinc/31/78/89/130317889.db2.gz AIRSWFTUFACSFO-NSHDSACASA-N 0 1 279.796 3.800 20 0 CHADMN CCc1n[nH]c(S[C@H]2CCc3ccc(Cl)cc32)n1 ZINC000342182855 130317892 /nfs/dbraw/zinc/31/78/92/130317892.db2.gz AIRSWFTUFACSFO-NSHDSACASA-N 0 1 279.796 3.800 20 0 CHADMN Fc1cc(-c2ccncc2)ccc1CN[C@@H]1C[C@H]1C(F)F ZINC000342185293 130319971 /nfs/dbraw/zinc/31/99/71/130319971.db2.gz CLEMKFKMGCNVPI-UKRRQHHQSA-N 0 1 292.304 3.631 20 0 CHADMN FC(F)[C@H]1C[C@@H]1NCc1nc(-c2ccccc2)cs1 ZINC000342201741 130380684 /nfs/dbraw/zinc/38/06/84/130380684.db2.gz GETIASDCIVWXMH-QWRGUYRKSA-N 0 1 280.343 3.553 20 0 CHADMN CCc1noc(C)c1CN(C)Cc1ccc(CC)cc1 ZINC000342204020 130382427 /nfs/dbraw/zinc/38/24/27/130382427.db2.gz GLOSNUWEPWXJPF-UHFFFAOYSA-N 0 1 272.392 3.740 20 0 CHADMN C[C@@H](NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cccc(F)c1F ZINC000447594201 260067614 /nfs/dbraw/zinc/06/76/14/260067614.db2.gz XOEYUKUVSGIJGV-OCCSQVGLSA-N 0 1 294.389 3.632 20 0 CHADMN O=C(Nc1ccc(F)cc1F)c1cc(-c2ccccc2)n[nH]1 ZINC000007774607 170301211 /nfs/dbraw/zinc/30/12/11/170301211.db2.gz YRBSMVMPEJTGHV-UHFFFAOYSA-N 0 1 299.280 3.607 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1[C@@H](C)CCC[C@@H]1C ZINC000009997615 170393822 /nfs/dbraw/zinc/39/38/22/170393822.db2.gz DKXAQGYGANHKIW-RYUDHWBXSA-N 0 1 294.826 3.850 20 0 CHADMN Cc1ccc(NC(=O)CN2[C@H](C)CCC[C@H]2C)c(C)c1 ZINC000009997804 170394199 /nfs/dbraw/zinc/39/41/99/170394199.db2.gz HQFRGMGNEUDAHN-HUUCEWRRSA-N 0 1 274.408 3.505 20 0 CHADMN Cc1ccc(NC(=O)CN2[C@H](C)CCC[C@@H]2C)cc1C ZINC000009997870 170394382 /nfs/dbraw/zinc/39/43/82/170394382.db2.gz JOVAUKKLMHIUGH-GASCZTMLSA-N 0 1 274.408 3.505 20 0 CHADMN C[C@@H](NCc1ccccc1F)c1ccc(F)c(F)c1 ZINC000019950274 170939006 /nfs/dbraw/zinc/93/90/06/170939006.db2.gz WLQNSJDYZRHMPH-SNVBAGLBSA-N 0 1 265.278 3.955 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)c(F)c1)c1ccncc1 ZINC000020121415 171000304 /nfs/dbraw/zinc/00/03/04/171000304.db2.gz CISGECJFSHWSDQ-GHMZBOCLSA-N 0 1 262.303 3.772 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccncc1 ZINC000020121413 171000556 /nfs/dbraw/zinc/00/05/56/171000556.db2.gz CISGECJFSHWSDQ-MNOVXSKESA-N 0 1 262.303 3.772 20 0 CHADMN COc1cccc([C@@H](C)N[C@H](C)c2ccccn2)c1 ZINC000020123409 171004429 /nfs/dbraw/zinc/00/44/29/171004429.db2.gz QCGSNYXNKNNSNI-CHWSQXEVSA-N 0 1 256.349 3.502 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccn1)c1ccc(F)c(F)c1 ZINC000020123545 171004609 /nfs/dbraw/zinc/00/46/09/171004609.db2.gz WQANCAYKEGTQOB-MNOVXSKESA-N 0 1 262.303 3.772 20 0 CHADMN C[C@H](NCc1ccc(Br)s1)c1ccccn1 ZINC000020123690 171005018 /nfs/dbraw/zinc/00/50/18/171005018.db2.gz IOPJVRDIBIYYTQ-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN C[C@H](N[C@H]1CCSc2ccccc21)c1ccccn1 ZINC000020123505 171005040 /nfs/dbraw/zinc/00/50/40/171005040.db2.gz MDFVNKPYBSFMRM-WFASDCNBSA-N 0 1 270.401 3.969 20 0 CHADMN C[C@@H](NCc1cccc(O)c1)c1ccccc1Cl ZINC000020124108 171005822 /nfs/dbraw/zinc/00/58/22/171005822.db2.gz OBEOVTYJOLVSPP-LLVKDONJSA-N 0 1 261.752 3.896 20 0 CHADMN C[C@@H](NCc1cnn(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000020126074 171009381 /nfs/dbraw/zinc/00/93/81/171009381.db2.gz CTNUMZOYKSYSKK-SECBINFHSA-N 0 1 284.190 3.578 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccs2)c(OC)c1 ZINC000020139403 171026049 /nfs/dbraw/zinc/02/60/49/171026049.db2.gz DBGNDSOMDXXZML-LLVKDONJSA-N 0 1 277.389 3.616 20 0 CHADMN C[C@H](NCc1cccs1)c1cc(F)ccc1F ZINC000020139333 171026297 /nfs/dbraw/zinc/02/62/97/171026297.db2.gz QQBBDOYVMZQHQX-VIFPVBQESA-N 0 1 253.317 3.877 20 0 CHADMN Fc1ccc(CN[C@@H]2CCCc3occc32)cc1F ZINC000020203961 171068281 /nfs/dbraw/zinc/06/82/81/171068281.db2.gz IKHVSRMUULFXSQ-CQSZACIVSA-N 0 1 263.287 3.725 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2occc21)c1cccc(O)c1 ZINC000020204573 171069062 /nfs/dbraw/zinc/06/90/62/171069062.db2.gz GTASSAZFGJNRGV-IAQYHMDHSA-N 0 1 257.333 3.713 20 0 CHADMN C[C@@H](NCc1c(Cl)cccc1Cl)[C@H]1CCCO1 ZINC000020207834 171072099 /nfs/dbraw/zinc/07/20/99/171072099.db2.gz XVFMWVVVTATNHO-NOZJJQNGSA-N 0 1 274.191 3.651 20 0 CHADMN C[C@H](NCc1ccco1)c1cccc(Br)c1 ZINC000022215105 171375564 /nfs/dbraw/zinc/37/55/64/171375564.db2.gz UQPOVBNHUOYRCH-JTQLQIEISA-N 0 1 280.165 3.893 20 0 CHADMN Clc1ccc(Cl)c(CNC[C@H]2CCCO2)c1Cl ZINC000035054911 171957270 /nfs/dbraw/zinc/95/72/70/171957270.db2.gz ARGJRQFLTLAGAS-MRVPVSSYSA-N 0 1 294.609 3.915 20 0 CHADMN COc1ccc(C)cc1CN[C@H](C)c1ccccc1OC ZINC000035162010 172022410 /nfs/dbraw/zinc/02/24/10/172022410.db2.gz QDDRUTQQXVAPNG-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN Clc1cc(Cl)cc(CNCc2cccnc2)c1 ZINC000037423670 173199121 /nfs/dbraw/zinc/19/91/21/173199121.db2.gz HESKNYYVTAEFBH-UHFFFAOYSA-N 0 1 267.159 3.678 20 0 CHADMN [O-]c1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1Cl ZINC000043477335 175054896 /nfs/dbraw/zinc/05/48/96/175054896.db2.gz IFLBZQUCTYDHSE-UHFFFAOYSA-N 0 1 282.170 3.989 20 0 CHADMN CCCN(CC)Cc1sccc1Br ZINC000043677641 175088674 /nfs/dbraw/zinc/08/86/74/175088674.db2.gz IZBYQYCAEWDWOG-UHFFFAOYSA-N 0 1 262.216 3.743 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2ccc(Br)s2)C1 ZINC000043677593 175088977 /nfs/dbraw/zinc/08/89/77/175088977.db2.gz HAOZBISQYOESQI-NXEZZACHSA-N 0 1 288.254 3.989 20 0 CHADMN CC[C@@H](NCc1ncccc1C)c1ccc(F)cc1 ZINC000071339441 176129897 /nfs/dbraw/zinc/12/98/97/176129897.db2.gz WTHAVNHAQKYKHQ-OAHLLOKOSA-N 0 1 258.340 3.770 20 0 CHADMN CCCCC[C@H](C)NCc1nc(-c2ccccc2)no1 ZINC000072103142 176315847 /nfs/dbraw/zinc/31/58/47/176315847.db2.gz LSYOBDRWHZVVGV-ZDUSSCGKSA-N 0 1 273.380 3.795 20 0 CHADMN COc1cccc(-c2nc(CN3CCCC[C@@H]3C)co2)c1 ZINC000072180754 176334759 /nfs/dbraw/zinc/33/47/59/176334759.db2.gz UBWOJOQHWUGLIC-ZDUSSCGKSA-N 0 1 286.375 3.725 20 0 CHADMN Clc1ccc(-c2nc(CN3CCCCC3)co2)cc1 ZINC000072181713 176335426 /nfs/dbraw/zinc/33/54/26/176335426.db2.gz MXVQAKJTIPUJLD-UHFFFAOYSA-N 0 1 276.767 3.981 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@H](C)c1cnn(C)c1C ZINC000037167538 260072890 /nfs/dbraw/zinc/07/28/90/260072890.db2.gz PPUMFIMOXBOHQZ-QWHCGFSZSA-N 0 1 287.407 3.539 20 0 CHADMN CN(Cc1cnn(C(C)(C)C)c1)[C@@H]1CCc2ccccc21 ZINC000179909311 260080037 /nfs/dbraw/zinc/08/00/37/260080037.db2.gz QWDAXULCWNUAPD-QGZVFWFLSA-N 0 1 283.419 3.757 20 0 CHADMN Cc1ccc2nc(NC(=O)c3ccoc3C3CC3)[nH]c2c1 ZINC000344465650 225067156 /nfs/dbraw/zinc/06/71/56/225067156.db2.gz OTXJQYNBFXCVOV-UHFFFAOYSA-N 0 1 281.315 3.594 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@H](C)c3ccsc3)[nH]c2c1 ZINC000344475458 225069805 /nfs/dbraw/zinc/06/98/05/225069805.db2.gz BZOCPQDZLMMTHI-SNVBAGLBSA-N 0 1 285.372 3.675 20 0 CHADMN Cc1ccncc1CN1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000334767473 225313330 /nfs/dbraw/zinc/31/33/30/225313330.db2.gz AESWRZRFVYOZOV-YPMHNXCESA-N 0 1 272.314 3.553 20 0 CHADMN CC[C@@H](O)CN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000171647692 335073305 /nfs/dbraw/zinc/07/33/05/335073305.db2.gz BKPCAAVCPZAEGH-BXUZGUMPSA-N 0 1 288.218 3.901 20 0 CHADMN c1ccc(-c2nnc(CN3CC[C@H]4CCC[C@H]43)s2)cc1 ZINC000334659226 225261014 /nfs/dbraw/zinc/26/10/14/225261014.db2.gz CYRZSTVAURAYEF-TZMCWYRMSA-N 0 1 285.416 3.580 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCc3c(O)cccc32)nc1C ZINC000334880824 225371408 /nfs/dbraw/zinc/37/14/08/225371408.db2.gz FOTDZCZJQXQRGP-QGZVFWFLSA-N 0 1 282.387 3.571 20 0 CHADMN C[C@H](NCc1cncc(F)c1)c1ccc2ncsc2c1 ZINC000347202416 226082986 /nfs/dbraw/zinc/08/29/86/226082986.db2.gz FDIZTVCCGBAIAE-JTQLQIEISA-N 0 1 287.363 3.681 20 0 CHADMN COc1ccncc1CN(Cc1ccccc1)C(C)(C)C ZINC000347031301 226020721 /nfs/dbraw/zinc/02/07/21/226020721.db2.gz KFJWKKBLHUZUJY-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC(c2c[nH]cn2)CC1 ZINC000335272964 226133739 /nfs/dbraw/zinc/13/37/39/226133739.db2.gz UMKHGVHVQUNJFG-LLVKDONJSA-N 0 1 291.345 3.629 20 0 CHADMN Cc1cccc(CN2CCC[C@H]2c2ccc(F)cc2)n1 ZINC000347383454 226142824 /nfs/dbraw/zinc/14/28/24/226142824.db2.gz LPOFKALDWQYNPL-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CN(C)[C@H](CNc1ncccc1Cl)c1ccsc1 ZINC000347443905 226158193 /nfs/dbraw/zinc/15/81/93/226158193.db2.gz ZSZSGCFMBYVQSH-GFCCVEGCSA-N 0 1 281.812 3.511 20 0 CHADMN Cc1ccncc1CCCN1CCc2cccc(F)c2C1 ZINC000347862807 226386655 /nfs/dbraw/zinc/38/66/55/226386655.db2.gz WGVHMGRGYQKQJM-UHFFFAOYSA-N 0 1 284.378 3.520 20 0 CHADMN CCc1cccc(OCCN(C)Cc2scnc2C)c1 ZINC000171750259 335077449 /nfs/dbraw/zinc/07/74/49/335077449.db2.gz SMFZHJIVGBMOGL-UHFFFAOYSA-N 0 1 290.432 3.525 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccco1)c1ccc2n[nH]cc2c1 ZINC000353996341 226856623 /nfs/dbraw/zinc/85/66/23/226856623.db2.gz OLQJKDNOZUYVHY-MNOVXSKESA-N 0 1 255.321 3.568 20 0 CHADMN Cc1cc(C[N@@H+](C)Cc2ccccn2)c2ccccc2n1 ZINC000350386053 227008985 /nfs/dbraw/zinc/00/89/85/227008985.db2.gz BBUJHWIOJZDTIA-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Cc1cc(CN(C)Cc2ccccn2)c2ccccc2n1 ZINC000350386053 227008987 /nfs/dbraw/zinc/00/89/87/227008987.db2.gz BBUJHWIOJZDTIA-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Cc1cnc([C@@H](C)N2CC[C@](C)(c3ccccc3)C2)o1 ZINC000336484753 227056585 /nfs/dbraw/zinc/05/65/85/227056585.db2.gz CCJCLOOPTFSXDT-PBHICJAKSA-N 0 1 270.376 3.708 20 0 CHADMN C[C@H](Sc1ccccc1)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000352626852 227119960 /nfs/dbraw/zinc/11/99/60/227119960.db2.gz QQFZKRGFJGRQLZ-NSHDSACASA-N 0 1 297.383 3.682 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1cc(Cl)ccc1F ZINC000352626838 227119458 /nfs/dbraw/zinc/11/94/58/227119458.db2.gz QOAWBPAPBMIZBP-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN C[C@H](NCc1ccc2occc2c1)C(=O)Nc1ccccc1 ZINC000352748475 227204059 /nfs/dbraw/zinc/20/40/59/227204059.db2.gz JCAAIJNSNFFDIR-ZDUSSCGKSA-N 0 1 294.354 3.550 20 0 CHADMN C[C@@H]1CC[C@@H](c2ccccc2)N(Cc2n[nH]c(C3CC3)n2)C1 ZINC000352808824 227246542 /nfs/dbraw/zinc/24/65/42/227246542.db2.gz ZQMVGQRJDVUGRX-CJNGLKHVSA-N 0 1 296.418 3.655 20 0 CHADMN Cc1noc([C@@H](C)N[C@H]2CCCCC23CCCC3)n1 ZINC000329164499 227335550 /nfs/dbraw/zinc/33/55/50/227335550.db2.gz GZMUXGDRSFZYSO-YPMHNXCESA-N 0 1 263.385 3.532 20 0 CHADMN Cc1c[nH]nc1CN[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000352863295 227346796 /nfs/dbraw/zinc/34/67/96/227346796.db2.gz UIZJKKOBHQVGDQ-MRXNPFEDSA-N 0 1 283.419 3.912 20 0 CHADMN CO[C@@H]1CCCC[C@H]1Nc1ccnc2cc(F)ccc21 ZINC000301471065 227550362 /nfs/dbraw/zinc/55/03/62/227550362.db2.gz SXLOALCMXFBGTJ-GDBMZVCRSA-N 0 1 274.339 3.743 20 0 CHADMN c1ccc2oc([C@H]3CCCCN3C[C@@H]3CCCO3)nc2c1 ZINC000335917330 228018027 /nfs/dbraw/zinc/01/80/27/228018027.db2.gz YICHJDWSQIPPKM-DZGCQCFKSA-N 0 1 286.375 3.534 20 0 CHADMN Clc1ccc(CN2CCC(OC3CCC3)CC2)s1 ZINC000418090088 228026252 /nfs/dbraw/zinc/02/62/52/228026252.db2.gz KGLCJHXPLYUMIT-UHFFFAOYSA-N 0 1 285.840 3.935 20 0 CHADMN Cn1c2ccccc2nc1CN1CCC2(CCCC2)CC1 ZINC000353423597 228100232 /nfs/dbraw/zinc/10/02/32/228100232.db2.gz QJFZCPVSRJLZTK-UHFFFAOYSA-N 0 1 283.419 3.730 20 0 CHADMN C[C@H]1CSCCN1Cc1cccc(OC(F)(F)F)c1 ZINC000353484530 228109641 /nfs/dbraw/zinc/10/96/41/228109641.db2.gz WUUOLJVCSPQWIF-JTQLQIEISA-N 0 1 291.338 3.523 20 0 CHADMN Clc1cccc2c1CCN(Cc1cccc3c[nH]nc31)C2 ZINC000353511475 228112670 /nfs/dbraw/zinc/11/26/70/228112670.db2.gz BLJFFOSIRLAEFI-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN CO[C@@H](CNCc1csc(C(C)(C)C)n1)CC(C)C ZINC000418105559 228054130 /nfs/dbraw/zinc/05/41/30/228054130.db2.gz WGRWNVSREZVRHX-CYBMUJFWSA-N 0 1 284.469 3.591 20 0 CHADMN Cc1noc([C@@H](C)NC2CCC3(CCCCC3)CC2)n1 ZINC000330165876 228054229 /nfs/dbraw/zinc/05/42/29/228054229.db2.gz XJQISESCDWOSDK-GFCCVEGCSA-N 0 1 277.412 3.922 20 0 CHADMN c1nc2c(n1-c1ccccc1)CCN(C[C@@H]1CC=CCC1)C2 ZINC000353176949 228066467 /nfs/dbraw/zinc/06/64/67/228066467.db2.gz WZQZEJVXWCXCFN-MRXNPFEDSA-N 0 1 293.414 3.587 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCCC3(CCC3)C2)c1Cl ZINC000353264996 228076178 /nfs/dbraw/zinc/07/61/78/228076178.db2.gz XOUGYRAZIPXMTG-UHFFFAOYSA-N 0 1 265.784 3.812 20 0 CHADMN Cc1ccc(F)c(CN(CCCO)Cc2ccccc2)c1 ZINC000353330036 228086638 /nfs/dbraw/zinc/08/66/38/228086638.db2.gz JPXCMTDSZSNXNT-UHFFFAOYSA-N 0 1 287.378 3.519 20 0 CHADMN CCn1cc([C@@H](C)N[C@H]2CCc3sc(Cl)cc32)cn1 ZINC000353570786 228123341 /nfs/dbraw/zinc/12/33/41/228123341.db2.gz GAGMCQXRMUTKNT-SKDRFNHKSA-N 0 1 295.839 3.956 20 0 CHADMN Cc1nc2ccccn2c1CN1CCCC[C@H]1c1ccco1 ZINC000353573295 228124101 /nfs/dbraw/zinc/12/41/01/228124101.db2.gz KOFASCGAZAEKDD-HNNXBMFYSA-N 0 1 295.386 3.963 20 0 CHADMN c1cc2ccc(CN[C@@H]3CCSc4ccccc43)nc2[nH]1 ZINC000353617189 228132128 /nfs/dbraw/zinc/13/21/28/228132128.db2.gz CLDBAVMZQOEDKX-OAHLLOKOSA-N 0 1 295.411 3.890 20 0 CHADMN Oc1cc(CN2CCC3(CCC3)C2)cc(C(F)(F)F)c1 ZINC000356127520 228132809 /nfs/dbraw/zinc/13/28/09/228132809.db2.gz OMPMJBXONIGCRW-UHFFFAOYSA-N 0 1 285.309 3.787 20 0 CHADMN Cc1ccc([C@@H]2CSCCN2Cc2cnccc2C)cc1 ZINC000353624119 228133677 /nfs/dbraw/zinc/13/36/77/228133677.db2.gz MQFUCEHIQITSQR-SFHVURJKSA-N 0 1 298.455 3.989 20 0 CHADMN c1nc(C2CCCC2)sc1CN1CCC12CCC2 ZINC000353667296 228142221 /nfs/dbraw/zinc/14/22/21/228142221.db2.gz CEIVNSIYGAGBET-UHFFFAOYSA-N 0 1 262.422 3.929 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(C)c(C)c2)n1 ZINC000353749820 228150047 /nfs/dbraw/zinc/15/00/47/228150047.db2.gz HDAQAVIVVXMCRU-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN Cc1cccc(CN(C)Cc2cc3cc(F)ccc3o2)n1 ZINC000353749042 228150089 /nfs/dbraw/zinc/15/00/89/228150089.db2.gz RSYOZGIKQINMCM-UHFFFAOYSA-N 0 1 284.334 3.907 20 0 CHADMN C[C@H]1C[C@@H]1CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000353804678 228154528 /nfs/dbraw/zinc/15/45/28/228154528.db2.gz FBMBIHKKKLSUMI-CMPLNLGQSA-N 0 1 283.375 3.815 20 0 CHADMN C[C@H]1N(Cc2cccc(-c3cccnc3)c2)CCOC1(C)C ZINC000353878539 228161776 /nfs/dbraw/zinc/16/17/76/228161776.db2.gz FAXPVMZWSSKUAE-OAHLLOKOSA-N 0 1 296.414 3.748 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](c2nccn2C)C2CC2)s1 ZINC000353882225 228161955 /nfs/dbraw/zinc/16/19/55/228161955.db2.gz RCTXRBQWDFDBCR-BXUZGUMPSA-N 0 1 275.421 3.592 20 0 CHADMN Cc1ccccc1-c1nc(CNC2CCC(C)CC2)no1 ZINC000332672535 228164921 /nfs/dbraw/zinc/16/49/21/228164921.db2.gz PVSHPGYZXRNORG-UHFFFAOYSA-N 0 1 285.391 3.713 20 0 CHADMN Cc1ncccc1CN[C@H]1CCCOc2ccc(F)cc21 ZINC000335938328 228167324 /nfs/dbraw/zinc/16/73/24/228167324.db2.gz LAYDTRVVRPZYHN-INIZCTEOSA-N 0 1 286.350 3.533 20 0 CHADMN C[C@H](N[C@@H]1CCCOc2ccc(F)cc21)c1cccnc1 ZINC000335946933 228168928 /nfs/dbraw/zinc/16/89/28/228168928.db2.gz OSAIKASZOXVGAP-BLLLJJGKSA-N 0 1 286.350 3.785 20 0 CHADMN C[C@H](c1cnccn1)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000336131988 228193692 /nfs/dbraw/zinc/19/36/92/228193692.db2.gz UBSHHNOJCWYYAF-TZMCWYRMSA-N 0 1 287.794 3.681 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnn(C)c1C)c1ccccc1OC ZINC000037321741 260089079 /nfs/dbraw/zinc/08/90/79/260089079.db2.gz DFDQROSUZONWDO-LRDDRELGSA-N 0 1 287.407 3.539 20 0 CHADMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1nccn1C(C)C)C1CC1 ZINC000171929020 335085157 /nfs/dbraw/zinc/08/51/57/335085157.db2.gz PINUMRZWSUZCOI-ZIAGYGMSSA-N 0 1 263.429 3.863 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1nccn1C(C)C)C1CC1 ZINC000171929020 335085159 /nfs/dbraw/zinc/08/51/59/335085159.db2.gz PINUMRZWSUZCOI-ZIAGYGMSSA-N 0 1 263.429 3.863 20 0 CHADMN COc1cccc([C@@H](C)N(C)Cc2cnc(C)s2)c1 ZINC000194983593 260012509 /nfs/dbraw/zinc/01/25/09/260012509.db2.gz BVTIXBBVIXCOIX-LLVKDONJSA-N 0 1 276.405 3.653 20 0 CHADMN Cc1c([C@@H](C)N[C@@H](C)c2ccc(F)c(Cl)c2)cnn1C ZINC000037167403 260072353 /nfs/dbraw/zinc/07/23/53/260072353.db2.gz WOFZYYPPQDJFSG-VHSXEESVSA-N 0 1 295.789 3.933 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](C)NCc1ccncc1 ZINC000037232049 260076286 /nfs/dbraw/zinc/07/62/86/260076286.db2.gz YPHFATOCKYSHLH-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN C[C@H](c1ccco1)N(C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000180051561 260090940 /nfs/dbraw/zinc/09/09/40/260090940.db2.gz NSJAIXWKYIXWEZ-CYBMUJFWSA-N 0 1 281.359 3.863 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1nccn1CC(C)C)[C@H](C)C2 ZINC000180628661 260107929 /nfs/dbraw/zinc/10/79/29/260107929.db2.gz QAHORBNTLAVKBG-BEFAXECRSA-N 0 1 297.446 3.871 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(F)cc2F)cc1F ZINC000037496152 260113176 /nfs/dbraw/zinc/11/31/76/260113176.db2.gz CGMNGQPORZOGCE-JTQLQIEISA-N 0 1 295.304 3.963 20 0 CHADMN CC[C@H](NCc1cnc(C)s1)c1ccccc1OC ZINC000037505592 260113514 /nfs/dbraw/zinc/11/35/14/260113514.db2.gz IEWJBTWCAJECJG-AWEZNQCLSA-N 0 1 276.405 3.701 20 0 CHADMN COCc1ccccc1CN[C@@H](C)c1cc(F)ccc1F ZINC000037762637 260117084 /nfs/dbraw/zinc/11/70/84/260117084.db2.gz LDHKIDFHZXSQHA-LBPRGKRZSA-N 0 1 291.341 3.962 20 0 CHADMN Cc1csc(CNCc2cccc3ccccc32)n1 ZINC000037988389 260123182 /nfs/dbraw/zinc/12/31/82/260123182.db2.gz YBOOBFWPGSPSCI-UHFFFAOYSA-N 0 1 268.385 3.895 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cccc(Cl)c2)n1 ZINC000070093354 260152158 /nfs/dbraw/zinc/15/21/58/260152158.db2.gz WEOPJRPNDCFFSB-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN CC(C)(C)[C@H](CO)NCc1csc(Cl)c1Cl ZINC000309312138 260152945 /nfs/dbraw/zinc/15/29/45/260152945.db2.gz CFKQRCCKNIAXKN-QMMMGPOBSA-N 0 1 282.236 3.552 20 0 CHADMN Fc1ccc(CNCc2cccc3[nH]ccc32)c(F)c1 ZINC000070939215 260158604 /nfs/dbraw/zinc/15/86/04/260158604.db2.gz ZZYVKVLFYJYJSV-UHFFFAOYSA-N 0 1 272.298 3.736 20 0 CHADMN Cc1ncsc1CNCc1cccc(OC(C)C)c1 ZINC000071213028 260160347 /nfs/dbraw/zinc/16/03/47/260160347.db2.gz CQSOXVXKUXAHMF-UHFFFAOYSA-N 0 1 276.405 3.529 20 0 CHADMN COCc1ccc(CN[C@H](C)c2cc(F)ccc2F)cc1 ZINC000078514524 260168044 /nfs/dbraw/zinc/16/80/44/260168044.db2.gz ZLBPHLHWWDCOIZ-GFCCVEGCSA-N 0 1 291.341 3.962 20 0 CHADMN CO[C@@H](CNCc1cc(Cl)sc1Cl)C1CC1 ZINC000312600415 260173152 /nfs/dbraw/zinc/17/31/52/260173152.db2.gz KTIFJRMTJSKFFM-VIFPVBQESA-N 0 1 280.220 3.570 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@@H](C)c2nccs2)C12CCCCC2 ZINC000087301561 260213166 /nfs/dbraw/zinc/21/31/66/260213166.db2.gz HTAMXLBOXYJZQP-MELADBBJSA-N 0 1 294.464 3.922 20 0 CHADMN CC[C@@H](C)N(C)Cc1cc(OC)ccc1Br ZINC000087797885 260227866 /nfs/dbraw/zinc/22/78/66/260227866.db2.gz FTWTWDCQFFZWMQ-SNVBAGLBSA-N 0 1 286.213 3.688 20 0 CHADMN COC(=O)c1ccc([C@@H](C)N(C)Cc2ccccc2C)o1 ZINC000088264028 260229772 /nfs/dbraw/zinc/22/97/72/260229772.db2.gz QKDLQLJPJUMJKC-CYBMUJFWSA-N 0 1 287.359 3.568 20 0 CHADMN Clc1cccc(Cl)c1CN[C@H]1CCSC1 ZINC000222932397 260250190 /nfs/dbraw/zinc/25/01/90/260250190.db2.gz BNFKBUKHDAWTOX-QMMMGPOBSA-N 0 1 262.205 3.589 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccccc21)c1ccc(F)cn1 ZINC000092195341 260268002 /nfs/dbraw/zinc/26/80/02/260268002.db2.gz OZOURVRXLFZICE-MEDUHNTESA-N 0 1 256.324 3.559 20 0 CHADMN CCc1nn(C)cc1CN[C@H](C)c1cc2ccccc2o1 ZINC000092365173 260269425 /nfs/dbraw/zinc/26/94/25/260269425.db2.gz ZPRCAZKZKNSHRH-GFCCVEGCSA-N 0 1 283.375 3.580 20 0 CHADMN COc1ccc(-c2nc(C[N@@H+](C)C3CCC3)cs2)cc1 ZINC000075841641 260291902 /nfs/dbraw/zinc/29/19/02/260291902.db2.gz ICJZYKQWGWKJLP-UHFFFAOYSA-N 0 1 288.416 3.803 20 0 CHADMN COc1ccc(-c2nc(CN(C)C3CCC3)cs2)cc1 ZINC000075841641 260291904 /nfs/dbraw/zinc/29/19/04/260291904.db2.gz ICJZYKQWGWKJLP-UHFFFAOYSA-N 0 1 288.416 3.803 20 0 CHADMN Oc1cccc(CNC2(c3cccc(Cl)c3)CC2)c1 ZINC000077467808 260297456 /nfs/dbraw/zinc/29/74/56/260297456.db2.gz RNWDEPUKOKBTQT-UHFFFAOYSA-N 0 1 273.763 3.825 20 0 CHADMN CC(C)(C)c1cnc(CN[C@@H]2CC23CCCC3)s1 ZINC000517847222 260311518 /nfs/dbraw/zinc/31/15/18/260311518.db2.gz XRWCDVGRKBBNAC-LLVKDONJSA-N 0 1 264.438 3.863 20 0 CHADMN F[C@@]1(c2ccccc2)CCN(Cc2cc3cccnc3o2)C1 ZINC000521187814 260365216 /nfs/dbraw/zinc/36/52/16/260365216.db2.gz WVHOKRRANVOXKH-SFHVURJKSA-N 0 1 296.345 3.899 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNCc2ccc3[nH]cnc3c2)o1 ZINC000518272948 260365720 /nfs/dbraw/zinc/36/57/20/260365720.db2.gz XUBJNWYXWPVJOD-FZMZJTMJSA-N 0 1 281.359 3.569 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNCc2ccc3nc[nH]c3c2)o1 ZINC000518272948 260365723 /nfs/dbraw/zinc/36/57/23/260365723.db2.gz XUBJNWYXWPVJOD-FZMZJTMJSA-N 0 1 281.359 3.569 20 0 CHADMN C[C@H](N[C@H]1CCc2cc(F)ccc21)c1ccccn1 ZINC000128171733 260372929 /nfs/dbraw/zinc/37/29/29/260372929.db2.gz SLWQZLHOGFZJIP-ZBEGNZNMSA-N 0 1 256.324 3.559 20 0 CHADMN Cc1cc2nc(-c3ccccn3)[nH]c2cc1Br ZINC000308436780 260383446 /nfs/dbraw/zinc/38/34/46/260383446.db2.gz QOKIYCTUZVYRAJ-UHFFFAOYSA-N 0 1 288.148 3.696 20 0 CHADMN C[N@@H+](Cc1ccsc1C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000518387171 260395552 /nfs/dbraw/zinc/39/55/52/260395552.db2.gz YWPVJSAPKOHOIX-CQSZACIVSA-N 0 1 287.384 3.566 20 0 CHADMN O=C([O-])[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1ccsc1 ZINC000426785151 260536113 /nfs/dbraw/zinc/53/61/13/260536113.db2.gz VYOYWQMCUPHQBS-INIZCTEOSA-N 0 1 297.379 3.817 20 0 CHADMN Cc1cnc([C@@H](C)N[C@@H](C)c2ccc(OC(C)C)cc2)cn1 ZINC000427835152 260853631 /nfs/dbraw/zinc/85/36/31/260853631.db2.gz LKYIHBSOPPBEDP-LSDHHAIUSA-N 0 1 299.418 3.984 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCC([C@@H]2CCOC2)CC1 ZINC000368271366 260939142 /nfs/dbraw/zinc/93/91/42/260939142.db2.gz HPPXPQFQRHBMNU-IUODEOHRSA-N 0 1 295.373 3.774 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@H](C)c1ccccn1)CCC2 ZINC000152394683 261063974 /nfs/dbraw/zinc/06/39/74/261063974.db2.gz MLCZLRZDTCNACK-MFKMUULPSA-N 0 1 273.405 3.575 20 0 CHADMN CC[C@](C)(NCc1ccccc1C)c1nccs1 ZINC000152666830 261067555 /nfs/dbraw/zinc/06/75/55/261067555.db2.gz PGFNLKBSCLFJEK-HNNXBMFYSA-N 0 1 260.406 3.867 20 0 CHADMN FC(F)n1c2ccccc2nc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000152762716 261069223 /nfs/dbraw/zinc/06/92/23/261069223.db2.gz OVWCQMVZRHSVFQ-VXGBXAGGSA-N 0 1 291.345 3.663 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2cncc(F)c2)cc1F ZINC000152801863 261069547 /nfs/dbraw/zinc/06/95/47/261069547.db2.gz DDEXPUQOCARADU-NSHDSACASA-N 0 1 292.329 3.609 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2cncs2)cc1F ZINC000152778442 261069627 /nfs/dbraw/zinc/06/96/27/261069627.db2.gz QYPBBXZULSRNNI-JTQLQIEISA-N 0 1 280.368 3.532 20 0 CHADMN Cc1noc(C)c1CN[C@H]1C[C@@H](C)c2c1cccc2C ZINC000153196766 261074977 /nfs/dbraw/zinc/07/49/77/261074977.db2.gz GEUHWUHMTSSZJW-BZNIZROVSA-N 0 1 270.376 3.938 20 0 CHADMN Cc1cnc(CN2CC[C@H](C)C3(CCCCC3)C2)o1 ZINC000360609929 261082840 /nfs/dbraw/zinc/08/28/40/261082840.db2.gz HCAFXYRGHOHSNF-ZDUSSCGKSA-N 0 1 262.397 3.775 20 0 CHADMN C[C@H](C1CC1)N(Cc1nnc(-c2ccccc2)s1)C1CC1 ZINC000155113195 261098327 /nfs/dbraw/zinc/09/83/27/261098327.db2.gz IRTBFAHTCZLUMU-GFCCVEGCSA-N 0 1 299.443 3.968 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1ncc(C(C)(C)C)s1 ZINC000448337642 261118094 /nfs/dbraw/zinc/11/80/94/261118094.db2.gz RRUCVZLNPKRPLU-GHMZBOCLSA-N 0 1 252.427 3.813 20 0 CHADMN CC(C)(C)c1cnc(CN2CC[C@H](C3CC3)C2)s1 ZINC000448345224 261122378 /nfs/dbraw/zinc/12/23/78/261122378.db2.gz QVPFGCGISNCXGD-LBPRGKRZSA-N 0 1 264.438 3.673 20 0 CHADMN COC[C@H](N[C@H](C)CSC(C)(C)C)c1ccc(C)o1 ZINC000156443314 261122661 /nfs/dbraw/zinc/12/26/61/261122661.db2.gz BUMBSDHHPIFYEP-YPMHNXCESA-N 0 1 285.453 3.785 20 0 CHADMN COC[C@@H](N[C@H](C)CSC(C)(C)C)c1ccc(C)o1 ZINC000156443195 261122855 /nfs/dbraw/zinc/12/28/55/261122855.db2.gz BUMBSDHHPIFYEP-DGCLKSJQSA-N 0 1 285.453 3.785 20 0 CHADMN CC(C)(C)[C@@H]1CN(Cc2coc3ccccc23)CCO1 ZINC000448354382 261125658 /nfs/dbraw/zinc/12/56/58/261125658.db2.gz KEGHRVHFKNMKLK-INIZCTEOSA-N 0 1 273.376 3.680 20 0 CHADMN C[C@@H](NCCOCc1ccccc1)c1cccnc1Cl ZINC000156930464 261135478 /nfs/dbraw/zinc/13/54/78/261135478.db2.gz TVBKSSPULFTTIF-CYBMUJFWSA-N 0 1 290.794 3.602 20 0 CHADMN O=C(c1cc(Cl)ccc1O)N1CC2(CC2)c2ccccc21 ZINC000172432829 261153559 /nfs/dbraw/zinc/15/35/59/261153559.db2.gz BRAYRGLVYKZJOL-UHFFFAOYSA-N 0 1 299.757 3.738 20 0 CHADMN CC(=O)Nc1ccccc1CN(C)[C@H](C)c1cccs1 ZINC000157857566 261153989 /nfs/dbraw/zinc/15/39/89/261153989.db2.gz ZRDPCWSEAJMRAY-GFCCVEGCSA-N 0 1 288.416 3.900 20 0 CHADMN Cc1ccc2ncc(CN(C)[C@@H](C)c3cccs3)n2c1 ZINC000157872046 261154742 /nfs/dbraw/zinc/15/47/42/261154742.db2.gz ATVOJKLPMFGUPU-ZDUSSCGKSA-N 0 1 285.416 3.897 20 0 CHADMN Cc1cc([C@@H](NCc2ccco2)C2CC2)ccc1F ZINC000158712387 261169288 /nfs/dbraw/zinc/16/92/88/261169288.db2.gz WVKJLPOPHDABTN-INIZCTEOSA-N 0 1 259.324 3.968 20 0 CHADMN Clc1cccc([C@H]2CCCCN2CCn2cccn2)c1 ZINC000444806898 261182706 /nfs/dbraw/zinc/18/27/06/261182706.db2.gz VMKGRMFHAQXCTG-MRXNPFEDSA-N 0 1 289.810 3.764 20 0 CHADMN CCS[C@@H]1CC[C@@H](N(C)Cc2ccn(C(C)C)n2)C1 ZINC000174343441 261183764 /nfs/dbraw/zinc/18/37/64/261183764.db2.gz FEFCMDRBCSVELU-HUUCEWRRSA-N 0 1 281.469 3.570 20 0 CHADMN C[C@@H]1CCCN1C(=O)c1cc(Cl)c2ccccc2c1O ZINC000175260412 261216049 /nfs/dbraw/zinc/21/60/49/261216049.db2.gz LDUAMKDDLUCYCS-SNVBAGLBSA-N 0 1 289.762 3.823 20 0 CHADMN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2cncc(C(F)(F)F)c2)C1 ZINC000361382954 261231140 /nfs/dbraw/zinc/23/11/40/261231140.db2.gz YNQWOMSZYTZCTC-GRYCIOLGSA-N 0 1 286.341 3.967 20 0 CHADMN Cn1ccnc1CN(Cc1ccccc1)C1CCCCC1 ZINC000102514613 261246120 /nfs/dbraw/zinc/24/61/20/261246120.db2.gz XYRGXABGNKREOO-UHFFFAOYSA-N 0 1 283.419 3.755 20 0 CHADMN CCCOc1ccc(CN[C@H](C)c2cnn(CC)c2)cc1 ZINC000161665565 261255802 /nfs/dbraw/zinc/25/58/02/261255802.db2.gz ZKFMZRZSHDQALX-CQSZACIVSA-N 0 1 287.407 3.543 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@H](C)c2ncc(C)o2)C12CCCCC2 ZINC000300713523 261257224 /nfs/dbraw/zinc/25/72/24/261257224.db2.gz YLVOBGLQMJKZTH-QLFBSQMISA-N 0 1 292.423 3.762 20 0 CHADMN CC(C)(C)OC1CCN(Cc2cccc(F)c2)CC1 ZINC000162364054 261278361 /nfs/dbraw/zinc/27/83/61/261278361.db2.gz PMDRVVCZRUQWFK-UHFFFAOYSA-N 0 1 265.372 3.605 20 0 CHADMN CCc1noc(C)c1CN[C@@H](C)c1ccc(CC)cc1 ZINC000162386421 261279383 /nfs/dbraw/zinc/27/93/83/261279383.db2.gz XPBNJIZCWCORGI-LBPRGKRZSA-N 0 1 272.392 3.959 20 0 CHADMN CCS[C@@H]1CC[C@@H](N(C)Cc2nc(C)c(C)s2)C1 ZINC000176386581 261281391 /nfs/dbraw/zinc/28/13/91/261281391.db2.gz KFMMWWNRNGJGBV-CHWSQXEVSA-N 0 1 284.494 3.866 20 0 CHADMN c1csc([C@@H]2CCCN2Cc2cncs2)c1 ZINC000162686721 261291519 /nfs/dbraw/zinc/29/15/19/261291519.db2.gz YUDSPFHNOORKBL-NSHDSACASA-N 0 1 250.392 3.542 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1nc(C)c(C)o1)C1CC1 ZINC000104966904 261304120 /nfs/dbraw/zinc/30/41/20/261304120.db2.gz WLRHXLPLAHMHHH-JQWIXIFHSA-N 0 1 250.386 3.690 20 0 CHADMN Cc1cc(-c2csc([C@H](C)N)n2)c(Cl)cc1F ZINC000335698233 261321905 /nfs/dbraw/zinc/32/19/05/261321905.db2.gz NCYSAFHCOHICRE-ZETCQYMHSA-N 0 1 270.760 3.931 20 0 CHADMN COc1ccc(F)cc1CN[C@H](C)c1ccc(F)cc1 ZINC000176973683 261323324 /nfs/dbraw/zinc/32/33/24/261323324.db2.gz NXXSHWDHPHQZND-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN CCCOCc1ccccc1CN[C@@H](C)c1cncs1 ZINC000163652611 261324621 /nfs/dbraw/zinc/32/46/21/261324621.db2.gz PYIHYDJOKJLXLZ-ZDUSSCGKSA-N 0 1 290.432 3.921 20 0 CHADMN COc1ccccc1CNCc1ccc2c(c1)CC(C)(C)O2 ZINC000103339999 261327658 /nfs/dbraw/zinc/32/76/58/261327658.db2.gz UADOSBKWWXLCFV-UHFFFAOYSA-N 0 1 297.398 3.699 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN(C)[C@@H](C)C1(C)CC1 ZINC000177241086 261342078 /nfs/dbraw/zinc/34/20/78/261342078.db2.gz YLFRTSVALXNYFS-AWEZNQCLSA-N 0 1 289.419 3.908 20 0 CHADMN C[C@H](NCc1ccc(Cl)nc1)c1ccsc1 ZINC000166642110 261391954 /nfs/dbraw/zinc/39/19/54/261391954.db2.gz XCFKSCGBPHFXQP-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN CCc1noc(CC)c1CN[C@H]1CCc2ccccc21 ZINC000166945347 261395929 /nfs/dbraw/zinc/39/59/29/261395929.db2.gz OMFIMCDCODAHAK-INIZCTEOSA-N 0 1 270.376 3.577 20 0 CHADMN CCc1noc(CC)c1CN[C@H]1CCc2cc(F)ccc21 ZINC000166926262 261396079 /nfs/dbraw/zinc/39/60/79/261396079.db2.gz YWSQKNAUECHTEY-INIZCTEOSA-N 0 1 288.366 3.716 20 0 CHADMN CCc1noc(CC)c1CN[C@H](C)c1ccc(C)cc1 ZINC000166999508 261396634 /nfs/dbraw/zinc/39/66/34/261396634.db2.gz DWLXWEMHUAWFMY-CYBMUJFWSA-N 0 1 272.392 3.959 20 0 CHADMN Brc1cncc(CN2CCC[C@@H]2C2CCC2)c1 ZINC000170872403 261444863 /nfs/dbraw/zinc/44/48/63/261444863.db2.gz RDSDRDAJYFPNHQ-CQSZACIVSA-N 0 1 295.224 3.609 20 0 CHADMN Cc1ccc2nc(CNC3(c4ccccc4)CCC3)cn2c1 ZINC000176858963 261673163 /nfs/dbraw/zinc/67/31/63/261673163.db2.gz WEALQIGSWUSDPC-UHFFFAOYSA-N 0 1 291.398 3.812 20 0 CHADMN Cc1cccc2nc(CN[C@@H]3CCCc4ccccc43)cn21 ZINC000178061176 261724731 /nfs/dbraw/zinc/72/47/31/261724731.db2.gz FJPLRASWPSDUDI-GOSISDBHSA-N 0 1 291.398 3.810 20 0 CHADMN C[C@H](NCCOc1cccc(F)c1)c1cccnc1Cl ZINC000178473433 261744479 /nfs/dbraw/zinc/74/44/79/261744479.db2.gz QCYGPLBZMHRZRA-NSHDSACASA-N 0 1 294.757 3.604 20 0 CHADMN C[C@@H](CN(C)Cc1cc(F)ccc1F)c1nccs1 ZINC000183981023 262003880 /nfs/dbraw/zinc/00/38/80/262003880.db2.gz GSAKHSTYPQHQOL-JTQLQIEISA-N 0 1 282.359 3.657 20 0 CHADMN Cc1cncc([C@H](C)N[C@H]2CCCc3occc32)c1 ZINC000184275775 262015145 /nfs/dbraw/zinc/01/51/45/262015145.db2.gz RFLWTNQLAFKZAQ-WFASDCNBSA-N 0 1 256.349 3.711 20 0 CHADMN COc1ccc(Cl)cc1CN[C@@H](C)c1cncc(C)c1 ZINC000184325218 262016516 /nfs/dbraw/zinc/01/65/16/262016516.db2.gz DJEUKSJMLLRNBN-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN OCC[C@@H](NCc1csc2ccccc12)c1ccco1 ZINC000184518953 262022328 /nfs/dbraw/zinc/02/23/28/262022328.db2.gz HGCKXRUKKWXPNJ-CQSZACIVSA-N 0 1 287.384 3.708 20 0 CHADMN Cc1cc(C)cc(C2=CCN([C@@H](C)c3cnccn3)CC2)c1 ZINC000184709187 262027281 /nfs/dbraw/zinc/02/72/81/262027281.db2.gz OTPKSXIAUSFADR-INIZCTEOSA-N 0 1 293.414 3.944 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H](C)c3ccccc3)ccc12 ZINC000183875573 262043121 /nfs/dbraw/zinc/04/31/21/262043121.db2.gz ONBVWSBGJBUPNQ-LLVKDONJSA-N 0 1 279.343 3.614 20 0 CHADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000518783075 262055356 /nfs/dbraw/zinc/05/53/56/262055356.db2.gz YENVLSMTYCAFIO-GJZGRUSLSA-N 0 1 287.384 3.711 20 0 CHADMN CCSc1cccc(CN[C@@H](C)c2cnn(C)c2C)c1 ZINC000185464707 262055824 /nfs/dbraw/zinc/05/58/24/262055824.db2.gz WCZVJJWASGGPDU-LBPRGKRZSA-N 0 1 289.448 3.691 20 0 CHADMN CCSc1cccc(CN[C@@H](C)c2cn(C)nc2C)c1 ZINC000185516654 262058063 /nfs/dbraw/zinc/05/80/63/262058063.db2.gz BVEILISQJRHXOR-LBPRGKRZSA-N 0 1 289.448 3.691 20 0 CHADMN Cc1cccc([C@@H](C)N2CCC(C(=O)C(F)(F)F)CC2)c1 ZINC000186027874 262076027 /nfs/dbraw/zinc/07/60/27/262076027.db2.gz BFZPVRCQNVEUPV-GFCCVEGCSA-N 0 1 299.336 3.899 20 0 CHADMN CCC[C@H](CC)NCc1ncc(-c2ccccc2)cn1 ZINC000186051516 262077025 /nfs/dbraw/zinc/07/70/25/262077025.db2.gz WOSZBMXXQVNSBP-INIZCTEOSA-N 0 1 269.392 3.812 20 0 CHADMN COc1ccsc1[C@@H](C)NCc1cccc(F)c1 ZINC000186096990 262079162 /nfs/dbraw/zinc/07/91/62/262079162.db2.gz MOPQHDHOQIHABM-SNVBAGLBSA-N 0 1 265.353 3.747 20 0 CHADMN COc1ccsc1[C@H](C)NCc1cc(C)cc(OC)c1 ZINC000186227035 262085120 /nfs/dbraw/zinc/08/51/20/262085120.db2.gz XUALMMKNTOZAJZ-LBPRGKRZSA-N 0 1 291.416 3.925 20 0 CHADMN CSc1ccc([C@H](C)N[C@H](CCO)c2ccco2)cc1 ZINC000186554843 262098726 /nfs/dbraw/zinc/09/87/26/262098726.db2.gz GYDSRQNGFIBALS-SWLSCSKDSA-N 0 1 291.416 3.776 20 0 CHADMN CSc1ccc([C@H](C)N[C@@H](CCO)c2ccco2)cc1 ZINC000186554803 262099046 /nfs/dbraw/zinc/09/90/46/262099046.db2.gz GYDSRQNGFIBALS-WFASDCNBSA-N 0 1 291.416 3.776 20 0 CHADMN COCCCCSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000187154515 262126755 /nfs/dbraw/zinc/12/67/55/262126755.db2.gz WVAUBKRXMZRZOZ-UHFFFAOYSA-N 0 1 276.405 3.904 20 0 CHADMN CC[C@H]1C[C@]1(NCc1ccnn1CC)c1cccc(C)c1 ZINC000500501438 262154827 /nfs/dbraw/zinc/15/48/27/262154827.db2.gz UQXHUGAVSYHKGF-MAUKXSAKSA-N 0 1 283.419 3.626 20 0 CHADMN Cc1ncccc1CN[C@H](C)c1ccccc1Cl ZINC000310949472 262184704 /nfs/dbraw/zinc/18/47/04/262184704.db2.gz NICJHSLTQFLENQ-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2ccnn2C)c(C)s1 ZINC000192249371 262200535 /nfs/dbraw/zinc/20/05/35/262200535.db2.gz ZAOYJJDQFJLAFZ-QWRGUYRKSA-N 0 1 263.410 3.510 20 0 CHADMN COc1ccc([C@H](C)NCc2ccccc2OC)cc1F ZINC000019903309 262205676 /nfs/dbraw/zinc/20/56/76/262205676.db2.gz UTHUUYABSCRZDY-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN Cc1ccc(CNCc2ccccc2OC(F)F)cc1 ZINC000019962696 262209820 /nfs/dbraw/zinc/20/98/20/262209820.db2.gz NVOZLSFHXOCIHT-UHFFFAOYSA-N 0 1 277.314 3.886 20 0 CHADMN CCCCc1nc(CN2C[C@H](C)C[C@H](C)C2)cs1 ZINC000497967663 262241765 /nfs/dbraw/zinc/24/17/65/262241765.db2.gz OVYHKORVADAQCC-BETUJISGSA-N 0 1 266.454 3.964 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(O)cc(F)c2)cc1F ZINC000184138200 262271342 /nfs/dbraw/zinc/27/13/42/262271342.db2.gz NSXJJKQTZUNTDG-SNVBAGLBSA-N 0 1 293.313 3.530 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@@H](C)C3CC3)n[nH]2)c(C)c1 ZINC000188219329 262285855 /nfs/dbraw/zinc/28/58/55/262285855.db2.gz OASWJKMMNCBZHO-ZDUSSCGKSA-N 0 1 297.402 3.564 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N1CCC[C@H]1c1cccs1 ZINC000029797372 262373570 /nfs/dbraw/zinc/37/35/70/262373570.db2.gz ABXHRRIBOQPUAG-ZDUSSCGKSA-N 0 1 297.383 3.602 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H](C)c1cccc(F)c1 ZINC000187037036 262375638 /nfs/dbraw/zinc/37/56/38/262375638.db2.gz OEDRWOMLXOIJFB-NWDGAFQWSA-N 0 1 274.339 3.641 20 0 CHADMN COc1cccc([C@H](C)N[C@H](C)c2ccncc2OC)c1 ZINC000187101511 262379842 /nfs/dbraw/zinc/37/98/42/262379842.db2.gz WFAJEJCPUXVFCS-QWHCGFSZSA-N 0 1 286.375 3.511 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccccc2Cl)ccn1 ZINC000391168630 262385338 /nfs/dbraw/zinc/38/53/38/262385338.db2.gz XUBYZLVNIZGVJW-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN CC[C@@H](NCc1ccc(COC)o1)c1ccc(OC)cc1 ZINC000125197888 262590232 /nfs/dbraw/zinc/59/02/32/262590232.db2.gz WWHINUAKOQCQBK-QGZVFWFLSA-N 0 1 289.375 3.676 20 0 CHADMN C[C@@H](c1csnn1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411975684 262711315 /nfs/dbraw/zinc/71/13/15/262711315.db2.gz BYHUTEOVZGAATE-DZGCQCFKSA-N 0 1 299.443 3.869 20 0 CHADMN COc1ccc2nc(S[C@@H]3CCOC(C)(C)C3)[nH]c2c1 ZINC000412981295 262750039 /nfs/dbraw/zinc/75/00/39/262750039.db2.gz GIBDWBUPICXTME-LLVKDONJSA-N 0 1 292.404 3.621 20 0 CHADMN Cc1ccc(CN[C@H]2c3cc(F)ccc3C[C@@H]2C)nc1C ZINC000414158934 262818692 /nfs/dbraw/zinc/81/86/92/262818692.db2.gz ATKRJSMYEDCBPN-KPZWWZAWSA-N 0 1 284.378 3.861 20 0 CHADMN CCC1(C)CCC(NCc2nnc(C3CC3)s2)CC1 ZINC000414327946 262844912 /nfs/dbraw/zinc/84/49/12/262844912.db2.gz PKUYWIUNYPNORA-UHFFFAOYSA-N 0 1 279.453 3.864 20 0 CHADMN CC(C)C[C@H](C)C[C@@H](C)NCc1nnc(C2CC2)s1 ZINC000414328857 262844947 /nfs/dbraw/zinc/84/49/47/262844947.db2.gz QICLUJGPDZXUHU-NWDGAFQWSA-N 0 1 281.469 3.966 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2C[C@H]2c2ccco2)o1 ZINC000414599143 263004496 /nfs/dbraw/zinc/00/44/96/263004496.db2.gz ZHJUTMBKPOYDLN-YXCITZCRSA-N 0 1 257.333 3.642 20 0 CHADMN C[C@H](c1ccc(Cl)cc1Cl)N1CC[C@@H]([C@H](C)O)C1 ZINC000272555075 263006678 /nfs/dbraw/zinc/00/66/78/263006678.db2.gz LDDRJRPSQZNCRA-OUAUKWLOSA-N 0 1 288.218 3.757 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1OCc1nc([C@@H](N)CC(C)C)no1 ZINC000414611221 263009421 /nfs/dbraw/zinc/00/94/21/263009421.db2.gz BZZKVFXYLAIJBV-RDBSUJKOSA-N 0 1 295.427 3.601 20 0 CHADMN Cc1cc(-c2nc([C@@H](N)CC(C)C)no2)cc(C)c1F ZINC000414611274 263009513 /nfs/dbraw/zinc/00/95/13/263009513.db2.gz CBSFGLHBUHLENQ-LBPRGKRZSA-N 0 1 277.343 3.538 20 0 CHADMN CCC(CC)[C@@H](C)c1nc([C@H](N)CC(C)C)no1 ZINC000414611575 263009614 /nfs/dbraw/zinc/00/96/14/263009614.db2.gz CJVXABJVBVZBFL-ZYHUDNBSSA-N 0 1 253.390 3.655 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H]2CCCc3sccc32)n1 ZINC000414614909 263010222 /nfs/dbraw/zinc/01/02/22/263010222.db2.gz HRYCCWXAZBLPKJ-VXGBXAGGSA-N 0 1 291.420 3.645 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2ccc(C(F)F)cc2)n1 ZINC000414616375 263010404 /nfs/dbraw/zinc/01/04/04/263010404.db2.gz JZHUZDNBIROBKR-NSHDSACASA-N 0 1 281.306 3.720 20 0 CHADMN Cc1cccc(-c2nc([C@H](N)CC(C)C)no2)c1Cl ZINC000414616905 263010610 /nfs/dbraw/zinc/01/06/10/263010610.db2.gz KWKSPFPMFAFYSQ-LLVKDONJSA-N 0 1 279.771 3.744 20 0 CHADMN Cc1ccc(Cl)cc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000414618352 263011755 /nfs/dbraw/zinc/01/17/55/263011755.db2.gz MJCIDSUOUAOVEI-LBPRGKRZSA-N 0 1 279.771 3.744 20 0 CHADMN CCc1cc(-c2nc([C@@H](N)CC(C)C)no2)oc1CC ZINC000414618618 263011938 /nfs/dbraw/zinc/01/19/38/263011938.db2.gz MVDYJKWDBYNSGQ-NSHDSACASA-N 0 1 277.368 3.500 20 0 CHADMN Cc1cc2occ(-c3nc(C4(N)CCCC4)no3)c2cc1C ZINC000414619863 263012381 /nfs/dbraw/zinc/01/23/81/263012381.db2.gz OSFYLXYOEKRHHG-UHFFFAOYSA-N 0 1 297.358 3.828 20 0 CHADMN Cc1ccsc1[C@@H]1C[C@@H]1c1nc([C@@H](N)CC(C)C)no1 ZINC000414619215 263012791 /nfs/dbraw/zinc/01/27/91/263012791.db2.gz NQMHOQJFFUXHBI-WOPDTQHZSA-N 0 1 291.420 3.757 20 0 CHADMN Cc1ccc2sc(-c3nc(C4(N)CCC4)no3)cc2c1 ZINC000414628139 263016770 /nfs/dbraw/zinc/01/67/70/263016770.db2.gz NNIBISNUILQTBA-UHFFFAOYSA-N 0 1 285.372 3.598 20 0 CHADMN Cc1ccc2c(-c3nc(C4(N)CCC4)no3)csc2c1 ZINC000414630006 263017240 /nfs/dbraw/zinc/01/72/40/263017240.db2.gz SCTCORKBUNXWML-UHFFFAOYSA-N 0 1 285.372 3.598 20 0 CHADMN CC(C)(Cc1nc(C2(N)CCC2)no1)C1CCCCC1 ZINC000414636108 263018584 /nfs/dbraw/zinc/01/85/84/263018584.db2.gz ACZYQQKPNVBYBG-UHFFFAOYSA-N 0 1 277.412 3.557 20 0 CHADMN C[C@@H]1CCC(C)(C)N1Cc1cncc(C(F)(F)F)c1 ZINC000452006577 263022718 /nfs/dbraw/zinc/02/27/18/263022718.db2.gz LYTUSNHRDGDPJQ-SNVBAGLBSA-N 0 1 272.314 3.863 20 0 CHADMN CC(C)OCCC[N@@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000438118477 263044609 /nfs/dbraw/zinc/04/46/09/263044609.db2.gz QNQMAAHAZYNUCO-UHFFFAOYSA-N 0 1 278.371 3.554 20 0 CHADMN Fc1cc(F)cc(CN[C@@H](c2cccnc2)C2CC2)c1 ZINC000340103884 263070887 /nfs/dbraw/zinc/07/08/87/263070887.db2.gz GARVMNNCNWKNKS-MRXNPFEDSA-N 0 1 274.314 3.601 20 0 CHADMN CC[C@H](CN[C@@H](C)c1cc(C)on1)Oc1cccc(F)c1 ZINC000284055406 263085628 /nfs/dbraw/zinc/08/56/28/263085628.db2.gz KMLVPESKSRJDEL-GXTWGEPZSA-N 0 1 292.354 3.630 20 0 CHADMN Cc1cc([C@@H](C)NC[C@H](C)Sc2ccccc2)no1 ZINC000290614553 263117766 /nfs/dbraw/zinc/11/77/66/263117766.db2.gz IDMQIRPWJHXKSY-QWHCGFSZSA-N 0 1 276.405 3.814 20 0 CHADMN CCN(Cc1cc(F)ncc1F)[C@@H](C)Cc1ccsc1 ZINC000295386914 263176932 /nfs/dbraw/zinc/17/69/32/263176932.db2.gz KYRRHXZPEGOARW-NSHDSACASA-N 0 1 296.386 3.874 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2N[C@@H]1COCc2ccccc21 ZINC000340516782 263183628 /nfs/dbraw/zinc/18/36/28/263183628.db2.gz AUSOYFKSUALJFV-ZWKOTPCHSA-N 0 1 283.346 3.674 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H]1C[C@@H](C)n3ccnc31)CCC2 ZINC000297330651 263203428 /nfs/dbraw/zinc/20/34/28/263203428.db2.gz NXROGHIZZNZZJM-XOKHGSTOSA-N 0 1 281.403 3.865 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H](C)c1sccc1C ZINC000453343724 263242638 /nfs/dbraw/zinc/24/26/38/263242638.db2.gz IRRHLMHAGRTOBJ-VXGBXAGGSA-N 0 1 263.410 3.685 20 0 CHADMN CCc1ncc(CN[C@@H](c2ccccc2)C(C)C)o1 ZINC000453395839 263262137 /nfs/dbraw/zinc/26/21/37/263262137.db2.gz ULLQCLTVMSOUSZ-MRXNPFEDSA-N 0 1 258.365 3.724 20 0 CHADMN COc1ccc(F)cc1CN[C@H](C)c1ccsc1 ZINC000187593085 263263593 /nfs/dbraw/zinc/26/35/93/263263593.db2.gz SKZVJOSXHLAURR-SNVBAGLBSA-N 0 1 265.353 3.747 20 0 CHADMN Cc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccccc3)C[C@H]2C)n1 ZINC000467552703 263266387 /nfs/dbraw/zinc/26/63/87/263266387.db2.gz GWVFQGIPLMJZJD-WBVHZDCISA-N 0 1 296.414 3.864 20 0 CHADMN CC1(C)CC[C@H](CN[C@@H](c2ccccc2)c2ccccn2)O1 ZINC000187860138 263279139 /nfs/dbraw/zinc/27/91/39/263279139.db2.gz FGBHQKCIDHLSBE-AEFFLSMTSA-N 0 1 296.414 3.718 20 0 CHADMN Cc1nc(CN2CC(C)(C)CC(C)(C)C2)cs1 ZINC000342340637 263423327 /nfs/dbraw/zinc/42/33/27/263423327.db2.gz ROHCNNNKBQSUDN-UHFFFAOYSA-N 0 1 252.427 3.710 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000342377387 263426719 /nfs/dbraw/zinc/42/67/19/263426719.db2.gz ZKLABQOYBIMUKP-ZIAGYGMSSA-N 0 1 287.382 3.774 20 0 CHADMN CC[C@@H](NCc1cc(C)nc(C)n1)c1cccc(Cl)c1 ZINC000342808502 263521601 /nfs/dbraw/zinc/52/16/01/263521601.db2.gz CNUXRCCQQZPUCH-MRXNPFEDSA-N 0 1 289.810 3.988 20 0 CHADMN CO[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000441351976 263794651 /nfs/dbraw/zinc/79/46/51/263794651.db2.gz JWDVHWACCQKJSI-FZMZJTMJSA-N 0 1 287.325 3.705 20 0 CHADMN CS[C@@H]1CC[C@@H]1N[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000425337031 264013058 /nfs/dbraw/zinc/01/30/58/264013058.db2.gz MHTAELRYSBCBDM-JQHSSLGASA-N 0 1 298.455 3.963 20 0 CHADMN C[C@@H](CCO)CNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000125652431 264020820 /nfs/dbraw/zinc/02/08/20/264020820.db2.gz HFNKPTLDZYLMFG-JTQLQIEISA-N 0 1 298.308 3.684 20 0 CHADMN Clc1ccc(CN2CCC[C@]3(CCCOC3)C2)s1 ZINC000353749952 264033268 /nfs/dbraw/zinc/03/32/68/264033268.db2.gz VKRKYFLHBGEVJR-AWEZNQCLSA-N 0 1 285.840 3.794 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H](C)CC2CCCC2)c1 ZINC000330781823 264052345 /nfs/dbraw/zinc/05/23/45/264052345.db2.gz GFWIBKSRALEKNG-NSHDSACASA-N 0 1 289.375 3.750 20 0 CHADMN C[C@H](CN1CC(CC(F)F)C1)c1cc(F)cc(F)c1 ZINC000425363126 264135817 /nfs/dbraw/zinc/13/58/17/264135817.db2.gz AXHGQBVGAWFQKY-SECBINFHSA-N 0 1 275.289 3.655 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C2CCCCC2)c1 ZINC000331243289 264177691 /nfs/dbraw/zinc/17/76/91/264177691.db2.gz RNSULIKKYSKHEF-UHFFFAOYSA-N 0 1 275.348 3.504 20 0 CHADMN FC(F)CC1CN(Cc2ccc(Cl)c3cccnc23)C1 ZINC000425365772 264210922 /nfs/dbraw/zinc/21/09/22/264210922.db2.gz MOYKMOQNBRXWFK-UHFFFAOYSA-N 0 1 296.748 3.975 20 0 CHADMN CCCOc1ccc(CN2CC(CC(F)F)C2)cc1OC ZINC000425366306 264211925 /nfs/dbraw/zinc/21/19/25/264211925.db2.gz PFHGSNHNQNQZPE-UHFFFAOYSA-N 0 1 299.361 3.571 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@@H]1COCc3ccccc31)CC2 ZINC000417404064 264216666 /nfs/dbraw/zinc/21/66/66/264216666.db2.gz OQDNQBCXZJGOSM-RBUKOAKNSA-N 0 1 295.382 3.544 20 0 CHADMN CCOc1c(Cl)cccc1CN1CCSC[C@H](C)C1 ZINC000425959356 264227375 /nfs/dbraw/zinc/22/73/75/264227375.db2.gz JWPXWJUVFXBQAK-GFCCVEGCSA-N 0 1 299.867 3.924 20 0 CHADMN CC(C)(C)[C@H]1CCC[C@H](NCc2csnn2)CC1 ZINC000188791299 264250115 /nfs/dbraw/zinc/25/01/15/264250115.db2.gz NEXFQXBOUOWNKO-RYUDHWBXSA-N 0 1 267.442 3.623 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H](C)c1cccs1 ZINC000188790496 264250189 /nfs/dbraw/zinc/25/01/89/264250189.db2.gz ZNZXWGJOVQVXSN-GHMZBOCLSA-N 0 1 262.378 3.564 20 0 CHADMN CC(C)N(Cc1nc(-c2ccccc2F)no1)C1CCC1 ZINC000189114649 264273802 /nfs/dbraw/zinc/27/38/02/264273802.db2.gz LIAXFCFEUDDDHQ-UHFFFAOYSA-N 0 1 289.354 3.639 20 0 CHADMN CC[C@@H](C)NCc1csc(COc2ccc(C)cc2)n1 ZINC000073697008 264297078 /nfs/dbraw/zinc/29/70/78/264297078.db2.gz LMTZRMZYODPKDV-CYBMUJFWSA-N 0 1 290.432 3.919 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CCC[C@H](C)CC1 ZINC000189443865 264297912 /nfs/dbraw/zinc/29/79/12/264297912.db2.gz RXSGJYAUNFHJPB-AAEUAGOBSA-N 0 1 277.412 3.540 20 0 CHADMN Cc1ccc2cc(CNCc3ccc(Cl)cn3)ccc2n1 ZINC000189423770 264298233 /nfs/dbraw/zinc/29/82/33/264298233.db2.gz KXSJAVUEXQRANW-UHFFFAOYSA-N 0 1 297.789 3.881 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1N[C@@H](C)c1nc(C2CC2)no1 ZINC000189489281 264302566 /nfs/dbraw/zinc/30/25/66/264302566.db2.gz PPMHVYMRSYWDKB-WCFLWFBJSA-N 0 1 295.452 3.662 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(Cl)cs1 ZINC000252602073 264305225 /nfs/dbraw/zinc/30/52/25/264305225.db2.gz MVEHDDYMNPYOLI-BIMULSAOSA-N 0 1 299.823 3.619 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1cc(C)cc(C)c1 ZINC000189553087 264306424 /nfs/dbraw/zinc/30/64/24/264306424.db2.gz VQPDRWDGWBKYCV-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN CC[C@@H]1CCCN(C(=O)c2c[nH]c3c(C)cccc3c2=O)C1 ZINC000162102010 264310414 /nfs/dbraw/zinc/31/04/14/264310414.db2.gz FRJOAASZTYQTSF-CYBMUJFWSA-N 0 1 298.386 3.511 20 0 CHADMN Cc1cc(CN(C)[C@H]2CC[C@@](C)(c3ccccc3)C2)no1 ZINC000189702346 264322816 /nfs/dbraw/zinc/32/28/16/264322816.db2.gz WAQKSEPLHJJDGH-ZWKOTPCHSA-N 0 1 284.403 3.925 20 0 CHADMN C[C@@H](NCCOCC(F)F)c1cccc(Cl)c1Cl ZINC000189849395 264334751 /nfs/dbraw/zinc/33/47/51/264334751.db2.gz QOTYFYGJGIJNHB-MRVPVSSYSA-N 0 1 298.160 3.926 20 0 CHADMN Cc1cncc(CN(C)Cc2cccc(OC(C)C)c2)c1 ZINC000189973426 264337775 /nfs/dbraw/zinc/33/77/75/264337775.db2.gz WACAOVASXDYJAO-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN C[C@H](NCC1(C)CC1)c1nc(C(F)(F)F)cs1 ZINC000343849624 265049323 /nfs/dbraw/zinc/04/93/23/265049323.db2.gz PPPIWFUJPRIQRE-ZETCQYMHSA-N 0 1 264.316 3.613 20 0 CHADMN Cc1ccc2ncc(C[N@@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)cc2c1 ZINC000334566861 265051807 /nfs/dbraw/zinc/05/18/07/265051807.db2.gz QWZDIKKBIMWYDC-ZFWWWQNUSA-N 0 1 297.402 3.679 20 0 CHADMN CCc1ccc(CN2CCC[C@@H]2c2ccco2)cn1 ZINC000347778910 265136492 /nfs/dbraw/zinc/13/64/92/265136492.db2.gz JWKXTHMZRCVACN-OAHLLOKOSA-N 0 1 256.349 3.574 20 0 CHADMN CCC1CCN([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000518852160 265183633 /nfs/dbraw/zinc/18/36/33/265183633.db2.gz WDMYEHOFWWXSLM-ZDUSSCGKSA-N 0 1 292.398 3.583 20 0 CHADMN CC1(C)CCCC[C@@H]1NC(=O)c1ccc(O)c(Cl)c1 ZINC000094330229 265235413 /nfs/dbraw/zinc/23/54/13/265235413.db2.gz NMAIMQCNKPYBHG-ZDUSSCGKSA-N 0 1 281.783 3.744 20 0 CHADMN C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)c1c(F)cccc1F ZINC000094423882 265242544 /nfs/dbraw/zinc/24/25/44/265242544.db2.gz GWJYMPUIKDHFCG-MFKMUULPSA-N 0 1 283.362 3.962 20 0 CHADMN Cc1ccc(O)c(CN2CC(C)(C)[C@H]2c2cccs2)n1 ZINC000519033669 265300063 /nfs/dbraw/zinc/30/00/63/265300063.db2.gz XTSJTQBBKDFNFX-OAHLLOKOSA-N 0 1 288.416 3.740 20 0 CHADMN Clc1ccccc1CNCC1=Cc2ccccc2OC1 ZINC000520190612 265674770 /nfs/dbraw/zinc/67/47/70/265674770.db2.gz BKAFUOVSKZWCHU-UHFFFAOYSA-N 0 1 285.774 3.906 20 0 CHADMN c1csc(CN(Cc2ccc3c(n2)CCC3)C2CC2)c1 ZINC000514586207 266005227 /nfs/dbraw/zinc/00/52/27/266005227.db2.gz MMYZEXQWXBFIJF-UHFFFAOYSA-N 0 1 284.428 3.796 20 0 CHADMN CC(C)(C)OC(=O)c1ccc(CNC2(CF)CCC2)cc1 ZINC000514605769 266016966 /nfs/dbraw/zinc/01/69/66/266016966.db2.gz VWQIWXGVJFKPEE-UHFFFAOYSA-N 0 1 293.382 3.624 20 0 CHADMN CC[C@@H](NCc1ccc(C)c(C)n1)c1ccc(OC)cc1 ZINC000314774395 266019543 /nfs/dbraw/zinc/01/95/43/266019543.db2.gz LLTXLADIFWNIPN-GOSISDBHSA-N 0 1 284.403 3.948 20 0 CHADMN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1ccco1 ZINC000353165730 266035231 /nfs/dbraw/zinc/03/52/31/266035231.db2.gz UOVIEOFNOLAIPC-NHYWBVRUSA-N 0 1 279.767 3.799 20 0 CHADMN Cc1ccnc([C@@H](C)NCc2cnc3ccccc3c2)c1 ZINC000353504575 266039551 /nfs/dbraw/zinc/03/95/51/266039551.db2.gz RYNJOTLGKWBKIO-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN CCOc1ccc(CN2CCC(F)(F)[C@H](C)C2)cc1OC ZINC000356267179 266084469 /nfs/dbraw/zinc/08/44/69/266084469.db2.gz XCHQROFVABRBRO-GFCCVEGCSA-N 0 1 299.361 3.571 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)o1 ZINC000356292596 266088496 /nfs/dbraw/zinc/08/84/96/266088496.db2.gz WOKFZMYYYMAJGN-RSUWNVLCSA-N 0 1 286.375 3.587 20 0 CHADMN CO[C@@H]1CCN(Cc2cscc2C(F)(F)F)[C@H](C)C1 ZINC000356299943 266091987 /nfs/dbraw/zinc/09/19/87/266091987.db2.gz IEZRTLQWPVCTIE-MWLCHTKSSA-N 0 1 293.354 3.766 20 0 CHADMN Cc1c[nH]nc1CN1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000356312947 266093889 /nfs/dbraw/zinc/09/38/89/266093889.db2.gz CUGBUIPAJOVFRL-DYVFJYSZSA-N 0 1 269.392 3.691 20 0 CHADMN Cc1c[nH]nc1CN1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000356312948 266094058 /nfs/dbraw/zinc/09/40/58/266094058.db2.gz CUGBUIPAJOVFRL-GUYCJALGSA-N 0 1 269.392 3.691 20 0 CHADMN CO[C@@]1(C)CCCN(Cc2cscc2C(F)(F)F)C1 ZINC000356381696 266104792 /nfs/dbraw/zinc/10/47/92/266104792.db2.gz APDMEZVHWMCTKO-LBPRGKRZSA-N 0 1 293.354 3.768 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1sc(C)nc1C ZINC000356845002 266187437 /nfs/dbraw/zinc/18/74/37/266187437.db2.gz IAPGAPPHBCGZFW-NSHDSACASA-N 0 1 275.421 3.568 20 0 CHADMN Oc1cccc2c1CC[C@@H]2NCc1cnc2ccccc2c1 ZINC000356860727 266196423 /nfs/dbraw/zinc/19/64/23/266196423.db2.gz FZHUVEPRZFIPFW-SFHVURJKSA-N 0 1 290.366 3.718 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)[C@@H](C)C3CCC3)n[nH]2)cc1 ZINC000356866424 266198472 /nfs/dbraw/zinc/19/84/72/266198472.db2.gz IYZXJDNJVJABAB-ZDUSSCGKSA-N 0 1 297.402 3.646 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@H](CC)c1ccncc1 ZINC000356891726 266207038 /nfs/dbraw/zinc/20/70/38/266207038.db2.gz HEAOZTHWKJFBJV-XJKSGUPXSA-N 0 1 269.392 3.841 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccc(COC)cc1 ZINC000356902877 266208703 /nfs/dbraw/zinc/20/87/03/266208703.db2.gz RTUZCEIIZHFCJH-CQSZACIVSA-N 0 1 284.403 3.641 20 0 CHADMN Cc1cnc([C@H](C)N2CCC[C@@H](CC(C)C)C2)o1 ZINC000357009421 266232466 /nfs/dbraw/zinc/23/24/66/266232466.db2.gz VTGRSKAWQWDEII-KBPBESRZSA-N 0 1 250.386 3.802 20 0 CHADMN C[C@H]1CCN(Cc2cc(-c3ccco3)on2)CC12CCC2 ZINC000357033649 266237373 /nfs/dbraw/zinc/23/73/73/266237373.db2.gz HNDVRWIMBYGINQ-ZDUSSCGKSA-N 0 1 286.375 3.947 20 0 CHADMN c1nc(C2CCCC2)sc1CN1CCCSCC1 ZINC000357211107 266266981 /nfs/dbraw/zinc/26/69/81/266266981.db2.gz FAUNZFWIYSALON-UHFFFAOYSA-N 0 1 282.478 3.740 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114438882 266267875 /nfs/dbraw/zinc/26/78/75/266267875.db2.gz PABFMJIYWRZALX-SFHVURJKSA-N 0 1 295.386 3.525 20 0 CHADMN Cc1cnc(CN[C@]2(C)CCCc3ccccc32)s1 ZINC000357394675 266289192 /nfs/dbraw/zinc/28/91/92/266289192.db2.gz WRXAIHHKDZLVIC-MRXNPFEDSA-N 0 1 272.417 3.793 20 0 CHADMN C[C@H]1CCCC[C@@H]1OCCN(Cc1cccnc1)C1CC1 ZINC000357394526 266289407 /nfs/dbraw/zinc/28/94/07/266289407.db2.gz WHTQQNXULDREMU-YJBOKZPZSA-N 0 1 288.435 3.641 20 0 CHADMN Cc1cnc(CN[C@@]2(C)CCCc3ccccc32)s1 ZINC000357394669 266289842 /nfs/dbraw/zinc/28/98/42/266289842.db2.gz WRXAIHHKDZLVIC-INIZCTEOSA-N 0 1 272.417 3.793 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C2C[C@@H](C)C[C@H](C)C2)c1 ZINC000357490955 266308432 /nfs/dbraw/zinc/30/84/32/266308432.db2.gz DCSNXATUSCITOH-QWRGUYRKSA-N 0 1 289.375 3.606 20 0 CHADMN Cc1nc(CN2CCC[C@]3(CC=CCC3)C2)oc1C ZINC000114495246 266309096 /nfs/dbraw/zinc/30/90/96/266309096.db2.gz YEJQDVQLQATVOU-MRXNPFEDSA-N 0 1 260.381 3.614 20 0 CHADMN C[C@@H](NC[C@H]1SCCc2ccccc21)c1nccs1 ZINC000357802999 266367411 /nfs/dbraw/zinc/36/74/11/266367411.db2.gz ZOCRPCKBROVYLD-BXUZGUMPSA-N 0 1 290.457 3.824 20 0 CHADMN CSc1cc(CN[C@@H](C)c2ccccc2F)ccn1 ZINC000357852201 266376889 /nfs/dbraw/zinc/37/68/89/266376889.db2.gz NVSPQQYPMFJXRP-NSHDSACASA-N 0 1 276.380 3.793 20 0 CHADMN Cc1nccc(CN[C@@H](C)c2ccc(C3CC3)cc2)n1 ZINC000418109887 266395237 /nfs/dbraw/zinc/39/52/37/266395237.db2.gz AOQUHNBWDJUSBF-LBPRGKRZSA-N 0 1 267.376 3.513 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@H](C)c3cccc(F)c3)cc2[nH]1 ZINC000359040300 266526779 /nfs/dbraw/zinc/52/67/79/266526779.db2.gz IYZRZKAOQWIEKK-SNVBAGLBSA-N 0 1 297.333 3.753 20 0 CHADMN Cc1cc(NCC2(C(F)F)CC2)c2cc(F)ccc2n1 ZINC000359829533 266643202 /nfs/dbraw/zinc/64/32/02/266643202.db2.gz IDRHCXAXLHMUPC-UHFFFAOYSA-N 0 1 280.293 3.561 20 0 CHADMN COc1ccc(C2(NCc3cn(C(C)C)nc3C)CC2)cc1 ZINC000361888625 266900789 /nfs/dbraw/zinc/90/07/89/266900789.db2.gz LQGBZIIECASEPE-UHFFFAOYSA-N 0 1 299.418 3.560 20 0 CHADMN CCC1(CC)CCN(Cc2ncc(C3CC3)o2)CC1 ZINC000362594261 267016419 /nfs/dbraw/zinc/01/64/19/267016419.db2.gz ZQFSLLHWXOTGFR-UHFFFAOYSA-N 0 1 262.397 3.954 20 0 CHADMN Fc1ccccc1Oc1cc(CNCc2cc[nH]c2)ccn1 ZINC000362953444 267066212 /nfs/dbraw/zinc/06/62/12/267066212.db2.gz BCLOBYGOMVEKIT-UHFFFAOYSA-N 0 1 297.333 3.631 20 0 CHADMN C[C@@H](NCc1ccncc1F)c1ccc(C2CC2)cc1 ZINC000418113899 267077381 /nfs/dbraw/zinc/07/73/81/267077381.db2.gz KMDVLPGERVQBCD-GFCCVEGCSA-N 0 1 270.351 3.949 20 0 CHADMN c1ccc2oc(CN3CCC4(CCC4)CC3)nc2c1 ZINC000367527804 267097221 /nfs/dbraw/zinc/09/72/21/267097221.db2.gz SERUTIVJHCPMCM-UHFFFAOYSA-N 0 1 256.349 3.594 20 0 CHADMN Cc1nnc(CN2CC[C@H](C)C3(CCCCC3)C2)s1 ZINC000368154817 267149227 /nfs/dbraw/zinc/14/92/27/267149227.db2.gz XFFDFHRYTWCSGX-LBPRGKRZSA-N 0 1 279.453 3.639 20 0 CHADMN FC(F)(F)c1ccc([C@H]2CCN(Cc3ccon3)C2)cc1 ZINC000368361145 267165777 /nfs/dbraw/zinc/16/57/77/267165777.db2.gz LVKKKDSTORRPGH-LBPRGKRZSA-N 0 1 296.292 3.683 20 0 CHADMN C[C@H](NCc1cnc2n1CCCC2)c1ccc(Cl)cc1 ZINC000368499325 267177635 /nfs/dbraw/zinc/17/76/35/267177635.db2.gz PAQRLVMPAGDUBI-LBPRGKRZSA-N 0 1 289.810 3.724 20 0 CHADMN COc1ccc2c(c1)OCC[C@@H]2N[C@H](C)c1cccc(O)c1 ZINC000369106553 267221343 /nfs/dbraw/zinc/22/13/43/267221343.db2.gz JPBFVRLQULXIPP-PXAZEXFGSA-N 0 1 299.370 3.575 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCSC(C)(C)C)no1 ZINC000369225078 267227902 /nfs/dbraw/zinc/22/79/02/267227902.db2.gz NLNVUHKYXKHLDG-ZDUSSCGKSA-N 0 1 268.426 3.652 20 0 CHADMN Cc1cnc(CN[C@@H](C)c2ccc(C3CC3)cc2)cn1 ZINC000418117436 267235714 /nfs/dbraw/zinc/23/57/14/267235714.db2.gz TWEORZVUIHBUTO-ZDUSSCGKSA-N 0 1 267.376 3.513 20 0 CHADMN CC(C)c1nc(CN2CCCC3(CCOCC3)C2)cs1 ZINC000369377706 267238831 /nfs/dbraw/zinc/23/88/31/267238831.db2.gz CDFUNCAUWQXBTM-UHFFFAOYSA-N 0 1 294.464 3.659 20 0 CHADMN CCO[C@H](C)c1nc(C[N@H+]2CCC[C@H]2C2CC2)cs1 ZINC000369478570 267245791 /nfs/dbraw/zinc/24/57/91/267245791.db2.gz KHBMWUKKWRUCMI-RISCZKNCSA-N 0 1 280.437 3.615 20 0 CHADMN CCO[C@H](C)c1nc(CN2CCC[C@H]2C2CC2)cs1 ZINC000369478570 267245793 /nfs/dbraw/zinc/24/57/93/267245793.db2.gz KHBMWUKKWRUCMI-RISCZKNCSA-N 0 1 280.437 3.615 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)N1CCc2n[nH]cc2C1 ZINC000118852814 267274177 /nfs/dbraw/zinc/27/41/77/267274177.db2.gz HVGHUYFSYUGKOA-ZDUSSCGKSA-N 0 1 277.371 3.682 20 0 CHADMN CN(Cc1cccnc1)Cc1ccc(Cl)c2cccnc12 ZINC000119056244 267294279 /nfs/dbraw/zinc/29/42/79/267294279.db2.gz ZTMLBSUOVPGOTM-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN CC(C)c1ncc(CN2CCSC[C@@H]2C2CCC2)s1 ZINC000418124152 267326379 /nfs/dbraw/zinc/32/63/79/267326379.db2.gz HCDVPOOADLUIAF-CQSZACIVSA-N 0 1 296.505 3.984 20 0 CHADMN Cc1cc(C)n2c(CN(C)[C@@H](C)c3ccccc3)cnc2n1 ZINC000119376952 267326385 /nfs/dbraw/zinc/32/63/85/267326385.db2.gz OQJVCSWTLYIIIW-HNNXBMFYSA-N 0 1 294.402 3.539 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN2CCC(OCC3CC3)CC2)o1 ZINC000371333973 267391506 /nfs/dbraw/zinc/39/15/06/267391506.db2.gz FOXJKPNFSXMLHL-GUYCJALGSA-N 0 1 289.419 3.794 20 0 CHADMN Cc1csc(NC2CCN(Cc3ccsc3)CC2)n1 ZINC000375216916 267839539 /nfs/dbraw/zinc/83/95/39/267839539.db2.gz AEZNXTCBMWXORM-UHFFFAOYSA-N 0 1 293.461 3.590 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000122769526 267924399 /nfs/dbraw/zinc/92/43/99/267924399.db2.gz UDKSSJLHDBJSFR-DOMZBBRYSA-N 0 1 285.391 3.604 20 0 CHADMN CC(C)CN[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000122955834 267957817 /nfs/dbraw/zinc/95/78/17/267957817.db2.gz XOLONYAOXGBSDP-SNVBAGLBSA-N 0 1 279.771 3.697 20 0 CHADMN Cc1ccc(-c2noc(CN3[C@H](C)CC[C@H]3C)n2)cc1F ZINC000123135486 268002298 /nfs/dbraw/zinc/00/22/98/268002298.db2.gz UEWUTILQUJUNMN-VXGBXAGGSA-N 0 1 289.354 3.557 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1nc(C(C)(C)C)cs1 ZINC000123249646 268018292 /nfs/dbraw/zinc/01/82/92/268018292.db2.gz CCNXFDFQQJXBAL-GHMZBOCLSA-N 0 1 252.427 3.813 20 0 CHADMN Cc1ccc(C)c(CSc2nc(C3CC3)n[nH]2)c1 ZINC000123385264 268041032 /nfs/dbraw/zinc/04/10/32/268041032.db2.gz SVNFMHINXKEGHR-UHFFFAOYSA-N 0 1 259.378 3.591 20 0 CHADMN Cc1ccc(C)c(CSc2n[nH]c(C3CC3)n2)c1 ZINC000123385264 268041033 /nfs/dbraw/zinc/04/10/33/268041033.db2.gz SVNFMHINXKEGHR-UHFFFAOYSA-N 0 1 259.378 3.591 20 0 CHADMN CCc1ccc(C(C)(C)NCc2nc(C)c(C)[nH]2)cc1 ZINC000570816893 327622402 /nfs/dbraw/zinc/62/24/02/327622402.db2.gz WVPQFHCGOVBLRI-UHFFFAOYSA-N 0 1 271.408 3.614 20 0 CHADMN C[C@H](NCc1ccn(C)c1)c1ccc(F)cc1Cl ZINC000158486254 327629601 /nfs/dbraw/zinc/62/96/01/327629601.db2.gz YGFBIYYGBUWKIX-JTQLQIEISA-N 0 1 266.747 3.668 20 0 CHADMN Cc1ccc2c(c1)nc(-c1cc(F)c(O)c(F)c1)n2C ZINC000175926074 327682999 /nfs/dbraw/zinc/68/29/99/327682999.db2.gz SIIWRVNOFWYGFR-UHFFFAOYSA-N 0 1 274.270 3.533 20 0 CHADMN Cc1nc(N2[C@H](C)CC[C@@H]2C)cc(N2[C@H](C)CC[C@@H]2C)n1 ZINC000536536739 327710632 /nfs/dbraw/zinc/71/06/32/327710632.db2.gz YEUZQHNIWACLMF-KPWCQOOUSA-N 0 1 288.439 3.539 20 0 CHADMN Cc1ccc(/C=C\Cc2nc(C3(N)CCCCC3)no2)cc1 ZINC000562970220 327711563 /nfs/dbraw/zinc/71/15/63/327711563.db2.gz ZGDNQDRMTMBANH-WAYWQWQTSA-N 0 1 297.402 3.752 20 0 CHADMN F[C@H]1CCC[C@H]1NCc1ccc(Cl)c(Cl)c1 ZINC000378703029 327752591 /nfs/dbraw/zinc/75/25/91/327752591.db2.gz OHWXXXLZVGNKRQ-NWDGAFQWSA-N 0 1 262.155 3.974 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1ccc2c(c1)OCO2 ZINC000183115853 327758068 /nfs/dbraw/zinc/75/80/68/327758068.db2.gz JDLYXHNAUFIBMM-CYBMUJFWSA-N 0 1 299.370 3.583 20 0 CHADMN CC(C)c1ccc(CNCc2c3c(nn2C)CCCC3)cc1 ZINC000462873992 327789604 /nfs/dbraw/zinc/78/96/04/327789604.db2.gz ZRPMEHWCXMYLPK-UHFFFAOYSA-N 0 1 297.446 3.712 20 0 CHADMN CCOC1(CNCc2c(F)cccc2Cl)CCCC1 ZINC000389069840 328610396 /nfs/dbraw/zinc/61/03/96/328610396.db2.gz WFPNHPLAGLDTAZ-UHFFFAOYSA-N 0 1 285.790 3.918 20 0 CHADMN COc1ccccc1[C@@H](CNCc1ccco1)OC(C)C ZINC000185720305 327843223 /nfs/dbraw/zinc/84/32/23/327843223.db2.gz CJOBDWXTEMEUSM-QGZVFWFLSA-N 0 1 289.375 3.544 20 0 CHADMN Cc1oc2ccccc2c1CN[C@@H](C)c1nccnc1C ZINC000188478092 327864069 /nfs/dbraw/zinc/86/40/69/327864069.db2.gz QJKXWTHBSMIVFF-LBPRGKRZSA-N 0 1 281.359 3.690 20 0 CHADMN C/C(=C\c1ccc(Cl)cc1)CNCc1snnc1C ZINC000492418678 327878957 /nfs/dbraw/zinc/87/89/57/327878957.db2.gz SOVWLNDHSCJEHB-JXMROGBWSA-N 0 1 293.823 3.693 20 0 CHADMN CC[C@@H](C[N@@H+](CC)CC1(CC(=O)[O-])CC1)c1ccccc1 ZINC000563282683 328007625 /nfs/dbraw/zinc/00/76/25/328007625.db2.gz KAIFSOYVCBZLIA-HNNXBMFYSA-N 0 1 289.419 3.757 20 0 CHADMN CC(C)c1ccc([C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc1 ZINC000563288194 328009031 /nfs/dbraw/zinc/00/90/31/328009031.db2.gz DELLJABYIWSPJZ-HBUWYVDXSA-N 0 1 289.419 3.914 20 0 CHADMN C[C@@H]1CN(Cc2c(Cl)ccc3cccnc32)[C@H]1C ZINC000339572579 328011724 /nfs/dbraw/zinc/01/17/24/328011724.db2.gz AGEFLHNQCGXQJQ-MNOVXSKESA-N 0 1 260.768 3.728 20 0 CHADMN CC(C)CO[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC000531587307 328016578 /nfs/dbraw/zinc/01/65/78/328016578.db2.gz FQDOMQOVQNOQBO-CQSZACIVSA-N 0 1 267.800 3.587 20 0 CHADMN Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)NCCC(C)(C)C)cc1 ZINC000531643132 328021412 /nfs/dbraw/zinc/02/14/12/328021412.db2.gz WYXKBPSYQJFDEZ-OAHLLOKOSA-N 0 1 290.451 3.540 20 0 CHADMN Cc1ccc([C@@H](C)N(C)CC(=O)NCCC(C)(C)C)cc1 ZINC000531643132 328021414 /nfs/dbraw/zinc/02/14/14/328021414.db2.gz WYXKBPSYQJFDEZ-OAHLLOKOSA-N 0 1 290.451 3.540 20 0 CHADMN c1cc(CN[C@@H]2CCCc3c4ccccc4sc32)n[nH]1 ZINC000531720519 328028444 /nfs/dbraw/zinc/02/84/44/328028444.db2.gz UPFCQPAXXIVWAC-CQSZACIVSA-N 0 1 283.400 3.792 20 0 CHADMN CC[C@@H](C)CN(C)Cc1nc(C(C)(C)C)cs1 ZINC000531780196 328033456 /nfs/dbraw/zinc/03/34/56/328033456.db2.gz UMXNLCTVUYRJNI-LLVKDONJSA-N 0 1 254.443 3.919 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1ccc(Br)s1 ZINC000531816215 328038601 /nfs/dbraw/zinc/03/86/01/328038601.db2.gz WHKUHDRFOTTYSJ-IUCAKERBSA-N 0 1 274.227 3.883 20 0 CHADMN c1csc(-c2ncc(CN3C4CCC3CC4)s2)c1 ZINC000534331467 328046449 /nfs/dbraw/zinc/04/64/49/328046449.db2.gz RFMCVYKMDFTGOQ-UHFFFAOYSA-N 0 1 276.430 3.998 20 0 CHADMN Clc1ccc2nc(SC[C@H]3CCCOC3)[nH]c2c1 ZINC000531875794 328053189 /nfs/dbraw/zinc/05/31/89/328053189.db2.gz DGVQALCCUQZPIZ-VIFPVBQESA-N 0 1 282.796 3.735 20 0 CHADMN CCc1ncc(CN[C@H]2CC(C)(C)Cc3oc(C)cc32)cn1 ZINC000563351453 328057215 /nfs/dbraw/zinc/05/72/15/328057215.db2.gz ACVZPEKBKRGZAC-HNNXBMFYSA-N 0 1 299.418 3.744 20 0 CHADMN Cc1nsc(C)c1CN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000563352918 328057413 /nfs/dbraw/zinc/05/74/13/328057413.db2.gz INOXEBFYVKIBIP-KWQFWETISA-N 0 1 278.343 3.533 20 0 CHADMN Cc1cccc(CCC[N@H+]2[C@H](C)CC[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC000563455195 328067595 /nfs/dbraw/zinc/06/75/95/328067595.db2.gz UTUZOHHAKYAMDQ-VYDXJSESSA-N 0 1 289.419 3.501 20 0 CHADMN Cc1ccc(F)cc1CN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000563483913 328069193 /nfs/dbraw/zinc/06/91/93/328069193.db2.gz VQBLXXIWOZLIFJ-CVEARBPZSA-N 0 1 277.383 3.524 20 0 CHADMN CCO[C@@H]1C[C@H]1N[C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000563510318 328070837 /nfs/dbraw/zinc/07/08/37/328070837.db2.gz KLKMHYQXUQXXMW-FSPWUOQZSA-N 0 1 298.386 3.702 20 0 CHADMN Cc1cc(-c2noc([C@]3(C)C[C@H]4C[C@H]4C3)n2)cc2nc[nH]c21 ZINC000563670481 328083407 /nfs/dbraw/zinc/08/34/07/328083407.db2.gz JRTDOVZIUPXIGN-DPIQGUFMSA-N 0 1 294.358 3.609 20 0 CHADMN Oc1ccc(Cl)cc1-c1nc(C2CCSCC2)no1 ZINC000402190536 328083626 /nfs/dbraw/zinc/08/36/26/328083626.db2.gz BQOVSPRIQVXPCN-UHFFFAOYSA-N 0 1 296.779 3.706 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1CC[C@H](C(=O)[O-])c1ccccc1 ZINC000571171902 328090442 /nfs/dbraw/zinc/09/04/42/328090442.db2.gz CNRUDIIWUNFRCY-IRXDYDNUSA-N 0 1 289.419 3.900 20 0 CHADMN COCC(C)(C)CCCNc1noc2ccc(Cl)cc21 ZINC000571218595 328092797 /nfs/dbraw/zinc/09/27/97/328092797.db2.gz WHDJEVNKJOROOE-UHFFFAOYSA-N 0 1 296.798 3.768 20 0 CHADMN Clc1cccc(CNCCOCC2CCC2)c1Cl ZINC000571222058 328093107 /nfs/dbraw/zinc/09/31/07/328093107.db2.gz ONMBFHAWHCSYCP-UHFFFAOYSA-N 0 1 288.218 3.900 20 0 CHADMN CCN(Cc1nc(-c2cccs2)no1)C1CC(C)(C)C1 ZINC000412042358 328102064 /nfs/dbraw/zinc/10/20/64/328102064.db2.gz VAFVLUXWBRIQIK-UHFFFAOYSA-N 0 1 291.420 3.809 20 0 CHADMN CC(C)CCC[N@H+](Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000571452846 328122804 /nfs/dbraw/zinc/12/28/04/328122804.db2.gz KEDZINQREXYFLF-OAHLLOKOSA-N 0 1 277.408 3.646 20 0 CHADMN C[C@H]1CCC[C@H](C)C1NCc1noc(Cc2ccccc2)n1 ZINC000571455377 328123178 /nfs/dbraw/zinc/12/31/78/328123178.db2.gz KXPVMAVIMFLOKK-KBPBESRZSA-N 0 1 299.418 3.575 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@H+]1CCCc1cccc2ccccc21 ZINC000571529535 328132086 /nfs/dbraw/zinc/13/20/86/328132086.db2.gz MKMCBIGZFWHAFW-QGZVFWFLSA-N 0 1 297.398 3.712 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(Cl)c(Cl)c1 ZINC000336713153 328136988 /nfs/dbraw/zinc/13/69/88/328136988.db2.gz UFNQLBSHXYNQLR-UHFFFAOYSA-N 0 1 256.136 3.637 20 0 CHADMN COc1ccc(CS[C@@H](C)c2n[nH]c(C)n2)cc1Cl ZINC000413008892 328139090 /nfs/dbraw/zinc/13/90/90/328139090.db2.gz ZJZXXHKIXKTGAA-QMMMGPOBSA-N 0 1 297.811 3.770 20 0 CHADMN Cc1ccccc1[C@@H](N[C@H](C)c1cc2n(n1)CCC2)C1CC1 ZINC000414112697 328152858 /nfs/dbraw/zinc/15/28/58/328152858.db2.gz KABJBGZSYZEZOR-KUHUBIRLSA-N 0 1 295.430 3.940 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccc(Cl)cn1 ZINC000414301710 328154179 /nfs/dbraw/zinc/15/41/79/328154179.db2.gz BODGKJMAPQLEOS-UFGOTCBOSA-N 0 1 256.752 3.666 20 0 CHADMN CCc1ncc(CN(C2CC2)[C@@H]2CCc3ccccc32)cn1 ZINC000414368578 328156214 /nfs/dbraw/zinc/15/62/14/328156214.db2.gz HNKYVHQAFNZBRL-GOSISDBHSA-N 0 1 293.414 3.691 20 0 CHADMN CCc1ncc(C[N@H+]2CCC[C@@H]2c2cc(C)ccc2C)cn1 ZINC000414393587 328162173 /nfs/dbraw/zinc/16/21/73/328162173.db2.gz DQRPKKCGZDHIIQ-GOSISDBHSA-N 0 1 295.430 3.993 20 0 CHADMN COc1cc([C@@H](C)NCc2ccoc2)ccc1SC ZINC000268814903 328186093 /nfs/dbraw/zinc/18/60/93/328186093.db2.gz FUVCFDUFCSRBKV-LLVKDONJSA-N 0 1 277.389 3.861 20 0 CHADMN c1[nH]nc2c1CCC[C@@H]2NCc1csc2ccccc12 ZINC000268815902 328186281 /nfs/dbraw/zinc/18/62/81/328186281.db2.gz GAWQEUVCHNJBJF-AWEZNQCLSA-N 0 1 283.400 3.792 20 0 CHADMN Cc1c(CN2CCCC[C@H]2c2ccc(F)cc2)cnn1C ZINC000268959599 328187424 /nfs/dbraw/zinc/18/74/24/328187424.db2.gz XAACZUBTEBIGAF-KRWDZBQOSA-N 0 1 287.382 3.595 20 0 CHADMN CC[C@@H](NCc1cccc(O)c1OC)c1ccccc1 ZINC000414497332 328188994 /nfs/dbraw/zinc/18/89/94/328188994.db2.gz SOTDBECNFJTGDA-OAHLLOKOSA-N 0 1 271.360 3.642 20 0 CHADMN Cc1nnsc1CN(C)[C@@H](c1ccccc1C)C(C)C ZINC000571646436 328190817 /nfs/dbraw/zinc/19/08/17/328190817.db2.gz PXMHYBUSERJITJ-MRXNPFEDSA-N 0 1 289.448 3.984 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@@H]2NCc1cn2ccccc2n1 ZINC000271139608 328195296 /nfs/dbraw/zinc/19/52/96/328195296.db2.gz NZJKGABCGQBLNL-PBHICJAKSA-N 0 1 291.398 3.981 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccccn2)cc1C ZINC000273041261 328203331 /nfs/dbraw/zinc/20/33/31/328203331.db2.gz HTQVYILXWOCNPV-ZIAGYGMSSA-N 0 1 270.376 3.810 20 0 CHADMN CC(C)[C@H]1CC[C@H](c2nc(C3(N)CCCC3)no2)CC1 ZINC000414618720 328203929 /nfs/dbraw/zinc/20/39/29/328203929.db2.gz MZNOPLWKVZFCGR-JOCQHMNTSA-N 0 1 277.412 3.727 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cc(C(=O)OC)co1)c1ccccc1 ZINC000278688420 328229576 /nfs/dbraw/zinc/22/95/76/328229576.db2.gz KGKSUHHXWRCWBG-SWLSCSKDSA-N 0 1 287.359 3.868 20 0 CHADMN Cc1cnc(CN(C)[C@H](C)Cc2ccc(C)cc2)s1 ZINC000180504033 329219969 /nfs/dbraw/zinc/21/99/69/329219969.db2.gz LJJBSTPWPFPVGP-CYBMUJFWSA-N 0 1 274.433 3.823 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2ncccc2N(C)C)c1 ZINC000289949846 328257018 /nfs/dbraw/zinc/25/70/18/328257018.db2.gz WKEVKVHQBIAZBF-OAHLLOKOSA-N 0 1 283.419 3.615 20 0 CHADMN Cn1ccnc1[C@@H](NC[C@@H]1CC=CCC1)c1ccc(F)cc1 ZINC000298414155 328296277 /nfs/dbraw/zinc/29/62/77/328296277.db2.gz NWAYPJPSLFABQL-PBHICJAKSA-N 0 1 299.393 3.595 20 0 CHADMN CCc1nc(NC(=O)c2ccc(O)c(Cl)c2)sc1C ZINC000048353350 328300570 /nfs/dbraw/zinc/30/05/70/328300570.db2.gz PPAXXHWUXYSITN-UHFFFAOYSA-N 0 1 296.779 3.625 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nccnc1C)c1ccc(OC)cc1 ZINC000187698699 328300858 /nfs/dbraw/zinc/30/08/58/328300858.db2.gz CDBXELIZZGFKBN-XJKSGUPXSA-N 0 1 285.391 3.596 20 0 CHADMN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000048652307 328314532 /nfs/dbraw/zinc/31/45/32/328314532.db2.gz UXWTTWWMDPIWJR-UHFFFAOYSA-N 0 1 293.363 3.552 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccoc2)ccc1OC(F)F ZINC000531944519 328323491 /nfs/dbraw/zinc/32/34/91/328323491.db2.gz VGSFHUHXBSEEPJ-JTQLQIEISA-N 0 1 297.301 3.740 20 0 CHADMN Cc1nc(CN(C)CC2CCCC2)nc2ccccc12 ZINC000303017634 328322475 /nfs/dbraw/zinc/32/24/75/328322475.db2.gz SOZFIBMNQREWMB-UHFFFAOYSA-N 0 1 269.392 3.560 20 0 CHADMN C[C@H]1CN(CCCOc2ccc3ccccc3c2)[C@@H](C)CO1 ZINC000303229436 328328293 /nfs/dbraw/zinc/32/82/93/328328293.db2.gz XJKWZOXXEMAKKL-HOTGVXAUSA-N 0 1 299.414 3.718 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N1CCCC2(CCCCC2)C1 ZINC000111161841 328328524 /nfs/dbraw/zinc/32/85/24/328328524.db2.gz RMNXMWFABOPCEA-UHFFFAOYSA-N 0 1 297.402 3.749 20 0 CHADMN COc1ccc(C[C@@H](C)CNc2cc(C)ccn2)cc1 ZINC000534629565 328328536 /nfs/dbraw/zinc/32/85/36/328328536.db2.gz KKUQSQSHNHWPPC-CQSZACIVSA-N 0 1 270.376 3.689 20 0 CHADMN CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(C(C)C)[nH]n1 ZINC000111194825 328335418 /nfs/dbraw/zinc/33/54/18/328335418.db2.gz OLABHKDXIGQJSX-AWEZNQCLSA-N 0 1 299.418 3.974 20 0 CHADMN Cc1cc(C)c(NC(=O)CN(C)CC2CCC2)c(Cl)c1 ZINC000111299578 328345183 /nfs/dbraw/zinc/34/51/83/328345183.db2.gz BDJKLPGKRYWIEB-UHFFFAOYSA-N 0 1 294.826 3.627 20 0 CHADMN CCCN(C)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000049480644 328364670 /nfs/dbraw/zinc/36/46/70/328364670.db2.gz ORGFWBQYUIYECS-SECBINFHSA-N 0 1 289.206 3.662 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2ccc(Cl)c(Cl)c2)C[C@H]1O ZINC000534864218 328366018 /nfs/dbraw/zinc/36/60/18/328366018.db2.gz XYMGFGFXYRDURV-GPCCPHFNSA-N 0 1 288.218 3.757 20 0 CHADMN C[C@H](CCc1ccccc1)N1CCOC2(CCCC2)C1 ZINC000531988443 328382198 /nfs/dbraw/zinc/38/21/98/328382198.db2.gz BFTRXZGGOSUDRQ-MRXNPFEDSA-N 0 1 273.420 3.653 20 0 CHADMN CC[C@@H]1CCN(Cc2csc(Br)c2)C1 ZINC000532038443 328398375 /nfs/dbraw/zinc/39/83/75/328398375.db2.gz HNPZFOWBMAVYOP-SECBINFHSA-N 0 1 274.227 3.743 20 0 CHADMN CC[C@H](NCc1ccccc1CO)c1ccc(F)cc1F ZINC000305166550 328395125 /nfs/dbraw/zinc/39/51/25/328395125.db2.gz YPGFOLZSZBXTTD-KRWDZBQOSA-N 0 1 291.341 3.698 20 0 CHADMN C[C@@H](NCc1ccccc1CO)c1cnc2ccsc2c1 ZINC000305169616 328395311 /nfs/dbraw/zinc/39/53/11/328395311.db2.gz ZLMXDZRRDHHIAF-GFCCVEGCSA-N 0 1 298.411 3.639 20 0 CHADMN Cc1ccc([C@@H]2CCC[C@@H]2N(C)Cc2nccc(C)n2)cc1 ZINC000535207863 328395868 /nfs/dbraw/zinc/39/58/68/328395868.db2.gz SSFQZMCMYGNCNP-ROUUACIJSA-N 0 1 295.430 3.862 20 0 CHADMN Fc1cccc(CNCc2ccc(OC(F)F)cc2)c1F ZINC000070160414 328436493 /nfs/dbraw/zinc/43/64/93/328436493.db2.gz DYNFFMKCLUPDSQ-UHFFFAOYSA-N 0 1 299.267 3.856 20 0 CHADMN COc1cc(CN[C@H](C)c2ccccc2F)ccc1C ZINC000112534426 328440369 /nfs/dbraw/zinc/44/03/69/328440369.db2.gz FKDIQPJUZJWQJA-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2CCCC[C@@H]2C)no1 ZINC000162337523 328484130 /nfs/dbraw/zinc/48/41/30/328484130.db2.gz QPKOIGMCTFHMNT-DZGCQCFKSA-N 0 1 285.391 3.713 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NCc1cc2cc(C)ccc2o1 ZINC000563721965 328495948 /nfs/dbraw/zinc/49/59/48/328495948.db2.gz GNVVLOULBGGYHR-GFCCVEGCSA-N 0 1 283.375 3.634 20 0 CHADMN C[C@@H]1C[C@@H](NCc2csnn2)C[C@H](c2ccccc2)C1 ZINC000398361292 328591072 /nfs/dbraw/zinc/59/10/72/328591072.db2.gz FSODBVRTFYVVLP-NWANDNLSSA-N 0 1 287.432 3.600 20 0 CHADMN Cn1c2ccc(Cl)cc2nc1CN1CCC(C)(C)CC1 ZINC000533402164 326828688 /nfs/dbraw/zinc/82/86/88/326828688.db2.gz WFDDSFVDTMTMIQ-UHFFFAOYSA-N 0 1 291.826 3.849 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccccc1F)CC2 ZINC000113310422 328601442 /nfs/dbraw/zinc/60/14/42/328601442.db2.gz ATPKYYIHWMNNFN-KRWDZBQOSA-N 0 1 255.336 3.911 20 0 CHADMN CCOC(=O)CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039156043 326856795 /nfs/dbraw/zinc/85/67/95/326856795.db2.gz RBELBZMBOGORCE-UHFFFAOYSA-N 0 1 295.810 3.505 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc3c2OCO3)cc1 ZINC000037770601 326861110 /nfs/dbraw/zinc/86/11/10/326861110.db2.gz CSFGRSCNXDXMTN-ZDUSSCGKSA-N 0 1 269.344 3.575 20 0 CHADMN CSc1ccc([C@@H](C)N[C@H](C)c2cnccn2)cc1 ZINC000070478404 326916947 /nfs/dbraw/zinc/91/69/47/326916947.db2.gz IOVCDRJGUYJNCX-VXGBXAGGSA-N 0 1 273.405 3.610 20 0 CHADMN Cc1c([C@H](C)N[C@H](C)c2ccc(Cl)s2)cnn1C ZINC000037167586 326918212 /nfs/dbraw/zinc/91/82/12/326918212.db2.gz HMWUCFRSHHLQPD-DTWKUNHWSA-N 0 1 283.828 3.855 20 0 CHADMN COC[C@@H](NCc1ccc(C)cc1C)c1ccc(F)cc1 ZINC000530968196 326949931 /nfs/dbraw/zinc/94/99/31/326949931.db2.gz QAPBTSQQXQJLDE-GOSISDBHSA-N 0 1 287.378 3.920 20 0 CHADMN CCC[C@@](C)(CC)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000474771147 517601296 /nfs/dbraw/zinc/60/12/96/517601296.db2.gz AXMAJIQBSANREP-GOEBONIOSA-N 0 1 296.480 3.683 20 0 CHADMN C(N[C@@H]1CCCCC12CCCC2)c1nnc(C2CC2)o1 ZINC000556843305 326971788 /nfs/dbraw/zinc/97/17/88/326971788.db2.gz ZXMQMGFXHOKPLP-CYBMUJFWSA-N 0 1 275.396 3.540 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@@H](C)c2nccs2)C12CCCC2 ZINC000085681708 326974345 /nfs/dbraw/zinc/97/43/45/326974345.db2.gz HWSSWSIYDUSIDE-RWMBFGLXSA-N 0 1 280.437 3.532 20 0 CHADMN CCc1ccc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)o1 ZINC000557548463 327012840 /nfs/dbraw/zinc/01/28/40/327012840.db2.gz HNSOMOGQNXIDCA-IBGZPJMESA-N 0 1 297.398 3.812 20 0 CHADMN Cc1cc(CNc2cnccc2-n2cccn2)c(C)s1 ZINC000557933318 327035712 /nfs/dbraw/zinc/03/57/12/327035712.db2.gz WDEHYWBYJDWJMH-UHFFFAOYSA-N 0 1 284.388 3.558 20 0 CHADMN CC1CCC(O)(CNc2ccc3cnccc3c2)CC1 ZINC000564867244 327036950 /nfs/dbraw/zinc/03/69/50/327036950.db2.gz CUKLUWFQRUFKQB-UHFFFAOYSA-N 0 1 270.376 3.588 20 0 CHADMN CC[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2C)C1 ZINC000030142084 327052694 /nfs/dbraw/zinc/05/26/94/327052694.db2.gz XPUWZBXOYDWOQO-CYBMUJFWSA-N 0 1 294.826 3.709 20 0 CHADMN COc1cc([C@H](C)N[C@H](C)c2ccc(C)cc2)c(F)cn1 ZINC000558224981 327079820 /nfs/dbraw/zinc/07/98/20/327079820.db2.gz BBTHFNXAGOAHRV-OLZOCXBDSA-N 0 1 288.366 3.950 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NCC(C)(C)C(C)(C)C ZINC000558265307 327084286 /nfs/dbraw/zinc/08/42/86/327084286.db2.gz JNYLACMLXLVMQA-UHFFFAOYSA-N 0 1 279.428 3.644 20 0 CHADMN CC(C)c1cc(C(=O)N2CCC[C@H](c3ccccc3)C2)n[nH]1 ZINC000558305289 327086582 /nfs/dbraw/zinc/08/65/82/327086582.db2.gz KWFUOSROWNELQH-HNNXBMFYSA-N 0 1 297.402 3.553 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000262048997 327089281 /nfs/dbraw/zinc/08/92/81/327089281.db2.gz CRCOSYBFRUCCQS-HNNXBMFYSA-N 0 1 297.398 3.917 20 0 CHADMN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1ccc(C)c(F)c1 ZINC000558422365 327093016 /nfs/dbraw/zinc/09/30/16/327093016.db2.gz BKUDRTPFUAPLGD-MRXNPFEDSA-N 0 1 287.382 3.811 20 0 CHADMN C[C@@H](c1ccccc1F)N1CCC(F)(F)[C@H](C)C1 ZINC000558467612 327096617 /nfs/dbraw/zinc/09/66/17/327096617.db2.gz ZLRJJMRVGCWEMZ-MNOVXSKESA-N 0 1 257.299 3.864 20 0 CHADMN C[N@@H+](CC[C@@H](C(=O)[O-])c1ccccc1)CC1CCCCC1 ZINC000569347474 327119177 /nfs/dbraw/zinc/11/91/77/327119177.db2.gz DJJWMACUCVHYHH-QGZVFWFLSA-N 0 1 289.419 3.757 20 0 CHADMN CC(C)(C)c1[nH]ncc1C(=O)Nc1cccc(Cl)c1 ZINC000558787778 327120490 /nfs/dbraw/zinc/12/04/90/327120490.db2.gz TVVHDXGRYLSFTP-UHFFFAOYSA-N 0 1 277.755 3.613 20 0 CHADMN Cc1cnc(CN2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)o1 ZINC000075750250 327127554 /nfs/dbraw/zinc/12/75/54/327127554.db2.gz FBGQTCYJZMJIOD-FZMZJTMJSA-N 0 1 274.339 3.500 20 0 CHADMN CCOc1ccc(CN2C[C@@H](C)S[C@H](C)C2)cc1F ZINC000559111675 327141957 /nfs/dbraw/zinc/14/19/57/327141957.db2.gz HWCMYFXMAYUODB-VXGBXAGGSA-N 0 1 283.412 3.550 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1cc(O)cc(C(F)(F)F)c1 ZINC000569349266 327142582 /nfs/dbraw/zinc/14/25/82/327142582.db2.gz MDKJVFWDJDMOKY-VHSXEESVSA-N 0 1 273.298 3.641 20 0 CHADMN COc1cc(F)cc(CN[C@@H](C)c2ccccc2F)c1 ZINC000093899245 327146086 /nfs/dbraw/zinc/14/60/86/327146086.db2.gz QISKSWHLAPAPSG-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN Cc1cscc1CNCc1cnc(-c2ccccc2)nc1 ZINC000573420452 327157310 /nfs/dbraw/zinc/15/73/10/327157310.db2.gz CXQGCVUKOZUNRB-UHFFFAOYSA-N 0 1 295.411 3.803 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(F)F)cc2)CC2(CCC2)O1 ZINC000566185035 327159804 /nfs/dbraw/zinc/15/98/04/327159804.db2.gz UPOQRWIHKUFHEX-GFCCVEGCSA-N 0 1 281.346 3.768 20 0 CHADMN COc1c(C)cnc(CN(Cc2ccccc2)C2CC2)c1C ZINC000409444698 327161588 /nfs/dbraw/zinc/16/15/88/327161588.db2.gz ZLVGBRGSEYNUJC-UHFFFAOYSA-N 0 1 296.414 3.872 20 0 CHADMN CC1(F)CC(NCc2cccc(F)c2Br)C1 ZINC000449375330 327180121 /nfs/dbraw/zinc/18/01/21/327180121.db2.gz GQHGHSFHYSAYTA-UHFFFAOYSA-N 0 1 290.151 3.568 20 0 CHADMN C[C@H](N[C@@H]1CCC(C)(C)c2ccccc21)c1cnccn1 ZINC000089516959 327171089 /nfs/dbraw/zinc/17/10/89/327171089.db2.gz XGMOSNHITDACJX-XJKSGUPXSA-N 0 1 281.403 3.940 20 0 CHADMN CCCCN(Cc1cc[nH]n1)[C@@H](C)c1ccccc1 ZINC000092263507 327190493 /nfs/dbraw/zinc/19/04/93/327190493.db2.gz NIBUNMDWKJUDIX-AWEZNQCLSA-N 0 1 257.381 3.773 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1ccnc(Cl)c1 ZINC000092224405 327190527 /nfs/dbraw/zinc/19/05/27/327190527.db2.gz FHZJQXMVKCGZJU-CQSZACIVSA-N 0 1 275.783 3.713 20 0 CHADMN COc1cccc([C@@H]2CN(C[C@H](C)CC(C)C)CCO2)c1 ZINC000410416522 327193384 /nfs/dbraw/zinc/19/33/84/327193384.db2.gz ZFMYRXOZOPKBPC-QAPCUYQASA-N 0 1 291.435 3.751 20 0 CHADMN Cc1cc([C@@H](C)NCCc2c(C)cc(C)cc2C)no1 ZINC000569534458 327194458 /nfs/dbraw/zinc/19/44/58/327194458.db2.gz YGZLDKUQXIIDHB-OAHLLOKOSA-N 0 1 272.392 3.802 20 0 CHADMN CCCOc1c(CN[C@H]2CCC[C@H]2F)cccc1OCC ZINC000559358211 327194542 /nfs/dbraw/zinc/19/45/42/327194542.db2.gz GTDIVCFSGUSRDD-CABCVRRESA-N 0 1 295.398 3.854 20 0 CHADMN CCCC[C@H](C)[N@@H+](CCCC)Cc1nccc(C)n1 ZINC000559385622 327200150 /nfs/dbraw/zinc/20/01/50/327200150.db2.gz CAJINEFGIOEQNK-HNNXBMFYSA-N 0 1 263.429 3.966 20 0 CHADMN Cc1ccc(-c2ccc(C[N@@H+](C)C[C@@H]3CCOC3)o2)cc1 ZINC000093840273 327200513 /nfs/dbraw/zinc/20/05/13/327200513.db2.gz FFDOBJXAUIBCKF-HNNXBMFYSA-N 0 1 285.387 3.723 20 0 CHADMN Clc1ccc(CN2CCSC3(CCCCC3)C2)nc1 ZINC000554497615 327227194 /nfs/dbraw/zinc/22/71/94/327227194.db2.gz ZEZXEXVGOLWYLH-UHFFFAOYSA-N 0 1 296.867 3.987 20 0 CHADMN Clc1ccc(CN2CC[C@@H]2Cc2ccccc2)nc1 ZINC000554497854 327227206 /nfs/dbraw/zinc/22/72/06/327227206.db2.gz KIDRLGFJQMDQQO-MRXNPFEDSA-N 0 1 272.779 3.552 20 0 CHADMN CCCCC[N@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000584303242 327231496 /nfs/dbraw/zinc/23/14/96/327231496.db2.gz KMLSSOXVESXRBD-GJZGRUSLSA-N 0 1 267.413 3.532 20 0 CHADMN CCCCN(Cc1cn(C)nn1)[C@@H](CC)c1ccccc1 ZINC000536378181 327233955 /nfs/dbraw/zinc/23/39/55/327233955.db2.gz KTLQUHCOPGSEHW-KRWDZBQOSA-N 0 1 286.423 3.569 20 0 CHADMN CC(C)CN(C)Cc1ccccc1Br ZINC000042228510 327235676 /nfs/dbraw/zinc/23/56/76/327235676.db2.gz FWASIDCEDFDIKC-UHFFFAOYSA-N 0 1 256.187 3.537 20 0 CHADMN COc1ccccc1/C=C\CN(C)[C@H](C)c1ccco1 ZINC000255008507 327250793 /nfs/dbraw/zinc/25/07/93/327250793.db2.gz SBGDJXUXNJRIIS-DEBLGDTFSA-N 0 1 271.360 3.994 20 0 CHADMN CC1(C)CN(CCc2ccccc2Cl)[C@H]1[C@H]1CCCO1 ZINC000564395628 327252370 /nfs/dbraw/zinc/25/23/70/327252370.db2.gz GEVHFIKSZIUPHB-CVEARBPZSA-N 0 1 293.838 3.772 20 0 CHADMN CC1(C)CN(CCc2ccccc2Cl)[C@@H]1[C@H]1CCCO1 ZINC000564395631 327252411 /nfs/dbraw/zinc/25/24/11/327252411.db2.gz GEVHFIKSZIUPHB-HZPDHXFCSA-N 0 1 293.838 3.772 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)c1cnn(C)c1 ZINC000044497537 327268089 /nfs/dbraw/zinc/26/80/89/327268089.db2.gz OMIZWKIRDXINDH-WDEREUQCSA-N 0 1 297.324 3.851 20 0 CHADMN COc1ccc(Cl)cc1[C@@H](C)N[C@@H]1CCC[C@@H]1F ZINC000559914980 327270669 /nfs/dbraw/zinc/27/06/69/327270669.db2.gz AWWHISCVVQGOSZ-JIMOISOXSA-N 0 1 271.763 3.890 20 0 CHADMN CN(CCC(=O)c1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000048013128 327276362 /nfs/dbraw/zinc/27/63/62/327276362.db2.gz IMBGXEPYEJGCLH-UHFFFAOYSA-N 0 1 289.325 3.670 20 0 CHADMN c1coc([C@H]2N(Cc3ccc4nc[nH]c4c3)CC23CCC3)c1 ZINC000560153193 327287642 /nfs/dbraw/zinc/28/76/42/327287642.db2.gz WAXDVBLGUBHXHI-QGZVFWFLSA-N 0 1 293.370 3.883 20 0 CHADMN Cc1cccc2c1CC[C@H]2NCc1cnc(C(C)(C)C)nc1 ZINC000560255249 327293850 /nfs/dbraw/zinc/29/38/50/327293850.db2.gz KSSHHWXLDGKJBA-QGZVFWFLSA-N 0 1 295.430 3.860 20 0 CHADMN CC(C)c1nnc(-c2ccccc2NC(=O)CCC2CC2)[nH]1 ZINC000115342426 327300632 /nfs/dbraw/zinc/30/06/32/327300632.db2.gz XJJNSVKRJKPVTC-UHFFFAOYSA-N 0 1 298.390 3.724 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000262134075 327317505 /nfs/dbraw/zinc/31/75/05/327317505.db2.gz LVMRLDCMZURBNM-SQNIBIBYSA-N 0 1 299.414 3.782 20 0 CHADMN CC(C)c1nc(CN[C@H](C)C(C)(F)F)c2ccccn21 ZINC000566336969 327320985 /nfs/dbraw/zinc/32/09/85/327320985.db2.gz BHPQWSXUCNWWJL-LLVKDONJSA-N 0 1 281.350 3.591 20 0 CHADMN Cc1ccc(CN2CC(C)(C)[C@H]2c2ccncc2)cc1 ZINC000560551963 327323850 /nfs/dbraw/zinc/32/38/50/327323850.db2.gz UHZHBSHKGMMKRV-QGZVFWFLSA-N 0 1 266.388 3.973 20 0 CHADMN C[C@@H]1CCCC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000566362812 327337937 /nfs/dbraw/zinc/33/79/37/327337937.db2.gz XFGPHEHNQHVGGZ-LLVKDONJSA-N 0 1 281.783 3.660 20 0 CHADMN COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000262146506 327340092 /nfs/dbraw/zinc/34/00/92/327340092.db2.gz MVEIDRVOENWOJB-ZDUSSCGKSA-N 0 1 299.370 3.586 20 0 CHADMN C[C@H]1CC(CC[N@H+]2CCC[C@](C)(C(=O)[O-])C2)C[C@H](C)C1 ZINC000582127419 327346296 /nfs/dbraw/zinc/34/62/96/327346296.db2.gz UVAAQPQCNLVHCJ-CPUCHLNUSA-N 0 1 281.440 3.636 20 0 CHADMN COc1cc(C)nc(CN2CCc3ccccc3C2(C)C)c1 ZINC000560972892 327354735 /nfs/dbraw/zinc/35/47/35/327354735.db2.gz RBXQGXRYNWIJSN-UHFFFAOYSA-N 0 1 296.414 3.692 20 0 CHADMN COC(=O)c1cc(CN(C)[C@H]2C=CCCCCC2)oc1C ZINC000561009516 327357761 /nfs/dbraw/zinc/35/77/61/327357761.db2.gz OAAAHDUFOBBRNX-AWEZNQCLSA-N 0 1 291.391 3.695 20 0 CHADMN COc1cccc(C2(NCc3cc(C)ccc3F)CC2)c1 ZINC000150890555 327395019 /nfs/dbraw/zinc/39/50/19/327395019.db2.gz LSNCUPXGBRFMKV-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN COc1cc(C)ccc1CNCc1ccc(Cl)cc1 ZINC000151037481 327414873 /nfs/dbraw/zinc/41/48/73/327414873.db2.gz WBYQVXMBQRMQPH-UHFFFAOYSA-N 0 1 275.779 3.947 20 0 CHADMN Fc1ccccc1C=C1CCN(CCOC2CCC2)CC1 ZINC000561865423 327426782 /nfs/dbraw/zinc/42/67/82/327426782.db2.gz SHXHTEUFEBVTLL-UHFFFAOYSA-N 0 1 289.394 3.874 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@@H]2CCCc3ccc(O)cc32)cn1 ZINC000562280647 327463074 /nfs/dbraw/zinc/46/30/74/327463074.db2.gz JIQPQHHFAJBCLL-SCLBCKFNSA-N 0 1 299.418 3.898 20 0 CHADMN COc1ccccc1CNCc1cc(C)cc(Cl)c1 ZINC000395167462 328621792 /nfs/dbraw/zinc/62/17/92/328621792.db2.gz XSHKGLGQWHHUKH-UHFFFAOYSA-N 0 1 275.779 3.947 20 0 CHADMN C[C@H](NCc1ccc(CO)o1)c1ccc(F)c2ccccc21 ZINC000583587197 328624545 /nfs/dbraw/zinc/62/45/45/328624545.db2.gz ATGOVGUARWGUFE-LBPRGKRZSA-N 0 1 299.345 3.915 20 0 CHADMN CC1(C)CCC[C@H]1CNC(=O)c1ccc(O)c(Cl)c1 ZINC000389165144 328634442 /nfs/dbraw/zinc/63/44/42/328634442.db2.gz URCSURRUCVPHFU-NSHDSACASA-N 0 1 281.783 3.602 20 0 CHADMN COc1ccccc1/C=C\CN1CCC(C(F)F)CC1 ZINC000536678357 328680776 /nfs/dbraw/zinc/68/07/76/328680776.db2.gz UBYLBHGVWAVUDF-XQRVVYSFSA-N 0 1 281.346 3.686 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccncn1)c1ccc(C)cc1 ZINC000395816291 328761083 /nfs/dbraw/zinc/76/10/83/328761083.db2.gz NOWVGBRVLHEWNC-UKRRQHHQSA-N 0 1 255.365 3.587 20 0 CHADMN CCc1cc(CN[C@@H]2CCCCc3ccccc32)on1 ZINC000532516720 328785729 /nfs/dbraw/zinc/78/57/29/328785729.db2.gz LQMLNWLTHPCOTR-QGZVFWFLSA-N 0 1 270.376 3.794 20 0 CHADMN CCc1cc(CN[C@H]2CC[C@@H](C)c3ccccc32)on1 ZINC000532517039 328786021 /nfs/dbraw/zinc/78/60/21/328786021.db2.gz PZYMOSDEVKJNMS-PXAZEXFGSA-N 0 1 270.376 3.965 20 0 CHADMN CSc1ccc([C@H](C)N[C@H](C)c2ccncn2)cc1 ZINC000395962549 328791168 /nfs/dbraw/zinc/79/11/68/328791168.db2.gz JJCBBXKPYMABCL-NWDGAFQWSA-N 0 1 273.405 3.610 20 0 CHADMN Cc1nc2cc(NCc3ccc(Cl)o3)ccc2n1C ZINC000532742520 328807966 /nfs/dbraw/zinc/80/79/66/328807966.db2.gz WANFZXVOCRGROY-UHFFFAOYSA-N 0 1 275.739 3.740 20 0 CHADMN Cc1cc(CN[C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)no1 ZINC000526980392 328818788 /nfs/dbraw/zinc/81/87/88/328818788.db2.gz HGYSDWDMBBARKV-ADEWGFFLSA-N 0 1 296.823 3.980 20 0 CHADMN O=C(NC(C1CCC1)C1CCC1)c1ccc(O)c(Cl)c1 ZINC000325341655 328831967 /nfs/dbraw/zinc/83/19/67/328831967.db2.gz DVDRAMSONAIGNO-UHFFFAOYSA-N 0 1 293.794 3.744 20 0 CHADMN C[C@@H](NC1CCC(C(F)(F)F)CC1)C(C)(F)F ZINC000389474296 328848610 /nfs/dbraw/zinc/84/86/10/328848610.db2.gz WUKNOKKTBUWKIQ-AFPNSQJFSA-N 0 1 259.262 3.741 20 0 CHADMN Cc1nc(C2(NC[C@H]3CCC[C@H](C)C3)CCCCC2)no1 ZINC000507893211 332829117 /nfs/dbraw/zinc/82/91/17/332829117.db2.gz XEGHPPGFMQSAFD-ZFWWWQNUSA-N 0 1 291.439 3.953 20 0 CHADMN Cc1noc([C@@H](C)N[C@@H](C)CCc2ccc(Cl)s2)n1 ZINC000361610858 328926305 /nfs/dbraw/zinc/92/63/05/328926305.db2.gz OPGDQUTXPUXMPE-DTWKUNHWSA-N 0 1 299.827 3.765 20 0 CHADMN Cc1nocc1CN[C@@H](C)c1ccc(C2CC2)cc1 ZINC000418118599 328945897 /nfs/dbraw/zinc/94/58/97/328945897.db2.gz WGCVRYBKVMFIFK-NSHDSACASA-N 0 1 256.349 3.711 20 0 CHADMN CC(C)n1ncc2c1[C@@H](N[C@@H](C)c1ccccn1)CCC2 ZINC000375184362 329001759 /nfs/dbraw/zinc/00/17/59/329001759.db2.gz PSXLADTUYFNQJJ-BBRMVZONSA-N 0 1 284.407 3.587 20 0 CHADMN C[C@@H]1CCC[C@H](N(C)C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000582451795 329011834 /nfs/dbraw/zinc/01/18/34/329011834.db2.gz AIKAEMFEAPQHRI-HIFRSBDPSA-N 0 1 297.402 3.727 20 0 CHADMN C[C@@H](O)c1ncc(CN2CCC(C3CCCC3)CC2)s1 ZINC000377543480 329018347 /nfs/dbraw/zinc/01/83/47/329018347.db2.gz QYIJUQCNODRDMP-GFCCVEGCSA-N 0 1 294.464 3.599 20 0 CHADMN Cc1cc(CN[C@H]2c3ccccc3O[C@H]2C)cc(C)c1O ZINC000377921948 329034893 /nfs/dbraw/zinc/03/48/93/329034893.db2.gz TXNKDIACYJBAKZ-SUMWQHHRSA-N 0 1 283.371 3.621 20 0 CHADMN FC(F)(F)c1ccccc1C1=CCN([C@@H]2CCOC2)CC1 ZINC000378372017 329047866 /nfs/dbraw/zinc/04/78/66/329047866.db2.gz UBROFABOUWHMIL-CYBMUJFWSA-N 0 1 297.320 3.583 20 0 CHADMN C[C@@H](SCc1n[nH]c(C2CC2)n1)c1cc(F)ccc1F ZINC000193620224 329060106 /nfs/dbraw/zinc/06/01/06/329060106.db2.gz ANXSKDHYGDRUGE-MRVPVSSYSA-N 0 1 295.358 3.955 20 0 CHADMN C[C@H](SCc1n[nH]c(C2CC2)n1)c1cccc(F)c1 ZINC000193619123 329060234 /nfs/dbraw/zinc/06/02/34/329060234.db2.gz BSMGZPKWIHIWJN-VIFPVBQESA-N 0 1 277.368 3.816 20 0 CHADMN C[C@H](SCc1n[nH]c(C2CC2)n1)c1ccc(F)cc1F ZINC000193623179 329060249 /nfs/dbraw/zinc/06/02/49/329060249.db2.gz FAIFGMDAIGXFQP-QMMMGPOBSA-N 0 1 295.358 3.955 20 0 CHADMN C=Cn1cc(CN2C[C@@H](C)C[C@H]2c2ccccc2F)cn1 ZINC000193982809 329064508 /nfs/dbraw/zinc/06/45/08/329064508.db2.gz WMQUPXVTAUHTST-GUYCJALGSA-N 0 1 285.366 3.706 20 0 CHADMN C=Cn1cc(CN2C[C@H](C)C[C@@H]2c2cccc(F)c2)cn1 ZINC000193982835 329064632 /nfs/dbraw/zinc/06/46/32/329064632.db2.gz BFGYOWXKEQUWOI-CXAGYDPISA-N 0 1 285.366 3.706 20 0 CHADMN C=Cn1cc(CN2CC[C@@H](C)[C@H]2c2cccc(F)c2)cn1 ZINC000194019655 329064959 /nfs/dbraw/zinc/06/49/59/329064959.db2.gz AZKNFHMIKZYXHH-DYVFJYSZSA-N 0 1 285.366 3.706 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1nccn1C(F)F)C1CC1 ZINC000170931041 329072335 /nfs/dbraw/zinc/07/23/35/329072335.db2.gz WAYJQLBNKXZREY-MNOVXSKESA-N 0 1 271.355 3.677 20 0 CHADMN CCn1ccnc1CN1CCC[C@@H]1c1ccccc1C ZINC000171380151 329073927 /nfs/dbraw/zinc/07/39/27/329073927.db2.gz MZJRTGHTLNRLAK-MRXNPFEDSA-N 0 1 269.392 3.549 20 0 CHADMN COc1cccc(CN(Cc2ccco2)C2CCCC2)n1 ZINC000171859550 329080591 /nfs/dbraw/zinc/08/05/91/329080591.db2.gz IPVHKDFMLSERKC-UHFFFAOYSA-N 0 1 286.375 3.628 20 0 CHADMN Cc1cc(C[N@@H+]([C@@H](C)c2ccco2)C2CC2)oc1C(=O)[O-] ZINC000582612381 329116705 /nfs/dbraw/zinc/11/67/05/329116705.db2.gz RRCOVZHPBOKVDY-NSHDSACASA-N 0 1 289.331 3.605 20 0 CHADMN Cc1cc(C[N@H+]([C@@H](C)c2ccco2)C2CC2)oc1C(=O)[O-] ZINC000582612381 329116707 /nfs/dbraw/zinc/11/67/07/329116707.db2.gz RRCOVZHPBOKVDY-NSHDSACASA-N 0 1 289.331 3.605 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cncnc2C)c(OC(C)C)c1 ZINC000582676061 329123955 /nfs/dbraw/zinc/12/39/55/329123955.db2.gz CLNZJCXDEKKKBZ-AWEZNQCLSA-N 0 1 299.418 3.731 20 0 CHADMN Cc1nsc(C)c1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000582733874 329129820 /nfs/dbraw/zinc/12/98/20/329129820.db2.gz NNUVDOBZMSSENT-ZDUSSCGKSA-N 0 1 290.407 3.889 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CC2(CC2)c2ccccc21 ZINC000172409373 329135351 /nfs/dbraw/zinc/13/53/51/329135351.db2.gz ALVAWCTYIAJRRW-UHFFFAOYSA-N 0 1 299.757 3.738 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(C)Cc1nccn1C(C)C ZINC000172928554 329140821 /nfs/dbraw/zinc/14/08/21/329140821.db2.gz WFIIWIDIXAFFDB-KRWDZBQOSA-N 0 1 285.435 3.917 20 0 CHADMN COc1ccc2nc(SCc3nc(C)cs3)[nH]c2c1 ZINC000173317333 329145724 /nfs/dbraw/zinc/14/57/24/329145724.db2.gz WWYROGZZLVUONN-UHFFFAOYSA-N 0 1 291.401 3.629 20 0 CHADMN Cc1cnc(CN2CCC[C@H](c3ccccc3)CC2)o1 ZINC000173634915 329150254 /nfs/dbraw/zinc/15/02/54/329150254.db2.gz DZMFANADQUUDBC-INIZCTEOSA-N 0 1 270.376 3.753 20 0 CHADMN CCn1cccc1CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000582765766 329154748 /nfs/dbraw/zinc/15/47/48/329154748.db2.gz MXUVGQUFIUVINN-IUODEOHRSA-N 0 1 258.365 3.514 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1CCC(C)(C)C1 ZINC000174257706 329156106 /nfs/dbraw/zinc/15/61/06/329156106.db2.gz GBWOPMXGPSPHDG-JTQLQIEISA-N 0 1 277.393 3.591 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1cc(-c2ccco2)on1 ZINC000174476511 329159175 /nfs/dbraw/zinc/15/91/75/329159175.db2.gz AUIQKANOERRMPM-NWDGAFQWSA-N 0 1 260.337 3.555 20 0 CHADMN CO[C@H](C)c1nc(CN(C)[C@@H]2CCC[C@@H](C)C2)cs1 ZINC000175095764 329162679 /nfs/dbraw/zinc/16/26/79/329162679.db2.gz SIANJEIVHQHXMK-YRGRVCCFSA-N 0 1 282.453 3.861 20 0 CHADMN C[C@@H]1CCN(Cc2cccnc2)[C@@H]1c1cccc(F)c1 ZINC000175305938 329164527 /nfs/dbraw/zinc/16/45/27/329164527.db2.gz JFAUZNJUSGNZJU-DYVFJYSZSA-N 0 1 270.351 3.804 20 0 CHADMN CN(Cc1ccc[nH]1)Cc1csc2ccccc12 ZINC000175427749 329168417 /nfs/dbraw/zinc/16/84/17/329168417.db2.gz WYYPCYFJLLRCPA-UHFFFAOYSA-N 0 1 256.374 3.861 20 0 CHADMN Cc1ccccc1Cc1nnc(CN2CCC[C@H](C)CC2)o1 ZINC000178091267 329192516 /nfs/dbraw/zinc/19/25/16/329192516.db2.gz MWWOPKWWCLYQEW-AWEZNQCLSA-N 0 1 299.418 3.591 20 0 CHADMN Cc1[nH]ncc1CNC(=O)CC1CCC(C(C)(C)C)CC1 ZINC000178221630 329194668 /nfs/dbraw/zinc/19/46/68/329194668.db2.gz GGDYSTUTBOXAGI-UHFFFAOYSA-N 0 1 291.439 3.577 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1ccc([S@](C)=O)cc1 ZINC000178435685 329199975 /nfs/dbraw/zinc/19/99/75/329199975.db2.gz NPACZSAYGKBFGD-JLXBBBJOSA-N 0 1 299.439 3.569 20 0 CHADMN CSc1ccc(CN[C@H](C)c2cncc(F)c2)cc1 ZINC000178591805 329201074 /nfs/dbraw/zinc/20/10/74/329201074.db2.gz PLOCRJUKDYDIRD-LLVKDONJSA-N 0 1 276.380 3.793 20 0 CHADMN C[C@@H](NCCOC1CCCC1)c1nc2c(s1)CCCC2 ZINC000179414937 329205462 /nfs/dbraw/zinc/20/54/62/329205462.db2.gz KWGPKCQWDHPSOJ-GFCCVEGCSA-N 0 1 294.464 3.632 20 0 CHADMN C[C@H](NCCOC1CCCC1)c1nc2c(s1)CCCC2 ZINC000179414923 329205591 /nfs/dbraw/zinc/20/55/91/329205591.db2.gz KWGPKCQWDHPSOJ-LBPRGKRZSA-N 0 1 294.464 3.632 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)N(C)Cc1n[nH]c(C2CC2)n1 ZINC000180410722 329216108 /nfs/dbraw/zinc/21/61/08/329216108.db2.gz YXVQKNPXLRRUMA-JTQLQIEISA-N 0 1 290.798 3.529 20 0 CHADMN C[C@@H](NCc1cn(C)nc1-c1ccccc1)c1ccco1 ZINC000180421024 329216413 /nfs/dbraw/zinc/21/64/13/329216413.db2.gz AIRNOJMYNUTRDO-CYBMUJFWSA-N 0 1 281.359 3.531 20 0 CHADMN COC[C@H](C)N(C)Cc1ccc(Oc2ccccc2)o1 ZINC000180424120 329216828 /nfs/dbraw/zinc/21/68/28/329216828.db2.gz YISKSSPHGQTIBK-ZDUSSCGKSA-N 0 1 275.348 3.539 20 0 CHADMN Cc1cnc(CN(C)CCCCc2ccccc2)s1 ZINC000180438845 329217061 /nfs/dbraw/zinc/21/70/61/329217061.db2.gz PBFOUIXLTNPSJW-UHFFFAOYSA-N 0 1 274.433 3.906 20 0 CHADMN c1coc(CN(CCc2ccccc2)Cc2cccnc2)c1 ZINC000180464817 329217488 /nfs/dbraw/zinc/21/74/88/329217488.db2.gz RAXVOJVYLJOUFQ-UHFFFAOYSA-N 0 1 292.382 3.920 20 0 CHADMN C[C@@H](CNCc1cccc(Cl)c1Cl)[N@@H+](C)C1CC1 ZINC000222100052 329219986 /nfs/dbraw/zinc/21/99/86/329219986.db2.gz UITJACSQOOCKTO-JTQLQIEISA-N 0 1 287.234 3.566 20 0 CHADMN C[C@@H](NCc1ccc2ncccc2c1)c1cncc(F)c1 ZINC000181003721 329224943 /nfs/dbraw/zinc/22/49/43/329224943.db2.gz UAVZYWWBXJOBPY-GFCCVEGCSA-N 0 1 281.334 3.620 20 0 CHADMN C[C@@H](N[C@H]1CCCOc2c(F)cccc21)c1ccoc1 ZINC000181322082 329231523 /nfs/dbraw/zinc/23/15/23/329231523.db2.gz HFBKYBAANHWMPV-ABAIWWIYSA-N 0 1 275.323 3.983 20 0 CHADMN C[C@@H](N[C@H]1CCCOc2c(F)cccc21)c1cccnc1 ZINC000181326213 329231575 /nfs/dbraw/zinc/23/15/75/329231575.db2.gz QHSGBVZXAYKNEA-WBMJQRKESA-N 0 1 286.350 3.785 20 0 CHADMN CC(C)[C@@H]1CCCCN1Cc1nnc(C2CC2)n1C1CC1 ZINC000181350401 329231957 /nfs/dbraw/zinc/23/19/57/329231957.db2.gz SLPMDZDLCNUHFM-HNNXBMFYSA-N 0 1 288.439 3.501 20 0 CHADMN Cc1cc(C)cc(CN(Cc2ccccn2)C2CC2)c1 ZINC000181355926 329232289 /nfs/dbraw/zinc/23/22/89/329232289.db2.gz GEKWDKSNEIYZGB-UHFFFAOYSA-N 0 1 266.388 3.863 20 0 CHADMN Cc1oncc1CN1CCCCC[C@@H]1c1ccco1 ZINC000181711130 329236089 /nfs/dbraw/zinc/23/60/89/329236089.db2.gz GYTSKVWAGZNZAM-CQSZACIVSA-N 0 1 260.337 3.693 20 0 CHADMN Cc1oncc1CN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000181727800 329236164 /nfs/dbraw/zinc/23/61/64/329236164.db2.gz FGSUCDFBMKLJTD-BXUZGUMPSA-N 0 1 260.337 3.549 20 0 CHADMN Cc1cncc(CN[C@@H](C)c2cc(F)c(F)c(F)c2)c1 ZINC000181842548 329237963 /nfs/dbraw/zinc/23/79/63/329237963.db2.gz XNINLGGUVZHSBH-JTQLQIEISA-N 0 1 280.293 3.658 20 0 CHADMN CN(Cc1cccnc1)Cc1cccc(-c2ccccn2)c1 ZINC000182032651 329238752 /nfs/dbraw/zinc/23/87/52/329238752.db2.gz SUYJEDXMDONZDP-UHFFFAOYSA-N 0 1 289.382 3.776 20 0 CHADMN CC[C@@H]1C[C@H](C)CN1CC(=O)Nc1ccc(C)cc1Cl ZINC000467204991 329243210 /nfs/dbraw/zinc/24/32/10/329243210.db2.gz DXPDRXYWWCHMDL-QWHCGFSZSA-N 0 1 294.826 3.707 20 0 CHADMN OCc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccco2)cc1 ZINC000182799511 329244500 /nfs/dbraw/zinc/24/45/00/329244500.db2.gz WFLMYNSDEPVVDU-QGZVFWFLSA-N 0 1 285.387 3.889 20 0 CHADMN Cn1ccnc1[C@@H](NCc1ccc2ccccc2c1)C1CC1 ZINC000183258216 329248887 /nfs/dbraw/zinc/24/88/87/329248887.db2.gz DYSWOPVPASLGIS-SFHVURJKSA-N 0 1 291.398 3.814 20 0 CHADMN CC[C@@H](C)[C@@H](C)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000184238113 329258078 /nfs/dbraw/zinc/25/80/78/329258078.db2.gz LFZQDENWZPCBQY-MWLCHTKSSA-N 0 1 289.379 3.907 20 0 CHADMN Cc1ccc2nc(S[C@H](C)c3cnccn3)[nH]c2c1 ZINC000185154068 329266825 /nfs/dbraw/zinc/26/68/25/329266825.db2.gz POIDJYRTNISLLH-SNVBAGLBSA-N 0 1 270.361 3.515 20 0 CHADMN CC[C@@H](N[C@@H](C)c1n[nH]c(C)n1)c1ccc(Cl)cc1 ZINC000392332698 329270702 /nfs/dbraw/zinc/27/07/02/329270702.db2.gz DBYHNAMEZUEXDY-TVQRCGJNSA-N 0 1 278.787 3.568 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])oc1C ZINC000582910868 329287360 /nfs/dbraw/zinc/28/73/60/329287360.db2.gz WUJOCGOFLXVMLC-FZMZJTMJSA-N 0 1 279.380 3.687 20 0 CHADMN CC(C)(NCc1ccc2c(n1)CCC2)c1cccs1 ZINC000583070008 329310196 /nfs/dbraw/zinc/31/01/96/329310196.db2.gz NADGXQIBWVXQJT-UHFFFAOYSA-N 0 1 272.417 3.657 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2occc2C(=O)[O-])c1 ZINC000583089559 329314289 /nfs/dbraw/zinc/31/42/89/329314289.db2.gz IKRBMPFRFBDOLJ-HNNXBMFYSA-N 0 1 285.343 3.623 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cn3ccccc3n2)c(C)c1 ZINC000583092970 329314761 /nfs/dbraw/zinc/31/47/61/329314761.db2.gz CBKBJWUOKWYKQN-OAHLLOKOSA-N 0 1 279.387 3.802 20 0 CHADMN CC[C@@H]1[C@@H](C)CCN1Cc1csc(C(C)C)n1 ZINC000185601476 329327718 /nfs/dbraw/zinc/32/77/18/329327718.db2.gz DCFAEVIHWFLPBI-WCQYABFASA-N 0 1 252.427 3.887 20 0 CHADMN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(O)cc(F)c2)C1 ZINC000186262662 329340922 /nfs/dbraw/zinc/34/09/22/329340922.db2.gz IJXLDZRIUABMJH-ZFWWWQNUSA-N 0 1 283.412 3.637 20 0 CHADMN COc1ccc2nc(CN3CCC(C)CC3)sc2c1 ZINC000186561367 329345284 /nfs/dbraw/zinc/34/52/84/329345284.db2.gz SOYQMELTIUPDET-UHFFFAOYSA-N 0 1 276.405 3.537 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000392475399 329345835 /nfs/dbraw/zinc/34/58/35/329345835.db2.gz SEYWSPCURHNWHV-BDAKNGLRSA-N 0 1 298.312 3.544 20 0 CHADMN Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(C)nc2C)s1 ZINC000187004427 329351348 /nfs/dbraw/zinc/35/13/48/329351348.db2.gz XJIONLUVWWTTFJ-CYBMUJFWSA-N 0 1 289.448 3.965 20 0 CHADMN Cc1ccc(CN2CCCC[C@@H]2c2cccn2C)c(C)n1 ZINC000187107860 329353266 /nfs/dbraw/zinc/35/32/66/329353266.db2.gz GGCDQJBTPKHKPU-GOSISDBHSA-N 0 1 283.419 3.764 20 0 CHADMN Cc1ccc(CN2C[C@@H](C)[C@@H]2c2ccccc2)c(C)n1 ZINC000187121713 329353636 /nfs/dbraw/zinc/35/36/36/329353636.db2.gz GMNKHKOYONGREM-FZKQIMNGSA-N 0 1 266.388 3.891 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N1CC[C@]2(CCOC2)C1 ZINC000187154684 329354116 /nfs/dbraw/zinc/35/41/16/329354116.db2.gz HHAIFEROGHDWDY-NHYWBVRUSA-N 0 1 283.774 3.653 20 0 CHADMN COc1ccccc1C(C)(C)NCc1ccc(C)nc1C ZINC000187239239 329355847 /nfs/dbraw/zinc/35/58/47/329355847.db2.gz GCDGTPXKHBHXCB-UHFFFAOYSA-N 0 1 284.403 3.732 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(C)nc2C)cc1F ZINC000187407495 329357423 /nfs/dbraw/zinc/35/74/23/329357423.db2.gz HXCATLRPBWDDBP-GFCCVEGCSA-N 0 1 288.366 3.697 20 0 CHADMN CC(C)(C)c1ccccc1NCc1n[nH]c(C2CC2)n1 ZINC000187401722 329357434 /nfs/dbraw/zinc/35/74/34/329357434.db2.gz VZFHHVYRASRFJO-UHFFFAOYSA-N 0 1 270.380 3.592 20 0 CHADMN Cc1ncccc1CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000187594430 329359269 /nfs/dbraw/zinc/35/92/69/329359269.db2.gz VCLIPPBOHQCMKX-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN C[C@H](c1cccc(Br)c1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000187804422 329360944 /nfs/dbraw/zinc/36/09/44/329360944.db2.gz YFPWFZFWBMYXDN-RISCZKNCSA-N 0 1 298.224 3.621 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1cc(F)c(F)cc1F ZINC000231750968 329378697 /nfs/dbraw/zinc/37/86/97/329378697.db2.gz WKJFVBRLXGQRNT-ZCFIWIBFSA-N 0 1 271.204 3.534 20 0 CHADMN Cc1cccc2c1OCC[C@H]2N[C@@H](C)c1ccncc1 ZINC000189377711 329380491 /nfs/dbraw/zinc/38/04/91/329380491.db2.gz TZNPLKPXJLVQKQ-XJKSGUPXSA-N 0 1 268.360 3.564 20 0 CHADMN C[C@H]1C[C@H](c2cccnc2)N(Cc2cnn(C(C)(C)C)c2)C1 ZINC000190002009 329391760 /nfs/dbraw/zinc/39/17/60/329391760.db2.gz BPPVRGQYBLTZMD-WMLDXEAASA-N 0 1 298.434 3.616 20 0 CHADMN CC(C)CC[C@H]1CCC[C@H]1NCc1nc(C2CC2)no1 ZINC000191351589 329412913 /nfs/dbraw/zinc/41/29/13/329412913.db2.gz QSKNRHAKNYCQTC-TZMCWYRMSA-N 0 1 277.412 3.642 20 0 CHADMN CCc1ccc(CN[C@@H]2CCCc3c(O)cccc32)o1 ZINC000191654348 329416199 /nfs/dbraw/zinc/41/61/99/329416199.db2.gz SYXCSCQTQBEHED-MRXNPFEDSA-N 0 1 271.360 3.715 20 0 CHADMN C[C@@H](N[C@H](C)C1CCC1)c1nc(C2CCCCC2)no1 ZINC000192879938 329436884 /nfs/dbraw/zinc/43/68/84/329436884.db2.gz ATTZRRFBEPLOLI-VXGBXAGGSA-N 0 1 277.412 3.957 20 0 CHADMN Clc1ccc([C@H](NCc2ccno2)C2CC2)cc1 ZINC000219390461 329497671 /nfs/dbraw/zinc/49/76/71/329497671.db2.gz PUYJJGWJFQNEHK-CQSZACIVSA-N 0 1 262.740 3.569 20 0 CHADMN CCc1cccc(CNCc2cccc3c2OCCCO3)c1 ZINC000584534478 329515580 /nfs/dbraw/zinc/51/55/80/329515580.db2.gz QXYOQEJZIRRBOZ-UHFFFAOYSA-N 0 1 297.398 3.700 20 0 CHADMN Cc1cc(CN[C@@H]2c3ccc(F)cc3O[C@@H]2C)ccc1F ZINC000567271062 329563049 /nfs/dbraw/zinc/56/30/49/329563049.db2.gz ACOLGFMBXXNMNO-DIFFPNOSSA-N 0 1 289.325 3.885 20 0 CHADMN COc1cccc([C@@H](C)N[C@H](C)c2cncs2)c1 ZINC000129211317 329615768 /nfs/dbraw/zinc/61/57/68/329615768.db2.gz RXZITUIACRSQSK-GHMZBOCLSA-N 0 1 262.378 3.564 20 0 CHADMN Cc1cnc([C@@H](C)NC/C=C/c2ccccc2)s1 ZINC000134910568 329661574 /nfs/dbraw/zinc/66/15/74/329661574.db2.gz NWYHVZFXSXHZAL-YSKGHYERSA-N 0 1 258.390 3.816 20 0 CHADMN Fc1ccc(CNCc2ccsc2)cc1Cl ZINC000053155437 329662072 /nfs/dbraw/zinc/66/20/72/329662072.db2.gz OCVCGTPTESONEK-UHFFFAOYSA-N 0 1 255.745 3.830 20 0 CHADMN CC1(C)CCC[C@@H](CNCc2nccc(C(F)F)n2)C1 ZINC000564119443 329677311 /nfs/dbraw/zinc/67/73/11/329677311.db2.gz LHPQVPINJKQWSQ-LLVKDONJSA-N 0 1 283.366 3.720 20 0 CHADMN CC1(C)C[C@H]1NCc1nc(-c2ccccc2)cs1 ZINC000061681005 329681246 /nfs/dbraw/zinc/68/12/46/329681246.db2.gz ZWJZBIYUKNQIOU-CYBMUJFWSA-N 0 1 258.390 3.698 20 0 CHADMN CC[C@H](CN[C@H](CC)c1nc(C(F)(F)F)cs1)OC ZINC000419234454 329713750 /nfs/dbraw/zinc/71/37/50/329713750.db2.gz BUNOCMYPBXIZGM-RKDXNWHRSA-N 0 1 296.358 3.628 20 0 CHADMN CCc1ccc(-c2noc([C@@H](C)NCCCCF)n2)cc1 ZINC000509592617 332874864 /nfs/dbraw/zinc/87/48/64/332874864.db2.gz PCURMZUWBJRGSA-GFCCVEGCSA-N 0 1 291.370 3.699 20 0 CHADMN Cc1ccncc1CN[C@@H](CC(F)F)c1ccccc1 ZINC000420992633 329796239 /nfs/dbraw/zinc/79/62/39/329796239.db2.gz KZMJVUKIKFADKO-HNNXBMFYSA-N 0 1 276.330 3.876 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cccc(C3CC3)c1)CO2 ZINC000421349977 329815200 /nfs/dbraw/zinc/81/52/00/329815200.db2.gz YEWYNBGKUUGXAB-QGZVFWFLSA-N 0 1 283.346 3.926 20 0 CHADMN Cc1cc(CNCc2cc(Cl)ccc2F)cc(C)n1 ZINC000421373470 329815880 /nfs/dbraw/zinc/81/58/80/329815880.db2.gz GNVWPTOTTOMXEW-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN OC1(CCCNCc2c(Cl)cccc2Cl)CCC1 ZINC000421375034 329816327 /nfs/dbraw/zinc/81/63/27/329816327.db2.gz OLIYXVXPJQIFQC-UHFFFAOYSA-N 0 1 288.218 3.778 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](CCO)c1ccco1)[C@@H](C)C2 ZINC000248919012 329902542 /nfs/dbraw/zinc/90/25/42/329902542.db2.gz DRCIMVIKUPCEQX-FDQGKXFDSA-N 0 1 285.387 3.535 20 0 CHADMN Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)CCCCC(=O)[O-])cc1 ZINC000262237709 330002291 /nfs/dbraw/zinc/00/22/91/330002291.db2.gz NJCNDDDVZLQKHV-IAGOWNOFSA-N 0 1 289.419 3.818 20 0 CHADMN Cc1ccccc1Cc1noc(CN[C@H]2CCCC[C@H]2C)n1 ZINC000162393910 330016429 /nfs/dbraw/zinc/01/64/29/330016429.db2.gz ATVGSLYOTCZLLX-ZBFHGGJFSA-N 0 1 299.418 3.637 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263130500 330044985 /nfs/dbraw/zinc/04/49/85/330044985.db2.gz CWVVHHPTDVLANG-CHWSQXEVSA-N 0 1 295.810 3.642 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263130502 330045026 /nfs/dbraw/zinc/04/50/26/330045026.db2.gz CWVVHHPTDVLANG-OLZOCXBDSA-N 0 1 295.810 3.642 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263375641 330053186 /nfs/dbraw/zinc/05/31/86/330053186.db2.gz BTNMHNBPXLUJSU-KDOFPFPSSA-N 0 1 295.382 3.763 20 0 CHADMN O=C([O-])c1cccc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000263413880 330054728 /nfs/dbraw/zinc/05/47/28/330054728.db2.gz MMJHBFLINHMURW-MRXNPFEDSA-N 0 1 297.354 3.705 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000263413880 330054729 /nfs/dbraw/zinc/05/47/29/330054729.db2.gz MMJHBFLINHMURW-MRXNPFEDSA-N 0 1 297.354 3.705 20 0 CHADMN Cc1ccccc1-c1ccccc1C[N@H+](C)[C@@H](C)C(=O)[O-] ZINC000263428454 330055270 /nfs/dbraw/zinc/05/52/70/330055270.db2.gz RISHZKWULXSBJJ-AWEZNQCLSA-N 0 1 283.371 3.567 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000263431062 330055570 /nfs/dbraw/zinc/05/55/70/330055570.db2.gz SCQVIHCQNUPRMH-ZBFHGGJFSA-N 0 1 275.392 3.785 20 0 CHADMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CC1 ZINC000263444599 330056173 /nfs/dbraw/zinc/05/61/73/330056173.db2.gz FOMBCGZKMVDTLM-CHWSQXEVSA-N 0 1 275.392 3.784 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000263452610 330056492 /nfs/dbraw/zinc/05/64/92/330056492.db2.gz GPEBRIIZQRCFKC-GOSISDBHSA-N 0 1 295.382 3.592 20 0 CHADMN Cc1cc(C)cc(-c2ccc(C[N@H+](C)[C@@H](C)C(=O)[O-])cc2)c1 ZINC000263451629 330056499 /nfs/dbraw/zinc/05/64/99/330056499.db2.gz ZWECVFVEWBUAJK-HNNXBMFYSA-N 0 1 297.398 3.875 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@H]2Cc2ccccc2)c1 ZINC000263452611 330056506 /nfs/dbraw/zinc/05/65/06/330056506.db2.gz GPEBRIIZQRCFKC-SFHVURJKSA-N 0 1 295.382 3.592 20 0 CHADMN COc1ccc([C@H](C)[N@@H+](C)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000263459360 330057049 /nfs/dbraw/zinc/05/70/49/330057049.db2.gz IIAIEOYLLCDQMF-ZDUSSCGKSA-N 0 1 299.370 3.586 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263499344 330057914 /nfs/dbraw/zinc/05/79/14/330057914.db2.gz UYHWVBIMVDVEJT-KSSFIOAISA-N 0 1 295.382 3.763 20 0 CHADMN Cc1ccccc1-c1ccccc1C[N@H+](C)C[C@@H](C)C(=O)[O-] ZINC000263504725 330058274 /nfs/dbraw/zinc/05/82/74/330058274.db2.gz LRCDZCKSOQLJHL-OAHLLOKOSA-N 0 1 297.398 3.815 20 0 CHADMN Cc1ccccc1-c1cccc(C[N@H+](CC(=O)[O-])C(C)C)c1 ZINC000263530974 330059142 /nfs/dbraw/zinc/05/91/42/330059142.db2.gz WMMYHKNCEXEFIY-UHFFFAOYSA-N 0 1 297.398 3.957 20 0 CHADMN Cc1ccc(-c2ccc(C[N@H+]3CC[C@@](C)(C(=O)[O-])C3)o2)cc1 ZINC000263532225 330059170 /nfs/dbraw/zinc/05/91/70/330059170.db2.gz XEVCGSBUHIJDMW-GOSISDBHSA-N 0 1 299.370 3.552 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263575868 330059664 /nfs/dbraw/zinc/05/96/64/330059664.db2.gz PQVHZNYQFZMDOB-KSSFIOAISA-N 0 1 295.382 3.763 20 0 CHADMN Cc1ccoc1CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000162542547 330066688 /nfs/dbraw/zinc/06/66/88/330066688.db2.gz WOOZFSYBQQNTBS-HNNXBMFYSA-N 0 1 299.370 3.696 20 0 CHADMN CC[C@H](NCc1nc(C(C)C)n2ccccc12)C(F)(F)F ZINC000572412325 330067382 /nfs/dbraw/zinc/06/73/82/330067382.db2.gz CTLRJZKDSXZHRE-ZDUSSCGKSA-N 0 1 299.340 3.888 20 0 CHADMN C[C@@H]1CCC[C@@H](C[NH2+]Cc2c(F)ccc([O-])c2F)C1 ZINC000510125397 332893644 /nfs/dbraw/zinc/89/36/44/332893644.db2.gz XUHJNRUZEFYMQK-GHMZBOCLSA-N 0 1 269.335 3.586 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccncc1Cl)c1ccncc1 ZINC000421837392 330092311 /nfs/dbraw/zinc/09/23/11/330092311.db2.gz SLVVKOVXXIGCEV-IAQYHMDHSA-N 0 1 275.783 3.932 20 0 CHADMN CCC[C@@H](NCc1cc(C)nc(C)c1)c1ccccn1 ZINC000421848133 330095567 /nfs/dbraw/zinc/09/55/67/330095567.db2.gz ACBPQHOVVJUUGL-MRXNPFEDSA-N 0 1 269.392 3.724 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@@H](CC(F)F)c1ccccc1 ZINC000421880114 330102016 /nfs/dbraw/zinc/10/20/16/330102016.db2.gz QACYXOGNMFTADI-ABAIWWIYSA-N 0 1 293.361 3.776 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cc(C)nc(C)c1 ZINC000421892804 330104643 /nfs/dbraw/zinc/10/46/43/330104643.db2.gz WRDWBBUKDBRRMU-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421914177 330107141 /nfs/dbraw/zinc/10/71/41/330107141.db2.gz STKRNCAUUFBFPV-IWSPIJDZSA-N 0 1 283.730 3.559 20 0 CHADMN CCOc1cccc(CN2CCC[C@H]2c2cccs2)n1 ZINC000162699503 330108433 /nfs/dbraw/zinc/10/84/33/330108433.db2.gz JKLFYUILANZWGQ-AWEZNQCLSA-N 0 1 288.416 3.879 20 0 CHADMN c1cn(-c2ccccc2)c(CN(C2CC2)C2CCCC2)n1 ZINC000191224715 330130539 /nfs/dbraw/zinc/13/05/39/330130539.db2.gz LHAGHWXLCLROGY-UHFFFAOYSA-N 0 1 281.403 3.779 20 0 CHADMN CCCCC[C@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000422583938 330149540 /nfs/dbraw/zinc/14/95/40/330149540.db2.gz DFYMNYIMZCUMBI-INIZCTEOSA-N 0 1 275.392 3.930 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000422639370 330150633 /nfs/dbraw/zinc/15/06/33/330150633.db2.gz WQBKDZCWEXTPKT-SOUVJXGZSA-N 0 1 269.429 3.778 20 0 CHADMN C[C@@H]1CCC[C@H](CN[C@H](c2nccn2C)c2ccccc2)C1 ZINC000527116051 330222977 /nfs/dbraw/zinc/22/29/77/330222977.db2.gz JXUXBTRSDPNVIO-RYRKJORJSA-N 0 1 297.446 3.925 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000536830827 330228968 /nfs/dbraw/zinc/22/89/68/330228968.db2.gz FBGYXQNASUKCSI-ZIAGYGMSSA-N 0 1 286.423 3.957 20 0 CHADMN Cc1ccccc1Cc1noc([C@H](C)N2[C@@H](C)CC[C@@H]2C)n1 ZINC000527203311 330235253 /nfs/dbraw/zinc/23/52/53/330235253.db2.gz FLDAEKKNAJDDJR-KKUMJFAQSA-N 0 1 299.418 3.903 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2F)N(CC2(F)CC2)C1 ZINC000527219734 330237483 /nfs/dbraw/zinc/23/74/83/330237483.db2.gz AILQUXVQGOWXQI-RISCZKNCSA-N 0 1 251.320 3.711 20 0 CHADMN CC[C@H](O)[C@@H]1CCCCN1Cc1cccc(Cl)c1F ZINC000527213387 330237626 /nfs/dbraw/zinc/23/76/26/330237626.db2.gz IMEYNWFIWXLPDQ-KBPBESRZSA-N 0 1 285.790 3.605 20 0 CHADMN CC[C@H](NCc1cnc(C)cc1C)c1ccccc1OC ZINC000397068193 330237986 /nfs/dbraw/zinc/23/79/86/330237986.db2.gz WQOWJPLAIIOKLE-KRWDZBQOSA-N 0 1 284.403 3.948 20 0 CHADMN C[C@H](NCc1ccc(F)cc1F)c1ccc2c(c1)OCO2 ZINC000035256627 330244809 /nfs/dbraw/zinc/24/48/09/330244809.db2.gz VCUXKVNNOJSCKO-JTQLQIEISA-N 0 1 291.297 3.544 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)NCc1cccnc1 ZINC000036325376 330254160 /nfs/dbraw/zinc/25/41/60/330254160.db2.gz MZVNQKSUVOBOQN-CQSZACIVSA-N 0 1 270.376 3.720 20 0 CHADMN FC1(C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000527510165 330255155 /nfs/dbraw/zinc/25/51/55/330255155.db2.gz WLOFXCFQQLMCIG-UHFFFAOYSA-N 0 1 265.759 3.931 20 0 CHADMN FC1(CN2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000527510165 330255157 /nfs/dbraw/zinc/25/51/57/330255157.db2.gz WLOFXCFQQLMCIG-UHFFFAOYSA-N 0 1 265.759 3.931 20 0 CHADMN C[C@H]1SCCN(CC2(F)CC2)[C@@H]1c1ccccc1 ZINC000527510719 330255398 /nfs/dbraw/zinc/25/53/98/330255398.db2.gz OJEOXJSEWJJNCO-OCCSQVGLSA-N 0 1 265.397 3.667 20 0 CHADMN C[C@@]1(c2ccccc2)CCN(Cc2ncccc2Cl)C1 ZINC000528399657 330256135 /nfs/dbraw/zinc/25/61/35/330256135.db2.gz IZKJGHGLAOJCMN-QGZVFWFLSA-N 0 1 286.806 3.899 20 0 CHADMN Cc1cc(CN2CCC[C@H](CC(F)(F)F)C2)ccn1 ZINC000527540303 330260735 /nfs/dbraw/zinc/26/07/35/330260735.db2.gz QKYMAUXEDONEEX-CYBMUJFWSA-N 0 1 272.314 3.554 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1ccnc(C)c1)[C@@H]2C ZINC000527539190 330261044 /nfs/dbraw/zinc/26/10/44/330261044.db2.gz PPEGISQRYBRDQE-LSDHHAIUSA-N 0 1 296.414 3.906 20 0 CHADMN Cc1cc(CN2CC[C@](F)(c3ccccc3C)C2)ccn1 ZINC000527540646 330261360 /nfs/dbraw/zinc/26/13/60/330261360.db2.gz SDTVXYCMEGFMTC-GOSISDBHSA-N 0 1 284.378 3.769 20 0 CHADMN COC[C@@H](N[C@@H](C)c1cccs1)c1ccc(F)cc1 ZINC000536869751 330265235 /nfs/dbraw/zinc/26/52/35/330265235.db2.gz MHVDGYRWUKFORS-SMDDNHRTSA-N 0 1 279.380 3.926 20 0 CHADMN COc1ccccc1[C@@H](CO)N[C@H](C)c1cccc(C)c1C ZINC000536871017 330266160 /nfs/dbraw/zinc/26/61/60/330266160.db2.gz OPZHMIMUEXSUSN-CRAIPNDOSA-N 0 1 299.414 3.696 20 0 CHADMN Cc1cccc2c1CC[C@H]2NCc1ccncc1Cl ZINC000527656317 330273062 /nfs/dbraw/zinc/27/30/62/330273062.db2.gz YCNZWYALMBVMMB-MRXNPFEDSA-N 0 1 272.779 3.821 20 0 CHADMN C[C@H](N[C@@H](C)[C@@H]1CC12CC2)c1noc(-c2ccccc2)n1 ZINC000527865008 330285504 /nfs/dbraw/zinc/28/55/04/330285504.db2.gz FVLICBNKVQTNSC-OBJOEFQTSA-N 0 1 283.375 3.576 20 0 CHADMN CO[C@@H](CN[C@H](C)c1nc(C)cs1)c1ccc(F)cc1 ZINC000527867937 330285827 /nfs/dbraw/zinc/28/58/27/330285827.db2.gz KKCHUMISLJGCGH-RISCZKNCSA-N 0 1 294.395 3.629 20 0 CHADMN CO[C@H](CN[C@@H](C)c1nc(C)cs1)c1ccc(F)cc1 ZINC000527867940 330285850 /nfs/dbraw/zinc/28/58/50/330285850.db2.gz KKCHUMISLJGCGH-SMDDNHRTSA-N 0 1 294.395 3.629 20 0 CHADMN CC[C@@H](NCc1ccc(CO)o1)c1cc(C)ccc1C ZINC000527821340 330286298 /nfs/dbraw/zinc/28/62/98/330286298.db2.gz NGOKHPRBSVPEIJ-QGZVFWFLSA-N 0 1 273.376 3.630 20 0 CHADMN CC[C@@H](N[C@H](C(N)=O)c1ccccc1)c1cc(C)ccc1C ZINC000527843286 330287487 /nfs/dbraw/zinc/28/74/87/330287487.db2.gz BVVSLDBQSPEJTJ-MSOLQXFVSA-N 0 1 296.414 3.571 20 0 CHADMN CC[C@H](NCc1cc(C)no1)c1cc(C)ccc1C ZINC000527858030 330288971 /nfs/dbraw/zinc/28/89/71/330288971.db2.gz HAMDBYIYXIZNBA-INIZCTEOSA-N 0 1 258.365 3.841 20 0 CHADMN CC[C@@H](NCc1cc(C)no1)c1cc(C)ccc1C ZINC000527858032 330289063 /nfs/dbraw/zinc/28/90/63/330289063.db2.gz HAMDBYIYXIZNBA-MRXNPFEDSA-N 0 1 258.365 3.841 20 0 CHADMN COCCC1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000527937912 330293703 /nfs/dbraw/zinc/29/37/03/330293703.db2.gz WFSUIQOBJDGWIW-LBPRGKRZSA-N 0 1 283.362 3.774 20 0 CHADMN COc1cc(Cl)ccc1[C@@H](C)NCc1cccnc1C ZINC000527988659 330298990 /nfs/dbraw/zinc/29/89/90/330298990.db2.gz VAMYEAVZXCJXLZ-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@@H](N[C@H](c1ccccn1)C1CCC1)c1ccoc1 ZINC000527962412 330300804 /nfs/dbraw/zinc/30/08/04/330300804.db2.gz DNLCXTUMTZMWPL-WBMJQRKESA-N 0 1 256.349 3.867 20 0 CHADMN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1ccccc1OC(F)F ZINC000527974206 330301829 /nfs/dbraw/zinc/30/18/29/330301829.db2.gz MIKFJXRQDRMVSE-YVLXSGLVSA-N 0 1 285.334 3.506 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cs1 ZINC000528010546 330303897 /nfs/dbraw/zinc/30/38/97/330303897.db2.gz ZHPMYNYEARFWNX-JNLQPACOSA-N 0 1 282.453 3.729 20 0 CHADMN C[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc([O-])c1Cl ZINC000328065420 330307555 /nfs/dbraw/zinc/30/75/55/330307555.db2.gz AUMRUPQEKKMPIC-GHMZBOCLSA-N 0 1 253.773 3.571 20 0 CHADMN Cc1cc(F)c(CNC[C@@H](C)C(F)(F)F)c(F)c1 ZINC000424163475 330308064 /nfs/dbraw/zinc/30/80/64/330308064.db2.gz DWFURGQKCAQWKS-MRVPVSSYSA-N 0 1 267.241 3.561 20 0 CHADMN COC[C@@H](N[C@@H](C)c1ccccc1)c1ccc(F)cc1 ZINC000536875735 330309726 /nfs/dbraw/zinc/30/97/26/330309726.db2.gz JQNYBKWBDCBCBD-SUMWQHHRSA-N 0 1 273.351 3.864 20 0 CHADMN COc1ccc(Cl)cc1[C@@H](C)NCCC(F)(F)F ZINC000536878469 330312275 /nfs/dbraw/zinc/31/22/75/330312275.db2.gz POCUEJHMJYORAK-MRVPVSSYSA-N 0 1 281.705 3.952 20 0 CHADMN Cc1cc(Cc2nc(-c3ccccc3CC(C)C)no2)[nH]n1 ZINC000528224612 330315849 /nfs/dbraw/zinc/31/58/49/330315849.db2.gz OTFGCDYOHJVRND-UHFFFAOYSA-N 0 1 296.374 3.557 20 0 CHADMN CC[C@@H]1CCCN(Cc2cccnc2C(F)(F)F)C1 ZINC000528345061 330321092 /nfs/dbraw/zinc/32/10/92/330321092.db2.gz NRYBUVALVPKGCM-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN CC(C)(C)c1nc(CN[C@@H]2C[C@H]2C2CCC2)cs1 ZINC000424187704 330321178 /nfs/dbraw/zinc/32/11/78/330321178.db2.gz BEDLOVMWWUKILJ-QWHCGFSZSA-N 0 1 264.438 3.719 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N(C)CC(C)(C)C ZINC000532957074 330322983 /nfs/dbraw/zinc/32/29/83/330322983.db2.gz AMMVYHMBNDERAM-SNVBAGLBSA-N 0 1 279.409 3.837 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H](C)[C@@H]1C ZINC000532971503 330323676 /nfs/dbraw/zinc/32/36/76/330323676.db2.gz JONCEEVILKBAHN-AAEUAGOBSA-N 0 1 294.826 3.707 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)Cc2cc(C(C)(C)C)on2)C1 ZINC000580485169 330325412 /nfs/dbraw/zinc/32/54/12/330325412.db2.gz RWUIFWCOOMXLPV-GXTWGEPZSA-N 0 1 264.413 3.983 20 0 CHADMN C[C@H](N[C@@H]1CC[C@H]1O)c1ccc(Cl)c(Cl)c1Cl ZINC000424314569 330339120 /nfs/dbraw/zinc/33/91/20/330339120.db2.gz KXJXSOHTTRMRMK-WQGWLQIFSA-N 0 1 294.609 3.821 20 0 CHADMN Cc1nc(N2CCCC[C@H]2C)cc(N2CCCC[C@H]2C)n1 ZINC000533101096 330335658 /nfs/dbraw/zinc/33/56/58/330335658.db2.gz FGWLOOVVUUUKNM-ZIAGYGMSSA-N 0 1 288.439 3.543 20 0 CHADMN CC(C)CCOCCN[C@@H](C)c1ccc(F)cc1F ZINC000045093852 330338469 /nfs/dbraw/zinc/33/84/69/330338469.db2.gz QIDWUQOOHUTRLS-LBPRGKRZSA-N 0 1 271.351 3.678 20 0 CHADMN C[C@@H]1CCC[C@@H](Cc2nc(C3(N)CCCCC3)no2)C1 ZINC000424340725 330344085 /nfs/dbraw/zinc/34/40/85/330344085.db2.gz HGJSKWDTMCFRNO-CHWSQXEVSA-N 0 1 277.412 3.557 20 0 CHADMN COc1ccc([C@H](C)NCc2ccnc(C)c2)c(Cl)c1 ZINC000424342018 330344200 /nfs/dbraw/zinc/34/42/00/330344200.db2.gz BZGVIBMQBJFUMR-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CC(C)CCCCc1nc(C2(N)CCCCC2)no1 ZINC000424346626 330344786 /nfs/dbraw/zinc/34/47/86/330344786.db2.gz JMAGCQKYWZAGOR-UHFFFAOYSA-N 0 1 265.401 3.557 20 0 CHADMN C[C@H](C[N@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000424417945 330350787 /nfs/dbraw/zinc/35/07/87/330350787.db2.gz MQXSNVWLGLRMLS-JMSVASOKSA-N 0 1 295.810 3.629 20 0 CHADMN CCCC1CCC(C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])CC1 ZINC000424420432 330351008 /nfs/dbraw/zinc/35/10/08/330351008.db2.gz QNDVVKLHLYIDTM-LMPOIIKSSA-N 0 1 281.440 3.778 20 0 CHADMN CCCC1CCC(C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])CC1 ZINC000424420435 330351108 /nfs/dbraw/zinc/35/11/08/330351108.db2.gz QNDVVKLHLYIDTM-PRLABOORSA-N 0 1 281.440 3.778 20 0 CHADMN Cc1ccsc1CNCc1ccc(Br)cn1 ZINC000082707528 330355539 /nfs/dbraw/zinc/35/55/39/330355539.db2.gz KEQAWADORIKOHL-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN C[C@@H](N(C)Cc1nc(-c2ccsc2)no1)C(C)(C)C ZINC000533250116 330355379 /nfs/dbraw/zinc/35/53/79/330355379.db2.gz VJXJHUSDRCNWLG-SNVBAGLBSA-N 0 1 279.409 3.665 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N(CC(=O)Nc2ccccc2Cl)C1 ZINC000533292572 330356164 /nfs/dbraw/zinc/35/61/64/330356164.db2.gz AGTLHRXGDAFUKO-CHWSQXEVSA-N 0 1 294.826 3.789 20 0 CHADMN c1coc(-c2nc(CN3CCCCCC3)cs2)c1 ZINC000055472367 330365817 /nfs/dbraw/zinc/36/58/17/330365817.db2.gz UGAABKOQZMILHV-UHFFFAOYSA-N 0 1 262.378 3.779 20 0 CHADMN C[C@H](NCc1cccc(N(C)C)c1)c1cc(F)ccc1F ZINC000119847982 330380483 /nfs/dbraw/zinc/38/04/83/330380483.db2.gz MLFLWNQFXNNGTC-LBPRGKRZSA-N 0 1 290.357 3.882 20 0 CHADMN C[C@@H](NCc1cccc(N(C)C)c1)c1cc(F)ccc1F ZINC000119848158 330380508 /nfs/dbraw/zinc/38/05/08/330380508.db2.gz MLFLWNQFXNNGTC-GFCCVEGCSA-N 0 1 290.357 3.882 20 0 CHADMN C[C@@H](NCc1ccoc1)c1cccc(Br)c1 ZINC000062103510 330387197 /nfs/dbraw/zinc/38/71/97/330387197.db2.gz OEVJAPUBNUJNLD-SNVBAGLBSA-N 0 1 280.165 3.893 20 0 CHADMN CCN(Cc1cn2ccccc2n1)Cc1ccccc1C ZINC000058506731 330389052 /nfs/dbraw/zinc/38/90/52/330389052.db2.gz WZAWDHZMXOFRAH-UHFFFAOYSA-N 0 1 279.387 3.665 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1N(C)Cc1csc(NC(C)=O)n1 ZINC000120737299 330390840 /nfs/dbraw/zinc/39/08/40/330390840.db2.gz ZRMBKLANMFVPGZ-OCCSQVGLSA-N 0 1 295.452 3.502 20 0 CHADMN CCCC[N@@H+](C)CCNC(=O)Nc1cc(C)ccc1Cl ZINC000120795697 330392129 /nfs/dbraw/zinc/39/21/29/330392129.db2.gz ZFHLHVOLUICJAW-UHFFFAOYSA-N 0 1 297.830 3.502 20 0 CHADMN C[C@@H](CC(F)(F)F)NCc1ccccc1Br ZINC000120955381 330393585 /nfs/dbraw/zinc/39/35/85/330393585.db2.gz YIXYQDXQZCDDIU-QMMMGPOBSA-N 0 1 296.130 3.880 20 0 CHADMN C[C@H](NC(c1ccccc1)c1ccccc1)c1cnn(C)c1 ZINC000121178552 330397108 /nfs/dbraw/zinc/39/71/08/330397108.db2.gz AFYYZTPCOVUOEQ-HNNXBMFYSA-N 0 1 291.398 3.860 20 0 CHADMN c1coc([C@@H]2CN([C@@H]3CCCc4ccccc43)CCO2)c1 ZINC000121188573 330397458 /nfs/dbraw/zinc/39/74/58/330397458.db2.gz PKQQGNXQDBZKSO-AEFFLSMTSA-N 0 1 283.371 3.731 20 0 CHADMN CC[C@H](CSC)N(C)Cc1nc2ccccc2s1 ZINC000091099928 330398878 /nfs/dbraw/zinc/39/88/78/330398878.db2.gz XJEJRKDWWQDPOA-LLVKDONJSA-N 0 1 280.462 3.870 20 0 CHADMN Fc1cccc(CN[C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000098173064 330456692 /nfs/dbraw/zinc/45/66/92/330456692.db2.gz JMRJYKHQAAWXLP-MRXNPFEDSA-N 0 1 289.325 3.968 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000514988150 330468359 /nfs/dbraw/zinc/46/83/59/330468359.db2.gz SFIWQUQUKUBQKN-HNNXBMFYSA-N 0 1 297.333 3.586 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2oc3ccccc3c2C)n1C ZINC000516492534 330493915 /nfs/dbraw/zinc/49/39/15/330493915.db2.gz MQUSLCCSKZHLDG-LBPRGKRZSA-N 0 1 283.375 3.634 20 0 CHADMN C[C@H](CNCc1nc2ccc(F)cc2s1)C(F)(F)F ZINC000428878136 330534042 /nfs/dbraw/zinc/53/40/42/330534042.db2.gz YMXQNHXTHWLOBD-SSDOTTSWSA-N 0 1 292.301 3.723 20 0 CHADMN CCCCc1nc(CN[C@@H]2CCCC[C@@H]2OC)cs1 ZINC000429516293 330548105 /nfs/dbraw/zinc/54/81/05/330548105.db2.gz CZMPRDPHPLZSNA-KGLIPLIRSA-N 0 1 282.453 3.533 20 0 CHADMN C[C@@H](NCc1cccnc1N)c1ccc(Cl)c(Cl)c1 ZINC000432361688 330598225 /nfs/dbraw/zinc/59/82/25/330598225.db2.gz FMLVYARWMMNTAC-SECBINFHSA-N 0 1 296.201 3.821 20 0 CHADMN c1cc(-c2ccc(CNCc3ccc(C4CC4)cc3)o2)n[nH]1 ZINC000433334132 330626541 /nfs/dbraw/zinc/62/65/41/330626541.db2.gz GOOJYEVWLZYTKU-UHFFFAOYSA-N 0 1 293.370 3.837 20 0 CHADMN C[C@@H]1CCC[C@H]1NC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436482200 330678351 /nfs/dbraw/zinc/67/83/51/330678351.db2.gz HSANBUAECCASDD-GMSGAONNSA-N 0 1 288.174 3.617 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)c2ccc(CC)cc2)c1 ZINC000436651892 330682253 /nfs/dbraw/zinc/68/22/53/330682253.db2.gz YSSKNPQFUOMESX-UHFFFAOYSA-N 0 1 297.354 3.800 20 0 CHADMN O=C(Nc1cccc2ccc(O)cc21)c1ccc(F)cc1O ZINC000436737449 330683871 /nfs/dbraw/zinc/68/38/71/330683871.db2.gz JTEDKFAWYYRKKL-UHFFFAOYSA-N 0 1 297.285 3.642 20 0 CHADMN CC[C@H](N[C@@H](CO)c1ccsc1)c1cccc(F)c1 ZINC000437024973 330691386 /nfs/dbraw/zinc/69/13/86/330691386.db2.gz CVEOKEADHULODC-GJZGRUSLSA-N 0 1 279.380 3.662 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H]1CCc2c1cccc2F ZINC000437075612 330692338 /nfs/dbraw/zinc/69/23/38/330692338.db2.gz JLHRKZXVQYZVJS-BZNIZROVSA-N 0 1 286.350 3.567 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@H](C)c1ccc2c(c1)COC2 ZINC000437102060 330693588 /nfs/dbraw/zinc/69/35/88/330693588.db2.gz VQFIECQJJMLLNN-CHWSQXEVSA-N 0 1 298.386 3.532 20 0 CHADMN FCCNCc1cccc(OCc2ccccc2Cl)c1 ZINC000437262847 330696274 /nfs/dbraw/zinc/69/62/74/330696274.db2.gz NIUKYTCOHVOGAY-UHFFFAOYSA-N 0 1 293.769 3.978 20 0 CHADMN CC(C)CC(C)(C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000439873229 330744297 /nfs/dbraw/zinc/74/42/97/330744297.db2.gz OGKRFRMZTMVNHW-AWEZNQCLSA-N 0 1 296.480 3.539 20 0 CHADMN CO[C@H]1C[C@@H](Nc2ccnc3cc(F)ccc32)C1(C)C ZINC000440209201 330746617 /nfs/dbraw/zinc/74/66/17/330746617.db2.gz BNCNSMNNZCYLTR-CABCVRRESA-N 0 1 274.339 3.599 20 0 CHADMN CC[C@H](F)CN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000440532455 330750204 /nfs/dbraw/zinc/75/02/04/330750204.db2.gz OSNHWOUJTMQTRV-AAEUAGOBSA-N 0 1 293.361 3.719 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000440808259 330756828 /nfs/dbraw/zinc/75/68/28/330756828.db2.gz PYHUTRLYOTUWQC-SNVBAGLBSA-N 0 1 283.297 3.588 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000440807048 330756833 /nfs/dbraw/zinc/75/68/33/330756833.db2.gz MVNPEJHGTVMAKK-SNVBAGLBSA-N 0 1 297.324 3.842 20 0 CHADMN CO[C@H]1CCCC[C@@H]1NCc1csc(CCC(C)C)n1 ZINC000441243128 330763906 /nfs/dbraw/zinc/76/39/06/330763906.db2.gz HVGATYJHEIWDQY-GJZGRUSLSA-N 0 1 296.480 3.779 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1nc(-c2cc3ccccc3o2)no1 ZINC000443102093 330795037 /nfs/dbraw/zinc/79/50/37/330795037.db2.gz GLCYNRNRBIQPIE-RYUDHWBXSA-N 0 1 297.358 3.856 20 0 CHADMN CC(C)(C)[C@@H](CO)NCc1nc(C2CCCCC2)cs1 ZINC000444689041 330819742 /nfs/dbraw/zinc/81/97/42/330819742.db2.gz LZJUBGWBDRZTJO-CQSZACIVSA-N 0 1 296.480 3.687 20 0 CHADMN CCO[C@@H](CNCc1ccc(Cl)o1)c1ccccc1 ZINC000446843129 330856289 /nfs/dbraw/zinc/85/62/89/330856289.db2.gz KARVDJJWTGZLJP-AWEZNQCLSA-N 0 1 279.767 3.800 20 0 CHADMN FC1(F)CCC(N[C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000446928534 330858128 /nfs/dbraw/zinc/85/81/28/330858128.db2.gz GPAOYESNKFCSIV-AWEZNQCLSA-N 0 1 291.345 3.667 20 0 CHADMN CCCC[C@H](CC)CNC(=O)c1sccc1CN(C)C ZINC000447088119 330861199 /nfs/dbraw/zinc/86/11/99/330861199.db2.gz FLADDYAIWHSEDK-ZDUSSCGKSA-N 0 1 296.480 3.756 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@H]1CCCc2occc21 ZINC000447581130 330871098 /nfs/dbraw/zinc/87/10/98/330871098.db2.gz SCIHCIDTUNOMMO-LRDDRELGSA-N 0 1 270.376 3.965 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](CO)c2sccc2C)c(C)o1 ZINC000447589546 330872013 /nfs/dbraw/zinc/87/20/13/330872013.db2.gz YDCFNEIZTHYKMJ-BXUZGUMPSA-N 0 1 279.405 3.651 20 0 CHADMN CC(C)(C)c1cnc(CNC[C@@H]2CCCCS2)s1 ZINC000447895255 330879393 /nfs/dbraw/zinc/87/93/93/330879393.db2.gz AUDUMHXZKMFRFU-NSHDSACASA-N 0 1 284.494 3.816 20 0 CHADMN CCOCc1ccc(CNCc2cc3cccnc3o2)cc1 ZINC000449078356 330897608 /nfs/dbraw/zinc/89/76/08/330897608.db2.gz UMAJBZWNVQLDOE-UHFFFAOYSA-N 0 1 296.370 3.654 20 0 CHADMN Cc1cnc(CNC[C@@H]2SCCc3ccccc32)s1 ZINC000449170751 330903294 /nfs/dbraw/zinc/90/32/94/330903294.db2.gz JEWBRIKCRDDTPN-AWEZNQCLSA-N 0 1 290.457 3.572 20 0 CHADMN Cc1cccc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)c1F ZINC000449178990 330903987 /nfs/dbraw/zinc/90/39/87/330903987.db2.gz UTIBUPMVEBGZSP-INIZCTEOSA-N 0 1 289.398 3.745 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nc(C(C)(C)C)no1)C1CCC1 ZINC000449275927 330911226 /nfs/dbraw/zinc/91/12/26/330911226.db2.gz AEGCNCWCALJDDI-CMPLNLGQSA-N 0 1 265.401 3.596 20 0 CHADMN Cc1ccoc1CN[C@@H]1CCCc2c(F)cccc21 ZINC000449351887 330917580 /nfs/dbraw/zinc/91/75/80/330917580.db2.gz RMJGHWMEEVUWLG-OAHLLOKOSA-N 0 1 259.324 3.894 20 0 CHADMN CC1(F)CC(NCc2c(F)cccc2OC(F)(F)F)C1 ZINC000449378116 330920604 /nfs/dbraw/zinc/92/06/04/330920604.db2.gz VSYKNSCLHVDNPM-UHFFFAOYSA-N 0 1 295.251 3.705 20 0 CHADMN FCC(CF)N[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000449378368 330920654 /nfs/dbraw/zinc/92/06/54/330920654.db2.gz DMUBKWFGRWFJNH-UONOGXRCSA-N 0 1 273.754 3.873 20 0 CHADMN CC[C@@H](C)[C@H](CNCc1ncc(C(C)(C)C)s1)OC ZINC000449405108 330923042 /nfs/dbraw/zinc/92/30/42/330923042.db2.gz XHFDQEXPIREIQR-NEPJUHHUSA-N 0 1 284.469 3.591 20 0 CHADMN Cc1csc(CNCc2cnc(C(F)(F)F)s2)c1 ZINC000449482648 330929636 /nfs/dbraw/zinc/92/96/36/330929636.db2.gz ZENSETJMDIIWCG-UHFFFAOYSA-N 0 1 292.351 3.822 20 0 CHADMN CCc1ccc(CN[C@@H]2CCCN(C)c3ccccc32)o1 ZINC000449652791 330942098 /nfs/dbraw/zinc/94/20/98/330942098.db2.gz QMMNHXUHSHZHKE-QGZVFWFLSA-N 0 1 284.403 3.903 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2NCc1cnc(C2CC2)o1 ZINC000449700915 330944767 /nfs/dbraw/zinc/94/47/67/330944767.db2.gz BMQCVVZVEYIJCD-QGZVFWFLSA-N 0 1 298.386 3.728 20 0 CHADMN COc1cc(CN2CCC(C(F)F)CC2)ccc1Cl ZINC000450499883 330984069 /nfs/dbraw/zinc/98/40/69/330984069.db2.gz JSSSAOZQARXLHK-UHFFFAOYSA-N 0 1 289.753 3.826 20 0 CHADMN COc1cc(CN[C@@H](C)c2cccnc2)ccc1Cl ZINC000450660471 330991716 /nfs/dbraw/zinc/99/17/16/330991716.db2.gz LBTOBLVEMMYZSJ-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN C[C@H](N[C@H]1CCC[C@@H]1Cc1ccccc1)c1csnn1 ZINC000450821107 331001147 /nfs/dbraw/zinc/00/11/47/331001147.db2.gz PVBWNRAPLPVSBR-CFVMTHIKSA-N 0 1 287.432 3.600 20 0 CHADMN COc1cc(CN2CCSCC[C@@H]2C)ccc1Cl ZINC000450838006 331001943 /nfs/dbraw/zinc/00/19/43/331001943.db2.gz NXGPLDDOOGIFLL-NSHDSACASA-N 0 1 285.840 3.676 20 0 CHADMN Fc1cccc(F)c1CN(CC1CC(F)(F)C1)C1CC1 ZINC000450845273 331002518 /nfs/dbraw/zinc/00/25/18/331002518.db2.gz RHEXSZLMICUTDE-UHFFFAOYSA-N 0 1 287.300 3.975 20 0 CHADMN c1ccc2oc(CN3CCC[C@H](c4ccncc4)C3)nc2c1 ZINC000451004013 331011442 /nfs/dbraw/zinc/01/14/42/331011442.db2.gz VVEWXVHJJSOQKI-HNNXBMFYSA-N 0 1 293.370 3.602 20 0 CHADMN Cc1ccc2[nH]c([C@H]3CCCN3CC[C@@H](C)F)nc2c1 ZINC000451015447 331011725 /nfs/dbraw/zinc/01/17/25/331011725.db2.gz KXSYUONADHDFOS-IUODEOHRSA-N 0 1 275.371 3.756 20 0 CHADMN CC[C@H](F)CN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451020453 331012064 /nfs/dbraw/zinc/01/20/64/331012064.db2.gz ZXAZSNWKMYOZIE-WFASDCNBSA-N 0 1 275.371 3.756 20 0 CHADMN CCc1nc(CSC2CCC(C(F)(F)F)CC2)n[nH]1 ZINC000451034700 331012815 /nfs/dbraw/zinc/01/28/15/331012815.db2.gz DPBXWDIEMIVFCJ-UHFFFAOYSA-N 0 1 293.358 3.721 20 0 CHADMN CC[C@@H](CC(F)(F)F)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000451132728 331016922 /nfs/dbraw/zinc/01/69/22/331016922.db2.gz YAXJVAQSVJFXDP-VIFPVBQESA-N 0 1 299.296 3.788 20 0 CHADMN Cc1ccccc1CC[N@H+](C)Cc1nc2cccnc2s1 ZINC000451167880 331018522 /nfs/dbraw/zinc/01/85/22/331018522.db2.gz UCGYFLXOLMDWQU-UHFFFAOYSA-N 0 1 297.427 3.674 20 0 CHADMN Cc1ccccc1CCN(C)Cc1nc2cccnc2s1 ZINC000451167880 331018523 /nfs/dbraw/zinc/01/85/23/331018523.db2.gz UCGYFLXOLMDWQU-UHFFFAOYSA-N 0 1 297.427 3.674 20 0 CHADMN CCCc1noc(CN2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)n1 ZINC000451181798 331019006 /nfs/dbraw/zinc/01/90/06/331019006.db2.gz IHQYHRGCTDMBNN-FMKPAKJESA-N 0 1 299.418 3.789 20 0 CHADMN C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@H](F)C1 ZINC000451191883 331019816 /nfs/dbraw/zinc/01/98/16/331019816.db2.gz SCEIJVZLNIZPJZ-CABZTGNLSA-N 0 1 261.262 3.810 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@]1(C)CC=CCC1 ZINC000451346687 331025063 /nfs/dbraw/zinc/02/50/63/331025063.db2.gz VCMSSGZPDCSTFK-MRXNPFEDSA-N 0 1 269.348 3.556 20 0 CHADMN CCC[C@H](NCc1nc(C(C)(C)C)no1)C(C)(C)C ZINC000451423450 331028837 /nfs/dbraw/zinc/02/88/37/331028837.db2.gz RNKOGAKZCJQBCJ-NSHDSACASA-N 0 1 267.417 3.672 20 0 CHADMN CCO[C@@H]1CCN([C@H](C)c2ccc(F)cc2F)C[C@H]1C ZINC000451542960 331033286 /nfs/dbraw/zinc/03/32/86/331033286.db2.gz OENZDLYPZYQALG-XHBSWPGZSA-N 0 1 283.362 3.773 20 0 CHADMN CO[C@@H]1CCC[C@H]1NCc1nc(C2CCCCC2)cs1 ZINC000451634071 331037544 /nfs/dbraw/zinc/03/75/44/331037544.db2.gz QUJTVSTWCHQRPG-UKRRQHHQSA-N 0 1 294.464 3.848 20 0 CHADMN CC(C)(C)OCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451841634 331044470 /nfs/dbraw/zinc/04/44/70/331044470.db2.gz QJNDKFKOFYKJBI-AWEZNQCLSA-N 0 1 263.381 3.622 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@H]2CC(C)C)c1 ZINC000451898616 331046615 /nfs/dbraw/zinc/04/66/15/331046615.db2.gz XZLGTAJZEZSGHV-CHWSQXEVSA-N 0 1 289.375 3.606 20 0 CHADMN C[C@H]1CCC(C)(C)N1Cc1noc(-c2ccsc2)n1 ZINC000452008430 331050348 /nfs/dbraw/zinc/05/03/48/331050348.db2.gz PAEWGEXLOXOLRT-JTQLQIEISA-N 0 1 277.393 3.561 20 0 CHADMN COC[C@H]1CCCN([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000452073366 331052917 /nfs/dbraw/zinc/05/29/17/331052917.db2.gz AXYVCIREQDGSHO-KGLIPLIRSA-N 0 1 294.439 3.782 20 0 CHADMN Cc1nc(CN(C(C)C)C2CC(C)(C)C2)oc1C ZINC000452108991 331054541 /nfs/dbraw/zinc/05/45/41/331054541.db2.gz WTRKEFLOKBLXLK-UHFFFAOYSA-N 0 1 250.386 3.690 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000194863733 331067434 /nfs/dbraw/zinc/06/74/34/331067434.db2.gz YCEZFWRONDIXJL-ULFGMLNVSA-N 0 1 299.439 3.717 20 0 CHADMN CC(C)=CCC[C@H](C)NC(=O)c1c(C)n[nH]c1C(C)C ZINC000452542811 331068048 /nfs/dbraw/zinc/06/80/48/331068048.db2.gz OLRJPSCCDSCSCL-LBPRGKRZSA-N 0 1 277.412 3.706 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H](c1cccs1)C1CC1 ZINC000453065041 331085904 /nfs/dbraw/zinc/08/59/04/331085904.db2.gz HNEJLWOVCCZVHD-RISCZKNCSA-N 0 1 275.421 3.766 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H](c2cccs2)C2CC2)c2nccn21 ZINC000453082615 331087362 /nfs/dbraw/zinc/08/73/62/331087362.db2.gz UYRKCVOEQGTMQQ-SCDSUCTJSA-N 0 1 273.405 3.691 20 0 CHADMN COc1ncccc1CN[C@@H]1CC[C@H](C)c2ccsc21 ZINC000453101877 331089155 /nfs/dbraw/zinc/08/91/55/331089155.db2.gz ZLADJIUEPVDQTO-SMDDNHRTSA-N 0 1 288.416 3.880 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2ccncn2)c1 ZINC000453103592 331089450 /nfs/dbraw/zinc/08/94/50/331089450.db2.gz BJHMPJSOWCMJSL-KGLIPLIRSA-N 0 1 255.365 3.505 20 0 CHADMN C[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccncn1 ZINC000453116745 331090746 /nfs/dbraw/zinc/09/07/46/331090746.db2.gz YMEJGAKGZCLSLV-YVEFUNNKSA-N 0 1 285.366 3.808 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H](C)c2ccccc21)c1ccncn1 ZINC000453161281 331095652 /nfs/dbraw/zinc/09/56/52/331095652.db2.gz AHQDESIRYPMFLT-IIYDPXPESA-N 0 1 267.376 3.766 20 0 CHADMN C[C@H](N[C@@H]1CC1(C)C)c1ncc(-c2ccccc2)n1C ZINC000453163548 331095950 /nfs/dbraw/zinc/09/59/50/331095950.db2.gz NNNFHLQHIRJRKQ-SWLSCSKDSA-N 0 1 269.392 3.536 20 0 CHADMN C[C@@H]1C[C@H](N[C@H]2C[C@H](C)n3ccnc32)c2ccccc21 ZINC000453163487 331096003 /nfs/dbraw/zinc/09/60/03/331096003.db2.gz SJCTVSICUKGIRG-KNPMLCFXSA-N 0 1 267.376 3.727 20 0 CHADMN Cc1cc([C@H](C)NCc2cnn3ccccc23)cs1 ZINC000453205273 331101239 /nfs/dbraw/zinc/10/12/39/331101239.db2.gz DVFRFGOLTZQENP-LBPRGKRZSA-N 0 1 271.389 3.555 20 0 CHADMN COCCCC[C@@H](N[C@@H](C)c1ccncn1)c1ccccc1 ZINC000453223416 331103315 /nfs/dbraw/zinc/10/33/15/331103315.db2.gz RFOATYIAQCKRKE-MAUKXSAKSA-N 0 1 299.418 3.685 20 0 CHADMN C[C@@H](NC1CCc2ccccc2CC1)C(C)(F)F ZINC000453277535 331110275 /nfs/dbraw/zinc/11/02/75/331110275.db2.gz DJSGKTNWKODQSE-LLVKDONJSA-N 0 1 253.336 3.567 20 0 CHADMN CC[C@@H](NCc1ccnc(C)c1)c1ccc(F)cc1F ZINC000453292799 331112023 /nfs/dbraw/zinc/11/20/23/331112023.db2.gz ORMRFRBUGBJBRG-MRXNPFEDSA-N 0 1 276.330 3.909 20 0 CHADMN Fc1ccc([C@@H](NCc2cnc(C3CC3)o2)C2CC2)cc1 ZINC000453349134 331120303 /nfs/dbraw/zinc/12/03/03/331120303.db2.gz JELPTELVOVCNHR-INIZCTEOSA-N 0 1 286.350 3.932 20 0 CHADMN COc1cccnc1CN[C@@H](CC(C)C)c1ccccc1 ZINC000453350705 331120625 /nfs/dbraw/zinc/12/06/25/331120625.db2.gz DQMAYECMSIVYBK-INIZCTEOSA-N 0 1 284.403 3.967 20 0 CHADMN Cc1cccc([C@H](C)NCc2cnc(C3CC3)o2)c1 ZINC000453365245 331123174 /nfs/dbraw/zinc/12/31/74/331123174.db2.gz RGSDXHVMWHAYGO-LBPRGKRZSA-N 0 1 256.349 3.711 20 0 CHADMN CCCc1ncc(CN[C@H]2CCCc3ccccc32)o1 ZINC000453372539 331124201 /nfs/dbraw/zinc/12/42/01/331124201.db2.gz IUTKAEHKAVFCJK-INIZCTEOSA-N 0 1 270.376 3.794 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](O)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000453374717 331124565 /nfs/dbraw/zinc/12/45/65/331124565.db2.gz SUIBQFYSEVJNNW-BIIVOSGPSA-N 0 1 294.609 3.821 20 0 CHADMN COc1cc([C@H](C)N[C@@H](C)c2cccc(C)c2)c(F)cn1 ZINC000453380565 331125638 /nfs/dbraw/zinc/12/56/38/331125638.db2.gz AWEDHIFAFNGJCH-STQMWFEESA-N 0 1 288.366 3.950 20 0 CHADMN COc1cccnc1CN[C@@H]1CC[C@H](C)c2ccccc21 ZINC000453380614 331125682 /nfs/dbraw/zinc/12/56/82/331125682.db2.gz XQJCDXYOAGDSPF-XJKSGUPXSA-N 0 1 282.387 3.818 20 0 CHADMN CCCc1ncc(CN[C@H]2c3ccccc3C[C@H]2C)o1 ZINC000453389924 331127218 /nfs/dbraw/zinc/12/72/18/331127218.db2.gz PXTGVMSZBIKEME-SJKOYZFVSA-N 0 1 270.376 3.650 20 0 CHADMN CCc1ncc(CN[C@H]2C[C@H](C)c3c2cccc3C)o1 ZINC000453394165 331127760 /nfs/dbraw/zinc/12/77/60/331127760.db2.gz SDYSUZYHLBCRBV-WFASDCNBSA-N 0 1 270.376 3.884 20 0 CHADMN CCCc1ncc(CN[C@@H](CC)c2cccs2)o1 ZINC000453396671 331128136 /nfs/dbraw/zinc/12/81/36/331128136.db2.gz VAWYHGPGWIISSN-LBPRGKRZSA-N 0 1 264.394 3.930 20 0 CHADMN CCc1ncc(CN[C@@H]2CCCc3ccc(C)cc32)o1 ZINC000453398770 331128300 /nfs/dbraw/zinc/12/83/00/331128300.db2.gz XIEXKTSAWGTWJC-MRXNPFEDSA-N 0 1 270.376 3.713 20 0 CHADMN CCCc1ncc(CN[C@@H](CC)c2ccc(OC)cc2)o1 ZINC000453399975 331128413 /nfs/dbraw/zinc/12/84/13/331128413.db2.gz XXTXXVRREUMOGD-INIZCTEOSA-N 0 1 288.391 3.877 20 0 CHADMN CCCc1ncc(CN[C@H](C)c2sccc2C)o1 ZINC000453401729 331128811 /nfs/dbraw/zinc/12/88/11/331128811.db2.gz ZNVGDUHOHFLLSD-LLVKDONJSA-N 0 1 264.394 3.848 20 0 CHADMN CC[C@]1(C(C)C)C[C@H]1N[C@@H](C)c1csc(C)n1 ZINC000453425765 331130990 /nfs/dbraw/zinc/13/09/90/331130990.db2.gz NSNCMBJUFJQSRU-ZLKJLUDKSA-N 0 1 252.427 3.927 20 0 CHADMN CC1(C)C[C@H](CN[C@H](Cc2ccccc2)C(F)F)CCO1 ZINC000453429909 331131194 /nfs/dbraw/zinc/13/11/94/331131194.db2.gz QPKYAJLMQDBUOB-HUUCEWRRSA-N 0 1 297.389 3.658 20 0 CHADMN C[C@@H](CC1CCOCC1)Nc1ccc2cnccc2c1 ZINC000453597076 331135573 /nfs/dbraw/zinc/13/55/73/331135573.db2.gz BHSYMYRSXAKRMN-ZDUSSCGKSA-N 0 1 270.376 3.852 20 0 CHADMN C[C@H](CC1CCOCC1)Nc1ccc2cnccc2c1 ZINC000453597074 331135575 /nfs/dbraw/zinc/13/55/75/331135575.db2.gz BHSYMYRSXAKRMN-CYBMUJFWSA-N 0 1 270.376 3.852 20 0 CHADMN COC1(CNc2ccc3cnccc3c2)CCCC1 ZINC000453597182 331135620 /nfs/dbraw/zinc/13/56/20/331135620.db2.gz CDJDLMPWWACOFA-UHFFFAOYSA-N 0 1 256.349 3.606 20 0 CHADMN CCCC[C@H](COC)Nc1ccc2cnccc2c1 ZINC000453614205 331136570 /nfs/dbraw/zinc/13/65/70/331136570.db2.gz LNKDAJOGJFLYCR-MRXNPFEDSA-N 0 1 258.365 3.852 20 0 CHADMN CC(C)CN(Cc1cnn(C)c1)Cc1cc(Cl)cs1 ZINC000453621235 331136914 /nfs/dbraw/zinc/13/69/14/331136914.db2.gz YLIVEURRHHVPCS-UHFFFAOYSA-N 0 1 297.855 3.793 20 0 CHADMN CC[C@@]1(C(C)C)C[C@@H]1NCc1csc(C2CC2)n1 ZINC000453621790 331137068 /nfs/dbraw/zinc/13/70/68/331137068.db2.gz YHNKGUQPLYQMOA-ZFWWWQNUSA-N 0 1 264.438 3.935 20 0 CHADMN COC(=O)C[C@@H]1CC[C@H](Nc2ccc3cnccc3c2)[C@H]1C ZINC000453625886 331137266 /nfs/dbraw/zinc/13/72/66/331137266.db2.gz ZQRAVTIUEAYJME-DCGLDWPTSA-N 0 1 298.386 3.625 20 0 CHADMN Cc1ccc(CNCc2ccc(Cl)cn2)cc1Cl ZINC000195449496 331173744 /nfs/dbraw/zinc/17/37/44/331173744.db2.gz BIIKQFIKLVABSK-UHFFFAOYSA-N 0 1 281.186 3.987 20 0 CHADMN CC(C)c1cc(C(=O)N2CC3(CCCC3)[C@@H]2C(C)C)n[nH]1 ZINC000457182080 331214122 /nfs/dbraw/zinc/21/41/22/331214122.db2.gz YAPUWFWYAWIITA-HNNXBMFYSA-N 0 1 289.423 3.574 20 0 CHADMN CCc1cccc(N(C)C(=O)c2c[nH]nc2C(C)(C)C)c1 ZINC000457327080 331219097 /nfs/dbraw/zinc/21/90/97/331219097.db2.gz NHCBAEAWKCMHNC-UHFFFAOYSA-N 0 1 285.391 3.546 20 0 CHADMN CCn1nncc1C[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC000459294437 331275078 /nfs/dbraw/zinc/27/50/78/331275078.db2.gz FMVIYFIKARBXCB-UHFFFAOYSA-N 0 1 298.434 3.633 20 0 CHADMN CCn1nncc1CN(Cc1ccccc1)C1CCCCC1 ZINC000459294437 331275079 /nfs/dbraw/zinc/27/50/79/331275079.db2.gz FMVIYFIKARBXCB-UHFFFAOYSA-N 0 1 298.434 3.633 20 0 CHADMN Cc1cc(CNCCc2cccc(Cl)c2Cl)no1 ZINC000459369742 331278756 /nfs/dbraw/zinc/27/87/56/331278756.db2.gz HVMHIFQSZVDVDW-UHFFFAOYSA-N 0 1 285.174 3.622 20 0 CHADMN C[C@@H](NCc1cnc(C2CC2)nc1)c1ccc(Cl)s1 ZINC000459383619 331279535 /nfs/dbraw/zinc/27/95/35/331279535.db2.gz GQHDLACFIAGOJZ-SECBINFHSA-N 0 1 293.823 3.920 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1cnc(C2CC2)nc1 ZINC000459472240 331283517 /nfs/dbraw/zinc/28/35/17/331283517.db2.gz APYCVASDJNKWJG-HNNXBMFYSA-N 0 1 259.397 3.509 20 0 CHADMN CN(Cc1ccc(C2CC2)cc1)Cc1ccccn1 ZINC000459492637 331284913 /nfs/dbraw/zinc/28/49/13/331284913.db2.gz YVOFQFJDJFOGKS-UHFFFAOYSA-N 0 1 252.361 3.591 20 0 CHADMN CC(C)(C)OCc1cc(CNC2CC(C(C)(C)C)C2)no1 ZINC000459494059 331284987 /nfs/dbraw/zinc/28/49/87/331284987.db2.gz AXDYJVDOQWCVFS-UHFFFAOYSA-N 0 1 294.439 3.904 20 0 CHADMN Fc1ccc2cc(CN3CC4(C3)CCCC4)[nH]c2c1 ZINC000459557149 331287561 /nfs/dbraw/zinc/28/75/61/331287561.db2.gz GVBDMXZBHARQNJ-UHFFFAOYSA-N 0 1 258.340 3.683 20 0 CHADMN COC[C@@]1(C)CCN(Cc2c(F)cc(C)cc2Cl)C1 ZINC000459569276 331288279 /nfs/dbraw/zinc/28/82/79/331288279.db2.gz MDLROXUQOHJCKC-HNNXBMFYSA-N 0 1 285.790 3.646 20 0 CHADMN Cc1cc(CNCCc2cc3ccccc3s2)no1 ZINC000459587047 331289479 /nfs/dbraw/zinc/28/94/79/331289479.db2.gz JYPPZMNHNVWKHM-UHFFFAOYSA-N 0 1 272.373 3.530 20 0 CHADMN COCC1(C)CN(Cc2ccc(-c3ccc(C)cc3)o2)C1 ZINC000459624788 331291039 /nfs/dbraw/zinc/29/10/39/331291039.db2.gz UTSNJLHVWDPWFU-UHFFFAOYSA-N 0 1 285.387 3.723 20 0 CHADMN Cc1cccc(CN2CC(C)(CC(F)(F)F)C2)c1 ZINC000459631515 331291136 /nfs/dbraw/zinc/29/11/36/331291136.db2.gz CNQWZEODMIQOOK-UHFFFAOYSA-N 0 1 257.299 3.769 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1ccc2c[nH]nc2c1 ZINC000459661133 331292766 /nfs/dbraw/zinc/29/27/66/331292766.db2.gz QFYVNDPROUOMSG-CYBMUJFWSA-N 0 1 295.386 3.731 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cccnc1C ZINC000459663662 331292961 /nfs/dbraw/zinc/29/29/61/331292961.db2.gz XQOQTWFDAIIDIG-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN COC1CCC(N[C@H](CCc2ccccc2)C(F)F)CC1 ZINC000459678347 331293902 /nfs/dbraw/zinc/29/39/02/331293902.db2.gz NEEZAOMRQOFLLY-UYSNPLJNSA-N 0 1 297.389 3.800 20 0 CHADMN Cc1ccnc(CN(C)[C@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000459703058 331295057 /nfs/dbraw/zinc/29/50/57/331295057.db2.gz NTJXQSARNCXLFY-SJORKVTESA-N 0 1 281.403 3.553 20 0 CHADMN C[C@H](CC1CCOCC1)CN1Cc2cccc(F)c2C1 ZINC000459711007 331295289 /nfs/dbraw/zinc/29/52/89/331295289.db2.gz LRYDIWBHKDBPQM-CYBMUJFWSA-N 0 1 277.383 3.594 20 0 CHADMN CCC1(c2ccccc2)CN(Cc2cnc(C)s2)C1 ZINC000459743742 331297719 /nfs/dbraw/zinc/29/77/19/331297719.db2.gz GFURAYNAKQAIKL-UHFFFAOYSA-N 0 1 272.417 3.615 20 0 CHADMN CCC[C@@H](NCc1noc(-c2ccsc2)n1)C1CCC1 ZINC000459786130 331300869 /nfs/dbraw/zinc/30/08/69/331300869.db2.gz CYXUIDHXVLJKNZ-CYBMUJFWSA-N 0 1 291.420 3.857 20 0 CHADMN CC(=O)c1c(C)cc(C)c(CN2C[C@@H]3C[C@H]2CS3)c1C ZINC000459785442 331300875 /nfs/dbraw/zinc/30/08/75/331300875.db2.gz BYGDDOIDSSFJKI-GJZGRUSLSA-N 0 1 289.444 3.504 20 0 CHADMN C[C@@H](N[C@@H]1CCC(C)(C)c2ccccc21)c1ccn(C)n1 ZINC000459788429 331301101 /nfs/dbraw/zinc/30/11/01/331301101.db2.gz LPMOBSRBLVSUCV-CXAGYDPISA-N 0 1 283.419 3.883 20 0 CHADMN CCC[C@H](N[C@@H](C)c1nc(C(C)(C)C)no1)C1CCC1 ZINC000459791031 331301121 /nfs/dbraw/zinc/30/11/21/331301121.db2.gz HADFNDOJHOXEPV-AAEUAGOBSA-N 0 1 279.428 3.987 20 0 CHADMN CCC[C@H](N[C@@H](C)c1nc(C(C)C)no1)C1CCC1 ZINC000459789251 331301135 /nfs/dbraw/zinc/30/11/35/331301135.db2.gz FYRWGSOZOFEXDU-AAEUAGOBSA-N 0 1 265.401 3.812 20 0 CHADMN CCC[C@@H](NCc1nc([C@H](C)SCC)no1)C1CCC1 ZINC000459810959 331301789 /nfs/dbraw/zinc/30/17/89/331301789.db2.gz USHBQEDNVDYKPS-WCQYABFASA-N 0 1 297.468 3.942 20 0 CHADMN CCC[C@H](NCc1nc(C2CCCC2)no1)C1CCC1 ZINC000459807752 331301836 /nfs/dbraw/zinc/30/18/36/331301836.db2.gz RKCJIOZTWISRRG-AWEZNQCLSA-N 0 1 277.412 3.786 20 0 CHADMN C[C@H]1CCN(Cc2cscn2)CC12CCCCC2 ZINC000462465382 331322351 /nfs/dbraw/zinc/32/23/51/331322351.db2.gz SEATVHMNJVQBHK-ZDUSSCGKSA-N 0 1 264.438 3.935 20 0 CHADMN COc1ccc(F)cc1CNCCO[C@@H]1CCCC[C@@H]1C ZINC000462788468 331329034 /nfs/dbraw/zinc/32/90/34/331329034.db2.gz BTBQJZAHRHGWQX-XJKSGUPXSA-N 0 1 295.398 3.519 20 0 CHADMN CCN(Cc1ccn(-c2ccccc2)n1)CC(C)(C)C ZINC000462830399 331331789 /nfs/dbraw/zinc/33/17/89/331331789.db2.gz CDZHSSZERKFVIF-UHFFFAOYSA-N 0 1 271.408 3.740 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H](C)C(CC)CC)c1 ZINC000462919979 331335165 /nfs/dbraw/zinc/33/51/65/331335165.db2.gz VHDQATBVOMMFAN-LLVKDONJSA-N 0 1 291.391 3.996 20 0 CHADMN c1nc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc2c1CCCC2 ZINC000462956487 331335917 /nfs/dbraw/zinc/33/59/17/331335917.db2.gz JCTINDHASWUFCI-JQHSSLGASA-N 0 1 298.430 3.720 20 0 CHADMN CC1(C)[C@H](Nc2cc3c(cn2)CCCC3)[C@H]2CCCO[C@H]21 ZINC000462962725 331336082 /nfs/dbraw/zinc/33/60/82/331336082.db2.gz JAFHBNSIUPMXGS-DJIMGWMZSA-N 0 1 286.419 3.576 20 0 CHADMN CCN(CC(C)(C)C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000463023753 331337342 /nfs/dbraw/zinc/33/73/42/331337342.db2.gz ZDBPCWORTQAMGY-UHFFFAOYSA-N 0 1 291.439 3.966 20 0 CHADMN CCN(Cc1ccc(C)cc1Cl)C[C@H](C)OC ZINC000463420973 331347363 /nfs/dbraw/zinc/34/73/63/331347363.db2.gz FFQSOIDRDYPQLV-LBPRGKRZSA-N 0 1 255.789 3.505 20 0 CHADMN NC1(c2noc(/C=C\c3ccc(Cl)cc3)n2)CCCC1 ZINC000463457158 331348160 /nfs/dbraw/zinc/34/81/60/331348160.db2.gz RQOSZJNMRPAAFN-YVMONPNESA-N 0 1 289.766 3.621 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000464196161 331357832 /nfs/dbraw/zinc/35/78/32/331357832.db2.gz BBOGBXWJJYMXOZ-CZUORRHYSA-N 0 1 299.418 3.912 20 0 CHADMN CC(C)[C@@H]1CCN(Cc2nnc(-c3ccccc3)s2)C1 ZINC000464678903 331364547 /nfs/dbraw/zinc/36/45/47/331364547.db2.gz RLSGLTXDHUKDIA-CQSZACIVSA-N 0 1 287.432 3.683 20 0 CHADMN CCCCc1noc(CN2CCC[C@@H](C)[C@@H]2CCC)n1 ZINC000464733198 331365644 /nfs/dbraw/zinc/36/56/44/331365644.db2.gz MVWDPMRRPUPIMF-KGLIPLIRSA-N 0 1 279.428 3.813 20 0 CHADMN Cc1oc(-c2ccccc2)nc1CN1CCC(C)(C)C1 ZINC000464796780 331368897 /nfs/dbraw/zinc/36/88/97/331368897.db2.gz VXPJALCNAAUJPU-UHFFFAOYSA-N 0 1 270.376 3.882 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000464814810 331369311 /nfs/dbraw/zinc/36/93/11/331369311.db2.gz RCBYAAZRPXBNIU-RYUDHWBXSA-N 0 1 295.810 3.732 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1C[C@H](C)CC[C@@H]1C ZINC000464820767 331369502 /nfs/dbraw/zinc/36/95/02/331369502.db2.gz GAOZPQITPTVMQW-YPMHNXCESA-N 0 1 294.826 3.707 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1C[C@H](C)CC[C@H]1C ZINC000464822791 331369804 /nfs/dbraw/zinc/36/98/04/331369804.db2.gz NGPYCENRFDMZSA-DGCLKSJQSA-N 0 1 294.826 3.707 20 0 CHADMN Cc1cccc(CN2C[C@@H](C)OC[C@@H]2c2ccccc2)c1 ZINC000464849880 331371073 /nfs/dbraw/zinc/37/10/73/331371073.db2.gz ZNXVJPNIVQQSGB-VQIMIIECSA-N 0 1 281.399 3.957 20 0 CHADMN Cc1cccc(CN2C[C@H](C)OC[C@@H]2c2ccccc2)c1 ZINC000464849879 331371153 /nfs/dbraw/zinc/37/11/53/331371153.db2.gz ZNXVJPNIVQQSGB-QFBILLFUSA-N 0 1 281.399 3.957 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000464880709 331372530 /nfs/dbraw/zinc/37/25/30/331372530.db2.gz MFHJOSXMMGGOQM-INIZCTEOSA-N 0 1 276.355 3.979 20 0 CHADMN Fc1ccc2oc(CN3CC[C@@H]3Cc3ccccc3)nc2c1 ZINC000464883214 331372547 /nfs/dbraw/zinc/37/25/47/331372547.db2.gz NZXIMENMJSJYMP-OAHLLOKOSA-N 0 1 296.345 3.784 20 0 CHADMN CCC[C@@]1(C)CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000464891986 331372864 /nfs/dbraw/zinc/37/28/64/331372864.db2.gz KGGBISDXSQJRQX-KRWDZBQOSA-N 0 1 285.391 3.605 20 0 CHADMN CC/C=C/CC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000466222044 331391154 /nfs/dbraw/zinc/39/11/54/331391154.db2.gz GRIKKXWNLMINOG-QDLOVBKTSA-N 0 1 296.418 3.965 20 0 CHADMN CN(Cc1cc(Cl)cn1C)[C@@H]1CCc2ccc(F)cc21 ZINC000466483085 331398199 /nfs/dbraw/zinc/39/81/99/331398199.db2.gz UNZSBKQINWCQNG-MRXNPFEDSA-N 0 1 292.785 3.937 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccc(SC)cc1)c1ccn(C)n1 ZINC000467420984 331418522 /nfs/dbraw/zinc/41/85/22/331418522.db2.gz UMSWUQTZMDWNPD-WFASDCNBSA-N 0 1 289.448 3.944 20 0 CHADMN C[C@H](Nc1ccc(Cl)c(CN(C)C)c1)[C@H]1CCCOC1 ZINC000467444268 331419724 /nfs/dbraw/zinc/41/97/24/331419724.db2.gz GQTDHPBVCSOEBR-STQMWFEESA-N 0 1 296.842 3.629 20 0 CHADMN Cc1cc([C@@H](C)N2CCC(Cc3ccccc3)CC2)no1 ZINC000468081319 331428267 /nfs/dbraw/zinc/42/82/67/331428267.db2.gz AOLQZOVIDAJSMD-OAHLLOKOSA-N 0 1 284.403 3.999 20 0 CHADMN C[C@H](CC(C)(C)C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000470699665 331487542 /nfs/dbraw/zinc/48/75/42/331487542.db2.gz BPOYCRYORRWHER-OLZOCXBDSA-N 0 1 296.480 3.539 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](CO)c2ccsc2)cc1 ZINC000471589020 331511587 /nfs/dbraw/zinc/51/15/87/331511587.db2.gz ZFQZLWSNQBZPQR-BLLLJJGKSA-N 0 1 275.417 3.695 20 0 CHADMN Clc1ccc(CCCCN2CCOCC2)cc1Cl ZINC000473835997 331558560 /nfs/dbraw/zinc/55/85/60/331558560.db2.gz KXDLZXSYPICFCG-UHFFFAOYSA-N 0 1 288.218 3.648 20 0 CHADMN CCC1CCN(Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000474154598 331573669 /nfs/dbraw/zinc/57/36/69/331573669.db2.gz RVTVHPKDTDOVBK-UHFFFAOYSA-N 0 1 287.382 3.633 20 0 CHADMN Fc1cc(F)c(CN[C@H]2CC[C@@H]2C2CCC2)c(F)c1F ZINC000510965151 332922214 /nfs/dbraw/zinc/92/22/14/332922214.db2.gz YWZVUAOBURCDCU-RNCFNFMXSA-N 0 1 287.300 3.911 20 0 CHADMN COc1cc2c(cc1F)nccc2NCc1ccccc1 ZINC000479860289 331749099 /nfs/dbraw/zinc/74/90/99/331749099.db2.gz LFSQOOSPMLIGTD-UHFFFAOYSA-N 0 1 282.318 3.995 20 0 CHADMN CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cccc(Cl)c1O ZINC000481666450 331811604 /nfs/dbraw/zinc/81/16/04/331811604.db2.gz ISMBEILZPKXWFD-LKFCYVNXSA-N 0 1 267.756 3.666 20 0 CHADMN CCCC[C@@H](COC)NCc1c(F)cccc1Cl ZINC000481712481 331812934 /nfs/dbraw/zinc/81/29/34/331812934.db2.gz AEEHXMBDHGWPLV-NSHDSACASA-N 0 1 273.779 3.774 20 0 CHADMN C[C@H](Cc1ccccc1C(F)(F)F)N[C@@H](C)c1ccon1 ZINC000481997393 331820966 /nfs/dbraw/zinc/82/09/66/331820966.db2.gz DXGGVHULCUVSBS-MNOVXSKESA-N 0 1 298.308 3.975 20 0 CHADMN COc1ccc(Cl)c(CN2CCC(C)CC2)c1 ZINC000483520029 331878123 /nfs/dbraw/zinc/87/81/23/331878123.db2.gz SJEXUTLTXFINBB-UHFFFAOYSA-N 0 1 253.773 3.581 20 0 CHADMN CCCOc1ccc([C@H](C)NCc2ccc(F)cn2)cc1 ZINC000484808884 331905671 /nfs/dbraw/zinc/90/56/71/331905671.db2.gz MIZARMGANFHBLU-ZDUSSCGKSA-N 0 1 288.366 3.860 20 0 CHADMN C[C@H](Cc1nc(=O)c2sccc2[nH]1)c1ccccc1 ZINC000484903428 331906928 /nfs/dbraw/zinc/90/69/28/331906928.db2.gz GCCCYJKNVHUGCM-SNVBAGLBSA-N 0 1 270.357 3.743 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CC[C@H](C2CC2)C1 ZINC000487107787 331956528 /nfs/dbraw/zinc/95/65/28/331956528.db2.gz IDQVULLXSKWKMX-LBPRGKRZSA-N 0 1 256.324 3.610 20 0 CHADMN Cc1csc(C2(NC/C=C\c3ccncc3)CCCC2)n1 ZINC000487276556 331962327 /nfs/dbraw/zinc/96/23/27/331962327.db2.gz QQNWYBSAVIMVGT-PLNGDYQASA-N 0 1 299.443 3.919 20 0 CHADMN C[C@@H]1C[C@H]1CN1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000488335578 332000450 /nfs/dbraw/zinc/00/04/50/332000450.db2.gz SHWZFWBUTJRQRK-ZLDLUXBVSA-N 0 1 299.336 3.735 20 0 CHADMN C[C@H]1COC(C)(C)CN1Cc1cccc(-c2ccccn2)c1 ZINC000488368131 332002476 /nfs/dbraw/zinc/00/24/76/332002476.db2.gz OUIFEVRPWIQHNJ-HNNXBMFYSA-N 0 1 296.414 3.748 20 0 CHADMN CCc1cnc(CN[C@H]2CS[C@@H](C(C)(C)C)C2)s1 ZINC000488412323 332003358 /nfs/dbraw/zinc/00/33/58/332003358.db2.gz BEFDNIHAUZRBFY-ZYHUDNBSSA-N 0 1 284.494 3.715 20 0 CHADMN C[C@H]1COC(C)(C)CN1Cc1cccc(-c2ccncc2)c1 ZINC000488405859 332004574 /nfs/dbraw/zinc/00/45/74/332004574.db2.gz JIGMIKCRRYMSFD-HNNXBMFYSA-N 0 1 296.414 3.748 20 0 CHADMN CC(C)[C@H]1C[C@@H](NCc2ccn(C3CCCC3)n2)CS1 ZINC000488414788 332005521 /nfs/dbraw/zinc/00/55/21/332005521.db2.gz RGBDRLKHKWMPPX-GDBMZVCRSA-N 0 1 293.480 3.618 20 0 CHADMN CC(C)c1nnc(CN[C@@H]2CS[C@@H](C(C)(C)C)C2)s1 ZINC000488446418 332009610 /nfs/dbraw/zinc/00/96/10/332009610.db2.gz KGZGDSZYRKNSJG-WDEREUQCSA-N 0 1 299.509 3.671 20 0 CHADMN COc1ccccc1[C@H](NC[C@H]1C[C@H]1C)c1ccco1 ZINC000488522950 332015617 /nfs/dbraw/zinc/01/56/17/332015617.db2.gz WLBQJOLLSSTELB-XNJGSVPQSA-N 0 1 271.360 3.623 20 0 CHADMN CC(C)Cn1ccnc1CN[C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488578504 332018642 /nfs/dbraw/zinc/01/86/42/332018642.db2.gz YVJNSTWTHHWUHJ-KBPBESRZSA-N 0 1 295.496 3.549 20 0 CHADMN CCCCSCCC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488948353 332034772 /nfs/dbraw/zinc/03/47/72/332034772.db2.gz UQXHKAAYMNGGOR-UHFFFAOYSA-N 0 1 295.383 3.564 20 0 CHADMN CC(C)CC(C)(C)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488954082 332035255 /nfs/dbraw/zinc/03/52/55/332035255.db2.gz MUQNDQMJFKPQGA-UHFFFAOYSA-N 0 1 277.343 3.713 20 0 CHADMN C[C@@H](CC(C)(C)C)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488955036 332035315 /nfs/dbraw/zinc/03/53/15/332035315.db2.gz YAHIIDYUTNRKDS-VIFPVBQESA-N 0 1 277.343 3.713 20 0 CHADMN CSC[C@@H]1CCCN(c2ccnc(C)c2Cl)C1 ZINC000488957833 332035504 /nfs/dbraw/zinc/03/55/04/332035504.db2.gz VNUPODNPGKZWLI-LLVKDONJSA-N 0 1 270.829 3.623 20 0 CHADMN CCC[C@H](C(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1)C(C)C ZINC000489192289 332043065 /nfs/dbraw/zinc/04/30/65/332043065.db2.gz OMEVHVNXTKFWIY-UPJWGTAASA-N 0 1 294.443 3.568 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C[C@H](CC)C(C)C)n[nH]1 ZINC000489293774 332045626 /nfs/dbraw/zinc/04/56/26/332045626.db2.gz ZACIKIVCOWIHSV-XQQFMLRXSA-N 0 1 294.443 3.568 20 0 CHADMN CC(C)c1ccc([C@H]2CCCCN2C(=O)c2ccn[nH]2)cc1 ZINC000489482511 332055383 /nfs/dbraw/zinc/05/53/83/332055383.db2.gz LPTYXXXHWFZOHK-QGZVFWFLSA-N 0 1 297.402 3.901 20 0 CHADMN CC[C@@H]1CCCN(Cc2nc3c(cccc3F)n2CC)C1 ZINC000489661686 332063547 /nfs/dbraw/zinc/06/35/47/332063547.db2.gz YNQLMRREDRWWDB-CYBMUJFWSA-N 0 1 289.398 3.817 20 0 CHADMN CC(C)(C)OC1CC(NCc2c(F)cccc2Cl)C1 ZINC000490131259 332082409 /nfs/dbraw/zinc/08/24/09/332082409.db2.gz VFTDDQUSVGBSRX-UHFFFAOYSA-N 0 1 285.790 3.915 20 0 CHADMN OC[C@@H](NCc1ccc2c(c1)CCCC2)c1ccc(F)cc1 ZINC000491233573 332171658 /nfs/dbraw/zinc/17/16/58/332171658.db2.gz BVTSGUMOVXZGND-LJQANCHMSA-N 0 1 299.389 3.528 20 0 CHADMN Cn1ccnc1[C@H](NCc1ccc2c(c1)CCCC2)C1CC1 ZINC000491377247 332200694 /nfs/dbraw/zinc/20/06/94/332200694.db2.gz VUBMWWATEGXBQQ-GOSISDBHSA-N 0 1 295.430 3.540 20 0 CHADMN CC(C)[C@@H](NC(=O)/C=C/C1CCC1)c1nc2ccccc2[nH]1 ZINC000492090500 332382433 /nfs/dbraw/zinc/38/24/33/332382433.db2.gz BKKNYQMQEQFJJM-SXSDINLZSA-N 0 1 297.402 3.733 20 0 CHADMN C[C@@H](NCc1ccc(Cl)o1)[C@@H]1OCCc2sccc21 ZINC000492223094 332388081 /nfs/dbraw/zinc/38/80/81/332388081.db2.gz GYELOWRLGAUWKG-OTYXRUKQSA-N 0 1 297.807 3.787 20 0 CHADMN Cc1ncccc1CNC(C)(C)c1ccccc1F ZINC000492483459 332399750 /nfs/dbraw/zinc/39/97/50/332399750.db2.gz KRJYQPKXTTUKRJ-UHFFFAOYSA-N 0 1 258.340 3.554 20 0 CHADMN CCc1cnc(CN[C@H](C)[C@H](OC)c2ccccc2)s1 ZINC000493923772 332458316 /nfs/dbraw/zinc/45/83/16/332458316.db2.gz DTZHYNZHTOHGIE-WBMJQRKESA-N 0 1 290.432 3.571 20 0 CHADMN CCc1nc(CN[C@@H](C)[C@H](OC)c2ccccc2)cs1 ZINC000493946108 332458978 /nfs/dbraw/zinc/45/89/78/332458978.db2.gz XKNBPVSYDXEPPM-LRDDRELGSA-N 0 1 290.432 3.571 20 0 CHADMN CCOC[C@H](C)NCc1cc(C(F)(F)F)ccc1Cl ZINC000494224357 332467256 /nfs/dbraw/zinc/46/72/56/332467256.db2.gz SKVOJNBITUFTDV-VIFPVBQESA-N 0 1 295.732 3.873 20 0 CHADMN Cc1cscc1CN[C@H](C)c1cnn(C(C)C)c1C ZINC000494480502 332475048 /nfs/dbraw/zinc/47/50/48/332475048.db2.gz ZSESNYGKVKGLPZ-GFCCVEGCSA-N 0 1 277.437 3.993 20 0 CHADMN COC[C@H](N[C@H](C)CC(F)(F)F)c1ccc(Cl)cc1 ZINC000494500694 332476218 /nfs/dbraw/zinc/47/62/18/332476218.db2.gz FMQYYVXMSUTCIK-SKDRFNHKSA-N 0 1 295.732 3.958 20 0 CHADMN C[C@@H]1C[C@@H](Nc2ccccc2CN2CCSCC2)[C@H]1C ZINC000494998402 332498929 /nfs/dbraw/zinc/49/89/29/332498929.db2.gz PENKQOWMAIXNGM-JKIFEVAISA-N 0 1 290.476 3.692 20 0 CHADMN CC1(C)CC[C@H](CNCc2c(F)cccc2Cl)O1 ZINC000495187080 332510990 /nfs/dbraw/zinc/51/09/90/332510990.db2.gz DAVKAHCLAFDKHF-SNVBAGLBSA-N 0 1 271.763 3.526 20 0 CHADMN CC(C)C[C@@H](C)CN[C@H](C)c1nc(C(C)(C)C)no1 ZINC000499624315 332590170 /nfs/dbraw/zinc/59/01/70/332590170.db2.gz HAKMTPCKHVVFQW-VXGBXAGGSA-N 0 1 267.417 3.700 20 0 CHADMN C[C@@H]1CC[C@H](NCc2nc(C3CCCC3)no2)[C@@H](C)C1 ZINC000248556505 334305769 /nfs/dbraw/zinc/30/57/69/334305769.db2.gz KWUYXIRVUYKNBC-DYEKYZERSA-N 0 1 277.412 3.642 20 0 CHADMN C[C@@H]1C[C@]1(NCc1ccncc1)c1ccc(Cl)cc1 ZINC000500463581 332610110 /nfs/dbraw/zinc/61/01/10/332610110.db2.gz QIFFJBVEHIJINF-MLGOLLRUSA-N 0 1 272.779 3.760 20 0 CHADMN Cc1nccc(N[C@H](C)c2cccc(F)c2F)c1Cl ZINC000501985693 332644583 /nfs/dbraw/zinc/64/45/83/332644583.db2.gz DFMRRCUXKVYUHC-MRVPVSSYSA-N 0 1 282.721 3.917 20 0 CHADMN Cc1ccc2c(c1)CCN(c1ccnc(C)c1Cl)C2 ZINC000503569144 332692621 /nfs/dbraw/zinc/69/26/21/332692621.db2.gz OCUMNOZEVMEMDX-UHFFFAOYSA-N 0 1 272.779 3.915 20 0 CHADMN Cc1nccc(N[C@@H]2CCCc3c(O)cccc32)c1Cl ZINC000503581103 332693265 /nfs/dbraw/zinc/69/32/65/332693265.db2.gz JHZBLZLBNCKRCO-CYBMUJFWSA-N 0 1 288.778 3.660 20 0 CHADMN CCc1cccc(CC(=O)Nc2cccc(Cl)c2O)c1 ZINC000503731856 332695822 /nfs/dbraw/zinc/69/58/22/332695822.db2.gz VFZFFMZYAQZHGM-UHFFFAOYSA-N 0 1 289.762 3.789 20 0 CHADMN CCCCN(CCCC)Cc1csc(COC)n1 ZINC000505355887 332738624 /nfs/dbraw/zinc/73/86/24/332738624.db2.gz OCPTZVLFANACHR-UHFFFAOYSA-N 0 1 270.442 3.692 20 0 CHADMN CCC(C)(C)OCCN[C@@H](C)c1cccc(F)c1F ZINC000308715868 332748158 /nfs/dbraw/zinc/74/81/58/332748158.db2.gz BDHAGCKQBXNSBH-NSHDSACASA-N 0 1 271.351 3.821 20 0 CHADMN CC[C@H](CC(=O)Nc1cc(C(C)=O)ccc1O)C(C)C ZINC000512582762 332973909 /nfs/dbraw/zinc/97/39/09/332973909.db2.gz OVQMNOBUBNWLGG-GFCCVEGCSA-N 0 1 277.364 3.606 20 0 CHADMN CC(C)=CCNCc1ccc(Sc2ccccn2)o1 ZINC000513171938 333006794 /nfs/dbraw/zinc/00/67/94/333006794.db2.gz DFATZHPKYUOFKF-UHFFFAOYSA-N 0 1 274.389 3.882 20 0 CHADMN CCc1ccc([C@@H]2CCCN(Cc3ncc(C)cn3)C2)cc1 ZINC000513392084 333016996 /nfs/dbraw/zinc/01/69/96/333016996.db2.gz KSLOFASUGWBHRI-GOSISDBHSA-N 0 1 295.430 3.727 20 0 CHADMN COC(=O)c1ccc(C[N@@H+](C)C/C(C)=C/c2ccccc2)o1 ZINC000513435592 333018899 /nfs/dbraw/zinc/01/88/99/333018899.db2.gz VPEULTYFRFEOQG-SDNWHVSQSA-N 0 1 299.370 3.602 20 0 CHADMN COC(=O)c1ccc(CN(C)C/C(C)=C/c2ccccc2)o1 ZINC000513435592 333018900 /nfs/dbraw/zinc/01/89/00/333018900.db2.gz VPEULTYFRFEOQG-SDNWHVSQSA-N 0 1 299.370 3.602 20 0 CHADMN COc1ccccc1CCN(C)Cc1ccc(F)cc1F ZINC000513461929 333021225 /nfs/dbraw/zinc/02/12/25/333021225.db2.gz RDPNGSQATHFCSW-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN Cc1ccnc([C@@H](C)NCc2ccc(Cl)s2)c1 ZINC000513660753 333030096 /nfs/dbraw/zinc/03/00/96/333030096.db2.gz KRUXKJUBJBQBTN-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN CC[C@@H](F)CN[C@@H](C)c1ccc(Br)s1 ZINC000308526149 333033797 /nfs/dbraw/zinc/03/37/97/333033797.db2.gz QSMQHUZWMGZFAA-JGVFFNPUSA-N 0 1 280.206 3.909 20 0 CHADMN Cc1nc2ccccn2c1CN1CCc2ccccc2[C@H]1C ZINC000513703194 333033939 /nfs/dbraw/zinc/03/39/39/333033939.db2.gz RMVIHKAZSGYHKQ-OAHLLOKOSA-N 0 1 291.398 3.762 20 0 CHADMN CCCCCN(Cc1cncn1C)Cc1ccc(F)cc1 ZINC000177002688 333051874 /nfs/dbraw/zinc/05/18/74/333051874.db2.gz CTWDFVURPVICLX-UHFFFAOYSA-N 0 1 289.398 3.752 20 0 CHADMN CC(C)CCN(CCC(C)C)Cc1ncnn1C(C)(C)C ZINC000513961776 333055024 /nfs/dbraw/zinc/05/50/24/333055024.db2.gz KOGSZFTXMNJFPU-UHFFFAOYSA-N 0 1 294.487 3.927 20 0 CHADMN CCCCOCCN[C@@H](C)c1c(F)cccc1Cl ZINC000310917117 333062358 /nfs/dbraw/zinc/06/23/58/333062358.db2.gz GNMOEPCMPDRBMN-NSHDSACASA-N 0 1 273.779 3.946 20 0 CHADMN C[C@@H](c1cccc(Br)c1)N1CCCO[C@@H](C)C1 ZINC000177959876 333065933 /nfs/dbraw/zinc/06/59/33/333065933.db2.gz IEUPCCAHTWKCIG-RYUDHWBXSA-N 0 1 298.224 3.621 20 0 CHADMN C[C@@H](NC1CCCCC1)c1nc(Cc2ccccc2)no1 ZINC000178361237 333071448 /nfs/dbraw/zinc/07/14/48/333071448.db2.gz ACNNIJATZPAKDZ-CYBMUJFWSA-N 0 1 285.391 3.644 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H]1C)c1nc(Cc2ccccc2)no1 ZINC000178637931 333076281 /nfs/dbraw/zinc/07/62/81/333076281.db2.gz MHIXTBGFVYMGDU-IJEWVQPXSA-N 0 1 299.418 3.890 20 0 CHADMN Cc1cccc2nc(CCC(=O)Nc3ccccc3C)[nH]c21 ZINC000178848118 333077949 /nfs/dbraw/zinc/07/79/49/333077949.db2.gz CUCPPUQIYXEBIG-UHFFFAOYSA-N 0 1 293.370 3.751 20 0 CHADMN Cc1ccccc1[C@H](C)N(Cc1ccn(C)n1)CC(C)C ZINC000516794079 333082835 /nfs/dbraw/zinc/08/28/35/333082835.db2.gz RGKKLDKQPJMAQI-INIZCTEOSA-N 0 1 285.435 3.948 20 0 CHADMN CCOc1ccc(CN(C)Cc2cccc(O)c2)cc1F ZINC000516835413 333083584 /nfs/dbraw/zinc/08/35/84/333083584.db2.gz IVTGDFSVPPGTBV-UHFFFAOYSA-N 0 1 289.350 3.562 20 0 CHADMN CC(C)CC[C@H]1CCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000516975548 333088550 /nfs/dbraw/zinc/08/85/50/333088550.db2.gz AWTIYWFZBZIQKT-MRXNPFEDSA-N 0 1 289.419 3.828 20 0 CHADMN Cc1nccc(NCc2cccc3cccnc32)c1Cl ZINC000336841327 335120605 /nfs/dbraw/zinc/12/06/05/335120605.db2.gz RMVCPQHZCNOWTI-UHFFFAOYSA-N 0 1 283.762 3.626 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccc(CC)cc2)C1 ZINC000520841604 333097777 /nfs/dbraw/zinc/09/77/77/333097777.db2.gz XMURZJGQVRLWEX-DLBZAZTESA-N 0 1 289.419 3.682 20 0 CHADMN CC(C)c1cc(Sc2nc(-c3ccccc3)n[nH]2)ncn1 ZINC000517639545 333104629 /nfs/dbraw/zinc/10/46/29/333104629.db2.gz FYNQUHRUXXGKDK-UHFFFAOYSA-N 0 1 297.387 3.536 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000218026628 333125865 /nfs/dbraw/zinc/12/58/65/333125865.db2.gz BPGVEJIYNOVDDH-GDBMZVCRSA-N 0 1 273.376 3.539 20 0 CHADMN CCc1ccc(CNCc2ccc(Cl)o2)s1 ZINC000218218627 333127608 /nfs/dbraw/zinc/12/76/08/333127608.db2.gz VXPMTXRJSJJHNM-UHFFFAOYSA-N 0 1 255.770 3.847 20 0 CHADMN c1ccc2c(c1)COC[C@@H]2NCc1cccc2cccnc21 ZINC000336864931 335122239 /nfs/dbraw/zinc/12/22/39/335122239.db2.gz SKWHLCAYGQXCOO-SFHVURJKSA-N 0 1 290.366 3.596 20 0 CHADMN C[C@H](c1cnccn1)N(C)Cc1cccc2ccccc21 ZINC000184451976 333128797 /nfs/dbraw/zinc/12/87/97/333128797.db2.gz VUSYNLJVIFBYLC-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN OCC[C@H](NC/C=C/c1ccc(Cl)cc1)c1ccco1 ZINC000184511516 333129269 /nfs/dbraw/zinc/12/92/69/333129269.db2.gz JWDATJTUKKFRTQ-KZTTYJGESA-N 0 1 291.778 3.660 20 0 CHADMN CCc1cc(C(=O)N(CC)C[C@H](CC)c2ccccc2)n[nH]1 ZINC000185123676 333135824 /nfs/dbraw/zinc/13/58/24/333135824.db2.gz WINDVMXVJZTGDN-AWEZNQCLSA-N 0 1 299.418 3.628 20 0 CHADMN C[C@H](c1ccccn1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000185332212 333138812 /nfs/dbraw/zinc/13/88/12/333138812.db2.gz PXWFHUZPQAIMAB-OLZOCXBDSA-N 0 1 288.341 3.910 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@@H](O)C2CCCCC2)cs1 ZINC000186313900 333158418 /nfs/dbraw/zinc/15/84/18/333158418.db2.gz NLHMOYIHIXSQFM-IUODEOHRSA-N 0 1 296.480 3.858 20 0 CHADMN CC[C@H](Cc1ccccc1)N(C)Cc1cscn1 ZINC000172996751 335125677 /nfs/dbraw/zinc/12/56/77/335125677.db2.gz OKAUGFUALCQQBV-OAHLLOKOSA-N 0 1 260.406 3.596 20 0 CHADMN Cc1ccc2c(c1)nc(CNC/C=C/c1ccccc1)n2C ZINC000187589101 333172907 /nfs/dbraw/zinc/17/29/07/333172907.db2.gz DXSBZXXJKFDGTG-RMKNXTFCSA-N 0 1 291.398 3.685 20 0 CHADMN CCCC[C@@H](C)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000521680932 333183894 /nfs/dbraw/zinc/18/38/94/333183894.db2.gz JBXFWYRWXKRHDV-SNVBAGLBSA-N 0 1 270.336 3.907 20 0 CHADMN C[C@H](NCCOC(F)(F)F)c1ccc(F)cc1Cl ZINC000189227995 333186633 /nfs/dbraw/zinc/18/66/33/333186633.db2.gz SPEZRJUUZZKDMW-ZETCQYMHSA-N 0 1 285.668 3.666 20 0 CHADMN COCCCN(Cc1ccccc1)Cc1ccccc1F ZINC000521818818 333189923 /nfs/dbraw/zinc/18/99/23/333189923.db2.gz MGLNNWHHSOJTFH-UHFFFAOYSA-N 0 1 287.378 3.864 20 0 CHADMN CCc1cccc(CN(CC)Cc2ccccn2)c1 ZINC000189543946 333194806 /nfs/dbraw/zinc/19/48/06/333194806.db2.gz KWZCWRRCCRNXFM-UHFFFAOYSA-N 0 1 254.377 3.666 20 0 CHADMN Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c(C)c1 ZINC000521873559 333195033 /nfs/dbraw/zinc/19/50/33/333195033.db2.gz BXANTRNSYHOINI-UHOFOFEASA-N 0 1 289.419 3.715 20 0 CHADMN Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000521873558 333195062 /nfs/dbraw/zinc/19/50/62/333195062.db2.gz BXANTRNSYHOINI-RCBQFDQVSA-N 0 1 289.419 3.715 20 0 CHADMN Cc1ccc2ccccc2c1C[N@@H+](CC(=O)[O-])C1CCC1 ZINC000521905573 333197684 /nfs/dbraw/zinc/19/76/84/333197684.db2.gz XGZBFTXNWCZKPQ-UHFFFAOYSA-N 0 1 283.371 3.587 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCSC[C@@H](C)C1 ZINC000190484789 333207506 /nfs/dbraw/zinc/20/75/06/333207506.db2.gz LRANGJSLVTWLJS-QWRGUYRKSA-N 0 1 271.376 3.711 20 0 CHADMN Cc1cncc(CN[C@@H](C)c2csc(Cl)c2)c1 ZINC000191398169 333219306 /nfs/dbraw/zinc/21/93/06/333219306.db2.gz DXEUWTWFFZINBZ-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN C[C@H](N[C@@H]1CCCC(C)(C)C1)c1nc(C(C)(C)C)no1 ZINC000191569246 333221603 /nfs/dbraw/zinc/22/16/03/333221603.db2.gz QXDMSSXSTCQJLQ-NWDGAFQWSA-N 0 1 279.428 3.987 20 0 CHADMN COc1ccc(CN2CCS[C@H](C)CC2)cc1Cl ZINC000192184985 333231833 /nfs/dbraw/zinc/23/18/33/333231833.db2.gz PACJQIVGLMINME-LLVKDONJSA-N 0 1 285.840 3.676 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cnn2ccccc12 ZINC000337680852 335128912 /nfs/dbraw/zinc/12/89/12/335128912.db2.gz DPWDLLZHUWLIIQ-CQSZACIVSA-N 0 1 295.386 3.502 20 0 CHADMN COC[C@@H](NC/C(C)=C/c1ccccc1)c1ccc(C)o1 ZINC000192691385 333237768 /nfs/dbraw/zinc/23/77/68/333237768.db2.gz LDNATJKGFOFWID-GWKQRERASA-N 0 1 285.387 3.969 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2COCc3ccccc32)cc1 ZINC000225991415 333244760 /nfs/dbraw/zinc/24/47/60/333244760.db2.gz VEJQYJFRWGDDMF-KBXCAEBGSA-N 0 1 267.372 3.917 20 0 CHADMN CCc1ccc(CN[C@H]2COCc3ccccc32)cc1 ZINC000226013036 333245451 /nfs/dbraw/zinc/24/54/51/333245451.db2.gz UXNDHNGCFSIOEH-SFHVURJKSA-N 0 1 267.372 3.610 20 0 CHADMN CCCCCN(Cc1nnc(CC)n1C)[C@H](C)CCC ZINC000195111854 333245810 /nfs/dbraw/zinc/24/58/10/333245810.db2.gz PTBZNSPENWFTGU-CQSZACIVSA-N 0 1 280.460 3.558 20 0 CHADMN Cc1ncc(CN(C)[C@H](C)c2ccccc2C)s1 ZINC000193495115 333251467 /nfs/dbraw/zinc/25/14/67/333251467.db2.gz DPWMZKKEYVIFNM-GFCCVEGCSA-N 0 1 260.406 3.953 20 0 CHADMN Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c(C)c1 ZINC000226419843 333260321 /nfs/dbraw/zinc/26/03/21/333260321.db2.gz KRZJLRYDZUBYTE-HOTGVXAUSA-N 0 1 289.419 3.860 20 0 CHADMN CC[C@@H](C)[N@@H+](C)Cc1cnc(-c2ccco2)s1 ZINC000194331959 333269115 /nfs/dbraw/zinc/26/91/15/333269115.db2.gz LWMODUQBEBVWRR-SNVBAGLBSA-N 0 1 250.367 3.633 20 0 CHADMN COC(=O)c1ccc([C@@H](C)N[C@@H](C)c2cccc(C)c2)o1 ZINC000227349524 333281364 /nfs/dbraw/zinc/28/13/64/333281364.db2.gz UTQXHLNMEYLPFE-QWHCGFSZSA-N 0 1 287.359 3.786 20 0 CHADMN CC(C)(C)C[C@@H](O)CNCc1c(Cl)cccc1Cl ZINC000227373227 333281754 /nfs/dbraw/zinc/28/17/54/333281754.db2.gz RHOYNSIFUKXEDZ-SNVBAGLBSA-N 0 1 290.234 3.880 20 0 CHADMN CCCCN1C(=O)N=NC1SC[C@@H](C)c1ccccc1 ZINC000522574166 333290693 /nfs/dbraw/zinc/29/06/93/333290693.db2.gz PHKWTHLJKAMNHG-GFCCVEGCSA-N 0 1 291.420 3.680 20 0 CHADMN C[C@H](NC(c1cccs1)c1cccs1)c1cn[nH]c1 ZINC000229628221 333306864 /nfs/dbraw/zinc/30/68/64/333306864.db2.gz DOHKDZGYSUEOIV-JTQLQIEISA-N 0 1 289.429 3.973 20 0 CHADMN C[C@@H](CNCc1csc(C(C)(C)C)n1)c1nccs1 ZINC000230693561 333320981 /nfs/dbraw/zinc/32/09/81/333320981.db2.gz LGQCTKLUEWEIPW-JTQLQIEISA-N 0 1 295.477 3.790 20 0 CHADMN C[C@H](O)C[C@H]1CCCCN1Cc1cc(Cl)ccc1F ZINC000231218796 333324328 /nfs/dbraw/zinc/32/43/28/333324328.db2.gz NIXARXLSLWGRFW-SMDDNHRTSA-N 0 1 285.790 3.605 20 0 CHADMN C[C@@H](C(=O)OC(C)(C)C)N(C)CCCCc1ccccc1 ZINC000523436309 333326858 /nfs/dbraw/zinc/32/68/58/333326858.db2.gz LRTCRJUCKFDONY-HNNXBMFYSA-N 0 1 291.435 3.671 20 0 CHADMN Cc1ccc(CCSc2nc(-c3cccnc3)n[nH]2)cc1 ZINC000524031603 333352231 /nfs/dbraw/zinc/35/22/31/333352231.db2.gz JJWVSUWOOZSKDN-UHFFFAOYSA-N 0 1 296.399 3.510 20 0 CHADMN C[C@H]1CCCC[C@H]1CC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000524405651 333361681 /nfs/dbraw/zinc/36/16/81/333361681.db2.gz HOVOINSVNVFBIG-STQMWFEESA-N 0 1 298.390 3.627 20 0 CHADMN CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCC1 ZINC000524595596 333367968 /nfs/dbraw/zinc/36/79/68/333367968.db2.gz OVAIUXXJBUNIKB-UHFFFAOYSA-N 0 1 291.782 3.764 20 0 CHADMN Cc1ccc(-c2noc(CN3CC[C@H](CC(C)C)C3)n2)cc1 ZINC000524791544 333388251 /nfs/dbraw/zinc/38/82/51/333388251.db2.gz RTHXBKBOFIAYLP-OAHLLOKOSA-N 0 1 299.418 3.913 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3ccccc3c2)C[C@@H](C)O1 ZINC000524811820 333389141 /nfs/dbraw/zinc/38/91/41/333389141.db2.gz RYZSOFNSMWMPNL-RDTXWAMCSA-N 0 1 269.388 3.839 20 0 CHADMN CC(C)c1cccc(NC(=O)CN2CCC[C@@H](C)[C@H]2C)c1 ZINC000525122185 333399903 /nfs/dbraw/zinc/39/99/03/333399903.db2.gz ZFLCZSOYJSDZRD-HUUCEWRRSA-N 0 1 288.435 3.869 20 0 CHADMN CC(C)[C@@H](NCC1CC(C)(C)C1)c1nc(C2CC2)no1 ZINC000528436890 333437610 /nfs/dbraw/zinc/43/76/10/333437610.db2.gz DQQUXZIINBVORD-CYBMUJFWSA-N 0 1 277.412 3.670 20 0 CHADMN OC[C@H](NCc1ccc(C2CCC2)cc1)c1ccc(F)cc1 ZINC000576006541 335141262 /nfs/dbraw/zinc/14/12/62/335141262.db2.gz FEASJBZLIYCKDE-IBGZPJMESA-N 0 1 299.389 3.916 20 0 CHADMN CCOc1ncccc1CN[C@H](C)c1cccc(C)c1 ZINC000173887037 335142765 /nfs/dbraw/zinc/14/27/65/335142765.db2.gz UQRCNZCPBYDFMU-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN CC[C@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@H](CC)O1 ZINC000529610446 333500987 /nfs/dbraw/zinc/50/09/87/333500987.db2.gz DSLQTKHVNDYWBM-HOTGVXAUSA-N 0 1 272.392 3.557 20 0 CHADMN CC(C)C1(C[NH2+]Cc2cccc([O-])c2Cl)CC1 ZINC000328313323 333516611 /nfs/dbraw/zinc/51/66/11/333516611.db2.gz BRRFYMUHWFYISQ-UHFFFAOYSA-N 0 1 253.773 3.571 20 0 CHADMN [O-]c1cccc(C[NH2+]CCC2=CCCC2)c1Cl ZINC000328318889 333517173 /nfs/dbraw/zinc/51/71/73/333517173.db2.gz DKEILTJOLZKUSO-UHFFFAOYSA-N 0 1 251.757 3.636 20 0 CHADMN Cc1cc(OCc2cccnc2C(F)(F)F)cc(C)n1 ZINC000530161315 333526054 /nfs/dbraw/zinc/52/60/54/333526054.db2.gz PKHDNVRGMQFVSR-UHFFFAOYSA-N 0 1 282.265 3.691 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccc1F)c1ccc2c(c1)OCO2 ZINC000037508342 333534714 /nfs/dbraw/zinc/53/47/14/333534714.db2.gz OVKHUEHSUXMQBX-RYUDHWBXSA-N 0 1 287.334 3.966 20 0 CHADMN CN[C@@H](c1ccccc1Cl)c1ccccc1OC ZINC000038078448 333544572 /nfs/dbraw/zinc/54/45/72/333544572.db2.gz PCXQTPIKGIURFE-HNNXBMFYSA-N 0 1 261.752 3.657 20 0 CHADMN COc1ccc(CN[C@@H](C)c2oc3ccccc3c2C)cn1 ZINC000124096365 333556061 /nfs/dbraw/zinc/55/60/61/333556061.db2.gz DNZORFHPUCABBD-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN CC[C@@H](C(=O)Nc1cccc(-c2ccccc2)c1)N(C)C ZINC000576061570 335147579 /nfs/dbraw/zinc/14/75/79/335147579.db2.gz BBVJPTXFXRCTEA-KRWDZBQOSA-N 0 1 282.387 3.632 20 0 CHADMN CC[C@@H](NCc1nc(CCC(C)C)no1)C(C)(C)C ZINC000538392426 333587987 /nfs/dbraw/zinc/58/79/87/333587987.db2.gz FCRHWXSGNHFIDL-GFCCVEGCSA-N 0 1 267.417 3.573 20 0 CHADMN Cc1cccc(CN2CCC[C@H]2c2ccccn2)c1F ZINC000576072816 335149374 /nfs/dbraw/zinc/14/93/74/335149374.db2.gz ICMCCSIRYZIPGY-INIZCTEOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(-n3cccn3)cc2)o1 ZINC000174436228 335154952 /nfs/dbraw/zinc/15/49/52/335154952.db2.gz QDFMJTJVICAIIR-CQSZACIVSA-N 0 1 281.359 3.625 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](CO)c2ccccc2OC)cc1 ZINC000539082597 333656129 /nfs/dbraw/zinc/65/61/29/333656129.db2.gz ARFGIDZXOOUUDU-KDOFPFPSSA-N 0 1 299.414 3.642 20 0 CHADMN COc1cc([C@H](C)NCCF)ccc1OCCC(C)C ZINC000539279072 333663703 /nfs/dbraw/zinc/66/37/03/333663703.db2.gz KFHRAYPVWSFXFT-ZDUSSCGKSA-N 0 1 283.387 3.740 20 0 CHADMN CC[C@H](C(=O)Nc1cc(C(C)=O)ccc1O)c1ccccc1 ZINC000539748778 333689429 /nfs/dbraw/zinc/68/94/29/333689429.db2.gz YKLJKRCFWVWGBS-HNNXBMFYSA-N 0 1 297.354 3.727 20 0 CHADMN CC[C@H](N[C@@H](CO)c1ccccc1C)c1ccccc1F ZINC000539812865 333691916 /nfs/dbraw/zinc/69/19/16/333691916.db2.gz WKXKSDHDCFQCJR-ROUUACIJSA-N 0 1 287.378 3.908 20 0 CHADMN Cc1ccc(CN2CCC(c3ccccc3F)CC2)nc1 ZINC000539821558 333693607 /nfs/dbraw/zinc/69/36/07/333693607.db2.gz XTKYMKUKBPNXGR-UHFFFAOYSA-N 0 1 284.378 3.909 20 0 CHADMN Cc1ccsc1[C@@H](CO)N[C@@H](C)c1ccc(F)cc1F ZINC000540155086 333714294 /nfs/dbraw/zinc/71/42/94/333714294.db2.gz IAMKLDKEWOQVPX-IINYFYTJSA-N 0 1 297.370 3.719 20 0 CHADMN CC(C)=CCN1CC(c2nc3ccccc3s2)C1 ZINC000540239869 333722507 /nfs/dbraw/zinc/72/25/07/333722507.db2.gz FFMWFOKAGLEWGH-UHFFFAOYSA-N 0 1 258.390 3.662 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccc(OC)cc1C ZINC000540953913 333755301 /nfs/dbraw/zinc/75/53/01/333755301.db2.gz UIRWWNFSDITKDR-CQSZACIVSA-N 0 1 284.403 3.812 20 0 CHADMN C[C@@H](O)C[C@@H](C)Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000541192088 333764663 /nfs/dbraw/zinc/76/46/63/333764663.db2.gz YONLYFXDZQJRMK-NXEZZACHSA-N 0 1 298.308 3.825 20 0 CHADMN C[C@@]1(NCc2c(F)cccc2Cl)CCO[C@@H]1C1CC1 ZINC000541378272 333774434 /nfs/dbraw/zinc/77/44/34/333774434.db2.gz OKKGJOBGAYHTBY-HUUCEWRRSA-N 0 1 283.774 3.526 20 0 CHADMN C[C@]1(NCc2c(F)cccc2Cl)CCO[C@@H]1C1CC1 ZINC000541378265 333774464 /nfs/dbraw/zinc/77/44/64/333774464.db2.gz OKKGJOBGAYHTBY-CABCVRRESA-N 0 1 283.774 3.526 20 0 CHADMN CC(C)c1noc(CN[C@H]2C[C@H](C)CC[C@@H]2C(C)C)n1 ZINC000541611050 333784054 /nfs/dbraw/zinc/78/40/54/333784054.db2.gz FGZZXBHVUQRAHN-MCIONIFRSA-N 0 1 279.428 3.743 20 0 CHADMN CC(C)CCCN[C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000541916045 333800354 /nfs/dbraw/zinc/80/03/54/333800354.db2.gz LMSTVDHLZFQBKQ-KRWDZBQOSA-N 0 1 289.398 3.674 20 0 CHADMN CC[C@@H]1CCC[C@@H](CNC2(c3noc(C)n3)CCCC2)C1 ZINC000542247381 333818328 /nfs/dbraw/zinc/81/83/28/333818328.db2.gz JDOVIXFJSHNWKX-HUUCEWRRSA-N 0 1 291.439 3.953 20 0 CHADMN CCOc1cccc(CN[C@]2(C)CCCc3ccccc32)n1 ZINC000542257060 333818950 /nfs/dbraw/zinc/81/89/50/333818950.db2.gz FRAKGLXTNLETTF-LJQANCHMSA-N 0 1 296.414 3.822 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1cccc(F)c1)CO2 ZINC000130744635 333868895 /nfs/dbraw/zinc/86/88/95/333868895.db2.gz CIOOHRHYVHZOTP-MLGOLLRUSA-N 0 1 271.335 3.918 20 0 CHADMN Cc1cc(C)c(NC(=O)c2c(O)cccc2F)c(C)c1 ZINC000132519081 333982667 /nfs/dbraw/zinc/98/26/67/333982667.db2.gz NYVXFDHOWIBVFB-UHFFFAOYSA-N 0 1 273.307 3.709 20 0 CHADMN CC[C@@H](N[C@@H](C)c1c(C)cccc1C)c1ccn(C)n1 ZINC000545519837 333986222 /nfs/dbraw/zinc/98/62/22/333986222.db2.gz PYUKYBNAYXIQFZ-LSDHHAIUSA-N 0 1 271.408 3.839 20 0 CHADMN CCc1ccc(CNCc2cccc(OC(F)F)c2)o1 ZINC000132895741 334009577 /nfs/dbraw/zinc/00/95/77/334009577.db2.gz OEUBPWFAXSEBNF-UHFFFAOYSA-N 0 1 281.302 3.733 20 0 CHADMN Cc1cccc(CNCc2cc3c(ccc(C)c3C)[nH]2)n1 ZINC000546035443 334013896 /nfs/dbraw/zinc/01/38/96/334013896.db2.gz RLMYZVSGYUKXRO-UHFFFAOYSA-N 0 1 279.387 3.778 20 0 CHADMN C[C@H]1CCN(Cc2ccn(C3CCCC3)n2)CC1(C)C ZINC000546124216 334015646 /nfs/dbraw/zinc/01/56/46/334015646.db2.gz NNFPMULZYPGXDU-AWEZNQCLSA-N 0 1 275.440 3.866 20 0 CHADMN CC[C@H](CC(F)(F)F)NCc1ccc(F)cc1F ZINC000546178416 334018359 /nfs/dbraw/zinc/01/83/59/334018359.db2.gz BOQQDNGCXDLKAZ-SNVBAGLBSA-N 0 1 267.241 3.785 20 0 CHADMN CCOC[C@H](C)NCc1c(Cl)oc2ccccc21 ZINC000133188404 334024694 /nfs/dbraw/zinc/02/46/94/334024694.db2.gz YMLGNZGKDAGADZ-JTQLQIEISA-N 0 1 267.756 3.601 20 0 CHADMN Cc1cc(-c2noc(C[C@@H]3CC[C@@H](C)C3)n2)cc2nc[nH]c21 ZINC000546439618 334032754 /nfs/dbraw/zinc/03/27/54/334032754.db2.gz XVBKQLLNVCUVDI-ZYHUDNBSSA-N 0 1 296.374 3.900 20 0 CHADMN C[C@@H]1CCN(Cc2nnc(C3CC3)o2)CC12CCCCC2 ZINC000546610054 334040144 /nfs/dbraw/zinc/04/01/44/334040144.db2.gz YTYNLOLFTSJTQI-CYBMUJFWSA-N 0 1 289.423 3.739 20 0 CHADMN CCCCc1noc(CN[C@@H]2CCC[C@H]2c2ccccc2)n1 ZINC000133588862 334046732 /nfs/dbraw/zinc/04/67/32/334046732.db2.gz AMOSJVWTWSFTMZ-JKSUJKDBSA-N 0 1 299.418 3.838 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1CCCCCC1 ZINC000075608049 334046922 /nfs/dbraw/zinc/04/69/22/334046922.db2.gz LGNJXSMVMUCMMM-NSHDSACASA-N 0 1 277.393 3.735 20 0 CHADMN c1cnc2ccc(CN(Cc3ccncc3)C3CC3)cc2c1 ZINC000546735986 334049071 /nfs/dbraw/zinc/04/90/71/334049071.db2.gz WEQGMCOVSLRCFR-UHFFFAOYSA-N 0 1 289.382 3.794 20 0 CHADMN C[C@@H](O)CCN(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000075777717 334050721 /nfs/dbraw/zinc/05/07/21/334050721.db2.gz QDBBRJMZGQOSCA-ZJUUUORDSA-N 0 1 276.207 3.757 20 0 CHADMN CN(Cc1coc(-c2ccc(F)c(F)c2)n1)C1CCC1 ZINC000075840738 334054400 /nfs/dbraw/zinc/05/44/00/334054400.db2.gz ZDQRRWCVTZLKNV-UHFFFAOYSA-N 0 1 278.302 3.604 20 0 CHADMN CN(Cc1cnc(C2CCCCC2)s1)C[C@H]1CCCO1 ZINC000546972378 334058911 /nfs/dbraw/zinc/05/89/11/334058911.db2.gz NJEQTUBBAZRCMO-CQSZACIVSA-N 0 1 294.464 3.802 20 0 CHADMN Cc1ccccc1-c1nc(CN2C[C@@H]3CCCC[C@H]3C2)no1 ZINC000134090310 334079823 /nfs/dbraw/zinc/07/98/23/334079823.db2.gz WJCFQKLKUKPJJU-GJZGRUSLSA-N 0 1 297.402 3.667 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CCC2(C1)CCCCC2 ZINC000076482070 334082450 /nfs/dbraw/zinc/08/24/50/334082450.db2.gz ZOPYAGFFNLCYIL-UHFFFAOYSA-N 0 1 293.794 3.842 20 0 CHADMN COc1cccc2cc([C@H](C)NCc3ccoc3)oc21 ZINC000134283458 334086752 /nfs/dbraw/zinc/08/67/52/334086752.db2.gz GBTJWCAWUJNWQE-NSHDSACASA-N 0 1 271.316 3.885 20 0 CHADMN CCOc1ccc(C(C)=O)cc1COc1cc(C)nc(C)c1 ZINC000547492198 334093834 /nfs/dbraw/zinc/09/38/34/334093834.db2.gz GVJAUXSDSSOLHD-UHFFFAOYSA-N 0 1 299.370 3.879 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNCCOCc2ccccc2)o1 ZINC000237659881 334094291 /nfs/dbraw/zinc/09/42/91/334094291.db2.gz HVSNGNZOWYCBRV-WMLDXEAASA-N 0 1 285.387 3.709 20 0 CHADMN Cc1cccc([N+](=O)[O-])c1N[C@@H]1CN(C)Cc2ccccc21 ZINC000547633030 334104501 /nfs/dbraw/zinc/10/45/01/334104501.db2.gz VSGJJNSCQYZPNP-OAHLLOKOSA-N 0 1 297.358 3.502 20 0 CHADMN COc1ccc(Br)cc1C[N@H+]1C[C@@H](C)C[C@H]1C ZINC000134970816 334110026 /nfs/dbraw/zinc/11/00/26/334110026.db2.gz MMIVEIHYOYBNCN-WDEREUQCSA-N 0 1 298.224 3.688 20 0 CHADMN COc1ccc(Br)cc1CN1C[C@@H](C)C[C@H]1C ZINC000134970816 334110027 /nfs/dbraw/zinc/11/00/27/334110027.db2.gz MMIVEIHYOYBNCN-WDEREUQCSA-N 0 1 298.224 3.688 20 0 CHADMN CCc1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)cc1 ZINC000077674471 334111976 /nfs/dbraw/zinc/11/19/76/334111976.db2.gz ZJQUNVXDSLHPSA-UHFFFAOYSA-N 0 1 283.306 3.517 20 0 CHADMN COc1cccc(F)c1[C@H](C)NCCOc1ccccc1 ZINC000135091478 334115160 /nfs/dbraw/zinc/11/51/60/334115160.db2.gz CRVTXGFCUAVEGP-ZDUSSCGKSA-N 0 1 289.350 3.564 20 0 CHADMN CC[C@@H](NCc1occc1C)c1ccccc1OC ZINC000135146062 334117763 /nfs/dbraw/zinc/11/77/63/334117763.db2.gz LCXFSRKZGDLGFQ-CQSZACIVSA-N 0 1 259.349 3.838 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN(C)CCC1CC1 ZINC000135293836 334123922 /nfs/dbraw/zinc/12/39/22/334123922.db2.gz LRRRNFZOZBLODM-UHFFFAOYSA-N 0 1 276.405 3.943 20 0 CHADMN Clc1ccc(CN2CCC[C@H](OCC3CC3)C2)cc1 ZINC000547970424 334132317 /nfs/dbraw/zinc/13/23/17/334132317.db2.gz JSMVTWNNDQQLLE-INIZCTEOSA-N 0 1 279.811 3.731 20 0 CHADMN C[C@@H]1CCC[C@H](N(C)Cc2nc(-c3cccs3)no2)C1 ZINC000078529287 334135378 /nfs/dbraw/zinc/13/53/78/334135378.db2.gz LSIKMPAEKANARI-NEPJUHHUSA-N 0 1 291.420 3.809 20 0 CHADMN CCC(CC)NC(=O)[C@@H](C)N1CCC[C@@H]1c1cccs1 ZINC000078624363 334137503 /nfs/dbraw/zinc/13/75/03/334137503.db2.gz TZXNGFNIQBWLEF-TZMCWYRMSA-N 0 1 294.464 3.578 20 0 CHADMN C[C@@H](C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1)C1CC1 ZINC000175260459 335178420 /nfs/dbraw/zinc/17/84/20/335178420.db2.gz OGVXSUIHEALENB-SNVBAGLBSA-N 0 1 295.342 3.808 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@@H](C)c2ccccc21 ZINC000136209504 334149684 /nfs/dbraw/zinc/14/96/84/334149684.db2.gz XXZDQKOZMNKMQV-LLVKDONJSA-N 0 1 283.375 3.605 20 0 CHADMN CC(C)(O)[C@H]1CCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000136244782 334150478 /nfs/dbraw/zinc/15/04/78/334150478.db2.gz XHJYISHGYFDXPK-CYBMUJFWSA-N 0 1 288.218 3.729 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCCC3CC3)n2)cc1 ZINC000548477112 334159231 /nfs/dbraw/zinc/15/92/31/334159231.db2.gz NEXPEQIIDLJHNV-UHFFFAOYSA-N 0 1 259.378 3.672 20 0 CHADMN CN(CC1CCC1)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000080027360 334165279 /nfs/dbraw/zinc/16/52/79/334165279.db2.gz FDIVRCCAPKEQSX-UHFFFAOYSA-N 0 1 288.174 3.571 20 0 CHADMN CC[C@H](C)[C@H](C)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000080466802 334171889 /nfs/dbraw/zinc/17/18/89/334171889.db2.gz OUBFGEQEPKWVJW-IHRRRGAJSA-N 0 1 287.407 3.746 20 0 CHADMN COc1ccc(CN(C)Cc2cccc(Cl)c2)cc1O ZINC000080961860 334175547 /nfs/dbraw/zinc/17/55/47/334175547.db2.gz BHXHCHARKWSNEU-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN CCN(C(=O)c1cccc2nc(C)[nH]c21)c1ccccc1C ZINC000549085732 334185049 /nfs/dbraw/zinc/18/50/49/334185049.db2.gz BZNZKCMFPLXFKC-UHFFFAOYSA-N 0 1 293.370 3.846 20 0 CHADMN CC[C@@H](NC[C@@H]1CCC2(CCCC2)O1)c1nc(C)cs1 ZINC000549131413 334185774 /nfs/dbraw/zinc/18/57/74/334185774.db2.gz DHVFATAFSINWIL-UONOGXRCSA-N 0 1 294.464 3.984 20 0 CHADMN CC[C@H](NC[C@H]1CCC2(CCCC2)O1)c1nc(C)cs1 ZINC000549131412 334185897 /nfs/dbraw/zinc/18/58/97/334185897.db2.gz DHVFATAFSINWIL-KGLIPLIRSA-N 0 1 294.464 3.984 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1sccc1Cl ZINC000549389447 334192216 /nfs/dbraw/zinc/19/22/16/334192216.db2.gz GOQNVANQXHDYIR-VIFPVBQESA-N 0 1 263.859 3.975 20 0 CHADMN Cc1ccc2ccccc2c1CN1CCOCC12CC2 ZINC000549404243 334192466 /nfs/dbraw/zinc/19/24/66/334192466.db2.gz VPLYQRZKLZRFOE-UHFFFAOYSA-N 0 1 267.372 3.513 20 0 CHADMN CCOC[C@H]1CCCN([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000245470466 334195673 /nfs/dbraw/zinc/19/56/73/334195673.db2.gz MXFHMIHLPCZFHP-KGLIPLIRSA-N 0 1 294.439 3.782 20 0 CHADMN C[C@@H](CN1CCOC[C@@H]1c1cccn1C)C1CCCCC1 ZINC000549556445 334197798 /nfs/dbraw/zinc/19/77/98/334197798.db2.gz YLZVBUYLDRDHJH-MAUKXSAKSA-N 0 1 290.451 3.615 20 0 CHADMN CCc1ccc(C[N@H+]2Cc3ccccc3OC(C)(C)C2)nc1 ZINC000549718049 334202885 /nfs/dbraw/zinc/20/28/85/334202885.db2.gz SNVSWJQWMXSQMX-UHFFFAOYSA-N 0 1 296.414 3.817 20 0 CHADMN CCc1ccc(CN2Cc3ccccc3OC(C)(C)C2)nc1 ZINC000549718049 334202886 /nfs/dbraw/zinc/20/28/86/334202886.db2.gz SNVSWJQWMXSQMX-UHFFFAOYSA-N 0 1 296.414 3.817 20 0 CHADMN F[C@]1(c2cccc(Cl)c2)CCN(C[C@@H]2CCSC2)C1 ZINC000549821280 334205776 /nfs/dbraw/zinc/20/57/76/334205776.db2.gz RLOXSAOIRZXKDM-SWLSCSKDSA-N 0 1 299.842 3.964 20 0 CHADMN CCc1ccc(CN2CCC[C@@H]2c2cccc(C)n2)nc1 ZINC000549866447 334207340 /nfs/dbraw/zinc/20/73/40/334207340.db2.gz WGQIATSZHGXPQM-GOSISDBHSA-N 0 1 281.403 3.685 20 0 CHADMN CC(C)C[C@H]1CCCCN1C(=O)c1[nH]nc2ccccc21 ZINC000138331079 334207998 /nfs/dbraw/zinc/20/79/98/334207998.db2.gz LZLWWUWBAPGHCR-CYBMUJFWSA-N 0 1 285.391 3.604 20 0 CHADMN COc1ccc(Cl)c(CN2CCCO[C@@H](C(C)C)C2)c1 ZINC000550187766 334215677 /nfs/dbraw/zinc/21/56/77/334215677.db2.gz KUYADPMGRZQTNY-MRXNPFEDSA-N 0 1 297.826 3.596 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1cc(C(F)(F)F)n[nH]1 ZINC000550262404 334217710 /nfs/dbraw/zinc/21/77/10/334217710.db2.gz FWFAOAACBVDPHW-UHFFFAOYSA-N 0 1 297.324 3.762 20 0 CHADMN CCOc1c(Cl)cccc1CN[C@@H]1CCC[C@@H]1F ZINC000550322407 334220035 /nfs/dbraw/zinc/22/00/35/334220035.db2.gz ACLVECTYNZSESH-QWHCGFSZSA-N 0 1 271.763 3.719 20 0 CHADMN Cc1ccc(OC(F)F)c(CN[C@@H]2CCC[C@@H]2F)c1 ZINC000550321436 334220048 /nfs/dbraw/zinc/22/00/48/334220048.db2.gz XUMBTPVPUVGROZ-NWDGAFQWSA-N 0 1 273.298 3.577 20 0 CHADMN C[C@@H]1CN(Cc2cccc3nccn32)[C@H]1c1ccccc1 ZINC000245848269 334221700 /nfs/dbraw/zinc/22/17/00/334221700.db2.gz LUBWCBXZHDMSRO-RDTXWAMCSA-N 0 1 277.371 3.527 20 0 CHADMN Cc1ccccc1N1CCN(C/C=C\c2ccccc2)CC1 ZINC000550756229 334228421 /nfs/dbraw/zinc/22/84/21/334228421.db2.gz LEQOBQVLJZIDNB-XFFZJAGNSA-N 0 1 292.426 3.830 20 0 CHADMN CC(C)[C@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000550872352 334231294 /nfs/dbraw/zinc/23/12/94/334231294.db2.gz ZVJHSKPLGOYTQY-MRXNPFEDSA-N 0 1 297.402 3.727 20 0 CHADMN C[C@@H](N[C@H]1CCC[C@H]1F)c1cnn(C2CCCC2)c1 ZINC000550925049 334233522 /nfs/dbraw/zinc/23/35/22/334233522.db2.gz GZQLZFQMFGWFOO-DFBGVHRSSA-N 0 1 265.376 3.539 20 0 CHADMN CC(F)(F)CN[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000551240804 334242442 /nfs/dbraw/zinc/24/24/42/334242442.db2.gz HVDADNQAGKTBPH-KGLIPLIRSA-N 0 1 253.336 3.643 20 0 CHADMN Cc1ccccc1[C@H]1CN(CCCCCF)[C@@H](C)CO1 ZINC000551387174 334248729 /nfs/dbraw/zinc/24/87/29/334248729.db2.gz WGBALTVQALHNGM-DOTOQJQBSA-N 0 1 279.399 3.897 20 0 CHADMN Cc1cc(-c2noc([C@H](C)C(C)(F)F)n2)cc2nc[nH]c21 ZINC000551383132 334248797 /nfs/dbraw/zinc/24/87/97/334248797.db2.gz GZKNQAIOEKVWRN-QMMMGPOBSA-N 0 1 292.289 3.680 20 0 CHADMN C[C@H](c1nc(Cc2ccccc2)no1)N1CCC[C@H](C)CC1 ZINC000246537073 334263796 /nfs/dbraw/zinc/26/37/96/334263796.db2.gz CNZNLFYWSZNLFE-LSDHHAIUSA-N 0 1 299.418 3.843 20 0 CHADMN C[C@@H]1CCN(Cc2noc(-c3ccsc3)n2)C[C@@H](C)C1 ZINC000246648019 334266182 /nfs/dbraw/zinc/26/61/82/334266182.db2.gz KAQVHWFRKCVFAK-NEPJUHHUSA-N 0 1 291.420 3.666 20 0 CHADMN CC[C@H](C)[C@@H](C)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000247160046 334276735 /nfs/dbraw/zinc/27/67/35/334276735.db2.gz RYYWSLVKTAJGDA-YNEHKIRRSA-N 0 1 273.380 3.822 20 0 CHADMN Cc1ccccc1[C@H](C)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000247170429 334277023 /nfs/dbraw/zinc/27/70/23/334277023.db2.gz SMSPFIYRIQQBTE-HNAYVOBHSA-N 0 1 297.398 3.835 20 0 CHADMN Cc1cccc(-c2noc(CN3CCC[C@@H]4CCC[C@H]43)n2)c1 ZINC000247512769 334283603 /nfs/dbraw/zinc/28/36/03/334283603.db2.gz MQDAAPADWRUDJO-GOEBONIOSA-N 0 1 297.402 3.810 20 0 CHADMN Cc1cc(F)ccc1CN1CCOC2(CCCCC2)C1 ZINC000552064519 334284296 /nfs/dbraw/zinc/28/42/96/334284296.db2.gz WRKITXKXNRRBOS-UHFFFAOYSA-N 0 1 277.383 3.669 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CCCOC(C)C)[C@@H](C)CO1 ZINC000247544983 334285243 /nfs/dbraw/zinc/28/52/43/334285243.db2.gz PMJLIYIQRHQMEK-WMZOPIPTSA-N 0 1 291.435 3.572 20 0 CHADMN C[C@@H](CN1CCO[C@@H](c2cccs2)C1)c1ccccc1 ZINC000247625527 334286795 /nfs/dbraw/zinc/28/67/95/334286795.db2.gz UGOYTQLZFVWFGT-GOEBONIOSA-N 0 1 287.428 3.925 20 0 CHADMN C[C@@H](N[C@@H](C)Cc1ccsc1)c1c(F)cncc1F ZINC000552093000 334288550 /nfs/dbraw/zinc/28/85/50/334288550.db2.gz RQBPWWVPHANXII-VHSXEESVSA-N 0 1 282.359 3.703 20 0 CHADMN C[C@H](Cc1ccsc1)N[C@@H](C)c1c(F)cncc1F ZINC000552093001 334288629 /nfs/dbraw/zinc/28/86/29/334288629.db2.gz RQBPWWVPHANXII-ZJUUUORDSA-N 0 1 282.359 3.703 20 0 CHADMN Cc1cc(C)c(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1C ZINC000552147228 334295148 /nfs/dbraw/zinc/29/51/48/334295148.db2.gz UAIKUHKQLGZLHW-OALUTQOASA-N 0 1 285.431 3.755 20 0 CHADMN CC(C)c1noc([C@H](C)N[C@@H]2CCC[C@H](C)[C@@H]2C)n1 ZINC000248151365 334295999 /nfs/dbraw/zinc/29/59/99/334295999.db2.gz BLWBEPJMRPORNJ-ZDEQEGDKSA-N 0 1 265.401 3.668 20 0 CHADMN CCc1ccc(-c2ccc(CN3CC4(C3)CCOC4)o2)cc1 ZINC000552159710 334297041 /nfs/dbraw/zinc/29/70/41/334297041.db2.gz BNTUWUOCSOWUQK-UHFFFAOYSA-N 0 1 297.398 3.731 20 0 CHADMN C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@](C)(O)C1 ZINC000248358262 334298896 /nfs/dbraw/zinc/29/88/96/334298896.db2.gz QOWVVJJNLGPTEE-ZANVPECISA-N 0 1 274.191 3.511 20 0 CHADMN Cc1ncsc1C[N@H+](C)C[C@H]1CCCC[C@H]1C ZINC000248486935 334303907 /nfs/dbraw/zinc/30/39/07/334303907.db2.gz LLKPDCSDTRAHCY-DGCLKSJQSA-N 0 1 252.427 3.710 20 0 CHADMN C[C@H](C(=O)Nc1ccccc1Cl)N1CCCC[C@H](C)C1 ZINC000248578482 334307107 /nfs/dbraw/zinc/30/71/07/334307107.db2.gz UWNKQZWGVYHMRN-QWHCGFSZSA-N 0 1 294.826 3.789 20 0 CHADMN Oc1ccc(Cl)cc1-c1nc([C@@H]2Cc3ccccc32)no1 ZINC000086492406 334310447 /nfs/dbraw/zinc/31/04/47/334310447.db2.gz JJWUBJCMFLJNFX-GFCCVEGCSA-N 0 1 298.729 3.784 20 0 CHADMN C[C@@H](c1cccc2ccccc21)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000086728878 334315440 /nfs/dbraw/zinc/31/54/40/334315440.db2.gz LPOKXFAUXPAJSM-ZFWWWQNUSA-N 0 1 283.371 3.697 20 0 CHADMN CCc1nocc1CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000552316769 334316239 /nfs/dbraw/zinc/31/62/39/334316239.db2.gz LNRLZBUZHNGNRC-CYBMUJFWSA-N 0 1 290.794 3.880 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN1CCC[C@H]1CF ZINC000552392440 334323182 /nfs/dbraw/zinc/32/31/82/334323182.db2.gz RCLPXLKKRZKLKR-ZDUSSCGKSA-N 0 1 255.764 3.891 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCSC[C@H](C)C1 ZINC000249068649 334326612 /nfs/dbraw/zinc/32/66/12/334326612.db2.gz QAWHENNYJMVNPS-GHMZBOCLSA-N 0 1 271.376 3.711 20 0 CHADMN CCO[C@H](C)c1noc(CN(CC)[C@H]2CCCC[C@@H]2C)n1 ZINC000249325055 334332093 /nfs/dbraw/zinc/33/20/93/334332093.db2.gz GSXSBMGYWCQHIO-MJBXVCDLSA-N 0 1 295.427 3.568 20 0 CHADMN CC[C@H]1CC[C@H](C(=O)NCc2nc3ccc(C)cc3[nH]2)CC1 ZINC000249397455 334333232 /nfs/dbraw/zinc/33/32/32/334333232.db2.gz UBQWCUOBKVQNLO-HDJSIYSDSA-N 0 1 299.418 3.704 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@H](C)c2c(F)cccc2F)C12CCC2 ZINC000250526935 334345715 /nfs/dbraw/zinc/34/57/15/334345715.db2.gz RCXSQGXNBZBMRN-KCPJHIHWSA-N 0 1 295.373 3.963 20 0 CHADMN C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCCCCC(=O)[O-] ZINC000572533151 334354611 /nfs/dbraw/zinc/35/46/11/334354611.db2.gz URVLMNKCZLWJKI-LLVKDONJSA-N 0 1 285.334 3.603 20 0 CHADMN CC[C@H](N[C@@H](C)c1c(F)cccc1F)[C@H]1CCCO1 ZINC000090859476 334368782 /nfs/dbraw/zinc/36/87/82/334368782.db2.gz WWZHUTIVRPEUHE-LEWSCRJBSA-N 0 1 269.335 3.573 20 0 CHADMN C[C@@H]1CCC[C@H](C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])C1 ZINC000251913265 334371680 /nfs/dbraw/zinc/37/16/80/334371680.db2.gz UEALCGBHARAXJZ-JKJDWNRSSA-N 0 1 279.424 3.530 20 0 CHADMN CCC(CC)[C@@H](NCc1ccn(C)n1)c1cccs1 ZINC000553422082 334383563 /nfs/dbraw/zinc/38/35/63/334383563.db2.gz SXEPMGVBJBUJSS-OAHLLOKOSA-N 0 1 277.437 3.749 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H](C)c3cccc(F)c3)ccc12 ZINC000091833823 334384371 /nfs/dbraw/zinc/38/43/71/334384371.db2.gz XZWVJAWQMNIXMK-SNVBAGLBSA-N 0 1 297.333 3.753 20 0 CHADMN CS[C@@H]1CCCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000092064143 334393612 /nfs/dbraw/zinc/39/36/12/334393612.db2.gz YTRUFWMHHKVZBC-MRXNPFEDSA-N 0 1 289.444 3.680 20 0 CHADMN Cc1nnc(CN[C@H](CC2CCCCC2)C(C)(C)C)o1 ZINC000553661062 334394735 /nfs/dbraw/zinc/39/47/35/334394735.db2.gz JRUNOBFQICKREH-CQSZACIVSA-N 0 1 279.428 3.853 20 0 CHADMN COc1ccc2nc(SCC(=O)CC(C)(C)C)[nH]c2c1 ZINC000553717974 334396405 /nfs/dbraw/zinc/39/64/05/334396405.db2.gz QEYJLERMPMUDQY-UHFFFAOYSA-N 0 1 292.404 3.669 20 0 CHADMN Cc1ccc2nc(NC(=O)Cc3c(C)cccc3C)[nH]c2c1 ZINC000553812193 334399425 /nfs/dbraw/zinc/39/94/25/334399425.db2.gz QGTCUGFXFNHGQC-UHFFFAOYSA-N 0 1 293.370 3.669 20 0 CHADMN CCCCO[C@H]1C[C@@H](NCc2csc(CC)n2)C1(C)C ZINC000553833935 334400183 /nfs/dbraw/zinc/40/01/83/334400183.db2.gz BMLXDRMHLZEXOC-KGLIPLIRSA-N 0 1 296.480 3.779 20 0 CHADMN CCOc1cccc(CNC(C)(C)c2ccccc2C)n1 ZINC000555612149 334484493 /nfs/dbraw/zinc/48/44/93/334484493.db2.gz JXYHRROWUKQFOT-UHFFFAOYSA-N 0 1 284.403 3.814 20 0 CHADMN F[C@@H]1CCC[C@@H]1NCc1ccc(C(F)(F)F)s1 ZINC000555644666 334486069 /nfs/dbraw/zinc/48/60/69/334486069.db2.gz JLEQCQLZPSQZPV-BDAKNGLRSA-N 0 1 267.291 3.747 20 0 CHADMN CC[C@@H]1CCC[C@H](NCc2noc(-c3cccs3)n2)C1 ZINC000564530363 334511181 /nfs/dbraw/zinc/51/11/81/334511181.db2.gz KKKRDMJCMUPNKI-NEPJUHHUSA-N 0 1 291.420 3.857 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)N[C@@H]2CCC2(C)C)n1 ZINC000566429768 334648367 /nfs/dbraw/zinc/64/83/67/334648367.db2.gz ZMNFWELFFRYSEF-TZMCWYRMSA-N 0 1 285.391 3.884 20 0 CHADMN COc1cc(C)cc(CN[C@@H](C)c2ccccc2F)c1 ZINC000155008555 334710766 /nfs/dbraw/zinc/71/07/66/334710766.db2.gz QRNLHTJEXYJYKU-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN Cc1cc(Br)ccc1CNC1(CF)CCC1 ZINC000567853605 334768666 /nfs/dbraw/zinc/76/86/66/334768666.db2.gz HPCCDGUTGZQPKM-UHFFFAOYSA-N 0 1 286.188 3.739 20 0 CHADMN FCC1(NCc2ccc(OC(F)F)c(Cl)c2)CCC1 ZINC000567853511 334768696 /nfs/dbraw/zinc/76/86/96/334768696.db2.gz DWHFEMABGHXRBI-UHFFFAOYSA-N 0 1 293.716 3.923 20 0 CHADMN CCO[C@H]1C[C@H](NCc2csc(CC)n2)C12CCCC2 ZINC000336890638 334920158 /nfs/dbraw/zinc/92/01/58/334920158.db2.gz NPPUTBYFSDITMO-KBPBESRZSA-N 0 1 294.464 3.533 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@H]1CCc2sc(Cl)cc21 ZINC000576479832 335210295 /nfs/dbraw/zinc/21/02/95/335210295.db2.gz RONXOYRCSZDRKV-CABZTGNLSA-N 0 1 293.823 3.838 20 0 CHADMN CCc1cccc(CN[C@H]2COCc3ccccc32)c1 ZINC000576589538 335223261 /nfs/dbraw/zinc/22/32/61/335223261.db2.gz RNRLJDPYWDWYPW-SFHVURJKSA-N 0 1 267.372 3.610 20 0 CHADMN CSc1ccc(N(C)Cc2ccc3nc[nH]c3c2)cc1 ZINC000576675225 335233425 /nfs/dbraw/zinc/23/34/25/335233425.db2.gz LECWWPHWKFFFLT-UHFFFAOYSA-N 0 1 283.400 3.921 20 0 CHADMN C[C@@H]1CCC[C@@H](CC[N@@H+](CC(=O)[O-])Cc2ccccc2)C1 ZINC000576710771 335238522 /nfs/dbraw/zinc/23/85/22/335238522.db2.gz TZWXEGZOWJZSAN-CVEARBPZSA-N 0 1 289.419 3.790 20 0 CHADMN Cc1cc(C[N@H+](C)C[C@@H](C)c2ccccc2)oc1C(=O)[O-] ZINC000576761236 335245019 /nfs/dbraw/zinc/24/50/19/335245019.db2.gz FHDBXSSCRWCTTJ-CYBMUJFWSA-N 0 1 287.359 3.522 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2occc2C(=O)[O-])CC12CCCCC2 ZINC000580574619 335288096 /nfs/dbraw/zinc/28/80/96/335288096.db2.gz DNFRCHRJLKVLDS-CYBMUJFWSA-N 0 1 291.391 3.770 20 0 CHADMN C[C@H]1CN(Cc2cc(C(C)(C)C)on2)C(C)(C)C1 ZINC000580603346 335297417 /nfs/dbraw/zinc/29/74/17/335297417.db2.gz DVIRAWNXHJCLLU-LLVKDONJSA-N 0 1 250.386 3.593 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](C)[C@H]1C)c1nc(-c2cccc(F)c2)no1 ZINC000577091440 335298480 /nfs/dbraw/zinc/29/84/80/335298480.db2.gz PMWMWDOYGRJJSG-BBGACYKPSA-N 0 1 289.354 3.571 20 0 CHADMN O=C(Cc1ccc(F)c(F)c1)Nc1cccc(Cl)c1O ZINC000176564071 335304765 /nfs/dbraw/zinc/30/47/65/335304765.db2.gz DUJHDDRKWGUISE-UHFFFAOYSA-N 0 1 297.688 3.505 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN(C(C)C)C1CC1 ZINC000192793960 335305101 /nfs/dbraw/zinc/30/51/01/335305101.db2.gz LAGCFRKXXVNWDA-UHFFFAOYSA-N 0 1 275.392 3.661 20 0 CHADMN CCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000192796520 335305573 /nfs/dbraw/zinc/30/55/73/335305573.db2.gz HCSIFUKKZUZJCB-HNNXBMFYSA-N 0 1 282.387 3.536 20 0 CHADMN CC[C@H](N[C@H](CO)c1ccccc1OC)c1ccsc1 ZINC000577262112 335331331 /nfs/dbraw/zinc/33/13/31/335331331.db2.gz NBONLORCLIGKTI-LSDHHAIUSA-N 0 1 291.416 3.531 20 0 CHADMN COc1ccccc1[C@H](CO)N[C@@H]1C[C@@H](C)c2ccccc21 ZINC000577298493 335337095 /nfs/dbraw/zinc/33/70/95/335337095.db2.gz KFJITGZHMUUGBB-XWIAVFTESA-N 0 1 297.398 3.567 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1nccn1Cc1ccccc1 ZINC000577307958 335337535 /nfs/dbraw/zinc/33/75/35/335337535.db2.gz BBEBNHWILWLTDK-MRXNPFEDSA-N 0 1 285.435 3.942 20 0 CHADMN Cc1ccc(F)c(C[N@@H+](C)[C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000577522234 335364513 /nfs/dbraw/zinc/36/45/13/335364513.db2.gz ZVXCLCNCLHYVQR-LLVKDONJSA-N 0 1 291.322 3.618 20 0 CHADMN Cc1ccc(F)c(C[N@H+](C)[C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000577522234 335364514 /nfs/dbraw/zinc/36/45/14/335364514.db2.gz ZVXCLCNCLHYVQR-LLVKDONJSA-N 0 1 291.322 3.618 20 0 CHADMN Clc1ccc2onc(NCCC[C@H]3CCCCO3)c2c1 ZINC000577551088 335367729 /nfs/dbraw/zinc/36/77/29/335367729.db2.gz AAWQUYZWNSVBRF-GFCCVEGCSA-N 0 1 294.782 3.664 20 0 CHADMN CCCC[C@@H](CC)CC[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000577589552 335374311 /nfs/dbraw/zinc/37/43/11/335374311.db2.gz PLWIZNRVXKVTSC-HUUCEWRRSA-N 0 1 269.429 3.780 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000577617712 335379157 /nfs/dbraw/zinc/37/91/57/335379157.db2.gz LCEWYYUBYNYYCS-INIZCTEOSA-N 0 1 291.366 3.558 20 0 CHADMN Cc1noc([C@@H](C)[N@H+](C)C[C@H](C)CCc2ccccc2)n1 ZINC000577626789 335381735 /nfs/dbraw/zinc/38/17/35/335381735.db2.gz SPFKRAPWRSAQNF-ZIAGYGMSSA-N 0 1 287.407 3.640 20 0 CHADMN Cc1noc([C@@H](C)N(C)C[C@H](C)CCc2ccccc2)n1 ZINC000577626789 335381736 /nfs/dbraw/zinc/38/17/36/335381736.db2.gz SPFKRAPWRSAQNF-ZIAGYGMSSA-N 0 1 287.407 3.640 20 0 CHADMN CCc1nc(C)c(CN(CC)Cc2ccc(C)cc2)o1 ZINC000577689085 335389050 /nfs/dbraw/zinc/38/90/50/335389050.db2.gz VNIYPEYJSZQWCK-UHFFFAOYSA-N 0 1 272.392 3.876 20 0 CHADMN CCCC1CCC(C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000577751979 335397582 /nfs/dbraw/zinc/39/75/82/335397582.db2.gz YESWLZIINWQITM-LBDPXKHJSA-N 0 1 281.440 3.636 20 0 CHADMN CCc1oc(C(=O)Nc2cccc(Cl)c2O)cc1C ZINC000177999922 335407957 /nfs/dbraw/zinc/40/79/57/335407957.db2.gz DWFQAUROTNFLJM-UHFFFAOYSA-N 0 1 279.723 3.762 20 0 CHADMN C[C@H](NCc1ccc(N2CCC(C)CC2)nc1)c1ccoc1 ZINC000178136644 335418951 /nfs/dbraw/zinc/41/89/51/335418951.db2.gz SJPOJKCBIFQXPL-HNNXBMFYSA-N 0 1 299.418 3.762 20 0 CHADMN CC[C@H](N[C@@H](CO)c1ccsc1)c1ccc(OC)cc1 ZINC000349418668 335465764 /nfs/dbraw/zinc/46/57/64/335465764.db2.gz QBKBCNQYSZVAQP-HOTGVXAUSA-N 0 1 291.416 3.531 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccsc1)c1cc2c(s1)CCC2 ZINC000349424689 335466651 /nfs/dbraw/zinc/46/66/51/335466651.db2.gz UHCYNONEWLKCAW-ZWNOBZJWSA-N 0 1 293.457 3.683 20 0 CHADMN C[C@H](NCCOC(C)(C)C)c1c(F)cccc1Cl ZINC000181735386 335781533 /nfs/dbraw/zinc/78/15/33/335781533.db2.gz XFMCJAWELUHGLL-JTQLQIEISA-N 0 1 273.779 3.945 20 0 CHADMN CC[C@@H](NCc1c(F)cccc1Cl)[C@H]1CCCO1 ZINC000182357817 335813170 /nfs/dbraw/zinc/81/31/70/335813170.db2.gz DOTJLCPQFJZIRL-ZIAGYGMSSA-N 0 1 271.763 3.526 20 0 CHADMN CCc1cc(=O)[nH]c(CN[C@H](c2ccccc2C)C(C)C)n1 ZINC000183207449 335879132 /nfs/dbraw/zinc/87/91/32/335879132.db2.gz DTBOBNUATRCQAN-SFHVURJKSA-N 0 1 299.418 3.540 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1nc(C(C)(C)C)no1 ZINC000184486096 335927175 /nfs/dbraw/zinc/92/71/75/335927175.db2.gz WSCXQQDPXWYHNJ-MROQNXINSA-N 0 1 279.428 3.842 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](CC)Cc1ccc(Cl)s1 ZINC000581136712 336013581 /nfs/dbraw/zinc/01/35/81/336013581.db2.gz ARCPSUFUPNFRHH-NSHDSACASA-N 0 1 289.828 3.867 20 0 CHADMN CC[C@@H]1CC[C@@H]1N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000581217923 336025991 /nfs/dbraw/zinc/02/59/91/336025991.db2.gz NMNSQOIYMNEQKG-WDMOLILDSA-N 0 1 289.354 3.715 20 0 CHADMN CCC[N@@H+](CCCCCF)[C@H](C)C(=O)Nc1ccccc1 ZINC000581301244 336042029 /nfs/dbraw/zinc/04/20/29/336042029.db2.gz NFOZIBLSRDRVLR-OAHLLOKOSA-N 0 1 294.414 3.865 20 0 CHADMN Oc1cc(Cl)ccc1-c1nc(CC2CCCC2)no1 ZINC000381979830 336079618 /nfs/dbraw/zinc/07/96/18/336079618.db2.gz DNARNOPJLWQYHO-UHFFFAOYSA-N 0 1 278.739 3.828 20 0 CHADMN CC1=CC[N@@H+](Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000382502227 336091608 /nfs/dbraw/zinc/09/16/08/336091608.db2.gz QVRRJYVWAALXOB-UHFFFAOYSA-N 0 1 287.384 3.752 20 0 CHADMN Cc1cnc([C@@H](C)N[C@H]2C=CCCCCC2)s1 ZINC000383132621 336104726 /nfs/dbraw/zinc/10/47/26/336104726.db2.gz VHXBNBUUAHZUFG-OLZOCXBDSA-N 0 1 250.411 3.991 20 0 CHADMN Cc1cc(CN[C@@H](Cc2ccncc2)c2cccs2)on1 ZINC000581602133 336109959 /nfs/dbraw/zinc/10/99/59/336109959.db2.gz FDOYBTOQXBTVHK-HNNXBMFYSA-N 0 1 299.399 3.513 20 0 CHADMN CSc1ccc2c(c1)[C@@H](NCc1cc(C)no1)CCC2 ZINC000581607832 336111463 /nfs/dbraw/zinc/11/14/63/336111463.db2.gz YLPDLNYKNBIWHZ-INIZCTEOSA-N 0 1 288.416 3.872 20 0 CHADMN CC[N@@H+](Cc1ccc(OC)c(C)c1)[C@H](C)c1cccnc1 ZINC000581634762 336115300 /nfs/dbraw/zinc/11/53/00/336115300.db2.gz DHQCYLHSSMQHPF-OAHLLOKOSA-N 0 1 284.403 3.982 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2ccc3c(c2)OCO3)c1F ZINC000384625289 336128096 /nfs/dbraw/zinc/12/80/96/336128096.db2.gz JDWRQTHJGKZGFY-LBPRGKRZSA-N 0 1 287.334 3.714 20 0 CHADMN CC[C@@H](C(=O)Nc1ccccc1CCC(C)C)N(C)C ZINC000581713117 336134988 /nfs/dbraw/zinc/13/49/88/336134988.db2.gz DSARYVNECMZEGS-INIZCTEOSA-N 0 1 276.424 3.554 20 0 CHADMN O=C([O-])c1cccc2c1CC[N@@H+](CCC1=CCCCC1)C2 ZINC000385142109 336140741 /nfs/dbraw/zinc/14/07/41/336140741.db2.gz IQDQTDIPBFLCSH-UHFFFAOYSA-N 0 1 285.387 3.633 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](CCCCCC(=O)[O-])Cc1ccccc1 ZINC000385211365 336142227 /nfs/dbraw/zinc/14/22/27/336142227.db2.gz XCKZFIWIEFPXEX-HNNXBMFYSA-N 0 1 289.419 3.932 20 0 CHADMN C[C@H](O)[C@@H](NCc1cccc(C2CC2)c1)c1ccccc1F ZINC000581888341 336160474 /nfs/dbraw/zinc/16/04/74/336160474.db2.gz BIWAKBJBIZBHJL-ORAYPTAESA-N 0 1 299.389 3.915 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000386634785 336176719 /nfs/dbraw/zinc/17/67/19/336176719.db2.gz HFXBSXKJFPUDCO-ZDUSSCGKSA-N 0 1 291.370 3.881 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(-c2ccccc2F)no1 ZINC000386633907 336176734 /nfs/dbraw/zinc/17/67/34/336176734.db2.gz HAWQZSZFXAUYFM-GFCCVEGCSA-N 0 1 277.343 3.572 20 0 CHADMN Cc1cnn(C)c1CN(C1CC1)[C@H]1CCCc2ccccc21 ZINC000581970181 336181144 /nfs/dbraw/zinc/18/11/44/336181144.db2.gz PNFYAOMWEUBGID-SFHVURJKSA-N 0 1 295.430 3.771 20 0 CHADMN CC[C@H](C)[N@@H+](Cc1occc1C(=O)[O-])Cc1ccccc1 ZINC000387242810 336190493 /nfs/dbraw/zinc/19/04/93/336190493.db2.gz OYAWEVWDUYOKLE-ZDUSSCGKSA-N 0 1 287.359 3.779 20 0 CHADMN CCc1ccc([C@H]2CC[N@H+]([C@@H](CC(C)C)C(=O)[O-])C2)cc1 ZINC000582014802 336192556 /nfs/dbraw/zinc/19/25/56/336192556.db2.gz KHRJJFMPGPJKAY-IRXDYDNUSA-N 0 1 289.419 3.538 20 0 CHADMN CCCCN(C)Cc1coc(-c2cccs2)n1 ZINC000061757665 520421595 /nfs/dbraw/zinc/42/15/95/520421595.db2.gz FAGSYRFGSCNUBE-UHFFFAOYSA-N 0 1 250.367 3.635 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccc(C)o2)cc1 ZINC000034993623 521008920 /nfs/dbraw/zinc/00/89/20/521008920.db2.gz OACMTWCJKFNEJZ-CYBMUJFWSA-N 0 1 259.349 3.838 20 0 CHADMN C[C@H]1CC[C@@]2(CCN(Cc3ncc(C4CC4)o3)C2)C1 ZINC000334889698 533732089 /nfs/dbraw/zinc/73/20/89/533732089.db2.gz BXARAPNGJDSMSZ-BLLLJJGKSA-N 0 1 260.381 3.564 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356108423 533740736 /nfs/dbraw/zinc/74/07/36/533740736.db2.gz ITXCVUFOBFCULE-UWVGGRQHSA-N 0 1 273.298 3.784 20 0 CHADMN Cc1cc(Cl)ccc1CN1CCOCC2(CCC2)C1 ZINC000344633291 533778646 /nfs/dbraw/zinc/77/86/46/533778646.db2.gz GHRJETMGZNPLDG-UHFFFAOYSA-N 0 1 279.811 3.651 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc3cccc(C)n23)s1 ZINC000353284915 533879469 /nfs/dbraw/zinc/87/94/69/533879469.db2.gz FPUDWVIWABROFZ-UHFFFAOYSA-N 0 1 285.416 3.645 20 0 CHADMN Cc1ccc(CN2CCC(F)(c3ccccn3)CC2)c(C)n1 ZINC000334624965 533916110 /nfs/dbraw/zinc/91/61/10/533916110.db2.gz RZYUWACLXPKKIE-UHFFFAOYSA-N 0 1 299.393 3.554 20 0 CHADMN CCc1ncc(CNCc2cccc(CSC)c2)s1 ZINC000275630483 522554960 /nfs/dbraw/zinc/55/49/60/522554960.db2.gz QGOSDLDEXMJPNW-UHFFFAOYSA-N 0 1 292.473 3.858 20 0 CHADMN Cc1ccc(CN2CCc3ccc(O)cc3C2)c(C)c1 ZINC000351965870 533956442 /nfs/dbraw/zinc/95/64/42/533956442.db2.gz WNMZLCAGJHJSQG-UHFFFAOYSA-N 0 1 267.372 3.567 20 0 CHADMN Cc1ccc(CN2CCc3ccc(F)cc3C2)s1 ZINC000353494381 533955847 /nfs/dbraw/zinc/95/58/47/533955847.db2.gz ZYIAOCWLVWIVDQ-UHFFFAOYSA-N 0 1 261.365 3.754 20 0 CHADMN Cc1ccc(CN2C[C@@H](C)C[C@H]2c2cccc(F)c2)nn1 ZINC000334878587 533959631 /nfs/dbraw/zinc/95/96/31/533959631.db2.gz GLYPJJPHIQWLNC-SJCJKPOMSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1c[nH]nc1CN(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000356095021 533989360 /nfs/dbraw/zinc/98/93/60/533989360.db2.gz WVCNOHOLIZBYNB-GOSISDBHSA-N 0 1 281.403 3.760 20 0 CHADMN C[C@H](Nc1cc2c(cn1)CCCC2)c1cscn1 ZINC000336031804 534018866 /nfs/dbraw/zinc/01/88/66/534018866.db2.gz JKEGCNVSOWINMM-JTQLQIEISA-N 0 1 259.378 3.590 20 0 CHADMN Cc1cc2cc(CN[C@H](C)c3ccccn3)ccc2[nH]1 ZINC000353797167 534093068 /nfs/dbraw/zinc/09/30/68/534093068.db2.gz QQDHAHUAAWOXEU-CYBMUJFWSA-N 0 1 265.360 3.722 20 0 CHADMN Cc1ccc(CN[C@H]2CCCc3c(O)cccc32)nc1C ZINC000334880822 534091019 /nfs/dbraw/zinc/09/10/19/534091019.db2.gz FOTDZCZJQXQRGP-KRWDZBQOSA-N 0 1 282.387 3.571 20 0 CHADMN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccsc1Cl ZINC000336462952 534125356 /nfs/dbraw/zinc/12/53/56/534125356.db2.gz UNVQZRASWXHMOV-PSASIEDQSA-N 0 1 272.801 3.537 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000332627407 534129715 /nfs/dbraw/zinc/12/97/15/534129715.db2.gz OTNDGWJAVDVSTH-PWSUYJOCSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1ccc(-c2ncc(CN3CCC34CCC4)s2)o1 ZINC000353667486 534216328 /nfs/dbraw/zinc/21/63/28/534216328.db2.gz UQNUIILTCUEVKK-UHFFFAOYSA-N 0 1 274.389 3.840 20 0 CHADMN C[C@@H]([N@@H+](Cc1c[nH]cn1)Cc1ccccc1)C(C)(C)C ZINC000347759099 534286771 /nfs/dbraw/zinc/28/67/71/534286771.db2.gz UHCKPWOIJLEKSB-CQSZACIVSA-N 0 1 271.408 3.847 20 0 CHADMN COC[C@@H](CC(C)C)N[C@H](C)c1c(F)cccc1OC ZINC000483711044 518081468 /nfs/dbraw/zinc/08/14/68/518081468.db2.gz ITFMYDAKZJCBLJ-CHWSQXEVSA-N 0 1 283.387 3.546 20 0 CHADMN COc1c2ccccc2oc1CNCc1ccc(OC)cc1 ZINC000473986197 518127576 /nfs/dbraw/zinc/12/75/76/518127576.db2.gz YOFFRFPOHOMPLE-UHFFFAOYSA-N 0 1 297.354 3.740 20 0 CHADMN Cc1ccn2c(CN3Cc4ccccc4C[C@@H]3C)cnc2c1 ZINC000353667104 534346218 /nfs/dbraw/zinc/34/62/18/534346218.db2.gz SMOOORVUHHOIBU-HNNXBMFYSA-N 0 1 291.398 3.590 20 0 CHADMN C/C(=C\c1ccc(F)cc1)c1nc([C@H](N)CC(C)C)no1 ZINC000339398104 518441672 /nfs/dbraw/zinc/44/16/72/518441672.db2.gz VNZCWBJMUHSTTJ-CFRMROPGSA-N 0 1 289.354 3.815 20 0 CHADMN C/C(=C\c1nc([C@H](N)CC(C)C)no1)c1ccc(F)cc1 ZINC000339395014 518448033 /nfs/dbraw/zinc/44/80/33/518448033.db2.gz RZGHOKQIUFWMDH-CFRMROPGSA-N 0 1 289.354 3.815 20 0 CHADMN C/C(=C\c1nc([C@@H](N)CC(C)C)no1)C(C)(C)C ZINC000339394662 518449621 /nfs/dbraw/zinc/44/96/21/518449621.db2.gz JGSTZMHRWSMEMH-UQSGXBNBSA-N 0 1 251.374 3.565 20 0 CHADMN Cc1ccc2[nH]c(CN[C@@H](CCO)c3ccco3)cc2c1C ZINC000349648484 534358881 /nfs/dbraw/zinc/35/88/81/534358881.db2.gz ZWJKXDDXQLHSJL-KRWDZBQOSA-N 0 1 298.386 3.591 20 0 CHADMN Cc1nc(CNC/C=C/c2ccc(F)c(F)c2)sc1C ZINC000352750109 534384684 /nfs/dbraw/zinc/38/46/84/534384684.db2.gz PMHKCSWPEKPNOK-ONEGZZNKSA-N 0 1 294.370 3.841 20 0 CHADMN Cc1nc(CNC[C@@H]2SCCc3ccccc32)cs1 ZINC000344756402 534386146 /nfs/dbraw/zinc/38/61/46/534386146.db2.gz INBSCWKEZFLOOB-HNNXBMFYSA-N 0 1 290.457 3.572 20 0 CHADMN CC(C)(C)c1ccc(-c2nc(C3(N)CCCC3)no2)cc1 ZINC000041153072 519009094 /nfs/dbraw/zinc/00/90/94/519009094.db2.gz ZZVCYBDWLYXRBJ-UHFFFAOYSA-N 0 1 285.391 3.762 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2csc3ccccc23)n1 ZINC000339390164 519230711 /nfs/dbraw/zinc/23/07/11/519230711.db2.gz ISTSCFJSCGURDT-GFCCVEGCSA-N 0 1 287.388 3.997 20 0 CHADMN CC(C)C[C@@H](N)c1noc(CCCC2CCCC2)n1 ZINC000339387864 519232625 /nfs/dbraw/zinc/23/26/25/519232625.db2.gz PXLCPZYRXQXARI-CYBMUJFWSA-N 0 1 265.401 3.628 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H](C)Cc2ccccc2F)n1 ZINC000339384113 519237075 /nfs/dbraw/zinc/23/70/75/519237075.db2.gz FZFHHQCPXKQBBG-BXUZGUMPSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263571265 519264740 /nfs/dbraw/zinc/26/47/40/519264740.db2.gz JEAANPTXPSMXLT-HNNXBMFYSA-N 0 1 275.392 3.643 20 0 CHADMN C=Cn1cc(CN(C)[C@@H](CC)c2cccc(OC)c2)cn1 ZINC000289994268 519318720 /nfs/dbraw/zinc/31/87/20/519318720.db2.gz CLDZVJTVSWGYIS-KRWDZBQOSA-N 0 1 285.391 3.575 20 0 CHADMN CC(C)(NCc1ccc(Cl)nc1)c1cccc(F)c1 ZINC000083471028 519321635 /nfs/dbraw/zinc/32/16/35/519321635.db2.gz LSRLRMCACVGNGW-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN C=Cn1cc(CN([C@H](C)c2ccccc2)C2CC2)cn1 ZINC000278207499 519322933 /nfs/dbraw/zinc/32/29/33/519322933.db2.gz JVKKWSIJGJLPOU-CQSZACIVSA-N 0 1 267.376 3.709 20 0 CHADMN C=Cn1cc(CN[C@@H](CC)c2ccc(Cl)s2)cn1 ZINC000278945986 519327496 /nfs/dbraw/zinc/32/74/96/519327496.db2.gz YOVHTKVMNAZIET-NSHDSACASA-N 0 1 281.812 3.939 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2CCCc3ccccc32)n1 ZINC000339389224 519378956 /nfs/dbraw/zinc/37/89/56/519378956.db2.gz DTPMBQJAPZZJKR-CABCVRRESA-N 0 1 285.391 3.584 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H](C)OC2CCCCCC2)n1 ZINC000339365508 519381062 /nfs/dbraw/zinc/38/10/62/519381062.db2.gz WHININLHOWXKEF-JSGCOSHPSA-N 0 1 295.427 3.916 20 0 CHADMN CC(C)=CCNCc1csc(-c2ccsc2)n1 ZINC000191627438 519439361 /nfs/dbraw/zinc/43/93/61/519439361.db2.gz AIRRFJODUMRYNB-UHFFFAOYSA-N 0 1 264.419 3.927 20 0 CHADMN CC(C)N(Cc1nc(Cc2ccccc2)no1)C1CCCC1 ZINC000068449334 519663304 /nfs/dbraw/zinc/66/33/04/519663304.db2.gz CBNHQRDGTALTDR-UHFFFAOYSA-N 0 1 299.418 3.813 20 0 CHADMN CC(C)N(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)C(C)C ZINC000299546373 519663837 /nfs/dbraw/zinc/66/38/37/519663837.db2.gz FVJYSSMLYFWWFI-UHFFFAOYSA-N 0 1 293.798 3.608 20 0 CHADMN O=C(CCSc1ccccc1)Nc1ccc2nc[nH]c2c1 ZINC000344454377 534443419 /nfs/dbraw/zinc/44/34/19/534443419.db2.gz WMGNKRPNMWAMFH-UHFFFAOYSA-N 0 1 297.383 3.684 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2cncs2)c1 ZINC000121641466 519747305 /nfs/dbraw/zinc/74/73/05/519747305.db2.gz RBFPZMIEEUHNAS-GHMZBOCLSA-N 0 1 289.404 3.513 20 0 CHADMN CC(C)OCCCN(C)Cc1ncc(-c2ccccc2)o1 ZINC000265818031 519762262 /nfs/dbraw/zinc/76/22/62/519762262.db2.gz AIYKLVODFMDTBD-UHFFFAOYSA-N 0 1 288.391 3.589 20 0 CHADMN CC(C)OC[C@@H](C)NCc1cc(F)c(Cl)cc1F ZINC000337315340 519770893 /nfs/dbraw/zinc/77/08/93/519770893.db2.gz XCZWATZVRVEEAI-SECBINFHSA-N 0 1 277.742 3.521 20 0 CHADMN CC(C)[C@H]1CN(Cc2ccsc2Cl)CCCO1 ZINC000354795489 519826825 /nfs/dbraw/zinc/82/68/25/519826825.db2.gz WUSPJPYUTYEQJD-GFCCVEGCSA-N 0 1 273.829 3.648 20 0 CHADMN CC(C)[C@H]1CN([C@H](C)c2nc3ccccc3o2)CCCO1 ZINC000293098576 519827067 /nfs/dbraw/zinc/82/70/67/519827067.db2.gz KWANWZJYIACMEQ-CZUORRHYSA-N 0 1 288.391 3.636 20 0 CHADMN CC(C)c1n[nH]cc1C(=O)Nc1nc(C2CCC2)cs1 ZINC000278172620 519830687 /nfs/dbraw/zinc/83/06/87/519830687.db2.gz BDOZCXRQESVUDH-UHFFFAOYSA-N 0 1 290.392 3.509 20 0 CHADMN CC(C)c1cc(C(=O)N2CCC[C@H]2c2ccsc2)n[nH]1 ZINC000048780157 519831558 /nfs/dbraw/zinc/83/15/58/519831558.db2.gz KCGZBELTDKHSDP-AWEZNQCLSA-N 0 1 289.404 3.572 20 0 CHADMN CC(C)c1cccc(NC(=O)[C@@](C)(N)c2ccccc2)c1 ZINC000052881372 519842201 /nfs/dbraw/zinc/84/22/01/519842201.db2.gz YLVAYKJLBJLKNX-SFHVURJKSA-N 0 1 282.387 3.623 20 0 CHADMN Cc1noc([C@@H]2CCCN2CC[C@H]2CCC[C@@H](C)C2)n1 ZINC000353574836 534452014 /nfs/dbraw/zinc/45/20/14/534452014.db2.gz MZOIGXSYTRCCSJ-YUELXQCFSA-N 0 1 277.412 3.731 20 0 CHADMN CC(C)c1nc(CN[C@H]2CCC[C@H]2OC(F)F)cs1 ZINC000337289110 519864401 /nfs/dbraw/zinc/86/44/01/519864401.db2.gz LRSVASFYLRXUFQ-WDEREUQCSA-N 0 1 290.379 3.516 20 0 CHADMN CCCN1Cc2cccc(NC(=O)/C=C/c3ccco3)c2C1 ZINC000066515086 519864498 /nfs/dbraw/zinc/86/44/98/519864498.db2.gz JTEQLHBRAOMRKI-CMDGGOBGSA-N 0 1 296.370 3.657 20 0 CHADMN CC(C)c1nn(C)cc1NCc1cnc(-c2ccccc2)[nH]1 ZINC000280291046 519883375 /nfs/dbraw/zinc/88/33/75/519883375.db2.gz MRYFEBWFFFQMKA-UHFFFAOYSA-N 0 1 295.390 3.546 20 0 CHADMN CCOC[C@@H](C)N[C@H](C)c1ccccc1Br ZINC000044688797 520079015 /nfs/dbraw/zinc/07/90/15/520079015.db2.gz MNFHUJSWHZBCKE-GHMZBOCLSA-N 0 1 286.213 3.525 20 0 CHADMN CC(C)n1nccc1CNC(C)(C)c1cccc(F)c1 ZINC000280991934 520106104 /nfs/dbraw/zinc/10/61/04/520106104.db2.gz VCOMLLZFNVSSNU-UHFFFAOYSA-N 0 1 275.371 3.628 20 0 CHADMN CC(C)n1nccc1CNCc1ccc(C(F)F)cc1 ZINC000280008064 520107686 /nfs/dbraw/zinc/10/76/86/520107686.db2.gz UDAZCUNVZYEOSD-UHFFFAOYSA-N 0 1 279.334 3.691 20 0 CHADMN CC(C)n1nccc1CN[C@@H]1CCc2c1cccc2Cl ZINC000279944950 520109249 /nfs/dbraw/zinc/10/92/49/520109249.db2.gz OAIICDRYZPFMKO-MRXNPFEDSA-N 0 1 289.810 3.895 20 0 CHADMN CCOC[C@H](C)NCc1csc(Cl)c1Cl ZINC000309062900 520137761 /nfs/dbraw/zinc/13/77/61/520137761.db2.gz XSSDXAVHJQTKMA-ZETCQYMHSA-N 0 1 268.209 3.570 20 0 CHADMN CCCCCN(C(=O)c1coc(CN)c1)[C@@H](C)CCC ZINC000187531552 520145684 /nfs/dbraw/zinc/14/56/84/520145684.db2.gz TUBBDVZNGFZTJO-ZDUSSCGKSA-N 0 1 280.412 3.559 20 0 CHADMN CCCCC[N@@H+](Cc1ccc(C(=O)[O-])cc1)C(C)C ZINC000044415080 520173813 /nfs/dbraw/zinc/17/38/13/520173813.db2.gz TWOBEOYNFAZGMC-UHFFFAOYSA-N 0 1 263.381 3.785 20 0 CHADMN CCCCC[N@@H+](Cc1nc(=O)c2sccc2[n-]1)C(C)C ZINC000071941628 520177873 /nfs/dbraw/zinc/17/78/73/520177873.db2.gz CYCDVLIOAJGMHT-UHFFFAOYSA-N 0 1 293.436 3.798 20 0 CHADMN CC1(C)CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000072827267 520379677 /nfs/dbraw/zinc/37/96/77/520379677.db2.gz WMCYLQZQIYGVDR-UHFFFAOYSA-N 0 1 291.782 3.622 20 0 CHADMN CCCCN(C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000057832122 520420706 /nfs/dbraw/zinc/42/07/06/520420706.db2.gz GEDRZWHUCCBTRD-UHFFFAOYSA-N 0 1 279.771 3.622 20 0 CHADMN CCCCN(C)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000060992320 520434112 /nfs/dbraw/zinc/43/41/12/520434112.db2.gz JUSCYTUPVVDQQI-CYBMUJFWSA-N 0 1 273.380 3.838 20 0 CHADMN CC1(C)CN(c2ccnc3cc(F)ccc32)CCS1 ZINC000301565744 520494720 /nfs/dbraw/zinc/49/47/20/520494720.db2.gz KLMCNTUVLNYKHS-UHFFFAOYSA-N 0 1 276.380 3.706 20 0 CHADMN CCCOc1ncccc1CN[C@H](C)c1ccccc1 ZINC000129450209 520502704 /nfs/dbraw/zinc/50/27/04/520502704.db2.gz IQIKDMKSWCYETK-CQSZACIVSA-N 0 1 270.376 3.721 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N1CCCc3occc3C1)CC2 ZINC000344241246 534503289 /nfs/dbraw/zinc/50/32/89/534503289.db2.gz WVWYMXKGZIKLMX-INIZCTEOSA-N 0 1 271.335 3.854 20 0 CHADMN CCCCOCCNCc1ccc(CSC(F)F)o1 ZINC000040506851 520783921 /nfs/dbraw/zinc/78/39/21/520783921.db2.gz UXARKAJQMCHNNK-UHFFFAOYSA-N 0 1 293.379 3.642 20 0 CHADMN CCCCOc1ccc(CNCc2ncccc2C)cc1 ZINC000071339575 520881808 /nfs/dbraw/zinc/88/18/08/520881808.db2.gz WGQPJWUHOGCQFA-UHFFFAOYSA-N 0 1 284.403 3.859 20 0 CHADMN CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000338570527 520902783 /nfs/dbraw/zinc/90/27/83/520902783.db2.gz DGZYONGHRFBPIK-MLGOLLRUSA-N 0 1 299.418 3.912 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccc(C)o2)cc1OC ZINC000034993605 521008583 /nfs/dbraw/zinc/00/85/83/521008583.db2.gz VCWTUYFMOSQFJH-CYBMUJFWSA-N 0 1 289.375 3.846 20 0 CHADMN CCC[C@H](CNCc1nc(-c2ccccc2)cs1)OC ZINC000293703413 521101821 /nfs/dbraw/zinc/10/18/21/521101821.db2.gz PDBMVICTWCOKMD-CQSZACIVSA-N 0 1 290.432 3.715 20 0 CHADMN CCCC[C@H](C)[C@H](C)NCc1nccc(C(F)F)n1 ZINC000290343487 521154398 /nfs/dbraw/zinc/15/43/98/521154398.db2.gz POHMMWDXNHBXBR-QWRGUYRKSA-N 0 1 271.355 3.719 20 0 CHADMN CCC[C@H](N[C@@H](C)c1cscn1)[C@@H](O)c1ccccc1 ZINC000280036664 521170652 /nfs/dbraw/zinc/17/06/52/521170652.db2.gz ILQKJPKXRUQEJC-NOLJZWGESA-N 0 1 290.432 3.696 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC000334594003 534547399 /nfs/dbraw/zinc/54/73/99/534547399.db2.gz BMWRCYKKXLIEGR-UHFFFAOYSA-N 0 1 273.376 3.541 20 0 CHADMN CCC(C)(C)CNCc1ncc(C(F)(F)F)s1 ZINC000278678291 521289138 /nfs/dbraw/zinc/28/91/38/521289138.db2.gz OVVGCXCKDLYVHS-UHFFFAOYSA-N 0 1 266.332 3.688 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2ccnn2C(C)C)c1 ZINC000279772267 521412596 /nfs/dbraw/zinc/41/25/96/521412596.db2.gz BEVGBRPZUPYCCL-CQSZACIVSA-N 0 1 287.407 3.714 20 0 CHADMN CCN(Cc1nc(-c2ccsc2)no1)CC(C)(C)C ZINC000291279187 521450247 /nfs/dbraw/zinc/45/02/47/521450247.db2.gz QFZZORFOPUDAGO-UHFFFAOYSA-N 0 1 279.409 3.666 20 0 CHADMN CCN(Cc1nnc(-c2cc(C)oc2C)o1)CC(C)(C)C ZINC000336850472 521462405 /nfs/dbraw/zinc/46/24/05/521462405.db2.gz XMOMIZCSQOSAMQ-UHFFFAOYSA-N 0 1 291.395 3.814 20 0 CHADMN Cc1occc1CN(C)CCOc1ccc(F)cc1Cl ZINC000354533345 534565631 /nfs/dbraw/zinc/56/56/31/534565631.db2.gz DOFJHHRBKFKLIQ-UHFFFAOYSA-N 0 1 297.757 3.891 20 0 CHADMN CCCc1nc(C)c(CNCc2ccc(CC)cc2)o1 ZINC000291745106 521495988 /nfs/dbraw/zinc/49/59/88/521495988.db2.gz PKFHIRTWTFQZNY-UHFFFAOYSA-N 0 1 272.392 3.788 20 0 CHADMN CCCc1nc(C)c(CNCc2cccc(C)c2C)o1 ZINC000291676016 521498016 /nfs/dbraw/zinc/49/80/16/521498016.db2.gz HBCTYGUIUIZJFQ-UHFFFAOYSA-N 0 1 272.392 3.842 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1scnc1C ZINC000071212390 521572290 /nfs/dbraw/zinc/57/22/90/521572290.db2.gz BQEFCXLKHSBSTE-LLVKDONJSA-N 0 1 276.405 3.701 20 0 CHADMN CCCc1occc1C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000337041926 521610717 /nfs/dbraw/zinc/61/07/17/521610717.db2.gz JIJDKLFCKVUJFX-UHFFFAOYSA-N 0 1 283.331 3.669 20 0 CHADMN CCOc1ncccc1CN[C@H]1CCc2c1cccc2C ZINC000151179598 521621570 /nfs/dbraw/zinc/62/15/70/521621570.db2.gz OZFOGJFLMNVWAF-KRWDZBQOSA-N 0 1 282.387 3.566 20 0 CHADMN CCN1CCC[C@H]1c1ccc(Br)s1 ZINC000307458973 521659547 /nfs/dbraw/zinc/65/95/47/521659547.db2.gz AKFNDYVONLJTQX-QMMMGPOBSA-N 0 1 260.200 3.667 20 0 CHADMN CCSCCN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000278904953 521709300 /nfs/dbraw/zinc/70/93/00/521709300.db2.gz KDJJUJIWGPRYPO-SSDOTTSWSA-N 0 1 284.372 3.566 20 0 CHADMN Cc1occc1CN[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000334855555 534583133 /nfs/dbraw/zinc/58/31/33/534583133.db2.gz ZJMHUYHIKCZJJV-IAQYHMDHSA-N 0 1 257.333 3.590 20 0 CHADMN CCSc1cc(CNCc2cnc(CC)s2)ccn1 ZINC000275055489 521734048 /nfs/dbraw/zinc/73/40/48/521734048.db2.gz NFPAAPBLSFAQLP-UHFFFAOYSA-N 0 1 293.461 3.502 20 0 CHADMN CCSc1ccc([C@@H](C)NCc2ccnc(C)n2)cc1 ZINC000339242522 521749542 /nfs/dbraw/zinc/74/95/42/521749542.db2.gz VKTRUDDVWPWJDD-GFCCVEGCSA-N 0 1 287.432 3.748 20 0 CHADMN CCSc1ccc([C@H](C)NCc2ccnc(C)n2)cc1 ZINC000339242523 521750574 /nfs/dbraw/zinc/75/05/74/521750574.db2.gz VKTRUDDVWPWJDD-LBPRGKRZSA-N 0 1 287.432 3.748 20 0 CHADMN CC[C@H](C)Oc1ccc(NCc2[nH]ncc2C)cc1 ZINC000290073619 521774068 /nfs/dbraw/zinc/77/40/68/521774068.db2.gz YLWODLIWBRZVRK-LBPRGKRZSA-N 0 1 259.353 3.508 20 0 CHADMN CCSc1ccccc1[C@@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000358364603 521781749 /nfs/dbraw/zinc/78/17/49/521781749.db2.gz GIRYTIZVAZPQGM-NWDGAFQWSA-N 0 1 275.421 3.934 20 0 CHADMN CCc1cccc2c1OCC[C@H]2N[C@H](C)c1cnn(CC)c1 ZINC000271507591 521800863 /nfs/dbraw/zinc/80/08/63/521800863.db2.gz RUCDKQCBYYCIOU-CXAGYDPISA-N 0 1 299.418 3.640 20 0 CHADMN CCc1cccc2c1OCC[C@H]2N[C@H](C)c1ccncc1 ZINC000271490685 521802389 /nfs/dbraw/zinc/80/23/89/521802389.db2.gz OWVCQKYCABTKBZ-CXAGYDPISA-N 0 1 282.387 3.818 20 0 CHADMN CC[C@H](C)[C@@H](C)N(C(=O)c1cccc2[nH]c(C)nc21)C1CC1 ZINC000338535213 521802703 /nfs/dbraw/zinc/80/27/03/521802703.db2.gz FXRJGYSLUMZASJ-NWDGAFQWSA-N 0 1 299.418 3.911 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1Cc1csc(NC(C)=O)n1 ZINC000265814059 521892791 /nfs/dbraw/zinc/89/27/91/521892791.db2.gz JWOWBWAUMGBZET-FZMZJTMJSA-N 0 1 295.452 3.502 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1ncnn1-c1ccccc1)C1CC1 ZINC000337142809 521923266 /nfs/dbraw/zinc/92/32/66/521923266.db2.gz UNPOCFPEMVVYLV-GJZGRUSLSA-N 0 1 298.434 3.666 20 0 CHADMN CC[C@@H](C)CN(C)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000111253641 521970894 /nfs/dbraw/zinc/97/08/94/521970894.db2.gz UWIAXFDMPOHVQY-GFCCVEGCSA-N 0 1 273.380 3.523 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000338576148 522008487 /nfs/dbraw/zinc/00/84/87/522008487.db2.gz VNWPWZDHVPLGOS-BLLLJJGKSA-N 0 1 299.418 3.912 20 0 CHADMN CN(C)[C@@H](CNc1ccc(F)cn1)c1ccccc1Cl ZINC000339970070 522029369 /nfs/dbraw/zinc/02/93/69/522029369.db2.gz YGWQQNDHENOANU-AWEZNQCLSA-N 0 1 293.773 3.589 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2ccc(C)s2)n[nH]1 ZINC000277058244 522051988 /nfs/dbraw/zinc/05/19/88/522051988.db2.gz BKZGKLYUXXDAKI-GXSJLCMTSA-N 0 1 278.425 3.539 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2sccc2Cl)n[nH]1 ZINC000278858421 522056768 /nfs/dbraw/zinc/05/67/68/522056768.db2.gz XQVFFUAFFZDKEJ-IUCAKERBSA-N 0 1 298.843 3.884 20 0 CHADMN CC[C@H](CNCc1ncc(C)s1)Oc1ccccc1F ZINC000295903381 522196942 /nfs/dbraw/zinc/19/69/42/522196942.db2.gz ZCJAWGRZXXRDBV-GFCCVEGCSA-N 0 1 294.395 3.538 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2c3cc(C)ccc3C[C@H]2C)o1 ZINC000291919709 522208406 /nfs/dbraw/zinc/20/84/06/522208406.db2.gz NRDNEYHFPOEKCC-XIKOKIGWSA-N 0 1 284.403 3.877 20 0 CHADMN CN(C)c1cccc(CN(C)Cc2ccc(F)c(F)c2)c1 ZINC000340697972 522264657 /nfs/dbraw/zinc/26/46/57/522264657.db2.gz XCJNLOTXSUCSIU-UHFFFAOYSA-N 0 1 290.357 3.663 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263573517 522332321 /nfs/dbraw/zinc/33/23/21/522332321.db2.gz MLSYHLNNMSQTBB-CJNGLKHVSA-N 0 1 275.392 3.785 20 0 CHADMN COc1cc(CN(C)Cc2ccc3ccccc3c2)ccn1 ZINC000339864910 522352859 /nfs/dbraw/zinc/35/28/59/522352859.db2.gz FFFVJNSTKGAMRK-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)Nc2nc3cc(C)ccc3o2)n[nH]1 ZINC000276759590 522439103 /nfs/dbraw/zinc/43/91/03/522439103.db2.gz ACQMKCJNOSWACU-GHMZBOCLSA-N 0 1 299.378 3.941 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccccc2Cl)n[nH]1 ZINC000277055857 522439915 /nfs/dbraw/zinc/43/99/15/522439915.db2.gz BCGMHSNGFRWRNJ-GHMZBOCLSA-N 0 1 292.814 3.822 20 0 CHADMN COc1cc(CN[C@H](C)c2cccc(Cl)c2)ccn1 ZINC000062057799 522484267 /nfs/dbraw/zinc/48/42/67/522484267.db2.gz MFXURYOSAUREQQ-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN Clc1ccccc1CN1CCC(OC2CCC2)CC1 ZINC000418095808 534649665 /nfs/dbraw/zinc/64/96/65/534649665.db2.gz LXSCANUXPUCRES-UHFFFAOYSA-N 0 1 279.811 3.874 20 0 CHADMN CC[C@H](NCc1cc(C)nc(C)n1)c1ccc(Cl)cc1 ZINC000340623947 522642250 /nfs/dbraw/zinc/64/22/50/522642250.db2.gz DSZQNTIVYXYSOA-INIZCTEOSA-N 0 1 289.810 3.988 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccc(=O)[nH]n1)c1ccc(Cl)s1 ZINC000353529911 522696637 /nfs/dbraw/zinc/69/66/37/522696637.db2.gz KTNYIZCPFUBXKS-IUCAKERBSA-N 0 1 297.811 3.699 20 0 CHADMN Cc1nc2ccc(NC(=O)C3=CCCCCC3)cc2[nH]1 ZINC000352150982 534656499 /nfs/dbraw/zinc/65/64/99/534656499.db2.gz ZHCAKERJZGXYED-UHFFFAOYSA-N 0 1 269.348 3.700 20 0 CHADMN CCc1nnc(SCc2cccc(C(F)F)c2)[nH]1 ZINC000279907669 522783982 /nfs/dbraw/zinc/78/39/82/522783982.db2.gz JIZJADGIPJDYTQ-UHFFFAOYSA-N 0 1 269.320 3.597 20 0 CHADMN CCc1n[nH]c(SCc2cccc(C(F)F)c2)n1 ZINC000279907669 522783986 /nfs/dbraw/zinc/78/39/86/522783986.db2.gz JIZJADGIPJDYTQ-UHFFFAOYSA-N 0 1 269.320 3.597 20 0 CHADMN CC[C@@H](NCc1c(C)noc1C)c1ccc(OC)cc1 ZINC000035012958 522869260 /nfs/dbraw/zinc/86/92/60/522869260.db2.gz AGJVAWYGHZWXPK-MRXNPFEDSA-N 0 1 274.364 3.541 20 0 CHADMN CC[C@@H](NCc1ccco1)c1ccc(OC)c(OC)c1 ZINC000020084102 522886394 /nfs/dbraw/zinc/88/63/94/522886394.db2.gz OUGRAIZTWSESMY-CQSZACIVSA-N 0 1 275.348 3.538 20 0 CHADMN CC[C@@H](NCc1cnccc1OC)c1cccc(Cl)c1 ZINC000287645003 522890101 /nfs/dbraw/zinc/89/01/01/522890101.db2.gz GKKSYRIXRTZFSR-OAHLLOKOSA-N 0 1 290.794 3.985 20 0 CHADMN CC[C@@H](NCc1cn2ccccc2n1)c1ccc(F)cc1 ZINC000340396026 522890291 /nfs/dbraw/zinc/89/02/91/522890291.db2.gz RZKCFSYWHUIESX-MRXNPFEDSA-N 0 1 283.350 3.714 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccc(C(=O)OC)o1)c1ccccc1 ZINC000223625827 522911778 /nfs/dbraw/zinc/91/17/78/522911778.db2.gz DFYUSKIVWKDWFN-GXTWGEPZSA-N 0 1 287.359 3.868 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccc(=O)[nH]n1)c1ccc(Cl)s1 ZINC000353529913 522935794 /nfs/dbraw/zinc/93/57/94/522935794.db2.gz KTNYIZCPFUBXKS-RKDXNWHRSA-N 0 1 297.811 3.699 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccccn1)c1ccc2c(c1)CCO2 ZINC000037219012 522938888 /nfs/dbraw/zinc/93/88/88/522938888.db2.gz PQBAMYZCVCSIJR-CZUORRHYSA-N 0 1 282.387 3.818 20 0 CHADMN CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226455287 522942224 /nfs/dbraw/zinc/94/22/24/522942224.db2.gz AJZGHCICGGYNIZ-GOEBONIOSA-N 0 1 275.392 3.715 20 0 CHADMN CCc1nocc1CNCc1ccc2sccc2c1 ZINC000339402133 522949537 /nfs/dbraw/zinc/94/95/37/522949537.db2.gz QPNODNSZZATKEA-UHFFFAOYSA-N 0 1 272.373 3.742 20 0 CHADMN CN(CCc1ccccn1)Cc1ccc(F)cc1Cl ZINC000072948378 522966181 /nfs/dbraw/zinc/96/61/81/522966181.db2.gz DNHWZBMDBKENDA-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN CCc1oc2ccccc2c1CNCc1cnn(CC)c1 ZINC000265382096 523008937 /nfs/dbraw/zinc/00/89/37/523008937.db2.gz CUCCRFVFAXTVNZ-UHFFFAOYSA-N 0 1 283.375 3.501 20 0 CHADMN CC[C@@H](OC1CCCC1)c1nc([C@H](N)CC(C)C)no1 ZINC000339387783 523031161 /nfs/dbraw/zinc/03/11/61/523031161.db2.gz PESMAMSYIPSFBI-CHWSQXEVSA-N 0 1 281.400 3.526 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1cnn(CC(C)C)c1 ZINC000290353246 523120228 /nfs/dbraw/zinc/12/02/28/523120228.db2.gz GGIHKNJLJHHWPZ-KRWDZBQOSA-N 0 1 286.423 3.517 20 0 CHADMN COc1ccc(-c2cnc(CN(C)CC3CCC3)o2)cc1 ZINC000111298621 523149128 /nfs/dbraw/zinc/14/91/28/523149128.db2.gz XPSLDQXAVCZXRH-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN CN(Cc1ccc(C(F)(F)F)cc1)Cc1cccnc1 ZINC000248046559 523216853 /nfs/dbraw/zinc/21/68/53/523216853.db2.gz MNFUEMIBMSWWEN-UHFFFAOYSA-N 0 1 280.293 3.732 20 0 CHADMN CN(Cc1ccc(Cl)s1)C[C@H](O)c1ccccc1 ZINC000042207602 523235530 /nfs/dbraw/zinc/23/55/30/523235530.db2.gz RUDJJFFGTHOOND-ZDUSSCGKSA-N 0 1 281.808 3.567 20 0 CHADMN CC[C@@H]1CCC[C@H](NC(=O)c2cccc3nc(C)[nH]c32)C1 ZINC000338573749 523305258 /nfs/dbraw/zinc/30/52/58/523305258.db2.gz RUYUVASSPDHTRD-OLZOCXBDSA-N 0 1 285.391 3.570 20 0 CHADMN CCn1cc(CN[C@H]2CCCc3sc(Cl)cc32)cn1 ZINC000291630645 523388018 /nfs/dbraw/zinc/38/80/18/523388018.db2.gz ALRUYPTZTRQALE-LBPRGKRZSA-N 0 1 295.839 3.785 20 0 CHADMN CN(Cc1cccn1C)Cc1cc(Cl)cc2cccnc21 ZINC000156950702 523411166 /nfs/dbraw/zinc/41/11/66/523411166.db2.gz HWKBCUQTFUXSCS-UHFFFAOYSA-N 0 1 299.805 3.859 20 0 CHADMN CN(Cc1cccs1)Cc1cnc2ccccc2c1 ZINC000337139981 523448234 /nfs/dbraw/zinc/44/82/34/523448234.db2.gz SXJJSIWSDQTCRV-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN CCn1cc([C@@H](C)N[C@@H](C)c2cccc(Cl)c2)cn1 ZINC000044495023 523458085 /nfs/dbraw/zinc/45/80/85/523458085.db2.gz ZDZAYVSZKZIGDU-NWDGAFQWSA-N 0 1 277.799 3.968 20 0 CHADMN CCn1cc([C@@H](C)N[C@H](C)c2ccc(Cl)cc2)cn1 ZINC000044494943 523458281 /nfs/dbraw/zinc/45/82/81/523458281.db2.gz GMFHLVQCFRCJRA-VXGBXAGGSA-N 0 1 277.799 3.968 20 0 CHADMN CCn1cc([C@@H](C)N[C@@H](C)c2ccc(Cl)cc2)cn1 ZINC000044494941 523459463 /nfs/dbraw/zinc/45/94/63/523459463.db2.gz GMFHLVQCFRCJRA-NWDGAFQWSA-N 0 1 277.799 3.968 20 0 CHADMN CCn1cc([C@H](C)N[C@H](C)c2cc(C)oc2C)cn1 ZINC000044730086 523476182 /nfs/dbraw/zinc/47/61/82/523476182.db2.gz ABJSRLOSOYXPNH-NWDGAFQWSA-N 0 1 261.369 3.525 20 0 CHADMN CN(Cc1ccon1)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000275735136 523482934 /nfs/dbraw/zinc/48/29/34/523482934.db2.gz QAMDBROURZMXMU-SJORKVTESA-N 0 1 270.376 3.617 20 0 CHADMN CO[C@@H](c1ccccc1F)[C@@H](C)NCc1ccc(C)o1 ZINC000271948727 523549050 /nfs/dbraw/zinc/54/90/50/523549050.db2.gz CXKXHVSYTZBADA-MLGOLLRUSA-N 0 1 277.339 3.593 20 0 CHADMN CC[C@]1(C)CCCN(Cc2nc(C)c(C)s2)C1 ZINC000357729664 523561297 /nfs/dbraw/zinc/56/12/97/523561297.db2.gz KOECNHJYEBEPDX-CQSZACIVSA-N 0 1 252.427 3.772 20 0 CHADMN CC[C@@H]1C[C@]1(NCc1cnc(C)nc1)c1cccc(C)c1 ZINC000337303204 523588726 /nfs/dbraw/zinc/58/87/26/523588726.db2.gz QIPDJGCSNWQSAG-SJLPKXTDSA-N 0 1 281.403 3.508 20 0 CHADMN CC[C@@H]1c2ccsc2CCN1Cc1ccc(C)cn1 ZINC000156148875 523628779 /nfs/dbraw/zinc/62/87/79/523628779.db2.gz JPOVTFNJQMNOGD-OAHLLOKOSA-N 0 1 272.417 3.961 20 0 CHADMN CCn1nc(C)c(CN[C@@H]2C[C@@H](C)Oc3ccccc32)c1C ZINC000295112402 523643417 /nfs/dbraw/zinc/64/34/17/523643417.db2.gz VFRYTPLKOZNSKD-SJKOYZFVSA-N 0 1 299.418 3.522 20 0 CHADMN COCCN([C@H](C)c1ccccc1Cl)C1CC1 ZINC000339925268 523782401 /nfs/dbraw/zinc/78/24/01/523782401.db2.gz XDDUMVOSQVNUAN-LLVKDONJSA-N 0 1 253.773 3.512 20 0 CHADMN CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000299397810 523827476 /nfs/dbraw/zinc/82/74/76/523827476.db2.gz CVBMPOOIFSENQP-SWLSCSKDSA-N 0 1 285.391 3.581 20 0 CHADMN CO[C@H](C)CN[C@H](C)c1cc(Cl)sc1Cl ZINC000188136168 523886605 /nfs/dbraw/zinc/88/66/05/523886605.db2.gz KJUYQEOWGVRYEX-RNFRBKRXSA-N 0 1 268.209 3.740 20 0 CHADMN CCc1ccc(CNCc2ccc(OC)cc2OC)s1 ZINC000067693043 523943061 /nfs/dbraw/zinc/94/30/61/523943061.db2.gz YFHLFJOBRJMUKP-UHFFFAOYSA-N 0 1 291.416 3.618 20 0 CHADMN CCc1ccc(CN[C@H](C)c2n[nH]c([C@@H](C)CC)n2)cc1 ZINC000277454750 523945513 /nfs/dbraw/zinc/94/55/13/523945513.db2.gz PRFZSPZXBLMKFG-QWHCGFSZSA-N 0 1 286.423 3.731 20 0 CHADMN CO[C@H]1CCN(Cc2cc(C)ccc2OC(F)F)[C@H](C)C1 ZINC000292956695 523996004 /nfs/dbraw/zinc/99/60/04/523996004.db2.gz VSSDPSCSDHJKPR-OCCSQVGLSA-N 0 1 299.361 3.596 20 0 CHADMN COc1ccc(CN(Cc2ccccn2)C2CC2)cc1C ZINC000290570344 524014409 /nfs/dbraw/zinc/01/44/09/524014409.db2.gz TVJINWXASKLCAA-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN CCc1ccc([C@H](C)NCc2ncccc2N(C)C)cc1 ZINC000289908843 524047121 /nfs/dbraw/zinc/04/71/21/524047121.db2.gz UHZXQCSZRQURHK-AWEZNQCLSA-N 0 1 283.419 3.561 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccco2)cc1Cl ZINC000086584185 524083580 /nfs/dbraw/zinc/08/35/80/524083580.db2.gz PFMZRQZUMFXDFK-JTQLQIEISA-N 0 1 265.740 3.792 20 0 CHADMN Cc1ccc(C)c(OC2CCN(Cc3ccncc3)CC2)c1 ZINC000130294715 524163032 /nfs/dbraw/zinc/16/30/32/524163032.db2.gz DCUAJKKYGLRZKQ-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1F)N1[C@@H](C)CC[C@@H]1C ZINC000164149484 524252245 /nfs/dbraw/zinc/25/22/45/524252245.db2.gz XVXMIVVBHUCJGQ-DCAQKATOSA-N 0 1 298.789 3.679 20 0 CHADMN COc1ccc(F)c(CN(C)C[C@@H](C)c2nccs2)c1 ZINC000293523876 524272302 /nfs/dbraw/zinc/27/23/02/524272302.db2.gz DHZWGGANZZOEJS-LLVKDONJSA-N 0 1 294.395 3.526 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1nc2ccc(F)cc2o1 ZINC000163482838 524279338 /nfs/dbraw/zinc/27/93/38/524279338.db2.gz ICKQJMMJUHIYNM-GHMZBOCLSA-N 0 1 262.328 3.730 20 0 CHADMN Cc1ccc(CCCc2nc([C@@H](N)CC(C)C)no2)s1 ZINC000339397220 524322190 /nfs/dbraw/zinc/32/21/90/524322190.db2.gz RAXGOIREGTUXRV-ZDUSSCGKSA-N 0 1 293.436 3.661 20 0 CHADMN COc1ccc(F)cc1[C@H](C)N[C@H](C)c1cccc(O)c1 ZINC000037089960 524335055 /nfs/dbraw/zinc/33/50/55/524335055.db2.gz PRXBJEPIWFTNMQ-NEPJUHHUSA-N 0 1 289.350 3.952 20 0 CHADMN C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1ccco1 ZINC000080339547 524433925 /nfs/dbraw/zinc/43/39/25/524433925.db2.gz NOACZINIBVWQJF-MEDUHNTESA-N 0 1 259.324 3.832 20 0 CHADMN C[C@@H](CN(C)Cc1nccs1)c1ccc(F)cc1 ZINC000275658763 524577340 /nfs/dbraw/zinc/57/73/40/524577340.db2.gz DGHYFYNNIRHCLB-NSHDSACASA-N 0 1 264.369 3.518 20 0 CHADMN Cc1ccc(CNCc2ccccc2C(F)(F)F)cn1 ZINC000057591354 524586308 /nfs/dbraw/zinc/58/63/08/524586308.db2.gz JQIRZPGBECRZKT-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN Cc1ccc(CN[C@H]2CCOc3c(F)cccc32)cc1F ZINC000276259230 524609092 /nfs/dbraw/zinc/60/90/92/524609092.db2.gz XTNMVISFNGWOTR-INIZCTEOSA-N 0 1 289.325 3.887 20 0 CHADMN C[C@@H](CN1CCCC[C@H]1c1ncc[nH]1)c1ccc(F)cc1 ZINC000275766905 524609701 /nfs/dbraw/zinc/60/97/01/524609701.db2.gz VOIIJGAWYOEHDC-BBRMVZONSA-N 0 1 287.382 3.880 20 0 CHADMN Cc1cc(CN(Cc2ccccn2)C2CC2)cc(C)c1O ZINC000290551651 524669816 /nfs/dbraw/zinc/66/98/16/524669816.db2.gz RVNXIJGXLTUASL-UHFFFAOYSA-N 0 1 282.387 3.569 20 0 CHADMN C[C@@H]1CC[C@H](CN2CC[C@@H]2c2ccc(Cl)cc2)O1 ZINC000276400697 524671772 /nfs/dbraw/zinc/67/17/72/524671772.db2.gz CBSNHBKMRFZXKO-KCPJHIHWSA-N 0 1 265.784 3.654 20 0 CHADMN Cc1cccc(NC[C@H](c2cccnc2)C(C)C)n1 ZINC000157913323 524684594 /nfs/dbraw/zinc/68/45/94/524684594.db2.gz ROZFSTOMNFYPIS-HNNXBMFYSA-N 0 1 255.365 3.637 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)no1 ZINC000289381882 524684769 /nfs/dbraw/zinc/68/47/69/524684769.db2.gz QDHYDZBIOYSKGO-MRXNPFEDSA-N 0 1 296.374 3.505 20 0 CHADMN Cc1cccc(N[C@@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000292351343 524695321 /nfs/dbraw/zinc/69/53/21/524695321.db2.gz YGQXHTROLYWPEM-OAHLLOKOSA-N 0 1 270.380 3.847 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@H]1CCc2c1cccc2O ZINC000036852234 524724730 /nfs/dbraw/zinc/72/47/30/524724730.db2.gz PCWVXMHOAZMQAA-WBMJQRKESA-N 0 1 283.371 3.739 20 0 CHADMN C[C@@H](CNCc1nnc(C(C)(C)C)s1)c1ccccc1 ZINC000278463854 524742640 /nfs/dbraw/zinc/74/26/40/524742640.db2.gz FRBGQLPJHPQJPC-LBPRGKRZSA-N 0 1 289.448 3.729 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(F)c3ccccc32)ncn1 ZINC000340316370 524765714 /nfs/dbraw/zinc/76/57/14/524765714.db2.gz RODBETIGKJWAPU-ZDUSSCGKSA-N 0 1 295.361 3.928 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3c4cc(C)ccc4[nH]c32)on1 ZINC000289367237 524771966 /nfs/dbraw/zinc/77/19/66/524771966.db2.gz ZVEYRADEPFLYMU-QGZVFWFLSA-N 0 1 295.386 3.940 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(F)c3ccccc32)ncn1 ZINC000340316367 524777531 /nfs/dbraw/zinc/77/75/31/524777531.db2.gz RODBETIGKJWAPU-CYBMUJFWSA-N 0 1 295.361 3.928 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN[C@@H](C)c1cccnc1 ZINC000344403562 534808067 /nfs/dbraw/zinc/80/80/67/534808067.db2.gz DBOATSSUSDBCEL-LBPRGKRZSA-N 0 1 286.423 3.501 20 0 CHADMN Cc1cccc([C@@H](C)NCc2ncccc2N(C)C)c1C ZINC000289572046 524830558 /nfs/dbraw/zinc/83/05/58/524830558.db2.gz AYAPFPPGSFKJAU-OAHLLOKOSA-N 0 1 283.419 3.615 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)c1ccoc1C1CC1 ZINC000336546913 534821529 /nfs/dbraw/zinc/82/15/29/534821529.db2.gz UPXOZRQCDJLTQL-UHFFFAOYSA-N 0 1 295.697 3.907 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@@H]2NCc1ncccc1N(C)C ZINC000289556053 524964871 /nfs/dbraw/zinc/96/48/71/524964871.db2.gz AADBBXMSGAWBDE-ZBFHGGJFSA-N 0 1 295.430 3.794 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN(CC2=CCCOC2)C2CC2)o1 ZINC000129855632 524969789 /nfs/dbraw/zinc/96/97/89/524969789.db2.gz DNKAQJFGCHKEFB-SUMWQHHRSA-N 0 1 287.403 3.714 20 0 CHADMN Cc1cccc2ncc(CN3C[C@@H](C)[C@@H]3c3ccccc3)n21 ZINC000354025485 524991682 /nfs/dbraw/zinc/99/16/82/524991682.db2.gz FBINNLHEEPUJOF-AUUYWEPGSA-N 0 1 291.398 3.836 20 0 CHADMN COc1ncc(CN(C)[C@H](C)c2cc(C)ccc2C)c(C)n1 ZINC000337131198 525005287 /nfs/dbraw/zinc/00/52/87/525005287.db2.gz JPANTTARTAJYBN-OAHLLOKOSA-N 0 1 299.418 3.603 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(C)no2)c2ccccc12 ZINC000125539418 525154942 /nfs/dbraw/zinc/15/49/42/525154942.db2.gz QWDKZBZNHYHTEG-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN Cc1ccccc1NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000067657303 525257596 /nfs/dbraw/zinc/25/75/96/525257596.db2.gz QDZAMQRZJAOQFB-SFHVURJKSA-N 0 1 294.398 3.598 20 0 CHADMN Cc1cc(NCc2cccnc2)c2cc(F)ccc2n1 ZINC000119728429 525279673 /nfs/dbraw/zinc/27/96/73/525279673.db2.gz STAZBBZYZXORMG-UHFFFAOYSA-N 0 1 267.307 3.689 20 0 CHADMN C[C@H](NCC1(C)CCC1)c1nc(-c2cccc(F)c2)no1 ZINC000274803450 525312901 /nfs/dbraw/zinc/31/29/01/525312901.db2.gz PLTXLCXDLBBFSN-NSHDSACASA-N 0 1 289.354 3.717 20 0 CHADMN CSC1(CNc2ccc(CN(C)C)c(Cl)c2)CC1 ZINC000289508595 525341058 /nfs/dbraw/zinc/34/10/58/525341058.db2.gz CYKZGCKLKZPMQC-UHFFFAOYSA-N 0 1 284.856 3.709 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@H](C)c1nccnc1C ZINC000187685239 525416583 /nfs/dbraw/zinc/41/65/83/525416583.db2.gz WVHYJZKQPIQFHA-GXTWGEPZSA-N 0 1 255.365 3.505 20 0 CHADMN CSCCCN1CCn2cccc2[C@H]1c1ccccc1 ZINC000157612020 525449616 /nfs/dbraw/zinc/44/96/16/525449616.db2.gz WQPXZAQGJRSBQR-QGZVFWFLSA-N 0 1 286.444 3.646 20 0 CHADMN C[C@H](NCc1ccc2c(n1)CCCC2)c1ccccc1 ZINC000277585000 525452524 /nfs/dbraw/zinc/45/25/24/525452524.db2.gz LASFTYJZVMGNHY-AWEZNQCLSA-N 0 1 266.388 3.811 20 0 CHADMN C[C@H](NCc1cccc(N(C)C)c1)c1ccc(Cl)cn1 ZINC000274938839 525455914 /nfs/dbraw/zinc/45/59/14/525455914.db2.gz SNWRLXHBOPZCNQ-LBPRGKRZSA-N 0 1 289.810 3.652 20 0 CHADMN Cc1cccn2cc(CNCc3cccc(C)c3C)nc12 ZINC000124003288 525473447 /nfs/dbraw/zinc/47/34/47/525473447.db2.gz JXCNQSWNNHSVEY-UHFFFAOYSA-N 0 1 279.387 3.549 20 0 CHADMN Cc1cccn2cc(CNCc3ccc(C)c(C)c3)nc12 ZINC000076894945 525474037 /nfs/dbraw/zinc/47/40/37/525474037.db2.gz CTYGDLSLVOQJJW-UHFFFAOYSA-N 0 1 279.387 3.549 20 0 CHADMN CSCCCN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000274665358 525482300 /nfs/dbraw/zinc/48/23/00/525482300.db2.gz XCBCRPIVIXBPEX-ZETCQYMHSA-N 0 1 284.372 3.566 20 0 CHADMN Cc1[nH]ncc1C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 ZINC000278418598 525484675 /nfs/dbraw/zinc/48/46/75/525484675.db2.gz MWGLFFKGWHMIFA-AWEZNQCLSA-N 0 1 283.375 3.508 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263563211 525512201 /nfs/dbraw/zinc/51/22/01/525512201.db2.gz DEHXIQXTLIQTEH-WQVCFCJDSA-N 0 1 273.376 3.538 20 0 CHADMN Cc1cc([C@H](C)NCc2ccnc(N3CCCC3)c2)c(C)o1 ZINC000278356176 525523862 /nfs/dbraw/zinc/52/38/62/525523862.db2.gz ZZJUMAYJVNOYQF-AWEZNQCLSA-N 0 1 299.418 3.742 20 0 CHADMN Cc1cccnc1CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000071339590 525525830 /nfs/dbraw/zinc/52/58/30/525525830.db2.gz IYDLWWMTTDCKSU-LBPRGKRZSA-N 0 1 292.329 3.842 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)CCOCc2ccccc2)no1 ZINC000290572979 525526601 /nfs/dbraw/zinc/52/66/01/525526601.db2.gz FJKWKEKAOMBDNB-ZFWWWQNUSA-N 0 1 288.391 3.629 20 0 CHADMN C[C@@H](NCc1ccc(OC(F)(F)F)cc1)c1ccccn1 ZINC000020123282 525528720 /nfs/dbraw/zinc/52/87/20/525528720.db2.gz NLGSYTVFULKKKX-LLVKDONJSA-N 0 1 296.292 3.831 20 0 CHADMN C[C@@H](NCc1cccnc1)c1ccccc1OC(F)F ZINC000020140951 525541521 /nfs/dbraw/zinc/54/15/21/525541521.db2.gz JOUVGNKESHCTIJ-LLVKDONJSA-N 0 1 278.302 3.534 20 0 CHADMN C[C@@H](NCc1ncccc1N(C)C)c1cccc(C2CC2)c1 ZINC000340395402 525561672 /nfs/dbraw/zinc/56/16/72/525561672.db2.gz LOUSQIOFJKMDOD-CQSZACIVSA-N 0 1 295.430 3.876 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c1cnn2C)c1ccc(Cl)s1 ZINC000036992457 525564975 /nfs/dbraw/zinc/56/49/75/525564975.db2.gz CYTUFOGECISSFE-GXSJLCMTSA-N 0 1 295.839 3.863 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)/C=C1\CC[C@@H](C)C1 ZINC000276695504 525586133 /nfs/dbraw/zinc/58/61/33/525586133.db2.gz KAIUVVWSAQMFKV-CEXMDJMXSA-N 0 1 269.348 3.556 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)C1CC1)c1nccs1 ZINC000080265200 525629330 /nfs/dbraw/zinc/62/93/30/525629330.db2.gz GDSGRGCTSCAWFH-RISCZKNCSA-N 0 1 258.390 3.945 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C)[C@H]2CCCC[C@@H]2C)c1 ZINC000338675715 525630457 /nfs/dbraw/zinc/63/04/57/525630457.db2.gz MFGHACLQZKCPEP-WFASDCNBSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000338645286 525634378 /nfs/dbraw/zinc/63/43/78/525634378.db2.gz XNAKQTOUXFOSBU-UHFFFAOYSA-N 0 1 291.354 3.612 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c1cnn2C)c1cc2ccccc2o1 ZINC000122086802 525639049 /nfs/dbraw/zinc/63/90/49/525639049.db2.gz BZHXXACYBZLRNX-IUODEOHRSA-N 0 1 295.386 3.895 20 0 CHADMN Cc1nnc([C@@H](C)NCCc2ccc3ccccc3c2)s1 ZINC000353565799 534871106 /nfs/dbraw/zinc/87/11/06/534871106.db2.gz CJICIKKZYAOLKK-GFCCVEGCSA-N 0 1 297.427 3.893 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000062999746 525667094 /nfs/dbraw/zinc/66/70/94/525667094.db2.gz BSIRDUCEXAISSN-BDJLRTHQSA-N 0 1 293.769 3.863 20 0 CHADMN COc1ccc2nc(S[C@@H]3C[C@@H](C)O[C@@H](C)C3)[nH]c2c1 ZINC000338502536 525678938 /nfs/dbraw/zinc/67/89/38/525678938.db2.gz ZNEDNCDDFVQONV-PEGIJTEDSA-N 0 1 292.404 3.620 20 0 CHADMN C[C@@H](N[C@H]1C[C@H](c2cccc(F)c2)C1)c1cscn1 ZINC000280882284 525694819 /nfs/dbraw/zinc/69/48/19/525694819.db2.gz PENNPMBWRMPVJO-MPKXVKKWSA-N 0 1 276.380 3.879 20 0 CHADMN C[C@@H](N[C@H]1C[C@H](c2ccccc2F)C1)c1nccs1 ZINC000280939902 525695478 /nfs/dbraw/zinc/69/54/78/525695478.db2.gz VYRGXTYDKLGOQL-IJLUTSLNSA-N 0 1 276.380 3.879 20 0 CHADMN C[C@H](O)CCCN1CCCC[C@H]1c1ccc(F)cc1F ZINC000354707400 525707420 /nfs/dbraw/zinc/70/74/20/525707420.db2.gz KKNNUUUESPQFFO-LRDDRELGSA-N 0 1 283.362 3.653 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc3c(c2)OCCCO3)o1 ZINC000037675070 525733527 /nfs/dbraw/zinc/73/35/27/525733527.db2.gz NIIYQBDDYKVXHV-CYBMUJFWSA-N 0 1 287.359 3.600 20 0 CHADMN Cc1ccncc1CNCc1ccccc1OCC(C)C ZINC000279997157 525748591 /nfs/dbraw/zinc/74/85/91/525748591.db2.gz RPLQONXFVVQSMM-UHFFFAOYSA-N 0 1 284.403 3.715 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1ccc(Cl)s1 ZINC000356306444 525768191 /nfs/dbraw/zinc/76/81/91/525768191.db2.gz LEVFPSXGQDQFJK-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN Cc1ccc([C@@H](O)CN2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000292491253 525777155 /nfs/dbraw/zinc/77/71/55/525777155.db2.gz RRGMKBPJRBWUTH-ROUUACIJSA-N 0 1 296.414 3.507 20 0 CHADMN C[C@@]1(CCc2ccccc2)CC[N@@H+](CCCCC(=O)[O-])C1 ZINC000262261396 525827314 /nfs/dbraw/zinc/82/73/14/525827314.db2.gz RBZIKIRKNMQWKD-GOSISDBHSA-N 0 1 289.419 3.586 20 0 CHADMN C[C@@]1(CNCc2ncc(C(F)(F)F)s2)CCCS1 ZINC000278546853 525850352 /nfs/dbraw/zinc/85/03/52/525850352.db2.gz AYDNWNALTYNSFJ-JTQLQIEISA-N 0 1 296.383 3.537 20 0 CHADMN Cc1ccc([C@H](C)NCc2nc3ccccc3n2C)cc1 ZINC000066973626 525931230 /nfs/dbraw/zinc/93/12/30/525931230.db2.gz BZFXBDAAWWGEHE-AWEZNQCLSA-N 0 1 279.387 3.733 20 0 CHADMN Cc1ccc([C@H](NC[C@H]2CC[C@@H](C)O2)c2ccccn2)cc1 ZINC000279982358 525969814 /nfs/dbraw/zinc/96/98/14/525969814.db2.gz IHQPAMBBEKZAPC-SUMDDJOVSA-N 0 1 296.414 3.637 20 0 CHADMN Cc1ccc([C@H](N[C@H](C)c2nccnc2C)C2CC2)cc1 ZINC000275694238 525971607 /nfs/dbraw/zinc/97/16/07/525971607.db2.gz KYRFEVRZZWVWQV-KDOFPFPSSA-N 0 1 281.403 3.895 20 0 CHADMN C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)c1cccnc1 ZINC000338588355 525999342 /nfs/dbraw/zinc/99/93/42/525999342.db2.gz AMUYCUYKKHZKEI-LLVKDONJSA-N 0 1 282.372 3.720 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](CC(C)C)c1ccccc1C ZINC000289616071 526030078 /nfs/dbraw/zinc/03/00/78/526030078.db2.gz VZTSRUWBSUHWPH-INIZCTEOSA-N 0 1 271.408 3.904 20 0 CHADMN Cc1cn[nH]c1CNc1cc(F)c(Br)cc1C ZINC000289642518 526033761 /nfs/dbraw/zinc/03/37/61/526033761.db2.gz XTOTUOJLDGNCFD-UHFFFAOYSA-N 0 1 298.159 3.540 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccc(C)s2)c1OC ZINC000049158582 526037415 /nfs/dbraw/zinc/03/74/15/526037415.db2.gz NKAUDUBTUMBGQF-GFCCVEGCSA-N 0 1 291.416 3.925 20 0 CHADMN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cnn(C)c1 ZINC000079387400 526045923 /nfs/dbraw/zinc/04/59/23/526045923.db2.gz HEGMHPKCMQEJLF-SNVBAGLBSA-N 0 1 298.217 3.920 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCCC(=O)[O-] ZINC000083662503 526047618 /nfs/dbraw/zinc/04/76/18/526047618.db2.gz RABBMEOXEWDYDM-VIFPVBQESA-N 0 1 290.190 3.851 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@@H+](CCC(=O)[O-])C1CC1 ZINC000083663439 526069184 /nfs/dbraw/zinc/06/91/84/526069184.db2.gz FAJCNCWNEXPSSF-CYBMUJFWSA-N 0 1 283.371 3.840 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1ccc(C)cn1 ZINC000337269214 526193787 /nfs/dbraw/zinc/19/37/87/526193787.db2.gz YMSXBCAAFROFOY-ZDUSSCGKSA-N 0 1 272.417 3.963 20 0 CHADMN Cc1cncc(CN[C@@H](C)c2ccccc2Cl)c1 ZINC000131099691 526205450 /nfs/dbraw/zinc/20/54/50/526205450.db2.gz BOQQRPLQSITHKL-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1ccc2nc(CNCc3cc(C)cc(C)c3)cn2c1 ZINC000264524893 526248860 /nfs/dbraw/zinc/24/88/60/526248860.db2.gz COJMDFRERLQQPE-UHFFFAOYSA-N 0 1 279.387 3.549 20 0 CHADMN C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000055391283 526260901 /nfs/dbraw/zinc/26/09/01/526260901.db2.gz LRJOMRCKFXBORV-GXFFZTMASA-N 0 1 281.783 3.696 20 0 CHADMN CC=Cc1ccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000335968887 526303698 /nfs/dbraw/zinc/30/36/98/526303698.db2.gz HONKUYGKEDXZIT-TXTHVTMNSA-N 0 1 296.374 3.642 20 0 CHADMN Fc1ccc(CN2CCC(C(F)(F)F)CC2)cc1 ZINC000075996842 526332429 /nfs/dbraw/zinc/33/24/29/526332429.db2.gz RPPUKKKNRPQJAV-UHFFFAOYSA-N 0 1 261.262 3.600 20 0 CHADMN Fc1ccc(CN2CCC[C@H](c3nccs3)C2)cc1F ZINC000157007044 526333780 /nfs/dbraw/zinc/33/37/80/526333780.db2.gz QDIXTQGKMQJQFZ-LBPRGKRZSA-N 0 1 294.370 3.801 20 0 CHADMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1cccc3ccccc31)C2 ZINC000280959236 526339631 /nfs/dbraw/zinc/33/96/31/526339631.db2.gz IEMRSMHWYJWFMV-LPHOPBHVSA-N 0 1 295.382 3.527 20 0 CHADMN Cc1nnc(CN2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)s1 ZINC000278352858 526341026 /nfs/dbraw/zinc/34/10/26/526341026.db2.gz ACJUBNTYSFBJJU-WFASDCNBSA-N 0 1 287.432 3.533 20 0 CHADMN Oc1ccc(Cl)cc1-c1nc(CCC(F)(F)F)no1 ZINC000094494288 526346011 /nfs/dbraw/zinc/34/60/11/526346011.db2.gz IYMFZXWSASNJBM-UHFFFAOYSA-N 0 1 292.644 3.591 20 0 CHADMN Cc1csc(CNC[C@H](C)Oc2ccc(Cl)cc2)n1 ZINC000276951307 526357325 /nfs/dbraw/zinc/35/73/25/526357325.db2.gz BZYDSRQFIYQZCA-NSHDSACASA-N 0 1 296.823 3.662 20 0 CHADMN Oc1cccc2c1CC[C@H]2NCc1ccc(F)c(Cl)c1 ZINC000053149200 526368017 /nfs/dbraw/zinc/36/80/17/526368017.db2.gz ICSBTRHVLXHGAM-OAHLLOKOSA-N 0 1 291.753 3.962 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cncs1)CCS2 ZINC000054770706 526373982 /nfs/dbraw/zinc/37/39/82/526373982.db2.gz CWTCNZQSOWJPCQ-GFCCVEGCSA-N 0 1 280.393 3.609 20 0 CHADMN Fc1cccc(CN2CCC(C(F)(F)F)CC2)c1 ZINC000075969506 526385590 /nfs/dbraw/zinc/38/55/90/526385590.db2.gz ZQWSOQHZEGVGDS-UHFFFAOYSA-N 0 1 261.262 3.600 20 0 CHADMN Fc1cccc([C@H]2CCCN2Cc2ccncc2)c1 ZINC000130283331 526399527 /nfs/dbraw/zinc/39/95/27/526399527.db2.gz CWTZSBYTKDUDFW-MRXNPFEDSA-N 0 1 256.324 3.558 20 0 CHADMN c1c2ccccc2[nH]c1CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000365652854 526401396 /nfs/dbraw/zinc/40/13/96/526401396.db2.gz BXLGTWQDPCKJRN-QZTJIDSGSA-N 0 1 296.414 3.701 20 0 CHADMN Fc1cncc(CNC2(c3cccc(Cl)c3)CC2)c1 ZINC000275037674 526423465 /nfs/dbraw/zinc/42/34/65/526423465.db2.gz FPAWYKIQQFSTPS-UHFFFAOYSA-N 0 1 276.742 3.653 20 0 CHADMN c1cc2c(s1)CCC[C@H]2NCc1cn2ccccc2n1 ZINC000061362518 526446216 /nfs/dbraw/zinc/44/62/16/526446216.db2.gz HBYMZLWXSITTED-CQSZACIVSA-N 0 1 283.400 3.563 20 0 CHADMN Cc1nnsc1CN[C@H](CC(C)C)c1cccs1 ZINC000293380765 526448394 /nfs/dbraw/zinc/44/83/94/526448394.db2.gz IISQKDDECYOWSB-LLVKDONJSA-N 0 1 281.450 3.785 20 0 CHADMN Cc1nnsc1CN[C@@H]1CC[C@H](C)c2ccccc21 ZINC000293694629 526448712 /nfs/dbraw/zinc/44/87/12/526448712.db2.gz OAWORTPHUFJIIO-IINYFYTJSA-N 0 1 273.405 3.575 20 0 CHADMN c1cc2cc(CN(Cc3cccnc3)C3CC3)ccc2o1 ZINC000290383398 526448955 /nfs/dbraw/zinc/44/89/55/526448955.db2.gz IFKGAASUNFEGBT-UHFFFAOYSA-N 0 1 278.355 3.992 20 0 CHADMN c1ccc(-c2cnc(CN[C@H]3CCC34CCCC4)nc2)cc1 ZINC000189221347 526452663 /nfs/dbraw/zinc/45/26/63/526452663.db2.gz FAQNZVNIIOTNJI-KRWDZBQOSA-N 0 1 293.414 3.956 20 0 CHADMN c1ccc(-c2nnc(CN3CCC4(C3)CCCCC4)o2)cc1 ZINC000265987129 526456454 /nfs/dbraw/zinc/45/64/54/526456454.db2.gz DQIZZOIAUULOAW-UHFFFAOYSA-N 0 1 297.402 3.893 20 0 CHADMN c1ccc([C@@H]2C[C@@H]2[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000291196896 526492613 /nfs/dbraw/zinc/49/26/13/526492613.db2.gz PROGOANHIWKDET-FJIDUMEYSA-N 0 1 283.415 3.576 20 0 CHADMN c1ccc([C@@H]2C[C@@H]2[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000291196898 526493002 /nfs/dbraw/zinc/49/30/02/526493002.db2.gz PROGOANHIWKDET-WNRNVDISSA-N 0 1 283.415 3.576 20 0 CHADMN c1ccc([C@@H]2CSCC[N@@H+]2CCC2CCOCC2)cc1 ZINC000292653864 526493686 /nfs/dbraw/zinc/49/36/86/526493686.db2.gz PHKJHSQAARPBLP-KRWDZBQOSA-N 0 1 291.460 3.593 20 0 CHADMN Cc1n[nH]c(C)c1CN[C@@H]1CCCc2sc(Cl)cc21 ZINC000291769409 526495558 /nfs/dbraw/zinc/49/55/58/526495558.db2.gz SNYUMXAQFYETGG-GFCCVEGCSA-N 0 1 295.839 3.909 20 0 CHADMN Cc1n[nH]cc1CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000130840949 526546812 /nfs/dbraw/zinc/54/68/12/526546812.db2.gz SZPSQPOUCZGPQL-NSHDSACASA-N 0 1 263.772 3.565 20 0 CHADMN c1coc(CN(Cc2ccco2)C[C@@H]2CCSC2)c1 ZINC000278527161 526566242 /nfs/dbraw/zinc/56/62/42/526566242.db2.gz ZCQWOJMRQWTVFR-ZDUSSCGKSA-N 0 1 277.389 3.628 20 0 CHADMN c1coc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)c1 ZINC000236631985 526566481 /nfs/dbraw/zinc/56/64/81/526566481.db2.gz MBWVXWYDXWQXIZ-UHFFFAOYSA-N 0 1 299.370 3.610 20 0 CHADMN c1[nH]nc2c1CCC[C@H]2NCc1ccc(C2CCC2)cc1 ZINC000293143847 526589100 /nfs/dbraw/zinc/58/91/00/526589100.db2.gz DDOLZPKAWPJLAE-QGZVFWFLSA-N 0 1 281.403 3.844 20 0 CHADMN CC(C)(C)[C@@H]1CN(C(=O)c2ncccc2O)c2ccccc21 ZINC000331882254 526676642 /nfs/dbraw/zinc/67/66/42/526676642.db2.gz CFGKPQLATXSQDJ-CYBMUJFWSA-N 0 1 296.370 3.577 20 0 CHADMN Cc1nocc1CN1CCC(Cc2ccccc2F)CC1 ZINC000295331184 526688289 /nfs/dbraw/zinc/68/82/89/526688289.db2.gz MAFMKASOMFFSEQ-UHFFFAOYSA-N 0 1 288.366 3.577 20 0 CHADMN Cc1nc(CN2CCCC3(CCCCC3)C2)cs1 ZINC000340836733 526854369 /nfs/dbraw/zinc/85/43/69/526854369.db2.gz CTVVPCYMURNZHM-UHFFFAOYSA-N 0 1 264.438 3.998 20 0 CHADMN Cc1nc(F)ccc1CN1CC[C@@H](c2ccccc2F)C1 ZINC000278384443 526944225 /nfs/dbraw/zinc/94/42/25/526944225.db2.gz DDHCHUSWQUFSPS-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1nc(F)ccc1CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000278275953 526947116 /nfs/dbraw/zinc/94/71/16/526947116.db2.gz AKYCUJINNVLWQQ-VIFPVBQESA-N 0 1 280.293 3.658 20 0 CHADMN Clc1cccc(Cl)c1CN1CC[C@@]2(CCOC2)C1 ZINC000153649419 526978730 /nfs/dbraw/zinc/97/87/30/526978730.db2.gz YNJSLKVIJKUANV-CQSZACIVSA-N 0 1 286.202 3.606 20 0 CHADMN Clc1cnc(CNC[C@@H]2C[C@@H]2c2ccccc2)s1 ZINC000339509935 526996757 /nfs/dbraw/zinc/99/67/57/526996757.db2.gz AZPDLQSGOWGEDY-NWDGAFQWSA-N 0 1 278.808 3.690 20 0 CHADMN Cc1nc([C@H](C)N2C[C@@H](c3ccccc3C)C[C@@H]2C)no1 ZINC000278547220 527058920 /nfs/dbraw/zinc/05/89/20/527058920.db2.gz GYFRIUZIZGHWMM-YDHLFZDLSA-N 0 1 285.391 3.625 20 0 CHADMN Cc1nc([C@H](C)NC[C@H](C)Oc2ccc(F)cc2)cs1 ZINC000269396370 527064853 /nfs/dbraw/zinc/06/48/53/527064853.db2.gz DXMVIXHFDHBNPY-QWRGUYRKSA-N 0 1 294.395 3.709 20 0 CHADMN NC1(c2noc(-c3c(Cl)cccc3Cl)n2)CCCC1 ZINC000041153177 527132126 /nfs/dbraw/zinc/13/21/26/527132126.db2.gz RBKBTAJGPKLLRH-UHFFFAOYSA-N 0 1 298.173 3.771 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@H]2CC(C)(C)C)[nH]1 ZINC000338580032 527152407 /nfs/dbraw/zinc/15/24/07/527152407.db2.gz JYRSQWJBGYBAFC-ZDUSSCGKSA-N 0 1 299.418 3.912 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3ccsc3Cl)c2[nH]1 ZINC000338607443 527157473 /nfs/dbraw/zinc/15/74/73/527157473.db2.gz NHEYWZJEQOXVPR-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN Cc1ncc(C(=O)N2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)[nH]1 ZINC000339225733 527228005 /nfs/dbraw/zinc/22/80/05/527228005.db2.gz ZYACLKVSXLKBPB-CXAGYDPISA-N 0 1 297.402 3.640 20 0 CHADMN Cc1ncc(CN(CCC(F)(F)F)CC2CC2)s1 ZINC000084137485 527253579 /nfs/dbraw/zinc/25/35/79/527253579.db2.gz XRQYOCLHLLMLGJ-UHFFFAOYSA-N 0 1 278.343 3.616 20 0 CHADMN Cc1nccc(CN[C@H](C)c2ccc(F)c3ccccc32)n1 ZINC000339404083 527338827 /nfs/dbraw/zinc/33/88/27/527338827.db2.gz PDCMTFPKGXGVMS-GFCCVEGCSA-N 0 1 295.361 3.928 20 0 CHADMN Cc1nccc(CN[C@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000339208978 527339512 /nfs/dbraw/zinc/33/95/12/527339512.db2.gz HVOGPZYQMQYNDR-SFHVURJKSA-N 0 1 299.393 3.945 20 0 CHADMN Cn1ccc(CN[C@H](c2ccc(Cl)cc2)C2CCC2)n1 ZINC000264535571 527358279 /nfs/dbraw/zinc/35/82/79/527358279.db2.gz MPXSRFSSSJEIEN-INIZCTEOSA-N 0 1 289.810 3.705 20 0 CHADMN O=C(Nc1cccc2ccccc21)c1ccc2cncn2c1 ZINC000339891405 527385362 /nfs/dbraw/zinc/38/53/62/527385362.db2.gz PLMLOSWYNYSMIW-UHFFFAOYSA-N 0 1 287.322 3.740 20 0 CHADMN C(=C\c1ccccc1)\CN1CCC(Oc2ccccn2)CC1 ZINC000350550330 527470555 /nfs/dbraw/zinc/47/05/55/527470555.db2.gz ANTBYQJCXVDCCK-TWGQIWQCSA-N 0 1 294.398 3.638 20 0 CHADMN C(CN1CCCC[C@H]1c1nnc(C2CCC2)o1)C1CC1 ZINC000347302140 527480160 /nfs/dbraw/zinc/48/01/60/527480160.db2.gz JPFCKUCGWNMIHQ-AWEZNQCLSA-N 0 1 275.396 3.664 20 0 CHADMN Cc1ncsc1CN(C)[C@H](C)c1ccc(C)cc1 ZINC000130815788 527500941 /nfs/dbraw/zinc/50/09/41/527500941.db2.gz MESPEPITYRYBML-CYBMUJFWSA-N 0 1 260.406 3.953 20 0 CHADMN FC(F)(F)CCN(Cc1ccc(Cl)nc1)CC1CC1 ZINC000084137464 527664849 /nfs/dbraw/zinc/66/48/49/527664849.db2.gz LNLFESWGNKPCLM-UHFFFAOYSA-N 0 1 292.732 3.899 20 0 CHADMN FC(F)(F)CSc1ccccc1NCc1cnc[nH]1 ZINC000054764472 527672619 /nfs/dbraw/zinc/67/26/19/527672619.db2.gz PCXQQQKKZJXLHL-UHFFFAOYSA-N 0 1 287.310 3.676 20 0 CHADMN Cc1nn(C)cc1CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000130823469 527691431 /nfs/dbraw/zinc/69/14/31/527691431.db2.gz FCSDWYJGJFGRPK-LBPRGKRZSA-N 0 1 277.799 3.575 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000087408186 527696563 /nfs/dbraw/zinc/69/65/63/527696563.db2.gz JQKCCRNNRBDJQE-YPMHNXCESA-N 0 1 283.375 3.887 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NCc1cc(C)cc(Cl)c1 ZINC000339237874 527699973 /nfs/dbraw/zinc/69/99/73/527699973.db2.gz IWEGTBMSKCWLFG-NSHDSACASA-N 0 1 277.799 3.541 20 0 CHADMN CC1(C)Cc2occc2[C@@H](NCc2ccc3cc[nH]c3n2)C1 ZINC000353623264 527780844 /nfs/dbraw/zinc/78/08/44/527780844.db2.gz BBNXNCFSQHKHER-HNNXBMFYSA-N 0 1 295.386 3.959 20 0 CHADMN CC(C)CC[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccoc1 ZINC000353618915 527810326 /nfs/dbraw/zinc/81/03/26/527810326.db2.gz HCEYPXDCCGADLR-CHWSQXEVSA-N 0 1 293.329 3.660 20 0 CHADMN CC(C)CN(Cc1ccncc1)Cc1ccccc1F ZINC000350701450 527949379 /nfs/dbraw/zinc/94/93/79/527949379.db2.gz PWMAPOIMJCDVSM-UHFFFAOYSA-N 0 1 272.367 3.879 20 0 CHADMN CCO[C@H](C)c1nc(CN2CCC[C@H]2C(C)C)cs1 ZINC000347056623 528010055 /nfs/dbraw/zinc/01/00/55/528010055.db2.gz ULWIBOWMUQJZLN-OCCSQVGLSA-N 0 1 282.453 3.861 20 0 CHADMN CCCN(Cc1ccc(F)cc1)Cc1cccc(OC)n1 ZINC000353294086 528139424 /nfs/dbraw/zinc/13/94/24/528139424.db2.gz HIKLYGLTURREPU-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN CC(C)c1cnc(CN2CCCC3(CCOCC3)C2)s1 ZINC000334673034 528215089 /nfs/dbraw/zinc/21/50/89/528215089.db2.gz LDJOWWUOOBOVQA-UHFFFAOYSA-N 0 1 294.464 3.659 20 0 CHADMN CCOc1cc(CNC(C)(C)CF)cc(Cl)c1OC ZINC000349805391 528273114 /nfs/dbraw/zinc/27/31/14/528273114.db2.gz VRJPZVHGALXTFP-UHFFFAOYSA-N 0 1 289.778 3.585 20 0 CHADMN CC(C)c1ncc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)s1 ZINC000334907040 528348706 /nfs/dbraw/zinc/34/87/06/528348706.db2.gz FXPGNRQTMQJJRF-WCQYABFASA-N 0 1 286.391 3.744 20 0 CHADMN CCCc1occc1-c1nc(-c2ccn3cncc3c2)no1 ZINC000347199533 528799742 /nfs/dbraw/zinc/79/97/42/528799742.db2.gz OQMWWDFXWKFAPC-UHFFFAOYSA-N 0 1 294.314 3.597 20 0 CHADMN CCN(Cc1cccc(OC)n1)[C@@H](C)c1ccc(F)cc1 ZINC000353297120 528814634 /nfs/dbraw/zinc/81/46/34/528814634.db2.gz REUFMZMSOUYBIL-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN CCCn1nc(C)c(CN(C)Cc2sccc2C)c1C ZINC000349563521 528874932 /nfs/dbraw/zinc/87/49/32/528874932.db2.gz OSUAHHNULQUVBM-UHFFFAOYSA-N 0 1 291.464 3.912 20 0 CHADMN CCN(Cc1ncc(CSC)s1)[C@H](C)C(C)C ZINC000350767990 528889558 /nfs/dbraw/zinc/88/95/58/528889558.db2.gz RSEDIJUFHIEHMD-LLVKDONJSA-N 0 1 272.483 3.873 20 0 CHADMN CC1(C)CCC(C(=O)Nc2ccc3nc[nH]c3c2)CC1 ZINC000352625749 528896342 /nfs/dbraw/zinc/89/63/42/528896342.db2.gz JBGIGAKDIWGBLE-UHFFFAOYSA-N 0 1 271.364 3.718 20 0 CHADMN CC(C)N(Cc1ncc(Cl)s1)C1CCCC1 ZINC000352003605 528967869 /nfs/dbraw/zinc/96/78/69/528967869.db2.gz REMBMHONRHPYCV-UHFFFAOYSA-N 0 1 258.818 3.950 20 0 CHADMN CC1(C)CCN(Cc2cscc2Br)C1 ZINC000347807773 529012502 /nfs/dbraw/zinc/01/25/02/529012502.db2.gz HJMWNROQTUMNTD-UHFFFAOYSA-N 0 1 274.227 3.743 20 0 CHADMN CC(C)[C@H](NCc1ccccc1)c1ccc(F)cn1 ZINC000353552068 529123484 /nfs/dbraw/zinc/12/34/84/529123484.db2.gz MPIGAOCHYDVQFL-INIZCTEOSA-N 0 1 258.340 3.708 20 0 CHADMN CC[C@@H](NCc1ccc(F)cn1)c1cccc(C)c1 ZINC000353410907 529183557 /nfs/dbraw/zinc/18/35/57/529183557.db2.gz XPGKEEOCLLBOQY-MRXNPFEDSA-N 0 1 258.340 3.770 20 0 CHADMN CC[C@@H](N[C@H](c1nccn1C)C1CC1)c1ccc(C)cc1 ZINC000353886844 529206806 /nfs/dbraw/zinc/20/68/06/529206806.db2.gz WGFFFKBTZUVNBH-SJORKVTESA-N 0 1 283.419 3.921 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1NCc1ncc(C2CC2)o1 ZINC000346537612 529211688 /nfs/dbraw/zinc/21/16/88/529211688.db2.gz RVJFKAZCDVVPOP-TZMCWYRMSA-N 0 1 280.437 3.706 20 0 CHADMN CCSc1ccc([C@@H](C)NCc2n[nH]cc2C)cc1 ZINC000352831881 529246751 /nfs/dbraw/zinc/24/67/51/529246751.db2.gz DDMSXCQSCUNHNF-GFCCVEGCSA-N 0 1 275.421 3.681 20 0 CHADMN CC[C@@H](c1ccccc1OC)N(C)Cc1ccncc1 ZINC000347521704 529258839 /nfs/dbraw/zinc/25/88/39/529258839.db2.gz AMLKSLYWVVBYIB-INIZCTEOSA-N 0 1 270.376 3.673 20 0 CHADMN CN(C)Cc1ccnc(NC(=O)CCCCC(C)(C)C)c1 ZINC000342047266 536048307 /nfs/dbraw/zinc/04/83/07/536048307.db2.gz UUAJHAGNZLORKD-UHFFFAOYSA-N 0 1 291.439 3.688 20 0 CHADMN CC(C)Oc1ccccc1CNCc1ccc(F)cc1 ZINC000032120635 567885896 /nfs/dbraw/zinc/88/58/96/567885896.db2.gz BYDFVRWSQBFKOD-UHFFFAOYSA-N 0 1 273.351 3.903 20 0 CHADMN CC[N@@H+](Cc1ccsc1C(=O)[O-])C1CCCCC1 ZINC000104333259 601806276 /nfs/dbraw/zinc/80/62/76/601806276.db2.gz TWUZZQFDTOTWFN-UHFFFAOYSA-N 0 1 267.394 3.601 20 0 CHADMN Cc1ccccc1[C@H]1CC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000652406876 599716379 /nfs/dbraw/zinc/71/63/79/599716379.db2.gz GIURSRMCWWKJHV-KBPBESRZSA-N 0 1 299.370 3.837 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000037337315 599935682 /nfs/dbraw/zinc/93/56/82/599935682.db2.gz BPVYNRBGCNRUIO-LLVKDONJSA-N 0 1 289.400 3.831 20 0 CHADMN C[C@H](CCc1ccccc1)[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736562427 600080809 /nfs/dbraw/zinc/08/08/09/600080809.db2.gz RKVURHOERAAUCH-CQSZACIVSA-N 0 1 295.382 3.722 20 0 CHADMN CC(C)C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000396844065 600091093 /nfs/dbraw/zinc/09/10/93/600091093.db2.gz OFBFTRFYLITDNY-CQSZACIVSA-N 0 1 279.355 3.534 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])co2)CC1 ZINC000079349657 600216282 /nfs/dbraw/zinc/21/62/82/600216282.db2.gz LCMGMSNDIAJRNG-ZDUSSCGKSA-N 0 1 279.380 3.626 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2ccoc2C(=O)[O-])CC1 ZINC000079349477 600216502 /nfs/dbraw/zinc/21/65/02/600216502.db2.gz WRXFOHRAQFPWBQ-CYBMUJFWSA-N 0 1 279.380 3.626 20 0 CHADMN Cc1ccc(C[N@@H+](CCCC(=O)[O-])Cc2ccco2)s1 ZINC000565797763 600226627 /nfs/dbraw/zinc/22/66/27/600226627.db2.gz XLWMROIKJAMPSA-UHFFFAOYSA-N 0 1 293.388 3.517 20 0 CHADMN C[N@@H+](Cc1ccc(-c2ccccc2)cc1)C(C)(C)C(=O)[O-] ZINC000061172748 600306775 /nfs/dbraw/zinc/30/67/75/600306775.db2.gz ONGNCSWYWFCGNB-UHFFFAOYSA-N 0 1 283.371 3.649 20 0 CHADMN Cc1cccc(C)c1C[N@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000738695735 600432880 /nfs/dbraw/zinc/43/28/80/600432880.db2.gz QIIPSTTUDPFKLW-KRWDZBQOSA-N 0 1 283.371 3.561 20 0 CHADMN C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000736840327 600441666 /nfs/dbraw/zinc/44/16/66/600441666.db2.gz MAXGAVNEPCUMOS-GFCCVEGCSA-N 0 1 299.345 3.643 20 0 CHADMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(C(=O)[O-])c(C)o1 ZINC000736949961 600448436 /nfs/dbraw/zinc/44/84/36/600448436.db2.gz LXBCYLLYTITQQQ-KRWDZBQOSA-N 0 1 299.370 3.796 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000083729602 600509312 /nfs/dbraw/zinc/50/93/12/600509312.db2.gz UHNFFZATDHDYNI-CYBMUJFWSA-N 0 1 279.380 3.544 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC000383815701 600556753 /nfs/dbraw/zinc/55/67/53/600556753.db2.gz KZVNIUPGPUSKLD-ZDUSSCGKSA-N 0 1 269.344 3.578 20 0 CHADMN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000262317449 600973468 /nfs/dbraw/zinc/97/34/68/600973468.db2.gz QLOHLJAHMKFRLZ-GOSISDBHSA-N 0 1 297.398 3.838 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccoc2C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000652427827 600974806 /nfs/dbraw/zinc/97/48/06/600974806.db2.gz QCPKIWXPNGJJNJ-CZUORRHYSA-N 0 1 299.370 3.603 20 0 CHADMN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])co2)CC[C@H]1c1ccccc1 ZINC000568404100 600975074 /nfs/dbraw/zinc/97/50/74/600975074.db2.gz DLDZDTGNOKFLLY-SUMWQHHRSA-N 0 1 299.370 3.603 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])o2)CC[C@@H]1c1ccccc1 ZINC000568067226 600975144 /nfs/dbraw/zinc/97/51/44/600975144.db2.gz PGHBEGKVSWYKAM-CJNGLKHVSA-N 0 1 299.370 3.603 20 0 CHADMN CCC(C)(C)CC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000652459998 600985425 /nfs/dbraw/zinc/98/54/25/600985425.db2.gz YYDVLNCUHUSHFY-UHFFFAOYSA-N 0 1 263.381 3.643 20 0 CHADMN C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000828410401 601042692 /nfs/dbraw/zinc/04/26/92/601042692.db2.gz BEUYBEYPDNJLIO-CSMYWGQOSA-N 0 1 299.345 3.644 20 0 CHADMN C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000828410401 601042694 /nfs/dbraw/zinc/04/26/94/601042694.db2.gz BEUYBEYPDNJLIO-CSMYWGQOSA-N 0 1 299.345 3.644 20 0 CHADMN C/C(=C\C[N@H+]1CCC[C@H]1c1ccccc1Cl)C(=O)[O-] ZINC000825740937 601052339 /nfs/dbraw/zinc/05/23/39/601052339.db2.gz FERXAQQLPTVHSL-ZHZWZMEUSA-N 0 1 279.767 3.508 20 0 CHADMN C[C@@H]1c2ccccc2C[N@H+]1[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000828527799 601117043 /nfs/dbraw/zinc/11/70/43/601117043.db2.gz PCWVAQHQAUEWFP-BDJLRTHQSA-N 0 1 285.318 3.528 20 0 CHADMN C/C(=C\C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000825741228 601155276 /nfs/dbraw/zinc/15/52/76/601155276.db2.gz KLUSWYKEVPZPAW-BMGYJQCNSA-N 0 1 279.767 3.508 20 0 CHADMN C/C(=C\C[N@H+]1CCCCC[C@@H]1c1ccccc1)C(=O)[O-] ZINC000825742233 601158147 /nfs/dbraw/zinc/15/81/47/601158147.db2.gz XCYHQMBMKYTLAG-WSYSLRRZSA-N 0 1 273.376 3.635 20 0 CHADMN Cc1cc2cc(C[NH2+]Cc3ccc(C(=O)[O-])o3)oc2cc1C ZINC000756284813 601255848 /nfs/dbraw/zinc/25/58/48/601255848.db2.gz IRCRGYXADRHPPE-UHFFFAOYSA-N 0 1 299.326 3.631 20 0 CHADMN C[C@@H]([NH2+][C@H](C(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000315454720 601457442 /nfs/dbraw/zinc/45/74/42/601457442.db2.gz OWOJCAVOSBVYBM-PXAZEXFGSA-N 0 1 295.338 3.909 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)Cc2ccccc21 ZINC000828455979 601615097 /nfs/dbraw/zinc/61/50/97/601615097.db2.gz HOBNBZPMTCKLIU-GFCCVEGCSA-N 0 1 299.345 3.643 20 0 CHADMN C[N@@H+](Cc1ccsc1C(=O)[O-])Cc1cccc(Cl)c1 ZINC000110955731 601804120 /nfs/dbraw/zinc/80/41/20/601804120.db2.gz ANWZQGZMICYVLQ-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000579240384 601804220 /nfs/dbraw/zinc/80/42/20/601804220.db2.gz LZQWILALDFWFCL-NSHDSACASA-N 0 1 293.413 3.845 20 0 CHADMN C[C@@H]1CCC[N@H+]1[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000568060377 602046995 /nfs/dbraw/zinc/04/69/95/602046995.db2.gz BPRGXAKUUDCQEX-PRHODGIISA-N 0 1 288.174 3.603 20 0 CHADMN CC[C@@H](Nc1ccc([N@@H+]2CCCC[C@@H]2C)cc1C)C(=O)[O-] ZINC000828999115 602099137 /nfs/dbraw/zinc/09/91/37/602099137.db2.gz QTULPYSARNEAJO-DZGCQCFKSA-N 0 1 290.407 3.649 20 0 CHADMN CC[C@@H](Nc1ccc([N@H+]2CCCC[C@@H]2C)cc1C)C(=O)[O-] ZINC000828999115 602099139 /nfs/dbraw/zinc/09/91/39/602099139.db2.gz QTULPYSARNEAJO-DZGCQCFKSA-N 0 1 290.407 3.649 20 0 CHADMN O=C([O-])c1sc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000706835953 602208449 /nfs/dbraw/zinc/20/84/49/602208449.db2.gz JZNKCVKREMVNHP-GXFFZTMASA-N 0 1 287.384 3.584 20 0 CHADMN Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])co2)c1 ZINC000832925716 602330725 /nfs/dbraw/zinc/33/07/25/602330725.db2.gz BCDLBNNVIQRBCP-KRWDZBQOSA-N 0 1 299.370 3.932 20 0 CHADMN CCc1ccc(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000833669856 604645322 /nfs/dbraw/zinc/64/53/22/604645322.db2.gz HHHCWPAPBWLHLP-OAHLLOKOSA-N 0 1 289.400 3.568 20 0 CHADMN C[C@@H](c1ccc(F)cc1)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833547214 604847638 /nfs/dbraw/zinc/84/76/38/604847638.db2.gz BHZXHJMNNMCWQJ-LBPRGKRZSA-N 0 1 299.345 3.643 20 0 CHADMN CC(C)[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)[O-])nc1 ZINC000824350472 605480992 /nfs/dbraw/zinc/48/09/92/605480992.db2.gz CYYPCXSREIQGJU-UHFFFAOYSA-N 0 1 299.374 3.582 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1cccc(F)c1 ZINC000000321230 948772622 /nfs/dbraw/zinc/77/26/22/948772622.db2.gz JLFHIOVKQWUBPC-UHFFFAOYSA-N 0 1 291.322 3.528 20 0 CHADMN C[C@@H](c1cccc2ccccc21)[N@@H+](C)CCCC(=O)[O-] ZINC000086802372 949065601 /nfs/dbraw/zinc/06/56/01/949065601.db2.gz MJWPJJMSTOFBGL-ZDUSSCGKSA-N 0 1 271.360 3.697 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000132293317 949306731 /nfs/dbraw/zinc/30/67/31/949306731.db2.gz GEQRKVHJXKJECJ-INIZCTEOSA-N 0 1 297.345 3.701 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC=C(c3ccccc3)C2)cc1 ZINC001595227450 949318530 /nfs/dbraw/zinc/31/85/30/949318530.db2.gz JNZZAAJTEGKQDL-UHFFFAOYSA-N 0 1 293.366 3.674 20 0 CHADMN Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000235786068 949880408 /nfs/dbraw/zinc/88/04/08/949880408.db2.gz CELSQGIWKMXKCA-ZDUSSCGKSA-N 0 1 295.810 3.725 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CCc1ccc(Cl)cc1 ZINC000308438210 950638831 /nfs/dbraw/zinc/63/88/31/950638831.db2.gz SSXRFDNSYSXQLY-HNNXBMFYSA-N 0 1 295.810 3.602 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)[C@H](C)C1 ZINC000381531169 971763325 /nfs/dbraw/zinc/76/33/25/971763325.db2.gz PKHSXQUSKWOWDN-GHMZBOCLSA-N 0 1 281.783 3.659 20 0 CHADMN CCC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC000383584973 971878067 /nfs/dbraw/zinc/87/80/67/971878067.db2.gz PUWYKDWWXBTYFI-UHFFFAOYSA-N 0 1 283.371 3.797 20 0 CHADMN O=C([O-])C[C@@H]1CCCC[N@H+]1CCCc1ccccc1Cl ZINC000652463351 954085941 /nfs/dbraw/zinc/08/59/41/954085941.db2.gz AXENXDURDRKGAG-AWEZNQCLSA-N 0 1 295.810 3.602 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)Cc2ccccc21 ZINC001589398562 954385162 /nfs/dbraw/zinc/38/51/62/954385162.db2.gz DXPDEEHVKSEMJH-CYBMUJFWSA-N 0 1 281.355 3.504 20 0 CHADMN CC[N@@H+](CC1CCC(C(C)(C)C)CC1)[C@H](C)C(=O)[O-] ZINC000662218422 954386482 /nfs/dbraw/zinc/38/64/82/954386482.db2.gz ZUPICRYJHPLSEC-IYXRBSQSSA-N 0 1 269.429 3.634 20 0 CHADMN C[C@@H](Cc1ccsc1)[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC001589081886 955862805 /nfs/dbraw/zinc/86/28/05/955862805.db2.gz BDVMAOFIQYHWAM-JTQLQIEISA-N 0 1 295.429 3.571 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1cc(Cl)cc2ccccc21)C(=O)[O-] ZINC000903404973 956831027 /nfs/dbraw/zinc/83/10/27/956831027.db2.gz LNPSARSGLMJCMO-NSHDSACASA-N 0 1 291.778 3.646 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC3(CCCC3)C2)s1 ZINC000903684664 956864167 /nfs/dbraw/zinc/86/41/67/956864167.db2.gz DYMSOSMJSPNCBJ-UHFFFAOYSA-N 0 1 279.405 3.603 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCC[C@H](C3CCC3)CC2)CCC1 ZINC000903707019 956902324 /nfs/dbraw/zinc/90/23/24/956902324.db2.gz QLPRQDSDPQTVMA-HNNXBMFYSA-N 0 1 279.424 3.534 20 0 CHADMN c1coc(-c2ccc(NCc3ccc4nc[nH]c4c3)cc2)n1 ZINC000536574415 1125466830 /nfs/dbraw/zinc/46/68/30/1125466830.db2.gz AFVUKTNOOJDULK-UHFFFAOYSA-N 0 1 290.326 3.830 20 0 CHADMN CCCC[N@@H+](C)Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000036928266 957245880 /nfs/dbraw/zinc/24/58/80/957245880.db2.gz MDDDIAWISSQWLF-UHFFFAOYSA-N 0 1 295.379 3.971 20 0 CHADMN O=C([O-])[C@@H]([NH2+]Cc1cccs1)c1ccc2ccccc2c1 ZINC000037966566 957340067 /nfs/dbraw/zinc/34/00/67/957340067.db2.gz RZCFQCBLOWDFRU-INIZCTEOSA-N 0 1 297.379 3.817 20 0 CHADMN O=C([O-])c1ccc(F)c(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000062752755 957608702 /nfs/dbraw/zinc/60/87/02/957608702.db2.gz ZCXUELWABWVSOH-LRDDRELGSA-N 0 1 291.366 3.679 20 0 CHADMN C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(C(=O)[O-])ccc1F ZINC000062755141 957609684 /nfs/dbraw/zinc/60/96/84/957609684.db2.gz XSQNXDCAUSINCQ-ABAIWWIYSA-N 0 1 279.355 3.534 20 0 CHADMN C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC000062755139 957609982 /nfs/dbraw/zinc/60/99/82/957609982.db2.gz MXLHNKPMJRQFFV-IAQYHMDHSA-N 0 1 279.355 3.534 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000079417719 957755792 /nfs/dbraw/zinc/75/57/92/957755792.db2.gz OAXUNTJAGSUZQW-LBPRGKRZSA-N 0 1 279.355 3.536 20 0 CHADMN CC[N@@H+](Cc1cccc(Cl)c1Cl)C(C)(C)C(=O)[O-] ZINC000086759426 957984148 /nfs/dbraw/zinc/98/41/48/957984148.db2.gz UTAINKVYGLUEKH-UHFFFAOYSA-N 0 1 290.190 3.679 20 0 CHADMN C[C@@H]1CCC[C@H](C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000089627217 958075126 /nfs/dbraw/zinc/07/51/26/958075126.db2.gz JIBNXUSSQZCOBZ-HIFRSBDPSA-N 0 1 275.392 3.643 20 0 CHADMN C[C@H]1CCC[C@@H](C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000089627226 958075876 /nfs/dbraw/zinc/07/58/76/958075876.db2.gz JIBNXUSSQZCOBZ-DZGCQCFKSA-N 0 1 275.392 3.643 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+](C)Cc1ccccc1Cl ZINC000091780933 958151890 /nfs/dbraw/zinc/15/18/90/958151890.db2.gz CRHKTSVZIZMRAC-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)Cc1ccccc1Cl ZINC000091780933 958151903 /nfs/dbraw/zinc/15/19/03/958151903.db2.gz CRHKTSVZIZMRAC-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN CC[N@@H+](Cc1cccs1)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000091781146 958152187 /nfs/dbraw/zinc/15/21/87/958152187.db2.gz VIZYZSMIIGBKQR-JTQLQIEISA-N 0 1 279.361 3.622 20 0 CHADMN CC(C)Cc1ccc(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000094904698 958319531 /nfs/dbraw/zinc/31/95/31/958319531.db2.gz WTVAPSJNKYCMCW-GOSISDBHSA-N 0 1 289.419 3.572 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000122799287 958488154 /nfs/dbraw/zinc/48/81/54/958488154.db2.gz OVTATECWTFJJDG-NSHDSACASA-N 0 1 299.773 3.556 20 0 CHADMN C[C@@H]1CCC[C@H](C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)C1 ZINC000124626792 958541486 /nfs/dbraw/zinc/54/14/86/958541486.db2.gz HCPBLIUBCTYEGE-KGLIPLIRSA-N 0 1 287.403 3.569 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000131703269 958754652 /nfs/dbraw/zinc/75/46/52/958754652.db2.gz GUGPVZHQUVXQHC-GFCCVEGCSA-N 0 1 297.345 3.701 20 0 CHADMN Cc1scc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C)c2)c1C ZINC001594398259 958797937 /nfs/dbraw/zinc/79/79/37/958797937.db2.gz UKQFPVDNWFDDCD-OAHLLOKOSA-N 0 1 289.400 3.589 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c(C)s1 ZINC000135046381 958883381 /nfs/dbraw/zinc/88/33/81/958883381.db2.gz FRACWDNNLDRJJF-CQSZACIVSA-N 0 1 295.448 3.688 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2cnoc2C)o1 ZINC000128758000 1125469422 /nfs/dbraw/zinc/46/94/22/1125469422.db2.gz PBHCVHXXVGYOJL-XHDPSFHLSA-N 0 1 274.364 3.858 20 0 CHADMN C[C@H]1C[C@H]([N@H+]2CCC[C@@]2(C)C(=O)[O-])c2ccsc2S1 ZINC001594245320 959560982 /nfs/dbraw/zinc/56/09/82/959560982.db2.gz KRGDMSAJYJFAGG-CHIMOYNISA-N 0 1 297.445 3.613 20 0 CHADMN Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000223499667 959835683 /nfs/dbraw/zinc/83/56/83/959835683.db2.gz YXKDMDIEQKNWIU-HUUCEWRRSA-N 0 1 289.419 3.879 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000227407580 959948453 /nfs/dbraw/zinc/94/84/53/959948453.db2.gz VEPTZCWNMMWMIY-MFKMUULPSA-N 0 1 281.421 3.765 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](C)CCc1ccccc1C(=O)[O-] ZINC000228516842 960020924 /nfs/dbraw/zinc/02/09/24/960020924.db2.gz ZRMLAYLHYANHHZ-CQSZACIVSA-N 0 1 283.371 3.620 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000232763433 960294840 /nfs/dbraw/zinc/29/48/40/960294840.db2.gz PFOJVWDKXKOZGI-AWEZNQCLSA-N 0 1 293.382 3.782 20 0 CHADMN Cc1oncc1CN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000129122555 1125472307 /nfs/dbraw/zinc/47/23/07/1125472307.db2.gz IKTGEDKGWQBPAJ-UHFFFAOYSA-N 0 1 288.778 3.926 20 0 CHADMN COc1cccc([C@H](C)N[C@H](C)c2cncs2)c1 ZINC000129211094 1125472417 /nfs/dbraw/zinc/47/24/17/1125472417.db2.gz RXZITUIACRSQSK-WDEREUQCSA-N 0 1 262.378 3.564 20 0 CHADMN CC(C)CN(C(=O)CN(C)C(C)C)c1cccc(Cl)c1 ZINC000622666328 1117752536 /nfs/dbraw/zinc/75/25/36/1117752536.db2.gz UFNZUHSUGOSRGE-UHFFFAOYSA-N 0 1 296.842 3.669 20 0 CHADMN Cc1csc(CN(C)CCCCc2ccccc2)n1 ZINC000129454355 1125474866 /nfs/dbraw/zinc/47/48/66/1125474866.db2.gz NIEAKRGJEZTJEN-UHFFFAOYSA-N 0 1 274.433 3.906 20 0 CHADMN Cc1oc(C[N@H+](C)Cc2ccccc2C2CC2)cc1C(=O)[O-] ZINC001327199593 961146282 /nfs/dbraw/zinc/14/62/82/961146282.db2.gz XSAHPQYEEOEFQA-UHFFFAOYSA-N 0 1 299.370 3.796 20 0 CHADMN C[C@H]1CCN(Cc2ncc(-c3ccc(F)cc3)o2)C[C@H]1C ZINC000536589993 1125478044 /nfs/dbraw/zinc/47/80/44/1125478044.db2.gz WSANHLMIXXJGDC-QWHCGFSZSA-N 0 1 288.366 3.959 20 0 CHADMN CCc1oc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1C(=O)[O-] ZINC001332432495 961574796 /nfs/dbraw/zinc/57/47/96/961574796.db2.gz DFZSOAMCGIWRLG-CHWSQXEVSA-N 0 1 291.391 3.552 20 0 CHADMN Cc1cnccc1CN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000648509873 1117879190 /nfs/dbraw/zinc/87/91/90/1117879190.db2.gz HGJOHUQPAKNSAZ-DGCLKSJQSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1ccc(-c2noc(CN3CC[C@@H](C)[C@H](C)C3)n2)cc1 ZINC000536591193 1125479069 /nfs/dbraw/zinc/47/90/69/1125479069.db2.gz AYRHKXPSJJSTFM-ZIAGYGMSSA-N 0 1 285.391 3.523 20 0 CHADMN CC(C)(C)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000262743381 961841379 /nfs/dbraw/zinc/84/13/79/961841379.db2.gz ASKDLKNPRHAJPX-AWEZNQCLSA-N 0 1 275.392 3.643 20 0 CHADMN C[N@@H+](CCC(C)(C)C)[C@H](C(=O)[O-])c1ccccc1Cl ZINC001349593394 962475845 /nfs/dbraw/zinc/47/58/45/962475845.db2.gz YSERSEMGKPUBPT-ZDUSSCGKSA-N 0 1 283.799 3.834 20 0 CHADMN CCn1cc(CNCc2ccccc2OC2CCCC2)cn1 ZINC000112096897 1125484387 /nfs/dbraw/zinc/48/43/87/1125484387.db2.gz UOMCWNIVQZQFTB-UHFFFAOYSA-N 0 1 299.418 3.514 20 0 CHADMN CC[N@@H+](Cc1cc(Cl)sc1Cl)C(C)(C)C(=O)[O-] ZINC000308352477 963269454 /nfs/dbraw/zinc/26/94/54/963269454.db2.gz DSRIMCSBLXGEAX-UHFFFAOYSA-N 0 1 296.219 3.740 20 0 CHADMN CC(C)C(C[N@@H+](C)C1(C(=O)[O-])CCCCC1)C(C)C ZINC000311555615 963489758 /nfs/dbraw/zinc/48/97/58/963489758.db2.gz JPXOIVFKMZMOHP-UHFFFAOYSA-N 0 1 269.429 3.634 20 0 CHADMN C[C@H]1CCC[C@H](C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000312676952 963583240 /nfs/dbraw/zinc/58/32/40/963583240.db2.gz CJERCSMHSNYLAJ-STQMWFEESA-N 0 1 273.376 3.527 20 0 CHADMN CC(C)C(C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1)C(C)C ZINC000313991431 963697317 /nfs/dbraw/zinc/69/73/17/963697317.db2.gz RPGFTRGQXJCWNW-QGZVFWFLSA-N 0 1 289.419 3.599 20 0 CHADMN C[C@H](C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1)C1CCCCC1 ZINC000314381486 963746651 /nfs/dbraw/zinc/74/66/51/963746651.db2.gz UAJNTCJBLGSUGG-CYBMUJFWSA-N 0 1 287.403 3.917 20 0 CHADMN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000314630254 963780904 /nfs/dbraw/zinc/78/09/04/963780904.db2.gz ISTSMGAHQWJVDW-GHMZBOCLSA-N 0 1 290.388 3.562 20 0 CHADMN CC(C)Cc1ccc(C[N@@H+](C)C2(C(=O)[O-])CCCC2)cc1 ZINC000315099833 963856533 /nfs/dbraw/zinc/85/65/33/963856533.db2.gz GYXUMWIRRZHDBL-UHFFFAOYSA-N 0 1 289.419 3.714 20 0 CHADMN Clc1ccc(CN[C@@H](c2cccnc2)C2CC2)o1 ZINC000340103099 1118065832 /nfs/dbraw/zinc/06/58/32/1118065832.db2.gz DIVVZPHIZKVJSJ-CQSZACIVSA-N 0 1 262.740 3.569 20 0 CHADMN CC(C)(C)C1CCC(C[N@H+](CC(=O)[O-])CC2CC2)CC1 ZINC000130288231 967624838 /nfs/dbraw/zinc/62/48/38/967624838.db2.gz ZERZQNNWWYTYTB-UHFFFAOYSA-N 0 1 281.440 3.636 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@H](C)c2ccc(F)cc2F)C1 ZINC000251340571 967794265 /nfs/dbraw/zinc/79/42/65/967794265.db2.gz ZMCWJQDQIKSMBD-BZNIZROVSA-N 0 1 297.345 3.603 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@@H+](CC(=O)[O-])CC(C)(C)C)C1 ZINC000662223199 968757676 /nfs/dbraw/zinc/75/76/76/968757676.db2.gz NLDPAWOWWIFRNE-ZIAGYGMSSA-N 0 1 269.429 3.636 20 0 CHADMN O=C([O-])C1(CC[N@@H+](CC2CC2)C2CCCCC2)CCC1 ZINC000903696421 969590848 /nfs/dbraw/zinc/59/08/48/969590848.db2.gz WGKFRKNMAVYTPF-UHFFFAOYSA-N 0 1 279.424 3.676 20 0 CHADMN O=C([O-])C1(CC[N@H+]2Cc3ccccc3C3(CCC3)C2)CCC1 ZINC001334762106 969728711 /nfs/dbraw/zinc/72/87/11/969728711.db2.gz FHDVPKVKTGHLRL-UHFFFAOYSA-N 0 1 299.414 3.569 20 0 CHADMN CCCc1ccc(C[N@H+]2CCC[C@](CC)(C(=O)[O-])C2)cc1 ZINC001350908902 969772444 /nfs/dbraw/zinc/77/24/44/969772444.db2.gz GJUAHTKTVJJWQQ-SFHVURJKSA-N 0 1 289.419 3.716 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC3(CCCC3)C2)c1Cl ZINC000394582786 972719589 /nfs/dbraw/zinc/71/95/89/972719589.db2.gz QWYORMDVSLXAJK-UHFFFAOYSA-N 0 1 293.794 3.804 20 0 CHADMN C[N@@H+](Cc1cccc(C(=O)[O-])c1Cl)C1CC(C)(C)C1 ZINC000395459607 972799399 /nfs/dbraw/zinc/79/93/99/972799399.db2.gz NSHYTSJNAZSTMI-UHFFFAOYSA-N 0 1 281.783 3.659 20 0 CHADMN C[C@@]1([NH2+]Cc2cccc([O-])c2Br)CC=CCC1 ZINC000398287858 1118116617 /nfs/dbraw/zinc/11/66/17/1118116617.db2.gz ZUQOQGJVKUGVSR-CQSZACIVSA-N 0 1 296.208 3.743 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccc(C(=O)[O-])c(F)c1)C(C)(C)C ZINC000399396611 973218144 /nfs/dbraw/zinc/21/81/44/973218144.db2.gz QFMFHHOZVFESCN-NSHDSACASA-N 0 1 281.371 3.638 20 0 CHADMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC000399484691 973222356 /nfs/dbraw/zinc/22/23/56/973222356.db2.gz BSDXXKHFLMTTJJ-PWSUYJOCSA-N 0 1 281.783 3.659 20 0 CHADMN O=C([O-])CCC[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC001606171737 973418764 /nfs/dbraw/zinc/41/87/64/973418764.db2.gz AUISXAMWCNXNIO-UHFFFAOYSA-N 0 1 299.773 3.556 20 0 CHADMN C[C@@H](NC1CC(C)(C)CC(C)(C)C1)c1csnn1 ZINC000398305992 1118122801 /nfs/dbraw/zinc/12/28/01/1118122801.db2.gz PMPKJARBPOIXTJ-SNVBAGLBSA-N 0 1 267.442 3.794 20 0 CHADMN CC1(C)[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000515490291 974299326 /nfs/dbraw/zinc/29/93/26/974299326.db2.gz LZTVDPKOJQLZBK-HNNXBMFYSA-N 0 1 299.370 3.746 20 0 CHADMN O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](CCC2=CCCCC2)C1 ZINC000519552228 974330911 /nfs/dbraw/zinc/33/09/11/974330911.db2.gz VDCCGVXPTSFGNP-IBGZPJMESA-N 0 1 299.414 3.605 20 0 CHADMN C[C@H](C[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000530173924 974362644 /nfs/dbraw/zinc/36/26/44/974362644.db2.gz SCVIPJIEECFCSH-PBHICJAKSA-N 0 1 289.419 3.961 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000566362057 974609472 /nfs/dbraw/zinc/60/94/72/974609472.db2.gz PERQVXGSNVCOQA-IUODEOHRSA-N 0 1 295.810 3.978 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000566921109 974624765 /nfs/dbraw/zinc/62/47/65/974624765.db2.gz WPAAKUDSMGLTQW-ZDUSSCGKSA-N 0 1 287.762 3.554 20 0 CHADMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000567359438 974633102 /nfs/dbraw/zinc/63/31/02/974633102.db2.gz VKGQZLDUZVDRAR-WBMJQRKESA-N 0 1 293.382 3.925 20 0 CHADMN Cc1cc(C[N@@H+](C2CC2)C2CCC(C)CC2)oc1C(=O)[O-] ZINC000568060413 974655691 /nfs/dbraw/zinc/65/56/91/974655691.db2.gz CJYYMTBCAZVWKW-UHFFFAOYSA-N 0 1 291.391 3.829 20 0 CHADMN CCC(CC)C[N@@H+](CC)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000568060574 974655883 /nfs/dbraw/zinc/65/58/83/974655883.db2.gz HANKDDVDIGZGAW-OAHLLOKOSA-N 0 1 281.371 3.710 20 0 CHADMN CC[N@@H+](CCc1ccccc1C(=O)[O-])Cc1cccs1 ZINC000568061916 974656983 /nfs/dbraw/zinc/65/69/83/974656983.db2.gz WYKFXVZLXCIXND-UHFFFAOYSA-N 0 1 289.400 3.511 20 0 CHADMN O=C([O-])c1occc1C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000568061002 974657182 /nfs/dbraw/zinc/65/71/82/974657182.db2.gz WKTYCHSFCFQUTD-HNNXBMFYSA-N 0 1 291.391 3.913 20 0 CHADMN Cc1oc(C[N@@H+](C)C[C@@H]2C[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000568064424 974658405 /nfs/dbraw/zinc/65/84/05/974658405.db2.gz DOIGOWRVGHIHBR-YOEHRIQHSA-N 0 1 299.370 3.522 20 0 CHADMN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CC12CCC(CC1)C2 ZINC000568296445 974668196 /nfs/dbraw/zinc/66/81/96/974668196.db2.gz JZTWIQAHAMTKBX-LBXLTVQDSA-N 0 1 299.414 3.857 20 0 CHADMN CC(C)C[C@@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000571649632 974733245 /nfs/dbraw/zinc/73/32/45/974733245.db2.gz SHPWEAQVAGWYPM-INIZCTEOSA-N 0 1 290.407 3.571 20 0 CHADMN Cc1cccc([C@H]2CCC[N@H+]2Cc2ccoc2C(=O)[O-])c1 ZINC000575065595 974794636 /nfs/dbraw/zinc/79/46/36/974794636.db2.gz RQOSQRXLSUEPPX-OAHLLOKOSA-N 0 1 285.343 3.623 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000579722429 974882208 /nfs/dbraw/zinc/88/22/08/974882208.db2.gz KDTLOJXJURNLOO-SNVBAGLBSA-N 0 1 281.421 3.623 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCc2c(cccc2C(C)C)C1 ZINC000579967718 974886566 /nfs/dbraw/zinc/88/65/66/974886566.db2.gz VEIVZSRYUWPWRY-QGZVFWFLSA-N 0 1 289.419 3.667 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000582425816 974926245 /nfs/dbraw/zinc/92/62/45/974926245.db2.gz PFDNPNCYYSOSHH-BFYDXBDKSA-N 0 1 289.419 3.816 20 0 CHADMN CCc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])o3)C2)cc1 ZINC000584422446 974955281 /nfs/dbraw/zinc/95/52/81/974955281.db2.gz XORQDGRHKMFRRP-OAHLLOKOSA-N 0 1 299.370 3.530 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@H](C3CCC3)CC2)cc1C(=O)[O-] ZINC000634697128 975274681 /nfs/dbraw/zinc/27/46/81/975274681.db2.gz BAIUPLXHRIZYPH-AWEZNQCLSA-N 0 1 291.391 3.688 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2CC2(CC(=O)[O-])CC2)cc1C ZINC000652398878 975522392 /nfs/dbraw/zinc/52/23/92/975522392.db2.gz DLPXQQMMIFLWHO-INIZCTEOSA-N 0 1 287.403 3.695 20 0 CHADMN CCC[C@@]1(C)CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000652419421 975528389 /nfs/dbraw/zinc/52/83/89/975528389.db2.gz UQFBZBQFVGGUCF-WBVHZDCISA-N 0 1 293.382 3.854 20 0 CHADMN Cc1cc(C)cc([C@@H]2CC[N@@H+](Cc3cc(C(=O)[O-])co3)C2)c1 ZINC000652443633 975534972 /nfs/dbraw/zinc/53/49/72/975534972.db2.gz KOLZIYRVNWMTKZ-CQSZACIVSA-N 0 1 299.370 3.584 20 0 CHADMN Cc1ccc(CCC[N@@H+](CC(=O)[O-])C2CCCCC2)cc1 ZINC000652482093 975548635 /nfs/dbraw/zinc/54/86/35/975548635.db2.gz MXXKOCFVRAZKFI-UHFFFAOYSA-N 0 1 289.419 3.647 20 0 CHADMN C[C@H](C[N@@H+](CC(=O)[O-])C1CCCCC1)C1CCCCC1 ZINC000652482181 975549288 /nfs/dbraw/zinc/54/92/88/975549288.db2.gz QVBTUGLPQBSXRV-CQSZACIVSA-N 0 1 281.440 3.922 20 0 CHADMN O=C([O-])C[N@@H+](Cc1cccc(C(F)F)c1)C1CCCCC1 ZINC000652481315 975549445 /nfs/dbraw/zinc/54/94/45/975549445.db2.gz JVUUDBFKOUGPQK-UHFFFAOYSA-N 0 1 297.345 3.844 20 0 CHADMN CCCC[C@H](CC)C[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000652482696 975551218 /nfs/dbraw/zinc/55/12/18/975551218.db2.gz QPBSQPBDXHZEEJ-AWEZNQCLSA-N 0 1 269.429 3.922 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCCC2(CCCC2)CC1 ZINC000656758387 975686852 /nfs/dbraw/zinc/68/68/52/975686852.db2.gz HVFOLBVFCBGONT-UHFFFAOYSA-N 0 1 291.391 3.833 20 0 CHADMN O=C([O-])[C@H](c1ccsc1)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656760800 975688664 /nfs/dbraw/zinc/68/86/64/975688664.db2.gz HYYHHOYZIJSTFH-HIFRSBDPSA-N 0 1 293.432 3.776 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000656762189 975689144 /nfs/dbraw/zinc/68/91/44/975689144.db2.gz AIFWGCQVJYNUJM-UHFFFAOYSA-N 0 1 279.380 3.688 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656761349 975689249 /nfs/dbraw/zinc/68/92/49/975689249.db2.gz PEJPVTYXSAJBDK-CQSZACIVSA-N 0 1 291.391 3.688 20 0 CHADMN CCC1(CC)CCC[N@H+]([C@H](C(=O)[O-])c2ccsc2)C1 ZINC000656762960 975690429 /nfs/dbraw/zinc/69/04/29/975690429.db2.gz IXZZLCRIXUNPIH-ZDUSSCGKSA-N 0 1 281.421 3.776 20 0 CHADMN CC(C)(CC[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)C1CC1 ZINC000656763657 975692598 /nfs/dbraw/zinc/69/25/98/975692598.db2.gz CHUDVQHGFXMJQQ-HRCADAONSA-N 0 1 293.451 3.778 20 0 CHADMN Cc1cccc(CCC[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000659790453 975877254 /nfs/dbraw/zinc/87/72/54/975877254.db2.gz ABUMSYQCCBQNNS-UHFFFAOYSA-N 0 1 295.382 3.642 20 0 CHADMN CCCCC[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000659803413 975894043 /nfs/dbraw/zinc/89/40/43/975894043.db2.gz HEWGJNOWSBAWFE-AWEZNQCLSA-N 0 1 279.380 3.913 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCCC[C@H]2CC2CCC2)cs1 ZINC000659804016 975895042 /nfs/dbraw/zinc/89/50/42/975895042.db2.gz SBKCSRCXSPBCOY-AWEZNQCLSA-N 0 1 293.432 3.991 20 0 CHADMN CC(C)c1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c(C(C)C)c1 ZINC000676229796 976030155 /nfs/dbraw/zinc/03/01/55/976030155.db2.gz IEDHVIUYVTYBHA-MRXNPFEDSA-N 0 1 289.419 3.840 20 0 CHADMN CC(C)c1[nH]c(C[N@H+]2CC(C)(C)[C@@H]2C(C)C)cc1C(=O)[O-] ZINC001591910657 976324968 /nfs/dbraw/zinc/32/49/68/976324968.db2.gz LKEAOJRRRILGHJ-HNNXBMFYSA-N 0 1 292.423 3.703 20 0 CHADMN CC(C)c1[nH]c(C[N@H+]([C@@H](C)C(C)C)C2CC2)cc1C(=O)[O-] ZINC001591910949 976327631 /nfs/dbraw/zinc/32/76/31/976327631.db2.gz QWQPPVMYTOKNBF-LBPRGKRZSA-N 0 1 292.423 3.845 20 0 CHADMN CC[C@@H](N[C@H](C)c1c[nH]nc1C)c1ccccc1F ZINC000655795673 1118214624 /nfs/dbraw/zinc/21/46/24/1118214624.db2.gz FALNYEQDHBXUAR-MEBBXXQBSA-N 0 1 261.344 3.659 20 0 CHADMN CO[C@@H](CN[C@H](C)c1nc(C(C)(C)C)cs1)C1CCC1 ZINC001347114444 1118306312 /nfs/dbraw/zinc/30/63/12/1118306312.db2.gz SUTLGXIJVOWNGO-YPMHNXCESA-N 0 1 296.480 3.906 20 0 CHADMN CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C/C=C(/C)C(=O)[O-] ZINC000846244006 979421313 /nfs/dbraw/zinc/42/13/13/979421313.db2.gz RTHKBQISRHJIJS-ZJCQAOIJSA-N 0 1 287.403 3.676 20 0 CHADMN CC[N@H+](Cc1ccc(-c2ccccc2C(=O)[O-])o1)CC1CC1 ZINC000859786802 979630960 /nfs/dbraw/zinc/63/09/60/979630960.db2.gz ZBMSHNCPEOEHJL-UHFFFAOYSA-N 0 1 299.370 3.877 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)ccc1Cl ZINC000871621731 979961666 /nfs/dbraw/zinc/96/16/66/979961666.db2.gz NAWWSCPJBMYOMM-CYBMUJFWSA-N 0 1 295.810 3.725 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](Cc1cc(C(=O)[O-])cs1)C1CC1 ZINC000872156879 980039315 /nfs/dbraw/zinc/03/93/15/980039315.db2.gz IZEQJAMDBIHTLF-JTQLQIEISA-N 0 1 291.372 3.765 20 0 CHADMN C[C@H](C[N@H+]1Cc2ccccc2C[C@H]1C(=O)[O-])CC(C)(C)C ZINC000872159512 980043242 /nfs/dbraw/zinc/04/32/42/980043242.db2.gz IWVLDCKUBOHBJA-BBRMVZONSA-N 0 1 289.419 3.570 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)c1 ZINC000872160480 980047389 /nfs/dbraw/zinc/04/73/89/980047389.db2.gz HKPIWTXPVQQILF-GDBMZVCRSA-N 0 1 297.398 3.752 20 0 CHADMN CC1(C)[C@@H](c2ccccc2Cl)CC[N@H+]1CCCC(=O)[O-] ZINC000880288762 980204221 /nfs/dbraw/zinc/20/42/21/980204221.db2.gz GCZPEYSPBQLZQM-CYBMUJFWSA-N 0 1 295.810 3.773 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCC3(CCCCC3)CC2)C1 ZINC000901492155 980315715 /nfs/dbraw/zinc/31/57/15/980315715.db2.gz VUDIYBWYTZQHBB-OAHLLOKOSA-N 0 1 279.424 3.534 20 0 CHADMN C/C=C/C[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])c(CC)o2)C1 ZINC000901542294 980371033 /nfs/dbraw/zinc/37/10/33/980371033.db2.gz COIIHFAANFQUHJ-LQPUYASZSA-N 0 1 291.391 3.718 20 0 CHADMN C[C@@H]1CCC[C@@H](C[N@H+]2CCc3cc(C(=O)[O-])ccc3C2)C1 ZINC000901668377 980435008 /nfs/dbraw/zinc/43/50/08/980435008.db2.gz DNKBPYFZYODBBC-ZIAGYGMSSA-N 0 1 287.403 3.569 20 0 CHADMN C[C@H](C[N@H+]1CCC[C@](C)(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000901701809 980457105 /nfs/dbraw/zinc/45/71/05/980457105.db2.gz XWFJWTOKMGKOCQ-WBMJQRKESA-N 0 1 295.810 3.630 20 0 CHADMN O=C([O-])[C@]12C[N@@H+](Cc3coc4ccccc34)C[C@H]1CCCC2 ZINC000901918261 980626881 /nfs/dbraw/zinc/62/68/81/980626881.db2.gz XNMBEXZHIYZAKD-RDTXWAMCSA-N 0 1 299.370 3.510 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000901992096 980671176 /nfs/dbraw/zinc/67/11/76/980671176.db2.gz FXOBOCLDWUXHEG-ZIAGYGMSSA-N 0 1 281.440 3.778 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000902006434 980683986 /nfs/dbraw/zinc/68/39/86/980683986.db2.gz GOTIMPZYDWMGLG-UKRRQHHQSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000902040088 980710291 /nfs/dbraw/zinc/71/02/91/980710291.db2.gz XSPGNQHXROHDJF-UHFFFAOYSA-N 0 1 295.810 3.786 20 0 CHADMN C[N@@H+](CCC1CCCCC1)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902211259 980784649 /nfs/dbraw/zinc/78/46/49/980784649.db2.gz OLNJXMBPXSULCP-MDZDMXLPSA-N 0 1 291.391 3.780 20 0 CHADMN CC(C)(CC[N@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1)C(=O)[O-] ZINC000902470103 980902180 /nfs/dbraw/zinc/90/21/80/980902180.db2.gz YQRWDSGSIDUADS-UONOGXRCSA-N 0 1 281.440 3.636 20 0 CHADMN C[N@@H+](Cc1ccc(/C=C/C(=O)[O-])o1)C1CCCCCC1 ZINC000902507696 980913839 /nfs/dbraw/zinc/91/38/39/980913839.db2.gz GRFSKXOORIEOGR-ZHACJKMWSA-N 0 1 277.364 3.532 20 0 CHADMN CC[N@@H+](Cc1ccc(-c2ccccc2C(=O)[O-])o1)C(C)C ZINC000902524142 980921166 /nfs/dbraw/zinc/92/11/66/980921166.db2.gz QNEYOGUBUNWHQQ-UHFFFAOYSA-N 0 1 287.359 3.875 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902531524 980923900 /nfs/dbraw/zinc/92/39/00/980923900.db2.gz VGSAHPBGQBCTHB-AULVFQMTSA-N 0 1 291.391 3.778 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])c(CC)o1 ZINC000902532144 980924587 /nfs/dbraw/zinc/92/45/87/980924587.db2.gz XDRGTJAKEMCDFL-DOMZBBRYSA-N 0 1 293.407 3.941 20 0 CHADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902532786 980924967 /nfs/dbraw/zinc/92/49/67/980924967.db2.gz UATUARDUYYOSSL-LBPRGKRZSA-N 0 1 298.386 3.553 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3ccc(C(=O)[O-])o3)C2)cc1 ZINC000902546156 980928276 /nfs/dbraw/zinc/92/82/76/980928276.db2.gz SGUFYFWZFOOUIV-HIFRSBDPSA-N 0 1 299.370 3.664 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000903618759 980996317 /nfs/dbraw/zinc/99/63/17/980996317.db2.gz MYSFKXIOMXFDSE-AWEZNQCLSA-N 0 1 289.419 3.959 20 0 CHADMN CC(C)C[N@@H+](CCCCC(F)(F)F)CC(C)(C)C(=O)[O-] ZINC000903622899 980999188 /nfs/dbraw/zinc/99/91/88/980999188.db2.gz RBKPMYNGIWYHPQ-UHFFFAOYSA-N 0 1 297.361 3.788 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000903631221 981008229 /nfs/dbraw/zinc/00/82/29/981008229.db2.gz OUDIXTUXYXKQGQ-IIAWOOMASA-N 0 1 297.398 3.943 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2CC2CCCC2)s1 ZINC000903690941 981015194 /nfs/dbraw/zinc/01/51/94/981015194.db2.gz XXDRXXSWFZMYBS-ZDUSSCGKSA-N 0 1 293.432 3.991 20 0 CHADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903893521 981024838 /nfs/dbraw/zinc/02/48/38/981024838.db2.gz DSEAAXKQTCQENN-LBPRGKRZSA-N 0 1 298.386 3.553 20 0 CHADMN CC[C@@H]1CCC[C@@H](C[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2)C1 ZINC001595432241 981056545 /nfs/dbraw/zinc/05/65/45/981056545.db2.gz LYZGDOWKTUDAPK-BFYDXBDKSA-N 0 1 289.419 3.961 20 0 CHADMN CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001595444398 981088192 /nfs/dbraw/zinc/08/81/92/981088192.db2.gz OJYCPPPOHLOYKO-DRWRZZHCSA-N 0 1 291.391 3.778 20 0 CHADMN CC[C@@H]1CCCCC[N@H+]1Cc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001595448299 981098340 /nfs/dbraw/zinc/09/83/40/981098340.db2.gz PAKGIBMFJXWVSV-CQSZACIVSA-N 0 1 292.423 3.991 20 0 CHADMN CC[C@@H]1CC[N@@H+]([C@H](C(=O)[O-])c2ccc(Cl)cc2)[C@H]1C ZINC001595464474 981150328 /nfs/dbraw/zinc/15/03/28/981150328.db2.gz ORVONWLNMFHCNW-WDMOLILDSA-N 0 1 281.783 3.586 20 0 CHADMN CSc1cccc(Nc2noc(C(C)(C)C)n2)c1F ZINC001215867163 1118614196 /nfs/dbraw/zinc/61/41/96/1118614196.db2.gz TVKISDRBKONTRY-UHFFFAOYSA-N 0 1 281.356 3.972 20 0 CHADMN CCc1cccc(F)c1CN1CCC[C@@H](OC(F)F)C1 ZINC000684393976 1118677537 /nfs/dbraw/zinc/67/75/37/1118677537.db2.gz VIBQLBBAWKDSGN-GFCCVEGCSA-N 0 1 287.325 3.592 20 0 CHADMN CC[C@@](C)(C(=O)[O-])[N@@H+](CCCC(C)(C)C)CC1CC1 ZINC001594787561 981822185 /nfs/dbraw/zinc/82/21/85/981822185.db2.gz HVGSHVLEXVDRIS-INIZCTEOSA-N 0 1 269.429 3.778 20 0 CHADMN CCCC[C@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001595631315 981836639 /nfs/dbraw/zinc/83/66/39/981836639.db2.gz KNQLHEGTFWHERW-LBPRGKRZSA-N 0 1 280.412 3.847 20 0 CHADMN CCCC[C@@H](C)[N@@H+](C)Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001595631571 981841661 /nfs/dbraw/zinc/84/16/61/981841661.db2.gz UYWBLCUNPVESCH-LLVKDONJSA-N 0 1 278.396 3.601 20 0 CHADMN CCCCCC[N@@H+](CC1CC1)[C@](C)(CC)C(=O)[O-] ZINC001595709081 982290615 /nfs/dbraw/zinc/29/06/15/982290615.db2.gz SRLRBWBRXHVNRZ-OAHLLOKOSA-N 0 1 255.402 3.532 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(Cc2nc(C(C)(C)C)co2)C1 ZINC000892069597 1118955958 /nfs/dbraw/zinc/95/59/58/1118955958.db2.gz NWMYVFPFLLURRN-VXGBXAGGSA-N 0 1 250.386 3.593 20 0 CHADMN Cc1ccccc1[C@H](CC(C)C)NCc1ncc[nH]1 ZINC000112379204 1125486701 /nfs/dbraw/zinc/48/67/01/1125486701.db2.gz RPVOXSLPGQDYAF-HNNXBMFYSA-N 0 1 257.381 3.595 20 0 CHADMN CC[N@H+](Cc1cc(C(=O)[O-])ccc1Cl)CC1CCC1 ZINC001596354183 983814914 /nfs/dbraw/zinc/81/49/14/983814914.db2.gz BZDUFMBXBDJYTR-UHFFFAOYSA-N 0 1 281.783 3.660 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])s1)[C@@H]1CCCC[C@@H]1C ZINC001596357583 983828764 /nfs/dbraw/zinc/82/87/64/983828764.db2.gz JDGMLTPDZXKSJF-WCQYABFASA-N 0 1 281.421 3.847 20 0 CHADMN CC[N@@H+](Cc1ccc(C2(C(=O)[O-])CC2)cc1)[C@H](C)C(C)C ZINC001596359591 983834739 /nfs/dbraw/zinc/83/47/39/983834739.db2.gz KUGIYFQZFOKVHH-CQSZACIVSA-N 0 1 289.419 3.669 20 0 CHADMN CC[N@H+](Cc1ccccc1F)C[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001596371831 983873578 /nfs/dbraw/zinc/87/35/78/983873578.db2.gz OOVXDCUVMFUAGR-UKRRQHHQSA-N 0 1 293.382 3.539 20 0 CHADMN CC[N@@H+](Cc1csc(C(=O)[O-])c1)Cc1ccccc1C ZINC001596378625 983897825 /nfs/dbraw/zinc/89/78/25/983897825.db2.gz XUYJRLOKWBUDGC-UHFFFAOYSA-N 0 1 289.400 3.777 20 0 CHADMN C[C@H]1CCN(Cc2cncc(Br)c2)C[C@H](C)C1 ZINC000342752475 1119155325 /nfs/dbraw/zinc/15/53/25/1119155325.db2.gz OQMGQVAMSUROHL-NWDGAFQWSA-N 0 1 297.240 3.712 20 0 CHADMN C/C(=C/c1ccccc1)C[N@H+](C)Cc1occc1C(=O)[O-] ZINC001589003902 984957900 /nfs/dbraw/zinc/95/79/00/984957900.db2.gz PUOKKGJVNRPIKJ-RAXLEYEMSA-N 0 1 285.343 3.513 20 0 CHADMN C[C@H]1CN(Cc2cnc(-c3ccsc3)s2)CCS1 ZINC000131367091 1125492171 /nfs/dbraw/zinc/49/21/71/1125492171.db2.gz SLLZPZVNWNBZQD-JTQLQIEISA-N 0 1 296.486 3.809 20 0 CHADMN FC(F)(F)c1ccc(CN2CC[C@@H]3C[C@@H]3C2)s1 ZINC000668677800 1119366253 /nfs/dbraw/zinc/36/62/53/1119366253.db2.gz XRVKVKLQQDJMLG-RKDXNWHRSA-N 0 1 261.312 3.609 20 0 CHADMN Cc1cc(CN(C)C2CCC(C(C)C)CC2)no1 ZINC000092902899 1119568133 /nfs/dbraw/zinc/56/81/33/1119568133.db2.gz AITXNMIGSWDALZ-UHFFFAOYSA-N 0 1 250.386 3.630 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](C[C@H]1CCCC(C)(C)C1)C1CCC1 ZINC001589486362 987026643 /nfs/dbraw/zinc/02/66/43/987026643.db2.gz MVFFCVZPPTWGAR-STQMWFEESA-N 0 1 267.413 3.530 20 0 CHADMN C[C@H](NC1CC2(C1)CCCCC2)c1cscn1 ZINC000658292608 1119719318 /nfs/dbraw/zinc/71/93/18/1119719318.db2.gz AHGNCTSFQFUZBS-NSHDSACASA-N 0 1 250.411 3.907 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2ncc(C(C)(C)C)s2)C1 ZINC000448217299 1119743620 /nfs/dbraw/zinc/74/36/20/1119743620.db2.gz LFASEFVPBCLEDW-RYUDHWBXSA-N 0 1 266.454 3.919 20 0 CHADMN Fc1cccc2c1SCC[C@@H]2N[C@H]1CCC[C@H]1F ZINC000340522472 1119752581 /nfs/dbraw/zinc/75/25/81/1119752581.db2.gz IGSCAPMNPVBPGX-WXHSDQCUSA-N 0 1 269.360 3.843 20 0 CHADMN CC(C)(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001589764367 988100832 /nfs/dbraw/zinc/10/08/32/988100832.db2.gz IHNKXHZVUNUYCW-ZNMIVQPWSA-N 0 1 281.440 3.636 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2cccc(C(=O)[O-])c2)cc1 ZINC001597526136 988170169 /nfs/dbraw/zinc/17/01/69/988170169.db2.gz NIWFFUKABCIGPI-UHFFFAOYSA-N 0 1 283.371 3.579 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CN1Cc1nccn1C(F)F ZINC000115553014 1125504931 /nfs/dbraw/zinc/50/49/31/1125504931.db2.gz HHLITWBXPNVLAO-JSGCOSHPSA-N 0 1 291.345 3.656 20 0 CHADMN C[C@@H](N[C@H]1CS[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000414233223 1119949808 /nfs/dbraw/zinc/94/98/08/1119949808.db2.gz RFTQSADROBVPTR-BWZBUEFSSA-N 0 1 296.383 3.707 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC001597763284 989205157 /nfs/dbraw/zinc/20/51/57/989205157.db2.gz UTFAZCFATKWRBA-UBHSHLNASA-N 0 1 291.391 3.551 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2)C[C@H]1CC(=O)[O-] ZINC001599866392 989268399 /nfs/dbraw/zinc/26/83/99/989268399.db2.gz KPEWBBUMSDWPLG-UKRRQHHQSA-N 0 1 289.419 3.527 20 0 CHADMN CCc1oc(C[N@H+]2C[C@@H](C(C)C)[C@@H]2C(C)C)cc1C(=O)[O-] ZINC001597796381 989354087 /nfs/dbraw/zinc/35/40/87/989354087.db2.gz NIRCNLKUBNYFCZ-HOCLYGCPSA-N 0 1 293.407 3.653 20 0 CHADMN CCc1oc(C[N@H+]2C[C@H](C(C)C)[C@@H]2C(C)C)cc1C(=O)[O-] ZINC001597796382 989354649 /nfs/dbraw/zinc/35/46/49/989354649.db2.gz NIRCNLKUBNYFCZ-ZBFHGGJFSA-N 0 1 293.407 3.653 20 0 CHADMN CC(C)(CC[N@H+]1CC2(CCC2)[C@H]1c1ccccc1)C(=O)[O-] ZINC001590671175 990380772 /nfs/dbraw/zinc/38/07/72/990380772.db2.gz VXIMLHLDEGYZCO-OAHLLOKOSA-N 0 1 287.403 3.715 20 0 CHADMN CC(C)(CC[N@H+]1CC2(CCC2)[C@@H]1c1ccccc1)C(=O)[O-] ZINC001590671174 990381110 /nfs/dbraw/zinc/38/11/10/990381110.db2.gz VXIMLHLDEGYZCO-HNNXBMFYSA-N 0 1 287.403 3.715 20 0 CHADMN CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000659803457 1120113120 /nfs/dbraw/zinc/11/31/20/1120113120.db2.gz HMUGKLPBTXTPKQ-SWLSCSKDSA-N 0 1 261.365 3.538 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1CCC1CCCCCC1 ZINC000659798889 1120113124 /nfs/dbraw/zinc/11/31/24/1120113124.db2.gz USEFTCIUPZWHNT-YCPHGPKFSA-N 0 1 281.440 3.921 20 0 CHADMN CCCCCCCCCNC(=O)[C@@H](N)c1ccccc1 ZINC000236634453 1120131394 /nfs/dbraw/zinc/13/13/94/1120131394.db2.gz KTZQPNNHFKGGLQ-INIZCTEOSA-N 0 1 276.424 3.553 20 0 CHADMN Cc1ccc(C[C@H](C)NCc2nnc(C(C)C)s2)s1 ZINC000893004995 1120195269 /nfs/dbraw/zinc/19/52/69/1120195269.db2.gz NZRAOOHLLJKAQG-JTQLQIEISA-N 0 1 295.477 3.752 20 0 CHADMN C[N@@H+](CC/C=C/c1ccccc1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598471751 992036868 /nfs/dbraw/zinc/03/68/68/992036868.db2.gz FDXIIADHXFSNGB-HCWHUNCVSA-N 0 1 295.382 3.848 20 0 CHADMN CC(C)C[C@@H]1CCC[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001591207278 992038615 /nfs/dbraw/zinc/03/86/15/992038615.db2.gz HKJLMVJYAZUBPT-NPQIQWPPSA-N 0 1 291.391 3.636 20 0 CHADMN C[N@@H+](CCC1CCCCC1)C[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598472809 992053072 /nfs/dbraw/zinc/05/30/72/992053072.db2.gz UCHNVEBZKPFYAB-HOTGVXAUSA-N 0 1 281.440 3.780 20 0 CHADMN CC(C)C[N@H+](CC(=O)[O-])C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001591304685 992254163 /nfs/dbraw/zinc/25/41/63/992254163.db2.gz CSVMXCHVPBVYCB-NVXWUHKLSA-N 0 1 289.419 3.613 20 0 CHADMN C[N@@H+](Cc1c2ccccc2[nH]c1C(=O)[O-])C1CCCCC1 ZINC001598505467 992497315 /nfs/dbraw/zinc/49/73/15/992497315.db2.gz JROCWCKYIAWBTL-UHFFFAOYSA-N 0 1 286.375 3.631 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)[C@H]1CCC(C)(C)C1 ZINC001598509136 992546112 /nfs/dbraw/zinc/54/61/12/992546112.db2.gz BZKOTHWYLCVUKK-LBPRGKRZSA-N 0 1 279.355 3.534 20 0 CHADMN C[N@H+](Cc1ccc(C2(C(=O)[O-])CC2)cc1)C[C@@H]1CC=CCC1 ZINC001598517304 992631974 /nfs/dbraw/zinc/63/19/74/992631974.db2.gz BBASXPGJQOHUOK-OAHLLOKOSA-N 0 1 299.414 3.591 20 0 CHADMN C[N@@H+](Cc1ccoc1C(=O)[O-])Cc1ccc2ccccc2c1 ZINC001598524273 992699701 /nfs/dbraw/zinc/69/97/01/992699701.db2.gz ABYBWKRAYAEBKK-UHFFFAOYSA-N 0 1 295.338 3.763 20 0 CHADMN CC(C)[N@@H+](CC1(CC(=O)[O-])CC1)[C@H](C)c1ccsc1 ZINC001591573635 992779091 /nfs/dbraw/zinc/77/90/91/992779091.db2.gz NYXLUAIIBVVHCM-GFCCVEGCSA-N 0 1 281.421 3.774 20 0 CHADMN C[N@@H+](Cc1cscc1Cl)C1(C(=O)[O-])CCCCC1 ZINC001598535885 992839786 /nfs/dbraw/zinc/83/97/86/992839786.db2.gz DPDKHBVDGLJHKZ-UHFFFAOYSA-N 0 1 287.812 3.621 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1ncc(C)s1)C1CCCCC1 ZINC000660269481 1120476616 /nfs/dbraw/zinc/47/66/16/1120476616.db2.gz NVOZBNFDMHCBQR-JSGCOSHPSA-N 0 1 282.453 3.697 20 0 CHADMN COC[C@H]1CCCCN(Cc2csc(C(C)C)n2)C1 ZINC000364260257 1120521618 /nfs/dbraw/zinc/52/16/18/1120521618.db2.gz IYRCKLRANPUAQZ-ZDUSSCGKSA-N 0 1 282.453 3.515 20 0 CHADMN CCc1cc(CN[C@@H](C)c2ccc(F)c(Cl)c2)[nH]n1 ZINC000765995664 1120576403 /nfs/dbraw/zinc/57/64/03/1120576403.db2.gz WMSGZFICWFEVOH-VIFPVBQESA-N 0 1 281.762 3.615 20 0 CHADMN CCc1cc(CN[C@@H](C)c2ccc(F)c(Cl)c2)n[nH]1 ZINC000765995664 1120576406 /nfs/dbraw/zinc/57/64/06/1120576406.db2.gz WMSGZFICWFEVOH-VIFPVBQESA-N 0 1 281.762 3.615 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCCC2(CCCC2)C1 ZINC001593690140 996135450 /nfs/dbraw/zinc/13/54/50/996135450.db2.gz OBOJSQRWDBIIFZ-GFCCVEGCSA-N 0 1 277.364 3.695 20 0 CHADMN Cc1ccc(CCNCc2csc(C(C)(C)C)n2)o1 ZINC000613752373 1120649890 /nfs/dbraw/zinc/64/98/90/1120649890.db2.gz QFLAWCCOQYEWNZ-UHFFFAOYSA-N 0 1 278.421 3.674 20 0 CHADMN CO[C@H]1CCC[N@@H+](Cc2c(C)cc(Cl)cc2C)C1 ZINC000509135644 1120669818 /nfs/dbraw/zinc/66/98/18/1120669818.db2.gz HRMHWCFFSBMZQR-AWEZNQCLSA-N 0 1 267.800 3.568 20 0 CHADMN CCC[C@H]1CCCN(Cc2cncc(Br)c2)C1 ZINC000544145228 1120672836 /nfs/dbraw/zinc/67/28/36/1120672836.db2.gz HEGLYVDAXBXVPQ-LBPRGKRZSA-N 0 1 297.240 3.856 20 0 CHADMN C[C@@]1(C2CCCCC2)CC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC001593992661 997272826 /nfs/dbraw/zinc/27/28/26/997272826.db2.gz MJAYMBBWJOKVMD-INIZCTEOSA-N 0 1 293.432 3.991 20 0 CHADMN C[C@@]1(C2CCCCC2)CC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC001593992517 997273422 /nfs/dbraw/zinc/27/34/22/997273422.db2.gz LIPGXXXEHQIWBE-INIZCTEOSA-N 0 1 277.364 3.523 20 0 CHADMN C[C@@H](CCc1cccc(F)c1)N1CCC=C(F)C1 ZINC000473116071 1120781594 /nfs/dbraw/zinc/78/15/94/1120781594.db2.gz DTWYMWTUJHIBGC-LBPRGKRZSA-N 0 1 251.320 3.706 20 0 CHADMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cccc(C(F)F)c1 ZINC000662226794 1120905646 /nfs/dbraw/zinc/90/56/46/1120905646.db2.gz TXUHQPYWSDVKBC-UHFFFAOYSA-N 0 1 285.334 3.557 20 0 CHADMN CC(C)[C@@H](N)c1noc(C2CCCCCCC2)n1 ZINC000086581841 1120898090 /nfs/dbraw/zinc/89/80/90/1120898090.db2.gz LCJXFTSKPPUWMS-GFCCVEGCSA-N 0 1 251.374 3.553 20 0 CHADMN CC1=C(C)C[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC001594109667 998195846 /nfs/dbraw/zinc/19/58/46/998195846.db2.gz IZJPLXNKZRUSCZ-UHFFFAOYSA-N 0 1 279.767 3.580 20 0 CHADMN CCCc1nc(CN2CCC[C@H](C3CC3)C2)cs1 ZINC000344072985 1121072082 /nfs/dbraw/zinc/07/20/82/1121072082.db2.gz SPJMVJJYCCHGCM-ZDUSSCGKSA-N 0 1 264.438 3.718 20 0 CHADMN CC(C)(C)CCNC(C)(C)c1cc(C(F)(F)F)on1 ZINC000429225639 1121110986 /nfs/dbraw/zinc/11/09/86/1121110986.db2.gz HGIHUNAOUWDRJY-UHFFFAOYSA-N 0 1 278.318 3.954 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCCCC(=O)[O-] ZINC001594270097 999043710 /nfs/dbraw/zinc/04/37/10/999043710.db2.gz PYZKDMFKHNNTJN-FMKPAKJESA-N 0 1 275.392 3.508 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC001594270662 999046258 /nfs/dbraw/zinc/04/62/58/999046258.db2.gz YIQNSTHKTXUUHD-KSSFIOAISA-N 0 1 295.382 3.968 20 0 CHADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC001594293170 999131288 /nfs/dbraw/zinc/13/12/88/999131288.db2.gz QGVAFWYYLILKST-WISYIIOYSA-N 0 1 294.420 3.555 20 0 CHADMN Cc1cc(C)cc(CN[C@H](C)c2ccc(F)cn2)c1 ZINC000658176425 1121206417 /nfs/dbraw/zinc/20/64/17/1121206417.db2.gz KQWSZXPHKVIDFY-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1CCSc1ccc(Cl)cc1 ZINC000675722264 1121347829 /nfs/dbraw/zinc/34/78/29/1121347829.db2.gz IOLIPTUTYCAIHM-TZMCWYRMSA-N 0 1 299.867 3.931 20 0 CHADMN C[C@H](NCCc1cncs1)c1nc(C(C)(C)C)cs1 ZINC000411526755 1121601801 /nfs/dbraw/zinc/60/18/01/1121601801.db2.gz DWBSUJQGBCJNMZ-JTQLQIEISA-N 0 1 295.477 3.790 20 0 CHADMN CO[C@H](CC(C)C)CN1CCC[C@@H]1c1csc(C)n1 ZINC000419279620 1121616846 /nfs/dbraw/zinc/61/68/46/1121616846.db2.gz WAEJAXFPSXZJQG-UKRRQHHQSA-N 0 1 282.453 3.650 20 0 CHADMN CC[C@H](F)CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433317414 1121648611 /nfs/dbraw/zinc/64/86/11/1121648611.db2.gz KXXMCRGAXIKIPK-OCCSQVGLSA-N 0 1 255.764 3.877 20 0 CHADMN CN(CCN(C)c1ccccc1)Cc1ccc(Cl)s1 ZINC000730809048 1121828589 /nfs/dbraw/zinc/82/85/89/1121828589.db2.gz WVBISLDWAAAELI-UHFFFAOYSA-N 0 1 294.851 3.970 20 0 CHADMN Cc1ncsc1CNc1nc2ccc(Cl)cc2[nH]1 ZINC001179516228 1121883824 /nfs/dbraw/zinc/88/38/24/1121883824.db2.gz UUJKLXKAZYNMSB-UHFFFAOYSA-N 0 1 278.768 3.593 20 0 CHADMN CC(C)Sc1ccc(CN2CC[C@@]23CCOC3)cc1 ZINC000421018147 1122065234 /nfs/dbraw/zinc/06/52/34/1122065234.db2.gz KQWVPGRKRFHGBZ-INIZCTEOSA-N 0 1 277.433 3.552 20 0 CHADMN CC[C@@H](C)[N@@H+](CCc1ccc(C(C)C)cc1)CC(=O)[O-] ZINC000414683695 1122265586 /nfs/dbraw/zinc/26/55/86/1122265586.db2.gz PPAKOIAVEQJXNU-CQSZACIVSA-N 0 1 277.408 3.538 20 0 CHADMN Cc1ccc(CN2CC[C@H](COC(F)F)C2)cc1Cl ZINC000514869135 1122460672 /nfs/dbraw/zinc/46/06/72/1122460672.db2.gz UATHTNYSRSULTR-LBPRGKRZSA-N 0 1 289.753 3.710 20 0 CHADMN CCCc1csc(C[N@@H+](C)CCc2ccccc2)n1 ZINC000426057585 1122709342 /nfs/dbraw/zinc/70/93/42/1122709342.db2.gz JLNAIFXFJYQVBX-UHFFFAOYSA-N 0 1 274.433 3.770 20 0 CHADMN CCCc1csc(CN(C)CCc2ccccc2)n1 ZINC000426057585 1122709345 /nfs/dbraw/zinc/70/93/45/1122709345.db2.gz JLNAIFXFJYQVBX-UHFFFAOYSA-N 0 1 274.433 3.770 20 0 CHADMN CC[C@@H](F)CN1CC=C(c2ccc(F)cc2)CC1 ZINC000440694363 1123029472 /nfs/dbraw/zinc/02/94/72/1123029472.db2.gz CIJHCZXHQSEETF-CQSZACIVSA-N 0 1 251.320 3.663 20 0 CHADMN CC(C)OCCCN(C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000353709500 1123048767 /nfs/dbraw/zinc/04/87/67/1123048767.db2.gz JJBRGKPNTRLGDA-ZDUSSCGKSA-N 0 1 296.480 3.515 20 0 CHADMN CN(Cc1c(Cl)cccc1Cl)CC1CCOCC1 ZINC000112697268 1123094556 /nfs/dbraw/zinc/09/45/56/1123094556.db2.gz FONSYRLAMKQBKH-UHFFFAOYSA-N 0 1 288.218 3.852 20 0 CHADMN FC[C@H]1CCCN(Cc2ccc(CSC(F)F)o2)C1 ZINC000895546522 1123491134 /nfs/dbraw/zinc/49/11/34/1123491134.db2.gz ODBIYAKHMDVADC-SNVBAGLBSA-N 0 1 293.354 3.917 20 0 CHADMN CCCC[C@@H](C(=O)OCc1nnc(C(C)(C)C)[nH]1)C(C)C ZINC000857030191 1123579521 /nfs/dbraw/zinc/57/95/21/1123579521.db2.gz DQYKVXJQIDCLOL-GFCCVEGCSA-N 0 1 295.427 3.608 20 0 CHADMN CCCC[C@@H](C(=O)OCc1n[nH]c(C(C)(C)C)n1)C(C)C ZINC000857030191 1123579525 /nfs/dbraw/zinc/57/95/25/1123579525.db2.gz DQYKVXJQIDCLOL-GFCCVEGCSA-N 0 1 295.427 3.608 20 0 CHADMN CCS[C@H]1CCCCN(Cc2ncc(CC)s2)C1 ZINC000346185154 1123668288 /nfs/dbraw/zinc/66/82/88/1123668288.db2.gz WXEBQWZWPMGFQO-ZDUSSCGKSA-N 0 1 284.494 3.813 20 0 CHADMN CCc1cccc(Cl)c1CN1CCOCC2(CC2)C1 ZINC000475098954 1123793842 /nfs/dbraw/zinc/79/38/42/1123793842.db2.gz VWNQWPFGULIWTF-UHFFFAOYSA-N 0 1 279.811 3.515 20 0 CHADMN CC(C)c1nnc(CN[C@H]2CCCC[C@H]2C(C)(C)C)o1 ZINC000108367086 1124026351 /nfs/dbraw/zinc/02/63/51/1124026351.db2.gz YEWXFKKSNHSFCD-OLZOCXBDSA-N 0 1 279.428 3.888 20 0 CHADMN C/C(Cl)=C\CN1[C@H](C)CN(C/C=C(/C)Cl)C[C@@H]1C ZINC000528486246 1124679190 /nfs/dbraw/zinc/67/91/90/1124679190.db2.gz OJENQRQGAREMFO-UEUWTQKLSA-N 0 1 291.266 3.666 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@H](C)[C@H]2C)c1F ZINC001138118691 1131468804 /nfs/dbraw/zinc/46/88/04/1131468804.db2.gz PTZWHIVJVGXSFZ-CMPLNLGQSA-N 0 1 253.336 3.894 20 0 CHADMN CCOc1ccc(CN2CCC(F)(F)CC2)c(C)c1 ZINC000825748519 1124852997 /nfs/dbraw/zinc/85/29/97/1124852997.db2.gz DHPAQWRZRUYAPQ-UHFFFAOYSA-N 0 1 269.335 3.625 20 0 CHADMN COC[C@@H]1CCCN(Cc2csc(C(C)C)n2)CC1 ZINC000449779825 1124870590 /nfs/dbraw/zinc/87/05/90/1124870590.db2.gz UVKNXPYZJOQGAM-CYBMUJFWSA-N 0 1 282.453 3.515 20 0 CHADMN CC(C)C[C@]1(C)CCCN1Cc1nc(C(C)C)no1 ZINC000451292011 1125151609 /nfs/dbraw/zinc/15/16/09/1125151609.db2.gz SDFMMLXQFMDPSF-HNNXBMFYSA-N 0 1 265.401 3.594 20 0 CHADMN CC(C)(O)[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000721868695 1125379380 /nfs/dbraw/zinc/37/93/80/1125379380.db2.gz IKQOQGZFMANQEA-LLVKDONJSA-N 0 1 288.218 3.586 20 0 CHADMN COc1ccc(CN2[C@@H](C)CCC[C@@H]2C)c(F)c1F ZINC001143902728 1131549432 /nfs/dbraw/zinc/54/94/32/1131549432.db2.gz KEKBEPUQSTWUBD-QWRGUYRKSA-N 0 1 269.335 3.736 20 0 CHADMN FC(F)Oc1ccccc1CN1CCC[C@@H](F)CC1 ZINC001138908304 1131558780 /nfs/dbraw/zinc/55/87/80/1131558780.db2.gz NHDLVIRIPJQCEX-GFCCVEGCSA-N 0 1 273.298 3.612 20 0 CHADMN Cc1n[nH]c(C)c1CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC001139099832 1131582266 /nfs/dbraw/zinc/58/22/66/1131582266.db2.gz AIMVADFIXKTTHA-GFCCVEGCSA-N 0 1 277.799 3.873 20 0 CHADMN Cc1cnc(Cl)c(CN2CC[C@@H](C)C[C@@H]2C)c1 ZINC001139591222 1131618310 /nfs/dbraw/zinc/61/83/10/1131618310.db2.gz PJIYUUCYFZLFEX-PWSUYJOCSA-N 0 1 252.789 3.664 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(C)cnc1Cl ZINC001139590861 1131618317 /nfs/dbraw/zinc/61/83/17/1131618317.db2.gz BMSSSLVBOMUXSO-ZDUSSCGKSA-N 0 1 252.789 3.808 20 0 CHADMN COCc1ccc(CN2CCc3ccsc3C2)s1 ZINC001139826900 1131640532 /nfs/dbraw/zinc/64/05/32/1131640532.db2.gz GENNZZXIFQOLPO-UHFFFAOYSA-N 0 1 279.430 3.514 20 0 CHADMN CC(C)C1CCN(Cc2cccnc2C(F)(F)F)CC1 ZINC001144531372 1131652285 /nfs/dbraw/zinc/65/22/85/1131652285.db2.gz ZWXGJKBBHRGEAV-UHFFFAOYSA-N 0 1 286.341 3.968 20 0 CHADMN COc1c(Cl)cccc1CN1CCC(C)(C)C1 ZINC001140068126 1131660817 /nfs/dbraw/zinc/66/08/17/1131660817.db2.gz YONZKEUJOLRVRQ-UHFFFAOYSA-N 0 1 253.773 3.581 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1cc(C(F)(F)F)ccn1 ZINC001140101993 1131664431 /nfs/dbraw/zinc/66/44/31/1131664431.db2.gz GOSKTIITCZHBHH-QWRGUYRKSA-N 0 1 272.314 3.863 20 0 CHADMN Cc1ccccc1CN(C)Cc1cnc(Cl)c(F)c1 ZINC000846761160 1131725138 /nfs/dbraw/zinc/72/51/38/1131725138.db2.gz LTUDHHDSPWMAOK-UHFFFAOYSA-N 0 1 278.758 3.815 20 0 CHADMN Cc1ccc(F)cc1CN1CC[C@@](CF)(C(F)(F)F)C1 ZINC001140589420 1131813280 /nfs/dbraw/zinc/81/32/80/1131813280.db2.gz DVUZWDIAJDZLFA-ZDUSSCGKSA-N 0 1 293.279 3.858 20 0 CHADMN CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(Cl)c(O)c1 ZINC001147859840 1131838633 /nfs/dbraw/zinc/83/86/33/1131838633.db2.gz BSCAHPLPIZEGJC-NXEZZACHSA-N 0 1 269.772 3.600 20 0 CHADMN CCCCc1nc(CN2C3CCCC2CCC3)c[nH]1 ZINC001141074132 1132006031 /nfs/dbraw/zinc/00/60/31/1132006031.db2.gz YKCMWOWZRPGNCQ-UHFFFAOYSA-N 0 1 261.413 3.659 20 0 CHADMN CCN(Cc1cccc(C)c1Br)C1CC1 ZINC001141089273 1132009652 /nfs/dbraw/zinc/00/96/52/1132009652.db2.gz PHSKRJGGOXBYHO-UHFFFAOYSA-N 0 1 268.198 3.742 20 0 CHADMN CC[C@H](C)CC[C@@H](C)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047351 1132247473 /nfs/dbraw/zinc/24/74/73/1132247473.db2.gz QDHOOZWEWQWSSB-DTWKUNHWSA-N 0 1 282.775 3.600 20 0 CHADMN CC[C@@H]1CCN(Cc2c(Cl)cc(OC)cc2OC)C1 ZINC001231697844 1132346231 /nfs/dbraw/zinc/34/62/31/1132346231.db2.gz KUEFFKAZWBAETF-LLVKDONJSA-N 0 1 283.799 3.589 20 0 CHADMN COc1cc(Cl)c(CN2CCC(C)(C)CC2)c(OC)c1 ZINC001231697415 1132347860 /nfs/dbraw/zinc/34/78/60/1132347860.db2.gz VEWCXNAPJZDAJN-UHFFFAOYSA-N 0 1 297.826 3.979 20 0 CHADMN Cc1cnc(CN)n1[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172877539 1132355075 /nfs/dbraw/zinc/35/50/75/1132355075.db2.gz CDIKIOWPZRLCCC-NSHDSACASA-N 0 1 295.839 3.657 20 0 CHADMN Cc1cc(Br)cnc1C[N@@H+]1CCCCC[C@@H]1C ZINC001232048397 1132414714 /nfs/dbraw/zinc/41/47/14/1132414714.db2.gz HNWUVLPDTMEHRG-LBPRGKRZSA-N 0 1 297.240 3.917 20 0 CHADMN Cc1cc(Br)cnc1CN1CCCCC[C@@H]1C ZINC001232048397 1132414717 /nfs/dbraw/zinc/41/47/17/1132414717.db2.gz HNWUVLPDTMEHRG-LBPRGKRZSA-N 0 1 297.240 3.917 20 0 CHADMN C[C@@H]1CCCCN(Cc2cccc(C(F)(F)F)n2)C1 ZINC001232070141 1132418379 /nfs/dbraw/zinc/41/83/79/1132418379.db2.gz XZMBQZYKKLEWIZ-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN CCCCC[C@H](CC)c1nc(C2(N)CCCC2)no1 ZINC000842593448 1132444717 /nfs/dbraw/zinc/44/47/17/1132444717.db2.gz ZJPZWYXFJNCWHF-LBPRGKRZSA-N 0 1 265.401 3.872 20 0 CHADMN COc1cc(Cl)ccc1CN1CCC[C@H](F)CC1 ZINC001232496093 1132480377 /nfs/dbraw/zinc/48/03/77/1132480377.db2.gz GEIMWRZWLMRXPL-ZDUSSCGKSA-N 0 1 271.763 3.673 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(F)c([O-])c2F)C[C@H]1C ZINC001232931345 1132543659 /nfs/dbraw/zinc/54/36/59/1132543659.db2.gz MWLSLRHMQCCFPV-GHMZBOCLSA-N 0 1 269.335 3.538 20 0 CHADMN CC(C)CN(C)Cc1cc(Cl)cnc1OC(C)C ZINC001233165066 1132577154 /nfs/dbraw/zinc/57/71/54/1132577154.db2.gz RRIDCKZBQQHPJX-UHFFFAOYSA-N 0 1 270.804 3.610 20 0 CHADMN C[N@@H+](CCc1cc(F)c(F)cc1F)Cc1ccsc1 ZINC001209253875 1133996193 /nfs/dbraw/zinc/99/61/93/1133996193.db2.gz ZPZDSPSLKHVQQX-UHFFFAOYSA-N 0 1 285.334 3.840 20 0 CHADMN Oc1c(Cl)cc(Nc2cncnc2Cl)cc1Cl ZINC001210924646 1134329657 /nfs/dbraw/zinc/32/96/57/1134329657.db2.gz PYQDRMQQXNBNKH-UHFFFAOYSA-N 0 1 290.537 3.886 20 0 CHADMN CC(C)c1nccnc1Nc1ccc(Cl)c(O)c1F ZINC001214797896 1134573708 /nfs/dbraw/zinc/57/37/08/1134573708.db2.gz IUZPWWXDLJKCFP-UHFFFAOYSA-N 0 1 281.718 3.842 20 0 CHADMN Cc1ccc(C)c(Nc2ccc(Cl)c(O)c2F)n1 ZINC001214796237 1134573756 /nfs/dbraw/zinc/57/37/56/1134573756.db2.gz KTKITTSENBFLNE-UHFFFAOYSA-N 0 1 266.703 3.940 20 0 CHADMN Cc1cc(=O)[nH]c(O[C@H](C)c2cc(Cl)ccc2C)n1 ZINC001226157463 1135668755 /nfs/dbraw/zinc/66/87/55/1135668755.db2.gz ZKLMQJBGXZBIDE-SNVBAGLBSA-N 0 1 278.739 3.592 20 0 CHADMN Cc1cccc(CN2C[C@@H](C)[C@H]2c2ccccc2)n1 ZINC000348305968 1125508412 /nfs/dbraw/zinc/50/84/12/1125508412.db2.gz LHFNJFGIHDTVQR-DYVFJYSZSA-N 0 1 252.361 3.583 20 0 CHADMN CCCCO[C@@H]1C[C@H](N[C@@H](C)c2cscn2)C1(C)C ZINC000536626240 1125509465 /nfs/dbraw/zinc/50/94/65/1125509465.db2.gz PVSHUDOUMWIHMJ-FPMFFAJLSA-N 0 1 282.453 3.778 20 0 CHADMN C[C@]1(c2ccccc2)CCCN(Cc2nccs2)C1 ZINC000135079779 1125521977 /nfs/dbraw/zinc/52/19/77/1125521977.db2.gz IPIWEWQZXQXLAQ-INIZCTEOSA-N 0 1 272.417 3.697 20 0 CHADMN CSC[C@H]1CCCN1Cc1ncc(-c2cccs2)o1 ZINC000135454679 1125526014 /nfs/dbraw/zinc/52/60/14/1125526014.db2.gz NWVGYCNRQPZXOE-LLVKDONJSA-N 0 1 294.445 3.731 20 0 CHADMN Cc1ccncc1CNCc1ccc(Br)s1 ZINC000135454350 1125526026 /nfs/dbraw/zinc/52/60/26/1125526026.db2.gz NVHRMWZDQQXAAV-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN CSC[C@@H]1CCCN1Cc1ncc(-c2cccs2)o1 ZINC000135454657 1125526404 /nfs/dbraw/zinc/52/64/04/1125526404.db2.gz NWVGYCNRQPZXOE-NSHDSACASA-N 0 1 294.445 3.731 20 0 CHADMN CCC(CC)[C@@H](NCc1nccn1C)c1cccs1 ZINC000348313369 1125529231 /nfs/dbraw/zinc/52/92/31/1125529231.db2.gz KFSDZAVNFYIONG-OAHLLOKOSA-N 0 1 277.437 3.749 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000119864689 1125540112 /nfs/dbraw/zinc/54/01/12/1125540112.db2.gz ZFNHCQKOIFFNJD-ZDUSSCGKSA-N 0 1 299.370 3.583 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000062649787 1125548146 /nfs/dbraw/zinc/54/81/46/1125548146.db2.gz GNUDBCPJOSCASW-NSHDSACASA-N 0 1 291.782 3.622 20 0 CHADMN C[C@H]1CCCN(Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000062649787 1125548150 /nfs/dbraw/zinc/54/81/50/1125548150.db2.gz GNUDBCPJOSCASW-NSHDSACASA-N 0 1 291.782 3.622 20 0 CHADMN CCn1cc([C@@H](C)N[C@H](c2ncccc2C)C(C)C)cn1 ZINC000120570062 1125549807 /nfs/dbraw/zinc/54/98/07/1125549807.db2.gz WKBMAORZGXMZMA-ZBFHGGJFSA-N 0 1 286.423 3.654 20 0 CHADMN CC[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2o1)C1CC1 ZINC000120820122 1125552827 /nfs/dbraw/zinc/55/28/27/1125552827.db2.gz GBORNCXBLSMBSF-UHFFFAOYSA-N 0 1 284.281 3.831 20 0 CHADMN CCN(Cc1nc2cc(C(F)(F)F)ccc2o1)C1CC1 ZINC000120820122 1125552830 /nfs/dbraw/zinc/55/28/30/1125552830.db2.gz GBORNCXBLSMBSF-UHFFFAOYSA-N 0 1 284.281 3.831 20 0 CHADMN C[C@@H](NC[C@H](c1c(F)cccc1F)N(C)C)c1ccco1 ZINC000120751117 1125550704 /nfs/dbraw/zinc/55/07/04/1125550704.db2.gz KEVHUEWLKKMVLJ-BXUZGUMPSA-N 0 1 294.345 3.511 20 0 CHADMN Cc1ccc(-c2cc(CN3CCC34CCC4)on2)cc1 ZINC000348324175 1125555686 /nfs/dbraw/zinc/55/56/86/1125555686.db2.gz QZPVNAGAVGFFJH-UHFFFAOYSA-N 0 1 268.360 3.778 20 0 CHADMN C[C@H]1CCCN(Cc2cc(-c3ccco3)on2)CC1 ZINC000194540447 1125558154 /nfs/dbraw/zinc/55/81/54/1125558154.db2.gz BWVHFMXOJPYPIN-LBPRGKRZSA-N 0 1 260.337 3.557 20 0 CHADMN CC[C@H](NCc1ccc(C)nn1)c1cccc(Cl)c1 ZINC000396647320 1125567273 /nfs/dbraw/zinc/56/72/73/1125567273.db2.gz RJSCANBGUPHBIS-HNNXBMFYSA-N 0 1 275.783 3.679 20 0 CHADMN Cc1ccoc1CN(C)Cc1ccc2c(c1)CCC2 ZINC000429412159 1125579689 /nfs/dbraw/zinc/57/96/89/1125579689.db2.gz YMUXQMYNVNDCEE-UHFFFAOYSA-N 0 1 255.361 3.709 20 0 CHADMN CC(=O)c1cccc(Nc2ccc3[nH]c(C)nc3c2)c1O ZINC001213075366 1125579875 /nfs/dbraw/zinc/57/98/75/1125579875.db2.gz QHOJVKHBKCQTJL-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN CCn1nccc1CN1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000245787274 1125594711 /nfs/dbraw/zinc/59/47/11/1125594711.db2.gz VMMFHIDWRBQJOT-DYVFJYSZSA-N 0 1 287.382 3.625 20 0 CHADMN Cc1ncccc1C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000245794505 1125595888 /nfs/dbraw/zinc/59/58/88/1125595888.db2.gz WRLNMASZAYHHJM-GUYCJALGSA-N 0 1 252.361 3.583 20 0 CHADMN Cc1ncccc1CN1C[C@H](C)[C@H]1c1ccccc1 ZINC000245794505 1125595895 /nfs/dbraw/zinc/59/58/95/1125595895.db2.gz WRLNMASZAYHHJM-GUYCJALGSA-N 0 1 252.361 3.583 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cncc2ccccc21 ZINC000135781056 1125597866 /nfs/dbraw/zinc/59/78/66/1125597866.db2.gz OACYJKXEMMNJDS-LLVKDONJSA-N 0 1 281.359 3.690 20 0 CHADMN COc1ccc(C)cc1CN(C)[C@@H](C)c1cccc(O)c1 ZINC000533377974 1125603790 /nfs/dbraw/zinc/60/37/90/1125603790.db2.gz MKGKIJPPKVYJIB-AWEZNQCLSA-N 0 1 285.387 3.902 20 0 CHADMN CCOc1ccc(-c2nc(CN3C4CCC3CC4)co2)cc1 ZINC000533453987 1125607013 /nfs/dbraw/zinc/60/70/13/1125607013.db2.gz CWGVKOYLWKJPFS-UHFFFAOYSA-N 0 1 298.386 3.867 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H](C)c1cnn(C2CCC2)c1 ZINC000925291589 1125610388 /nfs/dbraw/zinc/61/03/88/1125610388.db2.gz COXWROSMIPOHTF-UONOGXRCSA-N 0 1 284.407 3.723 20 0 CHADMN c1cc(CN2CCC[C@@H](CCCc3ccccc3)C2)no1 ZINC000533539846 1125614554 /nfs/dbraw/zinc/61/45/54/1125614554.db2.gz GMNAXLWMHBSDQV-QGZVFWFLSA-N 0 1 284.403 3.910 20 0 CHADMN Cc1nc(C2(NC[C@@H]3CCCC(C)(C)C3)CCCC2)no1 ZINC000533564928 1125616113 /nfs/dbraw/zinc/61/61/13/1125616113.db2.gz HODQDYPXCCELDK-CQSZACIVSA-N 0 1 291.439 3.953 20 0 CHADMN CC(C)(C)Oc1cccc(CNCc2ccccc2)n1 ZINC000348356596 1125626129 /nfs/dbraw/zinc/62/61/29/1125626129.db2.gz ZSHLEBRTMQZPND-UHFFFAOYSA-N 0 1 270.376 3.549 20 0 CHADMN COc1ccc(CNCc2sccc2C)c(F)c1OC ZINC000885943840 1125628896 /nfs/dbraw/zinc/62/88/96/1125628896.db2.gz DRKGWRUPLFVBIT-UHFFFAOYSA-N 0 1 295.379 3.503 20 0 CHADMN Cc1n[nH]c(CNC(C)(C)c2ccc(Cl)cc2)c1C ZINC000885966844 1125631406 /nfs/dbraw/zinc/63/14/06/1125631406.db2.gz DXKNUYJNDKBSJX-UHFFFAOYSA-N 0 1 277.799 3.705 20 0 CHADMN C[C@@H](c1ccco1)N(C)CCSC(F)(F)F ZINC000885967331 1125632071 /nfs/dbraw/zinc/63/20/71/1125632071.db2.gz MDRGLLDJIMJODY-QMMMGPOBSA-N 0 1 253.289 3.525 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1nc(C(C)C)no1 ZINC000072776210 1125636301 /nfs/dbraw/zinc/63/63/01/1125636301.db2.gz VWWYNDHVROPVII-QWHCGFSZSA-N 0 1 265.401 3.594 20 0 CHADMN Cc1c(F)cccc1NC(=O)c1cn[nH]c1-c1ccccc1 ZINC000073393162 1125638262 /nfs/dbraw/zinc/63/82/62/1125638262.db2.gz PGDWYFZAHGALNJ-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN Cc1nc(-c2cccc(NCc3n[nH]c(C)c3C)c2)oc1C ZINC000886030846 1125639682 /nfs/dbraw/zinc/63/96/82/1125639682.db2.gz WDTZUQYGQMAVCK-UHFFFAOYSA-N 0 1 296.374 3.910 20 0 CHADMN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCCC1 ZINC000074981220 1125644379 /nfs/dbraw/zinc/64/43/79/1125644379.db2.gz VTVKKHQRBGLBOZ-SNVBAGLBSA-N 0 1 277.755 3.547 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@@H](c3ccccc3)[C@H](C)C2)o1 ZINC000246565735 1125646096 /nfs/dbraw/zinc/64/60/96/1125646096.db2.gz DQPSLPQZHDZUSQ-DVOMOZLQSA-N 0 1 285.391 3.565 20 0 CHADMN COc1ccc(CN2CCOCC23CCC3)c2ccccc12 ZINC000093510735 1125647655 /nfs/dbraw/zinc/64/76/55/1125647655.db2.gz VPNVRLXRTNCZHR-UHFFFAOYSA-N 0 1 297.398 3.603 20 0 CHADMN CC(C)C[C@@H]1CCCN([C@H](C)c2nc(C3CC3)no2)C1 ZINC000246831600 1125650181 /nfs/dbraw/zinc/65/01/81/1125650181.db2.gz AIADAXKHTWNZFJ-OLZOCXBDSA-N 0 1 277.412 3.766 20 0 CHADMN CCO[C@H](C)c1noc(C[N@H+]2CCC[C@H]2CCC(C)C)n1 ZINC000246877008 1125650191 /nfs/dbraw/zinc/65/01/91/1125650191.db2.gz LPZZWKWCKDJQFN-KGLIPLIRSA-N 0 1 295.427 3.568 20 0 CHADMN CCO[C@H](C)c1noc(CN2CCC[C@H]2CCC(C)C)n1 ZINC000246877008 1125650194 /nfs/dbraw/zinc/65/01/94/1125650194.db2.gz LPZZWKWCKDJQFN-KGLIPLIRSA-N 0 1 295.427 3.568 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccsc2)c(F)c1OC ZINC000886107162 1125650470 /nfs/dbraw/zinc/65/04/70/1125650470.db2.gz MICTXLLWBXNJRH-SNVBAGLBSA-N 0 1 295.379 3.755 20 0 CHADMN Cc1coc(CN[C@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000886109922 1125651758 /nfs/dbraw/zinc/65/17/58/1125651758.db2.gz UWGXWRAHUFATFN-MRXNPFEDSA-N 0 1 292.810 3.634 20 0 CHADMN CN(CCc1ccc(F)cc1)Cc1ccncc1Cl ZINC000075646719 1125653663 /nfs/dbraw/zinc/65/36/63/1125653663.db2.gz QWIAYVVKUUAFLS-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN Cc1coc(CN[C@@H]2CCCc3c(F)cccc32)c1 ZINC000886127915 1125654012 /nfs/dbraw/zinc/65/40/12/1125654012.db2.gz XDBBYSOVWUREDU-MRXNPFEDSA-N 0 1 259.324 3.894 20 0 CHADMN C[C@@H]1CCCN(Cc2csc(-c3ccccn3)n2)[C@H]1C ZINC000246924485 1125654918 /nfs/dbraw/zinc/65/49/18/1125654918.db2.gz QEAAVAMMTOUITF-OLZOCXBDSA-N 0 1 287.432 3.826 20 0 CHADMN CCC[C@]1(C)CCCN([C@H](C)c2nc(CC)no2)C1 ZINC000247541170 1125657601 /nfs/dbraw/zinc/65/76/01/1125657601.db2.gz PCUBLGBBXKDLTA-IUODEOHRSA-N 0 1 265.401 3.595 20 0 CHADMN CSCCCN1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000247708911 1125659774 /nfs/dbraw/zinc/65/97/74/1125659774.db2.gz ZRJQJCQGTMNZST-HOCLYGCPSA-N 0 1 279.449 3.510 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2F)N(Cc2cccnc2)C1 ZINC000075900207 1125660240 /nfs/dbraw/zinc/66/02/40/1125660240.db2.gz XRYCKAUYQJLFGN-DYVFJYSZSA-N 0 1 270.351 3.804 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2F)N(Cc2cccnc2)C1 ZINC000075900205 1125660701 /nfs/dbraw/zinc/66/07/01/1125660701.db2.gz XRYCKAUYQJLFGN-CXAGYDPISA-N 0 1 270.351 3.804 20 0 CHADMN FC(F)(F)SCCN1CCC[C@@H](c2ccccn2)C1 ZINC000886218388 1125660968 /nfs/dbraw/zinc/66/09/68/1125660968.db2.gz UPZRRBSTVANLQQ-LLVKDONJSA-N 0 1 290.354 3.514 20 0 CHADMN CC[C@H](C)CN(CC)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000248358478 1125664793 /nfs/dbraw/zinc/66/47/93/1125664793.db2.gz QVMTUEBWLODFMG-KBPBESRZSA-N 0 1 297.443 3.671 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1ncco1 ZINC000886274355 1125666091 /nfs/dbraw/zinc/66/60/91/1125666091.db2.gz RDDVXILQBIUMPB-NJZAAPMLSA-N 0 1 274.339 3.801 20 0 CHADMN Cc1nc(CN2C[C@@H]3C[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000886335655 1125670409 /nfs/dbraw/zinc/67/04/09/1125670409.db2.gz GCVXRRSDXUROTA-BETUJISGSA-N 0 1 288.778 3.755 20 0 CHADMN Clc1ccccc1-c1csc(CN2C[C@@H]3C[C@@H]3C2)n1 ZINC000886346211 1125671189 /nfs/dbraw/zinc/67/11/89/1125671189.db2.gz DFHAICBXCBZKKJ-PHIMTYICSA-N 0 1 290.819 3.915 20 0 CHADMN CC(C)[C@H](NCc1ccccc1Cl)c1cnn(C)c1 ZINC000886487764 1125680226 /nfs/dbraw/zinc/68/02/26/1125680226.db2.gz TUVINNNMYNHOFU-HNNXBMFYSA-N 0 1 277.799 3.560 20 0 CHADMN Cc1cnc(CN2CC[C@H](C)[C@@H]2c2ccccc2)o1 ZINC000886541262 1125687638 /nfs/dbraw/zinc/68/76/38/1125687638.db2.gz SQOKCJMZHQOJRA-BLLLJJGKSA-N 0 1 256.349 3.566 20 0 CHADMN c1sc(C2CCCC2)nc1CN1C[C@@H]2CSC[C@@H]2C1 ZINC000886558980 1125689787 /nfs/dbraw/zinc/68/97/87/1125689787.db2.gz XDJSLMIMFRKQIA-BETUJISGSA-N 0 1 294.489 3.596 20 0 CHADMN C/C=C/C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000629376698 1125690361 /nfs/dbraw/zinc/69/03/61/1125690361.db2.gz ZWHLMYXMVFZJLQ-IBUXWKBASA-N 0 1 291.366 3.702 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1cnc(C(C)(C)C)nc1 ZINC000284441916 1125694256 /nfs/dbraw/zinc/69/42/56/1125694256.db2.gz SVFZHQARELCKMI-CQSZACIVSA-N 0 1 283.419 3.933 20 0 CHADMN CSCc1cccc(CN[C@H]2CCc3cccnc32)c1 ZINC000886596975 1125695733 /nfs/dbraw/zinc/69/57/33/1125695733.db2.gz SOWLZMDKMGETOO-INIZCTEOSA-N 0 1 284.428 3.722 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H](C)c1cccc2c1OCO2 ZINC000925295434 1125717667 /nfs/dbraw/zinc/71/76/67/1125717667.db2.gz XEMROECRJSAKCW-QWHCGFSZSA-N 0 1 284.359 3.531 20 0 CHADMN CSCCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000255956526 1125724753 /nfs/dbraw/zinc/72/47/53/1125724753.db2.gz KFIDKKUZLIMLBQ-BXUZGUMPSA-N 0 1 265.422 3.730 20 0 CHADMN C[C@H](N[C@@H]1CCO[C@@H]1C)c1nc(-c2ccccc2)cs1 ZINC000089553679 1125736013 /nfs/dbraw/zinc/73/60/13/1125736013.db2.gz PVKYHUSWHRWPKV-OUCADQQQSA-N 0 1 288.416 3.638 20 0 CHADMN COC[C@@H](N[C@H](C)c1cnn(C(C)C)c1)c1ccccc1 ZINC000089668912 1125737033 /nfs/dbraw/zinc/73/70/33/1125737033.db2.gz LFQKVHZDYUBXFZ-RHSMWYFYSA-N 0 1 287.407 3.502 20 0 CHADMN COc1ccccc1[C@H](N[C@@H](C)C1CC1)c1ccco1 ZINC000090534623 1125742132 /nfs/dbraw/zinc/74/21/32/1125742132.db2.gz MGDPRVPMYBUHLZ-SJCJKPOMSA-N 0 1 271.360 3.766 20 0 CHADMN CC[C@@H](CN[C@@H](C)c1nccs1)Oc1ccccc1C ZINC000090218902 1125741366 /nfs/dbraw/zinc/74/13/66/1125741366.db2.gz NMTXOEPGHAIGGS-KBPBESRZSA-N 0 1 290.432 3.960 20 0 CHADMN CCCc1sc(-c2nc(C3(N)CCC3)no2)cc1CC ZINC000261894516 1125746201 /nfs/dbraw/zinc/74/62/01/1125746201.db2.gz XURZVHYLCOFFQK-UHFFFAOYSA-N 0 1 291.420 3.651 20 0 CHADMN Fc1cc([C@H]2OCC[C@@H]2NCc2ccco2)ccc1Cl ZINC000091068969 1125749083 /nfs/dbraw/zinc/74/90/83/1125749083.db2.gz VNFCGSLHNVTFGS-LSDHHAIUSA-N 0 1 295.741 3.692 20 0 CHADMN Cc1cccc(O[C@@H](C)CN[C@@H](C)c2nccs2)c1 ZINC000091729454 1125752720 /nfs/dbraw/zinc/75/27/20/1125752720.db2.gz OLOUBLDYSBCCKY-STQMWFEESA-N 0 1 276.405 3.570 20 0 CHADMN C[C@H](CCOCc1ccccc1)N[C@H](C)c1cscn1 ZINC000286861501 1125753701 /nfs/dbraw/zinc/75/37/01/1125753701.db2.gz BBXVPOCXTXJWHB-ZIAGYGMSSA-N 0 1 290.432 3.789 20 0 CHADMN C[C@H](NC1(C2CC2)CCC1)c1nc(Cc2ccccc2)no1 ZINC000887146113 1125753863 /nfs/dbraw/zinc/75/38/63/1125753863.db2.gz GKPPTEAYDJFDCF-ZDUSSCGKSA-N 0 1 297.402 3.644 20 0 CHADMN CCN(Cc1ccnn1C)[C@@H](C)c1cc2ccccc2o1 ZINC000092470640 1125758962 /nfs/dbraw/zinc/75/89/62/1125758962.db2.gz VYDFCUVFHYAJBR-ZDUSSCGKSA-N 0 1 283.375 3.749 20 0 CHADMN CCCCN(Cc1nc2cc(Cl)ccc2n1C)C1CC1 ZINC000536645489 1125764677 /nfs/dbraw/zinc/76/46/77/1125764677.db2.gz DIUHBFZWMHYHQQ-UHFFFAOYSA-N 0 1 291.826 3.991 20 0 CHADMN CO[C@H](C)CN(C)c1ccnc2cc(C(F)(F)F)ccc21 ZINC000343800899 1125767550 /nfs/dbraw/zinc/76/75/50/1125767550.db2.gz CJGLJZAYUOWQPA-SNVBAGLBSA-N 0 1 298.308 3.725 20 0 CHADMN CCn1cc(CN2CCCCC[C@@H]2c2ccco2)cn1 ZINC000093441638 1125769572 /nfs/dbraw/zinc/76/95/72/1125769572.db2.gz OXKNDEQJHVXJBP-OAHLLOKOSA-N 0 1 273.380 3.613 20 0 CHADMN c1ccc(-c2cccc(CN3CCOC4(CCC4)C3)c2)nc1 ZINC000093640401 1125770330 /nfs/dbraw/zinc/77/03/30/1125770330.db2.gz XDNSXJAHFOFRJS-UHFFFAOYSA-N 0 1 294.398 3.504 20 0 CHADMN Cc1ccc([C@@H]2CCCCCN2Cc2ccc(CO)o2)o1 ZINC000093559104 1125770390 /nfs/dbraw/zinc/77/03/90/1125770390.db2.gz OAQMQOMZZIBXEG-INIZCTEOSA-N 0 1 289.375 3.791 20 0 CHADMN Cc1ncc([C@H](C)N2C3CCCC2CCC3)c(C)n1 ZINC000638125410 1129244803 /nfs/dbraw/zinc/24/48/03/1129244803.db2.gz WOKCOBXIIHFHEC-GRTSSRMGSA-N 0 1 259.397 3.561 20 0 CHADMN C[C@@H]1CN(Cc2cccc(F)c2N)[C@@H]1c1ccccc1 ZINC000638156068 1129246008 /nfs/dbraw/zinc/24/60/08/1129246008.db2.gz RHNJMJAUMWLSKY-PXAZEXFGSA-N 0 1 270.351 3.601 20 0 CHADMN CC(C)c1n[nH]c(COC(=O)C[C@H](C)C2CCCCC2)n1 ZINC000795372418 1129247191 /nfs/dbraw/zinc/24/71/91/1129247191.db2.gz FMXHZZDILKIPNP-LBPRGKRZSA-N 0 1 293.411 3.578 20 0 CHADMN CC(C)c1nc(COC(=O)C[C@H](C)C2CCCCC2)n[nH]1 ZINC000795372418 1129247193 /nfs/dbraw/zinc/24/71/93/1129247193.db2.gz FMXHZZDILKIPNP-LBPRGKRZSA-N 0 1 293.411 3.578 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CCCC[C@@H]1C ZINC001238696942 1131232740 /nfs/dbraw/zinc/23/27/40/1131232740.db2.gz JEBCLQBAXFOOHC-ZDUSSCGKSA-N 0 1 265.372 3.987 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CCC(C)CC1 ZINC001238695598 1131232970 /nfs/dbraw/zinc/23/29/70/1131232970.db2.gz FKWXIOKQHMDRFR-UHFFFAOYSA-N 0 1 265.372 3.845 20 0 CHADMN CC(C)[C@H](N[C@H](c1nccn1C)C1CC1)c1ccccc1 ZINC000638319752 1129253802 /nfs/dbraw/zinc/25/38/02/1129253802.db2.gz ZOFRBPDJWAUILP-IRXDYDNUSA-N 0 1 283.419 3.858 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@H](C)c1ccccc1Cl ZINC000179951909 1129438445 /nfs/dbraw/zinc/43/84/45/1129438445.db2.gz JLXUDPIZYDMCHM-NXEZZACHSA-N 0 1 263.772 3.783 20 0 CHADMN CCN(CC)Cc1ccc(-c2cscn2)cc1F ZINC001241891867 1129629037 /nfs/dbraw/zinc/62/90/37/1129629037.db2.gz HEUURNALMREBJO-UHFFFAOYSA-N 0 1 264.369 3.791 20 0 CHADMN Fc1ccc2c(c1)nccc2NCc1cccnc1F ZINC000795228628 1129194808 /nfs/dbraw/zinc/19/48/08/1129194808.db2.gz HMNVTTXONKJOBP-UHFFFAOYSA-N 0 1 271.270 3.520 20 0 CHADMN CSc1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)s1 ZINC000652064656 1129757224 /nfs/dbraw/zinc/75/72/24/1129757224.db2.gz WRIZGHCTKIDUEP-LLVKDONJSA-N 0 1 275.389 3.701 20 0 CHADMN Brc1cccnc1CN1CCC[C@H]2CCC[C@H]21 ZINC000384075994 1129834099 /nfs/dbraw/zinc/83/40/99/1129834099.db2.gz RSYFKKBXRGCORI-BXUZGUMPSA-N 0 1 295.224 3.609 20 0 CHADMN CC1=CCN(Cc2ccc(CSC(F)F)o2)CC1 ZINC000769446320 1129910169 /nfs/dbraw/zinc/91/01/69/1129910169.db2.gz MWQBEQUBNJJFSX-UHFFFAOYSA-N 0 1 273.348 3.887 20 0 CHADMN CC1=CC[C@@](C)(C(=O)Nc2ncc(C(F)(F)F)[nH]2)CC1 ZINC000621916300 1129205930 /nfs/dbraw/zinc/20/59/30/1129205930.db2.gz FJZFKPKVMQNRKD-GFCCVEGCSA-N 0 1 287.285 3.504 20 0 CHADMN CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cccc(Cl)c1O ZINC000481666452 1126704681 /nfs/dbraw/zinc/70/46/81/1126704681.db2.gz ISMBEILZPKXWFD-OTYXRUKQSA-N 0 1 267.756 3.666 20 0 CHADMN C[C@H](N[C@@H](C)c1ccncc1F)c1ccc(F)cc1 ZINC000338008623 1126708970 /nfs/dbraw/zinc/70/89/70/1126708970.db2.gz QWHIJNAJONEONM-QWRGUYRKSA-N 0 1 262.303 3.772 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccncc2F)cc1 ZINC000338010899 1126709519 /nfs/dbraw/zinc/70/95/19/1126709519.db2.gz GQEYECCMALKFJZ-NEPJUHHUSA-N 0 1 274.339 3.641 20 0 CHADMN c1ccc(-c2cnc(CN[C@H]3CC[C@@H]3C3CCC3)nc2)cc1 ZINC000338012707 1126709913 /nfs/dbraw/zinc/70/99/13/1126709913.db2.gz MSNAITPHMUFWJE-MSOLQXFVSA-N 0 1 293.414 3.812 20 0 CHADMN CC(C)CC[C@@H](O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000481727985 1126709971 /nfs/dbraw/zinc/70/99/71/1126709971.db2.gz SAZYVIZDCYEQJF-LLVKDONJSA-N 0 1 275.845 3.630 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccs1)c1ccncc1F ZINC000338012509 1126710118 /nfs/dbraw/zinc/71/01/18/1126710118.db2.gz BDPILGUXNBUSID-ZJUUUORDSA-N 0 1 250.342 3.694 20 0 CHADMN CC(C)CC[C@H](O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000481727986 1126710226 /nfs/dbraw/zinc/71/02/26/1126710226.db2.gz SAZYVIZDCYEQJF-NSHDSACASA-N 0 1 275.845 3.630 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@H](CO)CC2CCCC2)cs1 ZINC000338021486 1126711982 /nfs/dbraw/zinc/71/19/82/1126711982.db2.gz UVNGGDSDODOAHZ-OCCSQVGLSA-N 0 1 296.480 3.858 20 0 CHADMN CN(CCC1CC1)Cc1csc(-c2ccoc2)n1 ZINC000135261497 1126714570 /nfs/dbraw/zinc/71/45/70/1126714570.db2.gz VKAVUUUXVHRPJR-UHFFFAOYSA-N 0 1 262.378 3.635 20 0 CHADMN CSC[C@@H]1CCCN1Cc1csc(-c2ccoc2)n1 ZINC000135484816 1126718669 /nfs/dbraw/zinc/71/86/69/1126718669.db2.gz UCLUEZCKONWWGW-ZDUSSCGKSA-N 0 1 294.445 3.731 20 0 CHADMN Cc1nc2ccc(CS[C@@H]3COC(C)(C)C3)cc2[nH]1 ZINC000600574785 1126718700 /nfs/dbraw/zinc/71/87/00/1126718700.db2.gz XLIVPQKWEYADTG-LBPRGKRZSA-N 0 1 276.405 3.672 20 0 CHADMN C1CCC(c2noc([C@@H]3NCC[C@@H]4CCCC[C@@H]34)n2)C1 ZINC000899997802 1126722457 /nfs/dbraw/zinc/72/24/57/1126722457.db2.gz ISFWOBPQVNKLTL-IACUBPJLSA-N 0 1 275.396 3.568 20 0 CHADMN CN(Cc1nccn1C(F)F)C[C@@H]1CCCC(F)(F)C1 ZINC000338265411 1126728480 /nfs/dbraw/zinc/72/84/80/1126728480.db2.gz XFEQRXDZCCMNQI-SNVBAGLBSA-N 0 1 293.308 3.536 20 0 CHADMN CC(C)SCCN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000338278266 1126730153 /nfs/dbraw/zinc/73/01/53/1126730153.db2.gz GVKROLWPBNAADS-AWEZNQCLSA-N 0 1 298.521 3.568 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1N[C@H](C)c1nnc(C)s1 ZINC000338276190 1126730421 /nfs/dbraw/zinc/73/04/21/1126730421.db2.gz APTBXWBZOCSUDJ-ADEWGFFLSA-N 0 1 285.482 3.561 20 0 CHADMN CC(C)COC[C@@H](NCCSC(C)C)c1ccco1 ZINC000338291706 1126731746 /nfs/dbraw/zinc/73/17/46/1126731746.db2.gz PHUQWRAXNKJKGB-CQSZACIVSA-N 0 1 285.453 3.725 20 0 CHADMN CC(C)c1ccccc1NC(=O)c1cccc2nc[nH]c21 ZINC000157825360 1126733276 /nfs/dbraw/zinc/73/32/76/1126733276.db2.gz ZWVPKWQXTRZTAD-UHFFFAOYSA-N 0 1 279.343 3.939 20 0 CHADMN CO[C@H](CN1C[C@H](C)O[C@@H](C)[C@H]1C)c1ccc(Cl)cc1 ZINC000338345435 1126736187 /nfs/dbraw/zinc/73/61/87/1126736187.db2.gz AIHGYXDLZYCKDA-RSUWNVLCSA-N 0 1 297.826 3.525 20 0 CHADMN C[C@@H](C1CCCCC1)N(C)Cc1nccn1C(F)F ZINC000338351103 1126736819 /nfs/dbraw/zinc/73/68/19/1126736819.db2.gz RZXBVGCZRLMORQ-NSHDSACASA-N 0 1 271.355 3.679 20 0 CHADMN COc1c(Br)cccc1CN1CC[C@H](C)[C@@H]1C ZINC000481993270 1126737030 /nfs/dbraw/zinc/73/70/30/1126737030.db2.gz NQYYIMQGCVDHIJ-QWRGUYRKSA-N 0 1 298.224 3.688 20 0 CHADMN CC[C@H]1CCN(Cc2cccc(Br)c2OC)C1 ZINC000482001285 1126737253 /nfs/dbraw/zinc/73/72/53/1126737253.db2.gz SQTZVTFKZYICJW-NSHDSACASA-N 0 1 298.224 3.690 20 0 CHADMN C[C@H](NCCOC1CCCCCC1)c1ccncc1F ZINC000338357164 1126737805 /nfs/dbraw/zinc/73/78/05/1126737805.db2.gz NKRGAWFXGLDJAC-ZDUSSCGKSA-N 0 1 280.387 3.611 20 0 CHADMN C[C@@H](N[C@@H](C)Cc1ccccc1C(F)(F)F)c1ccon1 ZINC000481997395 1126738988 /nfs/dbraw/zinc/73/89/88/1126738988.db2.gz DXGGVHULCUVSBS-WDEREUQCSA-N 0 1 298.308 3.975 20 0 CHADMN CCCCc1nc(CN[C@@H]2CC(C)(C)OC2(C)C)cs1 ZINC000482160524 1126744060 /nfs/dbraw/zinc/74/40/60/1126744060.db2.gz BCLAVEPYYQFHAD-CYBMUJFWSA-N 0 1 296.480 3.921 20 0 CHADMN CCCCC[C@H](OCCN1CCN(C)CC1)[C@@H](C)CCC ZINC001224548589 1126744563 /nfs/dbraw/zinc/74/45/63/1126744563.db2.gz DDEMBTKVADAZPA-ROUUACIJSA-N 0 1 298.515 3.636 20 0 CHADMN CN(Cc1ccccc1OC1CCCC1)C[C@@H]1CCCO1 ZINC000482296080 1126750406 /nfs/dbraw/zinc/75/04/06/1126750406.db2.gz MEZPTIKMXHOLIO-KRWDZBQOSA-N 0 1 289.419 3.619 20 0 CHADMN CCOCc1ccc(CN[C@@H](C)c2cncc(F)c2)cc1 ZINC000151640285 1126755895 /nfs/dbraw/zinc/75/58/95/1126755895.db2.gz GXLMVACGCNZIFF-ZDUSSCGKSA-N 0 1 288.366 3.608 20 0 CHADMN CN(CCOc1ccccc1C(C)(C)C)Cc1cccnc1 ZINC000482443437 1126756455 /nfs/dbraw/zinc/75/64/55/1126756455.db2.gz ZAQFYBUZRQLIJR-UHFFFAOYSA-N 0 1 298.430 3.890 20 0 CHADMN CC[C@H](Cc1ccc(Cl)cc1)N[C@H](C)c1nc(C)no1 ZINC000668050058 1126757537 /nfs/dbraw/zinc/75/75/37/1126757537.db2.gz FCVDRZKVGGDDTP-QMTHXVAHSA-N 0 1 293.798 3.703 20 0 CHADMN Clc1ccc2c(n1)[C@@H](NCc1cccs1)CC2 ZINC000791139460 1130354910 /nfs/dbraw/zinc/35/49/10/1130354910.db2.gz ZPBNGGRUSZFLNR-NSHDSACASA-N 0 1 264.781 3.574 20 0 CHADMN C[C@@H](Nc1cc2c(cn1)CCC2)c1cc2cnccc2o1 ZINC000668196753 1126765012 /nfs/dbraw/zinc/76/50/12/1126765012.db2.gz VUPYDDMRHCTXBM-LLVKDONJSA-N 0 1 279.343 3.885 20 0 CHADMN CC(C)(CC[N@H+](Cc1ccccc1F)CC1CC1)C(=O)[O-] ZINC000902473772 1126765420 /nfs/dbraw/zinc/76/54/20/1126765420.db2.gz CNICBUMVWVTKIX-UHFFFAOYSA-N 0 1 293.382 3.539 20 0 CHADMN Fc1ccc(Oc2ccc(CN3CC[C@@H]3C3CC3)cn2)cc1 ZINC000668209111 1126768402 /nfs/dbraw/zinc/76/84/02/1126768402.db2.gz UGNOTUKEAMJPKI-QGZVFWFLSA-N 0 1 298.361 3.997 20 0 CHADMN C[C@H](CC1CCC1)NCc1nnc(C(C)(C)C)s1 ZINC000678597902 1130436177 /nfs/dbraw/zinc/43/61/77/1130436177.db2.gz JSQCFHBXTFOAKX-SNVBAGLBSA-N 0 1 267.442 3.504 20 0 CHADMN Cc1ccc(CNC2(c3cccc(F)c3)CCOCC2)o1 ZINC000174648785 1126772230 /nfs/dbraw/zinc/77/22/30/1126772230.db2.gz CAZIBPXLNMKALB-UHFFFAOYSA-N 0 1 289.350 3.523 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)N[C@H](C)c1cncc(F)c1 ZINC000162393189 1126773247 /nfs/dbraw/zinc/77/32/47/1126773247.db2.gz HWUUJIBUYHJXDF-CHWSQXEVSA-N 0 1 288.366 3.950 20 0 CHADMN CCCCCN[C@@H](CO)c1c(Cl)cccc1Cl ZINC000483240373 1126773969 /nfs/dbraw/zinc/77/39/69/1126773969.db2.gz HMGOYJOOQNTMLS-LBPRGKRZSA-N 0 1 276.207 3.807 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1F ZINC000162543873 1126778947 /nfs/dbraw/zinc/77/89/47/1126778947.db2.gz BVTNTHYZFLAUIG-CYBMUJFWSA-N 0 1 299.773 3.698 20 0 CHADMN CCN(C)c1ccc(CN2C[C@H](C)[C@@H]2c2ccccc2)cn1 ZINC000483286888 1126779188 /nfs/dbraw/zinc/77/91/88/1126779188.db2.gz QCSPWXDCPKCRTG-HNAYVOBHSA-N 0 1 295.430 3.731 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000483259727 1126776247 /nfs/dbraw/zinc/77/62/47/1126776247.db2.gz NHIXJELBVNKJCR-OAHLLOKOSA-N 0 1 299.418 3.995 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000483259727 1126776248 /nfs/dbraw/zinc/77/62/48/1126776248.db2.gz NHIXJELBVNKJCR-OAHLLOKOSA-N 0 1 299.418 3.995 20 0 CHADMN CCN(Cc1c(F)cccc1F)CC1(OC)CCCC1 ZINC000483293140 1126777080 /nfs/dbraw/zinc/77/70/80/1126777080.db2.gz HCABJYBJPKTJHF-UHFFFAOYSA-N 0 1 283.362 3.746 20 0 CHADMN CCCOc1ccc(CN2CC3(CC(F)C3)C2)c(C)c1 ZINC000668232075 1126777270 /nfs/dbraw/zinc/77/72/70/1126777270.db2.gz BARDXZBWQAIIDU-UHFFFAOYSA-N 0 1 277.383 3.718 20 0 CHADMN CN(Cc1csc(N(C)C2CC2)n1)CC1CCCCC1 ZINC000483415318 1126786024 /nfs/dbraw/zinc/78/60/24/1126786024.db2.gz ZMFLCDWWXCETRX-UHFFFAOYSA-N 0 1 293.480 3.754 20 0 CHADMN Cc1ccncc1CN[C@H](C)c1cc(F)cc(F)c1 ZINC000162703340 1126787559 /nfs/dbraw/zinc/78/75/59/1126787559.db2.gz BULIXQHSHRAXTI-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN C[C@@]12CCN(Cc3ccc(F)cc3)C[C@@H]1C2(Cl)Cl ZINC000792910659 1130504936 /nfs/dbraw/zinc/50/49/36/1130504936.db2.gz FMWHKRANMODVMJ-QWHCGFSZSA-N 0 1 288.193 3.841 20 0 CHADMN CC(C)[C@@H]1CCC[C@H]1N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000483656463 1126797023 /nfs/dbraw/zinc/79/70/23/1126797023.db2.gz RQKFCNRWDHOMKU-RWMBFGLXSA-N 0 1 279.428 3.842 20 0 CHADMN C[C@H](N(C)Cc1csc(-c2ccccn2)n1)C1(C)CC1 ZINC000177220406 1126798563 /nfs/dbraw/zinc/79/85/63/1126798563.db2.gz HLXCXGRWYHWYLY-LBPRGKRZSA-N 0 1 287.432 3.826 20 0 CHADMN Clc1ccc(CN2CCS[C@H]3CCCC[C@@H]32)cn1 ZINC000177183490 1126799033 /nfs/dbraw/zinc/79/90/33/1126799033.db2.gz KJPFWIRXLJFUIM-STQMWFEESA-N 0 1 282.840 3.595 20 0 CHADMN Cc1cc(C)c(NC(=O)CN(C)[C@H](C)C2(C)CC2)c(C)c1 ZINC000177232843 1126799131 /nfs/dbraw/zinc/79/91/31/1126799131.db2.gz JDPHTEQICOWMQX-OAHLLOKOSA-N 0 1 288.435 3.671 20 0 CHADMN Cc1nc([C@@H](C)N[C@H]2CC(C)(C)OC2(C)C)c(C)s1 ZINC000679359173 1130520953 /nfs/dbraw/zinc/52/09/53/1130520953.db2.gz KZFJCEPJDMPDTK-SKDRFNHKSA-N 0 1 282.453 3.757 20 0 CHADMN C[C@H](CCC(F)(F)F)N[C@@H]1c2ccccc2OC[C@H]1F ZINC000903273130 1126799903 /nfs/dbraw/zinc/79/99/03/1126799903.db2.gz UCQXDYVMPFTSBS-IRUJWGPZSA-N 0 1 291.288 3.779 20 0 CHADMN CC(C)c1noc(CN2CC[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000177550141 1126802573 /nfs/dbraw/zinc/80/25/73/1126802573.db2.gz YWASNORFNRDSJP-ZFWWWQNUSA-N 0 1 285.391 3.571 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1CC[C@H](C)[C@@H]1C ZINC000177912903 1126807091 /nfs/dbraw/zinc/80/70/91/1126807091.db2.gz KYUFROJIOVFBTD-ZFWWWQNUSA-N 0 1 288.435 3.787 20 0 CHADMN CC(C)[C@H]1N(Cc2nccn2C(C)C)CC12CC=CC2 ZINC000668277443 1126804208 /nfs/dbraw/zinc/80/42/08/1126804208.db2.gz HVNSKDMPWRSAGC-MRXNPFEDSA-N 0 1 273.424 3.641 20 0 CHADMN COc1ccc(Cl)c(CN2CCC(C(F)F)CC2)c1 ZINC000483934711 1126805696 /nfs/dbraw/zinc/80/56/96/1126805696.db2.gz PSCHXDQUQJJOIP-UHFFFAOYSA-N 0 1 289.753 3.826 20 0 CHADMN CC[C@H](NCc1ccnc(OC)c1)c1ccc(F)cc1F ZINC000177841993 1126805785 /nfs/dbraw/zinc/80/57/85/1126805785.db2.gz SWHSHDAULKHAAR-HNNXBMFYSA-N 0 1 292.329 3.609 20 0 CHADMN Clc1ccc([C@H](N[C@@H]2CCOC2)c2ccsc2)cc1 ZINC000177917488 1126807779 /nfs/dbraw/zinc/80/77/79/1126807779.db2.gz KWJCYWSCMGDSPF-CABCVRRESA-N 0 1 293.819 3.869 20 0 CHADMN Cc1cccc2nc(CN[C@@H]3c4ccccc4C[C@H]3C)cn21 ZINC000178058280 1126808409 /nfs/dbraw/zinc/80/84/09/1126808409.db2.gz GAHVLFOIULDTSG-YJYMSZOUSA-N 0 1 291.398 3.666 20 0 CHADMN COc1cccc(CN2C[C@@H]3CCCC[C@@H]32)c1OC(F)F ZINC000668300879 1126808728 /nfs/dbraw/zinc/80/87/28/1126808728.db2.gz ZFECYMTTWUCMHL-AAEUAGOBSA-N 0 1 297.345 3.671 20 0 CHADMN COCCC[C@H](C)N[C@@H](c1nccs1)c1ccccc1 ZINC000178197564 1126809907 /nfs/dbraw/zinc/80/99/07/1126809907.db2.gz LBEVACPHVFSIGN-DZGCQCFKSA-N 0 1 290.432 3.637 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H](C)C3CC3)[nH]c2c1 ZINC000178459812 1126813350 /nfs/dbraw/zinc/81/33/50/1126813350.db2.gz VMVGMYUVLANKNY-WBMJQRKESA-N 0 1 297.402 3.581 20 0 CHADMN Nc1ccc(CN2CCCC(F)(F)CC2)c(Cl)c1 ZINC000702801259 1130546088 /nfs/dbraw/zinc/54/60/88/1130546088.db2.gz AYQSKJSSGKYJDU-UHFFFAOYSA-N 0 1 274.742 3.543 20 0 CHADMN C[C@@H](NCc1ccc([C@H](C)O)cc1)c1ccc(F)cc1F ZINC000178546740 1126815709 /nfs/dbraw/zinc/81/57/09/1126815709.db2.gz DIWDPFVUBYDMPM-NEPJUHHUSA-N 0 1 291.341 3.869 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1ccc2ccccc2n1 ZINC000178723191 1126818953 /nfs/dbraw/zinc/81/89/53/1126818953.db2.gz PDIMBXIPAXFFET-GXTWGEPZSA-N 0 1 294.402 3.689 20 0 CHADMN COC(=O)[C@@H](C)N(Cc1cccc2ccccc21)C1CCC1 ZINC000484473143 1126819963 /nfs/dbraw/zinc/81/99/63/1126819963.db2.gz JBNXOKXUMVYEEU-CQSZACIVSA-N 0 1 297.398 3.756 20 0 CHADMN CCS[C@H](C)c1noc([C@@H]2CC[C@H]3CCCC[C@@H]3N2)n1 ZINC000904098647 1126828547 /nfs/dbraw/zinc/82/85/47/1126828547.db2.gz YHXIQVAJPOBCRG-NDBYEHHHSA-N 0 1 295.452 3.867 20 0 CHADMN CCC(CC)NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179508946 1126829192 /nfs/dbraw/zinc/82/91/92/1126829192.db2.gz CVALHSPANFFRBM-UHFFFAOYSA-N 0 1 296.321 3.811 20 0 CHADMN C[C@@H]1CCCCCN1Cc1c(Cl)nccc1N(C)C ZINC001234133787 1130611282 /nfs/dbraw/zinc/61/12/82/1130611282.db2.gz OGNDFKQGOPGBNE-GFCCVEGCSA-N 0 1 281.831 3.566 20 0 CHADMN CCC[C@H](C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179839822 1126834659 /nfs/dbraw/zinc/83/46/59/1126834659.db2.gz QICPCPFAGAMDBS-QMMMGPOBSA-N 0 1 281.306 3.875 20 0 CHADMN CCc1noc(-c2cc(-c3ccc4ccccc4c3)n[nH]2)n1 ZINC000904342764 1126846574 /nfs/dbraw/zinc/84/65/74/1126846574.db2.gz BEEHNEZJXBMCCM-UHFFFAOYSA-N 0 1 290.326 3.842 20 0 CHADMN CO[C@@H](CN[C@H](c1ccccc1)c1ccccn1)C(C)(C)C ZINC000180690858 1126847505 /nfs/dbraw/zinc/84/75/05/1126847505.db2.gz DHAGCZSKHYDIDB-ZWKOTPCHSA-N 0 1 298.430 3.822 20 0 CHADMN COC[C@@H](N[C@@H]1CCc2ccc(OC)cc21)c1ccccc1 ZINC000180840646 1126849548 /nfs/dbraw/zinc/84/95/48/1126849548.db2.gz UUPXCKYFILLCSB-RTBURBONSA-N 0 1 297.398 3.660 20 0 CHADMN CC[C@H](C[N@H+]1CCC[C@@](CC)(C(=O)[O-])C1)c1ccccc1 ZINC000904401124 1126851900 /nfs/dbraw/zinc/85/19/00/1126851900.db2.gz NDEHKORAPJNCDJ-CRAIPNDOSA-N 0 1 289.419 3.757 20 0 CHADMN COCCN(Cc1ncc(C(C)(C)C)o1)[C@H]1CC[C@@H](C)C1 ZINC000484874616 1126852895 /nfs/dbraw/zinc/85/28/95/1126852895.db2.gz AKRXJQRSXFTXJE-KGLIPLIRSA-N 0 1 294.439 3.609 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(Cl)nc2)cc1F ZINC000181375582 1126855071 /nfs/dbraw/zinc/85/50/71/1126855071.db2.gz JEXBOBLPOOMUSR-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN CC[C@@H](NCc1cncc(C)c1)c1cc(F)ccc1F ZINC000181833027 1126862080 /nfs/dbraw/zinc/86/20/80/1126862080.db2.gz GQNDSDPCKIIIDX-MRXNPFEDSA-N 0 1 276.330 3.909 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cncc(C)c1 ZINC000181841932 1126861514 /nfs/dbraw/zinc/86/15/14/1126861514.db2.gz RWGHDBBDKOHGKG-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN CCc1ccccc1-c1cnc([C@@H]2CCCCN2)nc1 ZINC000904840932 1126878529 /nfs/dbraw/zinc/87/85/29/1126878529.db2.gz DFNIEWDUDKDQGM-INIZCTEOSA-N 0 1 267.376 3.521 20 0 CHADMN CCc1ccccc1-c1cnc([C@H]2CCCCN2)nc1 ZINC000904840934 1126878961 /nfs/dbraw/zinc/87/89/61/1126878961.db2.gz DFNIEWDUDKDQGM-MRXNPFEDSA-N 0 1 267.376 3.521 20 0 CHADMN c1nc2cccc(-c3cccc(CO[C@H]4CCOC4)c3)c2[nH]1 ZINC000904796080 1126875452 /nfs/dbraw/zinc/87/54/52/1126875452.db2.gz HFDQEYVFXOPBCR-HNNXBMFYSA-N 0 1 294.354 3.535 20 0 CHADMN CCC[C@@H](NC[C@H]1CCCCO1)c1ncccc1Cl ZINC000924802224 1126884973 /nfs/dbraw/zinc/88/49/73/1126884973.db2.gz IACSCPDSXKMZRE-TZMCWYRMSA-N 0 1 282.815 3.735 20 0 CHADMN Cc1cc(-n2[nH]c(C3CCC3)cc2=O)ccc1Cl ZINC000905022970 1126888423 /nfs/dbraw/zinc/88/84/23/1126888423.db2.gz IYDZHKJSPUZMHM-UHFFFAOYSA-N 0 1 262.740 3.541 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CC[C@H](C)[C@@H]2C)s1 ZINC000183602720 1126889833 /nfs/dbraw/zinc/88/98/33/1126889833.db2.gz ADCYRWRSXRTDCW-YUMQZZPRSA-N 0 1 278.343 3.701 20 0 CHADMN CCN(Cc1ccccc1C)[C@H](C)C(=O)NC(C)(C)CC ZINC000485152488 1126890626 /nfs/dbraw/zinc/89/06/26/1126890626.db2.gz ZOGOVSFPUPKEES-OAHLLOKOSA-N 0 1 290.451 3.510 20 0 CHADMN Cc1ccc(F)cc1CN(C)[C@@H](C)c1cccnc1 ZINC000183726303 1126890994 /nfs/dbraw/zinc/89/09/94/1126890994.db2.gz UTFXSKIPHAONEQ-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN CC(=O)Nc1cccc(CN[C@H](C)c2cc(C)oc2C)c1 ZINC000183794474 1126891930 /nfs/dbraw/zinc/89/19/30/1126891930.db2.gz ZVEYAYKHRJRGNI-GFCCVEGCSA-N 0 1 286.375 3.706 20 0 CHADMN Fc1cccc(N2CCCC2)c1CN1CC2(C1)CCCC2 ZINC000485302313 1126902813 /nfs/dbraw/zinc/90/28/13/1126902813.db2.gz DVFRYKCLNKXWBG-UHFFFAOYSA-N 0 1 288.410 3.802 20 0 CHADMN CC[C@H](NCCSC)c1nc(C(F)(F)F)cs1 ZINC000185926628 1126905119 /nfs/dbraw/zinc/90/51/19/1126905119.db2.gz LYWYLUGPUYCJEM-ZETCQYMHSA-N 0 1 284.372 3.566 20 0 CHADMN CC(C)(O)c1ccc(CNCc2cc3ccccc3o2)cc1 ZINC000187498915 1126911106 /nfs/dbraw/zinc/91/11/06/1126911106.db2.gz UQYFSLWZXNMUQE-UHFFFAOYSA-N 0 1 295.382 3.950 20 0 CHADMN CCN(C)[C@@H](C(=O)N(CC)CC(C)(C)C)c1ccccc1 ZINC000485452589 1126915526 /nfs/dbraw/zinc/91/55/26/1126915526.db2.gz HPIAHCGESJGFPS-MRXNPFEDSA-N 0 1 290.451 3.574 20 0 CHADMN Cc1cccc([C@@H](O)CN2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000905957211 1126923320 /nfs/dbraw/zinc/92/33/20/1126923320.db2.gz MBWCEBJXRMEEPI-ZWKOTPCHSA-N 0 1 296.414 3.507 20 0 CHADMN COCC1(C2CCC2)CN(C/C=C/c2ccc(F)cc2)C1 ZINC000668513419 1126924445 /nfs/dbraw/zinc/92/44/45/1126924445.db2.gz ISYDXSKWTJPYPQ-ONEGZZNKSA-N 0 1 289.394 3.587 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC([C@H]2CCCO2)CC1 ZINC000189123276 1126928325 /nfs/dbraw/zinc/92/83/25/1126928325.db2.gz ZJRHVZJXVWHZBJ-YVEFUNNKSA-N 0 1 295.373 3.917 20 0 CHADMN CN(CCc1nccs1)Cc1cc(F)ccc1Cl ZINC000189268571 1126929474 /nfs/dbraw/zinc/92/94/74/1126929474.db2.gz NALSUZDZTRDCQZ-UHFFFAOYSA-N 0 1 284.787 3.610 20 0 CHADMN Cc1ccnc(CN2CCCC3(CCC3)C2)c1Cl ZINC001235596027 1130756866 /nfs/dbraw/zinc/75/68/66/1130756866.db2.gz PUMUAGJXSSPKSI-UHFFFAOYSA-N 0 1 264.800 3.810 20 0 CHADMN Cc1ccnc(CN2CC[C@H](C)C[C@@H]2C)c1Cl ZINC001235587204 1130757354 /nfs/dbraw/zinc/75/73/54/1130757354.db2.gz ZVDYHYZJWMOCNT-JQWIXIFHSA-N 0 1 252.789 3.664 20 0 CHADMN FC(F)c1cscc1-c1cnc([C@@H]2CCCCN2)nc1 ZINC000906193050 1126936712 /nfs/dbraw/zinc/93/67/12/1126936712.db2.gz DMCNSDIFYVGUFF-LBPRGKRZSA-N 0 1 295.358 3.957 20 0 CHADMN COCCOCc1cccc(-c2ccc3n[nH]c(C)c3c2)c1 ZINC000906204113 1126938090 /nfs/dbraw/zinc/93/80/90/1126938090.db2.gz GXFCWBYKWPBWOE-UHFFFAOYSA-N 0 1 296.370 3.701 20 0 CHADMN Cc1ccc(Cl)cc1-c1cnc([C@H]2CCCCN2)nc1 ZINC000906197186 1126941103 /nfs/dbraw/zinc/94/11/03/1126941103.db2.gz CPPKUGCDWHCRSX-OAHLLOKOSA-N 0 1 287.794 3.920 20 0 CHADMN CCC(=O)CCN(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000190311075 1126941255 /nfs/dbraw/zinc/94/12/55/1126941255.db2.gz PYYSPOZUHFQRIC-GFCCVEGCSA-N 0 1 282.453 3.937 20 0 CHADMN CC[C@@H](NCc1ccc(Br)o1)c1ccncc1 ZINC000191184584 1126949414 /nfs/dbraw/zinc/94/94/14/1126949414.db2.gz USFQPOQGXUYHNB-GFCCVEGCSA-N 0 1 295.180 3.678 20 0 CHADMN CCCN(Cc1cn(C2CC2)nn1)[C@@H]1CCc2ccccc21 ZINC000906261644 1126944989 /nfs/dbraw/zinc/94/49/89/1126944989.db2.gz XDGBWHONCMBGIC-GOSISDBHSA-N 0 1 296.418 3.513 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1csc(Cl)c1 ZINC000191334621 1126950670 /nfs/dbraw/zinc/95/06/70/1126950670.db2.gz KVIZCZLYHAPTQT-FGEZKYSXSA-N 0 1 293.819 3.710 20 0 CHADMN CC(C)c1ccc([C@@H](C)N2CCO[C@@H](C3CC3)C2)cc1 ZINC000485831075 1126955071 /nfs/dbraw/zinc/95/50/71/1126955071.db2.gz NXHZCVYRRJDHFQ-RDTXWAMCSA-N 0 1 273.420 3.982 20 0 CHADMN Clc1cc(CN2CCC(c3ccncc3)CC2)ccn1 ZINC000191634228 1126953473 /nfs/dbraw/zinc/95/34/73/1126953473.db2.gz XGONVCDMHPQVFY-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN Oc1cccc2c1CCC[C@H]2NCc1ccccc1F ZINC000191665308 1126954645 /nfs/dbraw/zinc/95/46/45/1126954645.db2.gz XAJMNWPVZLJNHD-MRXNPFEDSA-N 0 1 271.335 3.699 20 0 CHADMN CCC1(CC)CCN(CC(=O)Nc2ccccc2)CC1 ZINC000485854793 1126957671 /nfs/dbraw/zinc/95/76/71/1126957671.db2.gz LDDRGUJYYVYAQL-UHFFFAOYSA-N 0 1 274.408 3.527 20 0 CHADMN C[C@@H]1CCN(Cc2ncc(-c3ccccc3)o2)CCS1 ZINC000192168649 1126958568 /nfs/dbraw/zinc/95/85/68/1126958568.db2.gz NJAIGAJRKZZMKQ-CYBMUJFWSA-N 0 1 288.416 3.669 20 0 CHADMN C[C@@H]1CN([C@@H]2C[C@@H]2c2cccc(F)c2)CCC1(F)F ZINC000906590126 1126959362 /nfs/dbraw/zinc/95/93/62/1126959362.db2.gz NFGLUFCRZBXCQU-LERXQTSPSA-N 0 1 269.310 3.659 20 0 CHADMN Cc1[nH]ncc1CNc1cnn(-c2ccccc2)c1C(C)C ZINC000192240488 1126959443 /nfs/dbraw/zinc/95/94/43/1126959443.db2.gz KTBKCWLZNIEUKE-UHFFFAOYSA-N 0 1 295.390 3.639 20 0 CHADMN COc1cc(CN[C@@H]2CCCc3occc32)ccc1C ZINC000192762255 1126964075 /nfs/dbraw/zinc/96/40/75/1126964075.db2.gz QIINQNPPRWQUBG-OAHLLOKOSA-N 0 1 271.360 3.764 20 0 CHADMN CCc1nn(C)c(CC)c1CNCc1sccc1Cl ZINC000193182538 1126967516 /nfs/dbraw/zinc/96/75/16/1126967516.db2.gz XNVKQSSEXYTXAV-UHFFFAOYSA-N 0 1 297.855 3.550 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@H](CCF)C2)c1Cl ZINC000668593230 1126973784 /nfs/dbraw/zinc/97/37/84/1126973784.db2.gz ZQPXQIQKXSAFLD-LLVKDONJSA-N 0 1 271.763 3.617 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@H](CCF)C2)c1Cl ZINC000668593230 1126973786 /nfs/dbraw/zinc/97/37/86/1126973786.db2.gz ZQPXQIQKXSAFLD-LLVKDONJSA-N 0 1 271.763 3.617 20 0 CHADMN Oc1cccc(CN2CCC[C@H](CCF)C2)c1Cl ZINC000668593230 1126973791 /nfs/dbraw/zinc/97/37/91/1126973791.db2.gz ZQPXQIQKXSAFLD-LLVKDONJSA-N 0 1 271.763 3.617 20 0 CHADMN C=Cn1cc(CN(CC)[C@@H](C)c2cccc(OC)c2)cn1 ZINC000193718084 1126970123 /nfs/dbraw/zinc/97/01/23/1126970123.db2.gz QPRGIHBWBRXMSM-AWEZNQCLSA-N 0 1 285.391 3.575 20 0 CHADMN C=Cn1cc(CNc2ccc(N(CC)C(C)C)cc2)cn1 ZINC000194090189 1126972336 /nfs/dbraw/zinc/97/23/36/1126972336.db2.gz JQKABDUKTLSXLZ-UHFFFAOYSA-N 0 1 284.407 3.830 20 0 CHADMN FCC[C@H]1CCCN(Cc2cnc3ccc(Cl)cn23)C1 ZINC000668591905 1126972711 /nfs/dbraw/zinc/97/27/11/1126972711.db2.gz DIHVORRWGANEBC-GFCCVEGCSA-N 0 1 295.789 3.559 20 0 CHADMN Oc1cccc(C[N@H+]2CCC[C@H](CCF)C2)c1Cl ZINC000668593230 1126973781 /nfs/dbraw/zinc/97/37/81/1126973781.db2.gz ZQPXQIQKXSAFLD-LLVKDONJSA-N 0 1 271.763 3.617 20 0 CHADMN CCCC[C@@H](CC)CN[C@@H](c1ncc[nH]1)c1cccnc1 ZINC000194959935 1126977411 /nfs/dbraw/zinc/97/74/11/1126977411.db2.gz ISHWXIFQLCQMNT-GDBMZVCRSA-N 0 1 286.423 3.700 20 0 CHADMN CC(C)(NCCSc1ccccc1F)c1nccs1 ZINC000266742242 1126987363 /nfs/dbraw/zinc/98/73/63/1126987363.db2.gz NYPUOQBJLIKBAI-UHFFFAOYSA-N 0 1 296.436 3.899 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@H]2c2ccccc2F)on1 ZINC000266614702 1126985746 /nfs/dbraw/zinc/98/57/46/1126985746.db2.gz XKGOPNVDUSGCGJ-BZNIZROVSA-N 0 1 274.339 3.705 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1cccnc1Cl ZINC000266638696 1126985807 /nfs/dbraw/zinc/98/58/07/1126985807.db2.gz SMEAHUMHVJTUKK-LLVKDONJSA-N 0 1 272.845 3.699 20 0 CHADMN C[C@@H](NCc1cncn1C)c1ccc(SC(F)F)cc1 ZINC000267232916 1126995786 /nfs/dbraw/zinc/99/57/86/1126995786.db2.gz FWYCFEYMZMFMDV-SNVBAGLBSA-N 0 1 297.374 3.586 20 0 CHADMN CC[C@H](Cc1ccccc1)[N@@H+](CC)Cc1cc(C)n(C)n1 ZINC000486794022 1127003010 /nfs/dbraw/zinc/00/30/10/1127003010.db2.gz LCHPPEQYCKYTEI-GOSISDBHSA-N 0 1 285.435 3.572 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@](C)(CCc3ccccc3)C2)o1 ZINC000267660591 1127004083 /nfs/dbraw/zinc/00/40/83/1127004083.db2.gz ZHOCAYIIMOHHJK-KDOFPFPSSA-N 0 1 299.418 3.784 20 0 CHADMN Clc1ncccc1CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000267741897 1127005926 /nfs/dbraw/zinc/00/59/26/1127005926.db2.gz OIQQEAUWWKAUCC-QWHCGFSZSA-N 0 1 282.840 3.595 20 0 CHADMN Fc1ccc([C@@H]2CC[N@@H+](Cc3cnc(Cl)s3)C2)cc1 ZINC000268055253 1127010572 /nfs/dbraw/zinc/01/05/72/1127010572.db2.gz XPAOOAAQFNWVQD-LLVKDONJSA-N 0 1 296.798 3.925 20 0 CHADMN Fc1ccc([C@@H]2CCN(Cc3cnc(Cl)s3)C2)cc1 ZINC000268055253 1127010575 /nfs/dbraw/zinc/01/05/75/1127010575.db2.gz XPAOOAAQFNWVQD-LLVKDONJSA-N 0 1 296.798 3.925 20 0 CHADMN CCc1noc(C)c1CN(C)[C@H](C)c1ccccc1 ZINC000268113560 1127012132 /nfs/dbraw/zinc/01/21/32/1127012132.db2.gz DBOMTFKRUZAACO-GFCCVEGCSA-N 0 1 258.365 3.738 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)o1 ZINC000268447614 1127017443 /nfs/dbraw/zinc/01/74/43/1127017443.db2.gz FLBPJNHMIBJKSZ-GFCCVEGCSA-N 0 1 298.386 3.578 20 0 CHADMN CC(C)[C@@H](C)Sc1nc(Cc2ccccc2)n[nH]1 ZINC000487113827 1127018689 /nfs/dbraw/zinc/01/86/89/1127018689.db2.gz JMHZLKANJRULIP-LLVKDONJSA-N 0 1 261.394 3.532 20 0 CHADMN C[C@H](NCc1ccc(F)cn1)c1ccc(OC(F)F)cc1 ZINC000268597733 1127018920 /nfs/dbraw/zinc/01/89/20/1127018920.db2.gz HPXIVNUAZOCPOL-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1ccccn1 ZINC000268718496 1127021638 /nfs/dbraw/zinc/02/16/38/1127021638.db2.gz NOUDQUNHYBSJMB-DYVFJYSZSA-N 0 1 252.361 3.728 20 0 CHADMN Cc1ccc2nc(SCCc3cscn3)[nH]c2c1 ZINC000487177926 1127022171 /nfs/dbraw/zinc/02/21/71/1127022171.db2.gz RTROCAXOLYPEPW-UHFFFAOYSA-N 0 1 275.402 3.663 20 0 CHADMN Cc1cc(C)cc([C@H](C)NCc2cn3ccsc3n2)c1 ZINC000268817344 1127025220 /nfs/dbraw/zinc/02/52/20/1127025220.db2.gz QHIKIQLHFUKTTE-ZDUSSCGKSA-N 0 1 285.416 3.863 20 0 CHADMN CC(C)COc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000268811036 1127025481 /nfs/dbraw/zinc/02/54/81/1127025481.db2.gz FAGOTZXCORKZKY-KRWDZBQOSA-N 0 1 299.418 3.612 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2CCc3cc(F)ccc32)c(C)n1 ZINC000268811178 1127025550 /nfs/dbraw/zinc/02/55/50/1127025550.db2.gz AZNUISDVMOZWRH-PIGZYNQJSA-N 0 1 285.366 3.571 20 0 CHADMN Cc1nc(C(C)(C)NC/C=C\c2ccncc2)sc1C ZINC000487282911 1127029999 /nfs/dbraw/zinc/02/99/99/1127029999.db2.gz WUPVISSJGNHCIJ-WAYWQWQTSA-N 0 1 287.432 3.693 20 0 CHADMN C[C@@H](N[C@@H](C)c1noc(-c2ccccc2)n1)[C@H]1CC1(C)C ZINC000487316118 1127033365 /nfs/dbraw/zinc/03/33/65/1127033365.db2.gz BVRVDRJCZBBRQY-MBNYWOFBSA-N 0 1 285.391 3.822 20 0 CHADMN CC[C@@H](NCc1cn2cc(C)ccc2n1)c1ccccc1 ZINC000268944563 1127030240 /nfs/dbraw/zinc/03/02/40/1127030240.db2.gz WAZVYQWFFVDTPM-QGZVFWFLSA-N 0 1 279.387 3.884 20 0 CHADMN Cc1ccccc1CCCN1CCC(=O)CC12CCC2 ZINC000653763943 1127032879 /nfs/dbraw/zinc/03/28/79/1127032879.db2.gz IAYOKDHYVACSMS-UHFFFAOYSA-N 0 1 271.404 3.515 20 0 CHADMN Cc1cc([C@H](C)NCc2cccc3c2OCO3)cs1 ZINC000294234502 1129214180 /nfs/dbraw/zinc/21/41/80/1129214180.db2.gz OMPMIANXAHHYKZ-NSHDSACASA-N 0 1 275.373 3.636 20 0 CHADMN CCOc1c(Cl)cccc1CNCc1cncc(C)c1 ZINC000487551141 1127035625 /nfs/dbraw/zinc/03/56/25/1127035625.db2.gz NJAHXAAXLMFVTK-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN CC(C)c1ocnc1CN1CC[C@H](C)C(C)(C)C1 ZINC001320288983 1127043096 /nfs/dbraw/zinc/04/30/96/1127043096.db2.gz KEASNPVRYNBXPT-LBPRGKRZSA-N 0 1 250.386 3.666 20 0 CHADMN Cc1ccnc(NC[C@H](c2ccccc2)C(C)(C)CO)c1 ZINC000269530734 1127041772 /nfs/dbraw/zinc/04/17/72/1127041772.db2.gz YORHJLLXDFTCLV-MRXNPFEDSA-N 0 1 284.403 3.604 20 0 CHADMN COCCN(Cc1nc(C2CC2)cs1)[C@@H]1CCC[C@H]1C ZINC000487964609 1127051211 /nfs/dbraw/zinc/05/12/11/1127051211.db2.gz PSPSIFGYASJEGB-IUODEOHRSA-N 0 1 294.464 3.658 20 0 CHADMN COCCN(Cc1csc(C2CC2)n1)[C@H]1CCC[C@H]1C ZINC000488013271 1127051841 /nfs/dbraw/zinc/05/18/41/1127051841.db2.gz WAKJGNQIHCMVMW-DOMZBBRYSA-N 0 1 294.464 3.658 20 0 CHADMN COc1ccccc1[C@H]1CCN(Cc2ncc(C3CC3)o2)C1 ZINC000270461532 1127055680 /nfs/dbraw/zinc/05/56/80/1127055680.db2.gz AJXRAUTUINUGHF-AWEZNQCLSA-N 0 1 298.386 3.550 20 0 CHADMN CN(Cc1ncc(C2CC2)o1)[C@@H]1CCc2ccccc2C1 ZINC000270528493 1127057281 /nfs/dbraw/zinc/05/72/81/1127057281.db2.gz FBHZJVCUABWPSV-MRXNPFEDSA-N 0 1 282.387 3.541 20 0 CHADMN c1nc(C[N@H+]2CC[C@@H](c3ccccc3)C2)oc1C1CC1 ZINC000270674142 1127060549 /nfs/dbraw/zinc/06/05/49/1127060549.db2.gz XTPWJERKCSMIKQ-OAHLLOKOSA-N 0 1 268.360 3.542 20 0 CHADMN c1nc(CN2CC[C@@H](c3ccccc3)C2)oc1C1CC1 ZINC000270674142 1127060552 /nfs/dbraw/zinc/06/05/52/1127060552.db2.gz XTPWJERKCSMIKQ-OAHLLOKOSA-N 0 1 268.360 3.542 20 0 CHADMN C[C@@H]1CSCCN(Cc2c(F)cccc2Cl)C1 ZINC000488206057 1127062711 /nfs/dbraw/zinc/06/27/11/1127062711.db2.gz ZJQKLOHQPMRGLK-JTQLQIEISA-N 0 1 273.804 3.664 20 0 CHADMN Cc1ccc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)o1 ZINC000271023143 1127064996 /nfs/dbraw/zinc/06/49/96/1127064996.db2.gz BPBUEIFHYSLJAT-UHFFFAOYSA-N 0 1 293.370 3.754 20 0 CHADMN COc1ncccc1CN1CCC[C@H]1/C=C\c1ccccc1 ZINC000488246600 1127065197 /nfs/dbraw/zinc/06/51/97/1127065197.db2.gz IRWVXICWDGQBMS-JYBLJSLWSA-N 0 1 294.398 3.768 20 0 CHADMN Cc1ccoc1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000271021539 1127065172 /nfs/dbraw/zinc/06/51/72/1127065172.db2.gz BJALBGMFBIGACV-UHFFFAOYSA-N 0 1 293.370 3.754 20 0 CHADMN COc1ccsc1CN1CCC[C@H](C(F)(F)F)C1 ZINC000271030523 1127066228 /nfs/dbraw/zinc/06/62/28/1127066228.db2.gz YOVLGKKGBLPWOI-VIFPVBQESA-N 0 1 279.327 3.531 20 0 CHADMN CC[C@H](CN[C@@H](C)c1cscn1)Oc1cccc(F)c1 ZINC000271106310 1127068540 /nfs/dbraw/zinc/06/85/40/1127068540.db2.gz GFEYBDQQCOTZHP-WCQYABFASA-N 0 1 294.395 3.790 20 0 CHADMN Cc1cccc(OC[C@@H](C)N[C@H](C)c2cscn2)c1 ZINC000271119718 1127070124 /nfs/dbraw/zinc/07/01/24/1127070124.db2.gz JCIPVZWJCUGZRO-CHWSQXEVSA-N 0 1 276.405 3.570 20 0 CHADMN CCN(CCCN[C@@H](C)c1cscn1)c1ccccc1 ZINC000271195410 1127072369 /nfs/dbraw/zinc/07/23/69/1127072369.db2.gz YFYHYBLHKTUNEL-AWEZNQCLSA-N 0 1 289.448 3.710 20 0 CHADMN Cc1ccc2nc(CNCc3c(C)cccc3C)cn2c1 ZINC000271377063 1127077459 /nfs/dbraw/zinc/07/74/59/1127077459.db2.gz CPOROFGGQOZGNT-UHFFFAOYSA-N 0 1 279.387 3.549 20 0 CHADMN Cc1cscc1NS(=O)(=O)c1cc(C)c(C)s1 ZINC000271374796 1127078025 /nfs/dbraw/zinc/07/80/25/1127078025.db2.gz LXOLTRKNMRDCFI-UHFFFAOYSA-N 0 1 287.431 3.536 20 0 CHADMN CC(C)=CCCN(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000659858874 1127079078 /nfs/dbraw/zinc/07/90/78/1127079078.db2.gz UKBIRRQZQWFHEQ-UHFFFAOYSA-N 0 1 288.435 3.838 20 0 CHADMN Cc1cc(CN[C@@H](CC(C)C)c2ccccc2C)ncn1 ZINC000271416567 1127079345 /nfs/dbraw/zinc/07/93/45/1127079345.db2.gz BJJZZDJNWFJCPS-SFHVURJKSA-N 0 1 283.419 3.970 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H](C)c2cccc(Cl)c2)n[nH]1 ZINC000271411478 1127079355 /nfs/dbraw/zinc/07/93/55/1127079355.db2.gz ASIUFRRLCWFCKR-MNOVXSKESA-N 0 1 292.814 3.993 20 0 CHADMN CC[C@@H]1CN(C/C=C\c2ccc(F)c(F)c2)CCS1 ZINC000570248322 1127082615 /nfs/dbraw/zinc/08/26/15/1127082615.db2.gz OYNCFZPKXYXGBY-DHCBQETCSA-N 0 1 283.387 3.805 20 0 CHADMN CCCOc1ccc([C@@H](C)N[C@H]2CCCc3c[nH]nc32)cc1 ZINC000271449477 1127082816 /nfs/dbraw/zinc/08/28/16/1127082816.db2.gz DOBZPOWSNLJUBU-DYVFJYSZSA-N 0 1 299.418 3.927 20 0 CHADMN CCCOc1ccc([C@@H](C)N[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000271449476 1127082831 /nfs/dbraw/zinc/08/28/31/1127082831.db2.gz DOBZPOWSNLJUBU-CXAGYDPISA-N 0 1 299.418 3.927 20 0 CHADMN CCCC(=CC(=O)Nc1ccccc1-c1nnc[nH]1)CCC ZINC000271473490 1127084786 /nfs/dbraw/zinc/08/47/86/1127084786.db2.gz DBLDUVDVPQAZKI-UHFFFAOYSA-N 0 1 298.390 3.937 20 0 CHADMN CC[C@H](Cc1ccccc1)N(CC)Cc1nnc(C)s1 ZINC000271472160 1127085085 /nfs/dbraw/zinc/08/50/85/1127085085.db2.gz WBXLLPVTMXTYAV-OAHLLOKOSA-N 0 1 289.448 3.690 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1noc(-c2ccsc2)n1 ZINC000271500359 1127086491 /nfs/dbraw/zinc/08/64/91/1127086491.db2.gz IZYKICBMWYMOBE-PWSUYJOCSA-N 0 1 277.393 3.561 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c[nH]nc21)c1cccc(Cl)c1 ZINC000271502221 1127087562 /nfs/dbraw/zinc/08/75/62/1127087562.db2.gz MBXNDKLGOWUDTO-IINYFYTJSA-N 0 1 275.783 3.791 20 0 CHADMN COc1ccc2oc([C@H](C)N[C@H](C)c3cn[nH]c3)c(C)c2c1 ZINC000271519078 1127088551 /nfs/dbraw/zinc/08/85/51/1127088551.db2.gz OEMAAQRJANIKLC-NEPJUHHUSA-N 0 1 299.374 3.885 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(OCC(C)C)cc2)ncn1 ZINC000271521794 1127089051 /nfs/dbraw/zinc/08/90/51/1127089051.db2.gz ONESVZOVYRXIJX-OAHLLOKOSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1ccccc1OC(F)F ZINC000271538752 1127089960 /nfs/dbraw/zinc/08/99/60/1127089960.db2.gz YMJVQGDMIPGKKU-GFCCVEGCSA-N 0 1 292.329 3.842 20 0 CHADMN CCn1cc([C@@H](C)NCc2coc3ccccc23)cn1 ZINC000271545120 1127090447 /nfs/dbraw/zinc/09/04/47/1127090447.db2.gz ZAWXMUHRAVMQQE-GFCCVEGCSA-N 0 1 269.348 3.500 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H]2CCCc3ccccc32)n[nH]1 ZINC000271549277 1127090908 /nfs/dbraw/zinc/09/09/08/1127090908.db2.gz RYBJHDGXWWAZSC-IUODEOHRSA-N 0 1 284.407 3.656 20 0 CHADMN c1[nH]nc2c1CCC[C@H]2N[C@H]1CCSc2ccccc21 ZINC000271578554 1127092796 /nfs/dbraw/zinc/09/27/96/1127092796.db2.gz ZYZAMVBKFYTFRX-UONOGXRCSA-N 0 1 285.416 3.614 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H]1CCCc3c[nH]nc31)CCC2 ZINC000271564267 1127091653 /nfs/dbraw/zinc/09/16/53/1127091653.db2.gz XIJIUKHJLWEGIH-IRXDYDNUSA-N 0 1 281.403 3.763 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1OC(F)F ZINC000271564944 1127091739 /nfs/dbraw/zinc/09/17/39/1127091739.db2.gz UXMGRNNMWHCHTO-GXFFZTMASA-N 0 1 295.333 3.813 20 0 CHADMN CCCC(=CC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1)CCC ZINC000271565685 1127092260 /nfs/dbraw/zinc/09/22/60/1127092260.db2.gz QQVJGEIPAQPZKR-GFCCVEGCSA-N 0 1 292.427 3.632 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccc1OC(F)(F)F)c1cn[nH]c1 ZINC000271593565 1127093659 /nfs/dbraw/zinc/09/36/59/1127093659.db2.gz YQCKZMCTUDMMBH-ZJUUUORDSA-N 0 1 299.296 3.720 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@H](C)c2ccc(F)c(F)c2)n[nH]1 ZINC000271583645 1127094015 /nfs/dbraw/zinc/09/40/15/1127094015.db2.gz XFPQIJAQMOWYAP-NXEZZACHSA-N 0 1 294.349 3.618 20 0 CHADMN Cc1ccsc1[C@@H](C)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000271599096 1127094356 /nfs/dbraw/zinc/09/43/56/1127094356.db2.gz ZICGNFABMBBTJL-MNOVXSKESA-N 0 1 278.425 3.710 20 0 CHADMN N[C@H](C(=O)NC1CCCCCCC1)c1cccc(Cl)c1 ZINC000150688519 1127096758 /nfs/dbraw/zinc/09/67/58/1127096758.db2.gz ZSGJBSOJMXWLNW-HNNXBMFYSA-N 0 1 294.826 3.569 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CC=CC23CCCCC3)c1 ZINC000912480306 1127102113 /nfs/dbraw/zinc/10/21/13/1127102113.db2.gz GDHKQJAHAFNXCO-UHFFFAOYSA-N 0 1 295.386 3.586 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2cn(C)nc2C(F)F)c1 ZINC000274482648 1127119926 /nfs/dbraw/zinc/11/99/26/1127119926.db2.gz MWBIRCQQKQVUPU-GFCCVEGCSA-N 0 1 293.361 3.825 20 0 CHADMN CCCCC[C@H](NCc1ccc(OC)nn1)c1ccccc1 ZINC000283102656 1127122095 /nfs/dbraw/zinc/12/20/95/1127122095.db2.gz LWCSBXCPOPJYDC-KRWDZBQOSA-N 0 1 299.418 3.896 20 0 CHADMN CCN(Cc1c[nH]nc1-c1ccsc1)Cc1ccncc1 ZINC000348904743 1127133700 /nfs/dbraw/zinc/13/37/00/1127133700.db2.gz NLMODRHPUCHUPK-UHFFFAOYSA-N 0 1 298.415 3.555 20 0 CHADMN CCOc1cccc(CN2CCC[C@H]2c2cccnc2)c1 ZINC000348933297 1127135725 /nfs/dbraw/zinc/13/57/25/1127135725.db2.gz IEFIOAOKGJWRQT-SFHVURJKSA-N 0 1 282.387 3.817 20 0 CHADMN C[C@H]1CC[C@@H]1Nc1ccc(Cl)c(CN(C)C)c1 ZINC000798938277 1131063266 /nfs/dbraw/zinc/06/32/66/1131063266.db2.gz VXEQAQNEFBZIQE-HZMBPMFUSA-N 0 1 252.789 3.612 20 0 CHADMN OC[C@@H](N[C@H]1CCSc2ccccc21)c1ccsc1 ZINC000349314372 1127146611 /nfs/dbraw/zinc/14/66/11/1127146611.db2.gz QXXMRWZEASHMFU-UONOGXRCSA-N 0 1 291.441 3.608 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2cnc(Cl)cn2)c1 ZINC000799155989 1131072628 /nfs/dbraw/zinc/07/26/28/1131072628.db2.gz JXMXKTMQPZVKTM-GFCCVEGCSA-N 0 1 275.783 3.598 20 0 CHADMN C[C@H](N[C@H](CO)c1ccsc1)c1ccc(Cl)s1 ZINC000349344659 1127148409 /nfs/dbraw/zinc/14/84/09/1127148409.db2.gz STAHINWTALCFQL-WCBMZHEXSA-N 0 1 287.837 3.847 20 0 CHADMN CCc1ncc(CN[C@@H](CC2CC2)c2ccccc2)o1 ZINC000571036611 1127153173 /nfs/dbraw/zinc/15/31/73/1127153173.db2.gz WRUUSVWBNGPFCA-INIZCTEOSA-N 0 1 270.376 3.868 20 0 CHADMN Cn1ccc([C@H](NCC2(C)CC2)c2ccc(Cl)cc2)n1 ZINC000349521619 1127153453 /nfs/dbraw/zinc/15/34/53/1127153453.db2.gz SUPRSUZPCCHAAJ-OAHLLOKOSA-N 0 1 289.810 3.553 20 0 CHADMN CC(C)c1ncc(CN2CCC[C@@H]2c2cccn2C)s1 ZINC000349519857 1127153549 /nfs/dbraw/zinc/15/35/49/1127153549.db2.gz GIBJYHMIQKAVBG-OAHLLOKOSA-N 0 1 289.448 3.942 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2c2cccn2C)cc1F ZINC000349578900 1127154524 /nfs/dbraw/zinc/15/45/24/1127154524.db2.gz SLDHJCXOLYOUOW-QGZVFWFLSA-N 0 1 272.367 3.810 20 0 CHADMN Cc1cc(Cl)nc(CN[C@@H]2CCc3c2cccc3F)c1 ZINC000283654424 1127149854 /nfs/dbraw/zinc/14/98/54/1127149854.db2.gz XCUOVORIBUQVHS-OAHLLOKOSA-N 0 1 290.769 3.960 20 0 CHADMN Clc1cnc(CN[C@@H]2C[C@@H]2Cc2ccccc2)s1 ZINC000349619271 1127155664 /nfs/dbraw/zinc/15/56/64/1127155664.db2.gz ZICKCKKXCYINIE-NWDGAFQWSA-N 0 1 278.808 3.517 20 0 CHADMN Cc1ccc2[nH]c(CNCc3ccc(F)cn3)cc2c1C ZINC000349645173 1127156717 /nfs/dbraw/zinc/15/67/17/1127156717.db2.gz JYTRRXHZZJNGCW-UHFFFAOYSA-N 0 1 283.350 3.609 20 0 CHADMN CCc1ccc(CN2CC=C(c3ccc(O)cc3)CC2)o1 ZINC000349749577 1127159429 /nfs/dbraw/zinc/15/94/29/1127159429.db2.gz QYOSOMFVOSSXCZ-UHFFFAOYSA-N 0 1 283.371 3.837 20 0 CHADMN CC(C)OC1CC(NCc2c(F)cccc2Cl)C1 ZINC000349827920 1127163945 /nfs/dbraw/zinc/16/39/45/1127163945.db2.gz LGIXLNCOCXYFDC-UHFFFAOYSA-N 0 1 271.763 3.525 20 0 CHADMN Cc1nc2ccccn2c1CN1CCc2sccc2[C@@H]1C ZINC000350019075 1127170911 /nfs/dbraw/zinc/17/09/11/1127170911.db2.gz SVXBDPRTMMXBHT-ZDUSSCGKSA-N 0 1 297.427 3.824 20 0 CHADMN Cc1nc2ccccn2c1CN(Cc1cccs1)C1CC1 ZINC000349943434 1127167508 /nfs/dbraw/zinc/16/75/08/1127167508.db2.gz DTOFURXINLANOF-UHFFFAOYSA-N 0 1 297.427 3.869 20 0 CHADMN C[C@@H]1CCC[C@@H](CCN[C@H](CO)c2c(F)cccc2F)C1 ZINC001168381160 1127168283 /nfs/dbraw/zinc/16/82/83/1127168283.db2.gz BEUVEWGNEVDUEM-DVOMOZLQSA-N 0 1 297.389 3.804 20 0 CHADMN CC[C@@H]1CCN([C@@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000283999335 1127169150 /nfs/dbraw/zinc/16/91/50/1127169150.db2.gz GPTDNKNOUVGXNZ-QWHCGFSZSA-N 0 1 271.364 3.530 20 0 CHADMN Cc1nc(CN(C)C[C@H]2C[C@H]2c2ccccc2)cs1 ZINC000349992883 1127169785 /nfs/dbraw/zinc/16/97/85/1127169785.db2.gz VEGSRZAKHGOYEC-ZBFHGGJFSA-N 0 1 272.417 3.687 20 0 CHADMN Cc1cc([C@H](C)NCC(C)(C)c2cccc(F)c2)no1 ZINC000284091065 1127172815 /nfs/dbraw/zinc/17/28/15/1127172815.db2.gz MHRKQLVGACPIDO-LBPRGKRZSA-N 0 1 276.355 3.751 20 0 CHADMN Cc1nccc(CN(C)Cc2ccc3ccccc3c2)n1 ZINC000350298819 1127176517 /nfs/dbraw/zinc/17/65/17/1127176517.db2.gz FGOQSLKPVGGDEI-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN C[C@@H]1CN(CCSc2ccccc2F)CCC1(F)F ZINC000571811017 1127178150 /nfs/dbraw/zinc/17/81/50/1127178150.db2.gz QIQYFHRNDBRWFS-LLVKDONJSA-N 0 1 289.366 3.895 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CC=C(C(C)(C)C)CC2)[nH]1 ZINC000284213697 1127178503 /nfs/dbraw/zinc/17/85/03/1127178503.db2.gz AKUHEAISQVXLJY-UHFFFAOYSA-N 0 1 297.402 3.690 20 0 CHADMN C[C@@H](NCc1ccccc1OC1CCCC1)c1cn[nH]c1 ZINC000284199956 1127178582 /nfs/dbraw/zinc/17/85/82/1127178582.db2.gz SBLUYWLOEUDFRY-CYBMUJFWSA-N 0 1 285.391 3.582 20 0 CHADMN FC(F)(F)CO[C@@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000588177927 1127181364 /nfs/dbraw/zinc/18/13/64/1127181364.db2.gz VLKDKWAWASOFHH-SGJXGLNRSA-N 0 1 299.336 3.743 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1cnc(C(C)(C)C)nc1 ZINC000284426959 1127182714 /nfs/dbraw/zinc/18/27/14/1127182714.db2.gz RROQGZZANCATCL-KRWDZBQOSA-N 0 1 295.430 3.860 20 0 CHADMN Fc1ccc(CN(CCc2cscn2)C2CC2)c(F)c1 ZINC000284430314 1127182739 /nfs/dbraw/zinc/18/27/39/1127182739.db2.gz YMRLSDJLPDXEEB-UHFFFAOYSA-N 0 1 294.370 3.628 20 0 CHADMN COc1ncc([C@H](C)NCc2cccs2)cc1Cl ZINC000284417127 1127182840 /nfs/dbraw/zinc/18/28/40/1127182840.db2.gz QNGCHQUACQIINY-VIFPVBQESA-N 0 1 282.796 3.656 20 0 CHADMN Cc1ccc(CN2CCC(Oc3ccc(C)cc3)CC2)o1 ZINC000351026710 1127183606 /nfs/dbraw/zinc/18/36/06/1127183606.db2.gz GBBZBSMEBKLZCB-UHFFFAOYSA-N 0 1 285.387 3.940 20 0 CHADMN Cc1cc(CN2CCOC[C@@H]2C2CCC2)c2ccccc2n1 ZINC000646061118 1127184729 /nfs/dbraw/zinc/18/47/29/1127184729.db2.gz GXVSKPKMGGTERX-LJQANCHMSA-N 0 1 296.414 3.544 20 0 CHADMN CC(C)N(C(=O)c1ccc2cncn2c1)C1CCCCC1 ZINC000284534795 1127188912 /nfs/dbraw/zinc/18/89/12/1127188912.db2.gz DCUJKYXIVMOECR-UHFFFAOYSA-N 0 1 285.391 3.518 20 0 CHADMN Cc1ccccc1Cc1nnc(CN(C(C)C)C2CCC2)o1 ZINC000351471158 1127189314 /nfs/dbraw/zinc/18/93/14/1127189314.db2.gz IDIAEECIIBNKKC-UHFFFAOYSA-N 0 1 299.418 3.732 20 0 CHADMN CCCCCN(Cc1cn(-c2ccccc2)nn1)C(C)C ZINC000588671207 1127189428 /nfs/dbraw/zinc/18/94/28/1127189428.db2.gz XDPLJCDFKMQYJW-UHFFFAOYSA-N 0 1 286.423 3.668 20 0 CHADMN Cc1ncncc1[C@@H](C)NCc1cccc(C(F)(F)F)c1 ZINC000572060324 1127189871 /nfs/dbraw/zinc/18/98/71/1127189871.db2.gz MLQYNQHXYMVRCK-SNVBAGLBSA-N 0 1 295.308 3.655 20 0 CHADMN CC(C)Cn1ccnc1NCc1ccc(F)c2cccnc12 ZINC000351551288 1127193335 /nfs/dbraw/zinc/19/33/35/1127193335.db2.gz UQXWGVOTJZCMEO-UHFFFAOYSA-N 0 1 298.365 3.839 20 0 CHADMN CCC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])c(C)o1 ZINC000572127796 1127194013 /nfs/dbraw/zinc/19/40/13/1127194013.db2.gz UCJUISJTDIYFHV-CQSZACIVSA-N 0 1 279.380 3.687 20 0 CHADMN Clc1ccc(CNc2nccn2-c2ccccc2)o1 ZINC000351568059 1127194077 /nfs/dbraw/zinc/19/40/77/1127194077.db2.gz KQWVUHKRUKXFOA-UHFFFAOYSA-N 0 1 273.723 3.731 20 0 CHADMN CN(Cc1cn2ccccc2n1)[C@@H]1CCCc2ccccc21 ZINC000588780077 1127194868 /nfs/dbraw/zinc/19/48/68/1127194868.db2.gz WJDYAVHYZKUEJJ-GOSISDBHSA-N 0 1 291.398 3.844 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2scnc2C)c1 ZINC000351573521 1127195218 /nfs/dbraw/zinc/19/52/18/1127195218.db2.gz KBNMBCXQHLJRBF-LLVKDONJSA-N 0 1 276.405 3.701 20 0 CHADMN CSCc1cnc(CN2C[C@@H]3CCCC[C@H]3C2)s1 ZINC000351601530 1127197527 /nfs/dbraw/zinc/19/75/27/1127197527.db2.gz IAJUCBGDLRUTEW-RYUDHWBXSA-N 0 1 282.478 3.628 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2cc(C(C)(C)C)on2)C1 ZINC000572325665 1127198846 /nfs/dbraw/zinc/19/88/46/1127198846.db2.gz LWMFPFXVKLXJQF-AAEUAGOBSA-N 0 1 250.386 3.593 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N(CC)[C@@H](C)C(C)C)o1 ZINC000588792614 1127201146 /nfs/dbraw/zinc/20/11/46/1127201146.db2.gz KAKXAQYZHBHTBP-AWEZNQCLSA-N 0 1 294.439 3.628 20 0 CHADMN CN(Cc1coc(-c2ccccc2)n1)CC(C)(C)C ZINC000588901245 1127204311 /nfs/dbraw/zinc/20/43/11/1127204311.db2.gz AKYFGYNMOBUDDH-UHFFFAOYSA-N 0 1 258.365 3.820 20 0 CHADMN CCc1ccc(NC(=O)[C@H](C)N2CCC(C)(C)CC2)cc1 ZINC000588904210 1127204385 /nfs/dbraw/zinc/20/43/85/1127204385.db2.gz WKTXHBUJAZFCMT-AWEZNQCLSA-N 0 1 288.435 3.698 20 0 CHADMN C[C@@H]1CCC[C@H](N[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000284816707 1127207135 /nfs/dbraw/zinc/20/71/35/1127207135.db2.gz LJFJTWKSIDOBGX-VNQPRFMTSA-N 0 1 269.392 3.667 20 0 CHADMN Cc1ccc(-c2csc(CN3CCCC3)n2)cc1 ZINC000351855621 1127211875 /nfs/dbraw/zinc/21/18/75/1127211875.db2.gz IOAVDYIRUAHKGW-UHFFFAOYSA-N 0 1 258.390 3.714 20 0 CHADMN Clc1cc2c(c(CN3CCCC4(CC4)C3)c1)OCC2 ZINC000351877686 1127212756 /nfs/dbraw/zinc/21/27/56/1127212756.db2.gz GOKJOCMLTUZELS-UHFFFAOYSA-N 0 1 277.795 3.651 20 0 CHADMN CCC1(CC)[C@H](N(C)Cc2ccncc2Cl)C[C@@H]1OC ZINC000351879355 1127212915 /nfs/dbraw/zinc/21/29/15/1127212915.db2.gz JRKRVQAHOSHAGQ-CABCVRRESA-N 0 1 296.842 3.761 20 0 CHADMN Cc1ncc(CN2C[C@H](C)C[C@@H]2c2cccc(F)c2)cn1 ZINC000352007723 1127215731 /nfs/dbraw/zinc/21/57/31/1127215731.db2.gz YLROKLHVZWYUMH-SJKOYZFVSA-N 0 1 285.366 3.507 20 0 CHADMN CCn1nc(CNc2nccn2CC(C)C)c2ccccc21 ZINC000285177873 1127218761 /nfs/dbraw/zinc/21/87/61/1127218761.db2.gz MQIBLHVGXYWBIN-UHFFFAOYSA-N 0 1 297.406 3.521 20 0 CHADMN Cc1cccc(C2=CC[N@@H+](CCCCCC(=O)[O-])CC2)c1 ZINC000572609093 1127221313 /nfs/dbraw/zinc/22/13/13/1127221313.db2.gz AIXOITXTEPHNPS-UHFFFAOYSA-N 0 1 287.403 3.729 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000572601302 1127221322 /nfs/dbraw/zinc/22/13/22/1127221322.db2.gz DIJHEKBUMZVYAP-SCVCMEIPSA-N 0 1 299.773 3.583 20 0 CHADMN CCCOc1cccc(CCN[C@@H](C)c2cc(C)on2)c1 ZINC000285358657 1127224034 /nfs/dbraw/zinc/22/40/34/1127224034.db2.gz VMZKADRCBCKPPP-AWEZNQCLSA-N 0 1 288.391 3.665 20 0 CHADMN C[C@@H](F)CCN1CCc2ccc(Br)cc2C1 ZINC000352361409 1127226953 /nfs/dbraw/zinc/22/69/53/1127226953.db2.gz KIFQQHBEBAKWPQ-SNVBAGLBSA-N 0 1 286.188 3.555 20 0 CHADMN CCOC1CC2(C1)CCN([C@@H](C)c1c(F)cccc1F)C2 ZINC000285431470 1127227780 /nfs/dbraw/zinc/22/77/80/1127227780.db2.gz HJTFPNGPBMXVTM-POZPTJLLSA-N 0 1 295.373 3.917 20 0 CHADMN CO[C@@H]1CN(Cc2ccccc2C(F)(F)F)CC[C@@H]1C ZINC000352401638 1127229392 /nfs/dbraw/zinc/22/93/92/1127229392.db2.gz JAHWAXIBJLXLGW-SMDDNHRTSA-N 0 1 287.325 3.562 20 0 CHADMN Cc1cccc(CN2C[C@H](c3ccccc3)OC[C@H]2C)c1 ZINC000589605595 1127230121 /nfs/dbraw/zinc/23/01/21/1127230121.db2.gz WIIAYIKEBYBFQR-VQIMIIECSA-N 0 1 281.399 3.957 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccccc2C(F)(F)F)[nH]n1 ZINC000589644556 1127231731 /nfs/dbraw/zinc/23/17/31/1127231731.db2.gz SYPABEAMHGZPDA-JTQLQIEISA-N 0 1 283.297 3.588 20 0 CHADMN CCOC1CC2(C1)CCN(Cc1c(F)cccc1Cl)C2 ZINC000285484777 1127231874 /nfs/dbraw/zinc/23/18/74/1127231874.db2.gz LXRQNMHQFABTQF-UHFFFAOYSA-N 0 1 297.801 3.870 20 0 CHADMN Cc1occc1CNCc1cccc(OCC(C)C)c1 ZINC000352435152 1127232025 /nfs/dbraw/zinc/23/20/25/1127232025.db2.gz IXXMLRQKNZWRDI-UHFFFAOYSA-N 0 1 273.376 3.913 20 0 CHADMN CCOC1CC2(C1)CCN(Cc1ccc(F)c(Cl)c1)C2 ZINC000285484634 1127232432 /nfs/dbraw/zinc/23/24/32/1127232432.db2.gz LWTSAXNYFBHNKS-UHFFFAOYSA-N 0 1 297.801 3.870 20 0 CHADMN CCCn1cc(CNCc2ccc3sccc3c2)cn1 ZINC000352452454 1127234231 /nfs/dbraw/zinc/23/42/31/1127234231.db2.gz GLEDZNOITRAMAU-UHFFFAOYSA-N 0 1 285.416 3.798 20 0 CHADMN CCc1ccc(CNC(C)(C)c2c(C)noc2C)cc1 ZINC000285520217 1127234587 /nfs/dbraw/zinc/23/45/87/1127234587.db2.gz OVHRTGMPHHQAAG-UHFFFAOYSA-N 0 1 272.392 3.879 20 0 CHADMN COc1cccc(CNCc2ccc3sccc3c2)n1 ZINC000352480065 1127235625 /nfs/dbraw/zinc/23/56/25/1127235625.db2.gz HXFMCVMJHHDSFT-UHFFFAOYSA-N 0 1 284.384 3.595 20 0 CHADMN C[C@H](CCc1ccco1)N[C@@H](C)c1c(F)cncc1F ZINC000285712135 1127241430 /nfs/dbraw/zinc/24/14/30/1127241430.db2.gz POYOPCFAPMUAJV-MNOVXSKESA-N 0 1 280.318 3.625 20 0 CHADMN C[C@H](NC1CC(c2ccccc2)C1)c1c(F)cncc1F ZINC000285826999 1127244379 /nfs/dbraw/zinc/24/43/79/1127244379.db2.gz XMIYOCNAXVEKFL-XGNXJENSSA-N 0 1 288.341 3.957 20 0 CHADMN CC(C)CCc1nc(CN[C@H]2CSC[C@@H]2C)cs1 ZINC000352800215 1127245663 /nfs/dbraw/zinc/24/56/63/1127245663.db2.gz HBRZFINCJAAOFU-AAEUAGOBSA-N 0 1 284.494 3.573 20 0 CHADMN C[C@@H](Cc1cnc[nH]1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001135886468 1131155817 /nfs/dbraw/zinc/15/58/17/1131155817.db2.gz ATTYFHFMEIJLAC-QMMMGPOBSA-N 0 1 298.173 3.534 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@@H]2CCc3cc(F)ccc32)c1 ZINC000286087247 1127258164 /nfs/dbraw/zinc/25/81/64/1127258164.db2.gz MOZFOCUEHNWXGJ-MLGOLLRUSA-N 0 1 270.351 3.867 20 0 CHADMN CSc1cc(C)ccc1NC(=O)c1cc(C(F)F)n[nH]1 ZINC001299452942 1127261102 /nfs/dbraw/zinc/26/11/02/1127261102.db2.gz NDKCGJGPYLIOBN-UHFFFAOYSA-N 0 1 297.330 3.630 20 0 CHADMN Cc1ccc(C(C)(C)NCc2cc3cccnc3o2)cn1 ZINC000572929961 1127261479 /nfs/dbraw/zinc/26/14/79/1127261479.db2.gz JQIGIKLHIWPLNY-UHFFFAOYSA-N 0 1 281.359 3.556 20 0 CHADMN c1ccc2c(c1)n[nH]c2CNc1ccc2c(c1)CCC2 ZINC000590611998 1127265002 /nfs/dbraw/zinc/26/50/02/1127265002.db2.gz RUHPJORBVZMSLR-UHFFFAOYSA-N 0 1 263.344 3.664 20 0 CHADMN Cc1ccnc([C@H](C)N[C@H]2CCCOc3ccccc32)c1 ZINC000286356216 1127266070 /nfs/dbraw/zinc/26/60/70/1127266070.db2.gz ZAHMAHSDGAEIRP-HOCLYGCPSA-N 0 1 282.387 3.955 20 0 CHADMN Fc1ccc(CN2CCC[C@H]2C2CC2)c(Br)c1 ZINC000590789054 1127272910 /nfs/dbraw/zinc/27/29/10/1127272910.db2.gz OJVILAWQSANWDG-AWEZNQCLSA-N 0 1 298.199 3.963 20 0 CHADMN Cc1cccn2c(CN3Cc4ccccc4C[C@H]3C)cnc12 ZINC000353663682 1127273142 /nfs/dbraw/zinc/27/31/42/1127273142.db2.gz FETWUFGDJOAONP-OAHLLOKOSA-N 0 1 291.398 3.590 20 0 CHADMN CC(C)OCCCN(C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000353709495 1127273229 /nfs/dbraw/zinc/27/32/29/1127273229.db2.gz JJBRGKPNTRLGDA-CYBMUJFWSA-N 0 1 296.480 3.515 20 0 CHADMN CCCCc1nc(CN2CCC[C@H]2C2CC2)cs1 ZINC000590788264 1127273419 /nfs/dbraw/zinc/27/34/19/1127273419.db2.gz XXOCLOYYHJNYJW-AWEZNQCLSA-N 0 1 264.438 3.860 20 0 CHADMN CCN(C)[C@H](C(=O)N[C@H](C)CCC(C)C)c1ccccc1 ZINC000590806840 1127273577 /nfs/dbraw/zinc/27/35/77/1127273577.db2.gz JXDRVEDFACUVDW-WBVHZDCISA-N 0 1 290.451 3.620 20 0 CHADMN CC(C)CCC[C@H](C)NCc1nccc(C(F)F)n1 ZINC000286850982 1127274584 /nfs/dbraw/zinc/27/45/84/1127274584.db2.gz AKPZIHYYCGHHFO-NSHDSACASA-N 0 1 271.355 3.719 20 0 CHADMN C[C@@]1(F)CCC[N@@H+](Cc2cc(Cl)c([O-])cc2F)CC1 ZINC001238142890 1131174621 /nfs/dbraw/zinc/17/46/21/1131174621.db2.gz IZPPFOORRGDKRW-CQSZACIVSA-N 0 1 289.753 3.899 20 0 CHADMN CC[C@@H](N[C@H]1CCc2sc(Cl)cc21)c1cnn(C)c1 ZINC000353563470 1127270571 /nfs/dbraw/zinc/27/05/71/1127270571.db2.gz FCNQGQWASJIBAX-NEPJUHHUSA-N 0 1 295.839 3.863 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](C)c2cccs2)c(F)cn1 ZINC000286903947 1127276078 /nfs/dbraw/zinc/27/60/78/1127276078.db2.gz JSOUKJWRIGJORF-ZJUUUORDSA-N 0 1 280.368 3.703 20 0 CHADMN Cc1ncccc1CN[C@@H](C)c1ccccc1OC(F)F ZINC000590880806 1127277027 /nfs/dbraw/zinc/27/70/27/1127277027.db2.gz IOHRKOMPKDPEDJ-LBPRGKRZSA-N 0 1 292.329 3.842 20 0 CHADMN CCC1(C(=O)Nc2cc(F)cc(Cl)c2O)CCC1 ZINC000353899676 1127277332 /nfs/dbraw/zinc/27/73/32/1127277332.db2.gz VUXJDQJALLKPQH-UHFFFAOYSA-N 0 1 271.719 3.704 20 0 CHADMN C[C@@H]1N(Cc2cccc(-c3ccncc3)c2)CCOC1(C)C ZINC000353900136 1127277386 /nfs/dbraw/zinc/27/73/86/1127277386.db2.gz NUYUEMCAEIOTQI-HNNXBMFYSA-N 0 1 296.414 3.748 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](c2nccn2C)C2CC2)c(C)s1 ZINC000353924272 1127278985 /nfs/dbraw/zinc/27/89/85/1127278985.db2.gz PXCIENPHTRIKLJ-ABAIWWIYSA-N 0 1 289.448 3.900 20 0 CHADMN CCc1cccc(Cl)c1CN(C)[C@H]1CCCOC1 ZINC000573018611 1127280250 /nfs/dbraw/zinc/28/02/50/1127280250.db2.gz XTEPKBSZOHYDSN-ZDUSSCGKSA-N 0 1 267.800 3.513 20 0 CHADMN C[C@H](N[C@@H]1CC(C)(C)CCc2ccccc21)c1nncn1C ZINC000286980735 1127279570 /nfs/dbraw/zinc/27/95/70/1127279570.db2.gz PWBLSMDQNQNAKQ-XJKSGUPXSA-N 0 1 298.434 3.570 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](c2nccn2C)C2CC2)s1 ZINC000353933171 1127280429 /nfs/dbraw/zinc/28/04/29/1127280429.db2.gz VBPQBXHBLPLBIH-XHDPSFHLSA-N 0 1 289.448 3.846 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](c2nccn2C)C2CC2)s1 ZINC000353933169 1127280439 /nfs/dbraw/zinc/28/04/39/1127280439.db2.gz VBPQBXHBLPLBIH-IAQYHMDHSA-N 0 1 289.448 3.846 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)cn1)c1ccc2n[nH]cc2c1 ZINC000353995366 1127284330 /nfs/dbraw/zinc/28/43/30/1127284330.db2.gz HXJORBBNJLVZAG-QWRGUYRKSA-N 0 1 284.338 3.509 20 0 CHADMN Cc1nocc1C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000354009713 1127284963 /nfs/dbraw/zinc/28/49/63/1127284963.db2.gz KKHPNEVONLHRSD-ZDUSSCGKSA-N 0 1 276.767 3.626 20 0 CHADMN Cc1nocc1CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000354009713 1127284965 /nfs/dbraw/zinc/28/49/65/1127284965.db2.gz KKHPNEVONLHRSD-ZDUSSCGKSA-N 0 1 276.767 3.626 20 0 CHADMN Cc1cccc2ncc(CN3C[C@@H](C)[C@H]3c3ccccc3)n21 ZINC000354025487 1127286629 /nfs/dbraw/zinc/28/66/29/1127286629.db2.gz FBINNLHEEPUJOF-KUHUBIRLSA-N 0 1 291.398 3.836 20 0 CHADMN CC(C)[C@@H]1CCC[C@@H](NCc2nccc(C(F)F)n2)C1 ZINC000287108767 1127288796 /nfs/dbraw/zinc/28/87/96/1127288796.db2.gz QLTWRKRSSLIKLH-VXGBXAGGSA-N 0 1 283.366 3.719 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1C ZINC000157987304 1127293962 /nfs/dbraw/zinc/29/39/62/1127293962.db2.gz ZJVGCKREIUYUNQ-INIZCTEOSA-N 0 1 289.419 3.626 20 0 CHADMN CC[N@@H+](Cc1cc(C(F)(F)F)ccc1Cl)[C@@H](C)CO ZINC000354411692 1127307009 /nfs/dbraw/zinc/30/70/09/1127307009.db2.gz AMBCJPWHLCZPPB-VIFPVBQESA-N 0 1 295.732 3.562 20 0 CHADMN CCN(Cc1cc(C(F)(F)F)ccc1Cl)[C@@H](C)CO ZINC000354411692 1127307012 /nfs/dbraw/zinc/30/70/12/1127307012.db2.gz AMBCJPWHLCZPPB-VIFPVBQESA-N 0 1 295.732 3.562 20 0 CHADMN COc1ccncc1CN[C@@H](C)c1ccc(SC)cc1 ZINC000287642070 1127311369 /nfs/dbraw/zinc/31/13/69/1127311369.db2.gz GFULDPRZOSBHAG-LBPRGKRZSA-N 0 1 288.416 3.663 20 0 CHADMN COc1ccncc1CN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000287692550 1127312971 /nfs/dbraw/zinc/31/29/71/1127312971.db2.gz IUCORLCDOHSQFA-CQSZACIVSA-N 0 1 296.414 3.820 20 0 CHADMN COc1ccccc1C[C@H](C)NCc1ncc(Cl)s1 ZINC000225316850 1127313969 /nfs/dbraw/zinc/31/39/69/1127313969.db2.gz MJAISVCJCUGMEH-JTQLQIEISA-N 0 1 296.823 3.526 20 0 CHADMN CCCc1ccc(CNCc2cn3cc(C)ccc3n2)cc1 ZINC000591708033 1127314416 /nfs/dbraw/zinc/31/44/16/1127314416.db2.gz GJHRHSKWVALYKR-UHFFFAOYSA-N 0 1 293.414 3.885 20 0 CHADMN CCCc1ccc(CNCc2cn3ccc(C)cc3n2)cc1 ZINC000591708658 1127314423 /nfs/dbraw/zinc/31/44/23/1127314423.db2.gz KQSJAKHLFUSNIO-UHFFFAOYSA-N 0 1 293.414 3.885 20 0 CHADMN COc1ccncc1CN[C@@H](C)c1cc(C)cc(C)c1 ZINC000287964051 1127315195 /nfs/dbraw/zinc/31/51/95/1127315195.db2.gz YVOJWKMGGFGAFQ-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN C[C@H](Nc1ccc2nn[nH]c2c1)[C@@H]1C[C@H]1c1cccs1 ZINC000669421146 1127320305 /nfs/dbraw/zinc/32/03/05/1127320305.db2.gz RKOCIOVBXLWHLO-ZMLRMANQSA-N 0 1 284.388 3.624 20 0 CHADMN C[C@H](Nc1ccc2n[nH]nc2c1)[C@@H]1C[C@H]1c1cccs1 ZINC000669421146 1127320308 /nfs/dbraw/zinc/32/03/08/1127320308.db2.gz RKOCIOVBXLWHLO-ZMLRMANQSA-N 0 1 284.388 3.624 20 0 CHADMN CCC1(CC)CCN(Cc2nccc(OC)c2OC)CC1 ZINC000355255841 1127328818 /nfs/dbraw/zinc/32/88/18/1127328818.db2.gz GAJSGKJBGXCZAF-UHFFFAOYSA-N 0 1 292.423 3.501 20 0 CHADMN C[C@H](O)CCCN1CC=C(c2ccccc2Cl)CC1 ZINC000355256019 1127329278 /nfs/dbraw/zinc/32/92/78/1127329278.db2.gz GSVDETKOWIVOQZ-ZDUSSCGKSA-N 0 1 279.811 3.590 20 0 CHADMN C[C@H](c1cccs1)N(C)CC[S@@](=O)c1ccccc1 ZINC000355268453 1127329821 /nfs/dbraw/zinc/32/98/21/1127329821.db2.gz TXKYYBRKKKGEJD-BFUOFWGJSA-N 0 1 293.457 3.549 20 0 CHADMN C[C@H](c1cccs1)N(C)CC[S@](=O)c1ccccc1 ZINC000355268458 1127329929 /nfs/dbraw/zinc/32/99/29/1127329929.db2.gz TXKYYBRKKKGEJD-YJYMSZOUSA-N 0 1 293.457 3.549 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000573862782 1127331740 /nfs/dbraw/zinc/33/17/40/1127331740.db2.gz TUVRGPGKUJUWTC-QWHCGFSZSA-N 0 1 281.359 3.943 20 0 CHADMN CCCCCC(CCCCC)NCc1nnc(C)o1 ZINC000718883628 1127342749 /nfs/dbraw/zinc/34/27/49/1127342749.db2.gz NURAXNGFTIFLAQ-UHFFFAOYSA-N 0 1 267.417 3.997 20 0 CHADMN C[C@@H](CNCc1ccc([C@H]2C[C@H]2C)o1)C(F)(F)F ZINC000479607822 1127345090 /nfs/dbraw/zinc/34/50/90/1127345090.db2.gz CPJFHGHFLPBXJE-YWVKMMECSA-N 0 1 261.287 3.691 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000592442537 1127348833 /nfs/dbraw/zinc/34/88/33/1127348833.db2.gz GTYKEBQTYNIJPP-STQMWFEESA-N 0 1 299.418 3.734 20 0 CHADMN CN(Cc1nccn1-c1ccccc1)[C@H]1CCC(C)(C)C1 ZINC000355589520 1127351202 /nfs/dbraw/zinc/35/12/02/1127351202.db2.gz ZBBGNUJIZWMILO-INIZCTEOSA-N 0 1 283.419 3.883 20 0 CHADMN c1sc(C2CC2)nc1CN(CC1CC1)C1CCC1 ZINC000355685579 1127358780 /nfs/dbraw/zinc/35/87/80/1127358780.db2.gz XITJMKNPTQPKJS-UHFFFAOYSA-N 0 1 262.422 3.785 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC[C@@]2(CCCOC2)C1 ZINC000355743257 1127362455 /nfs/dbraw/zinc/36/24/55/1127362455.db2.gz MBORGYAJFOONDA-CXAGYDPISA-N 0 1 295.373 3.918 20 0 CHADMN CCCC[C@@H](CC)CNC(=O)c1cc2[nH]cnc2cc1F ZINC000574184196 1127371765 /nfs/dbraw/zinc/37/17/65/1127371765.db2.gz SZVASSXZZQTEJJ-LLVKDONJSA-N 0 1 291.370 3.648 20 0 CHADMN Cc1cccc2nc(CN[C@H]3C[C@H](C)c4ccccc43)cn21 ZINC000289169783 1127375903 /nfs/dbraw/zinc/37/59/03/1127375903.db2.gz HOTXTKBQAAKVEQ-UGSOOPFHSA-N 0 1 291.398 3.981 20 0 CHADMN CC(C)c1ccc(CNCc2cnc([C@H](C)O)s2)cc1 ZINC000289282947 1127380014 /nfs/dbraw/zinc/38/00/14/1127380014.db2.gz OUGRYSYUJZICPP-LBPRGKRZSA-N 0 1 290.432 3.610 20 0 CHADMN CCc1ncc(CN2CCC=C(c3ccco3)C2)s1 ZINC000289353160 1127382387 /nfs/dbraw/zinc/38/23/87/1127382387.db2.gz JKDDSSNTSMHTFH-UHFFFAOYSA-N 0 1 274.389 3.588 20 0 CHADMN CCC[C@H](NCc1cnc([C@H](C)O)s1)c1ccccc1 ZINC000289337134 1127382037 /nfs/dbraw/zinc/38/20/37/1127382037.db2.gz VROTVKOGEJRSIK-WFASDCNBSA-N 0 1 290.432 3.827 20 0 CHADMN COc1cccc(C[N@H+]2CCCc3sccc3C2)c1 ZINC000593440017 1127384963 /nfs/dbraw/zinc/38/49/63/1127384963.db2.gz JQODEJQPDKAYTG-UHFFFAOYSA-N 0 1 273.401 3.705 20 0 CHADMN C[C@H](c1noc(-c2cc(-c3ccccc3)n[nH]2)n1)C1CC1 ZINC000357592563 1127391344 /nfs/dbraw/zinc/39/13/44/1127391344.db2.gz JAGFNSDXKMMLFW-JTQLQIEISA-N 0 1 280.331 3.640 20 0 CHADMN C[C@@H](NCC(C)(C)Oc1ccccc1)c1nccs1 ZINC000357803060 1127394230 /nfs/dbraw/zinc/39/42/30/1127394230.db2.gz ZVCDJDRQNURWOH-GFCCVEGCSA-N 0 1 276.405 3.651 20 0 CHADMN CN(C(=O)c1cc(-c2ccccc2)[nH]n1)[C@H]1CCC(C)(C)C1 ZINC000358046864 1127398501 /nfs/dbraw/zinc/39/85/01/1127398501.db2.gz JSOHZNHAVLNVHP-AWEZNQCLSA-N 0 1 297.402 3.727 20 0 CHADMN CC[C@H](NCc1c[nH]nc1C)c1cc(Cl)ccc1OC ZINC000358163165 1127405749 /nfs/dbraw/zinc/40/57/49/1127405749.db2.gz YTZSAJYBSGIKKO-AWEZNQCLSA-N 0 1 293.798 3.621 20 0 CHADMN Cc1n[nH]cc1CN[C@H](C)c1ccc(-c2ccccc2)o1 ZINC000358148867 1127404324 /nfs/dbraw/zinc/40/43/24/1127404324.db2.gz FFGGUFLMMPLKFD-CYBMUJFWSA-N 0 1 281.359 3.829 20 0 CHADMN CC[C@H](N[C@H](C)c1cn[nH]c1)c1cc(Cl)ccc1OC ZINC000358372602 1127418296 /nfs/dbraw/zinc/41/82/96/1127418296.db2.gz WOEADDVSJLBXKD-YGRLFVJLSA-N 0 1 293.798 3.874 20 0 CHADMN C[C@@H]1CCCCCN1Cc1cc(-c2ccco2)on1 ZINC000358409562 1127419669 /nfs/dbraw/zinc/41/96/69/1127419669.db2.gz IIFIZPYHXVFHKP-GFCCVEGCSA-N 0 1 260.337 3.699 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccncc2CC)o1 ZINC000358501565 1127424497 /nfs/dbraw/zinc/42/44/97/1127424497.db2.gz AOBJLGXVZMJGOQ-GFCCVEGCSA-N 0 1 258.365 3.650 20 0 CHADMN CCCCn1cc(CNCc2ccc(F)c(F)c2)c(C)n1 ZINC000358505473 1127424757 /nfs/dbraw/zinc/42/47/57/1127424757.db2.gz IMIZNDFDLQFGCG-UHFFFAOYSA-N 0 1 293.361 3.560 20 0 CHADMN Cc1nnc(C[N@@H+]2CCCC[C@H]2CCC(C)C)s1 ZINC000358614830 1127428574 /nfs/dbraw/zinc/42/85/74/1127428574.db2.gz MHMOFJKFTAPFPB-ZDUSSCGKSA-N 0 1 267.442 3.637 20 0 CHADMN Cc1nnc(CN2CCCC[C@H]2CCC(C)C)s1 ZINC000358614830 1127428576 /nfs/dbraw/zinc/42/85/76/1127428576.db2.gz MHMOFJKFTAPFPB-ZDUSSCGKSA-N 0 1 267.442 3.637 20 0 CHADMN CCCn1c(C)cc(C(=O)CN(C)C2CCCC2)c1C ZINC000358733118 1127432612 /nfs/dbraw/zinc/43/26/12/1127432612.db2.gz AVHJPVNJZQIHNK-UHFFFAOYSA-N 0 1 276.424 3.572 20 0 CHADMN Cc1nc2ccc(CSCC(=O)C(C)(C)C)cc2[nH]1 ZINC000358852544 1127436580 /nfs/dbraw/zinc/43/65/80/1127436580.db2.gz JPPOYNAFTJXERK-UHFFFAOYSA-N 0 1 276.405 3.720 20 0 CHADMN CCc1nc([C@H](C)S[C@H](C)c2ccccc2OC)n[nH]1 ZINC000594890002 1127436867 /nfs/dbraw/zinc/43/68/67/1127436867.db2.gz NMENRVSTFNYKKS-MNOVXSKESA-N 0 1 291.420 3.931 20 0 CHADMN CC(C)C[C@@H]1CCC[N@H+]1Cc1nc2ccc(F)cc2o1 ZINC000466833515 1127437887 /nfs/dbraw/zinc/43/78/87/1127437887.db2.gz GWHOSGXYPRHTLR-ZDUSSCGKSA-N 0 1 276.355 3.977 20 0 CHADMN C[C@H]([NH2+]C/C=C\Cl)c1cc(Br)ccc1[O-] ZINC000903443710 1127446736 /nfs/dbraw/zinc/44/67/36/1127446736.db2.gz JFUTVUZGHIOXCN-YAPUSRSVSA-N 0 1 290.588 3.558 20 0 CHADMN COc1cccc(Cl)c1CN[C@H](C)CSCCF ZINC000595039840 1127450646 /nfs/dbraw/zinc/45/06/46/1127450646.db2.gz GWHVZSHZHWQROP-SNVBAGLBSA-N 0 1 291.819 3.529 20 0 CHADMN CC1(CN2CC=C(c3c(F)cccc3F)CC2)CC1 ZINC000574893611 1127451975 /nfs/dbraw/zinc/45/19/75/1127451975.db2.gz SCUSPVKOLKDQMX-UHFFFAOYSA-N 0 1 263.331 3.854 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1ccc(C)cn1)[C@@H]2C ZINC000359302839 1127457148 /nfs/dbraw/zinc/45/71/48/1127457148.db2.gz UJIJZBUCJCFNIF-LSDHHAIUSA-N 0 1 296.414 3.906 20 0 CHADMN CN(C)c1ncccc1CN[C@H](c1ccc(F)cc1)C1CC1 ZINC000359272690 1127455816 /nfs/dbraw/zinc/45/58/16/1127455816.db2.gz AUJKYORPPPVHJJ-KRWDZBQOSA-N 0 1 299.393 3.528 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)ncn1 ZINC000359291044 1127456594 /nfs/dbraw/zinc/45/65/94/1127456594.db2.gz DCFDKUPAHJXPCH-MRXNPFEDSA-N 0 1 287.794 3.679 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1ccncc1)[C@H]2C ZINC000359292180 1127456846 /nfs/dbraw/zinc/45/68/46/1127456846.db2.gz MPMQGGGOTCWLST-KGLIPLIRSA-N 0 1 282.387 3.598 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000359308012 1127458307 /nfs/dbraw/zinc/45/83/07/1127458307.db2.gz VVYPJSPBLUOXDP-OLZOCXBDSA-N 0 1 258.365 3.957 20 0 CHADMN Fc1ccc([C@@H](NCc2ccc(F)cn2)C2CC2)cc1 ZINC000359328447 1127459126 /nfs/dbraw/zinc/45/91/26/1127459126.db2.gz YXRDSIJJJFBPNJ-INIZCTEOSA-N 0 1 274.314 3.601 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@@H](C)c1cncc(F)c1 ZINC000359351067 1127459973 /nfs/dbraw/zinc/45/99/73/1127459973.db2.gz XZOQAYLGEQBLIU-NWDGAFQWSA-N 0 1 273.355 3.590 20 0 CHADMN COc1ccnc(CN2CCC[C@@H]2c2ccc(C)cc2)c1 ZINC000359379602 1127460920 /nfs/dbraw/zinc/46/09/20/1127460920.db2.gz ALWDQRWDXMOEQP-GOSISDBHSA-N 0 1 282.387 3.736 20 0 CHADMN COc1ccsc1CNc1cc2c(cn1)CCCC2 ZINC000359468707 1127464646 /nfs/dbraw/zinc/46/46/46/1127464646.db2.gz DSSPCIQEBGWCHN-UHFFFAOYSA-N 0 1 274.389 3.643 20 0 CHADMN CSC[C@@H]1CCCN(Cc2nsc3ccccc32)C1 ZINC000595512901 1127464852 /nfs/dbraw/zinc/46/48/52/1127464852.db2.gz XVFPVBRMJJFTTR-GFCCVEGCSA-N 0 1 292.473 3.871 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000595571635 1127466301 /nfs/dbraw/zinc/46/63/01/1127466301.db2.gz LJKYSVPSIFZCDI-RYUDHWBXSA-N 0 1 295.810 3.874 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1cnccc1C)[C@@H]2C ZINC000359544791 1127467401 /nfs/dbraw/zinc/46/74/01/1127467401.db2.gz XANVIJXTPYTBMM-LSDHHAIUSA-N 0 1 296.414 3.906 20 0 CHADMN CC(C)(C)c1nnc(CN2CCC[C@H]2Cc2ccccc2)o1 ZINC000046855787 1127467612 /nfs/dbraw/zinc/46/76/12/1127467612.db2.gz CJHZONFYZLAIJW-HNNXBMFYSA-N 0 1 299.418 3.574 20 0 CHADMN O=S(=O)(Nc1cccc(C2CCC2)c1)c1ccsc1 ZINC000359557336 1127468044 /nfs/dbraw/zinc/46/80/44/1127468044.db2.gz BPBUBCPYGCQQCD-UHFFFAOYSA-N 0 1 293.413 3.816 20 0 CHADMN CCS[C@@H](C)c1noc(CN[C@@H](C)C(C)(C)CC)n1 ZINC000595638627 1127469304 /nfs/dbraw/zinc/46/93/04/1127469304.db2.gz JAEJMSCRNRIZJQ-QWRGUYRKSA-N 0 1 285.457 3.798 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)c1 ZINC000359592530 1127469497 /nfs/dbraw/zinc/46/94/97/1127469497.db2.gz YJPZPNDBPIZGLC-KPZWWZAWSA-N 0 1 297.402 3.524 20 0 CHADMN C[C@@H](NCCSC1CCCCC1)c1cscn1 ZINC000595668859 1127472082 /nfs/dbraw/zinc/47/20/82/1127472082.db2.gz PYNVTLYQKUGQOM-LLVKDONJSA-N 0 1 270.467 3.860 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1cc2c(c(Cl)c1)OCO2 ZINC000595716723 1127474539 /nfs/dbraw/zinc/47/45/39/1127474539.db2.gz YRYUBQQYCNAPDP-PHIMTYICSA-N 0 1 281.783 3.832 20 0 CHADMN C[C@H](CC(F)(F)F)N[C@@H](C)c1ccc(Cl)cn1 ZINC000359995890 1127486121 /nfs/dbraw/zinc/48/61/21/1127486121.db2.gz UYRZHDGVZOWRQG-SFYZADRCSA-N 0 1 266.694 3.727 20 0 CHADMN CC(C)Cc1noc(CN[C@@H]2CCC(C)(C)C[C@H]2C)n1 ZINC000360281305 1127494615 /nfs/dbraw/zinc/49/46/15/1127494615.db2.gz ADHWVQPEGXYPQL-CHWSQXEVSA-N 0 1 279.428 3.573 20 0 CHADMN CC=Cc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1 ZINC000360319189 1127495607 /nfs/dbraw/zinc/49/56/07/1127495607.db2.gz OZKLWMJHUWCEGQ-NSCUHMNNSA-N 0 1 267.332 3.573 20 0 CHADMN C[C@@H]1CC[C@H](NCc2noc(-c3ccccc3)n2)[C@H](C)C1 ZINC000360336659 1127496798 /nfs/dbraw/zinc/49/67/98/1127496798.db2.gz KPYISWFRDVBZHY-NFAWXSAZSA-N 0 1 285.391 3.651 20 0 CHADMN CCCN(Cc1ccccn1)[C@@H]1CCCc2cccnc21 ZINC000360484209 1127500480 /nfs/dbraw/zinc/50/04/80/1127500480.db2.gz PFKGLEWVVXIGMI-QGZVFWFLSA-N 0 1 281.403 3.766 20 0 CHADMN C[C@H](c1ccsc1)N1CCN(Cc2ccccc2)CC1 ZINC000360623356 1127503767 /nfs/dbraw/zinc/50/37/67/1127503767.db2.gz XOMKYPLFVUMWOF-OAHLLOKOSA-N 0 1 286.444 3.627 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@@H](C(F)(F)F)[C@H]2C)s1 ZINC000360737508 1127508725 /nfs/dbraw/zinc/50/87/25/1127508725.db2.gz MMODQNGFCJLURP-MWLCHTKSSA-N 0 1 292.370 3.923 20 0 CHADMN CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@](CC)(C(=O)[O-])C1 ZINC000227833040 1127508198 /nfs/dbraw/zinc/50/81/98/1127508198.db2.gz CVHIOYAKOLMVGM-WBVHZDCISA-N 0 1 293.382 3.854 20 0 CHADMN CSCc1cnc(CNCCSC(C)(C)C)s1 ZINC000293601751 1127508420 /nfs/dbraw/zinc/50/84/20/1127508420.db2.gz PAFCWSNSUYZAIC-UHFFFAOYSA-N 0 1 290.523 3.627 20 0 CHADMN CC(C)SCCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000596595318 1127510077 /nfs/dbraw/zinc/51/00/77/1127510077.db2.gz XJAHQYMTNPGQIZ-CQSZACIVSA-N 0 1 264.438 3.606 20 0 CHADMN CC[C@H]1CCCN1Cc1c(Cl)cc(OC)cc1OC ZINC001231697502 1127517225 /nfs/dbraw/zinc/51/72/25/1127517225.db2.gz YBYVVLINYQVUGB-NSHDSACASA-N 0 1 283.799 3.732 20 0 CHADMN CC[C@@H]1CCCN1Cc1cc(F)cc(Br)c1 ZINC000093994374 1127519193 /nfs/dbraw/zinc/51/91/93/1127519193.db2.gz OUDJAGNIEUGSFW-CYBMUJFWSA-N 0 1 286.188 3.963 20 0 CHADMN C[C@H](CSCCF)N[C@H](CF)c1ccc(F)cc1 ZINC000601319061 1127521545 /nfs/dbraw/zinc/52/15/45/1127521545.db2.gz VSIVDYJOXXLJBV-ZWNOBZJWSA-N 0 1 277.355 3.517 20 0 CHADMN C[C@H](NCc1ccc(C2CC2)cc1F)c1cccnc1 ZINC000293795803 1127521771 /nfs/dbraw/zinc/52/17/71/1127521771.db2.gz URXJGJWZBICLGI-LBPRGKRZSA-N 0 1 270.351 3.949 20 0 CHADMN COCCN(Cc1ccc(C)nc1)[C@H](C)c1ccccc1 ZINC000360966675 1127524853 /nfs/dbraw/zinc/52/48/53/1127524853.db2.gz RFBCUYFABFKRFB-MRXNPFEDSA-N 0 1 284.403 3.600 20 0 CHADMN Cc1nc([C@H](C)N[C@H]2C[C@@H](OC(C)C)C2(C)C)cs1 ZINC000360993386 1127527179 /nfs/dbraw/zinc/52/71/79/1127527179.db2.gz AVEJFLXBGFKVQG-LEWSCRJBSA-N 0 1 282.453 3.694 20 0 CHADMN Cc1nc([C@@H](C)NCC(C)(C)Oc2ccccc2)cs1 ZINC000361001387 1127528127 /nfs/dbraw/zinc/52/81/27/1127528127.db2.gz FMBBXVAZJSDDFZ-GFCCVEGCSA-N 0 1 290.432 3.960 20 0 CHADMN CCCc1nc(C)c(CN[C@@H]2CCCNc3ccccc32)o1 ZINC000293874499 1127528530 /nfs/dbraw/zinc/52/85/30/1127528530.db2.gz YISJTFJDOJDZGR-MRXNPFEDSA-N 0 1 299.418 3.972 20 0 CHADMN c1ccc([C@H](NCCOCC2CCC2)c2ccccn2)cc1 ZINC000361040438 1127532027 /nfs/dbraw/zinc/53/20/27/1127532027.db2.gz NUZIUYXOIAJZFG-IBGZPJMESA-N 0 1 296.414 3.577 20 0 CHADMN c1ccc([C@@H](NCCOCC2CCC2)c2ccccn2)cc1 ZINC000361040439 1127532608 /nfs/dbraw/zinc/53/26/08/1127532608.db2.gz NUZIUYXOIAJZFG-LJQANCHMSA-N 0 1 296.414 3.577 20 0 CHADMN CSc1ccccc1CN[C@@H](C)c1cccnc1 ZINC000361087900 1127536890 /nfs/dbraw/zinc/53/68/90/1127536890.db2.gz NVZKTBATPDALBF-LBPRGKRZSA-N 0 1 258.390 3.654 20 0 CHADMN Cc1nc([C@H](C)NCCCOc2ccc(C)cc2)cs1 ZINC000361109371 1127538729 /nfs/dbraw/zinc/53/87/29/1127538729.db2.gz NDIUSILXXXSXEA-ZDUSSCGKSA-N 0 1 290.432 3.880 20 0 CHADMN COc1ccncc1CN[C@H](c1ccc(C)cc1)C1CC1 ZINC000293978051 1127538813 /nfs/dbraw/zinc/53/88/13/1127538813.db2.gz BDVZVTDNLCAJOX-GOSISDBHSA-N 0 1 282.387 3.640 20 0 CHADMN O=C(N[C@H]1CCCCC12CCCC2)c1ccc2cncn2c1 ZINC000361205583 1127547082 /nfs/dbraw/zinc/54/70/82/1127547082.db2.gz ZULIYOKBFOOTCX-INIZCTEOSA-N 0 1 297.402 3.567 20 0 CHADMN C=Cn1cc(CN(C)[C@H]2CCCC[C@@H]2C(F)(F)F)cn1 ZINC000361236018 1127549137 /nfs/dbraw/zinc/54/91/37/1127549137.db2.gz HDTKDDMWPAFVFG-STQMWFEESA-N 0 1 287.329 3.537 20 0 CHADMN CN(Cc1ccccn1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361239595 1127549261 /nfs/dbraw/zinc/54/92/61/1127549261.db2.gz WDDVURKUAUOZEK-CHWSQXEVSA-N 0 1 272.314 3.635 20 0 CHADMN CCN(Cc1c(Cl)oc2ccccc21)[C@@H]1CCOC1 ZINC000361239173 1127549346 /nfs/dbraw/zinc/54/93/46/1127549346.db2.gz XZVGRWWTMXGTPA-LLVKDONJSA-N 0 1 279.767 3.697 20 0 CHADMN CCN(Cc1ccc(Oc2ccccc2)o1)[C@H]1CCOC1 ZINC000361237445 1127549425 /nfs/dbraw/zinc/54/94/25/1127549425.db2.gz ORCVXLYUTYDLPD-AWEZNQCLSA-N 0 1 287.359 3.683 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1ccc(C)nc1)[C@H]2C ZINC000361274815 1127552213 /nfs/dbraw/zinc/55/22/13/1127552213.db2.gz BFKIHESEJWCWOA-GJZGRUSLSA-N 0 1 296.414 3.906 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1cncc(C(F)(F)F)c1 ZINC000361294181 1127553790 /nfs/dbraw/zinc/55/37/90/1127553790.db2.gz CPXWPMSRCKRWCN-ZDUSSCGKSA-N 0 1 272.314 3.721 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2cncc(C(F)(F)F)c2)C1 ZINC000361309991 1127555507 /nfs/dbraw/zinc/55/55/07/1127555507.db2.gz ROSQNOQCDLSTFM-MNOVXSKESA-N 0 1 272.314 3.721 20 0 CHADMN Fc1ccc(/C=C\CNc2ccc3c[nH]nc3c2)c(F)c1 ZINC001203478783 1127557938 /nfs/dbraw/zinc/55/79/38/1127557938.db2.gz IJKLUZFTFQPINB-UPHRSURJSA-N 0 1 285.297 3.966 20 0 CHADMN Fc1cccc2c1OCCN([C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000361379369 1127560195 /nfs/dbraw/zinc/56/01/95/1127560195.db2.gz UWNGDICLTDGAJW-NVXWUHKLSA-N 0 1 283.346 3.576 20 0 CHADMN CCc1ccccc1CN(C)Cc1cnccc1C ZINC000361413721 1127562185 /nfs/dbraw/zinc/56/21/85/1127562185.db2.gz RVCKAPFHACFMLE-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN CN(CC(=O)c1c[nH]c2ccccc12)[C@H]1CCC(C)(C)C1 ZINC000361472259 1127565858 /nfs/dbraw/zinc/56/58/58/1127565858.db2.gz WLWAMUTWYRSEPJ-ZDUSSCGKSA-N 0 1 284.403 3.861 20 0 CHADMN CCN(Cc1nnc(Cc2ccccc2C)o1)CC1CCC1 ZINC000361486712 1127566563 /nfs/dbraw/zinc/56/65/63/1127566563.db2.gz SBCZEGYYBVKWQK-UHFFFAOYSA-N 0 1 299.418 3.591 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cc2ncc(C3CC3)o2)C1 ZINC000361547702 1127571006 /nfs/dbraw/zinc/57/10/06/1127571006.db2.gz GOONLEFWFORVRN-CYBMUJFWSA-N 0 1 262.397 3.810 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2ccc3c(c2)CCCC3)n1 ZINC000361601632 1127576421 /nfs/dbraw/zinc/57/64/21/1127576421.db2.gz NZMBWHDHEDASON-HNNXBMFYSA-N 0 1 285.391 3.661 20 0 CHADMN CCCN(CCn1nc(C)cc1C)Cc1ccccc1F ZINC000597966856 1127573116 /nfs/dbraw/zinc/57/31/16/1127573116.db2.gz UFMMUYBHNVNRNN-UHFFFAOYSA-N 0 1 289.398 3.551 20 0 CHADMN COc1ccc(C2(NCc3ccccc3F)CC2)cc1 ZINC000598038059 1127577215 /nfs/dbraw/zinc/57/72/15/1127577215.db2.gz UKVRRSMKZSLNMI-UHFFFAOYSA-N 0 1 271.335 3.613 20 0 CHADMN C/C(=C\c1ccccc1)CNCc1cn2c(cccc2C)n1 ZINC000598037665 1127577225 /nfs/dbraw/zinc/57/72/25/1127577225.db2.gz CQAHBOOOHJHFSR-RVDMUPIBSA-N 0 1 291.398 3.836 20 0 CHADMN CCc1nc(CN(CCOC)C[C@@H]2CC=CCC2)cs1 ZINC000361674090 1127581282 /nfs/dbraw/zinc/58/12/82/1127581282.db2.gz CEVJPHCKZIIHQV-CQSZACIVSA-N 0 1 294.464 3.510 20 0 CHADMN C[C@H]1c2ccccc2C[N@H+]1[C@H]1CCc2ccccc2NC1=O ZINC000361748645 1127585982 /nfs/dbraw/zinc/58/59/82/1127585982.db2.gz RLTKFWMPIOHSMC-UGSOOPFHSA-N 0 1 292.382 3.517 20 0 CHADMN C[C@H]1c2ccccc2CN1[C@H]1CCc2ccccc2NC1=O ZINC000361748645 1127585985 /nfs/dbraw/zinc/58/59/85/1127585985.db2.gz RLTKFWMPIOHSMC-UGSOOPFHSA-N 0 1 292.382 3.517 20 0 CHADMN C[C@@H](CC(F)(F)F)NCc1nc2c(s1)C[C@H](C)CC2 ZINC000361747098 1127586080 /nfs/dbraw/zinc/58/60/80/1127586080.db2.gz YJDKMIXRZQAMIM-BDAKNGLRSA-N 0 1 292.370 3.698 20 0 CHADMN CC[C@@H](N[C@@H]1CSc2ccccc21)c1ccncc1 ZINC000361765692 1127587714 /nfs/dbraw/zinc/58/77/14/1127587714.db2.gz PTCJLRYDZFQZMF-HUUCEWRRSA-N 0 1 270.401 3.969 20 0 CHADMN CCC[C@@H](NCc1cc(F)ncc1F)c1ccccc1 ZINC000294707407 1127594265 /nfs/dbraw/zinc/59/42/65/1127594265.db2.gz HBMKZOBNBFCNNN-OAHLLOKOSA-N 0 1 276.330 3.991 20 0 CHADMN [O-]c1ccc(F)c(C[NH2+]C[C@H]2CCCC(F)(F)C2)c1F ZINC000294723395 1127594900 /nfs/dbraw/zinc/59/49/00/1127594900.db2.gz PMPPVXJOIMEXFZ-VIFPVBQESA-N 0 1 291.288 3.586 20 0 CHADMN CCO[C@H]1CCCN([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000602578886 1127596128 /nfs/dbraw/zinc/59/61/28/1127596128.db2.gz NZBCORXMRMSCCL-YPMHNXCESA-N 0 1 269.335 3.527 20 0 CHADMN CCO[C@@H]1CCCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000602579175 1127596164 /nfs/dbraw/zinc/59/61/64/1127596164.db2.gz XTZNFUDPCZSUFS-DGCLKSJQSA-N 0 1 269.335 3.527 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@@H](CCO)c1ccccc1 ZINC000361879505 1127596209 /nfs/dbraw/zinc/59/62/09/1127596209.db2.gz HRHJPELTZSPGKY-YJBOKZPZSA-N 0 1 299.414 3.860 20 0 CHADMN Cc1c([C@@H](C)NCc2c(C)cccc2Cl)cnn1C ZINC000294913872 1127607806 /nfs/dbraw/zinc/60/78/06/1127607806.db2.gz FYDZFVZXSDGNRR-LLVKDONJSA-N 0 1 277.799 3.541 20 0 CHADMN FC(F)(F)c1cnc(CN[C@@H]2CCCC23CCCC3)nc1 ZINC000294917407 1127608617 /nfs/dbraw/zinc/60/86/17/1127608617.db2.gz FJMIDHHTLCHQKP-GFCCVEGCSA-N 0 1 299.340 3.698 20 0 CHADMN Fc1cc(CN[C@@H](c2ccccc2)C2CCC2)c(F)cn1 ZINC000294927442 1127608658 /nfs/dbraw/zinc/60/86/58/1127608658.db2.gz DBMJEWPJITVFAK-KRWDZBQOSA-N 0 1 288.341 3.991 20 0 CHADMN Cc1cccnc1CN1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000294943936 1127609861 /nfs/dbraw/zinc/60/98/61/1127609861.db2.gz HCYSFNIAKOWBBJ-RYUDHWBXSA-N 0 1 272.314 3.553 20 0 CHADMN Clc1ccc([C@@H](NCc2cnns2)C2CCC2)cc1 ZINC000294953833 1127610164 /nfs/dbraw/zinc/61/01/64/1127610164.db2.gz JIEUXJMBNPXPGM-AWEZNQCLSA-N 0 1 293.823 3.823 20 0 CHADMN Cc1cccnc1[C@@H](NCc1ccncc1C)C(C)C ZINC000294944435 1127610369 /nfs/dbraw/zinc/61/03/69/1127610369.db2.gz BVANCURAOHYJSZ-INIZCTEOSA-N 0 1 269.392 3.580 20 0 CHADMN Clc1ccc([C@H](NCc2cnns2)C2CCC2)cc1 ZINC000294953837 1127610396 /nfs/dbraw/zinc/61/03/96/1127610396.db2.gz JIEUXJMBNPXPGM-CQSZACIVSA-N 0 1 293.823 3.823 20 0 CHADMN Cc1cc(NCc2nnc(C(C)C)[nH]2)c2cc(F)ccc2n1 ZINC000294968599 1127610878 /nfs/dbraw/zinc/61/08/78/1127610878.db2.gz NTCZHHOSRCQPDW-UHFFFAOYSA-N 0 1 299.353 3.536 20 0 CHADMN CCn1cc([C@@H](C)NCc2ccc3occc3c2)cn1 ZINC000294972407 1127611929 /nfs/dbraw/zinc/61/19/29/1127611929.db2.gz XLOLEHNNGRGYOW-GFCCVEGCSA-N 0 1 269.348 3.500 20 0 CHADMN C[C@@H](NCc1cnc(Br)s1)c1ccccc1 ZINC000295047795 1127616933 /nfs/dbraw/zinc/61/69/33/1127616933.db2.gz UBZQUWFQANSUJK-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN CN(CCC(C)(C)C)Cc1ccn(-c2ccccc2)n1 ZINC000602862358 1127617778 /nfs/dbraw/zinc/61/77/78/1127617778.db2.gz FGBLZKXNIOYZHF-UHFFFAOYSA-N 0 1 271.408 3.740 20 0 CHADMN C[C@@H]1C[C@@H]1[C@@H](NCc1cnns1)c1ccc(Cl)cc1 ZINC000295002048 1127613514 /nfs/dbraw/zinc/61/35/14/1127613514.db2.gz OFQJCJIPNHTRAT-IIMNLJJBSA-N 0 1 293.823 3.678 20 0 CHADMN C[C@@H]1C[C@@H](NCc2ccsc2)c2ccccc2O1 ZINC000295082255 1127619031 /nfs/dbraw/zinc/61/90/31/1127619031.db2.gz QLZTWEHQRRNXEL-BXUZGUMPSA-N 0 1 259.374 3.750 20 0 CHADMN CC1(C)C[C@H]1NCc1c(Cl)cccc1OC(F)F ZINC000602910973 1127619795 /nfs/dbraw/zinc/61/97/95/1127619795.db2.gz QIQSNIYOMBXTSO-LLVKDONJSA-N 0 1 275.726 3.830 20 0 CHADMN FC(F)(F)c1cnc(CNC2CCCCCCC2)nc1 ZINC000295097015 1127619803 /nfs/dbraw/zinc/61/98/03/1127619803.db2.gz UKPVCFMKAPEOTI-UHFFFAOYSA-N 0 1 287.329 3.698 20 0 CHADMN COCCN(Cc1nc(C)c(C)s1)C[C@H]1CC=CCC1 ZINC000362243576 1127621860 /nfs/dbraw/zinc/62/18/60/1127621860.db2.gz BDDQFJUNKXAWBW-HNNXBMFYSA-N 0 1 294.464 3.565 20 0 CHADMN CC1(C)CN(CCc2cscn2)[C@@H]1c1cccs1 ZINC000295149681 1127623636 /nfs/dbraw/zinc/62/36/36/1127623636.db2.gz BKIYJCGVAUMLQV-CYBMUJFWSA-N 0 1 278.446 3.830 20 0 CHADMN COCCN(Cc1nc(C)sc1C)C[C@@H]1CC=CCC1 ZINC000362259358 1127623755 /nfs/dbraw/zinc/62/37/55/1127623755.db2.gz DMMFPAVZZMSBQD-OAHLLOKOSA-N 0 1 294.464 3.565 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H]1CCCc2cc(OC)ccc21 ZINC000295239437 1127629342 /nfs/dbraw/zinc/62/93/42/1127629342.db2.gz OXJCKQQFANQKGA-DYVFJYSZSA-N 0 1 299.418 3.640 20 0 CHADMN Cc1nocc1CN1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000295292026 1127633524 /nfs/dbraw/zinc/63/35/24/1127633524.db2.gz JHAAGFDYJATOFN-BDJLRTHQSA-N 0 1 274.339 3.705 20 0 CHADMN CCC[C@@]1(C)CCCN([C@H](C)c2nnc(CC)o2)C1 ZINC000362434592 1127635734 /nfs/dbraw/zinc/63/57/34/1127635734.db2.gz NCPDYAHDXCIFKP-DOMZBBRYSA-N 0 1 265.401 3.595 20 0 CHADMN CSC[C@@H]1CCCN1Cc1cc(F)cc(Cl)c1 ZINC000362513580 1127642178 /nfs/dbraw/zinc/64/21/78/1127642178.db2.gz VVOUFYLUIYGURH-ZDUSSCGKSA-N 0 1 273.804 3.807 20 0 CHADMN COc1ccc(CN[C@H](C)c2cccc(C3CC3)c2)nc1 ZINC000295424043 1127642528 /nfs/dbraw/zinc/64/25/28/1127642528.db2.gz NPBAYPMWNYWICV-CYBMUJFWSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1nnc([C@@H](C)NC[C@H](C)c2cc(F)cc(F)c2)s1 ZINC000295507121 1127644883 /nfs/dbraw/zinc/64/48/83/1127644883.db2.gz UOQXHKYJXJBTPL-DTWKUNHWSA-N 0 1 297.374 3.579 20 0 CHADMN COC[C@H](NCc1csc(C)c1)c1ccc(F)c(F)c1 ZINC000295516783 1127645625 /nfs/dbraw/zinc/64/56/25/1127645625.db2.gz VHUKHTWJEBLCSR-HNNXBMFYSA-N 0 1 297.370 3.812 20 0 CHADMN CSCc1ccc(CNCc2ccncc2Cl)cc1 ZINC000598975381 1127648584 /nfs/dbraw/zinc/64/85/84/1127648584.db2.gz GSJXWPRAFUPCBL-UHFFFAOYSA-N 0 1 292.835 3.888 20 0 CHADMN CC[C@H]1CCC[C@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000295635684 1127648843 /nfs/dbraw/zinc/64/88/43/1127648843.db2.gz CZMXYOHZJPCHGZ-DTWKUNHWSA-N 0 1 285.746 3.950 20 0 CHADMN Cc1cccc([C@H](N[C@@H]2C[C@H](C)O[C@H]2C)c2ccccn2)c1 ZINC000295723747 1127651490 /nfs/dbraw/zinc/65/14/90/1127651490.db2.gz OHFVTHULLSZRHZ-SAKMYQHLSA-N 0 1 296.414 3.635 20 0 CHADMN CC(C)(C)OCCNc1ccnc2cc(F)ccc21 ZINC000603494179 1127654540 /nfs/dbraw/zinc/65/45/40/1127654540.db2.gz YIKZUEIXKYCUSE-UHFFFAOYSA-N 0 1 262.328 3.601 20 0 CHADMN C[C@@](O)(CN1CC2(CCC2)[C@@H]1c1ccccc1)C(F)(F)F ZINC000295915058 1127657384 /nfs/dbraw/zinc/65/73/84/1127657384.db2.gz HEKQFVGISDIEFM-UONOGXRCSA-N 0 1 299.336 3.527 20 0 CHADMN CCn1cc([C@H](C)NCc2c(C)cccc2Cl)cn1 ZINC000295994284 1127659562 /nfs/dbraw/zinc/65/95/62/1127659562.db2.gz KELDFNUHRPHSPS-LBPRGKRZSA-N 0 1 277.799 3.716 20 0 CHADMN C[C@H](NCc1ccc(CO)o1)c1cccc(C2CC2)c1 ZINC000296136380 1127663853 /nfs/dbraw/zinc/66/38/53/1127663853.db2.gz UWLIZDVUYLQVAB-LBPRGKRZSA-N 0 1 271.360 3.500 20 0 CHADMN CCn1cc([C@H](C)NCc2ccc(C(C)C)nc2C)cn1 ZINC000296096932 1127662807 /nfs/dbraw/zinc/66/28/07/1127662807.db2.gz PXIHOHMKFHGHHU-ZDUSSCGKSA-N 0 1 286.423 3.581 20 0 CHADMN CC(C)N1N=C(c2ccc(C(F)(F)F)cc2)CC1=O ZINC001245916556 1131240022 /nfs/dbraw/zinc/24/00/22/1131240022.db2.gz MVCRCFJTORNMPL-UHFFFAOYSA-N 0 1 270.254 3.855 20 0 CHADMN O[C@@H](CN1CC2(CCC2)[C@@H]1c1ccccc1)CC(F)(F)F ZINC000296256328 1127667496 /nfs/dbraw/zinc/66/74/96/1127667496.db2.gz QHYDTMXORQZZOH-KGLIPLIRSA-N 0 1 299.336 3.527 20 0 CHADMN CCCCc1ccc([C@H](C)NCc2n[nH]c(C3CC3)n2)cc1 ZINC000296329284 1127668594 /nfs/dbraw/zinc/66/85/94/1127668594.db2.gz HEKRWECBHQWRGJ-ZDUSSCGKSA-N 0 1 298.434 3.876 20 0 CHADMN Cc1cccc(Cl)c1CN[C@H](CCO)c1ccccc1 ZINC000296312251 1127668687 /nfs/dbraw/zinc/66/86/87/1127668687.db2.gz NRIDOBABTDIPAH-QGZVFWFLSA-N 0 1 289.806 3.862 20 0 CHADMN CS[C@@H]1CCN(Cc2nc3cc(C)ccc3s2)C1 ZINC000599432063 1127672560 /nfs/dbraw/zinc/67/25/60/1127672560.db2.gz ZYTRWBMQLLLVSB-LLVKDONJSA-N 0 1 278.446 3.542 20 0 CHADMN C[C@@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1cccc(O)c1 ZINC000296469792 1127672985 /nfs/dbraw/zinc/67/29/85/1127672985.db2.gz NRNNAEBMDFMRID-PBFPGSCMSA-N 0 1 283.371 3.955 20 0 CHADMN CCc1ccc([C@H](CC)NCc2n[nH]c(C(C)C)n2)cc1 ZINC000296466259 1127673146 /nfs/dbraw/zinc/67/31/46/1127673146.db2.gz NNYUQUBTQNIBBS-HNNXBMFYSA-N 0 1 286.423 3.731 20 0 CHADMN COC[C@@H](NCc1ccncc1C)c1ccc(Cl)cc1 ZINC000296649439 1127679927 /nfs/dbraw/zinc/67/99/27/1127679927.db2.gz CZJBKBDHWPMOKC-MRXNPFEDSA-N 0 1 290.794 3.521 20 0 CHADMN CCCC[C@H](COC)N[C@H](c1ccccc1)c1ccccn1 ZINC000363789546 1127684686 /nfs/dbraw/zinc/68/46/86/1127684686.db2.gz AWCKDOKKDBZMCG-IEBWSBKVSA-N 0 1 298.430 3.966 20 0 CHADMN C[C@H](N[C@@H]1Cc2ccc(Cl)cc2C1)c1cscn1 ZINC000669705271 1127685016 /nfs/dbraw/zinc/68/50/16/1127685016.db2.gz VQIBNTQAQYRULM-TVQRCGJNSA-N 0 1 278.808 3.615 20 0 CHADMN Cc1nc(Br)ccc1CN1C[C@@H](C)C[C@H](C)C1 ZINC001232324536 1127684268 /nfs/dbraw/zinc/68/42/68/1127684268.db2.gz ZLZYBGMQVMTBIC-QWRGUYRKSA-N 0 1 297.240 3.630 20 0 CHADMN Cc1nc(CNCc2ccc3c(c2)CCC3)sc1C ZINC000719535088 1127690152 /nfs/dbraw/zinc/69/01/52/1127690152.db2.gz LOQTUWRMKXCLKR-UHFFFAOYSA-N 0 1 272.417 3.538 20 0 CHADMN C[C@H](NCc1cc(C2CC2)ccc1F)c1cccnc1 ZINC000297201766 1127690787 /nfs/dbraw/zinc/69/07/87/1127690787.db2.gz GACCARJJSCEVLB-LBPRGKRZSA-N 0 1 270.351 3.949 20 0 CHADMN Cc1ccoc1CN[C@@H]1CCCc2nc(Cl)ccc21 ZINC000297210046 1127691057 /nfs/dbraw/zinc/69/10/57/1127691057.db2.gz GPLWKVXUFUNKAY-GFCCVEGCSA-N 0 1 276.767 3.804 20 0 CHADMN Cc1cncc([C@@H](C)N[C@H]2CCCc3cnn(C(C)C)c32)c1 ZINC000364174872 1127692184 /nfs/dbraw/zinc/69/21/84/1127692184.db2.gz MSORBBAUWSJANA-PBHICJAKSA-N 0 1 298.434 3.896 20 0 CHADMN Cc1cc(C)cc(NCc2[nH]nc3ccccc32)c1 ZINC000604064436 1127693460 /nfs/dbraw/zinc/69/34/60/1127693460.db2.gz VYPOHLMOYAIRMR-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN CC[C@H](NCc1cc(C2CC2)ccc1F)c1cnn(C)c1 ZINC000297428793 1127696359 /nfs/dbraw/zinc/69/63/59/1127696359.db2.gz VENYIQAPMORSHU-KRWDZBQOSA-N 0 1 287.382 3.678 20 0 CHADMN COc1ccccc1[C@H](CC(C)C)N[C@H](C)c1cn[nH]c1 ZINC000297581270 1127701151 /nfs/dbraw/zinc/70/11/51/1127701151.db2.gz HEAUSIXDGDHHEM-CJNGLKHVSA-N 0 1 287.407 3.856 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2Cl)C(C)C)[nH]n1 ZINC000604416709 1127705179 /nfs/dbraw/zinc/70/51/79/1127705179.db2.gz AKDCMUKFPRZIIH-HNNXBMFYSA-N 0 1 277.799 3.858 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2Cl)C(C)C)n[nH]1 ZINC000604416709 1127705180 /nfs/dbraw/zinc/70/51/80/1127705180.db2.gz AKDCMUKFPRZIIH-HNNXBMFYSA-N 0 1 277.799 3.858 20 0 CHADMN CCN(Cc1nc(Cl)ccc1Cl)CC(C)C ZINC000061630397 1127706943 /nfs/dbraw/zinc/70/69/43/1127706943.db2.gz SJZUQOHCNPNJLV-UHFFFAOYSA-N 0 1 261.196 3.866 20 0 CHADMN C[C@H]1C[C@@H](NCC2(Sc3ccccc3)CC2)c2nccn21 ZINC000297826166 1127709399 /nfs/dbraw/zinc/70/93/99/1127709399.db2.gz RPGXSPVCSZHDHO-DZGCQCFKSA-N 0 1 299.443 3.803 20 0 CHADMN CCn1ccnc1[C@@H](C)NC[C@@H](C)Sc1ccccc1 ZINC000297861515 1127710268 /nfs/dbraw/zinc/71/02/68/1127710268.db2.gz UBPKBFKQHSTZOG-ZIAGYGMSSA-N 0 1 289.448 3.734 20 0 CHADMN C[C@H]1C[C@H](N[C@H]2c3cccc(F)c3CC[C@H]2C)c2nccn21 ZINC000297869326 1127711099 /nfs/dbraw/zinc/71/10/99/1127711099.db2.gz UMMNLPWWFMQSLK-FCLUMBPUSA-N 0 1 299.393 3.941 20 0 CHADMN CCc1csc(CN(C)CCCc2ccccc2)n1 ZINC001232473584 1127714134 /nfs/dbraw/zinc/71/41/34/1127714134.db2.gz YDECAEAGFGLOKA-UHFFFAOYSA-N 0 1 274.433 3.770 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2ccn(C(C)C)n2)CC1 ZINC000604885047 1127720356 /nfs/dbraw/zinc/72/03/56/1127720356.db2.gz BRZGALDCWLOJKO-HNNXBMFYSA-N 0 1 263.429 3.722 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCCOC(C)(C)C1 ZINC000604999327 1127725581 /nfs/dbraw/zinc/72/55/81/1127725581.db2.gz GJLHTTUCTLGZEP-LLVKDONJSA-N 0 1 269.335 3.527 20 0 CHADMN CC[C@H]1CCCN(CC(=O)Nc2ccc(C)cc2F)CC1 ZINC000604998832 1127725714 /nfs/dbraw/zinc/72/57/14/1127725714.db2.gz GIPFZVXTTRSFID-AWEZNQCLSA-N 0 1 292.398 3.585 20 0 CHADMN CC(C)CCc1noc(CN2CCCC[C@H]2C(C)C)n1 ZINC000605026432 1127726524 /nfs/dbraw/zinc/72/65/24/1127726524.db2.gz VLNXFOFUMQBCBZ-AWEZNQCLSA-N 0 1 279.428 3.669 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc(Cl)c2Cl)n[nH]1 ZINC000605165880 1127729635 /nfs/dbraw/zinc/72/96/35/1127729635.db2.gz DJQILTJZXJHCRE-VIFPVBQESA-N 0 1 284.190 3.876 20 0 CHADMN C[C@H]1SCCN(CCSc2ccccc2F)[C@H]1C ZINC000605317138 1127734716 /nfs/dbraw/zinc/73/47/16/1127734716.db2.gz WBZSAHHZPNXMIR-NWDGAFQWSA-N 0 1 285.453 3.744 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccc(C)cc2C)on1 ZINC000298862738 1127735953 /nfs/dbraw/zinc/73/59/53/1127735953.db2.gz SNXZNAVFRKDLPA-CQSZACIVSA-N 0 1 258.365 3.793 20 0 CHADMN CCCN(Cc1c(C)noc1C)Cc1ccc(F)cc1 ZINC000298791470 1127732747 /nfs/dbraw/zinc/73/27/47/1127732747.db2.gz FPZDVNHQTDHKPA-UHFFFAOYSA-N 0 1 276.355 3.843 20 0 CHADMN C[C@@H]1CCCN(Cc2c(Cl)ccnc2F)C[C@@H]1C ZINC001232614048 1127758128 /nfs/dbraw/zinc/75/81/28/1127758128.db2.gz AVQPOLKRHYBRHF-MNOVXSKESA-N 0 1 270.779 3.742 20 0 CHADMN CCc1ccc(CN2CCN([C@@H]3C=CCCC3)CC2)s1 ZINC000606446646 1127762772 /nfs/dbraw/zinc/76/27/72/1127762772.db2.gz WLPJDXYGZVTRPD-OAHLLOKOSA-N 0 1 290.476 3.537 20 0 CHADMN CCN(Cc1cc(F)ccc1Br)C1CCC1 ZINC000606434487 1127762959 /nfs/dbraw/zinc/76/29/59/1127762959.db2.gz FVILMULGLCIYIS-UHFFFAOYSA-N 0 1 286.188 3.963 20 0 CHADMN C[C@H]1c2ccc(F)cc2CCN1CCOc1ccccc1 ZINC000606448575 1127763876 /nfs/dbraw/zinc/76/38/76/1127763876.db2.gz BENONBUMIZFHTK-AWEZNQCLSA-N 0 1 285.362 3.824 20 0 CHADMN C[C@H](C(=O)Nc1ccccc1)N1CCC2(CCCC2)CC1 ZINC000606454100 1127764138 /nfs/dbraw/zinc/76/41/38/1127764138.db2.gz RILGEEXGECTZPA-OAHLLOKOSA-N 0 1 286.419 3.670 20 0 CHADMN C[C@@H]1c2c(F)cccc2CCN1Cc1ccccc1 ZINC000606450155 1127764375 /nfs/dbraw/zinc/76/43/75/1127764375.db2.gz PYMGGQASNGXEME-CYBMUJFWSA-N 0 1 255.336 3.945 20 0 CHADMN Cc1cc([C@H]2CCCN2CCCc2cccc(F)c2)no1 ZINC000371489711 1127767378 /nfs/dbraw/zinc/76/73/78/1127767378.db2.gz RTSJIDMDRVFGFK-QGZVFWFLSA-N 0 1 288.366 3.892 20 0 CHADMN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2ncc(C(C)(C)C)o2)C1 ZINC000409445941 1127770188 /nfs/dbraw/zinc/77/01/88/1127770188.db2.gz CUUNSZUPUNPLOA-AGIUHOORSA-N 0 1 264.413 3.839 20 0 CHADMN Cc1ccc([C@H]2CCN(Cc3ncc(C4CC4)o3)C2)cc1 ZINC000371755527 1127777676 /nfs/dbraw/zinc/77/76/76/1127777676.db2.gz YOFVIRVALLZITD-INIZCTEOSA-N 0 1 282.387 3.850 20 0 CHADMN CCCc1ccc(CN[C@H](CO)c2cccc(F)c2)cc1 ZINC000543809366 1127775908 /nfs/dbraw/zinc/77/59/08/1127775908.db2.gz GXHSLTIXJLXJKM-GOSISDBHSA-N 0 1 287.378 3.601 20 0 CHADMN CN(CCc1cccc2ccccc21)Cn1cc[nH]c1=S ZINC000173334287 1127818728 /nfs/dbraw/zinc/81/87/28/1127818728.db2.gz PYADCUATQXNRBF-UHFFFAOYSA-N 0 1 297.427 3.831 20 0 CHADMN Clc1ccc2c(c1Cl)OCC[C@H]2NCc1cc[nH]c1 ZINC000372849374 1127816618 /nfs/dbraw/zinc/81/66/18/1127816618.db2.gz MIAPQNHVIUNNRG-GFCCVEGCSA-N 0 1 297.185 3.935 20 0 CHADMN CCC[C@@H](CCc1ccccc1)NC(=O)c1[nH]nc(C)c1C ZINC000607672395 1127820108 /nfs/dbraw/zinc/82/01/08/1127820108.db2.gz XTCATGWHHVSUBG-INIZCTEOSA-N 0 1 299.418 3.558 20 0 CHADMN CCC[C@H](CCc1ccccc1)NC(=O)c1[nH]nc(C)c1C ZINC000607672396 1127820385 /nfs/dbraw/zinc/82/03/85/1127820385.db2.gz XTCATGWHHVSUBG-MRXNPFEDSA-N 0 1 299.418 3.558 20 0 CHADMN Cc1ccc(C(C)(C)CN(C)Cn2cc[nH]c2=S)cc1 ZINC000173366194 1127824147 /nfs/dbraw/zinc/82/41/47/1127824147.db2.gz IRUKDYDKPMBSHX-UHFFFAOYSA-N 0 1 289.448 3.721 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1nccs1 ZINC000373163273 1127826499 /nfs/dbraw/zinc/82/64/99/1127826499.db2.gz HWMPSGNWVXIVPF-CFVMTHIKSA-N 0 1 288.416 3.572 20 0 CHADMN C[C@@H]1CCCN(Cc2cc3c(c(Cl)c2)OCO3)[C@@H]1C ZINC000607754514 1127827606 /nfs/dbraw/zinc/82/76/06/1127827606.db2.gz VIHNJXOABCZVPO-GHMZBOCLSA-N 0 1 281.783 3.689 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1cc2c(c(Cl)c1)OCO2 ZINC000607754517 1127827722 /nfs/dbraw/zinc/82/77/22/1127827722.db2.gz VIHNJXOABCZVPO-WDEREUQCSA-N 0 1 281.783 3.689 20 0 CHADMN CCCc1nc(CN2CCCC[C@@H](CCOC)C2)cs1 ZINC000373364761 1127836981 /nfs/dbraw/zinc/83/69/81/1127836981.db2.gz VOKDMNGWNROFHN-AWEZNQCLSA-N 0 1 296.480 3.734 20 0 CHADMN Fc1cccc([C@@H]2C[C@@H]2N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000411123755 1127841425 /nfs/dbraw/zinc/84/14/25/1127841425.db2.gz DXLUMDPUFBIHJU-UBHSHLNASA-N 0 1 287.300 3.956 20 0 CHADMN CC(C)N(Cc1nc(Br)cs1)CC1CC1 ZINC001137779674 1127841800 /nfs/dbraw/zinc/84/18/00/1127841800.db2.gz MSSBSAFFRYTHBG-UHFFFAOYSA-N 0 1 289.242 3.526 20 0 CHADMN Cc1csc([C@H](NCc2[nH]nc3ccccc32)C2CC2)n1 ZINC000608062979 1127842389 /nfs/dbraw/zinc/84/23/89/1127842389.db2.gz GEVPQFUWSBQINV-OAHLLOKOSA-N 0 1 298.415 3.569 20 0 CHADMN Cc1ncc(CN(C)[C@@H]2C[C@H]2c2cccc(F)c2)s1 ZINC000411170938 1127844606 /nfs/dbraw/zinc/84/46/06/1127844606.db2.gz HMEMJZRAUUGHTA-LSDHHAIUSA-N 0 1 276.380 3.579 20 0 CHADMN CC[C@@H](NCc1cc(C)ccc1OC)c1ccncc1 ZINC000608058247 1127846187 /nfs/dbraw/zinc/84/61/87/1127846187.db2.gz HWQUUDYCIVFNOM-MRXNPFEDSA-N 0 1 270.376 3.640 20 0 CHADMN CC[C@@H](CN(CC)[C@@H](C)c1nnc(C)[nH]1)c1ccccc1 ZINC000411560972 1127865375 /nfs/dbraw/zinc/86/53/75/1127865375.db2.gz QBGOGLMYDRWWKQ-ZFWWWQNUSA-N 0 1 286.423 3.690 20 0 CHADMN CC(C)n1ncnc1CN1CCC[C@H](c2ccccc2)CC1 ZINC000373920745 1127866499 /nfs/dbraw/zinc/86/64/99/1127866499.db2.gz YMCAVDGEYCHEIR-KRWDZBQOSA-N 0 1 298.434 3.629 20 0 CHADMN CN(Cc1ccc(-c2ncco2)cc1F)[C@H]1CC1(C)C ZINC000411682014 1127869494 /nfs/dbraw/zinc/86/94/94/1127869494.db2.gz FHHFURXFIHAAKU-AWEZNQCLSA-N 0 1 274.339 3.711 20 0 CHADMN c1coc([C@@H]2CCN(Cc3coc(-c4ccccc4)n3)C2)c1 ZINC000374007130 1127870114 /nfs/dbraw/zinc/87/01/14/1127870114.db2.gz BLOSOXRXYAKYRV-OAHLLOKOSA-N 0 1 294.354 3.924 20 0 CHADMN C[C@@H]1CN([C@@H]2C[C@H]2c2cccc(F)c2)CCC1(F)F ZINC000411750909 1127872915 /nfs/dbraw/zinc/87/29/15/1127872915.db2.gz NFGLUFCRZBXCQU-DDTOSNHZSA-N 0 1 269.310 3.659 20 0 CHADMN C[C@@H]1CN([C@H]2C[C@H]2c2cccc(F)c2)CCC1(F)F ZINC000411750912 1127873287 /nfs/dbraw/zinc/87/32/87/1127873287.db2.gz NFGLUFCRZBXCQU-SWHYSGLUSA-N 0 1 269.310 3.659 20 0 CHADMN Cc1cnc(CN2CC[C@@H](c3ccccc3)C[C@@H]2C)o1 ZINC000374174636 1127876670 /nfs/dbraw/zinc/87/66/70/1127876670.db2.gz JJMRTLFBPAQLEP-XJKSGUPXSA-N 0 1 270.376 3.751 20 0 CHADMN Cc1cc(CN2CC[C@H](c3ccccc3)C[C@@H]2C)no1 ZINC000374171660 1127876700 /nfs/dbraw/zinc/87/67/00/1127876700.db2.gz DGFZZYKUBSGDHY-BBRMVZONSA-N 0 1 270.376 3.751 20 0 CHADMN Cc1cc(C)cc(NC(=O)CN2C3CCCC2CCC3)c1 ZINC000608565110 1127877430 /nfs/dbraw/zinc/87/74/30/1127877430.db2.gz SVKKNZHTNGABEE-UHFFFAOYSA-N 0 1 286.419 3.649 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1Cc1nc2ccccc2c(=O)[nH]1 ZINC000608566548 1127877684 /nfs/dbraw/zinc/87/76/84/1127877684.db2.gz KMWJFHQWKIBENL-BBRMVZONSA-N 0 1 299.418 3.736 20 0 CHADMN O[C@@H]1C[C@@H](c2ccccc2)N(Cc2sccc2Cl)C1 ZINC000411926090 1127879132 /nfs/dbraw/zinc/87/91/32/1127879132.db2.gz OTYMNYZZSACCQX-OCCSQVGLSA-N 0 1 293.819 3.709 20 0 CHADMN Cc1ccccc1-c1noc(CN2CC[C@@H](CC(C)C)C2)n1 ZINC000608746445 1127884629 /nfs/dbraw/zinc/88/46/29/1127884629.db2.gz USOXNYHRVWEUEP-HNNXBMFYSA-N 0 1 299.418 3.913 20 0 CHADMN Cc1ccc(F)cc1NC(=O)[C@H](C)N1CC(C)(C)C[C@H]1C ZINC000412046180 1127892175 /nfs/dbraw/zinc/89/21/75/1127892175.db2.gz QOUDFQUNKAZXPF-OLZOCXBDSA-N 0 1 292.398 3.582 20 0 CHADMN Cc1ccc(F)cc1NC(=O)[C@H](C)N1CC(C)(C)C[C@@H]1C ZINC000412046185 1127892275 /nfs/dbraw/zinc/89/22/75/1127892275.db2.gz QOUDFQUNKAZXPF-STQMWFEESA-N 0 1 292.398 3.582 20 0 CHADMN C[C@@H](CCSc1ccccc1)N[C@@H](C)c1csnn1 ZINC000412047248 1127892922 /nfs/dbraw/zinc/89/29/22/1127892922.db2.gz VKNCCUKPXGNRQE-RYUDHWBXSA-N 0 1 293.461 3.760 20 0 CHADMN COc1cccc(CN(C)Cc2cc(C)c(C)cc2OC)c1 ZINC001238762288 1131241642 /nfs/dbraw/zinc/24/16/42/1131241642.db2.gz GCLPRDVDRAVZHY-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN CC[C@H]1CCC[C@@H]1NCc1ncc(C(C)(C)C)o1 ZINC000429772737 1127904677 /nfs/dbraw/zinc/90/46/77/1127904677.db2.gz XTKZLZBHCCAZCR-RYUDHWBXSA-N 0 1 250.386 3.640 20 0 CHADMN COc1cccc([C@H]2C[C@@H](C)CN2Cc2cc(C)no2)c1 ZINC000374591627 1127906222 /nfs/dbraw/zinc/90/62/22/1127906222.db2.gz FAYDGNLNMVAENT-SJKOYZFVSA-N 0 1 286.375 3.575 20 0 CHADMN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1CC1CC1 ZINC000428773404 1127907127 /nfs/dbraw/zinc/90/71/27/1127907127.db2.gz QSXKNHACTRODTE-ABAIWWIYSA-N 0 1 299.336 3.877 20 0 CHADMN C[C@H]1CC[N@H+](Cc2cccc([O-])c2Cl)[C@@H](C)C1 ZINC000328494364 1127907201 /nfs/dbraw/zinc/90/72/01/1127907201.db2.gz UAJDSOKEHAPWRP-QWRGUYRKSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cccc([O-])c2Cl)[C@@H](C)C1 ZINC000328494364 1127907202 /nfs/dbraw/zinc/90/72/02/1127907202.db2.gz UAJDSOKEHAPWRP-QWRGUYRKSA-N 0 1 253.773 3.666 20 0 CHADMN CC1(C)[C@H](C(F)(F)F)CCN1Cc1n[nH]c2ccccc21 ZINC000682557008 1127902358 /nfs/dbraw/zinc/90/23/58/1127902358.db2.gz PHDYDXRWAPJDHP-CYBMUJFWSA-N 0 1 297.324 3.726 20 0 CHADMN Clc1ccccc1C1=CCN(C[C@@H]2CCCCO2)CC1 ZINC000509450552 1127902440 /nfs/dbraw/zinc/90/24/40/1127902440.db2.gz KCPLXDSQSZAYQT-HNNXBMFYSA-N 0 1 291.822 3.998 20 0 CHADMN CC(C)(CC(F)F)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000412339447 1127907426 /nfs/dbraw/zinc/90/74/26/1127907426.db2.gz BZJNHOQNKCGQAO-UHFFFAOYSA-N 0 1 295.688 3.805 20 0 CHADMN Cc1nocc1CNCc1ccc(C(C)(C)C)s1 ZINC000397877867 1127911380 /nfs/dbraw/zinc/91/13/80/1127911380.db2.gz KWNGCIZKUVFCRY-UHFFFAOYSA-N 0 1 264.394 3.632 20 0 CHADMN [O-]c1cnc(Cl)cc1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001233034638 1127912157 /nfs/dbraw/zinc/91/21/57/1127912157.db2.gz OSFHPWZFXYVRMM-WCQYABFASA-N 0 1 280.799 3.595 20 0 CHADMN CCC[C@@H](C)N(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000535373733 1127913793 /nfs/dbraw/zinc/91/37/93/1127913793.db2.gz VZRJQMLGPHWONN-GFCCVEGCSA-N 0 1 277.412 3.718 20 0 CHADMN Oc1cccc(CN2CCC(c3cccs3)CC2)c1F ZINC001233052956 1127915595 /nfs/dbraw/zinc/91/55/95/1127915595.db2.gz FCKWPSNCTHJLTC-UHFFFAOYSA-N 0 1 291.391 3.972 20 0 CHADMN CCC(CC)[C@H](C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000535589201 1127920929 /nfs/dbraw/zinc/92/09/29/1127920929.db2.gz DEFPBFVWOJWUES-GXTWGEPZSA-N 0 1 296.480 3.539 20 0 CHADMN CCc1cc(OC)ccc1CN(C)CCC(F)(F)F ZINC000503952011 1127920982 /nfs/dbraw/zinc/92/09/82/1127920982.db2.gz HOYLXPORVANINX-UHFFFAOYSA-N 0 1 275.314 3.642 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1cn(C)nc1C(C)(C)C ZINC000539405149 1127922144 /nfs/dbraw/zinc/92/21/44/1127922144.db2.gz OLJUZBAFOSCBAU-CQSZACIVSA-N 0 1 297.446 3.837 20 0 CHADMN C[C@@H](N[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C)c1ccsc1 ZINC000669828801 1127927548 /nfs/dbraw/zinc/92/75/48/1127927548.db2.gz RWTKBSGGXVVXNO-RQJABVFESA-N 0 1 294.464 3.577 20 0 CHADMN C[C@H](NCc1cnc([C@@H]2CCCO2)s1)c1ccsc1 ZINC000669830956 1127930272 /nfs/dbraw/zinc/93/02/72/1127930272.db2.gz FJGJBJGEFSQKFA-GWCFXTLKSA-N 0 1 294.445 3.907 20 0 CHADMN C[C@@H]1CCCC[C@]1(C)NCc1nc(Cc2ccccc2)no1 ZINC000308692363 1127931281 /nfs/dbraw/zinc/93/12/81/1127931281.db2.gz ASZFXOPHOFXBSS-KDOFPFPSSA-N 0 1 299.418 3.719 20 0 CHADMN Cc1nc([C@H](C)Sc2nc3ccc(Cl)cc3o2)n[nH]1 ZINC000412985665 1127935224 /nfs/dbraw/zinc/93/52/24/1127935224.db2.gz SLRPTTAPQUUNFP-LURJTMIESA-N 0 1 294.767 3.761 20 0 CHADMN Cc1nc([C@@H](C)SC[C@H](C)c2ccccc2)n[nH]1 ZINC000413008092 1127939107 /nfs/dbraw/zinc/93/91/07/1127939107.db2.gz WKSZAVXYSSNYFE-WDEREUQCSA-N 0 1 261.394 3.711 20 0 CHADMN Fc1ccc(C2CCN(Cc3ccc(F)nc3)CC2)cc1 ZINC000375289503 1127940163 /nfs/dbraw/zinc/94/01/63/1127940163.db2.gz YTHGJOMIMQPONR-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN CC[C@H](C(=O)N(Cc1ccccc1)c1ccccc1)N(C)C ZINC000413193798 1127945583 /nfs/dbraw/zinc/94/55/83/1127945583.db2.gz AGBBRVZBMAIEHN-GOSISDBHSA-N 0 1 296.414 3.560 20 0 CHADMN Clc1ccc(CN2CCC[C@H]2Cc2ccccn2)o1 ZINC001233316553 1127947343 /nfs/dbraw/zinc/94/73/43/1127947343.db2.gz NQXVNKVSSYXGMM-ZDUSSCGKSA-N 0 1 276.767 3.535 20 0 CHADMN c1ccc([C@@H]2C[C@@H]2CN2CCOC[C@@H]2c2ccccc2)cc1 ZINC000539851975 1127949102 /nfs/dbraw/zinc/94/91/02/1127949102.db2.gz YNZWWLURWDTHSQ-HSALFYBXSA-N 0 1 293.410 3.864 20 0 CHADMN C[C@H]1CCCC[C@H]1OCCN(C)Cc1cc(Cl)cn1C ZINC000466958419 1127951017 /nfs/dbraw/zinc/95/10/17/1127951017.db2.gz VITPXJCPVVCIHM-XJKSGUPXSA-N 0 1 298.858 3.706 20 0 CHADMN FCCC[C@@H]1CCC[C@H]1Nc1cnn(-c2ccncc2)c1 ZINC000669849051 1127953355 /nfs/dbraw/zinc/95/33/55/1127953355.db2.gz GRZATVIZAZUGSQ-XJKSGUPXSA-N 0 1 288.370 3.598 20 0 CHADMN C[C@@H](N[C@H]1COc2ccc(F)cc21)c1ccccc1 ZINC000467003458 1127953666 /nfs/dbraw/zinc/95/36/66/1127953666.db2.gz PHFAMHXOYJUYKT-ABAIWWIYSA-N 0 1 257.308 3.610 20 0 CHADMN COC[C@@H]1CCCN1Cc1c(Cl)cccc1SC ZINC001233350547 1127953993 /nfs/dbraw/zinc/95/39/93/1127953993.db2.gz KWDWNHBZDKMCBM-NSHDSACASA-N 0 1 285.840 3.673 20 0 CHADMN Fc1ccc(C[N@H+]2CCCC[C@H]2c2ccccc2)nc1 ZINC000346566080 1127957686 /nfs/dbraw/zinc/95/76/86/1127957686.db2.gz MUEHAEALFSJXKF-KRWDZBQOSA-N 0 1 270.351 3.948 20 0 CHADMN Fc1ccc(CN2CCCC[C@H]2c2ccccc2)nc1 ZINC000346566080 1127957688 /nfs/dbraw/zinc/95/76/88/1127957688.db2.gz MUEHAEALFSJXKF-KRWDZBQOSA-N 0 1 270.351 3.948 20 0 CHADMN Cc1ccc(-c2noc(CN(C)C[C@@H]3CC=CCC3)n2)cc1 ZINC000544108173 1127957883 /nfs/dbraw/zinc/95/78/83/1127957883.db2.gz YUZBEVPLUCJKSA-OAHLLOKOSA-N 0 1 297.402 3.833 20 0 CHADMN Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)CC(C)(C)C2)c1C ZINC000544106412 1127958240 /nfs/dbraw/zinc/95/82/40/1127958240.db2.gz JPVGODCMRUIECC-ZDUSSCGKSA-N 0 1 288.435 3.610 20 0 CHADMN Cc1cccc(NC(=O)CN2C[C@@H](C)CC(C)(C)C2)c1C ZINC000544106412 1127958242 /nfs/dbraw/zinc/95/82/42/1127958242.db2.gz JPVGODCMRUIECC-ZDUSSCGKSA-N 0 1 288.435 3.610 20 0 CHADMN CSc1ccc(NC(=O)CN2[C@H](C)CCC[C@@H]2C)cc1 ZINC000467205498 1127958788 /nfs/dbraw/zinc/95/87/88/1127958788.db2.gz GPAVQDXDPWHXLP-BETUJISGSA-N 0 1 292.448 3.610 20 0 CHADMN Cc1ccc(-c2nnc(CN3C[C@@H](C)CC(C)(C)C3)o2)cc1 ZINC000544115738 1127959515 /nfs/dbraw/zinc/95/95/15/1127959515.db2.gz ATGQJJAOGOTRRB-AWEZNQCLSA-N 0 1 299.418 3.913 20 0 CHADMN O=C(C[C@H]1CC=CCC1)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001288564972 1127960890 /nfs/dbraw/zinc/96/08/90/1127960890.db2.gz ICUXOTPDPARXRL-JTQLQIEISA-N 0 1 289.766 3.901 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c(C)c1 ZINC000540140419 1127962395 /nfs/dbraw/zinc/96/23/95/1127962395.db2.gz OZZQURURLMHAFT-KGLIPLIRSA-N 0 1 286.423 3.957 20 0 CHADMN C[C@H](NCCOc1ccc(F)cc1)c1c(F)cccc1F ZINC000540324283 1127975330 /nfs/dbraw/zinc/97/53/30/1127975330.db2.gz BCFFZNAAURFBRL-NSHDSACASA-N 0 1 295.304 3.834 20 0 CHADMN C[C@@H](NCCN(C)c1ccccc1)c1c(F)cccc1F ZINC000540325383 1127975441 /nfs/dbraw/zinc/97/54/41/1127975441.db2.gz KMYVBWVSFQSVQE-CYBMUJFWSA-N 0 1 290.357 3.752 20 0 CHADMN CCc1ccc(-c2noc([C@@H](C)NCC3CCC3)n2)cc1 ZINC000544514809 1127976485 /nfs/dbraw/zinc/97/64/85/1127976485.db2.gz AMIQOEBSQWHRGA-GFCCVEGCSA-N 0 1 285.391 3.750 20 0 CHADMN Cc1noc([C@@H](C)NCCCc2cccc3ccccc32)n1 ZINC000544477071 1127977829 /nfs/dbraw/zinc/97/78/29/1127977829.db2.gz IYLQTPALIMNBJX-CYBMUJFWSA-N 0 1 295.386 3.815 20 0 CHADMN CC[C@]1(C)CCN([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000468108677 1127992031 /nfs/dbraw/zinc/99/20/31/1127992031.db2.gz FYJNGFUBHZGCJI-CXAGYDPISA-N 0 1 285.391 3.920 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CC[C@](C)(CC)C1 ZINC000468124198 1127993179 /nfs/dbraw/zinc/99/31/79/1127993179.db2.gz MNDJLAVKDDHUHU-KRWDZBQOSA-N 0 1 289.398 3.817 20 0 CHADMN CC[C@H](Oc1n[nH]c(=O)cc1Cl)c1ccccc1F ZINC001233589730 1127994613 /nfs/dbraw/zinc/99/46/13/1127994613.db2.gz LZTPXVOCGSCLMV-NSHDSACASA-N 0 1 282.702 3.505 20 0 CHADMN CC1=C(c2nc(-c3cc4nc[nH]c4c(C)c3)no2)CCC1 ZINC000544995885 1127996021 /nfs/dbraw/zinc/99/60/21/1127996021.db2.gz WJFAKXAYVVSEGX-UHFFFAOYSA-N 0 1 280.331 3.879 20 0 CHADMN C[C@@H](NC1CC(OCc2ccccc2)C1)c1cscn1 ZINC000545207188 1128004117 /nfs/dbraw/zinc/00/41/17/1128004117.db2.gz QBGWECYPNZFXGZ-LRVUVFPRSA-N 0 1 288.416 3.542 20 0 CHADMN C[C@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1(C)C ZINC000545429383 1128014178 /nfs/dbraw/zinc/01/41/78/1128014178.db2.gz ZUTBGCPCWRTCOT-ZDUSSCGKSA-N 0 1 297.402 3.585 20 0 CHADMN C[C@@H]1CN([C@@H]2CCc3ccc(Cl)cc32)CCS1 ZINC000541348129 1128018982 /nfs/dbraw/zinc/01/89/82/1128018982.db2.gz LMDVQSQEXMEZMA-QMTHXVAHSA-N 0 1 267.825 3.765 20 0 CHADMN CN(Cc1ccn(-c2ccc(F)cc2)n1)C[C@H]1CC=CCC1 ZINC000541315455 1128016965 /nfs/dbraw/zinc/01/69/65/1128016965.db2.gz GUDJAYQDXYHUTL-HNNXBMFYSA-N 0 1 299.393 3.800 20 0 CHADMN Fc1cc(F)c2c(c1)CN(CCc1ccccc1)CC2 ZINC000468940927 1128028405 /nfs/dbraw/zinc/02/84/05/1128028405.db2.gz JHBOHWCZJUHGIT-UHFFFAOYSA-N 0 1 273.326 3.566 20 0 CHADMN Cc1cc(-c2noc(-c3ccccc3C)n2)cc2nc[nH]c21 ZINC000545725824 1128030817 /nfs/dbraw/zinc/03/08/17/1128030817.db2.gz ZRXVCPYRAFEZDL-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN CC(C)c1ccc(CN(C)Cc2ccc(F)cn2)cc1 ZINC000469128012 1128035924 /nfs/dbraw/zinc/03/59/24/1128035924.db2.gz YWTPKNPQYXPROH-UHFFFAOYSA-N 0 1 272.367 3.976 20 0 CHADMN COc1c(C)cnc(CN(C)C/C=C/c2ccccc2)c1C ZINC000541764072 1128037188 /nfs/dbraw/zinc/03/71/88/1128037188.db2.gz MAPKCSMOVVDLNF-DHZHZOJOSA-N 0 1 296.414 3.852 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000232743906 1128039407 /nfs/dbraw/zinc/03/94/07/1128039407.db2.gz UIUYPHIDPSVMIZ-QAPCUYQASA-N 0 1 289.419 3.613 20 0 CHADMN CC[C@@H](C)CN(CC)[C@H](C)c1nnnn1C1CCCCC1 ZINC000469713178 1128050223 /nfs/dbraw/zinc/05/02/23/1128050223.db2.gz MNAKXNHUYGPELW-ZIAGYGMSSA-N 0 1 293.459 3.607 20 0 CHADMN CO[C@@H]1[C@H](C)[C@@H](N[C@H](C)c2csc(C(C)C)n2)C1(C)C ZINC000469783070 1128053414 /nfs/dbraw/zinc/05/34/14/1128053414.db2.gz JEVLWMIOJFWMCY-HBJVGIJOSA-N 0 1 296.480 3.977 20 0 CHADMN Cc1ccc(C)c(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)c1 ZINC000470338958 1128069642 /nfs/dbraw/zinc/06/96/42/1128069642.db2.gz XIHAMWSDSKFGGR-UHFFFAOYSA-N 0 1 299.418 3.596 20 0 CHADMN CC(C)N(C(=O)CN[C@H](C)c1ccsc1)C1CCCC1 ZINC000669938654 1128076488 /nfs/dbraw/zinc/07/64/88/1128076488.db2.gz UHRFYRJWBOUADA-CYBMUJFWSA-N 0 1 294.464 3.578 20 0 CHADMN Cc1ccnc(NC[C@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000470516455 1128072775 /nfs/dbraw/zinc/07/27/75/1128072775.db2.gz QZOONYNZJQVNFC-SJLPKXTDSA-N 0 1 282.387 3.970 20 0 CHADMN Cc1ccc(C(=O)CCN2CC[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC000470947054 1128082956 /nfs/dbraw/zinc/08/29/56/1128082956.db2.gz MTABPWMVNGIPMU-OCCSQVGLSA-N 0 1 299.336 3.841 20 0 CHADMN CC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(C(C)C)[nH]n1 ZINC000174025298 1128096543 /nfs/dbraw/zinc/09/65/43/1128096543.db2.gz MEKDBZKVVZZEKE-OAHLLOKOSA-N 0 1 299.418 3.626 20 0 CHADMN COc1ccc(-c2cnc(CN3CCC(C)(C)C3)o2)cc1 ZINC000174253992 1128099316 /nfs/dbraw/zinc/09/93/16/1128099316.db2.gz UAGUSTPZHQRBDE-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN CC1(C)CCN(Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000174249883 1128099476 /nfs/dbraw/zinc/09/94/76/1128099476.db2.gz OQKXXEAOKFKEHS-UHFFFAOYSA-N 0 1 292.329 3.852 20 0 CHADMN Cc1nc[nH]c1C(=O)Nc1ccccc1NC1CCCCC1 ZINC000913946195 1128103414 /nfs/dbraw/zinc/10/34/14/1128103414.db2.gz LFBPORQWSPDGKW-UHFFFAOYSA-N 0 1 298.390 3.715 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc2c1OCO2)c1ccccc1 ZINC000924543162 1128103556 /nfs/dbraw/zinc/10/35/56/1128103556.db2.gz QAMCONGSLHVXEQ-STQMWFEESA-N 0 1 269.344 3.827 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccccc1)c1cccc(OC)n1 ZINC000924543177 1128103822 /nfs/dbraw/zinc/10/38/22/1128103822.db2.gz QEXYYYHPZAEHRW-UKRRQHHQSA-N 0 1 270.376 3.892 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccnnc1 ZINC000924543761 1128103960 /nfs/dbraw/zinc/10/39/60/1128103960.db2.gz RRJZRPDQHGLSJF-WDEREUQCSA-N 0 1 261.756 3.542 20 0 CHADMN C[C@H](N[C@@H]1CCOc2ccccc21)c1ccnn1C1CCC1 ZINC000924564438 1128105145 /nfs/dbraw/zinc/10/51/45/1128105145.db2.gz QSRVTPKKGBZGJI-XJKSGUPXSA-N 0 1 297.402 3.783 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3ccc(C)cc32)sn1 ZINC000404374526 1128105578 /nfs/dbraw/zinc/10/55/78/1128105578.db2.gz JNHSVYMIFQZJAA-OAHLLOKOSA-N 0 1 258.390 3.537 20 0 CHADMN COCc1ccc(CN[C@H](C)c2ccnn2C2CCC2)cc1 ZINC000924608854 1128107417 /nfs/dbraw/zinc/10/74/17/1128107417.db2.gz DYSFJGZVODFHCP-CQSZACIVSA-N 0 1 299.418 3.605 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2occc21)c1cccc2c1OCO2 ZINC000924642103 1128109184 /nfs/dbraw/zinc/10/91/84/1128109184.db2.gz AKTCTGLREABZTE-BXUZGUMPSA-N 0 1 285.343 3.737 20 0 CHADMN C[C@@H](NCc1ccsc1)c1cnn(C2CCC2)c1 ZINC000924664896 1128109347 /nfs/dbraw/zinc/10/93/47/1128109347.db2.gz HAPLQVYXKLNYHL-LLVKDONJSA-N 0 1 261.394 3.520 20 0 CHADMN C[C@@H](NCc1ccc(Cl)nc1)c1ccnn1C1CCC1 ZINC000924713223 1128110826 /nfs/dbraw/zinc/11/08/26/1128110826.db2.gz NYRGEPIBYAVCTJ-LLVKDONJSA-N 0 1 290.798 3.507 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@@H](C)c1ccnnc1 ZINC000924722075 1128111555 /nfs/dbraw/zinc/11/15/55/1128111555.db2.gz FMKZJFVECQLTJL-SWLSCSKDSA-N 0 1 285.391 3.742 20 0 CHADMN Cc1c2cc(F)ccc2oc1CN[C@H](C)c1ccnnc1 ZINC000924787289 1128113182 /nfs/dbraw/zinc/11/31/82/1128113182.db2.gz WDUNEVGCCJKJRC-LLVKDONJSA-N 0 1 285.322 3.521 20 0 CHADMN CCN(C)c1ccccc1CN[C@@H](C)c1c(C)noc1C ZINC000924996010 1128118950 /nfs/dbraw/zinc/11/89/50/1128118950.db2.gz LXFZAJKPEPXLNO-LBPRGKRZSA-N 0 1 287.407 3.598 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2NCCc1ccccc1Cl ZINC000924854535 1128115396 /nfs/dbraw/zinc/11/53/96/1128115396.db2.gz UQRPACJGBWYGBJ-CQSZACIVSA-N 0 1 290.794 3.846 20 0 CHADMN Oc1cccc(CN[C@H]2CCCc3c(Cl)ccnc32)c1 ZINC000924898745 1128115959 /nfs/dbraw/zinc/11/59/59/1128115959.db2.gz AMGJKTRNHJQPCH-HNNXBMFYSA-N 0 1 288.778 3.608 20 0 CHADMN FC(F)(F)[C@@H]1CCC[C@H](CN2CC[C@@H]2c2ccccc2)O1 ZINC000929789222 1128116811 /nfs/dbraw/zinc/11/68/11/1128116811.db2.gz QWFPMEMGHNNJAV-KFWWJZLASA-N 0 1 299.336 3.933 20 0 CHADMN CC[C@H](N[C@H]1CCc2c1cccc2O)c1cccc(OC)n1 ZINC000924967629 1128117878 /nfs/dbraw/zinc/11/78/78/1128117878.db2.gz NFGFOCXZMLXSQG-GJZGRUSLSA-N 0 1 298.386 3.524 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc2ccccc2s1)c1cc[nH]c(=O)c1 ZINC000925074362 1128120712 /nfs/dbraw/zinc/12/07/12/1128120712.db2.gz VXESLHKEALLMMS-MNOVXSKESA-N 0 1 299.399 3.809 20 0 CHADMN FC(F)Oc1cccc(CN2CC[C@@H](C(F)(F)F)C2)c1 ZINC000761044126 1128121796 /nfs/dbraw/zinc/12/17/96/1128121796.db2.gz IELJCKTWUHOVGL-SNVBAGLBSA-N 0 1 295.251 3.672 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnn(C2CCC2)c1)c1ccncc1 ZINC000925128718 1128123163 /nfs/dbraw/zinc/12/31/63/1128123163.db2.gz GGDXLSHYFDZQIV-CXAGYDPISA-N 0 1 284.407 3.805 20 0 CHADMN COc1ccc([C@@H](C)CCN[C@@H](C)c2ncco2)cc1 ZINC000925143421 1128123609 /nfs/dbraw/zinc/12/36/09/1128123609.db2.gz ZWWKUTFVASJTED-STQMWFEESA-N 0 1 274.364 3.528 20 0 CHADMN COc1cc([C@H](C)NC[C@@H](C)Sc2ccccc2)on1 ZINC000925164883 1128124469 /nfs/dbraw/zinc/12/44/69/1128124469.db2.gz XLQMDIMOHQDKCN-NEPJUHHUSA-N 0 1 292.404 3.515 20 0 CHADMN COc1ccccc1C[C@@H](N[C@H](C)c1ncco1)C(C)C ZINC000925214157 1128125820 /nfs/dbraw/zinc/12/58/20/1128125820.db2.gz HNQZWPMXTMETGU-UKRRQHHQSA-N 0 1 288.391 3.601 20 0 CHADMN CC(C)[C@H](C(=O)O[C@@H](C)c1cc2ccccc2o1)N(C)C ZINC000798858981 1128126998 /nfs/dbraw/zinc/12/69/98/1128126998.db2.gz XNHFCKZCCHNENL-BLLLJJGKSA-N 0 1 289.375 3.623 20 0 CHADMN CC(C)c1csc(CN[C@@H](C)C2(Cl)CC2)n1 ZINC000925282997 1128127513 /nfs/dbraw/zinc/12/75/13/1128127513.db2.gz MROKHBNYZCVWIN-VIFPVBQESA-N 0 1 258.818 3.516 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2ccc(CF)cc2)on1 ZINC000777558209 1128128149 /nfs/dbraw/zinc/12/81/49/1128128149.db2.gz TTYMMCTUCZLODR-HNNXBMFYSA-N 0 1 274.339 3.790 20 0 CHADMN CC(C)c1ccc([C@H](N[C@H]2CCOC2)c2cccnc2)cc1 ZINC000925617023 1128133988 /nfs/dbraw/zinc/13/39/88/1128133988.db2.gz PFDZYAHIBOUPDX-OALUTQOASA-N 0 1 296.414 3.673 20 0 CHADMN CCN(c1ccc(N[C@H](C)c2ccnnc2)cc1)C(C)C ZINC000925735792 1128138730 /nfs/dbraw/zinc/13/87/30/1128138730.db2.gz XTKYKFVVSOLXEG-CQSZACIVSA-N 0 1 284.407 3.884 20 0 CHADMN C[C@@H](NC[C@]1(C)CCCc2ccccc21)c1ncco1 ZINC000925685079 1128137202 /nfs/dbraw/zinc/13/72/02/1128137202.db2.gz FNPMVHVXHHELJP-DYVFJYSZSA-N 0 1 270.376 3.619 20 0 CHADMN COc1c(O)cccc1CNC(C)(C)c1cccc(C)c1 ZINC000493641269 1128146158 /nfs/dbraw/zinc/14/61/58/1128146158.db2.gz MDJOVICNDCKINT-UHFFFAOYSA-N 0 1 285.387 3.734 20 0 CHADMN FC1(F)CC[C@H](N[C@@H]2COCc3cccc(Cl)c32)C1 ZINC000925929075 1128146684 /nfs/dbraw/zinc/14/66/84/1128146684.db2.gz JCQQJGKKYVSRHB-CMPLNLGQSA-N 0 1 287.737 3.689 20 0 CHADMN C[C@@H]1C[C@@H]1CN[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000542475121 1128158302 /nfs/dbraw/zinc/15/83/02/1128158302.db2.gz QITSYOSXIRISMB-NDGTYSDOSA-N 0 1 288.341 3.695 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccco1)c1cc2ccccc2[nH]1 ZINC000926198192 1128159594 /nfs/dbraw/zinc/15/95/94/1128159594.db2.gz UDBNEYGNGUCEPR-WFASDCNBSA-N 0 1 284.359 3.535 20 0 CHADMN Cc1ccc(CNCc2ccc3ncccc3c2)c(Cl)n1 ZINC001203496483 1128161300 /nfs/dbraw/zinc/16/13/00/1128161300.db2.gz HUUWDAVSCUDRPK-UHFFFAOYSA-N 0 1 297.789 3.881 20 0 CHADMN CCC[C@H](NC[C@H]1CCC=CO1)c1ncccc1Cl ZINC000926230651 1128161614 /nfs/dbraw/zinc/16/16/14/1128161614.db2.gz GIYZFGCKISLYFU-OCCSQVGLSA-N 0 1 280.799 3.859 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](N[C@@H](C)c1cn(C)cn1)CC2 ZINC000926227949 1128161654 /nfs/dbraw/zinc/16/16/54/1128161654.db2.gz WZIFASBDRHDISD-GUYCJALGSA-N 0 1 283.419 3.882 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H](CC(F)(F)F)C(C)C ZINC000926238106 1128162558 /nfs/dbraw/zinc/16/25/58/1128162558.db2.gz VXNACTWQOGWXIZ-WDEREUQCSA-N 0 1 290.329 3.927 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnnc1)c1cc2ccccc2o1 ZINC000926245145 1128163093 /nfs/dbraw/zinc/16/30/93/1128163093.db2.gz RXVPNBPBCTVQTJ-NWDGAFQWSA-N 0 1 267.332 3.635 20 0 CHADMN FC(F)(CN[C@H](C1CCC1)[C@@H]1CCOC1)c1ccccc1 ZINC000926258029 1128163894 /nfs/dbraw/zinc/16/38/94/1128163894.db2.gz DZMBWANRGKIDJL-GDBMZVCRSA-N 0 1 295.373 3.573 20 0 CHADMN CSC1CC(N[C@@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000926308061 1128166338 /nfs/dbraw/zinc/16/63/38/1128166338.db2.gz DNBJAJSZWRPHME-KKMMWDRVSA-N 0 1 296.383 3.707 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1cnoc1C ZINC000494262805 1128168370 /nfs/dbraw/zinc/16/83/70/1128168370.db2.gz RSVFYTHUOSUYPF-UKTHLTGXSA-N 0 1 256.349 3.518 20 0 CHADMN COc1cc(C[N@@H+](C)C/C(C)=C\c2ccccc2)ccn1 ZINC000494286746 1128168656 /nfs/dbraw/zinc/16/86/56/1128168656.db2.gz CFVZNUZTYWGDCN-PTNGSMBKSA-N 0 1 282.387 3.626 20 0 CHADMN COc1cc(CN(C)C/C(C)=C\c2ccccc2)ccn1 ZINC000494286746 1128168658 /nfs/dbraw/zinc/16/86/58/1128168658.db2.gz CFVZNUZTYWGDCN-PTNGSMBKSA-N 0 1 282.387 3.626 20 0 CHADMN COC(=O)c1coc(C[N@@H+](C)C/C(C)=C\c2ccccc2)c1 ZINC000494268371 1128169055 /nfs/dbraw/zinc/16/90/55/1128169055.db2.gz ODPGAHVFAOFRRO-ZROIWOOFSA-N 0 1 299.370 3.602 20 0 CHADMN COC(=O)c1coc(CN(C)C/C(C)=C\c2ccccc2)c1 ZINC000494268371 1128169056 /nfs/dbraw/zinc/16/90/56/1128169056.db2.gz ODPGAHVFAOFRRO-ZROIWOOFSA-N 0 1 299.370 3.602 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnnn1-c1ccccc1)c1ccsc1 ZINC000926370832 1128170300 /nfs/dbraw/zinc/17/03/00/1128170300.db2.gz VJFQOKBPCHEPMJ-OLZOCXBDSA-N 0 1 298.415 3.741 20 0 CHADMN C(=C/c1ccncc1)\CN1CC[C@H]1c1ccccc1 ZINC000494367321 1128170827 /nfs/dbraw/zinc/17/08/27/1128170827.db2.gz JCVRXLWEBPLABU-BDUNBXCCSA-N 0 1 250.345 3.542 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccc(Cl)cc1)c1ccns1 ZINC000926429433 1128171504 /nfs/dbraw/zinc/17/15/04/1128171504.db2.gz ZRFBQNZNVNRZSL-GWCFXTLKSA-N 0 1 296.823 3.571 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)c2ccccc21)c1cnnn1C ZINC000926431558 1128171908 /nfs/dbraw/zinc/17/19/08/1128171908.db2.gz IOJDNGOGUYFGBV-VXGBXAGGSA-N 0 1 298.365 3.519 20 0 CHADMN Fc1cc(Cl)ccc1CNCc1cccc2c[nH]nc21 ZINC000494412339 1128172786 /nfs/dbraw/zinc/17/27/86/1128172786.db2.gz BKXCFUKRKHMMAJ-UHFFFAOYSA-N 0 1 289.741 3.645 20 0 CHADMN C[C@H](NC[C@@H](c1ccccc1)C1CC1)c1ncco1 ZINC000926478337 1128173945 /nfs/dbraw/zinc/17/39/45/1128173945.db2.gz KAOJBHKGIKBKLS-WFASDCNBSA-N 0 1 256.349 3.519 20 0 CHADMN C[C@@H](NCc1ccc(C2CCCCC2)cc1)c1cnnn1C ZINC000926481871 1128174876 /nfs/dbraw/zinc/17/48/76/1128174876.db2.gz UQIXRQNRORKHNQ-CQSZACIVSA-N 0 1 298.434 3.714 20 0 CHADMN C[C@@H]1C[C@@H](NC2CC(Sc3ccccc3)C2)c2nccn21 ZINC000926532309 1128179146 /nfs/dbraw/zinc/17/91/46/1128179146.db2.gz LCUKPEQPUSGPMZ-FKFRUQKQSA-N 0 1 299.443 3.802 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H]1CCc2cccc(C)c21 ZINC000926530699 1128179164 /nfs/dbraw/zinc/17/91/64/1128179164.db2.gz CBJALVJHAQLVDJ-HIFRSBDPSA-N 0 1 269.392 3.550 20 0 CHADMN COc1ccnc([C@H](C)N[C@H](C)c2cccc(C)c2)c1 ZINC000926555451 1128180636 /nfs/dbraw/zinc/18/06/36/1128180636.db2.gz OGMHKGQDLWEAHQ-KGLIPLIRSA-N 0 1 270.376 3.810 20 0 CHADMN CCC[C@H](NC[C@H]1CC[C@H](C)O1)c1ncccc1Cl ZINC000926560719 1128180726 /nfs/dbraw/zinc/18/07/26/1128180726.db2.gz VSHSQRLNJFDDDH-SCRDCRAPSA-N 0 1 282.815 3.733 20 0 CHADMN COc1cccc2cc([C@@H](C)N[C@H](C)c3cn[nH]c3)oc21 ZINC000224764020 1128182699 /nfs/dbraw/zinc/18/26/99/1128182699.db2.gz OKIVPZUNGBZQFL-GHMZBOCLSA-N 0 1 285.347 3.576 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccnn1C1CCC1 ZINC000926586541 1128182866 /nfs/dbraw/zinc/18/28/66/1128182866.db2.gz CBCXXNWFKUCDJP-MRVWCRGKSA-N 0 1 265.376 3.539 20 0 CHADMN C[C@H](NCC1(c2ccccc2F)CCC1)c1ncco1 ZINC000926646254 1128186191 /nfs/dbraw/zinc/18/61/91/1128186191.db2.gz WDEBGHJVRLOZMZ-LBPRGKRZSA-N 0 1 274.339 3.586 20 0 CHADMN C[C@H](N[C@@H]1COC2(CCC2)C1)c1cc(-c2ccccc2)no1 ZINC000926696069 1128188454 /nfs/dbraw/zinc/18/84/54/1128188454.db2.gz GMWGLWJMOBMUCA-ZFWWWQNUSA-N 0 1 298.386 3.704 20 0 CHADMN COc1ccnc([C@@H](C)N[C@H]2c3cc(C)ccc3C[C@@H]2C)c1 ZINC000926714583 1128189636 /nfs/dbraw/zinc/18/96/36/1128189636.db2.gz NXVCNNZTMVUJOM-IQUTYRLHSA-N 0 1 296.414 3.983 20 0 CHADMN C[C@H](N[C@H]1CCCc2ccc(Cl)cc21)c1cn(C)cn1 ZINC000926769811 1128192633 /nfs/dbraw/zinc/19/26/33/1128192633.db2.gz POJMKVHRCSIPJM-NHYWBVRUSA-N 0 1 289.810 3.802 20 0 CHADMN C[C@@H](NCCc1c[nH]c2c1cccc2Cl)c1ncco1 ZINC000926774313 1128193512 /nfs/dbraw/zinc/19/35/12/1128193512.db2.gz LHVNXXXDAQKMRX-SNVBAGLBSA-N 0 1 289.766 3.703 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](C)c2cccc3c2OCO3)s1 ZINC000926786616 1128194012 /nfs/dbraw/zinc/19/40/12/1128194012.db2.gz PQNBKEOSVZDFGK-VHSXEESVSA-N 0 1 290.388 3.592 20 0 CHADMN CS[C@H]1C[C@H](N[C@@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000926789939 1128195081 /nfs/dbraw/zinc/19/50/81/1128195081.db2.gz GZPWBUGNDUQTTR-BQFCYCMXSA-N 0 1 298.455 3.963 20 0 CHADMN C[C@@H](Nc1ccc(CN(C)C)c(F)c1)C(C)(C)C ZINC000777699688 1128247430 /nfs/dbraw/zinc/24/74/30/1128247430.db2.gz FAJODODCSXBZJM-LLVKDONJSA-N 0 1 252.377 3.734 20 0 CHADMN Cc1noc(C(C)C)c1NC(=O)c1ccc(O)c(Cl)c1 ZINC000928790175 1128250937 /nfs/dbraw/zinc/25/09/37/1128250937.db2.gz WLHBGVQSZFKFEW-UHFFFAOYSA-N 0 1 294.738 3.718 20 0 CHADMN C[C@H](NC[C@@H](O)c1ccccc1)c1nc2ccccc2s1 ZINC000035114548 1128256964 /nfs/dbraw/zinc/25/69/64/1128256964.db2.gz CDPPFADKFJMJMH-SWLSCSKDSA-N 0 1 298.411 3.681 20 0 CHADMN c1coc(CN(CCCc2cccnc2)Cc2ccco2)c1 ZINC000929092119 1128257338 /nfs/dbraw/zinc/25/73/38/1128257338.db2.gz PWYPQAMXBMXZIU-UHFFFAOYSA-N 0 1 296.370 3.903 20 0 CHADMN Cc1cccc(NC(=O)c2ccc(CN3CCCCC3)o2)c1 ZINC000929125773 1128259444 /nfs/dbraw/zinc/25/94/44/1128259444.db2.gz RXUMSCDJUSWQLZ-UHFFFAOYSA-N 0 1 298.386 3.826 20 0 CHADMN Cc1cc(CN(C)[C@H](C)c2ccc(Cl)cc2)c(C)nn1 ZINC000929172703 1128261585 /nfs/dbraw/zinc/26/15/85/1128261585.db2.gz SHZUJLHVLLAGNI-CYBMUJFWSA-N 0 1 289.810 3.940 20 0 CHADMN Cc1cc(C)nc(CN2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000929175150 1128262018 /nfs/dbraw/zinc/26/20/18/1128262018.db2.gz PIRPXDKWJSKOCW-UHFFFAOYSA-N 0 1 294.398 3.693 20 0 CHADMN C[C@H](N[C@@H]1CCc2cccc3cccc1c32)c1cn(C)cn1 ZINC000926879845 1128199949 /nfs/dbraw/zinc/19/99/49/1128199949.db2.gz MADGVIWHAZSKRX-SUMWQHHRSA-N 0 1 291.398 3.911 20 0 CHADMN C[C@@H](N[C@@H](c1ccccn1)C1CC1)c1ccnn1C1CCC1 ZINC000926895099 1128200179 /nfs/dbraw/zinc/20/01/79/1128200179.db2.gz DBVVUBLWENSHJS-FZKQIMNGSA-N 0 1 296.418 3.805 20 0 CHADMN COc1ccnc([C@H](C)N[C@H](C)c2ccc(F)cc2C)c1 ZINC000926900225 1128200915 /nfs/dbraw/zinc/20/09/15/1128200915.db2.gz XJNVLGVLZNKWCG-OLZOCXBDSA-N 0 1 288.366 3.950 20 0 CHADMN Cc1cnc(CN[C@@H](C)c2ccc(F)cc2C)c(C)c1 ZINC000926958712 1128206074 /nfs/dbraw/zinc/20/60/74/1128206074.db2.gz HBAZWULMEAUAOC-AWEZNQCLSA-N 0 1 272.367 3.997 20 0 CHADMN CCOc1ccc([C@H](C)NCc2ncc(C)cc2C)cc1 ZINC000926954464 1128206214 /nfs/dbraw/zinc/20/62/14/1128206214.db2.gz LHKLKTYDVSYPIO-HNNXBMFYSA-N 0 1 284.403 3.948 20 0 CHADMN Cc1csc([C@H](C)NC[C@@H]2CCCC3(CCC3)O2)n1 ZINC000927012385 1128208258 /nfs/dbraw/zinc/20/82/58/1128208258.db2.gz TXQPQVLCJXWCSM-STQMWFEESA-N 0 1 280.437 3.594 20 0 CHADMN CCC[C@@H](O)CCN[C@H](c1cccc(C)c1)c1ccccn1 ZINC000927025280 1128208928 /nfs/dbraw/zinc/20/89/28/1128208928.db2.gz XZUQGIPCJQZTOX-IEBWSBKVSA-N 0 1 298.430 3.620 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CCC(OC(C)(C)C)CC1 ZINC000929837223 1128210016 /nfs/dbraw/zinc/21/00/16/1128210016.db2.gz YHJLPINQNNPXDW-LBPRGKRZSA-N 0 1 280.387 3.561 20 0 CHADMN c1cnc2c(c1)CCC[C@H]2N[C@H]1CCCc2ncccc21 ZINC000927061150 1128212058 /nfs/dbraw/zinc/21/20/58/1128212058.db2.gz BWWFCOXHJUAPAK-DLBZAZTESA-N 0 1 279.387 3.521 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929270536 1128266179 /nfs/dbraw/zinc/26/61/79/1128266179.db2.gz OSMCJGDROYARKY-LCGIIJARSA-N 0 1 295.373 3.535 20 0 CHADMN C[C@H](N[C@H]1CCCc2cccnc21)c1cnn(C2CCC2)c1 ZINC000927062666 1128213148 /nfs/dbraw/zinc/21/31/48/1128213148.db2.gz NTVDGLIYUVGKAN-GUYCJALGSA-N 0 1 296.418 3.731 20 0 CHADMN Oc1cccc2c1CCC[C@@H]2N[C@@H]1CCCc2cccnc21 ZINC000927061838 1128213477 /nfs/dbraw/zinc/21/34/77/1128213477.db2.gz UBBTYAGKQXGUKL-DLBZAZTESA-N 0 1 294.398 3.832 20 0 CHADMN c1cncc([C@H](N[C@H]2CCCc3cccnc32)C2CCC2)c1 ZINC000927064001 1128213638 /nfs/dbraw/zinc/21/36/38/1128213638.db2.gz NMQRRYWLIROKIM-ZWKOTPCHSA-N 0 1 293.414 3.985 20 0 CHADMN CC[C@H](NCc1cc(C2CC2)n(C)n1)c1ccccc1 ZINC000927113746 1128219005 /nfs/dbraw/zinc/21/90/05/1128219005.db2.gz MMKBYDSEJNTZAV-INIZCTEOSA-N 0 1 269.392 3.538 20 0 CHADMN CCc1onc(C)c1CN[C@H](C)c1cccc(F)c1 ZINC000927142267 1128222536 /nfs/dbraw/zinc/22/25/36/1128222536.db2.gz UBFZQAUBFWDPOP-SNVBAGLBSA-N 0 1 262.328 3.535 20 0 CHADMN C[C@H](Cc1cccc(F)c1)N1CCOC[C@@H]1c1ccccc1 ZINC001168477406 1128224772 /nfs/dbraw/zinc/22/47/72/1128224772.db2.gz BWDXSXUYLLVHOS-DNVCBOLYSA-N 0 1 299.389 3.830 20 0 CHADMN C(=C/c1ccncc1)\CN1CCSC[C@H]1c1ccccc1 ZINC000495069883 1128228371 /nfs/dbraw/zinc/22/83/71/1128228371.db2.gz UNLDWRPVCUIITM-WRFKIARRSA-N 0 1 296.439 3.885 20 0 CHADMN CCN(CC)Cc1cccnc1OCc1ccccc1 ZINC001238772134 1131242883 /nfs/dbraw/zinc/24/28/83/1131242883.db2.gz NLGUWZVSKVWULB-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN CCCCN(C(=O)CCc1nc2cccc(C)c2[nH]1)C1CC1 ZINC000495171155 1128240832 /nfs/dbraw/zinc/24/08/32/1128240832.db2.gz IDNYCZBKSQLRHL-UHFFFAOYSA-N 0 1 299.418 3.595 20 0 CHADMN CC(C)CCCN[C@H](Cc1ccccc1)c1ncco1 ZINC000653913736 1128240864 /nfs/dbraw/zinc/24/08/64/1128240864.db2.gz YQOYMASQWZGRIQ-MRXNPFEDSA-N 0 1 272.392 3.984 20 0 CHADMN CCC[C@@H](C)c1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000761834176 1128241342 /nfs/dbraw/zinc/24/13/42/1128241342.db2.gz OBOHXQQDNUUECH-SECBINFHSA-N 0 1 272.308 3.623 20 0 CHADMN CN(Cc1ccco1)Cc1cccc(OCC(F)(F)F)c1 ZINC000056267237 1128243312 /nfs/dbraw/zinc/24/33/12/1128243312.db2.gz OARYGTDMCXSMNE-UHFFFAOYSA-N 0 1 299.292 3.853 20 0 CHADMN Cc1ccc(CN(Cc2cc(C)nnc2C)C(C)C)s1 ZINC000929339308 1128270412 /nfs/dbraw/zinc/27/04/12/1128270412.db2.gz GWTMJOJGQCAUII-UHFFFAOYSA-N 0 1 289.448 3.874 20 0 CHADMN CC(C)CC[C@@H](Nc1cnn(-c2ccncc2)c1)C1CC1 ZINC000670156317 1128271138 /nfs/dbraw/zinc/27/11/38/1128271138.db2.gz AQOGOVBDNNMBDS-QGZVFWFLSA-N 0 1 284.407 3.894 20 0 CHADMN CC[C@H](c1ccccc1)N(CC)Cc1nn(C)cc1C ZINC000929384883 1128272858 /nfs/dbraw/zinc/27/28/58/1128272858.db2.gz KKMYVAQNUARDNW-QGZVFWFLSA-N 0 1 271.408 3.702 20 0 CHADMN C[C@@H]1CC2(CCC2)CN1Cn1ccc(-c2cccs2)n1 ZINC000762142011 1128273372 /nfs/dbraw/zinc/27/33/72/1128273372.db2.gz NRCJSRWDJWVQPA-CYBMUJFWSA-N 0 1 287.432 3.834 20 0 CHADMN CC[C@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@@H](C)O1 ZINC000929620386 1128279706 /nfs/dbraw/zinc/27/97/06/1128279706.db2.gz RKNRFDATTYTRHC-SLBVQIDZSA-N 0 1 295.373 3.535 20 0 CHADMN COC1CCC([N@@H+](C)Cc2c(F)ccc(C)c2F)CC1 ZINC000929654242 1128280165 /nfs/dbraw/zinc/28/01/65/1128280165.db2.gz LVTNDESPCNNUHX-UHFFFAOYSA-N 0 1 283.362 3.663 20 0 CHADMN COC1CCC(N(C)Cc2c(F)ccc(C)c2F)CC1 ZINC000929654242 1128280168 /nfs/dbraw/zinc/28/01/68/1128280168.db2.gz LVTNDESPCNNUHX-UHFFFAOYSA-N 0 1 283.362 3.663 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1c(F)cncc1F ZINC000929718446 1128283666 /nfs/dbraw/zinc/28/36/66/1128283666.db2.gz PCKMUHQBTDMVPZ-ZETOZRRWSA-N 0 1 266.335 3.513 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CC[C@@H]1Cc1ccccc1 ZINC000929813933 1128289516 /nfs/dbraw/zinc/28/95/16/1128289516.db2.gz HIUAEEPORWHDFX-CZUORRHYSA-N 0 1 270.351 3.599 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2[nH]c(C)nc2C)o1 ZINC000929760888 1128285708 /nfs/dbraw/zinc/28/57/08/1128285708.db2.gz YAFYZVAOBBNJBE-BDJLRTHQSA-N 0 1 287.407 3.901 20 0 CHADMN Cc1nnsc1[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000929861980 1128291408 /nfs/dbraw/zinc/29/14/08/1128291408.db2.gz PXJUOVFZMPMQMG-RKDXNWHRSA-N 0 1 281.812 3.912 20 0 CHADMN FC(F)(F)C1=CCN(C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000930099400 1128300609 /nfs/dbraw/zinc/30/06/09/1128300609.db2.gz NWCCSPRDKPXFBU-CYBMUJFWSA-N 0 1 289.341 3.673 20 0 CHADMN CCc1ncc(CN2CC=C(c3cccc(C)c3)CC2)o1 ZINC000930169939 1128303282 /nfs/dbraw/zinc/30/32/82/1128303282.db2.gz NUOGIQSYJKRJPZ-UHFFFAOYSA-N 0 1 282.387 3.835 20 0 CHADMN CCC[C@H](C)N(C)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000930222114 1128308009 /nfs/dbraw/zinc/30/80/09/1128308009.db2.gz MLSWKHOLXAVLHD-VIFPVBQESA-N 0 1 295.333 3.761 20 0 CHADMN CC[C@H](NCc1[nH]c(C)nc1C)c1ccc(F)cc1F ZINC000930223428 1128308114 /nfs/dbraw/zinc/30/81/14/1128308114.db2.gz WLAHUAPEPKYGOY-AWEZNQCLSA-N 0 1 279.334 3.546 20 0 CHADMN CC(C)[C@@H](NCc1ccc(N)nc1)c1ccccc1Cl ZINC000930224158 1128309277 /nfs/dbraw/zinc/30/92/77/1128309277.db2.gz DDPCVKLZMLMPLL-MRXNPFEDSA-N 0 1 289.810 3.804 20 0 CHADMN C[C@@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H](C)[C@@H](C)O1 ZINC000930252093 1128310669 /nfs/dbraw/zinc/31/06/69/1128310669.db2.gz OSMLGWABFYDNRE-STGWMILLSA-N 0 1 295.373 3.533 20 0 CHADMN C[C@@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H](C)[C@H](C)O1 ZINC000930252089 1128311023 /nfs/dbraw/zinc/31/10/23/1128311023.db2.gz OSMLGWABFYDNRE-CNRIWFPOSA-N 0 1 295.373 3.533 20 0 CHADMN CCN(Cc1coc(C(C)(C)C)n1)CC1CCC1 ZINC000930292623 1128312834 /nfs/dbraw/zinc/31/28/34/1128312834.db2.gz HOAOYAXAZWXRBK-UHFFFAOYSA-N 0 1 250.386 3.594 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccsc1)c1ccc(F)nc1 ZINC000930344987 1128314358 /nfs/dbraw/zinc/31/43/58/1128314358.db2.gz HKZFSIDNMQAEGA-ZJUUUORDSA-N 0 1 250.342 3.694 20 0 CHADMN Cc1nnsc1[C@H](C)N1CCC(C)=C(c2ccco2)C1 ZINC000930352004 1128315456 /nfs/dbraw/zinc/31/54/56/1128315456.db2.gz WTNOVXKLWTYJDR-LBPRGKRZSA-N 0 1 289.404 3.680 20 0 CHADMN CCc1cccc(CN(CC)Cc2cccs2)n1 ZINC001235263053 1128316198 /nfs/dbraw/zinc/31/61/98/1128316198.db2.gz HPRPRBKODPWBCM-UHFFFAOYSA-N 0 1 260.406 3.728 20 0 CHADMN CCOC1CC2(C1)CCN(Cc1c(F)ccc(C)c1F)C2 ZINC000930465434 1128319451 /nfs/dbraw/zinc/31/94/51/1128319451.db2.gz GKUHBLIISHGQRC-UHFFFAOYSA-N 0 1 295.373 3.664 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ccc(Br)cc1N ZINC000094047209 1128321987 /nfs/dbraw/zinc/32/19/87/1128321987.db2.gz KRGSGEMBVOGAIX-CYBMUJFWSA-N 0 1 297.240 3.796 20 0 CHADMN COC/C(C)=C\CN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000930486368 1128321312 /nfs/dbraw/zinc/32/13/12/1128321312.db2.gz KUPMPLWJIFUSMV-QHIITQONSA-N 0 1 299.418 3.601 20 0 CHADMN CCCCN(Cc1nncs1)[C@H]1CCC[C@@H](C)C1 ZINC000930583741 1128326433 /nfs/dbraw/zinc/32/64/33/1128326433.db2.gz XCKWIYZLVPKFCE-OLZOCXBDSA-N 0 1 267.442 3.719 20 0 CHADMN C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C1CC1 ZINC000915507739 1128328319 /nfs/dbraw/zinc/32/83/19/1128328319.db2.gz PJCWEVKTHKASKK-QMMMGPOBSA-N 0 1 263.341 3.501 20 0 CHADMN CCc1ncc(CN(C2CC2)[C@H]2CCc3ccccc32)o1 ZINC000929890104 1128330605 /nfs/dbraw/zinc/33/06/05/1128330605.db2.gz ODEPZTDJTVYYNB-KRWDZBQOSA-N 0 1 282.387 3.889 20 0 CHADMN C[C@@H]1C[C@H](CN2Cc3ccc(Cl)cc3C2)C[C@H](C)O1 ZINC000930702160 1128330851 /nfs/dbraw/zinc/33/08/51/1128330851.db2.gz LAVFIZNOVLYITQ-ITGUQSILSA-N 0 1 279.811 3.859 20 0 CHADMN Cc1cc(C)nc(CN(Cc2ccc(C)nc2)CC2CC2)c1 ZINC000930815001 1128336389 /nfs/dbraw/zinc/33/63/89/1128336389.db2.gz AFBQVQDDZGRFML-UHFFFAOYSA-N 0 1 295.430 3.814 20 0 CHADMN COc1cccc(CNC2(c3ccccc3OC)CC2)c1C ZINC000930813763 1128336792 /nfs/dbraw/zinc/33/67/92/1128336792.db2.gz HXDMJRDHQIRAAS-UHFFFAOYSA-N 0 1 297.398 3.791 20 0 CHADMN COC/C(C)=C/CN1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000930999029 1128343127 /nfs/dbraw/zinc/34/31/27/1128343127.db2.gz YAGYQOJAVMMYHK-OIQJVACTSA-N 0 1 293.382 3.564 20 0 CHADMN C[C@@H](N[C@H](c1ccccn1)C1CCC1)c1ccc(F)nc1 ZINC000931173873 1128351746 /nfs/dbraw/zinc/35/17/46/1128351746.db2.gz UOGJNEVBKLYSRL-PXAZEXFGSA-N 0 1 285.366 3.808 20 0 CHADMN CCc1nc(CNC[C@H]2CCC3(CCCCC3)O2)cs1 ZINC000328129884 1128351916 /nfs/dbraw/zinc/35/19/16/1128351916.db2.gz NXTRFBNTZSWSRY-CQSZACIVSA-N 0 1 294.464 3.677 20 0 CHADMN CC[C@H](NCc1nn(C)cc1C)c1cc(C)ccc1C ZINC000931262032 1128354664 /nfs/dbraw/zinc/35/46/64/1128354664.db2.gz KLAYQSNYHJOWKR-INIZCTEOSA-N 0 1 271.408 3.586 20 0 CHADMN CCC(CC)CN(CC)Cc1nc(C(C)(C)C)no1 ZINC000193829216 1128356166 /nfs/dbraw/zinc/35/61/66/1128356166.db2.gz CIOBOHZSTGHJHT-UHFFFAOYSA-N 0 1 267.417 3.625 20 0 CHADMN CC(C)c1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000082351308 1128356270 /nfs/dbraw/zinc/35/62/70/1128356270.db2.gz PRMXTQXTOZMSER-UHFFFAOYSA-N 0 1 279.343 3.939 20 0 CHADMN CC1CC(CN2CCc3nc[nH]c3[C@@H]2c2ccc(F)cc2)C1 ZINC000931387967 1128359546 /nfs/dbraw/zinc/35/95/46/1128359546.db2.gz NRXQUVWQIUPFFT-KJBLDROHSA-N 0 1 299.393 3.542 20 0 CHADMN Cc1nc(CN[C@H]2CCc3ccc(C)cc32)sc1C ZINC000153926376 1128414549 /nfs/dbraw/zinc/41/45/49/1128414549.db2.gz JPUFSLMEJYLVMI-HNNXBMFYSA-N 0 1 272.417 3.845 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1cc(CO)ccc1F ZINC000932562156 1128414706 /nfs/dbraw/zinc/41/47/06/1128414706.db2.gz YPEODSXGMMKZJA-LBPRGKRZSA-N 0 1 291.341 3.616 20 0 CHADMN Cc1nnsc1[C@H](C)N1CCC2(CCSCC2)CC1 ZINC000931465490 1128362797 /nfs/dbraw/zinc/36/27/97/1128362797.db2.gz QKAHTKNBYVETOJ-LBPRGKRZSA-N 0 1 297.493 3.517 20 0 CHADMN CC[N@@H+](Cc1coc(-c2cccs2)n1)C(C)C ZINC000194094000 1128363406 /nfs/dbraw/zinc/36/34/06/1128363406.db2.gz SRLPAUDETDWMNS-UHFFFAOYSA-N 0 1 250.367 3.633 20 0 CHADMN CCN(Cc1coc(-c2cccs2)n1)C(C)C ZINC000194094000 1128363412 /nfs/dbraw/zinc/36/34/12/1128363412.db2.gz SRLPAUDETDWMNS-UHFFFAOYSA-N 0 1 250.367 3.633 20 0 CHADMN CC[C@@H](c1ccccc1OC)N(C)Cc1ncccc1C ZINC000561956793 1128364807 /nfs/dbraw/zinc/36/48/07/1128364807.db2.gz BNSXPWIGPMPOAR-KRWDZBQOSA-N 0 1 284.403 3.982 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000106860127 1128365640 /nfs/dbraw/zinc/36/56/40/1128365640.db2.gz WSPUQMBUYRUCLJ-SNVBAGLBSA-N 0 1 291.782 3.620 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2csc(-c3ccco3)n2)C1 ZINC000055472397 1128371043 /nfs/dbraw/zinc/37/10/43/1128371043.db2.gz ASIMWDVZQRAOFK-TXEJJXNPSA-N 0 1 276.405 3.881 20 0 CHADMN CCc1nc([C@H]2CCCCN2C[C@H](C)C(C)(C)C)no1 ZINC000670262788 1128375157 /nfs/dbraw/zinc/37/51/57/1128375157.db2.gz LXJDGHXKSZDGGA-QWHCGFSZSA-N 0 1 279.428 3.841 20 0 CHADMN CO[C@@H](C)c1nc(CN(C)C[C@@H](C)C(C)(C)C)cs1 ZINC000670265513 1128377395 /nfs/dbraw/zinc/37/73/95/1128377395.db2.gz WSLRBPVRDVAUJC-NEPJUHHUSA-N 0 1 284.469 3.965 20 0 CHADMN COc1ccc([C@H](C)NCc2cccc(Cl)n2)cc1C ZINC000932574855 1128416052 /nfs/dbraw/zinc/41/60/52/1128416052.db2.gz LIERDBKKOGOBRX-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CC[C@H]1CCCN1C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000931766931 1128381253 /nfs/dbraw/zinc/38/12/53/1128381253.db2.gz HVNINVUPXHXQPP-VIFPVBQESA-N 0 1 293.317 3.515 20 0 CHADMN CC(C)C(C)(C)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000931812090 1128382798 /nfs/dbraw/zinc/38/27/98/1128382798.db2.gz VOENGZMGQHUFRU-UHFFFAOYSA-N 0 1 295.333 3.665 20 0 CHADMN Cc1ccc(-c2cccc(CN3CC[C@](F)(CO)C3)c2)cc1 ZINC000670273516 1128384092 /nfs/dbraw/zinc/38/40/92/1128384092.db2.gz DCAGIXRIHLNWIL-LJQANCHMSA-N 0 1 299.389 3.568 20 0 CHADMN Fc1ccccc1C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931914860 1128387879 /nfs/dbraw/zinc/38/78/79/1128387879.db2.gz CUWYXBBINFQPQA-GFCCVEGCSA-N 0 1 291.263 3.692 20 0 CHADMN Fc1ccccc1CN1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931914860 1128387880 /nfs/dbraw/zinc/38/78/80/1128387880.db2.gz CUWYXBBINFQPQA-GFCCVEGCSA-N 0 1 291.263 3.692 20 0 CHADMN Cc1nc([C@@H]2CCN([C@@H](C)c3ccc(Cl)cc3)C2)no1 ZINC000931936518 1128388541 /nfs/dbraw/zinc/38/85/41/1128388541.db2.gz OOWDSKSPIHKIAS-GXFFZTMASA-N 0 1 291.782 3.582 20 0 CHADMN Cc1nccc(NCc2cc3ccccc3o2)c1Cl ZINC000562240959 1128389471 /nfs/dbraw/zinc/38/94/71/1128389471.db2.gz ZITPTFMYAUVSRF-UHFFFAOYSA-N 0 1 272.735 3.824 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2cc3c(s2)CCCC3)o1 ZINC000398008743 1128391435 /nfs/dbraw/zinc/39/14/35/1128391435.db2.gz ZBMURYJPDGWVKX-JTQLQIEISA-N 0 1 276.405 3.774 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ncccc1[O-] ZINC000562670283 1128417055 /nfs/dbraw/zinc/41/70/55/1128417055.db2.gz RMTALYYQLXCALQ-YCPHGPKFSA-N 0 1 282.387 3.554 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ncccc1[O-] ZINC000562670283 1128417058 /nfs/dbraw/zinc/41/70/58/1128417058.db2.gz RMTALYYQLXCALQ-YCPHGPKFSA-N 0 1 282.387 3.554 20 0 CHADMN c1nc(C2CC2)oc1CSc1nc(-c2ccccc2)n[nH]1 ZINC000915977841 1128399166 /nfs/dbraw/zinc/39/91/66/1128399166.db2.gz LZTHGVCOYPXLKZ-UHFFFAOYSA-N 0 1 298.371 3.629 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ncccc1[O-] ZINC000562670280 1128417478 /nfs/dbraw/zinc/41/74/78/1128417478.db2.gz RMTALYYQLXCALQ-FMKPAKJESA-N 0 1 282.387 3.554 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ncccc1[O-] ZINC000562670280 1128417480 /nfs/dbraw/zinc/41/74/80/1128417480.db2.gz RMTALYYQLXCALQ-FMKPAKJESA-N 0 1 282.387 3.554 20 0 CHADMN Cc1nc(C)c(CN[C@H]2CC3(CCC3)Oc3ccccc32)[nH]1 ZINC000932213573 1128400726 /nfs/dbraw/zinc/40/07/26/1128400726.db2.gz XQQLYEZQEFPWPK-HNNXBMFYSA-N 0 1 297.402 3.563 20 0 CHADMN CC(C)[C@H](c1ccc(F)cc1)N(C)Cc1ccno1 ZINC000562425266 1128401165 /nfs/dbraw/zinc/40/11/65/1128401165.db2.gz LZBRUBYSKXWMEB-OAHLLOKOSA-N 0 1 262.328 3.643 20 0 CHADMN CC(C)Oc1ccc(CN2CCC[C@@H]2c2ccnn2C)cc1 ZINC000932270315 1128401908 /nfs/dbraw/zinc/40/19/08/1128401908.db2.gz RIQYRBZUHOKLCP-GOSISDBHSA-N 0 1 299.418 3.544 20 0 CHADMN CC(C)Oc1cccc(CN2CCC[C@@H]2c2ccnn2C)c1 ZINC000932270083 1128402056 /nfs/dbraw/zinc/40/20/56/1128402056.db2.gz BZHAJJYDKVIRAI-GOSISDBHSA-N 0 1 299.418 3.544 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(SC(F)F)cc2)CCO1 ZINC000932345727 1128405590 /nfs/dbraw/zinc/40/55/90/1128405590.db2.gz OUBOWJDNZJBJIB-LLVKDONJSA-N 0 1 287.375 3.612 20 0 CHADMN CCOc1ccccc1CN[C@@H](c1ccccn1)C1CC1 ZINC000932379109 1128406353 /nfs/dbraw/zinc/40/63/53/1128406353.db2.gz HBVBAEGDJBAUMO-GOSISDBHSA-N 0 1 282.387 3.721 20 0 CHADMN Cc1noc(C)c1CN(Cc1cccc(F)c1)C1CCC1 ZINC000932404669 1128408738 /nfs/dbraw/zinc/40/87/38/1128408738.db2.gz ZCIRXVBOHNAZAX-UHFFFAOYSA-N 0 1 288.366 3.985 20 0 CHADMN FC1(C2CC2)CCN(Cc2nc3ccccc3o2)CC1 ZINC000932634150 1128418056 /nfs/dbraw/zinc/41/80/56/1128418056.db2.gz XJXWLAQSSCTCGW-UHFFFAOYSA-N 0 1 274.339 3.542 20 0 CHADMN CC(=O)c1cccc(CN(Cc2ccccn2)CC(C)C)c1 ZINC000932447828 1128409926 /nfs/dbraw/zinc/40/99/26/1128409926.db2.gz LFBHZDHJTUMIMO-UHFFFAOYSA-N 0 1 296.414 3.942 20 0 CHADMN CC(C)[C@@H]1CC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328285779 1128420838 /nfs/dbraw/zinc/42/08/38/1128420838.db2.gz ZOVBNASQFRPWTR-LLVKDONJSA-N 0 1 253.773 3.524 20 0 CHADMN CC(C)[C@@H]1CC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328285779 1128420840 /nfs/dbraw/zinc/42/08/40/1128420840.db2.gz ZOVBNASQFRPWTR-LLVKDONJSA-N 0 1 253.773 3.524 20 0 CHADMN CCCC[N@@H+](Cc1csnn1)[C@@H]1CCC[C@H](C)C1 ZINC000562856933 1128424789 /nfs/dbraw/zinc/42/47/89/1128424789.db2.gz PLQSQXHBJBFUNT-GXTWGEPZSA-N 0 1 267.442 3.719 20 0 CHADMN CCCCN(Cc1csnn1)[C@@H]1CCC[C@H](C)C1 ZINC000562856933 1128424791 /nfs/dbraw/zinc/42/47/91/1128424791.db2.gz PLQSQXHBJBFUNT-GXTWGEPZSA-N 0 1 267.442 3.719 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C(C)(C)C(C)(C)C)ccc12 ZINC000496844003 1128425209 /nfs/dbraw/zinc/42/52/09/1128425209.db2.gz BHXYVWMNBITSHN-UHFFFAOYSA-N 0 1 273.380 3.882 20 0 CHADMN C[C@]1(Cc2ccc(Cl)s2)CCCN1Cc1c[nH]cn1 ZINC000932919423 1128426787 /nfs/dbraw/zinc/42/67/87/1128426787.db2.gz IEKYFAXPSBEDIO-CQSZACIVSA-N 0 1 295.839 3.722 20 0 CHADMN C[C@H]1CN(Cc2cccc(F)c2N)[C@H]1c1ccccc1 ZINC000638156071 1128427316 /nfs/dbraw/zinc/42/73/16/1128427316.db2.gz RHNJMJAUMWLSKY-YVEFUNNKSA-N 0 1 270.351 3.601 20 0 CHADMN CCCCN(C)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000124466883 1128444058 /nfs/dbraw/zinc/44/40/58/1128444058.db2.gz UOLLTBMKVQKSDV-UHFFFAOYSA-N 0 1 291.782 3.602 20 0 CHADMN C[C@@H](NCCC(F)(F)F)c1cc(Cl)cc2c1OCC2 ZINC000933272147 1128432747 /nfs/dbraw/zinc/43/27/47/1128432747.db2.gz GURUFNYDSJAIMR-MRVPVSSYSA-N 0 1 293.716 3.878 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1nc(CCC(C)C)no1 ZINC000542595090 1128433639 /nfs/dbraw/zinc/43/36/39/1128433639.db2.gz URWKDZKNCPKNNI-CQSZACIVSA-N 0 1 279.428 3.813 20 0 CHADMN c1c(CNC2([C@H]3CCCCO3)CC2)onc1-c1ccccc1 ZINC000933378675 1128434506 /nfs/dbraw/zinc/43/45/06/1128434506.db2.gz WENIIQXSGHATHL-QGZVFWFLSA-N 0 1 298.386 3.533 20 0 CHADMN CC1(C)CCN(Cc2cnns2)C[C@@H]1c1ccccc1 ZINC000933513004 1128437080 /nfs/dbraw/zinc/43/70/80/1128437080.db2.gz MWRKPAYULPNUFH-OAHLLOKOSA-N 0 1 287.432 3.554 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@H](C)c2cccc(O)c2)cn1 ZINC000562924000 1128441226 /nfs/dbraw/zinc/44/12/26/1128441226.db2.gz UMEWHKGHYZPSJX-OLZOCXBDSA-N 0 1 273.380 3.581 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000187461576 1128445704 /nfs/dbraw/zinc/44/57/04/1128445704.db2.gz PTIZPJTYXYUUQU-AOOOYVTPSA-N 0 1 268.744 3.621 20 0 CHADMN CC[C@H]1CCN([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000125662821 1128451905 /nfs/dbraw/zinc/45/19/05/1128451905.db2.gz BQCBGNJIWOAMTR-QWRGUYRKSA-N 0 1 277.393 3.591 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc3c(c2)OCCC3)c1F ZINC001236001927 1128452821 /nfs/dbraw/zinc/45/28/21/1128452821.db2.gz GHSOBTFPJABQLU-UHFFFAOYSA-N 0 1 280.245 3.802 20 0 CHADMN CCC[C@](C)(NCc1cc(Cl)n(C)n1)c1ccccc1 ZINC000934181058 1128454061 /nfs/dbraw/zinc/45/40/61/1128454061.db2.gz ZENOQKYTTZWPDT-INIZCTEOSA-N 0 1 291.826 3.879 20 0 CHADMN CC(C)C1(C)CCN(Cc2ccnc(Cl)c2)CC1 ZINC000778218210 1128451165 /nfs/dbraw/zinc/45/11/65/1128451165.db2.gz DQUMWYZYSZXEMM-UHFFFAOYSA-N 0 1 266.816 3.993 20 0 CHADMN Cc1cccc(CNCc2ccccc2N2CCCCC2)n1 ZINC000916838531 1128457403 /nfs/dbraw/zinc/45/74/03/1128457403.db2.gz GJWVINHQXWCPPK-UHFFFAOYSA-N 0 1 295.430 3.670 20 0 CHADMN C[C@H]1CSCCCN1Cc1coc(-c2ccccc2)n1 ZINC000934304323 1128457552 /nfs/dbraw/zinc/45/75/52/1128457552.db2.gz USOUEUCYSFXTGR-ZDUSSCGKSA-N 0 1 288.416 3.669 20 0 CHADMN C[C@@H]1CSCCCN1Cc1nsc2ccccc21 ZINC000934298260 1128457807 /nfs/dbraw/zinc/45/78/07/1128457807.db2.gz YVHXRXBRRDYHNT-LLVKDONJSA-N 0 1 278.446 3.624 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cccc(F)c1O ZINC000934338544 1128458321 /nfs/dbraw/zinc/45/83/21/1128458321.db2.gz XGCYMIVGMGEVTQ-GXTWGEPZSA-N 0 1 299.345 3.550 20 0 CHADMN c1oc(-c2ccccc2)nc1CN[C@@H]1CCOC12CCCC2 ZINC000934393743 1128459931 /nfs/dbraw/zinc/45/99/31/1128459931.db2.gz DMLWCJMYPFMKON-MRXNPFEDSA-N 0 1 298.386 3.533 20 0 CHADMN Cc1cc(CN[C@H](C)c2cnn(CC3CCC3)c2)cs1 ZINC000934563084 1128463339 /nfs/dbraw/zinc/46/33/39/1128463339.db2.gz RUJCIJUZIZFXCU-CYBMUJFWSA-N 0 1 289.448 3.904 20 0 CHADMN C[C@H](NCCc1ccc(C(C)(C)C)cc1)c1ccon1 ZINC000563487521 1128465489 /nfs/dbraw/zinc/46/54/89/1128465489.db2.gz RLTRMSYDULMPMU-ZDUSSCGKSA-N 0 1 272.392 3.865 20 0 CHADMN CCCCc1nc2ccc(NC(=O)CC(F)(F)F)cc2[nH]1 ZINC000065903791 1128468422 /nfs/dbraw/zinc/46/84/22/1128468422.db2.gz FZCPIERGHOIQCW-UHFFFAOYSA-N 0 1 299.296 3.796 20 0 CHADMN CCCCc1nc2ccc(NC(=O)CCSC)cc2[nH]1 ZINC000065903733 1128468898 /nfs/dbraw/zinc/46/88/98/1128468898.db2.gz BXNHUDQNSRCIPQ-UHFFFAOYSA-N 0 1 291.420 3.597 20 0 CHADMN c1oc(C2CC2)nc1CNC1(C2CCCCC2)CC1 ZINC000934790059 1128469889 /nfs/dbraw/zinc/46/98/89/1128469889.db2.gz RZEGSTCBMVVKJK-UHFFFAOYSA-N 0 1 260.381 3.755 20 0 CHADMN C[C@@H](CCc1ccccc1)Sc1nc(C2CC2)n[nH]1 ZINC000127183723 1128473341 /nfs/dbraw/zinc/47/33/41/1128473341.db2.gz FTHGUJKYEIPDDU-NSHDSACASA-N 0 1 273.405 3.796 20 0 CHADMN C[C@@H](CCc1ccccc1)Sc1n[nH]c(C2CC2)n1 ZINC000127183723 1128473344 /nfs/dbraw/zinc/47/33/44/1128473344.db2.gz FTHGUJKYEIPDDU-NSHDSACASA-N 0 1 273.405 3.796 20 0 CHADMN CCC[C@@H](C)CC[C@@H](C)N1CC2(C1)CCCCO2 ZINC001257474342 1128475316 /nfs/dbraw/zinc/47/53/16/1128475316.db2.gz ANRVBGYNIFNQTC-HUUCEWRRSA-N 0 1 253.430 3.846 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](c2ccccc2F)[C@H](C)O)s1 ZINC000563816339 1128480009 /nfs/dbraw/zinc/48/00/09/1128480009.db2.gz KORCHDBAKWVDLM-MQIPJXDCSA-N 0 1 293.407 3.968 20 0 CHADMN Cc1cccc(CN[C@@H]2c3cc(F)ccc3C[C@@H]2C)n1 ZINC000127337050 1128475894 /nfs/dbraw/zinc/47/58/94/1128475894.db2.gz BCMJSQAUAAVFDF-GTNSWQLSSA-N 0 1 270.351 3.552 20 0 CHADMN CC(C)C[C@H](C)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000935040143 1128476622 /nfs/dbraw/zinc/47/66/22/1128476622.db2.gz IFPXVRDNIKUVNX-VIFPVBQESA-N 0 1 295.333 3.665 20 0 CHADMN CCN(CC)Cc1csc(-c2ccc(F)cc2)n1 ZINC000066697379 1128476954 /nfs/dbraw/zinc/47/69/54/1128476954.db2.gz YZUMTUIKWYTVHY-UHFFFAOYSA-N 0 1 264.369 3.791 20 0 CHADMN CCc1cnc(CN(C)CC2Cc3ccccc3C2)s1 ZINC000563844997 1128481492 /nfs/dbraw/zinc/48/14/92/1128481492.db2.gz BNEWZVCGFPDMEE-UHFFFAOYSA-N 0 1 286.444 3.552 20 0 CHADMN C[C@@H]1CN(CCCC2CCCC2)CCN1CC(F)(F)F ZINC000127844799 1128483285 /nfs/dbraw/zinc/48/32/85/1128483285.db2.gz OKCQOROGMUJDSW-CYBMUJFWSA-N 0 1 292.389 3.525 20 0 CHADMN CCC[C@H](C)CC[C@H](C)NC1(c2ncccn2)CC1 ZINC001257476987 1128483713 /nfs/dbraw/zinc/48/37/13/1128483713.db2.gz RRVQQIJKEWEYSS-KBPBESRZSA-N 0 1 261.413 3.660 20 0 CHADMN Cc1cc2cc(NC(=O)c3c(O)cccc3F)ccc2[nH]1 ZINC000127950043 1128484241 /nfs/dbraw/zinc/48/42/41/1128484241.db2.gz JNTCFVIPHYBRJW-UHFFFAOYSA-N 0 1 284.290 3.573 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000564218393 1128498918 /nfs/dbraw/zinc/49/89/18/1128498918.db2.gz VPMWZNDOZPNHFZ-ZDUSSCGKSA-N 0 1 293.407 3.941 20 0 CHADMN CCC[C@@H](C)CC[C@@H](C)N1CC(N2CCC(F)(F)C2)C1 ZINC001257482529 1128498971 /nfs/dbraw/zinc/49/89/71/1128498971.db2.gz RUVSDVIVZHNVSH-ZIAGYGMSSA-N 0 1 288.426 3.617 20 0 CHADMN Cc1cccc(CN[C@H](C)c2nccc3ccccc32)n1 ZINC000564428936 1128508263 /nfs/dbraw/zinc/50/82/63/1128508263.db2.gz AKXBHFBBQALZMF-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN CCCCC[C@H](C)NC1(c2cccc(F)c2)COC1 ZINC001257502597 1128514621 /nfs/dbraw/zinc/51/46/21/1128514621.db2.gz PLLZHUUMNMSDMG-ZDUSSCGKSA-N 0 1 265.372 3.610 20 0 CHADMN CCCC[C@@H](CC)CCN1CCOC[C@@H]1CC(F)F ZINC000564757662 1128514730 /nfs/dbraw/zinc/51/47/30/1128514730.db2.gz VTIVGCHPSATMDN-KGLIPLIRSA-N 0 1 277.399 3.949 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(SC(C)C)cc1 ZINC000565112622 1128519979 /nfs/dbraw/zinc/51/99/79/1128519979.db2.gz WMKXVPXQMAAFAG-ZDUSSCGKSA-N 0 1 295.448 3.872 20 0 CHADMN Cc1noc([C@@H](C)[N@@H+](C)C[C@@H]2CCCC(C)(C)C2)n1 ZINC000565230381 1128522169 /nfs/dbraw/zinc/52/21/69/1128522169.db2.gz RCGNEYMEEAEREP-DGCLKSJQSA-N 0 1 265.401 3.587 20 0 CHADMN Cc1noc([C@@H](C)N(C)C[C@@H]2CCCC(C)(C)C2)n1 ZINC000565230381 1128522171 /nfs/dbraw/zinc/52/21/71/1128522171.db2.gz RCGNEYMEEAEREP-DGCLKSJQSA-N 0 1 265.401 3.587 20 0 CHADMN CC[C@H]1[C@H](C)CCN1Cc1cc(C(C)(C)C)on1 ZINC000565389506 1128525111 /nfs/dbraw/zinc/52/51/11/1128525111.db2.gz DGBNKRWGXZNGSA-YPMHNXCESA-N 0 1 250.386 3.593 20 0 CHADMN CCCC[C@H]1CCC[C@@H]1NCc1nccc(C(F)F)n1 ZINC000567134177 1128559227 /nfs/dbraw/zinc/55/92/27/1128559227.db2.gz DDFGBXSZXGUIRJ-RYUDHWBXSA-N 0 1 283.366 3.863 20 0 CHADMN Cc1ccc(C[C@H](C)N(C)C(=O)c2cc(C(C)C)[nH]n2)cc1 ZINC000129945006 1128559386 /nfs/dbraw/zinc/55/93/86/1128559386.db2.gz YOBINBZJILZXCP-AWEZNQCLSA-N 0 1 299.418 3.545 20 0 CHADMN CCOC1CC(CN2CCc3sc(Cl)cc3C2)C1 ZINC000565773213 1128531917 /nfs/dbraw/zinc/53/19/17/1128531917.db2.gz MPRGWAKDNXPBCQ-UHFFFAOYSA-N 0 1 285.840 3.575 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2cc(Cl)ccc2Cl)n1 ZINC000041123536 1128536256 /nfs/dbraw/zinc/53/62/56/1128536256.db2.gz HZKMIYFKSSCYLN-SNVBAGLBSA-N 0 1 286.162 3.699 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2ccc3ccccc3c2)n1 ZINC000041123624 1128537011 /nfs/dbraw/zinc/53/70/11/1128537011.db2.gz DQRBDQJHOBHHCT-CQSZACIVSA-N 0 1 267.332 3.546 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2cccc3ccccc32)n1 ZINC000041123721 1128537017 /nfs/dbraw/zinc/53/70/17/1128537017.db2.gz WGJIBIOWRHBRBZ-AWEZNQCLSA-N 0 1 267.332 3.546 20 0 CHADMN Clc1cc(C[N@H+]2CCCSCC2)c2ccccc2n1 ZINC000154765513 1128560263 /nfs/dbraw/zinc/56/02/63/1128560263.db2.gz FTSRPSFMKRNOFQ-UHFFFAOYSA-N 0 1 292.835 3.827 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000566358993 1128542491 /nfs/dbraw/zinc/54/24/91/1128542491.db2.gz BNAYBTWTTBZZEY-KRWDZBQOSA-N 0 1 293.382 3.926 20 0 CHADMN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC000566368809 1128543247 /nfs/dbraw/zinc/54/32/47/1128543247.db2.gz RZIPDVZVQVEDTL-BZSNNMDCSA-N 0 1 299.414 3.639 20 0 CHADMN CCc1cc(C(=O)N2CCC[C@H]2CC2CCCCC2)n[nH]1 ZINC000129595091 1128545490 /nfs/dbraw/zinc/54/54/90/1128545490.db2.gz QBTICVKODNQREX-HNNXBMFYSA-N 0 1 289.423 3.547 20 0 CHADMN CCN(C(=O)c1cc(-c2cccs2)[nH]n1)[C@@H](C)C(C)C ZINC000566588448 1128547001 /nfs/dbraw/zinc/54/70/01/1128547001.db2.gz NZNSVYIPHZQXEE-NSHDSACASA-N 0 1 291.420 3.645 20 0 CHADMN C[C@H](N[C@H]1CCCCc2ccccc21)c1ccncn1 ZINC000566660898 1128548681 /nfs/dbraw/zinc/54/86/81/1128548681.db2.gz XXTQSIDHSFBMTA-GUYCJALGSA-N 0 1 267.376 3.595 20 0 CHADMN COc1nc2ccccc2cc1CNCc1cscc1C ZINC000566773077 1128551195 /nfs/dbraw/zinc/55/11/95/1128551195.db2.gz BQPPHEBGQCZPPC-UHFFFAOYSA-N 0 1 298.411 3.903 20 0 CHADMN CC(C)(C)c1cccc(C(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000566805349 1128552292 /nfs/dbraw/zinc/55/22/92/1128552292.db2.gz HLIIOWYUBUJZJW-HNNXBMFYSA-N 0 1 297.402 3.515 20 0 CHADMN F[C@H]1CCCN(Cc2cccc(-c3cccnc3)c2)C1 ZINC000566978864 1128555929 /nfs/dbraw/zinc/55/59/29/1128555929.db2.gz CNZOTGHELTWULS-KRWDZBQOSA-N 0 1 270.351 3.683 20 0 CHADMN CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ncccc1[O-] ZINC000567026165 1128556659 /nfs/dbraw/zinc/55/66/59/1128556659.db2.gz VGOSFHGJTWIUBI-WMZOPIPTSA-N 0 1 296.414 3.945 20 0 CHADMN c1cc2c(o1)CCC[C@H]2NCc1cc2cccnc2o1 ZINC000556155186 1128556863 /nfs/dbraw/zinc/55/68/63/1128556863.db2.gz XMTPSOQUADTVPH-CQSZACIVSA-N 0 1 268.316 3.588 20 0 CHADMN c1nc2c(s1)CN(CCCC1CCCCC1)CC2 ZINC000567398916 1128563806 /nfs/dbraw/zinc/56/38/06/1128563806.db2.gz UHTJNRHVPFFQMK-UHFFFAOYSA-N 0 1 264.438 3.862 20 0 CHADMN CN(Cc1ccoc1)C[C@H](O)c1ccc2ccccc2c1 ZINC000918738502 1128569699 /nfs/dbraw/zinc/56/96/99/1128569699.db2.gz GGPKHTDTPNYRHS-SFHVURJKSA-N 0 1 281.355 3.598 20 0 CHADMN Cc1cccc2nc(CNC(=O)[C@@H]3CCCC(C)(C)C3)[nH]c21 ZINC000498388715 1128569730 /nfs/dbraw/zinc/56/97/30/1128569730.db2.gz DBUWKTQPAVSNBO-CYBMUJFWSA-N 0 1 299.418 3.704 20 0 CHADMN CC(C)CCOCCN(Cc1ccccc1F)C1CC1 ZINC000556274224 1128572651 /nfs/dbraw/zinc/57/26/51/1128572651.db2.gz BMHCKKXNPCLBCV-UHFFFAOYSA-N 0 1 279.399 3.853 20 0 CHADMN CC1=C(C)C[C@H](C(=O)Nc2ccc3nc[nH]c3c2)CC1 ZINC000567943276 1128575344 /nfs/dbraw/zinc/57/53/44/1128575344.db2.gz FMYURCGQDRMUGE-GFCCVEGCSA-N 0 1 269.348 3.638 20 0 CHADMN CCO[C@@H]1C[C@H]1NC1c2ccccc2-c2ccccc21 ZINC000568021033 1128576130 /nfs/dbraw/zinc/57/61/30/1128576130.db2.gz TZVHOMRZOFYQDE-IAGOWNOFSA-N 0 1 265.356 3.523 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000568073868 1128576861 /nfs/dbraw/zinc/57/68/61/1128576861.db2.gz PAHLEKAGFHXFGA-HLLBOEOZSA-N 0 1 281.440 3.636 20 0 CHADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1c(C)c(C)c(C)c(C)c1C ZINC000568074642 1128576981 /nfs/dbraw/zinc/57/69/81/1128576981.db2.gz NUEGQGMKXNNPIH-LLVKDONJSA-N 0 1 291.435 3.914 20 0 CHADMN CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000568067212 1128577222 /nfs/dbraw/zinc/57/72/22/1128577222.db2.gz OYRVZJJTXPFLNQ-LBPRGKRZSA-N 0 1 281.421 3.847 20 0 CHADMN c1ccc2c(CNCc3ccc(C4CC4)cc3)noc2c1 ZINC000568237710 1128580625 /nfs/dbraw/zinc/58/06/25/1128580625.db2.gz DQQMPYQRBZZUHP-UHFFFAOYSA-N 0 1 278.355 3.995 20 0 CHADMN CN(Cc1coc(-c2c(F)cccc2F)n1)C(C)(C)C ZINC000568262956 1128580892 /nfs/dbraw/zinc/58/08/92/1128580892.db2.gz FRBCZGTZWFDNBC-UHFFFAOYSA-N 0 1 280.318 3.850 20 0 CHADMN Cc1csc([C@@H](C)NCc2ccnc3ccccc23)n1 ZINC000070977019 1128581753 /nfs/dbraw/zinc/58/17/53/1128581753.db2.gz APYNRYCFBYPOFR-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1cncc(CN[C@H](C)c2ccc(Cl)s2)c1 ZINC000130493718 1128584199 /nfs/dbraw/zinc/58/41/99/1128584199.db2.gz XITBEOKSCSZTQG-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN CCC(=O)Nc1cccc(CNCc2csc(C)c2)c1 ZINC000568473033 1128586272 /nfs/dbraw/zinc/58/62/72/1128586272.db2.gz OYTZVUMWJWGVQU-UHFFFAOYSA-N 0 1 288.416 3.695 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000568520833 1128586655 /nfs/dbraw/zinc/58/66/55/1128586655.db2.gz ANJSRRVVKNRAPT-ZBFHGGJFSA-N 0 1 287.403 3.509 20 0 CHADMN C[N@@H+](CCC1CCCCC1)Cc1csc(C(=O)[O-])c1 ZINC000568520683 1128586979 /nfs/dbraw/zinc/58/69/79/1128586979.db2.gz LQOSLKUDMHONTK-UHFFFAOYSA-N 0 1 281.421 3.849 20 0 CHADMN CCCOC1(CNCc2csc(CC)n2)CCCCC1 ZINC000556433692 1128589963 /nfs/dbraw/zinc/58/99/63/1128589963.db2.gz NRKPCCUWSKADCL-UHFFFAOYSA-N 0 1 296.480 3.925 20 0 CHADMN CCC[C@@H](CC)NC(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000568699956 1128591006 /nfs/dbraw/zinc/59/10/06/1128591006.db2.gz PCQYQZDHKVCMHL-SJORKVTESA-N 0 1 290.451 3.592 20 0 CHADMN CCn1ccc(CN[C@@H](CC2CC2)c2ccccc2)n1 ZINC000568843561 1128592822 /nfs/dbraw/zinc/59/28/22/1128592822.db2.gz ZORUPTYLRDOCRE-KRWDZBQOSA-N 0 1 269.392 3.534 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2cc(C)sc2C)n[nH]1 ZINC000568945494 1128595420 /nfs/dbraw/zinc/59/54/20/1128595420.db2.gz PCKKPXJNGWUVGN-MWLCHTKSSA-N 0 1 292.452 3.847 20 0 CHADMN CCC[C@@H]1CCCN(Cc2cc(C(C)(C)C)on2)C1 ZINC000569012927 1128596110 /nfs/dbraw/zinc/59/61/10/1128596110.db2.gz OLACUKIEBKNWBY-CYBMUJFWSA-N 0 1 264.413 3.984 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1cnc2ccccc2n1 ZINC000660147124 1128601345 /nfs/dbraw/zinc/60/13/45/1128601345.db2.gz QLLKDOKAWONSME-SFHVURJKSA-N 0 1 292.386 3.608 20 0 CHADMN C[C@H](c1ccco1)N(C)Cc1c[nH]nc1-c1ccccc1 ZINC000131058621 1128603894 /nfs/dbraw/zinc/60/38/94/1128603894.db2.gz BHXQLVBFWDJHKX-CYBMUJFWSA-N 0 1 281.359 3.863 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCN1Cc1csc(C2CCCC2)n1 ZINC000152622386 1128604175 /nfs/dbraw/zinc/60/41/75/1128604175.db2.gz BUEZBLMTYSSUPQ-DOMZBBRYSA-N 0 1 294.464 3.536 20 0 CHADMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1c(Cl)cccc1C(=O)[O-] ZINC000569856940 1128610549 /nfs/dbraw/zinc/61/05/49/1128610549.db2.gz MGDKAZBDYVDFLF-WDEREUQCSA-N 0 1 281.783 3.659 20 0 CHADMN Clc1ccc(CN2CCC(c3cn[nH]c3)CC2)s1 ZINC000352650439 1128611165 /nfs/dbraw/zinc/61/11/65/1128611165.db2.gz XFCCXCVPLMEYQZ-UHFFFAOYSA-N 0 1 281.812 3.504 20 0 CHADMN Cc1noc(C(C)(C)NCCC2C[C@@H](C)C[C@H](C)C2)n1 ZINC000570469062 1128624270 /nfs/dbraw/zinc/62/42/70/1128624270.db2.gz VGRNGTAXSXVQRW-RYUDHWBXSA-N 0 1 279.428 3.665 20 0 CHADMN CC[C@H](C)N(Cc1snnc1C)Cc1ccccc1 ZINC000570519467 1128624919 /nfs/dbraw/zinc/62/49/19/1128624919.db2.gz FZSULNBHIGHCKP-LBPRGKRZSA-N 0 1 275.421 3.647 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000570851971 1128633855 /nfs/dbraw/zinc/63/38/55/1128633855.db2.gz RCUZYAUENUCKBD-QGZVFWFLSA-N 0 1 289.419 3.729 20 0 CHADMN CCc1ccc([C@H]2CCN(Cc3cscn3)C2)cc1 ZINC000556884063 1128634043 /nfs/dbraw/zinc/63/40/43/1128634043.db2.gz KOXZAOAVNGYDCT-HNNXBMFYSA-N 0 1 272.417 3.695 20 0 CHADMN Fc1ccc([C@@H]2CSCC[N@H+]2[C@H]2CCCSC2)cc1 ZINC001257677380 1128634182 /nfs/dbraw/zinc/63/41/82/1128634182.db2.gz XVSGFCHPTYQOIO-GJZGRUSLSA-N 0 1 297.464 3.811 20 0 CHADMN Cc1ccc(-c2noc([C@H](C)NC3CC(C)C3)n2)cc1F ZINC000570875193 1128634649 /nfs/dbraw/zinc/63/46/49/1128634649.db2.gz IMUAPQREGAFBOB-QDYJBQRPSA-N 0 1 289.354 3.633 20 0 CHADMN CCCC[C@@H](CC)CN(C)[C@@H](C)c1nc(C)no1 ZINC000570980999 1128634967 /nfs/dbraw/zinc/63/49/67/1128634967.db2.gz AUBPMLQEIYXDOI-WCQYABFASA-N 0 1 253.390 3.587 20 0 CHADMN CC[C@H]1CC[C@H]([NH2+]Cc2c(F)ccc([O-])c2F)CC1 ZINC000556895042 1128635186 /nfs/dbraw/zinc/63/51/86/1128635186.db2.gz GWLVDWIFUPKUEV-XYPYZODXSA-N 0 1 269.335 3.729 20 0 CHADMN CCOC[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000072976670 1128637871 /nfs/dbraw/zinc/63/78/71/1128637871.db2.gz CTLFREGWFBETQF-LBPRGKRZSA-N 0 1 285.790 3.728 20 0 CHADMN Cc1ccc(NC(=O)NCc2nc3cccc(C)c3[nH]2)cc1 ZINC000131912236 1128640236 /nfs/dbraw/zinc/64/02/36/1128640236.db2.gz STSAXAHLCAZJTK-UHFFFAOYSA-N 0 1 294.358 3.501 20 0 CHADMN O=C(c1cccc(C(F)(F)F)c1O)N1CCCC12CCC2 ZINC000572057855 1128641592 /nfs/dbraw/zinc/64/15/92/1128641592.db2.gz PMISSRZUUUDZHT-UHFFFAOYSA-N 0 1 299.292 3.570 20 0 CHADMN CCc1ccc(C[N@H+]2CCCc3cc(OC)ccc3C2)cn1 ZINC000572205790 1128643297 /nfs/dbraw/zinc/64/32/97/1128643297.db2.gz ZFHLPSGDEUEOHV-UHFFFAOYSA-N 0 1 296.414 3.601 20 0 CHADMN CCc1ccc(CN2CCCc3cc(OC)ccc3C2)cn1 ZINC000572205790 1128643299 /nfs/dbraw/zinc/64/32/99/1128643299.db2.gz ZFHLPSGDEUEOHV-UHFFFAOYSA-N 0 1 296.414 3.601 20 0 CHADMN CCCCOc1ccc(CN(C)Cc2ccc[nH]2)cc1 ZINC000556914763 1128643677 /nfs/dbraw/zinc/64/36/77/1128643677.db2.gz CKKHKHCTZBNSSS-UHFFFAOYSA-N 0 1 272.392 3.826 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2cccc(F)c2N)c1 ZINC000638457906 1128644291 /nfs/dbraw/zinc/64/42/91/1128644291.db2.gz PLAFEZKZLVRRBB-GFCCVEGCSA-N 0 1 288.366 3.657 20 0 CHADMN Cc1ccccc1[C@H](NCc1cc[nH]n1)C1CCCC1 ZINC000572339484 1128644686 /nfs/dbraw/zinc/64/46/86/1128644686.db2.gz DXZLTBUUXKEGHG-QGZVFWFLSA-N 0 1 269.392 3.739 20 0 CHADMN CC(C)N(Cc1ccn(-c2c(F)cccc2F)n1)C1CC1 ZINC000132329223 1128647370 /nfs/dbraw/zinc/64/73/70/1128647370.db2.gz NJYDSWQLMBYXPF-UHFFFAOYSA-N 0 1 291.345 3.523 20 0 CHADMN C[N@@H+](CC1CCCCC1)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000572889416 1128648316 /nfs/dbraw/zinc/64/83/16/1128648316.db2.gz MYKCRJPDTQJVBL-HNNXBMFYSA-N 0 1 295.810 3.978 20 0 CHADMN CC(C)Oc1ccccc1CN1CCC(F)(F)[C@H](C)C1 ZINC000572890506 1128648733 /nfs/dbraw/zinc/64/87/33/1128648733.db2.gz DDBUBBJEJQBIEM-CYBMUJFWSA-N 0 1 283.362 3.951 20 0 CHADMN C[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(Cl)c1O ZINC000556951812 1128650304 /nfs/dbraw/zinc/65/03/04/1128650304.db2.gz VRKFPJQDUBHHCE-NXEZZACHSA-N 0 1 265.740 3.586 20 0 CHADMN CCC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@@H]1c1cccs1 ZINC000073621740 1128646115 /nfs/dbraw/zinc/64/61/15/1128646115.db2.gz WIGGBJBAMQJKMQ-BFHYXJOUSA-N 0 1 294.464 3.578 20 0 CHADMN COc1ccc([C@@H](NC2CC(C)C2)c2ccco2)cc1 ZINC000573472038 1128655072 /nfs/dbraw/zinc/65/50/72/1128655072.db2.gz SJBZCMZKMAOVLL-MKTAYPAQSA-N 0 1 271.360 3.766 20 0 CHADMN CC[C@@H]1CCCCCN1Cc1cnc(Cl)s1 ZINC000157682727 1128660593 /nfs/dbraw/zinc/66/05/93/1128660593.db2.gz OUBVAVZDLUVCIE-SNVBAGLBSA-N 0 1 258.818 3.951 20 0 CHADMN CCC[C@@H](N[C@H]1CCSC1)c1ncccc1Cl ZINC000925477682 1128664084 /nfs/dbraw/zinc/66/40/84/1128664084.db2.gz GDILMHPQAPRWJN-CMPLNLGQSA-N 0 1 270.829 3.671 20 0 CHADMN Clc1ccc(SCCN2CCOC3(CCC3)C2)cc1 ZINC000499241235 1128664566 /nfs/dbraw/zinc/66/45/66/1128664566.db2.gz FAROAXCKGUWDFU-UHFFFAOYSA-N 0 1 297.851 3.687 20 0 CHADMN CC[C@H]1CN(CCCOc2ccc(C)c(C)c2)C[C@H](C)O1 ZINC000600700828 1128678601 /nfs/dbraw/zinc/67/86/01/1128678601.db2.gz IMOJIFQRFCINTD-IRXDYDNUSA-N 0 1 291.435 3.572 20 0 CHADMN CC[C@@H](N[C@@H](C)c1c[nH]nc1C)c1ccccc1OC ZINC000779014317 1128678958 /nfs/dbraw/zinc/67/89/58/1128678958.db2.gz ODOINXBMVLPBEW-XHDPSFHLSA-N 0 1 273.380 3.529 20 0 CHADMN Cc1ncc(CNCc2ccc(OC(C)(C)C)cc2)s1 ZINC000920415388 1128680770 /nfs/dbraw/zinc/68/07/70/1128680770.db2.gz QKPNMHHYDKUJKZ-UHFFFAOYSA-N 0 1 290.432 3.919 20 0 CHADMN c1coc(C[N@H+](CCC[C@H]2CCO2)Cc2ccccc2)c1 ZINC000637862519 1129232413 /nfs/dbraw/zinc/23/24/13/1129232413.db2.gz YEOSWUDLPAHUEF-KRWDZBQOSA-N 0 1 285.387 3.851 20 0 CHADMN Cc1cccc(NC(=O)CN2CCC[C@H]2c2ccccc2)c1 ZINC000010310928 1128690749 /nfs/dbraw/zinc/69/07/49/1128690749.db2.gz MGCJVNHNALTIRD-SFHVURJKSA-N 0 1 294.398 3.771 20 0 CHADMN CC(C)CCN(C)Cn1c2ccccc2oc1=S ZINC000921049877 1128699525 /nfs/dbraw/zinc/69/95/25/1128699525.db2.gz IPWGZOCPYCFMCV-UHFFFAOYSA-N 0 1 264.394 3.899 20 0 CHADMN Cc1c(C)c(C)c(C[N@H+](C)[C@H](C)CC(=O)[O-])c(C)c1C ZINC000578027802 1128703485 /nfs/dbraw/zinc/70/34/85/1128703485.db2.gz LTIVLMKKDBNHHR-SNVBAGLBSA-N 0 1 277.408 3.524 20 0 CHADMN CC(C)C[C@@H]1CCCN(Cc2ccc(Cl)cn2)C1 ZINC000578037816 1128704410 /nfs/dbraw/zinc/70/44/10/1128704410.db2.gz XNWFYOURECOWIU-ZDUSSCGKSA-N 0 1 266.816 3.993 20 0 CHADMN C[C@H](NCc1cc(Cl)ccc1Cl)c1cc[nH]c(=O)c1 ZINC000578030050 1128704495 /nfs/dbraw/zinc/70/44/95/1128704495.db2.gz XOUXDRMRZRTIRQ-VIFPVBQESA-N 0 1 297.185 3.945 20 0 CHADMN C[C@H]1Cc2cc(CN[C@@H]3CCOc4ccccc43)ccc2O1 ZINC000921487868 1128710403 /nfs/dbraw/zinc/71/04/03/1128710403.db2.gz ZICYDWVDLPUSQN-SUMWQHHRSA-N 0 1 295.382 3.623 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccc3cnn(C)c3c2)o1 ZINC000578477036 1128718608 /nfs/dbraw/zinc/71/86/08/1128718608.db2.gz WMGUUKBHIWEIIM-GFCCVEGCSA-N 0 1 283.375 3.580 20 0 CHADMN CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000609635846 1128720944 /nfs/dbraw/zinc/72/09/44/1128720944.db2.gz SJECKPBRUIDEJL-WBVHZDCISA-N 0 1 279.424 3.541 20 0 CHADMN Cc1ccc(F)c(CN2CCC=C(c3ccccn3)C2)c1 ZINC000578545686 1128721122 /nfs/dbraw/zinc/72/11/22/1128721122.db2.gz ZEKZRIOSDZHMJK-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN COC(=O)c1ccc2c(c1)CN(C[C@@H](C)c1ccccc1)C2 ZINC000609738970 1128724803 /nfs/dbraw/zinc/72/48/03/1128724803.db2.gz DOVUKHQHGFQOTD-CQSZACIVSA-N 0 1 295.382 3.593 20 0 CHADMN C[C@@H](NCc1cc(Cl)cc2c1OCC2)c1cccnc1 ZINC000136386220 1128731261 /nfs/dbraw/zinc/73/12/61/1128731261.db2.gz KLAMGYMBECZRHA-LLVKDONJSA-N 0 1 288.778 3.521 20 0 CHADMN C[C@@H](NCc1cc(Cl)cc2c1OCC2)c1ccncc1 ZINC000136384133 1128731607 /nfs/dbraw/zinc/73/16/07/1128731607.db2.gz DGHWYZHKGLSMES-LLVKDONJSA-N 0 1 288.778 3.521 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000578899626 1128732562 /nfs/dbraw/zinc/73/25/62/1128732562.db2.gz XTUCENYQGUVSIR-XJKCOSOUSA-N 0 1 273.376 3.538 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cn(C)nc2C(F)F)cc1 ZINC000274490940 1117744361 /nfs/dbraw/zinc/74/43/61/1117744361.db2.gz OXSSQBRNFQPAOI-GFCCVEGCSA-N 0 1 293.361 3.859 20 0 CHADMN CC1CCC(C)(CNC(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000622571892 1117746205 /nfs/dbraw/zinc/74/62/05/1117746205.db2.gz OIRFEUWCHZNFTI-UHFFFAOYSA-N 0 1 295.810 3.992 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)Nc2ncc(Cl)s2)n[nH]1 ZINC000683079673 1117753730 /nfs/dbraw/zinc/75/37/30/1117753730.db2.gz VHBPBIXTWHZDLY-RQJHMYQMSA-N 0 1 285.804 3.601 20 0 CHADMN CC[C@H](C)N1CCN(C(=O)C2(CC(C)C)CCCC2)CC1 ZINC000622657953 1117754153 /nfs/dbraw/zinc/75/41/53/1117754153.db2.gz MZYZLBKRTMDOAP-INIZCTEOSA-N 0 1 294.483 3.536 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1CC(=O)c1c[nH]c2ccccc12 ZINC000034989152 1117755343 /nfs/dbraw/zinc/75/53/43/1117755343.db2.gz AGXBCMKYSIKQMM-BETUJISGSA-N 0 1 270.376 3.614 20 0 CHADMN C[C@]1(F)CCN(Cc2ccccc2C2CC2)C[C@@H]1F ZINC001139880191 1117756498 /nfs/dbraw/zinc/75/64/98/1117756498.db2.gz CKENEESNFMGMJP-HOTGVXAUSA-N 0 1 265.347 3.836 20 0 CHADMN CC(C)OCCCN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000274560458 1117756982 /nfs/dbraw/zinc/75/69/82/1117756982.db2.gz FVIZDPXHUNXSAJ-SECBINFHSA-N 0 1 296.358 3.628 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CC(C)(C)C[C@H]3C)n[nH]2)cc1 ZINC000622709264 1117757964 /nfs/dbraw/zinc/75/79/64/1117757964.db2.gz CPYXGNKILHAFRE-CYBMUJFWSA-N 0 1 297.402 3.646 20 0 CHADMN FC(F)c1ccc(CN2CCOC[C@@H]2C2CCC2)cc1 ZINC000579706444 1117759059 /nfs/dbraw/zinc/75/90/59/1117759059.db2.gz FLPQKKKOMQXYJX-OAHLLOKOSA-N 0 1 281.346 3.625 20 0 CHADMN C[C@H]1C[C@H](NCc2cc(C(F)(F)F)ccc2Cl)CO1 ZINC000579712275 1117760579 /nfs/dbraw/zinc/76/05/79/1117760579.db2.gz QAPNGTOMSQFVMR-KWQFWETISA-N 0 1 293.716 3.626 20 0 CHADMN C[N@@H+](Cc1ccccn1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361239598 1117765014 /nfs/dbraw/zinc/76/50/14/1117765014.db2.gz WDDVURKUAUOZEK-STQMWFEESA-N 0 1 272.314 3.635 20 0 CHADMN CN(Cc1ccccn1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361239598 1117765017 /nfs/dbraw/zinc/76/50/17/1117765017.db2.gz WDDVURKUAUOZEK-STQMWFEESA-N 0 1 272.314 3.635 20 0 CHADMN Cc1ccc2nc(CNC(=O)CC3(C)CCCCC3)[nH]c2c1 ZINC000510040940 1117782499 /nfs/dbraw/zinc/78/24/99/1117782499.db2.gz NUTHZNVMUUVYDS-UHFFFAOYSA-N 0 1 299.418 3.848 20 0 CHADMN Cc1cc([C@H](C)[N@H+]2CCCc3ccccc3C2)oc1C(=O)[O-] ZINC000578995565 1128735311 /nfs/dbraw/zinc/73/53/11/1128735311.db2.gz OFUILPHTNYGCGJ-ZDUSSCGKSA-N 0 1 299.370 3.796 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccco1 ZINC000160213222 1117784661 /nfs/dbraw/zinc/78/46/61/1117784661.db2.gz MPFDOIHJMLUDCR-UONOGXRCSA-N 0 1 298.386 3.818 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1cncc2ccccc21 ZINC000796672752 1117785886 /nfs/dbraw/zinc/78/58/86/1117785886.db2.gz NONKCKBVTDLVAL-UHFFFAOYSA-N 0 1 295.386 3.865 20 0 CHADMN CCCCN(Cc1cnn(C)c1)[C@@H](C)c1ccc(C)o1 ZINC000624195136 1117790780 /nfs/dbraw/zinc/79/07/80/1117790780.db2.gz MHLGPTWMKIKYHV-AWEZNQCLSA-N 0 1 275.396 3.685 20 0 CHADMN CC1(CC(F)F)CN(Cc2cc3ccccc3o2)C1 ZINC000648058693 1117808985 /nfs/dbraw/zinc/80/89/85/1117808985.db2.gz YKJUCRUIKHKSHF-UHFFFAOYSA-N 0 1 265.303 3.910 20 0 CHADMN Cc1ccc(C[N@H+](Cc2ccc(O)cc2)CC2CC2)nc1 ZINC000349039468 1117809739 /nfs/dbraw/zinc/80/97/39/1117809739.db2.gz YAGUDBGBDZKMFX-UHFFFAOYSA-N 0 1 282.387 3.508 20 0 CHADMN C[C@H](N[C@@H](C)c1ccnc(Cl)c1)c1ccns1 ZINC000858575929 1117810235 /nfs/dbraw/zinc/81/02/35/1117810235.db2.gz GDOPMPDRJGZXEW-IUCAKERBSA-N 0 1 267.785 3.603 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cnc(C(C)(C)C)nc1)CC2 ZINC000671307229 1117825136 /nfs/dbraw/zinc/82/51/36/1117825136.db2.gz JVIXUONGHRLKKK-QGZVFWFLSA-N 0 1 295.430 3.860 20 0 CHADMN Clc1cscc1CN1CCC[C@H]1[C@H]1CCCO1 ZINC000671309355 1117828809 /nfs/dbraw/zinc/82/88/09/1117828809.db2.gz XHJQBZLZOABDMJ-QWHCGFSZSA-N 0 1 271.813 3.545 20 0 CHADMN CCSc1ccc([C@@H](C)NCc2ccnn2CC)cc1 ZINC000119062990 1117837000 /nfs/dbraw/zinc/83/70/00/1117837000.db2.gz KSBRMAOVXPOQCR-CYBMUJFWSA-N 0 1 289.448 3.866 20 0 CHADMN CC(C)(NCCCCCOc1ccccc1)C(F)F ZINC000684413921 1117849046 /nfs/dbraw/zinc/84/90/46/1117849046.db2.gz LEBBDQTXMAWFCK-UHFFFAOYSA-N 0 1 271.351 3.869 20 0 CHADMN CC[C@H](NCc1cccc2n[nH]cc21)c1nc(C)cs1 ZINC000623406122 1117852484 /nfs/dbraw/zinc/85/24/84/1117852484.db2.gz LBGFTDMZJMDJGX-ZDUSSCGKSA-N 0 1 286.404 3.569 20 0 CHADMN C[C@H](CN[C@@H](C)c1nc(C(C)(C)C)no1)C(C)(C)C ZINC000670269958 1117852851 /nfs/dbraw/zinc/85/28/51/1117852851.db2.gz FLKVVIRQKFCZMI-MNOVXSKESA-N 0 1 267.417 3.700 20 0 CHADMN Cc1ccc(/C=C\c2nc(C3(N)CCC3)no2)cc1Cl ZINC000579122167 1128738745 /nfs/dbraw/zinc/73/87/45/1128738745.db2.gz VWEDMULNOAAKTQ-WAYWQWQTSA-N 0 1 289.766 3.540 20 0 CHADMN Fc1cc(Cl)ccc1CNc1cc2c(cn1)CCC2 ZINC000339557404 1117854592 /nfs/dbraw/zinc/85/45/92/1117854592.db2.gz WLJVNQUAZBDYMH-UHFFFAOYSA-N 0 1 276.742 3.975 20 0 CHADMN C[C@H](CNCc1c(F)ccc(F)c1Cl)c1ccccn1 ZINC000623562299 1117872113 /nfs/dbraw/zinc/87/21/13/1117872113.db2.gz NZAFGYLWICMLSI-SNVBAGLBSA-N 0 1 296.748 3.907 20 0 CHADMN Cc1cc2ccccc2c(N2CC(c3cccnc3)C2)n1 ZINC001167067927 1117876118 /nfs/dbraw/zinc/87/61/18/1117876118.db2.gz SYIHZKWIYXUUKK-UHFFFAOYSA-N 0 1 275.355 3.542 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)C34CC(C3)C4)cc2[nH]1 ZINC000623608683 1117879060 /nfs/dbraw/zinc/87/90/60/1117879060.db2.gz XMKKJRKMGNRXJQ-UHFFFAOYSA-N 0 1 283.375 3.599 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NCC1CCCCCCC1 ZINC000763963050 1117880077 /nfs/dbraw/zinc/88/00/77/1117880077.db2.gz MMRVNFBLNNWTFK-UHFFFAOYSA-N 0 1 291.439 3.932 20 0 CHADMN Cc1cccc([C@H](C)NCc2cn3ccsc3n2)c1C ZINC000177759058 1117880640 /nfs/dbraw/zinc/88/06/40/1117880640.db2.gz IYWUFCHOTYVSMH-ZDUSSCGKSA-N 0 1 285.416 3.863 20 0 CHADMN C[C@@H]1CCN(Cc2csc(C(C)(C)C)n2)[C@@H]1C ZINC000177881350 1117880806 /nfs/dbraw/zinc/88/08/06/1117880806.db2.gz WOOKZCCXBWHVSI-GHMZBOCLSA-N 0 1 252.427 3.671 20 0 CHADMN COCC[N@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000430215921 1117885343 /nfs/dbraw/zinc/88/53/43/1117885343.db2.gz FQIVYSFIPHDGNL-CQSZACIVSA-N 0 1 298.224 3.541 20 0 CHADMN COCCN1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000430215921 1117885351 /nfs/dbraw/zinc/88/53/51/1117885351.db2.gz FQIVYSFIPHDGNL-CQSZACIVSA-N 0 1 298.224 3.541 20 0 CHADMN C[C@@H]1CN(Cc2cc(Cl)cc3cccnc32)[C@H]1C ZINC000339569596 1117885449 /nfs/dbraw/zinc/88/54/49/1117885449.db2.gz RUMWJQQAPXVXLP-MNOVXSKESA-N 0 1 260.768 3.728 20 0 CHADMN C[C@H](NCc1ccnc(N2CCCCC2)c1)c1ccoc1 ZINC000178172153 1117889026 /nfs/dbraw/zinc/88/90/26/1117889026.db2.gz QMXIYKHVTBWENP-AWEZNQCLSA-N 0 1 285.391 3.516 20 0 CHADMN CCCN(Cc1nc(-c2ccc(F)c(C)c2)no1)C1CC1 ZINC000178414011 1117891141 /nfs/dbraw/zinc/89/11/41/1117891141.db2.gz PLCLTRAZVXJRGV-UHFFFAOYSA-N 0 1 289.354 3.559 20 0 CHADMN CCc1cccc2cc(CNCc3cccnc3C)oc21 ZINC000623703457 1117895293 /nfs/dbraw/zinc/89/52/93/1117895293.db2.gz OAWBVQAUOHCVSO-UHFFFAOYSA-N 0 1 280.371 3.988 20 0 CHADMN Cc1ncccc1CNCc1ccc(F)c(C(F)(F)F)c1 ZINC000623702812 1117896884 /nfs/dbraw/zinc/89/68/84/1117896884.db2.gz KLVRVDIQZIFBTG-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN CC[C@H](N[C@H](CO)c1ccsc1)c1ccc(OC)cc1 ZINC000349418670 1117898603 /nfs/dbraw/zinc/89/86/03/1117898603.db2.gz QBKBCNQYSZVAQP-JKSUJKDBSA-N 0 1 291.416 3.531 20 0 CHADMN CCN(Cc1coc(-c2ccc(F)c(F)c2)n1)C1CC1 ZINC000171498753 1117903306 /nfs/dbraw/zinc/90/33/06/1117903306.db2.gz POSYYESMSMKURE-UHFFFAOYSA-N 0 1 278.302 3.604 20 0 CHADMN C[C@@H](C1CC1)N(Cc1csc(C2CC2)n1)C1CC1 ZINC000179478651 1117906403 /nfs/dbraw/zinc/90/64/03/1117906403.db2.gz SMBPWWYWGCHOIX-JTQLQIEISA-N 0 1 262.422 3.783 20 0 CHADMN CCN(Cc1cccs1)Cc1cn(C)nc1C(C)(C)C ZINC000179604379 1117908919 /nfs/dbraw/zinc/90/89/19/1117908919.db2.gz OOZNTWPOAGNGBO-UHFFFAOYSA-N 0 1 291.464 3.801 20 0 CHADMN COC(C)(C)[C@@H](C)NCc1ncc(-c2ccc(C)cc2)o1 ZINC000932368479 1117909376 /nfs/dbraw/zinc/90/93/76/1117909376.db2.gz GOEGUTNNSKHKSZ-CYBMUJFWSA-N 0 1 288.391 3.553 20 0 CHADMN Fc1cccc(CN(Cc2cccc3nccn32)C2CC2)c1 ZINC000179679310 1117909952 /nfs/dbraw/zinc/90/99/52/1117909952.db2.gz UMUWEJCXZAWZBF-UHFFFAOYSA-N 0 1 295.361 3.638 20 0 CHADMN Cc1ccoc1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179845762 1117914492 /nfs/dbraw/zinc/91/44/92/1117914492.db2.gz SSSFFHUYKPLASL-UHFFFAOYSA-N 0 1 291.257 3.654 20 0 CHADMN CCC(C)(C)[C@@H]1CCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000579848156 1117914513 /nfs/dbraw/zinc/91/45/13/1117914513.db2.gz PEWDMQNJWMYDTJ-INIZCTEOSA-N 0 1 289.419 3.828 20 0 CHADMN Cc1nocc1CN[C@H]1CCCc2ccc(Cl)cc21 ZINC000623751774 1117918120 /nfs/dbraw/zinc/91/81/20/1117918120.db2.gz LXDQAKWBSHYVDN-HNNXBMFYSA-N 0 1 276.767 3.804 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cn2c3ccccc3n(C)c2=S)CC1 ZINC000748082136 1117933471 /nfs/dbraw/zinc/93/34/71/1117933471.db2.gz GDVWFGPRQHUZBO-CYBMUJFWSA-N 0 1 289.448 3.789 20 0 CHADMN C[C@@H]1CCCN(Cn2c3ccccc3n(C)c2=S)CC1 ZINC000748082136 1117933472 /nfs/dbraw/zinc/93/34/72/1117933472.db2.gz GDVWFGPRQHUZBO-CYBMUJFWSA-N 0 1 289.448 3.789 20 0 CHADMN COc1cc(-c2nc3ccc(F)cc3[nH]2)cc(Cl)c1O ZINC000069835916 1117934582 /nfs/dbraw/zinc/93/45/82/1117934582.db2.gz QNIOWBZLGAWSAX-UHFFFAOYSA-N 0 1 292.697 3.737 20 0 CHADMN OCc1ccc(CN[C@@H]2CCCc3ccc(Cl)cc32)o1 ZINC000623833297 1117941238 /nfs/dbraw/zinc/94/12/38/1117941238.db2.gz XKYIRCJZFIYUOD-MRXNPFEDSA-N 0 1 291.778 3.593 20 0 CHADMN Cc1cccc(CN(C)Cc2cccc(OC(C)C)c2)n1 ZINC000339629302 1117942417 /nfs/dbraw/zinc/94/24/17/1117942417.db2.gz SZMXFNSRKYRGFQ-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN COc1ccc(CN2Cc3cc(C)ccc3CC2(C)C)nc1 ZINC000339635690 1117944506 /nfs/dbraw/zinc/94/45/06/1117944506.db2.gz DGDMGXBAJLGQNN-UHFFFAOYSA-N 0 1 296.414 3.736 20 0 CHADMN CCCC[N@@H+](Cc1nnc(C)o1)[C@@H]1CCC[C@H](C)C1 ZINC000339649287 1117947090 /nfs/dbraw/zinc/94/70/90/1117947090.db2.gz UEITYMJJWXDLKO-GXTWGEPZSA-N 0 1 265.401 3.559 20 0 CHADMN Cc1noc(C)c1CCN1CC[C@H]1c1ccc(Cl)cc1 ZINC000339663498 1117950568 /nfs/dbraw/zinc/95/05/68/1117950568.db2.gz RGZRXZPOCIOJIU-INIZCTEOSA-N 0 1 290.794 3.934 20 0 CHADMN Cc1csc([C@H](C)NC[C@H](C)Oc2ccc(C)cc2)n1 ZINC000623899517 1117950582 /nfs/dbraw/zinc/95/05/82/1117950582.db2.gz KMGWQQRHCAFSPB-KBPBESRZSA-N 0 1 290.432 3.878 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@H](C)N2CC(C)=C[C@H](C)C2)c1 ZINC000430261954 1117954144 /nfs/dbraw/zinc/95/41/44/1117954144.db2.gz KSGLITHPBFGQPZ-BBRMVZONSA-N 0 1 286.419 3.528 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccccn1)c1ccccc1OC ZINC000036995056 1117955206 /nfs/dbraw/zinc/95/52/06/1117955206.db2.gz RHHNJFHDPHKUKO-UKRRQHHQSA-N 0 1 270.376 3.892 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(C(C)C)c2)ncn1 ZINC000623924887 1117957345 /nfs/dbraw/zinc/95/73/45/1117957345.db2.gz QVSYGEKTOIUGRA-CQSZACIVSA-N 0 1 269.392 3.759 20 0 CHADMN OC1(CNCc2c(Cl)ccc(Cl)c2Cl)CCC1 ZINC000134515444 1117962893 /nfs/dbraw/zinc/96/28/93/1117962893.db2.gz ZOTDGJBMCOQOHA-UHFFFAOYSA-N 0 1 294.609 3.651 20 0 CHADMN CC(C)C[C@@H]1OCCC[C@H]1N[C@H]1CCCc2scnc21 ZINC000623964056 1117963279 /nfs/dbraw/zinc/96/32/79/1117963279.db2.gz YBHKANYTXBSCPO-RDBSUJKOSA-N 0 1 294.464 3.704 20 0 CHADMN CO[C@H]1CCN(Cc2nsc3ccccc32)CC1(C)C ZINC000660719529 1117964131 /nfs/dbraw/zinc/96/41/31/1117964131.db2.gz CSCFXGXEPLGDPU-HNNXBMFYSA-N 0 1 290.432 3.543 20 0 CHADMN CCO[C@@H](CN[C@H](C)c1nc(C)cs1)c1ccccc1 ZINC000623971770 1117964302 /nfs/dbraw/zinc/96/43/02/1117964302.db2.gz GUILVEOJQLQWPN-HIFRSBDPSA-N 0 1 290.432 3.880 20 0 CHADMN CC1=C[C@H](C)CN(Cc2coc(-c3ccccc3)n2)C1 ZINC000430269005 1117966819 /nfs/dbraw/zinc/96/68/19/1117966819.db2.gz OTYQCGYDVWNSDH-ZDUSSCGKSA-N 0 1 268.360 3.740 20 0 CHADMN C[N@@H+](Cc1ccc(C(C)(C)C)s1)[C@@H]1CCCOC1 ZINC000579407776 1128747186 /nfs/dbraw/zinc/74/71/86/1128747186.db2.gz NMSRSGAFKLYAMF-GFCCVEGCSA-N 0 1 267.438 3.656 20 0 CHADMN FC(F)[C@H](CCc1ccccc1)NCC[C@@H]1CCCOC1 ZINC000624036426 1117973601 /nfs/dbraw/zinc/97/36/01/1117973601.db2.gz LSWMCIHEIXXWJU-HOTGVXAUSA-N 0 1 297.389 3.659 20 0 CHADMN Cc1cc2cc(CN[C@H](C)c3cn[nH]c3)oc2cc1C ZINC000339794215 1117975315 /nfs/dbraw/zinc/97/53/15/1117975315.db2.gz KFTQNLNABKWMQS-GFCCVEGCSA-N 0 1 269.348 3.624 20 0 CHADMN COCCC[C@H](C)N[C@@H](CCc1ccccc1)C(F)F ZINC000624124549 1117986618 /nfs/dbraw/zinc/98/66/18/1117986618.db2.gz FRZDQKMPUOTORH-ZFWWWQNUSA-N 0 1 285.378 3.658 20 0 CHADMN Cc1cc(C)c(C[N@@H+]2CC[C@](C(=O)[O-])(C(C)C)C2)c(C)c1 ZINC000232779462 1117989691 /nfs/dbraw/zinc/98/96/91/1117989691.db2.gz FNKKEHCXWMNHFD-GOSISDBHSA-N 0 1 289.419 3.545 20 0 CHADMN CC1=C[C@H](C)CN([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000430279953 1117991053 /nfs/dbraw/zinc/99/10/53/1117991053.db2.gz NYVZYVHDPLVHRV-WCQYABFASA-N 0 1 292.810 3.565 20 0 CHADMN CC1=C[C@@H](C)CN([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000430284284 1117994285 /nfs/dbraw/zinc/99/42/85/1117994285.db2.gz LJGCFTFYBPEGIL-PWSUYJOCSA-N 0 1 251.320 3.924 20 0 CHADMN CCCc1cnc(NC(=O)c2c(C)n[nH]c2C(C)C)s1 ZINC000181272527 1117997232 /nfs/dbraw/zinc/99/72/32/1117997232.db2.gz FTMMYOOHAMDGNH-UHFFFAOYSA-N 0 1 292.408 3.503 20 0 CHADMN Cc1ccccc1OCCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000510157676 1118004738 /nfs/dbraw/zinc/00/47/38/1118004738.db2.gz AFWYBSRWQZSIIY-QGZVFWFLSA-N 0 1 299.418 3.714 20 0 CHADMN C[C@]1(CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)C[C@H]2C[C@H]2C1 ZINC000624200913 1118005688 /nfs/dbraw/zinc/00/56/88/1118005688.db2.gz VNTACBWGKGOUII-JSSFPYSZSA-N 0 1 299.393 3.664 20 0 CHADMN CC(C)(NCc1cn[nH]c1)c1ccc(Cl)c(Cl)c1 ZINC000624218606 1118016377 /nfs/dbraw/zinc/01/63/77/1118016377.db2.gz REZJUGGAKPAGHN-UHFFFAOYSA-N 0 1 284.190 3.741 20 0 CHADMN COc1ccccc1[C@H](C)N(C)c1ccc(C)c(C)n1 ZINC001167105693 1118020565 /nfs/dbraw/zinc/02/05/65/1118020565.db2.gz KYVVNBRYXYUUFC-AWEZNQCLSA-N 0 1 270.376 3.904 20 0 CHADMN CC[C@H](NCc1c(F)cccc1Cl)[C@H]1CCCO1 ZINC000182357801 1118020650 /nfs/dbraw/zinc/02/06/50/1118020650.db2.gz DOTJLCPQFJZIRL-UONOGXRCSA-N 0 1 271.763 3.526 20 0 CHADMN CC[C@@H](C)CCc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000579525932 1128750414 /nfs/dbraw/zinc/75/04/14/1128750414.db2.gz VONMKCZRWWQHEU-SNVBAGLBSA-N 0 1 284.363 3.900 20 0 CHADMN C/C=C(\C)C(=O)N[C@H](c1nc2ccccc2[nH]1)[C@H](C)CC ZINC000081702398 1118025540 /nfs/dbraw/zinc/02/55/40/1118025540.db2.gz XBSCHIPJAFOOTA-LRZSVJHZSA-N 0 1 285.391 3.733 20 0 CHADMN Cc1cccc(-c2noc([C@H]3CCN3C3CCCC3)n2)c1 ZINC000923771693 1118032829 /nfs/dbraw/zinc/03/28/29/1118032829.db2.gz DBFKVINQAPBCIV-OAHLLOKOSA-N 0 1 283.375 3.734 20 0 CHADMN Fc1ccc(-c2noc([C@H]3CCN3C3CCCC3)n2)cc1 ZINC000923771550 1118033601 /nfs/dbraw/zinc/03/36/01/1118033601.db2.gz UADNLZHJHSBVAK-CQSZACIVSA-N 0 1 287.338 3.565 20 0 CHADMN CC(C)c1cnc(CN2C[C@@H](C)CC[C@@H]2C)s1 ZINC000183082732 1118037379 /nfs/dbraw/zinc/03/73/79/1118037379.db2.gz RTNHVFFYEYRECZ-RYUDHWBXSA-N 0 1 252.427 3.887 20 0 CHADMN CCC[C@@H](C)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000187711460 1118040245 /nfs/dbraw/zinc/04/02/45/1118040245.db2.gz HXFZXBOJCFFLQD-DOMZBBRYSA-N 0 1 299.361 3.850 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H](C)c2ccccc21)c1nccn1C ZINC000183384752 1118043524 /nfs/dbraw/zinc/04/35/24/1118043524.db2.gz QXIDWWMRZFXYEN-WWGRRREGSA-N 0 1 269.392 3.709 20 0 CHADMN CC[C@H](c1ccccc1)N(C)c1cccc(N(C)C)n1 ZINC001167129933 1118047926 /nfs/dbraw/zinc/04/79/26/1118047926.db2.gz QMYQBFAOROYLJM-OAHLLOKOSA-N 0 1 269.392 3.735 20 0 CHADMN C[C@H](c1cccnc1)N(C)C/C=C/c1ccc(F)cc1 ZINC000183723561 1118048426 /nfs/dbraw/zinc/04/84/26/1118048426.db2.gz KRDMMWFECIQYHE-ISZGNANSSA-N 0 1 270.351 3.927 20 0 CHADMN C[C@@H](c1cccnc1)N(C)C/C=C/c1ccc(F)cc1 ZINC000183723540 1118049089 /nfs/dbraw/zinc/04/90/89/1118049089.db2.gz KRDMMWFECIQYHE-NNTXTVRGSA-N 0 1 270.351 3.927 20 0 CHADMN Oc1ccc(F)c(CN2CCC(c3cccs3)CC2)c1 ZINC001140049180 1118052536 /nfs/dbraw/zinc/05/25/36/1118052536.db2.gz YTQTZGJHYNDCGG-UHFFFAOYSA-N 0 1 291.391 3.972 20 0 CHADMN c1c(CN(CC2CC2)C2CC2)noc1-c1ccccc1 ZINC001206848143 1118052636 /nfs/dbraw/zinc/05/26/36/1118052636.db2.gz QQXXKLZYBISQMJ-UHFFFAOYSA-N 0 1 268.360 3.716 20 0 CHADMN C[C@@H](NC[C@H]1CCCCO1)c1nc(C(C)(C)C)cs1 ZINC000184459458 1118054664 /nfs/dbraw/zinc/05/46/64/1118054664.db2.gz ZDJAFXQNRBBPOC-VXGBXAGGSA-N 0 1 282.453 3.660 20 0 CHADMN O=C(Nc1nc(C2CCC2)n[nH]1)c1cc2ccccc2s1 ZINC000184550441 1118056094 /nfs/dbraw/zinc/05/60/94/1118056094.db2.gz SUDYVAYIQAWVMZ-UHFFFAOYSA-N 0 1 298.371 3.539 20 0 CHADMN O=C(Nc1n[nH]c(C2CCC2)n1)c1cc2ccccc2s1 ZINC000184550441 1118056098 /nfs/dbraw/zinc/05/60/98/1118056098.db2.gz SUDYVAYIQAWVMZ-UHFFFAOYSA-N 0 1 298.371 3.539 20 0 CHADMN CCCCCN[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185063496 1118059539 /nfs/dbraw/zinc/05/95/39/1118059539.db2.gz MXMFCQFWHXPBER-NSHDSACASA-N 0 1 277.343 3.717 20 0 CHADMN CC(C)[C@H](NCc1ccc(Cl)nc1)c1ccccn1 ZINC000083471032 1118061518 /nfs/dbraw/zinc/06/15/18/1118061518.db2.gz JHRMBRVOYUYRMW-HNNXBMFYSA-N 0 1 275.783 3.617 20 0 CHADMN Cc1cc(CN2CCC(F)(F)CC2)cc(C)c1F ZINC001143377524 1118063427 /nfs/dbraw/zinc/06/34/27/1118063427.db2.gz YDROZAUOOCHNBA-UHFFFAOYSA-N 0 1 257.299 3.674 20 0 CHADMN CC[C@H](CSC)N(C)Cn1ccc(-c2ccsc2)n1 ZINC000091024591 1118063559 /nfs/dbraw/zinc/06/35/59/1118063559.db2.gz ZQKZSUBMGQIQRA-CYBMUJFWSA-N 0 1 295.477 3.643 20 0 CHADMN COc1ccc(C)cc1CN[C@@H](c1cccnc1)C1CC1 ZINC000340108333 1118067446 /nfs/dbraw/zinc/06/74/46/1118067446.db2.gz HSXYATMLFDZBQH-GOSISDBHSA-N 0 1 282.387 3.640 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000380459207 1118071103 /nfs/dbraw/zinc/07/11/03/1118071103.db2.gz RERKNLTWAKOQLC-STQMWFEESA-N 0 1 273.380 3.609 20 0 CHADMN CCN1CCC[C@H]1c1cccc(Br)c1 ZINC000077204337 1118073308 /nfs/dbraw/zinc/07/33/08/1118073308.db2.gz DARRXLNZZUQKJS-LBPRGKRZSA-N 0 1 254.171 3.606 20 0 CHADMN CCCC[N@@H+](C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000212272839 1118076339 /nfs/dbraw/zinc/07/63/39/1118076339.db2.gz MKDMRJGFILZUPH-GFCCVEGCSA-N 0 1 290.190 3.851 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCC1(C)CC1 ZINC000764222761 1118078505 /nfs/dbraw/zinc/07/85/05/1118078505.db2.gz DTNZDDDDHCPKQT-UHFFFAOYSA-N 0 1 284.359 3.732 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2cc(C)c(C)cc2C)o1 ZINC000398077590 1118079474 /nfs/dbraw/zinc/07/94/74/1118079474.db2.gz QGBJCPTYWBDTML-ZDUSSCGKSA-N 0 1 258.365 3.759 20 0 CHADMN COc1c(Cl)ccc(CN2C[C@H]3CCC[C@@H]3C2)c1F ZINC001209698648 1118085397 /nfs/dbraw/zinc/08/53/97/1118085397.db2.gz JZMCOVUOGNVGAX-GHMZBOCLSA-N 0 1 283.774 3.720 20 0 CHADMN C[C@H](NCCOc1ccccc1F)c1cccnc1Cl ZINC000764591175 1118100885 /nfs/dbraw/zinc/10/08/85/1118100885.db2.gz KEWMMWPLOAXENH-NSHDSACASA-N 0 1 294.757 3.604 20 0 CHADMN Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c(C)c1 ZINC000237745834 1128756263 /nfs/dbraw/zinc/75/62/63/1128756263.db2.gz NJMGLKMFKRMGQO-UHFFFAOYSA-N 0 1 275.779 3.952 20 0 CHADMN O[C@@H](CN(Cc1ccccc1)Cc1ccccc1F)C1CC1 ZINC001167227102 1118107542 /nfs/dbraw/zinc/10/75/42/1118107542.db2.gz GQVFZVBCAFGNCC-IBGZPJMESA-N 0 1 299.389 3.599 20 0 CHADMN CCCN(CCSCC)Cc1ccc(F)cc1F ZINC001167237593 1118113459 /nfs/dbraw/zinc/11/34/59/1118113459.db2.gz LWKOWTVFQCBBRQ-UHFFFAOYSA-N 0 1 273.392 3.930 20 0 CHADMN COc1cc(Nc2cnc(N)cc2C)cc2ccccc21 ZINC001209971255 1118123801 /nfs/dbraw/zinc/12/38/01/1118123801.db2.gz VNODILAPMKORCT-UHFFFAOYSA-N 0 1 279.343 3.878 20 0 CHADMN Cc1c(CNc2cc(N)c(F)cn2)cccc1C(F)(F)F ZINC001168534675 1118125393 /nfs/dbraw/zinc/12/53/93/1118125393.db2.gz MMIDAXZWWPOWDV-UHFFFAOYSA-N 0 1 299.271 3.742 20 0 CHADMN CC(C)(C)[C@@H](O)CN(Cc1ccco1)Cc1cccs1 ZINC000340281764 1118130086 /nfs/dbraw/zinc/13/00/86/1118130086.db2.gz HURFEHGSVLOJGJ-HNNXBMFYSA-N 0 1 293.432 3.750 20 0 CHADMN CC[C@@](C)(NC[C@H]1CCCC[N@H+]1C(C)C)c1nccs1 ZINC000340287624 1118132185 /nfs/dbraw/zinc/13/21/85/1118132185.db2.gz WCUWRBKSAFLCQF-GDBMZVCRSA-N 0 1 295.496 3.621 20 0 CHADMN Cc1cccc2ncc(NC3=CCC(F)(F)CC3)n21 ZINC001210032514 1118137398 /nfs/dbraw/zinc/13/73/98/1118137398.db2.gz NQJCWOVRJSHDRI-UHFFFAOYSA-N 0 1 263.291 3.758 20 0 CHADMN C[C@@H](NCc1cccc(N(C)C)n1)c1cccc(C2CC2)c1 ZINC000340310596 1118138385 /nfs/dbraw/zinc/13/83/85/1118138385.db2.gz OOKBMLJZHZKQBQ-CQSZACIVSA-N 0 1 295.430 3.876 20 0 CHADMN Cc1ncc(CN[C@H]2CCc3c2cc(F)cc3F)s1 ZINC000121279271 1118145198 /nfs/dbraw/zinc/14/51/98/1118145198.db2.gz DDZUXIYYHOYMKA-AWEZNQCLSA-N 0 1 280.343 3.507 20 0 CHADMN C[C@@H](NCc1nccc2ccccc21)c1cncc(F)c1 ZINC000765403787 1118149053 /nfs/dbraw/zinc/14/90/53/1118149053.db2.gz KTXUCEVSTOHUJX-GFCCVEGCSA-N 0 1 281.334 3.620 20 0 CHADMN O=C(CN1CCC2(CCCC2)C1)c1c[nH]c2ccccc12 ZINC000385798867 1118152038 /nfs/dbraw/zinc/15/20/38/1118152038.db2.gz RMIKVKMFGMBKDI-UHFFFAOYSA-N 0 1 282.387 3.617 20 0 CHADMN NC1(c2noc(/C=C/C3CCCCCC3)n2)CCCC1 ZINC000650228058 1118154939 /nfs/dbraw/zinc/15/49/39/1118154939.db2.gz SDGUBVDKYQHGPD-MDZDMXLPSA-N 0 1 275.396 3.781 20 0 CHADMN Cc1nc2c(n1Cc1cc(F)ccc1Cl)CCCC2 ZINC000125787077 1118155780 /nfs/dbraw/zinc/15/57/80/1118155780.db2.gz QHRGDCBBLXBGAT-UHFFFAOYSA-N 0 1 278.758 3.911 20 0 CHADMN CC[C@H](CN(C)Cc1ncc(Cl)n1C)c1ccccc1 ZINC000779159949 1128759267 /nfs/dbraw/zinc/75/92/67/1128759267.db2.gz AAGKNAJFAPJEMM-CYBMUJFWSA-N 0 1 291.826 3.699 20 0 CHADMN CSc1ccccc1C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000010895700 1118159955 /nfs/dbraw/zinc/15/99/55/1118159955.db2.gz PSHQDIAMAWOMAF-UHFFFAOYSA-N 0 1 297.383 3.846 20 0 CHADMN CC(C)N(CC(=O)Nc1ccccc1)Cc1ccccc1 ZINC000010928567 1118160857 /nfs/dbraw/zinc/16/08/57/1118160857.db2.gz ATERASVIGUIOGZ-UHFFFAOYSA-N 0 1 282.387 3.536 20 0 CHADMN CC[C@@H](C)CN(C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000171950397 1118161089 /nfs/dbraw/zinc/16/10/89/1118161089.db2.gz FHWREZDWPMHAPR-LLVKDONJSA-N 0 1 293.798 3.868 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2ccc3c(n2)CCC3)c1 ZINC000579924663 1118162848 /nfs/dbraw/zinc/16/28/48/1118162848.db2.gz JPOFDRANVLCCQS-CQSZACIVSA-N 0 1 296.414 3.820 20 0 CHADMN CN(Cc1cn[nH]c1)Cc1ccc(-c2ccsc2)cc1 ZINC000683522138 1118168945 /nfs/dbraw/zinc/16/89/45/1118168945.db2.gz RKVTZSNHMGMXEQ-UHFFFAOYSA-N 0 1 283.400 3.770 20 0 CHADMN Cc1ncsc1CN[C@@H](c1ccc(F)cc1F)C1CC1 ZINC001168543524 1118170368 /nfs/dbraw/zinc/17/03/68/1118170368.db2.gz VELNNFQYRWDSQG-OAHLLOKOSA-N 0 1 294.370 3.971 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NCC(C)(C)C1CCCC1 ZINC000121407267 1118171110 /nfs/dbraw/zinc/17/11/10/1118171110.db2.gz ZIEXRIYXWVDGLP-UHFFFAOYSA-N 0 1 291.439 3.788 20 0 CHADMN CCc1ccc(CNCc2ccnn2C2CCC2)s1 ZINC000921532449 1118172850 /nfs/dbraw/zinc/17/28/50/1118172850.db2.gz CJSAQJORLZSRMJ-UHFFFAOYSA-N 0 1 275.421 3.522 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN(C)[C@H](C)c2ccccc2)c1 ZINC000020813663 1118174311 /nfs/dbraw/zinc/17/43/11/1118174311.db2.gz HNGCBSLFRWHNHP-MRXNPFEDSA-N 0 1 296.414 3.935 20 0 CHADMN CCCCCCN[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000179806449 1128760821 /nfs/dbraw/zinc/76/08/21/1128760821.db2.gz JMLUMCYSMVIRRS-CYBMUJFWSA-N 0 1 265.401 3.814 20 0 CHADMN CCOc1ccc2nc(SCCc3ccncc3)[nH]c2c1 ZINC000023139487 1118179144 /nfs/dbraw/zinc/17/91/44/1118179144.db2.gz SUSLNLMPVISLDN-UHFFFAOYSA-N 0 1 299.399 3.691 20 0 CHADMN COc1cc(C)c(CN2CC3(C2)CC(F)(F)C3)c(C)c1 ZINC001142929290 1118179207 /nfs/dbraw/zinc/17/92/07/1118179207.db2.gz CGSZPYAGOVXIOU-UHFFFAOYSA-N 0 1 281.346 3.543 20 0 CHADMN CCC[C@H](N[C@H]1CCCn2ccnc21)c1ccccc1 ZINC000655682668 1118183918 /nfs/dbraw/zinc/18/39/18/1118183918.db2.gz IILCWCLQAQXZPM-HOTGVXAUSA-N 0 1 269.392 3.849 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCCn3ccnc32)c(C)s1 ZINC000655698336 1118187325 /nfs/dbraw/zinc/18/73/25/1118187325.db2.gz UXEIUZUAHDGDSI-FZMZJTMJSA-N 0 1 275.421 3.747 20 0 CHADMN C[C@@H]1CC[C@H](NCc2coc(-c3cccs3)n2)CS1 ZINC000655700717 1118188121 /nfs/dbraw/zinc/18/81/21/1118188121.db2.gz NZPKBANXIJAYKZ-MNOVXSKESA-N 0 1 294.445 3.777 20 0 CHADMN C[C@H]1CC[C@@H](NCc2coc(-c3cccs3)n2)CS1 ZINC000655700719 1118188161 /nfs/dbraw/zinc/18/81/61/1118188161.db2.gz NZPKBANXIJAYKZ-WDEREUQCSA-N 0 1 294.445 3.777 20 0 CHADMN c1csc([C@H](N[C@@H]2CCCn3ccnc32)C2CC2)c1 ZINC000655698914 1118188180 /nfs/dbraw/zinc/18/81/80/1118188180.db2.gz YRPCJEYWMZSAQE-TZMCWYRMSA-N 0 1 273.405 3.520 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@@H]1CCc2cc(C)ccc21 ZINC000765666875 1118188821 /nfs/dbraw/zinc/18/88/21/1118188821.db2.gz ROUJCCLJZNANAD-GOSISDBHSA-N 0 1 296.414 3.793 20 0 CHADMN CCn1cc([C@@H](C)NCc2cc3cccc(OC)c3o2)cn1 ZINC000765687733 1118189551 /nfs/dbraw/zinc/18/95/51/1118189551.db2.gz BICIBJINHXMYPL-GFCCVEGCSA-N 0 1 299.374 3.509 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@@H]2CCCn3ccnc32)c1 ZINC000655712463 1118190366 /nfs/dbraw/zinc/19/03/66/1118190366.db2.gz OBRDITMQRNMCAU-GOEBONIOSA-N 0 1 269.392 3.686 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2nc(C(C)(C)C)cs2)CS1 ZINC000655713347 1118190980 /nfs/dbraw/zinc/19/09/80/1118190980.db2.gz YYKWPMZRLLAGDQ-GHMZBOCLSA-N 0 1 284.494 3.814 20 0 CHADMN CC(C)c1csc(CN[C@H]2CC[C@H](C)SC2)n1 ZINC000655723346 1118193874 /nfs/dbraw/zinc/19/38/74/1118193874.db2.gz JQFGATHRANISAR-QWRGUYRKSA-N 0 1 270.467 3.640 20 0 CHADMN CC(C)c1ccccc1OCCN[C@@H]1CCCn2ccnc21 ZINC000655727302 1118195071 /nfs/dbraw/zinc/19/50/71/1118195071.db2.gz MGPBALFCUBYVDS-MRXNPFEDSA-N 0 1 299.418 3.510 20 0 CHADMN COc1ncc(CN[C@H](c2ccc(F)cc2)C(C)C)s1 ZINC000312544574 1118197647 /nfs/dbraw/zinc/19/76/47/1118197647.db2.gz LKFLRPNIRGHQMX-AWEZNQCLSA-N 0 1 294.395 3.778 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1N[C@@H]1CCCn2ccnc21 ZINC000655737945 1118197767 /nfs/dbraw/zinc/19/77/67/1118197767.db2.gz RTMGUORCGLBAEJ-XYPHTWIQSA-N 0 1 281.403 3.631 20 0 CHADMN Cc1cc([C@@H](N[C@H]2CCCn3ccnc32)C2CC2)ccc1F ZINC000655736925 1118197947 /nfs/dbraw/zinc/19/79/47/1118197947.db2.gz LBYQQUSJVQUKSK-IRXDYDNUSA-N 0 1 299.393 3.906 20 0 CHADMN COc1cccc([C@H](C)NCc2cnn(CC3CCC3)c2)c1 ZINC000921564627 1118199338 /nfs/dbraw/zinc/19/93/38/1118199338.db2.gz RRKUVKNSBYSSKD-AWEZNQCLSA-N 0 1 299.418 3.543 20 0 CHADMN Cc1nc2cc(N[C@@H]3CC[C@H](C)SC3)ccc2n1C ZINC000655752268 1118201637 /nfs/dbraw/zinc/20/16/37/1118201637.db2.gz PPQGLMOGHOIXRQ-GXFFZTMASA-N 0 1 275.421 3.578 20 0 CHADMN CO[C@@H](CN[C@H](C)c1ccc(Cl)s1)C(F)(F)F ZINC000765734774 1118201921 /nfs/dbraw/zinc/20/19/21/1118201921.db2.gz JHBUVBVLLRHGCZ-SVRRBLITSA-N 0 1 287.734 3.629 20 0 CHADMN CO[C@H](CN[C@@H](C)c1ccc(Cl)s1)C(F)(F)F ZINC000765734773 1118202528 /nfs/dbraw/zinc/20/25/28/1118202528.db2.gz JHBUVBVLLRHGCZ-POYBYMJQSA-N 0 1 287.734 3.629 20 0 CHADMN CSc1ccc(CNCc2nccc3c2CCCC3)cc1 ZINC000921589732 1118203390 /nfs/dbraw/zinc/20/33/90/1118203390.db2.gz PAOHTZRRZMMNHI-UHFFFAOYSA-N 0 1 298.455 3.972 20 0 CHADMN Oc1cc(F)cc(-c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000471421467 1118204661 /nfs/dbraw/zinc/20/46/61/1118204661.db2.gz FHAFKYIEBOYAOJ-UHFFFAOYSA-N 0 1 262.671 3.728 20 0 CHADMN C[C@H]1CN(Cn2cccnc2=S)CC[C@H]1c1ccccc1 ZINC000247234206 1118205435 /nfs/dbraw/zinc/20/54/35/1118205435.db2.gz XFKOUXSXDHLBNV-GOEBONIOSA-N 0 1 299.443 3.696 20 0 CHADMN C[C@H](CCC(C)(C)C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615792075 1128762665 /nfs/dbraw/zinc/76/26/65/1128762665.db2.gz LLRCRJZRJQWRFR-GFCCVEGCSA-N 0 1 287.407 3.642 20 0 CHADMN CC[C@@H](C)CCCCC(=O)NCc1ccc2nc[nH]c2c1 ZINC000615791926 1128762717 /nfs/dbraw/zinc/76/27/17/1128762717.db2.gz HIZJEGIBLJVLTA-CYBMUJFWSA-N 0 1 287.407 3.786 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H]1CCc2cc(C)cc(C)c21 ZINC000655772632 1118208595 /nfs/dbraw/zinc/20/85/95/1118208595.db2.gz QLGVLZXJXUYUOL-GOEBONIOSA-N 0 1 283.419 3.858 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCc3ccccc3NC2=O)oc1C ZINC000655792091 1118213645 /nfs/dbraw/zinc/21/36/45/1118213645.db2.gz VXHGFYNCNHMJAB-MLGOLLRUSA-N 0 1 298.386 3.501 20 0 CHADMN Cc1cc(CSc2n[nH]c(CCC3CCCC3)n2)no1 ZINC000028778760 1118214243 /nfs/dbraw/zinc/21/42/43/1118214243.db2.gz OZKZJLJZNFGUGY-UHFFFAOYSA-N 0 1 292.408 3.516 20 0 CHADMN Cc1cc(CSc2nc(CCC3CCCC3)n[nH]2)no1 ZINC000028778760 1118214246 /nfs/dbraw/zinc/21/42/46/1118214246.db2.gz OZKZJLJZNFGUGY-UHFFFAOYSA-N 0 1 292.408 3.516 20 0 CHADMN Cc1cc(CN2CCC[C@H](c3nc4ccccc4o3)C2)no1 ZINC000029826288 1118217015 /nfs/dbraw/zinc/21/70/15/1118217015.db2.gz JOBYDMIDSVJNKS-ZDUSSCGKSA-N 0 1 297.358 3.504 20 0 CHADMN c1ccc(CN2Cc3ccccc3C3(CCC3)C2)nc1 ZINC000375620082 1118218451 /nfs/dbraw/zinc/21/84/51/1118218451.db2.gz ZXHCILRGTVITNK-UHFFFAOYSA-N 0 1 264.372 3.519 20 0 CHADMN COc1c(C)cccc1CN[C@H](C)c1ccc(F)cc1 ZINC000655809620 1118219068 /nfs/dbraw/zinc/21/90/68/1118219068.db2.gz BPBSCPVKRYNIOV-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN COc1c(C)cccc1CN[C@H]1CCCc2c(O)cccc21 ZINC000655810333 1118220448 /nfs/dbraw/zinc/22/04/48/1118220448.db2.gz CPSOFXBJZMNJQR-KRWDZBQOSA-N 0 1 297.398 3.876 20 0 CHADMN CCCC[C@@H](CC)CC(=O)NCc1ccc2nc[nH]c2c1 ZINC000615788852 1128763520 /nfs/dbraw/zinc/76/35/20/1128763520.db2.gz DVQAPZWHICTJSP-CYBMUJFWSA-N 0 1 287.407 3.786 20 0 CHADMN CC(C)Oc1ccccc1NC(=O)c1cccc2cn[nH]c21 ZINC000032286904 1118224714 /nfs/dbraw/zinc/22/47/14/1118224714.db2.gz NUUIVOOCBQIXDR-UHFFFAOYSA-N 0 1 295.342 3.602 20 0 CHADMN CC[C@H](C)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000032466163 1118226002 /nfs/dbraw/zinc/22/60/02/1118226002.db2.gz GYTIMPYWUVEZGG-JTQLQIEISA-N 0 1 273.380 3.845 20 0 CHADMN C[C@@H](CC(=O)NCc1ccc2nc[nH]c2c1)CC(C)(C)C ZINC000615790773 1128763902 /nfs/dbraw/zinc/76/39/02/1128763902.db2.gz XVPVFBDAGNVHSF-LBPRGKRZSA-N 0 1 287.407 3.642 20 0 CHADMN Cc1cc(Nc2c(C)nc3ccc(F)cn32)c(C)o1 ZINC001210281299 1118230096 /nfs/dbraw/zinc/23/00/96/1118230096.db2.gz XFWNXVNPILVSBD-UHFFFAOYSA-N 0 1 259.284 3.735 20 0 CHADMN CC[C@H](C)N(C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000104687485 1118236576 /nfs/dbraw/zinc/23/65/76/1118236576.db2.gz FQVOFDYDYWRZPS-VIFPVBQESA-N 0 1 289.206 3.662 20 0 CHADMN COC[C@@H](CC(C)(C)C)NCc1ncc(C(C)C)s1 ZINC000655844118 1118237382 /nfs/dbraw/zinc/23/73/82/1118237382.db2.gz ZQOBSVITPPTSIA-GFCCVEGCSA-N 0 1 284.469 3.807 20 0 CHADMN CC(C)n1cc(CNC(C)(C)c2cccc(F)c2)cn1 ZINC000172342768 1118242152 /nfs/dbraw/zinc/24/21/52/1118242152.db2.gz KIATYTAWQNNLKM-UHFFFAOYSA-N 0 1 275.371 3.628 20 0 CHADMN O=C([O-])[C@@]1(c2ccccc2)CC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000579961218 1118245698 /nfs/dbraw/zinc/24/56/98/1118245698.db2.gz CJUBRYSCHIRBHO-HKUYNNGSSA-N 0 1 299.414 3.604 20 0 CHADMN C=Cc1ccc(CNc2ncnc3[nH]c(C(C)C)nc32)cc1 ZINC001168576425 1118250202 /nfs/dbraw/zinc/25/02/02/1118250202.db2.gz XFIJPVXAMZLLNE-UHFFFAOYSA-N 0 1 293.374 3.731 20 0 CHADMN CC(C)c1cc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)n[nH]1 ZINC000044970611 1118252817 /nfs/dbraw/zinc/25/28/17/1118252817.db2.gz PPNWLFGJVCFAAT-LLVKDONJSA-N 0 1 289.354 3.505 20 0 CHADMN Fc1ccc([C@@H](NC[C@H]2CCCC23CC3)c2ncc[nH]2)cc1 ZINC000624314458 1118254685 /nfs/dbraw/zinc/25/46/85/1118254685.db2.gz IVBSIXWLSQIHOW-GDBMZVCRSA-N 0 1 299.393 3.808 20 0 CHADMN CCCC[C@H](CC)CCN1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000472630760 1118263231 /nfs/dbraw/zinc/26/32/31/1118263231.db2.gz OPAYGPIRNZKEFW-GVDBMIGSSA-N 0 1 295.467 3.663 20 0 CHADMN C[C@H](c1ccco1)N(C(=O)c1cccc2n[nH]cc21)C1CC1 ZINC000056184943 1118270884 /nfs/dbraw/zinc/27/08/84/1118270884.db2.gz VTUFBKZOPMXOSV-LLVKDONJSA-N 0 1 295.342 3.522 20 0 CHADMN Cc1noc([C@@H](C)N2CCC[C@](C)(c3ccccc3)CC2)n1 ZINC000671703862 1118273096 /nfs/dbraw/zinc/27/30/96/1118273096.db2.gz BQABVCDYYBKXJD-KDOFPFPSSA-N 0 1 299.418 3.883 20 0 CHADMN c1cc2cc(CNc3cnn(-c4ccncc4)c3)ccc2o1 ZINC000671708148 1118280162 /nfs/dbraw/zinc/28/01/62/1118280162.db2.gz FZTFEMUXDSBIFP-UHFFFAOYSA-N 0 1 290.326 3.626 20 0 CHADMN COc1ccnc(NCc2cc3c(ccc(C)c3C)[nH]2)c1 ZINC000471465663 1118282416 /nfs/dbraw/zinc/28/24/16/1118282416.db2.gz RHNNOXUGCCHAEL-UHFFFAOYSA-N 0 1 281.359 3.800 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1ccc2occc2c1 ZINC000671710152 1118282456 /nfs/dbraw/zinc/28/24/56/1118282456.db2.gz XFCRQRWTIFYQAU-SNVBAGLBSA-N 0 1 270.332 3.888 20 0 CHADMN CC(C)(C)C[C@@H]1CCCN1Cc1nc(C(C)(C)C)no1 ZINC000057863257 1118285102 /nfs/dbraw/zinc/28/51/02/1118285102.db2.gz YXJGOODFYUEPRZ-LBPRGKRZSA-N 0 1 279.428 3.768 20 0 CHADMN CCCCSc1nc(-c2ccccc2F)n[nH]1 ZINC000057932571 1118285623 /nfs/dbraw/zinc/28/56/23/1118285623.db2.gz HIAIXGYTRTYPDG-UHFFFAOYSA-N 0 1 251.330 3.503 20 0 CHADMN Cc1cc(CN[C@H]2C[C@H](C(C)C)c3ccccc32)ncn1 ZINC000683692494 1118288186 /nfs/dbraw/zinc/28/81/86/1118288186.db2.gz SZIBNTIJOLBFSE-MSOLQXFVSA-N 0 1 281.403 3.759 20 0 CHADMN Cc1cc(CN[C@@H]2C[C@H](C(C)C)c3ccccc32)ncn1 ZINC000683692495 1118288606 /nfs/dbraw/zinc/28/86/06/1118288606.db2.gz SZIBNTIJOLBFSE-QZTJIDSGSA-N 0 1 281.403 3.759 20 0 CHADMN CCOc1cc(C)ccc1NC(=O)c1cccc2[nH]ncc21 ZINC000058565960 1118289923 /nfs/dbraw/zinc/28/99/23/1118289923.db2.gz COZLSYSVUUNTMS-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN CCOC(=O)[C@@H]1CCCN([C@H](C)c2ccccc2Cl)C1 ZINC000058875271 1118293507 /nfs/dbraw/zinc/29/35/07/1118293507.db2.gz MKRBHLOIIRUZHP-CHWSQXEVSA-N 0 1 295.810 3.676 20 0 CHADMN COc1ccccc1CN(C)Cc1ccc(Cl)cc1 ZINC000058876216 1118293645 /nfs/dbraw/zinc/29/36/45/1118293645.db2.gz KEBHPOMIAZSWIQ-UHFFFAOYSA-N 0 1 275.779 3.981 20 0 CHADMN C[C@H](Sc1nc(N)cc(N)n1)c1ccc2ccccc2c1 ZINC000059833334 1118295873 /nfs/dbraw/zinc/29/58/73/1118295873.db2.gz AQNFUKPQFLZMQT-JTQLQIEISA-N 0 1 296.399 3.648 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C)c(Cl)c2)cn1 ZINC000683708908 1118301532 /nfs/dbraw/zinc/30/15/32/1118301532.db2.gz ZMMYKXOSJSPMJP-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN CCc1nocc1CN(C)CC(C)(C)Oc1ccccc1 ZINC000639209229 1118302251 /nfs/dbraw/zinc/30/22/51/1118302251.db2.gz PUFBMYRTFFWZEG-UHFFFAOYSA-N 0 1 288.391 3.526 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(C)c(C)o2)cc1F ZINC000282229772 1118302273 /nfs/dbraw/zinc/30/22/73/1118302273.db2.gz PIUXUFXDOSSNMT-LLVKDONJSA-N 0 1 277.339 3.895 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(C)c(Cl)c2)nc1 ZINC000683715490 1118305809 /nfs/dbraw/zinc/30/58/09/1118305809.db2.gz RXVWMVGAUJMDEL-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc([C@@H](C)O)cc2)oc1C ZINC000282244712 1118306460 /nfs/dbraw/zinc/30/64/60/1118306460.db2.gz QDKQBDRTCSEMPN-QWHCGFSZSA-N 0 1 273.376 3.801 20 0 CHADMN c1ccc2c(c1)COC[C@H]2NCc1ccc(C2CC2)cc1 ZINC000340499805 1118307498 /nfs/dbraw/zinc/30/74/98/1118307498.db2.gz OCSNJKZWLOMGHG-LJQANCHMSA-N 0 1 279.383 3.925 20 0 CHADMN CN(Cc1nc(-c2ccsc2)no1)C1CCCCC1 ZINC000061757100 1118307616 /nfs/dbraw/zinc/30/76/16/1118307616.db2.gz OGMMYDNBCPEZFS-UHFFFAOYSA-N 0 1 277.393 3.563 20 0 CHADMN Cc1c2ccccc2n(C)c1CN[C@H](C)c1ccncc1F ZINC000340503098 1118308958 /nfs/dbraw/zinc/30/89/58/1118308958.db2.gz YTQWECOLKOGMQX-CYBMUJFWSA-N 0 1 297.377 3.872 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H]1CCCc2ccc(O)cc21 ZINC000340501332 1118309074 /nfs/dbraw/zinc/30/90/74/1118309074.db2.gz XHSIHPFQLLKIDG-YVEFUNNKSA-N 0 1 298.386 3.524 20 0 CHADMN CN(Cc1ccc(Cl)cc1)Cc1ccc2c(c1)OCO2 ZINC000061781197 1118309721 /nfs/dbraw/zinc/30/97/21/1118309721.db2.gz YRJYJCNPSPJTEP-UHFFFAOYSA-N 0 1 289.762 3.701 20 0 CHADMN CCO[C@@H](CN[C@@H](C)c1ccncc1F)c1ccccc1 ZINC000340509932 1118313014 /nfs/dbraw/zinc/31/30/14/1118313014.db2.gz SWUCDEMIEFUBMA-GUYCJALGSA-N 0 1 288.366 3.649 20 0 CHADMN O=C(CCC1CC1)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000340511931 1118314172 /nfs/dbraw/zinc/31/41/72/1118314172.db2.gz OZPUALRSIHYVTR-UHFFFAOYSA-N 0 1 295.342 3.952 20 0 CHADMN Cc1nc(CN2CCC3(CCC3)CC2)sc1C ZINC000671729600 1118314466 /nfs/dbraw/zinc/31/44/66/1118314466.db2.gz MSYTURXKKTXVJO-UHFFFAOYSA-N 0 1 250.411 3.526 20 0 CHADMN Cc1cc(C)cc(NC(=O)CN2CCC3(CCC3)CC2)c1 ZINC000671728459 1118315059 /nfs/dbraw/zinc/31/50/59/1118315059.db2.gz RKIGALUWANRRRJ-UHFFFAOYSA-N 0 1 286.419 3.508 20 0 CHADMN CC[C@H](N[C@@H]1CCC[C@@H]1F)c1ccccc1OC ZINC000340523044 1118315570 /nfs/dbraw/zinc/31/55/70/1118315570.db2.gz MPJUGQVSNOFTTN-MELADBBJSA-N 0 1 251.345 3.627 20 0 CHADMN c1cn(-c2ccccc2)c(CN2CCC3(CCC3)CC2)n1 ZINC000671729243 1118315753 /nfs/dbraw/zinc/31/57/53/1118315753.db2.gz OEXMSUNBIWCICX-UHFFFAOYSA-N 0 1 281.403 3.638 20 0 CHADMN CC[C@H](N[C@H]1CCC[C@H]1F)c1ccc(F)cc1F ZINC000340524767 1118317528 /nfs/dbraw/zinc/31/75/28/1118317528.db2.gz AXMJDIJCRRDETB-XBFCOCLRSA-N 0 1 257.299 3.896 20 0 CHADMN C[C@@H](NCc1nc2c(s1)CCCC2)c1ccccc1 ZINC000049866473 1118318200 /nfs/dbraw/zinc/31/82/00/1118318200.db2.gz IPFKKYWWBXESJF-GFCCVEGCSA-N 0 1 272.417 3.873 20 0 CHADMN CC(C)(C)c1n[nH]c(S[C@@H]2CCc3ccccc32)n1 ZINC000683738359 1118323735 /nfs/dbraw/zinc/32/37/35/1118323735.db2.gz XQODXMHBTCTMBX-GFCCVEGCSA-N 0 1 273.405 3.882 20 0 CHADMN CCc1ccc([C@@H](CO)N[C@@H](C)c2ccccc2F)cc1 ZINC000090844382 1118326434 /nfs/dbraw/zinc/32/64/34/1118326434.db2.gz BNXJPXIVMCYFTD-SCLBCKFNSA-N 0 1 287.378 3.772 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccco1)c1ccc2[nH]c(=O)oc2c1 ZINC000671739598 1118327424 /nfs/dbraw/zinc/32/74/24/1118327424.db2.gz KDHCAWJIHLDSCY-ZJUUUORDSA-N 0 1 272.304 3.538 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000149477459 1118330579 /nfs/dbraw/zinc/33/05/79/1118330579.db2.gz MRSUPEIWHGHMJQ-GFCCVEGCSA-N 0 1 253.336 3.833 20 0 CHADMN COc1ccc(-c2cnc(CN(C(C)C)C3CC3)o2)cc1 ZINC000065281165 1118332882 /nfs/dbraw/zinc/33/28/82/1118332882.db2.gz KSXHJQASEMTJGP-UHFFFAOYSA-N 0 1 286.375 3.723 20 0 CHADMN COc1ccc(-c2nc(CN3CCC(C)CC3)co2)cc1 ZINC000042651981 1118336974 /nfs/dbraw/zinc/33/69/74/1118336974.db2.gz HHZBAXNXYPXWMU-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN Cc1ccc(-c2nc(CN(C)CC(C)C)cs2)o1 ZINC000065961454 1118340221 /nfs/dbraw/zinc/34/02/21/1118340221.db2.gz YICUENGPKOWNIC-UHFFFAOYSA-N 0 1 264.394 3.799 20 0 CHADMN c1ccc([C@@H](N[C@H]2C=CCCC2)c2ccccn2)cc1 ZINC000066472985 1118345531 /nfs/dbraw/zinc/34/55/31/1118345531.db2.gz OIFWVMUJHJNXPG-FUHWJXTLSA-N 0 1 264.372 3.869 20 0 CHADMN C[C@@H](CN(C)[C@@H](C)c1nc(C2CC2)no1)c1ccccc1 ZINC000066854652 1118348087 /nfs/dbraw/zinc/34/80/87/1118348087.db2.gz BZCSAWACKGUBML-STQMWFEESA-N 0 1 285.391 3.744 20 0 CHADMN Cc1nc([C@H](C)S[C@H](C)c2ccc(F)cc2)n[nH]1 ZINC000412992512 1118349626 /nfs/dbraw/zinc/34/96/26/1118349626.db2.gz MQYXAOSOLWPVOW-BDAKNGLRSA-N 0 1 265.357 3.808 20 0 CHADMN Cc1ccc(-n2[nH]c(C(C)(C)C)cc2=O)cc1Cl ZINC000116603203 1118357818 /nfs/dbraw/zinc/35/78/18/1118357818.db2.gz CCFBDQSRTKSYFX-UHFFFAOYSA-N 0 1 264.756 3.837 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000129437835 1118363227 /nfs/dbraw/zinc/36/32/27/1118363227.db2.gz HPNQNVRSAXBPQW-CHWSQXEVSA-N 0 1 289.423 3.861 20 0 CHADMN CN(Cc1nc(-c2ccc(F)cc2)no1)C1CCCCC1 ZINC000072790608 1118375884 /nfs/dbraw/zinc/37/58/84/1118375884.db2.gz CRUVKVUNNWBDQP-UHFFFAOYSA-N 0 1 289.354 3.640 20 0 CHADMN C[C@H](Sc1nc(C2CC2)n[nH]1)c1cc(F)ccc1F ZINC000340598176 1118376092 /nfs/dbraw/zinc/37/60/92/1118376092.db2.gz UWVHDAJMHRBUFE-ZETCQYMHSA-N 0 1 281.331 3.814 20 0 CHADMN C[C@H](Sc1n[nH]c(C2CC2)n1)c1cc(F)ccc1F ZINC000340598176 1118376097 /nfs/dbraw/zinc/37/60/97/1118376097.db2.gz UWVHDAJMHRBUFE-ZETCQYMHSA-N 0 1 281.331 3.814 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N2C[C@H](C)[C@H](C)C2)c(Cl)c1 ZINC000072873368 1118376772 /nfs/dbraw/zinc/37/67/72/1118376772.db2.gz WNNUGAGXBKYPAF-FRRDWIJNSA-N 0 1 294.826 3.563 20 0 CHADMN C[C@H](NC/C=C\c1ccccc1)c1nc2ccccc2n1C ZINC000255120072 1118382494 /nfs/dbraw/zinc/38/24/94/1118382494.db2.gz UYQAHCCJPRCJNV-QIENPNARSA-N 0 1 291.398 3.937 20 0 CHADMN CCCCN(C)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000073601455 1118383586 /nfs/dbraw/zinc/38/35/86/1118383586.db2.gz NKOFYVPSLSFSOH-SNVBAGLBSA-N 0 1 286.778 3.538 20 0 CHADMN O=C(N[C@H]1CC=CCC1)c1ccc(Nc2ccncc2)cc1 ZINC000073826937 1118384929 /nfs/dbraw/zinc/38/49/29/1118384929.db2.gz HYIBTZCQOLGPJD-HNNXBMFYSA-N 0 1 293.370 3.664 20 0 CHADMN CC=C(C)Nc1c(Cl)nccc1Br ZINC001210793320 1118390042 /nfs/dbraw/zinc/39/00/42/1118390042.db2.gz NJOSDPWOLWCVMB-ZZXKWVIFSA-N 0 1 261.550 3.833 20 0 CHADMN C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1C(=O)[O-] ZINC000565545417 1118396984 /nfs/dbraw/zinc/39/69/84/1118396984.db2.gz SVJIVLJIULPYFZ-ZDUSSCGKSA-N 0 1 281.355 3.504 20 0 CHADMN CCOc1c(Cl)cccc1C[N@H+]1CCC[C@H](OC)CC1 ZINC000683837420 1118402771 /nfs/dbraw/zinc/40/27/71/1118402771.db2.gz GGBPYYPNKCTKPM-AWEZNQCLSA-N 0 1 297.826 3.740 20 0 CHADMN C/C=C(/C=C/C(=O)Nc1ccc(CN(C)C)c(F)c1)CC ZINC000765782495 1118404618 /nfs/dbraw/zinc/40/46/18/1118404618.db2.gz YISIIBGODJVPEM-XQCUBCESSA-N 0 1 290.382 3.738 20 0 CHADMN c1sc(-c2ccccc2)nc1CNC[C@@H]1CCC=CO1 ZINC000189562822 1128776241 /nfs/dbraw/zinc/77/62/41/1128776241.db2.gz VTYKPEHCDGHGTF-HNNXBMFYSA-N 0 1 286.400 3.592 20 0 CHADMN CCOc1ccc([C@H](C)N[C@@H](CO)c2ccsc2)cc1 ZINC000349313664 1118421622 /nfs/dbraw/zinc/42/16/22/1118421622.db2.gz PFEHYVYEBPSRAF-LRDDRELGSA-N 0 1 291.416 3.531 20 0 CHADMN Cn1cnc(C[N@H+]2CCCCC[C@H]2/C=C\c2ccccc2)c1 ZINC000683898639 1118432271 /nfs/dbraw/zinc/43/22/71/1118432271.db2.gz QQDNRIYOCKQJNL-JZHDPFOFSA-N 0 1 295.430 3.878 20 0 CHADMN Cn1cnc(CN2CCCCC[C@H]2/C=C\c2ccccc2)c1 ZINC000683898639 1118432272 /nfs/dbraw/zinc/43/22/72/1118432272.db2.gz QQDNRIYOCKQJNL-JZHDPFOFSA-N 0 1 295.430 3.878 20 0 CHADMN COc1cccc([C@@H]2CCCN2Cc2oc(C)nc2C)c1 ZINC000683897153 1118432534 /nfs/dbraw/zinc/43/25/34/1118432534.db2.gz PRFWMFUWURNVKN-INIZCTEOSA-N 0 1 286.375 3.637 20 0 CHADMN COc1ccc([C@@H]2CCCN2Cc2oc(C)nc2C)cc1 ZINC000683897226 1118432764 /nfs/dbraw/zinc/43/27/64/1118432764.db2.gz UBMYVPZZBKCFDB-INIZCTEOSA-N 0 1 286.375 3.637 20 0 CHADMN Cc1nc(C)c(CN(C)CCCOc2ccccc2C)o1 ZINC000683898231 1118434508 /nfs/dbraw/zinc/43/45/08/1118434508.db2.gz IFXJKAUXYZFHMS-UHFFFAOYSA-N 0 1 288.391 3.501 20 0 CHADMN COc1ccc(C[N@@H+](C)Cc2cc(C)c(C)o2)cc1 ZINC001204535950 1118444001 /nfs/dbraw/zinc/44/40/01/1118444001.db2.gz BAOSEVUOHATTNU-UHFFFAOYSA-N 0 1 259.349 3.537 20 0 CHADMN COc1ccc(CN(C)Cc2cc(C)c(C)o2)cc1 ZINC001204535950 1118444002 /nfs/dbraw/zinc/44/40/02/1118444002.db2.gz BAOSEVUOHATTNU-UHFFFAOYSA-N 0 1 259.349 3.537 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000086784577 1118444485 /nfs/dbraw/zinc/44/44/85/1118444485.db2.gz RWBFPIWQDHLOSP-CRAIPNDOSA-N 0 1 289.419 3.757 20 0 CHADMN COc1ccc(CNCc2ccc(C)cc2OC)c(C)c1 ZINC000580396230 1118444498 /nfs/dbraw/zinc/44/44/98/1118444498.db2.gz XAOBUGDRTQZYEF-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])[C@H](C)c1ccc2ccccc2c1 ZINC000086776131 1118444552 /nfs/dbraw/zinc/44/45/52/1118444552.db2.gz XKTAEQXFZSHNMU-CYBMUJFWSA-N 0 1 271.360 3.697 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000683926889 1118446178 /nfs/dbraw/zinc/44/61/78/1118446178.db2.gz JCCHUDNEGAISJJ-INIZCTEOSA-N 0 1 293.370 3.755 20 0 CHADMN Fc1ccc([C@@H](NCc2cnccn2)C2CCCC2)cc1 ZINC000580405002 1118447003 /nfs/dbraw/zinc/44/70/03/1118447003.db2.gz QLQCHJDWGLAYKO-KRWDZBQOSA-N 0 1 285.366 3.637 20 0 CHADMN C[C@@H](NCc1cocn1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683941377 1118458092 /nfs/dbraw/zinc/45/80/92/1118458092.db2.gz LLASCZJYJYVNPV-DVVUODLYSA-N 0 1 282.796 3.671 20 0 CHADMN CC[C@H](C)Oc1cc(C)ccc1CNCc1cccn1C ZINC000153324306 1118469792 /nfs/dbraw/zinc/46/97/92/1118469792.db2.gz CRTXBSILQLZLKT-HNNXBMFYSA-N 0 1 286.419 3.801 20 0 CHADMN c1coc([C@@H](NC[C@@H]2CCC=CO2)c2ccccc2)c1 ZINC000050268630 1118470408 /nfs/dbraw/zinc/47/04/08/1118470408.db2.gz BHCGVNZJKZRECL-RDJZCZTQSA-N 0 1 269.344 3.651 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](CO)c2ccsc2)cc1 ZINC000471589025 1118473495 /nfs/dbraw/zinc/47/34/95/1118473495.db2.gz ZFQZLWSNQBZPQR-WBMJQRKESA-N 0 1 275.417 3.695 20 0 CHADMN CC[C@H](C)c1cccc(NC(=O)N(C)Cc2cnc[nH]2)c1 ZINC000626657926 1128779913 /nfs/dbraw/zinc/77/99/13/1128779913.db2.gz CLHPDAAPVNSUPN-LBPRGKRZSA-N 0 1 286.379 3.587 20 0 CHADMN Cc1ccc([C@H](C)N(C)CC(=O)Nc2ccccc2C)cc1 ZINC000047960317 1118482437 /nfs/dbraw/zinc/48/24/37/1118482437.db2.gz XFWJRKIFPZSNSD-INIZCTEOSA-N 0 1 296.414 3.935 20 0 CHADMN Cc1ccc([C@@H](C)N(C)CC(=O)Nc2ccccc2C)cc1 ZINC000047960316 1118482639 /nfs/dbraw/zinc/48/26/39/1118482639.db2.gz XFWJRKIFPZSNSD-MRXNPFEDSA-N 0 1 296.414 3.935 20 0 CHADMN CCCCC1CCC(c2nc([C@@H]3CCCN3)no2)CC1 ZINC000071396514 1118482855 /nfs/dbraw/zinc/48/28/55/1118482855.db2.gz HIVKBQYBOZDXNA-RUXDESIVSA-N 0 1 277.412 3.958 20 0 CHADMN FC1(F)CC12CN(Cc1cc3ccccc3s1)C2 ZINC000656265885 1118486622 /nfs/dbraw/zinc/48/66/22/1118486622.db2.gz MMXMKUXGROEPTB-UHFFFAOYSA-N 0 1 265.328 3.742 20 0 CHADMN CC(C)(C)SCCNCc1c(F)cccc1F ZINC000236597442 1118488206 /nfs/dbraw/zinc/48/82/06/1118488206.db2.gz IJFDKKWLTPTSGE-UHFFFAOYSA-N 0 1 259.365 3.586 20 0 CHADMN c1c2ccccc2[nH]c1CN1CCC[C@H]2CCC[C@@H]21 ZINC000684020048 1118488896 /nfs/dbraw/zinc/48/88/96/1118488896.db2.gz FYFHSBLTMTWOKC-DYVFJYSZSA-N 0 1 254.377 3.932 20 0 CHADMN C[C@@H]1C[C@@H](C)N1Cc1cnc(-c2ccsc2)s1 ZINC000580696731 1118493514 /nfs/dbraw/zinc/49/35/14/1118493514.db2.gz RJHRUPADFCJCSY-NXEZZACHSA-N 0 1 264.419 3.854 20 0 CHADMN COc1cnccc1-n1c2ccccc2c2cccc(N)c21 ZINC001211265268 1118493517 /nfs/dbraw/zinc/49/35/17/1118493517.db2.gz SGVVODDVNNTXAR-UHFFFAOYSA-N 0 1 289.338 3.770 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@H]3CCCC3(C)C)[nH]c2c1 ZINC000580732618 1118497443 /nfs/dbraw/zinc/49/74/43/1118497443.db2.gz YXFWDKIDFFVTAW-LLVKDONJSA-N 0 1 271.364 3.636 20 0 CHADMN Clc1ccc(CNCc2ccccn2)c2ncccc12 ZINC000130001765 1118500523 /nfs/dbraw/zinc/50/05/23/1118500523.db2.gz BFBBDTXIEKKJSV-UHFFFAOYSA-N 0 1 283.762 3.573 20 0 CHADMN CC(C)OCCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000048043237 1118506637 /nfs/dbraw/zinc/50/66/37/1118506637.db2.gz PLKHTWPAFHTOSZ-XJKSGUPXSA-N 0 1 277.408 3.792 20 0 CHADMN CCN(Cc1c(C)noc1C)Cc1ccccc1C ZINC000048059068 1118506914 /nfs/dbraw/zinc/50/69/14/1118506914.db2.gz NYJFUXSQAMABOB-UHFFFAOYSA-N 0 1 258.365 3.622 20 0 CHADMN COc1ccc2nc(SCCOCCC(C)C)[nH]c2c1 ZINC000059738251 1118509558 /nfs/dbraw/zinc/50/95/58/1118509558.db2.gz WEKMVPSTQONISA-UHFFFAOYSA-N 0 1 294.420 3.726 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CC2=CCCC2)[C@@H](C)CO1 ZINC001167437072 1118514876 /nfs/dbraw/zinc/51/48/76/1118514876.db2.gz BWVCZCXHOAXROL-YJBOKZPZSA-N 0 1 271.404 3.867 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CC2=CCCC2)[C@H](C)CO1 ZINC001167437071 1118515004 /nfs/dbraw/zinc/51/50/04/1118515004.db2.gz BWVCZCXHOAXROL-QAPCUYQASA-N 0 1 271.404 3.867 20 0 CHADMN Cc1ccccc1[C@H]1CN(CC2=CCCC2)[C@H](C)CO1 ZINC001167437069 1118515118 /nfs/dbraw/zinc/51/51/18/1118515118.db2.gz BWVCZCXHOAXROL-CRAIPNDOSA-N 0 1 271.404 3.867 20 0 CHADMN Cc1ccccc1[C@H]1C[N@@H+](CCC2CCC2)[C@@H](C)CO1 ZINC001167437474 1118516329 /nfs/dbraw/zinc/51/63/29/1118516329.db2.gz GXRNOXCDBOOMGI-MAUKXSAKSA-N 0 1 273.420 3.947 20 0 CHADMN c1cc2c(o1)CCCN(Cc1cnc(-c3ccccc3)[nH]1)C2 ZINC000580918889 1118522083 /nfs/dbraw/zinc/52/20/83/1118522083.db2.gz JNITVTPEVAAGTI-UHFFFAOYSA-N 0 1 293.370 3.618 20 0 CHADMN CCC[C@@H](C)CCCN1CCOC[C@@H]1CC(F)F ZINC000625426981 1118523132 /nfs/dbraw/zinc/52/31/32/1118523132.db2.gz GRDAIVSYDVLBRB-OLZOCXBDSA-N 0 1 263.372 3.559 20 0 CHADMN CC[C@@H](NCc1cccc(F)n1)c1ccsc1 ZINC000834689913 1118527675 /nfs/dbraw/zinc/52/76/75/1118527675.db2.gz UDUGQHPEFNPATN-GFCCVEGCSA-N 0 1 250.342 3.523 20 0 CHADMN C[C@@H](N[C@H](CO)c1ccccc1)c1ccc(Cl)s1 ZINC000062999830 1118530161 /nfs/dbraw/zinc/53/01/61/1118530161.db2.gz IDGLWIPLETZDCQ-ZYHUDNBSSA-N 0 1 281.808 3.786 20 0 CHADMN CCN(C(=O)c1cc(C2CCCCC2)[nH]n1)C1CCCC1 ZINC000154680820 1118530821 /nfs/dbraw/zinc/53/08/21/1118530821.db2.gz DIQYBRUAJKCNNX-UHFFFAOYSA-N 0 1 289.423 3.862 20 0 CHADMN COc1cccc2cc([C@H](C)NC/C=C\Cl)oc21 ZINC000754595278 1118533877 /nfs/dbraw/zinc/53/38/77/1118533877.db2.gz AZWMBINRCOSWEG-VAWSOJLPSA-N 0 1 265.740 3.845 20 0 CHADMN c1coc(CN(Cc2ccccc2)C[C@@H]2CCCCO2)c1 ZINC000042367012 1118540425 /nfs/dbraw/zinc/54/04/25/1118540425.db2.gz UFILGTPRDVMNCP-KRWDZBQOSA-N 0 1 285.387 3.851 20 0 CHADMN C[C@H](O)C[C@H]1CCCCN1Cc1cscc1Cl ZINC000684148478 1118541397 /nfs/dbraw/zinc/54/13/97/1118541397.db2.gz NBMIDEGDLHLEBX-CMPLNLGQSA-N 0 1 273.829 3.527 20 0 CHADMN c1nc(C2CC2)ncc1CN1CCC(C2CCCC2)CC1 ZINC000656445253 1118551503 /nfs/dbraw/zinc/55/15/03/1118551503.db2.gz HUFVNQLLTHMWEF-UHFFFAOYSA-N 0 1 285.435 3.756 20 0 CHADMN CCC[C@H]1CCCC[C@@H]1NCc1nnc(C(C)C)o1 ZINC000548159588 1118566365 /nfs/dbraw/zinc/56/63/65/1118566365.db2.gz ZLHKJXIKDKWMAE-STQMWFEESA-N 0 1 265.401 3.642 20 0 CHADMN CC(C)Sc1ccccc1-c1nc([C@@H]2CCCN2)no1 ZINC000647154745 1118567261 /nfs/dbraw/zinc/56/72/61/1118567261.db2.gz JAEDWDOMWQRQKW-LBPRGKRZSA-N 0 1 289.404 3.662 20 0 CHADMN C[C@@H](NCc1ccc(O)cc1)c1cc(F)ccc1F ZINC000035256196 1118574216 /nfs/dbraw/zinc/57/42/16/1118574216.db2.gz MQUSAIOLZSQNEO-SNVBAGLBSA-N 0 1 263.287 3.521 20 0 CHADMN CO[C@H]1CCC[C@@H]1CNc1ccnc2cc(F)ccc21 ZINC000340996631 1118575080 /nfs/dbraw/zinc/57/50/80/1118575080.db2.gz PJILPTWHAUIZSR-BZNIZROVSA-N 0 1 274.339 3.601 20 0 CHADMN C[C@H]1CN(Cc2ccc(F)c(Br)c2)C[C@H]1C ZINC000091440014 1118580122 /nfs/dbraw/zinc/58/01/22/1118580122.db2.gz JQWSHVNPRUMEQQ-AOOOYVTPSA-N 0 1 286.188 3.676 20 0 CHADMN COc1cc(Nc2cnc(OC(C)C)cc2C)ncc1C ZINC001215771401 1118581493 /nfs/dbraw/zinc/58/14/93/1118581493.db2.gz UEHHZKZTMNICLF-UHFFFAOYSA-N 0 1 287.363 3.633 20 0 CHADMN CCCC1CCC(N(C)Cn2cccnc2=S)CC1 ZINC000189905883 1128787588 /nfs/dbraw/zinc/78/75/88/1128787588.db2.gz GSZVNMHGZPYMKQ-UHFFFAOYSA-N 0 1 279.453 3.861 20 0 CHADMN NC1(c2noc([C@H]3CC[C@H](C4CCC4)CC3)n2)CCCC1 ZINC000656560951 1118595117 /nfs/dbraw/zinc/59/51/17/1118595117.db2.gz MYMIXDXBCFJQIL-HDJSIYSDSA-N 0 1 289.423 3.872 20 0 CHADMN NC1(c2noc(C3CC4(C3)CCCCC4)n2)CCCC1 ZINC000656561126 1118595291 /nfs/dbraw/zinc/59/52/91/1118595291.db2.gz QUBCIENUNAJCBV-UHFFFAOYSA-N 0 1 275.396 3.626 20 0 CHADMN CCc1ccc(C)nc1NCc1ncccc1C(F)(F)F ZINC000668478356 1118597831 /nfs/dbraw/zinc/59/78/31/1118597831.db2.gz NKAJVBZWGNZXGT-UHFFFAOYSA-N 0 1 295.308 3.978 20 0 CHADMN CCc1ccc([C@@H](NCc2ncc(C)n2C)C(C)C)cc1 ZINC000341079074 1118599958 /nfs/dbraw/zinc/59/99/58/1118599958.db2.gz OAFOGGTVKPUEMZ-SFHVURJKSA-N 0 1 285.435 3.778 20 0 CHADMN COc1cc(F)c(F)cc1CN1CCC[C@H]2CCC[C@H]21 ZINC001143394510 1118606514 /nfs/dbraw/zinc/60/65/14/1118606514.db2.gz FLIBAXWONXVLHU-IAQYHMDHSA-N 0 1 281.346 3.738 20 0 CHADMN COc1cc(F)c(F)cc1CN1CCC[C@H](C)[C@H]1C ZINC001143394644 1118606666 /nfs/dbraw/zinc/60/66/66/1118606666.db2.gz KLIOMMFAHFDEJL-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN C[N@H+](Cc1ccon1)C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001207189797 1118612363 /nfs/dbraw/zinc/61/23/63/1118612363.db2.gz FJMAUNGRQFEPOH-DOMZBBRYSA-N 0 1 276.767 3.564 20 0 CHADMN CN(Cc1ccon1)C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001207189797 1118612364 /nfs/dbraw/zinc/61/23/64/1118612364.db2.gz FJMAUNGRQFEPOH-DOMZBBRYSA-N 0 1 276.767 3.564 20 0 CHADMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2F)C1(C)C ZINC001167468312 1118612584 /nfs/dbraw/zinc/61/25/84/1118612584.db2.gz QOIYWGYEKMVBEI-GJZGRUSLSA-N 0 1 283.362 3.600 20 0 CHADMN CCO[C@H]1C[C@H](N(C)Cc2ccc(F)cc2F)C1(C)C ZINC001167468312 1118612586 /nfs/dbraw/zinc/61/25/86/1118612586.db2.gz QOIYWGYEKMVBEI-GJZGRUSLSA-N 0 1 283.362 3.600 20 0 CHADMN CO[C@@H](CNc1ccc2cnccc2c1)C1CCCC1 ZINC000656654963 1118622176 /nfs/dbraw/zinc/62/21/76/1118622176.db2.gz LGQRQBCMRDJHGH-KRWDZBQOSA-N 0 1 270.376 3.852 20 0 CHADMN CO[C@H](CNc1ccc2cnccc2c1)C1CCCC1 ZINC000656654964 1118622199 /nfs/dbraw/zinc/62/21/99/1118622199.db2.gz LGQRQBCMRDJHGH-QGZVFWFLSA-N 0 1 270.376 3.852 20 0 CHADMN COC[C@H](N[C@@H](C)c1c(F)cccc1Cl)C1CC1 ZINC000090180258 1118623156 /nfs/dbraw/zinc/62/31/56/1118623156.db2.gz CKAHXIJFVYIBLY-ZANVPECISA-N 0 1 271.763 3.555 20 0 CHADMN COc1cccc(OC)c1CN[C@@H](C)c1cccc(C)c1 ZINC000656678659 1118633515 /nfs/dbraw/zinc/63/35/15/1118633515.db2.gz BDCMFYBAHKKJDL-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN C[C@H](NCc1c(C2CC2)cnn1C)c1ccc(Cl)cc1 ZINC000656684868 1118635791 /nfs/dbraw/zinc/63/57/91/1118635791.db2.gz HUVAEZHHSPVLPF-NSHDSACASA-N 0 1 289.810 3.802 20 0 CHADMN Cn1ncc(C2CCC2)c1CN[C@H]1CCc2c1cccc2F ZINC000656687553 1118636263 /nfs/dbraw/zinc/63/62/63/1118636263.db2.gz CTFCBISEBRSLIP-KRWDZBQOSA-N 0 1 299.393 3.604 20 0 CHADMN CC(C)COc1ccccc1CN1CC2(CC(F)C2)C1 ZINC000656693930 1118638276 /nfs/dbraw/zinc/63/82/76/1118638276.db2.gz XYQMVPIIYPXOAO-UHFFFAOYSA-N 0 1 277.383 3.655 20 0 CHADMN C[C@H](CN1CC(C(F)F)C1)c1cccc(Cl)c1 ZINC000656690688 1118638822 /nfs/dbraw/zinc/63/88/22/1118638822.db2.gz NZTUEVFJYAJXRF-SECBINFHSA-N 0 1 259.727 3.640 20 0 CHADMN Cc1ncccc1CN[C@@H](C)c1ccc(F)cc1F ZINC000341261829 1118643683 /nfs/dbraw/zinc/64/36/83/1118643683.db2.gz DPZIGLVHPLIALC-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccc(C)c(F)c2)s1 ZINC000090400982 1118645973 /nfs/dbraw/zinc/64/59/73/1118645973.db2.gz XTZZYQPCWWQAIQ-JTQLQIEISA-N 0 1 264.369 3.750 20 0 CHADMN CC(C)Cn1ccnc1NCc1cc2ccncc2s1 ZINC000656774301 1118655093 /nfs/dbraw/zinc/65/50/93/1118655093.db2.gz FQOXSZKIGWZFHQ-UHFFFAOYSA-N 0 1 286.404 3.761 20 0 CHADMN CCc1ccc(C)nc1NCc1ccc(N2CCCC2)nc1 ZINC000656778159 1118656018 /nfs/dbraw/zinc/65/60/18/1118656018.db2.gz QDHRWTGKEFPAFG-UHFFFAOYSA-N 0 1 296.418 3.560 20 0 CHADMN Cc1ccc2nc(CNc3nccc(C)c3C3CC3)cn2c1 ZINC000656779602 1118656025 /nfs/dbraw/zinc/65/60/25/1118656025.db2.gz RPWVTNWKECVFMS-UHFFFAOYSA-N 0 1 292.386 3.836 20 0 CHADMN CCc1cnc(CNc2nc(C)ccc2CC)s1 ZINC000656779348 1118656066 /nfs/dbraw/zinc/65/60/66/1118656066.db2.gz VGSQKTSYNZCVPR-UHFFFAOYSA-N 0 1 261.394 3.583 20 0 CHADMN OCCC[C@H](NCc1ccc(Cl)o1)c1ccccc1 ZINC000077467113 1118664704 /nfs/dbraw/zinc/66/47/04/1118664704.db2.gz DCVNSFJFWGCIRK-AWEZNQCLSA-N 0 1 279.767 3.536 20 0 CHADMN CCN1C[C@H](C)N(C(=O)C[C@H](C)C2CCCCC2)C[C@@H]1C ZINC001266797217 1118668654 /nfs/dbraw/zinc/66/86/54/1118668654.db2.gz ISJWJPJZKCGEFT-JYJNAYRXSA-N 0 1 294.483 3.534 20 0 CHADMN CC(C)(C)[C@H]1CCCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000341360274 1118673887 /nfs/dbraw/zinc/67/38/87/1118673887.db2.gz FGTSRKFCSYIHDJ-AWEZNQCLSA-N 0 1 299.418 3.851 20 0 CHADMN CCc1cccc(F)c1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000684393976 1118677535 /nfs/dbraw/zinc/67/75/35/1118677535.db2.gz VIBQLBBAWKDSGN-GFCCVEGCSA-N 0 1 287.325 3.592 20 0 CHADMN CCOc1ccc(CNCc2cccc(O)c2)cc1Cl ZINC000341377692 1118680248 /nfs/dbraw/zinc/68/02/48/1118680248.db2.gz JSTUOUOMSWUQMV-UHFFFAOYSA-N 0 1 291.778 3.734 20 0 CHADMN CC1CCC(N(C)C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000025627076 1118684046 /nfs/dbraw/zinc/68/40/46/1118684046.db2.gz ULLMSSMBQQYRBQ-UHFFFAOYSA-N 0 1 297.402 3.727 20 0 CHADMN Cc1ccc(C(=O)Nc2nc(-c3cccs3)n[nH]2)c(C)c1 ZINC000077043981 1128793823 /nfs/dbraw/zinc/79/38/23/1128793823.db2.gz MUTQVNSOGWTVRN-UHFFFAOYSA-N 0 1 298.371 3.786 20 0 CHADMN COc1cccc(-c2csc(C[N@@H+](C)C(C)C)n2)c1 ZINC000891452378 1118685166 /nfs/dbraw/zinc/68/51/66/1118685166.db2.gz WYVLHSFNMBDLJS-UHFFFAOYSA-N 0 1 276.405 3.659 20 0 CHADMN COc1cccc(-c2csc(CN(C)C(C)C)n2)c1 ZINC000891452378 1118685169 /nfs/dbraw/zinc/68/51/69/1118685169.db2.gz WYVLHSFNMBDLJS-UHFFFAOYSA-N 0 1 276.405 3.659 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cc2ccccc2[nH]1 ZINC000684410878 1118686080 /nfs/dbraw/zinc/68/60/80/1118686080.db2.gz BWTCVKMEGUWDQI-GWCFXTLKSA-N 0 1 282.309 3.941 20 0 CHADMN CC(C)(N[C@H]1CC[C@@H](c2ccccc2)C1)C(F)F ZINC000684413486 1118687366 /nfs/dbraw/zinc/68/73/66/1118687366.db2.gz LPLMITQDBGJLHD-OLZOCXBDSA-N 0 1 253.336 3.956 20 0 CHADMN CC(C)(N[C@@H]1CC[C@H](c2ccccc2)C1)C(F)F ZINC000684413487 1118687301 /nfs/dbraw/zinc/68/73/01/1118687301.db2.gz LPLMITQDBGJLHD-QWHCGFSZSA-N 0 1 253.336 3.956 20 0 CHADMN CCOc1ccc(CN(C)Cc2cnn(C3CCC3)c2)cc1 ZINC000891472063 1118690758 /nfs/dbraw/zinc/69/07/58/1118690758.db2.gz XLNUTPLSYVRYCG-UHFFFAOYSA-N 0 1 299.418 3.639 20 0 CHADMN CN(Cc1cccs1)Cc1nccc2c1CCCC2 ZINC000891473534 1118691549 /nfs/dbraw/zinc/69/15/49/1118691549.db2.gz FSHQWBGFLDNXAY-UHFFFAOYSA-N 0 1 272.417 3.654 20 0 CHADMN FC(F)(F)[C@@H]1CCC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC000891480773 1118692454 /nfs/dbraw/zinc/69/24/54/1118692454.db2.gz SXULYFUFUGPFNA-CYBMUJFWSA-N 0 1 298.352 3.735 20 0 CHADMN FC(F)(F)[C@@H]1CCCN(Cc2nccc3c2CCCC3)C1 ZINC000891480773 1118692457 /nfs/dbraw/zinc/69/24/57/1118692457.db2.gz SXULYFUFUGPFNA-CYBMUJFWSA-N 0 1 298.352 3.735 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@H]2CCCSC2)cs1 ZINC000341402782 1118693212 /nfs/dbraw/zinc/69/32/12/1118693212.db2.gz RAKNXPIMQURNPM-MNOVXSKESA-N 0 1 270.467 3.813 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cc2cn3cccc(F)c3n2)C1 ZINC000684429229 1118705697 /nfs/dbraw/zinc/70/56/97/1118705697.db2.gz SURBBXVAJLIFDP-CYBMUJFWSA-N 0 1 289.398 3.732 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccc3ncccc3c1)CO2 ZINC000341537530 1118726750 /nfs/dbraw/zinc/72/67/50/1118726750.db2.gz RADBLALXNIDKNY-QGZVFWFLSA-N 0 1 294.329 3.597 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1cccc3cccnc31)CO2 ZINC000341549169 1118735484 /nfs/dbraw/zinc/73/54/84/1118735484.db2.gz VTMFAMHXHJKWCZ-MRXNPFEDSA-N 0 1 294.329 3.597 20 0 CHADMN CC(C)N(Cc1nc(C(C)(C)C)co1)CC1CC1 ZINC000891684874 1118740531 /nfs/dbraw/zinc/74/05/31/1118740531.db2.gz YTGBPWVDLTXCBN-UHFFFAOYSA-N 0 1 250.386 3.593 20 0 CHADMN Cc1ccnc(NCc2ccc3c(n2)CCC3)c1C1CC1 ZINC000668511873 1118746213 /nfs/dbraw/zinc/74/62/13/1118746213.db2.gz LUQBMWHBQPCMKC-UHFFFAOYSA-N 0 1 279.387 3.763 20 0 CHADMN Cc1cc(CN[C@H](CC(C)(C)C)c2ccccc2)nn1C ZINC000341589830 1118749110 /nfs/dbraw/zinc/74/91/10/1118749110.db2.gz HTEIOJPOVWJCIP-QGZVFWFLSA-N 0 1 285.435 3.996 20 0 CHADMN CCN(Cc1cnn(C2CCC2)c1)[C@@H](C)c1cccc(O)c1 ZINC000891714269 1118749652 /nfs/dbraw/zinc/74/96/52/1118749652.db2.gz UJOLULSFXNFQKE-AWEZNQCLSA-N 0 1 299.418 3.897 20 0 CHADMN C[C@@H](NCc1coc2ccccc12)c1ccccn1 ZINC000130930950 1118758120 /nfs/dbraw/zinc/75/81/20/1118758120.db2.gz UOHJINFLBXPQEI-GFCCVEGCSA-N 0 1 252.317 3.679 20 0 CHADMN COc1cc([C@H](C)N[C@H](C)c2cccnc2)ccc1F ZINC000131560953 1118761981 /nfs/dbraw/zinc/76/19/81/1118761981.db2.gz DWLCIAKKYRSYPU-NWDGAFQWSA-N 0 1 274.339 3.641 20 0 CHADMN CCCCN(CC)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000131862910 1118771527 /nfs/dbraw/zinc/77/15/27/1118771527.db2.gz RVDRNVUUDFJZLL-UHFFFAOYSA-N 0 1 277.368 3.568 20 0 CHADMN Cc1nc2ccc(Nc3cc(C(C)(C)C)no3)cc2[nH]1 ZINC001213070157 1128799442 /nfs/dbraw/zinc/79/94/42/1128799442.db2.gz AVZRBUXLRQJNEV-UHFFFAOYSA-N 0 1 270.336 3.900 20 0 CHADMN COc1cc(F)cc(CN(Cc2cccnc2)C(C)C)c1 ZINC000449332690 1118772416 /nfs/dbraw/zinc/77/24/16/1118772416.db2.gz RYADEWZASCEYAB-UHFFFAOYSA-N 0 1 288.366 3.640 20 0 CHADMN O=C(Nc1ccsc1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000135371891 1118773393 /nfs/dbraw/zinc/77/33/93/1118773393.db2.gz DEOZXBRJQNFQDL-UHFFFAOYSA-N 0 1 287.319 3.530 20 0 CHADMN c1cc(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)n(C2CCC2)n1 ZINC000891787010 1118774519 /nfs/dbraw/zinc/77/45/19/1118774519.db2.gz UTLXBSFODRFJQS-FLOBVVSRSA-N 0 1 285.435 3.619 20 0 CHADMN CCc1nnc([C@@H](C)N[C@H](C)C(C)(C)c2ccccc2)o1 ZINC000341642452 1118774906 /nfs/dbraw/zinc/77/49/06/1118774906.db2.gz VCZBOIOYEDPEKY-CHWSQXEVSA-N 0 1 287.407 3.649 20 0 CHADMN CC1=C[C@H](C)C[N@H+](Cc2cnc(C(C)C)s2)C1 ZINC000430863561 1118779929 /nfs/dbraw/zinc/77/99/29/1118779929.db2.gz HTCCMZVBVWZYHH-NSHDSACASA-N 0 1 250.411 3.665 20 0 CHADMN CC1=C[C@H](C)CN(Cc2cnc(C(C)C)s2)C1 ZINC000430863561 1118779932 /nfs/dbraw/zinc/77/99/32/1118779932.db2.gz HTCCMZVBVWZYHH-NSHDSACASA-N 0 1 250.411 3.665 20 0 CHADMN COc1cc(C[N@@H+]2CC(C)=C[C@H](C)C2)cc(Cl)c1OC ZINC000430876944 1118780100 /nfs/dbraw/zinc/78/01/00/1118780100.db2.gz UBQMJQQHOGXLQH-NSHDSACASA-N 0 1 295.810 3.755 20 0 CHADMN COc1cc(CN2CC(C)=C[C@H](C)C2)cc(Cl)c1OC ZINC000430876944 1118780103 /nfs/dbraw/zinc/78/01/03/1118780103.db2.gz UBQMJQQHOGXLQH-NSHDSACASA-N 0 1 295.810 3.755 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000430883793 1118783081 /nfs/dbraw/zinc/78/30/81/1118783081.db2.gz RZGGOWSCGRISHY-VXGBXAGGSA-N 0 1 276.449 3.666 20 0 CHADMN CCc1nc(C)c(CN[C@H]2CCc3ccc(Cl)cc32)o1 ZINC000426332975 1118783442 /nfs/dbraw/zinc/78/34/42/1118783442.db2.gz YCDAPSCSQAGMGF-AWEZNQCLSA-N 0 1 290.794 3.976 20 0 CHADMN C(=Cc1ccccc1)c1n[nH]c(SC2CCC2)n1 ZINC000430964711 1118794977 /nfs/dbraw/zinc/79/49/77/1118794977.db2.gz IVEQRNQXFQSXIR-KTKRTIGZSA-N 0 1 257.362 3.620 20 0 CHADMN Cc1cnc(CN[C@H]2c3ccccc3CC[C@H]2C)s1 ZINC000341695200 1118799448 /nfs/dbraw/zinc/79/94/48/1118799448.db2.gz JWYINZZEXBMWMX-BDJLRTHQSA-N 0 1 272.417 3.865 20 0 CHADMN CC(C)(C)OCCNCc1ccc(CSC(F)F)o1 ZINC000308691033 1118803753 /nfs/dbraw/zinc/80/37/53/1118803753.db2.gz JCWDKACXYJPKMX-UHFFFAOYSA-N 0 1 293.379 3.640 20 0 CHADMN CC[C@H](NCc1snnc1C)c1cccc(Cl)c1 ZINC000293903531 1118808340 /nfs/dbraw/zinc/80/83/40/1118808340.db2.gz ZRWCIDZFWOAILI-LBPRGKRZSA-N 0 1 281.812 3.741 20 0 CHADMN C[C@H]1CCCN(Cc2nc(C(C)(C)C)co2)[C@H]1C ZINC000891863409 1118811163 /nfs/dbraw/zinc/81/11/63/1118811163.db2.gz XGPHMOREKHDCQJ-RYUDHWBXSA-N 0 1 250.386 3.593 20 0 CHADMN CC(C)c1ccc(/C=C/CC(=O)N(C)Cc2cnc[nH]2)cc1 ZINC000616927000 1128802305 /nfs/dbraw/zinc/80/23/05/1128802305.db2.gz YBJUHBWHKLGGGQ-SNAWJCMRSA-N 0 1 297.402 3.595 20 0 CHADMN CCN(Cc1ccccc1OC)[C@@H](C)c1cccc(O)c1 ZINC000091975234 1118820535 /nfs/dbraw/zinc/82/05/35/1118820535.db2.gz KYSQLRDDDCUGPM-AWEZNQCLSA-N 0 1 285.387 3.984 20 0 CHADMN CC(C)COc1cccc(CN[C@H]2CCCc3c[nH]nc32)c1 ZINC000510841531 1118829169 /nfs/dbraw/zinc/82/91/69/1118829169.db2.gz KXIWCJJPPUVWEC-KRWDZBQOSA-N 0 1 299.418 3.612 20 0 CHADMN Cc1ccc(CN2CCCSC[C@H]2C2CC2)nc1Cl ZINC000933911905 1118843297 /nfs/dbraw/zinc/84/32/97/1118843297.db2.gz HCOCHJSBPJKUPZ-AWEZNQCLSA-N 0 1 296.867 3.761 20 0 CHADMN C[C@@H](CC(F)(F)F)NCc1ccccc1Cl ZINC000132469377 1118851315 /nfs/dbraw/zinc/85/13/15/1118851315.db2.gz HIYZKNVVOCJDAH-QMMMGPOBSA-N 0 1 251.679 3.771 20 0 CHADMN Cc1nc(C2(NC[C@H]3CCC[C@H](C)C3)CCCC2)no1 ZINC000092564624 1118856476 /nfs/dbraw/zinc/85/64/76/1118856476.db2.gz UMADXEBDPKVHNF-JSGCOSHPSA-N 0 1 277.412 3.563 20 0 CHADMN Cc1cc(CN[C@@H](CO)c2ccc(Cl)cc2)ccc1F ZINC000093114242 1118857291 /nfs/dbraw/zinc/85/72/91/1118857291.db2.gz RBCSNFIKHPCDAM-INIZCTEOSA-N 0 1 293.769 3.611 20 0 CHADMN CCc1ccccc1CN[C@@H](C)c1nc2ccccc2n1C ZINC000133093946 1118859458 /nfs/dbraw/zinc/85/94/58/1118859458.db2.gz KVVXSIAPCKUBSK-AWEZNQCLSA-N 0 1 293.414 3.987 20 0 CHADMN C[C@@H](CNc1cc[nH+]c2c([O-])cccc12)c1ccncc1 ZINC000684577080 1118862385 /nfs/dbraw/zinc/86/23/85/1118862385.db2.gz UPSJKBOXCYMWAL-LBPRGKRZSA-N 0 1 279.343 3.551 20 0 CHADMN c1coc(-c2ncc(CN3CC(C4CCC4)C3)s2)c1 ZINC000348709878 1118868902 /nfs/dbraw/zinc/86/89/02/1118868902.db2.gz BWSZNCLJCNSTGE-UHFFFAOYSA-N 0 1 274.389 3.635 20 0 CHADMN CCCc1csc(CN2CCC[C@@H](C)[C@H]2C)n1 ZINC000426418274 1118872523 /nfs/dbraw/zinc/87/25/23/1118872523.db2.gz WKDJNTMMTXZZKV-VXGBXAGGSA-N 0 1 252.427 3.716 20 0 CHADMN CCCc1csc(CN2CCC[C@H](C)[C@H]2C)n1 ZINC000426418272 1118872551 /nfs/dbraw/zinc/87/25/51/1118872551.db2.gz WKDJNTMMTXZZKV-NWDGAFQWSA-N 0 1 252.427 3.716 20 0 CHADMN C[C@H](NCC1CCC(C(F)(F)F)CC1)C(C)(F)F ZINC000449415252 1118876952 /nfs/dbraw/zinc/87/69/52/1118876952.db2.gz OHTUNFHJJPJXDC-IDKOKCKLSA-N 0 1 273.289 3.988 20 0 CHADMN C[C@H]1[C@@H](C(F)(F)F)CCN1c1cc[nH+]c2c([O-])cccc12 ZINC000684592084 1118879034 /nfs/dbraw/zinc/87/90/34/1118879034.db2.gz DQIRQZDZJDFKAR-ONGXEEELSA-N 0 1 296.292 3.718 20 0 CHADMN c1n[nH]cc1CN1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000657139468 1118883556 /nfs/dbraw/zinc/88/35/56/1118883556.db2.gz KHUKUSXQSFLVTR-KRWDZBQOSA-N 0 1 281.403 3.917 20 0 CHADMN CCCN1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000095556478 1118894479 /nfs/dbraw/zinc/89/44/79/1118894479.db2.gz IPVPEZGOUYWZAJ-UHFFFAOYSA-N 0 1 273.207 3.525 20 0 CHADMN Cn1ccc(CN2CCCCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000535825598 1118901694 /nfs/dbraw/zinc/90/16/94/1118901694.db2.gz HWUUHXBCPLVBIO-TZZQJPOUSA-N 0 1 295.430 3.878 20 0 CHADMN CCc1cc(CN[C@H]2CCCc3ccc(C)cc32)on1 ZINC000535839109 1118906004 /nfs/dbraw/zinc/90/60/04/1118906004.db2.gz NPQDPUNJKCNCHC-KRWDZBQOSA-N 0 1 270.376 3.713 20 0 CHADMN CN(C)Cc1cccc(Nc2cccc(O)c2Cl)c1F ZINC001216231594 1118912938 /nfs/dbraw/zinc/91/29/38/1118912938.db2.gz MDDNQVWBCKRKMU-UHFFFAOYSA-N 0 1 294.757 3.990 20 0 CHADMN CC(C)c1ncc(CN[C@H]2CCc3c2cccc3O)s1 ZINC000132181524 1118914535 /nfs/dbraw/zinc/91/45/35/1118914535.db2.gz QTRSMPWUNQWZKI-AWEZNQCLSA-N 0 1 288.416 3.749 20 0 CHADMN Cn1nc2c(c1CN1CCCCC[C@H]1c1ccco1)CCC2 ZINC000892052274 1118949677 /nfs/dbraw/zinc/94/96/77/1118949677.db2.gz MFUDTBQILULBIX-INIZCTEOSA-N 0 1 299.418 3.619 20 0 CHADMN CC[C@@H](NCc1cccnc1C)c1ccc(F)cc1F ZINC000119576694 1118950334 /nfs/dbraw/zinc/95/03/34/1118950334.db2.gz DGUMRKWJTCKMTI-MRXNPFEDSA-N 0 1 276.330 3.909 20 0 CHADMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1nccn1C1CC1 ZINC000892084668 1118960688 /nfs/dbraw/zinc/96/06/88/1118960688.db2.gz BDKMRKVJOHIPNN-HIFRSBDPSA-N 0 1 299.393 3.735 20 0 CHADMN CCn1nc(C)c([C@@H](C)N[C@H]2C[C@H](c3ccccc3C)C2)n1 ZINC000926349514 1118965487 /nfs/dbraw/zinc/96/54/87/1118965487.db2.gz ALZWSILCDKIXMP-FVQBIDKESA-N 0 1 298.434 3.512 20 0 CHADMN COCc1ccccc1CNCc1ccc(F)c(F)c1F ZINC000657297420 1118966552 /nfs/dbraw/zinc/96/65/52/1118966552.db2.gz CQYHAVOOYCVAQY-UHFFFAOYSA-N 0 1 295.304 3.540 20 0 CHADMN COc1cc([C@@H](C)NCc2cnc(C(C)C)s2)ccn1 ZINC000342285845 1118968703 /nfs/dbraw/zinc/96/87/03/1118968703.db2.gz JKAFHDJNURLKJV-LLVKDONJSA-N 0 1 291.420 3.521 20 0 CHADMN CCC[C@@]1(C)CCCN(CC(=O)Nc2ccc(C)cc2)C1 ZINC001167508903 1118969507 /nfs/dbraw/zinc/96/95/07/1118969507.db2.gz JOZUAKRISNYCAG-SFHVURJKSA-N 0 1 288.435 3.836 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)NCCC(C)C)n2)ccc1F ZINC000511048654 1118979111 /nfs/dbraw/zinc/97/91/11/1118979111.db2.gz RTCIRUSHTCZFPX-GFCCVEGCSA-N 0 1 291.370 3.881 20 0 CHADMN CCCOc1ccc(CNC(C)(C)CF)cc1OCC ZINC000472127403 1118984131 /nfs/dbraw/zinc/98/41/31/1118984131.db2.gz DAEGZUUOQMCQNH-UHFFFAOYSA-N 0 1 283.387 3.712 20 0 CHADMN CC(C)(C)c1coc(CNCC[C@@H]2CC=CCC2)n1 ZINC000724394679 1118987011 /nfs/dbraw/zinc/98/70/11/1118987011.db2.gz MOZMSNYSBGGVSZ-CYBMUJFWSA-N 0 1 262.397 3.808 20 0 CHADMN CC(C)(C)c1coc(CNCC[C@H]2CC=CCC2)n1 ZINC000724394683 1118987102 /nfs/dbraw/zinc/98/71/02/1118987102.db2.gz MOZMSNYSBGGVSZ-ZDUSSCGKSA-N 0 1 262.397 3.808 20 0 CHADMN CC(C)Oc1ncccc1CN[C@H](C)c1cccc(F)c1 ZINC000048760476 1118989920 /nfs/dbraw/zinc/98/99/20/1118989920.db2.gz NUYCGPFCEFWPFC-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2coc3ccccc23)C1 ZINC000161124569 1118996811 /nfs/dbraw/zinc/99/68/11/1118996811.db2.gz RKQANYWIYJFFPF-CYBMUJFWSA-N 0 1 287.359 3.510 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1cnc2n1CCC2 ZINC000657319010 1118997285 /nfs/dbraw/zinc/99/72/85/1118997285.db2.gz ZJALHTILIUIOSA-HNNXBMFYSA-N 0 1 299.418 3.534 20 0 CHADMN CN(Cc1cnn(C)c1)Cc1ccc(-c2ccccc2)s1 ZINC000119699403 1119002889 /nfs/dbraw/zinc/00/28/89/1119002889.db2.gz NRHNZDIHIMYCLB-UHFFFAOYSA-N 0 1 297.427 3.781 20 0 CHADMN CCOc1ccc(CNCc2ccoc2C)c(C)c1 ZINC000657326519 1119003182 /nfs/dbraw/zinc/00/31/82/1119003182.db2.gz NUXLMCWDOXPAJO-UHFFFAOYSA-N 0 1 259.349 3.585 20 0 CHADMN CC[C@@H]1C[C@@H](NCc2c(Cl)cccc2Cl)CO1 ZINC000657337508 1119010264 /nfs/dbraw/zinc/01/02/64/1119010264.db2.gz XWKVFUFGTJHDNM-NXEZZACHSA-N 0 1 274.191 3.651 20 0 CHADMN Cc1ccncc1CN[C@H](c1ncccc1C)C(C)(C)C ZINC000934292033 1119010728 /nfs/dbraw/zinc/01/07/28/1119010728.db2.gz OOAHATQLUYUOIB-QGZVFWFLSA-N 0 1 283.419 3.970 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccccc2-n2ccnc2)o1 ZINC000152266211 1119025393 /nfs/dbraw/zinc/02/53/93/1119025393.db2.gz NEZOTJBWVRCWHI-CQSZACIVSA-N 0 1 281.359 3.625 20 0 CHADMN COCc1csc(CN[C@@H](C)c2cnn(C(C)C)c2)c1 ZINC000657358836 1119026346 /nfs/dbraw/zinc/02/63/46/1119026346.db2.gz HNDPPWDKNVXXET-LBPRGKRZSA-N 0 1 293.436 3.523 20 0 CHADMN CCc1noc(CC)c1CN[C@H]1CCc2ccc(F)cc21 ZINC000124818494 1119034027 /nfs/dbraw/zinc/03/40/27/1119034027.db2.gz QSYQMXNSJSXUEK-INIZCTEOSA-N 0 1 288.366 3.716 20 0 CHADMN CC(C)(NCc1cncnc1)c1cccc(C(F)(F)F)c1 ZINC000263842828 1119043318 /nfs/dbraw/zinc/04/33/18/1119043318.db2.gz HXFFIZQCUIWEFL-UHFFFAOYSA-N 0 1 295.308 3.520 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@H](C)c1cnn(C)c1 ZINC000044497861 1119057096 /nfs/dbraw/zinc/05/70/96/1119057096.db2.gz FFZHMWUPKQQLRU-IUODEOHRSA-N 0 1 287.407 3.686 20 0 CHADMN CCOc1ccc(CN[C@@H]2COc3ccc(C)cc32)c(C)c1 ZINC000657399721 1119057758 /nfs/dbraw/zinc/05/77/58/1119057758.db2.gz CVVCSKHDZSLBBT-GOSISDBHSA-N 0 1 297.398 3.925 20 0 CHADMN c1nc(CN[C@H]2CCOC23CCCC3)oc1-c1ccccc1 ZINC000934399113 1119061793 /nfs/dbraw/zinc/06/17/93/1119061793.db2.gz ZSGOAQBMHGSINA-INIZCTEOSA-N 0 1 298.386 3.533 20 0 CHADMN C[C@@H](NC/C=C\Cl)c1ccc(F)c(Br)c1 ZINC000309067731 1119066839 /nfs/dbraw/zinc/06/68/39/1119066839.db2.gz AZXVTIGFCORSJT-ZTHSNPKKSA-N 0 1 292.579 3.991 20 0 CHADMN O=C(Nc1ccccc1Nc1ccncc1)C1CCCCC1 ZINC000684850835 1119069188 /nfs/dbraw/zinc/06/91/88/1119069188.db2.gz IRTYFLIHLVKPEA-UHFFFAOYSA-N 0 1 295.386 3.766 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cnc2ccccc2c1 ZINC000342532737 1119070825 /nfs/dbraw/zinc/07/08/25/1119070825.db2.gz AMDNCZGPQWVVKR-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN CCO[C@H]1CCN(Cc2ccc(Cl)s2)C[C@H]1C ZINC000449493426 1119083526 /nfs/dbraw/zinc/08/35/26/1119083526.db2.gz LFUJYGGSEBKKJK-PWSUYJOCSA-N 0 1 273.829 3.648 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cnc3ccccc3n2)s1 ZINC000049160719 1119087122 /nfs/dbraw/zinc/08/71/22/1119087122.db2.gz CGRIOSSYNOEEDN-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1nnc(CN2CCC[C@@H](C(C)(C)C)CC2)n1C1CC1 ZINC000116308335 1119088694 /nfs/dbraw/zinc/08/86/94/1119088694.db2.gz FXMIRPILZSEXRU-CQSZACIVSA-N 0 1 290.455 3.570 20 0 CHADMN CN(CC[C@H]1CCCO1)Cc1ccc(Cl)cc1Cl ZINC000342573071 1119088780 /nfs/dbraw/zinc/08/87/80/1119088780.db2.gz UIBLMJOGLJGBCQ-CYBMUJFWSA-N 0 1 288.218 3.994 20 0 CHADMN CC(C)c1cccc(CNCc2ccnn2CC2CC2)c1 ZINC000657435796 1119089321 /nfs/dbraw/zinc/08/93/21/1119089321.db2.gz FQAZOZYNRIDGLN-UHFFFAOYSA-N 0 1 283.419 3.706 20 0 CHADMN CCc1cc(C(=O)N2CCC[C@H]2c2c(C)cccc2C)n[nH]1 ZINC000617175734 1128821038 /nfs/dbraw/zinc/82/10/38/1128821038.db2.gz OABOVCOBWNBOJZ-INIZCTEOSA-N 0 1 297.402 3.566 20 0 CHADMN CC(C)Sc1ccc(C[N@H+]2CCOC[C@@H](C)C2)cc1 ZINC000511131448 1119091232 /nfs/dbraw/zinc/09/12/32/1119091232.db2.gz QQQIKPUTOHERRX-AWEZNQCLSA-N 0 1 279.449 3.655 20 0 CHADMN CC/C=C/CCN[C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000342625975 1119104961 /nfs/dbraw/zinc/10/49/61/1119104961.db2.gz AEKUVNPPWQUNNA-ABZNLYFFSA-N 0 1 296.436 3.635 20 0 CHADMN COCCN(Cc1ccco1)Cc1c(C)cccc1C ZINC000342668936 1119119684 /nfs/dbraw/zinc/11/96/84/1119119684.db2.gz DGEHFHURSNASFZ-UHFFFAOYSA-N 0 1 273.376 3.545 20 0 CHADMN C[N@@H+](Cc1c(Cl)ccc2cccnc21)[C@H]1CCSC1 ZINC000119926497 1119120173 /nfs/dbraw/zinc/12/01/73/1119120173.db2.gz JWBMABKALCDNMT-LBPRGKRZSA-N 0 1 292.835 3.826 20 0 CHADMN C[C@@H]1CN(C[C@@]2(C)CCCS2)C[C@@H](c2ccsc2)O1 ZINC000628185941 1128823068 /nfs/dbraw/zinc/82/30/68/1128823068.db2.gz RHFSBEWKUUIQOM-VHDGCEQUSA-N 0 1 297.489 3.796 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cnn(CC3CCC3)c2)c1 ZINC000934552982 1119130682 /nfs/dbraw/zinc/13/06/82/1119130682.db2.gz ZVFYDZLGHFKEDM-AWEZNQCLSA-N 0 1 299.418 3.543 20 0 CHADMN COc1cccc([C@H](C)N2CCOc3ccccc3C2)c1 ZINC000079401190 1119133235 /nfs/dbraw/zinc/13/32/35/1119133235.db2.gz UIOVOCBYHLHRNT-AWEZNQCLSA-N 0 1 283.371 3.651 20 0 CHADMN c1ccc(-c2noc(CN(C3CC3)C3CCCC3)n2)cc1 ZINC000097211304 1119139731 /nfs/dbraw/zinc/13/97/31/1119139731.db2.gz PHKXFCFVFCHFKL-UHFFFAOYSA-N 0 1 283.375 3.644 20 0 CHADMN Fc1cccc2c1CC[C@H]2N[C@@H]1CCCc2cccnc21 ZINC000684954676 1119140147 /nfs/dbraw/zinc/14/01/47/1119140147.db2.gz CPVPUFWBIZEPOC-IAGOWNOFSA-N 0 1 282.362 3.875 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000152906915 1119140872 /nfs/dbraw/zinc/14/08/72/1119140872.db2.gz YEZSIFXICOPNJN-UTUOFQBUSA-N 0 1 289.404 3.591 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@H]1CCCc2cccnc21 ZINC000684960797 1119144427 /nfs/dbraw/zinc/14/44/27/1119144427.db2.gz TZEZEQIAOAXGHD-DYVFJYSZSA-N 0 1 281.403 3.767 20 0 CHADMN Cc1cccc2c1OCC[C@H]2N[C@@H]1CCCc2cccnc21 ZINC000684962510 1119144474 /nfs/dbraw/zinc/14/44/74/1119144474.db2.gz UWGBDBLLXAUGAL-IAGOWNOFSA-N 0 1 294.398 3.881 20 0 CHADMN Cc1cnc(Nc2ccnc(C(C)(C)C)c2)c(C)n1 ZINC001213163234 1119151955 /nfs/dbraw/zinc/15/19/55/1119151955.db2.gz ZHAQABCMKYHJOD-UHFFFAOYSA-N 0 1 256.353 3.530 20 0 CHADMN C[C@@H](CNCc1csc(C(C)(C)C)n1)c1ccccn1 ZINC000657532562 1119161131 /nfs/dbraw/zinc/16/11/31/1119161131.db2.gz JPOUDANZFKZVOP-LBPRGKRZSA-N 0 1 289.448 3.729 20 0 CHADMN CC(C)CCN1Cc2cccc(NC(=O)C3(C)CC3)c2C1 ZINC000153088932 1119162319 /nfs/dbraw/zinc/16/23/19/1119162319.db2.gz VJJCLMZIYGZJFT-UHFFFAOYSA-N 0 1 286.419 3.787 20 0 CHADMN CCO[C@H](C)c1nc(CN2C[C@@H](C)C[C@@H]2CC)cs1 ZINC000075022718 1119170796 /nfs/dbraw/zinc/17/07/96/1119170796.db2.gz RRWYVGWIYRULQK-SCRDCRAPSA-N 0 1 282.453 3.861 20 0 CHADMN Fc1cccc([C@H]2CCN(Cc3ccncc3Cl)C2)c1 ZINC000075717452 1119176681 /nfs/dbraw/zinc/17/66/81/1119176681.db2.gz GIEVTPKDALAXCQ-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN COc1ccc(C)cc1CN(C)[C@@H](CCO)c1ccccc1 ZINC000075898124 1119180675 /nfs/dbraw/zinc/18/06/75/1119180675.db2.gz HGDLKBXHEGNEFZ-SFHVURJKSA-N 0 1 299.414 3.559 20 0 CHADMN CC(C)(C)c1cnc(CN2CCC[C@H]3CCC[C@@H]32)o1 ZINC000075768968 1119181483 /nfs/dbraw/zinc/18/14/83/1119181483.db2.gz BTLNEAZKRGLKLI-OLZOCXBDSA-N 0 1 262.397 3.737 20 0 CHADMN Cc1cc(CN2C[C@@H](C)C[C@@H]2c2cccc(F)c2)on1 ZINC000075843375 1119182300 /nfs/dbraw/zinc/18/23/00/1119182300.db2.gz ONCCQIRFCKKTFM-MEDUHNTESA-N 0 1 274.339 3.705 20 0 CHADMN Cc1ccc(-c2nc(CN3CCCC3)cs2)cc1 ZINC000014193481 1119182430 /nfs/dbraw/zinc/18/24/30/1119182430.db2.gz DYTHDYPPBKHHFG-UHFFFAOYSA-N 0 1 258.390 3.714 20 0 CHADMN Cc1ccc(-c2nc(CN3C[C@@H](C)[C@H](C)C3)cs2)o1 ZINC000076110774 1119182569 /nfs/dbraw/zinc/18/25/69/1119182569.db2.gz DQKVHSKCWPAUNZ-GHMZBOCLSA-N 0 1 276.405 3.799 20 0 CHADMN CN(Cc1cnc(C(C)(C)C)nc1)[C@H]1CCc2ccccc21 ZINC000342810848 1119186147 /nfs/dbraw/zinc/18/61/47/1119186147.db2.gz XIEGMDVXEIHWSI-KRWDZBQOSA-N 0 1 295.430 3.893 20 0 CHADMN CCO[C@H](C)c1nc(CN2CCC[C@@H]2C2CC2)cs1 ZINC000076726956 1119189152 /nfs/dbraw/zinc/18/91/52/1119189152.db2.gz KHBMWUKKWRUCMI-BXUZGUMPSA-N 0 1 280.437 3.615 20 0 CHADMN Cc1nc2c(s1)[C@H](N(C)CCC(F)(F)F)CCC2 ZINC000077286710 1119191970 /nfs/dbraw/zinc/19/19/70/1119191970.db2.gz MPEMPOCXBBRLNU-SNVBAGLBSA-N 0 1 278.343 3.713 20 0 CHADMN OCCCCN(Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000077376373 1119192271 /nfs/dbraw/zinc/19/22/71/1119192271.db2.gz DMANNSNJXFEVCS-UHFFFAOYSA-N 0 1 288.218 3.730 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cncc(F)c2)cc1F ZINC000119097202 1119204996 /nfs/dbraw/zinc/20/49/96/1119204996.db2.gz VPUCLGAMEYAFPE-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN Clc1sccc1CN1CCC2(CCOCC2)CC1 ZINC000342843361 1119205425 /nfs/dbraw/zinc/20/54/25/1119205425.db2.gz QWCXQLCSJVTVLQ-UHFFFAOYSA-N 0 1 285.840 3.794 20 0 CHADMN Cc1nc(CCN(C)[C@H](C)c2ccccc2F)cs1 ZINC000119238334 1119206666 /nfs/dbraw/zinc/20/66/66/1119206666.db2.gz IXKAPOFTGLAGMC-LLVKDONJSA-N 0 1 278.396 3.826 20 0 CHADMN C[C@@H](Oc1ccnc(NCC2(C)COC2)c1)c1ccccc1 ZINC000657618042 1119209681 /nfs/dbraw/zinc/20/96/81/1119209681.db2.gz PMQAWKIRDHCNNN-CQSZACIVSA-N 0 1 298.386 3.670 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2cnc(C)nc2C)c(C)o1 ZINC000119386485 1119210573 /nfs/dbraw/zinc/21/05/73/1119210573.db2.gz VFHYYKIGQZZVRQ-MNOVXSKESA-N 0 1 273.380 3.715 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H](C2CC2)C1)c1nc(C(C)(C)C)no1 ZINC000237527788 1119211634 /nfs/dbraw/zinc/21/16/34/1119211634.db2.gz PQTDOQBUVCWHJC-IACUBPJLSA-N 0 1 291.439 3.987 20 0 CHADMN CC(C)(C)OCCCNCc1coc(-c2ccccc2)n1 ZINC000657638767 1119217846 /nfs/dbraw/zinc/21/78/46/1119217846.db2.gz WRVWQJRQMXIZEJ-UHFFFAOYSA-N 0 1 288.391 3.636 20 0 CHADMN CCN(Cc1ncc(-c2ccccc2F)o1)CC1CC1 ZINC000119935002 1119225022 /nfs/dbraw/zinc/22/50/22/1119225022.db2.gz FGPALVVFOJUINF-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN C[C@@]1(CNCc2nc(C(F)(F)F)cs2)CCCS1 ZINC000628218788 1128830572 /nfs/dbraw/zinc/83/05/72/1128830572.db2.gz QMWJJDBYCJIKHZ-JTQLQIEISA-N 0 1 296.383 3.537 20 0 CHADMN CCOc1cccc([C@H](C)N[C@H](C)c2cnc(C)nc2C)c1 ZINC000120577705 1119243599 /nfs/dbraw/zinc/24/35/99/1119243599.db2.gz URHJLNQCNCKLJU-QWHCGFSZSA-N 0 1 299.418 3.904 20 0 CHADMN Cc1ccc(CN2CC(C3CC3)C2)c(Br)c1 ZINC000643345285 1119246008 /nfs/dbraw/zinc/24/60/08/1119246008.db2.gz NBLCELMQOZQPLK-UHFFFAOYSA-N 0 1 280.209 3.599 20 0 CHADMN COC(=O)c1ccc(CN2CCC(CC(C)C)CC2)s1 ZINC001167633254 1119247279 /nfs/dbraw/zinc/24/72/79/1119247279.db2.gz CYFHTYQHFTYOFY-UHFFFAOYSA-N 0 1 295.448 3.793 20 0 CHADMN Fc1ccc([C@@H]2CCCN2Cc2cccnc2)cc1 ZINC000078796285 1119252836 /nfs/dbraw/zinc/25/28/36/1119252836.db2.gz NFCDLAXRJMSNKA-INIZCTEOSA-N 0 1 256.324 3.558 20 0 CHADMN Cc1cnc(CN[C@H]2C[C@H](OC(C)(C)C)C23CCC3)s1 ZINC000657703287 1119258672 /nfs/dbraw/zinc/25/86/72/1119258672.db2.gz WAZUGGACWQIZHG-STQMWFEESA-N 0 1 294.464 3.667 20 0 CHADMN CCn1c2ccccc2nc1[C@H](C)NCc1ccc(O)cc1 ZINC000091316127 1119261190 /nfs/dbraw/zinc/26/11/90/1119261190.db2.gz HODLUJFJYOPPJZ-ZDUSSCGKSA-N 0 1 295.386 3.613 20 0 CHADMN C[C@H]1C[C@H](c2cccnc2)N(Cc2scnc2C2CC2)C1 ZINC000426155421 1119270135 /nfs/dbraw/zinc/27/01/35/1119270135.db2.gz XLCGPGVNLKXCBK-SWLSCSKDSA-N 0 1 299.443 3.999 20 0 CHADMN CCCN(CCc1cccs1)Cc1nc(C)c(C)[nH]1 ZINC000628239298 1128833628 /nfs/dbraw/zinc/83/36/28/1128833628.db2.gz LBMMPGCJXHEPQY-UHFFFAOYSA-N 0 1 277.437 3.543 20 0 CHADMN CCSc1ccccc1C[N@@H+](C)CCOCC1CC1 ZINC001167647300 1119272774 /nfs/dbraw/zinc/27/27/74/1119272774.db2.gz LRAWZYUTVUVYOV-UHFFFAOYSA-N 0 1 279.449 3.657 20 0 CHADMN Clc1ccc(CN[C@@H]2CCCc3cccnc32)cc1 ZINC000091660467 1119277642 /nfs/dbraw/zinc/27/76/42/1119277642.db2.gz VAARYJLZWMTYHR-OAHLLOKOSA-N 0 1 272.779 3.902 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2N[C@H]1CCCc2cccnc21 ZINC000091660462 1119277709 /nfs/dbraw/zinc/27/77/09/1119277709.db2.gz HJZODECLIDONLY-GJZGRUSLSA-N 0 1 268.360 3.719 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@@H]1CCCc2cccnc21 ZINC000091660260 1119278489 /nfs/dbraw/zinc/27/84/89/1119278489.db2.gz WSXFVSCYNAHKDY-CZUORRHYSA-N 0 1 282.387 3.818 20 0 CHADMN C[C@@H](N[C@H]1CCCc2cccnc21)c1ccsc1 ZINC000091661577 1119280236 /nfs/dbraw/zinc/28/02/36/1119280236.db2.gz CBWPFOQEWGZJID-RISCZKNCSA-N 0 1 258.390 3.871 20 0 CHADMN Fc1cc(Cl)ccc1CNc1ncnc2ccsc21 ZINC000343017412 1119281833 /nfs/dbraw/zinc/28/18/33/1119281833.db2.gz RVSROQJJUYESRN-UHFFFAOYSA-N 0 1 293.754 3.518 20 0 CHADMN CC(C)C[C@@H](NC(=O)/C=C/C1CC1)c1nc2ccccc2[nH]1 ZINC000079434794 1119283972 /nfs/dbraw/zinc/28/39/72/1119283972.db2.gz OWLAWDMABMUYHE-ZNFPLGDCSA-N 0 1 297.402 3.733 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3c(C)oc(C)c3C)ccc12 ZINC000091835720 1119288632 /nfs/dbraw/zinc/28/86/32/1119288632.db2.gz NYZYHPOGUBDZKQ-UHFFFAOYSA-N 0 1 283.331 3.642 20 0 CHADMN CC(C)COc1cccc(CN[C@@H](CO)c2ccccc2)c1 ZINC000305731539 1119290101 /nfs/dbraw/zinc/29/01/01/1119290101.db2.gz MUKCOVIIOPRDCK-IBGZPJMESA-N 0 1 299.414 3.545 20 0 CHADMN Cc1cnc(CN[C@H]2CCCc3ccccc32)s1 ZINC000123003151 1119290498 /nfs/dbraw/zinc/29/04/98/1119290498.db2.gz PCCYWISKGYANQV-AWEZNQCLSA-N 0 1 258.390 3.619 20 0 CHADMN C[C@@H](N[C@H]1CCCC1(F)F)C1CCC(F)(F)CC1 ZINC000672622486 1119297188 /nfs/dbraw/zinc/29/71/88/1119297188.db2.gz ZDMTURKANVFWDF-KOLCDFICSA-N 0 1 267.310 3.978 20 0 CHADMN Cc1ccc(CN(C)Cc2cc3ccccc3o2)cn1 ZINC000153962509 1119297730 /nfs/dbraw/zinc/29/77/30/1119297730.db2.gz VHOPJOMRMWQTTJ-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C)C[C@@H]2c2ccco2)cn1 ZINC000153984650 1119298010 /nfs/dbraw/zinc/29/80/10/1119298010.db2.gz MVVNFMPEXHRXMW-CZUORRHYSA-N 0 1 270.376 3.956 20 0 CHADMN Fc1ccccc1-c1cnc(CN2CCC3(CCC3)C2)o1 ZINC000123587991 1119298727 /nfs/dbraw/zinc/29/87/27/1119298727.db2.gz AHOBLWGLGDLMLO-UHFFFAOYSA-N 0 1 286.350 3.857 20 0 CHADMN CCN(Cc1oc(C)nc1C)Cc1ccc(C)c(C)c1 ZINC001236597037 1128836080 /nfs/dbraw/zinc/83/60/80/1128836080.db2.gz MCDMJOFJFVEENS-UHFFFAOYSA-N 0 1 272.392 3.930 20 0 CHADMN CCOc1cccc(CNCc2ccc3ccccc3n2)c1 ZINC000079695023 1119304680 /nfs/dbraw/zinc/30/46/80/1119304680.db2.gz LGFLBNXSIQSNKM-UHFFFAOYSA-N 0 1 292.382 3.923 20 0 CHADMN CC[C@@H](N[C@@H](C)c1noc(-c2ccccc2)n1)C1CC1 ZINC000124484981 1119315131 /nfs/dbraw/zinc/31/51/31/1119315131.db2.gz YCAMRYKTPVTXJV-SMDDNHRTSA-N 0 1 271.364 3.576 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1cc(OC(C)C)ccc1F ZINC001212305733 1128837372 /nfs/dbraw/zinc/83/73/72/1128837372.db2.gz FTSUQLBDRSICQP-UHFFFAOYSA-N 0 1 299.349 3.842 20 0 CHADMN CC(C)Oc1cccc(C[N@@H+](C)[C@H](CO)c2ccccc2)c1 ZINC000343117426 1119318011 /nfs/dbraw/zinc/31/80/11/1119318011.db2.gz MEBJJJDHZRFJTH-LJQANCHMSA-N 0 1 299.414 3.639 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccco1)c1cccc(-n2cccn2)c1 ZINC000154859244 1119320327 /nfs/dbraw/zinc/32/03/27/1119320327.db2.gz YAHCWYWJPGIQSA-KGLIPLIRSA-N 0 1 281.359 3.877 20 0 CHADMN CC[C@@](C)(NC[C@@H]1CC1(Cl)Cl)c1nccs1 ZINC000309468890 1119321503 /nfs/dbraw/zinc/32/15/03/1119321503.db2.gz QCGZCWPEHOBRRZ-WCBMZHEXSA-N 0 1 279.236 3.552 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2c(C)noc2C)cc1 ZINC000092326291 1119327260 /nfs/dbraw/zinc/32/72/60/1119327260.db2.gz DFCJBGSSUYSLDN-GHMZBOCLSA-N 0 1 274.364 3.712 20 0 CHADMN CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H]1c1ccsc1 ZINC000079989361 1119329249 /nfs/dbraw/zinc/32/92/49/1119329249.db2.gz HQIDZESLEUXMGP-KCQAQPDRSA-N 0 1 294.464 3.578 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)N(C)CC3CC3)n2)ccc1F ZINC000080049003 1119335630 /nfs/dbraw/zinc/33/56/30/1119335630.db2.gz GDPRYTMAHLVCAK-LLVKDONJSA-N 0 1 289.354 3.587 20 0 CHADMN CC[C@H]1CCC[C@@H](C[N@@H+](CC(=O)[O-])Cc2ccccc2)C1 ZINC000692417082 1119336903 /nfs/dbraw/zinc/33/69/03/1119336903.db2.gz YTACRBUSYPEPAT-DOTOQJQBSA-N 0 1 289.419 3.790 20 0 CHADMN C[C@H](c1ccccc1)N1CCN(Cc2ccsc2)CC1 ZINC000536012344 1119353526 /nfs/dbraw/zinc/35/35/26/1119353526.db2.gz WGDOSKZALFECGX-OAHLLOKOSA-N 0 1 286.444 3.627 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1CCSC1CCCCC1 ZINC000566511348 1119354499 /nfs/dbraw/zinc/35/44/99/1119354499.db2.gz PMEGZNYHMPUTHA-IPYPFGDCSA-N 0 1 299.480 3.626 20 0 CHADMN CC(C)(C)c1nc(CN[C@@]2(C)CC2(C)C)cs1 ZINC000657761605 1119358516 /nfs/dbraw/zinc/35/85/16/1119358516.db2.gz OWAJAZQRRYPWIE-AWEZNQCLSA-N 0 1 252.427 3.719 20 0 CHADMN CC1(C)C[C@]1(C)NCc1coc(-c2ccccc2)n1 ZINC000657762297 1119362051 /nfs/dbraw/zinc/36/20/51/1119362051.db2.gz ZWHBCCZUWWPLMQ-INIZCTEOSA-N 0 1 256.349 3.620 20 0 CHADMN CCN(Cc1cc(OC)cc(C)n1)Cc1ccccc1C ZINC000536038653 1119362746 /nfs/dbraw/zinc/36/27/46/1119362746.db2.gz FOHMBRPEVRUWBV-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1cc(OC)cc(C)n1 ZINC000536043477 1119365582 /nfs/dbraw/zinc/36/55/82/1119365582.db2.gz ITURPPSGZQHTFA-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2F)C(C)(C)C1 ZINC000472290295 1119367140 /nfs/dbraw/zinc/36/71/40/1119367140.db2.gz BZMQMSNFWWGZTI-JTQLQIEISA-N 0 1 298.789 3.538 20 0 CHADMN CCOc1cccc(CNCc2ccc(C)cc2OC)c1 ZINC000151027146 1119370354 /nfs/dbraw/zinc/37/03/54/1119370354.db2.gz XYUSWTGPIGOABH-UHFFFAOYSA-N 0 1 285.387 3.692 20 0 CHADMN CCC[C@@H](C)N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000545159311 1119382783 /nfs/dbraw/zinc/38/27/83/1119382783.db2.gz CXCWGEWYJKFWDO-WBMJQRKESA-N 0 1 291.826 3.941 20 0 CHADMN Cc1ccc2nc(CNC(=O)C=CC3CCCCC3)[nH]c2c1 ZINC000255574263 1119392281 /nfs/dbraw/zinc/39/22/81/1119392281.db2.gz YDXUOKLXFKAJPP-NTMALXAHSA-N 0 1 297.402 3.624 20 0 CHADMN CC(C)n1cncc1CN1CC[C@@H](C)[C@@H]2CCCC[C@H]21 ZINC000583689606 1119395280 /nfs/dbraw/zinc/39/52/80/1119395280.db2.gz CFGOCEPLDDYTMB-HYVNUMGLSA-N 0 1 275.440 3.865 20 0 CHADMN Cc1nc(CN2CC[C@H](C(C)(C)C)C[C@@H]2C)oc1C ZINC000561956274 1119400562 /nfs/dbraw/zinc/40/05/62/1119400562.db2.gz GGVGORNJFHEYKA-FZMZJTMJSA-N 0 1 264.413 3.938 20 0 CHADMN Cc1cccc(CC2CN(Cc3cnc(C4CC4)o3)C2)c1 ZINC000628306301 1128843992 /nfs/dbraw/zinc/84/39/92/1128843992.db2.gz UUTPVVLHFSXINS-UHFFFAOYSA-N 0 1 282.387 3.535 20 0 CHADMN CC(C)C[C@H]1CCCN1Cc1ncc(C(C)(C)C)o1 ZINC000130248197 1119408942 /nfs/dbraw/zinc/40/89/42/1119408942.db2.gz BXSHTHRISSKONR-CYBMUJFWSA-N 0 1 264.413 3.983 20 0 CHADMN COCc1nc(CN(C(C)C)C2CC(C)(C)C2)cs1 ZINC000449784410 1119409198 /nfs/dbraw/zinc/40/91/98/1119409198.db2.gz WUIMHMRYAWMADN-UHFFFAOYSA-N 0 1 282.453 3.689 20 0 CHADMN c1csc(CN[C@H](c2ccccc2)C2CCC2)n1 ZINC000105430611 1119413254 /nfs/dbraw/zinc/41/32/54/1119413254.db2.gz PJPVHRFRZZHZQK-OAHLLOKOSA-N 0 1 258.390 3.774 20 0 CHADMN C/C(=C/c1ccc(Cl)cc1)CN[C@H](C)c1nccn1C ZINC000657794766 1119415001 /nfs/dbraw/zinc/41/50/01/1119415001.db2.gz WDARGKSDKBMSEY-KXXVWKPMSA-N 0 1 289.810 3.828 20 0 CHADMN C[C@@H]1CC[C@@H](Sc2nc(Cc3ccccc3)n[nH]2)C1 ZINC001307333696 1119419198 /nfs/dbraw/zinc/41/91/98/1119419198.db2.gz ONOGLFJCGGEAJP-DGCLKSJQSA-N 0 1 273.405 3.676 20 0 CHADMN C[C@@H]1CC[C@@H](Sc2n[nH]c(Cc3ccccc3)n2)C1 ZINC001307333696 1119419203 /nfs/dbraw/zinc/41/92/03/1119419203.db2.gz ONOGLFJCGGEAJP-DGCLKSJQSA-N 0 1 273.405 3.676 20 0 CHADMN Fc1cncc([C@@H](NCc2ccc(F)c(F)c2)C2CC2)c1 ZINC000343449390 1119424102 /nfs/dbraw/zinc/42/41/02/1119424102.db2.gz WHKQGHAYNARBOY-INIZCTEOSA-N 0 1 292.304 3.740 20 0 CHADMN COc1cccc(CNCc2cnc(C3CC3)s2)c1C ZINC000657804448 1119430560 /nfs/dbraw/zinc/43/05/60/1119430560.db2.gz KFPISCIBTWKIBI-UHFFFAOYSA-N 0 1 288.416 3.627 20 0 CHADMN CC[C@@H]1CCC[C@@H](NCc2noc(-c3cccs3)n2)C1 ZINC000564530366 1119430638 /nfs/dbraw/zinc/43/06/38/1119430638.db2.gz KKKRDMJCMUPNKI-VXGBXAGGSA-N 0 1 291.420 3.857 20 0 CHADMN CCOc1ncccc1CN[C@H](C)c1ccc(C)c(C)c1 ZINC000151190863 1119431832 /nfs/dbraw/zinc/43/18/32/1119431832.db2.gz DCIDIIDQYUBHSY-OAHLLOKOSA-N 0 1 284.403 3.948 20 0 CHADMN CC[C@H](N[C@H](C)c1ccc(C)o1)c1c(C)nn(C)c1C ZINC000158198775 1119435881 /nfs/dbraw/zinc/43/58/81/1119435881.db2.gz YWNDBUZLNDIATI-RISCZKNCSA-N 0 1 275.396 3.740 20 0 CHADMN COc1c(C)cc([C@H](C)N[C@H](C)c2cn[nH]c2)cc1Cl ZINC000796848614 1119438437 /nfs/dbraw/zinc/43/84/37/1119438437.db2.gz YMQSPXRVHIYXKQ-WDEREUQCSA-N 0 1 293.798 3.792 20 0 CHADMN C[C@@H]1CCC[C@H]1CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000343526755 1119444582 /nfs/dbraw/zinc/44/45/82/1119444582.db2.gz ZAQGPKVJUMTDOA-KBMXLJTQSA-N 0 1 269.392 3.525 20 0 CHADMN CC[C@]1(C)CCN(Cc2nc(C3CC3)cs2)C1 ZINC000343540272 1119447445 /nfs/dbraw/zinc/44/74/45/1119447445.db2.gz QZVJSAUBEXSFPE-CQSZACIVSA-N 0 1 250.411 3.643 20 0 CHADMN Cc1nn(C(C)C)cc1CN1Cc2ccccc2C[C@H]1C ZINC000343553703 1119451566 /nfs/dbraw/zinc/45/15/66/1119451566.db2.gz PXGXPGHLYXVCIB-CQSZACIVSA-N 0 1 283.419 3.719 20 0 CHADMN CC(C)C[C@@H]1CCN(Cc2nc(C3CC3)cs2)C1 ZINC000343578665 1119460069 /nfs/dbraw/zinc/46/00/69/1119460069.db2.gz NMDBGJPGVIGEEI-LBPRGKRZSA-N 0 1 264.438 3.889 20 0 CHADMN C[C@H](N[C@H]1CCCn2nccc21)c1cccc(Cl)c1 ZINC000657819739 1119462016 /nfs/dbraw/zinc/46/20/16/1119462016.db2.gz YOTXHTHHCAQREX-FZMZJTMJSA-N 0 1 275.783 3.722 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccccc2)[C@H](C)O)c(Cl)c1 ZINC000657821183 1119465386 /nfs/dbraw/zinc/46/53/86/1119465386.db2.gz WZJDQHDRRTYNCM-SUMWQHHRSA-N 0 1 289.806 3.860 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@H]2CCCC[C@H]2C)n1 ZINC000248392793 1119466759 /nfs/dbraw/zinc/46/67/59/1119466759.db2.gz FYXFWTIIIINORD-UTUOFQBUSA-N 0 1 283.441 3.552 20 0 CHADMN Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000343599954 1119466816 /nfs/dbraw/zinc/46/68/16/1119466816.db2.gz IJKAVVOBTPRQJW-LBPRGKRZSA-N 0 1 289.345 3.547 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CC[C@@H](CC(F)(F)F)C1 ZINC000343599954 1119466817 /nfs/dbraw/zinc/46/68/17/1119466817.db2.gz IJKAVVOBTPRQJW-LBPRGKRZSA-N 0 1 289.345 3.547 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2CCCOc3ccccc32)c(C)n1 ZINC000133532258 1119472246 /nfs/dbraw/zinc/47/22/46/1119472246.db2.gz MOMCBPNOJODGDN-SUMWQHHRSA-N 0 1 297.402 3.658 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2ccccc21)c1ccco1 ZINC000133600959 1119472514 /nfs/dbraw/zinc/47/25/14/1119472514.db2.gz CFIKNTIDUPETLZ-TZMCWYRMSA-N 0 1 257.333 3.844 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1cncc(Br)c1 ZINC000168707862 1119472576 /nfs/dbraw/zinc/47/25/76/1119472576.db2.gz XCOSBBVCDIHRMB-CQSZACIVSA-N 0 1 297.240 3.999 20 0 CHADMN CCN(C[C@H]1CCCO1)[C@@H](C)c1ccc(F)cc1F ZINC000343625944 1119474331 /nfs/dbraw/zinc/47/43/31/1119474331.db2.gz OZYOYBULOSMBTN-WCQYABFASA-N 0 1 269.335 3.527 20 0 CHADMN c1coc([C@H](N[C@@H]2COC3(CCC3)C2)c2ccccc2)c1 ZINC000657827344 1119474678 /nfs/dbraw/zinc/47/46/78/1119474678.db2.gz NCDVZRALBQZRCB-DOTOQJQBSA-N 0 1 283.371 3.670 20 0 CHADMN CCN(Cc1csc(C(F)(F)F)c1)[C@@H]1CCCOC1 ZINC000628324857 1128848846 /nfs/dbraw/zinc/84/88/46/1128848846.db2.gz MFWJLTQSKIAEAD-LLVKDONJSA-N 0 1 293.354 3.768 20 0 CHADMN FC(F)(F)c1cccc(CCN2CC3(CC3(F)F)C2)c1 ZINC000628326370 1128848997 /nfs/dbraw/zinc/84/89/97/1128848997.db2.gz DLZXTUHVIPQNBC-UHFFFAOYSA-N 0 1 291.263 3.589 20 0 CHADMN C[C@@H](NCc1ccsc1)c1ccc(C(F)F)nc1 ZINC000657833639 1119484356 /nfs/dbraw/zinc/48/43/56/1119484356.db2.gz BIFDVYNGXQORJN-SECBINFHSA-N 0 1 268.332 3.932 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)n1 ZINC000248556096 1119487093 /nfs/dbraw/zinc/48/70/93/1119487093.db2.gz KSGPFAFLKLHYSY-YVECIDJPSA-N 0 1 297.468 3.798 20 0 CHADMN CSc1ccc(N[C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000343729095 1119495949 /nfs/dbraw/zinc/49/59/49/1119495949.db2.gz UIAZGGPNWJOFMO-HNNXBMFYSA-N 0 1 296.399 3.728 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@@H]2CCCc2ccccc2)n1 ZINC000628186118 1119496294 /nfs/dbraw/zinc/49/62/94/1119496294.db2.gz XYPDJHFCAWKHND-KRWDZBQOSA-N 0 1 283.419 3.705 20 0 CHADMN FC(F)(F)[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000076181451 1119497859 /nfs/dbraw/zinc/49/78/59/1119497859.db2.gz WEBXHYSVIAWQQN-PHIMTYICSA-N 0 1 297.242 3.859 20 0 CHADMN COc1ccccc1C1(N[C@H]2CCc3ccccc32)CC1 ZINC000647328990 1119499442 /nfs/dbraw/zinc/49/94/42/1119499442.db2.gz CUGSFWIYZMUPSL-KRWDZBQOSA-N 0 1 279.383 3.961 20 0 CHADMN C[C@H]1CCCC[C@H]1C[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000692440851 1119501303 /nfs/dbraw/zinc/50/13/03/1119501303.db2.gz ONIMMBHSGSMMRX-RDJZCZTQSA-N 0 1 289.419 3.790 20 0 CHADMN COc1ccc(CN2CCS[C@H](C)[C@H]2C)cc1Cl ZINC000343748241 1119501626 /nfs/dbraw/zinc/50/16/26/1119501626.db2.gz WADBRGFHQZXPIM-GHMZBOCLSA-N 0 1 285.840 3.674 20 0 CHADMN Cc1ccc([C@H](C)CN2CCO[C@H](c3ccco3)C2)cc1 ZINC000628188418 1119501779 /nfs/dbraw/zinc/50/17/79/1119501779.db2.gz ZYURQMPWFDPDHD-QAPCUYQASA-N 0 1 285.387 3.765 20 0 CHADMN CC[C@H](Cc1ccccc1)[N@@H+](C)CCCCCC(=O)[O-] ZINC000584356695 1119504299 /nfs/dbraw/zinc/50/42/99/1119504299.db2.gz ZGHMUEQJPYIZTD-MRXNPFEDSA-N 0 1 277.408 3.585 20 0 CHADMN CC(C)COc1ccccc1CN[C@@H]1CCCn2nccc21 ZINC000657842271 1119505446 /nfs/dbraw/zinc/50/54/46/1119505446.db2.gz CBVMDQJQDCSEFK-MRXNPFEDSA-N 0 1 299.418 3.543 20 0 CHADMN Fc1cccc(Cl)c1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000080961103 1119507242 /nfs/dbraw/zinc/50/72/42/1119507242.db2.gz WIZRWANCFWXXCA-NSHDSACASA-N 0 1 293.773 3.582 20 0 CHADMN C[C@@H](N[C@H]1CCCn2nccc21)c1ccc(F)c(Cl)c1 ZINC000657848178 1119508524 /nfs/dbraw/zinc/50/85/24/1119508524.db2.gz KBCCRGRTMHNKCD-YGRLFVJLSA-N 0 1 293.773 3.861 20 0 CHADMN C[C@H](CC1CC1)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000081393826 1119514841 /nfs/dbraw/zinc/51/48/41/1119514841.db2.gz VWWYFFQGVUJHFL-CYBMUJFWSA-N 0 1 295.386 3.744 20 0 CHADMN CC(C)(C)C[C@H](O)CNc1ccnc2cc(F)ccc21 ZINC000343783902 1119528785 /nfs/dbraw/zinc/52/87/85/1119528785.db2.gz FOJKABYRIRKCLM-LBPRGKRZSA-N 0 1 276.355 3.583 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000089209347 1119538285 /nfs/dbraw/zinc/53/82/85/1119538285.db2.gz SSCJOBYFFBPWNF-ZBEGNZNMSA-N 0 1 293.769 3.863 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2C[C@@H]1C)c1nccs1 ZINC000089613706 1119539742 /nfs/dbraw/zinc/53/97/42/1119539742.db2.gz NBIQCJFNCRCIKI-COPLHBTASA-N 0 1 258.390 3.727 20 0 CHADMN COC[C@@H](N[C@@H]1CCc2c1cccc2OC)c1ccccc1 ZINC000089668759 1119540755 /nfs/dbraw/zinc/54/07/55/1119540755.db2.gz AHYJSUBXEZPJJC-QZTJIDSGSA-N 0 1 297.398 3.660 20 0 CHADMN C[C@H]1CCCN(Cc2cccnc2Br)C[C@H]1C ZINC001137793482 1128853209 /nfs/dbraw/zinc/85/32/09/1128853209.db2.gz QTFCLYCAVTUWNV-NWDGAFQWSA-N 0 1 297.240 3.712 20 0 CHADMN COc1cccc2c1OCC[C@@H]2N[C@@H](C)c1ccccc1 ZINC000089552819 1119542167 /nfs/dbraw/zinc/54/21/67/1119542167.db2.gz DFVJQLDNWAHJDK-BBRMVZONSA-N 0 1 283.371 3.870 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc3c(c1)OCO3)CO2 ZINC000090452856 1119544670 /nfs/dbraw/zinc/54/46/70/1119544670.db2.gz IYHXCLVNXNSLFP-WFASDCNBSA-N 0 1 297.354 3.508 20 0 CHADMN COc1cc(F)cc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000628392534 1128853469 /nfs/dbraw/zinc/85/34/69/1128853469.db2.gz RQYSGEKHLLQXMC-QWRGUYRKSA-N 0 1 287.325 3.557 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1ccccc1)c1cc(C)ccc1OC ZINC000091725469 1119558685 /nfs/dbraw/zinc/55/86/85/1119558685.db2.gz ZKZAEDXQJRVMJD-MSOLQXFVSA-N 0 1 299.414 3.778 20 0 CHADMN C[C@@H](NCCC(F)(F)F)c1nc2c(s1)CCCC2 ZINC000091734741 1119558738 /nfs/dbraw/zinc/55/87/38/1119558738.db2.gz OUYASENZSKFCOQ-MRVPVSSYSA-N 0 1 278.343 3.625 20 0 CHADMN C[C@H](NCc1cnc(C2CC2)s1)c1cccc(O)c1 ZINC000134286187 1119562440 /nfs/dbraw/zinc/56/24/40/1119562440.db2.gz QAVXHLWPLCKOST-JTQLQIEISA-N 0 1 274.389 3.577 20 0 CHADMN CCOc1cc(CN2CC[C@H](C)C2)cc(Cl)c1OC ZINC000092471168 1119562936 /nfs/dbraw/zinc/56/29/36/1119562936.db2.gz BQNHVZLCCRSXBB-NSHDSACASA-N 0 1 283.799 3.589 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2ccc(Cl)o2)CC1 ZINC000093316597 1119568579 /nfs/dbraw/zinc/56/85/79/1119568579.db2.gz JLICKHYJUXEFNF-GFCCVEGCSA-N 0 1 271.788 3.714 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1ncccc1C(F)(F)F ZINC000093102850 1119570143 /nfs/dbraw/zinc/57/01/43/1119570143.db2.gz SJGYJRNLTQQGJN-PHIMTYICSA-N 0 1 272.314 3.863 20 0 CHADMN Fc1cccc(CN2CCC[C@@H](c3ncc[nH]3)C2)c1Cl ZINC000093193723 1119570618 /nfs/dbraw/zinc/57/06/18/1119570618.db2.gz ONZODISOAWSHPW-GFCCVEGCSA-N 0 1 293.773 3.582 20 0 CHADMN CC(C)[C@H]1CN(Cc2cnc(C3CCC3)s2)CCS1 ZINC000093869344 1119572617 /nfs/dbraw/zinc/57/26/17/1119572617.db2.gz YVXYQLZMTDLFHZ-CQSZACIVSA-N 0 1 296.505 3.984 20 0 CHADMN CC[C@@H](NCc1ccc(C)nc1)c1cc(C)ccc1OC ZINC000093398941 1119573570 /nfs/dbraw/zinc/57/35/70/1119573570.db2.gz KADMKJLNQCBDFY-QGZVFWFLSA-N 0 1 284.403 3.948 20 0 CHADMN Cc1ncsc1CN[C@@H](C)c1ccc(C(F)F)nc1 ZINC000657873059 1119588341 /nfs/dbraw/zinc/58/83/41/1119588341.db2.gz KLODBIHSPWEVJE-QMMMGPOBSA-N 0 1 283.347 3.635 20 0 CHADMN CN(Cc1ccccc1Br)C(C)(C)C ZINC000218953785 1119589321 /nfs/dbraw/zinc/58/93/21/1119589321.db2.gz HOHLVIRYFVRCAY-UHFFFAOYSA-N 0 1 256.187 3.679 20 0 CHADMN Cc1nc(CNc2ccc(CN(C)C)c(F)c2)sc1C ZINC000892388553 1119593519 /nfs/dbraw/zinc/59/35/19/1119593519.db2.gz MKKWJXNMVBFPEI-UHFFFAOYSA-N 0 1 293.411 3.573 20 0 CHADMN CC[C@H](N[C@H]1CCCn2nccc21)c1ccc(F)cc1F ZINC000657887747 1119596725 /nfs/dbraw/zinc/59/67/25/1119596725.db2.gz FIGIRRDDEQFFPE-GJZGRUSLSA-N 0 1 291.345 3.737 20 0 CHADMN CC[C@H](O)CN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000171647688 1119602531 /nfs/dbraw/zinc/60/25/31/1119602531.db2.gz BKPCAAVCPZAEGH-SMDDNHRTSA-N 0 1 288.218 3.901 20 0 CHADMN c1ccc(CN(Cc2ccc3cnccc3c2)C2CC2)nc1 ZINC000685466542 1119611557 /nfs/dbraw/zinc/61/15/57/1119611557.db2.gz MNJAUYUIEYYIMX-UHFFFAOYSA-N 0 1 289.382 3.794 20 0 CHADMN CCN(CCc1ccccc1)Cc1cccnc1Cl ZINC000171078315 1119611680 /nfs/dbraw/zinc/61/16/80/1119611680.db2.gz UPHYZOKQTOAVNQ-UHFFFAOYSA-N 0 1 274.795 3.800 20 0 CHADMN C[C@H](CNC1(C(F)F)CCCC1)c1ccccc1 ZINC000685476976 1119613975 /nfs/dbraw/zinc/61/39/75/1119613975.db2.gz DKTCNCZAXJXBTB-GFCCVEGCSA-N 0 1 253.336 3.958 20 0 CHADMN Cc1cccc(OCC[N@H+](C)Cc2ccc(F)c(F)c2)c1 ZINC000302874069 1119618676 /nfs/dbraw/zinc/61/86/76/1119618676.db2.gz BNRYUSOFMCFVCV-UHFFFAOYSA-N 0 1 291.341 3.784 20 0 CHADMN Cc1cccc(OCCN(C)Cc2ccc(F)c(F)c2)c1 ZINC000302874069 1119618678 /nfs/dbraw/zinc/61/86/78/1119618678.db2.gz BNRYUSOFMCFVCV-UHFFFAOYSA-N 0 1 291.341 3.784 20 0 CHADMN CCOC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000093174137 1119618686 /nfs/dbraw/zinc/61/86/86/1119618686.db2.gz MMBJKTHTALMSQZ-GFCCVEGCSA-N 0 1 285.790 3.728 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2cccc(F)c2Cl)C1 ZINC000093174137 1119618687 /nfs/dbraw/zinc/61/86/87/1119618687.db2.gz MMBJKTHTALMSQZ-GFCCVEGCSA-N 0 1 285.790 3.728 20 0 CHADMN Cc1ccccc1[C@@H](CO)N[C@H](C)c1cc2cnccc2o1 ZINC000657899037 1119619620 /nfs/dbraw/zinc/61/96/20/1119619620.db2.gz UGDUHWPDMXHMSF-CZUORRHYSA-N 0 1 296.370 3.520 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000137498314 1119621576 /nfs/dbraw/zinc/62/15/76/1119621576.db2.gz MDAQLUBKSOYPPO-INIZCTEOSA-N 0 1 291.435 3.915 20 0 CHADMN CCCCCC[C@@H](C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000176921987 1119624381 /nfs/dbraw/zinc/62/43/81/1119624381.db2.gz YZUPZCUHFZENDN-CQSZACIVSA-N 0 1 291.439 3.688 20 0 CHADMN Cc1nc(C)c(CN[C@@H](c2ccccc2)C2CCC2)o1 ZINC000685568026 1119632106 /nfs/dbraw/zinc/63/21/06/1119632106.db2.gz QYLZXCFCDMKWQR-KRWDZBQOSA-N 0 1 270.376 3.922 20 0 CHADMN CC(C)(C)c1cc(CN2C3CCCC2CCC3)no1 ZINC000685565196 1119632182 /nfs/dbraw/zinc/63/21/82/1119632182.db2.gz HQZNDDXNKQYISZ-UHFFFAOYSA-N 0 1 262.397 3.879 20 0 CHADMN Cc1cc([C@H](C)NCc2c(C)noc2C)cs1 ZINC000294302175 1119632353 /nfs/dbraw/zinc/63/23/53/1119632353.db2.gz VEONUQMCCIHDFC-VIFPVBQESA-N 0 1 250.367 3.512 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(C(C)(C)C)on2)[C@H]1C ZINC000685565053 1119632358 /nfs/dbraw/zinc/63/23/58/1119632358.db2.gz BBIAYSPCBZHQFY-NEPJUHHUSA-N 0 1 250.386 3.593 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@@H]2CC(=O)c2ccccc2)o1 ZINC000685568617 1119632663 /nfs/dbraw/zinc/63/26/63/1119632663.db2.gz DWAWZEWWNGQCEY-MRXNPFEDSA-N 0 1 298.386 3.529 20 0 CHADMN COc1ccc([C@@H](NCc2oc(C)nc2C)C(C)C)cc1 ZINC000685570804 1119633400 /nfs/dbraw/zinc/63/34/00/1119633400.db2.gz FWPRRCGOWKCPRM-KRWDZBQOSA-N 0 1 288.391 3.787 20 0 CHADMN CC[C@@H]1CCC[C@@H](N[C@@H](C)c2csnn2)CC1 ZINC000398222674 1119636720 /nfs/dbraw/zinc/63/67/20/1119636720.db2.gz DQMXPUVOOCJXJV-QJPTWQEYSA-N 0 1 253.415 3.548 20 0 CHADMN Cc1cc(CN2C[C@H]3[C@H](CF)[C@H]3C2)cc(C(F)(F)F)c1 ZINC001143459006 1119637931 /nfs/dbraw/zinc/63/79/31/1119637931.db2.gz SCJOTPVBIHOERJ-ZSOGYDGISA-N 0 1 287.300 3.661 20 0 CHADMN Cc1cn[nH]c1CN[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000685618032 1119639042 /nfs/dbraw/zinc/63/90/42/1119639042.db2.gz OZTKVBOGUPVFOA-SFHVURJKSA-N 0 1 295.361 3.736 20 0 CHADMN C[C@@H](NCc1ccccc1CO)c1nccc2ccccc21 ZINC000685646004 1119644002 /nfs/dbraw/zinc/64/40/02/1119644002.db2.gz KBDXMFBRRPVHRQ-CQSZACIVSA-N 0 1 292.382 3.578 20 0 CHADMN Clc1ccc(C2(N[C@@H]3CCCn4nccc43)CC2)cc1 ZINC000657946041 1119649805 /nfs/dbraw/zinc/64/98/05/1119649805.db2.gz ULQVYQAUXDZFIM-CQSZACIVSA-N 0 1 287.794 3.650 20 0 CHADMN Cc1noc(C)c1CNCc1ccccc1C(C)C ZINC000782540669 1119652385 /nfs/dbraw/zinc/65/23/85/1119652385.db2.gz YHTDTMQQUYSYTM-UHFFFAOYSA-N 0 1 258.365 3.705 20 0 CHADMN Cc1nc(C)c(CNCc2csc3ccccc23)o1 ZINC000311648890 1119657050 /nfs/dbraw/zinc/65/70/50/1119657050.db2.gz BPXXPVGOCLJSJJ-UHFFFAOYSA-N 0 1 272.373 3.796 20 0 CHADMN Cc1oc2ccccc2c1CN[C@@H]1CCCn2nccc21 ZINC000657981025 1119659553 /nfs/dbraw/zinc/65/95/53/1119659553.db2.gz YQUVEZWVLMFADH-OAHLLOKOSA-N 0 1 281.359 3.562 20 0 CHADMN CC(C)[C@@H]1CN(Cc2cnc(C3CC3)s2)CCS1 ZINC000093869341 1119660462 /nfs/dbraw/zinc/66/04/62/1119660462.db2.gz REQXBGIBWJVTBN-ZDUSSCGKSA-N 0 1 282.478 3.594 20 0 CHADMN Cc1ccncc1CN[C@H](C)c1ccc(C(F)F)nc1 ZINC000658030667 1119666765 /nfs/dbraw/zinc/66/67/65/1119666765.db2.gz UNPGBLMPGHIKHV-LLVKDONJSA-N 0 1 277.318 3.573 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccc(C(F)F)nc1 ZINC000658034860 1119671898 /nfs/dbraw/zinc/67/18/98/1119671898.db2.gz LQCZEANMVMZXAH-YUSALJHKSA-N 0 1 272.314 3.951 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccnc2N2CCCC2)cc1 ZINC000658102636 1119685457 /nfs/dbraw/zinc/68/54/57/1119685457.db2.gz ZMCVUETUCQWCMX-INIZCTEOSA-N 0 1 295.430 3.841 20 0 CHADMN C[C@@H](NCc1cccnc1N1CCCC1)c1ccc(F)cc1 ZINC000658101121 1119685474 /nfs/dbraw/zinc/68/54/74/1119685474.db2.gz NCNWXGTVDHYLPH-CQSZACIVSA-N 0 1 299.393 3.672 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccc3occc3c2)c(C)n1 ZINC000658118994 1119687656 /nfs/dbraw/zinc/68/76/56/1119687656.db2.gz JGZPLQLXGYTINW-NSHDSACASA-N 0 1 281.359 3.690 20 0 CHADMN CC[C@H](C)CCN[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000658122235 1119688271 /nfs/dbraw/zinc/68/82/71/1119688271.db2.gz SHYWCEHUQYZMLI-SUMWQHHRSA-N 0 1 287.382 3.731 20 0 CHADMN C[C@@H](NC[C@H](OC1CCCC1)C(F)(F)F)c1ccoc1 ZINC000658123410 1119689245 /nfs/dbraw/zinc/68/92/45/1119689245.db2.gz JHTYXLCJQTUWQH-MFKMUULPSA-N 0 1 291.313 3.820 20 0 CHADMN CCC[C@@H](NC/C=C\CO)c1ccc(Cl)cc1Cl ZINC000658140433 1119692093 /nfs/dbraw/zinc/69/20/93/1119692093.db2.gz RTXVANHTJGPOTH-VQTKUKTRSA-N 0 1 288.218 3.973 20 0 CHADMN CC(C)[C@@H](N[C@H]1CCCn2nccc21)c1ccccc1F ZINC000658168327 1119695972 /nfs/dbraw/zinc/69/59/72/1119695972.db2.gz SOAFTHWIHHBJOP-DOTOQJQBSA-N 0 1 287.382 3.844 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1cnn(C)c1)c1ccccc1F ZINC000658167241 1119696168 /nfs/dbraw/zinc/69/61/68/1119696168.db2.gz NYRUCVPOVJTBPU-WBMJQRKESA-N 0 1 275.371 3.607 20 0 CHADMN Fc1ccc([C@@H](NCCCC2CCC2)c2cnccn2)cc1 ZINC000658221829 1119704628 /nfs/dbraw/zinc/70/46/28/1119704628.db2.gz MEWQPRBOGAECEF-GOSISDBHSA-N 0 1 299.393 3.875 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCc3ccc(O)cc32)c(C)o1 ZINC000658236284 1119709728 /nfs/dbraw/zinc/70/97/28/1119709728.db2.gz ICHFKEQCGPRUSY-DIFFPNOSSA-N 0 1 271.360 3.940 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H]1CCCn3ccnc31)[C@H](C)C2 ZINC000658243155 1119710882 /nfs/dbraw/zinc/71/08/82/1119710882.db2.gz BPDWHYIQHGXVJB-COXVUDFISA-N 0 1 281.403 3.550 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)no1 ZINC000658255915 1119714662 /nfs/dbraw/zinc/71/46/62/1119714662.db2.gz WUFUFKUQBIIRBY-NWANDNLSSA-N 0 1 292.423 3.760 20 0 CHADMN C[C@H](NCc1c(C2CCC2)cnn1C)c1ccsc1 ZINC000658269614 1119715948 /nfs/dbraw/zinc/71/59/48/1119715948.db2.gz WTAUPBYOOKQJGC-NSHDSACASA-N 0 1 275.421 3.600 20 0 CHADMN CC[C@@H](NCC(F)(F)c1ccccc1C)C1CCOCC1 ZINC000658315834 1119722269 /nfs/dbraw/zinc/72/22/69/1119722269.db2.gz WKJPMTQJNMQOMU-MRXNPFEDSA-N 0 1 297.389 3.882 20 0 CHADMN COc1cccc(C2(N[C@H](C)c3cncnc3C)CCC2)c1 ZINC000658322611 1119723245 /nfs/dbraw/zinc/72/32/45/1119723245.db2.gz AGYWUBBSCFCXHQ-CQSZACIVSA-N 0 1 297.402 3.524 20 0 CHADMN CC1(C)OCC[C@H]1CN[C@@H](CCc1ccccc1)C(F)F ZINC000658333493 1119725510 /nfs/dbraw/zinc/72/55/10/1119725510.db2.gz YACXTNIOOQBQQX-GJZGRUSLSA-N 0 1 297.389 3.658 20 0 CHADMN C[C@@H](NCC(F)(F)C(C)(C)C)C1CCSCC1 ZINC000658336422 1119726164 /nfs/dbraw/zinc/72/61/64/1119726164.db2.gz DPLKYZWMUQXUSC-SNVBAGLBSA-N 0 1 265.413 3.789 20 0 CHADMN O[C@H]1C[C@H](N[C@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000658349568 1119729621 /nfs/dbraw/zinc/72/96/21/1119729621.db2.gz KJVSCSZXXLOLGE-ZKWXMUAHSA-N 0 1 292.231 3.545 20 0 CHADMN Cc1cc(CNCc2cccc(F)c2F)cs1 ZINC000381128355 1128865074 /nfs/dbraw/zinc/86/50/74/1128865074.db2.gz GPPLQINRXKXRFJ-UHFFFAOYSA-N 0 1 253.317 3.625 20 0 CHADMN C[C@H](O)[C@@H](N[C@@H](C)c1ccc(Cl)cn1)c1ccccc1 ZINC000658363446 1119732144 /nfs/dbraw/zinc/73/21/44/1119732144.db2.gz VQYPTQUOZVKJIS-MQIPJXDCSA-N 0 1 290.794 3.508 20 0 CHADMN Cc1cc(F)ncc1CNCc1cccc(C(F)(F)F)c1 ZINC000892434277 1119733095 /nfs/dbraw/zinc/73/30/95/1119733095.db2.gz HHDNHKYEDCJTHZ-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N1CCC[C@H](CO)CC1 ZINC000339751766 1119735461 /nfs/dbraw/zinc/73/54/61/1119735461.db2.gz TWHMLNPJQDQCEK-RYUDHWBXSA-N 0 1 285.790 3.635 20 0 CHADMN Cc1ncsc1CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000191662189 1119740998 /nfs/dbraw/zinc/74/09/98/1119740998.db2.gz LKDFHLZCRZKUTA-NSHDSACASA-N 0 1 292.370 3.862 20 0 CHADMN COc1ccc([C@H](C)NCc2cnc(F)cc2C)cc1F ZINC000892462187 1119745696 /nfs/dbraw/zinc/74/56/96/1119745696.db2.gz LTKFEECAIYJQPC-NSHDSACASA-N 0 1 292.329 3.528 20 0 CHADMN COc1ccc([C@H](C)NCc2cnc(F)c(C)c2)cc1F ZINC000892462460 1119745858 /nfs/dbraw/zinc/74/58/58/1119745858.db2.gz PGRBJUKPRAOUEZ-NSHDSACASA-N 0 1 292.329 3.528 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cnc(C)o2)cc1 ZINC000628227757 1119754372 /nfs/dbraw/zinc/75/43/72/1119754372.db2.gz QTURPAOJZGZJBU-UHFFFAOYSA-N 0 1 258.365 3.570 20 0 CHADMN Cc1cc(CNCc2ccc(C(F)(F)F)cc2)cnc1F ZINC000892473445 1119754427 /nfs/dbraw/zinc/75/44/27/1119754427.db2.gz LAXALSACLMUINE-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Cc1cnc(CSc2nc3ccc(C)cc3[nH]2)s1 ZINC000179731166 1119759161 /nfs/dbraw/zinc/75/91/61/1119759161.db2.gz PKLFXMSZZGLJQK-UHFFFAOYSA-N 0 1 275.402 3.929 20 0 CHADMN Cc1cc(NC(=O)c2c(O)cccc2Cl)ccc1F ZINC000728608653 1119761890 /nfs/dbraw/zinc/76/18/90/1119761890.db2.gz MTNVVNMTYYVJDN-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN COc1ccncc1CSc1nc2ccc(C)cc2[nH]1 ZINC000343814070 1119762799 /nfs/dbraw/zinc/76/27/99/1119762799.db2.gz SBUKBRNNGVVQGO-UHFFFAOYSA-N 0 1 285.372 3.567 20 0 CHADMN Cn1ccnc1CN[C@H](CC(C)(C)C)c1ccccc1 ZINC000051923126 1119764141 /nfs/dbraw/zinc/76/41/41/1119764141.db2.gz VGOOAMGCTSSKNJ-OAHLLOKOSA-N 0 1 271.408 3.687 20 0 CHADMN Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc(F)cc1C ZINC000375845446 1119767182 /nfs/dbraw/zinc/76/71/82/1119767182.db2.gz GTETYCXQGDAWGL-KRWDZBQOSA-N 0 1 287.382 3.513 20 0 CHADMN CCOc1ccc(CN[C@@H](c2cccs2)C2CC2)o1 ZINC000892488815 1119777808 /nfs/dbraw/zinc/77/78/08/1119777808.db2.gz XGNSFPABAMNBNK-OAHLLOKOSA-N 0 1 277.389 3.981 20 0 CHADMN Clc1ccnc2c1CC[C@@H]2NCc1ccccc1 ZINC000924542476 1119784563 /nfs/dbraw/zinc/78/45/63/1119784563.db2.gz MCUFGZSOFNQMSQ-AWEZNQCLSA-N 0 1 258.752 3.512 20 0 CHADMN Cc1ccc2oc(CNCc3ccc(O)c(F)c3)cc2c1 ZINC000152294240 1119787561 /nfs/dbraw/zinc/78/75/61/1119787561.db2.gz YSLZCEOXIAYXGN-UHFFFAOYSA-N 0 1 285.318 3.876 20 0 CHADMN COc1ccc2ccc([O-])c(C[N@H+](C)CC(C)C)c2c1 ZINC000065943635 1119791277 /nfs/dbraw/zinc/79/12/77/1119791277.db2.gz BBZNCECSSWJVQP-UHFFFAOYSA-N 0 1 273.376 3.642 20 0 CHADMN COc1ccc2ccc([O-])c(C[N@@H+](C)CC(C)C)c2c1 ZINC000065943635 1119791280 /nfs/dbraw/zinc/79/12/80/1119791280.db2.gz BBZNCECSSWJVQP-UHFFFAOYSA-N 0 1 273.376 3.642 20 0 CHADMN CCOc1cc(F)cc(CNCc2ccc(F)c(F)c2)c1 ZINC001648924421 1119797231 /nfs/dbraw/zinc/79/72/31/1119797231.db2.gz DYQCJQRIWRGXSF-UHFFFAOYSA-N 0 1 295.304 3.792 20 0 CHADMN CCc1ccc(N2CCN([C@H](C)c3ccccn3)CC2)cc1 ZINC000177355286 1119798948 /nfs/dbraw/zinc/79/89/48/1119798948.db2.gz MRYDXJHVTIXEAW-MRXNPFEDSA-N 0 1 295.430 3.527 20 0 CHADMN CCC(C)(C)[C@H]1CCCN1Cc1nnc(C(C)C)o1 ZINC000156836739 1119800042 /nfs/dbraw/zinc/80/00/42/1119800042.db2.gz JPRPMZTXKPKBOE-GFCCVEGCSA-N 0 1 265.401 3.594 20 0 CHADMN COc1ccc(CNCc2ccccc2COC(C)C)o1 ZINC000892505886 1119805154 /nfs/dbraw/zinc/80/51/54/1119805154.db2.gz NGGODWHPWOEDTG-UHFFFAOYSA-N 0 1 289.375 3.503 20 0 CHADMN Oc1cc(F)cc(C[N@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC000708767569 1119807452 /nfs/dbraw/zinc/80/74/52/1119807452.db2.gz ULESBCGSQGPWPZ-HNNXBMFYSA-N 0 1 277.383 3.934 20 0 CHADMN c1ccc2c(c1)CCC[C@@H]2CNCc1nnc(C2CC2)s1 ZINC000892506301 1119807484 /nfs/dbraw/zinc/80/74/84/1119807484.db2.gz BAKBSJRMZABISK-CQSZACIVSA-N 0 1 299.443 3.625 20 0 CHADMN CCC(O)(CC)C(C)(C)CN[C@H]1CCCc2oc(C)nc21 ZINC000926687391 1119810128 /nfs/dbraw/zinc/81/01/28/1119810128.db2.gz VKMJSDKHJBRYCY-ZDUSSCGKSA-N 0 1 294.439 3.527 20 0 CHADMN CCC[C@H](NCCSC)c1ncccc1Cl ZINC000924553508 1119814096 /nfs/dbraw/zinc/81/40/96/1119814096.db2.gz UNODYYVECNIBBK-NSHDSACASA-N 0 1 258.818 3.529 20 0 CHADMN CCN(CC(C)(C)C)C(=O)c1ccc(O)c(Cl)c1 ZINC000291201718 1119815126 /nfs/dbraw/zinc/81/51/26/1119815126.db2.gz NCZJPURGZZKABP-UHFFFAOYSA-N 0 1 269.772 3.554 20 0 CHADMN Cc1cc(CN(C)C[C@@H](C)C2CCCCC2)no1 ZINC000570413734 1119829549 /nfs/dbraw/zinc/82/95/49/1119829549.db2.gz GRUWKWCEPZYYLE-GFCCVEGCSA-N 0 1 250.386 3.631 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@@H]1COc3ccc(C)cc31)CC2 ZINC000376153072 1119848024 /nfs/dbraw/zinc/84/80/24/1119848024.db2.gz UWHGSJPZRJAYDA-QZTJIDSGSA-N 0 1 295.382 3.714 20 0 CHADMN OCC[C@H](N[C@H]1CCc2c1cccc2Cl)c1ccco1 ZINC000545279523 1119849355 /nfs/dbraw/zinc/84/93/55/1119849355.db2.gz BWBRMRJVOCXRJP-GJZGRUSLSA-N 0 1 291.778 3.634 20 0 CHADMN Cc1cn[nH]c1C[N@@H+]1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC000685837880 1119856893 /nfs/dbraw/zinc/85/68/93/1119856893.db2.gz VDFDANZNGYUFNL-KDOFPFPSSA-N 0 1 283.419 4.000 20 0 CHADMN Cc1c[nH]nc1CN1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC000685837880 1119856897 /nfs/dbraw/zinc/85/68/97/1119856897.db2.gz VDFDANZNGYUFNL-KDOFPFPSSA-N 0 1 283.419 4.000 20 0 CHADMN CC1(C2CC2)CCN(Cc2nc3c(s2)CCC3)CC1 ZINC000685850224 1119872177 /nfs/dbraw/zinc/87/21/77/1119872177.db2.gz YDCGYCGQXJREOY-UHFFFAOYSA-N 0 1 276.449 3.644 20 0 CHADMN CCc1ccc(CN2CC3(CCC3(F)F)C2)s1 ZINC000685850522 1119872583 /nfs/dbraw/zinc/87/25/83/1119872583.db2.gz HDEDNUKFANEHMV-UHFFFAOYSA-N 0 1 257.349 3.542 20 0 CHADMN C[C@@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccn(C)n1 ZINC000414066442 1119877334 /nfs/dbraw/zinc/87/73/34/1119877334.db2.gz PKUZRVQEPBEKHL-BZNIZROVSA-N 0 1 289.810 3.875 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1cc2n(n1)CCC2)c1ccccc1 ZINC000414066150 1119879785 /nfs/dbraw/zinc/87/97/85/1119879785.db2.gz PIBHTXJCQKGJCW-KSSFIOAISA-N 0 1 283.419 3.877 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000157713303 1119894624 /nfs/dbraw/zinc/89/46/24/1119894624.db2.gz VGIHXNZAOLDTJD-NSHDSACASA-N 0 1 250.411 3.643 20 0 CHADMN Fc1c(Cl)cccc1CNc1ccc2c[nH]nc2c1 ZINC000166726763 1119898280 /nfs/dbraw/zinc/89/82/80/1119898280.db2.gz ZOMLMAATNIDBLR-UHFFFAOYSA-N 0 1 275.714 3.968 20 0 CHADMN C[C@H](N[C@H]1CCCOC1)c1csc(-c2ccccc2)n1 ZINC000414111982 1119903604 /nfs/dbraw/zinc/90/36/04/1119903604.db2.gz JNCURTKGRZTHEQ-JSGCOSHPSA-N 0 1 288.416 3.640 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2CCC[C@H]1C)c1ccn(C)n1 ZINC000414132999 1119910593 /nfs/dbraw/zinc/91/05/93/1119910593.db2.gz NATWTAYPGKQVNR-GLJUWKHASA-N 0 1 283.419 3.784 20 0 CHADMN Cc1ccc(SC[C@H](C)N[C@H](C)c2ccn(C)n2)cc1 ZINC000414131571 1119911446 /nfs/dbraw/zinc/91/14/46/1119911446.db2.gz LENGKEVNKMLLFK-UONOGXRCSA-N 0 1 289.448 3.560 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2CCC[C@@H]1C)c1ccn(C)n1 ZINC000414133454 1119912297 /nfs/dbraw/zinc/91/22/97/1119912297.db2.gz NATWTAYPGKQVNR-SUNYJGFJSA-N 0 1 283.419 3.784 20 0 CHADMN CO[C@H](C)[C@@H](C)N[C@H](C)c1csc(-c2ccccc2)n1 ZINC000414137716 1119913555 /nfs/dbraw/zinc/91/35/55/1119913555.db2.gz GGRWSVFAFUTUOO-JHJVBQTASA-N 0 1 290.432 3.884 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1C2CCC1CC2 ZINC000613402881 1119915005 /nfs/dbraw/zinc/91/50/05/1119915005.db2.gz LZBHJNUOQLWOQT-PNESKVBLSA-N 0 1 292.810 3.602 20 0 CHADMN C[C@@H](N[C@H](CO)c1c(Cl)cccc1Cl)[C@H]1C[C@H]1C ZINC000414152483 1119918564 /nfs/dbraw/zinc/91/85/64/1119918564.db2.gz QISVNJGERLJXEL-ORXSELOVSA-N 0 1 288.218 3.661 20 0 CHADMN C[C@@H](N[C@@H](CO)c1c(Cl)cccc1Cl)[C@H]1C[C@H]1C ZINC000414152477 1119918683 /nfs/dbraw/zinc/91/86/83/1119918683.db2.gz QISVNJGERLJXEL-DNJQJEMRSA-N 0 1 288.218 3.661 20 0 CHADMN CO[C@H](CNCc1c(Cl)cccc1Cl)C(C)C ZINC000381790565 1119919686 /nfs/dbraw/zinc/91/96/86/1119919686.db2.gz NHIDHULAACKHFI-CYBMUJFWSA-N 0 1 276.207 3.754 20 0 CHADMN C[C@H](N[C@H]1CCCc2c3ccccc3[nH]c21)c1ccn(C)n1 ZINC000414191403 1119932201 /nfs/dbraw/zinc/93/22/01/1119932201.db2.gz SLIGQZWNWGTRJH-SJCJKPOMSA-N 0 1 294.402 3.630 20 0 CHADMN [O-]c1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)ccc1F ZINC001236705348 1128879078 /nfs/dbraw/zinc/87/90/78/1128879078.db2.gz LDNKWHPYIHLDDR-ZFWWWQNUSA-N 0 1 263.356 3.686 20 0 CHADMN [O-]c1cc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)ccc1F ZINC001236705348 1128879087 /nfs/dbraw/zinc/87/90/87/1128879087.db2.gz LDNKWHPYIHLDDR-ZFWWWQNUSA-N 0 1 263.356 3.686 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccn(C)n2)c2ccccc12 ZINC000414211896 1119941017 /nfs/dbraw/zinc/94/10/17/1119941017.db2.gz PTWIJIOUOTXXAV-CQSZACIVSA-N 0 1 279.387 3.733 20 0 CHADMN CCc1ccc([C@@H](NCc2ccn(CC)n2)C(C)C)cc1 ZINC000414214800 1119942291 /nfs/dbraw/zinc/94/22/91/1119942291.db2.gz WWAMKDXZUVAPAG-SFHVURJKSA-N 0 1 285.435 3.952 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1cnccc1C(C)(C)C ZINC000414235286 1119951021 /nfs/dbraw/zinc/95/10/21/1119951021.db2.gz UDXIVXDITLZAMF-CQSZACIVSA-N 0 1 283.419 3.933 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1cnccc1C(C)(C)C ZINC000414235285 1119951110 /nfs/dbraw/zinc/95/11/10/1119951110.db2.gz UDXIVXDITLZAMF-AWEZNQCLSA-N 0 1 283.419 3.933 20 0 CHADMN CC(C)CCC[C@@H](C)NCc1nccc(C(F)(F)F)n1 ZINC000414254467 1119957390 /nfs/dbraw/zinc/95/73/90/1119957390.db2.gz MIJOKKXTDZUWRN-LLVKDONJSA-N 0 1 289.345 3.800 20 0 CHADMN CCOc1ccc(CN2CCC[C@H]2c2cccs2)nc1 ZINC000083595774 1119960949 /nfs/dbraw/zinc/96/09/49/1119960949.db2.gz MERXBJNCLBMBCH-HNNXBMFYSA-N 0 1 288.416 3.879 20 0 CHADMN CSc1ccccc1C[C@@H](C)N[C@H](C)c1csnn1 ZINC000414293448 1119969280 /nfs/dbraw/zinc/96/92/80/1119969280.db2.gz CTEFGUYGKHKMKB-GHMZBOCLSA-N 0 1 293.461 3.542 20 0 CHADMN CC[C@@H](c1ccc(Br)cc1)N1CC[C@H](OC)C1 ZINC000472577780 1119971157 /nfs/dbraw/zinc/97/11/57/1119971157.db2.gz CMQYPCATLGHDGZ-KBPBESRZSA-N 0 1 298.224 3.621 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@@H]1CCCC[C@H]1F ZINC000414298668 1119972036 /nfs/dbraw/zinc/97/20/36/1119972036.db2.gz ZGKHTJDZVCFAEX-MRVWCRGKSA-N 0 1 250.361 3.575 20 0 CHADMN CC[C@@H](N[C@H](C)c1csnn1)C1CCCCC1 ZINC000414301349 1119972228 /nfs/dbraw/zinc/97/22/28/1119972228.db2.gz LSSKUVFGAQZZJC-ZYHUDNBSSA-N 0 1 253.415 3.548 20 0 CHADMN Cc1cccc([C@H](N[C@H](C)c2cn(C)cn2)C(C)C)c1 ZINC000926763106 1119972360 /nfs/dbraw/zinc/97/23/60/1119972360.db2.gz SGINBCWFKMSYTC-RHSMWYFYSA-N 0 1 271.408 3.776 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N[C@H](C)c1csnn1 ZINC000414304609 1119975079 /nfs/dbraw/zinc/97/50/79/1119975079.db2.gz OZHKYVQGQJSUMP-OCCSQVGLSA-N 0 1 275.421 3.518 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3c(C)ccc(C)c32)on1 ZINC000186153936 1119979640 /nfs/dbraw/zinc/97/96/40/1119979640.db2.gz XUSWSARTAUWWMK-MRXNPFEDSA-N 0 1 270.376 3.767 20 0 CHADMN Cc1occc1CNCc1cccc(OCC(F)F)c1 ZINC000414320110 1119981784 /nfs/dbraw/zinc/98/17/84/1119981784.db2.gz AAUUREUOYXVWHF-UHFFFAOYSA-N 0 1 281.302 3.522 20 0 CHADMN C[C@H](CCC(C)(C)C)NCc1nnc(C2CC2)s1 ZINC000414335015 1119988777 /nfs/dbraw/zinc/98/87/77/1119988777.db2.gz XPOFMVOIYZKVPX-SNVBAGLBSA-N 0 1 267.442 3.720 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cc(C)cc(C)c2)nc1 ZINC000134299056 1119989116 /nfs/dbraw/zinc/98/91/16/1119989116.db2.gz PDYZNXFGAZHFAI-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN COc1ccc(CN2CCC[C@H]2C)c(C(F)(F)F)c1 ZINC001143471694 1119990421 /nfs/dbraw/zinc/99/04/21/1119990421.db2.gz KTTXZYNLBKEAAV-SNVBAGLBSA-N 0 1 273.298 3.698 20 0 CHADMN c1coc([C@@H]2CN(CCC3CCCCC3)CCO2)c1 ZINC000472590701 1119990583 /nfs/dbraw/zinc/99/05/83/1119990583.db2.gz RGUQGAJPLQYTIR-INIZCTEOSA-N 0 1 263.381 3.623 20 0 CHADMN ClC1(Cl)C[C@H]1CNCc1coc(-c2ccccc2)n1 ZINC000779340215 1128883051 /nfs/dbraw/zinc/88/30/51/1128883051.db2.gz HNUCZULLCIPHPO-NSHDSACASA-N 0 1 297.185 3.625 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(C)oc2C)cc1F ZINC000163285862 1120010784 /nfs/dbraw/zinc/01/07/84/1120010784.db2.gz TWUHLDSPQXYPCU-NSHDSACASA-N 0 1 277.339 3.895 20 0 CHADMN CC/C=C\CCN(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000342231713 1120012655 /nfs/dbraw/zinc/01/26/55/1120012655.db2.gz MQOXKFSJJKUQTB-FPLPWBNLSA-N 0 1 288.435 3.838 20 0 CHADMN CCc1ncc(CN2C[C@@H](C)C[C@H]2c2cccc(F)c2)cn1 ZINC000414392898 1120016316 /nfs/dbraw/zinc/01/63/16/1120016316.db2.gz HBRHGQFCMBQBQY-GUYCJALGSA-N 0 1 299.393 3.761 20 0 CHADMN COc1ccccc1CNCc1csc(C)c1C ZINC000399907808 1120022579 /nfs/dbraw/zinc/02/25/79/1120022579.db2.gz GIPIVWQRNCMWKW-UHFFFAOYSA-N 0 1 261.390 3.663 20 0 CHADMN C[C@@H](NCc1cccc(Br)n1)c1ccsc1 ZINC000164225272 1120029722 /nfs/dbraw/zinc/02/97/22/1120029722.db2.gz YWQITUOAMBOCPP-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN FC(F)(F)c1nc2ccc(-c3cccnc3)cc2[nH]1 ZINC001239569519 1120031540 /nfs/dbraw/zinc/03/15/40/1120031540.db2.gz SRJQGKYITXHSDP-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN CN(Cc1sccc1Br)C(C)(C)C ZINC000307709464 1120032495 /nfs/dbraw/zinc/03/24/95/1120032495.db2.gz MJUYPQOQXFLMDL-UHFFFAOYSA-N 0 1 262.216 3.741 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CN1CC(=O)Nc1ccccc1 ZINC000115556209 1120043572 /nfs/dbraw/zinc/04/35/72/1120043572.db2.gz VDOVKRRRIFLGJV-RDJZCZTQSA-N 0 1 294.398 3.503 20 0 CHADMN Brc1cccc(CN2CCC[C@@H]3CCC[C@H]32)n1 ZINC000272451996 1120044424 /nfs/dbraw/zinc/04/44/24/1120044424.db2.gz WEBSYZVMGWDVEM-WCQYABFASA-N 0 1 295.224 3.609 20 0 CHADMN Fc1ccc(CNCc2cnn(C3CCC3)c2)cc1Cl ZINC000921652042 1120053612 /nfs/dbraw/zinc/05/36/12/1120053612.db2.gz OQZRHULSLUHVLC-UHFFFAOYSA-N 0 1 293.773 3.690 20 0 CHADMN CC[C@H](C[C@](C)(O)CC)N[C@@H](CF)c1ccc(F)cc1 ZINC000926809675 1120056558 /nfs/dbraw/zinc/05/65/58/1120056558.db2.gz OIJRMFWDASYYEW-OWCLPIDISA-N 0 1 285.378 3.756 20 0 CHADMN CCc1cccc(OCCN2CCOc3ccccc3C2)c1 ZINC000613565420 1120063938 /nfs/dbraw/zinc/06/39/38/1120063938.db2.gz QAPSOJFCTAIYPE-UHFFFAOYSA-N 0 1 297.398 3.522 20 0 CHADMN Cc1cc(CN[C@H]2CSCc3ccccc32)cnc1F ZINC000892682706 1120069891 /nfs/dbraw/zinc/06/98/91/1120069891.db2.gz CWDALCSIMVGQGY-HNNXBMFYSA-N 0 1 288.391 3.607 20 0 CHADMN C[C@H](N[C@H]1CC1(C)C)c1nc(C(F)(F)F)cs1 ZINC000343839380 1120120126 /nfs/dbraw/zinc/12/01/26/1120120126.db2.gz MWBJOVJCQLIAKT-BQBZGAKWSA-N 0 1 264.316 3.611 20 0 CHADMN COCc1cccc(CN[C@@H](C)c2cc(C)c(C)o2)c1 ZINC000282278588 1120075670 /nfs/dbraw/zinc/07/56/70/1120075670.db2.gz RPHCSHWFVBRCQL-ZDUSSCGKSA-N 0 1 273.376 3.894 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000178755497 1120081600 /nfs/dbraw/zinc/08/16/00/1120081600.db2.gz UDGZRYUYOYAYSU-CQSZACIVSA-N 0 1 296.414 3.820 20 0 CHADMN Clc1cc(CNC[C@H]2CCC=CO2)c(Cl)s1 ZINC000309474851 1120084244 /nfs/dbraw/zinc/08/42/44/1120084244.db2.gz BQCTUOCLPUJNOQ-SECBINFHSA-N 0 1 278.204 3.837 20 0 CHADMN Cc1cccc2nc(CCC(=O)Nc3ccccc3F)[nH]c21 ZINC000178852451 1120086878 /nfs/dbraw/zinc/08/68/78/1120086878.db2.gz YPUBWUPZYMROFH-UHFFFAOYSA-N 0 1 297.333 3.582 20 0 CHADMN CCOCOc1ccc(CNCc2ccc(Cl)o2)cc1 ZINC000782950457 1120088504 /nfs/dbraw/zinc/08/85/04/1120088504.db2.gz OGYZNPRPALGZHM-UHFFFAOYSA-N 0 1 295.766 3.596 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1nc(C2CCCC2)no1 ZINC000179520380 1120093291 /nfs/dbraw/zinc/09/32/91/1120093291.db2.gz OGFAEOMUCBZVBR-CQSZACIVSA-N 0 1 277.412 3.882 20 0 CHADMN CC(C)=CCO[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001205025600 1120094655 /nfs/dbraw/zinc/09/46/55/1120094655.db2.gz MDJRHDSNAIKXOT-INIZCTEOSA-N 0 1 277.383 3.773 20 0 CHADMN CC(C)c1cc(=O)n(-c2ccc(Cl)cc2Cl)[nH]1 ZINC000100863755 1120098213 /nfs/dbraw/zinc/09/82/13/1120098213.db2.gz KWPUOINSBVDSCW-UHFFFAOYSA-N 0 1 271.147 3.742 20 0 CHADMN CC[C@H](N[C@H](C)c1nc(C)sc1C)[C@H]1CCCCO1 ZINC000655848680 1120104040 /nfs/dbraw/zinc/10/40/40/1120104040.db2.gz JRPDDJQWWUIVIC-DDTOSNHZSA-N 0 1 282.453 3.758 20 0 CHADMN CCC[C@H](NCc1cccc2c1OCC2)c1ccccn1 ZINC000921683227 1120107800 /nfs/dbraw/zinc/10/78/00/1120107800.db2.gz GGRRVNYFTCYPHI-INIZCTEOSA-N 0 1 282.387 3.648 20 0 CHADMN CCCc1ccc(CNc2ccc3nc(C)[nH]c3n2)cc1 ZINC001168635390 1120111137 /nfs/dbraw/zinc/11/11/37/1120111137.db2.gz KGDPQPKOJOIMJI-UHFFFAOYSA-N 0 1 280.375 3.831 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](C/C=C/c1ccc(Cl)cc1)C1CCC1 ZINC000659794992 1120111918 /nfs/dbraw/zinc/11/19/18/1120111918.db2.gz CXBPMXMLUOPJTN-AAOUONPWSA-N 0 1 293.794 3.681 20 0 CHADMN CC[C@H](C)[N@@H+](CCC1CCCCCC1)CC(=O)[O-] ZINC000394537031 1120112043 /nfs/dbraw/zinc/11/20/43/1120112043.db2.gz PJSBZDAZTLIJCK-ZDUSSCGKSA-N 0 1 255.402 3.532 20 0 CHADMN O=C([O-])[C@@H]1C[N@H+]([C@@H]2C=CCCCCC2)C[C@H]1c1ccccc1 ZINC000659797698 1120112136 /nfs/dbraw/zinc/11/21/36/1120112136.db2.gz VTUWWRWPUWSBLI-FGTMMUONSA-N 0 1 299.414 3.676 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000659803200 1120113077 /nfs/dbraw/zinc/11/30/77/1120113077.db2.gz GBFMZARXSHIUBY-JKSUJKDBSA-N 0 1 281.440 3.922 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000659802249 1120113435 /nfs/dbraw/zinc/11/34/35/1120113435.db2.gz PRCIDMYNEYIKDC-ZDUSSCGKSA-N 0 1 293.432 3.767 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000659799991 1120113607 /nfs/dbraw/zinc/11/36/07/1120113607.db2.gz QMRFSUWOTZIXFP-BQFCYCMXSA-N 0 1 287.403 3.715 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000659804470 1120114587 /nfs/dbraw/zinc/11/45/87/1120114587.db2.gz XMRQQDZALPSTLO-MRXNPFEDSA-N 0 1 281.440 3.924 20 0 CHADMN c1ccc(CN(Cc2cnc3ccccc3n2)C2CC2)cc1 ZINC000659821786 1120118275 /nfs/dbraw/zinc/11/82/75/1120118275.db2.gz FWXGIBHUSDCLBG-UHFFFAOYSA-N 0 1 289.382 3.794 20 0 CHADMN c1sc(C2CC2)nc1CN1CCc2ccccc2CC1 ZINC000135554610 1120126521 /nfs/dbraw/zinc/12/65/21/1120126521.db2.gz CPKSGTMGQUQVHG-UHFFFAOYSA-N 0 1 284.428 3.621 20 0 CHADMN COc1cccc([C@@H](C)NCc2cccc(F)c2F)c1 ZINC000111038725 1120130820 /nfs/dbraw/zinc/13/08/20/1120130820.db2.gz OGOAMEPMCUJOBT-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN C[C@@H](NCCOC1CCCC1)c1cccc(F)c1F ZINC000183244559 1120131761 /nfs/dbraw/zinc/13/17/61/1120131761.db2.gz FPEXZWUPJMXLCD-LLVKDONJSA-N 0 1 269.335 3.575 20 0 CHADMN CCOc1ccc(F)c(F)c1CN1C[C@@H]2CCC[C@H]2C1 ZINC001143486159 1120132991 /nfs/dbraw/zinc/13/29/91/1120132991.db2.gz ZDHCHICEFSQYQH-RYUDHWBXSA-N 0 1 281.346 3.595 20 0 CHADMN CC(C)c1nnc(CNCCc2ccccc2Cl)s1 ZINC000892750267 1120136224 /nfs/dbraw/zinc/13/62/24/1120136224.db2.gz ULLCMVVTWCYLRL-UHFFFAOYSA-N 0 1 295.839 3.647 20 0 CHADMN CCOc1ccc(CNC2(c3ccccc3)CCC2)o1 ZINC000892755481 1120136866 /nfs/dbraw/zinc/13/68/66/1120136866.db2.gz KXBURUMBMMEELF-UHFFFAOYSA-N 0 1 271.360 3.847 20 0 CHADMN COc1ccc(CN(C)C[C@H]2CC2(Cl)Cl)cc1C ZINC000728686377 1120137060 /nfs/dbraw/zinc/13/70/60/1120137060.db2.gz QKSZKZMNTMPTHF-GFCCVEGCSA-N 0 1 288.218 3.629 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2cccc(OCC)c2)o1 ZINC000892756549 1120137331 /nfs/dbraw/zinc/13/73/31/1120137331.db2.gz BLPKLPAUUJZHOL-CYBMUJFWSA-N 0 1 289.375 3.928 20 0 CHADMN COc1ccc(F)cc1CN[C@@H](C)c1sc(C)nc1C ZINC000183630680 1120138330 /nfs/dbraw/zinc/13/83/30/1120138330.db2.gz WZXQWPGEODHNHI-VIFPVBQESA-N 0 1 294.395 3.758 20 0 CHADMN Cc1nonc1[C@@H](C)NC1CCC(c2ccccc2)CC1 ZINC000924603602 1120138971 /nfs/dbraw/zinc/13/89/71/1120138971.db2.gz ULZKJGCMICTALA-UWTIGNOOSA-N 0 1 285.391 3.755 20 0 CHADMN FCCCN[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000542780099 1120145137 /nfs/dbraw/zinc/14/51/37/1120145137.db2.gz JYPGHURSQFDOCY-QGZVFWFLSA-N 0 1 284.334 3.866 20 0 CHADMN C[C@H](NCc1ccc(N(C)C)nc1)c1ccccc1Cl ZINC000112524493 1120147017 /nfs/dbraw/zinc/14/70/17/1120147017.db2.gz LRHXTYZAMZOTMD-LBPRGKRZSA-N 0 1 289.810 3.652 20 0 CHADMN Cc1ccoc1CNCc1cc(Br)ccc1C ZINC000313730721 1120147924 /nfs/dbraw/zinc/14/79/24/1120147924.db2.gz BFNUWFASLJNRSX-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1ccc(C)c(C)n1)CCC2 ZINC000313864857 1120155165 /nfs/dbraw/zinc/15/51/65/1120155165.db2.gz XDGQFSOIORSQAS-IBGZPJMESA-N 0 1 296.414 3.874 20 0 CHADMN Cc1cccc([C@H](C)NCc2cnc(C(C)(C)C)nc2)c1 ZINC000313932881 1120159576 /nfs/dbraw/zinc/15/95/76/1120159576.db2.gz VXJSJQTVLVLCSS-AWEZNQCLSA-N 0 1 283.419 3.933 20 0 CHADMN Fc1cnccc1CNCc1ccc(C2CCC2)cc1 ZINC000449287050 1128895001 /nfs/dbraw/zinc/89/50/01/1128895001.db2.gz VWFLUAMFSWLNMU-UHFFFAOYSA-N 0 1 270.351 3.778 20 0 CHADMN CC1(c2noc(-c3cc(-c4ccco4)n[nH]3)n2)CCCC1 ZINC000624754780 1120161363 /nfs/dbraw/zinc/16/13/63/1120161363.db2.gz QZCGNYCCHUAVFL-UHFFFAOYSA-N 0 1 284.319 3.551 20 0 CHADMN Cc1ncsc1CNCc1ccc(C(F)F)c(F)c1 ZINC000892920979 1120161856 /nfs/dbraw/zinc/16/18/56/1120161856.db2.gz NEUIUUSCBHFTDZ-UHFFFAOYSA-N 0 1 286.322 3.818 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cc(F)c([O-])c(F)c2)C[C@H]1C ZINC001140988028 1120161960 /nfs/dbraw/zinc/16/19/60/1120161960.db2.gz KJTQAQLLSWVFLW-WDEREUQCSA-N 0 1 269.335 3.538 20 0 CHADMN Cc1ccc2nc(S[C@H](C)C3CCOCC3)[nH]c2c1 ZINC000629088261 1128895298 /nfs/dbraw/zinc/89/52/98/1128895298.db2.gz GJYXMDXUMIMKDI-LLVKDONJSA-N 0 1 276.405 3.779 20 0 CHADMN CC/C=C\CNCc1ccsc1Br ZINC000388969854 1120166137 /nfs/dbraw/zinc/16/61/37/1120166137.db2.gz JOGPDEJUYORXGJ-ARJAWSKDSA-N 0 1 260.200 3.566 20 0 CHADMN Cc1ccoc1CN(C)CCCC(=O)c1ccc(F)cc1 ZINC000314048608 1120166820 /nfs/dbraw/zinc/16/68/20/1120166820.db2.gz TUJSUFKSPMZAMB-UHFFFAOYSA-N 0 1 289.350 3.822 20 0 CHADMN CCn1cc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)cn1 ZINC000112095333 1120167799 /nfs/dbraw/zinc/16/77/99/1120167799.db2.gz FCVGGDUTZONNGR-NSHDSACASA-N 0 1 297.324 3.773 20 0 CHADMN CC(C)CCc1nc(CN2CCC[C@H]2C)cs1 ZINC000174415319 1120167989 /nfs/dbraw/zinc/16/79/89/1120167989.db2.gz NTDJZFVSNFDPBU-GFCCVEGCSA-N 0 1 252.427 3.716 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2nc(C)c(C)o2)C1 ZINC000174452354 1120169470 /nfs/dbraw/zinc/16/94/70/1120169470.db2.gz MLGPZXOCSYDZSF-OAHLLOKOSA-N 0 1 250.386 3.694 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@H](C)c1cccc(F)c1 ZINC000091437170 1120171730 /nfs/dbraw/zinc/17/17/30/1120171730.db2.gz KPTLYUBDMXILRW-NXEZZACHSA-N 0 1 262.328 3.842 20 0 CHADMN CC(C)(C)OC(=O)CN1CCC[C@H](c2ccccc2)CC1 ZINC000303121753 1120171913 /nfs/dbraw/zinc/17/19/13/1120171913.db2.gz ADFHWJYCCBTHAT-INIZCTEOSA-N 0 1 289.419 3.598 20 0 CHADMN Cc1c2nc[nH]c2ccc1N[C@H]1CCCc2cccnc21 ZINC001168654835 1120175029 /nfs/dbraw/zinc/17/50/29/1120175029.db2.gz GZEHERYAPFPWHZ-HNNXBMFYSA-N 0 1 278.359 3.756 20 0 CHADMN CCCCCc1cc(C(=O)N(CCCC)C2CC2)n[nH]1 ZINC000666079709 1120176618 /nfs/dbraw/zinc/17/66/18/1120176618.db2.gz BAPNJAZGCDTEDP-UHFFFAOYSA-N 0 1 277.412 3.547 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2c2ccccc2C)c(C)o1 ZINC000659845803 1120177583 /nfs/dbraw/zinc/17/75/83/1120177583.db2.gz BNOYTVGUNPBXOP-QGZVFWFLSA-N 0 1 270.376 3.937 20 0 CHADMN CCCCN(CC(=O)OCC)[C@@H](CC)c1ccccc1 ZINC000303572808 1120178120 /nfs/dbraw/zinc/17/81/20/1120178120.db2.gz BYTKXHNLXJVBFJ-INIZCTEOSA-N 0 1 277.408 3.803 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(F)cc2)nc1C ZINC000314246962 1120179234 /nfs/dbraw/zinc/17/92/34/1120179234.db2.gz XXVFHRKPZPSNCB-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1cccnc1[C@H](NCc1ccc(O)c(F)c1)C(C)C ZINC000892964330 1120182792 /nfs/dbraw/zinc/18/27/92/1120182792.db2.gz PIIYCOPBBXKGNS-MRXNPFEDSA-N 0 1 288.366 3.722 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cc(Cl)ccc1N ZINC001212433789 1120191499 /nfs/dbraw/zinc/19/14/99/1120191499.db2.gz HENMCLHBQQDHKL-UHFFFAOYSA-N 0 1 290.729 3.761 20 0 CHADMN Cc1ccc(CN(Cc2cc(C)nc(C)n2)C(C)C)s1 ZINC000659854525 1120195142 /nfs/dbraw/zinc/19/51/42/1120195142.db2.gz MRYSJPYXMGCJPC-UHFFFAOYSA-N 0 1 289.448 3.874 20 0 CHADMN CC(C)=CCC[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000659853992 1120195322 /nfs/dbraw/zinc/19/53/22/1120195322.db2.gz SJRJOCPQMNNGJB-MRXNPFEDSA-N 0 1 263.381 3.617 20 0 CHADMN CC(C)O[C@H](C[N@@H+](C)Cc1ccc[nH]1)c1ccccc1 ZINC000644671588 1120199759 /nfs/dbraw/zinc/19/97/59/1120199759.db2.gz ZBTHRVIEMOCHDP-QGZVFWFLSA-N 0 1 272.392 3.613 20 0 CHADMN CCN(C(=O)CN1CCCCC1)c1cccc2ccccc21 ZINC000060476608 1120200508 /nfs/dbraw/zinc/20/05/08/1120200508.db2.gz JLQVEGFEZPLMCM-UHFFFAOYSA-N 0 1 296.414 3.679 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N[C@@H](C)c1ncc(C)o1 ZINC000462796779 1120202922 /nfs/dbraw/zinc/20/29/22/1120202922.db2.gz WTFZKTAREIFHJB-GOEBONIOSA-N 0 1 272.392 3.963 20 0 CHADMN CCCN(Cc1cc(OC)no1)[C@@H]1CCc2ccccc21 ZINC000659860560 1120203505 /nfs/dbraw/zinc/20/35/05/1120203505.db2.gz XVSKQUHEACKTGF-MRXNPFEDSA-N 0 1 286.375 3.583 20 0 CHADMN Cc1nc(C)c(CN(C)Cc2cccc(C)c2C)o1 ZINC000644704800 1120203572 /nfs/dbraw/zinc/20/35/72/1120203572.db2.gz NYQJDRZPBRCWMZ-UHFFFAOYSA-N 0 1 258.365 3.540 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cccc(Cl)c1 ZINC000073007112 1120206036 /nfs/dbraw/zinc/20/60/36/1120206036.db2.gz BXDUFMHWMKJOOH-SECBINFHSA-N 0 1 264.756 3.796 20 0 CHADMN CC[N@@H+](Cc1cc(F)ccc1C)C1CCC(C(=O)[O-])CC1 ZINC000565249810 1120210977 /nfs/dbraw/zinc/21/09/77/1120210977.db2.gz JERGBSBAFOKKID-UHFFFAOYSA-N 0 1 293.382 3.599 20 0 CHADMN C[C@H](c1ccccc1Cl)N1CCC[C@@H](n2cccn2)C1 ZINC000338724035 1120214015 /nfs/dbraw/zinc/21/40/15/1120214015.db2.gz GREKJWLOVAUTNX-ZIAGYGMSSA-N 0 1 289.810 3.935 20 0 CHADMN COC(=O)c1occc1CN1CCC2(CCCCC2)CC1 ZINC000338727806 1120216850 /nfs/dbraw/zinc/21/68/50/1120216850.db2.gz MRWKGDGSZWIMRP-UHFFFAOYSA-N 0 1 291.391 3.613 20 0 CHADMN CCC[N@@H+](Cc1csc([C@H](C)OCC)n1)C(C)C ZINC000584538569 1120218686 /nfs/dbraw/zinc/21/86/86/1120218686.db2.gz VEHZPRFJYXTTSD-LBPRGKRZSA-N 0 1 270.442 3.861 20 0 CHADMN CCCN(Cc1csc([C@H](C)OCC)n1)C(C)C ZINC000584538569 1120218688 /nfs/dbraw/zinc/21/86/88/1120218688.db2.gz VEHZPRFJYXTTSD-LBPRGKRZSA-N 0 1 270.442 3.861 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1cccs1 ZINC000178177122 1120226094 /nfs/dbraw/zinc/22/60/94/1120226094.db2.gz GDRRILNWXCGXHT-VHSXEESVSA-N 0 1 250.342 3.694 20 0 CHADMN C[C@H]1[C@H](C)N(Cc2cc(Cl)sc2Cl)CCN1C ZINC001168675637 1120228376 /nfs/dbraw/zinc/22/83/76/1120228376.db2.gz DXICZOMGIXBSPF-IUCAKERBSA-N 0 1 293.263 3.579 20 0 CHADMN Cc1ccc(-c2noc(CN3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000061757825 1120229205 /nfs/dbraw/zinc/22/92/05/1120229205.db2.gz ANYBLBXHLLDKJK-KBPBESRZSA-N 0 1 285.391 3.523 20 0 CHADMN CCN(Cc1ccccc1)Cc1nc2ccccc2nc1C ZINC000061758235 1120229602 /nfs/dbraw/zinc/22/96/02/1120229602.db2.gz KQHAVYOZAPNECH-UHFFFAOYSA-N 0 1 291.398 3.960 20 0 CHADMN Cc1ccc(SCc2nc([C@@H](N)C(C)C)no2)c(C)c1 ZINC000843147797 1120234430 /nfs/dbraw/zinc/23/44/30/1120234430.db2.gz GHOAJHACXYVVSQ-AWEZNQCLSA-N 0 1 291.420 3.635 20 0 CHADMN CC(C)c1nnc(CNCC2(C)CCCCC2)s1 ZINC000893138776 1120234668 /nfs/dbraw/zinc/23/46/68/1120234668.db2.gz JWMVNOQQECEPCH-UHFFFAOYSA-N 0 1 267.442 3.722 20 0 CHADMN Fc1cccc([C@@H]2CCN(Cc3cc(C4CC4)no3)C2)c1 ZINC000659881905 1120247533 /nfs/dbraw/zinc/24/75/33/1120247533.db2.gz VKOIIQQVXCUOGW-CQSZACIVSA-N 0 1 286.350 3.681 20 0 CHADMN C[C@H](N[C@H]1Cc2cccc(Cl)c2C1)c1cscn1 ZINC001168685685 1120248270 /nfs/dbraw/zinc/24/82/70/1120248270.db2.gz SNLCHQQYRUOASX-ONGXEEELSA-N 0 1 278.808 3.615 20 0 CHADMN Fc1ccc2oc(C[N@H+]3CCCC4(CC4)CC3)nc2c1 ZINC000626114065 1120248287 /nfs/dbraw/zinc/24/82/87/1120248287.db2.gz REZBJXHHIWGOGA-UHFFFAOYSA-N 0 1 274.339 3.733 20 0 CHADMN CCN(CC)[C@@H](C(=O)NCCC(C)(C)C)c1ccccc1 ZINC000111090495 1120250437 /nfs/dbraw/zinc/25/04/37/1120250437.db2.gz GENVGPWKXLGQPE-MRXNPFEDSA-N 0 1 290.451 3.622 20 0 CHADMN CC[C@H](C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1ccccc1 ZINC000665350395 1120250623 /nfs/dbraw/zinc/25/06/23/1120250623.db2.gz QGDKRCJLYAOUCQ-CQSZACIVSA-N 0 1 277.408 3.613 20 0 CHADMN CCC[C@@H](NCc1ccncc1)c1ccc(F)cc1F ZINC000150934127 1120250825 /nfs/dbraw/zinc/25/08/25/1120250825.db2.gz MTBFQSXTBQUODC-MRXNPFEDSA-N 0 1 276.330 3.991 20 0 CHADMN C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCCC[C@@H](C)C1 ZINC000187933733 1120251815 /nfs/dbraw/zinc/25/18/15/1120251815.db2.gz DAOHXFLULZTACW-CABCVRRESA-N 0 1 299.418 3.843 20 0 CHADMN C[C@@H](c1nc(Cc2ccccc2)no1)N1CCCC[C@@H](C)C1 ZINC000187933733 1120251819 /nfs/dbraw/zinc/25/18/19/1120251819.db2.gz DAOHXFLULZTACW-CABCVRRESA-N 0 1 299.418 3.843 20 0 CHADMN CC[C@H](N[C@H](C)c1cn[nH]c1)c1ccc(Cl)s1 ZINC000271461010 1120253904 /nfs/dbraw/zinc/25/39/04/1120253904.db2.gz HJXPCHFUJRFDPK-SCZZXKLOSA-N 0 1 269.801 3.927 20 0 CHADMN CC[C@H](N[C@@H](C)c1cn[nH]c1)c1ccc(Cl)s1 ZINC000271461015 1120254221 /nfs/dbraw/zinc/25/42/21/1120254221.db2.gz HJXPCHFUJRFDPK-WPRPVWTQSA-N 0 1 269.801 3.927 20 0 CHADMN COc1ccc(Cl)cc1CN(C)[C@@H]1C=CCCC1 ZINC000111190135 1120254585 /nfs/dbraw/zinc/25/45/85/1120254585.db2.gz CQKUTFTZGGELAX-CQSZACIVSA-N 0 1 265.784 3.889 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H](C)Cc2ccccc2Cl)n1 ZINC000843150896 1120255362 /nfs/dbraw/zinc/25/53/62/1120255362.db2.gz WKQUCPZEIJHTFR-GWCFXTLKSA-N 0 1 293.798 3.725 20 0 CHADMN COC1(CN[C@H](c2ccc(C)cc2)c2ccccn2)CCC1 ZINC000450887743 1120258960 /nfs/dbraw/zinc/25/89/60/1120258960.db2.gz JPKQUTFHKSDRSE-GOSISDBHSA-N 0 1 296.414 3.638 20 0 CHADMN CCC(C)(C)[C@@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000651303817 1120262776 /nfs/dbraw/zinc/26/27/76/1120262776.db2.gz IYURAKOOPZOAPS-GFCCVEGCSA-N 0 1 258.369 3.504 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2sc3ccccc3c2Cl)C[C@@H]1O ZINC000221449052 1120265192 /nfs/dbraw/zinc/26/51/92/1120265192.db2.gz CXMUHVYNQFDVNX-PWSUYJOCSA-N 0 1 295.835 3.757 20 0 CHADMN C[C@@H]1CCN(Cc2sc3ccccc3c2Cl)C[C@@H]1O ZINC000221449052 1120265196 /nfs/dbraw/zinc/26/51/96/1120265196.db2.gz CXMUHVYNQFDVNX-PWSUYJOCSA-N 0 1 295.835 3.757 20 0 CHADMN CC[C@@H](SCCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000542937137 1120267566 /nfs/dbraw/zinc/26/75/66/1120267566.db2.gz YJZJAVOWCMNXMB-IXDOHACOSA-N 0 1 291.460 3.734 20 0 CHADMN CC[C@H](C)C[C@H](C)Nc1cc(OC(F)F)ccn1 ZINC001168692692 1120269610 /nfs/dbraw/zinc/26/96/10/1120269610.db2.gz JFBGHAIGDSVSTR-UWVGGRQHSA-N 0 1 258.312 3.920 20 0 CHADMN CC[C@@H](C)C[C@@H](C)Nc1c[nH]c2ncc(C(=O)OC)c-2c1 ZINC001168693392 1120270915 /nfs/dbraw/zinc/27/09/15/1120270915.db2.gz LXCRDFSHACWZJL-GHMZBOCLSA-N 0 1 289.379 3.586 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3ccc(Cl)cc32)ncn1 ZINC000678604497 1120280892 /nfs/dbraw/zinc/28/08/92/1120280892.db2.gz HFSZRBJDMMIVRM-MRXNPFEDSA-N 0 1 287.794 3.606 20 0 CHADMN C(=C\c1ccccc1)\CSc1nc(-c2ccccn2)n[nH]1 ZINC000522685165 1120282145 /nfs/dbraw/zinc/28/21/45/1120282145.db2.gz ROWVCWRPTHSZEK-TWGQIWQCSA-N 0 1 294.383 3.672 20 0 CHADMN Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2nnc(C3CC3)o2)C1 ZINC000076385228 1120282723 /nfs/dbraw/zinc/28/27/23/1120282723.db2.gz XZEDEFXCUCMCLC-HIFRSBDPSA-N 0 1 297.402 3.633 20 0 CHADMN Cc1sccc1CNCc1ccccc1Cl ZINC000309363377 1120283000 /nfs/dbraw/zinc/28/30/00/1120283000.db2.gz DIELCJWTWRVYHG-UHFFFAOYSA-N 0 1 251.782 4.000 20 0 CHADMN Brc1ccc2nc(CSCC3CC3)[nH]c2c1 ZINC000460852416 1120288457 /nfs/dbraw/zinc/28/84/57/1120288457.db2.gz DZVOLMKTTWLBKX-UHFFFAOYSA-N 0 1 297.221 3.969 20 0 CHADMN Cc1cc(N2CCC[C@@H]3C[C@@H]32)c2cc(F)ccc2n1 ZINC000672323656 1120290566 /nfs/dbraw/zinc/29/05/66/1120290566.db2.gz NMWAHUAKEADMRH-ABAIWWIYSA-N 0 1 256.324 3.671 20 0 CHADMN COc1cc(CN(C)[C@H](c2ccccc2)C(C)C)sn1 ZINC000659927090 1120290498 /nfs/dbraw/zinc/29/04/98/1120290498.db2.gz OYKRFMROYBHCDU-INIZCTEOSA-N 0 1 290.432 3.981 20 0 CHADMN CCOC[C@H]1CCCN(Cc2cccc(OC)c2Cl)C1 ZINC000659927657 1120290683 /nfs/dbraw/zinc/29/06/83/1120290683.db2.gz GHJGKUWVVSRBBG-ZDUSSCGKSA-N 0 1 297.826 3.597 20 0 CHADMN CCc1nnc([C@H](C)N2C[C@H](c3ccccc3C)C[C@H]2C)[nH]1 ZINC000659940955 1120297394 /nfs/dbraw/zinc/29/73/94/1120297394.db2.gz RHCOKVAVZBELKO-QLFBSQMISA-N 0 1 298.434 3.615 20 0 CHADMN CC(C)[C@@H](NCc1ccc(Cl)nc1)c1ccc(F)cn1 ZINC000779394406 1128906111 /nfs/dbraw/zinc/90/61/11/1128906111.db2.gz WQZSONUYDWESLQ-OAHLLOKOSA-N 0 1 293.773 3.756 20 0 CHADMN Cc1ccccc1-c1noc(CN(C2CC2)C2CCCC2)n1 ZINC000064808781 1120303029 /nfs/dbraw/zinc/30/30/29/1120303029.db2.gz BRNZZEZMOOIWHH-UHFFFAOYSA-N 0 1 297.402 3.952 20 0 CHADMN CCC[N@@H+](Cc1nc(C)oc1C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000659947339 1120303432 /nfs/dbraw/zinc/30/34/32/1120303432.db2.gz KQUOHFNYPJVILK-CVEARBPZSA-N 0 1 294.439 3.707 20 0 CHADMN CCCN(Cc1nc(C)oc1C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000659947339 1120303434 /nfs/dbraw/zinc/30/34/34/1120303434.db2.gz KQUOHFNYPJVILK-CVEARBPZSA-N 0 1 294.439 3.707 20 0 CHADMN C#CCCCC(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000191190132 1128906854 /nfs/dbraw/zinc/90/68/54/1128906854.db2.gz QDVLETWRBFRKHK-SNVBAGLBSA-N 0 1 290.750 3.624 20 0 CHADMN COc1cc2c(cc1CNCc1ccccc1C)O[C@@H](C)C2 ZINC000072670703 1120310035 /nfs/dbraw/zinc/31/00/35/1120310035.db2.gz FNECKQIGBHXULM-AWEZNQCLSA-N 0 1 297.398 3.617 20 0 CHADMN CN(C(=O)c1cccc2n[nH]cc21)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416312582 1120311554 /nfs/dbraw/zinc/31/15/54/1120311554.db2.gz QQQBTTSWPAIGOM-GDBMZVCRSA-N 0 1 299.418 3.850 20 0 CHADMN CC(F)(F)CCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000672485331 1120313804 /nfs/dbraw/zinc/31/38/04/1120313804.db2.gz VLFZKZJIMUEPDT-UHFFFAOYSA-N 0 1 281.661 3.559 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2cc(C)nc(C)n2)o1 ZINC000659969808 1120315817 /nfs/dbraw/zinc/31/58/17/1120315817.db2.gz GULZOCAKNHEULT-PXAZEXFGSA-N 0 1 299.418 3.968 20 0 CHADMN Oc1cccc(C[N@H+]2CC3CCC2CC3)c1Br ZINC000315963233 1120318459 /nfs/dbraw/zinc/31/84/59/1120318459.db2.gz WEYRTEAKKVCVDH-UHFFFAOYSA-N 0 1 296.208 3.529 20 0 CHADMN CC(C)CCN(C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000077211619 1120319888 /nfs/dbraw/zinc/31/98/88/1120319888.db2.gz IESGUZAZKHNBIB-UHFFFAOYSA-N 0 1 293.798 3.868 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)[C@H]2c2cccc(F)c2)nc(C)n1 ZINC000659978465 1120321146 /nfs/dbraw/zinc/32/11/46/1120321146.db2.gz GDFLMVZXLJNDDO-XIKOKIGWSA-N 0 1 299.393 3.816 20 0 CHADMN COC1CCC(CCNCc2nc(C(C)(C)C)co2)CC1 ZINC000921994075 1120322977 /nfs/dbraw/zinc/32/29/77/1120322977.db2.gz JRYUCRVKVQFJBJ-UHFFFAOYSA-N 0 1 294.439 3.657 20 0 CHADMN CCC[C@H](C)CCC[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000629362528 1128908273 /nfs/dbraw/zinc/90/82/73/1128908273.db2.gz UXXSVEXEHFYXCU-ZDUSSCGKSA-N 0 1 255.402 3.532 20 0 CHADMN Cc1ccccc1-c1noc(CN(C(C)C)C2CCC2)n1 ZINC000077359085 1120328710 /nfs/dbraw/zinc/32/87/10/1120328710.db2.gz MXNRFHQSPUHLBC-UHFFFAOYSA-N 0 1 285.391 3.808 20 0 CHADMN Cc1oc2ccccc2c1CNCc1cnn(C2CCC2)c1 ZINC000922007085 1120329448 /nfs/dbraw/zinc/32/94/48/1120329448.db2.gz FUBBBHWWNCUCJK-UHFFFAOYSA-N 0 1 295.386 3.953 20 0 CHADMN Cc1oc2ccccc2c1CNCc1ccnn1C1CCC1 ZINC000922008355 1120329572 /nfs/dbraw/zinc/32/95/72/1120329572.db2.gz LYLTUFBBNPGXTM-UHFFFAOYSA-N 0 1 295.386 3.953 20 0 CHADMN Cc1nocc1CN[C@H](c1ccc(F)cc1)C(C)C ZINC000339175418 1120334191 /nfs/dbraw/zinc/33/41/91/1120334191.db2.gz YHUXQPFNMZMJSK-HNNXBMFYSA-N 0 1 262.328 3.609 20 0 CHADMN C[C@H](CCc1ccsc1)N[C@@H]1CCCC1(F)F ZINC000672622354 1120335619 /nfs/dbraw/zinc/33/56/19/1120335619.db2.gz YHRVGUIBDTXRSF-ZYHUDNBSSA-N 0 1 259.365 3.847 20 0 CHADMN CC(C)=CCCN1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000660003972 1120337448 /nfs/dbraw/zinc/33/74/48/1120337448.db2.gz XKHMDWPFVZZGNG-HIFRSBDPSA-N 0 1 265.422 3.866 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCC[C@H](CC)C2)n1 ZINC000042145735 1120338828 /nfs/dbraw/zinc/33/88/28/1120338828.db2.gz CNTHBEOCTCUQRZ-OLZOCXBDSA-N 0 1 265.401 3.595 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1ccnc(C)c1 ZINC000651389002 1120341545 /nfs/dbraw/zinc/34/15/45/1120341545.db2.gz IMVDICKVVIZGEL-CYBMUJFWSA-N 0 1 286.423 3.501 20 0 CHADMN Cc1sccc1CNCc1cc(F)cc(F)c1 ZINC000339179424 1120342841 /nfs/dbraw/zinc/34/28/41/1120342841.db2.gz QYCFVNKOLWOYKT-UHFFFAOYSA-N 0 1 253.317 3.625 20 0 CHADMN Cc1cccc(F)c1NC(=O)c1ccc(O)c(Cl)c1 ZINC000225046635 1120347321 /nfs/dbraw/zinc/34/73/21/1120347321.db2.gz YCBUDSKQKDYWHT-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN Oc1cc(Cl)cc(CN[C@H](c2cccnc2)C2CC2)c1 ZINC000893257305 1120348160 /nfs/dbraw/zinc/34/81/60/1120348160.db2.gz ZAXHQYKVZCKJOQ-INIZCTEOSA-N 0 1 288.778 3.682 20 0 CHADMN Oc1cc(Cl)cc(CN[C@@H](c2cccnc2)C2CC2)c1 ZINC000893257306 1120348302 /nfs/dbraw/zinc/34/83/02/1120348302.db2.gz ZAXHQYKVZCKJOQ-MRXNPFEDSA-N 0 1 288.778 3.682 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)N[C@@H](C)C1(Cl)CC1 ZINC000695646749 1120349090 /nfs/dbraw/zinc/34/90/90/1120349090.db2.gz GWGDWPKLOMJQJK-ZJUUUORDSA-N 0 1 271.763 3.645 20 0 CHADMN Cc1nc(C2(NC[C@@H]3CC[C@H]4C[C@H]4C3)CCCCC2)no1 ZINC000660036238 1120349153 /nfs/dbraw/zinc/34/91/53/1120349153.db2.gz LGBMKGBCGLDATP-QLFBSQMISA-N 0 1 289.423 3.563 20 0 CHADMN CC[C@@H](NCc1ccc(CO)o1)c1cccc(Cl)c1 ZINC000077897805 1120354833 /nfs/dbraw/zinc/35/48/33/1120354833.db2.gz RBUNCJYHYZHATM-OAHLLOKOSA-N 0 1 279.767 3.666 20 0 CHADMN CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000582067727 1120355918 /nfs/dbraw/zinc/35/59/18/1120355918.db2.gz GBQWWLCYXWZYIH-AWEZNQCLSA-N 0 1 275.392 3.785 20 0 CHADMN [O-]c1cccc2c(N[C@@H](C3CC3)C3CCOCC3)cc[nH+]c12 ZINC000651402268 1120361161 /nfs/dbraw/zinc/36/11/61/1120361161.db2.gz SDPUHAIQQKCGKM-KRWDZBQOSA-N 0 1 298.386 3.558 20 0 CHADMN Clc1cscc1CN1CCC([C@H]2CCOC2)CC1 ZINC000680333731 1120365180 /nfs/dbraw/zinc/36/51/80/1120365180.db2.gz REYCORFLVJVJFA-LBPRGKRZSA-N 0 1 285.840 3.650 20 0 CHADMN CCOC1CCN([C@@H](C)c2cc(F)ccc2F)CC1 ZINC000618443783 1128912590 /nfs/dbraw/zinc/91/25/90/1128912590.db2.gz FIZBFTPLBGHBES-NSHDSACASA-N 0 1 269.335 3.527 20 0 CHADMN CCCc1ccc(CNCc2cccc3c2OCO3)cc1 ZINC000618467295 1128913197 /nfs/dbraw/zinc/91/31/97/1128913197.db2.gz FSVSFERTUKIGSU-UHFFFAOYSA-N 0 1 283.371 3.658 20 0 CHADMN Cc1ccccc1-c1noc(CN2C[C@H](C)C[C@H](C)C2)n1 ZINC000066406419 1120390191 /nfs/dbraw/zinc/39/01/91/1120390191.db2.gz PCDHYAFPHAZWTN-BETUJISGSA-N 0 1 285.391 3.523 20 0 CHADMN CC(C)[C@H]1C[C@H](CNCc2nc(C(C)(C)C)co2)CCO1 ZINC000922158942 1120395827 /nfs/dbraw/zinc/39/58/27/1120395827.db2.gz NRSARMXLVYWYPK-ZIAGYGMSSA-N 0 1 294.439 3.513 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cccc3c2OCC3)c2ccccc2O1 ZINC000922157444 1120396656 /nfs/dbraw/zinc/39/66/56/1120396656.db2.gz UXDXJUPWDFXGJL-CXAGYDPISA-N 0 1 295.382 3.623 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@@H](C)c1ccc(F)cc1 ZINC000078679011 1120399568 /nfs/dbraw/zinc/39/95/68/1120399568.db2.gz WACYMGUGPXGHKC-UWVGGRQHSA-N 0 1 262.328 3.842 20 0 CHADMN Cc1cnn(-c2ccncc2N[C@@H](C)Cc2ccsc2)c1 ZINC000543072321 1120400558 /nfs/dbraw/zinc/40/05/58/1120400558.db2.gz KKWRJYSJRTWXOI-ZDUSSCGKSA-N 0 1 298.415 3.680 20 0 CHADMN CCN(C(=O)c1cccc2c[nH]nc21)[C@H]1CCCC[C@H]1C ZINC000066674898 1120404811 /nfs/dbraw/zinc/40/48/11/1120404811.db2.gz DAKFFXABABLLKD-DOMZBBRYSA-N 0 1 285.391 3.604 20 0 CHADMN CC(C)Oc1cccc(N[C@H]2CCCc3[nH]ncc32)c1 ZINC000453301171 1120405161 /nfs/dbraw/zinc/40/51/61/1120405161.db2.gz WTDPBIZNNDEEDS-HNNXBMFYSA-N 0 1 271.364 3.686 20 0 CHADMN COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc3c(c2)CCC3)cn1 ZINC000682073768 1120407218 /nfs/dbraw/zinc/40/72/18/1120407218.db2.gz BRMXBKLTDYDKJK-AWEZNQCLSA-N 0 1 296.414 3.772 20 0 CHADMN Cc1cc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)cc(Cl)n1 ZINC000320827902 1120407374 /nfs/dbraw/zinc/40/73/74/1120407374.db2.gz DJHQTCRYDPHNNN-UKRRQHHQSA-N 0 1 296.842 3.559 20 0 CHADMN CCOc1ccc([C@H](C)NCc2ccnn2C(C)C)cc1 ZINC000394596872 1120413160 /nfs/dbraw/zinc/41/31/60/1120413160.db2.gz IYDRWLDEPDTIHH-AWEZNQCLSA-N 0 1 287.407 3.714 20 0 CHADMN CCN(Cc1ccoc1)Cc1ccc2[nH]ccc2c1 ZINC000682559637 1120419220 /nfs/dbraw/zinc/41/92/20/1120419220.db2.gz LXNMEWKSQRKCAW-UHFFFAOYSA-N 0 1 254.333 3.783 20 0 CHADMN C[C@@H]1c2ccccc2C[N@H+]1Cc1ccc2nc[nH]c2c1 ZINC000543103444 1120420239 /nfs/dbraw/zinc/42/02/39/1120420239.db2.gz HPSZUUXMHRRUNQ-GFCCVEGCSA-N 0 1 263.344 3.640 20 0 CHADMN C[C@@H]1c2ccccc2C[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC000543103444 1120420244 /nfs/dbraw/zinc/42/02/44/1120420244.db2.gz HPSZUUXMHRRUNQ-GFCCVEGCSA-N 0 1 263.344 3.640 20 0 CHADMN C[C@@H]1c2ccccc2CN1Cc1ccc2[nH]cnc2c1 ZINC000543103444 1120420246 /nfs/dbraw/zinc/42/02/46/1120420246.db2.gz HPSZUUXMHRRUNQ-GFCCVEGCSA-N 0 1 263.344 3.640 20 0 CHADMN C[C@@H]1c2ccccc2CN1Cc1ccc2nc[nH]c2c1 ZINC000543103444 1120420249 /nfs/dbraw/zinc/42/02/49/1120420249.db2.gz HPSZUUXMHRRUNQ-GFCCVEGCSA-N 0 1 263.344 3.640 20 0 CHADMN CCC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000584726397 1120422672 /nfs/dbraw/zinc/42/26/72/1120422672.db2.gz XPZGKTLZAVONKH-DOMZBBRYSA-N 0 1 295.810 3.978 20 0 CHADMN COC[C@@]1(C)CCN(Cc2csc(C(F)(F)F)c2)C1 ZINC000628297518 1120423713 /nfs/dbraw/zinc/42/37/13/1120423713.db2.gz AUBWCEHMIMGENQ-LBPRGKRZSA-N 0 1 293.354 3.625 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1cc(O)cc(Cl)c1 ZINC000893302299 1120428997 /nfs/dbraw/zinc/42/89/97/1120428997.db2.gz FTMOOWFIUMRFKG-NSHDSACASA-N 0 1 276.767 3.600 20 0 CHADMN Cc1ccnc(CN(C)[C@H](C)c2ccc(F)cc2)c1 ZINC000683000659 1120433953 /nfs/dbraw/zinc/43/39/53/1120433953.db2.gz DFMHVISZFCFEKE-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN Oc1ccc2c(c1)[C@H](N[C@@H]1COCc3ccccc31)CCC2 ZINC000417355806 1120434266 /nfs/dbraw/zinc/43/42/66/1120434266.db2.gz DWVNGGJPQQFSIZ-RTBURBONSA-N 0 1 295.382 3.631 20 0 CHADMN C[C@@H]1Cc2ccc(F)cc2[C@@H]1N[C@H]1COCc2ccccc21 ZINC000417360445 1120436974 /nfs/dbraw/zinc/43/69/74/1120436974.db2.gz JTPWMZRPHPKOGJ-ZUSMLRIVSA-N 0 1 297.373 3.920 20 0 CHADMN C[C@H](N[C@@H]1COCc2ccccc21)c1ccc2c(c1)COC2 ZINC000417366137 1120438483 /nfs/dbraw/zinc/43/84/83/1120438483.db2.gz ONYGFCOSZFIIRT-ORAYPTAESA-N 0 1 295.382 3.639 20 0 CHADMN COCCSc1ccc([C@H](C)NCc2ccoc2)cc1 ZINC000728774506 1120440463 /nfs/dbraw/zinc/44/04/63/1120440463.db2.gz KUWVMSXYCPVELW-ZDUSSCGKSA-N 0 1 291.416 3.869 20 0 CHADMN CC1(C)CN(CC(F)(F)F)CC[N@H+]1CCCC1CCC1 ZINC000660206265 1120441627 /nfs/dbraw/zinc/44/16/27/1120441627.db2.gz HLSVMSFCSYTPNJ-UHFFFAOYSA-N 0 1 292.389 3.525 20 0 CHADMN CC1(C)CN(CC(F)(F)F)CCN1CCCC1CCC1 ZINC000660206265 1120441629 /nfs/dbraw/zinc/44/16/29/1120441629.db2.gz HLSVMSFCSYTPNJ-UHFFFAOYSA-N 0 1 292.389 3.525 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1ccc(CC(C)C)nc1 ZINC000893304308 1120442151 /nfs/dbraw/zinc/44/21/51/1120442151.db2.gz LXFQJMSZOKUJEU-HNNXBMFYSA-N 0 1 283.419 3.834 20 0 CHADMN CC(C)(C)c1ccncc1CNCc1cccc2c1OCC2 ZINC000922182148 1120450579 /nfs/dbraw/zinc/45/05/79/1120450579.db2.gz GGYLIIVEQPBHKR-UHFFFAOYSA-N 0 1 296.414 3.604 20 0 CHADMN CC[C@@H]1C[C@@H](N[C@H](c2cccc(C)c2)c2ccccn2)CO1 ZINC000657423119 1120452879 /nfs/dbraw/zinc/45/28/79/1120452879.db2.gz WSEHMLUATYEWGP-ZHALLVOQSA-N 0 1 296.414 3.637 20 0 CHADMN Cc1sccc1C[NH2+][C@H](C(=O)[O-])c1cccc(C)c1C ZINC000417572059 1120459184 /nfs/dbraw/zinc/45/91/84/1120459184.db2.gz YBFVWZBBQWZHNJ-HNNXBMFYSA-N 0 1 289.400 3.589 20 0 CHADMN COc1cc([C@H](C)N[C@H]2CC[C@H](C)c3ccccc32)on1 ZINC000925611889 1120461840 /nfs/dbraw/zinc/46/18/40/1120461840.db2.gz PRYXHBCICPZACJ-HUBLWGQQSA-N 0 1 286.375 3.972 20 0 CHADMN Cc1nc(CN2CC[C@H](c3cc(C)cc(C)c3)C2)co1 ZINC000660249571 1120466948 /nfs/dbraw/zinc/46/69/48/1120466948.db2.gz RVGCFGZORHCLAI-HNNXBMFYSA-N 0 1 270.376 3.589 20 0 CHADMN CCN(C)[C@H](C(=O)Nc1ccc(C)cc1C)c1ccccc1 ZINC000068368785 1120473821 /nfs/dbraw/zinc/47/38/21/1120473821.db2.gz YSDSMAGEIGCMIA-SFHVURJKSA-N 0 1 296.414 3.935 20 0 CHADMN Cc1cc(C(=O)N(Cc2ccccc2)C2CCCCC2)n[nH]1 ZINC000068450642 1120474745 /nfs/dbraw/zinc/47/47/45/1120474745.db2.gz ASEFQBXDFFSIDI-UHFFFAOYSA-N 0 1 297.402 3.693 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccc(C)cc2C)n(C)n1 ZINC000417718630 1120476456 /nfs/dbraw/zinc/47/64/56/1120476456.db2.gz VXAKPJIHZQJPLD-HNNXBMFYSA-N 0 1 271.408 3.538 20 0 CHADMN CC[C@@H](NCc1cnn(C2CCC2)c1)c1ccccc1F ZINC000922223409 1120477224 /nfs/dbraw/zinc/47/72/24/1120477224.db2.gz VCLZDMDOEYHXJD-QGZVFWFLSA-N 0 1 287.382 3.988 20 0 CHADMN CCn1cncc1CN(Cc1cccc(Cl)c1)C(C)C ZINC000417732916 1120477783 /nfs/dbraw/zinc/47/77/83/1120477783.db2.gz TTYSMOHXCKYFRZ-UHFFFAOYSA-N 0 1 291.826 3.967 20 0 CHADMN COCc1csc(CNCc2cc(C)cnc2Cl)c1 ZINC000922247452 1120483729 /nfs/dbraw/zinc/48/37/29/1120483729.db2.gz CTEBJNVLLRWQBN-UHFFFAOYSA-N 0 1 296.823 3.541 20 0 CHADMN Cc1ccc2oc(CNCc3ccnn3C3CCC3)cc2c1 ZINC000922248590 1120484516 /nfs/dbraw/zinc/48/45/16/1120484516.db2.gz OXCDYMXVCPSNHZ-UHFFFAOYSA-N 0 1 295.386 3.953 20 0 CHADMN CCCn1cc(CN[C@@H](C)c2ccc(OCC)cc2)cn1 ZINC000116912707 1120485956 /nfs/dbraw/zinc/48/59/56/1120485956.db2.gz STEWJKHAUPKZSM-AWEZNQCLSA-N 0 1 287.407 3.543 20 0 CHADMN COc1cccc(CNCc2nccc3c2CCCC3)c1C ZINC000922267709 1120491035 /nfs/dbraw/zinc/49/10/35/1120491035.db2.gz QXIITWSFPGGELL-UHFFFAOYSA-N 0 1 296.414 3.567 20 0 CHADMN Cc1cncc([C@H](C)N[C@H]2CCCc3cnn(C(C)C)c32)c1 ZINC000364174875 1120494667 /nfs/dbraw/zinc/49/46/67/1120494667.db2.gz MSORBBAUWSJANA-YOEHRIQHSA-N 0 1 298.434 3.896 20 0 CHADMN Cc1ccn2c(CN3CC4C[C@@H]5CC3C[C@H](C4)C5)cnc2c1 ZINC000511645301 1120495528 /nfs/dbraw/zinc/49/55/28/1120495528.db2.gz GWOSSTLZHQOCJJ-RYTJFDOTSA-N 0 1 295.430 3.653 20 0 CHADMN CCC[C@H]1CCCN(Cc2ccc(Cl)cn2)C1 ZINC000554317671 1128920487 /nfs/dbraw/zinc/92/04/87/1128920487.db2.gz FKULUHXGUBBQKY-LBPRGKRZSA-N 0 1 252.789 3.747 20 0 CHADMN CC(C)(C)c1nc(CNC[C@]2(C)CC2(F)F)cs1 ZINC000657670601 1120507590 /nfs/dbraw/zinc/50/75/90/1120507590.db2.gz VJNCMVJIUUTRGG-LBPRGKRZSA-N 0 1 274.380 3.576 20 0 CHADMN CC(C)(C)c1nc(CNC[C@@]2(C)CC2(F)F)cs1 ZINC000657670600 1120507961 /nfs/dbraw/zinc/50/79/61/1120507961.db2.gz VJNCMVJIUUTRGG-GFCCVEGCSA-N 0 1 274.380 3.576 20 0 CHADMN CC(C)[C@@H](C)CN[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000543402273 1120509416 /nfs/dbraw/zinc/50/94/16/1120509416.db2.gz HEVMWAVIOSKMAF-GUYCJALGSA-N 0 1 287.382 3.587 20 0 CHADMN COC(=O)c1coc(CN[C@@H](C)c2cc(C)cc(C)c2)c1 ZINC001168722581 1120509465 /nfs/dbraw/zinc/50/94/65/1120509465.db2.gz GDRPHHJXFFGYSG-ZDUSSCGKSA-N 0 1 287.359 3.534 20 0 CHADMN CC(C)[C@@H](C)CN[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000543402274 1120509895 /nfs/dbraw/zinc/50/98/95/1120509895.db2.gz HEVMWAVIOSKMAF-SUMWQHHRSA-N 0 1 287.382 3.587 20 0 CHADMN CC(C)(C)c1ccc(CNCc2cnn(CCF)c2)s1 ZINC000922323723 1120512199 /nfs/dbraw/zinc/51/21/99/1120512199.db2.gz GOHRRXYVXSCQPP-UHFFFAOYSA-N 0 1 295.427 3.501 20 0 CHADMN Cc1cc([C@H](C)N[C@H](c2ccccc2)C2CC2)nn1C ZINC000282350737 1120512242 /nfs/dbraw/zinc/51/22/42/1120512242.db2.gz VSJMJCSJRGCSSP-SUMWQHHRSA-N 0 1 269.392 3.530 20 0 CHADMN Fc1ccc(CNCc2ccc(Cl)s2)cc1 ZINC000020052357 1120514658 /nfs/dbraw/zinc/51/46/58/1120514658.db2.gz OSEYQTLQXHWXSF-UHFFFAOYSA-N 0 1 255.745 3.830 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1cnc(C2CC2)o1 ZINC000651470781 1120518832 /nfs/dbraw/zinc/51/88/32/1120518832.db2.gz RZTHWDZZGIOWNE-MRXNPFEDSA-N 0 1 268.360 3.638 20 0 CHADMN c1ccc2c(c1)COC[C@@H]2NCc1ccc2c(c1)CCCC2 ZINC000418111911 1120520343 /nfs/dbraw/zinc/52/03/43/1120520343.db2.gz YJBOOYXHBGNXNS-FQEVSTJZSA-N 0 1 293.410 3.927 20 0 CHADMN CC(C)CC1([NH2+]Cc2cccc([O-])c2Cl)CC1 ZINC000657776244 1120521731 /nfs/dbraw/zinc/52/17/31/1120521731.db2.gz XRRBPRPNYALUQB-UHFFFAOYSA-N 0 1 253.773 3.714 20 0 CHADMN CC(=O)Nc1cccc(CNCc2ccc(Cl)cc2)c1 ZINC000069831145 1120522553 /nfs/dbraw/zinc/52/25/53/1120522553.db2.gz AETGLTDMSJKOEV-UHFFFAOYSA-N 0 1 288.778 3.588 20 0 CHADMN CCOc1nnc(CN[C@H](C)[C@@H](C)C2CCCCC2)s1 ZINC000543463909 1120527531 /nfs/dbraw/zinc/52/75/31/1120527531.db2.gz XEUQRQMNEAQCEE-VXGBXAGGSA-N 0 1 297.468 3.631 20 0 CHADMN C[C@@H]1CC[C@@H]1N[C@H](c1nccs1)c1ccccc1 ZINC000783229302 1120527864 /nfs/dbraw/zinc/52/78/64/1120527864.db2.gz DOGZOKOEWUWECL-XBFCOCLRSA-N 0 1 258.390 3.621 20 0 CHADMN C[C@@H]1CC[C@H]1N[C@@H](c1nccs1)c1ccccc1 ZINC000783229301 1120527907 /nfs/dbraw/zinc/52/79/07/1120527907.db2.gz DOGZOKOEWUWECL-MRVWCRGKSA-N 0 1 258.390 3.621 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000543476105 1120530987 /nfs/dbraw/zinc/53/09/87/1120530987.db2.gz ZQZZJWNCMZNLSK-KFNAQCHYSA-N 0 1 297.389 3.755 20 0 CHADMN COc1ccc([C@H](C)NCc2ccccc2)c(OC)c1 ZINC000019899644 1120545931 /nfs/dbraw/zinc/54/59/31/1120545931.db2.gz IPRQQXOEQZFRMQ-ZDUSSCGKSA-N 0 1 271.360 3.555 20 0 CHADMN Cc1cc(N2CC[C@@H](C(F)F)C2)c2cc(F)ccc2n1 ZINC000685919658 1120551580 /nfs/dbraw/zinc/55/15/80/1120551580.db2.gz PPYSOTVVAGGZGI-SNVBAGLBSA-N 0 1 280.293 3.774 20 0 CHADMN C[C@H]1Cc2cc(CN[C@H](c3ccccn3)C3CC3)ccc2O1 ZINC000922581633 1120555830 /nfs/dbraw/zinc/55/58/30/1120555830.db2.gz KMTWQFDWVHUNFZ-DJJJIMSYSA-N 0 1 294.398 3.646 20 0 CHADMN COCc1csc(CN[C@@H](c2ccccn2)C2CC2)c1 ZINC000922582702 1120556035 /nfs/dbraw/zinc/55/60/35/1120556035.db2.gz POCPKGCSKOMQSI-MRXNPFEDSA-N 0 1 288.416 3.530 20 0 CHADMN CCc1cccc2c(C(=O)[C@@H](NC)c3ccccc3)c[nH]c21 ZINC000043305015 1120562235 /nfs/dbraw/zinc/56/22/35/1120562235.db2.gz VCKWUGBCIAIGFM-SFHVURJKSA-N 0 1 292.382 3.874 20 0 CHADMN CCSc1ccccc1[C@@H](C)NCc1cc(CC)n[nH]1 ZINC000765994708 1120566755 /nfs/dbraw/zinc/56/67/55/1120566755.db2.gz RBGRJZASDDLUAI-GFCCVEGCSA-N 0 1 289.448 3.935 20 0 CHADMN CCSc1ccccc1[C@@H](C)NCc1cc(CC)[nH]n1 ZINC000765994708 1120566759 /nfs/dbraw/zinc/56/67/59/1120566759.db2.gz RBGRJZASDDLUAI-GFCCVEGCSA-N 0 1 289.448 3.935 20 0 CHADMN CC1(CC(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)CC1 ZINC000428916880 1120568023 /nfs/dbraw/zinc/56/80/23/1120568023.db2.gz HUSTYDKERPKCQL-CQSZACIVSA-N 0 1 299.374 3.543 20 0 CHADMN Cn1cnc(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000673601592 1120569512 /nfs/dbraw/zinc/56/95/12/1120569512.db2.gz LONUUAVCYWFDGJ-MRXNPFEDSA-N 0 1 289.810 3.705 20 0 CHADMN CC(C)c1ncc(CNC(C)(C)/C=C\Cl)s1 ZINC000922649502 1120570448 /nfs/dbraw/zinc/57/04/48/1120570448.db2.gz WURGDCKVAIQEPN-WAYWQWQTSA-N 0 1 258.818 3.887 20 0 CHADMN Cc1cc(CNC(C)(C)/C=C\Cl)cnc1Cl ZINC000922648432 1120571749 /nfs/dbraw/zinc/57/17/49/1120571749.db2.gz JHRZWPJNPOPNTM-PLNGDYQASA-N 0 1 259.180 3.664 20 0 CHADMN CC(C)(/C=C/Cl)NCc1cnc(-c2ccccc2)nc1 ZINC000922650353 1120573415 /nfs/dbraw/zinc/57/34/15/1120573415.db2.gz NURWZRFRULFWEH-CMDGGOBGSA-N 0 1 287.794 3.764 20 0 CHADMN C[C@@H]1CN(CC2CC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428933589 1120574304 /nfs/dbraw/zinc/57/43/04/1120574304.db2.gz LQPYLPOCIGUEGY-IAQYHMDHSA-N 0 1 299.336 3.877 20 0 CHADMN CCOc1cccc(CN[C@@H](C)c2ccc(F)cc2C)n1 ZINC000922666988 1120574891 /nfs/dbraw/zinc/57/48/91/1120574891.db2.gz HDGNOJOSPCSYNB-ZDUSSCGKSA-N 0 1 288.366 3.779 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1cncn1C(C)C ZINC000922666460 1120575740 /nfs/dbraw/zinc/57/57/40/1120575740.db2.gz CYMHKFXKXCVHFG-CYBMUJFWSA-N 0 1 275.371 3.762 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)NCc1cnc(C2CC2)nc1 ZINC000922669917 1120577043 /nfs/dbraw/zinc/57/70/43/1120577043.db2.gz QODOOJNGAFDHPA-LBPRGKRZSA-N 0 1 285.366 3.652 20 0 CHADMN COc1ccc([C@H](C)NCc2nc3ccccc3[nH]2)cc1C ZINC000922672430 1120577566 /nfs/dbraw/zinc/57/75/66/1120577566.db2.gz RUMGVYFYYVOSDR-ZDUSSCGKSA-N 0 1 295.386 3.731 20 0 CHADMN CCSc1ccccc1CCNCc1cscn1 ZINC000922706445 1120583673 /nfs/dbraw/zinc/58/36/73/1120583673.db2.gz LIQWHBYOFQXDMX-UHFFFAOYSA-N 0 1 278.446 3.587 20 0 CHADMN COc1cccc(CN2CCSC[C@H](C)C2)c1Cl ZINC000660407535 1120585840 /nfs/dbraw/zinc/58/58/40/1120585840.db2.gz QTAGQNRSZYVGCD-LLVKDONJSA-N 0 1 285.840 3.534 20 0 CHADMN CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000660409853 1120586990 /nfs/dbraw/zinc/58/69/90/1120586990.db2.gz IJRGDERTYGWBFP-GUTXKFCHSA-N 0 1 285.391 3.966 20 0 CHADMN Cc1ccc(OC(F)F)c(CN2CCCC3(CC3)C2)c1 ZINC000473058472 1120593787 /nfs/dbraw/zinc/59/37/87/1120593787.db2.gz OQHSOLHKWUWKFT-UHFFFAOYSA-N 0 1 281.346 3.972 20 0 CHADMN CCc1cc(N[C@@H]2CCCc3[nH]ncc32)ccc1F ZINC000690134994 1120598405 /nfs/dbraw/zinc/59/84/05/1120598405.db2.gz PRDURUTXKBKFLG-CQSZACIVSA-N 0 1 259.328 3.601 20 0 CHADMN CCCCCOc1ccc(CN[C@H](C)CF)cc1 ZINC000673619180 1120602904 /nfs/dbraw/zinc/60/29/04/1120602904.db2.gz MMJJRZDRHAMHPX-CYBMUJFWSA-N 0 1 253.361 3.703 20 0 CHADMN Cc1cnc(Cl)c(CNC[C@H]2CCCC3(CCC3)O2)c1 ZINC000922809862 1120604144 /nfs/dbraw/zinc/60/41/44/1120604144.db2.gz GHBVMEFFIKYSNK-CQSZACIVSA-N 0 1 294.826 3.625 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@@H]1CCc2cc(C)ccc21 ZINC000766001107 1120608460 /nfs/dbraw/zinc/60/84/60/1120608460.db2.gz GFRTVIULTLXCJT-BDJLRTHQSA-N 0 1 270.376 3.938 20 0 CHADMN CCO[C@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 ZINC000156030250 1120612731 /nfs/dbraw/zinc/61/27/31/1120612731.db2.gz SACKBHFIGICLLY-ZDUSSCGKSA-N 0 1 287.325 3.706 20 0 CHADMN Cc1ccsc1CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000093638124 1120619225 /nfs/dbraw/zinc/61/92/25/1120619225.db2.gz DCSRQZPJIAZEFB-GOSISDBHSA-N 0 1 299.439 3.730 20 0 CHADMN CCc1ccc(CN(Cc2cccs2)C2CC2)nc1 ZINC000338889120 1120620647 /nfs/dbraw/zinc/62/06/47/1120620647.db2.gz CORJLGIAUACHGG-UHFFFAOYSA-N 0 1 272.417 3.870 20 0 CHADMN FCCCN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432021396 1120628256 /nfs/dbraw/zinc/62/82/56/1120628256.db2.gz VJRRZHCBDFJZNT-CQSZACIVSA-N 0 1 257.299 3.851 20 0 CHADMN C[C@@H]1CCCCN1Cc1coc(-c2ccccc2F)n1 ZINC000625063393 1120628490 /nfs/dbraw/zinc/62/84/90/1120628490.db2.gz NTUGVKUHLGSGBC-GFCCVEGCSA-N 0 1 274.339 3.855 20 0 CHADMN CC[C@H]1CCCCN1Cc1ccncc1Br ZINC000625065743 1120628537 /nfs/dbraw/zinc/62/85/37/1120628537.db2.gz QPAGTNHGUBUVIA-LBPRGKRZSA-N 0 1 283.213 3.609 20 0 CHADMN Fc1ccccc1-c1nc(CN2C3CCC2CC3)co1 ZINC000625077615 1120629090 /nfs/dbraw/zinc/62/90/90/1120629090.db2.gz MDDSCHMPVDGTPK-UHFFFAOYSA-N 0 1 272.323 3.608 20 0 CHADMN CCOCCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000126016844 1120632933 /nfs/dbraw/zinc/63/29/33/1120632933.db2.gz KLGNOVCZSIILTR-UHFFFAOYSA-N 0 1 297.811 3.644 20 0 CHADMN CCOc1cc(CN2CC[C@@H]2C(C)C)cc(Cl)c1OC ZINC000538299852 1120641082 /nfs/dbraw/zinc/64/10/82/1120641082.db2.gz WUVNWDGJIRRQDK-CQSZACIVSA-N 0 1 297.826 3.978 20 0 CHADMN Cc1ccc(-c2cccc([C@H]3COCCN3)c2)cc1C ZINC000629733572 1128930221 /nfs/dbraw/zinc/93/02/21/1128930221.db2.gz YIEISNZJDRARCH-GOSISDBHSA-N 0 1 267.372 3.631 20 0 CHADMN CC(C)c1cnc(-c2cc(C(F)(F)F)n[nH]2)s1 ZINC000629729724 1128930391 /nfs/dbraw/zinc/93/03/91/1128930391.db2.gz ARTJGELZMJMUDL-UHFFFAOYSA-N 0 1 261.272 3.675 20 0 CHADMN CCO[C@H](CN1CCc2[nH]c3ccc(C)cc3c2C1)C1CC1 ZINC000625242615 1120653245 /nfs/dbraw/zinc/65/32/45/1120653245.db2.gz BDAJHDJKPWGAEK-LJQANCHMSA-N 0 1 298.430 3.650 20 0 CHADMN CC[C@@H]1CN(Cc2csc3ccccc23)C[C@@H](C)O1 ZINC000511841703 1120661299 /nfs/dbraw/zinc/66/12/99/1120661299.db2.gz FGLXPBGDMHAGPT-TZMCWYRMSA-N 0 1 275.417 3.901 20 0 CHADMN CC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000511847488 1120661671 /nfs/dbraw/zinc/66/16/71/1120661671.db2.gz ZHEYNMDVGXHQTK-RISCZKNCSA-N 0 1 287.325 3.705 20 0 CHADMN CC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000511847488 1120661670 /nfs/dbraw/zinc/66/16/70/1120661670.db2.gz ZHEYNMDVGXHQTK-RISCZKNCSA-N 0 1 287.325 3.705 20 0 CHADMN CCc1noc(CN2CC[C@H](c3ccccc3)[C@@H](CC)C2)n1 ZINC000673755120 1120668898 /nfs/dbraw/zinc/66/88/98/1120668898.db2.gz SPVUEGGWTMPPGN-HOCLYGCPSA-N 0 1 299.418 3.648 20 0 CHADMN CCC[C@@H](C)CCCN[C@H](C)c1nnc(C)s1 ZINC000625324479 1120669979 /nfs/dbraw/zinc/66/99/79/1120669979.db2.gz QKHHFVCGZUQTFU-GHMZBOCLSA-N 0 1 255.431 3.714 20 0 CHADMN CO[C@@H]1CCC[N@@H+](Cc2c(C)cc(Cl)cc2C)C1 ZINC000509135645 1120670014 /nfs/dbraw/zinc/67/00/14/1120670014.db2.gz HRMHWCFFSBMZQR-CQSZACIVSA-N 0 1 267.800 3.568 20 0 CHADMN CCc1csc(-c2ccc(F)c(CN(C)C)c2)n1 ZINC000629739068 1128932122 /nfs/dbraw/zinc/93/21/22/1128932122.db2.gz USPMDQNDIFPTLE-UHFFFAOYSA-N 0 1 264.369 3.573 20 0 CHADMN C[C@@H]1CCCC[C@H]1N(C)Cc1ccncc1Br ZINC000625357426 1120671610 /nfs/dbraw/zinc/67/16/10/1120671610.db2.gz QUZDCVREBKJWML-BXUZGUMPSA-N 0 1 297.240 3.855 20 0 CHADMN CC(C)[C@@H]1CN(Cc2nsc3ccccc32)CCCO1 ZINC000660648582 1120672422 /nfs/dbraw/zinc/67/24/22/1120672422.db2.gz ZXIOUFJYUIKZSA-HNNXBMFYSA-N 0 1 290.432 3.543 20 0 CHADMN CC[C@@H]1C[C@@H](Nc2ccc3cnccc3c2)CCO1 ZINC000651604419 1120679494 /nfs/dbraw/zinc/67/94/94/1120679494.db2.gz IFGWHCIYEQJJMD-JKSUJKDBSA-N 0 1 256.349 3.604 20 0 CHADMN CC[C@@H]1C(=O)N(c2nccc3sccc32)N=C1C(C)C ZINC000634596716 1128932847 /nfs/dbraw/zinc/93/28/47/1128932847.db2.gz OICZPJIZWXABEI-JTQLQIEISA-N 0 1 287.388 3.681 20 0 CHADMN CC(C)N(Cc1cc2cnccc2o1)Cc1ccccn1 ZINC000651621080 1120683895 /nfs/dbraw/zinc/68/38/95/1120683895.db2.gz AYTUZLXNLLJZQI-UHFFFAOYSA-N 0 1 281.359 3.633 20 0 CHADMN C[C@@H]1CCCC[C@@]1(C)NCc1nnc(C(F)(F)F)s1 ZINC000660769444 1120687125 /nfs/dbraw/zinc/68/71/25/1120687125.db2.gz YWGSUHZLDBAHEV-LDYMZIIASA-N 0 1 293.358 3.615 20 0 CHADMN C[C@@H](NC[C@@H]1CC[C@@H](c2ccccc2)C1)c1csnn1 ZINC000660805421 1120689411 /nfs/dbraw/zinc/68/94/11/1120689411.db2.gz BWUPQWJBTWYZTQ-UMVBOHGHSA-N 0 1 287.432 3.773 20 0 CHADMN CC(=O)c1ccc2c(c1)CN(C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000660802429 1120690109 /nfs/dbraw/zinc/69/01/09/1120690109.db2.gz WRMUERREWRMRLZ-UKPHBRMFSA-N 0 1 269.388 3.641 20 0 CHADMN COc1c(C)cnc(CNC(C)(C)c2cccs2)c1C ZINC000543504913 1120693783 /nfs/dbraw/zinc/69/37/83/1120693783.db2.gz DZJOLTBDAKOEBW-UHFFFAOYSA-N 0 1 290.432 3.793 20 0 CHADMN C[C@H](NCc1ccc(Cl)cn1)c1ccc2c(c1)CCO2 ZINC000182125280 1128934184 /nfs/dbraw/zinc/93/41/84/1128934184.db2.gz GWAYEWGPOAEEDV-NSHDSACASA-N 0 1 288.778 3.521 20 0 CHADMN Cc1nc(CN2CCC[C@]2(C)Cc2ccccc2F)co1 ZINC000660901454 1120698018 /nfs/dbraw/zinc/69/80/18/1120698018.db2.gz XICQITXCFWFNAU-QGZVFWFLSA-N 0 1 288.366 3.719 20 0 CHADMN c1ccc2c(CN3CC[C@H](c4cccnc4)C3)nsc2c1 ZINC000660898285 1120698197 /nfs/dbraw/zinc/69/81/97/1120698197.db2.gz CCQTZXRBKQRVRM-AWEZNQCLSA-N 0 1 295.411 3.681 20 0 CHADMN Fc1ccccc1-c1cnc(CN2C[C@@H]3CCCC[C@@H]32)o1 ZINC000660930512 1120702283 /nfs/dbraw/zinc/70/22/83/1120702283.db2.gz LYKKRXCATHDVCI-WFASDCNBSA-N 0 1 286.350 3.855 20 0 CHADMN CCCC1CCC(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC000629771245 1128934476 /nfs/dbraw/zinc/93/44/76/1128934476.db2.gz GPYPXIWDMLXKKZ-LMPOIIKSSA-N 0 1 281.440 3.636 20 0 CHADMN C[C@@H](c1nnc(-c2ccccc2)o1)N1C[C@@H]2CCCC[C@@H]21 ZINC000660928580 1120705266 /nfs/dbraw/zinc/70/52/66/1120705266.db2.gz PTFNFLHNOUCGPY-QEJZJMRPSA-N 0 1 283.375 3.672 20 0 CHADMN COC[C@H](CC(C)(C)C)N[C@H](C)c1csc(C)n1 ZINC000651702003 1120716046 /nfs/dbraw/zinc/71/60/46/1120716046.db2.gz HMTUJNKRAAKQQS-PWSUYJOCSA-N 0 1 270.442 3.553 20 0 CHADMN CCO[C@H](C)c1nc(CN(CC)[C@H](C)CC)cs1 ZINC000661105179 1120718415 /nfs/dbraw/zinc/71/84/15/1120718415.db2.gz DMWOWSWGDVUZQU-VXGBXAGGSA-N 0 1 270.442 3.861 20 0 CHADMN CCc1cccc(CN[C@@H]2CCOc3cc(OC)ccc32)c1 ZINC000651723238 1120725734 /nfs/dbraw/zinc/72/57/34/1120725734.db2.gz IOCREAZDDOWGLF-GOSISDBHSA-N 0 1 297.398 3.871 20 0 CHADMN CC(C)c1noc(CN[C@@H]2CCCC23CCCCC3)n1 ZINC000661131031 1120725991 /nfs/dbraw/zinc/72/59/91/1120725991.db2.gz YMLPNLGRARWPOG-CYBMUJFWSA-N 0 1 277.412 3.786 20 0 CHADMN CC1(C)C[C@H](N(Cc2ccccc2)Cc2cccnc2)CO1 ZINC000661193289 1120734548 /nfs/dbraw/zinc/73/45/48/1120734548.db2.gz FXUIUIVVAHPNCY-SFHVURJKSA-N 0 1 296.414 3.651 20 0 CHADMN Cc1cccnc1CN(C)CCOc1cccc(Cl)c1 ZINC000093157585 1128938134 /nfs/dbraw/zinc/93/81/34/1128938134.db2.gz YNHYJZATVRYRLF-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN COCC[C@H](NCc1cccc2c1CCC2)c1ccc(C)o1 ZINC000651756243 1120735489 /nfs/dbraw/zinc/73/54/89/1120735489.db2.gz OZOIBXKOFMSXLB-SFHVURJKSA-N 0 1 299.414 3.944 20 0 CHADMN Cc1nnc([C@@H](C)N2CCCC3(CCCC3)CC2)s1 ZINC000661231126 1120740877 /nfs/dbraw/zinc/74/08/77/1120740877.db2.gz ILFQAOGBAHGEAC-GFCCVEGCSA-N 0 1 279.453 3.954 20 0 CHADMN CC(C)(C)n1ncnc1CN1CCCC2(CCCC2)CC1 ZINC000661232076 1120740907 /nfs/dbraw/zinc/74/09/07/1120740907.db2.gz YSYFBUZCXLOBSV-UHFFFAOYSA-N 0 1 290.455 3.579 20 0 CHADMN FC(F)n1ccnc1CN1CCCC2(CCCC2)CC1 ZINC000661227930 1120741615 /nfs/dbraw/zinc/74/16/15/1120741615.db2.gz NFUUNJWVTVXFKX-UHFFFAOYSA-N 0 1 283.366 3.825 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1nc(-c2ccccc2F)no1 ZINC000661232246 1120741669 /nfs/dbraw/zinc/74/16/69/1120741669.db2.gz VTYIVEIBTVDHDH-NSHDSACASA-N 0 1 291.370 3.790 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1nc([C@@H](C)OCC(C)C)no1 ZINC000661233353 1120742674 /nfs/dbraw/zinc/74/26/74/1120742674.db2.gz YGFUMGNCSVNJPA-OLZOCXBDSA-N 0 1 297.443 3.718 20 0 CHADMN CCN(Cc1ncc(-c2ccccc2C)o1)C1CC1 ZINC000075623086 1120759895 /nfs/dbraw/zinc/75/98/95/1120759895.db2.gz KKNCKSFOQLJLES-UHFFFAOYSA-N 0 1 256.349 3.634 20 0 CHADMN C[C@H](NCC/C=C\c1ccccc1)c1cscn1 ZINC000661414097 1120763358 /nfs/dbraw/zinc/76/33/58/1120763358.db2.gz KBQWVIQMEFHBAT-QGOGUYACSA-N 0 1 258.390 3.897 20 0 CHADMN C[C@H](CCN[C@H](C)c1cscn1)OCc1ccccc1 ZINC000661418079 1120763730 /nfs/dbraw/zinc/76/37/30/1120763730.db2.gz IOAMVYMNTQJUIX-ZIAGYGMSSA-N 0 1 290.432 3.789 20 0 CHADMN CC1(C)C[C@@H](N2CC3(CCCC3)[C@@H]2c2ccco2)CO1 ZINC000661436888 1120764590 /nfs/dbraw/zinc/76/45/90/1120764590.db2.gz WPMWYVASJFSFDD-HIFRSBDPSA-N 0 1 275.392 3.764 20 0 CHADMN CCc1nocc1CNCc1cccc2ccsc21 ZINC000651863809 1120765047 /nfs/dbraw/zinc/76/50/47/1120765047.db2.gz YWLGTJVFFKZHGR-UHFFFAOYSA-N 0 1 272.373 3.742 20 0 CHADMN CCCn1c2ccccc2nc1CN1CCC12CCCC2 ZINC000651874278 1120767282 /nfs/dbraw/zinc/76/72/82/1120767282.db2.gz SISISZDVMOFNGD-UHFFFAOYSA-N 0 1 283.419 3.965 20 0 CHADMN CC(C)CC[N@@H+](Cc1nc2ccccc2o1)C1CC1 ZINC000045751814 1120768502 /nfs/dbraw/zinc/76/85/02/1120768502.db2.gz HRLODAUELJZWKD-UHFFFAOYSA-N 0 1 258.365 3.838 20 0 CHADMN COc1cc(CN[C@@H](c2ccccc2F)C(C)C)ccn1 ZINC000661483688 1120770146 /nfs/dbraw/zinc/77/01/46/1120770146.db2.gz HZSYTKKJDRZDAS-QGZVFWFLSA-N 0 1 288.366 3.716 20 0 CHADMN CC1(C)CC[C@@H](CN2CC[C@H]2c2ccc(F)cc2)O1 ZINC000661513257 1120772956 /nfs/dbraw/zinc/77/29/56/1120772956.db2.gz NHHJKXAUIDGCKE-GJZGRUSLSA-N 0 1 263.356 3.530 20 0 CHADMN CCc1ccc(CN[C@H](c2ccccc2F)[C@@H](C)O)s1 ZINC000651892567 1120772071 /nfs/dbraw/zinc/77/20/71/1120772071.db2.gz BHHJXVNRJDROGD-BZNIZROVSA-N 0 1 293.407 3.661 20 0 CHADMN CC(C)c1noc([C@H](C)N[C@@H]2Cc3ccccc3[C@@H]2C)n1 ZINC000661519624 1120774204 /nfs/dbraw/zinc/77/42/04/1120774204.db2.gz BBLBORFOIOQKQL-SLEUVZQESA-N 0 1 285.391 3.572 20 0 CHADMN CC[C@H](OCCNCc1occc1C)c1ccccc1 ZINC000651908680 1120775031 /nfs/dbraw/zinc/77/50/31/1120775031.db2.gz KYWPCRKXSRZABH-INIZCTEOSA-N 0 1 273.376 3.846 20 0 CHADMN Cc1ccccc1OCCCN1CCOc2ccccc2C1 ZINC000109316222 1120775568 /nfs/dbraw/zinc/77/55/68/1120775568.db2.gz QYGZXGGMMLKONI-UHFFFAOYSA-N 0 1 297.398 3.659 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2cccc(O)c2)c(C)o1 ZINC000093315900 1120778998 /nfs/dbraw/zinc/77/89/98/1120778998.db2.gz LNQFLNPNTODIDY-LBPRGKRZSA-N 0 1 259.349 3.795 20 0 CHADMN O=C(Nc1cccc(F)c1F)c1ccc(Cl)cc1O ZINC000040231310 1120780183 /nfs/dbraw/zinc/78/01/83/1120780183.db2.gz VUZNEUVSOCQAEJ-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN C/C=C/C[C@@H]1CCCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000629873733 1128940052 /nfs/dbraw/zinc/94/00/52/1128940052.db2.gz SXSVCPRJDIQSPJ-RDFMZFSFSA-N 0 1 297.402 3.690 20 0 CHADMN CCOc1ccc(CN[C@@H]2CCCc3nc(C)sc32)o1 ZINC000893472907 1120785662 /nfs/dbraw/zinc/78/56/62/1120785662.db2.gz QDPMIOMLRCYWMC-GFCCVEGCSA-N 0 1 292.404 3.610 20 0 CHADMN CCc1cnc(CN2CCCC(CC)(CC)C2)o1 ZINC000661678486 1120794336 /nfs/dbraw/zinc/79/43/36/1120794336.db2.gz UJTJCUCUUMUCBB-UHFFFAOYSA-N 0 1 250.386 3.639 20 0 CHADMN CCC1(CC)CCCN(Cc2nccn2C(C)C)C1 ZINC000661678476 1120794404 /nfs/dbraw/zinc/79/44/04/1120794404.db2.gz UGZHGJDQQXTDTH-UHFFFAOYSA-N 0 1 263.429 3.866 20 0 CHADMN FCC[C@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000661688037 1120795263 /nfs/dbraw/zinc/79/52/63/1120795263.db2.gz AREVPDWJQNHNQX-LLVKDONJSA-N 0 1 257.299 3.536 20 0 CHADMN Cc1cc([C@@H](C)NC2(c3ccccc3C)CCC2)nn1C ZINC000652216627 1120799898 /nfs/dbraw/zinc/79/98/98/1120799898.db2.gz AAXGDIYHJAOGFT-OAHLLOKOSA-N 0 1 283.419 3.767 20 0 CHADMN CC[C@@H]1CCCN(Cc2nc(-c3ccccc3C)no2)C1 ZINC000048058599 1120800564 /nfs/dbraw/zinc/80/05/64/1120800564.db2.gz LLQPLIJBXPDFML-CQSZACIVSA-N 0 1 285.391 3.667 20 0 CHADMN Cc1ccsc1CNCc1cccnc1OC(C)C ZINC000048068390 1120801203 /nfs/dbraw/zinc/80/12/03/1120801203.db2.gz FWRYWVKCMJVWRN-UHFFFAOYSA-N 0 1 276.405 3.529 20 0 CHADMN Cc1cc([C@H](C)NCC2(c3ccccc3F)CCC2)no1 ZINC000652220944 1120802026 /nfs/dbraw/zinc/80/20/26/1120802026.db2.gz NCRWDFXFJOUNOL-ZDUSSCGKSA-N 0 1 288.366 3.895 20 0 CHADMN C=CC(C)(C)NCc1ccccc1Br ZINC000205694548 1120807175 /nfs/dbraw/zinc/80/71/75/1120807175.db2.gz CLELBBFXAWUMDO-UHFFFAOYSA-N 0 1 254.171 3.503 20 0 CHADMN FC1(CN(CCc2ccccc2)Cc2ccncc2)CC1 ZINC000561976891 1120807371 /nfs/dbraw/zinc/80/73/71/1120807371.db2.gz VJVUHSGHGQUYOM-UHFFFAOYSA-N 0 1 284.378 3.628 20 0 CHADMN COc1cc(Cl)ncc1CN1CCC[C@H]2CCCC[C@@H]21 ZINC001141341439 1120807774 /nfs/dbraw/zinc/80/77/74/1120807774.db2.gz CBENFAVMFOXZPQ-OCCSQVGLSA-N 0 1 294.826 3.898 20 0 CHADMN COc1cc(Cl)ncc1CN1CCC[C@H]2CCC[C@H]21 ZINC001141341462 1120809784 /nfs/dbraw/zinc/80/97/84/1120809784.db2.gz CPEABYLSHZCLFK-DGCLKSJQSA-N 0 1 280.799 3.508 20 0 CHADMN CC(C)(C)OCCN1CC=C(c2c(F)cccc2F)CC1 ZINC000473148369 1120818264 /nfs/dbraw/zinc/81/82/64/1120818264.db2.gz AJOAPTZEQMRYCB-UHFFFAOYSA-N 0 1 295.373 3.869 20 0 CHADMN CCn1c(CNCc2ccc(C)s2)nc2ccccc21 ZINC000048462795 1120822808 /nfs/dbraw/zinc/82/28/08/1120822808.db2.gz ISESGJBIDOOKJA-UHFFFAOYSA-N 0 1 285.416 3.716 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000661856660 1120826151 /nfs/dbraw/zinc/82/61/51/1120826151.db2.gz JYMCVZCCTQNMOV-WOPDTQHZSA-N 0 1 269.335 3.525 20 0 CHADMN CCC(=O)[C@@H](C)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000048597051 1120834321 /nfs/dbraw/zinc/83/43/21/1120834321.db2.gz HRLXNPGVYVLJKN-MRVPVSSYSA-N 0 1 295.795 3.585 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)C2)sc1Br ZINC000511912992 1120844460 /nfs/dbraw/zinc/84/44/60/1120844460.db2.gz YMBZKTDDTGPBCP-MRVPVSSYSA-N 0 1 274.227 3.661 20 0 CHADMN C[C@H](NC(=O)c1ccc(Cl)c(O)c1)[C@H]1CCC[C@H](C)C1 ZINC001626588280 1120845399 /nfs/dbraw/zinc/84/53/99/1120845399.db2.gz COTWGRBNOISGEY-SRVKXCTJSA-N 0 1 295.810 3.990 20 0 CHADMN CC(C)OC(=O)[C@@H]1CCCN1CC/C=C\c1ccccc1 ZINC001167785553 1120847261 /nfs/dbraw/zinc/84/72/61/1120847261.db2.gz YGPIPDQTIPRJPM-KOJMWDNASA-N 0 1 287.403 3.506 20 0 CHADMN Clc1ccc(-c2nc(CN3CC[C@@H]4C[C@@H]4C3)co2)cc1 ZINC000661974131 1120850002 /nfs/dbraw/zinc/85/00/02/1120850002.db2.gz OPAKMGZLXIEGKX-CHWSQXEVSA-N 0 1 288.778 3.837 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1CC[C@H]2C[C@H]2C1 ZINC000661978645 1120850893 /nfs/dbraw/zinc/85/08/93/1120850893.db2.gz PVDVHAFBVNJEOG-RYUDHWBXSA-N 0 1 274.389 3.553 20 0 CHADMN CCCC[N@@H+](CC[C@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000652395225 1120851825 /nfs/dbraw/zinc/85/18/25/1120851825.db2.gz IBPREZDARJQJNJ-INIZCTEOSA-N 0 1 275.392 3.509 20 0 CHADMN C[C@@H]([N@@H+](C)Cc1c(Cl)cccc1C(=O)[O-])C(C)(C)C ZINC000652394638 1120852910 /nfs/dbraw/zinc/85/29/10/1120852910.db2.gz WYXDFWBCSSQCKK-SNVBAGLBSA-N 0 1 283.799 3.905 20 0 CHADMN O=C([O-])CC1(C[N@H+]2CCCCC[C@H]2c2ccccc2)CC1 ZINC000652403566 1120854424 /nfs/dbraw/zinc/85/44/24/1120854424.db2.gz WASSQFHUGMZPLF-INIZCTEOSA-N 0 1 287.403 3.859 20 0 CHADMN C[C@@H](NCc1ncc(C(C)(C)C)o1)C1CCC(F)CC1 ZINC000661999796 1120855323 /nfs/dbraw/zinc/85/53/23/1120855323.db2.gz HXSLJHIINKBKIY-PNESKVBLSA-N 0 1 282.403 3.979 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000652429246 1120861316 /nfs/dbraw/zinc/86/13/16/1120861316.db2.gz DWSOMJNWJRKRRD-UKRRQHHQSA-N 0 1 299.370 3.746 20 0 CHADMN C[C@H]1CC[N@@H+](CCCCCC(=O)[O-])[C@H](c2ccco2)C1 ZINC000652432546 1120862311 /nfs/dbraw/zinc/86/23/11/1120862311.db2.gz NUXATPVGTSKQMH-KBPBESRZSA-N 0 1 279.380 3.698 20 0 CHADMN CC(C)CC[C@@H]1CCC[N@H+]1CCCCCC(=O)[O-] ZINC000652437069 1120863036 /nfs/dbraw/zinc/86/30/36/1120863036.db2.gz ZVTAJWGWSUUVQB-AWEZNQCLSA-N 0 1 255.402 3.532 20 0 CHADMN CC1(C)C[C@H](c2ccccc2)[N@@H+](CCCCC(=O)[O-])C1 ZINC000652449963 1120865771 /nfs/dbraw/zinc/86/57/71/1120865771.db2.gz XJDANUHRVNWJAX-OAHLLOKOSA-N 0 1 275.392 3.715 20 0 CHADMN O=C([O-])CC[N@@H+](C/C=C/c1ccc(Cl)cc1)CC1CC1 ZINC000652467263 1120868105 /nfs/dbraw/zinc/86/81/05/1120868105.db2.gz QYXYUQRRIRZRPL-OWOJBTEDSA-N 0 1 293.794 3.540 20 0 CHADMN O=C([O-])C[N@@H+](CCC1CCCCC1)Cc1ccc(F)cc1 ZINC000652471534 1120869121 /nfs/dbraw/zinc/86/91/21/1120869121.db2.gz QTEIZABNDWCBNU-UHFFFAOYSA-N 0 1 293.382 3.683 20 0 CHADMN CC(C)CC1(NCc2nc(-c3ccccc3F)no2)CC1 ZINC000662073441 1120870220 /nfs/dbraw/zinc/87/02/20/1120870220.db2.gz ZPPDPHBLKYYRGD-UHFFFAOYSA-N 0 1 289.354 3.544 20 0 CHADMN O=C([O-])C[N@@H+](Cc1ccc(C(F)F)cc1)C1CCCCC1 ZINC000652481285 1120870491 /nfs/dbraw/zinc/87/04/91/1120870491.db2.gz IYMGPCQZKKKASD-UHFFFAOYSA-N 0 1 297.345 3.844 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc3c(c2)COC3)c(C)o1 ZINC000343888642 1120875845 /nfs/dbraw/zinc/87/58/45/1120875845.db2.gz DITJKNQIUPCWSU-GFCCVEGCSA-N 0 1 271.360 3.777 20 0 CHADMN CCCC1(CNC(=O)CCc2nc3cccc(C)c3[nH]2)CC1 ZINC000151995433 1120877614 /nfs/dbraw/zinc/87/76/14/1120877614.db2.gz OGXRGSMGRDUMMN-UHFFFAOYSA-N 0 1 299.418 3.500 20 0 CHADMN Fc1ccc(-c2ccc([C@H]3COCCN3)cc2)c(Cl)c1 ZINC000630060024 1128947186 /nfs/dbraw/zinc/94/71/86/1128947186.db2.gz GJEKJPIIJIEJIH-MRXNPFEDSA-N 0 1 291.753 3.807 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N(CCC1CC1)CC1CC1 ZINC000662180008 1120891768 /nfs/dbraw/zinc/89/17/68/1120891768.db2.gz WWSCCVDRLLJBHG-NSHDSACASA-N 0 1 275.396 3.520 20 0 CHADMN Cc1cnc([C@H](C)N(C)C[C@H]2CCc3ccccc32)o1 ZINC000662197435 1120895047 /nfs/dbraw/zinc/89/50/47/1120895047.db2.gz JPGGVRTZBQBAEW-DZGCQCFKSA-N 0 1 270.376 3.706 20 0 CHADMN CCCCN(CCOC)Cc1cnc(C(C)(C)C)s1 ZINC000093323063 1128947413 /nfs/dbraw/zinc/94/74/13/1128947413.db2.gz OHXVCTZNNNOZRK-UHFFFAOYSA-N 0 1 284.469 3.689 20 0 CHADMN CC1(C)CCCN(Cc2cccc(Br)n2)CC1 ZINC000310120573 1120902367 /nfs/dbraw/zinc/90/23/67/1120902367.db2.gz HZUSLRNCEBRDFO-UHFFFAOYSA-N 0 1 297.240 3.856 20 0 CHADMN COC[C@@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 ZINC000093338098 1128948000 /nfs/dbraw/zinc/94/80/00/1128948000.db2.gz FOBQHXDGCLPLKQ-LLVKDONJSA-N 0 1 288.218 3.852 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC3CC2(c2ccccc2)C3)cc1 ZINC000662231198 1120906546 /nfs/dbraw/zinc/90/65/46/1120906546.db2.gz MNJFPPTXTASVFV-UHFFFAOYSA-N 0 1 293.366 3.506 20 0 CHADMN COc1ccc(C(C)C)cc1CN(C)CC1=CCSC1 ZINC000662267260 1120914308 /nfs/dbraw/zinc/91/43/08/1120914308.db2.gz RKJLIXRCSRRFHM-UHFFFAOYSA-N 0 1 291.460 3.924 20 0 CHADMN CC1CCC([N@@H+](C)Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000062755717 1120925434 /nfs/dbraw/zinc/92/54/34/1120925434.db2.gz LWCVCJKWEDFZJF-UHFFFAOYSA-N 0 1 279.355 3.534 20 0 CHADMN COc1cc(CN[C@@]2(c3ccccc3)CC2(C)C)ccn1 ZINC000662342676 1120928796 /nfs/dbraw/zinc/92/87/96/1120928796.db2.gz JCVIKURFCQOLRB-GOSISDBHSA-N 0 1 282.387 3.505 20 0 CHADMN C[C@H]1C[C@H](c2cccnc2)N(Cc2cnn(C3CCC3)c2)C1 ZINC000893572538 1120936879 /nfs/dbraw/zinc/93/68/79/1120936879.db2.gz RWYIFTGXFJJBOF-KBXCAEBGSA-N 0 1 296.418 3.586 20 0 CHADMN Cc1cccc(NC(=O)c2c[nH]nc2-c2ccsc2)c1 ZINC000186925200 1120941668 /nfs/dbraw/zinc/94/16/68/1120941668.db2.gz NEMNHHWKUWQALO-UHFFFAOYSA-N 0 1 283.356 3.699 20 0 CHADMN COc1ccc(CN2CCC(SC)CC2)c(Cl)c1 ZINC000602726491 1120941763 /nfs/dbraw/zinc/94/17/63/1120941763.db2.gz SNQDFLJIXRQFPB-UHFFFAOYSA-N 0 1 285.840 3.676 20 0 CHADMN CCn1nccc1CNCc1ccc(C2CCCC2)cc1 ZINC000663350007 1120942956 /nfs/dbraw/zinc/94/29/56/1120942956.db2.gz XOLMNCXIFNJGJB-UHFFFAOYSA-N 0 1 283.419 3.850 20 0 CHADMN CCC(CC)(CNCc1cocn1)c1ccc(F)cc1 ZINC000663353873 1120943745 /nfs/dbraw/zinc/94/37/45/1120943745.db2.gz FWCCXVPVLQGWEG-UHFFFAOYSA-N 0 1 276.355 3.661 20 0 CHADMN CS[C@@H]1CCCC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000162584941 1120944140 /nfs/dbraw/zinc/94/41/40/1120944140.db2.gz DJIJQXHLPNFXCJ-CYBMUJFWSA-N 0 1 282.478 3.738 20 0 CHADMN CS[C@@H]1CCCCN(Cc2csc(C3CC3)n2)C1 ZINC000162584941 1120944142 /nfs/dbraw/zinc/94/41/42/1120944142.db2.gz DJIJQXHLPNFXCJ-CYBMUJFWSA-N 0 1 282.478 3.738 20 0 CHADMN Cc1cc([C@H](C)NCc2cnc3cccc(C)n23)c(C)o1 ZINC000343898846 1120945874 /nfs/dbraw/zinc/94/58/74/1120945874.db2.gz NXCALFPAFQFCDQ-ZDUSSCGKSA-N 0 1 283.375 3.703 20 0 CHADMN CCc1nocc1CN1CCC[C@@H]1c1ccc(OC)cc1 ZINC000350115496 1120949812 /nfs/dbraw/zinc/94/98/12/1120949812.db2.gz AXNWAUUFAFUEHP-QGZVFWFLSA-N 0 1 286.375 3.583 20 0 CHADMN C[C@H]1CCN(Cc2cc(C(C)(C)C)on2)C[C@H](C)C1 ZINC000554936155 1128951780 /nfs/dbraw/zinc/95/17/80/1128951780.db2.gz OJRUHGIOYWSRMJ-QWHCGFSZSA-N 0 1 264.413 3.840 20 0 CHADMN C[C@@H]1CN(Cc2cc3ccccc3s2)CC(C)(C)O1 ZINC000511975036 1120956277 /nfs/dbraw/zinc/95/62/77/1120956277.db2.gz UOJVHSOANFCATB-GFCCVEGCSA-N 0 1 275.417 3.901 20 0 CHADMN Cc1cc(CNCc2ccc(C3CCCC3)cc2)[nH]n1 ZINC000643328887 1120961943 /nfs/dbraw/zinc/96/19/43/1120961943.db2.gz WQXZJLZKTHVOOF-UHFFFAOYSA-N 0 1 269.392 3.666 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCCC1(C)C ZINC000063063678 1120963612 /nfs/dbraw/zinc/96/36/12/1120963612.db2.gz WYMLFNSEIWLOFJ-UHFFFAOYSA-N 0 1 275.392 3.662 20 0 CHADMN CC[C@@H]([NH2+]Cc1cc(N)ccn1)c1cccc(Cl)c1 ZINC000925771705 1120964429 /nfs/dbraw/zinc/96/44/29/1120964429.db2.gz NVQKBHTXUNKWCP-OAHLLOKOSA-N 0 1 275.783 3.558 20 0 CHADMN CCn1nccc1CN[C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000663467801 1120983851 /nfs/dbraw/zinc/98/38/51/1120983851.db2.gz NQAGZOBTHJDFCZ-QGZVFWFLSA-N 0 1 299.418 3.523 20 0 CHADMN C[C@H](NCc1cnccc1C(F)(F)F)c1cccc(O)c1 ZINC000663471494 1120985817 /nfs/dbraw/zinc/98/58/17/1120985817.db2.gz PZHCAWFCOZIKFQ-JTQLQIEISA-N 0 1 296.292 3.657 20 0 CHADMN C[C@H](NC1(c2ccc(F)cc2)CCCC1)c1cn(C)cn1 ZINC000925780865 1120994007 /nfs/dbraw/zinc/99/40/07/1120994007.db2.gz UESSBDAIOKRTRU-ZDUSSCGKSA-N 0 1 287.382 3.679 20 0 CHADMN c1ccc(Cc2noc([C@@H]3CC[C@H]4CCCC[C@@H]4N3)n2)cc1 ZINC000317243550 1121003751 /nfs/dbraw/zinc/00/37/51/1121003751.db2.gz ZLBJDORJJSUKCL-PMPSAXMXSA-N 0 1 297.402 3.644 20 0 CHADMN C1=C(CCNCc2nnc(C3CC3)s2)CCCCC1 ZINC000893630428 1121032427 /nfs/dbraw/zinc/03/24/27/1121032427.db2.gz MIDAYLIOJUUOJE-UHFFFAOYSA-N 0 1 277.437 3.786 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(Cl)s1)c1cn[nH]c1 ZINC000222456675 1121043649 /nfs/dbraw/zinc/04/36/49/1121043649.db2.gz SEMOXJLEKJUKSC-SFYZADRCSA-N 0 1 255.774 3.536 20 0 CHADMN CC[C@H]1CN(C2c3ccccc3-c3ccccc32)CCO1 ZINC000164524904 1121055580 /nfs/dbraw/zinc/05/55/80/1121055580.db2.gz SDCCEYMKPYPOBL-AWEZNQCLSA-N 0 1 279.383 3.867 20 0 CHADMN CC(C)CN(C(=O)[C@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000344058985 1121069184 /nfs/dbraw/zinc/06/91/84/1121069184.db2.gz IAUBDUZUFFDGLO-HNNXBMFYSA-N 0 1 297.402 3.519 20 0 CHADMN CCc1nnc([C@H](C)N2CCC[C@@H](C3CCCCC3)C2)[nH]1 ZINC001174863154 1121071455 /nfs/dbraw/zinc/07/14/55/1121071455.db2.gz HESXMJPKHMEBAI-DZGCQCFKSA-N 0 1 290.455 3.720 20 0 CHADMN C[C@H](c1cccnc1)N1Cc2ccccc2OC(C)(C)C1 ZINC000344073491 1121072288 /nfs/dbraw/zinc/07/22/88/1121072288.db2.gz PMMXAPWMORTQHR-CQSZACIVSA-N 0 1 282.387 3.816 20 0 CHADMN CCc1nc([C@H](C)N[C@H]2C[C@H](OC)C2(CC)CC)cs1 ZINC000344073670 1121072308 /nfs/dbraw/zinc/07/23/08/1121072308.db2.gz MFGHDOCCOBZMMZ-UBHSHLNASA-N 0 1 296.480 3.950 20 0 CHADMN CN(C)c1ccccc1C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000344099198 1121083931 /nfs/dbraw/zinc/08/39/31/1121083931.db2.gz ABKMJQUXSQGGIY-UHFFFAOYSA-N 0 1 290.357 3.663 20 0 CHADMN CN(C)c1ccccc1CN(C)Cc1cc(F)cc(F)c1 ZINC000344099198 1121083940 /nfs/dbraw/zinc/08/39/40/1121083940.db2.gz ABKMJQUXSQGGIY-UHFFFAOYSA-N 0 1 290.357 3.663 20 0 CHADMN COc1ccc2cc(CN3CCOCC34CCC4)ccc2c1 ZINC000093509909 1128961750 /nfs/dbraw/zinc/96/17/50/1128961750.db2.gz UBIXHBIBWWCMND-UHFFFAOYSA-N 0 1 297.398 3.603 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cc(C)oc1C ZINC000773425639 1121092541 /nfs/dbraw/zinc/09/25/41/1121092541.db2.gz ACMIQICFGXHDGZ-GFCCVEGCSA-N 0 1 258.365 3.705 20 0 CHADMN C[C@H](NCc1ccco1)c1ccc(Br)s1 ZINC000038001567 1121092725 /nfs/dbraw/zinc/09/27/25/1121092725.db2.gz YXDMPHZRVMNCLR-QMMMGPOBSA-N 0 1 286.194 3.954 20 0 CHADMN COc1ccc2c(c1)C[C@@H](NC1(C(F)F)CCCC1)CC2 ZINC000674135199 1121094260 /nfs/dbraw/zinc/09/42/60/1121094260.db2.gz FNJTYLXLWRHXMP-AWEZNQCLSA-N 0 1 295.373 3.720 20 0 CHADMN CCc1c2ccccc2oc1[C@H](C)NCc1c[nH]nc1C ZINC000038011126 1121094536 /nfs/dbraw/zinc/09/45/36/1121094536.db2.gz LNMWIKJZTCXJIO-LBPRGKRZSA-N 0 1 283.375 3.878 20 0 CHADMN CCc1cnc(CNCCc2ccc3ccccc3n2)s1 ZINC000344129361 1121097317 /nfs/dbraw/zinc/09/73/17/1121097317.db2.gz LRFKYBNOXRZRRO-UHFFFAOYSA-N 0 1 297.427 3.586 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)c1[nH]cnc1C(C)(C)C ZINC000630590776 1128962266 /nfs/dbraw/zinc/96/22/66/1128962266.db2.gz MNRRMHVEIBTKKZ-UHFFFAOYSA-N 0 1 291.782 3.921 20 0 CHADMN CN(C)Cc1ccccc1Nc1ccc2occc(=O)c2c1 ZINC001174947032 1121108621 /nfs/dbraw/zinc/10/86/21/1121108621.db2.gz VVOVNWOIPZQQDD-UHFFFAOYSA-N 0 1 294.354 3.598 20 0 CHADMN CCC[C@@H](C)NC(=O)c1c(O)cc(Cl)cc1Cl ZINC000674325187 1121119116 /nfs/dbraw/zinc/11/91/16/1121119116.db2.gz WQMZBLHAXGYUNS-SSDOTTSWSA-N 0 1 276.163 3.617 20 0 CHADMN C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@H](C)C1 ZINC000261381461 1121119395 /nfs/dbraw/zinc/11/93/95/1121119395.db2.gz DXOJADLRPRVPKH-ZIAGYGMSSA-N 0 1 288.435 3.653 20 0 CHADMN CC[C@]1(C)CC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000344210172 1121120922 /nfs/dbraw/zinc/12/09/22/1121120922.db2.gz ADLBPUOJMQMFGH-QGZVFWFLSA-N 0 1 287.382 3.633 20 0 CHADMN CC[C@]1(C)CCN(Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000344210172 1121120925 /nfs/dbraw/zinc/12/09/25/1121120925.db2.gz ADLBPUOJMQMFGH-QGZVFWFLSA-N 0 1 287.382 3.633 20 0 CHADMN COc1ccc([C@H]2CCCN2C/C=C/Cl)cc1 ZINC000054115388 1121125404 /nfs/dbraw/zinc/12/54/04/1121125404.db2.gz LUXXUMORUHAFCV-WVRVXFOWSA-N 0 1 251.757 3.585 20 0 CHADMN COc1ccc(CN(Cc2cnoc2C)C(C)(C)C)cc1 ZINC000344230691 1121126698 /nfs/dbraw/zinc/12/66/98/1121126698.db2.gz DQASWSHUROPGGO-UHFFFAOYSA-N 0 1 288.391 3.792 20 0 CHADMN Fc1ccc2nc(-c3ncc(C(F)(F)F)s3)[nH]c2c1 ZINC000432500894 1121132662 /nfs/dbraw/zinc/13/26/62/1121132662.db2.gz KIQABAYHWBIPRN-UHFFFAOYSA-N 0 1 287.241 3.844 20 0 CHADMN CCCCO[C@@H]1C[C@@H](NCc2nc(C)sc2C)C1(C)C ZINC000344298380 1121137665 /nfs/dbraw/zinc/13/76/65/1121137665.db2.gz NUVHDABYQAPCFA-HUUCEWRRSA-N 0 1 296.480 3.833 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cc(C#N)ccc1F)CC2 ZINC000090117410 1121143163 /nfs/dbraw/zinc/14/31/63/1121143163.db2.gz PJYYTGZLPPRHKS-GOSISDBHSA-N 0 1 280.346 3.783 20 0 CHADMN Cc1ncn(-c2ccc(-c3ccccc3)cc2F)c1N ZINC001175060674 1121144808 /nfs/dbraw/zinc/14/48/08/1121144808.db2.gz GRQPKFZLBGRGAU-UHFFFAOYSA-N 0 1 267.307 3.569 20 0 CHADMN COc1ccc(CNCc2nc(C)cs2)c2ccccc12 ZINC000030635926 1121145182 /nfs/dbraw/zinc/14/51/82/1121145182.db2.gz LIPRMZAKBNITOW-UHFFFAOYSA-N 0 1 298.411 3.903 20 0 CHADMN CCOc1ccc(Nc2cnc3cccc(C)n23)cc1F ZINC001175067064 1121147159 /nfs/dbraw/zinc/14/71/59/1121147159.db2.gz AGBYWUJBHWNXCD-UHFFFAOYSA-N 0 1 285.322 3.924 20 0 CHADMN COc1cc2ccnc(N3[C@H](C)CC[C@@H]3C)c2cc1OC ZINC000663711584 1121152563 /nfs/dbraw/zinc/15/25/63/1121152563.db2.gz BYLBJVZTXZJXHC-TXEJJXNPSA-N 0 1 286.375 3.629 20 0 CHADMN CCCN(Cc1n[nH]c(C(C)C)n1)c1ccc(Cl)cc1 ZINC001167859974 1121154250 /nfs/dbraw/zinc/15/42/50/1121154250.db2.gz MSICBUQZAYCZAE-UHFFFAOYSA-N 0 1 292.814 3.998 20 0 CHADMN COCC[N@@H+](CCC(=O)C(C)(C)C)[C@H](C)c1ccccc1 ZINC000753711180 1121155323 /nfs/dbraw/zinc/15/53/23/1121155323.db2.gz YIIVAQUVQBLPQI-OAHLLOKOSA-N 0 1 291.435 3.701 20 0 CHADMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](CCC1CCCCCC1)C2 ZINC000701545093 1121157928 /nfs/dbraw/zinc/15/79/28/1121157928.db2.gz BDWRKIUWANPBGR-RDJZCZTQSA-N 0 1 279.424 3.534 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701562732 1121159293 /nfs/dbraw/zinc/15/92/93/1121159293.db2.gz KOBJLIHFBMFYGZ-MKBNYLNASA-N 0 1 293.794 3.588 20 0 CHADMN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1nc(C(C)(C)C)co1 ZINC000893677979 1121161004 /nfs/dbraw/zinc/16/10/04/1121161004.db2.gz YZIJCIPMXUCTBO-VXGBXAGGSA-N 0 1 250.386 3.593 20 0 CHADMN CC[C@@H]1[C@H](C)CCN1Cc1nc(C(C)(C)C)co1 ZINC000893677979 1121161007 /nfs/dbraw/zinc/16/10/07/1121161007.db2.gz YZIJCIPMXUCTBO-VXGBXAGGSA-N 0 1 250.386 3.593 20 0 CHADMN CCOc1cc(Nc2cc(OC)c(C)cn2)ccc1F ZINC001175051670 1121160957 /nfs/dbraw/zinc/16/09/57/1121160957.db2.gz BADXKMZAIVKDJQ-UHFFFAOYSA-N 0 1 276.311 3.680 20 0 CHADMN CC[C@@H](C)CN(C)Cc1ncc(-c2ccccc2F)o1 ZINC000172800926 1121162966 /nfs/dbraw/zinc/16/29/66/1121162966.db2.gz OCIIAMYGRKABHO-GFCCVEGCSA-N 0 1 276.355 3.959 20 0 CHADMN CO[C@H](CNC1(c2c(F)cccc2F)CCC1)CC(C)C ZINC001175103472 1121166110 /nfs/dbraw/zinc/16/61/10/1121166110.db2.gz KLNVYMFJKWFFRD-ZDUSSCGKSA-N 0 1 297.389 3.995 20 0 CHADMN C[C@@H]1c2ccccc2OCCN1CCOCC1CCCC1 ZINC001167866879 1121173929 /nfs/dbraw/zinc/17/39/29/1121173929.db2.gz AXTOWAWTIYNKHJ-OAHLLOKOSA-N 0 1 289.419 3.649 20 0 CHADMN Cc1ncn(C)c1Nc1cc(C(F)(F)F)ccc1F ZINC001175076318 1121174584 /nfs/dbraw/zinc/17/45/84/1121174584.db2.gz SZPYXUWTGPASPE-UHFFFAOYSA-N 0 1 273.233 3.630 20 0 CHADMN CC[C@@H](Cc1ccccc1)N(C)Cc1c(Cl)cnn1C ZINC000187367077 1121181433 /nfs/dbraw/zinc/18/14/33/1121181433.db2.gz CSQGROVEKNYYSH-AWEZNQCLSA-N 0 1 291.826 3.527 20 0 CHADMN CCOc1ccc(Nc2ccc3nccn3c2)c(F)c1F ZINC001175151624 1121185866 /nfs/dbraw/zinc/18/58/66/1121185866.db2.gz YMUFSTBCJZNIPN-UHFFFAOYSA-N 0 1 289.285 3.755 20 0 CHADMN c1nc(CN2CC[C@@H]3C[C@@H]3C2)sc1-c1ccccc1 ZINC000661973615 1121186709 /nfs/dbraw/zinc/18/67/09/1121186709.db2.gz SXGUCAVXMRUHIV-ZIAGYGMSSA-N 0 1 270.401 3.652 20 0 CHADMN CCOc1ccc(CN[C@@]2(C)CCCc3ccccc32)nc1 ZINC000674863390 1121188710 /nfs/dbraw/zinc/18/87/10/1121188710.db2.gz JSJRKGBPWKTBPO-IBGZPJMESA-N 0 1 296.414 3.822 20 0 CHADMN CCN(CC(=O)c1c[nH]c2ccccc12)Cc1ccccc1 ZINC000062660551 1121190023 /nfs/dbraw/zinc/19/00/23/1121190023.db2.gz KLTAGGNCYFGBAU-UHFFFAOYSA-N 0 1 292.382 3.873 20 0 CHADMN Cc1ccc(OC(F)F)c(CNCc2ccc(O)cc2)c1 ZINC000674910703 1121196857 /nfs/dbraw/zinc/19/68/57/1121196857.db2.gz LMAWFLIRYVIIEU-UHFFFAOYSA-N 0 1 293.313 3.592 20 0 CHADMN C[C@H]1CN(CCCOC(C)(C)C)[C@@H](c2ccccc2)CO1 ZINC000674908797 1121196988 /nfs/dbraw/zinc/19/69/88/1121196988.db2.gz BXUYSNKHVQJRBX-DOTOQJQBSA-N 0 1 291.435 3.654 20 0 CHADMN Cc1ccc2nc(N)n(-c3cc(F)cc(OC(C)C)c3)c2c1 ZINC001175140923 1121199055 /nfs/dbraw/zinc/19/90/55/1121199055.db2.gz WLIWDCLCHVUZAC-UHFFFAOYSA-N 0 1 299.349 3.842 20 0 CHADMN COC[C@H](N[C@@H](C)c1ccccc1)c1cccc(OC)c1 ZINC000658167986 1121199546 /nfs/dbraw/zinc/19/95/46/1121199546.db2.gz ZTSKLPHQBLJEKV-KSSFIOAISA-N 0 1 285.387 3.734 20 0 CHADMN c1csc([C@H]2C[N@@H+](C[C@H]3C[C@H]3c3ccccc3)CCO2)c1 ZINC000512213816 1121203492 /nfs/dbraw/zinc/20/34/92/1121203492.db2.gz TVOBPDCSTHKHTL-IXDOHACOSA-N 0 1 299.439 3.925 20 0 CHADMN c1csc([C@H]2CN(C[C@H]3C[C@H]3c3ccccc3)CCO2)c1 ZINC000512213816 1121203498 /nfs/dbraw/zinc/20/34/98/1121203498.db2.gz TVOBPDCSTHKHTL-IXDOHACOSA-N 0 1 299.439 3.925 20 0 CHADMN CCO[C@H]1C[C@H](N(C)Cc2conc2C)C12CCCCC2 ZINC000351660028 1121204709 /nfs/dbraw/zinc/20/47/09/1121204709.db2.gz WXGDDEZVUPIGES-HOTGVXAUSA-N 0 1 292.423 3.543 20 0 CHADMN C[C@H](NCCc1ccoc1)c1nc(C(F)(F)F)cs1 ZINC000658199466 1121219817 /nfs/dbraw/zinc/21/98/17/1121219817.db2.gz KPFVUGFTPKRJLL-QMMMGPOBSA-N 0 1 290.310 3.648 20 0 CHADMN Cc1nc([C@@H]2CCN([C@H](C)c3ccccc3Cl)C2)no1 ZINC000931951143 1121222547 /nfs/dbraw/zinc/22/25/47/1121222547.db2.gz SUGMVWSCRRLPLL-ZYHUDNBSSA-N 0 1 291.782 3.582 20 0 CHADMN C[C@H]1CN(Cc2cccc(C(C)(C)C)c2)Cc2c[nH]nc21 ZINC001175211451 1121224069 /nfs/dbraw/zinc/22/40/69/1121224069.db2.gz PKEWLGZWJFKEPH-ZDUSSCGKSA-N 0 1 283.419 3.827 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(OCC(C)C)cc2)[nH]n1 ZINC000675156836 1121226334 /nfs/dbraw/zinc/22/63/34/1121226334.db2.gz IGMHCRZCSJHVHO-CQSZACIVSA-N 0 1 287.407 3.604 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2c(C3CC3)cnn2C)cc1 ZINC000658216644 1121229107 /nfs/dbraw/zinc/22/91/07/1121229107.db2.gz UEIZWISUHROVOP-CYBMUJFWSA-N 0 1 299.418 3.547 20 0 CHADMN Cc1noc(C)c1CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000094838290 1121232392 /nfs/dbraw/zinc/23/23/92/1121232392.db2.gz MUAVKDYVLABWQU-JTQLQIEISA-N 0 1 262.328 3.590 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000094952840 1121247581 /nfs/dbraw/zinc/24/75/81/1121247581.db2.gz VFJLMVVLFWEQAY-RYUDHWBXSA-N 0 1 275.371 3.588 20 0 CHADMN CSc1ccc([C@H](C)NCc2cn3ccccc3n2)cc1 ZINC000112346780 1121254605 /nfs/dbraw/zinc/25/46/05/1121254605.db2.gz SGPZCTVKEUPYOD-ZDUSSCGKSA-N 0 1 297.427 3.907 20 0 CHADMN C[C@H]1CC[N@@H+](CCSCc2ccccc2)C[C@@H]1F ZINC000619166687 1128973009 /nfs/dbraw/zinc/97/30/09/1128973009.db2.gz VDFUFCWQJBJPAE-ZFWWWQNUSA-N 0 1 267.413 3.600 20 0 CHADMN C[C@H]1CCN(CCSCc2ccccc2)C[C@@H]1F ZINC000619166687 1128973012 /nfs/dbraw/zinc/97/30/12/1128973012.db2.gz VDFUFCWQJBJPAE-ZFWWWQNUSA-N 0 1 267.413 3.600 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2CCCC(C)(C)C2)c(C)c1 ZINC000112701699 1121261597 /nfs/dbraw/zinc/26/15/97/1121261597.db2.gz FYWYPFARJLLHGQ-UHFFFAOYSA-N 0 1 288.435 3.672 20 0 CHADMN C[C@H](NCC1=CCCC1)c1nc2c(s1)CCCC2 ZINC000645861723 1121267990 /nfs/dbraw/zinc/26/79/90/1121267990.db2.gz GNMMIKSKHKCILA-NSHDSACASA-N 0 1 262.422 3.783 20 0 CHADMN CCC(=O)CCCN(C)[C@@H](C)c1ccccc1F ZINC000232843109 1121268946 /nfs/dbraw/zinc/26/89/46/1121268946.db2.gz KDLRAXCHCWGHOO-LBPRGKRZSA-N 0 1 251.345 3.578 20 0 CHADMN C[C@H](O)C[C@@H]1CCCCN1Cc1nc(C(C)(C)C)cs1 ZINC000123720783 1121271676 /nfs/dbraw/zinc/27/16/76/1121271676.db2.gz NTZYYPVLGADDRT-STQMWFEESA-N 0 1 296.480 3.566 20 0 CHADMN Fc1ccc2c(c1)nccc2NC[C@@H]1Cc2ccccc2O1 ZINC000500463644 1121282729 /nfs/dbraw/zinc/28/27/29/1121282729.db2.gz FHNCECHADJIWQX-AWEZNQCLSA-N 0 1 294.329 3.790 20 0 CHADMN Cc1ccc(Nc2ccccc2N2CCN(C)CC2)c(F)c1 ZINC001175325481 1121283557 /nfs/dbraw/zinc/28/35/57/1121283557.db2.gz QLLYNNQAJQUQEI-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN C[C@@H](NC(=O)CN1CCCCC1)c1ccc2ccccc2c1 ZINC000007780733 1121288643 /nfs/dbraw/zinc/28/86/43/1121288643.db2.gz LPQACQOIEAKDMY-OAHLLOKOSA-N 0 1 296.414 3.503 20 0 CHADMN Cc1cc(CNCc2ccc(C3CCCC3)cc2)ncn1 ZINC000643330003 1121292008 /nfs/dbraw/zinc/29/20/08/1121292008.db2.gz PZXJXYYTWFZNBO-UHFFFAOYSA-N 0 1 281.403 3.732 20 0 CHADMN CCOC[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432717764 1121295615 /nfs/dbraw/zinc/29/56/15/1121295615.db2.gz FAEXIEZFAQLFLP-JTQLQIEISA-N 0 1 293.354 3.625 20 0 CHADMN CCOC[C@H]1CCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000432717764 1121295619 /nfs/dbraw/zinc/29/56/19/1121295619.db2.gz FAEXIEZFAQLFLP-JTQLQIEISA-N 0 1 293.354 3.625 20 0 CHADMN CC[C@@H]1C[C@]1(NCc1ccccn1)c1cccc(C)c1 ZINC000500530064 1121297763 /nfs/dbraw/zinc/29/77/63/1121297763.db2.gz JWPSYGADERZPNV-CRAIPNDOSA-N 0 1 266.388 3.805 20 0 CHADMN Cc1cccc(F)c1CNCc1scnc1C1CC1 ZINC000785478617 1121301455 /nfs/dbraw/zinc/30/14/55/1121301455.db2.gz WXMMRAVKCKMHDS-UHFFFAOYSA-N 0 1 276.380 3.758 20 0 CHADMN C[C@H]1CN(Cc2c[nH]nc2C(C)(C)C)[C@@H]1c1ccccc1 ZINC000093867537 1128976522 /nfs/dbraw/zinc/97/65/22/1128976522.db2.gz IJUYHZQGWQLFRF-BBRMVZONSA-N 0 1 283.419 3.900 20 0 CHADMN CC[C@@H](NC[C@@H](O)c1ccc(C)o1)c1cc(F)ccc1F ZINC000766136147 1121307011 /nfs/dbraw/zinc/30/70/11/1121307011.db2.gz BNPREEPCIWWPSZ-HUUCEWRRSA-N 0 1 295.329 3.641 20 0 CHADMN CC1CCC(C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)CC1 ZINC000124635228 1121309929 /nfs/dbraw/zinc/30/99/29/1121309929.db2.gz LCJHSWATOGUEPB-UHFFFAOYSA-N 0 1 287.403 3.569 20 0 CHADMN CCCCOc1ccc(F)cc1Nc1ccnc(CO)c1 ZINC001211718998 1121310275 /nfs/dbraw/zinc/31/02/75/1121310275.db2.gz REJFZUIZBHEBIW-UHFFFAOYSA-N 0 1 290.338 3.636 20 0 CHADMN CC(C)OCCCN(C)Cc1nc2ccc(F)cc2s1 ZINC000432741541 1121310415 /nfs/dbraw/zinc/31/04/15/1121310415.db2.gz MKHDMMGSZFGDQU-UHFFFAOYSA-N 0 1 296.411 3.682 20 0 CHADMN Cc1cccc2c1CCC[C@H]2N[C@H](c1nccn1C)C1CC1 ZINC000658336821 1121313773 /nfs/dbraw/zinc/31/37/73/1121313773.db2.gz BUOFCWKVMMTALM-MSOLQXFVSA-N 0 1 295.430 3.847 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccc(Cl)cn2)c1C ZINC000658346835 1121317919 /nfs/dbraw/zinc/31/79/19/1121317919.db2.gz PZKYQMORVNLCRV-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@H]1CN(Cc2nc3ccc(F)cc3s2)CC[C@@H]1C ZINC000432752712 1121318749 /nfs/dbraw/zinc/31/87/49/1121318749.db2.gz OEJKWUOYYZOUJS-QWRGUYRKSA-N 0 1 278.396 3.913 20 0 CHADMN CCCCO[C@H]1C[C@@H](N(C)Cc2cncs2)C1(C)C ZINC000093898472 1128978069 /nfs/dbraw/zinc/97/80/69/1128978069.db2.gz OLZNXZRIAPYECO-KGLIPLIRSA-N 0 1 282.453 3.559 20 0 CHADMN Cn1ccc([C@@H]2CCCN(Cc3ccsc3Cl)C2)n1 ZINC000932129473 1121335045 /nfs/dbraw/zinc/33/50/45/1121335045.db2.gz BUOOBYHTTPSHOI-LLVKDONJSA-N 0 1 295.839 3.515 20 0 CHADMN Cc1cc(Nc2ccc3nccnc3c2)c2ccccc2n1 ZINC001175483324 1121339288 /nfs/dbraw/zinc/33/92/88/1121339288.db2.gz PSWHQSFLXAKCAK-UHFFFAOYSA-N 0 1 286.338 3.652 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2ncc(C(C)(C)C)o2)C1 ZINC000429580740 1121342321 /nfs/dbraw/zinc/34/23/21/1121342321.db2.gz VZLSICKALGZSMS-RYUDHWBXSA-N 0 1 250.386 3.593 20 0 CHADMN C[C@@H]1CC[C@@H](N(C)Cc2ncc(C(C)(C)C)o2)C1 ZINC000429580741 1121342722 /nfs/dbraw/zinc/34/27/22/1121342722.db2.gz VZLSICKALGZSMS-VXGBXAGGSA-N 0 1 250.386 3.593 20 0 CHADMN CO[C@@H]1CCCN(Cc2c(Cl)oc3ccccc32)C1 ZINC000351819731 1121351366 /nfs/dbraw/zinc/35/13/66/1121351366.db2.gz BEIDNWFTVZGNFM-LLVKDONJSA-N 0 1 279.767 3.697 20 0 CHADMN Cc1cnc(N=C2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC001175504470 1121351683 /nfs/dbraw/zinc/35/16/83/1121351683.db2.gz CLCKSKSTVCMWOK-UHFFFAOYSA-N 0 1 297.377 3.731 20 0 CHADMN Cc1nc2c(s1)[C@H](NCc1ccoc1C)CCC2 ZINC000675779090 1121354103 /nfs/dbraw/zinc/35/41/03/1121354103.db2.gz DMKBQNGNMLXDRU-GFCCVEGCSA-N 0 1 262.378 3.520 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc3c(s2)CCCC3)on1 ZINC000125561355 1121354425 /nfs/dbraw/zinc/35/44/25/1121354425.db2.gz QOUANQFMKGQNEA-LLVKDONJSA-N 0 1 276.405 3.774 20 0 CHADMN Cc1occc1CN[C@@H](C)c1ccc(F)cc1N(C)C ZINC000675779984 1121356442 /nfs/dbraw/zinc/35/64/42/1121356442.db2.gz UEMNRKAXBBMPOH-NSHDSACASA-N 0 1 276.355 3.644 20 0 CHADMN Cc1cc2c(ccc(N)c2F)n1-c1cc2cn[nH]c2c(C)c1 ZINC001175519378 1121359375 /nfs/dbraw/zinc/35/93/75/1121359375.db2.gz GTCICXCCCIMAHK-UHFFFAOYSA-N 0 1 294.333 3.845 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@@H](C)c1cccc(F)c1 ZINC000675808146 1121364381 /nfs/dbraw/zinc/36/43/81/1121364381.db2.gz KOFZKBYJJFOXGZ-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN COc1cc(F)c(Nc2c3cn[nH]c3ccc2C)c(F)c1 ZINC001175525844 1121364303 /nfs/dbraw/zinc/36/43/03/1121364303.db2.gz HYYVYXCOXHCKEQ-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN CC(=O)N(C)c1ccc(Nc2c3cn[nH]c3ccc2C)cc1 ZINC001175526317 1121364751 /nfs/dbraw/zinc/36/47/51/1121364751.db2.gz LAFMYAPLQHRBFU-UHFFFAOYSA-N 0 1 294.358 3.598 20 0 CHADMN Cc1ccc(O)c(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175525503 1121365844 /nfs/dbraw/zinc/36/58/44/1121365844.db2.gz FJOJVCMJAQGCKO-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ncc2ccccc2n1 ZINC001175525032 1121366673 /nfs/dbraw/zinc/36/66/73/1121366673.db2.gz HMNAGKMHUMBTPU-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(N(C)C)cc1 ZINC001175525324 1121366977 /nfs/dbraw/zinc/36/69/77/1121366977.db2.gz BFMPQACOYWKHNR-UHFFFAOYSA-N 0 1 266.348 3.681 20 0 CHADMN COc1ccc(Nc2c3cn[nH]c3ccc2C)c(C)c1 ZINC001175526254 1121368636 /nfs/dbraw/zinc/36/86/36/1121368636.db2.gz QBBFWGIDJQITRA-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1ccc(N)cc1Nc1c2cn[nH]c2ccc1C ZINC001175527580 1121370153 /nfs/dbraw/zinc/37/01/53/1121370153.db2.gz PSBBNQOZXUIFRG-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN COc1cncc(CN(C)Cc2ccc(C(C)C)cc2)c1 ZINC000675836200 1121371191 /nfs/dbraw/zinc/37/11/91/1121371191.db2.gz KYJBMFHWHYWJGG-UHFFFAOYSA-N 0 1 284.403 3.846 20 0 CHADMN COC(=O)c1ccc(F)cc1Nc1c2cn[nH]c2ccc1C ZINC001175527797 1121371386 /nfs/dbraw/zinc/37/13/86/1121371386.db2.gz WBAMCIZKBJZULH-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN CCc1cccc(O)c1Nc1c2cn[nH]c2ccc1C ZINC001175527879 1121371934 /nfs/dbraw/zinc/37/19/34/1121371934.db2.gz VNCCVHGPHGYOJP-UHFFFAOYSA-N 0 1 267.332 3.883 20 0 CHADMN Cc1scc(CNCc2cccnc2OC(C)C)c1C ZINC000631042915 1128981243 /nfs/dbraw/zinc/98/12/43/1128981243.db2.gz NMXOEKJNDSBXHU-UHFFFAOYSA-N 0 1 290.432 3.837 20 0 CHADMN CCSc1ccccc1[C@H](C)NCc1cc(C)n[nH]1 ZINC000675893752 1121376437 /nfs/dbraw/zinc/37/64/37/1121376437.db2.gz UKBLTXDRZUMTRR-LBPRGKRZSA-N 0 1 275.421 3.681 20 0 CHADMN CCSc1ccccc1[C@H](C)NCc1cc(C)[nH]n1 ZINC000675893752 1121376444 /nfs/dbraw/zinc/37/64/44/1121376444.db2.gz UKBLTXDRZUMTRR-LBPRGKRZSA-N 0 1 275.421 3.681 20 0 CHADMN CCOc1ccc(Cl)cc1[C@@H](C)NCc1cc(C)n[nH]1 ZINC000675891957 1121377141 /nfs/dbraw/zinc/37/71/41/1121377141.db2.gz GWBKQCWUPPYDBI-LLVKDONJSA-N 0 1 293.798 3.621 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1ccc2c(c1)COC2 ZINC000675895006 1121378910 /nfs/dbraw/zinc/37/89/10/1121378910.db2.gz ITDJIGYKOQZIDS-WDEREUQCSA-N 0 1 286.375 3.733 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2csc(C(C)C)n2)C1 ZINC000051532641 1121380995 /nfs/dbraw/zinc/38/09/95/1121380995.db2.gz QGEUZWJUAPGWMC-LBPRGKRZSA-N 0 1 252.427 3.889 20 0 CHADMN CC[C@H]1CCCN(Cc2csc(C(C)C)n2)C1 ZINC000051532641 1121381004 /nfs/dbraw/zinc/38/10/04/1121381004.db2.gz QGEUZWJUAPGWMC-LBPRGKRZSA-N 0 1 252.427 3.889 20 0 CHADMN CC(C)CC[C@@H]1CCC[N@H+]1Cc1nnc(C(C)(C)C)[nH]1 ZINC000432819356 1121386154 /nfs/dbraw/zinc/38/61/54/1121386154.db2.gz GSFMRMWYJYMUKB-ZDUSSCGKSA-N 0 1 278.444 3.503 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1ccnn1CC1CCC1 ZINC000631054791 1128981935 /nfs/dbraw/zinc/98/19/35/1128981935.db2.gz VRWBVEYRHPXBOD-GOSISDBHSA-N 0 1 299.393 3.599 20 0 CHADMN CCCC[C@@H](C)[C@@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000675906009 1121386785 /nfs/dbraw/zinc/38/67/85/1121386785.db2.gz QIXYCQXCQJRKHV-ZIAGYGMSSA-N 0 1 272.396 3.894 20 0 CHADMN Cc1ccc(CCC(=O)Nc2nc3cccc(C)c3[nH]2)s1 ZINC001175566496 1121388281 /nfs/dbraw/zinc/38/82/81/1121388281.db2.gz UDNYKSNWAJADDY-UHFFFAOYSA-N 0 1 299.399 3.813 20 0 CHADMN CO[C@@H](C)c1nc(CN[C@H](C)Cc2cccs2)cs1 ZINC000675930234 1121391240 /nfs/dbraw/zinc/39/12/40/1121391240.db2.gz PQXWANYDMGHMFE-MNOVXSKESA-N 0 1 296.461 3.633 20 0 CHADMN Cc1cc(Oc2ccccc2)ncc1NC1=CCCN(C)C1 ZINC001175576600 1121394388 /nfs/dbraw/zinc/39/43/88/1121394388.db2.gz JOXUOQKZYWRWRR-UHFFFAOYSA-N 0 1 295.386 3.814 20 0 CHADMN C[C@@H](c1cccc(F)c1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000675975253 1121395283 /nfs/dbraw/zinc/39/52/83/1121395283.db2.gz IFCRFEYOEXKBKU-LBPRGKRZSA-N 0 1 295.361 3.862 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cccc(O)c2)c(F)c1 ZINC000631066185 1128982507 /nfs/dbraw/zinc/98/25/07/1128982507.db2.gz ZVRQNULHFXMJFS-GFCCVEGCSA-N 0 1 259.324 3.691 20 0 CHADMN Cc1ccc2nc(CNC(=O)[C@H](C)CC(C)(C)C)[nH]c2c1 ZINC000500793302 1121400073 /nfs/dbraw/zinc/40/00/73/1121400073.db2.gz XXRFPEOQYBJALX-GFCCVEGCSA-N 0 1 287.407 3.560 20 0 CHADMN Cc1cc(CNC(C)(C)c2ccc(C(C)C)cc2)nn1C ZINC000676039085 1121400515 /nfs/dbraw/zinc/40/05/15/1121400515.db2.gz HENBWDFDSNACSX-UHFFFAOYSA-N 0 1 285.435 3.877 20 0 CHADMN C[C@@H](CC(=O)Nc1cccc(Cl)c1O)c1ccncc1 ZINC000676147954 1121408975 /nfs/dbraw/zinc/40/89/75/1121408975.db2.gz OFNAKZNMDMRICS-JTQLQIEISA-N 0 1 290.750 3.573 20 0 CHADMN Cc1cc(Nc2ccc3cn(C)nc3c2)c2ccccc2n1 ZINC001175609494 1121409816 /nfs/dbraw/zinc/40/98/16/1121409816.db2.gz NBHBNPGRZSERKZ-UHFFFAOYSA-N 0 1 288.354 3.595 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(F)cnc3Cl)cc12 ZINC001175694612 1121414447 /nfs/dbraw/zinc/41/44/47/1121414447.db2.gz TYAXJNNEJXAVOR-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN COc1nc(Cl)ccc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175695101 1121414596 /nfs/dbraw/zinc/41/45/96/1121414596.db2.gz WPWMVZAQVABENJ-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(C(F)(F)F)no3)cc12 ZINC001175694911 1121414748 /nfs/dbraw/zinc/41/47/48/1121414748.db2.gz BICYEAZAGZSLGA-UHFFFAOYSA-N 0 1 282.225 3.622 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cnnc(Cl)c3Cl)cc12 ZINC001175695182 1121414915 /nfs/dbraw/zinc/41/49/15/1121414915.db2.gz XSDLVJNUCCKSEL-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN COC(=O)c1ccc(Nc2ccc3n[nH]c(C)c3c2)c(C)c1 ZINC001175699302 1121416036 /nfs/dbraw/zinc/41/60/36/1121416036.db2.gz LZHGCOWPZFLUNT-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN CC(=O)Nc1cccc(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175698725 1121416220 /nfs/dbraw/zinc/41/62/20/1121416220.db2.gz CKNCTYGIIQNQNW-UHFFFAOYSA-N 0 1 280.331 3.573 20 0 CHADMN COc1cc(C)c(Nc2ccc3n[nH]c(C)c3c2)cc1OC ZINC001175699311 1121417004 /nfs/dbraw/zinc/41/70/04/1121417004.db2.gz MKPWJUCYJXVQDI-UHFFFAOYSA-N 0 1 297.358 3.941 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccccc3P(C)(C)=O)cc12 ZINC001175700512 1121417778 /nfs/dbraw/zinc/41/77/78/1121417778.db2.gz MXFWECUQLHOXJJ-UHFFFAOYSA-N 0 1 299.314 3.863 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4cn(C)nc43)cc12 ZINC001175700353 1121417847 /nfs/dbraw/zinc/41/78/47/1121417847.db2.gz KOQCVWZCRMZHCE-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN COCCOc1ccc(Nc2ccc3n[nH]c(C)c3c2)cc1 ZINC001175699782 1121418208 /nfs/dbraw/zinc/41/82/08/1121418208.db2.gz RQHPXWQWGIVURP-UHFFFAOYSA-N 0 1 297.358 3.640 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4c(c3)CCC4=O)cc12 ZINC001175700649 1121418237 /nfs/dbraw/zinc/41/82/37/1121418237.db2.gz QOJMRAZJYHINJQ-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4ccc(=O)[nH]c43)cc12 ZINC001175701264 1121418972 /nfs/dbraw/zinc/41/89/72/1121418972.db2.gz BXBQESQZABYBPD-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN CC(=O)Oc1ccc(Nc2ccc3n[nH]c(C)c3c2)cc1 ZINC001175701451 1121419162 /nfs/dbraw/zinc/41/91/62/1121419162.db2.gz DLPIKBJCMUISFB-UHFFFAOYSA-N 0 1 281.315 3.540 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(F)c(F)c3O)cc12 ZINC001175701340 1121419389 /nfs/dbraw/zinc/41/93/89/1121419389.db2.gz ACXHDEWWVNKCPS-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1cc([C@H](C)NCCc2csc(C(C)(C)C)n2)no1 ZINC000284902692 1121420088 /nfs/dbraw/zinc/42/00/88/1121420088.db2.gz CHUHYQQJTGTUSQ-NSHDSACASA-N 0 1 293.436 3.630 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccnn3-c3ccccc3)ccc12 ZINC001175656258 1121421513 /nfs/dbraw/zinc/42/15/13/1121421513.db2.gz CLEMVTMXSZOJTG-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(C(F)F)nc3)ccc12 ZINC001175656570 1121421531 /nfs/dbraw/zinc/42/15/31/1121421531.db2.gz ITIVQSONWJQUPY-UHFFFAOYSA-N 0 1 274.274 3.948 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccnc3Cl)ccc12 ZINC001175656456 1121421556 /nfs/dbraw/zinc/42/15/56/1121421556.db2.gz CUERBBAVPFWSKP-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN COc1ncc(Nc2ccc3c(C)[nH]nc3c2)cc1Cl ZINC001175656862 1121422078 /nfs/dbraw/zinc/42/20/78/1121422078.db2.gz KOBQGENLKKXYJO-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1[nH]nc2cc(Nc3c(Cl)ncc(C)c3N)ccc12 ZINC001175659401 1121423238 /nfs/dbraw/zinc/42/32/38/1121423238.db2.gz AADZBHNMHSJREU-UHFFFAOYSA-N 0 1 287.754 3.554 20 0 CHADMN CCc1cccnc1Nc1ccc2c(c1)n[nH]c2C ZINC001175657728 1121423534 /nfs/dbraw/zinc/42/35/34/1121423534.db2.gz XVIYJTYJUHCINI-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(O)c(F)c3F)ccc12 ZINC001175661545 1121424249 /nfs/dbraw/zinc/42/42/49/1121424249.db2.gz MFQSDGJDUIMPQY-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1cnn(CC2CCC2)c1Nc1ccc2c(C)[nH]nc2c1 ZINC001175659690 1121424289 /nfs/dbraw/zinc/42/42/89/1121424289.db2.gz GBHNQHWENCTJHH-UHFFFAOYSA-N 0 1 295.390 3.920 20 0 CHADMN Cc1[nH]nc2cc(Nc3c(O)cc(F)cc3F)ccc12 ZINC001175661387 1121424342 /nfs/dbraw/zinc/42/43/42/1121424342.db2.gz JGAOTMGFQSAEHT-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN c1ccc2c(c1)n[nH]c2CNc1cccc2ccncc21 ZINC000676325111 1121424620 /nfs/dbraw/zinc/42/46/20/1121424620.db2.gz YHDZTUYBWXCQRY-UHFFFAOYSA-N 0 1 274.327 3.723 20 0 CHADMN Cc1[nH]nc2cc(Nc3ncnc4sccc43)ccc12 ZINC001175660378 1121424643 /nfs/dbraw/zinc/42/46/43/1121424643.db2.gz XQZOQQBAQKQNES-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4cnn(C)c4c3)ccc12 ZINC001175661599 1121425110 /nfs/dbraw/zinc/42/51/10/1121425110.db2.gz OJUMGZJJZDTBID-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN CC(=O)Nc1ccc(Nc2ccc3c(C)[nH]nc3c2)cc1 ZINC001175662365 1121426030 /nfs/dbraw/zinc/42/60/30/1121426030.db2.gz ITFGTUREDFEZIU-UHFFFAOYSA-N 0 1 280.331 3.573 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc(-n4ccnc4)c3)ccc12 ZINC001175661934 1121426068 /nfs/dbraw/zinc/42/60/68/1121426068.db2.gz WZYDVFMGLYKOQN-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(F)c(O)c(F)c3)ccc12 ZINC001175662433 1121426231 /nfs/dbraw/zinc/42/62/31/1121426231.db2.gz LURRDMUIYKWFJT-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc(-c4nnco4)c3)ccc12 ZINC001175662399 1121426370 /nfs/dbraw/zinc/42/63/70/1121426370.db2.gz KJCFWGQYASWAQW-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4c(c3)N(C)CCC4)ccc21 ZINC001175662322 1121426455 /nfs/dbraw/zinc/42/64/55/1121426455.db2.gz GNUXWZQUHBPBPE-UHFFFAOYSA-N 0 1 292.386 3.997 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4c(c3)CCO4)ccc21 ZINC001175662757 1121427886 /nfs/dbraw/zinc/42/78/86/1121427886.db2.gz YZSOFKCDGYZCMX-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cnn(C(C)(C)C)c2)c1 ZINC000432885168 1121431960 /nfs/dbraw/zinc/43/19/60/1121431960.db2.gz KEFDVPXNYGRMSX-UHFFFAOYSA-N 0 1 285.435 3.887 20 0 CHADMN CCO[C@H]1CCCN(Cc2cc(C)ccc2OC(F)F)C1 ZINC000676413482 1121432337 /nfs/dbraw/zinc/43/23/37/1121432337.db2.gz ANRKWOJBXCRDGQ-AWEZNQCLSA-N 0 1 299.361 3.597 20 0 CHADMN C[C@@H]1CN(Cc2ccc3oc(=O)oc3c2)Cc2ccccc21 ZINC000893904575 1121436490 /nfs/dbraw/zinc/43/64/90/1121436490.db2.gz AYHOTJLXQJRAEU-GFCCVEGCSA-N 0 1 295.338 3.505 20 0 CHADMN CCc1cnc(CCN[C@@H](C)c2nc(C)sc2C)s1 ZINC000676492601 1121438397 /nfs/dbraw/zinc/43/83/97/1121438397.db2.gz NSQKXUGEJVRJFS-VIFPVBQESA-N 0 1 295.477 3.672 20 0 CHADMN CN(Cc1ccsc1)Cc1cccc2c1NCCC2 ZINC000893912102 1121439470 /nfs/dbraw/zinc/43/94/70/1121439470.db2.gz RIJGKARCUXDIGE-UHFFFAOYSA-N 0 1 272.417 3.738 20 0 CHADMN Cc1[nH]nc(CN(C)Cc2ccccc2C(F)(F)F)c1C ZINC000893919213 1121439675 /nfs/dbraw/zinc/43/96/75/1121439675.db2.gz IZXXSRLKMRBJSV-UHFFFAOYSA-N 0 1 297.324 3.677 20 0 CHADMN C[C@@H](N[C@H]1c2ccccc2CCC1(C)C)c1cn(C)cn1 ZINC000925926539 1121440862 /nfs/dbraw/zinc/44/08/62/1121440862.db2.gz SSKNJHLDGNHMIZ-DYVFJYSZSA-N 0 1 283.419 3.784 20 0 CHADMN C[C@@H](c1ccco1)N(C)Cc1cccc2c1NCCC2 ZINC000893931690 1121441498 /nfs/dbraw/zinc/44/14/98/1121441498.db2.gz RFYAECSREJIKNO-ZDUSSCGKSA-N 0 1 270.376 3.831 20 0 CHADMN COc1cccc(CNCc2ccc(C(F)F)nc2)c1C ZINC000631177450 1128989614 /nfs/dbraw/zinc/98/96/14/1128989614.db2.gz AZNCTOHDAJKWCW-UHFFFAOYSA-N 0 1 292.329 3.626 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1ocnc1C ZINC000893945695 1121444248 /nfs/dbraw/zinc/44/42/48/1121444248.db2.gz KCECZZGUCVORFZ-INIZCTEOSA-N 0 1 286.375 3.501 20 0 CHADMN Cc1noc2ncc(CN(C)[C@@H](C)c3cccs3)cc12 ZINC000893947500 1121445297 /nfs/dbraw/zinc/44/52/97/1121445297.db2.gz VWCUDLNDWKZYGD-NSHDSACASA-N 0 1 287.388 3.786 20 0 CHADMN CC(C)c1c[nH]c(CN2CC[C@@H](c3ccccc3)C2)n1 ZINC000893946547 1121445543 /nfs/dbraw/zinc/44/55/43/1121445543.db2.gz CWRHMRYXJZLEPC-OAHLLOKOSA-N 0 1 269.392 3.523 20 0 CHADMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cnccc1C ZINC000676591590 1121447063 /nfs/dbraw/zinc/44/70/63/1121447063.db2.gz VTRLRDLOVWKYCY-SFHVURJKSA-N 0 1 266.388 3.899 20 0 CHADMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cnccc1C ZINC000676591588 1121447442 /nfs/dbraw/zinc/44/74/42/1121447442.db2.gz VTRLRDLOVWKYCY-GOSISDBHSA-N 0 1 266.388 3.899 20 0 CHADMN Fc1ccc(OC(F)(F)F)cc1CN1C2CCC1CC2 ZINC001143545195 1121448164 /nfs/dbraw/zinc/44/81/64/1121448164.db2.gz RQDJWBPMKUYHQG-UHFFFAOYSA-N 0 1 289.272 3.851 20 0 CHADMN Cc1cc(C)c(/C=C\CN[C@@H](C)c2nccn2C)cc1C ZINC000631177692 1128989910 /nfs/dbraw/zinc/98/99/10/1128989910.db2.gz QBLSSKXPTIVJBH-WLMCBFPDSA-N 0 1 283.419 3.709 20 0 CHADMN FC(F)[C@@H]1CCN(Cc2cc3ccccc3nc2Cl)C1 ZINC000707169419 1121451856 /nfs/dbraw/zinc/45/18/56/1121451856.db2.gz WSNTUAKDAXTTRO-LLVKDONJSA-N 0 1 296.748 3.975 20 0 CHADMN C[C@@H](c1ccco1)N(C[C@@H]1COc2ccccc2O1)C1CC1 ZINC000676705364 1121457568 /nfs/dbraw/zinc/45/75/68/1121457568.db2.gz OSJGEASKQKXPQQ-DZGCQCFKSA-N 0 1 299.370 3.645 20 0 CHADMN Cc1ncoc1C[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000894087404 1121467770 /nfs/dbraw/zinc/46/77/70/1121467770.db2.gz YVGWNYMIFYIUDF-GOSISDBHSA-N 0 1 284.403 3.828 20 0 CHADMN Cc1coc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000894087944 1121468003 /nfs/dbraw/zinc/46/80/03/1121468003.db2.gz IAUNSHCRSGKPSQ-UKRRQHHQSA-N 0 1 291.416 3.738 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000132669578 1121468409 /nfs/dbraw/zinc/46/84/09/1121468409.db2.gz HMOUJNJMVOXLTG-UONOGXRCSA-N 0 1 269.429 3.778 20 0 CHADMN C[C@@H](CC1CCCCC1)NCc1nnc(C2CC2)s1 ZINC000894077820 1121468455 /nfs/dbraw/zinc/46/84/55/1121468455.db2.gz HEJLRSSTBQYJBT-NSHDSACASA-N 0 1 279.453 3.864 20 0 CHADMN Nc1nc2ccccc2n1-c1ccc(-c2ccccc2)nc1 ZINC001175832592 1121469610 /nfs/dbraw/zinc/46/96/10/1121469610.db2.gz HHCHBCKHQQGSEV-UHFFFAOYSA-N 0 1 286.338 3.670 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000385251191 1128986469 /nfs/dbraw/zinc/98/64/69/1128986469.db2.gz NTSISLZCZFNLFH-ZQIUZPCESA-N 0 1 289.419 3.914 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)C(C)(C)C)c1cn(C)cn1 ZINC000709928257 1121471825 /nfs/dbraw/zinc/47/18/25/1121471825.db2.gz MYARCJGZIMDONA-XJKSGUPXSA-N 0 1 271.408 3.858 20 0 CHADMN C[C@@H]1c2ccc(F)cc2CCN1C[C@@H]1CC2(CCC2)CO1 ZINC001175883165 1121476229 /nfs/dbraw/zinc/47/62/29/1121476229.db2.gz RBHZSYJUKYXGNW-CJNGLKHVSA-N 0 1 289.394 3.704 20 0 CHADMN C[C@@H]1CCC(=Cc2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000545726501 1121481464 /nfs/dbraw/zinc/48/14/64/1121481464.db2.gz UHPIBCWFGHLDTN-PAKSIRSJSA-N 0 1 280.331 3.816 20 0 CHADMN CC(C)c1cccc(NC(=O)CN2C[C@H](C)C[C@@H](C)C2)c1 ZINC000028905092 1121481710 /nfs/dbraw/zinc/48/17/10/1121481710.db2.gz VVKQWXFWPSDCSB-HUUCEWRRSA-N 0 1 288.435 3.726 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000432938047 1121486998 /nfs/dbraw/zinc/48/69/98/1121486998.db2.gz MENQNCWYYGMEPT-HNNXBMFYSA-N 0 1 298.434 3.748 20 0 CHADMN Cc1cc(C)c(C=CCNCc2n[nH]c(C(C)C)n2)cc1C ZINC000631150356 1128987492 /nfs/dbraw/zinc/98/74/92/1128987492.db2.gz ZRYFPQVBURGETI-VOTSOKGWSA-N 0 1 298.434 3.656 20 0 CHADMN COCC[C@H]1CCCC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000512609586 1121491255 /nfs/dbraw/zinc/49/12/55/1121491255.db2.gz NSHUGXDNEMWRTI-CYBMUJFWSA-N 0 1 297.826 3.684 20 0 CHADMN C[C@@H](NCCc1ccc(C(C)(C)C)cc1)c1ccon1 ZINC000563487520 1121493864 /nfs/dbraw/zinc/49/38/64/1121493864.db2.gz RLTRMSYDULMPMU-CYBMUJFWSA-N 0 1 272.392 3.865 20 0 CHADMN Fc1cccc(CN2CC[C@H]3CC[C@@H](C2)S3)c1Cl ZINC000625776972 1121494958 /nfs/dbraw/zinc/49/49/58/1121494958.db2.gz VPTMTJPDSLBLOY-NEPJUHHUSA-N 0 1 285.815 3.949 20 0 CHADMN CCCc1ccc(CNCc2cc(C3CC3)nn2C)cc1 ZINC000922948676 1121496179 /nfs/dbraw/zinc/49/61/79/1121496179.db2.gz JSBYFYIGLWCSKF-UHFFFAOYSA-N 0 1 283.419 3.540 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@H](CSC)C2)cc1Cl ZINC000429272794 1121497341 /nfs/dbraw/zinc/49/73/41/1121497341.db2.gz KWUVIRCRZODIIG-ZDUSSCGKSA-N 0 1 299.867 3.924 20 0 CHADMN CCc1nocc1CN1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000508810704 1121498477 /nfs/dbraw/zinc/49/84/77/1121498477.db2.gz IUUKSLAFOBLCJB-SJKOYZFVSA-N 0 1 288.366 3.959 20 0 CHADMN CC(C)(C)c1coc(CNCC[C@@H]2CCC3(CCC3)O2)n1 ZINC000922968757 1121501285 /nfs/dbraw/zinc/50/12/85/1121501285.db2.gz PMMMOKBDEPXDHW-ZDUSSCGKSA-N 0 1 292.423 3.554 20 0 CHADMN Cc1scc(CN[C@@H](c2ccccc2F)[C@@H](C)O)c1C ZINC000631167684 1128988406 /nfs/dbraw/zinc/98/84/06/1128988406.db2.gz QBBYQTMFIYVMKG-BDJLRTHQSA-N 0 1 293.407 3.716 20 0 CHADMN CCc1onc(C)c1CNC/C=C\c1ccc(F)cc1F ZINC000922983786 1121503219 /nfs/dbraw/zinc/50/32/19/1121503219.db2.gz QPOXRWCGZRSOPW-PLNGDYQASA-N 0 1 292.329 3.627 20 0 CHADMN COCCCCN(C)Cc1ccc(Cl)cc1Cl ZINC000509278526 1121507130 /nfs/dbraw/zinc/50/71/30/1121507130.db2.gz YUSGBKIBVQPINP-UHFFFAOYSA-N 0 1 276.207 3.852 20 0 CHADMN CC[C@@H](N[C@@H](CC)c1ccc(C)cc1)c1ccn(C)n1 ZINC000543601001 1121508876 /nfs/dbraw/zinc/50/88/76/1121508876.db2.gz UOCGTOJWRAXCIW-JKSUJKDBSA-N 0 1 271.408 3.921 20 0 CHADMN CCCc1c(C)[n-]n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000614184624 1121509484 /nfs/dbraw/zinc/50/94/84/1121509484.db2.gz BHNUBWJZLCXEJD-GFCCVEGCSA-N 0 1 284.281 3.844 20 0 CHADMN CCCc1c(C)[nH]n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000614184624 1121509490 /nfs/dbraw/zinc/50/94/90/1121509490.db2.gz BHNUBWJZLCXEJD-GFCCVEGCSA-N 0 1 284.281 3.844 20 0 CHADMN O=c1cc(-c2ccc(Cl)cc2)[nH]n1-c1ccc(F)cc1 ZINC000614184599 1121510289 /nfs/dbraw/zinc/51/02/89/1121510289.db2.gz AIUKEOGSSMBCKU-UHFFFAOYSA-N 0 1 288.709 3.620 20 0 CHADMN CCCc1c(C)[nH]n(-c2ccc(Br)cc2)c1=O ZINC000614185812 1121514089 /nfs/dbraw/zinc/51/40/89/1121514089.db2.gz RKFJFWZBJUDCDT-LBPRGKRZSA-N 0 1 295.180 3.588 20 0 CHADMN Clc1sccc1CNC1([C@@H]2CCCCO2)CC1 ZINC000923031809 1121515795 /nfs/dbraw/zinc/51/57/95/1121515795.db2.gz YFNLXZHRVAWRML-NSHDSACASA-N 0 1 271.813 3.593 20 0 CHADMN CCCc1cc(=O)n(Cc2cccc(C(F)(F)F)c2)[nH]1 ZINC000614186528 1121516212 /nfs/dbraw/zinc/51/62/12/1121516212.db2.gz BIHJXZOTJFFOBU-UHFFFAOYSA-N 0 1 284.281 3.594 20 0 CHADMN OCc1cc(Nc2ccc(F)c3ccccc23)ccn1 ZINC001175954596 1121517742 /nfs/dbraw/zinc/51/77/42/1121517742.db2.gz UICJOVCWURVGOY-UHFFFAOYSA-N 0 1 268.291 3.610 20 0 CHADMN CC(C)[C@H]1CCN1Cc1nc2ccc(F)cc2s1 ZINC000433014583 1121517753 /nfs/dbraw/zinc/51/77/53/1121517753.db2.gz FJVJQJXMDXKJIC-GFCCVEGCSA-N 0 1 264.369 3.666 20 0 CHADMN Fc1cc(F)c(Nc2ccc3nn[nH]c3c2)c(Cl)c1 ZINC001176002673 1121520208 /nfs/dbraw/zinc/52/02/08/1121520208.db2.gz QOQXRDQGFYKNSZ-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN Fc1cc(F)c(Nc2ccc3n[nH]nc3c2)c(Cl)c1 ZINC001176002673 1121520212 /nfs/dbraw/zinc/52/02/12/1121520212.db2.gz QOQXRDQGFYKNSZ-UHFFFAOYSA-N 0 1 280.665 3.633 20 0 CHADMN CC[C@H](N[C@H](c1ccccc1C)C1CC1)c1ccn(C)n1 ZINC000544567624 1121520670 /nfs/dbraw/zinc/52/06/70/1121520670.db2.gz DRNYOIDNELOTOF-WMZOPIPTSA-N 0 1 283.419 3.921 20 0 CHADMN C[C@H]1CC2(CCC2)CN1Cc1ncccc1C(F)(F)F ZINC000433020676 1121520682 /nfs/dbraw/zinc/52/06/82/1121520682.db2.gz DDIGOWVLPNTKKS-NSHDSACASA-N 0 1 284.325 3.865 20 0 CHADMN CCCc1nc(CN[C@]2(CO)CCCC(C)(C)C2)cs1 ZINC000625834330 1121521356 /nfs/dbraw/zinc/52/13/56/1121521356.db2.gz LQKHBJKVPLZJMP-MRXNPFEDSA-N 0 1 296.480 3.517 20 0 CHADMN Oc1ccc(Cl)c(Nc2ccc3nn[nH]c3c2)c1Cl ZINC001176004483 1121521431 /nfs/dbraw/zinc/52/14/31/1121521431.db2.gz OHNKAEQFUPRINJ-UHFFFAOYSA-N 0 1 295.129 3.714 20 0 CHADMN Clc1ccc(Nc2ccc3nn[nH]c3c2)c2cccnc12 ZINC001176005077 1121521466 /nfs/dbraw/zinc/52/14/66/1121521466.db2.gz TZJFUYJYHWJMSK-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1ccc(Nc2ccc3n[nH]nc3c2)c2cccnc12 ZINC001176005077 1121521470 /nfs/dbraw/zinc/52/14/70/1121521470.db2.gz TZJFUYJYHWJMSK-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Fc1cc(Br)c(Cl)c(Nc2ncc[nH]2)c1 ZINC001176090971 1121536649 /nfs/dbraw/zinc/53/66/49/1121536649.db2.gz TZGSRKYNFZZHIB-UHFFFAOYSA-N 0 1 290.523 3.708 20 0 CHADMN Cc1ccc(C)c(CN(C)[C@H](C)C(=O)Nc2ccccc2)c1 ZINC000429310205 1121522033 /nfs/dbraw/zinc/52/20/33/1121522033.db2.gz OQEVWYQZLUNSNR-MRXNPFEDSA-N 0 1 296.414 3.762 20 0 CHADMN FC(F)c1ccccc1Nc1ccc2nn[nH]c2c1 ZINC001176006293 1121522046 /nfs/dbraw/zinc/52/20/46/1121522046.db2.gz ZTSXCCRYXSMIEW-UHFFFAOYSA-N 0 1 260.247 3.639 20 0 CHADMN FC(F)c1ccccc1Nc1ccc2n[nH]nc2c1 ZINC001176006293 1121522054 /nfs/dbraw/zinc/52/20/54/1121522054.db2.gz ZTSXCCRYXSMIEW-UHFFFAOYSA-N 0 1 260.247 3.639 20 0 CHADMN Cc1ccc(Nc2ccc3nn[nH]c3c2)c2cccnc12 ZINC001176002753 1121522193 /nfs/dbraw/zinc/52/21/93/1121522193.db2.gz VBVFLXHYUQSUTO-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1ccc(Nc2ccc3n[nH]nc3c2)c2cccnc12 ZINC001176002753 1121522199 /nfs/dbraw/zinc/52/21/99/1121522199.db2.gz VBVFLXHYUQSUTO-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN CC(=O)N1CCC(=Nc2cc(-c3ccccc3)cs2)CC1 ZINC001176029431 1121526058 /nfs/dbraw/zinc/52/60/58/1121526058.db2.gz UPEFSZBFEQHHCI-UHFFFAOYSA-N 0 1 298.411 3.963 20 0 CHADMN C[C@@H](NC[C@@H]1CCC2(CCC2)O1)c1c(F)cccc1F ZINC000711470601 1121535308 /nfs/dbraw/zinc/53/53/08/1121535308.db2.gz BHCPVSKLZAPTKI-NEPJUHHUSA-N 0 1 281.346 3.717 20 0 CHADMN CC(C)(C)COc1cccc(F)c1Nc1ncc[nH]1 ZINC001176090277 1121536621 /nfs/dbraw/zinc/53/66/21/1121536621.db2.gz AWOPODHCJXVUTB-UHFFFAOYSA-N 0 1 263.316 3.717 20 0 CHADMN Cc1ccn2c(CN3CCc4cccc(C)c4C3)cnc2c1 ZINC000433052588 1121538906 /nfs/dbraw/zinc/53/89/06/1121538906.db2.gz MWRFTOHHBQOOLF-UHFFFAOYSA-N 0 1 291.398 3.509 20 0 CHADMN C[C@@H]1C[C@H](NCc2csc(-c3ccsc3)n2)[C@H](C)O1 ZINC000631220394 1128992500 /nfs/dbraw/zinc/99/25/00/1128992500.db2.gz SFXVXBBOXMINCR-NRUUGDAUSA-N 0 1 294.445 3.527 20 0 CHADMN Cc1ccoc1C[N@@H+](C)CCCOCCc1ccccc1 ZINC000429367752 1121547234 /nfs/dbraw/zinc/54/72/34/1121547234.db2.gz UNBCZPOLDUVBHN-UHFFFAOYSA-N 0 1 287.403 3.669 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cc(-c3ccccc3)n[nH]2)s1 ZINC000631223629 1128992975 /nfs/dbraw/zinc/99/29/75/1128992975.db2.gz DLRIYPWOMGUNSO-LLVKDONJSA-N 0 1 298.415 3.692 20 0 CHADMN Cc1ccoc1CN(C)CCO[C@@H]1CCCC[C@H]1C ZINC000429374426 1121552465 /nfs/dbraw/zinc/55/24/65/1121552465.db2.gz COYRCWVXCPYFQI-UKRRQHHQSA-N 0 1 265.397 3.615 20 0 CHADMN Cc1c(COC(C)(C)C)cccc1NCc1cnc[nH]1 ZINC000894111826 1121553995 /nfs/dbraw/zinc/55/39/95/1121553995.db2.gz JIEDHAARQIWKMW-UHFFFAOYSA-N 0 1 273.380 3.645 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cnc(-c3ccccc3)[nH]2)s1 ZINC000631224170 1128993221 /nfs/dbraw/zinc/99/32/21/1128993221.db2.gz OXROCTHGEDIVCK-LLVKDONJSA-N 0 1 298.415 3.692 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)CN(CCCCF)CC3 ZINC000671684472 1121554525 /nfs/dbraw/zinc/55/45/25/1121554525.db2.gz DDWPHFSDFNGESP-UHFFFAOYSA-N 0 1 260.356 3.584 20 0 CHADMN CCCOc1ccc(C(F)(F)F)cc1NCc1cnc[nH]1 ZINC000894116022 1121561589 /nfs/dbraw/zinc/56/15/89/1121561589.db2.gz MTAFSRORHORIRK-UHFFFAOYSA-N 0 1 299.296 3.829 20 0 CHADMN CC[C@H](COc1ccccc1-c1nnc[nH]1)CC(F)F ZINC000663989490 1121563464 /nfs/dbraw/zinc/56/34/64/1121563464.db2.gz QAJHAELOYVRTPO-JTQLQIEISA-N 0 1 281.306 3.532 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccc(C)cc2F)s1 ZINC000631229223 1128993860 /nfs/dbraw/zinc/99/38/60/1128993860.db2.gz VBBGORZIDMLGNW-JTQLQIEISA-N 0 1 264.369 3.750 20 0 CHADMN CC(C)COc1ccc(NCc2cnc[nH]2)cc1Cl ZINC000894119069 1121566256 /nfs/dbraw/zinc/56/62/56/1121566256.db2.gz BYIOSUNDCIBKAD-UHFFFAOYSA-N 0 1 279.771 3.710 20 0 CHADMN C[C@H]1CC(F)(F)CCN1CCc1c(F)cccc1F ZINC000625981253 1121567521 /nfs/dbraw/zinc/56/75/21/1121567521.db2.gz LXWJWOIPPUGFQN-JTQLQIEISA-N 0 1 275.289 3.627 20 0 CHADMN C[C@@H](c1cccc2ccccc21)N1CCO[C@@H](CCF)C1 ZINC000626002049 1121572117 /nfs/dbraw/zinc/57/21/17/1121572117.db2.gz FJVILVQDEVLJLE-HOCLYGCPSA-N 0 1 287.378 3.961 20 0 CHADMN Cc1ccc2ccccc2c1CN1CCO[C@H](CCF)C1 ZINC000626003303 1121573199 /nfs/dbraw/zinc/57/31/99/1121573199.db2.gz FXVGFOQUMPJBKR-MRXNPFEDSA-N 0 1 287.378 3.709 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000923470291 1121574774 /nfs/dbraw/zinc/57/47/74/1121574774.db2.gz LSJBIEVJTUTDSZ-VYDXJSESSA-N 0 1 281.440 3.780 20 0 CHADMN CCC[C@H](NCc1nccn1C1CC1)c1ccccc1 ZINC000711801734 1121577216 /nfs/dbraw/zinc/57/72/16/1121577216.db2.gz RAZAPNASWCFABQ-INIZCTEOSA-N 0 1 269.392 3.849 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N2CCC[C@@H](C)C2)n1 ZINC000466729945 1121578798 /nfs/dbraw/zinc/57/87/98/1121578798.db2.gz CNDBWNQUVGAORA-OCCSQVGLSA-N 0 1 285.391 3.838 20 0 CHADMN c1nc(CN[C@@H]2C[C@@H](Sc3ccccc3)C2)cs1 ZINC000631252272 1128994883 /nfs/dbraw/zinc/99/48/83/1128994883.db2.gz PVCQLNMCMYWTJQ-YEORSEQZSA-N 0 1 276.430 3.556 20 0 CHADMN CS[C@@H]1CCCCN(Cc2ncoc2C(C)C)C1 ZINC000092806232 1121582749 /nfs/dbraw/zinc/58/27/49/1121582749.db2.gz ZMCOFTKQIRXZGN-GFCCVEGCSA-N 0 1 268.426 3.516 20 0 CHADMN Oc1cccc2c1CCN(Cc1ccc(C(F)F)cc1)C2 ZINC000626028519 1121584312 /nfs/dbraw/zinc/58/43/12/1121584312.db2.gz MOVLJUZLSHOKAN-UHFFFAOYSA-N 0 1 289.325 3.888 20 0 CHADMN COC(=O)[C@H](CC(C)C)NC(CC(C)C)CC(C)C ZINC000036980083 1121585598 /nfs/dbraw/zinc/58/55/98/1121585598.db2.gz XKVZOJYOQGGCJD-HNNXBMFYSA-N 0 1 271.445 3.625 20 0 CHADMN CC(C)SCCN[C@H](c1ccccc1)c1ccccn1 ZINC000283216626 1121599085 /nfs/dbraw/zinc/59/90/85/1121599085.db2.gz SKIUKFJDXVMQLA-QGZVFWFLSA-N 0 1 286.444 3.902 20 0 CHADMN CO[C@@]1(C(F)(F)F)CCCN(C/C=C\c2ccccc2)C1 ZINC000682042258 1121600006 /nfs/dbraw/zinc/60/00/06/1121600006.db2.gz VEFUFIJPUDBWBM-ZHMISCPASA-N 0 1 299.336 3.743 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CC[C@H](COC(F)F)C1 ZINC000512797930 1121604207 /nfs/dbraw/zinc/60/42/07/1121604207.db2.gz RRJPAYVQEGLSBZ-UWVGGRQHSA-N 0 1 291.288 3.587 20 0 CHADMN CC(C)Oc1ncccc1CNCc1ccc2[nH]ccc2c1 ZINC000318512222 1121605873 /nfs/dbraw/zinc/60/58/73/1121605873.db2.gz OFBOWQXVZGBVMP-UHFFFAOYSA-N 0 1 295.386 3.640 20 0 CHADMN C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000318984280 1121606113 /nfs/dbraw/zinc/60/61/13/1121606113.db2.gz JHCRTUPKRFNNFO-IJEWVQPXSA-N 0 1 297.398 3.943 20 0 CHADMN CCc1ccc2ccccc2c1CN1CCC[C@@H]1C(=O)OC ZINC001176365167 1121615400 /nfs/dbraw/zinc/61/54/00/1121615400.db2.gz MGSXDHFFWKAHDM-GOSISDBHSA-N 0 1 297.398 3.540 20 0 CHADMN COc1cc(CNCc2scnc2C2CC2)ccc1C ZINC000486976024 1121617803 /nfs/dbraw/zinc/61/78/03/1121617803.db2.gz YOCLWANJWKDAEV-UHFFFAOYSA-N 0 1 288.416 3.627 20 0 CHADMN Fc1cc(F)cc(CNCc2scnc2C2CC2)c1 ZINC000486980487 1121618029 /nfs/dbraw/zinc/61/80/29/1121618029.db2.gz JMLDXHOWSOBWOO-UHFFFAOYSA-N 0 1 280.343 3.589 20 0 CHADMN Fc1ccc(C2(NCc3scnc3C3CC3)CC2)cc1 ZINC000487272460 1121618047 /nfs/dbraw/zinc/61/80/47/1121618047.db2.gz HYSQOIYQRWHFGP-UHFFFAOYSA-N 0 1 288.391 3.939 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1N[C@H]1CCOC1 ZINC000512865924 1121627365 /nfs/dbraw/zinc/62/73/65/1121627365.db2.gz WNVCIRLFDBOHSZ-HNNXBMFYSA-N 0 1 274.408 3.576 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)N1CCC(C2(O)CC2)CC1 ZINC000649674490 1128998470 /nfs/dbraw/zinc/99/84/70/1128998470.db2.gz UJCAARQFIYBWKC-NSHDSACASA-N 0 1 297.801 3.777 20 0 CHADMN C/C(=C/c1ccccc1)CN[C@@H](c1nccn1C)C1CC1 ZINC000512880401 1121630338 /nfs/dbraw/zinc/63/03/38/1121630338.db2.gz UCOBVJVFOGAPIH-BHEFUSTPSA-N 0 1 281.403 3.564 20 0 CHADMN Cn1cccc1CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000268121380 1121636404 /nfs/dbraw/zinc/63/64/04/1121636404.db2.gz MLJYYTIRXXCFAW-MRXNPFEDSA-N 0 1 282.387 3.561 20 0 CHADMN C[C@H]1CC(C)(C)CN1Cc1csc(C2CC2)n1 ZINC000412050749 1121638759 /nfs/dbraw/zinc/63/87/59/1121638759.db2.gz ZHUROZYXOBTHPZ-JTQLQIEISA-N 0 1 250.411 3.641 20 0 CHADMN CCCCOc1ccc(Nc2nnc(C)o2)c(F)c1F ZINC001176519776 1121643204 /nfs/dbraw/zinc/64/32/04/1121643204.db2.gz HDLMBCZMQVEDMW-UHFFFAOYSA-N 0 1 283.278 3.579 20 0 CHADMN Clc1ccc(CNCc2ccc(-c3cc[nH]n3)o2)s1 ZINC000433311652 1121645979 /nfs/dbraw/zinc/64/59/79/1121645979.db2.gz NHDXEWHVPZMASC-UHFFFAOYSA-N 0 1 293.779 3.674 20 0 CHADMN CC[C@@H](F)CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433317415 1121648261 /nfs/dbraw/zinc/64/82/61/1121648261.db2.gz KXXMCRGAXIKIPK-TZMCWYRMSA-N 0 1 255.764 3.877 20 0 CHADMN Cc1cc[nH+]c(C)c1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176588795 1121649411 /nfs/dbraw/zinc/64/94/11/1121649411.db2.gz GSWKDHYPVZAPDO-VMPITWQZSA-N 0 1 268.316 3.540 20 0 CHADMN FC(F)(F)c1cnc(CN[C@@H]2CC23CCCC3)s1 ZINC000433335585 1121649956 /nfs/dbraw/zinc/64/99/56/1121649956.db2.gz MBUKERLJRRXOSR-MRVPVSSYSA-N 0 1 276.327 3.584 20 0 CHADMN Cc1cccc2ncc(Nc3cc(O)cc(Cl)c3)n21 ZINC001176624110 1121663529 /nfs/dbraw/zinc/66/35/29/1121663529.db2.gz UYIWMLDADHHFJC-UHFFFAOYSA-N 0 1 273.723 3.745 20 0 CHADMN COc1cc(Nc2cc(O)cc(Cl)c2)ncc1C ZINC001176625444 1121663954 /nfs/dbraw/zinc/66/39/54/1121663954.db2.gz WFDCEELAMJJWMF-UHFFFAOYSA-N 0 1 264.712 3.501 20 0 CHADMN CC1(C)SC[C@@H]1N[C@H](c1ccccc1)c1ccccn1 ZINC000283423865 1121665084 /nfs/dbraw/zinc/66/50/84/1121665084.db2.gz RURBDRFLZIQNCI-JKSUJKDBSA-N 0 1 284.428 3.655 20 0 CHADMN Nc1ccc(F)c(Nc2ccncc2Oc2ccccc2)c1 ZINC001211818228 1121669701 /nfs/dbraw/zinc/66/97/01/1121669701.db2.gz FDNRDCZDMMGUCZ-UHFFFAOYSA-N 0 1 295.317 3.761 20 0 CHADMN COc1c(C)cc(CNCc2ccoc2C)cc1C ZINC000067217749 1121672387 /nfs/dbraw/zinc/67/23/87/1121672387.db2.gz BYZVOFLIQLHYSN-UHFFFAOYSA-N 0 1 259.349 3.503 20 0 CHADMN Fc1ccc(-c2cnc(CN3CCCCCC3)o2)cc1 ZINC000041363165 1121677818 /nfs/dbraw/zinc/67/78/18/1121677818.db2.gz NGSWKVYTGPQUQN-UHFFFAOYSA-N 0 1 274.339 3.857 20 0 CHADMN COc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)o1 ZINC000894162615 1121680587 /nfs/dbraw/zinc/68/05/87/1121680587.db2.gz WSLMYEWQHAGOEK-OAHLLOKOSA-N 0 1 275.323 3.595 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@H](C)c1coc2ccccc12 ZINC000924887539 1121682934 /nfs/dbraw/zinc/68/29/34/1121682934.db2.gz BQRGRFWRMSFAKZ-LLVKDONJSA-N 0 1 283.375 3.634 20 0 CHADMN Clc1cccnc1C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001118814499 1121686287 /nfs/dbraw/zinc/68/62/87/1121686287.db2.gz DGOBETXMDHEJBP-STQMWFEESA-N 0 1 264.800 3.747 20 0 CHADMN Clc1cccnc1CN1CC[C@@H]2CCCC[C@H]2C1 ZINC001118814499 1121686293 /nfs/dbraw/zinc/68/62/93/1121686293.db2.gz DGOBETXMDHEJBP-STQMWFEESA-N 0 1 264.800 3.747 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)CCc1ccccc1O ZINC000544186663 1121693745 /nfs/dbraw/zinc/69/37/45/1121693745.db2.gz BNWKIXWVMZJRJI-GFCCVEGCSA-N 0 1 291.341 3.906 20 0 CHADMN F[C@H]1CCCN(C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC001176808292 1121694800 /nfs/dbraw/zinc/69/48/00/1121694800.db2.gz HHBMDPIYZXAINK-LSDHHAIUSA-N 0 1 269.404 3.692 20 0 CHADMN CC(C)CCN(C)Cc1csc(-c2ccco2)n1 ZINC000052246198 1121697015 /nfs/dbraw/zinc/69/70/15/1121697015.db2.gz FVRNTJQVEPPPOF-UHFFFAOYSA-N 0 1 264.394 3.881 20 0 CHADMN Cc1cc(CN(C)CC23CC4CC(CC(C4)C2)C3)no1 ZINC000053432870 1121697454 /nfs/dbraw/zinc/69/74/54/1121697454.db2.gz FTVQODNOKFGATA-UHFFFAOYSA-N 0 1 274.408 3.631 20 0 CHADMN CC(C)Oc1ccnc(N2CCC(F)(F)C(C)(C)C2)c1 ZINC001164688498 1121698465 /nfs/dbraw/zinc/69/84/65/1121698465.db2.gz OTUFUXVQPGNDJV-UHFFFAOYSA-N 0 1 284.350 3.740 20 0 CHADMN c1ccc2oc(CN3CCSC[C@@H]3C3CCC3)nc2c1 ZINC000419364335 1121700335 /nfs/dbraw/zinc/70/03/35/1121700335.db2.gz PXDUWCQOOLYLTC-CQSZACIVSA-N 0 1 288.416 3.545 20 0 CHADMN COc1nscc1CN1CCC[C@@H](C2CCCC2)C1 ZINC001176940562 1121701603 /nfs/dbraw/zinc/70/16/03/1121701603.db2.gz TWLVJDPRLWZNNO-CYBMUJFWSA-N 0 1 280.437 3.554 20 0 CHADMN Clc1cc(Cl)cc(CNCc2cncs2)c1 ZINC000164721113 1121702230 /nfs/dbraw/zinc/70/22/30/1121702230.db2.gz BEHOVCFTPCUIQQ-UHFFFAOYSA-N 0 1 273.188 3.740 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)C1CCC1)c1ncc[nH]1 ZINC000278961328 1121703072 /nfs/dbraw/zinc/70/30/72/1121703072.db2.gz NSLZLAHAENBXAT-IUODEOHRSA-N 0 1 255.365 3.602 20 0 CHADMN Cc1cccn2cc(CN3CCC[C@H]3c3ccccc3)nc12 ZINC000054993317 1121705287 /nfs/dbraw/zinc/70/52/87/1121705287.db2.gz OCJGXCBYEVXDIA-SFHVURJKSA-N 0 1 291.398 3.980 20 0 CHADMN Cc1nc(C(C)C)ccc1CN1CCc2cc(O)ccc2C1 ZINC001177015625 1121707145 /nfs/dbraw/zinc/70/71/45/1121707145.db2.gz KWXBBIWHJIFNHY-UHFFFAOYSA-N 0 1 296.414 3.777 20 0 CHADMN Cc1cc(CN2CCCC[C@@]23CCCOC3)cc(Cl)n1 ZINC001177014944 1121707242 /nfs/dbraw/zinc/70/72/42/1121707242.db2.gz CUXMXLFOGXMTST-INIZCTEOSA-N 0 1 294.826 3.579 20 0 CHADMN CSc1ccccc1NC(=S)N[C@@H]1CC12CCC2 ZINC001249715197 1121715285 /nfs/dbraw/zinc/71/52/85/1121715285.db2.gz ROSWMZQCAFIRLX-GFCCVEGCSA-N 0 1 278.446 3.638 20 0 CHADMN Cc1ccnc(NCC2([C@H]3CCCCO3)CCC2)c1 ZINC000631511177 1129004705 /nfs/dbraw/zinc/00/47/05/1129004705.db2.gz UTRKGOIAQYHDGE-CQSZACIVSA-N 0 1 260.381 3.541 20 0 CHADMN C[C@@H](c1nc([C@@H]2Cc3ccccc32)no1)N1CCCCCC1 ZINC000527198202 1121728787 /nfs/dbraw/zinc/72/87/87/1121728787.db2.gz QJHCXOVMFAFREH-XJKSGUPXSA-N 0 1 297.402 3.695 20 0 CHADMN Cc1oc(C(C)(C)C)cc1CN[C@@H]1c2ccccc2C[C@@H]1O ZINC001177483629 1121731618 /nfs/dbraw/zinc/73/16/18/1121731618.db2.gz ZRYAHPOEXHWNLW-FUHWJXTLSA-N 0 1 299.414 3.633 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000227883310 1121734356 /nfs/dbraw/zinc/73/43/56/1121734356.db2.gz HMOUJNJMVOXLTG-ZIAGYGMSSA-N 0 1 269.429 3.778 20 0 CHADMN Cc1cccc(C)c1CNCc1cccnc1OC(C)C ZINC000214265227 1121743116 /nfs/dbraw/zinc/74/31/16/1121743116.db2.gz FYJNOBUJWFHRDE-UHFFFAOYSA-N 0 1 284.403 3.775 20 0 CHADMN Fc1ccc([C@H](NCc2cnsc2)C2CCC2)cc1 ZINC001177702945 1121746105 /nfs/dbraw/zinc/74/61/05/1121746105.db2.gz UDVMUUNFWPTEKY-OAHLLOKOSA-N 0 1 276.380 3.913 20 0 CHADMN CN(CCc1cccc(F)c1)Cc1cccc(F)c1F ZINC001204202806 1121747118 /nfs/dbraw/zinc/74/71/18/1121747118.db2.gz RDYCZHIHPUAWCY-UHFFFAOYSA-N 0 1 279.305 3.778 20 0 CHADMN COc1ccccc1/C=C\CN[C@H](C)c1nc(C)cs1 ZINC000727837714 1121750333 /nfs/dbraw/zinc/75/03/33/1121750333.db2.gz SOADEVRKIVQUJT-FWPCIQOSSA-N 0 1 288.416 3.824 20 0 CHADMN COc1ccccc1/C=C\CN[C@@H](C)c1nc(C)cs1 ZINC000727837716 1121751169 /nfs/dbraw/zinc/75/11/69/1121751169.db2.gz SOADEVRKIVQUJT-WOLRVDTOSA-N 0 1 288.416 3.824 20 0 CHADMN FCCN1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000773717463 1121759483 /nfs/dbraw/zinc/75/94/83/1121759483.db2.gz CVRDOJYOVOWFON-UHFFFAOYSA-N 0 1 275.289 3.854 20 0 CHADMN Cc1cc([C@@H](N[C@@H](C)c2ncc[nH]2)C2CC2)ccc1F ZINC000285994887 1121765354 /nfs/dbraw/zinc/76/53/54/1121765354.db2.gz HFGGPRWDBNOXRH-NHYWBVRUSA-N 0 1 273.355 3.659 20 0 CHADMN Cc1ccc(SC[C@H](C)N[C@H](C)c2ncc[nH]2)cc1 ZINC000285977194 1121765765 /nfs/dbraw/zinc/76/57/65/1121765765.db2.gz GJRRWVXRLTUVGW-QWHCGFSZSA-N 0 1 275.421 3.550 20 0 CHADMN C[C@H](N[C@@H](CC1CCC1)c1ccccc1)c1ncc[nH]1 ZINC000285996736 1121765938 /nfs/dbraw/zinc/76/59/38/1121765938.db2.gz HHDDWYBTOINDPB-BBRMVZONSA-N 0 1 269.392 3.992 20 0 CHADMN CCN1CCCC[C@@H]1C(=O)Nc1ccc(C(C)C)cc1 ZINC000729282805 1121770768 /nfs/dbraw/zinc/77/07/68/1121770768.db2.gz JJQKPVKLRANWOE-MRXNPFEDSA-N 0 1 274.408 3.623 20 0 CHADMN CCCCc1oc2ccccc2c1CNCc1cncn1C ZINC000289697451 1121771784 /nfs/dbraw/zinc/77/17/84/1121771784.db2.gz DGMNNIBUIFEFAC-UHFFFAOYSA-N 0 1 297.402 3.799 20 0 CHADMN CC[C@H](NCc1ccc(F)c(OC)c1)c1c(C)noc1C ZINC001178228585 1121775215 /nfs/dbraw/zinc/77/52/15/1121775215.db2.gz NXWANVMNUJVVRX-AWEZNQCLSA-N 0 1 292.354 3.680 20 0 CHADMN COc1ccc2c(c1)CC[C@@H]2NCc1ccc(F)cc1F ZINC000631575130 1129008940 /nfs/dbraw/zinc/00/89/40/1129008940.db2.gz AODYZEWSNZKLNY-KRWDZBQOSA-N 0 1 289.325 3.751 20 0 CHADMN C[C@H](NC(=O)C(F)(F)F)c1csc2ccccc21 ZINC000729978248 1121788624 /nfs/dbraw/zinc/78/86/24/1121788624.db2.gz YUGAOKYWLQISKW-ZETCQYMHSA-N 0 1 273.279 3.641 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2csc3ccccc32)cn1 ZINC000730020165 1121788853 /nfs/dbraw/zinc/78/88/53/1121788853.db2.gz ZJOMJTKRRBMDKI-NSHDSACASA-N 0 1 283.400 3.851 20 0 CHADMN C[C@H]1C[C@H](C)N1C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878533287 1121789721 /nfs/dbraw/zinc/78/97/21/1121789721.db2.gz MSEHEQWQKUFQPP-MWODSPESSA-N 0 1 274.191 3.510 20 0 CHADMN CC(C)N(Cc1ccccc1)C(=O)c1cccc2n[nH]cc21 ZINC000070919450 1121791668 /nfs/dbraw/zinc/79/16/68/1121791668.db2.gz RGNTYCMRFSANMU-UHFFFAOYSA-N 0 1 293.370 3.614 20 0 CHADMN Cc1ncoc1CN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC001119507578 1121793618 /nfs/dbraw/zinc/79/36/18/1121793618.db2.gz MVQYYKHCMWCBPQ-XHDPSFHLSA-N 0 1 274.339 3.705 20 0 CHADMN Cc1ncoc1CN1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC001119507577 1121793837 /nfs/dbraw/zinc/79/38/37/1121793837.db2.gz MVQYYKHCMWCBPQ-NHYWBVRUSA-N 0 1 274.339 3.705 20 0 CHADMN Fc1ccc2c(c1)nccc2N[C@H]1CCCn2nccc21 ZINC000631598036 1129011670 /nfs/dbraw/zinc/01/16/70/1129011670.db2.gz ZPDJETLUJUALSW-AWEZNQCLSA-N 0 1 282.322 3.517 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccsc2)nc1Cl ZINC000878562041 1121801359 /nfs/dbraw/zinc/80/13/59/1121801359.db2.gz TZRFAJGCDONPIV-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN Cc1nc(C)c([C@H](C)N(C)C[C@@H]2CC2(Cl)Cl)s1 ZINC000730378396 1121806477 /nfs/dbraw/zinc/80/64/77/1121806477.db2.gz NUYWNXZNLXTLLX-WPRPVWTQSA-N 0 1 293.263 3.947 20 0 CHADMN Cc1ccccc1[C@H]1C[C@H](NCc2nnc(C3CC3)s2)C1 ZINC000894231307 1121827471 /nfs/dbraw/zinc/82/74/71/1121827471.db2.gz MLIVUHFPFCWZHE-HDJSIYSDSA-N 0 1 299.443 3.760 20 0 CHADMN Cc1cc(F)ccc1CN[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001178998615 1121838177 /nfs/dbraw/zinc/83/81/77/1121838177.db2.gz PFBPAJDDXLUNAZ-IAGOWNOFSA-N 0 1 273.326 3.861 20 0 CHADMN COc1ccc2c(c1)CC[C@H]2NCc1ccc(Cl)cn1 ZINC000631606389 1129012801 /nfs/dbraw/zinc/01/28/01/1129012801.db2.gz IODFOISCSUMLFW-MRXNPFEDSA-N 0 1 288.778 3.521 20 0 CHADMN C[C@H](CCCC(F)(F)F)NCc1nnc(C2CC2)s1 ZINC000414324908 1121839845 /nfs/dbraw/zinc/83/98/45/1121839845.db2.gz LCNKLLATOGFOGM-MRVPVSSYSA-N 0 1 293.358 3.626 20 0 CHADMN Cc1ccc(CC[C@@H](C)N[C@@H](C)c2csnn2)cc1 ZINC000414297384 1121840332 /nfs/dbraw/zinc/84/03/32/1121840332.db2.gz HKPAHNDDEWXQLZ-OLZOCXBDSA-N 0 1 275.421 3.518 20 0 CHADMN C[C@H](O)[C@H](NCc1cccc2[nH]ccc21)c1ccccc1F ZINC001179081332 1121847192 /nfs/dbraw/zinc/84/71/92/1121847192.db2.gz FFUSDCRCXQOLBA-SGTLLEGYSA-N 0 1 298.361 3.519 20 0 CHADMN CC(C)c1ncc(CNC(=O)CC[C@H](C)c2ccccc2)[nH]1 ZINC001179092724 1121849789 /nfs/dbraw/zinc/84/97/89/1121849789.db2.gz YAUZBPLSLWNJPD-AWEZNQCLSA-N 0 1 299.418 3.733 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)C=C(C2CC2)C2CC2)n[nH]1 ZINC001179152768 1121854343 /nfs/dbraw/zinc/85/43/43/1121854343.db2.gz XDWNABKINQLYEC-KRWDZBQOSA-N 0 1 299.418 3.518 20 0 CHADMN Cc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCC(C)(C)C2)n[nH]1 ZINC001179151375 1121854762 /nfs/dbraw/zinc/85/47/62/1121854762.db2.gz AMKNSDMRFAYDQF-UKRRQHHQSA-N 0 1 289.423 3.598 20 0 CHADMN Cc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[C@H]2C)n[nH]1 ZINC001179160302 1121855561 /nfs/dbraw/zinc/85/55/61/1121855561.db2.gz MIYRPIVKHJPQGK-XPKDYRNWSA-N 0 1 289.423 3.598 20 0 CHADMN C[C@@H](N[C@@H]1CSc2ccccc21)c1cccc(CO)c1 ZINC000345188712 1121856008 /nfs/dbraw/zinc/85/60/08/1121856008.db2.gz QEKLUUYKHQCQDR-MLGOLLRUSA-N 0 1 285.412 3.677 20 0 CHADMN O=C(Nc1ccc2cncn2c1)c1cc2c(s1)CCCC2 ZINC001179303854 1121867293 /nfs/dbraw/zinc/86/72/93/1121867293.db2.gz JEFKSEHLTXCNEQ-UHFFFAOYSA-N 0 1 297.383 3.527 20 0 CHADMN C[C@H](N(C)C(=O)c1cc(-c2ccccc2)[nH]n1)C(C)(C)C ZINC000030422703 1121874048 /nfs/dbraw/zinc/87/40/48/1121874048.db2.gz DAGIGNKMAREANU-LBPRGKRZSA-N 0 1 285.391 3.583 20 0 CHADMN COc1c(C)cccc1CN[C@@H]1CCCc2ncccc21 ZINC000631644417 1129016637 /nfs/dbraw/zinc/01/66/37/1129016637.db2.gz OGZIWFSCDJESJJ-QGZVFWFLSA-N 0 1 282.387 3.566 20 0 CHADMN COc1c(Cl)cccc1CNCc1cc(C)nc(C)c1 ZINC001179690260 1121898666 /nfs/dbraw/zinc/89/86/66/1121898666.db2.gz DPTZWMFLYWMWHB-UHFFFAOYSA-N 0 1 290.794 3.650 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cc4c(s3)CCC4)cc2[nH]1 ZINC000345657930 1121903816 /nfs/dbraw/zinc/90/38/16/1121903816.db2.gz UBCYJGQRDUNFKC-UHFFFAOYSA-N 0 1 297.383 3.674 20 0 CHADMN Cc1ccoc1CNCc1ccc(-c2cnco2)cc1 ZINC001179733241 1121904828 /nfs/dbraw/zinc/90/48/28/1121904828.db2.gz FCOMJTDJLRHGNU-UHFFFAOYSA-N 0 1 268.316 3.533 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)c1ccc(Cl)c(F)c1 ZINC000345676396 1121906739 /nfs/dbraw/zinc/90/67/39/1121906739.db2.gz JQLBCIIDPHXOLG-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN Fc1ccccc1-c1ccc(CNC/C=C/Cl)o1 ZINC001179747353 1121907771 /nfs/dbraw/zinc/90/77/71/1121907771.db2.gz LFQDUCBGPDLHNZ-FPYGCLRLSA-N 0 1 265.715 3.928 20 0 CHADMN CC[C@H](C)CN(C)CC(=O)Nc1ccc2ccccc2c1 ZINC000732206190 1121910048 /nfs/dbraw/zinc/91/00/48/1121910048.db2.gz RZUWUMTZTLGLPJ-AWEZNQCLSA-N 0 1 284.403 3.756 20 0 CHADMN CCCCC1(NCc2snc(OC)c2Cl)CC1 ZINC001179763425 1121910095 /nfs/dbraw/zinc/91/00/95/1121910095.db2.gz HDKKLAARUSYWNO-UHFFFAOYSA-N 0 1 274.817 3.618 20 0 CHADMN C[C@H](CN1CCOC[C@H]1C1CCC1)c1cccc(Cl)c1 ZINC001206399646 1121911053 /nfs/dbraw/zinc/91/10/53/1121911053.db2.gz COJYVLLWVYBKSR-DYVFJYSZSA-N 0 1 293.838 3.944 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccco3)C2)nc2ccccc12 ZINC000732205103 1121911251 /nfs/dbraw/zinc/91/12/51/1121911251.db2.gz ARUQDKDJAGPLKC-CQSZACIVSA-N 0 1 293.370 3.521 20 0 CHADMN C[C@@H]1Cc2cc(CN3CC[C@@H]3c3ccccc3)ccc2O1 ZINC001179844913 1121916265 /nfs/dbraw/zinc/91/62/65/1121916265.db2.gz GUAYQLXPGCWXAK-RDTXWAMCSA-N 0 1 279.383 3.957 20 0 CHADMN CN(Cc1cc2cnccc2o1)Cc1cccs1 ZINC001179892947 1121918562 /nfs/dbraw/zinc/91/85/62/1121918562.db2.gz WYRQFIQPIVDLJJ-UHFFFAOYSA-N 0 1 258.346 3.521 20 0 CHADMN CN(CCC[C@H]1CCO1)Cc1ccc(Cl)cc1Cl ZINC001179913749 1121930751 /nfs/dbraw/zinc/93/07/51/1121930751.db2.gz HDDTVIHXHFJSFA-ZDUSSCGKSA-N 0 1 288.218 3.994 20 0 CHADMN CCCCCC[C@@H](C)CC(=O)NCc1cc(CC)[nH]n1 ZINC000732795141 1121938902 /nfs/dbraw/zinc/93/89/02/1121938902.db2.gz SSKUCQBNXLWEMT-CYBMUJFWSA-N 0 1 279.428 3.585 20 0 CHADMN CC(C)COCCN[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000501026587 1121942979 /nfs/dbraw/zinc/94/29/79/1121942979.db2.gz CIWSLQHQWHOWNB-LBPRGKRZSA-N 0 1 284.469 3.764 20 0 CHADMN Cc1cccc(OCCN(C)Cc2ccc(C)cc2F)c1 ZINC001180157518 1121960235 /nfs/dbraw/zinc/96/02/35/1121960235.db2.gz JQBQWPOIACZPHZ-UHFFFAOYSA-N 0 1 287.378 3.953 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(Cl)c(C)c2)CCS1 ZINC001180199004 1121965942 /nfs/dbraw/zinc/96/59/42/1121965942.db2.gz OHSOMHCMSMHNLJ-CYBMUJFWSA-N 0 1 269.841 3.976 20 0 CHADMN COc1ncc(CN(C)CCCCc2ccccc2)s1 ZINC001180240077 1121966545 /nfs/dbraw/zinc/96/65/45/1121966545.db2.gz SZVMDPJBRQZQDQ-UHFFFAOYSA-N 0 1 290.432 3.606 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N1CCN(C2CCC2)CC1 ZINC000733276854 1121972623 /nfs/dbraw/zinc/97/26/23/1121972623.db2.gz YLDPVZMJWGGYDP-INIZCTEOSA-N 0 1 294.483 3.680 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@H]2C(C)(C)C)o1 ZINC000733309530 1121975181 /nfs/dbraw/zinc/97/51/81/1121975181.db2.gz SHYDRXGOYVTPIB-ZDUSSCGKSA-N 0 1 250.386 3.809 20 0 CHADMN CO[C@H](CN[C@H](C)c1ccc(Cl)cc1)C(F)(F)F ZINC000733323119 1121975932 /nfs/dbraw/zinc/97/59/32/1121975932.db2.gz FNFGDRGXTLBSBY-LDYMZIIASA-N 0 1 281.705 3.568 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1cccc(Cl)c1)C(F)(F)F ZINC000733323687 1121976596 /nfs/dbraw/zinc/97/65/96/1121976596.db2.gz NDIUZGZDRODTNK-KWQFWETISA-N 0 1 281.705 3.568 20 0 CHADMN CC(C)(C)OC(=O)c1ccc(CN2CC[C@](C)(F)C2)cc1 ZINC000501418060 1121976397 /nfs/dbraw/zinc/97/63/97/1121976397.db2.gz LXJRVCMHNWTNQU-KRWDZBQOSA-N 0 1 293.382 3.576 20 0 CHADMN Cc1nc(CNCCc2ccc(F)cc2Cl)cs1 ZINC000733329968 1121977734 /nfs/dbraw/zinc/97/77/34/1121977734.db2.gz MQCQLTBKVCZSDP-UHFFFAOYSA-N 0 1 284.787 3.576 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H]2CCCc3cccnc32)s1 ZINC000631708525 1129022583 /nfs/dbraw/zinc/02/25/83/1129022583.db2.gz OXBYRPRCLOXFLM-MFKMUULPSA-N 0 1 273.405 3.575 20 0 CHADMN O=C(Nc1ccc2[nH]ccc2c1)c1c(O)cccc1Cl ZINC000733357817 1121980022 /nfs/dbraw/zinc/98/00/22/1121980022.db2.gz HSKRDTRERRUZFH-UHFFFAOYSA-N 0 1 286.718 3.779 20 0 CHADMN Cc1cc2cc(CNCc3ccoc3C)ccc2[nH]1 ZINC000414440010 1121983180 /nfs/dbraw/zinc/98/31/80/1121983180.db2.gz LSTRZYOYXXKRIA-UHFFFAOYSA-N 0 1 254.333 3.668 20 0 CHADMN CC(C)CCCCN1CCO[C@@H](c2ccccc2)C1 ZINC001180540050 1121998878 /nfs/dbraw/zinc/99/88/78/1121998878.db2.gz GEUXFMUHNLCXSO-QGZVFWFLSA-N 0 1 261.409 3.886 20 0 CHADMN C[C@H](c1cc2ccccc2o1)N(C)Cc1cccnc1N ZINC001180539889 1121999437 /nfs/dbraw/zinc/99/94/37/1121999437.db2.gz CZYDEAMTYZLWDS-GFCCVEGCSA-N 0 1 281.359 3.603 20 0 CHADMN CCn1c2cccc(F)c2nc1C[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000501783820 1122008732 /nfs/dbraw/zinc/00/87/32/1122008732.db2.gz AIVGDZOYSIVICF-CHWSQXEVSA-N 0 1 289.398 3.673 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CC[C@@H](C)[C@H](C)C1 ZINC000501783820 1122008736 /nfs/dbraw/zinc/00/87/36/1122008736.db2.gz AIVGDZOYSIVICF-CHWSQXEVSA-N 0 1 289.398 3.673 20 0 CHADMN CC(C)(C)c1nc(CN[C@H]2C=CCCC2)cs1 ZINC000151182219 1122009669 /nfs/dbraw/zinc/00/96/69/1122009669.db2.gz ZPKGSQBOMPCXLM-NSHDSACASA-N 0 1 250.411 3.639 20 0 CHADMN C[C@@H]1CC(c2noc(C34CCCN3CCC4)n2)C[C@@H](C)C1 ZINC000420490168 1122013582 /nfs/dbraw/zinc/01/35/82/1122013582.db2.gz JMJCWBNKWZPOAR-STQMWFEESA-N 0 1 289.423 3.694 20 0 CHADMN COc1cncc(CN(C)C/C(C)=C/c2ccccc2)c1C ZINC001180866009 1122019377 /nfs/dbraw/zinc/01/93/77/1122019377.db2.gz XPNQTKGMFMNOKW-XNTDXEJSSA-N 0 1 296.414 3.934 20 0 CHADMN C[C@@H](NCc1ccns1)c1ccc(OC(F)F)cc1 ZINC000404271240 1122020105 /nfs/dbraw/zinc/02/01/05/1122020105.db2.gz ITUZQRYUJYNJMZ-SECBINFHSA-N 0 1 284.331 3.595 20 0 CHADMN C[C@@H](CC1CCC1)N[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000631738434 1129026300 /nfs/dbraw/zinc/02/63/00/1129026300.db2.gz METDIXVJAPXTMH-BLLLJJGKSA-N 0 1 287.382 3.807 20 0 CHADMN C[C@H]1C[C@@H](N[C@H]2C[C@H](Sc3ccccc3)C2)c2nccn21 ZINC000631739296 1129026794 /nfs/dbraw/zinc/02/67/94/1129026794.db2.gz LCUKPEQPUSGPMZ-DARAHFNDSA-N 0 1 299.443 3.802 20 0 CHADMN CCc1cc(C(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)n[nH]1 ZINC000502133580 1122039769 /nfs/dbraw/zinc/03/97/69/1122039769.db2.gz LQJIFOKLFZPLNX-KRWDZBQOSA-N 0 1 297.402 3.566 20 0 CHADMN Cc1[nH]c2ccccc2c1CN1CC[C@](C)(F)[C@H](F)C1 ZINC001204291739 1122043150 /nfs/dbraw/zinc/04/31/50/1122043150.db2.gz QBXCTDZXVRJUKV-CVEARBPZSA-N 0 1 278.346 3.748 20 0 CHADMN Cc1[nH]c2ccccc2c1CN1CC[C@](C)(F)[C@@H](F)C1 ZINC001204291741 1122043565 /nfs/dbraw/zinc/04/35/65/1122043565.db2.gz QBXCTDZXVRJUKV-HOTGVXAUSA-N 0 1 278.346 3.748 20 0 CHADMN c1nc(C[N@H+]2CC[C@@H](C3CCCC3)C2)oc1C1CC1 ZINC000420967689 1122053521 /nfs/dbraw/zinc/05/35/21/1122053521.db2.gz ZBXUUTFSAMXJPY-CQSZACIVSA-N 0 1 260.381 3.564 20 0 CHADMN c1nc(CN2CC[C@@H](C3CCCC3)C2)oc1C1CC1 ZINC000420967689 1122053530 /nfs/dbraw/zinc/05/35/30/1122053530.db2.gz ZBXUUTFSAMXJPY-CQSZACIVSA-N 0 1 260.381 3.564 20 0 CHADMN CC(C)N(CC(=O)NC1CCCC1)[C@H](C)c1ccsc1 ZINC000421007371 1122060451 /nfs/dbraw/zinc/06/04/51/1122060451.db2.gz LALCQDVMQYBYHH-CYBMUJFWSA-N 0 1 294.464 3.578 20 0 CHADMN Cc1occc1CNCc1cnccc1C(C)(C)C ZINC000414500511 1122074759 /nfs/dbraw/zinc/07/47/59/1122074759.db2.gz QKHQDLCUMRWSMP-UHFFFAOYSA-N 0 1 258.365 3.570 20 0 CHADMN CSc1cc(NCc2[nH]ncc2C)ccc1Cl ZINC000414500924 1122075520 /nfs/dbraw/zinc/07/55/20/1122075520.db2.gz MMGKRPYNEBFXRJ-UHFFFAOYSA-N 0 1 267.785 3.706 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263097627 1129032887 /nfs/dbraw/zinc/03/28/87/1129032887.db2.gz ATHZRLUOFYKZMZ-CKYFFXLPSA-N 0 1 299.773 3.583 20 0 CHADMN CC[C@H](N[C@@H]1CCCn2nccc21)c1cc(C)ccc1OC ZINC000631809592 1129030120 /nfs/dbraw/zinc/03/01/20/1129030120.db2.gz LBNWTHFEBKXXGV-JKSUJKDBSA-N 0 1 299.418 3.776 20 0 CHADMN CC1=C(C)C[C@H]([C@H](C)NCc2nn(C)cc2Cl)CC1 ZINC001181871112 1122088838 /nfs/dbraw/zinc/08/88/38/1122088838.db2.gz SSJXJAZUJHPRRD-QWHCGFSZSA-N 0 1 281.831 3.688 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2c3cc(C)ccc3C[C@@H]2C)nn1C ZINC000502473385 1122090326 /nfs/dbraw/zinc/09/03/26/1122090326.db2.gz CJGCVLGDRRBFGQ-WPKBUWHJSA-N 0 1 283.419 3.621 20 0 CHADMN Cc1ncsc1CN(C)Cc1cccc(C2CC2)c1 ZINC000421322524 1122092958 /nfs/dbraw/zinc/09/29/58/1122092958.db2.gz UAQWMZSYIWKYLY-UHFFFAOYSA-N 0 1 272.417 3.961 20 0 CHADMN CN(Cc1ccncc1)Cc1cccc(C2CC2)c1 ZINC000421350902 1122098012 /nfs/dbraw/zinc/09/80/12/1122098012.db2.gz YYBRBPQJWAMWEK-UHFFFAOYSA-N 0 1 252.361 3.591 20 0 CHADMN OC[C@H](NCc1cccc(C2CC2)c1)c1ccc(F)cc1 ZINC000421363891 1122100183 /nfs/dbraw/zinc/10/01/83/1122100183.db2.gz MSLMBLAMUMBDHE-SFHVURJKSA-N 0 1 285.362 3.526 20 0 CHADMN CCN1CCCC[C@H]1C(=O)Nc1c(C)ccc2ccccc21 ZINC001181994682 1122101792 /nfs/dbraw/zinc/10/17/92/1122101792.db2.gz SRFSCEUUWMQDNG-KRWDZBQOSA-N 0 1 296.414 3.961 20 0 CHADMN CC(C)N(Cc1ccc(C2CCC2)cc1)C1COC1 ZINC001181987843 1122101918 /nfs/dbraw/zinc/10/19/18/1122101918.db2.gz VBPPBRZOOODNLW-UHFFFAOYSA-N 0 1 259.393 3.563 20 0 CHADMN CC[C@H](C)C1CCC(NC(=O)[C@H]2CCCCN2CC)CC1 ZINC001182002107 1122102235 /nfs/dbraw/zinc/10/22/35/1122102235.db2.gz XVIOPDIFPDZZMY-ZGRYLRDCSA-N 0 1 294.483 3.582 20 0 CHADMN Cc1n[nH]cc1CN(C(C)C)[C@@H](C)c1ccsc1 ZINC000421371168 1122103460 /nfs/dbraw/zinc/10/34/60/1122103460.db2.gz KIKRZMAXUMZLSK-LBPRGKRZSA-N 0 1 263.410 3.751 20 0 CHADMN CC/C=C/CNCc1ccc(C(F)(F)F)nc1Cl ZINC001181973454 1122103734 /nfs/dbraw/zinc/10/37/34/1122103734.db2.gz YRZJYGRFNVBUSC-ONEGZZNKSA-N 0 1 278.705 3.810 20 0 CHADMN Fc1ccc(CCN2CCc3cccc(F)c3C2)cc1F ZINC000502547341 1122104237 /nfs/dbraw/zinc/10/42/37/1122104237.db2.gz ALDAXYSHTNHAEQ-UHFFFAOYSA-N 0 1 291.316 3.705 20 0 CHADMN CCC[C@]1(COC)CCCN1Cc1ncc(C(C)C)o1 ZINC000773965772 1122105798 /nfs/dbraw/zinc/10/57/98/1122105798.db2.gz SZQRLDCHRKNPNX-MRXNPFEDSA-N 0 1 280.412 3.579 20 0 CHADMN CO[C@@H]1CN([C@H](C)c2ccc(F)c(Cl)c2)CC[C@H]1C ZINC000467300134 1122106591 /nfs/dbraw/zinc/10/65/91/1122106591.db2.gz BGKNAXPTPNFYBF-UEKVPHQBSA-N 0 1 285.790 3.897 20 0 CHADMN Clc1cc(Cl)cc(CCN2CC(C3CC3)C2)c1 ZINC001182072399 1122108909 /nfs/dbraw/zinc/10/89/09/1122108909.db2.gz PIGNVHXHEJLTQK-UHFFFAOYSA-N 0 1 270.203 3.878 20 0 CHADMN COCc1ccc(CN2CCC[C@@H](CC(F)(F)F)C2)o1 ZINC000421390672 1122110103 /nfs/dbraw/zinc/11/01/03/1122110103.db2.gz OQFRJXGRXLMMBF-NSHDSACASA-N 0 1 291.313 3.590 20 0 CHADMN CC(C)[C@H]1N(Cc2nc3cc(F)ccc3o2)CC1(C)C ZINC001182100775 1122113036 /nfs/dbraw/zinc/11/30/36/1122113036.db2.gz VVFGMCGMTQLUDT-OAHLLOKOSA-N 0 1 276.355 3.833 20 0 CHADMN C[C@@H]1[C@H](C(=O)[O-])CCC[N@H+]1CCCC1CCCCC1 ZINC000263008807 1129032633 /nfs/dbraw/zinc/03/26/33/1129032633.db2.gz BDGWQRAKQQEFLR-UKRRQHHQSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@H](NC1c2ccccc2-c2ccccc21)c1ccnn1C ZINC000774108872 1122128935 /nfs/dbraw/zinc/12/89/35/1122128935.db2.gz BZHRIYHRZFJAIT-ZDUSSCGKSA-N 0 1 289.382 3.841 20 0 CHADMN c1cc2c(o1)CCC[C@H]2NCc1nccc2ccccc21 ZINC000774141711 1122129646 /nfs/dbraw/zinc/12/96/46/1122129646.db2.gz KNOSLJHKRZNCFT-MRXNPFEDSA-N 0 1 278.355 3.995 20 0 CHADMN CC1(C)CCCC[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000192783803 1129034537 /nfs/dbraw/zinc/03/45/37/1129034537.db2.gz BUIFWYZUWNLMAI-LSDHHAIUSA-N 0 1 298.386 3.550 20 0 CHADMN Cc1ccc(CN2CC3(CCOCC3)[C@H]2c2ccccc2)o1 ZINC000414543816 1122149203 /nfs/dbraw/zinc/14/92/03/1122149203.db2.gz DPEGJOQGHOFDJG-GOSISDBHSA-N 0 1 297.398 3.942 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263375234 1129035597 /nfs/dbraw/zinc/03/55/97/1129035597.db2.gz WMBRCPHXCGJGIX-LBTNJELSSA-N 0 1 297.398 3.943 20 0 CHADMN Fc1ccc([C@@H](NCc2cccc(F)n2)C2CC2)cc1 ZINC000774464488 1122166819 /nfs/dbraw/zinc/16/68/19/1122166819.db2.gz XHEBTMAQABNAMV-INIZCTEOSA-N 0 1 274.314 3.601 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(F)cc2)C2CCCC2)ncn1 ZINC000271805340 1122177004 /nfs/dbraw/zinc/17/70/04/1122177004.db2.gz YFTPNBLLHZZBLD-SFHVURJKSA-N 0 1 299.393 3.945 20 0 CHADMN CC(C)Oc1cc(F)c(Nc2nccn2C)cc1Cl ZINC001250069018 1122177408 /nfs/dbraw/zinc/17/74/08/1122177408.db2.gz AEMKNSIYOKTPGA-UHFFFAOYSA-N 0 1 283.734 3.743 20 0 CHADMN OC[C@H]1CCCCCN1Cc1ccc(C(F)(F)F)s1 ZINC001182675561 1122181758 /nfs/dbraw/zinc/18/17/58/1122181758.db2.gz PPMICDCLQTTXCV-SNVBAGLBSA-N 0 1 293.354 3.504 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2nccc3ccccc32)[C@@H](C)CO1 ZINC001182694623 1122183282 /nfs/dbraw/zinc/18/32/82/1122183282.db2.gz VHNQNQDHBQVEQN-SQWLQELKSA-N 0 1 284.403 3.795 20 0 CHADMN COc1ccc(CN2CC[C@@](C)(c3cccc(F)c3)C2)o1 ZINC001182753860 1122184531 /nfs/dbraw/zinc/18/45/31/1122184531.db2.gz LCNDMHQAHQNNAM-QGZVFWFLSA-N 0 1 289.350 3.591 20 0 CHADMN COc1c(O)cccc1CN1CCC[C@H]1c1ccsc1 ZINC000272230474 1122195309 /nfs/dbraw/zinc/19/53/09/1122195309.db2.gz DRTQHAHEDWZLCW-AWEZNQCLSA-N 0 1 289.400 3.799 20 0 CHADMN OCc1ccc(CN[C@@H](CC2CCC2)c2ccccc2)o1 ZINC000272265265 1122196220 /nfs/dbraw/zinc/19/62/20/1122196220.db2.gz JVUWYOWXEVMSGI-SFHVURJKSA-N 0 1 285.387 3.793 20 0 CHADMN CC[C@H](CN1C[C@H](C)O[C@](C)(C(F)F)C1)c1ccccc1 ZINC001182970693 1122197975 /nfs/dbraw/zinc/19/79/75/1122197975.db2.gz PNTVEODQSFKRET-VBQJREDUSA-N 0 1 297.389 3.925 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccns1)CCS2 ZINC000404472904 1122199785 /nfs/dbraw/zinc/19/97/85/1122199785.db2.gz SKWCXBDVZOKZSX-GFCCVEGCSA-N 0 1 280.393 3.609 20 0 CHADMN COCC[C@H](N[C@H]1CCc2c1cccc2F)c1ccco1 ZINC000272418256 1122201546 /nfs/dbraw/zinc/20/15/46/1122201546.db2.gz HNOBWWDNWFNBNG-HOTGVXAUSA-N 0 1 289.350 3.773 20 0 CHADMN CC(C)(C)C(F)(F)CNCCCc1ccc2c(c1)CCO2 ZINC001183024820 1122202596 /nfs/dbraw/zinc/20/25/96/1122202596.db2.gz PKHYLYPUSTWMST-UHFFFAOYSA-N 0 1 297.389 3.825 20 0 CHADMN CCOc1cccc(CN[C@H](CCOC)c2ccco2)c1 ZINC000272621338 1122207573 /nfs/dbraw/zinc/20/75/73/1122207573.db2.gz WFPBVNJJTLCHSX-MRXNPFEDSA-N 0 1 289.375 3.546 20 0 CHADMN CC1(F)CCN(Cc2cccc(OC3CC3)c2F)CC1 ZINC001183145387 1122207728 /nfs/dbraw/zinc/20/77/28/1122207728.db2.gz HZUCFZCBDRVXAY-UHFFFAOYSA-N 0 1 281.346 3.691 20 0 CHADMN CSc1ccccc1CN(C)[C@@H](C)c1ccccn1 ZINC000272687458 1122210288 /nfs/dbraw/zinc/21/02/88/1122210288.db2.gz DJDFWZKNXVPGTQ-ZDUSSCGKSA-N 0 1 272.417 3.997 20 0 CHADMN Cc1ccn2cc(CN[C@H]3CCc4cccc(C)c43)nc2c1 ZINC000924947015 1122214064 /nfs/dbraw/zinc/21/40/64/1122214064.db2.gz AEERQHAEWDJGAB-KRWDZBQOSA-N 0 1 291.398 3.728 20 0 CHADMN Cc1ccc2ccccc2c1NC(=O)[C@@H](C(C)C)N(C)C ZINC001183360645 1122218231 /nfs/dbraw/zinc/21/82/31/1122218231.db2.gz WJMHDALTVZPNMT-QGZVFWFLSA-N 0 1 284.403 3.673 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccc(Cl)c(F)c1F ZINC001250108721 1122218798 /nfs/dbraw/zinc/21/87/98/1122218798.db2.gz HOTDPIQSHJBCFY-UHFFFAOYSA-N 0 1 293.704 3.848 20 0 CHADMN Cc1cc(CN2CC([C@H]3CCC[C@@H](C)C3)C2)sn1 ZINC001183443307 1122223679 /nfs/dbraw/zinc/22/36/79/1122223679.db2.gz HYBABSVNQNTPFP-YPMHNXCESA-N 0 1 264.438 3.710 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN1CCS[C@H](C)C1 ZINC001183464272 1122224736 /nfs/dbraw/zinc/22/47/36/1122224736.db2.gz QNAPNBDBROKIHJ-GFCCVEGCSA-N 0 1 269.841 3.894 20 0 CHADMN COc1ccnc(CN[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000273319253 1122228057 /nfs/dbraw/zinc/22/80/57/1122228057.db2.gz JVTUREJNEALWNH-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN Cc1cccc(CN2CC[C@@](C)(C(F)(F)F)C2)c1F ZINC001183673586 1122234541 /nfs/dbraw/zinc/23/45/41/1122234541.db2.gz RYPVHWBAUJEJSZ-CYBMUJFWSA-N 0 1 275.289 3.908 20 0 CHADMN F[C@@H]1COc2ccccc2[C@H]1NC[C@@H]1C[C@H]1c1ccccc1 ZINC001183787551 1122238874 /nfs/dbraw/zinc/23/88/74/1122238874.db2.gz BTHYRCFOGWHKHB-ITQYTPKQSA-N 0 1 297.373 3.852 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2OC[C@H]1F)C1CCCC1 ZINC001183787767 1122239091 /nfs/dbraw/zinc/23/90/91/1122239091.db2.gz DLXZEMBMPSDZSO-PEYYIBSZSA-N 0 1 263.356 3.627 20 0 CHADMN F[C@@H]1COc2ccccc2[C@@H]1NC[C@@H]1C[C@H]1c1ccccc1 ZINC001183787554 1122239365 /nfs/dbraw/zinc/23/93/65/1122239365.db2.gz BTHYRCFOGWHKHB-RMRDIRSESA-N 0 1 297.373 3.852 20 0 CHADMN C[N@H+](Cc1nc(-c2cccs2)no1)C[C@H]1CC=CCC1 ZINC000273634584 1122241649 /nfs/dbraw/zinc/24/16/49/1122241649.db2.gz XMHOEPLAVPRBQN-LBPRGKRZSA-N 0 1 289.404 3.586 20 0 CHADMN CN(Cc1nc(-c2cccs2)no1)C[C@H]1CC=CCC1 ZINC000273634584 1122241651 /nfs/dbraw/zinc/24/16/51/1122241651.db2.gz XMHOEPLAVPRBQN-LBPRGKRZSA-N 0 1 289.404 3.586 20 0 CHADMN Cc1ccccc1CNCc1cccc(OC(C)(C)C)n1 ZINC000503284041 1122253926 /nfs/dbraw/zinc/25/39/26/1122253926.db2.gz OCTSCPQTCBQVDP-UHFFFAOYSA-N 0 1 284.403 3.857 20 0 CHADMN C[C@@H]1C[C@H]1N[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000924953056 1122255922 /nfs/dbraw/zinc/25/59/22/1122255922.db2.gz ZVIONAQIIDOVQO-LYRGGWFBSA-N 0 1 272.779 3.822 20 0 CHADMN CCCC[C@H](C)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000503491843 1122263198 /nfs/dbraw/zinc/26/31/98/1122263198.db2.gz SOVWLMUMQIKQHL-LSDHHAIUSA-N 0 1 294.439 3.605 20 0 CHADMN C/C(=C\c1ccccc1)CN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000503566228 1122267838 /nfs/dbraw/zinc/26/78/38/1122267838.db2.gz WHSDGCCXAXERMB-FQKMVKHXSA-N 0 1 259.393 3.588 20 0 CHADMN CC(C)c1nnc(CNC[C@H]2C[C@@H]2C2CCCC2)s1 ZINC001184387831 1122272659 /nfs/dbraw/zinc/27/26/59/1122272659.db2.gz NZJVMKYDYBRNHQ-CHWSQXEVSA-N 0 1 279.453 3.577 20 0 CHADMN COc1c(F)cc(F)cc1CN1CCC[C@H](C)[C@@H]1C ZINC001143558506 1122276432 /nfs/dbraw/zinc/27/64/32/1122276432.db2.gz YQJGQYPLPKKLKP-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)CC3(C)CCC3)cc(F)c12 ZINC001185103449 1122319966 /nfs/dbraw/zinc/31/99/66/1122319966.db2.gz OAPPGFYOPKBOFH-UHFFFAOYSA-N 0 1 275.327 3.529 20 0 CHADMN CC(C)(C)c1ccccc1NS(=O)(=O)c1ccsc1 ZINC001185391401 1122335771 /nfs/dbraw/zinc/33/57/71/1122335771.db2.gz KKSGRRPYRQWLGM-UHFFFAOYSA-N 0 1 295.429 3.846 20 0 CHADMN CCC[C@@H](C(=O)NOC1CCCC1)c1ccccc1 ZINC000774875459 1122339147 /nfs/dbraw/zinc/33/91/47/1122339147.db2.gz SAYCBSXGLBGEKC-OAHLLOKOSA-N 0 1 261.365 3.561 20 0 CHADMN C[C@@]1(CNc2ccnc3cc(F)ccc32)CC1(F)F ZINC000664401344 1122344565 /nfs/dbraw/zinc/34/45/65/1122344565.db2.gz QWSVCNMTUWZURO-ZDUSSCGKSA-N 0 1 266.266 3.831 20 0 CHADMN CC(C)n1ncnc1CN1CCC[C@H]1CCC1CCCC1 ZINC000434479687 1122371135 /nfs/dbraw/zinc/37/11/35/1122371135.db2.gz ZYRKDNUOUHYFGQ-INIZCTEOSA-N 0 1 290.455 3.794 20 0 CHADMN FC1(c2ccccc2)CCN(Cc2cccnc2)CC1 ZINC000434494087 1122372713 /nfs/dbraw/zinc/37/27/13/1122372713.db2.gz CANYKHLRVAXHBT-UHFFFAOYSA-N 0 1 270.351 3.542 20 0 CHADMN Cc1cccnc1CN[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000154619794 1122375675 /nfs/dbraw/zinc/37/56/75/1122375675.db2.gz DQCRELPEEIXKLE-SCLBCKFNSA-N 0 1 284.378 3.942 20 0 CHADMN CCCCc1noc(CN(C)C2CCC(CC)CC2)n1 ZINC000514100402 1122375920 /nfs/dbraw/zinc/37/59/20/1122375920.db2.gz VGQJNAYDUYCPRD-UHFFFAOYSA-N 0 1 279.428 3.813 20 0 CHADMN CC(C)C[C@@H]1CCCCC[N@H+]1Cc1ncnn1C(C)C ZINC000434544598 1122378576 /nfs/dbraw/zinc/37/85/76/1122378576.db2.gz YWZRVQPNJNTFIO-HNNXBMFYSA-N 0 1 278.444 3.650 20 0 CHADMN C[C@@H](NC(=O)Nc1ncc(Cl)cc1O)C1CCCCC1 ZINC001186309349 1122383971 /nfs/dbraw/zinc/38/39/71/1122383971.db2.gz CXBYWGULLZVOCE-SECBINFHSA-N 0 1 297.786 3.531 20 0 CHADMN Cc1cccc(NC(=O)c2cn[nH]c2-c2ccccc2)c1 ZINC000028927366 1122395698 /nfs/dbraw/zinc/39/56/98/1122395698.db2.gz CZUUECOQEGHDIU-UHFFFAOYSA-N 0 1 277.327 3.637 20 0 CHADMN CC1(C)CCN(Cc2nc3ccccc3o2)CCS1 ZINC000434713813 1122396793 /nfs/dbraw/zinc/39/67/93/1122396793.db2.gz KNNQGYOEBSHIRG-UHFFFAOYSA-N 0 1 276.405 3.545 20 0 CHADMN Cc1cccc(CN2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000430096692 1122403241 /nfs/dbraw/zinc/40/32/41/1122403241.db2.gz FYRGQUWJMVBRJM-KRWDZBQOSA-N 0 1 266.388 3.973 20 0 CHADMN Cc1ccoc1CN(C)Cc1c[nH]nc1-c1ccsc1 ZINC000430119492 1122407379 /nfs/dbraw/zinc/40/73/79/1122407379.db2.gz KVVLAWMYVYWGPE-UHFFFAOYSA-N 0 1 287.388 3.672 20 0 CHADMN C[C@@H](F)CCSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000505501379 1122407816 /nfs/dbraw/zinc/40/78/16/1122407816.db2.gz OLAGCTQLVJVPQH-SSDOTTSWSA-N 0 1 287.310 3.590 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@@](C)(c3ccc(C)cc3)C2)n1 ZINC000434740033 1122408015 /nfs/dbraw/zinc/40/80/15/1122408015.db2.gz YJNCNCFFVVEMRZ-KBXCAEBGSA-N 0 1 299.418 3.665 20 0 CHADMN CCc1noc([C@@H](C)N2CC[C@](C)(c3ccc(C)cc3)C2)n1 ZINC000434740035 1122408068 /nfs/dbraw/zinc/40/80/68/1122408068.db2.gz YJNCNCFFVVEMRZ-KDOFPFPSSA-N 0 1 299.418 3.665 20 0 CHADMN Fc1cccc(Cl)c1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000434787735 1122412912 /nfs/dbraw/zinc/41/29/12/1122412912.db2.gz KOPBIEQNFSBBMX-CYBMUJFWSA-N 0 1 296.817 3.586 20 0 CHADMN C[C@H](c1ccccc1F)N(C)C[C@H](O)c1ccccc1F ZINC000079829574 1129053071 /nfs/dbraw/zinc/05/30/71/1129053071.db2.gz JRSDNMNOUXSYGC-PXAZEXFGSA-N 0 1 291.341 3.691 20 0 CHADMN c1cc(-c2ccc(CN3CC[C@H]3c3ccccc3)o2)n[nH]1 ZINC000434831631 1122416541 /nfs/dbraw/zinc/41/65/41/1122416541.db2.gz AKHWIRIEPQCGSU-INIZCTEOSA-N 0 1 279.343 3.617 20 0 CHADMN CC1(C)C[N@@H+](CCOc2ccccc2Cl)CCS1 ZINC000434906407 1122421051 /nfs/dbraw/zinc/42/10/51/1122421051.db2.gz WIDQORPDTCKQFQ-UHFFFAOYSA-N 0 1 285.840 3.546 20 0 CHADMN CC1(C)CN(CCOc2ccccc2Cl)CCS1 ZINC000434906407 1122421053 /nfs/dbraw/zinc/42/10/53/1122421053.db2.gz WIDQORPDTCKQFQ-UHFFFAOYSA-N 0 1 285.840 3.546 20 0 CHADMN Cc1cnc(C[N@H+]2CC[C@](C)(CCc3ccccc3)C2)o1 ZINC000434909634 1122421111 /nfs/dbraw/zinc/42/11/11/1122421111.db2.gz OQBWZKBYLQUGLA-SFHVURJKSA-N 0 1 284.403 3.828 20 0 CHADMN Cc1cnc(CN2CC[C@](C)(CCc3ccccc3)C2)o1 ZINC000434909634 1122421116 /nfs/dbraw/zinc/42/11/16/1122421116.db2.gz OQBWZKBYLQUGLA-SFHVURJKSA-N 0 1 284.403 3.828 20 0 CHADMN COCCOc1cccc(C[N@@H+](C)Cc2ccccc2C)c1 ZINC000505589587 1122429385 /nfs/dbraw/zinc/42/93/85/1122429385.db2.gz FOXSNQAKKRGKMM-UHFFFAOYSA-N 0 1 299.414 3.652 20 0 CHADMN c1csc(CN(Cc2ccc(-c3cc[nH]n3)o2)C2CC2)c1 ZINC000435128943 1122437147 /nfs/dbraw/zinc/43/71/47/1122437147.db2.gz HBDVKABBUNFFTN-UHFFFAOYSA-N 0 1 299.399 3.896 20 0 CHADMN CC[C@H](O)CNC1(c2c(Cl)cccc2Cl)CCC1 ZINC000799323990 1129054753 /nfs/dbraw/zinc/05/47/53/1129054753.db2.gz GXORUJJRHQNAPP-JTQLQIEISA-N 0 1 288.218 3.733 20 0 CHADMN CC[C@H]1CO[C@@H](C)CN1Cc1cc(C)nc2ccccc12 ZINC000505616710 1122439926 /nfs/dbraw/zinc/43/99/26/1122439926.db2.gz XBOSNKZVHLSAQB-HOCLYGCPSA-N 0 1 284.403 3.543 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@H+](CC1CCCCCC1)CC2 ZINC000514729409 1122443849 /nfs/dbraw/zinc/44/38/49/1122443849.db2.gz HNPQOYRWECCFIE-UHFFFAOYSA-N 0 1 287.403 3.713 20 0 CHADMN COCCOc1ccccc1CN(C)Cc1ccc(C)cc1 ZINC000505642725 1122447343 /nfs/dbraw/zinc/44/73/43/1122447343.db2.gz XBCVAYIKCJIKJG-UHFFFAOYSA-N 0 1 299.414 3.652 20 0 CHADMN CC(C)n1cncc1CN1CCC[C@H](Oc2ccccc2)C1 ZINC000425326457 1122453399 /nfs/dbraw/zinc/45/33/99/1122453399.db2.gz NRHCPBIHGICUPN-SFHVURJKSA-N 0 1 299.418 3.507 20 0 CHADMN Cc1ccncc1C(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001188232818 1122459889 /nfs/dbraw/zinc/45/98/89/1122459889.db2.gz PARXCXLQJSGCMF-UHFFFAOYSA-N 0 1 297.141 3.655 20 0 CHADMN Cc1nccc(N2CCC[C@@H]([C@H]3CCCCO3)C2)c1Cl ZINC000664489984 1122470472 /nfs/dbraw/zinc/47/04/72/1122470472.db2.gz VAHFTZOJYBKMLO-UKRRQHHQSA-N 0 1 294.826 3.829 20 0 CHADMN CSc1ccc2nc(-c3cc(O)cc(F)c3)[nH]c2c1 ZINC000435684197 1122481585 /nfs/dbraw/zinc/48/15/85/1122481585.db2.gz KQWPHPXWWDKFSQ-UHFFFAOYSA-N 0 1 274.320 3.797 20 0 CHADMN CCCCCc1ccc(C(=O)Nc2cccnc2CN)cc1 ZINC001189204486 1122492061 /nfs/dbraw/zinc/49/20/61/1122492061.db2.gz IGCDIQCZFNSJIU-UHFFFAOYSA-N 0 1 297.402 3.525 20 0 CHADMN CCOc1cc(CN2C[C@H](C)C[C@@H](C)C2)c(Cl)cn1 ZINC001250318270 1122492163 /nfs/dbraw/zinc/49/21/63/1122492163.db2.gz DAEFOEMAHWFRAL-VXGBXAGGSA-N 0 1 282.815 3.612 20 0 CHADMN [O-]c1cccnc1C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000515332161 1122493319 /nfs/dbraw/zinc/49/33/19/1122493319.db2.gz SFODPNGEBNFNDV-UHFFFAOYSA-N 0 1 296.414 3.632 20 0 CHADMN Cc1cc2[nH]ncc2cc1CCc1ccc(F)cc1 ZINC001250325945 1122496679 /nfs/dbraw/zinc/49/66/79/1122496679.db2.gz MUHZDHXBCDPTCX-UHFFFAOYSA-N 0 1 254.308 3.796 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cc(C)ccn2)c(C)c1 ZINC000285516828 1122513798 /nfs/dbraw/zinc/51/37/98/1122513798.db2.gz DRALGPDNNDEAAT-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN Cc1ccccc1CN1CCc2cc(F)ccc2C1 ZINC001203708934 1122514270 /nfs/dbraw/zinc/51/42/70/1122514270.db2.gz SPFCYCKEDYOBDR-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN CC(C)CCOCCSc1nc(-c2ccccc2)n[nH]1 ZINC000515598325 1122514902 /nfs/dbraw/zinc/51/49/02/1122514902.db2.gz RQLAXGSDALVAEN-UHFFFAOYSA-N 0 1 291.420 3.627 20 0 CHADMN CC(C)c1nc(CSC[C@@H]2CC[C@@H]3C[C@@H]3C2)n[nH]1 ZINC001189832420 1122516519 /nfs/dbraw/zinc/51/65/19/1122516519.db2.gz MTFNSPXIASVSQW-UTUOFQBUSA-N 0 1 265.426 3.598 20 0 CHADMN CCc1nc([C@@H](C)SCc2cccc(F)c2F)n[nH]1 ZINC001190078929 1122526076 /nfs/dbraw/zinc/52/60/76/1122526076.db2.gz OBBRMWBTXKTXON-MRVPVSSYSA-N 0 1 283.347 3.640 20 0 CHADMN CSc1ccccc1NC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000515750476 1122533834 /nfs/dbraw/zinc/53/38/34/1122533834.db2.gz OOKYXZKLWQKYGP-UHFFFAOYSA-N 0 1 299.355 3.644 20 0 CHADMN COc1ccccc1CN(CCOCCC(C)C)C1CC1 ZINC000515779808 1122538685 /nfs/dbraw/zinc/53/86/85/1122538685.db2.gz HGIZYTVQJCLRSY-UHFFFAOYSA-N 0 1 291.435 3.722 20 0 CHADMN CCCc1ccccc1NC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000515789633 1122539985 /nfs/dbraw/zinc/53/99/85/1122539985.db2.gz OXXXBRCKVDTPLZ-UHFFFAOYSA-N 0 1 295.342 3.875 20 0 CHADMN CC[C@](C)(NCc1c(C)noc1C)c1ccccc1 ZINC000775391633 1122541178 /nfs/dbraw/zinc/54/11/78/1122541178.db2.gz VLXFQIQFQGILBV-INIZCTEOSA-N 0 1 258.365 3.706 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)cn1 ZINC000505822927 1122550532 /nfs/dbraw/zinc/55/05/32/1122550532.db2.gz BAQLNVSOFWBLQF-SXAWMYDMSA-N 0 1 294.398 3.768 20 0 CHADMN COc1ccc(CN2CCC[C@@H]2/C=C/c2ccccc2)cn1 ZINC000505822927 1122550536 /nfs/dbraw/zinc/55/05/36/1122550536.db2.gz BAQLNVSOFWBLQF-SXAWMYDMSA-N 0 1 294.398 3.768 20 0 CHADMN FC(F)(F)COc1ccccc1CNCc1ccccc1 ZINC000077589675 1122551804 /nfs/dbraw/zinc/55/18/04/1122551804.db2.gz PWXVNXWLRUVIJU-UHFFFAOYSA-N 0 1 295.304 3.918 20 0 CHADMN Cc1ccc2nc(N)n(-c3cc(F)cc4[nH]ccc43)c2c1 ZINC001203725759 1122552311 /nfs/dbraw/zinc/55/23/11/1122552311.db2.gz OGRFDURGXHRSHL-UHFFFAOYSA-N 0 1 280.306 3.537 20 0 CHADMN CCCN(CC(F)F)C[C@@H]1CCCC12CCOCC2 ZINC001190692223 1122552832 /nfs/dbraw/zinc/55/28/32/1122552832.db2.gz TVDGIMDFRRETDX-ZDUSSCGKSA-N 0 1 275.383 3.560 20 0 CHADMN COc1cc(CN2CCc3sccc3C2)ccc1C ZINC000436481455 1122552962 /nfs/dbraw/zinc/55/29/62/1122552962.db2.gz AQDRFIIHQNKTGW-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN COc1ccc(C2(NCc3ccnc(Cl)c3)CC2)cc1 ZINC000775411403 1122554593 /nfs/dbraw/zinc/55/45/93/1122554593.db2.gz PGVSFKBINNGGBX-UHFFFAOYSA-N 0 1 288.778 3.523 20 0 CHADMN COc1ccnc(CN2CCC[C@H]2/C=C\c2ccccc2)c1 ZINC000505840141 1122557163 /nfs/dbraw/zinc/55/71/63/1122557163.db2.gz OVGWEUMXNJAJHS-LPADLIQXSA-N 0 1 294.398 3.768 20 0 CHADMN COc1ccnc(CN2CCC[C@@H]2/C=C/c2ccccc2)c1 ZINC000505840142 1122557380 /nfs/dbraw/zinc/55/73/80/1122557380.db2.gz OVGWEUMXNJAJHS-QZEKMECESA-N 0 1 294.398 3.768 20 0 CHADMN Cc1ccc(CN2CCS[C@@H]3CCCC[C@H]32)c(Cl)n1 ZINC000838868721 1122565723 /nfs/dbraw/zinc/56/57/23/1122565723.db2.gz QVFDVVYYUZMKPA-ZIAGYGMSSA-N 0 1 296.867 3.903 20 0 CHADMN CCC(CC)[N@@H+](CC[C@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000516076196 1122566949 /nfs/dbraw/zinc/56/69/49/1122566949.db2.gz NEAVDTNXHNZOQH-KRWDZBQOSA-N 0 1 289.419 3.898 20 0 CHADMN CC(=O)c1cc(CN2CCC[C@@H](C(C)(C)C)CC2)on1 ZINC000516140779 1122572962 /nfs/dbraw/zinc/57/29/62/1122572962.db2.gz CDBDYZCETZPRDB-CYBMUJFWSA-N 0 1 278.396 3.525 20 0 CHADMN C=C/C=C/CCN1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC001191085906 1122575986 /nfs/dbraw/zinc/57/59/86/1122575986.db2.gz VSQXUVPLSJMDGX-OZZQIWQLSA-N 0 1 271.404 3.889 20 0 CHADMN C=C/C=C\CCN1C[C@H](c2ccccc2C)OC[C@H]1C ZINC001191085905 1122576326 /nfs/dbraw/zinc/57/63/26/1122576326.db2.gz VSQXUVPLSJMDGX-GOVFWEMJSA-N 0 1 271.404 3.889 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1Cc1cnn(-c2ccccc2)n1 ZINC001191133165 1122579230 /nfs/dbraw/zinc/57/92/30/1122579230.db2.gz OAAWDYBFFUIPNS-YJBOKZPZSA-N 0 1 298.434 3.668 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C(C)(C)C(C)(C)C)c1 ZINC000436763435 1122582037 /nfs/dbraw/zinc/58/20/37/1122582037.db2.gz GHUITOKMHBDOJJ-UHFFFAOYSA-N 0 1 291.391 3.996 20 0 CHADMN Cc1nc2c(s1)CN(Cc1ccc(C)cc1C)CC2 ZINC001203736151 1122582129 /nfs/dbraw/zinc/58/21/29/1122582129.db2.gz NUJAUYQDDTYOHP-UHFFFAOYSA-N 0 1 272.417 3.627 20 0 CHADMN CC[N@@H+](Cc1cnc2ccc(C)cn12)Cc1ccccc1 ZINC000505881049 1122582390 /nfs/dbraw/zinc/58/23/90/1122582390.db2.gz DEZVMOSHKYQVAS-UHFFFAOYSA-N 0 1 279.387 3.665 20 0 CHADMN CCN(Cc1cnc2ccc(C)cn12)Cc1ccccc1 ZINC000505881049 1122582395 /nfs/dbraw/zinc/58/23/95/1122582395.db2.gz DEZVMOSHKYQVAS-UHFFFAOYSA-N 0 1 279.387 3.665 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001191330938 1122594249 /nfs/dbraw/zinc/59/42/49/1122594249.db2.gz XNTAWBUJRYHQHB-BYCMXARLSA-N 0 1 299.336 3.543 20 0 CHADMN CC(C)(C)CCN1CCc2c(F)ccc(F)c2C1 ZINC001191417590 1122598747 /nfs/dbraw/zinc/59/87/47/1122598747.db2.gz PBIRZOJFOYFIRG-UHFFFAOYSA-N 0 1 253.336 3.759 20 0 CHADMN Cc1cccc2nc(N[C@@H](C)c3cccc(O)c3)sc21 ZINC000436957184 1122599093 /nfs/dbraw/zinc/59/90/93/1122599093.db2.gz WIIYDIYFKYLOBX-NSHDSACASA-N 0 1 284.384 3.905 20 0 CHADMN COc1cc(-c2nc3ccc(SC)cc3[nH]2)ccc1O ZINC000436979568 1122599706 /nfs/dbraw/zinc/59/97/06/1122599706.db2.gz KMJHNHLZKUNVDV-UHFFFAOYSA-N 0 1 286.356 3.666 20 0 CHADMN Cc1nn2c(CN3CCCC[C@H]3C)c(C(C)C)nc2s1 ZINC000505912736 1122600366 /nfs/dbraw/zinc/60/03/66/1122600366.db2.gz OAAPQBSDPRXFPI-LLVKDONJSA-N 0 1 292.452 3.597 20 0 CHADMN COc1ccc(CN2CCCC[C@H]2C)c(Cl)c1 ZINC000505913894 1122600481 /nfs/dbraw/zinc/60/04/81/1122600481.db2.gz XHMPUCQIHXASSH-LLVKDONJSA-N 0 1 253.773 3.723 20 0 CHADMN CC[C@H](C)[C@@H](C)N(C(=O)c1c(O)cccc1F)C1CC1 ZINC000436988795 1122601257 /nfs/dbraw/zinc/60/12/57/1122601257.db2.gz MQTDMXOJAPDZNR-WDEREUQCSA-N 0 1 279.355 3.571 20 0 CHADMN Oc1ccc(CCNc2ccnc3cc(F)ccc32)cc1 ZINC000437003236 1122602433 /nfs/dbraw/zinc/60/24/33/1122602433.db2.gz ZYAFXUKNGPSOFX-UHFFFAOYSA-N 0 1 282.318 3.734 20 0 CHADMN Fc1cccc2c(C[N@@H+]3CCC[C@@H](F)C3)cccc12 ZINC001237515038 1129065810 /nfs/dbraw/zinc/06/58/10/1129065810.db2.gz JXFKUIQQEWSMTF-CYBMUJFWSA-N 0 1 261.315 3.913 20 0 CHADMN Fc1cccc2c(CN3CCC[C@@H](F)C3)cccc12 ZINC001237515038 1129065814 /nfs/dbraw/zinc/06/58/14/1129065814.db2.gz JXFKUIQQEWSMTF-CYBMUJFWSA-N 0 1 261.315 3.913 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H]1CCCc2sccc21 ZINC000437084979 1122612805 /nfs/dbraw/zinc/61/28/05/1122612805.db2.gz YLSZJBGLQRMNHP-FZMZJTMJSA-N 0 1 288.416 3.880 20 0 CHADMN CCOC(=O)C1(NC[C@@H]2CCCC[C@H]2C)CCCCC1 ZINC001191753112 1122613564 /nfs/dbraw/zinc/61/35/64/1122613564.db2.gz DVHKSJCNYCXPFC-CABCVRRESA-N 0 1 281.440 3.668 20 0 CHADMN CN(c1ccccc1)c1ccc(C[N@H+]2CCC23CCC3)cn1 ZINC000437129790 1122616372 /nfs/dbraw/zinc/61/63/72/1122616372.db2.gz HCXDIGHHOSUYPU-UHFFFAOYSA-N 0 1 293.414 3.978 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000437140982 1122616578 /nfs/dbraw/zinc/61/65/78/1122616578.db2.gz DHZZTNSTDYBHTB-GJZGRUSLSA-N 0 1 299.336 3.767 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCO[C@H]2CCC[C@@H]21 ZINC000437140982 1122616581 /nfs/dbraw/zinc/61/65/81/1122616581.db2.gz DHZZTNSTDYBHTB-GJZGRUSLSA-N 0 1 299.336 3.767 20 0 CHADMN Fc1ccc([C@H](N[C@@H]2CCC[C@H](F)C2)c2ncc[nH]2)cc1 ZINC000516650328 1122618292 /nfs/dbraw/zinc/61/82/92/1122618292.db2.gz KAYQAABINZLCDG-ZNMIVQPWSA-N 0 1 291.345 3.509 20 0 CHADMN CCCN(Cc1cnc([C@@H](C)O)s1)Cc1ccccc1 ZINC000288995498 1122619813 /nfs/dbraw/zinc/61/98/13/1122619813.db2.gz DNXHRXIIPBFFGH-CYBMUJFWSA-N 0 1 290.432 3.609 20 0 CHADMN Cc1ccc([C@H](C)NCc2cnc(C3CC3)nc2)s1 ZINC000838911522 1122634273 /nfs/dbraw/zinc/63/42/73/1122634273.db2.gz CKPGIJLFDKQUDG-NSHDSACASA-N 0 1 273.405 3.575 20 0 CHADMN CO[C@@H](CN1CCc2ccc(F)c(F)c2C1)C1CCCC1 ZINC001192233637 1122636660 /nfs/dbraw/zinc/63/66/60/1122636660.db2.gz IBHLDWKBDUQOAZ-INIZCTEOSA-N 0 1 295.373 3.528 20 0 CHADMN CC(C)N(C(=O)CN(C)[C@@H](C)C1(C)CC1)c1ccccc1 ZINC000437507694 1122638339 /nfs/dbraw/zinc/63/83/39/1122638339.db2.gz MQKARWAFLAJSLF-HNNXBMFYSA-N 0 1 288.435 3.548 20 0 CHADMN Clc1ccccc1C1=CCN(CCOC2CC2)CC1 ZINC001192324730 1122638849 /nfs/dbraw/zinc/63/88/49/1122638849.db2.gz KXQFZWZREUGKKP-UHFFFAOYSA-N 0 1 277.795 3.608 20 0 CHADMN Cc1ccc(NC(=O)CN(C)[C@@H](C)C2(C)CC2)cc1Cl ZINC000437544660 1122640531 /nfs/dbraw/zinc/64/05/31/1122640531.db2.gz IQZIODDHFOWMCR-LBPRGKRZSA-N 0 1 294.826 3.707 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1Cc1ccc2nc(C)ccc2c1 ZINC000437583885 1122643844 /nfs/dbraw/zinc/64/38/44/1122643844.db2.gz UMILSTDOBMBXLX-RHSMWYFYSA-N 0 1 284.403 3.543 20 0 CHADMN CN(Cc1cccn1C)Cc1ccc2ccccc2c1 ZINC000506086994 1122647747 /nfs/dbraw/zinc/64/77/47/1122647747.db2.gz QEGSZDHKJRSDTR-UHFFFAOYSA-N 0 1 264.372 3.810 20 0 CHADMN C[C@@H]1CCN(CCCc2ccccc2Cl)C[C@H]1F ZINC001192546748 1122650683 /nfs/dbraw/zinc/65/06/83/1122650683.db2.gz NSRRRWMGVYVORB-IUODEOHRSA-N 0 1 269.791 3.953 20 0 CHADMN C[C@H]1CCN(CCc2ccc(Cl)cc2)C[C@@H]1F ZINC001192546267 1122651684 /nfs/dbraw/zinc/65/16/84/1122651684.db2.gz LMZRQFDCIHCKJD-FZMZJTMJSA-N 0 1 255.764 3.562 20 0 CHADMN COc1cc(CN[C@@H](C)c2cc3ccc(C)cc3o2)ccn1 ZINC000425911797 1122658922 /nfs/dbraw/zinc/65/89/22/1122658922.db2.gz COHRHGYWCCEKJO-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN Cc1ccoc1CN(C)CCOc1ccccc1Cl ZINC000506159264 1122662984 /nfs/dbraw/zinc/66/29/84/1122662984.db2.gz GEINLOGHFTUHRQ-UHFFFAOYSA-N 0 1 279.767 3.752 20 0 CHADMN Fc1cccc2[nH]c(CN3CCCC4(CC4)C3)cc21 ZINC000437947463 1122666617 /nfs/dbraw/zinc/66/66/17/1122666617.db2.gz OTDYBNWDEJVSOX-UHFFFAOYSA-N 0 1 258.340 3.683 20 0 CHADMN CCC(CC)n1ccc(CN2CCC[C@H](C)[C@H]2C)n1 ZINC000438062960 1122673903 /nfs/dbraw/zinc/67/39/03/1122673903.db2.gz XVBWEFVCLWVECM-UONOGXRCSA-N 0 1 263.429 3.865 20 0 CHADMN C[Si](C)(C)CN1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001193116847 1122677494 /nfs/dbraw/zinc/67/74/94/1122677494.db2.gz DVAUYYDGDGHOIS-CQSZACIVSA-N 0 1 283.875 3.591 20 0 CHADMN c1cc([C@H]2CCCN2Cc2cccc3c2OCO3)cs1 ZINC000153539851 1129071218 /nfs/dbraw/zinc/07/12/18/1129071218.db2.gz VXZPWZUFRJRALY-CQSZACIVSA-N 0 1 287.384 3.814 20 0 CHADMN Cc1ccc(CN2CCc3c(C)cccc3C2)c(C)n1 ZINC000775594457 1122691377 /nfs/dbraw/zinc/69/13/77/1122691377.db2.gz XCPMXAPRRPMBJE-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN CC(C)OC(=O)Nc1cc(Cl)c(O)cc1Cl ZINC001193486933 1122692258 /nfs/dbraw/zinc/69/22/58/1122692258.db2.gz OSVBQTLJVQHQQI-UHFFFAOYSA-N 0 1 264.108 3.656 20 0 CHADMN Cc1cccc(C[N@@H+](C)Cc2cnc3ccc(C)cn23)c1 ZINC000506233405 1122699578 /nfs/dbraw/zinc/69/95/78/1122699578.db2.gz NGOCQHWUTCJQFS-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN Cc1cccc(CN(C)Cc2cnc3ccc(C)cn23)c1 ZINC000506233405 1122699581 /nfs/dbraw/zinc/69/95/81/1122699581.db2.gz NGOCQHWUTCJQFS-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN CC[C@H](NCc1ccc(C2CCC2)cc1)c1ccn(C)n1 ZINC000426028549 1122703408 /nfs/dbraw/zinc/70/34/08/1122703408.db2.gz MGNMKVSSJRPPOU-KRWDZBQOSA-N 0 1 283.419 3.929 20 0 CHADMN COCC(C)(C)CN(Cc1ccco1)Cc1ccco1 ZINC000426032402 1122704911 /nfs/dbraw/zinc/70/49/11/1122704911.db2.gz AQVUAQLICMKMJH-UHFFFAOYSA-N 0 1 277.364 3.547 20 0 CHADMN CC[C@H]1CCN(Cc2nc(C(C)(C)C)co2)[C@@H]1C ZINC001193604370 1122705143 /nfs/dbraw/zinc/70/51/43/1122705143.db2.gz GNDNDMVOFZHZOZ-NEPJUHHUSA-N 0 1 250.386 3.593 20 0 CHADMN CCCC[N@@H+](Cc1nc(CCC)cs1)C1CC1 ZINC000426044371 1122707050 /nfs/dbraw/zinc/70/70/50/1122707050.db2.gz RYVUXDWSHJRMAI-UHFFFAOYSA-N 0 1 252.427 3.860 20 0 CHADMN CCCCN(Cc1nc(CCC)cs1)C1CC1 ZINC000426044371 1122707053 /nfs/dbraw/zinc/70/70/53/1122707053.db2.gz RYVUXDWSHJRMAI-UHFFFAOYSA-N 0 1 252.427 3.860 20 0 CHADMN C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cccc2c1OCO2 ZINC000506260337 1122707296 /nfs/dbraw/zinc/70/72/96/1122707296.db2.gz WKICZAKXYCRQML-LBPRGKRZSA-N 0 1 287.334 3.747 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1cccc2c1OCO2 ZINC000506260337 1122707298 /nfs/dbraw/zinc/70/72/98/1122707298.db2.gz WKICZAKXYCRQML-LBPRGKRZSA-N 0 1 287.334 3.747 20 0 CHADMN COC(=O)[C@@H]1C[C@H](C)CCN1CCC1C[C@@H](C)C[C@H](C)C1 ZINC001193685967 1122709341 /nfs/dbraw/zinc/70/93/41/1122709341.db2.gz IIPGFYCBDZMOKW-AESZEHBQSA-N 0 1 295.467 3.722 20 0 CHADMN CCC(CC)n1ccc(CN2CCC[C@@H]2CSC)n1 ZINC000438607791 1122715294 /nfs/dbraw/zinc/71/52/94/1122715294.db2.gz OERLCVILSCVBOZ-OAHLLOKOSA-N 0 1 281.469 3.572 20 0 CHADMN COc1cccc(CN(C)Cc2ccsc2C)c1 ZINC000350223395 1122715943 /nfs/dbraw/zinc/71/59/43/1122715943.db2.gz SESLWALTONEIRR-UHFFFAOYSA-N 0 1 261.390 3.697 20 0 CHADMN O=C(Nc1ccc2c(c1)N=NC2)c1ccc(F)c(O)c1F ZINC001193788812 1122716658 /nfs/dbraw/zinc/71/66/58/1122716658.db2.gz GDYVBNQFIKWDJG-UHFFFAOYSA-N 0 1 289.241 3.520 20 0 CHADMN Cc1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000506327989 1122717801 /nfs/dbraw/zinc/71/78/01/1122717801.db2.gz WOWRZDNWFXHJJE-GOSISDBHSA-N 0 1 267.372 3.569 20 0 CHADMN Cn1cccc1CN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000506329350 1122719252 /nfs/dbraw/zinc/71/92/52/1122719252.db2.gz YWBSQCACNZKUOR-UHFFFAOYSA-N 0 1 286.806 3.968 20 0 CHADMN CCN(C)Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000506337823 1122721189 /nfs/dbraw/zinc/72/11/89/1122721189.db2.gz CYQDEVXQMFLNCV-UHFFFAOYSA-N 0 1 271.408 3.622 20 0 CHADMN CC(C)c1nc(CNCc2cc(Cl)ccc2Cl)n[nH]1 ZINC000294812775 1122737018 /nfs/dbraw/zinc/73/70/18/1122737018.db2.gz OAQHQXIFVVZOLE-UHFFFAOYSA-N 0 1 299.205 3.525 20 0 CHADMN Cc1cccc2nc(CNCc3ccc([C@H]4C[C@@H]4C)o3)[nH]c21 ZINC000153635367 1129074506 /nfs/dbraw/zinc/07/45/06/1129074506.db2.gz CFEOQKDYHPJMQH-JSGCOSHPSA-N 0 1 295.386 3.878 20 0 CHADMN Cc1ccccc1[C@H]1C[N@@H+](CC2CC(F)(F)C2)[C@@H](C)CO1 ZINC000294964365 1122739069 /nfs/dbraw/zinc/73/90/69/1122739069.db2.gz LFLPWCUMOQPDDD-XJKSGUPXSA-N 0 1 295.373 3.802 20 0 CHADMN Cc1ccccc1[C@H]1CN(CC2CC(F)(F)C2)[C@@H](C)CO1 ZINC000294964365 1122739073 /nfs/dbraw/zinc/73/90/73/1122739073.db2.gz LFLPWCUMOQPDDD-XJKSGUPXSA-N 0 1 295.373 3.802 20 0 CHADMN CC(C)[C@@H](NCc1ccnn1C)c1ccccc1Cl ZINC000080202770 1129075146 /nfs/dbraw/zinc/07/51/46/1129075146.db2.gz MOJFTGRUHJHGKC-OAHLLOKOSA-N 0 1 277.799 3.560 20 0 CHADMN CCC[C@](C)(O)CN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000925046527 1122752557 /nfs/dbraw/zinc/75/25/57/1122752557.db2.gz RFKRBKXSXIYDPG-OALUTQOASA-N 0 1 298.430 3.620 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)Oc1ccccc1 ZINC001194247084 1122761578 /nfs/dbraw/zinc/76/15/78/1122761578.db2.gz CMYNCEIUADQYGJ-UHFFFAOYSA-N 0 1 263.680 3.657 20 0 CHADMN COc1ncc(CN[C@H](C)c2cccc(C)c2C)s1 ZINC000638598543 1122761722 /nfs/dbraw/zinc/76/17/22/1122761722.db2.gz GLELSSSCELFSIW-GFCCVEGCSA-N 0 1 276.405 3.619 20 0 CHADMN CC1(c2nc3ccc(C(F)F)cc3[nH]2)CCOCC1 ZINC001250562969 1122762940 /nfs/dbraw/zinc/76/29/40/1122762940.db2.gz RDKBLWJKHCEDCJ-UHFFFAOYSA-N 0 1 266.291 3.569 20 0 CHADMN CCc1nc(C)c([C@H](C)N[C@@H](C)c2cnn(CC)c2)s1 ZINC000296092753 1122763181 /nfs/dbraw/zinc/76/31/81/1122763181.db2.gz YGWHCGCVKISCCT-QWRGUYRKSA-N 0 1 292.452 3.642 20 0 CHADMN CCc1nc(C)c(CN[C@H]2CCCc3ccc(F)cc32)o1 ZINC000426322312 1122763463 /nfs/dbraw/zinc/76/34/63/1122763463.db2.gz IDZDDIUVHWNMBQ-HNNXBMFYSA-N 0 1 288.366 3.852 20 0 CHADMN CCc1nc(C)c([C@@H](C)N[C@H](C)c2cnn(CC)c2)s1 ZINC000296092747 1122763847 /nfs/dbraw/zinc/76/38/47/1122763847.db2.gz YGWHCGCVKISCCT-GHMZBOCLSA-N 0 1 292.452 3.642 20 0 CHADMN CN(Cc1cnn(C(C)(C)C)c1)Cc1cccc2[nH]ccc21 ZINC000426371167 1122775692 /nfs/dbraw/zinc/77/56/92/1122775692.db2.gz JPWHQSSOFLIMQT-UHFFFAOYSA-N 0 1 296.418 3.751 20 0 CHADMN Cc1ccc(-c2noc([C@@H](C)NCC3(C)CC3)n2)cc1F ZINC000518656628 1122776852 /nfs/dbraw/zinc/77/68/52/1122776852.db2.gz SKCYBIDPFKFAAV-LLVKDONJSA-N 0 1 289.354 3.635 20 0 CHADMN COc1c(C)cnc(CNC(C)(C)c2ccccc2)c1C ZINC000264638410 1129077410 /nfs/dbraw/zinc/07/74/10/1129077410.db2.gz PQMSDPSUUABVGN-UHFFFAOYSA-N 0 1 284.403 3.732 20 0 CHADMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)C1=CCCC1 ZINC000153812423 1129077473 /nfs/dbraw/zinc/07/74/73/1129077473.db2.gz IBKRBWKQVOQYBV-UHFFFAOYSA-N 0 1 295.264 3.631 20 0 CHADMN CSCCCN(C)Cc1cc(F)ccc1Cl ZINC000439463154 1122783326 /nfs/dbraw/zinc/78/33/26/1122783326.db2.gz AYHAYJRVYOMAEU-UHFFFAOYSA-N 0 1 261.793 3.664 20 0 CHADMN Cc1ccc(F)c(CN(C)C[C@@H]2Cc3ccccc3O2)c1 ZINC001205670626 1122789436 /nfs/dbraw/zinc/78/94/36/1122789436.db2.gz RTLBZGTVZHWOKK-INIZCTEOSA-N 0 1 285.362 3.570 20 0 CHADMN CC1(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)CCC1 ZINC000153777880 1129078040 /nfs/dbraw/zinc/07/80/40/1129078040.db2.gz ZONOMHAVRAISLV-UHFFFAOYSA-N 0 1 297.280 3.710 20 0 CHADMN Cc1nc2c(s1)[C@H](N(C)Cc1ccc(C)nc1)CCC2 ZINC000153898352 1129078798 /nfs/dbraw/zinc/07/87/98/1129078798.db2.gz OFXPTBOOUWEGFE-OAHLLOKOSA-N 0 1 287.432 3.664 20 0 CHADMN c1coc(-c2nc(CN3CC[C@@H]4CCC[C@H]43)cs2)c1 ZINC000426491953 1122804243 /nfs/dbraw/zinc/80/42/43/1122804243.db2.gz LRNBTKBZFPZDBR-WCQYABFASA-N 0 1 274.389 3.778 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CC[C@@H]3CCC[C@@H]32)s1 ZINC000426494912 1122806652 /nfs/dbraw/zinc/80/66/52/1122806652.db2.gz IADLEVJCBWRXHU-UWVGGRQHSA-N 0 1 290.354 3.845 20 0 CHADMN Fc1ccc(/C=C\CN2CCc3sccc3C2)cc1 ZINC000506689402 1122808251 /nfs/dbraw/zinc/80/82/51/1122808251.db2.gz KNXIUTJIRORPRF-UPHRSURJSA-N 0 1 273.376 3.959 20 0 CHADMN C[N@H+](Cc1cc(Cl)nc(Cl)c1[O-])CC1CCCC1 ZINC001237536431 1129079615 /nfs/dbraw/zinc/07/96/15/1129079615.db2.gz CLAMORFLZKVQDX-UHFFFAOYSA-N 0 1 289.206 3.716 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000153912229 1129079817 /nfs/dbraw/zinc/07/98/17/1129079817.db2.gz NXCKQNWSRFZGHI-BTDLBPIBSA-N 0 1 288.366 3.844 20 0 CHADMN CN(Cc1nc(-c2ccccc2)c[nH]1)CC1CCCC1 ZINC000154030700 1129080810 /nfs/dbraw/zinc/08/08/10/1129080810.db2.gz VLGFBBUHIBAXNV-UHFFFAOYSA-N 0 1 269.392 3.699 20 0 CHADMN C/C=C/CN[C@@H](C)c1ccccc1Br ZINC000223895262 1122830761 /nfs/dbraw/zinc/83/07/61/1122830761.db2.gz YYYBELAASZJGBB-FSIBCCDJSA-N 0 1 254.171 3.676 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccnnc1)c1ccc(Cl)s1 ZINC000925067943 1122831087 /nfs/dbraw/zinc/83/10/87/1122831087.db2.gz RAWSPBXYDSXTKV-MWLCHTKSSA-N 0 1 281.812 3.993 20 0 CHADMN Cc1csc(CNCc2ccc(F)cc2F)c1 ZINC000379097860 1122844818 /nfs/dbraw/zinc/84/48/18/1122844818.db2.gz GFWDKULRIWNVBQ-UHFFFAOYSA-N 0 1 253.317 3.625 20 0 CHADMN Cc1ncoc1CN1CC=C(c2cccc(C)c2)CC1 ZINC000894431815 1122851671 /nfs/dbraw/zinc/85/16/71/1122851671.db2.gz ZLIGXZVCQBFSHP-UHFFFAOYSA-N 0 1 268.360 3.581 20 0 CHADMN COc1ccc(F)cc1-c1c(F)cc(F)c(O)c1F ZINC001250621353 1122852923 /nfs/dbraw/zinc/85/29/23/1122852923.db2.gz HMOPKKRBNQNMKP-UHFFFAOYSA-N 0 1 272.197 3.624 20 0 CHADMN C[C@@H]1CC(C)(C)CN1Cc1ccn(-c2ccccc2F)n1 ZINC001195195849 1122854495 /nfs/dbraw/zinc/85/44/95/1122854495.db2.gz IAQSWFYEZQFCLQ-CYBMUJFWSA-N 0 1 287.382 3.632 20 0 CHADMN CC(C)(C)C[C@@H]1CCN(Cc2cn(-c3ccccc3)nn2)C1 ZINC001195213553 1122855090 /nfs/dbraw/zinc/85/50/90/1122855090.db2.gz BHUZNLLHWFHAKN-HNNXBMFYSA-N 0 1 298.434 3.525 20 0 CHADMN CCCN(CC1CCCCC1)C(=O)C(C)(C)c1c[nH]cn1 ZINC000519533568 1122856171 /nfs/dbraw/zinc/85/61/71/1122856171.db2.gz IKWGCQRVXFMILU-UHFFFAOYSA-N 0 1 291.439 3.506 20 0 CHADMN Cc1ncoc1CN[C@H]1c2ccccc2CCC[C@H]1C ZINC000894470957 1122859533 /nfs/dbraw/zinc/85/95/33/1122859533.db2.gz OXCVFAOMHMREMY-SJKOYZFVSA-N 0 1 270.376 3.786 20 0 CHADMN CO[C@@H](CN1CC(C)(C)[C@@H]1c1cccnc1)c1ccccc1 ZINC000664819031 1122861600 /nfs/dbraw/zinc/86/16/00/1122861600.db2.gz KAWGHZOFUANIIV-ROUUACIJSA-N 0 1 296.414 3.852 20 0 CHADMN Clc1ccc(OC2CCCC2)c(NCc2cnc[nH]2)c1 ZINC000894503083 1122864487 /nfs/dbraw/zinc/86/44/87/1122864487.db2.gz HBYHFFDDZYXDQM-UHFFFAOYSA-N 0 1 291.782 3.997 20 0 CHADMN CC(C)c1nc(CN2CC(C)(C)C[C@H]2c2ccccc2)n[nH]1 ZINC001195377552 1122866909 /nfs/dbraw/zinc/86/69/09/1122866909.db2.gz YECFAJSDMGWLNA-HNNXBMFYSA-N 0 1 298.434 3.901 20 0 CHADMN COc1cccc([C@H](C)N(C)Cc2cnc(C(C)C)nc2)c1 ZINC000440456146 1122868712 /nfs/dbraw/zinc/86/87/12/1122868712.db2.gz LAESSJRTGNUSDX-AWEZNQCLSA-N 0 1 299.418 3.802 20 0 CHADMN CN(C)c1cccc(CN2CC(C)(C)[C@H]2c2ccncc2)c1 ZINC000664828834 1122873018 /nfs/dbraw/zinc/87/30/18/1122873018.db2.gz IHTXVMMTSGDZCM-GOSISDBHSA-N 0 1 295.430 3.731 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(C)(C)C(C)(C)C)n[nH]1 ZINC000506850291 1122873863 /nfs/dbraw/zinc/87/38/63/1122873863.db2.gz FTMWKFUSYLOOLX-MNOVXSKESA-N 0 1 294.443 3.568 20 0 CHADMN FC(F)(F)c1cc2[nH]c(-c3cncnc3)nc2cc1Cl ZINC001250663691 1122877555 /nfs/dbraw/zinc/87/75/55/1122877555.db2.gz AZUVNNPZXNANEU-UHFFFAOYSA-N 0 1 298.655 3.692 20 0 CHADMN COc1ccc(F)cc1-c1nc2ccc(C)cc2[nH]1 ZINC001250694796 1122878212 /nfs/dbraw/zinc/87/82/12/1122878212.db2.gz CWOXLXWTLCYPKZ-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CC(C)(C)OCCCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833886 1122880463 /nfs/dbraw/zinc/88/04/63/1122880463.db2.gz OBFDZIPZDXEHID-OAHLLOKOSA-N 0 1 276.424 3.670 20 0 CHADMN CCOc1ccncc1-c1nc2ccc(Cl)cc2[nH]1 ZINC001250793853 1122883167 /nfs/dbraw/zinc/88/31/67/1122883167.db2.gz IVSUHAJFFIWLHH-UHFFFAOYSA-N 0 1 273.723 3.677 20 0 CHADMN COc1ccc(CNC(C)(C)c2ccccc2C)o1 ZINC000894626132 1122883394 /nfs/dbraw/zinc/88/33/94/1122883394.db2.gz LJMGVRTUCYXLJX-UHFFFAOYSA-N 0 1 259.349 3.622 20 0 CHADMN C[C@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CC2(CCCC2)O1 ZINC001195799029 1122888705 /nfs/dbraw/zinc/88/87/05/1122888705.db2.gz SCWCROVQTSEPIF-GUYCJALGSA-N 0 1 289.394 3.847 20 0 CHADMN C[C@H]1CN([C@H]2CCc3ccc(F)cc32)CC2(CCCC2)O1 ZINC001195799029 1122888710 /nfs/dbraw/zinc/88/87/10/1122888710.db2.gz SCWCROVQTSEPIF-GUYCJALGSA-N 0 1 289.394 3.847 20 0 CHADMN C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC001195798497 1122889065 /nfs/dbraw/zinc/88/90/65/1122889065.db2.gz OTMNHFXBGWENCT-KBPBESRZSA-N 0 1 277.383 3.920 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1C[C@H](C)OC2(CCCC2)C1 ZINC001195798497 1122889072 /nfs/dbraw/zinc/88/90/72/1122889072.db2.gz OTMNHFXBGWENCT-KBPBESRZSA-N 0 1 277.383 3.920 20 0 CHADMN Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(F)nc2)cc1 ZINC000189295961 1129084542 /nfs/dbraw/zinc/08/45/42/1129084542.db2.gz JEZMHHXPTZOTGE-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2ccc(F)nc2)cc1 ZINC000189295961 1129084545 /nfs/dbraw/zinc/08/45/45/1129084545.db2.gz JEZMHHXPTZOTGE-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN COc1ccccc1CN(C)CCO[C@@H]1CCCC[C@@H]1C ZINC000058563761 1122891709 /nfs/dbraw/zinc/89/17/09/1122891709.db2.gz MXNKJVZMOOMROO-DOTOQJQBSA-N 0 1 291.435 3.722 20 0 CHADMN CC1=CC(=O)CN=C1NC1=CC[C@@H](C(F)(F)F)CC1 ZINC001195836222 1122893296 /nfs/dbraw/zinc/89/32/96/1122893296.db2.gz YGPUQLIGZWUVHX-SECBINFHSA-N 0 1 272.270 3.754 20 0 CHADMN Cc1ncoc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC001250928432 1122897423 /nfs/dbraw/zinc/89/74/23/1122897423.db2.gz PUICSAQQFXHCAE-UHFFFAOYSA-N 0 1 285.200 3.684 20 0 CHADMN Cc1ccccc1CN(C)Cc1cnc(C(C)C)nc1 ZINC000440470565 1122898973 /nfs/dbraw/zinc/89/89/73/1122898973.db2.gz YHXWYEATDIGJSH-UHFFFAOYSA-N 0 1 269.392 3.540 20 0 CHADMN CCN(CCCc1ccsc1)[C@@H](C)C(=O)OC(C)(C)C ZINC001196056932 1122903323 /nfs/dbraw/zinc/90/33/23/1122903323.db2.gz NOTIQXWPSPDLNW-ZDUSSCGKSA-N 0 1 297.464 3.733 20 0 CHADMN CC[C@H]1CO[C@H](C)C[N@H+]1CCOc1ccc2ccccc2c1 ZINC000506904559 1122911087 /nfs/dbraw/zinc/91/10/87/1122911087.db2.gz VQNICEBZKPUDCA-QAPCUYQASA-N 0 1 299.414 3.718 20 0 CHADMN CC[C@H]1CO[C@H](C)CN1CCOc1ccc2ccccc2c1 ZINC000506904559 1122911089 /nfs/dbraw/zinc/91/10/89/1122911089.db2.gz VQNICEBZKPUDCA-QAPCUYQASA-N 0 1 299.414 3.718 20 0 CHADMN CCC[C@H](C)N(C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000506994695 1122918052 /nfs/dbraw/zinc/91/80/52/1122918052.db2.gz LJIUVLMARUFMMQ-RYUDHWBXSA-N 0 1 266.454 3.888 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN(C)C[C@@H]1CC1(C)C ZINC001196457545 1122924296 /nfs/dbraw/zinc/92/42/96/1122924296.db2.gz BUKDSJPBGJYBHB-LBPRGKRZSA-N 0 1 294.826 3.565 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nc(C2CCCC2)no1 ZINC000154383742 1129087093 /nfs/dbraw/zinc/08/70/93/1129087093.db2.gz GEXQZDGHXMURAT-YUELXQCFSA-N 0 1 289.423 3.880 20 0 CHADMN Cc1cc(C(=O)Nc2[nH]nc3c2cccc3Cl)oc1C ZINC000154395748 1129087118 /nfs/dbraw/zinc/08/71/18/1129087118.db2.gz LJVARPSVWXSFEK-UHFFFAOYSA-N 0 1 289.722 3.678 20 0 CHADMN C/C=C\C[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC001196612256 1122927391 /nfs/dbraw/zinc/92/73/91/1122927391.db2.gz BRDZSPVGQMNGLQ-PYLYLYNFSA-N 0 1 269.392 3.741 20 0 CHADMN COC[C@]1(C)CN([C@H](C)c2ccc(C(C)C)cc2)CCO1 ZINC001196622684 1122928211 /nfs/dbraw/zinc/92/82/11/1122928211.db2.gz JYBXDTKQFFHLNP-QAPCUYQASA-N 0 1 291.435 3.608 20 0 CHADMN C/C=C\C[C@H]1CCCN(Cc2cccc(Cl)n2)C1 ZINC001196615536 1122928766 /nfs/dbraw/zinc/92/87/66/1122928766.db2.gz XAEPTLSGKCNTLR-ZRMMWKCHSA-N 0 1 264.800 3.913 20 0 CHADMN CCN1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000427014172 1122932511 /nfs/dbraw/zinc/93/25/11/1122932511.db2.gz YXFHCMOIXQGUTP-AWEZNQCLSA-N 0 1 275.783 3.887 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N(C)Cc2cnc(C)nc2)c1 ZINC000507204150 1122936036 /nfs/dbraw/zinc/93/60/36/1122936036.db2.gz QEQQOCVPAZNCJF-CQSZACIVSA-N 0 1 269.392 3.595 20 0 CHADMN CCOc1cccc(CN(C)[C@@H](C)c2ccc(C)cc2)n1 ZINC000507199608 1122936721 /nfs/dbraw/zinc/93/67/21/1122936721.db2.gz AUZVRAZZTROVGV-HNNXBMFYSA-N 0 1 284.403 3.982 20 0 CHADMN C[C@@H](c1ccccc1Br)[N@@H+](C)CC1CC1 ZINC000507226146 1122939932 /nfs/dbraw/zinc/93/99/32/1122939932.db2.gz BPSATPQYNUKIKP-JTQLQIEISA-N 0 1 268.198 3.852 20 0 CHADMN CCCCN(Cc1nc2ccc(Cl)cc2n1C)C1CC1 ZINC000507232043 1122940197 /nfs/dbraw/zinc/94/01/97/1122940197.db2.gz NQTVDXWANJSDJK-UHFFFAOYSA-N 0 1 291.826 3.991 20 0 CHADMN C[C@H](c1ccncc1)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000183710906 1129087981 /nfs/dbraw/zinc/08/79/81/1129087981.db2.gz MHJGINIFBTXMJX-LLVKDONJSA-N 0 1 276.767 3.634 20 0 CHADMN C[C@H](c1ccncc1)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000183710906 1129087985 /nfs/dbraw/zinc/08/79/85/1129087985.db2.gz MHJGINIFBTXMJX-LLVKDONJSA-N 0 1 276.767 3.634 20 0 CHADMN COc1ccc([C@H]2C[N@@H+](C[C@@H](C)CC(C)C)CCO2)cc1 ZINC001197012275 1122942437 /nfs/dbraw/zinc/94/24/37/1122942437.db2.gz BYIXOSJNAPNPQU-MAUKXSAKSA-N 0 1 291.435 3.751 20 0 CHADMN COc1ccc([C@H]2CN(C[C@@H](C)CC(C)C)CCO2)cc1 ZINC001197012275 1122942441 /nfs/dbraw/zinc/94/24/41/1122942441.db2.gz BYIXOSJNAPNPQU-MAUKXSAKSA-N 0 1 291.435 3.751 20 0 CHADMN C[C@@H]1CCC[C@@H](CN2Cc3cccnc3N3CCC[C@@H]3C2)C1 ZINC001197086035 1122943025 /nfs/dbraw/zinc/94/30/25/1122943025.db2.gz BNJBOMHUWJUFAT-JFIYKMOQSA-N 0 1 299.462 3.692 20 0 CHADMN CCCN(Cc1conc1CC)Cc1ccc(F)cc1 ZINC000507311912 1122946205 /nfs/dbraw/zinc/94/62/05/1122946205.db2.gz PFBZEASILQYZFE-UHFFFAOYSA-N 0 1 276.355 3.788 20 0 CHADMN CCc1nocc1CN(CC)[C@@H](C)c1cccc(OC)c1 ZINC000507334546 1122947238 /nfs/dbraw/zinc/94/72/38/1122947238.db2.gz QDIVWXLCBGQWLU-ZDUSSCGKSA-N 0 1 288.391 3.829 20 0 CHADMN CC[C@@H](CC1CCCC1)C(=O)Nc1cc(N(C)C)ccn1 ZINC001152320414 1122948334 /nfs/dbraw/zinc/94/83/34/1122948334.db2.gz VDOUCEGWGOODJF-AWEZNQCLSA-N 0 1 289.423 3.693 20 0 CHADMN CC(C)(C)n1cc(CN2CC[C@@]2(C)C2CCCCC2)nn1 ZINC001197240509 1122949644 /nfs/dbraw/zinc/94/96/44/1122949644.db2.gz VESQRGGWDMBHNE-KRWDZBQOSA-N 0 1 290.455 3.578 20 0 CHADMN CC(C)C[N@H+](Cc1cccc([O-])c1Cl)C1CC1 ZINC000507360825 1122951321 /nfs/dbraw/zinc/95/13/21/1122951321.db2.gz UGOIHXIKLGDBCT-UHFFFAOYSA-N 0 1 253.773 3.666 20 0 CHADMN CC(C)C[N@@H+](Cc1cccc([O-])c1Cl)C1CC1 ZINC000507360825 1122951323 /nfs/dbraw/zinc/95/13/23/1122951323.db2.gz UGOIHXIKLGDBCT-UHFFFAOYSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@H](c1ccccc1F)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664868684 1122951711 /nfs/dbraw/zinc/95/17/11/1122951711.db2.gz OZRYKOIVSRIUJF-GFCCVEGCSA-N 0 1 287.382 3.694 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664869658 1122954185 /nfs/dbraw/zinc/95/41/85/1122954185.db2.gz XOFOFUWQGMZGSM-GFCCVEGCSA-N 0 1 287.382 3.694 20 0 CHADMN Cc1nc(CCN[C@H](C)c2csc(C(C)C)n2)c(C)o1 ZINC000519606117 1122956132 /nfs/dbraw/zinc/95/61/32/1122956132.db2.gz NGOAVVZIBOFXRP-SNVBAGLBSA-N 0 1 293.436 3.765 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccc(C)s1 ZINC000507519616 1122963352 /nfs/dbraw/zinc/96/33/52/1122963352.db2.gz JJMDMRMRZBLWLC-GFCCVEGCSA-N 0 1 260.406 3.865 20 0 CHADMN Cc1cccc2c1CC[C@H]2N[C@@H](C)c1ccncc1F ZINC000334188588 1122969263 /nfs/dbraw/zinc/96/92/63/1122969263.db2.gz HEGJFWUJGKRMOY-YVEFUNNKSA-N 0 1 270.351 3.867 20 0 CHADMN C[C@@H]1C[C@H](C)CCN(Cc2cnc(Cl)c(F)c2)C1 ZINC001197902400 1122973226 /nfs/dbraw/zinc/97/32/26/1122973226.db2.gz XLAZWRNFGBLQPN-GHMZBOCLSA-N 0 1 270.779 3.742 20 0 CHADMN Cc1cccc(NC(=O)CN(C)CCC2CCCCC2)c1 ZINC000507619421 1122977163 /nfs/dbraw/zinc/97/71/63/1122977163.db2.gz YABPLIVXKPAJAG-UHFFFAOYSA-N 0 1 288.435 3.836 20 0 CHADMN CC1(C)C[C@@H](NCc2ccncc2)c2ccc(F)cc2O1 ZINC000334278986 1122980476 /nfs/dbraw/zinc/98/04/76/1122980476.db2.gz PWEIXDKCFRDPIS-OAHLLOKOSA-N 0 1 286.350 3.613 20 0 CHADMN Cc1nnc([C@H](C)N2CCC(C)(C)[C@H](c3ccccc3)C2)[nH]1 ZINC001198202106 1122982518 /nfs/dbraw/zinc/98/25/18/1122982518.db2.gz JFDOQHVKDWFONW-BBRMVZONSA-N 0 1 298.434 3.690 20 0 CHADMN Cc1ccc(CN(Cc2ccoc2)C2CC2)cc1F ZINC001198148059 1122982590 /nfs/dbraw/zinc/98/25/90/1122982590.db2.gz VDHQPPNHDKCKLC-UHFFFAOYSA-N 0 1 259.324 3.892 20 0 CHADMN COc1ccccc1-c1nc(CN(C)CC2CCC2)co1 ZINC001198414083 1122990683 /nfs/dbraw/zinc/99/06/83/1122990683.db2.gz ABLXKPGUNUYLMU-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@@H](C)C1 ZINC000334345431 1122990931 /nfs/dbraw/zinc/99/09/31/1122990931.db2.gz OWFVCDMLGNOEGO-GHMZBOCLSA-N 0 1 291.395 3.747 20 0 CHADMN C[C@H](c1nnc(-c2ccccc2F)s1)N1CC[C@@H](C)C1 ZINC000334345431 1122990936 /nfs/dbraw/zinc/99/09/36/1122990936.db2.gz OWFVCDMLGNOEGO-GHMZBOCLSA-N 0 1 291.395 3.747 20 0 CHADMN Cc1cccc([C@@H](C)NC(=O)c2[nH]nc3c2CC[C@H]3C)c1C ZINC001198478231 1122995199 /nfs/dbraw/zinc/99/51/99/1122995199.db2.gz VNODSXDTTKKWBO-DGCLKSJQSA-N 0 1 297.402 3.567 20 0 CHADMN CN(CC=C(Cl)Cl)[C@@H]1CCc2ccccc2C1 ZINC001198659341 1123004938 /nfs/dbraw/zinc/00/49/38/1123004938.db2.gz YKGIGJJIFJYZJC-CYBMUJFWSA-N 0 1 270.203 3.795 20 0 CHADMN Cc1c[nH]nc1CN1CCCCC12CCCCCC2 ZINC001198743700 1123007798 /nfs/dbraw/zinc/00/77/98/1123007798.db2.gz WPVSDYSTSORIAF-UHFFFAOYSA-N 0 1 261.413 3.797 20 0 CHADMN C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CC[C@@H](C)C1 ZINC000334408798 1123008159 /nfs/dbraw/zinc/00/81/59/1123008159.db2.gz IIDLTRQLRMDVLD-GHMZBOCLSA-N 0 1 291.782 3.793 20 0 CHADMN CCc1ccc2c(c1)CN(Cc1cc(C)ccn1)CC2 ZINC001198851858 1123012315 /nfs/dbraw/zinc/01/23/15/1123012315.db2.gz LOWCQKMKOSCTIV-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN Cc1cccc(CNCc2cc(O)cc(Cl)c2)c1 ZINC001199093622 1123020433 /nfs/dbraw/zinc/02/04/33/1123020433.db2.gz KITCEILCKNETRO-UHFFFAOYSA-N 0 1 261.752 3.644 20 0 CHADMN Cc1cnc([C@@H](C)N2CC[C@H](c3cccc(F)c3)C2)o1 ZINC000334448822 1123021080 /nfs/dbraw/zinc/02/10/80/1123021080.db2.gz JGMQEPWNSOUDDM-OCCSQVGLSA-N 0 1 274.339 3.673 20 0 CHADMN Cc1cnc([C@@H](C)N2CC[C@@H](c3cccc(F)c3)C2)o1 ZINC000334448826 1123021162 /nfs/dbraw/zinc/02/11/62/1123021162.db2.gz JGMQEPWNSOUDDM-TZMCWYRMSA-N 0 1 274.339 3.673 20 0 CHADMN C[C@H]1Oc2cc(F)ccc2[C@@H]1NCc1ccc(F)cc1 ZINC000519790638 1123025046 /nfs/dbraw/zinc/02/50/46/1123025046.db2.gz VVXCBOYDRNUKEK-QLJPJBMISA-N 0 1 275.298 3.577 20 0 CHADMN C[C@@H]1Oc2cc(F)ccc2[C@H]1NCc1ccc(F)cc1 ZINC000519790633 1123025306 /nfs/dbraw/zinc/02/53/06/1123025306.db2.gz VVXCBOYDRNUKEK-QFYYESIMSA-N 0 1 275.298 3.577 20 0 CHADMN CCCN1CCC[C@H]1C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000440643457 1123026051 /nfs/dbraw/zinc/02/60/51/1123026051.db2.gz SIDSJOSSVGJHMO-AWEZNQCLSA-N 0 1 296.361 3.611 20 0 CHADMN CCc1csc([C@H]2CCCN(C[C@@H](F)CC)C2)n1 ZINC000440700421 1123030236 /nfs/dbraw/zinc/03/02/36/1123030236.db2.gz XIAYHQXEGOXOLK-RYUDHWBXSA-N 0 1 270.417 3.633 20 0 CHADMN CCN(Cc1ccccc1Cl)CC1(CC(=O)OC)CC1 ZINC000440716012 1123034030 /nfs/dbraw/zinc/03/40/30/1123034030.db2.gz VATWQRMCANDYSL-UHFFFAOYSA-N 0 1 295.810 3.505 20 0 CHADMN CC[C@H](F)C[N@@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000440760262 1123037351 /nfs/dbraw/zinc/03/73/51/1123037351.db2.gz DEDAWVCXXSBAPK-CMPLNLGQSA-N 0 1 256.390 3.509 20 0 CHADMN CC[C@H](F)CN(C)[C@@H]1CCCc2nc(C)sc21 ZINC000440760262 1123037354 /nfs/dbraw/zinc/03/73/54/1123037354.db2.gz DEDAWVCXXSBAPK-CMPLNLGQSA-N 0 1 256.390 3.509 20 0 CHADMN CCOc1ccc(CNCc2cc(F)c(F)c(F)c2)cc1 ZINC001199750571 1123039732 /nfs/dbraw/zinc/03/97/32/1123039732.db2.gz GMFWZASVMKRPHG-UHFFFAOYSA-N 0 1 295.304 3.792 20 0 CHADMN Cc1coc(CN2CC[C@H](C(F)(F)F)C[C@H]2C)c1 ZINC000894888319 1123039951 /nfs/dbraw/zinc/03/99/51/1123039951.db2.gz MAOHJMIMVBGZNC-MNOVXSKESA-N 0 1 261.287 3.751 20 0 CHADMN CCc1nc2c(s1)[C@H](N(C)C[C@@H](F)CC)CCC2 ZINC000440795972 1123041396 /nfs/dbraw/zinc/04/13/96/1123041396.db2.gz VFTPPEMRCQGKGR-CMPLNLGQSA-N 0 1 270.417 3.763 20 0 CHADMN CCN(Cc1cnn(C)c1)[C@@H](C)c1cccc(Cl)c1 ZINC000155019452 1129095338 /nfs/dbraw/zinc/09/53/38/1129095338.db2.gz NNJRIIGBLCMQSZ-LBPRGKRZSA-N 0 1 277.799 3.657 20 0 CHADMN Cc1cc(F)cc(CN2CCC(C(F)(F)F)CC2)c1 ZINC001143580229 1123052348 /nfs/dbraw/zinc/05/23/48/1123052348.db2.gz AYCVAHJBEAGENC-UHFFFAOYSA-N 0 1 275.289 3.908 20 0 CHADMN CC[C@@H](NCc1cccc(N)c1)c1ccc(F)cc1F ZINC000647970457 1123064090 /nfs/dbraw/zinc/06/40/90/1123064090.db2.gz RBRXNEAHLSOLBP-MRXNPFEDSA-N 0 1 276.330 3.788 20 0 CHADMN CC[C@@H](CNCc1cnc(C)o1)Oc1cccc(Cl)c1 ZINC001200978699 1123066042 /nfs/dbraw/zinc/06/60/42/1123066042.db2.gz DRXGLRYCKFIWBP-ZDUSSCGKSA-N 0 1 294.782 3.584 20 0 CHADMN CC[C@H]1CCCCN1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000441185642 1123067170 /nfs/dbraw/zinc/06/71/70/1123067170.db2.gz UBVADKIDZMARBA-INIZCTEOSA-N 0 1 287.382 3.776 20 0 CHADMN CCCCN(CC(=O)Nc1sc(C)c(C)c1C)C1CC1 ZINC000441207577 1123068431 /nfs/dbraw/zinc/06/84/31/1123068431.db2.gz SRGVBBQADOGJJH-UHFFFAOYSA-N 0 1 294.464 3.876 20 0 CHADMN COCCN(Cc1ccc(F)cc1Cl)CC1CCC1 ZINC000441307002 1123076488 /nfs/dbraw/zinc/07/64/88/1123076488.db2.gz DKGFVLTZNWJGAJ-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN CCc1ccc(-c2noc(CN(C)[C@H](C)C(C)C)n2)cc1 ZINC000520391040 1123083267 /nfs/dbraw/zinc/08/32/67/1123083267.db2.gz ROIRWRYGDZBMDU-CYBMUJFWSA-N 0 1 287.407 3.775 20 0 CHADMN CCc1nocc1CN[C@H](C)c1cc(C)sc1C ZINC000647971238 1123088224 /nfs/dbraw/zinc/08/82/24/1123088224.db2.gz ZLPOENNQEGUGLJ-SNVBAGLBSA-N 0 1 264.394 3.766 20 0 CHADMN COc1nc(N=C2CCSCC2)cc2ccccc21 ZINC001201333723 1123089379 /nfs/dbraw/zinc/08/93/79/1123089379.db2.gz JEHMYUQBVZKKMS-UHFFFAOYSA-N 0 1 272.373 3.676 20 0 CHADMN C[C@H](NCCOCC1CC1)c1ccccc1Br ZINC000112545981 1123089996 /nfs/dbraw/zinc/08/99/96/1123089996.db2.gz IUFBTWMZPOCINS-NSHDSACASA-N 0 1 298.224 3.526 20 0 CHADMN Cc1cccc2nc(CNC(=O)[C@@H](C)CC3CCCC3)[nH]c21 ZINC000155155914 1129098494 /nfs/dbraw/zinc/09/84/94/1129098494.db2.gz FXTQAKXSUUTPCN-ZDUSSCGKSA-N 0 1 299.418 3.704 20 0 CHADMN CC1(C)CCCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000112702328 1123094835 /nfs/dbraw/zinc/09/48/35/1123094835.db2.gz GFABIZOZTJQHFB-UHFFFAOYSA-N 0 1 270.376 3.964 20 0 CHADMN CC(C)(C)c1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1 ZINC000473933352 1123096977 /nfs/dbraw/zinc/09/69/77/1123096977.db2.gz RLODHGIUHIQWRF-UHFFFAOYSA-N 0 1 294.358 3.508 20 0 CHADMN C[C@H](c1nc([C@@H]2CCC(F)(F)C2)no1)N1[C@H](C)CC[C@@H]1C ZINC000343242075 1123101136 /nfs/dbraw/zinc/10/11/36/1123101136.db2.gz JTCBNMAVBRFGEY-WRWGMCAJSA-N 0 1 299.365 3.906 20 0 CHADMN COc1cccc2cc([C@H](C)N[C@H](C)c3cnn(C)c3)oc21 ZINC000268766915 1129099593 /nfs/dbraw/zinc/09/95/93/1129099593.db2.gz QSJXNTHRZYLZCV-NEPJUHHUSA-N 0 1 299.374 3.587 20 0 CHADMN CC[C@@H]1CCC[C@H]1N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000330562730 1123120890 /nfs/dbraw/zinc/12/08/90/1123120890.db2.gz IWXBPCVKALPSRL-IJLUTSLNSA-N 0 1 265.401 3.596 20 0 CHADMN Fc1ccc(-n2ccc(C[N@H+]3CCC[C@@H]4CCC[C@H]43)n2)cc1 ZINC000441435149 1123123369 /nfs/dbraw/zinc/12/33/69/1123123369.db2.gz LKXHJPUHQHFQPX-KBXCAEBGSA-N 0 1 299.393 3.776 20 0 CHADMN Fc1ccc(-n2ccc(CN3CCC[C@@H]4CCC[C@H]43)n2)cc1 ZINC000441435149 1123123372 /nfs/dbraw/zinc/12/33/72/1123123372.db2.gz LKXHJPUHQHFQPX-KBXCAEBGSA-N 0 1 299.393 3.776 20 0 CHADMN CCCC[C@@H](CC)CN1CCc2cnc(SC)nc2C1 ZINC001201568220 1123125897 /nfs/dbraw/zinc/12/58/97/1123125897.db2.gz PHLVGFPCOQFALK-CYBMUJFWSA-N 0 1 293.480 3.773 20 0 CHADMN C[C@@H](NCc1cnn2ccccc12)c1csc(Cl)c1 ZINC000353912909 1123127116 /nfs/dbraw/zinc/12/71/16/1123127116.db2.gz FSBZYWYMNDIDON-SNVBAGLBSA-N 0 1 291.807 3.900 20 0 CHADMN CCCN1Cc2ccc(Br)cc2C[C@@H]1C ZINC001201652530 1123135985 /nfs/dbraw/zinc/13/59/85/1123135985.db2.gz PBZRTMASMXYOPB-JTQLQIEISA-N 0 1 268.198 3.606 20 0 CHADMN CSc1ccc(CNCCOc2ccccc2Cl)o1 ZINC001201608561 1123130953 /nfs/dbraw/zinc/13/09/53/1123130953.db2.gz ONFOXYAFFAOODW-UHFFFAOYSA-N 0 1 297.807 3.824 20 0 CHADMN Cc1ccc([C@]2(C)C[N@@H+](CCC(C)C)CCO2)cc1 ZINC001201624490 1123133125 /nfs/dbraw/zinc/13/31/25/1123133125.db2.gz SUMFSGMIHHVCHO-KRWDZBQOSA-N 0 1 261.409 3.589 20 0 CHADMN C[C@@H](c1cccnc1)N(C)Cc1cc2ccccc2n1C ZINC000639041602 1123142856 /nfs/dbraw/zinc/14/28/56/1123142856.db2.gz XIUAMZYQNFLVEE-AWEZNQCLSA-N 0 1 279.387 3.766 20 0 CHADMN C[C@@H]1Cc2ccc(Br)cc2CN1CC1CC1 ZINC001201952595 1123162549 /nfs/dbraw/zinc/16/25/49/1123162549.db2.gz WLWNJEWLVQHNLH-SNVBAGLBSA-N 0 1 280.209 3.606 20 0 CHADMN CCCC[C@@H](O)CN1CCC[C@H]1c1cc(F)ccc1F ZINC001252089845 1123151573 /nfs/dbraw/zinc/15/15/73/1123151573.db2.gz SPTQXXQLKUQQHF-CJNGLKHVSA-N 0 1 283.362 3.653 20 0 CHADMN CCC1(CC)CCCN([C@@H](C)c2nc(COC)no2)CC1 ZINC000190413320 1123156608 /nfs/dbraw/zinc/15/66/08/1123156608.db2.gz DXTSVQBPFXHKRF-ZDUSSCGKSA-N 0 1 295.427 3.569 20 0 CHADMN Cc1ccoc1CN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000266190210 1123156760 /nfs/dbraw/zinc/15/67/60/1123156760.db2.gz IKJJAPSXJQYDAQ-MRXNPFEDSA-N 0 1 259.324 3.968 20 0 CHADMN CC[C@@H](Nc1ncnc2[nH]cnc21)c1cccc(Cl)c1 ZINC000133007239 1123158313 /nfs/dbraw/zinc/15/83/13/1123158313.db2.gz JSUCUARXMRMPFL-LLVKDONJSA-N 0 1 287.754 3.570 20 0 CHADMN CCc1ccc2c(c1)[C@@H](NCc1cnccc1C)CCO2 ZINC001201919231 1123158741 /nfs/dbraw/zinc/15/87/41/1123158741.db2.gz ANCJVJDGKYOZCB-KRWDZBQOSA-N 0 1 282.387 3.566 20 0 CHADMN COc1cc(F)cc(CN[C@H](C)c2ccsc2)c1 ZINC000090972501 1123158755 /nfs/dbraw/zinc/15/87/55/1123158755.db2.gz VDIKQKLKQDOPLV-SNVBAGLBSA-N 0 1 265.353 3.747 20 0 CHADMN C[C@H]1Cc2cc(Br)ccc2CN1CC1CC1 ZINC001201952267 1123162566 /nfs/dbraw/zinc/16/25/66/1123162566.db2.gz IOCYRTISTGHYCP-JTQLQIEISA-N 0 1 280.209 3.606 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CCC(=O)C[C@@H]1C ZINC001201970942 1123164809 /nfs/dbraw/zinc/16/48/09/1123164809.db2.gz BMQLUNCYNXNSKY-GJZGRUSLSA-N 0 1 251.414 3.812 20 0 CHADMN CC(C)=CCC[C@@H](C)CCN1CCN(C(=O)C(C)C)CC1 ZINC001201994192 1123168220 /nfs/dbraw/zinc/16/82/20/1123168220.db2.gz LYVCBMVQHNVHOV-QGZVFWFLSA-N 0 1 294.483 3.559 20 0 CHADMN CC[C@H]1C[C@@H](C[N@H+]2CCc3c(F)ccc(F)c3C2)CCO1 ZINC000507776684 1123170085 /nfs/dbraw/zinc/17/00/85/1123170085.db2.gz NXTQYNDFYAGUFR-STQMWFEESA-N 0 1 295.373 3.528 20 0 CHADMN CC[C@H]1C[C@@H](CN2CCc3c(F)ccc(F)c3C2)CCO1 ZINC000507776684 1123170089 /nfs/dbraw/zinc/17/00/89/1123170089.db2.gz NXTQYNDFYAGUFR-STQMWFEESA-N 0 1 295.373 3.528 20 0 CHADMN COc1ccc(F)c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000507775066 1123170587 /nfs/dbraw/zinc/17/05/87/1123170587.db2.gz ZDLSAFKSZCSOJG-LRDDRELGSA-N 0 1 263.356 3.599 20 0 CHADMN CC(C)(C)CCN(Cc1ccccn1)Cc1ccccn1 ZINC001202055856 1123170676 /nfs/dbraw/zinc/17/06/76/1123170676.db2.gz UPENXLHDEZWXRA-UHFFFAOYSA-N 0 1 283.419 3.915 20 0 CHADMN O=C(Nc1cc(O)c(F)c(F)c1)Nc1ccccc1Cl ZINC001202064277 1123171343 /nfs/dbraw/zinc/17/13/43/1123171343.db2.gz UBGWPZVVTRZUJG-UHFFFAOYSA-N 0 1 298.676 3.968 20 0 CHADMN Cc1ccc(CNCc2ccc(Cl)cn2)c(C)c1 ZINC000776255012 1123179818 /nfs/dbraw/zinc/17/98/18/1123179818.db2.gz SZBWJNZPAJBUDN-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN C[C@H]1CN(c2ccnc3ccccc32)CC2(CCCC2)O1 ZINC000645405797 1123183836 /nfs/dbraw/zinc/18/38/36/1123183836.db2.gz KJYVQQFGYIODCC-AWEZNQCLSA-N 0 1 282.387 3.773 20 0 CHADMN C[C@H](N(Cc1nccn1C)Cc1ccccc1)C(C)(C)C ZINC000346033457 1123183983 /nfs/dbraw/zinc/18/39/83/1123183983.db2.gz QCHXRPJXDMUUDO-HNNXBMFYSA-N 0 1 285.435 3.857 20 0 CHADMN CC[N@@H+](CCCO)Cc1ccccc1Oc1ccccc1 ZINC000441617190 1123184840 /nfs/dbraw/zinc/18/48/40/1123184840.db2.gz CTCVTWAXMDYXJI-UHFFFAOYSA-N 0 1 285.387 3.683 20 0 CHADMN C[C@H](CC(=O)Nc1ccc2nc[nH]c2c1)CC(C)(C)C ZINC000620902777 1129104232 /nfs/dbraw/zinc/10/42/32/1129104232.db2.gz ZMKOYGXWYURXAZ-LLVKDONJSA-N 0 1 273.380 3.964 20 0 CHADMN C[C@H]1CCN(Cc2cnc(C(C)(C)C)s2)CCS1 ZINC000190693764 1123195870 /nfs/dbraw/zinc/19/58/70/1123195870.db2.gz AACJURZQHUVAOF-NSHDSACASA-N 0 1 284.494 3.768 20 0 CHADMN Cc1cccc(NC(=O)Nc2ccc3c(c2)CN(C)CC3)c1 ZINC001202316452 1123198632 /nfs/dbraw/zinc/19/86/32/1123198632.db2.gz DRXSHZCKFCBNHU-UHFFFAOYSA-N 0 1 295.386 3.627 20 0 CHADMN Fc1ccc(NCC2CCCCC2)cc1-c1nc[nH]n1 ZINC001202389013 1123200162 /nfs/dbraw/zinc/20/01/62/1123200162.db2.gz ZEPJPZYWPYDPSJ-UHFFFAOYSA-N 0 1 274.343 3.603 20 0 CHADMN CC[C@@H](CC(=O)Nc1nc(-c2cccs2)n[nH]1)C(C)C ZINC000729520639 1123201964 /nfs/dbraw/zinc/20/19/64/1123201964.db2.gz MEFCQXRWTKSGJH-JTQLQIEISA-N 0 1 292.408 3.544 20 0 CHADMN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCCCC1 ZINC000007377790 1123203079 /nfs/dbraw/zinc/20/30/79/1123203079.db2.gz QUMQGPOGERYYIG-AWEZNQCLSA-N 0 1 282.387 3.653 20 0 CHADMN C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCCCC1 ZINC000007377797 1123204037 /nfs/dbraw/zinc/20/40/37/1123204037.db2.gz QUMQGPOGERYYIG-CQSZACIVSA-N 0 1 282.387 3.653 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H]2CCCC[C@@H]2C)n1 ZINC000184591655 1123208799 /nfs/dbraw/zinc/20/87/99/1123208799.db2.gz FYXFWTIIIINORD-QJPTWQEYSA-N 0 1 283.441 3.552 20 0 CHADMN Cc1cn[nH]c1CNc1cc(C)cc2ccccc21 ZINC001202466814 1123209257 /nfs/dbraw/zinc/20/92/57/1123209257.db2.gz QNFUUZMEMJMHEQ-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN CC[C@@H]1CCC[C@@H]1CNCc1nc(C(C)(C)C)co1 ZINC001202456054 1123209434 /nfs/dbraw/zinc/20/94/34/1123209434.db2.gz INVRAIVXCHKSBP-CHWSQXEVSA-N 0 1 264.413 3.888 20 0 CHADMN COc1ccccc1CN(C)Cc1ccc(C)c(C)c1 ZINC001203438610 1123211545 /nfs/dbraw/zinc/21/15/45/1123211545.db2.gz MEZGPNFEORUVNU-UHFFFAOYSA-N 0 1 269.388 3.944 20 0 CHADMN Cc1sccc1NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000634218120 1129106462 /nfs/dbraw/zinc/10/64/62/1129106462.db2.gz OXAPBZHFUSTYDM-HNNXBMFYSA-N 0 1 292.448 3.792 20 0 CHADMN CCCC[C@H](O)CN[C@@H](C)c1c(F)cccc1Cl ZINC001252111748 1123214845 /nfs/dbraw/zinc/21/48/45/1123214845.db2.gz ASKKVHHFUUPMJY-QWRGUYRKSA-N 0 1 273.779 3.681 20 0 CHADMN CC(C)CCCCC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000457421157 1123231865 /nfs/dbraw/zinc/23/18/65/1123231865.db2.gz KQLJQDMMTKREAP-OAHLLOKOSA-N 0 1 296.480 3.683 20 0 CHADMN Cc1ccccc1-c1noc(CN2CC(C)(C)C[C@H]2C)n1 ZINC000665220346 1123233862 /nfs/dbraw/zinc/23/38/62/1123233862.db2.gz ZVYYQQLFKCACNU-CYBMUJFWSA-N 0 1 285.391 3.665 20 0 CHADMN CC(C)(C)NC(=O)Nc1cc(Cl)c(O)cc1Cl ZINC001202478305 1123244923 /nfs/dbraw/zinc/24/49/23/1123244923.db2.gz FISJODNUXXIRIU-UHFFFAOYSA-N 0 1 277.151 3.619 20 0 CHADMN CC(C)(O)[C@H]1CCCN1Cc1c(Cl)cccc1Cl ZINC000507896103 1123246223 /nfs/dbraw/zinc/24/62/23/1123246223.db2.gz NKVUYDMTQACREK-CYBMUJFWSA-N 0 1 288.218 3.729 20 0 CHADMN CCn1cncc1CN1CCCCC[C@@H]1c1ccc(C)o1 ZINC000417795415 1123246833 /nfs/dbraw/zinc/24/68/33/1123246833.db2.gz QUYKBWZBMZUKMS-MRXNPFEDSA-N 0 1 287.407 3.922 20 0 CHADMN CCc1ccc(CC)c(NS(=O)(=O)c2ccsc2)c1 ZINC000507923831 1123248515 /nfs/dbraw/zinc/24/85/15/1123248515.db2.gz YTSLZPPCTXPMJJ-UHFFFAOYSA-N 0 1 295.429 3.674 20 0 CHADMN COCc1csc(CN[C@@H](C)c2ccnc(Cl)c2)c1 ZINC000850282956 1123251449 /nfs/dbraw/zinc/25/14/49/1123251449.db2.gz PVOCNUFAJYNGMU-JTQLQIEISA-N 0 1 296.823 3.794 20 0 CHADMN CCOc1cccc([C@H](C)N[C@@H](C)c2cnc(C)cn2)c1 ZINC000427819294 1123252037 /nfs/dbraw/zinc/25/20/37/1123252037.db2.gz RTQKTTJEOSMIDE-KBPBESRZSA-N 0 1 285.391 3.596 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@H]2C2CCC2)c1Cl ZINC000507994638 1123253542 /nfs/dbraw/zinc/25/35/42/1123253542.db2.gz IMUJHYXKWVPYPW-ZDUSSCGKSA-N 0 1 265.784 3.810 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@H]2C2CCC2)c1Cl ZINC000507994638 1123253543 /nfs/dbraw/zinc/25/35/43/1123253543.db2.gz IMUJHYXKWVPYPW-ZDUSSCGKSA-N 0 1 265.784 3.810 20 0 CHADMN CSc1ccc([C@H](C)N[C@H](C)c2cnc(C)cn2)cc1 ZINC000427855902 1123255209 /nfs/dbraw/zinc/25/52/09/1123255209.db2.gz UNZMNRUHZZQNDB-QWHCGFSZSA-N 0 1 287.432 3.919 20 0 CHADMN Cc1nn(-c2ccccc2)c(Cl)c1CN[C@@H]1C=CCC1 ZINC000850358715 1123256278 /nfs/dbraw/zinc/25/62/78/1123256278.db2.gz VEATYSGBNMQTRS-CYBMUJFWSA-N 0 1 287.794 3.642 20 0 CHADMN C[C@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@@H]1C ZINC000074190162 1123258228 /nfs/dbraw/zinc/25/82/28/1123258228.db2.gz DHEOOHKAXMPDDF-KBPBESRZSA-N 0 1 295.386 3.553 20 0 CHADMN Cc1ccc(CN[C@H]2C[C@H](O)c3ccccc32)c(Cl)c1 ZINC000850372934 1123259359 /nfs/dbraw/zinc/25/93/59/1123259359.db2.gz BHRHUAQUZXQLSO-IRXDYDNUSA-N 0 1 287.790 3.916 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2NCc1cnn(C)c1Cl ZINC000850411762 1123264624 /nfs/dbraw/zinc/26/46/24/1123264624.db2.gz JZPVMOWMVACUML-HNNXBMFYSA-N 0 1 289.810 3.549 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccn1)c1ccc2c(c1)CCCO2 ZINC000850419890 1123264761 /nfs/dbraw/zinc/26/47/61/1123264761.db2.gz FSCBRJNOJRNPJS-ZIAGYGMSSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1occc1CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000850428112 1123266004 /nfs/dbraw/zinc/26/60/04/1123266004.db2.gz CCAXVMOQNFOSHP-GFCCVEGCSA-N 0 1 271.360 3.764 20 0 CHADMN C[C@H](N[C@@H](C)c1cc2cnccc2o1)c1ccoc1 ZINC000850445602 1123267875 /nfs/dbraw/zinc/26/78/75/1123267875.db2.gz FYXVFBYFVPJRCM-QWRGUYRKSA-N 0 1 256.305 3.833 20 0 CHADMN CCCN(CCC)c1ccc(NCc2c[nH]cn2)cc1 ZINC000895140702 1123270786 /nfs/dbraw/zinc/27/07/86/1123270786.db2.gz ROYHYWNMSYWXES-UHFFFAOYSA-N 0 1 272.396 3.648 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(Cl)c(F)c1)c1cnn(C)c1 ZINC000311568382 1129110437 /nfs/dbraw/zinc/11/04/37/1129110437.db2.gz FEQGYQXKVKJFLL-VHSXEESVSA-N 0 1 281.762 3.624 20 0 CHADMN Cc1cc([C@@H](N[C@H]2C=CCC2)c2cccnc2)ccc1F ZINC000850510378 1123278359 /nfs/dbraw/zinc/27/83/59/1123278359.db2.gz TZKDIELWKFAOAB-FUHWJXTLSA-N 0 1 282.362 3.927 20 0 CHADMN CCC[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1cccnc1 ZINC000850526423 1123282316 /nfs/dbraw/zinc/28/23/16/1123282316.db2.gz BZVUZWRYHCEBOZ-OKZBNKHCSA-N 0 1 282.387 3.691 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@@H]1C[C@H](O)c2ccccc21 ZINC000850527658 1123283208 /nfs/dbraw/zinc/28/32/08/1123283208.db2.gz BIMSUDVMBHDVOW-VHSSKADRSA-N 0 1 297.398 3.914 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCc1ccc2ccccc2c1 ZINC000520811437 1123285666 /nfs/dbraw/zinc/28/56/66/1123285666.db2.gz JNCAZRSAJOVMRO-KDOFPFPSSA-N 0 1 297.398 3.567 20 0 CHADMN Cc1cc(CN2CCCCC[C@H]2c2ccc(C)o2)n(C)n1 ZINC000417797114 1123296043 /nfs/dbraw/zinc/29/60/43/1123296043.db2.gz TYDIFBXMOAWDTI-INIZCTEOSA-N 0 1 287.407 3.747 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@@]3(CCCOC3)C2)s1 ZINC000335148014 1123311796 /nfs/dbraw/zinc/31/17/96/1123311796.db2.gz ZVJSFWFWODORDK-MRXNPFEDSA-N 0 1 294.464 3.659 20 0 CHADMN CC(C)c1ccc(CN2CCO[C@]3(CCSC3)C2)cc1 ZINC000521231256 1123312877 /nfs/dbraw/zinc/31/28/77/1123312877.db2.gz ALRWEWFBJVDQHS-QGZVFWFLSA-N 0 1 291.460 3.518 20 0 CHADMN CCn1ccnc1CN1CC[C@H](c2ccccc2)C[C@H]1C ZINC000366947838 1123318506 /nfs/dbraw/zinc/31/85/06/1123318506.db2.gz YXWRCKQXEKFPEI-WBVHZDCISA-N 0 1 283.419 3.671 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](C)c2ccccc21)c1ccccn1 ZINC000271485360 1129114268 /nfs/dbraw/zinc/11/42/68/1129114268.db2.gz OCGLMXJZGIEEIO-IGCXYCKISA-N 0 1 252.361 3.981 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2n[nH]c(C(C)C)n2)c1C ZINC000428255355 1123330178 /nfs/dbraw/zinc/33/01/78/1123330178.db2.gz XRWSGQHFVVKNRN-INIZCTEOSA-N 0 1 298.434 3.882 20 0 CHADMN CC(C)(CC[N@H+]1CCC[C@@H]1C1CCCCC1)C(=O)[O-] ZINC000688808840 1129114512 /nfs/dbraw/zinc/11/45/12/1129114512.db2.gz YGSZORLFWQYACF-CQSZACIVSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)(C)c1cc(CN2CC[C@H](C3CCC3)C2)no1 ZINC000665290335 1123334609 /nfs/dbraw/zinc/33/46/09/1123334609.db2.gz ULQNXBHWLMXACU-ZDUSSCGKSA-N 0 1 262.397 3.594 20 0 CHADMN C[C@@H](NCc1ccncc1OCC(F)F)c1cccs1 ZINC000442876805 1123345691 /nfs/dbraw/zinc/34/56/91/1123345691.db2.gz YDIMPZGSTLSKED-SNVBAGLBSA-N 0 1 298.358 3.638 20 0 CHADMN CC(C)(C)C[C@H]1CCCN1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442886903 1123346989 /nfs/dbraw/zinc/34/69/89/1123346989.db2.gz VMCPCCLBRGVXNG-LLVKDONJSA-N 0 1 289.345 3.829 20 0 CHADMN CC(C)[C@H]1N(Cc2ccc(F)cn2)CC12CCCC2 ZINC000529595911 1123347806 /nfs/dbraw/zinc/34/78/06/1123347806.db2.gz HISLHRWYYAUTLM-OAHLLOKOSA-N 0 1 262.372 3.621 20 0 CHADMN CC[C@H](c1ccc(F)cc1)N1CCO[C@@](C)(CC)C1 ZINC000442888621 1123348493 /nfs/dbraw/zinc/34/84/93/1123348493.db2.gz GTKBBRBKPUBUJN-CVEARBPZSA-N 0 1 265.372 3.778 20 0 CHADMN CC(C)CCc1noc([C@@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000443083675 1123355341 /nfs/dbraw/zinc/35/53/41/1123355341.db2.gz FEHMGYSMSWFEGZ-FRRDWIJNSA-N 0 1 265.401 3.592 20 0 CHADMN C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)CC1CCCCC1 ZINC000348074752 1123356689 /nfs/dbraw/zinc/35/66/89/1123356689.db2.gz MLZQOXLWCUDRKI-CYBMUJFWSA-N 0 1 299.418 3.646 20 0 CHADMN C[C@@H]1CCC[C@H]1CN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000467448841 1123363570 /nfs/dbraw/zinc/36/35/70/1123363570.db2.gz YTIIHACPVRDKPQ-INWMFGNUSA-N 0 1 287.382 3.664 20 0 CHADMN CCN(Cc1cccc(F)n1)Cc1ccccc1C ZINC000851719423 1123373566 /nfs/dbraw/zinc/37/35/66/1123373566.db2.gz KFBLRRRVNKEUPR-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN(CCOC(F)F)C2CC2)o1 ZINC000851711998 1123373946 /nfs/dbraw/zinc/37/39/46/1123373946.db2.gz ICIZRXOHTPERBJ-MFKMUULPSA-N 0 1 285.334 3.607 20 0 CHADMN CC(C)N(Cc1ccc(F)cc1)Cc1cccc(F)n1 ZINC000851738209 1123377568 /nfs/dbraw/zinc/37/75/68/1123377568.db2.gz BUPINLAEBNBQCE-UHFFFAOYSA-N 0 1 276.330 3.770 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)C1CC2(CCC2)C1 ZINC000335544814 1123378303 /nfs/dbraw/zinc/37/83/03/1123378303.db2.gz XBTQCDPGDRHAHS-UHFFFAOYSA-N 0 1 283.730 3.704 20 0 CHADMN CCc1nc(C)c(NC(=O)c2ccc(O)c(Cl)c2)s1 ZINC000335677376 1123392881 /nfs/dbraw/zinc/39/28/81/1123392881.db2.gz QJEIYYIXJJAUAE-UHFFFAOYSA-N 0 1 296.779 3.625 20 0 CHADMN CC[C@H](CC(F)F)CN1CCOc2ccc(OC)cc2C1 ZINC000852136609 1123397775 /nfs/dbraw/zinc/39/77/75/1123397775.db2.gz AEHNBNUGYQTXTC-GFCCVEGCSA-N 0 1 299.361 3.571 20 0 CHADMN CCN(C)Cc1cc(Br)c(Cl)s1 ZINC000191211494 1123398137 /nfs/dbraw/zinc/39/81/37/1123398137.db2.gz LPAMMRDXPVHNJM-UHFFFAOYSA-N 0 1 268.607 3.616 20 0 CHADMN CC[C@H](C)c1cc(=O)n(Cc2ccc(C(F)(F)F)cc2)[nH]1 ZINC000634591086 1129119343 /nfs/dbraw/zinc/11/93/43/1129119343.db2.gz SKPVLIKWEMDZAB-JTQLQIEISA-N 0 1 298.308 3.840 20 0 CHADMN O=C(/C=C\C1CCCC1)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000843782515 1123405573 /nfs/dbraw/zinc/40/55/73/1123405573.db2.gz WETVLFNKMJKWOT-YHYXMXQVSA-N 0 1 281.359 3.762 20 0 CHADMN CSc1ccc(-n2[nH]c3c(c2=O)C[C@@H](C)CC3)cc1 ZINC000634594372 1129119723 /nfs/dbraw/zinc/11/97/23/1129119723.db2.gz UHSMRYHDUYPBKH-GWCFXTLKSA-N 0 1 274.389 3.547 20 0 CHADMN C[C@H]1COC2(CCCC2)CN1C[C@]1(C)CC1(Cl)Cl ZINC000852635259 1123410798 /nfs/dbraw/zinc/41/07/98/1123410798.db2.gz FANQEJJXLCUFPI-RYUDHWBXSA-N 0 1 292.250 3.604 20 0 CHADMN C[C@@H]1COC2(CCCC2)CN1C[C@@]1(C)CC1(Cl)Cl ZINC000852635260 1123411192 /nfs/dbraw/zinc/41/11/92/1123411192.db2.gz FANQEJJXLCUFPI-VXGBXAGGSA-N 0 1 292.250 3.604 20 0 CHADMN CC1(C)C[C@]1(NCc1ccc(F)cn1)c1ccccc1 ZINC000852771692 1123415190 /nfs/dbraw/zinc/41/51/90/1123415190.db2.gz BKCQCNNNWBKAGU-KRWDZBQOSA-N 0 1 270.351 3.636 20 0 CHADMN Cc1cc(CN[C@H](c2cccnc2)C2CC2)cc(Cl)n1 ZINC000797600598 1123425438 /nfs/dbraw/zinc/42/54/38/1123425438.db2.gz AQWSSSPAQKKZOK-INIZCTEOSA-N 0 1 287.794 3.679 20 0 CHADMN O=C1[C@H]2CCCCCC2=NN1c1ccc(OC(F)F)cc1 ZINC000634602518 1129120898 /nfs/dbraw/zinc/12/08/98/1129120898.db2.gz ULTXRKKQSNGZIR-LBPRGKRZSA-N 0 1 294.301 3.571 20 0 CHADMN O=c1c2c([nH]n1-c1ccc(OC(F)F)cc1)CCCCC2 ZINC000634602518 1129120899 /nfs/dbraw/zinc/12/08/99/1129120899.db2.gz ULTXRKKQSNGZIR-LBPRGKRZSA-N 0 1 294.301 3.571 20 0 CHADMN COCC1(C2CCC2)CN(C/C=C\c2cccc(F)c2)C1 ZINC000895251727 1123427259 /nfs/dbraw/zinc/42/72/59/1123427259.db2.gz MLBWWESXKCFBCI-XQRVVYSFSA-N 0 1 289.394 3.587 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000853240084 1123429072 /nfs/dbraw/zinc/42/90/72/1123429072.db2.gz FVVWSJAVDDDHOW-JSGCOSHPSA-N 0 1 297.402 3.522 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc2c(c1)CCCO2)c1cncs1 ZINC000853243235 1123430106 /nfs/dbraw/zinc/43/01/06/1123430106.db2.gz ZPJRLIXKRBPVSH-VXGBXAGGSA-N 0 1 288.416 3.880 20 0 CHADMN Cc1cc2ccccc2nc1N1N=C2CC[C@@H](C)C[C@H]2C1=O ZINC000634615797 1129121590 /nfs/dbraw/zinc/12/15/90/1129121590.db2.gz RMTXQRLUDBMRGJ-BXUZGUMPSA-N 0 1 293.370 3.682 20 0 CHADMN CCc1c(=O)n(-c2cccc3cnccc32)[nH]c1C(C)C ZINC000634622980 1129121756 /nfs/dbraw/zinc/12/17/56/1129121756.db2.gz UKBJFEGBTRYXOU-ZDUSSCGKSA-N 0 1 281.359 3.620 20 0 CHADMN Cc1noc(C)c1CCN1CCc2cc(Cl)ccc2C1 ZINC000335839359 1123441601 /nfs/dbraw/zinc/44/16/01/1123441601.db2.gz NEGNWSLDXFYDCT-UHFFFAOYSA-N 0 1 290.794 3.546 20 0 CHADMN CC(C)CN(C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000443621643 1123448921 /nfs/dbraw/zinc/44/89/21/1123448921.db2.gz HIUBMJXPORPUEC-UHFFFAOYSA-N 0 1 280.318 3.708 20 0 CHADMN Cc1cc(CN2CCC(c3ccco3)CC2)cnc1F ZINC000895322556 1123455284 /nfs/dbraw/zinc/45/52/84/1123455284.db2.gz XWUZDJLWZXAOCO-UHFFFAOYSA-N 0 1 274.339 3.502 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@H](C)C[C@H](C)C2)n1 ZINC000443637232 1123456315 /nfs/dbraw/zinc/45/63/15/1123456315.db2.gz AQSAEXKOSZIALI-IHRRRGAJSA-N 0 1 279.428 3.841 20 0 CHADMN CC1(C)CN(CC[C@@H](O)c2ccccc2)[C@H]1c1ccncc1 ZINC000854040333 1123466832 /nfs/dbraw/zinc/46/68/32/1123466832.db2.gz QOSWTXAXQZHWTG-MSOLQXFVSA-N 0 1 296.414 3.588 20 0 CHADMN CCC1(c2nc([C@H](N)C(C)C)no2)CCC(F)(F)CC1 ZINC000854133113 1123470227 /nfs/dbraw/zinc/47/02/27/1123470227.db2.gz SQYAMPOOMSBHLZ-SNVBAGLBSA-N 0 1 287.354 3.583 20 0 CHADMN CC[C@@H](NC)c1nc(-c2ccc3sccc3c2)no1 ZINC000854139389 1123471351 /nfs/dbraw/zinc/47/13/51/1123471351.db2.gz SSATUARBLGWOBB-LLVKDONJSA-N 0 1 273.361 3.622 20 0 CHADMN CSc1ccc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)o1 ZINC000895413454 1123476910 /nfs/dbraw/zinc/47/69/10/1123476910.db2.gz DOYRBBFACQBCME-ZDUSSCGKSA-N 0 1 289.400 3.697 20 0 CHADMN FC1CCN(Cc2cnc(-c3cccs3)s2)CC1 ZINC000895550367 1123491937 /nfs/dbraw/zinc/49/19/37/1123491937.db2.gz QBCXWOBYABKUEF-UHFFFAOYSA-N 0 1 282.409 3.806 20 0 CHADMN Fc1ccc(C2CCN(C/C=C\Cl)CC2)cc1F ZINC000729543496 1123494403 /nfs/dbraw/zinc/49/44/03/1123494403.db2.gz UARDVNHIHNYDQU-BHQIHCQQSA-N 0 1 271.738 3.897 20 0 CHADMN Clc1csc(CN2CC[C@@H](c3nccs3)C2)c1 ZINC000895582405 1123495514 /nfs/dbraw/zinc/49/55/14/1123495514.db2.gz UBLMDMJOHOXILI-SECBINFHSA-N 0 1 284.837 3.848 20 0 CHADMN CCCCC[C@@H](CC)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000854810297 1123495771 /nfs/dbraw/zinc/49/57/71/1123495771.db2.gz POAAWCOEXAKPGG-CQSZACIVSA-N 0 1 287.407 3.786 20 0 CHADMN CC(C)[C@@H](c1ccccc1)N(C)CN1CCSC1=S ZINC000112694850 1123496590 /nfs/dbraw/zinc/49/65/90/1123496590.db2.gz XNRQLESFOACFBT-AWEZNQCLSA-N 0 1 294.489 3.607 20 0 CHADMN CC(C)c1ncc(CN2CC(CC3CCOCC3)C2)s1 ZINC000895614934 1123496927 /nfs/dbraw/zinc/49/69/27/1123496927.db2.gz DOINVQASHZCLQW-UHFFFAOYSA-N 0 1 294.464 3.515 20 0 CHADMN CC(C)C[C@@H](C[N@@H+](C)Cc1cc[nH]n1)c1ccccc1 ZINC000474262529 1123497267 /nfs/dbraw/zinc/49/72/67/1123497267.db2.gz CEKFOCNAUORWTE-INIZCTEOSA-N 0 1 271.408 3.671 20 0 CHADMN CC(C)C[C@@H](CN(C)Cc1cc[nH]n1)c1ccccc1 ZINC000474262529 1123497269 /nfs/dbraw/zinc/49/72/69/1123497269.db2.gz CEKFOCNAUORWTE-INIZCTEOSA-N 0 1 271.408 3.671 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccns2)c2c(n1)CCCC2 ZINC000895664270 1123503258 /nfs/dbraw/zinc/50/32/58/1123503258.db2.gz WUOJSAZUKHAMMC-GFCCVEGCSA-N 0 1 287.432 3.576 20 0 CHADMN CN(C)Cc1cc(N[C@H]2CCOC(C)(C)C2)ccc1Cl ZINC000634682756 1129126021 /nfs/dbraw/zinc/12/60/21/1129126021.db2.gz AIFNTGFOSCDFGM-AWEZNQCLSA-N 0 1 296.842 3.771 20 0 CHADMN CC(C)[C@@H](CNCc1nc(C(F)F)no1)c1ccccc1 ZINC000895724166 1123508356 /nfs/dbraw/zinc/50/83/56/1123508356.db2.gz GCQWHVQUMKZDEJ-GFCCVEGCSA-N 0 1 295.333 3.537 20 0 CHADMN CC(C)[C@H](NCc1ccc[nH]c1=O)c1ccc(F)cc1F ZINC000634686037 1129126168 /nfs/dbraw/zinc/12/61/68/1129126168.db2.gz AIYPDFPUSDNBEC-HNNXBMFYSA-N 0 1 292.329 3.552 20 0 CHADMN COc1ccc2nc(CNCc3ccc(C)cc3)sc2c1 ZINC000474358097 1123510658 /nfs/dbraw/zinc/51/06/58/1123510658.db2.gz BAZHSDIFBKLMAD-UHFFFAOYSA-N 0 1 298.411 3.903 20 0 CHADMN OCC[C@H](NCc1cc(F)cc(Cl)c1)c1cccs1 ZINC000776801775 1123513855 /nfs/dbraw/zinc/51/38/55/1123513855.db2.gz ZGVDFEKYSJNARA-ZDUSSCGKSA-N 0 1 299.798 3.754 20 0 CHADMN CCc1ccccc1CNCc1cnc(C2CC2)s1 ZINC000134353094 1123520533 /nfs/dbraw/zinc/52/05/33/1123520533.db2.gz BUOKOWABBYGMPP-UHFFFAOYSA-N 0 1 272.417 3.873 20 0 CHADMN C[C@H]1CC[C@@H](CC(=O)Nc2cc(F)cc(Cl)c2O)C1 ZINC000474444871 1123531378 /nfs/dbraw/zinc/53/13/78/1123531378.db2.gz IYPSMGBIUBZHOL-DTWKUNHWSA-N 0 1 285.746 3.950 20 0 CHADMN Cc1cccc(C(=O)Nc2cc(F)cc(Cl)c2O)c1F ZINC000474451461 1123532057 /nfs/dbraw/zinc/53/20/57/1123532057.db2.gz YFQAHTGPLCPKHF-UHFFFAOYSA-N 0 1 297.688 3.885 20 0 CHADMN Cc1nccnc1CN[C@@H]1CCc2cccc3cccc1c32 ZINC000895937507 1123533402 /nfs/dbraw/zinc/53/34/02/1123533402.db2.gz XQMQHLLTTRZMHC-QGZVFWFLSA-N 0 1 289.382 3.715 20 0 CHADMN COc1ccc(CN2CCCCCC2)c(Cl)c1OC ZINC000157388946 1129127921 /nfs/dbraw/zinc/12/79/21/1129127921.db2.gz CWJBXMTZPBCGNL-UHFFFAOYSA-N 0 1 283.799 3.733 20 0 CHADMN COC1(CCN(C)Cc2ccc(F)cc2Cl)CCC1 ZINC000338982060 1123539426 /nfs/dbraw/zinc/53/94/26/1123539426.db2.gz SVWSCAUILNQNAK-UHFFFAOYSA-N 0 1 285.790 3.870 20 0 CHADMN FC(F)(F)c1nc(CNCC2(CC3CC3)CC2)cs1 ZINC000895995118 1123541169 /nfs/dbraw/zinc/54/11/69/1123541169.db2.gz PFPFJLAESZJQOW-UHFFFAOYSA-N 0 1 290.354 3.832 20 0 CHADMN Cc1ccnc(NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)c1 ZINC000896131329 1123553106 /nfs/dbraw/zinc/55/31/06/1123553106.db2.gz LYLIMPLTAAKQJV-UKRRQHHQSA-N 0 1 274.314 3.851 20 0 CHADMN COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2ccc(C)cn2)c1 ZINC000544367014 1123553867 /nfs/dbraw/zinc/55/38/67/1123553867.db2.gz HLYXKVIKCYDIJM-KXBFYZLASA-N 0 1 296.414 3.982 20 0 CHADMN CSCC1CCN(c2ccncc2C(F)(F)F)CC1 ZINC000896209715 1123561694 /nfs/dbraw/zinc/56/16/94/1123561694.db2.gz AKYQVWCBHSZCAI-UHFFFAOYSA-N 0 1 290.354 3.680 20 0 CHADMN C/C(=C\c1cccc(C(F)(F)F)c1)CNCc1ncc[nH]1 ZINC000639371096 1123562010 /nfs/dbraw/zinc/56/20/10/1123562010.db2.gz IHBUNBNICKBHHZ-YRNVUSSQSA-N 0 1 295.308 3.622 20 0 CHADMN CCOc1ccc(CNCc2cc(C)oc2C)cc1 ZINC000114505090 1123564914 /nfs/dbraw/zinc/56/49/14/1123564914.db2.gz GGJKWHVOSMXFOP-UHFFFAOYSA-N 0 1 259.349 3.585 20 0 CHADMN CCCc1ccc(CNCc2cccc(F)n2)s1 ZINC000856775075 1123568170 /nfs/dbraw/zinc/56/81/70/1123568170.db2.gz CTZSHMCFUOZQSM-UHFFFAOYSA-N 0 1 264.369 3.525 20 0 CHADMN Cc1cnc(CCN(C)[C@H](C)c2ccc(F)cc2F)s1 ZINC000157620076 1129130661 /nfs/dbraw/zinc/13/06/61/1129130661.db2.gz SPIBNOVRHHEZPX-LLVKDONJSA-N 0 1 296.386 3.965 20 0 CHADMN CCOc1cncc(CN2Cc3ccccc3[C@H](C)C2)c1 ZINC000857011107 1123577949 /nfs/dbraw/zinc/57/79/49/1123577949.db2.gz JLFIDBZWFQHHGI-CQSZACIVSA-N 0 1 282.387 3.600 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cccc3c2OCO3)s1 ZINC000041632223 1123592946 /nfs/dbraw/zinc/59/29/46/1123592946.db2.gz SWAIXXGNKLSWOE-LLVKDONJSA-N 0 1 289.400 3.890 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2ncc(-c3cccs3)o2)C1 ZINC000041646285 1123594256 /nfs/dbraw/zinc/59/42/56/1123594256.db2.gz DNDYXDSBGPSQAX-VXGBXAGGSA-N 0 1 276.405 3.881 20 0 CHADMN C[C@H]1c2cccc(Br)c2CCN1CCCF ZINC000509502211 1123606476 /nfs/dbraw/zinc/60/64/76/1123606476.db2.gz HQXIJEWMTKZJPP-JTQLQIEISA-N 0 1 286.188 3.728 20 0 CHADMN CC1CCC(N(Cc2nccs2)C2CC2)CC1 ZINC000179198599 1123599454 /nfs/dbraw/zinc/59/94/54/1123599454.db2.gz JNMAVLCIHJERQN-UHFFFAOYSA-N 0 1 250.411 3.686 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C)o2)cc1Cl ZINC000179214113 1123599482 /nfs/dbraw/zinc/59/94/82/1123599482.db2.gz FGMCGYOKXCMMRZ-UHFFFAOYSA-N 0 1 279.767 3.882 20 0 CHADMN CCCn1c(C)nnc1C[N@@H+](CCC)CC1CCCCC1 ZINC000179257198 1123600290 /nfs/dbraw/zinc/60/02/90/1123600290.db2.gz FWIBDGZRHCUXRU-UHFFFAOYSA-N 0 1 292.471 3.789 20 0 CHADMN CCCN(Cc1nnc(C)n1CCC)CC1CCCCC1 ZINC000179257198 1123600293 /nfs/dbraw/zinc/60/02/93/1123600293.db2.gz FWIBDGZRHCUXRU-UHFFFAOYSA-N 0 1 292.471 3.789 20 0 CHADMN CC(C)c1ccc(CCN[C@H](c2ncccn2)C2CC2)cc1 ZINC000896598080 1123604132 /nfs/dbraw/zinc/60/41/32/1123604132.db2.gz BTTZVVSDJPYALO-SFHVURJKSA-N 0 1 295.430 3.883 20 0 CHADMN CCON(CC1CCCCC1)C(=O)c1cn[nH]c1C(C)C ZINC000857531411 1123604659 /nfs/dbraw/zinc/60/46/59/1123604659.db2.gz JFKLNCVSZKWDTH-UHFFFAOYSA-N 0 1 293.411 3.507 20 0 CHADMN c1snnc1CNC[C@@]1(Cc2ccccc2)C=CCCC1 ZINC000639379997 1123609750 /nfs/dbraw/zinc/60/97/50/1123609750.db2.gz BZXWRCFOCVVSGT-KRWDZBQOSA-N 0 1 299.443 3.597 20 0 CHADMN Fc1cccc(Br)c1CN1CC[C@@H]2CCC[C@H]21 ZINC000474931672 1123614276 /nfs/dbraw/zinc/61/42/76/1123614276.db2.gz HYVMJPGBRFAXKX-IINYFYTJSA-N 0 1 298.199 3.963 20 0 CHADMN Fc1cccc(C2(N[C@H]3CCCc4c[nH]nc43)CCC2)c1 ZINC000857872454 1123623881 /nfs/dbraw/zinc/62/38/81/1123623881.db2.gz NCXMGXNJOKVCID-HNNXBMFYSA-N 0 1 285.366 3.595 20 0 CHADMN CCc1nn(C)c(CC)c1CN(C)[C@H](C)c1cccs1 ZINC000157872819 1129134519 /nfs/dbraw/zinc/13/45/19/1129134519.db2.gz SIXPJISEIUYIAT-GFCCVEGCSA-N 0 1 291.464 3.799 20 0 CHADMN c1cc(CN2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)co1 ZINC000858011662 1123629046 /nfs/dbraw/zinc/62/90/46/1123629046.db2.gz XLAHKKMUBKOGHA-KRWDZBQOSA-N 0 1 298.386 3.595 20 0 CHADMN CSc1ccc([C@H](C)NCc2ccnc(F)c2)cc1 ZINC000858093204 1123630707 /nfs/dbraw/zinc/63/07/07/1123630707.db2.gz UYQZNQXFKDRJEI-NSHDSACASA-N 0 1 276.380 3.793 20 0 CHADMN CCOc1ccccc1[C@H](CC)NCc1ccnc(F)c1 ZINC000858120887 1123633538 /nfs/dbraw/zinc/63/35/38/1123633538.db2.gz PBILHGJCWXDZBL-HNNXBMFYSA-N 0 1 288.366 3.860 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3cc4sccc4[nH]3)ccc12 ZINC000192200168 1123634085 /nfs/dbraw/zinc/63/40/85/1123634085.db2.gz WVBMUPZBJOJCLR-UHFFFAOYSA-N 0 1 296.355 3.666 20 0 CHADMN Cc1ccc2cc(CN[C@H](C)c3ccns3)[nH]c2c1 ZINC000858318018 1123644549 /nfs/dbraw/zinc/64/45/49/1123644549.db2.gz KGETWSFAARXZNO-LLVKDONJSA-N 0 1 271.389 3.784 20 0 CHADMN Clc1csc(NC[C@H](c2ccco2)N2CCCC2)n1 ZINC000858315567 1123644562 /nfs/dbraw/zinc/64/45/62/1123644562.db2.gz SCLGGBMXDQHFPI-SNVBAGLBSA-N 0 1 297.811 3.639 20 0 CHADMN Fc1cnccc1CN[C@H]1CCc2ccc(Cl)cc21 ZINC000858320892 1123645018 /nfs/dbraw/zinc/64/50/18/1123645018.db2.gz MCJMKOSFBYFMGO-HNNXBMFYSA-N 0 1 276.742 3.651 20 0 CHADMN CC(C)n1nccc1CN[C@H]1CCc2ccc(Cl)cc21 ZINC000858320824 1123645483 /nfs/dbraw/zinc/64/54/83/1123645483.db2.gz JSCLHMSMLKYSSB-INIZCTEOSA-N 0 1 289.810 3.895 20 0 CHADMN CCc1nnc([C@H](C)N[C@@H](C)[C@H](C)C2CCCCC2)o1 ZINC000329695737 1123645787 /nfs/dbraw/zinc/64/57/87/1123645787.db2.gz XPTVFNNBSGZRKC-AVGNSLFASA-N 0 1 279.428 3.888 20 0 CHADMN Cc1ccc(CNCc2cnc(C(F)(F)F)s2)cc1 ZINC000443957508 1123649583 /nfs/dbraw/zinc/64/95/83/1123649583.db2.gz BEWYCDPZYXXKGB-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN Cc1csc([C@@H](C)Nc2ccc(CN(C)C)c(F)c2)n1 ZINC000858401325 1123651431 /nfs/dbraw/zinc/65/14/31/1123651431.db2.gz OVJHFESBUMDHLO-LLVKDONJSA-N 0 1 293.411 3.825 20 0 CHADMN CCc1cnc(CN2CC3(CC=CC3)[C@H]2C(C)C)s1 ZINC000648072563 1123652726 /nfs/dbraw/zinc/65/27/26/1123652726.db2.gz JACZLZUJQYKLKY-OAHLLOKOSA-N 0 1 276.449 3.882 20 0 CHADMN CCOCCCN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000121202932 1123659202 /nfs/dbraw/zinc/65/92/02/1123659202.db2.gz LQNOTDJUMZCNTQ-HNNXBMFYSA-N 0 1 299.867 3.857 20 0 CHADMN CCC[C@@H](C)N(C)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000029447787 1123661246 /nfs/dbraw/zinc/66/12/46/1123661246.db2.gz LUZQQAACDJXQNI-CYBMUJFWSA-N 0 1 285.391 3.646 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)cc1N(C)C)c1ccns1 ZINC000858575811 1123664000 /nfs/dbraw/zinc/66/40/00/1123664000.db2.gz FPOGTPMTJMMUJX-GHMZBOCLSA-N 0 1 293.411 3.760 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(-n2cccn2)cc1)c1ccns1 ZINC000858577558 1123664503 /nfs/dbraw/zinc/66/45/03/1123664503.db2.gz KZSFIGIAMZLQDL-CHWSQXEVSA-N 0 1 298.415 3.741 20 0 CHADMN C[C@H](N[C@H]1CCc2ccc(F)cc21)c1ccns1 ZINC000858577259 1123664650 /nfs/dbraw/zinc/66/46/50/1123664650.db2.gz JSUWNHJSOWELJL-ZANVPECISA-N 0 1 262.353 3.620 20 0 CHADMN COCc1cccc2sc(=NCc3ccsc3)[nH]c21 ZINC000346113000 1123664775 /nfs/dbraw/zinc/66/47/75/1123664775.db2.gz DFJLKYQNPVXCBJ-UHFFFAOYSA-N 0 1 290.413 3.538 20 0 CHADMN CCOc1cccc([C@@H](C)N[C@H](C)c2ccns2)c1 ZINC000858577484 1123664812 /nfs/dbraw/zinc/66/48/12/1123664812.db2.gz QFMPKZQKHMZQLO-VXGBXAGGSA-N 0 1 276.405 3.954 20 0 CHADMN Cc1cc(CN(C)Cc2ccoc2)cc2cccnc12 ZINC000346118054 1123665395 /nfs/dbraw/zinc/66/53/95/1123665395.db2.gz CLLZIISQBTWGMF-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@H]1CCc2ccc(Cl)cc21 ZINC000858582639 1123665452 /nfs/dbraw/zinc/66/54/52/1123665452.db2.gz RWPLFWQPRNRPME-BZNIZROVSA-N 0 1 287.794 3.777 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccns1)c1ccc(-n2ccnc2)cc1 ZINC000858579993 1123665581 /nfs/dbraw/zinc/66/55/81/1123665581.db2.gz ZTXSNBYWBMEVHB-OLZOCXBDSA-N 0 1 298.415 3.741 20 0 CHADMN CCS[C@H]1CCCC[N@@H+](Cc2ncc(CC)s2)C1 ZINC000346185154 1123668285 /nfs/dbraw/zinc/66/82/85/1123668285.db2.gz WXEBQWZWPMGFQO-ZDUSSCGKSA-N 0 1 284.494 3.813 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1cccc2c1OCO2 ZINC001141958625 1123671082 /nfs/dbraw/zinc/67/10/82/1123671082.db2.gz PTRINHVQMJVCGH-RMKNXTFCSA-N 0 1 281.355 3.561 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3ccccc31)CO2 ZINC000346196749 1123671163 /nfs/dbraw/zinc/67/11/63/1123671163.db2.gz PGOZTJROWBKYGU-SJORKVTESA-N 0 1 283.346 3.926 20 0 CHADMN Cc1cc(C)cc(COc2ccccc2-c2nnc[nH]2)c1 ZINC000158087841 1129138313 /nfs/dbraw/zinc/13/83/13/1129138313.db2.gz OVXKRYCQFLVAOE-UHFFFAOYSA-N 0 1 279.343 3.668 20 0 CHADMN COC(C)(C)[C@@H](C)NCc1csc(-c2ccccc2)n1 ZINC000671118181 1129138323 /nfs/dbraw/zinc/13/83/23/1129138323.db2.gz WLOMGNSSWPZONA-GFCCVEGCSA-N 0 1 290.432 3.713 20 0 CHADMN Fc1cc(CN2CCC[C@@H]2c2cccs2)ccn1 ZINC000859053474 1123681289 /nfs/dbraw/zinc/68/12/89/1123681289.db2.gz HTJPOKHPNBLRLY-GFCCVEGCSA-N 0 1 262.353 3.619 20 0 CHADMN Cc1ccc(CN2CCCC[C@@H]2c2ccnn2C)s1 ZINC000281166943 1123684659 /nfs/dbraw/zinc/68/46/59/1123684659.db2.gz GNYXTSAFXPAEKI-OAHLLOKOSA-N 0 1 275.421 3.517 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1ccnc(F)c1 ZINC000859140959 1123686212 /nfs/dbraw/zinc/68/62/12/1123686212.db2.gz ADYKIWZZAKWPBA-MRXNPFEDSA-N 0 1 270.351 3.730 20 0 CHADMN CC[C@H]1CN([C@H](C)c2ccc(F)c(F)c2)CCCO1 ZINC000281212834 1123689660 /nfs/dbraw/zinc/68/96/60/1123689660.db2.gz BDLITHPBVZTLGF-YPMHNXCESA-N 0 1 269.335 3.527 20 0 CHADMN Cc1ccccc1[C@H](NCc1cc(Cl)n(C)n1)C(C)C ZINC000859233620 1123691590 /nfs/dbraw/zinc/69/15/90/1123691590.db2.gz UTXHDRXIYSBFHB-MRXNPFEDSA-N 0 1 291.826 3.869 20 0 CHADMN CO[C@@H]1C[C@@H](N[C@H](C)c2csc(C(C)C)n2)C1(C)C ZINC000346555159 1123694835 /nfs/dbraw/zinc/69/48/35/1123694835.db2.gz BXQLGMWCIVXEIJ-RAIGVLPGSA-N 0 1 282.453 3.731 20 0 CHADMN Cc1nn(C(C)C)cc1CN[C@@H]1CCc2cc(F)ccc21 ZINC000281323144 1123697562 /nfs/dbraw/zinc/69/75/62/1123697562.db2.gz KSDRDTHFJMBTPT-QGZVFWFLSA-N 0 1 287.382 3.689 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccco1)c1cc2c(s1)CCC2 ZINC000346628508 1123702341 /nfs/dbraw/zinc/70/23/41/1123702341.db2.gz YYVQPZHJEXFAIW-AAEUAGOBSA-N 0 1 291.416 3.604 20 0 CHADMN FC(F)Oc1ccc(CNc2ccc3nc[nH]c3c2)cc1 ZINC000346674248 1123705761 /nfs/dbraw/zinc/70/57/61/1123705761.db2.gz ZIFHFKPNKMPANA-UHFFFAOYSA-N 0 1 289.285 3.776 20 0 CHADMN CN(C)Cc1cc(NC2CCSCC2)ccc1Cl ZINC000281511823 1123711724 /nfs/dbraw/zinc/71/17/24/1123711724.db2.gz HFXCUYVZGSMUDU-UHFFFAOYSA-N 0 1 284.856 3.709 20 0 CHADMN Cc1cccc([C@@H](NCc2cc(Cl)n(C)n2)C(C)C)c1 ZINC000859854273 1123713835 /nfs/dbraw/zinc/71/38/35/1123713835.db2.gz VJKBNCKDBYWVBY-INIZCTEOSA-N 0 1 291.826 3.869 20 0 CHADMN CC(C)N(Cc1ccc(F)cc1)Cc1cncc(F)c1 ZINC000346824074 1123717965 /nfs/dbraw/zinc/71/79/65/1123717965.db2.gz LISOHTSIKBFXLF-UHFFFAOYSA-N 0 1 276.330 3.770 20 0 CHADMN COc1ccncc1CN1CCC[C@H]1c1cccc(C)c1 ZINC000346838040 1123725375 /nfs/dbraw/zinc/72/53/75/1123725375.db2.gz FCPFCIQQSHKFPA-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN Cc1ccccc1CN(Cc1cncc(F)c1)C1CC1 ZINC000346840448 1123726559 /nfs/dbraw/zinc/72/65/59/1123726559.db2.gz SPCBISQQAHDOJL-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1cnc[nH]1 ZINC000346859457 1123726994 /nfs/dbraw/zinc/72/69/94/1123726994.db2.gz HLQMSLFGIKMSBE-CQSZACIVSA-N 0 1 291.782 3.532 20 0 CHADMN Cc1nc([C@@H](C)NCCCNc2ccccc2F)cs1 ZINC000346858938 1123727048 /nfs/dbraw/zinc/72/70/48/1123727048.db2.gz HFWVMKXOCGLVDO-LLVKDONJSA-N 0 1 293.411 3.743 20 0 CHADMN CC[C@@](C)(NCc1nc(C)cs1)c1ccccc1 ZINC000117385652 1123728688 /nfs/dbraw/zinc/72/86/88/1123728688.db2.gz JTBZYMWPTJALNY-OAHLLOKOSA-N 0 1 260.406 3.867 20 0 CHADMN CC[N@@H+](CCC1CC1)Cc1ccn(-c2cccc(F)c2)n1 ZINC000680635957 1123738700 /nfs/dbraw/zinc/73/87/00/1123738700.db2.gz IJJBAHYKOPMQQT-UHFFFAOYSA-N 0 1 287.382 3.633 20 0 CHADMN CCN(CCC1CC1)Cc1ccn(-c2cccc(F)c2)n1 ZINC000680635957 1123738702 /nfs/dbraw/zinc/73/87/02/1123738702.db2.gz IJJBAHYKOPMQQT-UHFFFAOYSA-N 0 1 287.382 3.633 20 0 CHADMN CC(=O)C1CCN(Cc2cc(C)cc(C)c2Cl)CC1 ZINC001237702643 1129142001 /nfs/dbraw/zinc/14/20/01/1129142001.db2.gz RUESUOZRIMDJIW-UHFFFAOYSA-N 0 1 279.811 3.758 20 0 CHADMN CC[C@H](NCc1c(C)cc(C)nc1OC)c1ccccc1 ZINC000347004078 1123742754 /nfs/dbraw/zinc/74/27/54/1123742754.db2.gz AFRGOMSEBLMAIC-KRWDZBQOSA-N 0 1 284.403 3.948 20 0 CHADMN Cc1nn(C(C)C)cc1CN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000281757140 1123743425 /nfs/dbraw/zinc/74/34/25/1123743425.db2.gz WFTHSPZNLBMWLJ-KBXCAEBGSA-N 0 1 283.419 3.965 20 0 CHADMN C[C@H](Nc1ccc(Cl)c(CN(C)C)c1)c1ccccn1 ZINC000281806046 1123746395 /nfs/dbraw/zinc/74/63/95/1123746395.db2.gz YQIVWWBHRDPEOV-LBPRGKRZSA-N 0 1 289.810 3.970 20 0 CHADMN Clc1cnccc1CN1CCC[C@H](c2ccncc2)C1 ZINC000336257117 1123753284 /nfs/dbraw/zinc/75/32/84/1123753284.db2.gz FHWSPGWQXMRDKV-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)C[C@H]2C(N)=O)cc2cccnc12 ZINC000336279415 1123755611 /nfs/dbraw/zinc/75/56/11/1123755611.db2.gz BNTRRPBPFHGICQ-WBMJQRKESA-N 0 1 297.402 3.679 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)C[C@@H]2C(N)=O)cc2cccnc12 ZINC000336279414 1123756083 /nfs/dbraw/zinc/75/60/83/1123756083.db2.gz BNTRRPBPFHGICQ-MLGOLLRUSA-N 0 1 297.402 3.679 20 0 CHADMN CCc1cc(OC)ccc1CNc1nccn1CC(C)C ZINC000508466391 1123760023 /nfs/dbraw/zinc/76/00/23/1123760023.db2.gz LXRHXXIYRFZULB-UHFFFAOYSA-N 0 1 287.407 3.722 20 0 CHADMN CC[C@H](NCc1cnc(Cl)n1C)c1cccc(Cl)c1 ZINC000848528374 1123760528 /nfs/dbraw/zinc/76/05/28/1123760528.db2.gz LEBFXFXMXZFPGH-ZDUSSCGKSA-N 0 1 298.217 3.968 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cc[nH]c1C1CC1 ZINC000336337910 1123762911 /nfs/dbraw/zinc/76/29/11/1123762911.db2.gz PJGPWBVKIJAEOG-UHFFFAOYSA-N 0 1 276.723 3.503 20 0 CHADMN CCN(CC(=O)N[C@@H](C)c1cccc2ccccc21)C1CC1 ZINC000029913416 1123776666 /nfs/dbraw/zinc/77/66/66/1123776666.db2.gz NBHUANBXJRGVHQ-AWEZNQCLSA-N 0 1 296.414 3.501 20 0 CHADMN CCC[C@H](N[C@H](C)c1ccncn1)c1ccccc1 ZINC000395838193 1123779135 /nfs/dbraw/zinc/77/91/35/1123779135.db2.gz ZQIVFRDADSDDII-CJNGLKHVSA-N 0 1 255.365 3.669 20 0 CHADMN CCc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000042243275 1123782049 /nfs/dbraw/zinc/78/20/49/1123782049.db2.gz VCXSQEYHAPHVKE-HNNXBMFYSA-N 0 1 296.414 3.708 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000042355625 1123785180 /nfs/dbraw/zinc/78/51/80/1123785180.db2.gz AZYOARYRQVEIMI-CMPLNLGQSA-N 0 1 281.783 3.696 20 0 CHADMN CSCC1CCN(Cc2ccc(C(F)F)nc2)CC1 ZINC000896934601 1123788184 /nfs/dbraw/zinc/78/81/84/1123788184.db2.gz RHXYHOYBIVRHAF-UHFFFAOYSA-N 0 1 286.391 3.594 20 0 CHADMN CC[C@@H](NCc1c(C)noc1C)c1cccs1 ZINC000103744401 1123789396 /nfs/dbraw/zinc/78/93/96/1123789396.db2.gz RSKIYXFYYDOBDV-GFCCVEGCSA-N 0 1 250.367 3.594 20 0 CHADMN FC1(C2CC2)CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000896947419 1123791216 /nfs/dbraw/zinc/79/12/16/1123791216.db2.gz WOEZDKZIDIZUJZ-UHFFFAOYSA-N 0 1 280.412 3.735 20 0 CHADMN C[C@@H](N[C@H](C)c1ccncn1)c1cccc(C(F)(F)F)c1 ZINC000395915701 1123795503 /nfs/dbraw/zinc/79/55/03/1123795503.db2.gz RDLOMFMDXKQXPJ-GHMZBOCLSA-N 0 1 295.308 3.907 20 0 CHADMN CC[C@]1(CO)CCCN1Cc1ccc(Cl)cc1Cl ZINC000475130145 1123796221 /nfs/dbraw/zinc/79/62/21/1123796221.db2.gz OLQIHXYUCYVZJF-CQSZACIVSA-N 0 1 288.218 3.730 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3nc(Cl)ccc32)nc1C ZINC000840782398 1123796339 /nfs/dbraw/zinc/79/63/39/1123796339.db2.gz CBNDMGAXXWKWJM-AWEZNQCLSA-N 0 1 287.794 3.524 20 0 CHADMN CSc1cc(C)ccc1CNCc1ccnc(F)c1C ZINC000862285537 1123798000 /nfs/dbraw/zinc/79/80/00/1123798000.db2.gz UGEOLGLZWPZIMF-UHFFFAOYSA-N 0 1 290.407 3.849 20 0 CHADMN Cc1ccc(C2CCN(Cc3ccnc(F)c3C)CC2)cn1 ZINC000862314612 1123800503 /nfs/dbraw/zinc/80/05/03/1123800503.db2.gz FGTJHDBELYDBTC-UHFFFAOYSA-N 0 1 299.393 3.612 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN2CCC(O)(C3CCC3)CC2)o1 ZINC000897033642 1123801209 /nfs/dbraw/zinc/80/12/09/1123801209.db2.gz GBICSAKMYSIINI-BBRMVZONSA-N 0 1 289.419 3.530 20 0 CHADMN CCCCCCONC(=O)C(C)(C)c1ccccc1 ZINC000783557900 1123801875 /nfs/dbraw/zinc/80/18/75/1123801875.db2.gz ASBTXLDSTQWKQD-UHFFFAOYSA-N 0 1 263.381 3.592 20 0 CHADMN CC[C@H]1CCCC[C@@H]1CN1CCc2cc(Cl)nnc2C1 ZINC000862399308 1123806715 /nfs/dbraw/zinc/80/67/15/1123806715.db2.gz ZGNCGCOGJGXVNE-GXTWGEPZSA-N 0 1 293.842 3.705 20 0 CHADMN CSc1ccc([C@H](C)N[C@@H](C)c2ccncn2)cc1 ZINC000395962550 1123808879 /nfs/dbraw/zinc/80/88/79/1123808879.db2.gz JJCBBXKPYMABCL-RYUDHWBXSA-N 0 1 273.405 3.610 20 0 CHADMN Fc1cc(CNCC2(C(F)(F)F)CCCC2)c(F)cn1 ZINC000862536192 1123816222 /nfs/dbraw/zinc/81/62/22/1123816222.db2.gz HJGBJXJHNNVJGE-UHFFFAOYSA-N 0 1 294.267 3.572 20 0 CHADMN Cc1cc(CN2CC(Cc3cccs3)C2)c(C)o1 ZINC000862537819 1123816436 /nfs/dbraw/zinc/81/64/36/1123816436.db2.gz HQASZKXAIZXEAI-UHFFFAOYSA-N 0 1 261.390 3.632 20 0 CHADMN Fc1ccc([C@H]2CCCCN2C[C@H]2CCCO2)c(F)c1 ZINC000339045066 1123830847 /nfs/dbraw/zinc/83/08/47/1123830847.db2.gz PIKCHAGKULHPRQ-CZUORRHYSA-N 0 1 281.346 3.671 20 0 CHADMN Fc1ccc([C@H]2CCCCN2C[C@@H]2CCCO2)c(F)c1 ZINC000339045067 1123830947 /nfs/dbraw/zinc/83/09/47/1123830947.db2.gz PIKCHAGKULHPRQ-XJKSGUPXSA-N 0 1 281.346 3.671 20 0 CHADMN C[C@@H](C1CC1)N(CC(=O)c1cccn1C)Cc1ccccc1 ZINC000192864088 1123849231 /nfs/dbraw/zinc/84/92/31/1123849231.db2.gz DEWPCGVFMHLVBX-HNNXBMFYSA-N 0 1 296.414 3.509 20 0 CHADMN COc1ccc(OC)c(CN(C)[C@H](C)c2cccs2)c1 ZINC000158662246 1129149948 /nfs/dbraw/zinc/14/99/48/1129149948.db2.gz VLXMTHJOYBSMQQ-GFCCVEGCSA-N 0 1 291.416 3.958 20 0 CHADMN Cc1ccc(C)c(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)n1 ZINC001168064841 1123863935 /nfs/dbraw/zinc/86/39/35/1123863935.db2.gz MKFSCUYUXHVOEU-SWLSCSKDSA-N 0 1 274.314 3.945 20 0 CHADMN C[C@H](N[C@@H]1COC(C)(C)C1)c1c(F)cccc1Cl ZINC000396590291 1123865144 /nfs/dbraw/zinc/86/51/44/1123865144.db2.gz PEFPNIMSAVGJGM-UWVGGRQHSA-N 0 1 271.763 3.697 20 0 CHADMN FC(F)(F)CCNCc1cscc1Br ZINC000336683598 1123867262 /nfs/dbraw/zinc/86/72/62/1123867262.db2.gz JESKDFUEVVGCRG-UHFFFAOYSA-N 0 1 288.132 3.553 20 0 CHADMN CCc1nn(C)c(CC)c1CN(CC)Cc1ccccc1 ZINC000158698672 1129150827 /nfs/dbraw/zinc/15/08/27/1129150827.db2.gz CJRRCUJAJDMDKE-UHFFFAOYSA-N 0 1 285.435 3.567 20 0 CHADMN Cc1ncc(CN(C)[C@H](C)c2ccc(Cl)cc2)cn1 ZINC000339056816 1123872563 /nfs/dbraw/zinc/87/25/63/1123872563.db2.gz VOGGKATXPKPPJF-LLVKDONJSA-N 0 1 275.783 3.631 20 0 CHADMN CCN[C@@H](C)c1nc(-c2ccc(O[C@H](C)CC)cc2)no1 ZINC000863661813 1123886651 /nfs/dbraw/zinc/88/66/51/1123886651.db2.gz QIWDMQTWTNXFRC-NEPJUHHUSA-N 0 1 289.379 3.584 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCc2ccccc2C1 ZINC000301305578 1123889503 /nfs/dbraw/zinc/88/95/03/1123889503.db2.gz ZUXHDWSQJIGSRJ-UHFFFAOYSA-N 0 1 278.330 3.937 20 0 CHADMN CN(Cc1cncc(Cl)c1)[C@H]1CCc2ccccc21 ZINC000621246913 1129152473 /nfs/dbraw/zinc/15/24/73/1129152473.db2.gz ZMTMIPZWVGKLSY-INIZCTEOSA-N 0 1 272.779 3.854 20 0 CHADMN CC[C@H]1CCCCN1Cc1nnc(-c2cc(C)oc2C)o1 ZINC000102667639 1123905791 /nfs/dbraw/zinc/90/57/91/1123905791.db2.gz UJGOPCRZGVMCBF-ZDUSSCGKSA-N 0 1 289.379 3.711 20 0 CHADMN CC(C)CN(Cc1cnc(Cl)n1C)Cc1ccccc1 ZINC000848882588 1123912077 /nfs/dbraw/zinc/91/20/77/1123912077.db2.gz VELCCXRATTUBPP-UHFFFAOYSA-N 0 1 291.826 3.732 20 0 CHADMN COc1cncc(CN2CC([C@H]3CCC[C@@H](C)C3)C2)c1C ZINC000864055045 1123914755 /nfs/dbraw/zinc/91/47/55/1123914755.db2.gz HAIRPEPZUKDNFB-HIFRSBDPSA-N 0 1 288.435 3.657 20 0 CHADMN C[C@@]1(CCNc2ccncc2C(F)(F)F)C[C@]1(F)Cl ZINC000864091807 1123916779 /nfs/dbraw/zinc/91/67/79/1123916779.db2.gz RGZFNIJYPREKOG-GHMZBOCLSA-N 0 1 296.695 3.639 20 0 CHADMN Cc1cc(NC[C@@H](C)C[C@H](C)O)c2cc(F)ccc2n1 ZINC000301644367 1123920719 /nfs/dbraw/zinc/92/07/19/1123920719.db2.gz CJSIKCHOHQEYNC-JQWIXIFHSA-N 0 1 276.355 3.501 20 0 CHADMN CCS[C@@H]1CCC[C@H]1NCc1ncc(C(C)C)o1 ZINC000794606072 1123921919 /nfs/dbraw/zinc/92/19/19/1123921919.db2.gz SMXUDDLGTQLHEG-DGCLKSJQSA-N 0 1 268.426 3.562 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C=Cc2ccccc2)c1 ZINC000794624407 1123922436 /nfs/dbraw/zinc/92/24/36/1123922436.db2.gz PWOUFYTVBKDNHI-DHZHZOJOSA-N 0 1 295.338 3.637 20 0 CHADMN CC[C@H]1CN(c2cc(C)nc3ccc(F)cc32)C[C@H](C)O1 ZINC000301678347 1123923420 /nfs/dbraw/zinc/92/34/20/1123923420.db2.gz QZTCQGXRSIFSOG-JSGCOSHPSA-N 0 1 288.366 3.686 20 0 CHADMN Cc1cc(NC[C@H](O)CC(C)C)c2cc(F)ccc2n1 ZINC000301674143 1123923565 /nfs/dbraw/zinc/92/35/65/1123923565.db2.gz PDAACIYRNXXFKM-CYBMUJFWSA-N 0 1 276.355 3.501 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)nn1 ZINC000396605233 1123923767 /nfs/dbraw/zinc/92/37/67/1123923767.db2.gz OSAGXVJNJISNFP-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN COc1cc(CN2CCC(C)CC2)cc(Cl)c1OC ZINC000158854491 1129153806 /nfs/dbraw/zinc/15/38/06/1129153806.db2.gz NIARSBNDEOXFDF-UHFFFAOYSA-N 0 1 283.799 3.589 20 0 CHADMN CCC[C@@H](O)CNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000301789278 1123933305 /nfs/dbraw/zinc/93/33/05/1123933305.db2.gz MLCFXPHBDUOFFD-LLVKDONJSA-N 0 1 298.308 3.827 20 0 CHADMN CC(C)OCCCCNc1ccnc2cc(F)ccc21 ZINC000302097030 1123955055 /nfs/dbraw/zinc/95/50/55/1123955055.db2.gz SPAXDPMXQPFIJG-UHFFFAOYSA-N 0 1 276.355 3.991 20 0 CHADMN Cc1cnc(NC[C@H](c2ccco2)N2CCCCC2)s1 ZINC000302185930 1123960434 /nfs/dbraw/zinc/96/04/34/1123960434.db2.gz UFUBHRVJQUTFJB-CYBMUJFWSA-N 0 1 291.420 3.684 20 0 CHADMN Cc1[nH+]ccn1CCCN(C)c1cc[nH+]c2ccc(C)cc21 ZINC000302216074 1123961477 /nfs/dbraw/zinc/96/14/77/1123961477.db2.gz JHCVMLXSQMPFMK-UHFFFAOYSA-N 0 1 294.402 3.575 20 0 CHADMN OCC[C@@H](Nc1ccnc2cc(F)ccc21)c1ccco1 ZINC000302226258 1123962677 /nfs/dbraw/zinc/96/26/77/1123962677.db2.gz SOLXZRDEEOBLBB-CQSZACIVSA-N 0 1 286.306 3.503 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cccnc2F)c1C ZINC000794831966 1123964291 /nfs/dbraw/zinc/96/42/91/1123964291.db2.gz BDNIZVLQVAHCOX-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN COc1ccc(CCNc2cccc(C)n2)c(Cl)c1 ZINC000302255938 1123965251 /nfs/dbraw/zinc/96/52/51/1123965251.db2.gz ZDMCTBAIMYKWES-UHFFFAOYSA-N 0 1 276.767 3.707 20 0 CHADMN Cc1cc(N(C)[C@@H](CO)CC(C)C)c2cc(F)ccc2n1 ZINC000302382636 1123967561 /nfs/dbraw/zinc/96/75/61/1123967561.db2.gz IGBPRJPFPCCQEN-CQSZACIVSA-N 0 1 290.382 3.526 20 0 CHADMN Cc1cc(N[C@H]2CCC[C@@H]2CCO)c2cc(F)ccc2n1 ZINC000302476194 1123969434 /nfs/dbraw/zinc/96/94/34/1123969434.db2.gz VHTNLDKFLYJRMY-DOMZBBRYSA-N 0 1 288.366 3.645 20 0 CHADMN Cc1cc([C@@H](C)NCc2cccnc2F)c(C)s1 ZINC000794837601 1123971701 /nfs/dbraw/zinc/97/17/01/1123971701.db2.gz XZUOIFVPGZNGDI-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN CO[C@@H]1CC[C@H](Nc2cc(C)nc3ccc(F)cc32)C1 ZINC000302610173 1123974677 /nfs/dbraw/zinc/97/46/77/1123974677.db2.gz ALKXCRVGMXTUBC-QWHCGFSZSA-N 0 1 274.339 3.662 20 0 CHADMN Cc1nnc([C@H](C)NCCCCc2cccc(Cl)c2)o1 ZINC000621278726 1129157025 /nfs/dbraw/zinc/15/70/25/1129157025.db2.gz WZNRXVQXYPHOBS-NSHDSACASA-N 0 1 293.798 3.705 20 0 CHADMN Cc1cc(N(C)CC[C@@H]2CCCO2)c2cc(F)ccc2n1 ZINC000302717072 1123980442 /nfs/dbraw/zinc/98/04/42/1123980442.db2.gz NPRTULDNTUOWIX-AWEZNQCLSA-N 0 1 288.366 3.688 20 0 CHADMN CC(C)c1ccc(OCCNCc2cn(C3CC3)cn2)cc1 ZINC000865423624 1123983278 /nfs/dbraw/zinc/98/32/78/1123983278.db2.gz MRZAOEPNDWNJBD-UHFFFAOYSA-N 0 1 299.418 3.510 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cnc(Cl)c(F)c1)CC2 ZINC000865455334 1123986172 /nfs/dbraw/zinc/98/61/72/1123986172.db2.gz YTYXMAVVIBLSOB-AWEZNQCLSA-N 0 1 294.732 3.790 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cn(C3CC3)cn2)c1C ZINC000865465706 1123987395 /nfs/dbraw/zinc/98/73/95/1123987395.db2.gz HUMLUAYHOAPEON-CQSZACIVSA-N 0 1 269.392 3.686 20 0 CHADMN C[C@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 ZINC000261396482 1124012083 /nfs/dbraw/zinc/01/20/83/1124012083.db2.gz XRCUADGOTWPPSK-JTQLQIEISA-N 0 1 274.191 3.714 20 0 CHADMN CCOc1cc(F)cc(CNCc2sc(C)nc2C)c1 ZINC000865474541 1123987738 /nfs/dbraw/zinc/98/77/38/1123987738.db2.gz JUKZZMYQMIZQIS-UHFFFAOYSA-N 0 1 294.395 3.588 20 0 CHADMN C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000380310773 1123989688 /nfs/dbraw/zinc/98/96/88/1123989688.db2.gz UWBLOXLTAZWZRM-JFGNBEQYSA-N 0 1 299.773 3.583 20 0 CHADMN Cc1cc([C@@H](NCc2cn(C3CC3)cn2)C2CC2)ccc1F ZINC000865512129 1123990278 /nfs/dbraw/zinc/99/02/78/1123990278.db2.gz LIXPDVPVBJWJCW-SFHVURJKSA-N 0 1 299.393 3.906 20 0 CHADMN CC(C)(C)Oc1cccc(CNCc2cccc(F)n2)c1 ZINC000865507827 1123990893 /nfs/dbraw/zinc/99/08/93/1123990893.db2.gz ATDRQEOZKJEYOW-UHFFFAOYSA-N 0 1 288.366 3.688 20 0 CHADMN Cc1csc(C[C@H]2CCN(Cc3ccc(Cl)o3)C2)n1 ZINC000897299329 1123993369 /nfs/dbraw/zinc/99/33/69/1123993369.db2.gz ZAKCZGQUUQLXBW-LLVKDONJSA-N 0 1 296.823 3.763 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccc(F)c(F)c2)nc1C ZINC000314725948 1123993447 /nfs/dbraw/zinc/99/34/47/1123993447.db2.gz FXAVSUPBCUVTPM-GFCCVEGCSA-N 0 1 276.330 3.827 20 0 CHADMN Cc1cc(CN2C[C@@H](C(F)(F)F)CC[C@H]2C)ccn1 ZINC000621276107 1129159628 /nfs/dbraw/zinc/15/96/28/1129159628.db2.gz UOUCYCFTJTWGOT-YPMHNXCESA-N 0 1 272.314 3.553 20 0 CHADMN Cc1cc(C)c(/C=C/CN[C@@H]2CCn3ccnc32)cc1C ZINC000865582424 1123997193 /nfs/dbraw/zinc/99/71/93/1123997193.db2.gz IZCQDUZJJPAIHW-LAQIPUCWSA-N 0 1 281.403 3.556 20 0 CHADMN C[C@@H](Cc1ccccn1)NCc1c(Cl)cncc1Cl ZINC000865619435 1123999862 /nfs/dbraw/zinc/99/98/62/1123999862.db2.gz UFAJJJDYPFQGQU-JTQLQIEISA-N 0 1 296.201 3.504 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3cc(Br)cs3)C[C@@H]21 ZINC000307560160 1124001629 /nfs/dbraw/zinc/00/16/29/1124001629.db2.gz HCRZLONKWLHGFW-PHIMTYICSA-N 0 1 286.238 3.598 20 0 CHADMN COc1ccc(-c2nc(CN3CC[C@H](C)C3)cs2)cc1 ZINC000261380700 1124002940 /nfs/dbraw/zinc/00/29/40/1124002940.db2.gz DBZWYFFJCZNYHM-LBPRGKRZSA-N 0 1 288.416 3.661 20 0 CHADMN Fc1ccc([C@@H]2C[C@H]2Nc2cccn3cncc23)cc1F ZINC001168069678 1124004742 /nfs/dbraw/zinc/00/47/42/1124004742.db2.gz CNWRAHYDPHHWAZ-XHDPSFHLSA-N 0 1 285.297 3.581 20 0 CHADMN Fc1ccc([C@@H]2C[C@H]2Nc2ccc3nc[nH]c3c2)cc1F ZINC001168069639 1124004820 /nfs/dbraw/zinc/00/48/20/1124004820.db2.gz AVUITLLNNYNFTH-XHDPSFHLSA-N 0 1 285.297 3.809 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1c1ccncc1C(F)(F)F ZINC000865740184 1124009644 /nfs/dbraw/zinc/00/96/44/1124009644.db2.gz ADFGFJMDAXBVHK-SFYZADRCSA-N 0 1 298.230 3.878 20 0 CHADMN CCC(CC)(CNCc1nc(C)cs1)C(F)(F)F ZINC000865756098 1124010390 /nfs/dbraw/zinc/01/03/90/1124010390.db2.gz DAUGWWPVEFHSAW-UHFFFAOYSA-N 0 1 280.359 3.910 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1Cc1cc(Br)cs1 ZINC000307717021 1124028891 /nfs/dbraw/zinc/02/88/91/1124028891.db2.gz IUFGGRMNZYCZQL-DTWKUNHWSA-N 0 1 274.227 3.741 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)[C@@H]3C[C@@H]3C3CC3)cc2[nH]1 ZINC000475594385 1124030035 /nfs/dbraw/zinc/03/00/35/1124030035.db2.gz ZFJQYFZJJUTHIE-CHWSQXEVSA-N 0 1 297.402 3.845 20 0 CHADMN C[C@H]1CCc2ccc(F)cc2[C@H]1NCc1ccco1 ZINC000866215519 1124038289 /nfs/dbraw/zinc/03/82/89/1124038289.db2.gz ZIXJBPPOZWBRIY-ZBEGNZNMSA-N 0 1 259.324 3.832 20 0 CHADMN CC(C)Oc1ccc(CN[C@@H](c2ccccn2)C(C)C)cn1 ZINC000866235642 1124039469 /nfs/dbraw/zinc/03/94/69/1124039469.db2.gz IKBPKLSIEHOQBB-GOSISDBHSA-N 0 1 299.418 3.751 20 0 CHADMN Cc1cccc(CN[C@@H]2c3cc(F)ccc3CC[C@@H]2C)n1 ZINC000866237581 1124039762 /nfs/dbraw/zinc/03/97/62/1124039762.db2.gz FCOKNOOLYCDNSF-SGTLLEGYSA-N 0 1 284.378 3.942 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1c2cc(F)ccc2CC[C@H]1C ZINC000866243149 1124040183 /nfs/dbraw/zinc/04/01/83/1124040183.db2.gz STPYOZQPOIQYDQ-QGHHPUGFSA-N 0 1 288.366 3.844 20 0 CHADMN C[C@H]1CCc2ccccc2[C@@H]1NCc1ccncc1F ZINC000336222327 1124044496 /nfs/dbraw/zinc/04/44/96/1124044496.db2.gz WLSLTVHVFSUPQN-YVEFUNNKSA-N 0 1 270.351 3.634 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccc[nH]1)c1cccc(OC)c1OC ZINC000866309616 1124050096 /nfs/dbraw/zinc/05/00/96/1124050096.db2.gz AAWAECIULKIKMY-TZMCWYRMSA-N 0 1 288.391 3.834 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccc[nH]1)c1cccc(OC)c1OC ZINC000866309613 1124050496 /nfs/dbraw/zinc/05/04/96/1124050496.db2.gz AAWAECIULKIKMY-GXTWGEPZSA-N 0 1 288.391 3.834 20 0 CHADMN Fc1cccc(CN[C@H]2CCCc3c(F)cccc32)n1 ZINC000866310057 1124050516 /nfs/dbraw/zinc/05/05/16/1124050516.db2.gz SXPZOHZHBDUKLQ-HNNXBMFYSA-N 0 1 274.314 3.527 20 0 CHADMN CC[C@H]1CCCC[C@@H]1N(C)Cc1nncn1-c1ccccc1 ZINC000444686164 1124050644 /nfs/dbraw/zinc/05/06/44/1124050644.db2.gz RRMIRBFQRWYIIG-RDJZCZTQSA-N 0 1 298.434 3.668 20 0 CHADMN CC(C)[C@@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccccn1 ZINC000866311791 1124051056 /nfs/dbraw/zinc/05/10/56/1124051056.db2.gz KFXDRUMXWUAWGH-RTBURBONSA-N 0 1 295.430 3.555 20 0 CHADMN CC[C@H]1CCCC[C@H]1N(C)Cc1nc(CC(C)C)no1 ZINC000444664971 1124051448 /nfs/dbraw/zinc/05/14/48/1124051448.db2.gz SJLGZSFYETXQEG-UONOGXRCSA-N 0 1 279.428 3.669 20 0 CHADMN CC[C@@H](NCc1nccnc1C)c1ccc(Cl)cc1 ZINC000621328129 1129163052 /nfs/dbraw/zinc/16/30/52/1129163052.db2.gz HKDFYZJOXSPGLO-CQSZACIVSA-N 0 1 275.783 3.679 20 0 CHADMN CC(C)(C)[C@@H](CO)NCc1csc(C2CCCCC2)n1 ZINC000444678988 1124052253 /nfs/dbraw/zinc/05/22/53/1124052253.db2.gz YULLKZZDQYZIRA-CQSZACIVSA-N 0 1 296.480 3.687 20 0 CHADMN COCc1cccc(CN(C)Cc2cc(C)ccc2F)c1 ZINC000444737942 1124057450 /nfs/dbraw/zinc/05/74/50/1124057450.db2.gz STPHJRIDORHPFK-UHFFFAOYSA-N 0 1 287.378 3.913 20 0 CHADMN Cc1nnsc1CN[C@H]1CCc2cccc3cccc1c32 ZINC000866366184 1124058088 /nfs/dbraw/zinc/05/80/88/1124058088.db2.gz YEMDKATWHQVUCS-HNNXBMFYSA-N 0 1 295.411 3.777 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2nc(-c3cccs3)no2)C1 ZINC000444752634 1124060290 /nfs/dbraw/zinc/06/02/90/1124060290.db2.gz JXCIVUOZXBNOMW-LBPRGKRZSA-N 0 1 291.420 3.666 20 0 CHADMN C[C@@H](N[C@H]1CCc2cccc3cccc1c32)c1nccn1C ZINC000866391675 1124061050 /nfs/dbraw/zinc/06/10/50/1124061050.db2.gz NFOMSLRQEIBDFQ-DYVFJYSZSA-N 0 1 291.398 3.911 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3C)[nH]n2)o1 ZINC000195601349 1124066079 /nfs/dbraw/zinc/06/60/79/1124066079.db2.gz DBWJPRZAGGNGNC-UHFFFAOYSA-N 0 1 299.305 3.678 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)[nH]n2)o1 ZINC000195601381 1124066446 /nfs/dbraw/zinc/06/64/46/1124066446.db2.gz BUWWDEQYSMMPOQ-UHFFFAOYSA-N 0 1 295.342 3.847 20 0 CHADMN CC(C)[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccccn1 ZINC000866451968 1124068275 /nfs/dbraw/zinc/06/82/75/1124068275.db2.gz RPMXEZYHGYZDSV-GZBFAFLISA-N 0 1 250.361 3.649 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccnc(F)c1)CCCO2 ZINC000866474696 1124069744 /nfs/dbraw/zinc/06/97/44/1124069744.db2.gz ZSRGHFBPIAZZET-OAHLLOKOSA-N 0 1 286.350 3.533 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H]2CCCc3ccc(O)cc32)s1 ZINC000631707580 1124074252 /nfs/dbraw/zinc/07/42/52/1124074252.db2.gz IUJNPAHVEPPZJV-BMIGLBTASA-N 0 1 288.416 3.885 20 0 CHADMN CC(C)c1nc(CN(Cc2ccco2)c2ccccc2)n[nH]1 ZINC000428389935 1124074285 /nfs/dbraw/zinc/07/42/85/1124074285.db2.gz MZVIYYZOUCKTAA-UHFFFAOYSA-N 0 1 296.374 3.728 20 0 CHADMN CC1(C)CC(N[C@H](CO)c2c(Cl)cccc2Cl)C1 ZINC000475621955 1124074592 /nfs/dbraw/zinc/07/45/92/1124074592.db2.gz HZHATYSLSGBEDT-GFCCVEGCSA-N 0 1 288.218 3.805 20 0 CHADMN CCc1nc(CN(C)[C@@H](C)Cc2cccc(F)c2)cs1 ZINC000445225720 1124077967 /nfs/dbraw/zinc/07/79/67/1124077967.db2.gz RLOKSHCXVGJARS-LBPRGKRZSA-N 0 1 292.423 3.908 20 0 CHADMN COC1(CNCc2ncc(C(C)C)s2)CCC(C)CC1 ZINC000355423362 1124079015 /nfs/dbraw/zinc/07/90/15/1124079015.db2.gz SBYJOFFDFWZMPQ-UHFFFAOYSA-N 0 1 296.480 3.951 20 0 CHADMN CC(F)(F)C(C)(C)CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000866544368 1124080710 /nfs/dbraw/zinc/08/07/10/1124080710.db2.gz PLMDBKJWTPWJPI-ZDUSSCGKSA-N 0 1 293.361 3.770 20 0 CHADMN C[C@H](N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1cscn1 ZINC000866607645 1124086792 /nfs/dbraw/zinc/08/67/92/1124086792.db2.gz AMXGXZVAPJLMNK-IVZWLZJFSA-N 0 1 276.327 3.691 20 0 CHADMN CCOc1cncc(CN[C@H](C)c2ccc(F)c(C)c2)c1 ZINC000621340186 1129165400 /nfs/dbraw/zinc/16/54/00/1129165400.db2.gz ZXHJKRJGOZAYRL-CYBMUJFWSA-N 0 1 288.366 3.779 20 0 CHADMN CCCCN1C(=O)N=NC1SCc1cc(F)ccc1C ZINC000445568159 1124091641 /nfs/dbraw/zinc/09/16/41/1124091641.db2.gz XLPUNUCCPJKOTQ-UHFFFAOYSA-N 0 1 295.383 3.524 20 0 CHADMN CC(C)c1nc([C@@H](C)NCC[C@@H](O)C2CCCC2)cs1 ZINC000866639090 1124092653 /nfs/dbraw/zinc/09/26/53/1124092653.db2.gz WHFRHZKLCQDIHJ-IUODEOHRSA-N 0 1 296.480 3.858 20 0 CHADMN Cc1oncc1CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000445604234 1124092806 /nfs/dbraw/zinc/09/28/06/1124092806.db2.gz KQGBSDDWLLAJQY-FPLPWBNLSA-N 0 1 298.371 3.564 20 0 CHADMN CCSCCCc1noc(-c2ccc(Cl)cc2O)n1 ZINC000445743171 1124098575 /nfs/dbraw/zinc/09/85/75/1124098575.db2.gz LURYGWBSYUGJEZ-UHFFFAOYSA-N 0 1 298.795 3.781 20 0 CHADMN CCCC[C@@H](CC)CN1CCOC[C@@H]1c1cccn1C ZINC000445790571 1124100238 /nfs/dbraw/zinc/10/02/38/1124100238.db2.gz NGAPBBAWHQOPSR-NVXWUHKLSA-N 0 1 278.440 3.615 20 0 CHADMN CC[C@H]1CCCN(Cc2ccn(-c3ccccc3F)n2)C1 ZINC000445801065 1124100770 /nfs/dbraw/zinc/10/07/70/1124100770.db2.gz DOADLRARUHQFOT-AWEZNQCLSA-N 0 1 287.382 3.633 20 0 CHADMN Cc1cc(-c2noc(-c3cc(Cl)ccc3O)n2)c(C)o1 ZINC000445834527 1124104071 /nfs/dbraw/zinc/10/40/71/1124104071.db2.gz NJAOTAQDVIGHDN-UHFFFAOYSA-N 0 1 290.706 3.972 20 0 CHADMN Cc1cccc2nc(CN[C@@H](CC(F)(F)F)C(C)C)cn21 ZINC000445886848 1124105928 /nfs/dbraw/zinc/10/59/28/1124105928.db2.gz OWNJPQQXAZBYPN-ZDUSSCGKSA-N 0 1 299.340 3.709 20 0 CHADMN Cc1nc(CN[C@H](CC(F)(F)F)C(C)C)c(C)s1 ZINC000445894380 1124106563 /nfs/dbraw/zinc/10/65/63/1124106563.db2.gz AYSHCIUPEGHUNM-SNVBAGLBSA-N 0 1 280.359 3.827 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CCCCC(C)(C)C1 ZINC000446076608 1124109348 /nfs/dbraw/zinc/10/93/48/1124109348.db2.gz BSWLMFNWEQXIJC-LLVKDONJSA-N 0 1 263.385 3.520 20 0 CHADMN Cc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(C(C)C)[nH]n1 ZINC000446375972 1124113532 /nfs/dbraw/zinc/11/35/32/1124113532.db2.gz DFAGRINATJERTR-CQSZACIVSA-N 0 1 299.418 3.545 20 0 CHADMN CCCN(Cc1n[nH]c(C)n1)[C@@H](C)c1cc2ccccc2o1 ZINC000428447652 1124116139 /nfs/dbraw/zinc/11/61/39/1124116139.db2.gz PECLRAPHNBMAEM-LBPRGKRZSA-N 0 1 298.390 3.833 20 0 CHADMN CCCCc1noc(CN(C)C2CCC(C)(C)CC2)n1 ZINC000446734563 1124119743 /nfs/dbraw/zinc/11/97/43/1124119743.db2.gz FWIFECMOAFKGJQ-UHFFFAOYSA-N 0 1 279.428 3.813 20 0 CHADMN CCCN(Cc1nnc(C(C)C)[nH]1)CC1CCCCC1 ZINC000428456406 1124126577 /nfs/dbraw/zinc/12/65/77/1124126577.db2.gz HSDRQHFQGIXGJU-UHFFFAOYSA-N 0 1 278.444 3.720 20 0 CHADMN CC(C)[C@H]1CN(C(=O)c2ccc(F)cc2O)c2ccccc21 ZINC000446918552 1124128192 /nfs/dbraw/zinc/12/81/92/1124128192.db2.gz NULGWZIIUKAFLL-OAHLLOKOSA-N 0 1 299.345 3.931 20 0 CHADMN CC(C)O[C@@H](CN(C)Cc1ccoc1)c1ccccc1 ZINC000428464053 1124130670 /nfs/dbraw/zinc/13/06/70/1124130670.db2.gz XKRXDTRDZVXGRI-KRWDZBQOSA-N 0 1 273.376 3.878 20 0 CHADMN Cc1ccc(F)c(CN(C)Cc2cc(C(C)(C)C)[nH]n2)c1 ZINC000447055779 1124131203 /nfs/dbraw/zinc/13/12/03/1124131203.db2.gz IJKQDSMJMVQVDZ-UHFFFAOYSA-N 0 1 289.398 3.787 20 0 CHADMN CC(C)c1nnc(CN2CCC[C@@H]2CCc2ccccc2)[nH]1 ZINC000428465287 1124131218 /nfs/dbraw/zinc/13/12/18/1124131218.db2.gz WWLYPFJMEJSMCD-MRXNPFEDSA-N 0 1 298.434 3.525 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1C[C@@H](OC(C)C)c1ccccc1 ZINC000428467528 1124131986 /nfs/dbraw/zinc/13/19/86/1124131986.db2.gz ZWHADLBRAWQJAM-CGTJXYLNSA-N 0 1 291.435 3.652 20 0 CHADMN Cc1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c(Cl)c1 ZINC000447128846 1124134444 /nfs/dbraw/zinc/13/44/44/1124134444.db2.gz MKXLVVUOVNBNJI-CYBMUJFWSA-N 0 1 279.811 3.649 20 0 CHADMN CCCc1ccc(CNCc2oc(CC)nc2C)s1 ZINC000621356229 1129171233 /nfs/dbraw/zinc/17/12/33/1129171233.db2.gz HNRGTSNRSDDGPO-UHFFFAOYSA-N 0 1 278.421 3.849 20 0 CHADMN FC(F)[C@@H](NCCC[C@@H]1CCOC1)C1CCCCC1 ZINC000621401014 1129173148 /nfs/dbraw/zinc/17/31/48/1129173148.db2.gz ZEMUUQGYYMHMEA-OCCSQVGLSA-N 0 1 275.383 3.607 20 0 CHADMN O=C([O-])[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000414671473 1129175299 /nfs/dbraw/zinc/17/52/99/1129175299.db2.gz BBAACGYOYWGWIQ-SFHVURJKSA-N 0 1 295.382 3.650 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2cccc(OC3CCCC3)c2)[nH]1 ZINC000621471786 1129176849 /nfs/dbraw/zinc/17/68/49/1129176849.db2.gz AEMDBVBJGGELPW-UHFFFAOYSA-N 0 1 299.374 3.600 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001238780845 1131246404 /nfs/dbraw/zinc/24/64/04/1131246404.db2.gz NBJRQRMYSCWQRL-BLLLJJGKSA-N 0 1 297.801 3.788 20 0 CHADMN CC(C)Oc1cc(CN2CCCCCCC2)c(F)cn1 ZINC001238802254 1131249152 /nfs/dbraw/zinc/24/91/52/1131249152.db2.gz LEHKLLFZPPZPLD-UHFFFAOYSA-N 0 1 280.387 3.774 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(OC(C)C)ncc2F)C1 ZINC001238803103 1131249583 /nfs/dbraw/zinc/24/95/83/1131249583.db2.gz WXCUAODXTIITAI-ZDUSSCGKSA-N 0 1 280.387 3.630 20 0 CHADMN CCC(CC)Cn1[nH]c(Cc2ccccc2)cc1=O ZINC001245924431 1131250057 /nfs/dbraw/zinc/25/00/57/1131250057.db2.gz FOKIOGBNYKEWHR-UHFFFAOYSA-N 0 1 258.365 3.616 20 0 CHADMN CC(C)Oc1cc(CN2CCC3(CCCC3)C2)c(F)cn1 ZINC001238802160 1131250205 /nfs/dbraw/zinc/25/02/05/1131250205.db2.gz IXEXCNFFPGLFCJ-UHFFFAOYSA-N 0 1 292.398 3.774 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)C(F)=C1CCC1 ZINC000819498319 1131251583 /nfs/dbraw/zinc/25/15/83/1131251583.db2.gz CWLHFCOQIVVXJH-UHFFFAOYSA-N 0 1 273.666 3.531 20 0 CHADMN COc1ccc(C)cc1-n1[nH]c(C2CCCC2)cc1=O ZINC001245928990 1131255225 /nfs/dbraw/zinc/25/52/25/1131255225.db2.gz WLYPZRIGSWMHQF-UHFFFAOYSA-N 0 1 272.348 3.553 20 0 CHADMN Clc1cccc2c1C[C@@H](N1CCc3ncccc3C1)CC2 ZINC001170933734 1131259623 /nfs/dbraw/zinc/25/96/23/1131259623.db2.gz KLKKZDRMEWFXKI-HNNXBMFYSA-N 0 1 298.817 3.651 20 0 CHADMN Cc1cccc([C@@H]2CCCN2CC(=O)OC(C)(C)C)c1C ZINC000525634661 1124451084 /nfs/dbraw/zinc/45/10/84/1124451084.db2.gz JJRPBUHDFCAJIN-INIZCTEOSA-N 0 1 289.419 3.782 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1ccccc1F ZINC000525637626 1124451510 /nfs/dbraw/zinc/45/15/10/1124451510.db2.gz VLVUEPJFXOTDCZ-CYBMUJFWSA-N 0 1 255.336 3.773 20 0 CHADMN CCc1nc(C)c(CN(Cc2ccccc2)C(C)C)o1 ZINC000428475341 1124458264 /nfs/dbraw/zinc/45/82/64/1124458264.db2.gz VZGHVSWUBQIHMQ-UHFFFAOYSA-N 0 1 272.392 3.956 20 0 CHADMN C[C@@H](C1CCCCC1)N(C)Cc1nc(C(C)(C)C)no1 ZINC000447398614 1124471445 /nfs/dbraw/zinc/47/14/45/1124471445.db2.gz SWSJFQLEKQRDBI-LBPRGKRZSA-N 0 1 279.428 3.768 20 0 CHADMN CCCc1nc(CN2CCC[C@@]2(CCC)COC)cs1 ZINC000447401169 1124472217 /nfs/dbraw/zinc/47/22/17/1124472217.db2.gz VVWXJVVJHCACRO-INIZCTEOSA-N 0 1 296.480 3.877 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1cc2ccccc2[nH]c1=O ZINC001238881129 1131263027 /nfs/dbraw/zinc/26/30/27/1131263027.db2.gz FNWGKCWLCSTAHZ-UHFFFAOYSA-N 0 1 275.311 3.792 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3C[C@@H]3[C@H]3C[C@@H]3C)c2C)o1 ZINC000868858017 1124488511 /nfs/dbraw/zinc/48/85/11/1124488511.db2.gz GZGBIURHACSPKJ-HWNAMQAFSA-N 0 1 299.374 3.517 20 0 CHADMN Cc1nc2ccc(-c3cc4ccccc4[nH]c3=O)cc2[nH]1 ZINC001238881633 1131263603 /nfs/dbraw/zinc/26/36/03/1131263603.db2.gz SJZGRBQIGGOXDI-UHFFFAOYSA-N 0 1 275.311 3.792 20 0 CHADMN CCc1ccc([C@H](CO)N[C@@H](C)c2cc(C)oc2C)cc1 ZINC000447576658 1124495505 /nfs/dbraw/zinc/49/55/05/1124495505.db2.gz ZGEKYTMNVNUZNN-UGSOOPFHSA-N 0 1 287.403 3.843 20 0 CHADMN CCc1ccc([C@@H](CO)N[C@@H](C)c2cc(C)oc2C)cc1 ZINC000447576657 1124495806 /nfs/dbraw/zinc/49/58/06/1124495806.db2.gz ZGEKYTMNVNUZNN-SCLBCKFNSA-N 0 1 287.403 3.843 20 0 CHADMN C[C@H](O)c1ccc(CNc2cc[nH+]c3c([O-])cccc23)cc1 ZINC000795072277 1124509913 /nfs/dbraw/zinc/50/99/13/1124509913.db2.gz JHJDERNKDSNDBI-LBPRGKRZSA-N 0 1 294.354 3.606 20 0 CHADMN Fc1ccc([C@H](NCC23CCC(CC2)C3)c2ncc[nH]2)cc1 ZINC000526118327 1124511232 /nfs/dbraw/zinc/51/12/32/1124511232.db2.gz QFRKASOMFYVRMG-MNQCNDSGSA-N 0 1 299.393 3.808 20 0 CHADMN CC(C)c1ccccc1CN[C@@H](CO)c1ccsc1 ZINC001119819647 1131265276 /nfs/dbraw/zinc/26/52/76/1131265276.db2.gz SCAOFNIAJPODFC-INIZCTEOSA-N 0 1 275.417 3.695 20 0 CHADMN C=Cn1cc(CN(C)[C@H](C)c2ccc(C)cc2C)cn1 ZINC000447796945 1124525750 /nfs/dbraw/zinc/52/57/50/1124525750.db2.gz ZSSWZNIGSWOCQK-OAHLLOKOSA-N 0 1 269.392 3.793 20 0 CHADMN CC(C)c1nnc(CNCC(C)(C)c2cccs2)s1 ZINC001119948391 1131266747 /nfs/dbraw/zinc/26/67/47/1131266747.db2.gz HWDZYCSKWCMMCN-UHFFFAOYSA-N 0 1 295.477 3.790 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1c(C)noc1C ZINC000122860374 1124541677 /nfs/dbraw/zinc/54/16/77/1124541677.db2.gz OVDKZNQAQLDISV-MRXNPFEDSA-N 0 1 258.365 3.875 20 0 CHADMN C[C@H]1CC(c2nc(-c3ccn4cncc4c3)no2)C[C@H](C)C1 ZINC000447948271 1124544123 /nfs/dbraw/zinc/54/41/23/1124544123.db2.gz MOYOXNPMXZNTBU-VXGBXAGGSA-N 0 1 296.374 3.924 20 0 CHADMN Clc1ccc(/C=C/CN2CCOC3(CCC3)C2)cc1 ZINC000527049727 1124546692 /nfs/dbraw/zinc/54/66/92/1124546692.db2.gz VBFDPVVTSQQJIS-HNQUOIGGSA-N 0 1 277.795 3.608 20 0 CHADMN Cc1oncc1CN1CCC(c2ccccc2F)CC1 ZINC000527074804 1124548757 /nfs/dbraw/zinc/54/87/57/1124548757.db2.gz JRWZKBJBMXKAQK-UHFFFAOYSA-N 0 1 274.339 3.502 20 0 CHADMN CS[C@H]1CC[C@H](Nc2cc[nH+]c3c([O-])cccc23)C1 ZINC000795102709 1124549656 /nfs/dbraw/zinc/54/96/56/1124549656.db2.gz RLPRDKIQTNUFJC-QWRGUYRKSA-N 0 1 274.389 3.636 20 0 CHADMN C(=C\c1ccccc1)\c1nc(-c2ccn3cncc3c2)no1 ZINC000447960712 1124549880 /nfs/dbraw/zinc/54/98/80/1124549880.db2.gz BNXUWUJMJKCCHJ-SREVYHEPSA-N 0 1 288.310 3.555 20 0 CHADMN COc1ccc(CN2CCC(OC3CCCCC3)CC2)o1 ZINC001119964504 1131267922 /nfs/dbraw/zinc/26/79/22/1131267922.db2.gz IKEVVSHWPJCPPE-UHFFFAOYSA-N 0 1 293.407 3.602 20 0 CHADMN CC(C)C[N@@H+](Cc1cncn1Cc1ccccc1)C1CC1 ZINC000527324920 1124567151 /nfs/dbraw/zinc/56/71/51/1124567151.db2.gz MCYWOOZJRCFCQQ-UHFFFAOYSA-N 0 1 283.419 3.552 20 0 CHADMN Cc1cc(CNc2ccc3c(c2)nc(C)n3C)c(C)o1 ZINC000123176555 1124571628 /nfs/dbraw/zinc/57/16/28/1124571628.db2.gz DGPGVUPYLVLSQL-UHFFFAOYSA-N 0 1 269.348 3.704 20 0 CHADMN Cc1cc(-c2nccc3[nH]ccc32)cnc1OCC(C)C ZINC001238921812 1131270248 /nfs/dbraw/zinc/27/02/48/1131270248.db2.gz MRBYWKBWXKKSKL-UHFFFAOYSA-N 0 1 281.359 3.968 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1cnn(CC2CCC2)c1 ZINC001120053434 1131271217 /nfs/dbraw/zinc/27/12/17/1131271217.db2.gz KWOJDMBATXKEPB-SFHVURJKSA-N 0 1 298.434 3.661 20 0 CHADMN Cc1cnccc1CN[C@@H](C)c1ccc(F)cc1F ZINC000228659785 1124606620 /nfs/dbraw/zinc/60/66/20/1124606620.db2.gz XNUZALOOGSOCKC-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN CC[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000448827166 1124618544 /nfs/dbraw/zinc/61/85/44/1124618544.db2.gz BDTJZAOMNIMWJU-IOASZLSFSA-N 0 1 297.402 3.581 20 0 CHADMN CC1=C[C@H](C)C[C@H](C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)C1 ZINC000871621527 1124620550 /nfs/dbraw/zinc/62/05/50/1124620550.db2.gz FZFAMCKMXZAMPR-IMJJTQAJSA-N 0 1 279.424 3.556 20 0 CHADMN CCCCOC1CCN(Cc2cc(F)cc(OC)c2)CC1 ZINC000449031759 1124635929 /nfs/dbraw/zinc/63/59/29/1124635929.db2.gz WCVQYJUXDXZMLU-UHFFFAOYSA-N 0 1 295.398 3.615 20 0 CHADMN Clc1ccc(CNCc2ccnn2C2CCCC2)cc1 ZINC000449069304 1124644096 /nfs/dbraw/zinc/64/40/96/1124644096.db2.gz WWXBHVHCARKFOE-UHFFFAOYSA-N 0 1 289.810 3.941 20 0 CHADMN Cc1ccc(CNCc2cccc(C)c2F)cc1F ZINC000449067896 1124644350 /nfs/dbraw/zinc/64/43/50/1124644350.db2.gz PASSQSGKIBROHX-UHFFFAOYSA-N 0 1 261.315 3.871 20 0 CHADMN Cn1ncc(C2CCC2)c1CNc1ccc2c(n1)CCCC2 ZINC000871864467 1124649073 /nfs/dbraw/zinc/64/90/73/1124649073.db2.gz FTGPCFRJBBEKES-UHFFFAOYSA-N 0 1 296.418 3.574 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1cccnc1C(F)(F)F ZINC000528387342 1124650487 /nfs/dbraw/zinc/65/04/87/1124650487.db2.gz GEMZABTWVDRVMQ-WDEREUQCSA-N 0 1 272.314 3.721 20 0 CHADMN C[C@H](O)C[C@@H]1CCCCN1Cc1cccc(F)c1Cl ZINC000123879045 1124652036 /nfs/dbraw/zinc/65/20/36/1124652036.db2.gz VKPAXDIKRMEFNB-AAEUAGOBSA-N 0 1 285.790 3.605 20 0 CHADMN C[C@H](NC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1c(F)cccc1F ZINC000871932424 1124653377 /nfs/dbraw/zinc/65/33/77/1124653377.db2.gz VISBGGCEEFZVJW-JUFZMCDQSA-N 0 1 281.346 3.573 20 0 CHADMN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1ncccc1Cl ZINC000528403212 1124653771 /nfs/dbraw/zinc/65/37/71/1124653771.db2.gz CFKOZLHVTALNRL-LBPRGKRZSA-N 0 1 290.794 3.504 20 0 CHADMN C/C(Cl)=C\CN1CCC[C@@H]1c1cccc(C)n1 ZINC000528403123 1124654757 /nfs/dbraw/zinc/65/47/57/1124654757.db2.gz BGTSFBUWHOXQFB-BMGYJQCNSA-N 0 1 250.773 3.670 20 0 CHADMN C/C(Cl)=C\CN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000528408814 1124655611 /nfs/dbraw/zinc/65/56/11/1124655611.db2.gz YYYKJFUHMPACBD-UUILKARUSA-N 0 1 287.794 3.795 20 0 CHADMN COC[C@H](NCc1csc(C)c1)c1ccc(F)cc1 ZINC000449176641 1124661458 /nfs/dbraw/zinc/66/14/58/1124661458.db2.gz QUQJEPUTEFHKQV-HNNXBMFYSA-N 0 1 279.380 3.673 20 0 CHADMN CC[C@@H](Nc1ccc(CN(C)C)c(F)c1)[C@H]1CCCOC1 ZINC000872060365 1124670507 /nfs/dbraw/zinc/67/05/07/1124670507.db2.gz PYOGUWYMUOTRMO-WMLDXEAASA-N 0 1 294.414 3.504 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NC/C=C(/C)Cl ZINC000528520907 1124681218 /nfs/dbraw/zinc/68/12/18/1124681218.db2.gz OWTHURGLRJBVRS-SEVUFMINSA-N 0 1 253.773 3.797 20 0 CHADMN Cc1cc(CN[C@@H]2CCOc3c(C)cccc32)cs1 ZINC000449278034 1124681534 /nfs/dbraw/zinc/68/15/34/1124681534.db2.gz HKRYBPRLBWBIBA-OAHLLOKOSA-N 0 1 273.401 3.978 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@@H]2C[C@@H]3CCC[C@H]3O2)cs1 ZINC000872110163 1124686491 /nfs/dbraw/zinc/68/64/91/1124686491.db2.gz WGFMWDZZIAIOLH-PWNZVWSESA-N 0 1 294.464 3.875 20 0 CHADMN C[C@H](NCc1ncc(Cl)s1)C(C)(C)C(F)F ZINC000872113767 1124686968 /nfs/dbraw/zinc/68/69/68/1124686968.db2.gz SNFLUPOVSOUKNY-LURJTMIESA-N 0 1 268.760 3.566 20 0 CHADMN C[C@H](CCC(F)(F)F)NCc1ncc(Cl)s1 ZINC000872116764 1124688086 /nfs/dbraw/zinc/68/80/86/1124688086.db2.gz URYXSXNXLBPEES-ZCFIWIBFSA-N 0 1 272.723 3.617 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1cccc2ncccc12 ZINC000872124469 1124689693 /nfs/dbraw/zinc/68/96/93/1124689693.db2.gz NRRSVUVZDQADFS-GFCCVEGCSA-N 0 1 295.386 3.944 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)N[C@H](C)c1nccnc1C ZINC000872130451 1124690467 /nfs/dbraw/zinc/69/04/67/1124690467.db2.gz IBHRAEWSIUSTNR-WCQYABFASA-N 0 1 273.355 3.644 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)cs1 ZINC000449332339 1124690778 /nfs/dbraw/zinc/69/07/78/1124690778.db2.gz REFYYMKFJMAKIW-CQSZACIVSA-N 0 1 275.421 3.734 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](C)c2nccnc2C)s1 ZINC000872134046 1124692985 /nfs/dbraw/zinc/69/29/85/1124692985.db2.gz QQDKKUOYVGRVFZ-PWSUYJOCSA-N 0 1 275.421 3.821 20 0 CHADMN CC[C@H]1CCN1Cc1cnc(-c2ccccc2F)s1 ZINC000449340709 1124693210 /nfs/dbraw/zinc/69/32/10/1124693210.db2.gz PVSHPFPBEQQZPL-NSHDSACASA-N 0 1 276.380 3.934 20 0 CHADMN CCc1nnc(CN[C@H]2CC[C@@H](CCC(C)C)C2)s1 ZINC000449338885 1124693486 /nfs/dbraw/zinc/69/34/86/1124693486.db2.gz SVLMBGPNQCAKSY-OLZOCXBDSA-N 0 1 281.469 3.795 20 0 CHADMN c1cc2cccc(CN3C[C@@]4(CCCO4)[C@@H]3C3CC3)c2o1 ZINC000449344952 1124695760 /nfs/dbraw/zinc/69/57/60/1124695760.db2.gz SSMIEDPMLHNRNO-ROUUACIJSA-N 0 1 283.371 3.576 20 0 CHADMN Cc1ccc2c(ccc(C)c2C[N@H+](CC(=O)[O-])CC(C)C)c1 ZINC000872159272 1124696437 /nfs/dbraw/zinc/69/64/37/1124696437.db2.gz CBRJHXARXNTTOX-UHFFFAOYSA-N 0 1 299.414 3.999 20 0 CHADMN C[C@H](C[N@@H+](C)[C@H](Cc1ccccc1)C(=O)[O-])CC(C)(C)C ZINC000872159379 1124696895 /nfs/dbraw/zinc/69/68/95/1124696895.db2.gz FQGYJWYEFIQUBJ-GOEBONIOSA-N 0 1 291.435 3.686 20 0 CHADMN C[C@H](C[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-])CC(C)(C)C ZINC000872161306 1124696922 /nfs/dbraw/zinc/69/69/22/1124696922.db2.gz WSSQEKGCUUQEDD-XJKSGUPXSA-N 0 1 289.419 3.743 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@H](Cc1ccccc1)C(=O)[O-])CC(C)(C)C ZINC000872159378 1124696992 /nfs/dbraw/zinc/69/69/92/1124696992.db2.gz FQGYJWYEFIQUBJ-GDBMZVCRSA-N 0 1 291.435 3.686 20 0 CHADMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)[O-])cs2)C1 ZINC000872158561 1124697305 /nfs/dbraw/zinc/69/73/05/1124697305.db2.gz FZNKIYCBTWBNEK-NWDGAFQWSA-N 0 1 299.461 3.552 20 0 CHADMN CC(C)n1nccc1CN[C@H]1CCCc2c(F)cccc21 ZINC000449348892 1124697101 /nfs/dbraw/zinc/69/71/01/1124697101.db2.gz HUGTXLXQSUEIQO-KRWDZBQOSA-N 0 1 287.382 3.770 20 0 CHADMN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)[O-])cs2)C1 ZINC000872158560 1124697411 /nfs/dbraw/zinc/69/74/11/1124697411.db2.gz FZNKIYCBTWBNEK-NEPJUHHUSA-N 0 1 299.461 3.552 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@@H]2[C@@H](c3ccccc3)C2(C)C)n1 ZINC000872170127 1124698053 /nfs/dbraw/zinc/69/80/53/1124698053.db2.gz DAZFTJMEFZTDKQ-HZSPNIEDSA-N 0 1 285.391 3.633 20 0 CHADMN Clc1cnccc1CN1CCC[C@@H](OC2CCC2)CC1 ZINC000872260087 1124699468 /nfs/dbraw/zinc/69/94/68/1124699468.db2.gz OJHRLIZILYDRLL-OAHLLOKOSA-N 0 1 294.826 3.659 20 0 CHADMN Cc1cc(CN2CC(c3ccccc3F)C2)cs1 ZINC000449336267 1124699584 /nfs/dbraw/zinc/69/95/84/1124699584.db2.gz MJZBBKFOKCEQCN-UHFFFAOYSA-N 0 1 261.365 3.795 20 0 CHADMN Cc1nc(CN2CCC[C@@H](OC3CCC3)CC2)sc1C ZINC000872281539 1124700429 /nfs/dbraw/zinc/70/04/29/1124700429.db2.gz UCGBHRFXWZQRDO-OAHLLOKOSA-N 0 1 294.464 3.684 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](OC3CCC3)CC2)cn1 ZINC000872262240 1124700688 /nfs/dbraw/zinc/70/06/88/1124700688.db2.gz VQCJAMNUBNYESY-OAHLLOKOSA-N 0 1 294.826 3.659 20 0 CHADMN Fc1cccc2c(CN3CCCCC34CC4)c[nH]c21 ZINC001137058801 1124704476 /nfs/dbraw/zinc/70/44/76/1124704476.db2.gz DUKSPICSPGAEPQ-UHFFFAOYSA-N 0 1 258.340 3.826 20 0 CHADMN CC[C@H](N[C@@H](C)CCc1cccc(F)c1)C(F)F ZINC000449363304 1124711587 /nfs/dbraw/zinc/71/15/87/1124711587.db2.gz PHIUVBYHTAOLKQ-GWCFXTLKSA-N 0 1 259.315 3.780 20 0 CHADMN COc1ccccc1-c1ccc(CN2CC[C@@H](F)C2)cc1 ZINC000449386739 1124719245 /nfs/dbraw/zinc/71/92/45/1124719245.db2.gz JKLDHEZFWONOOH-MRXNPFEDSA-N 0 1 285.362 3.906 20 0 CHADMN COc1ccccc1-c1ccc(CN2CC[C@H](F)C2)cc1 ZINC000449386738 1124719376 /nfs/dbraw/zinc/71/93/76/1124719376.db2.gz JKLDHEZFWONOOH-INIZCTEOSA-N 0 1 285.362 3.906 20 0 CHADMN CCCC[C@@H](CC)CN1CC2CC1(c1nc(C)no1)C2 ZINC000528625641 1124723295 /nfs/dbraw/zinc/72/32/95/1124723295.db2.gz XSCJRVLTCNJJJS-VQCLRJIVSA-N 0 1 277.412 3.515 20 0 CHADMN CCOC1CC2(C[C@@H]2Nc2ccnc3cc(F)ccc32)C1 ZINC000872776738 1124729495 /nfs/dbraw/zinc/72/94/95/1124729495.db2.gz NRYLOIFRNNJBSK-PDOTXMHQSA-N 0 1 286.350 3.743 20 0 CHADMN COc1ccc([C@H](C)[C@@H](C)N[C@H](C)C(C)(F)F)cc1 ZINC000449412749 1124730713 /nfs/dbraw/zinc/73/07/13/1124730713.db2.gz GLCYZUZDDJWCKJ-IJLUTSLNSA-N 0 1 271.351 3.821 20 0 CHADMN CS[C@@H]1CCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000449444700 1124739671 /nfs/dbraw/zinc/73/96/71/1124739671.db2.gz CPDPYKVXCJMBCT-MRVPVSSYSA-N 0 1 281.368 3.704 20 0 CHADMN CS[C@H]1CCN(Cc2cnc(-c3ccc(C)o3)s2)C1 ZINC000449444798 1124740102 /nfs/dbraw/zinc/74/01/02/1124740102.db2.gz DKPMYFLXDPOXDG-NSHDSACASA-N 0 1 294.445 3.649 20 0 CHADMN c1cc(N2CCCC2)oc1CN1CCC[C@@H]1c1ccccn1 ZINC001137068155 1124741153 /nfs/dbraw/zinc/74/11/53/1124741153.db2.gz YARWBGLQLNYLEI-QGZVFWFLSA-N 0 1 297.402 3.612 20 0 CHADMN CC/C=C/CNCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000449454832 1124745847 /nfs/dbraw/zinc/74/58/47/1124745847.db2.gz KHNLZSRCENGECM-SNAWJCMRSA-N 0 1 297.324 3.648 20 0 CHADMN CC(C)n1cc(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)cn1 ZINC000449457337 1124748415 /nfs/dbraw/zinc/74/84/15/1124748415.db2.gz FWSMGMWDTZCYOO-AAEUAGOBSA-N 0 1 289.345 3.627 20 0 CHADMN CCCc1ccc(CN[C@H](C)c2nccnc2C)cc1 ZINC000873188531 1124749554 /nfs/dbraw/zinc/74/95/54/1124749554.db2.gz JMXCSZMGXQYJRB-CQSZACIVSA-N 0 1 269.392 3.588 20 0 CHADMN CC[C@](C)(CNCc1csc(-c2cccs2)n1)OC ZINC000449475524 1124753464 /nfs/dbraw/zinc/75/34/64/1124753464.db2.gz LAXPUCROWKAFAZ-CQSZACIVSA-N 0 1 296.461 3.776 20 0 CHADMN CC(=O)Oc1ccc(CN([C@@H](C)c2ccco2)C2CC2)cc1 ZINC000124440672 1124754492 /nfs/dbraw/zinc/75/44/92/1124754492.db2.gz FWJOXXIZXUMYOI-ZDUSSCGKSA-N 0 1 299.370 3.931 20 0 CHADMN CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C)C[C@H]1C ZINC000449497917 1124769684 /nfs/dbraw/zinc/76/96/84/1124769684.db2.gz KSFKJMFBYPHJOZ-CZUORRHYSA-N 0 1 281.827 3.895 20 0 CHADMN CC(C)C[C@H](C)OC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000820784311 1131303197 /nfs/dbraw/zinc/30/31/97/1131303197.db2.gz IICHFUSBLVQNTD-GXTWGEPZSA-N 0 1 298.452 3.512 20 0 CHADMN Cc1ccc(NC(=O)Nc2ccc3nc[nH]c3c2)cc1F ZINC001239199126 1131306186 /nfs/dbraw/zinc/30/61/86/1131306186.db2.gz SIBPGRROKQQZHN-UHFFFAOYSA-N 0 1 284.294 3.654 20 0 CHADMN CCn1ccnc1[C@H](C)NC/C=C/c1ccc(F)cc1F ZINC000449562113 1124803216 /nfs/dbraw/zinc/80/32/16/1124803216.db2.gz HBOWZHRBCNCDEK-ITKZLYELSA-N 0 1 291.345 3.545 20 0 CHADMN Cc1cc(-c2ccccc2)ccc1NC(=O)[C@@H](C)N(C)C ZINC000873983564 1124812069 /nfs/dbraw/zinc/81/20/69/1124812069.db2.gz IFQSJQCTVNWNOY-CQSZACIVSA-N 0 1 282.387 3.551 20 0 CHADMN CCCC1(CCC)CCCN1C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000874627789 1124845125 /nfs/dbraw/zinc/84/51/25/1124845125.db2.gz KHBBHHITZRHQIX-AWEZNQCLSA-N 0 1 291.439 3.550 20 0 CHADMN Clc1ccc(CN2CCC[C@]3(CCSC3)C2)o1 ZINC000449732308 1124853285 /nfs/dbraw/zinc/85/32/85/1124853285.db2.gz LBVWUCDITJXSAM-ZDUSSCGKSA-N 0 1 271.813 3.652 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N(C)C)cc1-c1ccsc1 ZINC000874908184 1124867427 /nfs/dbraw/zinc/86/74/27/1124867427.db2.gz XHUVCCGAYGIVKR-LBPRGKRZSA-N 0 1 288.416 3.612 20 0 CHADMN Cc1cccc([C@H](C)NCc2cn(C)nc2C(F)F)c1 ZINC000449782383 1124869971 /nfs/dbraw/zinc/86/99/71/1124869971.db2.gz ZILOJGDGEIDIQP-NSHDSACASA-N 0 1 279.334 3.517 20 0 CHADMN COC[C@H]1CCCN(Cc2csc(C(C)C)n2)CC1 ZINC000449779826 1124870423 /nfs/dbraw/zinc/87/04/23/1124870423.db2.gz UVKNXPYZJOQGAM-ZDUSSCGKSA-N 0 1 282.453 3.515 20 0 CHADMN CC(C)[C@@H]1[N@@H+](Cc2cnn(C(C)C)c2)CC12CCCC2 ZINC000449794142 1124874835 /nfs/dbraw/zinc/87/48/35/1124874835.db2.gz ZXYVSCATWIGSHV-INIZCTEOSA-N 0 1 275.440 3.865 20 0 CHADMN C[C@@H]1CCCCN(Cc2cc(F)cc(F)c2F)C1 ZINC001137868961 1124887859 /nfs/dbraw/zinc/88/78/59/1124887859.db2.gz XLSYRECYABWUGX-SNVBAGLBSA-N 0 1 257.299 3.726 20 0 CHADMN Oc1ccc(CNCc2ccc(Cl)s2)cc1F ZINC000120459328 1124939090 /nfs/dbraw/zinc/93/90/90/1124939090.db2.gz DBDUGPURHKDXBR-UHFFFAOYSA-N 0 1 271.744 3.536 20 0 CHADMN O=C(c1cccc(-c2cc3[nH]ccc3cn2)c1)C(F)(F)F ZINC001239366045 1131321050 /nfs/dbraw/zinc/32/10/50/1131321050.db2.gz MJKMAGOTJXVSDT-UHFFFAOYSA-N 0 1 290.244 3.975 20 0 CHADMN Cc1ccccc1[C@H](C)N(C)Cc1ccc(Cl)nn1 ZINC000876574256 1124960416 /nfs/dbraw/zinc/96/04/16/1124960416.db2.gz QIMGLAIFCMKTCX-LBPRGKRZSA-N 0 1 275.783 3.631 20 0 CHADMN CN(C)c1ccc(F)cc1CN1CCC[C@H]1c1ccccn1 ZINC000876585851 1124964245 /nfs/dbraw/zinc/96/42/45/1124964245.db2.gz XTKXIDJJUPBIIZ-SFHVURJKSA-N 0 1 299.393 3.624 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CN1Cc1ccc(Cl)nn1 ZINC000876745989 1124975408 /nfs/dbraw/zinc/97/54/08/1124975408.db2.gz NWSUSLFDQFEVLS-JSGCOSHPSA-N 0 1 287.794 3.508 20 0 CHADMN CCN(c1ccc(NCc2snnc2C)cc1)C(C)C ZINC000876820564 1124981323 /nfs/dbraw/zinc/98/13/23/1124981323.db2.gz PLWVKVIZTGYSBT-UHFFFAOYSA-N 0 1 290.436 3.693 20 0 CHADMN Cc1nc2cc(N[C@@H](C)C3CC(F)(F)C3)ccc2n1C ZINC000529541896 1124987571 /nfs/dbraw/zinc/98/75/71/1124987571.db2.gz MMUNHQJNFFAINO-VIFPVBQESA-N 0 1 279.334 3.727 20 0 CHADMN c1c(CNCc2cccc3ccccc32)onc1C1CC1 ZINC000876987781 1124995207 /nfs/dbraw/zinc/99/52/07/1124995207.db2.gz IXJYOOGCUHWQKL-UHFFFAOYSA-N 0 1 278.355 3.995 20 0 CHADMN CC(C)(C)c1csc(CNC[C@H]2CC2(Cl)Cl)n1 ZINC000877018266 1124998149 /nfs/dbraw/zinc/99/81/49/1124998149.db2.gz LHUVAWULUQTZQJ-MRVPVSSYSA-N 0 1 293.263 3.724 20 0 CHADMN Clc1ccc(CN[C@@H](CC2CC2)c2ccccc2)nn1 ZINC000877043789 1125002235 /nfs/dbraw/zinc/00/22/35/1125002235.db2.gz NQZKWCQMDUIHSP-HNNXBMFYSA-N 0 1 287.794 3.761 20 0 CHADMN COC[C@]1(C)CCN(Cc2ccsc2C(F)(F)F)C1 ZINC000529590120 1125008378 /nfs/dbraw/zinc/00/83/78/1125008378.db2.gz ZFSPQZKSZVZFDA-GFCCVEGCSA-N 0 1 293.354 3.625 20 0 CHADMN Clc1ccc2c(c1)[C@H](NC[C@H]1CC1(Cl)Cl)CO2 ZINC000877088173 1125009130 /nfs/dbraw/zinc/00/91/30/1125009130.db2.gz CBSDHVLDULKATK-GMSGAONNSA-N 0 1 292.593 3.557 20 0 CHADMN CO[C@H](CN[C@@H](c1cccc(C)c1)c1ccccn1)C(C)C ZINC000877124629 1125011986 /nfs/dbraw/zinc/01/19/86/1125011986.db2.gz YNLWGJZKRLEPBJ-MOPGFXCFSA-N 0 1 298.430 3.740 20 0 CHADMN Cc1ccccc1[C@@H](N)C(=O)Nc1ccc(C2CC2)cc1F ZINC000877262024 1125020346 /nfs/dbraw/zinc/02/03/46/1125020346.db2.gz VDRPCBJOXADBMJ-QGZVFWFLSA-N 0 1 298.361 3.650 20 0 CHADMN Cc1ccc([C@@H](N)C(=O)Nc2ccc(C3CC3)cc2F)cc1 ZINC000877260842 1125020982 /nfs/dbraw/zinc/02/09/82/1125020982.db2.gz FIIYNLKTCKGLGS-QGZVFWFLSA-N 0 1 298.361 3.650 20 0 CHADMN CN(Cc1cccc(OC(C)(C)C)c1)Cc1ccccn1 ZINC000877319240 1125021513 /nfs/dbraw/zinc/02/15/13/1125021513.db2.gz SZBGSSQGOQOMEO-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN CCOc1cc(F)cc(CN(C)[C@@H](C)c2ccncc2)c1 ZINC000877317315 1125022019 /nfs/dbraw/zinc/02/20/19/1125022019.db2.gz IXSOLWNNGRBURA-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN CCC[C@H](NC(=O)CN1CCCC[C@@H]1C)c1ccccc1 ZINC000302742816 1125025844 /nfs/dbraw/zinc/02/58/44/1125025844.db2.gz MTMOVZVRPDCODU-RDJZCZTQSA-N 0 1 288.435 3.518 20 0 CHADMN CC(C)N(Cc1nc(Cl)cs1)CC1CCC1 ZINC000877480465 1125033126 /nfs/dbraw/zinc/03/31/26/1125033126.db2.gz WHVFRFDOUFSMQA-UHFFFAOYSA-N 0 1 258.818 3.807 20 0 CHADMN CSC(C)(C)CCN[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000877469887 1125030245 /nfs/dbraw/zinc/03/02/45/1125030245.db2.gz AXYNCABYFVAHBN-JTQLQIEISA-N 0 1 285.457 3.549 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cc3c(cc[nH]c3=O)o2)c1 ZINC000877477723 1125033551 /nfs/dbraw/zinc/03/35/51/1125033551.db2.gz GDIGKNIPCPIISC-UHFFFAOYSA-N 0 1 296.370 3.782 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](c3ccccc3)C2)nn1 ZINC000877548015 1125042644 /nfs/dbraw/zinc/04/26/44/1125042644.db2.gz CORALDSYPXMJRM-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN Clc1ccc2sc(CN3CC4(CC4)C3)cc2n1 ZINC000877555929 1125044117 /nfs/dbraw/zinc/04/41/17/1125044117.db2.gz GYOQVPINMASZFB-UHFFFAOYSA-N 0 1 264.781 3.546 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2NCc1ccc(Cl)nn1 ZINC000877641031 1125057309 /nfs/dbraw/zinc/05/73/09/1125057309.db2.gz UUOZCZHZFRCBGK-HNNXBMFYSA-N 0 1 287.794 3.606 20 0 CHADMN Cc1ccc(C(C)(C)CNCc2nc(Cl)cs2)nc1 ZINC000877653897 1125058039 /nfs/dbraw/zinc/05/80/39/1125058039.db2.gz RFEVRAHCGOMNBF-UHFFFAOYSA-N 0 1 295.839 3.567 20 0 CHADMN CCC[C@@H](O)CN(Cc1cccc(C)c1)Cc1ccccn1 ZINC000450561928 1125058231 /nfs/dbraw/zinc/05/82/31/1125058231.db2.gz GKKPYZFYGKMVNH-LJQANCHMSA-N 0 1 298.430 3.553 20 0 CHADMN Cc1ccnc(NC[C@@H]2CSc3ccccc32)c1 ZINC000450566856 1125059168 /nfs/dbraw/zinc/05/91/68/1125059168.db2.gz SVOZMGALZZDQHF-GFCCVEGCSA-N 0 1 256.374 3.691 20 0 CHADMN Cc1scc(CNCc2ccnc(Cl)c2F)c1C ZINC000877674620 1125060929 /nfs/dbraw/zinc/06/09/29/1125060929.db2.gz TUJRZDBOIODBKX-UHFFFAOYSA-N 0 1 284.787 3.842 20 0 CHADMN CCOc1cccc(F)c1CN1CCC(SC)CC1 ZINC000877663288 1125061221 /nfs/dbraw/zinc/06/12/21/1125061221.db2.gz NXZPSEDCAMLMDY-UHFFFAOYSA-N 0 1 283.412 3.552 20 0 CHADMN Cc1cc(CN2CCC(CCF)CC2)cnc1Cl ZINC000877673987 1125063107 /nfs/dbraw/zinc/06/31/07/1125063107.db2.gz KXNYXVRVQWKTKU-UHFFFAOYSA-N 0 1 270.779 3.615 20 0 CHADMN CC[C@@H](NCC1=Cc2ccccc2OC1)c1c(C)noc1C ZINC000121226878 1125068059 /nfs/dbraw/zinc/06/80/59/1125068059.db2.gz FKGKANKQRQLUOP-MRXNPFEDSA-N 0 1 298.386 3.808 20 0 CHADMN COc1cc(CN(C)[C@H](C)c2ccncc2)ccc1Cl ZINC000450629339 1125070577 /nfs/dbraw/zinc/07/05/77/1125070577.db2.gz NXMKHXHTPHBBGY-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN Cc1nc(C)c(CN2CC([C@@H]3CCC[C@@H](C)C3)C2)o1 ZINC000877763971 1125075969 /nfs/dbraw/zinc/07/59/69/1125075969.db2.gz POCLMSQZABSMBA-BXUZGUMPSA-N 0 1 262.397 3.550 20 0 CHADMN C[C@H]1CCC[C@H](C2CN(Cc3cn(C)nc3C(F)F)C2)C1 ZINC000877763825 1125075996 /nfs/dbraw/zinc/07/59/96/1125075996.db2.gz KQXGHYRAWUYDIF-RYUDHWBXSA-N 0 1 297.393 3.616 20 0 CHADMN COc1cc(C)nc(CN(C)Cc2ccc3cc[nH]c3c2)c1 ZINC000877770491 1125077542 /nfs/dbraw/zinc/07/75/42/1125077542.db2.gz WFAWFKONCPLGAU-UHFFFAOYSA-N 0 1 295.386 3.512 20 0 CHADMN CCC(=O)CCCN1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000450656628 1125080202 /nfs/dbraw/zinc/08/02/02/1125080202.db2.gz VVYGKQDFCMAXBZ-OLZOCXBDSA-N 0 1 277.383 3.893 20 0 CHADMN CC(C)(C)c1ccc(CNCc2ccc(Cl)nn2)s1 ZINC000877805053 1125080796 /nfs/dbraw/zinc/08/07/96/1125080796.db2.gz GYFMFVFLNKBYDM-UHFFFAOYSA-N 0 1 295.839 3.779 20 0 CHADMN c1oc(C2CC2)nc1CN1CC[C@@]2(CCc3ccccc32)C1 ZINC000877810308 1125083903 /nfs/dbraw/zinc/08/39/03/1125083903.db2.gz DBPUJXZRIGLXPZ-IBGZPJMESA-N 0 1 294.398 3.642 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2ccc3ncsc3c2)n1 ZINC000450764925 1125099347 /nfs/dbraw/zinc/09/93/47/1125099347.db2.gz QSMIDBGADCOEPJ-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1nc(CN(C)[C@H](C)C(C)C)sc1Br ZINC000877928763 1125102529 /nfs/dbraw/zinc/10/25/29/1125102529.db2.gz HVDNEBWDZMUBJA-SECBINFHSA-N 0 1 291.258 3.690 20 0 CHADMN Cc1cc([C@@H]2CCCN2CC[C@H]2CCCC2(F)F)no1 ZINC000877922355 1125102984 /nfs/dbraw/zinc/10/29/84/1125102984.db2.gz RLNWRLUVCMACIG-OCCSQVGLSA-N 0 1 284.350 3.945 20 0 CHADMN CC[N@@H+](CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1)C(C)C ZINC000877983877 1125110737 /nfs/dbraw/zinc/11/07/37/1125110737.db2.gz VRHLOBCDDTZKAH-TXEJJXNPSA-N 0 1 279.346 3.655 20 0 CHADMN CC(C)c1cccc(NC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)c1 ZINC000878015078 1125112465 /nfs/dbraw/zinc/11/24/65/1125112465.db2.gz VHONSHQKYLBHCC-PXAZEXFGSA-N 0 1 297.402 3.838 20 0 CHADMN Cc1conc1CN1CCC[C@@H](c2ccccc2)CC1 ZINC000878042938 1125115338 /nfs/dbraw/zinc/11/53/38/1125115338.db2.gz LIUHCXVBPCZOFA-MRXNPFEDSA-N 0 1 270.376 3.753 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2ccc(C)c(Cl)n2)CC1 ZINC000878087950 1125118593 /nfs/dbraw/zinc/11/85/93/1125118593.db2.gz CUMXKQFGOCEFPT-OAHLLOKOSA-N 0 1 296.842 3.825 20 0 CHADMN Cc1nc(CN2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cs1 ZINC000121475790 1125122778 /nfs/dbraw/zinc/12/27/78/1125122778.db2.gz GZCAUOKDKYKRRM-FZMZJTMJSA-N 0 1 290.407 3.969 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1CC1CCC(C)(C)CC1 ZINC000530175912 1125130008 /nfs/dbraw/zinc/13/00/08/1125130008.db2.gz QUTOKTNWZLJHLV-AGGWBTHJSA-N 0 1 281.440 3.776 20 0 CHADMN CC[C@](C)(NC[C@@H]1CCC(C)(C)CO1)c1nccs1 ZINC000878254470 1125135913 /nfs/dbraw/zinc/13/59/13/1125135913.db2.gz XHVDCDBNYDZQEV-WFASDCNBSA-N 0 1 282.453 3.563 20 0 CHADMN C[C@@H]1CC[C@H](N[C@H](CO)c2c(Cl)cccc2Cl)C1 ZINC000530281692 1125138666 /nfs/dbraw/zinc/13/86/66/1125138666.db2.gz MPXDASXILQOPCP-GBIKHYSHSA-N 0 1 288.218 3.805 20 0 CHADMN CN(Cc1cccnc1)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000878298572 1125139212 /nfs/dbraw/zinc/13/92/12/1125139212.db2.gz JBZWIWBZJPTRSJ-RTBURBONSA-N 0 1 296.414 3.824 20 0 CHADMN CC[C@H](NCc1nccn1CC(F)F)c1ccc(C)cc1 ZINC000878345569 1125143019 /nfs/dbraw/zinc/14/30/19/1125143019.db2.gz PYHHZBZZMXBCIX-AWEZNQCLSA-N 0 1 293.361 3.698 20 0 CHADMN c1cc2c(s1)CCN(C[C@@H]1CCC3(CCCC3)O1)C2 ZINC000530366401 1125145337 /nfs/dbraw/zinc/14/53/37/1125145337.db2.gz BNYCSNFGOIUFHA-AWEZNQCLSA-N 0 1 277.433 3.598 20 0 CHADMN COc1ccccc1CN(C)C[C@H]1CCC2(CCCC2)O1 ZINC000530419693 1125151349 /nfs/dbraw/zinc/15/13/49/1125151349.db2.gz RZZQTLVERHVQAZ-MRXNPFEDSA-N 0 1 289.419 3.619 20 0 CHADMN FC1(F)CCC[C@H]1CCN1CCCC[C@H]1c1cc[nH]n1 ZINC000878601136 1125164641 /nfs/dbraw/zinc/16/46/41/1125164641.db2.gz HHOYSXWBPGOZES-JSGCOSHPSA-N 0 1 283.366 3.762 20 0 CHADMN CCN(Cc1scnc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000878625268 1125166875 /nfs/dbraw/zinc/16/68/75/1125166875.db2.gz PFOSGIWYCLMLLX-SNVBAGLBSA-N 0 1 288.844 3.576 20 0 CHADMN FC(F)(F)c1coc(CN2CC[C@H](c3ccncc3)C2)c1 ZINC000878629290 1125167110 /nfs/dbraw/zinc/16/71/10/1125167110.db2.gz UMUDLSCNSXRKEQ-LBPRGKRZSA-N 0 1 296.292 3.683 20 0 CHADMN Cc1ccc(NC(=O)CN(C)C[C@@H](C)c2ccccc2)cc1 ZINC000530628009 1125169027 /nfs/dbraw/zinc/16/90/27/1125169027.db2.gz VAZHJPBTRCWULQ-MRXNPFEDSA-N 0 1 296.414 3.669 20 0 CHADMN CO[C@@H]1CCCN(Cc2csc(CCC(C)C)n2)CC1 ZINC000374695899 1125175129 /nfs/dbraw/zinc/17/51/29/1125175129.db2.gz VSCZGMIORYGBPK-OAHLLOKOSA-N 0 1 296.480 3.733 20 0 CHADMN CCCNc1cc(C)c2c(n1)CCN(Cc1ccccc1)C2 ZINC001168132872 1125176099 /nfs/dbraw/zinc/17/60/99/1125176099.db2.gz OCQJSFMTFHWFAQ-UHFFFAOYSA-N 0 1 295.430 3.770 20 0 CHADMN COc1ccc(C)cc1CN1CCS[C@H]2CCCC[C@@H]21 ZINC000530754886 1125177377 /nfs/dbraw/zinc/17/73/77/1125177377.db2.gz WSBPDUVXYYMMTK-RDJZCZTQSA-N 0 1 291.460 3.864 20 0 CHADMN O=C(c1cnc[nH]1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000530766200 1125179061 /nfs/dbraw/zinc/17/90/61/1125179061.db2.gz AYPPQMCTHMCXGX-BLIJAFNYSA-N 0 1 295.386 3.508 20 0 CHADMN COc1cccc(CNC2(c3ccc(F)cc3)CC2)c1 ZINC000530968127 1125190102 /nfs/dbraw/zinc/19/01/02/1125190102.db2.gz MOVPTPPVEIDUHX-UHFFFAOYSA-N 0 1 271.335 3.613 20 0 CHADMN CC1(C)C[N@@H+](C[C@H]2CCCC(C)(C)O2)[C@H]1c1cccnc1 ZINC000879010281 1125191072 /nfs/dbraw/zinc/19/10/72/1125191072.db2.gz UFIXUGMFJZCUGG-CVEARBPZSA-N 0 1 288.435 3.812 20 0 CHADMN CC1(C)CN(C[C@H]2CCCC(C)(C)O2)[C@H]1c1cccnc1 ZINC000879010281 1125191074 /nfs/dbraw/zinc/19/10/74/1125191074.db2.gz UFIXUGMFJZCUGG-CVEARBPZSA-N 0 1 288.435 3.812 20 0 CHADMN COc1ncc(CN[C@@H](C)c2ccns2)c2ccccc21 ZINC000879061410 1125195114 /nfs/dbraw/zinc/19/51/14/1125195114.db2.gz BWQZCDVJVJRTFV-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN CC[C@@](C)(NCc1cnoc1C)c1ccc(F)cc1 ZINC000879128092 1125199057 /nfs/dbraw/zinc/19/90/57/1125199057.db2.gz IIWPEJUYMSAGPJ-OAHLLOKOSA-N 0 1 262.328 3.537 20 0 CHADMN C[C@@H](NCC=C(Cl)Cl)c1ccc2[nH]c(=O)oc2c1 ZINC000879377891 1125211504 /nfs/dbraw/zinc/21/15/04/1125211504.db2.gz XFWOUZPHHWUYFJ-SSDOTTSWSA-N 0 1 287.146 3.503 20 0 CHADMN c1ccc([C@H]2CCCN2c2ccnc3ccccc32)nc1 ZINC000531385463 1125215052 /nfs/dbraw/zinc/21/50/52/1125215052.db2.gz ACHPXVJNFVQKMV-GOSISDBHSA-N 0 1 275.355 3.971 20 0 CHADMN CC(C)(C)OC(=O)[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC000531402687 1125216405 /nfs/dbraw/zinc/21/64/05/1125216405.db2.gz DTPZBVJEALHDQJ-CYBMUJFWSA-N 0 1 295.810 3.504 20 0 CHADMN CO[C@H]1CCN(Cc2sc3ccccc3c2Cl)C1 ZINC000531449884 1125218138 /nfs/dbraw/zinc/21/81/38/1125218138.db2.gz FDBOTTPPKAIIPM-JTQLQIEISA-N 0 1 281.808 3.775 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC(C(C)(C)O)CC1 ZINC000879625605 1125221074 /nfs/dbraw/zinc/22/10/74/1125221074.db2.gz IOTHRCABLJUDRQ-NSHDSACASA-N 0 1 283.362 3.509 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1[C@H](C)CC[C@@H]1C ZINC000123082536 1125222002 /nfs/dbraw/zinc/22/20/02/1125222002.db2.gz NRLOMNBCIWRAHN-TXEJJXNPSA-N 0 1 275.371 3.568 20 0 CHADMN COc1ccc(CN2CCS[C@@H]3CCCC[C@H]32)cc1F ZINC000531470237 1125222503 /nfs/dbraw/zinc/22/25/03/1125222503.db2.gz MQGATKHIGOCZMJ-GDBMZVCRSA-N 0 1 295.423 3.694 20 0 CHADMN FC(F)(F)[C@@H]1CC=CC[C@H]1NC/C(Cl)=C/Cl ZINC000879670988 1125224673 /nfs/dbraw/zinc/22/46/73/1125224673.db2.gz HGLBJLGXIBYJOY-XOPPAYCJSA-N 0 1 274.113 3.792 20 0 CHADMN C[C@H](NCc1cccc(C(C)(C)C)c1)c1ccnn1C ZINC000879687587 1125226064 /nfs/dbraw/zinc/22/60/64/1125226064.db2.gz UURQCJLHRYRWGB-ZDUSSCGKSA-N 0 1 271.408 3.568 20 0 CHADMN COCc1cccc(C[N@H+]2CCC[C@H]2c2cncc(C)c2)c1 ZINC000879750136 1125230077 /nfs/dbraw/zinc/23/00/77/1125230077.db2.gz QDDBVQQSSJDHGY-IBGZPJMESA-N 0 1 296.414 3.874 20 0 CHADMN Cc1nsc(C)c1CN1CCC[C@@H]1c1cncc(C)c1 ZINC000879751630 1125231516 /nfs/dbraw/zinc/23/15/16/1125231516.db2.gz KOYWKQNIBDTHBJ-MRXNPFEDSA-N 0 1 287.432 3.800 20 0 CHADMN OCCC1C[C@H]2CC[C@@H](C1)N2Cc1cccc(Cl)c1F ZINC000879779707 1125232729 /nfs/dbraw/zinc/23/27/29/1125232729.db2.gz ZZZFKINKUVZESZ-QXMXGUDHSA-N 0 1 297.801 3.605 20 0 CHADMN Cc1cccc(C)c1CN1CCO[C@@H](c2cccs2)C1 ZINC000532127197 1125235320 /nfs/dbraw/zinc/23/53/20/1125235320.db2.gz XBLJIXVUDUTXRO-MRXNPFEDSA-N 0 1 287.428 3.938 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)NCc2cc(C)oc2C)c1 ZINC000163350017 1125238476 /nfs/dbraw/zinc/23/84/76/1125238476.db2.gz IEDFHPCKGYEBNU-LBPRGKRZSA-N 0 1 286.375 3.706 20 0 CHADMN CCN(Cc1ccc(C)cc1)C(=O)c1c(O)cccc1F ZINC000532191259 1125238493 /nfs/dbraw/zinc/23/84/93/1125238493.db2.gz UJSOZGQVDITJEE-UHFFFAOYSA-N 0 1 287.334 3.502 20 0 CHADMN Cc1cccc2c(C[N@H+]3CCC[C@H]4CCC[C@H]43)[nH]nc21 ZINC001137148067 1125239451 /nfs/dbraw/zinc/23/94/51/1125239451.db2.gz QMMMWTLWYBSYTO-CZUORRHYSA-N 0 1 269.392 3.636 20 0 CHADMN Cc1cccc2c(CN3CCC[C@H]4CCC[C@H]43)[nH]nc21 ZINC001137148067 1125239456 /nfs/dbraw/zinc/23/94/56/1125239456.db2.gz QMMMWTLWYBSYTO-CZUORRHYSA-N 0 1 269.392 3.636 20 0 CHADMN CCc1ccc(-c2ccc(CNC3(COC)CC3)o2)cc1 ZINC000532209331 1125240655 /nfs/dbraw/zinc/24/06/55/1125240655.db2.gz UFCLJMQNPGEGTI-UHFFFAOYSA-N 0 1 285.387 3.778 20 0 CHADMN CC(C)c1cnc(CN2CC[C@]3(CCc4ccccc43)C2)o1 ZINC000879997117 1125244005 /nfs/dbraw/zinc/24/40/05/1125244005.db2.gz FZODXCLYQRFDER-LJQANCHMSA-N 0 1 296.414 3.888 20 0 CHADMN COc1cc(C)ccc1NC(=O)c1ccc(Cl)c(O)c1 ZINC001136488214 1131341542 /nfs/dbraw/zinc/34/15/42/1131341542.db2.gz IORBTSKRJYPHNY-UHFFFAOYSA-N 0 1 291.734 3.615 20 0 CHADMN c1cc(CN2CCC[C@@H]2CCC2CCCCC2)no1 ZINC000532268243 1125246026 /nfs/dbraw/zinc/24/60/26/1125246026.db2.gz VNRWDWUQYTVGMQ-MRXNPFEDSA-N 0 1 262.397 4.000 20 0 CHADMN CCOC(=O)c1cc2[nH]c(-c3cccc(C)c3)ccc-2n1 ZINC001239487490 1131342035 /nfs/dbraw/zinc/34/20/35/1131342035.db2.gz ZCLXBJUSTAJEIU-UHFFFAOYSA-N 0 1 280.327 3.715 20 0 CHADMN CCC1(CC)CCCN1Cc1nnc(C2CC2)n1C1CC1 ZINC000880095155 1125250605 /nfs/dbraw/zinc/25/06/05/1125250605.db2.gz WWGFVGAQGXSYJY-UHFFFAOYSA-N 0 1 288.439 3.645 20 0 CHADMN Cc1cncc(CN[C@H](C)c2ccc(C(F)(F)F)nc2)c1 ZINC000880098932 1125250655 /nfs/dbraw/zinc/25/06/55/1125250655.db2.gz ZEIFZOUFVIDLFE-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN C1=C(c2ccc3nc(-c4ccccc4)[nH]c3c2)COC1 ZINC001239488540 1131342670 /nfs/dbraw/zinc/34/26/70/1131342670.db2.gz ICWAOUHRPLKWBX-UHFFFAOYSA-N 0 1 262.312 3.644 20 0 CHADMN CC(C)(C)[C@H]1CCCN1Cc1ncccc1Br ZINC001307506232 1125259443 /nfs/dbraw/zinc/25/94/43/1125259443.db2.gz LVIOHVSCUTVXAM-CYBMUJFWSA-N 0 1 297.240 3.855 20 0 CHADMN CCCCCc1cc(C(=O)N(C)[C@@H](C)C(C)(C)C)n[nH]1 ZINC000666034916 1125260400 /nfs/dbraw/zinc/26/04/00/1125260400.db2.gz SROMBCYYOCACQM-LBPRGKRZSA-N 0 1 279.428 3.649 20 0 CHADMN Cc1ncc(CN2CCc3ccsc3[C@H]2C)s1 ZINC000880376089 1125269757 /nfs/dbraw/zinc/26/97/57/1125269757.db2.gz CUNSCHAHWJZPLP-SECBINFHSA-N 0 1 264.419 3.632 20 0 CHADMN Cc1ccnc(CN2CCc3ccsc3[C@H]2C)c1 ZINC000880377352 1125270259 /nfs/dbraw/zinc/27/02/59/1125270259.db2.gz SXOGMUPDJYCTJB-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN Cc1cc(CN2CCCSC[C@H]2c2ccccc2)on1 ZINC000880388086 1125271081 /nfs/dbraw/zinc/27/10/81/1125271081.db2.gz WYQVGHFXLWGUKU-INIZCTEOSA-N 0 1 288.416 3.663 20 0 CHADMN Cc1cc(CN2CCCSC[C@@H]2c2ccccc2)on1 ZINC000880388087 1125271421 /nfs/dbraw/zinc/27/14/21/1125271421.db2.gz WYQVGHFXLWGUKU-MRXNPFEDSA-N 0 1 288.416 3.663 20 0 CHADMN c1c(CN[C@@H]2CCC[C@]23CCCO3)noc1-c1ccccc1 ZINC000880511545 1125278094 /nfs/dbraw/zinc/27/80/94/1125278094.db2.gz MRSZSDSCTZMQRS-MSOLQXFVSA-N 0 1 298.386 3.533 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@H](C)c2ccc(Cl)nc2)cn1 ZINC000760158285 1125278686 /nfs/dbraw/zinc/27/86/86/1125278686.db2.gz LZXTTXXXOSBSPF-NEPJUHHUSA-N 0 1 292.814 3.924 20 0 CHADMN Cc1noc(C)c1CN1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880537369 1125279087 /nfs/dbraw/zinc/27/90/87/1125279087.db2.gz VCAGSKCBVCGBRC-GUYCJALGSA-N 0 1 268.360 3.726 20 0 CHADMN c1ccc2c(c1)[C@H]1CC[C@@H]2N(Cc2ccncc2)C1 ZINC000880540416 1125279302 /nfs/dbraw/zinc/27/93/02/1125279302.db2.gz ZNXFCRITIRVUKS-YOEHRIQHSA-N 0 1 250.345 3.516 20 0 CHADMN CC(C)CCc1noc(CN2C[C@H](C)C[C@H](C)[C@H]2C)n1 ZINC000475721376 1125280330 /nfs/dbraw/zinc/28/03/30/1125280330.db2.gz AGJCBQABXFRHLR-HZSPNIEDSA-N 0 1 279.428 3.525 20 0 CHADMN C[C@H](c1ccccc1)N(C(=O)c1cccc(F)c1O)C1CC1 ZINC001272029494 1125289526 /nfs/dbraw/zinc/28/95/26/1125289526.db2.gz DHVGILRYLDYXEH-GFCCVEGCSA-N 0 1 299.345 3.897 20 0 CHADMN C[C@@H](N[C@H](CC1CC1)c1ccccc1)c1ccn(C)n1 ZINC000666120951 1125291757 /nfs/dbraw/zinc/29/17/57/1125291757.db2.gz WNYJHPMFUOVOAX-CXAGYDPISA-N 0 1 269.392 3.612 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1)NCc1nccc(Cl)n1 ZINC001168158379 1125293720 /nfs/dbraw/zinc/29/37/20/1125293720.db2.gz MWOHLYGQYMOGEN-JTQLQIEISA-N 0 1 296.201 3.504 20 0 CHADMN CC[N@@H+](Cc1cc(C)cs1)Cc1ccc2c(c1)OCO2 ZINC001137161432 1125296702 /nfs/dbraw/zinc/29/67/02/1125296702.db2.gz CVQNQAWCHRKTMF-UHFFFAOYSA-N 0 1 289.400 3.807 20 0 CHADMN COc1cccc2c1OCC[C@H]2NCc1csc(C)c1 ZINC000648452641 1125299353 /nfs/dbraw/zinc/29/93/53/1125299353.db2.gz AFBPGQCMTHXQQU-CQSZACIVSA-N 0 1 289.400 3.679 20 0 CHADMN C[C@@H](NCc1cc2cccnc2o1)c1ccc2c(c1)CCO2 ZINC000897418413 1125321653 /nfs/dbraw/zinc/32/16/53/1125321653.db2.gz OFCWQIAGJBVQTC-GFCCVEGCSA-N 0 1 294.354 3.614 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2cccnc21)c1ccc2c(c1)CCO2 ZINC000897417944 1125321822 /nfs/dbraw/zinc/32/18/22/1125321822.db2.gz HFRWXCNWMJNKPQ-CXAGYDPISA-N 0 1 294.398 3.745 20 0 CHADMN Cc1ncc(C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)s1 ZINC000191660629 1125325778 /nfs/dbraw/zinc/32/57/78/1125325778.db2.gz WVMNOANHGRPUME-LLVKDONJSA-N 0 1 292.370 3.862 20 0 CHADMN Cc1ncc(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)s1 ZINC000191660629 1125325784 /nfs/dbraw/zinc/32/57/84/1125325784.db2.gz WVMNOANHGRPUME-LLVKDONJSA-N 0 1 292.370 3.862 20 0 CHADMN c1ccc(CCC[C@@H]2CCC[N@@H+](Cc3ncccn3)C2)cc1 ZINC000192122938 1125330989 /nfs/dbraw/zinc/33/09/89/1125330989.db2.gz AXQUJNRPLSFGPN-GOSISDBHSA-N 0 1 295.430 3.712 20 0 CHADMN c1ccc(CCC[C@@H]2CCCN(Cc3ncccn3)C2)cc1 ZINC000192122938 1125330992 /nfs/dbraw/zinc/33/09/92/1125330992.db2.gz AXQUJNRPLSFGPN-GOSISDBHSA-N 0 1 295.430 3.712 20 0 CHADMN COc1cccc(F)c1[C@H](C)N[C@H](C)[C@@H]1CC1(F)F ZINC000666227931 1125334926 /nfs/dbraw/zinc/33/49/26/1125334926.db2.gz LGQUDYOTPJNBLU-UTLUCORTSA-N 0 1 273.298 3.529 20 0 CHADMN COCc1cccc(CNCc2sccc2Cl)c1 ZINC000193007208 1125336859 /nfs/dbraw/zinc/33/68/59/1125336859.db2.gz ZSDSVEBCEPRUOL-UHFFFAOYSA-N 0 1 281.808 3.838 20 0 CHADMN CC(C)(C)C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000263299590 1125348902 /nfs/dbraw/zinc/34/89/02/1125348902.db2.gz CYMPNKGXTCJQCD-AWEZNQCLSA-N 0 1 275.392 3.643 20 0 CHADMN CCOc1cccc(Cl)c1C[N@@H+](C)CC1CCOCC1 ZINC000653595418 1125350899 /nfs/dbraw/zinc/35/08/99/1125350899.db2.gz HQKUESVBERXUBH-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN CCOc1cccc(Cl)c1CN(C)CC1CCOCC1 ZINC000653595418 1125350901 /nfs/dbraw/zinc/35/09/01/1125350901.db2.gz HQKUESVBERXUBH-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN CCc1ncc(CN2CCc3ccccc3[C@H]2CC)cn1 ZINC000666312123 1125351329 /nfs/dbraw/zinc/35/13/29/1125351329.db2.gz QQCNHTXSYRTVCW-QGZVFWFLSA-N 0 1 281.403 3.548 20 0 CHADMN Cc1occc1CN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000666356073 1125357845 /nfs/dbraw/zinc/35/78/45/1125357845.db2.gz DVHSGDSLZSSCQI-BXKDBHETSA-N 0 1 261.287 3.751 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cccc2O)c1ccnc(Cl)c1 ZINC000130506662 1125362779 /nfs/dbraw/zinc/36/27/79/1125362779.db2.gz IFVBXDCIOOHXCR-IINYFYTJSA-N 0 1 288.778 3.779 20 0 CHADMN CC[C@H]1c2ccsc2CCN1Cc1c(C)noc1C ZINC000053139681 1125370870 /nfs/dbraw/zinc/37/08/70/1125370870.db2.gz AKWCABYTWHAVSC-AWEZNQCLSA-N 0 1 276.405 3.862 20 0 CHADMN CSc1ccc(CNCc2ccc(C(C)(C)O)cc2)o1 ZINC000883091521 1125371758 /nfs/dbraw/zinc/37/17/58/1125371758.db2.gz PPDZVQXRIOEOAY-UHFFFAOYSA-N 0 1 291.416 3.519 20 0 CHADMN COCc1c(C)cc(C)c(CNCc2occc2C)c1C ZINC000883127603 1125373008 /nfs/dbraw/zinc/37/30/08/1125373008.db2.gz ZWUSGRPXWBDHLF-UHFFFAOYSA-N 0 1 287.403 3.949 20 0 CHADMN CC[C@H](Nc1cnn(-c2ccncc2)c1)C1CCCC1 ZINC000648497800 1125375164 /nfs/dbraw/zinc/37/51/64/1125375164.db2.gz LZDKRJSTFCIELD-INIZCTEOSA-N 0 1 270.380 3.648 20 0 CHADMN CC(C)c1c[nH]c(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)n1 ZINC000883199467 1125376793 /nfs/dbraw/zinc/37/67/93/1125376793.db2.gz FWIHNCQVCBSZBG-GHMZBOCLSA-N 0 1 287.329 3.520 20 0 CHADMN CCSc1ccc(CNCc2conc2CC)cc1 ZINC000883235622 1125382080 /nfs/dbraw/zinc/38/20/80/1125382080.db2.gz HJNUTVYPZFTAHG-UHFFFAOYSA-N 0 1 276.405 3.639 20 0 CHADMN CC[C@@H](NCc1ccc[nH]c1=O)c1sccc1Cl ZINC000883239305 1125382230 /nfs/dbraw/zinc/38/22/30/1125382230.db2.gz CANZZBKVOSNAQJ-LLVKDONJSA-N 0 1 282.796 3.743 20 0 CHADMN CC[C@@H](CC(=O)NC[C@@H](c1cccs1)N(C)C)C(C)C ZINC000104204472 1125383548 /nfs/dbraw/zinc/38/35/48/1125383548.db2.gz KJDWXTLGVPMEOS-KBPBESRZSA-N 0 1 296.480 3.539 20 0 CHADMN Clc1ncccc1CNC1(c2ccccc2)CCC1 ZINC000170907816 1125384795 /nfs/dbraw/zinc/38/47/95/1125384795.db2.gz ULSIMMCXZMKCGW-UHFFFAOYSA-N 0 1 272.779 3.904 20 0 CHADMN CC[C@H](NCc1ccc(C)nc1Cl)c1ccncc1 ZINC000883301453 1125392366 /nfs/dbraw/zinc/39/23/66/1125392366.db2.gz APVVUWJRZZGSBM-AWEZNQCLSA-N 0 1 275.783 3.679 20 0 CHADMN C[C@H](NC1(c2ncccn2)CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000883312101 1125393663 /nfs/dbraw/zinc/39/36/63/1125393663.db2.gz UAZJFHRRYKAFPH-MELADBBJSA-N 0 1 299.443 3.699 20 0 CHADMN C[C@H](CCC1CCCC1)NC1(c2ncccn2)CCC1 ZINC000883312589 1125393844 /nfs/dbraw/zinc/39/38/44/1125393844.db2.gz IERHVFXCLGZJGU-CQSZACIVSA-N 0 1 273.424 3.804 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000045083950 1125395221 /nfs/dbraw/zinc/39/52/21/1125395221.db2.gz PBOBRLPACFHNHS-INIZCTEOSA-N 0 1 273.376 3.539 20 0 CHADMN CCCCC[C@@](C)(CC)C(=O)Nc1ccc2[nH]nnc2c1 ZINC001137189343 1125410408 /nfs/dbraw/zinc/41/04/08/1125410408.db2.gz OCPMMWSZUBLDRA-MRXNPFEDSA-N 0 1 288.395 3.893 20 0 CHADMN CC1(C)Nc2ccccc2[C@H]1NCc1ccc(Cl)cn1 ZINC000883464421 1125411701 /nfs/dbraw/zinc/41/17/01/1125411701.db2.gz MZIKNZMNMGYSML-OAHLLOKOSA-N 0 1 287.794 3.770 20 0 CHADMN CC(C)(C[NH2+]Cc1cccc([O-])c1Cl)C1CCOCC1 ZINC000897446430 1125418717 /nfs/dbraw/zinc/41/87/17/1125418717.db2.gz UMQQNDAUQWAYPB-UHFFFAOYSA-N 0 1 297.826 3.588 20 0 CHADMN Fc1cccc(F)c1C1(NC[C@@H]2CCCCO2)CCC1 ZINC000626177571 1125419789 /nfs/dbraw/zinc/41/97/89/1125419789.db2.gz QWQWWAVXQHJMBX-LBPRGKRZSA-N 0 1 281.346 3.503 20 0 CHADMN Fc1cccc(F)c1C1(NCCc2ccccn2)CCC1 ZINC000626177324 1125420062 /nfs/dbraw/zinc/42/00/62/1125420062.db2.gz KUBGYIMUJLAICS-UHFFFAOYSA-N 0 1 288.341 3.571 20 0 CHADMN CCCCN(C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000078338451 1125421258 /nfs/dbraw/zinc/42/12/58/1125421258.db2.gz LGEOGECQIUHHCA-JTQLQIEISA-N 0 1 265.382 3.591 20 0 CHADMN F[C@@H]1CN(Cc2cccc3ncccc23)CCCC1(F)F ZINC001137624441 1125429266 /nfs/dbraw/zinc/42/92/66/1125429266.db2.gz OTKGRTBSTMYGFH-OAHLLOKOSA-N 0 1 294.320 3.804 20 0 CHADMN Fc1cccc(-c2nc(CN3CCC4(CCC4)C3)co2)c1 ZINC000122872779 1125430256 /nfs/dbraw/zinc/43/02/56/1125430256.db2.gz FXYWSSLQQRINSJ-UHFFFAOYSA-N 0 1 286.350 3.857 20 0 CHADMN CCCN(C)[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000123536042 1125431458 /nfs/dbraw/zinc/43/14/58/1125431458.db2.gz SMEDBVZVEDPQDT-LLVKDONJSA-N 0 1 277.343 3.587 20 0 CHADMN CCCN(C)[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000123535816 1125431480 /nfs/dbraw/zinc/43/14/80/1125431480.db2.gz SMEDBVZVEDPQDT-NSHDSACASA-N 0 1 277.343 3.587 20 0 CHADMN CC(C)[C@@H](NCCC(C)(C)C)c1nc(C2CC2)no1 ZINC000124603842 1125440619 /nfs/dbraw/zinc/44/06/19/1125440619.db2.gz FSDGPYKBIYRDEN-GFCCVEGCSA-N 0 1 265.401 3.670 20 0 CHADMN Cc1oc(-c2cccs2)nc1CNCC[C@@H](C)F ZINC001202602648 1125440666 /nfs/dbraw/zinc/44/06/66/1125440666.db2.gz JGNPLZRMFJMQPV-SECBINFHSA-N 0 1 268.357 3.549 20 0 CHADMN Cc1ncccc1CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000124949032 1125442761 /nfs/dbraw/zinc/44/27/61/1125442761.db2.gz WBNWUVMOSRJIDT-LBPRGKRZSA-N 0 1 276.330 3.861 20 0 CHADMN CCOc1ccccc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000125354345 1125447779 /nfs/dbraw/zinc/44/77/79/1125447779.db2.gz ZUWGMPDEMQZIOX-MRXNPFEDSA-N 0 1 270.376 3.751 20 0 CHADMN CCN(Cc1ccccn1)Cc1cc(F)cc2cccnc21 ZINC000125341285 1125447813 /nfs/dbraw/zinc/44/78/13/1125447813.db2.gz BSQNFVBFISDQJS-UHFFFAOYSA-N 0 1 295.361 3.791 20 0 CHADMN CC[N@@H+](Cc1ccccn1)Cc1ccc(F)c2cccnc12 ZINC000125391267 1125447857 /nfs/dbraw/zinc/44/78/57/1125447857.db2.gz KECCOWOOODNDSM-UHFFFAOYSA-N 0 1 295.361 3.791 20 0 CHADMN CCN(Cc1ccccn1)Cc1ccc(F)c2cccnc12 ZINC000125391267 1125447860 /nfs/dbraw/zinc/44/78/60/1125447860.db2.gz KECCOWOOODNDSM-UHFFFAOYSA-N 0 1 295.361 3.791 20 0 CHADMN Cc1ccccc1-c1nc(CN2CCC[C@H]2C2CCC2)no1 ZINC000126731820 1125456633 /nfs/dbraw/zinc/45/66/33/1125456633.db2.gz YIBDDQOOOOGAMG-INIZCTEOSA-N 0 1 297.402 3.810 20 0 CHADMN O=C(Nc1cccc(C(F)F)c1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635470272 1129182244 /nfs/dbraw/zinc/18/22/44/1129182244.db2.gz BUYVCWCEEJALJL-CQSZACIVSA-N 0 1 294.345 3.580 20 0 CHADMN O=C(Nc1cccc(C(F)F)c1)[C@H]1CCN1C1CCCC1 ZINC000635470272 1129182250 /nfs/dbraw/zinc/18/22/50/1129182250.db2.gz BUYVCWCEEJALJL-CQSZACIVSA-N 0 1 294.345 3.580 20 0 CHADMN CCOc1cncc(CN(C)[C@@H]2CCc3ccccc32)c1 ZINC000621710439 1129182920 /nfs/dbraw/zinc/18/29/20/1129182920.db2.gz BAIQAIMSPSGPKB-GOSISDBHSA-N 0 1 282.387 3.600 20 0 CHADMN COc1ccccc1[C@@H]1CCCCN1Cc1nccnc1C ZINC000621715575 1129184734 /nfs/dbraw/zinc/18/47/34/1129184734.db2.gz YMNTZIHBFAMPRN-KRWDZBQOSA-N 0 1 297.402 3.521 20 0 CHADMN COc1ccc(F)c(CN[C@H](C)c2ccc(C)nc2C)c1 ZINC000621765639 1129190968 /nfs/dbraw/zinc/19/09/68/1129190968.db2.gz AGZBPSYDGBIKGY-GFCCVEGCSA-N 0 1 288.366 3.697 20 0 CHADMN CC(C)c1n[nH]c(COC(=O)CCCC2CCCCC2)n1 ZINC000795220783 1129192302 /nfs/dbraw/zinc/19/23/02/1129192302.db2.gz MWZWJSPFHYWZHD-UHFFFAOYSA-N 0 1 293.411 3.722 20 0 CHADMN CC(C)c1nc(COC(=O)CCCC2CCCCC2)n[nH]1 ZINC000795220783 1129192305 /nfs/dbraw/zinc/19/23/05/1129192305.db2.gz MWZWJSPFHYWZHD-UHFFFAOYSA-N 0 1 293.411 3.722 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1csc(Nc2ccccc2)n1 ZINC000635996995 1129196307 /nfs/dbraw/zinc/19/63/07/1129196307.db2.gz MXGCFFJFFUZVEM-LBPRGKRZSA-N 0 1 287.432 3.539 20 0 CHADMN C[C@H](C1CC1)[N@@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000636008084 1129196445 /nfs/dbraw/zinc/19/64/45/1129196445.db2.gz DDZVTCMYHXMZEO-LLVKDONJSA-N 0 1 274.339 3.711 20 0 CHADMN CC[C@@H](C)[C@H](C(=O)N(C)Cc1cn[nH]c1C)c1ccccc1 ZINC000636067784 1129197776 /nfs/dbraw/zinc/19/77/76/1129197776.db2.gz XKQZBAIIGPSECS-DYVFJYSZSA-N 0 1 299.418 3.506 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2cccc(NC3CCCC3)c2)[nH]1 ZINC000621862587 1129201024 /nfs/dbraw/zinc/20/10/24/1129201024.db2.gz PWCCZQNSDNPSQQ-UHFFFAOYSA-N 0 1 298.390 3.633 20 0 CHADMN O=C([O-])[C@@H]1CCCC[N@H+]1CCCCc1cccc(Cl)c1 ZINC000622002093 1129217571 /nfs/dbraw/zinc/21/75/71/1129217571.db2.gz VFIWJFGTVKDMES-HNNXBMFYSA-N 0 1 295.810 3.602 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N(C)[C@@H](C)C(C)(C)C)o1 ZINC000622050096 1129223546 /nfs/dbraw/zinc/22/35/46/1129223546.db2.gz WPIVSOGKGDWDLQ-ZDUSSCGKSA-N 0 1 294.439 3.628 20 0 CHADMN COc1cncc(C[N@H+]2CCC[C@H]2c2cccs2)c1C ZINC000637865757 1129232582 /nfs/dbraw/zinc/23/25/82/1129232582.db2.gz FFABYAITPQDBJI-AWEZNQCLSA-N 0 1 288.416 3.797 20 0 CHADMN COc1cncc(CN2CCC[C@H]2c2cccs2)c1C ZINC000637865757 1129232585 /nfs/dbraw/zinc/23/25/85/1129232585.db2.gz FFABYAITPQDBJI-AWEZNQCLSA-N 0 1 288.416 3.797 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1cccc(F)c1N ZINC000637880312 1129233453 /nfs/dbraw/zinc/23/34/53/1129233453.db2.gz IMTUIBGDBIFZHP-NSHDSACASA-N 0 1 276.330 3.740 20 0 CHADMN Cn1ccnc1[C@@H](C1CC1)N1CCC[C@H]1c1ccsc1 ZINC000637909248 1129236131 /nfs/dbraw/zinc/23/61/31/1129236131.db2.gz HQJVTNUTEVRIHF-LSDHHAIUSA-N 0 1 287.432 3.770 20 0 CHADMN Cc1ncc([C@H](C)N2CCC[C@@H]2c2ccc(O)cc2)c(C)n1 ZINC000637970704 1129239417 /nfs/dbraw/zinc/23/94/17/1129239417.db2.gz HLSORMODXRADDT-SCLBCKFNSA-N 0 1 297.402 3.697 20 0 CHADMN Cc1scc(CN(C)[C@H]2CCCc3c2cnn3C)c1C ZINC000638154648 1129246075 /nfs/dbraw/zinc/24/60/75/1129246075.db2.gz WFCAQTHXRHBEIY-HNNXBMFYSA-N 0 1 289.448 3.608 20 0 CHADMN c1c(CN[C@H]2CCCc3ccccc32)onc1C1CC1 ZINC000638285880 1129252857 /nfs/dbraw/zinc/25/28/57/1129252857.db2.gz JTEDAKLRRVCLJZ-INIZCTEOSA-N 0 1 268.360 3.719 20 0 CHADMN Cc1nc(CNC[C@@H](OC(C)C)c2ccccc2)cs1 ZINC000638329583 1129254593 /nfs/dbraw/zinc/25/45/93/1129254593.db2.gz VXOZRMAICFPDTE-MRXNPFEDSA-N 0 1 290.432 3.707 20 0 CHADMN CCc1ccc(CNCc2cnc(Cl)s2)cc1 ZINC000718199663 1129257714 /nfs/dbraw/zinc/25/77/14/1129257714.db2.gz GAJGMGSKEUBNTJ-UHFFFAOYSA-N 0 1 266.797 3.649 20 0 CHADMN CC[C@H](NCc1nc2ccccc2nc1C)c1ccncc1 ZINC000638678944 1129265790 /nfs/dbraw/zinc/26/57/90/1129265790.db2.gz WDNYIYVGSCEYID-HNNXBMFYSA-N 0 1 292.386 3.574 20 0 CHADMN C[C@@H](N(C)CN1Cc2c(cccc2Cl)C1=O)C(C)(C)C ZINC000795408049 1129268904 /nfs/dbraw/zinc/26/89/04/1129268904.db2.gz GTDJSVWMGQKFSC-LLVKDONJSA-N 0 1 294.826 3.620 20 0 CHADMN CC(C)C[C@H]1COCCN1Cc1ccc(OC(C)C)cc1 ZINC000733796653 1129271089 /nfs/dbraw/zinc/27/10/89/1129271089.db2.gz JTVZOTHAGYJVAW-KRWDZBQOSA-N 0 1 291.435 3.721 20 0 CHADMN C[C@H]1CN(CCc2cccs2)C[C@@H](c2ccsc2)O1 ZINC000246352513 1129271609 /nfs/dbraw/zinc/27/16/09/1129271609.db2.gz FRUOSDQEWUZCLH-WFASDCNBSA-N 0 1 293.457 3.814 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1NCc1cc(C2CC2)no1 ZINC000638823473 1129271933 /nfs/dbraw/zinc/27/19/33/1129271933.db2.gz SBSOGSCTYQRFFZ-KZULUSFZSA-N 0 1 282.387 3.965 20 0 CHADMN C[C@@H](NCc1nc2ccccc2n1C1CC1)[C@H]1CC1(F)F ZINC000639048658 1129277872 /nfs/dbraw/zinc/27/78/72/1129277872.db2.gz WRNDENGMCUZOQS-ZYHUDNBSSA-N 0 1 291.345 3.505 20 0 CHADMN CN(CC1(c2ccccc2)CC1)[C@H](c1nccn1C)C1CC1 ZINC000639081594 1129280248 /nfs/dbraw/zinc/28/02/48/1129280248.db2.gz JKPNBHJHTJZVTE-KRWDZBQOSA-N 0 1 295.430 3.535 20 0 CHADMN CCCOc1ccc(C(C)(C)NCc2ccns2)cc1 ZINC000639128440 1129284915 /nfs/dbraw/zinc/28/49/15/1129284915.db2.gz YNNZRXSYULTJEJ-UHFFFAOYSA-N 0 1 290.432 3.957 20 0 CHADMN CCN([C@@H](C)c1cccnc1)[C@@H](C)c1cnc(C)nc1C ZINC000639177477 1129289842 /nfs/dbraw/zinc/28/98/42/1129289842.db2.gz DQILSCCYPVSOHM-KBPBESRZSA-N 0 1 284.407 3.633 20 0 CHADMN COc1ncc(CN[C@H]2CCCc3ccc(C)cc32)s1 ZINC000639186667 1129290034 /nfs/dbraw/zinc/29/00/34/1129290034.db2.gz CPHGNUWUOMTAKW-HNNXBMFYSA-N 0 1 288.416 3.627 20 0 CHADMN Cc1ncc([C@@H](C)NC(C)(C)c2ccccc2F)c(C)n1 ZINC000639218127 1129294494 /nfs/dbraw/zinc/29/44/94/1129294494.db2.gz AQJSUPWOTHOUEU-GFCCVEGCSA-N 0 1 287.382 3.818 20 0 CHADMN Cc1cnc(CNC[C@@H]2[C@@H](c3ccccc3)C2(C)C)o1 ZINC000639256227 1129297120 /nfs/dbraw/zinc/29/71/20/1129297120.db2.gz GCWWYOJLBXXHLF-GDBMZVCRSA-N 0 1 270.376 3.512 20 0 CHADMN Cn1c(CN[C@@H]2COCc3ccccc32)cc2ccccc21 ZINC000639271645 1129299258 /nfs/dbraw/zinc/29/92/58/1129299258.db2.gz PAAFCKDQZBWZGU-GOSISDBHSA-N 0 1 292.382 3.539 20 0 CHADMN Cc1ccnc(N[C@@H](c2nccn2C)C2CC2)c1C1CC1 ZINC000639311590 1129301526 /nfs/dbraw/zinc/30/15/26/1129301526.db2.gz OGSDUHIZIOQYMX-OAHLLOKOSA-N 0 1 282.391 3.564 20 0 CHADMN c1ccc(O[C@H]2C[C@H](NCc3nc4ccccc4o3)C2)cc1 ZINC000639318918 1129302735 /nfs/dbraw/zinc/30/27/35/1129302735.db2.gz ZFAWHTPYUBJVEX-CTYIDZIISA-N 0 1 294.354 3.527 20 0 CHADMN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1cccnc1Cl ZINC000766210470 1129305841 /nfs/dbraw/zinc/30/58/41/1129305841.db2.gz YHYVZEGWUSNSGH-LBPRGKRZSA-N 0 1 290.794 3.504 20 0 CHADMN CC[C@](C)(NCc1cnc(C)o1)c1ccc(F)cc1 ZINC000639358992 1129306160 /nfs/dbraw/zinc/30/61/60/1129306160.db2.gz HNXPBBXFJMSZBO-HNNXBMFYSA-N 0 1 262.328 3.537 20 0 CHADMN O[C@H]1CCN(Cc2cccc(F)c2)[C@H](c2ccccc2)C1 ZINC000639367634 1129307214 /nfs/dbraw/zinc/30/72/14/1129307214.db2.gz SWBOPVLOXJVLGO-ROUUACIJSA-N 0 1 285.362 3.524 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000639366792 1129307748 /nfs/dbraw/zinc/30/77/48/1129307748.db2.gz NOKMJERRBHNIKR-IEBWSBKVSA-N 0 1 299.389 3.832 20 0 CHADMN CCc1ccc(CN2CC[C@@H](O)C[C@H]2c2ccccc2)o1 ZINC000639366363 1129307932 /nfs/dbraw/zinc/30/79/32/1129307932.db2.gz KCRUGYPNVMVXEG-QAPCUYQASA-N 0 1 285.387 3.540 20 0 CHADMN O[C@H]1CCN(Cc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000639365995 1129308056 /nfs/dbraw/zinc/30/80/56/1129308056.db2.gz HVIKAHUGYKAATE-FUHWJXTLSA-N 0 1 285.362 3.524 20 0 CHADMN c1snnc1CNC[C@]1(Cc2ccccc2)C=CCCC1 ZINC000639379998 1129308663 /nfs/dbraw/zinc/30/86/63/1129308663.db2.gz BZXWRCFOCVVSGT-QGZVFWFLSA-N 0 1 299.443 3.597 20 0 CHADMN CC(C)n1ccnc1CN1CCC2(CCSCC2)CC1 ZINC000639374688 1129308739 /nfs/dbraw/zinc/30/87/39/1129308739.db2.gz JAQKOBMHCGLGCS-UHFFFAOYSA-N 0 1 293.480 3.573 20 0 CHADMN CCCCC[C@H](NC(=O)c1[nH]nc2c1CCC2)C(C)(C)C ZINC000734448857 1129309102 /nfs/dbraw/zinc/30/91/02/1129309102.db2.gz QTYUYLNNIJIMKL-AWEZNQCLSA-N 0 1 291.439 3.623 20 0 CHADMN CC1(C)CN(Cc2ccccc2OCc2ccccn2)C1 ZINC000639405885 1129311796 /nfs/dbraw/zinc/31/17/96/1129311796.db2.gz NRGWOAQUAMCATK-UHFFFAOYSA-N 0 1 282.387 3.502 20 0 CHADMN Cc1cc(C)c(CN(Cc2ccccn2)C(C)C)c(C)n1 ZINC000639455567 1129316130 /nfs/dbraw/zinc/31/61/30/1129316130.db2.gz RXPLYQCZZGTGSR-UHFFFAOYSA-N 0 1 283.419 3.812 20 0 CHADMN CC(C)CC(C)(C)CNC(=O)c1ccc(Cl)c(O)c1 ZINC001149102568 1131366050 /nfs/dbraw/zinc/36/60/50/1131366050.db2.gz YDBPMNXWMIUBLV-UHFFFAOYSA-N 0 1 283.799 3.848 20 0 CHADMN CCCN(Cc1coc(-c2cccc(OC)c2)n1)C1CC1 ZINC000639476703 1129318850 /nfs/dbraw/zinc/31/88/50/1129318850.db2.gz QURSHYUWULXXDV-UHFFFAOYSA-N 0 1 286.375 3.725 20 0 CHADMN Fc1cccc([C@H]2CC[N@H+]2Cc2cccc3c2CCOC3)c1 ZINC000639511083 1129320335 /nfs/dbraw/zinc/32/03/35/1129320335.db2.gz MHFBGOPNSUEXPW-LJQANCHMSA-N 0 1 297.373 3.845 20 0 CHADMN Fc1cccc([C@H]2CCN2Cc2cccc3c2CCOC3)c1 ZINC000639511083 1129320340 /nfs/dbraw/zinc/32/03/40/1129320340.db2.gz MHFBGOPNSUEXPW-LJQANCHMSA-N 0 1 297.373 3.845 20 0 CHADMN Cc1cc(C)c(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c(C)n1 ZINC000639522281 1129320625 /nfs/dbraw/zinc/32/06/25/1129320625.db2.gz GNTWLRKBRFAYPY-QGZVFWFLSA-N 0 1 269.392 3.672 20 0 CHADMN COc1ccccc1-c1ccc([C@@H](C)NCC(C)=O)cc1 ZINC000639566544 1129323678 /nfs/dbraw/zinc/32/36/78/1129323678.db2.gz TWSJDAMWQLVGOA-CQSZACIVSA-N 0 1 283.371 3.602 20 0 CHADMN C[C@@H](NCc1nc(C2CCC2)no1)[C@@H](C)c1ccccc1 ZINC000639570544 1129324239 /nfs/dbraw/zinc/32/42/39/1129324239.db2.gz POCAOMPDFRXGMB-CHWSQXEVSA-N 0 1 285.391 3.619 20 0 CHADMN COc1ccc(F)c(N=C2CCC(OC)CC2)c1Cl ZINC001212881069 1129331880 /nfs/dbraw/zinc/33/18/80/1129331880.db2.gz CCKVUKQICOGBLI-JTQLQIEISA-N 0 1 285.746 3.982 20 0 CHADMN COc1ccc(C[C@@H](C)NCc2ncc(Cl)s2)cc1 ZINC000719428190 1129333601 /nfs/dbraw/zinc/33/36/01/1129333601.db2.gz BLFCZUDQRMTMGV-SNVBAGLBSA-N 0 1 296.823 3.526 20 0 CHADMN CN(CC/C=C\c1ccccc1)Cc1ccns1 ZINC000639806809 1129334933 /nfs/dbraw/zinc/33/49/33/1129334933.db2.gz GTIHYCTYYPHNQT-UITAMQMPSA-N 0 1 258.390 3.678 20 0 CHADMN C(=C/c1ccccc1)\CCN1CCC[C@H]1c1ncccn1 ZINC000639868410 1129337066 /nfs/dbraw/zinc/33/70/66/1129337066.db2.gz LVVLGFQPKGGVQC-COKXLDBZSA-N 0 1 279.387 3.717 20 0 CHADMN CC(C)n1ccc(CN2CCC3(CCSCC3)CC2)n1 ZINC000639979130 1129342412 /nfs/dbraw/zinc/34/24/12/1129342412.db2.gz FQCIDUIKJAEBOC-UHFFFAOYSA-N 0 1 293.480 3.573 20 0 CHADMN Cc1nc(CNc2ccc3c(n2)CCCC3)sc1C ZINC000719618727 1129348242 /nfs/dbraw/zinc/34/82/42/1129348242.db2.gz WXNPOJONXGSDKQ-UHFFFAOYSA-N 0 1 273.405 3.646 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC[C@H](C3CCC3)CC2)s1 ZINC000640106412 1129349189 /nfs/dbraw/zinc/34/91/89/1129349189.db2.gz POPRCZGKVIKYDK-RISCZKNCSA-N 0 1 279.453 3.810 20 0 CHADMN Cc1ccsc1CNCc1nc2c(s1)CCCC2 ZINC000719641495 1129349504 /nfs/dbraw/zinc/34/95/04/1129349504.db2.gz STFYJLVQFPJLIJ-UHFFFAOYSA-N 0 1 278.446 3.682 20 0 CHADMN C[C@H]1CCC[C@@H](NC(=O)c2n[nH]c3ccc(Cl)cc32)C1 ZINC001124943757 1131368327 /nfs/dbraw/zinc/36/83/27/1131368327.db2.gz QPSSNQOVNQXMDF-GXSJLCMTSA-N 0 1 291.782 3.525 20 0 CHADMN CCc1cc(CCCN[C@@H](CF)c2ccc(F)cc2)on1 ZINC000640154668 1129351072 /nfs/dbraw/zinc/35/10/72/1129351072.db2.gz KJNKCKYWQZSDEV-INIZCTEOSA-N 0 1 294.345 3.609 20 0 CHADMN CCCCC[C@@H](CC)N1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001258435360 1129353283 /nfs/dbraw/zinc/35/32/83/1129353283.db2.gz KPDTZHPOIGKZDY-UPJWGTAASA-N 0 1 299.352 3.683 20 0 CHADMN Cc1nc2cc(Nc3cc(CO)ccc3Cl)ccc2[nH]1 ZINC001213076611 1129356323 /nfs/dbraw/zinc/35/63/23/1129356323.db2.gz VFTPGCMCWRLQGZ-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN CCc1n[nH]cc1-c1nc(-c2ccc(Cl)c(C)c2)no1 ZINC001212885723 1129360622 /nfs/dbraw/zinc/36/06/22/1129360622.db2.gz WQDMRDIVNUTDDB-UHFFFAOYSA-N 0 1 288.738 3.651 20 0 CHADMN O[C@H](CN1CC(C2CCCC2)C1)c1ccc(F)cc1Cl ZINC000795552783 1129362471 /nfs/dbraw/zinc/36/24/71/1129362471.db2.gz KIGIHLAUOSFWQP-MRXNPFEDSA-N 0 1 297.801 3.635 20 0 CHADMN CCCCC[C@H](CC)N1CCN(C)c2ncccc2C1 ZINC001258441412 1129362679 /nfs/dbraw/zinc/36/26/79/1129362679.db2.gz KPTBUZSCORAZRL-INIZCTEOSA-N 0 1 275.440 3.692 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@@H]2CCCc3cccnc32)s1 ZINC000091661261 1129367870 /nfs/dbraw/zinc/36/78/70/1129367870.db2.gz XPAFVHKJAUCADV-SMDDNHRTSA-N 0 1 287.432 3.883 20 0 CHADMN Fc1cccc(-c2cc(N3CCCCC3)ccn2)c1 ZINC001239533593 1131369997 /nfs/dbraw/zinc/36/99/97/1131369997.db2.gz KRQCFCBAGRSPDW-UHFFFAOYSA-N 0 1 256.324 3.878 20 0 CHADMN CC(C)[C@H](NCc1cccc(F)c1)c1ccccn1 ZINC000736647132 1129378849 /nfs/dbraw/zinc/37/88/49/1129378849.db2.gz GFKQRAKTABEDDF-INIZCTEOSA-N 0 1 258.340 3.708 20 0 CHADMN CCCC(=CC(=O)Nc1cccc(-c2nnc[nH]2)c1)CCC ZINC000092389820 1129390555 /nfs/dbraw/zinc/39/05/55/1129390555.db2.gz PDCVTBZRCXWNLL-UHFFFAOYSA-N 0 1 298.390 3.937 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccc(OC(F)F)cc2)s1 ZINC000179130283 1129390959 /nfs/dbraw/zinc/39/09/59/1129390959.db2.gz PMSJKRYZYNJWOJ-SECBINFHSA-N 0 1 298.358 3.904 20 0 CHADMN CCn1cc(CNCc2ccc(C)o2)c(-c2ccccc2)n1 ZINC000641775842 1129391396 /nfs/dbraw/zinc/39/13/96/1129391396.db2.gz JRRDVHDNSIAMPR-UHFFFAOYSA-N 0 1 295.386 3.761 20 0 CHADMN CSc1ccc(CN[C@@H]2CCO[C@H]2c2ccccc2)o1 ZINC000641773114 1129391673 /nfs/dbraw/zinc/39/16/73/1129391673.db2.gz FJAPPFBRQWCACZ-ZBFHGGJFSA-N 0 1 289.400 3.621 20 0 CHADMN Cc1nc2cc(-c3ccc(F)c(F)c3F)ccc2[nH]1 ZINC001240989504 1129393802 /nfs/dbraw/zinc/39/38/02/1129393802.db2.gz JOSIUIBZFWLHNB-UHFFFAOYSA-N 0 1 262.234 3.956 20 0 CHADMN Cc1ccc2nc(SCCC(=O)C(C)(C)C)[nH]c2c1 ZINC000739432366 1129404396 /nfs/dbraw/zinc/40/43/96/1129404396.db2.gz UIZGRELDTNNVLV-UHFFFAOYSA-N 0 1 276.405 3.969 20 0 CHADMN CC[C@H]1CCN1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000795649710 1129406074 /nfs/dbraw/zinc/40/60/74/1129406074.db2.gz QIHCHBBCFZAMAW-GWCFXTLKSA-N 0 1 274.191 3.511 20 0 CHADMN c1ccc(Oc2cc(CNCc3ccncc3)ccn2)cc1 ZINC000642341250 1129414486 /nfs/dbraw/zinc/41/44/86/1129414486.db2.gz APIUFGBBTMKCSS-UHFFFAOYSA-N 0 1 291.354 3.559 20 0 CHADMN CCN(CC(=O)Nc1cccc(C)c1)Cc1ccccc1C ZINC000642329698 1129414565 /nfs/dbraw/zinc/41/45/65/1129414565.db2.gz CAUUHSREVQRVJX-UHFFFAOYSA-N 0 1 296.414 3.764 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)C1 ZINC000248561544 1129422202 /nfs/dbraw/zinc/42/22/02/1129422202.db2.gz NNQBDYVUCRKSIU-MTSZKFMLSA-N 0 1 293.451 3.921 20 0 CHADMN C[C@H](N[C@@H](C)[C@@H]1CC1(F)F)c1nccn1-c1ccccc1 ZINC000642718677 1129424523 /nfs/dbraw/zinc/42/45/23/1129424523.db2.gz FSEGQGSDHXJTTG-OBJOEFQTSA-N 0 1 291.345 3.567 20 0 CHADMN CC[C@H](NCc1noc(-c2cccs2)n1)[C@H]1CC1(C)C ZINC000642718179 1129424721 /nfs/dbraw/zinc/42/47/21/1129424721.db2.gz OSPRXWGXFBPCFZ-MNOVXSKESA-N 0 1 291.420 3.712 20 0 CHADMN CC[C@@H](OC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC000741030171 1129426586 /nfs/dbraw/zinc/42/65/86/1129426586.db2.gz DOHYPVTVKMMRET-DOTOQJQBSA-N 0 1 289.419 3.945 20 0 CHADMN C[C@H](OC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)c1ccccc1F ZINC000741016105 1129426675 /nfs/dbraw/zinc/42/66/75/1129426675.db2.gz FXBGOOIXWPUDMM-CRWXNKLISA-N 0 1 293.382 3.691 20 0 CHADMN COc1cccc(CNc2cc3c(cn2)CCCC3)c1F ZINC000642944363 1129427038 /nfs/dbraw/zinc/42/70/38/1129427038.db2.gz PIAIHOIRSSNQRP-UHFFFAOYSA-N 0 1 286.350 3.720 20 0 CHADMN CCCC[C@@H](CC)CSc1nc(C2CC2)n[nH]1 ZINC000643095984 1129427646 /nfs/dbraw/zinc/42/76/46/1129427646.db2.gz KNYSLGSVXXPNBR-SNVBAGLBSA-N 0 1 253.415 3.991 20 0 CHADMN CCCC[C@@H](CC)CSc1n[nH]c(C2CC2)n1 ZINC000643095984 1129427649 /nfs/dbraw/zinc/42/76/49/1129427649.db2.gz KNYSLGSVXXPNBR-SNVBAGLBSA-N 0 1 253.415 3.991 20 0 CHADMN CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179827343 1129434042 /nfs/dbraw/zinc/43/40/42/1129434042.db2.gz XBHRVLUXNRMOOV-VFZGTOFNSA-N 0 1 293.317 3.875 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)[C@H]3CC34CC4)cc2[nH]1 ZINC000643331080 1129438514 /nfs/dbraw/zinc/43/85/14/1129438514.db2.gz ZBJFJWSLEFRAEV-LLVKDONJSA-N 0 1 283.375 3.599 20 0 CHADMN CC(C)(C)C(=N)Nc1nc(Cl)ccc1CN1CCCC1 ZINC001155180021 1129443859 /nfs/dbraw/zinc/44/38/59/1129443859.db2.gz HXAOJNGJJGVNIT-UHFFFAOYSA-N 0 1 294.830 3.766 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000094525532 1129446771 /nfs/dbraw/zinc/44/67/71/1129446771.db2.gz KNXJTELBEUJNJC-QGZVFWFLSA-N 0 1 287.403 3.783 20 0 CHADMN CCC1(CC)CCN(Cc2ccc(Cl)nc2)C1 ZINC000094801050 1129452579 /nfs/dbraw/zinc/45/25/79/1129452579.db2.gz IKOGBUHWFFWQML-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1oc2ccc(F)cc2c1C ZINC000180237096 1129463226 /nfs/dbraw/zinc/46/32/26/1129463226.db2.gz OYVGNSFAEYTSKI-SNVBAGLBSA-N 0 1 287.338 3.763 20 0 CHADMN C[C@]1(c2ccc(F)cc2)CCN(Cc2ccc(F)nc2)C1 ZINC000796044380 1129465010 /nfs/dbraw/zinc/46/50/10/1129465010.db2.gz ZXCHFZMJHBBKBZ-KRWDZBQOSA-N 0 1 288.341 3.523 20 0 CHADMN Cc1cccc(F)c1CNCc1ccc(F)c(F)c1 ZINC000742380542 1129472797 /nfs/dbraw/zinc/47/27/97/1129472797.db2.gz GGUCGUGMWMLMMD-UHFFFAOYSA-N 0 1 265.278 3.702 20 0 CHADMN COc1ccccc1-c1cccc(CN(C)C)c1F ZINC001239542999 1131376532 /nfs/dbraw/zinc/37/65/32/1131376532.db2.gz KLUBTAVPDGCWRI-UHFFFAOYSA-N 0 1 259.324 3.563 20 0 CHADMN CCCCC[C@H](CCC)NCc1nc(C2CC2)no1 ZINC001258665278 1129478101 /nfs/dbraw/zinc/47/81/01/1129478101.db2.gz WUJWBWGKDFVQPF-ZDUSSCGKSA-N 0 1 265.401 3.786 20 0 CHADMN C[C@@H](CF)NCC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000644890734 1129479473 /nfs/dbraw/zinc/47/94/73/1129479473.db2.gz CFHRLTQPWQCIGF-QMMMGPOBSA-N 0 1 290.165 3.717 20 0 CHADMN CC(C)n1cncc1CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000644901135 1129480228 /nfs/dbraw/zinc/48/02/28/1129480228.db2.gz VXINWFLGEQZWNG-QGZVFWFLSA-N 0 1 285.391 3.507 20 0 CHADMN CCCCC[C@@H](CCC)NC1(c2ncccn2)CC1 ZINC001258666888 1129480917 /nfs/dbraw/zinc/48/09/17/1129480917.db2.gz LJCNIODLLWCOCC-CQSZACIVSA-N 0 1 261.413 3.804 20 0 CHADMN CCc1ccc(CN2C[C@H](C(F)(F)F)CC[C@H]2C)nc1 ZINC000645113685 1129488018 /nfs/dbraw/zinc/48/80/18/1129488018.db2.gz BIVWBPIAZGKNCZ-DGCLKSJQSA-N 0 1 286.341 3.807 20 0 CHADMN Cc1nc(-c2cccc(NC(=O)C=CC3CC3)c2)[nH]c1C ZINC000742579399 1129488332 /nfs/dbraw/zinc/48/83/32/1129488332.db2.gz XKYMILOHKLQIDQ-HJWRWDBZSA-N 0 1 281.359 3.598 20 0 CHADMN COc1ccc(F)c(CN[C@H]2CCc3ccc(C)cc32)c1 ZINC000645153621 1129489444 /nfs/dbraw/zinc/48/94/44/1129489444.db2.gz BSAZKFAXRVWAKA-SFHVURJKSA-N 0 1 285.362 3.920 20 0 CHADMN CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cccc([O-])c2Cl)C1(C)C ZINC000645171838 1129490310 /nfs/dbraw/zinc/49/03/10/1129490310.db2.gz RZWGPWIXPVTKOW-KGLIPLIRSA-N 0 1 297.826 3.727 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1oc2ccccc2c1C ZINC000180547570 1129490325 /nfs/dbraw/zinc/49/03/25/1129490325.db2.gz MHTNWSFOFFASIN-NSHDSACASA-N 0 1 269.348 3.624 20 0 CHADMN CC(C)(C)C1CC([NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000645191894 1129490894 /nfs/dbraw/zinc/49/08/94/1129490894.db2.gz UOAAQFSCWIUAOQ-UHFFFAOYSA-N 0 1 267.800 3.960 20 0 CHADMN CCOc1ccc(CNC(C)(C)c2ccccc2C)nc1 ZINC000645197822 1129491118 /nfs/dbraw/zinc/49/11/18/1129491118.db2.gz LSDIQNHONUXNAL-UHFFFAOYSA-N 0 1 284.403 3.814 20 0 CHADMN CCc1noc(C)c1CNCc1ccccc1C1CC1 ZINC000645187931 1129491144 /nfs/dbraw/zinc/49/11/44/1129491144.db2.gz UTWIUQOTLUOUPT-UHFFFAOYSA-N 0 1 270.376 3.713 20 0 CHADMN C[C@H](O)c1ccc(CNCc2ccc([C@H]3C[C@H]3C)o2)cc1 ZINC000250671762 1129493317 /nfs/dbraw/zinc/49/33/17/1129493317.db2.gz XUQIMIPOZBFKDN-IGCXYCKISA-N 0 1 285.387 3.746 20 0 CHADMN COc1ccncc1CN[C@@H]1c2ccccc2CC[C@@H]1C ZINC000645467288 1129498538 /nfs/dbraw/zinc/49/85/38/1129498538.db2.gz TZFHFJPPJVBMLL-UGSOOPFHSA-N 0 1 282.387 3.503 20 0 CHADMN CC(C)(CN1CCO[C@@H](c2ccco2)C1)c1ccccc1 ZINC000180628549 1129500106 /nfs/dbraw/zinc/50/01/06/1129500106.db2.gz MJSFIAOPWJZQRN-QGZVFWFLSA-N 0 1 285.387 3.631 20 0 CHADMN CCCCCCN(CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000302835038 1129504132 /nfs/dbraw/zinc/50/41/32/1129504132.db2.gz ZOMDAOJUPOYPNZ-UHFFFAOYSA-N 0 1 287.407 3.738 20 0 CHADMN CN(CC1=CCCC1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000645807016 1129507664 /nfs/dbraw/zinc/50/76/64/1129507664.db2.gz QXAPXXSFTJRPOL-SFHVURJKSA-N 0 1 299.393 3.691 20 0 CHADMN C[C@@H](CC[N@H+]1CCCC[C@H]1CCC(=O)[O-])c1ccccc1 ZINC000251165843 1129513536 /nfs/dbraw/zinc/51/35/36/1129513536.db2.gz DAQNUCMJYFQILR-RDJZCZTQSA-N 0 1 289.419 3.900 20 0 CHADMN COc1nc(C)cc(C)c1CNC1(c2ccccc2C)CC1 ZINC000645980718 1129516221 /nfs/dbraw/zinc/51/62/21/1129516221.db2.gz FLXHVYWXEPFPKG-UHFFFAOYSA-N 0 1 296.414 3.794 20 0 CHADMN Cc1ccccc1C1(NCc2ccc(Cl)cn2)CC1 ZINC000645980789 1129516266 /nfs/dbraw/zinc/51/62/66/1129516266.db2.gz KQDYIBZGTNGYAI-UHFFFAOYSA-N 0 1 272.779 3.822 20 0 CHADMN CC(C)n1nccc1CNC1(c2cccc(F)c2)CCC1 ZINC000646002206 1129516814 /nfs/dbraw/zinc/51/68/14/1129516814.db2.gz VXEBNLNUMQTPCU-UHFFFAOYSA-N 0 1 287.382 3.772 20 0 CHADMN Cc1ccc([C@H](O)CN(C)Cc2ccccc2Cl)cc1 ZINC000743250082 1129517076 /nfs/dbraw/zinc/51/70/76/1129517076.db2.gz VICOQHFJIPDAIM-QGZVFWFLSA-N 0 1 289.806 3.814 20 0 CHADMN Cc1cnc(CN2CCC[C@]2(C)Cc2ccccc2F)o1 ZINC000646012705 1129517235 /nfs/dbraw/zinc/51/72/35/1129517235.db2.gz WKSIIXIDDZXAHG-QGZVFWFLSA-N 0 1 288.366 3.719 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@H](C)c2ccccc2Cl)C1 ZINC000251263887 1129519418 /nfs/dbraw/zinc/51/94/18/1129519418.db2.gz OBPKKXULEKZKMW-MLGOLLRUSA-N 0 1 295.810 3.978 20 0 CHADMN CCc1ccccc1CN[C@H](CCO)c1ccccc1F ZINC000646070043 1129519940 /nfs/dbraw/zinc/51/99/40/1129519940.db2.gz GWSYQTZUYHAVIW-GOSISDBHSA-N 0 1 287.378 3.601 20 0 CHADMN Cc1cc(CN[C@H](CCO)c2ccccc2F)c(C)s1 ZINC000646068438 1129520111 /nfs/dbraw/zinc/52/01/11/1129520111.db2.gz SCRLKJFKRBIDRO-MRXNPFEDSA-N 0 1 293.407 3.717 20 0 CHADMN CCc1ccc(-c2noc(CN(C)C(C)(C)C)n2)cc1 ZINC000646087273 1129521431 /nfs/dbraw/zinc/52/14/31/1129521431.db2.gz HBBWRQKZZNPSGC-UHFFFAOYSA-N 0 1 273.380 3.529 20 0 CHADMN CCCCN(CC)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743349255 1129522338 /nfs/dbraw/zinc/52/23/38/1129522338.db2.gz RGGKYESQPHAZFU-HNNXBMFYSA-N 0 1 294.826 3.693 20 0 CHADMN Cc1nccc(CNC2(c3cccc(Cl)c3)CCC2)n1 ZINC000646095604 1129522463 /nfs/dbraw/zinc/52/24/63/1129522463.db2.gz XYKGBIBPWKYMKO-UHFFFAOYSA-N 0 1 287.794 3.607 20 0 CHADMN CC1(C)CN(CCc2ccccc2F)[C@@H]1c1ccncc1 ZINC000646216404 1129528768 /nfs/dbraw/zinc/52/87/68/1129528768.db2.gz AHJVWNJCCVWNKD-QGZVFWFLSA-N 0 1 284.378 3.846 20 0 CHADMN CC(C)[C@]1(CO)CCCN(Cc2cscc2Cl)C1 ZINC000646287856 1129531089 /nfs/dbraw/zinc/53/10/89/1129531089.db2.gz KDBJZRFGWHSLCA-CQSZACIVSA-N 0 1 287.856 3.632 20 0 CHADMN COc1cc(-c2ccc3nc[nH]c3c2C)ccc1F ZINC001241419087 1129537398 /nfs/dbraw/zinc/53/73/98/1129537398.db2.gz UTIDCRCQVBCDHK-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CC(C)(C)CCC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000646465195 1129537949 /nfs/dbraw/zinc/53/79/49/1129537949.db2.gz BBEWJTJTRSDOPA-UHFFFAOYSA-N 0 1 287.363 3.547 20 0 CHADMN CC[C@@]1(C)CCCN(C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000743860824 1129541320 /nfs/dbraw/zinc/54/13/20/1129541320.db2.gz WGLAUFOCDOQXCD-CVEARBPZSA-N 0 1 283.362 3.510 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nnc(C(C)(C)C)o1 ZINC000743854450 1129541351 /nfs/dbraw/zinc/54/13/51/1129541351.db2.gz XSXBGVWMPOSLBU-FRRDWIJNSA-N 0 1 277.412 3.520 20 0 CHADMN c1cn(-c2ccccc2)nc1CN1CCC2(CCCC2)C1 ZINC000743864560 1129541871 /nfs/dbraw/zinc/54/18/71/1129541871.db2.gz KUKJXMOVAWFIPD-UHFFFAOYSA-N 0 1 281.403 3.638 20 0 CHADMN O=C(CN1CCC2(CCCC2)C1)Nc1cccc(Cl)c1 ZINC000743865168 1129542617 /nfs/dbraw/zinc/54/26/17/1129542617.db2.gz WVPAWDYBJIUBLU-UHFFFAOYSA-N 0 1 292.810 3.545 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@H](C)C3CCCC3)[nH]c2c1 ZINC000646984428 1129548722 /nfs/dbraw/zinc/54/87/22/1129548722.db2.gz SEELPWFBXXOBQE-LLVKDONJSA-N 0 1 271.364 3.636 20 0 CHADMN C[C@@H](c1nc([C@H]2CCCN2)no1)c1ccc2ccccc2c1 ZINC000647148564 1129551805 /nfs/dbraw/zinc/55/18/05/1129551805.db2.gz QGPKCAQIJQUTAT-MLGOLLRUSA-N 0 1 293.370 3.799 20 0 CHADMN Cc1cccc(C2(c3nc(C4(N)CCCC4)no3)CCC2)c1 ZINC000647136573 1129551956 /nfs/dbraw/zinc/55/19/56/1129551956.db2.gz VEYHEIOZENNXTG-UHFFFAOYSA-N 0 1 297.402 3.576 20 0 CHADMN CC(C)[C@@H](CCc1ccccc1)c1nc([C@@H]2CCCN2)no1 ZINC000647145564 1129552003 /nfs/dbraw/zinc/55/20/03/1129552003.db2.gz ZMPSOSNZUBJORG-CVEARBPZSA-N 0 1 299.418 3.867 20 0 CHADMN CC(C)[C@@H](Cc1nc(C2(N)CCCC2)no1)c1ccccc1 ZINC000647137349 1129552134 /nfs/dbraw/zinc/55/21/34/1129552134.db2.gz XNDKXZSWCRQLGV-OAHLLOKOSA-N 0 1 299.418 3.780 20 0 CHADMN CC(C)[C@H](CCc1ccccc1)c1nc([C@@H]2CCCN2)no1 ZINC000647145565 1129552288 /nfs/dbraw/zinc/55/22/88/1129552288.db2.gz ZMPSOSNZUBJORG-HOTGVXAUSA-N 0 1 299.418 3.867 20 0 CHADMN Clc1ccc2oc(-c3nc([C@H]4CCCN4)no3)cc2c1 ZINC000647153434 1129552818 /nfs/dbraw/zinc/55/28/18/1129552818.db2.gz CAMACNBPUJVKNF-SNVBAGLBSA-N 0 1 289.722 3.561 20 0 CHADMN C/C(=C/c1ccccc1Cl)c1nc([C@H]2CCCN2)no1 ZINC000647156930 1129553198 /nfs/dbraw/zinc/55/31/98/1129553198.db2.gz WBNZZMSLCHZBPS-ASCRHOAZSA-N 0 1 289.766 3.708 20 0 CHADMN COc1ccccc1[C@H](N[C@H]1CO[C@@H](C)C1)c1ccccc1 ZINC000647181582 1129555111 /nfs/dbraw/zinc/55/51/11/1129555111.db2.gz IUACMRLJSJXSFH-ZSZQSSIHSA-N 0 1 297.398 3.552 20 0 CHADMN FC(F)(F)c1ccn(CN2CCC[C@H]2C2CCCC2)n1 ZINC000744140858 1129555132 /nfs/dbraw/zinc/55/51/32/1129555132.db2.gz BPLSZMCVMKSILD-LBPRGKRZSA-N 0 1 287.329 3.514 20 0 CHADMN Fc1cc(F)c(F)c(CNC2CCC(F)(F)CC2)c1F ZINC000647190037 1129555614 /nfs/dbraw/zinc/55/56/14/1129555614.db2.gz FRCOLFHGBWJIQP-UHFFFAOYSA-N 0 1 297.242 3.911 20 0 CHADMN COCc1ccc([C@@H]2CCCN2CCC(=O)CC(C)C)o1 ZINC000828276646 1131381918 /nfs/dbraw/zinc/38/19/18/1131381918.db2.gz CAQCGMAGCBEJEW-INIZCTEOSA-N 0 1 293.407 3.568 20 0 CHADMN COc1ccccc1C1(NCc2cccc3cc[nH]c32)CC1 ZINC000647233166 1129559256 /nfs/dbraw/zinc/55/92/56/1129559256.db2.gz YBBQXKAAEFDZBV-UHFFFAOYSA-N 0 1 292.382 3.955 20 0 CHADMN OCc1ccc(CNC2(c3cccc(Cl)c3)CCC2)o1 ZINC000647251650 1129560909 /nfs/dbraw/zinc/56/09/09/1129560909.db2.gz FHTTVZQKUIAMBL-UHFFFAOYSA-N 0 1 291.778 3.594 20 0 CHADMN CCCCCC[C@@](C)(CCC)C(=O)N1CCCN(C)CC1 ZINC000744344451 1129570161 /nfs/dbraw/zinc/57/01/61/1129570161.db2.gz XZTDAYFUIKKPDE-GOSISDBHSA-N 0 1 296.499 3.927 20 0 CHADMN Clc1cnc2[nH]ccc2c1CN1CC(c2ccccc2)C1 ZINC001138952467 1129570658 /nfs/dbraw/zinc/57/06/58/1129570658.db2.gz QOPRCCBKNHKJOL-UHFFFAOYSA-N 0 1 297.789 3.767 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](CCO)c2ccccc2F)cs1 ZINC000647344177 1129571972 /nfs/dbraw/zinc/57/19/72/1129571972.db2.gz LCEVFWVWEDJZCS-LRDDRELGSA-N 0 1 293.407 3.970 20 0 CHADMN C[C@@H](N(C)Cc1nnc(-c2cccc(F)c2)o1)C(C)(C)C ZINC000744386127 1129575884 /nfs/dbraw/zinc/57/58/84/1129575884.db2.gz CKLJEJZNXMRHNQ-LLVKDONJSA-N 0 1 291.370 3.742 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN1CCC2(CCCC2)C1 ZINC000744421161 1129576526 /nfs/dbraw/zinc/57/65/26/1129576526.db2.gz WZYXGTGHWGSOBQ-UHFFFAOYSA-N 0 1 286.419 3.508 20 0 CHADMN CC(C)C[C@@H]1CC(=O)N(CN2CCC(C(C)(C)C)CC2)C1 ZINC000744435386 1129576843 /nfs/dbraw/zinc/57/68/43/1129576843.db2.gz PEBRDJIVKFDYDN-OAHLLOKOSA-N 0 1 294.483 3.597 20 0 CHADMN CCCOC(=O)[C@@H](C)N1CCC[C@H](c2ccccc2)CC1 ZINC000303949881 1129581772 /nfs/dbraw/zinc/58/17/72/1129581772.db2.gz VKABPNFBHPVBNP-WBVHZDCISA-N 0 1 289.419 3.598 20 0 CHADMN CCCOC(=O)[C@@H](C)N1CCC[C@@H](c2ccccc2)CC1 ZINC000303949879 1129581835 /nfs/dbraw/zinc/58/18/35/1129581835.db2.gz VKABPNFBHPVBNP-NVXWUHKLSA-N 0 1 289.419 3.598 20 0 CHADMN CC[C@@H](C)[C@@H](C)C(=O)Nc1ccccc1Nc1ccncc1 ZINC000647642330 1129583364 /nfs/dbraw/zinc/58/33/64/1129583364.db2.gz OQRGMAMQWTZEGI-ZIAGYGMSSA-N 0 1 297.402 3.868 20 0 CHADMN c1nc2c([nH]1)CN(C1c3ccccc3-c3ccccc31)CC2 ZINC000647933398 1129588078 /nfs/dbraw/zinc/58/80/78/1129588078.db2.gz NBGPDGAJVOXJKD-UHFFFAOYSA-N 0 1 287.366 3.538 20 0 CHADMN Cc1ccc(-c2nn(C)cc2CN2CC3(C2)CCCCC3)o1 ZINC000648042696 1129592789 /nfs/dbraw/zinc/59/27/89/1129592789.db2.gz ODNMZTGOILTFNG-UHFFFAOYSA-N 0 1 299.418 3.755 20 0 CHADMN COc1ccccc1CN(Cc1ccc(C)nc1)CC1CC1 ZINC000648057737 1129593975 /nfs/dbraw/zinc/59/39/75/1129593975.db2.gz LVPUZLPBDKOYOB-UHFFFAOYSA-N 0 1 296.414 3.811 20 0 CHADMN CC(C)Oc1ccc(CN2CC(C)(CC(F)F)C2)cc1 ZINC000648058652 1129594457 /nfs/dbraw/zinc/59/44/57/1129594457.db2.gz WSOQMUSATZYNOR-UHFFFAOYSA-N 0 1 283.362 3.951 20 0 CHADMN C=Cn1cc(CN2CC3(CC=CC3)[C@H]2c2ccccc2)cn1 ZINC000648075023 1129597509 /nfs/dbraw/zinc/59/75/09/1129597509.db2.gz SRANZVXLKVMRPS-GOSISDBHSA-N 0 1 291.398 3.877 20 0 CHADMN CC1(CNC(=O)Cc2[nH]nc3ccccc32)CCCCCC1 ZINC000182118352 1129597676 /nfs/dbraw/zinc/59/76/76/1129597676.db2.gz QLJLOPDOOXCEPV-UHFFFAOYSA-N 0 1 299.418 3.582 20 0 CHADMN Cc1cnccc1C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000648379976 1129604558 /nfs/dbraw/zinc/60/45/58/1129604558.db2.gz WTRYIDXCUQWCGQ-XJKSGUPXSA-N 0 1 270.376 3.956 20 0 CHADMN COc1cccc2cc(CN3CC(CC(F)F)C3)oc21 ZINC000822520662 1131385036 /nfs/dbraw/zinc/38/50/36/1131385036.db2.gz KXFZNYNRBOVOLH-UHFFFAOYSA-N 0 1 281.302 3.528 20 0 CHADMN COc1ccc2c(c1)OCC[C@H]2NCc1csc(C)c1 ZINC000648461191 1129606863 /nfs/dbraw/zinc/60/68/63/1129606863.db2.gz WDRKWCVKHGPIOC-OAHLLOKOSA-N 0 1 289.400 3.679 20 0 CHADMN Cc1cc([C@@H](C)NCc2nn(C)c3ccccc23)ccc1F ZINC000648635504 1129617139 /nfs/dbraw/zinc/61/71/39/1129617139.db2.gz FPIXNNSSTOXDPZ-CYBMUJFWSA-N 0 1 297.377 3.872 20 0 CHADMN Cc1ccccc1CCN(C)Cc1nc2c(s1)CCC2 ZINC000648637672 1129617350 /nfs/dbraw/zinc/61/73/50/1129617350.db2.gz KANDYPFQIQCLQK-UHFFFAOYSA-N 0 1 286.444 3.615 20 0 CHADMN Cc1cnc(C2CCN(CCC(=O)CC(C)C)CC2)s1 ZINC000828434284 1131386044 /nfs/dbraw/zinc/38/60/44/1131386044.db2.gz SXUSOMJOUJHFSJ-UHFFFAOYSA-N 0 1 294.464 3.636 20 0 CHADMN CC[C@@H](C)[C@H](CNCc1csc(-c2ccco2)n1)OC ZINC000648658400 1129618443 /nfs/dbraw/zinc/61/84/43/1129618443.db2.gz DLDZQVJGMYWRKM-RISCZKNCSA-N 0 1 294.420 3.554 20 0 CHADMN CC(C)CN(Cn1ncn(C2CC2)c1=S)C1CCCC1 ZINC000746056057 1129624248 /nfs/dbraw/zinc/62/42/48/1129624248.db2.gz QXAPEGYQUYMGML-UHFFFAOYSA-N 0 1 294.468 3.607 20 0 CHADMN COc1cc(Cl)ccc1-c1ccc2cncn2c1 ZINC001241896925 1129629814 /nfs/dbraw/zinc/62/98/14/1129629814.db2.gz XWYMBTYOKNWMHQ-UHFFFAOYSA-N 0 1 258.708 3.663 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCCC[C@@H]2C2CCC2)[nH]1 ZINC000649196431 1129636787 /nfs/dbraw/zinc/63/67/87/1129636787.db2.gz MHYUUJHMFFLPOE-MRXNPFEDSA-N 0 1 297.402 3.666 20 0 CHADMN CCCOc1cccc(CN2CC[C@H](C(F)(F)F)C2)c1 ZINC000649399910 1129643142 /nfs/dbraw/zinc/64/31/42/1129643142.db2.gz PYPQQMYHGWNATR-ZDUSSCGKSA-N 0 1 287.325 3.860 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H](C(F)(F)F)C2)c1 ZINC000649399899 1129643363 /nfs/dbraw/zinc/64/33/63/1129643363.db2.gz KHMUUCBVWKSUJY-LLVKDONJSA-N 0 1 261.262 3.518 20 0 CHADMN CN(C)Cc1ccc(-c2ccc3c(c2)COC3)cc1F ZINC000649438040 1129648648 /nfs/dbraw/zinc/64/86/48/1129648648.db2.gz QNZXZFRNTVNSOT-UHFFFAOYSA-N 0 1 271.335 3.585 20 0 CHADMN ClC1(Cl)C[C@H]1CCN1CCc2sccc2C1 ZINC000822569889 1131388410 /nfs/dbraw/zinc/38/84/10/1131388410.db2.gz CXOPNDSPZYLJCP-SNVBAGLBSA-N 0 1 276.232 3.690 20 0 CHADMN Cc1cccc(CN[C@H]2C[C@H](C)c3ccccc32)n1 ZINC000388645385 1129655474 /nfs/dbraw/zinc/65/54/74/1129655474.db2.gz YMFJBGAQPLYHRI-SJCJKPOMSA-N 0 1 252.361 3.728 20 0 CHADMN Cc1cccc(CN[C@@H]2C[C@@H](C)c3ccccc32)n1 ZINC000388645388 1129655897 /nfs/dbraw/zinc/65/58/97/1129655897.db2.gz YMFJBGAQPLYHRI-SJKOYZFVSA-N 0 1 252.361 3.728 20 0 CHADMN c1csc([C@H](NCc2cc3n(n2)CCCC3)C2CC2)c1 ZINC000649573519 1129658992 /nfs/dbraw/zinc/65/89/92/1129658992.db2.gz GPDUXHDTIKRKNS-MRXNPFEDSA-N 0 1 287.432 3.522 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cc2n(n1)CCCC2)C1CC1 ZINC000649577399 1129659103 /nfs/dbraw/zinc/65/91/03/1129659103.db2.gz IAEIIRHDYGWYLE-IBGZPJMESA-N 0 1 295.430 3.769 20 0 CHADMN CC(C)n1ccn(CN2CC[C@@H](C)[C@H](C)C2)c1=S ZINC000766379225 1129660756 /nfs/dbraw/zinc/66/07/56/1129660756.db2.gz BNJZRUQPFBIVQY-CHWSQXEVSA-N 0 1 267.442 3.535 20 0 CHADMN C[C@H](NCCCC(=O)OC(C)(C)C)c1cccnc1Cl ZINC000766380617 1129660926 /nfs/dbraw/zinc/66/09/26/1129660926.db2.gz GJIDJLQSKKDCEU-NSHDSACASA-N 0 1 298.814 3.508 20 0 CHADMN CC(C)n1ccn(CN2CC[C@@H](C)[C@@H](C)C2)c1=S ZINC000766379226 1129661073 /nfs/dbraw/zinc/66/10/73/1129661073.db2.gz BNJZRUQPFBIVQY-OLZOCXBDSA-N 0 1 267.442 3.535 20 0 CHADMN CC[C@@H](OCCN(C)Cc1cnccc1C)c1ccccc1 ZINC000649595826 1129661427 /nfs/dbraw/zinc/66/14/27/1129661427.db2.gz ABLBXDPPWZVNMI-LJQANCHMSA-N 0 1 298.430 3.990 20 0 CHADMN C[C@H](CSc1ccccc1)N(C)Cc1cncc(F)c1 ZINC000649665499 1129668532 /nfs/dbraw/zinc/66/85/32/1129668532.db2.gz MZASHCHHWVNKHP-CYBMUJFWSA-N 0 1 290.407 3.833 20 0 CHADMN CC(C)O[C@@H]1CCCN([C@H](C)c2nc3ccccc3o2)C1 ZINC000649702727 1129671549 /nfs/dbraw/zinc/67/15/49/1129671549.db2.gz LRXYGCSQSHMMFM-ZIAGYGMSSA-N 0 1 288.391 3.778 20 0 CHADMN CCc1ccc(N(CC(C)C)C(=O)c2[nH]cnc2C)cc1 ZINC000822589609 1131390841 /nfs/dbraw/zinc/39/08/41/1131390841.db2.gz BQFOLPZMSCIKKQ-UHFFFAOYSA-N 0 1 285.391 3.583 20 0 CHADMN CC[C@H](N[C@@H](C)C(=O)NC(C)(C)CC)c1ccccc1F ZINC000649738613 1129673559 /nfs/dbraw/zinc/67/35/59/1129673559.db2.gz OOEBNPCQIJOKJT-WFASDCNBSA-N 0 1 294.414 3.560 20 0 CHADMN CCc1nocc1CN[C@@H](CC)c1ccc(C)c(F)c1 ZINC001168826012 1129674279 /nfs/dbraw/zinc/67/42/79/1129674279.db2.gz NKSIDRSWKYTCEG-HNNXBMFYSA-N 0 1 276.355 3.925 20 0 CHADMN Cc1cc(CN2CCc3ccc(Cl)cc3[C@@H](C)C2)on1 ZINC000649747181 1129674662 /nfs/dbraw/zinc/67/46/62/1129674662.db2.gz RZIUOKSUVHHBOH-NSHDSACASA-N 0 1 290.794 3.798 20 0 CHADMN Fc1ccc(CN2CCC3(CC3(F)F)CC2)cc1F ZINC000649775381 1129677105 /nfs/dbraw/zinc/67/71/05/1129677105.db2.gz GALOUMHQZLZNCC-UHFFFAOYSA-N 0 1 273.273 3.586 20 0 CHADMN CC(C)c1nc(CNC2(C3CCC3)CC2)cs1 ZINC000649808199 1129679073 /nfs/dbraw/zinc/67/90/73/1129679073.db2.gz VJTPAIJWFHLSKZ-UHFFFAOYSA-N 0 1 250.411 3.689 20 0 CHADMN C[C@H](NC1(C2CCC2)CC1)c1nc(-c2cccs2)no1 ZINC000649807957 1129679131 /nfs/dbraw/zinc/67/91/31/1129679131.db2.gz LOYQMNCWNWEMRX-JTQLQIEISA-N 0 1 289.404 3.781 20 0 CHADMN c1csc(-c2cnc(CNC3(C4CCC4)CC3)o2)c1 ZINC000649807896 1129679381 /nfs/dbraw/zinc/67/93/81/1129679381.db2.gz JCZANRKITBJBRS-UHFFFAOYSA-N 0 1 274.389 3.825 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)N1CCN(C)[C@H](C)C1 ZINC001168910929 1129683613 /nfs/dbraw/zinc/68/36/13/1129683613.db2.gz LEKLQRRGFGCUEC-GHMZBOCLSA-N 0 1 287.234 3.690 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CC[C@@]2(CC2(F)F)C1 ZINC000649902863 1129685752 /nfs/dbraw/zinc/68/57/52/1129685752.db2.gz GNRCFJLCBLIDOZ-TVQRCGJNSA-N 0 1 273.273 3.757 20 0 CHADMN CCc1ccccc1CN(C)Cc1ccc(C)cn1 ZINC000649903965 1129685763 /nfs/dbraw/zinc/68/57/63/1129685763.db2.gz DTBJEBRIDZTCBV-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN c1ccc([C@@H]2C[C@H]3[C@H](CCCN3Cc3cccnc3)O2)cc1 ZINC000649918112 1129687328 /nfs/dbraw/zinc/68/73/28/1129687328.db2.gz MVXZCMQNRQVODH-FHWLQOOXSA-N 0 1 294.398 3.576 20 0 CHADMN Fc1cc(-c2cccnc2)cc(F)c1CN1CCCC1 ZINC001239570979 1131391511 /nfs/dbraw/zinc/39/15/11/1131391511.db2.gz MVTUYERWJFYCOD-UHFFFAOYSA-N 0 1 274.314 3.623 20 0 CHADMN C[C@H](C(=O)Nc1cccc(F)c1)N1CC[C@H](C)C(C)(C)C1 ZINC001169091513 1129700581 /nfs/dbraw/zinc/70/05/81/1129700581.db2.gz PAFUESSJCOBKPX-QWHCGFSZSA-N 0 1 292.398 3.521 20 0 CHADMN COC(=O)[C@H]1CCCCCN1CC/C=C\c1ccccc1 ZINC001169153644 1129705435 /nfs/dbraw/zinc/70/54/35/1129705435.db2.gz QGHICDLWBRGRQS-UUKWBXHYSA-N 0 1 287.403 3.508 20 0 CHADMN Clc1cncc(Cl)c1CNc1ccc2nc[nH]c2c1 ZINC001169187032 1129706410 /nfs/dbraw/zinc/70/64/10/1129706410.db2.gz ZACZJPROGXKNLL-UHFFFAOYSA-N 0 1 293.157 3.877 20 0 CHADMN FC(F)(F)c1cnccc1N[C@H]1CCCC(F)(F)C1 ZINC001169219596 1129709986 /nfs/dbraw/zinc/70/99/86/1129709986.db2.gz VMEJPOZTVRKVNU-QMMMGPOBSA-N 0 1 280.240 3.512 20 0 CHADMN Fc1ccc2[nH]c3c(c2c1)CN(CC1CC=CC1)CC3 ZINC001169226808 1129710713 /nfs/dbraw/zinc/71/07/13/1129710713.db2.gz VAPSNRUTCXWCEC-UHFFFAOYSA-N 0 1 270.351 3.631 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Cl)c(F)c2)C2(CC2)C1 ZINC001137654311 1131392952 /nfs/dbraw/zinc/39/29/52/1131392952.db2.gz JZXVKCSRAVRDAL-JTQLQIEISA-N 0 1 253.748 3.854 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(-c2ccc(C)cc2)c1 ZINC000650806612 1129722571 /nfs/dbraw/zinc/72/25/71/1129722571.db2.gz DZPDGPSSRHMHFS-SFHVURJKSA-N 0 1 297.398 3.957 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNC2(C)CC(F)(F)C2)o1 ZINC000720949040 1129723950 /nfs/dbraw/zinc/72/39/50/1129723950.db2.gz HZFBAOUHMZLLKR-ONGXEEELSA-N 0 1 255.308 3.680 20 0 CHADMN C[C@@H](CNc1cnccc1/C=C/N(C)C)c1ccc(O)cc1 ZINC001169543409 1129732265 /nfs/dbraw/zinc/73/22/65/1129732265.db2.gz WFAVEDLGYKVKEB-MARXPDLDSA-N 0 1 297.402 3.535 20 0 CHADMN Cc1cc2nccn2cc1NC[C@H](C)c1ccc(O)cc1 ZINC001169538405 1129734385 /nfs/dbraw/zinc/73/43/85/1129734385.db2.gz IQDSCOTZOFFCEB-ZDUSSCGKSA-N 0 1 281.359 3.564 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Br)cc2)C[C@@H]1C ZINC000135206401 1129738307 /nfs/dbraw/zinc/73/83/07/1129738307.db2.gz LQOVUYYBAPECSG-NEPJUHHUSA-N 0 1 282.225 3.927 20 0 CHADMN CC(C)O[C@@H]1CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000651386855 1129738788 /nfs/dbraw/zinc/73/87/88/1129738788.db2.gz ZOUDWOUQSYSTMX-CQSZACIVSA-N 0 1 288.366 3.768 20 0 CHADMN Cc1nc2cncc(NCCc3coc4ccccc34)c2[nH]1 ZINC001169599093 1129739653 /nfs/dbraw/zinc/73/96/53/1129739653.db2.gz ZRSOOEZPXHHALC-UHFFFAOYSA-N 0 1 292.342 3.667 20 0 CHADMN COc1cccnc1CN[C@@H]1c2ccccc2CC[C@@H]1C ZINC000651475346 1129740628 /nfs/dbraw/zinc/74/06/28/1129740628.db2.gz LYRRWOSRNFWFPZ-UGSOOPFHSA-N 0 1 282.387 3.503 20 0 CHADMN CCOCc1ccccc1CNCc1cc2cnccc2o1 ZINC000651672337 1129743455 /nfs/dbraw/zinc/74/34/55/1129743455.db2.gz XWZRABOPBLUEBH-UHFFFAOYSA-N 0 1 296.370 3.654 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc3c2CCC3)nc1 ZINC000651784108 1129747933 /nfs/dbraw/zinc/74/79/33/1129747933.db2.gz CANVCSIXQYBCKZ-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN C[C@H]1CN(Cc2ccc(Cl)cc2F)C2(CC2)C1 ZINC001137661301 1131394939 /nfs/dbraw/zinc/39/49/39/1131394939.db2.gz NZFSPWCIHLMPQQ-SNVBAGLBSA-N 0 1 253.748 3.854 20 0 CHADMN Cc1ccccc1[C@@]1(F)CCN(C[C@H](O)CCC(C)C)C1 ZINC001169715661 1129750009 /nfs/dbraw/zinc/75/00/09/1129750009.db2.gz MYBCQVKZRLZJCY-SJLPKXTDSA-N 0 1 293.426 3.663 20 0 CHADMN CC[C@H]1COC(C)(C)CN1Cc1cc2ccccc2[nH]1 ZINC000651912001 1129751309 /nfs/dbraw/zinc/75/13/09/1129751309.db2.gz HIQIPBCEXAJMBC-HNNXBMFYSA-N 0 1 272.392 3.557 20 0 CHADMN CC[C@H](OCCNCc1ncc(C)s1)c1ccccc1 ZINC000651908463 1129751352 /nfs/dbraw/zinc/75/13/52/1129751352.db2.gz FJZTYHMZMZMVPB-HNNXBMFYSA-N 0 1 290.432 3.709 20 0 CHADMN CN(C)c1ccccc1CN1CC[C@](F)(c2ccccc2)C1 ZINC001169746334 1129752037 /nfs/dbraw/zinc/75/20/37/1129752037.db2.gz XYGGFNQDUKYOJR-LJQANCHMSA-N 0 1 298.405 3.823 20 0 CHADMN C[C@@H](COCC1CC1)NCc1cc(Cl)sc1Cl ZINC000651984236 1129755576 /nfs/dbraw/zinc/75/55/76/1129755576.db2.gz XINHXWHOAJBOHJ-QMMMGPOBSA-N 0 1 294.247 3.960 20 0 CHADMN FC1(F)C[C@@]12CC[N@@H+](Cc1ccccc1OCC1CC1)C2 ZINC000652063270 1129756819 /nfs/dbraw/zinc/75/68/19/1129756819.db2.gz HRQJWCRMNLCUMC-MRXNPFEDSA-N 0 1 293.357 3.707 20 0 CHADMN CC(C)Cc1ncc(CN2CC[C@]3(CC3(F)F)C2)s1 ZINC000652062993 1129757003 /nfs/dbraw/zinc/75/70/03/1129757003.db2.gz AOYNFBVOVFVJHC-ZDUSSCGKSA-N 0 1 286.391 3.573 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000652163414 1129759084 /nfs/dbraw/zinc/75/90/84/1129759084.db2.gz NFRYZWDOCZJTHW-KXUCPTDWSA-N 0 1 295.741 3.726 20 0 CHADMN COCC1(N[C@@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000652179061 1129759417 /nfs/dbraw/zinc/75/94/17/1129759417.db2.gz CXFLHVWJWGYNTP-AWEZNQCLSA-N 0 1 282.387 3.578 20 0 CHADMN Cc1ncc(CN[C@H](CC(C)C)c2ccc(F)cc2)o1 ZINC000652208714 1129759654 /nfs/dbraw/zinc/75/96/54/1129759654.db2.gz NDZFZOJBTWYLDR-MRXNPFEDSA-N 0 1 276.355 3.999 20 0 CHADMN CC[C@H](NCc1cccc2ccsc21)c1ccn(C)n1 ZINC000652219663 1129760271 /nfs/dbraw/zinc/76/02/71/1129760271.db2.gz HUUBBUJHACAVPU-AWEZNQCLSA-N 0 1 285.416 3.876 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCN1[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001169878701 1129760753 /nfs/dbraw/zinc/76/07/53/1129760753.db2.gz ACQQEMPTVWENKI-JXJLXUTGSA-N 0 1 287.300 3.954 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C[C@H]1C ZINC000652418358 1129764736 /nfs/dbraw/zinc/76/47/36/1129764736.db2.gz HXNOZHBCZGBUNH-WDEREUQCSA-N 0 1 281.783 3.516 20 0 CHADMN O=C([O-])c1ccccc1CC[N@@H+](C1CC1)C1CCCCC1 ZINC000652400948 1129764883 /nfs/dbraw/zinc/76/48/83/1129764883.db2.gz BNTHXABFZXOUOW-UHFFFAOYSA-N 0 1 287.403 3.724 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C)CC1 ZINC000652421205 1129764921 /nfs/dbraw/zinc/76/49/21/1129764921.db2.gz GGHWDINRKIYORC-GDBMZVCRSA-N 0 1 275.392 3.633 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2C)CC1 ZINC000652421207 1129765158 /nfs/dbraw/zinc/76/51/58/1129765158.db2.gz GGHWDINRKIYORC-HOCLYGCPSA-N 0 1 275.392 3.633 20 0 CHADMN C[C@@]1(CNc2ccc3cnccc3c2)CCCS1 ZINC000653467329 1129780318 /nfs/dbraw/zinc/78/03/18/1129780318.db2.gz LAPSIPPBOSFTNJ-HNNXBMFYSA-N 0 1 258.390 3.932 20 0 CHADMN Cc1cccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1F ZINC001137676374 1131397260 /nfs/dbraw/zinc/39/72/60/1131397260.db2.gz TVQHJSVPEPUVBV-KRWDZBQOSA-N 0 1 285.362 3.787 20 0 CHADMN CCCCN(CCC(=O)C1CC1)Cc1ccccc1F ZINC000767351984 1129787171 /nfs/dbraw/zinc/78/71/71/1129787171.db2.gz DJJDNKZPGMVYOP-UHFFFAOYSA-N 0 1 277.383 3.797 20 0 CHADMN Cc1cc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)c(C)o1 ZINC000767364879 1129789186 /nfs/dbraw/zinc/78/91/86/1129789186.db2.gz VONDPQOOWKFQJM-ROUUACIJSA-N 0 1 285.387 3.906 20 0 CHADMN CCOC(CN1[C@H](C)Cc2cc(F)ccc2[C@@H]1C)OCC ZINC000767823001 1129816461 /nfs/dbraw/zinc/81/64/61/1129816461.db2.gz PVDRTLJJSPKQFY-OLZOCXBDSA-N 0 1 295.398 3.532 20 0 CHADMN C[C@@H]1Cc2ccccc2N1C1CCN(C/C=C\Cl)CC1 ZINC000767889972 1129817974 /nfs/dbraw/zinc/81/79/74/1129817974.db2.gz NYGJLFWQXKUSRS-RXTQTKKPSA-N 0 1 290.838 3.655 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1nnc(C(C)(C)C)o1 ZINC000767907301 1129820698 /nfs/dbraw/zinc/82/06/98/1129820698.db2.gz UQWRDKQCZGNDHJ-ZDUSSCGKSA-N 0 1 279.428 3.912 20 0 CHADMN CC[C@H](C)[C@H](CN[C@@H](C)c1c(F)cccc1F)OC ZINC000381261589 1129836131 /nfs/dbraw/zinc/83/61/31/1129836131.db2.gz FAPGHVJFJJBRIW-MJVIPROJSA-N 0 1 271.351 3.677 20 0 CHADMN FC(F)Oc1ccc(-c2cccc3nc[nH]c32)cc1 ZINC001242439041 1129837412 /nfs/dbraw/zinc/83/74/12/1129837412.db2.gz FHMGGTWTLUYIAH-UHFFFAOYSA-N 0 1 260.243 3.831 20 0 CHADMN COc1cccc(CN(C)Cc2cnc(Cl)c(C)c2)c1 ZINC000768163364 1129837587 /nfs/dbraw/zinc/83/75/87/1129837587.db2.gz NHPAYNLPOBDLMK-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN C[C@@H](N[C@H]1CCc2c1cccc2O)c1ccc(C#N)c(F)c1 ZINC000271952678 1129838643 /nfs/dbraw/zinc/83/86/43/1129838643.db2.gz PBKGOWQTAYURRB-DIFFPNOSSA-N 0 1 296.345 3.741 20 0 CHADMN COc1ccc(CN2Cc3ccccc3[C@H](C)C2)cc1O ZINC000768198020 1129839368 /nfs/dbraw/zinc/83/93/68/1129839368.db2.gz ZFKWJZUQNNSOFS-CYBMUJFWSA-N 0 1 283.371 3.520 20 0 CHADMN CCC(CC)CN(C)CC(=O)Nc1ccccc1Cl ZINC000768170719 1129839682 /nfs/dbraw/zinc/83/96/82/1129839682.db2.gz UYYGMNSFTYCJPD-UHFFFAOYSA-N 0 1 282.815 3.647 20 0 CHADMN CCC(CC)[C@H](O)CNCc1c(Cl)cccc1Cl ZINC000225819292 1129844076 /nfs/dbraw/zinc/84/40/76/1129844076.db2.gz YZMBAHQMNLBUSH-CQSZACIVSA-N 0 1 290.234 3.880 20 0 CHADMN FC(F)(F)c1ccc(OC2CN(CC3CCC3)C2)cc1 ZINC001202792697 1129844222 /nfs/dbraw/zinc/84/42/22/1129844222.db2.gz PHTSTUGPLKGHQY-UHFFFAOYSA-N 0 1 285.309 3.569 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(Cl)nc2)s1 ZINC000768237561 1129846251 /nfs/dbraw/zinc/84/62/51/1129846251.db2.gz QCXCESAJAOEVQV-UHFFFAOYSA-N 0 1 280.824 3.991 20 0 CHADMN Cc1cncc([C@H](C)Nc2ccc(CN(C)C)c(F)c2)c1 ZINC000768254571 1129846478 /nfs/dbraw/zinc/84/64/78/1129846478.db2.gz WVLNGFGUHIDWCO-ZDUSSCGKSA-N 0 1 287.382 3.764 20 0 CHADMN Cc1csc([C@@H](C)NC[C@@]2(C)CC2(Cl)Cl)n1 ZINC000828816162 1131402187 /nfs/dbraw/zinc/40/21/87/1131402187.db2.gz LGXPRTCTEIGQHK-PSASIEDQSA-N 0 1 279.236 3.686 20 0 CHADMN CCN(Cc1c[nH]nc1C)Cc1ccc(C(F)(F)F)cc1 ZINC000768511671 1129859335 /nfs/dbraw/zinc/85/93/35/1129859335.db2.gz ACOOSGPHJLVWEP-UHFFFAOYSA-N 0 1 297.324 3.759 20 0 CHADMN CCc1ccc(CNCc2cc(C)cc(Cl)n2)s1 ZINC000800282173 1129863448 /nfs/dbraw/zinc/86/34/48/1129863448.db2.gz HXELRZLPSBRFQX-UHFFFAOYSA-N 0 1 280.824 3.957 20 0 CHADMN C[C@@H](N(C)Cc1c(Cl)nc2ccccn21)C(C)(C)C ZINC000768543404 1129864116 /nfs/dbraw/zinc/86/41/16/1129864116.db2.gz JCYYUCJBLWQDDM-LLVKDONJSA-N 0 1 279.815 3.854 20 0 CHADMN CC(Cl)=CC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000900106738 1129864947 /nfs/dbraw/zinc/86/49/47/1129864947.db2.gz UBEWWSGYAUZHOI-PLWJUESGSA-N 0 1 291.782 3.519 20 0 CHADMN CC1(C)CC(N2CCCCC(F)(F)C2)CC(C)(C)N1O ZINC001169993997 1129865258 /nfs/dbraw/zinc/86/52/58/1129865258.db2.gz VWXWPWPDEUFPND-UHFFFAOYSA-N 0 1 290.398 3.518 20 0 CHADMN CSc1ccccc1[C@H](C)OC(=O)[C@@H](C(C)C)N(C)C ZINC000800414053 1129871853 /nfs/dbraw/zinc/87/18/53/1129871853.db2.gz RYWZQMNWPSHHSN-SWLSCSKDSA-N 0 1 295.448 3.599 20 0 CHADMN CCN(CCc1cccs1)Cc1coc(C2CC2)n1 ZINC000768758316 1129872572 /nfs/dbraw/zinc/87/25/72/1129872572.db2.gz NMMAYJMERLNXFD-UHFFFAOYSA-N 0 1 276.405 3.678 20 0 CHADMN c1nc2cnccn2c1CN1CCC(C2CCCCC2)CC1 ZINC000768772310 1129873080 /nfs/dbraw/zinc/87/30/80/1129873080.db2.gz QPDZYNOKROBECC-UHFFFAOYSA-N 0 1 298.434 3.522 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2cc(C)n(C)n2)s1 ZINC000800476565 1129876432 /nfs/dbraw/zinc/87/64/32/1129876432.db2.gz LHRZFSWERNRSGQ-NEPJUHHUSA-N 0 1 263.410 3.510 20 0 CHADMN CCc1cccc(C)c1NC(=O)[C@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC000900305582 1129876769 /nfs/dbraw/zinc/87/67/69/1129876769.db2.gz QBYJTPNUVQMTLD-NHYWBVRUSA-N 0 1 297.402 3.585 20 0 CHADMN Cc1cc([C@H](C)NC[C@H](O)c2c(F)cccc2F)oc1C ZINC000800482127 1129877476 /nfs/dbraw/zinc/87/74/76/1129877476.db2.gz OSNIYNVJDOEJFY-HZMBPMFUSA-N 0 1 295.329 3.559 20 0 CHADMN CC(C)N(Cc1cn([C@H](C)c2ccccc2)nn1)C(C)C ZINC000900506883 1129885213 /nfs/dbraw/zinc/88/52/13/1129885213.db2.gz FXOZYWJIUDICSD-OAHLLOKOSA-N 0 1 286.423 3.506 20 0 CHADMN CCCCN(C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21)[C@H](C)CC ZINC000900631587 1129888580 /nfs/dbraw/zinc/88/85/80/1129888580.db2.gz OTHAECODAXMCDP-UMVBOHGHSA-N 0 1 291.439 3.503 20 0 CHADMN Clc1nc2ccccn2c1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000769101765 1129890905 /nfs/dbraw/zinc/89/09/05/1129890905.db2.gz GTUVOFAFTLPASQ-STQMWFEESA-N 0 1 289.810 3.752 20 0 CHADMN Brc1ccoc1CN1CC[C@@H](c2ccco2)C1 ZINC000769387756 1129905291 /nfs/dbraw/zinc/90/52/91/1129905291.db2.gz AYPSLVCUEHJMIA-SNVBAGLBSA-N 0 1 296.164 3.625 20 0 CHADMN CCCCn1nc(C)c(CN2CCC(C)(C)C2)c1Cl ZINC000769399516 1129905985 /nfs/dbraw/zinc/90/59/85/1129905985.db2.gz SUTNCXQGWVUMMB-UHFFFAOYSA-N 0 1 283.847 3.877 20 0 CHADMN CCCCN(C(=O)c1cc(C(F)F)n[nH]1)c1ccccc1 ZINC000900982617 1129906742 /nfs/dbraw/zinc/90/67/42/1129906742.db2.gz WLSHATDIAAYXFK-UHFFFAOYSA-N 0 1 293.317 3.794 20 0 CHADMN Cn1ccc(CN2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000769426519 1129908526 /nfs/dbraw/zinc/90/85/26/1129908526.db2.gz FBWDLTRSGXZZBR-MRXNPFEDSA-N 0 1 276.330 3.640 20 0 CHADMN CCOc1cc(C)ccc1CNCc1cc(C)nc(C)c1 ZINC001461337514 1129910786 /nfs/dbraw/zinc/91/07/86/1129910786.db2.gz AAXCJZYHAWNVEG-UHFFFAOYSA-N 0 1 284.403 3.695 20 0 CHADMN CC[C@H]1C[C@H](C)CN1Cc1occc1Br ZINC000769447767 1129911321 /nfs/dbraw/zinc/91/13/21/1129911321.db2.gz LAXYEHHMHROYPJ-UWVGGRQHSA-N 0 1 272.186 3.663 20 0 CHADMN C[C@H]1SCCN(Cc2ccoc2)[C@@H]1c1ccccc1 ZINC000769464496 1129911849 /nfs/dbraw/zinc/91/18/49/1129911849.db2.gz ZUUFJKKODGSQNJ-CJNGLKHVSA-N 0 1 273.401 3.958 20 0 CHADMN C[C@@H]1SCCN(Cc2ccoc2)[C@@H]1c1ccccc1 ZINC000769464492 1129911984 /nfs/dbraw/zinc/91/19/84/1129911984.db2.gz ZUUFJKKODGSQNJ-BBRMVZONSA-N 0 1 273.401 3.958 20 0 CHADMN Clc1nc2ccccn2c1CN1C2CCCC1CCC2 ZINC000769497797 1129914170 /nfs/dbraw/zinc/91/41/70/1129914170.db2.gz BINLJQUVWAEMAJ-UHFFFAOYSA-N 0 1 289.810 3.895 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1coc(C2CC2)n1 ZINC000769498784 1129914293 /nfs/dbraw/zinc/91/42/93/1129914293.db2.gz PXPMTWAVBYYZSU-DYVFJYSZSA-N 0 1 282.387 3.930 20 0 CHADMN CC[C@H](C)CN(CC)Cc1c(Cl)nc2ccccn21 ZINC000769537047 1129916523 /nfs/dbraw/zinc/91/65/23/1129916523.db2.gz HAEUGVDVBRIQRA-LBPRGKRZSA-N 0 1 279.815 3.856 20 0 CHADMN CCO[C@@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000901364646 1129916681 /nfs/dbraw/zinc/91/66/81/1129916681.db2.gz IGLJGTOJGKJPOI-GFCCVEGCSA-N 0 1 276.405 3.784 20 0 CHADMN CC[C@H]1CCCN1Cn1nc(Cl)c2ccccc21 ZINC000769649178 1129920054 /nfs/dbraw/zinc/92/00/54/1129920054.db2.gz OHLQSBWLMFGKRI-NSHDSACASA-N 0 1 263.772 3.522 20 0 CHADMN CC[N@@H+](Cc1ccc(/C=C\C(=O)[O-])o1)C1CCCCC1 ZINC000901416731 1129922701 /nfs/dbraw/zinc/92/27/01/1129922701.db2.gz INBKIFUMPIGQEU-KHPPLWFESA-N 0 1 277.364 3.532 20 0 CHADMN CC[N@@H+](CC(=O)[O-])Cc1cccc(-c2ccc(C)cc2)c1 ZINC000901426810 1129924068 /nfs/dbraw/zinc/92/40/68/1129924068.db2.gz SBRKPNWVRYYPBU-UHFFFAOYSA-N 0 1 283.371 3.569 20 0 CHADMN CC[N@H+](CC(=O)[O-])Cc1ccc(-c2ccccc2Cl)o1 ZINC000901426997 1129924493 /nfs/dbraw/zinc/92/44/93/1129924493.db2.gz XERNQJRKUCFOGR-UHFFFAOYSA-N 0 1 293.750 3.507 20 0 CHADMN CC[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccccc2Cl)o1 ZINC000901426997 1129924495 /nfs/dbraw/zinc/92/44/95/1129924495.db2.gz XERNQJRKUCFOGR-UHFFFAOYSA-N 0 1 293.750 3.507 20 0 CHADMN C[C@H]1C[C@H](C)N1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000822985687 1131408280 /nfs/dbraw/zinc/40/82/80/1131408280.db2.gz OUZZMJLNTBTHCJ-RVBZMBCESA-N 0 1 274.191 3.510 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1cccc(C)c1 ZINC000769867619 1129926859 /nfs/dbraw/zinc/92/68/59/1129926859.db2.gz LMBURHXPROKVFV-LBPRGKRZSA-N 0 1 258.365 3.705 20 0 CHADMN CC[C@H](C[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1)c1ccccc1 ZINC000901465920 1129927674 /nfs/dbraw/zinc/92/76/74/1129927674.db2.gz ZDIAKBBEPAICFX-QAPCUYQASA-N 0 1 289.419 3.613 20 0 CHADMN CCCc1cccc(C[N@H+]2CC[C@](C(=O)[O-])(C(C)C)C2)c1 ZINC000901465293 1129927740 /nfs/dbraw/zinc/92/77/40/1129927740.db2.gz VXLGEYJBBUAINL-GOSISDBHSA-N 0 1 289.419 3.572 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@@H]2N1CCO[C@H](C(F)F)C1 ZINC000801564229 1129927815 /nfs/dbraw/zinc/92/78/15/1129927815.db2.gz LVVJRZJCYRJWHT-GJZGRUSLSA-N 0 1 295.373 3.647 20 0 CHADMN CC1=C(c2ccco2)CN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000801601561 1129931642 /nfs/dbraw/zinc/93/16/42/1129931642.db2.gz ZKMGUIHCEDSEPM-LLVKDONJSA-N 0 1 286.202 3.953 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)C[C@@H]1CC1(Cl)Cl ZINC000769936405 1129933573 /nfs/dbraw/zinc/93/35/73/1129933573.db2.gz FKLKDBAULVDIDM-RYUDHWBXSA-N 0 1 273.207 3.658 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000901542610 1129935265 /nfs/dbraw/zinc/93/52/65/1129935265.db2.gz PNKOZQFCFBSPMA-CKEIUWERSA-N 0 1 281.440 3.636 20 0 CHADMN C/C(=C/c1ccccc1)C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000901553843 1129935766 /nfs/dbraw/zinc/93/57/66/1129935766.db2.gz QGHODSSTGRAKDT-MLRPBERTSA-N 0 1 287.403 3.667 20 0 CHADMN CC1=C[C@H](C)C[C@@H](C[N@@H+](CC(=O)[O-])Cc2ccccc2)C1 ZINC000901568994 1129937330 /nfs/dbraw/zinc/93/73/30/1129937330.db2.gz HCIZEPMYIXUEBJ-WMLDXEAASA-N 0 1 287.403 3.566 20 0 CHADMN CC(C)[C@@H]1CCN(Cc2occc2Br)C1 ZINC000770308048 1129944494 /nfs/dbraw/zinc/94/44/94/1129944494.db2.gz XWUQOKFUDRSTDT-SNVBAGLBSA-N 0 1 272.186 3.520 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000901627015 1129939234 /nfs/dbraw/zinc/93/92/34/1129939234.db2.gz FHYLYALBAHKTSE-WBAXXEDZSA-N 0 1 299.414 3.663 20 0 CHADMN C[C@@H]1CCC[C@H](C[N@@H+](CC(=O)[O-])Cc2ccc(F)cc2)C1 ZINC000901624426 1129939368 /nfs/dbraw/zinc/93/93/68/1129939368.db2.gz TZFKNLRNMVJLOV-HIFRSBDPSA-N 0 1 293.382 3.539 20 0 CHADMN C[C@@H]1CCCC[C@H]1C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000901645881 1129940689 /nfs/dbraw/zinc/94/06/89/1129940689.db2.gz GFQYKQRBPRPJQJ-OCCSQVGLSA-N 0 1 273.376 3.527 20 0 CHADMN CCC[C@H](C)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000901658751 1129942057 /nfs/dbraw/zinc/94/20/57/1129942057.db2.gz XVZFAKMJJLFSMY-LBPRGKRZSA-N 0 1 299.361 3.678 20 0 CHADMN CCCCn1nc(C)c(CN2CC[C@H](C)[C@@H]2C)c1Cl ZINC000770283723 1129942998 /nfs/dbraw/zinc/94/29/98/1129942998.db2.gz LAPWPWNZJHTHCN-AAEUAGOBSA-N 0 1 283.847 3.875 20 0 CHADMN Cc1cc(NCc2ccc3nc[nH]c3c2)ccc1N(C)C ZINC000770527418 1129950558 /nfs/dbraw/zinc/95/05/58/1129950558.db2.gz IYAGXQADVFJJKR-UHFFFAOYSA-N 0 1 280.375 3.549 20 0 CHADMN CC(C)C[N@@H+](C[C@@H]1CCC[C@H](C)C1)CC(C)(C)C(=O)[O-] ZINC000901837989 1129958547 /nfs/dbraw/zinc/95/85/47/1129958547.db2.gz FPFNCFKEJPBQEU-LSDHHAIUSA-N 0 1 283.456 3.882 20 0 CHADMN Cc1cc(C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-])ccc1F ZINC000901841171 1129959451 /nfs/dbraw/zinc/95/94/51/1129959451.db2.gz SIGQJOZGQWXFDJ-UHFFFAOYSA-N 0 1 295.398 3.703 20 0 CHADMN CC(C)(C)SCCN1CCO[C@@](C)(c2ccccc2)C1 ZINC000801927011 1129959867 /nfs/dbraw/zinc/95/98/67/1129959867.db2.gz FWKPSJCUJPEGPC-QGZVFWFLSA-N 0 1 293.476 3.766 20 0 CHADMN CC(C)(C)COC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000770853744 1129960031 /nfs/dbraw/zinc/96/00/31/1129960031.db2.gz UMWRJIGFLCFVCC-UHFFFAOYSA-N 0 1 299.374 3.552 20 0 CHADMN C[C@@H]1CN(CCSC(C)(C)C)[C@@H](c2ccccc2)CO1 ZINC000801925878 1129960217 /nfs/dbraw/zinc/96/02/17/1129960217.db2.gz SOSKAOCSGZHLLP-GDBMZVCRSA-N 0 1 293.476 3.980 20 0 CHADMN CC1=C(Br)CN(CCSC(C)(C)C)CC1 ZINC000801953544 1129963643 /nfs/dbraw/zinc/96/36/43/1129963643.db2.gz QLEXKUGAWOYKSC-UHFFFAOYSA-N 0 1 292.286 3.893 20 0 CHADMN Cc1cc(C)c(/C=C/C[N@@H+](CCC(=O)[O-])C2CC2)cc1C ZINC000901972001 1129968918 /nfs/dbraw/zinc/96/89/18/1129968918.db2.gz OHKPXSMSEUDCNO-SNAWJCMRSA-N 0 1 287.403 3.564 20 0 CHADMN C[N@@H+](CC1CCC(C)(C)CC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000901979897 1129968979 /nfs/dbraw/zinc/96/89/79/1129968979.db2.gz OHYISOCOZNYBCE-MRXNPFEDSA-N 0 1 289.419 3.961 20 0 CHADMN Cc1cc(C)c(/C=C\C[N@@H+](CCC(=O)[O-])C2CC2)cc1C ZINC000901972000 1129969102 /nfs/dbraw/zinc/96/91/02/1129969102.db2.gz OHKPXSMSEUDCNO-PLNGDYQASA-N 0 1 287.403 3.564 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000901978001 1129969139 /nfs/dbraw/zinc/96/91/39/1129969139.db2.gz CQIDQNQILLPCKV-SJLPKXTDSA-N 0 1 289.419 3.682 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)s2)[C@@H](C(=O)[O-])C1 ZINC000902010873 1129970952 /nfs/dbraw/zinc/97/09/52/1129970952.db2.gz DPWUGEJZTFSGRC-WCQYABFASA-N 0 1 295.448 3.731 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000902006510 1129971023 /nfs/dbraw/zinc/97/10/23/1129971023.db2.gz GFFSSYMXXRIMSI-QAETUUGQSA-N 0 1 293.451 3.944 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000902011090 1129971059 /nfs/dbraw/zinc/97/10/59/1129971059.db2.gz KIKKYFPCBTURQF-XBVQOTNRSA-N 0 1 293.451 3.778 20 0 CHADMN Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3CC(=O)[O-])o2)cc1 ZINC000902010100 1129971288 /nfs/dbraw/zinc/97/12/88/1129971288.db2.gz ONTXSFZORSLPHA-OAHLLOKOSA-N 0 1 299.370 3.694 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)[C@H](C)CCc1cccc(F)c1 ZINC000902018265 1129972058 /nfs/dbraw/zinc/97/20/58/1129972058.db2.gz CDHCVLQGTWVLOQ-CJNGLKHVSA-N 0 1 295.398 3.578 20 0 CHADMN Cc1c(Cl)cccc1C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000902020506 1129972080 /nfs/dbraw/zinc/97/20/80/1129972080.db2.gz NYWFXYVIIRDILZ-AWEZNQCLSA-N 0 1 283.799 3.580 20 0 CHADMN CCn1cnc(CN[C@@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000902036275 1129973608 /nfs/dbraw/zinc/97/36/08/1129973608.db2.gz HFWKVPMRKOQKPB-AWEZNQCLSA-N 0 1 283.419 3.633 20 0 CHADMN CCC(CC)C[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000902046523 1129974410 /nfs/dbraw/zinc/97/44/10/1129974410.db2.gz JDAPYXOBCUORPA-HOTGVXAUSA-N 0 1 275.392 3.713 20 0 CHADMN CCNc1ccccc1CNCc1ccc(OC(C)C)nc1 ZINC000902077884 1129977244 /nfs/dbraw/zinc/97/72/44/1129977244.db2.gz UNOIUZKFBOVANS-UHFFFAOYSA-N 0 1 299.418 3.590 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)C1 ZINC000902136956 1129983056 /nfs/dbraw/zinc/98/30/56/1129983056.db2.gz XIAPYYXQTNRJRH-ZDUSSCGKSA-N 0 1 298.386 3.555 20 0 CHADMN C[C@H]1CCN(Cc2ccnc(Cl)c2)CC12CCC2 ZINC000771465904 1129983255 /nfs/dbraw/zinc/98/32/55/1129983255.db2.gz YKASQSTZCPSVHI-LBPRGKRZSA-N 0 1 264.800 3.747 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC000902260334 1129994246 /nfs/dbraw/zinc/99/42/46/1129994246.db2.gz WNARRMSZOPZFNF-NPQIQWPPSA-N 0 1 291.391 3.636 20 0 CHADMN CCc1ccc(N(CC)C(=O)c2c(O)cccc2F)cc1 ZINC000771974488 1129999027 /nfs/dbraw/zinc/99/90/27/1129999027.db2.gz NESFIKDAHGOYOC-UHFFFAOYSA-N 0 1 287.334 3.760 20 0 CHADMN C/C(=C/C(C)(C)C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000771970634 1129999153 /nfs/dbraw/zinc/99/91/53/1129999153.db2.gz ZGJZEBMZANNVKD-KTKRTIGZSA-N 0 1 271.364 3.802 20 0 CHADMN Cc1cn[nH]c1CSCC[C@@H]1CC1(Cl)Cl ZINC000902409091 1130007513 /nfs/dbraw/zinc/00/75/13/1130007513.db2.gz BHLBYGJFUFMQIG-MRVPVSSYSA-N 0 1 265.209 3.535 20 0 CHADMN CC(C)(C)c1ccc(-c2[nH]ccc3ncnc2-3)cc1 ZINC001239605561 1130008496 /nfs/dbraw/zinc/00/84/96/1130008496.db2.gz JHLWCSNYPFPAST-UHFFFAOYSA-N 0 1 251.333 3.922 20 0 CHADMN CC(C)(C)c1ccc(-c2nccc3[nH]cnc32)cc1 ZINC001239605561 1130008502 /nfs/dbraw/zinc/00/85/02/1130008502.db2.gz JHLWCSNYPFPAST-UHFFFAOYSA-N 0 1 251.333 3.922 20 0 CHADMN Cc1cn[nH]c1CSCc1cccnc1C(F)(F)F ZINC000902432376 1130010314 /nfs/dbraw/zinc/01/03/14/1130010314.db2.gz OXWCCHFIZHOJGK-UHFFFAOYSA-N 0 1 287.310 3.565 20 0 CHADMN FC(F)(F)c1nc2cccc(-c3ccncc3)c2[nH]1 ZINC001239612046 1130011138 /nfs/dbraw/zinc/01/11/38/1130011138.db2.gz BGACINIDHKGQTD-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000902452279 1130012211 /nfs/dbraw/zinc/01/22/11/1130012211.db2.gz ZECLVOJRLHZAKC-XEHSLEBBSA-N 0 1 291.391 3.636 20 0 CHADMN CC1=CCC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000902451359 1130012919 /nfs/dbraw/zinc/01/29/19/1130012919.db2.gz QYOGDDKQUGUJPT-UHFFFAOYSA-N 0 1 297.354 3.797 20 0 CHADMN COc1ccc(-c2ccc3nc[nH]c3c2C)cc1OC ZINC001239616474 1130013464 /nfs/dbraw/zinc/01/34/64/1130013464.db2.gz CIFNWRGZMLHXTA-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)C[C@@H]2NCc1cccc(C)n1 ZINC000902756267 1130052334 /nfs/dbraw/zinc/05/23/34/1130052334.db2.gz DPVOJDLIGCHCST-DJJJIMSYSA-N 0 1 296.414 3.812 20 0 CHADMN COc1ccc(-c2nc(C)cc3[nH]ccc32)c(OC)c1 ZINC001239618956 1130014933 /nfs/dbraw/zinc/01/49/33/1130014933.db2.gz DNMWFCDVCVLNDU-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN CCn1cnc(CN[C@H]2c3ccccc3CCC[C@H]2C)c1 ZINC000902490740 1130016849 /nfs/dbraw/zinc/01/68/49/1130016849.db2.gz VDKSTLNMMFWUBE-RDTXWAMCSA-N 0 1 283.419 3.706 20 0 CHADMN CC(C)[N@H+](Cc1ccnc2c(C(=O)[O-])cccc12)CC1CC1 ZINC000902522697 1130019291 /nfs/dbraw/zinc/01/92/91/1130019291.db2.gz AJHCUXBXHSHJJZ-UHFFFAOYSA-N 0 1 298.386 3.553 20 0 CHADMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902528151 1130019377 /nfs/dbraw/zinc/01/93/77/1130019377.db2.gz MWGGUIQRPKKKIK-GXTWGEPZSA-N 0 1 298.386 3.696 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902523437 1130020493 /nfs/dbraw/zinc/02/04/93/1130020493.db2.gz KIDHZTPLXRNSPT-CKXPSTMWSA-N 0 1 291.391 3.778 20 0 CHADMN C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000902529583 1130020858 /nfs/dbraw/zinc/02/08/58/1130020858.db2.gz KJRIIFZXARJWSM-GFCCVEGCSA-N 0 1 285.343 3.629 20 0 CHADMN CC[N@@H+](CCC(C)(C)C(=O)[O-])[C@H](C)Cc1ccsc1 ZINC000902532129 1130021393 /nfs/dbraw/zinc/02/13/93/1130021393.db2.gz WYDNGUHUKVNWQH-GFCCVEGCSA-N 0 1 283.437 3.502 20 0 CHADMN CC(=O)c1ccc(-c2cncc(CN3CCCCC3)c2)cc1 ZINC001239631106 1130023407 /nfs/dbraw/zinc/02/34/07/1130023407.db2.gz JYGNEBHGXQXPBB-UHFFFAOYSA-N 0 1 294.398 3.937 20 0 CHADMN CNc1ccc(C)cc1CN[C@@H]1c2ccccc2O[C@@H]1C ZINC000902562396 1130025288 /nfs/dbraw/zinc/02/52/88/1130025288.db2.gz MMXKNHXRFYUZIP-ACJLOTCBSA-N 0 1 282.387 3.649 20 0 CHADMN COc1ccc(C(C)C)cc1-c1cc(N)c(C)cn1 ZINC001239659252 1130038677 /nfs/dbraw/zinc/03/86/77/1130038677.db2.gz WIBLMEPYNPBUAL-UHFFFAOYSA-N 0 1 256.349 3.771 20 0 CHADMN COc1ccc(OC)c(-c2cccc3nc(C)[nH]c32)c1 ZINC001239664964 1130040562 /nfs/dbraw/zinc/04/05/62/1130040562.db2.gz HNHCQZSJUVALBQ-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN CCC[C@H](C)c1noc([C@H](C)N2[C@H](C)CC[C@H]2C)n1 ZINC000785585645 1130040979 /nfs/dbraw/zinc/04/09/79/1130040979.db2.gz MBOVPKAVKFPAPJ-LOWDOPEQSA-N 0 1 265.401 3.907 20 0 CHADMN FC(F)(F)c1nc2ccc(-c3ccoc3)cc2[nH]1 ZINC001239688316 1130056068 /nfs/dbraw/zinc/05/60/68/1130056068.db2.gz LEEBRJUEZVIJPX-UHFFFAOYSA-N 0 1 252.195 3.842 20 0 CHADMN CN(C)Cc1ccc(-c2cccc(F)c2F)cc1F ZINC001239707547 1130064124 /nfs/dbraw/zinc/06/41/24/1130064124.db2.gz QLEGIUQWYLDLHH-UHFFFAOYSA-N 0 1 265.278 3.833 20 0 CHADMN COc1ccc(F)cc1-c1cccc(CN(C)C)c1F ZINC001239724733 1130075105 /nfs/dbraw/zinc/07/51/05/1130075105.db2.gz YVGDOZFDDSNMET-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN CC(C)(C)c1nnc(CN[C@@H]2C[C@H]3CCC[C@H]3C2)s1 ZINC000902878589 1130077838 /nfs/dbraw/zinc/07/78/38/1130077838.db2.gz HAAULUFTCBDGHB-ZSBIGDGJSA-N 0 1 279.453 3.504 20 0 CHADMN CCc1ccccc1-c1cc2nc[nH]c2cc1OC ZINC001239743462 1130084514 /nfs/dbraw/zinc/08/45/14/1130084514.db2.gz HWQVABKKYTXUIE-UHFFFAOYSA-N 0 1 252.317 3.801 20 0 CHADMN CC(=O)Nc1ccc(-c2ccc(F)c(CN(C)C)c2)cc1 ZINC001239758126 1130095817 /nfs/dbraw/zinc/09/58/17/1130095817.db2.gz OYMRUGRJCAHXMY-UHFFFAOYSA-N 0 1 286.350 3.513 20 0 CHADMN COc1ccc(C)cc1-c1nc(C(C)(C)C)nc2nc[nH]c21 ZINC001239765577 1130097677 /nfs/dbraw/zinc/09/76/77/1130097677.db2.gz BWRXHVVMCQDYPZ-UHFFFAOYSA-N 0 1 296.374 3.586 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H](C)c1cnn(CC2CCC2)c1 ZINC000903114102 1130115466 /nfs/dbraw/zinc/11/54/66/1130115466.db2.gz UDTYMMRMAXLARS-CABCVRRESA-N 0 1 298.434 3.798 20 0 CHADMN CCCSC[C@H](C)NC1(c2nc(C)cs2)CCC1 ZINC000903134219 1130117417 /nfs/dbraw/zinc/11/74/17/1130117417.db2.gz BRXFWXNJOBNTPK-LBPRGKRZSA-N 0 1 284.494 3.952 20 0 CHADMN C[C@@H](NCc1nccc2c1CCCC2)c1cccc(O)c1 ZINC000903183586 1130126175 /nfs/dbraw/zinc/12/61/75/1130126175.db2.gz DDPUKBNZSHHCKL-CYBMUJFWSA-N 0 1 282.387 3.517 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccc3c(c2)ncn3C)o1 ZINC000903204688 1130130110 /nfs/dbraw/zinc/13/01/10/1130130110.db2.gz UGNVKWWWHLFZAV-LBPRGKRZSA-N 0 1 283.375 3.580 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1cnn(CC2CCC2)c1 ZINC000903209142 1130130430 /nfs/dbraw/zinc/13/04/30/1130130430.db2.gz HCXHNTBLFHLKGZ-UHOFOFEASA-N 0 1 279.403 3.615 20 0 CHADMN COc1ccc2cc(-c3cc4[nH]nnc4cc3F)ccc2c1 ZINC001239841348 1130131971 /nfs/dbraw/zinc/13/19/71/1130131971.db2.gz ZDGAFMBIOCUHNN-UHFFFAOYSA-N 0 1 293.301 3.926 20 0 CHADMN COc1ccc2cc(-c3ccc(CN(C)C)cn3)ccc2c1 ZINC001239841640 1130132473 /nfs/dbraw/zinc/13/24/73/1130132473.db2.gz VBVSEAVBXFIFKA-UHFFFAOYSA-N 0 1 292.382 3.972 20 0 CHADMN CCc1ccc([C@@H](C)NCc2c[nH]c(=O)c3ccccc23)o1 ZINC000903232079 1130132954 /nfs/dbraw/zinc/13/29/54/1130132954.db2.gz SCMWRNYJCHRANX-GFCCVEGCSA-N 0 1 296.370 3.947 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccoc1)c1ccc2c(c1)CCO2 ZINC000903238583 1130133690 /nfs/dbraw/zinc/13/36/90/1130133690.db2.gz PUSXHZTVTZQVLR-NEPJUHHUSA-N 0 1 257.333 3.626 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(F)cn1)c1ccc2c(c1)CCO2 ZINC000903238427 1130133995 /nfs/dbraw/zinc/13/39/95/1130133995.db2.gz KELMNZOSAYBXIE-VXGBXAGGSA-N 0 1 286.350 3.567 20 0 CHADMN S=c1nc2[nH]cnc(-c3ccnc4ccccc43)c-2s1 ZINC001239849941 1130134044 /nfs/dbraw/zinc/13/40/44/1130134044.db2.gz CNGAPOMRLAPYMX-UHFFFAOYSA-N 0 1 296.380 3.916 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@H](C)c1ccc2c(c1)CCO2 ZINC000903238602 1130134235 /nfs/dbraw/zinc/13/42/35/1130134235.db2.gz QBRIEDKAGUZNNM-ZIAGYGMSSA-N 0 1 296.414 3.991 20 0 CHADMN Cc1nc(F)ccc1CN1CCC(CC(C)C)CC1 ZINC000787207614 1130140863 /nfs/dbraw/zinc/14/08/63/1130140863.db2.gz BBAOESRLEIMHAU-UHFFFAOYSA-N 0 1 264.388 3.787 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2ccc(F)nc2C)c1 ZINC000787289842 1130142594 /nfs/dbraw/zinc/14/25/94/1130142594.db2.gz MCJFSOPISHUODC-UHFFFAOYSA-N 0 1 272.367 3.778 20 0 CHADMN C[C@H](CCC(F)(F)F)N[C@H]1c2ccccc2OC[C@H]1F ZINC000903273132 1130142706 /nfs/dbraw/zinc/14/27/06/1130142706.db2.gz UCQXDYVMPFTSBS-XWIASGKRSA-N 0 1 291.288 3.779 20 0 CHADMN c1c[nH]c([C@@H](N[C@H]2CCCC3(CC3)C2)c2ccccc2)n1 ZINC000903278429 1130144311 /nfs/dbraw/zinc/14/43/11/1130144311.db2.gz DNUWGYXLUBAWBP-HOTGVXAUSA-N 0 1 281.403 3.812 20 0 CHADMN CCN(CC)C(=O)c1ccc(-c2cc3[nH]ccc3cn2)cc1 ZINC001239886371 1130146403 /nfs/dbraw/zinc/14/64/03/1130146403.db2.gz BHYSPPGNJOLOPG-UHFFFAOYSA-N 0 1 293.370 3.712 20 0 CHADMN CN(C/C=C\Cl)CCOc1ccc(C(F)(F)F)cc1 ZINC000787342761 1130147862 /nfs/dbraw/zinc/14/78/62/1130147862.db2.gz OQJUPJAHCBCHDC-UQCOIBPSSA-N 0 1 293.716 3.769 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(C(C)(C)O)cc1)c1cncs1 ZINC000903311068 1130150749 /nfs/dbraw/zinc/15/07/49/1130150749.db2.gz MNAPGJSFAGUEEG-NWDGAFQWSA-N 0 1 290.432 3.782 20 0 CHADMN COc1ccc2c(c1F)CC[C@@H]2N[C@@H](C)c1cncs1 ZINC000903311098 1130150780 /nfs/dbraw/zinc/15/07/80/1130150780.db2.gz NHKUVHZOTGWHJP-CABZTGNLSA-N 0 1 292.379 3.629 20 0 CHADMN CC(=O)Nc1ccc([C@@H](C)N[C@@H](C)c2cncs2)cc1 ZINC000903312669 1130151862 /nfs/dbraw/zinc/15/18/62/1130151862.db2.gz XQLJRNQAXJBMSK-MNOVXSKESA-N 0 1 289.404 3.513 20 0 CHADMN Cc1cccnc1[C@@H](N[C@@H](C)c1cnn(C)c1)C(C)(C)C ZINC000903327919 1130156529 /nfs/dbraw/zinc/15/65/29/1130156529.db2.gz BHXASYGSMRTMIU-XJKSGUPXSA-N 0 1 286.423 3.562 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](c2ccccn2)C2CC2)cc1O ZINC000903334813 1130160406 /nfs/dbraw/zinc/16/04/06/1130160406.db2.gz GRUXZDZBYHIJFS-XIKOKIGWSA-N 0 1 298.386 3.598 20 0 CHADMN COc1ccsc1[C@H](C)N[C@H](c1ccccn1)C1CC1 ZINC000903335447 1130160521 /nfs/dbraw/zinc/16/05/21/1130160521.db2.gz PGPDMRJRIBZWRY-NHYWBVRUSA-N 0 1 288.416 3.954 20 0 CHADMN Cc1cncc([C@@H](C)N[C@@H](c2ccccn2)C2CC2)c1 ZINC000903336473 1130161330 /nfs/dbraw/zinc/16/13/30/1130161330.db2.gz ZFHORJAGHYUWLY-CXAGYDPISA-N 0 1 267.376 3.587 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@@H](c2ccccn2)C2CC2)s1 ZINC000903338216 1130161726 /nfs/dbraw/zinc/16/17/26/1130161726.db2.gz HAUHYGDRMZNDQA-IAQYHMDHSA-N 0 1 287.432 3.957 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@H](c1ccccn1)C1CC1)CC2 ZINC000903338708 1130161816 /nfs/dbraw/zinc/16/18/16/1130161816.db2.gz IWGBTKHUXYIRJK-AEFFLSMTSA-N 0 1 282.362 3.949 20 0 CHADMN C[C@H](N[C@H](c1ccccn1)C1CC1)c1ccnc(Cl)c1 ZINC000903340605 1130162337 /nfs/dbraw/zinc/16/23/37/1130162337.db2.gz RSEYPUDDFSNVOV-ZBEGNZNMSA-N 0 1 287.794 3.932 20 0 CHADMN C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1cccc2c1OCO2 ZINC000903428929 1130175613 /nfs/dbraw/zinc/17/56/13/1130175613.db2.gz MTJZMOOXHNENCO-SJKOYZFVSA-N 0 1 296.370 3.612 20 0 CHADMN C[C@@H](N[C@H](c1ccncc1)C1CC1)c1cccc(O)c1F ZINC000903428450 1130175633 /nfs/dbraw/zinc/17/56/33/1130175633.db2.gz HGUUKGZJOJEBJS-DIFFPNOSSA-N 0 1 286.350 3.728 20 0 CHADMN Fc1cccc2c1SCC[C@@H]2NC/C=C\Cl ZINC000903442353 1130177389 /nfs/dbraw/zinc/17/73/89/1130177389.db2.gz NLYXEFHNRXGJAO-ZYVOWACSSA-N 0 1 257.761 3.705 20 0 CHADMN C[C@H](NC/C=C\Cl)c1cnc2ccsc2c1 ZINC000903443260 1130177998 /nfs/dbraw/zinc/17/79/98/1130177998.db2.gz DZHNEDLUIMNBSN-MDHMXLOGSA-N 0 1 252.770 3.699 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000903594429 1130183711 /nfs/dbraw/zinc/18/37/11/1130183711.db2.gz CDWWMHQIENMZTR-BHYGNILZSA-N 0 1 289.419 3.755 20 0 CHADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+]1CCCC2(C1)CCCCCC2 ZINC000903598351 1130183860 /nfs/dbraw/zinc/18/38/60/1130183860.db2.gz UXHNKQSWBCTFIK-CABCVRRESA-N 0 1 281.440 3.922 20 0 CHADMN C[C@@H]1CC[N@@H+](CCCCCC(=O)[O-])[C@H]1c1ccccc1 ZINC000903625076 1130184712 /nfs/dbraw/zinc/18/47/12/1130184712.db2.gz FKWWGYFLQOHTSD-RHSMWYFYSA-N 0 1 275.392 3.715 20 0 CHADMN C/C(=C/C[N@H+]1CC[C@H](c2ccc(C)cc2)C1(C)C)C(=O)[O-] ZINC000903611981 1130185087 /nfs/dbraw/zinc/18/50/87/1130185087.db2.gz PVVNDRPZUBXEMM-IHWMJMDHSA-N 0 1 287.403 3.594 20 0 CHADMN CC[C@H](OC(=O)[C@H](C(C)C)N(C)C)c1ccc(F)cc1F ZINC000803695920 1130186550 /nfs/dbraw/zinc/18/65/50/1130186550.db2.gz HJPMKUZCHHZLQI-GJZGRUSLSA-N 0 1 299.361 3.545 20 0 CHADMN CC(C)C[N@@H+](Cc1ccc(C(=O)[O-])s1)CC(C)(C)C ZINC000903673943 1130188068 /nfs/dbraw/zinc/18/80/68/1130188068.db2.gz OCMBJAJBMMNKGX-UHFFFAOYSA-N 0 1 283.437 3.950 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903696459 1130190259 /nfs/dbraw/zinc/19/02/59/1130190259.db2.gz XHQSFSYMFRBJFP-GOEBONIOSA-N 0 1 287.403 3.509 20 0 CHADMN C[C@@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)[C@H]2CCCC[C@@H]12 ZINC000903696298 1130190414 /nfs/dbraw/zinc/19/04/14/1130190414.db2.gz DWUVKKLFKPEDBE-ILXRZTDVSA-N 0 1 279.424 3.532 20 0 CHADMN CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC000903703031 1130190802 /nfs/dbraw/zinc/19/08/02/1130190802.db2.gz OXHALTFYAXIEOB-HUUCEWRRSA-N 0 1 293.451 3.780 20 0 CHADMN O=C([O-])C1(CC[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)CCC1 ZINC000903706421 1130192076 /nfs/dbraw/zinc/19/20/76/1130192076.db2.gz CWKYFMVBUIXMAK-BBRMVZONSA-N 0 1 285.387 3.566 20 0 CHADMN CC(C)NC(=O)c1ccc(-c2cc3nc[nH]c3cc2F)cc1 ZINC001240028010 1130198602 /nfs/dbraw/zinc/19/86/02/1130198602.db2.gz RYCBEXNDNNMYFY-UHFFFAOYSA-N 0 1 297.333 3.507 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1cscn1)[C@H](O)c1ccccc1 ZINC000788625145 1130199072 /nfs/dbraw/zinc/19/90/72/1130199072.db2.gz ZFOGRGKSQACMJR-APHBMKBZSA-N 0 1 290.432 3.552 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@@H+](C[C@@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC000903886146 1130207376 /nfs/dbraw/zinc/20/73/76/1130207376.db2.gz AOQSNRLAZJKGFL-COPLHBTASA-N 0 1 293.794 3.586 20 0 CHADMN Cc1ccccc1C[N@H+](C)[C@H](CCc1ccccc1)C(=O)[O-] ZINC000903885510 1130207471 /nfs/dbraw/zinc/20/74/71/1130207471.db2.gz PAHCJKYCXQAGOT-GOSISDBHSA-N 0 1 297.398 3.513 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@@H](CCc2ccccc2)C(=O)[O-])cc1 ZINC000903885338 1130207730 /nfs/dbraw/zinc/20/77/30/1130207730.db2.gz LYAAWJCSBMFZIF-SFHVURJKSA-N 0 1 297.398 3.513 20 0 CHADMN CC1(C)CCC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC000903888263 1130208615 /nfs/dbraw/zinc/20/86/15/1130208615.db2.gz WXFFYXOIFURAIE-UHFFFAOYSA-N 0 1 298.386 3.555 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC000903888005 1130209008 /nfs/dbraw/zinc/20/90/08/1130209008.db2.gz MKLUKZOYFMDCGI-IFUGULHKSA-N 0 1 293.794 3.586 20 0 CHADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903889934 1130209118 /nfs/dbraw/zinc/20/91/18/1130209118.db2.gz SWMHNLBCXTUDRB-QWHCGFSZSA-N 0 1 298.386 3.553 20 0 CHADMN C[N@@H+](CC1CCC2(CC2)CC1)[C@H](C(=O)[O-])c1ccccc1 ZINC000903906603 1130209812 /nfs/dbraw/zinc/20/98/12/1130209812.db2.gz MEIXGTYYZJWNGW-INIZCTEOSA-N 0 1 287.403 3.715 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000903899288 1130209876 /nfs/dbraw/zinc/20/98/76/1130209876.db2.gz XAVPZUGCSGRZSI-JICVQUKZSA-N 0 1 299.414 3.665 20 0 CHADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000903901353 1130210838 /nfs/dbraw/zinc/21/08/38/1130210838.db2.gz GZSAGRMPHUMGSU-FJBKBRRZSA-N 0 1 293.451 3.636 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCC2CCCCC2)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903951459 1130211984 /nfs/dbraw/zinc/21/19/84/1130211984.db2.gz KGTFGLGNIWTEQH-HLPPOEQASA-N 0 1 281.440 3.776 20 0 CHADMN Cc1cccc(C)c1C[N@@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]1C ZINC000903951711 1130212628 /nfs/dbraw/zinc/21/26/28/1130212628.db2.gz VAZFRHHADNMLMN-IVSAIRAKSA-N 0 1 289.419 3.623 20 0 CHADMN C[C@H](C[N@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]1C)CC(C)(C)C ZINC000903952809 1130212798 /nfs/dbraw/zinc/21/27/98/1130212798.db2.gz WNLHJCCFVSOAMT-AHDPXTMNSA-N 0 1 283.456 3.878 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCCC2CCCC2)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903953785 1130213035 /nfs/dbraw/zinc/21/30/35/1130213035.db2.gz VEBAIZQITIKUMU-HLPPOEQASA-N 0 1 281.440 3.776 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(Cl)cc2)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903952446 1130213237 /nfs/dbraw/zinc/21/32/37/1130213237.db2.gz YJUNJIZEGKVBHZ-OXJKWZBOSA-N 0 1 295.810 3.660 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCCC2CCCC2)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903953787 1130213402 /nfs/dbraw/zinc/21/34/02/1130213402.db2.gz VEBAIZQITIKUMU-ORIJERBGSA-N 0 1 281.440 3.776 20 0 CHADMN CN(Cc1nc(-c2ccc3cc[nH]c3c2)no1)CC(C)(C)C ZINC000903989691 1130213887 /nfs/dbraw/zinc/21/38/87/1130213887.db2.gz MPFXFLWVZDDOAB-UHFFFAOYSA-N 0 1 298.390 3.696 20 0 CHADMN CCCn1cc(-c2cccc3nc(C(F)(F)F)[nH]c32)cn1 ZINC001240133107 1130220556 /nfs/dbraw/zinc/22/05/56/1130220556.db2.gz BNKIVPHBSQPRCF-UHFFFAOYSA-N 0 1 294.280 3.855 20 0 CHADMN O=C(c1ccccc1)c1ccc(-c2cccc3[nH]nnc32)cc1 ZINC001240136605 1130221852 /nfs/dbraw/zinc/22/18/52/1130221852.db2.gz KWZJMHMSFRGLDX-UHFFFAOYSA-N 0 1 299.333 3.856 20 0 CHADMN Cc1nc2nc[nH]c2cc1-c1c2cc[nH]c2ccc1F ZINC001240213481 1130232416 /nfs/dbraw/zinc/23/24/16/1130232416.db2.gz KWGRTSJOCSYEFN-UHFFFAOYSA-N 0 1 266.279 3.554 20 0 CHADMN Fc1ccc2[nH]ccc2c1-c1cccc2cncn21 ZINC001240215610 1130234513 /nfs/dbraw/zinc/23/45/13/1130234513.db2.gz BLXDTSCGDSJWKA-UHFFFAOYSA-N 0 1 251.264 3.622 20 0 CHADMN Fc1ccc2[nH]ccc2c1-c1cccc2nc[nH]c21 ZINC001240216150 1130234725 /nfs/dbraw/zinc/23/47/25/1130234725.db2.gz RMPVCYGZWTVJAI-UHFFFAOYSA-N 0 1 251.264 3.850 20 0 CHADMN C[C@@H]1CC[C@H](NC2(c3ccccc3C(F)(F)F)COC2)C1 ZINC001170104940 1130247405 /nfs/dbraw/zinc/24/74/05/1130247405.db2.gz ORAOBZGIHZWMNK-NEPJUHHUSA-N 0 1 299.336 3.709 20 0 CHADMN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1C2CCC1CC2 ZINC000748814845 1130247553 /nfs/dbraw/zinc/24/75/53/1130247553.db2.gz FXYVQAOLGGSBGC-TZYSRNFLSA-N 0 1 294.398 3.794 20 0 CHADMN Cc1cc(C)cc([C@@H](O)CN2CC[C@H]2c2cccc(F)c2)c1 ZINC000748832057 1130252037 /nfs/dbraw/zinc/25/20/37/1130252037.db2.gz DCEAIRBZRSGQKL-OALUTQOASA-N 0 1 299.389 3.923 20 0 CHADMN C=Cc1ccc(-c2cccc(CCN3CCOCC3)c2)cc1 ZINC001240270484 1130253641 /nfs/dbraw/zinc/25/36/41/1130253641.db2.gz KQUQGQGJRMJFPX-UHFFFAOYSA-N 0 1 293.410 3.871 20 0 CHADMN CC/C=C(\C)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000749050856 1130262303 /nfs/dbraw/zinc/26/23/03/1130262303.db2.gz QQNJKTSSKURLMX-XBXARRHUSA-N 0 1 297.280 3.877 20 0 CHADMN CCCCO[C@H]1C[C@@H](NCc2coc(C3CC3)n2)C1(C)C ZINC000749110255 1130264070 /nfs/dbraw/zinc/26/40/70/1130264070.db2.gz CGFXIMKVGJLQHN-CABCVRRESA-N 0 1 292.423 3.625 20 0 CHADMN Cc1ccccc1OCCN1CC[C@H]1c1cccc(F)c1 ZINC000749115354 1130265481 /nfs/dbraw/zinc/26/54/81/1130265481.db2.gz RCJYSQNYRXRESQ-KRWDZBQOSA-N 0 1 285.362 3.960 20 0 CHADMN CC(C)(C)C1CCC(C[N@H+]2CCc3cn[nH]c3C2)CC1 ZINC000676795506 1130271163 /nfs/dbraw/zinc/27/11/63/1130271163.db2.gz LLJLDVQPMIVEDE-UHFFFAOYSA-N 0 1 275.440 3.620 20 0 CHADMN CC(C)(C)C1CCC(CN2CCc3c[nH]nc3C2)CC1 ZINC000676795506 1130271167 /nfs/dbraw/zinc/27/11/67/1130271167.db2.gz LLJLDVQPMIVEDE-UHFFFAOYSA-N 0 1 275.440 3.620 20 0 CHADMN CCCOC1CCN(Cc2cc(OC)ccc2Cl)CC1 ZINC001137264205 1130272261 /nfs/dbraw/zinc/27/22/61/1130272261.db2.gz JPONNPBPUASKAZ-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN Cc1nc([C@H](C)NCCOc2ccccc2F)c(C)s1 ZINC000676840038 1130273313 /nfs/dbraw/zinc/27/33/13/1130273313.db2.gz WHMUVTHFBBHCBF-JTQLQIEISA-N 0 1 294.395 3.629 20 0 CHADMN FC(F)(F)CCCCN1CC(c2nc3ccccc3[nH]2)C1 ZINC000676894908 1130275709 /nfs/dbraw/zinc/27/57/09/1130275709.db2.gz UXASWUDRQWHAKR-UHFFFAOYSA-N 0 1 297.324 3.695 20 0 CHADMN Cn1cc(-c2ccc(-c3cc4nc[nH]c4cc3F)cc2)cn1 ZINC001240366637 1130279686 /nfs/dbraw/zinc/27/96/86/1130279686.db2.gz GZQDVHKSLDFJOV-UHFFFAOYSA-N 0 1 292.317 3.770 20 0 CHADMN F[C@@H]1CCCCN(Cc2cnc3ccccc3c2)C1 ZINC001137276997 1130280512 /nfs/dbraw/zinc/28/05/12/1130280512.db2.gz IFWWULSWCCOGSM-OAHLLOKOSA-N 0 1 258.340 3.559 20 0 CHADMN CCCCc1noc([C@@H](C)N2CCC[C@H](C3CC3)C2)n1 ZINC000677047239 1130284251 /nfs/dbraw/zinc/28/42/51/1130284251.db2.gz SJYMCWBHUZEWLN-OCCSQVGLSA-N 0 1 277.412 3.595 20 0 CHADMN O=C([O-])c1ccccc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240386871 1130286097 /nfs/dbraw/zinc/28/60/97/1130286097.db2.gz HRSLDDHMWRTYIU-UHFFFAOYSA-N 0 1 293.366 3.674 20 0 CHADMN COc1c(F)nccc1C1=CCCN(Cc2ccccc2)C1 ZINC001240388039 1130286259 /nfs/dbraw/zinc/28/62/59/1130286259.db2.gz ZLAHFSASNGWUAN-UHFFFAOYSA-N 0 1 298.361 3.519 20 0 CHADMN Cc1csc(CN2C[C@H]3[C@H](CC3(F)F)C2)c1Cl ZINC001137287415 1130292698 /nfs/dbraw/zinc/29/26/98/1130292698.db2.gz JTDQGINGMNLVSF-BDAKNGLRSA-N 0 1 277.767 3.797 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1cnn(CCC(C)C)c1 ZINC001240417618 1130299810 /nfs/dbraw/zinc/29/98/10/1130299810.db2.gz GKRPEEBJOMTOEJ-UHFFFAOYSA-N 0 1 268.364 3.781 20 0 CHADMN Cc1cccc(C(C)(C)NCc2cn3cccc(F)c3n2)c1 ZINC000677323017 1130301525 /nfs/dbraw/zinc/30/15/25/1130301525.db2.gz VRKRMEQBPTZBSR-UHFFFAOYSA-N 0 1 297.377 3.807 20 0 CHADMN CCCO[C@@H]1CCN(Cc2scc(C)c2Cl)C1 ZINC001137291315 1130306598 /nfs/dbraw/zinc/30/65/98/1130306598.db2.gz NYOFOUDFZSDAGC-LLVKDONJSA-N 0 1 273.829 3.711 20 0 CHADMN Cc1cccc2nc(CN3CCC(C(C)(C)C)CC3)cn21 ZINC001137295349 1130309442 /nfs/dbraw/zinc/30/94/42/1130309442.db2.gz MHQIBFSEKULKCX-UHFFFAOYSA-N 0 1 285.435 3.901 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cc(OC)cc(C)n1 ZINC000677441317 1130311853 /nfs/dbraw/zinc/31/18/53/1130311853.db2.gz MVHAVGJPFLYXAT-IBGZPJMESA-N 0 1 296.414 3.908 20 0 CHADMN Cc1ccc(N(C(=O)c2ccc3cncn3c2)C(C)C)cc1 ZINC000790413556 1130313393 /nfs/dbraw/zinc/31/33/93/1130313393.db2.gz GXBCZSNUPJOCKZ-UHFFFAOYSA-N 0 1 293.370 3.698 20 0 CHADMN CCSc1ccc(Cl)cc1NC(=O)c1cnco1 ZINC000677537431 1130314940 /nfs/dbraw/zinc/31/49/40/1130314940.db2.gz CUVLWBMUIZWXBG-UHFFFAOYSA-N 0 1 282.752 3.692 20 0 CHADMN c1sc(C2CC2)nc1CN1C2CCCC1CCC2 ZINC000677555353 1130316027 /nfs/dbraw/zinc/31/60/27/1130316027.db2.gz BFEPASGSVGKXAK-UHFFFAOYSA-N 0 1 262.422 3.928 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC2(CC2)CC1 ZINC000677716869 1130322702 /nfs/dbraw/zinc/32/27/02/1130322702.db2.gz OOUMFDCJHLCXMF-LLVKDONJSA-N 0 1 251.320 3.902 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC2(CCOC2)CC1 ZINC000677721118 1130323433 /nfs/dbraw/zinc/32/34/33/1130323433.db2.gz VROXMYZCSWFXFE-LBPRGKRZSA-N 0 1 281.346 3.528 20 0 CHADMN CCn1nccc1CN[C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000677751996 1130329034 /nfs/dbraw/zinc/32/90/34/1130329034.db2.gz DRCUJRHPDGUBEF-MRXNPFEDSA-N 0 1 293.361 3.668 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2cnn(C(C)C)c2)s1 ZINC000677756339 1130330253 /nfs/dbraw/zinc/33/02/53/1130330253.db2.gz UOXDZYKCHPLEDJ-GHMZBOCLSA-N 0 1 278.425 3.641 20 0 CHADMN CCCc1ccc(OC(=O)c2ccc3cncn3c2)cc1 ZINC000790832202 1130335242 /nfs/dbraw/zinc/33/52/42/1130335242.db2.gz ZHIIQFWWICRNHN-UHFFFAOYSA-N 0 1 280.327 3.506 20 0 CHADMN C[C@H](CO)CN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000678043819 1130345061 /nfs/dbraw/zinc/34/50/61/1130345061.db2.gz FTBOVOWYHYPYAK-IINYFYTJSA-N 0 1 288.218 3.759 20 0 CHADMN Cc1c(N)ccnc1-c1cc(F)ccc1C(F)(F)F ZINC001240530591 1130345416 /nfs/dbraw/zinc/34/54/16/1130345416.db2.gz LOKDCJOOXURQSZ-UHFFFAOYSA-N 0 1 270.229 3.797 20 0 CHADMN CCOC(=[NH2+])c1cccc(-c2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001240549991 1130352796 /nfs/dbraw/zinc/35/27/96/1130352796.db2.gz KZOMBOIBARHKML-YMEZCHKHSA-N 0 1 295.338 3.813 20 0 CHADMN Fc1ccccc1CN(Cc1[nH]nc2ccccc21)C1CC1 ZINC000678126849 1130353709 /nfs/dbraw/zinc/35/37/09/1130353709.db2.gz WLNQMMIXNKFSIR-UHFFFAOYSA-N 0 1 295.361 3.867 20 0 CHADMN Cc1nc2sccn2c1CN(C)[C@@H]1CCc2ccccc21 ZINC000678131671 1130354125 /nfs/dbraw/zinc/35/41/25/1130354125.db2.gz KXUYPSLXDJKDDX-OAHLLOKOSA-N 0 1 297.427 3.824 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1cccc(-c2cc[nH]n2)c1 ZINC001240561795 1130359756 /nfs/dbraw/zinc/35/97/56/1130359756.db2.gz NASFHQDIJZLMMB-UHFFFAOYSA-N 0 1 274.327 3.928 20 0 CHADMN Cc1cc(-c2ccc(CN(C)C)c(F)c2)cc(C)c1O ZINC001243309052 1130364936 /nfs/dbraw/zinc/36/49/36/1130364936.db2.gz NZKLZTIOXMKVBU-UHFFFAOYSA-N 0 1 273.351 3.877 20 0 CHADMN C[C@H]1c2ccccc2OCCN1Cc1ccc2[nH]cnc2c1 ZINC000678197145 1130369322 /nfs/dbraw/zinc/36/93/22/1130369322.db2.gz ULAUJVCGUJZWJD-ZDUSSCGKSA-N 0 1 293.370 3.519 20 0 CHADMN C[C@H]1c2ccccc2OCCN1Cc1ccc2nc[nH]c2c1 ZINC000678197145 1130369327 /nfs/dbraw/zinc/36/93/27/1130369327.db2.gz ULAUJVCGUJZWJD-ZDUSSCGKSA-N 0 1 293.370 3.519 20 0 CHADMN Cc1n[nH]c(C)c1CN1CC(C)(C)[C@H]1c1ccccc1 ZINC000678213682 1130372663 /nfs/dbraw/zinc/37/26/63/1130372663.db2.gz BASPXNFVNCNRTF-MRXNPFEDSA-N 0 1 269.392 3.610 20 0 CHADMN c1n[nH]cc1CN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000678241312 1130377798 /nfs/dbraw/zinc/37/77/98/1130377798.db2.gz RNLNASLSAKMYRJ-KRWDZBQOSA-N 0 1 280.375 3.618 20 0 CHADMN Oc1ccc(-c2ccc(-c3[nH]ccc4ncnc3-4)cc2)cc1 ZINC001240596590 1130379416 /nfs/dbraw/zinc/37/94/16/1130379416.db2.gz PRHLAHUSOSZLDJ-UHFFFAOYSA-N 0 1 287.322 3.998 20 0 CHADMN Oc1ccc(-c2ccc(-c3nccc4[nH]cnc43)cc2)cc1 ZINC001240596590 1130379424 /nfs/dbraw/zinc/37/94/24/1130379424.db2.gz PRHLAHUSOSZLDJ-UHFFFAOYSA-N 0 1 287.322 3.998 20 0 CHADMN Cc1cc(C)c(CN2CCC3(CC2)OCc2ccccc23)[nH]1 ZINC001137328031 1130379527 /nfs/dbraw/zinc/37/95/27/1130379527.db2.gz PHHDEKFMQSCBSI-UHFFFAOYSA-N 0 1 296.414 3.653 20 0 CHADMN CNc1ncc2cc(-c3ccc4nc[nH]c4c3C)ccc2n1 ZINC001240598703 1130380628 /nfs/dbraw/zinc/38/06/28/1130380628.db2.gz TYVJQWCBSRDALN-UHFFFAOYSA-N 0 1 289.342 3.523 20 0 CHADMN Fc1ccc2c(c1)CN(Cc1nccc3ccccc31)CC2 ZINC000678265701 1130382169 /nfs/dbraw/zinc/38/21/69/1130382169.db2.gz YQGCNNWKSHFDOX-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1ccc(COC)o1 ZINC000678266440 1130384869 /nfs/dbraw/zinc/38/48/69/1130384869.db2.gz GVVJGAJPHDUMFH-SFHVURJKSA-N 0 1 285.387 3.935 20 0 CHADMN Cc1ncsc1CN1CCS[C@@H](c2ccccc2)C1 ZINC000678268075 1130384919 /nfs/dbraw/zinc/38/49/19/1130384919.db2.gz WBRJZCAUJBXGHE-OAHLLOKOSA-N 0 1 290.457 3.742 20 0 CHADMN Cc1ccc(OC(F)F)c(CN2CCCOC(C)(C)C2)c1 ZINC000678271761 1130386742 /nfs/dbraw/zinc/38/67/42/1130386742.db2.gz FIPXYJDDXAHUOV-UHFFFAOYSA-N 0 1 299.361 3.597 20 0 CHADMN CN(CCOC(C)(C)C)Cc1ccccc1OCC1CC1 ZINC000678284547 1130387970 /nfs/dbraw/zinc/38/79/70/1130387970.db2.gz SYKOEYCTSUOJEK-UHFFFAOYSA-N 0 1 291.435 3.722 20 0 CHADMN COc1ccc(CN(C)Cc2cc3ccccc3[nH]2)cc1O ZINC000678278401 1130389113 /nfs/dbraw/zinc/38/91/13/1130389113.db2.gz SDCGWJBSFYLGKT-UHFFFAOYSA-N 0 1 296.370 3.514 20 0 CHADMN FC(F)(F)C1=CCN(Cc2nccc3ccccc32)CC1 ZINC000678278256 1130389281 /nfs/dbraw/zinc/38/92/81/1130389281.db2.gz WGPLKCDALZOLSI-UHFFFAOYSA-N 0 1 292.304 3.929 20 0 CHADMN CC(C)=Cc1ncc(NC(=O)OC(C)(C)C)c2[nH]cnc21 ZINC001240634249 1130392889 /nfs/dbraw/zinc/39/28/89/1130392889.db2.gz PLSWGXXROSLFKA-UHFFFAOYSA-N 0 1 288.351 3.728 20 0 CHADMN CC(C)=Cc1[nH]cc(NC(=O)OC(C)(C)C)c2ncnc1-2 ZINC001240634249 1130392894 /nfs/dbraw/zinc/39/28/94/1130392894.db2.gz PLSWGXXROSLFKA-UHFFFAOYSA-N 0 1 288.351 3.728 20 0 CHADMN C[C@@H]1CC[C@@H](N2CCc3c([nH]nc3C(F)(F)F)C2)C1 ZINC001170159572 1130400009 /nfs/dbraw/zinc/40/00/09/1130400009.db2.gz VSOQERKPGNUGHT-KBVBSXBZSA-N 0 1 273.302 3.532 20 0 CHADMN FC(F)(F)CCN(Cc1n[nH]c2ccccc21)CC1CC1 ZINC000678336126 1130400141 /nfs/dbraw/zinc/40/01/41/1130400141.db2.gz YGROEVFQRMYLFN-UHFFFAOYSA-N 0 1 297.324 3.727 20 0 CHADMN FC(F)(F)CCN(Cc1[nH]nc2ccccc21)CC1CC1 ZINC000678336126 1130400154 /nfs/dbraw/zinc/40/01/54/1130400154.db2.gz YGROEVFQRMYLFN-UHFFFAOYSA-N 0 1 297.324 3.727 20 0 CHADMN FC(F)(F)CN(Cc1[nH]nc2ccccc21)CC1CCC1 ZINC000678334166 1130400599 /nfs/dbraw/zinc/40/05/99/1130400599.db2.gz PPXLYBQJKGPZGO-UHFFFAOYSA-N 0 1 297.324 3.727 20 0 CHADMN C[C@H]1CCN(Cc2cscc2Cl)C[C@@H]1n1ccnc1 ZINC000678336925 1130401638 /nfs/dbraw/zinc/40/16/38/1130401638.db2.gz NRNHERIGRXILMT-FZMZJTMJSA-N 0 1 295.839 3.681 20 0 CHADMN FC1(F)CN(Cc2ccc3nc[nH]c3c2)Cc2ccccc21 ZINC000678338899 1130402315 /nfs/dbraw/zinc/40/23/15/1130402315.db2.gz IEZSQGKDPRFIAV-UHFFFAOYSA-N 0 1 299.324 3.671 20 0 CHADMN COc1cc(-c2cc(N3CCCC3)ccn2)cc(F)c1F ZINC001240660387 1130404912 /nfs/dbraw/zinc/40/49/12/1130404912.db2.gz MODCOYFOKYJRTC-UHFFFAOYSA-N 0 1 290.313 3.636 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1cnc(C2CCC2)s1 ZINC000678362836 1130409154 /nfs/dbraw/zinc/40/91/54/1130409154.db2.gz QNDYVFMIUWUTBT-GFCCVEGCSA-N 0 1 287.432 3.965 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](C)c2cnccc2C)o1 ZINC000678425557 1130415441 /nfs/dbraw/zinc/41/54/41/1130415441.db2.gz BBRWVALORDMBFH-STQMWFEESA-N 0 1 258.365 3.957 20 0 CHADMN c1csc([C@H](NCc2nc3c(s2)CCC3)C2CC2)c1 ZINC000678494692 1130422711 /nfs/dbraw/zinc/42/27/11/1130422711.db2.gz ANVNWFVEBPJUHT-OAHLLOKOSA-N 0 1 290.457 3.934 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1cnccc1C)c1ccccn1 ZINC000678544158 1130425996 /nfs/dbraw/zinc/42/59/96/1130425996.db2.gz MEJSLCHFGSSIHS-WMLDXEAASA-N 0 1 269.392 3.977 20 0 CHADMN COc1ccc2c(c1)OCC[C@H]2N[C@H](C)c1cnccc1C ZINC000678545841 1130426440 /nfs/dbraw/zinc/42/64/40/1130426440.db2.gz QWOKLMHBHBJBRH-CXAGYDPISA-N 0 1 298.386 3.573 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H](C)c1cccc(O)c1 ZINC000678543429 1130426477 /nfs/dbraw/zinc/42/64/77/1130426477.db2.gz CHOMSMSRNPXYOX-OLZOCXBDSA-N 0 1 256.349 3.507 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H](C)c1cnccc1C ZINC000678543766 1130426653 /nfs/dbraw/zinc/42/66/53/1130426653.db2.gz JCANWJIPRSENFJ-ZIAGYGMSSA-N 0 1 255.365 3.505 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(C)nc1C)CO2 ZINC000678597114 1130435554 /nfs/dbraw/zinc/43/55/54/1130435554.db2.gz ZNEWDHQGYHTUEU-PBHICJAKSA-N 0 1 282.387 3.791 20 0 CHADMN Cc1cc(-c2cccc3nc(C(F)(F)F)[nH]c32)ccn1 ZINC001240720653 1130438007 /nfs/dbraw/zinc/43/80/07/1130438007.db2.gz ALPYLTRQPHCZGL-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN COCOc1cc(C)ccc1-c1nc(C)cc2[nH]ccc21 ZINC001240739226 1130448987 /nfs/dbraw/zinc/44/89/87/1130448987.db2.gz CRFVLGKYYRPSDN-UHFFFAOYSA-N 0 1 282.343 3.829 20 0 CHADMN COCOc1cc(C)ccc1-c1cc2[nH]ccc2c(C)n1 ZINC001240744939 1130451488 /nfs/dbraw/zinc/45/14/88/1130451488.db2.gz FIKXYMGHOKVITB-UHFFFAOYSA-N 0 1 282.343 3.829 20 0 CHADMN c1ccc([C@@H]2CCCN2Cc2nc3c(s2)CCC3)cc1 ZINC000678812550 1130458617 /nfs/dbraw/zinc/45/86/17/1130458617.db2.gz ABNVIDBKXLOCBA-HNNXBMFYSA-N 0 1 284.428 3.969 20 0 CHADMN CCN(CCc1ccccc1)Cc1nc2c(s1)CCC2 ZINC000678813965 1130460040 /nfs/dbraw/zinc/46/00/40/1130460040.db2.gz SZKLUMYEULUDKD-UHFFFAOYSA-N 0 1 286.444 3.696 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1ccc2c(c1)CCCO2 ZINC001240773356 1130465140 /nfs/dbraw/zinc/46/51/40/1130465140.db2.gz NUZDBOWFOUHSBB-UHFFFAOYSA-N 0 1 264.328 3.863 20 0 CHADMN C[C@H](NCc1ncccc1C(F)(F)F)c1ccccc1 ZINC000678863919 1130466782 /nfs/dbraw/zinc/46/67/82/1130466782.db2.gz JMLSSBRQWVAWNP-NSHDSACASA-N 0 1 280.293 3.951 20 0 CHADMN C[C@H](Cc1ccccc1Cl)N1C[C@@H](C)C[C@H]1CF ZINC001170265482 1130471826 /nfs/dbraw/zinc/47/18/26/1130471826.db2.gz HAQVWZVIIDLJES-SCRDCRAPSA-N 0 1 269.791 3.951 20 0 CHADMN C[C@H](Cc1ccccc1Cl)N1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001170276003 1130472775 /nfs/dbraw/zinc/47/27/75/1130472775.db2.gz LIKAWOTUSUJDIH-GVUJHPQVSA-N 0 1 267.775 3.561 20 0 CHADMN FC(F)Oc1cccc(Cl)c1CN[C@H]1CCSC1 ZINC000678993620 1130480118 /nfs/dbraw/zinc/48/01/18/1130480118.db2.gz JPAVWGCTPJSKGJ-QMMMGPOBSA-N 0 1 293.766 3.537 20 0 CHADMN C[C@H](NCc1ccc(Cl)o1)c1ccc2c(c1)COC2 ZINC000678997901 1130481782 /nfs/dbraw/zinc/48/17/82/1130481782.db2.gz QRAWRCDAOXFWRW-JTQLQIEISA-N 0 1 277.751 3.814 20 0 CHADMN C[C@@H](N[C@H](CC1CC1)c1ccccc1)c1nccn1C ZINC000679046598 1130487156 /nfs/dbraw/zinc/48/71/56/1130487156.db2.gz PDSKJGNOUGFTOA-CZUORRHYSA-N 0 1 269.392 3.612 20 0 CHADMN COc1ccc2c(c1)C[C@@H](Nc1ccc3nc[nH]c3c1)CC2 ZINC001170413787 1130492685 /nfs/dbraw/zinc/49/26/85/1130492685.db2.gz NXWYXWKIGDJYKJ-AWEZNQCLSA-N 0 1 293.370 3.541 20 0 CHADMN C[C@@H](Nc1cnn(-c2ccncc2)c1)c1cccc(F)c1 ZINC000679125827 1130495328 /nfs/dbraw/zinc/49/53/28/1130495328.db2.gz BHQQGAYMNKZGSC-GFCCVEGCSA-N 0 1 282.322 3.580 20 0 CHADMN c1nn(-c2ccncc2)cc1N[C@H](c1ccccc1)C1CC1 ZINC000679128903 1130496305 /nfs/dbraw/zinc/49/63/05/1130496305.db2.gz ZTKYZGGRXDYLDM-GOSISDBHSA-N 0 1 290.370 3.831 20 0 CHADMN O[C@@H](c1ccc(Cl)cc1)C1CCN(CC2(F)CC2)CC1 ZINC000792818475 1130499584 /nfs/dbraw/zinc/49/95/84/1130499584.db2.gz AHTDFWCTVOXIHL-HNNXBMFYSA-N 0 1 297.801 3.588 20 0 CHADMN CCN(c1ccc(NCC2(F)CC2)cc1)C(C)C ZINC000792839866 1130503314 /nfs/dbraw/zinc/50/33/14/1130503314.db2.gz AEZNZSJMFPOOLA-UHFFFAOYSA-N 0 1 250.361 3.835 20 0 CHADMN CCOc1cc(NCc2ccc3nc[nH]c3c2)ccc1OC ZINC000747099248 1130514052 /nfs/dbraw/zinc/51/40/52/1130514052.db2.gz PBMMTTUFNJTLNS-UHFFFAOYSA-N 0 1 297.358 3.582 20 0 CHADMN O=C(Nc1ccccc1)c1cccc(CN2CC=CCC2)c1 ZINC000679324017 1130514594 /nfs/dbraw/zinc/51/45/94/1130514594.db2.gz ZAXWTBKNLBYULP-UHFFFAOYSA-N 0 1 292.382 3.701 20 0 CHADMN C[C@H]1CCN(Cc2cccc(-c3cccnc3)c2)C[C@H]1F ZINC000679358684 1130520142 /nfs/dbraw/zinc/52/01/42/1130520142.db2.gz MADRCTQIDQRCEP-KBXCAEBGSA-N 0 1 284.378 3.929 20 0 CHADMN CCOc1cc(N[C@H](C)c2cn[nH]c2C)ccc1C ZINC000679363133 1130522811 /nfs/dbraw/zinc/52/28/11/1130522811.db2.gz CMJNEQAMGHRDKA-LLVKDONJSA-N 0 1 259.353 3.598 20 0 CHADMN CO[C@@H]1CCC[C@H](N[C@H](CCc2ccccc2)C(F)F)C1 ZINC000679389417 1130524415 /nfs/dbraw/zinc/52/44/15/1130524415.db2.gz WLZZJYOYISCLOM-ARFHVFGLSA-N 0 1 297.389 3.800 20 0 CHADMN CN(Cc1cc2ccccc2[nH]1)Cc1ccc(O)cc1 ZINC000679394037 1130527846 /nfs/dbraw/zinc/52/78/46/1130527846.db2.gz ZBXMHKVALMCGPC-UHFFFAOYSA-N 0 1 266.344 3.506 20 0 CHADMN C[C@@H]1CC[C@H](C(F)(F)F)CN1CCC(=O)c1ccccc1 ZINC000679544137 1130537195 /nfs/dbraw/zinc/53/71/95/1130537195.db2.gz GOVDDQHLXVHJIQ-OCCSQVGLSA-N 0 1 299.336 3.922 20 0 CHADMN CCc1noc(C)c1CN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679542797 1130538294 /nfs/dbraw/zinc/53/82/94/1130538294.db2.gz RYMNYXYRLILIFX-MWLCHTKSSA-N 0 1 290.329 3.708 20 0 CHADMN Cc1ccc(CN2C[C@@H](C(F)(F)F)CC[C@H]2C)nc1 ZINC000679545120 1130539840 /nfs/dbraw/zinc/53/98/40/1130539840.db2.gz JHSUEKHSKOQAKS-NEPJUHHUSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1ccncc1CN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679545910 1130540036 /nfs/dbraw/zinc/54/00/36/1130540036.db2.gz MSXPEJPSFQACFQ-AAEUAGOBSA-N 0 1 272.314 3.553 20 0 CHADMN Cc1csc(CNc2ccc(CN(C)C)c(Cl)c2)n1 ZINC000793342449 1130541436 /nfs/dbraw/zinc/54/14/36/1130541436.db2.gz DYEHGVPPXOYPRC-UHFFFAOYSA-N 0 1 295.839 3.779 20 0 CHADMN COc1ccccc1CN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679584058 1130543281 /nfs/dbraw/zinc/54/32/81/1130543281.db2.gz KFFFRXGAUYLQCI-DGCLKSJQSA-N 0 1 287.325 3.858 20 0 CHADMN CCc1ncc(CN2C[C@@H](C(F)(F)F)CC[C@H]2C)s1 ZINC000679584144 1130543946 /nfs/dbraw/zinc/54/39/46/1130543946.db2.gz LQEMPVKVURUWOI-ZJUUUORDSA-N 0 1 292.370 3.868 20 0 CHADMN C=Cc1ccc(CNc2nc3[nH]cnc3cc2Cl)cc1 ZINC001157778229 1130546537 /nfs/dbraw/zinc/54/65/37/1130546537.db2.gz PNTCQLDIZIQCHP-UHFFFAOYSA-N 0 1 284.750 3.866 20 0 CHADMN Fc1ccc([C@@H](NC2CSC2)c2ccccc2)cc1 ZINC000679627596 1130547584 /nfs/dbraw/zinc/54/75/84/1130547584.db2.gz SEPSPKGLYSPTHC-INIZCTEOSA-N 0 1 273.376 3.620 20 0 CHADMN CC(C)Oc1ccc(CN2CCC[C@H](OC(F)F)C2)cc1 ZINC000679679783 1130552161 /nfs/dbraw/zinc/55/21/61/1130552161.db2.gz VHPPLEWOXYAAFJ-HNNXBMFYSA-N 0 1 299.361 3.677 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc(F)c(F)c1F ZINC001240990799 1130555032 /nfs/dbraw/zinc/55/50/32/1130555032.db2.gz LJMZIIZHGPZGIH-UHFFFAOYSA-N 0 1 278.233 3.656 20 0 CHADMN CC(C)[C@H](NCc1ccc(F)cn1)c1ccc(F)c(F)c1 ZINC000679771450 1130557468 /nfs/dbraw/zinc/55/74/68/1130557468.db2.gz RVMHMXDTFHBCPT-INIZCTEOSA-N 0 1 294.320 3.986 20 0 CHADMN CN(Cc1ccsc1)C[C@@]1(C)CC1(Cl)Cl ZINC000827332979 1130558463 /nfs/dbraw/zinc/55/84/63/1130558463.db2.gz WEUORTQUKDJSTL-SNVBAGLBSA-N 0 1 264.221 3.764 20 0 CHADMN Cc1cc([C@H](C)NC2(c3ccc(Cl)cc3)CC2)n(C)n1 ZINC000793547073 1130567445 /nfs/dbraw/zinc/56/74/45/1130567445.db2.gz JRKLNPHTEGNWSE-LBPRGKRZSA-N 0 1 289.810 3.722 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCCc3ccc(F)cc32)n(C)n1 ZINC000793567739 1130570949 /nfs/dbraw/zinc/57/09/49/1130570949.db2.gz PMEUBRDNAZVURY-MLGOLLRUSA-N 0 1 287.382 3.596 20 0 CHADMN CCOc1cc(F)cc(-c2cccc3cncn32)c1 ZINC001241025426 1130571545 /nfs/dbraw/zinc/57/15/45/1130571545.db2.gz BHOXVYYDIDWCMP-UHFFFAOYSA-N 0 1 256.280 3.539 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001233963923 1130591317 /nfs/dbraw/zinc/59/13/17/1130591317.db2.gz DWHKXTUZPGIQJL-QGZVFWFLSA-N 0 1 288.366 3.655 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc(Cl)cs1 ZINC000758077824 1130596117 /nfs/dbraw/zinc/59/61/17/1130596117.db2.gz ZTMPZIYXMICYPK-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN CCCCC[C@@H]1CCCN1Cn1cc(C)cnc1=S ZINC000758351171 1130607551 /nfs/dbraw/zinc/60/75/51/1130607551.db2.gz PVBCUXNNHNSMNC-CQSZACIVSA-N 0 1 279.453 3.923 20 0 CHADMN CSC1(C[N@H+]2CCC(C)=C(Br)C2)CCC1 ZINC000811501705 1130617301 /nfs/dbraw/zinc/61/73/01/1130617301.db2.gz TZOYADPHDXGLLF-UHFFFAOYSA-N 0 1 290.270 3.647 20 0 CHADMN CSC1(CN2CCC(C)=C(Br)C2)CCC1 ZINC000811501705 1130617304 /nfs/dbraw/zinc/61/73/04/1130617304.db2.gz TZOYADPHDXGLLF-UHFFFAOYSA-N 0 1 290.270 3.647 20 0 CHADMN O[C@H](CN1C2CCC1CC2)c1ccc(Cl)cc1Cl ZINC000759117170 1130636991 /nfs/dbraw/zinc/63/69/91/1130636991.db2.gz ACUMFRSWKXYHEC-QIMFLAQGSA-N 0 1 286.202 3.654 20 0 CHADMN CC(C)(C)C1=CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000759268467 1130647990 /nfs/dbraw/zinc/64/79/90/1130647990.db2.gz LBFJBUBQSCXQTE-MRXNPFEDSA-N 0 1 277.383 3.537 20 0 CHADMN Cc1nccc(N(C)[C@@H](C)Cc2ccc(O)cc2)c1Cl ZINC000811814724 1130650754 /nfs/dbraw/zinc/65/07/54/1130650754.db2.gz ROSPQTKPKNIQFS-NSHDSACASA-N 0 1 290.794 3.816 20 0 CHADMN COCCN(CCF)[C@@H](C)c1cccc2ccccc21 ZINC000759330723 1130651683 /nfs/dbraw/zinc/65/16/83/1130651683.db2.gz QIMADEPRUOFQSS-AWEZNQCLSA-N 0 1 275.367 3.819 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNC[C@@H]2CC2(Cl)Cl)o1 ZINC000759646926 1130666709 /nfs/dbraw/zinc/66/67/09/1130666709.db2.gz RBHRXNRYGZVEIS-WCABBAIRSA-N 0 1 274.191 3.686 20 0 CHADMN C[C@@H](CC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C1CC1 ZINC000759752217 1130672731 /nfs/dbraw/zinc/67/27/31/1130672731.db2.gz ZWZGEQHPDVIJLK-QMMMGPOBSA-N 0 1 293.317 3.875 20 0 CHADMN c1nc(CNC[C@@H]2CCC=CO2)sc1-c1ccccc1 ZINC000780566152 1130684837 /nfs/dbraw/zinc/68/48/37/1130684837.db2.gz DXOJUOVHGURNJI-AWEZNQCLSA-N 0 1 286.400 3.592 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)NOC/C=C/Cl)c1ccccc1 ZINC000812399083 1130689042 /nfs/dbraw/zinc/68/90/42/1130689042.db2.gz HLQINZTYOSNXFW-AUYLWLBISA-N 0 1 281.783 3.617 20 0 CHADMN CSc1cc(F)c(O[C@@H]2CC[N@H+](C(C)C)C2)cc1F ZINC001234926261 1130692745 /nfs/dbraw/zinc/69/27/45/1130692745.db2.gz CPEBJNPOQMJXCL-SNVBAGLBSA-N 0 1 287.375 3.548 20 0 CHADMN Cc1ccc(O[C@H]2CCCN(C)C2)c(Cl)c1Cl ZINC001234929335 1130693306 /nfs/dbraw/zinc/69/33/06/1130693306.db2.gz DQAUQHWFKIKAMG-JTQLQIEISA-N 0 1 274.191 3.775 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235034770 1130702346 /nfs/dbraw/zinc/70/23/46/1130702346.db2.gz GTAFHULDENPQRO-DGCLKSJQSA-N 0 1 276.330 3.753 20 0 CHADMN CN(Cc1c[nH]c(-c2ccccc2F)c1)Cc1cccnc1 ZINC001235036534 1130705291 /nfs/dbraw/zinc/70/52/91/1130705291.db2.gz VTDDMFYSEFHUNG-UHFFFAOYSA-N 0 1 295.361 3.848 20 0 CHADMN c1ccc2c(c1)CN(Cc1cccc(N3CCCC3)c1)C2 ZINC001235089870 1130709610 /nfs/dbraw/zinc/70/96/10/1130709610.db2.gz TVOMXCRWWWBTLU-UHFFFAOYSA-N 0 1 278.399 3.803 20 0 CHADMN COCC[C@H]1CCCCN1Cc1c(F)cc(C)cc1F ZINC001235195899 1130723321 /nfs/dbraw/zinc/72/33/21/1130723321.db2.gz XXQIXXSYWYRCCY-CYBMUJFWSA-N 0 1 283.362 3.664 20 0 CHADMN COc1cccc(CN(C)Cc2cc3cccc(F)c3[nH]2)c1 ZINC001235247643 1130727343 /nfs/dbraw/zinc/72/73/43/1130727343.db2.gz QHNHVUSMUGXPBT-UHFFFAOYSA-N 0 1 298.361 3.948 20 0 CHADMN CCCOC1CCN(Cc2cc3cccc(F)c3[nH]2)CC1 ZINC001235248059 1130728168 /nfs/dbraw/zinc/72/81/68/1130728168.db2.gz VYLYHQSYLBEAHR-UHFFFAOYSA-N 0 1 290.382 3.698 20 0 CHADMN CCc1cccc(CN(C)Cc2ccc(C)c(C)c2)n1 ZINC001235266747 1130731327 /nfs/dbraw/zinc/73/13/27/1130731327.db2.gz QHMMHOUPQZRDID-UHFFFAOYSA-N 0 1 268.404 3.893 20 0 CHADMN Cc1ccc(-c2cccc(CN3CCO[C@@H](C)C3)c2)cc1 ZINC001235307548 1130732894 /nfs/dbraw/zinc/73/28/94/1130732894.db2.gz AWHNEFTUOSVEKU-INIZCTEOSA-N 0 1 281.399 3.883 20 0 CHADMN CC[C@H]1CCCC[C@H]1C[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000692427845 1130739222 /nfs/dbraw/zinc/73/92/22/1130739222.db2.gz TZAUSTBFARATQW-IRXDYDNUSA-N 0 1 289.419 3.790 20 0 CHADMN COc1cc(CN2[C@@H](C)CCC[C@@H]2C)cc(F)c1F ZINC001235434933 1130744387 /nfs/dbraw/zinc/74/43/87/1130744387.db2.gz VMSBJBWACHHECK-QWRGUYRKSA-N 0 1 269.335 3.736 20 0 CHADMN CCCN(Cc1cncc(F)c1Cl)[C@@H](C)CC ZINC001235491945 1130748504 /nfs/dbraw/zinc/74/85/04/1130748504.db2.gz IJXFCZGPZAFPTP-JTQLQIEISA-N 0 1 258.768 3.885 20 0 CHADMN FC1(F)CCCN(Cc2c[nH]c3cnc(Cl)cc23)CC1 ZINC001235503677 1130749322 /nfs/dbraw/zinc/74/93/22/1130749322.db2.gz DPBXDUPRICOQGY-UHFFFAOYSA-N 0 1 299.752 3.838 20 0 CHADMN Cc1ccc2c(ccnc2NCc2cccc3ccnn32)c1 ZINC001170701896 1130755573 /nfs/dbraw/zinc/75/55/73/1130755573.db2.gz SPOVMNFFOXAGSK-UHFFFAOYSA-N 0 1 288.354 3.803 20 0 CHADMN CC[C@@H]1CCCN(Cc2nccc(C)c2Cl)C1 ZINC001235589703 1130757321 /nfs/dbraw/zinc/75/73/21/1130757321.db2.gz XQTFOGIDVKIIJM-GFCCVEGCSA-N 0 1 252.789 3.665 20 0 CHADMN CN(Cc1cncs1)Cc1ccccc1-c1ccncc1 ZINC001235622672 1130758411 /nfs/dbraw/zinc/75/84/11/1130758411.db2.gz OEIPKMVGUALZMJ-UHFFFAOYSA-N 0 1 295.411 3.837 20 0 CHADMN C[C@@H]1CCCCN1Cc1cccn1C(=O)OC(C)(C)C ZINC001235622411 1130759332 /nfs/dbraw/zinc/75/93/32/1130759332.db2.gz ASGDKIKZSCZVJA-CYBMUJFWSA-N 0 1 278.396 3.646 20 0 CHADMN CN(Cc1ccccn1)[C@H]1CCc2cc(Cl)ccc21 ZINC000782192557 1130759711 /nfs/dbraw/zinc/75/97/11/1130759711.db2.gz IHNIBLWONWURTL-INIZCTEOSA-N 0 1 272.779 3.854 20 0 CHADMN Cc1cncc(Br)c1CN1CCC[C@H](C)CC1 ZINC001235640147 1130760195 /nfs/dbraw/zinc/76/01/95/1130760195.db2.gz AFEVDXSLRXESLW-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN Cc1cncc(Br)c1CN1CCC2(CCC2)C1 ZINC001235640691 1130760627 /nfs/dbraw/zinc/76/06/27/1130760627.db2.gz DZHFDMSWCDNWOL-UHFFFAOYSA-N 0 1 295.224 3.529 20 0 CHADMN Cc1cncc(Br)c1CN1CCCCCC1 ZINC001235639264 1130760892 /nfs/dbraw/zinc/76/08/92/1130760892.db2.gz UETPIJDQHCJOEZ-UHFFFAOYSA-N 0 1 283.213 3.529 20 0 CHADMN Cc1cncc(Br)c1CN1CCC[C@@H](C)[C@@H]1C ZINC001235647657 1130761020 /nfs/dbraw/zinc/76/10/20/1130761020.db2.gz RJKAFCHNIREXFE-PWSUYJOCSA-N 0 1 297.240 3.773 20 0 CHADMN C[C@@H](C1CC1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000782193895 1130761213 /nfs/dbraw/zinc/76/12/13/1130761213.db2.gz PIWOESWPLHRFHI-XHDPSFHLSA-N 0 1 299.336 3.877 20 0 CHADMN Cc1cc(C)c(-c2ccc(/C=C/C(=O)[O-])cc2)c(C)[nH+]1 ZINC001235690149 1130769722 /nfs/dbraw/zinc/76/97/22/1130769722.db2.gz BPUVQPPMMZMOBJ-RMKNXTFCSA-N 0 1 267.328 3.772 20 0 CHADMN C=C(OCC)c1ccc(-c2cc(Cl)ccc2O)nn1 ZINC001245049939 1130773609 /nfs/dbraw/zinc/77/36/09/1130773609.db2.gz YHIOJCPYYNJJAE-UHFFFAOYSA-N 0 1 276.723 3.510 20 0 CHADMN CN(C)Cc1cc(-c2cc(O)cc(Cl)c2)ccc1F ZINC001235908618 1130803107 /nfs/dbraw/zinc/80/31/07/1130803107.db2.gz GTBQVQFCYFHVRR-UHFFFAOYSA-N 0 1 279.742 3.913 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2nccnc2C)cc(C)c1F ZINC000783243963 1130806551 /nfs/dbraw/zinc/80/65/51/1130806551.db2.gz QBDWLZCZYMABTL-TZMCWYRMSA-N 0 1 287.382 3.953 20 0 CHADMN C[C@@H](CN[C@@H](c1ncc[nH]1)c1ccccc1)C(C)(C)C ZINC000783245996 1130806651 /nfs/dbraw/zinc/80/66/51/1130806651.db2.gz QVOOGLUJTIMAKI-DZGCQCFKSA-N 0 1 271.408 3.771 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@@H](C)c1nccnc1C)CCC2 ZINC000783253054 1130808299 /nfs/dbraw/zinc/80/82/99/1130808299.db2.gz FUKIJUCFNSBZQJ-SUMWQHHRSA-N 0 1 297.402 3.522 20 0 CHADMN Cc1nc2c[nH]cc(-c3ccc(OC(F)(F)F)cc3)c-2n1 ZINC001235939161 1130810690 /nfs/dbraw/zinc/81/06/90/1130810690.db2.gz ZJLYFKSNYIZSQQ-UHFFFAOYSA-N 0 1 293.248 3.832 20 0 CHADMN Cc1nc2c(cncc2-c2ccc(OC(F)(F)F)cc2)[nH]1 ZINC001235939161 1130810695 /nfs/dbraw/zinc/81/06/95/1130810695.db2.gz ZJLYFKSNYIZSQQ-UHFFFAOYSA-N 0 1 293.248 3.832 20 0 CHADMN CC(C)Oc1ccc(Cl)cc1-c1cc(N)ccn1 ZINC001235940526 1130810809 /nfs/dbraw/zinc/81/08/09/1130810809.db2.gz UDGSZQLAOBLPGI-UHFFFAOYSA-N 0 1 262.740 3.771 20 0 CHADMN CC1(C)[C@@H]2C[C@@H](NC3(c4cccc(Cl)c4)COC3)C[C@@H]21 ZINC001170719572 1130810882 /nfs/dbraw/zinc/81/08/82/1130810882.db2.gz DZIQWJZLGSICPP-QKDCVEJESA-N 0 1 291.822 3.590 20 0 CHADMN Clc1cccc2c1CCN(Cc1cccc3c1CCN3)C2 ZINC001235949517 1130815407 /nfs/dbraw/zinc/81/54/07/1130815407.db2.gz NRRHCKZFMJBXSK-UHFFFAOYSA-N 0 1 298.817 3.866 20 0 CHADMN Oc1c(F)cc(F)c(-c2nccc(-c3ccco3)n2)c1F ZINC001235983673 1130822975 /nfs/dbraw/zinc/82/29/75/1130822975.db2.gz FZNLHGFQAMSZOC-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN Nc1ccc(F)c(CN2CCC3(CC[C@H](F)C3)CC2)c1F ZINC001235984068 1130823488 /nfs/dbraw/zinc/82/34/88/1130823488.db2.gz BDDDAUFEWYARBZ-NSHDSACASA-N 0 1 298.352 3.651 20 0 CHADMN Oc1c(F)cc(F)c(-c2cc(C3CC3)ccn2)c1F ZINC001235983458 1130823617 /nfs/dbraw/zinc/82/36/17/1130823617.db2.gz ATQYMKDKUSYRKZ-UHFFFAOYSA-N 0 1 265.234 3.749 20 0 CHADMN Cc1cc2[nH]ccc2c(-c2c(F)cc(F)c(O)c2F)n1 ZINC001235983872 1130823770 /nfs/dbraw/zinc/82/37/70/1130823770.db2.gz HVPVFQKVWMHECU-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN Oc1c(F)cc(F)c(-c2cc(F)cc(F)c2)c1F ZINC001235993883 1130825169 /nfs/dbraw/zinc/82/51/69/1130825169.db2.gz GVFBCVUGJKCBND-UHFFFAOYSA-N 0 1 260.161 3.755 20 0 CHADMN Cc1cc2ncnc(-c3c(F)cc(F)c(O)c3F)c2s1 ZINC001235990035 1130826134 /nfs/dbraw/zinc/82/61/34/1130826134.db2.gz MNLCIIQHSOVNLM-UHFFFAOYSA-N 0 1 296.273 3.790 20 0 CHADMN Fc1cccc2c1CCN(Cc1cccc3cnccc31)C2 ZINC000783467201 1130826292 /nfs/dbraw/zinc/82/62/92/1130826292.db2.gz KJPIBBHNPZQSIC-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN Cc1cc(CC(=O)O[C@H](C)c2ccc(C(C)C)cc2)n[nH]1 ZINC000783454927 1130827066 /nfs/dbraw/zinc/82/70/66/1130827066.db2.gz HPNURBXYWHJWGU-CYBMUJFWSA-N 0 1 286.375 3.688 20 0 CHADMN Cc1cc(OC(C)C)ncc1-c1c(F)cc(F)c(O)c1F ZINC001235999301 1130827506 /nfs/dbraw/zinc/82/75/06/1130827506.db2.gz CPSOOYZYHPBVRI-UHFFFAOYSA-N 0 1 297.276 3.967 20 0 CHADMN C[C@@H]1Cc2cc(-c3c(F)cc(F)c(O)c3F)ccc2O1 ZINC001235996825 1130827776 /nfs/dbraw/zinc/82/77/76/1130827776.db2.gz YXTUSPFAJRSQSK-SSDOTTSWSA-N 0 1 280.245 3.800 20 0 CHADMN Oc1c(F)cc(F)c(-c2cccnc2C(F)F)c1F ZINC001235997558 1130828095 /nfs/dbraw/zinc/82/80/95/1130828095.db2.gz FJTOELNXUPYPBX-UHFFFAOYSA-N 0 1 275.176 3.809 20 0 CHADMN C=CC(=O)Oc1ccc(-c2c(F)cc(F)c(O)c2F)cc1 ZINC001236000920 1130829032 /nfs/dbraw/zinc/82/90/32/1130829032.db2.gz POLVQGWRYQSBBZ-UHFFFAOYSA-N 0 1 294.228 3.568 20 0 CHADMN COCOc1ccc(F)cc1-c1ccc2nc(C)[nH]c2c1 ZINC001236070427 1130847489 /nfs/dbraw/zinc/84/74/89/1130847489.db2.gz OQPNSCVHXKNWRN-UHFFFAOYSA-N 0 1 286.306 3.660 20 0 CHADMN CC(C)(C)SCCSCc1n[nH]c(C(C)(C)C)n1 ZINC000814248654 1130856271 /nfs/dbraw/zinc/85/62/71/1130856271.db2.gz ZTBHOQAZENTLMS-UHFFFAOYSA-N 0 1 287.498 3.867 20 0 CHADMN Fc1cccc(CNCc2cccc(-c3cccnc3)c2)n1 ZINC000747936231 1130867263 /nfs/dbraw/zinc/86/72/63/1130867263.db2.gz RUQLAZJRYCAHIO-UHFFFAOYSA-N 0 1 293.345 3.573 20 0 CHADMN CN[C@@H]1CCN1Cc1cc(C)c(-c2ccc(F)cc2)c(C)c1 ZINC001236167285 1130878011 /nfs/dbraw/zinc/87/80/11/1130878011.db2.gz NFJJJIQFKUHQFS-SFHVURJKSA-N 0 1 298.405 3.861 20 0 CHADMN CN[C@@H]1CCN1Cc1ccc(/C=C/c2ccccc2)cc1 ZINC001236168370 1130879070 /nfs/dbraw/zinc/87/90/70/1130879070.db2.gz STEJURZYNNPQAY-UCFODXPJSA-N 0 1 278.399 3.608 20 0 CHADMN Cc1cc(CN2CCc3ccc(N)cc3C2)ccc1Cl ZINC001236232173 1130900818 /nfs/dbraw/zinc/90/08/18/1130900818.db2.gz MOCXLHWWJRWPSQ-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN CN(C)Cc1ccc(C2=CC[C@H](C(F)(F)F)CC2)nc1 ZINC001236249103 1130905010 /nfs/dbraw/zinc/90/50/10/1130905010.db2.gz ITWMJEHJWLKWGC-ZDUSSCGKSA-N 0 1 284.325 3.889 20 0 CHADMN CN(CCO)Cc1ccccc1Oc1cccc(Cl)c1 ZINC001236254637 1130907493 /nfs/dbraw/zinc/90/74/93/1130907493.db2.gz CFDMJBZENYQTKY-UHFFFAOYSA-N 0 1 291.778 3.556 20 0 CHADMN Cc1c(Cl)cccc1CN1CCc2c(N)cccc2C1 ZINC001236365126 1130920503 /nfs/dbraw/zinc/92/05/03/1130920503.db2.gz DOVNVHNEMOIGCN-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN CCc1cc(CN[C@@H](CCC(C)C)c2ccoc2)n[nH]1 ZINC000796758239 1130928731 /nfs/dbraw/zinc/92/87/31/1130928731.db2.gz CQCNSPJIYBXSNJ-INIZCTEOSA-N 0 1 275.396 3.832 20 0 CHADMN CCc1cc(CN[C@@H](CCC(C)C)c2ccoc2)[nH]n1 ZINC000796758239 1130928735 /nfs/dbraw/zinc/92/87/35/1130928735.db2.gz CQCNSPJIYBXSNJ-INIZCTEOSA-N 0 1 275.396 3.832 20 0 CHADMN CC(C)OCc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1 ZINC000796874048 1130941741 /nfs/dbraw/zinc/94/17/41/1130941741.db2.gz QCPQZRIFVSCIIA-INIZCTEOSA-N 0 1 285.391 3.824 20 0 CHADMN COc1nc(C(C)C)ccc1-c1cccn2cncc12 ZINC001236446824 1130944174 /nfs/dbraw/zinc/94/41/74/1130944174.db2.gz QAGDWGOJJFHJJQ-UHFFFAOYSA-N 0 1 267.332 3.528 20 0 CHADMN CC(C)Oc1cc(F)ccc1N[C@@H]1CCCc2[nH]ncc21 ZINC000796929755 1130947056 /nfs/dbraw/zinc/94/70/56/1130947056.db2.gz ULDLTPLYGLGHGU-CYBMUJFWSA-N 0 1 289.354 3.826 20 0 CHADMN CC(C)[C@@H]1CCCCN1Cc1ccnc(Br)c1 ZINC000815050529 1130952339 /nfs/dbraw/zinc/95/23/39/1130952339.db2.gz ACNIXMGWLGXPTR-ZDUSSCGKSA-N 0 1 297.240 3.855 20 0 CHADMN CCOc1ncc(Cl)cc1-c1cccc2nc[nH]c21 ZINC001236493942 1130956771 /nfs/dbraw/zinc/95/67/71/1130956771.db2.gz VFOFFNGSSQOGCW-UHFFFAOYSA-N 0 1 273.723 3.677 20 0 CHADMN Cc1cc(CNc2cc3c(cn2)CCC3)cnc1Cl ZINC000815159130 1130963437 /nfs/dbraw/zinc/96/34/37/1130963437.db2.gz JUIFXLXLQZXORG-UHFFFAOYSA-N 0 1 273.767 3.539 20 0 CHADMN C[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)[C@@H]1C ZINC000815163559 1130964132 /nfs/dbraw/zinc/96/41/32/1130964132.db2.gz PMGRHCBUYDDORT-VXGBXAGGSA-N 0 1 258.390 3.650 20 0 CHADMN CCc1cccc(Nc2cc([C@@H]3CCCCN3)no2)c1 ZINC001159309919 1130972346 /nfs/dbraw/zinc/97/23/46/1130972346.db2.gz ZMGJTUOZVSIITI-AWEZNQCLSA-N 0 1 271.364 3.795 20 0 CHADMN Cl/C=C/CN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000815207699 1130972778 /nfs/dbraw/zinc/97/27/78/1130972778.db2.gz NEPBJYMTMBCABX-SVTCFATOSA-N 0 1 272.175 3.546 20 0 CHADMN Fc1cc(CN2CCC[C@H]3CCC[C@H]32)c2c(c1)CCCO2 ZINC001236631088 1130985245 /nfs/dbraw/zinc/98/52/45/1130985245.db2.gz YCQISTQJGTZCFI-CXAGYDPISA-N 0 1 289.394 3.915 20 0 CHADMN COc1ccc2sc(CN(C)Cc3ccccn3)cc2c1 ZINC001236655461 1130989336 /nfs/dbraw/zinc/98/93/36/1130989336.db2.gz BXRWOFFLXVMRRS-UHFFFAOYSA-N 0 1 298.411 3.937 20 0 CHADMN COc1ccc2sc(CN3CCC[C@@H](F)C3)cc2c1 ZINC001236660466 1130989917 /nfs/dbraw/zinc/98/99/17/1130989917.db2.gz DVCARNJEOIUCGD-GFCCVEGCSA-N 0 1 279.380 3.844 20 0 CHADMN C[C@@H]1CN(Cc2cccc3sccc32)CCCC1=O ZINC001236680961 1130993427 /nfs/dbraw/zinc/99/34/27/1130993427.db2.gz CVXOXYZONVFFSP-GFCCVEGCSA-N 0 1 273.401 3.702 20 0 CHADMN CC(C)[C@@H]1COCCN1Cc1cccc2sccc21 ZINC001236689955 1130993742 /nfs/dbraw/zinc/99/37/42/1130993742.db2.gz NVDKIAYZLREING-HNNXBMFYSA-N 0 1 275.417 3.758 20 0 CHADMN c1cc2c(cccc2CN2CCOC[C@H]2C2CC2)s1 ZINC001236685172 1130994323 /nfs/dbraw/zinc/99/43/23/1130994323.db2.gz YSLQSKNGMSSMJF-HNNXBMFYSA-N 0 1 273.401 3.512 20 0 CHADMN Cc1ccc(CC[N@@H+](C)Cc2ccc(F)c([O-])c2)cc1 ZINC001236706127 1130996401 /nfs/dbraw/zinc/99/64/01/1130996401.db2.gz SSTIBKGPXIHGRA-UHFFFAOYSA-N 0 1 273.351 3.514 20 0 CHADMN Cc1ccc(CC[N@H+](C)Cc2ccc(F)c([O-])c2)cc1 ZINC001236706127 1130996405 /nfs/dbraw/zinc/99/64/05/1130996405.db2.gz SSTIBKGPXIHGRA-UHFFFAOYSA-N 0 1 273.351 3.514 20 0 CHADMN Cc1ccc(C(C)(C)NCc2cc(C)nc(Cl)c2)cn1 ZINC000797601370 1130997196 /nfs/dbraw/zinc/99/71/96/1130997196.db2.gz FUPQJZUNSMHFST-UHFFFAOYSA-N 0 1 289.810 3.772 20 0 CHADMN Cc1c(F)ccc(CN2CC[C@H]3O[C@@H](C)C[C@H]3C2)c1Cl ZINC001236708787 1130997474 /nfs/dbraw/zinc/99/74/74/1130997474.db2.gz CJYGCTPCPZYJPB-VZJVUDMVSA-N 0 1 297.801 3.787 20 0 CHADMN C[C@@]1(CF)CCN(Cc2ccc(OC(F)F)cc2F)C1 ZINC001236718867 1130999331 /nfs/dbraw/zinc/99/93/31/1130999331.db2.gz QFLCUVGWZHXDPJ-AWEZNQCLSA-N 0 1 291.288 3.609 20 0 CHADMN CC[C@H]1CCCN1Cc1ccc(O)cc1OC(F)(F)F ZINC001236727734 1131000849 /nfs/dbraw/zinc/00/08/49/1131000849.db2.gz XWAVODBERCETQD-NSHDSACASA-N 0 1 289.297 3.665 20 0 CHADMN Cc1ccn2cc(CN[C@H](C)c3ccc(F)cc3C)nc2c1 ZINC000815576506 1131001528 /nfs/dbraw/zinc/00/15/28/1131001528.db2.gz RQYXHZDCAQPWQE-CQSZACIVSA-N 0 1 297.377 3.941 20 0 CHADMN c1cc2c(cccc2CN2CCC[C@H]2c2cnccn2)o1 ZINC001236736111 1131002025 /nfs/dbraw/zinc/00/20/25/1131002025.db2.gz ASABFYFGMASXFD-INIZCTEOSA-N 0 1 279.343 3.560 20 0 CHADMN CCc1cc(CN[C@H](C)c2cccc(C3CC3)c2)[nH]n1 ZINC000815580661 1131002641 /nfs/dbraw/zinc/00/26/41/1131002641.db2.gz OEHRJMSAWGSKHX-GFCCVEGCSA-N 0 1 269.392 3.700 20 0 CHADMN c1cc2c(cccc2CN2CCOc3ccccc3C2)o1 ZINC001236742583 1131003148 /nfs/dbraw/zinc/00/31/48/1131003148.db2.gz FYYLOBXCJLMTCS-UHFFFAOYSA-N 0 1 279.339 3.827 20 0 CHADMN c1cc2c(o1)CCN(Cc1cccc3occc31)C2 ZINC001236737643 1131003349 /nfs/dbraw/zinc/00/33/49/1131003349.db2.gz HUCNTNJVDNSDTE-UHFFFAOYSA-N 0 1 253.301 3.584 20 0 CHADMN c1cc2c(cccc2CN2CCC[C@@H]2c2cnccn2)o1 ZINC001236736113 1131003664 /nfs/dbraw/zinc/00/36/64/1131003664.db2.gz ASABFYFGMASXFD-MRXNPFEDSA-N 0 1 279.343 3.560 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2C)c1 ZINC001236762504 1131004987 /nfs/dbraw/zinc/00/49/87/1131004987.db2.gz HUHNFQZVBFZGDU-NSHDSACASA-N 0 1 281.783 3.501 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000815610248 1131008388 /nfs/dbraw/zinc/00/83/88/1131008388.db2.gz GLPSHCQLXBFEHT-CYBMUJFWSA-N 0 1 296.349 3.888 20 0 CHADMN COc1cc(CN2CCC[C@@H](C)[C@H]2C)c(F)cc1F ZINC001236824200 1131013701 /nfs/dbraw/zinc/01/37/01/1131013701.db2.gz PBDKGZYTYQEFCV-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN F[C@@H]1C[C@@H]2C[C@H]1CN2Cc1nc2ccccc2cc1Cl ZINC001236872757 1131027971 /nfs/dbraw/zinc/02/79/71/1131027971.db2.gz BDYJSSYVFYONQE-SGMGOOAPSA-N 0 1 290.769 3.821 20 0 CHADMN Fc1ccc(CN2CC3(C2)C[C@H](F)CS3)c2occc21 ZINC001236898574 1131029278 /nfs/dbraw/zinc/02/92/78/1131029278.db2.gz NOGZLMVTEIUIJO-NSHDSACASA-N 0 1 295.354 3.601 20 0 CHADMN CC(=CC(=O)Nc1ccccc1Nc1ccncc1)C1CC1 ZINC000798253857 1131032502 /nfs/dbraw/zinc/03/25/02/1131032502.db2.gz OOWBHSRBHCWEDY-SEYXRHQNSA-N 0 1 293.370 3.542 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CCN[C@@H](C(F)(F)F)C1 ZINC001236981055 1131033731 /nfs/dbraw/zinc/03/37/31/1131033731.db2.gz KSRRGADWNVNGII-UONOGXRCSA-N 0 1 292.389 3.595 20 0 CHADMN CC1CN(Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001237014491 1131036525 /nfs/dbraw/zinc/03/65/25/1131036525.db2.gz IZZIPAYTSYYDKJ-UHFFFAOYSA-N 0 1 272.779 3.854 20 0 CHADMN CC[C@H]1CCCN1Cc1cc(O)c(C)cc1Br ZINC001237304198 1131081402 /nfs/dbraw/zinc/08/14/02/1131081402.db2.gz KZFJEVGCMXHJCV-LBPRGKRZSA-N 0 1 298.224 3.838 20 0 CHADMN F[C@@H]1CSC2(CN(Cc3ccc(C4CCC4)cc3)C2)C1 ZINC001237105967 1131051017 /nfs/dbraw/zinc/05/10/17/1131051017.db2.gz BFJZBFVLVLVZFV-INIZCTEOSA-N 0 1 291.435 3.984 20 0 CHADMN c1cc(C2CCC2)ccc1CN1CCCCC12COC2 ZINC001237110901 1131051960 /nfs/dbraw/zinc/05/19/60/1131051960.db2.gz NICJOFCNYBFVRB-UHFFFAOYSA-N 0 1 271.404 3.709 20 0 CHADMN Cc1ccc(CN[C@H]2CCCc3cccnc32)cc1F ZINC000798926917 1131061935 /nfs/dbraw/zinc/06/19/35/1131061935.db2.gz NVOIWKYANNDYAM-INIZCTEOSA-N 0 1 270.351 3.696 20 0 CHADMN Cc1c(CN2CCC(OC(C)C)CC2)ccc(F)c1F ZINC001237162288 1131062455 /nfs/dbraw/zinc/06/24/55/1131062455.db2.gz UAWGAGJBNTYSMR-UHFFFAOYSA-N 0 1 283.362 3.663 20 0 CHADMN Fc1c(Cl)cccc1CN1CC[C@@H](c2ccccn2)C1 ZINC000798965473 1131066975 /nfs/dbraw/zinc/06/69/75/1131066975.db2.gz SRVJGMFKRCZZSC-GFCCVEGCSA-N 0 1 290.769 3.864 20 0 CHADMN COc1cccc(CN2CCCC[C@H]2C)c1Cl ZINC001237186383 1131067023 /nfs/dbraw/zinc/06/70/23/1131067023.db2.gz YVXRRPOHIALZII-LLVKDONJSA-N 0 1 253.773 3.723 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1ccc2cccccc1-2 ZINC001237189201 1131067226 /nfs/dbraw/zinc/06/72/26/1131067226.db2.gz AOGWJCUFIMYTND-KSSFIOAISA-N 0 1 299.414 3.811 20 0 CHADMN C[N@H+](CCc1ccc(Cl)cc1)Cc1occc1[S-] ZINC001237193134 1131068311 /nfs/dbraw/zinc/06/83/11/1131068311.db2.gz YHXCEZZXFDLNSL-UHFFFAOYSA-N 0 1 281.808 3.896 20 0 CHADMN C[N@@H+](CCc1ccc(Cl)cc1)Cc1occc1[S-] ZINC001237193134 1131068315 /nfs/dbraw/zinc/06/83/15/1131068315.db2.gz YHXCEZZXFDLNSL-UHFFFAOYSA-N 0 1 281.808 3.896 20 0 CHADMN Cc1ccc(Cl)c(CN2CCNC3=CCCC[C@@H]32)c1F ZINC001237217691 1131071067 /nfs/dbraw/zinc/07/10/67/1131071067.db2.gz CNNCRORBTSOOKC-HNNXBMFYSA-N 0 1 294.801 3.629 20 0 CHADMN C[C@H]1CCN(Cc2cnc(Cl)cn2)CC12CCCCC2 ZINC000799164744 1131072425 /nfs/dbraw/zinc/07/24/25/1131072425.db2.gz OKRAHMJNTWTDOG-ZDUSSCGKSA-N 0 1 293.842 3.922 20 0 CHADMN COc1nc(Cl)ccc1CN1CC[C@H]2CCCC[C@@H]2C1 ZINC001237246451 1131074493 /nfs/dbraw/zinc/07/44/93/1131074493.db2.gz CZJVEBNRXBHTKY-CHWSQXEVSA-N 0 1 294.826 3.756 20 0 CHADMN CCC1CCN(Cc2ccncc2C(F)(F)F)CC1 ZINC001237284675 1131077036 /nfs/dbraw/zinc/07/70/36/1131077036.db2.gz DLWLWBJPZCVUPA-UHFFFAOYSA-N 0 1 272.314 3.722 20 0 CHADMN Clc1ccnc2ccc(CN3CCC[C@H]4C[C@H]43)cc12 ZINC001237274860 1131077597 /nfs/dbraw/zinc/07/75/97/1131077597.db2.gz LUZITUHTSFCFIU-BLLLJJGKSA-N 0 1 272.779 3.873 20 0 CHADMN Cc1ccc([C@H](C)NCc2cc(C(F)(F)F)n[nH]2)s1 ZINC000799335062 1131080974 /nfs/dbraw/zinc/08/09/74/1131080974.db2.gz MQLMEOIJCXAOJU-QMMMGPOBSA-N 0 1 289.326 3.649 20 0 CHADMN Cc1cc(Br)c(CN2CCC(C)(C)C2)cc1O ZINC001237304248 1131081365 /nfs/dbraw/zinc/08/13/65/1131081365.db2.gz MPHNAQFTSYUBHH-UHFFFAOYSA-N 0 1 298.224 3.695 20 0 CHADMN CCCC[C@@H](CC)CC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000816406959 1131086517 /nfs/dbraw/zinc/08/65/17/1131086517.db2.gz JDYXUHSRTXBXLT-GFCCVEGCSA-N 0 1 295.427 3.752 20 0 CHADMN CCCC[C@@H](CC)CC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000816406959 1131086523 /nfs/dbraw/zinc/08/65/23/1131086523.db2.gz JDYXUHSRTXBXLT-GFCCVEGCSA-N 0 1 295.427 3.752 20 0 CHADMN CSc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000799496524 1131090823 /nfs/dbraw/zinc/09/08/23/1131090823.db2.gz MRNJFEQJFDUABL-UHFFFAOYSA-N 0 1 292.448 3.613 20 0 CHADMN FC(F)[C@@H]1CCCN(Cc2cnc(-c3ccccc3)o2)C1 ZINC001237374966 1131092299 /nfs/dbraw/zinc/09/22/99/1131092299.db2.gz VZECHWODWJRXHG-CYBMUJFWSA-N 0 1 292.329 3.819 20 0 CHADMN CC(=O)Nc1ccccc1CN(C)C/C=C/c1ccccc1 ZINC001237414158 1131096427 /nfs/dbraw/zinc/09/64/27/1131096427.db2.gz RVFLLODWRYFHMX-DHZHZOJOSA-N 0 1 294.398 3.790 20 0 CHADMN C[C@H](NCc1nccc2ccccc21)c1cccc(O)c1 ZINC000799715677 1131104034 /nfs/dbraw/zinc/10/40/34/1131104034.db2.gz IDXNEBGOPFEVNK-ZDUSSCGKSA-N 0 1 278.355 3.791 20 0 CHADMN Oc1cccc(F)c1-c1ncc(C(F)(F)F)cc1F ZINC001245652295 1131104052 /nfs/dbraw/zinc/10/40/52/1131104052.db2.gz YKXVIHPWKONFQL-UHFFFAOYSA-N 0 1 275.176 3.751 20 0 CHADMN CCN(Cc1c(F)cccc1Cl)[C@H]1CCCOCC1 ZINC001170832653 1131105229 /nfs/dbraw/zinc/10/52/29/1131105229.db2.gz BZVFJLREBKOAHH-LBPRGKRZSA-N 0 1 285.790 3.870 20 0 CHADMN COc1c(C)cccc1CN1CCC(C(F)(F)F)CC1 ZINC001237501534 1131106738 /nfs/dbraw/zinc/10/67/38/1131106738.db2.gz SOZQUDWSDMWQEB-UHFFFAOYSA-N 0 1 287.325 3.778 20 0 CHADMN COc1c(C)cccc1CN1CCC[C@@H]1c1cccnc1 ZINC001237502140 1131106869 /nfs/dbraw/zinc/10/68/69/1131106869.db2.gz YUORFSFKCZSAHT-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN Oc1cccc(F)c1-c1ccc2cccc(F)c2n1 ZINC001245654168 1131107257 /nfs/dbraw/zinc/10/72/57/1131107257.db2.gz SUXYFCWVXWLWOS-UHFFFAOYSA-N 0 1 257.239 3.886 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1cccc2c(F)cccc12 ZINC001237521149 1131108979 /nfs/dbraw/zinc/10/89/79/1131108979.db2.gz IGSRBQCPOONKAQ-YPMHNXCESA-N 0 1 261.315 3.911 20 0 CHADMN CC(C)[C@H]1CN(Cc2cccc3c(F)cccc23)CCO1 ZINC001237517339 1131109375 /nfs/dbraw/zinc/10/93/75/1131109375.db2.gz GOGAEZJXSBIMTB-GOSISDBHSA-N 0 1 287.378 3.836 20 0 CHADMN C[C@@H]1CN(Cc2cccc3c(F)cccc23)[C@H](C)CO1 ZINC001237516782 1131109412 /nfs/dbraw/zinc/10/94/12/1131109412.db2.gz ANNZKLSQBMQFMQ-CHWSQXEVSA-N 0 1 273.351 3.588 20 0 CHADMN CCc1nnc(SCCSC2CCCCC2)[nH]1 ZINC000799880358 1131111767 /nfs/dbraw/zinc/11/17/67/1131111767.db2.gz NMGQVIKWYYHRHB-UHFFFAOYSA-N 0 1 271.455 3.525 20 0 CHADMN CCc1n[nH]c(SCCSC2CCCCC2)n1 ZINC000799880358 1131111772 /nfs/dbraw/zinc/11/17/72/1131111772.db2.gz NMGQVIKWYYHRHB-UHFFFAOYSA-N 0 1 271.455 3.525 20 0 CHADMN CCCN(CCc1cccs1)Cc1cnn(C)c1Cl ZINC000816570461 1131112342 /nfs/dbraw/zinc/11/23/42/1131112342.db2.gz VAVCSBMZJGPRAM-UHFFFAOYSA-N 0 1 297.855 3.590 20 0 CHADMN FC[C@H]1CCCN1Cc1cccc(-c2ccccc2)n1 ZINC001237555112 1131113982 /nfs/dbraw/zinc/11/39/82/1131113982.db2.gz WZJVIKAWOQIABS-MRXNPFEDSA-N 0 1 270.351 3.683 20 0 CHADMN CC(=O)C1CCN(Cc2cccc(-c3ccccc3)n2)CC1 ZINC001237547242 1131114322 /nfs/dbraw/zinc/11/43/22/1131114322.db2.gz RHPBPMALPNJZIM-UHFFFAOYSA-N 0 1 294.398 3.550 20 0 CHADMN CN(Cc1ccc2ncnc(Cl)c2c1)C1CC(F)(F)C1 ZINC001237592717 1131117413 /nfs/dbraw/zinc/11/74/13/1131117413.db2.gz RFVFGXRCWOQEOM-UHFFFAOYSA-N 0 1 297.736 3.513 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1cnc(-c2cccs2)s1 ZINC000816647190 1131118717 /nfs/dbraw/zinc/11/87/17/1131118717.db2.gz ORZRWHRNTLJXLV-VHSXEESVSA-N 0 1 264.419 3.712 20 0 CHADMN Cc1ccnc2cccc(CN3CCc4ncsc4C3)c12 ZINC001237630139 1131120647 /nfs/dbraw/zinc/12/06/47/1131120647.db2.gz LOTHTGFIUAXJQO-UHFFFAOYSA-N 0 1 295.411 3.558 20 0 CHADMN COc1cc(O)ccc1-c1nc2ccc(Cl)cc2[nH]1 ZINC001115858328 1131121560 /nfs/dbraw/zinc/12/15/60/1131121560.db2.gz QLPYCWMPZPXPQF-UHFFFAOYSA-N 0 1 274.707 3.598 20 0 CHADMN Cc1coc(CN2CCC[C@H]2c2cc(C)cc(C)c2)n1 ZINC001237637492 1131122425 /nfs/dbraw/zinc/12/24/25/1131122425.db2.gz CUQAVJCLEKGCCB-INIZCTEOSA-N 0 1 270.376 3.937 20 0 CHADMN CC(C)CCc1noc(CN2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC001115897205 1131122715 /nfs/dbraw/zinc/12/27/15/1131122715.db2.gz WKTKANXNZVBAHJ-GJZGRUSLSA-N 0 1 291.439 3.670 20 0 CHADMN CCc1n[nH]cc1CN(CC)Cc1ccc(C)c(C)c1 ZINC001237654188 1131124561 /nfs/dbraw/zinc/12/45/61/1131124561.db2.gz YPAUHHWBYCCOMO-UHFFFAOYSA-N 0 1 271.408 3.611 20 0 CHADMN Cc1cc(CNCc2ccc(OC3CCCCC3)cc2)[nH]n1 ZINC001116013910 1131125321 /nfs/dbraw/zinc/12/53/21/1131125321.db2.gz YJZIAKPAVJOSLI-UHFFFAOYSA-N 0 1 299.418 3.719 20 0 CHADMN CCc1nc[nH]c1C(=O)Nc1ccccc1-c1ccccc1 ZINC001135705231 1131130178 /nfs/dbraw/zinc/13/01/78/1131130178.db2.gz WWUQYTFBAKOTOB-UHFFFAOYSA-N 0 1 291.354 3.891 20 0 CHADMN CSCCN(C)Cc1cc(C)cc(C)c1Cl ZINC001237703093 1131131040 /nfs/dbraw/zinc/13/10/40/1131131040.db2.gz YKDLSLVAWZUMJW-UHFFFAOYSA-N 0 1 257.830 3.752 20 0 CHADMN Cc1cc(C)c(Cl)c(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c1 ZINC001237704076 1131131583 /nfs/dbraw/zinc/13/15/83/1131131583.db2.gz FELGNJAMAHSRLQ-ZFWWWQNUSA-N 0 1 291.822 3.758 20 0 CHADMN Cc1cc(CN2C[C@H](F)C[C@H]2C)ccc1OC(C)C ZINC001237719782 1131134014 /nfs/dbraw/zinc/13/40/14/1131134014.db2.gz XVSXZZQXMMICDF-UKRRQHHQSA-N 0 1 265.372 3.715 20 0 CHADMN CN(Cc1ccc(Cl)cc1)Cc1cccc2c1OCC2 ZINC001237748862 1131138366 /nfs/dbraw/zinc/13/83/66/1131138366.db2.gz GGRWYLWJHUNBRJ-UHFFFAOYSA-N 0 1 287.790 3.907 20 0 CHADMN CSCCN(C)Cc1cc(-c2cccc(Cl)c2)no1 ZINC001237779148 1131139215 /nfs/dbraw/zinc/13/92/15/1131139215.db2.gz UACWDYIKGQSGHY-UHFFFAOYSA-N 0 1 296.823 3.790 20 0 CHADMN Cc1cc(CN2C[C@@H]3CCCC[C@]32c2ccccc2)nn1C ZINC001116303516 1131139562 /nfs/dbraw/zinc/13/95/62/1131139562.db2.gz XVFDJAWEQLEMIC-HKUYNNGSSA-N 0 1 295.430 3.630 20 0 CHADMN COc1ccc(CN(C)CC2CCCCC2)c(Cl)n1 ZINC001237797742 1131141310 /nfs/dbraw/zinc/14/13/10/1131141310.db2.gz PFHFBUMWXALTMG-UHFFFAOYSA-N 0 1 282.815 3.756 20 0 CHADMN Cc1nc(CN2CCC3(CC[C@@H](F)C3)CC2)ccc1F ZINC001237819733 1131144311 /nfs/dbraw/zinc/14/43/11/1131144311.db2.gz LEPSCEDDMYRINE-CYBMUJFWSA-N 0 1 280.362 3.633 20 0 CHADMN Cc1nc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)ccc1F ZINC001237820804 1131144406 /nfs/dbraw/zinc/14/44/06/1131144406.db2.gz PPMFRKSOZVAFBV-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1cc(C[N@H+]2CCCCC[C@H]2c2ccccc2)n[nH]1 ZINC001116444248 1131147076 /nfs/dbraw/zinc/14/70/76/1131147076.db2.gz OTDBMRSTOLSPDP-KRWDZBQOSA-N 0 1 269.392 3.835 20 0 CHADMN CCC1CCN(Cc2[nH]c(-c3ccc[nH]3)cc2OC)CC1 ZINC001237877929 1131147843 /nfs/dbraw/zinc/14/78/43/1131147843.db2.gz LQOOJQRVAAWQOQ-UHFFFAOYSA-N 0 1 287.407 3.640 20 0 CHADMN CCCCCC[C@H](C)NC(=O)c1ccc2cncn2c1C ZINC001116487550 1131150386 /nfs/dbraw/zinc/15/03/86/1131150386.db2.gz UBZYSNBRKQKZAX-ZDUSSCGKSA-N 0 1 287.407 3.731 20 0 CHADMN CCCOc1cc(F)ccc1CN1CCCOC(C)(C)C1 ZINC001237904115 1131150741 /nfs/dbraw/zinc/15/07/41/1131150741.db2.gz FJNZEXMKNPLQCZ-UHFFFAOYSA-N 0 1 295.398 3.615 20 0 CHADMN CCOc1cc(F)cc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001237914468 1131151664 /nfs/dbraw/zinc/15/16/64/1131151664.db2.gz YHKAEHBNDRNQSM-BETUJISGSA-N 0 1 299.336 3.702 20 0 CHADMN CCOc1cc(F)cc(CN2CC(c3ccccc3)C2)c1 ZINC001237919791 1131151906 /nfs/dbraw/zinc/15/19/06/1131151906.db2.gz JEAGTHQBSPKPII-UHFFFAOYSA-N 0 1 285.362 3.824 20 0 CHADMN CCCC[C@H](NC(=O)c1ccc2cncn2c1C)C1CCC1 ZINC001116531085 1131153173 /nfs/dbraw/zinc/15/31/73/1131153173.db2.gz ZJHGKOMZZWFWPD-KRWDZBQOSA-N 0 1 299.418 3.731 20 0 CHADMN Cc1c(C(=O)N2CCCC[C@@H]2CC(C)C)ccc2cncn21 ZINC001116538664 1131153779 /nfs/dbraw/zinc/15/37/79/1131153779.db2.gz WFOINWUMHQWNTO-OAHLLOKOSA-N 0 1 299.418 3.684 20 0 CHADMN CSc1ccc(F)c(-c2cc3[nH]nnc3cc2F)c1 ZINC001245749658 1131154706 /nfs/dbraw/zinc/15/47/06/1131154706.db2.gz XPXMPQYLCMFHFE-UHFFFAOYSA-N 0 1 277.299 3.625 20 0 CHADMN CCCOC1CCN(Cc2ccc(OCC)c(F)c2)CC1 ZINC001237958122 1131155167 /nfs/dbraw/zinc/15/51/67/1131155167.db2.gz PWOZTQIMRHAVNX-UHFFFAOYSA-N 0 1 295.398 3.615 20 0 CHADMN Cc1sccc1C[N@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001237974270 1131156262 /nfs/dbraw/zinc/15/62/62/1131156262.db2.gz OFLHXTIVIOSSJK-ZDUSSCGKSA-N 0 1 295.448 3.610 20 0 CHADMN CCCN(CC)Cc1csc(-c2ccc(O)cc2)n1 ZINC001237976870 1131156411 /nfs/dbraw/zinc/15/64/11/1131156411.db2.gz AFTXZSHBWZDVOJ-UHFFFAOYSA-N 0 1 276.405 3.748 20 0 CHADMN Cc1sccc1C[N@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001237975312 1131157183 /nfs/dbraw/zinc/15/71/83/1131157183.db2.gz ZIJPAAKKSTXSKA-INIZCTEOSA-N 0 1 285.412 3.761 20 0 CHADMN Oc1c(F)cc(CN2CCc3sccc3C2)cc1Cl ZINC001237985388 1131158625 /nfs/dbraw/zinc/15/86/25/1131158625.db2.gz WLXZPWLQTUDVGV-UHFFFAOYSA-N 0 1 297.782 3.805 20 0 CHADMN CCCc1[nH]ncc1C(=O)Nc1cccc(C(F)F)c1 ZINC001116640496 1131159083 /nfs/dbraw/zinc/15/90/83/1131159083.db2.gz AQSBYRZKAIKZAI-UHFFFAOYSA-N 0 1 279.290 3.552 20 0 CHADMN Clc1ccc2c(c1)n[nH]c2CN1CCC[C@H]2CCC[C@@H]21 ZINC001238000619 1131159230 /nfs/dbraw/zinc/15/92/30/1131159230.db2.gz LYQVHLVINCUJDI-BZNIZROVSA-N 0 1 289.810 3.981 20 0 CHADMN CCOc1cc(CN2CCCC[C@H](F)C2)ccc1C ZINC001238066937 1131166247 /nfs/dbraw/zinc/16/62/47/1131166247.db2.gz FHFJBMWRVIMVTL-HNNXBMFYSA-N 0 1 265.372 3.718 20 0 CHADMN CCOc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)ccc1C ZINC001238071962 1131167643 /nfs/dbraw/zinc/16/76/43/1131167643.db2.gz PCEDCGCPADDTQY-CYBMUJFWSA-N 0 1 287.325 3.778 20 0 CHADMN CCOc1cc(CN2CC[C@@H](C(F)(F)F)C2)ccc1C ZINC001238071962 1131167645 /nfs/dbraw/zinc/16/76/45/1131167645.db2.gz PCEDCGCPADDTQY-CYBMUJFWSA-N 0 1 287.325 3.778 20 0 CHADMN Cc1c(CO)ccc(Nc2ccc3c[nH]nc3c2)c1Cl ZINC001159663160 1131169632 /nfs/dbraw/zinc/16/96/32/1131169632.db2.gz RROHXEKZTQMXRA-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1ccc(O)cc1C[N@H+]1CC[C@@H](Oc2ccccc2C)C1 ZINC001238099573 1131170389 /nfs/dbraw/zinc/17/03/89/1131170389.db2.gz RROOAJSNZNIEMO-GOSISDBHSA-N 0 1 297.398 3.662 20 0 CHADMN Cc1c(C(=O)N(C)[C@@H](C)C2CCCCC2)ccc2cncn21 ZINC001116926916 1131171038 /nfs/dbraw/zinc/17/10/38/1131171038.db2.gz RJLFISARIWBKPI-ZDUSSCGKSA-N 0 1 299.418 3.684 20 0 CHADMN C[C@@H]1CCCCC[N@H+]1Cc1cc(Cl)c([O-])cc1F ZINC001238146209 1131173991 /nfs/dbraw/zinc/17/39/91/1131173991.db2.gz FRXCANFKJSELMF-SNVBAGLBSA-N 0 1 271.763 3.949 20 0 CHADMN CCc1nc(CN[C@H](C)Cc2ccc(F)cc2Cl)co1 ZINC000817590566 1131174810 /nfs/dbraw/zinc/17/48/10/1131174810.db2.gz YLHABROLFDSQQZ-SNVBAGLBSA-N 0 1 296.773 3.750 20 0 CHADMN CCC(CC)[N@@H+](C)Cc1cc(Cl)c([O-])cc1F ZINC001238149249 1131174924 /nfs/dbraw/zinc/17/49/24/1131174924.db2.gz IPLDXQGIKDCXLA-UHFFFAOYSA-N 0 1 259.752 3.805 20 0 CHADMN CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1C)[C@H](C)CC ZINC001238134464 1131174994 /nfs/dbraw/zinc/17/49/94/1131174994.db2.gz FPEOGNHNLLEFEI-CYBMUJFWSA-N 0 1 263.381 3.704 20 0 CHADMN C[N@H+](Cc1cc(Cl)c([O-])cc1F)C[C@@H]1CC1(C)C ZINC001238150380 1131175083 /nfs/dbraw/zinc/17/50/83/1131175083.db2.gz SQOOGBSCGGXWBF-JTQLQIEISA-N 0 1 271.763 3.663 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]1Cc1cc(Cl)c([O-])cc1F ZINC001238155263 1131176674 /nfs/dbraw/zinc/17/66/74/1131176674.db2.gz NMEXZMFBGMLRGV-ZDUSSCGKSA-N 0 1 271.763 3.805 20 0 CHADMN c1ccc(O[C@@H]2CCN(Cc3cncc(C4CC4)c3)C2)cc1 ZINC001238183987 1131177361 /nfs/dbraw/zinc/17/73/61/1131177361.db2.gz GSUXERFTEMKBQH-LJQANCHMSA-N 0 1 294.398 3.612 20 0 CHADMN CN(Cc1ccc(F)cc1)Cc1cncc(C2CC2)c1 ZINC001238185179 1131177856 /nfs/dbraw/zinc/17/78/56/1131177856.db2.gz AVIVWPPIGJVVQU-UHFFFAOYSA-N 0 1 270.351 3.730 20 0 CHADMN Cc1cccc2c1CCN(Cc1cncc(C3CC3)c1)C2 ZINC001238182238 1131178514 /nfs/dbraw/zinc/17/85/14/1131178514.db2.gz QUODUBRAFXFMIU-UHFFFAOYSA-N 0 1 278.399 3.826 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cncc(C3CC3)c2)cn1 ZINC001238195221 1131179696 /nfs/dbraw/zinc/17/96/96/1131179696.db2.gz XBLRCRZFIJFCDE-LJQANCHMSA-N 0 1 293.414 4.000 20 0 CHADMN CC(=O)[C@@H]1CCN(Cc2ccc(Cl)c(C(C)C)c2)C1 ZINC001238226347 1131184458 /nfs/dbraw/zinc/18/44/58/1131184458.db2.gz TZEHGNCEUSCMMP-CQSZACIVSA-N 0 1 279.811 3.874 20 0 CHADMN CC(C)c1cc(CN2C[C@@H]3CCO[C@@H]3C2)ccc1Cl ZINC001238226390 1131185066 /nfs/dbraw/zinc/18/50/66/1131185066.db2.gz VLHRECGVMWOZCM-XJKSGUPXSA-N 0 1 279.811 3.684 20 0 CHADMN Cc1c(N)ccnc1-c1cnc(Cl)c(Cl)c1Cl ZINC001245805021 1131185186 /nfs/dbraw/zinc/18/51/86/1131185186.db2.gz YPKIZPLOXKZMNX-UHFFFAOYSA-N 0 1 288.565 3.994 20 0 CHADMN CCOc1cc(Br)cc(CN2CC[C@@H](C)C2)c1 ZINC001238246765 1131185973 /nfs/dbraw/zinc/18/59/73/1131185973.db2.gz KHUBLRXAYSQGNJ-LLVKDONJSA-N 0 1 298.224 3.690 20 0 CHADMN CCOc1cc(Br)cc(CN2CCC[C@@H]2C)c1 ZINC001238245661 1131186259 /nfs/dbraw/zinc/18/62/59/1131186259.db2.gz OKLXQNCYXSVOGW-NSHDSACASA-N 0 1 298.224 3.832 20 0 CHADMN COC[C@H]1CCN(Cc2cc(Cl)c(Cl)cc2C)C1 ZINC001238262402 1131187412 /nfs/dbraw/zinc/18/74/12/1131187412.db2.gz IYNSMGYDUVAXJB-NSHDSACASA-N 0 1 288.218 3.770 20 0 CHADMN CCO[C@H]1CCCN(Cc2cccc(F)c2OC(C)C)C1 ZINC001238318376 1131189861 /nfs/dbraw/zinc/18/98/61/1131189861.db2.gz DXSMZHAKNJOKOR-HNNXBMFYSA-N 0 1 295.398 3.614 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CCCC[C@@H]1C ZINC001238328172 1131191444 /nfs/dbraw/zinc/19/14/44/1131191444.db2.gz FCQPCOVZGYWIPQ-ZDUSSCGKSA-N 0 1 265.372 3.987 20 0 CHADMN c1ccc(COc2cncc(CN3CCC4(CC4)C3)c2)cc1 ZINC001238368666 1131192825 /nfs/dbraw/zinc/19/28/25/1131192825.db2.gz ZAQZYGCBUIEQNC-UHFFFAOYSA-N 0 1 294.398 3.647 20 0 CHADMN COc1ccccc1C(C)(C)NCc1cccn1C1CC1 ZINC001117744146 1131195076 /nfs/dbraw/zinc/19/50/76/1131195076.db2.gz XEYKZPPPXSHEAC-UHFFFAOYSA-N 0 1 284.403 3.857 20 0 CHADMN C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1cccn1C1CC1 ZINC001117744341 1131195127 /nfs/dbraw/zinc/19/51/27/1131195127.db2.gz FPVMJFZKUQTWLV-NEPJUHHUSA-N 0 1 286.341 3.986 20 0 CHADMN Cc1cc(CN2CC[C@H]3CCC[C@H]3C2)ncc1Cl ZINC001238419497 1131196868 /nfs/dbraw/zinc/19/68/68/1131196868.db2.gz OJCUXHCCUUXVRX-OLZOCXBDSA-N 0 1 264.800 3.665 20 0 CHADMN CC(C)Oc1cccc(CN2CCC[C@@H](F)CC2)c1F ZINC001238421219 1131196881 /nfs/dbraw/zinc/19/68/81/1131196881.db2.gz BSJXVAZWEZSKRO-CQSZACIVSA-N 0 1 283.362 3.937 20 0 CHADMN c1cn(CCc2ccccc2)nc1CN1CC2CCC1CC2 ZINC001117756956 1131197524 /nfs/dbraw/zinc/19/75/24/1131197524.db2.gz MQUIYWLCBUODOZ-UHFFFAOYSA-N 0 1 295.430 3.500 20 0 CHADMN Cc1ccc(CN(C)Cc2ncc(C)cc2C)cc1 ZINC001238428043 1131198554 /nfs/dbraw/zinc/19/85/54/1131198554.db2.gz FGQRLGPSVUOJHZ-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN Cc1ccc2c(c1)CCN(Cc1ncc(C)cc1C)C2 ZINC001238434737 1131200294 /nfs/dbraw/zinc/20/02/94/1131200294.db2.gz GQRKWUNUUKAFCF-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN Cc1cnc(CN(C)Cc2cccc3cccnc32)c(C)c1 ZINC001238433814 1131200496 /nfs/dbraw/zinc/20/04/96/1131200496.db2.gz UAIXIRBOUCQSKX-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN CC(C)Oc1ccc(CN2CC[C@@](C)(CF)C2)c(F)c1 ZINC001238445019 1131200583 /nfs/dbraw/zinc/20/05/83/1131200583.db2.gz RISGAUUNEMDIRR-INIZCTEOSA-N 0 1 283.362 3.794 20 0 CHADMN CCCCC1CCN(Cc2cnc(F)c(OC)c2)CC1 ZINC001238456631 1131201848 /nfs/dbraw/zinc/20/18/48/1131201848.db2.gz OGJYSYKDPIFNMD-UHFFFAOYSA-N 0 1 280.387 3.632 20 0 CHADMN COc1c(CN2CCC[C@H]3CCC[C@@H]32)ccc(F)c1F ZINC001238473570 1131206057 /nfs/dbraw/zinc/20/60/57/1131206057.db2.gz RPIYEKAFIUBWEZ-RISCZKNCSA-N 0 1 281.346 3.738 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc(F)c(C2CC2)c1 ZINC001238498157 1131208470 /nfs/dbraw/zinc/20/84/70/1131208470.db2.gz IOBAQPPXCFPGQZ-UHFFFAOYSA-N 0 1 270.351 3.730 20 0 CHADMN Cc1c(Cl)ccc(CN2CC[C@]3(C2)CCCOC3)c1F ZINC001238517715 1131212406 /nfs/dbraw/zinc/21/24/06/1131212406.db2.gz JSZMOTIBIPYRPK-INIZCTEOSA-N 0 1 297.801 3.790 20 0 CHADMN CC(C)Oc1c(F)ccc(CN2CCC[C@H]2C)c1F ZINC001238527259 1131213297 /nfs/dbraw/zinc/21/32/97/1131213297.db2.gz JAEDVEPKMMDYPE-LLVKDONJSA-N 0 1 269.335 3.736 20 0 CHADMN CO[C@H]1CCN(Cc2ccc(Cl)c(C)c2F)[C@H](C)C1 ZINC001238523156 1131213315 /nfs/dbraw/zinc/21/33/15/1131213315.db2.gz SFIQQYHNGUIGCY-MFKMUULPSA-N 0 1 285.790 3.787 20 0 CHADMN Cc1c(Cl)ccc(CN2C[C@@H]3C(=O)CCC[C@@H]3C2)c1F ZINC001238521615 1131213612 /nfs/dbraw/zinc/21/36/12/1131213612.db2.gz LOQAGRVKGLVZPZ-YPMHNXCESA-N 0 1 295.785 3.589 20 0 CHADMN Fc1ccc(CN2CC[C@]23CCOC3)cc1-c1ccccc1 ZINC001238547758 1131214485 /nfs/dbraw/zinc/21/44/85/1131214485.db2.gz DBXSANVLYRWXLI-LJQANCHMSA-N 0 1 297.373 3.858 20 0 CHADMN COC[C@H]1CCN1Cc1ccc(F)c(-c2ccccc2)c1 ZINC001238548818 1131215617 /nfs/dbraw/zinc/21/56/17/1131215617.db2.gz NPYHTPIBTILSNW-MRXNPFEDSA-N 0 1 285.362 3.713 20 0 CHADMN COc1cc(C)cc(F)c1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001238588794 1131219236 /nfs/dbraw/zinc/21/92/36/1131219236.db2.gz OOJCZIBZXOTYQS-TXEJJXNPSA-N 0 1 299.336 3.620 20 0 CHADMN CC(C)Oc1cc(CN2CCCCC23CC3)cnc1F ZINC001238604905 1131221194 /nfs/dbraw/zinc/22/11/94/1131221194.db2.gz VPLXXCNAAMSGIW-UHFFFAOYSA-N 0 1 278.371 3.526 20 0 CHADMN COc1cc(CN2CCC[C@H]3C[C@H]32)c(-c2ccccc2)cn1 ZINC001238608759 1131221708 /nfs/dbraw/zinc/22/17/08/1131221708.db2.gz YNRAYDXWEZMQCE-MAUKXSAKSA-N 0 1 294.398 3.742 20 0 CHADMN Cc1cc(CN2CC3(C2)CCCC3)cnc1C1CC1 ZINC001238621729 1131225366 /nfs/dbraw/zinc/22/53/66/1131225366.db2.gz WQGIVYLFAAHVLI-UHFFFAOYSA-N 0 1 256.393 3.643 20 0 CHADMN OCc1ccc(-c2ccc3nc[nH]c3c2)c(Cl)c1F ZINC001245882068 1131229328 /nfs/dbraw/zinc/22/93/28/1131229328.db2.gz YVBFCQCRNFJLME-UHFFFAOYSA-N 0 1 276.698 3.515 20 0 CHADMN Oc1ccc(CN2CCc3ncsc3C2)c2ccccc12 ZINC001138061192 1131413910 /nfs/dbraw/zinc/41/39/10/1131413910.db2.gz HRVDOEYNXXXXFN-UHFFFAOYSA-N 0 1 296.395 3.560 20 0 CHADMN CCOC(=O)C(C)(C)CCC[C@@H](C)NCC(F)(F)CC ZINC001474631089 1131416659 /nfs/dbraw/zinc/41/66/59/1131416659.db2.gz WWNXLNROFOBVRA-GFCCVEGCSA-N 0 1 293.398 3.769 20 0 CHADMN CC(C)c1ccoc1-c1noc([C@@H]2C[C@H](C)CCN2)n1 ZINC000823242861 1131420600 /nfs/dbraw/zinc/42/06/00/1131420600.db2.gz GIYIVKAYRFNTGF-PWSUYJOCSA-N 0 1 275.352 3.514 20 0 CHADMN Fc1cc(CN2CCC[C@@H]2Cc2ccccc2)c(F)cn1 ZINC000823395146 1131425193 /nfs/dbraw/zinc/42/51/93/1131425193.db2.gz MTJUPNUOGMVBIF-OAHLLOKOSA-N 0 1 288.341 3.567 20 0 CHADMN Fc1c(CN2CCC[C@@H]2C2CCC2)ccnc1Cl ZINC000823428362 1131426143 /nfs/dbraw/zinc/42/61/43/1131426143.db2.gz GBHXHZITQMYYIQ-GFCCVEGCSA-N 0 1 268.763 3.639 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1cc(F)ncc1F)C1CC1 ZINC000823438303 1131427046 /nfs/dbraw/zinc/42/70/46/1131427046.db2.gz SXCASGONNJAAEU-MNOVXSKESA-N 0 1 268.351 3.759 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1ccnc(Cl)c1F ZINC000823709125 1131437832 /nfs/dbraw/zinc/43/78/32/1131437832.db2.gz KLSJKOXOIYLZCY-AWEZNQCLSA-N 0 1 290.769 3.960 20 0 CHADMN Fc1ccc(CN2CCC[C@H]3CCC[C@H]32)c(F)c1F ZINC001137940351 1131439119 /nfs/dbraw/zinc/43/91/19/1131439119.db2.gz TWHKCDMVHLLXSH-ZWNOBZJWSA-N 0 1 269.310 3.868 20 0 CHADMN CC1(C)CN(CCC(=O)C2CC2)[C@@H]1c1cccs1 ZINC000805840072 1131442480 /nfs/dbraw/zinc/44/24/80/1131442480.db2.gz WQCIVRCGRGASFD-CQSZACIVSA-N 0 1 263.406 3.500 20 0 CHADMN Fc1ccc(F)c(CN2C[C@@H]3CCC[C@@H]3C2)c1Cl ZINC001137999447 1131449226 /nfs/dbraw/zinc/44/92/26/1131449226.db2.gz IINSIHXXWRQVRZ-AOOOYVTPSA-N 0 1 271.738 3.850 20 0 CHADMN CCCCC[C@@](C)(CC)C(=O)N(C)Cc1cn[nH]c1C ZINC000824056279 1131452348 /nfs/dbraw/zinc/45/23/48/1131452348.db2.gz GWTNFXLAMRDXDF-MRXNPFEDSA-N 0 1 279.428 3.673 20 0 CHADMN Cc1ccc(Cl)c(CN2CC[C@@H]3OCCC[C@@H]3C2)c1F ZINC001138030998 1131455138 /nfs/dbraw/zinc/45/51/38/1131455138.db2.gz ZZBONUDEVRHKPT-DOMZBBRYSA-N 0 1 297.801 3.788 20 0 CHADMN CC(C)(CNCc1ccnc(Cl)c1F)C(F)(F)F ZINC000824339367 1131464854 /nfs/dbraw/zinc/46/48/54/1131464854.db2.gz UFBZXHUYIDNVKG-UHFFFAOYSA-N 0 1 284.684 3.552 20 0 CHADMN CO[C@@H]1CCN(Cc2c(Cl)ccc(C)c2F)[C@H](C)C1 ZINC001138036941 1131457276 /nfs/dbraw/zinc/45/72/76/1131457276.db2.gz CJJWQPKBXVWVIY-VXGBXAGGSA-N 0 1 285.790 3.787 20 0 CHADMN Cc1ccc(Nc2cncn2Cc2ccccc2)c(N)c1 ZINC001160340355 1131461378 /nfs/dbraw/zinc/46/13/78/1131461378.db2.gz IHVUMVHWEFQNSN-UHFFFAOYSA-N 0 1 278.359 3.566 20 0 CHADMN C[C@@H]1CCN(C(=O)c2ccc(Cl)c(O)c2)CC1(C)C ZINC001138110974 1131467168 /nfs/dbraw/zinc/46/71/68/1131467168.db2.gz FHIRRZACWOGWPA-SNVBAGLBSA-N 0 1 281.783 3.554 20 0 CHADMN CCOCC1CCN(Cc2c(F)ccc(C)c2F)CC1 ZINC001138119667 1131468769 /nfs/dbraw/zinc/46/87/69/1131468769.db2.gz OBVJMGIAAJDUPN-UHFFFAOYSA-N 0 1 283.362 3.522 20 0 CHADMN Cc1ccc(F)c(CN(C)CC2CC(F)(F)C2)c1F ZINC001138119461 1131469160 /nfs/dbraw/zinc/46/91/60/1131469160.db2.gz DKFRKKBXXIKHJW-UHFFFAOYSA-N 0 1 275.289 3.750 20 0 CHADMN C[C@@H]1CN(CC[C@H]2CC2(Cl)Cl)CC2(CCCC2)O1 ZINC000830860153 1131470803 /nfs/dbraw/zinc/47/08/03/1131470803.db2.gz KCARLTIDXDXBKT-NEPJUHHUSA-N 0 1 292.250 3.604 20 0 CHADMN C[C@@H]1CN(Cc2c(C3CCC3)cnn2C)Cc2ccccc21 ZINC000824528981 1131472436 /nfs/dbraw/zinc/47/24/36/1131472436.db2.gz FKQJFKLMTGMDKS-CQSZACIVSA-N 0 1 295.430 3.807 20 0 CHADMN C/C(=C\c1ccc(Cl)cc1)CN[C@@H]1CCn2ccnc21 ZINC000824525964 1131472552 /nfs/dbraw/zinc/47/25/52/1131472552.db2.gz GCBULKVGYZGOBT-HBIYDYFMSA-N 0 1 287.794 3.674 20 0 CHADMN Cc1cccc2nc(CNC(=O)O[C@@H](C)CC(C)C)[nH]c21 ZINC000830996108 1131474359 /nfs/dbraw/zinc/47/43/59/1131474359.db2.gz SPNWFJGBZFCAON-LBPRGKRZSA-N 0 1 289.379 3.532 20 0 CHADMN FC[C@H]1CCCN1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171059401 1131474573 /nfs/dbraw/zinc/47/45/73/1131474573.db2.gz OTPMICNTAVZNNM-CHWSQXEVSA-N 0 1 267.775 3.631 20 0 CHADMN C[C@]1(CNCc2csc(C3CC3)n2)CC1(Cl)Cl ZINC000824765429 1131482780 /nfs/dbraw/zinc/48/27/80/1131482780.db2.gz LAJUJXPFCNYBSB-LLVKDONJSA-N 0 1 291.247 3.694 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1nc2ccccc2s1 ZINC001136955122 1131486928 /nfs/dbraw/zinc/48/69/28/1131486928.db2.gz WNVBTPZLWKOWES-NWDGAFQWSA-N 0 1 260.406 3.917 20 0 CHADMN Cc1ccc2c(CN3CCC(=O)[C@H]4CCCC[C@@H]43)c[nH]c2c1 ZINC001136969340 1131488856 /nfs/dbraw/zinc/48/88/56/1131488856.db2.gz MDMUHKYPLWPJIY-WMZOPIPTSA-N 0 1 296.414 3.810 20 0 CHADMN Cc1cccn2c(CN3CCC[C@@H]4CCCC[C@@H]43)cnc12 ZINC001136964434 1131489137 /nfs/dbraw/zinc/48/91/37/1131489137.db2.gz QWKFQNQBARJKGV-RDJZCZTQSA-N 0 1 283.419 3.797 20 0 CHADMN CCCCC1CCN(Cc2cc(O)cc(O)c2)CC1 ZINC001138325323 1131491330 /nfs/dbraw/zinc/49/13/30/1131491330.db2.gz KQKWBBLBGLZYFU-UHFFFAOYSA-N 0 1 263.381 3.500 20 0 CHADMN Cc1nc2c(s1)CN(Cc1c[nH]c3cc(C)ccc13)CC2 ZINC001136974530 1131491676 /nfs/dbraw/zinc/49/16/76/1131491676.db2.gz CFYXCLKTSIFPFJ-UHFFFAOYSA-N 0 1 297.427 3.800 20 0 CHADMN Oc1cc(O)cc(CN2CCC(c3cccs3)CC2)c1 ZINC001138330062 1131492416 /nfs/dbraw/zinc/49/24/16/1131492416.db2.gz SKPCZWQVWCBIRL-UHFFFAOYSA-N 0 1 289.400 3.539 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1cc(O)cc(O)c1 ZINC001138331192 1131492424 /nfs/dbraw/zinc/49/24/24/1131492424.db2.gz QIZMXZGRPJXLEV-NSHDSACASA-N 0 1 291.778 3.944 20 0 CHADMN CCc1cccc2c(CN3CCO[C@H](C(C)C)C3)c[nH]c21 ZINC001138363171 1131495354 /nfs/dbraw/zinc/49/53/54/1131495354.db2.gz FPWDHCRPLSLGOY-KRWDZBQOSA-N 0 1 286.419 3.587 20 0 CHADMN COc1ncc(CN2Cc3ccccc3C(C)(C)C2)cc1C ZINC001137008186 1131503164 /nfs/dbraw/zinc/50/31/64/1131503164.db2.gz SCCXGKNQLWLLBI-UHFFFAOYSA-N 0 1 296.414 3.692 20 0 CHADMN COc1c(F)cc(CN2CCC[C@H](C)[C@H]2C)cc1F ZINC001138423956 1131503726 /nfs/dbraw/zinc/50/37/26/1131503726.db2.gz HPHYYDLOZUFZKF-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN CCOc1ccc(CN2CCOc3ccccc3C2)c(C)c1 ZINC001138434059 1131505113 /nfs/dbraw/zinc/50/51/13/1131505113.db2.gz IBOAXFRMDKXEST-UHFFFAOYSA-N 0 1 297.398 3.788 20 0 CHADMN CC(C)(C)C[C@H]1CCN(Cc2coc(C3CC3)n2)C1 ZINC000825321641 1131506658 /nfs/dbraw/zinc/50/66/58/1131506658.db2.gz JSVZHDAYVFFAFR-GFCCVEGCSA-N 0 1 262.397 3.810 20 0 CHADMN COc1ccc(CN(Cc2cccc(C)c2C)C2CC2)cn1 ZINC001137039895 1131512589 /nfs/dbraw/zinc/51/25/89/1131512589.db2.gz RSTDNSBINIVUAW-UHFFFAOYSA-N 0 1 296.414 3.872 20 0 CHADMN Cc1nn(Cc2ccccc2)c(C)c1CN1CC2(CCC2)C1 ZINC001138502877 1131513595 /nfs/dbraw/zinc/51/35/95/1131513595.db2.gz JTJSCIZUXOHPMK-UHFFFAOYSA-N 0 1 295.430 3.534 20 0 CHADMN CCCc1ccc(CN2CC[C@@H](C)[C@H](F)C2)s1 ZINC001138523708 1131514354 /nfs/dbraw/zinc/51/43/54/1131514354.db2.gz MUWDWAMYPKOAGT-BXUZGUMPSA-N 0 1 255.402 3.881 20 0 CHADMN Cc1cc(C)cc(NC(=O)Nc2ncc(Cl)cc2O)c1 ZINC001202835636 1131514806 /nfs/dbraw/zinc/51/48/06/1131514806.db2.gz LKEVWUQQLCZUNF-UHFFFAOYSA-N 0 1 291.738 3.701 20 0 CHADMN Clc1cccc2c1CN(Cc1ccc3nc[nH]c3c1)CC2 ZINC001137047721 1131514788 /nfs/dbraw/zinc/51/47/88/1131514788.db2.gz IJPRRMUNKUINHC-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN CCCc1ccc(CN2CCCC(=O)[C@@H](C)C2)s1 ZINC001138523952 1131516469 /nfs/dbraw/zinc/51/64/69/1131516469.db2.gz TXLLVOMQQHMREU-LBPRGKRZSA-N 0 1 265.422 3.502 20 0 CHADMN CC[C@H](C)CC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831892975 1131517811 /nfs/dbraw/zinc/51/78/11/1131517811.db2.gz SVLOBYIDJVRTPJ-KBPBESRZSA-N 0 1 291.439 3.675 20 0 CHADMN CC/C=C(/F)C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831884674 1131517857 /nfs/dbraw/zinc/51/78/57/1131517857.db2.gz JLCVFTPCMHTILD-DTCSVVGVSA-N 0 1 293.386 3.503 20 0 CHADMN CC(C)=C(C)C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831905560 1131518351 /nfs/dbraw/zinc/51/83/51/1131518351.db2.gz WEFKBYIKTGPGKX-AWEZNQCLSA-N 0 1 289.423 3.595 20 0 CHADMN COc1ccc(CN2CCC[C@@H]2C)cc1C(F)(F)F ZINC001143629088 1131519420 /nfs/dbraw/zinc/51/94/20/1131519420.db2.gz SBQRFYYFAZHKSA-JTQLQIEISA-N 0 1 273.298 3.698 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CCCCCCCC1 ZINC000831926921 1131520947 /nfs/dbraw/zinc/52/09/47/1131520947.db2.gz ZAXMHNJBDHTRKF-GFCCVEGCSA-N 0 1 263.385 3.664 20 0 CHADMN Cc1cnc(CN2CCC[C@H](C)CC2)cc1Br ZINC001143651391 1131521528 /nfs/dbraw/zinc/52/15/28/1131521528.db2.gz YNUYBWQFNKEKNG-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN Cc1cc(CN2CCC(=O)[C@H]3CCCC[C@@H]32)c(C)s1 ZINC001138567314 1131522540 /nfs/dbraw/zinc/52/25/40/1131522540.db2.gz APARWALOFPIQJS-GJZGRUSLSA-N 0 1 277.433 3.699 20 0 CHADMN F[C@@H]1CCN(Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001138582562 1131523210 /nfs/dbraw/zinc/52/32/10/1131523210.db2.gz ZTGAJZXLIALBBN-OAHLLOKOSA-N 0 1 295.361 3.569 20 0 CHADMN COc1ccc(-c2cccc(CN(C)C3(C)COC3)c2)cc1 ZINC001138617251 1131526717 /nfs/dbraw/zinc/52/67/17/1131526717.db2.gz CXZDYWCJLORHOY-UHFFFAOYSA-N 0 1 297.398 3.583 20 0 CHADMN CC1(CCC(=O)Nc2cc(F)cc(Cl)c2O)CC1 ZINC001138644015 1131531702 /nfs/dbraw/zinc/53/17/02/1131531702.db2.gz AWRGCTIKBNLJNF-UHFFFAOYSA-N 0 1 271.719 3.704 20 0 CHADMN CCCn1ncc(CN2Cc3ccccc3C[C@@H]2C)c1C ZINC001138640487 1131531781 /nfs/dbraw/zinc/53/17/81/1131531781.db2.gz SRQITMNJXSVJHG-AWEZNQCLSA-N 0 1 283.419 3.548 20 0 CHADMN CCCn1ncc(CN(C)C/C=C/c2ccccc2)c1C ZINC001138640534 1131532149 /nfs/dbraw/zinc/53/21/49/1131532149.db2.gz VJQVOFOZRKVCFR-DHZHZOJOSA-N 0 1 283.419 3.747 20 0 CHADMN Fc1ccc(-n2cc(CN3CCCCC34CC4)cn2)cc1 ZINC001138652503 1131532977 /nfs/dbraw/zinc/53/29/77/1131532977.db2.gz FHEIQZAUPWOWON-UHFFFAOYSA-N 0 1 285.366 3.530 20 0 CHADMN CCCN(C)Cc1ccc(Cl)c(OCC)c1F ZINC001143824349 1131536047 /nfs/dbraw/zinc/53/60/47/1131536047.db2.gz ATBZNKGRHJGXLL-UHFFFAOYSA-N 0 1 259.752 3.720 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1c(Cl)[nH]c2ccccc21 ZINC001138687163 1131537606 /nfs/dbraw/zinc/53/76/06/1131537606.db2.gz YFPLUQIMIXGPAI-PHIMTYICSA-N 0 1 288.778 3.517 20 0 CHADMN CSc1ncc(CN2CCC(c3ccccc3)CC2)cn1 ZINC001138704508 1131538876 /nfs/dbraw/zinc/53/88/76/1131538876.db2.gz IQHUTCSUNXROCG-UHFFFAOYSA-N 0 1 299.443 3.578 20 0 CHADMN c1cc2c(s1)CCN(Cc1ccc3c(c1)CCCO3)C2 ZINC001138714521 1131540687 /nfs/dbraw/zinc/54/06/87/1131540687.db2.gz QURHERZSUDADJG-UHFFFAOYSA-N 0 1 285.412 3.631 20 0 CHADMN O[C@@H](c1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1)C1CC1 ZINC000844234927 1131541565 /nfs/dbraw/zinc/54/15/65/1131541565.db2.gz QRRZRYQNMZSBQJ-ZDUSSCGKSA-N 0 1 282.265 3.539 20 0 CHADMN CCc1cccc2cc(CN3C[C@@H]4C[C@@H]4C3)c(Cl)nc21 ZINC001138726845 1131542336 /nfs/dbraw/zinc/54/23/36/1131542336.db2.gz PHVLSZKISRBFRW-OKILXGFUSA-N 0 1 286.806 3.902 20 0 CHADMN c1cc2cc(CN3CC[C@H]3c3ccccc3)cnc2[nH]1 ZINC001138737201 1131543927 /nfs/dbraw/zinc/54/39/27/1131543927.db2.gz DVJWSJVAYSUBAV-INIZCTEOSA-N 0 1 263.344 3.510 20 0 CHADMN COc1cc(Cl)cc(CN2CC3CCC2CC3)c1OC ZINC001138746103 1131544734 /nfs/dbraw/zinc/54/47/34/1131544734.db2.gz OODZDWBPJBOTPJ-UHFFFAOYSA-N 0 1 295.810 3.732 20 0 CHADMN Fc1ncccc1CN1CCC(Cc2ccccc2)CC1 ZINC001138784667 1131548902 /nfs/dbraw/zinc/54/89/02/1131548902.db2.gz IVOXVHKTRIXEKY-UHFFFAOYSA-N 0 1 284.378 3.675 20 0 CHADMN O[C@H](CN1CC2(CCC2)[C@H]1c1ccco1)c1ccccc1 ZINC000832226727 1131548972 /nfs/dbraw/zinc/54/89/72/1131548972.db2.gz YLTSWHYSPVHATA-NVXWUHKLSA-N 0 1 283.371 3.540 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)N(Cc2cc3n(n2)CCCC3)C1 ZINC000844329629 1131549400 /nfs/dbraw/zinc/54/94/00/1131549400.db2.gz IXNVJOYOJMWUQE-HNAYVOBHSA-N 0 1 295.430 3.803 20 0 CHADMN COc1ccc(Cl)c(CN2C[C@H](C)C[C@H](C)C2)c1F ZINC001143897863 1131549752 /nfs/dbraw/zinc/54/97/52/1131549752.db2.gz JKDLEFYLQZPQAB-PHIMTYICSA-N 0 1 285.790 3.966 20 0 CHADMN COc1ccc(CN2CCCC[C@@H](C)C2)c(F)c1F ZINC001143903916 1131550438 /nfs/dbraw/zinc/55/04/38/1131550438.db2.gz JMACOXKUFNNBMZ-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN COc1ccc(CN2CCC[C@@](C)(F)CC2)c(F)c1F ZINC001143903264 1131551201 /nfs/dbraw/zinc/55/12/01/1131551201.db2.gz DKBWFDQXSPGTQR-OAHLLOKOSA-N 0 1 287.325 3.688 20 0 CHADMN COc1ccc(CN2CCC[C@@H](C)[C@H]2C)c(F)c1F ZINC001143910771 1131552510 /nfs/dbraw/zinc/55/25/10/1131552510.db2.gz MAMTZARWWDYRKJ-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1ccnc(Cl)c1 ZINC001138820974 1131552523 /nfs/dbraw/zinc/55/25/23/1131552523.db2.gz RIOIWAHVQOIRGD-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN Cc1c(CN2CCC[C@@H]3C[C@@H]32)cccc1C(F)(F)F ZINC001143929544 1131553226 /nfs/dbraw/zinc/55/32/26/1131553226.db2.gz QQIBZCKIEQOBKG-RISCZKNCSA-N 0 1 269.310 3.998 20 0 CHADMN CC(C)c1nc(CN(C)CC2CC(F)(F)C2)cs1 ZINC001138887582 1131558449 /nfs/dbraw/zinc/55/84/49/1131558449.db2.gz GPGDSGVBVREQFF-UHFFFAOYSA-N 0 1 274.380 3.744 20 0 CHADMN C[C@H]1CCCN(Cc2ccc(Br)o2)C[C@H]1C ZINC001138903613 1131558807 /nfs/dbraw/zinc/55/88/07/1131558807.db2.gz DHPQTRVGYHCLMZ-WDEREUQCSA-N 0 1 286.213 3.910 20 0 CHADMN COc1ccc(F)c(CN2CCC[C@H](C)CC2)c1F ZINC001143969574 1131561344 /nfs/dbraw/zinc/56/13/44/1131561344.db2.gz DNRQHXFHTCSESD-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN FC1(F)CCCN(Cc2cnc3[nH]ccc3c2Cl)CC1 ZINC001138929400 1131561505 /nfs/dbraw/zinc/56/15/05/1131561505.db2.gz UYFJPBZJVFXWMB-UHFFFAOYSA-N 0 1 299.752 3.789 20 0 CHADMN Cc1c[nH]c(CN2CCC3(CCc4ccc(C)cc43)CC2)n1 ZINC001138937569 1131562075 /nfs/dbraw/zinc/56/20/75/1131562075.db2.gz DGPPSVDHGKIMJJ-UHFFFAOYSA-N 0 1 295.430 3.507 20 0 CHADMN COc1ccc(F)c(CN2CCC[C@@H]3CCC[C@@H]32)c1F ZINC001143979288 1131564528 /nfs/dbraw/zinc/56/45/28/1131564528.db2.gz YEVAJWRHOSVQNP-FZMZJTMJSA-N 0 1 281.346 3.738 20 0 CHADMN CCOc1ccc(CN2CCC(C)(F)CC2)c(OCC)c1 ZINC001138977523 1131567207 /nfs/dbraw/zinc/56/72/07/1131567207.db2.gz SWYVIYDNJFFGSE-UHFFFAOYSA-N 0 1 295.398 3.808 20 0 CHADMN CC(C)Oc1cccc(CN2CCCC[C@@H](F)C2)c1 ZINC001138983533 1131569098 /nfs/dbraw/zinc/56/90/98/1131569098.db2.gz VRAYLGTVLVWVCM-OAHLLOKOSA-N 0 1 265.372 3.798 20 0 CHADMN C[C@H]1CN(Cc2ccc(F)cn2)CCc2ccc(F)cc21 ZINC000844468744 1131569137 /nfs/dbraw/zinc/56/91/37/1131569137.db2.gz MBAYKZHEZDODTE-LBPRGKRZSA-N 0 1 288.341 3.522 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CCC[C@@H](CF)C1 ZINC001139009483 1131570697 /nfs/dbraw/zinc/57/06/97/1131570697.db2.gz NWSKSTQEWGJARX-LBPRGKRZSA-N 0 1 285.790 3.920 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CCC[C@H](CF)C1 ZINC001139009481 1131571354 /nfs/dbraw/zinc/57/13/54/1131571354.db2.gz NWSKSTQEWGJARX-GFCCVEGCSA-N 0 1 285.790 3.920 20 0 CHADMN CCOc1c(F)cc(CN2CCC(C)(C)CC2)cc1F ZINC001144024954 1131573589 /nfs/dbraw/zinc/57/35/89/1131573589.db2.gz AIDTUNKJYCZHQI-UHFFFAOYSA-N 0 1 283.362 3.986 20 0 CHADMN COc1cccc2c1CN(Cc1cc3ccccc3o1)CC2 ZINC001139060935 1131576660 /nfs/dbraw/zinc/57/66/60/1131576660.db2.gz HJJTWZPFCKKXSO-UHFFFAOYSA-N 0 1 293.366 4.000 20 0 CHADMN CSCCC(=O)Nc1cc(Cl)c(C)c(Cl)c1O ZINC001144054346 1131578918 /nfs/dbraw/zinc/57/89/18/1131578918.db2.gz ITNDLKLUDHPBKS-UHFFFAOYSA-N 0 1 294.203 3.699 20 0 CHADMN CCn1ccc2ccc(CN3CCC[C@](C)(F)C3)cc21 ZINC001139119369 1131583708 /nfs/dbraw/zinc/58/37/08/1131583708.db2.gz MYPQDPGRXIOAQY-KRWDZBQOSA-N 0 1 274.383 3.985 20 0 CHADMN COc1cc(O)ccc1CN(Cc1ccccc1)C1CC1 ZINC001139143226 1131585282 /nfs/dbraw/zinc/58/52/82/1131585282.db2.gz KSDWMHAUTPYHGH-UHFFFAOYSA-N 0 1 283.371 3.565 20 0 CHADMN COc1cc(O)ccc1CN(C)Cc1ccc(C)c(C)c1 ZINC001139145136 1131585869 /nfs/dbraw/zinc/58/58/69/1131585869.db2.gz RIBXNNHEJFHEDG-UHFFFAOYSA-N 0 1 285.387 3.650 20 0 CHADMN Fc1cc(F)c(CN2C[C@H]3CCC[C@@H]3C2)cc1Cl ZINC001144120238 1131587204 /nfs/dbraw/zinc/58/72/04/1131587204.db2.gz FBSGUDZTIBHYPW-NXEZZACHSA-N 0 1 271.738 3.850 20 0 CHADMN c1ccc2c(c1)CN(Cc1ccc3cccnc3c1)C2 ZINC001139163927 1131589987 /nfs/dbraw/zinc/58/99/87/1131589987.db2.gz ACTZHUKGRSOEFH-UHFFFAOYSA-N 0 1 260.340 3.751 20 0 CHADMN Cc1cccc2[nH]cc(CN(C)Cc3ccccn3)c21 ZINC001139191480 1131594085 /nfs/dbraw/zinc/59/40/85/1131594085.db2.gz SROXNJAJMVZYQA-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN CCN(Cc1ccc2ccn(C)c2c1)Cc1ccccn1 ZINC001139207040 1131597437 /nfs/dbraw/zinc/59/74/37/1131597437.db2.gz QTQCPPWOGCFZAB-UHFFFAOYSA-N 0 1 279.387 3.595 20 0 CHADMN F[C@H]1C[C@@H]2C[C@H]1CN2Cc1ccc(Oc2ccccc2)nc1 ZINC001139247504 1131599252 /nfs/dbraw/zinc/59/92/52/1131599252.db2.gz HJJUWDXHSAATKQ-ZOBUZTSGSA-N 0 1 298.361 3.806 20 0 CHADMN c1ccn(-c2ccc(CN3Cc4ccccc4C3)cc2)c1 ZINC001144238411 1131599767 /nfs/dbraw/zinc/59/97/67/1131599767.db2.gz OITXIGTYRDHQPM-UHFFFAOYSA-N 0 1 274.367 3.993 20 0 CHADMN COc1ccc(-c2ccc(CN3CC[C@H](F)C3)s2)cc1 ZINC001139286743 1131600674 /nfs/dbraw/zinc/60/06/74/1131600674.db2.gz VWSKDPQSYCUWIU-ZDUSSCGKSA-N 0 1 291.391 3.968 20 0 CHADMN CN(Cc1cccs1)Cc1ccc(-c2cnccn2)cc1 ZINC001139389230 1131605811 /nfs/dbraw/zinc/60/58/11/1131605811.db2.gz OFDXLSFLGDOIRO-UHFFFAOYSA-N 0 1 295.411 3.837 20 0 CHADMN FC1(F)CCCCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC001139553099 1131615820 /nfs/dbraw/zinc/61/58/20/1131615820.db2.gz JIOVGWUCYYBJIL-UHFFFAOYSA-N 0 1 291.345 3.698 20 0 CHADMN Fc1cccc([C@H]2CCN(Cc3cc(Cl)ccn3)C2)c1 ZINC001139566173 1131616277 /nfs/dbraw/zinc/61/62/77/1131616277.db2.gz SVXOEMMXDPFPOU-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN CCCN(Cc1cn2c(cccc2F)n1)Cc1ccccc1 ZINC001139566832 1131616337 /nfs/dbraw/zinc/61/63/37/1131616337.db2.gz CWFYTMKADCNHRT-UHFFFAOYSA-N 0 1 297.377 3.886 20 0 CHADMN CCCCN(CCC)Cc1ccnc(Cl)c1F ZINC001139663713 1131627208 /nfs/dbraw/zinc/62/72/08/1131627208.db2.gz VSGCNVQGKXJSPF-UHFFFAOYSA-N 0 1 258.768 3.886 20 0 CHADMN Fc1cccc2nc(CN3CCCCCCCC3)cn21 ZINC001139572067 1131617353 /nfs/dbraw/zinc/61/73/53/1131617353.db2.gz LJWPZVRTJGLXPS-UHFFFAOYSA-N 0 1 275.371 3.630 20 0 CHADMN CCc1cccc(CN(C)Cc2cnc3ccccn23)c1 ZINC001144319409 1131617817 /nfs/dbraw/zinc/61/78/17/1131617817.db2.gz ZAOPOGRQUXIGNP-UHFFFAOYSA-N 0 1 279.387 3.529 20 0 CHADMN Cc1cnc(Cl)c(CN2CCC[C@@H](C)[C@@H]2C)c1 ZINC001139589898 1131618713 /nfs/dbraw/zinc/61/87/13/1131618713.db2.gz KLIKFZOZCMBPBH-NEPJUHHUSA-N 0 1 252.789 3.664 20 0 CHADMN CCOc1ccc(CN(C)C2CC(F)(F)C2)cc1Cl ZINC001139593836 1131619299 /nfs/dbraw/zinc/61/92/99/1131619299.db2.gz XHAXKPCOZHMHNH-UHFFFAOYSA-N 0 1 289.753 3.968 20 0 CHADMN CCOc1ccc(C)cc1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001139599859 1131620528 /nfs/dbraw/zinc/62/05/28/1131620528.db2.gz ICICZGINGOAHFF-GASCZTMLSA-N 0 1 295.373 3.871 20 0 CHADMN COc1cc(CN(C)Cc2ccc(C)nc2)ccc1Cl ZINC001139615284 1131622748 /nfs/dbraw/zinc/62/27/48/1131622748.db2.gz BKBGLVFDHJJNJF-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN COc1ccc(CN(C)Cc2cccnc2)cc1C(C)C ZINC001139616960 1131622884 /nfs/dbraw/zinc/62/28/84/1131622884.db2.gz VOSWVSMBAADELJ-UHFFFAOYSA-N 0 1 284.403 3.846 20 0 CHADMN COc1cc(CN2CC3CCC2CC3)ccc1Cl ZINC001139614539 1131622904 /nfs/dbraw/zinc/62/29/04/1131622904.db2.gz JGWSIZGNYDWEHQ-UHFFFAOYSA-N 0 1 265.784 3.723 20 0 CHADMN COc1cc(CN2CCC[C@H](C(F)F)C2)ccc1Cl ZINC001139621574 1131623614 /nfs/dbraw/zinc/62/36/14/1131623614.db2.gz LYIBFFKYLSRMPT-NSHDSACASA-N 0 1 289.753 3.826 20 0 CHADMN CCOc1ccncc1CN1CCC[C@H]1c1ccccc1 ZINC001139630620 1131625182 /nfs/dbraw/zinc/62/51/82/1131625182.db2.gz MEEJQLWQTHOEBZ-KRWDZBQOSA-N 0 1 282.387 3.817 20 0 CHADMN C[C@H]1CN(Cc2ccc(-c3cccnc3)cc2)CCCC1=O ZINC001139639949 1131625663 /nfs/dbraw/zinc/62/56/63/1131625663.db2.gz MEXBLBHLMSKLTG-HNNXBMFYSA-N 0 1 294.398 3.550 20 0 CHADMN CC[C@H](NCc1ccncc1)c1ccc(F)cc1F ZINC000119605042 1131626723 /nfs/dbraw/zinc/62/67/23/1131626723.db2.gz VPHKSCDLGFFPFX-HNNXBMFYSA-N 0 1 262.303 3.601 20 0 CHADMN CC[C@@H](NCc1ccncc1)c1ccc(F)cc1F ZINC000119605132 1131627164 /nfs/dbraw/zinc/62/71/64/1131627164.db2.gz VPHKSCDLGFFPFX-OAHLLOKOSA-N 0 1 262.303 3.601 20 0 CHADMN Cc1nc2cc(C)ccn2c1C[N@H+]1CCCC[C@](C)(F)C1 ZINC001139675281 1131627502 /nfs/dbraw/zinc/62/75/02/1131627502.db2.gz PAPYTFPAFJTXQY-KRWDZBQOSA-N 0 1 289.398 3.665 20 0 CHADMN Cc1nc2cc(C)ccn2c1CN1CCCC[C@](C)(F)C1 ZINC001139675281 1131627506 /nfs/dbraw/zinc/62/75/06/1131627506.db2.gz PAPYTFPAFJTXQY-KRWDZBQOSA-N 0 1 289.398 3.665 20 0 CHADMN CCCCC1CCN(Cc2ncc(C)s2)CC1 ZINC001139810243 1131637317 /nfs/dbraw/zinc/63/73/17/1131637317.db2.gz LYOVUIAUMHFNNM-UHFFFAOYSA-N 0 1 252.427 3.854 20 0 CHADMN CCCC1CCN(Cc2ccc(C(=O)OC)cc2F)CC1 ZINC001144446415 1131637949 /nfs/dbraw/zinc/63/79/49/1131637949.db2.gz YPGQZHIFDRCFEW-UHFFFAOYSA-N 0 1 293.382 3.624 20 0 CHADMN c1ccc2c(c1)oc1c2cccc1CN1CC2(C1)CCCO2 ZINC001139856798 1131640968 /nfs/dbraw/zinc/64/09/68/1131640968.db2.gz VRWNBZRNIMWMSA-UHFFFAOYSA-N 0 1 293.366 3.951 20 0 CHADMN COc1cc(Cl)cc(CN2CCC(C)(F)CC2)c1 ZINC001144478358 1131641452 /nfs/dbraw/zinc/64/14/52/1131641452.db2.gz FQNGBEHASSLPGK-UHFFFAOYSA-N 0 1 271.763 3.673 20 0 CHADMN c1ccc2c(c1)oc1c2cccc1CN1C[C@H]2CC[C@@H]1CO2 ZINC001139862592 1131642057 /nfs/dbraw/zinc/64/20/57/1131642057.db2.gz VPMQDAKPTDBFJB-HUUCEWRRSA-N 0 1 293.366 3.949 20 0 CHADMN c1ccc2c(c1)oc1c2cccc1CN1C[C@@H]2C[C@H]1CO2 ZINC001139858371 1131642697 /nfs/dbraw/zinc/64/26/97/1131642697.db2.gz GTLHMFNZBXJWBY-KBPBESRZSA-N 0 1 279.339 3.559 20 0 CHADMN COc1cc(Cl)cc(CN2CC[C@]3(CC3(F)F)C2)c1 ZINC001144488823 1131644487 /nfs/dbraw/zinc/64/44/87/1131644487.db2.gz VGUZNCZAZQNDNT-ZDUSSCGKSA-N 0 1 287.737 3.580 20 0 CHADMN CCN(Cc1cc(Cl)cc(OC)c1)Cc1ccccn1 ZINC001144488611 1131645014 /nfs/dbraw/zinc/64/50/14/1131645014.db2.gz PYNFPVBNSUPFBZ-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN Fc1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c2ccccc12 ZINC001139890196 1131647489 /nfs/dbraw/zinc/64/74/89/1131647489.db2.gz QMCYEIYVSVEMSN-YLQAJVPDSA-N 0 1 273.326 3.769 20 0 CHADMN Cc1ncc(CN(C)Cc2ccc(F)c3ccccc23)cn1 ZINC001139892846 1131648429 /nfs/dbraw/zinc/64/84/29/1131648429.db2.gz YNFHTQGGSLVZNI-UHFFFAOYSA-N 0 1 295.361 3.709 20 0 CHADMN CC(=O)[C@@H]1CCCN1Cc1ccc(F)c2ccccc12 ZINC001139893847 1131649105 /nfs/dbraw/zinc/64/91/05/1131649105.db2.gz WPWQWKOXVZCRBY-KRWDZBQOSA-N 0 1 271.335 3.532 20 0 CHADMN Cc1ccc(CN2CCC[C@H](Oc3ccccc3C)C2)cn1 ZINC001139931814 1131650747 /nfs/dbraw/zinc/65/07/47/1131650747.db2.gz VRTYKRUETRDPKR-SFHVURJKSA-N 0 1 296.414 3.742 20 0 CHADMN Cc1ccc(CN2CCC(Oc3ccccc3C)CC2)cn1 ZINC001139929076 1131650851 /nfs/dbraw/zinc/65/08/51/1131650851.db2.gz MIGVHMDEMUYANL-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN [O-]c1cc(F)c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c(F)c1 ZINC001144541665 1131653628 /nfs/dbraw/zinc/65/36/28/1131653628.db2.gz JIHDZZDSLPMXCE-CYBMUJFWSA-N 0 1 289.325 3.660 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CC[C@@H](c3ccccc3)C2)c(F)c1 ZINC001144541665 1131653630 /nfs/dbraw/zinc/65/36/30/1131653630.db2.gz JIHDZZDSLPMXCE-CYBMUJFWSA-N 0 1 289.325 3.660 20 0 CHADMN Cc1nccc(N2CCC[C@@]3(CC3(F)F)C2)c1Cl ZINC000845742402 1131654328 /nfs/dbraw/zinc/65/43/28/1131654328.db2.gz KRWARWUHKNKPRM-GFCCVEGCSA-N 0 1 272.726 3.669 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC001140048598 1131658840 /nfs/dbraw/zinc/65/88/40/1131658840.db2.gz LWSOJAKALMXONY-GFCCVEGCSA-N 0 1 289.325 3.660 20 0 CHADMN Oc1ccc(F)c(CN2CC[C@@H](c3ccccc3F)C2)c1 ZINC001140048598 1131658842 /nfs/dbraw/zinc/65/88/42/1131658842.db2.gz LWSOJAKALMXONY-GFCCVEGCSA-N 0 1 289.325 3.660 20 0 CHADMN COc1c(Cl)cccc1CN1CCC12CCCC2 ZINC001140057744 1131660039 /nfs/dbraw/zinc/66/00/39/1131660039.db2.gz ZNAWYEOCKBARGG-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN COc1c(Cl)cccc1C[N@H+]1CCCC1(C)C ZINC001140055952 1131660080 /nfs/dbraw/zinc/66/00/80/1131660080.db2.gz BKSJKLVBJCHLLS-UHFFFAOYSA-N 0 1 253.773 3.723 20 0 CHADMN COc1ccc2n[nH]c(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)c2c1 ZINC001140069051 1131662073 /nfs/dbraw/zinc/66/20/73/1131662073.db2.gz HTLDQQBWQVOZMN-ACJLOTCBSA-N 0 1 299.418 3.726 20 0 CHADMN COc1ccc2n[nH]c(CN3CCC[C@H]4CCCC[C@@H]43)c2c1 ZINC001140069051 1131662080 /nfs/dbraw/zinc/66/20/80/1131662080.db2.gz HTLDQQBWQVOZMN-ACJLOTCBSA-N 0 1 299.418 3.726 20 0 CHADMN COc1ccc2[nH]nc(CN3CCC[C@H]4CCCC[C@@H]43)c2c1 ZINC001140069051 1131662085 /nfs/dbraw/zinc/66/20/85/1131662085.db2.gz HTLDQQBWQVOZMN-ACJLOTCBSA-N 0 1 299.418 3.726 20 0 CHADMN FC(F)(F)c1ccnc(CN2CC[C@H]3CCC[C@@H]3C2)c1 ZINC001140105174 1131664395 /nfs/dbraw/zinc/66/43/95/1131664395.db2.gz PPNMZLDBPCMJBZ-VXGBXAGGSA-N 0 1 284.325 3.722 20 0 CHADMN C[C@H]1CCCCCN1Cc1cc(C(F)(F)F)ccn1 ZINC001140107497 1131664509 /nfs/dbraw/zinc/66/45/09/1131664509.db2.gz ZDGCLPWTQSKASZ-NSHDSACASA-N 0 1 272.314 3.865 20 0 CHADMN C[C@@H]1CN(Cc2ccc(O)cc2F)Cc2ccccc21 ZINC001140124649 1131665939 /nfs/dbraw/zinc/66/59/39/1131665939.db2.gz SAQMPEIPNIUZPQ-GFCCVEGCSA-N 0 1 271.335 3.651 20 0 CHADMN Fc1cccc(CN2CC[C@@H](c3ccccc3Cl)C2)n1 ZINC001140133628 1131666405 /nfs/dbraw/zinc/66/64/05/1131666405.db2.gz AMSBCGMYRPGREE-GFCCVEGCSA-N 0 1 290.769 3.864 20 0 CHADMN FC(F)(F)[C@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC001140143344 1131667567 /nfs/dbraw/zinc/66/75/67/1131667567.db2.gz JMVFJCLZWTUCRV-ZDUSSCGKSA-N 0 1 280.293 3.619 20 0 CHADMN C[C@]1(F)CC[N@@H+](Cc2cccc3cnccc32)C[C@@H]1F ZINC001140143156 1131667802 /nfs/dbraw/zinc/66/78/02/1131667802.db2.gz TYRXEUJJZXKKMC-HOTGVXAUSA-N 0 1 276.330 3.507 20 0 CHADMN C[C@]1(F)CCN(Cc2cccc3cnccc32)C[C@@H]1F ZINC001140143156 1131667806 /nfs/dbraw/zinc/66/78/06/1131667806.db2.gz TYRXEUJJZXKKMC-HOTGVXAUSA-N 0 1 276.330 3.507 20 0 CHADMN CCCN(Cc1ncn2ccccc12)Cc1ccccc1 ZINC001144622435 1131669071 /nfs/dbraw/zinc/66/90/71/1131669071.db2.gz IFMNDLDJOZNTIM-UHFFFAOYSA-N 0 1 279.387 3.747 20 0 CHADMN COc1cc(CN2CCCC[C@](C)(F)C2)ccc1C ZINC001140156396 1131669334 /nfs/dbraw/zinc/66/93/34/1131669334.db2.gz FKSGVCKPYJXVKF-INIZCTEOSA-N 0 1 265.372 3.718 20 0 CHADMN CCn1c2ccccc2c2cc(Nc3nnco3)ccc21 ZINC001203007298 1131670610 /nfs/dbraw/zinc/67/06/10/1131670610.db2.gz SGODVMZPXBBYMO-UHFFFAOYSA-N 0 1 278.315 3.941 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCCc3ccccc3C2)cc1F ZINC001144657924 1131675805 /nfs/dbraw/zinc/67/58/05/1131675805.db2.gz NJPNEJSXGPXOEY-UHFFFAOYSA-N 0 1 289.325 3.619 20 0 CHADMN CCCN(CCC)c1ccc(NCc2cocn2)cc1 ZINC000846058573 1131679246 /nfs/dbraw/zinc/67/92/46/1131679246.db2.gz QWNJUZLXPNSZRS-UHFFFAOYSA-N 0 1 273.380 3.913 20 0 CHADMN C[C@H]1CC(C)(C)CN1Cc1noc2c1CC(C)(C)CC2 ZINC001171208707 1131684768 /nfs/dbraw/zinc/68/47/68/1131684768.db2.gz TTWDFSHPOQZGOL-LBPRGKRZSA-N 0 1 276.424 3.810 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)Cc1ccncc1O ZINC001140281627 1131687861 /nfs/dbraw/zinc/68/78/61/1131687861.db2.gz FKUHQVGIARNLNC-NSHDSACASA-N 0 1 276.767 3.634 20 0 CHADMN c1coc(CN(Cc2cccc3cc[nH]c32)C2CC2)c1 ZINC001144718639 1131689440 /nfs/dbraw/zinc/68/94/40/1131689440.db2.gz UTXNVUGPQWEFFP-UHFFFAOYSA-N 0 1 266.344 3.926 20 0 CHADMN CN(Cc1nc2ccccc2o1)Cc1cccc2cc[nH]c21 ZINC001144717439 1131689512 /nfs/dbraw/zinc/68/95/12/1131689512.db2.gz RKESVCDWADJLBW-UHFFFAOYSA-N 0 1 291.354 3.941 20 0 CHADMN Fc1ccc(/C=C/C[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000846106353 1131691157 /nfs/dbraw/zinc/69/11/57/1131691157.db2.gz ADNJDTBWQPEMAJ-BQTXGFLSSA-N 0 1 281.321 3.960 20 0 CHADMN Fc1ccc(/C=C/C[N@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000846106355 1131691394 /nfs/dbraw/zinc/69/13/94/1131691394.db2.gz ADNJDTBWQPEMAJ-KZTTYJGESA-N 0 1 281.321 3.960 20 0 CHADMN c1cc2c(o1)CCN(Cc1ccccc1-c1cccnc1)C2 ZINC001140320649 1131696329 /nfs/dbraw/zinc/69/63/29/1131696329.db2.gz MKFPFPVGYRMJSJ-UHFFFAOYSA-N 0 1 290.366 3.900 20 0 CHADMN CN(Cc1cncs1)Cc1ccccc1-c1cccnc1 ZINC001140319262 1131696361 /nfs/dbraw/zinc/69/63/61/1131696361.db2.gz WEOXCKODOJYKQK-UHFFFAOYSA-N 0 1 295.411 3.837 20 0 CHADMN CN(Cc1ccc2scnc2c1)Cc1cccc(O)c1 ZINC001144732816 1131697192 /nfs/dbraw/zinc/69/71/92/1131697192.db2.gz NGFZCCMYYGVHAW-UHFFFAOYSA-N 0 1 284.384 3.634 20 0 CHADMN Cc1ccc2[nH]nc(CN3CCC[C@H]3c3ccccn3)c2c1 ZINC001140330449 1131700045 /nfs/dbraw/zinc/70/00/45/1131700045.db2.gz AOQWOBRGWARMAP-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCC[C@H]3c3ccccn3)c2c1 ZINC001140330449 1131700048 /nfs/dbraw/zinc/70/00/48/1131700048.db2.gz AOQWOBRGWARMAP-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1ccc2[nH]nc(CN3CC4(C3)CCCCC4)c2c1 ZINC001140333143 1131700422 /nfs/dbraw/zinc/70/04/22/1131700422.db2.gz CQABDUIJEKJJCD-UHFFFAOYSA-N 0 1 269.392 3.637 20 0 CHADMN Cc1ccc2n[nH]c(CN3CC4(C3)CCCCC4)c2c1 ZINC001140333143 1131700424 /nfs/dbraw/zinc/70/04/24/1131700424.db2.gz CQABDUIJEKJJCD-UHFFFAOYSA-N 0 1 269.392 3.637 20 0 CHADMN CC1CCC(C[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000846249381 1131704355 /nfs/dbraw/zinc/70/43/55/1131704355.db2.gz OLLZHOGNJNGRPB-XUJLQICISA-N 0 1 275.392 3.570 20 0 CHADMN O=C([O-])[C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(C3CCC3)cc1)C2 ZINC000846283894 1131705152 /nfs/dbraw/zinc/70/51/52/1131705152.db2.gz KABLPAQFVMNRTP-MJGOQNOKSA-N 0 1 299.414 3.641 20 0 CHADMN Cc1cc(Cl)ccc1C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000846275725 1131705573 /nfs/dbraw/zinc/70/55/73/1131705573.db2.gz VFNOOYACGSDNBH-AWEZNQCLSA-N 0 1 283.799 3.580 20 0 CHADMN CC(C)Cc1ccc(C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000846274185 1131705491 /nfs/dbraw/zinc/70/54/91/1131705491.db2.gz IJNSFPWCWLBCMH-KRWDZBQOSA-N 0 1 291.435 3.816 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCCc3c(F)cccc32)n(C)n1 ZINC000834815487 1131707822 /nfs/dbraw/zinc/70/78/22/1131707822.db2.gz WCVMAVZOOMRHKR-WBMJQRKESA-N 0 1 287.382 3.596 20 0 CHADMN F[C@H]1CN(Cc2ccc(-c3ccccn3)cc2)C[C@@H]2C[C@@H]21 ZINC001140379627 1131708813 /nfs/dbraw/zinc/70/88/13/1131708813.db2.gz VHJHNCDNMZFNSH-ULQDDVLXSA-N 0 1 282.362 3.538 20 0 CHADMN CN(Cc1ccc(-c2ccccn2)cc1)Cc1ccccn1 ZINC001140376876 1131708985 /nfs/dbraw/zinc/70/89/85/1131708985.db2.gz NQXDBFHDTKNZDY-UHFFFAOYSA-N 0 1 289.382 3.776 20 0 CHADMN CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1ccc2c(c1)CCO2 ZINC000834895758 1131720820 /nfs/dbraw/zinc/72/08/20/1131720820.db2.gz DUXQHLTUDDWAKO-VBNZEHGJSA-N 0 1 297.402 3.565 20 0 CHADMN COc1ccc([C@H](C)N(C)CC2(Br)CC2)cc1 ZINC000846760292 1131723110 /nfs/dbraw/zinc/72/31/10/1131723110.db2.gz ONHPUAHIUPPNOU-NSHDSACASA-N 0 1 298.224 3.616 20 0 CHADMN CC[N@H+]1CCC[C@@H](Oc2nc(-c3ccccc3)cs2)C1 ZINC001227690244 1131723271 /nfs/dbraw/zinc/72/32/71/1131723271.db2.gz JDMGCBOGYDRLRU-CQSZACIVSA-N 0 1 288.416 3.673 20 0 CHADMN CC[C@H](Oc1nc(=O)[nH]c2c1CO[C@@H]2C)C1CCCCC1 ZINC001227716044 1131728896 /nfs/dbraw/zinc/72/88/96/1131728896.db2.gz JEZVMYHZRSYUOO-MFKMUULPSA-N 0 1 292.379 3.511 20 0 CHADMN CN(Cc1c[nH]c2cccc(Cl)c12)Cc1cccnc1 ZINC001140433815 1131734538 /nfs/dbraw/zinc/73/45/38/1131734538.db2.gz RZGKJRGIGZSICF-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN C[C@@H]1C(=O)CCN(Cc2ccc3c(c2)CCC3)C12CCCC2 ZINC001203036104 1131736617 /nfs/dbraw/zinc/73/66/17/1131736617.db2.gz WPIKFXDFSBVFDR-OAHLLOKOSA-N 0 1 297.442 3.899 20 0 CHADMN Cc1ccc(Cl)nc1CN1CC[C@H](C)C(F)(F)CC1 ZINC001140442048 1131738032 /nfs/dbraw/zinc/73/80/32/1131738032.db2.gz VSXKORVEXCZRIL-NSHDSACASA-N 0 1 288.769 3.911 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2ccccc2-c2nccs2)C1 ZINC001140449386 1131742881 /nfs/dbraw/zinc/74/28/81/1131742881.db2.gz MQSYMCKBJDXNDU-JSGCOSHPSA-N 0 1 290.407 3.990 20 0 CHADMN C[C@@H]1CN(CC2(Br)CC2)[C@H]1c1ccccc1 ZINC000846812627 1131744948 /nfs/dbraw/zinc/74/49/48/1131744948.db2.gz VRPCUQRJDRVRRM-DGCLKSJQSA-N 0 1 280.209 3.607 20 0 CHADMN c1nsnc1CN1C[C@@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000846860032 1131746547 /nfs/dbraw/zinc/74/65/47/1131746547.db2.gz BPNSVBINIFIXHO-IKGGRYGDSA-N 0 1 299.443 3.696 20 0 CHADMN CCC[C@H](Oc1[nH]c(=O)nc2cc[nH]c21)c1ccccc1 ZINC001227810782 1131746745 /nfs/dbraw/zinc/74/67/45/1131746745.db2.gz XWXGDTDZINSKHR-ZDUSSCGKSA-N 0 1 283.331 3.584 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2cnc(Cl)c(F)c2)C1 ZINC000846853180 1131750612 /nfs/dbraw/zinc/75/06/12/1131750612.db2.gz SAQCUNCXUSNEGI-NSHDSACASA-N 0 1 270.779 3.742 20 0 CHADMN COc1cc(F)cc(CN(C)Cc2ccc(F)cc2)c1 ZINC001140477430 1131758246 /nfs/dbraw/zinc/75/82/46/1131758246.db2.gz DMWUOCWYSNQZQQ-UHFFFAOYSA-N 0 1 277.314 3.605 20 0 CHADMN CC(=O)c1ccc(OC2CCN(C3CC3)CC2)cc1Cl ZINC001227904596 1131765336 /nfs/dbraw/zinc/76/53/36/1131765336.db2.gz QKDXHWGINITWQT-UHFFFAOYSA-N 0 1 293.794 3.548 20 0 CHADMN CN(Cc1c(F)cc(F)cc1F)CC1CCCC1 ZINC001140534441 1131782597 /nfs/dbraw/zinc/78/25/97/1131782597.db2.gz MKRDQHNLDXDRDP-UHFFFAOYSA-N 0 1 257.299 3.726 20 0 CHADMN Fc1cc(Cl)cc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1 ZINC001140536588 1131784045 /nfs/dbraw/zinc/78/40/45/1131784045.db2.gz GFXYTIDYVAVYMZ-PHIMTYICSA-N 0 1 289.728 3.956 20 0 CHADMN COCC[C@@H]1CCCCN1Cc1cc(F)cc(Cl)c1 ZINC001140538010 1131784260 /nfs/dbraw/zinc/78/42/60/1131784260.db2.gz BKOJMOJJPFYXFK-HNNXBMFYSA-N 0 1 285.790 3.870 20 0 CHADMN Cc1ncc(C(=O)N(C)[C@H](C)c2cccc3ccccc32)[nH]1 ZINC001146868600 1131801079 /nfs/dbraw/zinc/80/10/79/1131801079.db2.gz FHWXTZQAKKRKIN-GFCCVEGCSA-N 0 1 293.370 3.705 20 0 CHADMN CCN(Cc1ccc(O)c(C)c1)Cc1ccccc1F ZINC001140577759 1131804855 /nfs/dbraw/zinc/80/48/55/1131804855.db2.gz MFIMFBIOZYMBSW-UHFFFAOYSA-N 0 1 273.351 3.862 20 0 CHADMN Cc1nc2ccc(O[C@H](C)COc3ccccc3)cc2[nH]1 ZINC001228328069 1131858626 /nfs/dbraw/zinc/85/86/26/1131858626.db2.gz ZVYPOZLZSREXDD-GFCCVEGCSA-N 0 1 282.343 3.718 20 0 CHADMN Cc1nc2ccc(O[C@H]3COCc4ccccc43)cc2[nH]1 ZINC001228327750 1131859674 /nfs/dbraw/zinc/85/96/74/1131859674.db2.gz UTNHGKQCCWWKQN-KRWDZBQOSA-N 0 1 280.327 3.522 20 0 CHADMN CCCCC[C@@H]1CCCCN1C(=O)[C@@H]1CCN1C(C)(C)C ZINC001148506009 1131860735 /nfs/dbraw/zinc/86/07/35/1131860735.db2.gz RIFSDQIUJFLQRR-CVEARBPZSA-N 0 1 294.483 3.821 20 0 CHADMN O=C(CCCC1CCCCC1)Nc1ccc2[nH]nnc2c1 ZINC001149027583 1131879533 /nfs/dbraw/zinc/87/95/33/1131879533.db2.gz ZHJHXOSIZATFLZ-UHFFFAOYSA-N 0 1 286.379 3.647 20 0 CHADMN Fc1cc(CN2C[C@@H]3CCC[C@H]3C2)c(F)cc1Cl ZINC001140699234 1131880534 /nfs/dbraw/zinc/88/05/34/1131880534.db2.gz IBZYGSWNCGPDHX-UWVGGRQHSA-N 0 1 271.738 3.850 20 0 CHADMN CCCC(=O)c1ccc(OC2CCN(C3CC3)CC2)cc1 ZINC001228461934 1131888079 /nfs/dbraw/zinc/88/80/79/1131888079.db2.gz AYJWVSXRFUIMAB-UHFFFAOYSA-N 0 1 287.403 3.675 20 0 CHADMN CC1(C)CN(Cc2cc(Cl)ccc2N)CCC1(F)F ZINC001140716183 1131891137 /nfs/dbraw/zinc/89/11/37/1131891137.db2.gz HDNFYSOTGFXSIC-UHFFFAOYSA-N 0 1 288.769 3.789 20 0 CHADMN CC[C@@H](NCc1cc(C)c(O)c(C)c1)c1c(C)noc1C ZINC000348143597 1131892570 /nfs/dbraw/zinc/89/25/70/1131892570.db2.gz POQKBIYNOPWFJR-OAHLLOKOSA-N 0 1 288.391 3.855 20 0 CHADMN C[C@H](c1cn(-c2ccccc2)nn1)N1CCCC2(CCC2)C1 ZINC000348164825 1131894154 /nfs/dbraw/zinc/89/41/54/1131894154.db2.gz BYGSJIRCHHHNTI-OAHLLOKOSA-N 0 1 296.418 3.594 20 0 CHADMN CC(C)[C@@H](Oc1[nH]c(=O)ncc1Cl)c1ccccc1 ZINC001228480436 1131894523 /nfs/dbraw/zinc/89/45/23/1131894523.db2.gz KMXGADUZOVFADW-GFCCVEGCSA-N 0 1 278.739 3.612 20 0 CHADMN CC[C@@H](Oc1nc(Cl)nc2nc[nH]c21)C1CCCCC1 ZINC001228507176 1131898680 /nfs/dbraw/zinc/89/86/80/1131898680.db2.gz IDRPHFVMHDAXSF-SNVBAGLBSA-N 0 1 294.786 3.744 20 0 CHADMN CC(C)=CCC[C@@H](C)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507606 1131899483 /nfs/dbraw/zinc/89/94/83/1131899483.db2.gz UFOUAOHHRHJHLU-SECBINFHSA-N 0 1 280.759 3.520 20 0 CHADMN CC[C@@H]1CCC[C@H]1NCc1nnc(Cc2ccccc2C)o1 ZINC000348175642 1131900972 /nfs/dbraw/zinc/90/09/72/1131900972.db2.gz YSNDYPIDZJYSPH-GDBMZVCRSA-N 0 1 299.418 3.637 20 0 CHADMN CC[C@@H](C)Sc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000348175391 1131901009 /nfs/dbraw/zinc/90/10/09/1131901009.db2.gz SQASYJFCQPPWOK-QROSGCPLSA-N 0 1 263.366 3.767 20 0 CHADMN C[C@H]1CCCN(Cc2cc(Br)ccn2)C[C@H]1C ZINC001140762293 1131909488 /nfs/dbraw/zinc/90/94/88/1131909488.db2.gz UUNYRXZLLSRYJO-NWDGAFQWSA-N 0 1 297.240 3.712 20 0 CHADMN Oc1cc(Cl)cc(CN2C[C@H]3[C@H](CCC3(F)F)C2)c1 ZINC001140787749 1131920392 /nfs/dbraw/zinc/92/03/92/1131920392.db2.gz RZRODDUAPJLFAQ-MFKMUULPSA-N 0 1 287.737 3.523 20 0 CHADMN CCCCC(=O)[C@@H](CCCC)Oc1ccc2[nH]nnc2c1 ZINC001228663055 1131929436 /nfs/dbraw/zinc/92/94/36/1131929436.db2.gz RWQYSLCPTYTEKM-MRXNPFEDSA-N 0 1 289.379 3.655 20 0 CHADMN Cc1ccc(COc2ccc3[nH]nnc3c2)c(OC(C)C)c1 ZINC001228663293 1131929951 /nfs/dbraw/zinc/92/99/51/1131929951.db2.gz ZZHINZMHXKFJJE-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN Clc1ccc2c(c1)[C@H](Oc1ccc3[nH]nnc3c1)CC2 ZINC001228663158 1131930455 /nfs/dbraw/zinc/93/04/55/1131930455.db2.gz WEHRLSARUZRTMG-OAHLLOKOSA-N 0 1 285.734 3.678 20 0 CHADMN C[C@@H](Oc1ccc2[nH]nnc2c1)c1ccccc1Cl ZINC001228667641 1131931533 /nfs/dbraw/zinc/93/15/33/1131931533.db2.gz OLIKBTQPBXAIJX-SECBINFHSA-N 0 1 273.723 3.751 20 0 CHADMN Cc1cccc(C)c1CN[C@@H](C)c1ccc(F)cn1 ZINC000773066112 1131933920 /nfs/dbraw/zinc/93/39/20/1131933920.db2.gz AGWDQBLBQADTRJ-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN CN(C)Cc1cccc(NCc2cccc3sccc32)n1 ZINC001171376891 1131934209 /nfs/dbraw/zinc/93/42/09/1131934209.db2.gz BPNLRFFHAJRPSP-UHFFFAOYSA-N 0 1 297.427 3.970 20 0 CHADMN CCCOC1CCN(Cc2ccc(OC)cc2Cl)CC1 ZINC001140821261 1131935626 /nfs/dbraw/zinc/93/56/26/1131935626.db2.gz MAZYWYKJEBLVGC-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN COc1cc(F)c(CN(C)C2CCCCC2)c(F)c1 ZINC001140823528 1131936753 /nfs/dbraw/zinc/93/67/53/1131936753.db2.gz LGLOORXFAWWUOF-UHFFFAOYSA-N 0 1 269.335 3.738 20 0 CHADMN CC[N@@H+](Cc1cc(Cl)c([O-])c(Cl)c1)C(C)C ZINC001140830572 1131940871 /nfs/dbraw/zinc/94/08/71/1131940871.db2.gz YLZHRYJQINNKRD-UHFFFAOYSA-N 0 1 262.180 3.929 20 0 CHADMN CC[C@H](C)N1CCN(C(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC001140843938 1131943660 /nfs/dbraw/zinc/94/36/60/1131943660.db2.gz BRGLGGBCAQJPBF-HOTGVXAUSA-N 0 1 294.483 3.536 20 0 CHADMN Fc1cccc(CN[C@H](CC2CC2)c2ccccc2)n1 ZINC000773095571 1131944070 /nfs/dbraw/zinc/94/40/70/1131944070.db2.gz MKEDKAOTKBVRNE-MRXNPFEDSA-N 0 1 270.351 3.852 20 0 CHADMN CC(C)Cc1ncc(CN[C@@H](C)c2cncs2)s1 ZINC000773094369 1131944759 /nfs/dbraw/zinc/94/47/59/1131944759.db2.gz JEIMRQPRALHCFL-JTQLQIEISA-N 0 1 281.450 3.649 20 0 CHADMN Cc1c[nH]c(CN2CCN(c3cccc(C)c3C)CC2)c1C ZINC001140862614 1131951504 /nfs/dbraw/zinc/95/15/04/1131951504.db2.gz HUTBNDDMPOJNRL-UHFFFAOYSA-N 0 1 297.446 3.571 20 0 CHADMN CCC[C@@H](NCc1cnn(C)c1Cl)c1ccccc1 ZINC000712401495 1131955628 /nfs/dbraw/zinc/95/56/28/1131955628.db2.gz KDDGWMAKFLTJDG-CQSZACIVSA-N 0 1 277.799 3.705 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1c(N)cccc1F ZINC001140877998 1131955714 /nfs/dbraw/zinc/95/57/14/1131955714.db2.gz ZOMCJKHIFHCHHF-GOSISDBHSA-N 0 1 284.378 3.917 20 0 CHADMN Fc1cc(CN2CCCCC2)ccc1OC(F)(F)F ZINC001140881649 1131956240 /nfs/dbraw/zinc/95/62/40/1131956240.db2.gz BYICXPGWGNXDOV-UHFFFAOYSA-N 0 1 277.261 3.710 20 0 CHADMN [O-]c1ccc(C[N@H+]2CCCC3(CC(F)C3)CC2)c(F)c1F ZINC001140892923 1131959685 /nfs/dbraw/zinc/95/96/85/1131959685.db2.gz DUJVYRLVGNPDCD-UHFFFAOYSA-N 0 1 299.336 3.775 20 0 CHADMN CCCC[C@H](C)NCc1ncc(Br)s1 ZINC000713629576 1131965448 /nfs/dbraw/zinc/96/54/48/1131965448.db2.gz CHHRJHSCSYCPQO-QMMMGPOBSA-N 0 1 277.231 3.574 20 0 CHADMN Fc1cccc2c1CC[C@H](N[C@H]1CCCCC1(F)F)C2 ZINC001171404913 1131972040 /nfs/dbraw/zinc/97/20/40/1131972040.db2.gz OGDXCGREUGSXNQ-WFASDCNBSA-N 0 1 283.337 3.851 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cc(F)c([O-])c(F)c2)CCC1(F)F ZINC001140988377 1131978890 /nfs/dbraw/zinc/97/88/90/1131978890.db2.gz YKXSORCMLGMBMW-VIFPVBQESA-N 0 1 291.288 3.538 20 0 CHADMN COc1cc(F)cc(CNc2ccc3[nH]cnc3c2C)c1 ZINC001171416510 1131981356 /nfs/dbraw/zinc/98/13/56/1131981356.db2.gz PUQAQCPORGNQRT-UHFFFAOYSA-N 0 1 285.322 3.631 20 0 CHADMN C[N@@H+](Cc1cccs1)Cc1ccc2cccc(O)c2n1 ZINC001141023282 1131987992 /nfs/dbraw/zinc/98/79/92/1131987992.db2.gz IOJMARZQZQSDTE-UHFFFAOYSA-N 0 1 284.384 3.634 20 0 CHADMN CN(Cc1cccs1)Cc1ccc2cccc(O)c2n1 ZINC001141023282 1131987998 /nfs/dbraw/zinc/98/79/98/1131987998.db2.gz IOJMARZQZQSDTE-UHFFFAOYSA-N 0 1 284.384 3.634 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1cnccc1C ZINC001141036325 1131988624 /nfs/dbraw/zinc/98/86/24/1131988624.db2.gz VFTWJZYARYDZAY-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN CC(C)CC(CC(C)C)Oc1nnc2c[nH]ccc1-2 ZINC001228990252 1131993211 /nfs/dbraw/zinc/99/32/11/1131993211.db2.gz ODRODDBOOLMOHF-UHFFFAOYSA-N 0 1 261.369 3.798 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2ccns2)cs1 ZINC000715989540 1132007259 /nfs/dbraw/zinc/00/72/59/1132007259.db2.gz GEQDXBULKIKCAY-NXEZZACHSA-N 0 1 252.408 3.925 20 0 CHADMN C[C@@H](C(=O)Nc1ccc(SC(C)(C)C)c(F)c1)N(C)C ZINC000836797017 1131994287 /nfs/dbraw/zinc/99/42/87/1131994287.db2.gz IDCGMRZGUBAUDG-JTQLQIEISA-N 0 1 298.427 3.605 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccns2)s1 ZINC000715912479 1131995212 /nfs/dbraw/zinc/99/52/12/1131995212.db2.gz UEIUPNFJVNBRPR-VHSXEESVSA-N 0 1 252.408 3.925 20 0 CHADMN Cc1ccc(COc2nnc3c[nH]ccc2-3)c(OC(C)C)c1 ZINC001228995057 1131995288 /nfs/dbraw/zinc/99/52/88/1131995288.db2.gz LZLBQJTWWJBHAD-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc(F)c1)c1ccns1 ZINC000715969620 1131999706 /nfs/dbraw/zinc/99/97/06/1131999706.db2.gz YCLJZEPRMKBEPY-NXEZZACHSA-N 0 1 250.342 3.694 20 0 CHADMN C[C@H](N[C@H]1CCc2cc(F)ccc21)c1ccns1 ZINC000715966326 1132000646 /nfs/dbraw/zinc/00/06/46/1132000646.db2.gz NUSBZUIZWVTUKW-ZANVPECISA-N 0 1 262.353 3.620 20 0 CHADMN C[C@H](NCc1ccc(Cl)s1)c1ccns1 ZINC000716031563 1132001089 /nfs/dbraw/zinc/00/10/89/1132001089.db2.gz RNDFTFQXZHOMJT-ZETCQYMHSA-N 0 1 258.799 3.709 20 0 CHADMN CSc1cccc(CN[C@H](C)c2ccns2)c1 ZINC000716034150 1132002020 /nfs/dbraw/zinc/00/20/20/1132002020.db2.gz OKYNQDVFABABKA-SNVBAGLBSA-N 0 1 264.419 3.716 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccns2)cc1Cl ZINC000716034229 1132002165 /nfs/dbraw/zinc/00/21/65/1132002165.db2.gz QIQWKSQWVIHROF-SECBINFHSA-N 0 1 282.796 3.656 20 0 CHADMN C[C@H](N[C@H]1CCCc2sccc21)c1ccns1 ZINC000716030631 1132002175 /nfs/dbraw/zinc/00/21/75/1132002175.db2.gz NAUVVFCFTNSTRP-ONGXEEELSA-N 0 1 264.419 3.933 20 0 CHADMN CCCCc1ncc(CN(CC)Cc2ccccc2F)[nH]1 ZINC001141071519 1132004035 /nfs/dbraw/zinc/00/40/35/1132004035.db2.gz RXRAYBSOUQFZRZ-UHFFFAOYSA-N 0 1 289.398 3.914 20 0 CHADMN C[C@@H](NCc1ccc(C(F)F)cc1)c1ccns1 ZINC000716015297 1132008705 /nfs/dbraw/zinc/00/87/05/1132008705.db2.gz QFVDDBDPHWFVAY-SECBINFHSA-N 0 1 268.332 3.932 20 0 CHADMN CC[C@H](C(=O)O[C@@H](C)c1c(F)cccc1F)N(CC)CC ZINC000797029609 1132009713 /nfs/dbraw/zinc/00/97/13/1132009713.db2.gz CTULWYQDNHBVHU-SMDDNHRTSA-N 0 1 299.361 3.689 20 0 CHADMN O=C1CCCN(Cc2ccccc2-c2cccs2)CC1 ZINC001141093741 1132013472 /nfs/dbraw/zinc/01/34/72/1132013472.db2.gz LYDLRPYUJPPTQE-UHFFFAOYSA-N 0 1 285.412 3.970 20 0 CHADMN CC(C)N1CCC[C@H](Oc2ccc(Cl)nc2Cl)C1 ZINC001229091644 1132015155 /nfs/dbraw/zinc/01/51/55/1132015155.db2.gz NYBDBSDYFBHJGJ-JTQLQIEISA-N 0 1 289.206 3.640 20 0 CHADMN c1csc(-c2ccccc2CN2CCCC23COC3)c1 ZINC001141095431 1132016073 /nfs/dbraw/zinc/01/60/73/1132016073.db2.gz PRBHWPMVVWKKRG-UHFFFAOYSA-N 0 1 285.412 3.780 20 0 CHADMN Clc1ccc([C@@H]2CCN(Cc3cn[nH]c3)C2)cc1Cl ZINC001203096640 1132024834 /nfs/dbraw/zinc/02/48/34/1132024834.db2.gz FUROTDYZCXZEFC-GFCCVEGCSA-N 0 1 296.201 3.706 20 0 CHADMN Cc1[nH]nc(CN[C@H](C)c2c(F)cccc2Cl)c1C ZINC000716460758 1132026180 /nfs/dbraw/zinc/02/61/80/1132026180.db2.gz WBYUQUPMPYETBR-SNVBAGLBSA-N 0 1 281.762 3.670 20 0 CHADMN Cc1n[nH]c(CNCc2cc(Cl)cc(Cl)c2)c1C ZINC000716478240 1132026712 /nfs/dbraw/zinc/02/67/12/1132026712.db2.gz VNVRQWJTOMEIFO-UHFFFAOYSA-N 0 1 284.190 3.623 20 0 CHADMN Cc1cccc(Br)c1CN1CCC[C@H]2C[C@H]21 ZINC001248619044 1132033688 /nfs/dbraw/zinc/03/36/88/1132033688.db2.gz SWHZCRMHDWZODG-SMDDNHRTSA-N 0 1 280.209 3.742 20 0 CHADMN Cc1cccc(Br)c1CN1CCC[C@@H]2C[C@@H]21 ZINC001248619043 1132033771 /nfs/dbraw/zinc/03/37/71/1132033771.db2.gz SWHZCRMHDWZODG-RISCZKNCSA-N 0 1 280.209 3.742 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c(F)c1 ZINC001141194913 1132040717 /nfs/dbraw/zinc/04/07/17/1132040717.db2.gz SOWLOQMBKKIPEU-QGZVFWFLSA-N 0 1 285.362 3.787 20 0 CHADMN Cc1ccc(CN2CC[C@@H](Oc3ccccc3)C2)c(F)c1 ZINC001141194913 1132040719 /nfs/dbraw/zinc/04/07/19/1132040719.db2.gz SOWLOQMBKKIPEU-QGZVFWFLSA-N 0 1 285.362 3.787 20 0 CHADMN Cc1cc(N(C)C)ncc1NCC1(c2ccccc2)CC1 ZINC001171467073 1132040709 /nfs/dbraw/zinc/04/07/09/1132040709.db2.gz TYCQMCPQBJBLBH-UHFFFAOYSA-N 0 1 281.403 3.600 20 0 CHADMN Cc1ccc(CN2CCC3(CCC(=O)CC3)CC2)c(F)c1 ZINC001141195607 1132041047 /nfs/dbraw/zinc/04/10/47/1132041047.db2.gz VYOWTVQYPGXUEH-UHFFFAOYSA-N 0 1 289.394 3.859 20 0 CHADMN C[C@@H]1CCN([C@H]2CCc3cc(F)c(F)cc3C2)C[C@H]1F ZINC001171476683 1132041875 /nfs/dbraw/zinc/04/18/75/1132041875.db2.gz OFIURJHMCKEIFS-AKWBHNSASA-N 0 1 283.337 3.502 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC001141196881 1132042281 /nfs/dbraw/zinc/04/22/81/1132042281.db2.gz WUPSZJQEXCFDCY-LLVKDONJSA-N 0 1 261.262 3.518 20 0 CHADMN COc1cccc(CN2Cc3ccccc3[C@H](C)C2)c1F ZINC001141218397 1132045350 /nfs/dbraw/zinc/04/53/50/1132045350.db2.gz NXHBOPHIMPIFKX-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN COc1c(CN2CCC[C@H]3C[C@H]32)ccc(Cl)c1Cl ZINC001248646025 1132046394 /nfs/dbraw/zinc/04/63/94/1132046394.db2.gz KMSOOLMWSSVASA-JOYOIKCWSA-N 0 1 286.202 3.986 20 0 CHADMN CCc1ccccc1CN1CCC[C@H]1C(=O)OC(C)(C)C ZINC001141227018 1132049121 /nfs/dbraw/zinc/04/91/21/1132049121.db2.gz PWZPCXUQUQIUCX-INIZCTEOSA-N 0 1 289.419 3.555 20 0 CHADMN CCc1ccccc1CN(C)Cc1ccc(C)nc1 ZINC001141229809 1132053037 /nfs/dbraw/zinc/05/30/37/1132053037.db2.gz RMYVEONRQVWWGD-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN Cc1cccc2c1CC[C@@H](N[C@@H]1CCCC1(F)F)C2 ZINC001171556990 1132053933 /nfs/dbraw/zinc/05/39/33/1132053933.db2.gz PCOUPJUNDUTYFS-UKRRQHHQSA-N 0 1 265.347 3.630 20 0 CHADMN Cc1cccc2c1CN(Cc1cccc(N(C)C)c1)C2 ZINC001141257428 1132062664 /nfs/dbraw/zinc/06/26/64/1132062664.db2.gz GYHRQIBNWDRCJT-UHFFFAOYSA-N 0 1 266.388 3.577 20 0 CHADMN CC(C)(C)c1nnc(CN2CCC[C@H]2CC2CCCC2)[nH]1 ZINC001171631642 1132063817 /nfs/dbraw/zinc/06/38/17/1132063817.db2.gz ONOKDLFLPGMJLI-AWEZNQCLSA-N 0 1 290.455 3.647 20 0 CHADMN CC(C)Oc1c(O)ccc2c(=O)cc(-c3ccccc3)oc21 ZINC001229433304 1132066593 /nfs/dbraw/zinc/06/65/93/1132066593.db2.gz VJARJXAMLSVIQM-UHFFFAOYSA-N 0 1 296.322 3.953 20 0 CHADMN COc1cc(F)c(CN2CCCC3(CCC3)C2)cc1OC ZINC001141285691 1132070768 /nfs/dbraw/zinc/07/07/68/1132070768.db2.gz YRKCBVLRTNWLQD-UHFFFAOYSA-N 0 1 293.382 3.609 20 0 CHADMN Cc1ccc(CC[C@@H](C)N2Cc3ccncc3C2)cc1 ZINC001171678055 1132076973 /nfs/dbraw/zinc/07/69/73/1132076973.db2.gz BDHZOZIENXNPID-OAHLLOKOSA-N 0 1 266.388 3.727 20 0 CHADMN COc1ccsc1CN1CCCC[C@H]1c1cccnc1 ZINC001141326729 1132087236 /nfs/dbraw/zinc/08/72/36/1132087236.db2.gz KUKWOJITHRCRIF-AWEZNQCLSA-N 0 1 288.416 3.879 20 0 CHADMN COc1cc(Cl)ncc1CN1CC[C@H]2CCCC[C@H]2C1 ZINC001141341936 1132093761 /nfs/dbraw/zinc/09/37/61/1132093761.db2.gz WYKBEMMCVFCPEI-OLZOCXBDSA-N 0 1 294.826 3.756 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1C[C@]2(C)COC[C@]2(C)C1 ZINC001171835493 1132105378 /nfs/dbraw/zinc/10/53/78/1132105378.db2.gz ZWLVCIZYYCADPY-LYRGGWFBSA-N 0 1 297.801 3.899 20 0 CHADMN COc1ccc2nc(O[C@H]3CCc4ccccc43)[nH]c2c1 ZINC001229727184 1132110928 /nfs/dbraw/zinc/11/09/28/1132110928.db2.gz NAIXRJUAPBFGDN-INIZCTEOSA-N 0 1 280.327 3.638 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H](CC)CC(C)C)c1 ZINC001141416618 1132118711 /nfs/dbraw/zinc/11/87/11/1132118711.db2.gz NWNJQWRRYFWUJA-LBPRGKRZSA-N 0 1 291.391 3.996 20 0 CHADMN C1=CC=C(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[CH]1 ZINC001172076824 1132124014 /nfs/dbraw/zinc/12/40/14/1132124014.db2.gz MIZWXLWVNTZDJE-ACDBMABISA-N 0 1 293.434 3.820 20 0 CHADMN C[C@H]1CCCC[C@H]1Oc1ccc(F)cc1CN(C)C ZINC001229854318 1132124982 /nfs/dbraw/zinc/12/49/82/1132124982.db2.gz LMFNQTLYHCLTDZ-SWLSCSKDSA-N 0 1 265.372 3.845 20 0 CHADMN C[C@H](Oc1ccc(F)cc1CN(C)C)c1ncccc1F ZINC001229858165 1132125541 /nfs/dbraw/zinc/12/55/41/1132125541.db2.gz HLAGIGIJLITKPU-NSHDSACASA-N 0 1 292.329 3.561 20 0 CHADMN C[C@H]1CC[C@H](Oc2ccc(F)cc2CN(C)C)CC1 ZINC001229854976 1132125903 /nfs/dbraw/zinc/12/59/03/1132125903.db2.gz QXGIKDOVGLVILZ-NNUKFRKNSA-N 0 1 265.372 3.845 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H]2CSc3ccccc3C2)cs1 ZINC001172183948 1132135408 /nfs/dbraw/zinc/13/54/08/1132135408.db2.gz IHNPCUFAXXZYMB-MFKMUULPSA-N 0 1 290.457 3.819 20 0 CHADMN CCCOc1ccc(O[C@H]2CCCN(CC)C2)c(F)c1F ZINC001229973175 1132139075 /nfs/dbraw/zinc/13/90/75/1132139075.db2.gz BCKHQJLVNCRVEY-LBPRGKRZSA-N 0 1 299.361 3.617 20 0 CHADMN Cc1nc2cc(Nc3ccc(N(C)C)cc3)ccc2[nH]1 ZINC001213073765 1132139870 /nfs/dbraw/zinc/13/98/70/1132139870.db2.gz WBWOIOIVBLKCHS-UHFFFAOYSA-N 0 1 266.348 3.681 20 0 CHADMN C[C@@H]1c2ccsc2CCN1C[C@@H]1CC1(Cl)Cl ZINC000838548016 1132141129 /nfs/dbraw/zinc/14/11/29/1132141129.db2.gz JEEYLCYYJXTLKG-BDAKNGLRSA-N 0 1 276.232 3.861 20 0 CHADMN CCCOc1c(F)cc(F)c(Nc2c(C)ncn2C)c1F ZINC001212648093 1132150845 /nfs/dbraw/zinc/15/08/45/1132150845.db2.gz KMMIWBZHROUAOD-UHFFFAOYSA-N 0 1 299.296 3.678 20 0 CHADMN CCCOc1c(F)cc(F)c(Nc2cnc(C)n2C)c1F ZINC001212647935 1132151071 /nfs/dbraw/zinc/15/10/71/1132151071.db2.gz CCHQESOVKBHXIV-UHFFFAOYSA-N 0 1 299.296 3.678 20 0 CHADMN Cc1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)c(Cl)n1 ZINC000838868720 1132152878 /nfs/dbraw/zinc/15/28/78/1132152878.db2.gz QVFDVVYYUZMKPA-UONOGXRCSA-N 0 1 296.867 3.903 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccccc2)c(Cl)n1 ZINC000838912379 1132156453 /nfs/dbraw/zinc/15/64/53/1132156453.db2.gz JFAZGFWXZFYQGH-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1ccc(Cl)c(O[C@@H]2CC[N@H+](C(C)C)C2)c1C ZINC001230179253 1132157498 /nfs/dbraw/zinc/15/74/98/1132157498.db2.gz JFVOSTWBGQQHDY-CYBMUJFWSA-N 0 1 267.800 3.818 20 0 CHADMN Cc1cc2[nH]ncc2cc1OC1CC(C)(C)OC(C)(C)C1 ZINC001230225625 1132163485 /nfs/dbraw/zinc/16/34/85/1132163485.db2.gz WNOROWVDWKCBCY-UHFFFAOYSA-N 0 1 288.391 3.986 20 0 CHADMN Cc1ccc(CN2CCC[C@@]3(CCSC3)C2)c(Cl)n1 ZINC000839029784 1132169289 /nfs/dbraw/zinc/16/92/89/1132169289.db2.gz QHFLTWPXTSCMTL-OAHLLOKOSA-N 0 1 296.867 3.763 20 0 CHADMN FCCN1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000839137767 1132182714 /nfs/dbraw/zinc/18/27/14/1132182714.db2.gz IUCWXGWSCWXIKL-CYBMUJFWSA-N 0 1 281.762 3.713 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1ccc2c(c1)COC2 ZINC000839162780 1132186897 /nfs/dbraw/zinc/18/68/97/1132186897.db2.gz FVRUYGXJRRMWMB-CQSZACIVSA-N 0 1 297.398 3.885 20 0 CHADMN Fc1c(F)c(F)c(CN[C@H]2CCC[C@@H]3C[C@@H]32)c(F)c1F ZINC000839197358 1132191842 /nfs/dbraw/zinc/19/18/42/1132191842.db2.gz YDNZZODBNADSSZ-FJXKBIBVSA-N 0 1 291.263 3.660 20 0 CHADMN CCOCC[C@@H](C)N(C)Cc1nc2ccccc2s1 ZINC001172417477 1132202192 /nfs/dbraw/zinc/20/21/92/1132202192.db2.gz OOWRIXGRNDCBMR-GFCCVEGCSA-N 0 1 278.421 3.543 20 0 CHADMN CCCCCC[C@H](CCC)N1CCn2nccc2C1 ZINC001172382843 1132208340 /nfs/dbraw/zinc/20/83/40/1132208340.db2.gz HQWVWPIYASEKMM-HNNXBMFYSA-N 0 1 263.429 3.838 20 0 CHADMN CC(C)OCC[C@@H](C)NCc1c(F)ccc(F)c1Cl ZINC001172434912 1132214324 /nfs/dbraw/zinc/21/43/24/1132214324.db2.gz WAWLCGYEGFTSMV-SNVBAGLBSA-N 0 1 291.769 3.911 20 0 CHADMN Cc1ccc2ncc(CN3CC[C@H](C(F)(F)F)C3)cc2c1 ZINC000839532423 1132221987 /nfs/dbraw/zinc/22/19/87/1132221987.db2.gz BUQDOXDRERXQAF-AWEZNQCLSA-N 0 1 294.320 3.927 20 0 CHADMN CCc1ccc(CN[C@@H](CC)c2ccccc2OC)nc1 ZINC000839537832 1132222196 /nfs/dbraw/zinc/22/21/96/1132222196.db2.gz AVXILGHXOURHFP-KRWDZBQOSA-N 0 1 284.403 3.894 20 0 CHADMN CCN(Cc1cnc(Cl)s1)C1CC(C)(C)C1 ZINC000839664462 1132228661 /nfs/dbraw/zinc/22/86/61/1132228661.db2.gz QSSTXZYRAHWCPJ-UHFFFAOYSA-N 0 1 258.818 3.807 20 0 CHADMN CCCC(=O)[C@@H](CCC)Oc1cc2[nH]ncc2c(F)c1 ZINC001230930433 1132230455 /nfs/dbraw/zinc/23/04/55/1132230455.db2.gz DILJZYPXRBLGNV-OAHLLOKOSA-N 0 1 278.327 3.619 20 0 CHADMN CC1(C)CC(Oc2cc3[nH]ncc3c(F)c2)CC(C)(C)O1 ZINC001230932832 1132230743 /nfs/dbraw/zinc/23/07/43/1132230743.db2.gz ARGOIHXGGMMNFU-UHFFFAOYSA-N 0 1 292.354 3.817 20 0 CHADMN C[C@@H](Oc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccco1 ZINC001231047808 1132248700 /nfs/dbraw/zinc/24/87/00/1132248700.db2.gz CZGSFZPBWRNSEK-ZCFIWIBFSA-N 0 1 298.129 3.998 20 0 CHADMN Cn1ncc2c1CCN([C@H]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001172549970 1132261448 /nfs/dbraw/zinc/26/14/48/1132261448.db2.gz RYNMFEHYVCPUIZ-AEFFLSMTSA-N 0 1 295.430 3.505 20 0 CHADMN CC[C@H](C)N(C)Cc1cc(F)c(Br)cc1F ZINC001141912045 1132267483 /nfs/dbraw/zinc/26/74/83/1132267483.db2.gz JRMLCTAIVNAHGX-QMMMGPOBSA-N 0 1 292.167 3.958 20 0 CHADMN C[C@@H](Oc1ccccc1C(=O)c1ccccc1O)C1CC1 ZINC001231210856 1132271463 /nfs/dbraw/zinc/27/14/63/1132271463.db2.gz ZQJBAKVWWDUJED-GFCCVEGCSA-N 0 1 282.339 3.801 20 0 CHADMN c1ccc([C@@H]2CCC[C@@H](N3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC001172539934 1132275106 /nfs/dbraw/zinc/27/51/06/1132275106.db2.gz AYWJFMKXEHXVEZ-TVFCKZIOSA-N 0 1 271.404 3.576 20 0 CHADMN Cn1cnc2c1CN([C@H]1CCC[C@@H](c3ccccc3)C1)CC2 ZINC001172545480 1132278325 /nfs/dbraw/zinc/27/83/25/1132278325.db2.gz AEUWMYPPSZQDHI-SJORKVTESA-N 0 1 295.430 3.505 20 0 CHADMN Cc1ccc(CN(CCO)Cc2cccs2)cc1Cl ZINC001231423259 1132292857 /nfs/dbraw/zinc/29/28/57/1132292857.db2.gz XMXJVFVKUYEBMV-UHFFFAOYSA-N 0 1 295.835 3.704 20 0 CHADMN CSc1cc(C)ccc1NC(=S)NC1(C)CC1 ZINC000840855352 1132294171 /nfs/dbraw/zinc/29/41/71/1132294171.db2.gz BIPNSVWUGGJKJZ-UHFFFAOYSA-N 0 1 266.435 3.556 20 0 CHADMN CSc1ccc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)s1 ZINC001142020980 1132298058 /nfs/dbraw/zinc/29/80/58/1132298058.db2.gz VEIONJDOJUJDBD-AOOOYVTPSA-N 0 1 289.416 3.947 20 0 CHADMN Cc1cc(C)c(CN2CCC[C@H]2c2ncccn2)cc1C ZINC001231485824 1132301075 /nfs/dbraw/zinc/30/10/75/1132301075.db2.gz ILTJYIVIVKVMQQ-KRWDZBQOSA-N 0 1 281.403 3.739 20 0 CHADMN COc1cc2c(cn1)CCN(Cc1cc(C)c(C)cc1C)C2 ZINC001231485000 1132301936 /nfs/dbraw/zinc/30/19/36/1132301936.db2.gz BVUKYXHYEIKVRE-UHFFFAOYSA-N 0 1 296.414 3.574 20 0 CHADMN COc1ccc(CNc2nccn2C2CC2)c2ccccc12 ZINC000840887093 1132304638 /nfs/dbraw/zinc/30/46/38/1132304638.db2.gz HYVGHLCHZOSOTB-UHFFFAOYSA-N 0 1 293.370 3.992 20 0 CHADMN FC(F)(F)Oc1ccc(CNc2nccn2C2CC2)cc1 ZINC000840887049 1132304864 /nfs/dbraw/zinc/30/48/64/1132304864.db2.gz GGVJDVMARNLRRE-UHFFFAOYSA-N 0 1 297.280 3.729 20 0 CHADMN CC(C)OC1CN(C2CCC3(CCCC3)CC2)C1 ZINC001172730892 1132305936 /nfs/dbraw/zinc/30/59/36/1132305936.db2.gz QPIGRULDWUNFHP-UHFFFAOYSA-N 0 1 251.414 3.599 20 0 CHADMN CCc1ccc(CN2CC3(C2)CC(F)(F)C3)s1 ZINC001231498796 1132306366 /nfs/dbraw/zinc/30/63/66/1132306366.db2.gz FOVLZNAFDJQUOR-UHFFFAOYSA-N 0 1 257.349 3.542 20 0 CHADMN CC[C@H]1COCCN1Cc1cccc(-c2ccccc2)c1 ZINC001231511307 1132310985 /nfs/dbraw/zinc/31/09/85/1132310985.db2.gz LMOAOHVPGMFSDR-IBGZPJMESA-N 0 1 281.399 3.964 20 0 CHADMN Oc1ccc(CN2CCC3(CC3)CC2)cc1C(F)(F)F ZINC001231522870 1132312313 /nfs/dbraw/zinc/31/23/13/1132312313.db2.gz KWCSTPDEDFBTTL-UHFFFAOYSA-N 0 1 285.309 3.787 20 0 CHADMN [O-]c1ccc(C[NH+]2CCC3(CC3)CC2)cc1C(F)(F)F ZINC001231522870 1132312320 /nfs/dbraw/zinc/31/23/20/1132312320.db2.gz KWCSTPDEDFBTTL-UHFFFAOYSA-N 0 1 285.309 3.787 20 0 CHADMN CC(C)Oc1ccc(CN2CCc3ccccc3[C@@H]2C)cn1 ZINC001231532096 1132314080 /nfs/dbraw/zinc/31/40/80/1132314080.db2.gz PJTHVMITUZGQTO-HNNXBMFYSA-N 0 1 296.414 3.988 20 0 CHADMN CC(=O)[C@@H]1CCCN1Cc1ccc(-c2ccc(C)o2)cc1 ZINC001231599644 1132324126 /nfs/dbraw/zinc/32/41/26/1132324126.db2.gz LBZXOUUXOUIYNY-KRWDZBQOSA-N 0 1 283.371 3.808 20 0 CHADMN Cc1ccc(-c2ccc(CN3CCOC4(CC4)C3)cc2)o1 ZINC001231599428 1132324499 /nfs/dbraw/zinc/32/44/99/1132324499.db2.gz IGAYQOXXMYILQY-UHFFFAOYSA-N 0 1 283.371 3.620 20 0 CHADMN CC[N@@H+](Cc1cccs1)Cc1ccc(F)cc1OC ZINC001231605200 1132326943 /nfs/dbraw/zinc/32/69/43/1132326943.db2.gz BWWQRKPRSBCNQC-UHFFFAOYSA-N 0 1 279.380 3.918 20 0 CHADMN CCN(Cc1cccs1)Cc1ccc(F)cc1OC ZINC001231605200 1132326952 /nfs/dbraw/zinc/32/69/52/1132326952.db2.gz BWWQRKPRSBCNQC-UHFFFAOYSA-N 0 1 279.380 3.918 20 0 CHADMN Cc1nc(CN[C@@H](C)Cc2c(F)cccc2Cl)c(C)o1 ZINC001172837570 1132329118 /nfs/dbraw/zinc/32/91/18/1132329118.db2.gz OAKNXLRRVWZOSL-VIFPVBQESA-N 0 1 296.773 3.805 20 0 CHADMN C[C@H]1CN(Cc2coc(-c3ccccc3)n2)C2(CC2)C1 ZINC001231632578 1132331439 /nfs/dbraw/zinc/33/14/39/1132331439.db2.gz ZJTNXEDUNKKPKB-CYBMUJFWSA-N 0 1 268.360 3.716 20 0 CHADMN Cc1ccc2c(c1)C[C@@H](N1Cc3cnc(Cl)cc3C1)CC2 ZINC001172838912 1132332542 /nfs/dbraw/zinc/33/25/42/1132332542.db2.gz MRLQIBLOCCGHHP-KRWDZBQOSA-N 0 1 298.817 3.917 20 0 CHADMN C[C@@H](Cc1c(F)cccc1Cl)N1CCCO[C@@H](C)C1 ZINC001172846685 1132335092 /nfs/dbraw/zinc/33/50/92/1132335092.db2.gz HFYCSHVRWWLHTI-RYUDHWBXSA-N 0 1 285.790 3.521 20 0 CHADMN COc1cc(Cl)c(CN2CC[C@H](C)C[C@@H]2C)c(OC)c1 ZINC001231696742 1132345981 /nfs/dbraw/zinc/34/59/81/1132345981.db2.gz JCNNUSDOQQJRMD-RYUDHWBXSA-N 0 1 297.826 3.978 20 0 CHADMN COc1cc(Cl)c(CN2CCCC[C@H]2C)c(OC)c1 ZINC001231694421 1132347364 /nfs/dbraw/zinc/34/73/64/1132347364.db2.gz OTBREJPXTNHBSD-LLVKDONJSA-N 0 1 283.799 3.732 20 0 CHADMN C[C@@H]1CCCCC[N@@H+]1Cc1ccc(Cl)c([O-])c1 ZINC001231738810 1132351828 /nfs/dbraw/zinc/35/18/28/1132351828.db2.gz TVUMRWYJCNHQOT-LLVKDONJSA-N 0 1 253.773 3.810 20 0 CHADMN C[C@@H]1CCCCC[N@H+]1Cc1ccc(Cl)c([O-])c1 ZINC001231738810 1132351836 /nfs/dbraw/zinc/35/18/36/1132351836.db2.gz TVUMRWYJCNHQOT-LLVKDONJSA-N 0 1 253.773 3.810 20 0 CHADMN C[C@@H](CSc1ccc(Cl)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001172875289 1132354934 /nfs/dbraw/zinc/35/49/34/1132354934.db2.gz KIZSUYSLEYMTEO-RWMBFGLXSA-N 0 1 299.867 3.930 20 0 CHADMN CCc1nc[nH]c1C(=O)Nc1ccc(Cl)c(SC)c1 ZINC001142246556 1132355520 /nfs/dbraw/zinc/35/55/20/1132355520.db2.gz OZXPJDAPTWFKDC-UHFFFAOYSA-N 0 1 295.795 3.600 20 0 CHADMN CC(C)Oc1ncccc1CN1CCCc2ccccc2C1 ZINC001231759943 1132355523 /nfs/dbraw/zinc/35/55/23/1132355523.db2.gz ZEFUUJMLWQBGPH-UHFFFAOYSA-N 0 1 296.414 3.817 20 0 CHADMN CCCCc1ccc(CN(C)Cc2cnc(C)nc2)cc1 ZINC001231782951 1132358967 /nfs/dbraw/zinc/35/89/67/1132358967.db2.gz VMJFBQYFXAILBW-UHFFFAOYSA-N 0 1 283.419 3.760 20 0 CHADMN CSc1ccccc1CN1CCCC[C@H](F)C1 ZINC001231782500 1132360382 /nfs/dbraw/zinc/36/03/82/1132360382.db2.gz LPBIOMBWGASHIO-ZDUSSCGKSA-N 0 1 253.386 3.733 20 0 CHADMN c1cc2c(cc1CN1CC3(C1)CCCCC3)OCCCO2 ZINC001142271257 1132360430 /nfs/dbraw/zinc/36/04/30/1132360430.db2.gz GJCWYSORWVPEGI-UHFFFAOYSA-N 0 1 287.403 3.614 20 0 CHADMN CSc1ccccc1CN1CCc2cc(O)ccc2C1 ZINC001231782461 1132361066 /nfs/dbraw/zinc/36/10/66/1132361066.db2.gz KVSPQGXVPOLZCP-UHFFFAOYSA-N 0 1 285.412 3.672 20 0 CHADMN CCCCc1ccc(CN2CCCC[C@@H]2C(C)=O)cc1 ZINC001231781607 1132361298 /nfs/dbraw/zinc/36/12/98/1132361298.db2.gz JWELYRHCSQSJTO-GOSISDBHSA-N 0 1 273.420 3.973 20 0 CHADMN C[C@@H]1CN(Cc2ccc(-c3ccccc3)o2)C[C@@H]1F ZINC001231809879 1132368580 /nfs/dbraw/zinc/36/85/80/1132368580.db2.gz DQVWXVKFFLTBNW-DOMZBBRYSA-N 0 1 259.324 3.736 20 0 CHADMN Fc1ccc(-c2ccccc2CN(C2CC2)C2COC2)cc1 ZINC001231824561 1132372720 /nfs/dbraw/zinc/37/27/20/1132372720.db2.gz DUHYSXWPVLWESK-UHFFFAOYSA-N 0 1 297.373 3.856 20 0 CHADMN CO[C@H]1CCC[C@@H](N2CCc3c4ccccc4oc3C2)C1 ZINC001172949379 1132373336 /nfs/dbraw/zinc/37/33/36/1132373336.db2.gz JRHSDHRUSTWILS-KGLIPLIRSA-N 0 1 285.387 3.749 20 0 CHADMN CCCc1ccc(CN2CCCC[C@@H]2C(C)=O)cc1 ZINC001142367261 1132375236 /nfs/dbraw/zinc/37/52/36/1132375236.db2.gz LDXZFPKSGOGJTI-QGZVFWFLSA-N 0 1 259.393 3.583 20 0 CHADMN COC(=O)[C@@H]1CCCCN1Cc1c(C)ccc2ccccc21 ZINC001142371944 1132377343 /nfs/dbraw/zinc/37/73/43/1132377343.db2.gz JVZORENTDYRHIS-SFHVURJKSA-N 0 1 297.398 3.676 20 0 CHADMN CCCOc1ncccc1CN(C)CCc1ccccc1 ZINC001231860494 1132382211 /nfs/dbraw/zinc/38/22/11/1132382211.db2.gz XCCSLXMOLWWVGS-UHFFFAOYSA-N 0 1 284.403 3.545 20 0 CHADMN CC(C)c1ccccc1CN1CCc2ncccc2C1 ZINC001231876963 1132386796 /nfs/dbraw/zinc/38/67/96/1132386796.db2.gz SWRXTNDTZXOHOU-UHFFFAOYSA-N 0 1 266.388 3.763 20 0 CHADMN NCc1ncccc1NC1CCC2(CCCCC2)CC1 ZINC001173115697 1132395651 /nfs/dbraw/zinc/39/56/51/1132395651.db2.gz IFCKZLYCZHFELE-UHFFFAOYSA-N 0 1 273.424 3.845 20 0 CHADMN CO[C@@H](CNCc1ccnc(Cl)c1Cl)CC(C)C ZINC000841888078 1132400005 /nfs/dbraw/zinc/40/00/05/1132400005.db2.gz DHIOYRACSUGHMM-LLVKDONJSA-N 0 1 291.222 3.539 20 0 CHADMN COC(=O)c1ccc(Nc2ccc3[nH]c(C)nc3c2)c(F)c1 ZINC001213074510 1132402547 /nfs/dbraw/zinc/40/25/47/1132402547.db2.gz YFGKVLUQCRFYBB-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN COC(=O)c1ccc(Nc2ccc3nc(C)[nH]c3c2)c(F)c1 ZINC001213074510 1132402550 /nfs/dbraw/zinc/40/25/50/1132402550.db2.gz YFGKVLUQCRFYBB-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Clc1cccc2c1C[N@@H+](Cc1cccc3c[nH]nc31)CC2 ZINC001231975910 1132405516 /nfs/dbraw/zinc/40/55/16/1132405516.db2.gz XNEAYXCSKHTYIA-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN Clc1cccc2c1CN(Cc1cccc3c[nH]nc31)CC2 ZINC001231975910 1132405520 /nfs/dbraw/zinc/40/55/20/1132405520.db2.gz XNEAYXCSKHTYIA-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCCC(=O)[C@H](C)C1 ZINC001232001444 1132409629 /nfs/dbraw/zinc/40/96/29/1132409629.db2.gz BSSRYCMHMRJWJQ-GFCCVEGCSA-N 0 1 299.336 3.815 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2c(Cl)n(C)nc2C(F)F)CC1 ZINC001232050715 1132413974 /nfs/dbraw/zinc/41/39/74/1132413974.db2.gz NAVLINFOOPKPGS-SECBINFHSA-N 0 1 291.773 3.633 20 0 CHADMN C[C@@H]1CCCN(Cc2c(Cl)n(C)nc2C(F)F)CC1 ZINC001232050715 1132413982 /nfs/dbraw/zinc/41/39/82/1132413982.db2.gz NAVLINFOOPKPGS-SECBINFHSA-N 0 1 291.773 3.633 20 0 CHADMN Cc1cc(Br)cnc1C[N@@H+]1CCCCC[C@H]1C ZINC001232048396 1132414535 /nfs/dbraw/zinc/41/45/35/1132414535.db2.gz HNWUVLPDTMEHRG-GFCCVEGCSA-N 0 1 297.240 3.917 20 0 CHADMN Cc1cc(Br)cnc1CN1CCCCC[C@H]1C ZINC001232048396 1132414540 /nfs/dbraw/zinc/41/45/40/1132414540.db2.gz HNWUVLPDTMEHRG-GFCCVEGCSA-N 0 1 297.240 3.917 20 0 CHADMN Cn1nc(C(F)F)c(CN2CCCCC23CC3)c1Cl ZINC001232055451 1132415108 /nfs/dbraw/zinc/41/51/08/1132415108.db2.gz AVOVLPUGAVNPSX-UHFFFAOYSA-N 0 1 289.757 3.530 20 0 CHADMN Oc1cncc(CN2CCCC[C@@H]2c2ccccc2)c1 ZINC001232038867 1132415341 /nfs/dbraw/zinc/41/53/41/1132415341.db2.gz JZNRISCEHBZWOS-QGZVFWFLSA-N 0 1 268.360 3.514 20 0 CHADMN c1c(CN2CC[C@H]2c2ccccc2)[nH]c2cccnc12 ZINC001232064334 1132416281 /nfs/dbraw/zinc/41/62/81/1132416281.db2.gz FZKVAQCJYJDLOG-KRWDZBQOSA-N 0 1 263.344 3.510 20 0 CHADMN O=C([O-])c1cc(Cl)ccc1C[N@H+]1CCC12CCCC2 ZINC001142646913 1132416933 /nfs/dbraw/zinc/41/69/33/1132416933.db2.gz IYAQOOVXYHUPDW-UHFFFAOYSA-N 0 1 279.767 3.557 20 0 CHADMN C[C@H]1CN(Cc2cc3ncccc3[nH]2)Cc2ccccc21 ZINC001232061704 1132417024 /nfs/dbraw/zinc/41/70/24/1132417024.db2.gz MHAUVBDDUMANMI-ZDUSSCGKSA-N 0 1 277.371 3.682 20 0 CHADMN FC(F)(F)c1cccc(CN2CCC[C@@H]3CCC[C@H]32)n1 ZINC001232071484 1132418234 /nfs/dbraw/zinc/41/82/34/1132418234.db2.gz ICSQBOHVAPNMJO-WCQYABFASA-N 0 1 284.325 3.865 20 0 CHADMN C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142660369 1132419727 /nfs/dbraw/zinc/41/97/27/1132419727.db2.gz PROZFJINCSNWNO-WDEREUQCSA-N 0 1 281.783 3.659 20 0 CHADMN CCc1ccc(C[C@@H](C)N2Cc3cccnc3C2)cc1 ZINC001173253411 1132422589 /nfs/dbraw/zinc/42/25/89/1132422589.db2.gz TZWYJYAJWZEZHA-CQSZACIVSA-N 0 1 266.388 3.591 20 0 CHADMN CCN(Cc1c(F)cc(F)cc1Cl)C1CCOCC1 ZINC001232101367 1132422979 /nfs/dbraw/zinc/42/29/79/1132422979.db2.gz FYHCIRXCAATMIV-UHFFFAOYSA-N 0 1 289.753 3.619 20 0 CHADMN CCCC[C@H](CC(C)C)NC1(c2ncccn2)CC1 ZINC001173257511 1132425204 /nfs/dbraw/zinc/42/52/04/1132425204.db2.gz VFABBSCNNKUUEU-CQSZACIVSA-N 0 1 261.413 3.660 20 0 CHADMN CCN(Cc1cnc(-c2cccnc2)o1)Cc1cccs1 ZINC001232136744 1132428300 /nfs/dbraw/zinc/42/83/00/1132428300.db2.gz XJOSCBLHQFNWKU-UHFFFAOYSA-N 0 1 299.399 3.820 20 0 CHADMN CCCC[C@@H](CC(C)C)N1CC2(C1)CC(F)(F)CO2 ZINC001173260173 1132428299 /nfs/dbraw/zinc/42/82/99/1132428299.db2.gz OFHFSELMNAHXQC-ZDUSSCGKSA-N 0 1 275.383 3.701 20 0 CHADMN Cc1ccc([C@H]2CCC[N@@H+]2Cc2cn(C)nc2C2CC2)cc1 ZINC001232170686 1132429962 /nfs/dbraw/zinc/42/99/62/1132429962.db2.gz BKCXDWIORDFNBX-GOSISDBHSA-N 0 1 295.430 3.943 20 0 CHADMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cn(C)nc1C1CC1 ZINC001232171010 1132430169 /nfs/dbraw/zinc/43/01/69/1132430169.db2.gz BYYSTEPDABQWDE-GOSISDBHSA-N 0 1 295.430 3.807 20 0 CHADMN COc1ccnc(Cl)c1CN1CCCCC[C@H]1C ZINC001232157026 1132430191 /nfs/dbraw/zinc/43/01/91/1132430191.db2.gz WVDQLOFZNKVUSB-LLVKDONJSA-N 0 1 268.788 3.508 20 0 CHADMN CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ccns2)cc1 ZINC001232192194 1132433716 /nfs/dbraw/zinc/43/37/16/1132433716.db2.gz WNWBVKLOUMVXGH-INIZCTEOSA-N 0 1 288.416 3.879 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2ccns2)cc1 ZINC001232192194 1132433720 /nfs/dbraw/zinc/43/37/20/1132433720.db2.gz WNWBVKLOUMVXGH-INIZCTEOSA-N 0 1 288.416 3.879 20 0 CHADMN COc1cccc([C@H]2CCC[N@@H+](Cc3ccns3)C2)c1 ZINC001232194896 1132433763 /nfs/dbraw/zinc/43/37/63/1132433763.db2.gz YNKSKRHCAMUJAQ-AWEZNQCLSA-N 0 1 288.416 3.531 20 0 CHADMN COc1cccc([C@H]2CCCN(Cc3ccns3)C2)c1 ZINC001232194896 1132433766 /nfs/dbraw/zinc/43/37/66/1132433766.db2.gz YNKSKRHCAMUJAQ-AWEZNQCLSA-N 0 1 288.416 3.531 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccns2)CCc2ccc(Cl)cc21 ZINC001232192612 1132434265 /nfs/dbraw/zinc/43/42/65/1132434265.db2.gz RKIVNNQXUTYKDM-NSHDSACASA-N 0 1 292.835 3.958 20 0 CHADMN C[C@H]1CN(Cc2ccns2)CCc2ccc(Cl)cc21 ZINC001232192612 1132434268 /nfs/dbraw/zinc/43/42/68/1132434268.db2.gz RKIVNNQXUTYKDM-NSHDSACASA-N 0 1 292.835 3.958 20 0 CHADMN Fc1ccc(CC2CCN(Cc3ccns3)CC2)cc1 ZINC001232191826 1132434373 /nfs/dbraw/zinc/43/43/73/1132434373.db2.gz HWPKUPFNYPYPPE-UHFFFAOYSA-N 0 1 290.407 3.737 20 0 CHADMN Cc1scnc1CN1CCC2(C1)CCCCC2 ZINC001232207652 1132435268 /nfs/dbraw/zinc/43/52/68/1132435268.db2.gz LWLKJLKIKBFVSA-UHFFFAOYSA-N 0 1 250.411 3.608 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2ccnc3c(F)cccc23)C1 ZINC001232209377 1132435474 /nfs/dbraw/zinc/43/54/74/1132435474.db2.gz HHPPCLOEHFIKNA-AAEUAGOBSA-N 0 1 276.330 3.554 20 0 CHADMN Cc1scnc1CN1CC[C@@H](c2cccc(F)c2)C1 ZINC001232206504 1132435733 /nfs/dbraw/zinc/43/57/33/1132435733.db2.gz JVHWHTFPAOCBLD-CYBMUJFWSA-N 0 1 276.380 3.580 20 0 CHADMN CC(C)OC1CCN(Cc2ccnc(C(C)(C)C)c2)CC1 ZINC001232216178 1132437083 /nfs/dbraw/zinc/43/70/83/1132437083.db2.gz QWYLASVXVPQCHP-UHFFFAOYSA-N 0 1 290.451 3.769 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1Cc1cnsc1 ZINC001232225733 1132439434 /nfs/dbraw/zinc/43/94/34/1132439434.db2.gz GDTWKYVTHIQKIJ-OAHLLOKOSA-N 0 1 258.390 3.789 20 0 CHADMN CC[C@H]1CC[C@H](N2Cc3cnn(-c4ccccc4)c3C2)C1 ZINC001173294984 1132444366 /nfs/dbraw/zinc/44/43/66/1132444366.db2.gz OSUSLYJJBQVZJJ-YOEHRIQHSA-N 0 1 281.403 3.767 20 0 CHADMN CC(C)Cn1nccc1CNCc1ccc2ccccc2c1 ZINC000842674507 1132448857 /nfs/dbraw/zinc/44/88/57/1132448857.db2.gz RMXSESRMDOOZJA-UHFFFAOYSA-N 0 1 293.414 3.982 20 0 CHADMN Cc1cc(Br)ncc1CN1C[C@H](C)C[C@H](C)C1 ZINC001232317647 1132452284 /nfs/dbraw/zinc/45/22/84/1132452284.db2.gz XNOHLOYNLHKBOS-PHIMTYICSA-N 0 1 297.240 3.630 20 0 CHADMN CCSC[C@H](C)N(C)Cc1cccc(F)c1F ZINC001173313282 1132452543 /nfs/dbraw/zinc/45/25/43/1132452543.db2.gz AILICPXXERYUPC-JTQLQIEISA-N 0 1 259.365 3.538 20 0 CHADMN CC/C=C\CNCc1cc(Br)cnc1Cl ZINC000842709395 1132453374 /nfs/dbraw/zinc/45/33/74/1132453374.db2.gz YFHNECVUDXJRNH-ARJAWSKDSA-N 0 1 289.604 3.553 20 0 CHADMN CSc1ccc(CN2CCC(c3ccncc3)CC2)cn1 ZINC001232328926 1132455269 /nfs/dbraw/zinc/45/52/69/1132455269.db2.gz PBCFOYGHKJKKRK-UHFFFAOYSA-N 0 1 299.443 3.578 20 0 CHADMN F[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)C[C@@H]2C[C@@H]21 ZINC001142832911 1132457021 /nfs/dbraw/zinc/45/70/21/1132457021.db2.gz NUMVNTBGOWCAHW-YESZJQIVSA-N 0 1 282.362 3.538 20 0 CHADMN CCOc1ccc(OC)cc1CN1CCC(C(F)F)CC1 ZINC001232385087 1132462710 /nfs/dbraw/zinc/46/27/10/1132462710.db2.gz GKYSVGLIUFDZMG-UHFFFAOYSA-N 0 1 299.361 3.571 20 0 CHADMN Cc1c(F)cc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cc1F ZINC001232421704 1132467051 /nfs/dbraw/zinc/46/70/51/1132467051.db2.gz NUCKJZIWVOFESP-KGLIPLIRSA-N 0 1 265.347 3.895 20 0 CHADMN Cc1c(F)cc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc1F ZINC001232421073 1132467836 /nfs/dbraw/zinc/46/78/36/1132467836.db2.gz WRNCIVWEMMSATQ-TXEJJXNPSA-N 0 1 287.300 3.750 20 0 CHADMN Cc1c(F)cc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc1F ZINC001232421073 1132467841 /nfs/dbraw/zinc/46/78/41/1132467841.db2.gz WRNCIVWEMMSATQ-TXEJJXNPSA-N 0 1 287.300 3.750 20 0 CHADMN CCN(Cc1ccnc2[nH]ccc21)Cc1ccccc1F ZINC001142882588 1132470337 /nfs/dbraw/zinc/47/03/37/1132470337.db2.gz SKXKGDFBXJBOFT-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN FC(F)(F)c1ccc(CN2CC[C@@H](c3cccnc3)C2)o1 ZINC001232443592 1132471845 /nfs/dbraw/zinc/47/18/45/1132471845.db2.gz CVRFDFPLPBPMRD-GFCCVEGCSA-N 0 1 296.292 3.683 20 0 CHADMN CN(C)Cc1ccc(NC2CCC(F)(F)CC2)cc1F ZINC000842865022 1132472227 /nfs/dbraw/zinc/47/22/27/1132472227.db2.gz RJSBEXKYDZNDAK-UHFFFAOYSA-N 0 1 286.341 3.877 20 0 CHADMN O=C1SCC[C@@H]1N[C@H]1CCCC2(CCCCC2)C1 ZINC001173348852 1132475033 /nfs/dbraw/zinc/47/50/33/1132475033.db2.gz MUDSMIAEFHCFRK-STQMWFEESA-N 0 1 267.438 3.501 20 0 CHADMN Cc1cccc(F)c1CN1CCC[C@@H]1c1cccnc1 ZINC001232481211 1132477627 /nfs/dbraw/zinc/47/76/27/1132477627.db2.gz BEPDDQVUUPTIDC-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cccc(F)c1CN1CC[C@@H]1COCc1ccccc1 ZINC001232485051 1132478285 /nfs/dbraw/zinc/47/82/85/1132478285.db2.gz POEYQKVNJWBJTL-QGZVFWFLSA-N 0 1 299.389 3.925 20 0 CHADMN CCS[C@H](C)c1noc([C@@H](CC(C)(C)C)NC)n1 ZINC000843191025 1132502140 /nfs/dbraw/zinc/50/21/40/1132502140.db2.gz AIPPLUZYEOBDTF-NXEZZACHSA-N 0 1 271.430 3.580 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1cc(F)ccn1 ZINC001232493820 1132479015 /nfs/dbraw/zinc/47/90/15/1132479015.db2.gz CQFFYIAPCKLFTB-INIZCTEOSA-N 0 1 258.340 3.804 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2cc(F)ccn2)c1 ZINC001232490995 1132479300 /nfs/dbraw/zinc/47/93/00/1132479300.db2.gz PNMVMFDYLUUBQV-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Fc1ccnc(CN2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC001232495404 1132480477 /nfs/dbraw/zinc/48/04/77/1132480477.db2.gz ZWQHRHDQMFXSCD-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1cc(F)ccc1N ZINC001232512614 1132481290 /nfs/dbraw/zinc/48/12/90/1132481290.db2.gz YPRULCIJPBOWGX-VMPITWQZSA-N 0 1 270.351 3.553 20 0 CHADMN CCCCC1CCN(Cc2c(OC)cncc2OC)CC1 ZINC001232502877 1132482121 /nfs/dbraw/zinc/48/21/21/1132482121.db2.gz VDCYLOYFVJAKPV-UHFFFAOYSA-N 0 1 292.423 3.501 20 0 CHADMN Cc1c(Br)cncc1CN1CCC[C@H](C)[C@H]1C ZINC001232532022 1132483224 /nfs/dbraw/zinc/48/32/24/1132483224.db2.gz AOQGPJOGXZVMLK-CMPLNLGQSA-N 0 1 297.240 3.773 20 0 CHADMN c1cc2cc(CN3CCC(c4ccncc4)CC3)ncc2o1 ZINC001232549735 1132485231 /nfs/dbraw/zinc/48/52/31/1132485231.db2.gz AOMIZTJOHCPQQD-UHFFFAOYSA-N 0 1 293.370 3.602 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1cccc(CF)n1 ZINC001232538378 1132485882 /nfs/dbraw/zinc/48/58/82/1132485882.db2.gz OKPURHGLDPTLPV-UHFFFAOYSA-N 0 1 272.367 3.882 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1cc2ccoc2cn1 ZINC001232555889 1132486940 /nfs/dbraw/zinc/48/69/40/1132486940.db2.gz DPFXEBVYZXBXRU-UHFFFAOYSA-N 0 1 296.370 3.859 20 0 CHADMN F[C@H]1CCC2(C1)CCN(Cc1nc3ccccc3o1)CC2 ZINC001232558719 1132487688 /nfs/dbraw/zinc/48/76/88/1132487688.db2.gz TZXGFHBTOQCVRY-ZDUSSCGKSA-N 0 1 288.366 3.932 20 0 CHADMN C[C@H]1CCN(Cc2nc3ccccc3o2)CCC1(F)F ZINC001232555046 1132487860 /nfs/dbraw/zinc/48/78/60/1132487860.db2.gz HZCXYALJPJBTAE-NSHDSACASA-N 0 1 280.318 3.695 20 0 CHADMN CCOC(=O)c1ccc(CN2CCC(C)(C)C2)c(Cl)c1 ZINC001232596596 1132490296 /nfs/dbraw/zinc/49/02/96/1132490296.db2.gz UYZYUHZOEBVYPO-UHFFFAOYSA-N 0 1 295.810 3.749 20 0 CHADMN CCOC(=O)c1ccc(CN2CCC[C@@H]3C[C@@H]32)c(Cl)c1 ZINC001232594392 1132491798 /nfs/dbraw/zinc/49/17/98/1132491798.db2.gz SJGKKNVZGCQZNE-ABAIWWIYSA-N 0 1 293.794 3.501 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2csc3c2CC[C@@H](C)C3)n1 ZINC000843146384 1132497819 /nfs/dbraw/zinc/49/78/19/1132497819.db2.gz IYQPFVICCKQOQZ-RNCFNFMXSA-N 0 1 291.420 3.579 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2cccc(-c3ccoc3)c2)n1 ZINC000843154137 1132497912 /nfs/dbraw/zinc/49/79/12/1132497912.db2.gz XUGZWSXJZQYRIT-CQSZACIVSA-N 0 1 283.331 3.652 20 0 CHADMN C/C(=C/c1cccc(Cl)c1)c1nc([C@H](N)C(C)C)no1 ZINC000843149474 1132498162 /nfs/dbraw/zinc/49/81/62/1132498162.db2.gz NUKXKQBPDRXNRW-PGJNLMOESA-N 0 1 291.782 3.939 20 0 CHADMN CC[C@H](C)[N@@H+](C)Cc1cc(F)c([O-])c(Br)c1 ZINC001232631042 1132498280 /nfs/dbraw/zinc/49/82/80/1132498280.db2.gz FETAJGKOVDTIAA-QMMMGPOBSA-N 0 1 290.176 3.524 20 0 CHADMN c1cc(CN2CCc3cnccc3C2)c2c(c1)CCCC2 ZINC001232634885 1132498583 /nfs/dbraw/zinc/49/85/83/1132498583.db2.gz ZJORXLLPFBFCMT-UHFFFAOYSA-N 0 1 278.399 3.519 20 0 CHADMN O=C1CCN(Cc2cccc3c2CCCC3)[C@H]2CCCC[C@H]12 ZINC001232633511 1132498641 /nfs/dbraw/zinc/49/86/41/1132498641.db2.gz AVTMFVITNKSRSG-OALUTQOASA-N 0 1 297.442 3.899 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@@H](C)Cc2cccc(Cl)c2)n1 ZINC000843152156 1132499181 /nfs/dbraw/zinc/49/91/81/1132499181.db2.gz PWTLYPNZCNFQTD-GXFFZTMASA-N 0 1 293.798 3.725 20 0 CHADMN CCC[C@@H](C)c1noc([C@H](CC(C)(C)C)NC)n1 ZINC000843182154 1132500237 /nfs/dbraw/zinc/50/02/37/1132500237.db2.gz KUYDGDIKKMEDDH-MNOVXSKESA-N 0 1 253.390 3.670 20 0 CHADMN C[C@@H]1CCN(Cc2occc2Br)[C@@H](C)C1 ZINC001143130924 1132505583 /nfs/dbraw/zinc/50/55/83/1132505583.db2.gz NEXDVDDDGHRQLU-ZJUUUORDSA-N 0 1 272.186 3.663 20 0 CHADMN c1coc(CNC2CCC3(CCc4ccccc43)CC2)n1 ZINC001173683665 1132507037 /nfs/dbraw/zinc/50/70/37/1132507037.db2.gz FMTQZKZJIRPMHR-UHFFFAOYSA-N 0 1 282.387 3.591 20 0 CHADMN Clc1ccc2cc(CN3CCC[C@@]4(CCO4)C3)[nH]c2c1 ZINC001232732108 1132509118 /nfs/dbraw/zinc/50/91/18/1132509118.db2.gz NVUGRQOBPLOEJM-MRXNPFEDSA-N 0 1 290.794 3.576 20 0 CHADMN CC(=O)C1CCN(Cc2cc3ccc(Cl)cc3[nH]2)CC1 ZINC001232732396 1132510421 /nfs/dbraw/zinc/51/04/21/1132510421.db2.gz RDVUZACPJKJONG-UHFFFAOYSA-N 0 1 290.794 3.622 20 0 CHADMN CCN(Cc1scc2c1OCCO2)Cc1ccccc1 ZINC001143178477 1132514325 /nfs/dbraw/zinc/51/43/25/1132514325.db2.gz GCADUKKMMCLMFS-UHFFFAOYSA-N 0 1 289.400 3.541 20 0 CHADMN Cc1cc(CN2CC[C@H](C)C[C@@H]2C)c(F)cc1F ZINC001232782673 1132518941 /nfs/dbraw/zinc/51/89/41/1132518941.db2.gz OCPFWHWNQUJXOC-JQWIXIFHSA-N 0 1 253.336 3.894 20 0 CHADMN C[C@@]1(F)CCC[N@H+](Cc2cccc([O-])c2Cl)CC1 ZINC001232783809 1132519130 /nfs/dbraw/zinc/51/91/30/1132519130.db2.gz CPJNAKSHAJNHBH-CQSZACIVSA-N 0 1 271.763 3.760 20 0 CHADMN C[C@@]1(F)CCC[N@@H+](Cc2cccc([O-])c2Cl)CC1 ZINC001232783809 1132519136 /nfs/dbraw/zinc/51/91/36/1132519136.db2.gz CPJNAKSHAJNHBH-CQSZACIVSA-N 0 1 271.763 3.760 20 0 CHADMN FC(F)c1ccc(CN2CC(c3cccnc3)C2)cc1 ZINC001143252103 1132523588 /nfs/dbraw/zinc/52/35/88/1132523588.db2.gz POKSFJKGXQDYDX-UHFFFAOYSA-N 0 1 274.314 3.619 20 0 CHADMN CCOc1ccc(CN2CCC[C@H](CC)C2)c(F)c1F ZINC001143278789 1132528130 /nfs/dbraw/zinc/52/81/30/1132528130.db2.gz OTSAQSUMWLZZRA-LBPRGKRZSA-N 0 1 283.362 3.986 20 0 CHADMN CCOc1ccc(CN2C[C@H](C)C[C@@H](C)C2)c(F)c1F ZINC001143278356 1132528728 /nfs/dbraw/zinc/52/87/28/1132528728.db2.gz FUNHUVFTDOHRQQ-VXGBXAGGSA-N 0 1 283.362 3.841 20 0 CHADMN CCOc1ccc(CN2CCC(C)(C)CC2)c(F)c1F ZINC001143276886 1132529205 /nfs/dbraw/zinc/52/92/05/1132529205.db2.gz XJBQHCRGNDDYIK-UHFFFAOYSA-N 0 1 283.362 3.986 20 0 CHADMN CC1(C)CCC[C@H](CN2CCc3cc(Cl)nnc3C2)C1 ZINC000843419026 1132530614 /nfs/dbraw/zinc/53/06/14/1132530614.db2.gz SKBDDTHTEUFWLB-LBPRGKRZSA-N 0 1 293.842 3.705 20 0 CHADMN CN(Cc1c[nH]c2ccc(O)cc12)Cc1ccccc1F ZINC001232866308 1132532423 /nfs/dbraw/zinc/53/24/23/1132532423.db2.gz VQNNGMVRVVBMAA-UHFFFAOYSA-N 0 1 284.334 3.645 20 0 CHADMN Cc1csc(CN2CC3(CC=CC3)[C@@H]2C(C)C)n1 ZINC000843432070 1132532603 /nfs/dbraw/zinc/53/26/03/1132532603.db2.gz PROKBHLQGIMKQK-AWEZNQCLSA-N 0 1 262.422 3.628 20 0 CHADMN CCCN(C)Cc1c(OC)ccc(F)c1C(F)(F)F ZINC001143295022 1132533749 /nfs/dbraw/zinc/53/37/49/1132533749.db2.gz CYDAPSSKKOQNSK-UHFFFAOYSA-N 0 1 279.277 3.695 20 0 CHADMN Cc1ccccc1[C@H](N)C(=O)N(C)c1ccc(C(C)C)cc1 ZINC000843444968 1132534294 /nfs/dbraw/zinc/53/42/94/1132534294.db2.gz NSFPOAYWEACGPK-SFHVURJKSA-N 0 1 296.414 3.781 20 0 CHADMN Cc1ccc(Nc2cc(F)ccc2N2CCN(C)CC2)cc1 ZINC001173802012 1132535684 /nfs/dbraw/zinc/53/56/84/1132535684.db2.gz JQRXONWBBUERTR-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN CN(Cc1ccccn1)Cc1ccccc1-n1cccc1 ZINC001232908945 1132543158 /nfs/dbraw/zinc/54/31/58/1132543158.db2.gz AQVDMASATWRJEO-UHFFFAOYSA-N 0 1 277.371 3.504 20 0 CHADMN CCN(Cc1cccs1)Cc1ccc(OC(F)F)nc1 ZINC001232957617 1132550700 /nfs/dbraw/zinc/55/07/00/1132550700.db2.gz OOUIZKZHLBRFEI-UHFFFAOYSA-N 0 1 298.358 3.767 20 0 CHADMN [O-]c1cc(C[N@H+]2CCC3(C2)CCCCC3)cc(F)c1F ZINC001232975310 1132556056 /nfs/dbraw/zinc/55/60/56/1132556056.db2.gz ZSAUUHHEEIDEQC-UHFFFAOYSA-N 0 1 281.346 3.827 20 0 CHADMN Cc1ncc(F)cc1CN1CCC[C@H]1c1cccs1 ZINC001232988728 1132558232 /nfs/dbraw/zinc/55/82/32/1132558232.db2.gz GMXDVIFSOKZRDL-AWEZNQCLSA-N 0 1 276.380 3.928 20 0 CHADMN CC(C)CN(CC(C)(C)C)C(=O)c1cc(F)cc(F)c1O ZINC001150719832 1132558948 /nfs/dbraw/zinc/55/89/48/1132558948.db2.gz OXDXVDIVXFLCCC-UHFFFAOYSA-N 0 1 299.361 3.815 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCCC[C@H](C)C1 ZINC001233017965 1132562731 /nfs/dbraw/zinc/56/27/31/1132562731.db2.gz NIDXLNXYVFWYEC-LBPRGKRZSA-N 0 1 281.421 3.547 20 0 CHADMN Cc1cc(C)c(CN2CCSC[C@H]2c2ccccc2)cn1 ZINC001233007026 1132562751 /nfs/dbraw/zinc/56/27/51/1132562751.db2.gz JUKGSJOJQQTMGJ-SFHVURJKSA-N 0 1 298.455 3.989 20 0 CHADMN Cc1cc(C)c(CN2CCCC[C@H]2c2cccnc2)cn1 ZINC001233007582 1132563477 /nfs/dbraw/zinc/56/34/77/1132563477.db2.gz PNOPVDZYIPHSJT-SFHVURJKSA-N 0 1 281.403 3.821 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cnc(C)cc2C)cn1 ZINC001233009676 1132563584 /nfs/dbraw/zinc/56/35/84/1132563584.db2.gz JAIBBUHBXCFODB-SFHVURJKSA-N 0 1 281.403 3.739 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCC[C@@H](C)[C@@H]1C ZINC001233020581 1132565192 /nfs/dbraw/zinc/56/51/92/1132565192.db2.gz NPJVLAGDCRUDTF-NEPJUHHUSA-N 0 1 281.421 3.545 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCCCC[C@H]1C ZINC001233018859 1132565653 /nfs/dbraw/zinc/56/56/53/1132565653.db2.gz CPLZSTQYOKRUBH-GFCCVEGCSA-N 0 1 281.421 3.689 20 0 CHADMN Oc1cccc(CN2CC[C@@H](c3ccccc3F)C2)c1F ZINC001233053537 1132566498 /nfs/dbraw/zinc/56/64/98/1132566498.db2.gz SDQOGODIZDWRIN-GFCCVEGCSA-N 0 1 289.325 3.660 20 0 CHADMN Oc1cccc(CN2CCC[C@H]2c2cccs2)c1F ZINC001233052400 1132567141 /nfs/dbraw/zinc/56/71/41/1132567141.db2.gz LXMDAHFBFFGHQQ-LBPRGKRZSA-N 0 1 277.364 3.930 20 0 CHADMN CC(C)C[NH+](Cc1cccc([O-])c1F)CC(C)C ZINC001233049211 1132568514 /nfs/dbraw/zinc/56/85/14/1132568514.db2.gz KJOAYEGZKGPMJB-UHFFFAOYSA-N 0 1 253.361 3.645 20 0 CHADMN Fc1ccc2c(c1)[nH]nc2CN1CC[C@@H]1c1ccccc1 ZINC001233122556 1132572191 /nfs/dbraw/zinc/57/21/91/1132572191.db2.gz AJCBZCRVMSBERY-QGZVFWFLSA-N 0 1 281.334 3.649 20 0 CHADMN Cc1cc(CN2CC=C(c3ccccc3)CC2)cnc1C ZINC001233161197 1132574663 /nfs/dbraw/zinc/57/46/63/1132574663.db2.gz WKPZEBSVRWVYKY-UHFFFAOYSA-N 0 1 278.399 3.988 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CCC[C@@H]2CCC[C@H]21 ZINC001233172252 1132576239 /nfs/dbraw/zinc/57/62/39/1132576239.db2.gz NUSCEWTYBNVDFB-SWLSCSKDSA-N 0 1 294.826 3.898 20 0 CHADMN CCOc1ncc(Cl)cc1CN1CCCC1(C)C ZINC001233169339 1132577489 /nfs/dbraw/zinc/57/74/89/1132577489.db2.gz MLIPDZBFWZLNLE-UHFFFAOYSA-N 0 1 268.788 3.508 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3csc(C(F)(F)F)c3)C[C@@H]21 ZINC001233177279 1132579260 /nfs/dbraw/zinc/57/92/60/1132579260.db2.gz HNCHEVFFGGQANS-AOOOYVTPSA-N 0 1 275.339 3.855 20 0 CHADMN Cc1c(Br)ccc(CN2C[C@@H]3C[C@@H]3C2)c1C ZINC001233221060 1132583242 /nfs/dbraw/zinc/58/32/42/1132583242.db2.gz UCCDKUBHHQFIFO-BETUJISGSA-N 0 1 280.209 3.518 20 0 CHADMN COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233258617 1132591049 /nfs/dbraw/zinc/59/10/49/1132591049.db2.gz MDUXSOGBLBAJHK-HNNXBMFYSA-N 0 1 299.439 3.973 20 0 CHADMN [S-]c1ccc(C[N@H+]2CCc3ccsc3C2)cc1 ZINC001233261553 1132591531 /nfs/dbraw/zinc/59/15/31/1132591531.db2.gz UBKNHQUCBXOLFN-UHFFFAOYSA-N 0 1 261.415 3.595 20 0 CHADMN CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc([S-])cc1)C2 ZINC001233260247 1132591773 /nfs/dbraw/zinc/59/17/73/1132591773.db2.gz WEAXHXNTTWTUQN-WBVHZDCISA-N 0 1 291.460 3.614 20 0 CHADMN COc1cccc2c1CC[N@@H+](Cc1ccc([S-])cc1)C2 ZINC001233262383 1132592416 /nfs/dbraw/zinc/59/24/16/1132592416.db2.gz DEXLJCQDCOWPMT-UHFFFAOYSA-N 0 1 285.412 3.542 20 0 CHADMN Cc1cc(CN2Cc3ccccc3[C@@H](C)C2)sn1 ZINC001233310062 1132597014 /nfs/dbraw/zinc/59/70/14/1132597014.db2.gz PBQWNJQERMNJIL-NSHDSACASA-N 0 1 258.390 3.571 20 0 CHADMN CC(C)(C)c1cccc(NC(=O)c2cnc3nc[nH]c3c2)c1 ZINC001153732806 1132599737 /nfs/dbraw/zinc/59/97/37/1132599737.db2.gz KTCYWBCBAIEPOS-UHFFFAOYSA-N 0 1 294.358 3.508 20 0 CHADMN F[C@H]1CCN(Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001233329818 1132601691 /nfs/dbraw/zinc/60/16/91/1132601691.db2.gz LZHARUPSOKRHSF-SFHVURJKSA-N 0 1 269.363 3.821 20 0 CHADMN Oc1cccc2c1CCN(Cc1cc3cccnc3s1)C2 ZINC001233346287 1132606301 /nfs/dbraw/zinc/60/63/01/1132606301.db2.gz YIIMQYFXXXWARF-UHFFFAOYSA-N 0 1 296.395 3.560 20 0 CHADMN CSc1cccc(Cl)c1CN1CC[C@]2(CCCO2)C1 ZINC001233350557 1132608271 /nfs/dbraw/zinc/60/82/71/1132608271.db2.gz LAXHBMLWRONMRL-OAHLLOKOSA-N 0 1 297.851 3.817 20 0 CHADMN CSc1cccc(Cl)c1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001233353031 1132609849 /nfs/dbraw/zinc/60/98/49/1132609849.db2.gz DKOZFMWPTXTFEZ-BXUZGUMPSA-N 0 1 297.851 3.673 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cnc3cccc(Cl)n23)[C@H]1C ZINC001233358413 1132610330 /nfs/dbraw/zinc/61/03/30/1132610330.db2.gz GMKHONPNNDMWKX-NEPJUHHUSA-N 0 1 277.799 3.608 20 0 CHADMN C[C@@H]1CCCN(Cc2cnc3cccc(Cl)n23)[C@H]1C ZINC001233358413 1132610332 /nfs/dbraw/zinc/61/03/32/1132610332.db2.gz GMKHONPNNDMWKX-NEPJUHHUSA-N 0 1 277.799 3.608 20 0 CHADMN C[C@@H]1CCN(Cc2cnc3cccc(Cl)n23)[C@@H](C)C1 ZINC001233359430 1132610373 /nfs/dbraw/zinc/61/03/73/1132610373.db2.gz WJIQBLSVJRFOTC-NEPJUHHUSA-N 0 1 277.799 3.608 20 0 CHADMN CC(C)CN(C)Cc1cc(Br)ncc1Cl ZINC001233425054 1132620335 /nfs/dbraw/zinc/62/03/35/1132620335.db2.gz KQDICMLBLPUMLC-UHFFFAOYSA-N 0 1 291.620 3.585 20 0 CHADMN Clc1ccn2cc(CN3CCC34CCCC4)nc2c1 ZINC001233389576 1132615070 /nfs/dbraw/zinc/61/50/70/1132615070.db2.gz QBBYUACEWIRLKG-UHFFFAOYSA-N 0 1 275.783 3.506 20 0 CHADMN CC(C)C[NH+](Cc1c(F)ccc([O-])c1F)CC(C)C ZINC001233393408 1132615676 /nfs/dbraw/zinc/61/56/76/1132615676.db2.gz SNAHOXMKZJXPPO-UHFFFAOYSA-N 0 1 271.351 3.784 20 0 CHADMN COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H](C)C2)c(Cl)c1[O-] ZINC001233397686 1132616773 /nfs/dbraw/zinc/61/67/73/1132616773.db2.gz IYVINXOZQREWFI-RYUDHWBXSA-N 0 1 297.826 3.922 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H](C)C2)c(Cl)c1[O-] ZINC001233397686 1132616776 /nfs/dbraw/zinc/61/67/76/1132616776.db2.gz IYVINXOZQREWFI-RYUDHWBXSA-N 0 1 297.826 3.922 20 0 CHADMN COc1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c(Cl)c1[O-] ZINC001233398125 1132617018 /nfs/dbraw/zinc/61/70/18/1132617018.db2.gz ZOSGHBHYKDFQMB-RYUDHWBXSA-N 0 1 295.810 3.676 20 0 CHADMN CCCCOc1c(F)c(F)ccc1Nc1ccncc1 ZINC001173883447 1132623090 /nfs/dbraw/zinc/62/30/90/1132623090.db2.gz PRXAXTKMNONHGA-UHFFFAOYSA-N 0 1 278.302 3.704 20 0 CHADMN Fc1ccccc1Oc1ccc(Nc2ccncc2)cn1 ZINC001173881369 1132623193 /nfs/dbraw/zinc/62/31/93/1132623193.db2.gz OOJKHSRBBKRTAY-UHFFFAOYSA-N 0 1 281.290 3.574 20 0 CHADMN c1cc(Nc2ccc3c(c2)OC2(CCCCC2)O3)ccn1 ZINC001173883280 1132623604 /nfs/dbraw/zinc/62/36/04/1132623604.db2.gz FKBBYWNJHIIMCM-UHFFFAOYSA-N 0 1 282.343 3.679 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1ccc2nc(Cl)ccc2c1 ZINC001233442249 1132624028 /nfs/dbraw/zinc/62/40/28/1132624028.db2.gz KTVLRCHJSODBLP-ZWNOBZJWSA-N 0 1 278.758 3.821 20 0 CHADMN Fc1ccc(Oc2ccc(Nc3ccncc3)cn2)c(F)c1 ZINC001173881792 1132624161 /nfs/dbraw/zinc/62/41/61/1132624161.db2.gz KCLLYUVKNKFRJH-UHFFFAOYSA-N 0 1 299.280 3.713 20 0 CHADMN C[C@@H]1CCCN(Cc2cn3c(cccc3Cl)n2)C[C@H]1C ZINC001233550907 1132635797 /nfs/dbraw/zinc/63/57/97/1132635797.db2.gz MCQKJUQESJRMCA-CHWSQXEVSA-N 0 1 291.826 3.856 20 0 CHADMN Cc1cc(F)ccc1Nc1ccccc1N1CCN(C)CC1 ZINC001173968651 1132638080 /nfs/dbraw/zinc/63/80/80/1132638080.db2.gz SHRANNSQNKSMSR-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN C[C@H]1CCC[C@@]1(C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC001155070887 1132639727 /nfs/dbraw/zinc/63/97/27/1132639727.db2.gz ZNYYOWJWLORFLI-RMLUDKJBSA-N 0 1 285.746 3.950 20 0 CHADMN CCc1ccccc1Nc1ccccc1N1CCN(C)CC1 ZINC001173969747 1132640366 /nfs/dbraw/zinc/64/03/66/1132640366.db2.gz RHSLLHZWQSWZHY-UHFFFAOYSA-N 0 1 295.430 3.744 20 0 CHADMN COc1cc(Nc2ccc3[nH]ccc3c2)ncc1C ZINC001173938456 1132650002 /nfs/dbraw/zinc/65/00/02/1132650002.db2.gz QDYYWLTXULDIEN-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cc1cc(CN2CCc3c(O)cccc3C2)sc1C ZINC001233655173 1132657056 /nfs/dbraw/zinc/65/70/56/1132657056.db2.gz IULURARQYGXZEO-UHFFFAOYSA-N 0 1 273.401 3.629 20 0 CHADMN Cc1cccc(Nc2ccccc2N2CCN(C)CC2)c1C ZINC001173954578 1132661959 /nfs/dbraw/zinc/66/19/59/1132661959.db2.gz YWZQXEWFYRRAJQ-UHFFFAOYSA-N 0 1 295.430 3.799 20 0 CHADMN O=C(c1cccc2cncn21)N1CCC[C@@H]1C1CCCCC1 ZINC001155793727 1132665117 /nfs/dbraw/zinc/66/51/17/1132665117.db2.gz WYFUSQHPDWJDED-MRXNPFEDSA-N 0 1 297.402 3.519 20 0 CHADMN Cc1ccccc1OCCCNc1ccc2c(n1)CCC2 ZINC001156034431 1132678992 /nfs/dbraw/zinc/67/89/92/1132678992.db2.gz MALRANXITLKAIB-UHFFFAOYSA-N 0 1 282.387 3.760 20 0 CHADMN Cc1cc(Nc2ccc(C)cc2C)n(-c2ccncc2)n1 ZINC001174013085 1132679785 /nfs/dbraw/zinc/67/97/85/1132679785.db2.gz TYPYLXXLVRVACD-UHFFFAOYSA-N 0 1 278.359 3.936 20 0 CHADMN CC(C)N(CC1CCC1)C(=O)c1ccc(Cl)c(O)c1 ZINC001156140708 1132683311 /nfs/dbraw/zinc/68/33/11/1132683311.db2.gz LCKQCRGNAJRKNR-UHFFFAOYSA-N 0 1 281.783 3.696 20 0 CHADMN Cc1cnc(NCc2cnc3ccccc3c2)c(C)c1 ZINC001156174988 1132686183 /nfs/dbraw/zinc/68/61/83/1132686183.db2.gz FMKXRFSEJDLKSU-UHFFFAOYSA-N 0 1 263.344 3.859 20 0 CHADMN Cc1cc(Nc2ccc(C)c(F)c2)n(-c2ccncc2)n1 ZINC001174020128 1132693435 /nfs/dbraw/zinc/69/34/35/1132693435.db2.gz XJWZKXKATUBRMM-UHFFFAOYSA-N 0 1 282.322 3.767 20 0 CHADMN Cc1ccc(Nc2ccccc2N2CCN(C)CC2)cc1F ZINC001174020423 1132693604 /nfs/dbraw/zinc/69/36/04/1132693604.db2.gz MQXPSAVZQCDWRJ-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN CC(CC(=O)OC(C)C)=Nc1nccc2ccsc21 ZINC001156513822 1132701030 /nfs/dbraw/zinc/70/10/30/1132701030.db2.gz CVVIIIRTPVXGLM-NTMALXAHSA-N 0 1 276.361 3.564 20 0 CHADMN [S-]c1ccccc1Nc1cc[nH+]c2ccccc12 ZINC001174038521 1132701526 /nfs/dbraw/zinc/70/15/26/1132701526.db2.gz OSKUJKXCPXZTAM-UHFFFAOYSA-N 0 1 252.342 3.689 20 0 CHADMN c1ccc2nc(Nc3ccnc4ccccc43)ccc2c1 ZINC001174037237 1132702213 /nfs/dbraw/zinc/70/22/13/1132702213.db2.gz KMTONZFVWGEUSC-UHFFFAOYSA-N 0 1 271.323 3.949 20 0 CHADMN CN(C)c1cccc(N(C)C(C)(C)Cc2ccccc2)n1 ZINC001156515744 1132702253 /nfs/dbraw/zinc/70/22/53/1132702253.db2.gz ONQNKAYFZRWGED-UHFFFAOYSA-N 0 1 283.419 3.605 20 0 CHADMN CCOc1ccnc(NCc2nccc3ccccc32)c1 ZINC001156862867 1132711307 /nfs/dbraw/zinc/71/13/07/1132711307.db2.gz LYTAKEOGEHSMEZ-UHFFFAOYSA-N 0 1 279.343 3.641 20 0 CHADMN CC(C)c1ncc(CNC(=O)C(C)(C)C2CCCCC2)[nH]1 ZINC001157118459 1132722219 /nfs/dbraw/zinc/72/22/19/1132722219.db2.gz AQFMOLKKURXIGM-UHFFFAOYSA-N 0 1 291.439 3.756 20 0 CHADMN N=C(N)N(c1ccc(F)cc1)c1ccc2ccc(F)cc2n1 ZINC001157231494 1132725254 /nfs/dbraw/zinc/72/52/54/1132725254.db2.gz VITMBFUBGIBAPM-UHFFFAOYSA-N 0 1 298.296 3.545 20 0 CHADMN CCc1cc(NC(=O)c2c(O)cccc2Cl)ccc1F ZINC001157295489 1132726804 /nfs/dbraw/zinc/72/68/04/1132726804.db2.gz WDJSCAISAATMTD-UHFFFAOYSA-N 0 1 293.725 3.999 20 0 CHADMN Cc1cnc(N[C@@H]2CCNc3ccccc32)cc1C ZINC001157837163 1132747324 /nfs/dbraw/zinc/74/73/24/1132747324.db2.gz PILIGRWMPSFYKJ-OAHLLOKOSA-N 0 1 253.349 3.667 20 0 CHADMN CC(C)(C)c1nc[nH]c1C(=O)Nc1nccc2ccccc21 ZINC001157880120 1132751644 /nfs/dbraw/zinc/75/16/44/1132751644.db2.gz CWEVTPWTNFEFAX-UHFFFAOYSA-N 0 1 294.358 3.508 20 0 CHADMN CCOc1ccc(C)cc1Nc1ccc2nccn2c1 ZINC001174279142 1132768669 /nfs/dbraw/zinc/76/86/69/1132768669.db2.gz PHQXRUFVKRFMSY-UHFFFAOYSA-N 0 1 267.332 3.785 20 0 CHADMN c1cn2cc(Nc3ccccc3OCC3CC3)ccc2n1 ZINC001174280261 1132770625 /nfs/dbraw/zinc/77/06/25/1132770625.db2.gz RWUAWKMSKJWFQK-UHFFFAOYSA-N 0 1 279.343 3.867 20 0 CHADMN CC(C)Oc1ccnc(N[C@@H]2CCCC(F)(F)C2)c1 ZINC001158336583 1132771368 /nfs/dbraw/zinc/77/13/68/1132771368.db2.gz WUXLUXDLDAPZKI-LLVKDONJSA-N 0 1 270.323 3.859 20 0 CHADMN CC[C@H]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(O)c1 ZINC001158375972 1132773480 /nfs/dbraw/zinc/77/34/80/1132773480.db2.gz JDHKXSIADZNEQI-CMPLNLGQSA-N 0 1 281.783 3.602 20 0 CHADMN COc1ccc2c(ccnc2NCCc2cc(C)ccn2)c1 ZINC001158432772 1132774994 /nfs/dbraw/zinc/77/49/94/1132774994.db2.gz GMVNOODGNFUQNR-UHFFFAOYSA-N 0 1 293.370 3.601 20 0 CHADMN Cc1cnc(N[C@H]2C[C@@H](C)c3ccccc32)c(N)c1 ZINC001158474797 1132780030 /nfs/dbraw/zinc/78/00/30/1132780030.db2.gz UMKDKBAZRNRCAK-ABAIWWIYSA-N 0 1 253.349 3.633 20 0 CHADMN Oc1ccc(Nc2ccc3nccn3c2)c2ccccc12 ZINC001174278431 1132785522 /nfs/dbraw/zinc/78/55/22/1132785522.db2.gz DKBDYYCIWMUMIX-UHFFFAOYSA-N 0 1 275.311 3.937 20 0 CHADMN c1cn2cc(Nc3csc4ncccc34)ccc2n1 ZINC001174277532 1132785958 /nfs/dbraw/zinc/78/59/58/1132785958.db2.gz YHAHSHKEWLYAPX-UHFFFAOYSA-N 0 1 266.329 3.688 20 0 CHADMN CC(C)OC(=O)c1cccc(Nc2ccc3nccn3c2)c1 ZINC001174277624 1132786354 /nfs/dbraw/zinc/78/63/54/1132786354.db2.gz JJKNCZARURMJNG-UHFFFAOYSA-N 0 1 295.342 3.643 20 0 CHADMN Cc1nc2c(cccc2Nc2ccc3nccn3c2)o1 ZINC001174278834 1132787350 /nfs/dbraw/zinc/78/73/50/1132787350.db2.gz KKUKMJQBNNZBGJ-UHFFFAOYSA-N 0 1 264.288 3.528 20 0 CHADMN CC(C)Oc1ccccc1Nc1ccc2nccn2c1 ZINC001174278798 1132787550 /nfs/dbraw/zinc/78/75/50/1132787550.db2.gz ITENZDYHFMSWME-UHFFFAOYSA-N 0 1 267.332 3.865 20 0 CHADMN Cc1cccc2ncc(Nc3ccnc(OCC4CC4)c3)n21 ZINC001213016089 1132797866 /nfs/dbraw/zinc/79/78/66/1132797866.db2.gz BBKJKWTVZLIWLM-UHFFFAOYSA-N 0 1 294.358 3.570 20 0 CHADMN Cc1cc(Nc2cccc3[nH]ncc32)n(C(C)(C)C)n1 ZINC001174342288 1132799286 /nfs/dbraw/zinc/79/92/86/1132799286.db2.gz IPRXTOJVPGPGSB-UHFFFAOYSA-N 0 1 269.352 3.566 20 0 CHADMN c1n[nH]c2cccc(Nc3cc(Cc4ccccc4)no3)c12 ZINC001174342070 1132799960 /nfs/dbraw/zinc/79/99/60/1132799960.db2.gz DATDUEGLZMHXLC-UHFFFAOYSA-N 0 1 290.326 3.885 20 0 CHADMN c1n[nH]c2cccc(Nc3snnc3-c3ccccc3)c12 ZINC001174343038 1132800761 /nfs/dbraw/zinc/80/07/61/1132800761.db2.gz GODTUYBHSHRGLN-UHFFFAOYSA-N 0 1 293.355 3.825 20 0 CHADMN c1n[nH]c2cccc(Nc3csc(-c4ccncc4)n3)c12 ZINC001174344549 1132800876 /nfs/dbraw/zinc/80/08/76/1132800876.db2.gz FWCFEUIVHQNGHF-UHFFFAOYSA-N 0 1 293.355 3.825 20 0 CHADMN CCOc1ccccc1Nc1cccc2[nH]ncc21 ZINC001174344336 1132801196 /nfs/dbraw/zinc/80/11/96/1132801196.db2.gz VMLCBCXJMQUWCF-UHFFFAOYSA-N 0 1 253.305 3.705 20 0 CHADMN Clc1ccc2nncc(Nc3cccc4[nH]ncc43)c2c1 ZINC001174343293 1132801314 /nfs/dbraw/zinc/80/13/14/1132801314.db2.gz OYIOFPKVROQUGI-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Cc1nc2ccc(Nc3cccc4[nH]ncc43)cc2o1 ZINC001174343971 1132802000 /nfs/dbraw/zinc/80/20/00/1132802000.db2.gz HWBCSEAPHCPQIW-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN CN1CCCc2ccc(Nc3cccc4[nH]ncc43)cc21 ZINC001174344296 1132802076 /nfs/dbraw/zinc/80/20/76/1132802076.db2.gz SYHJVAGKPYZKNX-UHFFFAOYSA-N 0 1 278.359 3.689 20 0 CHADMN c1n[nH]c2cccc(Nc3cnccc3C3CC3)c12 ZINC001174342972 1132802256 /nfs/dbraw/zinc/80/22/56/1132802256.db2.gz JURCQRDEWZQEOI-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN c1n[nH]c2cccc(Nc3cncc(C4CCC4)c3)c12 ZINC001174343476 1132802423 /nfs/dbraw/zinc/80/24/23/1132802423.db2.gz SRMISBKDLSGSDR-UHFFFAOYSA-N 0 1 264.332 3.969 20 0 CHADMN CC(=O)c1ccc(F)c(Nc2cccc3[nH]ncc32)c1 ZINC001174345704 1132804166 /nfs/dbraw/zinc/80/41/66/1132804166.db2.gz NUXBFWCKRQVOLS-UHFFFAOYSA-N 0 1 269.279 3.648 20 0 CHADMN Nc1ccc(C(F)(F)F)cc1Nc1cccc2[nH]ncc21 ZINC001174345109 1132804377 /nfs/dbraw/zinc/80/43/77/1132804377.db2.gz YUQUSCLLPQCZHC-UHFFFAOYSA-N 0 1 292.264 3.908 20 0 CHADMN COc1cc(Nc2cccc3[nH]ncc32)ccc1C(C)=O ZINC001174345422 1132804982 /nfs/dbraw/zinc/80/49/82/1132804982.db2.gz ZQCYLAWQTSANQK-UHFFFAOYSA-N 0 1 281.315 3.518 20 0 CHADMN Oc1c(F)cccc1NC1=CCCN(Cc2ccccc2)C1 ZINC001174395930 1132812471 /nfs/dbraw/zinc/81/24/71/1132812471.db2.gz ALZXXLQZSWMNJV-UHFFFAOYSA-N 0 1 298.361 3.733 20 0 CHADMN Cc1cc2ccccc2c(N[C@H](C(=O)NC(C)C)C(C)C)n1 ZINC001159168723 1132813017 /nfs/dbraw/zinc/81/30/17/1132813017.db2.gz NNZGGVFKBLGXJU-INIZCTEOSA-N 0 1 299.418 3.504 20 0 CHADMN Cc1sccc1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159308173 1132827185 /nfs/dbraw/zinc/82/71/85/1132827185.db2.gz HXUYKPLDGOTRAQ-NSHDSACASA-N 0 1 263.366 3.603 20 0 CHADMN Cc1c(F)cccc1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159308741 1132828480 /nfs/dbraw/zinc/82/84/80/1132828480.db2.gz MQCAQZSFXWRICE-ZDUSSCGKSA-N 0 1 275.327 3.680 20 0 CHADMN Cc1cccc(Nc2cc([C@H]3CCCCN3)no2)c1C ZINC001159308526 1132828499 /nfs/dbraw/zinc/82/84/99/1132828499.db2.gz JSLVZQQJYSPEST-CQSZACIVSA-N 0 1 271.364 3.850 20 0 CHADMN C=Cc1cccc(Nc2cc([C@H]3CCCCN3)no2)c1 ZINC001159313740 1132829342 /nfs/dbraw/zinc/82/93/42/1132829342.db2.gz SVDNFVMYWZIQPK-CQSZACIVSA-N 0 1 269.348 3.876 20 0 CHADMN Cc1cscc1Nc1cc([C@H]2CCCCN2)no1 ZINC001159313756 1132829403 /nfs/dbraw/zinc/82/94/03/1132829403.db2.gz TWILZTBCZWTHJU-SNVBAGLBSA-N 0 1 263.366 3.603 20 0 CHADMN Cc1ccc(Nc2cc([C@@H]3CCCCN3)no2)c(F)c1F ZINC001159312999 1132829877 /nfs/dbraw/zinc/82/98/77/1132829877.db2.gz ICWZRMONCBAGJW-JTQLQIEISA-N 0 1 293.317 3.819 20 0 CHADMN Fc1cccnc1CN[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC001206223991 1132846987 /nfs/dbraw/zinc/84/69/87/1132846987.db2.gz ISZJLFDHLNYMSW-NOZJJQNGSA-N 0 1 294.732 3.659 20 0 CHADMN Nc1ccc(Nc2ccc3c[nH]nc3c2)c(C(F)(F)F)c1 ZINC001174500269 1132860472 /nfs/dbraw/zinc/86/04/72/1132860472.db2.gz NNAFMVFMZUDHJI-UHFFFAOYSA-N 0 1 292.264 3.908 20 0 CHADMN c1[nH]nc2cc(Nc3cccc4ncccc43)ccc12 ZINC001174499210 1132864562 /nfs/dbraw/zinc/86/45/62/1132864562.db2.gz PWXMNDIJOMELEJ-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN c1n[nH]c2cccc(Nc3ccc4c(c3)CCCO4)c12 ZINC001159574027 1132864803 /nfs/dbraw/zinc/86/48/03/1132864803.db2.gz HKWTZGJQCFOYEL-UHFFFAOYSA-N 0 1 265.316 3.632 20 0 CHADMN COc1ccc(Nc2cccc3[nH]ncc32)cc1C ZINC001159574000 1132865001 /nfs/dbraw/zinc/86/50/01/1132865001.db2.gz GCQIXMAYLXYRRL-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN c1n[nH]c2cc(Nc3nc(-c4ccncc4)cs3)ccc12 ZINC001174499771 1132872326 /nfs/dbraw/zinc/87/23/26/1132872326.db2.gz WRKJWVHQTGDGSF-UHFFFAOYSA-N 0 1 293.355 3.825 20 0 CHADMN Nc1cccc(Cl)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001159623668 1132877762 /nfs/dbraw/zinc/87/77/62/1132877762.db2.gz KLCJFVGXWSONEL-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN COc1ccnc(N[C@@H](C)c2ccc(C)cc2C)c1 ZINC001159632070 1132879204 /nfs/dbraw/zinc/87/92/04/1132879204.db2.gz XIMYDJUAOFNLRK-ZDUSSCGKSA-N 0 1 256.349 3.880 20 0 CHADMN CC(C)(C)Oc1ncccc1Nc1ccc2c[nH]nc2c1 ZINC001159663315 1132886370 /nfs/dbraw/zinc/88/63/70/1132886370.db2.gz VPEFXKVQBQLDNN-UHFFFAOYSA-N 0 1 282.347 3.879 20 0 CHADMN COC(=O)[C@H](C)c1ccc(Nc2ccc3c[nH]nc3c2)cc1 ZINC001174500819 1132902852 /nfs/dbraw/zinc/90/28/52/1132902852.db2.gz POGPKNVQLHXRKO-LLVKDONJSA-N 0 1 295.342 3.583 20 0 CHADMN COc1ccc(Nc2ccc3c[nH]nc3c2)c2ccncc12 ZINC001174500709 1132902911 /nfs/dbraw/zinc/90/29/11/1132902911.db2.gz PHPRICNIEOZKDD-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN O=C1CCCc2cccc(Nc3ccc4c[nH]nc4c3)c21 ZINC001174501166 1132903414 /nfs/dbraw/zinc/90/34/14/1132903414.db2.gz XVHNJJONECFNRS-UHFFFAOYSA-N 0 1 277.327 3.826 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1c(N)cccc1F ZINC001159904358 1132921465 /nfs/dbraw/zinc/92/14/65/1132921465.db2.gz YUQWHANOVCIORA-UHFFFAOYSA-N 0 1 283.306 3.708 20 0 CHADMN CC(=O)c1ccc([C@H](C)Nc2ccc3c(n2)CCC3)cc1 ZINC001159907166 1132922150 /nfs/dbraw/zinc/92/21/50/1132922150.db2.gz WBRHELFUPAGGJH-LBPRGKRZSA-N 0 1 280.371 3.946 20 0 CHADMN Nc1cc(Nc2cc(Cl)cc3[nH]ncc32)ccc1F ZINC001160243425 1132950713 /nfs/dbraw/zinc/95/07/13/1132950713.db2.gz NCSPBQIYZVUIPE-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(Cl)cc3N)ccc12 ZINC001160263984 1132953699 /nfs/dbraw/zinc/95/36/99/1132953699.db2.gz PCUUSAMVMGFOJX-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc(Cl)cc2N)c1F ZINC001160267729 1132954675 /nfs/dbraw/zinc/95/46/75/1132954675.db2.gz XUUCFQCKAOAALY-UHFFFAOYSA-N 0 1 293.773 3.867 20 0 CHADMN Cc1ccc(N)c(Nc2c3cn[nH]c3ccc2C)c1 ZINC001160331954 1132962840 /nfs/dbraw/zinc/96/28/40/1132962840.db2.gz YGDFCKXJHTXRIN-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN Cc1cccc([C@H](C)N2C[C@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC001174723758 1132967041 /nfs/dbraw/zinc/96/70/41/1132967041.db2.gz FGILXBIHINKYGJ-HEHGZKQESA-N 0 1 283.362 3.801 20 0 CHADMN CCOc1ccnc(N[C@H](c2ccccc2)C2(O)CCC2)c1 ZINC001160535974 1132974161 /nfs/dbraw/zinc/97/41/61/1132974161.db2.gz JZIKEMCJYSKLNX-QGZVFWFLSA-N 0 1 298.386 3.549 20 0 CHADMN Cc1cnc(NCCc2c(Cl)ccc(C)c2F)c(N)c1 ZINC001160801661 1132981703 /nfs/dbraw/zinc/98/17/03/1132981703.db2.gz BVPVKIJOAVSIQJ-UHFFFAOYSA-N 0 1 293.773 3.728 20 0 CHADMN Cc1cnc(NCCc2ccc(C(C)C)cc2)c(N)c1 ZINC001160813585 1132982640 /nfs/dbraw/zinc/98/26/40/1132982640.db2.gz UUOVRUYNMROEDN-UHFFFAOYSA-N 0 1 269.392 3.750 20 0 CHADMN COCc1ccc(CNc2cc(OC(C)C)ccn2)cc1 ZINC001161327627 1132997446 /nfs/dbraw/zinc/99/74/46/1132997446.db2.gz YOMTYYSGJMNWLG-UHFFFAOYSA-N 0 1 286.375 3.627 20 0 CHADMN Cc1cccc(C(C)(C)CNc2cc(C)c(C)cn2)n1 ZINC001161643574 1133012907 /nfs/dbraw/zinc/01/29/07/1133012907.db2.gz DUXKKXAFVFUDHB-UHFFFAOYSA-N 0 1 269.392 3.792 20 0 CHADMN CC(C)(C)CCNc1cc(Br)cc2cncn21 ZINC001161681010 1133014600 /nfs/dbraw/zinc/01/46/00/1133014600.db2.gz FRYNMXCDISSHJA-UHFFFAOYSA-N 0 1 296.212 3.945 20 0 CHADMN Cc1ccc(N[C@H](c2cncc(F)c2)C2CC2)nc1C ZINC001161812717 1133030853 /nfs/dbraw/zinc/03/08/53/1133030853.db2.gz YHJHGIRIHCGLNY-INIZCTEOSA-N 0 1 271.339 3.796 20 0 CHADMN Cc1cnc(N[C@H](c2ccnc(F)c2)C2CC2)c(C)c1 ZINC001161840804 1133034052 /nfs/dbraw/zinc/03/40/52/1133034052.db2.gz NATFTWFODYUILD-HNNXBMFYSA-N 0 1 271.339 3.796 20 0 CHADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)[C@H]1CCC[C@@H](C)C1 ZINC001161934263 1133040590 /nfs/dbraw/zinc/04/05/90/1133040590.db2.gz VXQOTHWBQWZTCE-AGIUHOORSA-N 0 1 285.391 3.508 20 0 CHADMN Cc1nccc(N[C@H](c2ccccc2)C2CC2)c1F ZINC001161961133 1133043428 /nfs/dbraw/zinc/04/34/28/1133043428.db2.gz DZXUFZRLPQIFSM-MRXNPFEDSA-N 0 1 256.324 3.514 20 0 CHADMN c1nc2c(nccc2N[C@@H](c2ccccc2)C2CC2)[nH]1 ZINC001161963114 1133044078 /nfs/dbraw/zinc/04/40/78/1133044078.db2.gz VCQUDYBSTSKDJF-AWEZNQCLSA-N 0 1 264.332 3.521 20 0 CHADMN CCOc1ccc([C@@H](C)Nc2cc(OC)ccn2)cc1 ZINC001161974812 1133046113 /nfs/dbraw/zinc/04/61/13/1133046113.db2.gz JVRZCBKELPKJTP-GFCCVEGCSA-N 0 1 272.348 3.662 20 0 CHADMN Cc1c2nc[nH]c2ccc1NCc1ccc2c(ccn2C)c1 ZINC001162168803 1133057424 /nfs/dbraw/zinc/05/74/24/1133057424.db2.gz DXSYJFKCTBDTMJ-UHFFFAOYSA-N 0 1 290.370 3.975 20 0 CHADMN Cc1ccc(NC(C)(C)Cc2cccnc2)nc1C ZINC001162239284 1133063260 /nfs/dbraw/zinc/06/32/60/1133063260.db2.gz PKNRISDUAWGOFP-UHFFFAOYSA-N 0 1 255.365 3.527 20 0 CHADMN C[C@@]1(O)CC[C@@H](Nc2ccc3c(c2)nc2cc[nH]cc3-2)CC1 ZINC001162360818 1133072073 /nfs/dbraw/zinc/07/20/73/1133072073.db2.gz RMVMQKYPXIAWMC-KSMLVUNXSA-N 0 1 295.386 3.822 20 0 CHADMN Cc1cccc2ccnc(N[C@H]3C[C@]34CCCOC4)c12 ZINC001162380413 1133073944 /nfs/dbraw/zinc/07/39/44/1133073944.db2.gz JADKZSODRPIQEF-YOEHRIQHSA-N 0 1 268.360 3.524 20 0 CHADMN Cc1c(NC(=O)C(C)(C)C)ccnc1NC(C)(C)C1CC1 ZINC001162517610 1133085506 /nfs/dbraw/zinc/08/55/06/1133085506.db2.gz YLUATQWQISMSMP-UHFFFAOYSA-N 0 1 289.423 3.975 20 0 CHADMN CC(C)(Nc1cnc2cccc(Br)n12)C1CC1 ZINC001162522350 1133086766 /nfs/dbraw/zinc/08/67/66/1133086766.db2.gz UQTHEPSMSPZLCZ-UHFFFAOYSA-N 0 1 294.196 3.697 20 0 CHADMN C[C@@H]1CCCC[C@H]1CNc1ccnc2c1ccn2C ZINC001162531039 1133089928 /nfs/dbraw/zinc/08/99/28/1133089928.db2.gz QXXUKPWHXMZPBN-OLZOCXBDSA-N 0 1 257.381 3.812 20 0 CHADMN C[C@H]1C[C@H](Nc2ccncc2C(F)(F)F)C[C@@H](C)C1 ZINC001162567820 1133091473 /nfs/dbraw/zinc/09/14/73/1133091473.db2.gz JFRSWXFRKMYNRT-URLYPYJESA-N 0 1 272.314 3.759 20 0 CHADMN FC(F)(F)c1cc(CNc2ccc3c(n2)CCC3)ccn1 ZINC001162735137 1133107177 /nfs/dbraw/zinc/10/71/77/1133107177.db2.gz JPBJNZQHNLOEAJ-UHFFFAOYSA-N 0 1 293.292 3.596 20 0 CHADMN CC(C)C(CNc1ccncc1C(F)(F)F)C(C)C ZINC001163092038 1133129760 /nfs/dbraw/zinc/12/97/60/1133129760.db2.gz MCTQXPJLBPPRFU-UHFFFAOYSA-N 0 1 274.330 3.862 20 0 CHADMN COc1cnccc1[C@@H](Nc1cc(C)c(C)cn1)C1CC1 ZINC001163400890 1133148043 /nfs/dbraw/zinc/14/80/43/1133148043.db2.gz KAOAINACJJCQBH-KRWDZBQOSA-N 0 1 283.375 3.665 20 0 CHADMN COc1ccccc1[C@@H]1CCN(c2cc(C)cc(C)n2)C1 ZINC001163807580 1133176370 /nfs/dbraw/zinc/17/63/70/1133176370.db2.gz YTIMUIJZYSJLEN-OAHLLOKOSA-N 0 1 282.387 3.701 20 0 CHADMN CC[C@@H](C)CCCCC(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC001163884334 1133182570 /nfs/dbraw/zinc/18/25/70/1133182570.db2.gz DVEDWGKRZNNUIV-OAGGEKHMSA-N 0 1 282.472 3.534 20 0 CHADMN CC1(Nc2ccc(C3C=NC(=S)N3)cc2)CCC1 ZINC001164032528 1133193708 /nfs/dbraw/zinc/19/37/08/1133193708.db2.gz KSFHOWWWZDGEOB-UHFFFAOYSA-N 0 1 259.378 3.720 20 0 CHADMN Cc1ccc(C)c(N[C@H](c2cccnc2)C(F)(F)F)n1 ZINC001164176981 1133203472 /nfs/dbraw/zinc/20/34/72/1133203472.db2.gz ZZOGSICWJVIONJ-GFCCVEGCSA-N 0 1 281.281 3.809 20 0 CHADMN CC[C@@H](C)[C@@H](Sc1nc2ccc(C)cc2[nH]1)C(=O)OC ZINC001164573023 1133223533 /nfs/dbraw/zinc/22/35/33/1133223533.db2.gz QYPIRBPMVKGTIK-ZWNOBZJWSA-N 0 1 292.404 3.551 20 0 CHADMN CN(CC1CCCCC1)c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001165153003 1133228542 /nfs/dbraw/zinc/22/85/42/1133228542.db2.gz FLUNSDIPWBSVHJ-UHFFFAOYSA-N 0 1 287.451 3.692 20 0 CHADMN Clc1cc2nc[nH]c2nc1N1CCC2(CCCC2)CC1 ZINC001165323003 1133239001 /nfs/dbraw/zinc/23/90/01/1133239001.db2.gz JDAWEYPJLSISPR-UHFFFAOYSA-N 0 1 290.798 3.772 20 0 CHADMN CCOc1ccnc(N(C)CCCc2ccccc2)c1 ZINC001166555426 1133270882 /nfs/dbraw/zinc/27/08/82/1133270882.db2.gz YYWVJFDTSNEZIO-UHFFFAOYSA-N 0 1 270.376 3.549 20 0 CHADMN CCOc1ccnc(N(C)Cc2cccc3cccnc32)c1 ZINC001166688522 1133282623 /nfs/dbraw/zinc/28/26/23/1133282623.db2.gz BUHUYAFNOZFGIU-UHFFFAOYSA-N 0 1 293.370 3.665 20 0 CHADMN CC(C)Oc1ccnc(N(C)CCc2ccc(F)cc2)c1 ZINC001166819712 1133288929 /nfs/dbraw/zinc/28/89/29/1133288929.db2.gz DSZOMWULHHKYRZ-UHFFFAOYSA-N 0 1 288.366 3.687 20 0 CHADMN Cc1cccc(CCN(C)c2cc(C)c(C)cn2)c1 ZINC001166824134 1133291457 /nfs/dbraw/zinc/29/14/57/1133291457.db2.gz DHRSMUCEMFCFMA-UHFFFAOYSA-N 0 1 254.377 3.686 20 0 CHADMN Cc1cc(C)nc(N2CCC(Sc3ccncc3)CC2)c1 ZINC001166984986 1133296538 /nfs/dbraw/zinc/29/65/38/1133296538.db2.gz KPMRNFKVXXRXRG-UHFFFAOYSA-N 0 1 299.443 3.855 20 0 CHADMN CCc1nc(C)c(CN2CCC[C@H]2c2ccccc2OC)[nH]1 ZINC001203243590 1133308092 /nfs/dbraw/zinc/30/80/92/1133308092.db2.gz MTHRDWBNUKOAMR-INIZCTEOSA-N 0 1 299.418 3.626 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1ccccc1F ZINC001203353839 1133316970 /nfs/dbraw/zinc/31/69/70/1133316970.db2.gz NVNQEJPPEJKZIX-UHFFFAOYSA-N 0 1 273.351 3.856 20 0 CHADMN CCN(CCn1ccnc1)Cc1ccc(Cl)cc1Cl ZINC001203397250 1133323195 /nfs/dbraw/zinc/32/31/95/1133323195.db2.gz PCVWDDQJVPIUCR-UHFFFAOYSA-N 0 1 298.217 3.712 20 0 CHADMN CCc1ccccc1CNCc1cc(O)ccc1Cl ZINC001203497757 1133333275 /nfs/dbraw/zinc/33/32/75/1133333275.db2.gz WMTDYKCPEOQJIL-UHFFFAOYSA-N 0 1 275.779 3.898 20 0 CHADMN COc1ccc(OC)c(CN2CCc3c(C)cccc3C2)c1 ZINC001203518921 1133335192 /nfs/dbraw/zinc/33/51/92/1133335192.db2.gz UIVQOCHFCRUAMO-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc(CO)c(F)c1 ZINC001203530501 1133337874 /nfs/dbraw/zinc/33/78/74/1133337874.db2.gz YKXJLQMUKRQLCL-UHFFFAOYSA-N 0 1 298.317 3.618 20 0 CHADMN CCc1ccc(CN(C)Cc2cc(OC)ccc2OC)cc1 ZINC001203528452 1133337908 /nfs/dbraw/zinc/33/79/08/1133337908.db2.gz CRDWEFOTFMVGIX-UHFFFAOYSA-N 0 1 299.414 3.898 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccc2c1CCO2 ZINC001203527986 1133337956 /nfs/dbraw/zinc/33/79/56/1133337956.db2.gz KFCQKRKWRXZJKB-UHFFFAOYSA-N 0 1 292.338 3.922 20 0 CHADMN CCOc1ccccc1CN(C)C[C@@H]1Cc2ccccc2O1 ZINC001203547875 1133339057 /nfs/dbraw/zinc/33/90/57/1133339057.db2.gz ZRTRNDNOMZBQNJ-KRWDZBQOSA-N 0 1 297.398 3.521 20 0 CHADMN CCN(Cc1ccccn1)Cc1ccc(OC)c(C)c1C ZINC001203724611 1133359049 /nfs/dbraw/zinc/35/90/49/1133359049.db2.gz JWCPUKCIYDJKQH-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN O=c1[nH]cc(CNCc2ccccc2Cl)c2ccccc12 ZINC001203721576 1133359292 /nfs/dbraw/zinc/35/92/92/1133359292.db2.gz OWWNRHWETRVBBK-UHFFFAOYSA-N 0 1 298.773 3.884 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1cc(F)cc2[nH]ccc21 ZINC001203726104 1133359866 /nfs/dbraw/zinc/35/98/66/1133359866.db2.gz SZZRMHNCNNBRFJ-UHFFFAOYSA-N 0 1 280.306 3.537 20 0 CHADMN CC(C)(C)c1nnc(Nc2cc(F)cc3[nH]ccc32)o1 ZINC001203725068 1133360238 /nfs/dbraw/zinc/36/02/38/1133360238.db2.gz DHJYDIBUPKNIRK-UHFFFAOYSA-N 0 1 274.299 3.731 20 0 CHADMN COc1cc(C)c(CN(C)Cc2ccccc2OC)cc1C ZINC001203753602 1133364847 /nfs/dbraw/zinc/36/48/47/1133364847.db2.gz DZQVTQLACVNAIF-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN COc1cc(CN2CCC(F)(F)C(C)(C)C2)cc(OC)c1 ZINC001203852115 1133375620 /nfs/dbraw/zinc/37/56/20/1133375620.db2.gz KHOOHHNPVUMGBZ-UHFFFAOYSA-N 0 1 299.361 3.571 20 0 CHADMN COc1cc(CN2CCc3cc(C)ccc3C2)cc(OC)c1 ZINC001203858587 1133376623 /nfs/dbraw/zinc/37/66/23/1133376623.db2.gz QJTUKYYHUHNFLL-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN FC(F)(F)c1cccc(CN2C[C@H]3[C@H](CC3(F)F)C2)c1 ZINC001203885863 1133379702 /nfs/dbraw/zinc/37/97/02/1133379702.db2.gz WGGMNKJWVFGHKM-PWSUYJOCSA-N 0 1 291.263 3.792 20 0 CHADMN COc1ccc(CN2Cc3cccc(C)c3C2)cc1C ZINC001203893903 1133382058 /nfs/dbraw/zinc/38/20/58/1133382058.db2.gz BFBOEJVNBZOVPT-UHFFFAOYSA-N 0 1 267.372 3.828 20 0 CHADMN Cc1ccnn1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001203922195 1133384422 /nfs/dbraw/zinc/38/44/22/1133384422.db2.gz NFJOYBGTEXBRKY-UHFFFAOYSA-N 0 1 289.810 3.682 20 0 CHADMN COC1(CNCc2c(F)cccc2F)CCCCCC1 ZINC001203968073 1133391983 /nfs/dbraw/zinc/39/19/83/1133391983.db2.gz KYTIBKGLWYWQDE-UHFFFAOYSA-N 0 1 283.362 3.794 20 0 CHADMN c1ccc2c(c1)cccc2CN1CC2(C1)CCCCO2 ZINC001203983819 1133393594 /nfs/dbraw/zinc/39/35/94/1133393594.db2.gz MZZOJDMSMIEFFW-UHFFFAOYSA-N 0 1 267.372 3.595 20 0 CHADMN c1ccc2cc(CN3CCc4cnccc4C3)ccc2c1 ZINC001203998028 1133396123 /nfs/dbraw/zinc/39/61/23/1133396123.db2.gz QKVUPKCSXMEYEC-UHFFFAOYSA-N 0 1 274.367 3.793 20 0 CHADMN COc1ccc(CN2CCOC[C@@H]2C(C)C)c2ccccc12 ZINC001203995965 1133396614 /nfs/dbraw/zinc/39/66/14/1133396614.db2.gz OPWMUHNJHPFMDO-GOSISDBHSA-N 0 1 299.414 3.705 20 0 CHADMN Cc1cc(F)ccc1N1CCN(Cc2cccs2)CC1 ZINC001204017818 1133398925 /nfs/dbraw/zinc/39/89/25/1133398925.db2.gz AUZAHWCLLVHLRP-UHFFFAOYSA-N 0 1 290.407 3.518 20 0 CHADMN c1csc(CN2CCSc3ccccc3C2)c1 ZINC001204018928 1133400045 /nfs/dbraw/zinc/40/00/45/1133400045.db2.gz UXTLVMZFAZPNFZ-UHFFFAOYSA-N 0 1 261.415 3.856 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2ccsc2)cn1 ZINC001204042893 1133402758 /nfs/dbraw/zinc/40/27/58/1133402758.db2.gz OJFCWQWUEGYEKI-OAHLLOKOSA-N 0 1 258.390 3.789 20 0 CHADMN CCN(Cc1ccc(O)c(OC)c1)Cc1ccccc1F ZINC001204118673 1133408991 /nfs/dbraw/zinc/40/89/91/1133408991.db2.gz XDUIUOYAUMENSH-UHFFFAOYSA-N 0 1 289.350 3.562 20 0 CHADMN c1ccc(-c2ccc(CN3CCOC4(CC4)C3)cc2)cc1 ZINC001204138033 1133409942 /nfs/dbraw/zinc/40/99/42/1133409942.db2.gz CJBPRRJVLGPIEP-UHFFFAOYSA-N 0 1 279.383 3.718 20 0 CHADMN CC(C)c1ccc(CN2CC3(C2)C[C@H](F)CS3)cc1 ZINC001204168131 1133413494 /nfs/dbraw/zinc/41/34/94/1133413494.db2.gz ILJJYQCFWZYZEE-HNNXBMFYSA-N 0 1 279.424 3.839 20 0 CHADMN CN(Cc1cn(C)nc1Cl)C1CCCCCCC1 ZINC001204171304 1133414298 /nfs/dbraw/zinc/41/42/98/1133414298.db2.gz QFXUTRNNZBYSRO-UHFFFAOYSA-N 0 1 269.820 3.618 20 0 CHADMN Fc1cccc(F)c1CN1CC[C@H]2CCCC[C@@H]2C1 ZINC001204207541 1133419736 /nfs/dbraw/zinc/41/97/36/1133419736.db2.gz OTWHHENTYKADNL-CHWSQXEVSA-N 0 1 265.347 3.977 20 0 CHADMN COc1ccccc1S[C@@H]1CCN(Cc2ccoc2)C1 ZINC001204244597 1133424493 /nfs/dbraw/zinc/42/44/93/1133424493.db2.gz MORMKARWMKPRJI-CQSZACIVSA-N 0 1 289.400 3.655 20 0 CHADMN CCN(Cc1ccccc1)Cc1c(OC)cccc1OC ZINC001204248677 1133424786 /nfs/dbraw/zinc/42/47/86/1133424786.db2.gz ZWISHPCYZUJVJW-UHFFFAOYSA-N 0 1 285.387 3.726 20 0 CHADMN CCCCCCOc1ccccc1CN(C)CCOC ZINC001204296532 1133431303 /nfs/dbraw/zinc/43/13/03/1133431303.db2.gz BIBJNYXLOUZMRR-UHFFFAOYSA-N 0 1 279.424 3.724 20 0 CHADMN Cn1cc(CN2CCC(=O)[C@H]3CCCC[C@@H]32)c2ccccc21 ZINC001204316170 1133435035 /nfs/dbraw/zinc/43/50/35/1133435035.db2.gz YNURFOXOPFSMHU-WMZOPIPTSA-N 0 1 296.414 3.512 20 0 CHADMN Cn1cc(CN2Cc3ccccc3C2)c2ccccc21 ZINC001204313218 1133435200 /nfs/dbraw/zinc/43/52/00/1133435200.db2.gz HVKMIGDFABEUGZ-UHFFFAOYSA-N 0 1 262.356 3.694 20 0 CHADMN Cn1cc(CN2CCC(=O)[C@H]3CCCC[C@H]32)c2ccccc21 ZINC001204316164 1133435298 /nfs/dbraw/zinc/43/52/98/1133435298.db2.gz YNURFOXOPFSMHU-FUHWJXTLSA-N 0 1 296.414 3.512 20 0 CHADMN CCc1ccc(CN2CCC[C@H]2c2ccc(C)nc2)o1 ZINC001204394343 1133442687 /nfs/dbraw/zinc/44/26/87/1133442687.db2.gz BNBFWMPTSLKLAM-KRWDZBQOSA-N 0 1 270.376 3.883 20 0 CHADMN Clc1ccc(CN2CCC(c3ncccn3)CC2)s1 ZINC001204443600 1133449047 /nfs/dbraw/zinc/44/90/47/1133449047.db2.gz AFBYCMKFVKBHEK-UHFFFAOYSA-N 0 1 293.823 3.571 20 0 CHADMN COCCN(Cc1cc(C(F)(F)F)ccc1F)C(C)C ZINC001204473819 1133450994 /nfs/dbraw/zinc/45/09/94/1133450994.db2.gz BFRYIKYRDYEXJX-UHFFFAOYSA-N 0 1 293.304 3.701 20 0 CHADMN CSCCN(C)Cc1c(F)cccc1C(F)(F)F ZINC001204464904 1133451278 /nfs/dbraw/zinc/45/12/78/1133451278.db2.gz TYPNPNLMOGKSAT-UHFFFAOYSA-N 0 1 281.318 3.639 20 0 CHADMN c1ccc2c(c1)CN(Cc1ccc3c(c1)CCO3)CCS2 ZINC001204494416 1133453835 /nfs/dbraw/zinc/45/38/35/1133453835.db2.gz JQLBCUPKZZMFMH-UHFFFAOYSA-N 0 1 297.423 3.729 20 0 CHADMN Cc1cc(C)cc(CN2CC[C@](C)(F)[C@@H](F)C2)c1 ZINC001204519839 1133456801 /nfs/dbraw/zinc/45/68/01/1133456801.db2.gz OOTHBWGAYWUMRJ-GJZGRUSLSA-N 0 1 253.336 3.575 20 0 CHADMN Fc1cc(CN2CC[C@H]3CCC[C@@H]3C2)cc(F)c1F ZINC001204525131 1133457459 /nfs/dbraw/zinc/45/74/59/1133457459.db2.gz QISQMACDXOJWSB-VXGBXAGGSA-N 0 1 269.310 3.726 20 0 CHADMN COc1ccc(CN(C)Cc2cc(C)c(C)o2)cc1OC ZINC001204534884 1133459163 /nfs/dbraw/zinc/45/91/63/1133459163.db2.gz NIJUSUXSUSVCFI-UHFFFAOYSA-N 0 1 289.375 3.546 20 0 CHADMN COc1cc(CN2CC[C@@H](C)C(F)(F)CC2)ccc1F ZINC001204556463 1133462855 /nfs/dbraw/zinc/46/28/55/1133462855.db2.gz GRTVCJNZJLUQLP-LLVKDONJSA-N 0 1 287.325 3.702 20 0 CHADMN Cc1nc[nH]c1CN(C)Cc1ccc2ccccc2c1 ZINC001204594910 1133465318 /nfs/dbraw/zinc/46/53/18/1133465318.db2.gz RNXODGUYKRNJEK-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN CC(C)c1ccc(Cl)c(-c2nc(F)nc3nc[nH]c32)c1 ZINC001204675186 1133474489 /nfs/dbraw/zinc/47/44/89/1133474489.db2.gz UHMUBXGSAILECQ-UHFFFAOYSA-N 0 1 290.729 3.887 20 0 CHADMN CC(C)[C@@H](C)[N@@H+](C)Cc1nnn(-c2ccccc2)c1C1CC1 ZINC001204729454 1133479930 /nfs/dbraw/zinc/47/99/30/1133479930.db2.gz MANUNBFMGYTESC-CQSZACIVSA-N 0 1 298.434 3.621 20 0 CHADMN CC(C)[C@@H](C)N(C)Cc1nnn(-c2ccccc2)c1C1CC1 ZINC001204729454 1133479932 /nfs/dbraw/zinc/47/99/32/1133479932.db2.gz MANUNBFMGYTESC-CQSZACIVSA-N 0 1 298.434 3.621 20 0 CHADMN CC(C)C1(CN2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC001204833459 1133490475 /nfs/dbraw/zinc/49/04/75/1133490475.db2.gz NHAKOOBMLBWXFN-INIZCTEOSA-N 0 1 277.383 3.635 20 0 CHADMN Fc1cc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)ccc1C(F)(F)F ZINC001204886701 1133496369 /nfs/dbraw/zinc/49/63/69/1133496369.db2.gz NDYLCYIONWJZJA-NHCYSSNCSA-N 0 1 291.263 3.777 20 0 CHADMN CCCn1cc(CN(CCC(C)C)CCC(C)C)nn1 ZINC001205052383 1133521514 /nfs/dbraw/zinc/52/15/14/1133521514.db2.gz FQORCRRPSNVYFO-UHFFFAOYSA-N 0 1 280.460 3.582 20 0 CHADMN CN(Cc1nc(CO)cs1)C1CCC(C(C)(C)C)CC1 ZINC001205070817 1133524500 /nfs/dbraw/zinc/52/45/00/1133524500.db2.gz ZJNRHAANTXGXCS-UHFFFAOYSA-N 0 1 296.480 3.672 20 0 CHADMN CC(C)CCO[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001205085664 1133526333 /nfs/dbraw/zinc/52/63/33/1133526333.db2.gz QHDXEXNRHCKNHV-INIZCTEOSA-N 0 1 279.399 3.853 20 0 CHADMN CC(C)CCO[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001205085664 1133526338 /nfs/dbraw/zinc/52/63/38/1133526338.db2.gz QHDXEXNRHCKNHV-INIZCTEOSA-N 0 1 279.399 3.853 20 0 CHADMN Cc1cc(CN(Cc2ccco2)C2CC2)ccc1F ZINC001205199130 1133545054 /nfs/dbraw/zinc/54/50/54/1133545054.db2.gz XHWGSTRWMAFDQK-UHFFFAOYSA-N 0 1 259.324 3.892 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2nc(-c3ccccc3)no2)C[C@@H]1C ZINC001205298529 1133556736 /nfs/dbraw/zinc/55/67/36/1133556736.db2.gz DXHFMPIHHUKMOW-VNHYZAJKSA-N 0 1 285.391 3.651 20 0 CHADMN Clc1ccsc1CN1CCC2(CCCO2)CC1 ZINC001205339985 1133564791 /nfs/dbraw/zinc/56/47/91/1133564791.db2.gz WDLZVAZBOXCBAU-UHFFFAOYSA-N 0 1 271.813 3.547 20 0 CHADMN CCSCCO[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001205350454 1133567748 /nfs/dbraw/zinc/56/77/48/1133567748.db2.gz UJMIGWCFXKPNOE-OAHLLOKOSA-N 0 1 299.867 3.684 20 0 CHADMN CCCn1cncc1CN1CCC(c2ccsc2)CC1 ZINC001205450262 1133578011 /nfs/dbraw/zinc/57/80/11/1133578011.db2.gz CNULUJDEUOMWFX-UHFFFAOYSA-N 0 1 289.448 3.734 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2C[C@@H]3CC[C@@H](C3)C2)no1 ZINC001205495443 1133582428 /nfs/dbraw/zinc/58/24/28/1133582428.db2.gz BISSAWCTLDYFLA-QDMKHBRRSA-N 0 1 297.402 3.713 20 0 CHADMN C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](OC2CCCC2)C1 ZINC001205566417 1133588673 /nfs/dbraw/zinc/58/86/73/1133588673.db2.gz CUONWBXNIHPIJR-HOCLYGCPSA-N 0 1 274.408 3.566 20 0 CHADMN FCc1ccc(-c2ccc(CCN3CCOCC3)cc2)cc1 ZINC001205655590 1133599749 /nfs/dbraw/zinc/59/97/49/1133599749.db2.gz YTRUNFLDIAJREE-UHFFFAOYSA-N 0 1 299.389 3.698 20 0 CHADMN Cc1nc2c[nH]cc(-c3ccc4cc(O)ccc4c3)c-2n1 ZINC001205777305 1133612330 /nfs/dbraw/zinc/61/23/30/1133612330.db2.gz COYCTOMOMDJETJ-UHFFFAOYSA-N 0 1 275.311 3.792 20 0 CHADMN Cc1nc2c(cncc2-c2ccc3cc(O)ccc3c2)[nH]1 ZINC001205777305 1133612333 /nfs/dbraw/zinc/61/23/33/1133612333.db2.gz COYCTOMOMDJETJ-UHFFFAOYSA-N 0 1 275.311 3.792 20 0 CHADMN Cc1cccc(OC2CCN(Cc3ncccc3C)CC2)c1 ZINC001205807446 1133616142 /nfs/dbraw/zinc/61/61/42/1133616142.db2.gz LAVLXHVKDSXFDH-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN CCc1cc(-c2cccc3[nH]nnc32)ccc1Cl ZINC001205808028 1133616950 /nfs/dbraw/zinc/61/69/50/1133616950.db2.gz NTQPXZURRUCQES-UHFFFAOYSA-N 0 1 257.724 3.841 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1cncc(Cl)c1Cl ZINC001205839053 1133621040 /nfs/dbraw/zinc/62/10/40/1133621040.db2.gz DPRUKDCJKDGSNP-MRVPVSSYSA-N 0 1 259.180 3.619 20 0 CHADMN Cc1cc(CN[C@H](C)c2nccc3ccccc32)ccn1 ZINC001205898368 1133628758 /nfs/dbraw/zinc/62/87/58/1133628758.db2.gz SACYZFFFUBFOBS-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN CSc1ccc(F)cc1-c1nccc2c1CCN2 ZINC001205956839 1133635387 /nfs/dbraw/zinc/63/53/87/1133635387.db2.gz PCGUNWGDFYLCHQ-UHFFFAOYSA-N 0 1 260.337 3.578 20 0 CHADMN C[C@H](NCc1ncn(-c2ccccc2)n1)[C@@H]1CCCC[C@H]1C ZINC001205990065 1133638995 /nfs/dbraw/zinc/63/89/95/1133638995.db2.gz ORLKANAIANPXPQ-HLLBOEOZSA-N 0 1 298.434 3.572 20 0 CHADMN Nc1ccc(CN2CCC[C@H]2c2ccc(F)cc2)cc1F ZINC001206049666 1133649707 /nfs/dbraw/zinc/64/97/07/1133649707.db2.gz QLUDZSABAQVSKI-KRWDZBQOSA-N 0 1 288.341 3.884 20 0 CHADMN CSc1ccc(-c2ccc(CN(C)C)cn2)c(C)c1 ZINC001206078634 1133654056 /nfs/dbraw/zinc/65/40/56/1133654056.db2.gz UHARYRSTGDGMON-UHFFFAOYSA-N 0 1 272.417 3.841 20 0 CHADMN CC1(C)CN(Cc2cccn2C2CC2)Cc2ccccc2O1 ZINC001206083985 1133654708 /nfs/dbraw/zinc/65/47/08/1133654708.db2.gz BOFBDLMUFKDTER-UHFFFAOYSA-N 0 1 296.414 3.996 20 0 CHADMN CCCOc1ccc(-c2ccc(CN(C)C)cn2)c(F)c1 ZINC001206131908 1133661922 /nfs/dbraw/zinc/66/19/22/1133661922.db2.gz PJZZXWQVUHEVMM-UHFFFAOYSA-N 0 1 288.366 3.738 20 0 CHADMN Cc1ccc(C=Cc2cc3[nH]nnc3cc2F)cc1 ZINC001206161310 1133666151 /nfs/dbraw/zinc/66/61/51/1133666151.db2.gz UDCJFMKLUOZNQL-VOTSOKGWSA-N 0 1 253.280 3.576 20 0 CHADMN CC(C)Oc1cc(-c2cccc3[nH]nnc32)ccc1F ZINC001206184407 1133668406 /nfs/dbraw/zinc/66/84/06/1133668406.db2.gz UWTIDJCWSPEDED-UHFFFAOYSA-N 0 1 271.295 3.551 20 0 CHADMN CCn1ccc(CN2CC3(CCCCC3)[C@H]2C(C)C)n1 ZINC001206214870 1133671342 /nfs/dbraw/zinc/67/13/42/1133671342.db2.gz FYMKMCXMPFENAH-MRXNPFEDSA-N 0 1 275.440 3.694 20 0 CHADMN CCC1(c2ccccc2)CN(Cc2cccc(F)c2N)C1 ZINC001206224099 1133672313 /nfs/dbraw/zinc/67/23/13/1133672313.db2.gz LQUOZXYCYLZYBL-UHFFFAOYSA-N 0 1 284.378 3.572 20 0 CHADMN CCOC[C@H]1CCCCN1Cc1cc(F)cc(OCC)c1 ZINC001206239369 1133674584 /nfs/dbraw/zinc/67/45/84/1133674584.db2.gz FMYCCUQUNALGSZ-MRXNPFEDSA-N 0 1 295.398 3.615 20 0 CHADMN COCc1cc(C)c(-c2cc(N(C)C)ccn2)c(C)c1 ZINC001206305045 1133686740 /nfs/dbraw/zinc/68/67/40/1133686740.db2.gz YUJVEEOFHAWIJM-UHFFFAOYSA-N 0 1 270.376 3.578 20 0 CHADMN COc1cc(Cl)c(CN2CC(C)(C)C[C@@H]2C)cc1OC ZINC001206308118 1133687602 /nfs/dbraw/zinc/68/76/02/1133687602.db2.gz NQSRCRVPEAXGDN-NSHDSACASA-N 0 1 297.826 3.978 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3occc3c2)C[C@H](CC)O1 ZINC001206349982 1133693759 /nfs/dbraw/zinc/69/37/59/1133693759.db2.gz FBOTZOXIQNCOGW-IYBDPMFKSA-N 0 1 273.376 3.822 20 0 CHADMN CCN(C)C(=O)c1cccc(-c2ccc3nc[nH]c3c2C)c1 ZINC001206500089 1133711366 /nfs/dbraw/zinc/71/13/66/1133711366.db2.gz ROSCCTJTWCYCPM-UHFFFAOYSA-N 0 1 293.370 3.630 20 0 CHADMN COc1cccnc1CN1CCC[C@H]1c1ccc(C)cc1 ZINC001206644072 1133730331 /nfs/dbraw/zinc/73/03/31/1133730331.db2.gz HPIPRJUGCPRNSH-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN CCO[C@@H]1C[C@H](Nc2nc(C)ccc2CC)C12CCC2 ZINC001206661113 1133730882 /nfs/dbraw/zinc/73/08/82/1133730882.db2.gz OPGIDOZIOQSNDE-LSDHHAIUSA-N 0 1 274.408 3.712 20 0 CHADMN CCC(F)(F)CN[C@H]1CCC[C@@H]1c1ccccc1 ZINC001206689075 1133732403 /nfs/dbraw/zinc/73/24/03/1133732403.db2.gz MFJJKJJKBOZEHM-KGLIPLIRSA-N 0 1 253.336 3.958 20 0 CHADMN COc1cc(C)ccc1CN1CC[C@H](F)C(F)(F)CC1 ZINC001206741244 1133738659 /nfs/dbraw/zinc/73/86/59/1133738659.db2.gz PTJXIIUHONFOPF-AWEZNQCLSA-N 0 1 287.325 3.573 20 0 CHADMN Oc1cc(F)cc(Nc2ccncc2Oc2ccccc2)c1 ZINC001206755013 1133742183 /nfs/dbraw/zinc/74/21/83/1133742183.db2.gz VBRKNOZFCNLFCG-UHFFFAOYSA-N 0 1 296.301 3.884 20 0 CHADMN Cc1ccc2nc(-c3cc(F)c(O)cc3F)ncc2c1 ZINC001206760620 1133743974 /nfs/dbraw/zinc/74/39/74/1133743974.db2.gz APYUXGOBNYNKQE-UHFFFAOYSA-N 0 1 272.254 3.589 20 0 CHADMN COc1ccc2ccc(-c3cc(F)c(O)cc3F)nc2c1 ZINC001206762461 1133745090 /nfs/dbraw/zinc/74/50/90/1133745090.db2.gz XSTFSMMFZMDMMX-UHFFFAOYSA-N 0 1 287.265 3.894 20 0 CHADMN Oc1cc(F)c(-c2ccnc(Cc3ccccc3)n2)cc1F ZINC001206775531 1133746804 /nfs/dbraw/zinc/74/68/04/1133746804.db2.gz BMPSSQSNPXBBMO-UHFFFAOYSA-N 0 1 298.292 3.718 20 0 CHADMN CCN(Cc1cc(-c2ccc(OC)cc2)on1)C(C)C ZINC001206823490 1133752131 /nfs/dbraw/zinc/75/21/31/1133752131.db2.gz MXSWNFZMXRMVJC-UHFFFAOYSA-N 0 1 274.364 3.581 20 0 CHADMN Fc1cccnc1CN1CCC2(CCc3ccccc32)CC1 ZINC001207029453 1133761589 /nfs/dbraw/zinc/76/15/89/1133761589.db2.gz QTJJFAJZRRGXEU-UHFFFAOYSA-N 0 1 296.389 3.701 20 0 CHADMN O=c1cccc(C[N@H+]2CCCC[C@H]2c2ccccc2)[nH]1 ZINC001207065144 1133764341 /nfs/dbraw/zinc/76/43/41/1133764341.db2.gz JBCWHFXESXDYKP-INIZCTEOSA-N 0 1 268.360 3.514 20 0 CHADMN C[N@H+](Cc1ccc2ccccc2c1)Cc1cccc(=O)[nH]1 ZINC001207070269 1133764423 /nfs/dbraw/zinc/76/44/23/1133764423.db2.gz MPGBPYPXNJOZFD-UHFFFAOYSA-N 0 1 278.355 3.572 20 0 CHADMN CN(Cc1ccc2ccccc2c1)Cc1cccc(=O)[nH]1 ZINC001207070269 1133764429 /nfs/dbraw/zinc/76/44/29/1133764429.db2.gz MPGBPYPXNJOZFD-UHFFFAOYSA-N 0 1 278.355 3.572 20 0 CHADMN CCCCN(C)Cc1c(F)cccc1OC(F)F ZINC001207107722 1133767289 /nfs/dbraw/zinc/76/72/89/1133767289.db2.gz AHTWVGIUHPRKAP-UHFFFAOYSA-N 0 1 261.287 3.659 20 0 CHADMN Cc1ncccc1CN1CCCC[C@H]1c1cccnc1 ZINC001207150611 1133771995 /nfs/dbraw/zinc/77/19/95/1133771995.db2.gz BHZMNFAQUCOPRT-KRWDZBQOSA-N 0 1 267.376 3.512 20 0 CHADMN COc1ccc(C2=CCN(Cc3cccnc3C)CC2)cc1 ZINC001207153574 1133772242 /nfs/dbraw/zinc/77/22/42/1133772242.db2.gz CBSLNKCRZUIOSX-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN Cc1cncc(CN2CCC[C@H](OCc3ccccc3)C2)c1 ZINC001207160726 1133774263 /nfs/dbraw/zinc/77/42/63/1133774263.db2.gz IVPKABZZVOIUSR-IBGZPJMESA-N 0 1 296.414 3.571 20 0 CHADMN CC(C)OC1CN(C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001207197419 1133778283 /nfs/dbraw/zinc/77/82/83/1133778283.db2.gz PTJKOCJCEGINCM-XJKSGUPXSA-N 0 1 279.811 3.553 20 0 CHADMN CC(C)(CN1C[C@H]2C[C@@H](C1)O2)Sc1ccc(Cl)cc1 ZINC001207297718 1133790610 /nfs/dbraw/zinc/79/06/10/1133790610.db2.gz XOILRYFYFGNFDG-BETUJISGSA-N 0 1 297.851 3.684 20 0 CHADMN C[C@@H]1c2cccn2CCN1CCc1cccc(Cl)c1 ZINC001207425459 1133801142 /nfs/dbraw/zinc/80/11/42/1133801142.db2.gz IDHUIMUGBMMWST-CYBMUJFWSA-N 0 1 274.795 3.761 20 0 CHADMN Fc1ccccc1CCCN1Cc2ccccc2C1 ZINC001207490676 1133808308 /nfs/dbraw/zinc/80/83/08/1133808308.db2.gz WSSFUECCMFVZIB-UHFFFAOYSA-N 0 1 255.336 3.774 20 0 CHADMN Fc1ccc(CCN2CCc3cc(F)c(F)cc3C2)cc1 ZINC001207519781 1133812758 /nfs/dbraw/zinc/81/27/58/1133812758.db2.gz YMIDXZKWOZJUCU-UHFFFAOYSA-N 0 1 291.316 3.705 20 0 CHADMN CC(C)c1ccc(CCN2CCC(=O)[C@H](C)CC2)cc1 ZINC001207518476 1133814578 /nfs/dbraw/zinc/81/45/78/1133814578.db2.gz DLLBGLJUPPJFFZ-OAHLLOKOSA-N 0 1 273.420 3.654 20 0 CHADMN CC(C)(C)C(=O)N1CCN(CCCC2CCCCC2)CC1 ZINC001207609287 1133830154 /nfs/dbraw/zinc/83/01/54/1133830154.db2.gz SETWVTYXENTHDP-UHFFFAOYSA-N 0 1 294.483 3.537 20 0 CHADMN CC(C)c1nc(CN(C)C[C@@H]2C[C@H]3C=C[C@@H]2C3)cs1 ZINC001207630783 1133834517 /nfs/dbraw/zinc/83/45/17/1133834517.db2.gz YFYSGXFAOSIDTD-MJBXVCDLSA-N 0 1 276.449 3.911 20 0 CHADMN COc1cncc(CN(C)Cc2c(C)cccc2C)c1C ZINC001207678755 1133837403 /nfs/dbraw/zinc/83/74/03/1133837403.db2.gz BEHRZXSKDIYKIO-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN Cc1cccnc1[C@@H](C)NCc1coc2ccccc12 ZINC001207783397 1133847238 /nfs/dbraw/zinc/84/72/38/1133847238.db2.gz FZPBLDCATCQNFA-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN Fc1cccc2c1CN(CC1(c3ccccc3)CC1)C2 ZINC001207838779 1133850384 /nfs/dbraw/zinc/85/03/84/1133850384.db2.gz RSBHUUPNJZLRGM-UHFFFAOYSA-N 0 1 267.347 3.873 20 0 CHADMN C[C@@H]1CCC[C@H](CN2CC(Oc3ccccc3)C2)C1 ZINC001207865331 1133854836 /nfs/dbraw/zinc/85/48/36/1133854836.db2.gz MOWSOWRFBZGBJL-CABCVRRESA-N 0 1 259.393 3.576 20 0 CHADMN C[C@@H](CCN1CC(Oc2ccccc2)C1)c1ccccc1 ZINC001207864965 1133855870 /nfs/dbraw/zinc/85/58/70/1133855870.db2.gz JEVSDSFNDBIHTF-INIZCTEOSA-N 0 1 281.399 3.943 20 0 CHADMN CC(C)c1ccc(C[C@H](C)CN2CCC(=O)[C@H](C)C2)cc1 ZINC001207931832 1133863284 /nfs/dbraw/zinc/86/32/84/1133863284.db2.gz KAULUCIVUFCCGI-JKSUJKDBSA-N 0 1 287.447 3.900 20 0 CHADMN CC(C)c1ccc(C[C@@H](C)CN2CC3(C2)CCCO3)cc1 ZINC001207933412 1133866982 /nfs/dbraw/zinc/86/69/82/1133866982.db2.gz ZIQGMXUTFKWNSM-MRXNPFEDSA-N 0 1 287.447 3.853 20 0 CHADMN Cc1ccc(CCCN2CCC(=O)[C@H](C)C23CCCC3)o1 ZINC001207950225 1133870434 /nfs/dbraw/zinc/87/04/34/1133870434.db2.gz PXIAREIHRLQYFB-HNNXBMFYSA-N 0 1 289.419 3.744 20 0 CHADMN Cc1ccc(CCCN(C)Cc2cccc(F)c2F)o1 ZINC001207951822 1133870792 /nfs/dbraw/zinc/87/07/92/1133870792.db2.gz ZUVHITHQJFZHNU-UHFFFAOYSA-N 0 1 279.330 3.931 20 0 CHADMN CN(CCCn1cccn1)Cc1cccc(Cl)c1Cl ZINC001208080901 1133875408 /nfs/dbraw/zinc/87/54/08/1133875408.db2.gz NGIUTJOZDYCHBV-UHFFFAOYSA-N 0 1 298.217 3.712 20 0 CHADMN Fc1cccc(F)c1CCN1CC[C@H](F)C(F)(F)CC1 ZINC001208115706 1133878240 /nfs/dbraw/zinc/87/82/40/1133878240.db2.gz KJMOXGYOWJUAEV-ZDUSSCGKSA-N 0 1 293.279 3.577 20 0 CHADMN CS[C@H](C)CCN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001208146529 1133886411 /nfs/dbraw/zinc/88/64/11/1133886411.db2.gz AVGVMMSEZZHJRE-SQWLQELKSA-N 0 1 279.449 3.590 20 0 CHADMN Cc1ccc([C@@H](C)CCN2CCC[C@H]2c2ncccn2)o1 ZINC001208159197 1133891299 /nfs/dbraw/zinc/89/12/99/1133891299.db2.gz AMFDDAIQIDHEDB-ZFWWWQNUSA-N 0 1 285.391 3.709 20 0 CHADMN CCSC[C@H](C)N[C@H](c1ccccc1)c1ccccn1 ZINC000166112539 1133914345 /nfs/dbraw/zinc/91/43/45/1133914345.db2.gz BUXVCPGSSWRKEY-WMLDXEAASA-N 0 1 286.444 3.902 20 0 CHADMN CCN(CCN1CC2(C1)CCCCC2)C(=O)OC(C)(C)C ZINC001208579271 1133917679 /nfs/dbraw/zinc/91/76/79/1133917679.db2.gz QNVQRXGMJHQRKG-UHFFFAOYSA-N 0 1 296.455 3.510 20 0 CHADMN CC(C)CCCN1CC2(C1)CCCN2C(=O)OC(C)(C)C ZINC001208735406 1133937881 /nfs/dbraw/zinc/93/78/81/1133937881.db2.gz ZOMAIVHRXAXZQX-UHFFFAOYSA-N 0 1 296.455 3.508 20 0 CHADMN Cc1cccc2c1CN(CCc1cccnc1OC(C)C)C2 ZINC001208791907 1133946512 /nfs/dbraw/zinc/94/65/12/1133946512.db2.gz VAJBIWAPSXVATP-UHFFFAOYSA-N 0 1 296.414 3.736 20 0 CHADMN CC(=O)[C@@H]1CCCN1CCCc1ccccc1C(F)(F)F ZINC001208835605 1133949611 /nfs/dbraw/zinc/94/96/11/1133949611.db2.gz UZDNJQQPUBKSRQ-HNNXBMFYSA-N 0 1 299.336 3.691 20 0 CHADMN CCOC(C)(C)CN(CC)Cc1cccc(F)c1F ZINC001209077099 1133972744 /nfs/dbraw/zinc/97/27/44/1133972744.db2.gz YDFDYRXPRXCULN-UHFFFAOYSA-N 0 1 271.351 3.602 20 0 CHADMN Fc1ccc(CCN2CC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC001209112808 1133977193 /nfs/dbraw/zinc/97/71/93/1133977193.db2.gz NWXVIMOZSGDBGW-SNVBAGLBSA-N 0 1 295.707 3.906 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(CCc1ccc(C(F)(F)F)cc1)C2 ZINC001209125980 1133979717 /nfs/dbraw/zinc/97/97/17/1133979717.db2.gz MYHAHMAXOHIHAU-GJZGRUSLSA-N 0 1 299.336 3.501 20 0 CHADMN C[C@@]1(F)CC[N@@H+](CCCCOCc2ccccc2)C[C@H]1F ZINC001209253451 1133995926 /nfs/dbraw/zinc/99/59/26/1133995926.db2.gz KNDNRIRNNNHWPZ-IAGOWNOFSA-N 0 1 297.389 3.755 20 0 CHADMN C[C@@]1(F)CCN(CCCCOCc2ccccc2)C[C@H]1F ZINC001209253451 1133995929 /nfs/dbraw/zinc/99/59/29/1133995929.db2.gz KNDNRIRNNNHWPZ-IAGOWNOFSA-N 0 1 297.389 3.755 20 0 CHADMN Fc1cc(F)c(CCN2CCC[C@@H](C(F)F)C2)cc1F ZINC001209254879 1133997447 /nfs/dbraw/zinc/99/74/47/1133997447.db2.gz MVMQGSJUBMVTBO-SNVBAGLBSA-N 0 1 293.279 3.624 20 0 CHADMN CCN(CCOc1ccccc1)Cc1ccccc1F ZINC001209299127 1134002890 /nfs/dbraw/zinc/00/28/90/1134002890.db2.gz XZOXJBKQRPFIMD-UHFFFAOYSA-N 0 1 273.351 3.727 20 0 CHADMN CCC[C@H](C(=O)c1ccccc1)N(C)C[C@@H]1C[C@@H]1C ZINC001209425895 1134014449 /nfs/dbraw/zinc/01/44/49/1134014449.db2.gz GQPFVERLTMRKGS-CWRNSKLLSA-N 0 1 259.393 3.626 20 0 CHADMN Cc1cc(CN(Cc2ccccc2)C[C@@H]2C[C@@H]2C)on1 ZINC001209430872 1134016122 /nfs/dbraw/zinc/01/61/22/1134016122.db2.gz NUQGBCBEKVTZBN-BBRMVZONSA-N 0 1 270.376 3.641 20 0 CHADMN C[C@@H]1C(=O)CCN(Cc2ccc3cc[nH]c3c2)C12CCCC2 ZINC001209517214 1134035294 /nfs/dbraw/zinc/03/52/94/1134035294.db2.gz BDMMWFNZYOBSSY-CQSZACIVSA-N 0 1 296.414 3.892 20 0 CHADMN Cn1nc2ccccc2c1CN1CC[C@H]1c1ccccc1 ZINC001209542660 1134035805 /nfs/dbraw/zinc/03/58/05/1134035805.db2.gz ZNZIYTXBGVPGTR-KRWDZBQOSA-N 0 1 277.371 3.520 20 0 CHADMN c1ncc(CN2CCC(Sc3ccccc3)CC2)s1 ZINC001209549683 1134037290 /nfs/dbraw/zinc/03/72/90/1134037290.db2.gz DUMYUYQCDXUKHV-UHFFFAOYSA-N 0 1 290.457 3.900 20 0 CHADMN Cc1[nH]c2ncccc2c1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001209591231 1134040143 /nfs/dbraw/zinc/04/01/43/1134040143.db2.gz QRAYGNCKRYYYDY-BBRMVZONSA-N 0 1 269.392 3.636 20 0 CHADMN FC1(F)CCCN(Cc2c[nH]c3ncc(Cl)cc23)CC1 ZINC001209593005 1134041585 /nfs/dbraw/zinc/04/15/85/1134041585.db2.gz UFIBIBNVKQEWMR-UHFFFAOYSA-N 0 1 299.752 3.838 20 0 CHADMN COc1c(Cl)ccc(C[N@@H+](C)CC(C)C)c1F ZINC001209699136 1134051048 /nfs/dbraw/zinc/05/10/48/1134051048.db2.gz ODOMFAPLRGCULB-UHFFFAOYSA-N 0 1 259.752 3.576 20 0 CHADMN Clc1ccc2[nH]c(C[N@H+]3CCC[C@]34CCOC4)cc2c1 ZINC001209721060 1134052696 /nfs/dbraw/zinc/05/26/96/1134052696.db2.gz BHOJXJZLIFKHOP-MRXNPFEDSA-N 0 1 290.794 3.576 20 0 CHADMN Cc1cccn2cc(CN3CCC(C(C)(C)C)CC3)nc12 ZINC001209735440 1134054837 /nfs/dbraw/zinc/05/48/37/1134054837.db2.gz IIFWGPVHSLKZGU-UHFFFAOYSA-N 0 1 285.435 3.901 20 0 CHADMN Cc1cnc(Cl)cc1Nc1ccc2nc[nH]c2c1 ZINC001209844454 1134078748 /nfs/dbraw/zinc/07/87/48/1134078748.db2.gz NQLDNHVIPNXYNK-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1cc2c(ncnc2Nc2ccc3nc[nH]c3c2)s1 ZINC001209841169 1134079229 /nfs/dbraw/zinc/07/92/29/1134079229.db2.gz FMALDHCVTSTNOV-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN CCCc1ccnc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209847290 1134081225 /nfs/dbraw/zinc/08/12/25/1134081225.db2.gz AZNUPQNZYARVPL-UHFFFAOYSA-N 0 1 252.321 3.654 20 0 CHADMN CC(=O)c1cccc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209847008 1134081246 /nfs/dbraw/zinc/08/12/46/1134081246.db2.gz LSNLRZTWWZGQEB-UHFFFAOYSA-N 0 1 251.289 3.509 20 0 CHADMN Fc1cc(F)c(F)c(Nc2ccc3nc[nH]c3c2)c1 ZINC001209847844 1134081637 /nfs/dbraw/zinc/08/16/37/1134081637.db2.gz WLCAPOYDWZIWHT-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN COc1ccc(F)c(Nc2ccc3nc[nH]c3c2)c1F ZINC001209847421 1134081675 /nfs/dbraw/zinc/08/16/75/1134081675.db2.gz ARMZRQSMNNDWGQ-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN Fc1ccccc1-n1nccc1Nc1ccc2nc[nH]c2c1 ZINC001209848407 1134084302 /nfs/dbraw/zinc/08/43/02/1134084302.db2.gz NETUXCMYMLCRLJ-UHFFFAOYSA-N 0 1 293.305 3.631 20 0 CHADMN CCCOc1ccc(Nc2cc(OC)ccn2)cc1 ZINC001209864300 1134089262 /nfs/dbraw/zinc/08/92/62/1134089262.db2.gz CSHSVEINJMFJPT-UHFFFAOYSA-N 0 1 258.321 3.623 20 0 CHADMN COc1cc(Cl)ccc1Nc1nnc(-c2ccco2)o1 ZINC001209904753 1134099226 /nfs/dbraw/zinc/09/92/26/1134099226.db2.gz DBZDESWTNQWAJI-UHFFFAOYSA-N 0 1 291.694 3.735 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(F)c(Cl)c1 ZINC001209965484 1134111153 /nfs/dbraw/zinc/11/11/53/1134111153.db2.gz CUCDOPHFLBQATD-UHFFFAOYSA-N 0 1 251.692 3.508 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(Br)ccc1F ZINC001209966944 1134111286 /nfs/dbraw/zinc/11/12/86/1134111286.db2.gz KOJDKCYAMGHQHV-UHFFFAOYSA-N 0 1 296.143 3.617 20 0 CHADMN COc1cc(Nc2cnc(N)cc2C)ccc1C(F)(F)F ZINC001209967257 1134111645 /nfs/dbraw/zinc/11/16/45/1134111645.db2.gz MLUPAYIHPBCNLQ-UHFFFAOYSA-N 0 1 297.280 3.743 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(C(F)(F)F)c(F)c1 ZINC001209970059 1134112290 /nfs/dbraw/zinc/11/22/90/1134112290.db2.gz SFRYBMDVZURYSA-UHFFFAOYSA-N 0 1 285.244 3.874 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(OCC2CC2)cc1 ZINC001209970223 1134112335 /nfs/dbraw/zinc/11/23/35/1134112335.db2.gz XXWVCQLMDNQXCD-UHFFFAOYSA-N 0 1 269.348 3.505 20 0 CHADMN Cc1cc(N)ncc1Nc1ccccc1OCC(F)(F)F ZINC001209969355 1134112388 /nfs/dbraw/zinc/11/23/88/1134112388.db2.gz LEQXUHZAQZYFJL-UHFFFAOYSA-N 0 1 297.280 3.657 20 0 CHADMN CCc1ccc(Cl)cc1Nc1cnc(N)cc1C ZINC001209970922 1134112605 /nfs/dbraw/zinc/11/26/05/1134112605.db2.gz JYXXNCMZUBQQBX-UHFFFAOYSA-N 0 1 261.756 3.932 20 0 CHADMN Cc1nc2cc(Nc3cnc(N)cc3C)c(C)cc2s1 ZINC001209969377 1134112802 /nfs/dbraw/zinc/11/28/02/1134112802.db2.gz MHDFNGMDTOZDHI-UHFFFAOYSA-N 0 1 284.388 3.942 20 0 CHADMN Cc1cc(N)ncc1Nc1c(Cl)ccc2cccnc21 ZINC001209969904 1134112821 /nfs/dbraw/zinc/11/28/21/1134112821.db2.gz UAFHWUQZENIVRE-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1ccccc1OCC1CC1 ZINC001209973357 1134113786 /nfs/dbraw/zinc/11/37/86/1134113786.db2.gz WTFQIBURINYYNR-UHFFFAOYSA-N 0 1 269.348 3.505 20 0 CHADMN Cc1cc[nH+]c(C)c1Nc1cc(C(=O)[O-])cc(F)c1C ZINC001210006573 1134121018 /nfs/dbraw/zinc/12/10/18/1134121018.db2.gz DPVXPZAVPAJWDW-UHFFFAOYSA-N 0 1 274.295 3.588 20 0 CHADMN COc1cc(NC2=CCC(F)(F)CC2)ncc1C ZINC001210032956 1134128350 /nfs/dbraw/zinc/12/83/50/1134128350.db2.gz YXBQBOIKZIKHFT-UHFFFAOYSA-N 0 1 254.280 3.514 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cccc2c(=O)[nH]ccc12 ZINC001210101157 1134145529 /nfs/dbraw/zinc/14/55/29/1134145529.db2.gz AGCKATNIUJSLTF-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(Cl)cn1 ZINC001210100497 1134145688 /nfs/dbraw/zinc/14/56/88/1134145688.db2.gz YODKVTAGIDDIBR-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(-c2ccco2)no1 ZINC001210101092 1134145933 /nfs/dbraw/zinc/14/59/33/1134145933.db2.gz BPJXKTFTUCBHPH-UHFFFAOYSA-N 0 1 280.287 3.863 20 0 CHADMN COc1ccccc1Nc1cc2cn[nH]c2cc1C ZINC001210101043 1134146030 /nfs/dbraw/zinc/14/60/30/1134146030.db2.gz BWDNLOAQPHPYDT-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(C(C)(C)C)no1 ZINC001210100133 1134146084 /nfs/dbraw/zinc/14/60/84/1134146084.db2.gz HAAFYOLJOZAGKN-UHFFFAOYSA-N 0 1 270.336 3.900 20 0 CHADMN COC(=O)c1ccc(Nc2cc3cn[nH]c3cc2C)cc1C ZINC001210102648 1134146654 /nfs/dbraw/zinc/14/66/54/1134146654.db2.gz RBWUIKXIKBNCAN-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1ccc(N)c(Nc2cc3cn[nH]c3cc2C)c1C ZINC001210101815 1134146769 /nfs/dbraw/zinc/14/67/69/1134146769.db2.gz GEPXNABBQYEGFB-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN Cc1cccc(Nc2cc3cn[nH]c3cc2C)c1O ZINC001210101898 1134147215 /nfs/dbraw/zinc/14/72/15/1134147215.db2.gz ILYNCDIZJMLDKJ-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1cccc(N)c1Nc1cc2cn[nH]c2cc1C ZINC001210105178 1134148434 /nfs/dbraw/zinc/14/84/34/1134148434.db2.gz OONVZANLTMNHTR-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN Cc1cc2[nH]ncc2cc1N1CCCc2cc(N)ccc21 ZINC001210105540 1134148727 /nfs/dbraw/zinc/14/87/27/1134148727.db2.gz FYNCGHGVJLPEMU-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccccc1[C@@H](C)O ZINC001210107308 1134149194 /nfs/dbraw/zinc/14/91/94/1134149194.db2.gz YLPWRPLBMSDJRL-LLVKDONJSA-N 0 1 267.332 3.668 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(F)c(N)cc1C ZINC001210106517 1134149352 /nfs/dbraw/zinc/14/93/52/1134149352.db2.gz RDPPYCDGCRKTFO-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN COc1ccc2ccccc2c1-n1c(N)nc2ccccc21 ZINC001210168416 1134159285 /nfs/dbraw/zinc/15/92/85/1134159285.db2.gz TWYPIVBKNXHEOW-UHFFFAOYSA-N 0 1 289.338 3.770 20 0 CHADMN Oc1c(Cl)cc(Nc2cc(F)ccn2)cc1Cl ZINC001210922974 1134327527 /nfs/dbraw/zinc/32/75/27/1134327527.db2.gz GLRKVKQHGQBHEL-UHFFFAOYSA-N 0 1 273.094 3.977 20 0 CHADMN Oc1c(Cl)cc(Nc2ccc(Cl)nn2)cc1Cl ZINC001210922962 1134328475 /nfs/dbraw/zinc/32/84/75/1134328475.db2.gz GCBSYANAOXXXCN-UHFFFAOYSA-N 0 1 290.537 3.886 20 0 CHADMN CN(C)c1cccnc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210926707 1134328953 /nfs/dbraw/zinc/32/89/53/1134328953.db2.gz GAKCKYFQYCTWRF-UHFFFAOYSA-N 0 1 298.173 3.904 20 0 CHADMN NC(=O)c1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC001210927870 1134330311 /nfs/dbraw/zinc/33/03/11/1134330311.db2.gz VCNJFCJIHSGHLR-UHFFFAOYSA-N 0 1 297.141 3.542 20 0 CHADMN C=C(Nc1cncc(CCC(=O)OCC)c1)c1ccccc1 ZINC001210982585 1134341410 /nfs/dbraw/zinc/34/14/10/1134341410.db2.gz CGYYYWLNUXSNCE-UHFFFAOYSA-N 0 1 296.370 3.660 20 0 CHADMN C=C(Nc1ccc(CO)cc1Cl)c1ccccc1 ZINC001210987389 1134343177 /nfs/dbraw/zinc/34/31/77/1134343177.db2.gz RZQOWELDUVHYSZ-UHFFFAOYSA-N 0 1 259.736 3.915 20 0 CHADMN CC(C)Oc1cc(Nc2cncn2C)cc(C(F)(F)F)c1 ZINC001211252110 1134399557 /nfs/dbraw/zinc/39/95/57/1134399557.db2.gz AGSQBYDIUYLVCR-UHFFFAOYSA-N 0 1 299.296 3.970 20 0 CHADMN Cc1cc(Cl)cc(Cl)c1Nc1cncn1C ZINC001211250644 1134399700 /nfs/dbraw/zinc/39/97/00/1134399700.db2.gz PTVNLWWBUWBHNN-UHFFFAOYSA-N 0 1 256.136 3.779 20 0 CHADMN Cn1cncc1Nc1cccc(-c2ccc(F)cc2)c1 ZINC001211250597 1134400359 /nfs/dbraw/zinc/40/03/59/1134400359.db2.gz NKWNZHPJMQGDFO-UHFFFAOYSA-N 0 1 267.307 3.970 20 0 CHADMN COc1cnccc1Nc1ccccc1SC(C)C ZINC001211263916 1134400371 /nfs/dbraw/zinc/40/03/71/1134400371.db2.gz NGWHEFAZANGBRX-UHFFFAOYSA-N 0 1 274.389 3.756 20 0 CHADMN Cn1cncc1-n1c(-c2ccc(N)cc2)cc2ccccc21 ZINC001211251372 1134400410 /nfs/dbraw/zinc/40/04/10/1134400410.db2.gz YRPGNCGCYGHUNT-UHFFFAOYSA-N 0 1 288.354 3.613 20 0 CHADMN COc1cnccc1Nc1cccc(OC2CCCC2)c1 ZINC001211260234 1134400600 /nfs/dbraw/zinc/40/06/00/1134400600.db2.gz JTGLXHIKALQZAR-UHFFFAOYSA-N 0 1 284.359 3.577 20 0 CHADMN COc1cc(F)c(-c2cc(F)c(O)cc2F)cc1F ZINC001211338774 1134410106 /nfs/dbraw/zinc/41/01/06/1134410106.db2.gz JKLPHPNTAIDFEW-UHFFFAOYSA-N 0 1 272.197 3.624 20 0 CHADMN COc1ccc2cccnc2c1-c1cc(F)c(O)cc1F ZINC001211338592 1134410541 /nfs/dbraw/zinc/41/05/41/1134410541.db2.gz GAMQIVYKOVFOSD-UHFFFAOYSA-N 0 1 287.265 3.894 20 0 CHADMN COc1cc(F)c(-c2cc(F)c(O)cc2F)c(F)c1 ZINC001211350518 1134411021 /nfs/dbraw/zinc/41/10/21/1134411021.db2.gz QZZSCFGKTXQIES-UHFFFAOYSA-N 0 1 272.197 3.624 20 0 CHADMN Cc1nc2cc(Nc3ccccc3-n3ccnc3)ccc2[nH]1 ZINC001213073905 1134421308 /nfs/dbraw/zinc/42/13/08/1134421308.db2.gz ZERJBDLKVNSNOW-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN COc1cc(C)ccc1Nc1ccc2[nH]c(C)nc2c1 ZINC001213074239 1134421880 /nfs/dbraw/zinc/42/18/80/1134421880.db2.gz KZWHZLHJXFDDIY-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1nc2cc(Nc3ccc(C)cc3O)ccc2[nH]1 ZINC001213073835 1134422099 /nfs/dbraw/zinc/42/20/99/1134422099.db2.gz XKRPRFIRLNOETN-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1nc2cc(Nc3cc(F)c(N)cc3C)ccc2[nH]1 ZINC001213076221 1134422626 /nfs/dbraw/zinc/42/26/26/1134422626.db2.gz LZABYRUGZYQADF-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN Cc1nc2cc(Nc3c(N)cc(F)cc3Cl)ccc2[nH]1 ZINC001213076431 1134423847 /nfs/dbraw/zinc/42/38/47/1134423847.db2.gz QZSQKNFROUXPIS-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN CC(C)(C)c1cc(Nc2nccnc2C2CC2)ccn1 ZINC001213160641 1134433210 /nfs/dbraw/zinc/43/32/10/1134433210.db2.gz CGCSNKSEGYGYAS-UHFFFAOYSA-N 0 1 268.364 3.790 20 0 CHADMN Cc1c(Nc2ccnc(CO)c2)cccc1C1CC1 ZINC001213470809 1134451827 /nfs/dbraw/zinc/45/18/27/1134451827.db2.gz KFXVUYBOPRRHBH-UHFFFAOYSA-N 0 1 254.333 3.503 20 0 CHADMN Cc1cc(C)nc(Nc2ccc(N3CCOCC3)cc2C)c1 ZINC001213554529 1134464088 /nfs/dbraw/zinc/46/40/88/1134464088.db2.gz SEFMRKUJNHXWNA-UHFFFAOYSA-N 0 1 297.402 3.587 20 0 CHADMN COCc1ccc(C)c(Nc2c(C)nc3ccc(F)cn32)c1 ZINC001213573815 1134464926 /nfs/dbraw/zinc/46/49/26/1134464926.db2.gz HYLBAZXAQYMSDZ-UHFFFAOYSA-N 0 1 299.349 3.980 20 0 CHADMN O=C([O-])CCc1ccc(Nc2cccc3cc[nH+]cc32)cc1 ZINC001213629880 1134471352 /nfs/dbraw/zinc/47/13/52/1134471352.db2.gz VTZQHHBEKNFAQA-UHFFFAOYSA-N 0 1 292.338 3.996 20 0 CHADMN Cc1cccc2ncc(Nc3ccc4cc[nH]c(=O)c4c3)n21 ZINC001213958955 1134501149 /nfs/dbraw/zinc/50/11/49/1134501149.db2.gz KMMVUIKBJTYDSB-UHFFFAOYSA-N 0 1 290.326 3.640 20 0 CHADMN CCOc1cc(Nc2ccnn2-c2ccncc2)ccc1C ZINC001214322979 1134528370 /nfs/dbraw/zinc/52/83/70/1134528370.db2.gz GQTLMOSWFGIGID-UHFFFAOYSA-N 0 1 294.358 3.718 20 0 CHADMN CSc1ccc(Nc2ccncc2)cc1C(F)(F)F ZINC001214468937 1134541420 /nfs/dbraw/zinc/54/14/20/1134541420.db2.gz PUALPXRCKAMHQA-UHFFFAOYSA-N 0 1 284.306 3.988 20 0 CHADMN Cc1cccc2ncc(Nc3cc(F)c(O)c(Cl)c3)n21 ZINC001214484200 1134543182 /nfs/dbraw/zinc/54/31/82/1134543182.db2.gz DLXWBWAMCXQZSN-UHFFFAOYSA-N 0 1 291.713 3.884 20 0 CHADMN C[NH+](C)Cc1cccc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214486598 1134543735 /nfs/dbraw/zinc/54/37/35/1134543735.db2.gz OTMKWQRSNFSVMR-UHFFFAOYSA-N 0 1 294.757 3.990 20 0 CHADMN Cc1cc(Nc2ccc(CO)cc2C)c2ccccc2n1 ZINC001214655224 1134561159 /nfs/dbraw/zinc/56/11/59/1134561159.db2.gz ARNUQRZZMZJVTF-UHFFFAOYSA-N 0 1 278.355 3.509 20 0 CHADMN CC(=O)c1cc(Nc2ccccc2CN(C)C)cs1 ZINC001214785187 1134572121 /nfs/dbraw/zinc/57/21/21/1134572121.db2.gz MAFYWMYBCXRLPY-UHFFFAOYSA-N 0 1 274.389 3.756 20 0 CHADMN Cc1cc(Nc2ccc(Cl)c(O)c2F)ccc1O ZINC001214799517 1134575306 /nfs/dbraw/zinc/57/53/06/1134575306.db2.gz WRUIHVAUTGZSSO-UHFFFAOYSA-N 0 1 267.687 3.942 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000401279699 1134608309 /nfs/dbraw/zinc/60/83/09/1134608309.db2.gz HJJDUTSLEYWEJK-BZUAXINKSA-N 0 1 281.440 3.780 20 0 CHADMN Cc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1Cl ZINC000401605633 1134617584 /nfs/dbraw/zinc/61/75/84/1134617584.db2.gz IFQPXFWSXWEEOJ-ZDUSSCGKSA-N 0 1 261.756 3.861 20 0 CHADMN CCc1nc2cc(N[C@H]3CCCc4[nH]ncc43)ccc2o1 ZINC000401625614 1134618145 /nfs/dbraw/zinc/61/81/45/1134618145.db2.gz ZXVIBGFVXRDRBU-LBPRGKRZSA-N 0 1 282.347 3.603 20 0 CHADMN FC(F)(F)Oc1cccc(N[C@H]2CCCc3[nH]ncc32)c1 ZINC000401679952 1134618307 /nfs/dbraw/zinc/61/83/07/1134618307.db2.gz DEGBMVKVNGQPIO-LBPRGKRZSA-N 0 1 297.280 3.798 20 0 CHADMN Fc1cc(N[C@@H]2CCCc3[nH]ncc32)ccc1OC(F)F ZINC000401740189 1134619440 /nfs/dbraw/zinc/61/94/40/1134619440.db2.gz SZQWZJFAOORRRV-LLVKDONJSA-N 0 1 297.280 3.640 20 0 CHADMN Fc1cc(Nc2cnc3ccccc3c2)cc2[nH]ncc21 ZINC001215552207 1134639538 /nfs/dbraw/zinc/63/95/38/1134639538.db2.gz JPPDXGHMIOZQER-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Cc1cc(C)c(Nc2cc3[nH]ncc3c(F)c2)c(C)c1N ZINC001215555377 1134640763 /nfs/dbraw/zinc/64/07/63/1134640763.db2.gz INHDIKBYNHOCAS-UHFFFAOYSA-N 0 1 284.338 3.953 20 0 CHADMN Cc1cc(Nc2cc3[nH]ncc3c(F)c2)c(C)cc1O ZINC001215554709 1134641003 /nfs/dbraw/zinc/64/10/03/1134641003.db2.gz FSSVRWLLSUPXPZ-UHFFFAOYSA-N 0 1 271.295 3.768 20 0 CHADMN Fc1cc(Nc2cccc3ccncc32)cc2[nH]ncc21 ZINC001215555149 1134641281 /nfs/dbraw/zinc/64/12/81/1134641281.db2.gz CZLWZTHOZXLMIS-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN Fc1cc(Nc2ccc3ncccc3c2)cc2[nH]ncc21 ZINC001215554862 1134641295 /nfs/dbraw/zinc/64/12/95/1134641295.db2.gz KTEKPLYPJHGZCK-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN O=C1CCCc2ccc(Nc3cc4[nH]ncc4c(F)c3)cc21 ZINC001215555700 1134641354 /nfs/dbraw/zinc/64/13/54/1134641354.db2.gz NJRHJTRKJNFQQG-UHFFFAOYSA-N 0 1 295.317 3.965 20 0 CHADMN Cc1noc2ccc(Nc3cc4[nH]ncc4c(F)c3)cc12 ZINC001215557194 1134642131 /nfs/dbraw/zinc/64/21/31/1134642131.db2.gz VDIMMDLCZPIXTG-UHFFFAOYSA-N 0 1 282.278 3.895 20 0 CHADMN Cc1c(O)ccc(Nc2cc3[nH]ncc3c(F)c2)c1C ZINC001215557203 1134642300 /nfs/dbraw/zinc/64/23/00/1134642300.db2.gz VQBAZILYHHBRQL-UHFFFAOYSA-N 0 1 271.295 3.768 20 0 CHADMN CCOc1ccc(Nc2cc3[nH]ncc3c(F)c2)cc1F ZINC001215558830 1134642387 /nfs/dbraw/zinc/64/23/87/1134642387.db2.gz ZOBQXTXWTDIGPF-UHFFFAOYSA-N 0 1 289.285 3.983 20 0 CHADMN COc1cc(Nc2cc(C)cc(C)n2)cc(C)c1F ZINC001215700246 1134661210 /nfs/dbraw/zinc/66/12/10/1134661210.db2.gz MZGKMRSJSCYGBJ-UHFFFAOYSA-N 0 1 260.312 3.898 20 0 CHADMN CCc1ncsc1Nc1ccc(C)c2[nH]ncc21 ZINC001215757064 1134674439 /nfs/dbraw/zinc/67/44/39/1134674439.db2.gz KGEMCSRVAYYQDK-UHFFFAOYSA-N 0 1 258.350 3.634 20 0 CHADMN Cc1ccc(Nc2cncc(OC(F)F)c2)c2cn[nH]c21 ZINC001215756600 1134674468 /nfs/dbraw/zinc/67/44/68/1134674468.db2.gz CMHFPDMJZBZCPI-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1ccc(Nc2ccnn2C2CCC2)c2cn[nH]c21 ZINC001215756506 1134674684 /nfs/dbraw/zinc/67/46/84/1134674684.db2.gz RUXOFEHGFVTWFV-UHFFFAOYSA-N 0 1 267.336 3.536 20 0 CHADMN Cc1ccc(Nc2c(C)ccnc2C)c2cn[nH]c21 ZINC001215755182 1134674853 /nfs/dbraw/zinc/67/48/53/1134674853.db2.gz JQSFOLLVCAJLRQ-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN COc1ccc(Nc2ccc(C)c3[nH]ncc32)c(Cl)n1 ZINC001215755313 1134674878 /nfs/dbraw/zinc/67/48/78/1134674878.db2.gz OTGSEBJSFNIWDA-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1cnc(Nc2ccc(C)c3[nH]ncc32)c(C)c1 ZINC001215755005 1134674896 /nfs/dbraw/zinc/67/48/96/1134674896.db2.gz DBWLBXUGVSHFIW-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN Cc1ccc(Nc2cc(Cl)c3nccn3c2)c2cn[nH]c21 ZINC001215756183 1134674931 /nfs/dbraw/zinc/67/49/31/1134674931.db2.gz MGUCZDFQXFNVKN-UHFFFAOYSA-N 0 1 297.749 3.916 20 0 CHADMN Cc1ccc(Nc2csc3nccnc23)c2cn[nH]c21 ZINC001215755724 1134675091 /nfs/dbraw/zinc/67/50/91/1134675091.db2.gz ZAYAUWFMTNQKLJ-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1ccc(N2c3ccc(N)cc3CC[C@H]2C)c2cn[nH]c21 ZINC001215757723 1134676190 /nfs/dbraw/zinc/67/61/90/1134676190.db2.gz YFLMSTUORJKPOM-GFCCVEGCSA-N 0 1 292.386 3.926 20 0 CHADMN Cc1ccc(Nc2ccc3c(cnn3C)c2)c2cn[nH]c21 ZINC001215757102 1134676401 /nfs/dbraw/zinc/67/64/01/1134676401.db2.gz MJSLJFXAVCAKAW-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Cc1ccc(Nc2ccc(O)c(C)c2)c2cn[nH]c21 ZINC001215757418 1134676667 /nfs/dbraw/zinc/67/66/67/1134676667.db2.gz SOGZPTISBABIFF-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN COc1cc(C)ccc1Nc1ccc(C)c2[nH]ncc21 ZINC001215758242 1134676695 /nfs/dbraw/zinc/67/66/95/1134676695.db2.gz LYGULEGXCLAPHD-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1ccc(N2CCCc3cccc(N)c32)c2cn[nH]c21 ZINC001215758711 1134677489 /nfs/dbraw/zinc/67/74/89/1134677489.db2.gz CXTGEGWIQVBWFE-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN Cc1ccc(Nc2cccc3cnoc32)c2cn[nH]c21 ZINC001215760564 1134678276 /nfs/dbraw/zinc/67/82/76/1134678276.db2.gz QKJWWLNLXXAVEJ-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1ccc(-c2noc(-c3c(O)cccc3F)n2)c(F)c1 ZINC001215773612 1134684048 /nfs/dbraw/zinc/68/40/48/1134684048.db2.gz NQLREGFWPCLHNS-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Cc1ccccc1-c1noc(-c2ccc(O)c(F)c2)n1 ZINC001215792241 1134687481 /nfs/dbraw/zinc/68/74/81/1134687481.db2.gz MLRNNNBNFLZWLI-UHFFFAOYSA-N 0 1 270.263 3.557 20 0 CHADMN Cc1cc(F)ccc1-c1noc(-c2ccc(O)c(F)c2)n1 ZINC001215792486 1134688043 /nfs/dbraw/zinc/68/80/43/1134688043.db2.gz SOGYISXWJMQVEA-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN CSc1cccc(F)c1-n1c(N)nc2ccc(C)cc21 ZINC001215822088 1134694231 /nfs/dbraw/zinc/69/42/31/1134694231.db2.gz OGNBPKHDXRKZQM-UHFFFAOYSA-N 0 1 287.363 3.777 20 0 CHADMN Cn1cc2cc(Nc3cc(Cl)cc4[nH]ncc43)ccc2n1 ZINC001215859105 1134704445 /nfs/dbraw/zinc/70/44/45/1134704445.db2.gz GQZOYMRCNLVDQW-UHFFFAOYSA-N 0 1 297.749 3.847 20 0 CHADMN COc1ccc(Nc2cc(Cl)cc3[nH]ncc32)cc1O ZINC001215859322 1134705879 /nfs/dbraw/zinc/70/58/79/1134705879.db2.gz KJZQPKGSHZVUCR-UHFFFAOYSA-N 0 1 289.722 3.674 20 0 CHADMN CC(C)(C)c1nnc(Nc2ccc(Cl)c3n[nH]cc32)o1 ZINC001215940945 1134726271 /nfs/dbraw/zinc/72/62/71/1134726271.db2.gz QUGWHNCJCBOJPF-UHFFFAOYSA-N 0 1 291.742 3.640 20 0 CHADMN Cn1cncc1Nc1ccc(F)c(-c2ccccc2)c1 ZINC001215994346 1134745212 /nfs/dbraw/zinc/74/52/12/1134745212.db2.gz BCCPKMOCISRRCU-UHFFFAOYSA-N 0 1 267.307 3.970 20 0 CHADMN COc1ccc(Nc2cc(=O)[nH]c(Cl)n2)cc1C(C)C ZINC001216000138 1134746512 /nfs/dbraw/zinc/74/65/12/1134746512.db2.gz CTZQBNBNYPQHQA-UHFFFAOYSA-N 0 1 293.754 3.711 20 0 CHADMN Cc1cc(Cl)ncc1Nc1cccc(CN(C)C)c1F ZINC001216228018 1134812792 /nfs/dbraw/zinc/81/27/92/1134812792.db2.gz WNFXHCIAKXPFDG-UHFFFAOYSA-N 0 1 293.773 3.988 20 0 CHADMN CN(C)Cc1cccc(Nc2cncc(C3CC3)c2)c1F ZINC001216228946 1134813314 /nfs/dbraw/zinc/81/33/14/1134813314.db2.gz WWFRDFFHMPVBKO-UHFFFAOYSA-N 0 1 285.366 3.903 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc3oncc3c2)c1F ZINC001216231405 1134814799 /nfs/dbraw/zinc/81/47/99/1134814799.db2.gz ITTFEMYBVCUVNU-UHFFFAOYSA-N 0 1 285.322 3.772 20 0 CHADMN Cc1cc(F)cc(Nc2cccc(CN(C)C)c2F)c1O ZINC001216232158 1134815052 /nfs/dbraw/zinc/81/50/52/1134815052.db2.gz WAVYDOBDMBNKMY-UHFFFAOYSA-N 0 1 292.329 3.784 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc3ncn(C)c3c2)c1F ZINC001216232184 1134815535 /nfs/dbraw/zinc/81/55/35/1134815535.db2.gz XNECIJDDOCSPFB-UHFFFAOYSA-N 0 1 298.365 3.518 20 0 CHADMN Cc1cc(O)cc(C)c1Nc1cccc(CN(C)C)c1F ZINC001216233204 1134816865 /nfs/dbraw/zinc/81/68/65/1134816865.db2.gz YTCUFVLHMVGINF-UHFFFAOYSA-N 0 1 288.366 3.953 20 0 CHADMN Cc1ccc(N)c(N(C)c2cccc(CN(C)C)c2F)c1 ZINC001216233194 1134817932 /nfs/dbraw/zinc/81/79/32/1134817932.db2.gz YKOCZLHFPDFTSS-UHFFFAOYSA-N 0 1 287.382 3.546 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc(F)c4ccoc43)c2c1 ZINC001216295044 1134838300 /nfs/dbraw/zinc/83/83/00/1134838300.db2.gz IHGKQUGZWOSOST-UHFFFAOYSA-N 0 1 281.290 3.801 20 0 CHADMN Clc1ccnc(Cl)c1Nc1noc2cccnc21 ZINC001216300365 1134841588 /nfs/dbraw/zinc/84/15/88/1134841588.db2.gz LTRDBYZVLUXRIC-UHFFFAOYSA-N 0 1 281.102 3.668 20 0 CHADMN Cc1ncn(C)c1Nc1cc(C)c(C)cc1OC(C)C ZINC001216379924 1134875104 /nfs/dbraw/zinc/87/51/04/1134875104.db2.gz LGRHHHDYNISSCD-UHFFFAOYSA-N 0 1 273.380 3.876 20 0 CHADMN Cc1cc(OCc2ccccc2)c(-n2cncc2N)cc1C ZINC001216378436 1134875247 /nfs/dbraw/zinc/87/52/47/1134875247.db2.gz BBJONGLZPLXHLI-UHFFFAOYSA-N 0 1 293.370 3.650 20 0 CHADMN Oc1cccc(Cl)c1-c1nc(-c2ccccc2F)no1 ZINC001216522663 1134914896 /nfs/dbraw/zinc/91/48/96/1134914896.db2.gz YJAUGLSNDDLRPG-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN Clc1ccc(Nc2cncn2Cc2ccccc2)cn1 ZINC001216549977 1134919135 /nfs/dbraw/zinc/91/91/35/1134919135.db2.gz CRRANYDVFLSYNH-UHFFFAOYSA-N 0 1 284.750 3.723 20 0 CHADMN c1ncn(Cc2ccccc2)c1Nc1cccc2c1OCC2 ZINC001216553708 1134920326 /nfs/dbraw/zinc/92/03/26/1134920326.db2.gz SQTVPECNJJCJMW-UHFFFAOYSA-N 0 1 291.354 3.610 20 0 CHADMN Cc1cccc(-c2noc(-c3ccc4[nH]cnc4c3)n2)c1C ZINC001217131785 1134963938 /nfs/dbraw/zinc/96/39/38/1134963938.db2.gz ZGQCJZXWKZSOBY-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Fc1ccc(F)c(-c2noc(-c3ccc4[nH]cnc4c3)n2)c1 ZINC001217131511 1134964546 /nfs/dbraw/zinc/96/45/46/1134964546.db2.gz POEFUUISYQNHJZ-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN Cc1cc(C)cc(-c2noc(-c3ccc4[nH]cnc4c3)n2)c1 ZINC001217131410 1134964664 /nfs/dbraw/zinc/96/46/64/1134964664.db2.gz LACRTZDBUADUKY-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Cc1cccc(-c2noc(-c3cnc4[nH]cccc3-4)n2)c1C ZINC001217145520 1134965338 /nfs/dbraw/zinc/96/53/38/1134965338.db2.gz IWWYLUAYNWKGQK-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Fc1cccc2c(-c3nc(-c4ccccc4F)no3)n[nH]c21 ZINC001217322458 1134971812 /nfs/dbraw/zinc/97/18/12/1134971812.db2.gz HMKXPGMVLDKGBO-UHFFFAOYSA-N 0 1 298.252 3.558 20 0 CHADMN CCc1cccc(-c2noc(-c3ccc4cncn4c3)n2)c1 ZINC001217345027 1134972713 /nfs/dbraw/zinc/97/27/13/1134972713.db2.gz LRKNHUADVCBNBH-UHFFFAOYSA-N 0 1 290.326 3.614 20 0 CHADMN CCc1ccc(-c2noc(-c3cnc4ccc[nH]c3-4)n2)cc1 ZINC001217398418 1134975713 /nfs/dbraw/zinc/97/57/13/1134975713.db2.gz ABMGGYWBXSFBQB-UHFFFAOYSA-N 0 1 290.326 3.842 20 0 CHADMN Cc1ccccc1-c1noc(-c2cnc3ccc[nH]c2-3)n1 ZINC001217399505 1134975931 /nfs/dbraw/zinc/97/59/31/1134975931.db2.gz USBHGZBBIUHDGK-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN Oc1c2ccoc2ccc1-c1nc(-c2ccccc2)no1 ZINC001217514237 1134981747 /nfs/dbraw/zinc/98/17/47/1134981747.db2.gz PRFGFRNFMMRUCB-UHFFFAOYSA-N 0 1 278.267 3.855 20 0 CHADMN Cc1ccc(-c2noc(-c3cc4ccc(C)nc4[nH]3)n2)cc1 ZINC001217618753 1134984907 /nfs/dbraw/zinc/98/49/07/1134984907.db2.gz QYKATPYMOIUFKY-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN CN[C@@H](c1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(C)C ZINC001217714465 1134990163 /nfs/dbraw/zinc/99/01/63/1134990163.db2.gz JARGBNBFFQOAPT-CQSZACIVSA-N 0 1 287.407 3.951 20 0 CHADMN CN[C@H](CC(C)C)c1nnc([C@H]2C[C@H]2c2ccc(C)cc2)o1 ZINC001217714890 1134990343 /nfs/dbraw/zinc/99/03/43/1134990343.db2.gz OMVVKWQXXJNOQG-HRCADAONSA-N 0 1 299.418 3.956 20 0 CHADMN Cc1noc([C@@H](NCCCCc2ccccc2)C(C)C)n1 ZINC000187451520 1135029800 /nfs/dbraw/zinc/02/98/00/1135029800.db2.gz PQDPYNMYHSMVGR-INIZCTEOSA-N 0 1 287.407 3.688 20 0 CHADMN CC(C)C[C@H](C[C@@H](C)CC(C)C)Oc1cnc(CN)nc1 ZINC001218291440 1135079122 /nfs/dbraw/zinc/07/91/22/1135079122.db2.gz NAIJPQDQDQPHMW-LSDHHAIUSA-N 0 1 293.455 3.801 20 0 CHADMN Cc1csc(NC(=O)[C@H](N)c2ccc3ccccc3c2)c1 ZINC001218622070 1135118530 /nfs/dbraw/zinc/11/85/30/1135118530.db2.gz VBIXRBNXCAFGIG-MRXNPFEDSA-N 0 1 296.395 3.848 20 0 CHADMN CCC[C@@H](CNCc1cc(Cl)sc1Cl)OC ZINC000312611751 1135134628 /nfs/dbraw/zinc/13/46/28/1135134628.db2.gz XKEPSOBTCIAPBE-VIFPVBQESA-N 0 1 282.236 3.960 20 0 CHADMN CC[C@H](C)C[C@H](C)NC(=O)[C@@H](N)c1ccc2ccccc2c1 ZINC001220240220 1135148435 /nfs/dbraw/zinc/14/84/35/1135148435.db2.gz HCLZDBMNDNXVEF-DEYYWGMASA-N 0 1 298.430 3.781 20 0 CHADMN CC(C)(C)CC(C)(C)NC(=O)c1n[nH]c2ccc(F)cc21 ZINC001220288782 1135149970 /nfs/dbraw/zinc/14/99/70/1135149970.db2.gz IOUHGTPBDLERSH-UHFFFAOYSA-N 0 1 291.370 3.647 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2nc3ccccc3[nH]2)cc1 ZINC000315218005 1135151671 /nfs/dbraw/zinc/15/16/71/1135151671.db2.gz OTQWZZBGBQLGJF-CYBMUJFWSA-N 0 1 295.386 3.812 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1cccc(O)c1Br ZINC000315312059 1135153606 /nfs/dbraw/zinc/15/36/06/1135153606.db2.gz ACJONYQEWRRUKD-GHMZBOCLSA-N 0 1 298.224 3.918 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnn(-c2ccccc2)c1)c1cccnc1 ZINC000316864843 1135169220 /nfs/dbraw/zinc/16/92/20/1135169220.db2.gz PKDHCGDREFQTOE-CABCVRRESA-N 0 1 292.386 3.679 20 0 CHADMN CCOc1ccc(-c2ccc(F)c(CN(C)C)c2)c(C)n1 ZINC001222121967 1135195946 /nfs/dbraw/zinc/19/59/46/1135195946.db2.gz MVMJFMRETQPTTG-UHFFFAOYSA-N 0 1 288.366 3.656 20 0 CHADMN Clc1cc(Cl)cc(-c2nccc3[nH]cnc32)c1 ZINC001222575846 1135252432 /nfs/dbraw/zinc/25/24/32/1135252432.db2.gz LLZTVPNPZXBHQS-UHFFFAOYSA-N 0 1 264.115 3.932 20 0 CHADMN Clc1cc(Cl)cc(-c2[nH]ccc3ncnc2-3)c1 ZINC001222575846 1135252436 /nfs/dbraw/zinc/25/24/36/1135252436.db2.gz LLZTVPNPZXBHQS-UHFFFAOYSA-N 0 1 264.115 3.932 20 0 CHADMN C[C@@H](OCc1cnc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC001222999752 1135293201 /nfs/dbraw/zinc/29/32/01/1135293201.db2.gz HCSLNRJCIBQVCP-SECBINFHSA-N 0 1 270.254 3.706 20 0 CHADMN C[C@H](OCc1cnc[nH]1)c1cccc2ccccc21 ZINC001222999695 1135293511 /nfs/dbraw/zinc/29/35/11/1135293511.db2.gz FZMWJLBYWOVNAE-LBPRGKRZSA-N 0 1 252.317 3.841 20 0 CHADMN CC(C)(C)Oc1ccc(COC2CN(C(C)(C)C)C2)cc1 ZINC001223880436 1135393688 /nfs/dbraw/zinc/39/36/88/1135393688.db2.gz FYYIPWQQTMKKOI-UHFFFAOYSA-N 0 1 291.435 3.863 20 0 CHADMN CCCCCO[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001224659890 1135466928 /nfs/dbraw/zinc/46/69/28/1135466928.db2.gz GLNRRANQOUFFCD-INIZCTEOSA-N 0 1 279.399 3.997 20 0 CHADMN CCCCCO[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001224659892 1135466994 /nfs/dbraw/zinc/46/69/94/1135466994.db2.gz GLNRRANQOUFFCD-MRXNPFEDSA-N 0 1 279.399 3.997 20 0 CHADMN CC(C)CCC[C@@H](C)CCO[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001224770616 1135480241 /nfs/dbraw/zinc/48/02/41/1135480241.db2.gz CCNWLFVJRFIXIJ-CYGHRXIMSA-N 0 1 295.467 3.660 20 0 CHADMN Cc1cc2c(ccc(O[C@@H]3CCC[N@H+](C(C)C)C3)c2F)[nH]1 ZINC001225640502 1135602080 /nfs/dbraw/zinc/60/20/80/1135602080.db2.gz LCAXNNDZFBHLAL-CYBMUJFWSA-N 0 1 290.382 3.867 20 0 CHADMN Cc1ccc([C@@H](C)Oc2cccc3[nH]nnc32)c(C)c1 ZINC001225990733 1135648520 /nfs/dbraw/zinc/64/85/20/1135648520.db2.gz IKIBAIMXWPSNQO-GFCCVEGCSA-N 0 1 267.332 3.715 20 0 CHADMN CC(C)[C@@H](Oc1cccc2[nH]nnc21)c1ccccc1 ZINC001225991088 1135649365 /nfs/dbraw/zinc/64/93/65/1135649365.db2.gz SSKKBLRHIMDKPU-MRXNPFEDSA-N 0 1 267.332 3.734 20 0 CHADMN C[C@H](Oc1cccc2[nH]nnc21)c1ccc(Cl)cc1 ZINC001225991139 1135649668 /nfs/dbraw/zinc/64/96/68/1135649668.db2.gz UXNQKKMUHVZQEP-VIFPVBQESA-N 0 1 273.723 3.751 20 0 CHADMN CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc([S-])c1)C2 ZINC001226016062 1135653381 /nfs/dbraw/zinc/65/33/81/1135653381.db2.gz POIUGKFQFZFNMD-NHAGDIPZSA-N 0 1 277.433 3.758 20 0 CHADMN Cc1cc(=O)[nH]c(O[C@@H](C)c2ccc3ccccc3c2)n1 ZINC001226154976 1135668817 /nfs/dbraw/zinc/66/88/17/1135668817.db2.gz BWBPXZMIGRSSQL-LBPRGKRZSA-N 0 1 280.327 3.784 20 0 CHADMN C[C@@H](Oc1nccc(=O)[nH]1)c1cc2ccccc2s1 ZINC001226324143 1135685112 /nfs/dbraw/zinc/68/51/12/1135685112.db2.gz IRNUNMSGULELAI-SECBINFHSA-N 0 1 272.329 3.537 20 0 CHADMN C[C@H](Oc1nccc(=O)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC001226324508 1135685150 /nfs/dbraw/zinc/68/51/50/1135685150.db2.gz PKHKBHJMLVJUBM-ZETCQYMHSA-N 0 1 285.130 3.629 20 0 CHADMN CO[C@@H](COc1cc(N)nc2ccccc21)c1ccccc1 ZINC001226418378 1135694639 /nfs/dbraw/zinc/69/46/39/1135694639.db2.gz MHTLAFSDRPEKOL-KRWDZBQOSA-N 0 1 294.354 3.584 20 0 CHADMN COc1ccc([C@H](C)Oc2cc(N)nc3ccccc32)cc1 ZINC001226421874 1135694757 /nfs/dbraw/zinc/69/47/57/1135694757.db2.gz GBQPNNGDRNFPSF-LBPRGKRZSA-N 0 1 294.354 3.966 20 0 CHADMN Cc1cnc(F)c([C@H](C)Oc2cc(N)nc3ccccc32)c1 ZINC001226423481 1135695851 /nfs/dbraw/zinc/69/58/51/1135695851.db2.gz XYJOXUJRNFJYKN-NSHDSACASA-N 0 1 297.333 3.800 20 0 CHADMN COc1ccccc1[C@H](C)Oc1nc2ccc(F)cc2[nH]1 ZINC001226700850 1135730169 /nfs/dbraw/zinc/73/01/69/1135730169.db2.gz GGUZGOKVYBSUMW-JTQLQIEISA-N 0 1 286.306 3.851 20 0 CHADMN CCCC(=O)[C@H](CCC)Oc1nc2ccc(F)cc2[nH]1 ZINC001226700615 1135730485 /nfs/dbraw/zinc/73/04/85/1135730485.db2.gz CAYLCOOMHMUQPC-AWEZNQCLSA-N 0 1 278.327 3.619 20 0 CHADMN C[C@H](Oc1nc2ccc(F)cc2[nH]1)c1cccs1 ZINC001226700873 1135730642 /nfs/dbraw/zinc/73/06/42/1135730642.db2.gz GVSKTXXTPLLAMP-QMMMGPOBSA-N 0 1 262.309 3.904 20 0 CHADMN C[C@@H](COc1nc2ccc(F)cc2[nH]1)Oc1ccccc1 ZINC001226704262 1135731291 /nfs/dbraw/zinc/73/12/91/1135731291.db2.gz IZPBVGCAZRSODM-NSHDSACASA-N 0 1 286.306 3.548 20 0 CHADMN C[C@@H](CCc1ccccc1)Oc1ccc2nc[nH]c2c1 ZINC001226928687 1135761976 /nfs/dbraw/zinc/76/19/76/1135761976.db2.gz PPEZIZCNZNSKGN-ZDUSSCGKSA-N 0 1 266.344 3.963 20 0 CHADMN CC1(C)C[C@@H](Oc2nc3ccc(Cl)cc3[nH]2)CCO1 ZINC001227261963 1135811304 /nfs/dbraw/zinc/81/13/04/1135811304.db2.gz ICMYXOXRFLDPNQ-JTQLQIEISA-N 0 1 280.755 3.553 20 0 CHADMN Cc1nnc(=S)[nH]c1O[C@@H](C)c1ccc2ccccc2c1 ZINC001227601565 1135848793 /nfs/dbraw/zinc/84/87/93/1135848793.db2.gz ZEIRXCDESQOXBJ-NSHDSACASA-N 0 1 297.383 3.762 20 0 CHADMN CSCCN(C)Cc1ccc(Cl)cc1Cl ZINC000096954180 185140424 /nfs/dbraw/zinc/14/04/24/185140424.db2.gz NQYYZPFAQHBREM-UHFFFAOYSA-N 0 1 264.221 3.788 20 0 CHADMN CC[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)C[C@@H](C)O1 ZINC000352721028 529396645 /nfs/dbraw/zinc/39/66/45/529396645.db2.gz YIFFGDKPUYJASQ-CRAIPNDOSA-N 0 1 296.414 3.748 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1Cc1nccn1C(F)F ZINC000353805923 529425903 /nfs/dbraw/zinc/42/59/03/529425903.db2.gz OSPJVNPJWNFPKN-VXGBXAGGSA-N 0 1 271.355 3.679 20 0 CHADMN CC[C@@]1(C)CCN(Cc2cc(-c3ccco3)on2)C1 ZINC000344240323 529528049 /nfs/dbraw/zinc/52/80/49/529528049.db2.gz CIPLDTQCWVCCSG-HNNXBMFYSA-N 0 1 260.337 3.557 20 0 CHADMN CC[C@@H](Nc1ccnc(C)c1Cl)c1c(C)noc1C ZINC000355098141 529570867 /nfs/dbraw/zinc/57/08/67/529570867.db2.gz SNGNJXVLLBRURC-LLVKDONJSA-N 0 1 279.771 3.633 20 0 CHADMN CC[C@H](NCc1ccc(F)cn1)c1cccc(C)c1 ZINC000353410906 529627530 /nfs/dbraw/zinc/62/75/30/529627530.db2.gz XPGKEEOCLLBOQY-INIZCTEOSA-N 0 1 258.340 3.770 20 0 CHADMN CCc1ccc(C2=CCN(Cc3cc(C)nn3C)CC2)cc1 ZINC000417981402 529618274 /nfs/dbraw/zinc/61/82/74/529618274.db2.gz LYEZWGFERFIWBU-UHFFFAOYSA-N 0 1 295.430 3.580 20 0 CHADMN CCc1cnc(CN(C)[C@H]2CCC(C)(C)C2)s1 ZINC000344635688 529645339 /nfs/dbraw/zinc/64/53/39/529645339.db2.gz SLTBEHRILTZUAK-NSHDSACASA-N 0 1 252.427 3.716 20 0 CHADMN CCc1ccc(CN2Cc3ccccc3C[C@H]2C)cn1 ZINC000347875776 529645471 /nfs/dbraw/zinc/64/54/71/529645471.db2.gz KAFIYDAIEOBGRF-CQSZACIVSA-N 0 1 266.388 3.591 20 0 CHADMN CC[C@H](C)CCC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000354564853 529647365 /nfs/dbraw/zinc/64/73/65/529647365.db2.gz SOLJXMHCETUVDX-JTQLQIEISA-N 0 1 259.353 3.636 20 0 CHADMN CCc1ccc(CNCc2ccc(C)cc2SC)cn1 ZINC000352746594 529653497 /nfs/dbraw/zinc/65/34/97/529653497.db2.gz CKDWNDDKTIKLAL-UHFFFAOYSA-N 0 1 286.444 3.964 20 0 CHADMN CCc1ccc(CN[C@@H]2CCOc3c(C)cccc32)cn1 ZINC000352702684 529656229 /nfs/dbraw/zinc/65/62/29/529656229.db2.gz AOKYFRJEEZLGKU-QGZVFWFLSA-N 0 1 282.387 3.566 20 0 CHADMN CC[C@H](NCc1ccnc(SC)c1)c1ccc(F)cn1 ZINC000352783847 529633811 /nfs/dbraw/zinc/63/38/11/529633811.db2.gz OHKIZGJEQOEIEP-ZDUSSCGKSA-N 0 1 291.395 3.579 20 0 CHADMN CC[C@H](NCc1cn2ccccc2n1)c1cccc(C)c1 ZINC000353451753 529634365 /nfs/dbraw/zinc/63/43/65/529634365.db2.gz XXPBMMNZSSJZQC-KRWDZBQOSA-N 0 1 279.387 3.884 20 0 CHADMN CC[C@H](NCc1nc2cccnc2s1)c1cccs1 ZINC000347648831 529637618 /nfs/dbraw/zinc/63/76/18/529637618.db2.gz MKAZSBIBSRFYFS-JTQLQIEISA-N 0 1 289.429 3.994 20 0 CHADMN CC[C@H](N[C@H](c1nccn1C)C1CC1)c1ccc(C)cc1 ZINC000353886843 529669540 /nfs/dbraw/zinc/66/95/40/529669540.db2.gz WGFFFKBTZUVNBH-IRXDYDNUSA-N 0 1 283.419 3.921 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccccc2OC)cn1 ZINC000352239954 529657659 /nfs/dbraw/zinc/65/76/59/529657659.db2.gz BDERFBITUFFVTN-CYBMUJFWSA-N 0 1 270.376 3.503 20 0 CHADMN CCc1ncc(CN[C@H]2CCOc3c(C)cccc32)s1 ZINC000353202546 529757441 /nfs/dbraw/zinc/75/74/41/529757441.db2.gz BWAIPAOHHLTZRT-AWEZNQCLSA-N 0 1 288.416 3.627 20 0 CHADMN CN(C[C@H]1CC=CCC1)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000344493628 529962600 /nfs/dbraw/zinc/96/26/00/529962600.db2.gz HZTKMNDVCJGDCN-AWEZNQCLSA-N 0 1 295.386 3.505 20 0 CHADMN CN(Cc1nc2ccccc2n1C)CC12CCC(CC1)C2 ZINC000347758141 530023350 /nfs/dbraw/zinc/02/33/50/530023350.db2.gz HOCVAGXURITTHK-UHFFFAOYSA-N 0 1 283.419 3.585 20 0 CHADMN Cc1cc([C@H](C)NCc2cncn2C(C)C)c(C)o1 ZINC000090208914 260239170 /nfs/dbraw/zinc/23/91/70/260239170.db2.gz CWDKUPYWKTWNNI-LBPRGKRZSA-N 0 1 261.369 3.525 20 0 CHADMN Clc1cccc(C2(NCc3ccncc3)CC2)c1 ZINC000077467776 260297465 /nfs/dbraw/zinc/29/74/65/260297465.db2.gz ATKKLAPEBJQBKD-UHFFFAOYSA-N 0 1 258.752 3.514 20 0 CHADMN Cc1ccc([C@H]2CCCC[N@@H+]2Cc2ncccc2[O-])cc1 ZINC000574239741 335003455 /nfs/dbraw/zinc/00/34/55/335003455.db2.gz HSRBOMUWCMPJNZ-QGZVFWFLSA-N 0 1 282.387 3.823 20 0 CHADMN Cc1ccc([C@H]2CCCC[N@H+]2Cc2ncccc2[O-])cc1 ZINC000574239741 335003456 /nfs/dbraw/zinc/00/34/56/335003456.db2.gz HSRBOMUWCMPJNZ-QGZVFWFLSA-N 0 1 282.387 3.823 20 0 CHADMN CCO[C@@H]1C[C@H]1N[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000574266868 335004938 /nfs/dbraw/zinc/00/49/38/335004938.db2.gz VLZJJLNNDYTGJD-GUDVDZBRSA-N 0 1 297.398 3.552 20 0 CHADMN Cc1nc(CN[C@H]2CC[C@@H](C)c3ccccc32)[nH]c1C ZINC000574292973 335008208 /nfs/dbraw/zinc/00/82/08/335008208.db2.gz VMOQASYOVQXDIB-BZNIZROVSA-N 0 1 269.392 3.755 20 0 CHADMN Cc1nc(CN[C@@H]2CC[C@H](C)c3ccccc32)[nH]c1C ZINC000574292974 335008256 /nfs/dbraw/zinc/00/82/56/335008256.db2.gz VMOQASYOVQXDIB-MEDUHNTESA-N 0 1 269.392 3.755 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1cnn(C(C)(C)C)c1 ZINC000157868436 261153931 /nfs/dbraw/zinc/15/39/31/261153931.db2.gz IYZGXODLDVONNQ-LBPRGKRZSA-N 0 1 277.437 3.893 20 0 CHADMN C[N@@H+](CCCC1CCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000574578132 335031241 /nfs/dbraw/zinc/03/12/41/335031241.db2.gz KWKKIGBOVPSOSR-QGZVFWFLSA-N 0 1 289.419 3.585 20 0 CHADMN COC1(C[C@H](C)Nc2ccc3c(c2)nc(C)n3C)CCC1 ZINC000574612989 335033796 /nfs/dbraw/zinc/03/37/96/335033796.db2.gz KAACYWDXMZGMNN-LBPRGKRZSA-N 0 1 287.407 3.641 20 0 CHADMN CSc1ccccc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000352616104 533033581 /nfs/dbraw/zinc/03/35/81/533033581.db2.gz JTNDESRPMGWLMA-UHFFFAOYSA-N 0 1 283.356 3.537 20 0 CHADMN COc1cnccc1[C@H](C)NCc1ccc(F)c(Cl)c1 ZINC000346972436 533150608 /nfs/dbraw/zinc/15/06/08/533150608.db2.gz HICPQKCMDOJKPG-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000574884585 335055171 /nfs/dbraw/zinc/05/51/71/335055171.db2.gz UCSVSQYSUMLDIY-HIFRSBDPSA-N 0 1 299.370 3.664 20 0 CHADMN CCc1ccc(CNCc2cccc(OC)c2OC)s1 ZINC000067693041 260011886 /nfs/dbraw/zinc/01/18/86/260011886.db2.gz XXYULKPUNBEDMM-UHFFFAOYSA-N 0 1 291.416 3.618 20 0 CHADMN CC[C@H](NCc1cccc(O)c1)c1ccccc1OC ZINC000035272692 260018495 /nfs/dbraw/zinc/01/84/95/260018495.db2.gz GKQRXZNPQJKINU-INIZCTEOSA-N 0 1 271.360 3.642 20 0 CHADMN COc1c(C)cc(CN(C)Cc2cnccc2C)cc1C ZINC000353656208 533396729 /nfs/dbraw/zinc/39/67/29/533396729.db2.gz CZOAUOIVCJUTND-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN COc1c(C)cc(CN(C)Cc2cccc(C)n2)cc1C ZINC000353752730 533397694 /nfs/dbraw/zinc/39/76/94/533397694.db2.gz UJKYCAJVJHJZRL-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN C[C@@H](NCc1cc2cc(F)ccc2o1)c1cccnc1 ZINC000344411380 533442399 /nfs/dbraw/zinc/44/23/99/533442399.db2.gz SVZLIPNZPDYUIQ-LLVKDONJSA-N 0 1 270.307 3.818 20 0 CHADMN COc1cccc(CN([C@H](C)c2ccccc2)C2CC2)n1 ZINC000352833294 533475069 /nfs/dbraw/zinc/47/50/69/533475069.db2.gz RAOJMNOZORQMLS-CQSZACIVSA-N 0 1 282.387 3.816 20 0 CHADMN C[C@@H](O)CCCN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000354926653 533588274 /nfs/dbraw/zinc/58/82/74/533588274.db2.gz UZQXJUSFOVSVPS-IUODEOHRSA-N 0 1 299.867 3.591 20 0 CHADMN COc1ccc(CN2CCC[C@H]2c2cc(C)no2)cc1C ZINC000352086632 533560413 /nfs/dbraw/zinc/56/04/13/533560413.db2.gz GBZDLYWSRXFMOT-HNNXBMFYSA-N 0 1 286.375 3.637 20 0 CHADMN Clc1cccc2c1CC[C@H]2NCc1cn2ccccc2n1 ZINC000171380159 335064036 /nfs/dbraw/zinc/06/40/36/335064036.db2.gz DQCUXKCMIXDVPX-MRXNPFEDSA-N 0 1 297.789 3.765 20 0 CHADMN COc1cc(CNC2(c3cccc(Cl)c3)CC2)ccn1 ZINC000341848981 130091888 /nfs/dbraw/zinc/09/18/88/130091888.db2.gz UZDBCULYUURRHZ-UHFFFAOYSA-N 0 1 288.778 3.523 20 0 CHADMN COCC[C@@H](NCCF)c1ccc(Cl)c(Cl)c1 ZINC000342042870 130216736 /nfs/dbraw/zinc/21/67/36/130216736.db2.gz ZDWGVUNUTYXBQQ-GFCCVEGCSA-N 0 1 280.170 3.630 20 0 CHADMN Fc1cccc(Cl)c1CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342056038 130226004 /nfs/dbraw/zinc/22/60/04/130226004.db2.gz GQGAZWIQYYTDOL-CABCVRRESA-N 0 1 283.774 3.623 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C2CCCCCC2)n1 ZINC000342028906 130245155 /nfs/dbraw/zinc/24/51/55/130245155.db2.gz RYOIZQHIWPSJLL-GFCCVEGCSA-N 0 1 251.374 3.553 20 0 CHADMN Cc1cc(-c2nc([C@@H](N)CC(C)C)no2)c2ccccc2n1 ZINC000342033194 130249657 /nfs/dbraw/zinc/24/96/57/130249657.db2.gz ZUFMOHRPXFEUNR-AWEZNQCLSA-N 0 1 296.374 3.639 20 0 CHADMN CCCN(Cc1nc([C@H](C)OCC(C)C)no1)CC(C)C ZINC000342113354 130270599 /nfs/dbraw/zinc/27/05/99/130270599.db2.gz PMOXWDSWDYAEOJ-AWEZNQCLSA-N 0 1 297.443 3.671 20 0 CHADMN Fc1ccccc1CNCc1ccc(Cl)s1 ZINC000020053137 170979959 /nfs/dbraw/zinc/97/99/59/170979959.db2.gz QNOCJSPWDSCXHF-UHFFFAOYSA-N 0 1 255.745 3.830 20 0 CHADMN Cc1nn(C)c(C)c1CN[C@@H](C)c1cccc(Cl)c1 ZINC000020124319 171006482 /nfs/dbraw/zinc/00/64/82/171006482.db2.gz AXSIFIBKEVMERJ-JTQLQIEISA-N 0 1 277.799 3.541 20 0 CHADMN Brc1ccc(CN[C@@H]2CCc3ccccc32)o1 ZINC000020129694 171017901 /nfs/dbraw/zinc/01/79/01/171017901.db2.gz NKPJKPKUGYJKBM-CYBMUJFWSA-N 0 1 292.176 3.819 20 0 CHADMN Cc1cccc(CN[C@H](C)c2nc3ccccc3n2C)c1 ZINC000020134277 171021792 /nfs/dbraw/zinc/02/17/92/171021792.db2.gz SJZRPUCZECHJMY-CQSZACIVSA-N 0 1 279.387 3.733 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(O)c1)c1cccc(F)c1 ZINC000020147939 171035531 /nfs/dbraw/zinc/03/55/31/171035531.db2.gz AIOASTIPDLDQCQ-NEPJUHHUSA-N 0 1 259.324 3.943 20 0 CHADMN CCOc1cc(CN[C@@H]2CCCc3occc32)ccc1O ZINC000020203940 171068338 /nfs/dbraw/zinc/06/83/38/171068338.db2.gz KDFLGPGKMGTIPP-CQSZACIVSA-N 0 1 287.359 3.551 20 0 CHADMN C[C@H](NCc1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000020305578 171142254 /nfs/dbraw/zinc/14/22/54/171142254.db2.gz LJVNJIZZWVGABI-JTQLQIEISA-N 0 1 265.278 3.955 20 0 CHADMN CCN[C@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000035554625 172260876 /nfs/dbraw/zinc/26/08/76/172260876.db2.gz YWKRHHJVERDIFT-QGZVFWFLSA-N 0 1 289.350 3.542 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(-c2ccccc2)cc1 ZINC000038024465 174006950 /nfs/dbraw/zinc/00/69/50/174006950.db2.gz NYNOEBPMANOBFS-UHFFFAOYSA-N 0 1 283.371 3.650 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1sc2ccccc2c1Cl ZINC000038024514 174007578 /nfs/dbraw/zinc/00/75/78/174007578.db2.gz DMDLRHUHSGGOMU-UHFFFAOYSA-N 0 1 297.807 3.851 20 0 CHADMN CC[C@H](NCc1ccnc(C)n1)c1ccc(Cl)cc1 ZINC000038037431 174037411 /nfs/dbraw/zinc/03/74/11/174037411.db2.gz CZCFZHLRHFOIMI-HNNXBMFYSA-N 0 1 275.783 3.679 20 0 CHADMN CCCn1c(CNCc2cccs2)nc2ccccc21 ZINC000038046671 174055049 /nfs/dbraw/zinc/05/50/49/174055049.db2.gz XFLLEUOJOWXRPJ-UHFFFAOYSA-N 0 1 285.416 3.798 20 0 CHADMN C[C@H]1CCCCN1Cc1cc(Br)cs1 ZINC000043686927 175094577 /nfs/dbraw/zinc/09/45/77/175094577.db2.gz HFBNHJYCHSMHRV-VIFPVBQESA-N 0 1 274.227 3.885 20 0 CHADMN CC1CCN(Cc2cc(Br)cs2)CC1 ZINC000043686921 175094580 /nfs/dbraw/zinc/09/45/80/175094580.db2.gz IXWUZAODWRJANA-UHFFFAOYSA-N 0 1 274.227 3.743 20 0 CHADMN Cc1ncsc1CNCc1cccc(C(F)(F)F)c1 ZINC000071212325 176084144 /nfs/dbraw/zinc/08/41/44/176084144.db2.gz IUYVXGBIGXXOPE-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN Cc1ccc(-c2nc(CN3CCC[C@@H]3C)co2)cc1 ZINC000072185202 176335829 /nfs/dbraw/zinc/33/58/29/176335829.db2.gz KQVVIVWETUOPCE-ZDUSSCGKSA-N 0 1 256.349 3.634 20 0 CHADMN CCCC[N@@H+](Cc1ccnn1C)[C@H](C)c1ccccc1 ZINC000179804597 260073515 /nfs/dbraw/zinc/07/35/15/260073515.db2.gz GSDHOJYIZQMVKI-OAHLLOKOSA-N 0 1 271.408 3.783 20 0 CHADMN CC(C)c1nc([C@H](C)NCC(C)(C)[C@@H](O)C(C)C)cs1 ZINC000186432486 260081812 /nfs/dbraw/zinc/08/18/12/260081812.db2.gz RCHWVLIQIRCOPY-JSGCOSHPSA-N 0 1 298.496 3.960 20 0 CHADMN Cc1ccc([C@H](NC[C@H](C)O)c2ccccc2Cl)cc1 ZINC000179952825 260081961 /nfs/dbraw/zinc/08/19/61/260081961.db2.gz LTHAOCLZHPSLTG-GUYCJALGSA-N 0 1 289.806 3.708 20 0 CHADMN Cn1ccnc1CN[C@@H](Cc1ccccc1)c1cccs1 ZINC000344337055 225033601 /nfs/dbraw/zinc/03/36/01/225033601.db2.gz CHRIMPARIMZERX-HNNXBMFYSA-N 0 1 297.427 3.555 20 0 CHADMN CS[C@H](CNCc1csc(C2CC2)n1)C(C)(C)C ZINC000344324715 225047020 /nfs/dbraw/zinc/04/70/20/225047020.db2.gz HEGKVTWQBGKMOG-GFCCVEGCSA-N 0 1 284.494 3.888 20 0 CHADMN C[C@H]1CCCC[C@H]1OCCN1CCCc2occc2C1 ZINC000344244360 225004330 /nfs/dbraw/zinc/00/43/30/225004330.db2.gz FQORXRTWXNOQII-GOEBONIOSA-N 0 1 277.408 3.623 20 0 CHADMN C[C@H](Nc1ccnc2cc(F)ccc21)c1ccccn1 ZINC000113246809 225147625 /nfs/dbraw/zinc/14/76/25/225147625.db2.gz QWEWSWPUXUWPPR-NSHDSACASA-N 0 1 267.307 3.942 20 0 CHADMN OCC[C@H](NCc1ccc(Cl)s1)c1ccccc1 ZINC000344439215 225075068 /nfs/dbraw/zinc/07/50/68/225075068.db2.gz LWXXPPZWUHVTNG-ZDUSSCGKSA-N 0 1 281.808 3.615 20 0 CHADMN Cc1cnn(-c2ccncc2NCc2cc(C)ccc2C)c1 ZINC000345016957 225231418 /nfs/dbraw/zinc/23/14/18/225231418.db2.gz TYNRLROPYXYPHQ-UHFFFAOYSA-N 0 1 292.386 3.805 20 0 CHADMN Cc1nnc(CN2C[C@H](c3ccccc3)C3(CCC3)C2)s1 ZINC000334637599 225185039 /nfs/dbraw/zinc/18/50/39/225185039.db2.gz IMDXLANWNBOJBX-OAHLLOKOSA-N 0 1 299.443 3.616 20 0 CHADMN C[S@](=O)c1ccc(CN2CC(C)(C)CC(C)(C)C2)cc1 ZINC000344876679 225189634 /nfs/dbraw/zinc/18/96/34/225189634.db2.gz CYTXXGZITIDGRZ-FQEVSTJZSA-N 0 1 293.476 3.682 20 0 CHADMN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@H](C(C)(C)C)C1 ZINC000334746573 225271719 /nfs/dbraw/zinc/27/17/19/225271719.db2.gz AVLCUUDMOONIOW-STQMWFEESA-N 0 1 299.418 3.764 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1Cc1cncc(F)c1 ZINC000347080685 226041192 /nfs/dbraw/zinc/04/11/92/226041192.db2.gz RQZAPHIPKWABMY-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@H](N[C@H]1CSC[C@@H]1C)c1ncc(-c2ccccc2)o1 ZINC000367002350 226204395 /nfs/dbraw/zinc/20/43/95/226204395.db2.gz JJYRILFHTXVBDJ-OBJOEFQTSA-N 0 1 288.416 3.744 20 0 CHADMN Fc1ccc(CN2CCC[C@H](c3ccncc3)C2)c(F)c1 ZINC000347734382 226233528 /nfs/dbraw/zinc/23/35/28/226233528.db2.gz PMDKFVGBCZGHBD-AWEZNQCLSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1ccoc1CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000347736615 226235213 /nfs/dbraw/zinc/23/52/13/226235213.db2.gz RLWYDXBNMKBRGZ-GFCCVEGCSA-N 0 1 277.314 3.856 20 0 CHADMN Cc1ncsc1CN(C)CCOc1ccccc1Cl ZINC000171751325 335077409 /nfs/dbraw/zinc/07/74/09/335077409.db2.gz PMBRQZMDZRBTOO-UHFFFAOYSA-N 0 1 296.823 3.616 20 0 CHADMN Cc1cc(C(=O)CN(C)C2CCCCC2)c(C)n1C1CC1 ZINC000354476059 227007911 /nfs/dbraw/zinc/00/79/11/227007911.db2.gz JRCVBGZKCCYKFX-UHFFFAOYSA-N 0 1 288.435 3.887 20 0 CHADMN Cc1occc1-c1noc(-c2cc(-c3cccs3)n[nH]2)n1 ZINC000350426796 227011842 /nfs/dbraw/zinc/01/18/42/227011842.db2.gz CHMORWMCFNZORZ-UHFFFAOYSA-N 0 1 298.327 3.757 20 0 CHADMN Fc1ccccc1OCCN1CCC=C(c2ccco2)C1 ZINC000352549283 227054096 /nfs/dbraw/zinc/05/40/96/227054096.db2.gz AGXSFXRCCGCJCV-UHFFFAOYSA-N 0 1 287.334 3.587 20 0 CHADMN C[C@H](c1nnc(-c2ccccc2F)s1)N1CCC[C@H]1C ZINC000336584585 227138552 /nfs/dbraw/zinc/13/85/52/227138552.db2.gz UDDOBBBZRSSRMF-GHMZBOCLSA-N 0 1 291.395 3.890 20 0 CHADMN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1Cc1ccncc1 ZINC000354824929 227142144 /nfs/dbraw/zinc/14/21/44/227142144.db2.gz BWSGBJIMYDNZCD-STQMWFEESA-N 0 1 270.351 3.729 20 0 CHADMN COC[C@H](NCc1ccc2occc2c1)c1ccccc1 ZINC000352726230 227191441 /nfs/dbraw/zinc/19/14/41/227191441.db2.gz SFHNCEPTSVGCHJ-KRWDZBQOSA-N 0 1 281.355 3.910 20 0 CHADMN COc1ncccc1CN([C@@H](C)c1ccccc1)C1CC1 ZINC000352821298 227258212 /nfs/dbraw/zinc/25/82/12/227258212.db2.gz ANZCHIXHMFJIQF-AWEZNQCLSA-N 0 1 282.387 3.816 20 0 CHADMN COc1ccnc(CN([C@@H](C)c2ccccc2)C2CC2)c1 ZINC000352834020 227309140 /nfs/dbraw/zinc/30/91/40/227309140.db2.gz UWNCJLITVVHZAZ-AWEZNQCLSA-N 0 1 282.387 3.816 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCC(F)(F)F)n2)o1 ZINC000352999103 227921366 /nfs/dbraw/zinc/92/13/66/227921366.db2.gz HWUHNYLFBQLCOH-PLNGDYQASA-N 0 1 289.282 3.531 20 0 CHADMN Clc1csc(CN2CCC(OC3CCC3)CC2)c1 ZINC000418086861 228021936 /nfs/dbraw/zinc/02/19/36/228021936.db2.gz ADLBWNMTXBRSPQ-UHFFFAOYSA-N 0 1 285.840 3.935 20 0 CHADMN Cc1cccc2ncc(CN3CCc4ccccc4[C@@H]3C)n21 ZINC000353404728 228097023 /nfs/dbraw/zinc/09/70/23/228097023.db2.gz NAZJLXXHOGIZGP-HNNXBMFYSA-N 0 1 291.398 3.762 20 0 CHADMN Cc1ccc(CN[C@H]2COCc3ccccc32)cc1C ZINC000418105679 228054393 /nfs/dbraw/zinc/05/43/93/228054393.db2.gz ZZTLPAFPCRCHHJ-SFHVURJKSA-N 0 1 267.372 3.665 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc3cc[nH]c3n2)cc1F ZINC000353633363 228136033 /nfs/dbraw/zinc/13/60/33/228136033.db2.gz WWSIRYPAEMEOIF-LLVKDONJSA-N 0 1 299.349 3.561 20 0 CHADMN CCOc1ccc(CN(C)Cc2cc(O)cc(F)c2)cc1 ZINC000351988436 228171402 /nfs/dbraw/zinc/17/14/02/228171402.db2.gz HHUPDTCLNCVMOE-UHFFFAOYSA-N 0 1 289.350 3.562 20 0 CHADMN CO[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000352091605 228181492 /nfs/dbraw/zinc/18/14/92/228181492.db2.gz GFKXVNRYPRTZSE-HZMBPMFUSA-N 0 1 288.218 3.993 20 0 CHADMN C[C@H]1CCCC[C@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000333542330 228203718 /nfs/dbraw/zinc/20/37/18/228203718.db2.gz IBCKMORWPHHWTK-SMDDNHRTSA-N 0 1 282.347 3.678 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCc3c(F)cccc32)nc1 ZINC000336213410 228215111 /nfs/dbraw/zinc/21/51/11/228215111.db2.gz RIDYCWLJWMKJCA-QGZVFWFLSA-N 0 1 270.351 3.696 20 0 CHADMN C[C@H]1CCC[C@H](c2noc(-c3cc4cccnc4[nH]3)n2)C1 ZINC000333890739 228219024 /nfs/dbraw/zinc/21/90/24/228219024.db2.gz XAANMSNUHNCIKD-QWRGUYRKSA-N 0 1 282.347 3.907 20 0 CHADMN CCOC1(C)CCN(Cc2cnc(C(C)(C)C)s2)CC1 ZINC000430094168 262745218 /nfs/dbraw/zinc/74/52/18/262745218.db2.gz KMAGLSRIOUYSBP-UHFFFAOYSA-N 0 1 296.480 3.832 20 0 CHADMN Cc1cc(CN2CCCO[C@@H](C)C2)c(OC(F)F)cc1C ZINC000179401078 260046477 /nfs/dbraw/zinc/04/64/77/260046477.db2.gz BIARNSZJFYTLBM-ZDUSSCGKSA-N 0 1 299.361 3.516 20 0 CHADMN Cc1nc([C@H](C)NCCCOC2CCCCC2)cs1 ZINC000036915454 260050859 /nfs/dbraw/zinc/05/08/59/260050859.db2.gz ZCWAYBMVZJWUJZ-LBPRGKRZSA-N 0 1 282.453 3.842 20 0 CHADMN c1cc2c(s1)CCN(Cc1c[nH]nc1-c1ccccc1)C2 ZINC000179887220 260079321 /nfs/dbraw/zinc/07/93/21/260079321.db2.gz LKCCZADRXRZSDD-UHFFFAOYSA-N 0 1 295.411 3.697 20 0 CHADMN Cc1ccc([C@H](NC[C@@H](C)O)c2ccccc2Cl)cc1 ZINC000179952795 260081861 /nfs/dbraw/zinc/08/18/61/260081861.db2.gz LTHAOCLZHPSLTG-DYVFJYSZSA-N 0 1 289.806 3.708 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1nccn1CC(C)C)[C@@H](C)C2 ZINC000180628683 260107750 /nfs/dbraw/zinc/10/77/50/260107750.db2.gz QAHORBNTLAVKBG-HNAYVOBHSA-N 0 1 297.446 3.871 20 0 CHADMN COc1cccc(CNCc2ccc3ccccc3n2)c1 ZINC000037488082 260110236 /nfs/dbraw/zinc/11/02/36/260110236.db2.gz CCTZWFDEXKUGST-UHFFFAOYSA-N 0 1 278.355 3.533 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccccc2F)cc1F ZINC000037496149 260112833 /nfs/dbraw/zinc/11/28/33/260112833.db2.gz LTNIVOQNRFZELC-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN CC(C)C[N@@H+](C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000517750894 260119712 /nfs/dbraw/zinc/11/97/12/260119712.db2.gz VARKXXXUIJYTGP-GFCCVEGCSA-N 0 1 290.190 3.707 20 0 CHADMN COC[C@H](NCc1cc(Cl)sc1Cl)C(C)C ZINC000309480772 260170551 /nfs/dbraw/zinc/17/05/51/260170551.db2.gz SZWHVELBTYWKAW-VIFPVBQESA-N 0 1 282.236 3.816 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nccn1C)c1ccc(C)cc1 ZINC000070444355 260157390 /nfs/dbraw/zinc/15/73/90/260157390.db2.gz TVVMKAJGJOQRLY-DZGCQCFKSA-N 0 1 257.381 3.530 20 0 CHADMN C[C@@H](N[C@@H](C)c1nccn1C)c1ccc2c(c1)CCCC2 ZINC000070444463 260157946 /nfs/dbraw/zinc/15/79/46/260157946.db2.gz WKFUNPATUUCOFH-KGLIPLIRSA-N 0 1 283.419 3.711 20 0 CHADMN Cc1[nH]ncc1C(=O)N(Cc1ccccc1)c1ccccc1 ZINC000074667319 260165533 /nfs/dbraw/zinc/16/55/33/260165533.db2.gz DHLWYRGGPIZGAI-UHFFFAOYSA-N 0 1 291.354 3.565 20 0 CHADMN CC(C)[C@@H](NCc1cn2ccccc2n1)c1ccccc1 ZINC000078533566 260168249 /nfs/dbraw/zinc/16/82/49/260168249.db2.gz ZLDAVYDXFXWSDJ-GOSISDBHSA-N 0 1 279.387 3.821 20 0 CHADMN Cc1csc(CN[C@@H](c2ccccc2)C2CC2)n1 ZINC000041075799 260182057 /nfs/dbraw/zinc/18/20/57/260182057.db2.gz NDGRKRLRZNADKM-HNNXBMFYSA-N 0 1 258.390 3.692 20 0 CHADMN Clc1cc(CN[C@@H]2CCO[C@@H]2C2CC2)c(Cl)s1 ZINC000312619177 260183980 /nfs/dbraw/zinc/18/39/80/260183980.db2.gz TZSKYYLMKRVHDX-MWLCHTKSSA-N 0 1 292.231 3.712 20 0 CHADMN C[C@]1(NCc2cc(Cl)sc2Cl)CCCOC1 ZINC000312622905 260184592 /nfs/dbraw/zinc/18/45/92/260184592.db2.gz LPUSOTCALRODSF-NSHDSACASA-N 0 1 280.220 3.714 20 0 CHADMN C[NH+](C)[C@H](CNCc1ccsc1Cl)c1ccccc1 ZINC000312622799 260184681 /nfs/dbraw/zinc/18/46/81/260184681.db2.gz KYWZHVPMQKFMBQ-CQSZACIVSA-N 0 1 294.851 3.794 20 0 CHADMN c1cc2c(ccnc2N2CCN([C@@H]3C=CCCC3)CC2)s1 ZINC000517429062 260185307 /nfs/dbraw/zinc/18/53/07/260185307.db2.gz MFFXQZMLEHNNRT-CQSZACIVSA-N 0 1 299.443 3.527 20 0 CHADMN Clc1cc(CNCCOCC2CC2)c(Cl)s1 ZINC000312636610 260186240 /nfs/dbraw/zinc/18/62/40/260186240.db2.gz ZTQANRJPPDGFAS-UHFFFAOYSA-N 0 1 280.220 3.571 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000086728969 260209158 /nfs/dbraw/zinc/20/91/58/260209158.db2.gz UHCQBRMKYFPRNJ-DYVFJYSZSA-N 0 1 283.371 3.697 20 0 CHADMN COc1cc(F)cc(CN[C@H](C)c2ccccc2OC)c1 ZINC000090972013 260264172 /nfs/dbraw/zinc/26/41/72/260264172.db2.gz JKZCWNKLFQLWJF-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN CSc1ccccc1-c1nc(C2(N)CCCCC2)no1 ZINC000092234085 260268817 /nfs/dbraw/zinc/26/88/17/260268817.db2.gz HERMDAJDCIGZKH-UHFFFAOYSA-N 0 1 289.404 3.577 20 0 CHADMN CCc1nn(C)cc1CN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000092374419 260269309 /nfs/dbraw/zinc/26/93/09/260269309.db2.gz QTXACCQZVHLDPE-JTQLQIEISA-N 0 1 295.789 3.626 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)Cc1n[nH]c2ccccc21 ZINC000517889716 260314602 /nfs/dbraw/zinc/31/46/02/260314602.db2.gz HDLPYRVZUSCTAB-UHFFFAOYSA-N 0 1 299.761 3.706 20 0 CHADMN COc1cc(CN2CCCc3occc3C2)ccc1C ZINC000518011920 260335124 /nfs/dbraw/zinc/33/51/24/260335124.db2.gz WWDXVVOBZMGDTK-UHFFFAOYSA-N 0 1 271.360 3.545 20 0 CHADMN CCN(Cc1ncccc1C)[C@@H](C)c1cccc(O)c1 ZINC000093178990 260512467 /nfs/dbraw/zinc/51/24/67/260512467.db2.gz NIMHAAYTGGNXQA-AWEZNQCLSA-N 0 1 270.376 3.679 20 0 CHADMN Fc1ccc(CNCc2cncs2)c(C(F)(F)F)c1 ZINC000133054623 260513995 /nfs/dbraw/zinc/51/39/95/260513995.db2.gz JOEZBYYYXRPOIL-UHFFFAOYSA-N 0 1 290.285 3.591 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000428464161 260747406 /nfs/dbraw/zinc/74/74/06/260747406.db2.gz TZHSMGALEONJLH-MRXNPFEDSA-N 0 1 298.434 3.748 20 0 CHADMN CC[C@H](N[C@H](C)c1cnn(C)c1C)c1ccccc1F ZINC000168755849 260909097 /nfs/dbraw/zinc/90/90/97/260909097.db2.gz DAYYZPALCKFVEG-BZNIZROVSA-N 0 1 275.371 3.670 20 0 CHADMN CCn1c2ccccc2nc1[C@H]1CCCN1CCCF ZINC000151688918 261054191 /nfs/dbraw/zinc/05/41/91/261054191.db2.gz RAMVITDFPRTLKS-OAHLLOKOSA-N 0 1 275.371 3.553 20 0 CHADMN Cc1cc(C)c2c(c1)[C@@H](NCc1ccco1)CCCO2 ZINC000152046445 261058923 /nfs/dbraw/zinc/05/89/23/261058923.db2.gz OUKABTFNGBZSEU-INIZCTEOSA-N 0 1 271.360 3.900 20 0 CHADMN CCc1nc(C)c([C@H](C)N[C@H](C)c2ccccn2)s1 ZINC000152318577 261063003 /nfs/dbraw/zinc/06/30/03/261063003.db2.gz IJYQDIJIISCPTM-MNOVXSKESA-N 0 1 275.421 3.821 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)cc1N(C)C)c1ccccn1 ZINC000152397229 261063713 /nfs/dbraw/zinc/06/37/13/261063713.db2.gz GNHCUJWDKNBQNN-STQMWFEESA-N 0 1 287.382 3.699 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@@H](C)c1ccccn1)CCC2 ZINC000152394513 261063781 /nfs/dbraw/zinc/06/37/81/261063781.db2.gz MLCZLRZDTCNACK-GWCFXTLKSA-N 0 1 273.405 3.575 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccco2)cc1F ZINC000152798582 261069775 /nfs/dbraw/zinc/06/97/75/261069775.db2.gz NOLIFHLKJZKBDL-LLVKDONJSA-N 0 1 263.312 3.668 20 0 CHADMN COc1ccc(CNC2(c3cccc(F)c3)CC2)cc1F ZINC000152851262 261070766 /nfs/dbraw/zinc/07/07/66/261070766.db2.gz PQFGTRFXMRHBDL-UHFFFAOYSA-N 0 1 289.325 3.752 20 0 CHADMN CC(C)=CC(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000154212022 261089059 /nfs/dbraw/zinc/08/90/59/261089059.db2.gz HCUQKJDXJGBUCY-CQSZACIVSA-N 0 1 297.402 3.544 20 0 CHADMN CC[C@@H](NCc1c(C)nn(C)c1C)c1ccc(F)cc1F ZINC000154561392 261093319 /nfs/dbraw/zinc/09/33/19/261093319.db2.gz CPPIELHRFULSGE-MRXNPFEDSA-N 0 1 293.361 3.556 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccc(F)c(Cl)c2)c(C)n1 ZINC000155166529 261098837 /nfs/dbraw/zinc/09/88/37/261098837.db2.gz GJMMBKWLGORWRI-SECBINFHSA-N 0 1 293.773 3.737 20 0 CHADMN CC[C@H](C)CN(C)Cc1ncc(C(C)(C)C)s1 ZINC000448335312 261116934 /nfs/dbraw/zinc/11/69/34/261116934.db2.gz QHCNIUSTVGHGIC-NSHDSACASA-N 0 1 254.443 3.919 20 0 CHADMN CC(C)(C)c1cnc(CN2CC[C@@H]3CCC[C@@H]32)s1 ZINC000448333496 261117271 /nfs/dbraw/zinc/11/72/71/261117271.db2.gz CDVBHAWEEZENOK-RYUDHWBXSA-N 0 1 264.438 3.815 20 0 CHADMN CCOc1ccc(-c2nc(CN(C)CC3CC3)co2)cc1 ZINC000156233485 261117473 /nfs/dbraw/zinc/11/74/73/261117473.db2.gz CPRIFYMOYWJXGY-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN CN(CCC1CCOCC1)Cc1ncc(C(C)(C)C)s1 ZINC000448333502 261117584 /nfs/dbraw/zinc/11/75/84/261117584.db2.gz CERJQNXJVBCUAF-UHFFFAOYSA-N 0 1 296.480 3.689 20 0 CHADMN Cc1nc(CN[C@@H](C)[C@H](C)c2ccccc2)oc1C ZINC000157135431 261140828 /nfs/dbraw/zinc/14/08/28/261140828.db2.gz ZCRZNEMDJCYCCD-RYUDHWBXSA-N 0 1 258.365 3.573 20 0 CHADMN Fc1cc(F)cc(CNCc2ccnn2C2CCCC2)c1 ZINC000449077859 261151700 /nfs/dbraw/zinc/15/17/00/261151700.db2.gz ZKAKSYHOWVDXEJ-UHFFFAOYSA-N 0 1 291.345 3.566 20 0 CHADMN CO[C@H](C)[C@H](C)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000361214931 261176614 /nfs/dbraw/zinc/17/66/14/261176614.db2.gz HGEILAKYEMCTMX-HBNTYKKESA-N 0 1 270.442 3.515 20 0 CHADMN Clc1ncc(CN2CCC3(CCCC3)C2)s1 ZINC000175457304 261227298 /nfs/dbraw/zinc/22/72/98/261227298.db2.gz AMQDBHMXMJEILH-UHFFFAOYSA-N 0 1 256.802 3.563 20 0 CHADMN CC(C)[C@@H](C)NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000162255005 261274377 /nfs/dbraw/zinc/27/43/77/261274377.db2.gz HIEPQCJXXIREIX-MRVPVSSYSA-N 0 1 296.321 3.667 20 0 CHADMN CCc1noc(C)c1CN[C@H](C)c1ccc(CC)cc1 ZINC000162386322 261279166 /nfs/dbraw/zinc/27/91/66/261279166.db2.gz XPBNJIZCWCORGI-GFCCVEGCSA-N 0 1 272.392 3.959 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@@H](C)c1cnc(C)nc1C ZINC000162374563 261279571 /nfs/dbraw/zinc/27/95/71/261279571.db2.gz FIEOYCJLJRNOCP-STQMWFEESA-N 0 1 299.418 3.822 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2n[nH]cc21)c1ccc(F)cc1F ZINC000367602998 261301750 /nfs/dbraw/zinc/30/17/50/261301750.db2.gz XNLPLGPDGQGHTD-LSDHHAIUSA-N 0 1 291.345 3.806 20 0 CHADMN CC1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000176938932 261318795 /nfs/dbraw/zinc/31/87/95/261318795.db2.gz FIXMJCIQGOQHDC-UHFFFAOYSA-N 0 1 288.174 3.571 20 0 CHADMN COc1cccc(CN[C@H](CC(C)C)c2ccccc2)n1 ZINC000177299252 261345203 /nfs/dbraw/zinc/34/52/03/261345203.db2.gz HUTTXRKVBQWPOP-QGZVFWFLSA-N 0 1 284.403 3.967 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CCN1CC(=O)Nc1ccccc1 ZINC000177544331 261359934 /nfs/dbraw/zinc/35/99/34/261359934.db2.gz AYWSLOIXYPSPDN-MAUKXSAKSA-N 0 1 294.398 3.503 20 0 CHADMN CC[C@H](C)CN(CC)Cc1csc([C@@H](C)OC)n1 ZINC000177851724 261371275 /nfs/dbraw/zinc/37/12/75/261371275.db2.gz LNJTVKCHOCXIFZ-NWDGAFQWSA-N 0 1 270.442 3.719 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2cncc(F)c2)cc1 ZINC000178169522 261379064 /nfs/dbraw/zinc/37/90/64/261379064.db2.gz QSOJCORLKPGRDB-LBPRGKRZSA-N 0 1 258.340 3.634 20 0 CHADMN CCc1noc(CC)c1CN[C@@H]1c2ccccc2C[C@@H]1C ZINC000166954760 261395528 /nfs/dbraw/zinc/39/55/28/261395528.db2.gz FBXNFISEAKRGRO-SGTLLEGYSA-N 0 1 284.403 3.823 20 0 CHADMN CCc1noc(CC)c1CN[C@H]1c2ccccc2C[C@@H]1C ZINC000166954857 261395748 /nfs/dbraw/zinc/39/57/48/261395748.db2.gz FBXNFISEAKRGRO-KPZWWZAWSA-N 0 1 284.403 3.823 20 0 CHADMN CCOCCC1(C(=O)Nc2cccc(Cl)c2O)CCC1 ZINC000178545551 261748750 /nfs/dbraw/zinc/74/87/50/261748750.db2.gz CKFOJJMLHWCNDM-UHFFFAOYSA-N 0 1 297.782 3.581 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2cccnc2)cc1Cl ZINC000180796603 261874172 /nfs/dbraw/zinc/87/41/72/261874172.db2.gz VUBJFESEEZYEON-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN C[C@H](c1cnccn1)N(C)Cc1csc2ccccc12 ZINC000184442809 262020765 /nfs/dbraw/zinc/02/07/65/262020765.db2.gz KOVZDYYPLYKMPS-GFCCVEGCSA-N 0 1 283.400 3.884 20 0 CHADMN CC(C)c1ccc(CN[C@H](CCO)c2ccco2)cc1 ZINC000184508206 262021370 /nfs/dbraw/zinc/02/13/70/262021370.db2.gz LGBYXZWHWYZCMO-MRXNPFEDSA-N 0 1 273.376 3.616 20 0 CHADMN OCC[C@H](NCc1cc2ccccc2s1)c1ccco1 ZINC000184501186 262021504 /nfs/dbraw/zinc/02/15/04/262021504.db2.gz YWEKJIXRRQHZAL-AWEZNQCLSA-N 0 1 287.384 3.708 20 0 CHADMN Cc1cn[nH]c1CNc1cc(Cl)cc(Cl)c1 ZINC000309913857 262051900 /nfs/dbraw/zinc/05/19/00/262051900.db2.gz OGIZACLZYFLGCC-UHFFFAOYSA-N 0 1 256.136 3.637 20 0 CHADMN CC[C@@H](c1ccccc1)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000186027600 262076046 /nfs/dbraw/zinc/07/60/46/262076046.db2.gz NBTFLIANZNPAMY-AWEZNQCLSA-N 0 1 299.336 3.981 20 0 CHADMN CCCC[C@@H](C)NCc1ncc(-c2ccccc2)cn1 ZINC000186052971 262077076 /nfs/dbraw/zinc/07/70/76/262077076.db2.gz WIMVAIHTJRTHMB-CQSZACIVSA-N 0 1 269.392 3.812 20 0 CHADMN C[C@@H](NCc1ncc(-c2ccccc2)cn1)C1CCCC1 ZINC000186060520 262077200 /nfs/dbraw/zinc/07/72/00/262077200.db2.gz TXMXEKVYXZHBBW-CQSZACIVSA-N 0 1 281.403 3.812 20 0 CHADMN C[C@H](NCc1ncc(-c2ccccc2)cn1)C(C)(C)C ZINC000186052643 262077543 /nfs/dbraw/zinc/07/75/43/262077543.db2.gz ZXYAGLZBVOLUIV-ZDUSSCGKSA-N 0 1 269.392 3.668 20 0 CHADMN CC(C)c1nc([C@H](C)NCCc2ccccn2)cs1 ZINC000186198927 262083590 /nfs/dbraw/zinc/08/35/90/262083590.db2.gz OMBLQFDOWSFYBY-LBPRGKRZSA-N 0 1 275.421 3.555 20 0 CHADMN CCSc1cccc(CN(C)Cc2ccncc2)c1 ZINC000186416365 262092004 /nfs/dbraw/zinc/09/20/04/262092004.db2.gz ZBEFNFJMKUDCRL-UHFFFAOYSA-N 0 1 272.417 3.826 20 0 CHADMN OCC[C@@H](N[C@@H]1CCCc2cc(F)ccc21)c1ccco1 ZINC000186516800 262096460 /nfs/dbraw/zinc/09/64/60/262096460.db2.gz KLHNZQFPWRNVMT-HZPDHXFCSA-N 0 1 289.350 3.509 20 0 CHADMN CC[C@@H](CN(CC)Cc1ncc(C)o1)c1ccccc1 ZINC000186624389 262102796 /nfs/dbraw/zinc/10/27/96/262102796.db2.gz IRDZYGCEFTVHIO-HNNXBMFYSA-N 0 1 272.392 3.999 20 0 CHADMN O=C(c1cc(C2CC2)[nH]n1)N1CCCC[C@@H]1c1ccccc1 ZINC000364029482 262106197 /nfs/dbraw/zinc/10/61/97/262106197.db2.gz MMFNEZPZEWTURB-QGZVFWFLSA-N 0 1 295.386 3.655 20 0 CHADMN C[C@H](NCc1ccc2c(c1)COC(C)(C)O2)c1ccccn1 ZINC000186999152 262120931 /nfs/dbraw/zinc/12/09/31/262120931.db2.gz CYQXRYIJJUHJJX-ZDUSSCGKSA-N 0 1 298.386 3.578 20 0 CHADMN C[C@H](NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000119121511 262152748 /nfs/dbraw/zinc/15/27/48/262152748.db2.gz HYRUQAMUCIBMTL-DOTOQJQBSA-N 0 1 284.403 3.595 20 0 CHADMN CC[C@@H](CNCc1c(Cl)cccc1Cl)OC ZINC000390217573 262157882 /nfs/dbraw/zinc/15/78/82/262157882.db2.gz XZQLTMDTIHSTCN-VIFPVBQESA-N 0 1 262.180 3.508 20 0 CHADMN C[C@@H]1CC[C@H](NCc2nc(C3CCCC3)no2)[C@H](C)C1 ZINC000119409864 262162061 /nfs/dbraw/zinc/16/20/61/262162061.db2.gz KWUYXIRVUYKNBC-BZPMIXESSA-N 0 1 277.412 3.642 20 0 CHADMN CN(CCOc1ccc2ccccc2c1)Cc1ccoc1 ZINC000497475009 262166382 /nfs/dbraw/zinc/16/63/82/262166382.db2.gz OXSLTGQOGGGGLZ-UHFFFAOYSA-N 0 1 281.355 3.944 20 0 CHADMN COc1cccc(CN(C)[C@@H](C)c2ccc(C)cc2C)n1 ZINC000497477193 262168066 /nfs/dbraw/zinc/16/80/66/262168066.db2.gz LCVRBCJRDWPNLS-HNNXBMFYSA-N 0 1 284.403 3.900 20 0 CHADMN CN(CCCNCc1c(F)cccc1F)c1ccccc1 ZINC000019906501 262204596 /nfs/dbraw/zinc/20/45/96/262204596.db2.gz GOILVWQSQNXYNT-UHFFFAOYSA-N 0 1 290.357 3.581 20 0 CHADMN CC[C@@H](O)CN(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000525783429 262232170 /nfs/dbraw/zinc/23/21/70/262232170.db2.gz XZTKHYCXUUGGIU-MWLCHTKSSA-N 0 1 276.207 3.757 20 0 CHADMN COC[C@@H](NCc1cscc1C)c1ccc(F)c(F)c1 ZINC000494485549 262272789 /nfs/dbraw/zinc/27/27/89/262272789.db2.gz SGADFJSBWCBSDY-OAHLLOKOSA-N 0 1 297.370 3.812 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCC[C@H]1c1ccccc1 ZINC000184919709 262300296 /nfs/dbraw/zinc/30/02/96/262300296.db2.gz HXIPVQIFHFAKFU-AWEZNQCLSA-N 0 1 285.318 3.509 20 0 CHADMN CC(C)[C@H]1CN(Cc2cc3ccc(F)cc3[nH]2)CCS1 ZINC000488316285 262309776 /nfs/dbraw/zinc/30/97/76/262309776.db2.gz GFBXMHVUFLJFRK-MRXNPFEDSA-N 0 1 292.423 3.880 20 0 CHADMN CC(C)C1(C)CCN(Cc2nnc(-c3ccccc3)o2)CC1 ZINC000186196872 262311251 /nfs/dbraw/zinc/31/12/51/262311251.db2.gz MNCNOMPEKAXNGC-UHFFFAOYSA-N 0 1 299.418 3.995 20 0 CHADMN FC(F)COCCN1CCC[C@@H]1c1cccc(Cl)c1 ZINC000188796446 262319766 /nfs/dbraw/zinc/31/97/66/262319766.db2.gz VUFHMCUMKNTLEZ-CYBMUJFWSA-N 0 1 289.753 3.759 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)N(C)CC1(CO)CC1 ZINC000186815687 262325423 /nfs/dbraw/zinc/32/54/23/262325423.db2.gz LABAXEHDVOAQBP-SNVBAGLBSA-N 0 1 288.218 3.759 20 0 CHADMN COCCCN(C)Cc1nc2ccccc2c(C)c1Cl ZINC000521431190 262332746 /nfs/dbraw/zinc/33/27/46/262332746.db2.gz ZWKALRBOUCKBHS-UHFFFAOYSA-N 0 1 292.810 3.665 20 0 CHADMN Cc1oc2ccccc2c1CN[C@@H](C)c1ccccn1 ZINC000121236802 262336266 /nfs/dbraw/zinc/33/62/66/262336266.db2.gz RLKHAJLKYUWPJD-LBPRGKRZSA-N 0 1 266.344 3.987 20 0 CHADMN c1cc2c(s1)CCC[C@@H]2NCc1cccc2c1OCO2 ZINC000061328774 262394127 /nfs/dbraw/zinc/39/41/27/262394127.db2.gz GYWHHHFBAHLMGC-ZDUSSCGKSA-N 0 1 287.384 3.644 20 0 CHADMN O=C(C[C@@H]1C=CCCC1)Nc1cccc(Cl)c1O ZINC000187330875 262399991 /nfs/dbraw/zinc/39/99/91/262399991.db2.gz HRNIFNWSQIKRNL-SNVBAGLBSA-N 0 1 265.740 3.731 20 0 CHADMN CCCC[C@H](CC)NCc1noc(-c2ccccc2F)n1 ZINC000435033328 262724922 /nfs/dbraw/zinc/72/49/22/262724922.db2.gz JGPFGUYXRPCNGM-LBPRGKRZSA-N 0 1 291.370 3.934 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H]2CS[C@H](C)C2)cs1 ZINC000414230844 262829845 /nfs/dbraw/zinc/82/98/45/262829845.db2.gz OKVWDDPXGRVSPA-VWYCJHECSA-N 0 1 270.467 3.811 20 0 CHADMN CCn1ccnc1NCc1cc(Cl)ccc1Cl ZINC000414298642 262838726 /nfs/dbraw/zinc/83/87/26/262838726.db2.gz JPHVYOQOEMYFOS-UHFFFAOYSA-N 0 1 270.163 3.822 20 0 CHADMN c1cn2cc(CN[C@H]3CCCCc4ccccc43)nc2s1 ZINC000268816319 262958668 /nfs/dbraw/zinc/95/86/68/262958668.db2.gz QCSNHXXTSNTAIH-INIZCTEOSA-N 0 1 297.427 3.953 20 0 CHADMN COCC[C@H](NCc1cc(C)ccc1C)c1ccco1 ZINC000272537369 263006057 /nfs/dbraw/zinc/00/60/57/263006057.db2.gz KUEPGAKMYZKCAM-INIZCTEOSA-N 0 1 273.376 3.764 20 0 CHADMN COCC[C@@H](NCc1cc(C)cc(C)c1)c1ccco1 ZINC000272544806 263006358 /nfs/dbraw/zinc/00/63/58/263006358.db2.gz LNVWCEVQQLWYCC-MRXNPFEDSA-N 0 1 273.376 3.764 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H](C)c2c(F)cccc2F)n1 ZINC000414611318 263009546 /nfs/dbraw/zinc/00/95/46/263009546.db2.gz CDJJNZQNSUOKEP-CABZTGNLSA-N 0 1 295.333 3.546 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1OCc1nc([C@H](N)CC(C)C)no1 ZINC000414611219 263009579 /nfs/dbraw/zinc/00/95/79/263009579.db2.gz BZZKVFXYLAIJBV-MCIONIFRSA-N 0 1 295.427 3.601 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H](C)c2c(F)cccc2F)n1 ZINC000414611314 263009583 /nfs/dbraw/zinc/00/95/83/263009583.db2.gz CDJJNZQNSUOKEP-BXKDBHETSA-N 0 1 295.333 3.546 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H]2CCCCC2(C)C)n1 ZINC000414613745 263009695 /nfs/dbraw/zinc/00/96/95/263009695.db2.gz GDVQFBYSDUIEAJ-VXGBXAGGSA-N 0 1 265.401 3.799 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C2=CCC(C)(C)CC2)n1 ZINC000414617459 263011982 /nfs/dbraw/zinc/01/19/82/263011982.db2.gz ISUFBHUDSQHMPJ-GFCCVEGCSA-N 0 1 263.385 3.709 20 0 CHADMN CCc1nnc(CN[C@@H](C)C(C)(C)c2ccccc2)s1 ZINC000273095338 263012499 /nfs/dbraw/zinc/01/24/99/263012499.db2.gz DEXOTLFPIIGVEE-LBPRGKRZSA-N 0 1 289.448 3.556 20 0 CHADMN CC(C)C[C@@H](N)c1noc(Cc2cccc(C(F)F)c2)n1 ZINC000414622999 263014830 /nfs/dbraw/zinc/01/48/30/263014830.db2.gz MXNIADHHWWDBQP-GFCCVEGCSA-N 0 1 295.333 3.644 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2ccc3c(c2)CCC=C3)n1 ZINC000414622728 263015014 /nfs/dbraw/zinc/01/50/14/263015014.db2.gz SQIJBVCTTIBGQW-HNNXBMFYSA-N 0 1 283.375 3.742 20 0 CHADMN CCC1(c2nc([C@@H](N)CC(C)C)no2)CCCCC1 ZINC000414623844 263015480 /nfs/dbraw/zinc/01/54/80/263015480.db2.gz UTXUPAPZMQEXSA-LBPRGKRZSA-N 0 1 265.401 3.727 20 0 CHADMN NC1(c2noc(/C=C/c3ccc(C4CC4)cc3)n2)CCCC1 ZINC000414630571 263017288 /nfs/dbraw/zinc/01/72/88/263017288.db2.gz UPXMOTVCEPZZQG-BJMVGYQFSA-N 0 1 295.386 3.845 20 0 CHADMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000414686767 263032263 /nfs/dbraw/zinc/03/22/63/263032263.db2.gz VXOZDVMUGYANTL-KRWDZBQOSA-N 0 1 299.345 3.542 20 0 CHADMN C[C@@H]1CCSCCN1Cc1coc(-c2ccccc2)n1 ZINC000276815837 263038199 /nfs/dbraw/zinc/03/81/99/263038199.db2.gz ORYZQJMQDPXUIM-CYBMUJFWSA-N 0 1 288.416 3.669 20 0 CHADMN c1ccc2ncc(CN3CCC[C@@H]3c3ccncc3)cc2c1 ZINC000282075230 263073992 /nfs/dbraw/zinc/07/39/92/263073992.db2.gz TYOORXSQQUBACJ-LJQANCHMSA-N 0 1 289.382 3.967 20 0 CHADMN CC[C@@H](CN[C@@H](C)c1cc(C)on1)Oc1cccc(F)c1 ZINC000284055407 263085654 /nfs/dbraw/zinc/08/56/54/263085654.db2.gz KMLVPESKSRJDEL-JSGCOSHPSA-N 0 1 292.354 3.630 20 0 CHADMN CCN(C[C@@H](C)OC)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000291117936 263120281 /nfs/dbraw/zinc/12/02/81/263120281.db2.gz AOYMROYZJYXUFN-ZIAGYGMSSA-N 0 1 288.391 3.759 20 0 CHADMN CC[C@@H]1C[N@H+]([C@H]2CCc3ccc(Cl)cc32)CCCO1 ZINC000439484554 263125780 /nfs/dbraw/zinc/12/57/80/263125780.db2.gz FSMQSROXCGAQMF-ZBFHGGJFSA-N 0 1 279.811 3.828 20 0 CHADMN CCc1noc(C)c1CN[C@H]1C[C@@H](C)c2ccccc21 ZINC000293609794 263144299 /nfs/dbraw/zinc/14/42/99/263144299.db2.gz FADYNCXTHBRVGK-DIFFPNOSSA-N 0 1 270.376 3.884 20 0 CHADMN Cc1[nH]ncc1CN1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC000293865970 263151432 /nfs/dbraw/zinc/15/14/32/263151432.db2.gz IPTFIMLRXNXIKK-CYBMUJFWSA-N 0 1 295.308 3.774 20 0 CHADMN FCC1CCN(Cc2cc(-c3ccccc3)on2)CC1 ZINC000295066800 263171726 /nfs/dbraw/zinc/17/17/26/263171726.db2.gz COYDLGRITLKIOL-UHFFFAOYSA-N 0 1 274.339 3.523 20 0 CHADMN CC[C@@H](CNCc1ncc(C)s1)Oc1ccccc1F ZINC000295903386 263183682 /nfs/dbraw/zinc/18/36/82/263183682.db2.gz ZCJAWGRZXXRDBV-LBPRGKRZSA-N 0 1 294.395 3.538 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H]1C[C@@H](C)n3ccnc31)CCC2 ZINC000297330656 263203568 /nfs/dbraw/zinc/20/35/68/263203568.db2.gz NXROGHIZZNZZJM-XYPHTWIQSA-N 0 1 281.403 3.865 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](N[C@H](C)c1nccn1C)CC2 ZINC000187801852 263268874 /nfs/dbraw/zinc/26/88/74/263268874.db2.gz NMXYQMXZMOAVAU-CXAGYDPISA-N 0 1 283.419 3.882 20 0 CHADMN FC(F)[C@H](CCc1ccccc1)NC[C@H]1CC12CC2 ZINC000417340724 263803131 /nfs/dbraw/zinc/80/31/31/263803131.db2.gz PTGQREWLIVCXTO-KGLIPLIRSA-N 0 1 265.347 3.643 20 0 CHADMN CC(C)Oc1ccccc1CN1CC(CC(F)F)C1 ZINC000425350684 264025538 /nfs/dbraw/zinc/02/55/38/264025538.db2.gz FVAINOXJIUHNJH-UHFFFAOYSA-N 0 1 269.335 3.561 20 0 CHADMN CCC1(C(=O)Nc2cc(C(C)=O)ccc2O)CCCCC1 ZINC000330907322 264074502 /nfs/dbraw/zinc/07/45/02/264074502.db2.gz SRAZMMPLGKCNQV-UHFFFAOYSA-N 0 1 289.375 3.894 20 0 CHADMN CS[C@@H]1CC[C@H]1NCc1nc(C(C)C)c(C)s1 ZINC000425353949 264126286 /nfs/dbraw/zinc/12/62/86/264126286.db2.gz NPKHEZLNUCZKON-GHMZBOCLSA-N 0 1 270.467 3.559 20 0 CHADMN CCn1ccnc1CN1CC(C)(C)C[C@H]1c1ccccc1 ZINC000425374239 264202774 /nfs/dbraw/zinc/20/27/74/264202774.db2.gz RTNMROAFLOLIQE-INIZCTEOSA-N 0 1 283.419 3.876 20 0 CHADMN CC(C)n1cncc1C[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000425372698 264202943 /nfs/dbraw/zinc/20/29/43/264202943.db2.gz UCSJILZEAFMULD-AWEZNQCLSA-N 0 1 263.429 3.722 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000251096370 264270623 /nfs/dbraw/zinc/27/06/23/264270623.db2.gz LPUQWFXQTARWSO-DTWKUNHWSA-N 0 1 290.190 3.707 20 0 CHADMN FC(F)c1noc(CN2CCC[C@H]2C2CCCCC2)n1 ZINC000425406621 264284764 /nfs/dbraw/zinc/28/47/64/264284764.db2.gz MXKIBKMGHQDLOQ-NSHDSACASA-N 0 1 285.338 3.552 20 0 CHADMN COc1ccc(CNCc2ccc(Cl)cc2F)cc1 ZINC000157304923 264305152 /nfs/dbraw/zinc/30/51/52/264305152.db2.gz SFERMBAOCXNCSB-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1ccc(SC)cc1 ZINC000189572986 264305275 /nfs/dbraw/zinc/30/52/75/264305275.db2.gz WDERNDSPYILMLY-GFCCVEGCSA-N 0 1 288.416 3.663 20 0 CHADMN C[C@@H](NCc1nc(C(F)F)no1)[C@@H](C)C1CCCCC1 ZINC000425431745 264321668 /nfs/dbraw/zinc/32/16/68/264321668.db2.gz IXWHTIBRPIKYQS-NXEZZACHSA-N 0 1 287.354 3.702 20 0 CHADMN CC(C)CC[C@H](NCc1nc(C(F)F)no1)C(C)(C)C ZINC000425431777 264321834 /nfs/dbraw/zinc/32/18/34/264321834.db2.gz AALCCTGUHVSYDN-JTQLQIEISA-N 0 1 289.370 3.948 20 0 CHADMN CCOC[C@H](N[C@H](C)c1c(F)cccc1F)C(C)C ZINC000189803585 264326554 /nfs/dbraw/zinc/32/65/54/264326554.db2.gz GFGGETOHKQYXLC-RISCZKNCSA-N 0 1 271.351 3.677 20 0 CHADMN CCOC[C@@H](N[C@H](C)c1c(F)cccc1F)C(C)C ZINC000189803602 264326595 /nfs/dbraw/zinc/32/65/95/264326595.db2.gz GFGGETOHKQYXLC-BXUZGUMPSA-N 0 1 271.351 3.677 20 0 CHADMN Cc1cncc(CN(C)Cc2cc3ccccc3o2)c1 ZINC000189913185 264336164 /nfs/dbraw/zinc/33/61/64/264336164.db2.gz RCXSXWHXRHTPCU-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN CC[C@H]1CCCC[C@H]1NCc1nc(C2CCCC2)no1 ZINC000163362983 264351783 /nfs/dbraw/zinc/35/17/83/264351783.db2.gz LZXYRSHFGYQYPX-GXTWGEPZSA-N 0 1 277.412 3.786 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cc4sccc4[nH]3)[nH]c2c1 ZINC000344481348 265060451 /nfs/dbraw/zinc/06/04/51/265060451.db2.gz UUFHAAQPFPXQBX-UHFFFAOYSA-N 0 1 296.355 3.666 20 0 CHADMN Cc1ccc2nc(NC(=O)c3ccc4c(c3)CCC4)[nH]c2c1 ZINC000344481788 265060640 /nfs/dbraw/zinc/06/06/40/265060640.db2.gz IAZJPSMZANKXDV-UHFFFAOYSA-N 0 1 291.354 3.612 20 0 CHADMN Cc1cc(Cl)c(NC(=O)C(C)(C)c2cnc[nH]2)cc1C ZINC000334630822 265066756 /nfs/dbraw/zinc/06/67/56/265066756.db2.gz ZSHRDDVVHQSQSD-UHFFFAOYSA-N 0 1 291.782 3.596 20 0 CHADMN CCC1CCN([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000518851954 265183367 /nfs/dbraw/zinc/18/33/67/265183367.db2.gz HHBUQYDDBSXFEZ-HNNXBMFYSA-N 0 1 288.435 3.752 20 0 CHADMN Fc1cncc(CN[C@H]2CCc3c2cccc3Cl)c1 ZINC000335829163 265219284 /nfs/dbraw/zinc/21/92/84/265219284.db2.gz HUOSNXSEFBOTHL-HNNXBMFYSA-N 0 1 276.742 3.651 20 0 CHADMN Cc1cnccc1CC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000518971040 265262772 /nfs/dbraw/zinc/26/27/72/265262772.db2.gz ULCDCSNNAYCXAM-QGZVFWFLSA-N 0 1 282.387 3.753 20 0 CHADMN COc1ccc2c(c1)CN(C/C=C/c1ccccc1)CC2 ZINC000519215941 265368008 /nfs/dbraw/zinc/36/80/08/265368008.db2.gz RKRCLAYNKKFWQJ-VMPITWQZSA-N 0 1 279.383 3.767 20 0 CHADMN CCc1ccccc1CNCc1cn2cc(Cl)ccc2n1 ZINC000096867596 265392276 /nfs/dbraw/zinc/39/22/76/265392276.db2.gz LJFTVCPDGPBOOI-UHFFFAOYSA-N 0 1 299.805 3.840 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc2ccccc2o1)c1ccnn1C ZINC000192248756 265896156 /nfs/dbraw/zinc/89/61/56/265896156.db2.gz DMAMRAXXYMPFJB-NEPJUHHUSA-N 0 1 269.348 3.578 20 0 CHADMN CCCC1(CNC(=O)c2ccc(O)c(Cl)c2)CCC1 ZINC000392093549 266019623 /nfs/dbraw/zinc/01/96/23/266019623.db2.gz LACOBLYSXUXKAM-UHFFFAOYSA-N 0 1 281.783 3.746 20 0 CHADMN COc1ccc(CNCc2ccc(C)cc2C)c(F)c1 ZINC000514621308 266021057 /nfs/dbraw/zinc/02/10/57/266021057.db2.gz DGAWMVSFLCDHBC-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN CC[C@@H](Cc1nc(-c2ccc3[nH]cnc3c2)no1)C(C)C ZINC000514639702 266023954 /nfs/dbraw/zinc/02/39/54/266023954.db2.gz UYYWPPBZNOCAPE-NSHDSACASA-N 0 1 284.363 3.838 20 0 CHADMN CC1(C)CN(Cc2ccc3occc3c2)[C@@H]1[C@@H]1CCCO1 ZINC000356254091 266081884 /nfs/dbraw/zinc/08/18/84/266081884.db2.gz GZRCUFIAWZUAJE-DLBZAZTESA-N 0 1 285.387 3.822 20 0 CHADMN Cc1c[nH]nc1CN1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000356312946 266093552 /nfs/dbraw/zinc/09/35/52/266093552.db2.gz CUGBUIPAJOVFRL-CXAGYDPISA-N 0 1 269.392 3.691 20 0 CHADMN COc1ccc2c(c1)C1(CC1)CN(Cc1occc1C)C2 ZINC000356529821 266131897 /nfs/dbraw/zinc/13/18/97/266131897.db2.gz PZROBEUYFJIINR-UHFFFAOYSA-N 0 1 283.371 3.644 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cnccc2C)cc1F ZINC000356667798 266157059 /nfs/dbraw/zinc/15/70/59/266157059.db2.gz BGBTZGXPNJKVRH-STQMWFEESA-N 0 1 288.366 3.950 20 0 CHADMN Cc1cc(-c2noc(C34CCC(CC3)C4)n2)cc2nc[nH]c21 ZINC000356948856 266217472 /nfs/dbraw/zinc/21/74/72/266217472.db2.gz LOIRPXMTFUVOBT-UHFFFAOYSA-N 0 1 294.358 3.753 20 0 CHADMN CCN(CCc1ccccc1)[C@H](C)c1ncc(C)o1 ZINC000356959500 266218243 /nfs/dbraw/zinc/21/82/43/266218243.db2.gz YCVMVEQRKBSFFA-CQSZACIVSA-N 0 1 258.365 3.609 20 0 CHADMN Cc1ccc(O)c(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)n1 ZINC000356999172 266228907 /nfs/dbraw/zinc/22/89/07/266228907.db2.gz OZSVZWJGKKADTL-DVQDXYAYSA-N 0 1 294.398 3.773 20 0 CHADMN CCN(CCc1cccs1)[C@H](C)c1ncc(C)o1 ZINC000357011080 266232370 /nfs/dbraw/zinc/23/23/70/266232370.db2.gz XVQPVQFOKDMIQH-GFCCVEGCSA-N 0 1 264.394 3.670 20 0 CHADMN C[C@H](C1CCC1)N(C)Cc1csc(C2CC2)n1 ZINC000357026270 266235346 /nfs/dbraw/zinc/23/53/46/266235346.db2.gz QKESXUHJNHEGKL-SNVBAGLBSA-N 0 1 250.411 3.641 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](Cc1ccn(C2CCCC2)n1)C1CC1 ZINC000357167733 266259544 /nfs/dbraw/zinc/25/95/44/266259544.db2.gz JPYBUERCOAHLCI-ZDUSSCGKSA-N 0 1 273.424 3.761 20 0 CHADMN C[C@@H](C1CC1)N(Cc1ccn(C2CCCC2)n1)C1CC1 ZINC000357167733 266259546 /nfs/dbraw/zinc/25/95/46/266259546.db2.gz JPYBUERCOAHLCI-ZDUSSCGKSA-N 0 1 273.424 3.761 20 0 CHADMN CCc1cc(OC)ccc1CN[C@@H]1COCc2ccccc21 ZINC000418109064 266272194 /nfs/dbraw/zinc/27/21/94/266272194.db2.gz SLRSTWPVEFLQKH-LJQANCHMSA-N 0 1 297.398 3.619 20 0 CHADMN Cc1nccc(N[C@@H]2CCc3ccccc32)c1Cl ZINC000357325693 266274816 /nfs/dbraw/zinc/27/48/16/266274816.db2.gz VJIIEJYVMXPHBO-CYBMUJFWSA-N 0 1 258.752 3.565 20 0 CHADMN c1c2ccccc2oc1CN(Cc1ccncc1)C1CC1 ZINC000357363086 266283944 /nfs/dbraw/zinc/28/39/44/266283944.db2.gz NOWVRZHJSAVQJD-UHFFFAOYSA-N 0 1 278.355 3.992 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2C[C@H](C)CCC[C@@H]2C)c1 ZINC000357436005 266295381 /nfs/dbraw/zinc/29/53/81/266295381.db2.gz JEYZTGZOTUAHFV-YPMHNXCESA-N 0 1 285.391 3.522 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC000357490957 266308148 /nfs/dbraw/zinc/30/81/48/266308148.db2.gz DCSNXATUSCITOH-YABSGUDNSA-N 0 1 289.375 3.606 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC[C@@]3(CC=CCC3)C2)o1 ZINC000114495215 266309702 /nfs/dbraw/zinc/30/97/02/266309702.db2.gz NDHJFSDAPMRPIU-CJNGLKHVSA-N 0 1 275.396 3.515 20 0 CHADMN Fc1ccc2c(c1)nccc2NCc1ccc2cc[nH]c2n1 ZINC000357546518 266320079 /nfs/dbraw/zinc/32/00/79/266320079.db2.gz JYFYVNUBINAOOQ-UHFFFAOYSA-N 0 1 292.317 3.862 20 0 CHADMN Cc1ccc(-c2cc(-c3nc([C@H](C)C4CC4)no3)[nH]n2)o1 ZINC000357601583 266334046 /nfs/dbraw/zinc/33/40/46/266334046.db2.gz YTDJWXGOZNHMQU-SECBINFHSA-N 0 1 284.319 3.542 20 0 CHADMN C[C@H](c1cccnc1)N(C)CCO[C@@H]1CCCC[C@H]1C ZINC000357615987 266337289 /nfs/dbraw/zinc/33/72/89/266337289.db2.gz WBUHVVCFUUIOPC-BFYDXBDKSA-N 0 1 276.424 3.670 20 0 CHADMN Cc1cc(N2CCC[C@H](F)C2)c2cc(F)ccc2n1 ZINC000357684119 266346416 /nfs/dbraw/zinc/34/64/16/266346416.db2.gz JXCLLVYRUXLSBR-LBPRGKRZSA-N 0 1 262.303 3.621 20 0 CHADMN Cc1ccc(-c2nnc(CN3CCC[C@@H](C)[C@@H]3C)o2)cc1 ZINC000357737602 266353465 /nfs/dbraw/zinc/35/34/65/266353465.db2.gz XMDLQKSHBRJKDO-KGLIPLIRSA-N 0 1 285.391 3.665 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)CCC2)c1cncc(F)c1 ZINC000357988982 266393490 /nfs/dbraw/zinc/39/34/90/266393490.db2.gz GDMZZHDOTJACIC-GFCCVEGCSA-N 0 1 270.351 3.560 20 0 CHADMN COc1ccc(CN[C@@H]2CSc3ccccc32)cc1F ZINC000358004018 266396395 /nfs/dbraw/zinc/39/63/95/266396395.db2.gz JJALAAOOJVCUJS-CQSZACIVSA-N 0 1 289.375 3.771 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H](CO)c2sccc2C)o1 ZINC000358400132 266460124 /nfs/dbraw/zinc/46/01/24/266460124.db2.gz LFFNQWOJMZDFGH-DGCLKSJQSA-N 0 1 279.405 3.596 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cc(C)ccc1OC ZINC000358507454 266471239 /nfs/dbraw/zinc/47/12/39/266471239.db2.gz KJZVXMYXXZRHIW-CQSZACIVSA-N 0 1 284.403 3.812 20 0 CHADMN Clc1sccc1CNc1cnccc1-n1cccn1 ZINC000359684436 266623648 /nfs/dbraw/zinc/62/36/48/266623648.db2.gz YEQLQQGVNSYIIB-UHFFFAOYSA-N 0 1 290.779 3.594 20 0 CHADMN Cc1ccc(CN2CC[C@H]2c2ccccc2)c(C)n1 ZINC000359877659 266651522 /nfs/dbraw/zinc/65/15/22/266651522.db2.gz OKGXLMOHOWEAJJ-KRWDZBQOSA-N 0 1 252.361 3.645 20 0 CHADMN COCCN(Cc1ncc(C(C)C)s1)[C@H]1CC[C@H](C)C1 ZINC000361638289 266860266 /nfs/dbraw/zinc/86/02/66/266860266.db2.gz BUFPCKCNPXFKGA-KBPBESRZSA-N 0 1 296.480 3.904 20 0 CHADMN Fc1ccc(CN2CCC(c3cn[nH]c3)CC2)cc1Cl ZINC000362621955 267024865 /nfs/dbraw/zinc/02/48/65/267024865.db2.gz LKVFSBXCCCKHSH-UHFFFAOYSA-N 0 1 293.773 3.582 20 0 CHADMN c1ccc(COc2cncc(CN3CCCCC3)c2)cc1 ZINC000362966902 267068315 /nfs/dbraw/zinc/06/83/15/267068315.db2.gz NJNAZSFNKDKEGT-UHFFFAOYSA-N 0 1 282.387 3.647 20 0 CHADMN Cc1c(CN(Cc2cccc(Cl)c2)C(C)C)cnn1C ZINC000507146854 267080542 /nfs/dbraw/zinc/08/05/42/267080542.db2.gz XYUUSURBNGHNMZ-UHFFFAOYSA-N 0 1 291.826 3.793 20 0 CHADMN Cc1c2ccccc2oc1CN[C@H](C)c1cccnc1 ZINC000115600628 267101441 /nfs/dbraw/zinc/10/14/41/267101441.db2.gz DJXSUMPGWZBFMN-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NCc1cccc2[nH]ccc21 ZINC000367957435 267130748 /nfs/dbraw/zinc/13/07/48/267130748.db2.gz KNHVKUGUUMGPEO-BBATYDOGSA-N 0 1 296.345 3.919 20 0 CHADMN COCC[C@H]1CCCCN(Cc2cc(C(C)(C)C)on2)C1 ZINC000368058007 267143518 /nfs/dbraw/zinc/14/35/18/267143518.db2.gz PFSZGFGMVOIPMT-CQSZACIVSA-N 0 1 294.439 3.611 20 0 CHADMN CC(C)CN1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000368341029 267164221 /nfs/dbraw/zinc/16/42/21/267164221.db2.gz DKJZHQVDIGJXAI-CYBMUJFWSA-N 0 1 263.385 3.520 20 0 CHADMN CC[C@H](C)N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000368356696 267165021 /nfs/dbraw/zinc/16/50/21/267165021.db2.gz CVZQSNJYECHZDP-NHYWBVRUSA-N 0 1 277.799 3.551 20 0 CHADMN c1nc([C@H]2CCCO2)sc1CN1CCC(C2CC2)CC1 ZINC000368639697 267193668 /nfs/dbraw/zinc/19/36/68/267193668.db2.gz WZBPZKFGVIIVSF-OAHLLOKOSA-N 0 1 292.448 3.617 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2ccc(C3CC3)cc2)cn1 ZINC000418119210 267264803 /nfs/dbraw/zinc/26/48/03/267264803.db2.gz UNYWFLQFDBCSMJ-LBPRGKRZSA-N 0 1 267.376 3.513 20 0 CHADMN C[C@H]1CCCC[C@H]1OCCNC(C)(C)c1nccs1 ZINC000118848502 267274117 /nfs/dbraw/zinc/27/41/17/267274117.db2.gz YWEYLZOCERJWOL-QWHCGFSZSA-N 0 1 282.453 3.563 20 0 CHADMN COC(=O)c1cccc(CN([C@@H](C)c2ccco2)C2CC2)c1 ZINC000119168250 267305108 /nfs/dbraw/zinc/30/51/08/267305108.db2.gz BNJKNDQYDDJARB-ZDUSSCGKSA-N 0 1 299.370 3.792 20 0 CHADMN Cc1nc(CN2CCC[C@H](CC(C)C)C2)cs1 ZINC000119370218 267324991 /nfs/dbraw/zinc/32/49/91/267324991.db2.gz VXYDBGPDQNHKIM-CYBMUJFWSA-N 0 1 252.427 3.710 20 0 CHADMN Cc1nc(CCN(C)[C@H](C)c2cc(F)ccc2F)cs1 ZINC000119238907 267312289 /nfs/dbraw/zinc/31/22/89/267312289.db2.gz UOBGGKLTKDLHPY-SNVBAGLBSA-N 0 1 296.386 3.965 20 0 CHADMN Cc1nc(CN2CCC[C@H](CC(C)C)C2)oc1C ZINC000119275500 267314284 /nfs/dbraw/zinc/31/42/84/267314284.db2.gz RIDRIWRLLWXEFX-CQSZACIVSA-N 0 1 250.386 3.550 20 0 CHADMN Cc1nn(C)cc1[C@H]1CCCN1Cc1ccccc1Cl ZINC000370416492 267317393 /nfs/dbraw/zinc/31/73/93/267317393.db2.gz RITMKCBHYXDJEY-MRXNPFEDSA-N 0 1 289.810 3.719 20 0 CHADMN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1ccncc1Cl ZINC000119373252 267325701 /nfs/dbraw/zinc/32/57/01/267325701.db2.gz IDSHEIHSEKLZJW-LBPRGKRZSA-N 0 1 290.794 3.504 20 0 CHADMN Cc1cn[nH]c1CN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000370690088 267339733 /nfs/dbraw/zinc/33/97/33/267339733.db2.gz LVCKYPIBRZKZDX-HNNXBMFYSA-N 0 1 296.374 3.587 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1nc2ccc(F)cc2o1 ZINC000119540874 267344181 /nfs/dbraw/zinc/34/41/81/267344181.db2.gz ICKQJMMJUHIYNM-PHIMTYICSA-N 0 1 262.328 3.730 20 0 CHADMN CCn1cncc1CN[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000418133382 267359778 /nfs/dbraw/zinc/35/97/78/267359778.db2.gz FVADZVBXGMRCPR-LRDDRELGSA-N 0 1 289.810 3.581 20 0 CHADMN CO[C@@H](CN1CCC[C@H]1c1cc(C)on1)c1ccccc1 ZINC000371183725 267360478 /nfs/dbraw/zinc/36/04/78/267360478.db2.gz KGMZGTWHSYYFAJ-IRXDYDNUSA-N 0 1 286.375 3.508 20 0 CHADMN CCC[C@@H](NC(=O)[C@H](C)N1CCCCC1)c1ccccc1 ZINC000302743742 267546091 /nfs/dbraw/zinc/54/60/91/267546091.db2.gz NGKCNCZBXZLSDI-DOTOQJQBSA-N 0 1 288.435 3.518 20 0 CHADMN Cc1oc2ccccc2c1CNCc1cnc2n1CCCC2 ZINC000376759799 268014236 /nfs/dbraw/zinc/01/42/36/268014236.db2.gz XFHDKDUABWBVDI-UHFFFAOYSA-N 0 1 295.386 3.564 20 0 CHADMN CO[C@]1(C)CCCN(c2ccnc3cc(F)ccc32)CC1 ZINC000377212308 268056629 /nfs/dbraw/zinc/05/66/29/268056629.db2.gz AFMUZCBVRTYUQP-QGZVFWFLSA-N 0 1 288.366 3.769 20 0 CHADMN Cc1ccc(C)c(OC2CCN(Cc3ccco3)CC2)c1 ZINC000352676228 533690168 /nfs/dbraw/zinc/69/01/68/533690168.db2.gz GRNSTTPSGAGGFM-UHFFFAOYSA-N 0 1 285.387 3.940 20 0 CHADMN CCCCO[C@@H]1C[C@H](NCc2ccn(C(C)C)n2)C1(C)C ZINC000570915272 327634074 /nfs/dbraw/zinc/63/40/74/327634074.db2.gz RCPWXHQCVUGTBR-JKSUJKDBSA-N 0 1 293.455 3.537 20 0 CHADMN C[C@H](NCc1ccccc1N(C)C)c1ccc(F)c(F)c1 ZINC000171126307 327751832 /nfs/dbraw/zinc/75/18/32/327751832.db2.gz PLTKLNVSJYIJKK-LBPRGKRZSA-N 0 1 290.357 3.882 20 0 CHADMN CCCOc1ccc(CNCc2ccc3c(n2)CCC3)cc1 ZINC000580285538 327763898 /nfs/dbraw/zinc/76/38/98/327763898.db2.gz RHTYYAKDYOTAKB-UHFFFAOYSA-N 0 1 296.414 3.649 20 0 CHADMN CCc1ccc([C@H](C)NCc2c(C)nn(C)c2Cl)cc1 ZINC000114712834 327798258 /nfs/dbraw/zinc/79/82/58/327798258.db2.gz KLLBAJPKSKFTBE-NSHDSACASA-N 0 1 291.826 3.795 20 0 CHADMN Cc1ccc(CNCc2ccccc2N2CCCCC2)o1 ZINC000180371317 327805232 /nfs/dbraw/zinc/80/52/32/327805232.db2.gz ZCLOXAAXNGROKB-UHFFFAOYSA-N 0 1 284.403 3.868 20 0 CHADMN C[C@H](CC1CC1)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000184657399 327831912 /nfs/dbraw/zinc/83/19/12/327831912.db2.gz AJHOPCOSPSCHCX-MNOVXSKESA-N 0 1 289.354 3.715 20 0 CHADMN C[C@H]1CCC[C@H](NCc2ncc(-c3ccccc3)cn2)C1 ZINC000185867490 327848816 /nfs/dbraw/zinc/84/88/16/327848816.db2.gz HQFLNINKYGZELZ-YOEHRIQHSA-N 0 1 281.403 3.812 20 0 CHADMN CC1(C)CCC[C@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000383062399 327892117 /nfs/dbraw/zinc/89/21/17/327892117.db2.gz NVKACCYNVZDYNX-GFCCVEGCSA-N 0 1 253.773 3.714 20 0 CHADMN C[C@@H](NCc1cncs1)c1ccc(Cl)s1 ZINC000054770767 327903712 /nfs/dbraw/zinc/90/37/12/327903712.db2.gz ARBBRAXXNZJMLN-SSDOTTSWSA-N 0 1 258.799 3.709 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1csc(C2CC2)n1 ZINC000161640930 327917362 /nfs/dbraw/zinc/91/73/62/327917362.db2.gz YUQMTDOPPYYUHL-GHMZBOCLSA-N 0 1 250.411 3.783 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@H](c1ccccc1F)[C@H](C)O ZINC000563264193 328003941 /nfs/dbraw/zinc/00/39/41/328003941.db2.gz OTGFRJUJQDTXHU-DEYYWGMASA-N 0 1 287.378 3.907 20 0 CHADMN CC(C)C[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000563278055 328006667 /nfs/dbraw/zinc/00/66/67/328006667.db2.gz DZVORESARQKTLI-WFASDCNBSA-N 0 1 295.810 3.834 20 0 CHADMN Cc1cc(C[N@H+](C)[C@H](C)c2ccc(C)cc2)oc1C(=O)[O-] ZINC000563278807 328006807 /nfs/dbraw/zinc/00/68/07/328006807.db2.gz WCVFNRRGJKKZQR-CYBMUJFWSA-N 0 1 287.359 3.788 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000563279299 328007001 /nfs/dbraw/zinc/00/70/01/328007001.db2.gz ZIVUFKCVMVPSRO-CQSZACIVSA-N 0 1 281.783 3.659 20 0 CHADMN CCC[C@]1(C)CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000563280090 328007279 /nfs/dbraw/zinc/00/72/79/328007279.db2.gz KDZSCWINZYZXPF-NVXWUHKLSA-N 0 1 275.392 3.715 20 0 CHADMN O=C([O-])CC1(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000563280342 328007301 /nfs/dbraw/zinc/00/73/01/328007301.db2.gz QQVXPUFKYHQKPT-BRWVUGGUSA-N 0 1 299.414 3.509 20 0 CHADMN O=C([O-])CC1(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000563280343 328007321 /nfs/dbraw/zinc/00/73/21/328007321.db2.gz QQVXPUFKYHQKPT-GVDBMIGSSA-N 0 1 299.414 3.509 20 0 CHADMN CC(C)[C@H]1CCCC[N@H+]1CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000563280643 328007559 /nfs/dbraw/zinc/00/75/59/328007559.db2.gz ZBNABYUCEPECHM-IAGOWNOFSA-N 0 1 289.419 3.755 20 0 CHADMN CC(C)c1ccc(CNCc2cccc3c2OCO3)cc1 ZINC000040666970 328015279 /nfs/dbraw/zinc/01/52/79/328015279.db2.gz PCHBYNUKRDITLA-UHFFFAOYSA-N 0 1 283.371 3.829 20 0 CHADMN Cc1cc(C)c(CNCc2cccc3c2OCO3)cc1C ZINC000040667204 328015296 /nfs/dbraw/zinc/01/52/96/328015296.db2.gz OXALXNKLDURXLT-UHFFFAOYSA-N 0 1 283.371 3.630 20 0 CHADMN c1csc(CN[C@@H](CC2CC2)c2ccccc2)n1 ZINC000531684358 328020953 /nfs/dbraw/zinc/02/09/53/328020953.db2.gz UMETYRLTYHULIW-AWEZNQCLSA-N 0 1 258.390 3.774 20 0 CHADMN COCc1cccc(-c2nc3ccc(C)c(C)c3[nH]2)c1 ZINC000534143447 328036741 /nfs/dbraw/zinc/03/67/41/328036741.db2.gz DFTYHIBZGWWIQN-UHFFFAOYSA-N 0 1 266.344 3.993 20 0 CHADMN CC(C)CO[C@@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC000531834856 328041654 /nfs/dbraw/zinc/04/16/54/328041654.db2.gz ZTEUNKPIRUISQK-OAHLLOKOSA-N 0 1 267.800 3.587 20 0 CHADMN Cc1cc(Br)ccc1CN1C2CCC1CC2 ZINC000534331581 328046344 /nfs/dbraw/zinc/04/63/44/328046344.db2.gz CCACLXFXDNOTAJ-UHFFFAOYSA-N 0 1 280.209 3.884 20 0 CHADMN CCOc1cccc(CN2C3CCC2CC3)c1OC(F)F ZINC000534331703 328046436 /nfs/dbraw/zinc/04/64/36/328046436.db2.gz ZRVKGAKMWZLJNH-UHFFFAOYSA-N 0 1 297.345 3.814 20 0 CHADMN C[C@H](O)CN(Cc1ccc([C@H]2C[C@@H]2C)o1)Cc1ccccc1 ZINC000534345772 328047386 /nfs/dbraw/zinc/04/73/86/328047386.db2.gz JUERQOWCRASSAU-MPGHIAIKSA-N 0 1 299.414 3.786 20 0 CHADMN C[C@H](O)CN(Cc1ccc([C@@H]2C[C@@H]2C)o1)Cc1ccccc1 ZINC000534345773 328047390 /nfs/dbraw/zinc/04/73/90/328047390.db2.gz JUERQOWCRASSAU-RLFYNMQTSA-N 0 1 299.414 3.786 20 0 CHADMN C[C@H](O)CN(Cc1ccc([C@@H]2C[C@H]2C)o1)Cc1ccccc1 ZINC000534345774 328047451 /nfs/dbraw/zinc/04/74/51/328047451.db2.gz JUERQOWCRASSAU-RVKKMQEKSA-N 0 1 299.414 3.786 20 0 CHADMN COc1ccc([C@@H](C)NCc2noc3ccccc23)c(C)c1 ZINC000563419335 328063714 /nfs/dbraw/zinc/06/37/14/328063714.db2.gz USZATGNPVBGSNG-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN CC[N@@H+](Cc1ccc(Cl)cc1)C1CCC(C(=O)[O-])CC1 ZINC000563452690 328066039 /nfs/dbraw/zinc/06/60/39/328066039.db2.gz ZFNNPUZTYYWDQP-UHFFFAOYSA-N 0 1 295.810 3.805 20 0 CHADMN Cc1ccc(F)cc1CN1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000563483916 328069151 /nfs/dbraw/zinc/06/91/51/328069151.db2.gz VQBLXXIWOZLIFJ-JKSUJKDBSA-N 0 1 277.383 3.524 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1CC[C@H](C(=O)[O-])c1ccccc1 ZINC000571171903 328090466 /nfs/dbraw/zinc/09/04/66/328090466.db2.gz CNRUDIIWUNFRCY-SJORKVTESA-N 0 1 289.419 3.900 20 0 CHADMN Cc1ccc2cc(CN3C[C@H](C)OC4(CCC4)C3)ccc2n1 ZINC000571210451 328093504 /nfs/dbraw/zinc/09/35/04/328093504.db2.gz NZVAILMKIOHHGD-HNNXBMFYSA-N 0 1 296.414 3.687 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cn3ccccc3n2)s1 ZINC000571245219 328095199 /nfs/dbraw/zinc/09/51/99/328095199.db2.gz ZJDLHDXEJUOMCV-LBPRGKRZSA-N 0 1 271.389 3.555 20 0 CHADMN CCN(Cc1nc(-c2ccsc2)no1)C1CC(C)(C)C1 ZINC000412042373 328101965 /nfs/dbraw/zinc/10/19/65/328101965.db2.gz VCCZAATXTJCKAY-UHFFFAOYSA-N 0 1 291.420 3.809 20 0 CHADMN COc1ccc(CN(C)Cc2cncc(C)c2)cc1Cl ZINC000412043858 328102427 /nfs/dbraw/zinc/10/24/27/328102427.db2.gz PUBNUWNHPOVPBY-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN C[C@H](O)[C@H](NCc1ccc(C2CC2)cc1)c1ccccc1F ZINC000571409476 328120230 /nfs/dbraw/zinc/12/02/30/328120230.db2.gz NHLMLFBJWGELNK-DJJJIMSYSA-N 0 1 299.389 3.915 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC1(C)CCC1 ZINC000571464259 328123671 /nfs/dbraw/zinc/12/36/71/328123671.db2.gz UAZFRXIXXCYKQO-HNNXBMFYSA-N 0 1 275.392 3.715 20 0 CHADMN CC[C@H](CN1CCOC[C@H]1CC(F)F)c1ccccc1 ZINC000571601978 328136760 /nfs/dbraw/zinc/13/67/60/328136760.db2.gz ITUKWJZHCAKTNM-UKRRQHHQSA-N 0 1 283.362 3.536 20 0 CHADMN COc1cccc([C@@H]2C[C@H]2CNc2cc(C)ccn2)c1 ZINC000413578775 328149815 /nfs/dbraw/zinc/14/98/15/328149815.db2.gz UADXDQRWUSGNPC-HOCLYGCPSA-N 0 1 268.360 3.614 20 0 CHADMN Clc1cc(CNC2(c3ccccc3)CC2)ccn1 ZINC000264004851 328156528 /nfs/dbraw/zinc/15/65/28/328156528.db2.gz PLTQUJAIGYDFQL-UHFFFAOYSA-N 0 1 258.752 3.514 20 0 CHADMN CCc1ncc(CN(C)C/C(C)=C\c2ccccc2)cn1 ZINC000414437710 328169935 /nfs/dbraw/zinc/16/99/35/328169935.db2.gz PZMUVAIIHRUJSF-GDNBJRDFSA-N 0 1 281.403 3.574 20 0 CHADMN COCc1ccc(CN[C@H]2CCc3cc(C)ccc32)o1 ZINC000268796555 328186130 /nfs/dbraw/zinc/18/61/30/328186130.db2.gz OIBCLMJNXQXXOF-KRWDZBQOSA-N 0 1 271.360 3.512 20 0 CHADMN Cc1c(CN2CCC[C@@H]2c2ccccc2Cl)cnn1C ZINC000268936944 328187051 /nfs/dbraw/zinc/18/70/51/328187051.db2.gz SACOIXPLSJVSGU-MRXNPFEDSA-N 0 1 289.810 3.719 20 0 CHADMN CCC(C)(C)N(C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000268938378 328187062 /nfs/dbraw/zinc/18/70/62/328187062.db2.gz AMIYDBDRYJESFM-UHFFFAOYSA-N 0 1 295.333 3.635 20 0 CHADMN Cc1c(CN2CCCC[C@@H]2c2ccc(F)cc2)cnn1C ZINC000268959600 328187249 /nfs/dbraw/zinc/18/72/49/328187249.db2.gz XAACZUBTEBIGAF-QGZVFWFLSA-N 0 1 287.382 3.595 20 0 CHADMN C[C@H](N[C@H]1CCc2c1cccc2F)c1cncs1 ZINC000269015053 328188677 /nfs/dbraw/zinc/18/86/77/328188677.db2.gz OIKXMJRUJJZRAC-ZANVPECISA-N 0 1 262.353 3.620 20 0 CHADMN CC[C@@H](NCc1cc2c(cc1OC)OCO2)c1ccccc1 ZINC000414497612 328189658 /nfs/dbraw/zinc/18/96/58/328189658.db2.gz UHPACSFAMWSTQH-OAHLLOKOSA-N 0 1 299.370 3.665 20 0 CHADMN CC(C)(C)c1ccncc1CNCc1ccc(F)c(F)c1 ZINC000414501301 328189916 /nfs/dbraw/zinc/18/99/16/328189916.db2.gz RYEDUIBTYGJKIH-UHFFFAOYSA-N 0 1 290.357 3.947 20 0 CHADMN Clc1ccc([C@H]2CN(CC3CCC3)CCO2)cc1 ZINC000173551159 329149093 /nfs/dbraw/zinc/14/90/93/329149093.db2.gz LVGZAHGHWQTNBT-OAHLLOKOSA-N 0 1 265.784 3.513 20 0 CHADMN CC1CCC([N@@H+](Cc2occc2C(=O)[O-])C2CC2)CC1 ZINC000571648363 328193601 /nfs/dbraw/zinc/19/36/01/328193601.db2.gz NWLHKFCCNNLAPX-UHFFFAOYSA-N 0 1 277.364 3.521 20 0 CHADMN CCN(Cc1occc1C)Cc1ccccc1NC(C)=O ZINC000414554711 328194073 /nfs/dbraw/zinc/19/40/73/328194073.db2.gz VNZDXARBNHRHSF-UHFFFAOYSA-N 0 1 286.375 3.569 20 0 CHADMN Clc1sccc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000414594709 328199242 /nfs/dbraw/zinc/19/92/42/328199242.db2.gz SHAIOQRMACESBC-NXEZZACHSA-N 0 1 253.754 3.640 20 0 CHADMN C[C@H](CCC(C)(C)C)c1nc(C2(N)CCCC2)no1 ZINC000414620543 328204377 /nfs/dbraw/zinc/20/43/77/328204377.db2.gz PZQUDNHPMVTVCQ-LLVKDONJSA-N 0 1 265.401 3.727 20 0 CHADMN Cc1cc(C)cc(/C=C/c2nc(C3(N)CCCC3)no2)c1 ZINC000414612315 328201301 /nfs/dbraw/zinc/20/13/01/328201301.db2.gz DNFJDUITASUEBF-AATRIKPKSA-N 0 1 283.375 3.585 20 0 CHADMN Cc1[nH]c2ccc(-c3nc([C@H](N)CC(C)C)no3)cc2c1C ZINC000414618710 328203783 /nfs/dbraw/zinc/20/37/83/328203783.db2.gz MZJLOCXQHAABKJ-CQSZACIVSA-N 0 1 298.390 3.881 20 0 CHADMN CC[C@H]1CC[C@H](c2nc([C@H](N)CC(C)C)no2)CC1 ZINC000414624370 328205005 /nfs/dbraw/zinc/20/50/05/328205005.db2.gz VGAWSQPFIFZIMP-JHJVBQTASA-N 0 1 265.401 3.799 20 0 CHADMN Fc1cccc(CN2CC[C@H](c3ccncc3)C2)c1Cl ZINC000571652652 328213135 /nfs/dbraw/zinc/21/31/35/328213135.db2.gz BECZRYWRKUHOMQ-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN CC[C@H](N[C@H](C)c1cc(C(=O)OC)co1)c1ccccc1 ZINC000278688413 328229555 /nfs/dbraw/zinc/22/95/55/328229555.db2.gz KGKSUHHXWRCWBG-DOMZBBRYSA-N 0 1 287.359 3.868 20 0 CHADMN Cc1scc(C(=O)Nc2cccc(Cl)c2O)c1C ZINC000180490532 329219963 /nfs/dbraw/zinc/21/99/63/329219963.db2.gz BHSMKOGCUPWUCE-UHFFFAOYSA-N 0 1 281.764 3.976 20 0 CHADMN CN(C)[C@H](CNc1nccc2ccc(F)cc21)c1ccco1 ZINC000340202432 328247534 /nfs/dbraw/zinc/24/75/34/328247534.db2.gz IUUFBVUAGOGQKY-OAHLLOKOSA-N 0 1 299.349 3.682 20 0 CHADMN Cc1nn(-c2ccc(F)cc2)cc1CNCc1ccoc1C ZINC000340439876 328277534 /nfs/dbraw/zinc/27/75/34/328277534.db2.gz NNJGAAPQDLWPLY-UHFFFAOYSA-N 0 1 299.349 3.511 20 0 CHADMN Cc1cnn(C)c1CN[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000394882017 328300131 /nfs/dbraw/zinc/30/01/31/328300131.db2.gz LUDOAXUBFMQJKE-JTQLQIEISA-N 0 1 298.217 3.886 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000187778619 328302997 /nfs/dbraw/zinc/30/29/97/328302997.db2.gz WHGSLXUHUBQYGS-UKRRQHHQSA-N 0 1 299.418 3.984 20 0 CHADMN CN(Cc1cc(Cl)ccc1Cl)[C@H]1CCSC1 ZINC000534579297 328311400 /nfs/dbraw/zinc/31/14/00/328311400.db2.gz JYFVIWWUVZKSPS-NSHDSACASA-N 0 1 276.232 3.931 20 0 CHADMN CCC1CCN([C@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000048584393 328317678 /nfs/dbraw/zinc/31/76/78/328317678.db2.gz XCHSRAYGIQNICP-GFCCVEGCSA-N 0 1 294.826 3.789 20 0 CHADMN COc1cc(CN[C@H](C)c2ccoc2)ccc1OC(F)F ZINC000531944520 328323350 /nfs/dbraw/zinc/32/33/50/328323350.db2.gz VGSFHUHXBSEEPJ-SNVBAGLBSA-N 0 1 297.301 3.740 20 0 CHADMN CC[C@H](C)CNc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000531931023 328319618 /nfs/dbraw/zinc/31/96/18/328319618.db2.gz BOBAKLLQWALYRW-HRCADAONSA-N 0 1 290.451 3.754 20 0 CHADMN CC[C@H](C)CNc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000531931023 328319619 /nfs/dbraw/zinc/31/96/19/328319619.db2.gz BOBAKLLQWALYRW-HRCADAONSA-N 0 1 290.451 3.754 20 0 CHADMN CC[C@H](C)[C@@H](C)N[C@@H](c1nccn1C)c1ccccc1 ZINC000531942529 328325396 /nfs/dbraw/zinc/32/53/96/328325396.db2.gz HRXBNGUKFZVGEH-SQWLQELKSA-N 0 1 271.408 3.534 20 0 CHADMN C[C@H](NCC(=O)Nc1ccccc1)c1ccc(Cl)s1 ZINC000049129521 328341567 /nfs/dbraw/zinc/34/15/67/328341567.db2.gz NQFDOMSZIDYGPM-JTQLQIEISA-N 0 1 294.807 3.691 20 0 CHADMN CC[C@@H](C)CN1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000534665943 328344945 /nfs/dbraw/zinc/34/49/45/328344945.db2.gz SJXAWRAWQYJRSN-IUODEOHRSA-N 0 1 299.361 3.707 20 0 CHADMN C[C@H]1CN(CCc2ccccc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000303833058 328359834 /nfs/dbraw/zinc/35/98/34/328359834.db2.gz ACLNYFFCBYOMIS-KXBFYZLASA-N 0 1 299.389 3.830 20 0 CHADMN C[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)c1cccc(CO)c1 ZINC000534798247 328362230 /nfs/dbraw/zinc/36/22/30/328362230.db2.gz IOOUCPUPBSKLPX-DCGLDWPTSA-N 0 1 285.387 3.746 20 0 CHADMN CCc1cc(CN[C@@H]2c3cccc(F)c3CC[C@H]2C)on1 ZINC000531976996 328367935 /nfs/dbraw/zinc/36/79/35/328367935.db2.gz CYWFCQGFGYKOCS-DIFFPNOSSA-N 0 1 288.366 3.789 20 0 CHADMN CSc1ccc(CNCc2ccc(F)cc2F)cc1 ZINC000049592772 328373907 /nfs/dbraw/zinc/37/39/07/328373907.db2.gz FIGMGMMFCXJRBB-UHFFFAOYSA-N 0 1 279.355 3.977 20 0 CHADMN COc1ccc(CN2CCC(OC(C)C)CC2)cc1Cl ZINC000535011408 328376391 /nfs/dbraw/zinc/37/63/91/328376391.db2.gz IUNUEUUOWQUCGT-UHFFFAOYSA-N 0 1 297.826 3.738 20 0 CHADMN C[C@H]1C[C@H]1CN(C)Cc1ccc(F)cc1Br ZINC000111734783 328377894 /nfs/dbraw/zinc/37/78/94/328377894.db2.gz AGSZKAPJDFEQFK-ONGXEEELSA-N 0 1 286.188 3.676 20 0 CHADMN C[C@@H]1C[C@@H]1CN(C)Cc1ccccc1Br ZINC000111734785 328378007 /nfs/dbraw/zinc/37/80/07/328378007.db2.gz UGBBZSCKDKOUPH-ZYHUDNBSSA-N 0 1 268.198 3.537 20 0 CHADMN C[C@@H](CCc1ccccc1)N1CCOC2(CCCC2)C1 ZINC000531988442 328382232 /nfs/dbraw/zinc/38/22/32/328382232.db2.gz BFTRXZGGOSUDRQ-INIZCTEOSA-N 0 1 273.420 3.653 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(OC)c(O)c2)s1 ZINC000535077942 328382416 /nfs/dbraw/zinc/38/24/16/328382416.db2.gz AEBRMRNGNODRSS-UHFFFAOYSA-N 0 1 291.416 3.657 20 0 CHADMN FC(F)(F)Oc1ccccc1CN1C2CCC1CC2 ZINC000535067114 328383054 /nfs/dbraw/zinc/38/30/54/328383054.db2.gz DASNXWWUPUENLT-UHFFFAOYSA-N 0 1 271.282 3.712 20 0 CHADMN C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000535069187 328383536 /nfs/dbraw/zinc/38/35/36/328383536.db2.gz ASVFZJXBHRXFAX-LBPRGKRZSA-N 0 1 283.350 3.895 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)Cc1ccc2[nH]cnc2c1 ZINC000535069187 328383541 /nfs/dbraw/zinc/38/35/41/328383541.db2.gz ASVFZJXBHRXFAX-LBPRGKRZSA-N 0 1 283.350 3.895 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)Cc1ccc2nc[nH]c2c1 ZINC000535069187 328383542 /nfs/dbraw/zinc/38/35/42/328383542.db2.gz ASVFZJXBHRXFAX-LBPRGKRZSA-N 0 1 283.350 3.895 20 0 CHADMN CC[C@H](NCc1ccccc1CO)c1cc(F)ccc1F ZINC000305147146 328393123 /nfs/dbraw/zinc/39/31/23/328393123.db2.gz SBMZMIDWGBOAMC-KRWDZBQOSA-N 0 1 291.341 3.698 20 0 CHADMN C[C@H](O)[C@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000305155263 328394408 /nfs/dbraw/zinc/39/44/08/328394408.db2.gz BYOOPNNZMBUXLE-QWRGUYRKSA-N 0 1 288.218 3.586 20 0 CHADMN Cc1ccc([C@H]2CCC[C@H]2N(C)Cc2nccc(C)n2)cc1 ZINC000535207862 328395952 /nfs/dbraw/zinc/39/59/52/328395952.db2.gz SSFQZMCMYGNCNP-QZTJIDSGSA-N 0 1 295.430 3.862 20 0 CHADMN COC(=O)c1cnc([C@H](C)NCC2(C)CCCCC2)s1 ZINC000314609704 328431512 /nfs/dbraw/zinc/43/15/12/328431512.db2.gz DYNFDVVXBRJDBR-NSHDSACASA-N 0 1 296.436 3.551 20 0 CHADMN Cn1ccc(CN[C@@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000343186980 328432955 /nfs/dbraw/zinc/43/29/55/328432955.db2.gz ZMJBLOUYNVPDCF-GFCCVEGCSA-N 0 1 297.185 3.555 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccncc1F)CC2 ZINC000334503217 328488846 /nfs/dbraw/zinc/48/88/46/328488846.db2.gz LWINQJHGLXKVTK-SJCJKPOMSA-N 0 1 270.351 3.867 20 0 CHADMN CC[N@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)CC(C)C ZINC000575322539 335093526 /nfs/dbraw/zinc/09/35/26/335093526.db2.gz KQOONVUAMIUGHW-UHFFFAOYSA-N 0 1 269.772 3.516 20 0 CHADMN CCO[C@@H](CCN[C@H](C)c1cscn1)C1CCCC1 ZINC000536625696 328670047 /nfs/dbraw/zinc/67/00/47/328670047.db2.gz MONFGOOEWXMWFY-DOMZBBRYSA-N 0 1 282.453 3.779 20 0 CHADMN C[C@@H](NCCOCC(F)(F)F)c1ccc(F)cc1Cl ZINC000108942829 326810440 /nfs/dbraw/zinc/81/04/40/326810440.db2.gz GCVHLWXRQYMIJY-MRVPVSSYSA-N 0 1 299.695 3.709 20 0 CHADMN CCC(CC)[C@H](NCc1ncc[nH]1)c1cccs1 ZINC000067696449 326900261 /nfs/dbraw/zinc/90/02/61/326900261.db2.gz NFCVDNVJHDUNFP-AWEZNQCLSA-N 0 1 263.410 3.738 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnccn1)c1ccc(Cl)cc1 ZINC000070478328 326917041 /nfs/dbraw/zinc/91/70/41/326917041.db2.gz RMTDIWDDLYYWSD-SMDDNHRTSA-N 0 1 275.783 3.932 20 0 CHADMN C[C@H](NCCOc1cccc(F)c1)c1c(F)cccc1F ZINC000538126887 326924340 /nfs/dbraw/zinc/92/43/40/326924340.db2.gz RWTIGGVBSTZUGN-NSHDSACASA-N 0 1 295.304 3.834 20 0 CHADMN CC(C)(C)[C@H]1C[C@H](Nc2cc3c(cn2)CCC3)CS1 ZINC000556958595 326985723 /nfs/dbraw/zinc/98/57/23/326985723.db2.gz HXXPPLFGBFKTJD-UONOGXRCSA-N 0 1 276.449 3.902 20 0 CHADMN C/C(=C/c1ccccc1)CNCc1nc(C)c(C)s1 ZINC000255678969 327004278 /nfs/dbraw/zinc/00/42/78/327004278.db2.gz UCYVHGLYSYJONA-XFXZXTDPSA-N 0 1 272.417 3.953 20 0 CHADMN CO[C@@H](CNCc1csc(Cl)c1Cl)C1CC1 ZINC000339527439 327013014 /nfs/dbraw/zinc/01/30/14/327013014.db2.gz JNEPIUMJXLUPDI-VIFPVBQESA-N 0 1 280.220 3.570 20 0 CHADMN CCOc1cccc([C@H](C)NCc2ccc(Cl)cn2)c1 ZINC000557792142 327027232 /nfs/dbraw/zinc/02/72/32/327027232.db2.gz NBWRMMRSBDFXBT-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN Cc1cccc(C(C)(C)NCc2nc3ccccc3[nH]2)c1 ZINC000557808629 327028343 /nfs/dbraw/zinc/02/83/43/327028343.db2.gz KIQQBKJFKFUADO-UHFFFAOYSA-N 0 1 279.387 3.896 20 0 CHADMN CCn1cncc1CN[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000090171253 327031616 /nfs/dbraw/zinc/03/16/16/327031616.db2.gz KLZUONXGOAIJDI-NSHDSACASA-N 0 1 297.324 3.773 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](CC2CC2)C2CCCCC2)s1 ZINC000584236938 327073118 /nfs/dbraw/zinc/07/31/18/327073118.db2.gz DGNVHJFOBSZUHR-UHFFFAOYSA-N 0 1 293.432 3.991 20 0 CHADMN CCCCOCCN1CC(C)(C)[C@@H]1c1cccs1 ZINC000558175058 327077005 /nfs/dbraw/zinc/07/70/05/327077005.db2.gz GNNGXVONYQMKLQ-AWEZNQCLSA-N 0 1 267.438 3.948 20 0 CHADMN COc1cc([C@@H](C)N[C@H](C)c2ccc(C)cc2)c(F)cn1 ZINC000558224980 327079864 /nfs/dbraw/zinc/07/98/64/327079864.db2.gz BBTHFNXAGOAHRV-CHWSQXEVSA-N 0 1 288.366 3.950 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCC[C@H]2C2CCCC2)cs1 ZINC000565897112 327084335 /nfs/dbraw/zinc/08/43/35/327084335.db2.gz DOSLAPHOQMDGGY-ZDUSSCGKSA-N 0 1 279.405 3.601 20 0 CHADMN CCO[C@H]1C[C@H](Nc2ccc3c(c2)nc(C)n3C)C12CCC2 ZINC000558291036 327085624 /nfs/dbraw/zinc/08/56/24/327085624.db2.gz DMYKIEAANFICBA-IRXDYDNUSA-N 0 1 299.418 3.641 20 0 CHADMN CN(C(=O)c1cnc(-c2ccccc2)[nH]1)C1CCCCCC1 ZINC000558310585 327086592 /nfs/dbraw/zinc/08/65/92/327086592.db2.gz YMBQHTSGPXBDEZ-UHFFFAOYSA-N 0 1 297.402 3.872 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1ccccc1F)CC2 ZINC000092835406 327104118 /nfs/dbraw/zinc/10/41/18/327104118.db2.gz LPVIDOWLOVLZFA-KRWDZBQOSA-N 0 1 271.335 3.611 20 0 CHADMN CC(C)(CNCc1nccn1-c1ccccc1)C(F)(F)F ZINC000558680714 327113832 /nfs/dbraw/zinc/11/38/32/327113832.db2.gz FNTSFBNVQJGBNV-UHFFFAOYSA-N 0 1 297.324 3.550 20 0 CHADMN CC1(C)CCC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000566014971 327116262 /nfs/dbraw/zinc/11/62/62/327116262.db2.gz BWLBGGIZYREISY-ZDUSSCGKSA-N 0 1 281.783 3.588 20 0 CHADMN Cc1ccc(F)c(CN(C)CCSC(C)C)c1 ZINC000558734310 327118132 /nfs/dbraw/zinc/11/81/32/327118132.db2.gz LTBPZMXXRSWCKB-UHFFFAOYSA-N 0 1 255.402 3.708 20 0 CHADMN COc1cc(F)cc(CN[C@@H](C)c2cccc(F)c2)c1 ZINC000093899441 327146091 /nfs/dbraw/zinc/14/60/91/327146091.db2.gz BKQFZKCYGAJEIS-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000564463189 327148096 /nfs/dbraw/zinc/14/80/96/327148096.db2.gz QSJHZXZHNHSOIO-MNOVXSKESA-N 0 1 281.783 3.659 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@@H]1CSC[C@H]1C ZINC000569394083 327172039 /nfs/dbraw/zinc/17/20/39/327172039.db2.gz FFKCKLHKHJUNSJ-YMTOWFKASA-N 0 1 292.379 3.546 20 0 CHADMN CCc1nnc(CNCC[C@@H](C)CCC=C(C)C)s1 ZINC000569399617 327172126 /nfs/dbraw/zinc/17/21/26/327172126.db2.gz YIHAHNWNLGECER-ZDUSSCGKSA-N 0 1 281.469 3.963 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000518547070 327173399 /nfs/dbraw/zinc/17/33/99/327173399.db2.gz UZRTVKDUBHDOAF-AAEUAGOBSA-N 0 1 281.421 3.847 20 0 CHADMN CCCn1cc(CN(C)Cc2cc(C)cc(C)c2)cn1 ZINC000569432702 327176201 /nfs/dbraw/zinc/17/62/01/327176201.db2.gz SOEPKWWKBAHGER-UHFFFAOYSA-N 0 1 271.408 3.542 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCCC(CC)(CC)CC1 ZINC000569462834 327182005 /nfs/dbraw/zinc/18/20/05/327182005.db2.gz ISBSYVMJBTXUBJ-ZDUSSCGKSA-N 0 1 255.402 3.532 20 0 CHADMN c1cc([C@H]2CN(CC3Cc4ccccc4C3)CCO2)cs1 ZINC000569516033 327188304 /nfs/dbraw/zinc/18/83/04/327188304.db2.gz XKLKXYCKUSOAIE-GOSISDBHSA-N 0 1 299.439 3.536 20 0 CHADMN Clc1ccc(CN(Cc2cnc[nH]2)C2CC2)cc1Cl ZINC000092190720 327189379 /nfs/dbraw/zinc/18/93/79/327189379.db2.gz LNKBCOLPYKJLDZ-UHFFFAOYSA-N 0 1 296.201 3.881 20 0 CHADMN Cc1ccsc1[C@@H](C)NCc1c(C)noc1C ZINC000092328872 327192354 /nfs/dbraw/zinc/19/23/54/327192354.db2.gz NKLUMZQLAZCSOO-SNVBAGLBSA-N 0 1 250.367 3.512 20 0 CHADMN CC[C@@H](NCc1cccnc1)c1cc(C)ccc1OC ZINC000093368535 327197938 /nfs/dbraw/zinc/19/79/38/327197938.db2.gz WFKGICSRWUJHLN-MRXNPFEDSA-N 0 1 270.376 3.640 20 0 CHADMN F[C@@H]1CCC[C@H](NCc2ncc(C(F)(F)F)s2)C1 ZINC000566217511 327199134 /nfs/dbraw/zinc/19/91/34/327199134.db2.gz RKJBEWCWBPMRBS-SFYZADRCSA-N 0 1 282.306 3.532 20 0 CHADMN C[C@@H](N[C@@H]1CC2CCC1CC2)c1nc(C(C)(C)C)no1 ZINC000584268856 327205054 /nfs/dbraw/zinc/20/50/54/327205054.db2.gz HNSFCKRNGZBUKM-IKWCTNDRSA-N 0 1 277.412 3.596 20 0 CHADMN Cc1cccc(C2=CC[N@@H+](Cc3occc3C(=O)[O-])CC2)c1 ZINC000569611389 327211256 /nfs/dbraw/zinc/21/12/56/327211256.db2.gz FUAAIMONJRRZRB-UHFFFAOYSA-N 0 1 297.354 3.576 20 0 CHADMN COc1cc(OC)cc(-c2nc3ccc(C)cc3[nH]2)c1 ZINC000041066097 327216401 /nfs/dbraw/zinc/21/64/01/327216401.db2.gz CGFAHVISOIJZEH-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN CCCCC[N@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000584303241 327231509 /nfs/dbraw/zinc/23/15/09/327231509.db2.gz KMLSSOXVESXRBD-CABCVRRESA-N 0 1 267.413 3.532 20 0 CHADMN CC[N@@H+](Cc1ccc(F)c(Br)c1)C1CC1 ZINC000042340452 327237625 /nfs/dbraw/zinc/23/76/25/327237625.db2.gz PFESIJLZPOXJBI-UHFFFAOYSA-N 0 1 272.161 3.573 20 0 CHADMN CCCCc1noc([C@@H](C)N2CC[C@@H](CC3CC3)C2)n1 ZINC000559411720 327244134 /nfs/dbraw/zinc/24/41/34/327244134.db2.gz VZSCBQXVTBHONQ-OCCSQVGLSA-N 0 1 277.412 3.595 20 0 CHADMN C[C@H](NCc1ccc(F)c(Cl)c1)c1ccoc1 ZINC000094869262 327251460 /nfs/dbraw/zinc/25/14/60/327251460.db2.gz FNQYCZDQEDGQST-VIFPVBQESA-N 0 1 253.704 3.923 20 0 CHADMN CC(C)[C@@H]1CCCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000559666911 327257384 /nfs/dbraw/zinc/25/73/84/327257384.db2.gz SHLFTALYHMXSRW-INIZCTEOSA-N 0 1 289.423 3.718 20 0 CHADMN Cc1ncsc1C[N@H+](C)[C@H]1C=CCCCCC1 ZINC000559796795 327262183 /nfs/dbraw/zinc/26/21/83/327262183.db2.gz XPYGJEBEYQWTFK-ZDUSSCGKSA-N 0 1 250.411 3.772 20 0 CHADMN COC[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccc(Cl)cc1 ZINC000559917113 327270827 /nfs/dbraw/zinc/27/08/27/327270827.db2.gz UMZUAKCITGWOTD-BFHYXJOUSA-N 0 1 271.763 3.508 20 0 CHADMN CO[C@H]1CCN(Cc2cscc2C(F)(F)F)C[C@H]1C ZINC000449492750 327276499 /nfs/dbraw/zinc/27/64/99/327276499.db2.gz CPUVMSFJFVALFF-SKDRFNHKSA-N 0 1 293.354 3.624 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000578012751 327294415 /nfs/dbraw/zinc/29/44/15/327294415.db2.gz WYZSKJHTGGQXPG-IJEWVQPXSA-N 0 1 281.440 3.636 20 0 CHADMN c1csc([C@@H](NCc2nc3ccccc3[nH]2)C2CC2)c1 ZINC000049956685 327299192 /nfs/dbraw/zinc/29/91/92/327299192.db2.gz AXQBLUAFXFDNGS-INIZCTEOSA-N 0 1 283.400 3.865 20 0 CHADMN C[C@H](NC[C@H]1CCC2(CCCC2)O1)c1c(F)cncc1F ZINC000560506338 327316530 /nfs/dbraw/zinc/31/65/30/327316530.db2.gz LMYITUPNUYQDHE-NWDGAFQWSA-N 0 1 296.361 3.502 20 0 CHADMN Cc1noc([C@@H]2CCCCN2CCCc2ccccc2C)n1 ZINC000560540622 327321564 /nfs/dbraw/zinc/32/15/64/327321564.db2.gz RZLVSDIPZLQIPG-KRWDZBQOSA-N 0 1 299.418 3.846 20 0 CHADMN Cc1ccc(CN2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000560551962 327323792 /nfs/dbraw/zinc/32/37/92/327323792.db2.gz UHZHBSHKGMMKRV-KRWDZBQOSA-N 0 1 266.388 3.973 20 0 CHADMN COC[C@H]1CCN1Cc1ccc(-c2ccccc2)cc1OC ZINC000560563413 327325808 /nfs/dbraw/zinc/32/58/08/327325808.db2.gz MYTXPAFVYJZSIJ-GOSISDBHSA-N 0 1 297.398 3.583 20 0 CHADMN COC[C@@H](NCc1cc2ccccc2o1)c1ccccc1 ZINC000560634883 327332906 /nfs/dbraw/zinc/33/29/06/327332906.db2.gz POEDIHUIKHSDPK-QGZVFWFLSA-N 0 1 281.355 3.910 20 0 CHADMN CC(C)C[C@@H](C)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000560708952 327337592 /nfs/dbraw/zinc/33/75/92/327337592.db2.gz UDCSAHLIXZGIPH-CZUORRHYSA-N 0 1 265.372 3.634 20 0 CHADMN NC1(c2noc(-c3cc(F)ccc3Cl)n2)CCCCC1 ZINC000261800588 327342944 /nfs/dbraw/zinc/34/29/44/327342944.db2.gz RHPSXYZULXTFFS-UHFFFAOYSA-N 0 1 295.745 3.647 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2nc(C(=O)[O-])cs2)CC1 ZINC000578541068 327343666 /nfs/dbraw/zinc/34/36/66/327343666.db2.gz XBVONFIKAJAJBN-UHFFFAOYSA-N 0 1 296.436 3.634 20 0 CHADMN CN(C)[C@@H](CNC(=O)C(C)(C)C(C)(C)C)c1cccs1 ZINC000561069192 327362838 /nfs/dbraw/zinc/36/28/38/327362838.db2.gz JHRDAWPGIAZSOJ-LBPRGKRZSA-N 0 1 296.480 3.539 20 0 CHADMN CC[N@@H+](Cc1cccc(Cl)c1)[C@@H](CC(C)C)C(=O)[O-] ZINC000583446243 327371041 /nfs/dbraw/zinc/37/10/41/327371041.db2.gz VNTBQSHIBWWOGX-AWEZNQCLSA-N 0 1 283.799 3.661 20 0 CHADMN CC(C)[C@@H](NCc1cccn1C)c1ccc(F)cc1F ZINC000150880106 327394308 /nfs/dbraw/zinc/39/43/08/327394308.db2.gz WIOLOEOQZGTRKE-MRXNPFEDSA-N 0 1 278.346 3.790 20 0 CHADMN CCC[C@@H](NCc1cccn1C)c1ccc(F)cc1F ZINC000150934858 327400648 /nfs/dbraw/zinc/40/06/48/327400648.db2.gz RHTPAYNMRXGJIJ-MRXNPFEDSA-N 0 1 278.346 3.934 20 0 CHADMN Cc1ccc(-c2nnc([C@H](C)N[C@@H]3CCC3(C)C)o2)cc1 ZINC000562293687 327464765 /nfs/dbraw/zinc/46/47/65/327464765.db2.gz JZDASERLJAWUJI-GXTWGEPZSA-N 0 1 285.391 3.884 20 0 CHADMN CCCc1nc(C)c(CNCc2ccc3ncccc3c2)o1 ZINC000562360851 327475042 /nfs/dbraw/zinc/47/50/42/327475042.db2.gz TYVZJFXIEXUZJJ-UHFFFAOYSA-N 0 1 295.386 3.774 20 0 CHADMN CCS[C@@H](C)c1noc(CN[C@H]2CC3CCC2CC3)n1 ZINC000562414267 327479701 /nfs/dbraw/zinc/47/97/01/327479701.db2.gz PKDSRQHSBXTKBT-WTIISPKJSA-N 0 1 295.452 3.552 20 0 CHADMN Cc1noc([C@H](C)N[C@H]2CCC[C@H]2c2ccc(C)cc2)n1 ZINC000569758998 327545306 /nfs/dbraw/zinc/54/53/06/327545306.db2.gz NCBZWKAQOYUWOZ-RCBQFDQVSA-N 0 1 285.391 3.673 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H]2[C@H](C)CCC[C@@H]2C)no1 ZINC000570435645 327591085 /nfs/dbraw/zinc/59/10/85/327591085.db2.gz ZLWVOZMOJPSPCS-HALDLXJZSA-N 0 1 299.418 3.959 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@@H]1CCc2c1cccc2O ZINC000507508165 332810558 /nfs/dbraw/zinc/81/05/58/332810558.db2.gz ISRZYCOQTZOMGY-BLLLJJGKSA-N 0 1 282.387 3.688 20 0 CHADMN COc1cccc(NC2CCN(C/C=C(\C)Cl)CC2)c1 ZINC000528392574 328666091 /nfs/dbraw/zinc/66/60/91/328666091.db2.gz FEWRJNMYOWSRAQ-AWNIVKPZSA-N 0 1 294.826 3.714 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@H]2CCc3ccc(F)cc32)cn1 ZINC000532229018 328709000 /nfs/dbraw/zinc/70/90/00/328709000.db2.gz WLAZQFRNHWZXGW-PXAZEXFGSA-N 0 1 287.382 3.941 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@@H]2CCc3ccc(F)cc32)cn1 ZINC000532229026 328709114 /nfs/dbraw/zinc/70/91/14/328709114.db2.gz WLAZQFRNHWZXGW-SJKOYZFVSA-N 0 1 287.382 3.941 20 0 CHADMN Cc1cc(C(=O)Nc2cccc(Cl)c2O)oc1C ZINC000532628826 328799899 /nfs/dbraw/zinc/79/98/99/328799899.db2.gz SHGFBXUKTHVRGA-UHFFFAOYSA-N 0 1 265.696 3.508 20 0 CHADMN CC(C)CCOc1ccccc1CNCC1(F)CC1 ZINC000526978368 328818509 /nfs/dbraw/zinc/81/85/09/328818509.db2.gz APEVFCFOUTYJRK-UHFFFAOYSA-N 0 1 265.372 3.703 20 0 CHADMN CCc1cnc(CN[C@H]2CCC[C@H]2c2ccccc2)o1 ZINC000527078471 328824464 /nfs/dbraw/zinc/82/44/64/328824464.db2.gz VBRAJKJAFDURCA-HOTGVXAUSA-N 0 1 270.376 3.663 20 0 CHADMN CC(C)Cn1ccnc1CNc1ccnc2cc(F)ccc21 ZINC000301775350 328829946 /nfs/dbraw/zinc/82/99/46/328829946.db2.gz QPOQIJNELYFKOA-UHFFFAOYSA-N 0 1 298.365 3.839 20 0 CHADMN Cc1ccsc1CN[C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000571678829 328843017 /nfs/dbraw/zinc/84/30/17/328843017.db2.gz ZDQMQZHGOYCFJT-MEBBXXQBSA-N 0 1 277.364 3.807 20 0 CHADMN COc1ccc(CCN[C@@H](C)c2cc(C)on2)c(Cl)c1 ZINC000353276982 328854439 /nfs/dbraw/zinc/85/44/39/328854439.db2.gz NWGJGXSSNQOTDY-NSHDSACASA-N 0 1 294.782 3.538 20 0 CHADMN COc1ccc([C@@H](C)NCc2cscc2C)cc1O ZINC000353592717 328855262 /nfs/dbraw/zinc/85/52/62/328855262.db2.gz BOZNBVWSOHZJOR-LLVKDONJSA-N 0 1 277.389 3.622 20 0 CHADMN C[C@@H](NC[C@H]1CC[C@@H](c2ccccc2)O1)c1nccs1 ZINC000368095946 328935226 /nfs/dbraw/zinc/93/52/26/328935226.db2.gz VAMXWESEZSEJIL-YUELXQCFSA-N 0 1 288.416 3.714 20 0 CHADMN Fc1cccc(-c2nc(CN3CCC4(CC4)CC3)co2)c1 ZINC000368426928 328938582 /nfs/dbraw/zinc/93/85/82/328938582.db2.gz YSCFDYGSBZRUHI-UHFFFAOYSA-N 0 1 286.350 3.857 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)NCc1ccnc(C)c1 ZINC000391203452 328978095 /nfs/dbraw/zinc/97/80/95/328978095.db2.gz SDLWZKSTIPGGNF-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN c1cc([C@H]2CCC[N@@H+](Cc3ccc4occc4c3)C2)[nH]n1 ZINC000377641919 329022616 /nfs/dbraw/zinc/02/26/16/329022616.db2.gz BBJOJVOINYXOGP-HNNXBMFYSA-N 0 1 281.359 3.536 20 0 CHADMN CN1Cc2ccccc2[C@H](NCc2ccc(Cl)s2)C1 ZINC000378268465 329044701 /nfs/dbraw/zinc/04/47/01/329044701.db2.gz FPCZEQACDQTKKO-CQSZACIVSA-N 0 1 292.835 3.678 20 0 CHADMN Cc1ccc(CNCc2cccc3c2OCO3)cc1Cl ZINC000193734894 329061584 /nfs/dbraw/zinc/06/15/84/329061584.db2.gz YPSBWHRMUUXIAJ-UHFFFAOYSA-N 0 1 289.762 3.667 20 0 CHADMN CC(C)OCCNCc1c(Cl)oc2ccccc21 ZINC000168949221 329062457 /nfs/dbraw/zinc/06/24/57/329062457.db2.gz IEMSVDFIMJXTJE-UHFFFAOYSA-N 0 1 267.756 3.601 20 0 CHADMN C=Cn1cc(CN2C[C@@H](C)C[C@H]2c2cccc(F)c2)cn1 ZINC000193982888 329064531 /nfs/dbraw/zinc/06/45/31/329064531.db2.gz BFGYOWXKEQUWOI-GUYCJALGSA-N 0 1 285.366 3.706 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@@H+](C)CCc1cccnc1 ZINC000172074844 329081017 /nfs/dbraw/zinc/08/10/17/329081017.db2.gz JPSMFZLSNPHOMG-CYBMUJFWSA-N 0 1 274.795 3.971 20 0 CHADMN CC(C)[C@H](NCc1cnc[nH]1)c1ccccc1Cl ZINC000172037742 329083730 /nfs/dbraw/zinc/08/37/30/329083730.db2.gz XILNHNQQXDQPDT-AWEZNQCLSA-N 0 1 263.772 3.550 20 0 CHADMN C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)c1ccncc1 ZINC000020121129 329086964 /nfs/dbraw/zinc/08/69/64/329086964.db2.gz JTUYBCHNCLXECX-SLEUVZQESA-N 0 1 256.349 3.649 20 0 CHADMN CC1(C)CCC[C@H](C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1 ZINC000582533914 329108240 /nfs/dbraw/zinc/10/82/40/329108240.db2.gz IALFFNUNVKPYED-VGWMRTNUSA-N 0 1 293.451 3.921 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1ccc2c(n1)CCC2 ZINC000582591731 329113337 /nfs/dbraw/zinc/11/33/37/329113337.db2.gz ICHVZYHBZHABAM-SFHVURJKSA-N 0 1 281.403 3.548 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cncnc2C)c(OC(C)C)c1 ZINC000582676063 329123939 /nfs/dbraw/zinc/12/39/39/329123939.db2.gz CLNZJCXDEKKKBZ-CQSZACIVSA-N 0 1 299.418 3.731 20 0 CHADMN Clc1cccc(NCc2ccc3nc[nH]c3c2)c1 ZINC000532897600 329139818 /nfs/dbraw/zinc/13/98/18/329139818.db2.gz SLBYJODLZIQOSL-UHFFFAOYSA-N 0 1 257.724 3.828 20 0 CHADMN Cc1csc(CN2CCC(c3ccccc3)CC2)n1 ZINC000173184937 329143111 /nfs/dbraw/zinc/14/31/11/329143111.db2.gz ICDZNJUEOUKQGJ-UHFFFAOYSA-N 0 1 272.417 3.831 20 0 CHADMN COc1cc(C[N@@H+](C)CCC2CC2)c(SC)cc1OC ZINC000173792611 329152346 /nfs/dbraw/zinc/15/23/46/329152346.db2.gz WBSHMFBZQMAHMH-UHFFFAOYSA-N 0 1 295.448 3.658 20 0 CHADMN C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccncc1Cl ZINC000174816882 329161638 /nfs/dbraw/zinc/16/16/38/329161638.db2.gz DKDAHQLYQWKROD-BXUZGUMPSA-N 0 1 252.789 3.746 20 0 CHADMN C[C@@H]1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)[C@@H]1C ZINC000177885351 329193906 /nfs/dbraw/zinc/19/39/06/329193906.db2.gz UVPMKDOHXFRBHX-GHMZBOCLSA-N 0 1 291.782 3.620 20 0 CHADMN Cc1ccc2nc(CNC(=O)C3CCC(C)(C)CC3)[nH]c2c1 ZINC000178116101 329196231 /nfs/dbraw/zinc/19/62/31/329196231.db2.gz CUEIZHORCPXVQE-UHFFFAOYSA-N 0 1 299.418 3.704 20 0 CHADMN CCOc1ccc2c(c1)[C@H](NCc1ccccc1)CCO2 ZINC000178142973 329196764 /nfs/dbraw/zinc/19/67/64/329196764.db2.gz WAXUMAYQSICEGV-QGZVFWFLSA-N 0 1 283.371 3.699 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccco1)c1ccc(-n2cccn2)cc1 ZINC000178368967 329199185 /nfs/dbraw/zinc/19/91/85/329199185.db2.gz YHVZXLBAAMPJOY-KGLIPLIRSA-N 0 1 281.359 3.877 20 0 CHADMN CC[C@@H](N[C@H](C)c1cn(C)nc1C)c1cc(F)ccc1F ZINC000178717104 329199903 /nfs/dbraw/zinc/19/99/03/329199903.db2.gz OUVFUYSFNJZJSL-QLJPJBMISA-N 0 1 293.361 3.809 20 0 CHADMN C[C@@H](NCc1ccc(CO)c(F)c1)c1cc2ccccc2o1 ZINC000178567759 329200480 /nfs/dbraw/zinc/20/04/80/329200480.db2.gz VVSVEKPSGMLELZ-GFCCVEGCSA-N 0 1 299.345 3.915 20 0 CHADMN C[C@H](NCc1ccc(CO)c(F)c1)c1cc2ccccc2o1 ZINC000178567751 329200550 /nfs/dbraw/zinc/20/05/50/329200550.db2.gz VVSVEKPSGMLELZ-LBPRGKRZSA-N 0 1 299.345 3.915 20 0 CHADMN CCC(C)(C)[C@H]1CCCN1Cc1nccn1C(F)F ZINC000178905448 329203018 /nfs/dbraw/zinc/20/30/18/329203018.db2.gz ZOEBDIWXBGJETF-LLVKDONJSA-N 0 1 271.355 3.679 20 0 CHADMN CO[C@H]1CCCN(Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180422625 329216319 /nfs/dbraw/zinc/21/63/19/329216319.db2.gz AFXPIAGRBSJBSC-HNNXBMFYSA-N 0 1 287.359 3.683 20 0 CHADMN Cc1cnc(C[N@H+]2CCC[C@@H]2C2CCCC2)s1 ZINC000180443389 329217420 /nfs/dbraw/zinc/21/74/20/329217420.db2.gz VMCFIXWZFQFGPV-CYBMUJFWSA-N 0 1 250.411 3.606 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccsc2)c(F)c1 ZINC000222284443 329222186 /nfs/dbraw/zinc/22/21/86/329222186.db2.gz CTYPUFGBHXMSIF-JTQLQIEISA-N 0 1 265.353 3.747 20 0 CHADMN CC[C@H]1CCCN(Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181350181 329231988 /nfs/dbraw/zinc/23/19/88/329231988.db2.gz MFZHSTNNXUTIIW-ZDUSSCGKSA-N 0 1 288.439 3.503 20 0 CHADMN Cc1oncc1CN1CCCCC[C@H]1c1ccco1 ZINC000181711148 329236074 /nfs/dbraw/zinc/23/60/74/329236074.db2.gz GYTSKVWAGZNZAM-AWEZNQCLSA-N 0 1 260.337 3.693 20 0 CHADMN Clc1ccc(CN[C@@H]2COCc3ccccc32)s1 ZINC000226000839 329256452 /nfs/dbraw/zinc/25/64/52/329256452.db2.gz HKWHFGJYUWMXMR-CYBMUJFWSA-N 0 1 279.792 3.763 20 0 CHADMN Cc1[nH]ncc1CNc1cc(F)c(Br)cc1C ZINC000184151942 329256988 /nfs/dbraw/zinc/25/69/88/329256988.db2.gz VDKXQNJMNUTCGA-UHFFFAOYSA-N 0 1 298.159 3.540 20 0 CHADMN CC(C)O[C@@H]1C[C@@H](NCc2nc(C3CC3)cs2)C1(C)C ZINC000185245686 329269468 /nfs/dbraw/zinc/26/94/68/329269468.db2.gz YCRHRYROVQGLGT-ZIAGYGMSSA-N 0 1 294.464 3.702 20 0 CHADMN Cc1c(C[N@@H+](C)[C@H]2CCc3ccc(Cl)cc32)cnn1C ZINC000582825224 329272509 /nfs/dbraw/zinc/27/25/09/329272509.db2.gz BLIPGMQYQFFKDD-INIZCTEOSA-N 0 1 289.810 3.501 20 0 CHADMN Cc1c(CN(C)[C@H]2CCc3ccc(Cl)cc32)cnn1C ZINC000582825224 329272510 /nfs/dbraw/zinc/27/25/10/329272510.db2.gz BLIPGMQYQFFKDD-INIZCTEOSA-N 0 1 289.810 3.501 20 0 CHADMN Cc1cc(Cl)cc(CNCc2cccc(C)n2)c1 ZINC000395180198 329278644 /nfs/dbraw/zinc/27/86/44/329278644.db2.gz DWLBXYWTHLYXOR-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN C[C@@H]1CCC[N@H+]1[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000582909897 329287003 /nfs/dbraw/zinc/28/70/03/329287003.db2.gz ZPFWUNOLYVDLRW-PRHODGIISA-N 0 1 288.174 3.603 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccsc2C(=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000582908861 329287031 /nfs/dbraw/zinc/28/70/31/329287031.db2.gz AHUVFNQAMXQITN-MRVWCRGKSA-N 0 1 293.432 3.847 20 0 CHADMN Cc1nsc(C)c1CN1CC[C@@H]1c1ccccc1 ZINC000582913054 329287802 /nfs/dbraw/zinc/28/78/02/329287802.db2.gz RLUFLXJLOZMFIW-OAHLLOKOSA-N 0 1 258.390 3.707 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@@H](C)c1cncnc1C ZINC000582914477 329288224 /nfs/dbraw/zinc/28/82/24/329288224.db2.gz GRDAKKIUAAYTOC-STQMWFEESA-N 0 1 287.432 3.919 20 0 CHADMN CC(C)N(Cc1cccc(Cl)c1)Cc1cnccn1 ZINC000582950086 329292887 /nfs/dbraw/zinc/29/28/87/329292887.db2.gz JQPIISWLCTZKSC-UHFFFAOYSA-N 0 1 275.783 3.541 20 0 CHADMN Cc1nccc(N2CCC(C3CCOCC3)CC2)c1Cl ZINC000582983542 329294172 /nfs/dbraw/zinc/29/41/72/329294172.db2.gz JRLWUKIHDBZDMW-UHFFFAOYSA-N 0 1 294.826 3.686 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)[C@H]1C ZINC000582970295 329296268 /nfs/dbraw/zinc/29/62/68/329296268.db2.gz MLJZPOYBIHMAER-MNOVXSKESA-N 0 1 281.783 3.659 20 0 CHADMN Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cccc3ccccc32)[nH]1 ZINC000392459694 329341585 /nfs/dbraw/zinc/34/15/85/329341585.db2.gz MCXQALWFFBXECQ-VXGBXAGGSA-N 0 1 280.375 3.678 20 0 CHADMN Cc1noc(C)c1CNC[C@@H](c1ccccc1)C(F)(F)F ZINC000186441203 329342806 /nfs/dbraw/zinc/34/28/06/329342806.db2.gz LYEXVXTYRYAHIB-AWEZNQCLSA-N 0 1 298.308 3.727 20 0 CHADMN COc1cc(CN2CCCC3(CC3)C2)cc(Cl)c1OC ZINC000186617982 329346663 /nfs/dbraw/zinc/34/66/63/329346663.db2.gz DIQFYDPZCXEXHF-UHFFFAOYSA-N 0 1 295.810 3.733 20 0 CHADMN Cc1cccc(C(C)C)c1NCc1n[nH]c(C2CC2)n1 ZINC000187406034 329357339 /nfs/dbraw/zinc/35/73/39/329357339.db2.gz RZZZPXODOFTIBP-UHFFFAOYSA-N 0 1 270.380 3.726 20 0 CHADMN Cn1ccnc1[C@@H](NCc1ccc(C(F)F)cc1)C1CC1 ZINC000187784092 329360736 /nfs/dbraw/zinc/36/07/36/329360736.db2.gz GJXZLIXMDAINJQ-AWEZNQCLSA-N 0 1 291.345 3.599 20 0 CHADMN CCOC[C@@H](N[C@H](C)c1csc(C(C)C)n1)C(C)C ZINC000189350962 329380101 /nfs/dbraw/zinc/38/01/01/329380101.db2.gz OFSHFRGDABYHGY-CHWSQXEVSA-N 0 1 284.469 3.978 20 0 CHADMN Cc1cccc2c1OCC[C@H]2N[C@@H](C)c1ccoc1 ZINC000189377611 329380347 /nfs/dbraw/zinc/38/03/47/329380347.db2.gz NZEJVVBFRQGTES-SWLSCSKDSA-N 0 1 257.333 3.762 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2CCOc3c(C)cccc32)s1 ZINC000189378672 329380717 /nfs/dbraw/zinc/38/07/17/329380717.db2.gz JBFUMHURYBCLIK-SMDDNHRTSA-N 0 1 288.416 3.934 20 0 CHADMN Cc1cnc(CN[C@H]2CCC[C@@H]2CCC(C)C)o1 ZINC000190983980 329404107 /nfs/dbraw/zinc/40/41/07/329404107.db2.gz MKPNWPMIUYJHIZ-KGLIPLIRSA-N 0 1 250.386 3.678 20 0 CHADMN Cc1cnc(CN[C@@H]2CCC[C@H]2CCC(C)C)o1 ZINC000190983994 329404134 /nfs/dbraw/zinc/40/41/34/329404134.db2.gz MKPNWPMIUYJHIZ-UONOGXRCSA-N 0 1 250.386 3.678 20 0 CHADMN C[C@H](NCc1cc(F)cc2cccnc21)c1ccccn1 ZINC000193106298 329437597 /nfs/dbraw/zinc/43/75/97/329437597.db2.gz MVLJDLBEXNYDLS-LBPRGKRZSA-N 0 1 281.334 3.620 20 0 CHADMN COCc1ccccc1CNCc1sccc1Cl ZINC000192992516 329437965 /nfs/dbraw/zinc/43/79/65/329437965.db2.gz MUNFKYRSFDPPQM-UHFFFAOYSA-N 0 1 281.808 3.838 20 0 CHADMN CC(C)C[C@H]1OCCC[C@@H]1NCc1cc(C(C)(C)C)on1 ZINC000583721698 329454662 /nfs/dbraw/zinc/45/46/62/329454662.db2.gz KOINMOMUDZEXAK-LSDHHAIUSA-N 0 1 294.439 3.655 20 0 CHADMN COc1cc(CN[C@H](C)c2ccco2)c2ccccc2n1 ZINC000124941111 329575390 /nfs/dbraw/zinc/57/53/90/329575390.db2.gz QKLWPNYTGWDVSM-GFCCVEGCSA-N 0 1 282.343 3.687 20 0 CHADMN C[C@@H](NCc1ccc(F)c(Cl)c1)c1ccncc1 ZINC000053150148 329661681 /nfs/dbraw/zinc/66/16/81/329661681.db2.gz UIPAMLOBMPCQSB-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN Cc1ccc(CNCc2cc(Cl)cc(Cl)c2)cn1 ZINC000058062586 329678453 /nfs/dbraw/zinc/67/84/53/329678453.db2.gz XVXFUPBLNYVURC-UHFFFAOYSA-N 0 1 281.186 3.987 20 0 CHADMN CC(C)N(C)c1ccccc1CN[C@@H](C)c1ccoc1 ZINC000527100412 329695431 /nfs/dbraw/zinc/69/54/31/329695431.db2.gz FQSCHBANPWCUHK-AWEZNQCLSA-N 0 1 272.392 3.975 20 0 CHADMN C[C@@H](Cc1noc(C23CCCN2CCC3)n1)c1ccccc1 ZINC000420487946 329768054 /nfs/dbraw/zinc/76/80/54/329768054.db2.gz VTOUHVXOLHURQY-AWEZNQCLSA-N 0 1 297.402 3.501 20 0 CHADMN C[C@@H](NC[C@H]1C[C@@H](O)C1)c1c(Cl)ccc(F)c1Cl ZINC000420956365 329791215 /nfs/dbraw/zinc/79/12/15/329791215.db2.gz ZKENLVFKJZAPQI-HLTSFMKQSA-N 0 1 292.181 3.554 20 0 CHADMN CC[C@H]1CN(Cc2ccc3ncccc3c2)C[C@H](CC)O1 ZINC000420955991 329791323 /nfs/dbraw/zinc/79/13/23/329791323.db2.gz MLNDTMRFMXTJBQ-IRXDYDNUSA-N 0 1 284.403 3.624 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)C[C@@H]1NCc1noc2c1CCCC2 ZINC000571722759 329913390 /nfs/dbraw/zinc/91/33/90/329913390.db2.gz PWQYYUURYVGQCM-XKQJLSEDSA-N 0 1 296.414 3.835 20 0 CHADMN Cc1ccc(NCc2nc(C(C)C)n3ccccc23)cn1 ZINC000571767664 329918575 /nfs/dbraw/zinc/91/85/75/329918575.db2.gz NYCQMIKNSHYWGG-UHFFFAOYSA-N 0 1 280.375 3.773 20 0 CHADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC000263061122 330041376 /nfs/dbraw/zinc/04/13/76/330041376.db2.gz MVHDEJAYADNXHW-SUMWQHHRSA-N 0 1 287.403 3.639 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)C1 ZINC000263176668 330047469 /nfs/dbraw/zinc/04/74/69/330047469.db2.gz SSMYGYRATQFMMC-OAGGEKHMSA-N 0 1 281.440 3.780 20 0 CHADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cc2ccccc2s1 ZINC000263346883 330052695 /nfs/dbraw/zinc/05/26/95/330052695.db2.gz OVQSVHXEQLJXCC-AAEUAGOBSA-N 0 1 289.400 3.586 20 0 CHADMN O=C([O-])c1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)c1 ZINC000263413879 330054889 /nfs/dbraw/zinc/05/48/89/330054889.db2.gz MMJHBFLINHMURW-INIZCTEOSA-N 0 1 297.354 3.705 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)c1 ZINC000263413879 330054891 /nfs/dbraw/zinc/05/48/91/330054891.db2.gz MMJHBFLINHMURW-INIZCTEOSA-N 0 1 297.354 3.705 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000263471862 330057189 /nfs/dbraw/zinc/05/71/89/330057189.db2.gz LPCRXEKZRSAJOK-KRWDZBQOSA-N 0 1 275.392 3.787 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000263490623 330057640 /nfs/dbraw/zinc/05/76/40/330057640.db2.gz ILBXARWLMOXZGW-ATIWLJMLSA-N 0 1 299.414 3.508 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1CCCCC1 ZINC000263492946 330057947 /nfs/dbraw/zinc/05/79/47/330057947.db2.gz RTBXOXVHTSXZPI-UHFFFAOYSA-N 0 1 275.392 3.928 20 0 CHADMN Cc1ccc(-c2ccc(C[N@H+](CC(=O)[O-])C(C)C)o2)cc1 ZINC000263524932 330058977 /nfs/dbraw/zinc/05/89/77/330058977.db2.gz SUEZDLCGFJWJPD-UHFFFAOYSA-N 0 1 287.359 3.550 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263581137 330059781 /nfs/dbraw/zinc/05/97/81/330059781.db2.gz WUBRDTQGRBVYKH-KBXCAEBGSA-N 0 1 295.382 3.763 20 0 CHADMN C[C@@H](c1cccc(F)c1)N1CCC(F)(F)[C@H](C)C1 ZINC000572412236 330067355 /nfs/dbraw/zinc/06/73/55/330067355.db2.gz XKQXJLZXFMIGSA-MNOVXSKESA-N 0 1 257.299 3.864 20 0 CHADMN Cc1nn(C)cc1CN[C@H](c1ccccc1Cl)C(C)C ZINC000162577543 330075406 /nfs/dbraw/zinc/07/54/06/330075406.db2.gz ITDLCMIIHQVATC-INIZCTEOSA-N 0 1 291.826 3.869 20 0 CHADMN CCOc1cccc(CN[C@@H](C)c2ccncc2Cl)c1 ZINC000421822285 330082826 /nfs/dbraw/zinc/08/28/26/330082826.db2.gz WQUGKIZLPLKQDN-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN C[C@H](NCCOC1CCCCC1)c1ccncc1Cl ZINC000421823870 330083136 /nfs/dbraw/zinc/08/31/36/330083136.db2.gz FQGQHKARHAYFMG-LBPRGKRZSA-N 0 1 282.815 3.735 20 0 CHADMN COc1cc(Cl)ccc1[C@H](C)NCCC(F)(F)F ZINC000421828687 330083965 /nfs/dbraw/zinc/08/39/65/330083965.db2.gz DVABFAZLSWLJGW-QMMMGPOBSA-N 0 1 281.705 3.952 20 0 CHADMN COc1cc(Cl)ccc1[C@@H](C)NCCC(F)(F)F ZINC000421828686 330084158 /nfs/dbraw/zinc/08/41/58/330084158.db2.gz DVABFAZLSWLJGW-MRVPVSSYSA-N 0 1 281.705 3.952 20 0 CHADMN O=C([O-])[C@@H]([NH2+]Cc1cccc(C2CC2)c1)c1ccsc1 ZINC000421814824 330085690 /nfs/dbraw/zinc/08/56/90/330085690.db2.gz KUEJQQDNQKQFMG-HNNXBMFYSA-N 0 1 287.384 3.541 20 0 CHADMN COc1cc(Cl)ccc1[C@@H](C)NCc1ccc(C)nc1 ZINC000421818440 330086246 /nfs/dbraw/zinc/08/62/46/330086246.db2.gz AVNOYDORMPGBFB-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@@H]1C[C@@H](Sc2nc3ccc(Cl)cc3[nH]2)CCO1 ZINC000421819536 330086591 /nfs/dbraw/zinc/08/65/91/330086591.db2.gz HPOCOBYLPZUSGR-SCZZXKLOSA-N 0 1 282.796 3.876 20 0 CHADMN CC(C)CC[C@@H](O)CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000504686147 330087445 /nfs/dbraw/zinc/08/74/45/330087445.db2.gz ABEMXKSQMZNDMG-HZPDHXFCSA-N 0 1 281.827 3.884 20 0 CHADMN CC(C)c1nc([C@@H](C)NCCCC2(O)CCC2)cs1 ZINC000421856283 330089123 /nfs/dbraw/zinc/08/91/23/330089123.db2.gz NFVRQNYULBZHST-GFCCVEGCSA-N 0 1 282.453 3.612 20 0 CHADMN COc1cc(Cl)ccc1[C@@H](C)NC1CC(F)(F)C1 ZINC000421857876 330089564 /nfs/dbraw/zinc/08/95/64/330089564.db2.gz QKAJYBZDVKMKAS-MRVPVSSYSA-N 0 1 275.726 3.797 20 0 CHADMN C[C@@H](N[C@@H](C)CC(F)(F)F)c1ccncc1Cl ZINC000421834815 330091625 /nfs/dbraw/zinc/09/16/25/330091625.db2.gz CVVFMXKMJORBPA-JGVFFNPUSA-N 0 1 266.694 3.727 20 0 CHADMN C[C@H]1CSCCN(Cc2nc3ccc(F)cc3s2)C1 ZINC000432928862 330093651 /nfs/dbraw/zinc/09/36/51/330093651.db2.gz AARHJTFSSLXTQQ-SNVBAGLBSA-N 0 1 296.436 3.620 20 0 CHADMN C[C@@H](CN[C@@H](C)c1ccncc1Cl)C(F)(F)F ZINC000421842190 330094018 /nfs/dbraw/zinc/09/40/18/330094018.db2.gz MZWWQIKYGSKQRP-YUMQZZPRSA-N 0 1 266.694 3.584 20 0 CHADMN Cc1csc(CN[C@H](C)c2ccncc2Cl)c1 ZINC000421861870 330098136 /nfs/dbraw/zinc/09/81/36/330098136.db2.gz VPQACYOFVICWOF-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1ccncc1Cl ZINC000421865695 330099131 /nfs/dbraw/zinc/09/91/31/330099131.db2.gz ZTUFOXCUNZJYSC-UFGOTCBOSA-N 0 1 262.740 3.535 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc(F)cc(F)c2)cc(C)n1 ZINC000421870583 330100136 /nfs/dbraw/zinc/10/01/36/330100136.db2.gz FPYWGMDMTYNICD-LBPRGKRZSA-N 0 1 276.330 3.827 20 0 CHADMN COC(=O)c1coc(CN(C)[C@@H](C)c2ccc(C)cc2)c1 ZINC000171032655 330127856 /nfs/dbraw/zinc/12/78/56/330127856.db2.gz SFHBZWKOBUSGTD-ZDUSSCGKSA-N 0 1 287.359 3.568 20 0 CHADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC000580456463 330140998 /nfs/dbraw/zinc/14/09/98/330140998.db2.gz COMYTNQLQQXORI-GOSISDBHSA-N 0 1 287.403 3.641 20 0 CHADMN CCCC[C@H](CC)CC[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000422637934 330150625 /nfs/dbraw/zinc/15/06/25/330150625.db2.gz SAJRDEINOCDKPZ-SOUVJXGZSA-N 0 1 269.429 3.636 20 0 CHADMN CC[C@@H](NCc1cccc2c1CCCN2)c1ccc(F)cn1 ZINC000423412788 330197408 /nfs/dbraw/zinc/19/74/08/330197408.db2.gz IOHPNNXGLIIREJ-MRXNPFEDSA-N 0 1 299.393 3.820 20 0 CHADMN CC[C@H](NCc1cccc2c1CCCN2)c1ccc(F)cn1 ZINC000423412787 330197439 /nfs/dbraw/zinc/19/74/39/330197439.db2.gz IOHPNNXGLIIREJ-INIZCTEOSA-N 0 1 299.393 3.820 20 0 CHADMN C[C@H]1C[C@H](C)N1CCCc1c(F)cccc1Cl ZINC000527238701 330240638 /nfs/dbraw/zinc/24/06/38/330240638.db2.gz PBXRVVAFGQLVJM-QWRGUYRKSA-N 0 1 255.764 3.894 20 0 CHADMN C[C@@H](NCc1cccc2c1OCO2)c1ccc(Cl)s1 ZINC000036325201 330254063 /nfs/dbraw/zinc/25/40/63/330254063.db2.gz FFZTUBILPMYRIX-SECBINFHSA-N 0 1 295.791 3.981 20 0 CHADMN Fc1ccc([C@@H]2CCN(Cc3ncccc3Cl)C2)cc1 ZINC000528400125 330256538 /nfs/dbraw/zinc/25/65/38/330256538.db2.gz KLPANJGMILYBQT-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN c1nc(C2CC2)sc1CNCc1ccc2ncccc2c1 ZINC000527530566 330258439 /nfs/dbraw/zinc/25/84/39/330258439.db2.gz XDYBLBSCUDWQPQ-UHFFFAOYSA-N 0 1 295.411 3.859 20 0 CHADMN Cc1cc(CN2CC(C)(C)[C@H]2c2ccccc2)ccn1 ZINC000527540491 330261129 /nfs/dbraw/zinc/26/11/29/330261129.db2.gz YYURBWWAWNUZGL-QGZVFWFLSA-N 0 1 266.388 3.973 20 0 CHADMN Cc1cccc(OC[C@@H](C)NCc2ccncc2Cl)c1 ZINC000527643254 330268780 /nfs/dbraw/zinc/26/87/80/330268780.db2.gz OKWCBPMFGDSVNQ-CYBMUJFWSA-N 0 1 290.794 3.601 20 0 CHADMN COc1cccc2c1CC[C@@H]2NCc1ccncc1Cl ZINC000527678593 330270488 /nfs/dbraw/zinc/27/04/88/330270488.db2.gz UQRCDICKSMZNBX-HNNXBMFYSA-N 0 1 288.778 3.521 20 0 CHADMN C[C@@H](N[C@H](C)[C@@H]1C[C@H]1C1CC1)c1noc(-c2ccccc2)n1 ZINC000527678158 330270658 /nfs/dbraw/zinc/27/06/58/330270658.db2.gz UCPOXJRTDZSOEP-MPTQWLOMSA-N 0 1 297.402 3.822 20 0 CHADMN Cc1cc(CNc2ccc(Cl)c(CN(C)C)c2)ccn1 ZINC000527703104 330275264 /nfs/dbraw/zinc/27/52/64/330275264.db2.gz KVASQDIGUDJGKT-UHFFFAOYSA-N 0 1 289.810 3.717 20 0 CHADMN Fc1ccccc1CN[C@@H](c1ccccn1)C1CCC1 ZINC000527774362 330282309 /nfs/dbraw/zinc/28/23/09/330282309.db2.gz SMJWIAICEQBGHR-QGZVFWFLSA-N 0 1 270.351 3.852 20 0 CHADMN CC[C@H](NCc1nccn1CC)c1cc(C)ccc1C ZINC000527817924 330282881 /nfs/dbraw/zinc/28/28/81/330282881.db2.gz DXWJWDZNZIPKKH-INIZCTEOSA-N 0 1 271.408 3.761 20 0 CHADMN Cc1cccc([C@@H](NCc2ccnc(C)n2)C(C)C)c1 ZINC000527808259 330284532 /nfs/dbraw/zinc/28/45/32/330284532.db2.gz KZLUHCJZHYDTSL-KRWDZBQOSA-N 0 1 269.392 3.580 20 0 CHADMN CC[C@H](NCc1conc1C)c1cc(C)ccc1C ZINC000527821372 330286322 /nfs/dbraw/zinc/28/63/22/330286322.db2.gz NLANRSLZJFTNLX-INIZCTEOSA-N 0 1 258.365 3.841 20 0 CHADMN CC[C@H](C)c1ccc([C@@H](C)NCc2ccnn2C)cc1 ZINC000527850097 330288101 /nfs/dbraw/zinc/28/81/01/330288101.db2.gz NHPQNXOSHBYNHH-UONOGXRCSA-N 0 1 271.408 3.784 20 0 CHADMN CC[C@H](CCc1ccccc1)NCc1nn(C)cc1Cl ZINC000527904305 330289777 /nfs/dbraw/zinc/28/97/77/330289777.db2.gz KSTPRBGPRUPAPG-CQSZACIVSA-N 0 1 291.826 3.575 20 0 CHADMN Cc1ncc(CN[C@@H](c2cccc(C)c2)C(C)C)o1 ZINC000527908336 330290600 /nfs/dbraw/zinc/29/06/00/330290600.db2.gz GNXDDWNHJXNHDG-MRXNPFEDSA-N 0 1 258.365 3.778 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](C)c2cccc(C(C)C)c2)n[nH]1 ZINC000527875956 330291281 /nfs/dbraw/zinc/29/12/81/330291281.db2.gz HDXGXZYSGOCWDN-STQMWFEESA-N 0 1 286.423 3.902 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@H](c2ccccc2)CC1)c1ncn(C)n1 ZINC000527895936 330292744 /nfs/dbraw/zinc/29/27/44/330292744.db2.gz VLEGAVRXSSTPFC-BHYGNILZSA-N 0 1 298.434 3.582 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@@H](c2ccccc2)CC1)c1ncn(C)n1 ZINC000527895942 330292820 /nfs/dbraw/zinc/29/28/20/330292820.db2.gz VLEGAVRXSSTPFC-USXIJHARSA-N 0 1 298.434 3.582 20 0 CHADMN Cc1nnsc1CN[C@H](c1cccc(C)c1)C(C)C ZINC000527900797 330293377 /nfs/dbraw/zinc/29/33/77/330293377.db2.gz IYNZQDFENNGWEC-HNNXBMFYSA-N 0 1 275.421 3.642 20 0 CHADMN COCCC1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000527937911 330293635 /nfs/dbraw/zinc/29/36/35/330293635.db2.gz WFSUIQOBJDGWIW-GFCCVEGCSA-N 0 1 283.362 3.774 20 0 CHADMN C[C@H](N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1cscn1 ZINC000527940998 330293983 /nfs/dbraw/zinc/29/39/83/330293983.db2.gz DETQFADNKOFYSX-VLBDWWMKSA-N 0 1 290.819 3.785 20 0 CHADMN Cc1cccc([C@@H](C)NC[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000527936283 330297994 /nfs/dbraw/zinc/29/79/94/330297994.db2.gz SEORPCPNMWLOAJ-TZMCWYRMSA-N 0 1 297.324 3.646 20 0 CHADMN c1c[nH]c([C@@H](NCC[C@H]2CC=CCC2)c2ccccc2)n1 ZINC000527983196 330298390 /nfs/dbraw/zinc/29/83/90/330298390.db2.gz VPOLMVIYWLMPKE-RDJZCZTQSA-N 0 1 281.403 3.835 20 0 CHADMN COc1ccc(Cl)cc1[C@@H](C)NCc1cccnc1C ZINC000527988911 330298956 /nfs/dbraw/zinc/29/89/56/330298956.db2.gz WCCSZVYVJWDNBA-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CC[C@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccn(C)n1 ZINC000527992414 330299266 /nfs/dbraw/zinc/29/92/66/330299266.db2.gz IFFOTBYRBGNJCJ-LSDHHAIUSA-N 0 1 289.810 3.802 20 0 CHADMN C[C@H](N[C@H](c1ccccn1)C1CCC1)c1ccoc1 ZINC000527962410 330300729 /nfs/dbraw/zinc/30/07/29/330300729.db2.gz DNLCXTUMTZMWPL-LRDDRELGSA-N 0 1 256.349 3.867 20 0 CHADMN C[C@@H](N[C@H](c1ccccn1)C1CCC1)c1ccncc1 ZINC000527963001 330300860 /nfs/dbraw/zinc/30/08/60/330300860.db2.gz FCLKLYIYJZUTRO-DYVFJYSZSA-N 0 1 267.376 3.669 20 0 CHADMN Cc1cncc([C@@H](C)N[C@@H](c2ccccn2)C2CCC2)c1 ZINC000527961698 330300865 /nfs/dbraw/zinc/30/08/65/330300865.db2.gz CQIKUQXNRWVPAK-RDTXWAMCSA-N 0 1 281.403 3.977 20 0 CHADMN c1ccc([C@H](N[C@@H]2CCCc3cccnc32)C2CCC2)nc1 ZINC000527967790 330301300 /nfs/dbraw/zinc/30/13/00/330301300.db2.gz RDFCCTBMIWPBFZ-IEBWSBKVSA-N 0 1 293.414 3.985 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](c2ccccn2)C2CCC2)c(C)n1 ZINC000527966939 330301315 /nfs/dbraw/zinc/30/13/15/330301315.db2.gz LUOSLLBTDORNAZ-FZKQIMNGSA-N 0 1 296.418 3.680 20 0 CHADMN Fc1ccc([C@@H](NCC[C@H]2CC=CCC2)c2ncc[nH]2)cc1 ZINC000527976390 330302049 /nfs/dbraw/zinc/30/20/49/330302049.db2.gz FEYKXZJKHTXJHM-WMLDXEAASA-N 0 1 299.393 3.974 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2C[C@]2(C)OC(C)C)oc1C ZINC000528010564 330303855 /nfs/dbraw/zinc/30/38/55/330303855.db2.gz ZLOPNVHJJLBZCK-GLQYFDAESA-N 0 1 251.370 3.503 20 0 CHADMN Cc1[nH]c2ccc(CNCc3cncn3C(C)C)cc2c1C ZINC000424160759 330306358 /nfs/dbraw/zinc/30/63/58/330306358.db2.gz UOLLORFAHLLVND-UHFFFAOYSA-N 0 1 296.418 3.852 20 0 CHADMN Cc1cc(F)c(CNC[C@H](C)C(F)(F)F)c(F)c1 ZINC000424163484 330308052 /nfs/dbraw/zinc/30/80/52/330308052.db2.gz DWFURGQKCAQWKS-QMMMGPOBSA-N 0 1 267.241 3.561 20 0 CHADMN Cc1cc(F)c(CN[C@@H]2C[C@H]2c2ccco2)c(F)c1 ZINC000424167269 330309836 /nfs/dbraw/zinc/30/98/36/330309836.db2.gz HGDONTLLICBLED-QMTHXVAHSA-N 0 1 263.287 3.512 20 0 CHADMN Cc1[nH]ncc1CNc1ccccc1Cc1ccccc1 ZINC000036901484 330310922 /nfs/dbraw/zinc/31/09/22/330310922.db2.gz BQRYFGXIYRMVOP-UHFFFAOYSA-N 0 1 277.371 3.921 20 0 CHADMN [O-]c1cccc(C[NH2+][C@H]2CCc3ccccc3C2)c1Cl ZINC000328074965 330311858 /nfs/dbraw/zinc/31/18/58/330311858.db2.gz ANTRUXBFDBXZIH-HNNXBMFYSA-N 0 1 287.790 3.693 20 0 CHADMN Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C)c1C ZINC000532957674 330322875 /nfs/dbraw/zinc/32/28/75/330322875.db2.gz QQSZDHUHCCJLDT-AWEZNQCLSA-N 0 1 276.424 3.608 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H](C)[C@@H]1C ZINC000532971506 330323591 /nfs/dbraw/zinc/32/35/91/330323591.db2.gz JONCEEVILKBAHN-YPMHNXCESA-N 0 1 294.826 3.707 20 0 CHADMN Cc1nc(C2(NCCCc3ccccc3)CCCCC2)no1 ZINC000533030190 330324880 /nfs/dbraw/zinc/32/48/80/330324880.db2.gz SJADMQAGPCNRHV-UHFFFAOYSA-N 0 1 299.418 3.760 20 0 CHADMN Cc1ccccc1-c1nc(CN(CC2CC2)C(C)C)no1 ZINC000533036367 330325898 /nfs/dbraw/zinc/32/58/98/330325898.db2.gz AIICEOIPJVRUJJ-UHFFFAOYSA-N 0 1 285.391 3.665 20 0 CHADMN CC(C)Oc1ccccc1[C@@H](C)N[C@@H](C)c1cnn(C)c1 ZINC000044497864 330328549 /nfs/dbraw/zinc/32/85/49/330328549.db2.gz IWQJMRWINWUIRY-UONOGXRCSA-N 0 1 287.407 3.619 20 0 CHADMN C[C@@H]1CCC[C@@H](CC[N@H+]2CCCC[C@H]2CCC(=O)[O-])C1 ZINC000424254787 330332377 /nfs/dbraw/zinc/33/23/77/330332377.db2.gz HBMQHSHDAMSVFW-PMPSAXMXSA-N 0 1 281.440 3.922 20 0 CHADMN c1c[nH]c([C@H](NC[C@@H]2C[C@H]2C2CCC2)c2ccccc2)n1 ZINC000424288411 330334231 /nfs/dbraw/zinc/33/42/31/330334231.db2.gz IUBJRSVSLJHFTA-YESZJQIVSA-N 0 1 281.403 3.525 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1ccc(C)c(F)c1 ZINC000106409788 330337670 /nfs/dbraw/zinc/33/76/70/330337670.db2.gz JNQACFHLCQSBBI-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN CC[C@H](N[C@@H]1C[C@]1(F)c1ccccc1)c1ccncc1 ZINC000424313307 330339031 /nfs/dbraw/zinc/33/90/31/330339031.db2.gz ATFXENMTUWTNSJ-BBWFWOEESA-N 0 1 270.351 3.760 20 0 CHADMN COC(=O)c1cnc([C@@H](C)N[C@@H](C)CC2CCCC2)s1 ZINC000424325513 330341112 /nfs/dbraw/zinc/34/11/12/330341112.db2.gz LGDBOGJNGQKQOO-WDEREUQCSA-N 0 1 296.436 3.549 20 0 CHADMN Cc1ccc([C@@H](C)N(C)C(=O)c2[nH]nc3ccccc32)cc1 ZINC000045247873 330342400 /nfs/dbraw/zinc/34/24/00/330342400.db2.gz AYDPSTUSNBJXCG-CYBMUJFWSA-N 0 1 293.370 3.705 20 0 CHADMN CCc1ccc(/C=C/c2nc(C3(N)CCCCC3)no2)o1 ZINC000424339214 330343806 /nfs/dbraw/zinc/34/38/06/330343806.db2.gz CARHWPVUUPENMC-CMDGGOBGSA-N 0 1 287.363 3.514 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H]2c2nc(C3(N)CCCCC3)no2)cc1 ZINC000424348483 330345047 /nfs/dbraw/zinc/34/50/47/330345047.db2.gz OJEWOLOKACARKN-GJZGRUSLSA-N 0 1 297.402 3.767 20 0 CHADMN CC[C@H](Cc1nc(C2(N)CCCCC2)no1)c1ccccc1 ZINC000424349200 330345152 /nfs/dbraw/zinc/34/51/52/330345152.db2.gz VDYJQKOUIZHIBS-CQSZACIVSA-N 0 1 299.418 3.924 20 0 CHADMN CCCCN(CC(=O)Nc1c(C)cc(C)cc1C)C1CC1 ZINC000533242950 330354984 /nfs/dbraw/zinc/35/49/84/330354984.db2.gz KSVAWENOCREUIF-UHFFFAOYSA-N 0 1 288.435 3.815 20 0 CHADMN CC(C)(C)CN(Cc1ccno1)Cc1ccccc1 ZINC000533287629 330355912 /nfs/dbraw/zinc/35/59/12/330355912.db2.gz JKVAUDBMDOFKQU-UHFFFAOYSA-N 0 1 258.365 3.723 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(Cl)c(F)c2)cn1 ZINC000212822586 330368020 /nfs/dbraw/zinc/36/80/20/330368020.db2.gz GRMNGRWSIRRCDE-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)[C@]3(C)C[C@@H]3F)cc2[nH]1 ZINC000424567113 330379327 /nfs/dbraw/zinc/37/93/27/330379327.db2.gz QLIMKHIKZIBALY-BLLLJJGKSA-N 0 1 289.354 3.547 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)C(=O)c1c(O)cccc1F ZINC000120133313 330384768 /nfs/dbraw/zinc/38/47/68/330384768.db2.gz IMNFZBRRWFYDNR-JTQLQIEISA-N 0 1 291.297 3.504 20 0 CHADMN COc1cccc([C@@H](C)N(C)Cc2cc(Cl)cn2C)c1 ZINC000120047846 330385327 /nfs/dbraw/zinc/38/53/27/330385327.db2.gz VIEMVGADNSMQRO-GFCCVEGCSA-N 0 1 292.810 3.880 20 0 CHADMN FC(F)(F)c1ccc2oc(CN3CCCCC3)nc2c1 ZINC000120172732 330386003 /nfs/dbraw/zinc/38/60/03/330386003.db2.gz FXMLAFNHGPKGIF-UHFFFAOYSA-N 0 1 284.281 3.833 20 0 CHADMN COC(=O)c1cc(CN[C@H](C)c2ccc(C)cc2)c(C)o1 ZINC000537028162 330387037 /nfs/dbraw/zinc/38/70/37/330387037.db2.gz KAKUCQZKSJSGKN-GFCCVEGCSA-N 0 1 287.359 3.534 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1ccccc1Br ZINC000120955552 330393643 /nfs/dbraw/zinc/39/36/43/330393643.db2.gz YIXYQDXQZCDDIU-MRVPVSSYSA-N 0 1 296.130 3.880 20 0 CHADMN c1ccc2cc(SCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)ccc2c1 ZINC000537070170 330396372 /nfs/dbraw/zinc/39/63/72/330396372.db2.gz SOJGFMALBMXZFP-CALCHBBNSA-N 0 1 299.439 3.795 20 0 CHADMN c1ccc2cc(SCCN3C[C@H]4CC[C@@H](C3)O4)ccc2c1 ZINC000537070170 330396373 /nfs/dbraw/zinc/39/63/73/330396373.db2.gz SOJGFMALBMXZFP-CALCHBBNSA-N 0 1 299.439 3.795 20 0 CHADMN C[C@@H](NCC1(c2ccc(F)cc2F)CC1)c1nccs1 ZINC000090919167 330397268 /nfs/dbraw/zinc/39/72/68/330397268.db2.gz IBVVIDVZOYMLGM-SNVBAGLBSA-N 0 1 294.370 3.804 20 0 CHADMN c1coc([C@@H]2CN([C@H]3CCCc4ccccc43)CCO2)c1 ZINC000121188429 330397443 /nfs/dbraw/zinc/39/74/43/330397443.db2.gz PKQQGNXQDBZKSO-WMZOPIPTSA-N 0 1 283.371 3.731 20 0 CHADMN Cc1cscc1CNCc1cc(F)c(F)c(F)c1 ZINC000094877765 330429592 /nfs/dbraw/zinc/42/95/92/330429592.db2.gz BUPNJANLGYMNGY-UHFFFAOYSA-N 0 1 271.307 3.764 20 0 CHADMN CC(C)OC1CCN([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000537589273 330444389 /nfs/dbraw/zinc/44/43/89/330444389.db2.gz GZIDUZUFOGLKDR-ZDUSSCGKSA-N 0 1 288.391 3.778 20 0 CHADMN COc1cccc([C@@H](C)N[C@H](C)c2cn3ccccc3n2)c1 ZINC000515525310 330478928 /nfs/dbraw/zinc/47/89/28/330478928.db2.gz CQVIGROLKLHQNM-ZIAGYGMSSA-N 0 1 295.386 3.755 20 0 CHADMN c1ccc2c(c1)nccc2N(Cc1cccnc1)C1CC1 ZINC000153172824 330640630 /nfs/dbraw/zinc/64/06/30/330640630.db2.gz IJORNDIDSKPLQB-UHFFFAOYSA-N 0 1 275.355 3.799 20 0 CHADMN CCOCCN[C@@H](C)c1cccc(Cl)c1Cl ZINC000161895839 330640846 /nfs/dbraw/zinc/64/08/46/330640846.db2.gz YLZVZIIAHKFYFE-VIFPVBQESA-N 0 1 262.180 3.681 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)c2ccccc2CC)c1 ZINC000436652982 330682293 /nfs/dbraw/zinc/68/22/93/330682293.db2.gz SAYSYKFTKYWEAV-UHFFFAOYSA-N 0 1 297.354 3.800 20 0 CHADMN Oc1cc(Cl)c(/C=C/c2ccncn2)cc1Cl ZINC000436862228 330686897 /nfs/dbraw/zinc/68/68/97/330686897.db2.gz DLTBZWFBAHYFOC-OWOJBTEDSA-N 0 1 267.115 3.659 20 0 CHADMN CC(C)c1cnc(CNC[C@]2(O)CCCC(C)(C)C2)s1 ZINC000438363753 330722995 /nfs/dbraw/zinc/72/29/95/330722995.db2.gz IJSMQVVFGXLITC-INIZCTEOSA-N 0 1 296.480 3.687 20 0 CHADMN Cc1ccc(CN[C@@H]2CCOc3c(F)cccc32)cc1F ZINC000438468483 330725463 /nfs/dbraw/zinc/72/54/63/330725463.db2.gz XTNMVISFNGWOTR-MRXNPFEDSA-N 0 1 289.325 3.887 20 0 CHADMN COc1cc(NC(C)=O)ccc1[C@@H](C)NCc1ccccc1 ZINC000439096757 330733722 /nfs/dbraw/zinc/73/37/22/330733722.db2.gz WTZKENLAZZZKJS-CYBMUJFWSA-N 0 1 298.386 3.504 20 0 CHADMN CC[C@H](C[C@H](C)CO)Nc1ccnc2cc(F)ccc21 ZINC000439711186 330742186 /nfs/dbraw/zinc/74/21/86/330742186.db2.gz TXLTUROYPLIYAC-WCQYABFASA-N 0 1 276.355 3.583 20 0 CHADMN O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc(O)c(Cl)c1 ZINC000440139815 330746264 /nfs/dbraw/zinc/74/62/64/330746264.db2.gz UIZRVXVMPCKSEF-GMXVVIOVSA-N 0 1 293.794 3.744 20 0 CHADMN Cc1ccc2c(c1)CC[C@@H]2NCc1cc(C(F)(F)F)n[nH]1 ZINC000440816687 330756927 /nfs/dbraw/zinc/75/69/27/330756927.db2.gz DABOQKGQTDXMNB-ZDUSSCGKSA-N 0 1 295.308 3.514 20 0 CHADMN CCc1ccccc1-c1noc(CN2[C@@H](C)CC[C@@H]2C)n1 ZINC000443195169 330796293 /nfs/dbraw/zinc/79/62/93/330796293.db2.gz HXIYUTJBALJOKI-STQMWFEESA-N 0 1 285.391 3.672 20 0 CHADMN C[C@@H](NCc1ccc(-c2ccsc2)cc1)c1cn[nH]c1 ZINC000444675705 330818434 /nfs/dbraw/zinc/81/84/34/330818434.db2.gz OJBDFKXTYCYJDW-GFCCVEGCSA-N 0 1 283.400 3.989 20 0 CHADMN COC(=O)c1coc([C@H](C)N[C@H]2c3ccccc3C[C@@H]2C)c1 ZINC000447572942 330870596 /nfs/dbraw/zinc/87/05/96/330870596.db2.gz FFANTNOIUXZUBB-NVGCLXPQSA-N 0 1 299.370 3.650 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](CO)c2sccc2C)c(C)o1 ZINC000447589550 330871962 /nfs/dbraw/zinc/87/19/62/330871962.db2.gz YDCFNEIZTHYKMJ-RISCZKNCSA-N 0 1 279.405 3.651 20 0 CHADMN C=Cn1cc(CN[C@H](C)c2ccccc2C(F)(F)F)cn1 ZINC000447822874 330877918 /nfs/dbraw/zinc/87/79/18/330877918.db2.gz SSTRMLLXTAFFJT-LLVKDONJSA-N 0 1 295.308 3.853 20 0 CHADMN c1c2cccnc2oc1CN[C@@H]1CCCOc2ccccc21 ZINC000449118439 330899961 /nfs/dbraw/zinc/89/99/61/330899961.db2.gz XTRNNPAOSQCWSR-MRXNPFEDSA-N 0 1 294.354 3.831 20 0 CHADMN CCc1cc(NC(=O)[C@H](N)c2ccccc2C)ccc1C ZINC000449177480 330903985 /nfs/dbraw/zinc/90/39/85/330903985.db2.gz VUGYANPDTLSKKO-QGZVFWFLSA-N 0 1 282.387 3.504 20 0 CHADMN C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1ccncc1F ZINC000449180220 330904037 /nfs/dbraw/zinc/90/40/37/330904037.db2.gz YXSPXNJIMCEQFA-APPDUMDISA-N 0 1 288.341 3.773 20 0 CHADMN COCC1CCC(Nc2cc3c(cn2)CCCC3)CC1 ZINC000449335467 330915672 /nfs/dbraw/zinc/91/56/72/330915672.db2.gz IQXDGFSSTGROAL-UHFFFAOYSA-N 0 1 274.408 3.578 20 0 CHADMN FCC(CF)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449377669 330920649 /nfs/dbraw/zinc/92/06/49/330920649.db2.gz BGSLKZSBGDPOSD-WCQYABFASA-N 0 1 273.754 3.873 20 0 CHADMN C[C@H]1CCC[C@@]1(C)C(=O)Nc1cccc(Cl)c1O ZINC000450410357 330977209 /nfs/dbraw/zinc/97/72/09/330977209.db2.gz MSGANJRRKJZYDN-LKFCYVNXSA-N 0 1 267.756 3.810 20 0 CHADMN CCC[C@H]1CCC[C@H]1C(=O)Nc1cc(C(C)=O)ccc1O ZINC000450436172 330979354 /nfs/dbraw/zinc/97/93/54/330979354.db2.gz IUPPNWDATQKFIU-GXTWGEPZSA-N 0 1 289.375 3.750 20 0 CHADMN FCC1CCN(c2ccnc3cc(F)ccc32)CC1 ZINC000450686232 330993705 /nfs/dbraw/zinc/99/37/05/330993705.db2.gz MWIOGUDICZSRMF-UHFFFAOYSA-N 0 1 262.303 3.560 20 0 CHADMN CC(C)c1nnc(CN(C)[C@H]2CCCC[C@H]2C)s1 ZINC000450813859 331000749 /nfs/dbraw/zinc/00/07/49/331000749.db2.gz WYXYITCKPMXUOE-NEPJUHHUSA-N 0 1 267.442 3.672 20 0 CHADMN CCC(=O)CCCN1CC[C@](F)(c2ccccc2C)C1 ZINC000450922692 331007392 /nfs/dbraw/zinc/00/73/92/331007392.db2.gz AQJILRMTLNWDOU-QGZVFWFLSA-N 0 1 277.383 3.625 20 0 CHADMN Cc1oncc1CN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451019382 331011960 /nfs/dbraw/zinc/01/19/60/331011960.db2.gz UXDSJKLWQRRUKP-INIZCTEOSA-N 0 1 296.374 3.505 20 0 CHADMN CCCc1noc(CN2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)n1 ZINC000451181800 331019176 /nfs/dbraw/zinc/01/91/76/331019176.db2.gz IHQYHRGCTDMBNN-IJEWVQPXSA-N 0 1 299.418 3.789 20 0 CHADMN CC(C)c1noc(CN2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000451192453 331019756 /nfs/dbraw/zinc/01/97/56/331019756.db2.gz WCODJIVGNBYIBO-YCPHGPKFSA-N 0 1 299.418 3.960 20 0 CHADMN CC(=O)c1cccc(C[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1 ZINC000451362753 331025824 /nfs/dbraw/zinc/02/58/24/331025824.db2.gz QJUVJNNYCKNEMW-HCXYKTFWSA-N 0 1 281.399 3.533 20 0 CHADMN COCCOCCN1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000451731760 331040487 /nfs/dbraw/zinc/04/04/87/331040487.db2.gz FOXKOTZPKXKPQP-MRXNPFEDSA-N 0 1 297.826 3.530 20 0 CHADMN FCCCCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451858048 331045007 /nfs/dbraw/zinc/04/50/07/331045007.db2.gz RETCTDKTEOACGP-AWEZNQCLSA-N 0 1 251.345 3.946 20 0 CHADMN COCCSCCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451862515 331045272 /nfs/dbraw/zinc/04/52/72/331045272.db2.gz VNRCYNYEAKQJJM-OAHLLOKOSA-N 0 1 295.448 3.576 20 0 CHADMN c1ccc2[nH]c([C@H]3CCCCN3CC[C@H]3CCCO3)nc2c1 ZINC000451876173 331045720 /nfs/dbraw/zinc/04/57/20/331045720.db2.gz DYCCLYIVAUPKCL-RHSMWYFYSA-N 0 1 299.418 3.659 20 0 CHADMN CC[C@@H]1CC[C@H](C)N(Cc2nc(Cc3ccccc3)no2)C1 ZINC000451966588 331048795 /nfs/dbraw/zinc/04/87/95/331048795.db2.gz MKJRTKMRVXEQEU-LSDHHAIUSA-N 0 1 299.418 3.671 20 0 CHADMN CCO[C@@H]1CCCC[C@H]1NCc1ccn(C(CC)CC)n1 ZINC000452033935 331051198 /nfs/dbraw/zinc/05/11/98/331051198.db2.gz IFKZMLIAMFBGPU-IAGOWNOFSA-N 0 1 293.455 3.682 20 0 CHADMN CCCCc1nc(CN2CCC[C@H](COC)CC2)cs1 ZINC000452085849 331053574 /nfs/dbraw/zinc/05/35/74/331053574.db2.gz OGQADZDDVXDEGA-AWEZNQCLSA-N 0 1 296.480 3.734 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@@]3(C)CC=CCC3)[nH]c2c1 ZINC000452316752 331062121 /nfs/dbraw/zinc/06/21/21/331062121.db2.gz BZJZOQHZASECGX-INIZCTEOSA-N 0 1 269.348 3.556 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@@H](C)c1cnn(C)c1C ZINC000194848091 331064739 /nfs/dbraw/zinc/06/47/39/331064739.db2.gz RYTHDDQZKJSVKP-RYUDHWBXSA-N 0 1 289.448 3.862 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@H](C)c1cnn(C)c1C ZINC000194848079 331064742 /nfs/dbraw/zinc/06/47/42/331064742.db2.gz RYTHDDQZKJSVKP-NWDGAFQWSA-N 0 1 289.448 3.862 20 0 CHADMN Cc1ccc([C@@H](N[C@@H](C)c2ccncn2)C2CC2)cc1 ZINC000453060309 331085463 /nfs/dbraw/zinc/08/54/63/331085463.db2.gz BZTVTXIULKCRHB-SUMWQHHRSA-N 0 1 267.376 3.587 20 0 CHADMN C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccncn1 ZINC000453101811 331089236 /nfs/dbraw/zinc/08/92/36/331089236.db2.gz YURHAXYHDKFVJK-BDJLRTHQSA-N 0 1 287.794 3.932 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccc1C(F)(F)F)c1ccncn1 ZINC000453103032 331089335 /nfs/dbraw/zinc/08/93/35/331089335.db2.gz WDPNSQPWSQPJLU-QWRGUYRKSA-N 0 1 295.308 3.907 20 0 CHADMN Cc1[nH]c2c(cc(C)cc2CN[C@@H](C)c2ccncn2)c1C ZINC000453112073 331090195 /nfs/dbraw/zinc/09/01/95/331090195.db2.gz SREPTIGGDFFWBW-AWEZNQCLSA-N 0 1 294.402 3.734 20 0 CHADMN C[C@H](N[C@H]1c2cccc(F)c2CC[C@H]1C)c1ccncn1 ZINC000453149198 331094322 /nfs/dbraw/zinc/09/43/22/331094322.db2.gz ZUPPSTIZVDACJM-BWACUDIHSA-N 0 1 285.366 3.590 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000453157077 331095115 /nfs/dbraw/zinc/09/51/15/331095115.db2.gz YBKUPNIDBDBTPS-QDEZUTFSSA-N 0 1 299.418 3.507 20 0 CHADMN C[C@@H](N[C@@H]1CC1(C)C)c1ncc(-c2ccccc2)n1C ZINC000453163547 331095917 /nfs/dbraw/zinc/09/59/17/331095917.db2.gz NNNFHLQHIRJRKQ-IUODEOHRSA-N 0 1 269.392 3.536 20 0 CHADMN C[C@H](NCc1ccc(OC2CCCC2)cc1)c1ccncn1 ZINC000453164107 331096068 /nfs/dbraw/zinc/09/60/68/331096068.db2.gz TWTNBAKJDBBNFP-AWEZNQCLSA-N 0 1 297.402 3.649 20 0 CHADMN CC[C@H](N[C@@H](CC)c1ccncc1)c1c(C)noc1C ZINC000453181776 331098082 /nfs/dbraw/zinc/09/80/82/331098082.db2.gz QMZMNAUXZSPDKK-GJZGRUSLSA-N 0 1 273.380 3.878 20 0 CHADMN CC[C@@H](N[C@H](CCOC)c1ccc(C)o1)c1ccncc1 ZINC000453192596 331099613 /nfs/dbraw/zinc/09/96/13/331099613.db2.gz BSYLHILWDBEWCQ-HZPDHXFCSA-N 0 1 288.391 3.802 20 0 CHADMN C[C@@H]1CCCc2ccccc2[C@@H]1N[C@H]1CCn2ccnc21 ZINC000453195555 331100034 /nfs/dbraw/zinc/10/00/34/331100034.db2.gz KTGJPSAINLQDSB-XOKHGSTOSA-N 0 1 281.403 3.631 20 0 CHADMN C[C@H]1CC[C@@H](NCc2nnc3ccccn32)c2sccc21 ZINC000453196297 331100054 /nfs/dbraw/zinc/10/00/54/331100054.db2.gz LGKQBKZWIUADGT-WCQYABFASA-N 0 1 298.415 3.519 20 0 CHADMN Cc1cccc(C)c1[C@H](C)N[C@H](C)c1ccncn1 ZINC000453199406 331100570 /nfs/dbraw/zinc/10/05/70/331100570.db2.gz PSDVKHYFQFDQBF-KGLIPLIRSA-N 0 1 255.365 3.505 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccncc1OC)c1ccsc1 ZINC000453213163 331102093 /nfs/dbraw/zinc/10/20/93/331102093.db2.gz HCCWVNYXZXARLT-FZMZJTMJSA-N 0 1 276.405 3.954 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccncc1OC)c1ccsc1 ZINC000453213160 331102140 /nfs/dbraw/zinc/10/21/40/331102140.db2.gz HCCWVNYXZXARLT-BXUZGUMPSA-N 0 1 276.405 3.954 20 0 CHADMN Cc1cc([C@@H](C)NC[C@H]2CSc3ccccc32)no1 ZINC000453215156 331102457 /nfs/dbraw/zinc/10/24/57/331102457.db2.gz FQLCYXHGEBSPFQ-NEPJUHHUSA-N 0 1 274.389 3.523 20 0 CHADMN Cn1cc2c(n1)CCC[C@H]2NCc1cc(C2CC2)ccc1F ZINC000453247327 331106983 /nfs/dbraw/zinc/10/69/83/331106983.db2.gz AHZFLZZVUUNQHP-QGZVFWFLSA-N 0 1 299.393 3.604 20 0 CHADMN COc1nccc(CN[C@@H](C)c2cccc(CC(C)C)c2)n1 ZINC000453249808 331107407 /nfs/dbraw/zinc/10/74/07/331107407.db2.gz DJKCASVPCGSATD-AWEZNQCLSA-N 0 1 299.418 3.535 20 0 CHADMN CC[C@H](N[C@H](C)[C@@H]1C[C@H]1c1ccccc1)C(F)F ZINC000453254150 331107913 /nfs/dbraw/zinc/10/79/13/331107913.db2.gz XTWZHYFSCKYLSW-SAXRGWBVSA-N 0 1 253.336 3.812 20 0 CHADMN C[C@@H](N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1)C1CC1 ZINC000453290705 331111824 /nfs/dbraw/zinc/11/18/24/331111824.db2.gz LGSGTSCOFOGDTD-BZNIZROVSA-N 0 1 289.810 3.551 20 0 CHADMN CC[C@](C)(CN[C@H](C)c1csc(C(C)C)n1)OC ZINC000453291907 331111947 /nfs/dbraw/zinc/11/19/47/331111947.db2.gz CBEVQTJADZMUNE-BXUZGUMPSA-N 0 1 270.442 3.732 20 0 CHADMN COC[C@@H](NCc1cc(C)cs1)c1ccc(F)c(F)c1 ZINC000453307182 331114084 /nfs/dbraw/zinc/11/40/84/331114084.db2.gz BEACDCZMVAMAPF-OAHLLOKOSA-N 0 1 297.370 3.812 20 0 CHADMN CC/C=C\CN[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453340733 331119040 /nfs/dbraw/zinc/11/90/40/331119040.db2.gz ZPCIJEQCJOOJSP-VYLZPFMQSA-N 0 1 269.392 3.704 20 0 CHADMN CC[C@H](NCc1ncccc1OC)c1cccc(C)c1 ZINC000453346289 331120124 /nfs/dbraw/zinc/12/01/24/331120124.db2.gz BLRCVIZURHVFQU-HNNXBMFYSA-N 0 1 270.376 3.640 20 0 CHADMN C[C@@H](c1csc(Cl)c1)N1CCC[C@]2(CCOC2)C1 ZINC000453349030 331120417 /nfs/dbraw/zinc/12/04/17/331120417.db2.gz GKTNZONQQBDUGY-FZMZJTMJSA-N 0 1 285.840 3.965 20 0 CHADMN C[C@@H](N[C@H]1CCCN(C)c2ccccc21)c1ccc(F)cn1 ZINC000453353956 331121236 /nfs/dbraw/zinc/12/12/36/331121236.db2.gz IAKTZUSEYAOATN-DYVFJYSZSA-N 0 1 299.393 3.843 20 0 CHADMN C[C@H]1Cc2ccccc2[C@H]1NCc1cnc(C2CC2)o1 ZINC000453355565 331121447 /nfs/dbraw/zinc/12/14/47/331121447.db2.gz MLAQXVUJJLIFNI-ZBEGNZNMSA-N 0 1 268.360 3.575 20 0 CHADMN CCc1ccc([C@@H](CC)NCc2ncccc2OC)cc1 ZINC000453363173 331122888 /nfs/dbraw/zinc/12/28/88/331122888.db2.gz MHXNGMWZCVCPAF-MRXNPFEDSA-N 0 1 284.403 3.894 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cnc(C3CC3)o2)c1 ZINC000453365244 331123063 /nfs/dbraw/zinc/12/30/63/331123063.db2.gz RGSDXHVMWHAYGO-GFCCVEGCSA-N 0 1 256.349 3.711 20 0 CHADMN CCc1ncc(CN[C@@H]2c3cccc(F)c3CC[C@H]2C)o1 ZINC000453368613 331123712 /nfs/dbraw/zinc/12/37/12/331123712.db2.gz HOCUYXXLPYFRLM-DIFFPNOSSA-N 0 1 288.366 3.789 20 0 CHADMN CCC(C)(C)OCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000453414174 331130091 /nfs/dbraw/zinc/13/00/91/331130091.db2.gz SSTKEFKVNCGLIY-HNNXBMFYSA-N 0 1 293.455 3.826 20 0 CHADMN CC[C@]1(C(C)C)C[C@H]1N[C@H](c1ccccc1)c1cncnc1 ZINC000453458273 331132526 /nfs/dbraw/zinc/13/25/26/331132526.db2.gz VUUDSXLZDUCDQY-GUDVDZBRSA-N 0 1 295.430 3.980 20 0 CHADMN CC[C@]1(C(C)C)C[C@H]1N[C@@H](c1ccccc1)c1ccncn1 ZINC000453462889 331132544 /nfs/dbraw/zinc/13/25/44/331132544.db2.gz XNEZZELAAJYZMJ-CEXWTWQISA-N 0 1 295.430 3.980 20 0 CHADMN CC[C@]1(C(C)C)C[C@@H]1N[C@@H](c1ccccc1)c1ccncn1 ZINC000453462890 331132584 /nfs/dbraw/zinc/13/25/84/331132584.db2.gz XNEZZELAAJYZMJ-GBESFXJTSA-N 0 1 295.430 3.980 20 0 CHADMN CCC1CN(Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000453600922 331135859 /nfs/dbraw/zinc/13/58/59/331135859.db2.gz FLUAZBHDHAAQGT-UHFFFAOYSA-N 0 1 289.810 3.582 20 0 CHADMN CCOC[C@@H]1CCC[C@H]1Nc1ccc2cnccc2c1 ZINC000453623253 331137046 /nfs/dbraw/zinc/13/70/46/331137046.db2.gz WQDIBMBJSRRMOL-DOTOQJQBSA-N 0 1 270.376 3.852 20 0 CHADMN Cc1ccc(F)c(CN(Cc2cnn(C)c2)CC(C)C)c1 ZINC000453626508 331137157 /nfs/dbraw/zinc/13/71/57/331137157.db2.gz SVUACBHHQOQDEG-UHFFFAOYSA-N 0 1 289.398 3.526 20 0 CHADMN CCC(C)(C)OCCNCc1nc2c(s1)C[C@H](C)CC2 ZINC000453624077 331137160 /nfs/dbraw/zinc/13/71/60/331137160.db2.gz ZUFWRENCPAAPBU-GFCCVEGCSA-N 0 1 296.480 3.563 20 0 CHADMN C[C@]1(c2ccccc2)CCC[N@@H+](Cc2cscn2)C1 ZINC000172078342 335093779 /nfs/dbraw/zinc/09/37/79/335093779.db2.gz PAUWZGWYHZFSSJ-INIZCTEOSA-N 0 1 272.417 3.697 20 0 CHADMN C[C@]1(c2ccccc2)CCCN(Cc2cscn2)C1 ZINC000172078342 335093781 /nfs/dbraw/zinc/09/37/81/335093781.db2.gz PAUWZGWYHZFSSJ-INIZCTEOSA-N 0 1 272.417 3.697 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C2=CCC(C)(C)CC2)c1 ZINC000455995113 331182053 /nfs/dbraw/zinc/18/20/53/331182053.db2.gz NOFDDGKHYRLDLP-UHFFFAOYSA-N 0 1 287.359 3.670 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C2=CC[C@@H](C)CC2)c1 ZINC000456077968 331184043 /nfs/dbraw/zinc/18/40/43/331184043.db2.gz ZZZCHNFWOLBMCC-LLVKDONJSA-N 0 1 287.359 3.670 20 0 CHADMN CC(C)[C@H]1CN(C(=O)c2ccc(O)c(Cl)c2)[C@H]1C(C)C ZINC000456306326 331189707 /nfs/dbraw/zinc/18/97/07/331189707.db2.gz XMYSFZPLDDTYKW-DOMZBBRYSA-N 0 1 295.810 3.798 20 0 CHADMN CC(C)CCCCC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000457383286 331220667 /nfs/dbraw/zinc/22/06/67/331220667.db2.gz FQAMBWIWOYEKCW-AWEZNQCLSA-N 0 1 296.480 3.683 20 0 CHADMN Cc1cccc2nc(CNC(=O)C3CC(C(C)(C)C)C3)[nH]c21 ZINC000457695425 331231504 /nfs/dbraw/zinc/23/15/04/331231504.db2.gz SLWGOYCRHGVNRL-UHFFFAOYSA-N 0 1 299.418 3.560 20 0 CHADMN O=C(CCCC1CCCCC1)NCc1ccc2cncn2c1 ZINC000457971767 331238390 /nfs/dbraw/zinc/23/83/90/331238390.db2.gz DCKQMMSZXBJMMD-UHFFFAOYSA-N 0 1 299.418 3.701 20 0 CHADMN CC1(C)CCC(CC(=O)NCc2ccc3cncn3c2)CC1 ZINC000457982826 331238593 /nfs/dbraw/zinc/23/85/93/331238593.db2.gz ZQHOEVGBYGKDLR-UHFFFAOYSA-N 0 1 299.418 3.557 20 0 CHADMN Cc1ccc([C@H](C)[N@@H+](C)Cc2cnc(C3CC3)nc2)cc1 ZINC000459298665 331275176 /nfs/dbraw/zinc/27/51/76/331275176.db2.gz JYXHCPLSZNRXBU-AWEZNQCLSA-N 0 1 281.403 3.855 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cnc(C3CC3)nc2)cc1 ZINC000459298665 331275177 /nfs/dbraw/zinc/27/51/77/331275177.db2.gz JYXHCPLSZNRXBU-AWEZNQCLSA-N 0 1 281.403 3.855 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cnc(C3CC3)nc2)cc1 ZINC000459307735 331275667 /nfs/dbraw/zinc/27/56/67/331275667.db2.gz JMUWHKUYFJBBOY-GOSISDBHSA-N 0 1 293.414 4.000 20 0 CHADMN C[C@@H]1CC[N@@H+](CCn2cc(Cl)cn2)[C@@H](c2ccco2)C1 ZINC000459350522 331277451 /nfs/dbraw/zinc/27/74/51/331277451.db2.gz FTWKKBDTVQQEHR-TZMCWYRMSA-N 0 1 293.798 3.603 20 0 CHADMN C[C@@H]1CCN(CCn2cc(Cl)cn2)[C@@H](c2ccco2)C1 ZINC000459350522 331277452 /nfs/dbraw/zinc/27/74/52/331277452.db2.gz FTWKKBDTVQQEHR-TZMCWYRMSA-N 0 1 293.798 3.603 20 0 CHADMN CCn1nncc1CN1CCCC[C@@H]1c1cccc(C)c1C ZINC000459351698 331277556 /nfs/dbraw/zinc/27/75/56/331277556.db2.gz JRROZVINADATIT-GOSISDBHSA-N 0 1 298.434 3.642 20 0 CHADMN C[C@@H](NCc1cnc(C2CC2)nc1)c1cccc(Cl)c1 ZINC000459363969 331278368 /nfs/dbraw/zinc/27/83/68/331278368.db2.gz IWTAVEFOIUKSMB-LLVKDONJSA-N 0 1 287.794 3.858 20 0 CHADMN Cc1cc(CNCCCc2cccc(C(F)(F)F)c2)no1 ZINC000459394069 331279738 /nfs/dbraw/zinc/27/97/38/331279738.db2.gz ZCSGWBKAUAMLSQ-UHFFFAOYSA-N 0 1 298.308 3.724 20 0 CHADMN Cc1cccn2cc(CNCc3ccc(C4CC4)cc3)nc12 ZINC000459452926 331282075 /nfs/dbraw/zinc/28/20/75/331282075.db2.gz BYZDXSLUHBYAEX-UHFFFAOYSA-N 0 1 291.398 3.810 20 0 CHADMN FC1(F)CCC(CN2CCCC[C@@H]2c2cc[nH]n2)CC1 ZINC000459458255 331282356 /nfs/dbraw/zinc/28/23/56/331282356.db2.gz HAMHELOFARLEFM-CQSZACIVSA-N 0 1 283.366 3.762 20 0 CHADMN FC1(F)CCC(C[N@@H+](Cc2ccccn2)C2CC2)CC1 ZINC000459475382 331283829 /nfs/dbraw/zinc/28/38/29/331283829.db2.gz QBFJXEHPDRNEEI-UHFFFAOYSA-N 0 1 280.362 3.872 20 0 CHADMN CCc1nocc1CN(C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000459490511 331284773 /nfs/dbraw/zinc/28/47/73/331284773.db2.gz SIHCUVAQIGKHNL-ZDUSSCGKSA-N 0 1 284.403 3.919 20 0 CHADMN COCc1cc(C[N@H+]2CCCC3(CCCCC3)CC2)no1 ZINC000459498081 331284996 /nfs/dbraw/zinc/28/49/96/331284996.db2.gz ULTKNPRJWSJILT-UHFFFAOYSA-N 0 1 292.423 3.757 20 0 CHADMN COCc1cc(CN2CCCC3(CCCCC3)CC2)no1 ZINC000459498081 331284997 /nfs/dbraw/zinc/28/49/97/331284997.db2.gz ULTKNPRJWSJILT-UHFFFAOYSA-N 0 1 292.423 3.757 20 0 CHADMN Fc1cc(F)c(CNC2CC3(CCC3)C2)c(F)c1 ZINC000459592265 331289709 /nfs/dbraw/zinc/28/97/09/331289709.db2.gz PCPACFCYUUNCMC-UHFFFAOYSA-N 0 1 255.283 3.526 20 0 CHADMN C[C@H]1CCCC[C@@]1(C)NCc1nc(C2CCCC2)no1 ZINC000459605965 331290357 /nfs/dbraw/zinc/29/03/57/331290357.db2.gz DSYSKZBMJLYMBF-BLLLJJGKSA-N 0 1 277.412 3.786 20 0 CHADMN CCc1cccc(Cl)c1CN1CC2(C1)CCOCC2 ZINC000459611325 331290555 /nfs/dbraw/zinc/29/05/55/331290555.db2.gz CSNVYSCRNWUGHE-UHFFFAOYSA-N 0 1 279.811 3.515 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@]2(C)CCCC[C@@H]2C)n1 ZINC000459621304 331290819 /nfs/dbraw/zinc/29/08/19/331290819.db2.gz WNFHTLSAGKWRAO-ZOWXZIJZSA-N 0 1 297.468 3.942 20 0 CHADMN CCC1(C)CN(Cc2cc(F)cc3cccnc32)C1 ZINC000459631619 331291134 /nfs/dbraw/zinc/29/11/34/331291134.db2.gz IRJGTJIIVDKHHB-UHFFFAOYSA-N 0 1 258.340 3.606 20 0 CHADMN CCC1(C)CN(Cc2ccc(F)c3cccnc23)C1 ZINC000459638777 331291581 /nfs/dbraw/zinc/29/15/81/331291581.db2.gz UHYJVYBHSLCUMQ-UHFFFAOYSA-N 0 1 258.340 3.606 20 0 CHADMN CC(C)c1noc(CN(C)[C@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000459668607 331293249 /nfs/dbraw/zinc/29/32/49/331293249.db2.gz CFGILKKVLKMVCA-CVEARBPZSA-N 0 1 299.418 3.961 20 0 CHADMN CCn1ccnc1CN(C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459687931 331294521 /nfs/dbraw/zinc/29/45/21/331294521.db2.gz XXJVYQROCHGPPL-IRXDYDNUSA-N 0 1 283.419 3.671 20 0 CHADMN CC(C)c1ccc(CNCc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000459691881 331294669 /nfs/dbraw/zinc/29/46/69/331294669.db2.gz DOJOZYVPPVNSFP-UHFFFAOYSA-N 0 1 286.423 3.515 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN(C)C1CC(C)(C)C1 ZINC000459741748 331297435 /nfs/dbraw/zinc/29/74/35/331297435.db2.gz NNXOBZWKCNVTCD-UHFFFAOYSA-N 0 1 294.826 3.707 20 0 CHADMN Cc1ccc([C@H](N[C@@H](C)c2ccn(C)n2)C2CC2)cc1 ZINC000459743507 331297620 /nfs/dbraw/zinc/29/76/20/331297620.db2.gz GTNAKMNDKHAOPQ-GUYCJALGSA-N 0 1 269.392 3.530 20 0 CHADMN CCc1nc(CN[C@H]2C[C@H](OC(C)(C)C)C2(C)C)cs1 ZINC000459745210 331297810 /nfs/dbraw/zinc/29/78/10/331297810.db2.gz FDAZVDSZEZHGMV-STQMWFEESA-N 0 1 296.480 3.777 20 0 CHADMN C[C@@]1(NCc2ncc(C(F)(F)F)s2)CC=CCC1 ZINC000459747859 331298000 /nfs/dbraw/zinc/29/80/00/331298000.db2.gz HGBAXCHDPBORRS-LLVKDONJSA-N 0 1 276.327 3.750 20 0 CHADMN CCOC(=O)CC(C)(C)CCN1Cc2cccc(F)c2C1 ZINC000459749308 331298200 /nfs/dbraw/zinc/29/82/00/331298200.db2.gz MFZFWTHLGFWIPR-UHFFFAOYSA-N 0 1 293.382 3.511 20 0 CHADMN Cc1c(C)c(C)c(CN[C@@H](C)c2ccn(C)n2)c(C)c1C ZINC000459771509 331299794 /nfs/dbraw/zinc/29/97/94/331299794.db2.gz BKZCGCWRRSIYTP-INIZCTEOSA-N 0 1 285.435 3.813 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1nc(C(C)(C)C)no1)C1CCC1 ZINC000459791033 331301010 /nfs/dbraw/zinc/30/10/10/331301010.db2.gz HADFNDOJHOXEPV-WCQYABFASA-N 0 1 279.428 3.987 20 0 CHADMN CSC[C@@H](C)N[C@@H](c1ccccc1)c1ccccn1 ZINC000166084023 331306727 /nfs/dbraw/zinc/30/67/27/331306727.db2.gz ISUHDQIIERPDQC-CJNGLKHVSA-N 0 1 272.417 3.512 20 0 CHADMN CC(C)[C@H](O)CN[C@@H](C)c1cc(Cl)sc1Cl ZINC000167775025 331308402 /nfs/dbraw/zinc/30/84/02/331308402.db2.gz PUGNOTCSPVTRRD-IONNQARKSA-N 0 1 282.236 3.722 20 0 CHADMN C[C@H]1CCN(CC(=O)c2cccn2C)CC12CCCCC2 ZINC000462461524 331322363 /nfs/dbraw/zinc/32/23/63/331322363.db2.gz XVXIIAVWNBDYDV-HNNXBMFYSA-N 0 1 288.435 3.500 20 0 CHADMN CCC[C@H](C(=O)Nc1cccc(C2CCC2)c1)N(C)C ZINC000462723604 331325648 /nfs/dbraw/zinc/32/56/48/331325648.db2.gz TXCOBMWLMAQYTE-MRXNPFEDSA-N 0 1 274.408 3.623 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cn(C)nc2C(F)F)cc1 ZINC000462777634 331328495 /nfs/dbraw/zinc/32/84/95/331328495.db2.gz NMPWRNZSSAVILD-LLVKDONJSA-N 0 1 293.361 3.771 20 0 CHADMN COc1ccc(F)cc1CN[C@@H]1CCc2c1cccc2C ZINC000462793051 331329317 /nfs/dbraw/zinc/32/93/17/331329317.db2.gz PNJKXXIZZQNXAS-QGZVFWFLSA-N 0 1 285.362 3.920 20 0 CHADMN COC[C@@H](C)N[C@H](C)c1csc(-c2ccccc2F)n1 ZINC000462799722 331329570 /nfs/dbraw/zinc/32/95/70/331329570.db2.gz WTHWWKUXEFUDGQ-GHMZBOCLSA-N 0 1 294.395 3.635 20 0 CHADMN Cc1cc(F)ccc1CN1CC(c2ccccc2F)C1 ZINC000462828445 331331646 /nfs/dbraw/zinc/33/16/46/331331646.db2.gz WCCYXQNSFZWKIJ-UHFFFAOYSA-N 0 1 273.326 3.873 20 0 CHADMN COc1ccc(F)cc1CN1CCS[C@H]2CCCC[C@H]21 ZINC000462938286 331335344 /nfs/dbraw/zinc/33/53/44/331335344.db2.gz BLHSNVDCISWQTB-ZBFHGGJFSA-N 0 1 295.423 3.694 20 0 CHADMN COc1ccc(F)cc1CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000462938284 331335347 /nfs/dbraw/zinc/33/53/47/331335347.db2.gz BLHSNVDCISWQTB-GOEBONIOSA-N 0 1 295.423 3.694 20 0 CHADMN CCC(C)(C)CCSc1nc(-c2ccccn2)n[nH]1 ZINC000463192090 331341813 /nfs/dbraw/zinc/34/18/13/331341813.db2.gz OSSQARWPCFCQDH-UHFFFAOYSA-N 0 1 276.409 3.785 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1C[C@H](C)CC[C@@H]1C ZINC000464822793 331369676 /nfs/dbraw/zinc/36/96/76/331369676.db2.gz NGPYCENRFDMZSA-YPMHNXCESA-N 0 1 294.826 3.707 20 0 CHADMN C[C@@H]1CCCN1CCOc1c(Cl)cccc1Cl ZINC000464840052 331370661 /nfs/dbraw/zinc/37/06/61/331370661.db2.gz SGYRCJNDXAXTDT-SNVBAGLBSA-N 0 1 274.191 3.857 20 0 CHADMN Cc1ccc(CCN2CCOC[C@@H]2c2ccccc2)cc1 ZINC000464840796 331370719 /nfs/dbraw/zinc/37/07/19/331370719.db2.gz AOAWGLGOBMOSGN-LJQANCHMSA-N 0 1 281.399 3.611 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nc2cc(F)ccc2o1 ZINC000464865479 331371890 /nfs/dbraw/zinc/37/18/90/331371890.db2.gz HCCMENMZRNIPPW-GFCCVEGCSA-N 0 1 262.328 3.731 20 0 CHADMN CCC[C@]1(C)CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000464891988 331372889 /nfs/dbraw/zinc/37/28/89/331372889.db2.gz KGGBISDXSQJRQX-QGZVFWFLSA-N 0 1 285.391 3.605 20 0 CHADMN CCc1ccc(CN[C@H]2COc3ccc(F)cc32)cc1 ZINC000466468638 331397880 /nfs/dbraw/zinc/39/78/80/331397880.db2.gz JBGZUMVLVOYWFX-INIZCTEOSA-N 0 1 271.335 3.611 20 0 CHADMN CCC[C@@H]1CCCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000466489513 331398417 /nfs/dbraw/zinc/39/84/17/331398417.db2.gz SIFSKRPRLYJQTE-GFCCVEGCSA-N 0 1 276.355 3.979 20 0 CHADMN COC(C)(C)CCN[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000469759315 331457025 /nfs/dbraw/zinc/45/70/25/331457025.db2.gz YAPLJEYBKSXKOR-ZDUSSCGKSA-N 0 1 288.391 3.807 20 0 CHADMN Fc1ccc(CN2CCC([C@H]3CCCO3)CC2)cc1Cl ZINC000469994512 331468937 /nfs/dbraw/zinc/46/89/37/331468937.db2.gz XXNWMZHBGQQBKF-MRXNPFEDSA-N 0 1 297.801 3.870 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](CO)c2ccsc2)cc(C)c1F ZINC000471615829 331513537 /nfs/dbraw/zinc/51/35/37/331513537.db2.gz XYLKVEDZNINIEN-IUODEOHRSA-N 0 1 293.407 3.888 20 0 CHADMN COc1ccc([C@@H](C)Nc2ccnc(C)c2Cl)cc1F ZINC000478186659 331700092 /nfs/dbraw/zinc/70/00/92/331700092.db2.gz YZWHSURNDPYGGF-SECBINFHSA-N 0 1 294.757 3.786 20 0 CHADMN CCCN1CCN(C(=O)[C@H](CC)CC2CCCCC2)CC1 ZINC000511134409 332928032 /nfs/dbraw/zinc/92/80/32/332928032.db2.gz JIPJLTLPVLLDKW-QGZVFWFLSA-N 0 1 294.483 3.537 20 0 CHADMN C[C@H](CNCc1cccc(Cl)c1F)C(F)(F)F ZINC000479579449 331738685 /nfs/dbraw/zinc/73/86/85/331738685.db2.gz NKTLDRCUPCAXAP-SSDOTTSWSA-N 0 1 269.669 3.767 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2CCC[C@H](C)[C@H]2C)no1 ZINC000481183577 331800407 /nfs/dbraw/zinc/80/04/07/331800407.db2.gz DCMAPOCPMHFTRX-JGGQBBKZSA-N 0 1 299.418 3.959 20 0 CHADMN CC/C=C\CCN[C@H](CO)c1c(Cl)cccc1Cl ZINC000483237411 331864092 /nfs/dbraw/zinc/86/40/92/331864092.db2.gz VSULBOAHZRZVSY-DHCBQETCSA-N 0 1 288.218 3.973 20 0 CHADMN CCC[C@H](CN[C@@H](C)c1nc(C)no1)c1ccccc1 ZINC000483339026 331870065 /nfs/dbraw/zinc/87/00/65/331870065.db2.gz LTAOGHGGXSRCGS-SWLSCSKDSA-N 0 1 273.380 3.613 20 0 CHADMN Cc1noc([C@@H](C)N[C@H](C)CC(C)(C)c2ccccc2)n1 ZINC000483340561 331870218 /nfs/dbraw/zinc/87/02/18/331870218.db2.gz KXMPDDRMHOSMTA-CHWSQXEVSA-N 0 1 287.407 3.785 20 0 CHADMN Cc1noc([C@@H](C)NC[C@H](C)CC2CCCCC2)n1 ZINC000483347331 331870504 /nfs/dbraw/zinc/87/05/04/331870504.db2.gz UYBVPPCXHMCZIC-VXGBXAGGSA-N 0 1 265.401 3.635 20 0 CHADMN C[C@H](CC1CCCC1)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000483655819 331880824 /nfs/dbraw/zinc/88/08/24/331880824.db2.gz QAKFGDTXCSTKNZ-NEPJUHHUSA-N 0 1 279.428 3.987 20 0 CHADMN C[C@H](CC1CCCC1)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000483655822 331880840 /nfs/dbraw/zinc/88/08/40/331880840.db2.gz QAKFGDTXCSTKNZ-VXGBXAGGSA-N 0 1 279.428 3.987 20 0 CHADMN CC(C)Oc1ccccc1CN1CC2(C1)CCCC2 ZINC000485294330 331911565 /nfs/dbraw/zinc/91/15/65/331911565.db2.gz PMHONGCSEPZOKV-UHFFFAOYSA-N 0 1 259.393 3.850 20 0 CHADMN CCCCCN(CCCCC)Cc1nnc2n1CCCC2 ZINC000486797879 331945561 /nfs/dbraw/zinc/94/55/61/331945561.db2.gz DYEUQZAZCOMFSH-UHFFFAOYSA-N 0 1 292.471 3.797 20 0 CHADMN Cc1cscc1CNCc1c(C)nn(C(C)(C)C)c1C ZINC000487165544 331957898 /nfs/dbraw/zinc/95/78/98/331957898.db2.gz NMTCBVORCQKDJB-UHFFFAOYSA-N 0 1 291.464 3.915 20 0 CHADMN CCCn1nc(C)c(CNCc2cscc2C)c1C ZINC000487204987 331959286 /nfs/dbraw/zinc/95/92/86/331959286.db2.gz PVGDLTQSBSLTDZ-UHFFFAOYSA-N 0 1 277.437 3.570 20 0 CHADMN Cc1csc([C@@H](NC/C=C/c2ccncc2)C2CC2)n1 ZINC000487301185 331964434 /nfs/dbraw/zinc/96/44/34/331964434.db2.gz XLZUYIMNYPBICI-FAAWYNLUSA-N 0 1 285.416 3.601 20 0 CHADMN COc1cccc(F)c1[C@H](C)NC/C=C\c1ccncc1 ZINC000487337893 331967045 /nfs/dbraw/zinc/96/70/45/331967045.db2.gz VFWHNOQIIUTTJO-ZFDPJTLLSA-N 0 1 286.350 3.593 20 0 CHADMN CSc1cc(CNCc2cc(Cl)cs2)ccn1 ZINC000487580487 331976343 /nfs/dbraw/zinc/97/63/43/331976343.db2.gz ZISBBHSRAHQQPN-UHFFFAOYSA-N 0 1 284.837 3.808 20 0 CHADMN C[C@H]1CSCCN(Cc2ccsc2Cl)C1 ZINC000488398953 332004032 /nfs/dbraw/zinc/00/40/32/332004032.db2.gz RKQDJWGMVNMXLL-SECBINFHSA-N 0 1 261.843 3.586 20 0 CHADMN CCc1nc(CN[C@H]2CS[C@@H](C(C)(C)C)C2)cs1 ZINC000488410038 332004925 /nfs/dbraw/zinc/00/49/25/332004925.db2.gz HQCVMYQKFRGRBE-ZYHUDNBSSA-N 0 1 284.494 3.715 20 0 CHADMN CC(C)Cn1ccnc1CN[C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488578513 332018711 /nfs/dbraw/zinc/01/87/11/332018711.db2.gz YVJNSTWTHHWUHJ-ZIAGYGMSSA-N 0 1 295.496 3.549 20 0 CHADMN CCC[C@@H](CC)NC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC000489982764 332075717 /nfs/dbraw/zinc/07/57/17/332075717.db2.gz YJCFNANNGKNNLK-SNVBAGLBSA-N 0 1 279.771 3.525 20 0 CHADMN Fc1ccccc1CNCc1ccc2c(c1)CCCC2 ZINC000490533720 332090594 /nfs/dbraw/zinc/09/05/94/332090594.db2.gz GDAMHNUBGLHHBH-UHFFFAOYSA-N 0 1 269.363 3.994 20 0 CHADMN COc1ccccc1CNCc1ccc2c(c1)CCCC2 ZINC000490557049 332091763 /nfs/dbraw/zinc/09/17/63/332091763.db2.gz OVLRFTLXBBNJCG-UHFFFAOYSA-N 0 1 281.399 3.864 20 0 CHADMN c1cc2c(c(CNCc3ccc4c(c3)CCCC4)c1)OCO2 ZINC000490634020 332098003 /nfs/dbraw/zinc/09/80/03/332098003.db2.gz YKOKREDHRPRYEY-UHFFFAOYSA-N 0 1 295.382 3.584 20 0 CHADMN Fc1ccc(Br)cc1CN1CC[C@@H](C2CC2)C1 ZINC000491116960 332151077 /nfs/dbraw/zinc/15/10/77/332151077.db2.gz MNQMHGNBPFRXRU-LLVKDONJSA-N 0 1 298.199 3.820 20 0 CHADMN Cc1ccc(CNCc2ccc(C3CC3)cc2F)cn1 ZINC000491587203 332241628 /nfs/dbraw/zinc/24/16/28/332241628.db2.gz VZOHENWAFSZQBJ-UHFFFAOYSA-N 0 1 270.351 3.696 20 0 CHADMN Fc1cc(C2CC2)ccc1CNCc1ccccc1 ZINC000491593940 332242059 /nfs/dbraw/zinc/24/20/59/332242059.db2.gz KZHWMVYRBFKUPJ-UHFFFAOYSA-N 0 1 255.336 3.993 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1ccsc1Cl ZINC000575368588 335098506 /nfs/dbraw/zinc/09/85/06/335098506.db2.gz LNXJOWAGNOZZSX-JTQLQIEISA-N 0 1 263.859 3.975 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1csc(C2CC2)n1 ZINC000172356463 335102501 /nfs/dbraw/zinc/10/25/01/335102501.db2.gz HGIFVPNGCJMLIQ-UHFFFAOYSA-N 0 1 294.763 3.632 20 0 CHADMN C[C@H]1C[C@H](CN(C)Cc2c(F)cccc2Cl)CCO1 ZINC000491821850 332370828 /nfs/dbraw/zinc/37/08/28/332370828.db2.gz MLBUXOFFFJSCGX-NWDGAFQWSA-N 0 1 285.790 3.726 20 0 CHADMN CCCc1nc(C)c(CNCc2ccccc2C)o1 ZINC000492337465 332393173 /nfs/dbraw/zinc/39/31/73/332393173.db2.gz YVCQZVBHGNNWOE-UHFFFAOYSA-N 0 1 258.365 3.534 20 0 CHADMN CCCC[C@@H]1CCC[C@@H]1N[C@H](C)c1nnc(CC)o1 ZINC000492819551 332414956 /nfs/dbraw/zinc/41/49/56/332414956.db2.gz SMCCXTKURQCOSU-UPJWGTAASA-N 0 1 265.401 3.642 20 0 CHADMN c1csc(-c2ncc(CN3CCCCC3)s2)c1 ZINC000092107254 334396171 /nfs/dbraw/zinc/39/61/71/334396171.db2.gz DEDGACTUZQMSPT-UHFFFAOYSA-N 0 1 264.419 3.858 20 0 CHADMN C/C(=C/c1ccccc1)CN[C@H]1COc2ccc(F)cc21 ZINC000500435667 332608962 /nfs/dbraw/zinc/60/89/62/332608962.db2.gz XXIMBPMKAQAGHV-GQPJMJRUSA-N 0 1 283.346 3.952 20 0 CHADMN CCc1ccc(-c2noc(CN3CCC[C@H](C)CC3)n2)cc1 ZINC000552449442 334328362 /nfs/dbraw/zinc/32/83/62/334328362.db2.gz CLGNJZNKVKEAEI-AWEZNQCLSA-N 0 1 299.418 3.921 20 0 CHADMN COC1(C)CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000500729106 332617112 /nfs/dbraw/zinc/61/71/12/332617112.db2.gz XQVXHFWAELXXRY-UHFFFAOYSA-N 0 1 288.218 3.994 20 0 CHADMN CC[C@@H]1C[C@@]1(NCc1cnoc1C)c1cccc(C)c1 ZINC000502591122 332666877 /nfs/dbraw/zinc/66/68/77/332666877.db2.gz KMPPMYBBYCENJM-WBVHZDCISA-N 0 1 270.376 3.706 20 0 CHADMN COc1cccc(OC)c1CNC/C=C\c1ccccc1 ZINC000511960575 332948832 /nfs/dbraw/zinc/94/88/32/332948832.db2.gz LXALEPLUXRBXIP-YFHOEESVSA-N 0 1 283.371 3.507 20 0 CHADMN C[C@@H](NC/C=C\c1ccc(F)c(F)c1)c1ccncc1F ZINC000512399573 332966782 /nfs/dbraw/zinc/96/67/82/332966782.db2.gz LNFUONRVUUUHKG-OTDNITJGSA-N 0 1 292.304 3.863 20 0 CHADMN C[C@@H]1CC[C@H]([NH2+]Cc2c(F)ccc([O-])c2F)C[C@H]1C ZINC000512478712 332970026 /nfs/dbraw/zinc/97/00/26/332970026.db2.gz DHDKTZPOHSVOFU-MXWKQRLJSA-N 0 1 269.335 3.585 20 0 CHADMN C[C@H](O)[C@@H]1CCN([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000305875684 333001663 /nfs/dbraw/zinc/00/16/63/333001663.db2.gz QJTLPJDRJSLZKU-JBLDHEPKSA-N 0 1 288.218 3.757 20 0 CHADMN CC[C@H]1CN(Cc2ncc(C)o2)CC[C@@H]1c1ccccc1 ZINC000174887512 333009897 /nfs/dbraw/zinc/00/98/97/333009897.db2.gz BNAJJEZDNRRZFB-RDJZCZTQSA-N 0 1 284.403 3.999 20 0 CHADMN CC[C@H]1[C@H](C)CCN1Cc1ccc(Br)o1 ZINC000306933529 333011245 /nfs/dbraw/zinc/01/12/45/333011245.db2.gz FZGRULRTTXMHLZ-KOLCDFICSA-N 0 1 272.186 3.663 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3ncc(-c4cccc(F)c4)o3)C[C@@H]21 ZINC000175268049 333018908 /nfs/dbraw/zinc/01/89/08/333018908.db2.gz IRBKLLHUVNQCFI-OKILXGFUSA-N 0 1 286.350 3.569 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@H](C)c1cc(C)ccn1 ZINC000513660088 333029969 /nfs/dbraw/zinc/02/99/69/333029969.db2.gz FPHNZPNVRPYUSQ-CZUORRHYSA-N 0 1 282.387 3.737 20 0 CHADMN C[C@@H]1CN(Cc2csc3ccccc23)CC(C)(C)O1 ZINC000513783911 333038915 /nfs/dbraw/zinc/03/89/15/333038915.db2.gz HQFFUXQVBYKTFW-GFCCVEGCSA-N 0 1 275.417 3.901 20 0 CHADMN CCCCN(Cc1ncnn1C(C)(C)C)C1CCCCC1 ZINC000513895637 333047941 /nfs/dbraw/zinc/04/79/41/333047941.db2.gz IVYNRRQDPPUEND-UHFFFAOYSA-N 0 1 292.471 3.968 20 0 CHADMN COC(=O)c1ccc(CN(C)[C@@H](C)c2ccccc2)s1 ZINC000176953657 333051152 /nfs/dbraw/zinc/05/11/52/333051152.db2.gz BIIHCQXYNCREIU-LBPRGKRZSA-N 0 1 289.400 3.728 20 0 CHADMN CCN(Cc1c(F)cccc1F)CC1CCCC1 ZINC000513959656 333055031 /nfs/dbraw/zinc/05/50/31/333055031.db2.gz QXAYKTRERQLRPN-UHFFFAOYSA-N 0 1 253.336 3.977 20 0 CHADMN COc1ccccc1C[N@@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000513967230 333055939 /nfs/dbraw/zinc/05/59/39/333055939.db2.gz GRTOSXPPEGVHSZ-CYBMUJFWSA-N 0 1 283.362 3.953 20 0 CHADMN CC[C@@H](C)CN(CC)Cc1nc(Cc2ccccc2)no1 ZINC000177854510 333064194 /nfs/dbraw/zinc/06/41/94/333064194.db2.gz KGXXSOGEOHPKCH-CQSZACIVSA-N 0 1 287.407 3.528 20 0 CHADMN C[C@@H]1CSC[C@H]1N[C@H](c1ccco1)c1ccccc1 ZINC000311572725 333069975 /nfs/dbraw/zinc/06/99/75/333069975.db2.gz RGFCMSYBTXBGLS-XPKDYRNWSA-N 0 1 273.401 3.710 20 0 CHADMN CC(C)(C)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000178638283 333076186 /nfs/dbraw/zinc/07/61/86/333076186.db2.gz RQGLJOOVCDCVJB-UHFFFAOYSA-N 0 1 285.269 3.566 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@@H]1C)c1nc(C(C)(C)C)no1 ZINC000178637586 333076215 /nfs/dbraw/zinc/07/62/15/333076215.db2.gz PFKSICYQKDTCPZ-SDDRHHMPSA-N 0 1 265.401 3.596 20 0 CHADMN C[C@H](CC(=O)Nc1cc(Cl)c(O)cc1F)n1cccc1 ZINC000521482190 333083047 /nfs/dbraw/zinc/08/30/47/333083047.db2.gz GQGQFGUWKOAGAJ-SECBINFHSA-N 0 1 296.729 3.576 20 0 CHADMN COc1cccc(CCCN2CCn3cccc3[C@@H]2C)c1 ZINC000172737698 335120085 /nfs/dbraw/zinc/12/00/85/335120085.db2.gz BQKVZTLXWGXPSN-HNNXBMFYSA-N 0 1 284.403 3.506 20 0 CHADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CCCc1cccc2ccccc21 ZINC000517241939 333095795 /nfs/dbraw/zinc/09/57/95/333095795.db2.gz XODHIJKMYVKTEH-WMLDXEAASA-N 0 1 297.398 3.567 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2cscc2Br)C1 ZINC000517262596 333096151 /nfs/dbraw/zinc/09/61/51/333096151.db2.gz XKAQVNPFGXMDIK-RKDXNWHRSA-N 0 1 274.227 3.741 20 0 CHADMN CCC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(C)c(C(=O)[O-])o1 ZINC000517380630 333098266 /nfs/dbraw/zinc/09/82/66/333098266.db2.gz CHVXGJYRTAGGNU-CYBMUJFWSA-N 0 1 279.380 3.687 20 0 CHADMN CCOC(=O)C(C)(C)CSc1nc2ccc(C)cc2[nH]1 ZINC000517412203 333099026 /nfs/dbraw/zinc/09/90/26/333099026.db2.gz NSQZSMPPTJSFTI-UHFFFAOYSA-N 0 1 292.404 3.553 20 0 CHADMN CCN(C(=O)c1cc(-c2ccoc2)n[nH]1)c1ccccc1C ZINC000517423996 333099029 /nfs/dbraw/zinc/09/90/29/333099029.db2.gz YBAUDVDBRNNRCJ-UHFFFAOYSA-N 0 1 295.342 3.645 20 0 CHADMN CCC[N@@H+](Cc1ccc(C)cc1)Cc1cnc(OC)nc1C ZINC000517542745 333101764 /nfs/dbraw/zinc/10/17/64/333101764.db2.gz NODQQIBOHZHDNR-UHFFFAOYSA-N 0 1 299.418 3.514 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNCC2=Cc3ccccc3OC2)o1 ZINC000520955731 333108342 /nfs/dbraw/zinc/10/83/42/333108342.db2.gz NBLMUYWBEIVXEW-GUYCJALGSA-N 0 1 295.382 3.969 20 0 CHADMN COC[C@@H](NCc1nc(C2CCCCC2)cs1)C(C)C ZINC000520957115 333108717 /nfs/dbraw/zinc/10/87/17/333108717.db2.gz OZJMAIRNERFFDA-CQSZACIVSA-N 0 1 296.480 3.951 20 0 CHADMN Cc1cc(-c2noc(CN(C(C)C)C(C)C)n2)ccc1F ZINC000183061289 333118851 /nfs/dbraw/zinc/11/88/51/333118851.db2.gz PZBKVCIPYLYKAY-UHFFFAOYSA-N 0 1 291.370 3.803 20 0 CHADMN CC[C@H](C)[C@H](C)C(=O)Nc1cccc(Cl)c1O ZINC000183771998 333122496 /nfs/dbraw/zinc/12/24/96/333122496.db2.gz XQXHWPVZPJWALI-IUCAKERBSA-N 0 1 255.745 3.666 20 0 CHADMN C[C@H](C[N@@H+](CC(=O)[O-])C1CCCC1)C1CCCCC1 ZINC000311703252 333125548 /nfs/dbraw/zinc/12/55/48/333125548.db2.gz MKNWTAIMFOTKJY-CYBMUJFWSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@@H](N[C@H](C)c1cncc(C)c1)c1c(C)noc1C ZINC000184422882 333128512 /nfs/dbraw/zinc/12/85/12/333128512.db2.gz QBDTVOVUYIPESO-IAQYHMDHSA-N 0 1 273.380 3.797 20 0 CHADMN Cc1nc(CN2CCC[C@@H](C)[C@@H]2C)nc2ccccc12 ZINC000172863859 335123818 /nfs/dbraw/zinc/12/38/18/335123818.db2.gz UAIMPPKFIFNZCH-OCCSQVGLSA-N 0 1 269.392 3.559 20 0 CHADMN CC[C@H](c1ccccc1)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000185262430 333137962 /nfs/dbraw/zinc/13/79/62/333137962.db2.gz YEBFIYLEAGVLSX-OXQOHEQNSA-N 0 1 293.476 3.761 20 0 CHADMN CC[C@H](N[C@H](C)c1nccnc1C)c1ccc(C)cc1 ZINC000219078643 333141236 /nfs/dbraw/zinc/14/12/36/333141236.db2.gz WJWMASVQCLKXOU-ZBFHGGJFSA-N 0 1 269.392 3.895 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nccnc1C)c1ccc(C)cc1 ZINC000219078404 333141336 /nfs/dbraw/zinc/14/13/36/333141336.db2.gz WJWMASVQCLKXOU-GOEBONIOSA-N 0 1 269.392 3.895 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H](c1ccccc1)C(C)C ZINC000219086372 333141354 /nfs/dbraw/zinc/14/13/54/333141354.db2.gz SXVUZCBWMIDDLW-ZBFHGGJFSA-N 0 1 269.392 3.833 20 0 CHADMN CC[C@H](N[C@@H](C)c1nccnc1C)c1ccccc1 ZINC000219121504 333142061 /nfs/dbraw/zinc/14/20/61/333142061.db2.gz KOJCUJFGGFSNJL-ZFWWWQNUSA-N 0 1 255.365 3.587 20 0 CHADMN CC[C@@H]1[C@H](C)CCN1Cc1nc(Cc2ccccc2C)no1 ZINC000185615404 333144968 /nfs/dbraw/zinc/14/49/68/333144968.db2.gz FAIRCWWALRXGRC-GDBMZVCRSA-N 0 1 299.418 3.589 20 0 CHADMN Cc1ccccc1CNC(C)(C)c1nc2ccccc2n1C ZINC000185637898 333145779 /nfs/dbraw/zinc/14/57/79/333145779.db2.gz GJTOVNZTKGKYSW-UHFFFAOYSA-N 0 1 293.414 3.907 20 0 CHADMN CC(C)c1noc(CN2CCC[C@@]2(C)Cc2ccccc2)n1 ZINC000186053339 333154323 /nfs/dbraw/zinc/15/43/23/333154323.db2.gz HJVDUSNVUKJQPX-SFHVURJKSA-N 0 1 299.418 3.790 20 0 CHADMN COc1ncccc1CN[C@H]1CCCc2c(C)ccc(C)c21 ZINC000186102932 333155080 /nfs/dbraw/zinc/15/50/80/333155080.db2.gz YCKYFDIMAAEDDG-KRWDZBQOSA-N 0 1 296.414 3.874 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@H](O)C2CCCCC2)cs1 ZINC000186313868 333158372 /nfs/dbraw/zinc/15/83/72/333158372.db2.gz NLHMOYIHIXSQFM-DOMZBBRYSA-N 0 1 296.480 3.858 20 0 CHADMN Clc1ccccc1CN1CC[C@]2(C1)OCc1ccccc12 ZINC000186435669 333160899 /nfs/dbraw/zinc/16/08/99/333160899.db2.gz VSSMIQBLSILDAL-GOSISDBHSA-N 0 1 299.801 3.971 20 0 CHADMN COCC1CCN([C@H](C)c2cccc(Cl)c2F)CC1 ZINC000187028808 333167501 /nfs/dbraw/zinc/16/75/01/333167501.db2.gz KQHFSPVLSZSKMP-LLVKDONJSA-N 0 1 285.790 3.899 20 0 CHADMN CCOC[C@@H]1CCN([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000187115497 333167946 /nfs/dbraw/zinc/16/79/46/333167946.db2.gz JYASUMHHEDFRIO-NWDGAFQWSA-N 0 1 285.790 3.899 20 0 CHADMN Cc1nc(SCCCCCO)[nH]c1-c1ccccc1 ZINC000187118136 333168157 /nfs/dbraw/zinc/16/81/57/333168157.db2.gz ZZZQCORKDQJWQH-UHFFFAOYSA-N 0 1 276.405 3.640 20 0 CHADMN COC1(CNCc2csc(C(C)(C)C)n2)CCCCC1 ZINC000187443858 333171106 /nfs/dbraw/zinc/17/11/06/333171106.db2.gz MXBGEVCRADNZAA-UHFFFAOYSA-N 0 1 296.480 3.880 20 0 CHADMN C[N@H+]1CC[C@H](CSc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000187676434 333173731 /nfs/dbraw/zinc/17/37/31/333173731.db2.gz HSTKEDCWTJIAMG-NSHDSACASA-N 0 1 292.379 3.525 20 0 CHADMN Cc1nnsc1CN[C@@H](C)c1ccc(C2CC2)cc1 ZINC000575872078 335126758 /nfs/dbraw/zinc/12/67/58/335126758.db2.gz FCNGKNQBLODAOO-JTQLQIEISA-N 0 1 273.405 3.575 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)CC3=CCCCC3)n2)cc1 ZINC000521648357 333181184 /nfs/dbraw/zinc/18/11/84/333181184.db2.gz VNQVSKBTAYDRDO-UHFFFAOYSA-N 0 1 296.374 3.609 20 0 CHADMN Clc1sccc1CN1CC[C@H](c2cccnc2)C1 ZINC000521877047 333195095 /nfs/dbraw/zinc/19/50/95/333195095.db2.gz SRYRENQEIFOHFE-LBPRGKRZSA-N 0 1 278.808 3.786 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccc(C(F)F)cc1 ZINC000521886690 333195793 /nfs/dbraw/zinc/19/57/93/333195793.db2.gz HKKPQJAAGXOPNF-UHFFFAOYSA-N 0 1 285.334 3.557 20 0 CHADMN CCC1CCN(Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000521888682 333195813 /nfs/dbraw/zinc/19/58/13/333195813.db2.gz GRTGEHQWRDOYEL-UHFFFAOYSA-N 0 1 295.810 3.733 20 0 CHADMN CC1(C)C[N@@H+](CCc2ccccn2)CC[C@H]1C(F)(F)F ZINC000190156610 333203597 /nfs/dbraw/zinc/20/35/97/333203597.db2.gz HKJBYMWVMKMBOH-CYBMUJFWSA-N 0 1 286.341 3.535 20 0 CHADMN C[C@H]1CSCCN(Cc2ccc(Cl)s2)C1 ZINC000190423360 333206915 /nfs/dbraw/zinc/20/69/15/333206915.db2.gz KLXOKHCTPVNDLT-SECBINFHSA-N 0 1 261.843 3.586 20 0 CHADMN Oc1cc(F)cc(CN2CCC[C@@H]2c2ccccc2)c1 ZINC000223750294 333211939 /nfs/dbraw/zinc/21/19/39/333211939.db2.gz QSJGIGQLYFZBGV-QGZVFWFLSA-N 0 1 271.335 3.868 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1csc(Cl)c1 ZINC000191334188 333218355 /nfs/dbraw/zinc/21/83/55/333218355.db2.gz ZENZNAMZTSIPLD-JFGNBEQYSA-N 0 1 284.856 3.677 20 0 CHADMN CCCc1noc(CN[C@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000191361054 333218549 /nfs/dbraw/zinc/21/85/49/333218549.db2.gz UEGBTRZIISSPTO-CVEARBPZSA-N 0 1 299.418 3.523 20 0 CHADMN Cc1c([C@H](C)NCc2cncc(C)c2)cnn1C(C)(C)C ZINC000191398302 333219328 /nfs/dbraw/zinc/21/93/28/333219328.db2.gz VAMQJEDBUWJKLO-ZDUSSCGKSA-N 0 1 286.423 3.501 20 0 CHADMN CCCC[C@@H](CC)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000191570724 333221601 /nfs/dbraw/zinc/22/16/01/333221601.db2.gz HZBUKAJMZGZARR-NWDGAFQWSA-N 0 1 267.417 3.987 20 0 CHADMN C[C@@H](N[C@H]1CCCC1(C)C)c1nc(Cc2ccccc2)no1 ZINC000191597084 333222054 /nfs/dbraw/zinc/22/20/54/333222054.db2.gz CDGIRTZVDJTDBI-HIFRSBDPSA-N 0 1 299.418 3.890 20 0 CHADMN CCSCC[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000191662966 333223014 /nfs/dbraw/zinc/22/30/14/333223014.db2.gz QTHRQDVLJITUMU-JTQLQIEISA-N 0 1 269.376 3.650 20 0 CHADMN C[C@H]1CCN(Cc2ccccc2OC(F)F)CCS1 ZINC000192175875 333231641 /nfs/dbraw/zinc/23/16/41/333231641.db2.gz FMLNPBWCMBFBFC-NSHDSACASA-N 0 1 287.375 3.615 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCS[C@H](C)CC1 ZINC000192180888 333231877 /nfs/dbraw/zinc/23/18/77/333231877.db2.gz WQGREWLOAGYLMW-MNOVXSKESA-N 0 1 271.376 3.853 20 0 CHADMN C[N@H+](Cc1cc(F)ccc1Br)CC1CCC1 ZINC000522068713 333237998 /nfs/dbraw/zinc/23/79/98/333237998.db2.gz BMWDXLZMTYBICQ-UHFFFAOYSA-N 0 1 286.188 3.820 20 0 CHADMN CN(Cc1cc(F)ccc1Br)CC1CCC1 ZINC000522068713 333238000 /nfs/dbraw/zinc/23/80/00/333238000.db2.gz BMWDXLZMTYBICQ-UHFFFAOYSA-N 0 1 286.188 3.820 20 0 CHADMN CC[C@@H]1CCCN1Cc1csc(Br)c1 ZINC000522083456 333239279 /nfs/dbraw/zinc/23/92/79/333239279.db2.gz WOYAZBRPCDKUNM-SNVBAGLBSA-N 0 1 274.227 3.885 20 0 CHADMN CC[C@@H]1CN(CCCOc2cc(C)cc(C)c2)C[C@H](C)O1 ZINC000522083327 333239316 /nfs/dbraw/zinc/23/93/16/333239316.db2.gz OEPMNRQXXDSDNP-DLBZAZTESA-N 0 1 291.435 3.572 20 0 CHADMN Fc1ccc(CNCc2cnc(-c3ccco3)s2)cc1 ZINC000192975019 333241004 /nfs/dbraw/zinc/24/10/04/333241004.db2.gz CDOFBPCFOBNERD-UHFFFAOYSA-N 0 1 288.347 3.832 20 0 CHADMN C[C@@H](N[C@@H]1COCc2ccccc21)c1ccccc1 ZINC000225973832 333243860 /nfs/dbraw/zinc/24/38/60/333243860.db2.gz LVXNRBATFWXSAH-CXAGYDPISA-N 0 1 253.345 3.609 20 0 CHADMN CCCCCN(Cc1nnc(C2CC2)n1C)[C@@H](C)CCC ZINC000195111820 333245699 /nfs/dbraw/zinc/24/56/99/333245699.db2.gz LJRGQVLRKTUZKK-AWEZNQCLSA-N 0 1 292.471 3.873 20 0 CHADMN CCCCCN(Cc1nnc(C)n1CC)[C@@H](C)CCC ZINC000195111883 333245836 /nfs/dbraw/zinc/24/58/36/333245836.db2.gz XIQWUNRDOAWAMJ-AWEZNQCLSA-N 0 1 280.460 3.787 20 0 CHADMN COc1cnccc1[C@H](C)NCc1cc(Cl)cs1 ZINC000193242233 333246209 /nfs/dbraw/zinc/24/62/09/333246209.db2.gz QPNHNEPCNCYFHV-VIFPVBQESA-N 0 1 282.796 3.656 20 0 CHADMN CCCCc1ccc(NC(=O)[C@@H]2CCC[N@H+]2CCC)cc1 ZINC000522213982 333264992 /nfs/dbraw/zinc/26/49/92/333264992.db2.gz BSXYYKVLLCJAOI-KRWDZBQOSA-N 0 1 288.435 3.842 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227818101 333288876 /nfs/dbraw/zinc/28/88/76/333288876.db2.gz ULWRBGAWANHBTH-PBFPGSCMSA-N 0 1 283.371 3.553 20 0 CHADMN O=C(Nc1ccc(Cl)c(F)c1)c1c(O)cccc1F ZINC000228838511 333297786 /nfs/dbraw/zinc/29/77/86/333297786.db2.gz LBBKVUQJIDSPGU-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN C[C@@H](NC(c1cccs1)c1cccs1)c1cn[nH]c1 ZINC000229628213 333306855 /nfs/dbraw/zinc/30/68/55/333306855.db2.gz DOHKDZGYSUEOIV-SNVBAGLBSA-N 0 1 289.429 3.973 20 0 CHADMN Cc1cnccc1CN[C@H]1CCSc2c(F)cccc21 ZINC000229660124 333307110 /nfs/dbraw/zinc/30/71/10/333307110.db2.gz RDRSVLLIXLDVRY-HNNXBMFYSA-N 0 1 288.391 3.856 20 0 CHADMN Cc1cnccc1CN[C@@H]1CCSc2c(F)cccc21 ZINC000229660115 333307144 /nfs/dbraw/zinc/30/71/44/333307144.db2.gz RDRSVLLIXLDVRY-OAHLLOKOSA-N 0 1 288.391 3.856 20 0 CHADMN C[C@@H](NC(c1ccccc1)c1ccccc1)c1cn[nH]c1 ZINC000229637507 333307176 /nfs/dbraw/zinc/30/71/76/333307176.db2.gz HQABFJVKUCNRET-CQSZACIVSA-N 0 1 277.371 3.850 20 0 CHADMN CCOc1ccc2nc(SCCCC(=O)CC)[nH]c2c1 ZINC000230820636 333321740 /nfs/dbraw/zinc/32/17/40/333321740.db2.gz HBBLLYRPZDUYKP-UHFFFAOYSA-N 0 1 292.404 3.813 20 0 CHADMN CCN(Cc1ccc(F)cc1Br)C1CCC1 ZINC000523439532 333326896 /nfs/dbraw/zinc/32/68/96/333326896.db2.gz BEXSPNSFCCGFPZ-UHFFFAOYSA-N 0 1 286.188 3.963 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@@H](C)c2ncc(C)o2)C12CCCCC2 ZINC000231738616 333328881 /nfs/dbraw/zinc/32/88/81/333328881.db2.gz YLVOBGLQMJKZTH-SOUVJXGZSA-N 0 1 292.423 3.762 20 0 CHADMN CC(C)CCc1nc(CN(C)CC2CCC2)cs1 ZINC000523636875 333334598 /nfs/dbraw/zinc/33/45/98/333334598.db2.gz VZWYKMSEPIAPSA-UHFFFAOYSA-N 0 1 266.454 3.964 20 0 CHADMN CC[C@H]1CN(CCCOc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000303424724 333342033 /nfs/dbraw/zinc/34/20/33/333342033.db2.gz AJXPYCPTBGANPC-HIFRSBDPSA-N 0 1 297.826 3.608 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN(C)CC(C)(C)C ZINC000524026574 333351924 /nfs/dbraw/zinc/35/19/24/333351924.db2.gz DVEPELDDJOKXFZ-UHFFFAOYSA-N 0 1 276.424 3.726 20 0 CHADMN CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000233894014 333355709 /nfs/dbraw/zinc/35/57/09/333355709.db2.gz CVJLNIDNHAVCGE-WBVHZDCISA-N 0 1 293.382 3.710 20 0 CHADMN COC[C@H](N[C@H](C)c1cc(C)oc1C)c1ccccc1 ZINC000234737304 333361869 /nfs/dbraw/zinc/36/18/69/333361869.db2.gz LDZWVAQQBAJTHF-DYVFJYSZSA-N 0 1 273.376 3.935 20 0 CHADMN CCc1ccc(NCc2ccc3nc[nH]c3c2)cc1 ZINC000524460342 333362694 /nfs/dbraw/zinc/36/26/94/333362694.db2.gz ORHIKVNVPVODGZ-UHFFFAOYSA-N 0 1 251.333 3.737 20 0 CHADMN O=C(CCC1CCCC1)Nc1cccc(Cl)c1O ZINC000524505461 333363781 /nfs/dbraw/zinc/36/37/81/333363781.db2.gz BSNSOKDQAIZPAE-UHFFFAOYSA-N 0 1 267.756 3.955 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1coc2ccccc12 ZINC000316331341 333388085 /nfs/dbraw/zinc/38/80/85/333388085.db2.gz OJXQMGJCXBSGIO-KCXAZCMYSA-N 0 1 299.370 3.651 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2ncc(-c3cccs3)o2)C1 ZINC000524892779 333392263 /nfs/dbraw/zinc/39/22/63/333392263.db2.gz MXPWEJJKXJVZGS-GHMZBOCLSA-N 0 1 262.378 3.633 20 0 CHADMN CN(CCC1CCCC1)CC(=O)Nc1cccc(Cl)c1 ZINC000525120676 333399428 /nfs/dbraw/zinc/39/94/28/333399428.db2.gz MUDNMTRZCWHQER-UHFFFAOYSA-N 0 1 294.826 3.791 20 0 CHADMN CC[C@](C)(CN[C@H](c1ccccc1)c1ccccn1)OC ZINC000322507784 333413839 /nfs/dbraw/zinc/41/38/39/333413839.db2.gz HZOJEDBUSGNREU-QZTJIDSGSA-N 0 1 284.403 3.576 20 0 CHADMN Cc1noc([C@H](C)N[C@@H](C)[C@H](C)C2CCCCC2)n1 ZINC000525995656 333417615 /nfs/dbraw/zinc/41/76/15/333417615.db2.gz DSIUUBMLQWYDBU-SRVKXCTJSA-N 0 1 265.401 3.634 20 0 CHADMN CC[C@H](NCc1cc(CO)ccc1F)c1ccccc1 ZINC000528519852 333443820 /nfs/dbraw/zinc/44/38/20/333443820.db2.gz KFPOGLWVQBYUBC-KRWDZBQOSA-N 0 1 273.351 3.559 20 0 CHADMN COCCC1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000528573860 333446641 /nfs/dbraw/zinc/44/66/41/333446641.db2.gz NDNLQSQPQMTXCG-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN OC[C@@H](NCc1ccc(C2CCC2)cc1)c1ccc(F)cc1 ZINC000576006542 335141047 /nfs/dbraw/zinc/14/10/47/335141047.db2.gz FEASJBZLIYCKDE-LJQANCHMSA-N 0 1 299.389 3.916 20 0 CHADMN CC[C@@H](NCc1cnoc1C)c1cc(C)ccc1C ZINC000528800439 333458854 /nfs/dbraw/zinc/45/88/54/333458854.db2.gz REJBELFVIRGRAI-MRXNPFEDSA-N 0 1 258.365 3.841 20 0 CHADMN [O-]c1cccc(C[NH2+]CC2(C3CC3)CCC2)c1Cl ZINC000339313929 335143401 /nfs/dbraw/zinc/14/34/01/335143401.db2.gz FCHGDZJGMSISGM-UHFFFAOYSA-N 0 1 265.784 3.716 20 0 CHADMN CS[C@@H]1CCC[C@H]([NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000328315223 333516830 /nfs/dbraw/zinc/51/68/30/333516830.db2.gz CEOZZLXQPTUARW-NWDGAFQWSA-N 0 1 285.840 3.809 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccc1F)c1ccc2c(c1)OCO2 ZINC000037508345 333534607 /nfs/dbraw/zinc/53/46/07/333534607.db2.gz OVKHUEHSUXMQBX-VXGBXAGGSA-N 0 1 287.334 3.966 20 0 CHADMN CN(CCc1cccs1)Cc1cccc(F)c1F ZINC000174157245 335149545 /nfs/dbraw/zinc/14/95/45/335149545.db2.gz UQJCMEZGNOCIEA-UHFFFAOYSA-N 0 1 267.344 3.701 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccc(C)cn2)cc1 ZINC000126936775 333614077 /nfs/dbraw/zinc/61/40/77/333614077.db2.gz JXUXJVTXYGHNMN-AWEZNQCLSA-N 0 1 254.377 3.803 20 0 CHADMN Cc1cccc(CN[C@H]2c3cccc(F)c3CC[C@@H]2C)n1 ZINC000127211103 333623234 /nfs/dbraw/zinc/62/32/34/333623234.db2.gz OXLOPWBIFAONJJ-KPZWWZAWSA-N 0 1 284.378 3.942 20 0 CHADMN Cc1cccc(CN[C@@H]2CSCCc3ccccc32)n1 ZINC000127305195 333625960 /nfs/dbraw/zinc/62/59/60/333625960.db2.gz VMRDWCLAMSXFAN-QGZVFWFLSA-N 0 1 284.428 3.510 20 0 CHADMN C[C@@H](NCC1(c2ccc(F)cc2F)CC1)c1cscn1 ZINC000539051224 333651769 /nfs/dbraw/zinc/65/17/69/333651769.db2.gz BCZAWDJYMOYKBZ-SNVBAGLBSA-N 0 1 294.370 3.804 20 0 CHADMN C[C@@H](N[C@H](CO)c1cccc(F)c1)c1ccc(Cl)s1 ZINC000539084085 333656378 /nfs/dbraw/zinc/65/63/78/333656378.db2.gz NYSDCFCWGPAXDX-BXKDBHETSA-N 0 1 299.798 3.925 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(-n3cccn3)cc2)o1 ZINC000174436215 335155089 /nfs/dbraw/zinc/15/50/89/335155089.db2.gz QDFMJTJVICAIIR-AWEZNQCLSA-N 0 1 281.359 3.625 20 0 CHADMN COc1ccccc1[C@@H](CO)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000540183028 333718578 /nfs/dbraw/zinc/71/85/78/333718578.db2.gz OPUZXZQAVXCTMO-MAUKXSAKSA-N 0 1 299.414 3.696 20 0 CHADMN CC[C@H](N[C@H](CO)c1cccc(F)c1)c1cccs1 ZINC000540184978 333719020 /nfs/dbraw/zinc/71/90/20/333719020.db2.gz XVTCPRNKIZVLIV-UONOGXRCSA-N 0 1 279.380 3.662 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccc(OC)cc1C ZINC000540953912 333755342 /nfs/dbraw/zinc/75/53/42/333755342.db2.gz UIRWWNFSDITKDR-AWEZNQCLSA-N 0 1 284.403 3.812 20 0 CHADMN Cc1c(C)c(C)c(CN[C@H](C)c2ncc[nH]2)c(C)c1C ZINC000576129587 335158768 /nfs/dbraw/zinc/15/87/68/335158768.db2.gz FJKHOQLNNWROMH-OAHLLOKOSA-N 0 1 271.408 3.803 20 0 CHADMN C[C@@H](NCCC1C[C@H](C)C[C@@H](C)C1)c1ccon1 ZINC000541719143 333788129 /nfs/dbraw/zinc/78/81/29/333788129.db2.gz YUTXHPWFNUOWSC-JHJVBQTASA-N 0 1 250.386 3.788 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1)N[C@@H](C)c1ccon1 ZINC000541771428 333791529 /nfs/dbraw/zinc/79/15/29/333791529.db2.gz IGGMXDNSLFICDT-QWRGUYRKSA-N 0 1 264.756 3.610 20 0 CHADMN CC(C)Oc1ccccc1NC(=O)c1c(O)cccc1F ZINC000130179701 333822510 /nfs/dbraw/zinc/82/25/10/333822510.db2.gz ZJQNWECKTHLYFG-UHFFFAOYSA-N 0 1 289.306 3.571 20 0 CHADMN CCCc1noc(CN[C@H](C)[C@H](C)C2CCCCC2)n1 ZINC000542530578 333831036 /nfs/dbraw/zinc/83/10/36/333831036.db2.gz FSYPEODVSDNPHC-QWHCGFSZSA-N 0 1 279.428 3.717 20 0 CHADMN CCc1cnc(CN[C@H](C)[C@@H](C)c2ccccc2)o1 ZINC000542538951 333831297 /nfs/dbraw/zinc/83/12/97/333831297.db2.gz QJQVUQGWUZFGMH-CHWSQXEVSA-N 0 1 258.365 3.519 20 0 CHADMN Cc1cncc(CN[C@@H](C)c2ccc(Cl)s2)c1 ZINC000130493502 333844889 /nfs/dbraw/zinc/84/48/89/333844889.db2.gz XITBEOKSCSZTQG-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN CC1(c2noc(-c3ccc4[nH]c(C(F)F)nc4c3)n2)CC1 ZINC000576199486 335168392 /nfs/dbraw/zinc/16/83/92/335168392.db2.gz MXJDJGPZAZWVER-UHFFFAOYSA-N 0 1 290.273 3.602 20 0 CHADMN Fc1cc2cccnc2c(CN2CCc3ccsc3C2)c1 ZINC000132821106 334006677 /nfs/dbraw/zinc/00/66/77/334006677.db2.gz LOTVDNZFBMQYKK-UHFFFAOYSA-N 0 1 298.386 3.994 20 0 CHADMN C[C@@H](c1cnccn1)N1CCC(c2ccccc2F)CC1 ZINC000545937955 334007774 /nfs/dbraw/zinc/00/77/74/334007774.db2.gz ZBFKTTRAPWJWRK-ZDUSSCGKSA-N 0 1 285.366 3.556 20 0 CHADMN FCCCN1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133047542 334014324 /nfs/dbraw/zinc/01/43/24/334014324.db2.gz YUIMBVDCEVGYOR-LBPRGKRZSA-N 0 1 271.763 3.543 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@H](C)c1nc2ccccc2n1C ZINC000546167258 334018035 /nfs/dbraw/zinc/01/80/35/334018035.db2.gz YBFPJUPXAVXOTC-GHMZBOCLSA-N 0 1 299.340 3.955 20 0 CHADMN CC(C)(O)CCNC1(c2c(Cl)cccc2Cl)CC1 ZINC000546611865 334040102 /nfs/dbraw/zinc/04/01/02/334040102.db2.gz VTJQOAKVYHVWSE-UHFFFAOYSA-N 0 1 288.218 3.733 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H]2COc3ccc(F)cc32)s1 ZINC000546649208 334043604 /nfs/dbraw/zinc/04/36/04/334043604.db2.gz NYURJRYVCCRAAX-ZWNOBZJWSA-N 0 1 277.364 3.980 20 0 CHADMN C[C@@H](c1ccco1)N(C)Cc1ccccc1N(C)C ZINC000075674469 334048690 /nfs/dbraw/zinc/04/86/90/334048690.db2.gz HNYFEEZEHWLQEY-ZDUSSCGKSA-N 0 1 258.365 3.539 20 0 CHADMN CCS[C@H]1CCCCN(Cc2ccncc2Cl)C1 ZINC000075739122 334049787 /nfs/dbraw/zinc/04/97/87/334049787.db2.gz YPUKTIJWZONLHK-ZDUSSCGKSA-N 0 1 284.856 3.843 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N(C)Cc1cc(C)on1 ZINC000075886089 334057206 /nfs/dbraw/zinc/05/72/06/334057206.db2.gz KHPJKLFKCMKBKR-QGZVFWFLSA-N 0 1 272.392 3.745 20 0 CHADMN Cc1cc(-c2noc(C3CCCCC3)n2)cc2nc[nH]c21 ZINC000547137319 334068604 /nfs/dbraw/zinc/06/86/04/334068604.db2.gz HCNVPBGJTUTSAH-UHFFFAOYSA-N 0 1 282.347 3.969 20 0 CHADMN C[C@H]1CCCN1Cc1csc(-c2ccccc2F)n1 ZINC000076114909 334073137 /nfs/dbraw/zinc/07/31/37/334073137.db2.gz KRZWCEDZDUTTGR-NSHDSACASA-N 0 1 276.380 3.934 20 0 CHADMN Fc1cccc(C2(NCc3cnc(C4CC4)s3)CC2)c1 ZINC000134351801 334088700 /nfs/dbraw/zinc/08/87/00/334088700.db2.gz BPGTZMWNQHHIIK-UHFFFAOYSA-N 0 1 288.391 3.939 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)C3CC=CC3)cc2[nH]1 ZINC000076955913 334091838 /nfs/dbraw/zinc/09/18/38/334091838.db2.gz KYAINMWXMYHSOY-UHFFFAOYSA-N 0 1 283.375 3.765 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)[C@H](C)C1 ZINC000564322090 334091856 /nfs/dbraw/zinc/09/18/56/334091856.db2.gz DGKRHOSAVZYMPY-HUUCEWRRSA-N 0 1 281.403 3.764 20 0 CHADMN CCC[C@H]1CCCC[C@H]1NCc1nc(CC(C)C)no1 ZINC000547509016 334096381 /nfs/dbraw/zinc/09/63/81/334096381.db2.gz PQQCLQJWOQWJRE-UONOGXRCSA-N 0 1 279.428 3.717 20 0 CHADMN CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccon1 ZINC000077272863 334100773 /nfs/dbraw/zinc/10/07/73/334100773.db2.gz RNSLVSYQESBTQC-IRXDYDNUSA-N 0 1 270.376 3.833 20 0 CHADMN C[C@H]1CCCCCN1Cc1cnc2ccc(Cl)cn12 ZINC000547604765 334102327 /nfs/dbraw/zinc/10/23/27/334102327.db2.gz GCXKEQQAZSCPPG-LBPRGKRZSA-N 0 1 277.799 3.752 20 0 CHADMN COc1ccc(F)cc1CNCc1cc(C)sc1C ZINC000547664671 334107338 /nfs/dbraw/zinc/10/73/38/334107338.db2.gz LPFWLMYEEHMJIL-UHFFFAOYSA-N 0 1 279.380 3.802 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CC[C@H](CC)C1 ZINC000134984035 334110698 /nfs/dbraw/zinc/11/06/98/334110698.db2.gz RFPKAOMBZURVGW-AWEZNQCLSA-N 0 1 275.392 3.520 20 0 CHADMN COc1ccc(CN2C[C@@H](C)C[C@H]2C)cc1Br ZINC000134990098 334111070 /nfs/dbraw/zinc/11/10/70/334111070.db2.gz RNNRXHLDSSXGCJ-WDEREUQCSA-N 0 1 298.224 3.688 20 0 CHADMN COc1cccc(F)c1[C@@H](C)NCCOc1ccccc1 ZINC000135091499 334115258 /nfs/dbraw/zinc/11/52/58/334115258.db2.gz CRVTXGFCUAVEGP-CYBMUJFWSA-N 0 1 289.350 3.564 20 0 CHADMN C[C@@H](c1cccc(Br)c1)N1[C@H](C)C[C@H]1C ZINC000547768768 334116333 /nfs/dbraw/zinc/11/63/33/334116333.db2.gz QYKGTYXINBVXPX-MXWKQRLJSA-N 0 1 268.198 3.993 20 0 CHADMN Fc1ccc(/C=C\CN2CCCc3occc3C2)cc1 ZINC000564330315 334115418 /nfs/dbraw/zinc/11/54/18/334115418.db2.gz NRJJFLRRBSRHJB-IWQZZHSRSA-N 0 1 271.335 3.880 20 0 CHADMN Cc1cc(Br)ccc1CN1[C@H](C)C[C@H]1C ZINC000547770151 334116234 /nfs/dbraw/zinc/11/62/34/334116234.db2.gz QHIJLRWANPKPDT-GHMZBOCLSA-N 0 1 268.198 3.740 20 0 CHADMN COc1ccccc1CNCc1cccc2c1OC(C)(C)C2 ZINC000078005621 334120378 /nfs/dbraw/zinc/12/03/78/334120378.db2.gz SVGBBFGIUPYVSQ-UHFFFAOYSA-N 0 1 297.398 3.699 20 0 CHADMN C[C@H](O)[C@@H]1CCCN([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000547833802 334125077 /nfs/dbraw/zinc/12/50/77/334125077.db2.gz LDULALABYQFRLW-SDDRHHMPSA-N 0 1 285.790 3.633 20 0 CHADMN Cc1ccc(C)c(NC(=O)c2cn[nH]c2-c2ccccc2)c1 ZINC000078272824 334129673 /nfs/dbraw/zinc/12/96/73/334129673.db2.gz XRTJDZZDUQQVLV-UHFFFAOYSA-N 0 1 291.354 3.946 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000547970425 334132256 /nfs/dbraw/zinc/13/22/56/334132256.db2.gz JSMVTWNNDQQLLE-MRXNPFEDSA-N 0 1 279.811 3.731 20 0 CHADMN Cc1nc(CNC(C)(C)CCc2ccccc2)oc1C ZINC000135594472 334134008 /nfs/dbraw/zinc/13/40/08/334134008.db2.gz YKJOGFBEHAZKIO-UHFFFAOYSA-N 0 1 272.392 3.792 20 0 CHADMN CC[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1C ZINC000240615417 334139513 /nfs/dbraw/zinc/13/95/13/334139513.db2.gz AASWUXOPJWSAOP-CQSZACIVSA-N 0 1 294.826 3.851 20 0 CHADMN O=C(CC1CCCCC1)Nc1cccc(Cl)c1O ZINC000078732049 334139893 /nfs/dbraw/zinc/13/98/93/334139893.db2.gz XPJONTHEJOGBDL-UHFFFAOYSA-N 0 1 267.756 3.955 20 0 CHADMN c1nc2ccc(C[N@@H+]3Cc4ccccc4C4(CC4)C3)cc2[nH]1 ZINC000548176095 334144973 /nfs/dbraw/zinc/14/49/73/334144973.db2.gz XAKMMMGRISVNIM-UHFFFAOYSA-N 0 1 289.382 3.610 20 0 CHADMN c1nc2ccc(C[N@H+]3Cc4ccccc4C4(CC4)C3)cc2[nH]1 ZINC000548176095 334144975 /nfs/dbraw/zinc/14/49/75/334144975.db2.gz XAKMMMGRISVNIM-UHFFFAOYSA-N 0 1 289.382 3.610 20 0 CHADMN COc1cccc([C@@H](C)N(C)Cc2scnc2C)c1 ZINC000079433264 334154362 /nfs/dbraw/zinc/15/43/62/334154362.db2.gz PYGYTEVHLLPITP-GFCCVEGCSA-N 0 1 276.405 3.653 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1N(C)Cc1csc(COC)n1 ZINC000548403542 334154577 /nfs/dbraw/zinc/15/45/77/334154577.db2.gz UFKUZYAXMAZTLN-OCCSQVGLSA-N 0 1 282.453 3.690 20 0 CHADMN Cc1ccc(-c2cc(CN3[C@H](C)C[C@H]3C)on2)cc1 ZINC000548426468 334155744 /nfs/dbraw/zinc/15/57/44/334155744.db2.gz VNGHQKFYSFPODJ-CHWSQXEVSA-N 0 1 256.349 3.633 20 0 CHADMN COC(=O)c1ccccc1-c1ccc(C[N@H+]2CCC2(C)C)o1 ZINC000548501181 334160942 /nfs/dbraw/zinc/16/09/42/334160942.db2.gz ALKJIHHFMUIMAQ-UHFFFAOYSA-N 0 1 299.370 3.718 20 0 CHADMN C[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000549140065 334186249 /nfs/dbraw/zinc/18/62/49/334186249.db2.gz VWAYPFHNZLMOHX-QAPCUYQASA-N 0 1 285.431 3.925 20 0 CHADMN Fc1ccc([C@@H]2CN(C[C@@H]3CC=CCC3)CCO2)cc1 ZINC000245514568 334199253 /nfs/dbraw/zinc/19/92/53/334199253.db2.gz GCIDKMFCCZRXQG-PBHICJAKSA-N 0 1 275.367 3.555 20 0 CHADMN Cc1sccc1CN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000549709909 334202259 /nfs/dbraw/zinc/20/22/59/334202259.db2.gz XCWVIVHBSMYCQO-GFCCVEGCSA-N 0 1 293.354 3.600 20 0 CHADMN Clc1cnn([C@@H]2CC[N@H+]([C@H]3C=CCCCCC3)C2)c1 ZINC000549717988 334202810 /nfs/dbraw/zinc/20/28/10/334202810.db2.gz OFPVFBLJFPEIQN-LSDHHAIUSA-N 0 1 279.815 3.672 20 0 CHADMN Cc1cc(CN[C@@H]2CCC[C@@H]2F)c(OC(F)F)cc1C ZINC000549935800 334209939 /nfs/dbraw/zinc/20/99/39/334209939.db2.gz OAYGHZSLBHZFPW-QWHCGFSZSA-N 0 1 287.325 3.885 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CC[C@H](CC2CC2)C1 ZINC000550032077 334211629 /nfs/dbraw/zinc/21/16/29/334211629.db2.gz DSEQIUVXZQTAKH-WCQYABFASA-N 0 1 277.412 3.550 20 0 CHADMN FC[C@@H]1CCCN1CCOc1ccc2ccccc2c1 ZINC000550032746 334211770 /nfs/dbraw/zinc/21/17/70/334211770.db2.gz VVNKJJOSHQCOHA-INIZCTEOSA-N 0 1 273.351 3.653 20 0 CHADMN Fc1cccc([C@@H]2CN(C[C@@H]3CC=CCC3)CCO2)c1 ZINC000245693407 334212896 /nfs/dbraw/zinc/21/28/96/334212896.db2.gz BUVIALZKVTVCFZ-PBHICJAKSA-N 0 1 275.367 3.555 20 0 CHADMN FC(F)(F)CC1CCN(Cc2cccs2)CC1 ZINC000551407023 334249543 /nfs/dbraw/zinc/24/95/43/334249543.db2.gz RUUQRJAABDVKHW-UHFFFAOYSA-N 0 1 263.328 3.913 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000550305648 334219685 /nfs/dbraw/zinc/21/96/85/334219685.db2.gz FKYKPXTXHBQBSW-LSDHHAIUSA-N 0 1 294.398 3.779 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)[C@@H]3C[C@H]3C3CC3)c2C1 ZINC000245790469 334219936 /nfs/dbraw/zinc/21/99/36/334219936.db2.gz NQJHFSUJDDSIJB-JKSUJKDBSA-N 0 1 298.430 3.643 20 0 CHADMN CC(C)n1ccnc1CN1CCC[C@@H]2CCCC[C@H]21 ZINC000245834682 334220944 /nfs/dbraw/zinc/22/09/44/334220944.db2.gz BREWWZAZYSAZOH-LSDHHAIUSA-N 0 1 261.413 3.619 20 0 CHADMN C[C@@H](c1nc(Cc2ccccc2)no1)N1CC[C@@H](C)[C@H](C)C1 ZINC000245852674 334221620 /nfs/dbraw/zinc/22/16/20/334221620.db2.gz DAVFQFFJTPDSTB-KFWWJZLASA-N 0 1 299.418 3.699 20 0 CHADMN CCC[C@H](C)C(=O)NCCN[C@H](C)c1ccccc1Cl ZINC000550832946 334229779 /nfs/dbraw/zinc/22/97/79/334229779.db2.gz QYQXXHNRKQRXKL-QWHCGFSZSA-N 0 1 296.842 3.543 20 0 CHADMN CC(F)(F)CN[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000550860010 334230658 /nfs/dbraw/zinc/23/06/58/334230658.db2.gz GAGTXUDSYQKTGE-KGLIPLIRSA-N 0 1 253.336 3.742 20 0 CHADMN CC(F)(F)CN[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000550860009 334230718 /nfs/dbraw/zinc/23/07/18/334230718.db2.gz GAGTXUDSYQKTGE-KBPBESRZSA-N 0 1 253.336 3.742 20 0 CHADMN COC[C@@H](N[C@H]1C=CCCCCC1)c1ccc(C)o1 ZINC000551060126 334237578 /nfs/dbraw/zinc/23/75/78/334237578.db2.gz QOVWODCENBKLRV-LSDHHAIUSA-N 0 1 263.381 3.754 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(C(C)(C)C)no1 ZINC000246172542 334238283 /nfs/dbraw/zinc/23/82/83/334238283.db2.gz PYAXCGBUFPQHCN-FRRDWIJNSA-N 0 1 277.412 3.520 20 0 CHADMN CC(C)[C@@H](O)CN(Cc1c(F)cccc1F)C1CCCC1 ZINC000551092441 334238474 /nfs/dbraw/zinc/23/84/74/334238474.db2.gz GBKCONXMERDARS-KRWDZBQOSA-N 0 1 297.389 3.726 20 0 CHADMN FC(F)c1ccc(CN[C@H]2COCc3ccccc32)cc1 ZINC000551279668 334244872 /nfs/dbraw/zinc/24/48/72/334244872.db2.gz HPVBXDKSKWUMSR-INIZCTEOSA-N 0 1 289.325 3.985 20 0 CHADMN CC1=CC[C@H](NCc2cc(COC(C)(C)C)on2)CC1 ZINC000551283812 334245115 /nfs/dbraw/zinc/24/51/15/334245115.db2.gz VXMIZZTUHHBMDO-ZDUSSCGKSA-N 0 1 278.396 3.578 20 0 CHADMN C[C@@H](N[C@H]1CCC[C@H]1F)c1ccccc1OC(F)F ZINC000551310073 334246341 /nfs/dbraw/zinc/24/63/41/334246341.db2.gz SQKUXPKPHZCSOI-JLLWLGSASA-N 0 1 273.298 3.829 20 0 CHADMN O=C(CCN1CCC(CC(F)(F)F)CC1)c1ccccc1 ZINC000551405918 334249503 /nfs/dbraw/zinc/24/95/03/334249503.db2.gz FARVHLAMJVPVHK-UHFFFAOYSA-N 0 1 299.336 3.924 20 0 CHADMN C[C@H]1CCN(Cc2nc(Cc3ccccc3)no2)C[C@@H](C)C1 ZINC000246729278 334268458 /nfs/dbraw/zinc/26/84/58/334268458.db2.gz OPTDRHBDFOMZBG-GJZGRUSLSA-N 0 1 299.418 3.528 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@H](C)c2nccs2)C12CCCC2 ZINC000246846861 334270734 /nfs/dbraw/zinc/27/07/34/334270734.db2.gz HWSSWSIYDUSIDE-FRRDWIJNSA-N 0 1 280.437 3.532 20 0 CHADMN CC(C)CO[C@H]1CCN([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000247774558 334290174 /nfs/dbraw/zinc/29/01/74/334290174.db2.gz WPNLRKWFYKSXLA-OCCSQVGLSA-N 0 1 283.362 3.773 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@H](C)[C@H]1C)c1nc(C(C)(C)C)no1 ZINC000248092719 334294691 /nfs/dbraw/zinc/29/46/91/334294691.db2.gz LVTHTPDMGMKUGV-QNWHQSFQSA-N 0 1 279.428 3.842 20 0 CHADMN CC(C)[C@@H]1N(Cc2cnc(C3CC3)s2)CC1(C)C ZINC000552292022 334313892 /nfs/dbraw/zinc/31/38/92/334313892.db2.gz BMRQZPNDXNQKNV-ZDUSSCGKSA-N 0 1 264.438 3.887 20 0 CHADMN C[C@@H]1CCN(Cc2cc(Cl)cs2)C[C@H]1n1ccnc1 ZINC000248728269 334314921 /nfs/dbraw/zinc/31/49/21/334314921.db2.gz JXHDJFZWSQAQSJ-BXUZGUMPSA-N 0 1 295.839 3.681 20 0 CHADMN CCc1noc([C@H](C)N[C@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000249071170 334326652 /nfs/dbraw/zinc/32/66/52/334326652.db2.gz QZSYOSXGMCGYFX-BPUTZDHNSA-N 0 1 299.418 3.694 20 0 CHADMN CCc1noc([C@H](C)N[C@H]2CCC[C@H]2CCC(C)C)n1 ZINC000249099668 334327637 /nfs/dbraw/zinc/32/76/37/334327637.db2.gz WBLLRBLKYRITSK-IHRRRGAJSA-N 0 1 279.428 3.888 20 0 CHADMN CO[C@@H]1CN(Cc2cnc(C3CCCC3)s2)CC[C@H]1C ZINC000249180937 334329561 /nfs/dbraw/zinc/32/95/61/334329561.db2.gz NEOYJHQNXMIURY-IUODEOHRSA-N 0 1 294.464 3.658 20 0 CHADMN Cc1cc(CN(C)[C@H]2CC[C@](C)(c3ccccc3)C2)no1 ZINC000249206432 334330144 /nfs/dbraw/zinc/33/01/44/334330144.db2.gz WAQKSEPLHJJDGH-ROUUACIJSA-N 0 1 284.403 3.925 20 0 CHADMN CCC[C@H](C)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000249261465 334330743 /nfs/dbraw/zinc/33/07/43/334330743.db2.gz HXFZXBOJCFFLQD-SWLSCSKDSA-N 0 1 299.361 3.850 20 0 CHADMN CCCCCn1cc(CN[C@@H](C)c2ccoc2)c(C)n1 ZINC000552578844 334337220 /nfs/dbraw/zinc/33/72/20/334337220.db2.gz IKMWWLVPURWZHF-ZDUSSCGKSA-N 0 1 275.396 3.826 20 0 CHADMN CC[C@@H](COC)N[C@@H](c1ccccc1)c1ccccc1OC ZINC000089554933 334346654 /nfs/dbraw/zinc/34/66/54/334346654.db2.gz HBSVOOPVLCTKTE-LPHOPBHVSA-N 0 1 299.414 3.799 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N1CCCSCC1 ZINC000089984006 334354792 /nfs/dbraw/zinc/35/47/92/334354792.db2.gz GWRKBIFDEDBNTA-CQSZACIVSA-N 0 1 271.376 3.855 20 0 CHADMN Cc1cc(CN2CCCC[C@@H]2CCc2ccccc2)no1 ZINC000090010412 334355497 /nfs/dbraw/zinc/35/54/97/334355497.db2.gz BYZVSMTWYAHHSF-GOSISDBHSA-N 0 1 284.403 3.970 20 0 CHADMN Cc1cc(C)cc(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC000251063428 334355552 /nfs/dbraw/zinc/35/55/52/334355552.db2.gz FKBNUZWWVIIHIA-IKGGRYGDSA-N 0 1 287.403 3.521 20 0 CHADMN c1cc(CN2CCCC[C@@H]2CCc2ccccc2)no1 ZINC000090010467 334355572 /nfs/dbraw/zinc/35/55/72/334355572.db2.gz DMLGYWIVNKTMAI-QGZVFWFLSA-N 0 1 270.376 3.662 20 0 CHADMN CCCN(C)CC(=O)Nc1ccccc1CCC(C)C ZINC000553093673 334360778 /nfs/dbraw/zinc/36/07/78/334360778.db2.gz KGUMKDLXUWOCFO-UHFFFAOYSA-N 0 1 276.424 3.556 20 0 CHADMN CC1CCC(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)CC1 ZINC000251572171 334364507 /nfs/dbraw/zinc/36/45/07/334364507.db2.gz BSYWCXLKMKHDKY-NCOXYXGASA-N 0 1 279.424 3.530 20 0 CHADMN C[C@@H]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)[C@H]1C ZINC000252649187 334384097 /nfs/dbraw/zinc/38/40/97/334384097.db2.gz RVVHRGWALYPBIM-MNOVXSKESA-N 0 1 291.782 3.620 20 0 CHADMN C(=C/[C@H]1CCCCCN1Cc1c[nH]cn1)\c1ccccc1 ZINC000091924287 334386077 /nfs/dbraw/zinc/38/60/77/334386077.db2.gz JJRIBFIQFCMOJZ-DOJUMQAQSA-N 0 1 281.403 3.868 20 0 CHADMN CCCc1ccc(CN[C@H](CO)c2ccc(F)cc2)cc1 ZINC000553801163 334399413 /nfs/dbraw/zinc/39/94/13/334399413.db2.gz KKRVHHWPWPQTIY-GOSISDBHSA-N 0 1 287.378 3.601 20 0 CHADMN CC(C)Cc1ncc(CN2C[C@H](C)S[C@@H](C)C2)s1 ZINC000092541495 334422563 /nfs/dbraw/zinc/42/25/63/334422563.db2.gz VBEVLEBRTHCTOF-RYUDHWBXSA-N 0 1 284.494 3.667 20 0 CHADMN C[C@H](N[C@H]1CCC1(C)C)c1nc(-c2cccs2)no1 ZINC000554404787 334428895 /nfs/dbraw/zinc/42/88/95/334428895.db2.gz IWIVYPVLVYJXEC-ONGXEEELSA-N 0 1 277.393 3.637 20 0 CHADMN Cn1ccnc1[C@H](N[C@H]1CC[C@H]1C1CCC1)c1ccccc1 ZINC000554727527 334449463 /nfs/dbraw/zinc/44/94/63/334449463.db2.gz MMAYTMCGMVCUHT-OKZBNKHCSA-N 0 1 295.430 3.678 20 0 CHADMN C/C(=C/c1ccccc1OC(F)F)CN1CCSCC1 ZINC000555093126 334467874 /nfs/dbraw/zinc/46/78/74/334467874.db2.gz QEGOWSZONPJJSP-BENRWUELSA-N 0 1 299.386 3.740 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)NC3CC(C)C3)n2)ccc1F ZINC000555434794 334478448 /nfs/dbraw/zinc/47/84/48/334478448.db2.gz NLNNJNZFYNKFQD-DMLGSKKGSA-N 0 1 289.354 3.633 20 0 CHADMN Cc1sccc1CNC1(c2ccc(F)cc2)CC1 ZINC000555547613 334481279 /nfs/dbraw/zinc/48/12/79/334481279.db2.gz OLQRZCWHVWZEER-UHFFFAOYSA-N 0 1 261.365 3.975 20 0 CHADMN FC(F)Oc1ccc(CN[C@@H]2CCC[C@@H]2F)cc1Cl ZINC000555645742 334486001 /nfs/dbraw/zinc/48/60/01/334486001.db2.gz WEWDOIPTNDJXAE-WDEREUQCSA-N 0 1 293.716 3.922 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2NCC2CCC2)C[C@@H](C)O1 ZINC000152713325 334510193 /nfs/dbraw/zinc/51/01/93/334510193.db2.gz UNPLVABAQSBKLR-HUUCEWRRSA-N 0 1 288.435 3.508 20 0 CHADMN Cc1nc(CN[C@H]2c3cccc(F)c3CC[C@H]2C)[nH]c1C ZINC000565243392 334547928 /nfs/dbraw/zinc/54/79/28/334547928.db2.gz YDZLMGCLDRJFGD-BMLIUANNSA-N 0 1 287.382 3.579 20 0 CHADMN CC(C)(C)c1nc(CN2C[C@H]3CCC[C@@H]3C2)cs1 ZINC000153357119 334592705 /nfs/dbraw/zinc/59/27/05/334592705.db2.gz CVJFQRCNYSUQRU-VXGBXAGGSA-N 0 1 264.438 3.673 20 0 CHADMN F[C@H]1CCC[C@H]1N[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000566394369 334645856 /nfs/dbraw/zinc/64/58/56/334645856.db2.gz QGBQRBLZGBNHBC-LZLYRXPVSA-N 0 1 299.393 3.730 20 0 CHADMN CCn1cnnc1CN[C@@H](c1ccccc1)C1CCCCC1 ZINC000273103207 334760763 /nfs/dbraw/zinc/76/07/63/334760763.db2.gz UZXJGOCZFDLZIR-SFHVURJKSA-N 0 1 298.434 3.709 20 0 CHADMN c1ccc2c(c1)COC[C@H]2NCc1ccnc2ccccc12 ZINC000567926873 334776216 /nfs/dbraw/zinc/77/62/16/334776216.db2.gz SYHDFBWJDIWLIB-LJQANCHMSA-N 0 1 290.366 3.596 20 0 CHADMN CCCOc1ccc(CN[C@H](CCC)c2ccccn2)cn1 ZINC000159061557 334819275 /nfs/dbraw/zinc/81/92/75/334819275.db2.gz AROUEMVAOSAMPH-MRXNPFEDSA-N 0 1 299.418 3.896 20 0 CHADMN CC(C)c1ccc(CNCc2cnn(CC(F)F)c2)cc1 ZINC000292891599 334887664 /nfs/dbraw/zinc/88/76/64/334887664.db2.gz DRFMTENQRJODRJ-UHFFFAOYSA-N 0 1 293.361 3.561 20 0 CHADMN CCC1(C)CCN(Cc2ccsc2C(=O)OC)CC1 ZINC000336888297 334915683 /nfs/dbraw/zinc/91/56/83/334915683.db2.gz FCPDFBLIJVQATH-UHFFFAOYSA-N 0 1 281.421 3.547 20 0 CHADMN Cc1nnc([C@@H](C)N[C@H](C)CCC(C)(C)C)s1 ZINC000342569535 335182972 /nfs/dbraw/zinc/18/29/72/335182972.db2.gz AEIKOIGNJIZZKD-NXEZZACHSA-N 0 1 255.431 3.712 20 0 CHADMN CCc1cccc(CNCc2ccc(F)cc2F)c1 ZINC000576284695 335183221 /nfs/dbraw/zinc/18/32/21/335183221.db2.gz GXWKOEBCPAAZDK-UHFFFAOYSA-N 0 1 261.315 3.817 20 0 CHADMN CC(C)C[C@H](C)C[N@H+](Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000576352991 335193270 /nfs/dbraw/zinc/19/32/70/335193270.db2.gz LIHUODNBTAWPAK-JKSUJKDBSA-N 0 1 291.435 3.892 20 0 CHADMN C[C@H]1CCCCCN1C(=O)c1[nH]nc2ccc(Cl)cc21 ZINC000576472462 335208532 /nfs/dbraw/zinc/20/85/32/335208532.db2.gz GYKOQFLDPSGTLC-JTQLQIEISA-N 0 1 291.782 3.621 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCCCCC(=O)[O-] ZINC000576523086 335214604 /nfs/dbraw/zinc/21/46/04/335214604.db2.gz MSNLRIXDJMLPPJ-ZDUSSCGKSA-N 0 1 297.826 3.848 20 0 CHADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000576643220 335230073 /nfs/dbraw/zinc/23/00/73/335230073.db2.gz RUKUPBBXYJVNQV-ZENLRNHISA-N 0 1 293.794 3.540 20 0 CHADMN Cc1cc(F)c(CNCC(C)(C)C(F)(F)F)c(F)c1 ZINC000576695615 335235604 /nfs/dbraw/zinc/23/56/04/335235604.db2.gz RVJUVBQRQKDLGR-UHFFFAOYSA-N 0 1 281.268 3.951 20 0 CHADMN CCc1ccc(NC(=O)c2cn[nH]c2C(C)(C)C)cc1 ZINC000576888817 335261017 /nfs/dbraw/zinc/26/10/17/335261017.db2.gz IQWJLACNKOFHBH-UHFFFAOYSA-N 0 1 271.364 3.522 20 0 CHADMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1c2ccccc2sc1C(=O)[O-] ZINC000576951016 335268541 /nfs/dbraw/zinc/26/85/41/335268541.db2.gz XSTUJERWBUNNOQ-PHIMTYICSA-N 0 1 289.400 3.972 20 0 CHADMN Cc1noc([C@H](C)N(C)[C@@H](C)CCc2cccc(F)c2)n1 ZINC000580571082 335285250 /nfs/dbraw/zinc/28/52/50/335285250.db2.gz XAGWNXYSPJKVON-RYUDHWBXSA-N 0 1 291.370 3.531 20 0 CHADMN CC(C)c1ncc(CN2CC(C)(C)[C@@H]2C2CC2)s1 ZINC000577032170 335285264 /nfs/dbraw/zinc/28/52/64/335285264.db2.gz MXYGQXDFXHJOHV-ZDUSSCGKSA-N 0 1 264.438 3.887 20 0 CHADMN C[C@@H]1CN(Cc2cc(C(C)(C)C)on2)C(C)(C)C1 ZINC000580603347 335297454 /nfs/dbraw/zinc/29/74/54/335297454.db2.gz DVIRAWNXHJCLLU-NSHDSACASA-N 0 1 250.386 3.593 20 0 CHADMN Fc1ccc2c(c1)onc2C1CCN(CC2(F)CC2)CC1 ZINC000577153199 335309799 /nfs/dbraw/zinc/30/97/99/335309799.db2.gz ZFCIXLOZBZHUOB-UHFFFAOYSA-N 0 1 292.329 3.648 20 0 CHADMN CC[C@H](Cc1ccccc1)c1nc(C2(N)CCCC2)no1 ZINC000577177165 335316575 /nfs/dbraw/zinc/31/65/75/335316575.db2.gz IJPLQZWLRMBPLO-CQSZACIVSA-N 0 1 285.391 3.534 20 0 CHADMN Cc1noc([C@@H](C)N(C)C[C@H](C)c2cccc(Cl)c2)n1 ZINC000577228617 335326724 /nfs/dbraw/zinc/32/67/24/335326724.db2.gz FQSPMKNURLBSDR-WDEREUQCSA-N 0 1 293.798 3.828 20 0 CHADMN COc1ccccc1[C@H](CO)N[C@H]1C[C@H](C)c2ccccc21 ZINC000577298489 335337102 /nfs/dbraw/zinc/33/71/02/335337102.db2.gz KFJITGZHMUUGBB-KKXDTOCCSA-N 0 1 297.398 3.567 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(Cl)cn2)c1C ZINC000577457644 335354337 /nfs/dbraw/zinc/35/43/37/335354337.db2.gz XBUMLLXLDUQPQJ-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CC[C@]1(C)CCC[N@H+]([C@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000577499675 335359864 /nfs/dbraw/zinc/35/98/64/335359864.db2.gz GPGSCPJVXOYLNX-BDJLRTHQSA-N 0 1 279.380 3.859 20 0 CHADMN CC[C@@]1(C)CCC[N@H+]([C@@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000577499678 335359899 /nfs/dbraw/zinc/35/98/99/335359899.db2.gz GPGSCPJVXOYLNX-ZBEGNZNMSA-N 0 1 279.380 3.859 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000577499894 335360131 /nfs/dbraw/zinc/36/01/31/335360131.db2.gz KSSBNGLPLGHFOT-BIENJYKASA-N 0 1 297.398 3.943 20 0 CHADMN CC[C@H](CSC)N(C)Cc1nc2ccccc2n1CC ZINC000577542793 335366771 /nfs/dbraw/zinc/36/67/71/335366771.db2.gz JDSWQBVQKKHWDI-CYBMUJFWSA-N 0 1 291.464 3.630 20 0 CHADMN COc1cccc([C@@H](C)N2CCc3c(cccc3OC)C2)c1 ZINC000577553735 335367842 /nfs/dbraw/zinc/36/78/42/335367842.db2.gz XGNONTPRGJRLTE-CQSZACIVSA-N 0 1 297.398 3.823 20 0 CHADMN C[C@H]([N@@H+](C)Cc1ccc(C(=O)[O-])c(Cl)c1)C1(C)CC1 ZINC000577618529 335379524 /nfs/dbraw/zinc/37/95/24/335379524.db2.gz JESIMCCMNFSWOA-JTQLQIEISA-N 0 1 281.783 3.659 20 0 CHADMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc(C(=O)[O-])ccc1Cl ZINC000577642488 335385017 /nfs/dbraw/zinc/38/50/17/335385017.db2.gz IQTQLJADUIVOSC-GWCFXTLKSA-N 0 1 281.783 3.659 20 0 CHADMN C[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000577761006 335398440 /nfs/dbraw/zinc/39/84/40/335398440.db2.gz ZPWASPIZQXLXSI-GOSISDBHSA-N 0 1 299.370 3.575 20 0 CHADMN Cc1oc([C@H](C)[N@@H+](C)CC2CCCCC2)cc1C(=O)[O-] ZINC000577760775 335398528 /nfs/dbraw/zinc/39/85/28/335398528.db2.gz QYSUDHVQACRMRA-NSHDSACASA-N 0 1 279.380 3.859 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccoc2)cc1OC ZINC000177990635 335407590 /nfs/dbraw/zinc/40/75/90/335407590.db2.gz LYINJLQXYFEMBE-LBPRGKRZSA-N 0 1 275.348 3.538 20 0 CHADMN C[C@H](c1nc(CCC(F)(F)F)no1)N1CCCCCC1 ZINC000350595031 335517881 /nfs/dbraw/zinc/51/78/81/335517881.db2.gz LNWYBADEZOKXAL-SNVBAGLBSA-N 0 1 291.317 3.502 20 0 CHADMN C[C@@H](NCc1cccc(OCC(F)F)c1)c1ccoc1 ZINC000180528060 335603375 /nfs/dbraw/zinc/60/33/75/335603375.db2.gz OGDMPPIXKHWGQW-LLVKDONJSA-N 0 1 281.302 3.774 20 0 CHADMN Cc1cccc(C)c1CC(=O)Nc1cccc(Cl)c1O ZINC000180885612 335628288 /nfs/dbraw/zinc/62/82/88/335628288.db2.gz JGJDDXIWEGGQOC-UHFFFAOYSA-N 0 1 289.762 3.844 20 0 CHADMN CC(C)OC(=O)C[C@H](NCc1ccccc1)c1ccccc1 ZINC000181821634 335786826 /nfs/dbraw/zinc/78/68/26/335786826.db2.gz HBJCYBZLGRMOKZ-SFHVURJKSA-N 0 1 297.398 3.859 20 0 CHADMN C[C@@H](N[C@@H](C)CC(=O)OC(C)(C)C)c1cccc(F)c1F ZINC000183294726 335886773 /nfs/dbraw/zinc/88/67/73/335886773.db2.gz NBEXBWUKBGXJEN-WDEREUQCSA-N 0 1 299.361 3.736 20 0 CHADMN CC[C@H](C)NC(=O)CN[C@H](c1ccccc1Cl)C(C)C ZINC000183698526 335902096 /nfs/dbraw/zinc/90/20/96/335902096.db2.gz SNGMGMDXCQCDFD-LRDDRELGSA-N 0 1 296.842 3.541 20 0 CHADMN CCCC(O)(CCC)CNCc1ncc(C(C)C)s1 ZINC000183800151 335906460 /nfs/dbraw/zinc/90/64/60/335906460.db2.gz MMXUILYPHWNGOV-UHFFFAOYSA-N 0 1 284.469 3.687 20 0 CHADMN Cc1ccc(CCN[C@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000185175877 335948272 /nfs/dbraw/zinc/94/82/72/335948272.db2.gz GGSUWVJETNTYFB-CYBMUJFWSA-N 0 1 287.407 3.569 20 0 CHADMN CC[C@@H]1CCCN(Cc2ccsc2C(=O)OC)CC1 ZINC000381099049 336050198 /nfs/dbraw/zinc/05/01/98/336050198.db2.gz ABSHXHALFAFSHK-GFCCVEGCSA-N 0 1 281.421 3.547 20 0 CHADMN COc1ccc([C@@H](NCc2nccn2C(C)C)C2CC2)cc1 ZINC000195514168 336055375 /nfs/dbraw/zinc/05/53/75/336055375.db2.gz YLIHTTSUNIEKNR-SFHVURJKSA-N 0 1 299.418 3.714 20 0 CHADMN CS[C@@H](CN[C@H](C)c1cscn1)C(C)(C)C ZINC000381397900 336061425 /nfs/dbraw/zinc/06/14/25/336061425.db2.gz QBONHXFMTBPLIY-KOLCDFICSA-N 0 1 258.456 3.571 20 0 CHADMN CCO[C@@H](C)c1noc(CN(C)CC(C(C)C)C(C)C)n1 ZINC000581385074 336066281 /nfs/dbraw/zinc/06/62/81/336066281.db2.gz BJQWFPORPVJDPJ-ZDUSSCGKSA-N 0 1 297.443 3.527 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C[C@@H]1C ZINC000381515847 336067167 /nfs/dbraw/zinc/06/71/67/336067167.db2.gz LRERSGIEQLFZOY-MNOVXSKESA-N 0 1 281.783 3.516 20 0 CHADMN COC(=O)c1cccc(CN2C[C@@H](C)CC[C@H]2C)c1Cl ZINC000381741796 336072010 /nfs/dbraw/zinc/07/20/10/336072010.db2.gz URTWVGIGJZWUFI-NWDGAFQWSA-N 0 1 295.810 3.747 20 0 CHADMN CC1(C)[C@@H](C(F)(F)F)CCN1Cc1cc(O)cc(F)c1 ZINC000381864407 336074735 /nfs/dbraw/zinc/07/47/35/336074735.db2.gz YSCAHMBGGUODMU-LBPRGKRZSA-N 0 1 291.288 3.694 20 0 CHADMN C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+]1CC[C@](C)(O)C1 ZINC000581515139 336092408 /nfs/dbraw/zinc/09/24/08/336092408.db2.gz BQOHWQQLMYOKFZ-JQVXPOPVSA-N 0 1 299.336 3.565 20 0 CHADMN C[C@H](C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000384286319 336123305 /nfs/dbraw/zinc/12/33/05/336123305.db2.gz CVCXXIDSCGRVCX-CQSZACIVSA-N 0 1 295.382 3.547 20 0 CHADMN Cc1ccc(NC(=O)CN2CC[C@@H](C)C(C)(C)C2)c(C)c1 ZINC000581697084 336129353 /nfs/dbraw/zinc/12/93/53/336129353.db2.gz PZAVPARKCUMYBF-OAHLLOKOSA-N 0 1 288.435 3.610 20 0 CHADMN C[C@@H](O)[C@H](NCc1cccc(C2CC2)c1)c1ccccc1F ZINC000581888342 336160616 /nfs/dbraw/zinc/16/06/16/336160616.db2.gz BIWAKBJBIZBHJL-YJYMSZOUSA-N 0 1 299.389 3.915 20 0 CHADMN CCCCCNC(=O)C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000581917146 336165230 /nfs/dbraw/zinc/16/52/30/336165230.db2.gz KTOQAXBIAYFSCX-QGZVFWFLSA-N 0 1 288.435 3.520 20 0 CHADMN CCCCCNC(=O)CN1CCCC[C@@H]1c1ccccc1 ZINC000581917146 336165232 /nfs/dbraw/zinc/16/52/32/336165232.db2.gz KTOQAXBIAYFSCX-QGZVFWFLSA-N 0 1 288.435 3.520 20 0 CHADMN CCC[N@H+](Cc1ccc(C(=O)[O-])cn1)CC1CCCCC1 ZINC000581948805 336175151 /nfs/dbraw/zinc/17/51/51/336175151.db2.gz BUKBRXPYSBFGMX-UHFFFAOYSA-N 0 1 290.407 3.572 20 0 CHADMN COCC[C@H](NCc1ccsc1C)c1ccco1 ZINC000293396172 521974798 /nfs/dbraw/zinc/97/47/98/521974798.db2.gz XQLVCFRKXNSRDD-ZDUSSCGKSA-N 0 1 265.378 3.517 20 0 CHADMN Cc1cc(CN[C@H](CC2CCC2)c2ccccc2)ncn1 ZINC000344320854 533735848 /nfs/dbraw/zinc/73/58/48/533735848.db2.gz IRHVPKDNGVOXIO-GOSISDBHSA-N 0 1 281.403 3.806 20 0 CHADMN Cc1ccc(CC(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000335955814 533755058 /nfs/dbraw/zinc/75/50/58/533755058.db2.gz WXXMROJMSJNXHN-UHFFFAOYSA-N 0 1 293.725 3.674 20 0 CHADMN COc1cc(CN2CC=C(C)CC2)ccc1OC(C)C ZINC000353874647 533799435 /nfs/dbraw/zinc/79/94/35/533799435.db2.gz YGALHTDIODJERI-UHFFFAOYSA-N 0 1 275.392 3.634 20 0 CHADMN Cc1c(C)c(C)c(CN[C@@H]2CCn3ccnc32)c(C)c1C ZINC000334667093 533828205 /nfs/dbraw/zinc/82/82/05/533828205.db2.gz UCVYGXHRZFJTGZ-QGZVFWFLSA-N 0 1 283.419 3.660 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccc(Cl)s2)ccn1 ZINC000062057992 522472750 /nfs/dbraw/zinc/47/27/50/522472750.db2.gz KPEYLWOLHFTQJB-VIFPVBQESA-N 0 1 282.796 3.656 20 0 CHADMN Cc1ccc(CN2CC[C@H](c3c(F)cccc3F)C2)cn1 ZINC000347733873 533956198 /nfs/dbraw/zinc/95/61/98/533956198.db2.gz MXCGYJLHFRCPSO-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1ccc(CN2C[C@H](C)C[C@@H]2c2cccc(F)c2)nn1 ZINC000334878590 533964924 /nfs/dbraw/zinc/96/49/24/533964924.db2.gz GLYPJJPHIQWLNC-SJKOYZFVSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1cn[nH]c1CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000356090423 533990089 /nfs/dbraw/zinc/99/00/89/533990089.db2.gz RAVIWDCMRKCVIE-UHFFFAOYSA-N 0 1 284.190 3.657 20 0 CHADMN CS[C@H](C)CCC(=O)Nc1cc(F)cc(Cl)c1O ZINC000353889596 534042411 /nfs/dbraw/zinc/04/24/11/534042411.db2.gz ANBRVHANODMHFD-SSDOTTSWSA-N 0 1 291.775 3.655 20 0 CHADMN CS[C@H](C)CN[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000346665319 534061201 /nfs/dbraw/zinc/06/12/01/534061201.db2.gz ZQPQWTXZGSMHRO-WBMJQRKESA-N 0 1 290.407 3.651 20 0 CHADMN Cc1ccc(CN[C@H]2CCCc3c(F)cccc32)nc1 ZINC000336213409 534090048 /nfs/dbraw/zinc/09/00/48/534090048.db2.gz RIDYCWLJWMKJCA-KRWDZBQOSA-N 0 1 270.351 3.696 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1CCC(C)(C)C1 ZINC000332223583 534129120 /nfs/dbraw/zinc/12/91/20/534129120.db2.gz JXMMFAIHBIGXOF-NSHDSACASA-N 0 1 271.364 3.636 20 0 CHADMN Cc1ccc(F)cc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000352746213 534158059 /nfs/dbraw/zinc/15/80/59/534158059.db2.gz ZBLJDIRLLQTGEY-INIZCTEOSA-N 0 1 258.340 3.799 20 0 CHADMN Cc1ccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)nc3C2)cc1 ZINC000334685055 534186739 /nfs/dbraw/zinc/18/67/39/534186739.db2.gz WEXBFRSNFAYOCS-CYBMUJFWSA-N 0 1 297.402 3.585 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)c(O)cc2F)C1 ZINC000335955405 534212605 /nfs/dbraw/zinc/21/26/05/534212605.db2.gz KUNKTDYWYYPVKY-SFYZADRCSA-N 0 1 271.719 3.559 20 0 CHADMN C[C@H](C(=O)Nc1cc(Cl)c(O)cc1F)c1ccccc1 ZINC000335957220 534296623 /nfs/dbraw/zinc/29/66/23/534296623.db2.gz HJBIHAWFGKDPNF-VIFPVBQESA-N 0 1 293.725 3.927 20 0 CHADMN Cc1ccc(-c2nnc([C@@H](C)N[C@@H]3CCC3(C)C)o2)cc1 ZINC000562293690 518188199 /nfs/dbraw/zinc/18/81/99/518188199.db2.gz JZDASERLJAWUJI-TZMCWYRMSA-N 0 1 285.391 3.884 20 0 CHADMN CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cccc([O-])c2Cl)CCO1 ZINC000293215607 518951133 /nfs/dbraw/zinc/95/11/33/518951133.db2.gz JNSOUABEKNMCBM-OCCSQVGLSA-N 0 1 297.826 3.729 20 0 CHADMN CC(C)(C)[C@H]1CCCN(C(=O)c2ccc3cncn3c2)CC1 ZINC000339954892 518974903 /nfs/dbraw/zinc/97/49/03/518974903.db2.gz RIQRYKPMFNKJJV-HNNXBMFYSA-N 0 1 299.418 3.623 20 0 CHADMN CC(C)(C)c1cnc(SCc2n[nH]c(C(C)(C)C)n2)o1 ZINC000292412195 519079012 /nfs/dbraw/zinc/07/90/12/519079012.db2.gz JXUKDBJTHKXSNO-UHFFFAOYSA-N 0 1 294.424 3.680 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2cnc3ccccc3c2)n1 ZINC000280914294 519124556 /nfs/dbraw/zinc/12/45/56/519124556.db2.gz DNWZDLCHTDLDHU-UHFFFAOYSA-N 0 1 298.415 3.943 20 0 CHADMN CC(C)(C)c1nc(SCc2cnc3ccccc3c2)n[nH]1 ZINC000280914294 519124566 /nfs/dbraw/zinc/12/45/66/519124566.db2.gz DNWZDLCHTDLDHU-UHFFFAOYSA-N 0 1 298.415 3.943 20 0 CHADMN CC(C)(C)n1cc(CN[C@H]2CCCc3sccc32)cn1 ZINC000061360192 519160872 /nfs/dbraw/zinc/16/08/72/519160872.db2.gz SWSRFSAUXQGBKT-AWEZNQCLSA-N 0 1 289.448 3.867 20 0 CHADMN CC(C)(C)n1cc(CNCc2ccc(F)c(Cl)c2)cn1 ZINC000053148984 519161007 /nfs/dbraw/zinc/16/10/07/519161007.db2.gz PETQUMLMEPGGMJ-UHFFFAOYSA-N 0 1 295.789 3.720 20 0 CHADMN CC(C)(C)n1cc(CN[C@@H]2CCCc3sccc32)cn1 ZINC000061360191 519161049 /nfs/dbraw/zinc/16/10/49/519161049.db2.gz SWSRFSAUXQGBKT-CQSZACIVSA-N 0 1 289.448 3.867 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H](C)Cc2cccc(F)c2)n1 ZINC000339392898 519238328 /nfs/dbraw/zinc/23/83/28/519238328.db2.gz GGDZXHNYNNWPSX-BXUZGUMPSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@]2(C)CCc3ccccc3C2)n1 ZINC000339386384 519238392 /nfs/dbraw/zinc/23/83/92/519238392.db2.gz VTLKHXJZWKFBEN-CRAIPNDOSA-N 0 1 299.418 3.562 20 0 CHADMN CC(C)C[C@H](C)C[N@@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000337215160 519305573 /nfs/dbraw/zinc/30/55/73/519305573.db2.gz YBZUMSVSQSDGKL-NSHDSACASA-N 0 1 293.436 3.511 20 0 CHADMN CC(C)(NCc1ccccn1)c1ccc(Cl)cc1 ZINC000067011167 519324856 /nfs/dbraw/zinc/32/48/56/519324856.db2.gz BGRWUKWGSGMNJK-UHFFFAOYSA-N 0 1 260.768 3.760 20 0 CHADMN C=Cn1cc(CN[C@H](CC)c2ccc(Cl)s2)cn1 ZINC000278945985 519328636 /nfs/dbraw/zinc/32/86/36/519328636.db2.gz YOVHTKVMNAZIET-LLVKDONJSA-N 0 1 281.812 3.939 20 0 CHADMN CC(C)C[C@H](N)c1noc(CCC2CCCCC2)n1 ZINC000339384402 519374333 /nfs/dbraw/zinc/37/43/33/519374333.db2.gz IENCIJJDLUHQIR-ZDUSSCGKSA-N 0 1 265.401 3.628 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H](C)Cc2ccccc2F)n1 ZINC000339384114 519378369 /nfs/dbraw/zinc/37/83/69/519378369.db2.gz FZFHHQCPXKQBBG-FZMZJTMJSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H](C)c2ccc(Cl)s2)n1 ZINC000339393241 519379559 /nfs/dbraw/zinc/37/95/59/519379559.db2.gz LWPKDXDWRHNSNS-BDAKNGLRSA-N 0 1 299.827 3.982 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H](C)Cc2cccc(F)c2)n1 ZINC000339392903 519380064 /nfs/dbraw/zinc/38/00/64/519380064.db2.gz GGDZXHNYNNWPSX-RISCZKNCSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H](C)Cc2ccccc2F)n1 ZINC000339384250 519380517 /nfs/dbraw/zinc/38/05/17/519380517.db2.gz FZFHHQCPXKQBBG-RISCZKNCSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H]2C[C@H]2c2ccc(F)cc2)n1 ZINC000339391146 519381214 /nfs/dbraw/zinc/38/12/14/519381214.db2.gz XFCNIIJLNUIRQF-IHRRRGAJSA-N 0 1 289.354 3.526 20 0 CHADMN CC(=O)CCCCSc1nc2ccc(C)cc2[nH]1 ZINC000061440580 519412945 /nfs/dbraw/zinc/41/29/45/519412945.db2.gz UTLAPAWDXWJZEW-UHFFFAOYSA-N 0 1 262.378 3.723 20 0 CHADMN CC(C)N(Cc1cccnc1)Cc1cccc(F)c1 ZINC000263710401 519659572 /nfs/dbraw/zinc/65/95/72/519659572.db2.gz DCMGIVIRYWRLBO-UHFFFAOYSA-N 0 1 258.340 3.631 20 0 CHADMN CC(C)CC[C@@H]1CCCN1Cc1ncnn1-c1ccccc1 ZINC000337166641 519686475 /nfs/dbraw/zinc/68/64/75/519686475.db2.gz ZWMUDNZNLYDSPW-INIZCTEOSA-N 0 1 298.434 3.668 20 0 CHADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC000062743205 519711585 /nfs/dbraw/zinc/71/15/85/519711585.db2.gz LDPXQOWWHHUADN-UHFFFAOYSA-N 0 1 290.190 3.536 20 0 CHADMN CC(C)Oc1ccc(CN[C@H](C)c2cn[nH]c2)cc1Cl ZINC000275235421 519779967 /nfs/dbraw/zinc/77/99/67/519779967.db2.gz WKORPHLRNMGWQF-LLVKDONJSA-N 0 1 293.798 3.701 20 0 CHADMN Cc1ccoc1CN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000344619255 534449633 /nfs/dbraw/zinc/44/96/33/534449633.db2.gz WLNKOXLKGAEVTD-CQSZACIVSA-N 0 1 281.359 3.625 20 0 CHADMN CC(C)[C@]1(CO)CCCN(Cc2c(F)cccc2Cl)C1 ZINC000339700663 519830378 /nfs/dbraw/zinc/83/03/78/519830378.db2.gz DCWUYFVUFAGLHM-MRXNPFEDSA-N 0 1 299.817 3.710 20 0 CHADMN Cc1noc([C@@H]2CCCN2CCC2C[C@@H](C)C[C@H](C)C2)n1 ZINC000353569866 534451907 /nfs/dbraw/zinc/45/19/07/534451907.db2.gz GZOWCZNMEIGTPV-XEZPLFJOSA-N 0 1 291.439 3.977 20 0 CHADMN CCCC(C)(C)NCc1ncc(C(F)(F)F)s1 ZINC000278748361 519882943 /nfs/dbraw/zinc/88/29/43/519882943.db2.gz WDMJVWDLQCJCIR-UHFFFAOYSA-N 0 1 266.332 3.830 20 0 CHADMN CCCN[C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000126027875 520090658 /nfs/dbraw/zinc/09/06/58/520090658.db2.gz ZQXATZBSBSKUHA-KRWDZBQOSA-N 0 1 279.387 3.662 20 0 CHADMN CC(C)n1nccc1CN(C)[C@H]1CCc2ccccc21 ZINC000279530469 520096421 /nfs/dbraw/zinc/09/64/21/520096421.db2.gz BYEHEBMCVHUALF-KRWDZBQOSA-N 0 1 269.392 3.583 20 0 CHADMN CC(C)n1nccc1CN[C@H]1CCCc2ccc(F)cc21 ZINC000279649063 520112624 /nfs/dbraw/zinc/11/26/24/520112624.db2.gz DUJVQLQGQGUNKS-KRWDZBQOSA-N 0 1 287.382 3.770 20 0 CHADMN CCCCCN(C(=O)c1cnc(C)[nH]1)[C@@H](C)CCC ZINC000339225620 520145813 /nfs/dbraw/zinc/14/58/13/520145813.db2.gz YXYNSNRCUUQPFD-LBPRGKRZSA-N 0 1 265.401 3.539 20 0 CHADMN CCOC[C@H]1CCCN(Cc2ccc(Cl)s2)C1 ZINC000072976349 520171099 /nfs/dbraw/zinc/17/10/99/520171099.db2.gz VTQSBRYVCOWJEP-NSHDSACASA-N 0 1 273.829 3.650 20 0 CHADMN CCC=C(C)C(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC000264146539 520193366 /nfs/dbraw/zinc/19/33/66/520193366.db2.gz HDPCIKAEBOZOPV-XYOKQWHBSA-N 0 1 298.390 3.890 20 0 CHADMN CCCOc1ccc(CNCc2conc2CC)c(C)c1 ZINC000339370715 520369064 /nfs/dbraw/zinc/36/90/64/520369064.db2.gz DOTXCDGWRHEFFU-UHFFFAOYSA-N 0 1 288.391 3.624 20 0 CHADMN CCCCN(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000365887962 520433266 /nfs/dbraw/zinc/43/32/66/520433266.db2.gz ZONWLVDWAQIKSA-INIZCTEOSA-N 0 1 289.810 3.951 20 0 CHADMN CCCOc1ncccc1CN[C@@H](C)c1ccccc1 ZINC000129449992 520503062 /nfs/dbraw/zinc/50/30/62/520503062.db2.gz IQIKDMKSWCYETK-AWEZNQCLSA-N 0 1 270.376 3.721 20 0 CHADMN CC1(C)C[C@H]1N[C@@H](c1ccccc1)c1ccccn1 ZINC000045115465 520570276 /nfs/dbraw/zinc/57/02/76/520570276.db2.gz PBCNEZNBEYYBEB-CVEARBPZSA-N 0 1 252.361 3.559 20 0 CHADMN Cc1ccc2nc(CNCc3ccc([C@H]4C[C@@H]4C)o3)[nH]c2c1 ZINC000344741631 534504005 /nfs/dbraw/zinc/50/40/05/534504005.db2.gz ODCGESCQLDXGMK-JSGCOSHPSA-N 0 1 295.386 3.878 20 0 CHADMN Fc1ccc2c(c1)nccc2NCC[C@H]1CCCCO1 ZINC000302016739 534506030 /nfs/dbraw/zinc/50/60/30/534506030.db2.gz FZBWORMRCUYPMP-CYBMUJFWSA-N 0 1 274.339 3.745 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C[C@H]3C[C@H]3C)[nH]c2c1 ZINC000353775453 534508132 /nfs/dbraw/zinc/50/81/32/534508132.db2.gz SROCJMYOZKAPJQ-IOASZLSFSA-N 0 1 297.402 3.581 20 0 CHADMN CCC[C@@H](NCc1n[nH]c(C(C)C)n1)c1ccccc1 ZINC000293269918 520781470 /nfs/dbraw/zinc/78/14/70/520781470.db2.gz SNFRXRPBOQUZJV-CQSZACIVSA-N 0 1 272.396 3.559 20 0 CHADMN CCN(CC)[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000363365171 520832584 /nfs/dbraw/zinc/83/25/84/520832584.db2.gz ZEJKDCCFRLOZTI-JTQLQIEISA-N 0 1 279.771 3.793 20 0 CHADMN CCN(CC)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000072590751 520850944 /nfs/dbraw/zinc/85/09/44/520850944.db2.gz WSRRZYHEAYGYPF-SECBINFHSA-N 0 1 289.206 3.662 20 0 CHADMN CCN(CC)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000072590286 520851250 /nfs/dbraw/zinc/85/12/50/520851250.db2.gz PMJPZQPECQNPAA-SECBINFHSA-N 0 1 289.206 3.662 20 0 CHADMN CC1=CC[C@@H](N[C@@H](c2nc(C3CC3)no2)C(C)C)CC1 ZINC000293507466 520874013 /nfs/dbraw/zinc/87/40/13/520874013.db2.gz BWVZPUBHBBFUPF-ZIAGYGMSSA-N 0 1 275.396 3.733 20 0 CHADMN CC1=C[C@@H](C)C[C@H](CN(C)Cc2nccn2C(F)F)C1 ZINC000290515465 520881732 /nfs/dbraw/zinc/88/17/32/520881732.db2.gz UFPULKGITZPLAI-YPMHNXCESA-N 0 1 283.366 3.702 20 0 CHADMN CCOc1ccc(CN(Cc2cc(C)ncn2)C(C)C)cc1 ZINC000292248909 520963324 /nfs/dbraw/zinc/96/33/24/520963324.db2.gz UINUUHKRNJSTQP-UHFFFAOYSA-N 0 1 299.418 3.594 20 0 CHADMN CCCCS[C@@H](C)c1nc([C@@H](N)CC(C)C)no1 ZINC000339393817 520967151 /nfs/dbraw/zinc/96/71/51/520967151.db2.gz HOMCXONMENAOGP-QWRGUYRKSA-N 0 1 271.430 3.710 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccco2)cc1OC ZINC000035136847 521006175 /nfs/dbraw/zinc/00/61/75/521006175.db2.gz LVJBIAULEVEXIF-LBPRGKRZSA-N 0 1 275.348 3.538 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN[C@@H]1CSC[C@@H]1C ZINC000352791523 534532476 /nfs/dbraw/zinc/53/24/76/534532476.db2.gz IPNUOUWHEMYLKM-JOYOIKCWSA-N 0 1 294.445 3.553 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263582633 521066667 /nfs/dbraw/zinc/06/66/67/521066667.db2.gz YVSSFIAAHKIWSD-BBRMVZONSA-N 0 1 275.392 3.785 20 0 CHADMN CCCC[C@@H](NCc1ccnc(C)n1)c1ccc(OC)cc1 ZINC000339242845 521100660 /nfs/dbraw/zinc/10/06/60/521100660.db2.gz XXXBVHXQEQIQJA-GOSISDBHSA-N 0 1 299.418 3.815 20 0 CHADMN CCCC[C@H](COC)NCc1ccnc(Cl)c1Cl ZINC000290971590 521198881 /nfs/dbraw/zinc/19/88/81/521198881.db2.gz XNSKUBCWVHAAAU-LLVKDONJSA-N 0 1 291.222 3.683 20 0 CHADMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263558755 521262089 /nfs/dbraw/zinc/26/20/89/521262089.db2.gz AKYVQXOXXVDQRT-CJNGLKHVSA-N 0 1 275.392 3.785 20 0 CHADMN CCCCc1nc(CN(C)CC2CCC2)cs1 ZINC000111297343 521291403 /nfs/dbraw/zinc/29/14/03/521291403.db2.gz KACVEFZZVMUAFJ-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN CCN(Cc1cnn(CC(C)C)c1)Cc1ccccc1C ZINC000340946435 521440158 /nfs/dbraw/zinc/44/01/58/521440158.db2.gz JHYQDJSJNVTANC-UHFFFAOYSA-N 0 1 285.435 3.870 20 0 CHADMN Cc1occc1CN(C)C/C=C\c1ccc(F)cc1 ZINC000352671084 534565159 /nfs/dbraw/zinc/56/51/59/534565159.db2.gz KRCPCVKINBEVQQ-ARJAWSKDSA-N 0 1 259.324 3.872 20 0 CHADMN Cc1occc1CN(C)Cc1ccc2occc2c1 ZINC000347854813 534565288 /nfs/dbraw/zinc/56/52/88/534565288.db2.gz RSYIJASVOQTDDQ-UHFFFAOYSA-N 0 1 255.317 3.966 20 0 CHADMN CCCc1nc(C)c(CN[C@H](C)c2ccc(OC)cc2)o1 ZINC000293221211 521500695 /nfs/dbraw/zinc/50/06/95/521500695.db2.gz AMBRYIFTRONHAA-GFCCVEGCSA-N 0 1 288.391 3.795 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1ccccc1Oc1ccccc1 ZINC000263564972 521560933 /nfs/dbraw/zinc/56/09/33/521560933.db2.gz FFCUCPSWCHIOIU-UHFFFAOYSA-N 0 1 299.370 3.776 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])[C@H](C)c1ccc(C(C)C)cc1 ZINC000086776166 521563084 /nfs/dbraw/zinc/56/30/84/521563084.db2.gz IEMLEHZNSTYAPC-CYBMUJFWSA-N 0 1 263.381 3.668 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000086775756 521563458 /nfs/dbraw/zinc/56/34/58/521563458.db2.gz FCZXYCDSPKDSPZ-CYBMUJFWSA-N 0 1 277.408 3.842 20 0 CHADMN CCOc1ccccc1[C@H](CC)NCc1cncc(F)c1 ZINC000275131604 521588488 /nfs/dbraw/zinc/58/84/88/521588488.db2.gz BXIQEMPZBWMXIC-INIZCTEOSA-N 0 1 288.366 3.860 20 0 CHADMN CCCn1cc(CN[C@@H](C)c2ccccc2SC)cn1 ZINC000337257741 521653233 /nfs/dbraw/zinc/65/32/33/521653233.db2.gz OEFMZHPIPUFZAO-ZDUSSCGKSA-N 0 1 289.448 3.866 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H]2CCCC[C@H]2C)n1 ZINC000248392792 521729707 /nfs/dbraw/zinc/72/97/07/521729707.db2.gz FYXFWTIIIINORD-IJLUTSLNSA-N 0 1 283.441 3.552 20 0 CHADMN CC[C@@H](C(=O)Nc1ccccc1)N(C)Cc1ccccc1 ZINC000339236805 521873646 /nfs/dbraw/zinc/87/36/46/521873646.db2.gz IMEYFFBBSWNBSC-KRWDZBQOSA-N 0 1 282.387 3.536 20 0 CHADMN CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000299397806 521907589 /nfs/dbraw/zinc/90/75/89/521907589.db2.gz CVBMPOOIFSENQP-IUODEOHRSA-N 0 1 285.391 3.581 20 0 CHADMN CN(C)Cc1ccc(NC[C@H]2CCSC2)cc1Cl ZINC000280149127 521909238 /nfs/dbraw/zinc/90/92/38/521909238.db2.gz DPSPDOBWDDCLJG-LLVKDONJSA-N 0 1 284.856 3.567 20 0 CHADMN CN(C)Cc1ccc(NC[C@@H]2CCSC2)cc1Cl ZINC000280149132 521910064 /nfs/dbraw/zinc/91/00/64/521910064.db2.gz DPSPDOBWDDCLJG-NSHDSACASA-N 0 1 284.856 3.567 20 0 CHADMN CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263573519 522009724 /nfs/dbraw/zinc/00/97/24/522009724.db2.gz MLSYHLNNMSQTBB-XJKSGUPXSA-N 0 1 275.392 3.785 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2ccccc2F)n[nH]1 ZINC000277094937 522056572 /nfs/dbraw/zinc/05/65/72/522056572.db2.gz GQNIHWIOLFFSAD-TUAOUCFPSA-N 0 1 290.386 3.869 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@H](C)c1ccncc1F ZINC000340317583 522087482 /nfs/dbraw/zinc/08/74/82/522087482.db2.gz QMIDDZPVLKWORL-VXGBXAGGSA-N 0 1 273.355 3.590 20 0 CHADMN CCc1nc(C)c(CNC/C(C)=C/c2ccccc2)o1 ZINC000291690911 522204644 /nfs/dbraw/zinc/20/46/44/522204644.db2.gz JBEQXGKROIOUTP-JLHYYAGUSA-N 0 1 270.376 3.739 20 0 CHADMN CCc1nc(C)c(CN[C@@H](C)c2ccccc2C)o1 ZINC000291892203 522205796 /nfs/dbraw/zinc/20/57/96/522205796.db2.gz KSONFWIUHFLUMJ-LBPRGKRZSA-N 0 1 258.365 3.705 20 0 CHADMN CCc1nc(C)c(CN[C@@H]2CCc3cc(Cl)ccc32)o1 ZINC000291946780 522208721 /nfs/dbraw/zinc/20/87/21/522208721.db2.gz QLHFISQVXPPKOK-CQSZACIVSA-N 0 1 290.794 3.976 20 0 CHADMN CCc1nc(C)c(CN[C@H](CC)c2ccccc2)o1 ZINC000291961115 522211076 /nfs/dbraw/zinc/21/10/76/522211076.db2.gz RYVPJFCJPNQMDS-CQSZACIVSA-N 0 1 258.365 3.786 20 0 CHADMN CCc1nc(CN2CC[C@@H](CC(C)C)C2)cs1 ZINC000074994018 522318559 /nfs/dbraw/zinc/31/85/59/522318559.db2.gz ZPNJBIUNAJTKDQ-LBPRGKRZSA-N 0 1 252.427 3.574 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1ncnn1-c1ccccc1 ZINC000337197158 522333449 /nfs/dbraw/zinc/33/34/49/522333449.db2.gz WVAVLPSHRVPQTB-WBVHZDCISA-N 0 1 298.434 3.668 20 0 CHADMN COc1cc(CN(Cc2ccccn2)C2CC2)ccc1C ZINC000290425195 522362677 /nfs/dbraw/zinc/36/26/77/522362677.db2.gz KZQDZVBUNFFEOE-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN COC[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccncc1 ZINC000278917341 522430319 /nfs/dbraw/zinc/43/03/19/522430319.db2.gz LHJIOHAQJFXVHD-INIZCTEOSA-N 0 1 290.794 3.555 20 0 CHADMN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCCC1 ZINC000043304372 522434525 /nfs/dbraw/zinc/43/45/25/522434525.db2.gz XUXQDRYPQXUITI-ZIAGYGMSSA-N 0 1 274.408 3.623 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)Nc2nc3ccccc3o2)n[nH]1 ZINC000277532212 522441012 /nfs/dbraw/zinc/44/10/12/522441012.db2.gz YLTDUGPYRMBIGB-ZJUUUORDSA-N 0 1 285.351 3.633 20 0 CHADMN COC[C@@H]1CCCN(c2cc(C)nc3ccc(F)cc32)C1 ZINC000125966368 522461616 /nfs/dbraw/zinc/46/16/16/522461616.db2.gz VQSNSFOWJYLTGE-CYBMUJFWSA-N 0 1 288.366 3.545 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1ccncc1F ZINC000340359286 522488467 /nfs/dbraw/zinc/48/84/67/522488467.db2.gz OLLYWPGMBHBIOE-IUCAKERBSA-N 0 1 264.266 3.602 20 0 CHADMN CC[C@H](NC1CC(F)(F)C1)c1ccc(F)cc1F ZINC000277136352 522560418 /nfs/dbraw/zinc/56/04/18/522560418.db2.gz OWBHYYACCCPWRJ-LBPRGKRZSA-N 0 1 261.262 3.803 20 0 CHADMN COc1cc(F)cc(CN[C@H]2CCc3ccc(F)cc32)c1 ZINC000093899256 522598755 /nfs/dbraw/zinc/59/87/55/522598755.db2.gz ZWYRVLHFQNLKAJ-KRWDZBQOSA-N 0 1 289.325 3.751 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccnn1C)c1ccc(Cl)s1 ZINC000278886171 522698403 /nfs/dbraw/zinc/69/84/03/522698403.db2.gz YEFKYFUYGSBVCZ-UWVGGRQHSA-N 0 1 283.828 3.937 20 0 CHADMN COC[C@H](N[C@H](C)c1cccnc1)c1cccc(Cl)c1 ZINC000290504825 522768345 /nfs/dbraw/zinc/76/83/45/522768345.db2.gz YHPQKATWFIDIOV-WBMJQRKESA-N 0 1 290.794 3.773 20 0 CHADMN CC[C@H](OC1CCCC1)c1nc([C@H](N)CC(C)C)no1 ZINC000339387784 522853421 /nfs/dbraw/zinc/85/34/21/522853421.db2.gz PESMAMSYIPSFBI-OLZOCXBDSA-N 0 1 281.400 3.526 20 0 CHADMN CC[C@@H](NCc1cc(C)no1)c1ccc(Cl)cc1 ZINC000044299660 522868943 /nfs/dbraw/zinc/86/89/43/522868943.db2.gz JDUPYNQQSVRNHV-CQSZACIVSA-N 0 1 264.756 3.877 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)N1CCCOCC1 ZINC000363375178 522930128 /nfs/dbraw/zinc/93/01/28/522930128.db2.gz PZWXTJDTKUQMIY-CQSZACIVSA-N 0 1 253.773 3.513 20 0 CHADMN CC[C@H](c1cccc(OC)c1)N(C)Cc1cncs1 ZINC000290148947 522937869 /nfs/dbraw/zinc/93/78/69/522937869.db2.gz KXZDMKZYVDUCGU-OAHLLOKOSA-N 0 1 276.405 3.735 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CCCC(=O)[O-])CC(C)C ZINC000262284459 522942079 /nfs/dbraw/zinc/94/20/79/522942079.db2.gz WHNAHFQQYOSTBJ-MRXNPFEDSA-N 0 1 277.408 3.961 20 0 CHADMN CCc1nocc1CN[C@@H]1CCCc2ccc(C)cc21 ZINC000339405102 522951852 /nfs/dbraw/zinc/95/18/52/522951852.db2.gz XYCMQPJRJBNGNE-QGZVFWFLSA-N 0 1 270.376 3.713 20 0 CHADMN COc1cc2c(cc1F)CC[C@H]2NCc1occc1C ZINC000337878369 523014307 /nfs/dbraw/zinc/01/43/07/523014307.db2.gz WGHFJYYOGJFBGX-CQSZACIVSA-N 0 1 275.323 3.513 20 0 CHADMN CC[C@@H](c1cccc(OC)c1)N(C)Cc1cc(C)no1 ZINC000289424814 523094813 /nfs/dbraw/zinc/09/48/13/523094813.db2.gz NAYGKNSUWMTVAY-INIZCTEOSA-N 0 1 274.364 3.575 20 0 CHADMN COCc1ccccc1CNCc1cc(F)c(F)c(F)c1 ZINC000062707899 523104090 /nfs/dbraw/zinc/10/40/90/523104090.db2.gz XSZQPSAGZXOUDJ-UHFFFAOYSA-N 0 1 295.304 3.540 20 0 CHADMN CCn1cc([C@H](C)N[C@@H](C)c2cc(C)oc2C)cn1 ZINC000044730084 523476622 /nfs/dbraw/zinc/47/66/22/523476622.db2.gz ABJSRLOSOYXPNH-RYUDHWBXSA-N 0 1 261.369 3.525 20 0 CHADMN CN(Cc1nc(-c2ccccc2)cs1)[C@H]1CCSC1 ZINC000130554027 523546194 /nfs/dbraw/zinc/54/61/94/523546194.db2.gz FCENRRRYUQZSSI-ZDUSSCGKSA-N 0 1 290.457 3.747 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000296135456 523552521 /nfs/dbraw/zinc/55/25/21/523552521.db2.gz VYGHHLYXECSBTI-GDBMZVCRSA-N 0 1 271.408 3.951 20 0 CHADMN CCn1nc(CNCc2cccc(C)c2)c2ccccc21 ZINC000089174152 523680273 /nfs/dbraw/zinc/68/02/73/523680273.db2.gz UFOTYKZAGBYJSH-UHFFFAOYSA-N 0 1 279.387 3.654 20 0 CHADMN COCCN(Cc1cnc(C)s1)[C@H](C)c1ccccc1 ZINC000299378802 523769747 /nfs/dbraw/zinc/76/97/47/523769747.db2.gz GQGMHNGZFJLKIT-CYBMUJFWSA-N 0 1 290.432 3.661 20 0 CHADMN CCc1cc(OC)ccc1CNc1ccc2c(c1)CN(C)C2 ZINC000337270937 523841178 /nfs/dbraw/zinc/84/11/78/523841178.db2.gz BIOCUEOSDVUSEN-UHFFFAOYSA-N 0 1 296.414 3.815 20 0 CHADMN Cc1ncc(CN[C@H]2CCCc3c(C)ccc(C)c32)o1 ZINC000335281391 534744620 /nfs/dbraw/zinc/74/46/20/534744620.db2.gz SJPDEACFOGRPKH-INIZCTEOSA-N 0 1 270.376 3.767 20 0 CHADMN CCc1ccc(CN(CC)Cc2ccc(OC)cc2)nc1 ZINC000338916749 523922064 /nfs/dbraw/zinc/92/20/64/523922064.db2.gz UIRKLFWWEOYYDE-UHFFFAOYSA-N 0 1 284.403 3.675 20 0 CHADMN COc1ccc(CN(Cc2cccs2)C2CC2)cc1O ZINC000130247125 524015762 /nfs/dbraw/zinc/01/57/62/524015762.db2.gz KICROLWAQXFEOF-UHFFFAOYSA-N 0 1 289.400 3.627 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cccc(C)c2)c(OC)c1 ZINC000104151764 524083597 /nfs/dbraw/zinc/08/35/97/524083597.db2.gz FLWIHIBNTNBCBU-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN C[C@H]1CCCN(Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000061757105 524098123 /nfs/dbraw/zinc/09/81/23/524098123.db2.gz XYOZNZBVMJARMR-NSHDSACASA-N 0 1 291.782 3.622 20 0 CHADMN Cc1cccc(/C=C/c2nc([C@@H](N)CC(C)C)no2)c1 ZINC000339387928 524152805 /nfs/dbraw/zinc/15/28/05/524152805.db2.gz RNUHLMKTMBSLLY-NPQIQWPPSA-N 0 1 271.364 3.594 20 0 CHADMN Cc1cc(C(C)(C)C)cc(C)c1C[N@H+](C)[C@@H](C)C(=O)[O-] ZINC000054069606 524199647 /nfs/dbraw/zinc/19/96/47/524199647.db2.gz NXRIZHCLARZAQZ-ZDUSSCGKSA-N 0 1 277.408 3.506 20 0 CHADMN Cc1cccc(C(C)(C)NCc2nc3ccccc3n2C)c1 ZINC000076764247 524232102 /nfs/dbraw/zinc/23/21/02/524232102.db2.gz UZTYAFAMPXGVPD-UHFFFAOYSA-N 0 1 293.414 3.907 20 0 CHADMN Cc1cccc(C(C)(C)NCc2cnc([C@@H](C)O)s2)c1 ZINC000290427013 524232530 /nfs/dbraw/zinc/23/25/30/524232530.db2.gz RIIGDLUWCXXMAX-GFCCVEGCSA-N 0 1 290.432 3.530 20 0 CHADMN Cc1cc(C)c(CNCc2ncccc2C)c(C)c1 ZINC000071339085 524270276 /nfs/dbraw/zinc/27/02/76/524270276.db2.gz GLMRWMMDPBHOGY-UHFFFAOYSA-N 0 1 254.377 3.605 20 0 CHADMN C[C@H]1CCN(Cc2coc(-c3cccs3)n2)[C@H]1C ZINC000248344039 524297821 /nfs/dbraw/zinc/29/78/21/524297821.db2.gz LBHVBWWMCXOQLI-QWRGUYRKSA-N 0 1 262.378 3.633 20 0 CHADMN Cc1ccc(CCC(=O)Nc2c(C)n[nH]c2C(F)F)s1 ZINC000290524571 524302250 /nfs/dbraw/zinc/30/22/50/524302250.db2.gz ZVGXPNXGVVHMCC-UHFFFAOYSA-N 0 1 299.346 3.597 20 0 CHADMN Cc1ccc(CCC(=O)Nc2cc3cn[nH]c3cc2C)s1 ZINC000290776091 524302928 /nfs/dbraw/zinc/30/29/28/524302928.db2.gz BRAULYMHJQYOHK-UHFFFAOYSA-N 0 1 299.399 3.813 20 0 CHADMN COc1ccccc1/C=C/CN1CCC[C@H]1c1ccc[nH]1 ZINC000127479545 524316955 /nfs/dbraw/zinc/31/69/55/524316955.db2.gz ZNTLKMQLBULIHJ-JZLODUJNSA-N 0 1 282.387 3.874 20 0 CHADMN COc1ccccc1C(C)(C)NCc1ccc(F)nc1C ZINC000278513242 524364645 /nfs/dbraw/zinc/36/46/45/524364645.db2.gz PBMHCOAVOGUWRN-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN Cc1cccc(CN(Cc2cccnc2)C2CC2)c1 ZINC000071122172 524384065 /nfs/dbraw/zinc/38/40/65/524384065.db2.gz YSDKRZPMTXTPRJ-UHFFFAOYSA-N 0 1 252.361 3.555 20 0 CHADMN Cc1ccc(CN2CCC(OCC3CCCC3)CC2)nc1 ZINC000156696718 524439166 /nfs/dbraw/zinc/43/91/66/524439166.db2.gz JMXRTUVLDUSGFG-UHFFFAOYSA-N 0 1 288.435 3.561 20 0 CHADMN Cc1cccc(CNc2cc(C)nc3ccc(F)cc32)n1 ZINC000121712013 524440148 /nfs/dbraw/zinc/44/01/48/524440148.db2.gz MWXRKCQGZCDBGO-UHFFFAOYSA-N 0 1 281.334 3.998 20 0 CHADMN Cc1cc(C)cc([C@H](C)NCc2ncccc2C)c1 ZINC000130558393 524470433 /nfs/dbraw/zinc/47/04/33/524470433.db2.gz RDFISFYBDZKABI-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN Cc1cccc(Cl)c1NC(=O)CN(C)CC1CCCC1 ZINC000130885060 524481833 /nfs/dbraw/zinc/48/18/33/524481833.db2.gz PMHVDDIFMLQZEC-UHFFFAOYSA-N 0 1 294.826 3.709 20 0 CHADMN C[C@@H]1CCN(Cc2coc(-c3cccs3)n2)[C@H]1C ZINC000248344038 524516289 /nfs/dbraw/zinc/51/62/89/524516289.db2.gz LBHVBWWMCXOQLI-MNOVXSKESA-N 0 1 262.378 3.633 20 0 CHADMN Cc1ccc(CNC2(c3ccccc3F)CC2)s1 ZINC000076766559 524569948 /nfs/dbraw/zinc/56/99/48/524569948.db2.gz IUFCFYKIZPKPHS-UHFFFAOYSA-N 0 1 261.365 3.975 20 0 CHADMN C[C@@H]1CC[C@@H](CN2CC[C@H]2c2ccc(Cl)cc2)O1 ZINC000276400713 524591123 /nfs/dbraw/zinc/59/11/23/524591123.db2.gz CBSNHBKMRFZXKO-UGFHNGPFSA-N 0 1 265.784 3.654 20 0 CHADMN C[C@H]1CN(Cc2ccc(C(F)F)cc2)C[C@@H](C2CC2)O1 ZINC000279346471 524618152 /nfs/dbraw/zinc/61/81/52/524618152.db2.gz QCXXBRRTWVTAKQ-NHYWBVRUSA-N 0 1 281.346 3.624 20 0 CHADMN C[C@@H]1CC[C@H](CN2CC[C@H]2c2ccc(Cl)cc2)O1 ZINC000276400675 524672648 /nfs/dbraw/zinc/67/26/48/524672648.db2.gz CBSNHBKMRFZXKO-DFBGVHRSSA-N 0 1 265.784 3.654 20 0 CHADMN Cc1cccc(NCCCCOCCc2ccccc2)n1 ZINC000157139704 524673255 /nfs/dbraw/zinc/67/32/55/524673255.db2.gz TZLIVZJMDYUGKB-UHFFFAOYSA-N 0 1 284.403 3.841 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2C)C(C)(C)C)ncn1 ZINC000293344954 524779325 /nfs/dbraw/zinc/77/93/25/524779325.db2.gz XOLVDWHTPGEWLK-QGZVFWFLSA-N 0 1 283.419 3.970 20 0 CHADMN Cc1cccc([C@H](C)N2CCOc3cc(O)ccc3C2)c1 ZINC000353156443 524868899 /nfs/dbraw/zinc/86/88/99/524868899.db2.gz RPIIZSYRCDCFBH-AWEZNQCLSA-N 0 1 283.371 3.656 20 0 CHADMN C[C@H]1C[C@H](NCc2cc3ccccc3s2)c2nccn21 ZINC000295146453 524924206 /nfs/dbraw/zinc/92/42/06/524924206.db2.gz CENFMIGMHOAZBP-FZMZJTMJSA-N 0 1 283.400 3.893 20 0 CHADMN Cc1cc(F)ccc1CN[C@H]1CCOc2ccc(F)cc21 ZINC000068985451 524979664 /nfs/dbraw/zinc/97/96/64/524979664.db2.gz WFMBXEXKYWPILY-INIZCTEOSA-N 0 1 289.325 3.887 20 0 CHADMN COc1ncccc1CN[C@@H](C)c1ccc(Cl)cc1 ZINC000037650492 525060773 /nfs/dbraw/zinc/06/07/73/525060773.db2.gz DOUPLGAXPDXKQJ-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN Cc1cc(N[C@@H]2CCOC[C@H]2C)c2cc(F)ccc2n1 ZINC000277403550 525296225 /nfs/dbraw/zinc/29/62/25/525296225.db2.gz HGJJLTCXRCCPIN-QMTHXVAHSA-N 0 1 274.339 3.519 20 0 CHADMN Cc1cc(N[C@H](CO)c2ccccc2)c2cc(F)ccc2n1 ZINC000121246553 525302919 /nfs/dbraw/zinc/30/29/19/525302919.db2.gz WCFJHNBGMWIKJS-GOSISDBHSA-N 0 1 296.345 3.828 20 0 CHADMN Cc1ccc(N[C@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000292052929 525318814 /nfs/dbraw/zinc/31/88/14/525318814.db2.gz GDNBEJIQFUZKAW-HNNXBMFYSA-N 0 1 270.380 3.847 20 0 CHADMN Cc1ccccc1SCc1nc([C@H](N)CC(C)C)no1 ZINC000339385515 525339343 /nfs/dbraw/zinc/33/93/43/525339343.db2.gz PSTLUCWYNJTLNJ-GFCCVEGCSA-N 0 1 291.420 3.716 20 0 CHADMN C[C@@H](NC(=O)c1cccc2nc[nH]c21)c1ccccc1Cl ZINC000157845584 525345896 /nfs/dbraw/zinc/34/58/96/525345896.db2.gz GCGYXIAYFDXPIY-SNVBAGLBSA-N 0 1 299.761 3.707 20 0 CHADMN C[C@H](NC[C@@](C)(O)c1ccccc1)c1c(F)cccc1F ZINC000264899819 525399882 /nfs/dbraw/zinc/39/98/82/525399882.db2.gz VVGCFQYIUCROKL-YVEFUNNKSA-N 0 1 291.341 3.523 20 0 CHADMN C[C@H](NC[C@H]1CCCC[C@@H]1C)c1nc(C(C)(C)C)no1 ZINC000237538422 525414408 /nfs/dbraw/zinc/41/44/08/525414408.db2.gz UDPWXJIAAJMFMD-RWMBFGLXSA-N 0 1 279.428 3.844 20 0 CHADMN C[C@@H](NCCOC1CCCCC1)c1ccc(Cl)cn1 ZINC000274930835 525451440 /nfs/dbraw/zinc/45/14/40/525451440.db2.gz QVIXJRCLCOMNAA-GFCCVEGCSA-N 0 1 282.815 3.735 20 0 CHADMN C[C@@H](NCC[C@H](O)c1ccccc1)c1c(F)cccc1F ZINC000299728975 525458379 /nfs/dbraw/zinc/45/83/79/525458379.db2.gz WAARYJASEIHQOO-WBMJQRKESA-N 0 1 291.341 3.739 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc([C@@H](C)O)cc2)c(C)o1 ZINC000278222844 525466980 /nfs/dbraw/zinc/46/69/80/525466980.db2.gz JFNOIBRVHRKFHC-CHWSQXEVSA-N 0 1 273.376 3.801 20 0 CHADMN C[C@H](NCc1cncs1)c1ccc2c(c1)CCCC2 ZINC000054770908 525481647 /nfs/dbraw/zinc/48/16/47/525481647.db2.gz ARZPHKVHACMOBB-LBPRGKRZSA-N 0 1 272.417 3.873 20 0 CHADMN C[C@H](NCc1n[nH]c(C(C)(C)C)n1)c1ccc(Cl)cc1 ZINC000292966551 525487153 /nfs/dbraw/zinc/48/71/53/525487153.db2.gz PRDXVGYHTIMCMO-JTQLQIEISA-N 0 1 292.814 3.606 20 0 CHADMN C[C@@H](NCc1cc(Cl)cs1)c1cccnc1 ZINC000086332207 525513874 /nfs/dbraw/zinc/51/38/74/525513874.db2.gz XMPSKJNBRYFKGS-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN Cc1cccnc1CNCc1ccc(OC(F)(F)F)cc1 ZINC000071339219 525524329 /nfs/dbraw/zinc/52/43/29/525524329.db2.gz LGWGTHMSCLPSEG-UHFFFAOYSA-N 0 1 296.292 3.578 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c(C)o1 ZINC000278668071 525526243 /nfs/dbraw/zinc/52/62/43/525526243.db2.gz JBRSNVJNFAKSLQ-QWRGUYRKSA-N 0 1 276.384 3.550 20 0 CHADMN C[C@@H](NCc1ccc(OC2CCCC2)cc1)c1ccnn1C ZINC000278886292 525528208 /nfs/dbraw/zinc/52/82/08/525528208.db2.gz YGEJUSQXDRTSFM-CQSZACIVSA-N 0 1 299.418 3.592 20 0 CHADMN C[C@@H](NCc1ccc2c(c1)OCO2)c1cc(F)cc(F)c1 ZINC000094826190 525531509 /nfs/dbraw/zinc/53/15/09/525531509.db2.gz XVJLFYWQBMLLIS-SNVBAGLBSA-N 0 1 291.297 3.544 20 0 CHADMN C[C@@H](NCc1ccccc1N(C)C)c1ccccc1F ZINC000263862955 525538387 /nfs/dbraw/zinc/53/83/87/525538387.db2.gz XDMZVKNYKJFZRV-CYBMUJFWSA-N 0 1 272.367 3.743 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccccc1)c1cccc(Cl)c1 ZINC000062999242 525543160 /nfs/dbraw/zinc/54/31/60/525543160.db2.gz UQZZGCGSTDANDS-LRDDRELGSA-N 0 1 275.779 3.724 20 0 CHADMN C[C@@H](NCc1ccco1)c1ccc(OC(F)F)cc1 ZINC000020084001 525543318 /nfs/dbraw/zinc/54/33/18/525543318.db2.gz WVAIVSKSELOFEW-SNVBAGLBSA-N 0 1 267.275 3.732 20 0 CHADMN Cc1cccnc1[C@@H](N[C@H](C)c1cncs1)C(C)C ZINC000120518741 525549306 /nfs/dbraw/zinc/54/93/06/525549306.db2.gz KXWLESQCQLFYAD-OCCSQVGLSA-N 0 1 275.421 3.894 20 0 CHADMN C[C@@H](NCc1cncc(F)c1)c1cccc(N2CCCC2)c1 ZINC000275043298 525551608 /nfs/dbraw/zinc/55/16/08/525551608.db2.gz HWYLZQYNLVSRNI-CQSZACIVSA-N 0 1 299.393 3.672 20 0 CHADMN C[C@H](N[C@@H]1CCCc2nn(C)cc21)c1cc2ccccc2o1 ZINC000280186683 525563920 /nfs/dbraw/zinc/56/39/20/525563920.db2.gz RXUNALUOVLEFJI-SWLSCSKDSA-N 0 1 295.386 3.895 20 0 CHADMN C[C@H](N[C@@H]1CCCc2ccccc21)c1nccs1 ZINC000070984361 525564938 /nfs/dbraw/zinc/56/49/38/525564938.db2.gz HZOIXCTUSKGOAF-SMDDNHRTSA-N 0 1 258.390 3.871 20 0 CHADMN C[C@H](N[C@H](CO)c1ccccc1)c1cccc(Cl)c1 ZINC000062999244 525595739 /nfs/dbraw/zinc/59/57/39/525595739.db2.gz UQZZGCGSTDANDS-BLLLJJGKSA-N 0 1 275.779 3.724 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1cc2cccc(F)c2o1 ZINC000353381154 525622962 /nfs/dbraw/zinc/62/29/62/525622962.db2.gz LWXFGCDIQLYWAO-WDEREUQCSA-N 0 1 287.338 3.717 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccccc2Cl)c1 ZINC000338641329 525633678 /nfs/dbraw/zinc/63/36/78/525633678.db2.gz GWLDQZCVYJPONW-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN C[C@H](N[C@H]1C[C@H](C)Sc2sccc21)c1cnn(C)c1 ZINC000163872089 525636382 /nfs/dbraw/zinc/63/63/82/525636382.db2.gz WNCQSVPZHKKVFN-KWBADKCTSA-N 0 1 293.461 3.758 20 0 CHADMN C[C@@H](N[C@@H]1C[C@@H](C)Sc2sccc21)c1cn[nH]c1 ZINC000336784465 525651826 /nfs/dbraw/zinc/65/18/26/525651826.db2.gz YACYZHGXLVRCCV-KBVBSXBZSA-N 0 1 279.434 3.747 20 0 CHADMN C[C@@H](N[C@H](C)c1cc(F)cc(F)c1)c1cccnc1 ZINC000094826220 525658205 /nfs/dbraw/zinc/65/82/05/525658205.db2.gz CQPOLAVPGJAJJV-GHMZBOCLSA-N 0 1 262.303 3.772 20 0 CHADMN C[C@@H](N[C@H]1CSc2ccccc21)c1cccc(O)c1 ZINC000156271533 525693050 /nfs/dbraw/zinc/69/30/50/525693050.db2.gz CIQGAPUTPFNOTJ-ABAIWWIYSA-N 0 1 271.385 3.890 20 0 CHADMN CSCc1cccc(CNCc2cc(O)cc(F)c2)c1 ZINC000275561287 525737449 /nfs/dbraw/zinc/73/74/49/525737449.db2.gz DVNAEDWAAHQZEC-UHFFFAOYSA-N 0 1 291.391 3.684 20 0 CHADMN Cc1ccoc1CNCc1cccc(OCC(F)(F)F)c1 ZINC000266175563 525803496 /nfs/dbraw/zinc/80/34/96/525803496.db2.gz DUFZQYQOAGFNHN-UHFFFAOYSA-N 0 1 299.292 3.819 20 0 CHADMN Cc1ccc(-c2nc([C@@H](N)CC(C)C)no2)cc1Cl ZINC000339396492 525820071 /nfs/dbraw/zinc/82/00/71/525820071.db2.gz XCPJSSLESPAKSE-LBPRGKRZSA-N 0 1 279.771 3.744 20 0 CHADMN Cc1c([C@@H](C)NCc2ccc(F)c(F)c2)cnn1C(C)C ZINC000276292898 525896270 /nfs/dbraw/zinc/89/62/70/525896270.db2.gz BQRMAFMPNSCXEX-LLVKDONJSA-N 0 1 293.361 3.901 20 0 CHADMN COc1cccc(CN(C)Cc2cnc3ccccc3c2)c1 ZINC000337124151 525916486 /nfs/dbraw/zinc/91/64/86/525916486.db2.gz COSFNNFKWVYAEH-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN Cc1ccc([C@H](C)NCc2n[nH]c(C(C)(C)C)n2)cc1C ZINC000292891138 525931129 /nfs/dbraw/zinc/93/11/29/525931129.db2.gz JFFGZYUYMCDOQG-ZDUSSCGKSA-N 0 1 286.423 3.570 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](CO)c2cccc(F)c2)s1 ZINC000358175751 525938137 /nfs/dbraw/zinc/93/81/37/525938137.db2.gz MUEJIDHGSXRXET-FZMZJTMJSA-N 0 1 279.380 3.580 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCc3ccncc3)n2)o1 ZINC000340924254 525958063 /nfs/dbraw/zinc/95/80/63/525958063.db2.gz CGRQEHIGJAGDRQ-SNAWJCMRSA-N 0 1 298.371 3.564 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCCC3CC3)n2)o1 ZINC000340662689 525964266 /nfs/dbraw/zinc/96/42/66/525964266.db2.gz XYYZOJAGAYIXOA-SREVYHEPSA-N 0 1 275.377 3.769 20 0 CHADMN Cc1ccc([C@H](NCc2cc(F)ncc2F)C2CC2)cc1 ZINC000296476782 525968874 /nfs/dbraw/zinc/96/88/74/525968874.db2.gz PTPFDICAIZPMOA-KRWDZBQOSA-N 0 1 288.341 3.909 20 0 CHADMN Cc1ccc([C@H](NCCOC(C)(C)C)c2ccccn2)cc1 ZINC000279987235 525969906 /nfs/dbraw/zinc/96/99/06/525969906.db2.gz IOBPLZGQSMRQQS-SFHVURJKSA-N 0 1 298.430 3.884 20 0 CHADMN Cc1ccc([C@H](N[C@H]2CCC[C@@H]2F)C2CCC2)o1 ZINC000340524160 525971379 /nfs/dbraw/zinc/97/13/79/525971379.db2.gz KNGIPDSFIPSKTK-KCQAQPDRSA-N 0 1 251.345 3.909 20 0 CHADMN Cc1ccc([C@H]2CCCCCN2Cc2cc(C)ncn2)o1 ZINC000292404536 525990570 /nfs/dbraw/zinc/99/05/70/525990570.db2.gz JTMRUCVRTWISNT-MRXNPFEDSA-N 0 1 285.391 3.804 20 0 CHADMN Cc1cnc(CN2CCCC[C@H]2CCC(C)C)nc1 ZINC000340699856 526017832 /nfs/dbraw/zinc/01/78/32/526017832.db2.gz ICYIWKNOSNEBTM-HNNXBMFYSA-N 0 1 261.413 3.576 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccc(OC)cc2F)c1 ZINC000037680581 526030410 /nfs/dbraw/zinc/03/04/10/526030410.db2.gz CPSRIJJWKAPPJX-LBPRGKRZSA-N 0 1 289.350 3.694 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(OC(C)C)c(Cl)c1 ZINC000289820260 526033693 /nfs/dbraw/zinc/03/36/93/526033693.db2.gz JDWYXVODSWAZDR-UHFFFAOYSA-N 0 1 279.771 3.771 20 0 CHADMN C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226456119 526034204 /nfs/dbraw/zinc/03/42/04/526034204.db2.gz DHYPJOMUOLSDJD-NEPJUHHUSA-N 0 1 297.345 3.603 20 0 CHADMN Cc1c[nH]nc1CN[C@@H](c1ccccc1C)C(C)(C)C ZINC000289658617 526034835 /nfs/dbraw/zinc/03/48/35/526034835.db2.gz YSMZNEFMBIXEGP-INIZCTEOSA-N 0 1 271.408 3.904 20 0 CHADMN Cc1cn[nH]c1CNc1ccccc1OC1CCCC1 ZINC000289592086 526037033 /nfs/dbraw/zinc/03/70/33/526037033.db2.gz UENGLTQDTGRJHC-UHFFFAOYSA-N 0 1 271.364 3.652 20 0 CHADMN COc1cccc(CN[C@H](C)c2cc(F)ccc2F)c1 ZINC000035256184 526037383 /nfs/dbraw/zinc/03/73/83/526037383.db2.gz JUBVKEDHGGFCLR-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN COc1cccc(CN[C@H](C)c2cc(F)cc(F)c2)c1 ZINC000094826960 526037692 /nfs/dbraw/zinc/03/76/92/526037692.db2.gz SDTCCSKMLOHHKC-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN Cc1cn[nH]c1CNc1cnn(-c2ccccc2)c1C(C)C ZINC000289556967 526038138 /nfs/dbraw/zinc/03/81/38/526038138.db2.gz QRSWUOKVJOYMHC-UHFFFAOYSA-N 0 1 295.390 3.639 20 0 CHADMN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cnn(C)c1 ZINC000079387397 526040073 /nfs/dbraw/zinc/04/00/73/526040073.db2.gz HEGMHPKCMQEJLF-JTQLQIEISA-N 0 1 298.217 3.920 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262128277 526051128 /nfs/dbraw/zinc/05/11/28/526051128.db2.gz KJGSBDHQZLDJJC-PVXIVEMSSA-N 0 1 293.794 3.588 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226455364 526058655 /nfs/dbraw/zinc/05/86/55/526058655.db2.gz IJIZDLQOQSPPFW-RYUDHWBXSA-N 0 1 297.345 3.603 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3Cc3ccccn3)[nH]c2c1 ZINC000289478229 526107122 /nfs/dbraw/zinc/10/71/22/526107122.db2.gz ZQBHPGDBDQDYDX-QGZVFWFLSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1cc(N[C@@H](C)c2cncs2)c2cc(F)ccc2n1 ZINC000340859285 526115470 /nfs/dbraw/zinc/11/54/70/526115470.db2.gz QMYLEZIFLQRMPM-JTQLQIEISA-N 0 1 287.363 3.734 20 0 CHADMN C[C@@H](c1cccnc1)N(C)Cc1ccc(Cl)cc1 ZINC000079876318 526120375 /nfs/dbraw/zinc/12/03/75/526120375.db2.gz CYXCLVMLWRQDSX-LBPRGKRZSA-N 0 1 260.768 3.928 20 0 CHADMN CSc1ccsc1-c1nc([C@H](N)CC(C)C)no1 ZINC000339388587 526195628 /nfs/dbraw/zinc/19/56/28/526195628.db2.gz FYTFLNDMGYYWOV-MRVPVSSYSA-N 0 1 283.422 3.566 20 0 CHADMN Cc1cncc(CNCc2cc(C)cc(Cl)c2)c1 ZINC000339327242 526205006 /nfs/dbraw/zinc/20/50/06/526205006.db2.gz BXNKQZWFDUYDMR-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN Cc1cncc(CN[C@H](C)c2ccccc2Cl)c1 ZINC000131099887 526206291 /nfs/dbraw/zinc/20/62/91/526206291.db2.gz BOQQRPLQSITHKL-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN Fc1cc(F)cc(CN2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278587564 526307219 /nfs/dbraw/zinc/30/72/19/526307219.db2.gz DBQBTMATUCXPBF-SECBINFHSA-N 0 1 279.252 3.739 20 0 CHADMN Fc1ccc(CN2CCC(c3ccsc3)CC2)nc1 ZINC000276273207 526331845 /nfs/dbraw/zinc/33/18/45/526331845.db2.gz SKXNEBYYQLVYKE-UHFFFAOYSA-N 0 1 276.380 3.662 20 0 CHADMN Fc1ccc(CN2CC[C@@H](CC(F)(F)F)C2)cc1F ZINC000278964088 526335865 /nfs/dbraw/zinc/33/58/65/526335865.db2.gz ZVDULMUHTWRSJU-JTQLQIEISA-N 0 1 279.252 3.739 20 0 CHADMN O=C(CC1CCC1)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000079783634 526352782 /nfs/dbraw/zinc/35/27/82/526352782.db2.gz GTWBASMXFKKPMQ-HNNXBMFYSA-N 0 1 299.374 3.543 20 0 CHADMN Fc1ccc([C@@H](NC2CCC3(CC3)CC2)c2ncc[nH]2)cc1 ZINC000278365895 526360916 /nfs/dbraw/zinc/36/09/16/526360916.db2.gz BUUXCLKGMXWOQK-MRXNPFEDSA-N 0 1 299.393 3.951 20 0 CHADMN Oc1cccc2c1CC[C@@H]2NCc1ccc(F)c(Cl)c1 ZINC000053149199 526366910 /nfs/dbraw/zinc/36/69/10/526366910.db2.gz ICSBTRHVLXHGAM-HNNXBMFYSA-N 0 1 291.753 3.962 20 0 CHADMN Cc1csc([C@H](C)NCc2c(C)cccc2C)n1 ZINC000160385330 526435642 /nfs/dbraw/zinc/43/56/42/526435642.db2.gz PLQWYGKPYCBULT-ZDUSSCGKSA-N 0 1 260.406 3.919 20 0 CHADMN Cc1n[nH]c(C)c1CN[C@H]1CCCc2sc(Cl)cc21 ZINC000291769411 526495216 /nfs/dbraw/zinc/49/52/16/526495216.db2.gz SNYUMXAQFYETGG-LBPRGKRZSA-N 0 1 295.839 3.909 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1cc(C)cc(C)c1 ZINC000130426929 526516553 /nfs/dbraw/zinc/51/65/53/526516553.db2.gz KQAMIRVUSKRDFA-GFCCVEGCSA-N 0 1 258.365 3.759 20 0 CHADMN Cc1noc(C)c1CN[C@H]1CCCc2sccc21 ZINC000071138342 526517184 /nfs/dbraw/zinc/51/71/84/526517184.db2.gz IKNJRSNPRQLKAF-ZDUSSCGKSA-N 0 1 262.378 3.520 20 0 CHADMN c1ccc2sc([C@@H]3CCCN3C[C@@H]3CCCO3)nc2c1 ZINC000072802768 526521398 /nfs/dbraw/zinc/52/13/98/526521398.db2.gz AGVRSXNSXIWOMY-JSGCOSHPSA-N 0 1 288.416 3.612 20 0 CHADMN Cc1n[nH]cc1CN(Cc1ccc(Cl)cc1)C1CC1 ZINC000130111688 526546326 /nfs/dbraw/zinc/54/63/26/526546326.db2.gz KTHXINIPDFHQPI-UHFFFAOYSA-N 0 1 275.783 3.536 20 0 CHADMN Cc1n[nH]cc1CN[C@@H]1CCSc2cc(C)c(C)cc21 ZINC000275344373 526554094 /nfs/dbraw/zinc/55/40/94/526554094.db2.gz PKADSBRVPMDLQI-OAHLLOKOSA-N 0 1 287.432 3.662 20 0 CHADMN Cc1n[nH]cc1CN[C@H](C)c1ccc(SC(F)F)cc1 ZINC000271424516 526556618 /nfs/dbraw/zinc/55/66/18/526556618.db2.gz BALCZTIHBHZXGH-SECBINFHSA-N 0 1 297.374 3.884 20 0 CHADMN c1csc([C@@H](Nc2nnc(C3CC3)o2)c2ccccc2)n1 ZINC000278520830 526586521 /nfs/dbraw/zinc/58/65/21/526586521.db2.gz YZMAYBUGZCRJOP-LBPRGKRZSA-N 0 1 298.371 3.605 20 0 CHADMN c1nc(CN[C@@H]2CCC[C@H]2c2ccccc2)oc1C1CC1 ZINC000275553779 526599494 /nfs/dbraw/zinc/59/94/94/526599494.db2.gz CQUVQMLRRYEYOO-JKSUJKDBSA-N 0 1 282.387 3.978 20 0 CHADMN c1oc(-c2ccccc2)nc1CN1CCCCCC1 ZINC000061803965 526627356 /nfs/dbraw/zinc/62/73/56/526627356.db2.gz QIGVXOCTVCIXOS-UHFFFAOYSA-N 0 1 256.349 3.718 20 0 CHADMN O=C(c1ccn[nH]1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000084839534 526650516 /nfs/dbraw/zinc/65/05/16/526650516.db2.gz WWFSUEZPLAPAEF-OFAQMXQXSA-N 0 1 295.386 3.508 20 0 CHADMN Cc1nocc1CN[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000293202752 526698151 /nfs/dbraw/zinc/69/81/51/526698151.db2.gz ISVDRUGETMMUBH-INIZCTEOSA-N 0 1 274.339 3.671 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N(CC1CC1)CC1CCC1 ZINC000280055926 526702380 /nfs/dbraw/zinc/70/23/80/526702380.db2.gz YKNSMGBUHVETEO-UHFFFAOYSA-N 0 1 293.794 3.698 20 0 CHADMN Cc1nc(C)c(CNCc2ccccc2Cl)s1 ZINC000076865008 526725562 /nfs/dbraw/zinc/72/55/62/526725562.db2.gz JPYKXQKHKWUVJY-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN O=C(c1ccc2cncn2c1)N1CCC2(CCCCC2)CC1 ZINC000339923227 526735295 /nfs/dbraw/zinc/73/52/95/526735295.db2.gz MOFLTEJVPXUVSL-UHFFFAOYSA-N 0 1 297.402 3.521 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N1CCC2(CCCCC2)CC1 ZINC000338687012 526780732 /nfs/dbraw/zinc/78/07/32/526780732.db2.gz BYXNDIOVINEXES-UHFFFAOYSA-N 0 1 297.402 3.749 20 0 CHADMN O=C(c1ccccc1)C1CCN(CCC(F)(F)F)CC1 ZINC000265851658 526789742 /nfs/dbraw/zinc/78/97/42/526789742.db2.gz PWEOFTJYLDOANB-UHFFFAOYSA-N 0 1 285.309 3.534 20 0 CHADMN Cc1nc(CCNCc2csc(C(C)(C)C)n2)cs1 ZINC000219425260 526826274 /nfs/dbraw/zinc/82/62/74/526826274.db2.gz WCHCNBVNDCUZPB-UHFFFAOYSA-N 0 1 295.477 3.538 20 0 CHADMN Cc1occc1CNCc1c(C)oc2ccccc21 ZINC000340084033 526826926 /nfs/dbraw/zinc/82/69/26/526826926.db2.gz UEFFBRUTSNKIKB-UHFFFAOYSA-N 0 1 255.317 3.932 20 0 CHADMN Cc1sccc1CNCc1ccc(OCC2CC2)nc1 ZINC000293513818 526916052 /nfs/dbraw/zinc/91/60/52/526916052.db2.gz IFDBOQADKWUONW-UHFFFAOYSA-N 0 1 288.416 3.530 20 0 CHADMN Clc1ccc2c(c1)CC[C@@H]2NCc1ccccn1 ZINC000062257487 526964815 /nfs/dbraw/zinc/96/48/15/526964815.db2.gz JLRDYMOEVQGCGM-HNNXBMFYSA-N 0 1 258.752 3.512 20 0 CHADMN Clc1ncccc1CNC[C@H]1CCC2(CCCCC2)O1 ZINC000276578423 527009856 /nfs/dbraw/zinc/00/98/56/527009856.db2.gz ARSGRGVIICFOGC-CQSZACIVSA-N 0 1 294.826 3.707 20 0 CHADMN Cc1nc([C@@H](C)NCCSc2ccccc2)cs1 ZINC000037904189 527030685 /nfs/dbraw/zinc/03/06/85/527030685.db2.gz YJMZJLNNYPSYHW-LLVKDONJSA-N 0 1 278.446 3.894 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@H](C)c1cccc(O)c1)CCC2 ZINC000363783077 527112932 /nfs/dbraw/zinc/11/29/32/527112932.db2.gz MKFUNKHWRMHHNJ-QMTHXVAHSA-N 0 1 288.416 3.885 20 0 CHADMN NC1(c2noc(-c3ccc(Cl)cc3)n2)CCCCC1 ZINC000041153524 527132145 /nfs/dbraw/zinc/13/21/45/527132145.db2.gz RPRZUFSPNQDFGR-UHFFFAOYSA-N 0 1 277.755 3.508 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2C[C@H](C)CCC[C@H]2C)[nH]1 ZINC000338575133 527152525 /nfs/dbraw/zinc/15/25/25/527152525.db2.gz WREBAKOXHHJXCJ-VXGBXAGGSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1ncc(CNCc2ccc(F)c(Cl)c2)s1 ZINC000053155522 527272645 /nfs/dbraw/zinc/27/26/45/527272645.db2.gz VXNBUXFYPAMHEK-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccccc2OC(C)C)c(C)n1 ZINC000128985870 527309619 /nfs/dbraw/zinc/30/96/19/527309619.db2.gz QOIUMVNGCXDZJW-ZDUSSCGKSA-N 0 1 299.418 3.731 20 0 CHADMN Cc1nccc(NCCCC(F)(F)F)c1Cl ZINC000309388107 527351440 /nfs/dbraw/zinc/35/14/40/527351440.db2.gz RTJKPTXWSWCRQR-UHFFFAOYSA-N 0 1 252.667 3.798 20 0 CHADMN Cn1ccnc1[C@H](NC[C@@H]1CC=CCC1)c1cccc(F)c1 ZINC000237908371 527464382 /nfs/dbraw/zinc/46/43/82/527464382.db2.gz XFDBIILXXMQCQJ-RHSMWYFYSA-N 0 1 299.393 3.595 20 0 CHADMN Cn1ccnc1[C@H](NCc1ccc(C2CCC2)cc1)C1CC1 ZINC000277262527 527465052 /nfs/dbraw/zinc/46/50/52/527465052.db2.gz QRRIXSJEVAVTCY-GOSISDBHSA-N 0 1 295.430 3.929 20 0 CHADMN Cn1ccnc1[C@H](N[C@H]1CCCc2sccc21)C1CC1 ZINC000129191706 527466654 /nfs/dbraw/zinc/46/66/54/527466654.db2.gz OMJFIALNRTYUER-DZGCQCFKSA-N 0 1 287.432 3.600 20 0 CHADMN Cc1ncsc1CN(C)C/C=C/c1ccccc1 ZINC000066666623 527498966 /nfs/dbraw/zinc/49/89/66/527498966.db2.gz JQOSXVGFTMWEDG-RMKNXTFCSA-N 0 1 258.390 3.597 20 0 CHADMN Cc1ncsc1CNCc1ccc(C(C)(F)F)cc1 ZINC000292841940 527510289 /nfs/dbraw/zinc/51/02/89/527510289.db2.gz BDOGNMMVYNFDJK-UHFFFAOYSA-N 0 1 282.359 3.853 20 0 CHADMN O=C([O-])CCCC[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000262285286 527581378 /nfs/dbraw/zinc/58/13/78/527581378.db2.gz WOLNQJOHIFORNY-UHFFFAOYSA-N 0 1 293.382 3.825 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000050924966 527599561 /nfs/dbraw/zinc/59/95/61/527599561.db2.gz UZMORWAUSMGDQH-CQSZACIVSA-N 0 1 281.783 3.559 20 0 CHADMN FC(F)(F)c1cnc(CNCCc2cccs2)s1 ZINC000278630495 527688871 /nfs/dbraw/zinc/68/88/71/527688871.db2.gz KOIGFPBXKMQKJA-UHFFFAOYSA-N 0 1 292.351 3.556 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)NCc1cc(C)cc(Cl)c1 ZINC000339237873 527696789 /nfs/dbraw/zinc/69/67/89/527696789.db2.gz IWEGTBMSKCWLFG-LLVKDONJSA-N 0 1 277.799 3.541 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NCc1ccc(C2CC2)cc1F ZINC000293279276 527699922 /nfs/dbraw/zinc/69/99/22/527699922.db2.gz CQTHDJPOFDXRRP-NSHDSACASA-N 0 1 287.382 3.596 20 0 CHADMN CCC1CCC(N(C)Cc2nnc(-c3ccco3)o2)CC1 ZINC000332006208 527842598 /nfs/dbraw/zinc/84/25/98/527842598.db2.gz YJYDVFAJYPISLS-UHFFFAOYSA-N 0 1 289.379 3.730 20 0 CHADMN CCC1CCN(Cc2nnc(-c3cc(C)oc3C)o2)CC1 ZINC000332090302 527869484 /nfs/dbraw/zinc/86/94/84/527869484.db2.gz UYTBLQZSTDELNF-UHFFFAOYSA-N 0 1 289.379 3.568 20 0 CHADMN CC(C)[C@H]1C[C@H](Nc2cc3c(cn2)CCC3)CS1 ZINC000354540816 527883838 /nfs/dbraw/zinc/88/38/38/527883838.db2.gz NRJVVJWPKWXMLF-UONOGXRCSA-N 0 1 262.422 3.512 20 0 CHADMN CC1(C2CC2)CCN(Cc2ncc(C3CC3)o2)CC1 ZINC000352200575 527905171 /nfs/dbraw/zinc/90/51/71/527905171.db2.gz MLRODGKWDVGHEB-UHFFFAOYSA-N 0 1 260.381 3.564 20 0 CHADMN CCN(CC(=O)Nc1ccccc1SC(C)C)C1CC1 ZINC000349401262 527929832 /nfs/dbraw/zinc/92/98/32/527929832.db2.gz OXKTURSARLMNOD-UHFFFAOYSA-N 0 1 292.448 3.610 20 0 CHADMN CCCN(Cc1cncc(F)c1)[C@H]1CCCc2cccnc21 ZINC000347259311 528150339 /nfs/dbraw/zinc/15/03/39/528150339.db2.gz YPFZDMSOISGABA-KRWDZBQOSA-N 0 1 299.393 3.905 20 0 CHADMN CC(C)COc1ccc(CN(C)Cc2ccoc2)cc1 ZINC000352655640 528153068 /nfs/dbraw/zinc/15/30/68/528153068.db2.gz UWUIOFSCXGIIPF-UHFFFAOYSA-N 0 1 273.376 3.946 20 0 CHADMN CC1CCC(CN2CCO[C@H](c3cccc(O)c3)C2)CC1 ZINC000353676207 528178185 /nfs/dbraw/zinc/17/81/85/528178185.db2.gz VYQXKKWJSZIXIC-JMLCCBQJSA-N 0 1 289.419 3.592 20 0 CHADMN CCCCCN(Cc1nnc(C2CC2)[nH]1)[C@@H](C)CCC ZINC000347390283 528182403 /nfs/dbraw/zinc/18/24/03/528182403.db2.gz HIXFBHDULKUHTK-ZDUSSCGKSA-N 0 1 278.444 3.863 20 0 CHADMN CC(C)c1ccoc1-c1nc(C2(N)CCCCC2)no1 ZINC000331633538 528208489 /nfs/dbraw/zinc/20/84/89/528208489.db2.gz WCNBQVUCDGKNSL-UHFFFAOYSA-N 0 1 275.352 3.571 20 0 CHADMN CC(C)n1cc(CN2CCC[C@@H](C(C)(C)C)CC2)nn1 ZINC000347858830 528562961 /nfs/dbraw/zinc/56/29/61/528562961.db2.gz HNEBPJYTIHWAIB-CQSZACIVSA-N 0 1 278.444 3.507 20 0 CHADMN CCOc1cccc(C(=O)Nc2nc3ccc(C)cc3[nH]2)c1 ZINC000344485714 528633115 /nfs/dbraw/zinc/63/31/15/528633115.db2.gz QEYNDBXMLADMAX-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN CC(C)Cc1ccc(CN(C)Cc2ccccn2)cc1 ZINC000350359458 528650153 /nfs/dbraw/zinc/65/01/53/528650153.db2.gz SCMHPTZHRPBQFL-UHFFFAOYSA-N 0 1 268.404 3.912 20 0 CHADMN CCCCSCCC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000352167861 528736228 /nfs/dbraw/zinc/73/62/28/528736228.db2.gz NPXBZZFDRACWIY-UHFFFAOYSA-N 0 1 291.420 3.733 20 0 CHADMN CCCc1nc(CN2CC[C@](C)(CC)C2)cs1 ZINC000344240433 528747744 /nfs/dbraw/zinc/74/77/44/528747744.db2.gz MXYQGUQXXUSRMF-AWEZNQCLSA-N 0 1 252.427 3.718 20 0 CHADMN CCN(Cc1cccc(Cl)c1)Cc1cccc(OC)n1 ZINC000353332564 528805393 /nfs/dbraw/zinc/80/53/93/528805393.db2.gz WCZNZMJEKARSNJ-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN CC[C@@H](NCc1ccc(Cl)cn1)c1cccc(OC)c1 ZINC000344328718 529183405 /nfs/dbraw/zinc/18/34/05/529183405.db2.gz MFGYSYFMXXROJO-MRXNPFEDSA-N 0 1 290.794 3.985 20 0 CHADMN CC[C@@H](NCc1cn2ccccc2n1)c1cccc(C)c1 ZINC000353451754 529188370 /nfs/dbraw/zinc/18/83/70/529188370.db2.gz XXPBMMNZSSJZQC-QGZVFWFLSA-N 0 1 279.387 3.884 20 0 CHADMN CC[C@@H](N[C@@H](c1nccn1C)C1CC1)c1ccccc1 ZINC000353872357 529202423 /nfs/dbraw/zinc/20/24/23/529202423.db2.gz UXZDNMBTVPPWIL-HZPDHXFCSA-N 0 1 269.392 3.612 20 0 CHADMN CC[C@@H](N[C@H](c1nccn1C)C1CC1)c1cccc(C)c1 ZINC000353861235 529206947 /nfs/dbraw/zinc/20/69/47/529206947.db2.gz AMUBEHJRWCFFNI-SJORKVTESA-N 0 1 283.419 3.921 20 0 CHADMN CC[C@H]1CCCN(Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000351965651 529217735 /nfs/dbraw/zinc/21/77/35/529217735.db2.gz UUGKKWUKUCVEHK-JSGCOSHPSA-N 0 1 280.437 3.617 20 0 CHADMN CC[C@H]1CCN(Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356107483 529238961 /nfs/dbraw/zinc/23/89/61/529238961.db2.gz DBADDGRZXLRUCW-JTQLQIEISA-N 0 1 273.298 3.643 20 0 CHADMN CCSc1ccc([C@H](C)NCc2c(C)cnn2C)cc1 ZINC000352828194 529247603 /nfs/dbraw/zinc/24/76/03/529247603.db2.gz UJLXCUZSDHYRDH-ZDUSSCGKSA-N 0 1 289.448 3.691 20 0 CHADMN CCSc1cccc(CNCc2ccoc2C)c1 ZINC000349572277 529252848 /nfs/dbraw/zinc/25/28/48/529252848.db2.gz YSWHLMDFIPPAIV-UHFFFAOYSA-N 0 1 261.390 3.990 20 0 CHADMN CO[C@H]1CCCN([C@@H](C)c2ccccc2Br)C1 ZINC000341864884 536711134 /nfs/dbraw/zinc/71/11/34/536711134.db2.gz WTHUGZCXJMAWQE-RYUDHWBXSA-N 0 1 298.224 3.621 20 0 CHADMN C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCCCC(=O)[O-] ZINC000181579453 597791034 /nfs/dbraw/zinc/79/10/34/597791034.db2.gz VBJFVEYGMNAPRR-NSHDSACASA-N 0 1 292.404 3.544 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000062015295 599847439 /nfs/dbraw/zinc/84/74/39/599847439.db2.gz VYNPCUKZLISLEB-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN O=C([O-])c1coc(C[N@@H+](Cc2ccco2)C2CCCC2)c1 ZINC000579364509 599847957 /nfs/dbraw/zinc/84/79/57/599847957.db2.gz KWMQZSPRNMEVBB-UHFFFAOYSA-N 0 1 289.331 3.516 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)C[C@H](C)c1ccccc1 ZINC000569700831 600143545 /nfs/dbraw/zinc/14/35/45/600143545.db2.gz IYPSFIWKIAHVBS-LBPRGKRZSA-N 0 1 287.359 3.522 20 0 CHADMN CCCC[C@@H](Nc1ccc([NH+]2CCCC2)cc1C)C(=O)[O-] ZINC000736982723 600155077 /nfs/dbraw/zinc/15/50/77/600155077.db2.gz SVNWLECAAGAPPE-MRXNPFEDSA-N 0 1 290.407 3.651 20 0 CHADMN Cc1cc(C[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2)c(C)s1 ZINC000738378515 600212974 /nfs/dbraw/zinc/21/29/74/600212974.db2.gz IBZVGALUEOBNBF-HNNXBMFYSA-N 0 1 289.400 3.623 20 0 CHADMN Cc1cc(C[N@H+](C)[C@H](C(=O)[O-])c2ccccc2)c(C)s1 ZINC000738378515 600212977 /nfs/dbraw/zinc/21/29/77/600212977.db2.gz IBZVGALUEOBNBF-HNNXBMFYSA-N 0 1 289.400 3.623 20 0 CHADMN C[C@@H](c1ccccc1Cl)[N@@H+](CCCC(=O)[O-])C1CC1 ZINC000116391422 600228221 /nfs/dbraw/zinc/22/82/21/600228221.db2.gz VMEXBBAAJBVEEY-NSHDSACASA-N 0 1 281.783 3.730 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCCC[C@@H]2c2ccco2)o1 ZINC000566359055 600262001 /nfs/dbraw/zinc/26/20/01/600262001.db2.gz DNWAHRSPLUQWSW-CYBMUJFWSA-N 0 1 289.331 3.688 20 0 CHADMN C[N@@H+](Cc1ccccc1)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737491716 600396333 /nfs/dbraw/zinc/39/63/33/600396333.db2.gz GYRNINVYSSKKBE-OAHLLOKOSA-N 0 1 289.762 3.598 20 0 CHADMN C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000736839501 600441283 /nfs/dbraw/zinc/44/12/83/600441283.db2.gz ALJIMRIDFWDCNF-LBPRGKRZSA-N 0 1 299.345 3.643 20 0 CHADMN CC(C)C[C@@H]1CCCCC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000584637781 600718459 /nfs/dbraw/zinc/71/84/59/600718459.db2.gz BWWBFFHUHXBNSN-AWEZNQCLSA-N 0 1 279.380 3.769 20 0 CHADMN O=C([O-])c1occc1C[N@H+]1CCCC2(C1)CCCCCC2 ZINC000652430422 600847955 /nfs/dbraw/zinc/84/79/55/600847955.db2.gz APDXLVQMNQQCLU-UHFFFAOYSA-N 0 1 291.391 3.914 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2occc2C(=O)[O-])[C@@H](c2ccco2)C1 ZINC000570689320 600861706 /nfs/dbraw/zinc/86/17/06/600861706.db2.gz LLEHAFLTVMIVMV-DGCLKSJQSA-N 0 1 289.331 3.544 20 0 CHADMN Cc1cccnc1[C@H]([NH2+][C@@H](C(=O)[O-])c1ccccc1)C(C)C ZINC000738321652 600956207 /nfs/dbraw/zinc/95/62/07/600956207.db2.gz IWSPCERXRCSESJ-NVXWUHKLSA-N 0 1 298.386 3.503 20 0 CHADMN C/C(=C\C[N@@H+](Cc1ccco1)Cc1cccc(C)c1)C(=O)[O-] ZINC000825730631 601158400 /nfs/dbraw/zinc/15/84/00/601158400.db2.gz ZPNOTFBAHJUVSD-OVCLIPMQSA-N 0 1 299.370 3.621 20 0 CHADMN C/C(=C\C[N@H+]1CCCCC[C@H]1c1ccc(C)o1)C(=O)[O-] ZINC000825741392 601170338 /nfs/dbraw/zinc/17/03/38/601170338.db2.gz MMWJBZNUONVUCW-TZIYXEQSSA-N 0 1 277.364 3.536 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000828424706 601179042 /nfs/dbraw/zinc/17/90/42/601179042.db2.gz RXVKHLBIWSCLQJ-XHBSWPGZSA-N 0 1 285.343 3.732 20 0 CHADMN CC[N@@H+](Cc1cccs1)Cc1cc(C(=O)[O-])sc1C ZINC000155965427 601614438 /nfs/dbraw/zinc/61/44/38/601614438.db2.gz DBECYXPREJNBAD-UHFFFAOYSA-N 0 1 295.429 3.838 20 0 CHADMN CC(C)[C@H](C)[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000826681205 601618772 /nfs/dbraw/zinc/61/87/72/601618772.db2.gz MYADZBIAXPTGDI-NSHDSACASA-N 0 1 279.355 3.533 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000097814198 601647497 /nfs/dbraw/zinc/64/74/97/601647497.db2.gz GSVSFPIEUONWCJ-AOOOYVTPSA-N 0 1 267.394 3.518 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000110956518 601808717 /nfs/dbraw/zinc/80/87/17/601808717.db2.gz KNIAEDRTCQUZIG-ZDUSSCGKSA-N 0 1 279.405 3.601 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccsc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000828463017 601836835 /nfs/dbraw/zinc/83/68/35/601836835.db2.gz OEJQSFIGKAJMQM-RISCZKNCSA-N 0 1 287.384 3.639 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccccc1 ZINC000109601479 601938036 /nfs/dbraw/zinc/93/80/36/601938036.db2.gz MLPWEKOHDFVQBK-UHFFFAOYSA-N 0 1 289.400 3.857 20 0 CHADMN Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C(=O)[O-])s2)cc1 ZINC000832922420 601942947 /nfs/dbraw/zinc/94/29/47/601942947.db2.gz XONOPVYCAVTTON-GFCCVEGCSA-N 0 1 289.400 3.948 20 0 CHADMN Cc1cc([C@H](C)[N@@H+](C)Cc2ccc(F)cc2)oc1C(=O)[O-] ZINC000652375180 604381730 /nfs/dbraw/zinc/38/17/30/604381730.db2.gz KMEFDRKWPHNSDV-NSHDSACASA-N 0 1 291.322 3.618 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCCCC[C@H]2c2ccccc2)c[nH]1 ZINC000833780348 604593382 /nfs/dbraw/zinc/59/33/82/604593382.db2.gz VRUJRMRTVLNBMD-KRWDZBQOSA-N 0 1 298.386 3.830 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000829346622 604677747 /nfs/dbraw/zinc/67/77/47/604677747.db2.gz BMHPEXCNPRLECH-CYBMUJFWSA-N 0 1 265.353 3.523 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000086784930 949064747 /nfs/dbraw/zinc/06/47/47/949064747.db2.gz JGJKGCXMTLIFIW-AEFFLSMTSA-N 0 1 287.403 3.641 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000167041864 949453981 /nfs/dbraw/zinc/45/39/81/949453981.db2.gz YJLQCGSSHBOTPP-HNNXBMFYSA-N 0 1 299.773 3.556 20 0 CHADMN O=C([O-])c1cccc(C[N@@H+](Cc2cccc(F)c2)C2CC2)c1 ZINC001595242106 949473536 /nfs/dbraw/zinc/47/35/36/949473536.db2.gz GUJOFRIGDJVFND-UHFFFAOYSA-N 0 1 299.345 3.689 20 0 CHADMN Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226455604 949586731 /nfs/dbraw/zinc/58/67/31/949586731.db2.gz UNVYUVQTGOHBQI-CABCVRRESA-N 0 1 275.392 3.633 20 0 CHADMN CC[N@@H+](CCC1(C(=O)[O-])CCC1)[C@@H]1CCCC[C@H]1C ZINC001589730697 950503349 /nfs/dbraw/zinc/50/33/49/950503349.db2.gz QFPJZSAKFULHJV-ZIAGYGMSSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@@H]1CCCN(Cc2csc(-c3ccccn3)n2)C1 ZINC000127111723 1125459394 /nfs/dbraw/zinc/45/93/94/1125459394.db2.gz GJIZVFIVSBSZOA-CYBMUJFWSA-N 0 1 287.432 3.827 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589279624 953482923 /nfs/dbraw/zinc/48/29/23/953482923.db2.gz PBUYPPGFHURAFV-VWYCJHECSA-N 0 1 299.773 3.583 20 0 CHADMN CC(C)c1ccc(CC[N@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000579567557 953709005 /nfs/dbraw/zinc/70/90/05/953709005.db2.gz JNZURAZJZQJHHN-INIZCTEOSA-N 0 1 289.419 3.539 20 0 CHADMN C[C@H](C1CC1)[N@@H+](Cc1ccoc1C(=O)[O-])Cc1ccccc1 ZINC000385197507 971986622 /nfs/dbraw/zinc/98/66/22/971986622.db2.gz PLDFLMBHSGCLGF-CYBMUJFWSA-N 0 1 299.370 3.779 20 0 CHADMN CC1(C)CCCC[C@H]1C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000662212502 954382872 /nfs/dbraw/zinc/38/28/72/954382872.db2.gz BMKIMWBLLDAHDA-KBPBESRZSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC001589444873 954747892 /nfs/dbraw/zinc/74/78/92/954747892.db2.gz HFDVFVXCUVLJAO-DOTOQJQBSA-N 0 1 289.419 3.538 20 0 CHADMN CCN(Cc1csc(-c2ccco2)n1)CC(C)C ZINC000046064935 1125464735 /nfs/dbraw/zinc/46/47/35/1125464735.db2.gz FTRFXRYCODNEGX-UHFFFAOYSA-N 0 1 264.394 3.881 20 0 CHADMN CCC[N@@H+](CC[C@@H](C)CCC=C(C)C)CC(=O)[O-] ZINC000859809350 955912366 /nfs/dbraw/zinc/91/23/66/955912366.db2.gz RLSKDRNFOONONV-AWEZNQCLSA-N 0 1 255.402 3.556 20 0 CHADMN Cc1ccc([C@H](C)C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000901552257 956337643 /nfs/dbraw/zinc/33/76/43/956337643.db2.gz MUFBVIJGJQULQK-CVEARBPZSA-N 0 1 289.419 3.675 20 0 CHADMN Cc1ncccc1CN1CCSC[C@@H]1c1ccccc1 ZINC000128392603 1125465931 /nfs/dbraw/zinc/46/59/31/1125465931.db2.gz YWSDUTUXNAJAEC-QGZVFWFLSA-N 0 1 284.428 3.680 20 0 CHADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903695780 956880678 /nfs/dbraw/zinc/88/06/78/956880678.db2.gz IUEQSZFWJKPNHE-KBPBESRZSA-N 0 1 267.413 3.532 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903695782 956880959 /nfs/dbraw/zinc/88/09/59/956880959.db2.gz IUEQSZFWJKPNHE-UONOGXRCSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)[C@H]1c1ccccc1 ZINC000903706851 956902019 /nfs/dbraw/zinc/90/20/19/956902019.db2.gz HAXAQWKKJYRKDN-GOEBONIOSA-N 0 1 287.403 3.715 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000923471275 957121323 /nfs/dbraw/zinc/12/13/23/957121323.db2.gz LFHGMTBVMYCUEX-QGZVFWFLSA-N 0 1 279.424 3.534 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000036827337 957238069 /nfs/dbraw/zinc/23/80/69/957238069.db2.gz FTMIYRSNYISNLJ-HOCLYGCPSA-N 0 1 273.376 3.539 20 0 CHADMN Cc1cc(C[N@@H+](C)[C@@H](C)c2ccccc2F)oc1C(=O)[O-] ZINC000062015351 957597533 /nfs/dbraw/zinc/59/75/33/957597533.db2.gz CZTWGWNWMATEQN-NSHDSACASA-N 0 1 291.322 3.618 20 0 CHADMN Cc1cc(C[N@H+](C)[C@@H](C)c2ccccc2F)oc1C(=O)[O-] ZINC000062015351 957597538 /nfs/dbraw/zinc/59/75/38/957597538.db2.gz CZTWGWNWMATEQN-NSHDSACASA-N 0 1 291.322 3.618 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2C2CCCC2)c(F)c1 ZINC000062754279 957608875 /nfs/dbraw/zinc/60/88/75/957608875.db2.gz YJVWHXDHGNHSRH-INIZCTEOSA-N 0 1 291.366 3.679 20 0 CHADMN C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC000062755140 957610382 /nfs/dbraw/zinc/61/03/82/957610382.db2.gz MXLHNKPMJRQFFV-XHDPSFHLSA-N 0 1 279.355 3.534 20 0 CHADMN CC(C)Cc1ccc(C[N@@H+](CCC(=O)[O-])C(C)C)cc1 ZINC000094904652 958319259 /nfs/dbraw/zinc/31/92/59/958319259.db2.gz JWTFQLZQBQOHAW-UHFFFAOYSA-N 0 1 277.408 3.570 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000111781342 958440308 /nfs/dbraw/zinc/44/03/08/958440308.db2.gz HBGOKISZOVOENT-ZBFHGGJFSA-N 0 1 275.392 3.785 20 0 CHADMN CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000111781349 958440391 /nfs/dbraw/zinc/44/03/91/958440391.db2.gz HBGOKISZOVOENT-GOEBONIOSA-N 0 1 275.392 3.785 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](CCCCc2ccccc2)C1 ZINC000122128315 958472861 /nfs/dbraw/zinc/47/28/61/958472861.db2.gz DDASSERSSZSGMJ-QGZVFWFLSA-N 0 1 289.419 3.586 20 0 CHADMN Cc1ccc([C@H](C)Nc2ccc(C(=O)[O-])c(C)[nH+]2)s1 ZINC000124213873 958523472 /nfs/dbraw/zinc/52/34/72/958523472.db2.gz YHDPUKQRGGOTOH-JTQLQIEISA-N 0 1 276.361 3.631 20 0 CHADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1CCC1CCCCC1 ZINC000127458504 958613776 /nfs/dbraw/zinc/61/37/76/958613776.db2.gz VRZBGYKAGCGCKY-QGZVFWFLSA-N 0 1 287.403 3.641 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001594382834 958647891 /nfs/dbraw/zinc/64/78/91/958647891.db2.gz JPUPTJLPGVTQFH-BBRMVZONSA-N 0 1 297.398 3.691 20 0 CHADMN CC(=O)Nc1cccc(CN(C)[C@H](C)c2cccc(O)c2)c1 ZINC000109781061 1125469189 /nfs/dbraw/zinc/46/91/89/1125469189.db2.gz XYFLNTLBGBATAG-CYBMUJFWSA-N 0 1 298.386 3.544 20 0 CHADMN C[N@@H+](Cc1c2ccccc2sc1C(=O)[O-])C1CCC1 ZINC000143870661 958983743 /nfs/dbraw/zinc/98/37/43/958983743.db2.gz KKDPMXNHEPRVMQ-UHFFFAOYSA-N 0 1 275.373 3.584 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000160583213 959150580 /nfs/dbraw/zinc/15/05/80/959150580.db2.gz GQEVIFKZZSLGST-GFCCVEGCSA-N 0 1 281.421 3.623 20 0 CHADMN CC(C)[C@H](c1ccccc1)[N@@H+](C)CCCCC(=O)[O-] ZINC000181562497 959440783 /nfs/dbraw/zinc/44/07/83/959440783.db2.gz ZBBFSBIXXADTMZ-MRXNPFEDSA-N 0 1 263.381 3.570 20 0 CHADMN CC(C)CC[C@@H]1CCCC[N@H+]1CCCCC(=O)[O-] ZINC000181576356 959441179 /nfs/dbraw/zinc/44/11/79/959441179.db2.gz MHQHXDLYWIRRQA-AWEZNQCLSA-N 0 1 255.402 3.532 20 0 CHADMN Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C(=O)[O-])o2)c(C)o1 ZINC000235509817 960445756 /nfs/dbraw/zinc/44/57/56/960445756.db2.gz COASHDALMSCAOR-UWVGGRQHSA-N 0 1 277.320 3.599 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@@H]2c2ccccc2)o1 ZINC001140942244 960505310 /nfs/dbraw/zinc/50/53/10/960505310.db2.gz ROTCEAWHXQPWQT-OAHLLOKOSA-N 0 1 285.343 3.705 20 0 CHADMN C[N@@H+](CC(=O)[O-])[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001604112481 972514663 /nfs/dbraw/zinc/51/46/63/972514663.db2.gz WNSOSRAMAPLIIM-HNNXBMFYSA-N 0 1 281.783 3.588 20 0 CHADMN C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC001603286908 972527790 /nfs/dbraw/zinc/52/77/90/972527790.db2.gz NSBSDWUYJORVNO-LBPRGKRZSA-N 0 1 287.334 3.717 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc3occc3c2)C1 ZINC001573823053 960982275 /nfs/dbraw/zinc/98/22/75/960982275.db2.gz XMZBNUULUIVZHB-KRWDZBQOSA-N 0 1 287.359 3.510 20 0 CHADMN CCC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001329694789 961301244 /nfs/dbraw/zinc/30/12/44/961301244.db2.gz GWNMTCUMIXRSEH-DOMZBBRYSA-N 0 1 295.810 3.978 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC001588797446 961406389 /nfs/dbraw/zinc/40/63/89/961406389.db2.gz NWIGEEHWPBGPMM-HOCLYGCPSA-N 0 1 267.413 3.698 20 0 CHADMN CCOCCCN(C)Cc1cccc(Cl)c1Cl ZINC000607725331 1117851391 /nfs/dbraw/zinc/85/13/91/1117851391.db2.gz YTMOMURZCBIRRN-UHFFFAOYSA-N 0 1 276.207 3.852 20 0 CHADMN CC(C)C1CCC(C[N@@H+](C)C(C)(C)CC(=O)[O-])CC1 ZINC001333137998 961656135 /nfs/dbraw/zinc/65/61/35/961656135.db2.gz ZDLSLKOSNKOPNR-UHFFFAOYSA-N 0 1 269.429 3.634 20 0 CHADMN Cc1ccncc1CNCc1csc(C(F)(F)F)c1 ZINC000623540153 1117869691 /nfs/dbraw/zinc/86/96/91/1117869691.db2.gz NDPQHGJVZMUFBB-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CC(C)[C@@H]1[N@@H+](Cc2ccc(C(=O)[O-])s2)CC12CC=CC2 ZINC001588842584 961823157 /nfs/dbraw/zinc/82/31/57/961823157.db2.gz IIGHRYHLBFKLJV-AWEZNQCLSA-N 0 1 291.416 3.623 20 0 CHADMN Clc1ccc(CNCc2cnn(CC3CCC3)c2)s1 ZINC000921500651 1117900791 /nfs/dbraw/zinc/90/07/91/1117900791.db2.gz GESWNMDHXOUCIR-UHFFFAOYSA-N 0 1 295.839 3.688 20 0 CHADMN Cc1ccc(OC2CCN(Cc3ccncc3)CC2)cc1C ZINC000130292767 1125481225 /nfs/dbraw/zinc/48/12/25/1125481225.db2.gz XVMIPMITDAXDHW-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN C/C(=C/C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC001349581717 962472323 /nfs/dbraw/zinc/47/23/23/962472323.db2.gz QVAZZDJMGBBLLA-SMJHDNPOSA-N 0 1 279.767 3.508 20 0 CHADMN C[C@H]1CO[C@@H](c2ccccc2)CN1Cc1cccs1 ZINC000130630498 1125483464 /nfs/dbraw/zinc/48/34/64/1125483464.db2.gz HGOPTLSVJMFIPC-XJKSGUPXSA-N 0 1 273.401 3.710 20 0 CHADMN Cc1oc(C[N@H+](C)C[C@@H]2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC001353899422 962669741 /nfs/dbraw/zinc/66/97/41/962669741.db2.gz MROWHVUTDDZYRR-WCQYABFASA-N 0 1 279.380 3.544 20 0 CHADMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C(C)(C)CC(=O)[O-] ZINC001353914864 962677116 /nfs/dbraw/zinc/67/71/16/962677116.db2.gz DNQAKDRUZREXJG-UHFFFAOYSA-N 0 1 290.190 3.679 20 0 CHADMN Clc1c2ccccc2sc1CN1CCCOCC1 ZINC000510537658 1117992561 /nfs/dbraw/zinc/99/25/61/1117992561.db2.gz IZYVWNPZRRUGAY-UHFFFAOYSA-N 0 1 281.808 3.777 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1csc(N(C)C2CC2)n1 ZINC000130709594 1125484585 /nfs/dbraw/zinc/48/45/85/1125484585.db2.gz IEOGUGIUBYLFTD-RYUDHWBXSA-N 0 1 279.453 3.505 20 0 CHADMN CC[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C(=O)[O-])sc2C)C1 ZINC000302609836 963097605 /nfs/dbraw/zinc/09/76/05/963097605.db2.gz XVTVBFXJORHYJW-CMPLNLGQSA-N 0 1 281.421 3.765 20 0 CHADMN CC(C)(C)CCC[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000305926382 963162974 /nfs/dbraw/zinc/16/29/74/963162974.db2.gz NOERMZXDENTGLY-UHFFFAOYSA-N 0 1 261.365 3.527 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccccc1C1CC1 ZINC000316688912 964042510 /nfs/dbraw/zinc/04/25/10/964042510.db2.gz GGBXDUSJGUVXBR-WBAXXEDZSA-N 0 1 299.414 3.782 20 0 CHADMN CC(C)c1cn(CN2CCC[C@H]2C2CC2)c(=S)n1C ZINC000083110155 1118027046 /nfs/dbraw/zinc/02/70/46/1118027046.db2.gz DVWZLTNAJLIYEB-ZDUSSCGKSA-N 0 1 279.453 3.511 20 0 CHADMN COC(=O)CCN(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000045915506 1118040147 /nfs/dbraw/zinc/04/01/47/1118040147.db2.gz CBJHUDUUXLGMDB-VIFPVBQESA-N 0 1 290.190 3.549 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)CC[C@H]1O ZINC001203389205 1118083793 /nfs/dbraw/zinc/08/37/93/1118083793.db2.gz YKQLWBFYTIJMQI-QMTHXVAHSA-N 0 1 288.218 3.586 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2coc3ccccc23)C1 ZINC000161123644 967655641 /nfs/dbraw/zinc/65/56/41/967655641.db2.gz BIGRLLWNVXNMSD-KRWDZBQOSA-N 0 1 287.359 3.510 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000251278619 967794250 /nfs/dbraw/zinc/79/42/50/967794250.db2.gz PYWSRRLOSGQGRZ-BZNIZROVSA-N 0 1 297.345 3.603 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@@H+](CC(=O)[O-])C1CCC1 ZINC000902045062 969511056 /nfs/dbraw/zinc/51/10/56/969511056.db2.gz QHHAARVQABWIPM-AWEZNQCLSA-N 0 1 267.413 3.698 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@@H+](CC(=O)[O-])C1CCC1 ZINC000902045063 969511439 /nfs/dbraw/zinc/51/14/39/969511439.db2.gz QHHAARVQABWIPM-CQSZACIVSA-N 0 1 267.413 3.698 20 0 CHADMN Cc1oc2ccccc2c1C[NH2+][C@@H](C(=O)[O-])c1ccccc1 ZINC000317464312 970361136 /nfs/dbraw/zinc/36/11/36/970361136.db2.gz YKSKAJDIAROQOK-QGZVFWFLSA-N 0 1 295.338 3.657 20 0 CHADMN Cc1oc2ccccc2c1C[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000317464310 970361648 /nfs/dbraw/zinc/36/16/48/970361648.db2.gz YKSKAJDIAROQOK-KRWDZBQOSA-N 0 1 295.338 3.657 20 0 CHADMN O=C([O-])C[C@H]1CCCC[N@H+]1CCC1CCCCCC1 ZINC000394539421 972719911 /nfs/dbraw/zinc/71/99/11/972719911.db2.gz RVCAMTVVXZGGNR-OAHLLOKOSA-N 0 1 267.413 3.676 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CCC[C@H]1CC(C)C ZINC000396948510 972953854 /nfs/dbraw/zinc/95/38/54/972953854.db2.gz MGQRMOADZPMNMX-ZDUSSCGKSA-N 0 1 281.421 3.765 20 0 CHADMN CC(C)Oc1cccc(CN[C@@H](C)c2cncs2)c1 ZINC000765093792 1118133866 /nfs/dbraw/zinc/13/38/66/1118133866.db2.gz CGZJGXCXBUCSCX-LBPRGKRZSA-N 0 1 276.405 3.781 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](CC1CCC(C)(C)CC1)C1CCC1 ZINC000514797507 974292688 /nfs/dbraw/zinc/29/26/88/974292688.db2.gz BEYMTJYMWZGOAQ-LBPRGKRZSA-N 0 1 267.413 3.530 20 0 CHADMN CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccoc1C(=O)[O-] ZINC000515855633 974302979 /nfs/dbraw/zinc/30/29/79/974302979.db2.gz HNZWNTDDAIOEMU-LBPRGKRZSA-N 0 1 291.372 3.549 20 0 CHADMN C[C@H](C[N@H+](Cc1ccccc1)CC1CC(C)(C)C1)C(=O)[O-] ZINC000530164122 974359152 /nfs/dbraw/zinc/35/91/52/974359152.db2.gz TZXYDOQZAYGCPJ-CQSZACIVSA-N 0 1 289.419 3.646 20 0 CHADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000565102016 974569391 /nfs/dbraw/zinc/56/93/91/974569391.db2.gz CETULJJYYIHJOI-WBVHZDCISA-N 0 1 289.419 3.879 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000565104119 974570664 /nfs/dbraw/zinc/57/06/64/974570664.db2.gz JEWKPJONDNAXBM-WCQYABFASA-N 0 1 281.421 3.847 20 0 CHADMN Cc1oc(C[N@H+](C)Cc2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000566360807 974608288 /nfs/dbraw/zinc/60/82/88/974608288.db2.gz AXBFVZOSVYFESZ-UHFFFAOYSA-N 0 1 287.359 3.535 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000566362051 974609572 /nfs/dbraw/zinc/60/95/72/974609572.db2.gz PERQVXGSNVCOQA-DOMZBBRYSA-N 0 1 295.810 3.978 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2CCCCC2)o1 ZINC000567509333 974635644 /nfs/dbraw/zinc/63/56/44/974635644.db2.gz AAHDEUADTPKVHM-CQSZACIVSA-N 0 1 277.364 3.523 20 0 CHADMN CCC(CC)C[N@@H+](CC)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000568060573 974656028 /nfs/dbraw/zinc/65/60/28/974656028.db2.gz HANKDDVDIGZGAW-HNNXBMFYSA-N 0 1 281.371 3.710 20 0 CHADMN Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000568063683 974658395 /nfs/dbraw/zinc/65/83/95/974658395.db2.gz QZJXMOSPOKGQDX-OAHLLOKOSA-N 0 1 283.371 3.587 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000568478755 974671064 /nfs/dbraw/zinc/67/10/64/974671064.db2.gz JGPKDPFWCDKJFB-COXVUDFISA-N 0 1 287.403 3.785 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000569981686 974702964 /nfs/dbraw/zinc/70/29/64/974702964.db2.gz NQMCHCQRSIPZJJ-HUUCEWRRSA-N 0 1 281.440 3.922 20 0 CHADMN CC(C)C[C@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000571649633 974733278 /nfs/dbraw/zinc/73/32/78/974733278.db2.gz SHPWEAQVAGWYPM-MRXNPFEDSA-N 0 1 290.407 3.571 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H]2c2cccc(C)c2)oc1C(=O)[O-] ZINC000572296139 974745511 /nfs/dbraw/zinc/74/55/11/974745511.db2.gz PBDFVXFXKSRUMO-INIZCTEOSA-N 0 1 299.370 3.932 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CCC[C@H]1CCC(C)C ZINC000572728976 974752494 /nfs/dbraw/zinc/75/24/94/974752494.db2.gz JFPOLPBTYGQYHM-AWEZNQCLSA-N 0 1 279.380 3.687 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)CCc1cccc2ccccc21 ZINC000572967515 974756568 /nfs/dbraw/zinc/75/65/68/974756568.db2.gz IVYYMTVDQJLCAJ-SFHVURJKSA-N 0 1 299.414 3.958 20 0 CHADMN O=C([O-])C1(C[N@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000573571875 974768026 /nfs/dbraw/zinc/76/80/26/974768026.db2.gz HYNZOIXOAMMYFN-QXPKXGMISA-N 0 1 299.414 3.809 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000580084821 974888952 /nfs/dbraw/zinc/88/89/52/974888952.db2.gz ARVVXQALBZEGBP-KBPBESRZSA-N 0 1 269.429 3.634 20 0 CHADMN CS[C@@H]1CCCC[N@H+]([C@@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000593744301 974986606 /nfs/dbraw/zinc/98/66/06/974986606.db2.gz PDJFYPNSQPQZIE-NWDGAFQWSA-N 0 1 297.420 3.565 20 0 CHADMN CCC[C@H](C)CCC[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000629360401 975082492 /nfs/dbraw/zinc/08/24/92/975082492.db2.gz QDOJKWNJPKYSNH-YOEHRIQHSA-N 0 1 289.419 3.887 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccsc2C(=O)[O-])C1 ZINC000629375916 975089937 /nfs/dbraw/zinc/08/99/37/975089937.db2.gz PHASPQIIMZYBQP-QAVQXKDTSA-N 0 1 279.405 3.625 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1F)C(C)(C)C ZINC000634697202 975274704 /nfs/dbraw/zinc/27/47/04/975274704.db2.gz CIDCMYKEEHFEEE-SMDDNHRTSA-N 0 1 281.371 3.565 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H]2c2ccccc2)oc1C(=O)[O-] ZINC000652383578 975515801 /nfs/dbraw/zinc/51/58/01/975515801.db2.gz AAMYUVVOJYAEGR-HNNXBMFYSA-N 0 1 285.343 3.623 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccc(-c2cccs2)cc1)C(=O)[O-] ZINC000652358862 975516431 /nfs/dbraw/zinc/51/64/31/975516431.db2.gz VGVUPEFJGUFZIK-LBPRGKRZSA-N 0 1 289.400 3.568 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H]2c2ccsc2)oc1C(=O)[O-] ZINC000652390038 975519043 /nfs/dbraw/zinc/51/90/43/975519043.db2.gz YMFUSUIYHRNQJH-CYBMUJFWSA-N 0 1 291.372 3.685 20 0 CHADMN CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1(C(=O)[O-])CC1 ZINC000652403738 975521973 /nfs/dbraw/zinc/52/19/73/975521973.db2.gz HHKLZGVBKZBZND-HZPDHXFCSA-N 0 1 287.403 3.509 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCCC(CC)(CC)CC1 ZINC000652445244 975536719 /nfs/dbraw/zinc/53/67/19/975536719.db2.gz NWKPVMRXPKUKMF-AWEZNQCLSA-N 0 1 269.429 3.922 20 0 CHADMN CCC(C)(C)CC[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000652482205 975550334 /nfs/dbraw/zinc/55/03/34/975550334.db2.gz SECBFZKEJWLSQH-UHFFFAOYSA-N 0 1 255.402 3.532 20 0 CHADMN Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000652496212 975559141 /nfs/dbraw/zinc/55/91/41/975559141.db2.gz OFQPKGRKMTVYBF-ZDUSSCGKSA-N 0 1 295.810 3.725 20 0 CHADMN CC[C@H](C)[N@@H+](CC)Cc1cc(C(=O)[O-])ccc1Cl ZINC000656757912 975683999 /nfs/dbraw/zinc/68/39/99/975683999.db2.gz WUDXBLTYRWLMBQ-JTQLQIEISA-N 0 1 269.772 3.659 20 0 CHADMN CC[C@@H](C)[N@@H+](CC)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000656757604 975684186 /nfs/dbraw/zinc/68/41/86/975684186.db2.gz VXKOHKVAPYYFRK-LLVKDONJSA-N 0 1 299.798 3.537 20 0 CHADMN Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000656758428 975685729 /nfs/dbraw/zinc/68/57/29/975685729.db2.gz YGGYIMNMVOARLW-HNNXBMFYSA-N 0 1 287.403 3.695 20 0 CHADMN CC1(C)CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2)CC(C)(C)C1 ZINC000656764174 975695268 /nfs/dbraw/zinc/69/52/68/975695268.db2.gz VAMIZBLNSXGOKN-OAHLLOKOSA-N 0 1 289.419 3.961 20 0 CHADMN CC(C)C[C@H](C)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000656765394 975697405 /nfs/dbraw/zinc/69/74/05/975697405.db2.gz KROTZMVIOQPOLM-YHUYYLMFSA-N 0 1 281.440 3.634 20 0 CHADMN C[C@H]1CCC[C@H](CC[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000659790679 975877206 /nfs/dbraw/zinc/87/72/06/975877206.db2.gz KFMKQGPZOJUGQT-UONOGXRCSA-N 0 1 287.403 3.917 20 0 CHADMN CC(C)C[C@H](C)C[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000659790596 975878048 /nfs/dbraw/zinc/87/80/48/975878048.db2.gz UYPXOBNULNFMFP-HNNXBMFYSA-N 0 1 277.408 3.646 20 0 CHADMN CC[C@@H](CC(F)F)C[N@@H+](CC1CC1)[C@@](C)(CC)C(=O)[O-] ZINC000659792584 975879586 /nfs/dbraw/zinc/87/95/86/975879586.db2.gz PREGQBOSOAZQSY-NHYWBVRUSA-N 0 1 291.382 3.633 20 0 CHADMN CC(C)=CCC[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000659794019 975883274 /nfs/dbraw/zinc/88/32/74/975883274.db2.gz HSWZHXBDWDBZAS-HOTGVXAUSA-N 0 1 273.376 3.633 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](CCC1CCCCCC1)C1CCC1 ZINC000659795234 975884705 /nfs/dbraw/zinc/88/47/05/975884705.db2.gz VKRUZSBFKXUQQC-ZDUSSCGKSA-N 0 1 267.413 3.675 20 0 CHADMN CCCCC[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000659803414 975893397 /nfs/dbraw/zinc/89/33/97/975893397.db2.gz HEWGJNOWSBAWFE-CQSZACIVSA-N 0 1 279.380 3.913 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000659804001 975895332 /nfs/dbraw/zinc/89/53/32/975895332.db2.gz RRSCJIYLPDZYAH-HNNXBMFYSA-N 0 1 291.391 3.831 20 0 CHADMN Cc1ccc2cc[nH+]c(N3CCC(CCC(=O)[O-])CC3)c2c1 ZINC000662884226 975911079 /nfs/dbraw/zinc/91/10/79/975911079.db2.gz UGRJDXVNKOFUQG-UHFFFAOYSA-N 0 1 298.386 3.624 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000663314894 975942433 /nfs/dbraw/zinc/94/24/33/975942433.db2.gz CAEWZEXQOFLISQ-JSGCOSHPSA-N 0 1 291.391 3.695 20 0 CHADMN CC(C)c1ccc([C@H]2CCC[N@H+]2CC2(C(=O)[O-])CC2)cc1 ZINC001591949096 976506068 /nfs/dbraw/zinc/50/60/68/976506068.db2.gz RDVJOFPCSLOECQ-MRXNPFEDSA-N 0 1 287.403 3.812 20 0 CHADMN C/C(=C/C[N@H+](C)C1CC(C)(C)CC(C)(C)C1)C(=O)[O-] ZINC000693043215 976578420 /nfs/dbraw/zinc/57/84/20/976578420.db2.gz JFUDNJFYPIQQEQ-GHXNOFRVSA-N 0 1 267.413 3.554 20 0 CHADMN Cc1ccc(C[N@H+](C)C[C@H](C)C(C)(C)C)cc1C(=O)[O-] ZINC000701837780 977049020 /nfs/dbraw/zinc/04/90/20/977049020.db2.gz FGMHVOAQVUVXRO-ZDUSSCGKSA-N 0 1 277.408 3.807 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])o1)C1CCCCCCC1 ZINC000724851560 978246074 /nfs/dbraw/zinc/24/60/74/978246074.db2.gz BGYPIVWPAXZUTQ-UHFFFAOYSA-N 0 1 265.353 3.523 20 0 CHADMN C[C@H](C[N@@H+](C)[C@@H](C)c1nc(C(=O)[O-])co1)C1CCCCC1 ZINC001592578835 978486315 /nfs/dbraw/zinc/48/63/15/978486315.db2.gz HUULCRRNNCSHCD-NEPJUHHUSA-N 0 1 294.395 3.582 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccc2oc3ccccc3c2c1)C(=O)[O-] ZINC001592584949 978504363 /nfs/dbraw/zinc/50/43/63/978504363.db2.gz RDRWWLYGJFBHMQ-LBPRGKRZSA-N 0 1 297.354 3.739 20 0 CHADMN C/C(=C\C[N@H+]1CCCCC[C@H]1c1cccc(C)c1)C(=O)[O-] ZINC000846249438 979424874 /nfs/dbraw/zinc/42/48/74/979424874.db2.gz OVRSKWODCPHLCR-OBHPCNEJSA-N 0 1 287.403 3.943 20 0 CHADMN CC(C)CC[C@@H]1CCC[N@H+]1Cc1ccccc1CC(=O)[O-] ZINC000846255147 979427070 /nfs/dbraw/zinc/42/70/70/979427070.db2.gz NPXBIAIANKCFEJ-KRWDZBQOSA-N 0 1 289.419 3.714 20 0 CHADMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1ccccc1CC(=O)[O-] ZINC000846255989 979428290 /nfs/dbraw/zinc/42/82/90/979428290.db2.gz WXNAPOJJVITZDJ-PBHICJAKSA-N 0 1 289.419 3.714 20 0 CHADMN Cc1cc(Cl)ccc1C[N@H+](CCC(=O)[O-])CC(C)C ZINC000846264128 979432565 /nfs/dbraw/zinc/43/25/65/979432565.db2.gz QBTVHKGMKCMOHM-UHFFFAOYSA-N 0 1 283.799 3.581 20 0 CHADMN C[C@H](N[C@@H]1CCS[C@H]1C)c1nc(C(F)(F)F)cs1 ZINC000683849055 1118410487 /nfs/dbraw/zinc/41/04/87/1118410487.db2.gz YWJRNXJVPPNSKL-BIIVOSGPSA-N 0 1 296.383 3.707 20 0 CHADMN Cc1ccc(C[N@@H+]2CC[C@H](C)C(C)(C)C2)cc1C(=O)[O-] ZINC000872159075 980041501 /nfs/dbraw/zinc/04/15/01/980041501.db2.gz LWQNPTIWFGNHCU-ZDUSSCGKSA-N 0 1 275.392 3.561 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000887470515 980222758 /nfs/dbraw/zinc/22/27/58/980222758.db2.gz QXXLHEQWTRZZES-RYRKJORJSA-N 0 1 293.451 3.946 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])c(CC)o2)C1 ZINC000901542293 980370823 /nfs/dbraw/zinc/37/08/23/980370823.db2.gz COIIHFAANFQUHJ-HSBHDXMMSA-N 0 1 291.391 3.718 20 0 CHADMN CCCCC[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C(=O)[O-] ZINC000901724761 980466013 /nfs/dbraw/zinc/46/60/13/980466013.db2.gz RIPKVTQXVNJYDJ-NSHDSACASA-N 0 1 298.452 3.564 20 0 CHADMN CC[C@H](C)[N@@H+](CC[C@@H](C)CCC=C(C)C)CC(=O)[O-] ZINC000901986660 980667882 /nfs/dbraw/zinc/66/78/82/980667882.db2.gz AUMIDJZSAYOPBW-GJZGRUSLSA-N 0 1 269.429 3.944 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000901992946 980672149 /nfs/dbraw/zinc/67/21/49/980672149.db2.gz GVNXBGVKOMDVJA-CABCVRRESA-N 0 1 281.440 3.944 20 0 CHADMN CCCC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000902050387 980714011 /nfs/dbraw/zinc/71/40/11/980714011.db2.gz NTYZKGPACNPTLC-UHFFFAOYSA-N 0 1 289.297 3.636 20 0 CHADMN CC1=CC[N@@H+](Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC1 ZINC000902281810 980815592 /nfs/dbraw/zinc/81/55/92/980815592.db2.gz MHUSAVYREHHTAO-UHFFFAOYSA-N 0 1 297.354 3.797 20 0 CHADMN CC[C@]1(C)CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001595369347 980838033 /nfs/dbraw/zinc/83/80/33/980838033.db2.gz XOPCSRFRMJLOKU-MRXNPFEDSA-N 0 1 279.355 3.536 20 0 CHADMN CC(C)C[N@@H+](Cc1ccnc2c(C(=O)[O-])cccc12)C1CC1 ZINC000902511216 980914681 /nfs/dbraw/zinc/91/46/81/980914681.db2.gz GMZJWCURQZVPII-UHFFFAOYSA-N 0 1 298.386 3.553 20 0 CHADMN C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000902529599 980922953 /nfs/dbraw/zinc/92/29/53/980922953.db2.gz KMLGIOHTJZILCW-WFASDCNBSA-N 0 1 293.382 3.710 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902531527 980923748 /nfs/dbraw/zinc/92/37/48/980923748.db2.gz VGSAHPBGQBCTHB-SSBZQZJYSA-N 0 1 291.391 3.778 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000902531496 980923947 /nfs/dbraw/zinc/92/39/47/980923947.db2.gz UITDWCLFMFAZJA-SWLSCSKDSA-N 0 1 293.382 3.710 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3ccc(C(=O)[O-])o3)C2)cc1 ZINC000902546157 980928338 /nfs/dbraw/zinc/92/83/38/980928338.db2.gz SGUFYFWZFOOUIV-UKRRQHHQSA-N 0 1 299.370 3.664 20 0 CHADMN CCC(CC)CCC[N@H+](C)[C@@H](C(=O)[O-])[C@H](C)CC ZINC000903605644 980986957 /nfs/dbraw/zinc/98/69/57/980986957.db2.gz CAZGZTMRFYCOEI-TZMCWYRMSA-N 0 1 257.418 3.634 20 0 CHADMN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000903609318 980990502 /nfs/dbraw/zinc/99/05/02/980990502.db2.gz YZACPHKHEOXUOI-OWSLCNJRSA-N 0 1 299.414 3.713 20 0 CHADMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903895711 981026300 /nfs/dbraw/zinc/02/63/00/981026300.db2.gz JVNZWCONJLKMPW-OCCSQVGLSA-N 0 1 298.386 3.696 20 0 CHADMN CC[C@H](C)[N@@H+](CC)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903904857 981029920 /nfs/dbraw/zinc/02/99/20/981029920.db2.gz OKXSGIBGPJWACA-LBPRGKRZSA-N 0 1 286.375 3.553 20 0 CHADMN C[C@@]1(O)CCCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC001204562441 1118614046 /nfs/dbraw/zinc/61/40/46/1118614046.db2.gz IRYUXHJVMRXYAC-CQSZACIVSA-N 0 1 288.218 3.730 20 0 CHADMN CN(Cc1ccc(Cl)s1)C[C@H](O)c1ccccc1F ZINC000075608653 1118637706 /nfs/dbraw/zinc/63/77/06/1118637706.db2.gz YPDJXWBHQLQSCG-ZDUSSCGKSA-N 0 1 299.798 3.706 20 0 CHADMN C[N@H+](Cc1ccc(Cl)s1)C[C@H](O)c1ccccc1F ZINC000075608653 1118637704 /nfs/dbraw/zinc/63/77/04/1118637704.db2.gz YPDJXWBHQLQSCG-ZDUSSCGKSA-N 0 1 299.798 3.706 20 0 CHADMN Cc1ccccc1-c1cnc(CN(C)CC(C)C)o1 ZINC000075674093 1118638579 /nfs/dbraw/zinc/63/85/79/1118638579.db2.gz NRWJHHXDFYUBMM-UHFFFAOYSA-N 0 1 258.365 3.738 20 0 CHADMN CCCC1(CCC)CCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC001595617671 981656190 /nfs/dbraw/zinc/65/61/90/981656190.db2.gz VLTAAEODKDHLHH-UHFFFAOYSA-N 0 1 267.413 3.676 20 0 CHADMN CCCC[C@@H](C)[N@@H+](CCCC)Cc1cc(C(=O)[O-])n(C)c1 ZINC001595632095 981849184 /nfs/dbraw/zinc/84/91/84/981849184.db2.gz RNHDVLINHWKZAW-CQSZACIVSA-N 0 1 294.439 3.904 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC001595690103 982191828 /nfs/dbraw/zinc/19/18/28/982191828.db2.gz IXBZIPNFGKQORN-GFCCVEGCSA-N 0 1 281.421 3.991 20 0 CHADMN CCCOc1ccc([C@H](C)NCc2cncs2)cc1 ZINC000133081694 1118859719 /nfs/dbraw/zinc/85/97/19/1118859719.db2.gz GOFUWKVEXNRSLG-LBPRGKRZSA-N 0 1 276.405 3.783 20 0 CHADMN CCC[N@@H+](CC)[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001595864774 982816610 /nfs/dbraw/zinc/81/66/10/982816610.db2.gz GUOHHLRARBXMJX-GFCCVEGCSA-N 0 1 289.297 3.563 20 0 CHADMN CCC[N@@H+](CC1(C(=O)[O-])CC1)[C@@H](CC)c1ccccc1 ZINC001595870388 982851790 /nfs/dbraw/zinc/85/17/90/982851790.db2.gz JWCOQUBIMHZEPT-HNNXBMFYSA-N 0 1 275.392 3.715 20 0 CHADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC000923262895 982853889 /nfs/dbraw/zinc/85/38/89/982853889.db2.gz CNVVZMJLUQQIIW-KRWDZBQOSA-N 0 1 299.414 3.641 20 0 CHADMN CCC[N@@H+](Cc1ccc(F)cc1)[C@@H](C(=O)[O-])[C@H](C)CC ZINC001595887715 982914937 /nfs/dbraw/zinc/91/49/37/982914937.db2.gz CEMGWXJLCFTZDA-IUODEOHRSA-N 0 1 281.371 3.537 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@@H+]([C@@H]1CCc3c1cccc3F)C2 ZINC001118493328 982957324 /nfs/dbraw/zinc/95/73/24/982957324.db2.gz UPKSDFUVWNGFIH-QGZVFWFLSA-N 0 1 297.329 3.527 20 0 CHADMN C(CSC1CCCCC1)Sc1nc(C2CC2)n[nH]1 ZINC000799880093 1118950624 /nfs/dbraw/zinc/95/06/24/1118950624.db2.gz CFGXCWIGYZFGDJ-UHFFFAOYSA-N 0 1 283.466 3.840 20 0 CHADMN C(CSC1CCCCC1)Sc1n[nH]c(C2CC2)n1 ZINC000799880093 1118950625 /nfs/dbraw/zinc/95/06/25/1118950625.db2.gz CFGXCWIGYZFGDJ-UHFFFAOYSA-N 0 1 283.466 3.840 20 0 CHADMN Clc1ccsc1CN1CC[C@H](Cc2nccs2)C1 ZINC000934334790 1119029130 /nfs/dbraw/zinc/02/91/30/1119029130.db2.gz XEYRIEGREHDQBF-SNVBAGLBSA-N 0 1 298.864 3.923 20 0 CHADMN CCCc1cccc(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001596068801 983382187 /nfs/dbraw/zinc/38/21/87/983382187.db2.gz LHHWGOHIJAUGHS-GOSISDBHSA-N 0 1 297.398 3.897 20 0 CHADMN CC1(C)Cc2occc2[C@H](NCc2cccc3c2OCO3)C1 ZINC000130853972 1125486578 /nfs/dbraw/zinc/48/65/78/1125486578.db2.gz WBYTYTAXHYCBNL-CQSZACIVSA-N 0 1 299.370 3.812 20 0 CHADMN CCC1(O)CCN([C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000075859738 1119179359 /nfs/dbraw/zinc/17/93/59/1119179359.db2.gz RTHXAFAMORJVTC-LLVKDONJSA-N 0 1 285.790 3.777 20 0 CHADMN CC[C@H](NCc1cccs1)c1ccc(F)cn1 ZINC000131240117 1125491334 /nfs/dbraw/zinc/49/13/34/1125491334.db2.gz OLDUEAALUBAHSJ-LBPRGKRZSA-N 0 1 250.342 3.523 20 0 CHADMN Cc1cnc([C@@H](C)NCc2c(C)cccc2C)s1 ZINC000123949662 1119306176 /nfs/dbraw/zinc/30/61/76/1119306176.db2.gz IATVXDHGOQJOII-CYBMUJFWSA-N 0 1 260.406 3.919 20 0 CHADMN C/C(=C/c1ccccc1)C[N@H+](C)Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC001589004061 984961174 /nfs/dbraw/zinc/96/11/74/984961174.db2.gz VTTAZJCLCAZICR-LCYFTJDESA-N 0 1 298.386 3.557 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@@H](C)c1ccsc1 ZINC000092328342 1119328786 /nfs/dbraw/zinc/32/87/86/1119328786.db2.gz IJMPKHXBKDPCJS-IUCAKERBSA-N 0 1 250.367 3.765 20 0 CHADMN CC[C@@H]1CCN(Cc2nc(C)c(C(C)(C)C)s2)C1 ZINC001167663464 1119330379 /nfs/dbraw/zinc/33/03/79/1119330379.db2.gz IIHYIRUVZJMQJL-GFCCVEGCSA-N 0 1 266.454 3.981 20 0 CHADMN CSc1ccc(Cl)cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC001238678183 1131230582 /nfs/dbraw/zinc/23/05/82/1131230582.db2.gz VPJQEZIJUQMBTQ-HNNXBMFYSA-N 0 1 297.851 3.817 20 0 CHADMN CSc1ccc(Cl)cc1CN1CCC[C@@]12CCOC2 ZINC001238678183 1131230586 /nfs/dbraw/zinc/23/05/86/1131230586.db2.gz VPJQEZIJUQMBTQ-HNNXBMFYSA-N 0 1 297.851 3.817 20 0 CHADMN C[C@H](SCc1nnc[nH]1)c1ccc(F)c(Cl)c1 ZINC001118538701 1131230591 /nfs/dbraw/zinc/23/05/91/1131230591.db2.gz XYOXZMGWBQIUOU-ZETCQYMHSA-N 0 1 271.748 3.592 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(CC2CCCCC2)no1 ZINC000386676627 1119373172 /nfs/dbraw/zinc/37/31/72/1119373172.db2.gz OZYRUKVDLCQAAT-CYBMUJFWSA-N 0 1 279.428 3.889 20 0 CHADMN Cc1[nH]c(C[N@@H+]2CC(C)(C)[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC001599961098 985782979 /nfs/dbraw/zinc/78/29/79/985782979.db2.gz DHDAWDUNSGJXBI-MRXNPFEDSA-N 0 1 298.386 3.604 20 0 CHADMN Cc1[nH]c(C[N@H+]2CC(C)(C)[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC001599961098 985782986 /nfs/dbraw/zinc/78/29/86/985782986.db2.gz DHDAWDUNSGJXBI-MRXNPFEDSA-N 0 1 298.386 3.604 20 0 CHADMN Cc1[nH]c(C[N@@H+](CC2CC2)C2CCCCC2)cc1C(=O)[O-] ZINC001599961094 985783750 /nfs/dbraw/zinc/78/37/50/985783750.db2.gz DEPLRZKRBSWEIR-UHFFFAOYSA-N 0 1 290.407 3.566 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)[C@@H](C)[C@H]1C ZINC001594536450 986152130 /nfs/dbraw/zinc/15/21/30/986152130.db2.gz QLSQEKQORCRPJW-VWYCJHECSA-N 0 1 281.783 3.515 20 0 CHADMN C[C@@H](N[C@H]1COC2(CCC2)C1)c1c(F)cccc1Cl ZINC000657923351 1119642587 /nfs/dbraw/zinc/64/25/87/1119642587.db2.gz SZYCQXWJARLDSW-GHMZBOCLSA-N 0 1 283.774 3.841 20 0 CHADMN CC1CCC(=CC(=O)Nc2cccc(-c3nnc[nH]3)c2)CC1 ZINC000114691258 1125499167 /nfs/dbraw/zinc/49/91/67/1125499167.db2.gz XSBSPZJGUKHFFM-UHFFFAOYSA-N 0 1 296.374 3.547 20 0 CHADMN CC[C@@H](NCc1cnc(C2CC2)nc1)c1ccc(OC)cc1 ZINC000459360130 1125500966 /nfs/dbraw/zinc/50/09/66/1125500966.db2.gz FDNNFAWAFIWLPA-QGZVFWFLSA-N 0 1 297.402 3.604 20 0 CHADMN CC(C)(C)[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC001589732829 987969117 /nfs/dbraw/zinc/96/91/17/987969117.db2.gz YYPJAFAAEQRTBU-TZMCWYRMSA-N 0 1 295.810 3.834 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccsc2)C1 ZINC001589733184 987974142 /nfs/dbraw/zinc/97/41/42/987974142.db2.gz XOPZGDNNDCSPRM-QWHCGFSZSA-N 0 1 281.421 3.632 20 0 CHADMN CC(C)(C)C[C@@H]1CC[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001589764553 988103595 /nfs/dbraw/zinc/10/35/95/988103595.db2.gz NGXNERQMVFPLFP-FWWRYZNZSA-N 0 1 291.391 3.636 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2cc(C(=O)[O-])cs2)cc1 ZINC001597525901 988166983 /nfs/dbraw/zinc/16/69/83/988166983.db2.gz BKMUTXYDABSBJJ-UHFFFAOYSA-N 0 1 289.400 3.641 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1nccn1C(F)F ZINC000115553022 1125504148 /nfs/dbraw/zinc/50/41/48/1125504148.db2.gz HHLITWBXPNVLAO-GXTWGEPZSA-N 0 1 291.345 3.656 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000115552231 1125504667 /nfs/dbraw/zinc/50/46/67/1125504667.db2.gz VASABZMRFSHEOT-DVOMOZLQSA-N 0 1 297.402 3.886 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+](C)[C@H]1CCCC[C@@H]1CC ZINC001597761408 989188265 /nfs/dbraw/zinc/18/82/65/989188265.db2.gz CSVUGKVTVXNSMA-JSGCOSHPSA-N 0 1 293.407 3.941 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC001597762279 989193024 /nfs/dbraw/zinc/19/30/24/989193024.db2.gz ATHPTOLEUIYUKC-CYBMUJFWSA-N 0 1 293.407 3.798 20 0 CHADMN CCc1oc(C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC001597795861 989348975 /nfs/dbraw/zinc/34/89/75/989348975.db2.gz GAVRNBFGHKJLTF-SJCJKPOMSA-N 0 1 299.370 3.733 20 0 CHADMN CCc1oc(C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001597795863 989349290 /nfs/dbraw/zinc/34/92/90/989349290.db2.gz GAVRNBFGHKJLTF-YVEFUNNKSA-N 0 1 299.370 3.733 20 0 CHADMN Cc1ccc(Cl)c(CN2CC(C)(C)C[C@]2(C)CO)c1F ZINC001138030733 1131455319 /nfs/dbraw/zinc/45/53/19/1131455319.db2.gz QIYSATMCVWIOBF-MRXNPFEDSA-N 0 1 299.817 3.770 20 0 CHADMN CCCN(C)Cc1csc(-c2ccccc2OC)n1 ZINC000123541082 1120021815 /nfs/dbraw/zinc/02/18/15/1120021815.db2.gz YYMFMLJEOIARMD-UHFFFAOYSA-N 0 1 276.405 3.661 20 0 CHADMN CC[C@H](NCc1ncc(C(C)(C)C)s1)[C@@H]1CCCCO1 ZINC000655855663 1120105730 /nfs/dbraw/zinc/10/57/30/1120105730.db2.gz GCFTUAWYIPITJZ-STQMWFEESA-N 0 1 296.480 3.878 20 0 CHADMN C[C@H](NC[C@@H]1CCCCO1)c1c(F)cccc1Cl ZINC000181731589 1120105876 /nfs/dbraw/zinc/10/58/76/1120105876.db2.gz IFYFKQKLOUTYBV-QWRGUYRKSA-N 0 1 271.763 3.699 20 0 CHADMN CC(C)[C@@H]1C[N@@H+](Cc2csc(C(=O)[O-])c2)[C@H]1C(C)C ZINC001591096743 991692546 /nfs/dbraw/zinc/69/25/46/991692546.db2.gz QYJBTHYFMNRZLU-JSGCOSHPSA-N 0 1 281.421 3.559 20 0 CHADMN CC(C)[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccoc1C(=O)[O-] ZINC001591104837 991730395 /nfs/dbraw/zinc/73/03/95/991730395.db2.gz KYCYOGDXAUEGBD-MRXNPFEDSA-N 0 1 299.370 3.733 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC001591119526 991788816 /nfs/dbraw/zinc/78/88/16/991788816.db2.gz FLHZPYHRHWAYST-DZGCQCFKSA-N 0 1 291.391 3.696 20 0 CHADMN CC(C)CCN1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000303874121 1120186439 /nfs/dbraw/zinc/18/64/39/1120186439.db2.gz IFZQXYFJJAGMLX-CJNGLKHVSA-N 0 1 265.372 3.634 20 0 CHADMN CC[C@H]1C[C@H](CN2CCc3sc(Cl)cc3C2)CCO1 ZINC000581430125 1120204735 /nfs/dbraw/zinc/20/47/35/1120204735.db2.gz LBRIHSWQABMHTD-YPMHNXCESA-N 0 1 299.867 3.965 20 0 CHADMN CC(C)CCCC[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001591236992 992119774 /nfs/dbraw/zinc/11/97/74/992119774.db2.gz RFWLVNPVQWDNTG-UHFFFAOYSA-N 0 1 275.392 3.569 20 0 CHADMN CC(C)CCCC[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001591237065 992121087 /nfs/dbraw/zinc/12/10/87/992121087.db2.gz XCWGURIECBJRRY-SFHVURJKSA-N 0 1 289.419 3.541 20 0 CHADMN CC(C)C[N@@H+](C[C@H]1CCCC[C@H]1C(=O)[O-])C1CCCC1 ZINC001591322292 992293677 /nfs/dbraw/zinc/29/36/77/992293677.db2.gz WHENQZSJXQVQAM-GDBMZVCRSA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)C[N@@H+](CCCCC(=O)[O-])Cc1ccccc1F ZINC001591339691 992317576 /nfs/dbraw/zinc/31/75/76/992317576.db2.gz UIQMEJLVUPDEQT-UHFFFAOYSA-N 0 1 281.371 3.539 20 0 CHADMN C[N@@H+](Cc1cc(C(=O)[O-])co1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001598506707 992514004 /nfs/dbraw/zinc/51/40/04/992514004.db2.gz FSRHJFFTXZEAJD-ZIAGYGMSSA-N 0 1 279.380 3.624 20 0 CHADMN CC[C@@H](C)C[C@@H](C)Nc1cc(OC(F)F)ccn1 ZINC001168692691 1120269518 /nfs/dbraw/zinc/26/95/18/1120269518.db2.gz JFBGHAIGDSVSTR-NXEZZACHSA-N 0 1 258.312 3.920 20 0 CHADMN C[C@H](N[C@H]1CCC(F)(F)C1)c1nc2c(s1)CCCC2 ZINC000679071811 1120292498 /nfs/dbraw/zinc/29/24/98/1120292498.db2.gz LKMGQIMJASPUOM-UWVGGRQHSA-N 0 1 286.391 3.860 20 0 CHADMN C[C@H](N[C@H]1CCCC1(F)F)[C@@H](C)c1ccccc1 ZINC000672621890 1120335777 /nfs/dbraw/zinc/33/57/77/1120335777.db2.gz NBCJJHLRYXHJKP-DYEKYZERSA-N 0 1 253.336 3.956 20 0 CHADMN C[C@@H](O)[C@@H](NCc1ccc(Cl)s1)c1ccccc1 ZINC000657815488 1120528353 /nfs/dbraw/zinc/52/83/53/1120528353.db2.gz HRUQPLGUPZQCAU-QMTHXVAHSA-N 0 1 281.808 3.613 20 0 CHADMN CC(C)[C@H](CC(F)(F)F)NCc1cc(C2CC2)no1 ZINC000660372413 1120546264 /nfs/dbraw/zinc/54/62/64/1120546264.db2.gz FPOMUBMAGUXFSB-LBPRGKRZSA-N 0 1 276.302 3.619 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccccn2)cc1Cl ZINC000193730657 1120579886 /nfs/dbraw/zinc/57/98/86/1120579886.db2.gz NGHCVSPIIOOOLS-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001593700102 996173985 /nfs/dbraw/zinc/17/39/85/996173985.db2.gz USFYLIGDXPWESP-IRWQIABSSA-N 0 1 299.414 3.566 20 0 CHADMN C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2noc3c2CCCC3)C1 ZINC000125339711 1120605896 /nfs/dbraw/zinc/60/58/96/1120605896.db2.gz CSKROKYDTVZLEU-CHWSQXEVSA-N 0 1 262.397 3.564 20 0 CHADMN CC(C)CCCN1CCO[C@@H](c2cccs2)C1 ZINC000429053009 1120632229 /nfs/dbraw/zinc/63/22/29/1120632229.db2.gz IWRPPPZQHYGUQX-CYBMUJFWSA-N 0 1 253.411 3.558 20 0 CHADMN Fc1cc(CN2CCC[C@H]3CCC[C@H]32)cc(F)c1F ZINC000511870061 1120679999 /nfs/dbraw/zinc/67/99/99/1120679999.db2.gz BUOURYPVWFMHBB-BXUZGUMPSA-N 0 1 269.310 3.868 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cc(Cl)cs1 ZINC000093095174 1120700457 /nfs/dbraw/zinc/70/04/57/1120700457.db2.gz XSUSKXLLQPMFSK-SSDOTTSWSA-N 0 1 270.785 3.857 20 0 CHADMN CCc1ccc([C@H](COC)N[C@H](COC)CC(C)(C)C)o1 ZINC000651714600 1120720576 /nfs/dbraw/zinc/72/05/76/1120720576.db2.gz HKUILEUIDQUSKZ-ZFWWWQNUSA-N 0 1 297.439 3.570 20 0 CHADMN C[C@]1(C2CCCCC2)CC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC001593992518 997273929 /nfs/dbraw/zinc/27/39/29/997273929.db2.gz LIPGXXXEHQIWBE-MRXNPFEDSA-N 0 1 277.364 3.523 20 0 CHADMN C[C@]1(C2CCCCC2)CC[N@H+]1C[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001593992847 997276403 /nfs/dbraw/zinc/27/64/03/997276403.db2.gz PLVVBFZJSNUOEN-UWWQBHOKSA-N 0 1 293.451 3.922 20 0 CHADMN FCC[C@H]1CCCN(Cc2ccc(Cl)s2)C1 ZINC000661691107 1120795692 /nfs/dbraw/zinc/79/56/92/1120795692.db2.gz STPBPPZUQQEYJN-SNVBAGLBSA-N 0 1 261.793 3.973 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000661859178 1120826831 /nfs/dbraw/zinc/82/68/31/1120826831.db2.gz PONCYLOCMZVOPN-WOPDTQHZSA-N 0 1 269.335 3.525 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1csc(C2CC2)n1 ZINC000662129889 1120882217 /nfs/dbraw/zinc/88/22/17/1120882217.db2.gz NDKGUXRCNKXJAF-FTNCPSPGSA-N 0 1 262.422 3.783 20 0 CHADMN CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](C)C1(C(=O)[O-])CCCCC1 ZINC001594112872 998217088 /nfs/dbraw/zinc/21/70/88/998217088.db2.gz BAPHJOFLKLUDCY-HUUCEWRRSA-N 0 1 279.424 3.698 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccn[nH]1 ZINC000049652618 1121049092 /nfs/dbraw/zinc/04/90/92/1121049092.db2.gz ZYSFFLPNSOSQCA-QMMMGPOBSA-N 0 1 298.173 3.550 20 0 CHADMN COC1(CNCc2nc(C(C)C)cs2)CCCCC1 ZINC000359672680 1121151204 /nfs/dbraw/zinc/15/12/04/1121151204.db2.gz NGIQFBGXLMDTPM-UHFFFAOYSA-N 0 1 282.453 3.705 20 0 CHADMN C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001594330199 999269495 /nfs/dbraw/zinc/26/94/95/999269495.db2.gz LMPFLUCZRZQILA-GUYCJALGSA-N 0 1 298.386 3.686 20 0 CHADMN C[C@H](N(C)Cc1ncc(C(C)(C)C)o1)C1(C)CC1 ZINC000336719316 1121166396 /nfs/dbraw/zinc/16/63/96/1121166396.db2.gz VTMMTTLTPWEZCH-NSHDSACASA-N 0 1 250.386 3.593 20 0 CHADMN Clc1cnc(CN2CC[C@@H](C3CCCCC3)C2)cn1 ZINC000708828548 1121466246 /nfs/dbraw/zinc/46/62/46/1121466246.db2.gz ZGRZCENPLQRMME-CYBMUJFWSA-N 0 1 279.815 3.532 20 0 CHADMN Cc1csc([C@H](C)N[C@H](C)COc2ccccc2)n1 ZINC000710990080 1121476333 /nfs/dbraw/zinc/47/63/33/1121476333.db2.gz QUEJOEBUDDFGKZ-YPMHNXCESA-N 0 1 276.405 3.570 20 0 CHADMN Fc1cc(Cl)ccc1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000625778839 1121496338 /nfs/dbraw/zinc/49/63/38/1121496338.db2.gz QJNVJJXRQJMJSH-OLZOCXBDSA-N 0 1 285.815 3.949 20 0 CHADMN CC[C@]1(C)CCCN(Cc2ncoc2C(C)C)C1 ZINC000092798277 1121575174 /nfs/dbraw/zinc/57/51/74/1121575174.db2.gz ATWQSKZFEZLFSS-OAHLLOKOSA-N 0 1 250.386 3.810 20 0 CHADMN CCS[C@H]1CCCCN(Cc2nc3c(s2)CCC3)C1 ZINC000611414874 1121646502 /nfs/dbraw/zinc/64/65/02/1121646502.db2.gz IGYDRLJCMAYPNV-LBPRGKRZSA-N 0 1 296.505 3.739 20 0 CHADMN C[C@@]12CSC[C@@H]1CN(Cc1ccc(F)c(Cl)c1)C2 ZINC001176803406 1121694573 /nfs/dbraw/zinc/69/45/73/1121694573.db2.gz FNXRHBZAXVZTRD-SMDDNHRTSA-N 0 1 285.815 3.664 20 0 CHADMN C[C@H](N[C@H]1C=CCC1)c1sccc1Br ZINC000698325041 1121755614 /nfs/dbraw/zinc/75/56/14/1121755614.db2.gz AECNUPSDJVZHCX-IUCAKERBSA-N 0 1 272.211 3.880 20 0 CHADMN CC[C@@H](CC(=O)NCc1cnc(C(C)C)[nH]1)C(C)(C)C ZINC001179092650 1121848775 /nfs/dbraw/zinc/84/87/75/1121848775.db2.gz UOUHNKYCXUQXFG-LBPRGKRZSA-N 0 1 279.428 3.612 20 0 CHADMN COC[C@H](NCCSC1CCCCC1)c1ccc(C)o1 ZINC000501009978 1121936791 /nfs/dbraw/zinc/93/67/91/1121936791.db2.gz GYKAPWXCVAGATJ-HNNXBMFYSA-N 0 1 297.464 3.931 20 0 CHADMN Cc1c(CN(C(C)C)[C@@H](C)c2ccsc2)cnn1C ZINC000421017880 1122065512 /nfs/dbraw/zinc/06/55/12/1122065512.db2.gz VRAVLDCVEHMEKY-ZDUSSCGKSA-N 0 1 277.437 3.762 20 0 CHADMN CCc1nc(CNCCc2c(F)cccc2Cl)cs1 ZINC000151993740 1122102288 /nfs/dbraw/zinc/10/22/88/1122102288.db2.gz JEHDLHCAQDXKJA-UHFFFAOYSA-N 0 1 298.814 3.830 20 0 CHADMN C[C@H](CN[C@H](C)c1cscn1)Oc1cccc(Cl)c1 ZINC000271440756 1122167504 /nfs/dbraw/zinc/16/75/04/1122167504.db2.gz DGSJPVYCOCLRSF-GHMZBOCLSA-N 0 1 296.823 3.915 20 0 CHADMN CO[C@@H]1CC[C@@H](N(C)Cc2c(Cl)cccc2Cl)C1 ZINC001190560946 1122543471 /nfs/dbraw/zinc/54/34/71/1122543471.db2.gz MXHFIMWGEPJWRP-GHMZBOCLSA-N 0 1 288.218 3.993 20 0 CHADMN CO[C@@]1(C)C[C@H](N(C)Cc2cc(F)ccc2F)C1(C)C ZINC001191202652 1122581790 /nfs/dbraw/zinc/58/17/90/1122581790.db2.gz HWDHGIXYCZIKLM-HOCLYGCPSA-N 0 1 283.362 3.600 20 0 CHADMN C[C@@H](C1CCCCC1)N(C)Cc1cc(F)ncc1F ZINC000824297523 1131461463 /nfs/dbraw/zinc/46/14/63/1131461463.db2.gz WAZASTBJCMJLJQ-NSHDSACASA-N 0 1 268.351 3.760 20 0 CHADMN CC[C@@H](NCc1cnoc1C)c1ccc(C)c(F)c1 ZINC001192564695 1122651225 /nfs/dbraw/zinc/65/12/25/1122651225.db2.gz CBEUOFMOULZTCG-OAHLLOKOSA-N 0 1 262.328 3.671 20 0 CHADMN COC(=O)[C@H](NC[C@@H]1CCC[C@@H](C)C1)C1CCCCC1 ZINC001193167155 1122679462 /nfs/dbraw/zinc/67/94/62/1122679462.db2.gz WKSYNNSAGCTFNL-IIAWOOMASA-N 0 1 281.440 3.524 20 0 CHADMN CC(C)N(Cc1cnc(N)s1)Cc1cccc(Cl)c1 ZINC000261949810 1122689946 /nfs/dbraw/zinc/68/99/46/1122689946.db2.gz FTFGTFLKHROKOA-UHFFFAOYSA-N 0 1 295.839 3.789 20 0 CHADMN CC[C@H](NCc1conc1C)c1ccc(Cl)s1 ZINC000293645041 1122716207 /nfs/dbraw/zinc/71/62/07/1122716207.db2.gz RXTQOVJHSSFEMW-JTQLQIEISA-N 0 1 270.785 3.939 20 0 CHADMN C[C@H]1CC[C@H](CSc2nc3ccc(Cl)cc3[nH]2)O1 ZINC000473795613 1122899083 /nfs/dbraw/zinc/89/90/83/1122899083.db2.gz KXJHDWJQYAZDEL-WCBMZHEXSA-N 0 1 282.796 3.876 20 0 CHADMN CC(=O)CN(Cc1ccc(F)c(Cl)c1)CC(C)C ZINC001196471092 1122922748 /nfs/dbraw/zinc/92/27/48/1122922748.db2.gz YFZPMIBTEYBSBR-UHFFFAOYSA-N 0 1 271.763 3.526 20 0 CHADMN Oc1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)nc1 ZINC001250998595 1122925364 /nfs/dbraw/zinc/92/53/64/1122925364.db2.gz ACJFZDNURNSULM-UHFFFAOYSA-N 0 1 280.114 3.637 20 0 CHADMN CCCCN(CC)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001198742082 1123007391 /nfs/dbraw/zinc/00/73/91/1123007391.db2.gz KUZYNQKHSCHBAK-LBPRGKRZSA-N 0 1 266.454 3.890 20 0 CHADMN CC[C@@H](F)CN1CCSC[C@H]1c1ccc(C)cc1 ZINC000440700013 1123029816 /nfs/dbraw/zinc/02/98/16/1123029816.db2.gz FDNXDIPOHGDOTN-CABCVRRESA-N 0 1 267.413 3.833 20 0 CHADMN CC[C@@H](F)CN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000440700328 1123030672 /nfs/dbraw/zinc/03/06/72/1123030672.db2.gz XCKGFMYELIBBPY-LLVKDONJSA-N 0 1 287.325 3.556 20 0 CHADMN Cc1cc(F)cc(CN(C)Cc2ccc(F)cc2)c1 ZINC001143580385 1123059884 /nfs/dbraw/zinc/05/98/84/1123059884.db2.gz IARYKJWGCNLDGQ-UHFFFAOYSA-N 0 1 261.315 3.905 20 0 CHADMN CC(C)=CCC[C@@H](C)CN1CCN(C(=O)C(C)(C)C)CC1 ZINC001201496574 1123110148 /nfs/dbraw/zinc/11/01/48/1123110148.db2.gz PAEXJPAIKUMZOY-MRXNPFEDSA-N 0 1 294.483 3.559 20 0 CHADMN c1csc(-c2nc(CN[C@H]3C=CCC3)cs2)c1 ZINC000850358753 1123256571 /nfs/dbraw/zinc/25/65/71/1123256571.db2.gz KSVFTURADXMYDZ-JTQLQIEISA-N 0 1 262.403 3.680 20 0 CHADMN CCN(Cc1csc(-c2ccco2)n1)C1CCC1 ZINC000353881074 1123311831 /nfs/dbraw/zinc/31/18/31/1123311831.db2.gz PRFDZEZPNQHDLD-UHFFFAOYSA-N 0 1 262.378 3.778 20 0 CHADMN CC(C)CCc1noc([C@H](C)N2[C@@H](C)CC[C@@H]2C)n1 ZINC000443083674 1123355212 /nfs/dbraw/zinc/35/52/12/1123355212.db2.gz FEHMGYSMSWFEGZ-AVGNSLFASA-N 0 1 265.401 3.592 20 0 CHADMN CC(C)(NCc1cccc(F)n1)c1ccc(Cl)cc1 ZINC000851838078 1123384056 /nfs/dbraw/zinc/38/40/56/1123384056.db2.gz SMKRTZLQXLBGNX-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN CCN(Cc1cc(C)cc(F)c1)Cc1ccccn1 ZINC001143590578 1123405028 /nfs/dbraw/zinc/40/50/28/1123405028.db2.gz ZJAKMXPYITVZOH-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN Fc1cc(CN[C@@H]2C[C@H]2C(F)(F)F)ccc1C(F)F ZINC000895784250 1123513982 /nfs/dbraw/zinc/51/39/82/1123513982.db2.gz XZXIXQYXDSXVBV-PSASIEDQSA-N 0 1 283.215 3.804 20 0 CHADMN C[C@H]1CCC[C@H](C(=O)Nc2cc(F)cc(Cl)c2O)C1 ZINC000474440805 1123530886 /nfs/dbraw/zinc/53/08/86/1123530886.db2.gz VFAZYLRBWHOPLK-IUCAKERBSA-N 0 1 285.746 3.950 20 0 CHADMN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNCc1csc(C(F)(F)F)n1 ZINC000896049395 1123544734 /nfs/dbraw/zinc/54/47/34/1123544734.db2.gz ZAQHNNBQCDCMSD-HZQMYPQZSA-N 0 1 290.354 3.544 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccns2)c(C)c1 ZINC000858576089 1123663863 /nfs/dbraw/zinc/66/38/63/1123663863.db2.gz HUZKPWIRSXLSSP-RYUDHWBXSA-N 0 1 276.405 3.872 20 0 CHADMN CCOC(C)(C)CNc1ccnc2cc(F)ccc21 ZINC000302519039 1123971313 /nfs/dbraw/zinc/97/13/13/1123971313.db2.gz WNYROPJCXDWXHP-UHFFFAOYSA-N 0 1 262.328 3.601 20 0 CHADMN CC(C)[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccc(F)cn1 ZINC000866450109 1124066777 /nfs/dbraw/zinc/06/67/77/1124066777.db2.gz OEUHJBCIRFJTHF-GZBFAFLISA-N 0 1 268.351 3.788 20 0 CHADMN C[C@H](CC(C)(C)C)NCc1cc(COC(C)(C)C)on1 ZINC000449256758 1124678035 /nfs/dbraw/zinc/67/80/35/1124678035.db2.gz JTNHVYSUMXJDKO-GFCCVEGCSA-N 0 1 282.428 3.904 20 0 CHADMN CC(C)(C)[C@H]1C[C@@H](NCC(F)(F)C(C)(C)C)CCO1 ZINC000872087791 1124680764 /nfs/dbraw/zinc/68/07/64/1124680764.db2.gz HLCJZPMDZQTVJS-NWDGAFQWSA-N 0 1 277.399 3.851 20 0 CHADMN CO[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000449495159 1124769529 /nfs/dbraw/zinc/76/95/29/1124769529.db2.gz HLDDPYVKILAUSV-YGRLFVJLSA-N 0 1 288.218 3.850 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cc2cc(F)ncc2F)C1 ZINC000824320630 1131464098 /nfs/dbraw/zinc/46/40/98/1131464098.db2.gz ILYBGPZMCNFRRA-LBPRGKRZSA-N 0 1 268.351 3.618 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc(Cl)nn2)c(C)s1 ZINC000876914824 1124989553 /nfs/dbraw/zinc/98/95/53/1124989553.db2.gz WISMEBUFXVHQBP-VIFPVBQESA-N 0 1 281.812 3.659 20 0 CHADMN Clc1csc(CN[C@@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000877044561 1125002184 /nfs/dbraw/zinc/00/21/84/1125002184.db2.gz CSMPKGKBRYYRMB-NWDGAFQWSA-N 0 1 278.808 3.517 20 0 CHADMN Cc1nc(C)c(CN2CC([C@H]3CCC[C@H](C)C3)C2)o1 ZINC000877763972 1125076062 /nfs/dbraw/zinc/07/60/62/1125076062.db2.gz POCLMSQZABSMBA-FZMZJTMJSA-N 0 1 262.397 3.550 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CC[C@](C)(C(F)(F)F)C1 ZINC000877812035 1125083175 /nfs/dbraw/zinc/08/31/75/1125083175.db2.gz FUBYNDCSNVPKTJ-ZDUSSCGKSA-N 0 1 289.345 3.547 20 0 CHADMN FC(F)(F)[C@@H]1CC=CC[C@H]1NCc1scnc1Cl ZINC000879673045 1125225684 /nfs/dbraw/zinc/22/56/84/1125225684.db2.gz OAOVDVYXWBRAAQ-HTQZYQBOSA-N 0 1 296.745 3.783 20 0 CHADMN CCSc1ccc(CNCc2c(C)noc2C)cc1 ZINC000883237243 1125382060 /nfs/dbraw/zinc/38/20/60/1125382060.db2.gz WDVYJOPFYJPUIP-UHFFFAOYSA-N 0 1 276.405 3.693 20 0 CHADMN C[C@@H](NC[C@@H]1CCC(C)(C)CO1)c1cccnc1Cl ZINC000883249651 1125384767 /nfs/dbraw/zinc/38/47/67/1125384767.db2.gz NCZABDPNYYCTCB-NEPJUHHUSA-N 0 1 282.815 3.591 20 0 CHADMN CCC[C@H]1CN(Cc2c(C)cc(C)cc2C)CCO1 ZINC001168199959 1125393258 /nfs/dbraw/zinc/39/32/58/1125393258.db2.gz CRLGCSCMBLJAIK-INIZCTEOSA-N 0 1 261.409 3.613 20 0 CHADMN Fc1cccc(F)c1C1(NCCC(F)(F)F)CCC1 ZINC000626178367 1125419932 /nfs/dbraw/zinc/41/99/32/1125419932.db2.gz RIRQKLJPWPLQCK-UHFFFAOYSA-N 0 1 279.252 3.886 20 0 CHADMN CCC[C@@H](NCc1nnc(C(C)(C)C)o1)C(C)(C)C ZINC000831165774 1131478493 /nfs/dbraw/zinc/47/84/93/1131478493.db2.gz MMLJSRRTBAMZLU-LLVKDONJSA-N 0 1 267.417 3.672 20 0 CHADMN COc1ccc(F)c(CN2CCC[C@@H](C)CC2)c1F ZINC001143969572 1131561073 /nfs/dbraw/zinc/56/10/73/1131561073.db2.gz DNRQHXFHTCSESD-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN CCOc1ccc(F)c(CN2CC[C@@H](CC)C2)c1F ZINC001143946157 1131558469 /nfs/dbraw/zinc/55/84/69/1131558469.db2.gz BRWWUPYKPBISCR-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN CCOc1ccc(F)c(CN2CCC[C@H]2C(C)C)c1F ZINC001143947389 1131558479 /nfs/dbraw/zinc/55/84/79/1131558479.db2.gz OKHAOVJUUJKIQV-AWEZNQCLSA-N 0 1 283.362 3.984 20 0 CHADMN COc1ccc(F)c(CN2CCC[C@@H]2C(C)C)c1F ZINC001143980354 1131565851 /nfs/dbraw/zinc/56/58/51/1131565851.db2.gz LJXNWWGZINZDKT-CYBMUJFWSA-N 0 1 269.335 3.594 20 0 CHADMN Fc1cc(F)c(CN2C[C@@H]3CCC[C@H]3C2)cc1Cl ZINC001144120239 1131587141 /nfs/dbraw/zinc/58/71/41/1131587141.db2.gz FBSGUDZTIBHYPW-UWVGGRQHSA-N 0 1 271.738 3.850 20 0 CHADMN Cc1cc(Br)cc(CN2CC3CC(C3)C2)c1 ZINC001144222026 1131600729 /nfs/dbraw/zinc/60/07/29/1131600729.db2.gz LKVKSSADVKLVBH-UHFFFAOYSA-N 0 1 280.209 3.599 20 0 CHADMN COc1cc(Cl)cc(CN2CCC(OC(C)C)CC2)c1 ZINC001144488940 1131644168 /nfs/dbraw/zinc/64/41/68/1131644168.db2.gz ZQZJPZXUHDEMPI-UHFFFAOYSA-N 0 1 297.826 3.738 20 0 CHADMN CC[C@H](Oc1[nH]c(=O)ncc1Cl)c1ccccc1F ZINC001228482374 1131894130 /nfs/dbraw/zinc/89/41/30/1131894130.db2.gz MAOFFWJMPFUZFC-NSHDSACASA-N 0 1 282.702 3.505 20 0 CHADMN CCC[C@H](Oc1nc(Cl)nc2nc[nH]c21)[C@@H](C)CC ZINC001228510151 1131899994 /nfs/dbraw/zinc/89/99/94/1131899994.db2.gz VHJHYCFSBLZFND-IUCAKERBSA-N 0 1 282.775 3.600 20 0 CHADMN CCCC[N@@H+](CCC)Cc1cc(F)c([O-])c(F)c1 ZINC001140989868 1131979248 /nfs/dbraw/zinc/97/92/48/1131979248.db2.gz FFXKUHGGTBJLIO-UHFFFAOYSA-N 0 1 257.324 3.683 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccns1)c1ccc(OC)cc1 ZINC000715920035 1131995737 /nfs/dbraw/zinc/99/57/37/1131995737.db2.gz LGOPFFCCWVZYFV-FZMZJTMJSA-N 0 1 276.405 3.954 20 0 CHADMN C[C@H](NCc1ccc(Cl)c(F)c1)c1ccns1 ZINC000716054350 1132003246 /nfs/dbraw/zinc/00/32/46/1132003246.db2.gz JVAHMCYHIIKTHN-QMMMGPOBSA-N 0 1 270.760 3.786 20 0 CHADMN COc1ccc(C(F)(F)F)cc1CN1CCC[C@@H]1C ZINC001141201077 1132041497 /nfs/dbraw/zinc/04/14/97/1132041497.db2.gz ZPEHKNWKTZIXMT-JTQLQIEISA-N 0 1 273.298 3.698 20 0 CHADMN Cc1ccc(Cl)cc1[C@@H](C)Oc1nc[nH]c(=O)c1Cl ZINC001230018799 1132145873 /nfs/dbraw/zinc/14/58/73/1132145873.db2.gz ULAFSYGYVPVLDF-MRVPVSSYSA-N 0 1 299.157 3.937 20 0 CHADMN Cc1cc(C)cc(OCCN(C)CCC(F)(F)F)c1 ZINC000064635210 1132240690 /nfs/dbraw/zinc/24/06/90/1132240690.db2.gz ROUXQRPGYMNXNT-UHFFFAOYSA-N 0 1 275.314 3.566 20 0 CHADMN C[C@]1(F)CCCN(Cc2nc3c(s2)CCCC3)CC1 ZINC001231580231 1132319011 /nfs/dbraw/zinc/31/90/11/1132319011.db2.gz KXVCLEFYKULLPK-HNNXBMFYSA-N 0 1 282.428 3.736 20 0 CHADMN C[N@H+](CCc1cccs1)Cc1ccc(Cl)c([O-])c1 ZINC001231733889 1132350884 /nfs/dbraw/zinc/35/08/84/1132350884.db2.gz KXEWPWFXCWHSFD-UHFFFAOYSA-N 0 1 281.808 3.782 20 0 CHADMN C[N@@H+](CCc1cccs1)Cc1ccc(Cl)c([O-])c1 ZINC001231733889 1132350892 /nfs/dbraw/zinc/35/08/92/1132350892.db2.gz KXEWPWFXCWHSFD-UHFFFAOYSA-N 0 1 281.808 3.782 20 0 CHADMN C[N@H+](Cc1ccccc1)Cc1ccc(Cl)c([O-])c1 ZINC001231732892 1132351343 /nfs/dbraw/zinc/35/13/43/1132351343.db2.gz IZFDEJJJWPBCSZ-UHFFFAOYSA-N 0 1 261.752 3.678 20 0 CHADMN C[N@@H+](Cc1ccccc1)Cc1ccc(Cl)c([O-])c1 ZINC001231732892 1132351351 /nfs/dbraw/zinc/35/13/51/1132351351.db2.gz IZFDEJJJWPBCSZ-UHFFFAOYSA-N 0 1 261.752 3.678 20 0 CHADMN C[C@H](CSc1ccc(Cl)cc1)N(C)C1(C)COC1 ZINC001172881557 1132359305 /nfs/dbraw/zinc/35/93/05/1132359305.db2.gz IGMIZJMUPSHGNN-LLVKDONJSA-N 0 1 285.840 3.541 20 0 CHADMN C[C@@H]1CCC[N@H+]1Cc1cnc(C(F)(F)F)cc1Cl ZINC001231898394 1132395797 /nfs/dbraw/zinc/39/57/97/1132395797.db2.gz LOGIVXDHTRNGEG-MRVPVSSYSA-N 0 1 278.705 3.738 20 0 CHADMN C[C@@H]1CCCN1Cc1cnc(C(F)(F)F)cc1Cl ZINC001231898394 1132395805 /nfs/dbraw/zinc/39/58/05/1132395805.db2.gz LOGIVXDHTRNGEG-MRVPVSSYSA-N 0 1 278.705 3.738 20 0 CHADMN CCSC[C@H](C)N(C)Cc1nc2ccccc2s1 ZINC001173301434 1132446615 /nfs/dbraw/zinc/44/66/15/1132446615.db2.gz SQQBUBQLJAQPOJ-NSHDSACASA-N 0 1 280.462 3.870 20 0 CHADMN CCCCCC[C@@H](CC)c1nc([C@@H]2CCCN2)no1 ZINC000842638453 1132448070 /nfs/dbraw/zinc/44/80/70/1132448070.db2.gz AWWKWPVOLZRQER-OLZOCXBDSA-N 0 1 265.401 3.958 20 0 CHADMN CCSC[C@@H](C)N1CCc2c(Cl)cccc2C1 ZINC001173308217 1132449890 /nfs/dbraw/zinc/44/98/90/1132449890.db2.gz DVDJAHHFJMKHLY-LLVKDONJSA-N 0 1 269.841 3.840 20 0 CHADMN CCN(Cc1c(F)cc(Cl)cc1OC)C(C)C ZINC001233001407 1132560401 /nfs/dbraw/zinc/56/04/01/1132560401.db2.gz IMFAKYTXWXBAEB-UHFFFAOYSA-N 0 1 259.752 3.718 20 0 CHADMN CCOc1ncc(Cl)cc1CN(C)C[C@@H]1CC1(C)C ZINC001233173699 1132579326 /nfs/dbraw/zinc/57/93/26/1132579326.db2.gz ZZVQLVSXJRRSRL-LBPRGKRZSA-N 0 1 282.815 3.612 20 0 CHADMN CSc1cccc(Cl)c1CN1CC[C@](C)(O)[C@H](C)C1 ZINC001233350439 1132608332 /nfs/dbraw/zinc/60/83/32/1132608332.db2.gz HPOMKQUCJMAFSB-ABAIWWIYSA-N 0 1 299.867 3.655 20 0 CHADMN FC(F)(F)Oc1ccc(Cl)cc1Nc1ccncc1 ZINC001173883080 1132622980 /nfs/dbraw/zinc/62/29/80/1132622980.db2.gz GAFPGNXHIHHZSR-UHFFFAOYSA-N 0 1 288.656 3.799 20 0 CHADMN Clc1cc(Nc2ccncc2)ccc1Br ZINC001173882790 1132622994 /nfs/dbraw/zinc/62/29/94/1132622994.db2.gz UMLOBAZGHFOGPF-UHFFFAOYSA-N 0 1 283.556 3.663 20 0 CHADMN FC(F)(F)c1ccc(Cl)cc1Nc1ccncc1 ZINC001173883765 1132625302 /nfs/dbraw/zinc/62/53/02/1132625302.db2.gz REIFKWYWOHYLJK-UHFFFAOYSA-N 0 1 272.657 3.919 20 0 CHADMN FC(F)(F)c1ccccc1CN1CCC[C@H]2C[C@H]21 ZINC001203693857 1133354982 /nfs/dbraw/zinc/35/49/82/1133354982.db2.gz OONNWPNCOLFXFB-GXFFZTMASA-N 0 1 255.283 3.690 20 0 CHADMN Fc1ccc(CN2CCC23CCCC3)c(Cl)c1 ZINC001204434294 1133446833 /nfs/dbraw/zinc/44/68/33/1133446833.db2.gz HVWUDFGCDZKQTF-UHFFFAOYSA-N 0 1 253.748 3.998 20 0 CHADMN CCOc1cc(C[N@H+]2CCCC2(C)C)c(F)cc1OC ZINC001204648326 1133471042 /nfs/dbraw/zinc/47/10/42/1133471042.db2.gz QLBRSVMKNLOXPZ-UHFFFAOYSA-N 0 1 281.371 3.607 20 0 CHADMN COCCN(Cc1ccc(C(F)(F)F)cc1F)C(C)C ZINC001204470795 1133451544 /nfs/dbraw/zinc/45/15/44/1133451544.db2.gz CJKJCNKEKUTQQQ-UHFFFAOYSA-N 0 1 293.304 3.701 20 0 CHADMN F[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 ZINC001209117152 1133977899 /nfs/dbraw/zinc/97/78/99/1133977899.db2.gz BFQFCNQIHQCINY-ZDUSSCGKSA-N 0 1 275.289 3.682 20 0 CHADMN COc1cnccc1Nc1cccc(Cl)c1Cl ZINC001211263926 1134399332 /nfs/dbraw/zinc/39/93/32/1134399332.db2.gz NXOWCAKXJRIEHD-UHFFFAOYSA-N 0 1 269.131 3.563 20 0 CHADMN O=c1[nH]ccc(Nc2ccc(Cl)c(O)c2F)c1Cl ZINC001214798065 1134574031 /nfs/dbraw/zinc/57/40/31/1134574031.db2.gz KUKDBVGKOQDYJR-UHFFFAOYSA-N 0 1 289.093 3.682 20 0 CHADMN Cc1ncc(Nc2ccc(Cl)c(O)c2F)c(Cl)n1 ZINC001214793673 1134574067 /nfs/dbraw/zinc/57/40/67/1134574067.db2.gz IRMHKFMIGQNNOA-UHFFFAOYSA-N 0 1 288.109 3.680 20 0 CHADMN CN(c1cccc(N)c1)c1ccc(Cl)c(O)c1F ZINC001214806297 1134576321 /nfs/dbraw/zinc/57/63/21/1134576321.db2.gz DHNCOSOGRDDNNM-UHFFFAOYSA-N 0 1 266.703 3.535 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(OC(F)F)c2)o1 ZINC000050958656 1125507884 /nfs/dbraw/zinc/50/78/84/1125507884.db2.gz OUFPIGMSLDHXHF-UHFFFAOYSA-N 0 1 281.302 3.821 20 0 CHADMN Clc1ccc(C2(NCc3cc[nH]n3)CCCC2)cc1 ZINC000116348594 1125508255 /nfs/dbraw/zinc/50/82/55/1125508255.db2.gz OVFMBFOTDSKKDB-UHFFFAOYSA-N 0 1 275.783 3.622 20 0 CHADMN CCCCC[N@@H+](CCCC(=O)[O-])Cc1ccc(F)cc1 ZINC000116341856 1125509108 /nfs/dbraw/zinc/50/91/08/1125509108.db2.gz SROYKMHVKRAXHO-UHFFFAOYSA-N 0 1 281.371 3.683 20 0 CHADMN COCCCCCN[C@H](c1nccs1)c1ccccc1 ZINC000116878018 1125513579 /nfs/dbraw/zinc/51/35/79/1125513579.db2.gz WOVNXONWJAPDKI-HNNXBMFYSA-N 0 1 290.432 3.639 20 0 CHADMN CCc1cccc(CC)c1NC(=O)CN1CCCC[C@H]1C ZINC000014193857 1125516642 /nfs/dbraw/zinc/51/66/42/1125516642.db2.gz DMFSGOPTECEOGN-CQSZACIVSA-N 0 1 288.435 3.624 20 0 CHADMN CCCN(CCc1cccc(F)c1)Cc1nccs1 ZINC000135079864 1125521647 /nfs/dbraw/zinc/52/16/47/1125521647.db2.gz CPICQPJKRDQFDA-UHFFFAOYSA-N 0 1 278.396 3.737 20 0 CHADMN C[C@H]1CN(Cc2nccs2)CC[C@@H]1c1ccccc1 ZINC000135100327 1125522453 /nfs/dbraw/zinc/52/24/53/1125522453.db2.gz CJJWXVJARISRIV-ZFWWWQNUSA-N 0 1 272.417 3.769 20 0 CHADMN CCc1noc(C)c1CN1CCc2ccccc2[C@H]1C ZINC000119033018 1125528273 /nfs/dbraw/zinc/52/82/73/1125528273.db2.gz IUADRQAOEPNSOW-GFCCVEGCSA-N 0 1 270.376 3.665 20 0 CHADMN COc1ccc(CN2CCC(OC(C)(C)C)CC2)cc1F ZINC000119114549 1125528810 /nfs/dbraw/zinc/52/88/10/1125528810.db2.gz NEOIVIVLKBQNAP-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN C[C@@H](c1ccco1)N(CCOC(C)(C)C)C1CC1 ZINC000119140153 1125529834 /nfs/dbraw/zinc/52/98/34/1125529834.db2.gz QWTDNJZOOTXLAD-LBPRGKRZSA-N 0 1 251.370 3.620 20 0 CHADMN COc1nc2ccccc2cc1C[N@@H+](C)C[C@H]1CC1(C)C ZINC001137206924 1125536274 /nfs/dbraw/zinc/53/62/74/1125536274.db2.gz REJATVBZQPXSPS-OAHLLOKOSA-N 0 1 284.403 3.721 20 0 CHADMN c1coc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000120843343 1125552577 /nfs/dbraw/zinc/55/25/77/1125552577.db2.gz OUWKMYOIGUDJOB-RHSMWYFYSA-N 0 1 271.360 3.537 20 0 CHADMN CSc1ccc(Cl)cc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001238677160 1131230737 /nfs/dbraw/zinc/23/07/37/1131230737.db2.gz QEAMNVICGDRACA-HNNXBMFYSA-N 0 1 297.851 3.817 20 0 CHADMN CSc1ccc(Cl)cc1CN1CCC[C@]2(CCO2)C1 ZINC001238677160 1131230740 /nfs/dbraw/zinc/23/07/40/1131230740.db2.gz QEAMNVICGDRACA-HNNXBMFYSA-N 0 1 297.851 3.817 20 0 CHADMN COCCCC[C@@H](NCc1cnoc1C)c1ccccc1 ZINC000348320514 1125547097 /nfs/dbraw/zinc/54/70/97/1125547097.db2.gz NCCBBIOYIQIABR-QGZVFWFLSA-N 0 1 288.391 3.631 20 0 CHADMN C[C@H](c1cccc(Cl)c1)N1CCCO[C@H](C)C1 ZINC000245401031 1125571366 /nfs/dbraw/zinc/57/13/66/1125571366.db2.gz DEGPTCGBXYYILI-VXGBXAGGSA-N 0 1 253.773 3.512 20 0 CHADMN O=C(/C=C/Sc1ccccc1)Nc1nc2ccccc2[nH]1 ZINC000216043706 1125586502 /nfs/dbraw/zinc/58/65/02/1125586502.db2.gz MADMWEGYDAZHOR-ZHACJKMWSA-N 0 1 295.367 3.807 20 0 CHADMN CN(Cc1ccc2c(c1)CC(C)(C)O2)Cc1cccc(O)c1 ZINC000532934607 1125590578 /nfs/dbraw/zinc/59/05/78/1125590578.db2.gz JKWKNQQSEAUQNQ-UHFFFAOYSA-N 0 1 297.398 3.738 20 0 CHADMN CCn1nccc1CN1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000245772171 1125593790 /nfs/dbraw/zinc/59/37/90/1125593790.db2.gz RZLVJLZPJNZBLN-DYVFJYSZSA-N 0 1 287.382 3.625 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H](C)[C@H](C)C2)cs1 ZINC000245873609 1125597330 /nfs/dbraw/zinc/59/73/30/1125597330.db2.gz HFTWXRAQMFDVAS-VXGBXAGGSA-N 0 1 252.427 3.744 20 0 CHADMN C[C@@H]1C[C@@H](C)N1Cc1cc(Cl)cc2cccnc21 ZINC000548097442 1125597854 /nfs/dbraw/zinc/59/78/54/1125597854.db2.gz DYZYJNLCELWINO-GHMZBOCLSA-N 0 1 260.768 3.871 20 0 CHADMN C[C@H](NCCc1cccnc1)c1ncc(-c2ccccc2)o1 ZINC000348342825 1125598122 /nfs/dbraw/zinc/59/81/22/1125598122.db2.gz LZOVLNRADOYTAB-AWEZNQCLSA-N 0 1 293.370 3.630 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H]1CCc2c1nccc2Cl ZINC000925291041 1125605889 /nfs/dbraw/zinc/60/58/89/1125605889.db2.gz ARTLLPVCTIJTOD-IAQYHMDHSA-N 0 1 287.794 3.777 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N(C)CCOCC1CC1 ZINC000533482168 1125610887 /nfs/dbraw/zinc/61/08/87/1125610887.db2.gz CEHRLPAXIRNFBU-INIZCTEOSA-N 0 1 283.362 3.774 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1Cc1cnc(OC)c(Cl)c1 ZINC000533555412 1125615053 /nfs/dbraw/zinc/61/50/53/1125615053.db2.gz PFQZKGUENRLNRZ-GFCCVEGCSA-N 0 1 268.788 3.508 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cnc(OC)c(Cl)c1 ZINC000533555412 1125615057 /nfs/dbraw/zinc/61/50/57/1125615057.db2.gz PFQZKGUENRLNRZ-GFCCVEGCSA-N 0 1 268.788 3.508 20 0 CHADMN CN(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000533669065 1125621370 /nfs/dbraw/zinc/62/13/70/1125621370.db2.gz USVSJHXKAYKODP-FZMZJTMJSA-N 0 1 288.218 3.586 20 0 CHADMN CC(=O)c1ccc(F)c(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213075390 1125622296 /nfs/dbraw/zinc/62/22/96/1125622296.db2.gz RFEVIYUXSKHYNG-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN CC(=O)c1ccc(F)c(Nc2ccc3nc(C)[nH]c3c2)c1 ZINC001213075390 1125622298 /nfs/dbraw/zinc/62/22/98/1125622298.db2.gz RFEVIYUXSKHYNG-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN COc1ccc([C@H](NCc2cc(C)co2)C2CC2)cc1 ZINC000885907688 1125626052 /nfs/dbraw/zinc/62/60/52/1125626052.db2.gz GIPRLUFQLVKNRG-QGZVFWFLSA-N 0 1 271.360 3.838 20 0 CHADMN COc1cc(C)cc(CNCc2ccc(C)s2)c1OC ZINC000885923692 1125627324 /nfs/dbraw/zinc/62/73/24/1125627324.db2.gz AQCCKXWOFOYENC-UHFFFAOYSA-N 0 1 291.416 3.672 20 0 CHADMN Cc1n[nH]c(CNCc2oc3ccc(F)cc3c2C)c1C ZINC000885944993 1125628654 /nfs/dbraw/zinc/62/86/54/1125628654.db2.gz XKZZEHKLFVIUCT-UHFFFAOYSA-N 0 1 287.338 3.510 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H](C)c1ccnn1C1CCC1 ZINC000925293637 1125628856 /nfs/dbraw/zinc/62/88/56/1125628856.db2.gz MQHPCWXHOOPNQY-ZIAGYGMSSA-N 0 1 284.407 3.723 20 0 CHADMN Cc1coc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000885944141 1125629109 /nfs/dbraw/zinc/62/91/09/1125629109.db2.gz KSOKMTIYMZSRCQ-CQSZACIVSA-N 0 1 298.386 3.566 20 0 CHADMN Cc1cc(NC(=O)c2ccc(Cl)cc2O)ccc1F ZINC000110325528 1125629563 /nfs/dbraw/zinc/62/95/63/1125629563.db2.gz SPFLUIGHVMKLEC-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H](C)c1ccnn1C1CCC1 ZINC000925293631 1125629754 /nfs/dbraw/zinc/62/97/54/1125629754.db2.gz MQHPCWXHOOPNQY-KGLIPLIRSA-N 0 1 284.407 3.723 20 0 CHADMN Cc1csc([C@@H](C)NC/C=C/c2cccc(F)c2)n1 ZINC000885967136 1125631893 /nfs/dbraw/zinc/63/18/93/1125631893.db2.gz IHMIRDWESCDDRO-FVOPLDGLSA-N 0 1 276.380 3.955 20 0 CHADMN Cc1csc([C@H](C)NCc2cc(C)ccc2C)n1 ZINC000070939671 1125632014 /nfs/dbraw/zinc/63/20/14/1125632014.db2.gz RBQXLEANDQKWQZ-ZDUSSCGKSA-N 0 1 260.406 3.919 20 0 CHADMN Cc1ccc(CN(C)CCSc2ccccc2F)o1 ZINC000071805277 1125633639 /nfs/dbraw/zinc/63/36/39/1125633639.db2.gz KDSWJPIUYHNUIT-UHFFFAOYSA-N 0 1 279.380 3.951 20 0 CHADMN CCc1cnc(CNC/C=C\c2cccc(F)c2)s1 ZINC000886001524 1125634032 /nfs/dbraw/zinc/63/40/32/1125634032.db2.gz BTRUSVWTHBGGNU-XQRVVYSFSA-N 0 1 276.380 3.648 20 0 CHADMN CC[C@@H](NCc1n[nH]c(C)c1C)c1cc(F)ccc1F ZINC000885998041 1125634474 /nfs/dbraw/zinc/63/44/74/1125634474.db2.gz ZLZHJHAEYALBNY-CQSZACIVSA-N 0 1 279.334 3.546 20 0 CHADMN Cc1cnc([C@H](C)NC/C=C/c2cccc(F)c2)s1 ZINC000886011094 1125636904 /nfs/dbraw/zinc/63/69/04/1125636904.db2.gz VNVACFNRMUQTQV-FUEXJSSKSA-N 0 1 276.380 3.955 20 0 CHADMN Cc1n[nH]c(CN[C@H]2CC3(CCC3)Oc3ccccc32)c1C ZINC000886019545 1125637669 /nfs/dbraw/zinc/63/76/69/1125637669.db2.gz WRELFJSAADERTR-HNNXBMFYSA-N 0 1 297.402 3.563 20 0 CHADMN Cc1nc(-c2ccc(NCc3n[nH]c(C)c3C)cc2)oc1C ZINC000886030973 1125639512 /nfs/dbraw/zinc/63/95/12/1125639512.db2.gz YTCGCOPZYGUPMZ-UHFFFAOYSA-N 0 1 296.374 3.910 20 0 CHADMN CSCCc1ccc(NCc2n[nH]c(C)c2C)cc1 ZINC000886035783 1125639956 /nfs/dbraw/zinc/63/99/56/1125639956.db2.gz RAPGXZGLCOERPJ-UHFFFAOYSA-N 0 1 275.421 3.544 20 0 CHADMN Cc1[nH]nc(CNc2cc(-c3ncco3)ccc2C)c1C ZINC000886048968 1125641009 /nfs/dbraw/zinc/64/10/09/1125641009.db2.gz CACLCZSLXVYFRY-UHFFFAOYSA-N 0 1 282.347 3.602 20 0 CHADMN CCOc1ccc(NCc2n[nH]c(C)c2C)c2ncccc12 ZINC000886064826 1125643129 /nfs/dbraw/zinc/64/31/29/1125643129.db2.gz JIDXSWOWSJPZEN-UHFFFAOYSA-N 0 1 296.374 3.586 20 0 CHADMN CSc1c(F)cc(NCc2n[nH]c(C)c2C)cc1F ZINC000886060190 1125643338 /nfs/dbraw/zinc/64/33/38/1125643338.db2.gz XFZXSAFIXQQWHP-UHFFFAOYSA-N 0 1 283.347 3.639 20 0 CHADMN Cc1nc(C(C)(C)NCCSC(F)(F)F)sc1C ZINC000886073414 1125645047 /nfs/dbraw/zinc/64/50/47/1125645047.db2.gz VKMRPGUMYYXGMH-UHFFFAOYSA-N 0 1 298.399 3.838 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000246547823 1125645262 /nfs/dbraw/zinc/64/52/62/1125645262.db2.gz GRAYLAQIAAATFN-RDBSUJKOSA-N 0 1 292.423 3.534 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@@H](C(C)(C)C)CC2)o1 ZINC000246952821 1125651169 /nfs/dbraw/zinc/65/11/69/1125651169.db2.gz JKBKZVHMYZIPAY-WCQYABFASA-N 0 1 265.401 3.587 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccccc3)[C@@H](C)C2)oc1C ZINC000246620874 1125645881 /nfs/dbraw/zinc/64/58/81/1125645881.db2.gz HDTCNARZAPKHSW-SUMWQHHRSA-N 0 1 284.403 3.917 20 0 CHADMN CO[C@@H]1CCCN([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000246658330 1125647508 /nfs/dbraw/zinc/64/75/08/1125647508.db2.gz AFKTYYQXVXYKEU-DZGCQCFKSA-N 0 1 286.375 3.513 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1C[C@H](C)CC[C@H]1C ZINC000246813854 1125648867 /nfs/dbraw/zinc/64/88/67/1125648867.db2.gz ABGMHIXSJHNSKU-UKRRQHHQSA-N 0 1 288.435 3.616 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1Cc1nc([C@H](C)OCC)no1 ZINC000246821236 1125649198 /nfs/dbraw/zinc/64/91/98/1125649198.db2.gz JVQJIVMOEUGTDZ-MELADBBJSA-N 0 1 295.427 3.568 20 0 CHADMN CCCN(Cc1cscn1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000246886011 1125649572 /nfs/dbraw/zinc/64/95/72/1125649572.db2.gz BXNDCFKPWMQQNX-ZIAGYGMSSA-N 0 1 282.453 3.559 20 0 CHADMN CC(C)[C@H](NCC[C@@H]1C[C@H]1C1CC1)c1nc(C2CC2)no1 ZINC000886114687 1125651923 /nfs/dbraw/zinc/65/19/23/1125651923.db2.gz UWHJCLZADNFGOZ-ILXRZTDVSA-N 0 1 289.423 3.670 20 0 CHADMN CCCN(Cc1ccon1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000246971644 1125652047 /nfs/dbraw/zinc/65/20/47/1125652047.db2.gz LCRJCWNCUXVMNV-HZPDHXFCSA-N 0 1 292.423 3.624 20 0 CHADMN Cc1cnc(C(C)(C)NCCSC(F)(F)F)s1 ZINC000886130024 1125653918 /nfs/dbraw/zinc/65/39/18/1125653918.db2.gz STVWMFLYFIHOBY-UHFFFAOYSA-N 0 1 284.372 3.529 20 0 CHADMN CCc1nc([C@H](C)NC[C@@H]2CCC3(CCC3)CO2)cs1 ZINC000886129735 1125654414 /nfs/dbraw/zinc/65/44/14/1125654414.db2.gz MHLYXHIDBGJZHL-STQMWFEESA-N 0 1 294.464 3.705 20 0 CHADMN Cc1[nH]nc(CNc2ccc3c(c2)C=CCCC3)c1C ZINC000886162307 1125657344 /nfs/dbraw/zinc/65/73/44/1125657344.db2.gz MIZSNXOTVWISIB-UHFFFAOYSA-N 0 1 267.376 3.988 20 0 CHADMN CCC[C@@]1(C)CCCN([C@H](C)c2nc(CC)no2)C1 ZINC000247541164 1125658076 /nfs/dbraw/zinc/65/80/76/1125658076.db2.gz PCUBLGBBXKDLTA-DOMZBBRYSA-N 0 1 265.401 3.595 20 0 CHADMN CCc1nc(CN(C[C@H]2CCCO2)C2CCCC2)cs1 ZINC000075831778 1125658090 /nfs/dbraw/zinc/65/80/90/1125658090.db2.gz VMUGIFJVOPWYES-OAHLLOKOSA-N 0 1 294.464 3.629 20 0 CHADMN COc1ccc(C(C)(C)NCc2cc(C)co2)cc1F ZINC000886170418 1125658670 /nfs/dbraw/zinc/65/86/70/1125658670.db2.gz YIFIKPPMKVHYEN-UHFFFAOYSA-N 0 1 277.339 3.761 20 0 CHADMN Cc1[nH]nc(CNc2ccc(F)c(C(F)F)c2)c1C ZINC000886176796 1125659025 /nfs/dbraw/zinc/65/90/25/1125659025.db2.gz LIHGOTCMRRJUQN-UHFFFAOYSA-N 0 1 269.270 3.715 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2F)N(Cc2cccnc2)C1 ZINC000075900208 1125660790 /nfs/dbraw/zinc/66/07/90/1125660790.db2.gz XRYCKAUYQJLFGN-GUYCJALGSA-N 0 1 270.351 3.804 20 0 CHADMN CCCCN(C)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000248206830 1125663159 /nfs/dbraw/zinc/66/31/59/1125663159.db2.gz BINMMIHDNYSESV-GFCCVEGCSA-N 0 1 259.353 3.530 20 0 CHADMN CC(C)[C@H](CN[C@@H](C)c1ncco1)c1ccccc1 ZINC000886272612 1125665104 /nfs/dbraw/zinc/66/51/04/1125665104.db2.gz VZAYOBFXDCKTFJ-ZFWWWQNUSA-N 0 1 258.365 3.765 20 0 CHADMN C[C@H](N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1ncco1 ZINC000886274353 1125665162 /nfs/dbraw/zinc/66/51/62/1125665162.db2.gz RDDVXILQBIUMPB-CORIIIEPSA-N 0 1 274.339 3.801 20 0 CHADMN C/C(=C\c1ccccc1)CNCc1cc(C2CC2)no1 ZINC000886272483 1125665289 /nfs/dbraw/zinc/66/52/89/1125665289.db2.gz QSTKMZRXCKNBNP-UKTHLTGXSA-N 0 1 268.360 3.745 20 0 CHADMN C/C(=C/c1ccccc1)CNCc1cc(C2CC2)no1 ZINC000886272482 1125665456 /nfs/dbraw/zinc/66/54/56/1125665456.db2.gz QSTKMZRXCKNBNP-LCYFTJDESA-N 0 1 268.360 3.745 20 0 CHADMN FC(F)(F)SCCN1[C@@H]2CC[C@H]1CC(F)(F)C2 ZINC000886297058 1125666868 /nfs/dbraw/zinc/66/68/68/1125666868.db2.gz IERVPFTVTBIRET-OCAPTIKFSA-N 0 1 275.286 3.502 20 0 CHADMN Cc1oncc1CN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000248547773 1125667205 /nfs/dbraw/zinc/66/72/05/1125667205.db2.gz FGSUCDFBMKLJTD-FZMZJTMJSA-N 0 1 260.337 3.549 20 0 CHADMN C[C@H]1CCCN1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000076114526 1125668679 /nfs/dbraw/zinc/66/86/79/1125668679.db2.gz RZNXIVPIYYLNLW-JTQLQIEISA-N 0 1 278.302 3.604 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2nccn2Cc2ccccc2)C1 ZINC000076182768 1125670040 /nfs/dbraw/zinc/67/00/40/1125670040.db2.gz SHFMZJLQDIEJOL-CVEARBPZSA-N 0 1 283.419 3.552 20 0 CHADMN CC(C)(C)n1cc(CN[C@@H]2CCc3c2cccc3F)cn1 ZINC000886363848 1125672544 /nfs/dbraw/zinc/67/25/44/1125672544.db2.gz FUWITOJGQYDUNX-MRXNPFEDSA-N 0 1 287.382 3.554 20 0 CHADMN CN(Cc1cccc(F)c1)Cc1cc(Cl)ccc1N ZINC000093631751 1125672766 /nfs/dbraw/zinc/67/27/66/1125672766.db2.gz OLUHDZYHQYPPMY-UHFFFAOYSA-N 0 1 278.758 3.693 20 0 CHADMN Nc1ccc(Cl)cc1CN1CCC[C@H]1c1ccncc1 ZINC000093631796 1125673499 /nfs/dbraw/zinc/67/34/99/1125673499.db2.gz HOCZEZWPQKJRPS-INIZCTEOSA-N 0 1 287.794 3.654 20 0 CHADMN Cc1ccccc1[C@H]1C[C@H](C)N(Cc2nc(C3CC3)no2)C1 ZINC000076386177 1125678760 /nfs/dbraw/zinc/67/87/60/1125678760.db2.gz WYHAJNUZJNBOTN-ZFWWWQNUSA-N 0 1 297.402 3.633 20 0 CHADMN Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2nc(C3CC3)no2)C1 ZINC000076386186 1125678859 /nfs/dbraw/zinc/67/88/59/1125678859.db2.gz WYHAJNUZJNBOTN-HIFRSBDPSA-N 0 1 297.402 3.633 20 0 CHADMN Cc1ncc([C@H](C)[N@H+]2CCC[C@H]2c2ccco2)c(C)n1 ZINC000638069083 1129241757 /nfs/dbraw/zinc/24/17/57/1129241757.db2.gz ZTFSONLJPDRLJJ-WFASDCNBSA-N 0 1 271.364 3.585 20 0 CHADMN Cc1ncc([C@H](C)N2CCC[C@H]2c2ccco2)c(C)n1 ZINC000638069083 1129241759 /nfs/dbraw/zinc/24/17/59/1129241759.db2.gz ZTFSONLJPDRLJJ-WFASDCNBSA-N 0 1 271.364 3.585 20 0 CHADMN CC(C)Oc1cccc(CN[C@H]2CCc3cccnc32)c1 ZINC000886506217 1125681532 /nfs/dbraw/zinc/68/15/32/1125681532.db2.gz HJXGDPDZZKRGEJ-KRWDZBQOSA-N 0 1 282.387 3.646 20 0 CHADMN C[C@H]1CN(Cc2cccs2)C[C@@H](c2ccccc2)O1 ZINC000249947182 1125682468 /nfs/dbraw/zinc/68/24/68/1125682468.db2.gz ZDYYVBSXIAZAFH-BBRMVZONSA-N 0 1 273.401 3.710 20 0 CHADMN COc1ccccc1[C@H](C)NCc1csc(C)c1 ZINC000292802494 1125689282 /nfs/dbraw/zinc/68/92/82/1125689282.db2.gz WLQPZACIVWJBSS-LBPRGKRZSA-N 0 1 261.390 3.916 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)[C@H]2c2ccccc2)no1 ZINC000886540998 1125686790 /nfs/dbraw/zinc/68/67/90/1125686790.db2.gz OHKFUGRKFNQVJJ-WBMJQRKESA-N 0 1 256.349 3.566 20 0 CHADMN Cc1ccsc1[C@@H](Cc1ccccc1)NCc1ncc[nH]1 ZINC000076904036 1125687523 /nfs/dbraw/zinc/68/75/23/1125687523.db2.gz NHCLEYPEZYWJPQ-OAHLLOKOSA-N 0 1 297.427 3.853 20 0 CHADMN Cc1cc(CN2CC[C@H](C)[C@@H]2c2ccccc2)no1 ZINC000886540995 1125687682 /nfs/dbraw/zinc/68/76/82/1125687682.db2.gz OHKFUGRKFNQVJJ-BLLLJJGKSA-N 0 1 256.349 3.566 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCc3cccnc32)ccc1F ZINC000886550285 1125690630 /nfs/dbraw/zinc/69/06/30/1125690630.db2.gz WUUNJWXGYUMSKQ-WBMJQRKESA-N 0 1 270.351 3.867 20 0 CHADMN CO[C@H]1CCC[C@@H](Nc2ccc3c(c2)nc(C)n3C)CC1 ZINC000886585853 1125694175 /nfs/dbraw/zinc/69/41/75/1125694175.db2.gz GVUIMIXZLFZURX-HIFRSBDPSA-N 0 1 287.407 3.641 20 0 CHADMN OCCC[C@H](NCc1ccccc1Cl)c1ccccc1 ZINC000077467686 1125696299 /nfs/dbraw/zinc/69/62/99/1125696299.db2.gz IFJWVEKMIAWWNE-KRWDZBQOSA-N 0 1 289.806 3.943 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@@H]1CCc3cccnc31)CCC2 ZINC000886605021 1125696614 /nfs/dbraw/zinc/69/66/14/1125696614.db2.gz ICIVVCJXWIQHPR-IAGOWNOFSA-N 0 1 282.362 3.875 20 0 CHADMN Fc1cccc2c1CCC[C@H]2N[C@@H]1CCc2cccnc21 ZINC000886615650 1125698743 /nfs/dbraw/zinc/69/87/43/1125698743.db2.gz KUMQMMLAGPLJBH-IAGOWNOFSA-N 0 1 282.362 3.875 20 0 CHADMN Cc1ccc2oc(CN[C@@H](c3cnn(C)c3)C(C)C)cc2c1 ZINC000886638135 1125701434 /nfs/dbraw/zinc/70/14/34/1125701434.db2.gz MUBWJOBFCAPJNQ-GOSISDBHSA-N 0 1 297.402 3.962 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1CCC[C@H](C)C1 ZINC000251925316 1125701540 /nfs/dbraw/zinc/70/15/40/1125701540.db2.gz CGLRXCOQXSOGAS-NSHDSACASA-N 0 1 276.405 3.943 20 0 CHADMN Clc1ccsc1CN1CCC[C@@H](c2ncccn2)C1 ZINC000886686726 1125708989 /nfs/dbraw/zinc/70/89/89/1125708989.db2.gz WGNWRTWLBMVQGF-LLVKDONJSA-N 0 1 293.823 3.571 20 0 CHADMN CCOCc1ccccc1CNCc1ccccc1OC ZINC000037500938 1125710953 /nfs/dbraw/zinc/71/09/53/1125710953.db2.gz GOAMRFAZRVAFDA-UHFFFAOYSA-N 0 1 285.387 3.522 20 0 CHADMN C[C@@H](NC[C@@H]1CCC2(CCC2)CO1)c1cccnc1Cl ZINC000886730444 1125713748 /nfs/dbraw/zinc/71/37/48/1125713748.db2.gz COCLGNZIWJKNOQ-OLZOCXBDSA-N 0 1 294.826 3.735 20 0 CHADMN C[C@H](c1nnc(-c2ccccc2)o1)N1CCC[C@@H](C)C1 ZINC000253601675 1125718944 /nfs/dbraw/zinc/71/89/44/1125718944.db2.gz CYQBZSHDYFSHPS-CHWSQXEVSA-N 0 1 271.364 3.530 20 0 CHADMN O=C([O-])CC[C@H]1CCCC[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000336819505 1129243924 /nfs/dbraw/zinc/24/39/24/1129243924.db2.gz AIZFXQRQXSFNJQ-QWHCGFSZSA-N 0 1 289.366 3.531 20 0 CHADMN CC[C@H](N[C@@H](C)c1nncn1C)c1cccc2ccccc21 ZINC000886919854 1125724109 /nfs/dbraw/zinc/72/41/09/1125724109.db2.gz YHPMGOFVTSYDHS-GUYCJALGSA-N 0 1 294.402 3.770 20 0 CHADMN CC(C)(C)c1nnc(Nc2cc(Cl)nc(Cl)c2)o1 ZINC001212087108 1125728042 /nfs/dbraw/zinc/72/80/42/1125728042.db2.gz BKQMIOFDPMCHKU-UHFFFAOYSA-N 0 1 287.150 3.813 20 0 CHADMN COc1ccccc1[C@H](N[C@H](C)C1CC1)c1ccco1 ZINC000090534625 1125742894 /nfs/dbraw/zinc/74/28/94/1125742894.db2.gz MGDPRVPMYBUHLZ-PXAZEXFGSA-N 0 1 271.360 3.766 20 0 CHADMN Nc1ncc(CN(Cc2ccc(Cl)cc2)C2CC2)s1 ZINC000261772893 1125742879 /nfs/dbraw/zinc/74/28/79/1125742879.db2.gz MYXGKIFSECCTKO-UHFFFAOYSA-N 0 1 293.823 3.543 20 0 CHADMN CC(C)[C@H](c1nc(C2(N)CCCC2)no1)c1ccccc1 ZINC000261833337 1125744354 /nfs/dbraw/zinc/74/43/54/1125744354.db2.gz RKQMJHLZRAXKBD-AWEZNQCLSA-N 0 1 285.391 3.586 20 0 CHADMN CCC(CC)(c1nc(C2(N)CCCC2)no1)c1ccccc1 ZINC000261814290 1125745077 /nfs/dbraw/zinc/74/50/77/1125745077.db2.gz QBVFEYUNJBHYFY-UHFFFAOYSA-N 0 1 299.418 3.904 20 0 CHADMN COCCCOc1cccc(CN[C@@H](C)c2ccco2)c1 ZINC000090719016 1125745666 /nfs/dbraw/zinc/74/56/66/1125745666.db2.gz JBJFCRRIXPLDQM-AWEZNQCLSA-N 0 1 289.375 3.546 20 0 CHADMN Cc1c(CN[C@@H](C)c2ccc(-c3ccccc3)o2)cnn1C ZINC000090887712 1125746806 /nfs/dbraw/zinc/74/68/06/1125746806.db2.gz NHUJEVOQNROMJK-ZDUSSCGKSA-N 0 1 295.386 3.839 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(C)CCCF ZINC000887137286 1125752312 /nfs/dbraw/zinc/75/23/12/1125752312.db2.gz BEGJFQRBDFHUQI-CQSZACIVSA-N 0 1 294.414 3.737 20 0 CHADMN CC[C@H](CSC)N(C)Cc1coc(-c2ccccc2)n1 ZINC000091098131 1125748106 /nfs/dbraw/zinc/74/81/06/1125748106.db2.gz AYSGAMCNKDMRKB-OAHLLOKOSA-N 0 1 290.432 3.915 20 0 CHADMN CC[C@H](CSC)N(C)Cc1coc(-c2cccs2)n1 ZINC000091099289 1125748997 /nfs/dbraw/zinc/74/89/97/1125748997.db2.gz TXOLCUCCFUBKEN-GFCCVEGCSA-N 0 1 296.461 3.977 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(C)CCCF ZINC000887137285 1125751462 /nfs/dbraw/zinc/75/14/62/1125751462.db2.gz BEGJFQRBDFHUQI-AWEZNQCLSA-N 0 1 294.414 3.737 20 0 CHADMN CC[C@H](C)N(C)Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000179322914 1125753745 /nfs/dbraw/zinc/75/37/45/1125753745.db2.gz QIOOINZGMXHDDT-NSHDSACASA-N 0 1 294.830 3.896 20 0 CHADMN C[C@@H](NC1(C2CC2)CCC1)c1nc(-c2ccccc2)no1 ZINC000887144846 1125754053 /nfs/dbraw/zinc/75/40/53/1125754053.db2.gz BYWMRZNTPVCUKA-GFCCVEGCSA-N 0 1 283.375 3.720 20 0 CHADMN CC(=O)Nc1ccc(CN([C@H](C)c2ccco2)C2CC2)cc1 ZINC000092483663 1125758644 /nfs/dbraw/zinc/75/86/44/1125758644.db2.gz FMUYGKFGRJMEAR-CYBMUJFWSA-N 0 1 298.386 3.964 20 0 CHADMN FC(F)(F)[C@H]1CCCN(Cc2scnc2C2CC2)C1 ZINC000343677955 1125762725 /nfs/dbraw/zinc/76/27/25/1125762725.db2.gz MMNVHKWSQDVTNU-JTQLQIEISA-N 0 1 290.354 3.795 20 0 CHADMN CO[C@@H](C)CN(C)c1ccnc2cc(C(F)(F)F)ccc21 ZINC000343800891 1125766614 /nfs/dbraw/zinc/76/66/14/1125766614.db2.gz CJGLJZAYUOWQPA-JTQLQIEISA-N 0 1 298.308 3.725 20 0 CHADMN Cc1cccc(OC[C@@H](C)N[C@@H](C)c2nccs2)c1 ZINC000093400161 1125768118 /nfs/dbraw/zinc/76/81/18/1125768118.db2.gz DZKCMXKZLDFDAQ-OLZOCXBDSA-N 0 1 276.405 3.570 20 0 CHADMN Cc1cccc(OC[C@@H](C)N[C@H](C)c2nccs2)c1 ZINC000093400163 1125768491 /nfs/dbraw/zinc/76/84/91/1125768491.db2.gz DZKCMXKZLDFDAQ-CHWSQXEVSA-N 0 1 276.405 3.570 20 0 CHADMN Cc1ccc(SCCN[C@H](C)c2nccs2)cc1 ZINC000093370283 1125769128 /nfs/dbraw/zinc/76/91/28/1125769128.db2.gz QCAQBLZXXDQZAR-GFCCVEGCSA-N 0 1 278.446 3.894 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccc(CO)o2)o1 ZINC000093870752 1125774588 /nfs/dbraw/zinc/77/45/88/1125774588.db2.gz DVZSCNVMQHRFRS-WBMJQRKESA-N 0 1 289.375 3.647 20 0 CHADMN COCc1ccccc1CN[C@@H](C)c1cccnc1Cl ZINC000122046824 1125782184 /nfs/dbraw/zinc/78/21/84/1125782184.db2.gz DIVBWKUIEBYSPU-LBPRGKRZSA-N 0 1 290.794 3.732 20 0 CHADMN O=C(c1cccc2[nH]c(C(F)F)nc21)N1CCCCCC1 ZINC000929099361 1125782498 /nfs/dbraw/zinc/78/24/98/1125782498.db2.gz GPBSVXVSPOIBCT-UHFFFAOYSA-N 0 1 293.317 3.517 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ccccc2COC)o1 ZINC000122126707 1125783514 /nfs/dbraw/zinc/78/35/14/1125783514.db2.gz OKRNTOXNJSGTTB-CYBMUJFWSA-N 0 1 273.376 3.839 20 0 CHADMN C[C@H]1OC2(CCN(Cc3ccc[nH]3)CC2)c2ccccc21 ZINC001204013399 1125784336 /nfs/dbraw/zinc/78/43/36/1125784336.db2.gz PLMMQDCNTWUMTI-CQSZACIVSA-N 0 1 282.387 3.597 20 0 CHADMN Cc1n[nH]c(C)c1CN(C)Cc1cccc(C(F)(F)F)c1 ZINC000122490106 1125787516 /nfs/dbraw/zinc/78/75/16/1125787516.db2.gz NXTBEGCONRXNEA-UHFFFAOYSA-N 0 1 297.324 3.677 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cnc3ccccc3c2)o1 ZINC000336826728 1129245616 /nfs/dbraw/zinc/24/56/16/1129245616.db2.gz UIDMATUPJIJSEY-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](c2nnc[nH]2)C2CCCCC2)o1 ZINC000638286874 1129252938 /nfs/dbraw/zinc/25/29/38/1129252938.db2.gz RUGPDODCDNNHNV-WFASDCNBSA-N 0 1 288.395 3.678 20 0 CHADMN CC(C)(C)c1ccc(-c2ccc3cncn3c2)nc1 ZINC001245898037 1131233543 /nfs/dbraw/zinc/23/35/43/1131233543.db2.gz MKMUDGJEGOXHPM-UHFFFAOYSA-N 0 1 251.333 3.694 20 0 CHADMN C[C@@H](NCc1coc(-c2cccs2)n1)[C@H]1CC1(F)F ZINC000638433094 1129258680 /nfs/dbraw/zinc/25/86/80/1129258680.db2.gz WEACELJQODYXLS-PSASIEDQSA-N 0 1 284.331 3.536 20 0 CHADMN C[N@@H+](CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1)C(C)(C)C ZINC000639698210 1129330038 /nfs/dbraw/zinc/33/00/38/1129330038.db2.gz NEAACLPUXUNRCL-PHIMTYICSA-N 0 1 279.346 3.655 20 0 CHADMN CCCCC[C@@H](CC)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795511658 1129345499 /nfs/dbraw/zinc/34/54/99/1129345499.db2.gz QWZSZWRNDRVRPT-GFCCVEGCSA-N 0 1 281.400 3.578 20 0 CHADMN CC[C@@H](C(=O)OCc1ccc(Cl)cc1)N(CC)CC ZINC000735991246 1129364617 /nfs/dbraw/zinc/36/46/17/1129364617.db2.gz WRXOJWVKQSAHLL-AWEZNQCLSA-N 0 1 283.799 3.504 20 0 CHADMN Cc1nccnc1CN([C@@H](C)c1ccccc1)C1CC1 ZINC000621711445 1129182650 /nfs/dbraw/zinc/18/26/50/1129182650.db2.gz UKTNQZGPZCNJSK-AWEZNQCLSA-N 0 1 267.376 3.511 20 0 CHADMN CCC(CC)CCCN(C)C(=O)c1cc(C(F)F)[nH]n1 ZINC000640709873 1129365293 /nfs/dbraw/zinc/36/52/93/1129365293.db2.gz LMNKDMLXJYRLKT-UHFFFAOYSA-N 0 1 287.354 3.636 20 0 CHADMN Cn1cccc1C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093584619 1129425864 /nfs/dbraw/zinc/42/58/64/1129425864.db2.gz BYKVKMQJAORFGH-UHFFFAOYSA-N 0 1 299.201 3.670 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)N[C@@H](C)c1ccccc1Cl ZINC000179951879 1129438173 /nfs/dbraw/zinc/43/81/73/1129438173.db2.gz JLXUDPIZYDMCHM-VHSXEESVSA-N 0 1 263.772 3.783 20 0 CHADMN CCC(CC)[C@@H](CC[NH2+]Cc1cccc([O-])c1Cl)OC ZINC000645169390 1129489970 /nfs/dbraw/zinc/48/99/70/1129489970.db2.gz BRYMAKKTLORPFL-OAHLLOKOSA-N 0 1 299.842 3.977 20 0 CHADMN CC1(c2ccccc2)CN(Cc2scnc2C2CC2)C1 ZINC000621735434 1129188512 /nfs/dbraw/zinc/18/85/12/1129188512.db2.gz JCFJMYPNTAJSNJ-UHFFFAOYSA-N 0 1 284.428 3.794 20 0 CHADMN CC(C)c1nnc(CN2CCCC[C@@H]2C2CCC2)s1 ZINC000646140134 1129526551 /nfs/dbraw/zinc/52/65/51/1129526551.db2.gz VZWNPDINCNGQND-CYBMUJFWSA-N 0 1 279.453 3.816 20 0 CHADMN CSc1ncc(C)cc1CN1CCc2cc(C)ccc2C1 ZINC001238718757 1131236807 /nfs/dbraw/zinc/23/68/07/1131236807.db2.gz GOZJZGMCKKLMFQ-UHFFFAOYSA-N 0 1 298.455 3.979 20 0 CHADMN CC(C)[C@@H]1CCCC[C@@H]1NCc1nnc(C(C)(C)C)o1 ZINC000771790320 1129989384 /nfs/dbraw/zinc/98/93/84/1129989384.db2.gz ADAOSOUUGUGMDW-STQMWFEESA-N 0 1 279.428 3.672 20 0 CHADMN Clc1cc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)ccn1 ZINC000226103620 1130000491 /nfs/dbraw/zinc/00/04/91/1130000491.db2.gz HHRDVCBROZZDFM-ZIAGYGMSSA-N 0 1 264.800 3.890 20 0 CHADMN CO[C@H](CSCc1[nH]ncc1C)C1CCCCC1 ZINC000902424587 1130010043 /nfs/dbraw/zinc/01/00/43/1130010043.db2.gz VYJRXQJHORRAIC-CQSZACIVSA-N 0 1 268.426 3.547 20 0 CHADMN CCC[C@@H](NCc1cnn(CCF)c1)c1ccsc1 ZINC000903274798 1130142374 /nfs/dbraw/zinc/14/23/74/1130142374.db2.gz SRELTBAWCRFSDX-CQSZACIVSA-N 0 1 281.400 3.545 20 0 CHADMN C[C@H](NCCC1CCC(F)(F)CC1)c1ncco1 ZINC000903343688 1130163064 /nfs/dbraw/zinc/16/30/64/1130163064.db2.gz BCMKACWCVYISHS-JTQLQIEISA-N 0 1 258.312 3.541 20 0 CHADMN CCC[N@@H+](CC1CCCCC1)[C@@H](C(=O)[O-])[C@@H](C)CC ZINC000903595028 1130183214 /nfs/dbraw/zinc/18/32/14/1130183214.db2.gz IPZLMSNAODBJPT-DZGCQCFKSA-N 0 1 269.429 3.778 20 0 CHADMN CC1CCC(C[N@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)CC1 ZINC000903953277 1130213414 /nfs/dbraw/zinc/21/34/14/1130213414.db2.gz QFCQUWOWBLWBAG-DJLZBCMNSA-N 0 1 281.440 3.632 20 0 CHADMN CC(C)(C)c1ccc(NC(=O)c2ccc3cncn3c2)cc1 ZINC000555844556 1126704028 /nfs/dbraw/zinc/70/40/28/1126704028.db2.gz PGUXHHBFUJMHFG-UHFFFAOYSA-N 0 1 293.370 3.884 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(F)cc1 ZINC000481742834 1126711277 /nfs/dbraw/zinc/71/12/77/1126711277.db2.gz WVNMNNXEJTWYGN-MFKMUULPSA-N 0 1 275.289 3.989 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccccc1F ZINC000481754397 1126713061 /nfs/dbraw/zinc/71/30/61/1126713061.db2.gz WRRIACOHEMYHCD-PWSUYJOCSA-N 0 1 275.289 3.989 20 0 CHADMN CC(C)(C)OCc1cc(CN[C@@H]2CC[C@H]2C2CCC2)no1 ZINC000338030122 1126713256 /nfs/dbraw/zinc/71/32/56/1126713256.db2.gz RAQRDIMCSZUQAW-JKSUJKDBSA-N 0 1 292.423 3.658 20 0 CHADMN CSC[C@H]1CCCN1Cc1coc(-c2ccccc2)n1 ZINC000135479581 1126718301 /nfs/dbraw/zinc/71/83/01/1126718301.db2.gz PKLFZGUWASAIFN-OAHLLOKOSA-N 0 1 288.416 3.669 20 0 CHADMN CCCOc1ccc([C@@H](C)NCc2ccnn2CC)cc1 ZINC000338141355 1126720652 /nfs/dbraw/zinc/72/06/52/1126720652.db2.gz GNUUMGFAHRGSFT-CQSZACIVSA-N 0 1 287.407 3.543 20 0 CHADMN CCS[C@H]1CCC[C@H]1NCc1nc2cc(F)ccc2o1 ZINC000348468763 1126722296 /nfs/dbraw/zinc/72/22/96/1126722296.db2.gz KZMKDRSVTWJWNE-RISCZKNCSA-N 0 1 294.395 3.731 20 0 CHADMN CCS[C@H]1CCC[C@@H]1NCc1nc2ccc(F)cc2o1 ZINC000348471600 1126725536 /nfs/dbraw/zinc/72/55/36/1126725536.db2.gz VEKZVFOSRZCGAR-JSGCOSHPSA-N 0 1 294.395 3.731 20 0 CHADMN CCS[C@@H]1CCC[C@@H]1NCc1nc2ccc(F)cc2o1 ZINC000348471598 1126725584 /nfs/dbraw/zinc/72/55/84/1126725584.db2.gz VEKZVFOSRZCGAR-GXTWGEPZSA-N 0 1 294.395 3.731 20 0 CHADMN CC(C)(C)n1ncnc1CN1CCC2(CCCCC2)CC1 ZINC000338234669 1126726499 /nfs/dbraw/zinc/72/64/99/1126726499.db2.gz APCQBFZGVDLWAX-UHFFFAOYSA-N 0 1 290.455 3.579 20 0 CHADMN CO[C@@H](CN(C)Cc1ccoc1)c1ccc(Cl)cc1 ZINC000338240195 1126726521 /nfs/dbraw/zinc/72/65/21/1126726521.db2.gz SPUYXZDZHJUBTF-HNNXBMFYSA-N 0 1 279.767 3.753 20 0 CHADMN CCCCO[C@@H]1C[C@@H](NC/C(Cl)=C\Cl)C1(C)C ZINC001170120263 1130276991 /nfs/dbraw/zinc/27/69/91/1130276991.db2.gz ZXYNAZIIJLHIBA-BXAYLQTHSA-N 0 1 280.239 3.879 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1ncnn1C(C)(C)C ZINC000338278776 1126730599 /nfs/dbraw/zinc/73/05/99/1126730599.db2.gz OOVSHLUJYBDMEA-CQSZACIVSA-N 0 1 278.444 3.578 20 0 CHADMN COCc1ccc([C@@H]2CCCN2Cc2cccs2)o1 ZINC000137070316 1126733783 /nfs/dbraw/zinc/73/37/83/1126733783.db2.gz XQQBIPVKFHOGPX-AWEZNQCLSA-N 0 1 277.389 3.825 20 0 CHADMN COc1ccc(CN[C@H](C)c2c(C)cccc2C)nc1 ZINC000338317105 1126733967 /nfs/dbraw/zinc/73/39/67/1126733967.db2.gz IUDSBIWDKQIYJJ-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1cc(CN2CCCC[C@@H]2c2n[nH]c(C)n2)c(C)s1 ZINC000338334470 1126734954 /nfs/dbraw/zinc/73/49/54/1126734954.db2.gz VUMSRELPRDCKIU-CQSZACIVSA-N 0 1 290.436 3.519 20 0 CHADMN Cc1nnc([C@H]2CCCCN2CCCCc2ccccc2)[nH]1 ZINC000338323348 1126735147 /nfs/dbraw/zinc/73/51/47/1126735147.db2.gz AKUNNOANGBZPAE-QGZVFWFLSA-N 0 1 298.434 3.663 20 0 CHADMN C[C@@H](NCc1cc(F)cc2cccnc21)c1ccncc1F ZINC000338353375 1126737070 /nfs/dbraw/zinc/73/70/70/1126737070.db2.gz HJAMTHFJFJPNOM-LLVKDONJSA-N 0 1 299.324 3.759 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1C(=O)c1cccc2n[nH]cc21 ZINC000348486364 1126740835 /nfs/dbraw/zinc/74/08/35/1126740835.db2.gz YMNGVISSAYJUKA-BLLLJJGKSA-N 0 1 285.391 3.604 20 0 CHADMN C=Cn1cc(CN(C)C/C(C)=C/c2ccccc2)cn1 ZINC000567888263 1126742066 /nfs/dbraw/zinc/74/20/66/1126742066.db2.gz QZTYWCHJKDBSRI-XNTDXEJSSA-N 0 1 267.376 3.519 20 0 CHADMN FC(F)[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000677732400 1130326132 /nfs/dbraw/zinc/32/61/32/1130326132.db2.gz NGWWTEGLEOFPEI-JTQLQIEISA-N 0 1 279.252 3.792 20 0 CHADMN Cc1cscc1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000151203644 1126751386 /nfs/dbraw/zinc/75/13/86/1126751386.db2.gz AAZRAEUKMHPCKG-AWEZNQCLSA-N 0 1 280.437 3.506 20 0 CHADMN C=Cn1cc(CN[C@H](C)c2ccc(C(F)(F)F)cc2)cn1 ZINC000194347989 1126759090 /nfs/dbraw/zinc/75/90/90/1126759090.db2.gz JBSQQRTVPWIEJW-LLVKDONJSA-N 0 1 295.308 3.853 20 0 CHADMN C=Cn1cc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)cn1 ZINC000194347624 1126759111 /nfs/dbraw/zinc/75/91/11/1126759111.db2.gz UMYBVBRXGNOHPE-NSHDSACASA-N 0 1 295.308 3.853 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccc(Cl)cc2)nc(C)n1 ZINC000659820841 1126759201 /nfs/dbraw/zinc/75/92/01/1126759201.db2.gz JBLNWYLVNOQFRL-LBPRGKRZSA-N 0 1 289.810 3.940 20 0 CHADMN CC[C@]1(C)COCCN1Cc1cccc(-c2ccccn2)c1 ZINC000482522373 1126764108 /nfs/dbraw/zinc/76/41/08/1126764108.db2.gz IPUWDUWDPJUJIQ-LJQANCHMSA-N 0 1 296.414 3.750 20 0 CHADMN C[C@@H](NC[C@H]1CCCCO1)c1ncc(-c2ccccc2)o1 ZINC000174003040 1126764951 /nfs/dbraw/zinc/76/49/51/1126764951.db2.gz FGFKEGAOFFKSGG-UKRRQHHQSA-N 0 1 286.375 3.561 20 0 CHADMN C(C1CCC1)N1CC[N@H+](CC2CCC2)C2(CCCCC2)C1 ZINC000483096937 1126766640 /nfs/dbraw/zinc/76/66/40/1126766640.db2.gz GGDXOGVGVDDBPH-UHFFFAOYSA-N 0 1 290.495 3.907 20 0 CHADMN CC[C@](C)(NCc1ccccc1)c1nc(C)cs1 ZINC000174500150 1126770760 /nfs/dbraw/zinc/77/07/60/1126770760.db2.gz FPDGFECXLVSHDM-HNNXBMFYSA-N 0 1 260.406 3.867 20 0 CHADMN CC[C@H](C)CN(CC)Cc1csc(N(C)C2CC2)n1 ZINC000483223231 1126773397 /nfs/dbraw/zinc/77/33/97/1126773397.db2.gz DCOHKCGLMHVNAA-LBPRGKRZSA-N 0 1 281.469 3.610 20 0 CHADMN CCc1nnc(S[C@@H](C)Cc2ccc3ccccc3n2)[nH]1 ZINC000175246819 1126779674 /nfs/dbraw/zinc/77/96/74/1126779674.db2.gz ZZNNNRZIEBYEKC-NSHDSACASA-N 0 1 298.415 3.639 20 0 CHADMN CCc1n[nH]c(S[C@@H](C)Cc2ccc3ccccc3n2)n1 ZINC000175246819 1126779676 /nfs/dbraw/zinc/77/96/76/1126779676.db2.gz ZZNNNRZIEBYEKC-NSHDSACASA-N 0 1 298.415 3.639 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2CC[C@@H](C)[C@H](C)C2)no1 ZINC000483306317 1126780050 /nfs/dbraw/zinc/78/00/50/1126780050.db2.gz HLUBEBFNMPWNDD-BPLDGKMQSA-N 0 1 299.418 3.959 20 0 CHADMN CC1=CC[N@@H+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000483264100 1126775984 /nfs/dbraw/zinc/77/59/84/1126775984.db2.gz VADPTWYWSLENMH-UHFFFAOYSA-N 0 1 257.377 3.627 20 0 CHADMN CN(Cc1nccn1C(F)F)C[C@H]1CCCCC1(C)C ZINC000659837107 1126784326 /nfs/dbraw/zinc/78/43/26/1126784326.db2.gz DCUWGSIPXYPCGA-GFCCVEGCSA-N 0 1 285.382 3.926 20 0 CHADMN C[C@@H]1CC[C@H](C)N(Cc2nc3c(s2)CCCC3)C1 ZINC000678993247 1130479984 /nfs/dbraw/zinc/47/99/84/1130479984.db2.gz ZJBRFGVGIADHPS-NEPJUHHUSA-N 0 1 264.438 3.642 20 0 CHADMN CC[C@H]1CN(Cc2cc3ccncc3s2)C[C@H](CC)O1 ZINC000668243657 1126785815 /nfs/dbraw/zinc/78/58/15/1126785815.db2.gz GJFXKGOBIVTNRM-KBPBESRZSA-N 0 1 290.432 3.686 20 0 CHADMN C[C@H](NCc1cccnc1)c1cccc(OC(F)(F)F)c1 ZINC000175753864 1126785898 /nfs/dbraw/zinc/78/58/98/1126785898.db2.gz QQWWLKSNVNSTLZ-NSHDSACASA-N 0 1 296.292 3.831 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C(=O)C=C3CCC3)[nH]c2c1 ZINC000176107709 1126788478 /nfs/dbraw/zinc/78/84/78/1126788478.db2.gz ZMRFDJDZFYWGQT-MRXNPFEDSA-N 0 1 295.386 3.645 20 0 CHADMN CCCN(Cc1cc(OC)ccc1Cl)C1CC1 ZINC000483596421 1126793814 /nfs/dbraw/zinc/79/38/14/1126793814.db2.gz JEJFYLNEQSDCCT-UHFFFAOYSA-N 0 1 253.773 3.723 20 0 CHADMN CC[C@H]1C[C@H](C[N@H+]2CCc3cc(Cl)ccc3C2)CCO1 ZINC000483663854 1126796097 /nfs/dbraw/zinc/79/60/97/1126796097.db2.gz SUNKKUNDFFOJSA-DYVFJYSZSA-N 0 1 293.838 3.903 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2cncs2)c(C)n1 ZINC000903310510 1126801006 /nfs/dbraw/zinc/80/10/06/1126801006.db2.gz KCOJHQGXDKBFAZ-NEPJUHHUSA-N 0 1 261.394 3.567 20 0 CHADMN CC(C)c1ccc(C[C@H]2CCN(Cc3ncccn3)C2)cc1 ZINC000483719308 1126798512 /nfs/dbraw/zinc/79/85/12/1126798512.db2.gz BZLMUQGYNKWHLI-QGZVFWFLSA-N 0 1 295.430 3.665 20 0 CHADMN C[C@H](c1ccccc1)[C@H](C)N[C@@H](C)c1nc(C2CC2)no1 ZINC000177474561 1126801730 /nfs/dbraw/zinc/80/17/30/1126801730.db2.gz TZNVSAQGJOANOL-AVGNSLFASA-N 0 1 285.391 3.790 20 0 CHADMN CCC1(CC)CCCN(Cc2ncc(CN(C)C)s2)C1 ZINC000827267491 1130533810 /nfs/dbraw/zinc/53/38/10/1130533810.db2.gz ZOAUPFRSHCAXIH-UHFFFAOYSA-N 0 1 295.496 3.607 20 0 CHADMN C[C@@H]1CCN(Cc2csc(-c3ccco3)n2)[C@@H]1C ZINC000177899303 1126806238 /nfs/dbraw/zinc/80/62/38/1126806238.db2.gz FSLAAMSMHGGXNK-GHMZBOCLSA-N 0 1 262.378 3.633 20 0 CHADMN CCCOc1ccc(CN2CC3(CC3(F)F)C2)c(C)c1 ZINC000668294003 1126806866 /nfs/dbraw/zinc/80/68/66/1126806866.db2.gz NYNHFHPBNUMLPS-UHFFFAOYSA-N 0 1 281.346 3.625 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@H]1CCCc3occc31)CCO2 ZINC000177941581 1126807371 /nfs/dbraw/zinc/80/73/71/1126807371.db2.gz VOGXCHICNFMSLO-LSDHHAIUSA-N 0 1 287.334 3.910 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Cl)s2)C[C@@H]1n1ccnc1 ZINC000177907087 1126807468 /nfs/dbraw/zinc/80/74/68/1126807468.db2.gz DNSCHCGQBAOIPX-AAEUAGOBSA-N 0 1 295.839 3.681 20 0 CHADMN c1onc(Cc2ccccc2)c1CN1C[C@@H]2CCCC[C@@H]21 ZINC000668299003 1126807860 /nfs/dbraw/zinc/80/78/60/1126807860.db2.gz QFFASBLEMBTFOP-YJBOKZPZSA-N 0 1 282.387 3.640 20 0 CHADMN Cc1ccc(CN2C[C@H](C(F)(F)F)CC[C@H]2C)o1 ZINC000679583753 1130542997 /nfs/dbraw/zinc/54/29/97/1130542997.db2.gz HKEZGAIVKMYCGR-MWLCHTKSSA-N 0 1 261.287 3.751 20 0 CHADMN FC(F)(F)Oc1ccc(CN2CCC(F)(F)CC2)cc1 ZINC000793359369 1130545400 /nfs/dbraw/zinc/54/54/00/1130545400.db2.gz KOPYNEIPQNZZQM-UHFFFAOYSA-N 0 1 295.251 3.816 20 0 CHADMN CC(C)n1cc(CN(C)[C@H](C)c2cccs2)cn1 ZINC000179409241 1126827040 /nfs/dbraw/zinc/82/70/40/1126827040.db2.gz JBXJBUQSXLTIBY-GFCCVEGCSA-N 0 1 263.410 3.719 20 0 CHADMN CC(C)C[C@H](C)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000179247800 1126825279 /nfs/dbraw/zinc/82/52/79/1126825279.db2.gz TYFDUSKHNMGSRV-KBPBESRZSA-N 0 1 287.407 3.746 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccccn1 ZINC000179467665 1126828050 /nfs/dbraw/zinc/82/80/50/1126828050.db2.gz WQEZAEIHPOMVDD-WBAXXEDZSA-N 0 1 282.387 3.653 20 0 CHADMN CN[C@@H](CC(C)C)c1nc([C@@H](C)c2cccs2)no1 ZINC000904094325 1126830379 /nfs/dbraw/zinc/83/03/79/1126830379.db2.gz MFPIOTGGMWELPJ-QWRGUYRKSA-N 0 1 279.409 3.590 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)C1CCC(F)(F)CC1 ZINC000179724908 1126833316 /nfs/dbraw/zinc/83/33/16/1126833316.db2.gz WWYGIGUHNFUCOA-UHFFFAOYSA-N 0 1 289.709 3.810 20 0 CHADMN CC[C@H](N[C@@H](C)c1cn(C)nc1C)c1ccccc1F ZINC000180444262 1126844108 /nfs/dbraw/zinc/84/41/08/1126844108.db2.gz LOUNQHUCXZMELQ-ZBEGNZNMSA-N 0 1 275.371 3.670 20 0 CHADMN COC[C@@H](N[C@H](C)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000180841947 1126849570 /nfs/dbraw/zinc/84/95/70/1126849570.db2.gz FXWYWUQAJZDERP-RDTXWAMCSA-N 0 1 297.398 3.660 20 0 CHADMN CC[C@@H](C[N@H+]1CCC[C@](CC)(C(=O)[O-])C1)c1ccccc1 ZINC000904401129 1126851916 /nfs/dbraw/zinc/85/19/16/1126851916.db2.gz NDEHKORAPJNCDJ-YJBOKZPZSA-N 0 1 289.419 3.757 20 0 CHADMN CC1=C(C)C[C@@](C)(c2nc([C@H](N)C(C)C)no2)CC1 ZINC000904500461 1126854027 /nfs/dbraw/zinc/85/40/27/1126854027.db2.gz MKQCGYCZXIHNGR-DOMZBBRYSA-N 0 1 263.385 3.503 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2ccc(Cl)c3occc32)n1 ZINC000904500280 1126854339 /nfs/dbraw/zinc/85/43/39/1126854339.db2.gz KAUYWWNIOBFGBN-NSHDSACASA-N 0 1 291.738 3.792 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H](C)Sc2ccc(F)cc2)n1 ZINC000904500124 1126854580 /nfs/dbraw/zinc/85/45/80/1126854580.db2.gz NWCYTRHRYRFLOJ-SKDRFNHKSA-N 0 1 295.383 3.718 20 0 CHADMN CC[C@@H](NCc1cccc(Cl)n1)c1ccc(OC)cc1 ZINC000181815383 1126862043 /nfs/dbraw/zinc/86/20/43/1126862043.db2.gz DZJDSQNFMPOCPM-OAHLLOKOSA-N 0 1 290.794 3.985 20 0 CHADMN CCc1ccc(CNCc2cn(C)nc2-c2ccccc2)o1 ZINC000181825284 1126861442 /nfs/dbraw/zinc/86/14/42/1126861442.db2.gz GHPCUXGTCWMLJK-UHFFFAOYSA-N 0 1 295.386 3.532 20 0 CHADMN CCOc1ccc([C@H](C)NCc2ccc(Cl)cn2)cc1 ZINC000182113844 1126866079 /nfs/dbraw/zinc/86/60/79/1126866079.db2.gz QTCOZIMPIIARJV-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2ccccc21)c1nccn1C ZINC000182187938 1126867420 /nfs/dbraw/zinc/86/74/20/1126867420.db2.gz YIXONSRPESHPLB-CVEARBPZSA-N 0 1 269.392 3.538 20 0 CHADMN CCO[C@H](CCNCc1csc(C2CC2)n1)C(C)C ZINC001308300941 1130678306 /nfs/dbraw/zinc/67/83/06/1130678306.db2.gz RRHOXKOBPIQHEI-CQSZACIVSA-N 0 1 282.453 3.561 20 0 CHADMN Cc1cccc(-c2cnc([C@@H]3CCCCN3)nc2)c1Cl ZINC000904843989 1126878398 /nfs/dbraw/zinc/87/83/98/1126878398.db2.gz MNKZUFLOAQHRCZ-AWEZNQCLSA-N 0 1 287.794 3.920 20 0 CHADMN CC[C@@H](C)[C@@H](C)NCc1noc(-c2ccccc2C)n1 ZINC000183027999 1126880839 /nfs/dbraw/zinc/88/08/39/1126880839.db2.gz LFQMCTXXTXIOLZ-DGCLKSJQSA-N 0 1 273.380 3.569 20 0 CHADMN c1cc2c(cccc2-c2cnc([C@H]3CCCCN3)nc2)o1 ZINC000904866475 1126881262 /nfs/dbraw/zinc/88/12/62/1126881262.db2.gz HZQBGDSVEDMGGJ-OAHLLOKOSA-N 0 1 279.343 3.704 20 0 CHADMN c1cc(Nc2ccc(-c3nc(C4CCC4)no3)cc2)ccn1 ZINC000904868334 1126881293 /nfs/dbraw/zinc/88/12/93/1126881293.db2.gz FUNPNEKZNLUWED-UHFFFAOYSA-N 0 1 292.342 3.565 20 0 CHADMN Cc1cc(C)c(CN[C@@H](c2nccn2C)C2CC2)c(C)c1 ZINC000183261752 1126883535 /nfs/dbraw/zinc/88/35/35/1126883535.db2.gz ODDHMKLRDPCJRI-QGZVFWFLSA-N 0 1 283.419 3.586 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccncc2)ccc1F ZINC000183707027 1126891018 /nfs/dbraw/zinc/89/10/18/1126891018.db2.gz CEUSRAGHWPEXMF-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN CCC[C@H]1CCCN(Cc2csc(N(C)C3CC3)n2)C1 ZINC000485190024 1126892783 /nfs/dbraw/zinc/89/27/83/1126892783.db2.gz CPRIQBUJVXJBLT-ZDUSSCGKSA-N 0 1 293.480 3.754 20 0 CHADMN CCC[C@@H](NCc1cc(F)ccc1F)c1cccnc1 ZINC000185372627 1126899909 /nfs/dbraw/zinc/89/99/09/1126899909.db2.gz MIQJDTCRBDSJLM-MRXNPFEDSA-N 0 1 276.330 3.991 20 0 CHADMN Cc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000485311922 1126903467 /nfs/dbraw/zinc/90/34/67/1126903467.db2.gz IETVSCOAUDVQGW-UHFFFAOYSA-N 0 1 299.754 3.588 20 0 CHADMN CC(C)CN(Cc1cc(C(C)(C)C)on1)C1CC1 ZINC000568919123 1126907439 /nfs/dbraw/zinc/90/74/39/1126907439.db2.gz VORQUHSGWAQSRE-UHFFFAOYSA-N 0 1 250.386 3.593 20 0 CHADMN CC[C@]1(CO)CCCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000187544451 1126912255 /nfs/dbraw/zinc/91/22/55/1126912255.db2.gz TZVHCJOVPRLPCP-LRDDRELGSA-N 0 1 283.362 3.510 20 0 CHADMN Cc1cccc(CN2CCC(C(=O)C(F)(F)F)CC2)c1C ZINC000187655587 1126912830 /nfs/dbraw/zinc/91/28/30/1126912830.db2.gz CTFDFSFRPCCNHI-UHFFFAOYSA-N 0 1 299.336 3.647 20 0 CHADMN c1c[nH]c([C@@H](NCCC2CCCC2)c2ccccc2)n1 ZINC000187723037 1126913887 /nfs/dbraw/zinc/91/38/87/1126913887.db2.gz LJDOHCSHONNYIW-INIZCTEOSA-N 0 1 269.392 3.669 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](c1nccn1C)C1CC1)CCC2 ZINC000187770610 1126915171 /nfs/dbraw/zinc/91/51/71/1126915171.db2.gz KYNDDFVHGISVJU-ROUUACIJSA-N 0 1 295.430 3.847 20 0 CHADMN CC(C)NCc1cn([C@@H](C)c2cccc3ccccc32)nn1 ZINC000905795980 1126915356 /nfs/dbraw/zinc/91/53/56/1126915356.db2.gz IWDRGJROGZYLLI-AWEZNQCLSA-N 0 1 294.402 3.539 20 0 CHADMN CN(Cc1cn([C@H]2C=CCCCCC2)nn1)C(C)(C)C ZINC000905804159 1126916312 /nfs/dbraw/zinc/91/63/12/1126916312.db2.gz VOGIWUIJWSRYIG-HNNXBMFYSA-N 0 1 276.428 3.570 20 0 CHADMN CCOc1cccc([C@H](C)N[C@H](C)c2nccnc2C)c1 ZINC000187893239 1126916668 /nfs/dbraw/zinc/91/66/68/1126916668.db2.gz ZEEMFCJFBQEYOO-GXTWGEPZSA-N 0 1 285.391 3.596 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000188249779 1126921226 /nfs/dbraw/zinc/92/12/26/1126921226.db2.gz VHSADWMBHVNARY-CZUORRHYSA-N 0 1 281.403 3.858 20 0 CHADMN Cc1nccnc1[C@@H](C)NC1(c2ccccc2)CCC1 ZINC000188341169 1126923230 /nfs/dbraw/zinc/92/32/30/1126923230.db2.gz IOSNLRLCHJSDKI-CQSZACIVSA-N 0 1 267.376 3.515 20 0 CHADMN Cc1cccc([C@@H](O)CN2CC[C@H]2c2cccc(F)c2)c1 ZINC000905950460 1126923463 /nfs/dbraw/zinc/92/34/63/1126923463.db2.gz OHIBIAIAUBVMGE-ROUUACIJSA-N 0 1 285.362 3.615 20 0 CHADMN c1coc(CN(CC[C@H]2CCCO2)Cc2cccs2)c1 ZINC000188584196 1126924647 /nfs/dbraw/zinc/92/46/47/1126924647.db2.gz ZIEDLFTYXYHPRJ-CQSZACIVSA-N 0 1 291.416 3.912 20 0 CHADMN Fc1cccc2c1OCC[C@@H]2N[C@H]1CCc2ccccc21 ZINC000188041929 1126919328 /nfs/dbraw/zinc/91/93/28/1126919328.db2.gz AAKIYVKXOCBLFU-IRXDYDNUSA-N 0 1 283.346 3.926 20 0 CHADMN CC(C)Oc1c(CN(C)C2CC(C)C2)ccc(F)c1F ZINC001238738590 1131238874 /nfs/dbraw/zinc/23/88/74/1131238874.db2.gz FTEXBARLJLGDRC-UHFFFAOYSA-N 0 1 283.362 3.982 20 0 CHADMN CSc1cccc(NC(=O)c2cn[nH]c2C(C)C)c1 ZINC000188825685 1126926185 /nfs/dbraw/zinc/92/61/85/1126926185.db2.gz OBUIRRPQIIMAJN-UHFFFAOYSA-N 0 1 275.377 3.507 20 0 CHADMN CCCOc1ccc(CNCc2cnc(C)s2)c(C)c1 ZINC000188793876 1126926612 /nfs/dbraw/zinc/92/66/12/1126926612.db2.gz SOWYOHPYAYOWLQ-UHFFFAOYSA-N 0 1 290.432 3.839 20 0 CHADMN CO[C@@H](C)[C@H](C)NCc1csc(-c2ccc(C)cc2)n1 ZINC000189104225 1126927637 /nfs/dbraw/zinc/92/76/37/1126927637.db2.gz NOOIZZKCTWACJM-STQMWFEESA-N 0 1 290.432 3.632 20 0 CHADMN COc1ccc(F)cc1CNCc1cc(F)ccc1C ZINC000189198222 1126928908 /nfs/dbraw/zinc/92/89/08/1126928908.db2.gz ZJLIDWSBTJWRRT-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN Cc1cncc(Br)c1CN1[C@H](C)CCC[C@@H]1C ZINC001235638023 1130758601 /nfs/dbraw/zinc/75/86/01/1130758601.db2.gz QJRSCRJOVMGDJO-TXEJJXNPSA-N 0 1 297.240 3.915 20 0 CHADMN Cc1ccc(F)cc1CN(Cc1ccccn1)C1CC1 ZINC000189314239 1126930647 /nfs/dbraw/zinc/93/06/47/1126930647.db2.gz SKNLCICXYXVNIK-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN CCCC1CCC(N(C)Cc2ncc(Cl)n2C)CC1 ZINC000782188375 1130758875 /nfs/dbraw/zinc/75/88/75/1130758875.db2.gz CRMLLMOCYBTKEG-UHFFFAOYSA-N 0 1 283.847 3.864 20 0 CHADMN CSCc1cccc(CNCc2cnc(C)s2)c1 ZINC000189477776 1126932523 /nfs/dbraw/zinc/93/25/23/1126932523.db2.gz BRSMZIXQBBLQDN-UHFFFAOYSA-N 0 1 278.446 3.604 20 0 CHADMN CCSc1cc(CNCc2cccc(F)c2)ccn1 ZINC000189589733 1126932881 /nfs/dbraw/zinc/93/28/81/1126932881.db2.gz ATPSJNXMJPIYCW-UHFFFAOYSA-N 0 1 276.380 3.623 20 0 CHADMN Cc1cc(F)c(-c2cnc([C@H]3CCCCN3)nc2)c(F)c1 ZINC000906177576 1126934646 /nfs/dbraw/zinc/93/46/46/1126934646.db2.gz GERITFNPJHHGQQ-CQSZACIVSA-N 0 1 289.329 3.545 20 0 CHADMN Cc1nc([C@H]2CCCN2CCc2scnc2C)cs1 ZINC000189755013 1126935180 /nfs/dbraw/zinc/93/51/80/1126935180.db2.gz YHKTVIXBZBEDKB-CYBMUJFWSA-N 0 1 293.461 3.596 20 0 CHADMN Fc1ccc(-c2cnc([C@@H]3CCCCN3)nc2)cc1Cl ZINC000906206145 1126937577 /nfs/dbraw/zinc/93/75/77/1126937577.db2.gz CZDLWDFATGSITO-AWEZNQCLSA-N 0 1 291.757 3.751 20 0 CHADMN Cn1ccc2cccc(-c3cccc([C@H]4COCCN4)c3)c21 ZINC000906213977 1126938999 /nfs/dbraw/zinc/93/89/99/1126938999.db2.gz CGQUUGRNCZYVGB-GOSISDBHSA-N 0 1 292.382 3.506 20 0 CHADMN CC(C)[C@@H]1CCCCN1Cc1csc(N(C)C2CC2)n1 ZINC000485674727 1126939187 /nfs/dbraw/zinc/93/91/87/1126939187.db2.gz QPZVNLFWITVYQV-HNNXBMFYSA-N 0 1 293.480 3.752 20 0 CHADMN CC(C)[C@H]1CCCCN1Cc1csc(N(C)C2CC2)n1 ZINC000485674728 1126939378 /nfs/dbraw/zinc/93/93/78/1126939378.db2.gz QPZVNLFWITVYQV-OAHLLOKOSA-N 0 1 293.480 3.752 20 0 CHADMN CCCCOc1ccccc1NC(=O)c1cn[nH]c1C1CC1 ZINC000190172630 1126939757 /nfs/dbraw/zinc/93/97/57/1126939757.db2.gz QBWKZFBWUQLWGC-UHFFFAOYSA-N 0 1 299.374 3.718 20 0 CHADMN Cc1c([C@@H](C)N[C@@H](C)c2cccnc2)cnn1C(C)C ZINC000191125541 1126948236 /nfs/dbraw/zinc/94/82/36/1126948236.db2.gz HHUQGFYKOXPFMI-QWHCGFSZSA-N 0 1 272.396 3.579 20 0 CHADMN Cc1c([C@@H](C)N[C@H](C)c2cccnc2)cnn1C(C)(C)C ZINC000191125644 1126948268 /nfs/dbraw/zinc/94/82/68/1126948268.db2.gz YNSDHQWROVCFEM-CHWSQXEVSA-N 0 1 286.423 3.753 20 0 CHADMN C[C@H](c1nc(-c2ccsc2)no1)N1CCCCCC1 ZINC000191160167 1126948639 /nfs/dbraw/zinc/94/86/39/1126948639.db2.gz YVZRPRXJPIXSBF-LLVKDONJSA-N 0 1 277.393 3.735 20 0 CHADMN Cc1c([C@@H](C)NCc2ccsc2)cnn1C(C)C ZINC000191173638 1126949401 /nfs/dbraw/zinc/94/94/01/1126949401.db2.gz LUKNINJHXBFGLX-LLVKDONJSA-N 0 1 263.410 3.685 20 0 CHADMN C[C@@H]1c2cccn2CCN1CCCc1cccc(F)c1 ZINC000485715814 1126945446 /nfs/dbraw/zinc/94/54/46/1126945446.db2.gz KEUNQBKXMLNRLP-CQSZACIVSA-N 0 1 272.367 3.637 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](Cc1ccc2ccccc2c1)C1CCC1 ZINC000569121919 1126946361 /nfs/dbraw/zinc/94/63/61/1126946361.db2.gz NWQBPNRGEZKGFR-CYBMUJFWSA-N 0 1 283.371 3.667 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1csc(Cl)c1 ZINC000191266196 1126950092 /nfs/dbraw/zinc/95/00/92/1126950092.db2.gz TVAHSLBEPLVJEG-DTWKUNHWSA-N 0 1 283.828 3.855 20 0 CHADMN C[C@@H](N[C@H]1c2ccccc2C[C@@H]1O)c1csc(Cl)c1 ZINC000191334636 1126950822 /nfs/dbraw/zinc/95/08/22/1126950822.db2.gz KVIZCZLYHAPTQT-DVJZZOLTSA-N 0 1 293.819 3.710 20 0 CHADMN CCn1cc(CN[C@H](C)c2oc3ccccc3c2C)cn1 ZINC000191676651 1126954423 /nfs/dbraw/zinc/95/44/23/1126954423.db2.gz TZNTWXILEUWUCF-CYBMUJFWSA-N 0 1 283.375 3.808 20 0 CHADMN C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCO[C@H](C2CC2)C1 ZINC000485824547 1126956341 /nfs/dbraw/zinc/95/63/41/1126956341.db2.gz ZNMISOAOEPANJI-NHYWBVRUSA-N 0 1 299.336 3.877 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1ccc(-c2cnco2)cc1 ZINC000906526034 1126956741 /nfs/dbraw/zinc/95/67/41/1126956741.db2.gz BLGJYARQNZMFCB-NSHDSACASA-N 0 1 297.358 3.797 20 0 CHADMN Fc1cccc([C@H]2C[C@@H]2N2CCC(c3ccon3)CC2)c1 ZINC000906590974 1126958987 /nfs/dbraw/zinc/95/89/87/1126958987.db2.gz USJCGXJROZJYCF-WBVHZDCISA-N 0 1 286.350 3.549 20 0 CHADMN O=C1CCCC12CCN([C@H]1C[C@H]1c1cccc(F)c1)CC2 ZINC000906590157 1126959180 /nfs/dbraw/zinc/95/91/80/1126959180.db2.gz NVMSKTMPUOSLCO-HOTGVXAUSA-N 0 1 287.378 3.517 20 0 CHADMN c1nc(CNCCc2nc(C3CCCCC3)cs2)co1 ZINC000192316216 1126960223 /nfs/dbraw/zinc/96/02/23/1126960223.db2.gz ZSUZZRVFZOBYPC-UHFFFAOYSA-N 0 1 291.420 3.511 20 0 CHADMN c1csc(C2(CNCc3cocn3)CCCCC2)c1 ZINC000192316971 1126960281 /nfs/dbraw/zinc/96/02/81/1126960281.db2.gz JESPGEYOOZGMMG-UHFFFAOYSA-N 0 1 276.405 3.728 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1ccnn1C ZINC000192727442 1126963899 /nfs/dbraw/zinc/96/38/99/1126963899.db2.gz BKHSQVXBJXWPDL-VHSXEESVSA-N 0 1 281.762 3.624 20 0 CHADMN Clc1ccc(-c2nccc3[nH]cnc32)c(Cl)c1 ZINC001235960460 1130817972 /nfs/dbraw/zinc/81/79/72/1130817972.db2.gz OSSITXZMYYHPNP-UHFFFAOYSA-N 0 1 264.115 3.932 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000194222680 1126972766 /nfs/dbraw/zinc/97/27/66/1126972766.db2.gz RIXQJGSKLPFYPI-UHFFFAOYSA-N 0 1 293.317 3.897 20 0 CHADMN C=Cn1cc(CNCc2ccc(C)cc2O[C@H](C)CC)cn1 ZINC000194362678 1126974037 /nfs/dbraw/zinc/97/40/37/1126974037.db2.gz VQKCOQSUOKHTFC-OAHLLOKOSA-N 0 1 299.418 3.759 20 0 CHADMN COc1cc(CNc2ccc3c(c2)CN(C)C3)ccc1C ZINC000194382998 1126974091 /nfs/dbraw/zinc/97/40/91/1126974091.db2.gz DKMIDCGQEITVRG-UHFFFAOYSA-N 0 1 282.387 3.561 20 0 CHADMN Cc1ccc(CN(C)Cc2cccnc2)cc1Cl ZINC000194585562 1126975994 /nfs/dbraw/zinc/97/59/94/1126975994.db2.gz GCVWXTZLHKYJNG-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN CCc1nc[nH]c1C(=O)N1CCC[C@H](C)c2ccccc21 ZINC000907357069 1126976754 /nfs/dbraw/zinc/97/67/54/1126976754.db2.gz AUIJFSIWFQOEGU-LBPRGKRZSA-N 0 1 283.375 3.516 20 0 CHADMN C/C(=C(/F)C(=O)Nc1ccccc1-c1cn[nH]c1)C1CC1 ZINC000907330469 1126976915 /nfs/dbraw/zinc/97/69/15/1126976915.db2.gz UJBPDCVLELFAQP-GDNBJRDFSA-N 0 1 285.322 3.669 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1cccc(O)c1 ZINC000194877473 1126977113 /nfs/dbraw/zinc/97/71/13/1126977113.db2.gz OMCCBFQXDBDFPH-GFCCVEGCSA-N 0 1 273.401 3.965 20 0 CHADMN CC1(CN[C@H](c2ncc[nH]2)c2cccnc2)CCCCCC1 ZINC000195088561 1126978255 /nfs/dbraw/zinc/97/82/55/1126978255.db2.gz DTZKGUMYCCDKQW-INIZCTEOSA-N 0 1 298.434 3.844 20 0 CHADMN CC(C)c1nnc(CN2CC[C@@H](Cc3ccccc3)[C@H]2C)o1 ZINC000266903246 1126990066 /nfs/dbraw/zinc/99/00/66/1126990066.db2.gz ADWHGUJFWMOWBJ-ZBFHGGJFSA-N 0 1 299.418 3.646 20 0 CHADMN O[C@H](CN1CCC[C@H]1c1ccc[nH]1)c1cccc(Cl)c1 ZINC000266655376 1126986423 /nfs/dbraw/zinc/98/64/23/1126986423.db2.gz KHRVUBFQJTXFEE-JKSUJKDBSA-N 0 1 290.794 3.539 20 0 CHADMN C[C@H](N[C@@H](c1nccn1C)c1ccc(Cl)cc1)C1CC1 ZINC000267269722 1126996415 /nfs/dbraw/zinc/99/64/15/1126996415.db2.gz RXQLGKHLGZBWPL-XHDPSFHLSA-N 0 1 289.810 3.551 20 0 CHADMN Cc1cccc([C@@H](NCc2nccn2C)C(C)(C)C)c1 ZINC000267378250 1126998588 /nfs/dbraw/zinc/99/85/88/1126998588.db2.gz AJHKCCLNVUFDRI-MRXNPFEDSA-N 0 1 271.408 3.606 20 0 CHADMN CCCCC[C@@H]1CCCN1CC(=O)Nc1ccccc1F ZINC000486807713 1127003332 /nfs/dbraw/zinc/00/33/32/1127003332.db2.gz HWVCQFOZVSAEAC-CQSZACIVSA-N 0 1 292.398 3.809 20 0 CHADMN C/C(=C\c1ccccc1)CNCc1ncc(C)s1 ZINC000174573865 1127017855 /nfs/dbraw/zinc/01/78/55/1127017855.db2.gz RZAZZGGDYMCHBI-XYOKQWHBSA-N 0 1 258.390 3.645 20 0 CHADMN Cc1cscc1CNCc1cc(-c2ccccc2)n[nH]1 ZINC000487214766 1127024949 /nfs/dbraw/zinc/02/49/49/1127024949.db2.gz JGRDZXYLANROTH-UHFFFAOYSA-N 0 1 283.400 3.736 20 0 CHADMN CC1(C)C[C@H](NCc2cn3ccsc3n2)c2ccccc21 ZINC000268801886 1127024791 /nfs/dbraw/zinc/02/47/91/1127024791.db2.gz KOCGDSSDYTWPNL-HNNXBMFYSA-N 0 1 297.427 3.908 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2cc(Cl)cs2)n[nH]1 ZINC000487159762 1127020206 /nfs/dbraw/zinc/02/02/06/1127020206.db2.gz NQUAOQVUDDFALF-IUCAKERBSA-N 0 1 298.843 3.884 20 0 CHADMN C[C@@H](NCc1ccccc1F)c1ccc2c(c1)COC2 ZINC000268705172 1127021220 /nfs/dbraw/zinc/02/12/20/1127021220.db2.gz HRYYLAZTXRKKCP-GFCCVEGCSA-N 0 1 271.335 3.707 20 0 CHADMN CC[C@@H](NCc1c(C)noc1C)c1ccsc1 ZINC000294175647 1129214119 /nfs/dbraw/zinc/21/41/19/1129214119.db2.gz CZZZLTFXFOSNPJ-CYBMUJFWSA-N 0 1 250.367 3.594 20 0 CHADMN CC[C@H](C)[C@@H](C)N[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000268760151 1127023021 /nfs/dbraw/zinc/02/30/21/1127023021.db2.gz KZKOXEPCPYHOJO-ZENOOKHLSA-N 0 1 289.398 3.673 20 0 CHADMN CCOc1ccccc1CN[C@H](C)c1ccc2c(c1)COC2 ZINC000268826642 1127025096 /nfs/dbraw/zinc/02/50/96/1127025096.db2.gz JDIHJPBPDHGZEN-CQSZACIVSA-N 0 1 297.398 3.966 20 0 CHADMN Cc1ccn2cc(CN[C@H]3CCCc4ccccc43)nc2c1 ZINC000268833998 1127026279 /nfs/dbraw/zinc/02/62/79/1127026279.db2.gz CWVFBGQLHVZFKW-SFHVURJKSA-N 0 1 291.398 3.810 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@H](C)c1cn(C)nc1C ZINC000268866598 1127026649 /nfs/dbraw/zinc/02/66/49/1127026649.db2.gz COBHDOKQKZJMMX-QWHCGFSZSA-N 0 1 287.407 3.539 20 0 CHADMN Cc1ccn2cc(CN[C@@H]3CCc4cc(F)ccc43)nc2c1 ZINC000268866987 1127026682 /nfs/dbraw/zinc/02/66/82/1127026682.db2.gz KRUFRQWMMYBJQR-QGZVFWFLSA-N 0 1 295.361 3.559 20 0 CHADMN CO[C@@H](CN[C@@H](CCC(C)C)c1ccoc1)C(F)(F)F ZINC000796871273 1130941759 /nfs/dbraw/zinc/94/17/59/1130941759.db2.gz FJKKPFVMHKCEJZ-STQMWFEESA-N 0 1 293.329 3.924 20 0 CHADMN CC[C@@H](NC[C@@H](O)c1ccc(C)o1)c1ccc(F)cc1F ZINC000269079544 1127034789 /nfs/dbraw/zinc/03/47/89/1127034789.db2.gz ZCVCUXNXGNJUIU-HUUCEWRRSA-N 0 1 295.329 3.641 20 0 CHADMN C[C@H](NCc1ncc(-c2ccccc2)cn1)[C@H]1CC1(C)C ZINC000487557979 1127035034 /nfs/dbraw/zinc/03/50/34/1127035034.db2.gz XTHDUXBDSUDDCK-XJKSGUPXSA-N 0 1 281.403 3.668 20 0 CHADMN Clc1ccsc1CNc1cnccc1-n1cccn1 ZINC000487558034 1127035131 /nfs/dbraw/zinc/03/51/31/1127035131.db2.gz KNUNYYWMOVNVFL-UHFFFAOYSA-N 0 1 290.779 3.594 20 0 CHADMN C[C@H](N[C@H](CCCO)c1ccccc1)c1ccccc1F ZINC000269000137 1127031541 /nfs/dbraw/zinc/03/15/41/1127031541.db2.gz OXCRCPXQIDWASR-KBXCAEBGSA-N 0 1 287.378 3.990 20 0 CHADMN CC[C@H](N[C@H](C)[C@H](C)OC)c1nc(C(F)(F)F)cs1 ZINC000269002356 1127031765 /nfs/dbraw/zinc/03/17/65/1127031765.db2.gz VBPPKORNXIDLQR-VGMNWLOBSA-N 0 1 296.358 3.626 20 0 CHADMN C[C@H](N[C@@H]1CCc2c1cccc2F)c1cncc(F)c1 ZINC000269011388 1127032461 /nfs/dbraw/zinc/03/24/61/1127032461.db2.gz NOWCXUWETKNLEQ-MGPLVRAMSA-N 0 1 274.314 3.698 20 0 CHADMN C[C@H](NCc1ccc(F)cn1)c1ccc2c(c1)CCCC2 ZINC000269003854 1127032554 /nfs/dbraw/zinc/03/25/54/1127032554.db2.gz KFJMFAPELVWDAC-ZDUSSCGKSA-N 0 1 284.378 3.950 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)/C=C/C3CC3)c2C1 ZINC000269593261 1127042706 /nfs/dbraw/zinc/04/27/06/1127042706.db2.gz SYUMHJFZNBPQAS-CMDGGOBGSA-N 0 1 284.403 3.563 20 0 CHADMN Cc1ccc(NC(=O)CN(C)[C@@H](C)c2cccc(C)c2)cc1 ZINC000487879582 1127045048 /nfs/dbraw/zinc/04/50/48/1127045048.db2.gz QRXFHHLJHDGZQC-INIZCTEOSA-N 0 1 296.414 3.935 20 0 CHADMN C[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1ccccn1 ZINC000270021081 1127049284 /nfs/dbraw/zinc/04/92/84/1127049284.db2.gz WOVUIKWKPANAHQ-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN CC[N@@H+](Cc1ccc(OC)c(F)c1)[C@H](C)c1cccnc1 ZINC000270685910 1127061158 /nfs/dbraw/zinc/06/11/58/1127061158.db2.gz WGHFGMLFSGPPOB-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN CCN(Cc1ccc(OC)c(F)c1)[C@H](C)c1cccnc1 ZINC000270685910 1127061161 /nfs/dbraw/zinc/06/11/61/1127061161.db2.gz WGHFGMLFSGPPOB-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN CC[N@@H+](CCc1cccs1)[C@H](C)c1nc(C(C)C)no1 ZINC000270770735 1127061864 /nfs/dbraw/zinc/06/18/64/1127061864.db2.gz LSJGGPCCJQFLFJ-GFCCVEGCSA-N 0 1 293.436 3.880 20 0 CHADMN CCN(CCc1cccs1)[C@H](C)c1nc(C(C)C)no1 ZINC000270770735 1127061866 /nfs/dbraw/zinc/06/18/66/1127061866.db2.gz LSJGGPCCJQFLFJ-GFCCVEGCSA-N 0 1 293.436 3.880 20 0 CHADMN CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)c1cccnc1 ZINC000270751511 1127062176 /nfs/dbraw/zinc/06/21/76/1127062176.db2.gz JWUQLLWXQOUKNM-AWEZNQCLSA-N 0 1 270.376 3.673 20 0 CHADMN Cc1cc(C)cc(CSCc2n[nH]c(C(C)C)n2)c1 ZINC000488231400 1127063557 /nfs/dbraw/zinc/06/35/57/1127063557.db2.gz IFRRMRAVRYNMMI-UHFFFAOYSA-N 0 1 275.421 3.978 20 0 CHADMN Cc1nc(SCc2nccc(C)n2)[nH]c1-c1ccccc1 ZINC000488223442 1127063991 /nfs/dbraw/zinc/06/39/91/1127063991.db2.gz AEGKIVQFSIAVMB-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN C[C@@H](NC[C@H](C)Sc1ccccc1)c1cscn1 ZINC000271022448 1127064158 /nfs/dbraw/zinc/06/41/58/1127064158.db2.gz AOUUVMVRIIGQDN-NWDGAFQWSA-N 0 1 278.446 3.975 20 0 CHADMN c1ccc(COc2cncc(CN3CCC34CCC4)c2)cc1 ZINC000488236307 1127065699 /nfs/dbraw/zinc/06/56/99/1127065699.db2.gz XDLBSAJKWWOWAD-UHFFFAOYSA-N 0 1 294.398 3.789 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cncs2)c(C)c1 ZINC000271060448 1127067336 /nfs/dbraw/zinc/06/73/36/1127067336.db2.gz WSPMCJDNXHTUSX-ZDUSSCGKSA-N 0 1 260.406 3.953 20 0 CHADMN Cc1nn(C)cc1CN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000271167971 1127070655 /nfs/dbraw/zinc/07/06/55/1127070655.db2.gz CSXNMSUHYLJYPU-QGZVFWFLSA-N 0 1 287.382 3.595 20 0 CHADMN CC(C)CN[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000271209277 1127073197 /nfs/dbraw/zinc/07/31/97/1127073197.db2.gz HFRFVNBVWFQKTM-SNVBAGLBSA-N 0 1 279.771 3.697 20 0 CHADMN CCc1cccc2cc(CN3CCCc4n[nH]cc4C3)oc21 ZINC000668842896 1127074027 /nfs/dbraw/zinc/07/40/27/1127074027.db2.gz RSZNMFMWZRKTFD-UHFFFAOYSA-N 0 1 295.386 3.667 20 0 CHADMN CC1(C)Cc2n[nH]cc2CN(Cc2ccc3occc3c2)C1 ZINC000668845001 1127074334 /nfs/dbraw/zinc/07/43/34/1127074334.db2.gz MKVIXALUDNUVMU-UHFFFAOYSA-N 0 1 295.386 3.740 20 0 CHADMN CCc1ncc(C[N@@H+](C)CCCOc2ccccc2)s1 ZINC000067403109 1127074895 /nfs/dbraw/zinc/07/48/95/1127074895.db2.gz FRTPSNVDEUTOMS-UHFFFAOYSA-N 0 1 290.432 3.606 20 0 CHADMN CCc1ncc(CN(C)CCCOc2ccccc2)s1 ZINC000067403109 1127074898 /nfs/dbraw/zinc/07/48/98/1127074898.db2.gz FRTPSNVDEUTOMS-UHFFFAOYSA-N 0 1 290.432 3.606 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C[C@H](C)c1ccccc1 ZINC000271313882 1127075532 /nfs/dbraw/zinc/07/55/32/1127075532.db2.gz WAHCOOQEYIXQPA-VIFPVBQESA-N 0 1 293.317 3.788 20 0 CHADMN Cc1nnc(CN2C[C@H](c3ccccc3C)C[C@H]2C)s1 ZINC000271422624 1127079283 /nfs/dbraw/zinc/07/92/83/1127079283.db2.gz MLWQIOWVEBEUEK-TZMCWYRMSA-N 0 1 287.432 3.533 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](CC)c2cccc(Cl)c2)n[nH]1 ZINC000271422098 1127079527 /nfs/dbraw/zinc/07/95/27/1127079527.db2.gz BZDADOCKYMRRAB-MFKMUULPSA-N 0 1 292.814 3.822 20 0 CHADMN c1c2ccccc2oc1CN(Cc1cccnc1)C1CC1 ZINC000271423949 1127079572 /nfs/dbraw/zinc/07/95/72/1127079572.db2.gz YXDNGOAAASOWPT-UHFFFAOYSA-N 0 1 278.355 3.992 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H](C)c2cccc(Cl)c2)n[nH]1 ZINC000271411483 1127079913 /nfs/dbraw/zinc/07/99/13/1127079913.db2.gz ASIUFRRLCWFCKR-WDEREUQCSA-N 0 1 292.814 3.993 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(Cl)s1 ZINC000271425996 1127080902 /nfs/dbraw/zinc/08/09/02/1127080902.db2.gz AGEFDRVQQGQNKL-WCBMZHEXSA-N 0 1 281.812 3.853 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H](C)Oc2ccccc2)cs1 ZINC000271450391 1127082965 /nfs/dbraw/zinc/08/29/65/1127082965.db2.gz IBGUJEQUHUIRFV-NWDGAFQWSA-N 0 1 276.405 3.570 20 0 CHADMN C=Cc1ccc(-c2cnc([C@H]3CCCCN3)nc2)cc1 ZINC000911596128 1127083021 /nfs/dbraw/zinc/08/30/21/1127083021.db2.gz PZDKVQFOFVUKIU-MRXNPFEDSA-N 0 1 265.360 3.601 20 0 CHADMN CCCOc1ccc([C@H](C)N[C@H]2CCCc3c[nH]nc32)cc1 ZINC000271450902 1127083079 /nfs/dbraw/zinc/08/30/79/1127083079.db2.gz DOBZPOWSNLJUBU-GUYCJALGSA-N 0 1 299.418 3.927 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000271457002 1127084025 /nfs/dbraw/zinc/08/40/25/1127084025.db2.gz JGPKTRUIGDAWPK-SJORKVTESA-N 0 1 291.341 3.739 20 0 CHADMN CCc1nc([C@H](C)N[C@@H]2CC[C@@H](C)c3ccccc32)n[nH]1 ZINC000271484719 1127085973 /nfs/dbraw/zinc/08/59/73/1127085973.db2.gz KAAPEPFQLLDAKL-TYNCELHUSA-N 0 1 284.407 3.656 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H]2CCc3cc(C)ccc32)c1 ZINC000924842249 1127086399 /nfs/dbraw/zinc/08/63/99/1127086399.db2.gz FXAALVQBKYJJOD-SUMWQHHRSA-N 0 1 282.387 3.737 20 0 CHADMN CO[C@@H](CN[C@H](C)c1nccs1)c1ccc(Cl)cc1 ZINC000271494589 1127086766 /nfs/dbraw/zinc/08/67/66/1127086766.db2.gz KPJDAYLADJQGGK-MFKMUULPSA-N 0 1 296.823 3.835 20 0 CHADMN Cc1cccc([C@@H](C)N[C@H](CO)c2ccc(F)cc2)c1 ZINC000271509010 1127087470 /nfs/dbraw/zinc/08/74/70/1127087470.db2.gz RZEPYUMLVRRSCR-CXAGYDPISA-N 0 1 273.351 3.518 20 0 CHADMN Cc1nc(C(C)C)sc1[C@H](C)N[C@H](C)c1cn[nH]c1 ZINC000271537180 1127089629 /nfs/dbraw/zinc/08/96/29/1127089629.db2.gz QJVRKMKUDKKRQR-ZJUUUORDSA-N 0 1 278.425 3.710 20 0 CHADMN Cc1cccc([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c1C ZINC000271541968 1127091114 /nfs/dbraw/zinc/09/11/14/1127091114.db2.gz QYSKVIRFGQSFJQ-ZIAGYGMSSA-N 0 1 286.423 3.957 20 0 CHADMN Cc1cnc(CN(C)C[C@@H](C)c2ccccc2)s1 ZINC000271540858 1127091262 /nfs/dbraw/zinc/09/12/62/1127091262.db2.gz PIMUDWMCQXEYHM-GFCCVEGCSA-N 0 1 260.406 3.687 20 0 CHADMN Cn1ccc(CN[C@H](CC2CCCC2)c2ccccc2)n1 ZINC000271560811 1127091897 /nfs/dbraw/zinc/09/18/97/1127091897.db2.gz UFNKNSHGVIBJJW-GOSISDBHSA-N 0 1 283.419 3.831 20 0 CHADMN COc1cccc([C@@H](C)NCc2cccc(Cl)n2)c1 ZINC000271659113 1127095867 /nfs/dbraw/zinc/09/58/67/1127095867.db2.gz KTAJHRREZHBOSH-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN Fc1ccc([C@H](NCc2ccno2)C2CCCC2)cc1 ZINC000271692136 1127096863 /nfs/dbraw/zinc/09/68/63/1127096863.db2.gz RSMGPVMWNJXEAS-MRXNPFEDSA-N 0 1 274.339 3.835 20 0 CHADMN COc1ccc([C@@H](NCc2ccc(F)cn2)C(C)C)cc1 ZINC000271679594 1127097139 /nfs/dbraw/zinc/09/71/39/1127097139.db2.gz JFUCJFSZTLICEG-KRWDZBQOSA-N 0 1 288.366 3.716 20 0 CHADMN Cc1ccccc1[C@@H](NCc1ccc(F)cn1)C1CC1 ZINC000271671888 1127097198 /nfs/dbraw/zinc/09/71/98/1127097198.db2.gz ILBMIPRSLCJJPX-KRWDZBQOSA-N 0 1 270.351 3.770 20 0 CHADMN COC1(C)CCN([C@@H](C)c2c(F)cccc2F)CC1 ZINC000271683295 1127097213 /nfs/dbraw/zinc/09/72/13/1127097213.db2.gz CYMIURISKCLUND-NSHDSACASA-N 0 1 269.335 3.527 20 0 CHADMN Cc1cc(CNCc2ccnc(N3CCCCC3)c2)c(C)o1 ZINC000163612925 1127101903 /nfs/dbraw/zinc/10/19/03/1127101903.db2.gz OXTCOJSENLQSTA-UHFFFAOYSA-N 0 1 299.418 3.572 20 0 CHADMN Cc1cccc(C2(NCc3cccc(C)n3)CCC2)c1 ZINC000646021722 1127116650 /nfs/dbraw/zinc/11/66/50/1127116650.db2.gz XNTJPFZIMQPBKD-UHFFFAOYSA-N 0 1 266.388 3.867 20 0 CHADMN Fc1cccc(CN2CCC[C@@H]2[C@@H]2CCCO2)c1Cl ZINC000339165592 1127117855 /nfs/dbraw/zinc/11/78/55/1127117855.db2.gz CIXVGFZCHYBQOZ-KGLIPLIRSA-N 0 1 283.774 3.623 20 0 CHADMN COc1cc(C)ccc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000151009197 1127118507 /nfs/dbraw/zinc/11/85/07/1127118507.db2.gz MUNVVZFJRBYZPM-UHFFFAOYSA-N 0 1 291.778 3.652 20 0 CHADMN Cn1cc(C[N@@H+](Cc2ccccc2)C2CC2)c(C(F)F)n1 ZINC000274452700 1127120348 /nfs/dbraw/zinc/12/03/48/1127120348.db2.gz FLGBEMSBVUEPRZ-UHFFFAOYSA-N 0 1 291.345 3.522 20 0 CHADMN Cn1cc(CN(Cc2ccccc2)C2CC2)c(C(F)F)n1 ZINC000274452700 1127120351 /nfs/dbraw/zinc/12/03/51/1127120351.db2.gz FLGBEMSBVUEPRZ-UHFFFAOYSA-N 0 1 291.345 3.522 20 0 CHADMN COCc1ccc([C@H]2CCCN2[C@H](C)c2cccnc2)o1 ZINC000274461205 1127120390 /nfs/dbraw/zinc/12/03/90/1127120390.db2.gz MNZWCJLZZGYTTA-CZUORRHYSA-N 0 1 286.375 3.719 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@@H](c3ccccc3)[C@@H]2C)s1 ZINC000283052043 1127121705 /nfs/dbraw/zinc/12/17/05/1127121705.db2.gz IYQDRNHUOZOPJI-SLEUVZQESA-N 0 1 287.432 3.786 20 0 CHADMN O=C(OC/C=C/c1ccccc1)c1cc(-c2ccco2)n[nH]1 ZINC000913299239 1127128342 /nfs/dbraw/zinc/12/83/42/1127128342.db2.gz WOFYNRYROFWJSL-XBXARRHUSA-N 0 1 294.310 3.540 20 0 CHADMN COc1cc([C@H](C)N[C@@H](C)c2ccsc2)ccn1 ZINC000348680066 1127124072 /nfs/dbraw/zinc/12/40/72/1127124072.db2.gz JKGRKFFSMGRRCR-QWRGUYRKSA-N 0 1 262.378 3.564 20 0 CHADMN C[C@@H](CN(C)Cc1ccon1)c1ccc(C(F)(F)F)cc1 ZINC000283461395 1127138853 /nfs/dbraw/zinc/13/88/53/1127138853.db2.gz YWQUZWOCLIMARK-NSHDSACASA-N 0 1 298.308 3.929 20 0 CHADMN [S-]c1ccoc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001237181019 1131063812 /nfs/dbraw/zinc/06/38/12/1131063812.db2.gz LHEWFIKUZMUQEL-ZDUSSCGKSA-N 0 1 259.374 3.558 20 0 CHADMN [S-]c1ccoc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC001237181019 1131063816 /nfs/dbraw/zinc/06/38/16/1131063816.db2.gz LHEWFIKUZMUQEL-ZDUSSCGKSA-N 0 1 259.374 3.558 20 0 CHADMN CN(C)Cc1cc(NC2CC(C(F)F)C2)ccc1Cl ZINC000798962736 1131064727 /nfs/dbraw/zinc/06/47/27/1131064727.db2.gz XOBDYKLNKAROKM-UHFFFAOYSA-N 0 1 288.769 3.857 20 0 CHADMN CC1(C)C(NCc2ncc(C(F)(F)F)s2)C1(C)C ZINC000349153421 1127141948 /nfs/dbraw/zinc/14/19/48/1127141948.db2.gz SCQAQCXBPPHWEL-UHFFFAOYSA-N 0 1 278.343 3.686 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)[C@@H]2CCC[C@H](C)C2)[nH]1 ZINC000283600781 1127146190 /nfs/dbraw/zinc/14/61/90/1127146190.db2.gz YHCYRTBNDIPLAY-WCQYABFASA-N 0 1 285.391 3.522 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](CO)c2ccsc2)s1 ZINC000349308884 1127146227 /nfs/dbraw/zinc/14/62/27/1127146227.db2.gz BPPGSJPACCWORQ-CMPLNLGQSA-N 0 1 267.419 3.502 20 0 CHADMN Fc1ccc(/C=C/CN(Cc2ccccn2)C2CC2)cc1 ZINC000349284914 1127146247 /nfs/dbraw/zinc/14/62/47/1127146247.db2.gz SJKUWEVQWIEBHW-ONEGZZNKSA-N 0 1 282.362 3.899 20 0 CHADMN C[N@H+](CCc1ccccc1Cl)Cc1occc1[S-] ZINC001237191577 1131068723 /nfs/dbraw/zinc/06/87/23/1131068723.db2.gz MNVGFKPWAHZNNN-UHFFFAOYSA-N 0 1 281.808 3.896 20 0 CHADMN C[N@@H+](CCc1ccccc1Cl)Cc1occc1[S-] ZINC001237191577 1131068729 /nfs/dbraw/zinc/06/87/29/1131068729.db2.gz MNVGFKPWAHZNNN-UHFFFAOYSA-N 0 1 281.808 3.896 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](CO)c2ccsc2)s1 ZINC000349308885 1127146743 /nfs/dbraw/zinc/14/67/43/1127146743.db2.gz BPPGSJPACCWORQ-JQWIXIFHSA-N 0 1 267.419 3.502 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccsc1)c1ccccc1 ZINC000349324305 1127146954 /nfs/dbraw/zinc/14/69/54/1127146954.db2.gz QBYGHCCZESBALP-HUUCEWRRSA-N 0 1 261.390 3.522 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCCN(c3ccc(C)cc3)C2)no1 ZINC000283691651 1127152516 /nfs/dbraw/zinc/15/25/16/1127152516.db2.gz AHYFTHSUWFRNLK-JKSUJKDBSA-N 0 1 299.418 3.611 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000570986068 1127153130 /nfs/dbraw/zinc/15/31/30/1127153130.db2.gz ZWBWIFFERKKJFW-PWSUYJOCSA-N 0 1 275.783 3.850 20 0 CHADMN CCOc1cccc(CN(CC)Cc2cccc(F)c2)n1 ZINC000349578129 1127154033 /nfs/dbraw/zinc/15/40/33/1127154033.db2.gz PUCDIRPZKODEPY-UHFFFAOYSA-N 0 1 288.366 3.642 20 0 CHADMN CC(C)CC[C@H]1CCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000570933800 1127149946 /nfs/dbraw/zinc/14/99/46/1127149946.db2.gz NNIJEXXRIQOSTF-OAHLLOKOSA-N 0 1 275.392 3.785 20 0 CHADMN CCc1nc(CN[C@H](C)CSC(C)(C)C)cs1 ZINC000156438003 1127156277 /nfs/dbraw/zinc/15/62/77/1127156277.db2.gz YIVKNPQUUWGZGO-SNVBAGLBSA-N 0 1 272.483 3.715 20 0 CHADMN OC[C@@H](NCc1cc2ccccc2s1)c1ccsc1 ZINC000349703272 1127158426 /nfs/dbraw/zinc/15/84/26/1127158426.db2.gz OWXYVELYGPFURU-CQSZACIVSA-N 0 1 289.425 3.786 20 0 CHADMN CC1(F)CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001237352797 1131088323 /nfs/dbraw/zinc/08/83/23/1131088323.db2.gz MDLOEFXNOXKFRP-UHFFFAOYSA-N 0 1 291.288 3.751 20 0 CHADMN Cc1cccc(CN(C)Cc2cnn(C(C)(C)C)c2)c1 ZINC000349732391 1127159540 /nfs/dbraw/zinc/15/95/40/1127159540.db2.gz ODCCPAOBBQJTRA-UHFFFAOYSA-N 0 1 271.408 3.579 20 0 CHADMN Cc1ccc2nc(CN[C@H]3C[C@@H](C)c4ccccc43)cn2c1 ZINC000283867412 1127160733 /nfs/dbraw/zinc/16/07/33/1127160733.db2.gz IMHOYBFIAXUTEK-KDOFPFPSSA-N 0 1 291.398 3.981 20 0 CHADMN CO[C@@H](CN1CC(C)(C)OC[C@@H]1C)c1ccc(Cl)cc1 ZINC000571704365 1127164222 /nfs/dbraw/zinc/16/42/22/1127164222.db2.gz RYSGRVHYGCYDMQ-WFASDCNBSA-N 0 1 297.826 3.527 20 0 CHADMN CCN(CCOC)Cc1c(Cl)oc2ccccc21 ZINC000349862549 1127165618 /nfs/dbraw/zinc/16/56/18/1127165618.db2.gz WRONANGVPFZEOP-UHFFFAOYSA-N 0 1 267.756 3.555 20 0 CHADMN CCn1nc(C)c(CN2CCc3sccc3[C@@H]2C)c1C ZINC000350035107 1127170958 /nfs/dbraw/zinc/17/09/58/1127170958.db2.gz NJCYXBXXFPYUBA-LBPRGKRZSA-N 0 1 289.448 3.701 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN(Cc2ccn(C)c2)C2CC2)o1 ZINC000349916474 1127167924 /nfs/dbraw/zinc/16/79/24/1127167924.db2.gz SOXWVPLMJWHBSX-SUMWQHHRSA-N 0 1 284.403 3.906 20 0 CHADMN Cc1ncsc1CN(Cc1ccccc1C)C1CC1 ZINC000349946197 1127168828 /nfs/dbraw/zinc/16/88/28/1127168828.db2.gz RPSMIBPKMXVBKP-UHFFFAOYSA-N 0 1 272.417 3.925 20 0 CHADMN CCc1ncc(CN(C)[C@@H]2CCc3ccccc32)s1 ZINC000350000086 1127170331 /nfs/dbraw/zinc/17/03/31/1127170331.db2.gz HLMFZWRVXMVGBS-OAHLLOKOSA-N 0 1 272.417 3.825 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)n(C)n1 ZINC000284063718 1127172111 /nfs/dbraw/zinc/17/21/11/1127172111.db2.gz JTVRSBUAVPZSHQ-SNVBAGLBSA-N 0 1 298.217 3.886 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)n(C)n1 ZINC000284063717 1127172119 /nfs/dbraw/zinc/17/21/19/1127172119.db2.gz JTVRSBUAVPZSHQ-JTQLQIEISA-N 0 1 298.217 3.886 20 0 CHADMN CC[C@@H](NCc1cc(C)nn1C)c1cccc(Cl)c1 ZINC000284125857 1127175107 /nfs/dbraw/zinc/17/51/07/1127175107.db2.gz CSCFHRJIFWALHS-OAHLLOKOSA-N 0 1 277.799 3.623 20 0 CHADMN CCN(Cc1sccc1OC)Cc1ccc(OC)cc1 ZINC000350276364 1127175931 /nfs/dbraw/zinc/17/59/31/1127175931.db2.gz ASBFMJGNUPSFNL-UHFFFAOYSA-N 0 1 291.416 3.787 20 0 CHADMN CCc1nocc1CN1CCC[C@H]1c1cccs1 ZINC000350280203 1127175938 /nfs/dbraw/zinc/17/59/38/1127175938.db2.gz SWVDJPFJUFCULI-ZDUSSCGKSA-N 0 1 262.378 3.636 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2conc2C)cc1 ZINC000350315847 1127177046 /nfs/dbraw/zinc/17/70/46/1127177046.db2.gz WPMQQGBVEKVLTF-KRWDZBQOSA-N 0 1 286.375 3.719 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2noc(-c3cccs3)n2)[C@@H](C)C1 ZINC000571827097 1127177549 /nfs/dbraw/zinc/17/75/49/1127177549.db2.gz UQZDOLNGOPTJMI-GRYCIOLGSA-N 0 1 291.420 3.712 20 0 CHADMN Cc1cc([C@H](C)NC[C@@H](C)Oc2ccc(Cl)cc2)no1 ZINC000284287809 1127180174 /nfs/dbraw/zinc/18/01/74/1127180174.db2.gz XSFVBKGPJNIPPQ-NEPJUHHUSA-N 0 1 294.782 3.755 20 0 CHADMN CC(C)(C)c1ncc(CN[C@@H]2CCc3cc(F)ccc32)cn1 ZINC000284297191 1127180470 /nfs/dbraw/zinc/18/04/70/1127180470.db2.gz IPAUCFUUWRGKOS-MRXNPFEDSA-N 0 1 299.393 3.690 20 0 CHADMN COc1ccc(C)cc1CNCC1=Cc2ccccc2OC1 ZINC000588178450 1127180523 /nfs/dbraw/zinc/18/05/23/1127180523.db2.gz PPEQTKPZAGHQOA-UHFFFAOYSA-N 0 1 295.382 3.569 20 0 CHADMN C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCc1cscn1 ZINC000284359008 1127181007 /nfs/dbraw/zinc/18/10/07/1127181007.db2.gz SPUHEVZKAZDGCF-SNVBAGLBSA-N 0 1 282.359 3.657 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)CCc1cscn1 ZINC000284359008 1127181010 /nfs/dbraw/zinc/18/10/10/1127181010.db2.gz SPUHEVZKAZDGCF-SNVBAGLBSA-N 0 1 282.359 3.657 20 0 CHADMN CCn1nccc1CCN1CC[C@H]1c1ccc(Cl)cc1 ZINC000284375334 1127182337 /nfs/dbraw/zinc/18/23/37/1127182337.db2.gz LPRUEPZRLSMSCI-INIZCTEOSA-N 0 1 289.810 3.546 20 0 CHADMN CC[C@@H](NCc1cc(C)nn1C)c1ccc(Cl)s1 ZINC000284496509 1127186628 /nfs/dbraw/zinc/18/66/28/1127186628.db2.gz VNPRVVMCPVHCIB-LLVKDONJSA-N 0 1 283.828 3.684 20 0 CHADMN Cc1ccc(-c2n[nH]c(SCCc3ccncc3)n2)cc1 ZINC000588670243 1127189552 /nfs/dbraw/zinc/18/95/52/1127189552.db2.gz GLKVLORFRAHPQB-UHFFFAOYSA-N 0 1 296.399 3.510 20 0 CHADMN CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])c(C)o1 ZINC000572127795 1127193835 /nfs/dbraw/zinc/19/38/35/1127193835.db2.gz UCJUISJTDIYFHV-AWEZNQCLSA-N 0 1 279.380 3.687 20 0 CHADMN CCc1cccc(OCCN(C)Cc2ccoc2C)c1 ZINC000351586329 1127196225 /nfs/dbraw/zinc/19/62/25/1127196225.db2.gz WCYIPWCHQYQZQY-UHFFFAOYSA-N 0 1 273.376 3.661 20 0 CHADMN COc1ccccc1CN(C)CCOc1cc(C)cc(C)c1 ZINC000588795892 1127201130 /nfs/dbraw/zinc/20/11/30/1127201130.db2.gz LXCQWCJLVXEDNJ-UHFFFAOYSA-N 0 1 299.414 3.823 20 0 CHADMN CC(C)(C)c1ccncc1CNCc1ccc2c(n1)CCC2 ZINC000572492365 1127201462 /nfs/dbraw/zinc/20/14/62/1127201462.db2.gz HIUBFHOFAIQUSX-UHFFFAOYSA-N 0 1 295.430 3.553 20 0 CHADMN CN(Cc1ncc(-c2ccccc2)o1)CC(C)(C)C ZINC000588902380 1127204068 /nfs/dbraw/zinc/20/40/68/1127204068.db2.gz KRAKFTLTUJYGPF-UHFFFAOYSA-N 0 1 258.365 3.820 20 0 CHADMN Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CCC(C)(C)CC1 ZINC000588904538 1127204291 /nfs/dbraw/zinc/20/42/91/1127204291.db2.gz DKNRCEISUYIJRR-CYBMUJFWSA-N 0 1 292.398 3.583 20 0 CHADMN CN(Cc1coc(-c2cccc(F)c2)n1)CC(C)(C)C ZINC000588902607 1127204646 /nfs/dbraw/zinc/20/46/46/1127204646.db2.gz WIYVFBMZKMLWDH-UHFFFAOYSA-N 0 1 276.355 3.959 20 0 CHADMN CC[C@@H](NCC[C@@H](C)F)c1nc(C(F)(F)F)cs1 ZINC000351730481 1127206453 /nfs/dbraw/zinc/20/64/53/1127206453.db2.gz OUOOPOIODIPABO-HTQZYQBOSA-N 0 1 284.322 3.951 20 0 CHADMN CC[C@@H](C)CONC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000816980681 1131135767 /nfs/dbraw/zinc/13/57/67/1131135767.db2.gz QSUTTWBQTCEUSB-LLVKDONJSA-N 0 1 283.799 3.712 20 0 CHADMN CSCc1cnc(CN2CC[C@H](C)C[C@@H](C)C2)s1 ZINC000351759691 1127208806 /nfs/dbraw/zinc/20/88/06/1127208806.db2.gz SDVYYEOUQLXUGS-NWDGAFQWSA-N 0 1 284.494 3.874 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cnc(C)nc2)cc1C ZINC000351845074 1127211102 /nfs/dbraw/zinc/21/11/02/1127211102.db2.gz PYVQERFZHFXTMQ-SFHVURJKSA-N 0 1 281.403 3.739 20 0 CHADMN Clc1cnccc1CN1CC[C@H]1Cc1ccccc1 ZINC000351881610 1127213170 /nfs/dbraw/zinc/21/31/70/1127213170.db2.gz MIAKJNHXMHKQJV-HNNXBMFYSA-N 0 1 272.779 3.552 20 0 CHADMN CCOC1CC(CN(C)Cc2c(F)cccc2Cl)C1 ZINC000285100809 1127217320 /nfs/dbraw/zinc/21/73/20/1127217320.db2.gz HEJRLGKRXWKQPX-UHFFFAOYSA-N 0 1 285.790 3.726 20 0 CHADMN Cc1cc([C@H](C)NCCCc2cccc(Cl)c2)no1 ZINC000285162413 1127218854 /nfs/dbraw/zinc/21/88/54/1127218854.db2.gz MPPKANQQVSODMU-LBPRGKRZSA-N 0 1 278.783 3.920 20 0 CHADMN CC(C)CCOc1ccccc1CN[C@H](C)c1cn[nH]c1 ZINC000285197651 1127219381 /nfs/dbraw/zinc/21/93/81/1127219381.db2.gz NYRLZNDMFGPEEM-CQSZACIVSA-N 0 1 287.407 3.685 20 0 CHADMN CC(C)(CC[N@H+]1CCCC[C@H]1CC1CCC1)CC(=O)[O-] ZINC000659803403 1127219890 /nfs/dbraw/zinc/21/98/90/1127219890.db2.gz GYZQEHZKZWZDIZ-HNNXBMFYSA-N 0 1 281.440 3.922 20 0 CHADMN CC1=CC[C@H](NCc2ncc(-c3ccccc3)cn2)CC1 ZINC000285256777 1127220621 /nfs/dbraw/zinc/22/06/21/1127220621.db2.gz QEMXSKWFSASMTF-KRWDZBQOSA-N 0 1 279.387 3.732 20 0 CHADMN Cc1noc(C(C)(C)N[C@H]2CC[C@](C)(c3ccccc3)C2)n1 ZINC000285242151 1127220736 /nfs/dbraw/zinc/22/07/36/1127220736.db2.gz SNIZDBRXSKDIDB-YJBOKZPZSA-N 0 1 299.418 3.713 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1NCc1nccn1C ZINC000285343714 1127223579 /nfs/dbraw/zinc/22/35/79/1127223579.db2.gz AINKHXJJFGCQFH-UHFFFAOYSA-N 0 1 298.434 3.721 20 0 CHADMN CCCOc1cc(F)ccc1CN1CC[C@@](C)(CF)C1 ZINC001237903084 1131149986 /nfs/dbraw/zinc/14/99/86/1131149986.db2.gz GSHKKNXBAUMEEW-INIZCTEOSA-N 0 1 283.362 3.796 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)C1CCC(C)CC1 ZINC000572728534 1127225148 /nfs/dbraw/zinc/22/51/48/1127225148.db2.gz UGLDRLMPNKHMBC-UHFFFAOYSA-N 0 1 279.380 3.551 20 0 CHADMN Oc1ccc2c(c1)[C@@H](NCc1ccc(Cl)cn1)CCC2 ZINC000285400680 1127225894 /nfs/dbraw/zinc/22/58/94/1127225894.db2.gz XEADFAOVZSLDNC-INIZCTEOSA-N 0 1 288.778 3.608 20 0 CHADMN Cc1cc(F)ccc1CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000352424037 1127231171 /nfs/dbraw/zinc/23/11/71/1127231171.db2.gz QJWUPUVZICGCGC-SJORKVTESA-N 0 1 289.394 3.668 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1NCc1ccn(C)n1 ZINC000285413104 1127227151 /nfs/dbraw/zinc/22/71/51/1127227151.db2.gz GCJREHLUJRXVTR-UHFFFAOYSA-N 0 1 298.434 3.721 20 0 CHADMN CSCc1ccc(CNCc2cnn(C(C)C)c2)cc1 ZINC000285431480 1127227319 /nfs/dbraw/zinc/22/73/19/1127227319.db2.gz HJWNUGLJWOXISQ-UHFFFAOYSA-N 0 1 289.448 3.617 20 0 CHADMN CC(C)N(Cc1ccc(CO)cc1)Cc1ccccc1F ZINC000352426073 1127231207 /nfs/dbraw/zinc/23/12/07/1127231207.db2.gz QDRYIMROCZWEJJ-UHFFFAOYSA-N 0 1 287.378 3.729 20 0 CHADMN Cc1cc(F)ccc1CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000352424034 1127231054 /nfs/dbraw/zinc/23/10/54/1127231054.db2.gz QJWUPUVZICGCGC-DLBZAZTESA-N 0 1 289.394 3.668 20 0 CHADMN CCOC1CC2(C1)CCN(Cc1cccc(Cl)c1F)C2 ZINC000285477145 1127231498 /nfs/dbraw/zinc/23/14/98/1127231498.db2.gz LECLUIAPVGVWDL-UHFFFAOYSA-N 0 1 297.801 3.870 20 0 CHADMN Cc1ccc(F)cc1CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000352432663 1127232488 /nfs/dbraw/zinc/23/24/88/1127232488.db2.gz RHEIYNYAGSUPRV-IRXDYDNUSA-N 0 1 289.394 3.668 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2[nH]nc3ccccc32)o1 ZINC000589643298 1127232520 /nfs/dbraw/zinc/23/25/20/1127232520.db2.gz SJONPMMSLQERHI-RISCZKNCSA-N 0 1 281.359 3.569 20 0 CHADMN COc1ccccc1[C@H]1CC[C@@H](C)CN1Cc1ccno1 ZINC000285493684 1127232908 /nfs/dbraw/zinc/23/29/08/1127232908.db2.gz POZUOCGTVJFSTA-CZUORRHYSA-N 0 1 286.375 3.656 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNc2cnn(-c3ccncc3)c2)o1 ZINC000589650383 1127233065 /nfs/dbraw/zinc/23/30/65/1127233065.db2.gz NZCHWKNPNXOCLL-BLLLJJGKSA-N 0 1 294.358 3.596 20 0 CHADMN Cc1ccnc([C@H](C)N[C@@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000285533385 1127235932 /nfs/dbraw/zinc/23/59/32/1127235932.db2.gz BUSPZMZWIBESGB-IPELMVKDSA-N 0 1 296.414 3.961 20 0 CHADMN CC(C)CSCCCN[C@@H](C)c1c(F)cncc1F ZINC000285533930 1127236080 /nfs/dbraw/zinc/23/60/80/1127236080.db2.gz FOQFGYMBFBEASX-NSHDSACASA-N 0 1 288.407 3.790 20 0 CHADMN COc1ccc(CN[C@@H](c2ncc[nH]2)C2CCCCC2)cc1 ZINC000285568948 1127237883 /nfs/dbraw/zinc/23/78/83/1127237883.db2.gz HTFKMARVRBDXBA-QGZVFWFLSA-N 0 1 299.418 3.830 20 0 CHADMN Cc1ccnc([C@H](C)NCc2ccc(OC(F)F)cc2)c1 ZINC000285621114 1127239098 /nfs/dbraw/zinc/23/90/98/1127239098.db2.gz KRTGHOFOKZXMFT-LBPRGKRZSA-N 0 1 292.329 3.842 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1NCc1ncc[nH]1 ZINC000285642339 1127240213 /nfs/dbraw/zinc/24/02/13/1127240213.db2.gz XWENVTCTRJGSPI-UHFFFAOYSA-N 0 1 284.407 3.711 20 0 CHADMN COc1ccc(F)cc1CN1CCC=C(c2ccncc2)C1 ZINC000285766711 1127242499 /nfs/dbraw/zinc/24/24/99/1127242499.db2.gz RVTLVOYRUOWSNK-UHFFFAOYSA-N 0 1 298.361 3.519 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3cc[nH]c3C(C)C)ccc12 ZINC000285821110 1127243784 /nfs/dbraw/zinc/24/37/84/1127243784.db2.gz NNWBDBVIXYXELA-UHFFFAOYSA-N 0 1 282.347 3.575 20 0 CHADMN CSCc1ccc(CN[C@H](C)c2ccccn2)cc1 ZINC000285861619 1127245303 /nfs/dbraw/zinc/24/53/03/1127245303.db2.gz ZSCAPVRGVKJFOY-CYBMUJFWSA-N 0 1 272.417 3.795 20 0 CHADMN CSC[C@H]1CCCN(Cc2cscc2Cl)C1 ZINC000590053571 1127247122 /nfs/dbraw/zinc/24/71/22/1127247122.db2.gz AYEAIPRDVNFYJN-JTQLQIEISA-N 0 1 275.870 3.977 20 0 CHADMN CC(C)(C)c1csc(CN2CCC[C@]2(C)CCCO)n1 ZINC000352884108 1127248245 /nfs/dbraw/zinc/24/82/45/1127248245.db2.gz KXIORQMGOKDVCA-MRXNPFEDSA-N 0 1 296.480 3.568 20 0 CHADMN Cc1cn[nH]c1CNc1cnn(CCC(C)C)c1C(C)C ZINC000352934575 1127251821 /nfs/dbraw/zinc/25/18/21/1127251821.db2.gz HOCOIJMTDNUSFI-UHFFFAOYSA-N 0 1 289.427 3.696 20 0 CHADMN CCCN(Cc1conc1C)[C@H]1CCCc2cccnc21 ZINC000352948233 1127253327 /nfs/dbraw/zinc/25/33/27/1127253327.db2.gz RTIMYYSILIIUQY-INIZCTEOSA-N 0 1 285.391 3.668 20 0 CHADMN Cc1cc(OCCSc2ccccc2)cc(C)n1 ZINC001116647222 1131159110 /nfs/dbraw/zinc/15/91/10/1131159110.db2.gz ZFMUBLYGHMYWME-UHFFFAOYSA-N 0 1 259.374 3.870 20 0 CHADMN Cc1ccnc([C@H](C)N[C@H]2CCc3cc(F)ccc32)c1 ZINC000286087244 1127257483 /nfs/dbraw/zinc/25/74/83/1127257483.db2.gz MOZFOCUEHNWXGJ-LRDDRELGSA-N 0 1 270.351 3.867 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1c(C)nn(C)c1C ZINC000353034131 1127258524 /nfs/dbraw/zinc/25/85/24/1127258524.db2.gz LHJGTLPUOJIKEX-SDNWHVSQSA-N 0 1 283.419 3.572 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@H]2CCc3c2cccc3F)c1 ZINC000286124064 1127259088 /nfs/dbraw/zinc/25/90/88/1127259088.db2.gz OFSDYSLRIMOLEU-WBMJQRKESA-N 0 1 270.351 3.867 20 0 CHADMN Cc1n[nH]cc1CN[C@H](CCC(C)C)c1ccoc1 ZINC000286114428 1127259442 /nfs/dbraw/zinc/25/94/42/1127259442.db2.gz NFDMRADNCBOZIE-OAHLLOKOSA-N 0 1 261.369 3.578 20 0 CHADMN CCOC[C@H](NCc1csc(-c2ccoc2)n1)C(C)C ZINC000286124216 1127259506 /nfs/dbraw/zinc/25/95/06/1127259506.db2.gz MIRFQHJGOCTUJV-AWEZNQCLSA-N 0 1 294.420 3.554 20 0 CHADMN CCCCc1nc(CN2CCC[C@@H]2C2CC2)cs1 ZINC000590788265 1127272958 /nfs/dbraw/zinc/27/29/58/1127272958.db2.gz XXOCLOYYHJNYJW-CQSZACIVSA-N 0 1 264.438 3.860 20 0 CHADMN Brc1ccc(CN2CCC[C@H]2C2CC2)s1 ZINC000590788267 1127273394 /nfs/dbraw/zinc/27/33/94/1127273394.db2.gz YARJBLOUOIIWMA-NSHDSACASA-N 0 1 286.238 3.885 20 0 CHADMN CC(C)CCC[C@@H](C)NCc1nccc(C(F)F)n1 ZINC000286850980 1127274727 /nfs/dbraw/zinc/27/47/27/1127274727.db2.gz AKPZIHYYCGHHFO-LLVKDONJSA-N 0 1 271.355 3.719 20 0 CHADMN Cc1ccc([C@H]2CCCCCN2Cc2cnc(C)cn2)o1 ZINC000353807868 1127275321 /nfs/dbraw/zinc/27/53/21/1127275321.db2.gz RZMNVMSYHNBEMU-MRXNPFEDSA-N 0 1 285.391 3.804 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@@H](c1nccn1C)C1CC1 ZINC000353893255 1127276646 /nfs/dbraw/zinc/27/66/46/1127276646.db2.gz ZUJYEVHRJDOYQT-CZUORRHYSA-N 0 1 269.392 3.530 20 0 CHADMN C[C@H]1CCN(Cc2ncccc2C(F)(F)F)C[C@H]1C ZINC000353893996 1127276682 /nfs/dbraw/zinc/27/66/82/1127276682.db2.gz BPPSXNOTTWGLGQ-WDEREUQCSA-N 0 1 272.314 3.578 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@@H](c1nccn1C)C1CC1 ZINC000353893264 1127276767 /nfs/dbraw/zinc/27/67/67/1127276767.db2.gz ZUJYEVHRJDOYQT-XJKSGUPXSA-N 0 1 269.392 3.530 20 0 CHADMN Cc1ccccc1-n1nccc1CNCc1cccs1 ZINC000353932510 1127279526 /nfs/dbraw/zinc/27/95/26/1127279526.db2.gz MDVXTBBTJHJVKB-UHFFFAOYSA-N 0 1 283.400 3.532 20 0 CHADMN FC(F)(F)CC1CN(CCSCc2ccccc2)C1 ZINC000590968769 1127279868 /nfs/dbraw/zinc/27/98/68/1127279868.db2.gz JXMUJMNLJZOQDP-UHFFFAOYSA-N 0 1 289.366 3.804 20 0 CHADMN Cc1nc([C@H](C)NCC2(C(F)(F)F)CCC2)cs1 ZINC000353959347 1127281437 /nfs/dbraw/zinc/28/14/37/1127281437.db2.gz UIOFDDSMIHPHDM-QMMMGPOBSA-N 0 1 278.343 3.835 20 0 CHADMN CCn1cc(CN[C@@H]2CCCOc3cc(C)c(C)cc32)cn1 ZINC000353961360 1127281655 /nfs/dbraw/zinc/28/16/55/1127281655.db2.gz VYQIIVJRPFBVMM-QGZVFWFLSA-N 0 1 299.418 3.523 20 0 CHADMN CSCC[C@H](C)N(C)c1ccnc(C)c1Cl ZINC000354023275 1127285609 /nfs/dbraw/zinc/28/56/09/1127285609.db2.gz XYPOGKMFHVURRR-VIFPVBQESA-N 0 1 258.818 3.621 20 0 CHADMN COc1ccc2nc(S[C@@H](C)C(C)C)[nH]c2c1 ZINC000591038067 1127283423 /nfs/dbraw/zinc/28/34/23/1127283423.db2.gz KKEXTVJMNKTWQR-VIFPVBQESA-N 0 1 250.367 3.708 20 0 CHADMN Cn1cccc1CN1CC2(CCC2)[C@H]1c1ccccc1 ZINC000353974460 1127283462 /nfs/dbraw/zinc/28/34/62/1127283462.db2.gz SBMGBQPAXNQZLW-QGZVFWFLSA-N 0 1 266.388 3.752 20 0 CHADMN CC(C)[C@H](C)CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000287074242 1127286366 /nfs/dbraw/zinc/28/63/66/1127286366.db2.gz VLNNZUVPGLZYPK-MRVPVSSYSA-N 0 1 273.735 3.805 20 0 CHADMN C[C@@H]1CC/C(=C\C(=O)Nc2cc(Cl)c(O)cc2F)C1 ZINC000287074114 1127286717 /nfs/dbraw/zinc/28/67/17/1127286717.db2.gz VKPWRYOCRLDSEN-CBVZUMJXSA-N 0 1 283.730 3.870 20 0 CHADMN CC(C)[C@@H]1CCC[C@H](NCc2nccc(C(F)F)n2)C1 ZINC000287108757 1127289351 /nfs/dbraw/zinc/28/93/51/1127289351.db2.gz QLTWRKRSSLIKLH-NEPJUHHUSA-N 0 1 283.366 3.719 20 0 CHADMN CSC[C@@H]1CCCN1Cc1c(F)cccc1Cl ZINC000354107309 1127293297 /nfs/dbraw/zinc/29/32/97/1127293297.db2.gz PDEGDXFCGVHVLX-JTQLQIEISA-N 0 1 273.804 3.807 20 0 CHADMN CC(C)(C)CCCCNC(=O)c1n[nH]c2ccccc21 ZINC000591235123 1127291147 /nfs/dbraw/zinc/29/11/47/1127291147.db2.gz MFUWQHGHRUJAQU-UHFFFAOYSA-N 0 1 273.380 3.509 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000573212817 1127298487 /nfs/dbraw/zinc/29/84/87/1127298487.db2.gz KDOQHGDNXWOWHY-NSHDSACASA-N 0 1 281.783 3.660 20 0 CHADMN CCCCc1noc(CN([C@@H](C)[C@@H](C)CC)C2CC2)n1 ZINC000591474990 1127306165 /nfs/dbraw/zinc/30/61/65/1127306165.db2.gz MMYDCSHJXCWZQN-STQMWFEESA-N 0 1 279.428 3.811 20 0 CHADMN CO[C@H](C)CN(Cc1ncc(-c2cccs2)o1)C(C)C ZINC000354369957 1127304512 /nfs/dbraw/zinc/30/45/12/1127304512.db2.gz XLRUAFWGCNGYGY-GFCCVEGCSA-N 0 1 294.420 3.648 20 0 CHADMN Cc1cccc2nc(Cc3noc(C(F)=C4CCC4)n3)[nH]c21 ZINC000573316528 1127307147 /nfs/dbraw/zinc/30/71/47/1127307147.db2.gz NYHLGDWMSLWIHW-UHFFFAOYSA-N 0 1 298.321 3.710 20 0 CHADMN COc1c(Cl)ccc(F)c1CN(C)CC(C)(C)C ZINC001238342209 1131192775 /nfs/dbraw/zinc/19/27/75/1131192775.db2.gz QLTOOVLHGDJQDM-UHFFFAOYSA-N 0 1 273.779 3.966 20 0 CHADMN CCC(C)=C(C)C(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000780928995 1127312927 /nfs/dbraw/zinc/31/29/27/1127312927.db2.gz LKGVDIFIBPVDCN-VAWYXSNFSA-N 0 1 269.348 3.762 20 0 CHADMN CCO[C@@H]1C[C@@H](N(C)Cc2nc(C)cs2)C1(CC)CC ZINC000355135125 1127319269 /nfs/dbraw/zinc/31/92/69/1127319269.db2.gz NPSMXSQWTIHEAX-ZIAGYGMSSA-N 0 1 296.480 3.867 20 0 CHADMN CCO[C@H]1C[C@@H](N(C)Cc2nc(C)cs2)C1(CC)CC ZINC000355135123 1127319720 /nfs/dbraw/zinc/31/97/20/1127319720.db2.gz NPSMXSQWTIHEAX-KGLIPLIRSA-N 0 1 296.480 3.867 20 0 CHADMN CCC(C)(C)CC[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000573572485 1127319871 /nfs/dbraw/zinc/31/98/71/1127319871.db2.gz YPERSHFPDPNQQM-HZPDHXFCSA-N 0 1 289.419 3.613 20 0 CHADMN COc1ccc(CNC2(c3ccc(C)cc3)CCC2)nc1 ZINC000646131013 1127321103 /nfs/dbraw/zinc/32/11/03/1127321103.db2.gz YWZWQGYNQRJXLH-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN CCO[C@H](C)c1nc(CN2CC[C@@H]3CCC[C@H]32)cs1 ZINC000355157485 1127321594 /nfs/dbraw/zinc/32/15/94/1127321594.db2.gz BVSAJUSHHJYHIB-MBNYWOFBSA-N 0 1 280.437 3.615 20 0 CHADMN C[C@H]1CCC[C@]1(C)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000573675557 1127322684 /nfs/dbraw/zinc/32/26/84/1127322684.db2.gz OVRTZUFUKQKAKX-QFYYESIMSA-N 0 1 282.347 3.691 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@H](n2ccnc2)C1 ZINC000591869429 1127324336 /nfs/dbraw/zinc/32/43/36/1127324336.db2.gz VUESOYCOFKBIGL-JSGCOSHPSA-N 0 1 291.345 3.559 20 0 CHADMN Cc1cc(CN2C[C@H](C)O[C@@H](C3CC3)C2)cc2cccnc12 ZINC000355212798 1127325189 /nfs/dbraw/zinc/32/51/89/1127325189.db2.gz DVHCBVBRRAQMKY-KBXCAEBGSA-N 0 1 296.414 3.543 20 0 CHADMN CC(C)(C)c1cc(CN2CCC[C@H]2C2CCC2)no1 ZINC000573736050 1127328122 /nfs/dbraw/zinc/32/81/22/1127328122.db2.gz UIDSMVCHPSVECM-AWEZNQCLSA-N 0 1 262.397 3.737 20 0 CHADMN CCC(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000591992241 1127330952 /nfs/dbraw/zinc/33/09/52/1127330952.db2.gz NGZPRFGPHSRTEF-UHFFFAOYSA-N 0 1 283.306 3.718 20 0 CHADMN CCN(Cc1ncc(-c2cccc(F)c2)o1)C1CCC1 ZINC000355325784 1127333757 /nfs/dbraw/zinc/33/37/57/1127333757.db2.gz CWMTWUAZNACZLI-UHFFFAOYSA-N 0 1 274.339 3.855 20 0 CHADMN CSc1ccc(Cl)cc1CN1CCCO[C@@H](C)C1 ZINC001238671081 1131228589 /nfs/dbraw/zinc/22/85/89/1131228589.db2.gz IWLPKVUBMZXOCL-NSHDSACASA-N 0 1 285.840 3.673 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C[C@H]2CCCC[C@H]2C)c1 ZINC000543761249 1127339149 /nfs/dbraw/zinc/33/91/49/1127339149.db2.gz GJUHVEAWZIYLGK-DGCLKSJQSA-N 0 1 289.375 3.750 20 0 CHADMN CCCCCCN1CCO[C@H](c2cccs2)C1 ZINC000760955115 1127341571 /nfs/dbraw/zinc/34/15/71/1127341571.db2.gz GILHZUYLVLKCDI-ZDUSSCGKSA-N 0 1 253.411 3.702 20 0 CHADMN COc1cccc(CN[C@@H]2CCc3ccc(C)cc32)c1OC ZINC000592462084 1127351470 /nfs/dbraw/zinc/35/14/70/1127351470.db2.gz CVAIEEQDALVWBS-QGZVFWFLSA-N 0 1 297.398 3.789 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1nn(C)c3ccccc13)CC2 ZINC000592461346 1127351972 /nfs/dbraw/zinc/35/19/72/1127351972.db2.gz HBXCIROCGYMULS-KRWDZBQOSA-N 0 1 291.398 3.659 20 0 CHADMN Cc1ncccc1CNc1ccc(CN(C)C)c(Cl)c1 ZINC000355602187 1127353116 /nfs/dbraw/zinc/35/31/16/1127353116.db2.gz UILDWCWNIAMXAW-UHFFFAOYSA-N 0 1 289.810 3.717 20 0 CHADMN Cc1ccncc1CN(C)Cc1ccc(Cl)c(C)c1 ZINC000355606075 1127353949 /nfs/dbraw/zinc/35/39/49/1127353949.db2.gz KYXJUXMKKQDOSK-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN COC[C@H](NCc1cncc(C)c1)c1cccc(Cl)c1 ZINC000288662035 1127355371 /nfs/dbraw/zinc/35/53/71/1127355371.db2.gz BTUIQCGJBMXEJH-INIZCTEOSA-N 0 1 290.794 3.521 20 0 CHADMN Cn1ccc(CNCc2ccc(Oc3ccccc3)o2)c1 ZINC000355670623 1127356810 /nfs/dbraw/zinc/35/68/10/1127356810.db2.gz JEBCKAAZHIAWAA-UHFFFAOYSA-N 0 1 282.343 3.700 20 0 CHADMN Cc1nccc(NCc2ccc3ncccc3c2)c1Cl ZINC000355672921 1127357974 /nfs/dbraw/zinc/35/79/74/1127357974.db2.gz SAAWQHPSICPQKY-UHFFFAOYSA-N 0 1 283.762 3.626 20 0 CHADMN Fc1ccc(CN2CCCc3sccc3C2)cc1 ZINC000592982825 1127366250 /nfs/dbraw/zinc/36/62/50/1127366250.db2.gz QNFFHKINSTYNFU-UHFFFAOYSA-N 0 1 261.365 3.836 20 0 CHADMN Fc1ccccc1-c1n[nH]c(SCOC2CCCC2)n1 ZINC000289020224 1127370275 /nfs/dbraw/zinc/37/02/75/1127370275.db2.gz XYOGOODEIJPKCC-UHFFFAOYSA-N 0 1 293.367 3.620 20 0 CHADMN CSC1(CN(C)Cc2nc3ccccc3s2)CC1 ZINC000289110093 1127374467 /nfs/dbraw/zinc/37/44/67/1127374467.db2.gz MUBUBDMECGHGGT-UHFFFAOYSA-N 0 1 278.446 3.624 20 0 CHADMN C[C@H]1CC[N@@H+](CCc2ccc3ccccc3c2)[C@H](C(=O)[O-])C1 ZINC000574284506 1127381805 /nfs/dbraw/zinc/38/18/05/1127381805.db2.gz BNBYSQIOYJFCSU-KSSFIOAISA-N 0 1 297.398 3.567 20 0 CHADMN CCC[N@@H+](Cc1cncn1CC)Cc1ccc(C)cc1 ZINC000669489154 1127384725 /nfs/dbraw/zinc/38/47/25/1127384725.db2.gz OJFYSYBRRLMRCH-UHFFFAOYSA-N 0 1 271.408 3.624 20 0 CHADMN CCCN(Cc1cncn1CC)Cc1ccc(C)cc1 ZINC000669489154 1127384727 /nfs/dbraw/zinc/38/47/27/1127384727.db2.gz OJFYSYBRRLMRCH-UHFFFAOYSA-N 0 1 271.408 3.624 20 0 CHADMN CCC(CC)[N@H+](Cc1ccccc1CC(=O)[O-])CC(C)C ZINC000167745127 1127389406 /nfs/dbraw/zinc/38/94/06/1127389406.db2.gz HCTXXSMPZWWQMK-UHFFFAOYSA-N 0 1 291.435 3.960 20 0 CHADMN CCN(CCSC)Cc1nc(C(C)C)n2ccccc12 ZINC000593635087 1127391129 /nfs/dbraw/zinc/39/11/29/1127391129.db2.gz BTMMJHBEERYMRJ-UHFFFAOYSA-N 0 1 291.464 3.643 20 0 CHADMN FC(F)(F)[C@H]1CCN(CCc2ccccc2Cl)C1 ZINC000761039062 1127399629 /nfs/dbraw/zinc/39/96/29/1127399629.db2.gz CGZHSHCXDOTSID-NSHDSACASA-N 0 1 277.717 3.767 20 0 CHADMN FC(F)Oc1ccc(CN2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761041016 1127400671 /nfs/dbraw/zinc/40/06/71/1127400671.db2.gz KNWIHYZTITYGSB-SNVBAGLBSA-N 0 1 295.251 3.672 20 0 CHADMN Cc1ccsc1[C@@H](C)N[C@H](CO)c1cccc(F)c1 ZINC000358153567 1127405131 /nfs/dbraw/zinc/40/51/31/1127405131.db2.gz JCIFPPMQAPPVRD-BXUZGUMPSA-N 0 1 279.380 3.580 20 0 CHADMN FC(F)(F)[C@@H]1CCN(Cc2cc3ccccc3o2)C1 ZINC000761044680 1127405524 /nfs/dbraw/zinc/40/55/24/1127405524.db2.gz BPBVIKQKVPVGLL-LLVKDONJSA-N 0 1 269.266 3.817 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](CO)c2ccc(F)cc2)c(C)s1 ZINC000358182323 1127406915 /nfs/dbraw/zinc/40/69/15/1127406915.db2.gz UJDOGGHWFRDXIK-BDJLRTHQSA-N 0 1 293.407 3.888 20 0 CHADMN CC[C@@H](Cc1ccccc1)NCc1nnc(C(C)C)s1 ZINC000358282787 1127412916 /nfs/dbraw/zinc/41/29/16/1127412916.db2.gz GCJMLAFYRADDMI-AWEZNQCLSA-N 0 1 289.448 3.772 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[C@@H](C(C)(C)C)C1 ZINC000358296145 1127414166 /nfs/dbraw/zinc/41/41/66/1127414166.db2.gz SLAMORIUIMJVIY-CYBMUJFWSA-N 0 1 291.439 3.740 20 0 CHADMN CC(C)c1nnc(CN[C@@H](C)Cc2ccc(F)cc2)s1 ZINC000358307245 1127414975 /nfs/dbraw/zinc/41/49/75/1127414975.db2.gz WLSFGQDRIAXQSL-NSHDSACASA-N 0 1 293.411 3.521 20 0 CHADMN O=C(CN1CCC2(CC2)CC1)Nc1ccc2ccccc2c1 ZINC000761061903 1127415802 /nfs/dbraw/zinc/41/58/02/1127415802.db2.gz ISAHVSRCACUQTM-UHFFFAOYSA-N 0 1 294.398 3.654 20 0 CHADMN COC(=O)c1ccc2c(c1)[C@H](NCc1occc1C)CCC2 ZINC000594525148 1127421697 /nfs/dbraw/zinc/42/16/97/1127421697.db2.gz SWACJQXURZBOJD-MRXNPFEDSA-N 0 1 299.370 3.542 20 0 CHADMN Cc1ccsc1[C@H](CO)N[C@H](C)c1ccccc1F ZINC000358396712 1127419061 /nfs/dbraw/zinc/41/90/61/1127419061.db2.gz IBVYCXIFEGLWFF-RISCZKNCSA-N 0 1 279.380 3.580 20 0 CHADMN C[C@@H](N[C@@H](C)c1nccs1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000358394290 1127419281 /nfs/dbraw/zinc/41/92/81/1127419281.db2.gz GHUWTMWRSAAYTB-OZTPJHRESA-N 0 1 288.416 3.747 20 0 CHADMN FC1(F)CCC[C@@H](NCc2ccn(-c3ccccc3)n2)C1 ZINC000358504414 1127424418 /nfs/dbraw/zinc/42/44/18/1127424418.db2.gz GLZACPVUSCJACU-CYBMUJFWSA-N 0 1 291.345 3.540 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C[C@H]2CCC[C@H](C)C2)c1 ZINC000358532949 1127425310 /nfs/dbraw/zinc/42/53/10/1127425310.db2.gz VAYLLUQFQGPTHB-AAEUAGOBSA-N 0 1 289.375 3.750 20 0 CHADMN c1ccc2c(c1)SCC[C@@H]2N[C@@H]1CCc2cccnc21 ZINC000226811715 1127426318 /nfs/dbraw/zinc/42/63/18/1127426318.db2.gz JHJZTUFGPSPODJ-LSDHHAIUSA-N 0 1 282.412 3.896 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@H]1CCc2cccnc21 ZINC000226806753 1127426359 /nfs/dbraw/zinc/42/63/59/1127426359.db2.gz VBBDYZHWCPDBEB-BBRMVZONSA-N 0 1 282.387 3.737 20 0 CHADMN FC(F)(F)c1ccc(CN[C@@H]2CCc3cccnc32)cc1 ZINC000226819539 1127426880 /nfs/dbraw/zinc/42/68/80/1127426880.db2.gz XUHIZCUBGLSDEP-CQSZACIVSA-N 0 1 292.304 3.878 20 0 CHADMN c1noc(C2CC2)c1CSc1nc(-c2ccccc2)n[nH]1 ZINC000358568711 1127427180 /nfs/dbraw/zinc/42/71/80/1127427180.db2.gz SHROTSLLDCPHNN-UHFFFAOYSA-N 0 1 298.371 3.629 20 0 CHADMN Cc1c2ccccc2oc1CN[C@@H]1CCCc2nn(C)cc21 ZINC000358753365 1127433463 /nfs/dbraw/zinc/43/34/63/1127433463.db2.gz LPKKSMREQUHBJH-OAHLLOKOSA-N 0 1 295.386 3.642 20 0 CHADMN Cc1ccc(CSc2nc(-c3ccccc3)n[nH]2)c(C)n1 ZINC000358863201 1127436541 /nfs/dbraw/zinc/43/65/41/1127436541.db2.gz VEBLOQYSDCBQKO-UHFFFAOYSA-N 0 1 296.399 3.776 20 0 CHADMN COc1cc2c(cc1F)nccc2N(C)Cc1ccoc1 ZINC000358959363 1127441123 /nfs/dbraw/zinc/44/11/23/1127441123.db2.gz WXWFVYCXQVNZSK-UHFFFAOYSA-N 0 1 286.306 3.612 20 0 CHADMN Cc1ccc([C@H](N[C@@H](C)[C@@H]2CCCO2)c2ccccn2)cc1 ZINC000359012576 1127444703 /nfs/dbraw/zinc/44/47/03/1127444703.db2.gz FPBVLKYHEGLWRW-SNRMKQJTSA-N 0 1 296.414 3.637 20 0 CHADMN Cc1c(Cl)cccc1-c1cccc([C@H]2COCCN2)c1 ZINC000630061481 1127452549 /nfs/dbraw/zinc/45/25/49/1127452549.db2.gz XVBNRXNFJGTZLU-QGZVFWFLSA-N 0 1 287.790 3.976 20 0 CHADMN CC(C)[C@H](NCc1ccco1)c1ccc2[nH]c(=O)oc2c1 ZINC000359260930 1127455383 /nfs/dbraw/zinc/45/53/83/1127455383.db2.gz CWTQJKNYJVAFAX-HNNXBMFYSA-N 0 1 286.331 3.613 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1ccncc1)[C@H]2C ZINC000359292170 1127456554 /nfs/dbraw/zinc/45/65/54/1127456554.db2.gz MPMQGGGOTCWLST-KBPBESRZSA-N 0 1 282.387 3.598 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC3(C2)CCCCC3)c1 ZINC000359451366 1127463841 /nfs/dbraw/zinc/46/38/41/1127463841.db2.gz OKBXNFHMICFTHO-UHFFFAOYSA-N 0 1 297.402 3.668 20 0 CHADMN CO[C@H](CNCc1csc(-c2ccco2)n1)CC(C)C ZINC000669572391 1127464679 /nfs/dbraw/zinc/46/46/79/1127464679.db2.gz MSNHVCOKUILTQH-ZDUSSCGKSA-N 0 1 294.420 3.554 20 0 CHADMN CSCCN(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000595515108 1127464804 /nfs/dbraw/zinc/46/48/04/1127464804.db2.gz LTTJJDRMCJITPP-SECBINFHSA-N 0 1 283.828 3.572 20 0 CHADMN COc1cc2c(cc1F)nccc2N1Cc2ccccc2C1 ZINC000359487510 1127465175 /nfs/dbraw/zinc/46/51/75/1127465175.db2.gz VLLRGZGNOMLZTM-UHFFFAOYSA-N 0 1 294.329 3.903 20 0 CHADMN COc1cc2c(cc1F)nccc2NCc1ncccc1C ZINC000359493657 1127465250 /nfs/dbraw/zinc/46/52/50/1127465250.db2.gz QNOWWSKEJCXIQJ-UHFFFAOYSA-N 0 1 297.333 3.698 20 0 CHADMN COC(=O)c1ccc(CN2C[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000595565622 1127465761 /nfs/dbraw/zinc/46/57/61/1127465761.db2.gz CAFHVLZVDLYHIJ-WFASDCNBSA-N 0 1 293.794 3.501 20 0 CHADMN Cc1csc2c1ncnc2NCc1coc2ccccc12 ZINC000359510739 1127465871 /nfs/dbraw/zinc/46/58/71/1127465871.db2.gz KFGILHWKEUDHAL-UHFFFAOYSA-N 0 1 295.367 3.780 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359539056 1127466816 /nfs/dbraw/zinc/46/68/16/1127466816.db2.gz BKHGXELIOPMHSY-XHBSWPGZSA-N 0 1 275.396 3.520 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@H](C)c1cnc(C)nc1C ZINC000359604453 1127469405 /nfs/dbraw/zinc/46/94/05/1127469405.db2.gz WLBLHLVZVQIKFX-VXGBXAGGSA-N 0 1 285.391 3.514 20 0 CHADMN Cc1nc(C[N@@H+](C)C[C@H]2CCc3ccccc3C2)cs1 ZINC000359597996 1127469445 /nfs/dbraw/zinc/46/94/45/1127469445.db2.gz ORCKATCIBFKXCD-AWEZNQCLSA-N 0 1 286.444 3.688 20 0 CHADMN Cc1nc(CN(C)C[C@H]2CCc3ccccc3C2)cs1 ZINC000359597996 1127469447 /nfs/dbraw/zinc/46/94/47/1127469447.db2.gz ORCKATCIBFKXCD-AWEZNQCLSA-N 0 1 286.444 3.688 20 0 CHADMN CCN(CCCCC(F)(F)F)[C@@H](C)C(=O)OC(C)(C)C ZINC000595607141 1127470597 /nfs/dbraw/zinc/47/05/97/1127470597.db2.gz UBDMCGRCLYHPFT-NSHDSACASA-N 0 1 297.361 3.771 20 0 CHADMN CCO[C@H](C)c1noc(CN(C)C2CCCCCCC2)n1 ZINC000076724216 1127471244 /nfs/dbraw/zinc/47/12/44/1127471244.db2.gz MXNBVLRLJGXMCZ-CYBMUJFWSA-N 0 1 295.427 3.712 20 0 CHADMN CC(C)CC[C@@H](C)NCc1occc1Br ZINC000227363157 1127472853 /nfs/dbraw/zinc/47/28/53/1127472853.db2.gz QNWRXYVEXNLIPV-SNVBAGLBSA-N 0 1 274.202 3.956 20 0 CHADMN CC(C)SCCN1CC[C@@H]1c1ccc(F)cc1 ZINC000595701210 1127473214 /nfs/dbraw/zinc/47/32/14/1127473214.db2.gz DTUXYDXIZGKSTJ-CQSZACIVSA-N 0 1 253.386 3.714 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CC[C@H](SC)C1 ZINC001308786856 1127476890 /nfs/dbraw/zinc/47/68/90/1127476890.db2.gz IBDGGEAJRITVHI-ZDUSSCGKSA-N 0 1 285.840 3.676 20 0 CHADMN Cc1ccc(CN2CCc3sccc3[C@@H]2C)c(C)n1 ZINC000359850143 1127480172 /nfs/dbraw/zinc/48/01/72/1127480172.db2.gz JHMJQHMRMGIUQO-ZDUSSCGKSA-N 0 1 272.417 3.879 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCC(=O)c2ccc(C)cc2)on1 ZINC000359854734 1127480368 /nfs/dbraw/zinc/48/03/68/1127480368.db2.gz QKJRYLQCJOCULX-INIZCTEOSA-N 0 1 298.386 3.701 20 0 CHADMN Cc1cc([C@H]2CCCN2CCC(=O)c2ccc(C)cc2)on1 ZINC000359854739 1127480499 /nfs/dbraw/zinc/48/04/99/1127480499.db2.gz QKJRYLQCJOCULX-MRXNPFEDSA-N 0 1 298.386 3.701 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H](C)c2cccc3ccccc32)c1C ZINC000359878381 1127481845 /nfs/dbraw/zinc/48/18/45/1127481845.db2.gz PEOLOZMDPSSDEN-ZDUSSCGKSA-N 0 1 293.370 3.671 20 0 CHADMN Cc1noc([C@H](C)N[C@H](C)CCC2CCCCC2)n1 ZINC000360069595 1127488091 /nfs/dbraw/zinc/48/80/91/1127488091.db2.gz QOPOMUBHSLUNEL-NEPJUHHUSA-N 0 1 265.401 3.778 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2ccc(F)c(C)c2)n1 ZINC000360163702 1127491389 /nfs/dbraw/zinc/49/13/89/1127491389.db2.gz DHRHOTSDKVUROD-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(C(C)C)nc1 ZINC000360433601 1127498806 /nfs/dbraw/zinc/49/88/06/1127498806.db2.gz MEBTYZPCDBAGLR-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(F)c(C)c1 ZINC000360433416 1127498876 /nfs/dbraw/zinc/49/88/76/1127498876.db2.gz JYDRRBAQGJIKTE-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCCC[C@@H](C)C1 ZINC000360604611 1127502930 /nfs/dbraw/zinc/50/29/30/1127502930.db2.gz LGYJNXULAMYCJJ-NEPJUHHUSA-N 0 1 291.420 3.981 20 0 CHADMN C[C@@H](c1nnc(-c2cccs2)o1)N1CCCC[C@@H](C)C1 ZINC000360604611 1127502932 /nfs/dbraw/zinc/50/29/32/1127502932.db2.gz LGYJNXULAMYCJJ-NEPJUHHUSA-N 0 1 291.420 3.981 20 0 CHADMN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000360690518 1127506276 /nfs/dbraw/zinc/50/62/76/1127506276.db2.gz RZCYHLOYYYVLRW-WCQYABFASA-N 0 1 289.423 3.574 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1CCc2ccc(C)cc21 ZINC000293588641 1127507541 /nfs/dbraw/zinc/50/75/41/1127507541.db2.gz COKOZPXWYMBGNG-QGZVFWFLSA-N 0 1 270.376 3.631 20 0 CHADMN CC(C)C[C@H]1OCCC[C@@H]1NCc1nc(C2CC2)cs1 ZINC000360724606 1127508355 /nfs/dbraw/zinc/50/83/55/1127508355.db2.gz DALFRNXIHXVREU-DZGCQCFKSA-N 0 1 294.464 3.704 20 0 CHADMN CCc1noc(C)c1CN[C@@H](C)c1ccc(OC)c(C)c1 ZINC000293602228 1127508477 /nfs/dbraw/zinc/50/84/77/1127508477.db2.gz DMYUBFUVDYPXHL-LBPRGKRZSA-N 0 1 288.391 3.713 20 0 CHADMN Cc1nc(C(C)C)ccc1C[N@H+](C(C)C)[C@H]1CCOC1 ZINC000293649308 1127510898 /nfs/dbraw/zinc/51/08/98/1127510898.db2.gz SIVNDAQAHMWXIY-INIZCTEOSA-N 0 1 276.424 3.513 20 0 CHADMN COc1cc(CNCc2cccc(F)c2F)ccc1C ZINC000596670782 1127512456 /nfs/dbraw/zinc/51/24/56/1127512456.db2.gz CCNKUAAUJOWBID-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN Cc1nocc1CNC(C)(C)c1ccc(Cl)cc1 ZINC000293686597 1127512778 /nfs/dbraw/zinc/51/27/78/1127512778.db2.gz VZRUINOOLCZQIZ-UHFFFAOYSA-N 0 1 264.756 3.661 20 0 CHADMN Cc1cc(CN[C@H](C)Cc2ccccc2C(F)(F)F)no1 ZINC000360839256 1127514629 /nfs/dbraw/zinc/51/46/29/1127514629.db2.gz WXSWREXGCLQXGA-SNVBAGLBSA-N 0 1 298.308 3.723 20 0 CHADMN C[C@@H](N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cscn1 ZINC000293737773 1127516671 /nfs/dbraw/zinc/51/66/71/1127516671.db2.gz OYLDHMASKLXRSJ-MPKXVKKWSA-N 0 1 276.380 3.879 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1occc1C)CCS2 ZINC000293734291 1127516884 /nfs/dbraw/zinc/51/68/84/1127516884.db2.gz QHILSAYIPMFYBM-AWEZNQCLSA-N 0 1 289.400 3.923 20 0 CHADMN COc1cc(CNc2nc3cc(C)ccc3[nH]2)cc(OC)c1 ZINC001203478660 1127528982 /nfs/dbraw/zinc/52/89/82/1127528982.db2.gz GTEHMJZGAJFKMY-UHFFFAOYSA-N 0 1 297.358 3.501 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2CCCO[C@H]2CC(C)C)cs1 ZINC000360984607 1127526280 /nfs/dbraw/zinc/52/62/80/1127526280.db2.gz FHTCPIBZTKPNGK-LNSITVRQSA-N 0 1 282.453 3.696 20 0 CHADMN COC1(CN[C@H](C)c2csc(C)n2)CCC(C)CC1 ZINC000360986144 1127526473 /nfs/dbraw/zinc/52/64/73/1127526473.db2.gz JSNVPJYSJZPYGW-MQYJIDSJSA-N 0 1 282.453 3.697 20 0 CHADMN COc1ccc(F)c(CN[C@@H](C)c2cccs2)c1 ZINC000293943681 1127535271 /nfs/dbraw/zinc/53/52/71/1127535271.db2.gz BGONDHCJIXYNDP-JTQLQIEISA-N 0 1 265.353 3.747 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1ncc(C)c(OC)c1C ZINC000361118255 1127539290 /nfs/dbraw/zinc/53/92/90/1127539290.db2.gz AOZSVHXQQSPUOP-CQSZACIVSA-N 0 1 299.418 3.515 20 0 CHADMN Cc1c2ccccc2oc1[C@@H](NCc1cn[nH]c1)C(C)C ZINC000601775443 1127544719 /nfs/dbraw/zinc/54/47/19/1127544719.db2.gz TWTSFRLFTATIKD-INIZCTEOSA-N 0 1 283.375 3.951 20 0 CHADMN CC[C@@H](N[C@H](C)c1cccc(O)c1)c1c(C)nn(C)c1C ZINC000361183978 1127545537 /nfs/dbraw/zinc/54/55/37/1127545537.db2.gz HWZYENMRUZITEI-BDJLRTHQSA-N 0 1 287.407 3.544 20 0 CHADMN COc1ccncc1CN[C@H]1CCCc2ccc(C)cc21 ZINC000294106930 1127549476 /nfs/dbraw/zinc/54/94/76/1127549476.db2.gz JUJVFXSRNTZVOK-KRWDZBQOSA-N 0 1 282.387 3.566 20 0 CHADMN CN(Cc1nc2ccc(Br)cc2o1)C1CCC1 ZINC000361323206 1127556838 /nfs/dbraw/zinc/55/68/38/1127556838.db2.gz DMYWURWPIXLNIV-UHFFFAOYSA-N 0 1 295.180 3.575 20 0 CHADMN C[C@@H]1CCN(Cc2cncc(C(F)(F)F)c2)C[C@@H]1C ZINC000361348205 1127558668 /nfs/dbraw/zinc/55/86/68/1127558668.db2.gz INVHSMVQNDYBPX-MNOVXSKESA-N 0 1 272.314 3.578 20 0 CHADMN C[N@@H+](CCc1ccccc1C(=O)[O-])C1CCCCCCC1 ZINC000228516544 1127563609 /nfs/dbraw/zinc/56/36/09/1127563609.db2.gz AYANITFPIRDWAF-UHFFFAOYSA-N 0 1 289.419 3.972 20 0 CHADMN CN(Cc1nc(-c2ccsc2)no1)[C@@H]1CCC(C)(C)C1 ZINC000361471336 1127565871 /nfs/dbraw/zinc/56/58/71/1127565871.db2.gz ZDYCTARJDNLNFQ-GFCCVEGCSA-N 0 1 291.420 3.809 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CC(C3CCCCC3)C2)[nH]1 ZINC000294344393 1127566607 /nfs/dbraw/zinc/56/66/07/1127566607.db2.gz QJTZSLZJQVNIHB-UHFFFAOYSA-N 0 1 297.402 3.524 20 0 CHADMN C[C@@H]1CCC[C@H]([N@@H+](C)Cc2nccn2-c2ccccc2)C1 ZINC000361509347 1127568128 /nfs/dbraw/zinc/56/81/28/1127568128.db2.gz UNXIPCKKUVYBHR-WBVHZDCISA-N 0 1 283.419 3.883 20 0 CHADMN C[C@@H]1CCC[C@H](N(C)Cc2nccn2-c2ccccc2)C1 ZINC000361509347 1127568130 /nfs/dbraw/zinc/56/81/30/1127568130.db2.gz UNXIPCKKUVYBHR-WBVHZDCISA-N 0 1 283.419 3.883 20 0 CHADMN CC1=CC[C@@H](N[C@@H](c2nccn2C)c2cccc(F)c2)CC1 ZINC000294383587 1127568800 /nfs/dbraw/zinc/56/88/00/1127568800.db2.gz UZCUENUQISQRRU-IAGOWNOFSA-N 0 1 299.393 3.737 20 0 CHADMN COc1c(CN(C)C2CC2)cccc1OCc1ccccc1 ZINC001238744735 1131239893 /nfs/dbraw/zinc/23/98/93/1131239893.db2.gz NAJNWEKROYQTPV-UHFFFAOYSA-N 0 1 297.398 3.868 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2CCCc3ccc(C)cc32)nn1C ZINC000294420541 1127573033 /nfs/dbraw/zinc/57/30/33/1127573033.db2.gz UHJOKZYTTZJJHG-YOEHRIQHSA-N 0 1 283.419 3.765 20 0 CHADMN CCS[C@@H](C)c1noc(CN(CC2CC2)C2CCC2)n1 ZINC000361582969 1127574489 /nfs/dbraw/zinc/57/44/89/1127574489.db2.gz KMJYPFNBKIDNRI-NSHDSACASA-N 0 1 295.452 3.648 20 0 CHADMN C[C@H]1CCc2nc(CN3CCSCC[C@H]3C)sc2C1 ZINC000361647647 1127579345 /nfs/dbraw/zinc/57/93/45/1127579345.db2.gz ZJVNKNNTLZQZGC-NWDGAFQWSA-N 0 1 296.505 3.595 20 0 CHADMN C[C@@H]1CCc2nc(CN3CCSCC[C@@H]3C)sc2C1 ZINC000361647646 1127579614 /nfs/dbraw/zinc/57/96/14/1127579614.db2.gz ZJVNKNNTLZQZGC-NEPJUHHUSA-N 0 1 296.505 3.595 20 0 CHADMN Cc1oc2ccccc2c1CCNc1nc(C2CC2)ns1 ZINC000361758274 1127587076 /nfs/dbraw/zinc/58/70/76/1127587076.db2.gz XPPMYCZBWXFNTP-UHFFFAOYSA-N 0 1 299.399 3.547 20 0 CHADMN CC[C@H](N[C@@H]1CCOc2ccc(F)cc21)c1ccncc1 ZINC000361753614 1127587162 /nfs/dbraw/zinc/58/71/62/1127587162.db2.gz KWHVBTQKFYCNRR-JKSUJKDBSA-N 0 1 286.350 3.785 20 0 CHADMN Cc1nc2c(s1)[C@@H](N(C)Cc1ccncc1C)CCC2 ZINC000294685341 1127591378 /nfs/dbraw/zinc/59/13/78/1127591378.db2.gz DLIVPUJKCCDBOM-HNNXBMFYSA-N 0 1 287.432 3.664 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccccc1)c1ccccc1F ZINC000361885017 1127596871 /nfs/dbraw/zinc/59/68/71/1127596871.db2.gz GVMRHUWPTONCLW-GUYCJALGSA-N 0 1 273.351 3.600 20 0 CHADMN Cc1ccccc1[C@@H](N)C(=O)Nc1ccccc1C(C)(C)C ZINC000294782552 1127598702 /nfs/dbraw/zinc/59/87/02/1127598702.db2.gz NWDNEUPLIDHRTK-QGZVFWFLSA-N 0 1 296.414 3.931 20 0 CHADMN COc1ccc(CN2CCC(SC)CC2)cc1Cl ZINC000602725038 1127609484 /nfs/dbraw/zinc/60/94/84/1127609484.db2.gz IJUXVSVHGMEZQY-UHFFFAOYSA-N 0 1 285.840 3.676 20 0 CHADMN C[C@@H](CN(C)Cc1cc(F)ncc1F)c1ccccc1 ZINC000294967628 1127611005 /nfs/dbraw/zinc/61/10/05/1127611005.db2.gz WMEQWBMPJVLHGN-LBPRGKRZSA-N 0 1 276.330 3.595 20 0 CHADMN CC(C)[C@H]1CN(Cc2cscc2Cl)CCCO1 ZINC000646300578 1127616197 /nfs/dbraw/zinc/61/61/97/1127616197.db2.gz ZFQJVLNOKUPESC-CYBMUJFWSA-N 0 1 273.829 3.648 20 0 CHADMN CN(Cc1cccs1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000295008352 1127614213 /nfs/dbraw/zinc/61/42/13/1127614213.db2.gz JDFJAHCFKRTTGI-AWEZNQCLSA-N 0 1 281.808 3.567 20 0 CHADMN C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1ccsc1 ZINC000295117427 1127621174 /nfs/dbraw/zinc/62/11/74/1127621174.db2.gz WWYCEJDEGCUTSL-MWLCHTKSSA-N 0 1 263.328 3.911 20 0 CHADMN CSC1CCN(Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000602922583 1127622603 /nfs/dbraw/zinc/62/26/03/1127622603.db2.gz JWXQYJFEVYBLNZ-UHFFFAOYSA-N 0 1 294.464 3.586 20 0 CHADMN CCCC[C@@H](C)[C@H](C)NCc1ncc(C(F)(F)F)cn1 ZINC000295136525 1127622950 /nfs/dbraw/zinc/62/29/50/1127622950.db2.gz ZEEGRTOAOYEYED-MNOVXSKESA-N 0 1 289.345 3.800 20 0 CHADMN CCC1(C)CCN(Cc2ccnc(Cl)c2)CC1 ZINC000060941589 1127624834 /nfs/dbraw/zinc/62/48/34/1127624834.db2.gz MMEUBLMAHIWUDJ-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CC[C@@H](O)CC(C)(C)C1 ZINC000295198427 1127626772 /nfs/dbraw/zinc/62/67/72/1127626772.db2.gz BNYVYSCAQJSFCS-WCQYABFASA-N 0 1 283.362 3.509 20 0 CHADMN CCn1ccnc1[C@@H](C)NCc1cccc2ccccc21 ZINC000295217874 1127628537 /nfs/dbraw/zinc/62/85/37/1127628537.db2.gz MITBCTBTFGVISV-CQSZACIVSA-N 0 1 279.387 3.907 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@@H](C)n3ccnc31)[C@H](C)C2 ZINC000295231017 1127629176 /nfs/dbraw/zinc/62/91/76/1127629176.db2.gz NYDHZUCUBOSVBX-BQGCOEIASA-N 0 1 281.403 3.720 20 0 CHADMN FC1(F)CC(C[N@H+]2CCCn3c(cc4ccccc43)C2)C1 ZINC000295246954 1127629840 /nfs/dbraw/zinc/62/98/40/1127629840.db2.gz VXAJZWRMQGMSGT-UHFFFAOYSA-N 0 1 290.357 3.892 20 0 CHADMN FC1(F)CC(CN2CCCn3c(cc4ccccc43)C2)C1 ZINC000295246954 1127629841 /nfs/dbraw/zinc/62/98/41/1127629841.db2.gz VXAJZWRMQGMSGT-UHFFFAOYSA-N 0 1 290.357 3.892 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1CCCCC1(F)F ZINC000295307642 1127634028 /nfs/dbraw/zinc/63/40/28/1127634028.db2.gz FVOWSCNPMISWMZ-LLVKDONJSA-N 0 1 293.317 3.635 20 0 CHADMN C[C@@H]1CN(Cc2csc(C3CCCC3)n2)C[C@H]1C ZINC000362432296 1127635852 /nfs/dbraw/zinc/63/58/52/1127635852.db2.gz YSEHDPNFIQTFND-VXGBXAGGSA-N 0 1 264.438 3.889 20 0 CHADMN Cc1cc(CNc2ccc3c(c2)CN(C)C3)cs1 ZINC000295399836 1127641115 /nfs/dbraw/zinc/64/11/15/1127641115.db2.gz LZEMCIVWAAFZED-UHFFFAOYSA-N 0 1 258.390 3.614 20 0 CHADMN Cc1cnccc1CN[C@H]1CCCOc2cc(F)ccc21 ZINC000295545864 1127646336 /nfs/dbraw/zinc/64/63/36/1127646336.db2.gz XVITWGPHUJBZLS-INIZCTEOSA-N 0 1 286.350 3.533 20 0 CHADMN FC1(F)CC(CN[C@H](c2nccs2)c2ccccc2)C1 ZINC000295687687 1127650345 /nfs/dbraw/zinc/65/03/45/1127650345.db2.gz NKEKLYCDFSDAEO-ZDUSSCGKSA-N 0 1 294.370 3.867 20 0 CHADMN Cc1cc(Cl)c(NC(=O)C23CCCN2CCC3)cc1C ZINC000295780048 1127652654 /nfs/dbraw/zinc/65/26/54/1127652654.db2.gz CWBRJKVSCYKVEF-UHFFFAOYSA-N 0 1 292.810 3.524 20 0 CHADMN CC[C@H](NCc1ccncc1C)c1cc(F)ccc1F ZINC000295822456 1127654193 /nfs/dbraw/zinc/65/41/93/1127654193.db2.gz UVJXYZDCWANTAN-INIZCTEOSA-N 0 1 276.330 3.909 20 0 CHADMN C[C@@H]1CCN(Cc2cn3ccsc3n2)[C@@H]2CCCC[C@@H]12 ZINC000603555518 1127658033 /nfs/dbraw/zinc/65/80/33/1127658033.db2.gz RNSTXPSAFCKAEY-VHDGCEQUSA-N 0 1 289.448 3.796 20 0 CHADMN CC(=O)c1cccc(CN2CC[C@H](CC(F)(F)F)C2)c1 ZINC000296015474 1127660304 /nfs/dbraw/zinc/66/03/04/1127660304.db2.gz NTUHANRDMHZEHZ-CYBMUJFWSA-N 0 1 285.309 3.664 20 0 CHADMN C[C@H](NCc1ccccc1OC1CC1)c1cccc(O)c1 ZINC000296048900 1127662012 /nfs/dbraw/zinc/66/20/12/1127662012.db2.gz QGJJQNUYHJIQHH-ZDUSSCGKSA-N 0 1 283.371 3.784 20 0 CHADMN CC(F)(F)CCCNCc1ncc(C(F)(F)F)s1 ZINC000296168926 1127664223 /nfs/dbraw/zinc/66/42/23/1127664223.db2.gz XBBVPPJNTIEYQV-UHFFFAOYSA-N 0 1 288.285 3.687 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2csc3ccccc23)[C@@H](C(=O)[O-])C1 ZINC000229305820 1127670719 /nfs/dbraw/zinc/67/07/19/1127670719.db2.gz CXHBDDUZZJBIEE-BXUZGUMPSA-N 0 1 289.400 3.586 20 0 CHADMN CSCCCN(C)Cc1coc(-c2ccccc2F)n1 ZINC000599397947 1127670840 /nfs/dbraw/zinc/67/08/40/1127670840.db2.gz VRRZYSPOZOMBBD-UHFFFAOYSA-N 0 1 294.395 3.666 20 0 CHADMN C[C@@H]1C[C@H](NCc2nc3cc(Cl)ccc3s2)[C@@H](C)O1 ZINC000296426381 1127671717 /nfs/dbraw/zinc/67/17/17/1127671717.db2.gz MXMUJTHTGOPTRZ-KKZNHRDASA-N 0 1 296.823 3.605 20 0 CHADMN Cc1ccc([C@@H](NCc2cc(F)ncc2F)C2CC2)cc1 ZINC000296476788 1127672835 /nfs/dbraw/zinc/67/28/35/1127672835.db2.gz PTPFDICAIZPMOA-QGZVFWFLSA-N 0 1 288.341 3.909 20 0 CHADMN CC(C)c1nnc(CN[C@H]2C[C@@H](c3ccccc3)C2(C)C)[nH]1 ZINC000296564289 1127676127 /nfs/dbraw/zinc/67/61/27/1127676127.db2.gz SKMNGYZBCASRBE-GJZGRUSLSA-N 0 1 298.434 3.600 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2csc(C)c2)n[nH]1 ZINC000297033352 1127688027 /nfs/dbraw/zinc/68/80/27/1127688027.db2.gz XOAQVBNUIDHMNV-GXSJLCMTSA-N 0 1 278.425 3.539 20 0 CHADMN Cc1cc(CN2CC3(CSC3)C2)cc(C)c1OC(C)C ZINC001238752600 1131240440 /nfs/dbraw/zinc/24/04/40/1131240440.db2.gz ATLNPJFGGRQBMA-UHFFFAOYSA-N 0 1 291.460 3.639 20 0 CHADMN Cc1cccn2cc(C[N@@H+]3CCC[C@@H](C(C)C)CC3)nc12 ZINC000604053838 1127691534 /nfs/dbraw/zinc/69/15/34/1127691534.db2.gz SYCLSRJMPNTDOI-MRXNPFEDSA-N 0 1 285.435 3.901 20 0 CHADMN Cc1cccn2cc(C[N@@H+]3CCC[C@H](C(C)C)CC3)nc12 ZINC000604053836 1127691882 /nfs/dbraw/zinc/69/18/82/1127691882.db2.gz SYCLSRJMPNTDOI-INIZCTEOSA-N 0 1 285.435 3.901 20 0 CHADMN CC(C)n1ncnc1CN(C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297424259 1127695980 /nfs/dbraw/zinc/69/59/80/1127695980.db2.gz FADWEJNIBFKFDM-DLBZAZTESA-N 0 1 298.434 3.627 20 0 CHADMN CCc1cccc(CN[C@@H](C)c2cn3ccccc3n2)c1 ZINC000655780930 1127696772 /nfs/dbraw/zinc/69/67/72/1127696772.db2.gz RFYMPIQTYWVWBT-AWEZNQCLSA-N 0 1 279.387 3.748 20 0 CHADMN Cc1noc([C@H](C)N[C@H](CCC(C)C)C(C)(C)C)n1 ZINC000604413818 1127704676 /nfs/dbraw/zinc/70/46/76/1127704676.db2.gz IXQLNTSHKGMFCD-WCQYABFASA-N 0 1 267.417 3.880 20 0 CHADMN CC[C@@H]1COCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000604396403 1127704716 /nfs/dbraw/zinc/70/47/16/1127704716.db2.gz ALOUIDWVSGUZGI-LJQANCHMSA-N 0 1 281.399 3.964 20 0 CHADMN CC(C)(N[C@@H]1CCC[C@@H](c2cccnc2)C1)C(F)F ZINC000669713690 1127702748 /nfs/dbraw/zinc/70/27/48/1127702748.db2.gz VXAWMXHAQFXLAT-DGCLKSJQSA-N 0 1 268.351 3.741 20 0 CHADMN CSCCNCc1csc(-c2ccc(Cl)cc2)n1 ZINC000604478506 1127706590 /nfs/dbraw/zinc/70/65/90/1127706590.db2.gz OLHOGJMRWUTBNE-UHFFFAOYSA-N 0 1 298.864 3.916 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1nc(Cl)ccc1Cl ZINC000061630424 1127706834 /nfs/dbraw/zinc/70/68/34/1127706834.db2.gz OTBMEFXHZDBQOP-QMMMGPOBSA-N 0 1 259.180 3.619 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H](C)c1cc(C)cc(C)c1 ZINC000297766081 1127707503 /nfs/dbraw/zinc/70/75/03/1127707503.db2.gz OYQCKRAKRUQQPN-CABCVRRESA-N 0 1 271.408 3.932 20 0 CHADMN Cc1ccccc1[C@]1(F)CCN(Cc2ccc(O)cc2)C1 ZINC000669717590 1127709298 /nfs/dbraw/zinc/70/92/98/1127709298.db2.gz HTVZYYNHMXTHHF-SFHVURJKSA-N 0 1 285.362 3.771 20 0 CHADMN C[C@@H](Sc1nc(C(C)(C)C)n[nH]1)c1ccccc1 ZINC000298099099 1127715032 /nfs/dbraw/zinc/71/50/32/1127715032.db2.gz QIIDIXHRIKFVBC-SNVBAGLBSA-N 0 1 261.394 3.956 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1cccnc1 ZINC000298298457 1127718632 /nfs/dbraw/zinc/71/86/32/1127718632.db2.gz VMJCUMOEKVOVDM-LBPRGKRZSA-N 0 1 260.768 3.928 20 0 CHADMN CCCC[C@H](CC)CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000604976248 1127723455 /nfs/dbraw/zinc/72/34/55/1127723455.db2.gz DBJPCBXJQPDSKL-NSHDSACASA-N 0 1 290.367 3.610 20 0 CHADMN O=C(Nc1ccccc1F)[C@H]1CCCCN1C1CCCC1 ZINC000365240048 1127724510 /nfs/dbraw/zinc/72/45/10/1127724510.db2.gz DJJURRIFOOHPAQ-MRXNPFEDSA-N 0 1 290.382 3.561 20 0 CHADMN CC[C@@H]1CCCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000604998830 1127725045 /nfs/dbraw/zinc/72/50/45/1127725045.db2.gz GDVBLWCGTXIMJI-GFCCVEGCSA-N 0 1 291.420 3.810 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCCOC(C)(C)C1 ZINC000604999969 1127725232 /nfs/dbraw/zinc/72/52/32/1127725232.db2.gz CBYSTPHELVIZCC-NSHDSACASA-N 0 1 269.335 3.527 20 0 CHADMN CCCCN(C(=O)c1cc(-c2cccs2)[nH]n1)C1CC1 ZINC000298603364 1127727187 /nfs/dbraw/zinc/72/71/87/1127727187.db2.gz WDTWLNZBUWUKNE-UHFFFAOYSA-N 0 1 289.404 3.543 20 0 CHADMN C[C@@H]1CCC[C@@H](Sc2nc(C(C)(C)C)n[nH]2)C1 ZINC000605077041 1127728240 /nfs/dbraw/zinc/72/82/40/1127728240.db2.gz WONZBXYHMCSXIR-NXEZZACHSA-N 0 1 253.415 3.773 20 0 CHADMN C[C@@H]1CCC[C@@H](Sc2n[nH]c(C(C)(C)C)n2)C1 ZINC000605077041 1127728244 /nfs/dbraw/zinc/72/82/44/1127728244.db2.gz WONZBXYHMCSXIR-NXEZZACHSA-N 0 1 253.415 3.773 20 0 CHADMN C[C@@H](c1cccnc1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000299076153 1127739972 /nfs/dbraw/zinc/73/99/72/1127739972.db2.gz XEHJEXYBHIRROY-HNNXBMFYSA-N 0 1 294.398 3.738 20 0 CHADMN CCc1noc(C)c1CN1CC=C(c2ccc(O)cc2)CC1 ZINC000365946608 1127741466 /nfs/dbraw/zinc/74/14/66/1127741466.db2.gz NDZDPXNYYCFWHB-UHFFFAOYSA-N 0 1 298.386 3.540 20 0 CHADMN Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cc2ccnc(C)n2)c1 ZINC000366466657 1127746708 /nfs/dbraw/zinc/74/67/08/1127746708.db2.gz QVCOSYALGQWQGO-SFHVURJKSA-N 0 1 281.403 3.739 20 0 CHADMN Cc1nccc(CN2C[C@H]3CCCC[C@@]32c2ccccc2)n1 ZINC000366490086 1127746956 /nfs/dbraw/zinc/74/69/56/1127746956.db2.gz QJHJDEJQVRCTAO-IEBWSBKVSA-N 0 1 293.414 3.686 20 0 CHADMN C[C@@H](NC[C@H]1CC[C@H](c2ccccc2)O1)c1nccs1 ZINC000367319308 1127752943 /nfs/dbraw/zinc/75/29/43/1127752943.db2.gz VAMXWESEZSEJIL-BPLDGKMQSA-N 0 1 288.416 3.714 20 0 CHADMN Cc1nc([C@H]2CCC[N@@H+](Cc3ccc4occc4c3)C2)no1 ZINC000368013544 1127756414 /nfs/dbraw/zinc/75/64/14/1127756414.db2.gz BPCKMVCXKVHUHY-HNNXBMFYSA-N 0 1 297.358 3.504 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC2(CC2)CC1 ZINC000368426131 1127757566 /nfs/dbraw/zinc/75/75/66/1127757566.db2.gz UQKLNBQEKDIYIF-HNNXBMFYSA-N 0 1 286.419 3.506 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1nnc(C(C)C)o1 ZINC000606433938 1127761766 /nfs/dbraw/zinc/76/17/66/1127761766.db2.gz DATZQQSIWGGECG-OLZOCXBDSA-N 0 1 265.401 3.594 20 0 CHADMN CC(C)(C)c1cnc(CN2C[C@@H]3CCCC[C@@H]3C2)o1 ZINC000409445760 1127769614 /nfs/dbraw/zinc/76/96/14/1127769614.db2.gz ZNXYGQAGZRVXKF-BETUJISGSA-N 0 1 262.397 3.594 20 0 CHADMN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2ncc(C(C)(C)C)o2)C1 ZINC000409445942 1127770699 /nfs/dbraw/zinc/77/06/99/1127770699.db2.gz CUUNSZUPUNPLOA-FRRDWIJNSA-N 0 1 264.413 3.839 20 0 CHADMN Cc1ncc(CNCc2ccc(-c3ccncc3)cc2)s1 ZINC000371763253 1127777556 /nfs/dbraw/zinc/77/75/56/1127777556.db2.gz WNAIXEKDKIWXOV-UHFFFAOYSA-N 0 1 295.411 3.803 20 0 CHADMN Brc1ccc(CN2CCC[C@@H]3CCC[C@H]32)[nH]1 ZINC001232688638 1127785466 /nfs/dbraw/zinc/78/54/66/1127785466.db2.gz XXZKNNQQEGGUOQ-CMPLNLGQSA-N 0 1 283.213 3.542 20 0 CHADMN CCCc1cc(C(=O)N2CCCCC[C@H]2CC(C)C)n[nH]1 ZINC000607129786 1127791576 /nfs/dbraw/zinc/79/15/76/1127791576.db2.gz RSZZZBHHYZNJOY-HNNXBMFYSA-N 0 1 291.439 3.793 20 0 CHADMN Cc1cccc([C@H]2CCCN2CN2CCSC2=O)c1C ZINC000172913171 1127792747 /nfs/dbraw/zinc/79/27/47/1127792747.db2.gz GIKPGMOTKXDLIE-OAHLLOKOSA-N 0 1 290.432 3.567 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000607155114 1127793167 /nfs/dbraw/zinc/79/31/67/1127793167.db2.gz LOBGRRGFGMCLTB-QWRGUYRKSA-N 0 1 291.782 3.620 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2csc(Br)c2)C1 ZINC000607155411 1127796852 /nfs/dbraw/zinc/79/68/52/1127796852.db2.gz UIHSTCZDBXBYIS-IUCAKERBSA-N 0 1 274.227 3.741 20 0 CHADMN CC(C)CN(Cc1ccno1)[C@H]1CCCc2cccnc21 ZINC000372336581 1127796941 /nfs/dbraw/zinc/79/69/41/1127796941.db2.gz HTFNYTQXEXJLOA-INIZCTEOSA-N 0 1 285.391 3.605 20 0 CHADMN Cc1ccccc1[C@H]1CCC[N@H+]1Cn1cc[nH]c1=S ZINC000173312599 1127818744 /nfs/dbraw/zinc/81/87/44/1127818744.db2.gz CIHOYQQNQZCCLV-CQSZACIVSA-N 0 1 273.405 3.649 20 0 CHADMN C[C@H]1CCCN(Cc2ccn(-c3cccc(F)c3)n2)[C@H]1C ZINC000607740831 1127822505 /nfs/dbraw/zinc/82/25/05/1127822505.db2.gz YFNJULVKXZAGPI-KBPBESRZSA-N 0 1 287.382 3.632 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3csc(Br)c3)C[C@@H]21 ZINC000607752902 1127827486 /nfs/dbraw/zinc/82/74/86/1127827486.db2.gz YKCCZVLVORYOPH-AOOOYVTPSA-N 0 1 286.238 3.598 20 0 CHADMN CCCCc1nc(CN2CCC[C@](C)(OC)CC2)cs1 ZINC000373602874 1127851860 /nfs/dbraw/zinc/85/18/60/1127851860.db2.gz GYNVSGTYKMSZMM-INIZCTEOSA-N 0 1 296.480 3.877 20 0 CHADMN CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000608145005 1127852410 /nfs/dbraw/zinc/85/24/10/1127852410.db2.gz GKFQNMUJGNRNTN-ZIAGYGMSSA-N 0 1 294.439 3.676 20 0 CHADMN CCCCc1nc(CN2CCC[C@@](C)(OC)CC2)cs1 ZINC000373602875 1127852318 /nfs/dbraw/zinc/85/23/18/1127852318.db2.gz GYNVSGTYKMSZMM-MRXNPFEDSA-N 0 1 296.480 3.877 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N1CCC(C2CCCC2)CC1 ZINC000608171307 1127852482 /nfs/dbraw/zinc/85/24/82/1127852482.db2.gz NTIBNUFTVJDZMM-UHFFFAOYSA-N 0 1 297.402 3.605 20 0 CHADMN Cc1cccc(C)c1OCCNC(C)(C)c1nccs1 ZINC000411374843 1127857812 /nfs/dbraw/zinc/85/78/12/1127857812.db2.gz NRIIVSBWBIEYGV-UHFFFAOYSA-N 0 1 290.432 3.664 20 0 CHADMN Cc1ccccc1[C@@]1(F)CCN(CCc2cncs2)C1 ZINC000411686142 1127869310 /nfs/dbraw/zinc/86/93/10/1127869310.db2.gz COGDDTOXIWLCAL-MRXNPFEDSA-N 0 1 290.407 3.565 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411656231 1127868299 /nfs/dbraw/zinc/86/82/99/1127868299.db2.gz ACQQEMPTVWENKI-IGJVIKARSA-N 0 1 287.300 3.954 20 0 CHADMN c1coc(-c2cc(CN3C4CCCC3CCC4)no2)c1 ZINC000608500068 1127871573 /nfs/dbraw/zinc/87/15/73/1127871573.db2.gz XJEGHAXQDPTYKI-UHFFFAOYSA-N 0 1 272.348 3.842 20 0 CHADMN Cc1ccc(-c2noc(CN3CCC[C@@H]4CCC[C@H]43)n2)cc1 ZINC000608498510 1127872290 /nfs/dbraw/zinc/87/22/90/1127872290.db2.gz ZLISJOOYWIZBQX-GOEBONIOSA-N 0 1 297.402 3.810 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2cn3cccc(C)c3n2)C1 ZINC000608507311 1127873272 /nfs/dbraw/zinc/87/32/72/1127873272.db2.gz TYXKABRCORRPCY-KRWDZBQOSA-N 0 1 271.408 3.655 20 0 CHADMN O[C@H]1C[C@H](c2ccccc2)N(Cc2ccccc2Cl)C1 ZINC000411959842 1127882528 /nfs/dbraw/zinc/88/25/28/1127882528.db2.gz YPFAGCDSZPXQOR-DOTOQJQBSA-N 0 1 287.790 3.648 20 0 CHADMN Clc1cnccc1CN1CCC2(CCCC2)C1 ZINC000174271669 1127884459 /nfs/dbraw/zinc/88/44/59/1127884459.db2.gz JQBIPRZRQCVVAF-UHFFFAOYSA-N 0 1 250.773 3.501 20 0 CHADMN Cc1noc(CN(C)[C@@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000411999253 1127886328 /nfs/dbraw/zinc/88/63/28/1127886328.db2.gz QKPUIMUAINRZQO-JKSUJKDBSA-N 0 1 285.391 3.536 20 0 CHADMN c1cc(-c2nc(CN3CC[C@@H](C4CC4)C3)cs2)co1 ZINC000374302172 1127887452 /nfs/dbraw/zinc/88/74/52/1127887452.db2.gz NIRYHBHIPZPXHI-GFCCVEGCSA-N 0 1 274.389 3.635 20 0 CHADMN CCS[C@@H]1CC[C@@H](N(C)Cc2cccnc2Cl)C1 ZINC000174343252 1127890923 /nfs/dbraw/zinc/89/09/23/1127890923.db2.gz INNNJZJFFJXDSD-CHWSQXEVSA-N 0 1 284.856 3.841 20 0 CHADMN C[C@H](NCCCSCc1ccccc1)c1csnn1 ZINC000412046861 1127892141 /nfs/dbraw/zinc/89/21/41/1127892141.db2.gz UWFZORBATRZRIQ-LBPRGKRZSA-N 0 1 293.461 3.512 20 0 CHADMN C[C@@H]1CC(C)(C)CN1Cc1nccn1Cc1ccccc1 ZINC000412050336 1127893057 /nfs/dbraw/zinc/89/30/57/1127893057.db2.gz YBIGZSOQOWXJID-OAHLLOKOSA-N 0 1 283.419 3.552 20 0 CHADMN CC[C@H]1CCC[C@H]1NCc1ncc(C(C)(C)C)o1 ZINC000429772736 1127904707 /nfs/dbraw/zinc/90/47/07/1127904707.db2.gz XTKZLZBHCCAZCR-NWDGAFQWSA-N 0 1 250.386 3.640 20 0 CHADMN C[C@H]1C[N@H+](Cc2cc([O-])c(F)c(F)c2)CCC[C@@H]1C ZINC001232969983 1127905574 /nfs/dbraw/zinc/90/55/74/1127905574.db2.gz FATJHNCWELSFON-QWRGUYRKSA-N 0 1 269.335 3.538 20 0 CHADMN C[C@H](c1ccccn1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000374561048 1127904181 /nfs/dbraw/zinc/90/41/81/1127904181.db2.gz ZYWHDGGLHWDCCI-PBHICJAKSA-N 0 1 270.351 3.713 20 0 CHADMN COc1ccccc1CSc1nc(-c2ccccc2)n[nH]1 ZINC000007472432 1127908722 /nfs/dbraw/zinc/90/87/22/1127908722.db2.gz IXPYQWVPUINVAE-UHFFFAOYSA-N 0 1 297.383 3.773 20 0 CHADMN CC(C)N(CC1CC1)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000535371791 1127914165 /nfs/dbraw/zinc/91/41/65/1127914165.db2.gz BEHLWUGYUNASBV-UHFFFAOYSA-N 0 1 289.423 3.718 20 0 CHADMN O=C(Nc1cccc2c1CN(C1CC1)C2)c1ccc(F)cc1 ZINC000374845174 1127916453 /nfs/dbraw/zinc/91/64/53/1127916453.db2.gz YYBSOHXPBNMARE-UHFFFAOYSA-N 0 1 296.345 3.556 20 0 CHADMN Clc1ccc([C@H](NC2CCC2)c2ccccn2)cc1 ZINC000925376832 1127917217 /nfs/dbraw/zinc/91/72/17/1127917217.db2.gz NVVSSBGGMHVMDT-INIZCTEOSA-N 0 1 272.779 3.967 20 0 CHADMN CSCCN1CCCC[C@H]1c1ccc(F)cc1F ZINC000535552741 1127919407 /nfs/dbraw/zinc/91/94/07/1127919407.db2.gz GKSSSTYVJFRNDL-AWEZNQCLSA-N 0 1 271.376 3.855 20 0 CHADMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N[C@@H](C)c1ccsc1 ZINC000669828267 1127926349 /nfs/dbraw/zinc/92/63/49/1127926349.db2.gz ISMVXIGZOZJPMD-GZBFAFLISA-N 0 1 294.464 3.578 20 0 CHADMN Cc1ccc2ncc(CN[C@@H](C)c3ccsc3)n2c1 ZINC000669831159 1127930643 /nfs/dbraw/zinc/93/06/43/1127930643.db2.gz TYDBIVGQLZNAIX-LBPRGKRZSA-N 0 1 271.389 3.555 20 0 CHADMN Cc1nc([C@H](C)Sc2ccccc2Br)n[nH]1 ZINC000412984697 1127934798 /nfs/dbraw/zinc/93/47/98/1127934798.db2.gz CXUDOKCZKVSZQQ-ZETCQYMHSA-N 0 1 298.209 3.729 20 0 CHADMN COc1ccc(-c2n[nH]c(S[C@@H](C)C(C)C)n2)cc1 ZINC000412984814 1127935001 /nfs/dbraw/zinc/93/50/01/1127935001.db2.gz RAHBLXWLGUNCHL-JTQLQIEISA-N 0 1 277.393 3.617 20 0 CHADMN Cc1nc([C@H](C)Sc2ccc(Br)cc2)n[nH]1 ZINC000412980668 1127935008 /nfs/dbraw/zinc/93/50/08/1127935008.db2.gz SIRGWNHDDZJLTN-ZETCQYMHSA-N 0 1 298.209 3.729 20 0 CHADMN Cc1nc([C@@H](C)Sc2cccc(Br)c2)n[nH]1 ZINC000412995646 1127936335 /nfs/dbraw/zinc/93/63/35/1127936335.db2.gz REUQVIWVVDXQEJ-SSDOTTSWSA-N 0 1 298.209 3.729 20 0 CHADMN Cc1nc([C@H](C)Sc2cccc(Br)c2)n[nH]1 ZINC000412995655 1127936507 /nfs/dbraw/zinc/93/65/07/1127936507.db2.gz REUQVIWVVDXQEJ-ZETCQYMHSA-N 0 1 298.209 3.729 20 0 CHADMN CC(C)(C)c1n[nH]c(SCCCCC2CCOCC2)n1 ZINC000539713478 1127937525 /nfs/dbraw/zinc/93/75/25/1127937525.db2.gz AVGYNTLAQNVZGP-UHFFFAOYSA-N 0 1 297.468 3.791 20 0 CHADMN CC(C)(C)c1nc(SCCCCC2CCOCC2)n[nH]1 ZINC000539713478 1127937527 /nfs/dbraw/zinc/93/75/27/1127937527.db2.gz AVGYNTLAQNVZGP-UHFFFAOYSA-N 0 1 297.468 3.791 20 0 CHADMN C[C@@H]1CN(Cc2cc(O)ccc2Br)C2(CC2)C1 ZINC001138148356 1127938224 /nfs/dbraw/zinc/93/82/24/1127938224.db2.gz AAYDYDMIFBULHH-JTQLQIEISA-N 0 1 296.208 3.529 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1ncccc1C)[C@@H]2C ZINC000543847150 1127949685 /nfs/dbraw/zinc/94/96/85/1127949685.db2.gz RXQJLASGQYGKIJ-LSDHHAIUSA-N 0 1 296.414 3.906 20 0 CHADMN Fc1cc(F)c(F)c(CN[C@@H]2CC[C@@H]2C2CCC2)c1F ZINC000669848218 1127950175 /nfs/dbraw/zinc/95/01/75/1127950175.db2.gz IDAKGUNJLSZVPL-NOZJJQNGSA-N 0 1 287.300 3.911 20 0 CHADMN Fc1cc2c(c(F)c1)[C@@H](N[C@@H]1CC[C@@H]1C1CCC1)CO2 ZINC000669849336 1127950744 /nfs/dbraw/zinc/95/07/44/1127950744.db2.gz NBPXWRBALRZLDR-BNOWGMLFSA-N 0 1 279.330 3.567 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](C)c2ccsc2)c(C)n1 ZINC000669850687 1127951829 /nfs/dbraw/zinc/95/18/29/1127951829.db2.gz FYNHPDGRTWXQNG-UWVGGRQHSA-N 0 1 261.394 3.567 20 0 CHADMN CO[C@]1(C)C[C@H](Nc2ccnc3cc(F)ccc32)C1(C)C ZINC000467008991 1127953124 /nfs/dbraw/zinc/95/31/24/1127953124.db2.gz HRGCYUMYVQBGFU-DOTOQJQBSA-N 0 1 288.366 3.989 20 0 CHADMN COC[C@@H]1CCCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000467121367 1127955985 /nfs/dbraw/zinc/95/59/85/1127955985.db2.gz XFRJJFQUWYYMHA-LLVKDONJSA-N 0 1 273.829 3.650 20 0 CHADMN C[C@@H](NCCCC(=O)OC(C)(C)C)c1c(F)cccc1F ZINC000544119037 1127959357 /nfs/dbraw/zinc/95/93/57/1127959357.db2.gz OADDMZAYAGYZTD-LLVKDONJSA-N 0 1 299.361 3.737 20 0 CHADMN CCCCc1noc(CN2CC[C@H](c3ccc(C)cc3)C2)n1 ZINC000544189566 1127962637 /nfs/dbraw/zinc/96/26/37/1127962637.db2.gz NYFWMHZNOFRWRY-INIZCTEOSA-N 0 1 299.418 3.710 20 0 CHADMN CCC[C@@H](N[C@H](CO)c1ccccc1OC)c1ccccc1 ZINC000540190405 1127967652 /nfs/dbraw/zinc/96/76/52/1127967652.db2.gz UEOGYQUPWTXCEY-QZTJIDSGSA-N 0 1 299.414 3.860 20 0 CHADMN CC1CC(Nc2ccc(Cl)c(CN(C)C)c2)C1 ZINC000467426941 1127968084 /nfs/dbraw/zinc/96/80/84/1127968084.db2.gz BALFJZUCXQDEAS-UHFFFAOYSA-N 0 1 252.789 3.612 20 0 CHADMN CC/C=C\CCN1CCc2cc(OC)c(F)cc2C1 ZINC000467450444 1127969780 /nfs/dbraw/zinc/96/97/80/1127969780.db2.gz PAAABRNWKDJEML-PLNGDYQASA-N 0 1 263.356 3.549 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2ccccc21)c1ccn(C)n1 ZINC000544579013 1127977120 /nfs/dbraw/zinc/97/71/20/1127977120.db2.gz KKFNCGSLYVXFPC-CVEARBPZSA-N 0 1 269.392 3.538 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccc(C)cc1)c1ccn(C)n1 ZINC000544579409 1127977347 /nfs/dbraw/zinc/97/73/47/1127977347.db2.gz QZMGCJMYSKWEDF-ZFWWWQNUSA-N 0 1 257.381 3.530 20 0 CHADMN CC[C@@H](N[C@H](c1cccs1)C1CC1)c1ccn(C)n1 ZINC000544578702 1127977415 /nfs/dbraw/zinc/97/74/15/1127977415.db2.gz DGPVHWLEMXBDHO-DOMZBBRYSA-N 0 1 275.421 3.674 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1ccnc2ccccc12 ZINC000544599153 1127978133 /nfs/dbraw/zinc/97/81/33/1127978133.db2.gz UQQULJGWRVSLOV-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN Cc1nc(CN2CC[C@@H](C)C(C)(C)C2)nc2ccccc12 ZINC000544781360 1127983855 /nfs/dbraw/zinc/98/38/55/1127983855.db2.gz SGNUKDBRHHMIKS-CYBMUJFWSA-N 0 1 283.419 3.806 20 0 CHADMN C[C@H](C[N@@H+](C)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000388787899 1127982533 /nfs/dbraw/zinc/98/25/33/1127982533.db2.gz IEODNPMLDLAAJV-OAHLLOKOSA-N 0 1 297.398 3.663 20 0 CHADMN CCC[N@@H+](Cc1ccn(-c2c(F)cccc2F)n1)C1CC1 ZINC000540524538 1127982619 /nfs/dbraw/zinc/98/26/19/1127982619.db2.gz OGNNJIDKAOHLBT-UHFFFAOYSA-N 0 1 291.345 3.525 20 0 CHADMN CCCN(Cc1ccn(-c2c(F)cccc2F)n1)C1CC1 ZINC000540524538 1127982623 /nfs/dbraw/zinc/98/26/23/1127982623.db2.gz OGNNJIDKAOHLBT-UHFFFAOYSA-N 0 1 291.345 3.525 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CCOCC2(CCC2)C1 ZINC000544760933 1127983091 /nfs/dbraw/zinc/98/30/91/1127983091.db2.gz SEECFQKIGWVRTB-INIZCTEOSA-N 0 1 295.373 3.918 20 0 CHADMN CC[N@@H+](Cc1ccccc1)[C@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000520416496 1127985267 /nfs/dbraw/zinc/98/52/67/1127985267.db2.gz GLCFZZQUBWNYBV-GFCCVEGCSA-N 0 1 287.359 3.869 20 0 CHADMN CC[C@H](C)[C@H](NCc1ccn(C)n1)c1ccc(Cl)cc1 ZINC000540629417 1127987800 /nfs/dbraw/zinc/98/78/00/1127987800.db2.gz FNBBBUFKAMFILT-LRDDRELGSA-N 0 1 291.826 3.951 20 0 CHADMN CCCCc1noc([C@@H](C)N2CC[C@@](C)(CC)C2)n1 ZINC000468114260 1127993256 /nfs/dbraw/zinc/99/32/56/1127993256.db2.gz WWFNYWJWTHKPCF-IUODEOHRSA-N 0 1 265.401 3.595 20 0 CHADMN CC[C@@]1(C)CCN(CC(=O)Nc2ccc(Cl)cc2C)C1 ZINC000468125618 1127993914 /nfs/dbraw/zinc/99/39/14/1127993914.db2.gz UWNQSOFIUOBBHE-INIZCTEOSA-N 0 1 294.826 3.709 20 0 CHADMN Fc1ccccc1-c1noc(-c2cc(-c3ccoc3)n[nH]2)n1 ZINC000544994115 1127995599 /nfs/dbraw/zinc/99/55/99/1127995599.db2.gz GOVAUKBRBVPYPT-UHFFFAOYSA-N 0 1 296.261 3.526 20 0 CHADMN Cc1ccc(-c2cc(-c3nc([C@H]4C[C@H]4C)no3)[nH]n2)cc1 ZINC000545064641 1127998276 /nfs/dbraw/zinc/99/82/76/1127998276.db2.gz PNOSFCNGNFFYCZ-PWSUYJOCSA-N 0 1 280.331 3.559 20 0 CHADMN CC[C@]1(C)CCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)C1 ZINC000468249828 1127999434 /nfs/dbraw/zinc/99/94/34/1127999434.db2.gz KUQMQLQNNJECLN-GOSISDBHSA-N 0 1 297.402 3.647 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1cn2c(cccc2Cl)n1 ZINC001233609059 1127999549 /nfs/dbraw/zinc/99/95/49/1127999549.db2.gz PQKOSSPEAGYPCR-ZDUSSCGKSA-N 0 1 277.799 3.608 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2C[C@@H](C)C[C@H]2C)s1 ZINC000545394759 1128013579 /nfs/dbraw/zinc/01/35/79/1128013579.db2.gz GYYBJBLMWHHZHF-JGVFFNPUSA-N 0 1 278.343 3.701 20 0 CHADMN Cc1ncc([C@@H](C)NCc2c(C)cccc2F)s1 ZINC000761449427 1128014820 /nfs/dbraw/zinc/01/48/20/1128014820.db2.gz BMDKQHKKZYWZHJ-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN CCC(C)(C)c1ccc(NC(=O)Cc2cc(C)[nH]n2)cc1 ZINC000468893907 1128026731 /nfs/dbraw/zinc/02/67/31/1128026731.db2.gz HRYRPHSFQBDQLY-UHFFFAOYSA-N 0 1 285.391 3.587 20 0 CHADMN Cl/C=C\CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000913611347 1128031526 /nfs/dbraw/zinc/03/15/26/1128031526.db2.gz YXXCNVPJVISFLZ-PNVIUGFYSA-N 0 1 277.780 3.820 20 0 CHADMN Cn1ccc([C@@H](NC2CCCC2)c2ccc(Cl)cc2)n1 ZINC000541748471 1128035552 /nfs/dbraw/zinc/03/55/52/1128035552.db2.gz NDHQIGNSMXOCAB-INIZCTEOSA-N 0 1 289.810 3.695 20 0 CHADMN C[C@H]1C[C@H]1c1noc(-c2ccc3[nH]c(C(F)F)nc3c2)n1 ZINC000545773390 1128033089 /nfs/dbraw/zinc/03/30/89/1128033089.db2.gz FOWDOCGQIOCZHM-POYBYMJQSA-N 0 1 290.273 3.674 20 0 CHADMN COc1c(C)cnc(CN(C)C/C=C\c2ccccc2)c1C ZINC000541764073 1128037702 /nfs/dbraw/zinc/03/77/02/1128037702.db2.gz MAPKCSMOVVDLNF-FLIBITNWSA-N 0 1 296.414 3.852 20 0 CHADMN Cc1cc(C)c(C[N@@H+]2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1C ZINC000232747016 1128048478 /nfs/dbraw/zinc/04/84/78/1128048478.db2.gz AEQCBVAMNRNHQQ-SFHVURJKSA-N 0 1 289.419 3.545 20 0 CHADMN CO[C@@H]1CCN(Cc2nc(C)c(C(C)(C)C)s2)[C@H](C)C1 ZINC000930321961 1128049387 /nfs/dbraw/zinc/04/93/87/1128049387.db2.gz AVZHDWNRDCEULC-DGCLKSJQSA-N 0 1 296.480 3.748 20 0 CHADMN COC(C)(C)CC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000469732754 1128051626 /nfs/dbraw/zinc/05/16/26/1128051626.db2.gz DPQRQSKKJRAHIL-GOSISDBHSA-N 0 1 298.430 3.708 20 0 CHADMN COC(C)(C)CCN[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000469759314 1128052856 /nfs/dbraw/zinc/05/28/56/1128052856.db2.gz YAPLJEYBKSXKOR-CYBMUJFWSA-N 0 1 288.391 3.807 20 0 CHADMN CCC1(CC)CCCN(C(=O)c2cc(C(C)C)[nH]n2)CC1 ZINC000469930849 1128057999 /nfs/dbraw/zinc/05/79/99/1128057999.db2.gz UDHPNHZSDAURSR-UHFFFAOYSA-N 0 1 291.439 3.966 20 0 CHADMN CN1Cc2ccccc2[C@@H](Nc2nc3c(cccc3F)o2)C1 ZINC000784335132 1128062157 /nfs/dbraw/zinc/06/21/57/1128062157.db2.gz LMKLXYSXUBZXTN-AWEZNQCLSA-N 0 1 297.333 3.566 20 0 CHADMN Fc1cccc(CCN2CCC[C@H]2c2ccccn2)c1F ZINC000542278607 1128061160 /nfs/dbraw/zinc/06/11/60/1128061160.db2.gz AZPDBFOWCAEZLP-INIZCTEOSA-N 0 1 288.341 3.739 20 0 CHADMN CCc1ccc(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)cc1 ZINC000470315926 1128068749 /nfs/dbraw/zinc/06/87/49/1128068749.db2.gz BABLEASJRWUUOW-UHFFFAOYSA-N 0 1 299.418 3.542 20 0 CHADMN C[C@H](CC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1)C(C)(C)C ZINC000470352723 1128069168 /nfs/dbraw/zinc/06/91/68/1128069168.db2.gz QVJOHEIQQRTEFS-GFCCVEGCSA-N 0 1 293.455 3.738 20 0 CHADMN C[C@@H](N(Cc1cc[nH]n1)Cc1ccccc1)C(C)(C)C ZINC000470552617 1128073400 /nfs/dbraw/zinc/07/34/00/1128073400.db2.gz YGJCEWGQTWITGA-CQSZACIVSA-N 0 1 271.408 3.847 20 0 CHADMN C[C@@H](N[C@@H](C)C(=O)c1c[nH]c2ncccc12)c1ccsc1 ZINC000669937516 1128075425 /nfs/dbraw/zinc/07/54/25/1128075425.db2.gz JURKIZZLYIWPFW-MNOVXSKESA-N 0 1 299.399 3.546 20 0 CHADMN CC(C)CCC[C@H](C)NC(=O)CN[C@H](C)c1ccsc1 ZINC000669937123 1128075745 /nfs/dbraw/zinc/07/57/45/1128075745.db2.gz JZBQCHWADYNKDG-UONOGXRCSA-N 0 1 296.480 3.730 20 0 CHADMN Cc1ccc(NC(=O)CN[C@H](C)c2ccsc2)c(C)c1 ZINC000669937492 1128075981 /nfs/dbraw/zinc/07/59/81/1128075981.db2.gz ITVIFUIYTOAYAM-CYBMUJFWSA-N 0 1 288.416 3.654 20 0 CHADMN Cc1ccc(NC(=O)CN[C@H](C)c2ccsc2)cc1C ZINC000669939502 1128077978 /nfs/dbraw/zinc/07/79/78/1128077978.db2.gz DVSMGWPIPCLCMX-CYBMUJFWSA-N 0 1 288.416 3.654 20 0 CHADMN CC1CCC(CN(C)Cc2nccn2C(F)F)CC1 ZINC000172873141 1128078896 /nfs/dbraw/zinc/07/88/96/1128078896.db2.gz ANQNRLRPVJLIBH-UHFFFAOYSA-N 0 1 271.355 3.536 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H](C2CC2)O1 ZINC000470903388 1128080366 /nfs/dbraw/zinc/08/03/66/1128080366.db2.gz HUGCTEKQQHQADL-IAQYHMDHSA-N 0 1 299.336 3.705 20 0 CHADMN C[C@@H]1CN([C@@H]2CCCc3ccc(F)cc32)C[C@H](C2CC2)O1 ZINC000470921386 1128081076 /nfs/dbraw/zinc/08/10/76/1128081076.db2.gz BMOXLEPAPFWFTG-NXOUGTEYSA-N 0 1 289.394 3.702 20 0 CHADMN Fc1cncc(CN2CCCC[C@H]2c2ccccc2)c1 ZINC000347078655 1128086133 /nfs/dbraw/zinc/08/61/33/1128086133.db2.gz HZXFCTFKDTZAPC-KRWDZBQOSA-N 0 1 270.351 3.948 20 0 CHADMN COc1ccc(CNCC=C(C)C)c(Br)c1 ZINC000304549659 1128089573 /nfs/dbraw/zinc/08/95/73/1128089573.db2.gz MCEASXSAYRNNOB-UHFFFAOYSA-N 0 1 284.197 3.514 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccc(C(C)(C)C)cc1 ZINC000037596042 1128090203 /nfs/dbraw/zinc/09/02/03/1128090203.db2.gz FKNMPHITTUZAHG-UHFFFAOYSA-N 0 1 277.408 3.669 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1c(Cl)nccc1N(C)C ZINC001234096286 1128091375 /nfs/dbraw/zinc/09/13/75/1128091375.db2.gz NSOHOUXHDUDUEZ-TXEJJXNPSA-N 0 1 281.831 3.564 20 0 CHADMN CC[C@@H](CC(=O)NCc1nc2ccc(C)cc2[nH]1)C(C)C ZINC000174895443 1128108956 /nfs/dbraw/zinc/10/89/56/1128108956.db2.gz UJCJPTOCYAUONM-ZDUSSCGKSA-N 0 1 287.407 3.560 20 0 CHADMN Cc1ccc(CN[C@H]2CCCc3c(Cl)ccnc32)cn1 ZINC000924694375 1128110192 /nfs/dbraw/zinc/11/01/92/1128110192.db2.gz FWZXGPJAXPCLKH-HNNXBMFYSA-N 0 1 287.794 3.606 20 0 CHADMN COCCN(Cc1cccs1)Cc1ccc(CF)cc1 ZINC000777534765 1128112367 /nfs/dbraw/zinc/11/23/67/1128112367.db2.gz FWBPENQLRPXNSL-UHFFFAOYSA-N 0 1 293.407 3.866 20 0 CHADMN C[C@@H](NCc1cc2c(s1)CCCC2)c1ccns1 ZINC000924837935 1128114328 /nfs/dbraw/zinc/11/43/28/1128114328.db2.gz AJQSYNXICVJCOX-SNVBAGLBSA-N 0 1 278.446 3.934 20 0 CHADMN COc1cc(CN[C@@H](C)c2cccc3c2OCO3)ccc1C ZINC000924833249 1128114368 /nfs/dbraw/zinc/11/43/68/1128114368.db2.gz YHSNVFYZWMZYII-ZDUSSCGKSA-N 0 1 299.370 3.583 20 0 CHADMN Cc1occc1CN[C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924828143 1128114527 /nfs/dbraw/zinc/11/45/27/1128114527.db2.gz XQLNHLXMRCOLSP-GFCCVEGCSA-N 0 1 273.376 3.666 20 0 CHADMN C[C@@H](N[C@H]1CCc2c1cccc2O)c1cnn(C2CCC2)c1 ZINC000924968514 1128118250 /nfs/dbraw/zinc/11/82/50/1128118250.db2.gz ZUFXOOGNDBCSRH-PXAZEXFGSA-N 0 1 297.402 3.652 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnn(C2CCC2)c1)c1ccncc1 ZINC000925128720 1128122841 /nfs/dbraw/zinc/12/28/41/1128122841.db2.gz GGDXLSHYFDZQIV-GUYCJALGSA-N 0 1 284.407 3.805 20 0 CHADMN CC[C@H](N[C@H](C)c1cnn(C2CCC2)c1)c1ccncc1 ZINC000925128719 1128123022 /nfs/dbraw/zinc/12/30/22/1128123022.db2.gz GGDXLSHYFDZQIV-DYVFJYSZSA-N 0 1 284.407 3.805 20 0 CHADMN COc1ccccc1[C@H](N[C@@H]1CC=CCC1)c1ccccn1 ZINC000925435891 1128129494 /nfs/dbraw/zinc/12/94/94/1128129494.db2.gz CDYLGEQKXJCHLS-BEFAXECRSA-N 0 1 294.398 3.878 20 0 CHADMN CCCN(CCN[C@@H](C)c1ccco1)C(=O)OC(C)(C)C ZINC000090811857 1128124606 /nfs/dbraw/zinc/12/46/06/1128124606.db2.gz FFBXGWMDIMFIPV-ZDUSSCGKSA-N 0 1 296.411 3.577 20 0 CHADMN C[C@@H](N[C@H]1CC2(CCC2)Oc2ccccc21)c1ccnnc1 ZINC000925269994 1128127565 /nfs/dbraw/zinc/12/75/65/1128127565.db2.gz QKSWJVUCCDRDEW-CJNGLKHVSA-N 0 1 295.386 3.574 20 0 CHADMN Cc1nonc1[C@@H](C)NC1CC(c2cccc(Cl)c2)C1 ZINC000925471024 1128130121 /nfs/dbraw/zinc/13/01/21/1128130121.db2.gz PJIJNEMYOQMQDL-JTZLXEIQSA-N 0 1 291.782 3.628 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c[nH]nc21)c1cc2ccccc2[nH]1 ZINC000925549879 1128131895 /nfs/dbraw/zinc/13/18/95/1128131895.db2.gz JPLWPEULPADOQG-XHDPSFHLSA-N 0 1 280.375 3.619 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@@H](C)c1ccns1 ZINC000925684886 1128136810 /nfs/dbraw/zinc/13/68/10/1128136810.db2.gz JKZZJGLDQUYRTP-MNOVXSKESA-N 0 1 261.394 3.512 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@H](C)c1cccc2c1OCO2 ZINC000925684600 1128137107 /nfs/dbraw/zinc/13/71/07/1128137107.db2.gz IJUDRZUEENRDKC-QWHCGFSZSA-N 0 1 298.386 3.785 20 0 CHADMN C[C@@H](NCCOC1CCC1)c1cc(-c2ccccc2)no1 ZINC000925895188 1128145574 /nfs/dbraw/zinc/14/55/74/1128145574.db2.gz UXFVLIQFSNMFSS-CYBMUJFWSA-N 0 1 286.375 3.561 20 0 CHADMN Cc1ccc([C@@H](NCCOC(C)(C)C)c2cccnc2)cc1 ZINC000925777423 1128142653 /nfs/dbraw/zinc/14/26/53/1128142653.db2.gz DMRUITFBFGVRTF-GOSISDBHSA-N 0 1 298.430 3.884 20 0 CHADMN CC[C@@H](NC1(c2ccccc2)CC1)c1cccc(OC)n1 ZINC000925826668 1128143138 /nfs/dbraw/zinc/14/31/38/1128143138.db2.gz POLWXIHSHAFEDU-OAHLLOKOSA-N 0 1 282.387 3.820 20 0 CHADMN C[C@@H](N[C@@H](C)c1cnn(C2CCC2)c1)c1cncc(F)c1 ZINC000926125932 1128155759 /nfs/dbraw/zinc/15/57/59/1128155759.db2.gz AQOZZQZQBDEVIV-NEPJUHHUSA-N 0 1 288.370 3.554 20 0 CHADMN C[C@H](N[C@@H](C)c1cncc(F)c1)c1cnn(C2CCC2)c1 ZINC000926125938 1128156069 /nfs/dbraw/zinc/15/60/69/1128156069.db2.gz AQOZZQZQBDEVIV-RYUDHWBXSA-N 0 1 288.370 3.554 20 0 CHADMN CCC[C@@H](NCC1(OC)CCC1)c1ncccc1Cl ZINC000926116562 1128156184 /nfs/dbraw/zinc/15/61/84/1128156184.db2.gz WQCFDZIAUVRUSZ-CYBMUJFWSA-N 0 1 282.815 3.735 20 0 CHADMN COc1ccnc([C@H](C)N[C@@H]2CCCc3sccc32)c1 ZINC000926189505 1128158620 /nfs/dbraw/zinc/15/86/20/1128158620.db2.gz LQRVMPJSYSMCPH-SMDDNHRTSA-N 0 1 288.416 3.880 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2NC1(Cc2ccccc2)CC1 ZINC000926204995 1128160362 /nfs/dbraw/zinc/16/03/62/1128160362.db2.gz DRNFQLZFFYIYOL-HNNXBMFYSA-N 0 1 282.387 3.725 20 0 CHADMN CCCCCc1cc(C(=O)N2CC3(C2)CCCCC3)n[nH]1 ZINC000613342007 1128160712 /nfs/dbraw/zinc/16/07/12/1128160712.db2.gz ABGJOUSHXXMMOJ-UHFFFAOYSA-N 0 1 289.423 3.549 20 0 CHADMN CCCNc1ccc(CN[C@H](C)c2cc(OC)ccn2)cc1 ZINC000926288622 1128165108 /nfs/dbraw/zinc/16/51/08/1128165108.db2.gz RXKQUSXNTMPHRS-CQSZACIVSA-N 0 1 299.418 3.763 20 0 CHADMN Cc1nonc1[C@H](C)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000926339548 1128168199 /nfs/dbraw/zinc/16/81/99/1128168199.db2.gz HELQSGAAGNPBST-VZJVUDMVSA-N 0 1 289.354 3.504 20 0 CHADMN C[C@@H](NCc1cnc2n1CCCC2)c1coc2ccccc12 ZINC000926380261 1128170203 /nfs/dbraw/zinc/17/02/03/1128170203.db2.gz UTEQQMFCRAJHEN-CYBMUJFWSA-N 0 1 295.386 3.816 20 0 CHADMN C[C@H](N[C@@H](C)c1cnnn1-c1ccccc1)c1ccsc1 ZINC000926370835 1128170493 /nfs/dbraw/zinc/17/04/93/1128170493.db2.gz VJFQOKBPCHEPMJ-STQMWFEESA-N 0 1 298.415 3.741 20 0 CHADMN C(=C/c1ccncc1)\CN1CC[C@@H]1c1ccccc1 ZINC000494367332 1128170947 /nfs/dbraw/zinc/17/09/47/1128170947.db2.gz JCVRXLWEBPLABU-LAQIPUCWSA-N 0 1 250.345 3.542 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)c2ccccc21)c1cnnn1C ZINC000926431556 1128171474 /nfs/dbraw/zinc/17/14/74/1128171474.db2.gz IOJDNGOGUYFGBV-NWDGAFQWSA-N 0 1 298.365 3.519 20 0 CHADMN FCc1ccc(CN2CCN(c3cccs3)CC2)cc1 ZINC000777600254 1128173195 /nfs/dbraw/zinc/17/31/95/1128173195.db2.gz OPZBEWBDPBAFSM-UHFFFAOYSA-N 0 1 290.407 3.540 20 0 CHADMN CCc1noc(C)c1CN[C@H](C)c1cc2ccccc2[nH]1 ZINC000926482678 1128174580 /nfs/dbraw/zinc/17/45/80/1128174580.db2.gz PJXVIDWWDCLAJR-LLVKDONJSA-N 0 1 283.375 3.878 20 0 CHADMN Cc1oc2ccccc2c1[C@@H](C)NCc1n[nH]c(C2CC2)n1 ZINC000926505933 1128176509 /nfs/dbraw/zinc/17/65/09/1128176509.db2.gz LUDRCKHAOCCZRT-SNVBAGLBSA-N 0 1 296.374 3.588 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3c(Cl)ccnc32)ccn1 ZINC000926505932 1128176548 /nfs/dbraw/zinc/17/65/48/1128176548.db2.gz LYTXWJMXBJNMMW-HNNXBMFYSA-N 0 1 287.794 3.606 20 0 CHADMN Fc1cncc(CNCc2ccc3ccccc3c2)c1 ZINC000494564898 1128178246 /nfs/dbraw/zinc/17/82/46/1128178246.db2.gz MBMMPNVVVWXAGV-UHFFFAOYSA-N 0 1 266.319 3.664 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2NC[C@@]1(C)CC1(Cl)Cl ZINC000926522202 1128178630 /nfs/dbraw/zinc/17/86/30/1128178630.db2.gz XQWLBPADRHWEAK-JOYOIKCWSA-N 0 1 289.206 3.534 20 0 CHADMN COc1c(O)cccc1CN[C@@]1(C)CCCc2ccccc21 ZINC000494584647 1128178914 /nfs/dbraw/zinc/17/89/14/1128178914.db2.gz HZAGJRGLNUEQDH-IBGZPJMESA-N 0 1 297.398 3.742 20 0 CHADMN Cc1cccc([C@H](NC[C@@H]2CC[C@@H](C)O2)c2ccccn2)c1 ZINC000926558273 1128180495 /nfs/dbraw/zinc/18/04/95/1128180495.db2.gz CSCYISFXSAYTIT-AYBZRNKSSA-N 0 1 296.414 3.637 20 0 CHADMN Cc1cccc([C@H](NC[C@@H]2CC[C@H](C)O2)c2ccccn2)c1 ZINC000926558275 1128180696 /nfs/dbraw/zinc/18/06/96/1128180696.db2.gz CSCYISFXSAYTIT-IEZWGBDMSA-N 0 1 296.414 3.637 20 0 CHADMN c1ccc([C@H](N[C@@H]2COCc3ccccc32)C2CCC2)nc1 ZINC000926602288 1128183271 /nfs/dbraw/zinc/18/32/71/1128183271.db2.gz YDXCPBYRPHAMPU-RTBURBONSA-N 0 1 294.398 3.784 20 0 CHADMN Cc1cc(CN[C@H](c2ccccn2)C2CCC2)cc(C)n1 ZINC000926600661 1128183382 /nfs/dbraw/zinc/18/33/82/1128183382.db2.gz KMPBICKCXCUOCT-SFHVURJKSA-N 0 1 281.403 3.724 20 0 CHADMN Cc1ccc([C@H](N[C@H]2CC23CC3)c2ccccn2)cc1 ZINC000926613728 1128183892 /nfs/dbraw/zinc/18/38/92/1128183892.db2.gz DXGKKHCWMDNPDZ-IRXDYDNUSA-N 0 1 264.372 3.622 20 0 CHADMN CCC(CC)[C@H](C)C(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000761659465 1128187553 /nfs/dbraw/zinc/18/75/53/1128187553.db2.gz ZFPTUUPOECJAFM-VIFPVBQESA-N 0 1 292.408 3.544 20 0 CHADMN COc1cccc(C2(N[C@H](C)c3ccns3)CCC2)c1 ZINC000926724814 1128190724 /nfs/dbraw/zinc/19/07/24/1128190724.db2.gz NGALWOFYDXCQBG-GFCCVEGCSA-N 0 1 288.416 3.882 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](C)c2cnn(C3CCC3)c2)s1 ZINC000926786118 1128194031 /nfs/dbraw/zinc/19/40/31/1128194031.db2.gz LZWOLKOAVRWSSX-QWRGUYRKSA-N 0 1 290.436 3.785 20 0 CHADMN F[C@@H]1CCCC[C@@H]1N[C@H](c1ccccn1)C1CCC1 ZINC000926784672 1128194077 /nfs/dbraw/zinc/19/40/77/1128194077.db2.gz HEFDCHPBJDUPMM-YCPHGPKFSA-N 0 1 262.372 3.793 20 0 CHADMN Cc1ncc([C@H](C)N[C@H](C)c2cnn(C3CCC3)c2)s1 ZINC000926786114 1128194333 /nfs/dbraw/zinc/19/43/33/1128194333.db2.gz LZWOLKOAVRWSSX-MNOVXSKESA-N 0 1 290.436 3.785 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2ccccc2CF)on1 ZINC000929290166 1128268237 /nfs/dbraw/zinc/26/82/37/1128268237.db2.gz VZOVJOLCVAUFFW-OAHLLOKOSA-N 0 1 274.339 3.790 20 0 CHADMN CC[C@]1(O)CCN([C@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000495230210 1128247893 /nfs/dbraw/zinc/24/78/93/1128247893.db2.gz LSVZZOKKFBRKNU-YGRLFVJLSA-N 0 1 288.218 3.901 20 0 CHADMN Clc1ccc([C@H](NCc2ccccn2)C2CC2)cc1 ZINC000035011885 1128251505 /nfs/dbraw/zinc/25/15/05/1128251505.db2.gz RTOPSIALJWZIJB-MRXNPFEDSA-N 0 1 272.779 3.976 20 0 CHADMN FCc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000777714660 1128252979 /nfs/dbraw/zinc/25/29/79/1128252979.db2.gz YJTLSDMRFDTCJZ-UHFFFAOYSA-N 0 1 270.351 3.716 20 0 CHADMN FCc1ccc(CN(Cc2cccnc2)C2CC2)cc1 ZINC000777714660 1128252981 /nfs/dbraw/zinc/25/29/81/1128252981.db2.gz YJTLSDMRFDTCJZ-UHFFFAOYSA-N 0 1 270.351 3.716 20 0 CHADMN CN1CC[N@@H+](Cc2ccc(CF)cc2)[C@@H](c2ccccc2)C1 ZINC000777714646 1128253219 /nfs/dbraw/zinc/25/32/19/1128253219.db2.gz XVKCHVYBLHBBMZ-LJQANCHMSA-N 0 1 298.405 3.645 20 0 CHADMN CCc1onc(C)c1CN(C)[C@@H](C)c1ccc(OC)cc1 ZINC000929113807 1128258462 /nfs/dbraw/zinc/25/84/62/1128258462.db2.gz FCPILLCFOLPXHM-ZDUSSCGKSA-N 0 1 288.391 3.747 20 0 CHADMN CCCN(CCC)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000929153074 1128261163 /nfs/dbraw/zinc/26/11/63/1128261163.db2.gz OIQFAIFJIGQDSS-UHFFFAOYSA-N 0 1 292.423 3.528 20 0 CHADMN CN(Cc1ccsc1)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929179306 1128262807 /nfs/dbraw/zinc/26/28/07/1128262807.db2.gz HHIAMKJNFYQMKF-RYUDHWBXSA-N 0 1 293.354 3.680 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cncnc2C)cc1C ZINC000926903120 1128201877 /nfs/dbraw/zinc/20/18/77/1128201877.db2.gz RWVRXFDNYSMDMI-GXTWGEPZSA-N 0 1 285.391 3.514 20 0 CHADMN CCSc1ccccc1CCN[C@@H](C)c1ncco1 ZINC000926922170 1128203268 /nfs/dbraw/zinc/20/32/68/1128203268.db2.gz ZUWUWHKCVQYXQE-LBPRGKRZSA-N 0 1 276.405 3.680 20 0 CHADMN CCc1ccc2ccccc2c1CN[C@H](C)c1ncc[nH]1 ZINC000926932840 1128203961 /nfs/dbraw/zinc/20/39/61/1128203961.db2.gz ORXSVKBTPNWZCR-CYBMUJFWSA-N 0 1 279.387 3.976 20 0 CHADMN CCc1ccc2ccccc2c1CN[C@H](C)c1ccn(C)n1 ZINC000926937105 1128204134 /nfs/dbraw/zinc/20/41/34/1128204134.db2.gz KDXHVUMNVJGRLR-CQSZACIVSA-N 0 1 293.414 3.987 20 0 CHADMN CCCc1csc(CN[C@H]2C[C@H](OC(C)C)C2(C)C)n1 ZINC000494842934 1128205428 /nfs/dbraw/zinc/20/54/28/1128205428.db2.gz VNXVNEVKXATVQP-KBPBESRZSA-N 0 1 296.480 3.777 20 0 CHADMN CC[C@](C)(NC[C@@H](OC)C1CCCCC1)c1nccs1 ZINC000660080309 1128205497 /nfs/dbraw/zinc/20/54/97/1128205497.db2.gz ZZESBMIUIZXZIT-ZBFHGGJFSA-N 0 1 296.480 3.953 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2ncc(C)cc2C)cc1 ZINC000926954470 1128205758 /nfs/dbraw/zinc/20/57/58/1128205758.db2.gz LHKLKTYDVSYPIO-OAHLLOKOSA-N 0 1 284.403 3.948 20 0 CHADMN CCC[C@H](O)CCN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000927019236 1128208108 /nfs/dbraw/zinc/20/81/08/1128208108.db2.gz DJWDRAJUOFQAHM-HKUYNNGSSA-N 0 1 298.430 3.620 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H]2CCCC3(CCC3)O2)c(C)s1 ZINC000927019011 1128208204 /nfs/dbraw/zinc/20/82/04/1128208204.db2.gz QOIQHMDVNBFBKR-BXUZGUMPSA-N 0 1 294.464 3.902 20 0 CHADMN CCN1CC[C@@H](Oc2ccc(C)c(Cl)c2Cl)C1 ZINC001234932473 1128266017 /nfs/dbraw/zinc/26/60/17/1128266017.db2.gz SSZXZFXNJZEZLL-SNVBAGLBSA-N 0 1 274.191 3.775 20 0 CHADMN CCOc1ccc2c(c1)CCN(C/C=C/c1ccncc1)C2 ZINC000494920997 1128212196 /nfs/dbraw/zinc/21/21/96/1128212196.db2.gz GMBYQKXSPQMFLW-ONEGZZNKSA-N 0 1 294.398 3.552 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2cc(C)no2)cc1 ZINC000053402783 1128212823 /nfs/dbraw/zinc/21/28/23/1128212823.db2.gz QTSKKEQFBRBNGM-KRWDZBQOSA-N 0 1 286.375 3.719 20 0 CHADMN Oc1ccc2c(c1)[C@H](N[C@H]1CCCc3cccnc31)CCC2 ZINC000927063614 1128213490 /nfs/dbraw/zinc/21/34/90/1128213490.db2.gz HZWPFYXGGDZZTB-MSOLQXFVSA-N 0 1 294.398 3.832 20 0 CHADMN CC[N@@H+](Cc1cnc(-c2ccco2)s1)C1CCC1 ZINC000494926629 1128213633 /nfs/dbraw/zinc/21/36/33/1128213633.db2.gz VBOABFVNORIZAJ-UHFFFAOYSA-N 0 1 262.378 3.778 20 0 CHADMN C(=C/c1ccncc1)\C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000494927129 1128213803 /nfs/dbraw/zinc/21/38/03/1128213803.db2.gz YHOVNFOHBGKOHK-FHHGHWCOSA-N 0 1 293.414 3.671 20 0 CHADMN Oc1cccc2c1CCC[C@@H]2N[C@H]1CCCc2cccnc21 ZINC000927064431 1128214010 /nfs/dbraw/zinc/21/40/10/1128214010.db2.gz UBBTYAGKQXGUKL-IRXDYDNUSA-N 0 1 294.398 3.832 20 0 CHADMN COc1ccc([C@H](N[C@H](C)c2ncc[nH]2)C2CCC2)cc1 ZINC000927064603 1128214217 /nfs/dbraw/zinc/21/42/17/1128214217.db2.gz RLDAWYVZUJFXOQ-MLGOLLRUSA-N 0 1 285.391 3.610 20 0 CHADMN CCOc1ccc(CN2CCS[C@@H](C)[C@@H]2C)cc1F ZINC000494986552 1128220019 /nfs/dbraw/zinc/22/00/19/1128220019.db2.gz QKEITYRQLVQCGO-RYUDHWBXSA-N 0 1 283.412 3.550 20 0 CHADMN CC[C@H](NCc1cc(C)cc(OC)c1)c1ccc(F)cn1 ZINC000494976598 1128221126 /nfs/dbraw/zinc/22/11/26/1128221126.db2.gz ZSXVGRIIAYAJEB-INIZCTEOSA-N 0 1 288.366 3.779 20 0 CHADMN CCc1onc(C)c1CN[C@@H]1CCCc2cc(F)ccc21 ZINC000927138502 1128221397 /nfs/dbraw/zinc/22/13/97/1128221397.db2.gz FJNDYEPDBWAUCN-MRXNPFEDSA-N 0 1 288.366 3.852 20 0 CHADMN CCc1onc(C)c1CN[C@H]1CCc2c1cccc2Cl ZINC000927138613 1128221603 /nfs/dbraw/zinc/22/16/03/1128221603.db2.gz GTVPGFGLAKGNBN-HNNXBMFYSA-N 0 1 290.794 3.976 20 0 CHADMN CCc1onc(C)c1CN[C@H](C)c1ccc(F)cc1 ZINC000927141463 1128222025 /nfs/dbraw/zinc/22/20/25/1128222025.db2.gz SGWAXZGHKQMCNI-SNVBAGLBSA-N 0 1 262.328 3.535 20 0 CHADMN CCc1onc(C)c1CN[C@H](C)c1ccccc1C ZINC000927141473 1128222230 /nfs/dbraw/zinc/22/22/30/1128222230.db2.gz SINFGDMYGRERCN-GFCCVEGCSA-N 0 1 258.365 3.705 20 0 CHADMN COc1ccc(C)cc1CN(C)CCOc1cccc(C)c1 ZINC000559107757 1128223897 /nfs/dbraw/zinc/22/38/97/1128223897.db2.gz GRZAERYFNDIYGM-UHFFFAOYSA-N 0 1 299.414 3.823 20 0 CHADMN CN(C/C=C/c1ccncc1)Cc1ccc(F)c(F)c1 ZINC000495067560 1128227525 /nfs/dbraw/zinc/22/75/25/1128227525.db2.gz IWGAVELKBUUADR-NSCUHMNNSA-N 0 1 274.314 3.505 20 0 CHADMN C[C@@H](CNCc1nc(-c2ccccc2)no1)c1ccccc1 ZINC000559240467 1128228234 /nfs/dbraw/zinc/22/82/34/1128228234.db2.gz XYKNHSKGBPGAPH-AWEZNQCLSA-N 0 1 293.370 3.630 20 0 CHADMN CC[C@@H]1c2ccsc2CCN1Cc1cc(C)nnc1C ZINC000929274645 1128267445 /nfs/dbraw/zinc/26/74/45/1128267445.db2.gz ZIHROGXCRWJPGM-OAHLLOKOSA-N 0 1 287.432 3.664 20 0 CHADMN O=C(OCCC1CCCCCC1)[C@@H]1CCCc2[nH]ncc21 ZINC000798875301 1128231347 /nfs/dbraw/zinc/23/13/47/1128231347.db2.gz GZNJCOFDYKNZFS-CQSZACIVSA-N 0 1 290.407 3.733 20 0 CHADMN Cc1ccc(C)c(N[C@H](c2ccccn2)C(F)(F)F)n1 ZINC001168477294 1128231855 /nfs/dbraw/zinc/23/18/55/1128231855.db2.gz ISKQTRWMUBVCMY-GFCCVEGCSA-N 0 1 281.281 3.809 20 0 CHADMN CCC[C@@H](C)[N@H+]1CCc2c(Br)cccc2C1 ZINC001257325580 1128235861 /nfs/dbraw/zinc/23/58/61/1128235861.db2.gz LGPQXIKRLUAQMT-LLVKDONJSA-N 0 1 282.225 3.996 20 0 CHADMN CCC[C@@H](C)N1CCc2c(Br)cccc2C1 ZINC001257325580 1128235864 /nfs/dbraw/zinc/23/58/64/1128235864.db2.gz LGPQXIKRLUAQMT-LLVKDONJSA-N 0 1 282.225 3.996 20 0 CHADMN Cc1occc1CN(C)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929336579 1128270398 /nfs/dbraw/zinc/27/03/98/1128270398.db2.gz YJWWDPGIJFSMTF-QWHCGFSZSA-N 0 1 291.313 3.520 20 0 CHADMN C[C@H](Nc1ccc2nn[nH]c2c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670156174 1128272141 /nfs/dbraw/zinc/27/21/41/1128272141.db2.gz VIONSVKRPGXFPX-CQDKDKBSSA-N 0 1 278.359 3.562 20 0 CHADMN C[C@H](Nc1ccc2n[nH]nc2c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670156174 1128272144 /nfs/dbraw/zinc/27/21/44/1128272144.db2.gz VIONSVKRPGXFPX-CQDKDKBSSA-N 0 1 278.359 3.562 20 0 CHADMN CC(C)n1ccn(CN2CC3(CCC3)C[C@H]2C)c1=S ZINC000762145793 1128272482 /nfs/dbraw/zinc/27/24/82/1128272482.db2.gz YIPIHJZOOHFLFS-CYBMUJFWSA-N 0 1 279.453 3.822 20 0 CHADMN C[C@@H](c1ncccn1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000929488285 1128275047 /nfs/dbraw/zinc/27/50/47/1128275047.db2.gz AZQHCRLTLHJNGX-DOTOQJQBSA-N 0 1 281.403 3.807 20 0 CHADMN CCN(Cc1ccoc1)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929477873 1128275438 /nfs/dbraw/zinc/27/54/38/1128275438.db2.gz JHKZKURZPMIMEK-QWHCGFSZSA-N 0 1 291.313 3.602 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(C)cc(C)n2)s1 ZINC000929501368 1128275937 /nfs/dbraw/zinc/27/59/37/1128275937.db2.gz PRLXJUTXHMUMQT-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN CC[C@@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@H](C)O1 ZINC000929620385 1128279716 /nfs/dbraw/zinc/27/97/16/1128279716.db2.gz RKNRFDATTYTRHC-LCGIIJARSA-N 0 1 295.373 3.535 20 0 CHADMN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1c(F)cncc1F ZINC000929718443 1128283705 /nfs/dbraw/zinc/28/37/05/1128283705.db2.gz PCKMUHQBTDMVPZ-HFAKWTLXSA-N 0 1 266.335 3.513 20 0 CHADMN CCN(Cc1cc(C)cc(C)n1)[C@H](C)c1cccc(O)c1 ZINC000929800732 1128288697 /nfs/dbraw/zinc/28/86/97/1128288697.db2.gz VXBDGFYVHTUHNU-OAHLLOKOSA-N 0 1 284.403 3.987 20 0 CHADMN CCc1onc(C)c1CN(CCC(F)(F)F)CC1CC1 ZINC000929817015 1128288984 /nfs/dbraw/zinc/28/89/84/1128288984.db2.gz DREMAHKEXGVAAZ-UHFFFAOYSA-N 0 1 290.329 3.710 20 0 CHADMN CN(Cc1nccs1)CC1CCC2(CC2)CC1 ZINC000929767323 1128286639 /nfs/dbraw/zinc/28/66/39/1128286639.db2.gz DEWKIVDRFKLFAS-UHFFFAOYSA-N 0 1 250.411 3.545 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CCC(OC(C)(C)C)CC1 ZINC000929837221 1128290499 /nfs/dbraw/zinc/29/04/99/1128290499.db2.gz YHJLPINQNNPXDW-GFCCVEGCSA-N 0 1 280.387 3.561 20 0 CHADMN CC(C)N(CC1CC1)Cn1ccn(C(C)C)c1=S ZINC000915209520 1128291692 /nfs/dbraw/zinc/29/16/92/1128291692.db2.gz ZKFLGVMOLQTGQG-UHFFFAOYSA-N 0 1 267.442 3.678 20 0 CHADMN Cc1cn(C)nc1CN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000929893481 1128292989 /nfs/dbraw/zinc/29/29/89/1128292989.db2.gz PXOMRERVIPLRHQ-INIZCTEOSA-N 0 1 289.398 3.745 20 0 CHADMN Cc1nc(C(C)C)sc1[C@@H](C)N(C)CCOC1CC1 ZINC000930096039 1128299939 /nfs/dbraw/zinc/29/99/39/1128299939.db2.gz OOSJFVYFRXOSRC-GFCCVEGCSA-N 0 1 282.453 3.747 20 0 CHADMN c1cc2ccc(CN(Cc3ccncc3)C3CC3)cc2[nH]1 ZINC000930112522 1128300977 /nfs/dbraw/zinc/30/09/77/1128300977.db2.gz WCVBNVVYEDHHLP-UHFFFAOYSA-N 0 1 277.371 3.728 20 0 CHADMN COc1cccc(C[N@@H+](C)[C@@H](C)c2ccccn2)c1C ZINC000930118633 1128302674 /nfs/dbraw/zinc/30/26/74/1128302674.db2.gz GXDWXPMVBWYWGO-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN COc1cccc(CN(C)[C@@H](C)c2ccccn2)c1C ZINC000930118633 1128302677 /nfs/dbraw/zinc/30/26/77/1128302677.db2.gz GXDWXPMVBWYWGO-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN Cc1nc(C)c(CN2CC=C(c3cccc(C)c3)CC2)[nH]1 ZINC000930170357 1128304405 /nfs/dbraw/zinc/30/44/05/1128304405.db2.gz ZRUJBWKBHWTZLK-UHFFFAOYSA-N 0 1 281.403 3.624 20 0 CHADMN Cc1cccc(-c2nnc([C@@H](C)N3C4CCC3CC4)o2)c1 ZINC000915360082 1128307723 /nfs/dbraw/zinc/30/77/23/1128307723.db2.gz KCWSINNFAIIKPX-LRVUVFPRSA-N 0 1 283.375 3.733 20 0 CHADMN Cc1nc[nH]c1C(=O)O[C@H](C)c1oc2ccccc2c1C ZINC001122989288 1128311429 /nfs/dbraw/zinc/31/14/29/1128311429.db2.gz JDQBYWSQRSEXPM-LLVKDONJSA-N 0 1 284.315 3.691 20 0 CHADMN CCc1cccc(CN(CC)Cc2ccccc2)n1 ZINC001235248779 1128315898 /nfs/dbraw/zinc/31/58/98/1128315898.db2.gz FRYRFBIPGQUTEF-UHFFFAOYSA-N 0 1 254.377 3.666 20 0 CHADMN CCc1cc(CN2CCC[C@H]2c2cccc(OC)c2)on1 ZINC001203226937 1128317007 /nfs/dbraw/zinc/31/70/07/1128317007.db2.gz SUORDBBTKCQICT-KRWDZBQOSA-N 0 1 286.375 3.583 20 0 CHADMN CCS[C@@H]1CCC[C@H]1NCc1coc(C(C)(C)C)n1 ZINC000930437767 1128318670 /nfs/dbraw/zinc/31/86/70/1128318670.db2.gz BFLTYTAAAZJBNS-CHWSQXEVSA-N 0 1 282.453 3.736 20 0 CHADMN CCC/C(C)=C/C(=O)Nc1cccc(Cl)c1O ZINC000762804742 1128318965 /nfs/dbraw/zinc/31/89/65/1128318965.db2.gz JCVJYRVECKMATH-CMDGGOBGSA-N 0 1 253.729 3.731 20 0 CHADMN CC(C)c1cnc(COC(=O)c2ccc(O)c(Cl)c2)o1 ZINC000762831896 1128319888 /nfs/dbraw/zinc/31/98/88/1128319888.db2.gz RFWCKQVIAKADDY-UHFFFAOYSA-N 0 1 295.722 3.514 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)N[C@H](C)c2cccc(O)c2)c1 ZINC000237359310 1128322102 /nfs/dbraw/zinc/32/21/02/1128322102.db2.gz VMWUSECJBYMNOD-QWHCGFSZSA-N 0 1 298.386 3.762 20 0 CHADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCCCC1 ZINC000930559104 1128325329 /nfs/dbraw/zinc/32/53/29/1128325329.db2.gz HPSLJANFIWIOCE-UHFFFAOYSA-N 0 1 294.305 3.518 20 0 CHADMN COc1cc(CN2CC=C(c3ccc(C)cc3)CC2)ccn1 ZINC000762915695 1128326867 /nfs/dbraw/zinc/32/68/67/1128326867.db2.gz CKVKWBUDZFZETM-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN Cc1[nH]c(SCCOC2CC2)nc1Cc1ccccc1 ZINC000915512405 1128328762 /nfs/dbraw/zinc/32/87/62/1128328762.db2.gz LXUKBEVVWYSSNA-UHFFFAOYSA-N 0 1 288.416 3.580 20 0 CHADMN C[C@H]1CCC(C)(C)N1Cc1coc(C(C)(C)C)n1 ZINC000930667386 1128330430 /nfs/dbraw/zinc/33/04/30/1128330430.db2.gz SHZUBPDXOLRFSD-NSHDSACASA-N 0 1 250.386 3.735 20 0 CHADMN Cc1nc(C)c(CSc2nc3ccc(C)cc3[nH]2)[nH]1 ZINC000915632004 1128331709 /nfs/dbraw/zinc/33/17/09/1128331709.db2.gz BIQMVUACMJSGQT-UHFFFAOYSA-N 0 1 272.377 3.504 20 0 CHADMN Cc1nc(C)c(CN[C@@H](c2ccccc2F)C(C)C)[nH]1 ZINC000930968304 1128342261 /nfs/dbraw/zinc/34/22/61/1128342261.db2.gz DQZUJRFSVUJALZ-MRXNPFEDSA-N 0 1 275.371 3.653 20 0 CHADMN CC(C)CCc1ccc(NC(=O)C2(N(C)C)CCC2)cc1 ZINC000763030639 1128347075 /nfs/dbraw/zinc/34/70/75/1128347075.db2.gz QHUGDKWTZMXKSE-UHFFFAOYSA-N 0 1 288.435 3.698 20 0 CHADMN CCc1ccc(C2CCN([C@@H](C)c3ncccn3)CC2)cc1 ZINC000931329522 1128356923 /nfs/dbraw/zinc/35/69/23/1128356923.db2.gz ATHJIZWAYULZJK-HNNXBMFYSA-N 0 1 295.430 3.980 20 0 CHADMN CC(C)CCN1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931388343 1128359434 /nfs/dbraw/zinc/35/94/34/1128359434.db2.gz UNTZORZGWSNOAL-KRWDZBQOSA-N 0 1 287.382 3.542 20 0 CHADMN Cc1ccnc(CN[C@H](C)c2ccc(F)cc2C)c1 ZINC000932559208 1128414731 /nfs/dbraw/zinc/41/47/31/1128414731.db2.gz BANCNWPBTXEUBD-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN CCN(Cc1ncc(-c2ccc(F)cc2)o1)C(C)C ZINC000194095082 1128362456 /nfs/dbraw/zinc/36/24/56/1128362456.db2.gz WFJFIIRIEUCUBR-UHFFFAOYSA-N 0 1 262.328 3.711 20 0 CHADMN Cc1ccc(CN2CCCC[C@H]2c2cc[nH]n2)c(C)c1 ZINC000561967091 1128366301 /nfs/dbraw/zinc/36/63/01/1128366301.db2.gz FSTCXYNGVBLVOC-KRWDZBQOSA-N 0 1 269.392 3.754 20 0 CHADMN FC[C@@H](NCCSc1ccncc1)c1ccc(F)cc1 ZINC000931557390 1128368486 /nfs/dbraw/zinc/36/84/86/1128368486.db2.gz HDXIIMOZLXPXAM-OAHLLOKOSA-N 0 1 294.370 3.613 20 0 CHADMN Cc1cncc([C@H]2CCCN2Cc2cc(C)cc(C)n2)c1 ZINC000931567099 1128370163 /nfs/dbraw/zinc/37/01/63/1128370163.db2.gz NJFMJFPECXVAMG-GOSISDBHSA-N 0 1 281.403 3.739 20 0 CHADMN CCN(C(=O)c1cc(C)[nH]n1)[C@@H](C)c1cc2ccccc2o1 ZINC000055605003 1128373008 /nfs/dbraw/zinc/37/30/08/1128373008.db2.gz CMMQGTCOMWDVQQ-LBPRGKRZSA-N 0 1 297.358 3.688 20 0 CHADMN C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(F)cc1Cl ZINC000562056976 1128374394 /nfs/dbraw/zinc/37/43/94/1128374394.db2.gz VGWAQPRPNZGKCC-PUMQYWBSSA-N 0 1 263.690 3.783 20 0 CHADMN Cc1cccc(CCCN2CCc3nc[nH]c3C23CCC3)c1 ZINC000931680510 1128375820 /nfs/dbraw/zinc/37/58/20/1128375820.db2.gz ZSZWESVTYACAEA-UHFFFAOYSA-N 0 1 295.430 3.588 20 0 CHADMN Fc1cc(F)c(CN[C@H]2CC[C@H]2C2CC2)c(F)c1F ZINC000562066094 1128376098 /nfs/dbraw/zinc/37/60/98/1128376098.db2.gz YPBGRVDTVJLYMP-UFBFGSQYSA-N 0 1 273.273 3.521 20 0 CHADMN Clc1ccc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)nc1 ZINC000931923041 1128387451 /nfs/dbraw/zinc/38/74/51/1128387451.db2.gz PYCJMRZVHMEFFK-PBHICJAKSA-N 0 1 284.790 3.509 20 0 CHADMN Clc1ccc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)nc1 ZINC000931923043 1128387618 /nfs/dbraw/zinc/38/76/18/1128387618.db2.gz PYCJMRZVHMEFFK-WMLDXEAASA-N 0 1 284.790 3.509 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@@H]2CCCc3ccc(O)cc32)cn1 ZINC000562280645 1128392788 /nfs/dbraw/zinc/39/27/88/1128392788.db2.gz JIQPQHHFAJBCLL-FZKQIMNGSA-N 0 1 299.418 3.898 20 0 CHADMN CC[C@H](C)N1CCN(c2ccc(F)c(Cl)c2F)CC1 ZINC001257437485 1128394913 /nfs/dbraw/zinc/39/49/13/1128394913.db2.gz JGVHAGFOLHHYOP-JTQLQIEISA-N 0 1 288.769 3.539 20 0 CHADMN CC(C)(C)OC[C@@H]1CCCN1Cc1ccncc1Cl ZINC000932170476 1128397365 /nfs/dbraw/zinc/39/73/65/1128397365.db2.gz FMVWYUHCYSJZEM-ZDUSSCGKSA-N 0 1 282.815 3.515 20 0 CHADMN CC(C)(C)OC[C@H]1CCCN1Cc1ccnc(Cl)c1 ZINC000932163969 1128397517 /nfs/dbraw/zinc/39/75/17/1128397517.db2.gz RQTTWEFAMWDSHQ-CYBMUJFWSA-N 0 1 282.815 3.515 20 0 CHADMN CC(C)[N@H+](Cc1ncccc1[O-])[C@H](C)c1ccccc1 ZINC000562386432 1128399357 /nfs/dbraw/zinc/39/93/57/1128399357.db2.gz CEZFZVIGSIKPFK-CQSZACIVSA-N 0 1 270.376 3.759 20 0 CHADMN CC(C)[N@@H+](Cc1ncccc1[O-])[C@H](C)c1ccccc1 ZINC000562386432 1128399361 /nfs/dbraw/zinc/39/93/61/1128399361.db2.gz CEZFZVIGSIKPFK-CQSZACIVSA-N 0 1 270.376 3.759 20 0 CHADMN CC(C)Oc1cccc(CN2CCC[C@H]2c2ccnn2C)c1 ZINC000932270084 1128401988 /nfs/dbraw/zinc/40/19/88/1128401988.db2.gz BZHAJJYDKVIRAI-SFHVURJKSA-N 0 1 299.418 3.544 20 0 CHADMN CCc1cnc(CN2CC[C@](C)(c3ccc(C)cc3)C2)o1 ZINC000562425968 1128402032 /nfs/dbraw/zinc/40/20/32/1128402032.db2.gz JZDVWFPVAJVEQP-SFHVURJKSA-N 0 1 284.403 3.709 20 0 CHADMN COC(C)(C)[C@@H](C)NCc1csc(C2CCCC2)n1 ZINC000932368944 1128406262 /nfs/dbraw/zinc/40/62/62/1128406262.db2.gz IMLJMKSXFKPZNF-LLVKDONJSA-N 0 1 282.453 3.704 20 0 CHADMN Cc1cc(C)c(CN[C@H](c2ccccn2)C2CC2)c(C)n1 ZINC000932386286 1128407287 /nfs/dbraw/zinc/40/72/87/1128407287.db2.gz ORFYZDYIQGLCBZ-SFHVURJKSA-N 0 1 281.403 3.643 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1Cl ZINC000328190079 1128408459 /nfs/dbraw/zinc/40/84/59/1128408459.db2.gz CTOLHKOIMUUZIX-AAEUAGOBSA-N 0 1 265.784 3.810 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1Cl ZINC000328190079 1128408462 /nfs/dbraw/zinc/40/84/62/1128408462.db2.gz CTOLHKOIMUUZIX-AAEUAGOBSA-N 0 1 265.784 3.810 20 0 CHADMN C[C@@H](COCC1CCCCC1)NCc1cc(C2CC2)no1 ZINC000932422836 1128409411 /nfs/dbraw/zinc/40/94/11/1128409411.db2.gz MHLISXKEISELDC-ZDUSSCGKSA-N 0 1 292.423 3.627 20 0 CHADMN CCC[C@@H](C)CC[C@@H](C)NCc1nc(C(=O)OC)cs1 ZINC001257463126 1128443269 /nfs/dbraw/zinc/44/32/69/1128443269.db2.gz JJAFPWREJHVEJV-VXGBXAGGSA-N 0 1 298.452 3.624 20 0 CHADMN C[C@H](NCc1cnccc1C(C)(C)C)c1ccoc1 ZINC000562738432 1128419704 /nfs/dbraw/zinc/41/97/04/1128419704.db2.gz DYGLLXHDJKKCLN-LBPRGKRZSA-N 0 1 258.365 3.823 20 0 CHADMN CC=CC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000916564324 1128426207 /nfs/dbraw/zinc/42/62/07/1128426207.db2.gz FSXOOEOBWQNJSC-KXFIGUGUSA-N 0 1 277.327 3.745 20 0 CHADMN COc1cccc(C[C@@H](C)N=c2[nH]c3ccccc3s2)c1 ZINC000496969479 1128430252 /nfs/dbraw/zinc/43/02/52/1128430252.db2.gz XQTJTQGHWQARMJ-GFCCVEGCSA-N 0 1 298.411 3.770 20 0 CHADMN CC1(C[NH2+]Cc2cccc([O-])c2Cl)CCCC1 ZINC000328371553 1128430681 /nfs/dbraw/zinc/43/06/81/1128430681.db2.gz QKQIQRZMKOGVCT-UHFFFAOYSA-N 0 1 253.773 3.716 20 0 CHADMN COc1cccc(CN[C@@H]2CCc3ccc(Cl)cc32)n1 ZINC000763397146 1128431679 /nfs/dbraw/zinc/43/16/79/1128431679.db2.gz XOPIGLPJYUIYQS-OAHLLOKOSA-N 0 1 288.778 3.521 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)C[C@H](O)c2ccccc2)cs1 ZINC000763396927 1128431735 /nfs/dbraw/zinc/43/17/35/1128431735.db2.gz FTUSMVWKLZELPS-WQGACYEGSA-N 0 1 290.432 3.614 20 0 CHADMN COc1cccc(CN[C@H]2CCc3ccc(Cl)cc32)n1 ZINC000763397145 1128431768 /nfs/dbraw/zinc/43/17/68/1128431768.db2.gz XOPIGLPJYUIYQS-HNNXBMFYSA-N 0 1 288.778 3.521 20 0 CHADMN CCN(C(=O)c1cccc2[nH]c(C(F)F)nc21)C1CCC1 ZINC000933220808 1128431835 /nfs/dbraw/zinc/43/18/35/1128431835.db2.gz GULNKGYEUIWFON-UHFFFAOYSA-N 0 1 293.317 3.515 20 0 CHADMN [O-]c1cccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1Cl ZINC000328496584 1128432421 /nfs/dbraw/zinc/43/24/21/1128432421.db2.gz VBUGNAOWWRJOCL-TXEJJXNPSA-N 0 1 265.784 3.668 20 0 CHADMN [O-]c1cccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1Cl ZINC000328496584 1128432422 /nfs/dbraw/zinc/43/24/22/1128432422.db2.gz VBUGNAOWWRJOCL-TXEJJXNPSA-N 0 1 265.784 3.668 20 0 CHADMN COc1ccc2oc(CN[C@@H](C)c3cccc(O)c3)cc2c1 ZINC000125018802 1128447638 /nfs/dbraw/zinc/44/76/38/1128447638.db2.gz KRKAMNNEEGFLFF-LBPRGKRZSA-N 0 1 297.354 3.998 20 0 CHADMN CCC[C@](C)(NCc1cc(C)ncn1)c1ccccc1 ZINC000934180370 1128453036 /nfs/dbraw/zinc/45/30/36/1128453036.db2.gz QIOONMDFVMERCN-KRWDZBQOSA-N 0 1 269.392 3.590 20 0 CHADMN C[C@H](NCc1ccccc1C1CC1)c1cncs1 ZINC000934193610 1128453817 /nfs/dbraw/zinc/45/38/17/1128453817.db2.gz KMYRGCLWSDTSKL-NSHDSACASA-N 0 1 258.390 3.871 20 0 CHADMN CCCCC1(NCc2nc(-c3ccsc3)no2)CC1 ZINC000934210219 1128454581 /nfs/dbraw/zinc/45/45/81/1128454581.db2.gz JKOJBRHIFQCLLB-UHFFFAOYSA-N 0 1 277.393 3.611 20 0 CHADMN C[C@@H](N[C@H]1CCc2c1cc(F)cc2F)c1cncs1 ZINC000934195439 1128454735 /nfs/dbraw/zinc/45/47/35/1128454735.db2.gz OKBBWZXKTKDSJP-OQPBUACISA-N 0 1 280.343 3.759 20 0 CHADMN Fc1ccc2ccc(CNCCC(F)(F)F)nc2c1F ZINC000638698126 1128460494 /nfs/dbraw/zinc/46/04/94/1128460494.db2.gz IBFOARLFYGYCSL-UHFFFAOYSA-N 0 1 290.235 3.555 20 0 CHADMN C[C@@H]1CCCC[C@@H]1CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000126198492 1128461582 /nfs/dbraw/zinc/46/15/82/1128461582.db2.gz URYUPRFTICLSCW-OIISXLGYSA-N 0 1 283.419 3.915 20 0 CHADMN CCCCc1nc(CNC(C)(C)CSC)cs1 ZINC000934675403 1128465584 /nfs/dbraw/zinc/46/55/84/1128465584.db2.gz HCSFSGXYMSNBBX-UHFFFAOYSA-N 0 1 272.483 3.717 20 0 CHADMN C[C@H](c1ccccc1F)N(C)C[C@@H](O)c1cccc(F)c1 ZINC000917012771 1128468088 /nfs/dbraw/zinc/46/80/88/1128468088.db2.gz DGOQQTZVTIYXTE-SJKOYZFVSA-N 0 1 291.341 3.691 20 0 CHADMN c1coc(-c2noc(CNC3(C4CCCCC4)CC3)n2)c1 ZINC000934786920 1128469293 /nfs/dbraw/zinc/46/92/93/1128469293.db2.gz FSCIWLREXDOLLD-UHFFFAOYSA-N 0 1 287.363 3.532 20 0 CHADMN CCC[C@@H](C)CC[C@H](C)N1CC2(C1)CCCCO2 ZINC001257474340 1128475406 /nfs/dbraw/zinc/47/54/06/1128475406.db2.gz ANRVBGYNIFNQTC-CABCVRRESA-N 0 1 253.430 3.846 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](c2ccccc2F)[C@H](C)O)s1 ZINC000563816338 1128479906 /nfs/dbraw/zinc/47/99/06/1128479906.db2.gz KORCHDBAKWVDLM-MKBNYLNASA-N 0 1 293.407 3.968 20 0 CHADMN Cc1ncsc1CN(C)CCOc1cccc(Cl)c1 ZINC000066666675 1128476471 /nfs/dbraw/zinc/47/64/71/1128476471.db2.gz WMIODUITBQMBKR-UHFFFAOYSA-N 0 1 296.823 3.616 20 0 CHADMN c1c[nH]c([C@H]2CCCN2Cc2c[nH]nc2-c2cccs2)c1 ZINC000127438244 1128477606 /nfs/dbraw/zinc/47/76/06/1128477606.db2.gz MNUWSBGGYFBJRE-CQSZACIVSA-N 0 1 298.415 3.803 20 0 CHADMN CC(C)COc1cccc(CN2CCC[C@H]2CF)c1 ZINC000563876392 1128482985 /nfs/dbraw/zinc/48/29/85/1128482985.db2.gz ASYCLKAQSNYVAC-HNNXBMFYSA-N 0 1 265.372 3.655 20 0 CHADMN C[C@H](c1ccncc1)N(C)Cc1ccc(OC(F)F)cc1 ZINC000067715581 1128487091 /nfs/dbraw/zinc/48/70/91/1128487091.db2.gz IZVUYXMPGXZTNR-GFCCVEGCSA-N 0 1 292.329 3.876 20 0 CHADMN CC(=O)c1cc(CN(C)[C@@H]2CCC[C@H]2c2ccccc2)on1 ZINC000563970000 1128487674 /nfs/dbraw/zinc/48/76/74/1128487674.db2.gz GSUIUQVZQDWSDW-FUHWJXTLSA-N 0 1 298.386 3.645 20 0 CHADMN Cc1ccc(NC(=O)Cc2n[nH]c3ccccc32)cc1Cl ZINC000128298712 1128490744 /nfs/dbraw/zinc/49/07/44/1128490744.db2.gz KSBUTCWDOIYSRZ-UHFFFAOYSA-N 0 1 299.761 3.706 20 0 CHADMN CC[C@H](C)N(C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000068450032 1128511550 /nfs/dbraw/zinc/51/15/50/1128511550.db2.gz DYOSHGKJAGGFSH-LBPRGKRZSA-N 0 1 282.815 3.626 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCC3(C2)CCCCC3)cs1 ZINC000565108330 1128519693 /nfs/dbraw/zinc/51/96/93/1128519693.db2.gz XPKWUBVYCICCFX-UHFFFAOYSA-N 0 1 279.405 3.603 20 0 CHADMN CCCC[C@@H]1CCC[C@H]1NCc1nccc(C(F)F)n1 ZINC000567134178 1128558902 /nfs/dbraw/zinc/55/89/02/1128558902.db2.gz DDFGBXSZXGUIRJ-VXGBXAGGSA-N 0 1 283.366 3.863 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2ccc3[nH]ccc3c2)n[nH]1 ZINC000565218521 1128521448 /nfs/dbraw/zinc/52/14/48/1128521448.db2.gz RPAGFDCMQIMHEW-RYUDHWBXSA-N 0 1 297.406 3.650 20 0 CHADMN Cc1nc2cc(N[C@@H]3CC=C(C)CC3)ccc2n1C ZINC000567258071 1128561769 /nfs/dbraw/zinc/56/17/69/1128561769.db2.gz JPNNTOKRGHZYJO-CYBMUJFWSA-N 0 1 255.365 3.792 20 0 CHADMN Fc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000565301497 1128523804 /nfs/dbraw/zinc/52/38/04/1128523804.db2.gz VSHJQAJKPOLIKI-WBMJQRKESA-N 0 1 297.801 3.870 20 0 CHADMN CC[C@@H]1[C@@H](C)CCN1Cc1cc(C(C)(C)C)on1 ZINC000565389504 1128525545 /nfs/dbraw/zinc/52/55/45/1128525545.db2.gz DGBNKRWGXZNGSA-WCQYABFASA-N 0 1 250.386 3.593 20 0 CHADMN COc1cccc([C@H]2C[C@H](N[C@@H](C)c3cscn3)C2)c1 ZINC000565463066 1128526742 /nfs/dbraw/zinc/52/67/42/1128526742.db2.gz CPVYARROTRUEEB-UBHSHLNASA-N 0 1 288.416 3.749 20 0 CHADMN CC[C@H](Cc1ccccc1)[N@@H+](CC)Cc1ncccc1[O-] ZINC000565508387 1128527574 /nfs/dbraw/zinc/52/75/74/1128527574.db2.gz RSQPPKUXYYVRMS-MRXNPFEDSA-N 0 1 284.403 3.630 20 0 CHADMN Cc1oc([C@@H](C)[N@@H+](C)Cc2cccc(C)c2)cc1C(=O)[O-] ZINC000565721898 1128531054 /nfs/dbraw/zinc/53/10/54/1128531054.db2.gz XUHQEBCDMSZZCK-GFCCVEGCSA-N 0 1 287.359 3.788 20 0 CHADMN CCCc1csc(C[N@@H+](C)[C@@H](C)C(C)(C)C)n1 ZINC000565693369 1128531534 /nfs/dbraw/zinc/53/15/34/1128531534.db2.gz MAFUAXHYHOXOJB-NSHDSACASA-N 0 1 254.443 3.962 20 0 CHADMN CCCc1csc(CN(C)[C@@H](C)C(C)(C)C)n1 ZINC000565693369 1128531535 /nfs/dbraw/zinc/53/15/35/1128531535.db2.gz MAFUAXHYHOXOJB-NSHDSACASA-N 0 1 254.443 3.962 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000565918144 1128534936 /nfs/dbraw/zinc/53/49/36/1128534936.db2.gz VQVSXSJMHKVQII-OAHLLOKOSA-N 0 1 274.408 3.722 20 0 CHADMN [O-]c1cccnc1C[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000565918144 1128534939 /nfs/dbraw/zinc/53/49/39/1128534939.db2.gz VQVSXSJMHKVQII-OAHLLOKOSA-N 0 1 274.408 3.722 20 0 CHADMN CO[C@@H](C)[C@@H](C)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000565976637 1128535691 /nfs/dbraw/zinc/53/56/91/1128535691.db2.gz AFJDJZJSCVACGI-UPJWGTAASA-N 0 1 290.432 3.884 20 0 CHADMN CCCCOc1ccc(-c2nc([C@H](N)C(C)C)no2)cc1 ZINC000041123407 1128536353 /nfs/dbraw/zinc/53/63/53/1128536353.db2.gz WXECPPMOIRUCBR-CQSZACIVSA-N 0 1 289.379 3.571 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000041123578 1128536626 /nfs/dbraw/zinc/53/66/26/1128536626.db2.gz GHRYTCYISJQLEZ-JTQLQIEISA-N 0 1 286.162 3.699 20 0 CHADMN F[C@H]1CCC[C@@H](NCc2ncc(C(F)(F)F)s2)C1 ZINC000566217510 1128540082 /nfs/dbraw/zinc/54/00/82/1128540082.db2.gz RKJBEWCWBPMRBS-JGVFFNPUSA-N 0 1 282.306 3.532 20 0 CHADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC000566368810 1128543509 /nfs/dbraw/zinc/54/35/09/1128543509.db2.gz RZIPDVZVQVEDTL-KSZLIROESA-N 0 1 299.414 3.639 20 0 CHADMN CCc1nc(CN2CCC[C@H]2[C@@H](CC)c2ccccc2)no1 ZINC000069679348 1128545893 /nfs/dbraw/zinc/54/58/93/1128545893.db2.gz YTWOOWCVFMAIRP-HOTGVXAUSA-N 0 1 299.418 3.790 20 0 CHADMN Cc1ncc(CN[C@@H]2CCCc3sc(Cl)cc32)n1C ZINC000566498832 1128546035 /nfs/dbraw/zinc/54/60/35/1128546035.db2.gz HWTUDNLXAIIIMO-GFCCVEGCSA-N 0 1 295.839 3.611 20 0 CHADMN Cc1oncc1CN[C@H](C)c1ccc2ccccc2c1 ZINC000129686925 1128549905 /nfs/dbraw/zinc/54/99/05/1128549905.db2.gz WEUPQRVCSQJRJX-GFCCVEGCSA-N 0 1 266.344 3.987 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2ccc(Cl)cc2Cl)n1 ZINC000041671032 1128551630 /nfs/dbraw/zinc/55/16/30/1128551630.db2.gz FGNUUEZAXSFKCH-JTQLQIEISA-N 0 1 286.162 3.699 20 0 CHADMN CCCC[C@@H](C)N(C)Cc1nc(-c2ccsc2)no1 ZINC000566826852 1128552006 /nfs/dbraw/zinc/55/20/06/1128552006.db2.gz VAGMPJQUHXOORO-LLVKDONJSA-N 0 1 279.409 3.809 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)o1 ZINC000566921467 1128554422 /nfs/dbraw/zinc/55/44/22/1128554422.db2.gz YCTPSFYJRSLFJH-XVJNWHFHSA-N 0 1 297.354 3.656 20 0 CHADMN CC1=CCN(Cc2nc(C(C)C)n3ccccc23)CC1 ZINC000566918078 1128554510 /nfs/dbraw/zinc/55/45/10/1128554510.db2.gz IKXDYMOWZGQUNW-UHFFFAOYSA-N 0 1 269.392 3.610 20 0 CHADMN O=C(OCCN1CCCCC1)c1cc2sccc2s1 ZINC000918543840 1128554934 /nfs/dbraw/zinc/55/49/34/1128554934.db2.gz QZAFFSRDGUSYSL-UHFFFAOYSA-N 0 1 295.429 3.606 20 0 CHADMN F[C@@H]1CCCN(Cc2cccc(-c3cccnc3)c2)C1 ZINC000566978865 1128555650 /nfs/dbraw/zinc/55/56/50/1128555650.db2.gz CNZOTGHELTWULS-QGZVFWFLSA-N 0 1 270.351 3.683 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1cccc2c1OCCO2 ZINC000068270781 1128503168 /nfs/dbraw/zinc/50/31/68/1128503168.db2.gz MDFXKFKFFOVPCB-LBPRGKRZSA-N 0 1 289.400 3.712 20 0 CHADMN C[C@@H]1CN(Cc2ccc3c(n2)CCC3)[C@@H]1c1ccccc1 ZINC000567447717 1128565073 /nfs/dbraw/zinc/56/50/73/1128565073.db2.gz FHQJOUZZDHLATN-KUHUBIRLSA-N 0 1 278.399 3.763 20 0 CHADMN CCC(=O)CCC[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000556226402 1128565048 /nfs/dbraw/zinc/56/50/48/1128565048.db2.gz NUVBOLPBCBCBLK-GFCCVEGCSA-N 0 1 263.356 3.504 20 0 CHADMN CCC(=O)CCCN1CCc2cccc(F)c2[C@H]1C ZINC000556226402 1128565050 /nfs/dbraw/zinc/56/50/50/1128565050.db2.gz NUVBOLPBCBCBLK-GFCCVEGCSA-N 0 1 263.356 3.504 20 0 CHADMN CCc1nc2c(s1)[C@H]([N@@H+](C)C/C=C(/C)COC)CCC2 ZINC000930035873 1128567060 /nfs/dbraw/zinc/56/70/60/1128567060.db2.gz WXFUXMGSHMRTNW-FWLQQBITSA-N 0 1 294.464 3.607 20 0 CHADMN CC1(C)CN(C/C=C\c2ccccc2)[C@@H]1[C@H]1CCCO1 ZINC000567548705 1128567206 /nfs/dbraw/zinc/56/72/06/1128567206.db2.gz NNROGRHBOHXILW-HJMWAZGYSA-N 0 1 271.404 3.589 20 0 CHADMN Cc1cc(OCc2ccc(C(F)(F)F)cn2)cc(C)n1 ZINC000556289601 1128573129 /nfs/dbraw/zinc/57/31/29/1128573129.db2.gz VXRAPGFICVPVLT-UHFFFAOYSA-N 0 1 282.265 3.691 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1c(O)cccc1F ZINC000130225171 1128574054 /nfs/dbraw/zinc/57/40/54/1128574054.db2.gz JXKJARXJRBRECL-YPMHNXCESA-N 0 1 279.355 3.572 20 0 CHADMN CC[C@@H](C(=O)O[C@H](C)c1c(F)cccc1F)N(CC)CC ZINC000778616950 1128574779 /nfs/dbraw/zinc/57/47/79/1128574779.db2.gz CTULWYQDNHBVHU-RISCZKNCSA-N 0 1 299.361 3.689 20 0 CHADMN CC(C)C[N@@H+](C)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000568061908 1128577391 /nfs/dbraw/zinc/57/73/91/1128577391.db2.gz WMKIZOXEBCCTQK-LBPRGKRZSA-N 0 1 290.190 3.707 20 0 CHADMN O=C1CCN(CCCCc2ccccc2)C2(CCC2)C1 ZINC000568104866 1128577638 /nfs/dbraw/zinc/57/76/38/1128577638.db2.gz HZFFDWKAWRSNJF-UHFFFAOYSA-N 0 1 271.404 3.597 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@@H](CC(F)F)c1ccccc1 ZINC000568239492 1128580269 /nfs/dbraw/zinc/58/02/69/1128580269.db2.gz NGFQTQVRZWJCNA-DOMZBBRYSA-N 0 1 291.345 3.832 20 0 CHADMN CCOc1ccccc1CN(C)Cc1ccc(COC)cc1 ZINC000130433909 1128582755 /nfs/dbraw/zinc/58/27/55/1128582755.db2.gz DHGGMSWDVWBNAD-UHFFFAOYSA-N 0 1 299.414 3.864 20 0 CHADMN Cc1ccc2ccnc(NCc3n[nH]c(C(C)(C)C)n3)c2c1 ZINC000568625021 1128589324 /nfs/dbraw/zinc/58/93/24/1128589324.db2.gz VMPKHBAZZZWBHT-UHFFFAOYSA-N 0 1 295.390 3.571 20 0 CHADMN Cc1[nH]ncc1CN1CCC[C@H](C)c2ccccc21 ZINC000568736490 1128590806 /nfs/dbraw/zinc/59/08/06/1128590806.db2.gz PXLHONIOYITQGU-LBPRGKRZSA-N 0 1 255.365 3.622 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])CC1(C)C ZINC000568873661 1128592914 /nfs/dbraw/zinc/59/29/14/1128592914.db2.gz CKHQIZOVLBMSAV-NSHDSACASA-N 0 1 295.810 3.906 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1cccc2ccccc21 ZINC000568885122 1128593888 /nfs/dbraw/zinc/59/38/88/1128593888.db2.gz CHIHQEGDOFCUGX-KEYYUXOJSA-N 0 1 297.398 3.913 20 0 CHADMN CC(C)OC1CCN(Cc2cc(Cl)cs2)CC1 ZINC000568941997 1128594425 /nfs/dbraw/zinc/59/44/25/1128594425.db2.gz GTOYBQVKZQOBHF-UHFFFAOYSA-N 0 1 273.829 3.791 20 0 CHADMN CC(C)c1scnc1C(=O)Nc1cccc(Cl)c1O ZINC000568924656 1128594776 /nfs/dbraw/zinc/59/47/76/1128594776.db2.gz SDCQCARNLYMGDO-UHFFFAOYSA-N 0 1 296.779 3.878 20 0 CHADMN CCN(Cc1cc(C(C)(C)C)on1)CC1CCC1 ZINC000570088232 1128615360 /nfs/dbraw/zinc/61/53/60/1128615360.db2.gz VWCPMJAKEUQLHD-UHFFFAOYSA-N 0 1 250.386 3.594 20 0 CHADMN C[C@H]1C[C@H](CN2CCc3sc(Cl)cc3C2)CCO1 ZINC000568979683 1128595434 /nfs/dbraw/zinc/59/54/34/1128595434.db2.gz NBMAYMLGBIVQAQ-WDEREUQCSA-N 0 1 285.840 3.575 20 0 CHADMN Cc1c(CN(C)Cc2c(C)cc(Cl)cc2C)cnn1C ZINC000569073820 1128597475 /nfs/dbraw/zinc/59/74/75/1128597475.db2.gz YBIUCCHFGDFDKX-UHFFFAOYSA-N 0 1 291.826 3.631 20 0 CHADMN Cc1ccc(-c2cc(C(=O)OCc3cccc(C)c3)[nH]n2)o1 ZINC000919325621 1128601704 /nfs/dbraw/zinc/60/17/04/1128601704.db2.gz NDCFOKPWCYSPPS-UHFFFAOYSA-N 0 1 296.326 3.644 20 0 CHADMN C[C@@H](CC(=O)[O-])[N@@H+](C)CCCc1cccc2ccccc21 ZINC000569260364 1128602577 /nfs/dbraw/zinc/60/25/77/1128602577.db2.gz SAPPNDAHIKOBNI-AWEZNQCLSA-N 0 1 285.387 3.567 20 0 CHADMN C[C@@H](c1ccco1)N(C)Cc1c[nH]nc1-c1ccccc1 ZINC000131058414 1128603383 /nfs/dbraw/zinc/60/33/83/1128603383.db2.gz BHXQLVBFWDJHKX-ZDUSSCGKSA-N 0 1 281.359 3.863 20 0 CHADMN CCC(CC)[C@H](NCc1cnccn1)c1cccs1 ZINC000569324874 1128604424 /nfs/dbraw/zinc/60/44/24/1128604424.db2.gz VMFKVCKKKQGXIQ-HNNXBMFYSA-N 0 1 275.421 3.805 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)[C@@H](C(=O)[O-])C1 ZINC000570100619 1128616259 /nfs/dbraw/zinc/61/62/59/1128616259.db2.gz SCVJIFKBPYOTON-SUMWQHHRSA-N 0 1 287.403 3.639 20 0 CHADMN CCCCN(C(=O)c1cc(CC)[nH]n1)[C@@H](C)c1ccccc1 ZINC000498807011 1128612674 /nfs/dbraw/zinc/61/26/74/1128612674.db2.gz QYKTZFGISYEROS-AWEZNQCLSA-N 0 1 299.418 3.976 20 0 CHADMN CC[N@H+](Cc1cccc(F)c1)[C@H](C(=O)[O-])c1ccsc1 ZINC000570168671 1128617507 /nfs/dbraw/zinc/61/75/07/1128617507.db2.gz FNFDCKRIKQAOBY-AWEZNQCLSA-N 0 1 293.363 3.535 20 0 CHADMN CC[N@@H+](Cc1cccc(F)c1)[C@H](C(=O)[O-])c1ccsc1 ZINC000570168671 1128617508 /nfs/dbraw/zinc/61/75/08/1128617508.db2.gz FNFDCKRIKQAOBY-AWEZNQCLSA-N 0 1 293.363 3.535 20 0 CHADMN CCCOc1ccc(CN(C)Cc2cccc(C)n2)cc1 ZINC000556762290 1128620395 /nfs/dbraw/zinc/62/03/95/1128620395.db2.gz YIGKIFOWTPAPIZ-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN C=Cn1cc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)cn1 ZINC000570318676 1128620803 /nfs/dbraw/zinc/62/08/03/1128620803.db2.gz UHKTWUWQLCRDIO-KBXCAEBGSA-N 0 1 297.402 3.575 20 0 CHADMN C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000570403983 1128622974 /nfs/dbraw/zinc/62/29/74/1128622974.db2.gz YISCVJBHACSXLK-QWRGUYRKSA-N 0 1 281.783 3.659 20 0 CHADMN Cc1cc(C)cc(CN[C@H](c2ccccc2F)[C@H](C)O)c1 ZINC000570688692 1128629565 /nfs/dbraw/zinc/62/95/65/1128629565.db2.gz DDKZBURBSXTMBY-KSSFIOAISA-N 0 1 287.378 3.654 20 0 CHADMN CCC1CCN(Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000499059467 1128635178 /nfs/dbraw/zinc/63/51/78/1128635178.db2.gz QNWKAMSUKHKILZ-UHFFFAOYSA-N 0 1 297.402 3.891 20 0 CHADMN CC(C)c1nc(CSc2nc3ccc(F)cc3o2)n[nH]1 ZINC000919853116 1128639344 /nfs/dbraw/zinc/63/93/44/1128639344.db2.gz ATNQQQGLXFBWJJ-UHFFFAOYSA-N 0 1 292.339 3.501 20 0 CHADMN COCCN(Cc1cc(C(C)(C)C)on1)[C@H]1CCC[C@@H]1C ZINC000571842065 1128639495 /nfs/dbraw/zinc/63/94/95/1128639495.db2.gz FQKGKHWBNSDZST-ZFWWWQNUSA-N 0 1 294.439 3.609 20 0 CHADMN CC(C)C1CCC([N@@H+](C)Cc2nnc(C3CC3)o2)CC1 ZINC000572678106 1128647098 /nfs/dbraw/zinc/64/70/98/1128647098.db2.gz MIYPDWXEZIKLLN-UHFFFAOYSA-N 0 1 277.412 3.594 20 0 CHADMN CC(C)C1CCC(N(C)Cc2nnc(C3CC3)o2)CC1 ZINC000572678106 1128647099 /nfs/dbraw/zinc/64/70/99/1128647099.db2.gz MIYPDWXEZIKLLN-UHFFFAOYSA-N 0 1 277.412 3.594 20 0 CHADMN c1ccc(Oc2ccc(CN3CCCCCC3)nn2)cc1 ZINC000499100404 1128647382 /nfs/dbraw/zinc/64/73/82/1128647382.db2.gz DXCSDVVTUSLOGL-UHFFFAOYSA-N 0 1 283.375 3.645 20 0 CHADMN C[C@H]1C[C@H](C)N(Cc2nc(C(C)(C)C)cs2)C1 ZINC000572688245 1128645919 /nfs/dbraw/zinc/64/59/19/1128645919.db2.gz LSJCRXHRIBOJJW-QWRGUYRKSA-N 0 1 252.427 3.671 20 0 CHADMN Cc1ncsc1CN[C@H]1CSCCc2ccccc21 ZINC000132467969 1128651304 /nfs/dbraw/zinc/65/13/04/1128651304.db2.gz JJDGHKPKSIJXAI-AWEZNQCLSA-N 0 1 290.457 3.572 20 0 CHADMN CC(C)(C)[C@H]1C[C@@H](Nc2cc3c(cn2)CCC3)CS1 ZINC000556958597 1128651828 /nfs/dbraw/zinc/65/18/28/1128651828.db2.gz HXXPPLFGBFKTJD-ZIAGYGMSSA-N 0 1 276.449 3.902 20 0 CHADMN CC(C)(C)C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000074052563 1128653630 /nfs/dbraw/zinc/65/36/30/1128653630.db2.gz QDNQOKNNQASFSY-UHFFFAOYSA-N 0 1 294.358 3.610 20 0 CHADMN CCC[N@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)CC1CC1 ZINC000573379587 1128653751 /nfs/dbraw/zinc/65/37/51/1128653751.db2.gz MXGHXUHWFACQEM-UHFFFAOYSA-N 0 1 281.783 3.660 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000573379401 1128653779 /nfs/dbraw/zinc/65/37/79/1128653779.db2.gz GFEPBBHIFLEANI-AEFFLSMTSA-N 0 1 289.419 3.585 20 0 CHADMN Cc1oc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)cc1C(=O)[O-] ZINC000573452500 1128654357 /nfs/dbraw/zinc/65/43/57/1128654357.db2.gz SFOXUORQMNCVLA-BLLLJJGKSA-N 0 1 299.370 3.664 20 0 CHADMN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CC1=CCCCC1 ZINC000573459795 1128654569 /nfs/dbraw/zinc/65/45/69/1128654569.db2.gz FUPBRQOSGHLFDL-IRXDYDNUSA-N 0 1 285.387 3.777 20 0 CHADMN C[C@H](c1ccccc1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000074159502 1128656420 /nfs/dbraw/zinc/65/64/20/1128656420.db2.gz SOBARSZDTPGQEA-KDOFPFPSSA-N 0 1 285.362 3.960 20 0 CHADMN FC(F)(F)CCCNc1noc2ccc(Cl)cc21 ZINC000573948212 1128659841 /nfs/dbraw/zinc/65/98/41/1128659841.db2.gz HZVQYZTXIUDALU-UHFFFAOYSA-N 0 1 278.661 3.658 20 0 CHADMN C[N@@H+](CCC1CCCCC1)Cc1ccc(C(=O)[O-])cc1F ZINC000575322306 1128666694 /nfs/dbraw/zinc/66/66/94/1128666694.db2.gz ARYMJXFGSKNKMF-UHFFFAOYSA-N 0 1 293.382 3.926 20 0 CHADMN Cc1cc(C)c([C@@H](C)OC(=O)c2[nH]nc3c2CCC3)c(C)c1 ZINC000920160590 1128668945 /nfs/dbraw/zinc/66/89/45/1128668945.db2.gz ITGNIYKNADDKOX-CYBMUJFWSA-N 0 1 298.386 3.742 20 0 CHADMN COc1c(C)cc(CNCc2ccc(Cl)o2)cc1C ZINC000920176690 1128670719 /nfs/dbraw/zinc/67/07/19/1128670719.db2.gz XIWGBGWUWSCROS-UHFFFAOYSA-N 0 1 279.767 3.848 20 0 CHADMN CN(C)Cc1ccc(NC(=O)C[C@@H]2C=CCCC2)cc1F ZINC000778956768 1128672571 /nfs/dbraw/zinc/67/25/71/1128672571.db2.gz RQQBBJBKVBQXGF-CYBMUJFWSA-N 0 1 290.382 3.572 20 0 CHADMN CC[C@@H](NCc1ccc([C@H](C)O)cc1)c1ccc(F)cn1 ZINC000779023159 1128685479 /nfs/dbraw/zinc/68/54/79/1128685479.db2.gz PAIJSXKYJSWLMN-BLLLJJGKSA-N 0 1 288.366 3.515 20 0 CHADMN CCC[C@@H](N)c1cc(-c2ccc(OCC)c(OC)c2)no1 ZINC000901385720 1128686747 /nfs/dbraw/zinc/68/67/47/1128686747.db2.gz UFCOJLHKDLYZDI-GFCCVEGCSA-N 0 1 290.363 3.549 20 0 CHADMN CCOc1cccc(CN[C@H](C)c2ccnc(Cl)c2)c1 ZINC000159399618 1128687944 /nfs/dbraw/zinc/68/79/44/1128687944.db2.gz YIEGQCFPYKVUPN-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN C[C@H](c1ccccn1)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000159404578 1128689011 /nfs/dbraw/zinc/68/90/11/1128689011.db2.gz YADVWEFVLNQSKP-DLBZAZTESA-N 0 1 295.430 3.521 20 0 CHADMN Cl/C=C(/Cl)CN1CCCN(Cc2ccccc2)CC1 ZINC000687647983 1128706978 /nfs/dbraw/zinc/70/69/78/1128706978.db2.gz WRTLNMNBUJGQHH-RVDMUPIBSA-N 0 1 299.245 3.513 20 0 CHADMN Clc1cnn(CN2CCC[C@@H]2CCc2ccccc2)c1 ZINC000921187000 1128702316 /nfs/dbraw/zinc/70/23/16/1128702316.db2.gz ZSLYISMVKPIXFP-MRXNPFEDSA-N 0 1 289.810 3.591 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000578012749 1128703640 /nfs/dbraw/zinc/70/36/40/1128703640.db2.gz WYZSKJHTGGQXPG-FMKPAKJESA-N 0 1 281.440 3.636 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cn3ccsc3n2)cc1 ZINC000134440934 1128707999 /nfs/dbraw/zinc/70/79/99/1128707999.db2.gz KBNVOBNSYMHSAX-GFCCVEGCSA-N 0 1 271.389 3.555 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000578137549 1128708506 /nfs/dbraw/zinc/70/85/06/1128708506.db2.gz MDICOQFBUIYAOV-XNRPHZJLSA-N 0 1 293.382 3.503 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1ccc2c(c1)C[C@H](C)O2 ZINC000921487442 1128709421 /nfs/dbraw/zinc/70/94/21/1128709421.db2.gz LYGVBRITHJYWFC-UONOGXRCSA-N 0 1 297.398 3.869 20 0 CHADMN c1cc(CN[C@H]2CCSc3ccccc32)n(C2CCC2)n1 ZINC000921488626 1128710230 /nfs/dbraw/zinc/71/02/30/1128710230.db2.gz BYZSVIHVFRXWLM-INIZCTEOSA-N 0 1 299.443 3.935 20 0 CHADMN CN(C/C=C/c1ccc(Cl)cc1)Cc1ccccn1 ZINC000578176776 1128710308 /nfs/dbraw/zinc/71/03/08/1128710308.db2.gz VPQBULSWANDYPQ-SNAWJCMRSA-N 0 1 272.779 3.880 20 0 CHADMN CCC1(CC)CCCN(Cc2cnc(Cl)cn2)CC1 ZINC000799167053 1128713950 /nfs/dbraw/zinc/71/39/50/1128713950.db2.gz ORYHBSWSIVLNNA-UHFFFAOYSA-N 0 1 281.831 3.922 20 0 CHADMN COc1ccc([C@@H](C)NCc2occc2C)cc1F ZINC000135134081 1128715119 /nfs/dbraw/zinc/71/51/19/1128715119.db2.gz UKQMJBXMZAJDEK-LLVKDONJSA-N 0 1 263.312 3.587 20 0 CHADMN Cc1ccc2nc(S[C@H](C)OC(=O)OC(C)C)[nH]c2c1 ZINC000175227812 1128720601 /nfs/dbraw/zinc/72/06/01/1128720601.db2.gz UAXYGUBHDWYJND-SNVBAGLBSA-N 0 1 294.376 3.871 20 0 CHADMN CCCc1ccc(NC(=O)c2c(O)cccc2F)cc1 ZINC000233397152 1128722263 /nfs/dbraw/zinc/72/22/63/1128722263.db2.gz MRHYWQFRCGSXNL-UHFFFAOYSA-N 0 1 273.307 3.736 20 0 CHADMN Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC2(CC(=O)[O-])CC2)c1 ZINC000578515048 1128720145 /nfs/dbraw/zinc/72/01/45/1128720145.db2.gz IFRQIFHHMSEBEL-INIZCTEOSA-N 0 1 287.403 3.695 20 0 CHADMN CC(C)C[C@H](C)C[C@@H](C)NC1(c2ncccn2)CC1 ZINC001258063390 1128726547 /nfs/dbraw/zinc/72/65/47/1128726547.db2.gz SEEXLDKLCOKTLX-UONOGXRCSA-N 0 1 261.413 3.516 20 0 CHADMN O=C([O-])CCCCC[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000578756253 1128728693 /nfs/dbraw/zinc/72/86/93/1128728693.db2.gz KGEYTTKAEAHRJT-UHFFFAOYSA-N 0 1 297.345 3.574 20 0 CHADMN O=C([O-])CCCCC[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000578756253 1128728695 /nfs/dbraw/zinc/72/86/95/1128728695.db2.gz KGEYTTKAEAHRJT-UHFFFAOYSA-N 0 1 297.345 3.574 20 0 CHADMN Cc1ccnc(CSc2nc3ccc(Cl)cc3[nH]2)n1 ZINC000339301756 1117751217 /nfs/dbraw/zinc/75/12/17/1117751217.db2.gz IWARZHXLJMFGHC-UHFFFAOYSA-N 0 1 290.779 3.607 20 0 CHADMN CC[C@H]1CN(CC)CCN1C(=O)CCCC1CCCCC1 ZINC000622651748 1117753275 /nfs/dbraw/zinc/75/32/75/1117753275.db2.gz QPYOUSPLCWOTSP-KRWDZBQOSA-N 0 1 294.483 3.680 20 0 CHADMN CC1(C)CC[C@@H](NCc2ccccn2)c2ccccc21 ZINC000034963772 1117755518 /nfs/dbraw/zinc/75/55/18/1117755518.db2.gz YDJBIPXURBYRRX-QGZVFWFLSA-N 0 1 266.388 3.984 20 0 CHADMN C[C@@H]1CSCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000683101685 1117767573 /nfs/dbraw/zinc/76/75/73/1117767573.db2.gz JVQDPXSLFHLHEG-JTQLQIEISA-N 0 1 273.804 3.664 20 0 CHADMN C[C@@H]1CSCCN(Cc2cccc(F)c2Cl)C1 ZINC000683101685 1117767575 /nfs/dbraw/zinc/76/75/75/1117767575.db2.gz JVQDPXSLFHLHEG-JTQLQIEISA-N 0 1 273.804 3.664 20 0 CHADMN OCC[C@@H](N[C@@H](c1ccc(F)cc1)C1CC1)c1ccco1 ZINC000274650399 1117780899 /nfs/dbraw/zinc/78/08/99/1117780899.db2.gz LGSWWMUVBDDMFL-NVXWUHKLSA-N 0 1 289.350 3.583 20 0 CHADMN CC[C@@H](CN(CC)Cn1cc[nH]c1=S)c1ccccc1 ZINC000185215324 1117790823 /nfs/dbraw/zinc/79/08/23/1117790823.db2.gz JLVWIUGOONHJCQ-AWEZNQCLSA-N 0 1 289.448 3.645 20 0 CHADMN Oc1cc(F)c(-c2cccc(-c3ccccn3)n2)cc1F ZINC001206762430 1117795781 /nfs/dbraw/zinc/79/57/81/1117795781.db2.gz XMGPVQXCBXQTLE-UHFFFAOYSA-N 0 1 284.265 3.794 20 0 CHADMN Cc1nc2ccc(CNCc3ccoc3C)cc2s1 ZINC000683144834 1117796398 /nfs/dbraw/zinc/79/63/98/1117796398.db2.gz WLYIGCRVKNDLBO-UHFFFAOYSA-N 0 1 272.373 3.796 20 0 CHADMN c1ncn2cccc(NCc3ccccc3C3CC3)c12 ZINC001167052708 1117798116 /nfs/dbraw/zinc/79/81/16/1117798116.db2.gz UTWCRLOCZUQJOY-UHFFFAOYSA-N 0 1 263.344 3.824 20 0 CHADMN CCOC1(CNCc2ncc(C(C)C)s2)CCCC1 ZINC000339478246 1117803814 /nfs/dbraw/zinc/80/38/14/1117803814.db2.gz PPOANEDEAWEFTN-UHFFFAOYSA-N 0 1 282.453 3.705 20 0 CHADMN Cc1ccc(-c2noc(CN(C3CCC3)C3CCC3)n2)cc1 ZINC000579789050 1117804461 /nfs/dbraw/zinc/80/44/61/1117804461.db2.gz MQSLZQDJDKBZOT-UHFFFAOYSA-N 0 1 297.402 3.952 20 0 CHADMN CN(C)c1ccc(CN2CCC[C@H]2c2ccsc2)cn1 ZINC000153565717 1117806210 /nfs/dbraw/zinc/80/62/10/1117806210.db2.gz WBVNYJJPAAFPLC-HNNXBMFYSA-N 0 1 287.432 3.546 20 0 CHADMN Clc1cnc(CNC[C@H]2C[C@H]2c2ccccc2)s1 ZINC000339509934 1117814411 /nfs/dbraw/zinc/81/44/11/1117814411.db2.gz AZPDLQSGOWGEDY-NEPJUHHUSA-N 0 1 278.808 3.690 20 0 CHADMN C[C@@H]1CCN(Cc2cscc2Cl)CCS1 ZINC000683164493 1117819449 /nfs/dbraw/zinc/81/94/49/1117819449.db2.gz GLUPJBMVDYKHKE-SECBINFHSA-N 0 1 261.843 3.729 20 0 CHADMN CCc1nc(CN[C@@H](C)c2cc(Cl)ccc2O)cs1 ZINC000185397014 1117819561 /nfs/dbraw/zinc/81/95/61/1117819561.db2.gz URLPEPDATIZTBL-VIFPVBQESA-N 0 1 296.823 3.915 20 0 CHADMN CCc1cc(NC(=O)[C@H]2C[C@H](C)Cc3cn[nH]c32)ccc1C ZINC000623208603 1117823970 /nfs/dbraw/zinc/82/39/70/1117823970.db2.gz WDPRBQULKFOSBK-BZNIZROVSA-N 0 1 297.402 3.585 20 0 CHADMN CCc1cnc(CN(C)C[C@@H](C)C(C)(C)C)s1 ZINC000670265200 1117825533 /nfs/dbraw/zinc/82/55/33/1117825533.db2.gz XUNQPNIFYGFVSB-LLVKDONJSA-N 0 1 254.443 3.820 20 0 CHADMN CSC[C@@H]1CCCN(Cc2ccc(Cl)o2)C1 ZINC000430196719 1117849639 /nfs/dbraw/zinc/84/96/39/1117849639.db2.gz SAPMEOBDBLNNHO-SNVBAGLBSA-N 0 1 259.802 3.508 20 0 CHADMN Fc1cccc(Cl)c1CNc1cc2c(cn1)CCC2 ZINC000339554451 1117851541 /nfs/dbraw/zinc/85/15/41/1117851541.db2.gz MBLJAPWPLXAKHN-UHFFFAOYSA-N 0 1 276.742 3.975 20 0 CHADMN Cc1cncc(CNCc2csc(C(F)(F)F)c2)c1 ZINC000623475673 1117861005 /nfs/dbraw/zinc/86/10/05/1117861005.db2.gz XNFVSNVTSUBXPN-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccnc1N ZINC000579195138 1128740815 /nfs/dbraw/zinc/74/08/15/1128740815.db2.gz VPJRSHJNTABPDL-UHFFFAOYSA-N 0 1 283.419 3.593 20 0 CHADMN CCC[C@H](CNCc1coc(-c2ccccc2)n1)OCC ZINC000623598781 1117877045 /nfs/dbraw/zinc/87/70/45/1117877045.db2.gz NFCLBWOWZJISPU-MRXNPFEDSA-N 0 1 288.391 3.636 20 0 CHADMN C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1cc(Cl)ccc1[O-] ZINC000185724547 1117879227 /nfs/dbraw/zinc/87/92/27/1117879227.db2.gz XBJWVCIDAKMKTJ-QMTHXVAHSA-N 0 1 285.840 3.982 20 0 CHADMN Cc1cnccc1CN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000648509872 1117879255 /nfs/dbraw/zinc/87/92/55/1117879255.db2.gz HGJOHUQPAKNSAZ-AAEUAGOBSA-N 0 1 272.314 3.553 20 0 CHADMN C[C@H](NCc1ccnc(OC2CCCC2)c1)c1ccoc1 ZINC000177976731 1117883165 /nfs/dbraw/zinc/88/31/65/1117883165.db2.gz HATWDJDOMVTEKY-ZDUSSCGKSA-N 0 1 286.375 3.847 20 0 CHADMN CCCOc1ccc(CN[C@@H](C)c2ccoc2)cc1 ZINC000178160499 1117887434 /nfs/dbraw/zinc/88/74/34/1117887434.db2.gz YVWYKUKMNREMNX-ZDUSSCGKSA-N 0 1 259.349 3.919 20 0 CHADMN F[C@@H]1CCC[C@@H]1NCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000339586044 1117890753 /nfs/dbraw/zinc/89/07/53/1117890753.db2.gz FFZYOPIZHCHAFX-CABCVRRESA-N 0 1 293.773 3.506 20 0 CHADMN COc1ccc(CCNC2(C(F)F)CCCCC2)cc1 ZINC000510108072 1117899218 /nfs/dbraw/zinc/89/92/18/1117899218.db2.gz IESOXHDJPAVSGH-UHFFFAOYSA-N 0 1 283.362 3.795 20 0 CHADMN OC[C@@H](N[C@H]1CCCc2ccc(F)cc21)c1ccsc1 ZINC000349401515 1117898892 /nfs/dbraw/zinc/89/88/92/1117898892.db2.gz DQBBFOYDWCOSHT-JKSUJKDBSA-N 0 1 291.391 3.588 20 0 CHADMN CSc1ccc([C@H](C)N[C@@H](CO)c2ccsc2)cc1 ZINC000349407277 1117898962 /nfs/dbraw/zinc/89/89/62/1117898962.db2.gz IZYCIRXASZJUQO-NHYWBVRUSA-N 0 1 293.457 3.854 20 0 CHADMN OC[C@H](N[C@H]1CCCc2sccc21)c1ccsc1 ZINC000349411560 1117898977 /nfs/dbraw/zinc/89/89/77/1117898977.db2.gz KUXANQMCPUIYMA-STQMWFEESA-N 0 1 279.430 3.510 20 0 CHADMN Cc1ccc2nc(CNC(=O)[C@@H]3CCCC(C)(C)C3)[nH]c2c1 ZINC000178980875 1117899309 /nfs/dbraw/zinc/89/93/09/1117899309.db2.gz YQAGEDUUNMAKDV-CYBMUJFWSA-N 0 1 299.418 3.704 20 0 CHADMN CCC[C@H](NCc1ccc([C@@H](C)O)cc1)c1ccccn1 ZINC000179463906 1128742791 /nfs/dbraw/zinc/74/27/91/1128742791.db2.gz RNGFSACHQMKMHG-PBHICJAKSA-N 0 1 284.403 3.766 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1cccc2c1OCO2 ZINC000036168082 1117907816 /nfs/dbraw/zinc/90/78/16/1117907816.db2.gz WIDUOPVASYNDAR-CYBMUJFWSA-N 0 1 269.344 3.575 20 0 CHADMN CCc1nocc1CN(C)[C@H]1CCCc2ccc(F)cc21 ZINC000339606336 1117911076 /nfs/dbraw/zinc/91/10/76/1117911076.db2.gz FLAAUCPNTLWZEZ-KRWDZBQOSA-N 0 1 288.366 3.886 20 0 CHADMN CC(C)CC[C@@H](NCc1nc(C2CC2)no1)C(C)(C)C ZINC000179907006 1117915784 /nfs/dbraw/zinc/91/57/84/1117915784.db2.gz KFPPCPLUSCILRD-CYBMUJFWSA-N 0 1 279.428 3.888 20 0 CHADMN CCCCCC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000041976587 1117916771 /nfs/dbraw/zinc/91/67/71/1117916771.db2.gz VPIDREGTVDVWFI-OAHLLOKOSA-N 0 1 292.423 3.503 20 0 CHADMN CCC[C@@H](C)CN1CCO[C@H](c2ccsc2)C1 ZINC000180545342 1117935195 /nfs/dbraw/zinc/93/51/95/1117935195.db2.gz RAAVNIAUBYJSEO-OCCSQVGLSA-N 0 1 253.411 3.558 20 0 CHADMN OCC[C@@H](NCc1cc[nH]c1)c1cc(Cl)cc(Cl)c1 ZINC000623798156 1117935989 /nfs/dbraw/zinc/93/59/89/1117935989.db2.gz NCTAJODTCQEIAZ-CQSZACIVSA-N 0 1 299.201 3.535 20 0 CHADMN C[C@@H]1CCN(Cc2cccc3nccn32)[C@H](c2ccco2)C1 ZINC000180565035 1117936403 /nfs/dbraw/zinc/93/64/03/1117936403.db2.gz CVTNFXIJYRRHCK-ZBFHGGJFSA-N 0 1 295.386 3.901 20 0 CHADMN COC(=O)CC[C@@H](N[C@@H](C)c1ccoc1)c1ccccc1 ZINC000180671161 1117937490 /nfs/dbraw/zinc/93/74/90/1117937490.db2.gz QPWHNESBZAVCRF-XJKSGUPXSA-N 0 1 287.359 3.625 20 0 CHADMN CC(C)(NCc1ccc(CO)o1)c1ccc2ccccc2c1 ZINC000623803459 1117939490 /nfs/dbraw/zinc/93/94/90/1117939490.db2.gz GTOWGCMXZLEWGN-UHFFFAOYSA-N 0 1 295.382 3.950 20 0 CHADMN CCOc1ccc(C[N@@H+]2CC=C(C)CC2)cc1OCC ZINC000339626887 1117940858 /nfs/dbraw/zinc/94/08/58/1117940858.db2.gz QPHGZSPZPZCOCI-UHFFFAOYSA-N 0 1 275.392 3.636 20 0 CHADMN CCOc1ccc(CN2CC=C(C)CC2)cc1OCC ZINC000339626887 1117940860 /nfs/dbraw/zinc/94/08/60/1117940860.db2.gz QPHGZSPZPZCOCI-UHFFFAOYSA-N 0 1 275.392 3.636 20 0 CHADMN Clc1ccc2c(c1)[C@H](NCc1cncs1)CCC2 ZINC000623833200 1117941244 /nfs/dbraw/zinc/94/12/44/1117941244.db2.gz ULOWHZKCYKUGER-CQSZACIVSA-N 0 1 278.808 3.964 20 0 CHADMN CCCC[C@H](C)N(CCCC)Cc1nnc(C2CC2)[nH]1 ZINC000339651788 1117948233 /nfs/dbraw/zinc/94/82/33/1117948233.db2.gz YKTCYUKAFRSTSY-ZDUSSCGKSA-N 0 1 278.444 3.863 20 0 CHADMN Cc1csc([C@H](C)N[C@@H](C)COc2cccc(F)c2)n1 ZINC000623870338 1117949407 /nfs/dbraw/zinc/94/94/07/1117949407.db2.gz WUWXLLKUHUODRP-JQWIXIFHSA-N 0 1 294.395 3.709 20 0 CHADMN CCC(CC)c1cc(CN[C@H](C)[C@@H]2CCCCO2)on1 ZINC000623899887 1117951222 /nfs/dbraw/zinc/95/12/22/1117951222.db2.gz WLIFGAFLAGCWOP-WBMJQRKESA-N 0 1 280.412 3.625 20 0 CHADMN Cc1ccnc(CN2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000339666384 1117951221 /nfs/dbraw/zinc/95/12/21/1117951221.db2.gz XARAUYUEYUNCRB-QGZVFWFLSA-N 0 1 281.403 3.555 20 0 CHADMN Cc1ccc(C)c(NC(=O)[C@@H](C)N2CC(C)=C[C@@H](C)C2)c1 ZINC000430261961 1117953535 /nfs/dbraw/zinc/95/35/35/1117953535.db2.gz KSGLITHPBFGQPZ-CZUORRHYSA-N 0 1 286.419 3.528 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC001266318397 1117953559 /nfs/dbraw/zinc/95/35/59/1117953559.db2.gz QMCLYZNEZYGKBB-ARFHVFGLSA-N 0 1 282.472 3.534 20 0 CHADMN C[C@@H](CN[C@H]1CCCc2scnc21)Oc1ccccc1 ZINC000623914666 1117953676 /nfs/dbraw/zinc/95/36/76/1117953676.db2.gz GHZNDALUFPBLMD-JSGCOSHPSA-N 0 1 288.416 3.578 20 0 CHADMN CC(C)Oc1cc(CN2CCC(CF)CC2)ccc1F ZINC001238460381 1117954614 /nfs/dbraw/zinc/95/46/14/1117954614.db2.gz MEJBYGCUNCSTBT-UHFFFAOYSA-N 0 1 283.362 3.794 20 0 CHADMN CC(C)c1nc(C[N@H+]2CC[C@@H](CC3CC3)C2)cs1 ZINC000339681275 1117954748 /nfs/dbraw/zinc/95/47/48/1117954748.db2.gz GXLZIFXUEPNPNP-ZDUSSCGKSA-N 0 1 264.438 3.889 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H](CC3CC3)C2)cs1 ZINC000339681275 1117954753 /nfs/dbraw/zinc/95/47/53/1117954753.db2.gz GXLZIFXUEPNPNP-ZDUSSCGKSA-N 0 1 264.438 3.889 20 0 CHADMN Cc1n[nH]cc1C[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000126041111 1117955271 /nfs/dbraw/zinc/95/52/71/1117955271.db2.gz BNFDVAHRJFQTJW-LBPRGKRZSA-N 0 1 269.348 3.657 20 0 CHADMN Cc1n[nH]cc1CN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000126041111 1117955273 /nfs/dbraw/zinc/95/52/73/1117955273.db2.gz BNFDVAHRJFQTJW-LBPRGKRZSA-N 0 1 269.348 3.657 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CCC(C)(F)F)CC(=O)[O-] ZINC000579377204 1128746389 /nfs/dbraw/zinc/74/63/89/1128746389.db2.gz UJLVVKONLZEAQN-CYBMUJFWSA-N 0 1 285.334 3.570 20 0 CHADMN CC(C)[C@]1(CO)CCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000339704041 1117959482 /nfs/dbraw/zinc/95/94/82/1117959482.db2.gz NPGTZDYSQYVQMX-MRXNPFEDSA-N 0 1 299.817 3.710 20 0 CHADMN Fc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCCc2scnc21 ZINC000623999734 1117967822 /nfs/dbraw/zinc/96/78/22/1117967822.db2.gz ZTRKLEUJHGGSNR-IACUBPJLSA-N 0 1 288.391 3.805 20 0 CHADMN Cc1cccc(NC(=O)[C@H](C)N2CC(C)=C[C@@H](C)C2)c1C ZINC000430269801 1117970217 /nfs/dbraw/zinc/97/02/17/1117970217.db2.gz SIAUJILWRPKEFI-WBMJQRKESA-N 0 1 286.419 3.528 20 0 CHADMN CCn1nccc1CN[C@@H](C)c1cccc(C(C)C)c1 ZINC000624017408 1117971389 /nfs/dbraw/zinc/97/13/89/1117971389.db2.gz ZRPFPNWYXRRQKY-AWEZNQCLSA-N 0 1 271.408 3.877 20 0 CHADMN Cc1ccc([C@H](C)NCc2c(C(F)(F)F)cnn2C)cc1 ZINC000624051669 1117976203 /nfs/dbraw/zinc/97/62/03/1117976203.db2.gz JRMMILMHZFELHV-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN C[C@@H](N[C@@H]1[C@@H](c2ccccc2)C1(C)C)c1cscn1 ZINC000624068179 1117978172 /nfs/dbraw/zinc/97/81/72/1117978172.db2.gz NVBVSWRATONUHJ-KCPJHIHWSA-N 0 1 272.417 3.986 20 0 CHADMN CCN(C(=O)c1ccc2cncn2c1)c1cccc(Cl)c1 ZINC000339848177 1117986961 /nfs/dbraw/zinc/98/69/61/1117986961.db2.gz UNPPHOLKPBMTKP-UHFFFAOYSA-N 0 1 299.761 3.654 20 0 CHADMN CCCCc1ccc(NC(=O)[C@H](N)c2ccccc2)cc1 ZINC000037287233 1117988475 /nfs/dbraw/zinc/98/84/75/1117988475.db2.gz MAXVEBXIFHMHOZ-QGZVFWFLSA-N 0 1 282.387 3.668 20 0 CHADMN CCCOc1ccccc1NC(=O)c1cccc2[nH]ncc21 ZINC000042028981 1117988590 /nfs/dbraw/zinc/98/85/90/1117988590.db2.gz CJJSVGGUQQVPFL-UHFFFAOYSA-N 0 1 295.342 3.604 20 0 CHADMN CCC(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000047408079 1117995851 /nfs/dbraw/zinc/99/58/51/1117995851.db2.gz HVOJMOWOSHFMEL-UHFFFAOYSA-N 0 1 283.306 3.718 20 0 CHADMN CCCCN1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000060101070 1118001177 /nfs/dbraw/zinc/00/11/77/1118001177.db2.gz DTSWUBOUOAMQPB-CQSZACIVSA-N 0 1 298.224 3.623 20 0 CHADMN CCc1nc(CN(CC)[C@@H](C)c2cc3ccccc3o2)n[nH]1 ZINC000181656148 1118003806 /nfs/dbraw/zinc/00/38/06/1118003806.db2.gz BBZGDJOKBSQABL-LBPRGKRZSA-N 0 1 298.390 3.696 20 0 CHADMN Cc1oncc1CSc1nc2ccc(Cl)cc2[nH]1 ZINC000181704247 1118004412 /nfs/dbraw/zinc/00/44/12/1118004412.db2.gz KBJYVHPICPSETL-UHFFFAOYSA-N 0 1 279.752 3.805 20 0 CHADMN CCO[C@H]1C[C@H](NCc2ccn(C(C)C)n2)C1(CC)CC ZINC000181781295 1118007090 /nfs/dbraw/zinc/00/70/90/1118007090.db2.gz BLBBTBSPDGQHEF-HOTGVXAUSA-N 0 1 293.455 3.537 20 0 CHADMN CC(C)OC(=O)C[C@@H](NCc1ccccc1)c1ccccc1 ZINC000181821655 1118007353 /nfs/dbraw/zinc/00/73/53/1118007353.db2.gz HBJCYBZLGRMOKZ-GOSISDBHSA-N 0 1 297.398 3.859 20 0 CHADMN CCN(C(=O)c1cccc2[nH]ncc21)c1cc(C)cc(C)c1 ZINC000042045155 1118010354 /nfs/dbraw/zinc/01/03/54/1118010354.db2.gz ZVIOWWSWTYIDLD-UHFFFAOYSA-N 0 1 293.370 3.846 20 0 CHADMN CN(Cc1nc2ccccc2n1C(F)F)C[C@@H]1CC1(C)C ZINC000662346342 1118011161 /nfs/dbraw/zinc/01/11/61/1118011161.db2.gz AMYULPISLOPTMM-NSHDSACASA-N 0 1 293.361 3.909 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN(C)[C@H](C)C1CC1 ZINC000037396273 1118011501 /nfs/dbraw/zinc/01/15/01/1118011501.db2.gz IFDPRTQKWQLPDH-GFCCVEGCSA-N 0 1 275.392 3.518 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)CC3(C)CC3)c2C1 ZINC000430301284 1118014702 /nfs/dbraw/zinc/01/47/02/1118014702.db2.gz IGHSMEHBDXIMFA-UHFFFAOYSA-N 0 1 286.419 3.787 20 0 CHADMN CC(C)c1csc([C@@H](C#N)C(=O)CCC2CC2)n1 ZINC000080456045 1118020203 /nfs/dbraw/zinc/02/02/03/1118020203.db2.gz RRTFIHAKWNOLQR-NSHDSACASA-N 0 1 262.378 3.633 20 0 CHADMN C[C@H]1CCCCN(Cc2cc(C(C)(C)C)on2)C1 ZINC000579530671 1128750457 /nfs/dbraw/zinc/75/04/57/1128750457.db2.gz HVGNSZIDKKASNS-LBPRGKRZSA-N 0 1 250.386 3.594 20 0 CHADMN C[C@@H](NCc1ccc(F)c(F)c1)c1ccccc1F ZINC000037493842 1118023416 /nfs/dbraw/zinc/02/34/16/1118023416.db2.gz VSWQKXVMHIOAIY-SNVBAGLBSA-N 0 1 265.278 3.955 20 0 CHADMN CC/C=C\CCCCCCN1CCN(C(=O)C(C)C)CC1 ZINC001209288411 1118023997 /nfs/dbraw/zinc/02/39/97/1118023997.db2.gz HTNJWUMFQCXSAV-WAYWQWQTSA-N 0 1 294.483 3.703 20 0 CHADMN CC/C=C\CCCCCC[N@H+]1CCC(=O)[C@@H](C)C1 ZINC001209286445 1118024139 /nfs/dbraw/zinc/02/41/39/1118024139.db2.gz GOTMGNWSGWKMCN-XVWMLYKFSA-N 0 1 251.414 3.814 20 0 CHADMN CC/C=C\CCCCCCN1CCC(=O)[C@@H](C)C1 ZINC001209286445 1118024140 /nfs/dbraw/zinc/02/41/40/1118024140.db2.gz GOTMGNWSGWKMCN-XVWMLYKFSA-N 0 1 251.414 3.814 20 0 CHADMN CC(C)[C@H](C)Nc1ccccc1CN1CCSCC1 ZINC000183017096 1118034548 /nfs/dbraw/zinc/03/45/48/1118034548.db2.gz AZWUYRVOKNOPHT-AWEZNQCLSA-N 0 1 278.465 3.692 20 0 CHADMN CCC(CC)[C@H](C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000535634324 1118036727 /nfs/dbraw/zinc/03/67/27/1118036727.db2.gz RHFRCMIRCXTINR-JTQLQIEISA-N 0 1 273.380 3.882 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cccc3c2OCO3)cc1 ZINC000037770600 1118038045 /nfs/dbraw/zinc/03/80/45/1118038045.db2.gz CSFGRSCNXDXMTN-CYBMUJFWSA-N 0 1 269.344 3.575 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@H](c3cc(C)cc(C)c3)C2)n1 ZINC000183480869 1118044553 /nfs/dbraw/zinc/04/45/53/1118044553.db2.gz JJWIEOIITQDGAY-GJZGRUSLSA-N 0 1 299.418 3.799 20 0 CHADMN O[C@H](CN[C@@H](c1ccco1)c1ccccc1)C1CCCCC1 ZINC000183548398 1118045625 /nfs/dbraw/zinc/04/56/25/1118045625.db2.gz WBFUGSYPKQEPHQ-IEBWSBKVSA-N 0 1 299.414 3.900 20 0 CHADMN CC[C@H](C)CN(C)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000932495939 1118053001 /nfs/dbraw/zinc/05/30/01/1118053001.db2.gz IHTAMINNXAQVNS-VIFPVBQESA-N 0 1 295.333 3.619 20 0 CHADMN C[C@H](NCCOCC1CC1)c1nc(C(C)(C)C)cs1 ZINC000184459832 1118054755 /nfs/dbraw/zinc/05/47/55/1118054755.db2.gz KKTGILLRUGHELK-NSHDSACASA-N 0 1 282.453 3.518 20 0 CHADMN Fc1cc(Cl)cc(N[C@H]2CCCc3[nH]ncc32)c1 ZINC000367597424 1118056052 /nfs/dbraw/zinc/05/60/52/1118056052.db2.gz NJQDXMLHQHNSMC-LBPRGKRZSA-N 0 1 265.719 3.692 20 0 CHADMN CC(C)c1cccc(CN[C@@H](CO)c2ccsc2)c1 ZINC000660303264 1118057180 /nfs/dbraw/zinc/05/71/80/1118057180.db2.gz PGHYBUFQOMIVDM-INIZCTEOSA-N 0 1 275.417 3.695 20 0 CHADMN c1cncc(CN(C[C@@H]2CCC3(CCCC3)O2)C2CC2)c1 ZINC000579618466 1128753044 /nfs/dbraw/zinc/75/30/44/1128753044.db2.gz VRPLLMWOGUNFMW-KRWDZBQOSA-N 0 1 286.419 3.538 20 0 CHADMN COCCCCCN[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000185227205 1118060345 /nfs/dbraw/zinc/06/03/45/1118060345.db2.gz DOYAONJSJCVQAW-ZDUSSCGKSA-N 0 1 295.427 3.585 20 0 CHADMN CCN(Cc1ccncc1)Cc1cc(C)c(F)c(C)c1 ZINC001143377519 1118060916 /nfs/dbraw/zinc/06/09/16/1118060916.db2.gz YBEGPJYMIGAFER-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN CC(C)CCOC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000193106428 1118064700 /nfs/dbraw/zinc/06/47/00/1118064700.db2.gz MBOMVRVUGFQICN-UHFFFAOYSA-N 0 1 297.389 3.992 20 0 CHADMN Cc1cc([C@H](NCc2ccoc2)C2CC2)ccc1F ZINC000340109483 1118067965 /nfs/dbraw/zinc/06/79/65/1118067965.db2.gz PYBIMQGWFOMQCT-MRXNPFEDSA-N 0 1 259.324 3.968 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C=Cc3ccsc3)ccc12 ZINC000091834340 1118068229 /nfs/dbraw/zinc/06/82/29/1118068229.db2.gz WWOQIVORATWYRN-GORDUTHDSA-N 0 1 283.356 3.585 20 0 CHADMN CCN(Cc1ccc(Cl)cc1)Cc1ccc(F)nc1 ZINC000779154404 1128754019 /nfs/dbraw/zinc/75/40/19/1128754019.db2.gz VCRXEWUTSAYEGT-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN COc1cccc([C@@H]2CN(CC3(C(C)C)CC3)CCO2)c1 ZINC001204449117 1118075833 /nfs/dbraw/zinc/07/58/33/1118075833.db2.gz JGIXTEQRSZEXPP-KRWDZBQOSA-N 0 1 289.419 3.505 20 0 CHADMN C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(Cl)c1[O-] ZINC000179682057 1128754010 /nfs/dbraw/zinc/75/40/10/1128754010.db2.gz CFZSXMIEVIPGBB-UHFFFAOYSA-N 0 1 286.762 3.549 20 0 CHADMN C[C@H]1CN(Cc2ccc(Cl)cc2)CCC1(F)F ZINC000579889119 1118076696 /nfs/dbraw/zinc/07/66/96/1118076696.db2.gz GEPFNRCRISMCTB-JTQLQIEISA-N 0 1 259.727 3.817 20 0 CHADMN Cc1oc(C[N@H+](C)Cc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000048880444 1118081678 /nfs/dbraw/zinc/08/16/78/1118081678.db2.gz WOHVTERNHCEBHG-UHFFFAOYSA-N 0 1 293.750 3.572 20 0 CHADMN CO[C@@H]1CCN(Cc2cc(F)cc(C)c2Cl)[C@@H](C)C1 ZINC001238784262 1118083540 /nfs/dbraw/zinc/08/35/40/1118083540.db2.gz NHRSONFAKLHQCW-SMDDNHRTSA-N 0 1 285.790 3.787 20 0 CHADMN COc1cc(F)c(CN2C[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001238789649 1118083859 /nfs/dbraw/zinc/08/38/59/1118083859.db2.gz ZTVYTTOXCXSBRJ-PHIMTYICSA-N 0 1 283.774 3.720 20 0 CHADMN CCCC[N@@H+](Cc1cccc(C(=O)[O-])c1Cl)C1CC1 ZINC000381532034 1118087418 /nfs/dbraw/zinc/08/74/18/1118087418.db2.gz PQWPSMAWFNJKHI-UHFFFAOYSA-N 0 1 281.783 3.803 20 0 CHADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000652367019 1118094521 /nfs/dbraw/zinc/09/45/21/1118094521.db2.gz DFZZSXFVLYSHIQ-PHIMTYICSA-N 0 1 281.783 3.516 20 0 CHADMN CN(c1ccc2nc[nH]c2c1)c1cc(Cl)ccc1N ZINC001209849026 1118098734 /nfs/dbraw/zinc/09/87/34/1118098734.db2.gz SWBAORSHYUZBHT-UHFFFAOYSA-N 0 1 272.739 3.566 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccco1 ZINC000764628315 1118102782 /nfs/dbraw/zinc/10/27/82/1118102782.db2.gz MDOYXRLPNIXCAL-NWDGAFQWSA-N 0 1 284.359 3.576 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N1CCCO[C@H](C)C1 ZINC000340181489 1118103242 /nfs/dbraw/zinc/10/32/42/1118103242.db2.gz SZKANLMAKYDOMC-NEPJUHHUSA-N 0 1 253.773 3.512 20 0 CHADMN Cc1cccc(CN2CC[C@H](C(=O)c3ccccc3)C2)c1F ZINC001137680113 1118107648 /nfs/dbraw/zinc/10/76/48/1118107648.db2.gz MPONSHDTRGTYFV-KRWDZBQOSA-N 0 1 297.373 3.839 20 0 CHADMN c1cc(Nc2coc3ccccc23)n(-c2ccncc2)n1 ZINC001203153645 1118109309 /nfs/dbraw/zinc/10/93/09/1118109309.db2.gz FFQHSHZKROURFY-UHFFFAOYSA-N 0 1 276.299 3.757 20 0 CHADMN CCc1ccc(-c2noc(CN(C)C(C)(C)CC)n2)cc1 ZINC000510248041 1118110578 /nfs/dbraw/zinc/11/05/78/1118110578.db2.gz BEJBXYOXLPSZSV-UHFFFAOYSA-N 0 1 287.407 3.919 20 0 CHADMN CSc1cc(-c2ccc3cncn3c2)ccc1F ZINC001238962387 1118120897 /nfs/dbraw/zinc/12/08/97/1118120897.db2.gz TZYYWWJMSSCFAM-UHFFFAOYSA-N 0 1 258.321 3.862 20 0 CHADMN Cc1ccc(OC(F)(F)F)cc1Nc1cnc(N)cc1C ZINC001209968970 1118122544 /nfs/dbraw/zinc/12/25/44/1118122544.db2.gz FCKAPLZJJDDARS-UHFFFAOYSA-N 0 1 297.280 3.923 20 0 CHADMN COc1ccc2c(c1)CN(Cc1ccccc1C)C2 ZINC000653834114 1118123004 /nfs/dbraw/zinc/12/30/04/1118123004.db2.gz GGTDKRYOQQKUCX-UHFFFAOYSA-N 0 1 253.345 3.519 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1ccc(F)cc1 ZINC000769862370 1118124739 /nfs/dbraw/zinc/12/47/39/1118124739.db2.gz YBYSYUNXLHBMOL-SNVBAGLBSA-N 0 1 262.328 3.535 20 0 CHADMN Cc1ccc(F)c([C@H](C)[C@@H](c2nc[nH]n2)c2cccnc2)c1 ZINC000340274411 1118129454 /nfs/dbraw/zinc/12/94/54/1118129454.db2.gz YIGAXFGUKDFSLB-BLLLJJGKSA-N 0 1 296.349 3.583 20 0 CHADMN COc1ccc(CNCc2cc(C)ccc2OC)c(C)c1 ZINC000765272335 1118142034 /nfs/dbraw/zinc/14/20/34/1118142034.db2.gz RMEHKXWPFLHGAA-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN CC1(C)CCN(Cc2ccc(O)c(C(F)(F)F)c2)C1 ZINC000211608155 1118152777 /nfs/dbraw/zinc/15/27/77/1118152777.db2.gz NLJPAKWJVXWHSJ-UHFFFAOYSA-N 0 1 273.298 3.643 20 0 CHADMN C[C@@H](N[C@@H](C)COc1ccccc1)c1cccnc1Cl ZINC000765442320 1118153306 /nfs/dbraw/zinc/15/33/06/1118153306.db2.gz ZJXKMIPDKQKOIC-QWHCGFSZSA-N 0 1 290.794 3.853 20 0 CHADMN C[C@H](COc1ccccc1)N[C@H](C)c1cccnc1Cl ZINC000765442318 1118153383 /nfs/dbraw/zinc/15/33/83/1118153383.db2.gz ZJXKMIPDKQKOIC-CHWSQXEVSA-N 0 1 290.794 3.853 20 0 CHADMN Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CCCC3(CCCCC3)C2)n1 ZINC000579916076 1118158590 /nfs/dbraw/zinc/15/85/90/1118158590.db2.gz LFIUJRKDRAHKEF-AWEZNQCLSA-N 0 1 289.423 3.598 20 0 CHADMN Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2CCCC3(CCCCC3)C2)n1 ZINC000579916076 1118158592 /nfs/dbraw/zinc/15/85/92/1118158592.db2.gz LFIUJRKDRAHKEF-AWEZNQCLSA-N 0 1 289.423 3.598 20 0 CHADMN Cc1cc(=O)[n-]c([C@H](C)[N@H+]2CCCC3(CCCCC3)C2)n1 ZINC000579916076 1118158593 /nfs/dbraw/zinc/15/85/93/1118158593.db2.gz LFIUJRKDRAHKEF-AWEZNQCLSA-N 0 1 289.423 3.598 20 0 CHADMN CCOc1ccc(C(=O)Nc2ccc3nc(C)[nH]c3c2)cc1 ZINC000010896068 1118159760 /nfs/dbraw/zinc/15/97/60/1118159760.db2.gz SNAZZRIIRCNCEW-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN Cc1ccc(CN[C@H](CO)c2ccccc2C)cc1Cl ZINC000683470511 1118164505 /nfs/dbraw/zinc/16/45/05/1118164505.db2.gz QDFDPDSZSWWYPU-QGZVFWFLSA-N 0 1 289.806 3.780 20 0 CHADMN Cc1ccc(SCCN[C@H](C)c2ccon2)cc1C ZINC000542654475 1118165111 /nfs/dbraw/zinc/16/51/11/1118165111.db2.gz HCGWGKPXMBPVOX-CYBMUJFWSA-N 0 1 276.405 3.734 20 0 CHADMN Cc1ccc([C@H](O)CNCc2c(F)cccc2Cl)cc1 ZINC000237789663 1128760029 /nfs/dbraw/zinc/76/00/29/1128760029.db2.gz OGZLHBHGENQJJL-MRXNPFEDSA-N 0 1 293.769 3.611 20 0 CHADMN Cc1ccc(CNCc2nccc3c2CCCC3)s1 ZINC000921544094 1118177814 /nfs/dbraw/zinc/17/78/14/1118177814.db2.gz PMOOPIAVBPKPCC-UHFFFAOYSA-N 0 1 272.417 3.620 20 0 CHADMN Cc1ccc(CNCc2cc(C)cnc2Cl)s1 ZINC000921544212 1118177828 /nfs/dbraw/zinc/17/78/28/1118177828.db2.gz QGPMHAGLYTXHKF-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN Cc1ccc(CN2CCC[C@H]3C[C@H]32)c(Br)c1 ZINC001137808561 1118181474 /nfs/dbraw/zinc/18/14/74/1118181474.db2.gz WAHDLKYUWYFYCX-SMDDNHRTSA-N 0 1 280.209 3.742 20 0 CHADMN C[C@@H]1C[C@H](NCC2(C(F)(F)F)CCCC2)c2nccn21 ZINC000624272813 1118184326 /nfs/dbraw/zinc/18/43/26/1118184326.db2.gz QLLYWWXSYBPVES-MNOVXSKESA-N 0 1 287.329 3.601 20 0 CHADMN CC(C)[C@@H](N[C@H]1CCCn2ccnc21)c1ccc(F)cc1 ZINC000655692054 1118185688 /nfs/dbraw/zinc/18/56/88/1118185688.db2.gz CVCTZFYSJBYAOJ-JKSUJKDBSA-N 0 1 287.382 3.844 20 0 CHADMN CC[C@H](N[C@H]1CCCn2ccnc21)c1ccc(C)cc1 ZINC000655694098 1118186855 /nfs/dbraw/zinc/18/68/55/1118186855.db2.gz ZLUCTDDNVRCMKQ-HOTGVXAUSA-N 0 1 269.392 3.767 20 0 CHADMN Cc1cc(CNCc2cc3ccccc3o2)cc(C)n1 ZINC001648811471 1118189144 /nfs/dbraw/zinc/18/91/44/1118189144.db2.gz PJTLZOJBQKSIAX-UHFFFAOYSA-N 0 1 266.344 3.734 20 0 CHADMN CO[C@@H](CNCc1cc(C)cnc1Cl)c1ccccc1 ZINC000921576972 1118202457 /nfs/dbraw/zinc/20/24/57/1118202457.db2.gz GGRIFFNFNXYBNP-HNNXBMFYSA-N 0 1 290.794 3.521 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)C[C@H](C)C(C)(C)C ZINC000399420376 1118202928 /nfs/dbraw/zinc/20/29/28/1118202928.db2.gz ZEINUKIPOCTTQL-JTQLQIEISA-N 0 1 283.437 3.869 20 0 CHADMN Cc1ncncc1[C@H](C)NC1(c2cccc(F)c2)CCC1 ZINC000655779619 1118207963 /nfs/dbraw/zinc/20/79/63/1118207963.db2.gz OYMLPZACTPRKFO-ZDUSSCGKSA-N 0 1 285.366 3.654 20 0 CHADMN CC1(C(=O)NCc2ccc3nc[nH]c3c2)CCCCCC1 ZINC000615792079 1128762931 /nfs/dbraw/zinc/76/29/31/1128762931.db2.gz LNJPQEWJUVGAQM-UHFFFAOYSA-N 0 1 285.391 3.540 20 0 CHADMN Cc1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)cc1 ZINC000028927516 1118213541 /nfs/dbraw/zinc/21/35/41/1118213541.db2.gz XRGIBYFEGXVDJI-UHFFFAOYSA-N 0 1 277.327 3.637 20 0 CHADMN CN(CCCOc1ccccc1)Cc1cccc(Cl)n1 ZINC000075598681 1128763321 /nfs/dbraw/zinc/76/33/21/1128763321.db2.gz CLQQHACOIPZSIP-UHFFFAOYSA-N 0 1 290.794 3.636 20 0 CHADMN CCCCCC(C)(C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000177339099 1118217115 /nfs/dbraw/zinc/21/71/15/1118217115.db2.gz UDHJOLLAEONDKM-UHFFFAOYSA-N 0 1 291.439 3.688 20 0 CHADMN CCCn1cc(CN[C@H](CC)c2ccccc2F)cn1 ZINC000655806247 1118217932 /nfs/dbraw/zinc/21/79/32/1118217932.db2.gz SLNVRSHRRVYPJR-MRXNPFEDSA-N 0 1 275.371 3.673 20 0 CHADMN COc1ccsc1[C@H](C)NCc1cccc(C)c1OC ZINC000655812480 1118219989 /nfs/dbraw/zinc/21/99/89/1118219989.db2.gz PSKLAFOQUVLLED-LBPRGKRZSA-N 0 1 291.416 3.925 20 0 CHADMN COc1c(C)cccc1CN[C@@H](C)c1cncc(C)c1 ZINC000655812642 1118220064 /nfs/dbraw/zinc/22/00/64/1118220064.db2.gz QIDLIJDKQZFQBX-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN COc1c(C)cccc1CN[C@H](C)c1cnn(C(C)C)c1 ZINC000655811764 1118220105 /nfs/dbraw/zinc/22/01/05/1118220105.db2.gz VXYIFUUWSUVXJO-CQSZACIVSA-N 0 1 287.407 3.632 20 0 CHADMN CCCCOc1ccccc1CNCc1ccc(C)nc1 ZINC001648821831 1118232081 /nfs/dbraw/zinc/23/20/81/1118232081.db2.gz BQBUYQHOLKJMKG-UHFFFAOYSA-N 0 1 284.403 3.859 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1nc(-c2ccsc2)no1 ZINC000185872991 1118232134 /nfs/dbraw/zinc/23/21/34/1118232134.db2.gz NSHGWQJMWFAZDK-CYBMUJFWSA-N 0 1 291.420 3.953 20 0 CHADMN CCCc1nc(CN2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000042651831 1118237636 /nfs/dbraw/zinc/23/76/36/1118237636.db2.gz FSQLUSCAFZLSIW-VXGBXAGGSA-N 0 1 252.427 3.574 20 0 CHADMN O=C(Nc1ccc(O)cc1Cl)c1ccc(Cl)cc1O ZINC000085204717 1118242331 /nfs/dbraw/zinc/24/23/31/1118242331.db2.gz BMMYTYXOOVNYKE-UHFFFAOYSA-N 0 1 298.125 3.657 20 0 CHADMN COCc1ccc(CN[C@H](C)c2cccc(F)c2F)cc1 ZINC000121874051 1118242429 /nfs/dbraw/zinc/24/24/29/1118242429.db2.gz BHDDOMWNNHHTTM-GFCCVEGCSA-N 0 1 291.341 3.962 20 0 CHADMN CCCN1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1C ZINC000110480239 1118243123 /nfs/dbraw/zinc/24/31/23/1118243123.db2.gz QCACYOQZDPLCIU-OAHLLOKOSA-N 0 1 294.826 3.851 20 0 CHADMN CC[C@@H](NCc1ncc(C(C)(C)C)s1)[C@H]1CCCCO1 ZINC000655855658 1118245460 /nfs/dbraw/zinc/24/54/60/1118245460.db2.gz GCFTUAWYIPITJZ-CHWSQXEVSA-N 0 1 296.480 3.878 20 0 CHADMN C=Cc1ccc(CNc2cnc(N(C)C)cc2C)cc1 ZINC001168575787 1118245915 /nfs/dbraw/zinc/24/59/15/1118245915.db2.gz PISCCVBPPLBSFY-UHFFFAOYSA-N 0 1 267.376 3.711 20 0 CHADMN CCC(CC)CN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000409445900 1118246597 /nfs/dbraw/zinc/24/65/97/1118246597.db2.gz QWMDBFXBMGIXEQ-MRXNPFEDSA-N 0 1 265.372 3.635 20 0 CHADMN CCc1noc(C)c1CN[C@H]1CCc2ccc(Cl)cc21 ZINC000340438538 1118246772 /nfs/dbraw/zinc/24/67/72/1118246772.db2.gz AIOIUGFNSKIUNU-INIZCTEOSA-N 0 1 290.794 3.976 20 0 CHADMN O=C([O-])[C@@H](CC[N@H+]1CCC[C@H]1c1ccco1)c1ccccc1 ZINC000579961896 1118247025 /nfs/dbraw/zinc/24/70/25/1118247025.db2.gz QTSAJKUQODZCTF-HOTGVXAUSA-N 0 1 299.370 3.675 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)c1Cl ZINC000655862324 1118248769 /nfs/dbraw/zinc/24/87/69/1118248769.db2.gz AVQUNYUZGFNUEO-ZDUSSCGKSA-N 0 1 295.810 3.627 20 0 CHADMN CCc1noc(C)c1CN[C@@H](C)c1cc2c(s1)CCC2 ZINC000340441122 1118250787 /nfs/dbraw/zinc/25/07/87/1118250787.db2.gz GXOCBACRZDPJIC-JTQLQIEISA-N 0 1 290.432 3.946 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1Cc1ncc(C(C)(C)C)o1 ZINC000409445185 1118253023 /nfs/dbraw/zinc/25/30/23/1118253023.db2.gz LXXWVIALCUPZCP-NEPJUHHUSA-N 0 1 250.386 3.593 20 0 CHADMN CCC[C@@H]1CCCC[C@H]1CNC(=O)[C@@H]1CCCCN1CC ZINC001648847334 1118253148 /nfs/dbraw/zinc/25/31/48/1118253148.db2.gz PEVWLDHYJRJQQB-IKGGRYGDSA-N 0 1 294.483 3.584 20 0 CHADMN CCCCN(C)Cc1coc(-c2cccc(F)c2)n1 ZINC000045735002 1118258322 /nfs/dbraw/zinc/25/83/22/1118258322.db2.gz AEZDBRXSHNRAGG-UHFFFAOYSA-N 0 1 262.328 3.713 20 0 CHADMN C[C@@H](F)CCN[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000340456969 1118261689 /nfs/dbraw/zinc/26/16/89/1118261689.db2.gz AROXFLXJHFDILI-WBMJQRKESA-N 0 1 276.330 3.648 20 0 CHADMN CCN(CC)C(=O)CN(C)[C@H](C)c1ccc2ccccc2c1 ZINC000056268206 1118270708 /nfs/dbraw/zinc/27/07/08/1118270708.db2.gz FZRLBVXTHOYYBV-OAHLLOKOSA-N 0 1 298.430 3.701 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)N1CCO[C@@H](C)C1 ZINC000056282214 1118271124 /nfs/dbraw/zinc/27/11/24/1118271124.db2.gz FKYLAKNVWWLAFN-KBPBESRZSA-N 0 1 255.361 3.622 20 0 CHADMN CC[C@@H](CN(C)[C@H](C)c1nc(C)no1)c1ccccc1 ZINC000579979365 1118272374 /nfs/dbraw/zinc/27/23/74/1118272374.db2.gz WWFFDICKSIHVSV-OCCSQVGLSA-N 0 1 273.380 3.565 20 0 CHADMN Cc1noc(C)c1[C@H](C)NC/C=C\c1ccc(F)c(F)c1 ZINC000671710113 1118281707 /nfs/dbraw/zinc/28/17/07/1118281707.db2.gz WSMOPYMSODPERD-LWTINBJPSA-N 0 1 292.329 3.934 20 0 CHADMN Cc1noc(C)c1[C@H](C)NC/C=C/c1ccc(F)c(F)c1 ZINC000671710116 1118282118 /nfs/dbraw/zinc/28/21/18/1118282118.db2.gz WSMOPYMSODPERD-YEZKRMTDSA-N 0 1 292.329 3.934 20 0 CHADMN Nc1cccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 ZINC000076045859 1118282677 /nfs/dbraw/zinc/28/26/77/1118282677.db2.gz DYVKNTAQLINUHX-UHFFFAOYSA-N 0 1 277.249 3.831 20 0 CHADMN CCCCN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000057832619 1118283907 /nfs/dbraw/zinc/28/39/07/1118283907.db2.gz RASJPTJBPIVVOS-UHFFFAOYSA-N 0 1 289.206 3.664 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2ccc(Cl)cc21)c1ccncn1 ZINC000624330018 1118285261 /nfs/dbraw/zinc/28/52/61/1118285261.db2.gz MKVNWSPIWHWRKZ-BDJLRTHQSA-N 0 1 287.794 3.858 20 0 CHADMN Cc1ccc(CN2CCC[C@H](n3ccnc3)C2)cc1Cl ZINC000683699249 1118292842 /nfs/dbraw/zinc/29/28/42/1118292842.db2.gz JNVUNKWPOOSTBL-HNNXBMFYSA-N 0 1 289.810 3.682 20 0 CHADMN c1ccc(CC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000060105407 1118296323 /nfs/dbraw/zinc/29/63/23/1118296323.db2.gz ANEUXKZKVJFTOX-LJQANCHMSA-N 0 1 281.399 3.520 20 0 CHADMN CCc1nc(S[C@@H](C)c2ccc(Cl)cc2)n[nH]1 ZINC000060428722 1118298156 /nfs/dbraw/zinc/29/81/56/1118298156.db2.gz UWZWFJZTKZQWIT-QMMMGPOBSA-N 0 1 267.785 3.874 20 0 CHADMN CCc1n[nH]c(S[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000060428722 1118298157 /nfs/dbraw/zinc/29/81/57/1118298157.db2.gz UWZWFJZTKZQWIT-QMMMGPOBSA-N 0 1 267.785 3.874 20 0 CHADMN Cc1cccc(CN(Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000060496040 1118300005 /nfs/dbraw/zinc/30/00/05/1118300005.db2.gz HVWOUWSLIYVUQP-SFHVURJKSA-N 0 1 285.387 3.769 20 0 CHADMN C[C@H](CCNc1cnn(-c2ccncc2)c1)c1ccccc1 ZINC000683708527 1118301636 /nfs/dbraw/zinc/30/16/36/1118301636.db2.gz TXQJSYSEZXAHHJ-OAHLLOKOSA-N 0 1 292.386 3.873 20 0 CHADMN Clc1ccc(CNCCOc2ccc(Cl)cc2)o1 ZINC000061016576 1118305105 /nfs/dbraw/zinc/30/51/05/1118305105.db2.gz GEIWXIANAYHLMN-UHFFFAOYSA-N 0 1 286.158 3.755 20 0 CHADMN CCC(CC)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000061234408 1118306062 /nfs/dbraw/zinc/30/60/62/1118306062.db2.gz IBQOFXOHWNURTF-INIZCTEOSA-N 0 1 299.418 3.971 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc([C@H](C)O)cc2)oc1C ZINC000282244716 1118306803 /nfs/dbraw/zinc/30/68/03/1118306803.db2.gz QDKQBDRTCSEMPN-STQMWFEESA-N 0 1 273.376 3.801 20 0 CHADMN CCN(Cc1ccccc1)Cc1cc(F)ccc1OC ZINC000061758311 1118308723 /nfs/dbraw/zinc/30/87/23/1118308723.db2.gz LRRJLVGICCAOFF-UHFFFAOYSA-N 0 1 273.351 3.856 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3c(F)cc(F)cc32)sn1 ZINC000639215829 1118308727 /nfs/dbraw/zinc/30/87/27/1118308727.db2.gz IPWQKUXGPVIULR-HNNXBMFYSA-N 0 1 294.370 3.897 20 0 CHADMN COc1ccc(C)cc1CN(C)Cc1cccs1 ZINC000061779307 1118310249 /nfs/dbraw/zinc/31/02/49/1118310249.db2.gz HPISTSRAFLUFGD-UHFFFAOYSA-N 0 1 261.390 3.697 20 0 CHADMN Cc1ccc(NC(=O)CN2CCC3(CCC3)CC2)c(C)c1 ZINC000671729754 1118316014 /nfs/dbraw/zinc/31/60/14/1118316014.db2.gz ZFJNONHKKGTVDZ-UHFFFAOYSA-N 0 1 286.419 3.508 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@@H]2N[C@@H]1CCC[C@H]1F ZINC000340524447 1118317063 /nfs/dbraw/zinc/31/70/63/1118317063.db2.gz SGUWQZGWCJXBAK-QLFBSQMISA-N 0 1 263.356 3.689 20 0 CHADMN c1ccc(-c2n[nH]c(S[C@H]3CCc4ccccc43)n2)nc1 ZINC000683738561 1118323606 /nfs/dbraw/zinc/32/36/06/1118323606.db2.gz BXAILOUFEKGRSF-AWEZNQCLSA-N 0 1 294.383 3.646 20 0 CHADMN Cc1scc(CNCc2ccc(F)cc2F)c1C ZINC000399819410 1118324305 /nfs/dbraw/zinc/32/43/05/1118324305.db2.gz CDKWRHSBYSRQGK-UHFFFAOYSA-N 0 1 267.344 3.933 20 0 CHADMN Fc1cccnc1CN1CCC[C@@H]1c1ccccc1 ZINC001207033544 1118329541 /nfs/dbraw/zinc/32/95/41/1118329541.db2.gz XOUJLNHVXHJQJR-MRXNPFEDSA-N 0 1 256.324 3.558 20 0 CHADMN Fc1cccnc1CN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001207033721 1118330698 /nfs/dbraw/zinc/33/06/98/1118330698.db2.gz GJWIVXMRGVWRJT-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1scc(CN[C@H](C)c2cncc(F)c2)c1C ZINC000399855184 1118333813 /nfs/dbraw/zinc/33/38/13/1118333813.db2.gz AIXLVVHSKOUYJU-SNVBAGLBSA-N 0 1 264.369 3.750 20 0 CHADMN CCCCCNC(=O)CN(CC)[C@H](C)c1ccc(F)cc1 ZINC000065433292 1118333907 /nfs/dbraw/zinc/33/39/07/1118333907.db2.gz RWXUWNPBWRIUAM-CQSZACIVSA-N 0 1 294.414 3.515 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2c2cccc(C)c2)oc1C ZINC000066423537 1118344424 /nfs/dbraw/zinc/34/44/24/1118344424.db2.gz FAUUREPXLSYXNC-MRXNPFEDSA-N 0 1 270.376 3.937 20 0 CHADMN c1ccc([C@@H](N[C@@H]2C=CCCC2)c2ccccn2)cc1 ZINC000066472991 1118345720 /nfs/dbraw/zinc/34/57/20/1118345720.db2.gz OIFWVMUJHJNXPG-SJLPKXTDSA-N 0 1 264.372 3.869 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1ccc3cnccc3c1)CO2 ZINC000683771089 1118352740 /nfs/dbraw/zinc/35/27/40/1118352740.db2.gz OMWLSGAWBQUCQG-GOSISDBHSA-N 0 1 290.366 3.767 20 0 CHADMN CCn1ccnc1CN[C@@H](c1ccccc1)C1CCCC1 ZINC000067696426 1118354447 /nfs/dbraw/zinc/35/44/47/1118354447.db2.gz IIOBLFAFXXCJDP-SFHVURJKSA-N 0 1 283.419 3.924 20 0 CHADMN Clc1ccccc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000580043818 1118356912 /nfs/dbraw/zinc/35/69/12/1118356912.db2.gz OMSNHQZIYTWSFW-AWEZNQCLSA-N 0 1 272.779 3.725 20 0 CHADMN Clc1ccccc1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000580043819 1118357138 /nfs/dbraw/zinc/35/71/38/1118357138.db2.gz OMSNHQZIYTWSFW-CQSZACIVSA-N 0 1 272.779 3.725 20 0 CHADMN Cc1nc([C@@H](C)SCc2ccccc2Cl)n[nH]1 ZINC000413003929 1118359439 /nfs/dbraw/zinc/35/94/39/1118359439.db2.gz JHJSJSJOZLFMSC-MRVPVSSYSA-N 0 1 267.785 3.761 20 0 CHADMN C[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1(C)C ZINC000568066342 1118363118 /nfs/dbraw/zinc/36/31/18/1118363118.db2.gz XQJBHITZEGROCE-RISCZKNCSA-N 0 1 295.810 3.834 20 0 CHADMN c1cc(Nc2cnc3sccc3c2)n(-c2ccncc2)n1 ZINC001210692591 1118367498 /nfs/dbraw/zinc/36/74/98/1118367498.db2.gz GIMYTNCIFRZOFE-UHFFFAOYSA-N 0 1 293.355 3.621 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000568073870 1118367857 /nfs/dbraw/zinc/36/78/57/1118367857.db2.gz PAHLEKAGFHXFGA-VYDXJSESSA-N 0 1 281.440 3.636 20 0 CHADMN Cc1ccoc1CN[C@H](C)c1cccc(-n2cccn2)c1 ZINC000072925078 1118376787 /nfs/dbraw/zinc/37/67/87/1118376787.db2.gz LIUSIBXUXQCHNC-CQSZACIVSA-N 0 1 281.359 3.625 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000111312657 1118389844 /nfs/dbraw/zinc/38/98/44/1118389844.db2.gz BSSSRPWWIYWNDP-LBPRGKRZSA-N 0 1 289.400 3.588 20 0 CHADMN CC=C(C)Nc1c(F)cccc1OC[C@H]1CCCO1 ZINC001210797156 1118391900 /nfs/dbraw/zinc/39/19/00/1118391900.db2.gz CMJACROHURPNOR-NDZKXSSTSA-N 0 1 265.328 3.719 20 0 CHADMN CCCC(=O)Nc1cccc(CN[C@@H](C)c2cccnc2)c1 ZINC000112529297 1118393806 /nfs/dbraw/zinc/39/38/06/1118393806.db2.gz IIOKJMXJXBHLKW-AWEZNQCLSA-N 0 1 297.402 3.671 20 0 CHADMN Oc1ccc(F)c(Nc2ccncc2Oc2ccccc2)c1 ZINC001210798375 1118393990 /nfs/dbraw/zinc/39/39/90/1118393990.db2.gz DZYMNHVTTMKFDS-UHFFFAOYSA-N 0 1 296.301 3.884 20 0 CHADMN CCN(Cc1ccc2cnccc2c1)Cc1ccccn1 ZINC000683830518 1118396303 /nfs/dbraw/zinc/39/63/03/1118396303.db2.gz PVIGSCXUQBBTKE-UHFFFAOYSA-N 0 1 277.371 3.652 20 0 CHADMN Cc1ccc(N(C)C(=O)c2ccc(Cl)cc2O)cc1 ZINC000050009638 1118397480 /nfs/dbraw/zinc/39/74/80/1118397480.db2.gz KHHIKKZLNMGDOL-UHFFFAOYSA-N 0 1 275.735 3.631 20 0 CHADMN CN(CCOC(C)(C)C)Cc1cnc(-c2ccco2)s1 ZINC000683832503 1118399177 /nfs/dbraw/zinc/39/91/77/1118399177.db2.gz HJSLONSSWRSHFQ-UHFFFAOYSA-N 0 1 294.420 3.650 20 0 CHADMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2sccc2Cl)C[C@H]1O ZINC000683835103 1118401657 /nfs/dbraw/zinc/40/16/57/1118401657.db2.gz OJYCQJHYXDQWET-ZYHUDNBSSA-N 0 1 287.856 3.630 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2sccc2Cl)C[C@H]1O ZINC000683835103 1118401661 /nfs/dbraw/zinc/40/16/61/1118401661.db2.gz OJYCQJHYXDQWET-ZYHUDNBSSA-N 0 1 287.856 3.630 20 0 CHADMN c1coc(C2=CCCN(Cc3cnc(C4CC4)s3)C2)c1 ZINC000580245535 1118406667 /nfs/dbraw/zinc/40/66/67/1118406667.db2.gz SVFQWXYLGMABPJ-UHFFFAOYSA-N 0 1 286.400 3.903 20 0 CHADMN COCc1csc(CNCc2c(C)cccc2OC)c1 ZINC000639317555 1118415029 /nfs/dbraw/zinc/41/50/29/1118415029.db2.gz UGCHISQYTSAZJS-UHFFFAOYSA-N 0 1 291.416 3.501 20 0 CHADMN CC1(C)C[C@@]1(NCc1ccns1)c1ccccc1 ZINC000639338827 1118435946 /nfs/dbraw/zinc/43/59/46/1118435946.db2.gz XDAMKRRCMOFTFJ-OAHLLOKOSA-N 0 1 258.390 3.558 20 0 CHADMN Cc1noc(C)c1[C@H](C)Nc1ccc(CN(C)C)c(F)c1 ZINC000926100029 1118438658 /nfs/dbraw/zinc/43/86/58/1118438658.db2.gz FTHYHPDEGCZBBE-JTQLQIEISA-N 0 1 291.370 3.665 20 0 CHADMN COCC[C@H](NCc1ccc(CF)cc1)c1ccco1 ZINC000754459965 1118447266 /nfs/dbraw/zinc/44/72/66/1118447266.db2.gz BIBXADVQGGWWPM-HNNXBMFYSA-N 0 1 277.339 3.617 20 0 CHADMN c1cc2c(c(CNCc3ccc(C4CCC4)cc3)c1)OCO2 ZINC000557035744 1118456398 /nfs/dbraw/zinc/45/63/98/1118456398.db2.gz LYAGGCWFRJOTLM-UHFFFAOYSA-N 0 1 295.382 3.973 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394577361 1118460490 /nfs/dbraw/zinc/46/04/90/1118460490.db2.gz QIVFQAWAWUPMQI-INIZCTEOSA-N 0 1 281.440 3.924 20 0 CHADMN Cc1cnc([C@@H](C)NCCOC2CCCCCC2)s1 ZINC000348494287 1118464143 /nfs/dbraw/zinc/46/41/43/1118464143.db2.gz NXQOQBFUAMMYJP-CYBMUJFWSA-N 0 1 282.453 3.842 20 0 CHADMN CC[N@@H+](Cc1ccc([O-])c(F)c1F)[C@H](C)C(C)C ZINC001658364443 1118468221 /nfs/dbraw/zinc/46/82/21/1118468221.db2.gz VEVKKDMSEPEXNP-SNVBAGLBSA-N 0 1 257.324 3.537 20 0 CHADMN C[C@@H]1CCC(C)(C)N1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000616178083 1128779470 /nfs/dbraw/zinc/77/94/70/1128779470.db2.gz SYYJFUWJBWVGFX-SNVBAGLBSA-N 0 1 289.404 3.541 20 0 CHADMN Cc1ccc([C@@H]2COCCN2CC23CCC(CC2)C3)o1 ZINC001167413550 1118469032 /nfs/dbraw/zinc/46/90/32/1118469032.db2.gz WQBDTPJOMYFVKE-CKDBGZEDSA-N 0 1 275.392 3.542 20 0 CHADMN CC(C)c1ccc(CN2CC3(CC3(F)F)C2)cc1 ZINC000656265627 1118486903 /nfs/dbraw/zinc/48/69/03/1118486903.db2.gz FLWXIGKCCKOGLZ-UHFFFAOYSA-N 0 1 251.320 3.651 20 0 CHADMN Cn1cncc1Nc1ccc(OC(F)(F)F)cc1C1CC1 ZINC001211254355 1118488939 /nfs/dbraw/zinc/48/89/39/1118488939.db2.gz SVMXOXDCTMEUOW-UHFFFAOYSA-N 0 1 297.280 3.940 20 0 CHADMN c1c2ccccc2[nH]c1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000684020050 1118488985 /nfs/dbraw/zinc/48/89/85/1118488985.db2.gz FYFHSBLTMTWOKC-GUYCJALGSA-N 0 1 254.377 3.932 20 0 CHADMN Cn1cncc1Nc1cccc(Br)c1Cl ZINC001211252898 1118489166 /nfs/dbraw/zinc/48/91/66/1118489166.db2.gz ZWXWBVACYZFGKH-UHFFFAOYSA-N 0 1 286.560 3.580 20 0 CHADMN COc1cnccc1Nc1ccc(F)c(Cl)c1Cl ZINC001211265638 1118493313 /nfs/dbraw/zinc/49/33/13/1118493313.db2.gz RPYWYYITRSADHI-UHFFFAOYSA-N 0 1 287.121 3.702 20 0 CHADMN CCC[C@H](C)N(C)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000048070736 1118507935 /nfs/dbraw/zinc/50/79/35/1118507935.db2.gz JGERYBMWGBKYSA-ZDUSSCGKSA-N 0 1 288.391 3.971 20 0 CHADMN C[C@H](N[C@@H]1CCCc2ccc(Cl)cc21)c1ccncn1 ZINC000624330019 1118508735 /nfs/dbraw/zinc/50/87/35/1118508735.db2.gz MKVNWSPIWHWRKZ-MEDUHNTESA-N 0 1 287.794 3.858 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3ccc(Br)cc3)C[C@@H]21 ZINC000380298075 1118518879 /nfs/dbraw/zinc/51/88/79/1118518879.db2.gz IZDINKDEUVOENJ-BETUJISGSA-N 0 1 280.209 3.537 20 0 CHADMN CC(C)N(Cc1ccccc1)Cc1c(N)cccc1F ZINC000109427081 1118522650 /nfs/dbraw/zinc/52/26/50/1118522650.db2.gz GVWAUSPSTGVTML-UHFFFAOYSA-N 0 1 272.367 3.819 20 0 CHADMN Cc1ncc(Cl)cc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215554206 1118526349 /nfs/dbraw/zinc/52/63/49/1118526349.db2.gz ZBORBIPDKQBEHP-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1cc(F)cc(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215555187 1118526965 /nfs/dbraw/zinc/52/69/65/1118526965.db2.gz DUSCDWSCFACGHG-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN CCCN[C@H](C)c1nc(-c2cc3ccccc3o2)no1 ZINC000109513756 1118528911 /nfs/dbraw/zinc/52/89/11/1118528911.db2.gz XCNVIEQSVASGKA-SNVBAGLBSA-N 0 1 271.320 3.543 20 0 CHADMN CCCN[C@H](C)c1nc([C@@H]2CCCc3ccccc32)no1 ZINC000109514989 1118529045 /nfs/dbraw/zinc/52/90/45/1118529045.db2.gz GJVHWRUPLFVDAD-IUODEOHRSA-N 0 1 285.391 3.598 20 0 CHADMN CC[C@@](C)(O)CNCc1c(Cl)ccc(Cl)c1Cl ZINC000096478418 1118530178 /nfs/dbraw/zinc/53/01/78/1118530178.db2.gz TUICQCHKKKVZAC-GFCCVEGCSA-N 0 1 296.625 3.897 20 0 CHADMN COc1cc(F)c(F)cc1CN1CCC[C@@H](C)CC1 ZINC001143387352 1118535099 /nfs/dbraw/zinc/53/50/99/1118535099.db2.gz FRAXGTFVLDUWMG-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN CC(C)CCN(C)Cc1ncc(C(C)(C)C)s1 ZINC000684142727 1118539264 /nfs/dbraw/zinc/53/92/64/1118539264.db2.gz WYHVWIHGFLJXMF-UHFFFAOYSA-N 0 1 254.443 3.919 20 0 CHADMN COc1ccc(CNc2nc3cc(C)ccc3[nH]2)cc1OC ZINC000096638750 1118547222 /nfs/dbraw/zinc/54/72/22/1118547222.db2.gz ZMVIEPBIKTWBBF-UHFFFAOYSA-N 0 1 297.358 3.501 20 0 CHADMN C[N@@H+](Cc1cn(C2CCCCC2)nn1)C1CCCCC1 ZINC000656438659 1118550594 /nfs/dbraw/zinc/55/05/94/1118550594.db2.gz AHHHGZQHSRDIKC-UHFFFAOYSA-N 0 1 276.428 3.548 20 0 CHADMN CN(Cc1cn(C2CCCCC2)nn1)C1CCCCC1 ZINC000656438659 1118550597 /nfs/dbraw/zinc/55/05/97/1118550597.db2.gz AHHHGZQHSRDIKC-UHFFFAOYSA-N 0 1 276.428 3.548 20 0 CHADMN Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000656450323 1118553120 /nfs/dbraw/zinc/55/31/20/1118553120.db2.gz CXCQKZLHNHVUCW-LJQANCHMSA-N 0 1 295.430 3.943 20 0 CHADMN CCCN1CCCC[C@H]1C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000127761565 1118554355 /nfs/dbraw/zinc/55/43/55/1118554355.db2.gz RHHIYBJZSSASLP-KRWDZBQOSA-N 0 1 299.418 3.679 20 0 CHADMN CC(C)=CCCN[C@H](C)c1nc(Br)cs1 ZINC000834784168 1118562145 /nfs/dbraw/zinc/56/21/45/1118562145.db2.gz UKNAAFMTAPINBX-SECBINFHSA-N 0 1 289.242 3.913 20 0 CHADMN CC[C@@H](O)CCCNCc1c(Cl)cccc1Cl ZINC000398471240 1118562163 /nfs/dbraw/zinc/56/21/63/1118562163.db2.gz PWGAYUPDMCFVFZ-SNVBAGLBSA-N 0 1 276.207 3.634 20 0 CHADMN C[C@@H](c1ccc2c(c1)CCC2)N1CC2(C1)CC(F)(F)C2 ZINC000656482788 1118562963 /nfs/dbraw/zinc/56/29/63/1118562963.db2.gz HBQONDSQQXOGJN-LBPRGKRZSA-N 0 1 277.358 3.967 20 0 CHADMN c1cc(-c2ccccc2)c(-c2nc([C@@H]3CCCN3)no2)s1 ZINC000647156027 1118570566 /nfs/dbraw/zinc/57/05/66/1118570566.db2.gz OGFNWIYKFRWOHA-ZDUSSCGKSA-N 0 1 297.383 3.890 20 0 CHADMN COc1cc(CN(C)Cc2cccc(F)c2)ccc1F ZINC001204556956 1118575222 /nfs/dbraw/zinc/57/52/22/1118575222.db2.gz OSNMCHJYZUOZHO-UHFFFAOYSA-N 0 1 277.314 3.605 20 0 CHADMN Cc1ccc(CN(C)CC2CC2)c(Br)c1 ZINC000510419813 1118583542 /nfs/dbraw/zinc/58/35/42/1118583542.db2.gz APPFGHBJCUDXBH-UHFFFAOYSA-N 0 1 268.198 3.599 20 0 CHADMN C/C=C\c1ccc(NS(=O)(=O)c2cc(C)oc2C)cc1 ZINC000341035907 1118592154 /nfs/dbraw/zinc/59/21/54/1118592154.db2.gz FOZKEYBTONKFIT-PLNGDYQASA-N 0 1 291.372 3.730 20 0 CHADMN CCOc1ccccc1CN1CCc2ccsc2C1 ZINC000341042445 1118592897 /nfs/dbraw/zinc/59/28/97/1118592897.db2.gz HXYRPGAGZNHXHK-UHFFFAOYSA-N 0 1 273.401 3.705 20 0 CHADMN CC1=CC[C@](C)(c2nc([C@H](N)CC(C)C)no2)CC1 ZINC000656560738 1118595144 /nfs/dbraw/zinc/59/51/44/1118595144.db2.gz HEFPMUCXSBHZEE-DOMZBBRYSA-N 0 1 263.385 3.503 20 0 CHADMN CCc1nn(C)c(CC)c1CNCc1ccc(Cl)s1 ZINC000169285168 1118597247 /nfs/dbraw/zinc/59/72/47/1118597247.db2.gz ABLGKZPVPFAYFW-UHFFFAOYSA-N 0 1 297.855 3.550 20 0 CHADMN CCc1ccc([C@H](NCc2ncc(C)n2C)C(C)C)cc1 ZINC000341079073 1118599732 /nfs/dbraw/zinc/59/97/32/1118599732.db2.gz OAFOGGTVKPUEMZ-GOSISDBHSA-N 0 1 285.435 3.778 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc(O)cc2)cc1F ZINC000349423358 1118602804 /nfs/dbraw/zinc/60/28/04/1118602804.db2.gz WZNLKAQPQMAUAL-UHFFFAOYSA-N 0 1 289.350 3.562 20 0 CHADMN C[C@@H](c1nc(-c2ccccc2)no1)N1CCCCCC1 ZINC000072861812 1118608352 /nfs/dbraw/zinc/60/83/52/1118608352.db2.gz MBDYFISWXACSNL-ZDUSSCGKSA-N 0 1 271.364 3.674 20 0 CHADMN CC[C@@H]1CCCN1Cc1csc(-c2ccco2)n1 ZINC000341170413 1118610222 /nfs/dbraw/zinc/61/02/22/1118610222.db2.gz PTEUXPHBRFQACE-GFCCVEGCSA-N 0 1 262.378 3.778 20 0 CHADMN Cn1ncc(C2CCC2)c1CN[C@@H]1CCc2c1cccc2F ZINC000656687554 1118636509 /nfs/dbraw/zinc/63/65/09/1118636509.db2.gz CTFCBISEBRSLIP-QGZVFWFLSA-N 0 1 299.393 3.604 20 0 CHADMN FC1CC2(C1)CN(Cc1cccc(OC3CCCC3)c1)C2 ZINC000656693986 1118638496 /nfs/dbraw/zinc/63/84/96/1118638496.db2.gz INTIUXGPDXHKPG-UHFFFAOYSA-N 0 1 289.394 3.942 20 0 CHADMN CCOc1ccc(C)c(F)c1-c1cccc2cncn21 ZINC001236541188 1128791005 /nfs/dbraw/zinc/79/10/05/1128791005.db2.gz XQCVITSDXGCQBA-UHFFFAOYSA-N 0 1 270.307 3.848 20 0 CHADMN Cc1cc([C@H](C)[N@H+]2CCc3ccc(C)cc3C2)oc1C(=O)[O-] ZINC000656759071 1118650038 /nfs/dbraw/zinc/65/00/38/1118650038.db2.gz VWWMZKJIPDQAGE-ZDUSSCGKSA-N 0 1 299.370 3.714 20 0 CHADMN C[C@@H](C[N@@H+](CCCC1CCC1)Cc1ccccc1)C(=O)[O-] ZINC000656757011 1118650548 /nfs/dbraw/zinc/65/05/48/1118650548.db2.gz QLJYIFFXXPQTHW-HNNXBMFYSA-N 0 1 289.419 3.790 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CCCC2)[C@H]2CCCC[C@@H]12 ZINC000656762654 1118651787 /nfs/dbraw/zinc/65/17/87/1118651787.db2.gz BJUJAWGZWACFNB-XHSDSOJGSA-N 0 1 279.424 3.532 20 0 CHADMN CCC1(CC)CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000656763627 1118651940 /nfs/dbraw/zinc/65/19/40/1118651940.db2.gz POPYDTWECVCPJK-OAHLLOKOSA-N 0 1 293.382 3.854 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](CCC)Cc1ccccc1F ZINC000656765411 1118652389 /nfs/dbraw/zinc/65/23/89/1118652389.db2.gz LIXPEVSQNSLHCA-OAHLLOKOSA-N 0 1 281.371 3.681 20 0 CHADMN CCc1nc(CNc2nccc(C)c2C2CC2)cs1 ZINC000656780039 1118654704 /nfs/dbraw/zinc/65/47/04/1118654704.db2.gz ZMGVPYYYKYTAGE-UHFFFAOYSA-N 0 1 273.405 3.898 20 0 CHADMN Cc1ccnc(NCc2ccc3c(c2)ncn3C)c1C1CC1 ZINC000656779045 1118655723 /nfs/dbraw/zinc/65/57/23/1118655723.db2.gz GFYSXSKDDMNTAT-UHFFFAOYSA-N 0 1 292.386 3.766 20 0 CHADMN Cc1ccnc(NCc2ncc(Cl)s2)c1C1CC1 ZINC000656779129 1118656179 /nfs/dbraw/zinc/65/61/79/1118656179.db2.gz HOZLIVSDOFTGIZ-UHFFFAOYSA-N 0 1 279.796 3.989 20 0 CHADMN CCOc1c(Cl)cccc1CNCc1cccc(N)c1 ZINC000656784262 1118656914 /nfs/dbraw/zinc/65/69/14/1118656914.db2.gz CMSSMPIZNBFQHV-UHFFFAOYSA-N 0 1 290.794 3.611 20 0 CHADMN CC(C)[C@H](NCc1ccc(F)c(F)c1)c1ccccn1 ZINC000076903018 1128792170 /nfs/dbraw/zinc/79/21/70/1128792170.db2.gz NFAZYLNYNSDIPE-INIZCTEOSA-N 0 1 276.330 3.847 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1cccc2c1OCCO2 ZINC000036168080 1118660581 /nfs/dbraw/zinc/66/05/81/1118660581.db2.gz OUTGZGDIDQHSLK-CQSZACIVSA-N 0 1 283.371 3.617 20 0 CHADMN CCC[C@@H](N[C@H](CC)C1CCCCC1)C(=O)OCC ZINC000097988399 1118666173 /nfs/dbraw/zinc/66/61/73/1118666173.db2.gz FWKDDXLRQTVPJZ-HUUCEWRRSA-N 0 1 269.429 3.667 20 0 CHADMN CCN1C[C@H](C)N(C(=O)C[C@@H](C)C2CCCCC2)C[C@H]1C ZINC001266797218 1118668850 /nfs/dbraw/zinc/66/88/50/1118668850.db2.gz ISJWJPJZKCGEFT-OAGGEKHMSA-N 0 1 294.483 3.534 20 0 CHADMN Cc1ccccc1NC(=O)CN1CCC2(C1)CCCCC2 ZINC000129972480 1118676596 /nfs/dbraw/zinc/67/65/96/1118676596.db2.gz LVKQWZQJFGQBGB-UHFFFAOYSA-N 0 1 286.419 3.590 20 0 CHADMN CC(C)(C)c1nc(CNC2CC(C)(C)C2)cs1 ZINC000395162494 1118684061 /nfs/dbraw/zinc/68/40/61/1118684061.db2.gz AFDOQQQPFZRBBO-UHFFFAOYSA-N 0 1 252.427 3.719 20 0 CHADMN CC(C)C1CN(Cc2cnc(C3CCCC3)s2)C1 ZINC000684407825 1118684837 /nfs/dbraw/zinc/68/48/37/1118684837.db2.gz IWXDQUYSEFBZNK-UHFFFAOYSA-N 0 1 264.438 3.889 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)NC(C)(C)C(F)F ZINC000684414144 1118688522 /nfs/dbraw/zinc/68/85/22/1118688522.db2.gz TYZMFIDFNQPXOE-CYBMUJFWSA-N 0 1 255.352 3.949 20 0 CHADMN Cc1ccccc1CN(C)Cc1cnn(C2CCC2)c1 ZINC000891473361 1118691649 /nfs/dbraw/zinc/69/16/49/1118691649.db2.gz ZJXTVWJULUGJBF-UHFFFAOYSA-N 0 1 269.392 3.549 20 0 CHADMN COc1ccsc1[C@H](C)N[C@H](C)c1ccnc(OC)c1 ZINC000348687409 1118698333 /nfs/dbraw/zinc/69/83/33/1118698333.db2.gz UPZPQLMBIAHYNW-MNOVXSKESA-N 0 1 292.404 3.572 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccncc2Cl)cc1C ZINC000933485744 1118705317 /nfs/dbraw/zinc/70/53/17/1118705317.db2.gz LPDHMSJULVPKPL-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CCn1cc(CN2CCC[C@@H]2c2ccc(F)cc2)c(C)n1 ZINC000891550948 1118707883 /nfs/dbraw/zinc/70/78/83/1118707883.db2.gz TZCUTEGYYIIZIU-QGZVFWFLSA-N 0 1 287.382 3.688 20 0 CHADMN Cc1ccc(Br)cc1CN1C2CCC1CC2 ZINC000398958351 1118710342 /nfs/dbraw/zinc/71/03/42/1118710342.db2.gz XGYBWWKNXXVESH-UHFFFAOYSA-N 0 1 280.209 3.884 20 0 CHADMN Nc1[nH]c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2[nH+]1 ZINC000204172296 1128795628 /nfs/dbraw/zinc/79/56/28/1128795628.db2.gz FFPUJKLFLUUDOZ-UHFFFAOYSA-N 0 1 293.248 3.711 20 0 CHADMN CCc1ccccc1NC(=O)c1cc2[nH]cnc2cc1F ZINC000341467266 1118715151 /nfs/dbraw/zinc/71/51/51/1118715151.db2.gz YGSOFRQWHKYHNU-UHFFFAOYSA-N 0 1 283.306 3.517 20 0 CHADMN C[C@H](N[C@H](CO)c1ccsc1)c1coc2ccccc21 ZINC000926198902 1118719320 /nfs/dbraw/zinc/71/93/20/1118719320.db2.gz MPTMBFHMURAJIZ-XHDPSFHLSA-N 0 1 287.384 3.879 20 0 CHADMN C/C=C\CN[C@@H](C)c1sccc1Br ZINC000384828381 1118723860 /nfs/dbraw/zinc/72/38/60/1118723860.db2.gz GLNHTTCAZKJDNN-VEMNSZJBSA-N 0 1 260.200 3.737 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccc3ncccc3c1)CO2 ZINC000341537526 1118726912 /nfs/dbraw/zinc/72/69/12/1118726912.db2.gz RADBLALXNIDKNY-KRWDZBQOSA-N 0 1 294.329 3.597 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](CO)CC1 ZINC000293290392 1118731367 /nfs/dbraw/zinc/73/13/67/1118731367.db2.gz VYTOLNAOOPKZIN-NEPJUHHUSA-N 0 1 285.790 3.635 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@H](CO)CC1 ZINC000293290392 1118731370 /nfs/dbraw/zinc/73/13/70/1118731370.db2.gz VYTOLNAOOPKZIN-NEPJUHHUSA-N 0 1 285.790 3.635 20 0 CHADMN COc1ccc(F)c(F)c1CN(C(C)C)C(C)C ZINC001143403332 1118735093 /nfs/dbraw/zinc/73/50/93/1118735093.db2.gz BRWKAELIPOBJDL-UHFFFAOYSA-N 0 1 257.324 3.592 20 0 CHADMN Cn1c2ccccc2nc1[C@@H]1CCCN1[C@H]1C=CCCC1 ZINC000084116715 1118736541 /nfs/dbraw/zinc/73/65/41/1118736541.db2.gz AYUQJPZODJSDMB-YOEHRIQHSA-N 0 1 281.403 3.819 20 0 CHADMN Cc1ccc(CNCc2ccc(Cl)cc2C)nc1 ZINC000400875456 1118737428 /nfs/dbraw/zinc/73/74/28/1118737428.db2.gz AYQYNSSZTMVMPP-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1cccc3cc[nH]c31)CO2 ZINC000341550913 1118738065 /nfs/dbraw/zinc/73/80/65/1118738065.db2.gz YLWVNNZKGYVCCR-HNNXBMFYSA-N 0 1 282.318 3.530 20 0 CHADMN CCc1nc(CSCc2ccccc2C2CC2)n[nH]1 ZINC000341565690 1118742960 /nfs/dbraw/zinc/74/29/60/1118742960.db2.gz WZFLZEXAEJSPPI-UHFFFAOYSA-N 0 1 273.405 3.678 20 0 CHADMN Cc1c(Br)cccc1CN(C)Cc1ccoc1 ZINC000341616809 1118759183 /nfs/dbraw/zinc/75/91/83/1118759183.db2.gz OLFHHQLCBKNSKN-UHFFFAOYSA-N 0 1 294.192 3.983 20 0 CHADMN CC1=C[C@H](C)C[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000430869882 1118780200 /nfs/dbraw/zinc/78/02/00/1118780200.db2.gz YZOPDVPEHRLDEY-JTQLQIEISA-N 0 1 285.309 3.825 20 0 CHADMN CC1=C[C@H](C)CN(Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000430869882 1118780205 /nfs/dbraw/zinc/78/02/05/1118780205.db2.gz YZOPDVPEHRLDEY-JTQLQIEISA-N 0 1 285.309 3.825 20 0 CHADMN CCn1ccnc1[C@H]1CCCC[N@H+]1C[C@@H]1CC=CCC1 ZINC000430870609 1118781152 /nfs/dbraw/zinc/78/11/52/1118781152.db2.gz VFWIZTWZDIQDBY-HZPDHXFCSA-N 0 1 273.424 3.786 20 0 CHADMN COCc1ccc([C@H]2CCCN2C/C=C\c2ccncc2)o1 ZINC000426144954 1118787574 /nfs/dbraw/zinc/78/75/74/1118787574.db2.gz XEXOKKVBYSYWRF-POKLJVKSSA-N 0 1 298.386 3.671 20 0 CHADMN CC[C@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(F)F ZINC000449363485 1118796398 /nfs/dbraw/zinc/79/63/98/1118796398.db2.gz PLLSWVCWBISGPK-HLTSFMKQSA-N 0 1 259.262 3.741 20 0 CHADMN CC[C@@H](N[C@@H](C)CCc1ccc(OC)cc1)C(F)F ZINC000449364745 1118797230 /nfs/dbraw/zinc/79/72/30/1118797230.db2.gz SWICIQFNSCFXOS-SMDDNHRTSA-N 0 1 271.351 3.650 20 0 CHADMN Cc1ccccc1SCc1n[nH]c(C(C)(C)C)n1 ZINC000430980214 1118803269 /nfs/dbraw/zinc/80/32/69/1118803269.db2.gz DGANATVNKATRBN-UHFFFAOYSA-N 0 1 261.394 3.703 20 0 CHADMN CCc1nc(C)c(CNCc2csc(C)c2C)o1 ZINC000631143602 1118810838 /nfs/dbraw/zinc/81/08/38/1118810838.db2.gz UPVRYQAYFAXXKC-UHFFFAOYSA-N 0 1 264.394 3.514 20 0 CHADMN CC(C)(C)c1nc(CN[C@@H]2CCOC23CCCCC3)co1 ZINC000933874107 1118827300 /nfs/dbraw/zinc/82/73/00/1118827300.db2.gz FMKOZHMUWIFPBI-CQSZACIVSA-N 0 1 292.423 3.554 20 0 CHADMN Cc1cccc2nc(CNC(=O)C3(C)CCCCCC3)[nH]c21 ZINC000510863069 1118834084 /nfs/dbraw/zinc/83/40/84/1118834084.db2.gz OXCBVFGHZKISSD-UHFFFAOYSA-N 0 1 299.418 3.848 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H](C)Cc3ccccc3)ccc12 ZINC000091825852 1118834168 /nfs/dbraw/zinc/83/41/68/1118834168.db2.gz PTMPCQUEIYQNTK-LBPRGKRZSA-N 0 1 293.370 3.689 20 0 CHADMN CN(CCCOc1ccc(Cl)cc1)Cc1cncs1 ZINC000092167695 1118837043 /nfs/dbraw/zinc/83/70/43/1118837043.db2.gz RSHAWHNIAGMMQX-UHFFFAOYSA-N 0 1 296.823 3.697 20 0 CHADMN CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccn1 ZINC000092407225 1118844701 /nfs/dbraw/zinc/84/47/01/1118844701.db2.gz ZXOWKVKUGMOQGN-UHFFFAOYSA-N 0 1 260.768 3.757 20 0 CHADMN CCN(Cc1ccccc1)Cc1cc(Cl)ccn1 ZINC000092407225 1118844703 /nfs/dbraw/zinc/84/47/03/1118844703.db2.gz ZXOWKVKUGMOQGN-UHFFFAOYSA-N 0 1 260.768 3.757 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc3[nH]c(=O)oc32)s1 ZINC000891922542 1118849173 /nfs/dbraw/zinc/84/91/73/1118849173.db2.gz FBTFNHUKUVFKPP-UHFFFAOYSA-N 0 1 288.372 3.535 20 0 CHADMN O=C(Cc1[nH]nc2ccccc21)NCC1CCCCCCC1 ZINC000065112064 1118849605 /nfs/dbraw/zinc/84/96/05/1118849605.db2.gz IEEALLQHDAYYLW-UHFFFAOYSA-N 0 1 299.418 3.582 20 0 CHADMN Cc1ccc(OC(F)F)c(CN(C)C[C@@H]2CCCCO2)c1 ZINC000092428756 1118850041 /nfs/dbraw/zinc/85/00/41/1118850041.db2.gz UMERNEHQTPCTLN-AWEZNQCLSA-N 0 1 299.361 3.597 20 0 CHADMN CC(C)(C)OC(=O)CCCNCc1cscc1Cl ZINC000610932168 1118910209 /nfs/dbraw/zinc/91/02/09/1118910209.db2.gz UNDCVEVMQSBWKU-UHFFFAOYSA-N 0 1 289.828 3.613 20 0 CHADMN CC[C@H](C)N(CC)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000616980329 1128805799 /nfs/dbraw/zinc/80/57/99/1128805799.db2.gz DYPFERWQPAZSCH-AWEZNQCLSA-N 0 1 297.402 3.508 20 0 CHADMN Cc1cc(Cl)ccc1CNCc1cn2c(cccc2C)n1 ZINC000129583551 1118870215 /nfs/dbraw/zinc/87/02/15/1118870215.db2.gz NKSPMYZPGUTRQS-UHFFFAOYSA-N 0 1 299.805 3.894 20 0 CHADMN C[C@@]1(CNc2cc[nH+]c3c([O-])cccc23)CCO[C@@H]1C1CC1 ZINC000684583155 1118872102 /nfs/dbraw/zinc/87/21/02/1118872102.db2.gz SZZYXNVXWHSMPJ-MSOLQXFVSA-N 0 1 298.386 3.558 20 0 CHADMN C[C@@]1(CNc2cc[nH+]c3c([O-])cccc23)CCO[C@H]1C1CC1 ZINC000684583159 1118872146 /nfs/dbraw/zinc/87/21/46/1118872146.db2.gz SZZYXNVXWHSMPJ-ROUUACIJSA-N 0 1 298.386 3.558 20 0 CHADMN CCOC1CC(CCNc2cc[nH+]c3c([O-])cccc23)C1 ZINC000684589791 1118879661 /nfs/dbraw/zinc/87/96/61/1118879661.db2.gz SSENHAHYJXAAJV-UHFFFAOYSA-N 0 1 286.375 3.558 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc3c(c2)OCO3)s1 ZINC000535781273 1118884972 /nfs/dbraw/zinc/88/49/72/1118884972.db2.gz CQNWUCQBNKOGHW-UHFFFAOYSA-N 0 1 289.400 3.671 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)Cc3ccc(C)c(C)c3)ccc12 ZINC000535821217 1118899031 /nfs/dbraw/zinc/89/90/31/1118899031.db2.gz VAUJXMQOGXTWNU-UHFFFAOYSA-N 0 1 293.370 3.669 20 0 CHADMN Cc1occc1CN[C@H](c1cccnc1)C1CCC1 ZINC000684612824 1118902915 /nfs/dbraw/zinc/90/29/15/1118902915.db2.gz XRODTRLLBZVUHW-INIZCTEOSA-N 0 1 256.349 3.614 20 0 CHADMN COc1ccc(F)c(F)c1CN1CCCCC[C@H]1C ZINC001143419227 1118907161 /nfs/dbraw/zinc/90/71/61/1118907161.db2.gz BQAZBXNVLRQWDU-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN CN(CCC(F)(F)F)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001349647930 1118928856 /nfs/dbraw/zinc/92/88/56/1118928856.db2.gz GZWXXPLGCOQUGH-UONOGXRCSA-N 0 1 287.325 3.791 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1cnc(C)s1 ZINC000040997465 1118929500 /nfs/dbraw/zinc/92/95/00/1118929500.db2.gz WYMHXJLLPZHHAW-LLVKDONJSA-N 0 1 276.405 3.701 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1ccc(O)cc1 ZINC000130294040 1118936730 /nfs/dbraw/zinc/93/67/30/1118936730.db2.gz VRXGYUXBSWTBKK-CYBMUJFWSA-N 0 1 271.360 3.642 20 0 CHADMN COC1(CN[C@H]2CCCc3oc(C)nc32)CCC(C)CC1 ZINC000926335839 1118939848 /nfs/dbraw/zinc/93/98/48/1118939848.db2.gz UWSBCEDPOKCJHD-TVIZTDCDSA-N 0 1 292.423 3.545 20 0 CHADMN COc1ccc([C@H](C)Cn2c(C)nc3c2CCCC3)cc1 ZINC000657261616 1118941627 /nfs/dbraw/zinc/94/16/27/1118941627.db2.gz OUAFFRHKFXVDCP-CYBMUJFWSA-N 0 1 284.403 3.883 20 0 CHADMN C[C@@H](N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ncco1 ZINC000926340859 1118951176 /nfs/dbraw/zinc/95/11/76/1118951176.db2.gz CRQWWSMTJILCBM-MPKXVKKWSA-N 0 1 276.767 3.925 20 0 CHADMN CCC[C@](C)(NCc1nccnc1C)c1ccccc1 ZINC000934180198 1118956348 /nfs/dbraw/zinc/95/63/48/1118956348.db2.gz NUHROOLKDMOBFY-KRWDZBQOSA-N 0 1 269.392 3.590 20 0 CHADMN COCc1csc(CN[C@@H](C)c2ccccc2OC)c1 ZINC000657289223 1118958974 /nfs/dbraw/zinc/95/89/74/1118958974.db2.gz IFSRPGCNNUMPFO-LBPRGKRZSA-N 0 1 291.416 3.754 20 0 CHADMN COCc1csc(CN[C@H](C)c2ccccc2OC)c1 ZINC000657289219 1118959071 /nfs/dbraw/zinc/95/90/71/1118959071.db2.gz IFSRPGCNNUMPFO-GFCCVEGCSA-N 0 1 291.416 3.754 20 0 CHADMN CCOc1ccc(CNCc2ccc(Cl)o2)c(C)c1 ZINC000657289909 1118960899 /nfs/dbraw/zinc/96/08/99/1118960899.db2.gz MJXDRLGFKBUVKB-UHFFFAOYSA-N 0 1 279.767 3.930 20 0 CHADMN CC[C@H](C)[C@@H](C)N(C(=O)c1[nH]nc2ccccc21)C1CC1 ZINC000104567426 1118970932 /nfs/dbraw/zinc/97/09/32/1118970932.db2.gz YMMJGQZWDCWLIH-NWDGAFQWSA-N 0 1 285.391 3.602 20 0 CHADMN Cc1cnc(CN[C@@H](C)c2ccc(F)c3ccccc32)n1C ZINC000342311899 1118973640 /nfs/dbraw/zinc/97/36/40/1118973640.db2.gz QONNQRDEHIIXFS-ZDUSSCGKSA-N 0 1 297.377 3.872 20 0 CHADMN CSc1ncc2c(n1)CN(CCC1CCCCC1)CC2 ZINC001207260165 1118976785 /nfs/dbraw/zinc/97/67/85/1118976785.db2.gz BAAOTRGZDDYOBO-UHFFFAOYSA-N 0 1 291.464 3.527 20 0 CHADMN Cc1cc(C)[nH+]c(Nc2cc(C)c(C(=O)[O-])c(C)c2)c1 ZINC001216308661 1118978250 /nfs/dbraw/zinc/97/82/50/1118978250.db2.gz ZVTONAVKXQWIKW-UHFFFAOYSA-N 0 1 270.332 3.757 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1csc(Cc2ccccc2)n1 ZINC000071950753 1118979893 /nfs/dbraw/zinc/97/98/93/1118979893.db2.gz UPHJSIBDIIQOAK-ZDUSSCGKSA-N 0 1 286.444 3.964 20 0 CHADMN Cc1ccccc1CCNCc1nc(C(C)(C)C)co1 ZINC000724377853 1118981828 /nfs/dbraw/zinc/98/18/28/1118981828.db2.gz YSHXCDKPEBKVNF-UHFFFAOYSA-N 0 1 272.392 3.613 20 0 CHADMN Cc1ccc(CNCc2cccc(OCC(F)F)c2)o1 ZINC000105483650 1118982364 /nfs/dbraw/zinc/98/23/64/1118982364.db2.gz RQFSMFAVLYJSPR-UHFFFAOYSA-N 0 1 281.302 3.522 20 0 CHADMN Cc1c(Br)cncc1CNCc1ccsc1 ZINC000657309508 1118982680 /nfs/dbraw/zinc/98/26/80/1118982680.db2.gz FCPRXCQKQJTYNS-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN C[C@@H]1CCN(Cc2cnn(C)c2C2CC2)[C@@H](c2ccco2)C1 ZINC000892152796 1118988419 /nfs/dbraw/zinc/98/84/19/1118988419.db2.gz IVQOHAHYAXFVEP-CZUORRHYSA-N 0 1 299.418 3.864 20 0 CHADMN C[C@H](NC/C=C/Cl)c1ccc(Br)cc1F ZINC000308921698 1118991451 /nfs/dbraw/zinc/99/14/51/1118991451.db2.gz CGROUBRRUOCXOR-NCJLJLRUSA-N 0 1 292.579 3.991 20 0 CHADMN CCc1cccc2cc(CNCc3ccc(C)nc3)oc21 ZINC000657314632 1118991712 /nfs/dbraw/zinc/99/17/12/1118991712.db2.gz YMPQWCRPNVHLCW-UHFFFAOYSA-N 0 1 280.371 3.988 20 0 CHADMN Cc1nc([C@H](C)N(C)Cc2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000582048763 1118994678 /nfs/dbraw/zinc/99/46/78/1118994678.db2.gz CPJFGYRFYNYSLR-LBPRGKRZSA-N 0 1 286.423 3.604 20 0 CHADMN CSC1CCC(CNCc2nc(C(C)(C)C)co2)CC1 ZINC000724424891 1118999053 /nfs/dbraw/zinc/99/90/53/1118999053.db2.gz PRWQRDVAQKYDFV-UHFFFAOYSA-N 0 1 296.480 3.984 20 0 CHADMN CN(Cc1csc(C(F)(F)F)c1)[C@@H]1CCSC1 ZINC000628131752 1128814542 /nfs/dbraw/zinc/81/45/42/1128814542.db2.gz IJHAIBJUBZVRQE-SECBINFHSA-N 0 1 281.368 3.704 20 0 CHADMN Cc1c(F)ccc(F)c1Nc1ccc2nccn2c1 ZINC001216342010 1119005431 /nfs/dbraw/zinc/00/54/31/1119005431.db2.gz HGXHVKNBUGSKRB-UHFFFAOYSA-N 0 1 259.259 3.665 20 0 CHADMN Cc1nc(C)c(CN[C@@H](c2ncccc2C)C(C)(C)C)[nH]1 ZINC000934287402 1119009430 /nfs/dbraw/zinc/00/94/30/1119009430.db2.gz KRNUZFXEWRRINL-INIZCTEOSA-N 0 1 286.423 3.607 20 0 CHADMN CC[C@@H](F)CN(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511075860 1119011984 /nfs/dbraw/zinc/01/19/84/1119011984.db2.gz TXHVMLSHDFWAQW-GFCCVEGCSA-N 0 1 293.304 3.808 20 0 CHADMN C[C@@H]1CN(Cc2cnn(C3CCC3)c2)[C@H]1c1ccccc1 ZINC000892194865 1119016848 /nfs/dbraw/zinc/01/68/48/1119016848.db2.gz JJMLQKKIVSAWFR-RDTXWAMCSA-N 0 1 281.403 3.801 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1noc(-c2ccccc2)n1 ZINC000657347942 1119017383 /nfs/dbraw/zinc/01/73/83/1119017383.db2.gz ZWQNDQMFBQMRKO-REBRKWNGSA-N 0 1 283.375 3.576 20 0 CHADMN C[C@H]1Oc2ccccc2[C@H]1NCc1cccc2cc[nH]c21 ZINC000342426061 1119019095 /nfs/dbraw/zinc/01/90/95/1119019095.db2.gz HMFNEYKGRKFJQR-PXAZEXFGSA-N 0 1 278.355 3.780 20 0 CHADMN C[C@H]1Oc2ccccc2[C@@H]1NCc1cccc2cc[nH]c21 ZINC000342426069 1119019356 /nfs/dbraw/zinc/01/93/56/1119019356.db2.gz HMFNEYKGRKFJQR-SJKOYZFVSA-N 0 1 278.355 3.780 20 0 CHADMN CC[C@H](NCc1cnn2c1CCC2)c1ccc(Cl)s1 ZINC000657361291 1119026463 /nfs/dbraw/zinc/02/64/63/1119026463.db2.gz KMARXXMANQBREY-NSHDSACASA-N 0 1 295.839 3.785 20 0 CHADMN CCCn1nccc1CNCc1oc2ccccc2c1C ZINC000657361897 1119026949 /nfs/dbraw/zinc/02/69/49/1119026949.db2.gz LVMQKIXBMAIJOC-UHFFFAOYSA-N 0 1 283.375 3.638 20 0 CHADMN C[C@@H]1CN(Cc2cccs2)C[C@H](c2ccccc2)O1 ZINC000122165060 1119028153 /nfs/dbraw/zinc/02/81/53/1119028153.db2.gz ZDYYVBSXIAZAFH-CZUORRHYSA-N 0 1 273.401 3.710 20 0 CHADMN CCOc1ccc(CN[C@H](COC)c2ccccc2)c(C)c1 ZINC000657365718 1119032681 /nfs/dbraw/zinc/03/26/81/1119032681.db2.gz FUMWQAMZDPCRRI-LJQANCHMSA-N 0 1 299.414 3.871 20 0 CHADMN CC(C)CSCCNCc1occc1Br ZINC000309023227 1119039299 /nfs/dbraw/zinc/03/92/99/1119039299.db2.gz YMMZJHCTEOBVQX-UHFFFAOYSA-N 0 1 292.242 3.521 20 0 CHADMN Cc1c[nH]c(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)n1 ZINC000657378060 1119041140 /nfs/dbraw/zinc/04/11/40/1119041140.db2.gz XBAWUJLXDVWCMN-QSGSBWRWSA-N 0 1 289.810 3.858 20 0 CHADMN CCN(C/C=C/c1ccccc1)Cc1ccccn1 ZINC000119775106 1119056144 /nfs/dbraw/zinc/05/61/44/1119056144.db2.gz SISXYHPJABKJCC-DHZHZOJOSA-N 0 1 252.361 3.617 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1c2ccccc2oc1CC ZINC000582366081 1119060286 /nfs/dbraw/zinc/06/02/86/1119060286.db2.gz YZFYRYQGGNFDMH-AWEZNQCLSA-N 0 1 289.375 3.680 20 0 CHADMN CCC1(CC)CCCN(C(=O)C(C)(C)c2c[nH]cn2)CC1 ZINC000684835503 1119061494 /nfs/dbraw/zinc/06/14/94/1119061494.db2.gz YXALUHFGDBGSCC-UHFFFAOYSA-N 0 1 291.439 3.506 20 0 CHADMN CC(C)CCC(=O)Nc1ccccc1Nc1ccncc1 ZINC000684850708 1119067938 /nfs/dbraw/zinc/06/79/38/1119067938.db2.gz FFXUQOZRYAXYGC-UHFFFAOYSA-N 0 1 283.375 3.622 20 0 CHADMN COCC[C@@H](NCc1cc2ccc(C)cc2[nH]1)c1ccco1 ZINC000657429814 1119081626 /nfs/dbraw/zinc/08/16/26/1119081626.db2.gz KTMNURPAFCYBAT-MRXNPFEDSA-N 0 1 298.386 3.937 20 0 CHADMN Cc1c[nH]c(CN2CCCC[C@@H]2CCc2ccccc2)n1 ZINC000628171817 1128820684 /nfs/dbraw/zinc/82/06/84/1128820684.db2.gz NOLOTOGVFSKZTD-QGZVFWFLSA-N 0 1 283.419 3.705 20 0 CHADMN Cc1cc(CNCc2ccnn2CC2CC2)ccc1Cl ZINC000657434244 1119085785 /nfs/dbraw/zinc/08/57/85/1119085785.db2.gz BGDNZZQFJKJYFN-UHFFFAOYSA-N 0 1 289.810 3.545 20 0 CHADMN Cc1nc[nH]c1CN(C)C(c1ccccc1)c1ccccc1 ZINC001204588574 1119085900 /nfs/dbraw/zinc/08/59/00/1119085900.db2.gz JHFFOLXEXYPKTQ-UHFFFAOYSA-N 0 1 291.398 3.940 20 0 CHADMN Cc1nnc(CN2CCC[C@H](C(C)(C)C)CC2)n1C1CC1 ZINC000116308332 1119089079 /nfs/dbraw/zinc/08/90/79/1119089079.db2.gz FXMIRPILZSEXRU-AWEZNQCLSA-N 0 1 290.455 3.570 20 0 CHADMN Cc1cccc(CN2CCc3ccccc3[C@@H]2C)n1 ZINC000342586303 1119092578 /nfs/dbraw/zinc/09/25/78/1119092578.db2.gz JPXJHCVAQQERSK-AWEZNQCLSA-N 0 1 252.361 3.509 20 0 CHADMN Cc1ccc2c(CN(C)[C@H](C)c3ccco3)cc(=O)oc2c1 ZINC000069070109 1128821352 /nfs/dbraw/zinc/82/13/52/1128821352.db2.gz KGDKKUVSJFXBHJ-CYBMUJFWSA-N 0 1 297.354 3.887 20 0 CHADMN C[C@]1(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)CCCS1 ZINC000628172325 1128821843 /nfs/dbraw/zinc/82/18/43/1128821843.db2.gz DMDDTTFHEUGRDO-SJORKVTESA-N 0 1 291.460 3.520 20 0 CHADMN c1cn(-c2ccccc2)nc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000342624252 1119104310 /nfs/dbraw/zinc/10/43/10/1119104310.db2.gz QYSJOWXGNDOBKI-QAPCUYQASA-N 0 1 281.403 3.637 20 0 CHADMN c1coc(-c2nc(CN3C[C@H]4CCC[C@@H]4C3)cs2)c1 ZINC000152665692 1119104422 /nfs/dbraw/zinc/10/44/22/1119104422.db2.gz YIXAOBDABSRTRL-VXGBXAGGSA-N 0 1 274.389 3.635 20 0 CHADMN CC[C@@H]1C[C@@H](N[C@@H](c2ccc(C)cc2)c2ccccn2)CO1 ZINC000657452785 1119106781 /nfs/dbraw/zinc/10/67/81/1119106781.db2.gz JSMBERHRFQGQPZ-LMMKCTJWSA-N 0 1 296.414 3.637 20 0 CHADMN CCc1cccc2cc(CNCc3n[nH]c(C(C)C)n3)oc21 ZINC000657478965 1119120155 /nfs/dbraw/zinc/12/01/55/1119120155.db2.gz OTDHGQMAGYSAII-UHFFFAOYSA-N 0 1 298.390 3.527 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000342672750 1119120360 /nfs/dbraw/zinc/12/03/60/1119120360.db2.gz DXCCWSKTSLMYOV-INIZCTEOSA-N 0 1 269.392 3.637 20 0 CHADMN CC[C@H]1CCCCN1Cc1ccn(-c2ccccc2)n1 ZINC000342672750 1119120362 /nfs/dbraw/zinc/12/03/62/1119120362.db2.gz DXCCWSKTSLMYOV-INIZCTEOSA-N 0 1 269.392 3.637 20 0 CHADMN CC[C@H](CO)N(Cc1ccccc1)Cc1ccccc1F ZINC000342682390 1119124846 /nfs/dbraw/zinc/12/48/46/1119124846.db2.gz XOIGJZNMUKOSIX-QGZVFWFLSA-N 0 1 287.378 3.599 20 0 CHADMN CCOc1cccc(CN(C)[C@H](C)c2ccc(F)cc2)n1 ZINC000349749288 1119126698 /nfs/dbraw/zinc/12/66/98/1119126698.db2.gz PQFUKVFHLSSVGZ-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN CCOc1ccccc1CN[C@@H]1CCCc2cccnc21 ZINC000684953006 1119139723 /nfs/dbraw/zinc/13/97/23/1119139723.db2.gz DFEKGRAWVHECIC-MRXNPFEDSA-N 0 1 282.387 3.648 20 0 CHADMN c1ccc2c(c1)OCCC[C@@H]2N[C@H]1CCCc2cccnc21 ZINC000684955535 1119140347 /nfs/dbraw/zinc/14/03/47/1119140347.db2.gz PIPLDJGDRNZZCF-IRXDYDNUSA-N 0 1 294.398 3.963 20 0 CHADMN CCC[C@@H](N[C@@H]1CCCc2cccnc21)c1ccccn1 ZINC000684954545 1119141071 /nfs/dbraw/zinc/14/10/71/1119141071.db2.gz APCRBKYQIYOGMJ-IAGOWNOFSA-N 0 1 281.403 3.985 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2N[C@@H]1CCCc2cccnc21 ZINC000684955631 1119141423 /nfs/dbraw/zinc/14/14/23/1119141423.db2.gz QYIRAGHDPWHQMZ-IAGOWNOFSA-N 0 1 282.362 3.875 20 0 CHADMN CCC[C@H](N[C@@H]1CCCc2cccnc21)c1ccccn1 ZINC000684954544 1119141438 /nfs/dbraw/zinc/14/14/38/1119141438.db2.gz APCRBKYQIYOGMJ-DLBZAZTESA-N 0 1 281.403 3.985 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2N[C@H]1CCCc2cccnc21 ZINC000684955836 1119142042 /nfs/dbraw/zinc/14/20/42/1119142042.db2.gz QYIRAGHDPWHQMZ-IRXDYDNUSA-N 0 1 282.362 3.875 20 0 CHADMN OCCC[C@@H](N[C@@H]1CCCc2cccnc21)c1ccccc1 ZINC000684957473 1119142645 /nfs/dbraw/zinc/14/26/45/1119142645.db2.gz VNTDJPDGLZNOFJ-QZTJIDSGSA-N 0 1 296.414 3.562 20 0 CHADMN OCCC[C@H](N[C@@H]1CCCc2cccnc21)c1ccccc1 ZINC000684957477 1119143121 /nfs/dbraw/zinc/14/31/21/1119143121.db2.gz VNTDJPDGLZNOFJ-ZWKOTPCHSA-N 0 1 296.414 3.562 20 0 CHADMN COc1ccc(C)cc1CN[C@@H]1CCCc2cccnc21 ZINC000684958626 1119143158 /nfs/dbraw/zinc/14/31/58/1119143158.db2.gz RJTVGOZURSYMQT-MRXNPFEDSA-N 0 1 282.387 3.566 20 0 CHADMN CC(C)(C)c1cc(Nc2ncc(Cl)cc2N)ccn1 ZINC001213162733 1119145356 /nfs/dbraw/zinc/14/53/56/1119145356.db2.gz KJSHSVNHTLODRM-UHFFFAOYSA-N 0 1 276.771 3.753 20 0 CHADMN CCc1cnccc1[C@H](C)N[C@H]1CCCc2cccnc21 ZINC000684960799 1119144403 /nfs/dbraw/zinc/14/44/03/1119144403.db2.gz TZEZEQIAOAXGHD-GUYCJALGSA-N 0 1 281.403 3.767 20 0 CHADMN CCCC(CCC)SCc1n[nH]c(C2CC2)n1 ZINC000342733456 1119147503 /nfs/dbraw/zinc/14/75/03/1119147503.db2.gz WXAUVMKOQGZYGP-UHFFFAOYSA-N 0 1 253.415 3.884 20 0 CHADMN C[C@]1(CN2CCc3ccc(F)c(F)c3C2)CCCS1 ZINC000628190608 1128824783 /nfs/dbraw/zinc/82/47/83/1128824783.db2.gz KTHOODOLYXUZPR-OAHLLOKOSA-N 0 1 283.387 3.609 20 0 CHADMN O=C(Nc1nc(C2CCC2)n[nH]1)c1cccc(C2CCC2)c1 ZINC000684980919 1119154753 /nfs/dbraw/zinc/15/47/53/1119154753.db2.gz VAKKRHHOIOGSON-UHFFFAOYSA-N 0 1 296.374 3.592 20 0 CHADMN O=C(Nc1n[nH]c(C2CCC2)n1)c1cccc(C2CCC2)c1 ZINC000684980919 1119154754 /nfs/dbraw/zinc/15/47/54/1119154754.db2.gz VAKKRHHOIOGSON-UHFFFAOYSA-N 0 1 296.374 3.592 20 0 CHADMN Cc1ccc(F)c(CN[C@H]2CCc3c2cccc3O)c1 ZINC000116916675 1119156302 /nfs/dbraw/zinc/15/63/02/1119156302.db2.gz UIEZWRNZZVMIDJ-INIZCTEOSA-N 0 1 271.335 3.617 20 0 CHADMN COCCCCCN1CCn2cccc2[C@H]1c1ccccc1 ZINC000116877183 1119156322 /nfs/dbraw/zinc/15/63/22/1119156322.db2.gz NCFLHZSPZQBVAO-LJQANCHMSA-N 0 1 298.430 3.710 20 0 CHADMN CCCC[N@@H+](Cc1ncc(C)n1C)C1CCCCC1 ZINC000342774690 1119161852 /nfs/dbraw/zinc/16/18/52/1119161852.db2.gz GGIWNIDNQVJFNE-UHFFFAOYSA-N 0 1 263.429 3.663 20 0 CHADMN COc1cccc(CN[C@@H](C)c2c(C)cccc2C)n1 ZINC000342782995 1119165033 /nfs/dbraw/zinc/16/50/33/1119165033.db2.gz PWGYBWXGKQHVKG-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1nc2ccc(Nc3cccc(Cl)n3)cc2[nH]1 ZINC001213070280 1128826813 /nfs/dbraw/zinc/82/68/13/1128826813.db2.gz IKZJENFLZOOLHV-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1ccc(-c2cnc(C[N@@H+](C)CC3CCC3)o2)cc1 ZINC000075738424 1119177531 /nfs/dbraw/zinc/17/75/31/1119177531.db2.gz XVIHSBYTZSWIDN-UHFFFAOYSA-N 0 1 270.376 3.882 20 0 CHADMN Cc1ccc(-c2cnc(CN(C)CC3CCC3)o2)cc1 ZINC000075738424 1119177534 /nfs/dbraw/zinc/17/75/34/1119177534.db2.gz XVIHSBYTZSWIDN-UHFFFAOYSA-N 0 1 270.376 3.882 20 0 CHADMN Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)Cc2ccon2)cc1 ZINC000075886559 1119179793 /nfs/dbraw/zinc/17/97/93/1119179793.db2.gz JQASQZIMEKTAGX-IRXDYDNUSA-N 0 1 270.376 3.751 20 0 CHADMN C[C@@H]1CN(Cc2cc(-c3ccccc3)no2)C[C@H](C)S1 ZINC000075894188 1119180955 /nfs/dbraw/zinc/18/09/55/1119180955.db2.gz QOXDEDBMOVGULL-BETUJISGSA-N 0 1 288.416 3.667 20 0 CHADMN Cc1ccccc1-c1cnc(CN2C[C@@H]3[C@H](C2)C3(C)C)o1 ZINC000075768465 1119181744 /nfs/dbraw/zinc/18/17/44/1119181744.db2.gz QOQQRTZLPYBNPZ-GASCZTMLSA-N 0 1 282.387 3.738 20 0 CHADMN Cc1cc(CN2CCCCC[C@@H]2c2ccco2)on1 ZINC000076804731 1119187659 /nfs/dbraw/zinc/18/76/59/1119187659.db2.gz PEZKPSJAGCYPPO-CQSZACIVSA-N 0 1 260.337 3.693 20 0 CHADMN Cc1nc2c(s1)[C@@H](N(C)CCC(F)(F)F)CCC2 ZINC000077286713 1119191555 /nfs/dbraw/zinc/19/15/55/1119191555.db2.gz MPEMPOCXBBRLNU-JTQLQIEISA-N 0 1 278.343 3.713 20 0 CHADMN CC(C)(C)c1n[nH]cc1CNCc1ccc2occc2c1 ZINC000657585807 1119200017 /nfs/dbraw/zinc/20/00/17/1119200017.db2.gz VJEMGAGAHXKIJM-UHFFFAOYSA-N 0 1 283.375 3.743 20 0 CHADMN COc1cncc(CN[C@H](c2ccccc2F)C(C)C)c1 ZINC000657614191 1119208909 /nfs/dbraw/zinc/20/89/09/1119208909.db2.gz IGZSJLLCBXUPAM-KRWDZBQOSA-N 0 1 288.366 3.716 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@H]1NCc1cnc2ccccc2n1 ZINC000628211997 1128829169 /nfs/dbraw/zinc/82/91/69/1128829169.db2.gz WLPKQALDWRDFFT-YJYMSZOUSA-N 0 1 289.382 3.653 20 0 CHADMN C[C@@H](O)CC(C)(C)CNc1ccnc2cc(F)ccc21 ZINC000078339945 1119213716 /nfs/dbraw/zinc/21/37/16/1119213716.db2.gz RSDIHPZZAPBYKG-LLVKDONJSA-N 0 1 276.355 3.583 20 0 CHADMN Clc1cccc(Cl)c1CN[C@@H]1COC2(CCC2)C1 ZINC000657629786 1119214463 /nfs/dbraw/zinc/21/44/63/1119214463.db2.gz JUJRNDQPBWPCJP-JTQLQIEISA-N 0 1 286.202 3.795 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCC[C@@H](C)[C@@H]1C ZINC000050565876 1119226065 /nfs/dbraw/zinc/22/60/65/1119226065.db2.gz PBHJEGKDELCFHJ-KGLIPLIRSA-N 0 1 289.419 3.908 20 0 CHADMN Cc1[nH]ncc1CNc1ccc2c(c1)C=CCCC2 ZINC000657682167 1119244789 /nfs/dbraw/zinc/24/47/89/1119244789.db2.gz ULQZQDJGQZPPGI-UHFFFAOYSA-N 0 1 253.349 3.680 20 0 CHADMN Cc1ccc(CN2CC(C3CC3)C2)cc1Br ZINC000643345100 1119245924 /nfs/dbraw/zinc/24/59/24/1119245924.db2.gz BEQSBPLQBDXBFH-UHFFFAOYSA-N 0 1 280.209 3.599 20 0 CHADMN Oc1ccc2c(c1)[C@@H](NCc1cc(F)cc(Cl)c1)CC2 ZINC000657693553 1119249954 /nfs/dbraw/zinc/24/99/54/1119249954.db2.gz MUIKTNXKZHSDAB-INIZCTEOSA-N 0 1 291.753 3.962 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2cncnc2)cc1 ZINC000125907263 1119250303 /nfs/dbraw/zinc/25/03/03/1119250303.db2.gz DSCGDARGIHXJBT-KRWDZBQOSA-N 0 1 267.376 3.512 20 0 CHADMN FC(F)(F)COCc1cccc(CNCc2ccco2)c1 ZINC000120923629 1119252432 /nfs/dbraw/zinc/25/24/32/1119252432.db2.gz QNHYGWIDBXHMHJ-UHFFFAOYSA-N 0 1 299.292 3.648 20 0 CHADMN c1cc2c(o1)CCC[C@H]2N[C@H]1CCCc2cccnc21 ZINC000091660460 1119277828 /nfs/dbraw/zinc/27/78/28/1119277828.db2.gz HJZODECLIDONLY-CABCVRRESA-N 0 1 268.360 3.719 20 0 CHADMN Fc1ccc(CN[C@@H]2CCCc3cccnc32)cc1F ZINC000091661380 1119279533 /nfs/dbraw/zinc/27/95/33/1119279533.db2.gz XDKJCGJAUWDMTJ-OAHLLOKOSA-N 0 1 274.314 3.527 20 0 CHADMN Cc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000343015852 1119282965 /nfs/dbraw/zinc/28/29/65/1119282965.db2.gz QOKYYHUAFOABLD-INIZCTEOSA-N 0 1 286.419 3.506 20 0 CHADMN Cc1ccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)cn1 ZINC000153790623 1119287986 /nfs/dbraw/zinc/28/79/86/1119287986.db2.gz CBYZJHIXKYUKRB-IBGZPJMESA-N 0 1 296.414 3.571 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N2CCC3(CCC3)C2)n1 ZINC000123637773 1119299729 /nfs/dbraw/zinc/29/97/29/1119299729.db2.gz SZVNPNPPCREYJP-AWEZNQCLSA-N 0 1 297.402 3.982 20 0 CHADMN CC1(C)[C@H](CNCc2coc(-c3ccccc3)n2)C1(F)F ZINC000657738601 1119305485 /nfs/dbraw/zinc/30/54/85/1119305485.db2.gz QVEMOOUJOOCETG-ZDUSSCGKSA-N 0 1 292.329 3.723 20 0 CHADMN Cc1ccc(CN2C[C@@H](C)[C@@H]2c2ccccc2)nc1 ZINC000154361107 1119308946 /nfs/dbraw/zinc/30/89/46/1119308946.db2.gz ZRAVOSKSJHSRHY-RHSMWYFYSA-N 0 1 252.361 3.583 20 0 CHADMN CCN(Cc1ccc(C)cn1)[C@H](C)c1cccc(O)c1 ZINC000154600203 1119315444 /nfs/dbraw/zinc/31/54/44/1119315444.db2.gz JMERHIMIHUZVKL-CQSZACIVSA-N 0 1 270.376 3.679 20 0 CHADMN CC[C@@H]1CN(Cc2nccc(C)n2)CC[C@@H]1c1ccccc1 ZINC000535962949 1119315692 /nfs/dbraw/zinc/31/56/92/1119315692.db2.gz IWXMIEBAWXINCF-AEFFLSMTSA-N 0 1 295.430 3.801 20 0 CHADMN Cc1nc2cc(N[C@@H]3COCc4ccccc43)ccc2[nH]1 ZINC000225989550 1119320071 /nfs/dbraw/zinc/32/00/71/1119320071.db2.gz NACSUOMOPHQTQE-QGZVFWFLSA-N 0 1 279.343 3.555 20 0 CHADMN c1ccc(-c2nnc(C[N@H+]3CCC4(CCCC4)C3)s2)cc1 ZINC000155286672 1119330988 /nfs/dbraw/zinc/33/09/88/1119330988.db2.gz RSYYABZGTGBFDW-UHFFFAOYSA-N 0 1 299.443 3.971 20 0 CHADMN c1ccc(-c2nnc(CN3CCC4(CCCC4)C3)s2)cc1 ZINC000155286672 1119330991 /nfs/dbraw/zinc/33/09/91/1119330991.db2.gz RSYYABZGTGBFDW-UHFFFAOYSA-N 0 1 299.443 3.971 20 0 CHADMN CCc1ccc(CN[C@H](c2ccccc2)[C@@H](O)C(C)C)o1 ZINC000657747748 1119333414 /nfs/dbraw/zinc/33/34/14/1119333414.db2.gz RTUWOJULWUXTNO-MSOLQXFVSA-N 0 1 287.403 3.690 20 0 CHADMN C[C@H](O)c1ccc(CNCc2sccc2Cl)cc1 ZINC000193037607 1119341481 /nfs/dbraw/zinc/34/14/81/1119341481.db2.gz NZYYJJLBNJFZPS-JTQLQIEISA-N 0 1 281.808 3.745 20 0 CHADMN Cc1nc([C@@H](C)N[C@H](C)CC(F)(F)F)c(C)s1 ZINC000231791816 1119342729 /nfs/dbraw/zinc/34/27/29/1119342729.db2.gz FQRKAVZRHSDDEO-RNFRBKRXSA-N 0 1 266.332 3.751 20 0 CHADMN CC[N@@H+](Cc1ccoc1)Cc1c[nH]nc1-c1ccccc1 ZINC000092935821 1119351431 /nfs/dbraw/zinc/35/14/31/1119351431.db2.gz XBPQJZKLLKRVHM-UHFFFAOYSA-N 0 1 281.359 3.692 20 0 CHADMN CCN(Cc1ccoc1)Cc1c[nH]nc1-c1ccccc1 ZINC000092935821 1119351433 /nfs/dbraw/zinc/35/14/33/1119351433.db2.gz XBPQJZKLLKRVHM-UHFFFAOYSA-N 0 1 281.359 3.692 20 0 CHADMN CCOc1cccc(C[N@@H+](CC)Cc2ccoc2)c1 ZINC000092935748 1119351753 /nfs/dbraw/zinc/35/17/53/1119351753.db2.gz SJNPDKHMLZNMEU-UHFFFAOYSA-N 0 1 259.349 3.700 20 0 CHADMN CCOc1cccc(CN(CC)Cc2ccoc2)c1 ZINC000092935748 1119351755 /nfs/dbraw/zinc/35/17/55/1119351755.db2.gz SJNPDKHMLZNMEU-UHFFFAOYSA-N 0 1 259.349 3.700 20 0 CHADMN Cc1nc2cc(Nc3cnccc3Cl)ccc2[nH]1 ZINC001213070623 1128840258 /nfs/dbraw/zinc/84/02/58/1128840258.db2.gz ZPOKPWLTRBQGGL-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1nc2ccc(Nc3cnccc3Cl)cc2[nH]1 ZINC001213070623 1128840261 /nfs/dbraw/zinc/84/02/61/1128840261.db2.gz ZPOKPWLTRBQGGL-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Clc1cccc(Cl)c1[C@H](N[C@H]1CCOC1)C1CC1 ZINC000583469491 1119362535 /nfs/dbraw/zinc/36/25/35/1119362535.db2.gz PFVHKLWMVZVCAH-IINYFYTJSA-N 0 1 286.202 3.823 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2NC[C@@H]1CCCCC1(F)F ZINC000926502332 1119368035 /nfs/dbraw/zinc/36/80/35/1119368035.db2.gz NTCJRKNTLSLIQR-RYUDHWBXSA-N 0 1 284.350 3.776 20 0 CHADMN Cc1c[nH]c(CN2C[C@@H](C)CC[C@@H]2c2ccccc2)n1 ZINC000628273453 1128841078 /nfs/dbraw/zinc/84/10/78/1128841078.db2.gz VIZFWJILBXYDJM-XJKSGUPXSA-N 0 1 269.392 3.691 20 0 CHADMN CCCc1nc(CN([C@@H](C)C2CC2)C2CC2)cs1 ZINC000047909880 1119372330 /nfs/dbraw/zinc/37/23/30/1119372330.db2.gz KKUJETOHQFNQHK-NSHDSACASA-N 0 1 264.438 3.859 20 0 CHADMN CCC[N@@H+](Cc1ncccc1[O-])[C@@H]1CCc2ccccc2C1 ZINC000583526701 1119373198 /nfs/dbraw/zinc/37/31/98/1119373198.db2.gz XLTZXJXDJUCMFU-QGZVFWFLSA-N 0 1 296.414 3.557 20 0 CHADMN O=C([O-])c1ccc(F)c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000226898214 1119373625 /nfs/dbraw/zinc/37/36/25/1119373625.db2.gz ZCXUELWABWVSOH-BLLLJJGKSA-N 0 1 291.366 3.679 20 0 CHADMN COc1ccc(CN2CC3(C2)CCCC3)cc1OC1CC1 ZINC000628281367 1128842233 /nfs/dbraw/zinc/84/22/33/1128842233.db2.gz SVJCLDRVGHMBOK-UHFFFAOYSA-N 0 1 287.403 3.612 20 0 CHADMN Cc1nc(C)c(CN[C@H]2CCCc3ccc(C)cc32)o1 ZINC000628282179 1128842260 /nfs/dbraw/zinc/84/22/60/1128842260.db2.gz SPIIHGDAHMXLIP-INIZCTEOSA-N 0 1 270.376 3.767 20 0 CHADMN CCCCC[C@H](C)NC(=O)c1sccc1CN(C)C ZINC000268021518 1119386799 /nfs/dbraw/zinc/38/67/99/1119386799.db2.gz JHVPEFQJCZHOKG-LBPRGKRZSA-N 0 1 282.453 3.508 20 0 CHADMN CCc1cccc(CN2CCC3(C2)Oc2ccccc2O3)c1 ZINC000583657237 1119390985 /nfs/dbraw/zinc/39/09/85/1119390985.db2.gz FIACCKLUKWWGSK-UHFFFAOYSA-N 0 1 295.382 3.622 20 0 CHADMN COc1cccc(C2(NCc3scnc3C)CCC2)c1 ZINC000657780525 1119391727 /nfs/dbraw/zinc/39/17/27/1119391727.db2.gz AJPXBTKUDLYPOE-UHFFFAOYSA-N 0 1 288.416 3.629 20 0 CHADMN CCN(Cc1csc(C(F)(F)F)c1)C[C@H](C)OC ZINC000628290834 1128843044 /nfs/dbraw/zinc/84/30/44/1128843044.db2.gz ZOWVTAZZJWHIKQ-VIFPVBQESA-N 0 1 281.343 3.624 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNCc2ccc3c(c2)COC3)o1 ZINC000343366384 1119398759 /nfs/dbraw/zinc/39/87/59/1119398759.db2.gz OIKXAHJLBXRIHI-SJCJKPOMSA-N 0 1 283.371 3.723 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNCc2ccc3c(c2)COC3)o1 ZINC000343366385 1119398930 /nfs/dbraw/zinc/39/89/30/1119398930.db2.gz OIKXAHJLBXRIHI-SJKOYZFVSA-N 0 1 283.371 3.723 20 0 CHADMN Fc1ccc(Cl)cc1CN1CC[C@@H](c2cccnc2)C1 ZINC000564725903 1119403731 /nfs/dbraw/zinc/40/37/31/1119403731.db2.gz GCBUGAXIHOVFCL-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1cc(CN2CC[C@]3(CCCO3)C2)cc(C(F)(F)F)c1 ZINC001143451061 1119404211 /nfs/dbraw/zinc/40/42/11/1119404211.db2.gz MQXBNCCCLWEZOI-OAHLLOKOSA-N 0 1 299.336 3.769 20 0 CHADMN C[C@@H]1C[C@H]1[C@H](NCc1nccn1C)c1ccc(Cl)cc1 ZINC000343381681 1119405357 /nfs/dbraw/zinc/40/53/57/1119405357.db2.gz NUFATSUZIQVEJC-DJSGYFEHSA-N 0 1 289.810 3.560 20 0 CHADMN CC(C)(C)C(F)(F)CN[C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000657793191 1119412524 /nfs/dbraw/zinc/41/25/24/1119412524.db2.gz HUGSARKIDZEUJR-BFHYXJOUSA-N 0 1 289.410 3.853 20 0 CHADMN Cc1cccc2c1CCC[C@H]2NCc1cn2ccccc2n1 ZINC000657797899 1119419512 /nfs/dbraw/zinc/41/95/12/1119419512.db2.gz NMHCNPHMMXZWMX-GOSISDBHSA-N 0 1 291.398 3.810 20 0 CHADMN CCOc1cc(CN2CCC23CCCC3)c(F)cc1OC ZINC000628323431 1128847637 /nfs/dbraw/zinc/84/76/37/1128847637.db2.gz UHNBSDKNFGOSJQ-UHFFFAOYSA-N 0 1 293.382 3.752 20 0 CHADMN C[C@H](C(=O)Nc1ccccc1SC1CCCC1)N(C)C ZINC000635258565 1119421262 /nfs/dbraw/zinc/42/12/62/1119421262.db2.gz NDZGZNVGMHNBES-GFCCVEGCSA-N 0 1 292.448 3.610 20 0 CHADMN CCOc1cccc(CN[C@@H]2CCCc3c(C)cccc32)n1 ZINC000657799338 1119422679 /nfs/dbraw/zinc/42/26/79/1119422679.db2.gz UWDLGUYKCPBTOR-GOSISDBHSA-N 0 1 296.414 3.956 20 0 CHADMN COc1cccc(CNCc2ccc(F)cc2F)c1C ZINC000657802037 1119427342 /nfs/dbraw/zinc/42/73/42/1119427342.db2.gz QWPJNHWUDPDWRI-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN Cc1cccc2nc(-c3cccc(-n4cccn4)c3)[nH]c21 ZINC000536153862 1119428471 /nfs/dbraw/zinc/42/84/71/1119428471.db2.gz AGUGMTXPWQPWER-UHFFFAOYSA-N 0 1 274.327 3.724 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccccc2F)c1C ZINC000657804399 1119430409 /nfs/dbraw/zinc/43/04/09/1119430409.db2.gz YYGPLEICBDVKSH-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN CC(C)N(Cc1n[nH]c2cc(N)ccc21)Cc1ccccc1 ZINC001204611492 1119435119 /nfs/dbraw/zinc/43/51/19/1119435119.db2.gz OMRSQUBFDCAHGR-UHFFFAOYSA-N 0 1 294.402 3.556 20 0 CHADMN CCCO[C@H]1CCCN(Cc2nc(C3CC3)cs2)CC1 ZINC000343532200 1119445017 /nfs/dbraw/zinc/44/50/17/1119445017.db2.gz PBCIDDMFMIMRPF-AWEZNQCLSA-N 0 1 294.464 3.802 20 0 CHADMN Cc1nc2c(o1)CCC[C@H]2NCCc1cc(C)ccc1F ZINC000926543246 1119447747 /nfs/dbraw/zinc/44/77/47/1119447747.db2.gz VOBUTNIERZTQQL-OAHLLOKOSA-N 0 1 288.366 3.640 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000226990530 1119452665 /nfs/dbraw/zinc/45/26/65/1119452665.db2.gz YODQFFBOGBNCQO-GOEBONIOSA-N 0 1 275.392 3.570 20 0 CHADMN C[C@H](NCc1ccn(C)c1)c1ccc(F)cc1OC(F)F ZINC000158575673 1119458208 /nfs/dbraw/zinc/45/82/08/1119458208.db2.gz UVAMGPXDWOBQTC-JTQLQIEISA-N 0 1 298.308 3.616 20 0 CHADMN Cc1cc(C)c(CNCc2ccc(F)c(Cl)c2)cn1 ZINC000397476890 1119458544 /nfs/dbraw/zinc/45/85/44/1119458544.db2.gz AVFNEUZRAKJQSQ-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN C[C@H](N[C@@H]1CCCn2nccc21)c1cccc(Cl)c1 ZINC000657819743 1119462159 /nfs/dbraw/zinc/46/21/59/1119462159.db2.gz YOTXHTHHCAQREX-SMDDNHRTSA-N 0 1 275.783 3.722 20 0 CHADMN C[C@H](O)[C@@H](NCc1ccccc1Cl)c1ccccc1 ZINC000657821019 1119464436 /nfs/dbraw/zinc/46/44/36/1119464436.db2.gz YELHCPCROIWKRO-BLLLJJGKSA-N 0 1 275.779 3.552 20 0 CHADMN O=C([O-])[C@H](CC[N@H+]1CCC[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000565101262 1119467522 /nfs/dbraw/zinc/46/75/22/1119467522.db2.gz CYYJFDBAKQFVFG-ZACQAIPSSA-N 0 1 287.403 3.509 20 0 CHADMN C[C@@H](N[C@H](C)c1cccnc1)c1cc2cnccc2o1 ZINC000657824463 1119470183 /nfs/dbraw/zinc/47/01/83/1119470183.db2.gz JDVUTWQFOPQPRX-VXGBXAGGSA-N 0 1 267.332 3.635 20 0 CHADMN Cc1nn(C(C)C)cc1CN(C)Cc1ccc(F)cc1C ZINC000343610793 1119470194 /nfs/dbraw/zinc/47/01/94/1119470194.db2.gz ZMWUOWTUKJGCDA-UHFFFAOYSA-N 0 1 289.398 3.852 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2c1cnn2C)c1ccccc1F ZINC000168755558 1119475615 /nfs/dbraw/zinc/47/56/15/1119475615.db2.gz HGULJDIZTXFVMO-CVEARBPZSA-N 0 1 287.382 3.678 20 0 CHADMN Cc1occc1CNCc1ccc(Br)cc1C ZINC000343637133 1119476744 /nfs/dbraw/zinc/47/67/44/1119476744.db2.gz IXXDBJYMTAQCNS-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN CC(C)C[C@H](C[N@H+]1[C@@H](C)CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000650796549 1119477077 /nfs/dbraw/zinc/47/70/77/1119477077.db2.gz XCLOQORVLHPMPT-UAGQMJEPSA-N 0 1 289.419 3.754 20 0 CHADMN C[C@@H](N[C@@H]1CCCn2nccc21)c1ccc(Cl)s1 ZINC000657829011 1119478812 /nfs/dbraw/zinc/47/88/12/1119478812.db2.gz XLNSZXNYIRCRQJ-NXEZZACHSA-N 0 1 281.812 3.784 20 0 CHADMN COC(=O)c1ccccc1CN(C)[C@@H]1CCc2ccccc21 ZINC000350001392 1119484328 /nfs/dbraw/zinc/48/43/28/1119484328.db2.gz KPVOXPQPIKWQSN-GOSISDBHSA-N 0 1 295.382 3.593 20 0 CHADMN Cc1ncc(CN2CCCCC[C@@H]2c2ccco2)o1 ZINC000628176453 1119485983 /nfs/dbraw/zinc/48/59/83/1119485983.db2.gz KIZDCPHSOZAVPH-CQSZACIVSA-N 0 1 260.337 3.693 20 0 CHADMN Clc1ccc([C@H]2CCN(Cc3nccs3)C2)cc1 ZINC000135070286 1119493303 /nfs/dbraw/zinc/49/33/03/1119493303.db2.gz IQVKSPRHTKICIJ-LBPRGKRZSA-N 0 1 278.808 3.786 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CCC[C@H]1C(C)C ZINC000343736912 1119497767 /nfs/dbraw/zinc/49/77/67/1119497767.db2.gz RMWCZYZIEDONCM-AWEZNQCLSA-N 0 1 289.398 3.816 20 0 CHADMN Cc1noc([C@@H](N[C@@H](C)Cc2ccc(C)cc2)C(C)C)n1 ZINC000167946824 1119500060 /nfs/dbraw/zinc/50/00/60/1119500060.db2.gz NSFSGRKCQWUJQP-BBRMVZONSA-N 0 1 287.407 3.604 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000302736608 1119501589 /nfs/dbraw/zinc/50/15/89/1119501589.db2.gz IDNDKNZPUOZRLF-MRXNPFEDSA-N 0 1 298.405 3.705 20 0 CHADMN c1cc2n(n1)CCC[C@@H]2NCc1ccc(-c2ccccc2)o1 ZINC000657845782 1119507797 /nfs/dbraw/zinc/50/77/97/1119507797.db2.gz XTTLPSROJWXLII-INIZCTEOSA-N 0 1 293.370 3.768 20 0 CHADMN CC(C)COc1ccc(CN[C@H]2CCCn3nccc32)cc1 ZINC000657845743 1119507893 /nfs/dbraw/zinc/50/78/93/1119507893.db2.gz XCJZFCXOCQPAIB-KRWDZBQOSA-N 0 1 299.418 3.543 20 0 CHADMN COc1cc(CN2CCC23CCC3)ccc1SC ZINC000081545610 1119516532 /nfs/dbraw/zinc/51/65/32/1119516532.db2.gz HRSBNODOZTZUTH-UHFFFAOYSA-N 0 1 263.406 3.546 20 0 CHADMN Clc1ccc([C@H]2CCN2CCc2ccncc2)cc1 ZINC000081604824 1119518930 /nfs/dbraw/zinc/51/89/30/1119518930.db2.gz SZPHKXAFRAEHBM-MRXNPFEDSA-N 0 1 272.779 3.725 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc2ccccc2o1 ZINC000262385679 1119520627 /nfs/dbraw/zinc/52/06/27/1119520627.db2.gz ZFIHEZBHUNUVGR-KCXAZCMYSA-N 0 1 299.370 3.651 20 0 CHADMN CC(C)[N@@H+](CC[C@@H](C(=O)[O-])c1ccccc1)C1CCC1 ZINC000584416093 1119532937 /nfs/dbraw/zinc/53/29/37/1119532937.db2.gz MEXKDFGALHJZJH-MRXNPFEDSA-N 0 1 275.392 3.508 20 0 CHADMN C[C@@H]1C[C@@H](N[C@H](CO)c2ccsc2)c2ccccc21 ZINC000343790897 1119535489 /nfs/dbraw/zinc/53/54/89/1119535489.db2.gz INTPCJZLUVRLGY-HFBAOOFYSA-N 0 1 273.401 3.620 20 0 CHADMN Cc1csc(CN2CC[C@H](c3ccccc3F)C2)n1 ZINC000088598650 1119537160 /nfs/dbraw/zinc/53/71/60/1119537160.db2.gz AJKMXRRFGSDMPX-LBPRGKRZSA-N 0 1 276.380 3.580 20 0 CHADMN CCO[C@H]1C[C@@H](N[C@@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000926564522 1119540587 /nfs/dbraw/zinc/54/05/87/1119540587.db2.gz VEBJHBYMJJKDLF-SCTDSRPQSA-N 0 1 296.414 3.637 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccsc1)CO2 ZINC000090452927 1119544257 /nfs/dbraw/zinc/54/42/57/1119544257.db2.gz NUKKRZNAASWDTQ-BXUZGUMPSA-N 0 1 259.374 3.841 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccccc1N(C)C)CO2 ZINC000090452197 1119544544 /nfs/dbraw/zinc/54/45/44/1119544544.db2.gz RRLLYMQYUSYYHR-WMLDXEAASA-N 0 1 296.414 3.845 20 0 CHADMN CCc1ccc([C@H](CO)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000090844243 1119549709 /nfs/dbraw/zinc/54/97/09/1119549709.db2.gz BNXMRNPLEFXEAU-UGSOOPFHSA-N 0 1 287.378 3.772 20 0 CHADMN CCc1ccc([C@@H](CO)N[C@@H](C)c2ccsc2)cc1 ZINC000090844632 1119550459 /nfs/dbraw/zinc/55/04/59/1119550459.db2.gz UHYYDGSYOZRMKT-BLLLJJGKSA-N 0 1 275.417 3.695 20 0 CHADMN CC[C@H](CSC)N(C)Cc1nc2ccc(F)cc2o1 ZINC000091097540 1119553653 /nfs/dbraw/zinc/55/36/53/1119553653.db2.gz RMTSVANRTGKRHQ-LLVKDONJSA-N 0 1 282.384 3.540 20 0 CHADMN FCC1(CF)CC(NCc2cc(-c3ccccc3)on2)C1 ZINC000657863312 1119553788 /nfs/dbraw/zinc/55/37/88/1119553788.db2.gz ICEIDBMHEQHRLS-UHFFFAOYSA-N 0 1 292.329 3.519 20 0 CHADMN CC(C)[C@@H](NCc1ccccc1F)c1cccnc1 ZINC000091263194 1119554059 /nfs/dbraw/zinc/55/40/59/1119554059.db2.gz IRTSIUFNJMYUGL-MRXNPFEDSA-N 0 1 258.340 3.708 20 0 CHADMN c1csc([C@@H](NCc2cn3ccsc3n2)C2CC2)c1 ZINC000091309031 1119555123 /nfs/dbraw/zinc/55/51/23/1119555123.db2.gz MKJYVHMLIOCJHF-ZDUSSCGKSA-N 0 1 289.429 3.698 20 0 CHADMN Cc1nnsc1CN(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000584448418 1119556841 /nfs/dbraw/zinc/55/68/41/1119556841.db2.gz XYSRNHVBGUZFHZ-JTQLQIEISA-N 0 1 295.839 3.563 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1c(C)nc2ccccn21 ZINC000092224526 1119559513 /nfs/dbraw/zinc/55/95/13/1119559513.db2.gz GGLFWIFVZFTRRT-INIZCTEOSA-N 0 1 294.402 3.621 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3ccc(C)cc3F)ccc12 ZINC000091826886 1119560276 /nfs/dbraw/zinc/56/02/76/1119560276.db2.gz KDBKDJFUKAHBAD-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN c1c[nH]c([C@H]2CCCCN2C[C@H]2C[C@H]2c2ccccc2)n1 ZINC000092729201 1119565192 /nfs/dbraw/zinc/56/51/92/1119565192.db2.gz JINDJHZMLTYFMY-IXDOHACOSA-N 0 1 281.403 3.740 20 0 CHADMN CC(C)Oc1ccc(CN[C@H](C)c2ccc(F)cn2)cc1 ZINC000092738503 1119565400 /nfs/dbraw/zinc/56/54/00/1119565400.db2.gz RSBWDJCQWULKED-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN CCc1ncc(CN2CCc3ccccc3[C@H]2C)s1 ZINC000093149275 1119569891 /nfs/dbraw/zinc/56/98/91/1119569891.db2.gz ZWAKQDHBNVKION-GFCCVEGCSA-N 0 1 272.417 3.825 20 0 CHADMN CC(C)[C@@H]1CN(Cc2cnc(C3CCC3)s2)CCS1 ZINC000093869343 1119572795 /nfs/dbraw/zinc/57/27/95/1119572795.db2.gz YVXYQLZMTDLFHZ-AWEZNQCLSA-N 0 1 296.505 3.984 20 0 CHADMN Cc1cc(-c2noc(C[C@H]3C=CCCC3)n2)cc2nc[nH]c21 ZINC000685315634 1119578272 /nfs/dbraw/zinc/57/82/72/1119578272.db2.gz AXAHDXBBYNPGRS-LBPRGKRZSA-N 0 1 294.358 3.820 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000250949189 1119584580 /nfs/dbraw/zinc/58/45/80/1119584580.db2.gz LQFRZAVMJMNBJT-OLZOCXBDSA-N 0 1 293.432 3.767 20 0 CHADMN CCCC[N@@H+](C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000212272764 1119586936 /nfs/dbraw/zinc/58/69/36/1119586936.db2.gz MKDMRJGFILZUPH-LBPRGKRZSA-N 0 1 290.190 3.851 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1ccccc1F)c1ccsc1 ZINC000647346041 1119598460 /nfs/dbraw/zinc/59/84/60/1119598460.db2.gz QOOFZJGVJBVUHJ-ABAIWWIYSA-N 0 1 279.380 3.662 20 0 CHADMN CCCCN(Cc1c(C)cnn1C)[C@@H](C)c1ccc(C)o1 ZINC000685410584 1119603351 /nfs/dbraw/zinc/60/33/51/1119603351.db2.gz FWQHYAYSKOGYDW-HNNXBMFYSA-N 0 1 289.423 3.993 20 0 CHADMN C[C@@H](CN(C)Cc1nc(-c2cccs2)no1)C(C)(C)C ZINC000685436281 1119606996 /nfs/dbraw/zinc/60/69/96/1119606996.db2.gz KCJMBQCXKWUNIC-NSHDSACASA-N 0 1 293.436 3.912 20 0 CHADMN C[C@@H](CN[C@H]1CCCC1(F)F)Cc1ccccc1 ZINC000685473121 1119613522 /nfs/dbraw/zinc/61/35/22/1119613522.db2.gz ORCAJXBVWVTWMT-OCCSQVGLSA-N 0 1 253.336 3.643 20 0 CHADMN Fc1cccc(CCN2CCc3sccc3C2)c1F ZINC000544071748 1119621449 /nfs/dbraw/zinc/62/14/49/1119621449.db2.gz GFPTYHULTVDSSZ-UHFFFAOYSA-N 0 1 279.355 3.627 20 0 CHADMN CC[C@H](NCc1cn2ccccc2n1)c1ccccc1 ZINC000051628142 1119628058 /nfs/dbraw/zinc/62/80/58/1119628058.db2.gz XQWQZRSPDLCERY-INIZCTEOSA-N 0 1 265.360 3.575 20 0 CHADMN Cc1nc(C)c(CN2CCCCC[C@@H]2c2ccncc2)o1 ZINC000685561356 1119630403 /nfs/dbraw/zinc/63/04/03/1119630403.db2.gz YZZBCXXECHAMBQ-MRXNPFEDSA-N 0 1 285.391 3.804 20 0 CHADMN C[C@H]1CCCN(Cc2cc(C(C)(C)C)on2)[C@H]1C ZINC000685565055 1119631921 /nfs/dbraw/zinc/63/19/21/1119631921.db2.gz BBIAYSPCBZHQFY-RYUDHWBXSA-N 0 1 250.386 3.593 20 0 CHADMN Cc1ccc2nc(SCc3cccnc3C)[nH]c2c1 ZINC000685564880 1119631882 /nfs/dbraw/zinc/63/18/82/1119631882.db2.gz PNDQESSFDMUBLN-UHFFFAOYSA-N 0 1 269.373 3.867 20 0 CHADMN Cc1nc(C)c(CN[C@H](CC2CC2)c2ccccc2)o1 ZINC000685571336 1119632819 /nfs/dbraw/zinc/63/28/19/1119632819.db2.gz KCXMENJLLSJDJX-MRXNPFEDSA-N 0 1 270.376 3.922 20 0 CHADMN Cc1nc(C)c(CN(C)Cc2cc(C)cc(C)c2)o1 ZINC000685575985 1119634376 /nfs/dbraw/zinc/63/43/76/1119634376.db2.gz FBKPGOIZUCQXIA-UHFFFAOYSA-N 0 1 258.365 3.540 20 0 CHADMN CC1(C)CN(Cc2cccc(Cl)c2)[C@H]1[C@@H]1CCCO1 ZINC000685587832 1119635303 /nfs/dbraw/zinc/63/53/03/1119635303.db2.gz WQBGMWFGQKHCHN-GJZGRUSLSA-N 0 1 279.811 3.729 20 0 CHADMN CCN(Cc1cc(C(C)(C)C)on1)[C@H]1CCOC(C)(C)C1 ZINC000685590128 1119635330 /nfs/dbraw/zinc/63/53/30/1119635330.db2.gz JCRJHSCPDOXSNX-AWEZNQCLSA-N 0 1 294.439 3.752 20 0 CHADMN Cc1cccn2cc(CN3CCC(C)(C4CC4)CC3)nc12 ZINC000685596923 1119636256 /nfs/dbraw/zinc/63/62/56/1119636256.db2.gz JAROLNIAJALEQZ-UHFFFAOYSA-N 0 1 283.419 3.655 20 0 CHADMN Cc1occc1CNCc1cscc1C(F)(F)F ZINC000685613824 1119637723 /nfs/dbraw/zinc/63/77/23/1119637723.db2.gz CTXSQGQWMRGSNL-UHFFFAOYSA-N 0 1 275.295 3.958 20 0 CHADMN COC[C@@H](N[C@H](C)c1cc2cnccc2o1)c1ccccc1 ZINC000657916588 1119638676 /nfs/dbraw/zinc/63/86/76/1119638676.db2.gz HOHYSAPTFXMVKP-CZUORRHYSA-N 0 1 296.370 3.866 20 0 CHADMN C[C@H](N[C@@H]1CCCn2nccc21)c1ccc(Cl)c(F)c1 ZINC000657935509 1119646627 /nfs/dbraw/zinc/64/66/27/1119646627.db2.gz DLLDGMUWOFPKKO-IINYFYTJSA-N 0 1 293.773 3.861 20 0 CHADMN FC(F)Sc1ccc(C[N@H+]2CCOCC3(CC3)C2)cc1 ZINC000782535337 1119647777 /nfs/dbraw/zinc/64/77/77/1119647777.db2.gz KGHNEVYMBISYGY-UHFFFAOYSA-N 0 1 299.386 3.614 20 0 CHADMN FC(F)Sc1ccc(CN2CCOCC3(CC3)C2)cc1 ZINC000782535337 1119647779 /nfs/dbraw/zinc/64/77/79/1119647779.db2.gz KGHNEVYMBISYGY-UHFFFAOYSA-N 0 1 299.386 3.614 20 0 CHADMN C[C@H]1CCc2ccccc2[C@@H]1NCc1ncccc1N(C)C ZINC000685660527 1119647971 /nfs/dbraw/zinc/64/79/71/1119647971.db2.gz CNMCLMVOLIRJAU-IFXJQAMLSA-N 0 1 295.430 3.561 20 0 CHADMN Clc1cccc(C2(N[C@H]3CCCn4nccc43)CC2)c1 ZINC000657949926 1119651011 /nfs/dbraw/zinc/65/10/11/1119651011.db2.gz QMCLCCVARQKGDF-AWEZNQCLSA-N 0 1 287.794 3.650 20 0 CHADMN CCOc1ccc(CN[C@H](CC)c2ccc(OC)cc2)o1 ZINC000892415392 1119654900 /nfs/dbraw/zinc/65/49/00/1119654900.db2.gz GMNZCNPBEPQQRG-MRXNPFEDSA-N 0 1 289.375 3.928 20 0 CHADMN Cn1cc(CN[C@@H]2CCSc3ccccc32)c(C2CC2)n1 ZINC000892416187 1119656922 /nfs/dbraw/zinc/65/69/22/1119656922.db2.gz UKAAMPAHZBRGKE-OAHLLOKOSA-N 0 1 299.443 3.624 20 0 CHADMN Cc1cc(Cl)ncc1NCc1[nH]nc2ccccc21 ZINC000694038350 1119660985 /nfs/dbraw/zinc/66/09/85/1119660985.db2.gz MMBXWKISECWLIR-UHFFFAOYSA-N 0 1 272.739 3.532 20 0 CHADMN CC(C)C[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000307810127 1119662558 /nfs/dbraw/zinc/66/25/58/1119662558.db2.gz IAGYSBPAYCNBAB-GFCCVEGCSA-N 0 1 295.810 3.906 20 0 CHADMN C[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1cc2ccncc2s1 ZINC000658027295 1119666081 /nfs/dbraw/zinc/66/60/81/1119666081.db2.gz BPEBARMQNDLCGU-MDZLAQPJSA-N 0 1 298.415 3.849 20 0 CHADMN C[C@@H](NCc1cccnc1N1CCCC1)c1cccs1 ZINC000658100191 1119685517 /nfs/dbraw/zinc/68/55/17/1119685517.db2.gz HUGNHYLHLJXAGQ-CYBMUJFWSA-N 0 1 287.432 3.594 20 0 CHADMN CC(C)(O)[C@@H]1CCCN1Cc1csc(C(F)(F)F)c1 ZINC000628237860 1119693812 /nfs/dbraw/zinc/69/38/12/1119693812.db2.gz BKFIAFHOOYKCLZ-JTQLQIEISA-N 0 1 293.354 3.502 20 0 CHADMN CN(C/C=C\Cl)CCCc1cc(-c2ccccc2)no1 ZINC000255658944 1119697633 /nfs/dbraw/zinc/69/76/33/1119697633.db2.gz DOEVYTSYQAJBAG-POHAHGRESA-N 0 1 290.794 3.959 20 0 CHADMN Cn1ncc(C2CC2)c1CN[C@H]1CC(C)(C)Cc2occc21 ZINC000658211284 1119700313 /nfs/dbraw/zinc/70/03/13/1119700313.db2.gz BRINQKPPIBGKIZ-HNNXBMFYSA-N 0 1 299.418 3.694 20 0 CHADMN C[C@H](NCc1c(C2CC2)cnn1C)c1csc(Cl)c1 ZINC000658212475 1119707666 /nfs/dbraw/zinc/70/76/66/1119707666.db2.gz KTSPQWFITQMTIH-VIFPVBQESA-N 0 1 295.839 3.863 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@@H]2CCC[C@@H](C)O2)cs1 ZINC000658216739 1119708654 /nfs/dbraw/zinc/70/86/54/1119708654.db2.gz AWBMPUIRJHCBHW-UPJWGTAASA-N 0 1 282.453 3.875 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccc(O)cc21)c1cc2cnccc2o1 ZINC000658239899 1119710118 /nfs/dbraw/zinc/71/01/18/1119710118.db2.gz WMPLOJAQYMLBSA-MEDUHNTESA-N 0 1 294.354 3.872 20 0 CHADMN CC(C)[C@@H](NCc1c(C2CCC2)cnn1C)c1cccnc1 ZINC000658268025 1119713617 /nfs/dbraw/zinc/71/36/17/1119713617.db2.gz KHPBZTTUNKPEAQ-GOSISDBHSA-N 0 1 298.434 3.570 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)no1 ZINC000658255911 1119714368 /nfs/dbraw/zinc/71/43/68/1119714368.db2.gz WUFUFKUQBIIRBY-CFVMTHIKSA-N 0 1 292.423 3.760 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2)c1nccs1 ZINC000658255547 1119714576 /nfs/dbraw/zinc/71/45/76/1119714576.db2.gz VJBWGWWUGLQVRA-YNEHKIRRSA-N 0 1 294.464 3.920 20 0 CHADMN C[C@@H](NCc1c(C2CCC2)cnn1C)c1ccsc1 ZINC000658269613 1119715844 /nfs/dbraw/zinc/71/58/44/1119715844.db2.gz WTAUPBYOOKQJGC-LLVKDONJSA-N 0 1 275.421 3.600 20 0 CHADMN CC(C)[C@H](O)[C@@H](N[C@@H](C)c1ccoc1)c1ccccc1 ZINC000658288689 1119718778 /nfs/dbraw/zinc/71/87/78/1119718778.db2.gz QTQJQHCEVDBBSU-JQFCIGGWSA-N 0 1 273.376 3.688 20 0 CHADMN C[C@H](NCc1cc(F)ccc1OC(F)F)c1ccncc1 ZINC000658326522 1119725079 /nfs/dbraw/zinc/72/50/79/1119725079.db2.gz CYVHCSCRPRKAMB-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2c(C)cccc21)c1nccn1C ZINC000658338546 1119727298 /nfs/dbraw/zinc/72/72/98/1119727298.db2.gz LKKHIYZHCOUMEY-SJORKVTESA-N 0 1 283.419 3.847 20 0 CHADMN CC(C)(C)C(F)(F)CNC1CCC2(CCOCC2)CC1 ZINC000658337785 1119727522 /nfs/dbraw/zinc/72/75/22/1119727522.db2.gz XCKZKDXCSRGXLV-UHFFFAOYSA-N 0 1 289.410 3.997 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H](c1ccccc1)[C@H](C)O ZINC000658358996 1119730594 /nfs/dbraw/zinc/73/05/94/1119730594.db2.gz CKPOTKFGYXLLKJ-SLEUVZQESA-N 0 1 291.416 3.529 20 0 CHADMN COc1cccc(CN[C@H](C)c2cnn(C(C)C)c2)c1C ZINC000658354318 1119730702 /nfs/dbraw/zinc/73/07/02/1119730702.db2.gz VAZHLCXUDCUYRC-CQSZACIVSA-N 0 1 287.407 3.632 20 0 CHADMN C[C@@H](O)[C@@H](N[C@@H](C)c1ccsc1)c1ccccc1 ZINC000658361229 1119731610 /nfs/dbraw/zinc/73/16/10/1119731610.db2.gz LDQDQEGSUWDRMU-YWPYICTPSA-N 0 1 261.390 3.521 20 0 CHADMN CCC[C@@H](NCc1ccc([C@H](C)O)cc1)c1ccccn1 ZINC000179463934 1119738764 /nfs/dbraw/zinc/73/87/64/1119738764.db2.gz RNGFSACHQMKMHG-WMLDXEAASA-N 0 1 284.403 3.766 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2cccc(Br)n2)C1 ZINC000310287169 1119738786 /nfs/dbraw/zinc/73/87/86/1119738786.db2.gz YABNHUQOIUEQGC-NSHDSACASA-N 0 1 297.240 3.712 20 0 CHADMN CCCCN[C@H](c1ccccn1)c1ccccc1OC ZINC000924530673 1119740856 /nfs/dbraw/zinc/74/08/56/1119740856.db2.gz FBZXDRHEXUTPDR-KRWDZBQOSA-N 0 1 270.376 3.569 20 0 CHADMN CCCCN(C(=O)CCc1cnc[nH]1)[C@@H]1CCC[C@H](C)C1 ZINC000359272452 1119747710 /nfs/dbraw/zinc/74/77/10/1119747710.db2.gz ZDBKMKFJSBURBF-GOEBONIOSA-N 0 1 291.439 3.550 20 0 CHADMN Cc1cc(CNCc2cccc(Br)c2)sn1 ZINC000404439952 1119753773 /nfs/dbraw/zinc/75/37/73/1119753773.db2.gz GHBDTEXENMSSLX-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN Cc1ccc2nc(SCCOC3CCC3)[nH]c2c1 ZINC000343811939 1119756529 /nfs/dbraw/zinc/75/65/29/1119756529.db2.gz JCWILOXIHAMHNX-UHFFFAOYSA-N 0 1 262.378 3.533 20 0 CHADMN Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000375843737 1119768055 /nfs/dbraw/zinc/76/80/55/1119768055.db2.gz BKWDZNOTZKNTST-MJEQTWJJSA-N 0 1 299.418 3.782 20 0 CHADMN CC1(C)SC[C@H]1N[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000375847723 1119768798 /nfs/dbraw/zinc/76/87/98/1119768798.db2.gz BKFJKJXADXVCRZ-CHWSQXEVSA-N 0 1 279.453 3.515 20 0 CHADMN c1ccc(CCCCNCc2nnc(C3CC3)s2)cc1 ZINC000892481564 1119769159 /nfs/dbraw/zinc/76/91/59/1119769159.db2.gz NUYSSZVIUKRCLP-UHFFFAOYSA-N 0 1 287.432 3.528 20 0 CHADMN C[C@@]1(C2CCCCC2)CCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000641238177 1119769572 /nfs/dbraw/zinc/76/95/72/1119769572.db2.gz RBWVRFAOEKVRFZ-HNNXBMFYSA-N 0 1 297.349 3.532 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CNCc1ccc(F)c(C)c1 ZINC000892486090 1119775629 /nfs/dbraw/zinc/77/56/29/1119775629.db2.gz RGGRJKSCZGJYDS-UHFFFAOYSA-N 0 1 289.398 3.818 20 0 CHADMN Cc1ccc(OC(F)F)c(CN[C@H](C)c2cccnc2)c1 ZINC000151637317 1119776898 /nfs/dbraw/zinc/77/68/98/1119776898.db2.gz GGDWEQPWQHBHAG-GFCCVEGCSA-N 0 1 292.329 3.842 20 0 CHADMN CCCC1CCN(Cc2cccc(Cl)n2)CC1 ZINC000092366517 1119789452 /nfs/dbraw/zinc/78/94/52/1119789452.db2.gz PHAJBGIIJVOJCS-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN CC(C)CN(C)Cn1cc(-c2ccccc2)n(C)c1=S ZINC000065943601 1119791457 /nfs/dbraw/zinc/79/14/57/1119791457.db2.gz KHZVEZWYWZSDEY-UHFFFAOYSA-N 0 1 289.448 3.768 20 0 CHADMN Cc1c[nH]c(CN2CCC[C@@](C)(c3ccccc3)CC2)n1 ZINC000628271726 1119797328 /nfs/dbraw/zinc/79/73/28/1119797328.db2.gz OFZXFKJRANACAR-GOSISDBHSA-N 0 1 283.419 3.662 20 0 CHADMN CC[C@H]1CCCC[C@@H]1CNCc1nccc(C(F)F)n1 ZINC000628281908 1119802256 /nfs/dbraw/zinc/80/22/56/1119802256.db2.gz FRHXUKUWFORGJW-NWDGAFQWSA-N 0 1 283.366 3.720 20 0 CHADMN C/C(=C/c1ccccc1)CNCc1cn2ccccc2n1 ZINC000236705888 1119802645 /nfs/dbraw/zinc/80/26/45/1119802645.db2.gz GTCYSNCEKQOWLM-PTNGSMBKSA-N 0 1 277.371 3.527 20 0 CHADMN CC[C@H](C(=O)NOC1CCCCC1)c1ccc(F)cc1 ZINC000779316429 1128870109 /nfs/dbraw/zinc/87/01/09/1128870109.db2.gz CZUXCESBAZLXKK-HNNXBMFYSA-N 0 1 279.355 3.700 20 0 CHADMN C[C@@H](N[C@@H]1C=CCC1)c1cc(-c2ccccc2)no1 ZINC000926689559 1119812570 /nfs/dbraw/zinc/81/25/70/1119812570.db2.gz KBLJVXILPGGSTH-TZMCWYRMSA-N 0 1 254.333 3.711 20 0 CHADMN O=C(NOC1CCCCC1)[C@H]1CCSc2ccccc21 ZINC000779317191 1128870882 /nfs/dbraw/zinc/87/08/82/1128870882.db2.gz LWXAVVINMFNQNW-AWEZNQCLSA-N 0 1 291.416 3.647 20 0 CHADMN COc1ccnc([C@H](C)NCc2cc(C)cc(C)c2)c1 ZINC000926696934 1119821853 /nfs/dbraw/zinc/82/18/53/1119821853.db2.gz VKZHDPLQUQCCEB-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN C[C@H](NCc1cccs1)c1cnn(C2CCC2)c1 ZINC000924556854 1119824209 /nfs/dbraw/zinc/82/42/09/1119824209.db2.gz HXLXMCQRXOYEGJ-NSHDSACASA-N 0 1 261.394 3.520 20 0 CHADMN Cc1ncsc1CN[C@H]1CCc2c1cc(F)cc2F ZINC000154662240 1119827314 /nfs/dbraw/zinc/82/73/14/1119827314.db2.gz BXPFEWPQMKZONH-ZDUSSCGKSA-N 0 1 280.343 3.507 20 0 CHADMN CO[C@](C)(CN[C@@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000291268879 1119831648 /nfs/dbraw/zinc/83/16/48/1119831648.db2.gz QODCPZMBBOAGCD-RBUKOAKNSA-N 0 1 296.414 3.576 20 0 CHADMN COc1ccc([C@@H](NCc2ccc(C)cn2)C2CC2)cc1 ZINC000133694114 1119845709 /nfs/dbraw/zinc/84/57/09/1119845709.db2.gz TVNZVCVVEZMFOV-SFHVURJKSA-N 0 1 282.387 3.640 20 0 CHADMN Clc1cccc(-c2noc([C@@H]3CCCCCN3)n2)c1 ZINC000080988940 1119846847 /nfs/dbraw/zinc/84/68/47/1119846847.db2.gz LJWHSPVOHXCJDJ-LBPRGKRZSA-N 0 1 277.755 3.595 20 0 CHADMN CC=C(C)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000177722282 1119848391 /nfs/dbraw/zinc/84/83/91/1119848391.db2.gz GWTIHXSVSPVZKB-UXBLZVDNSA-N 0 1 271.364 3.765 20 0 CHADMN CC(C)(C)CCNCc1csc(C(F)(F)F)n1 ZINC000892522388 1119865910 /nfs/dbraw/zinc/86/59/10/1119865910.db2.gz ZKOKHEMXPPUAHT-UHFFFAOYSA-N 0 1 266.332 3.688 20 0 CHADMN Cc1c[nH]nc1CN1CCC(c2cccc(Cl)c2)CC1 ZINC000685846027 1119866203 /nfs/dbraw/zinc/86/62/03/1119866203.db2.gz UXNDVSWQGACMEX-UHFFFAOYSA-N 0 1 289.810 3.751 20 0 CHADMN C[C@H](N[C@H](c1ccccc1)C(C)(C)C)c1ccn(C)n1 ZINC000414054380 1119869891 /nfs/dbraw/zinc/86/98/91/1119869891.db2.gz BKVZYPDSKHEUBZ-XJKSGUPXSA-N 0 1 271.408 3.858 20 0 CHADMN C[C@@H]1C[N@@H+](C/C=C/c2ccc(F)c(F)c2)CCC1(F)F ZINC000685849307 1119871652 /nfs/dbraw/zinc/87/16/52/1119871652.db2.gz PAWAULQEIMXCSS-KXMPLOMGSA-N 0 1 287.300 3.955 20 0 CHADMN C[C@@H]1CN(C/C=C/c2ccc(F)c(F)c2)CCC1(F)F ZINC000685849307 1119871655 /nfs/dbraw/zinc/87/16/55/1119871655.db2.gz PAWAULQEIMXCSS-KXMPLOMGSA-N 0 1 287.300 3.955 20 0 CHADMN COc1cccc(CN2CC3(CCC3)[C@H]2C2CC2)c1F ZINC000685850066 1119872640 /nfs/dbraw/zinc/87/26/40/1119872640.db2.gz SWHRGOHFCCZFOE-MRXNPFEDSA-N 0 1 275.367 3.599 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cc2n(n1)CCC2)c1cccs1 ZINC000414070435 1119879512 /nfs/dbraw/zinc/87/95/12/1119879512.db2.gz LFHOCHHJVYXJNR-WCQYABFASA-N 0 1 275.421 3.693 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H]1CCCC2(CC2)C1 ZINC000613196112 1119883061 /nfs/dbraw/zinc/88/30/61/1119883061.db2.gz BPSPTLYBUFTBBJ-VIFPVBQESA-N 0 1 283.322 3.565 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000613196184 1119883561 /nfs/dbraw/zinc/88/35/61/1119883561.db2.gz CFOXFVBOSUJAAQ-NXEZZACHSA-N 0 1 297.349 3.811 20 0 CHADMN C[C@@H](N[C@H](c1ccc(F)cc1)C(C)(C)C)c1ccn(C)n1 ZINC000414081013 1119887480 /nfs/dbraw/zinc/88/74/80/1119887480.db2.gz UDARUZOBLRSIGR-MLGOLLRUSA-N 0 1 289.398 3.997 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@H](C)c1cccc(O)c1)CCO2 ZINC000282165727 1119893606 /nfs/dbraw/zinc/89/36/06/1119893606.db2.gz DPGSTSUZRZUQKA-PXAZEXFGSA-N 0 1 299.370 3.575 20 0 CHADMN Cc1cccc(C)c1[C@@H](C)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414125671 1119909099 /nfs/dbraw/zinc/90/90/99/1119909099.db2.gz CYGJOVFSVMOCGK-LSDHHAIUSA-N 0 1 283.419 3.858 20 0 CHADMN CO[C@H](C)[C@@H](C)N[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414137715 1119913681 /nfs/dbraw/zinc/91/36/81/1119913681.db2.gz GGRWSVFAFUTUOO-FRRDWIJNSA-N 0 1 290.432 3.884 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CCCOC(C)C)[C@H](C)CO1 ZINC000173828584 1119917221 /nfs/dbraw/zinc/91/72/21/1119917221.db2.gz PMJLIYIQRHQMEK-AEFFLSMTSA-N 0 1 291.435 3.572 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1C2CCC1CC2 ZINC000613403643 1119917377 /nfs/dbraw/zinc/91/73/77/1119917377.db2.gz WWBGSBKQQFFZQG-LMWSTFAQSA-N 0 1 292.810 3.602 20 0 CHADMN CCCCc1noc(CN2CC[C@H](C)[C@@H]3CCCC[C@@H]32)n1 ZINC000613415291 1119918714 /nfs/dbraw/zinc/91/87/14/1119918714.db2.gz CWSCSMUVEOVEQS-KKUMJFAQSA-N 0 1 291.439 3.813 20 0 CHADMN C[C@@H]1CCN(Cc2nc(C(C)(C)C)no2)[C@@H]2CCCC[C@@H]12 ZINC000613416031 1119919043 /nfs/dbraw/zinc/91/90/43/1119919043.db2.gz PNKCZNJMTPWYOV-HZSPNIEDSA-N 0 1 291.439 3.768 20 0 CHADMN CC[C@H](C)[C@@H](CN[C@H](C)c1c(F)cccc1OC)OC ZINC000381338162 1128877965 /nfs/dbraw/zinc/87/79/65/1128877965.db2.gz AXVPCBBTLMOXIR-YWPYICTPSA-N 0 1 283.387 3.546 20 0 CHADMN CC(C)[C@H]1C[C@H](N[C@@H](C)c2ccn(C)n2)c2ccccc21 ZINC000414170169 1119925256 /nfs/dbraw/zinc/92/52/56/1119925256.db2.gz BURFZWHPPRDONE-XCRHUMRWSA-N 0 1 283.419 3.955 20 0 CHADMN CC(=O)Nc1ccc([C@H](C)NCc2ccc(C)c(C)n2)cc1 ZINC000414174948 1119927138 /nfs/dbraw/zinc/92/71/38/1119927138.db2.gz YOKDBGVAPMDOEI-AWEZNQCLSA-N 0 1 297.402 3.508 20 0 CHADMN CN(CCCCc1ccccc1)Cc1cn2ccccc2n1 ZINC000613456909 1119928808 /nfs/dbraw/zinc/92/88/08/1119928808.db2.gz YOGVJUUTXMIAOQ-UHFFFAOYSA-N 0 1 293.414 3.789 20 0 CHADMN COCCC1CCN(Cc2cscc2Cl)CC1 ZINC000628384150 1119936594 /nfs/dbraw/zinc/93/65/94/1119936594.db2.gz SLNVLHRGECQHJW-UHFFFAOYSA-N 0 1 273.829 3.650 20 0 CHADMN COCC[C@@H](C)CN[C@H](CCc1ccccc1)C(F)F ZINC000414203114 1119936919 /nfs/dbraw/zinc/93/69/19/1119936919.db2.gz NFSOLWSZPWBYNP-UKRRQHHQSA-N 0 1 285.378 3.515 20 0 CHADMN c1c[nH]c([C@@H](NC[C@@H]2CCC[C@@H]2C2CC2)c2ccccc2)n1 ZINC000414206391 1119939611 /nfs/dbraw/zinc/93/96/11/1119939611.db2.gz YLHGHCMHNOBHAQ-KSZLIROESA-N 0 1 295.430 3.915 20 0 CHADMN CC[C@@H](NCc1cnc(F)c(C)c1)c1ccccc1OC ZINC000892560246 1119942052 /nfs/dbraw/zinc/94/20/52/1119942052.db2.gz FFTNBEAMERHKLN-OAHLLOKOSA-N 0 1 288.366 3.779 20 0 CHADMN C[C@@H](NCc1cnccc1C(C)(C)C)c1ccccn1 ZINC000414227510 1119947807 /nfs/dbraw/zinc/94/78/07/1119947807.db2.gz KUAJOUVYAFBSBT-CYBMUJFWSA-N 0 1 269.392 3.625 20 0 CHADMN CC[C@H](C)C[C@H](CC)NCc1nccc(C(F)(F)F)n1 ZINC000414256655 1119958109 /nfs/dbraw/zinc/95/81/09/1119958109.db2.gz NZGVFUFUCSKXGB-QWRGUYRKSA-N 0 1 289.345 3.800 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000079417932 1119962902 /nfs/dbraw/zinc/96/29/02/1119962902.db2.gz VBSBIJFRUNCOHY-ZDUSSCGKSA-N 0 1 293.382 3.782 20 0 CHADMN COc1cc(F)c([C@@H](C)N[C@@H]2CCCC[C@H]2F)cc1OC ZINC000414286591 1119966458 /nfs/dbraw/zinc/96/64/58/1119966458.db2.gz NFLLSLFMOMEGJX-MPKXVKKWSA-N 0 1 299.361 3.774 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCNc2ccccc2C1 ZINC000685903780 1119973103 /nfs/dbraw/zinc/97/31/03/1119973103.db2.gz GVLXHHMYKGAECI-UHFFFAOYSA-N 0 1 293.345 3.806 20 0 CHADMN CCn1ccnc1NCc1ccc(F)c(Cl)c1Cl ZINC000414305662 1119973791 /nfs/dbraw/zinc/97/37/91/1119973791.db2.gz RZJIRWZEJJUWBE-UHFFFAOYSA-N 0 1 288.153 3.961 20 0 CHADMN Fc1ccc([C@@H]2CCN(Cc3ccc(Cl)nc3)C2)cc1 ZINC000755993143 1119975403 /nfs/dbraw/zinc/97/54/03/1119975403.db2.gz BOUPIFGTQSAUIN-CQSZACIVSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1cc(CNCc2ccoc2)ccc1C(F)(F)F ZINC000414311527 1119976602 /nfs/dbraw/zinc/97/66/02/1119976602.db2.gz ISXKCQUHEOAUJT-UHFFFAOYSA-N 0 1 269.266 3.897 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2NCCCOC1CCCCC1 ZINC000924579399 1119986844 /nfs/dbraw/zinc/98/68/44/1119986844.db2.gz CCSVJJUPMCBQNH-HNNXBMFYSA-N 0 1 292.423 3.689 20 0 CHADMN COc1ccc(CN2CCC(C)CC2)c(C(F)(F)F)c1 ZINC001143472615 1119994574 /nfs/dbraw/zinc/99/45/74/1119994574.db2.gz RUONSUTTYJWLHW-UHFFFAOYSA-N 0 1 287.325 3.946 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2ccc(C)cc2)o1 ZINC000892633223 1119997323 /nfs/dbraw/zinc/99/73/23/1119997323.db2.gz ZYLCSBIHMRZGJE-CYBMUJFWSA-N 0 1 259.349 3.838 20 0 CHADMN COc1cccc([C@H](C)NCc2cc(O)cc(Cl)c2)c1 ZINC000892633763 1119998301 /nfs/dbraw/zinc/99/83/01/1119998301.db2.gz IUGKYJFPIUQLMQ-NSHDSACASA-N 0 1 291.778 3.905 20 0 CHADMN CCc1ncc(CN2CCCCC[C@@H]2c2ccncc2)cn1 ZINC000414370505 1120001957 /nfs/dbraw/zinc/00/19/57/1120001957.db2.gz WNFQOZOIMSPRHO-QGZVFWFLSA-N 0 1 296.418 3.551 20 0 CHADMN Cc1nccc(N2CCC(c3ccccn3)CC2)c1Cl ZINC000684889508 1120017661 /nfs/dbraw/zinc/01/76/61/1120017661.db2.gz DBAWTRHXPMMPCK-UHFFFAOYSA-N 0 1 287.794 3.822 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C[C@@H]3C=CCCC3)ccc12 ZINC000187492178 1120023978 /nfs/dbraw/zinc/02/39/78/1120023978.db2.gz DMUVQAGHWKFHLG-GFCCVEGCSA-N 0 1 269.348 3.556 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(C)s2)o1 ZINC000892669321 1120034922 /nfs/dbraw/zinc/03/49/22/1120034922.db2.gz QWPUJWDZTUKFPG-JTQLQIEISA-N 0 1 251.351 3.509 20 0 CHADMN Cc1oc(C(C)(C)C)cc1CNCc1ccccc1CO ZINC000892672276 1120037378 /nfs/dbraw/zinc/03/73/78/1120037378.db2.gz JDDRUXKQOVTEPT-UHFFFAOYSA-N 0 1 287.403 3.668 20 0 CHADMN FC1(F)CCCN(Cc2cnc(C3CC3)s2)CC1 ZINC000628422179 1120037704 /nfs/dbraw/zinc/03/77/04/1120037704.db2.gz QQNXDOXPWJLBSI-UHFFFAOYSA-N 0 1 272.364 3.642 20 0 CHADMN C[C@@H](NCCOCC1CCC1)c1nc2ccccc2s1 ZINC000765812730 1120051783 /nfs/dbraw/zinc/05/17/83/1120051783.db2.gz XSLWLWRZLRTCJA-GFCCVEGCSA-N 0 1 290.432 3.764 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccccc3C(F)(F)F)c2c1 ZINC000094660727 1120053532 /nfs/dbraw/zinc/05/35/32/1120053532.db2.gz VKZPLMKJGHWAEV-UHFFFAOYSA-N 0 1 291.276 3.935 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccccc3OC(F)F)c2c1 ZINC000094660750 1120053913 /nfs/dbraw/zinc/05/39/13/1120053913.db2.gz OKEQMONTCQDQLG-UHFFFAOYSA-N 0 1 289.285 3.518 20 0 CHADMN Cc1ccc2nc(N)n(-c3cc(C)ccc3C)c2c1 ZINC000094660666 1120054128 /nfs/dbraw/zinc/05/41/28/1120054128.db2.gz UGQWTHJVTZPROM-UHFFFAOYSA-N 0 1 251.333 3.533 20 0 CHADMN COCC1(CN2CCCn3c(cc4ccccc43)C2)CCC1 ZINC000361390467 1120055957 /nfs/dbraw/zinc/05/59/57/1120055957.db2.gz MHPQSMQDVKBWMO-UHFFFAOYSA-N 0 1 298.430 3.664 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](C(C)C)c3ccccc32)c1C ZINC000628907800 1128887052 /nfs/dbraw/zinc/88/70/52/1128887052.db2.gz VMQJEVOGQFJTNR-HOTGVXAUSA-N 0 1 297.402 3.641 20 0 CHADMN COc1cccc(CCN2CCC[C@@H]2c2nccs2)c1 ZINC001207431410 1120067025 /nfs/dbraw/zinc/06/70/25/1120067025.db2.gz QSBIAPKNNWFFEC-OAHLLOKOSA-N 0 1 288.416 3.531 20 0 CHADMN C[C@H](NCc1nc(C(C)(C)C)co1)C(C)(C)C(F)F ZINC000903312928 1120081763 /nfs/dbraw/zinc/08/17/63/1120081763.db2.gz CZWXDUDJBSHBQQ-VIFPVBQESA-N 0 1 274.355 3.742 20 0 CHADMN O=C1[C@@H]2CCCCCC2=NN1c1cccc(C(F)(F)F)c1 ZINC000105668859 1120084663 /nfs/dbraw/zinc/08/46/63/1120084663.db2.gz XYOBNDJFQAKEQD-GFCCVEGCSA-N 0 1 296.292 3.988 20 0 CHADMN O=c1c2c([nH]n1-c1cccc(C(F)(F)F)c1)CCCCC2 ZINC000105668859 1120084668 /nfs/dbraw/zinc/08/46/68/1120084668.db2.gz XYOBNDJFQAKEQD-GFCCVEGCSA-N 0 1 296.292 3.988 20 0 CHADMN CN(C(=O)c1[nH]nc2ccccc21)C(C)(C)c1ccccc1 ZINC000671893507 1120087004 /nfs/dbraw/zinc/08/70/04/1120087004.db2.gz INXYWCFVIQHCPR-UHFFFAOYSA-N 0 1 293.370 3.570 20 0 CHADMN CC(C)[C@H](N[C@H](C)c1cnnn1C)c1ccc(Cl)cc1 ZINC000924593651 1120088327 /nfs/dbraw/zinc/08/83/27/1120088327.db2.gz XMHDPOABGLQFQB-ABAIWWIYSA-N 0 1 292.814 3.516 20 0 CHADMN COC[C@@]1(C)CN([C@H](C)c2ccc3ccccc3c2)CCO1 ZINC000626173628 1120091741 /nfs/dbraw/zinc/09/17/41/1120091741.db2.gz ZEOLYBKIUIAPSM-DNVCBOLYSA-N 0 1 299.414 3.638 20 0 CHADMN COC[C@]1(C)CN([C@H](C)c2ccc3ccccc3c2)CCO1 ZINC000626173627 1120092382 /nfs/dbraw/zinc/09/23/82/1120092382.db2.gz ZEOLYBKIUIAPSM-BEFAXECRSA-N 0 1 299.414 3.638 20 0 CHADMN CCC[C@H]1CCCCN1Cc1cnc(Cl)s1 ZINC000179510313 1120094578 /nfs/dbraw/zinc/09/45/78/1120094578.db2.gz WHOGFOZHNUSSNM-JTQLQIEISA-N 0 1 258.818 3.951 20 0 CHADMN COC[C@H](N[C@@H](C)c1sc(C)nc1C)c1ccccc1 ZINC000180842071 1120100417 /nfs/dbraw/zinc/10/04/17/1120100417.db2.gz YOWUYXCFTRINRT-WFASDCNBSA-N 0 1 290.432 3.798 20 0 CHADMN Cc1ncc([C@H](C)N(Cc2ccco2)C(C)C)c(C)n1 ZINC000637894804 1129234674 /nfs/dbraw/zinc/23/46/74/1129234674.db2.gz IQCOOQZPCAJYJY-ZDUSSCGKSA-N 0 1 273.380 3.658 20 0 CHADMN Cc1nccc(N2CCC3(CCC3)CC2)c1Cl ZINC000672329861 1120104597 /nfs/dbraw/zinc/10/45/97/1120104597.db2.gz AXKGVKRCJRJOSQ-UHFFFAOYSA-N 0 1 250.773 3.814 20 0 CHADMN O=C(/C=C/C1CCCCC1)Nc1ccc2nc[nH]c2c1 ZINC000253463446 1120107672 /nfs/dbraw/zinc/10/76/72/1120107672.db2.gz ONRWTPRJSAJILN-RMKNXTFCSA-N 0 1 269.348 3.638 20 0 CHADMN CCC[C@@H](NCc1cccc2[nH]c(=O)oc21)c1ccccn1 ZINC000921683693 1120107996 /nfs/dbraw/zinc/10/79/96/1120107996.db2.gz KUVKKOIDOKAAAJ-CYBMUJFWSA-N 0 1 297.358 3.559 20 0 CHADMN CCC[C@@H](NCc1cccc2c1OCC2)c1ccccn1 ZINC000921683228 1120108256 /nfs/dbraw/zinc/10/82/56/1120108256.db2.gz GGRRVNYFTCYPHI-MRXNPFEDSA-N 0 1 282.387 3.648 20 0 CHADMN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CCC1CCC1 ZINC000659793361 1120110930 /nfs/dbraw/zinc/11/09/30/1120110930.db2.gz RPOJXPKJAJBZIJ-HZPDHXFCSA-N 0 1 279.424 3.532 20 0 CHADMN Cc1cccc([C@H](C)[N@H+]2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)c1 ZINC000659799897 1120113494 /nfs/dbraw/zinc/11/34/94/1120113494.db2.gz PGEREXGGLLPFMU-ZVZYQTTQSA-N 0 1 287.403 3.633 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000659802248 1120113599 /nfs/dbraw/zinc/11/35/99/1120113599.db2.gz PRCIDMYNEYIKDC-CYBMUJFWSA-N 0 1 293.432 3.767 20 0 CHADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000659801163 1120113674 /nfs/dbraw/zinc/11/36/74/1120113674.db2.gz DXLMJXSKJLGRFZ-WBVHZDCISA-N 0 1 287.403 3.633 20 0 CHADMN CCc1noc([C@@H](C)Sc2nc3ccc(C)cc3[nH]2)n1 ZINC000042650923 1120114827 /nfs/dbraw/zinc/11/48/27/1120114827.db2.gz FLZINOQVILZOEG-SECBINFHSA-N 0 1 288.376 3.670 20 0 CHADMN CCN(Cc1cccs1)Cc1cnc2ccccc2n1 ZINC000659816151 1120116218 /nfs/dbraw/zinc/11/62/18/1120116218.db2.gz AHYFGOQKSIACIQ-UHFFFAOYSA-N 0 1 283.400 3.713 20 0 CHADMN CCCN(Cc1cc(OC)ns1)Cc1ccccc1 ZINC000659813925 1120116230 /nfs/dbraw/zinc/11/62/30/1120116230.db2.gz YYEQKWYXYGUYHC-UHFFFAOYSA-N 0 1 276.405 3.564 20 0 CHADMN COc1cc(CN[C@@H](c2ccc(Cl)cc2)C(C)C)on1 ZINC000659826729 1120119949 /nfs/dbraw/zinc/11/99/49/1120119949.db2.gz MPMCHZMCKZBZLP-OAHLLOKOSA-N 0 1 294.782 3.824 20 0 CHADMN C[C@@H](N[C@@H]1CC1(C)C)c1nc(C(F)(F)F)cs1 ZINC000343839382 1120120715 /nfs/dbraw/zinc/12/07/15/1120120715.db2.gz MWBJOVJCQLIAKT-RNFRBKRXSA-N 0 1 264.316 3.611 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2ccc(Cl)s2)C[C@@H]1O ZINC000542705780 1120122882 /nfs/dbraw/zinc/12/28/82/1120122882.db2.gz GHZJDVVIEBBJKY-NEPJUHHUSA-N 0 1 287.856 3.630 20 0 CHADMN Cc1ccc(C2CC(N[C@@H](C)c3ccon3)C2)cc1 ZINC000542709657 1120123608 /nfs/dbraw/zinc/12/36/08/1120123608.db2.gz AQLFPZARHXCMGR-GRTSSRMGSA-N 0 1 256.349 3.580 20 0 CHADMN CC(C)C[C@H](N[C@H](C)c1ncc[nH]1)c1cccs1 ZINC000353392313 1120128316 /nfs/dbraw/zinc/12/83/16/1120128316.db2.gz FQQODHQTCMAIIC-NEPJUHHUSA-N 0 1 263.410 3.909 20 0 CHADMN CO[C@H](CN[C@@H](C)c1c(F)cccc1Cl)C1CC1 ZINC000378804856 1120132835 /nfs/dbraw/zinc/13/28/35/1120132835.db2.gz VZOPRAHEWSLSTM-TVQRCGJNSA-N 0 1 271.763 3.555 20 0 CHADMN CCOc1ccc(F)c(F)c1CN1C[C@@H]2CCCC[C@H]2C1 ZINC001143486713 1120134984 /nfs/dbraw/zinc/13/49/84/1120134984.db2.gz HIKQNVKBQVKHNK-STQMWFEESA-N 0 1 295.373 3.986 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226419591 1120141629 /nfs/dbraw/zinc/14/16/29/1120141629.db2.gz YPUOIYDNIMNRQK-SWLSCSKDSA-N 0 1 295.810 3.978 20 0 CHADMN CCCCc1noc(CN[C@H]2CCCC[C@H]2C(C)C)n1 ZINC000460345455 1120145795 /nfs/dbraw/zinc/14/57/95/1120145795.db2.gz GVIWAKSUMJUINR-KBPBESRZSA-N 0 1 279.428 3.717 20 0 CHADMN CCCSC[C@@H](C)NCc1nc(C)c2ccccc2n1 ZINC000892806016 1120145892 /nfs/dbraw/zinc/14/58/92/1120145892.db2.gz VZBZAKCMZRBDBU-GFCCVEGCSA-N 0 1 289.448 3.560 20 0 CHADMN C[C@@H](NCc1ccc(N(C)C)nc1)c1ccccc1Cl ZINC000112524495 1120146678 /nfs/dbraw/zinc/14/66/78/1120146678.db2.gz LRHXTYZAMZOTMD-GFCCVEGCSA-N 0 1 289.810 3.652 20 0 CHADMN COc1ccccc1C(C)(C)NCc1cnc(F)cc1C ZINC000892876035 1120154610 /nfs/dbraw/zinc/15/46/10/1120154610.db2.gz NFTKOLRMYIIDOC-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN Cc1c(Cl)cc(NC(=O)C(F)(F)F)c(O)c1Cl ZINC000169004282 1128894571 /nfs/dbraw/zinc/89/45/71/1128894571.db2.gz JWBINVALJDXXQZ-UHFFFAOYSA-N 0 1 288.052 3.508 20 0 CHADMN Cc1nc(C)c([C@H](C)NCc2ccc(C)c(C)n2)s1 ZINC000313874989 1120155133 /nfs/dbraw/zinc/15/51/33/1120155133.db2.gz BBVYTCNUYXGQNK-NSHDSACASA-N 0 1 275.421 3.623 20 0 CHADMN Fc1ccc([C@H](NCc2nccn2C2CC2)C2CCC2)cc1 ZINC000892903389 1120158070 /nfs/dbraw/zinc/15/80/70/1120158070.db2.gz PSSWAABJKPYZPL-GOSISDBHSA-N 0 1 299.393 3.988 20 0 CHADMN CC(C)C1CCC(C[N@H+]2CC[C@@](C(=O)[O-])(C(C)C)C2)CC1 ZINC000314021093 1120163939 /nfs/dbraw/zinc/16/39/39/1120163939.db2.gz RRKBBIUIFOISSE-HTWSVDAQSA-N 0 1 295.467 3.882 20 0 CHADMN Cc1cc(C)cc(C2=CC[N@@H+](Cc3ccc(CO)o3)CC2)c1 ZINC000542810688 1120165432 /nfs/dbraw/zinc/16/54/32/1120165432.db2.gz KILQHZYBSDLOJV-UHFFFAOYSA-N 0 1 297.398 3.678 20 0 CHADMN Cc1cc(C)cc(C2=CCN(Cc3ccc(CO)o3)CC2)c1 ZINC000542810688 1120165437 /nfs/dbraw/zinc/16/54/37/1120165437.db2.gz KILQHZYBSDLOJV-UHFFFAOYSA-N 0 1 297.398 3.678 20 0 CHADMN CCc1ccc(C2=CCN(Cc3ccc(CO)o3)CC2)cc1 ZINC000542810636 1120166590 /nfs/dbraw/zinc/16/65/90/1120166590.db2.gz WKMAYLOFYXTFJM-UHFFFAOYSA-N 0 1 297.398 3.624 20 0 CHADMN CC(C)C[C@H](NCc1nnc2ccccn21)c1ccccc1 ZINC000314144478 1120172577 /nfs/dbraw/zinc/17/25/77/1120172577.db2.gz ULWKKAAWROFYNU-INIZCTEOSA-N 0 1 294.402 3.606 20 0 CHADMN CCn1c(CNCc2cc(C)cs2)nc2ccccc21 ZINC000379016075 1120172975 /nfs/dbraw/zinc/17/29/75/1120172975.db2.gz ACELSNXGJNIQHJ-UHFFFAOYSA-N 0 1 285.416 3.716 20 0 CHADMN CN(Cc1ccc(-c2ccccn2)s1)Cc1cccnc1 ZINC001140999251 1120173197 /nfs/dbraw/zinc/17/31/97/1120173197.db2.gz QKLZVCFRVMTILR-UHFFFAOYSA-N 0 1 295.411 3.837 20 0 CHADMN Cc1c2nc[nH]c2ccc1N[C@@H]1CCCc2cccnc21 ZINC001168654836 1120175057 /nfs/dbraw/zinc/17/50/57/1120175057.db2.gz GZEHERYAPFPWHZ-OAHLLOKOSA-N 0 1 278.359 3.756 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)CCO[C@@H]1CC1(F)F ZINC000659847787 1120180386 /nfs/dbraw/zinc/18/03/86/1120180386.db2.gz RKFCPPHKEMMITD-GXFFZTMASA-N 0 1 289.753 3.757 20 0 CHADMN c1oc2ccccc2c1CNCc1nccc2c1CCCC2 ZINC000921741134 1120187618 /nfs/dbraw/zinc/18/76/18/1120187618.db2.gz SAZPCRATRNTVDF-UHFFFAOYSA-N 0 1 292.382 3.996 20 0 CHADMN CCc1nc(SCc2nc3cc(C)ccc3s2)n[nH]1 ZINC000629111802 1128897334 /nfs/dbraw/zinc/89/73/34/1128897334.db2.gz PKIICRYRKFJJGC-UHFFFAOYSA-N 0 1 290.417 3.578 20 0 CHADMN CCc1n[nH]c(SCc2nc3cc(C)ccc3s2)n1 ZINC000629111802 1128897338 /nfs/dbraw/zinc/89/73/38/1128897338.db2.gz PKIICRYRKFJJGC-UHFFFAOYSA-N 0 1 290.417 3.578 20 0 CHADMN Cc1ccc(C[C@@H](C)NCc2nnc(C3CC3)s2)s1 ZINC000893004998 1120194951 /nfs/dbraw/zinc/19/49/51/1120194951.db2.gz OERWSXQBQDOWBZ-SECBINFHSA-N 0 1 293.461 3.506 20 0 CHADMN Cc1cc2nccn2cc1N[C@H]1CCCc2cccnc21 ZINC001168661040 1120195216 /nfs/dbraw/zinc/19/52/16/1120195216.db2.gz JQWHRKAOVIDRKE-AWEZNQCLSA-N 0 1 278.359 3.527 20 0 CHADMN CCC(C)(C)CCN1CCO[C@H](c2cccs2)C1 ZINC000472826510 1120197578 /nfs/dbraw/zinc/19/75/78/1120197578.db2.gz PRAAIOCCCFTCII-ZDUSSCGKSA-N 0 1 267.438 3.948 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccccc2)c1F ZINC000165779118 1120198949 /nfs/dbraw/zinc/19/89/49/1120198949.db2.gz DVVRQUOHVOLLAS-GFCCVEGCSA-N 0 1 259.324 3.685 20 0 CHADMN CC(C)O[C@H](CN1CC2(C1)CC(F)(F)C2)c1ccccc1 ZINC000644679992 1120200561 /nfs/dbraw/zinc/20/05/61/1120200561.db2.gz HAGBHLUVYUBMCI-OAHLLOKOSA-N 0 1 295.373 3.884 20 0 CHADMN CCCCc1noc(CN([C@@H](C)[C@H](C)CC)C2CC2)n1 ZINC000060562623 1120202456 /nfs/dbraw/zinc/20/24/56/1120202456.db2.gz MMYDCSHJXCWZQN-OLZOCXBDSA-N 0 1 279.428 3.811 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccc(C)cc2)c1F ZINC000165828799 1120204509 /nfs/dbraw/zinc/20/45/09/1120204509.db2.gz ISKVYILNEGEGKP-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CCC([C@H](C)O)CC1 ZINC000304344499 1120205391 /nfs/dbraw/zinc/20/53/91/1120205391.db2.gz XPEGMCHEZNRIQX-ZBEGNZNMSA-N 0 1 283.362 3.509 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cccc2[nH]ccc21 ZINC000073007181 1120206281 /nfs/dbraw/zinc/20/62/81/1120206281.db2.gz IXPMOONKWFDPBH-JTQLQIEISA-N 0 1 269.348 3.624 20 0 CHADMN Cc1cc(CNCc2nccc3c2CCCC3)c(C)s1 ZINC000921775866 1120208643 /nfs/dbraw/zinc/20/86/43/1120208643.db2.gz KUTZYCCIVYSOEQ-UHFFFAOYSA-N 0 1 286.444 3.929 20 0 CHADMN CCOc1ccc(F)c(F)c1CN1CC[C@@H](CC)C1 ZINC001143499286 1120211980 /nfs/dbraw/zinc/21/19/80/1120211980.db2.gz MHJUEDFNFSEHQG-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN Cc1ncsc1CCN1CCc2c(Cl)cccc2C1 ZINC000172638723 1120212209 /nfs/dbraw/zinc/21/22/09/1120212209.db2.gz YOABAISNAXFVAU-UHFFFAOYSA-N 0 1 292.835 3.706 20 0 CHADMN Cc1ccc(CC[C@@H](C)NCc2nnc(C(C)C)s2)o1 ZINC000893077742 1120215939 /nfs/dbraw/zinc/21/59/39/1120215939.db2.gz KLHZCQXACNFBFE-LLVKDONJSA-N 0 1 293.436 3.674 20 0 CHADMN CCOC(=O)CCCN(C)[C@H](C)c1ccccc1Cl ZINC000338731678 1120220306 /nfs/dbraw/zinc/22/03/06/1120220306.db2.gz DMEUHHGJNDIGMH-GFCCVEGCSA-N 0 1 283.799 3.676 20 0 CHADMN COCc1ccc(CN2CCC[C@H]2c2cccs2)o1 ZINC000271040560 1120227657 /nfs/dbraw/zinc/22/76/57/1120227657.db2.gz NWKXKWNAGWZUGM-AWEZNQCLSA-N 0 1 277.389 3.825 20 0 CHADMN Cn1nc(CN[C@@H]2CCCc3ccccc32)c2ccccc21 ZINC000388177890 1120228859 /nfs/dbraw/zinc/22/88/59/1120228859.db2.gz XNMCFMHQCYHTPI-QGZVFWFLSA-N 0 1 291.398 3.741 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccnn2C2CCC2)cc1F ZINC000921832118 1120232974 /nfs/dbraw/zinc/23/29/74/1120232974.db2.gz FWXMELUBKZKFLJ-ZDUSSCGKSA-N 0 1 287.382 3.906 20 0 CHADMN C/C=C(/C)C(=O)Nc1ccc2nc(CCCC)[nH]c2c1 ZINC000751119171 1120234446 /nfs/dbraw/zinc/23/44/46/1120234446.db2.gz CPDUGZYBQDSESZ-WZUFQYTHSA-N 0 1 271.364 3.810 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CC[C@H](C2CCCCC2)C1 ZINC000618183053 1128900869 /nfs/dbraw/zinc/90/08/69/1128900869.db2.gz UBESRQGTKXNAGI-HNNXBMFYSA-N 0 1 297.402 3.605 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2cc3cc(Cl)ccc3[nH]2)n1 ZINC000843147638 1120235432 /nfs/dbraw/zinc/23/54/32/1120235432.db2.gz DFBFQLMVCWTOTB-LBPRGKRZSA-N 0 1 290.754 3.527 20 0 CHADMN CC(C)Sc1ccc(-c2nc([C@H](N)C(C)C)no2)cc1 ZINC000843148899 1120246194 /nfs/dbraw/zinc/24/61/94/1120246194.db2.gz YWDUYJFAHXHLAX-CYBMUJFWSA-N 0 1 291.420 3.893 20 0 CHADMN CC(C)[C@@H](Cc1nc([C@@H](N)C(C)C)no1)c1ccccc1 ZINC000843148873 1120249129 /nfs/dbraw/zinc/24/91/29/1120249129.db2.gz FAZHNNQISDNZPN-ZBFHGGJFSA-N 0 1 287.407 3.708 20 0 CHADMN CC(C)[C@@H](c1nc([C@@H](N)C(C)C)no1)c1ccccc1 ZINC000843148165 1120250958 /nfs/dbraw/zinc/25/09/58/1120250958.db2.gz NRANKJCLGJYSHO-KGLIPLIRSA-N 0 1 273.380 3.513 20 0 CHADMN C/C(=C/c1ccc(C)cc1)c1nc([C@@H](N)C(C)C)no1 ZINC000843149959 1120251769 /nfs/dbraw/zinc/25/17/69/1120251769.db2.gz QWFZPYIAVGMTHS-UQTJOTSZSA-N 0 1 271.364 3.594 20 0 CHADMN Cc1ccccc1Cc1noc(CN2CCCC[C@H](C)C2)n1 ZINC000187934225 1120252005 /nfs/dbraw/zinc/25/20/05/1120252005.db2.gz DJKMBQKMCVWKMP-AWEZNQCLSA-N 0 1 299.418 3.591 20 0 CHADMN O=C1[C@H]2CCCCCC2=NN1c1ccccc1Cl ZINC000103465651 1120252742 /nfs/dbraw/zinc/25/27/42/1120252742.db2.gz ASQHDXCPHAGMIG-JTQLQIEISA-N 0 1 262.740 3.623 20 0 CHADMN O=c1c2c([nH]n1-c1ccccc1Cl)CCCCC2 ZINC000103465651 1120252746 /nfs/dbraw/zinc/25/27/46/1120252746.db2.gz ASQHDXCPHAGMIG-JTQLQIEISA-N 0 1 262.740 3.623 20 0 CHADMN CC[C@H](Sc1ccccc1)c1nc([C@@H](N)C(C)C)no1 ZINC000843151262 1120256988 /nfs/dbraw/zinc/25/69/88/1120256988.db2.gz DVPWFBUPQTUUDU-STQMWFEESA-N 0 1 291.420 3.969 20 0 CHADMN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1cn[nH]c1 ZINC000085825865 1120258799 /nfs/dbraw/zinc/25/87/99/1120258799.db2.gz FRBHXAOFXFHWFQ-JTQLQIEISA-N 0 1 283.297 3.622 20 0 CHADMN Cc1nc(C)c(CN[C@@H](c2ccc(F)cc2)C(C)C)o1 ZINC000685566676 1120261680 /nfs/dbraw/zinc/26/16/80/1120261680.db2.gz VBCBCCOPPSDSEU-MRXNPFEDSA-N 0 1 276.355 3.917 20 0 CHADMN Cc1ccc2nc(SCC(=O)CC(C)(C)C)[nH]c2c1 ZINC000553706667 1128903120 /nfs/dbraw/zinc/90/31/20/1128903120.db2.gz RVYWGOPQDJTXAC-UHFFFAOYSA-N 0 1 276.405 3.969 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000172732920 1120264308 /nfs/dbraw/zinc/26/43/08/1120264308.db2.gz YTYPWAIZFWHFJQ-SNVBAGLBSA-N 0 1 278.343 3.534 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1C[C@@H](C)C[C@H](C)C1 ZINC000007811597 1120270443 /nfs/dbraw/zinc/27/04/43/1120270443.db2.gz WDJGQTYZLYKJFA-GJZGRUSLSA-N 0 1 288.435 3.726 20 0 CHADMN CC[C@H](C)C[C@H](C)Nc1c[nH]c2ncc(C(=O)OC)c-2c1 ZINC001168693395 1120271206 /nfs/dbraw/zinc/27/12/06/1120271206.db2.gz LXCRDFSHACWZJL-QWRGUYRKSA-N 0 1 289.379 3.586 20 0 CHADMN CC(=O)[C@H](N[C@H]1Cc2cccc(Cl)c2C1)c1ccccc1 ZINC001168693514 1120271246 /nfs/dbraw/zinc/27/12/46/1120271246.db2.gz SFVVOTGSFWCDQW-YJBOKZPZSA-N 0 1 299.801 3.727 20 0 CHADMN COc1cccc2c1CCN([C@H](C)c1ccc(F)cc1)C2 ZINC000542944016 1120272119 /nfs/dbraw/zinc/27/21/19/1120272119.db2.gz WTGSRZNVKJHDOF-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN FC(F)(F)c1ccc([C@H]2CN(CCC3CC3)CCO2)cc1 ZINC000542946856 1120274584 /nfs/dbraw/zinc/27/45/84/1120274584.db2.gz ARIYLKWSBXVKIM-OAHLLOKOSA-N 0 1 299.336 3.879 20 0 CHADMN C(=C\[C@@H]1CCCCC[N@@H+]1Cc1cncnc1)\c1ccccc1 ZINC000355082354 1120276169 /nfs/dbraw/zinc/27/61/69/1120276169.db2.gz GKXQHPTTYTYVLL-GDWUOILNSA-N 0 1 293.414 3.935 20 0 CHADMN CC[N@@H+](CCc1nccs1)Cc1cccc(Cl)c1[O-] ZINC000180539740 1120277670 /nfs/dbraw/zinc/27/76/70/1120277670.db2.gz NHMGDWPKSYCPDA-UHFFFAOYSA-N 0 1 296.823 3.567 20 0 CHADMN COC1(c2noc(-c3cc(Cl)ccc3O)n2)CCCC1 ZINC000228233177 1120286818 /nfs/dbraw/zinc/28/68/18/1120286818.db2.gz BCLQEWGJQNSMER-UHFFFAOYSA-N 0 1 294.738 3.511 20 0 CHADMN C[N@@H+](CCc1ccc(Cl)cc1)Cc1cc(C2CC2)no1 ZINC000659929693 1120291932 /nfs/dbraw/zinc/29/19/32/1120291932.db2.gz UFKQJXOOHYXFMQ-UHFFFAOYSA-N 0 1 290.794 3.880 20 0 CHADMN CN(CCc1ccc(Cl)cc1)Cc1cc(C2CC2)no1 ZINC000659929693 1120291935 /nfs/dbraw/zinc/29/19/35/1120291935.db2.gz UFKQJXOOHYXFMQ-UHFFFAOYSA-N 0 1 290.794 3.880 20 0 CHADMN CC[C@H](NCc1ccc(OC)cc1C)c1c(C)noc1C ZINC000921936663 1120292940 /nfs/dbraw/zinc/29/29/40/1120292940.db2.gz RIOHZZUFPXRQGO-INIZCTEOSA-N 0 1 288.391 3.849 20 0 CHADMN Cc1ncc(CN(C)CCSc2ccccc2F)s1 ZINC000076744700 1120295552 /nfs/dbraw/zinc/29/55/52/1120295552.db2.gz RRFHRLJHYBPWGW-UHFFFAOYSA-N 0 1 296.436 3.815 20 0 CHADMN CC(C)CCN(C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000076794588 1120296236 /nfs/dbraw/zinc/29/62/36/1120296236.db2.gz LEJJYANMJIXZBW-UHFFFAOYSA-N 0 1 293.798 3.868 20 0 CHADMN CC(C)(C)c1coc(CN[C@@H]2CCO[C@H](C(C)(C)C)C2)n1 ZINC000921944990 1120298092 /nfs/dbraw/zinc/29/80/92/1120298092.db2.gz LUNFHHZWBSGAFD-OCCSQVGLSA-N 0 1 294.439 3.655 20 0 CHADMN COc1cccc(CN(C[C@@H](C)OC)C(C)C)c1Cl ZINC000659948880 1120301896 /nfs/dbraw/zinc/30/18/96/1120301896.db2.gz RQFKFVKUIOZNRQ-GFCCVEGCSA-N 0 1 285.815 3.594 20 0 CHADMN CN(C(=O)c1cccc2c[nH]nc21)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416285086 1120304781 /nfs/dbraw/zinc/30/47/81/1120304781.db2.gz BMVYFWNKQADLOF-GJZGRUSLSA-N 0 1 299.418 3.850 20 0 CHADMN Cc1cc(CN(Cc2ccc(C)c(C)c2)C2CC2)nc(C)n1 ZINC000659948267 1120304863 /nfs/dbraw/zinc/30/48/63/1120304863.db2.gz PCRKFNLQSXCKSL-UHFFFAOYSA-N 0 1 295.430 3.875 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(-c2cccc3[nH]ccc32)no1 ZINC000843180046 1120310400 /nfs/dbraw/zinc/31/04/00/1120310400.db2.gz HDRPLJSYKPEUQK-CQSZACIVSA-N 0 1 298.390 3.915 20 0 CHADMN C[C@@H](NCc1ccc(Cl)cn1)c1ccc2c(c1)CCO2 ZINC000182125301 1120314630 /nfs/dbraw/zinc/31/46/30/1120314630.db2.gz GWAYEWGPOAEEDV-LLVKDONJSA-N 0 1 288.778 3.521 20 0 CHADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cccc2ccccc21 ZINC000389378600 1120316342 /nfs/dbraw/zinc/31/63/42/1120316342.db2.gz CJLVUQFAPQOIRC-NXHRZFHOSA-N 0 1 295.382 3.525 20 0 CHADMN CCC[C@@H](C)CCC[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C ZINC000629362547 1128907814 /nfs/dbraw/zinc/90/78/14/1128907814.db2.gz VIFFGFDTNDXOOW-LXTVHRRPSA-N 0 1 269.429 3.776 20 0 CHADMN CCCN[C@@H](C)c1nc(-c2cccc(OCCC)c2)no1 ZINC000843182645 1120319856 /nfs/dbraw/zinc/31/98/56/1120319856.db2.gz NSIWAQAYWBVGQZ-LBPRGKRZSA-N 0 1 289.379 3.586 20 0 CHADMN CCc1ccc(CN2CC(Cc3cccs3)C2)o1 ZINC000628478798 1120321039 /nfs/dbraw/zinc/32/10/39/1120321039.db2.gz PSRRWOSZVQAOMC-UHFFFAOYSA-N 0 1 261.390 3.578 20 0 CHADMN CCCN[C@H](C)c1nc(-c2ccc(CSC)cc2)no1 ZINC000843184733 1120322478 /nfs/dbraw/zinc/32/24/78/1120322478.db2.gz VBFVAWYTDYWJNR-LLVKDONJSA-N 0 1 291.420 3.660 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000629365450 1128908021 /nfs/dbraw/zinc/90/80/21/1128908021.db2.gz WJVNQKBYNFWWQJ-LSDHHAIUSA-N 0 1 269.429 3.922 20 0 CHADMN CCc1cnc(CN(C)CCCC2CCC2)s1 ZINC000659982193 1120323768 /nfs/dbraw/zinc/32/37/68/1120323768.db2.gz HJDBHFPGRKPZFB-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN FC(F)c1ccc(CNCc2ccnn2C2CCC2)cc1 ZINC000922001051 1120325746 /nfs/dbraw/zinc/32/57/46/1120325746.db2.gz PAKXNDCBXVTIGL-UHFFFAOYSA-N 0 1 291.345 3.836 20 0 CHADMN c1cc(CN[C@@H]2CCCc3sccc32)n(C2CCC2)n1 ZINC000922005109 1120328136 /nfs/dbraw/zinc/32/81/36/1120328136.db2.gz YNMAADCADYZOTC-OAHLLOKOSA-N 0 1 287.432 3.837 20 0 CHADMN FC(F)c1ccc(CN2CC3(CC(F)C3)C2)cc1 ZINC000656695809 1120328864 /nfs/dbraw/zinc/32/88/64/1120328864.db2.gz SSNDWXDVOBMRQR-UHFFFAOYSA-N 0 1 255.283 3.558 20 0 CHADMN C[C@H](N(C)Cc1nsc2ccccc21)C1(C)CC1 ZINC000659994134 1120331481 /nfs/dbraw/zinc/33/14/81/1120331481.db2.gz PYBOKMCOLHTJAO-NSHDSACASA-N 0 1 260.406 3.917 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000629376098 1128908735 /nfs/dbraw/zinc/90/87/35/1128908735.db2.gz RKENFBVKIWYBBJ-PYLYLYNFSA-N 0 1 273.376 3.563 20 0 CHADMN Fc1cccc(CN2C[C@@H]3CCC[C@@H]3C2)c1OC(F)F ZINC000659998148 1120332971 /nfs/dbraw/zinc/33/29/71/1120332971.db2.gz NKHVKJLKIIFNJD-PHIMTYICSA-N 0 1 285.309 3.659 20 0 CHADMN CN(CCC1CCOCC1)Cc1nsc2ccccc21 ZINC000660000264 1120333601 /nfs/dbraw/zinc/33/36/01/1120333601.db2.gz RQSQWVRCZBXAMZ-UHFFFAOYSA-N 0 1 290.432 3.545 20 0 CHADMN c1cc([C@@H]2CN(C[C@@H]3CC[C@H]4C[C@H]4C3)CCO2)cs1 ZINC000660001085 1120334982 /nfs/dbraw/zinc/33/49/82/1120334982.db2.gz LUJYIKFPJMEBAU-CLWVCHIJSA-N 0 1 277.433 3.558 20 0 CHADMN C[C@@H](N[C@@H]1CCCC1(F)F)C1CCC(F)(F)CC1 ZINC000672622487 1120335331 /nfs/dbraw/zinc/33/53/31/1120335331.db2.gz ZDMTURKANVFWDF-MWLCHTKSSA-N 0 1 267.310 3.978 20 0 CHADMN CC[C@H](CC(F)F)CN1CCO[C@@](C)(c2ccccc2)C1 ZINC000660001682 1120335335 /nfs/dbraw/zinc/33/53/35/1120335335.db2.gz CFLQIEFVYADPEW-RHSMWYFYSA-N 0 1 297.389 3.915 20 0 CHADMN C/C=C/C[C@H]1CCC[N@@H+](CCc2ccccc2C(=O)[O-])C1 ZINC000629375311 1128909123 /nfs/dbraw/zinc/90/91/23/1128909123.db2.gz CVYYFCIALRLRKQ-FAAWYNLUSA-N 0 1 287.403 3.606 20 0 CHADMN COc1cc(CN2CCC[C@@H]2c2cc(C)ccc2C)on1 ZINC000660005507 1120337406 /nfs/dbraw/zinc/33/74/06/1120337406.db2.gz KBMANDINJGJOKA-MRXNPFEDSA-N 0 1 286.375 3.637 20 0 CHADMN O=C([O-])c1ccc(Cl)c(C[N@H+]2CCCC3(CC3)CC2)c1 ZINC000629377160 1128909357 /nfs/dbraw/zinc/90/93/57/1128909357.db2.gz FWUHKVIZEFIDAY-UHFFFAOYSA-N 0 1 293.794 3.804 20 0 CHADMN C[N@@H+](Cc1c(C(=O)[O-])sc2cccc(F)c21)C(C)(C)C ZINC000382293141 1128909884 /nfs/dbraw/zinc/90/98/84/1128909884.db2.gz QFTHLSIWVZSKBA-UHFFFAOYSA-N 0 1 295.379 3.969 20 0 CHADMN C[C@H](O)C[C@@H]1CCCCN1Cc1cccc(Cl)c1F ZINC000228437956 1120346098 /nfs/dbraw/zinc/34/60/98/1120346098.db2.gz JBNAPQHMOBUBEK-AAEUAGOBSA-N 0 1 285.790 3.605 20 0 CHADMN c1nn(CC2CCC2)cc1CNCc1ccc(C2CC2)cc1 ZINC000922050482 1120348444 /nfs/dbraw/zinc/34/84/44/1120348444.db2.gz YKDYPGSTIMDXTI-UHFFFAOYSA-N 0 1 295.430 3.850 20 0 CHADMN CCCn1cc(CN[C@@H](C)c2cc3ccccc3o2)cn1 ZINC000116912462 1120348828 /nfs/dbraw/zinc/34/88/28/1120348828.db2.gz UYYFRCXKWKTMDT-ZDUSSCGKSA-N 0 1 283.375 3.890 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000191227028 1128910159 /nfs/dbraw/zinc/91/01/59/1128910159.db2.gz ZRLZVYAQKBCITL-SECBINFHSA-N 0 1 283.730 3.971 20 0 CHADMN CCc1nc(S[C@@H](CC)c2ccc(F)cc2F)n[nH]1 ZINC000077927810 1120357263 /nfs/dbraw/zinc/35/72/63/1120357263.db2.gz WKMSNOBULXLEGG-NSHDSACASA-N 0 1 283.347 3.889 20 0 CHADMN CCc1n[nH]c(S[C@@H](CC)c2ccc(F)cc2F)n1 ZINC000077927810 1120357265 /nfs/dbraw/zinc/35/72/65/1120357265.db2.gz WKMSNOBULXLEGG-NSHDSACASA-N 0 1 283.347 3.889 20 0 CHADMN CCCN(CCc1cccs1)Cc1ncc(Cl)n1C ZINC000184505556 1120357365 /nfs/dbraw/zinc/35/73/65/1120357365.db2.gz ZXULBCDIQMIGNG-UHFFFAOYSA-N 0 1 297.855 3.590 20 0 CHADMN CC1(C)CN(Cc2sc3ccccc3c2Cl)C[C@@H]1O ZINC000388074211 1120363720 /nfs/dbraw/zinc/36/37/20/1120363720.db2.gz QYZQIDZIOMHHQY-ZDUSSCGKSA-N 0 1 295.835 3.757 20 0 CHADMN CCc1cccc(OCCN[C@@H](CC)c2nccs2)c1 ZINC000185062153 1120369630 /nfs/dbraw/zinc/36/96/30/1120369630.db2.gz HAJBGNYXLDBZAB-HNNXBMFYSA-N 0 1 290.432 3.825 20 0 CHADMN CC[C@@H](O)[C@H]1CCCC[N@H+]1CCc1c(F)cccc1Cl ZINC000511582476 1120370059 /nfs/dbraw/zinc/37/00/59/1120370059.db2.gz TTXOMTQDIAFZKV-HZPDHXFCSA-N 0 1 299.817 3.647 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N(C1CC1)C1CCCCC1 ZINC000066321066 1120383987 /nfs/dbraw/zinc/38/39/87/1120383987.db2.gz FDEMYVMWKAKCCP-UHFFFAOYSA-N 0 1 283.375 3.500 20 0 CHADMN CC(C)c1cccc(CN(C)Cc2cccnc2)c1 ZINC000660124908 1120388497 /nfs/dbraw/zinc/38/84/97/1120388497.db2.gz DRHYVQVPGYLLOC-UHFFFAOYSA-N 0 1 254.377 3.837 20 0 CHADMN Fc1cccc2c1CCC[C@H]2NCc1ccnn1C1CCC1 ZINC000922151042 1120389389 /nfs/dbraw/zinc/38/93/89/1120389389.db2.gz YANABJBFPABFPT-GOSISDBHSA-N 0 1 299.393 3.914 20 0 CHADMN Fc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)c(F)c1Cl ZINC001143615509 1120392420 /nfs/dbraw/zinc/39/24/20/1120392420.db2.gz DQDWKEWNFMEYTO-AOOOYVTPSA-N 0 1 271.738 3.850 20 0 CHADMN COc1cccc(SCCN2CC3(C2)CC(F)(F)C3)c1 ZINC000660147059 1120398259 /nfs/dbraw/zinc/39/82/59/1120398259.db2.gz LDXOGKLRKTTXKM-UHFFFAOYSA-N 0 1 299.386 3.518 20 0 CHADMN Fc1cccc(CN2CC[C@@H](C3CC3)C2)c1OC(F)F ZINC000660152887 1120400989 /nfs/dbraw/zinc/40/09/89/1120400989.db2.gz CCVWRRMOCJBEKG-LLVKDONJSA-N 0 1 285.309 3.659 20 0 CHADMN FC(F)CN[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000681411313 1120401959 /nfs/dbraw/zinc/40/19/59/1120401959.db2.gz SPDSGQQOBLIREE-ZIAGYGMSSA-N 0 1 253.336 3.643 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 ZINC000066696604 1120404805 /nfs/dbraw/zinc/40/48/05/1120404805.db2.gz KUQDZYWSPYCXRH-OAHLLOKOSA-N 0 1 284.378 3.709 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCC2(CC2(F)F)CC1 ZINC000651424100 1120408832 /nfs/dbraw/zinc/40/88/32/1120408832.db2.gz DMAQAUPTUDUOJY-UHFFFAOYSA-N 0 1 292.304 4.000 20 0 CHADMN Cc1cc(CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)no1 ZINC000613734589 1120412000 /nfs/dbraw/zinc/41/20/00/1120412000.db2.gz PQPIIPHKAGDLNW-OAHLLOKOSA-N 0 1 295.386 3.844 20 0 CHADMN C[C@H]1CCC[C@@H](NCc2nccc(C(F)(F)F)n2)CC1 ZINC000641763252 1120425927 /nfs/dbraw/zinc/42/59/27/1120425927.db2.gz WUPJQZCOAGITOS-WDEREUQCSA-N 0 1 287.329 3.554 20 0 CHADMN Cc1nnc([C@H](C)N[C@@H](C)[C@@H]2C[C@H]2c2cccs2)s1 ZINC000417348171 1120430914 /nfs/dbraw/zinc/43/09/14/1120430914.db2.gz XQPKFCORVVYVRJ-FSZOTQKASA-N 0 1 293.461 3.751 20 0 CHADMN c1ccc2c(c1)COC[C@@H]2N[C@H]1CCCOc2ccccc21 ZINC000417358009 1120435777 /nfs/dbraw/zinc/43/57/77/1120435777.db2.gz HAEBBZLQMONPHA-ROUUACIJSA-N 0 1 295.382 3.761 20 0 CHADMN CC(C)(C)c1noc(CN2CCC[C@@H]2C2CCCC2)n1 ZINC000079393824 1120436840 /nfs/dbraw/zinc/43/68/40/1120436840.db2.gz UIFLEQTXTBGMLY-CYBMUJFWSA-N 0 1 277.412 3.522 20 0 CHADMN Fc1cncc([C@@H](N[C@@H]2COCc3ccccc32)C2CC2)c1 ZINC000417364542 1120437753 /nfs/dbraw/zinc/43/77/53/1120437753.db2.gz MXTFXGLXNYEPII-MSOLQXFVSA-N 0 1 298.361 3.533 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1nc(C(C)(C)C)no1 ZINC000115555212 1120440853 /nfs/dbraw/zinc/44/08/53/1120440853.db2.gz QVEAGTAUGICJDF-DZGCQCFKSA-N 0 1 299.418 3.745 20 0 CHADMN Cc1ccsc1C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000511623747 1120442331 /nfs/dbraw/zinc/44/23/31/1120442331.db2.gz AUGMDBIEEOVSDR-INIZCTEOSA-N 0 1 287.428 3.802 20 0 CHADMN Cc1ccc2nc(SCCOC3CCCC3)[nH]c2c1 ZINC000431944915 1120444702 /nfs/dbraw/zinc/44/47/02/1120444702.db2.gz ZQASHUIRZVIKAV-UHFFFAOYSA-N 0 1 276.405 3.923 20 0 CHADMN CS[C@@H]1CCCC[N@H+]([C@@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000584785550 1120447364 /nfs/dbraw/zinc/44/73/64/1120447364.db2.gz LUQWVMULUUUNRX-CMPLNLGQSA-N 0 1 297.420 3.565 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2cc(C(C)C)[nH]n2)c1 ZINC000079950467 1120451574 /nfs/dbraw/zinc/45/15/74/1120451574.db2.gz YJBUFIXPXHCCEC-CQSZACIVSA-N 0 1 299.418 3.983 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N(C)C[C@@H]1CC=CCC1 ZINC000543173747 1120453225 /nfs/dbraw/zinc/45/32/25/1120453225.db2.gz ZNNQQGFYYHIXKN-QWHCGFSZSA-N 0 1 277.412 3.716 20 0 CHADMN C[N@H+](Cc1cn2cc(Cl)ccc2n1)C[C@H]1CC=CCC1 ZINC000543181026 1120454232 /nfs/dbraw/zinc/45/42/32/1120454232.db2.gz HTLHLDOPPSBNGW-ZDUSSCGKSA-N 0 1 289.810 3.776 20 0 CHADMN COC[C@@H]1CCCCN([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000364145579 1120456492 /nfs/dbraw/zinc/45/64/92/1120456492.db2.gz DQCACJRTXLSBEX-ZIAGYGMSSA-N 0 1 294.439 3.782 20 0 CHADMN Cc1cc(CN2CCC[C@H]2/C=C\c2ccccc2)nc(C)n1 ZINC000660235883 1120457440 /nfs/dbraw/zinc/45/74/40/1120457440.db2.gz SHYFCHMLSWSYRZ-GDWUOILNSA-N 0 1 293.414 3.771 20 0 CHADMN C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000389890195 1120457919 /nfs/dbraw/zinc/45/79/19/1120457919.db2.gz KAHUJVNKJVEABB-QWQRMKEZSA-N 0 1 297.398 3.943 20 0 CHADMN Cc1sccc1C[NH2+][C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000417572060 1120459154 /nfs/dbraw/zinc/45/91/54/1120459154.db2.gz YBFVWZBBQWZHNJ-OAHLLOKOSA-N 0 1 289.400 3.589 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cc2nnc(C3CC3)o2)CC1 ZINC000116309241 1120467509 /nfs/dbraw/zinc/46/75/09/1120467509.db2.gz ZGBOKNRUDXJQJR-CYBMUJFWSA-N 0 1 277.412 3.595 20 0 CHADMN CC(C)c1cc(C(=O)N2CCC[C@@H]2C2CCCCC2)n[nH]1 ZINC000080375865 1120467569 /nfs/dbraw/zinc/46/75/69/1120467569.db2.gz VXQXUMMWIHOOLK-MRXNPFEDSA-N 0 1 289.423 3.718 20 0 CHADMN Fc1ccc2c(c1)C[C@@H](NCc1ccsc1Cl)CO2 ZINC000584861471 1120469682 /nfs/dbraw/zinc/46/96/82/1120469682.db2.gz GUGREXUXXXZYFS-GFCCVEGCSA-N 0 1 297.782 3.634 20 0 CHADMN C[C@@H]1CCN(C(=O)c2[nH]nc3ccccc32)[C@@H]2CCCC[C@@H]12 ZINC000315948683 1120472555 /nfs/dbraw/zinc/47/25/55/1120472555.db2.gz UQKRGPLKCRZSTR-DVOMOZLQSA-N 0 1 297.402 3.604 20 0 CHADMN CCOc1ccc(CNCc2ccoc2C)cc1OCC ZINC000068366299 1120473500 /nfs/dbraw/zinc/47/35/00/1120473500.db2.gz LAKBDDGQWMFDQT-UHFFFAOYSA-N 0 1 289.375 3.675 20 0 CHADMN COc1cccc(CN(C)Cc2cc(C)nc(Cl)c2)c1 ZINC000320894580 1120474826 /nfs/dbraw/zinc/47/48/26/1120474826.db2.gz NYUAOCBZHWIHKN-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN CCn1cncc1CN(C1CC1)[C@H]1CCCc2ccccc21 ZINC000417715647 1120477635 /nfs/dbraw/zinc/47/76/35/1120477635.db2.gz KMQXOZDCXYRENF-IBGZPJMESA-N 0 1 295.430 3.945 20 0 CHADMN CC1CCC(O)(CN[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000388296709 1120477823 /nfs/dbraw/zinc/47/78/23/1120477823.db2.gz UKLPENOZOQOFQE-ZCDLSOSASA-N 0 1 299.414 3.900 20 0 CHADMN c1cc(CNCc2ccc3occc3c2)n(C2CCC2)n1 ZINC000922239155 1120480605 /nfs/dbraw/zinc/48/06/05/1120480605.db2.gz CLONWRZTKJGCCL-UHFFFAOYSA-N 0 1 281.359 3.644 20 0 CHADMN CCn1cncc1CN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000417790339 1120481873 /nfs/dbraw/zinc/48/18/73/1120481873.db2.gz KQOXRUZBPIZYFP-SUMWQHHRSA-N 0 1 287.382 3.625 20 0 CHADMN COc1cccc(CN2CC[C@H](C)C(F)(F)CC2)c1F ZINC001141218369 1120481995 /nfs/dbraw/zinc/48/19/95/1120481995.db2.gz MNCIZTAPUZLZHU-NSHDSACASA-N 0 1 287.325 3.702 20 0 CHADMN c1coc([C@H]2N(CCc3ccns3)CC23CCCC3)c1 ZINC000930965643 1120491097 /nfs/dbraw/zinc/49/10/97/1120491097.db2.gz LLKFJOCFEWETNA-OAHLLOKOSA-N 0 1 288.416 3.896 20 0 CHADMN CC(C)(C)c1coc(CNCC[C@H]2CC2(Cl)Cl)n1 ZINC000922272208 1120493233 /nfs/dbraw/zinc/49/32/33/1120493233.db2.gz HNGXUQJSGATNRI-VIFPVBQESA-N 0 1 291.222 3.646 20 0 CHADMN CC[C@H]1CCCN(Cc2nc(Cc3ccccc3)no2)CC1 ZINC000117344597 1120497520 /nfs/dbraw/zinc/49/75/20/1120497520.db2.gz GVBNPIFTKYIPGH-HNNXBMFYSA-N 0 1 299.418 3.673 20 0 CHADMN COC(=O)c1coc([C@@H](C)N[C@H]2CCc3ccc(C)cc32)c1 ZINC000618571703 1128920431 /nfs/dbraw/zinc/92/04/31/1128920431.db2.gz NBMISYCZGGAUFV-WBMJQRKESA-N 0 1 299.370 3.713 20 0 CHADMN Cc1cc(CN2CCC(c3ccsc3)CC2)nc(C)n1 ZINC000660325286 1120504242 /nfs/dbraw/zinc/50/42/42/1120504242.db2.gz VADHEJKOFCUWOG-UHFFFAOYSA-N 0 1 287.432 3.535 20 0 CHADMN COC(=O)c1coc([C@H](C)N[C@@H]2CCc3ccc(C)cc32)c1 ZINC000618571700 1128920832 /nfs/dbraw/zinc/92/08/32/1128920832.db2.gz NBMISYCZGGAUFV-BLLLJJGKSA-N 0 1 299.370 3.713 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1cccc(Br)n1 ZINC000925643812 1120507351 /nfs/dbraw/zinc/50/73/51/1120507351.db2.gz IHUOYWLKTAJHIQ-VHSXEESVSA-N 0 1 294.196 3.584 20 0 CHADMN c1ccc2c(C[N@H+]3CC[C@H]4CCC[C@H]43)nsc2c1 ZINC000660332560 1120508901 /nfs/dbraw/zinc/50/89/01/1120508901.db2.gz RAJDJTBUVJDDOB-BXUZGUMPSA-N 0 1 258.390 3.671 20 0 CHADMN CC(C)(C)c1coc(CNc2ccc3c(n2)CCCC3)n1 ZINC000922329208 1120514571 /nfs/dbraw/zinc/51/45/71/1120514571.db2.gz VLBPBORJQBGNDW-UHFFFAOYSA-N 0 1 285.391 3.858 20 0 CHADMN Cc1nocc1CN[C@H](C)c1ccc(C2CC2)cc1 ZINC000418118597 1120520220 /nfs/dbraw/zinc/52/02/20/1120520220.db2.gz WGCVRYBKVMFIFK-LLVKDONJSA-N 0 1 256.349 3.711 20 0 CHADMN c1ccc2c(c1)COC[C@H]2NCc1ccc2c(c1)CCCC2 ZINC000418111913 1120520618 /nfs/dbraw/zinc/52/06/18/1120520618.db2.gz YJBOOYXHBGNXNS-HXUWFJFHSA-N 0 1 293.410 3.927 20 0 CHADMN CCC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)c2ccccc2)C1 ZINC000466487487 1120523648 /nfs/dbraw/zinc/52/36/48/1120523648.db2.gz CKCGAHTWUDHCQY-JKSUJKDBSA-N 0 1 288.435 3.550 20 0 CHADMN CC[C@@H](C)CN(CC)Cc1c(F)ccc(O)c1F ZINC000508960826 1120560711 /nfs/dbraw/zinc/56/07/11/1120560711.db2.gz BCGALQCGSVUCEO-SNVBAGLBSA-N 0 1 257.324 3.538 20 0 CHADMN COCc1ccccc1CNCc1ccc(C)cc1F ZINC000631043533 1120528574 /nfs/dbraw/zinc/52/85/74/1120528574.db2.gz RKBHWRPJBARSGL-UHFFFAOYSA-N 0 1 273.351 3.570 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc(C)c(C)o2)cc1 ZINC000282358384 1120532712 /nfs/dbraw/zinc/53/27/12/1120532712.db2.gz WBNWZNCEJINOQW-LBPRGKRZSA-N 0 1 259.349 3.756 20 0 CHADMN CC=Cc1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)cc1 ZINC000360325591 1120536081 /nfs/dbraw/zinc/53/60/81/1120536081.db2.gz PIAUYPYMNTWNKS-IHWYPQMZSA-N 0 1 295.317 3.987 20 0 CHADMN CC(C)OCCCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186529506 1120539376 /nfs/dbraw/zinc/53/93/76/1120539376.db2.gz ZHRRHFIQBKDBNZ-LBPRGKRZSA-N 0 1 285.815 3.901 20 0 CHADMN Fc1cccc(/C=C/CNCc2nc3c(s2)CCC3)c1 ZINC000922472116 1120542446 /nfs/dbraw/zinc/54/24/46/1120542446.db2.gz JHHGRCFKMCFLMI-HWKANZROSA-N 0 1 288.391 3.574 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc(F)ccc2F)cc1 ZINC000019909242 1120545111 /nfs/dbraw/zinc/54/51/11/1120545111.db2.gz QKWOMDTVFPAOFB-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN CC(C)(CCCc1ccccc1)CNCc1cocn1 ZINC000428875181 1120546820 /nfs/dbraw/zinc/54/68/20/1120546820.db2.gz DLENWABLRYYOSM-UHFFFAOYSA-N 0 1 272.392 3.813 20 0 CHADMN FC(F)c1ccc(CN[C@H](c2ccccn2)C2CC2)cn1 ZINC000922581620 1120555636 /nfs/dbraw/zinc/55/56/36/1120555636.db2.gz KEKLAGKUUOZCNE-HNNXBMFYSA-N 0 1 289.329 3.655 20 0 CHADMN Cn1cc(Nc2ccc3nccn3c2)c2ccccc21 ZINC001203415987 1120558162 /nfs/dbraw/zinc/55/81/62/1120558162.db2.gz REOWWXQBBFSPQG-UHFFFAOYSA-N 0 1 262.316 3.570 20 0 CHADMN C[C@@H](CCN[C@@H]1CCCC1(F)F)c1ccccc1 ZINC000398040710 1120559118 /nfs/dbraw/zinc/55/91/18/1120559118.db2.gz PBZJUULDFOLBPM-GXTWGEPZSA-N 0 1 253.336 3.958 20 0 CHADMN CC[C@@H](C)c1ccc([C@@H](C)NCc2cnnn2CC)cc1 ZINC000624025702 1120561939 /nfs/dbraw/zinc/56/19/39/1120561939.db2.gz JVCHLTISXLRZEX-ZIAGYGMSSA-N 0 1 286.423 3.662 20 0 CHADMN CCc1cccc(CNCc2cnc(C(C)(C)C)nc2)c1 ZINC000652032897 1120564735 /nfs/dbraw/zinc/56/47/35/1120564735.db2.gz KPYOFWKXNQRKGV-UHFFFAOYSA-N 0 1 283.419 3.626 20 0 CHADMN C/C=C/CO[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001205050010 1120570371 /nfs/dbraw/zinc/57/03/71/1120570371.db2.gz CEWLWVJGYQYKCJ-HSWBROFVSA-N 0 1 265.784 3.507 20 0 CHADMN CC(C)(/C=C/Cl)NCc1scnc1C1CC1 ZINC000922647400 1120570747 /nfs/dbraw/zinc/57/07/47/1120570747.db2.gz BGNKRWQZFCZGHI-AATRIKPKSA-N 0 1 256.802 3.641 20 0 CHADMN CC(C)(/C=C/Cl)NCc1cnc([C@H]2CCCO2)s1 ZINC000922647459 1120572074 /nfs/dbraw/zinc/57/20/74/1120572074.db2.gz CIBJFJLUFDRDNL-MVIFTORASA-N 0 1 286.828 3.615 20 0 CHADMN Cn1cnc(CN[C@H](CC2CCCC2)c2ccccc2)c1 ZINC000673605327 1120573136 /nfs/dbraw/zinc/57/31/36/1120573136.db2.gz PEUOHEUHNAXDGD-GOSISDBHSA-N 0 1 283.419 3.831 20 0 CHADMN Cc1cnccc1C[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000652060762 1120574119 /nfs/dbraw/zinc/57/41/19/1120574119.db2.gz GSHHFTVRHFNSNX-AWEZNQCLSA-N 0 1 284.378 3.691 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2ccc(OC)c(C)c2)s1 ZINC000922672076 1120574974 /nfs/dbraw/zinc/57/49/74/1120574974.db2.gz LCMIJIOFNPEKBP-LBPRGKRZSA-N 0 1 290.432 3.873 20 0 CHADMN Cc1cc(CN(C)[C@H](c2ccc(F)cc2)C(C)C)ncn1 ZINC000428947015 1120581371 /nfs/dbraw/zinc/58/13/71/1120581371.db2.gz MPFKJAUEZMZKIO-KRWDZBQOSA-N 0 1 287.382 3.753 20 0 CHADMN CCCC(C)(C)N(Cc1cccs1)Cc1n[nH]c(C)n1 ZINC000428945557 1120581803 /nfs/dbraw/zinc/58/18/03/1120581803.db2.gz ZGFULCNXQADLCX-UHFFFAOYSA-N 0 1 292.452 3.756 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)NCc2ccc(F)cc2)c1 ZINC000020090608 1120582763 /nfs/dbraw/zinc/58/27/63/1120582763.db2.gz HWHDNPYLIVDZHW-LBPRGKRZSA-N 0 1 286.350 3.635 20 0 CHADMN COc1cccc(CN2CCSCC[C@@H]2C)c1Cl ZINC000660401708 1120583345 /nfs/dbraw/zinc/58/33/45/1120583345.db2.gz WULQCNYGCSGCAI-NSHDSACASA-N 0 1 285.840 3.676 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@H](C)c1cccnc1 ZINC000020096776 1120584027 /nfs/dbraw/zinc/58/40/27/1120584027.db2.gz PCWWZILKUKXXTQ-CHWSQXEVSA-N 0 1 256.349 3.502 20 0 CHADMN COc1ccccc1[C@H](C)NCc1cccc(F)c1 ZINC000020096595 1120584285 /nfs/dbraw/zinc/58/42/85/1120584285.db2.gz CSYZJPSDVIEKQB-LBPRGKRZSA-N 0 1 259.324 3.685 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000020095310 1120584364 /nfs/dbraw/zinc/58/43/64/1120584364.db2.gz VMBAHMOXVURCPL-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@@H](C)c2ccccn2)cc1 ZINC000020123487 1120585278 /nfs/dbraw/zinc/58/52/78/1120585278.db2.gz HIULEHRKUKLODN-KGLIPLIRSA-N 0 1 270.376 3.892 20 0 CHADMN Cc1ccc(OC(F)F)c(CN2CCC=C(C)C2)c1 ZINC000428956943 1120587072 /nfs/dbraw/zinc/58/70/72/1120587072.db2.gz ZFTFKNUEOOIBKG-UHFFFAOYSA-N 0 1 267.319 3.748 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1cc(C)nc(C)n1 ZINC000660411764 1120587766 /nfs/dbraw/zinc/58/77/66/1120587766.db2.gz WWDQQLOHSHXPET-GXDHUFHOSA-N 0 1 281.403 3.629 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1cc(C)nc(C)n1 ZINC000660411765 1120588256 /nfs/dbraw/zinc/58/82/56/1120588256.db2.gz WWDQQLOHSHXPET-UVTDQMKNSA-N 0 1 281.403 3.629 20 0 CHADMN Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc(C2CC2)no1 ZINC000660425769 1120595789 /nfs/dbraw/zinc/59/57/89/1120595789.db2.gz ITXYEYDKAOPLNY-CQSZACIVSA-N 0 1 284.403 3.923 20 0 CHADMN c1csc([C@H]2CN(c3ccnc4ccccc43)CCO2)c1 ZINC000364425220 1120598829 /nfs/dbraw/zinc/59/88/29/1120598829.db2.gz GRFWHPZYCTVUBM-MRXNPFEDSA-N 0 1 296.395 3.874 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CCc2cccc(C)c2C1 ZINC000428987463 1120601338 /nfs/dbraw/zinc/60/13/38/1120601338.db2.gz WAVNPJVPLSUNJO-UHFFFAOYSA-N 0 1 284.403 3.973 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2ccc(CCC(C)C)cc2)[nH]1 ZINC001626085887 1120602382 /nfs/dbraw/zinc/60/23/82/1120602382.db2.gz OQUORJJLJGJQJC-UHFFFAOYSA-N 0 1 285.391 3.867 20 0 CHADMN CCc1nnc([C@H](C)N2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)[nH]1 ZINC000660430487 1120602617 /nfs/dbraw/zinc/60/26/17/1120602617.db2.gz ASZNXUKDUDMNNA-DZKIICNBSA-N 0 1 298.434 3.615 20 0 CHADMN CC(C)Nc1ccc(-c2ccc(CN(C)C)c(F)c2)cn1 ZINC000629709297 1128928508 /nfs/dbraw/zinc/92/85/08/1128928508.db2.gz SLWVIFBQGDMIMR-UHFFFAOYSA-N 0 1 287.382 3.770 20 0 CHADMN CCC1(NCc2ncsc2Br)CCCC1 ZINC000660671693 1120676989 /nfs/dbraw/zinc/67/69/89/1120676989.db2.gz QDUNBQVGRVJLMA-UHFFFAOYSA-N 0 1 289.242 3.718 20 0 CHADMN CCc1nnc([C@@H](C)[N@H+]2CC[C@@H](c3ccc(C)cc3C)C2)[nH]1 ZINC000660450060 1120619828 /nfs/dbraw/zinc/61/98/28/1120619828.db2.gz XEULWZIAXKCUND-HUUCEWRRSA-N 0 1 298.434 3.534 20 0 CHADMN CCc1nnc([C@@H](C)N2CC[C@@H](c3ccc(C)cc3C)C2)[nH]1 ZINC000660450060 1120619830 /nfs/dbraw/zinc/61/98/30/1120619830.db2.gz XEULWZIAXKCUND-HUUCEWRRSA-N 0 1 298.434 3.534 20 0 CHADMN COc1cccc(F)c1[C@H](C)Nc1ccnc(C)c1Cl ZINC000509065210 1120623440 /nfs/dbraw/zinc/62/34/40/1120623440.db2.gz FFPKQTCIUMCDQX-VIFPVBQESA-N 0 1 294.757 3.786 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(-c3ccncc3)cc2)[nH]n1 ZINC000673629650 1120624172 /nfs/dbraw/zinc/62/41/72/1120624172.db2.gz KOQZVLISFUVOPY-CQSZACIVSA-N 0 1 292.386 3.631 20 0 CHADMN COc1ccc([C@H](NCc2nccs2)C2CCC2)cc1 ZINC000922890599 1120642272 /nfs/dbraw/zinc/64/22/72/1120642272.db2.gz HCIMTALFAGVXRJ-MRXNPFEDSA-N 0 1 288.416 3.783 20 0 CHADMN CC[C@H](CC(F)F)CN1CCCC[C@H]1c1cc[nH]n1 ZINC000660536038 1120653322 /nfs/dbraw/zinc/65/33/22/1120653322.db2.gz NJPWYCJWGFNOKW-YPMHNXCESA-N 0 1 271.355 3.618 20 0 CHADMN CN(CCC1CC1)Cc1coc(-c2ccccc2F)n1 ZINC000625266328 1120658277 /nfs/dbraw/zinc/65/82/77/1120658277.db2.gz QUBSJUDZLOFNFT-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN CC[C@@H](c1cccc(OC)c1)N(C)Cc1cc(C)nc(C)n1 ZINC000660559409 1120658263 /nfs/dbraw/zinc/65/82/63/1120658263.db2.gz XYBDLVQQRRZGSI-SFHVURJKSA-N 0 1 299.418 3.685 20 0 CHADMN Cc1nc(CN(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c(C)o1 ZINC000660562954 1120658967 /nfs/dbraw/zinc/65/89/67/1120658967.db2.gz PIURJRIGRNPOQA-TXEJJXNPSA-N 0 1 290.329 3.844 20 0 CHADMN Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2O)cc1 ZINC000197815816 1120660199 /nfs/dbraw/zinc/66/01/99/1120660199.db2.gz VMCFHFQDOBVNMW-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN C[C@H]1CN(Cc2ccccc2)C[C@@H](c2ccccc2)O1 ZINC000511839405 1120660927 /nfs/dbraw/zinc/66/09/27/1120660927.db2.gz UVSHIEVTEPHMDC-YJBOKZPZSA-N 0 1 267.372 3.649 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1ccncc1Br ZINC000625285477 1120663622 /nfs/dbraw/zinc/66/36/22/1120663622.db2.gz VTKKIPRNQFXZPM-JQWIXIFHSA-N 0 1 283.213 3.607 20 0 CHADMN Cc1ccc(OC[C@@H](C)N[C@@H](C)c2nccs2)cc1 ZINC000086510194 1120668109 /nfs/dbraw/zinc/66/81/09/1120668109.db2.gz KEJUQNQWGQSCHX-OLZOCXBDSA-N 0 1 276.405 3.570 20 0 CHADMN Cc1ccc(-c2ccc(F)c(CN(C)C)c2)cc1O ZINC000629738581 1128931994 /nfs/dbraw/zinc/93/19/94/1128931994.db2.gz PLAYHNZZCLKYPP-UHFFFAOYSA-N 0 1 259.324 3.568 20 0 CHADMN COc1cc(C)cc(CN[C@H](C)c2cc3cnccc3o2)c1 ZINC000657932528 1120668799 /nfs/dbraw/zinc/66/87/99/1120668799.db2.gz PVRQLLPFBCXYKA-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN C[C@H](N(C)Cn1c(=O)oc2cc(Cl)ccc21)C(C)(C)C ZINC000026630492 1120669019 /nfs/dbraw/zinc/66/90/19/1120669019.db2.gz VXRQDEPYKCEQEO-JTQLQIEISA-N 0 1 296.798 3.572 20 0 CHADMN Cc1nc(CN2CCC[C@H](c3ccccn3)C2)sc1C ZINC000660627568 1120670506 /nfs/dbraw/zinc/67/05/06/1120670506.db2.gz UQRHTZWNQAEDQL-AWEZNQCLSA-N 0 1 287.432 3.535 20 0 CHADMN C[C@H]1CCCC[C@H]1N(C)Cc1ccncc1Br ZINC000625357429 1120671989 /nfs/dbraw/zinc/67/19/89/1120671989.db2.gz QUZDCVREBKJWML-SMDDNHRTSA-N 0 1 297.240 3.855 20 0 CHADMN CC(C)[N@@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C1CC1 ZINC000026940312 1120675298 /nfs/dbraw/zinc/67/52/98/1120675298.db2.gz RJGQJEIVAPKWKN-UHFFFAOYSA-N 0 1 288.435 3.795 20 0 CHADMN CC(C)N(CC(=O)Nc1ccc(C(C)(C)C)cc1)C1CC1 ZINC000026940312 1120675300 /nfs/dbraw/zinc/67/53/00/1120675300.db2.gz RJGQJEIVAPKWKN-UHFFFAOYSA-N 0 1 288.435 3.795 20 0 CHADMN CCO[C@H]1CCN(Cc2cccc(OC)c2Cl)C[C@H]1C ZINC000660720451 1120680403 /nfs/dbraw/zinc/68/04/03/1120680403.db2.gz OXEFNHVCISFQBW-OCCSQVGLSA-N 0 1 297.826 3.596 20 0 CHADMN CSc1ccccc1-c1cccc([C@H]2COCCN2)c1 ZINC000629750555 1128933562 /nfs/dbraw/zinc/93/35/62/1128933562.db2.gz KNVCWORCQIXASQ-MRXNPFEDSA-N 0 1 285.412 3.736 20 0 CHADMN CCO[C@@H](CN1CCc2sc(Cl)cc2C1)C1CC1 ZINC000625507499 1120696082 /nfs/dbraw/zinc/69/60/82/1120696082.db2.gz UMSUSWBIALESRX-LBPRGKRZSA-N 0 1 285.840 3.575 20 0 CHADMN Clc1sccc1CN1CCC(c2cn[nH]c2)CC1 ZINC000361547154 1120698418 /nfs/dbraw/zinc/69/84/18/1120698418.db2.gz FADKQRVLHYDZOJ-UHFFFAOYSA-N 0 1 281.812 3.504 20 0 CHADMN CCc1ncc(CN(CC)[C@H](C)c2cccc(OC)c2)o1 ZINC000929331143 1120698645 /nfs/dbraw/zinc/69/86/45/1120698645.db2.gz ORXGGVROKXZVOD-CYBMUJFWSA-N 0 1 288.391 3.829 20 0 CHADMN CC(C)O[C@@H]1CCCN(Cc2nsc3ccccc32)C1 ZINC000660912182 1120699817 /nfs/dbraw/zinc/69/98/17/1120699817.db2.gz LKWSWMCKODNIGK-CYBMUJFWSA-N 0 1 290.432 3.686 20 0 CHADMN FC1(F)C[C@@]12CCN(Cc1nsc3ccccc31)C2 ZINC000660922650 1120702562 /nfs/dbraw/zinc/70/25/62/1120702562.db2.gz KCHXKFMIDRQTBK-CYBMUJFWSA-N 0 1 280.343 3.527 20 0 CHADMN c1ccc2sc(CN3C[C@@H]4CCCC[C@@H]43)nc2c1 ZINC000660928490 1120705323 /nfs/dbraw/zinc/70/53/23/1120705323.db2.gz PCSMMSHRDDPQEM-AAEUAGOBSA-N 0 1 258.390 3.671 20 0 CHADMN c1ccc2c(c1)snc2C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660934830 1120705381 /nfs/dbraw/zinc/70/53/81/1120705381.db2.gz WBIFVBPCJNSNKJ-FZMZJTMJSA-N 0 1 258.390 3.671 20 0 CHADMN c1ccc2c(c1)snc2CN1C[C@@H]2CCCC[C@@H]21 ZINC000660934830 1120705385 /nfs/dbraw/zinc/70/53/85/1120705385.db2.gz WBIFVBPCJNSNKJ-FZMZJTMJSA-N 0 1 258.390 3.671 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)N1Cc2c[nH]nc2[C@H](C)C1 ZINC000931459468 1120707395 /nfs/dbraw/zinc/70/73/95/1120707395.db2.gz POWHDNXYDZMYAL-ABAIWWIYSA-N 0 1 273.355 3.619 20 0 CHADMN COC[C@@H](CC(C)(C)C)NCc1csc(C2CC2)n1 ZINC000651710040 1120718188 /nfs/dbraw/zinc/71/81/88/1120718188.db2.gz PNDBUARQGIXSAH-GFCCVEGCSA-N 0 1 282.453 3.561 20 0 CHADMN CN(CC(c1ccccc1)c1ccccc1)C1(C)COC1 ZINC001207526952 1120733396 /nfs/dbraw/zinc/73/33/96/1120733396.db2.gz SFDLEQHJJLXXHW-UHFFFAOYSA-N 0 1 281.399 3.539 20 0 CHADMN Clc1ccc(CNCc2cccc3c2CCC3)nc1 ZINC000651748465 1120734382 /nfs/dbraw/zinc/73/43/82/1120734382.db2.gz MZOLAZFAHFZWME-UHFFFAOYSA-N 0 1 272.779 3.514 20 0 CHADMN COc1ccc(CN(C)C[C@@H](C)c2nccs2)c(F)c1 ZINC000651760052 1120736917 /nfs/dbraw/zinc/73/69/17/1120736917.db2.gz NHRQEZPCFZWAOO-LLVKDONJSA-N 0 1 294.395 3.526 20 0 CHADMN CCc1nnc([C@H](C)N2CCc3ccccc3C(C)(C)C2)o1 ZINC000661211662 1120738953 /nfs/dbraw/zinc/73/89/53/1120738953.db2.gz LOTJMWDCAPPMJN-ZDUSSCGKSA-N 0 1 299.418 3.529 20 0 CHADMN CCc1cccc(CN[C@@H]2COc3ccc(F)cc32)c1 ZINC000651764254 1120739861 /nfs/dbraw/zinc/73/98/61/1120739861.db2.gz NUDQDOFKMADXMS-MRXNPFEDSA-N 0 1 271.335 3.611 20 0 CHADMN COc1ccc(CNC2(c3ccccc3C)CC2)c(F)c1 ZINC000651843179 1120762074 /nfs/dbraw/zinc/76/20/74/1120762074.db2.gz XJRPNVKQRFUORP-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN c1nc([C@@H]2CCCO2)sc1CN1CCC12CCCC2 ZINC000651873401 1120768013 /nfs/dbraw/zinc/76/80/13/1120768013.db2.gz DZYBADNFDBJREA-ZDUSSCGKSA-N 0 1 278.421 3.513 20 0 CHADMN CCn1nccc1CN(C)[C@H](C)CSc1ccccc1 ZINC000651875386 1120769073 /nfs/dbraw/zinc/76/90/73/1120769073.db2.gz CEORKFJSSOHSKY-CQSZACIVSA-N 0 1 289.448 3.516 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000651875815 1120769248 /nfs/dbraw/zinc/76/92/48/1120769248.db2.gz HMMFHYDRUOVMQY-KBPBESRZSA-N 0 1 283.375 3.636 20 0 CHADMN FCCCN1CCc2nc(-c3ccccc3)sc2C1 ZINC000661548783 1120777708 /nfs/dbraw/zinc/77/77/08/1120777708.db2.gz PUGMRDAWUGCUDL-UHFFFAOYSA-N 0 1 276.380 3.528 20 0 CHADMN CCCn1cc(CN[C@@H](CC)c2ccccc2F)cn1 ZINC000651932377 1120784192 /nfs/dbraw/zinc/78/41/92/1120784192.db2.gz SLNVRSHRRVYPJR-INIZCTEOSA-N 0 1 275.371 3.673 20 0 CHADMN Cc1nc(C)c(C(=O)N(CC(C)C)c2ccc(C)cc2)[nH]1 ZINC000909368028 1120784865 /nfs/dbraw/zinc/78/48/65/1120784865.db2.gz PZXWMZRUMYADCH-UHFFFAOYSA-N 0 1 285.391 3.638 20 0 CHADMN Clc1ccccc1CCN1CCOc2ccccc2C1 ZINC000109472399 1120785247 /nfs/dbraw/zinc/78/52/47/1120785247.db2.gz WBSLYPYSRCDOIS-UHFFFAOYSA-N 0 1 287.790 3.777 20 0 CHADMN Clc1ccc(CNCc2cnc3ccccc3n2)cc1 ZINC000037243168 1120786021 /nfs/dbraw/zinc/78/60/21/1120786021.db2.gz ZWDRNQLIIBSPRD-UHFFFAOYSA-N 0 1 283.762 3.573 20 0 CHADMN CCc1nnc(SCCCOc2ccc(C)c(C)c2)[nH]1 ZINC000046084549 1120787373 /nfs/dbraw/zinc/78/73/73/1120787373.db2.gz VMYZFWUDPOLJHD-UHFFFAOYSA-N 0 1 291.420 3.545 20 0 CHADMN CCc1n[nH]c(SCCCOc2ccc(C)c(C)c2)n1 ZINC000046084549 1120787376 /nfs/dbraw/zinc/78/73/76/1120787376.db2.gz VMYZFWUDPOLJHD-UHFFFAOYSA-N 0 1 291.420 3.545 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N1CCC[C@@](O)(C2CC2)C1 ZINC000661627444 1120787451 /nfs/dbraw/zinc/78/74/51/1120787451.db2.gz RDKWAHWFFGOGLE-ZBEGNZNMSA-N 0 1 297.801 3.777 20 0 CHADMN CCc1noc([C@H](C)N2CCCC(CC)(CC)C2)n1 ZINC000661673005 1120792652 /nfs/dbraw/zinc/79/26/52/1120792652.db2.gz AGVFQNJBZJFGAQ-LBPRGKRZSA-N 0 1 265.401 3.595 20 0 CHADMN COc1ccc([C@@H](N[C@H]2CC2(C)C)c2ccccn2)cc1 ZINC000652174701 1120795309 /nfs/dbraw/zinc/79/53/09/1120795309.db2.gz BNQDTDLEYKSADY-DLBZAZTESA-N 0 1 282.387 3.568 20 0 CHADMN CCC[C@@H](C)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000048071203 1120800740 /nfs/dbraw/zinc/80/07/40/1120800740.db2.gz BEMJFWNKUAFUMI-CYBMUJFWSA-N 0 1 273.380 3.665 20 0 CHADMN CC(C)Oc1ncccc1CNCc1cccc(Cl)c1 ZINC000048068442 1120801105 /nfs/dbraw/zinc/80/11/05/1120801105.db2.gz WPATWVFTYUBUHG-UHFFFAOYSA-N 0 1 290.794 3.812 20 0 CHADMN Cc1ccc2[nH]c(CN3CCSC[C@@H]3C)cc2c1C ZINC000473140644 1120804034 /nfs/dbraw/zinc/80/40/34/1120804034.db2.gz RGGSTNQYIAOBTC-LBPRGKRZSA-N 0 1 274.433 3.722 20 0 CHADMN Cc1cccc(C2=CC[N@@H+](Cc3ncccc3C)CC2)c1 ZINC000093257098 1128941541 /nfs/dbraw/zinc/94/15/41/1128941541.db2.gz WUKJNXZRORZFBQ-UHFFFAOYSA-N 0 1 278.399 3.988 20 0 CHADMN CCn1nc(CN2CCC[C@H]3CCC[C@@H]32)c2ccccc21 ZINC000473146531 1120815213 /nfs/dbraw/zinc/81/52/13/1120815213.db2.gz AIGPJMBNOYEBMI-PBHICJAKSA-N 0 1 283.419 3.821 20 0 CHADMN Cc1nccc(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)n1 ZINC000054790554 1120817561 /nfs/dbraw/zinc/81/75/61/1120817561.db2.gz GHJMWZBZIRTSDE-INIZCTEOSA-N 0 1 287.382 3.801 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccccc1)c1cc2ccccc2o1 ZINC000062999607 1120820007 /nfs/dbraw/zinc/82/00/07/1120820007.db2.gz DXDYAHJRHGBBSE-CJNGLKHVSA-N 0 1 281.355 3.817 20 0 CHADMN Cc1c([C@@H](C)NC2CC3(CCC3)C2)nnn1-c1ccccc1 ZINC000652326407 1120825709 /nfs/dbraw/zinc/82/57/09/1120825709.db2.gz GNZHYNKRVHTASK-CYBMUJFWSA-N 0 1 296.418 3.559 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N(Cc2nc(C3CCCC3)no2)C1 ZINC000661861729 1120825876 /nfs/dbraw/zinc/82/58/76/1120825876.db2.gz VBZDSTIZDQSGSA-CHWSQXEVSA-N 0 1 277.412 3.738 20 0 CHADMN Fc1ccc([C@@H](NC2CC3(CCC3)C2)c2cnccn2)cc1 ZINC000652327636 1120827217 /nfs/dbraw/zinc/82/72/17/1120827217.db2.gz DRKGFBQFNROEIA-QGZVFWFLSA-N 0 1 297.377 3.627 20 0 CHADMN Fc1ccc(F)c(CN2CCC([C@H]3CCCCO3)CC2)c1 ZINC000661868117 1120829647 /nfs/dbraw/zinc/82/96/47/1120829647.db2.gz WXFRDAQZVNPCKH-QGZVFWFLSA-N 0 1 295.373 3.746 20 0 CHADMN CCOC(=O)[C@@H](c1ccccc1)N1CCC2(CCCC2)C1 ZINC000313969657 1120833677 /nfs/dbraw/zinc/83/36/77/1120833677.db2.gz NPVACENATVZJGJ-MRXNPFEDSA-N 0 1 287.403 3.557 20 0 CHADMN F[C@](Cl)(OC1CCN(C2CC2)CC1)c1ccccc1 ZINC001222957518 1120842355 /nfs/dbraw/zinc/84/23/55/1120842355.db2.gz NZYXYMLCTSKCHV-HNNXBMFYSA-N 0 1 283.774 3.649 20 0 CHADMN C[C@H]1CCN(Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000511911848 1120843609 /nfs/dbraw/zinc/84/36/09/1120843609.db2.gz RABIWHSYIOAFFA-VIFPVBQESA-N 0 1 261.262 3.686 20 0 CHADMN CC(C)[N@@H+](CCc1ccccc1C(=O)[O-])Cc1ccccc1 ZINC000652369337 1120843922 /nfs/dbraw/zinc/84/39/22/1120843922.db2.gz YFUCILPUMAVQJS-UHFFFAOYSA-N 0 1 297.398 3.838 20 0 CHADMN C[C@H](NC(=O)c1ccc(Cl)c(O)c1)[C@@H]1CCC[C@H](C)C1 ZINC001626588279 1120844324 /nfs/dbraw/zinc/84/43/24/1120844324.db2.gz COTWGRBNOISGEY-SDDRHHMPSA-N 0 1 295.810 3.990 20 0 CHADMN C[C@H]1COC2(CCCC2)CN1CCCCC(F)(F)F ZINC000661982174 1120852226 /nfs/dbraw/zinc/85/22/26/1120852226.db2.gz WARDPZNJCINEND-LBPRGKRZSA-N 0 1 279.346 3.753 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000652408856 1120857169 /nfs/dbraw/zinc/85/71/69/1120857169.db2.gz AEKKOFFWHQGCID-IAGOWNOFSA-N 0 1 289.419 3.900 20 0 CHADMN CC[C@H]1c2ccccc2CC[N@@H+]1CCCCCC(=O)[O-] ZINC000652414572 1120858733 /nfs/dbraw/zinc/85/87/33/1120858733.db2.gz HGDVNMBYHWMFQH-INIZCTEOSA-N 0 1 275.392 3.641 20 0 CHADMN C[C@H](NCc1ccccc1C1CC1)c1ccccn1 ZINC000094357524 1120862335 /nfs/dbraw/zinc/86/23/35/1120862335.db2.gz CBBROXMMLRGKHJ-ZDUSSCGKSA-N 0 1 252.361 3.810 20 0 CHADMN C[C@@H](c1cc(Cl)ccc1Cl)N1CCC2(COC2)C1 ZINC000662073676 1120869695 /nfs/dbraw/zinc/86/96/95/1120869695.db2.gz LAQXEVGXWSXNJK-JTQLQIEISA-N 0 1 286.202 3.777 20 0 CHADMN CCc1ccccc1CC[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000652482179 1120870794 /nfs/dbraw/zinc/87/07/94/1120870794.db2.gz QUBMYUGRPMZZDH-UHFFFAOYSA-N 0 1 289.419 3.511 20 0 CHADMN O=C([O-])C[N@@H+](Cc1ccc(Cl)s1)C1CCCCC1 ZINC000652482303 1120870851 /nfs/dbraw/zinc/87/08/51/1120870851.db2.gz WFHQQOPYZIURBX-UHFFFAOYSA-N 0 1 287.812 3.621 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000252538818 1120883691 /nfs/dbraw/zinc/88/36/91/1120883691.db2.gz AWUMXODHGLGZGY-CHWSQXEVSA-N 0 1 279.380 3.797 20 0 CHADMN CCCCC[C@H]1CCCCN1Cc1nnc2n1CCCC2 ZINC000662156107 1120887192 /nfs/dbraw/zinc/88/71/92/1120887192.db2.gz PDTBMILNARXHDX-HNNXBMFYSA-N 0 1 290.455 3.549 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2n[nH]cc21)c1ccccc1Cl ZINC000336370044 1120898322 /nfs/dbraw/zinc/89/83/22/1120898322.db2.gz NPFRHZQVIFVHFM-QMTHXVAHSA-N 0 1 275.783 3.791 20 0 CHADMN Cc1cnc(CN2CCC[C@@H](C3CCCCC3)C2)nc1 ZINC000662201244 1120898337 /nfs/dbraw/zinc/89/83/37/1120898337.db2.gz LDRNTUQUUDXTAQ-MRXNPFEDSA-N 0 1 273.424 3.577 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC[C@@H](C3CCCCC3)C2)o1 ZINC000662203515 1120898522 /nfs/dbraw/zinc/89/85/22/1120898522.db2.gz XYNRTEDARMZNLX-UKRRQHHQSA-N 0 1 291.439 3.985 20 0 CHADMN CC(C)c1cccc(C[NH2+][C@@H](C(=O)[O-])c2cccs2)c1 ZINC000663260762 1120904350 /nfs/dbraw/zinc/90/43/50/1120904350.db2.gz WFXVTEPZNOSEIG-OAHLLOKOSA-N 0 1 289.400 3.787 20 0 CHADMN Cc1cc([C@@H](C)NCc2cc(-c3cccnc3)n[nH]2)c(C)o1 ZINC000343893831 1120905554 /nfs/dbraw/zinc/90/55/54/1120905554.db2.gz IZMVFBIJJZYGKT-GFCCVEGCSA-N 0 1 296.374 3.532 20 0 CHADMN Cc1ccc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c(Cl)c1 ZINC000662226452 1120905804 /nfs/dbraw/zinc/90/58/04/1120905804.db2.gz ZYFPDINAEHHFEK-UHFFFAOYSA-N 0 1 283.799 3.581 20 0 CHADMN CCCC[N@@H+](CC)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000212261966 1120906347 /nfs/dbraw/zinc/90/63/47/1120906347.db2.gz ZMYMHMZKDSVSAH-ZDUSSCGKSA-N 0 1 287.762 3.727 20 0 CHADMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccc(C(C)(C)C)cc1 ZINC000662228237 1120907436 /nfs/dbraw/zinc/90/74/36/1120907436.db2.gz VXJOVSCUCFWCSV-UHFFFAOYSA-N 0 1 291.435 3.917 20 0 CHADMN C[N@@H+](CC1=CCSC1)Cc1cccc(Br)c1 ZINC000662265346 1120913633 /nfs/dbraw/zinc/91/36/33/1120913633.db2.gz XFLFZPFGVBHCAL-UHFFFAOYSA-N 0 1 298.249 3.554 20 0 CHADMN CC(C)Oc1ccccc1CN(C)CC1=CCSC1 ZINC000662268943 1120915025 /nfs/dbraw/zinc/91/50/25/1120915025.db2.gz QXTOOYRANQNCTR-UHFFFAOYSA-N 0 1 277.433 3.579 20 0 CHADMN Cc1cnc(C[N@H+]2CCCC[C@H]2c2ccccc2)cn1 ZINC000336474539 1120918258 /nfs/dbraw/zinc/91/82/58/1120918258.db2.gz NDWQQGYMKFMWJW-KRWDZBQOSA-N 0 1 267.376 3.512 20 0 CHADMN Cc1cnc(CN2CCCC[C@H]2c2ccccc2)cn1 ZINC000336474539 1120918261 /nfs/dbraw/zinc/91/82/61/1120918261.db2.gz NDWQQGYMKFMWJW-KRWDZBQOSA-N 0 1 267.376 3.512 20 0 CHADMN CC(C)c1cccc(C[N@H+]2CC[C@@](C(=O)[O-])(C(C)C)C2)c1 ZINC000663317407 1120923641 /nfs/dbraw/zinc/92/36/41/1120923641.db2.gz NFSXCVYNFITLNA-SFHVURJKSA-N 0 1 289.419 3.743 20 0 CHADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1F)CC1CCCCC1 ZINC000062756001 1120925242 /nfs/dbraw/zinc/92/52/42/1120925242.db2.gz VCYCCBNKMDHMCT-UHFFFAOYSA-N 0 1 279.355 3.536 20 0 CHADMN C[C@]12CCN(Cc3cc4ccccc4[nH]3)C[C@H]1C2(F)F ZINC000644834270 1120925915 /nfs/dbraw/zinc/92/59/15/1120925915.db2.gz MWUCKEKVWWRLRP-CABCVRRESA-N 0 1 276.330 3.645 20 0 CHADMN Cc1cccc(Cl)c1NC(=O)CN(C)C[C@@H]1CC1(C)C ZINC000662343601 1120928766 /nfs/dbraw/zinc/92/87/66/1120928766.db2.gz AKLKRYVWMDTUGN-LBPRGKRZSA-N 0 1 294.826 3.565 20 0 CHADMN CCc1noc(C)c1CN[C@@]1(c2ccccc2)CC1(C)C ZINC000662345309 1120929129 /nfs/dbraw/zinc/92/91/29/1120929129.db2.gz YESOYQCFRMYOLQ-GOSISDBHSA-N 0 1 284.403 3.960 20 0 CHADMN C[C@H]1CN(CC2CCC(F)(F)CC2)C[C@](C)(C(F)F)O1 ZINC000662358237 1120931183 /nfs/dbraw/zinc/93/11/83/1120931183.db2.gz LQKBMOPXKSJLIH-GXFFZTMASA-N 0 1 297.336 3.556 20 0 CHADMN CC12CC(C1)CN2Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000662385628 1120932459 /nfs/dbraw/zinc/93/24/59/1120932459.db2.gz YLTCSGMBUBAZCT-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN COCC1(NCc2ncc(C(C)C)s2)CCCCC1 ZINC000663337332 1120938929 /nfs/dbraw/zinc/93/89/29/1120938929.db2.gz UJUSCFIOUWVUPH-UHFFFAOYSA-N 0 1 282.453 3.705 20 0 CHADMN Cc1ccccc1CNCc1cnccc1C(F)(F)F ZINC000663351276 1120944149 /nfs/dbraw/zinc/94/41/49/1120944149.db2.gz ATQFPGKJQPBACT-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN Oc1cccc(CNC2(c3ccc(Cl)cc3)CC2)c1 ZINC000069878630 1120958893 /nfs/dbraw/zinc/95/88/93/1120958893.db2.gz SSOOASBKYDGZJO-UHFFFAOYSA-N 0 1 273.763 3.825 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccoc2)cc1OC ZINC000094869108 1120967501 /nfs/dbraw/zinc/96/75/01/1120967501.db2.gz KDUURXVRAASUAF-RYUDHWBXSA-N 0 1 275.348 3.709 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@H](C)N1CCCCC1 ZINC000008118962 1120968921 /nfs/dbraw/zinc/96/89/21/1120968921.db2.gz ZIFAWUJCBRODOB-AWEZNQCLSA-N 0 1 274.408 3.623 20 0 CHADMN CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCCCC1 ZINC000008118961 1120969251 /nfs/dbraw/zinc/96/92/51/1120969251.db2.gz ZIFAWUJCBRODOB-CQSZACIVSA-N 0 1 274.408 3.623 20 0 CHADMN CC(C)(C)CC(C)(C)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000342388168 1120977603 /nfs/dbraw/zinc/97/76/03/1120977603.db2.gz TYZKPEYLIRMIHL-UHFFFAOYSA-N 0 1 291.370 3.647 20 0 CHADMN CCn1nccc1CN[C@H]1CCCOc2cc(C)c(C)cc21 ZINC000663467799 1120983648 /nfs/dbraw/zinc/98/36/48/1120983648.db2.gz NQAGZOBTHJDFCZ-KRWDZBQOSA-N 0 1 299.418 3.523 20 0 CHADMN Cc1ncccc1CN(Cc1ccccc1F)CC1CC1 ZINC000661794674 1120991705 /nfs/dbraw/zinc/99/17/05/1120991705.db2.gz VRUUVCOQGNDNHI-UHFFFAOYSA-N 0 1 284.378 3.941 20 0 CHADMN CCC(CC)CN(CC)Cc1nc(CC(C)C)no1 ZINC000051824337 1121000179 /nfs/dbraw/zinc/00/01/79/1121000179.db2.gz ULZXSBHKQCPVKR-UHFFFAOYSA-N 0 1 267.417 3.526 20 0 CHADMN Cn1cc(CNCc2ccc(C(F)F)cc2)c(C2CC2)n1 ZINC000893623444 1121001769 /nfs/dbraw/zinc/00/17/69/1121001769.db2.gz YINQWNRFFTZFDH-UHFFFAOYSA-N 0 1 291.345 3.525 20 0 CHADMN CCC[C@@]1(C)CCCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000343973874 1121009298 /nfs/dbraw/zinc/00/92/98/1121009298.db2.gz HLWUFGPDBGQWDE-KRWDZBQOSA-N 0 1 291.439 3.884 20 0 CHADMN C[C@@H]1CCN(C(=O)c2cccc3n[nH]cc32)[C@@H]2CCCC[C@H]12 ZINC000057083279 1121012627 /nfs/dbraw/zinc/01/26/27/1121012627.db2.gz AEOBCXWJAGTBMU-PBFPGSCMSA-N 0 1 297.402 3.604 20 0 CHADMN CC(C)c1cc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)n[nH]1 ZINC000057083498 1121013023 /nfs/dbraw/zinc/01/30/23/1121013023.db2.gz YWXJOEQHBRGSLY-ZENOOKHLSA-N 0 1 289.423 3.574 20 0 CHADMN COC(C)(C)[C@@H](C)NCc1cc(Cl)sc1Cl ZINC000378693561 1121015666 /nfs/dbraw/zinc/01/56/66/1121015666.db2.gz JXZPFIMWUBNUAQ-SSDOTTSWSA-N 0 1 282.236 3.958 20 0 CHADMN CC(C)(C)c1nc[nH]c1C(=O)Nc1ccc(Cl)cc1F ZINC000630413380 1128957193 /nfs/dbraw/zinc/95/71/93/1128957193.db2.gz FMKAJUIAXVHUPN-UHFFFAOYSA-N 0 1 295.745 3.752 20 0 CHADMN C[C@@H](CC(=O)Nc1cc(CN(C)C)ccn1)CC(C)(C)C ZINC000674000140 1121034008 /nfs/dbraw/zinc/03/40/08/1121034008.db2.gz LPAYZDJTNZGAPC-ZDUSSCGKSA-N 0 1 291.439 3.544 20 0 CHADMN CN(C)c1cccc(CN2CC[C@@H]2c2cccc(F)c2)c1 ZINC000674009961 1121036530 /nfs/dbraw/zinc/03/65/30/1121036530.db2.gz NUFNJVJOONXGMZ-GOSISDBHSA-N 0 1 284.378 3.839 20 0 CHADMN CN(C)c1ccccc1CN1CC[C@H]1c1cccc(F)c1 ZINC000674009724 1121036728 /nfs/dbraw/zinc/03/67/28/1121036728.db2.gz KZTUHRPBLRPHHX-SFHVURJKSA-N 0 1 284.378 3.839 20 0 CHADMN Fc1cccc([C@H]2CCN2CCCOCC(F)(F)F)c1 ZINC000674014081 1121040312 /nfs/dbraw/zinc/04/03/12/1121040312.db2.gz XSRTYNLQNRHUNI-CYBMUJFWSA-N 0 1 291.288 3.542 20 0 CHADMN Cc1nnc([C@@H](C)NCC2CCC(C(C)(C)C)CC2)o1 ZINC000543548538 1121040678 /nfs/dbraw/zinc/04/06/78/1121040678.db2.gz VDPGBQCRFMGZGB-LMWSTFAQSA-N 0 1 279.428 3.881 20 0 CHADMN Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](C4CC4)C3)o2)cc1 ZINC000343991698 1121047348 /nfs/dbraw/zinc/04/73/48/1121047348.db2.gz MGOXAOSLPPJIAQ-INIZCTEOSA-N 0 1 297.402 3.667 20 0 CHADMN Cc1ccc(-c2nnc(CN3CCC[C@H](C4CC4)C3)o2)cc1 ZINC000343991698 1121047356 /nfs/dbraw/zinc/04/73/56/1121047356.db2.gz MGOXAOSLPPJIAQ-INIZCTEOSA-N 0 1 297.402 3.667 20 0 CHADMN CCc1c(C)[nH]n(-c2cc(C(F)(F)F)ccc2F)c1=O ZINC000634615581 1128959387 /nfs/dbraw/zinc/95/93/87/1128959387.db2.gz LFUNBFCVJCANHE-VIFPVBQESA-N 0 1 288.244 3.593 20 0 CHADMN Cc1ccc(F)cc1Nc1ccccc1N1CCN(C)CC1 ZINC001174884058 1121058629 /nfs/dbraw/zinc/05/86/29/1121058629.db2.gz KTGNBNFJPVRBGG-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN CCC(CC)N(CC)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000344026906 1121058897 /nfs/dbraw/zinc/05/88/97/1121058897.db2.gz KCBXTIXMPHWCCN-CYBMUJFWSA-N 0 1 297.443 3.814 20 0 CHADMN CC[C@@H](NC[C@@H](OC)c1ccccc1)c1nc(C)cs1 ZINC000284461126 1121071404 /nfs/dbraw/zinc/07/14/04/1121071404.db2.gz RXFKYZHLWCMSAL-HUUCEWRRSA-N 0 1 290.432 3.880 20 0 CHADMN CN(Cc1csc(-c2ccccn2)n1)C[C@H]1CC=CCC1 ZINC000344074575 1121073572 /nfs/dbraw/zinc/07/35/72/1121073572.db2.gz UMTOIPGDZVFOBW-AWEZNQCLSA-N 0 1 299.443 3.993 20 0 CHADMN CCC[C@H]1CN(Cc2cccc(-c3cccnc3)c2)CCO1 ZINC000093508660 1128960605 /nfs/dbraw/zinc/96/06/05/1128960605.db2.gz CFIKVVGKRIWERX-IBGZPJMESA-N 0 1 296.414 3.750 20 0 CHADMN Brc1ccc(CNCc2ccsc2)s1 ZINC000037985175 1121092481 /nfs/dbraw/zinc/09/24/81/1121092481.db2.gz XOTKCZHHSIZOOM-UHFFFAOYSA-N 0 1 288.235 3.862 20 0 CHADMN Cc1ncc2c(n1)CCC[C@H]2NCc1sccc1Cl ZINC000785471617 1121094346 /nfs/dbraw/zinc/09/43/46/1121094346.db2.gz WIRRRGHCISJTTM-GFCCVEGCSA-N 0 1 293.823 3.667 20 0 CHADMN Cc1nc(CN(C)C2CCC(C(F)(F)F)CC2)oc1C ZINC000344148922 1121104281 /nfs/dbraw/zinc/10/42/81/1121104281.db2.gz FFXFITBETSIMNX-UHFFFAOYSA-N 0 1 290.329 3.844 20 0 CHADMN CC[C@@H](NCc1ccnc(Cl)c1)c1c(C)noc1C ZINC000182393478 1128963782 /nfs/dbraw/zinc/96/37/82/1128963782.db2.gz RZDCMGYEIUWUIO-GFCCVEGCSA-N 0 1 279.771 3.581 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2noc(-c3ccsc3)n2)C1 ZINC000344213939 1121122426 /nfs/dbraw/zinc/12/24/26/1121122426.db2.gz OPGJRKDORCOGRB-LBPRGKRZSA-N 0 1 291.420 3.666 20 0 CHADMN CCOc1cc(F)cc(Nc2ccnn2-c2ccncc2)c1 ZINC001175002112 1121127738 /nfs/dbraw/zinc/12/77/38/1121127738.db2.gz IIWPJADMMCTZJC-UHFFFAOYSA-N 0 1 298.321 3.549 20 0 CHADMN COc1ccc(CN[C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000779514543 1128965155 /nfs/dbraw/zinc/96/51/55/1128965155.db2.gz DSEAONQZBFSPQQ-CQSZACIVSA-N 0 1 288.778 3.521 20 0 CHADMN Cc1ccc(Nc2ccnc(CO)c2)c2ccccc12 ZINC001174987786 1121142633 /nfs/dbraw/zinc/14/26/33/1121142633.db2.gz HXIOIQNJQVPEIH-UHFFFAOYSA-N 0 1 264.328 3.779 20 0 CHADMN Fc1cccc(Cl)c1CNCCSC(F)(F)F ZINC000225635624 1121142603 /nfs/dbraw/zinc/14/26/03/1121142603.db2.gz BFCYXIKPCJDJHT-UHFFFAOYSA-N 0 1 287.709 3.822 20 0 CHADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000319864400 1121149720 /nfs/dbraw/zinc/14/97/20/1121149720.db2.gz ZVURBVVLSFUPGV-LJQANCHMSA-N 0 1 297.398 3.773 20 0 CHADMN CCCCc1ccc(Nc2ccnc(CO)c2)cc1 ZINC001175034898 1121152711 /nfs/dbraw/zinc/15/27/11/1121152711.db2.gz DUXASUNYIFICEZ-UHFFFAOYSA-N 0 1 256.349 3.660 20 0 CHADMN Cc1cc(NC(=O)c2cccc(F)c2O)c(Cl)cc1F ZINC001128768653 1121155815 /nfs/dbraw/zinc/15/58/15/1121155815.db2.gz YVCQPEFALRWOMW-UHFFFAOYSA-N 0 1 297.688 3.885 20 0 CHADMN CC(C)[C@H](NCc1ccsc1Cl)c1cnn(C)c1 ZINC000922893048 1121156389 /nfs/dbraw/zinc/15/63/89/1121156389.db2.gz HIYZTLRSBAVBPO-LBPRGKRZSA-N 0 1 283.828 3.622 20 0 CHADMN Cc1ccc(C[C@H](C)N(C)Cc2ccn(C(C)C)n2)cc1 ZINC000172573507 1121156543 /nfs/dbraw/zinc/15/65/43/1121156543.db2.gz HWVFLUDVPVYNKL-INIZCTEOSA-N 0 1 285.435 3.835 20 0 CHADMN FC(F)(F)CCNCc1ccccc1OC(F)(F)F ZINC000063099048 1121157683 /nfs/dbraw/zinc/15/76/83/1121157683.db2.gz QPDNBQKYFYKMBR-UHFFFAOYSA-N 0 1 287.203 3.627 20 0 CHADMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1nc(C(C)(C)C)co1 ZINC000893677976 1121161632 /nfs/dbraw/zinc/16/16/32/1121161632.db2.gz YZIJCIPMXUCTBO-NEPJUHHUSA-N 0 1 250.386 3.593 20 0 CHADMN CC[C@H]1[C@H](C)CCN1Cc1nc(C(C)(C)C)co1 ZINC000893677976 1121161634 /nfs/dbraw/zinc/16/16/34/1121161634.db2.gz YZIJCIPMXUCTBO-NEPJUHHUSA-N 0 1 250.386 3.593 20 0 CHADMN COc1cccc(C[N@@H+](C)Cc2cc3ccccc3[nH]2)c1 ZINC000674649604 1121161828 /nfs/dbraw/zinc/16/18/28/1121161828.db2.gz DZQJZSGEOFBHLB-UHFFFAOYSA-N 0 1 280.371 3.809 20 0 CHADMN COc1cccc(CN(C)Cc2cc3ccccc3[nH]2)c1 ZINC000674649604 1121161833 /nfs/dbraw/zinc/16/18/33/1121161833.db2.gz DZQJZSGEOFBHLB-UHFFFAOYSA-N 0 1 280.371 3.809 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1C[C@@H]2[C@H](C1)C2(C)C ZINC000172957824 1121167436 /nfs/dbraw/zinc/16/74/36/1121167436.db2.gz RZQIJTABCRIUAJ-TXEJJXNPSA-N 0 1 288.416 3.799 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2ccc(C)c(C(=O)[O-])c2)CC1 ZINC000701829433 1121169626 /nfs/dbraw/zinc/16/96/26/1121169626.db2.gz PVEMWQSKXDSZHO-AWEZNQCLSA-N 0 1 275.392 3.705 20 0 CHADMN C[C@H]1CC(CN[C@@H](c2ncc[nH]2)c2cccnc2)C[C@H](C)C1 ZINC000658126709 1121170300 /nfs/dbraw/zinc/17/03/00/1121170300.db2.gz HVAQAAURVGKGGS-CKEIUWERSA-N 0 1 298.434 3.556 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000674700194 1121170310 /nfs/dbraw/zinc/17/03/10/1121170310.db2.gz JZLMFWKSYWSBAI-CYBMUJFWSA-N 0 1 256.349 3.574 20 0 CHADMN OC[C@H]1CCCC[N@H+]1Cc1ccccc1Oc1ccccc1 ZINC000674713997 1121171729 /nfs/dbraw/zinc/17/17/29/1121171729.db2.gz KGEHUMSNNHTDBL-QGZVFWFLSA-N 0 1 297.398 3.826 20 0 CHADMN c1sc(CN2CC[C@@H]3C[C@@H]3C2)nc1-c1ccccc1 ZINC000661968697 1121173546 /nfs/dbraw/zinc/17/35/46/1121173546.db2.gz ZWHFSJPGTVVDNU-ZIAGYGMSSA-N 0 1 270.401 3.652 20 0 CHADMN C[C@H]1c2ccccc2OCCN1CCOCC1CCCC1 ZINC001167866878 1121173666 /nfs/dbraw/zinc/17/36/66/1121173666.db2.gz AXTOWAWTIYNKHJ-HNNXBMFYSA-N 0 1 289.419 3.649 20 0 CHADMN Fc1ccc(C2CN(Cc3cccn3C3CC3)C2)cc1 ZINC001117867548 1121174061 /nfs/dbraw/zinc/17/40/61/1121174061.db2.gz DFLYYUXVUQROGR-UHFFFAOYSA-N 0 1 270.351 3.562 20 0 CHADMN CCOc1ccccc1[C@@H](C)NCc1ccc(C)nc1 ZINC000062050981 1121185955 /nfs/dbraw/zinc/18/59/55/1121185955.db2.gz SZAPDUWNPCWVBW-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN[C@@H](CCO)c2ccccc2)o1 ZINC000344435275 1121186906 /nfs/dbraw/zinc/18/69/06/1121186906.db2.gz CJTVYHRMIACHFO-XYPHTWIQSA-N 0 1 285.387 3.616 20 0 CHADMN CCN(Cc1c[nH]nc1-c1cccs1)Cc1ccncc1 ZINC000348905523 1121190881 /nfs/dbraw/zinc/19/08/81/1121190881.db2.gz RCEBXEMBMBOWTO-UHFFFAOYSA-N 0 1 298.415 3.555 20 0 CHADMN Cc1cc(Nc2cc(C)ccc2C)n(-c2ccncc2)n1 ZINC001175162904 1121209894 /nfs/dbraw/zinc/20/98/94/1121209894.db2.gz AUUWTKRGCQPPAG-UHFFFAOYSA-N 0 1 278.359 3.936 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@@H](c2ccccc2)[C@H](C)O)s1 ZINC000658360039 1121216214 /nfs/dbraw/zinc/21/62/14/1121216214.db2.gz GULPUSSVVOWCQG-SLEUVZQESA-N 0 1 290.432 3.533 20 0 CHADMN COc1ccccc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000093690275 1128970727 /nfs/dbraw/zinc/97/07/27/1128970727.db2.gz AILWIWCIHVIGTE-HOCLYGCPSA-N 0 1 277.433 3.555 20 0 CHADMN COc1ccccc1CN1CCS[C@H]2CCCC[C@@H]21 ZINC000093690275 1128970731 /nfs/dbraw/zinc/97/07/31/1128970731.db2.gz AILWIWCIHVIGTE-HOCLYGCPSA-N 0 1 277.433 3.555 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662030117 1121236518 /nfs/dbraw/zinc/23/65/18/1121236518.db2.gz DBWRYDGZZZQPGR-UTUOFQBUSA-N 0 1 283.774 3.508 20 0 CHADMN CCO[C@H]1C[C@@H](N(C)Cc2conc2CC)C1(CC)CC ZINC000351760525 1121241034 /nfs/dbraw/zinc/24/10/34/1121241034.db2.gz UXQBCLSXPDYQLJ-CVEARBPZSA-N 0 1 294.439 3.653 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CCC[C@H](C2CCC2)C1 ZINC000662035715 1121243072 /nfs/dbraw/zinc/24/30/72/1121243072.db2.gz ABVINVBQKIDSEF-OCCSQVGLSA-N 0 1 291.439 3.940 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@H]2CCc3ccc(O)cc32)cn1 ZINC000658242249 1121247511 /nfs/dbraw/zinc/24/75/11/1121247511.db2.gz YNJAHCAYJLKTJG-SJCJKPOMSA-N 0 1 285.391 3.508 20 0 CHADMN COc1ccc(CNC[C@H](c2ccccc2)C(F)(F)F)o1 ZINC000893702411 1121250030 /nfs/dbraw/zinc/25/00/30/1121250030.db2.gz UOPANSJMGLSDOY-CYBMUJFWSA-N 0 1 299.292 3.724 20 0 CHADMN CCc1nc(CN2CCC[C@H](C3CCC3)C2)cs1 ZINC000662040730 1121255365 /nfs/dbraw/zinc/25/53/65/1121255365.db2.gz WHAFNTBJKYIFSX-ZDUSSCGKSA-N 0 1 264.438 3.718 20 0 CHADMN CCOc1ncccc1CN[C@H](CC)c1ccccc1 ZINC000112522203 1121257297 /nfs/dbraw/zinc/25/72/97/1121257297.db2.gz BQBXRAFQQBWWPZ-MRXNPFEDSA-N 0 1 270.376 3.721 20 0 CHADMN C[C@H](c1nnc(-c2ccccc2)o1)N1CCCC(C)(C)C1 ZINC000112701655 1121260799 /nfs/dbraw/zinc/26/07/99/1121260799.db2.gz OWFXBBODSPMHFF-CYBMUJFWSA-N 0 1 285.391 3.920 20 0 CHADMN Cc1cc(Nc2c(F)ccc(O)c2F)c2ccccc2n1 ZINC001175261957 1121265261 /nfs/dbraw/zinc/26/52/61/1121265261.db2.gz URUHVUZQHXDWBX-UHFFFAOYSA-N 0 1 286.281 3.693 20 0 CHADMN Cc1ccc2oc(CN[C@H](C)c3ccncc3)cc2c1 ZINC000152027259 1121270978 /nfs/dbraw/zinc/27/09/78/1121270978.db2.gz NJWJEKRGHBZTLB-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN Cc1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1C ZINC000007774417 1121272021 /nfs/dbraw/zinc/27/20/21/1121272021.db2.gz HTPWBWJIFPVBPS-UHFFFAOYSA-N 0 1 291.354 3.946 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2noc3c2CCCC3)C1 ZINC000174200583 1121274141 /nfs/dbraw/zinc/27/41/41/1121274141.db2.gz RZWFVOUVTVHIFK-INIZCTEOSA-N 0 1 262.397 3.566 20 0 CHADMN Cc1[nH+]ccn1-c1ccc(Nc2cccc(C(=O)[O-])c2)cc1 ZINC001175328962 1121285878 /nfs/dbraw/zinc/28/58/78/1121285878.db2.gz FVHOVORPTHLBSD-UHFFFAOYSA-N 0 1 293.326 3.623 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCOC[C@@H](C2CCC2)C1 ZINC000429250336 1121286381 /nfs/dbraw/zinc/28/63/81/1121286381.db2.gz AKWWPJFJAQTFLQ-OCCSQVGLSA-N 0 1 295.373 3.774 20 0 CHADMN CO[C@@]1(C(F)(F)F)CCCN(Cc2ccsc2C)C1 ZINC000646169519 1121290722 /nfs/dbraw/zinc/29/07/22/1121290722.db2.gz SPJLLGQNJLPOEE-LBPRGKRZSA-N 0 1 293.354 3.600 20 0 CHADMN CC[C@H]1CCN(Cc2nc3ccc(F)cc3s2)C1 ZINC000432725858 1121297025 /nfs/dbraw/zinc/29/70/25/1121297025.db2.gz BSFXERNHNVHPFF-JTQLQIEISA-N 0 1 264.369 3.667 20 0 CHADMN CC[C@H]1C[C@@]1(NCc1ccccn1)c1cccc(C)c1 ZINC000500530067 1121297504 /nfs/dbraw/zinc/29/75/04/1121297504.db2.gz JWPSYGADERZPNV-YJBOKZPZSA-N 0 1 266.388 3.805 20 0 CHADMN Nc1nc2ccccc2n1-c1c(Cl)ccc(F)c1F ZINC001213942894 1121300982 /nfs/dbraw/zinc/30/09/82/1121300982.db2.gz LFNGUCYKXITNDV-UHFFFAOYSA-N 0 1 279.677 3.539 20 0 CHADMN COc1ccc(CN2C[C@H](C)[C@H]2c2ccccc2)cc1OC ZINC000093867531 1128976337 /nfs/dbraw/zinc/97/63/37/1128976337.db2.gz ZJAHJHCISQMVDF-LIRRHRJNSA-N 0 1 297.398 3.897 20 0 CHADMN CC(C)[C@@H](C)[N@@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000432736825 1121302936 /nfs/dbraw/zinc/30/29/36/1121302936.db2.gz GSSRXIHKRHUMJO-SNVBAGLBSA-N 0 1 266.385 3.912 20 0 CHADMN C[C@@H](NCc1ccc(CO)c(F)c1)c1ccc(Cl)s1 ZINC000178561840 1121307522 /nfs/dbraw/zinc/30/75/22/1121307522.db2.gz ZBGGPNMBHQDXCK-SECBINFHSA-N 0 1 299.798 3.884 20 0 CHADMN CC[C@H](NC[C@@H](O)c1ccc(C)o1)c1cc(F)ccc1F ZINC000766136148 1121307444 /nfs/dbraw/zinc/30/74/44/1121307444.db2.gz BNPREEPCIWWPSZ-LSDHHAIUSA-N 0 1 295.329 3.641 20 0 CHADMN CCC(CC)(CC)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000675465089 1121308015 /nfs/dbraw/zinc/30/80/15/1121308015.db2.gz VTLWYUGXTRGSQG-UHFFFAOYSA-N 0 1 287.407 3.704 20 0 CHADMN CC(C)(C)c1n[nH]c(SCc2c(F)cccc2F)n1 ZINC000182386123 1121308312 /nfs/dbraw/zinc/30/83/12/1121308312.db2.gz SHLYSJQDWHIZSE-UHFFFAOYSA-N 0 1 283.347 3.673 20 0 CHADMN CC(C)(C)c1nc(SCc2c(F)cccc2F)n[nH]1 ZINC000182386123 1121308322 /nfs/dbraw/zinc/30/83/22/1121308322.db2.gz SHLYSJQDWHIZSE-UHFFFAOYSA-N 0 1 283.347 3.673 20 0 CHADMN COc1ccccc1CCCN1CCn2cccc2[C@@H]1C ZINC000182384637 1121308619 /nfs/dbraw/zinc/30/86/19/1121308619.db2.gz MBQWSKCCPZGAPD-HNNXBMFYSA-N 0 1 284.403 3.506 20 0 CHADMN COCCCN(C)Cc1ccc(F)c(Cl)c1Cl ZINC000432743493 1121312637 /nfs/dbraw/zinc/31/26/37/1121312637.db2.gz VROSBTPILFPPEL-UHFFFAOYSA-N 0 1 280.170 3.601 20 0 CHADMN C[C@@H](c1ccc(C(C)(C)C)cc1)N1CCO[C@@H](C)C1 ZINC000500576249 1121313249 /nfs/dbraw/zinc/31/32/49/1121313249.db2.gz SWDRKWOZSNHBOZ-KBPBESRZSA-N 0 1 261.409 3.766 20 0 CHADMN Fc1ccc2nc(CN3CCC4(CCC4)C3)sc2c1 ZINC000432749588 1121319495 /nfs/dbraw/zinc/31/94/95/1121319495.db2.gz IPKFNQDFMVPRNB-UHFFFAOYSA-N 0 1 276.380 3.811 20 0 CHADMN Cc1ccc([C@@H]2CCC[C@@H]2N(C)Cc2cocn2)cc1 ZINC000432749412 1121319788 /nfs/dbraw/zinc/31/97/88/1121319788.db2.gz UNBCZRXBRSDJCY-IRXDYDNUSA-N 0 1 270.376 3.751 20 0 CHADMN Cc1ccc(CNCc2ccc(OC(C)(C)C)cc2)nc1 ZINC000675551433 1121326797 /nfs/dbraw/zinc/32/67/97/1121326797.db2.gz CXBKKIGQWSROEA-UHFFFAOYSA-N 0 1 284.403 3.857 20 0 CHADMN Fc1ccc2c(c1)nccc2N[C@@H]1CCC(F)(F)C1 ZINC000675638945 1121335963 /nfs/dbraw/zinc/33/59/63/1121335963.db2.gz SSTGWHGKWKODMX-SNVBAGLBSA-N 0 1 266.266 3.974 20 0 CHADMN C[C@H]1CC[C@@H](N(C)Cc2ncc(C(C)(C)C)o2)C1 ZINC000429580739 1121342196 /nfs/dbraw/zinc/34/21/96/1121342196.db2.gz VZLSICKALGZSMS-NWDGAFQWSA-N 0 1 250.386 3.593 20 0 CHADMN C/C(=C\c1ccccc1)CN1CCc2ccc(O)cc2C1 ZINC000509534266 1121342496 /nfs/dbraw/zinc/34/24/96/1121342496.db2.gz WTWKFXNOLAFBBU-RVDMUPIBSA-N 0 1 279.383 3.854 20 0 CHADMN COc1ccc2c(c1F)CC[C@H]2NCc1ccoc1C ZINC000675691984 1121343074 /nfs/dbraw/zinc/34/30/74/1121343074.db2.gz MIIYEXQFEAYZQC-CQSZACIVSA-N 0 1 275.323 3.513 20 0 CHADMN Cc1ccc(NC2=CCN(Cc3ccccc3)CC2)c(F)n1 ZINC001175505013 1121352326 /nfs/dbraw/zinc/35/23/26/1121352326.db2.gz JEGQJIIXGZNLJB-UHFFFAOYSA-N 0 1 297.377 3.731 20 0 CHADMN Cc1occc1CN[C@H](C)c1cc(F)cc(F)c1 ZINC000675779888 1121356385 /nfs/dbraw/zinc/35/63/85/1121356385.db2.gz RAOBKPBGQBZBCT-SECBINFHSA-N 0 1 251.276 3.717 20 0 CHADMN C[C@@H](N[C@H]1CSCc2ccccc21)c1ccoc1 ZINC000675783071 1121361669 /nfs/dbraw/zinc/36/16/69/1121361669.db2.gz SVKAXVLVMJUXSC-ABAIWWIYSA-N 0 1 259.374 3.918 20 0 CHADMN CCn1cc([C@H](C)N[C@@H]2CSCc3ccccc32)cn1 ZINC000675782156 1121361956 /nfs/dbraw/zinc/36/19/56/1121361956.db2.gz CBYZAJVZSOJFMG-BLLLJJGKSA-N 0 1 287.432 3.542 20 0 CHADMN CSc1cc(Nc2c3cn[nH]c3ccc2C)ccn1 ZINC001175522901 1121362262 /nfs/dbraw/zinc/36/22/62/1121362262.db2.gz ABQPAYUZYBCLNU-UHFFFAOYSA-N 0 1 270.361 3.732 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cnccc1OC(F)F ZINC001175523894 1121362650 /nfs/dbraw/zinc/36/26/50/1121362650.db2.gz PWAAJUFAPIJQSK-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(Cl)c2nccn2c1 ZINC001175523408 1121362713 /nfs/dbraw/zinc/36/27/13/1121362713.db2.gz JOPXTWCVBRADNC-UHFFFAOYSA-N 0 1 297.749 3.916 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@H](C)c1ccccc1C ZINC000675808685 1121364218 /nfs/dbraw/zinc/36/42/18/1121364218.db2.gz QQAIIJMTAOOVRN-OAHLLOKOSA-N 0 1 284.403 3.866 20 0 CHADMN CCc1cccnc1Nc1c2cn[nH]c2ccc1C ZINC001175523764 1121364233 /nfs/dbraw/zinc/36/42/33/1121364233.db2.gz MFZXZYFRVMRLOC-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2oncc2c1 ZINC001175525460 1121364762 /nfs/dbraw/zinc/36/47/62/1121364762.db2.gz CZXISUHOACICQC-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN COc1ccc(Br)c(CN2CCC[C@H](C)C2)c1 ZINC000087797765 1121392320 /nfs/dbraw/zinc/39/23/20/1121392320.db2.gz QRXHIVNSWNBXQG-NSHDSACASA-N 0 1 298.224 3.690 20 0 CHADMN COc1ccc(C)c(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175525893 1121365461 /nfs/dbraw/zinc/36/54/61/1121365461.db2.gz KFGBIIIRBICTRU-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN CC[C@H](NCc1ccc(O)cc1)c1cc(F)ccc1F ZINC000675802113 1121365536 /nfs/dbraw/zinc/36/55/36/1121365536.db2.gz JELWJTJJVOAFEO-INIZCTEOSA-N 0 1 277.314 3.911 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(C(C)(C)C)nn1C ZINC001175524812 1121365674 /nfs/dbraw/zinc/36/56/74/1121365674.db2.gz XPWGMFZILCGWFL-UHFFFAOYSA-N 0 1 283.379 3.646 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1c(O)cc(F)cc1F ZINC001175525670 1121365727 /nfs/dbraw/zinc/36/57/27/1121365727.db2.gz FOONDXLHZZVLIQ-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2ncoc2c1 ZINC001175525679 1121366594 /nfs/dbraw/zinc/36/65/94/1121366594.db2.gz FUSLEVDUJISFKB-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN CC(=O)c1cc(Nc2c3cn[nH]c3ccc2C)ccc1F ZINC001175525442 1121366635 /nfs/dbraw/zinc/36/66/35/1121366635.db2.gz CDFPRKXKEQYNDL-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc(-n2cccn2)c1 ZINC001175526892 1121367948 /nfs/dbraw/zinc/36/79/48/1121367948.db2.gz ZTTKQHKFOVRQFN-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN COc1ccc(C)cc1CNCc1ccc(C(F)F)nc1 ZINC000631043216 1128981097 /nfs/dbraw/zinc/98/10/97/1128981097.db2.gz OIOOCUAQJYOKDI-UHFFFAOYSA-N 0 1 292.329 3.626 20 0 CHADMN COC(=O)c1cc(C)cc(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175527652 1121370852 /nfs/dbraw/zinc/37/08/52/1121370852.db2.gz UDHHXGPSSDFTSV-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN COCc1cccc(CNCc2ccc(C)cc2F)c1 ZINC000631042672 1128981111 /nfs/dbraw/zinc/98/11/11/1128981111.db2.gz KYZBWYARGAPUEZ-UHFFFAOYSA-N 0 1 273.351 3.570 20 0 CHADMN Cc1nnc(CN2CCC[C@H](C3CCCCC3)C2)s1 ZINC000662201255 1121371546 /nfs/dbraw/zinc/37/15/46/1121371546.db2.gz LLOUVDDUOOPEKQ-AWEZNQCLSA-N 0 1 279.453 3.639 20 0 CHADMN Cc1cnc(CN2CCC[C@@H](C3CCCCC3)C2)o1 ZINC000662203835 1121377467 /nfs/dbraw/zinc/37/74/67/1121377467.db2.gz ZDOLOXPVZYXVCF-OAHLLOKOSA-N 0 1 262.397 3.775 20 0 CHADMN CCc1ccc(N[C@H](c2nnc[nH]2)c2ccccc2)cc1C ZINC000675899087 1121377755 /nfs/dbraw/zinc/37/77/55/1121377755.db2.gz BVOYZLNFLRFHGN-KRWDZBQOSA-N 0 1 292.386 3.877 20 0 CHADMN CCc1nnc([C@H](C)N2CCC[C@H](C3CCCCC3)C2)o1 ZINC000662203519 1121377942 /nfs/dbraw/zinc/37/79/42/1121377942.db2.gz XYNRTEDARMZNLX-ZFWWWQNUSA-N 0 1 291.439 3.985 20 0 CHADMN CC[C@@H](N[C@@H]1CCOc2c(OC)cccc21)c1ccncc1 ZINC000675900800 1121379807 /nfs/dbraw/zinc/37/98/07/1121379807.db2.gz PAHOGWSDOWKMAZ-HZPDHXFCSA-N 0 1 298.386 3.655 20 0 CHADMN CC[C@@H](N[C@H]1COc2c1cccc2Cl)c1ccncc1 ZINC000675900639 1121379885 /nfs/dbraw/zinc/37/98/85/1121379885.db2.gz GHDAVQOJXUXZNV-CABCVRRESA-N 0 1 288.778 3.909 20 0 CHADMN CCCOc1cccc(-n2c(N)nc3c2cccc3C)c1 ZINC001175598253 1121380064 /nfs/dbraw/zinc/38/00/64/1121380064.db2.gz FJQSOJVOJPDVDW-UHFFFAOYSA-N 0 1 281.359 3.705 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)o1 ZINC000675881694 1121380144 /nfs/dbraw/zinc/38/01/44/1121380144.db2.gz MRBCKUDUQFLOFM-GHMZBOCLSA-N 0 1 299.374 3.836 20 0 CHADMN CCOc1ccc(CNCc2ccc(C(F)F)nc2)cc1 ZINC000631053961 1128981993 /nfs/dbraw/zinc/98/19/93/1128981993.db2.gz PNWMJOGYMLVASD-UHFFFAOYSA-N 0 1 292.329 3.708 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000509536923 1121389649 /nfs/dbraw/zinc/38/96/49/1121389649.db2.gz BXVZDWCTJUVYPG-AWEZNQCLSA-N 0 1 269.392 3.699 20 0 CHADMN Cc1cc(NC=CC(C)(C)C)n(-c2ccncc2)n1 ZINC001175573171 1121393182 /nfs/dbraw/zinc/39/31/82/1121393182.db2.gz VFMMXPPQEFOFDS-JXMROGBWSA-N 0 1 256.353 3.547 20 0 CHADMN C[C@@H]1CCN(Cc2n[nH]c(C(C)(C)C)n2)c2ccccc21 ZINC000432826267 1121393631 /nfs/dbraw/zinc/39/36/31/1121393631.db2.gz XKDANHPHXWAWNZ-GFCCVEGCSA-N 0 1 284.407 3.616 20 0 CHADMN C[C@@H]1CN(CC2(C)CCC2)C[C@H](c2ccc(F)cc2)O1 ZINC000432828528 1121393974 /nfs/dbraw/zinc/39/39/74/1121393974.db2.gz KYADRXOUAVCERF-CZUORRHYSA-N 0 1 277.383 3.778 20 0 CHADMN CN1CCC=C(Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001175576198 1121394164 /nfs/dbraw/zinc/39/41/64/1121394164.db2.gz FKNDATWPFCKJNT-UHFFFAOYSA-N 0 1 290.716 3.990 20 0 CHADMN Cc1cc(NC2=CCCN(C)C2)c(F)cc1Br ZINC001175576428 1121394575 /nfs/dbraw/zinc/39/45/75/1121394575.db2.gz KJZYQWOYDOZKDR-UHFFFAOYSA-N 0 1 299.187 3.528 20 0 CHADMN Cc1c(Cl)cc(NC2=CCCN(C)C2)c(O)c1Cl ZINC001175578514 1121397290 /nfs/dbraw/zinc/39/72/90/1121397290.db2.gz LHAAHPHJWMVWON-UHFFFAOYSA-N 0 1 287.190 3.639 20 0 CHADMN Cc1ccc(OC(F)(F)F)cc1NC1=CCCN(C)C1 ZINC001175580682 1121399072 /nfs/dbraw/zinc/39/90/72/1121399072.db2.gz PTLRQDJSSIQUKC-UHFFFAOYSA-N 0 1 286.297 3.525 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)N1CCN(C)c2ncccc2C1 ZINC001175620424 1121399743 /nfs/dbraw/zinc/39/97/43/1121399743.db2.gz CPVWIHRMEORPJJ-KRWDZBQOSA-N 0 1 299.393 3.624 20 0 CHADMN CCc1cc(N[C@@H](c2nnc[nH]2)c2ccccc2)ccc1F ZINC000676043903 1121400360 /nfs/dbraw/zinc/40/03/60/1121400360.db2.gz YNZNRDXINXPZNA-MRXNPFEDSA-N 0 1 296.349 3.708 20 0 CHADMN Cc1ccc(C)c([C@@H](C)NCc2cccc3c2OCCO3)c1 ZINC000078995186 1128982912 /nfs/dbraw/zinc/98/29/12/1128982912.db2.gz CUIYWWLFXUJKEA-OAHLLOKOSA-N 0 1 297.398 3.925 20 0 CHADMN Cc1[nH]nc2ccc(Nc3c[nH]c(=O)c4ccccc34)cc12 ZINC001175693475 1121414518 /nfs/dbraw/zinc/41/45/18/1121414518.db2.gz ACEXMBKGSHAFLM-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1[nH]nc2ccc(Nc3nc(Cl)cnc3Cl)cc12 ZINC001175694087 1121415056 /nfs/dbraw/zinc/41/50/56/1121415056.db2.gz MJMUFPLHYFHQJF-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN CC[C@H]1CO[C@H](C)C[N@H+]1CCCOc1cc(C)cc(C)c1 ZINC000676227699 1121415240 /nfs/dbraw/zinc/41/52/40/1121415240.db2.gz OJBWTRVMHJKYSE-SJORKVTESA-N 0 1 291.435 3.572 20 0 CHADMN CC[C@H]1CO[C@H](C)CN1CCCOc1cc(C)cc(C)c1 ZINC000676227699 1121415244 /nfs/dbraw/zinc/41/52/44/1121415244.db2.gz OJBWTRVMHJKYSE-SJORKVTESA-N 0 1 291.435 3.572 20 0 CHADMN COc1cnc(Cl)c(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175695040 1121415313 /nfs/dbraw/zinc/41/53/13/1121415313.db2.gz VTMJUEYDCYUSBZ-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN COc1ccc(Nc2ccc3n[nH]c(C)c3c2)c(Cl)n1 ZINC001175696107 1121415867 /nfs/dbraw/zinc/41/58/67/1121415867.db2.gz RUNAUUUAYUILCV-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1[nH]nc2ccc(N(c3ccc(N)cn3)C3CCC3)cc12 ZINC001175698832 1121416460 /nfs/dbraw/zinc/41/64/60/1121416460.db2.gz HDIYVNZDLNSFSO-UHFFFAOYSA-N 0 1 293.374 3.539 20 0 CHADMN Cc1cn2cccc(Nc3ccc4n[nH]c(C)c4c3)c2n1 ZINC001175696102 1121416992 /nfs/dbraw/zinc/41/69/92/1121416992.db2.gz ROMULWHYSJJDKV-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN COc1ccc(C)cc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175699815 1121417645 /nfs/dbraw/zinc/41/76/45/1121417645.db2.gz SJCSSIOHMWOLNI-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4nsnc43)cc21 ZINC001175699972 1121418033 /nfs/dbraw/zinc/41/80/33/1121418033.db2.gz ZBQOSIJZJUHJFY-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN COc1cc(C)ccc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175699755 1121418103 /nfs/dbraw/zinc/41/81/03/1121418103.db2.gz RACFXABTOIZOSX-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1[nH]nc2ccc(Nc3nccnc3C(C)C)cc21 ZINC001175699936 1121418383 /nfs/dbraw/zinc/41/83/83/1121418383.db2.gz XGYPHHUYHPOPBL-UHFFFAOYSA-N 0 1 267.336 3.528 20 0 CHADMN COc1cc(F)ccc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175700591 1121418440 /nfs/dbraw/zinc/41/84/40/1121418440.db2.gz PGNPPTCYRHMVPI-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN CC(=O)c1cc(Nc2ccc3n[nH]c(C)c3c2)cnc1C ZINC001175699913 1121418459 /nfs/dbraw/zinc/41/84/59/1121418459.db2.gz WDKYABILIIVUKO-UHFFFAOYSA-N 0 1 280.331 3.521 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc(C4OCCO4)c3)cc21 ZINC001175700705 1121418917 /nfs/dbraw/zinc/41/89/17/1121418917.db2.gz SSQCEHGFHJFWFB-UHFFFAOYSA-N 0 1 295.342 3.660 20 0 CHADMN COc1ccc(Nc2ccc3n[nH]c(C)c3c2)c(C(C)=O)c1 ZINC001175701786 1121418965 /nfs/dbraw/zinc/41/89/65/1121418965.db2.gz JXTDEURCQAYISM-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN COc1cccc(Nc2ccc3n[nH]c(C)c3c2)c1C ZINC001175700744 1121419178 /nfs/dbraw/zinc/41/91/78/1121419178.db2.gz VLTZJHXEEVYACL-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4oncc4c3)cc12 ZINC001175700722 1121419700 /nfs/dbraw/zinc/41/97/00/1121419700.db2.gz UJUTVSQSPBOHBI-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(C)c(N)cc3C)cc12 ZINC001175700773 1121419844 /nfs/dbraw/zinc/41/98/44/1121419844.db2.gz XEHVDBVBCCXPPW-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN Clc1cccc(NCc2[nH]nc3ccccc32)c1 ZINC000676316236 1121422403 /nfs/dbraw/zinc/42/24/03/1121422403.db2.gz QFCAUXOIRIBFOJ-UHFFFAOYSA-N 0 1 257.724 3.828 20 0 CHADMN Cc1nc2ccc(NCc3[nH]nc4ccccc43)cc2o1 ZINC000676317690 1121423096 /nfs/dbraw/zinc/42/30/96/1121423096.db2.gz LNNGWUMAEOBMAL-UHFFFAOYSA-N 0 1 278.315 3.625 20 0 CHADMN c1nc2ccc(NCc3[nH]nc4ccccc43)cc2s1 ZINC000676320428 1121423127 /nfs/dbraw/zinc/42/31/27/1121423127.db2.gz UZTPTLIETQGNGV-UHFFFAOYSA-N 0 1 280.356 3.785 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(F)c(F)c3)ccc12 ZINC001175661581 1121424112 /nfs/dbraw/zinc/42/41/12/1121424112.db2.gz NMQDWOSMSBINHV-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1[nH]nc2cc(Nc3scnc3C3CC3)ccc12 ZINC001175661231 1121424722 /nfs/dbraw/zinc/42/47/22/1121424722.db2.gz FZKRTFFWQNTEIH-UHFFFAOYSA-N 0 1 270.361 3.949 20 0 CHADMN Cc1cc(Nc2ccc3c(C)[nH]nc3c2)n(C2CCC2)n1 ZINC001175660651 1121424916 /nfs/dbraw/zinc/42/49/16/1121424916.db2.gz UHTJBYHXQXZNPZ-UHFFFAOYSA-N 0 1 281.363 3.845 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4nn(C)cc43)ccc12 ZINC001175662347 1121425810 /nfs/dbraw/zinc/42/58/10/1121425810.db2.gz HXYYNMVGJZMQJA-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN COC(=O)c1cc(Nc2ccc3c(C)[nH]nc3c2)ccc1F ZINC001175662430 1121425905 /nfs/dbraw/zinc/42/59/05/1121425905.db2.gz LQXGVCLQYBCXHG-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN CCCc1ccnc(Nc2ccc3c(c2)n[nH]c3C)c1 ZINC001175661762 1121426192 /nfs/dbraw/zinc/42/61/92/1121426192.db2.gz QMUNSMGCHBOEBM-UHFFFAOYSA-N 0 1 266.348 3.962 20 0 CHADMN COc1c(F)cccc1CN(C)CCc1ccccc1F ZINC001143536704 1121426480 /nfs/dbraw/zinc/42/64/80/1121426480.db2.gz FKBPMDLUMZXVRN-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccccc3P(C)(C)=O)ccc12 ZINC001175662286 1121426524 /nfs/dbraw/zinc/42/65/24/1121426524.db2.gz DAPCYSOHQUSYJJ-UHFFFAOYSA-N 0 1 299.314 3.863 20 0 CHADMN Cc1[nH]nc2cc(-n3ccc4cc(N)c(F)cc43)ccc12 ZINC001175664166 1121427150 /nfs/dbraw/zinc/42/71/50/1121427150.db2.gz VZHMERNKDVLOQP-UHFFFAOYSA-N 0 1 280.306 3.537 20 0 CHADMN Cc1[nH]nc2cc(N3CCCc4cc(N)ccc43)ccc12 ZINC001175665367 1121427495 /nfs/dbraw/zinc/42/74/95/1121427495.db2.gz LFJSELYFZGXVIJ-UHFFFAOYSA-N 0 1 278.359 3.538 20 0 CHADMN COc1cc(F)cc(Nc2ccc3c(C)[nH]nc3c2)c1 ZINC001175663041 1121427570 /nfs/dbraw/zinc/42/75/70/1121427570.db2.gz PXCUSRGGNXUNEU-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4c3COC4)ccc21 ZINC001175666484 1121428124 /nfs/dbraw/zinc/42/81/24/1121428124.db2.gz WVZLBXDSOOIUSU-UHFFFAOYSA-N 0 1 265.316 3.645 20 0 CHADMN Cc1[nH]nc2cc(N(C)c3cc(Cl)ccc3N)ccc12 ZINC001175662848 1121428216 /nfs/dbraw/zinc/42/82/16/1121428216.db2.gz GPRQISBHXAGLAU-UHFFFAOYSA-N 0 1 286.766 3.875 20 0 CHADMN c1ccc2sc([C@@H]3CCCN3[C@@H]3CCCOC3)nc2c1 ZINC000676369149 1121428470 /nfs/dbraw/zinc/42/84/70/1121428470.db2.gz BXOBWRSULZQHIY-OCCSQVGLSA-N 0 1 288.416 3.612 20 0 CHADMN CC(=O)Oc1ccc(F)c(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175703256 1121433749 /nfs/dbraw/zinc/43/37/49/1121433749.db2.gz ZIGMWPUHSNILQH-UHFFFAOYSA-N 0 1 299.305 3.679 20 0 CHADMN Cc1[nH]nc2ccc(Nc3nc(C(C)(C)C)ns3)cc21 ZINC001175692625 1121434681 /nfs/dbraw/zinc/43/46/81/1121434681.db2.gz AWIATZFWEYXVJY-UHFFFAOYSA-N 0 1 287.392 3.764 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@H](CF)C1 ZINC001175716496 1121436791 /nfs/dbraw/zinc/43/67/91/1121436791.db2.gz VMRGZGCABSCQHI-NXEZZACHSA-N 0 1 259.727 3.832 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1ccc(C(F)F)nc1 ZINC000631034999 1128980351 /nfs/dbraw/zinc/98/03/51/1128980351.db2.gz XXERYLVDVBEDSE-LLVKDONJSA-N 0 1 292.329 3.879 20 0 CHADMN Cc1coc(CN2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000893914062 1121438719 /nfs/dbraw/zinc/43/87/19/1121438719.db2.gz AYVPKYCJGMDFQE-UHFFFAOYSA-N 0 1 269.344 3.583 20 0 CHADMN C[C@@H]1C[C@H](N(C)Cc2c(Cl)cccc2Cl)CCO1 ZINC000420907091 1121438780 /nfs/dbraw/zinc/43/87/80/1121438780.db2.gz USGYHBSWWUNKSY-GHMZBOCLSA-N 0 1 288.218 3.993 20 0 CHADMN FC(F)(F)c1cnn2cc(N=C3CCCCC3)cnc12 ZINC001175752268 1121440448 /nfs/dbraw/zinc/44/04/48/1121440448.db2.gz SFBIXGODEOGTCG-UHFFFAOYSA-N 0 1 282.269 3.618 20 0 CHADMN FC[C@@H]1CCCN(CCc2c(F)cccc2Cl)C1 ZINC001175732982 1121440502 /nfs/dbraw/zinc/44/05/02/1121440502.db2.gz JOKALGLCETYNCU-NSHDSACASA-N 0 1 273.754 3.703 20 0 CHADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C1(F)CCCC1 ZINC000773518250 1121440598 /nfs/dbraw/zinc/44/05/98/1121440598.db2.gz RUFKYUSSHZPZOF-UHFFFAOYSA-N 0 1 297.280 3.721 20 0 CHADMN Cc1ncoc1CN([C@@H](C)c1ccccc1)C1CC1 ZINC000893927548 1121441512 /nfs/dbraw/zinc/44/15/12/1121441512.db2.gz AOOUGQRYLJGKSO-ZDUSSCGKSA-N 0 1 256.349 3.709 20 0 CHADMN Cc1n[nH]c(CN(C)Cc2cccc3ccccc32)c1C ZINC000893923574 1121441522 /nfs/dbraw/zinc/44/15/22/1121441522.db2.gz MWIJTSXEJAEMAO-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN Cc1n[nH]c(CN(C)[C@@H](C)c2ccc(C)cc2)c1C ZINC000893931539 1121441656 /nfs/dbraw/zinc/44/16/56/1121441656.db2.gz QBSHNCBQZQOHIJ-AWEZNQCLSA-N 0 1 257.381 3.528 20 0 CHADMN CC(C)c1ccc([C@@H](C)Cc2nc(C3(N)CCC3)no2)cc1 ZINC000261689906 1121442829 /nfs/dbraw/zinc/44/28/29/1121442829.db2.gz HJLVYULSUKSJSL-ZDUSSCGKSA-N 0 1 299.418 3.877 20 0 CHADMN CC(C)c1ccc([C@H](C)Cc2nc(C3(N)CCC3)no2)cc1 ZINC000261689904 1121443534 /nfs/dbraw/zinc/44/35/34/1121443534.db2.gz HJLVYULSUKSJSL-CYBMUJFWSA-N 0 1 299.418 3.877 20 0 CHADMN Fc1cc2c(cc1F)CN(C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)CC2 ZINC001175740985 1121444921 /nfs/dbraw/zinc/44/49/21/1121444921.db2.gz DSFJEEXHKSACAA-YSCVYTRNSA-N 0 1 299.311 3.614 20 0 CHADMN Cc1[nH]nc(CN(Cc2ccccc2F)C(C)C)c1C ZINC000893945944 1121445411 /nfs/dbraw/zinc/44/54/11/1121445411.db2.gz OYHHIRDCZRJTEO-UHFFFAOYSA-N 0 1 275.371 3.576 20 0 CHADMN CCCN(Cc1ocnc1C)[C@H](C)c1ccccc1OC ZINC000893949687 1121446236 /nfs/dbraw/zinc/44/62/36/1121446236.db2.gz PJFYHYXWMZURAO-CQSZACIVSA-N 0 1 288.391 3.965 20 0 CHADMN Oc1ccc2c(c1)[C@H](NCc1ccc(C(F)F)nc1)CC2 ZINC000631175374 1128989792 /nfs/dbraw/zinc/98/97/92/1128989792.db2.gz OBHAKDVMPJNIKH-CQSZACIVSA-N 0 1 290.313 3.502 20 0 CHADMN Cc1ncoc1CN(C)CCCOc1cccc(Cl)c1 ZINC000893967094 1121447809 /nfs/dbraw/zinc/44/78/09/1121447809.db2.gz HTLHMOVJYHBTRW-UHFFFAOYSA-N 0 1 294.782 3.537 20 0 CHADMN Brc1ncccc1N=C1CCCCC1 ZINC001175752967 1121452198 /nfs/dbraw/zinc/45/21/98/1121452198.db2.gz SXHOWLDIQWSTCB-UHFFFAOYSA-N 0 1 253.143 3.714 20 0 CHADMN CCc1ccc(CNCc2ccc(Cl)cn2)s1 ZINC000707326007 1121456142 /nfs/dbraw/zinc/45/61/42/1121456142.db2.gz DJWMDURIPKCSPU-UHFFFAOYSA-N 0 1 266.797 3.649 20 0 CHADMN Cc1ncoc1CN1CCC(OC2CCC(C)CC2)CC1 ZINC000894016364 1121456251 /nfs/dbraw/zinc/45/62/51/1121456251.db2.gz CSVMOHQGYDGVJZ-UHFFFAOYSA-N 0 1 292.423 3.543 20 0 CHADMN CCCC[N@@H+](CC)Cc1cc(F)cc(F)c1OC ZINC001143550688 1121468330 /nfs/dbraw/zinc/46/83/30/1121468330.db2.gz MDJHTNGLPOPTRF-UHFFFAOYSA-N 0 1 257.324 3.595 20 0 CHADMN CCC[C@H]1CCCN(Cc2cccnc2Cl)C1 ZINC000708502408 1121468477 /nfs/dbraw/zinc/46/84/77/1121468477.db2.gz LKPQDWWCYGRCDR-LBPRGKRZSA-N 0 1 252.789 3.747 20 0 CHADMN Cc1cncc(CN(C)Cc2cccc(C)c2C)c1 ZINC000428729278 1121472305 /nfs/dbraw/zinc/47/23/05/1121472305.db2.gz HLLJUOKEMXCSCF-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN Cc1csc([C@@H](C)N[C@@H](C)COc2ccccc2)n1 ZINC000710990079 1121475949 /nfs/dbraw/zinc/47/59/49/1121475949.db2.gz QUEJOEBUDDFGKZ-WCQYABFASA-N 0 1 276.405 3.570 20 0 CHADMN C[C@@H]1CN(Cc2csc(Cl)c2Cl)[C@@H](C)CN1C ZINC000432922645 1121481563 /nfs/dbraw/zinc/48/15/63/1121481563.db2.gz AWEMYSRNHLFOLO-BDAKNGLRSA-N 0 1 293.263 3.579 20 0 CHADMN Cc1cc(-c2noc([C@H]3CC[C@H](C)C3)n2)cc2nc[nH]c21 ZINC000545725015 1121481633 /nfs/dbraw/zinc/48/16/33/1121481633.db2.gz WPCCWOQZYHSNGA-ONGXEEELSA-N 0 1 282.347 3.825 20 0 CHADMN CCCc1nc(C)c(CNCc2csc(C)c2C)o1 ZINC000631141683 1128987150 /nfs/dbraw/zinc/98/71/50/1128987150.db2.gz HEPZFMZNZDFRNN-UHFFFAOYSA-N 0 1 278.421 3.904 20 0 CHADMN COc1cc(CN2CCC[C@H](C)[C@H]2C)cc(Cl)c1OC ZINC000512583539 1121482468 /nfs/dbraw/zinc/48/24/68/1121482468.db2.gz SWULXMOWGSXJBM-NWDGAFQWSA-N 0 1 297.826 3.978 20 0 CHADMN Cc1cc(C)cc(NC(=O)c2cn[nH]c2-c2ccccc2)c1 ZINC000029001386 1121483447 /nfs/dbraw/zinc/48/34/47/1121483447.db2.gz RULAZFSCOCHFKZ-UHFFFAOYSA-N 0 1 291.354 3.946 20 0 CHADMN CC(C)Cc1noc(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)n1 ZINC000051765553 1121484564 /nfs/dbraw/zinc/48/45/64/1121484564.db2.gz IEKMMWLPRDUKLX-ZNMIVQPWSA-N 0 1 291.439 3.669 20 0 CHADMN CC(C)Cc1noc(CN2CC[C@H](C)[C@H]3CCCC[C@@H]32)n1 ZINC000051765553 1121484567 /nfs/dbraw/zinc/48/45/67/1121484567.db2.gz IEKMMWLPRDUKLX-ZNMIVQPWSA-N 0 1 291.439 3.669 20 0 CHADMN CCCCC[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)C(C)C ZINC000432940045 1121488700 /nfs/dbraw/zinc/48/87/00/1121488700.db2.gz VZCAAULEKDFMLZ-UHFFFAOYSA-N 0 1 266.433 3.503 20 0 CHADMN CCCCCN(Cc1nnc(C(C)(C)C)[nH]1)C(C)C ZINC000432940045 1121488701 /nfs/dbraw/zinc/48/87/01/1121488701.db2.gz VZCAAULEKDFMLZ-UHFFFAOYSA-N 0 1 266.433 3.503 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c(Cl)c1OC ZINC000512609706 1121494341 /nfs/dbraw/zinc/49/43/41/1121494341.db2.gz PIMGRTGCNUZYIK-RYUDHWBXSA-N 0 1 297.826 3.978 20 0 CHADMN COc1ccc(CN2CCC[C@H](C)[C@@H]2C)c(Cl)c1OC ZINC000512609706 1121494345 /nfs/dbraw/zinc/49/43/45/1121494345.db2.gz PIMGRTGCNUZYIK-RYUDHWBXSA-N 0 1 297.826 3.978 20 0 CHADMN CCC(CC)n1ccc(CN2CC[C@H]3CC[C@@H](C2)S3)n1 ZINC000625777022 1121495689 /nfs/dbraw/zinc/49/56/89/1121495689.db2.gz WWEVNBTWMFKNHJ-CVEARBPZSA-N 0 1 293.480 3.714 20 0 CHADMN CCOC[C@@H]1CCCN([C@H](C)c2c(F)cccc2F)C1 ZINC000246332913 1121497660 /nfs/dbraw/zinc/49/76/60/1121497660.db2.gz IBPYPOCUKAAQIK-CHWSQXEVSA-N 0 1 283.362 3.774 20 0 CHADMN CCc1onc(C)c1CNCc1cccc(Cl)c1C ZINC000922980961 1121505745 /nfs/dbraw/zinc/50/57/45/1121505745.db2.gz ATRZHJGCYXTMRN-UHFFFAOYSA-N 0 1 278.783 3.797 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cnc3ccccn23)c1 ZINC000429284820 1121509231 /nfs/dbraw/zinc/50/92/31/1121509231.db2.gz LRUQRPZDGYKTSC-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2ncccc2C)c1 ZINC000429289374 1121511802 /nfs/dbraw/zinc/51/18/02/1121511802.db2.gz PTYJPINIBBFQRR-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN Cc1ccc([C@@H](NCc2ccc3c(c2)OCO3)C2CCC2)o1 ZINC000543605036 1121513727 /nfs/dbraw/zinc/51/37/27/1121513727.db2.gz IQYWBMQBLBULEH-SFHVURJKSA-N 0 1 299.370 3.948 20 0 CHADMN CC1(C)CC(=Nc2ccc(C(N)=O)cc2O)CC(C)(C)C1 ZINC001175947297 1121515709 /nfs/dbraw/zinc/51/57/09/1121515709.db2.gz LZIHWZAQXNDBQC-UHFFFAOYSA-N 0 1 288.391 3.633 20 0 CHADMN CC(C)(C)c1cnc(CNC2([C@@H]3CCCCO3)CC2)s1 ZINC000923031939 1121516124 /nfs/dbraw/zinc/51/61/24/1121516124.db2.gz ZWXHQYOXXLLRGY-LBPRGKRZSA-N 0 1 294.464 3.632 20 0 CHADMN Clc1cscc1CNC1([C@@H]2CCCCO2)CC1 ZINC000923028867 1121516964 /nfs/dbraw/zinc/51/69/64/1121516964.db2.gz CCXYGRADGHYGBL-LBPRGKRZSA-N 0 1 271.813 3.593 20 0 CHADMN CCOc1ccc(Nc2ccc3nn[nH]c3c2)cc1Cl ZINC001176004955 1121520243 /nfs/dbraw/zinc/52/02/43/1121520243.db2.gz QXQRTVCLJBNPGP-UHFFFAOYSA-N 0 1 288.738 3.754 20 0 CHADMN CCOc1ccc(Nc2ccc3n[nH]nc3c2)cc1Cl ZINC001176004955 1121520246 /nfs/dbraw/zinc/52/02/46/1121520246.db2.gz QXQRTVCLJBNPGP-UHFFFAOYSA-N 0 1 288.738 3.754 20 0 CHADMN CSC[C@@H]1CCCN(Cc2nc3ccc(F)cc3o2)C1 ZINC000429307106 1121520560 /nfs/dbraw/zinc/52/05/60/1121520560.db2.gz ODVTZIULHVFNSA-LLVKDONJSA-N 0 1 294.395 3.542 20 0 CHADMN CCc1cccc(C)c1Nc1ccc2nn[nH]c2c1 ZINC001176003393 1121520710 /nfs/dbraw/zinc/52/07/10/1121520710.db2.gz CZIYZMCOXLEVIY-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN CCc1cccc(C)c1Nc1ccc2n[nH]nc2c1 ZINC001176003393 1121520720 /nfs/dbraw/zinc/52/07/20/1121520720.db2.gz CZIYZMCOXLEVIY-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN Fc1ccc(-c2cnc(CN3CCC34CCCC4)o2)cc1 ZINC000649656310 1128990868 /nfs/dbraw/zinc/99/08/68/1128990868.db2.gz IEZGWRRMJSQBCF-UHFFFAOYSA-N 0 1 286.350 3.999 20 0 CHADMN c1coc(-c2ccccc2Nc2ccc3nn[nH]c3c2)c1 ZINC001176005685 1121522155 /nfs/dbraw/zinc/52/21/55/1121522155.db2.gz XHNQHMKENJLHLC-UHFFFAOYSA-N 0 1 276.299 3.962 20 0 CHADMN c1coc(-c2ccccc2Nc2ccc3n[nH]nc3c2)c1 ZINC001176005685 1121522162 /nfs/dbraw/zinc/52/21/62/1121522162.db2.gz XHNQHMKENJLHLC-UHFFFAOYSA-N 0 1 276.299 3.962 20 0 CHADMN COC(=O)c1cc(CN(C)[C@H](C)c2ccccc2)cs1 ZINC000411141461 1121523377 /nfs/dbraw/zinc/52/33/77/1121523377.db2.gz YYSWTHCXGBEEJI-GFCCVEGCSA-N 0 1 289.400 3.728 20 0 CHADMN Fc1ccc(OC(F)F)c(CN(C2CC2)C2CC2)c1 ZINC000625841298 1121523734 /nfs/dbraw/zinc/52/37/34/1121523734.db2.gz KFDLLIHMXLSDPN-UHFFFAOYSA-N 0 1 271.282 3.554 20 0 CHADMN CC[C@H]1CCCC[C@H]1Nc1cnn(-c2ccncc2)c1 ZINC000679443656 1121527201 /nfs/dbraw/zinc/52/72/01/1121527201.db2.gz KUWAZGMLRMFNAK-XJKSGUPXSA-N 0 1 270.380 3.648 20 0 CHADMN Cc1nc2c(n1C[C@H]1CC(C)(C)OC1(C)C)CCCC2 ZINC000711401260 1121527757 /nfs/dbraw/zinc/52/77/57/1121527757.db2.gz SDJHIALFPNWRRE-CYBMUJFWSA-N 0 1 276.424 3.664 20 0 CHADMN C[C@H]1CC[C@@H](N(C)Cc2cc(O)ccc2Br)C1 ZINC000433041239 1121530682 /nfs/dbraw/zinc/53/06/82/1121530682.db2.gz BUKVBQZAIOZGHP-CMPLNLGQSA-N 0 1 298.224 3.775 20 0 CHADMN Cc1nc([C@H]2CCCN2Cc2c(C)cccc2C)[nH]c1C ZINC001176077853 1121531829 /nfs/dbraw/zinc/53/18/29/1121531829.db2.gz NVAHABYOHIGTHM-QGZVFWFLSA-N 0 1 283.419 3.980 20 0 CHADMN CCN(Cc1ccc2ccccc2c1)[C@@H](C)c1n[nH]c(C)n1 ZINC000411186344 1121532583 /nfs/dbraw/zinc/53/25/83/1121532583.db2.gz QGPOTUSAPDDOAN-ZDUSSCGKSA-N 0 1 294.402 3.849 20 0 CHADMN CCc1nnc([C@@H](C)N2CC[C@@H](c3ccc(CC)cc3)C2)o1 ZINC000433042978 1121534141 /nfs/dbraw/zinc/53/41/41/1121534141.db2.gz BQZAKLIUKVRBBZ-CZUORRHYSA-N 0 1 299.418 3.745 20 0 CHADMN Cc1cnc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)s1 ZINC000433054810 1121541356 /nfs/dbraw/zinc/54/13/56/1121541356.db2.gz CHXQALLVUVZPRN-OAHLLOKOSA-N 0 1 272.417 3.831 20 0 CHADMN Cc1cnc(CN2CCC[C@@H](c3ccccc3)C2)s1 ZINC000433054810 1121541360 /nfs/dbraw/zinc/54/13/60/1121541360.db2.gz CHXQALLVUVZPRN-OAHLLOKOSA-N 0 1 272.417 3.831 20 0 CHADMN CC(C)(NC/C=C/c1ccc(F)cc1F)c1nccs1 ZINC000543633938 1121541909 /nfs/dbraw/zinc/54/19/09/1121541909.db2.gz WQQDGNXBJZBUKD-ONEGZZNKSA-N 0 1 294.370 3.959 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC1CCC2(CC2)CC1 ZINC000923229404 1121542609 /nfs/dbraw/zinc/54/26/09/1121542609.db2.gz GTDZTQROKVMZLT-XHSDSOJGSA-N 0 1 291.435 3.675 20 0 CHADMN C[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2F)C1 ZINC000433060621 1121542724 /nfs/dbraw/zinc/54/27/24/1121542724.db2.gz ZLQCTHJDFTZWRH-KOLCDFICSA-N 0 1 257.299 3.724 20 0 CHADMN Cc1ncc([C@@H](C)NCc2cc3ccccc3[nH]c2=O)s1 ZINC000631223509 1128992982 /nfs/dbraw/zinc/99/29/82/1128992982.db2.gz BPNRPCBQMGSSPT-SNVBAGLBSA-N 0 1 299.399 3.556 20 0 CHADMN Fc1ccc([C@H](NCc2cc[nH]n2)C2CCCCC2)cc1 ZINC000631226434 1128993179 /nfs/dbraw/zinc/99/31/79/1128993179.db2.gz ANGRZRWWYGJNGM-QGZVFWFLSA-N 0 1 287.382 3.960 20 0 CHADMN Cc1ccc2ccc(F)c(-n3c(N)nc4ccccc43)c2n1 ZINC001176113005 1121554769 /nfs/dbraw/zinc/55/47/69/1121554769.db2.gz DCNVIPXBDNFDCP-UHFFFAOYSA-N 0 1 292.317 3.603 20 0 CHADMN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[C@@H](C)C1 ZINC000466704981 1121555952 /nfs/dbraw/zinc/55/59/52/1121555952.db2.gz FOYSBXXOEUITIN-GHMZBOCLSA-N 0 1 291.782 3.793 20 0 CHADMN CCCc1nc(C)c(COc2cc(C)nc(C)c2)o1 ZINC000663985009 1121558014 /nfs/dbraw/zinc/55/80/14/1121558014.db2.gz OHLYHUUSLXSYKE-UHFFFAOYSA-N 0 1 260.337 3.526 20 0 CHADMN Cc1cccc(-c2noc(CN3CC[C@@H](CC(C)C)C3)n2)c1 ZINC000466707908 1121559140 /nfs/dbraw/zinc/55/91/40/1121559140.db2.gz OTAPSIBTIMRMBR-HNNXBMFYSA-N 0 1 299.418 3.913 20 0 CHADMN Cc1ccoc1CN(C)CCOc1ccc(F)cc1Cl ZINC000429388586 1121559705 /nfs/dbraw/zinc/55/97/05/1121559705.db2.gz OGVYHXVMRXLKTP-UHFFFAOYSA-N 0 1 297.757 3.891 20 0 CHADMN Cc1noc(C)c1Nc1cc(CCc2ccccc2)no1 ZINC001176176897 1121563194 /nfs/dbraw/zinc/56/31/94/1121563194.db2.gz NDNGJOGLVAYUFG-UHFFFAOYSA-N 0 1 283.331 3.808 20 0 CHADMN CC[C@H](CC(F)F)CN1CCS[C@H](C(F)(F)F)C1 ZINC001176176683 1121563690 /nfs/dbraw/zinc/56/36/90/1121563690.db2.gz RYEOOGZLETXDGY-BDAKNGLRSA-N 0 1 291.329 3.648 20 0 CHADMN COc1ccc(F)c(CN[C@@H](C)c2cccc(F)c2)c1 ZINC000645142534 1121564131 /nfs/dbraw/zinc/56/41/31/1121564131.db2.gz VFKQDTNIHYJNCM-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNCc2cccc3c2CCOC3)o1 ZINC000631245433 1128994369 /nfs/dbraw/zinc/99/43/69/1128994369.db2.gz OODASULOJBHWDV-SCLBCKFNSA-N 0 1 297.398 3.766 20 0 CHADMN Cn1cc([C@@H](N[C@@H]2CC23CCCC3)c2cccc(F)c2)cn1 ZINC000429421066 1121574517 /nfs/dbraw/zinc/57/45/17/1121574517.db2.gz FDASYTXUGFGVGU-SJORKVTESA-N 0 1 299.393 3.571 20 0 CHADMN CCC(=O)CCCN1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626007603 1121575675 /nfs/dbraw/zinc/57/56/75/1121575675.db2.gz MSVWNUTVTMVAII-UHFFFAOYSA-N 0 1 299.336 3.823 20 0 CHADMN Cc1ccc(CNCc2ccc(C)cc2-c2ccnn2C)o1 ZINC000631243088 1128994639 /nfs/dbraw/zinc/99/46/39/1128994639.db2.gz RGCYVAOHSXIZDQ-UHFFFAOYSA-N 0 1 295.386 3.587 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(C(C)C)c2)C1 ZINC000923469116 1121577249 /nfs/dbraw/zinc/57/72/49/1121577249.db2.gz HJKWRYFPYKQCMX-GOSISDBHSA-N 0 1 289.419 3.887 20 0 CHADMN Cc1c([C@@H](C)N[C@@H]2CC23CCCC3)nnn1-c1ccccc1 ZINC000429432365 1121579714 /nfs/dbraw/zinc/57/97/14/1121579714.db2.gz OCWLAGYPEXGECX-CZUORRHYSA-N 0 1 296.418 3.559 20 0 CHADMN COc1cccc([C@@H](C)N2CCc3cc(F)ccc3C2)c1 ZINC000509417774 1121584733 /nfs/dbraw/zinc/58/47/33/1121584733.db2.gz QXOCXWRCIFCZIQ-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN Cc1cc(Nc2cncc(C3CC3)c2)c2ccccc2n1 ZINC001176281856 1121585914 /nfs/dbraw/zinc/58/59/14/1121585914.db2.gz IEVRPYPMYDLSDW-UHFFFAOYSA-N 0 1 275.355 3.981 20 0 CHADMN C[C@H](c1ccccc1)N1CCc2cc(F)ccc2C1 ZINC000509438336 1121593182 /nfs/dbraw/zinc/59/31/82/1121593182.db2.gz RNPVVSYKKOSKTK-CYBMUJFWSA-N 0 1 255.336 3.945 20 0 CHADMN C[C@@H](c1ccccc1)N1CCc2cc(F)ccc2C1 ZINC000509438339 1121593241 /nfs/dbraw/zinc/59/32/41/1121593241.db2.gz RNPVVSYKKOSKTK-ZDUSSCGKSA-N 0 1 255.336 3.945 20 0 CHADMN Cc1nnc(CN(C)C2CCC(C(C)C)CC2)n1C1CC1 ZINC000433143882 1121594509 /nfs/dbraw/zinc/59/45/09/1121594509.db2.gz JXZLNDLGQQEILG-UHFFFAOYSA-N 0 1 290.455 3.568 20 0 CHADMN Cc1cccc2nc(N[C@H](C)c3ccncc3F)sc21 ZINC000509444599 1121596537 /nfs/dbraw/zinc/59/65/37/1121596537.db2.gz SFNRPLPYIMJJDS-SNVBAGLBSA-N 0 1 287.363 3.734 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512801419 1121604011 /nfs/dbraw/zinc/60/40/11/1121604011.db2.gz LGOIJZRRRFPRCG-UWVGGRQHSA-N 0 1 291.288 3.587 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CC[C@H](COC(F)F)C1 ZINC000512801419 1121604015 /nfs/dbraw/zinc/60/40/15/1121604015.db2.gz LGOIJZRRRFPRCG-UWVGGRQHSA-N 0 1 291.288 3.587 20 0 CHADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC000135042978 1121604617 /nfs/dbraw/zinc/60/46/17/1121604617.db2.gz WLLHMGHCTIPFON-HNNXBMFYSA-N 0 1 281.440 3.780 20 0 CHADMN Cc1cnc([C@H](C)NCCOc2c(C)cccc2C)s1 ZINC000411544995 1121605186 /nfs/dbraw/zinc/60/51/86/1121605186.db2.gz WHMCOMBCLGDOPO-AWEZNQCLSA-N 0 1 290.432 3.798 20 0 CHADMN Fc1cccc(CN(C/C=C/Cl)C2CCC2)c1 ZINC001176304924 1121605238 /nfs/dbraw/zinc/60/52/38/1121605238.db2.gz UGUPLHAFOGHFAP-FPYGCLRLSA-N 0 1 253.748 3.933 20 0 CHADMN CCCOc1ccc(Nc2cncn2C)cc1Cl ZINC001176307478 1121606366 /nfs/dbraw/zinc/60/63/66/1121606366.db2.gz ADIMRVZBPKFAAA-UHFFFAOYSA-N 0 1 265.744 3.606 20 0 CHADMN Cc1ccc(CN2CC[C@@H](COC(F)F)C2)c(Cl)c1 ZINC000512835372 1121617094 /nfs/dbraw/zinc/61/70/94/1121617094.db2.gz WMPASURRIHVGGR-LLVKDONJSA-N 0 1 289.753 3.710 20 0 CHADMN CC[C@H](NCc1scnc1C1CC1)c1ccncc1 ZINC000487299346 1121617829 /nfs/dbraw/zinc/61/78/29/1121617829.db2.gz OGOSMOASALKEBZ-ZDUSSCGKSA-N 0 1 273.405 3.656 20 0 CHADMN CCn1cc([C@H](C)NCc2cnc3ccc(C)cc3c2)cn1 ZINC000411795703 1121624026 /nfs/dbraw/zinc/62/40/26/1121624026.db2.gz FIRAFPBRAIVSKO-AWEZNQCLSA-N 0 1 294.402 3.610 20 0 CHADMN Cc1cc(CN(C)Cc2cccc3ccccc32)on1 ZINC000051993037 1121626171 /nfs/dbraw/zinc/62/61/71/1121626171.db2.gz IFVVMLCUWJZGDO-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN CCSCc1ccnc(NCc2[nH]nc3ccccc32)c1 ZINC000611183339 1121629652 /nfs/dbraw/zinc/62/96/52/1121629652.db2.gz KXDWBBDLSMUUGP-UHFFFAOYSA-N 0 1 298.415 3.823 20 0 CHADMN Cc1cc(NC=Cc2ccc(C)cc2)n(-c2ccncc2)n1 ZINC001176424329 1121631568 /nfs/dbraw/zinc/63/15/68/1121631568.db2.gz SXEJCRZGNZMMPS-KPKJPENVSA-N 0 1 290.370 3.967 20 0 CHADMN C[C@H](NCCSCc1ccccc1)c1cscn1 ZINC000611248298 1121631757 /nfs/dbraw/zinc/63/17/57/1121631757.db2.gz NMHKWNOYOXTZQG-LBPRGKRZSA-N 0 1 278.446 3.727 20 0 CHADMN CCn1cc(CN[C@@H](C)c2ccccc2OC(C)C)cn1 ZINC000226029611 1121638698 /nfs/dbraw/zinc/63/86/98/1121638698.db2.gz UHGSPDRNLJWBQD-AWEZNQCLSA-N 0 1 287.407 3.541 20 0 CHADMN Cc1nc([C@H](C)NCCSCC(F)(F)F)c(C)s1 ZINC000611337592 1121639022 /nfs/dbraw/zinc/63/90/22/1121639022.db2.gz RAXFGFDWTGTIPS-ZETCQYMHSA-N 0 1 298.399 3.706 20 0 CHADMN C[C@H](N[C@H]1CCCOc2ccccc21)c1ccns1 ZINC000924880849 1121640505 /nfs/dbraw/zinc/64/05/05/1121640505.db2.gz DFFOLGLYGUSLLL-AAEUAGOBSA-N 0 1 274.389 3.708 20 0 CHADMN COc1ccccc1[C@H](NC1CC(C)(C)C1)c1ccccn1 ZINC000433303550 1121643004 /nfs/dbraw/zinc/64/30/04/1121643004.db2.gz LGFWDODSDAKJCU-SFHVURJKSA-N 0 1 296.414 3.958 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2)c(C)c1 ZINC000008142005 1121652940 /nfs/dbraw/zinc/65/29/40/1121652940.db2.gz JDTDIBAOEPTTNO-MRXNPFEDSA-N 0 1 296.414 3.762 20 0 CHADMN CC(C)c1noc(CN(C)[C@H]2CCC[C@H]2C(C)(C)C)n1 ZINC000419323742 1121654359 /nfs/dbraw/zinc/65/43/59/1121654359.db2.gz JFTXUSVRKJBHJQ-OLZOCXBDSA-N 0 1 279.428 3.840 20 0 CHADMN CCCc1noc(CN(C)[C@H]2CCC[C@@H]2C(C)(C)C)n1 ZINC000419322517 1121654682 /nfs/dbraw/zinc/65/46/82/1121654682.db2.gz HPFBPEXYNSWOOV-STQMWFEESA-N 0 1 279.428 3.669 20 0 CHADMN COc1ncc(CN[C@@H](C)c2ccc(C3CC3)cc2)c(C)n1 ZINC000419327987 1121659097 /nfs/dbraw/zinc/65/90/97/1121659097.db2.gz DHBWQAGCHLBIPA-LBPRGKRZSA-N 0 1 297.402 3.522 20 0 CHADMN COc1ncccc1CN[C@H](C)c1ccc(C2CC2)cc1 ZINC000419341647 1121669286 /nfs/dbraw/zinc/66/92/86/1121669286.db2.gz OMDJQPGFRORJKT-CYBMUJFWSA-N 0 1 282.387 3.818 20 0 CHADMN c1ccc(Oc2cccc(CN3CCCOCC3)c2)cc1 ZINC000510536233 1121670174 /nfs/dbraw/zinc/67/01/74/1121670174.db2.gz XQGYFQZKHGTFOU-UHFFFAOYSA-N 0 1 283.371 3.701 20 0 CHADMN c1nc(C2CC2)c(CN2CCc3ccccc3C2)s1 ZINC000494341283 1121671539 /nfs/dbraw/zinc/67/15/39/1121671539.db2.gz XUVXSQZLLBTYTR-UHFFFAOYSA-N 0 1 270.401 3.579 20 0 CHADMN COc1cccc2cc(CNCc3ccoc3C)oc21 ZINC000067217916 1121672614 /nfs/dbraw/zinc/67/26/14/1121672614.db2.gz YGKTZEPLBDKSHW-UHFFFAOYSA-N 0 1 271.316 3.633 20 0 CHADMN CN(Cc1coc(-c2ccc(Cl)cc2)n1)CC1CC1 ZINC000052128311 1121677796 /nfs/dbraw/zinc/67/77/96/1121677796.db2.gz ONKQECALVCFDCB-UHFFFAOYSA-N 0 1 276.767 3.837 20 0 CHADMN Cc1ccc(NC(=O)c2ccc(O)c(Cl)c2)cc1 ZINC000019840438 1121681832 /nfs/dbraw/zinc/68/18/32/1121681832.db2.gz HTNGGKHHDDSQIP-UHFFFAOYSA-N 0 1 261.708 3.606 20 0 CHADMN CCc1nc(C)c(CNCc2ccc3ccccc3c2)o1 ZINC000291788231 1121691728 /nfs/dbraw/zinc/69/17/28/1121691728.db2.gz PJPJVULKLOYPJQ-UHFFFAOYSA-N 0 1 280.371 3.988 20 0 CHADMN CCOCC1CCN(Cc2cccc(OC)c2Cl)CC1 ZINC001237194711 1129003081 /nfs/dbraw/zinc/00/30/81/1129003081.db2.gz WKKXMTJXAIQNQJ-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN COc1cccc(CN2CCc3sccc3[C@H]2C)c1 ZINC000053150769 1121695985 /nfs/dbraw/zinc/69/59/85/1121695985.db2.gz PUIXKSXPQKDUBR-GFCCVEGCSA-N 0 1 273.401 3.876 20 0 CHADMN Cc1ccccc1-c1cccc(NC(=O)Cc2cnc[nH]2)c1 ZINC001176832569 1121697049 /nfs/dbraw/zinc/69/70/49/1121697049.db2.gz VURPZIPUTLHKDZ-UHFFFAOYSA-N 0 1 291.354 3.566 20 0 CHADMN Cc1ccccc1-c1noc(CN(C)CCC(C)C)n1 ZINC000052245635 1121698005 /nfs/dbraw/zinc/69/80/05/1121698005.db2.gz GNPRQPCWPKKOBS-UHFFFAOYSA-N 0 1 273.380 3.523 20 0 CHADMN C[C@H](C[N@H+]1CCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500959530 1121698058 /nfs/dbraw/zinc/69/80/58/1121698058.db2.gz VSMZXBYGDDNPNN-VXGBXAGGSA-N 0 1 287.325 3.530 20 0 CHADMN C[C@H](CN1CCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500959530 1121698061 /nfs/dbraw/zinc/69/80/61/1121698061.db2.gz VSMZXBYGDDNPNN-VXGBXAGGSA-N 0 1 287.325 3.530 20 0 CHADMN C[C@@H](C[N@H+]1CCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500959529 1121698080 /nfs/dbraw/zinc/69/80/80/1121698080.db2.gz VSMZXBYGDDNPNN-RYUDHWBXSA-N 0 1 287.325 3.530 20 0 CHADMN C[C@@H](CN1CCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500959529 1121698084 /nfs/dbraw/zinc/69/80/84/1121698084.db2.gz VSMZXBYGDDNPNN-RYUDHWBXSA-N 0 1 287.325 3.530 20 0 CHADMN C[C@@H](Cc1cccnc1)NCc1nccc(Cl)c1Cl ZINC001176871080 1121699047 /nfs/dbraw/zinc/69/90/47/1121699047.db2.gz JDJCQMGNBYUBPU-JTQLQIEISA-N 0 1 296.201 3.504 20 0 CHADMN CCc1cnc(CN2CC[C@H](c3ccc(C)cc3)C2)o1 ZINC000544186519 1121700257 /nfs/dbraw/zinc/70/02/57/1121700257.db2.gz CUMKGUPXZVOGDK-HNNXBMFYSA-N 0 1 270.376 3.535 20 0 CHADMN c1nc(CN2CCC[C@@H](C3CCCC3)C2)oc1C1CC1 ZINC001176932128 1121700320 /nfs/dbraw/zinc/70/03/20/1121700320.db2.gz DBEPRUVHQSGWBI-OAHLLOKOSA-N 0 1 274.408 3.954 20 0 CHADMN CCCCOCCSc1nc2ccc(C)cc2[nH]1 ZINC000614381939 1121701018 /nfs/dbraw/zinc/70/10/18/1121701018.db2.gz MFNZJGMPNZRFLS-UHFFFAOYSA-N 0 1 264.394 3.780 20 0 CHADMN CCCCOCCSc1nc(-c2ccccc2F)n[nH]1 ZINC000614380826 1121701721 /nfs/dbraw/zinc/70/17/21/1121701721.db2.gz IOCYJSAMYDKXBH-UHFFFAOYSA-N 0 1 295.383 3.520 20 0 CHADMN CC(C)(C)c1csc(CNC2([C@H]3CCCO3)CCC2)n1 ZINC001176940018 1121701771 /nfs/dbraw/zinc/70/17/71/1121701771.db2.gz QKNJBCRYBCALSA-CYBMUJFWSA-N 0 1 294.464 3.632 20 0 CHADMN CCCC[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000211580607 1121703878 /nfs/dbraw/zinc/70/38/78/1121703878.db2.gz ZZIKPXZPKUPUFX-GFCCVEGCSA-N 0 1 290.190 3.851 20 0 CHADMN COc1cccc(C[N@H+]2CC[C@H](C)C[C@H]2C)c1Cl ZINC001237194800 1129003571 /nfs/dbraw/zinc/00/35/71/1129003571.db2.gz YBUILAXEZNBJSN-NWDGAFQWSA-N 0 1 267.800 3.969 20 0 CHADMN Clc1ccccc1CNCc1cccc2nsnc21 ZINC001177098573 1121711855 /nfs/dbraw/zinc/71/18/55/1121711855.db2.gz NLPFFXNAMXVELH-UHFFFAOYSA-N 0 1 289.791 3.635 20 0 CHADMN CCCNCc1c(F)c(Cl)ccc1Br ZINC001177092602 1121712662 /nfs/dbraw/zinc/71/26/62/1121712662.db2.gz HXQDKSNAMNGZCW-UHFFFAOYSA-N 0 1 280.568 3.741 20 0 CHADMN COc1ccccc1/C=C\CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000430090641 1121716257 /nfs/dbraw/zinc/71/62/57/1121716257.db2.gz OKRYULJHBKSNFY-JKWYKVDLSA-N 0 1 293.357 3.686 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)/C(C)=C\C(C)(C)C)c1 ZINC000773624018 1121717462 /nfs/dbraw/zinc/71/74/62/1121717462.db2.gz ZLRDQPYKTOJCKO-KTKRTIGZSA-N 0 1 275.348 3.526 20 0 CHADMN CCc1nc(C)c(CN[C@H]2CCCc3sccc32)o1 ZINC000291881715 1121722822 /nfs/dbraw/zinc/72/28/22/1121722822.db2.gz JNQZESDEQJEXDG-LBPRGKRZSA-N 0 1 276.405 3.774 20 0 CHADMN Cc1cccc(CNCc2ccc3c(c2)CCC3)c1F ZINC001177282854 1121722872 /nfs/dbraw/zinc/72/28/72/1121722872.db2.gz OJUVKTZSGOWMOR-UHFFFAOYSA-N 0 1 269.363 3.913 20 0 CHADMN COc1ccc(F)cc1[C@@H](C)NCc1cc(C)nc(C)c1 ZINC001177315182 1121724672 /nfs/dbraw/zinc/72/46/72/1121724672.db2.gz NSKJIKLLLWKZBY-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN COCCCCN(C)Cc1nc(-c2cccs2)oc1C ZINC000419384231 1121726558 /nfs/dbraw/zinc/72/65/58/1121726558.db2.gz GIDGOLHUYFXKLQ-UHFFFAOYSA-N 0 1 294.420 3.570 20 0 CHADMN Cc1cnc(CNCCOc2ccc3ccccc3c2)s1 ZINC001177403860 1121728616 /nfs/dbraw/zinc/72/86/16/1121728616.db2.gz GVZBDJSCXZVYPU-UHFFFAOYSA-N 0 1 298.411 3.773 20 0 CHADMN C[C@@H](c1nc([C@H]2Cc3ccccc32)no1)N1CCCCCC1 ZINC000527198199 1121729014 /nfs/dbraw/zinc/72/90/14/1121729014.db2.gz QJHCXOVMFAFREH-BBRMVZONSA-N 0 1 297.402 3.695 20 0 CHADMN CCOC1CC(Sc2nc3ccc(C)cc3[nH]2)C1 ZINC000430103304 1121729168 /nfs/dbraw/zinc/72/91/68/1121729168.db2.gz SIDBZUIABMYISZ-UHFFFAOYSA-N 0 1 262.378 3.531 20 0 CHADMN CCN(C)c1ccccc1CNCc1cc(C)ccc1F ZINC001177693837 1121745754 /nfs/dbraw/zinc/74/57/54/1121745754.db2.gz ZZRBFTZQCPRIDY-UHFFFAOYSA-N 0 1 286.394 3.880 20 0 CHADMN CC[C@@H]1CCCN1Cn1c2ccccc2n(C)c1=S ZINC000727824495 1121750644 /nfs/dbraw/zinc/75/06/44/1121750644.db2.gz QNDWHOWHOACWPM-GFCCVEGCSA-N 0 1 275.421 3.541 20 0 CHADMN CCOc1cccc(CN[C@@H](C)c2cnn(C(C)C)c2)c1 ZINC001177799730 1121750545 /nfs/dbraw/zinc/75/05/45/1121750545.db2.gz GDZKNROGYZFRMQ-AWEZNQCLSA-N 0 1 287.407 3.714 20 0 CHADMN CC[C@H]1CCCN1CN1c2cccc3cccc(c23)C1=O ZINC000727824800 1121751189 /nfs/dbraw/zinc/75/11/89/1121751189.db2.gz SFBLYXSLBMFRLL-AWEZNQCLSA-N 0 1 280.371 3.632 20 0 CHADMN C[C@@H](NCc1ccc(SC(F)F)cc1)c1cnn(C)c1 ZINC001177911741 1121756228 /nfs/dbraw/zinc/75/62/28/1121756228.db2.gz JWKRDBMYNGKGOA-SNVBAGLBSA-N 0 1 297.374 3.586 20 0 CHADMN CCc1cc(CNC/C=C/c2cc(C)c(C)cc2C)on1 ZINC001177911252 1121757167 /nfs/dbraw/zinc/75/71/67/1121757167.db2.gz HSRIQYWBKUPYAX-VOTSOKGWSA-N 0 1 284.403 3.965 20 0 CHADMN CCCCc1noc(CN2CC[C@@H](c3ccc(C)cc3)C2)n1 ZINC000544189568 1121757329 /nfs/dbraw/zinc/75/73/29/1121757329.db2.gz NYFWMHZNOFRWRY-MRXNPFEDSA-N 0 1 299.418 3.710 20 0 CHADMN Cc1cnc(CN2C[C@H](C)C[C@@H]2c2ccccc2)o1 ZINC000285580483 1121763513 /nfs/dbraw/zinc/76/35/13/1121763513.db2.gz IDYDTIZRSDRTJW-IUODEOHRSA-N 0 1 256.349 3.566 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)N(Cc2nccs2)C1 ZINC000285896822 1121763795 /nfs/dbraw/zinc/76/37/95/1121763795.db2.gz ZODDBJQGAVQFBX-GXTWGEPZSA-N 0 1 258.390 3.726 20 0 CHADMN C[C@H](N[C@@H]1c2cccc(F)c2CC[C@@H]1C)c1ncc[nH]1 ZINC000286265377 1121767274 /nfs/dbraw/zinc/76/72/74/1121767274.db2.gz VDGAXLGSCLWIBV-PGUXBMHVSA-N 0 1 273.355 3.523 20 0 CHADMN Brc1ccc2c(c1)CN([C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167940189 1121778045 /nfs/dbraw/zinc/77/80/45/1121778045.db2.gz PLLFDTBFTNDLHW-JYAVWHMHSA-N 0 1 292.220 3.606 20 0 CHADMN CCc1ccc2c(c1)[C@H](NCc1ccnn1C(C)C)CCO2 ZINC001178443757 1121784662 /nfs/dbraw/zinc/78/46/62/1121784662.db2.gz ASNKXLNXGSECBL-QGZVFWFLSA-N 0 1 299.418 3.640 20 0 CHADMN C[C@H](Nc1ncnc2[nH]cnc21)c1csc2ccccc12 ZINC000729986604 1121788702 /nfs/dbraw/zinc/78/87/02/1121788702.db2.gz NDBBSWGZZROXDG-VIFPVBQESA-N 0 1 295.371 3.741 20 0 CHADMN CC(=O)Nc1cccc(CN[C@@H]2CCc3ccc(F)cc32)c1 ZINC000174992978 1121788829 /nfs/dbraw/zinc/78/88/29/1121788829.db2.gz ALXMMGPOCKVUPO-GOSISDBHSA-N 0 1 298.361 3.561 20 0 CHADMN C[C@@H](NC(=O)C(F)(F)F)c1csc2ccccc21 ZINC000729978247 1121789665 /nfs/dbraw/zinc/78/96/65/1121789665.db2.gz YUGAOKYWLQISKW-SSDOTTSWSA-N 0 1 273.279 3.641 20 0 CHADMN COCCCC[N@@H+](C)Cc1c(C)cccc1Cl ZINC000419394284 1121794735 /nfs/dbraw/zinc/79/47/35/1121794735.db2.gz WIOGJZPPSBKLAS-UHFFFAOYSA-N 0 1 255.789 3.507 20 0 CHADMN COc1ccc2c(c1)CC[C@H]2N[C@H](C)c1c(C)noc1C ZINC000631582914 1129009947 /nfs/dbraw/zinc/00/99/47/1129009947.db2.gz OGUPFTREDPCXES-QLJPJBMISA-N 0 1 286.375 3.638 20 0 CHADMN C[C@H]1CCN(Cc2ccc(F)c(F)c2)CCC1(F)F ZINC001204224375 1121808640 /nfs/dbraw/zinc/80/86/40/1121808640.db2.gz VHUMWGIZMVSXEH-JTQLQIEISA-N 0 1 275.289 3.832 20 0 CHADMN c1cc2cc(CNc3ccc4c(n3)CCC4)ccc2o1 ZINC001178743038 1121810907 /nfs/dbraw/zinc/81/09/07/1121810907.db2.gz ZLSMEKHJWXBBCD-UHFFFAOYSA-N 0 1 264.328 3.929 20 0 CHADMN C[C@H](C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1)C1CC1 ZINC000175289659 1121811540 /nfs/dbraw/zinc/81/15/40/1121811540.db2.gz AMGAEKJDPMOTLA-JTQLQIEISA-N 0 1 283.375 3.815 20 0 CHADMN Cc1ccc(CNc2ccc3c(n2)CCC3)c(F)c1 ZINC001178741849 1121811726 /nfs/dbraw/zinc/81/17/26/1121811726.db2.gz KSNBKGHXLCGLNO-UHFFFAOYSA-N 0 1 256.324 3.630 20 0 CHADMN CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1cccc([O-])c1Br ZINC001178727975 1121816100 /nfs/dbraw/zinc/81/61/00/1121816100.db2.gz TWEMDXCIYKPLRO-RYUDHWBXSA-N 0 1 298.224 3.536 20 0 CHADMN Cc1occc1CNCc1c[nH]nc1-c1ccc(C)cc1 ZINC000619766485 1129011254 /nfs/dbraw/zinc/01/12/54/1129011254.db2.gz OQAXRNYHLFBETM-UHFFFAOYSA-N 0 1 281.359 3.576 20 0 CHADMN CC(C)O[C@@H]1CCCN(Cc2ccc(Cl)s2)C1 ZINC000649697448 1129011416 /nfs/dbraw/zinc/01/14/16/1129011416.db2.gz IMXFMFFASOLYIR-LLVKDONJSA-N 0 1 273.829 3.791 20 0 CHADMN c1cc(CNCc2ccc3sccc3c2)sn1 ZINC001178854912 1121823859 /nfs/dbraw/zinc/82/38/59/1121823859.db2.gz AHEYDZPMYRHVLK-UHFFFAOYSA-N 0 1 260.387 3.648 20 0 CHADMN Cn1cc(Cl)c(CNCC2(C)CCC(C)(C)CC2)n1 ZINC001178962906 1121835055 /nfs/dbraw/zinc/83/50/55/1121835055.db2.gz VSXWLPMHBKBKON-UHFFFAOYSA-N 0 1 283.847 3.770 20 0 CHADMN FCCN[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000436296535 1121838547 /nfs/dbraw/zinc/83/85/47/1121838547.db2.gz JYUIHPGDNGJADF-LBPRGKRZSA-N 0 1 294.370 3.886 20 0 CHADMN CC[C@H](C)[C@@H](C)N(CC(=O)OCc1ccccc1)C1CC1 ZINC000731104287 1121846057 /nfs/dbraw/zinc/84/60/57/1121846057.db2.gz YDWRUXCSSRXWGO-LSDHHAIUSA-N 0 1 289.419 3.629 20 0 CHADMN C[C@H](O)[C@@H](NCc1cccc2[nH]ccc21)c1ccccc1F ZINC001179081330 1121847796 /nfs/dbraw/zinc/84/77/96/1121847796.db2.gz FFUSDCRCXQOLBA-KPZWWZAWSA-N 0 1 298.361 3.519 20 0 CHADMN CCCC[C@H](CC)CCC(=O)N1CCCC2(CN(C)C2)C1 ZINC001273239102 1121858026 /nfs/dbraw/zinc/85/80/26/1121858026.db2.gz VGAKYUXYADDKSQ-INIZCTEOSA-N 0 1 294.483 3.537 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2cc(F)c(O)c(Cl)c2)C1 ZINC001237985449 1129235362 /nfs/dbraw/zinc/23/53/62/1129235362.db2.gz YDYHLCHKHNRJSX-CQSZACIVSA-N 0 1 289.753 3.899 20 0 CHADMN Cc1oc(-c2cccs2)nc1CNCC1=CCCC1 ZINC001179200627 1121858825 /nfs/dbraw/zinc/85/88/25/1121858825.db2.gz XOLHIZUBJIWGSM-UHFFFAOYSA-N 0 1 274.389 3.911 20 0 CHADMN Cc1cccc2c1CC[C@@H]2NCc1cccc2c1OCCO2 ZINC000731451105 1121868473 /nfs/dbraw/zinc/86/84/73/1121868473.db2.gz PEOKLMMQRSNZIW-KRWDZBQOSA-N 0 1 295.382 3.543 20 0 CHADMN CC(C)c1nsc(CN2CC[C@@H](C(C)(C)C)C2)n1 ZINC001119728213 1121870504 /nfs/dbraw/zinc/87/05/04/1121870504.db2.gz CBBUNWWXMZLTOO-LLVKDONJSA-N 0 1 267.442 3.530 20 0 CHADMN C[C@H]([C@H](C)C(=O)Nc1ccc2cncn2c1)C(C)(C)C ZINC001179310553 1121870934 /nfs/dbraw/zinc/87/09/34/1121870934.db2.gz XFZQYIAUUXESCY-NWDGAFQWSA-N 0 1 273.380 3.591 20 0 CHADMN Cc1cc(Br)c(CNCC(C)(C)F)s1 ZINC001179316004 1121872168 /nfs/dbraw/zinc/87/21/68/1121872168.db2.gz PXAKCSYQEPGORR-UHFFFAOYSA-N 0 1 280.206 3.657 20 0 CHADMN CCC[C@H](NCc1cnc2n1CCCC2)c1cc(C)ccn1 ZINC000631626911 1129015135 /nfs/dbraw/zinc/01/51/35/1129015135.db2.gz YXSUEWMAYWEXBK-INIZCTEOSA-N 0 1 298.434 3.554 20 0 CHADMN CCC1CCN(Cn2ccc(-c3ccsc3)n2)CC1 ZINC000731659549 1121877234 /nfs/dbraw/zinc/87/72/34/1121877234.db2.gz KUZCMTIKDZGEPS-UHFFFAOYSA-N 0 1 275.421 3.691 20 0 CHADMN CC[C@H]1CCCN(Cn2ccc(-c3cccs3)n2)C1 ZINC000731658925 1121878284 /nfs/dbraw/zinc/87/82/84/1121878284.db2.gz SPVANKLIDQUJFK-ZDUSSCGKSA-N 0 1 275.421 3.691 20 0 CHADMN Cc1nnsc1CN[C@H](C)c1ccc(C2CCC2)cc1 ZINC000631633098 1129015598 /nfs/dbraw/zinc/01/55/98/1129015598.db2.gz UTXHGMABXNYHAF-LLVKDONJSA-N 0 1 287.432 3.965 20 0 CHADMN Cc1ccc(CNC/C=C/c2cccc(F)c2)c(Cl)n1 ZINC001179458715 1121881496 /nfs/dbraw/zinc/88/14/96/1121881496.db2.gz YGUIPUAECRVGGF-HWKANZROSA-N 0 1 290.769 3.986 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1cccc2ncccc21 ZINC000731891073 1121889543 /nfs/dbraw/zinc/88/95/43/1121889543.db2.gz IHZVEZSHXCFFMJ-UHFFFAOYSA-N 0 1 299.418 3.685 20 0 CHADMN COc1c(C)cnc(CN2Cc3ccccc3[C@H](C)C2)c1C ZINC000731889023 1121890539 /nfs/dbraw/zinc/89/05/39/1121890539.db2.gz DHSNTFCSSYPLGM-CQSZACIVSA-N 0 1 296.414 3.826 20 0 CHADMN Fc1ccc(CNC[C@H]2CCCC3(CCC3)O2)c(F)c1F ZINC001179699764 1121900132 /nfs/dbraw/zinc/90/01/32/1121900132.db2.gz IKSZSBHEJCLJOC-GFCCVEGCSA-N 0 1 299.336 3.685 20 0 CHADMN CCCCN(CC)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000345662626 1121904217 /nfs/dbraw/zinc/90/42/17/1121904217.db2.gz LFSJXCRTZBVRHQ-UHFFFAOYSA-N 0 1 297.402 3.509 20 0 CHADMN Cc1cc(F)ncc1CN[C@H](C)c1ccc(F)cc1 ZINC001179722233 1121905008 /nfs/dbraw/zinc/90/50/08/1121905008.db2.gz KIVJONGLAVOOFG-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN Cc1cc(CN[C@@]2(CO)CC[C@H](C)c3ccccc32)c(C)o1 ZINC001179790035 1121910783 /nfs/dbraw/zinc/91/07/83/1121910783.db2.gz ZOMBBVRCBQACDX-ORAYPTAESA-N 0 1 299.414 3.771 20 0 CHADMN CCCN(CCC)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000345798239 1121918065 /nfs/dbraw/zinc/91/80/65/1121918065.db2.gz MDELKUOTAYEUIC-UHFFFAOYSA-N 0 1 297.402 3.509 20 0 CHADMN CC=CC=CC(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732543680 1121924619 /nfs/dbraw/zinc/92/46/19/1121924619.db2.gz JLUCVDBRJQVVBJ-LLUULLFCSA-N 0 1 289.766 3.526 20 0 CHADMN CC[C@H]1CCN(Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001179979560 1121932730 /nfs/dbraw/zinc/93/27/30/1121932730.db2.gz JAVDLTGJWLHVKC-NSHDSACASA-N 0 1 299.871 3.629 20 0 CHADMN CCOc1ccc2c(c1)CN(Cc1cc(C)oc1C)CC2 ZINC001179989322 1121935330 /nfs/dbraw/zinc/93/53/30/1121935330.db2.gz NMYSBWDWZWEUEN-UHFFFAOYSA-N 0 1 285.387 3.853 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc([O-])c(F)c1F ZINC001180093448 1121942567 /nfs/dbraw/zinc/94/25/67/1121942567.db2.gz STYKZHVVFILKDW-LBPRGKRZSA-N 0 1 269.335 3.681 20 0 CHADMN CCC[C@H](C)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000501038826 1121946924 /nfs/dbraw/zinc/94/69/24/1121946924.db2.gz UPICANQIVHPQQF-WFASDCNBSA-N 0 1 299.361 3.850 20 0 CHADMN Fc1nccc(Cl)c1CN1CCC[C@H]1C1CCC1 ZINC001180086156 1121948114 /nfs/dbraw/zinc/94/81/14/1121948114.db2.gz GFHACYOVNRRTOU-ZDUSSCGKSA-N 0 1 268.763 3.639 20 0 CHADMN C[C@H](CN1CCOC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000501087708 1121951837 /nfs/dbraw/zinc/95/18/37/1121951837.db2.gz GKOJAXYBGTXUAR-VXGBXAGGSA-N 0 1 287.325 3.530 20 0 CHADMN CC(C)COCCN(Cc1ccco1)Cc1ccccc1 ZINC000501170784 1121961699 /nfs/dbraw/zinc/96/16/99/1121961699.db2.gz NNBNMYFXYQYVHY-UHFFFAOYSA-N 0 1 287.403 3.954 20 0 CHADMN CC(C)c1cnc(CSc2nc(C(C)(C)C)n[nH]2)o1 ZINC000733208351 1121966890 /nfs/dbraw/zinc/96/68/90/1121966890.db2.gz WUGFEVPMPQGYSC-UHFFFAOYSA-N 0 1 280.397 3.506 20 0 CHADMN CC(C)c1cnc(CSc2n[nH]c(C(C)(C)C)n2)o1 ZINC000733208351 1121966896 /nfs/dbraw/zinc/96/68/96/1121966896.db2.gz WUGFEVPMPQGYSC-UHFFFAOYSA-N 0 1 280.397 3.506 20 0 CHADMN CCC(CC)N(Cc1ncc(C(C)C)o1)C1CC1 ZINC000733308620 1121973578 /nfs/dbraw/zinc/97/35/78/1121973578.db2.gz NUTCVSXPXHVPMD-UHFFFAOYSA-N 0 1 250.386 3.951 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@@H]2C(C)(C)C)o1 ZINC000733309529 1121974177 /nfs/dbraw/zinc/97/41/77/1121974177.db2.gz SHYDRXGOYVTPIB-CYBMUJFWSA-N 0 1 250.386 3.809 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000733323078 1121976625 /nfs/dbraw/zinc/97/66/25/1121976625.db2.gz DSFWZVKVUSWTOQ-CPCISQLKSA-N 0 1 299.695 3.707 20 0 CHADMN C[N@@H+](Cc1csc(Nc2ccccc2)n1)C1CCCC1 ZINC000501422983 1121977942 /nfs/dbraw/zinc/97/79/42/1121977942.db2.gz PJMTVWSQVMKDED-UHFFFAOYSA-N 0 1 287.432 3.683 20 0 CHADMN CN(Cc1csc(Nc2ccccc2)n1)C1CCCC1 ZINC000501422983 1121977949 /nfs/dbraw/zinc/97/79/49/1121977949.db2.gz PJMTVWSQVMKDED-UHFFFAOYSA-N 0 1 287.432 3.683 20 0 CHADMN Cc1occc1C[N@@H+]1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000414438207 1121979831 /nfs/dbraw/zinc/97/98/31/1121979831.db2.gz VAJRETFVYKMXKE-CABZTGNLSA-N 0 1 261.287 3.751 20 0 CHADMN Cc1occc1CN1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000414438207 1121979840 /nfs/dbraw/zinc/97/98/40/1121979840.db2.gz VAJRETFVYKMXKE-CABZTGNLSA-N 0 1 261.287 3.751 20 0 CHADMN CCc1cc(OC)ccc1CNCc1ccc(F)cc1F ZINC000501453512 1121980427 /nfs/dbraw/zinc/98/04/27/1121980427.db2.gz VUHBDRXZANNDKT-UHFFFAOYSA-N 0 1 291.341 3.826 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cncc(Br)c1C ZINC001180372332 1121984225 /nfs/dbraw/zinc/98/42/25/1121984225.db2.gz QEFLHXWNPYZDBV-CYBMUJFWSA-N 0 1 297.240 3.917 20 0 CHADMN Oc1ccc(CN(Cc2cccs2)C2CC2)cc1F ZINC001180557855 1121998323 /nfs/dbraw/zinc/99/83/23/1121998323.db2.gz HTQYCLVDSNXFNX-UHFFFAOYSA-N 0 1 277.364 3.757 20 0 CHADMN CCc1nc(C)c([C@H](C)NCc2ccc(C)o2)s1 ZINC000631728878 1129024048 /nfs/dbraw/zinc/02/40/48/1129024048.db2.gz ZYSIKRBQFMAHOA-JTQLQIEISA-N 0 1 264.394 3.766 20 0 CHADMN COc1nc(CNCc2c(C)oc3ccccc32)ccc1C ZINC001180632842 1122005128 /nfs/dbraw/zinc/00/51/28/1122005128.db2.gz KRCYBLCESZDBRJ-UHFFFAOYSA-N 0 1 296.370 3.743 20 0 CHADMN CCn1nc(C)c(CN[C@@H](c2ccccn2)C2CCC2)c1C ZINC000924923558 1122006353 /nfs/dbraw/zinc/00/63/53/1122006353.db2.gz KVHLBJZHVZOLJR-GOSISDBHSA-N 0 1 298.434 3.546 20 0 CHADMN COc1cccc2c1CCC[C@H]2NCc1ccc(C)o1 ZINC000631729312 1129024577 /nfs/dbraw/zinc/02/45/77/1129024577.db2.gz BSVSKHXHGAOYBB-MRXNPFEDSA-N 0 1 271.360 3.764 20 0 CHADMN Brc1c[nH]nc1CNCCC1=CCCCCC1 ZINC001180646662 1122006516 /nfs/dbraw/zinc/00/65/16/1122006516.db2.gz NWFOXYIQBMDRFY-UHFFFAOYSA-N 0 1 298.228 3.542 20 0 CHADMN C[C@@H](NCC(F)(F)C(C)(C)C)C1CC(F)(F)C1 ZINC000628352429 1122008042 /nfs/dbraw/zinc/00/80/42/1122008042.db2.gz ISCBAEPOARYHQU-MRVPVSSYSA-N 0 1 255.299 3.691 20 0 CHADMN Cc1nnc([C@H](C)N[C@@H](C)CCc2ccsc2)s1 ZINC001180674171 1122008294 /nfs/dbraw/zinc/00/82/94/1122008294.db2.gz TXBWJQFXSCHRPJ-UWVGGRQHSA-N 0 1 281.450 3.580 20 0 CHADMN Clc1ccc(OCCN2CCc3sccc3C2)cc1 ZINC000501852735 1122018569 /nfs/dbraw/zinc/01/85/69/1122018569.db2.gz XAPJOPAALWAEEZ-UHFFFAOYSA-N 0 1 293.819 3.839 20 0 CHADMN CCCCCCOc1ccc(NC(=O)[C@H](C)N(C)C)cc1 ZINC001180861621 1122019501 /nfs/dbraw/zinc/01/95/01/1122019501.db2.gz JKSVFORKHCGFOT-AWEZNQCLSA-N 0 1 292.423 3.534 20 0 CHADMN CC[C@H]1CCCC[C@H]1c1noc(C23CCCN2CCC3)n1 ZINC000420504188 1122019552 /nfs/dbraw/zinc/01/95/52/1122019552.db2.gz OAYWFSQXGMJKLO-UONOGXRCSA-N 0 1 289.423 3.838 20 0 CHADMN C[C@@H]1CN(CCSC2CCCCC2)C[C@H](C2CC2)O1 ZINC000501876005 1122021552 /nfs/dbraw/zinc/02/15/52/1122021552.db2.gz LWJMIBLVFPRQIH-CZUORRHYSA-N 0 1 283.481 3.552 20 0 CHADMN Cc1c(Cl)ccc(CN2CCC[C@@]2(C)CO)c1Cl ZINC001180917271 1122022144 /nfs/dbraw/zinc/02/21/44/1122022144.db2.gz OUDMMAVMINNUFM-AWEZNQCLSA-N 0 1 288.218 3.649 20 0 CHADMN C[C@H](NCCCCCc1ccccc1)c1ncco1 ZINC000924925516 1122022589 /nfs/dbraw/zinc/02/25/89/1122022589.db2.gz MWHMLIRIBODLCB-AWEZNQCLSA-N 0 1 258.365 3.738 20 0 CHADMN CC[C@]1(C)CN(C[C@H](C)c2cccc(Cl)c2)CCO1 ZINC001180933974 1122024142 /nfs/dbraw/zinc/02/41/42/1122024142.db2.gz DZQQMUOCTNJWME-XJKSGUPXSA-N 0 1 281.827 3.944 20 0 CHADMN CC[C@H]1C[C@@H](Nc2ccnc3cc(F)ccc32)CCO1 ZINC000420625258 1122025326 /nfs/dbraw/zinc/02/53/26/1122025326.db2.gz XGMQMFWKIYJULQ-STQMWFEESA-N 0 1 274.339 3.743 20 0 CHADMN C[C@@H](CC1CCC1)N[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000631738435 1129026210 /nfs/dbraw/zinc/02/62/10/1129026210.db2.gz METDIXVJAPXTMH-LRDDRELGSA-N 0 1 287.382 3.807 20 0 CHADMN Cc1cncc([C@@H](C)N[C@@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000631736882 1129026323 /nfs/dbraw/zinc/02/63/23/1129026323.db2.gz AMGLVPUZCZNDNQ-NWDGAFQWSA-N 0 1 297.358 3.649 20 0 CHADMN CC[C@@]1(C)COCCN1C[C@H](C)c1cccc(Cl)c1 ZINC001181065317 1122032068 /nfs/dbraw/zinc/03/20/68/1122032068.db2.gz JTJIPOWOFYZGFX-BBRMVZONSA-N 0 1 281.827 3.944 20 0 CHADMN Oc1cccc(C[N@H+]2CCSC3(CCC3)CC2)c1Cl ZINC000414475368 1122037799 /nfs/dbraw/zinc/03/77/99/1122037799.db2.gz GYDNZFJZTUBECR-UHFFFAOYSA-N 0 1 297.851 3.907 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCSC3(CCC3)CC2)c1Cl ZINC000414475368 1122037806 /nfs/dbraw/zinc/03/78/06/1122037806.db2.gz GYDNZFJZTUBECR-UHFFFAOYSA-N 0 1 297.851 3.907 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCSC3(CCC3)CC2)c1Cl ZINC000414475368 1122037813 /nfs/dbraw/zinc/03/78/13/1122037813.db2.gz GYDNZFJZTUBECR-UHFFFAOYSA-N 0 1 297.851 3.907 20 0 CHADMN CSC(C)(C)CCN1CCOc2cccc(F)c2C1 ZINC001181196537 1122041775 /nfs/dbraw/zinc/04/17/75/1122041775.db2.gz QUIHTORUDBOALL-UHFFFAOYSA-N 0 1 283.412 3.552 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)o1 ZINC000414479333 1122044428 /nfs/dbraw/zinc/04/44/28/1122044428.db2.gz ADUDJPGEGNMFBA-KCMWZYNZSA-N 0 1 297.398 3.711 20 0 CHADMN Fc1ccc2c(c1)OCCC[C@H]2N[C@@H]1C[C@H]1C(F)(F)F ZINC000631754215 1129027460 /nfs/dbraw/zinc/02/74/60/1129027460.db2.gz BKAZCTHYDKLJAZ-IJLUTSLNSA-N 0 1 289.272 3.580 20 0 CHADMN Fc1ccc(CN2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000420942381 1122045890 /nfs/dbraw/zinc/04/58/90/1122045890.db2.gz HAFLYJKEDZGJPD-LBPRGKRZSA-N 0 1 275.289 3.990 20 0 CHADMN COC[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cccc(Cl)c1 ZINC000631753289 1129027582 /nfs/dbraw/zinc/02/75/82/1129027582.db2.gz JCDRGYQRLINGRL-UTUOFQBUSA-N 0 1 293.716 3.568 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CC[C@@H](C3CCCC3)C2)n1 ZINC000420959366 1122050738 /nfs/dbraw/zinc/05/07/38/1122050738.db2.gz DOHYKDKBQJHYMW-TZMCWYRMSA-N 0 1 277.412 3.766 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN1CCCO[C@@H](CF)C1 ZINC000414481815 1122051983 /nfs/dbraw/zinc/05/19/83/1122051983.db2.gz WPRHMZWJERLZGQ-AWEZNQCLSA-N 0 1 285.790 3.517 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cc(F)cc(F)c1 ZINC000631756109 1129028327 /nfs/dbraw/zinc/02/83/27/1129028327.db2.gz IVXJLPAZAPVDOK-DIMCTHFVSA-N 0 1 265.225 3.566 20 0 CHADMN Cc1ncc(CN[C@@H](CC(F)F)c2ccccc2)s1 ZINC000420997583 1122059389 /nfs/dbraw/zinc/05/93/89/1122059389.db2.gz SGXAPCZLRGRTQW-ZDUSSCGKSA-N 0 1 282.359 3.938 20 0 CHADMN CNc1ccc(C)cc1CN(Cc1cccnc1)C1CC1 ZINC001181526066 1122061382 /nfs/dbraw/zinc/06/13/82/1122061382.db2.gz RZUYULPUPPODAV-UHFFFAOYSA-N 0 1 281.403 3.596 20 0 CHADMN CC(C)c1nnc(CN2CC[C@@H](c3ccccc3)C2(C)C)[nH]1 ZINC000421025466 1122066940 /nfs/dbraw/zinc/06/69/40/1122066940.db2.gz YTQIPCAQQQUQES-HNNXBMFYSA-N 0 1 298.434 3.696 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2c(C)cccc2C)nn1C ZINC000502430181 1122082759 /nfs/dbraw/zinc/08/27/59/1122082759.db2.gz JZNSKLYYBWBQIZ-LSDHHAIUSA-N 0 1 271.408 3.757 20 0 CHADMN CCOC(=O)CC[N@@H+](C)[C@H](c1ccccc1Cl)C(C)C ZINC000502539394 1122101155 /nfs/dbraw/zinc/10/11/55/1122101155.db2.gz JMIFOMZFTCSSLU-INIZCTEOSA-N 0 1 297.826 3.922 20 0 CHADMN OC[C@@H](NCc1cccc(C2CC2)c1)c1ccc(F)cc1 ZINC000421363890 1122101383 /nfs/dbraw/zinc/10/13/83/1122101383.db2.gz MSLMBLAMUMBDHE-GOSISDBHSA-N 0 1 285.362 3.526 20 0 CHADMN CCN1CCCC[C@@H]1C(=O)Nc1ccccc1C(C)C ZINC001181993739 1122102404 /nfs/dbraw/zinc/10/24/04/1122102404.db2.gz IVWFLUNFRDRJOG-MRXNPFEDSA-N 0 1 274.408 3.623 20 0 CHADMN CCn1nccc1CN(C(C)C)[C@@H](C)c1ccsc1 ZINC000421377564 1122105642 /nfs/dbraw/zinc/10/56/42/1122105642.db2.gz SXRGRSZRMOVWNZ-ZDUSSCGKSA-N 0 1 277.437 3.936 20 0 CHADMN C[C@@H](Cc1ccsc1)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000689974676 1122106430 /nfs/dbraw/zinc/10/64/30/1122106430.db2.gz JPOVSDJCWJTBMF-JSGCOSHPSA-N 0 1 295.448 3.502 20 0 CHADMN Cc1ccccc1CC[N@@H+](C)Cc1ccc([O-])c(F)c1 ZINC001182021429 1122107222 /nfs/dbraw/zinc/10/72/22/1122107222.db2.gz VHMBUGFQKQBXIQ-UHFFFAOYSA-N 0 1 273.351 3.514 20 0 CHADMN Cc1ccccc1CC[N@H+](C)Cc1ccc([O-])c(F)c1 ZINC001182021429 1122107227 /nfs/dbraw/zinc/10/72/27/1122107227.db2.gz VHMBUGFQKQBXIQ-UHFFFAOYSA-N 0 1 273.351 3.514 20 0 CHADMN CC[C@H](C[NH2+]Cc1c(F)ccc([O-])c1F)CC(F)(F)F ZINC000414516379 1122108541 /nfs/dbraw/zinc/10/85/41/1122108541.db2.gz OICXSAIDQOTVAZ-QMMMGPOBSA-N 0 1 297.267 3.739 20 0 CHADMN Cc1cc(CNCc2cnc(CC(C)C)s2)cc(C)n1 ZINC000421394060 1122111094 /nfs/dbraw/zinc/11/10/94/1122111094.db2.gz ZCMDUIHSCLGIBU-UHFFFAOYSA-N 0 1 289.448 3.643 20 0 CHADMN CC(C)(C)CCN1CC(OCCCc2ccccc2)C1 ZINC001182215591 1122121349 /nfs/dbraw/zinc/12/13/49/1122121349.db2.gz FZKGQQMTKDVTCG-UHFFFAOYSA-N 0 1 275.436 3.756 20 0 CHADMN CC(C)c1cnc(CN2CC(C)(C)C[C@@H]2C)s1 ZINC000414524266 1122126900 /nfs/dbraw/zinc/12/69/00/1122126900.db2.gz KCZMCBJJKBNIHZ-NSHDSACASA-N 0 1 252.427 3.887 20 0 CHADMN CC(C)(C)c1ccncc1CNCc1cccn1C(F)F ZINC001182354688 1122146641 /nfs/dbraw/zinc/14/66/41/1122146641.db2.gz BEMDODARABMPEB-UHFFFAOYSA-N 0 1 293.361 3.866 20 0 CHADMN CSCCCN1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000502874812 1122152034 /nfs/dbraw/zinc/15/20/34/1122152034.db2.gz JEVGQBFLDBDGQA-HNNXBMFYSA-N 0 1 285.403 3.758 20 0 CHADMN Fc1ccc([C@H](NCc2cccc(F)n2)C2CC2)cc1 ZINC000774464502 1122167117 /nfs/dbraw/zinc/16/71/17/1122167117.db2.gz XHEBTMAQABNAMV-MRXNPFEDSA-N 0 1 274.314 3.601 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cccc2nsnc21 ZINC000271733975 1122172968 /nfs/dbraw/zinc/17/29/68/1122172968.db2.gz UPZIJPMCQFDGQR-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN CCCCC[C@H](CC)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000271794728 1122176942 /nfs/dbraw/zinc/17/69/42/1122176942.db2.gz HFTONSOMTLRUEA-GXTWGEPZSA-N 0 1 277.412 3.510 20 0 CHADMN Cc1ccc(C[N@@H+]2CC[C@@H](C(C)C)C2)c(Cl)n1 ZINC000688554857 1129036532 /nfs/dbraw/zinc/03/65/32/1129036532.db2.gz DKDFVJXADUGUPU-GFCCVEGCSA-N 0 1 252.789 3.521 20 0 CHADMN Cc1ccc(CN2CCO[C@@H](Cc3ccccc3)C2)cc1C ZINC001204355297 1122184435 /nfs/dbraw/zinc/18/44/35/1122184435.db2.gz IJRYSINSOBXAML-FQEVSTJZSA-N 0 1 295.426 3.747 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccccc1)c1cccc(F)c1F ZINC000271960405 1122184848 /nfs/dbraw/zinc/18/48/48/1122184848.db2.gz LKXGGBJVMHQOAM-BLLLJJGKSA-N 0 1 291.341 3.739 20 0 CHADMN COc1ccc(CN[C@H](CC(C)C)c2ccccc2)nc1 ZINC000271996788 1122185587 /nfs/dbraw/zinc/18/55/87/1122185587.db2.gz HFSTUWYEEIODSA-GOSISDBHSA-N 0 1 284.403 3.967 20 0 CHADMN C[C@]1(C2CC2)CN(Cc2ccc(C3CC3)cc2)CCO1 ZINC001182864948 1122192986 /nfs/dbraw/zinc/19/29/86/1122192986.db2.gz PEMOWUMCDGTWRK-GOSISDBHSA-N 0 1 271.404 3.565 20 0 CHADMN C[C@H](NCc1ccc(OC(C)(C)C)nc1)c1cncs1 ZINC000272340780 1122198652 /nfs/dbraw/zinc/19/86/52/1122198652.db2.gz OWQJGVAESOFSNR-NSHDSACASA-N 0 1 291.420 3.566 20 0 CHADMN Clc1ccc(CN2CCSC3(CCCCC3)C2)cn1 ZINC000079504125 1129038022 /nfs/dbraw/zinc/03/80/22/1129038022.db2.gz YXVNUZFIZPKASV-UHFFFAOYSA-N 0 1 296.867 3.987 20 0 CHADMN COCC[C@H](N[C@H](C)c1cccs1)c1ccco1 ZINC000272582650 1122206129 /nfs/dbraw/zinc/20/61/29/1122206129.db2.gz QQARKGHWXLFPGF-NEPJUHHUSA-N 0 1 265.378 3.770 20 0 CHADMN C[C@H](N[C@H]1CCCOc2c(F)cccc21)c1cncs1 ZINC000272611834 1122208175 /nfs/dbraw/zinc/20/81/75/1122208175.db2.gz KPBOVUZAJKZOLZ-GWCFXTLKSA-N 0 1 292.379 3.847 20 0 CHADMN C[C@H](O)[C@H]1CCN([C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000272641566 1122209021 /nfs/dbraw/zinc/20/90/21/1122209021.db2.gz XPXPQFPPOKVCEM-DCAQKATOSA-N 0 1 288.218 3.757 20 0 CHADMN COc1cc(F)c(C)cc1CN1CCC(OC(C)C)CC1 ZINC001250110505 1122220888 /nfs/dbraw/zinc/22/08/88/1122220888.db2.gz YODNHKDQMOGNGK-UHFFFAOYSA-N 0 1 295.398 3.532 20 0 CHADMN COc1cc(C)c([C@@H](C)N[C@@H]2CCCc3c[nH]nc32)cc1C ZINC000273138605 1122222103 /nfs/dbraw/zinc/22/21/03/1122222103.db2.gz CSNMEVCEBUYVCV-CZUORRHYSA-N 0 1 299.418 3.763 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cccn1C(F)F ZINC001183427466 1122222694 /nfs/dbraw/zinc/22/26/94/1122222694.db2.gz AHLOSKKTDAYPSI-LLVKDONJSA-N 0 1 280.318 3.743 20 0 CHADMN CC1(C)C[C@H]1N[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000273385538 1122230574 /nfs/dbraw/zinc/23/05/74/1122230574.db2.gz RSQXRFKEIBNNPA-HZPDHXFCSA-N 0 1 270.351 3.698 20 0 CHADMN Cc1cccc(CN2CC[C@](C)(C(F)(F)F)C2)c1F ZINC001183673594 1122234191 /nfs/dbraw/zinc/23/41/91/1122234191.db2.gz RYPVHWBAUJEJSZ-ZDUSSCGKSA-N 0 1 275.289 3.908 20 0 CHADMN CCC[C@H](NCc1ccc(F)cc1F)c1cccnc1 ZINC000273618470 1122240811 /nfs/dbraw/zinc/24/08/11/1122240811.db2.gz YJOMDNGITSIYDD-INIZCTEOSA-N 0 1 276.330 3.991 20 0 CHADMN Cc1sc(NC(=O)c2ccc(F)cc2O)nc1C(C)C ZINC001183965917 1122249292 /nfs/dbraw/zinc/24/92/92/1122249292.db2.gz ZKXIWWLBJAUKLD-UHFFFAOYSA-N 0 1 294.351 3.672 20 0 CHADMN COCC[N@H+](Cc1cccc([O-])c1Cl)[C@@H]1CC[C@H](C)C1 ZINC000353181466 1122259898 /nfs/dbraw/zinc/25/98/98/1122259898.db2.gz MEEYTGZXXMBTCM-GXTWGEPZSA-N 0 1 297.826 3.683 20 0 CHADMN COCC[N@@H+](Cc1cccc([O-])c1Cl)[C@@H]1CC[C@H](C)C1 ZINC000353181466 1122259904 /nfs/dbraw/zinc/25/99/04/1122259904.db2.gz MEEYTGZXXMBTCM-GXTWGEPZSA-N 0 1 297.826 3.683 20 0 CHADMN CC[C@H](F)CN[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503403994 1122260061 /nfs/dbraw/zinc/26/00/61/1122260061.db2.gz GLEMYQVTVNSGNQ-BPNCWPANSA-N 0 1 255.764 3.913 20 0 CHADMN Cc1cccc2c1CN(c1ccnc(C)c1Cl)CC2 ZINC000503593282 1122269576 /nfs/dbraw/zinc/26/95/76/1122269576.db2.gz WETSDVIMEQHQSK-UHFFFAOYSA-N 0 1 272.779 3.915 20 0 CHADMN Brc1cccnc1CN[C@H]1CC[C@@H]1C1CCC1 ZINC001184339388 1122271855 /nfs/dbraw/zinc/27/18/55/1122271855.db2.gz QGIKSDQTVWTZGJ-YPMHNXCESA-N 0 1 295.224 3.512 20 0 CHADMN CCc1cc(OC)ccc1CN1CCc2ccc(O)cc2C1 ZINC000503909634 1122278850 /nfs/dbraw/zinc/27/88/50/1122278850.db2.gz JWTKJVABGYVKKV-UHFFFAOYSA-N 0 1 297.398 3.522 20 0 CHADMN Cc1cccc2nc(NC(=O)[C@@H]3CCC[C@@H](C)C3)[nH]c21 ZINC001184504116 1122281750 /nfs/dbraw/zinc/28/17/50/1122281750.db2.gz SNEAIMJKJOQKDL-ZYHUDNBSSA-N 0 1 271.364 3.636 20 0 CHADMN C[C@@H]1C[C@H](C)CN(c2ccncc2C(F)(F)F)C1 ZINC001184617869 1122288578 /nfs/dbraw/zinc/28/85/78/1122288578.db2.gz SGHSIFZBVCFVNZ-AOOOYVTPSA-N 0 1 258.287 3.583 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(c2ccncc2C(F)(F)F)C1 ZINC001184617870 1122288659 /nfs/dbraw/zinc/28/86/59/1122288659.db2.gz SGHSIFZBVCFVNZ-NXEZZACHSA-N 0 1 258.287 3.583 20 0 CHADMN CN(Cc1c(F)cccc1F)CC1CCCCC1 ZINC000620235639 1129044621 /nfs/dbraw/zinc/04/46/21/1129044621.db2.gz GWHUPTQEMNWQDG-UHFFFAOYSA-N 0 1 253.336 3.977 20 0 CHADMN C[C@]1(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)C[C@@H]1F ZINC000424629865 1122321490 /nfs/dbraw/zinc/32/14/90/1122321490.db2.gz OZDJBYPAKILILG-BBRMVZONSA-N 0 1 287.338 3.517 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@@H]1CCC[C@@H](F)C1 ZINC000424747144 1122338791 /nfs/dbraw/zinc/33/87/91/1122338791.db2.gz FSBKNNMJHMFMNY-RKDXNWHRSA-N 0 1 271.719 3.512 20 0 CHADMN FC(F)(F)c1cnccc1N[C@@H]1C[C@@H]1C1CCCCC1 ZINC001185555250 1122346155 /nfs/dbraw/zinc/34/61/55/1122346155.db2.gz MUTKZWGXNWXXDP-BXUZGUMPSA-N 0 1 284.325 3.903 20 0 CHADMN CSC[C@@H]1CCCN(Cc2ccc(C)nc2Cl)C1 ZINC000688580357 1129048389 /nfs/dbraw/zinc/04/83/89/1129048389.db2.gz XHESXTHUJPUGAG-GFCCVEGCSA-N 0 1 284.856 3.618 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@H]2CCCC[C@H]2C)c1 ZINC000424841816 1122348715 /nfs/dbraw/zinc/34/87/15/1122348715.db2.gz ZZWAWKXSMHWMHI-YPMHNXCESA-N 0 1 289.375 3.750 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cc[nH]c3C(C)C)cc2[nH]1 ZINC000505233016 1122350289 /nfs/dbraw/zinc/35/02/89/1122350289.db2.gz ZFWPEHNTDQBDPN-UHFFFAOYSA-N 0 1 282.347 3.575 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN(C)Cc1ccccc1 ZINC000505253144 1122351808 /nfs/dbraw/zinc/35/18/08/1122351808.db2.gz CXLJJMZKYGCICA-UHFFFAOYSA-N 0 1 285.435 3.887 20 0 CHADMN Clc1ccc([C@H]2CCN2C[C@H]2CCC=CO2)cc1 ZINC000774909373 1122352311 /nfs/dbraw/zinc/35/23/11/1122352311.db2.gz PMBAYJKAJFYLBW-HUUCEWRRSA-N 0 1 263.768 3.780 20 0 CHADMN Clc1ccc([C@H]2CCN2C[C@@H]2CCC=CO2)cc1 ZINC000774909375 1122352385 /nfs/dbraw/zinc/35/23/85/1122352385.db2.gz PMBAYJKAJFYLBW-LSDHHAIUSA-N 0 1 263.768 3.780 20 0 CHADMN C[C@H]1CC(C)(C)CC[C@H]1Nc1nc(Cl)nc2[nH]cnc21 ZINC001185620538 1122353915 /nfs/dbraw/zinc/35/39/15/1122353915.db2.gz KTTQBGVBCWCBII-DTWKUNHWSA-N 0 1 293.802 3.633 20 0 CHADMN CCCn1c2ccccc2nc1CN1CCC[C@@H](C)C1 ZINC000505313554 1122355640 /nfs/dbraw/zinc/35/56/40/1122355640.db2.gz HDJQJSZDNIUXEK-CQSZACIVSA-N 0 1 271.408 3.678 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2csc(C(C)(C)C)n2)C1 ZINC000505346508 1122358553 /nfs/dbraw/zinc/35/85/53/1122358553.db2.gz WUSYCBYHWIBSTQ-RYUDHWBXSA-N 0 1 266.454 3.919 20 0 CHADMN C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H](C)CC1 ZINC000514099925 1122378989 /nfs/dbraw/zinc/37/89/89/1122378989.db2.gz OSQUGVXPAZSJAU-UONOGXRCSA-N 0 1 285.391 3.920 20 0 CHADMN CSc1ccc(CNc2ccncc2C(F)(F)F)cc1 ZINC001186166616 1122379081 /nfs/dbraw/zinc/37/90/81/1122379081.db2.gz JAZFIYDCXFQTIZ-UHFFFAOYSA-N 0 1 298.333 3.856 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)C1(C(F)F)CCC1 ZINC000632517282 1129050939 /nfs/dbraw/zinc/05/09/39/1129050939.db2.gz GYKLFGOPDNCSHG-UHFFFAOYSA-N 0 1 293.672 3.559 20 0 CHADMN CCCCN(CCCC)C(=O)c1cc2[nH]cnc2cc1F ZINC000425147538 1122395846 /nfs/dbraw/zinc/39/58/46/1122395846.db2.gz RRHMAFYPAFWVPV-UHFFFAOYSA-N 0 1 291.370 3.744 20 0 CHADMN OCCCCCC/N=C/c1cc(Cl)cc(Cl)c1O ZINC000183384964 1129051674 /nfs/dbraw/zinc/05/16/74/1129051674.db2.gz HCXCTAVRJXVLSF-CXUHLZMHSA-N 0 1 290.190 3.671 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1CNc1nc(Cl)nc2[nH]cnc21 ZINC001186585878 1122398850 /nfs/dbraw/zinc/39/88/50/1122398850.db2.gz SXVYFCPPMJPPIH-NXEZZACHSA-N 0 1 293.802 3.586 20 0 CHADMN Cc1nc2ccc(CC(=O)c3ccc(F)cc3F)cc2[nH]1 ZINC001250250489 1122401109 /nfs/dbraw/zinc/40/11/09/1122401109.db2.gz HVHFGVNVPNALIG-UHFFFAOYSA-N 0 1 286.281 3.575 20 0 CHADMN CCCOc1ccc(CN(C)Cc2ccncc2)cc1C ZINC001205365519 1122401847 /nfs/dbraw/zinc/40/18/47/1122401847.db2.gz ACNCZRFNZBITCR-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN CCCCCN(CCCOC)Cc1c(F)cccc1F ZINC001642685361 1129052107 /nfs/dbraw/zinc/05/21/07/1129052107.db2.gz SOUXLKUNAFJPPL-UHFFFAOYSA-N 0 1 285.378 3.994 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2ccncc2F)cc1C ZINC000510007634 1122405482 /nfs/dbraw/zinc/40/54/82/1122405482.db2.gz WBQWADPFWNOBNM-AWEZNQCLSA-N 0 1 272.367 3.997 20 0 CHADMN Cc1ccc([C@]2(C)CCN(Cc3nccn3C(C)C)C2)cc1 ZINC000434734382 1122409787 /nfs/dbraw/zinc/40/97/87/1122409787.db2.gz FMKZFEZNVYVFCK-LJQANCHMSA-N 0 1 297.446 3.936 20 0 CHADMN COc1cc(Cl)cc(C[N@H+]([C@H](C)C2CC2)C2CC2)c1[O-] ZINC000184680797 1129235543 /nfs/dbraw/zinc/23/55/43/1129235543.db2.gz KMDPSWYPJVTODZ-SNVBAGLBSA-N 0 1 295.810 3.817 20 0 CHADMN COc1cc(Cl)cc(C[N@@H+]([C@H](C)C2CC2)C2CC2)c1[O-] ZINC000184680797 1129235546 /nfs/dbraw/zinc/23/55/46/1129235546.db2.gz KMDPSWYPJVTODZ-SNVBAGLBSA-N 0 1 295.810 3.817 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCSC(C)(C)C1 ZINC000434904850 1122421205 /nfs/dbraw/zinc/42/12/05/1122421205.db2.gz PHPATLQYJRGVLT-JTQLQIEISA-N 0 1 271.376 3.853 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCSC(C)(C)C1 ZINC000434904850 1122421207 /nfs/dbraw/zinc/42/12/07/1122421207.db2.gz PHPATLQYJRGVLT-JTQLQIEISA-N 0 1 271.376 3.853 20 0 CHADMN COCCOc1ccccc1CN1CC[C@H]1c1ccccc1 ZINC000434982759 1122424943 /nfs/dbraw/zinc/42/49/43/1122424943.db2.gz RHZKNDNDLCJMGA-SFHVURJKSA-N 0 1 297.398 3.659 20 0 CHADMN C[C@@H]1CCCC[C@@H]1NCc1noc(-c2ccccc2F)n1 ZINC000435023445 1122428804 /nfs/dbraw/zinc/42/88/04/1122428804.db2.gz KIIVMAAJEDCDJN-RISCZKNCSA-N 0 1 289.354 3.544 20 0 CHADMN CC[C@@H]1CO[C@@H](C)CN1Cc1cc2ccccc2s1 ZINC000505608014 1122434709 /nfs/dbraw/zinc/43/47/09/1122434709.db2.gz GVYMJCXSDCLMNX-GXTWGEPZSA-N 0 1 275.417 3.901 20 0 CHADMN CCc1ccccc1NC(=O)Nc1cc(O)c(F)c(F)c1 ZINC001187641655 1122435421 /nfs/dbraw/zinc/43/54/21/1122435421.db2.gz MGLSJITZYXCERY-UHFFFAOYSA-N 0 1 292.285 3.877 20 0 CHADMN CCc1nn(C)c(CC)c1CN(C)Cc1ccc(CC)cc1 ZINC000505610508 1122436277 /nfs/dbraw/zinc/43/62/77/1122436277.db2.gz MSLLJVPVKLHPEA-UHFFFAOYSA-N 0 1 299.462 3.739 20 0 CHADMN CCc1ccccc1NC(=O)Nc1ccc(F)c(F)c1O ZINC001187644108 1122436652 /nfs/dbraw/zinc/43/66/52/1122436652.db2.gz UZHAEPSZFUCSNF-UHFFFAOYSA-N 0 1 292.285 3.877 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435130885 1122436705 /nfs/dbraw/zinc/43/67/05/1122436705.db2.gz WGWGIKMXVFAFRU-LLVKDONJSA-N 0 1 287.388 3.924 20 0 CHADMN C[C@@H]1CCCCN1CC(=O)Nc1ccccc1C(C)(C)C ZINC000510021596 1122440777 /nfs/dbraw/zinc/44/07/77/1122440777.db2.gz UGCUULXXIQBSOZ-CQSZACIVSA-N 0 1 288.435 3.797 20 0 CHADMN COc1ccccc1/C=C/CN(C)Cc1occc1C ZINC000430136200 1122441020 /nfs/dbraw/zinc/44/10/20/1122441020.db2.gz HVWZPEJNSYWLQY-SOFGYWHQSA-N 0 1 271.360 3.742 20 0 CHADMN CC[C@]1(C)CC[N@H+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000514728292 1122443897 /nfs/dbraw/zinc/44/38/97/1122443897.db2.gz AIPMAAQQAKLGLV-DZGCQCFKSA-N 0 1 299.773 3.727 20 0 CHADMN CCc1ccc(C(C)(C)NCc2cc(OC)ns2)cc1 ZINC000660199764 1129055141 /nfs/dbraw/zinc/05/51/41/1129055141.db2.gz LUJQMMURYRPOEO-UHFFFAOYSA-N 0 1 290.432 3.739 20 0 CHADMN COc1cc2c(c(CN(C)Cc3ccccc3)c1)O[C@H](C)C2 ZINC000435236019 1122445883 /nfs/dbraw/zinc/44/58/83/1122445883.db2.gz GXTLQHZBMFAIQN-CQSZACIVSA-N 0 1 297.398 3.651 20 0 CHADMN CCC[C@H](NC(=O)c1cc2[nH]cnc2cc1F)C(C)(C)C ZINC000425305806 1122446247 /nfs/dbraw/zinc/44/62/47/1122446247.db2.gz BIZKZZQZJQRHMT-AWEZNQCLSA-N 0 1 291.370 3.647 20 0 CHADMN CC(C)n1cncc1CN(C)[C@H](C)c1ccccc1 ZINC000425324338 1122454004 /nfs/dbraw/zinc/45/40/04/1122454004.db2.gz MIIHHJJVBWTIRT-CQSZACIVSA-N 0 1 257.381 3.657 20 0 CHADMN CC(C)(C)CCCSc1nc(-c2ccccn2)n[nH]1 ZINC001188094672 1122454641 /nfs/dbraw/zinc/45/46/41/1122454641.db2.gz OGXXJFDCQIARJL-UHFFFAOYSA-N 0 1 276.409 3.785 20 0 CHADMN CC(C)n1cncc1CN1CCC[C@H]2CCCC[C@H]21 ZINC000425339284 1122457365 /nfs/dbraw/zinc/45/73/65/1122457365.db2.gz RPYKGJSILUOHBL-GDBMZVCRSA-N 0 1 261.413 3.619 20 0 CHADMN CC(C)n1cncc1CN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000425339252 1122457498 /nfs/dbraw/zinc/45/74/98/1122457498.db2.gz RKJFJKAINBHYBE-RHSMWYFYSA-N 0 1 269.392 3.657 20 0 CHADMN Cc1cc(C(=O)Nc2c(Cl)ccc(O)c2Cl)c[nH]1 ZINC001188198420 1122458303 /nfs/dbraw/zinc/45/83/03/1122458303.db2.gz VJWQGECTIGJRNE-UHFFFAOYSA-N 0 1 285.130 3.588 20 0 CHADMN Cn1c(Cl)cnc1CN1CCC[C@@H]1C1CCCCC1 ZINC000079905510 1129056082 /nfs/dbraw/zinc/05/60/82/1129056082.db2.gz CEJKUAUTZQJNBI-CYBMUJFWSA-N 0 1 281.831 3.618 20 0 CHADMN CC(C)(C)C1CCC(CSc2nc(N)cc(N)n2)CC1 ZINC001188292933 1122460221 /nfs/dbraw/zinc/46/02/21/1122460221.db2.gz XEVXZPAVDVJXQC-UHFFFAOYSA-N 0 1 294.468 3.586 20 0 CHADMN Cn1c(Cl)cnc1CN1CCC[C@H]1C1CCCCC1 ZINC000079905512 1129056346 /nfs/dbraw/zinc/05/63/46/1129056346.db2.gz CEJKUAUTZQJNBI-ZDUSSCGKSA-N 0 1 281.831 3.618 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)[C@H]2CCC[C@H](C)C2)[nH]1 ZINC000283600776 1122462944 /nfs/dbraw/zinc/46/29/44/1122462944.db2.gz YHCYRTBNDIPLAY-AAEUAGOBSA-N 0 1 285.391 3.522 20 0 CHADMN CCCC(=O)Nc1ccc(-c2csc([C@@H](C)N)n2)cc1 ZINC000435415425 1122463291 /nfs/dbraw/zinc/46/32/91/1122463291.db2.gz BOBFWADTOXSELX-SNVBAGLBSA-N 0 1 289.404 3.568 20 0 CHADMN CC(C)(C)C[C@@H]1CCC[N@H+]1CCCCCC(=O)[O-] ZINC000514945850 1122464338 /nfs/dbraw/zinc/46/43/38/1122464338.db2.gz YGENFUCCQRWNES-ZDUSSCGKSA-N 0 1 255.402 3.532 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2cc(O)ccc2Br)C1 ZINC000131827831 1122467447 /nfs/dbraw/zinc/46/74/47/1122467447.db2.gz GWDXGLWWNGMJIE-GHMZBOCLSA-N 0 1 298.224 3.633 20 0 CHADMN C[C@H](N[C@H]1CCCN(C)c2ccccc21)c1ccoc1 ZINC000515038835 1122472318 /nfs/dbraw/zinc/47/23/18/1122472318.db2.gz IFLPGLQPOAYHRY-BBRMVZONSA-N 0 1 270.376 3.902 20 0 CHADMN CC[C@H]1CO[C@@H](C)CN1CCCOc1cc(C)ccc1C ZINC000515139367 1122479297 /nfs/dbraw/zinc/47/92/97/1122479297.db2.gz QCQBXZDQIYMTQE-IRXDYDNUSA-N 0 1 291.435 3.572 20 0 CHADMN CSc1ccc2nc(-c3ccc(NC(C)=O)cc3)[nH]c2c1 ZINC000435682835 1122481382 /nfs/dbraw/zinc/48/13/82/1122481382.db2.gz GIOHKVRDWADWKG-UHFFFAOYSA-N 0 1 297.383 3.910 20 0 CHADMN Cc1cc(-c2noc(CC(C)(C)C3CC3)n2)cc2nc[nH]c21 ZINC000515224907 1122485065 /nfs/dbraw/zinc/48/50/65/1122485065.db2.gz OOKRDPPJBBZRLW-UHFFFAOYSA-N 0 1 296.374 3.900 20 0 CHADMN CC[C@@]1(C)C[N@@H+](CCCCCOc2ccccc2)CCO1 ZINC001205425576 1122485173 /nfs/dbraw/zinc/48/51/73/1122485173.db2.gz AIAAXAUUGYQKMG-SFHVURJKSA-N 0 1 291.435 3.737 20 0 CHADMN COc1ccccc1S[C@@H]1CCN(Cc2ccco2)C1 ZINC001203283415 1122493857 /nfs/dbraw/zinc/49/38/57/1122493857.db2.gz HDRFLVJRRLLSHI-CQSZACIVSA-N 0 1 289.400 3.655 20 0 CHADMN Clc1ccc(O[C@@H]2CCCN(Cc3ccco3)C2)cc1 ZINC001203285526 1122512065 /nfs/dbraw/zinc/51/20/65/1122512065.db2.gz MLDFLQNUKVKPBM-MRXNPFEDSA-N 0 1 291.778 3.976 20 0 CHADMN Cc1noc(CN([C@@H](C)c2ccccc2)C2CCCC2)n1 ZINC000425463696 1122513770 /nfs/dbraw/zinc/51/37/70/1122513770.db2.gz YKLHOGCPAZKDKI-ZDUSSCGKSA-N 0 1 285.391 3.884 20 0 CHADMN Cc1cc(CSc2nc(Cc3ccccc3)c(C)[nH]2)on1 ZINC000032388754 1122517102 /nfs/dbraw/zinc/51/71/02/1122517102.db2.gz WRLKMROVJWAVQC-UHFFFAOYSA-N 0 1 299.399 3.898 20 0 CHADMN C[C@]1(CNC2(c3ccccc3F)CC2)CC1(Cl)Cl ZINC000828693876 1122527345 /nfs/dbraw/zinc/52/73/45/1122527345.db2.gz XZAZOPMWDMYWOV-GFCCVEGCSA-N 0 1 288.193 3.988 20 0 CHADMN CC1=CCCN(CCc2c(F)cccc2Cl)C1 ZINC000436256405 1122528963 /nfs/dbraw/zinc/52/89/63/1122528963.db2.gz BFWHRDVSGJTRTK-UHFFFAOYSA-N 0 1 253.748 3.674 20 0 CHADMN CC1=CCCN(Cc2ccccc2Br)C1 ZINC000436263911 1122529689 /nfs/dbraw/zinc/52/96/89/1122529689.db2.gz ITTASQDPDHAEAX-UHFFFAOYSA-N 0 1 266.182 3.601 20 0 CHADMN CC[C@@](C)(NCc1c(C)nn(C)c1Cl)c1ccccc1 ZINC000775386807 1122537282 /nfs/dbraw/zinc/53/72/82/1122537282.db2.gz GZYYIIMBXWPMIW-MRXNPFEDSA-N 0 1 291.826 3.797 20 0 CHADMN FCCN[C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000436311251 1122539054 /nfs/dbraw/zinc/53/90/54/1122539054.db2.gz SDUMPMBRTZXBJX-HNNXBMFYSA-N 0 1 278.758 3.578 20 0 CHADMN CCc1noc(C)c1CN[C@](C)(CC)c1ccccc1 ZINC000775388899 1122540035 /nfs/dbraw/zinc/54/00/35/1122540035.db2.gz UWEQPPDMCDTCTI-QGZVFWFLSA-N 0 1 272.392 3.960 20 0 CHADMN CCCN(Cc1ccc(F)cc1F)C[C@H]1CC(C)(C)CO1 ZINC001190605877 1122547613 /nfs/dbraw/zinc/54/76/13/1122547613.db2.gz QACARDDWSXMXEM-OAHLLOKOSA-N 0 1 297.389 3.992 20 0 CHADMN CCCN(Cc1ccc(F)cc1F)C[C@@H]1CC(C)(C)CO1 ZINC001190605876 1122548130 /nfs/dbraw/zinc/54/81/30/1122548130.db2.gz QACARDDWSXMXEM-HNNXBMFYSA-N 0 1 297.389 3.992 20 0 CHADMN CCN(Cc1ccccc1F)C[C@H]1CCCC(C)(C)O1 ZINC001190627849 1122549401 /nfs/dbraw/zinc/54/94/01/1122549401.db2.gz NYRDDOUMXWLASM-OAHLLOKOSA-N 0 1 279.399 3.995 20 0 CHADMN FC(F)(F)COCCN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000505826077 1122551961 /nfs/dbraw/zinc/55/19/61/1122551961.db2.gz OKMJQNKDLRFMCX-WHLNPGIBSA-N 0 1 299.336 3.743 20 0 CHADMN COc1ccc(CN2CCC(C)CC2)c(OC(F)F)c1 ZINC000505842219 1122558461 /nfs/dbraw/zinc/55/84/61/1122558461.db2.gz FUNDHVSCYFOLAS-UHFFFAOYSA-N 0 1 285.334 3.529 20 0 CHADMN Cl/C=C(/Cl)CN[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000775422768 1122560421 /nfs/dbraw/zinc/56/04/21/1122560421.db2.gz ZCBYQIWIGRKOLU-ZMCCTTKHSA-N 0 1 286.202 3.673 20 0 CHADMN CCS[C@@H]1CCCCN(CC=C(Cl)Cl)C1 ZINC001190934400 1122560894 /nfs/dbraw/zinc/56/08/94/1122560894.db2.gz LXQDMMYJMQAJPE-SNVBAGLBSA-N 0 1 268.253 3.913 20 0 CHADMN Cc1ccc(C(=O)Nc2cccc(Cl)c2O)c(O)c1C ZINC000436606449 1122565174 /nfs/dbraw/zinc/56/51/74/1122565174.db2.gz RBMZRBOFZFOGEH-UHFFFAOYSA-N 0 1 291.734 3.620 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(O)c(Cl)c1 ZINC000436637711 1122566714 /nfs/dbraw/zinc/56/67/14/1122566714.db2.gz AMURWGHSQMJEGZ-UHIISALHSA-N 0 1 293.794 3.839 20 0 CHADMN C[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2O)[C@@H]1C ZINC000436624909 1122566858 /nfs/dbraw/zinc/56/68/58/1122566858.db2.gz BNYYREYPOLQXPL-NXEZZACHSA-N 0 1 289.762 3.679 20 0 CHADMN Cc1cc(-c2nc3ccc(F)cc3[nH]2)cc(C)c1O ZINC000436653305 1122567763 /nfs/dbraw/zinc/56/77/63/1122567763.db2.gz BGKGHQCJYZHAPH-UHFFFAOYSA-N 0 1 256.280 3.691 20 0 CHADMN O[C@@H]1CCCN(Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000505869180 1122574998 /nfs/dbraw/zinc/57/49/98/1122574998.db2.gz VKINBFKBFOYQMA-CYBMUJFWSA-N 0 1 291.391 3.511 20 0 CHADMN CCc1ccc([C@H]2CCCCCN2CC2=NOCC2)o1 ZINC001191121937 1122575472 /nfs/dbraw/zinc/57/54/72/1122575472.db2.gz ONFJOPKYBYXQMP-OAHLLOKOSA-N 0 1 276.380 3.535 20 0 CHADMN C=C/C=C/CCN1C[C@H](c2ccccc2C)OC[C@H]1C ZINC001191085907 1122576172 /nfs/dbraw/zinc/57/61/72/1122576172.db2.gz VSQXUVPLSJMDGX-WXFDERKXSA-N 0 1 271.404 3.889 20 0 CHADMN CC(C)CN(CC(C)(C)C)C(=O)c1c(O)cccc1F ZINC000436773714 1122581059 /nfs/dbraw/zinc/58/10/59/1122581059.db2.gz KJPJLMASHOVDJA-UHFFFAOYSA-N 0 1 281.371 3.676 20 0 CHADMN CC(C)[C@@H]1CN(Cc2nsc3ccccc32)CCS1 ZINC001191223476 1122586001 /nfs/dbraw/zinc/58/60/01/1122586001.db2.gz OJKIRIYJDVBACY-HNNXBMFYSA-N 0 1 292.473 3.870 20 0 CHADMN CCc1ccc(O)c(NC(=O)c2ccc(Cl)cc2O)c1 ZINC000436836340 1122586827 /nfs/dbraw/zinc/58/68/27/1122586827.db2.gz CXSXMIBXHADUJI-UHFFFAOYSA-N 0 1 291.734 3.566 20 0 CHADMN CN(C)c1cccc(CNC2(c3ccccc3F)CC2)c1 ZINC000775448275 1122592831 /nfs/dbraw/zinc/59/28/31/1122592831.db2.gz IVKBNBWZVDJKFI-UHFFFAOYSA-N 0 1 284.378 3.671 20 0 CHADMN CN(C(=O)c1ccc(O)c(Cl)c1)[C@@H]1CCC(C)(C)C1 ZINC000436919134 1122595001 /nfs/dbraw/zinc/59/50/01/1122595001.db2.gz BKPPLGUGISDGAO-LLVKDONJSA-N 0 1 281.783 3.696 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCCC[C@@H]1CC1CCC1 ZINC000620568149 1129065065 /nfs/dbraw/zinc/06/50/65/1129065065.db2.gz JYNOWWYDTJVQCV-CYBMUJFWSA-N 0 1 291.366 3.716 20 0 CHADMN CCc1c(Cl)cc(NC(=O)NC2CC2)c(O)c1Cl ZINC001191482506 1122601060 /nfs/dbraw/zinc/60/10/60/1122601060.db2.gz KQMSOARLLUWMST-UHFFFAOYSA-N 0 1 289.162 3.545 20 0 CHADMN CSc1cccc(NC(=O)c2c(O)cccc2F)c1C ZINC000436989982 1122601038 /nfs/dbraw/zinc/60/10/38/1122601038.db2.gz QDAPNRJAUKJNLJ-UHFFFAOYSA-N 0 1 291.347 3.814 20 0 CHADMN CCCC[C@@H](C(=O)OC)N1CCC(CCC(C)C)CC1 ZINC001191611193 1122607584 /nfs/dbraw/zinc/60/75/84/1122607584.db2.gz YHLBCCUSUCAUSE-INIZCTEOSA-N 0 1 283.456 3.866 20 0 CHADMN Cc1ccc(Cl)c(NC(=O)Nc2ncc(F)cc2O)c1 ZINC001191677509 1122608546 /nfs/dbraw/zinc/60/85/46/1122608546.db2.gz XUZVARXVYLXRJO-UHFFFAOYSA-N 0 1 295.701 3.532 20 0 CHADMN O=C(c1cccc2[nH]cnc21)N1CCCC[C@@H]1CC1CCC1 ZINC000620569670 1129065917 /nfs/dbraw/zinc/06/59/17/1129065917.db2.gz ZUPIMOMKTIJVJI-CQSZACIVSA-N 0 1 297.402 3.748 20 0 CHADMN Cc1ccnc([C@H]2CCN(Cc3cccc(F)c3F)C2)c1 ZINC000516580247 1122614647 /nfs/dbraw/zinc/61/46/47/1122614647.db2.gz FAPPXASOYJKMLR-ZDUSSCGKSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1ccc(C)c(CN[C@@H](c2ccccc2F)[C@@H](C)O)c1 ZINC000516655776 1122618918 /nfs/dbraw/zinc/61/89/18/1122618918.db2.gz LMCNVDLFJVQGIE-RDTXWAMCSA-N 0 1 287.378 3.654 20 0 CHADMN Cc1ccc(-c2ncc(CN3CCC=C(C)C3)s2)o1 ZINC000437347909 1122628116 /nfs/dbraw/zinc/62/81/16/1122628116.db2.gz QPAMWJPQVHWYKK-UHFFFAOYSA-N 0 1 274.389 3.864 20 0 CHADMN Cc1ccc(C)c(CN2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC001203751661 1122632602 /nfs/dbraw/zinc/63/26/02/1122632602.db2.gz JNGAXQPTBNMARA-FQEVSTJZSA-N 0 1 295.426 3.747 20 0 CHADMN CCOC(=O)CN(Cc1cc(C)ccc1C)C1CCCC1 ZINC001203751688 1122633262 /nfs/dbraw/zinc/63/32/62/1122633262.db2.gz KQLJCWSEALBXOW-UHFFFAOYSA-N 0 1 289.419 3.611 20 0 CHADMN CCN(Cc1cnc2ccc(C)cn12)Cc1cccc(F)c1 ZINC000506055061 1122636027 /nfs/dbraw/zinc/63/60/27/1122636027.db2.gz HPPDKFPBFSBUHH-UHFFFAOYSA-N 0 1 297.377 3.804 20 0 CHADMN C[C@H](N(C)CC(=O)Nc1cccc2ccccc21)C1(C)CC1 ZINC000437523785 1122638254 /nfs/dbraw/zinc/63/82/54/1122638254.db2.gz LKCDOHRSBGFPSB-AWEZNQCLSA-N 0 1 296.414 3.899 20 0 CHADMN Cc1cc(NC(=O)Nc2ncc(Cl)cc2O)ccc1F ZINC001192348241 1122641038 /nfs/dbraw/zinc/64/10/38/1122641038.db2.gz WTJFPAOANWBDGZ-UHFFFAOYSA-N 0 1 295.701 3.532 20 0 CHADMN C[C@H](c1ccccc1)N(CCO)Cc1ccc(Cl)s1 ZINC001192358655 1122641899 /nfs/dbraw/zinc/64/18/99/1122641899.db2.gz MARGAEYPWUCDIQ-GFCCVEGCSA-N 0 1 295.835 3.957 20 0 CHADMN Cc1ccc(N(C)[C@@H]2CCC[N@@H+](C/C=C\Cl)C2)cc1 ZINC001192491024 1122648672 /nfs/dbraw/zinc/64/86/72/1122648672.db2.gz YNFWGURKDVZPEH-AGHZKPIHSA-N 0 1 278.827 3.648 20 0 CHADMN Cc1ccc(-c2nc3cc4c(cc3[nH]2)OCC4)s1 ZINC001250473574 1122649889 /nfs/dbraw/zinc/64/98/89/1122649889.db2.gz NURFGESSQGXQMD-UHFFFAOYSA-N 0 1 256.330 3.535 20 0 CHADMN CO[C@@H](CC(C)C)CN(C)Cc1cc(F)c(F)c(F)c1 ZINC001192534964 1122651190 /nfs/dbraw/zinc/65/11/90/1122651190.db2.gz AKDKYVXFINVUDH-LBPRGKRZSA-N 0 1 289.341 3.597 20 0 CHADMN C[C@H]1CCN(CCc2ccc(Cl)cc2)C[C@H]1F ZINC001192546272 1122651780 /nfs/dbraw/zinc/65/17/80/1122651780.db2.gz LMZRQFDCIHCKJD-SMDDNHRTSA-N 0 1 255.764 3.562 20 0 CHADMN C[C@@H](NCc1ccc(CO)cc1)c1cc(Cl)ccc1F ZINC001192575593 1122651935 /nfs/dbraw/zinc/65/19/35/1122651935.db2.gz URNJIXBSVQBTBQ-LLVKDONJSA-N 0 1 293.769 3.822 20 0 CHADMN Brc1cccc(CN2CCCCC23CC3)c1 ZINC001203767240 1122658635 /nfs/dbraw/zinc/65/86/35/1122658635.db2.gz DHQSOOQSJZGSJK-UHFFFAOYSA-N 0 1 280.209 3.968 20 0 CHADMN Clc1ccc2c(c1)CN(C[C@H]1CC[C@@H](C3CC3)O1)CC2 ZINC001192919714 1122662809 /nfs/dbraw/zinc/66/28/09/1122662809.db2.gz YXRXCPZJNMMJBS-SJORKVTESA-N 0 1 291.822 3.656 20 0 CHADMN Cc1cccc(CN(C)CCSc2ccccc2F)n1 ZINC000437907120 1122663594 /nfs/dbraw/zinc/66/35/94/1122663594.db2.gz SIVSMAMTOMHZAV-UHFFFAOYSA-N 0 1 290.407 3.753 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2cccc(F)c2Cl)C[C@H]1O ZINC001192946811 1122664286 /nfs/dbraw/zinc/66/42/86/1122664286.db2.gz LQEJIWHCAJRYSO-GXTWGEPZSA-N 0 1 299.817 3.708 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1ccc([Si](C)(C)C)cc1 ZINC001193042755 1122669005 /nfs/dbraw/zinc/66/90/05/1122669005.db2.gz DHIVORIBSXCDSA-OAHLLOKOSA-N 0 1 298.506 3.820 20 0 CHADMN Cc1[nH]cnc1-c1nc2cc(C)c(C(F)(F)F)cc2[nH]1 ZINC001250499044 1122678628 /nfs/dbraw/zinc/67/86/28/1122678628.db2.gz WPGIMBJWTUDYIS-UHFFFAOYSA-N 0 1 280.253 3.589 20 0 CHADMN c1cc([C@@H]2CCCN2Cc2cccc3c2OCO3)cs1 ZINC000153539993 1129070731 /nfs/dbraw/zinc/07/07/31/1129070731.db2.gz VXZPWZUFRJRALY-AWEZNQCLSA-N 0 1 287.384 3.814 20 0 CHADMN CC(C)[C@@H]1CN(Cc2cc3c(cccc3F)[nH]2)CCS1 ZINC000438111375 1122679425 /nfs/dbraw/zinc/67/94/25/1122679425.db2.gz VBKLXPCKAQXTPO-INIZCTEOSA-N 0 1 292.423 3.880 20 0 CHADMN COC(=O)[C@H](NC[C@H]1CCC[C@@H](C)C1)C1CCCCC1 ZINC001193167157 1122679958 /nfs/dbraw/zinc/67/99/58/1122679958.db2.gz WKSYNNSAGCTFNL-IJEWVQPXSA-N 0 1 281.440 3.524 20 0 CHADMN Cc1ccc2cc(CN3CCOC[C@H]3CC(C)C)ccc2n1 ZINC000438121869 1122680092 /nfs/dbraw/zinc/68/00/92/1122680092.db2.gz POFOTWIGDAYFBA-GOSISDBHSA-N 0 1 298.430 3.790 20 0 CHADMN CCN(Cc1ccoc1)C[C@@H](O)c1ccc(F)cc1Cl ZINC000775590476 1122683840 /nfs/dbraw/zinc/68/38/40/1122683840.db2.gz IUXASNMAEYMJKK-OAHLLOKOSA-N 0 1 297.757 3.628 20 0 CHADMN CCN(Cc1ccoc1)C[C@H](O)c1ccc(F)cc1Cl ZINC000775590475 1122684020 /nfs/dbraw/zinc/68/40/20/1122684020.db2.gz IUXASNMAEYMJKK-HNNXBMFYSA-N 0 1 297.757 3.628 20 0 CHADMN Cc1cccc2c1CN([C@@H](C)c1ccc(F)nc1)CC2 ZINC001193354872 1122685608 /nfs/dbraw/zinc/68/56/08/1122685608.db2.gz HVFFNPAYLFVHEQ-ZDUSSCGKSA-N 0 1 270.351 3.648 20 0 CHADMN CC1(C)CCCCN(Cc2cncc(Br)c2)C1 ZINC000438348407 1122693033 /nfs/dbraw/zinc/69/30/33/1122693033.db2.gz KPEDJCCHDBBDHQ-UHFFFAOYSA-N 0 1 297.240 3.856 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)[C@H](C)[C@@H](C)O1 ZINC000438366495 1122694737 /nfs/dbraw/zinc/69/47/37/1122694737.db2.gz WTISRRIDWSOBOG-BZUAXINKSA-N 0 1 296.414 3.746 20 0 CHADMN CCC1(CC)CCN(CC(=O)Nc2cccc(C)c2)CC1 ZINC001193536494 1122695055 /nfs/dbraw/zinc/69/50/55/1122695055.db2.gz LQMLMWYZGGXRDY-UHFFFAOYSA-N 0 1 288.435 3.836 20 0 CHADMN Cc1cc(N2CC3CC2(C)C3)c2cc(F)ccc2n1 ZINC000664692812 1122696648 /nfs/dbraw/zinc/69/66/48/1122696648.db2.gz DNRJURXOYWTMSB-UHFFFAOYSA-N 0 1 256.324 3.671 20 0 CHADMN Cc1ccc(CN2CCO[C@H](c3ccccc3)C2)cc1 ZINC000506327990 1122717828 /nfs/dbraw/zinc/71/78/28/1122717828.db2.gz WOWRZDNWFXHJJE-SFHVURJKSA-N 0 1 267.372 3.569 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCCC3(CCCC3)C2)c1 ZINC000438689375 1122718098 /nfs/dbraw/zinc/71/80/98/1122718098.db2.gz BYSXXGZJLANAFV-UHFFFAOYSA-N 0 1 297.402 3.668 20 0 CHADMN c1ccc([C@H]2C[C@H]2CN2CCO[C@H](c3ccccc3)C2)cc1 ZINC000506328600 1122720826 /nfs/dbraw/zinc/72/08/26/1122720826.db2.gz VRQOBEFZMBZMGN-ZCNNSNEGSA-N 0 1 293.410 3.864 20 0 CHADMN CC[N@@H+](C)Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000506343983 1122722625 /nfs/dbraw/zinc/72/26/25/1122722625.db2.gz WBMKVKVUPUBEOZ-UHFFFAOYSA-N 0 1 285.435 3.681 20 0 CHADMN CCCCN(C(=O)c1cnc(C)[nH]1)[C@@H]1CCC[C@@H](C)C1 ZINC000294130356 1122722852 /nfs/dbraw/zinc/72/28/52/1122722852.db2.gz KWILVYMWKZHMIC-TZMCWYRMSA-N 0 1 277.412 3.539 20 0 CHADMN CC(C)CNCc1nc(C2CCCCCCC2)no1 ZINC000158839088 1122724723 /nfs/dbraw/zinc/72/47/23/1122724723.db2.gz LMJYFARMBDDDKK-UHFFFAOYSA-N 0 1 265.401 3.643 20 0 CHADMN Cc1ccc(C(=O)Nc2c(Cl)ccc(O)c2Cl)[nH]1 ZINC001193909144 1122728782 /nfs/dbraw/zinc/72/87/82/1122728782.db2.gz LCSJRDUPOVDIEO-UHFFFAOYSA-N 0 1 285.130 3.588 20 0 CHADMN CC[C@H](N[C@H]1CCc2sc(Cl)cc21)c1cnn(C)c1 ZINC000353563483 1122735283 /nfs/dbraw/zinc/73/52/83/1122735283.db2.gz FCNQGQWASJIBAX-RYUDHWBXSA-N 0 1 295.839 3.863 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)NCCCCF)n2)cc1 ZINC000509592619 1122736064 /nfs/dbraw/zinc/73/60/64/1122736064.db2.gz PCURMZUWBJRGSA-LBPRGKRZSA-N 0 1 291.370 3.699 20 0 CHADMN CCc1ccc(CNc2nccn2-c2ccccc2)o1 ZINC000438934224 1122741414 /nfs/dbraw/zinc/74/14/14/1122741414.db2.gz VKYYVQAXFICUEE-UHFFFAOYSA-N 0 1 267.332 3.640 20 0 CHADMN CCC[C@](C)(O)CN[C@H](c1cccc(C)c1)c1ccccn1 ZINC000925044464 1122744734 /nfs/dbraw/zinc/74/47/34/1122744734.db2.gz GTNZPYSDJCQMAR-MOPGFXCFSA-N 0 1 298.430 3.620 20 0 CHADMN CN(Cc1cc(C(C)(C)C)on1)CC1CCCC1 ZINC000438980399 1122745012 /nfs/dbraw/zinc/74/50/12/1122745012.db2.gz RPDWJBMQJUQDBD-UHFFFAOYSA-N 0 1 250.386 3.594 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000366702657 1122746478 /nfs/dbraw/zinc/74/64/78/1122746478.db2.gz STZCZGGCLIWBAD-SHTZXODSSA-N 0 1 297.402 3.518 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cccc(F)c2)cn1 ZINC001203790323 1122759097 /nfs/dbraw/zinc/75/90/97/1122759097.db2.gz SUCASZZOADYXPS-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN COC[C@@H](NCc1cc2ccccc2n1C)c1ccccc1 ZINC000638600398 1122761613 /nfs/dbraw/zinc/76/16/13/1122761613.db2.gz XMWLHOGASCPHBP-GOSISDBHSA-N 0 1 294.398 3.656 20 0 CHADMN COC[C@@H]1CN([C@H](C)c2ccc(C(C)C)cc2)C[C@H](C)O1 ZINC000439278329 1122767714 /nfs/dbraw/zinc/76/77/14/1122767714.db2.gz YRXTXZXLKBHCMX-DAYGRLMNSA-N 0 1 291.435 3.607 20 0 CHADMN Cc1ccc(F)cc1CN1CCOCC12CCCCC2 ZINC001194369809 1122768427 /nfs/dbraw/zinc/76/84/27/1122768427.db2.gz YXVTVXQFOXFOMK-UHFFFAOYSA-N 0 1 277.383 3.669 20 0 CHADMN CCCc1csc(CN(C)CC2(O)CCCCCC2)n1 ZINC000426349728 1122770888 /nfs/dbraw/zinc/77/08/88/1122770888.db2.gz CQLHHNPUAMCDGZ-UHFFFAOYSA-N 0 1 296.480 3.613 20 0 CHADMN COc1cccc2c1CN(Cc1csc(C)c1)CC2 ZINC001194399959 1122771958 /nfs/dbraw/zinc/77/19/58/1122771958.db2.gz BKWUOAXVFSEREV-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN c1ccc2c(c1)CCC[C@@H]2N(Cc1cnccn1)C1CC1 ZINC000518714554 1122779684 /nfs/dbraw/zinc/77/96/84/1122779684.db2.gz UFKIJQICTOZRIP-SFHVURJKSA-N 0 1 279.387 3.519 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1c(C)n[nH]c1C ZINC000426381893 1122780498 /nfs/dbraw/zinc/78/04/98/1122780498.db2.gz ZOJJWSZLQXSOSI-JLHYYAGUSA-N 0 1 269.392 3.562 20 0 CHADMN COc1ccc(Cl)cc1CN1CCSC[C@@H]1C1CC1 ZINC001194519821 1122781333 /nfs/dbraw/zinc/78/13/33/1122781333.db2.gz TZMJQHYUVDIFME-CQSZACIVSA-N 0 1 297.851 3.676 20 0 CHADMN CSCCCN(C)Cc1nc(-c2cccs2)oc1C ZINC000439475622 1122781923 /nfs/dbraw/zinc/78/19/23/1122781923.db2.gz YXUWTBCHZRIZOY-UHFFFAOYSA-N 0 1 296.461 3.896 20 0 CHADMN CC[C@H]1C[N@H+]([C@H](C)c2ccccc2Cl)CCCO1 ZINC000439480812 1122784888 /nfs/dbraw/zinc/78/48/88/1122784888.db2.gz ZIUPLCFUVOPBPD-OLZOCXBDSA-N 0 1 267.800 3.902 20 0 CHADMN Cc1ccc2c(ccc(C)c2CN(C2CC2)C2COC2)c1 ZINC001194598613 1122785044 /nfs/dbraw/zinc/78/50/44/1122785044.db2.gz CKZZXXPQDSGLTD-UHFFFAOYSA-N 0 1 281.399 3.820 20 0 CHADMN CCCc1csc(CN(C)CCc2cccs2)n1 ZINC000426399542 1122785364 /nfs/dbraw/zinc/78/53/64/1122785364.db2.gz AJQNGNHGFSLKQX-UHFFFAOYSA-N 0 1 280.462 3.832 20 0 CHADMN Cc1nc([C@@](C)(NCC2CCC3(CC3)CC2)C2CC2)no1 ZINC001194641271 1122787514 /nfs/dbraw/zinc/78/75/14/1122787514.db2.gz SUXMTWJIIGJWEJ-INIZCTEOSA-N 0 1 289.423 3.563 20 0 CHADMN CN(Cc1ccccn1)C[C@@H]1CCC2(CCCCCC2)O1 ZINC001194640559 1122787587 /nfs/dbraw/zinc/78/75/87/1122787587.db2.gz DENNKMKHWZYUMA-KRWDZBQOSA-N 0 1 288.435 3.785 20 0 CHADMN Fc1cccc(CNCCOc2ccc(Cl)cc2)c1F ZINC000518768871 1122790118 /nfs/dbraw/zinc/79/01/18/1122790118.db2.gz ITJAUVMZRVSINF-UHFFFAOYSA-N 0 1 297.732 3.787 20 0 CHADMN Clc1cccc(C2(N[C@H]3CCCc4n[nH]cc43)CC2)c1 ZINC000335411774 1122792211 /nfs/dbraw/zinc/79/22/11/1122792211.db2.gz FRSLHWFLAMWTBX-AWEZNQCLSA-N 0 1 287.794 3.719 20 0 CHADMN CC(C)[C@@H](C)[N@@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000518827105 1122794823 /nfs/dbraw/zinc/79/48/23/1122794823.db2.gz KITSUHJQRJTWOB-GFCCVEGCSA-N 0 1 276.355 3.957 20 0 CHADMN CCCn1c(C)cc(C(=O)CN2CC[C@H]3CCC[C@H]32)c1C ZINC000426462933 1122799995 /nfs/dbraw/zinc/79/99/95/1122799995.db2.gz UVLQCQPQZONEFR-NVXWUHKLSA-N 0 1 288.435 3.572 20 0 CHADMN Fc1cc(Cl)c2c(c1)CN(CCC1CC1)CC2 ZINC001194754458 1122800167 /nfs/dbraw/zinc/80/01/67/1122800167.db2.gz FEPMQSVQSZLSDJ-UHFFFAOYSA-N 0 1 253.748 3.637 20 0 CHADMN C(=C\c1ccccc1)\CN1CCc2sccc2C1 ZINC000506674258 1122803099 /nfs/dbraw/zinc/80/30/99/1122803099.db2.gz KCYJPSKSJWPKNO-DAXSKMNVSA-N 0 1 255.386 3.820 20 0 CHADMN CC(C)c1ncc(CN2CCC([C@@H]3CCCO3)CC2)s1 ZINC000439783785 1122805460 /nfs/dbraw/zinc/80/54/60/1122805460.db2.gz BNWWGJSZLMTJDJ-HNNXBMFYSA-N 0 1 294.464 3.658 20 0 CHADMN CC[C@@H](C)CN(C)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000073552296 1122807475 /nfs/dbraw/zinc/80/74/75/1122807475.db2.gz LEGUTEJBCCLZAM-CQSZACIVSA-N 0 1 297.402 3.943 20 0 CHADMN Cc1noc(C)c1CN[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000153912338 1129079509 /nfs/dbraw/zinc/07/95/09/1129079509.db2.gz NXCKQNWSRFZGHI-DYZYQPBXSA-N 0 1 288.366 3.844 20 0 CHADMN C=C(Br)C[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000034508586 1122815551 /nfs/dbraw/zinc/81/55/51/1122815551.db2.gz YOPREXMHJVETDV-NSHDSACASA-N 0 1 260.219 3.796 20 0 CHADMN C=C(Br)CN(C)[C@@H](C)C1CCCCC1 ZINC000034508586 1122815555 /nfs/dbraw/zinc/81/55/55/1122815555.db2.gz YOPREXMHJVETDV-NSHDSACASA-N 0 1 260.219 3.796 20 0 CHADMN CC(C)Cc1ncc(CN(C)[C@@H]2CC2(C)C)s1 ZINC000426553852 1122821256 /nfs/dbraw/zinc/82/12/56/1122821256.db2.gz RVKALQWQZWPKCS-GFCCVEGCSA-N 0 1 252.427 3.572 20 0 CHADMN C[C@@H](CSc1ccccc1)N(C)C/C=C/Cl ZINC001195851547 1122890986 /nfs/dbraw/zinc/89/09/86/1122890986.db2.gz KRUHIJCTAIIGOE-LZGFCCKTSA-N 0 1 255.814 3.852 20 0 CHADMN COc1ccc(OC(F)F)c(CN(C)[C@H]2CC2(C)C)c1 ZINC000426571023 1122825320 /nfs/dbraw/zinc/82/53/20/1122825320.db2.gz RBIGKSCTPJDYGP-ZDUSSCGKSA-N 0 1 285.334 3.527 20 0 CHADMN CC1(C)CC[C@@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000664790832 1122829719 /nfs/dbraw/zinc/82/97/19/1122829719.db2.gz BLAOENLRVCWBCG-SNVBAGLBSA-N 0 1 268.320 3.517 20 0 CHADMN Cc1cnc(C(=O)Nc2ccc(Cl)cc2Cl)c(O)c1 ZINC000426592444 1122830533 /nfs/dbraw/zinc/83/05/33/1122830533.db2.gz YORSCEAXAZGEAW-UHFFFAOYSA-N 0 1 297.141 3.655 20 0 CHADMN COC[C@H](CN1Cc2ccc(Cl)cc2C1)C(C)C ZINC001195023447 1122832216 /nfs/dbraw/zinc/83/22/16/1122832216.db2.gz UBJWQPXAZUEYBN-AWEZNQCLSA-N 0 1 267.800 3.574 20 0 CHADMN C[C@@H](CN([C@@H](C)C(=O)OC(C)(C)C)C1CC1)C(C)(C)C ZINC001195044702 1122835250 /nfs/dbraw/zinc/83/52/50/1122835250.db2.gz BOSCRWVRTYWAEU-STQMWFEESA-N 0 1 283.456 3.863 20 0 CHADMN O=c1nc(Cc2cccc(F)c2Cl)[nH]c2ccsc21 ZINC000775637264 1122842160 /nfs/dbraw/zinc/84/21/60/1122842160.db2.gz NFHZPOHNMZWKAS-UHFFFAOYSA-N 0 1 294.738 3.780 20 0 CHADMN CCCSC[C@H](C)N[C@H](C)c1c(F)cncc1F ZINC000894434905 1122852703 /nfs/dbraw/zinc/85/27/03/1122852703.db2.gz KOMOAHQEERMFOX-VHSXEESVSA-N 0 1 274.380 3.542 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@H]1c1cccnc1 ZINC000894449458 1122853319 /nfs/dbraw/zinc/85/33/19/1122853319.db2.gz NOGYQPIPQSZUQC-SFHVURJKSA-N 0 1 298.434 3.813 20 0 CHADMN Fc1ccc(-c2cccn3cncc23)c(Cl)c1F ZINC001205690307 1122853751 /nfs/dbraw/zinc/85/37/51/1122853751.db2.gz YPGDVSUAXODJPY-UHFFFAOYSA-N 0 1 264.662 3.933 20 0 CHADMN C[C@@H]1Cc2cc(CN3CCC[C@H]3c3cccnc3)ccc2O1 ZINC000894448973 1122855054 /nfs/dbraw/zinc/85/50/54/1122855054.db2.gz IBSYOSGJDLTHLZ-KDOFPFPSSA-N 0 1 294.398 3.742 20 0 CHADMN CCc1[nH]nc(Cl)c1CN(C)C1CCC(F)(F)CC1 ZINC000894515020 1122866548 /nfs/dbraw/zinc/86/65/48/1122866548.db2.gz HXUVRKSJYCGSFZ-UHFFFAOYSA-N 0 1 291.773 3.635 20 0 CHADMN Cc1ccnc(N)c1CNCc1ccc(C2CCC2)cc1 ZINC000894560390 1122873092 /nfs/dbraw/zinc/87/30/92/1122873092.db2.gz ZGGZFPNUSDBJPT-UHFFFAOYSA-N 0 1 281.403 3.530 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1[nH]nc(C)c1C ZINC000894564064 1122873908 /nfs/dbraw/zinc/87/39/08/1122873908.db2.gz ZZRAVKMIUAGFEF-RAXLEYEMSA-N 0 1 269.392 3.562 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1n[nH]c(C)c1C ZINC000894564064 1122873912 /nfs/dbraw/zinc/87/39/12/1122873912.db2.gz ZZRAVKMIUAGFEF-RAXLEYEMSA-N 0 1 269.392 3.562 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1cnnn1C)c1ccccc1Cl ZINC000925075716 1122875027 /nfs/dbraw/zinc/87/50/27/1122875027.db2.gz LOBBBKYKPVFGBX-IAQYHMDHSA-N 0 1 292.814 3.516 20 0 CHADMN COc1ccc(CNCc2ccc(C(C)(F)F)cc2)o1 ZINC000894610070 1122879273 /nfs/dbraw/zinc/87/92/73/1122879273.db2.gz ILOIGEBHKCSILC-UHFFFAOYSA-N 0 1 281.302 3.690 20 0 CHADMN C[C@@H]1[C@@H](C)CN1Cc1sccc1NC(=O)OC(C)(C)C ZINC000894626984 1122883313 /nfs/dbraw/zinc/88/33/13/1122883313.db2.gz BDGQIZAHUHGSOW-WDEREUQCSA-N 0 1 296.436 3.935 20 0 CHADMN C[C@H](CSc1ccccc1)N(C)C/C=C/Cl ZINC001195851550 1122890091 /nfs/dbraw/zinc/89/00/91/1122890091.db2.gz KRUHIJCTAIIGOE-UVMWJGKXSA-N 0 1 255.814 3.852 20 0 CHADMN Cc1cnc(C)c(N=C2CCC(C(F)(F)F)CC2)n1 ZINC001195833915 1122891859 /nfs/dbraw/zinc/89/18/59/1122891859.db2.gz JEIOCEUSQUPZCX-JTQLQIEISA-N 0 1 271.286 3.752 20 0 CHADMN CCOc1cc(F)c(CN2CCC[C@@H]2CC)c(F)c1 ZINC001143574988 1122895620 /nfs/dbraw/zinc/89/56/20/1122895620.db2.gz NULMBXMSLNVHKQ-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN CCOC(CN1CCc2ccc(C(C)C)cc2C1)OCC ZINC001195919455 1122896997 /nfs/dbraw/zinc/89/69/97/1122896997.db2.gz NNYASLCNSKIKEZ-UHFFFAOYSA-N 0 1 291.435 3.567 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(C2CC2)c1 ZINC000262052874 1122901577 /nfs/dbraw/zinc/90/15/77/1122901577.db2.gz CZEARALOBLSKKL-BZSNNMDCSA-N 0 1 299.414 3.782 20 0 CHADMN CC(C)Cc1ccc(CN2CCO[C@](C)(C3CC3)C2)cc1 ZINC001196058359 1122902713 /nfs/dbraw/zinc/90/27/13/1122902713.db2.gz ZXMRYJYSMHVVDQ-IBGZPJMESA-N 0 1 287.447 3.886 20 0 CHADMN C[C@H]1Oc2ccccc2[C@H]1NCc1cccc2c1NCCC2 ZINC000894785917 1122905943 /nfs/dbraw/zinc/90/59/43/1122905943.db2.gz AGHOHDFKALCGKI-ACJLOTCBSA-N 0 1 294.398 3.657 20 0 CHADMN C[C@@H](N[C@@H]1CCC(C)(C)C1)c1nc(C(C)(C)C)no1 ZINC000506943946 1122912832 /nfs/dbraw/zinc/91/28/32/1122912832.db2.gz JQAKDNVJTFJZNF-GHMZBOCLSA-N 0 1 265.401 3.596 20 0 CHADMN CCC[C@H](C)CCCN1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC001196274542 1122915247 /nfs/dbraw/zinc/91/52/47/1122915247.db2.gz HVZLJHVBZQAISZ-GZBFAFLISA-N 0 1 277.399 3.947 20 0 CHADMN C[C@@]1(C(F)F)CN(CCCC2CCCCC2)CCO1 ZINC001196314913 1122915717 /nfs/dbraw/zinc/91/57/17/1122915717.db2.gz YGJLXVTUYXICEI-HNNXBMFYSA-N 0 1 275.383 3.703 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1ccccc1OC ZINC000506995821 1122918382 /nfs/dbraw/zinc/91/83/82/1122918382.db2.gz WUTQSIKPQAIISA-UHFFFAOYSA-N 0 1 285.387 3.726 20 0 CHADMN C[C@H]1c2ccccc2C[N@@H+]1C[C@@H]1COC2(CCCCC2)O1 ZINC001196497764 1122925385 /nfs/dbraw/zinc/92/53/85/1122925385.db2.gz HLXBMJFMAIEHFY-GOEBONIOSA-N 0 1 287.403 3.639 20 0 CHADMN C[C@H]1c2ccccc2CN1C[C@@H]1COC2(CCCCC2)O1 ZINC001196497764 1122925390 /nfs/dbraw/zinc/92/53/90/1122925390.db2.gz HLXBMJFMAIEHFY-GOEBONIOSA-N 0 1 287.403 3.639 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1cc(F)c(F)cc1F ZINC000507145217 1122929768 /nfs/dbraw/zinc/92/97/68/1122929768.db2.gz SXOXBBTVKIGFMW-CQSZACIVSA-N 0 1 257.299 3.724 20 0 CHADMN COC(=O)c1occc1NC1=CC[C@H](C(F)(F)F)CC1 ZINC001196766898 1122931840 /nfs/dbraw/zinc/93/18/40/1122931840.db2.gz ICEHJKGCPQNHFM-QMMMGPOBSA-N 0 1 289.253 3.724 20 0 CHADMN COC(=O)c1occc1NC1=CC[C@@H](C(F)(F)F)CC1 ZINC001196766897 1122932331 /nfs/dbraw/zinc/93/23/31/1122932331.db2.gz ICEHJKGCPQNHFM-MRVPVSSYSA-N 0 1 289.253 3.724 20 0 CHADMN CCCC[C@@H](C(=O)OC)[N@@H+](C)C[C@H](C)C1CCCCC1 ZINC001196818846 1122935212 /nfs/dbraw/zinc/93/52/12/1122935212.db2.gz OZBCGIDKMQZSHX-HOCLYGCPSA-N 0 1 283.456 3.866 20 0 CHADMN C[C@H](CCc1ccccc1)N(C)Cc1nccs1 ZINC000507215878 1122939346 /nfs/dbraw/zinc/93/93/46/1122939346.db2.gz WRJQGRBQZISINN-CYBMUJFWSA-N 0 1 260.406 3.596 20 0 CHADMN COc1ccc([C@H]2C[N@@H+](C[C@H](C)CC(C)C)CCO2)cc1 ZINC001197012274 1122942219 /nfs/dbraw/zinc/94/22/19/1122942219.db2.gz BYIXOSJNAPNPQU-CRAIPNDOSA-N 0 1 291.435 3.751 20 0 CHADMN COc1ccc([C@H]2CN(C[C@H](C)CC(C)C)CCO2)cc1 ZINC001197012274 1122942224 /nfs/dbraw/zinc/94/22/24/1122942224.db2.gz BYIXOSJNAPNPQU-CRAIPNDOSA-N 0 1 291.435 3.751 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2cc3ccccc3s2)n1 ZINC000048856709 1122943671 /nfs/dbraw/zinc/94/36/71/1122943671.db2.gz BZDOMHKYGDQKNU-LBPRGKRZSA-N 0 1 273.361 3.607 20 0 CHADMN CCCCN(C(=O)c1ncc(C)cc1O)c1ccccc1 ZINC000427135630 1122947405 /nfs/dbraw/zinc/94/74/05/1122947405.db2.gz DUCYCWUMJSDDQV-UHFFFAOYSA-N 0 1 284.359 3.543 20 0 CHADMN C(c1noc2c1CCCC2)N1CCC[C@@H](C2CCC2)CC1 ZINC001197203803 1122948717 /nfs/dbraw/zinc/94/87/17/1122948717.db2.gz URNHYOGMAKMDQE-OAHLLOKOSA-N 0 1 288.435 3.956 20 0 CHADMN C[C@@H](C1CC1)[N@H+](Cc1cccc([O-])c1Cl)C1CC1 ZINC000507353946 1122949499 /nfs/dbraw/zinc/94/94/99/1122949499.db2.gz CCVKOWLYAHNHGE-JTQLQIEISA-N 0 1 265.784 3.809 20 0 CHADMN C[C@@H](C1CC1)[N@@H+](Cc1cccc([O-])c1Cl)C1CC1 ZINC000507353946 1122949502 /nfs/dbraw/zinc/94/95/02/1122949502.db2.gz CCVKOWLYAHNHGE-JTQLQIEISA-N 0 1 265.784 3.809 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000427208631 1122949939 /nfs/dbraw/zinc/94/99/39/1122949939.db2.gz GZMOTDFWJUOZFC-WBMJQRKESA-N 0 1 285.391 3.604 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@@H]2CCC(C)C)c1 ZINC000427205784 1122950209 /nfs/dbraw/zinc/95/02/09/1122950209.db2.gz XDTQZAZUNVYSTI-OAHLLOKOSA-N 0 1 299.418 3.912 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccc(F)c(F)c1 ZINC000507507076 1122961552 /nfs/dbraw/zinc/96/15/52/1122961552.db2.gz HEEQTEOEUNFDEP-NSHDSACASA-N 0 1 276.330 3.773 20 0 CHADMN CC[C@@H]1COCCN1Cc1ccc(C2CCC2)cc1 ZINC000507579987 1122965827 /nfs/dbraw/zinc/96/58/27/1122965827.db2.gz FJEZQMFTOUUIJK-QGZVFWFLSA-N 0 1 259.393 3.565 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2ncccc2C)c1 ZINC000154638965 1129089699 /nfs/dbraw/zinc/08/96/99/1129089699.db2.gz GEUJPAHTMQHRHV-CQSZACIVSA-N 0 1 270.376 3.640 20 0 CHADMN O=C(Cc1ccccc1F)Nc1cc(Cl)c(O)cc1F ZINC000334256048 1122975423 /nfs/dbraw/zinc/97/54/23/1122975423.db2.gz ZHLVTOZQLXGRAD-UHFFFAOYSA-N 0 1 297.688 3.505 20 0 CHADMN COc1ccc(F)cc1CN[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000353221798 1122976560 /nfs/dbraw/zinc/97/65/60/1122976560.db2.gz ZYRNXKCIQJTULH-NSHDSACASA-N 0 1 299.349 3.561 20 0 CHADMN CCCCC[C@@H](CC)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000775806278 1122977739 /nfs/dbraw/zinc/97/77/39/1122977739.db2.gz YQALCGDNDLZJTD-QWHCGFSZSA-N 0 1 294.443 3.712 20 0 CHADMN Cc1noc([C@H]2CCCCN2C[C@@H]2CCCC(F)(F)C2)n1 ZINC000334265897 1122979306 /nfs/dbraw/zinc/97/93/06/1122979306.db2.gz MXJCHOCRDOIUQW-CHWSQXEVSA-N 0 1 299.365 3.731 20 0 CHADMN Cc1ccc(F)cc1CN[C@]1(C)CCOc2ccccc21 ZINC001198070290 1122980617 /nfs/dbraw/zinc/98/06/17/1122980617.db2.gz BWIJCOISCVBHGI-GOSISDBHSA-N 0 1 285.362 3.922 20 0 CHADMN C[C@H](c1cccnc1)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000183724848 1129090855 /nfs/dbraw/zinc/09/08/55/1129090855.db2.gz AWVOCASNCLFVNH-LLVKDONJSA-N 0 1 276.767 3.634 20 0 CHADMN C[C@H](c1cccnc1)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000183724848 1129090856 /nfs/dbraw/zinc/09/08/56/1129090856.db2.gz AWVOCASNCLFVNH-LLVKDONJSA-N 0 1 276.767 3.634 20 0 CHADMN CCCOc1ncccc1CN[C@H]1c2ccccc2C[C@H]1C ZINC000154700819 1129090884 /nfs/dbraw/zinc/09/08/84/1129090884.db2.gz BQWBLLCBMZRRCY-RDTXWAMCSA-N 0 1 296.414 3.894 20 0 CHADMN c1cc(CN(C[C@H]2CCC3(CCCC3)O2)C2CC2)co1 ZINC001198146477 1122982468 /nfs/dbraw/zinc/98/24/68/1122982468.db2.gz AVIRYWBFAQKZAH-MRXNPFEDSA-N 0 1 275.392 3.736 20 0 CHADMN Cc1nnc([C@@H](C)N2CCC(C)(C)[C@@H](c3ccccc3)C2)[nH]1 ZINC001198202108 1122982993 /nfs/dbraw/zinc/98/29/93/1122982993.db2.gz JFDOQHVKDWFONW-CZUORRHYSA-N 0 1 298.434 3.690 20 0 CHADMN Cc1noc(C)c1-c1nc2ccc(Br)cc2[nH]1 ZINC000154731390 1129091883 /nfs/dbraw/zinc/09/18/83/1129091883.db2.gz FVLHAIKHJQIAFE-UHFFFAOYSA-N 0 1 292.136 3.597 20 0 CHADMN F[C@@H]1CCCN(CCc2cccc(OC(F)(F)F)c2)C1 ZINC001198479281 1122995160 /nfs/dbraw/zinc/99/51/60/1122995160.db2.gz OGFFXJUFBCBZHO-GFCCVEGCSA-N 0 1 291.288 3.562 20 0 CHADMN Cc1ncoc1CN[C@H](C)c1cccc(C2CC2)c1 ZINC000894868242 1123000669 /nfs/dbraw/zinc/00/06/69/1123000669.db2.gz XIEHKLZQRKSLEV-LLVKDONJSA-N 0 1 256.349 3.711 20 0 CHADMN Cc1ncccc1CN[C@H]1CCc2sc(Cl)cc21 ZINC000334388000 1123003972 /nfs/dbraw/zinc/00/39/72/1123003972.db2.gz PWARMMZCUJDEJD-LBPRGKRZSA-N 0 1 278.808 3.882 20 0 CHADMN Cc1nn(C)c(C)c1CN(C)[C@H](C)c1cc2ccccc2o1 ZINC000154811797 1129092641 /nfs/dbraw/zinc/09/26/41/1129092641.db2.gz FJLXORMFSGEUQX-CQSZACIVSA-N 0 1 297.402 3.976 20 0 CHADMN Cc1ncoc1CN1Cc2cccc(C)c2CC1(C)C ZINC000894881339 1123010776 /nfs/dbraw/zinc/01/07/76/1123010776.db2.gz ODAVTPNSHBDWKX-UHFFFAOYSA-N 0 1 270.376 3.628 20 0 CHADMN CCc1cccc(CNCc2cc(OC)ccc2OC)c1 ZINC000519656589 1123012297 /nfs/dbraw/zinc/01/22/97/1123012297.db2.gz SHYQPRHFEOKDRE-UHFFFAOYSA-N 0 1 285.387 3.556 20 0 CHADMN CCc1ccc2c(c1)CCN(Cc1scnc1C)C2 ZINC001198822059 1123012367 /nfs/dbraw/zinc/01/23/67/1123012367.db2.gz ZGYBEDRHISHMRS-UHFFFAOYSA-N 0 1 272.417 3.572 20 0 CHADMN CC[N@@H+](CCCCCC(=O)[O-])Cc1ccccc1Cl ZINC000519641883 1123013058 /nfs/dbraw/zinc/01/30/58/1123013058.db2.gz MVIMSHKDOCMIIA-UHFFFAOYSA-N 0 1 283.799 3.807 20 0 CHADMN CC[C@]1(C)CCC[N@@H+](CC[C@H](C(=O)[O-])c2ccccc2)C1 ZINC000519645041 1123013440 /nfs/dbraw/zinc/01/34/40/1123013440.db2.gz STGKRYYHFSCPCZ-FUHWJXTLSA-N 0 1 289.419 3.757 20 0 CHADMN C[C@H](NCc1ccc2scnc2c1)c1ccccn1 ZINC001198935388 1123015960 /nfs/dbraw/zinc/01/59/60/1123015960.db2.gz RHLIMEQLXANOGC-NSHDSACASA-N 0 1 269.373 3.542 20 0 CHADMN COc1nc2ccccc2cc1CNCc1ccccc1 ZINC001198942855 1123016643 /nfs/dbraw/zinc/01/66/43/1123016643.db2.gz IECWWZOQIUNZCD-UHFFFAOYSA-N 0 1 278.355 3.533 20 0 CHADMN Fc1ccc(CNCc2cccc(F)c2OC(F)F)cc1 ZINC001198952483 1123017023 /nfs/dbraw/zinc/01/70/23/1123017023.db2.gz HYWLBHCEWWFQEL-UHFFFAOYSA-N 0 1 299.267 3.856 20 0 CHADMN Cc1cnc([C@H](C)N2CC[C@@H](c3cccc(F)c3)C2)o1 ZINC000334448816 1123020613 /nfs/dbraw/zinc/02/06/13/1123020613.db2.gz JGMQEPWNSOUDDM-GXTWGEPZSA-N 0 1 274.339 3.673 20 0 CHADMN Cc1cccc(C)c1[C@H](C)NCc1cc(C(F)(F)F)n[nH]1 ZINC000440612831 1123021282 /nfs/dbraw/zinc/02/12/82/1123021282.db2.gz CJDRPSZADMLRFB-NSHDSACASA-N 0 1 297.324 3.896 20 0 CHADMN C[C@]1(c2nc(C3(N)CCCCC3)no2)C[C@@H]1c1ccccc1 ZINC000519762449 1123022783 /nfs/dbraw/zinc/02/27/83/1123022783.db2.gz LWHYRJGJAWMPGD-PBHICJAKSA-N 0 1 297.402 3.633 20 0 CHADMN CCn1cc(CN(C)[C@@H](C)c2cc(C)ccc2C)cn1 ZINC000155049853 1129095794 /nfs/dbraw/zinc/09/57/94/1129095794.db2.gz PVAHUFBICUKYGL-HNNXBMFYSA-N 0 1 271.408 3.713 20 0 CHADMN CCN(Cc1ncc(C(C)(C)C)o1)[C@H]1CCOC(C)(C)C1 ZINC000519853960 1123031702 /nfs/dbraw/zinc/03/17/02/1123031702.db2.gz ZOWLBINKAIOMLT-ZDUSSCGKSA-N 0 1 294.439 3.752 20 0 CHADMN CC[C@H](F)CN1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000440711393 1123032985 /nfs/dbraw/zinc/03/29/85/1123032985.db2.gz JERZYTKFELNRRI-SWLSCSKDSA-N 0 1 281.371 3.589 20 0 CHADMN Cc1cc(CN(Cc2cccc(C)c2)CC(C)C)no1 ZINC000519907841 1123036470 /nfs/dbraw/zinc/03/64/70/1123036470.db2.gz JGMJDBSJRGHYGT-UHFFFAOYSA-N 0 1 272.392 3.950 20 0 CHADMN CC[C@H](F)C[N@@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000440760265 1123038239 /nfs/dbraw/zinc/03/82/39/1123038239.db2.gz DEDAWVCXXSBAPK-JQWIXIFHSA-N 0 1 256.390 3.509 20 0 CHADMN CC[C@H](F)CN(C)[C@H]1CCCc2nc(C)sc21 ZINC000440760265 1123038243 /nfs/dbraw/zinc/03/82/43/1123038243.db2.gz DEDAWVCXXSBAPK-JQWIXIFHSA-N 0 1 256.390 3.509 20 0 CHADMN CCCCC[C@H](NCc1nc(CC)no1)C(C)(C)C ZINC000776023081 1123039014 /nfs/dbraw/zinc/03/90/14/1123039014.db2.gz JYTXMGRZPLVFKK-LBPRGKRZSA-N 0 1 267.417 3.717 20 0 CHADMN Cc1ccsc1[C@H](C)NCc1nccn1CC(C)C ZINC000164797076 1123052161 /nfs/dbraw/zinc/05/21/61/1123052161.db2.gz VKXTYDRFPPFIFX-ZDUSSCGKSA-N 0 1 277.437 3.760 20 0 CHADMN COCC[N@@H+](Cc1cccc(OC)c1)[C@@H](C)c1ccccc1 ZINC000520183411 1123059448 /nfs/dbraw/zinc/05/94/48/1123059448.db2.gz XWNWCABRMDEMMO-INIZCTEOSA-N 0 1 299.414 3.905 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cccc(F)c2)c(F)c1 ZINC000228599932 1123063365 /nfs/dbraw/zinc/06/33/65/1123063365.db2.gz XVURLKUOOBTYHJ-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN CCN(Cc1ncc(-c2ccc(C)cc2)o1)C(C)C ZINC000441219276 1123067296 /nfs/dbraw/zinc/06/72/96/1123067296.db2.gz WSZPWDVIGYBBIA-UHFFFAOYSA-N 0 1 258.365 3.880 20 0 CHADMN Cc1sc(NC(=O)CN2[C@H](C)CCC[C@@H]2C)c(C)c1C ZINC000441304255 1123075692 /nfs/dbraw/zinc/07/56/92/1123075692.db2.gz FXWOLDKJLMPCHW-PHIMTYICSA-N 0 1 294.464 3.875 20 0 CHADMN CC(C)(C)OC(=O)NCc1cccc(Nc2ccncc2)c1 ZINC000082714613 1123080882 /nfs/dbraw/zinc/08/08/82/1123080882.db2.gz OAPYLOBGSWOJLO-UHFFFAOYSA-N 0 1 299.374 3.850 20 0 CHADMN CCc1cccc(Cl)c1C[N@@H+](CCC(=O)[O-])CC1CC1 ZINC000901613881 1129098387 /nfs/dbraw/zinc/09/83/87/1129098387.db2.gz HTBVXTVACSJNEM-UHFFFAOYSA-N 0 1 295.810 3.589 20 0 CHADMN C[C@H](c1nc(-c2ccccc2)no1)N1CCCC(C)(C)C1 ZINC000112731821 1123095971 /nfs/dbraw/zinc/09/59/71/1123095971.db2.gz QDBFYGKXVDLATL-CYBMUJFWSA-N 0 1 285.391 3.920 20 0 CHADMN c1ccc(CN(Cc2cccnc2)C[C@@H]2CC=CCC2)nc1 ZINC001201415705 1123097796 /nfs/dbraw/zinc/09/77/96/1123097796.db2.gz FXYMVFNRMUDFAH-QGZVFWFLSA-N 0 1 293.414 3.835 20 0 CHADMN Cc1nc2c(n1C[C@H]1CCC3(CCCC3)O1)CCCC2 ZINC000229439044 1123098438 /nfs/dbraw/zinc/09/84/38/1123098438.db2.gz RSKJUWQXKCDSRI-CQSZACIVSA-N 0 1 274.408 3.562 20 0 CHADMN COC[C@H]1CCCN([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000112987751 1123100305 /nfs/dbraw/zinc/10/03/05/1123100305.db2.gz OEGMGSGGJNGUEB-RYUDHWBXSA-N 0 1 285.790 3.899 20 0 CHADMN CSCc1ccc(CN2CC(CC(F)F)C2)cc1 ZINC000895018662 1123102170 /nfs/dbraw/zinc/10/21/70/1123102170.db2.gz RLKIWUMZUSOXNJ-UHFFFAOYSA-N 0 1 271.376 3.637 20 0 CHADMN CCCCCc1ccc(NC(=O)c2cn[nH]c2C)cc1 ZINC000070212090 1123104751 /nfs/dbraw/zinc/10/47/51/1123104751.db2.gz WUQQDGDFMMWORW-UHFFFAOYSA-N 0 1 271.364 3.703 20 0 CHADMN COc1cccc2cc([C@@H](C)N[C@@H](C)c3cnn(C)c3)oc21 ZINC000268766918 1129099178 /nfs/dbraw/zinc/09/91/78/1129099178.db2.gz QSJXNTHRZYLZCV-NWDGAFQWSA-N 0 1 299.374 3.587 20 0 CHADMN CC(C)=CCC[C@@H](C)CN1CCc2oc(C)nc2C1 ZINC001201499558 1123112327 /nfs/dbraw/zinc/11/23/27/1123112327.db2.gz LTIVGTBJWCCGDU-CYBMUJFWSA-N 0 1 262.397 3.724 20 0 CHADMN Cc1cc(NCc2ncccc2C)c2cc(F)ccc2n1 ZINC000124594555 1123115225 /nfs/dbraw/zinc/11/52/25/1123115225.db2.gz YEAGIUWJWHFSNX-UHFFFAOYSA-N 0 1 281.334 3.998 20 0 CHADMN CCOC(=O)[C@H](CC)N1CCC[C@@H](c2ccccc2)CC1 ZINC000441491829 1123115867 /nfs/dbraw/zinc/11/58/67/1123115867.db2.gz OAEXCYVPPDZZFN-SJORKVTESA-N 0 1 289.419 3.598 20 0 CHADMN CCC[C@H](C)CN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001201552135 1123119073 /nfs/dbraw/zinc/11/90/73/1123119073.db2.gz AQMKMBAQDZOPGE-JOYOIKCWSA-N 0 1 275.318 3.779 20 0 CHADMN CCC(CC)C[N@H+]1CCc2ncc(Br)cc2C1 ZINC001201531754 1123122364 /nfs/dbraw/zinc/12/23/64/1123122364.db2.gz UWXWOGCPOLWDQD-UHFFFAOYSA-N 0 1 297.240 3.638 20 0 CHADMN CC(C)CN(C(=O)c1cccc2[nH]ncc21)c1ccccc1 ZINC000520441961 1123123263 /nfs/dbraw/zinc/12/32/63/1123123263.db2.gz FKPPGRHYIOEIKR-UHFFFAOYSA-N 0 1 293.370 3.866 20 0 CHADMN C[C@@H](c1cccc(F)c1)N1CCOC2(CCCCC2)C1 ZINC000441438978 1123127194 /nfs/dbraw/zinc/12/71/94/1123127194.db2.gz UTLPFFXKDXIJMX-AWEZNQCLSA-N 0 1 277.383 3.922 20 0 CHADMN C[C@@H]1CCCC[C@H]1CNc1cnccc1-n1cccn1 ZINC001201674260 1123133471 /nfs/dbraw/zinc/13/34/71/1123133471.db2.gz AXUGJGLHYQHLDU-KGLIPLIRSA-N 0 1 270.380 3.506 20 0 CHADMN Cc1ccccc1[C@@H]1CN([C@@H]2C=CCCC2)[C@@H](C)CO1 ZINC000441466406 1123138997 /nfs/dbraw/zinc/13/89/97/1123138997.db2.gz CGFRXLIDKCYNQO-JZXOWHBKSA-N 0 1 271.404 3.866 20 0 CHADMN CCCCN1CCc2ccc(C(F)(F)F)cc2C1 ZINC001201713329 1123139213 /nfs/dbraw/zinc/13/92/13/1123139213.db2.gz BFLQHKNWTVODRS-UHFFFAOYSA-N 0 1 257.299 3.864 20 0 CHADMN CCCCN1CCO[C@@](C)(c2ccc(Cl)cc2)C1 ZINC001201715239 1123139254 /nfs/dbraw/zinc/13/92/54/1123139254.db2.gz OQRWCACMXQNMRL-OAHLLOKOSA-N 0 1 267.800 3.688 20 0 CHADMN CCCCCN1CCn2cc(-c3ccccc3)nc2C1 ZINC001201737337 1123143481 /nfs/dbraw/zinc/14/34/81/1123143481.db2.gz IZVBXMQJBGXTBX-UHFFFAOYSA-N 0 1 269.392 3.556 20 0 CHADMN CC[C@H](CSC)NCc1nc(-c2cccs2)oc1C ZINC001201770312 1123148248 /nfs/dbraw/zinc/14/82/48/1123148248.db2.gz RLFPIWGECPWKKD-LLVKDONJSA-N 0 1 296.461 3.943 20 0 CHADMN CC[C@H]1CCN(Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000155397726 1129102062 /nfs/dbraw/zinc/10/20/62/1129102062.db2.gz JGRSCQRORJYTIR-NSHDSACASA-N 0 1 292.329 3.852 20 0 CHADMN C[C@@H]1Cc2cccc(Br)c2CN1CC1CC1 ZINC001201952048 1123162375 /nfs/dbraw/zinc/16/23/75/1123162375.db2.gz GNZCNTOOONBHOB-SNVBAGLBSA-N 0 1 280.209 3.606 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000181553961 1123165328 /nfs/dbraw/zinc/16/53/28/1123165328.db2.gz FSCQECKPEYEPKZ-MRXNPFEDSA-N 0 1 275.392 3.511 20 0 CHADMN Fc1ccc2c(c1)[C@H](NCc1ccc3cc[nH]c3c1)CCO2 ZINC001202011153 1123165771 /nfs/dbraw/zinc/16/57/71/1123165771.db2.gz VKCWPDCEGPDCHT-MRXNPFEDSA-N 0 1 296.345 3.920 20 0 CHADMN O=C(Nc1ccccc1Cl)Nc1c(O)cc(F)cc1F ZINC001202063454 1123171323 /nfs/dbraw/zinc/17/13/23/1123171323.db2.gz LOYKXOHYPUOFRX-UHFFFAOYSA-N 0 1 298.676 3.968 20 0 CHADMN CCSCC[C@H](C)[N@@H+](C)Cc1cnc2cccc(C)n12 ZINC000353947922 1123172590 /nfs/dbraw/zinc/17/25/90/1123172590.db2.gz QDYZWHWTZHSTGI-ZDUSSCGKSA-N 0 1 291.464 3.606 20 0 CHADMN CC1(C)CCC[C@@H]1NCc1nc(-c2ccccc2F)no1 ZINC000191865824 1123181820 /nfs/dbraw/zinc/18/18/20/1123181820.db2.gz OBZCBPGGMVFUIG-ZDUSSCGKSA-N 0 1 289.354 3.544 20 0 CHADMN Cc1ccccc1NC(=O)Nc1cc(O)c(F)c(F)c1 ZINC001202184975 1123183152 /nfs/dbraw/zinc/18/31/52/1123183152.db2.gz MCMCFTUGFOJFLE-UHFFFAOYSA-N 0 1 278.258 3.623 20 0 CHADMN Cc1cc(CNC2(c3cccc(F)c3)CCC2)cnc1F ZINC000895100560 1123201860 /nfs/dbraw/zinc/20/18/60/1123201860.db2.gz VUKDIAUAGLBFIO-UHFFFAOYSA-N 0 1 288.341 3.837 20 0 CHADMN FC(F)(F)CCCN1CCC[C@@H](C(F)(F)F)C1 ZINC001202416153 1123205226 /nfs/dbraw/zinc/20/52/26/1123205226.db2.gz ULVHNYRMOKDIAZ-MRVPVSSYSA-N 0 1 263.225 3.603 20 0 CHADMN Fc1c(CNc2ccc3c(n2)CCC3)cccc1OC1CC1 ZINC001202444516 1123209074 /nfs/dbraw/zinc/20/90/74/1123209074.db2.gz GWRIULOJWSFFMX-UHFFFAOYSA-N 0 1 298.361 3.863 20 0 CHADMN Cc1cc(C[N@@H+](Cc2ccccc2)[C@H](C)C2CC2)n(C)n1 ZINC000417740997 1123209484 /nfs/dbraw/zinc/20/94/84/1123209484.db2.gz IEPQUOIZYFYDHW-OAHLLOKOSA-N 0 1 283.419 3.529 20 0 CHADMN Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)c1cnc[nH]1 ZINC000614658202 1123212216 /nfs/dbraw/zinc/21/22/16/1123212216.db2.gz RXUUOYRRMZBFGC-CQSZACIVSA-N 0 1 285.391 3.578 20 0 CHADMN Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)c1cnc[nH]1 ZINC000614658201 1123212636 /nfs/dbraw/zinc/21/26/36/1123212636.db2.gz RXUUOYRRMZBFGC-AWEZNQCLSA-N 0 1 285.391 3.578 20 0 CHADMN Cc1sccc1NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000634218121 1129106726 /nfs/dbraw/zinc/10/67/26/1129106726.db2.gz OXAPBZHFUSTYDM-OAHLLOKOSA-N 0 1 292.448 3.792 20 0 CHADMN Cc1noc([C@H](C)[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)n1 ZINC000665174541 1123219403 /nfs/dbraw/zinc/21/94/03/1123219403.db2.gz UXROIJYPLQFXAD-XJKSGUPXSA-N 0 1 297.402 3.709 20 0 CHADMN CN(C)Cc1cc(-c2ccc3c(c2)CCOC3)ccc1F ZINC000665200427 1123226900 /nfs/dbraw/zinc/22/69/00/1123226900.db2.gz ULAORINLPHCWBP-UHFFFAOYSA-N 0 1 285.362 3.627 20 0 CHADMN CC[C@](C)(NCc1nc2ccccc2n1C)c1ccccc1 ZINC000107717853 1123227048 /nfs/dbraw/zinc/22/70/48/1123227048.db2.gz OWWXHFUEPXZWGF-IBGZPJMESA-N 0 1 293.414 3.988 20 0 CHADMN CC(C)Oc1cncc(-c2ccc(F)c(CN(C)C)c2)c1 ZINC000665199544 1123227677 /nfs/dbraw/zinc/22/76/77/1123227677.db2.gz MURCOYDASAAFOB-UHFFFAOYSA-N 0 1 288.366 3.737 20 0 CHADMN CC(C)c1noc(CN[C@H](C)[C@@H](C)C2CCCCC2)n1 ZINC000185497342 1123228789 /nfs/dbraw/zinc/22/87/89/1123228789.db2.gz STVKHEJVBOFGNP-CHWSQXEVSA-N 0 1 279.428 3.888 20 0 CHADMN CCn1cncc1CN1CCCC[C@H]1c1ccc(C)cc1 ZINC000417777883 1123230059 /nfs/dbraw/zinc/23/00/59/1123230059.db2.gz SIDHINWJTJMLDH-SFHVURJKSA-N 0 1 283.419 3.939 20 0 CHADMN COc1cc(-c2nc3ccc(F)cc3[nH]2)ccc1C ZINC000070262780 1123232781 /nfs/dbraw/zinc/23/27/81/1123232781.db2.gz HUKXNSFZOPHBJZ-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H]1CCCc2c(F)cccc21 ZINC000334521928 1123241384 /nfs/dbraw/zinc/24/13/84/1123241384.db2.gz HQUZMWWDLVPEOX-LRDDRELGSA-N 0 1 285.366 3.652 20 0 CHADMN CCc1cc(CNCc2cccc(C3CCCC3)c2)[nH]n1 ZINC000850137358 1123243998 /nfs/dbraw/zinc/24/39/98/1123243998.db2.gz NRWBMIGRMBWICH-UHFFFAOYSA-N 0 1 283.419 3.920 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2ccc(Cl)cc2)cn1 ZINC000507907172 1123247732 /nfs/dbraw/zinc/24/77/32/1123247732.db2.gz YMNOBLIHQKZPRT-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN CCn1cncc1CN1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000417795761 1123248144 /nfs/dbraw/zinc/24/81/44/1123248144.db2.gz RASYCNYXIDLBRP-SUMWQHHRSA-N 0 1 287.382 3.625 20 0 CHADMN CCCOc1ccc(CNCc2cccc(F)n2)c(C)c1 ZINC000850222126 1123248471 /nfs/dbraw/zinc/24/84/71/1123248471.db2.gz QVOHBQZEJXVDMP-UHFFFAOYSA-N 0 1 288.366 3.608 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccc1)c1cn2ccccc2n1 ZINC000671098264 1129109308 /nfs/dbraw/zinc/10/93/08/1129109308.db2.gz SEMDGNIHMJIXMD-ZIAGYGMSSA-N 0 1 265.360 3.746 20 0 CHADMN Oc1ccc2c(c1)[C@@H](NCc1cc(Cl)cs1)CC2 ZINC000850387568 1123261342 /nfs/dbraw/zinc/26/13/42/1123261342.db2.gz UVPFSDKBGWUAJH-AWEZNQCLSA-N 0 1 279.792 3.884 20 0 CHADMN Cc1cc(F)c(CNCC2SCCS2)c(Cl)c1 ZINC000850402630 1123263835 /nfs/dbraw/zinc/26/38/35/1123263835.db2.gz QPMBKDSAVDORLM-UHFFFAOYSA-N 0 1 291.844 3.683 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccn1)c1ccc2c(c1)CCCO2 ZINC000850419887 1123264317 /nfs/dbraw/zinc/26/43/17/1123264317.db2.gz FSCBRJNOJRNPJS-KBPBESRZSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1cccc([C@H](C)NC2(C(=O)Nc3ccccc3)CC2)c1 ZINC000427972858 1123266276 /nfs/dbraw/zinc/26/62/76/1123266276.db2.gz BWFXPPOCGZUBNF-HNNXBMFYSA-N 0 1 294.398 3.817 20 0 CHADMN Cc1cc(CN[C@H](C)c2cc3cnccc3o2)c(C)o1 ZINC000850444155 1123268047 /nfs/dbraw/zinc/26/80/47/1123268047.db2.gz RAMKYHWCUSAJOR-LLVKDONJSA-N 0 1 270.332 3.888 20 0 CHADMN C[C@@H](N[C@H](C)c1cncc(Br)c1)c1ccc[nH]1 ZINC000850448760 1123268924 /nfs/dbraw/zinc/26/89/24/1123268924.db2.gz PHBBGXFMANEXBZ-NXEZZACHSA-N 0 1 294.196 3.584 20 0 CHADMN Cc1ccc(CN(Cc2ccco2)C2CCCC2)nc1 ZINC000156224060 1129110717 /nfs/dbraw/zinc/11/07/17/1129110717.db2.gz HAJVPMZIGZOXMZ-UHFFFAOYSA-N 0 1 270.376 3.928 20 0 CHADMN CCc1nc(C)c(CNC(C)(C)c2ccccc2)o1 ZINC000428223956 1123280800 /nfs/dbraw/zinc/28/08/00/1123280800.db2.gz QCCOKECKBPDDJT-UHFFFAOYSA-N 0 1 258.365 3.570 20 0 CHADMN Oc1cccc2c1CCC[C@@H]2N[C@H]1C[C@@H](O)c2ccccc21 ZINC000850525333 1123280914 /nfs/dbraw/zinc/28/09/14/1123280914.db2.gz IMLWOUDSNOCIBE-JENIJYKNSA-N 0 1 295.382 3.538 20 0 CHADMN C[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1ccnc(Cl)c1 ZINC000850526980 1123281616 /nfs/dbraw/zinc/28/16/16/1123281616.db2.gz DJXCQZXCRXTZGI-LKTVYLICSA-N 0 1 288.778 3.564 20 0 CHADMN COc1cc(C)ccc1[C@H](C)N[C@H]1C[C@@H](O)c2ccccc21 ZINC000850528731 1123282845 /nfs/dbraw/zinc/28/28/45/1123282845.db2.gz KKFVRRAMCLSKCE-DOPJRALCSA-N 0 1 297.398 3.833 20 0 CHADMN COc1cc(C)ccc1[C@H](C)N[C@H]1C[C@H](O)c2ccccc21 ZINC000850528732 1123282966 /nfs/dbraw/zinc/28/29/66/1123282966.db2.gz KKFVRRAMCLSKCE-KKXDTOCCSA-N 0 1 297.398 3.833 20 0 CHADMN CC(C)C[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1ccccn1 ZINC000850529411 1123284145 /nfs/dbraw/zinc/28/41/45/1123284145.db2.gz QZORBPBGTCANNN-CEXWTWQISA-N 0 1 296.414 3.937 20 0 CHADMN Cc1ccc2oc(CN[C@H]3CCCc4n[nH]cc43)cc2c1 ZINC000850532144 1123285162 /nfs/dbraw/zinc/28/51/62/1123285162.db2.gz QGSZIBDFXHLSGC-HNNXBMFYSA-N 0 1 281.359 3.632 20 0 CHADMN COc1cccc([C@@H](C)N(C)Cc2ccc(Cl)nc2)c1 ZINC000109378165 1123287461 /nfs/dbraw/zinc/28/74/61/1123287461.db2.gz NJRHLBKSYQJAJF-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN C[C@H](NCC1=CCCC1)c1cc(Br)ncc1F ZINC000850558153 1123290972 /nfs/dbraw/zinc/29/09/72/1123290972.db2.gz UOSWNBUGLRBGRF-VIFPVBQESA-N 0 1 299.187 3.744 20 0 CHADMN C[C@@H](NCC1=CCCC1)c1nc(Br)cs1 ZINC000850556306 1123291007 /nfs/dbraw/zinc/29/10/07/1123291007.db2.gz GABYXAFFJWBQTK-MRVPVSSYSA-N 0 1 287.226 3.667 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(F)c3cccnc23)CCS1 ZINC000353878465 1123308529 /nfs/dbraw/zinc/30/85/29/1123308529.db2.gz CZMNSJPXZKCKRW-UHFFFAOYSA-N 0 1 290.407 3.701 20 0 CHADMN CC(C)c1cnc(CN2CCC[C@]3(CCCOC3)C2)s1 ZINC000335148013 1123311495 /nfs/dbraw/zinc/31/14/95/1123311495.db2.gz ZVJSFWFWODORDK-INIZCTEOSA-N 0 1 294.464 3.659 20 0 CHADMN CO[C@H]1C[C@@H](NCc2c(F)cccc2Cl)C12CCC2 ZINC000713470939 1123314619 /nfs/dbraw/zinc/31/46/19/1123314619.db2.gz MBBOAQJZCPPPOJ-KGLIPLIRSA-N 0 1 283.774 3.526 20 0 CHADMN Cc1cccc(CN(C)CCOc2ccc(Cl)cc2)n1 ZINC000346419540 1123316011 /nfs/dbraw/zinc/31/60/11/1123316011.db2.gz GCRLFHZADAHYFS-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC(C)(C)C[C@@H]1C ZINC000335174137 1123316276 /nfs/dbraw/zinc/31/62/76/1123316276.db2.gz PAPNBGXDXPBJBS-RYUDHWBXSA-N 0 1 285.391 3.517 20 0 CHADMN Cc1ncc(CN[C@H]2CC[C@@H](C)c3ccsc32)o1 ZINC000335181361 1123323993 /nfs/dbraw/zinc/32/39/93/1123323993.db2.gz PBNFCPPICRPNNT-RNCFNFMXSA-N 0 1 262.378 3.773 20 0 CHADMN CC1=C[C@@H](C)CN([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000335232506 1123326109 /nfs/dbraw/zinc/32/61/09/1123326109.db2.gz USFSSHSVZXRZID-OCCSQVGLSA-N 0 1 283.375 3.696 20 0 CHADMN C[C@@H](Nc1ccc(Cl)c(CN(C)C)c1)[C@@H]1CCCOC1 ZINC000467444265 1123328963 /nfs/dbraw/zinc/32/89/63/1123328963.db2.gz GQTDHPBVCSOEBR-CHWSQXEVSA-N 0 1 296.842 3.629 20 0 CHADMN Cc1ccnc([C@@H]2CCN(Cc3nc(C4CC4)cs3)C2)c1 ZINC000521456560 1123329805 /nfs/dbraw/zinc/32/98/05/1123329805.db2.gz BJCZXGIOBHJSPM-CQSZACIVSA-N 0 1 299.443 3.713 20 0 CHADMN Cc1occc1CN[C@@H]1CCOc2c(C)cccc21 ZINC000335258830 1123331763 /nfs/dbraw/zinc/33/17/63/1123331763.db2.gz CQVWJAHVIGFSAO-OAHLLOKOSA-N 0 1 257.333 3.510 20 0 CHADMN CC[C@@H]1CCCCCN1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442883007 1123347226 /nfs/dbraw/zinc/34/72/26/1123347226.db2.gz GFTMBPDFPWEXCC-LLVKDONJSA-N 0 1 275.318 3.583 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccc3ccoc3c2)c1 ZINC000442936126 1123348876 /nfs/dbraw/zinc/34/88/76/1123348876.db2.gz RAIKDOBTVXLPBI-UHFFFAOYSA-N 0 1 291.310 3.870 20 0 CHADMN CCOc1cccc(CNC2(c3ccccc3)CCC2)n1 ZINC000156670877 1129115831 /nfs/dbraw/zinc/11/58/31/1129115831.db2.gz DFPWVUCJCRYZAQ-UHFFFAOYSA-N 0 1 282.387 3.649 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)c1ccoc1 ZINC000156779561 1129116835 /nfs/dbraw/zinc/11/68/35/1129116835.db2.gz LRKVGFGKFKRKLX-ZIAGYGMSSA-N 0 1 298.386 3.818 20 0 CHADMN NC1(c2noc(-c3cccc(C(F)F)c3F)n2)CCCC1 ZINC000634555337 1129116862 /nfs/dbraw/zinc/11/68/62/1129116862.db2.gz IABKIUCBGIODLC-UHFFFAOYSA-N 0 1 297.280 3.541 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)Cc1cscn1 ZINC000191057935 1123362201 /nfs/dbraw/zinc/36/22/01/1123362201.db2.gz GPKYRZVQQTWMRD-JSGCOSHPSA-N 0 1 250.411 3.567 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1CN(C)Cc1cscn1 ZINC000191057935 1123362204 /nfs/dbraw/zinc/36/22/04/1123362204.db2.gz GPKYRZVQQTWMRD-JSGCOSHPSA-N 0 1 250.411 3.567 20 0 CHADMN CC1=CCC[C@@H](C)[C@@H]1CN(C)Cc1nccs1 ZINC000191076219 1123364161 /nfs/dbraw/zinc/36/41/61/1123364161.db2.gz NIMFFBJPGBDPCE-CHWSQXEVSA-N 0 1 250.411 3.567 20 0 CHADMN Cc1cc(F)ccc1-c1noc(CN2[C@H](C)CC[C@H]2C)n1 ZINC000443210477 1123365149 /nfs/dbraw/zinc/36/51/49/1123365149.db2.gz IYHXAQXLHROWAS-VXGBXAGGSA-N 0 1 289.354 3.557 20 0 CHADMN CCc1nc([C@H](C)N(C)c2ccc3ccccc3c2)n[nH]1 ZINC000851721450 1123373712 /nfs/dbraw/zinc/37/37/12/1123373712.db2.gz KXRODKZLUQTFLB-LBPRGKRZSA-N 0 1 280.375 3.718 20 0 CHADMN FC(F)OCCN(Cc1ccco1)Cc1ccccc1 ZINC000851721971 1123375684 /nfs/dbraw/zinc/37/56/84/1123375684.db2.gz RVTBNMXLINJAMC-UHFFFAOYSA-N 0 1 281.302 3.521 20 0 CHADMN C[C@H](N[C@H]1CCCc2cc(N)ccc21)c1ccncc1F ZINC000335481422 1123377547 /nfs/dbraw/zinc/37/75/47/1123377547.db2.gz RVNCKDGBEOHKPT-GTNSWQLSSA-N 0 1 285.366 3.531 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)CCN2CCOC(F)F)o1 ZINC000851793027 1123380552 /nfs/dbraw/zinc/38/05/52/1123380552.db2.gz RTRJUQYXVIZVKE-PWSUYJOCSA-N 0 1 273.323 3.600 20 0 CHADMN CCN(Cc1cccc(F)n1)[C@H](C)c1cccc(O)c1 ZINC000851801913 1123381911 /nfs/dbraw/zinc/38/19/11/1123381911.db2.gz YTFCGMXTLGNGMH-GFCCVEGCSA-N 0 1 274.339 3.509 20 0 CHADMN CC1(C)c2ccccc2CCN1Cc1cccc(F)n1 ZINC000851893299 1123386581 /nfs/dbraw/zinc/38/65/81/1123386581.db2.gz VPNWCBLPSIWDDO-UHFFFAOYSA-N 0 1 270.351 3.514 20 0 CHADMN Cc1cc(-c2nnc(CN(C)[C@@H](C)C(C)(C)C)o2)c(C)o1 ZINC000535562105 1123386947 /nfs/dbraw/zinc/38/69/47/1123386947.db2.gz MXANFLYBBSLBNZ-LBPRGKRZSA-N 0 1 291.395 3.813 20 0 CHADMN Clc1csc(CN[C@H]2COCc3ccccc32)c1 ZINC000335637586 1123387489 /nfs/dbraw/zinc/38/74/89/1123387489.db2.gz PXYVGQSPWUIZSS-AWEZNQCLSA-N 0 1 279.792 3.763 20 0 CHADMN CC[C@@]1(C)CN(Cc2cccc(-c3cccnc3)c2)CCO1 ZINC000191144060 1123387709 /nfs/dbraw/zinc/38/77/09/1123387709.db2.gz BIOMBOIDSPKJJI-IBGZPJMESA-N 0 1 296.414 3.750 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)Nc1cc(C)ccc1F ZINC000335669655 1123390742 /nfs/dbraw/zinc/39/07/42/1123390742.db2.gz STUZWOBQKPMNNY-UHFFFAOYSA-N 0 1 298.268 3.747 20 0 CHADMN Cc1nc(CN(C)C[C@@H]2C(C)=CCC[C@H]2C)cs1 ZINC000443406426 1123394920 /nfs/dbraw/zinc/39/49/20/1123394920.db2.gz MDYFFAYNRVXKDA-IUODEOHRSA-N 0 1 264.438 3.876 20 0 CHADMN O=C1CC[C@@H](CN2CCCC[C@@H]2c2ccc(Cl)cc2)O1 ZINC000852140348 1123397896 /nfs/dbraw/zinc/39/78/96/1123397896.db2.gz KCHZZTRROWWHME-LSDHHAIUSA-N 0 1 293.794 3.573 20 0 CHADMN CCCCC[C@H](NC(=O)N(C)Cc1cnc[nH]1)C(C)(C)C ZINC000852115084 1123398698 /nfs/dbraw/zinc/39/86/98/1123398698.db2.gz LRPAETXJNJHXIB-AWEZNQCLSA-N 0 1 294.443 3.546 20 0 CHADMN Cc1cccc(C2(NCc3cccc(F)n3)CCC2)c1 ZINC000852206426 1123399722 /nfs/dbraw/zinc/39/97/22/1123399722.db2.gz JSUVQNUFPOKTDS-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN CCCCC1=NN(Cc2cccc3cccnc32)C(=O)[C@H]1C ZINC000634592337 1129119264 /nfs/dbraw/zinc/11/92/64/1129119264.db2.gz GROLVLAMMFHHHN-ZDUSSCGKSA-N 0 1 295.386 3.759 20 0 CHADMN CCCCc1[nH]n(Cc2cccc3cccnc32)c(=O)c1C ZINC000634592337 1129119267 /nfs/dbraw/zinc/11/92/67/1129119267.db2.gz GROLVLAMMFHHHN-ZDUSSCGKSA-N 0 1 295.386 3.759 20 0 CHADMN CC(C)Cn1nccc1CN1CCC[C@H]1c1ccc(O)cc1 ZINC000648004119 1123401912 /nfs/dbraw/zinc/40/19/12/1123401912.db2.gz QPGCGQOEKCDSKW-SFHVURJKSA-N 0 1 299.418 3.582 20 0 CHADMN Cc1ccnc(CN2CCC[C@@H]2c2c(C)cccc2C)n1 ZINC000852312284 1123402552 /nfs/dbraw/zinc/40/25/52/1123402552.db2.gz HGCQXJDKTCPDKL-MRXNPFEDSA-N 0 1 281.403 3.739 20 0 CHADMN CC[C@@H](C)N(C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000110796304 1123412965 /nfs/dbraw/zinc/41/29/65/1123412965.db2.gz XLMPLEFHMDJXJC-CYBMUJFWSA-N 0 1 276.424 3.653 20 0 CHADMN Cc1ccnc(CN2CCC[C@@H](C3CCCCC3)C2)n1 ZINC000852726190 1123414178 /nfs/dbraw/zinc/41/41/78/1123414178.db2.gz WKDIJMPIHCALAU-MRXNPFEDSA-N 0 1 273.424 3.577 20 0 CHADMN C[C@H]1CC[C@H](NCc2ccc(F)cn2)c2ccccc21 ZINC000335715130 1123414433 /nfs/dbraw/zinc/41/44/33/1123414433.db2.gz PPWCACDHRFGQQW-SJCJKPOMSA-N 0 1 270.351 3.949 20 0 CHADMN Cc1ccc(N2CCN([C@@H](C)c3ccccn3)CC2)c(C)c1 ZINC000852745782 1123414896 /nfs/dbraw/zinc/41/48/96/1123414896.db2.gz ZMISGNLJZBVCRF-KRWDZBQOSA-N 0 1 295.430 3.582 20 0 CHADMN Cc1ccc2nc(SC[C@@H](F)C(F)(F)F)[nH]c2c1 ZINC000443478978 1123415391 /nfs/dbraw/zinc/41/53/91/1123415391.db2.gz VUAUBVGLJHDQIU-SECBINFHSA-N 0 1 278.274 3.864 20 0 CHADMN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CC2CC1(C)C2 ZINC000852785731 1123415930 /nfs/dbraw/zinc/41/59/30/1123415930.db2.gz GHQSDSUVVPLLAZ-CDJWAVJASA-N 0 1 294.398 3.651 20 0 CHADMN Cc1cc(CNCc2cc(C)cc3c(C)c(C)[nH]c32)on1 ZINC000631065406 1123420428 /nfs/dbraw/zinc/42/04/28/1123420428.db2.gz RKWNXLSRBUXWKY-UHFFFAOYSA-N 0 1 283.375 3.679 20 0 CHADMN Cc1ccc(C2(N[C@H](c3nccn3C)C3CC3)CCC2)cc1 ZINC000639287565 1123423264 /nfs/dbraw/zinc/42/32/64/1123423264.db2.gz MHYBIKUEXWAGBV-KRWDZBQOSA-N 0 1 295.430 3.849 20 0 CHADMN Cc1cc(Cl)ccc1C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000665350935 1123433352 /nfs/dbraw/zinc/43/33/52/1123433352.db2.gz KDFGIIIYGUQTJJ-UHFFFAOYSA-N 0 1 283.799 3.581 20 0 CHADMN CCc1ccc([C@@H](NCc2ccnc(OC)n2)C(C)C)cc1 ZINC000395116211 1123437496 /nfs/dbraw/zinc/43/74/96/1123437496.db2.gz GTDQQLBIBPJMOA-KRWDZBQOSA-N 0 1 299.418 3.535 20 0 CHADMN Cc1cc2ccc(Cl)cc2nc1N1N=C2CCC[C@@H]2C1=O ZINC000634615817 1129121731 /nfs/dbraw/zinc/12/17/31/1129121731.db2.gz SFNPEHUPNBULDC-LBPRGKRZSA-N 0 1 299.761 3.699 20 0 CHADMN C[C@@H](N(C)Cc1cc(C(C)(C)C)on1)C1(C)CC1 ZINC000429680479 1123438931 /nfs/dbraw/zinc/43/89/31/1123438931.db2.gz DXYHVSGEMBJXEF-LLVKDONJSA-N 0 1 250.386 3.593 20 0 CHADMN Cc1occc1CN[C@@H]1CCCOc2ccc(F)cc21 ZINC000335843961 1123445541 /nfs/dbraw/zinc/44/55/41/1123445541.db2.gz VYGUGUHMQZIYHH-OAHLLOKOSA-N 0 1 275.323 3.731 20 0 CHADMN Cc1cc([C@@H]2CCC[N@H+]2CCCCC(F)(F)F)on1 ZINC000443619347 1123448695 /nfs/dbraw/zinc/44/86/95/1123448695.db2.gz GTHFUCMARNMWQM-NSHDSACASA-N 0 1 276.302 3.853 20 0 CHADMN Cc1cc([C@@H]2CCCN2CCCCC(F)(F)F)on1 ZINC000443619347 1123448697 /nfs/dbraw/zinc/44/86/97/1123448697.db2.gz GTHFUCMARNMWQM-NSHDSACASA-N 0 1 276.302 3.853 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@@H](C)C[C@@H](C)C2)n1 ZINC000443637233 1123456323 /nfs/dbraw/zinc/45/63/23/1123456323.db2.gz AQSAEXKOSZIALI-MCIONIFRSA-N 0 1 279.428 3.841 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCOC[C@@H]1C1CC1 ZINC000443642071 1123457357 /nfs/dbraw/zinc/45/73/57/1123457357.db2.gz RAGNGABPGCTKNW-OAHLLOKOSA-N 0 1 299.336 3.625 20 0 CHADMN Cc1cccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)nc3C2)c1 ZINC000335884284 1123457910 /nfs/dbraw/zinc/45/79/10/1123457910.db2.gz KAIUQMIAVPWBOY-CYBMUJFWSA-N 0 1 297.402 3.585 20 0 CHADMN Cc1cccc(CN[C@@H]2CCSc3ccccc32)n1 ZINC000051573787 1123463762 /nfs/dbraw/zinc/46/37/62/1123463762.db2.gz SJWWREHVUBLULL-OAHLLOKOSA-N 0 1 270.401 3.717 20 0 CHADMN C[C@@H]1CCCCN1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000443676918 1123469071 /nfs/dbraw/zinc/46/90/71/1123469071.db2.gz XGRWXBNOFKCLTQ-GFCCVEGCSA-N 0 1 291.345 3.525 20 0 CHADMN Fc1ccc(-n2nccc2CN2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000474144705 1123469447 /nfs/dbraw/zinc/46/94/47/1123469447.db2.gz CIKZMNLNNDVEIQ-KSSFIOAISA-N 0 1 299.393 3.776 20 0 CHADMN C[C@@H]1CCN[C@H](c2nc(-c3cccc4occc43)no2)C1 ZINC001211880913 1123470080 /nfs/dbraw/zinc/47/00/80/1123470080.db2.gz SGGFKRXRFYROCT-MFKMUULPSA-N 0 1 283.331 3.543 20 0 CHADMN Cc1oc(C(C)(C)C)cc1CN(C)CC1=CCCOC1 ZINC000895371636 1123470489 /nfs/dbraw/zinc/47/04/89/1123470489.db2.gz QYWSLELRSQJJEK-UHFFFAOYSA-N 0 1 277.408 3.664 20 0 CHADMN Cc1cc(C)cc(CN2CCN(c3cccs3)CC2)c1 ZINC001168026339 1123471315 /nfs/dbraw/zinc/47/13/15/1123471315.db2.gz QHQYYIWIQGRGPW-UHFFFAOYSA-N 0 1 286.444 3.687 20 0 CHADMN CC[C@H](NC)c1nc(-c2ccc3sccc3c2)no1 ZINC000854139390 1123471487 /nfs/dbraw/zinc/47/14/87/1123471487.db2.gz SSATUARBLGWOBB-NSHDSACASA-N 0 1 273.361 3.622 20 0 CHADMN C[C@@H](OC(=O)c1ccoc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000111989174 1123472698 /nfs/dbraw/zinc/47/26/98/1123472698.db2.gz FSSDQVSFTHVTFB-MRVPVSSYSA-N 0 1 290.706 3.727 20 0 CHADMN Cc1ncoc1CN[C@H]1CCCc2ccc(Cl)cc21 ZINC000895405862 1123476998 /nfs/dbraw/zinc/47/69/98/1123476998.db2.gz OZZCKGGQDHRWSN-AWEZNQCLSA-N 0 1 276.767 3.804 20 0 CHADMN COc1cccc(CNCc2cc(O)cc(Cl)c2)c1C ZINC000895467607 1123484432 /nfs/dbraw/zinc/48/44/32/1123484432.db2.gz RVIKOPXVHPIFPP-UHFFFAOYSA-N 0 1 291.778 3.652 20 0 CHADMN FC[C@@H]1CCN(Cc2ccc(Sc3ccccn3)o2)C1 ZINC000895571875 1123492072 /nfs/dbraw/zinc/49/20/72/1123492072.db2.gz BBQZRLILDYWTKS-LBPRGKRZSA-N 0 1 292.379 3.617 20 0 CHADMN FC[C@@H]1CCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000895574187 1123492241 /nfs/dbraw/zinc/49/22/41/1123492241.db2.gz UZQQPZBZZCGSJK-QMMMGPOBSA-N 0 1 267.291 3.558 20 0 CHADMN CC1(C)CCC(=CC(=O)NCc2ccc3nc[nH]c3c2)CC1 ZINC000854810141 1123495054 /nfs/dbraw/zinc/49/50/54/1123495054.db2.gz MSTLBMHHZPNWJV-UHFFFAOYSA-N 0 1 297.402 3.706 20 0 CHADMN CC(C)C[C@H](CN(C)Cc1ccon1)c1ccccc1 ZINC000474270178 1123498916 /nfs/dbraw/zinc/49/89/16/1123498916.db2.gz LUJXJEFTUAWGDF-MRXNPFEDSA-N 0 1 272.392 3.936 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1cnn(-c2ccccc2)n1)C1CC1 ZINC000729545906 1123500089 /nfs/dbraw/zinc/50/00/89/1123500089.db2.gz YZKNFJJWLUSVSX-HUUCEWRRSA-N 0 1 298.434 3.666 20 0 CHADMN CC(C)N(Cc1noc(-c2ccccc2)n1)C1CCCC1 ZINC000114718198 1123507570 /nfs/dbraw/zinc/50/75/70/1123507570.db2.gz ZBPLELWFODRAPR-UHFFFAOYSA-N 0 1 285.391 3.890 20 0 CHADMN CN(Cc1cccnc1)Cc1ccc2ccccc2c1 ZINC000338968439 1123510552 /nfs/dbraw/zinc/51/05/52/1123510552.db2.gz OLPPIVMBGHHJLG-UHFFFAOYSA-N 0 1 262.356 3.867 20 0 CHADMN CC[C@@H](C)N(CC)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000050813069 1123511846 /nfs/dbraw/zinc/51/18/46/1123511846.db2.gz SINSKBDSMMCQJA-SECBINFHSA-N 0 1 292.452 3.511 20 0 CHADMN CC[C@@H](Cc1ccc(Cl)cc1)N[C@H](C)c1ncco1 ZINC000895764829 1123512557 /nfs/dbraw/zinc/51/25/57/1123512557.db2.gz JMNXFFZECORPMR-RISCZKNCSA-N 0 1 278.783 4.000 20 0 CHADMN CCOc1cc(-c2nc3cccc(C)c3[nH]2)ccc1O ZINC000261367476 1123515211 /nfs/dbraw/zinc/51/52/11/1123515211.db2.gz SYKWSYWUDPHDOM-UHFFFAOYSA-N 0 1 268.316 3.643 20 0 CHADMN Cc1cc(C)cc(C2=CCN(Cc3cc(C)ncn3)CC2)c1 ZINC000428295565 1123517418 /nfs/dbraw/zinc/51/74/18/1123517418.db2.gz SEIFPSBDHXNSAI-UHFFFAOYSA-N 0 1 293.414 3.691 20 0 CHADMN CN(Cc1coc2ccc(F)cc12)Cc1cccnc1 ZINC001141846602 1123518902 /nfs/dbraw/zinc/51/89/02/1123518902.db2.gz FSVBIXPJVUNYEN-UHFFFAOYSA-N 0 1 270.307 3.599 20 0 CHADMN CC(C)[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000474399930 1123520919 /nfs/dbraw/zinc/52/09/19/1123520919.db2.gz OLHULEKWCGAYRX-OAHLLOKOSA-N 0 1 297.402 3.585 20 0 CHADMN CN(Cc1cnn(C2CCC2)c1)Cc1ccc2cc[nH]c2c1 ZINC000895868696 1123525056 /nfs/dbraw/zinc/52/50/56/1123525056.db2.gz IFROJTVZMVGYPW-UHFFFAOYSA-N 0 1 294.402 3.721 20 0 CHADMN CN(CCCF)Cc1cnc(CCc2ccccc2)s1 ZINC000895895915 1123529269 /nfs/dbraw/zinc/52/92/69/1123529269.db2.gz IIGSETLSCNIPQO-UHFFFAOYSA-N 0 1 292.423 3.720 20 0 CHADMN C[C@H]1CC[C@H](CC(=O)Nc2cc(F)cc(Cl)c2O)C1 ZINC000474444872 1123530785 /nfs/dbraw/zinc/53/07/85/1123530785.db2.gz IYPSMGBIUBZHOL-IUCAKERBSA-N 0 1 285.746 3.950 20 0 CHADMN C[C@@H]1CCC[C@@H](C(=O)Nc2cc(F)cc(Cl)c2O)C1 ZINC000474440806 1123531535 /nfs/dbraw/zinc/53/15/35/1123531535.db2.gz VFAZYLRBWHOPLK-RKDXNWHRSA-N 0 1 285.746 3.950 20 0 CHADMN COCC1CN(Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000895971969 1123537315 /nfs/dbraw/zinc/53/73/15/1123537315.db2.gz ZMPCHAAMCYNBFP-UHFFFAOYSA-N 0 1 291.391 3.632 20 0 CHADMN O=C(Nc1ccc2c(c1)C=CCCC2)c1cn[nH]c1C1CC1 ZINC000855857969 1123538345 /nfs/dbraw/zinc/53/83/45/1123538345.db2.gz BIIWKVNJOVGFER-UHFFFAOYSA-N 0 1 293.370 3.889 20 0 CHADMN C[C@@H]1C[C@@H](NCc2csc(-c3cccs3)n2)[C@H](C)O1 ZINC000631221069 1123554333 /nfs/dbraw/zinc/55/43/33/1123554333.db2.gz DVVOOIOOPSDFBD-JFGNBEQYSA-N 0 1 294.445 3.527 20 0 CHADMN Cc1cc(CNCc2ccccc2OC(C)C)c(C)o1 ZINC000114505103 1123565122 /nfs/dbraw/zinc/56/51/22/1123565122.db2.gz XRJFIHQZTUWFHT-UHFFFAOYSA-N 0 1 273.376 3.973 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1cc(C(=O)[O-])co1)C1CCCCC1 ZINC000530174514 1123565625 /nfs/dbraw/zinc/56/56/25/1123565625.db2.gz YLBLQNAIEXPGQA-LBPRGKRZSA-N 0 1 279.380 3.626 20 0 CHADMN Clc1cncc(CN2CC[C@@H]2Cc2ccccc2)c1 ZINC000856728633 1123566088 /nfs/dbraw/zinc/56/60/88/1123566088.db2.gz XASYEQZEVPEPKF-MRXNPFEDSA-N 0 1 272.779 3.552 20 0 CHADMN CCOc1cncc(CNC(C)(C)c2ccc(F)cc2)c1 ZINC000856769218 1123567339 /nfs/dbraw/zinc/56/73/39/1123567339.db2.gz UGPUQYRCJUMQQJ-UHFFFAOYSA-N 0 1 288.366 3.644 20 0 CHADMN CC[C@@H](N[C@H](CC)c1cccc(OC)n1)c1ccncc1 ZINC000925131633 1123568177 /nfs/dbraw/zinc/56/81/77/1123568177.db2.gz UVSCLYCPARVRBC-HUUCEWRRSA-N 0 1 285.391 3.677 20 0 CHADMN Cn1ccc([C@H]2CCCN(Cc3cscc3Cl)C2)n1 ZINC000896493094 1123589798 /nfs/dbraw/zinc/58/97/98/1123589798.db2.gz LNIAVWACCAQMIY-NSHDSACASA-N 0 1 295.839 3.515 20 0 CHADMN CCCC[C@@H](CC)CCCN(C)C(=O)c1cnc(C)[nH]1 ZINC000621111234 1129131580 /nfs/dbraw/zinc/13/15/80/1129131580.db2.gz DOYVZGHTUPWERS-CQSZACIVSA-N 0 1 279.428 3.787 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2ncc(-c3cccs3)o2)C1 ZINC000041646279 1123594127 /nfs/dbraw/zinc/59/41/27/1123594127.db2.gz DNDYXDSBGPSQAX-TXEJJXNPSA-N 0 1 276.405 3.881 20 0 CHADMN CC(C)=CCNCc1ccsc1Br ZINC000308343382 1123613047 /nfs/dbraw/zinc/61/30/47/1123613047.db2.gz SIZSYWHFBHUNFM-UHFFFAOYSA-N 0 1 260.200 3.566 20 0 CHADMN CC(C)OCCCN(C)Cc1cccc(F)c1Cl ZINC000339003636 1123597580 /nfs/dbraw/zinc/59/75/80/1123597580.db2.gz KUVHIKHCTPZVAG-UHFFFAOYSA-N 0 1 273.779 3.726 20 0 CHADMN FCCC1CCN(Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000639376609 1123600299 /nfs/dbraw/zinc/60/02/99/1123600299.db2.gz RCWXFNNDKHQJKY-CQSZACIVSA-N 0 1 298.427 3.566 20 0 CHADMN c1ccc([C@H](NCc2cccc3c2NCCC3)C2CC2)nc1 ZINC000896610074 1123605365 /nfs/dbraw/zinc/60/53/65/1123605365.db2.gz SYRCVIZFNMEUJN-LJQANCHMSA-N 0 1 293.414 3.681 20 0 CHADMN Clc1cccc(Cl)c1CN[C@@H]1CCCc2cn[nH]c21 ZINC000857851776 1123622124 /nfs/dbraw/zinc/62/21/24/1123622124.db2.gz QUPBCHFTOJUGCM-CYBMUJFWSA-N 0 1 296.201 3.884 20 0 CHADMN c1n[nH]c2c1CCC[C@H]2Nc1cccc(C2CCOCC2)c1 ZINC000857871407 1123623559 /nfs/dbraw/zinc/62/35/59/1123623559.db2.gz OTOYEFMTIBBTMG-QGZVFWFLSA-N 0 1 297.402 3.793 20 0 CHADMN C[C@H]1CCCC[C@@H]1c1noc(-c2ccc3cncn3c2)n1 ZINC000329577888 1123626352 /nfs/dbraw/zinc/62/63/52/1123626352.db2.gz KKDSRXXZEPHFLP-FZMZJTMJSA-N 0 1 282.347 3.678 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000157860444 1129134434 /nfs/dbraw/zinc/13/44/34/1129134434.db2.gz VYMADPGHXSTZET-CWTRNNRKSA-N 0 1 293.457 3.679 20 0 CHADMN Cc1occc1CN1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858020533 1123628496 /nfs/dbraw/zinc/62/84/96/1123628496.db2.gz QQUYMGIKPMZJIW-QGZVFWFLSA-N 0 1 298.386 3.514 20 0 CHADMN C[C@H](NCc1ccnc(F)c1)c1ccccc1OC(F)F ZINC000858091492 1123630352 /nfs/dbraw/zinc/63/03/52/1123630352.db2.gz VTWLQWIVVZVNRZ-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN CC1(C)CCC[C@@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000329609144 1123631621 /nfs/dbraw/zinc/63/16/21/1123631621.db2.gz QZAHBMOWRMOUJL-CYBMUJFWSA-N 0 1 282.347 3.678 20 0 CHADMN Fc1cc(CN[C@H]2CCc3c2cccc3Cl)ccn1 ZINC000858118050 1123633201 /nfs/dbraw/zinc/63/32/01/1123633201.db2.gz LYBZXJPQUIJQLU-AWEZNQCLSA-N 0 1 276.742 3.651 20 0 CHADMN Cc1nc(Cl)ccc1NC(=O)c1ccc(O)c(Cl)c1 ZINC000192466918 1123634362 /nfs/dbraw/zinc/63/43/62/1123634362.db2.gz XHENPRCFTBRIJY-UHFFFAOYSA-N 0 1 297.141 3.655 20 0 CHADMN Cc1cc([C@H](C)NCc2ccnc(F)c2)cc(C)c1F ZINC000858146539 1123634599 /nfs/dbraw/zinc/63/45/99/1123634599.db2.gz FXXRYTGVVIJUAF-LBPRGKRZSA-N 0 1 276.330 3.827 20 0 CHADMN Cc1nc2c(s1)[C@@H](NCc1ccncc1Cl)CCC2 ZINC000858157788 1123635223 /nfs/dbraw/zinc/63/52/23/1123635223.db2.gz POKRDFMNLJEELX-LBPRGKRZSA-N 0 1 293.823 3.667 20 0 CHADMN Fc1cc(F)c2c(c1)[C@H](NCc1ccnc(F)c1)CCC2 ZINC000858171144 1123635673 /nfs/dbraw/zinc/63/56/73/1123635673.db2.gz VGVWMPKHFPTSSJ-OAHLLOKOSA-N 0 1 292.304 3.666 20 0 CHADMN CC(C)[C@@H](NCc1ccnc(F)c1)c1ccccc1F ZINC000858188805 1123636890 /nfs/dbraw/zinc/63/68/90/1123636890.db2.gz IDMKYJTYOWBCMN-MRXNPFEDSA-N 0 1 276.330 3.847 20 0 CHADMN COCc1ccc(CN2Cc3ccccc3[C@H]2C)cc1 ZINC000339011211 1123641534 /nfs/dbraw/zinc/64/15/34/1123641534.db2.gz QVYZGZJTUMSMNY-CQSZACIVSA-N 0 1 267.372 3.910 20 0 CHADMN C[C@@H](NC[C@H]1CCC=CO1)c1c(F)cccc1Cl ZINC000194498644 1129135491 /nfs/dbraw/zinc/13/54/91/1129135491.db2.gz FAVJXSMXEMFYSG-GHMZBOCLSA-N 0 1 269.747 3.822 20 0 CHADMN C[C@@H](NCc1ccc(OCC2CC2)cc1)c1ccns1 ZINC000858317392 1123644567 /nfs/dbraw/zinc/64/45/67/1123644567.db2.gz YQLYWPFZTMKXMZ-GFCCVEGCSA-N 0 1 288.416 3.783 20 0 CHADMN CCCc1ccc(CN[C@H](C)c2ccns2)cc1 ZINC000858317403 1123644602 /nfs/dbraw/zinc/64/46/02/1123644602.db2.gz NEGOZEZPCRPMMO-GFCCVEGCSA-N 0 1 260.406 3.946 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCO[C@@H](C2CC2)C1 ZINC000443859442 1123644734 /nfs/dbraw/zinc/64/47/34/1123644734.db2.gz SMDNRULJAOZJCA-OAHLLOKOSA-N 0 1 299.336 3.625 20 0 CHADMN Fc1cc(CN[C@H]2CCc3ccc(Cl)cc32)ccn1 ZINC000858321364 1123645034 /nfs/dbraw/zinc/64/50/34/1123645034.db2.gz ZYSRCBYVJKCWHY-AWEZNQCLSA-N 0 1 276.742 3.651 20 0 CHADMN CC(C)n1cc(CN[C@@H]2CCc3ccc(Cl)cc32)cn1 ZINC000858321361 1123645171 /nfs/dbraw/zinc/64/51/71/1123645171.db2.gz ZTPOAEUKJNRCAI-MRXNPFEDSA-N 0 1 289.810 3.895 20 0 CHADMN CCC[C@@H](CN[C@H](C)c1cccnc1Cl)OCC ZINC000858450859 1123655354 /nfs/dbraw/zinc/65/53/54/1123655354.db2.gz KBCDZWRODMFWSV-NEPJUHHUSA-N 0 1 270.804 3.591 20 0 CHADMN C[C@H](Oc1nc2ccc(Cl)cc2[nH]1)c1ccccn1 ZINC001227261471 1123659296 /nfs/dbraw/zinc/65/92/96/1123659296.db2.gz AVRHUEHFOQOFRG-VIFPVBQESA-N 0 1 273.723 3.751 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)c1ccns1 ZINC000858577564 1123664874 /nfs/dbraw/zinc/66/48/74/1123664874.db2.gz KZSFIGIAMZLQDL-QWHCGFSZSA-N 0 1 298.415 3.741 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)c1ccns1 ZINC000858577567 1123664939 /nfs/dbraw/zinc/66/49/39/1123664939.db2.gz KZSFIGIAMZLQDL-STQMWFEESA-N 0 1 298.415 3.741 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc2c(c1)COC2)c1ccns1 ZINC000858578617 1123665759 /nfs/dbraw/zinc/66/57/59/1123665759.db2.gz PTKXHDVTMYRZJI-QWRGUYRKSA-N 0 1 274.389 3.585 20 0 CHADMN CCc1cnc(CN2CCC[C@@](C)(CC)C2)s1 ZINC000346145743 1123667227 /nfs/dbraw/zinc/66/72/27/1123667227.db2.gz DKYLTDJZTKCTFA-CQSZACIVSA-N 0 1 252.427 3.718 20 0 CHADMN Cc1ncsc1CN(C)Cc1cc(C)c2ncccc2c1 ZINC000346149001 1123667407 /nfs/dbraw/zinc/66/74/07/1123667407.db2.gz LJCFHQUIXKMFNH-UHFFFAOYSA-N 0 1 297.427 3.940 20 0 CHADMN Cc1nc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2C)cs1 ZINC000346187535 1123667937 /nfs/dbraw/zinc/66/79/37/1123667937.db2.gz WXQDVWSTGLWJID-AAEUAGOBSA-N 0 1 252.427 3.710 20 0 CHADMN Cc1nc(CN(C)C[C@@H]2CCCC[C@@H]2C)cs1 ZINC000346187535 1123667941 /nfs/dbraw/zinc/66/79/41/1123667941.db2.gz WXQDVWSTGLWJID-AAEUAGOBSA-N 0 1 252.427 3.710 20 0 CHADMN C[C@H](c1ccco1)N(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000346194295 1123671607 /nfs/dbraw/zinc/67/16/07/1123671607.db2.gz YHCAXFRVXDLETB-GFCCVEGCSA-N 0 1 295.342 3.503 20 0 CHADMN Cc1cc(CN2CCOC(C)(C)[C@@H]2C)cc2cccnc12 ZINC000346202732 1123672090 /nfs/dbraw/zinc/67/20/90/1123672090.db2.gz OPODUMYESPDXCJ-AWEZNQCLSA-N 0 1 284.403 3.543 20 0 CHADMN CN(Cc1ccc(F)c(Cl)c1)[C@@H](CO)c1ccccc1 ZINC000346239450 1123673378 /nfs/dbraw/zinc/67/33/78/1123673378.db2.gz FOEPKJDOEWHITQ-INIZCTEOSA-N 0 1 293.769 3.645 20 0 CHADMN Fc1ccc(CN2CCC3(CCCCC3)CC2)nc1 ZINC000346270106 1123677464 /nfs/dbraw/zinc/67/74/64/1123677464.db2.gz WKEWBFLFSRPJQO-UHFFFAOYSA-N 0 1 262.372 3.767 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N(C)Cc2cn3cccnc3n2)c1 ZINC000346312557 1123680040 /nfs/dbraw/zinc/68/00/40/1123680040.db2.gz FQCUREJZCULUHE-OAHLLOKOSA-N 0 1 294.402 3.539 20 0 CHADMN CCN(Cc1ccnc(F)c1)[C@@H](C)c1ccc(F)cc1 ZINC000859089690 1123683409 /nfs/dbraw/zinc/68/34/09/1123683409.db2.gz IUUCKMDDNCJCSB-LBPRGKRZSA-N 0 1 276.330 3.943 20 0 CHADMN Cc1cnccc1CN1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000859135692 1123686105 /nfs/dbraw/zinc/68/61/05/1123686105.db2.gz NQOPFDGKCWNPSL-JTDSTZFVSA-N 0 1 296.414 3.741 20 0 CHADMN Cc1cccc(CN(C)CCOc2cccc(Cl)c2)n1 ZINC000346422594 1123688082 /nfs/dbraw/zinc/68/80/82/1123688082.db2.gz PCDDIPUMSYVSAD-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN Cc1ccc(CCN2CCO[C@@H](c3cccs3)C2)cc1 ZINC000158104525 1129139027 /nfs/dbraw/zinc/13/90/27/1129139027.db2.gz YYOHHOJIDWRPTJ-MRXNPFEDSA-N 0 1 287.428 3.673 20 0 CHADMN CO[C@@H]1C[C@H](N[C@@H](C)c2csc(C(C)C)n2)C1(C)C ZINC000346555163 1123695238 /nfs/dbraw/zinc/69/52/38/1123695238.db2.gz BXQLGMWCIVXEIJ-WCFLWFBJSA-N 0 1 282.453 3.731 20 0 CHADMN CS[C@@H]1CC[C@@H]1N[C@@H](c1ccco1)c1ccccc1 ZINC000346595690 1123696108 /nfs/dbraw/zinc/69/61/08/1123696108.db2.gz FTEQDVNMQAAVBV-NUEKZKHPSA-N 0 1 273.401 3.853 20 0 CHADMN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1cc(C)no1 ZINC000346604558 1123700346 /nfs/dbraw/zinc/70/03/46/1123700346.db2.gz IXTHJMIAMKOKTN-QGZVFWFLSA-N 0 1 286.375 3.501 20 0 CHADMN Cc1ccsc1CN1CCCC[C@H]1c1ccnn1C ZINC000281378570 1123700852 /nfs/dbraw/zinc/70/08/52/1123700852.db2.gz WBFWWQNVLBNJAW-AWEZNQCLSA-N 0 1 275.421 3.517 20 0 CHADMN Cc1cc(CN2CCCC[C@H]2CCC(C)C)no1 ZINC000158123384 1129139701 /nfs/dbraw/zinc/13/97/01/1129139701.db2.gz ARJFFDHYVSBTOP-HNNXBMFYSA-N 0 1 250.386 3.774 20 0 CHADMN Clc1cc(CN(C2CC2)C2CC2)cc(Cl)n1 ZINC000859623850 1123703195 /nfs/dbraw/zinc/70/31/95/1123703195.db2.gz UYWKOCWAZQZODK-UHFFFAOYSA-N 0 1 257.164 3.515 20 0 CHADMN Cc1cccc(NC(=O)CN(C)CCC(C)(C)C)c1C ZINC000158138925 1129139853 /nfs/dbraw/zinc/13/98/53/1129139853.db2.gz CUMDISKGXUPSTE-UHFFFAOYSA-N 0 1 276.424 3.610 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000859815615 1123711773 /nfs/dbraw/zinc/71/17/73/1123711773.db2.gz QXXLHEQWTRZZES-LZLYRXPVSA-N 0 1 293.451 3.946 20 0 CHADMN CCN(Cc1cncc(F)c1)[C@H](C)c1ccc(F)cc1 ZINC000346822509 1123717747 /nfs/dbraw/zinc/71/77/47/1123717747.db2.gz KWNKFTYVNGTNQV-GFCCVEGCSA-N 0 1 276.330 3.943 20 0 CHADMN Cc1cc(F)ccc1CNc1nccn1Cc1ccccc1 ZINC000508459097 1123721708 /nfs/dbraw/zinc/72/17/08/1123721708.db2.gz RDPMNGYFCREWJE-UHFFFAOYSA-N 0 1 295.361 3.991 20 0 CHADMN COc1ccncc1CN1CCC[C@H]1/C=C\c1ccccc1 ZINC000346954482 1123736010 /nfs/dbraw/zinc/73/60/10/1123736010.db2.gz GIZVZZKRBZGKDX-LPADLIQXSA-N 0 1 294.398 3.768 20 0 CHADMN Cc1ccc(C(=O)CCN2CCC[C@H]2c2cccnc2)cc1 ZINC000346966615 1123737896 /nfs/dbraw/zinc/73/78/96/1123737896.db2.gz JIRSDRYXOSJAGH-SFHVURJKSA-N 0 1 294.398 3.800 20 0 CHADMN CCCC[C@@H](CC)CCN[C@H](C)c1csnn1 ZINC000414544366 1129141981 /nfs/dbraw/zinc/14/19/81/1129141981.db2.gz CPPIAGWKCZQDAZ-VXGBXAGGSA-N 0 1 255.431 3.795 20 0 CHADMN Cc1nc([C@H]2CCCN2CC2CC(F)(F)C2)cs1 ZINC000336257267 1123753273 /nfs/dbraw/zinc/75/32/73/1123753273.db2.gz CHMHSTBNFTUKOI-GFCCVEGCSA-N 0 1 272.364 3.634 20 0 CHADMN Cc1cccc(CNCc2cc(C)cc(Cl)n2)c1 ZINC000281942982 1123754886 /nfs/dbraw/zinc/75/48/86/1123754886.db2.gz IEBDVECOPGWTLZ-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2CCOc3c(F)cccc32)s1 ZINC000336312365 1123759622 /nfs/dbraw/zinc/75/96/22/1123759622.db2.gz BWGMZOIVXOVSRW-CYBMUJFWSA-N 0 1 292.379 3.512 20 0 CHADMN Cc1ncsc1CN[C@@H]1CCCOc2ccc(F)cc21 ZINC000336311976 1123759770 /nfs/dbraw/zinc/75/97/70/1123759770.db2.gz LYNNBSOKVFDCBE-CYBMUJFWSA-N 0 1 292.379 3.594 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](C(F)(F)F)[C@@H]2C)nc1 ZINC000336327297 1123761391 /nfs/dbraw/zinc/76/13/91/1123761391.db2.gz UXDJAHADMRUCDI-WCQYABFASA-N 0 1 272.314 3.553 20 0 CHADMN CCc1nnc([C@H](C)N2CCC[C@]3(CC=CCC3)C2)o1 ZINC000336333563 1123762441 /nfs/dbraw/zinc/76/24/41/1123762441.db2.gz NDHJFSDAPMRPIU-XJKSGUPXSA-N 0 1 275.396 3.515 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC(n3c(C)ccc3C)CC2)o1 ZINC000336352404 1123764284 /nfs/dbraw/zinc/76/42/84/1123764284.db2.gz RSLUBSIVFZTPTN-OAHLLOKOSA-N 0 1 287.407 3.799 20 0 CHADMN Fc1cccc(Cl)c1CN[C@H]1CC12CCCC2 ZINC000395627139 1123765696 /nfs/dbraw/zinc/76/56/96/1123765696.db2.gz AFCPYJUDUIXIDS-ZDUSSCGKSA-N 0 1 253.748 3.901 20 0 CHADMN Cc1ccc(CNc2nccn2Cc2ccccc2)cc1 ZINC000508468265 1123771355 /nfs/dbraw/zinc/77/13/55/1123771355.db2.gz SUHUVAVEXIRSBK-UHFFFAOYSA-N 0 1 277.371 3.852 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3ccc(F)cc32)nc1C ZINC000334720081 1123772044 /nfs/dbraw/zinc/77/20/44/1123772044.db2.gz YOIBUXCDYAFGEO-KRWDZBQOSA-N 0 1 270.351 3.615 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1nc2ccccc2n1C(F)F ZINC000444221655 1123772912 /nfs/dbraw/zinc/77/29/12/1123772912.db2.gz DOWKRAPNPZHGSI-WDEREUQCSA-N 0 1 279.334 3.662 20 0 CHADMN CCC[C@@H](C)N(C)CC(=O)c1cc(C)n(C2CC2)c1C ZINC000444250626 1123776475 /nfs/dbraw/zinc/77/64/75/1123776475.db2.gz RRCNVOPQLIBKPN-GFCCVEGCSA-N 0 1 276.424 3.743 20 0 CHADMN Cc1cc(C(=O)CN(C)[C@H](C)C2(C)CC2)c(C)n1C1CC1 ZINC000444282457 1123777979 /nfs/dbraw/zinc/77/79/79/1123777979.db2.gz OCWBIFQHIXWLEX-CQSZACIVSA-N 0 1 288.435 3.743 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1ccncn1 ZINC000395829675 1123779321 /nfs/dbraw/zinc/77/93/21/1123779321.db2.gz UJKIRMMJMBPSGV-WDEREUQCSA-N 0 1 261.756 3.542 20 0 CHADMN C[C@@H]1C[C@H](NCc2csc(C(F)(F)F)n2)CCS1 ZINC000896953136 1123792624 /nfs/dbraw/zinc/79/26/24/1123792624.db2.gz VOKAEKSXZVVTEO-HTQZYQBOSA-N 0 1 296.383 3.536 20 0 CHADMN Cc1c(F)nccc1CN(C)[C@H](C)c1cccs1 ZINC000862223708 1123793222 /nfs/dbraw/zinc/79/32/22/1123793222.db2.gz DXFFOSVOESFROX-LLVKDONJSA-N 0 1 264.369 3.784 20 0 CHADMN Cc1c(CN2CCC[C@@H](Nc3ccccc3)C2)ccnc1F ZINC000862249355 1123795575 /nfs/dbraw/zinc/79/55/75/1123795575.db2.gz LYGHXGXCUUGPKO-QGZVFWFLSA-N 0 1 299.393 3.606 20 0 CHADMN CCN(Cc1ccncc1)Cc1ccccc1SC ZINC000358055793 1123798406 /nfs/dbraw/zinc/79/84/06/1123798406.db2.gz BIJZXEZLXNYLAE-UHFFFAOYSA-N 0 1 272.417 3.826 20 0 CHADMN CCOc1ccccc1[C@@H](CC)NCc1ccccn1 ZINC000101599428 1123800750 /nfs/dbraw/zinc/80/07/50/1123800750.db2.gz FSAFRHXMDXNJRZ-MRXNPFEDSA-N 0 1 270.376 3.721 20 0 CHADMN Cc1c(CN[C@@H]2C[C@@H](C)Oc3ccccc32)ccnc1F ZINC000862384644 1123806318 /nfs/dbraw/zinc/80/63/18/1123806318.db2.gz FTAYNZAURQOLGZ-IAQYHMDHSA-N 0 1 286.350 3.531 20 0 CHADMN CCO[C@H]1CCN(Cc2cc3ccnc(Cl)c3s2)C1 ZINC000897062797 1123807633 /nfs/dbraw/zinc/80/76/33/1123807633.db2.gz ZKNSMRRGLOLVJP-NSHDSACASA-N 0 1 296.823 3.561 20 0 CHADMN COc1ccc(CNc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000082739912 1129146849 /nfs/dbraw/zinc/14/68/49/1129146849.db2.gz PVFAMWLJVQQAAN-UHFFFAOYSA-N 0 1 287.750 3.837 20 0 CHADMN CC[C@@H](C)c1cccc(NC(=O)C2(N(C)C)CCC2)c1 ZINC000862487989 1123815036 /nfs/dbraw/zinc/81/50/36/1123815036.db2.gz YHUUSAFPWQDLRJ-CYBMUJFWSA-N 0 1 274.408 3.623 20 0 CHADMN CCCc1cc(C(=O)N([C@@H](C)c2ccccc2)C2CC2)n[nH]1 ZINC000621229612 1129147465 /nfs/dbraw/zinc/14/74/65/1129147465.db2.gz ULXCECOOOJSKRI-ZDUSSCGKSA-N 0 1 297.402 3.728 20 0 CHADMN CC(C)[C@H](C)N(C)Cc1sccc1Br ZINC000043560096 1123824323 /nfs/dbraw/zinc/82/43/23/1123824323.db2.gz ODFDSXYBGJEFMC-VIFPVBQESA-N 0 1 276.243 3.987 20 0 CHADMN C[C@@H](OC(=O)C1CC=CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000119179687 1123835343 /nfs/dbraw/zinc/83/53/43/1123835343.db2.gz BRIAMSXEAHPOCX-SECBINFHSA-N 0 1 290.750 3.787 20 0 CHADMN O=C(CN1CCC[C@@H]2CCC[C@@H]21)Nc1ccc(Cl)cc1 ZINC000475357281 1123848861 /nfs/dbraw/zinc/84/88/61/1123848861.db2.gz QHMPXLCDBKRBLP-WFASDCNBSA-N 0 1 292.810 3.543 20 0 CHADMN C[C@@H](N(C)CN1C[C@H](c2ccccc2)OC1=O)C(C)(C)C ZINC000863256341 1123856524 /nfs/dbraw/zinc/85/65/24/1123856524.db2.gz PNJLXXQFUORDBE-UKRRQHHQSA-N 0 1 290.407 3.504 20 0 CHADMN C/C=C/C[C@@H]1CCCN(CN2C(=O)C[C@@H]2c2ccccc2)C1 ZINC000863341967 1123862623 /nfs/dbraw/zinc/86/26/23/1123862623.db2.gz WMQOHYLBXJECPA-OTUKTJHOSA-N 0 1 298.430 3.596 20 0 CHADMN CCCCN(CCCC)C(=O)c1[nH]nc2ccccc21 ZINC000031461534 1123863992 /nfs/dbraw/zinc/86/39/92/1123863992.db2.gz JUZOUGWIJJGAJS-UHFFFAOYSA-N 0 1 273.380 3.605 20 0 CHADMN Cc1cccc(CSc2nc(-c3ccccc3O)n[nH]2)c1 ZINC000193044990 1123870512 /nfs/dbraw/zinc/87/05/12/1123870512.db2.gz FZYDRJVOKPEOMT-UHFFFAOYSA-N 0 1 297.383 3.778 20 0 CHADMN CS/C=C/C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000083599962 1129150831 /nfs/dbraw/zinc/15/08/31/1129150831.db2.gz VSIBMCMJVXYLKZ-SOFGYWHQSA-N 0 1 299.355 3.638 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnc(C)cn1)c1cccs1 ZINC000428342311 1123874002 /nfs/dbraw/zinc/87/40/02/1123874002.db2.gz ADKSAIMKVFQYGM-VXGBXAGGSA-N 0 1 261.394 3.648 20 0 CHADMN Cc1cccnc1[C@@H](N[C@@H](C)c1cncnc1C)C(C)C ZINC000655716845 1123877955 /nfs/dbraw/zinc/87/79/55/1123877955.db2.gz YPCVEFIQNXTJOI-HOCLYGCPSA-N 0 1 284.407 3.536 20 0 CHADMN CSc1ccc(/C=C/c2nc([C@@H](N)C(C)C)no2)s1 ZINC000863657605 1123885120 /nfs/dbraw/zinc/88/51/20/1123885120.db2.gz VSOOQNFAAVUNDE-FUEXJSSKSA-N 0 1 295.433 3.679 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H]2CC[C@H]2c2ccc(F)cc2)n1 ZINC000863658156 1123885335 /nfs/dbraw/zinc/88/53/35/1123885335.db2.gz ZBFHAJYWBYTCMM-MJBXVCDLSA-N 0 1 289.354 3.526 20 0 CHADMN CC[C@H](C)[C@](C)(O)CNc1ccnc2cc(F)ccc21 ZINC000301256897 1123885578 /nfs/dbraw/zinc/88/55/78/1123885578.db2.gz KOHKIJQYNGNHGV-MEDUHNTESA-N 0 1 276.355 3.583 20 0 CHADMN COc1ccc(CNc2ccnc3cc(F)ccc32)cc1 ZINC000301278331 1123887206 /nfs/dbraw/zinc/88/72/06/1123887206.db2.gz PHXYIFHVXNICFZ-UHFFFAOYSA-N 0 1 282.318 3.995 20 0 CHADMN CCN[C@H](C)c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000863672925 1123888337 /nfs/dbraw/zinc/88/83/37/1123888337.db2.gz PHTOUCKYNNMOFG-LLVKDONJSA-N 0 1 273.380 3.705 20 0 CHADMN CN(CCCCc1cccc(Cl)c1)Cc1cc[nH]n1 ZINC000621257100 1129151859 /nfs/dbraw/zinc/15/18/59/1129151859.db2.gz HFSWDLWAJFHLMV-UHFFFAOYSA-N 0 1 277.799 3.518 20 0 CHADMN CC1(C)[C@H](Nc2ccnc3cc(F)ccc32)[C@@H]2CCO[C@@H]21 ZINC000301324801 1123890816 /nfs/dbraw/zinc/89/08/16/1123890816.db2.gz AFPLESUYNRVCRO-MAZHCROVSA-N 0 1 286.350 3.599 20 0 CHADMN CO[C@@H](CNc1ccnc2cc(F)ccc21)C(C)(C)C ZINC000301441921 1123900561 /nfs/dbraw/zinc/90/05/61/1123900561.db2.gz WHXYERPXAGWIGV-HNNXBMFYSA-N 0 1 276.355 3.847 20 0 CHADMN Cc1cnc([C@@H](Nc2nc(C(C)C)no2)C2CC2)s1 ZINC000301519829 1123908405 /nfs/dbraw/zinc/90/84/05/1123908405.db2.gz HJXNSGNIZHTMOT-JTQLQIEISA-N 0 1 278.381 3.521 20 0 CHADMN C[C@]1(CCNc2ccncc2C(F)(F)F)C[C@]1(F)Cl ZINC000864091810 1123916551 /nfs/dbraw/zinc/91/65/51/1123916551.db2.gz RGZFNIJYPREKOG-WDEREUQCSA-N 0 1 296.695 3.639 20 0 CHADMN Cc1ccnc(NC[C@@H](C)c2ccc(F)cc2F)c1 ZINC000301651693 1123920545 /nfs/dbraw/zinc/92/05/45/1123920545.db2.gz QJKSQTWTPCELNG-LLVKDONJSA-N 0 1 262.303 3.884 20 0 CHADMN Cc1cc(NCCOCC2CC2)c2cc(F)ccc2n1 ZINC000301651780 1123921653 /nfs/dbraw/zinc/92/16/53/1123921653.db2.gz GMNIXFYCKRLGIL-UHFFFAOYSA-N 0 1 274.339 3.521 20 0 CHADMN CC=C(C=CC(=O)Nc1cc(C(=O)CC)ccc1O)CC ZINC000794608341 1123922475 /nfs/dbraw/zinc/92/24/75/1123922475.db2.gz HZAZJLZIXFBEGQ-SLKLWNSISA-N 0 1 287.359 3.836 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C=Cc2ccccc2)c1 ZINC000794624414 1123923495 /nfs/dbraw/zinc/92/34/95/1123923495.db2.gz PWOUFYTVBKDNHI-FLIBITNWSA-N 0 1 295.338 3.637 20 0 CHADMN Cc1cc(N[C@@H]2CCCSC2)c2cc(F)ccc2n1 ZINC000301682297 1123923628 /nfs/dbraw/zinc/92/36/28/1123923628.db2.gz SIEYXPKOLYMSKQ-GFCCVEGCSA-N 0 1 276.380 3.990 20 0 CHADMN C[C@H](OC(=O)C1(C)CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000120102888 1123934521 /nfs/dbraw/zinc/93/45/21/1123934521.db2.gz IVXDVFPAXLTHOD-QMMMGPOBSA-N 0 1 278.739 3.621 20 0 CHADMN S=c1oc2cc(Cl)ccc2n1CN1CCCC1 ZINC000015250148 1123940978 /nfs/dbraw/zinc/94/09/78/1123940978.db2.gz QSKVGYXVKINZCB-UHFFFAOYSA-N 0 1 268.769 3.670 20 0 CHADMN Cc1ccnc(NC[C@H](Nc2ccccc2)C(C)C)c1 ZINC000301994153 1123948801 /nfs/dbraw/zinc/94/88/01/1123948801.db2.gz RRYTZEOSYOQUQS-INIZCTEOSA-N 0 1 269.392 3.939 20 0 CHADMN Cc1ccc([C@H](NCc2cccnc2F)C2CC2)cc1 ZINC000794835663 1123970746 /nfs/dbraw/zinc/97/07/46/1123970746.db2.gz MSVUNMWRPMRKTP-INIZCTEOSA-N 0 1 270.351 3.770 20 0 CHADMN Fc1cccc2cc(CNc3nccn3C3CC3)cnc12 ZINC000865293170 1123970800 /nfs/dbraw/zinc/97/08/00/1123970800.db2.gz CECXAPQJTAOSHO-UHFFFAOYSA-N 0 1 282.322 3.517 20 0 CHADMN Fc1ccc([C@H](NCc2cccnc2F)C2CC2)cc1 ZINC000794836254 1123972369 /nfs/dbraw/zinc/97/23/69/1123972369.db2.gz OQSSTUWAAVKBCY-OAHLLOKOSA-N 0 1 274.314 3.601 20 0 CHADMN CO[C@@H](C)[C@H](C)Nc1cc(C)nc2ccc(F)cc21 ZINC000302616033 1123974766 /nfs/dbraw/zinc/97/47/66/1123974766.db2.gz CXRMNUUPLFWKOK-QWRGUYRKSA-N 0 1 262.328 3.518 20 0 CHADMN CCOC[C@H](Nc1ccnc2cc(F)ccc21)C(C)C ZINC000302635766 1123975591 /nfs/dbraw/zinc/97/55/91/1123975591.db2.gz CYPNYCBSYWYNMN-INIZCTEOSA-N 0 1 276.355 3.847 20 0 CHADMN CN(Cc1ccc(O)cc1)c1ccnc2cc(F)ccc21 ZINC000302682262 1123977146 /nfs/dbraw/zinc/97/71/46/1123977146.db2.gz XGNLBENLRXSNFV-UHFFFAOYSA-N 0 1 282.318 3.716 20 0 CHADMN FC(F)(F)c1cnccc1N1CCC[C@H](C(F)(F)F)C1 ZINC000865406215 1123980729 /nfs/dbraw/zinc/98/07/29/1123980729.db2.gz MKFDHKOMVHJIGD-QMMMGPOBSA-N 0 1 298.230 3.879 20 0 CHADMN C[C@H](NCc1cn(C2CC2)cn1)c1ccc2c(c1)CCCC2 ZINC000865404465 1123980768 /nfs/dbraw/zinc/98/07/68/1123980768.db2.gz LXZJDFHUFBEGCM-AWEZNQCLSA-N 0 1 295.430 3.948 20 0 CHADMN COc1ccc([C@@H](NCc2cn(C3CC3)cn2)C(C)C)cc1 ZINC000865405717 1123981030 /nfs/dbraw/zinc/98/10/30/1123981030.db2.gz SVXKJHXRYQXJOI-SFHVURJKSA-N 0 1 299.418 3.714 20 0 CHADMN Cc1cc(C)c(CNCc2cc3c(cc[nH]c3=O)o2)c(C)c1 ZINC000865436548 1123983935 /nfs/dbraw/zinc/98/39/35/1123983935.db2.gz IZBRONQDHIHXBK-UHFFFAOYSA-N 0 1 296.370 3.748 20 0 CHADMN Cc1cc(C)c([C@@H](C)NCc2cccnc2F)cc1C ZINC000794836924 1123983950 /nfs/dbraw/zinc/98/39/50/1123983950.db2.gz SGNHDHREZRRSKZ-CQSZACIVSA-N 0 1 272.367 3.997 20 0 CHADMN Cc1ccsc1CNCc1cnc(Cl)c(F)c1 ZINC000865432078 1123984396 /nfs/dbraw/zinc/98/43/96/1123984396.db2.gz ONWICDHXTQILGO-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cncc(Cl)c2)c1 ZINC000621286263 1129158819 /nfs/dbraw/zinc/15/88/19/1129158819.db2.gz DMBZZUZOZHRKEQ-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Fc1ccc(C2(NCc3cn(C4CC4)cn3)CCCC2)cc1 ZINC000865442789 1123985184 /nfs/dbraw/zinc/98/51/84/1123985184.db2.gz TXSGRDHKLQVUAC-UHFFFAOYSA-N 0 1 299.393 3.916 20 0 CHADMN Fc1ccc([C@@H](NCc2cn(C3CC3)cn2)C2CCC2)cc1 ZINC000865448239 1123985409 /nfs/dbraw/zinc/98/54/09/1123985409.db2.gz BXHAHVPIPGMCAY-SFHVURJKSA-N 0 1 299.393 3.988 20 0 CHADMN CCn1cc(CNCc2cccc(CC3CCC3)c2)cn1 ZINC000865468121 1123986907 /nfs/dbraw/zinc/98/69/07/1123986907.db2.gz BQNDHFSJMWRAGZ-UHFFFAOYSA-N 0 1 283.419 3.535 20 0 CHADMN Cc1cccc([C@H](C)NCc2cn(C3CC3)cn2)c1C ZINC000865465705 1123987324 /nfs/dbraw/zinc/98/73/24/1123987324.db2.gz HUMLUAYHOAPEON-AWEZNQCLSA-N 0 1 269.392 3.686 20 0 CHADMN CSC(C)(C)CNCc1c(Cl)cncc1Cl ZINC000865479309 1123988349 /nfs/dbraw/zinc/98/83/49/1123988349.db2.gz GHJUCOUOSRBFKT-UHFFFAOYSA-N 0 1 279.236 3.620 20 0 CHADMN CO[C@@H](CNCc1c(Cl)cncc1Cl)C(C)(C)C ZINC000865479452 1123988831 /nfs/dbraw/zinc/98/88/31/1123988831.db2.gz JLDWNHUXSKKQTC-LBPRGKRZSA-N 0 1 291.222 3.539 20 0 CHADMN CC(C)(C)c1cnc(CNc2nccn2C2CC2)s1 ZINC000840887463 1123998673 /nfs/dbraw/zinc/99/86/73/1123998673.db2.gz XKWUZOOEMXNZNM-UHFFFAOYSA-N 0 1 276.409 3.584 20 0 CHADMN CCCOc1ccc(CNc2nccn2C2CC2)cc1 ZINC000840887675 1123999443 /nfs/dbraw/zinc/99/94/43/1123999443.db2.gz SWHXKJSYYKPXSY-UHFFFAOYSA-N 0 1 271.364 3.619 20 0 CHADMN CC[C@@](C)(NCc1cn(C2CC2)cn1)c1ccc(F)cc1 ZINC000865660129 1124003129 /nfs/dbraw/zinc/00/31/29/1124003129.db2.gz JBUFLFFLKFDGGG-QGZVFWFLSA-N 0 1 287.382 3.772 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)N3CC[C@H](C)C3)n2)ccc1F ZINC000261386022 1124003476 /nfs/dbraw/zinc/00/34/76/1124003476.db2.gz KAJSVUPBLUCQEA-CMPLNLGQSA-N 0 1 289.354 3.587 20 0 CHADMN CO[C@]1(C)CCCN(Cc2ccc(Cl)cc2F)CC1 ZINC000475546609 1124007933 /nfs/dbraw/zinc/00/79/33/1124007933.db2.gz HAJVUSNRUSSEPY-OAHLLOKOSA-N 0 1 285.790 3.870 20 0 CHADMN CCC(CC)(CNCc1ncc(C)s1)C(F)(F)F ZINC000865756463 1124010869 /nfs/dbraw/zinc/01/08/69/1124010869.db2.gz ORCUEMPBXICUSV-UHFFFAOYSA-N 0 1 280.359 3.910 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1noc2c1CCCC2)C1CC1 ZINC000108917962 1124017206 /nfs/dbraw/zinc/01/72/06/1124017206.db2.gz MEFZXRKHFOPMFQ-OLZOCXBDSA-N 0 1 276.424 3.952 20 0 CHADMN C[C@H](NCc1cncc(Cl)c1)c1ccsc1 ZINC000621291527 1129161255 /nfs/dbraw/zinc/16/12/55/1129161255.db2.gz VVTAECGLWJEEFF-VIFPVBQESA-N 0 1 252.770 3.647 20 0 CHADMN CCCCCc1cc(C(=O)N(C)C2CCCCC2)n[nH]1 ZINC000665853420 1124029731 /nfs/dbraw/zinc/02/97/31/1124029731.db2.gz JFSJAEVUBUGAAM-UHFFFAOYSA-N 0 1 277.412 3.547 20 0 CHADMN CC(C)Oc1ccc(CN[C@H](c2ccccn2)C(C)C)cn1 ZINC000866235643 1124039878 /nfs/dbraw/zinc/03/98/78/1124039878.db2.gz IKBPKLSIEHOQBB-SFHVURJKSA-N 0 1 299.418 3.751 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2cccc(C)c2C)nn1C ZINC000282017300 1124039894 /nfs/dbraw/zinc/03/98/94/1124039894.db2.gz DULNWLMSXWYWRG-HUUCEWRRSA-N 0 1 271.408 3.757 20 0 CHADMN CC(C)c1nc(CN[C@@H](C)c2ccc(C(C)C)cc2)n[nH]1 ZINC000428371163 1124045120 /nfs/dbraw/zinc/04/51/20/1124045120.db2.gz VHABVDUXXFZBPE-ZDUSSCGKSA-N 0 1 286.423 3.902 20 0 CHADMN c1cc(-c2ccc(CN3C[C@H]4CC[C@@H](C3)O4)cc2)cs1 ZINC000444637188 1124046124 /nfs/dbraw/zinc/04/61/24/1124046124.db2.gz IDGVQBSNYQOIGT-CALCHBBNSA-N 0 1 285.412 3.778 20 0 CHADMN Cc1cc(CN[C@H]2CCc3cccc4cccc2c43)ncn1 ZINC000866308944 1124050347 /nfs/dbraw/zinc/05/03/47/1124050347.db2.gz ABOJFYCKHSVOGI-SFHVURJKSA-N 0 1 289.382 3.715 20 0 CHADMN CC(C)[C@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccccn1 ZINC000866311783 1124050842 /nfs/dbraw/zinc/05/08/42/1124050842.db2.gz KFXDRUMXWUAWGH-MOPGFXCFSA-N 0 1 295.430 3.555 20 0 CHADMN CN(C)Cc1ccc(N[C@H]2CCCc3ncccc32)cc1F ZINC000866333113 1124053910 /nfs/dbraw/zinc/05/39/10/1124053910.db2.gz IQHYGJYSLYZOQP-SFHVURJKSA-N 0 1 299.393 3.772 20 0 CHADMN CCc1noc(C)c1CN[C@H]1CCCc2c(F)cccc21 ZINC000866364619 1124057661 /nfs/dbraw/zinc/05/76/61/1124057661.db2.gz SQZUOLVBNOMXGL-KRWDZBQOSA-N 0 1 288.366 3.852 20 0 CHADMN CC(C)N(Cc1ncc(Cl)s1)CC1CCC1 ZINC000444771149 1124062192 /nfs/dbraw/zinc/06/21/92/1124062192.db2.gz HFWZLLAUVYVBCM-UHFFFAOYSA-N 0 1 258.818 3.807 20 0 CHADMN CC(C)(F)CN[C@@H]1CCSc2c(F)cccc21 ZINC000866409400 1124064599 /nfs/dbraw/zinc/06/45/99/1124064599.db2.gz YYKOPNOOCCLNME-LLVKDONJSA-N 0 1 257.349 3.700 20 0 CHADMN Cc1nccnc1CN[C@H](C)c1cc2ccccc2s1 ZINC000621334384 1129164034 /nfs/dbraw/zinc/16/40/34/1129164034.db2.gz DIDFMFUYCAZELI-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1occc1CN(C)CCSc1ccc(F)cc1 ZINC000195616906 1124066580 /nfs/dbraw/zinc/06/65/80/1124066580.db2.gz KIPAXZVNEODWKU-UHFFFAOYSA-N 0 1 279.380 3.951 20 0 CHADMN Cc1ccccc1[C@H](NCc1nccnc1C)C(C)C ZINC000621335309 1129164090 /nfs/dbraw/zinc/16/40/90/1129164090.db2.gz IXJLJZAJAFDAJU-QGZVFWFLSA-N 0 1 269.392 3.580 20 0 CHADMN CC(C)c1nc([C@@H](C)N[C@@H]2CC(C)(C)CC[C@H]2O)cs1 ZINC000866453298 1124067877 /nfs/dbraw/zinc/06/78/77/1124067877.db2.gz UUSUNQMZYZMIEG-YRGRVCCFSA-N 0 1 296.480 3.857 20 0 CHADMN C[C@H]1C[C@@H](NCc2ccnc(F)c2)c2ccsc2S1 ZINC000866472947 1124068858 /nfs/dbraw/zinc/06/88/58/1124068858.db2.gz HNTPJBCGMRXYKR-JOYOIKCWSA-N 0 1 294.420 3.997 20 0 CHADMN Cc1cccc(C2(NCc3nccnc3C)CCCC2)c1 ZINC000621333544 1129164332 /nfs/dbraw/zinc/16/43/32/1129164332.db2.gz HYBZJIIVARUNEH-UHFFFAOYSA-N 0 1 281.403 3.653 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2ccc(Cl)cc2)nc1 ZINC000088484495 1124074485 /nfs/dbraw/zinc/07/44/85/1124074485.db2.gz HQOQDRCTYAMTHS-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000445137453 1124074908 /nfs/dbraw/zinc/07/49/08/1124074908.db2.gz QYBCWCRXDKLZSO-UHFFFAOYSA-N 0 1 294.358 3.781 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@H](OCC3CC3)C2)c1 ZINC000428393362 1124076272 /nfs/dbraw/zinc/07/62/72/1124076272.db2.gz XYGZKMRVEITJPQ-INIZCTEOSA-N 0 1 277.383 3.525 20 0 CHADMN Cc1ccccc1C[C@H](C)N(C)Cc1cscn1 ZINC000445228980 1124077650 /nfs/dbraw/zinc/07/76/50/1124077650.db2.gz ZUMZPJMCFHHMJU-ZDUSSCGKSA-N 0 1 260.406 3.515 20 0 CHADMN Cc1cccc([C@H](NCc2nccnc2C)C(C)(C)C)c1 ZINC000621340075 1129165096 /nfs/dbraw/zinc/16/50/96/1129165096.db2.gz VTSDPMFQUNICDD-KRWDZBQOSA-N 0 1 283.419 3.970 20 0 CHADMN C[C@H](N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(F)cn1 ZINC000866607721 1124087011 /nfs/dbraw/zinc/08/70/11/1124087011.db2.gz BIZNFXLBHIFPHU-UFGOTCBOSA-N 0 1 288.288 3.768 20 0 CHADMN COC[C@@H](CC(C)(C)C)NCc1nc2cc(F)ccc2o1 ZINC000634985323 1129168415 /nfs/dbraw/zinc/16/84/15/1129168415.db2.gz QWUUJEAYCAVLPU-GFCCVEGCSA-N 0 1 294.370 3.508 20 0 CHADMN C[C@@H](N[C@H]1CCc2cc(F)c(Cl)cc21)c1ccnn1C ZINC000866614226 1124089453 /nfs/dbraw/zinc/08/94/53/1124089453.db2.gz LTKMLQQFCFUNGK-OTYXRUKQSA-N 0 1 293.773 3.551 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc2cnccc2o1)c1cncs1 ZINC000866619078 1124090202 /nfs/dbraw/zinc/09/02/02/1124090202.db2.gz CSQYDHHJILBSDK-VHSXEESVSA-N 0 1 273.361 3.696 20 0 CHADMN CCc1ccccc1CSc1nc(-c2ccccn2)n[nH]1 ZINC000445600455 1124091905 /nfs/dbraw/zinc/09/19/05/1124091905.db2.gz MAUDQTQTFYZPHM-UHFFFAOYSA-N 0 1 296.399 3.721 20 0 CHADMN CC(C)c1nc([C@@H](C)NCC[C@H](O)C2CCCC2)cs1 ZINC000866639089 1124092596 /nfs/dbraw/zinc/09/25/96/1124092596.db2.gz WHFRHZKLCQDIHJ-DOMZBBRYSA-N 0 1 296.480 3.858 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cnc2ccsc2c1 ZINC000631755102 1124094598 /nfs/dbraw/zinc/09/45/98/1124094598.db2.gz YJKMWVWOEQJJJG-BCMRRPTOSA-N 0 1 286.322 3.898 20 0 CHADMN CC[C@@H](C(=O)NOCc1ccccc1)c1ccc(F)cc1 ZINC000121651599 1124098529 /nfs/dbraw/zinc/09/85/29/1124098529.db2.gz IWEFDALFWINLGK-MRXNPFEDSA-N 0 1 287.334 3.567 20 0 CHADMN C[C@H](N(C)Cc1ccn(-c2ccccc2F)n1)C1(C)CC1 ZINC000445818593 1124103279 /nfs/dbraw/zinc/10/32/79/1124103279.db2.gz LGYRFFFHHZEXFQ-ZDUSSCGKSA-N 0 1 287.382 3.632 20 0 CHADMN CCCCN(Cc1ccn(-c2ccccc2F)n1)C1CC1 ZINC000445798540 1124103433 /nfs/dbraw/zinc/10/34/33/1124103433.db2.gz PWTXYWVRWROOEA-UHFFFAOYSA-N 0 1 287.382 3.776 20 0 CHADMN CCc1nc(C)c(CN2Cc3ccccc3C[C@@H]2CC)o1 ZINC000428419739 1124104226 /nfs/dbraw/zinc/10/42/26/1124104226.db2.gz FNDDXOKSAXPLBX-INIZCTEOSA-N 0 1 284.403 3.882 20 0 CHADMN CC(C)[C@@H](CC(F)(F)F)NCc1nccn1C(C)C ZINC000445881856 1124104907 /nfs/dbraw/zinc/10/49/07/1124104907.db2.gz WNJZTWDYTGPXRE-LLVKDONJSA-N 0 1 277.334 3.531 20 0 CHADMN Cc1nccnc1CN[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000621351103 1129166520 /nfs/dbraw/zinc/16/65/20/1129166520.db2.gz FFFUCZGNVCFCRB-QGZVFWFLSA-N 0 1 295.430 3.978 20 0 CHADMN CC(C)[C@H](CC(F)(F)F)NCc1nc2ccccc2o1 ZINC000445882606 1124105390 /nfs/dbraw/zinc/10/53/90/1124105390.db2.gz BUMJZCARRVCVCF-NSHDSACASA-N 0 1 286.297 3.894 20 0 CHADMN C[C@@H](Cc1ccoc1)N[C@@H](CF)c1ccc(F)cc1 ZINC000631798317 1124107382 /nfs/dbraw/zinc/10/73/82/1124107382.db2.gz QQYZHHLHUCMAND-NHYWBVRUSA-N 0 1 265.303 3.650 20 0 CHADMN C[C@H](c1nc(-c2ccccc2)no1)N(C)CC1CCC1 ZINC000114722217 1124116848 /nfs/dbraw/zinc/11/68/48/1124116848.db2.gz ZHLCPBUUPJGGDG-GFCCVEGCSA-N 0 1 271.364 3.530 20 0 CHADMN Fc1cccc(Cl)c1[C@@H]1C[C@H]1NCc1ccncc1F ZINC000459664030 1124117725 /nfs/dbraw/zinc/11/77/25/1124117725.db2.gz HJIVZCVWTWWDCW-QMTHXVAHSA-N 0 1 294.732 3.659 20 0 CHADMN C[C@@H](NCc1ccc(CO)o1)c1ccccc1C(F)(F)F ZINC000525195094 1124117903 /nfs/dbraw/zinc/11/79/03/1124117903.db2.gz OGVNCLAKUWQOKM-SNVBAGLBSA-N 0 1 299.292 3.642 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@@H]1COCc2ccccc21 ZINC000428451094 1124119598 /nfs/dbraw/zinc/11/95/98/1124119598.db2.gz YBQJDPAJXYTGPM-QZTJIDSGSA-N 0 1 295.382 3.544 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1CC[C@@H](C(C)C)C1 ZINC000446715749 1124119960 /nfs/dbraw/zinc/11/99/60/1124119960.db2.gz FDRUDLWCLVYHQC-CYBMUJFWSA-N 0 1 294.826 3.565 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H](c1cccs1)C1CC1 ZINC000446747412 1124120776 /nfs/dbraw/zinc/12/07/76/1124120776.db2.gz DGGPZNZSVCYZDU-IAQYHMDHSA-N 0 1 273.405 3.648 20 0 CHADMN COC[C@H](NCc1cccc2ncccc12)c1ccc(C)o1 ZINC000634966567 1129167456 /nfs/dbraw/zinc/16/74/56/1129167456.db2.gz RDFIULBPTUYTDS-KRWDZBQOSA-N 0 1 296.370 3.614 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C)C2CCC(C)(C)CC2)c1 ZINC000446781023 1124123097 /nfs/dbraw/zinc/12/30/97/1124123097.db2.gz QUWFGVFYSAYTCC-UHFFFAOYSA-N 0 1 299.418 3.912 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(-n2cccn2)c1)c1ccns1 ZINC000925188819 1124127917 /nfs/dbraw/zinc/12/79/17/1124127917.db2.gz NDDHVAAXLAZKIN-QWHCGFSZSA-N 0 1 298.415 3.741 20 0 CHADMN CCN(Cc1ccc(Cl)s1)Cc1n[nH]c(C(C)C)n1 ZINC000428459887 1124128920 /nfs/dbraw/zinc/12/89/20/1124128920.db2.gz KESLMYCEEQZLME-UHFFFAOYSA-N 0 1 298.843 3.665 20 0 CHADMN C[C@@H]1CCC[C@H](CSCc2n[nH]c(C3CC3)n2)C1 ZINC000447026942 1124130223 /nfs/dbraw/zinc/13/02/23/1124130223.db2.gz BSSCUDLXLXBCKG-MNOVXSKESA-N 0 1 265.426 3.742 20 0 CHADMN FC(F)(F)CCCCSCc1n[nH]c(C2CC2)n1 ZINC000447031371 1124130473 /nfs/dbraw/zinc/13/04/73/1124130473.db2.gz YNUFGODINLLPBE-UHFFFAOYSA-N 0 1 279.331 3.648 20 0 CHADMN CC(C)CCCN(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447062626 1124131491 /nfs/dbraw/zinc/13/14/91/1124131491.db2.gz CBYXNQJMKJYPHP-UHFFFAOYSA-N 0 1 251.418 3.575 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cc4sccc4[nH]3)cc2[nH]1 ZINC000429709668 1124134515 /nfs/dbraw/zinc/13/45/15/1124134515.db2.gz RJQIGXALAOQRFK-UHFFFAOYSA-N 0 1 296.355 3.666 20 0 CHADMN CC(C)(CNCc1nc2cc(F)ccc2o1)C(F)(F)F ZINC000634979431 1129168857 /nfs/dbraw/zinc/16/88/57/1129168857.db2.gz DGTHSVIXPLHLPI-UHFFFAOYSA-N 0 1 290.260 3.645 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1cccc(-c2ccccc2)c1)C(=O)[O-] ZINC000414656428 1129172121 /nfs/dbraw/zinc/17/21/21/1129172121.db2.gz MULSUEGEKWAAAV-AWEZNQCLSA-N 0 1 283.371 3.506 20 0 CHADMN C[C@H]1c2ccccc2C[N@@H+]1CCOCc1ccccc1 ZINC000621400479 1129172650 /nfs/dbraw/zinc/17/26/50/1129172650.db2.gz JEGYBEZBORYQLD-HNNXBMFYSA-N 0 1 267.372 3.780 20 0 CHADMN C[C@H]1c2ccccc2CN1CCOCc1ccccc1 ZINC000621400479 1129172653 /nfs/dbraw/zinc/17/26/53/1129172653.db2.gz JEGYBEZBORYQLD-HNNXBMFYSA-N 0 1 267.372 3.780 20 0 CHADMN COc1ccc(COCC[N@H+]2Cc3ccccc3[C@@H]2C)cc1 ZINC000621397983 1129173106 /nfs/dbraw/zinc/17/31/06/1129173106.db2.gz BPECAMWAHHAPBR-HNNXBMFYSA-N 0 1 297.398 3.789 20 0 CHADMN COc1ccc(COCCN2Cc3ccccc3[C@@H]2C)cc1 ZINC000621397983 1129173109 /nfs/dbraw/zinc/17/31/09/1129173109.db2.gz BPECAMWAHHAPBR-HNNXBMFYSA-N 0 1 297.398 3.789 20 0 CHADMN O=c1cc(C2CCC2)[nH]n1-c1c(F)cccc1Cl ZINC001245923248 1131246562 /nfs/dbraw/zinc/24/65/62/1131246562.db2.gz NLZAVFZVGKGOFN-UHFFFAOYSA-N 0 1 266.703 3.638 20 0 CHADMN COc1cc(F)c(CN2C[C@@H]3[C@H](C2)C3(C)C)cc1Cl ZINC001238794077 1131248768 /nfs/dbraw/zinc/24/87/68/1131248768.db2.gz OOPHQTNFHHRTFI-PHIMTYICSA-N 0 1 283.774 3.576 20 0 CHADMN Cc1cn[nH]c1CS[C@@H](C)c1nccn1-c1ccccc1 ZINC001119538810 1131257721 /nfs/dbraw/zinc/25/77/21/1131257721.db2.gz DECGTDSZPPLDKG-ZDUSSCGKSA-N 0 1 298.415 3.898 20 0 CHADMN C[N@@H+](Cc1cccc(OC(C)(C)C)c1)C(C)(C)CC(=O)[O-] ZINC001119602155 1131259204 /nfs/dbraw/zinc/25/92/04/1131259204.db2.gz KDKVZYQBMBNELJ-UHFFFAOYSA-N 0 1 293.407 3.549 20 0 CHADMN Cc1cc([C@H](C)NCc2cnc3onc(C)c3c2)c(C)o1 ZINC001119605035 1131260110 /nfs/dbraw/zinc/26/01/10/1131260110.db2.gz LGEDFUZWFVEOIB-JTQLQIEISA-N 0 1 285.347 3.592 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2cc(C)ncn2)cc1 ZINC000428473590 1124454550 /nfs/dbraw/zinc/45/45/50/1124454550.db2.gz NAIWDEHPLSWDPE-GOSISDBHSA-N 0 1 297.402 3.521 20 0 CHADMN CC[C@@]1(C)CN(C[C@H](OC(C)C)c2ccccc2)CCO1 ZINC000428477767 1124459351 /nfs/dbraw/zinc/45/93/51/1124459351.db2.gz FCKAODZERSZVQY-ROUUACIJSA-N 0 1 291.435 3.654 20 0 CHADMN C[C@H](N[C@@H]1CO[C@@H](C)[C@H]1C)c1nc(C(C)(C)C)cs1 ZINC001119690051 1131261778 /nfs/dbraw/zinc/26/17/78/1131261778.db2.gz WKGNUWDUDJZRSJ-NOOOWODRSA-N 0 1 282.453 3.515 20 0 CHADMN CCOCCNC1(c2c(Cl)cccc2Cl)CCC1 ZINC000447379583 1124468533 /nfs/dbraw/zinc/46/85/33/1124468533.db2.gz BQSFQUYQILPPTI-UHFFFAOYSA-N 0 1 288.218 3.999 20 0 CHADMN CCc1ccccc1CN1CCn2cccc2[C@@H]1C ZINC000525833551 1124469647 /nfs/dbraw/zinc/46/96/47/1124469647.db2.gz QODSVVCKTHWZAY-AWEZNQCLSA-N 0 1 254.377 3.627 20 0 CHADMN COCc1ccc(CN2Cc3ccccc3OC[C@@H]2C)cc1 ZINC000339082090 1124481511 /nfs/dbraw/zinc/48/15/11/1124481511.db2.gz QANKEXKVHWAMFM-HNNXBMFYSA-N 0 1 297.398 3.616 20 0 CHADMN Cc1ccc(OC2CCN(CC3(F)CC3)CC2)cc1C ZINC000525976971 1124483327 /nfs/dbraw/zinc/48/33/27/1124483327.db2.gz QUXHJKBFSSJZFC-UHFFFAOYSA-N 0 1 277.383 3.649 20 0 CHADMN Cc1ccc(N[C@H](C)CSC(C)(C)C)c(N(C)C)n1 ZINC000777275910 1124485487 /nfs/dbraw/zinc/48/54/87/1124485487.db2.gz PEHQYTIBPADOHP-GFCCVEGCSA-N 0 1 281.469 3.788 20 0 CHADMN Cc1ccncc1CN(C)Cc1ccnc2ccccc12 ZINC000526007384 1124491919 /nfs/dbraw/zinc/49/19/19/1124491919.db2.gz SSEYHLBYRIKQKH-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1ccc(NC(C)=O)cc1 ZINC000017314195 1124494049 /nfs/dbraw/zinc/49/40/49/1124494049.db2.gz ACIXKEHCJPLKNG-CYBMUJFWSA-N 0 1 298.386 3.504 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CCC(c2ccncc2)CC1 ZINC001119769521 1131264196 /nfs/dbraw/zinc/26/41/96/1131264196.db2.gz VSPZWAKCZPMOLY-ZDUSSCGKSA-N 0 1 285.366 3.556 20 0 CHADMN c1sc2ccccc2c1-c1ccc2[nH]nnc2c1 ZINC001238887041 1131265889 /nfs/dbraw/zinc/26/58/89/1131265889.db2.gz JVBCGPUSSSHIRC-UHFFFAOYSA-N 0 1 251.314 3.840 20 0 CHADMN c1sc2ccccc2c1-c1ccc2nn[nH]c2c1 ZINC001238887041 1131265894 /nfs/dbraw/zinc/26/58/94/1131265894.db2.gz JVBCGPUSSSHIRC-UHFFFAOYSA-N 0 1 251.314 3.840 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H](C)c2cc3ccccc3s2)c1C ZINC000526951893 1124528538 /nfs/dbraw/zinc/52/85/38/1124528538.db2.gz GHZZGCGGBBTEQC-LLVKDONJSA-N 0 1 299.399 3.732 20 0 CHADMN c1sc2ccccc2c1-c1cc(N2CCOCC2)ccn1 ZINC001238888637 1131266218 /nfs/dbraw/zinc/26/62/18/1131266218.db2.gz YZXGCTRCLLRLNE-UHFFFAOYSA-N 0 1 296.395 3.800 20 0 CHADMN COCCN(CC[C@H]1CCC[C@H](C)C1)Cc1cncs1 ZINC000447847198 1124531175 /nfs/dbraw/zinc/53/11/75/1124531175.db2.gz YNRYIUNJSLHQMN-LSDHHAIUSA-N 0 1 296.480 3.808 20 0 CHADMN CCN(Cc1ccccn1)Cc1cc(C)nc2c1CCCC2 ZINC001119937266 1131266642 /nfs/dbraw/zinc/26/66/42/1131266642.db2.gz SFTILFZBHVDWRM-UHFFFAOYSA-N 0 1 295.430 3.686 20 0 CHADMN C[C@H]1CSCCN1C/C=C/c1ccc(Cl)cc1 ZINC000527049159 1124547458 /nfs/dbraw/zinc/54/74/58/1124547458.db2.gz VBAQPAGSWDFNTA-JDGPPOGSSA-N 0 1 267.825 3.791 20 0 CHADMN CC(C)[C@H](C)N(C)Cc1ncc(C(C)(C)C)s1 ZINC000448225686 1124574691 /nfs/dbraw/zinc/57/46/91/1124574691.db2.gz WVNOFFKTOVZFQQ-NSHDSACASA-N 0 1 254.443 3.917 20 0 CHADMN CC(C)n1ccnc1CN1CC[C@@H](CC(C)(C)C)C1 ZINC000448555885 1124586238 /nfs/dbraw/zinc/58/62/38/1124586238.db2.gz VULBNNPSIFEYTE-AWEZNQCLSA-N 0 1 263.429 3.722 20 0 CHADMN CC[C@H](C)CCCCC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC001153735833 1124586949 /nfs/dbraw/zinc/58/69/49/1124586949.db2.gz XDWCQLHBJNELRW-NSHDSACASA-N 0 1 278.400 3.617 20 0 CHADMN CC[C@H](C)CCCCC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC001153735833 1124586957 /nfs/dbraw/zinc/58/69/57/1124586957.db2.gz XDWCQLHBJNELRW-NSHDSACASA-N 0 1 278.400 3.617 20 0 CHADMN CC[C@H](CC(F)(F)F)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000448623280 1124599486 /nfs/dbraw/zinc/59/94/86/1124599486.db2.gz CURYCYDDLGGNCS-SECBINFHSA-N 0 1 299.296 3.788 20 0 CHADMN CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000448622692 1124600098 /nfs/dbraw/zinc/60/00/98/1124600098.db2.gz AWSAWZIKWDKVKZ-AAEUAGOBSA-N 0 1 271.364 3.636 20 0 CHADMN CC(C)CN(Cc1ccccc1)Cc1ccncc1F ZINC000449013688 1124629539 /nfs/dbraw/zinc/62/95/39/1124629539.db2.gz MAAPFWLOIRUPJJ-UHFFFAOYSA-N 0 1 272.367 3.879 20 0 CHADMN COc1cccc2c(CN3CCO[C@@H]4CCC[C@H]43)cccc12 ZINC000449019425 1124629870 /nfs/dbraw/zinc/62/98/70/1124629870.db2.gz WIFKAOKHWLDZPR-IEBWSBKVSA-N 0 1 297.398 3.602 20 0 CHADMN C[C@H](COc1ccccc1-c1nnc[nH]1)C(C)(C)C ZINC000871737274 1124634232 /nfs/dbraw/zinc/63/42/32/1124634232.db2.gz NFYLORCBCIUQLF-LLVKDONJSA-N 0 1 259.353 3.533 20 0 CHADMN CC[C@@H](Cc1cccc(C)c1)c1nc([C@H]2CCCN2)no1 ZINC000871788296 1124637278 /nfs/dbraw/zinc/63/72/78/1124637278.db2.gz LGDUEKKMBFXVCZ-LSDHHAIUSA-N 0 1 285.391 3.539 20 0 CHADMN COc1cc(F)cc(CN(C)[C@@H](C)c2cccc(O)c2)c1 ZINC000449024324 1124639351 /nfs/dbraw/zinc/63/93/51/1124639351.db2.gz AFZUXHWPWZTTQP-LBPRGKRZSA-N 0 1 289.350 3.733 20 0 CHADMN Cc1cc(CNCc2ccnn2C2CCCC2)ccc1F ZINC000449068108 1124644538 /nfs/dbraw/zinc/64/45/38/1124644538.db2.gz QZUDDNSGSSOINL-UHFFFAOYSA-N 0 1 287.382 3.736 20 0 CHADMN CC[C@@H](NCc1c(C)nnn1CC)c1cccc(Cl)c1 ZINC000449076394 1124645281 /nfs/dbraw/zinc/64/52/81/1124645281.db2.gz HAKWSAMZXROWTD-CQSZACIVSA-N 0 1 292.814 3.501 20 0 CHADMN c1c2cnccc2oc1CNc1ccc2c(n1)CCCC2 ZINC000871864679 1124648826 /nfs/dbraw/zinc/64/88/26/1124648826.db2.gz JUBXHEGZXAZLPS-UHFFFAOYSA-N 0 1 279.343 3.714 20 0 CHADMN Clc1cccnc1CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000528386992 1124650045 /nfs/dbraw/zinc/65/00/45/1124650045.db2.gz ARGWFNIYGMQPQZ-AWEZNQCLSA-N 0 1 294.826 3.659 20 0 CHADMN Fc1cnccc1CN[C@@H](c1ccccc1)C1CCC1 ZINC000449122610 1124651531 /nfs/dbraw/zinc/65/15/31/1124651531.db2.gz MEJNIBCTEFMLIQ-KRWDZBQOSA-N 0 1 270.351 3.852 20 0 CHADMN C[C@@H](O)C[C@H]1CCCCN1Cc1cccc(F)c1Cl ZINC000123879573 1124652442 /nfs/dbraw/zinc/65/24/42/1124652442.db2.gz VKPAXDIKRMEFNB-DGCLKSJQSA-N 0 1 285.790 3.605 20 0 CHADMN COc1cc(C)ccc1CNC1(c2ccc(F)cc2)CC1 ZINC000449134555 1124654047 /nfs/dbraw/zinc/65/40/47/1124654047.db2.gz KBRCACOCVSQVBP-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN Clc1cccnc1CN(C1CC1)C1CCCC1 ZINC000528384103 1124654343 /nfs/dbraw/zinc/65/43/43/1124654343.db2.gz VQALEQDXQUGPSO-UHFFFAOYSA-N 0 1 250.773 3.642 20 0 CHADMN CC(C)[C@H]1CCc2[nH]n(-c3ccnc(Cl)c3)c(=O)c2C1 ZINC000871953155 1124654800 /nfs/dbraw/zinc/65/48/00/1124654800.db2.gz DDJUAYVRTRZBHJ-JQWIXIFHSA-N 0 1 291.782 3.510 20 0 CHADMN CC1(C)CC(CN2CCO[C@H](c3ccsc3)C2)C1 ZINC000528405200 1124655548 /nfs/dbraw/zinc/65/55/48/1124655548.db2.gz QUPIQSMWVRUVBH-AWEZNQCLSA-N 0 1 265.422 3.558 20 0 CHADMN C/C(Cl)=C\CN1CCN(C/C=C(/C)Cl)CC1(C)C ZINC000528416471 1124657566 /nfs/dbraw/zinc/65/75/66/1124657566.db2.gz NBBPWUNESXIEMQ-UWRPRBHNSA-N 0 1 291.266 3.668 20 0 CHADMN Cc1ccccc1CN[C@@H](C)c1cc(O)ccc1F ZINC000872018260 1124657909 /nfs/dbraw/zinc/65/79/09/1124657909.db2.gz KOUZRDGBVBEDQR-LBPRGKRZSA-N 0 1 259.324 3.691 20 0 CHADMN C/C(Cl)=C/CN1CCC(OCc2ccccc2F)CC1 ZINC000528428913 1124658876 /nfs/dbraw/zinc/65/88/76/1124658876.db2.gz HOXCLPYMEXSTNJ-MLPAPPSSSA-N 0 1 297.801 3.949 20 0 CHADMN Cn1nccc1CN[C@H]1CC(C)(C)Sc2ccccc21 ZINC000872021376 1124659621 /nfs/dbraw/zinc/65/96/21/1124659621.db2.gz OSRMVILMSGSDMG-AWEZNQCLSA-N 0 1 287.432 3.525 20 0 CHADMN COc1ccc([C@@H](C)NC/C=C(\C)Cl)cc1F ZINC000528428831 1124659650 /nfs/dbraw/zinc/65/96/50/1124659650.db2.gz BOEXZJFFGNEMSB-OLKPEBQYSA-N 0 1 257.736 3.628 20 0 CHADMN CC[C@H](NCc1ccc(C)cc1OC)c1ccncc1 ZINC000449162233 1124661595 /nfs/dbraw/zinc/66/15/95/1124661595.db2.gz IQKUSPZFOUKQOP-INIZCTEOSA-N 0 1 270.376 3.640 20 0 CHADMN COC1(C)CCN(Cc2nc3cc(C)ccc3s2)CC1 ZINC000528435991 1124666238 /nfs/dbraw/zinc/66/62/38/1124666238.db2.gz CCSYCKIPUWFLPX-UHFFFAOYSA-N 0 1 290.432 3.606 20 0 CHADMN COc1cc(F)c([C@H](C)NC/C=C(\C)Cl)cc1OC ZINC000528440405 1124667118 /nfs/dbraw/zinc/66/71/18/1124667118.db2.gz ZTVPLQFATAKBBT-CYNRKNSPSA-N 0 1 287.762 3.636 20 0 CHADMN C[C@H](NCc1cccnc1C(F)(F)F)c1cccc(O)c1 ZINC000528477786 1124675685 /nfs/dbraw/zinc/67/56/85/1124675685.db2.gz XQZSJJVHKHMSLC-JTQLQIEISA-N 0 1 296.292 3.657 20 0 CHADMN C/C(Cl)=C/CN1CC[C@H](C(F)(F)F)C1(C)C ZINC000528475182 1124675813 /nfs/dbraw/zinc/67/58/13/1124675813.db2.gz QHLWNGRNCLGPNR-OTOXVQDCSA-N 0 1 255.711 3.792 20 0 CHADMN C[C@H](CC(C)(C)C)NCc1nc(-c2ccccc2)no1 ZINC000449250004 1124676197 /nfs/dbraw/zinc/67/61/97/1124676197.db2.gz MXNKXPXNOMCWBA-GFCCVEGCSA-N 0 1 273.380 3.651 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2ncccc2Cl)C12CCCC2 ZINC000528502192 1124677794 /nfs/dbraw/zinc/67/77/94/1124677794.db2.gz GQEVGXNCQRNRAD-CABCVRRESA-N 0 1 294.826 3.562 20 0 CHADMN C[C@H]1CC(C)(C)CN1Cc1cccnc1C(F)(F)F ZINC000528518561 1124681626 /nfs/dbraw/zinc/68/16/26/1124681626.db2.gz DQYYFANDBWJMRD-JTQLQIEISA-N 0 1 272.314 3.721 20 0 CHADMN COC[C@H]1CCCCN1Cc1nc2cc(C)ccc2s1 ZINC000528515423 1124682048 /nfs/dbraw/zinc/68/20/48/1124682048.db2.gz GKPMIODLVWNDAL-CYBMUJFWSA-N 0 1 290.432 3.606 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(CO)ccc2F)cc1C ZINC000528515171 1124682134 /nfs/dbraw/zinc/68/21/34/1124682134.db2.gz FQFMGCIANJFSFX-UHFFFAOYSA-N 0 1 287.378 3.567 20 0 CHADMN COc1cc2ccccc2cc1CNC1CC(F)(F)C1 ZINC000449284459 1124682982 /nfs/dbraw/zinc/68/29/82/1124682982.db2.gz PFHSSRUURVABSB-UHFFFAOYSA-N 0 1 277.314 3.736 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1ccc(C(F)(F)F)s1 ZINC000872106133 1124683952 /nfs/dbraw/zinc/68/39/52/1124683952.db2.gz FDKWDWNYJKBYMT-ZETCQYMHSA-N 0 1 289.326 3.649 20 0 CHADMN Clc1cccnc1CN1CCC[C@H](c2ccncc2)C1 ZINC000528509004 1124684561 /nfs/dbraw/zinc/68/45/61/1124684561.db2.gz YLZZWXWBLZMRFH-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1ccc2sc(CN3CC[C@@H](OC(C)C)C3)nc2c1 ZINC000528539230 1124685395 /nfs/dbraw/zinc/68/53/95/1124685395.db2.gz VJEPHJDPMDDAFB-CYBMUJFWSA-N 0 1 290.432 3.604 20 0 CHADMN FC(F)(F)[C@@H]1CC=CC[C@@H]1NCc1ncccc1Cl ZINC000528559694 1124689057 /nfs/dbraw/zinc/68/90/57/1124689057.db2.gz BWOZKZQOSHMHQZ-KOLCDFICSA-N 0 1 290.716 3.722 20 0 CHADMN Cc1cc([C@H](C)NCc2ccc3oc(=O)[nH]c3c2)c(C)o1 ZINC000872122931 1124689184 /nfs/dbraw/zinc/68/91/84/1124689184.db2.gz JVQVQPVEEHNLMT-JTQLQIEISA-N 0 1 286.331 3.594 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)N[C@H](C)c1nccnc1C ZINC000872130450 1124690846 /nfs/dbraw/zinc/69/08/46/1124690846.db2.gz IBHRAEWSIUSTNR-DGCLKSJQSA-N 0 1 273.355 3.644 20 0 CHADMN Cc1n[nH]cc1[C@H](C)N[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000872131032 1124691328 /nfs/dbraw/zinc/69/13/28/1124691328.db2.gz VJORYGZPYUYGLM-BDAKNGLRSA-N 0 1 298.312 3.544 20 0 CHADMN CC[C@H](N[C@H](C)c1csc(C)n1)[C@@H](O)c1ccccc1 ZINC000872134723 1124693983 /nfs/dbraw/zinc/69/39/83/1124693983.db2.gz YDTABFBZIUPJMM-WPGHFRTFSA-N 0 1 290.432 3.614 20 0 CHADMN Clc1cccnc1CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000528558275 1124693967 /nfs/dbraw/zinc/69/39/67/1124693967.db2.gz RGGNGGCOSRIJFQ-XJKSGUPXSA-N 0 1 294.826 3.516 20 0 CHADMN CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C)c(C(=O)[O-])c1 ZINC000872162618 1124697319 /nfs/dbraw/zinc/69/73/19/1124697319.db2.gz UBVKLDHLIFZLPW-DZGCQCFKSA-N 0 1 275.392 3.846 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H]2[C@@H](c3ccccc3)C2(C)C)n1 ZINC000872170128 1124697964 /nfs/dbraw/zinc/69/79/64/1124697964.db2.gz DAZFTJMEFZTDKQ-RDBSUJKOSA-N 0 1 285.391 3.633 20 0 CHADMN Cc1cccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1F ZINC000449335547 1124697987 /nfs/dbraw/zinc/69/79/87/1124697987.db2.gz LCVADOYRFDDOEO-NVXWUHKLSA-N 0 1 289.394 3.668 20 0 CHADMN FC1(F)CC12C[C@H]1CC[C@@H](C2)N1Cc1ncccc1Cl ZINC000528587298 1124698244 /nfs/dbraw/zinc/69/82/44/1124698244.db2.gz GOSQYZRWDQWRSY-BVUQATHDSA-N 0 1 298.764 3.887 20 0 CHADMN CCn1nnc(C)c1CN(C(C)C)[C@@H](C)c1ccccc1 ZINC000449337366 1124699298 /nfs/dbraw/zinc/69/92/98/1124699298.db2.gz RFWLYIBYVIYJKQ-HNNXBMFYSA-N 0 1 286.423 3.578 20 0 CHADMN CCc1cnc(CN2CCC[C@H](OC3CCC3)CC2)s1 ZINC000872259160 1124700247 /nfs/dbraw/zinc/70/02/47/1124700247.db2.gz MXUZLJLGEOLNCN-AWEZNQCLSA-N 0 1 294.464 3.629 20 0 CHADMN Cc1nc2c(cncc2-c2cccc(Cl)c2F)[nH]1 ZINC001238957847 1131278310 /nfs/dbraw/zinc/27/83/10/1131278310.db2.gz AVBVKGJUTAVWJH-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN Cc1nc2c[nH]cc(-c3cccc(Cl)c3F)c-2n1 ZINC001238957847 1131278311 /nfs/dbraw/zinc/27/83/11/1131278311.db2.gz AVBVKGJUTAVWJH-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN CCc1cnc(CN(C)CCc2ccccc2C)s1 ZINC000449382397 1124717117 /nfs/dbraw/zinc/71/71/17/1124717117.db2.gz WNCQNYMGKQBZKH-UHFFFAOYSA-N 0 1 274.433 3.688 20 0 CHADMN FCC(CF)N[C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000449380200 1124717222 /nfs/dbraw/zinc/71/72/22/1124717222.db2.gz MCSQPICIGDCARP-DOMZBBRYSA-N 0 1 287.781 3.948 20 0 CHADMN COC[C@]1(C)CCN(Cc2cccc(Cl)c2Cl)C1 ZINC000449389963 1124722278 /nfs/dbraw/zinc/72/22/78/1124722278.db2.gz FIGBLSOIEMAIQN-CQSZACIVSA-N 0 1 288.218 3.852 20 0 CHADMN CC[C@H](CN1CC(C)(C)[C@H]1c1nccn1C)c1ccccc1 ZINC000449416655 1124723646 /nfs/dbraw/zinc/72/36/46/1124723646.db2.gz UUVPCFSRJZXOKJ-NVXWUHKLSA-N 0 1 297.446 3.997 20 0 CHADMN CSC1CCN(Cn2c3ccccc3oc2=S)CC1 ZINC000872625773 1124724136 /nfs/dbraw/zinc/72/41/36/1124724136.db2.gz AXNIANKYTPFSGV-UHFFFAOYSA-N 0 1 294.445 3.749 20 0 CHADMN Cc1noc(C23CC(C2)CN3CC[C@@H]2CCC[C@@H](C)C2)n1 ZINC000528625083 1124724206 /nfs/dbraw/zinc/72/42/06/1124724206.db2.gz UHUQOADKUDLRPN-AQVWGQKASA-N 0 1 289.423 3.515 20 0 CHADMN Cc1ccc(CNCc2cccc(C(F)(F)F)n2)s1 ZINC000449403639 1124727120 /nfs/dbraw/zinc/72/71/20/1124727120.db2.gz XFUHIBJKTDHLHL-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CC1=C[C@H](C)C[C@H](CN2CC(C)(C)[C@@H]2c2nccn2C)C1 ZINC000449411239 1124730633 /nfs/dbraw/zinc/73/06/33/1124730633.db2.gz AQZYGRNGCRKURD-BPUTZDHNSA-N 0 1 287.451 3.795 20 0 CHADMN c1cc(Sc2ccccn2)oc1CN1CC[C@H]1C1CC1 ZINC000449427024 1124734117 /nfs/dbraw/zinc/73/41/17/1124734117.db2.gz MQVLUNYLTGKSRG-AWEZNQCLSA-N 0 1 286.400 3.810 20 0 CHADMN CN(C)c1ccccc1CN[C@H](c1ccccn1)C1CCC1 ZINC000528660344 1124734741 /nfs/dbraw/zinc/73/47/41/1124734741.db2.gz RYHSJCRYLRMVOQ-IBGZPJMESA-N 0 1 295.430 3.779 20 0 CHADMN FC(F)Oc1ccc(C[N@H+]2CC[C@@H]2C2CC2)cc1Cl ZINC000449429830 1124736211 /nfs/dbraw/zinc/73/62/11/1124736211.db2.gz VQJMBIGGTULHAX-GFCCVEGCSA-N 0 1 287.737 3.926 20 0 CHADMN FC(F)Oc1ccc(CN2CC[C@@H]2C2CC2)cc1Cl ZINC000449429830 1124736219 /nfs/dbraw/zinc/73/62/19/1124736219.db2.gz VQJMBIGGTULHAX-GFCCVEGCSA-N 0 1 287.737 3.926 20 0 CHADMN CC(C)c1cc(CNCc2cccc3ncccc23)on1 ZINC000873051099 1124736407 /nfs/dbraw/zinc/73/64/07/1124736407.db2.gz ZNRNDVOAHLUROH-UHFFFAOYSA-N 0 1 281.359 3.636 20 0 CHADMN CS[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000449444433 1124739129 /nfs/dbraw/zinc/73/91/29/1124739129.db2.gz AFLJUONJSXAGNN-GFCCVEGCSA-N 0 1 275.339 3.643 20 0 CHADMN C[C@@]12CN(Cc3csc(C4CC4)n3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449448372 1124743070 /nfs/dbraw/zinc/74/30/70/1124743070.db2.gz HBCSXWQLAKKBSN-CXUGXGMPSA-N 0 1 286.444 3.665 20 0 CHADMN CC/C=C\CNCc1csc(-c2ccccc2)n1 ZINC000449454074 1124745620 /nfs/dbraw/zinc/74/56/20/1124745620.db2.gz JBDVXFBATMKGBJ-CLTKARDFSA-N 0 1 258.390 3.866 20 0 CHADMN COc1ccccc1CN1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000449460519 1124747024 /nfs/dbraw/zinc/74/70/24/1124747024.db2.gz NNTUINDPLYIGNF-YPMHNXCESA-N 0 1 287.325 3.858 20 0 CHADMN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C/C=C\c1ccncc1 ZINC000449458441 1124748123 /nfs/dbraw/zinc/74/81/23/1124748123.db2.gz IDRXWNOKJQCPPW-DEOOVVBZSA-N 0 1 284.325 3.758 20 0 CHADMN C/C(=C\c1ccccc1)CN[C@@H](C)c1nccnc1C ZINC000873188831 1124748761 /nfs/dbraw/zinc/74/87/61/1124748761.db2.gz MKPQIQZFYISZRJ-FQNOHDAGSA-N 0 1 267.376 3.539 20 0 CHADMN c1cc(N2CCCC2)oc1CN1CC[C@H]1c1ccccc1 ZINC001137069632 1124754550 /nfs/dbraw/zinc/75/45/50/1124754550.db2.gz GZHFMOKYOWKWFE-KRWDZBQOSA-N 0 1 282.387 3.827 20 0 CHADMN FCC1CCN(Cc2ccccc2Br)CC1 ZINC000449461137 1124755992 /nfs/dbraw/zinc/75/59/92/1124755992.db2.gz SNXLOAPCIPJXKE-UHFFFAOYSA-N 0 1 286.188 3.631 20 0 CHADMN CN(Cc1nccs1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170945293 1131282121 /nfs/dbraw/zinc/28/21/21/1131282121.db2.gz VJRHXOACRCESEG-GFCCVEGCSA-N 0 1 292.835 3.786 20 0 CHADMN CCO[C@@H]1CC[N@@H+](Cc2ccc(C)c(Cl)c2)C[C@H]1C ZINC000449497455 1124769357 /nfs/dbraw/zinc/76/93/57/1124769357.db2.gz KJUYMVJQWCDKTQ-CZUORRHYSA-N 0 1 281.827 3.895 20 0 CHADMN CCO[C@H]1CC[N@@H+](Cc2cnc(C(C)(C)C)s2)C[C@H]1C ZINC000449497762 1124771254 /nfs/dbraw/zinc/77/12/54/1124771254.db2.gz ROBSUMVFPXOAOR-OCCSQVGLSA-N 0 1 296.480 3.688 20 0 CHADMN CCO[C@H]1CCN(Cc2cnc(C(C)(C)C)s2)C[C@H]1C ZINC000449497762 1124771264 /nfs/dbraw/zinc/77/12/64/1124771264.db2.gz ROBSUMVFPXOAOR-OCCSQVGLSA-N 0 1 296.480 3.688 20 0 CHADMN CCOC[C@H]1CN([C@H](C)c2cccc3ccccc32)CCO1 ZINC000528722692 1124772006 /nfs/dbraw/zinc/77/20/06/1124772006.db2.gz RQDHQLQLZSOJRD-NVXWUHKLSA-N 0 1 299.414 3.638 20 0 CHADMN CC(C)n1ccc(-c2nc(C(C)(C)C)nc3nc[nH]c32)c1 ZINC001239067247 1131299039 /nfs/dbraw/zinc/29/90/39/1131299039.db2.gz GDRPLWFMBPPEFD-UHFFFAOYSA-N 0 1 283.379 3.651 20 0 CHADMN COc1cc([C@@H](C)N[C@@H](c2ccccc2)C(C)C)on1 ZINC000820805106 1131302167 /nfs/dbraw/zinc/30/21/67/1131302167.db2.gz FRGWPZUZINEWDW-MLGOLLRUSA-N 0 1 274.364 3.731 20 0 CHADMN CC(C)n1cc(CN(C)C[C@@H](C)C2CCCCC2)nn1 ZINC000528774648 1124800949 /nfs/dbraw/zinc/80/09/49/1124800949.db2.gz SMKBREYMHCJEFH-CQSZACIVSA-N 0 1 278.444 3.507 20 0 CHADMN C[C@H]1CC[C@@H](CN2CCc3cccc(C(F)(F)F)c3C2)O1 ZINC000528795493 1124809428 /nfs/dbraw/zinc/80/94/28/1124809428.db2.gz VIKPLQCFFNYNMU-AAEUAGOBSA-N 0 1 299.336 3.631 20 0 CHADMN O[C@@H]1CCCC[C@@H]1[C@@H]1CCCCN1C/C(Cl)=C/Cl ZINC000124754622 1124810563 /nfs/dbraw/zinc/81/05/63/1124810563.db2.gz KFRQWJLCGVUIRA-MIARRUSLSA-N 0 1 292.250 3.711 20 0 CHADMN CCc1ncc(CNCc2cc3ccccc3s2)o1 ZINC000449611542 1124817284 /nfs/dbraw/zinc/81/72/84/1124817284.db2.gz WEFKAUCOAIBQPT-UHFFFAOYSA-N 0 1 272.373 3.742 20 0 CHADMN CN1CCC[C@H](NCc2ccc(Cl)o2)c2ccccc21 ZINC000449650666 1124829344 /nfs/dbraw/zinc/82/93/44/1124829344.db2.gz LQXYPMHQFBLOMR-AWEZNQCLSA-N 0 1 290.794 3.994 20 0 CHADMN CC[C@@H](O)[C@@H](CC)NCc1csc(-c2cccs2)n1 ZINC000449638766 1124832274 /nfs/dbraw/zinc/83/22/74/1124832274.db2.gz LYPKXTREBVZIDU-VXGBXAGGSA-N 0 1 296.461 3.511 20 0 CHADMN Fc1ccc(/C=C\CNCc2cnc(C3CC3)o2)cc1F ZINC000449703173 1124841544 /nfs/dbraw/zinc/84/15/44/1124841544.db2.gz FOURVXPYNCTJRM-UPHRSURJSA-N 0 1 290.313 3.633 20 0 CHADMN CCC1(CC)CCCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000874629597 1124846524 /nfs/dbraw/zinc/84/65/24/1124846524.db2.gz GVKLKZYGCJYNMF-UHFFFAOYSA-N 0 1 285.391 3.666 20 0 CHADMN CCn1nccc1CN1CCC[C@H]1c1ccc(F)cc1C ZINC000449732824 1124850049 /nfs/dbraw/zinc/85/00/49/1124850049.db2.gz MVAWLUNIBDIVKH-KRWDZBQOSA-N 0 1 287.382 3.688 20 0 CHADMN COc1cccnc1CN[C@H](c1ccc(C)cc1)C1CC1 ZINC000449751094 1124861632 /nfs/dbraw/zinc/86/16/32/1124861632.db2.gz XKPKQTHTMHFCSJ-GOSISDBHSA-N 0 1 282.387 3.640 20 0 CHADMN CCCC[C@@H](CCC)NC(=O)c1c(C)n[nH]c1C(C)C ZINC000450100538 1124928632 /nfs/dbraw/zinc/92/86/32/1124928632.db2.gz APEVRLAGXOWWDP-CYBMUJFWSA-N 0 1 279.428 3.930 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C[C@@H]3CC[C@H]4C[C@H]43)c2C)o1 ZINC000450178175 1124940198 /nfs/dbraw/zinc/94/01/98/1124940198.db2.gz PBTFBKBLMWQHLC-RWMBFGLXSA-N 0 1 299.374 3.661 20 0 CHADMN Cc1ccc2nc(NC(=O)C[C@H](C)c3ccco3)[nH]c2c1 ZINC000529415928 1124951929 /nfs/dbraw/zinc/95/19/29/1124951929.db2.gz BMLSYWMJWIRPFB-NSHDSACASA-N 0 1 283.331 3.597 20 0 CHADMN COc1ccc(Cl)c(CN2CCS[C@@H](C(C)C)C2)c1 ZINC001307498535 1124964913 /nfs/dbraw/zinc/96/49/13/1124964913.db2.gz ZQZAPONWADSYIP-OAHLLOKOSA-N 0 1 299.867 3.922 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1csc(C)n1)C1CC1 ZINC000120696711 1124967343 /nfs/dbraw/zinc/96/73/43/1124967343.db2.gz DUFSESAPAWNDBY-WDEREUQCSA-N 0 1 252.427 3.851 20 0 CHADMN CSC(C)(C)CCN1CCO[C@@H](c2cccs2)C1 ZINC000876644179 1124968209 /nfs/dbraw/zinc/96/82/09/1124968209.db2.gz VFOGJNJOJUZGOR-GFCCVEGCSA-N 0 1 285.478 3.653 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1ccc(Cl)nn1 ZINC000876770961 1124977796 /nfs/dbraw/zinc/97/77/96/1124977796.db2.gz LDXHFRVWYGIWAW-DOMZBBRYSA-N 0 1 287.794 3.508 20 0 CHADMN CCN(c1ccc(NCCC[C@@H]2CCO2)cc1)C(C)C ZINC000876819623 1124980441 /nfs/dbraw/zinc/98/04/41/1124980441.db2.gz DUXLWWCYOCUFNC-QGZVFWFLSA-N 0 1 276.424 3.902 20 0 CHADMN c1cc2ccc(CN3CCOC4(CCCCC4)C3)cc2[nH]1 ZINC000529526968 1124986594 /nfs/dbraw/zinc/98/65/94/1124986594.db2.gz BZMIREUSKIYAPP-UHFFFAOYSA-N 0 1 284.403 3.703 20 0 CHADMN CCCN(Cc1ccn(CCc2ccccc2)n1)C1CC1 ZINC000450352897 1124996071 /nfs/dbraw/zinc/99/60/71/1124996071.db2.gz CWEZYHITJLGEIT-UHFFFAOYSA-N 0 1 283.419 3.500 20 0 CHADMN Cc1ccc(Nc2cc(N)ccc2Cl)c2cn[nH]c21 ZINC001159876249 1131324118 /nfs/dbraw/zinc/32/41/18/1131324118.db2.gz MCFSSZVBMNUKBR-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1ccoc1C[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000529576017 1125000218 /nfs/dbraw/zinc/00/02/18/1125000218.db2.gz HTCJEJLISNXOLH-UHFFFAOYSA-N 0 1 254.333 3.701 20 0 CHADMN Cc1ccoc1CN(C)Cc1ccc2cc[nH]c2c1 ZINC000529576017 1125000225 /nfs/dbraw/zinc/00/02/25/1125000225.db2.gz HTCJEJLISNXOLH-UHFFFAOYSA-N 0 1 254.333 3.701 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NCC[C@@H]1CCCC1(C)C ZINC000529567881 1125003331 /nfs/dbraw/zinc/00/33/31/1125003331.db2.gz VYSFYMZLQDABGQ-ZDUSSCGKSA-N 0 1 291.439 3.788 20 0 CHADMN CC(F)(F)c1ccc(CNCc2ccc(F)cn2)cc1 ZINC000529587448 1125008392 /nfs/dbraw/zinc/00/83/92/1125008392.db2.gz LWLMIRQKTGOMEJ-UHFFFAOYSA-N 0 1 280.293 3.622 20 0 CHADMN CC1(C)C[C@H](NCc2ccc(Cl)nn2)c2ccccc21 ZINC000877099796 1125010343 /nfs/dbraw/zinc/01/03/43/1125010343.db2.gz KUMGHLQFWIUGAX-AWEZNQCLSA-N 0 1 287.794 3.642 20 0 CHADMN CC(C)N1CCC[C@@H]1C(=O)Nc1ccccc1C(C)(F)F ZINC000821333020 1131325091 /nfs/dbraw/zinc/32/50/91/1131325091.db2.gz DVOGJGPCRCKLOY-CQSZACIVSA-N 0 1 296.361 3.610 20 0 CHADMN CCSCCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000126370359 1125016613 /nfs/dbraw/zinc/01/66/13/1125016613.db2.gz LSVNJVRFCDCWCQ-CMDGGOBGSA-N 0 1 291.445 3.820 20 0 CHADMN Cc1c(Cl)cccc1CN(C)Cc1cccnc1 ZINC000877168984 1125017029 /nfs/dbraw/zinc/01/70/29/1125017029.db2.gz BLDJGRBCEFNUJZ-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN Cc1cccc([C@H]2CCCCCN2Cc2cnns2)c1 ZINC000450418188 1125019553 /nfs/dbraw/zinc/01/95/53/1125019553.db2.gz LLFOZZHHKZFMMP-MRXNPFEDSA-N 0 1 287.432 3.964 20 0 CHADMN CN(Cc1nc(Cl)cs1)C[C@@H]1CC=CCC1 ZINC000877307333 1125022888 /nfs/dbraw/zinc/02/28/88/1125022888.db2.gz GIZXOIWVPPXMAH-SNVBAGLBSA-N 0 1 256.802 3.585 20 0 CHADMN FC1(F)CCCC[C@@H]1CN1CCOC[C@H]1c1ccccc1 ZINC000450451184 1125029931 /nfs/dbraw/zinc/02/99/31/1125029931.db2.gz FDFPPNAAWXOBSU-CVEARBPZSA-N 0 1 295.373 3.885 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cc3c(cc[nH]c3=O)o2)c1 ZINC000877476831 1125032630 /nfs/dbraw/zinc/03/26/30/1125032630.db2.gz ORVKWOQYXVQVST-UHFFFAOYSA-N 0 1 296.370 3.782 20 0 CHADMN CCc1cc(CCCN2Cc3ccccc3[C@H]2C)on1 ZINC000450457447 1125034608 /nfs/dbraw/zinc/03/46/08/1125034608.db2.gz VPOWZAUTWLYQIS-CYBMUJFWSA-N 0 1 270.376 3.746 20 0 CHADMN Fc1cccc2cc(CN3CCC(F)(F)CC3)cnc12 ZINC000877492238 1125035015 /nfs/dbraw/zinc/03/50/15/1125035015.db2.gz HOVDADNFJRNOTO-UHFFFAOYSA-N 0 1 280.293 3.605 20 0 CHADMN CN(C)c1ccc(F)cc1CN1CCC[C@H]1c1ccncc1 ZINC000877522919 1125039347 /nfs/dbraw/zinc/03/93/47/1125039347.db2.gz FHIDWYYNSMCNPY-SFHVURJKSA-N 0 1 299.393 3.624 20 0 CHADMN c1cn(CCc2ccccc2)nc1CN1CCC2(CCC2)C1 ZINC000450483369 1125043317 /nfs/dbraw/zinc/04/33/17/1125043317.db2.gz JILWEYYWRANPCF-UHFFFAOYSA-N 0 1 295.430 3.502 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCCN1Cc1nnc(C2CC2)s1 ZINC000450495893 1125047092 /nfs/dbraw/zinc/04/70/92/1125047092.db2.gz BVQBTESELHCTFB-YPMHNXCESA-N 0 1 279.453 3.816 20 0 CHADMN CC(C)N(Cc1nnc(C2CC2)s1)C1CCCCC1 ZINC000450549653 1125053427 /nfs/dbraw/zinc/05/34/27/1125053427.db2.gz WEPCKHDCZKLCTB-UHFFFAOYSA-N 0 1 279.453 3.959 20 0 CHADMN COc1ncc(CN[C@@H]2CCc3ccc(Cl)cc32)s1 ZINC000877660472 1125059446 /nfs/dbraw/zinc/05/94/46/1125059446.db2.gz MVSAJQDSSRMZOX-CYBMUJFWSA-N 0 1 294.807 3.582 20 0 CHADMN CCC(C)(C)[C@@H]1CCCN1Cc1nnc(C2CC2)s1 ZINC000450607061 1125070703 /nfs/dbraw/zinc/07/07/03/1125070703.db2.gz WETWRURKORZNJB-LBPRGKRZSA-N 0 1 279.453 3.816 20 0 CHADMN Fc1ccc(Cl)cc1CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121253604 1125074185 /nfs/dbraw/zinc/07/41/85/1125074185.db2.gz PVVQAGUKUUYITB-LLVKDONJSA-N 0 1 293.773 3.582 20 0 CHADMN Cc1nc(C)c(CN2CC([C@H]3CCC[C@@H](C)C3)C2)o1 ZINC000877763973 1125076013 /nfs/dbraw/zinc/07/60/13/1125076013.db2.gz POCLMSQZABSMBA-RISCZKNCSA-N 0 1 262.397 3.550 20 0 CHADMN CC[C@@H](NCc1ccc(C)cc1)c1c(C)noc1C ZINC000121287008 1125076676 /nfs/dbraw/zinc/07/66/76/1125076676.db2.gz JQKQVZDAGLXOSM-OAHLLOKOSA-N 0 1 258.365 3.841 20 0 CHADMN CC[C@H](C(=O)Nc1ccc(Cl)cc1C(C)C)N(C)C ZINC000529853758 1125082283 /nfs/dbraw/zinc/08/22/83/1125082283.db2.gz QDKZJCJHUULEHA-CQSZACIVSA-N 0 1 282.815 3.742 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)Cc3ccco3)cc2[nH]1 ZINC000340562680 1125084417 /nfs/dbraw/zinc/08/44/17/1125084417.db2.gz PTUKXGBKWVWVTD-UHFFFAOYSA-N 0 1 297.358 3.635 20 0 CHADMN CC(F)(F)CCSc1nc(-c2ccccc2)n[nH]1 ZINC000450680278 1125084780 /nfs/dbraw/zinc/08/47/80/1125084780.db2.gz LQNANDQOLCSZRT-UHFFFAOYSA-N 0 1 269.320 3.609 20 0 CHADMN Cc1csc([C@@H]2CCN(Cc3ccc(F)c(F)c3)C2)n1 ZINC000877814091 1125086001 /nfs/dbraw/zinc/08/60/01/1125086001.db2.gz STGUUPYTUZMDFY-GFCCVEGCSA-N 0 1 294.370 3.719 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(F)(F)F)O[C@@H](C)C2)s1 ZINC000877821494 1125087457 /nfs/dbraw/zinc/08/74/57/1125087457.db2.gz BCFJILFWFDWKAF-JOYOIKCWSA-N 0 1 293.354 3.598 20 0 CHADMN Cc1ccc(-c2ccc(CN(C)C)c(F)c2)c(C)n1 ZINC001239468404 1131330672 /nfs/dbraw/zinc/33/06/72/1131330672.db2.gz DHJIJZGGCRAVBT-UHFFFAOYSA-N 0 1 258.340 3.566 20 0 CHADMN Cc1ccc(F)c(CSc2nc(C(C)(C)C)n[nH]2)c1 ZINC000450757444 1125103931 /nfs/dbraw/zinc/10/39/31/1125103931.db2.gz HWYFRGVWUCDPTH-UHFFFAOYSA-N 0 1 279.384 3.842 20 0 CHADMN Cc1ccc(F)c(CSc2n[nH]c(C(C)(C)C)n2)c1 ZINC000450757444 1125103936 /nfs/dbraw/zinc/10/39/36/1125103936.db2.gz HWYFRGVWUCDPTH-UHFFFAOYSA-N 0 1 279.384 3.842 20 0 CHADMN Cn1cc([C@@H](NCC2=CCCCC2)c2ccc(F)cc2)cn1 ZINC000450775792 1125105162 /nfs/dbraw/zinc/10/51/62/1125105162.db2.gz VEECPWYCUQJITA-SFHVURJKSA-N 0 1 299.393 3.739 20 0 CHADMN c1ccc([C@H]2CCN(Cc3nc4c(o3)CCCC4)C2)cc1 ZINC000878013728 1125112222 /nfs/dbraw/zinc/11/22/22/1125112222.db2.gz DCXBTZHGOBOXJE-HNNXBMFYSA-N 0 1 282.387 3.543 20 0 CHADMN CCN(CCc1cccs1)Cc1scnc1Cl ZINC000878013978 1125112676 /nfs/dbraw/zinc/11/26/76/1125112676.db2.gz FOISVBOTWONEFY-UHFFFAOYSA-N 0 1 286.853 3.923 20 0 CHADMN CCOC(=O)c1cc2[nH]c(-c3ccc(F)cc3)ccc-2n1 ZINC001239472816 1131332985 /nfs/dbraw/zinc/33/29/85/1131332985.db2.gz RDNYDXVTYGGZGM-UHFFFAOYSA-N 0 1 284.290 3.546 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2nc3c(o2)CCCC3)C1 ZINC000878098010 1125120737 /nfs/dbraw/zinc/12/07/37/1125120737.db2.gz RGBZPWSAKIZQCE-CYBMUJFWSA-N 0 1 294.464 3.661 20 0 CHADMN Cc1cc(C)c(NC(=O)c2cccc(F)c2O)c(C)c1 ZINC001124238766 1131333192 /nfs/dbraw/zinc/33/31/92/1131333192.db2.gz DPPAMVOARASGEC-UHFFFAOYSA-N 0 1 273.307 3.709 20 0 CHADMN C[C@@H]1c2ccccc2CN1C[C@@H]1CCC2(CCC2)O1 ZINC000878157839 1125125438 /nfs/dbraw/zinc/12/54/38/1125125438.db2.gz NMMFKOIIHSZQIF-HIFRSBDPSA-N 0 1 257.377 3.665 20 0 CHADMN CN(Cc1ccc(Cl)nc1)C[C@H]1CCCC(C)(C)O1 ZINC000878166867 1125127315 /nfs/dbraw/zinc/12/73/15/1125127315.db2.gz IJMQNUGYQIJYFE-CYBMUJFWSA-N 0 1 282.815 3.515 20 0 CHADMN Cc1ccc(CCC[N@@H+]2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)cc1 ZINC000530174457 1125130069 /nfs/dbraw/zinc/13/00/69/1125130069.db2.gz KCHUJEYFRGNUNE-SCAQPMJSSA-N 0 1 289.419 3.501 20 0 CHADMN CC1(C)CCN1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878254331 1125135198 /nfs/dbraw/zinc/13/51/98/1125135198.db2.gz RZKONZVAETXWHZ-LBPRGKRZSA-N 0 1 274.191 3.511 20 0 CHADMN O=C(c1cc(C(F)F)[nH]n1)N(CC1CCCCC1)C1CC1 ZINC000878339786 1125141942 /nfs/dbraw/zinc/14/19/42/1125141942.db2.gz FMGDGBIYSUHOHW-UHFFFAOYSA-N 0 1 297.349 3.532 20 0 CHADMN Cc1csc(C2(NC[C@H]3CCCC(C)(C)O3)CCC2)n1 ZINC000878417259 1125151973 /nfs/dbraw/zinc/15/19/73/1125151973.db2.gz HLRHVOLKXVKREB-CYBMUJFWSA-N 0 1 294.464 3.768 20 0 CHADMN CCN(CC(=O)Nc1c(C)cc(C)cc1Cl)C1CCC1 ZINC000530623310 1125168546 /nfs/dbraw/zinc/16/85/46/1125168546.db2.gz LKBZXUKNACLOJC-UHFFFAOYSA-N 0 1 294.826 3.770 20 0 CHADMN Fc1ccc(CNC2(c3ccc(F)cc3)CC2)cc1 ZINC000530729471 1125176588 /nfs/dbraw/zinc/17/65/88/1125176588.db2.gz BKTURCNUOPZWGH-UHFFFAOYSA-N 0 1 259.299 3.744 20 0 CHADMN C[C@@H](CN1CCc2cc(Cl)nnc2C1)CC(C)(C)C ZINC000878758452 1125178452 /nfs/dbraw/zinc/17/84/52/1125178452.db2.gz MVARFFUHUYEJGW-LLVKDONJSA-N 0 1 281.831 3.560 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H]2c2cccc(C)c2C)no1 ZINC000122310774 1125186928 /nfs/dbraw/zinc/18/69/28/1125186928.db2.gz NSFMMAGTVLMNTB-KRWDZBQOSA-N 0 1 270.376 3.937 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2cccc(C)c2C)no1 ZINC000122310774 1125186933 /nfs/dbraw/zinc/18/69/33/1125186933.db2.gz NSFMMAGTVLMNTB-KRWDZBQOSA-N 0 1 270.376 3.937 20 0 CHADMN Cc1ccc(CN[C@H]2CCCc3cc(F)ccc32)o1 ZINC000122397380 1125188195 /nfs/dbraw/zinc/18/81/95/1125188195.db2.gz URQAMDTYKVLEJH-INIZCTEOSA-N 0 1 259.324 3.894 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H]1c1nc([C@@H](N)CC(C)C)no1 ZINC000339386332 1125190930 /nfs/dbraw/zinc/19/09/30/1125190930.db2.gz AZNPBTDSLVKRGV-ZNMIVQPWSA-N 0 1 285.391 3.695 20 0 CHADMN CC[C@](C)(NCc1cnc(Cl)cn1)c1ccc(F)cc1 ZINC000879128101 1125198546 /nfs/dbraw/zinc/19/85/46/1125198546.db2.gz IREBQCGBODDKRN-HNNXBMFYSA-N 0 1 293.773 3.684 20 0 CHADMN CC(C)(C)OC(=O)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000531164636 1125198505 /nfs/dbraw/zinc/19/85/05/1125198505.db2.gz PHLVPBIDMXSBHH-CYBMUJFWSA-N 0 1 295.810 3.504 20 0 CHADMN CCc1ccc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)o1 ZINC000628390275 1125199250 /nfs/dbraw/zinc/19/92/50/1125199250.db2.gz FYWDXQNEJGLNQE-GHMZBOCLSA-N 0 1 257.324 3.565 20 0 CHADMN Cc1cccc2c(CN3Cc4ccccc4[C@@H](C)C3)[nH]nc21 ZINC001137141599 1125202169 /nfs/dbraw/zinc/20/21/69/1125202169.db2.gz BOLCEDWLZOWXQV-AWEZNQCLSA-N 0 1 291.398 3.991 20 0 CHADMN Fc1ccc(F)c(CN2CC[C@H]2Cc2ccccc2)c1 ZINC000531233390 1125203433 /nfs/dbraw/zinc/20/34/33/1125203433.db2.gz OODWSCUZGRZRES-INIZCTEOSA-N 0 1 273.326 3.782 20 0 CHADMN Cc1cccc2c(CN3CCc4ccccc4[C@H]3C)[nH]nc21 ZINC001137141900 1125204506 /nfs/dbraw/zinc/20/45/06/1125204506.db2.gz NFPAGFWNZBSOIB-CQSZACIVSA-N 0 1 291.398 3.991 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1nc2cc(Cl)ccc2n1C ZINC000123080615 1125222781 /nfs/dbraw/zinc/22/27/81/1125222781.db2.gz LTLWHPSWSKPXSZ-GHMZBOCLSA-N 0 1 277.799 3.600 20 0 CHADMN CN(Cc1ccc2cc[nH]c2c1)CC1(Br)CC1 ZINC000879729419 1125228329 /nfs/dbraw/zinc/22/83/29/1125228329.db2.gz ZLJCYPQGJBXKPG-UHFFFAOYSA-N 0 1 293.208 3.527 20 0 CHADMN Cc1cncc([C@@H]2CCCN2Cc2ccsc2)c1 ZINC000879750870 1125231884 /nfs/dbraw/zinc/23/18/84/1125231884.db2.gz ADIRTFDIYIHNDE-HNNXBMFYSA-N 0 1 258.390 3.789 20 0 CHADMN Cc1cccc2c(C[N@H+]3CCCc4ccccc4C3)[nH]nc21 ZINC001137147975 1125239299 /nfs/dbraw/zinc/23/92/99/1125239299.db2.gz NKILTRULFDQIDG-UHFFFAOYSA-N 0 1 291.398 3.820 20 0 CHADMN Cc1cccc2c(C[N@@H+](C)Cc3cccs3)[nH]nc21 ZINC001137147760 1125239610 /nfs/dbraw/zinc/23/96/10/1125239610.db2.gz DJPOPOPBHCRFNW-UHFFFAOYSA-N 0 1 271.389 3.565 20 0 CHADMN Cc1cccc2c(CN(C)Cc3cccs3)[nH]nc21 ZINC001137147760 1125239614 /nfs/dbraw/zinc/23/96/14/1125239614.db2.gz DJPOPOPBHCRFNW-UHFFFAOYSA-N 0 1 271.389 3.565 20 0 CHADMN Cc1cc(OCCCCC2CCOCC2)cc(C)n1 ZINC000532210262 1125241137 /nfs/dbraw/zinc/24/11/37/1125241137.db2.gz JHXZVZWGOLFIFO-UHFFFAOYSA-N 0 1 263.381 3.674 20 0 CHADMN Cc1cccc2c(C[N@@H+]3Cc4ccccc4C[C@H]3C)[nH]nc21 ZINC001137149089 1125242444 /nfs/dbraw/zinc/24/24/44/1125242444.db2.gz DEZUWHUFAVFALC-CQSZACIVSA-N 0 1 291.398 3.818 20 0 CHADMN Cc1cccc2c(CN3Cc4ccccc4C[C@H]3C)[nH]nc21 ZINC001137149089 1125242448 /nfs/dbraw/zinc/24/24/48/1125242448.db2.gz DEZUWHUFAVFALC-CQSZACIVSA-N 0 1 291.398 3.818 20 0 CHADMN CC[C@@H]1CCCN1Cc1nc(C(C)(C)C)cs1 ZINC000532291089 1125246001 /nfs/dbraw/zinc/24/60/01/1125246001.db2.gz JOWJDHIVSHJRTJ-LLVKDONJSA-N 0 1 252.427 3.815 20 0 CHADMN COc1ccnc([C@@H](C)N[C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000925254899 1125246452 /nfs/dbraw/zinc/24/64/52/1125246452.db2.gz RZRKFSHENCTGIB-QWHCGFSZSA-N 0 1 288.366 3.950 20 0 CHADMN CCC[C@H](C(=O)c1ccccc1)N(C)[C@H]1CCO[C@@H](C)C1 ZINC001168142903 1125251373 /nfs/dbraw/zinc/25/13/73/1125251373.db2.gz MZTYRGZZRLGHPW-BHYGNILZSA-N 0 1 289.419 3.537 20 0 CHADMN COCc1csc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000826143355 1125251890 /nfs/dbraw/zinc/25/18/90/1125251890.db2.gz XSSNESURNYQJHI-ZDUSSCGKSA-N 0 1 287.375 3.516 20 0 CHADMN C[C@H]1CCN([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000508619908 1125255368 /nfs/dbraw/zinc/25/53/68/1125255368.db2.gz HPKUTKPNVBYZEW-YJBOKZPZSA-N 0 1 294.398 3.708 20 0 CHADMN COC(=O)[C@@H](c1ccccc1)N1CCC[C@H](CC(C)C)C1 ZINC001168144761 1125257658 /nfs/dbraw/zinc/25/76/58/1125257658.db2.gz HDUYVBXOYIGGFF-NVXWUHKLSA-N 0 1 289.419 3.659 20 0 CHADMN COc1cc(C[N@H+]2CCC[C@@H](CF)C2)ccc1SC ZINC000880232308 1125258164 /nfs/dbraw/zinc/25/81/64/1125258164.db2.gz KVCNGEUDEBYOGD-ZDUSSCGKSA-N 0 1 283.412 3.599 20 0 CHADMN Cc1ccc(-c2cnc(C[N@H+]3CCC[C@@H](CF)C3)o2)cc1 ZINC000880233554 1125259096 /nfs/dbraw/zinc/25/90/96/1125259096.db2.gz XSZAIWYMRACDBT-AWEZNQCLSA-N 0 1 288.366 3.832 20 0 CHADMN Cc1ccc(-c2cnc(CN3CCC[C@@H](CF)C3)o2)cc1 ZINC000880233554 1125259098 /nfs/dbraw/zinc/25/90/98/1125259098.db2.gz XSZAIWYMRACDBT-AWEZNQCLSA-N 0 1 288.366 3.832 20 0 CHADMN Clc1sccc1CN1CC[C@@H](c2nccs2)C1 ZINC000880323723 1125265589 /nfs/dbraw/zinc/26/55/89/1125265589.db2.gz VENLEODLMMIAGS-SNVBAGLBSA-N 0 1 284.837 3.848 20 0 CHADMN Fc1cc(Cl)ccc1CN1CC[C@H](c2nccs2)C1 ZINC000880320337 1125266169 /nfs/dbraw/zinc/26/61/69/1125266169.db2.gz SJFHNHPTIGAFHM-NSHDSACASA-N 0 1 296.798 3.925 20 0 CHADMN Cc1cncc(CN2CCc3ccsc3[C@H]2C)c1 ZINC000880376916 1125269885 /nfs/dbraw/zinc/26/98/85/1125269885.db2.gz LQEBFOWNGQRDKT-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)cc1)c1cncs1 ZINC000128454645 1125276771 /nfs/dbraw/zinc/27/67/71/1125276771.db2.gz CHJDYEHPJPFEFR-VHSXEESVSA-N 0 1 250.342 3.694 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@@H](C)c2ccc(Cl)nc2)cn1 ZINC000760158288 1125278759 /nfs/dbraw/zinc/27/87/59/1125278759.db2.gz LZXTTXXXOSBSPF-NWDGAFQWSA-N 0 1 292.814 3.924 20 0 CHADMN Cc1ncc(CN2C[C@@H]3CC[C@H]2c2ccccc23)s1 ZINC000880538539 1125279577 /nfs/dbraw/zinc/27/95/77/1125279577.db2.gz MNYUBQZNZUTBPU-LRDDRELGSA-N 0 1 270.401 3.886 20 0 CHADMN COC(=O)c1cc2ccc(-c3ccc(SC)cc3)[nH]c-2n1 ZINC001239496028 1131346965 /nfs/dbraw/zinc/34/69/65/1131346965.db2.gz HUYTZRFTHVRHGA-UHFFFAOYSA-N 0 1 298.367 3.738 20 0 CHADMN CN(Cc1ccco1)Cc1ccc(OCC2CC2)cc1 ZINC000191181136 1125321864 /nfs/dbraw/zinc/32/18/64/1125321864.db2.gz LRSNOWVMOCICAZ-UHFFFAOYSA-N 0 1 271.360 3.700 20 0 CHADMN C[C@@H](C1CC1)N(Cc1nccn1-c1ccccc1)C1CC1 ZINC000191242742 1125323233 /nfs/dbraw/zinc/32/32/33/1125323233.db2.gz PCIAJVNLBIKKDZ-AWEZNQCLSA-N 0 1 281.403 3.635 20 0 CHADMN CCCC1CCC(N(C)Cc2nccn2CC)CC1 ZINC000191808435 1125327831 /nfs/dbraw/zinc/32/78/31/1125327831.db2.gz DLFXVOPTSCWICQ-UHFFFAOYSA-N 0 1 263.429 3.694 20 0 CHADMN CC(C)(C)c1n[nH]cc1CNCc1ccc2ncccc2c1 ZINC000192978006 1125336873 /nfs/dbraw/zinc/33/68/73/1125336873.db2.gz PCIAZKDJOXFCKL-UHFFFAOYSA-N 0 1 294.402 3.545 20 0 CHADMN C[C@@H](c1ccco1)N(Cc1ccc2c(c1)OCCO2)C1CC1 ZINC000086234667 1125337827 /nfs/dbraw/zinc/33/78/27/1125337827.db2.gz HZAANZAHZCFWEO-ZDUSSCGKSA-N 0 1 299.370 3.776 20 0 CHADMN Cc1cccc(CCN2CC(C)(C)[C@H]2c2ccco2)n1 ZINC000639930786 1125341786 /nfs/dbraw/zinc/34/17/86/1125341786.db2.gz ZPXFLCAFTHRSMD-MRXNPFEDSA-N 0 1 270.376 3.609 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H]2C[C@H]2c2ccco2)c(C)s1 ZINC000666267391 1125345129 /nfs/dbraw/zinc/34/51/29/1125345129.db2.gz DTLXTHWJDQAFKP-GGZOMVNGSA-N 0 1 262.378 3.560 20 0 CHADMN CCc1ncc(C[N@@H+](C)[C@H]2CCCc3ccccc32)cn1 ZINC000666293065 1125348931 /nfs/dbraw/zinc/34/89/31/1125348931.db2.gz XHHJOXKFQWVQOH-KRWDZBQOSA-N 0 1 281.403 3.548 20 0 CHADMN CCc1ncc(CN(C)[C@H]2CCCc3ccccc32)cn1 ZINC000666293065 1125348932 /nfs/dbraw/zinc/34/89/32/1125348932.db2.gz XHHJOXKFQWVQOH-KRWDZBQOSA-N 0 1 281.403 3.548 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc3cccnc32)cn1 ZINC001137179406 1125349336 /nfs/dbraw/zinc/34/93/36/1125349336.db2.gz QBTWEABBKATPNG-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@@H](C(F)F)C2)c(Cl)c1 ZINC000653593452 1125349371 /nfs/dbraw/zinc/34/93/71/1125349371.db2.gz AXZZHNBOWWCTDN-LLVKDONJSA-N 0 1 259.727 3.735 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(F)F)C2)c(Cl)c1 ZINC000653593452 1125349373 /nfs/dbraw/zinc/34/93/73/1125349373.db2.gz AXZZHNBOWWCTDN-LLVKDONJSA-N 0 1 259.727 3.735 20 0 CHADMN Cc1ccc2nc(CNC(=O)[C@@H]3CCC=CCCC3)[nH]c2c1 ZINC001126679461 1125349399 /nfs/dbraw/zinc/34/93/99/1125349399.db2.gz BWCZHEDELJAPFW-CQSZACIVSA-N 0 1 297.402 3.624 20 0 CHADMN CC(C)c1ccc(N(C)C(=O)c2c(O)cccc2F)cc1 ZINC000129842701 1125351947 /nfs/dbraw/zinc/35/19/47/1125351947.db2.gz YIJLBARXBLDXJA-UHFFFAOYSA-N 0 1 287.334 3.931 20 0 CHADMN Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC000263447654 1125359056 /nfs/dbraw/zinc/35/90/56/1125359056.db2.gz YHSHRIXUYZXKEL-OAHLLOKOSA-N 0 1 299.370 3.552 20 0 CHADMN CC(C)c1c[nH]c(CN[C@H](c2ccccc2)C2CC2)n1 ZINC000882881357 1125359611 /nfs/dbraw/zinc/35/96/11/1125359611.db2.gz JNWZSAWVEXGHDP-QGZVFWFLSA-N 0 1 269.392 3.774 20 0 CHADMN COCc1c(C)cc(C)c(CNCc2ccoc2)c1C ZINC000882914368 1125361802 /nfs/dbraw/zinc/36/18/02/1125361802.db2.gz QDCVQHPAXYOKJW-UHFFFAOYSA-N 0 1 273.376 3.641 20 0 CHADMN Cc1ccccc1-c1ccc(CCN2CCOCC2)cc1 ZINC001239502588 1131350604 /nfs/dbraw/zinc/35/06/04/1131350604.db2.gz CFKZBGRDKATSGM-UHFFFAOYSA-N 0 1 281.399 3.537 20 0 CHADMN C[C@H]1CCCC[N@H+]1Cc1c2ccccc2sc1C(=O)[O-] ZINC000037337304 1125367248 /nfs/dbraw/zinc/36/72/48/1125367248.db2.gz OMHAEODGSOUNBZ-NSHDSACASA-N 0 1 289.400 3.974 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccc(C)cc2OC)c1 ZINC000037680610 1125368722 /nfs/dbraw/zinc/36/87/22/1125368722.db2.gz YTRXBIUGWKQHMD-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN C[C@@H](NCc1csc(-c2ccccc2)n1)[C@@H]1CC1(F)F ZINC000666445054 1125370453 /nfs/dbraw/zinc/37/04/53/1125370453.db2.gz OLUMSMOYXYRCTB-MFKMUULPSA-N 0 1 294.370 3.943 20 0 CHADMN CC[C@@H]1c2ccsc2CCN1Cc1c(C)noc1C ZINC000053139677 1125370852 /nfs/dbraw/zinc/37/08/52/1125370852.db2.gz AKWCABYTWHAVSC-CQSZACIVSA-N 0 1 276.405 3.862 20 0 CHADMN CC[C@@H](Nc1cnn(-c2ccncc2)c1)C1CCCC1 ZINC000648497805 1125375267 /nfs/dbraw/zinc/37/52/67/1125375267.db2.gz LZDKRJSTFCIELD-MRXNPFEDSA-N 0 1 270.380 3.648 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)CC(F)F)n2)cc2nc[nH]c21 ZINC000351203435 1125376228 /nfs/dbraw/zinc/37/62/28/1125376228.db2.gz CWRHNKQZXBPHIP-QMMMGPOBSA-N 0 1 292.289 3.680 20 0 CHADMN CC(C)(CNCc1csc(C(F)(F)F)n1)C1CC1 ZINC000897435350 1125376796 /nfs/dbraw/zinc/37/67/96/1125376796.db2.gz KTFYDEAQGUNAKT-UHFFFAOYSA-N 0 1 278.343 3.688 20 0 CHADMN CC[C@@H](NCc1c[nH]nc1C)c1sccc1Cl ZINC000883205027 1125376976 /nfs/dbraw/zinc/37/69/76/1125376976.db2.gz NPSWPSBJEZWMRP-LLVKDONJSA-N 0 1 269.801 3.674 20 0 CHADMN C(=C/C1CCCC1)\c1nc(-c2ccn3cncc3c2)no1 ZINC000351408487 1125380777 /nfs/dbraw/zinc/38/07/77/1125380777.db2.gz KPZYNWUXPRICJD-AATRIKPKSA-N 0 1 280.331 3.588 20 0 CHADMN C/C=C/C[C@H]1CCCN(Cc2noc3c2CCCC3)C1 ZINC000626162377 1125380990 /nfs/dbraw/zinc/38/09/90/1125380990.db2.gz TUXCDWQIXDMUOV-HSWBROFVSA-N 0 1 274.408 3.732 20 0 CHADMN CCCCCc1cc(C(=O)N(CC)C2CCCC2)n[nH]1 ZINC000666555951 1125381505 /nfs/dbraw/zinc/38/15/05/1125381505.db2.gz AITRGPOTAYVAPS-UHFFFAOYSA-N 0 1 277.412 3.547 20 0 CHADMN CCn1cc([C@@H](C)NCc2cc(C3CC3)ccc2OC)cn1 ZINC000883265094 1125388877 /nfs/dbraw/zinc/38/88/77/1125388877.db2.gz RUZVSRHIYVOBLZ-CYBMUJFWSA-N 0 1 299.418 3.640 20 0 CHADMN CCCC[C@@H](COC)N[C@H](C)c1c(F)cccc1F ZINC000532448579 1125389210 /nfs/dbraw/zinc/38/92/10/1125389210.db2.gz GVIYQTWXDVHITG-NEPJUHHUSA-N 0 1 271.351 3.821 20 0 CHADMN Cc1ccc(CNCc2c(C)cccc2C)c(Cl)n1 ZINC000883292142 1125391995 /nfs/dbraw/zinc/39/19/95/1125391995.db2.gz DYUCIXHKLFSGMS-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN Cc1ccc(CNCc2cccc3c2CCC3)c(Cl)n1 ZINC000883293053 1125392292 /nfs/dbraw/zinc/39/22/92/1125392292.db2.gz IMMVGNMPHUNQNK-UHFFFAOYSA-N 0 1 286.806 3.822 20 0 CHADMN CC(C)(NCc1cncnc1)c1ccc(C(F)(F)F)cc1 ZINC000883324114 1125396178 /nfs/dbraw/zinc/39/61/78/1125396178.db2.gz JZROVPQFKURUEJ-UHFFFAOYSA-N 0 1 295.308 3.520 20 0 CHADMN CCCO[C@@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)CC1 ZINC000170989673 1125397817 /nfs/dbraw/zinc/39/78/17/1125397817.db2.gz PUMYWOCUQSPITB-CQSZACIVSA-N 0 1 282.815 3.516 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2ccnc(Cl)c2)CC1 ZINC000170989673 1125397819 /nfs/dbraw/zinc/39/78/19/1125397819.db2.gz PUMYWOCUQSPITB-CQSZACIVSA-N 0 1 282.815 3.516 20 0 CHADMN COc1cccc2c1OCCC[C@@H]2N[C@@H](C)c1ccoc1 ZINC000883331211 1125397995 /nfs/dbraw/zinc/39/79/95/1125397995.db2.gz UHEMYLCLAVWQET-WFASDCNBSA-N 0 1 287.359 3.853 20 0 CHADMN CC(C)[N@@H+](Cc1nnc(-c2ccccc2)o1)C1CCCC1 ZINC000170985800 1125398606 /nfs/dbraw/zinc/39/86/06/1125398606.db2.gz YJGRLWXBADMFOH-UHFFFAOYSA-N 0 1 285.391 3.890 20 0 CHADMN Cc1cc(C)c(NC(=O)CN(C)CC(C)(C)C)c(C)c1 ZINC000171082831 1125401618 /nfs/dbraw/zinc/40/16/18/1125401618.db2.gz FEIJBMUAVCCSJS-UHFFFAOYSA-N 0 1 276.424 3.528 20 0 CHADMN F[C@@H]1CCc2ccccc2[C@H]1NCc1[nH]nc2ccccc21 ZINC000883382805 1125406889 /nfs/dbraw/zinc/40/68/89/1125406889.db2.gz NORLDTMYQRLEAZ-CRAIPNDOSA-N 0 1 295.361 3.678 20 0 CHADMN Cc1cc(CN2CCOC3(CCCC3)C2)c2ccccc2n1 ZINC000532527875 1125408260 /nfs/dbraw/zinc/40/82/60/1125408260.db2.gz RJTJUCVNDOFQDN-UHFFFAOYSA-N 0 1 296.414 3.688 20 0 CHADMN CCC(CC)N(Cc1csc(N(C)C2CC2)n1)C1CC1 ZINC000532530165 1125409030 /nfs/dbraw/zinc/40/90/30/1125409030.db2.gz VQYAETHSFUSNSL-UHFFFAOYSA-N 0 1 293.480 3.895 20 0 CHADMN COc1cc(C)ccc1[C@H](C)N[C@@H](CO)c1ccccc1C ZINC000532549918 1125410578 /nfs/dbraw/zinc/41/05/78/1125410578.db2.gz IZBLYMZXVHFSRQ-YJBOKZPZSA-N 0 1 299.414 3.696 20 0 CHADMN CC1(C)Nc2ccccc2[C@@H]1NCc1ccccc1F ZINC000883462235 1125411420 /nfs/dbraw/zinc/41/14/20/1125411420.db2.gz MOELOFJJELFYIH-INIZCTEOSA-N 0 1 270.351 3.861 20 0 CHADMN CC(C)(C)n1cc(CN[C@H]2c3ccccc3NC2(C)C)cn1 ZINC000883464231 1125411691 /nfs/dbraw/zinc/41/16/91/1125411691.db2.gz IMROMVDEKKRYHH-INIZCTEOSA-N 0 1 298.434 3.673 20 0 CHADMN CCOc1ccccc1CN[C@@H](C)c1ccnc(Cl)c1 ZINC000132228757 1125415881 /nfs/dbraw/zinc/41/58/81/1125415881.db2.gz ILXPXTJIDDTVAU-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)N(C)Cc1cnn(CC)c1 ZINC000532575134 1125416314 /nfs/dbraw/zinc/41/63/14/1125416314.db2.gz CARGWMOPYAMFRO-INIZCTEOSA-N 0 1 275.371 3.625 20 0 CHADMN CCn1ccnc1CN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111305922 1125417016 /nfs/dbraw/zinc/41/70/16/1125417016.db2.gz OGMYVQMQQHFVEQ-AWEZNQCLSA-N 0 1 289.810 3.546 20 0 CHADMN CC1CCC([N@H+]2CCc3c(cnn3-c3ccccc3)C2)CC1 ZINC001168219564 1125418812 /nfs/dbraw/zinc/41/88/12/1125418812.db2.gz JYRZWXSYFRFPEV-UHFFFAOYSA-N 0 1 295.430 3.809 20 0 CHADMN Clc1ccccc1CNCc1ccc(-n2cccn2)cc1 ZINC000035018680 1125422121 /nfs/dbraw/zinc/42/21/21/1125422121.db2.gz DYWJHISBVRCPRE-UHFFFAOYSA-N 0 1 297.789 3.816 20 0 CHADMN CCCC[C@H]1CCC[C@H]1NC(=O)c1cccc2nc[nH]c21 ZINC000532606474 1125424707 /nfs/dbraw/zinc/42/47/07/1125424707.db2.gz LJRRIHUEWHNTCI-GXTWGEPZSA-N 0 1 285.391 3.652 20 0 CHADMN CCCC[C@H]1CCC[C@@H]1NC(=O)c1cccc2nc[nH]c21 ZINC000532606478 1125425231 /nfs/dbraw/zinc/42/52/31/1125425231.db2.gz LJRRIHUEWHNTCI-JSGCOSHPSA-N 0 1 285.391 3.652 20 0 CHADMN O=C(Nc1nc2ccc(Cl)cc2[nH]1)c1ccc(F)cc1 ZINC000225415047 1125425612 /nfs/dbraw/zinc/42/56/12/1125425612.db2.gz IPRASMAVGHCMRN-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN O=c1cc(C2CCCC2)[nH]n1Cc1ccc(Cl)cc1 ZINC000132882641 1125425943 /nfs/dbraw/zinc/42/59/43/1125425943.db2.gz KVJPUPKTBOEYTB-UHFFFAOYSA-N 0 1 276.767 3.619 20 0 CHADMN CCCN(C)[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000119281610 1125426383 /nfs/dbraw/zinc/42/63/83/1125426383.db2.gz MSYGQDYFHUEHEN-ZDUSSCGKSA-N 0 1 273.380 3.756 20 0 CHADMN C[C@@H](CC(=O)N[C@H]1CCCc2cn[nH]c21)C1CCCCC1 ZINC000332973108 1125428829 /nfs/dbraw/zinc/42/88/29/1125428829.db2.gz GCVZHFWFKWYUGH-WFASDCNBSA-N 0 1 289.423 3.510 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(F)cc1O ZINC000123824783 1125433120 /nfs/dbraw/zinc/43/31/20/1125433120.db2.gz JJMIZXNRSZXCGJ-OCCSQVGLSA-N 0 1 299.345 3.550 20 0 CHADMN CCN(Cc1ccccn1)[C@@H](C)c1cccc(OC)c1 ZINC000104948332 1125434248 /nfs/dbraw/zinc/43/42/48/1125434248.db2.gz ZVAHCBBNNMCZJW-AWEZNQCLSA-N 0 1 270.376 3.673 20 0 CHADMN Cc1ncccc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000124091249 1125434381 /nfs/dbraw/zinc/43/43/81/1125434381.db2.gz HFCNWBADPNNPQA-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN C[N@@H+](Cc1cccnc1)[C@H]1CCCc2ccccc21 ZINC000124195317 1125434913 /nfs/dbraw/zinc/43/49/13/1125434913.db2.gz OXRDFSMNALYLHV-KRWDZBQOSA-N 0 1 252.361 3.591 20 0 CHADMN Cn1ccc(CNCc2ccc(-c3ccncc3)cc2F)c1 ZINC000124257749 1125435805 /nfs/dbraw/zinc/43/58/05/1125435805.db2.gz OUBJMBWNNWABDP-UHFFFAOYSA-N 0 1 295.361 3.516 20 0 CHADMN CCCCN(CCCC)C(=O)c1cccc2n[nH]cc21 ZINC000042080665 1125438584 /nfs/dbraw/zinc/43/85/84/1125438584.db2.gz CJEJSRXMCNUDFH-UHFFFAOYSA-N 0 1 273.380 3.605 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H]3CCCC(F)(F)C3)ccc12 ZINC000282857802 1125449017 /nfs/dbraw/zinc/44/90/17/1125449017.db2.gz WZUGLUKYZRQYPD-JTQLQIEISA-N 0 1 293.317 3.635 20 0 CHADMN CCn1nccc1CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000126273194 1125454143 /nfs/dbraw/zinc/45/41/43/1125454143.db2.gz NJFSTSDBHNYTNC-GOSISDBHSA-N 0 1 281.403 3.555 20 0 CHADMN CCCN(Cc1cn(CC)nn1)[C@H](CC)c1ccccc1 ZINC000883998899 1125455217 /nfs/dbraw/zinc/45/52/17/1125455217.db2.gz GAODGYZAMWRKPZ-QGZVFWFLSA-N 0 1 286.423 3.661 20 0 CHADMN CC(C)CCc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635450612 1129182473 /nfs/dbraw/zinc/18/24/73/1129182473.db2.gz UPTMIOXGAOMBTE-HUUCEWRRSA-N 0 1 297.402 3.741 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN(C)CCOC(C)(C)C)o1 ZINC000621729923 1129187509 /nfs/dbraw/zinc/18/75/09/1129187509.db2.gz GTKGGCUPIOJDKP-GXTWGEPZSA-N 0 1 265.397 3.650 20 0 CHADMN Cc1nccnc1CN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000621730809 1129187940 /nfs/dbraw/zinc/18/79/40/1129187940.db2.gz VRORXBCMGFWLJG-GOSISDBHSA-N 0 1 293.414 3.902 20 0 CHADMN CC[C@@H](C(=O)N(C)Cc1cn[nH]c1C)C1CCC(C)CC1 ZINC000636069021 1129198174 /nfs/dbraw/zinc/19/81/74/1129198174.db2.gz XYTJJBJIMZYGBR-LDZOIKDWSA-N 0 1 291.439 3.529 20 0 CHADMN Fc1cc2nn[nH]c2cc1-c1cccc(C(F)(F)F)c1 ZINC001239515776 1131357623 /nfs/dbraw/zinc/35/76/23/1131357623.db2.gz GYOSFAPGAOGGCX-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN Clc1ncc(CNCc2cccc(C3CC3)c2)s1 ZINC000718146514 1129206955 /nfs/dbraw/zinc/20/69/55/1129206955.db2.gz WCCXBZVIIHENHZ-UHFFFAOYSA-N 0 1 278.808 3.964 20 0 CHADMN COc1ccc(CN[C@H](C)c2csc(C)c2)c(OC)c1 ZINC000294290859 1129214977 /nfs/dbraw/zinc/21/49/77/1129214977.db2.gz UEEARRXJDIKNFU-GFCCVEGCSA-N 0 1 291.416 3.925 20 0 CHADMN CO[C@@H]1CC=C(Nc2cnc(-c3ccccc3)cn2)CC1 ZINC001212871849 1129216833 /nfs/dbraw/zinc/21/68/33/1129216833.db2.gz DMOVXQPADIQCCP-OAHLLOKOSA-N 0 1 281.359 3.638 20 0 CHADMN Cn1ccnc1[C@H](C1CC1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000637865734 1129232493 /nfs/dbraw/zinc/23/24/93/1129232493.db2.gz DSEUCGQDKWNOAH-HIFRSBDPSA-N 0 1 287.432 3.770 20 0 CHADMN Cn1ccnc1[C@H](C1CC1)N1CCC[C@@H]1c1cccs1 ZINC000637865734 1129232495 /nfs/dbraw/zinc/23/24/95/1129232495.db2.gz DSEUCGQDKWNOAH-HIFRSBDPSA-N 0 1 287.432 3.770 20 0 CHADMN C[C@@H]1c2ccsc2CCN1Cc1ccc2nccnc2c1 ZINC000637876808 1129233714 /nfs/dbraw/zinc/23/37/14/1129233714.db2.gz UTKPUQSQMIPPEN-GFCCVEGCSA-N 0 1 295.411 3.811 20 0 CHADMN c1cc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)sn1 ZINC000637894477 1129234581 /nfs/dbraw/zinc/23/45/81/1129234581.db2.gz SXDQMWYYUNOFMR-GFCCVEGCSA-N 0 1 299.399 3.664 20 0 CHADMN c1cc(CN2CCC[C@H](c3nc4ccccc4o3)C2)sn1 ZINC000637894478 1129234704 /nfs/dbraw/zinc/23/47/04/1129234704.db2.gz SXDQMWYYUNOFMR-LBPRGKRZSA-N 0 1 299.399 3.664 20 0 CHADMN CCN(Cc1ccc(OC)cc1)[C@@H](C)c1cnc(C)nc1C ZINC000637913717 1129237111 /nfs/dbraw/zinc/23/71/11/1129237111.db2.gz DFKWTILJIDOELO-AWEZNQCLSA-N 0 1 299.418 3.685 20 0 CHADMN Cc1ccc(CN2CCC(OC(C)C)CC2)c(F)c1 ZINC000637962448 1129237789 /nfs/dbraw/zinc/23/77/89/1129237789.db2.gz BPXNLXBWKXMRPD-UHFFFAOYSA-N 0 1 265.372 3.524 20 0 CHADMN Cc1ncc([C@H](C)N2CCC[C@H]2c2ccc(O)cc2)c(C)n1 ZINC000637970705 1129239246 /nfs/dbraw/zinc/23/92/46/1129239246.db2.gz HLSORMODXRADDT-UGSOOPFHSA-N 0 1 297.402 3.697 20 0 CHADMN Cc1ncc([C@@H](C)N2CCC[C@@H]2c2ccc(O)cc2)c(C)n1 ZINC000637970702 1129239495 /nfs/dbraw/zinc/23/94/95/1129239495.db2.gz HLSORMODXRADDT-FZKQIMNGSA-N 0 1 297.402 3.697 20 0 CHADMN C[C@H](c1cccc(O)c1)N(C)Cc1ccc(C(F)F)nc1 ZINC000638064172 1129241026 /nfs/dbraw/zinc/24/10/26/1129241026.db2.gz JFVLOMOLWLIOTQ-LLVKDONJSA-N 0 1 292.329 3.918 20 0 CHADMN Cc1ncc([C@H](C)N2CCS[C@@H]3CCCC[C@@H]32)c(C)n1 ZINC000638120434 1129245237 /nfs/dbraw/zinc/24/52/37/1129245237.db2.gz GDMONLNCOFTDSZ-VBNZEHGJSA-N 0 1 291.464 3.514 20 0 CHADMN CCCC(C)(C)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000622337722 1129250736 /nfs/dbraw/zinc/25/07/36/1129250736.db2.gz HWNXSWAOZIMAPX-UHFFFAOYSA-N 0 1 289.297 3.720 20 0 CHADMN COc1ccc(C)cc1CNCc1c(C)cccc1OC ZINC000638326915 1129254407 /nfs/dbraw/zinc/25/44/07/1129254407.db2.gz VMPXTPOKYYTPJB-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN Cc1oc2ccccc2c1C(=O)Nc1cc(C#N)ccc1O ZINC000184841099 1129255658 /nfs/dbraw/zinc/25/56/58/1129255658.db2.gz WPXBISCKTUCDSA-UHFFFAOYSA-N 0 1 292.294 3.571 20 0 CHADMN CCOc1ccccc1[C@H](CC)NCc1ccns1 ZINC000638472864 1129260255 /nfs/dbraw/zinc/26/02/55/1129260255.db2.gz XPRQWFLANKNYIN-AWEZNQCLSA-N 0 1 276.405 3.783 20 0 CHADMN CC(C)COC[C@H](N[C@@H](C)[C@@H]1CC1(F)F)c1ccco1 ZINC000638475124 1129260341 /nfs/dbraw/zinc/26/03/41/1129260341.db2.gz TVFVUPSYIBTYAQ-AVGNSLFASA-N 0 1 287.350 3.627 20 0 CHADMN COc1ncc(CN[C@H](CC2CC2)c2ccccc2)s1 ZINC000638630418 1129263993 /nfs/dbraw/zinc/26/39/93/1129263993.db2.gz MENFYUJTDDDYIQ-OAHLLOKOSA-N 0 1 288.416 3.783 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cc2ccccc2n1C ZINC000638638984 1129264489 /nfs/dbraw/zinc/26/44/89/1129264489.db2.gz MFSNQYPHKHSAHQ-NSHDSACASA-N 0 1 283.375 3.634 20 0 CHADMN CSc1cc(C)ccc1CNCc1cccc(F)c1N ZINC000638749756 1129268300 /nfs/dbraw/zinc/26/83/00/1129268300.db2.gz QDEOAOIIQKPXFA-UHFFFAOYSA-N 0 1 290.407 3.728 20 0 CHADMN C[C@H](N(C)CN1Cc2c(cccc2Cl)C1=O)C(C)(C)C ZINC000795408051 1129268837 /nfs/dbraw/zinc/26/88/37/1129268837.db2.gz GTDJSVWMGQKFSC-NSHDSACASA-N 0 1 294.826 3.620 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1N[C@H](c1nccn1C)C1CC1 ZINC000638821852 1129271189 /nfs/dbraw/zinc/27/11/89/1129271189.db2.gz BSHFPYROHSSXSW-BVGQSLNGSA-N 0 1 295.430 3.784 20 0 CHADMN Cc1cnc(CNCC2(Cc3ccccc3)CCCC2)o1 ZINC000638916004 1129274831 /nfs/dbraw/zinc/27/48/31/1129274831.db2.gz TVULZCQQYFHLMQ-UHFFFAOYSA-N 0 1 284.403 3.876 20 0 CHADMN C[C@H]1SCCN(Cc2cccc(C(F)F)c2)[C@@H]1C ZINC000348027694 1129275034 /nfs/dbraw/zinc/27/50/34/1129275034.db2.gz FXDVEVKEIYMQRI-GHMZBOCLSA-N 0 1 271.376 3.950 20 0 CHADMN C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1cccc(F)c1N ZINC000638968057 1129275701 /nfs/dbraw/zinc/27/57/01/1129275701.db2.gz FXQRFEANURREPO-KOLCDFICSA-N 0 1 290.304 3.571 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(C)cc(Cl)n2)cc1 ZINC000282683879 1129276877 /nfs/dbraw/zinc/27/68/77/1129276877.db2.gz JVHUZYVTCAYZIR-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@H](c1ccncc1)N(C)[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000639041059 1129278085 /nfs/dbraw/zinc/27/80/85/1129278085.db2.gz QLOULHATQFEMAG-CZUORRHYSA-N 0 1 299.422 3.514 20 0 CHADMN Cc1cc(CN2CCC(c3ccsc3)CC2)sn1 ZINC000639061946 1129279113 /nfs/dbraw/zinc/27/91/13/1129279113.db2.gz UFKFOHAOPMUYHZ-UHFFFAOYSA-N 0 1 278.446 3.893 20 0 CHADMN C[C@]12CCCC[C@H]1CN2Cc1nccn1Cc1ccccc1 ZINC000626105012 1129281220 /nfs/dbraw/zinc/28/12/20/1129281220.db2.gz OSHHDWIJPJRTPQ-HKUYNNGSSA-N 0 1 295.430 3.696 20 0 CHADMN FC1(c2ccccc2)CCN(Cc2ccns2)CC1 ZINC000639112833 1129283198 /nfs/dbraw/zinc/28/31/98/1129283198.db2.gz QNYZHTDCBMLGLA-UHFFFAOYSA-N 0 1 276.380 3.604 20 0 CHADMN CCC[C@@H](CNCc1c(F)ccc(F)c1Cl)OC ZINC000705556238 1129283355 /nfs/dbraw/zinc/28/33/55/1129283355.db2.gz SYXWPNRRYDTVLW-VIFPVBQESA-N 0 1 277.742 3.523 20 0 CHADMN C[C@H](N[C@H](c1nnc[nH]1)C1CCCCC1)c1ccsc1 ZINC000639142168 1129286930 /nfs/dbraw/zinc/28/69/30/1129286930.db2.gz VUFCIQQDMAQYDG-FZMZJTMJSA-N 0 1 290.436 3.838 20 0 CHADMN FC(F)c1ccc(CN2CCC=C(c3ccco3)C2)cn1 ZINC000639157557 1129287390 /nfs/dbraw/zinc/28/73/90/1129287390.db2.gz QBHOLLBHGWUHCO-UHFFFAOYSA-N 0 1 290.313 3.902 20 0 CHADMN C[C@@H](NCc1nccc(C(F)F)n1)[C@@H]1CC2CCC1CC2 ZINC000639183656 1129290438 /nfs/dbraw/zinc/29/04/38/1129290438.db2.gz CKKRCZYSLZGLNG-XVSSEFHLSA-N 0 1 295.377 3.719 20 0 CHADMN Cc1cnc(CNCC(C)(C)c2ccc(C)cc2C)o1 ZINC000639200579 1129292164 /nfs/dbraw/zinc/29/21/64/1129292164.db2.gz KNGKBCXPMGDWNG-UHFFFAOYSA-N 0 1 272.392 3.667 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](c2nccn2C)C2CC2)ccc1F ZINC000639218321 1129294099 /nfs/dbraw/zinc/29/40/99/1129294099.db2.gz YSCMYNOOBZDGSE-MLGOLLRUSA-N 0 1 287.382 3.670 20 0 CHADMN Cc1nonc1CN1CCC[C@H]1c1cccc2ccccc21 ZINC000734146051 1129296845 /nfs/dbraw/zinc/29/68/45/1129296845.db2.gz GOHYVOCMWFOTLT-SFHVURJKSA-N 0 1 293.370 3.868 20 0 CHADMN FC(F)c1ccc(CN2CC(C3CCCC3)C2)cn1 ZINC000639254544 1129297152 /nfs/dbraw/zinc/29/71/52/1129297152.db2.gz YYMQRMCVCSDOIP-UHFFFAOYSA-N 0 1 266.335 3.641 20 0 CHADMN Cc1cc(C)cc(-c2ccccc2CN2CCOCC2)c1 ZINC001239525360 1131364600 /nfs/dbraw/zinc/36/46/00/1131364600.db2.gz RRUYDCBRLOHXTA-UHFFFAOYSA-N 0 1 281.399 3.803 20 0 CHADMN Cc1cc(CNC2(c3cccc(C)c3)CCC2)sn1 ZINC000639282442 1129298937 /nfs/dbraw/zinc/29/89/37/1129298937.db2.gz CUZSLJWFOZJDNV-UHFFFAOYSA-N 0 1 272.417 3.929 20 0 CHADMN Cc1cc(CNC2(c3ccccc3C)CCC2)sn1 ZINC000639288307 1129299666 /nfs/dbraw/zinc/29/96/66/1129299666.db2.gz FZQZFJQVQLKTMJ-UHFFFAOYSA-N 0 1 272.417 3.929 20 0 CHADMN FC(F)c1ccc(CN2CCC(c3ccco3)CC2)cn1 ZINC000639306950 1129301979 /nfs/dbraw/zinc/30/19/79/1129301979.db2.gz XSAVABFRCWIYKX-UHFFFAOYSA-N 0 1 292.329 3.992 20 0 CHADMN CC(C)[C@H](NCc1ccns1)c1ccccc1F ZINC000639309566 1129302011 /nfs/dbraw/zinc/30/20/11/1129302011.db2.gz CLFHWQRXYQOWIK-AWEZNQCLSA-N 0 1 264.369 3.769 20 0 CHADMN CC[C@@](C)(NCc1cccnc1OC)c1ccc(F)cc1 ZINC000639358904 1129306081 /nfs/dbraw/zinc/30/60/81/1129306081.db2.gz DRFJZHWZBFHMMU-QGZVFWFLSA-N 0 1 288.366 3.644 20 0 CHADMN Cc1ccc(CN2CC[C@@H](O)C[C@H]2c2ccccc2)cc1F ZINC000639366978 1129307560 /nfs/dbraw/zinc/30/75/60/1129307560.db2.gz OISSTIQSOHXOKY-MJGOQNOKSA-N 0 1 299.389 3.832 20 0 CHADMN COCC1(C2CC2)CN(Cc2ccc(C)cc2Cl)C1 ZINC000639382962 1129308434 /nfs/dbraw/zinc/30/84/34/1129308434.db2.gz MXAAZOVXHJEODD-UHFFFAOYSA-N 0 1 279.811 3.507 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN(Cc2cc[nH]c(=O)c2)C2CC2)o1 ZINC000639433474 1129314032 /nfs/dbraw/zinc/31/40/32/1129314032.db2.gz NZNXIAZEDWLYPA-WBMJQRKESA-N 0 1 298.386 3.668 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN(Cc2cc[nH]c(=O)c2)C2CC2)o1 ZINC000639433471 1129314219 /nfs/dbraw/zinc/31/42/19/1129314219.db2.gz NZNXIAZEDWLYPA-BLLLJJGKSA-N 0 1 298.386 3.668 20 0 CHADMN CC(C)(CCc1ccccc1)NCc1nc(CC2CC2)no1 ZINC000639471586 1129318137 /nfs/dbraw/zinc/31/81/37/1129318137.db2.gz QQHSRCXUIIUJRL-UHFFFAOYSA-N 0 1 299.418 3.523 20 0 CHADMN CC(C)(CCc1ccccc1)NCc1nc(C2CCC2)no1 ZINC000639471495 1129318661 /nfs/dbraw/zinc/31/86/61/1129318661.db2.gz PFRBYSJJUONRJP-UHFFFAOYSA-N 0 1 299.418 3.838 20 0 CHADMN Cc1cc(C)c(C[N@H+]2CCC[C@H]2c2ccccn2)c(C)n1 ZINC000639513191 1129320254 /nfs/dbraw/zinc/32/02/54/1129320254.db2.gz DVWGKGMGPYNQMO-SFHVURJKSA-N 0 1 281.403 3.739 20 0 CHADMN C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H]1CCO[C@H]1C ZINC000639520012 1129321099 /nfs/dbraw/zinc/32/10/99/1129321099.db2.gz QIWCCNHZEUQCKF-AVGNSLFASA-N 0 1 290.432 3.714 20 0 CHADMN CC(=O)CN[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000639588054 1129325051 /nfs/dbraw/zinc/32/50/51/1129325051.db2.gz NPCROHKMCYKXIQ-NSHDSACASA-N 0 1 261.752 3.733 20 0 CHADMN Cc1ncc2c(n1)CCC[C@H]2N[C@@H](C)c1ccc(F)cc1 ZINC000734850768 1129325338 /nfs/dbraw/zinc/32/53/38/1129325338.db2.gz MUERMCARKBCHRX-MEDUHNTESA-N 0 1 285.366 3.652 20 0 CHADMN CC(C)c1n[nH]c(COC(=O)CC2CCC(C)(C)CC2)n1 ZINC000795479241 1129327366 /nfs/dbraw/zinc/32/73/66/1129327366.db2.gz JKNQSRCYECWZTA-UHFFFAOYSA-N 0 1 293.411 3.578 20 0 CHADMN CC(C)c1nc(COC(=O)CC2CCC(C)(C)CC2)n[nH]1 ZINC000795479241 1129327368 /nfs/dbraw/zinc/32/73/68/1129327368.db2.gz JKNQSRCYECWZTA-UHFFFAOYSA-N 0 1 293.411 3.578 20 0 CHADMN CC1(C)CO[C@@H](CN2CC3(CCC3)[C@@H]2c2ccco2)C1 ZINC000639664643 1129329154 /nfs/dbraw/zinc/32/91/54/1129329154.db2.gz ILCIFJPEHRLXOB-HIFRSBDPSA-N 0 1 275.392 3.622 20 0 CHADMN Fc1cccc(C[N@H+]2CCC[C@H](c3cccnc3)C2)c1F ZINC000639697224 1129329519 /nfs/dbraw/zinc/32/95/19/1129329519.db2.gz DERWCWWUHDYSOQ-AWEZNQCLSA-N 0 1 288.341 3.739 20 0 CHADMN Fc1cccc(CN2CCC[C@H](c3cccnc3)C2)c1F ZINC000639697224 1129329523 /nfs/dbraw/zinc/32/95/23/1129329523.db2.gz DERWCWWUHDYSOQ-AWEZNQCLSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1nc(C[N@H+]2CCC[C@H](c3cccnc3)C2)sc1C ZINC000639689477 1129330386 /nfs/dbraw/zinc/33/03/86/1129330386.db2.gz BDYSAJCNRAIKMB-HNNXBMFYSA-N 0 1 287.432 3.535 20 0 CHADMN Cc1nc(CN2CCC[C@H](c3cccnc3)C2)sc1C ZINC000639689477 1129330391 /nfs/dbraw/zinc/33/03/91/1129330391.db2.gz BDYSAJCNRAIKMB-HNNXBMFYSA-N 0 1 287.432 3.535 20 0 CHADMN Fc1ccc(CCN(C/C=C\Cl)C2CC2)cc1 ZINC000735168109 1129333959 /nfs/dbraw/zinc/33/39/59/1129333959.db2.gz HYDYTYMTMACBPO-OQYWKCLKSA-N 0 1 253.748 3.585 20 0 CHADMN COc1cc(F)cc(CN[C@H](C)c2ccnc(Cl)c2)c1 ZINC000090972391 1129337811 /nfs/dbraw/zinc/33/78/11/1129337811.db2.gz GKIWCDBLBPZSMK-SNVBAGLBSA-N 0 1 294.757 3.734 20 0 CHADMN Cc1nc(CNCc2c(C)cccc2C)sc1C ZINC000091061452 1129343377 /nfs/dbraw/zinc/34/33/77/1129343377.db2.gz UFGSVQFWIHGWOJ-UHFFFAOYSA-N 0 1 260.406 3.667 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)COc2ccccc2)cs1 ZINC000772857728 1131367725 /nfs/dbraw/zinc/36/77/25/1131367725.db2.gz VFTPRIZHLFXHBY-NEPJUHHUSA-N 0 1 276.405 3.570 20 0 CHADMN C[C@](CO)(NC/C=C\Cl)c1cc(Cl)cc(Cl)c1 ZINC000832303815 1129345268 /nfs/dbraw/zinc/34/52/68/1129345268.db2.gz PXFSIFFKLQYMPZ-ZZKXABKFSA-N 0 1 294.609 3.543 20 0 CHADMN C[C@@](CO)(NC/C=C\Cl)c1cc(Cl)cc(Cl)c1 ZINC000832303812 1129345331 /nfs/dbraw/zinc/34/53/31/1129345331.db2.gz PXFSIFFKLQYMPZ-DLGQBQFBSA-N 0 1 294.609 3.543 20 0 CHADMN CCCCC[C@@H](CC)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795511658 1129345496 /nfs/dbraw/zinc/34/54/96/1129345496.db2.gz QWZSZWRNDRVRPT-GFCCVEGCSA-N 0 1 281.400 3.578 20 0 CHADMN C[C@](CO)(NC/C=C/Cl)c1cc(Cl)cc(Cl)c1 ZINC000832303814 1129345466 /nfs/dbraw/zinc/34/54/66/1129345466.db2.gz PXFSIFFKLQYMPZ-QAVQXKDTSA-N 0 1 294.609 3.543 20 0 CHADMN CC(C)CCN(C(=O)c1cccc(F)c1O)C1CCCC1 ZINC001124938766 1131367859 /nfs/dbraw/zinc/36/78/59/1131367859.db2.gz BYRFSVJBNZZPRS-UHFFFAOYSA-N 0 1 293.382 3.962 20 0 CHADMN CCCCCCN(C)CC(=O)N(CC)c1ccccc1C ZINC000735649616 1129355211 /nfs/dbraw/zinc/35/52/11/1129355211.db2.gz IBTGRGRJIHSTGG-UHFFFAOYSA-N 0 1 290.451 3.860 20 0 CHADMN c1ccc([C@H]2N(CC3=NOCC3)CC23CCCCC3)cc1 ZINC001170981057 1131368529 /nfs/dbraw/zinc/36/85/29/1131368529.db2.gz PQFBJLJQRXFXHZ-QGZVFWFLSA-N 0 1 284.403 3.770 20 0 CHADMN c1cc(-c2noc([C@@H]3CC[C@@H]4CCCC[C@@H]4N3)n2)cs1 ZINC000091355369 1129356302 /nfs/dbraw/zinc/35/63/02/1129356302.db2.gz UECHZSXNCDLMLR-DRZSPHRISA-N 0 1 289.404 3.781 20 0 CHADMN c1ccc([C@@H]2N(CC3=NOCC3)CC23CCCCC3)cc1 ZINC001170981056 1131368732 /nfs/dbraw/zinc/36/87/32/1131368732.db2.gz PQFBJLJQRXFXHZ-KRWDZBQOSA-N 0 1 284.403 3.770 20 0 CHADMN CC(C)c1cnc(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)o1 ZINC000735872012 1129359439 /nfs/dbraw/zinc/35/94/39/1129359439.db2.gz TWUADXDDIAYVSF-HZSPNIEDSA-N 0 1 262.397 3.951 20 0 CHADMN FC(F)(F)c1ccc2c(c1)nccc2NC1CCOCC1 ZINC000178513153 1129360268 /nfs/dbraw/zinc/36/02/68/1129360268.db2.gz HOYPQCXQROCOHF-UHFFFAOYSA-N 0 1 296.292 3.845 20 0 CHADMN CC(C)C1CN(C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000795547405 1129362582 /nfs/dbraw/zinc/36/25/82/1129362582.db2.gz QVAVMTCHZGAPRF-AWEZNQCLSA-N 0 1 288.218 3.615 20 0 CHADMN CCCC[C@H](CC)Cn1cc([C@@H](N)c2ccccc2)nn1 ZINC000640752733 1129366054 /nfs/dbraw/zinc/36/60/54/1129366054.db2.gz FCZQIHDPUFZFAV-YOEHRIQHSA-N 0 1 286.423 3.543 20 0 CHADMN CC[C@H](NCc1cn2cc(C)ccc2n1)c1cccs1 ZINC000178725961 1129376351 /nfs/dbraw/zinc/37/63/51/1129376351.db2.gz NUBDJIPCIZRQAS-AWEZNQCLSA-N 0 1 285.416 3.945 20 0 CHADMN CC(C)n1ccn(CN2CCCCC[C@H]2C)c1=S ZINC000738225620 1129391148 /nfs/dbraw/zinc/39/11/48/1129391148.db2.gz IDKHHDNVRGUABW-CYBMUJFWSA-N 0 1 267.442 3.822 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1nnc(C(C)(C)C)o1 ZINC000738314743 1129392601 /nfs/dbraw/zinc/39/26/01/1129392601.db2.gz RHZKHLICCZFSOF-OLZOCXBDSA-N 0 1 279.428 3.768 20 0 CHADMN CC(C)c1cnc(CN2CCC3(CCCC3)CC2)o1 ZINC000738343919 1129394204 /nfs/dbraw/zinc/39/42/04/1129394204.db2.gz RZUNWOHPBPQTTE-UHFFFAOYSA-N 0 1 262.397 3.954 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(F)c(F)c2)c1 ZINC000641934738 1129397661 /nfs/dbraw/zinc/39/76/61/1129397661.db2.gz PCXJOOZUYVFYMB-UHFFFAOYSA-N 0 1 261.315 3.905 20 0 CHADMN C[C@@H](c1ccccc1)N1CCO[C@H](c2ccccc2)C1 ZINC000641959465 1129398658 /nfs/dbraw/zinc/39/86/58/1129398658.db2.gz FSZAGRFVAMJNAL-YJBOKZPZSA-N 0 1 267.372 3.821 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)Cc2ncc(C(C)(C)C)o2)C1 ZINC000642189885 1129409268 /nfs/dbraw/zinc/40/92/68/1129409268.db2.gz ACEZFGKREGBUBD-QWHCGFSZSA-N 0 1 264.413 3.983 20 0 CHADMN FC(F)(F)c1cnccc1NCCC1=CCCCC1 ZINC001168771774 1129411035 /nfs/dbraw/zinc/41/10/35/1129411035.db2.gz HZEVQKQJMBOZPD-UHFFFAOYSA-N 0 1 270.298 3.825 20 0 CHADMN Cc1ccccc1-c1noc(CN(C)[C@@H](C)C(C)C)n1 ZINC000642253163 1129411900 /nfs/dbraw/zinc/41/19/00/1129411900.db2.gz HOJCHWYOYAQXGQ-ZDUSSCGKSA-N 0 1 273.380 3.521 20 0 CHADMN CCN(CC(=O)N(C)C1CCC(C(C)(C)C)CC1)C1CC1 ZINC000642329900 1129414320 /nfs/dbraw/zinc/41/43/20/1129414320.db2.gz NQXDEZWSRKIECY-UHFFFAOYSA-N 0 1 294.483 3.534 20 0 CHADMN c1ccc(Oc2cc(CNCc3cccnc3)ccn2)cc1 ZINC000642341319 1129414898 /nfs/dbraw/zinc/41/48/98/1129414898.db2.gz LZGLUUSYLWNYKV-UHFFFAOYSA-N 0 1 291.354 3.559 20 0 CHADMN C[C@H]1CCCC[C@@H]1OCCN(C)Cc1ccc(F)c(F)c1 ZINC000642526257 1129419228 /nfs/dbraw/zinc/41/92/28/1129419228.db2.gz LHTHRZZFGJXRID-GUYCJALGSA-N 0 1 297.389 3.992 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H](CCO)c2cccs2)o1 ZINC000740900376 1129423986 /nfs/dbraw/zinc/42/39/86/1129423986.db2.gz OPJIPGJHESPYCF-XBFCOCLRSA-N 0 1 291.416 3.678 20 0 CHADMN C[C@@H](OC(=O)[C@H](C)N1CCCCCC1)c1ccc(F)cc1 ZINC000741030501 1129426418 /nfs/dbraw/zinc/42/64/18/1129426418.db2.gz WXDOUEJMCNMSJH-UONOGXRCSA-N 0 1 293.382 3.694 20 0 CHADMN C[C@@H](OC(=O)[C@H](C)N1CCCCCC1)c1cccc(F)c1 ZINC000741028217 1129427511 /nfs/dbraw/zinc/42/75/11/1129427511.db2.gz DXTQQGVPJHPXTE-UONOGXRCSA-N 0 1 293.382 3.694 20 0 CHADMN C[C@@H](C(=O)OCc1cccc(Cl)c1)N1CCCCCC1 ZINC000741029330 1129427674 /nfs/dbraw/zinc/42/76/74/1129427674.db2.gz NNDQZLHPGVZNAM-ZDUSSCGKSA-N 0 1 295.810 3.648 20 0 CHADMN Cc1n[nH]c(C2CC2)c1-c1nc(-c2ccc(F)c(C)c2)no1 ZINC001212958737 1129429828 /nfs/dbraw/zinc/42/98/28/1129429828.db2.gz JZJTWLYAORAJAP-UHFFFAOYSA-N 0 1 298.321 3.760 20 0 CHADMN Cc1n[nH]c(C2CC2)c1-c1nc(-c2cc(C)ccc2F)no1 ZINC001212959187 1129430121 /nfs/dbraw/zinc/43/01/21/1129430121.db2.gz XRSBBHXVMOZQRD-UHFFFAOYSA-N 0 1 298.321 3.760 20 0 CHADMN COC(=O)c1cnc2[nH]cc(NCCC3=CCCCC3)cc1-2 ZINC001168772389 1129432988 /nfs/dbraw/zinc/43/29/88/1129432988.db2.gz SXLFHXBQRQFZLP-UHFFFAOYSA-N 0 1 299.374 3.652 20 0 CHADMN Cc1nc(CNC2CC3(C2)CCCCC3)cs1 ZINC000643287217 1129435219 /nfs/dbraw/zinc/43/52/19/1129435219.db2.gz MZRORAQBMGDGHR-UHFFFAOYSA-N 0 1 250.411 3.654 20 0 CHADMN Cc1cc(CN2CC(C3CC3)C2)c(OC(F)F)cc1C ZINC000643345602 1129439131 /nfs/dbraw/zinc/43/91/31/1129439131.db2.gz ATHMUFFQJIRIPA-UHFFFAOYSA-N 0 1 281.346 3.747 20 0 CHADMN Fc1ccccc1C1CN(Cc2nccc3ccccc32)C1 ZINC000643354916 1129439849 /nfs/dbraw/zinc/43/98/49/1129439849.db2.gz KGICSNJKKBYTLZ-UHFFFAOYSA-N 0 1 292.357 3.973 20 0 CHADMN c1csc(-c2ccn(CN3CCC4(CCC4)CC3)n2)c1 ZINC000795715748 1129440527 /nfs/dbraw/zinc/44/05/27/1129440527.db2.gz FKWCWNBMAZXUFY-UHFFFAOYSA-N 0 1 287.432 3.835 20 0 CHADMN Clc1ccccc1Cn1ccnc1NCc1ccoc1 ZINC000795805990 1129448230 /nfs/dbraw/zinc/44/82/30/1129448230.db2.gz QLWPYGYXMUTVFH-UHFFFAOYSA-N 0 1 287.750 3.790 20 0 CHADMN CCc1cc(Br)ccc1CN1CCCC1 ZINC000143033281 1129452054 /nfs/dbraw/zinc/45/20/54/1129452054.db2.gz ZNWGFWKVBLMJBQ-UHFFFAOYSA-N 0 1 268.198 3.607 20 0 CHADMN CCCCOC(=O)[C@H](C)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000741789203 1129452879 /nfs/dbraw/zinc/45/28/79/1129452879.db2.gz XVPCPOPLOVMIGY-HLLBOEOZSA-N 0 1 289.419 3.596 20 0 CHADMN CN(C/C=C\Cl)Cc1ccc(OCC(F)(F)F)cc1 ZINC000796105949 1129466704 /nfs/dbraw/zinc/46/67/04/1129466704.db2.gz FJKXABZVXWNSFW-UQCOIBPSSA-N 0 1 293.716 3.812 20 0 CHADMN CC(=O)CCN(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000796122450 1129467817 /nfs/dbraw/zinc/46/78/17/1129467817.db2.gz HPZWLMXRVOQCNS-UHFFFAOYSA-N 0 1 283.774 3.670 20 0 CHADMN Cc1nc2cccc(-c3c(F)cc(F)cc3F)c2[nH]1 ZINC001241172408 1129470109 /nfs/dbraw/zinc/47/01/09/1129470109.db2.gz RIYNDEWHWATXJE-UHFFFAOYSA-N 0 1 262.234 3.956 20 0 CHADMN Cc1ccc(C)c(-c2cc(N3CCCC3)ccn2)c1 ZINC001241189940 1129472489 /nfs/dbraw/zinc/47/24/89/1129472489.db2.gz RMOMGHSRGHGRMX-UHFFFAOYSA-N 0 1 252.361 3.966 20 0 CHADMN Cc1cccc(F)c1CNCc1cc2ccccc2[nH]c1=O ZINC000742380688 1129472870 /nfs/dbraw/zinc/47/28/70/1129472870.db2.gz ILFZSEJDGVXNGW-UHFFFAOYSA-N 0 1 296.345 3.678 20 0 CHADMN CC(C)O[C@H](CN1CC[C@@H](C)[C@H](F)C1)c1ccccc1 ZINC000644682241 1129474625 /nfs/dbraw/zinc/47/46/25/1129474625.db2.gz XJOBEXNKGBQPMM-DJIMGWMZSA-N 0 1 279.399 3.833 20 0 CHADMN Fc1cc(F)cc(CN2CCC(C3CC3)CC2)c1 ZINC000644719342 1129475964 /nfs/dbraw/zinc/47/59/64/1129475964.db2.gz VKFBORVKCZFABT-UHFFFAOYSA-N 0 1 251.320 3.587 20 0 CHADMN Cc1cccc(F)c1CNCc1c[nH]nc1-c1ccccc1 ZINC000742380002 1129476134 /nfs/dbraw/zinc/47/61/34/1129476134.db2.gz DTDWCBZAUXLFKZ-UHFFFAOYSA-N 0 1 295.361 3.814 20 0 CHADMN c1nc(CN2CCC(C3CC3)CC2)oc1-c1ccccc1 ZINC000644718722 1129476496 /nfs/dbraw/zinc/47/64/96/1129476496.db2.gz AFEPGLYNYDPYNL-UHFFFAOYSA-N 0 1 282.387 3.964 20 0 CHADMN CC(C)[C@@H]1CN(c2ccnc3cc(F)ccc32)CCCO1 ZINC000645066290 1129486260 /nfs/dbraw/zinc/48/62/60/1129486260.db2.gz RGWRCCJRDUOQTE-KRWDZBQOSA-N 0 1 288.366 3.625 20 0 CHADMN COc1ccc(F)c(CN[C@H](C)c2ccc(F)cc2)c1 ZINC000645143861 1129488315 /nfs/dbraw/zinc/48/83/15/1129488315.db2.gz FGEWLKVQUXJWSD-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN CCC(=O)Nc1cccc(CNCc2ccsc2C)c1 ZINC000645145720 1129488483 /nfs/dbraw/zinc/48/84/83/1129488483.db2.gz KUJKAGOSBVOEOB-UHFFFAOYSA-N 0 1 288.416 3.695 20 0 CHADMN Cc1ccsc1CC[NH2+]Cc1cccc([O-])c1Cl ZINC000645171371 1129490068 /nfs/dbraw/zinc/49/00/68/1129490068.db2.gz UTFQXRFFLBKSOC-UHFFFAOYSA-N 0 1 281.808 3.748 20 0 CHADMN Oc1cccc(CNc2cc3c(cn2)CCCC3)c1Cl ZINC000645181938 1129490298 /nfs/dbraw/zinc/49/02/98/1129490298.db2.gz OHIQLYNCCQHZFT-UHFFFAOYSA-N 0 1 288.778 3.932 20 0 CHADMN Cc1cn2c(CNc3cc4c(cn3)CCC4)c(C)nc2s1 ZINC000645212697 1129491516 /nfs/dbraw/zinc/49/15/16/1129491516.db2.gz NUTFJQAIRLRRJV-UHFFFAOYSA-N 0 1 298.415 3.508 20 0 CHADMN CC(C)(C)c1n[nH]cc1C(=O)N1CC(C)(C)c2ccccc21 ZINC000645768559 1129505030 /nfs/dbraw/zinc/50/50/30/1129505030.db2.gz SHUFBMMCXVTMDV-UHFFFAOYSA-N 0 1 297.402 3.645 20 0 CHADMN CCCCOC(=O)CCN(Cc1ccccc1F)C1CC1 ZINC000302878156 1129505064 /nfs/dbraw/zinc/50/50/64/1129505064.db2.gz WGCBEBIFDZCSSK-UHFFFAOYSA-N 0 1 293.382 3.524 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)CN(CCC[C@H]1CCOC1)CC3 ZINC000645827262 1129508562 /nfs/dbraw/zinc/50/85/62/1129508562.db2.gz SXISHGJCRGHCHT-HNNXBMFYSA-N 0 1 298.430 3.651 20 0 CHADMN COc1ccccc1C1(NCc2sc(C)nc2C)CC1 ZINC000646000242 1129516501 /nfs/dbraw/zinc/51/65/01/1129516501.db2.gz COZIBIGWKTZMSQ-UHFFFAOYSA-N 0 1 288.416 3.547 20 0 CHADMN CN(CCC(C)(C)C)Cc1ccn(C2CCCC2)n1 ZINC000646027883 1129518131 /nfs/dbraw/zinc/51/81/31/1129518131.db2.gz LXMSGCNQVMOZCX-UHFFFAOYSA-N 0 1 263.429 3.866 20 0 CHADMN CC(C)c1nnc(CN2CC[C@@H]([C@@H]3CCCC3(C)C)C2)o1 ZINC000646049271 1129519438 /nfs/dbraw/zinc/51/94/38/1129519438.db2.gz BVZFXSAPXOTRGY-KGLIPLIRSA-N 0 1 291.439 3.841 20 0 CHADMN CC1(C)CCC[C@@H]1[C@@H]1CCN(Cc2nnc(C3CC3)o2)C1 ZINC000646049739 1129519597 /nfs/dbraw/zinc/51/95/97/1129519597.db2.gz UJSSAQILRUIVJG-ZIAGYGMSSA-N 0 1 289.423 3.595 20 0 CHADMN C[C@H](c1csnn1)N1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000646052111 1129520607 /nfs/dbraw/zinc/52/06/07/1129520607.db2.gz BJACGZMVXWOFDS-FRRDWIJNSA-N 0 1 279.453 3.747 20 0 CHADMN C[C@H]1C(=O)N(CN(C2CC2)C2CCCC2)[C@@H]1c1ccccc1 ZINC000743353819 1129520841 /nfs/dbraw/zinc/52/08/41/1129520841.db2.gz HXRHGINAYDQGIT-KDOFPFPSSA-N 0 1 298.430 3.571 20 0 CHADMN CCCN(Cn1cc[nH]c1=S)[C@@H]1CCc2ccccc21 ZINC000743358092 1129521019 /nfs/dbraw/zinc/52/10/19/1129521019.db2.gz FXYCBCHLULHRAE-OAHLLOKOSA-N 0 1 287.432 3.529 20 0 CHADMN Cc1ccc2ncc(CN3C[C@H](C)OC4(CCC4)C3)cc2c1 ZINC000646116389 1129524494 /nfs/dbraw/zinc/52/44/94/1129524494.db2.gz JCJIKFALPQMBBW-HNNXBMFYSA-N 0 1 296.414 3.687 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)CC2(CCCC2)O1 ZINC000646135548 1129525172 /nfs/dbraw/zinc/52/51/72/1129525172.db2.gz RQIMFEYPAZFLQL-OAHLLOKOSA-N 0 1 296.414 3.768 20 0 CHADMN C[C@@H]1CN(Cc2cnc3ccccc3c2)CC2(CCCC2)O1 ZINC000646135548 1129525174 /nfs/dbraw/zinc/52/51/74/1129525174.db2.gz RQIMFEYPAZFLQL-OAHLLOKOSA-N 0 1 296.414 3.768 20 0 CHADMN CC1(C)CN(Cc2[nH]nc3ccccc32)[C@@H]1c1ccncc1 ZINC000646216501 1129528403 /nfs/dbraw/zinc/52/84/03/1129528403.db2.gz ZDQQHVLOAGSDON-QGZVFWFLSA-N 0 1 292.386 3.541 20 0 CHADMN CCCCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000303136630 1129530327 /nfs/dbraw/zinc/53/03/27/1129530327.db2.gz CXXCVTLMEHDTQV-NVXWUHKLSA-N 0 1 290.451 3.764 20 0 CHADMN O=C(CCC1CCCC1)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000646462496 1129537842 /nfs/dbraw/zinc/53/78/42/1129537842.db2.gz LEAWNXORSJNUFU-UHFFFAOYSA-N 0 1 299.374 3.691 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2ccnc(Cl)c2)C1 ZINC000743860621 1129541410 /nfs/dbraw/zinc/54/14/10/1129541410.db2.gz NQRNAAYQWVYHFT-AWEZNQCLSA-N 0 1 252.789 3.747 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])o1 ZINC000251805109 1129542537 /nfs/dbraw/zinc/54/25/37/1129542537.db2.gz GLUCCLKXIFILNP-IPYPFGDCSA-N 0 1 291.391 3.622 20 0 CHADMN COC(=O)c1nc2ccc(-c3c(C)cc(C)cc3C)cc2[nH]1 ZINC001239551380 1131381139 /nfs/dbraw/zinc/38/11/39/1131381139.db2.gz YWTXYXDUBNLUSS-UHFFFAOYSA-N 0 1 294.354 3.942 20 0 CHADMN CCC(C)(C)CC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000646983501 1129548318 /nfs/dbraw/zinc/54/83/18/1129548318.db2.gz KRUOLIGPTSSVEI-UHFFFAOYSA-N 0 1 259.353 3.636 20 0 CHADMN Clc1nc2cc(Cl)ccn2c1CNC/C=C\C1CC1 ZINC001327868185 1129549353 /nfs/dbraw/zinc/54/93/53/1129549353.db2.gz JBTDMCZPNVVHCM-UPHRSURJSA-N 0 1 296.201 3.697 20 0 CHADMN CC(C)(Cc1nc([C@@H]2CCCN2)no1)C1CCCCC1 ZINC000647145968 1129551873 /nfs/dbraw/zinc/55/18/73/1129551873.db2.gz JQOKFWGMGQKLDJ-ZDUSSCGKSA-N 0 1 277.412 3.643 20 0 CHADMN CC[C@H](Cc1ccccc1C)c1nc([C@@H]2CCCN2)no1 ZINC000647144395 1129551977 /nfs/dbraw/zinc/55/19/77/1129551977.db2.gz WJMFVJKFADYFIP-HIFRSBDPSA-N 0 1 285.391 3.539 20 0 CHADMN CCCn1c(-c2nc([C@@H]3CCCN3)no2)cc2ccccc21 ZINC000647145632 1129552022 /nfs/dbraw/zinc/55/20/22/1129552022.db2.gz ADXSZDNVAPEFNV-ZDUSSCGKSA-N 0 1 296.374 3.526 20 0 CHADMN C[C@H](c1nc([C@@H]2CCCN2)no1)c1ccc2ccccc2c1 ZINC000647148563 1129552112 /nfs/dbraw/zinc/55/21/12/1129552112.db2.gz QGPKCAQIJQUTAT-LRDDRELGSA-N 0 1 293.370 3.799 20 0 CHADMN c1cc(C2CCCC2)ccc1-c1nc([C@@H]2CCCN2)no1 ZINC000647145344 1129552337 /nfs/dbraw/zinc/55/23/37/1129552337.db2.gz SXWHJVUISJBRAA-HNNXBMFYSA-N 0 1 283.375 3.819 20 0 CHADMN Cc1cc2cc(-c3nc([C@H]4CCCN4)no3)oc2cc1C ZINC000647149418 1129552622 /nfs/dbraw/zinc/55/26/22/1129552622.db2.gz LOEXVTAAKFSKDZ-GFCCVEGCSA-N 0 1 283.331 3.524 20 0 CHADMN Cc1c(-c2nc([C@H]3CCCN3)no2)oc2c1c(C)ccc2C ZINC000647152043 1129552643 /nfs/dbraw/zinc/55/26/43/1129552643.db2.gz VZQLJNTWFZMTHC-GFCCVEGCSA-N 0 1 297.358 3.833 20 0 CHADMN CCC1CCN(Cn2cc(-c3ccccc3)cn2)CC1 ZINC000744141457 1129554717 /nfs/dbraw/zinc/55/47/17/1129554717.db2.gz LOJWCKJWOONDCB-UHFFFAOYSA-N 0 1 269.392 3.630 20 0 CHADMN COc1ncncc1CN[C@@H](CC(C)C)c1ccccc1C ZINC000647182551 1129555186 /nfs/dbraw/zinc/55/51/86/1129555186.db2.gz IMYQKBYDEYRTTR-KRWDZBQOSA-N 0 1 299.418 3.671 20 0 CHADMN CC(C)(C)c1nnc(CNC2CCC(F)(F)CC2)s1 ZINC000647191927 1129556072 /nfs/dbraw/zinc/55/60/72/1129556072.db2.gz IFQVYXOZNJNXSU-UHFFFAOYSA-N 0 1 289.395 3.503 20 0 CHADMN Cc1ccccc1C1(N[C@@H](C)c2cncc(F)c2)CC1 ZINC000647224466 1129558138 /nfs/dbraw/zinc/55/81/38/1129558138.db2.gz JCJTVIDNLSTYKB-ZDUSSCGKSA-N 0 1 270.351 3.869 20 0 CHADMN Fc1cccc(C2(NCc3cnc(C4CC4)nc3)CCC2)c1 ZINC000647233065 1129559037 /nfs/dbraw/zinc/55/90/37/1129559037.db2.gz QRUQMCPKTGUFJT-UHFFFAOYSA-N 0 1 297.377 3.662 20 0 CHADMN CC(C)c1cnc(CN[C@H]2C[C@@H](OC(C)(C)C)C2)s1 ZINC000647248036 1129560657 /nfs/dbraw/zinc/56/06/57/1129560657.db2.gz VXQRSTPHWVCPCM-TXEJJXNPSA-N 0 1 282.453 3.702 20 0 CHADMN C[C@@H](N[C@H]1CCCc2ccccc21)c1cc2n(n1)CCCC2 ZINC000647279906 1129562942 /nfs/dbraw/zinc/56/29/42/1129562942.db2.gz FLFSYSGCTUDFFB-KDOFPFPSSA-N 0 1 295.430 3.948 20 0 CHADMN CC(C)CC(=O)CCN1Cc2ccccc2C2(CC2)C1 ZINC000828313786 1131382359 /nfs/dbraw/zinc/38/23/59/1131382359.db2.gz XOPPHIQMRJNHDS-UHFFFAOYSA-N 0 1 271.404 3.539 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2C[C@@H]1C)c1cc2n(n1)CCCC2 ZINC000647292719 1129565146 /nfs/dbraw/zinc/56/51/46/1129565146.db2.gz CBMUWXQWSRJMPP-NJSLBKSFSA-N 0 1 295.430 3.804 20 0 CHADMN CCn1cc([C@H](C)NC2(c3cccc(F)c3)CCC2)cn1 ZINC000647331220 1129569626 /nfs/dbraw/zinc/56/96/26/1129569626.db2.gz WXWMZEHZDIQFLM-ZDUSSCGKSA-N 0 1 287.382 3.772 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](CCO)c2ccccc2F)cs1 ZINC000647344179 1129572018 /nfs/dbraw/zinc/57/20/18/1129572018.db2.gz LCEVFWVWEDJZCS-WBMJQRKESA-N 0 1 293.407 3.970 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@H](CCO)c1ccccc1F ZINC000647345114 1129572357 /nfs/dbraw/zinc/57/23/57/1129572357.db2.gz DWCVIFSJRMADAN-RDTXWAMCSA-N 0 1 287.378 3.908 20 0 CHADMN CC[C@@](C)(NC[C@@]1(C)CC1(Cl)Cl)c1nccs1 ZINC000828333376 1131382935 /nfs/dbraw/zinc/38/29/35/1131382935.db2.gz GLDITLDWNXBVNL-GHMZBOCLSA-N 0 1 293.263 3.942 20 0 CHADMN CCC(=O)Nc1cc(NCCC2=CCCCC2)ccn1 ZINC001168774293 1129587565 /nfs/dbraw/zinc/58/75/65/1129587565.db2.gz FNIRYXGJYYELLA-UHFFFAOYSA-N 0 1 273.380 3.733 20 0 CHADMN CCc1ccc(CN(Cc2ccc(C)nc2)CC2CC2)o1 ZINC000648057782 1129594431 /nfs/dbraw/zinc/59/44/31/1129594431.db2.gz OPBHNEFVDYVAIB-UHFFFAOYSA-N 0 1 284.403 3.958 20 0 CHADMN Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CC=CC2)o1 ZINC000648069929 1129596090 /nfs/dbraw/zinc/59/60/90/1129596090.db2.gz SNQOSOCMEATGMY-GOSISDBHSA-N 0 1 297.398 3.748 20 0 CHADMN COc1ccccc1CN[C@H]1CSCc2ccccc21 ZINC000037195572 1129596692 /nfs/dbraw/zinc/59/66/92/1129596692.db2.gz SIQPCUALRDUCFY-INIZCTEOSA-N 0 1 285.412 3.773 20 0 CHADMN C[C@@H]1CN(Cc2nccc3ccccc32)CC2(CCCC2)O1 ZINC000648077164 1129596908 /nfs/dbraw/zinc/59/69/08/1129596908.db2.gz BAOBIKUUYVETRX-OAHLLOKOSA-N 0 1 296.414 3.768 20 0 CHADMN Cc1[nH]nc2ccc(-c3ccc(C(F)(F)F)nc3)cc12 ZINC001241668320 1129601760 /nfs/dbraw/zinc/60/17/60/1129601760.db2.gz BJOZDBGUQOXKGM-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN Cc1cnccc1CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000648554256 1129613536 /nfs/dbraw/zinc/61/35/36/1129613536.db2.gz ZLULZEPMOISSRJ-ZDUSSCGKSA-N 0 1 286.341 3.800 20 0 CHADMN CCOc1ccc(-c2cccc(CN(C)C)c2F)cc1 ZINC001239566369 1131390866 /nfs/dbraw/zinc/39/08/66/1131390866.db2.gz YRJIEFYWRLHIKV-UHFFFAOYSA-N 0 1 273.351 3.953 20 0 CHADMN CC[C@H](NC(=O)c1ccc2cncn2c1)c1csc(C)c1 ZINC000648651996 1129617353 /nfs/dbraw/zinc/61/73/53/1129617353.db2.gz PNBKDFAKRGXDAP-HNNXBMFYSA-N 0 1 299.399 3.585 20 0 CHADMN C[C@@H](N[C@@H](CCO)c1cccs1)c1ccc(F)c(F)c1 ZINC000746049971 1129623686 /nfs/dbraw/zinc/62/36/86/1129623686.db2.gz ZGKXZZXXQFAOSZ-YGRLFVJLSA-N 0 1 297.370 3.801 20 0 CHADMN C[C@H]1[C@H](O)CCCN1Cc1cnc(C2CCCCC2)s1 ZINC000648724005 1129623699 /nfs/dbraw/zinc/62/36/99/1129623699.db2.gz SGPVKYXYUFVILK-SWLSCSKDSA-N 0 1 294.464 3.536 20 0 CHADMN CC/C=C/CNCc1csc(-c2ccc(OC)cc2)n1 ZINC000648716639 1129623936 /nfs/dbraw/zinc/62/39/36/1129623936.db2.gz ALKTXTISSDXKSY-SNAWJCMRSA-N 0 1 288.416 3.875 20 0 CHADMN Clc1ccc(C2CCN(Cc3cncnc3)CC2)cc1 ZINC000187609770 1129636489 /nfs/dbraw/zinc/63/64/89/1129636489.db2.gz MLQIKBKBZOGULE-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN CC(C)[C@H](N[C@H]1CCC12CCCC2)c1nc(C2CC2)no1 ZINC000189165846 1129638281 /nfs/dbraw/zinc/63/82/81/1129638281.db2.gz VGMZISANBVKLQS-KBPBESRZSA-N 0 1 289.423 3.957 20 0 CHADMN CC[C@H]1CCCN(Cc2noc3c2CC(C)(C)CC3)C1 ZINC001459622380 1129641189 /nfs/dbraw/zinc/64/11/89/1129641189.db2.gz MMVQZKLUSFFGPJ-ZDUSSCGKSA-N 0 1 276.424 3.812 20 0 CHADMN Cc1ccc2nc(N)n(-c3c4cc[nH]c4c(F)cc3C)c2c1 ZINC001212971629 1129643933 /nfs/dbraw/zinc/64/39/33/1129643933.db2.gz CAUVRIYOTANLIT-UHFFFAOYSA-N 0 1 294.333 3.845 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1ccccc1OC1CC1 ZINC000649421764 1129644500 /nfs/dbraw/zinc/64/45/00/1129644500.db2.gz IHVCALSCUAHDEE-AWEZNQCLSA-N 0 1 282.387 3.782 20 0 CHADMN Cc1[nH]ncc1[C@@H](C)Nc1cnn(C2CCCC2)c1C ZINC000193385710 1129644661 /nfs/dbraw/zinc/64/46/61/1129644661.db2.gz SUVDZTLYIMELSQ-SNVBAGLBSA-N 0 1 273.384 3.511 20 0 CHADMN CCc1nnc(SCCCOc2ccc(Cl)cc2)[nH]1 ZINC000048455759 1129647102 /nfs/dbraw/zinc/64/71/02/1129647102.db2.gz LKKXMGPGADATJF-UHFFFAOYSA-N 0 1 297.811 3.582 20 0 CHADMN CCc1n[nH]c(SCCCOc2ccc(Cl)cc2)n1 ZINC000048455759 1129647103 /nfs/dbraw/zinc/64/71/03/1129647103.db2.gz LKKXMGPGADATJF-UHFFFAOYSA-N 0 1 297.811 3.582 20 0 CHADMN CC(C)[C@@H](NCc1cc2n(n1)CCCC2)c1ccccc1 ZINC000649479730 1129652114 /nfs/dbraw/zinc/65/21/14/1129652114.db2.gz IOQLUVABPUVAFV-GOSISDBHSA-N 0 1 283.419 3.706 20 0 CHADMN CC[C@@H](C)N(Cc1cc2n(n1)CCC2)Cc1ccccc1 ZINC000649481499 1129652681 /nfs/dbraw/zinc/65/26/81/1129652681.db2.gz JXCIPMYNKMVTFU-OAHLLOKOSA-N 0 1 283.419 3.630 20 0 CHADMN c1c(CN(Cc2ccccc2)CC2CCC2)nn2c1CCC2 ZINC000649495959 1129654076 /nfs/dbraw/zinc/65/40/76/1129654076.db2.gz FKTMMCSGYLRYKX-UHFFFAOYSA-N 0 1 295.430 3.632 20 0 CHADMN CC[C@H](c1ccccc1)N(CC)Cc1cc2n(n1)CCC2 ZINC000649500924 1129654466 /nfs/dbraw/zinc/65/44/66/1129654466.db2.gz XPFVBENSIJIKDL-GOSISDBHSA-N 0 1 283.419 3.803 20 0 CHADMN Cc1cc(N)[nH+]cc1-c1ccc2[n-]c(=S)sc2c1 ZINC001242090648 1129656621 /nfs/dbraw/zinc/65/66/21/1129656621.db2.gz XKEBYKGNTGPJJR-UHFFFAOYSA-N 0 1 273.386 3.538 20 0 CHADMN CC(C)[C@@H]1c2ccccc2CCN1Cc1cc2n(n1)CCC2 ZINC000649551586 1129657706 /nfs/dbraw/zinc/65/77/06/1129657706.db2.gz FCWIYIAZAISZNS-LJQANCHMSA-N 0 1 295.430 3.585 20 0 CHADMN Cc1ccc(C)c([C@H]2CCCN2Cc2cc3n(n2)CCC3)c1 ZINC000649552169 1129657794 /nfs/dbraw/zinc/65/77/94/1129657794.db2.gz ZGWYSKXJVDYDJT-LJQANCHMSA-N 0 1 295.430 3.783 20 0 CHADMN C[C@@H]1CCCCCN1Cc1ncccc1Br ZINC000390618048 1129658432 /nfs/dbraw/zinc/65/84/32/1129658432.db2.gz DPHIBPFDUPRNIV-LLVKDONJSA-N 0 1 283.213 3.609 20 0 CHADMN Cc1c(CNC2(c3ccccc3Cl)CCC2)cnn1C ZINC000649643425 1129665166 /nfs/dbraw/zinc/66/51/66/1129665166.db2.gz LNXJILAADQQYMQ-UHFFFAOYSA-N 0 1 289.810 3.551 20 0 CHADMN Cc1ccccc1C1(NCc2ccccn2)CCC1 ZINC000649645533 1129665798 /nfs/dbraw/zinc/66/57/98/1129665798.db2.gz YVXNGOKGWBPBIC-UHFFFAOYSA-N 0 1 252.361 3.559 20 0 CHADMN Cc1cccc(-c2noc(CN3CCC34CCCC4)n2)c1 ZINC000649656211 1129666592 /nfs/dbraw/zinc/66/65/92/1129666592.db2.gz DIRLKKAVEFUSNP-UHFFFAOYSA-N 0 1 283.375 3.564 20 0 CHADMN Cc1nc(C)c(CN(C)[C@H](C)CSc2ccccc2)o1 ZINC000649666285 1129669001 /nfs/dbraw/zinc/66/90/01/1129669001.db2.gz MDTFTYMUARINGI-GFCCVEGCSA-N 0 1 290.432 3.904 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3ncccc3c2)[C@@H](CC)CO1 ZINC000649719930 1129672984 /nfs/dbraw/zinc/67/29/84/1129672984.db2.gz ZPEKNGZTNREYAA-DLBZAZTESA-N 0 1 284.403 3.624 20 0 CHADMN Cc1ccc(C(C)(C)Nc2cccc3[nH]nnc32)cc1 ZINC001168808331 1129674116 /nfs/dbraw/zinc/67/41/16/1129674116.db2.gz SOAMFUBPQLBNJU-UHFFFAOYSA-N 0 1 266.348 3.614 20 0 CHADMN CCC(CC)n1ccc(CN2CCC3(CC3(F)F)CC2)n1 ZINC000649774258 1129676667 /nfs/dbraw/zinc/67/66/67/1129676667.db2.gz ZPZUUCOICJBQPK-UHFFFAOYSA-N 0 1 297.393 3.865 20 0 CHADMN Cc1cnc(CN2CCCC[C@H]2Cc2ccccc2F)o1 ZINC000649794223 1129677524 /nfs/dbraw/zinc/67/75/24/1129677524.db2.gz DKOAHUNMDCPTAV-HNNXBMFYSA-N 0 1 288.366 3.719 20 0 CHADMN CCn1cc(CN(Cc2cc(C)sc2C)C(C)C)cn1 ZINC000649812861 1129679327 /nfs/dbraw/zinc/67/93/27/1129679327.db2.gz LIVMFAYHMLSRPZ-UHFFFAOYSA-N 0 1 291.464 3.992 20 0 CHADMN Cc1nnc([C@H](C)N2CCc3ccccc3[C@@H](C)C2)s1 ZINC000649835583 1129681551 /nfs/dbraw/zinc/68/15/51/1129681551.db2.gz LUOPOIOYBNHAES-RYUDHWBXSA-N 0 1 287.432 3.569 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)N1CCN(C)[C@@H](C)C1 ZINC001168910932 1129683633 /nfs/dbraw/zinc/68/36/33/1129683633.db2.gz LEKLQRRGFGCUEC-WDEREUQCSA-N 0 1 287.234 3.690 20 0 CHADMN Cc1cnc([C@H](C)N2CCc3ccc(F)cc3[C@H](C)C2)o1 ZINC000649894793 1129684717 /nfs/dbraw/zinc/68/47/17/1129684717.db2.gz USDBIGWJBBFMFX-YPMHNXCESA-N 0 1 288.366 3.845 20 0 CHADMN CCN(CCC1CC1)Cc1ccn(CCc2ccccc2)n1 ZINC001169015175 1129690197 /nfs/dbraw/zinc/69/01/97/1129690197.db2.gz VHXOXUMBXCQEAJ-UHFFFAOYSA-N 0 1 297.446 3.748 20 0 CHADMN CC(C)C[C@H](Cc1ccccc1)Nc1cccnc1CN ZINC001169060824 1129694465 /nfs/dbraw/zinc/69/44/65/1129694465.db2.gz DPMYEKRKGQDNCM-MRXNPFEDSA-N 0 1 283.419 3.610 20 0 CHADMN CC(=O)Nc1cccc(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213073338 1129695110 /nfs/dbraw/zinc/69/51/10/1129695110.db2.gz NFATXBGARNICCP-UHFFFAOYSA-N 0 1 280.331 3.573 20 0 CHADMN CCOC(=O)CN(CCCC1CCCCC1)C1CCC1 ZINC001169073252 1129696377 /nfs/dbraw/zinc/69/63/77/1129696377.db2.gz UDSRQLIDRFDNLY-UHFFFAOYSA-N 0 1 281.440 3.765 20 0 CHADMN COC(=O)[C@@H](c1ccccc1C)N1CC[C@@H](C)C(C)(C)C1 ZINC001169092545 1129700451 /nfs/dbraw/zinc/70/04/51/1129700451.db2.gz UNEYDOATYDLAKP-GDBMZVCRSA-N 0 1 289.419 3.577 20 0 CHADMN Cc1cnc(N[C@H]2CCCC(F)(F)C2)c2[nH]ccc21 ZINC001169214519 1129708848 /nfs/dbraw/zinc/70/88/48/1129708848.db2.gz CTINWUWZOXPJAF-JTQLQIEISA-N 0 1 265.307 3.861 20 0 CHADMN FC1(F)CCC[C@H](Nc2ccc3nc[nH]c3c2)C1 ZINC001169220149 1129709910 /nfs/dbraw/zinc/70/99/10/1129709910.db2.gz VVQCQXPTOHAYQT-JTQLQIEISA-N 0 1 251.280 3.553 20 0 CHADMN Cc1c2cccc(C)c2oc1C[N@@H+](C)CCCCC(=O)[O-] ZINC000650514073 1129711509 /nfs/dbraw/zinc/71/15/09/1129711509.db2.gz URRNGDJPUKOPAM-UHFFFAOYSA-N 0 1 289.375 3.736 20 0 CHADMN CCc1ccc([C@@H]2CN(CCCC3CC3)CCO2)cc1 ZINC001169283524 1129714537 /nfs/dbraw/zinc/71/45/37/1129714537.db2.gz KCBHGEFHOIHSAM-SFHVURJKSA-N 0 1 273.420 3.813 20 0 CHADMN C[C@@]1(CN(Cc2ccccn2)C2CC2)CC1(Cl)Cl ZINC000828610665 1131393066 /nfs/dbraw/zinc/39/30/66/1131393066.db2.gz SHRKAJJSONOPKU-ZDUSSCGKSA-N 0 1 285.218 3.630 20 0 CHADMN C[C@H]1C[C@@H](Nc2ccc3c(n2)NCCO3)c2ccccc21 ZINC001169378253 1129722686 /nfs/dbraw/zinc/72/26/86/1129722686.db2.gz KTKVSDYVWGSVRN-SMDDNHRTSA-N 0 1 281.359 3.546 20 0 CHADMN Cc1nccc(N[C@@H]2C[C@H](C)c3ccccc32)c1F ZINC001169382271 1129723429 /nfs/dbraw/zinc/72/34/29/1129723429.db2.gz WXHSYXHTDODHMN-ZUZCIYMTSA-N 0 1 256.324 3.611 20 0 CHADMN Cc1ccc(F)c(CN2CCC([C@H]3CCCO3)CC2)c1F ZINC001169407050 1129724231 /nfs/dbraw/zinc/72/42/31/1129724231.db2.gz CQLJGBGVAHRNEW-MRXNPFEDSA-N 0 1 295.373 3.664 20 0 CHADMN CCCCC[C@@H](C(=O)N[C@H]1CCCc2cn[nH]c21)C(C)C ZINC000766693414 1129726029 /nfs/dbraw/zinc/72/60/29/1129726029.db2.gz UWKNYJIAONPFEH-CABCVRRESA-N 0 1 291.439 3.756 20 0 CHADMN CC[C@H]1CCN(Cc2csc(C3CC3)n2)[C@H]1C ZINC001169494141 1129730596 /nfs/dbraw/zinc/73/05/96/1129730596.db2.gz DMVYJHALNBIUIJ-QWRGUYRKSA-N 0 1 250.411 3.641 20 0 CHADMN CC[C@H](C)N1CCc2c(Br)cc(C)cc2C1 ZINC001169519914 1129732270 /nfs/dbraw/zinc/73/22/70/1129732270.db2.gz QQEZOSNHGBMHNS-NSHDSACASA-N 0 1 282.225 3.914 20 0 CHADMN COC[C@@H](CC(C)(C)C)N[C@@H](C)c1ncc(C)s1 ZINC000651729448 1129746047 /nfs/dbraw/zinc/74/60/47/1129746047.db2.gz FPPJODMTQBYTLF-NWDGAFQWSA-N 0 1 270.442 3.553 20 0 CHADMN OCC[C@@H](NCc1cccc2c1CCC2)c1ccccc1F ZINC000651845476 1129750679 /nfs/dbraw/zinc/75/06/79/1129750679.db2.gz NGLZGANOUKABHA-LJQANCHMSA-N 0 1 299.389 3.528 20 0 CHADMN CC(C)(C)C[C@@H]1C[C@H]1NCc1csc(C2CC2)n1 ZINC000651911565 1129751108 /nfs/dbraw/zinc/75/11/08/1129751108.db2.gz HDEYEZMHXZAJKP-WCQYABFASA-N 0 1 264.438 3.935 20 0 CHADMN c1nc([C@H]2CCCO2)sc1CN1CCC12CCCC2 ZINC000651873400 1129751647 /nfs/dbraw/zinc/75/16/47/1129751647.db2.gz DZYBADNFDBJREA-CYBMUJFWSA-N 0 1 278.421 3.513 20 0 CHADMN c1cn2c(CN3CCC34CCCC4)c(C3CC3)nc2s1 ZINC000651873341 1129751670 /nfs/dbraw/zinc/75/16/70/1129751670.db2.gz BSNMWHLPSPBQBL-UHFFFAOYSA-N 0 1 287.432 3.792 20 0 CHADMN CC[C@H]1CN(Cc2cccc(-c3cccnc3)c2)[C@@H](C)CO1 ZINC000651930931 1129752147 /nfs/dbraw/zinc/75/21/47/1129752147.db2.gz GUCJEURKIGLWHR-KXBFYZLASA-N 0 1 296.414 3.748 20 0 CHADMN C[C@@H]1CN(Cc2coc3ccccc23)C2(CCC2)CO1 ZINC000651974823 1129753915 /nfs/dbraw/zinc/75/39/15/1129753915.db2.gz RAIYSGBZGZKRRH-CYBMUJFWSA-N 0 1 271.360 3.576 20 0 CHADMN CCc1cccc(CNCc2nn(CC)c3ccccc23)c1 ZINC000652032961 1129755611 /nfs/dbraw/zinc/75/56/11/1129755611.db2.gz QCRSENIUUZWNST-UHFFFAOYSA-N 0 1 293.414 3.908 20 0 CHADMN C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000652069974 1129757503 /nfs/dbraw/zinc/75/75/03/1129757503.db2.gz DCXKVUBJHFXSSK-MWIANEHASA-N 0 1 271.404 3.637 20 0 CHADMN Fc1ccc(/C=C\C[N@H+]2CC[C@@]3(CC3(F)F)C2)c(F)c1 ZINC000652063455 1129757719 /nfs/dbraw/zinc/75/77/19/1129757719.db2.gz MUNQZRPDSIMBEC-DDGIKZQJSA-N 0 1 285.284 3.709 20 0 CHADMN Fc1ccc(/C=C\CN2CC[C@@]3(CC3(F)F)C2)c(F)c1 ZINC000652063455 1129757721 /nfs/dbraw/zinc/75/77/21/1129757721.db2.gz MUNQZRPDSIMBEC-DDGIKZQJSA-N 0 1 285.284 3.709 20 0 CHADMN CC[C@@H](NCc1cccc2ccsc21)c1ccn(C)n1 ZINC000652219664 1129759951 /nfs/dbraw/zinc/75/99/51/1129759951.db2.gz HUUBBUJHACAVPU-CQSZACIVSA-N 0 1 285.416 3.876 20 0 CHADMN Cc1cccc2c1CC[C@@H]2N[C@@H](c1ccccc1F)[C@@H](C)O ZINC000652230507 1129760802 /nfs/dbraw/zinc/76/08/02/1129760802.db2.gz NEXMHYQVFHDCRF-ZNZDAUKMSA-N 0 1 299.389 3.833 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccccc2C(=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000652396225 1129765047 /nfs/dbraw/zinc/76/50/47/1129765047.db2.gz FXYMLCRDPSJBQE-UKPHBRMFSA-N 0 1 287.403 3.785 20 0 CHADMN CCCN(Cc1ccncc1Br)[C@@H](C)CC ZINC001137687831 1131401339 /nfs/dbraw/zinc/40/13/39/1131401339.db2.gz FGZAMOHKRDWSOG-NSHDSACASA-N 0 1 285.229 3.855 20 0 CHADMN CC(C)(C(=O)N[C@H]1CCCc2cn[nH]c21)C1CCCCC1 ZINC000767086979 1129776858 /nfs/dbraw/zinc/77/68/58/1129776858.db2.gz COBLAFDUDMMSOP-AWEZNQCLSA-N 0 1 289.423 3.510 20 0 CHADMN C[C@H](c1cccc2ccccc21)N(C)Cc1cncnc1 ZINC001137670263 1131397273 /nfs/dbraw/zinc/39/72/73/1131397273.db2.gz HRJUSDHWJZCSIJ-CQSZACIVSA-N 0 1 277.371 3.823 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c(C)o1 ZINC000767363802 1129788824 /nfs/dbraw/zinc/78/88/24/1129788824.db2.gz YQHWANPLMBPCOS-LBPRGKRZSA-N 0 1 298.386 3.632 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)c(C)o1 ZINC000767363801 1129788836 /nfs/dbraw/zinc/78/88/36/1129788836.db2.gz YQHWANPLMBPCOS-GFCCVEGCSA-N 0 1 298.386 3.632 20 0 CHADMN CC(C)(C)OC(=O)c1cccnc1-c1cccc(F)c1O ZINC001242349842 1129790200 /nfs/dbraw/zinc/79/02/00/1129790200.db2.gz VPDKOKHUAHOBLE-UHFFFAOYSA-N 0 1 289.306 3.549 20 0 CHADMN CCC(CC)n1ccc(CN2CC[C@H](c3ccncc3)C2)n1 ZINC000653681570 1129791522 /nfs/dbraw/zinc/79/15/22/1129791522.db2.gz WSEILMAWTURMFJ-INIZCTEOSA-N 0 1 298.434 3.629 20 0 CHADMN Cc1nsc(C)c1CN1CCC=C(c2ccco2)C1 ZINC000653671677 1129791550 /nfs/dbraw/zinc/79/15/50/1129791550.db2.gz QGDZJMLTNOZKGT-UHFFFAOYSA-N 0 1 274.389 3.642 20 0 CHADMN CCSCCSCc1ccc2nc(C)[nH]c2c1 ZINC000767435291 1129793783 /nfs/dbraw/zinc/79/37/83/1129793783.db2.gz QTWJSGCUIQJNCK-UHFFFAOYSA-N 0 1 266.435 3.858 20 0 CHADMN O=C(CCN1CCc2cc(-c3ccccc3)oc2C1)C1CC1 ZINC000767428131 1129793887 /nfs/dbraw/zinc/79/38/87/1129793887.db2.gz BFEHOCPCOUCPQE-UHFFFAOYSA-N 0 1 295.382 3.674 20 0 CHADMN CCCc1noc(CN2CCC[C@@H]2CC2CCCC2)n1 ZINC000653893791 1129799801 /nfs/dbraw/zinc/79/98/01/1129799801.db2.gz KIDLTNQFJQAGMM-CQSZACIVSA-N 0 1 277.412 3.567 20 0 CHADMN Cc1cc2[nH]cnc2cc1-c1cccnc1C(F)(F)F ZINC001242374722 1129801277 /nfs/dbraw/zinc/80/12/77/1129801277.db2.gz AJILKEBYRWCLEL-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN CC1=C(C)CN(C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000796594590 1129801547 /nfs/dbraw/zinc/80/15/47/1129801547.db2.gz VEZBWIKQGBYSPT-HNNXBMFYSA-N 0 1 299.336 3.781 20 0 CHADMN Cc1[nH]c2ccc(-c3noc([C@@H]4CCCCN4)n3)cc2c1C ZINC000822760895 1131398891 /nfs/dbraw/zinc/39/88/91/1131398891.db2.gz STOSDWVQDAXHCT-HNNXBMFYSA-N 0 1 296.374 3.649 20 0 CHADMN CCCCC[C@@H]1CCCN1Cn1cccnc1=S ZINC000767764557 1129812514 /nfs/dbraw/zinc/81/25/14/1129812514.db2.gz YXOSYDYYVBIPCP-CYBMUJFWSA-N 0 1 265.426 3.615 20 0 CHADMN Cc1cc(C)cc([C@@H](O)CN2CCc3cccc(F)c3C2)c1 ZINC000767784006 1129814099 /nfs/dbraw/zinc/81/40/99/1129814099.db2.gz DKOUVPIBUCDTDU-IBGZPJMESA-N 0 1 299.389 3.534 20 0 CHADMN Cc1cc(CN2CCC(C3CCCCC3)CC2)nn1C ZINC000767889008 1129817876 /nfs/dbraw/zinc/81/78/76/1129817876.db2.gz FWPJOBWGGYTYBV-UHFFFAOYSA-N 0 1 275.440 3.521 20 0 CHADMN c1ncc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)s1 ZINC000767923219 1129820265 /nfs/dbraw/zinc/82/02/65/1129820265.db2.gz UAJHUEPFERZFMR-CQSZACIVSA-N 0 1 286.400 3.679 20 0 CHADMN F[C@@H]1CN(Cc2cc3ccccc3s2)C[C@@H]2C[C@@H]21 ZINC001137681454 1131399990 /nfs/dbraw/zinc/39/99/90/1131399990.db2.gz XREVXLTZEQHJII-FPMFFAJLSA-N 0 1 261.365 3.691 20 0 CHADMN F[C@H]1CN(Cc2cc3ccccc3s2)C[C@@H]2C[C@@H]21 ZINC001137681455 1131400318 /nfs/dbraw/zinc/40/03/18/1131400318.db2.gz XREVXLTZEQHJII-UBHSHLNASA-N 0 1 261.365 3.691 20 0 CHADMN CC[C@@H](NC[C@]1(C)CC1(Cl)Cl)c1nccs1 ZINC000828802589 1131400421 /nfs/dbraw/zinc/40/04/21/1131400421.db2.gz DOYFFTANDMDUQS-SCZZXKLOSA-N 0 1 279.236 3.768 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cccc3c2OCCO3)c1 ZINC001169985924 1129833947 /nfs/dbraw/zinc/83/39/47/1129833947.db2.gz KOWOXFIUCAJDIF-UHFFFAOYSA-N 0 1 297.398 3.707 20 0 CHADMN Cc1cccc(Cl)c1CN[C@H](CCO)c1cccs1 ZINC000828802728 1131400512 /nfs/dbraw/zinc/40/05/12/1131400512.db2.gz LESOAWGCDRTPCS-CQSZACIVSA-N 0 1 295.835 3.923 20 0 CHADMN CCCN(CCC)Cc1c(Cl)nc2ccccn21 ZINC000768138462 1129835466 /nfs/dbraw/zinc/83/54/66/1129835466.db2.gz WLNMAIUXDBRSAW-UHFFFAOYSA-N 0 1 265.788 3.610 20 0 CHADMN Cc1cccc(Cl)c1CN[C@@H](CCO)c1cccs1 ZINC000828802727 1131400822 /nfs/dbraw/zinc/40/08/22/1131400822.db2.gz LESOAWGCDRTPCS-AWEZNQCLSA-N 0 1 295.835 3.923 20 0 CHADMN C[C@H](O)[C@H](C)NCc1c(Cl)ccc(Cl)c1Cl ZINC000381509446 1129840881 /nfs/dbraw/zinc/84/08/81/1129840881.db2.gz NRDYVPZNVHTLIA-BQBZGAKWSA-N 0 1 282.598 3.506 20 0 CHADMN F[C@@H]1CSC2(CN(Cc3cc4ccccc4s3)C2)C1 ZINC001137686154 1131400962 /nfs/dbraw/zinc/40/09/62/1131400962.db2.gz CODIBWSFFOVSNJ-LBPRGKRZSA-N 0 1 293.432 3.931 20 0 CHADMN Cc1ccc2ncc(CN3Cc4ccccc4[C@H](C)C3)n2c1 ZINC000768195564 1129842978 /nfs/dbraw/zinc/84/29/78/1129842978.db2.gz MVYVSVDUYONBFA-OAHLLOKOSA-N 0 1 291.398 3.762 20 0 CHADMN CCN(Cc1occc1Br)C1CCCC1 ZINC000768335405 1129851033 /nfs/dbraw/zinc/85/10/33/1129851033.db2.gz OFULKGDTNKVNBF-UHFFFAOYSA-N 0 1 272.186 3.807 20 0 CHADMN CN(Cc1ccc(Cl)nc1)Cc1ccnc2ccccc12 ZINC000768237566 1129846334 /nfs/dbraw/zinc/84/63/34/1129846334.db2.gz QKAPYLNURAJMIA-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN CCCCCN(Cc1coc(C2CC2)n1)C(C)C ZINC000768333525 1129851501 /nfs/dbraw/zinc/85/15/01/1129851501.db2.gz CJVCQIMPDSHCLL-UHFFFAOYSA-N 0 1 250.386 3.953 20 0 CHADMN CCCN(Cc1c(Cl)nc(Cl)n1C)CC(C)C ZINC000768477537 1129857572 /nfs/dbraw/zinc/85/75/72/1129857572.db2.gz DNQQKKNJVZQPSS-UHFFFAOYSA-N 0 1 278.227 3.595 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(-n3ccnc3)cc2)oc1C ZINC000800475906 1129876986 /nfs/dbraw/zinc/87/69/86/1129876986.db2.gz XNAVGAKLKCKVCV-CQSZACIVSA-N 0 1 295.386 3.933 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2cccc(Cl)n2)C1 ZINC000743860778 1129878175 /nfs/dbraw/zinc/87/81/75/1129878175.db2.gz ULAPZKUOFRZAOB-AWEZNQCLSA-N 0 1 252.789 3.747 20 0 CHADMN CC(C)=CCCN1CCc2nc[nH]c2C12CCCCC2 ZINC001460771448 1129884048 /nfs/dbraw/zinc/88/40/48/1129884048.db2.gz DWCVNSKSOOUWRC-UHFFFAOYSA-N 0 1 273.424 3.784 20 0 CHADMN CCC[C@@H](CC)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000822922897 1131405319 /nfs/dbraw/zinc/40/53/19/1131405319.db2.gz RZHWJIYODTVOOZ-MRVPVSSYSA-N 0 1 273.735 3.950 20 0 CHADMN COc1ccc([C@H]2CCN(Cc3coc(C4CC4)n3)C2)cc1 ZINC000769245475 1129898061 /nfs/dbraw/zinc/89/80/61/1129898061.db2.gz UDFAGNKNLDMLET-HNNXBMFYSA-N 0 1 298.386 3.550 20 0 CHADMN Cc1cc(CN2CC[C@@H](c3ccco3)C2)cnc1Cl ZINC000769387708 1129905272 /nfs/dbraw/zinc/90/52/72/1129905272.db2.gz ATHLZKMIMYXLPL-CYBMUJFWSA-N 0 1 276.767 3.626 20 0 CHADMN CCCCc1ccc(N(C)C(=O)c2[nH]c(C)nc2C)cc1 ZINC000900938240 1129905388 /nfs/dbraw/zinc/90/53/88/1129905388.db2.gz RBBXZNAKHKTVTG-UHFFFAOYSA-N 0 1 285.391 3.646 20 0 CHADMN Cc1cc([C@H]2CCCN2CCc2ccccc2F)no1 ZINC000769436816 1129909012 /nfs/dbraw/zinc/90/90/12/1129909012.db2.gz QQHLJLCNPCMHPU-MRXNPFEDSA-N 0 1 274.339 3.502 20 0 CHADMN Cc1ccc(Cl)c(NC(=O)[C@@H]2CC[C@@H]3CCCCN32)c1 ZINC000901082505 1129909233 /nfs/dbraw/zinc/90/92/33/1129909233.db2.gz WMISCJLQBOALEG-WFASDCNBSA-N 0 1 292.810 3.604 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1coc(C2CC2)n1 ZINC000769446679 1129910248 /nfs/dbraw/zinc/91/02/48/1129910248.db2.gz QOTPWBZEWXVXIG-CZUORRHYSA-N 0 1 282.387 3.930 20 0 CHADMN Cc1cccc(C)c1-c1nc2nc[nH]c2c(C(F)(F)F)n1 ZINC001239596121 1131406672 /nfs/dbraw/zinc/40/66/72/1131406672.db2.gz LYYBXSSUGKUCQH-UHFFFAOYSA-N 0 1 292.264 3.607 20 0 CHADMN CCc1nn(C)c(Cl)c1CN1CCC(C(C)C)CC1 ZINC000769499061 1129913812 /nfs/dbraw/zinc/91/38/12/1129913812.db2.gz WAEAWTULIPAOEB-UHFFFAOYSA-N 0 1 283.847 3.504 20 0 CHADMN CCc1nn(C)c(Cl)c1CN1C2CCCC1CCC2 ZINC000769499816 1129914145 /nfs/dbraw/zinc/91/41/45/1129914145.db2.gz RBGRUQRXKQLSCM-UHFFFAOYSA-N 0 1 281.831 3.543 20 0 CHADMN O=C(Nc1cccc(Cl)c1)c1c(O)cccc1Cl ZINC000769587190 1129918515 /nfs/dbraw/zinc/91/85/15/1129918515.db2.gz UCLZBTRZAOZLNT-UHFFFAOYSA-N 0 1 282.126 3.951 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)[C@@H](F)c1ccccc1 ZINC000769612396 1129919017 /nfs/dbraw/zinc/91/90/17/1129919017.db2.gz JDNPFJFFUYCRCZ-LBPRGKRZSA-N 0 1 279.698 3.695 20 0 CHADMN CCC[C@H](N)c1cc(-c2nc3cc(Cl)ccc3o2)no1 ZINC000901399894 1129921217 /nfs/dbraw/zinc/92/12/17/1129921217.db2.gz YXZUPQKVNPRMED-VIFPVBQESA-N 0 1 291.738 3.936 20 0 CHADMN Cc1cc(C)cc(N(C)C(=O)c2c(O)cccc2Cl)c1 ZINC000769715749 1129922047 /nfs/dbraw/zinc/92/20/47/1129922047.db2.gz XDPSVBXZMVALEB-UHFFFAOYSA-N 0 1 289.762 3.939 20 0 CHADMN CC(C)SCCN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000801517260 1129923468 /nfs/dbraw/zinc/92/34/68/1129923468.db2.gz KWKUTICZZJFAOR-BFYDXBDKSA-N 0 1 293.476 3.979 20 0 CHADMN COC/C(C)=C\CSc1nnc(CCC2CCCC2)[nH]1 ZINC000901445868 1129926441 /nfs/dbraw/zinc/92/64/41/1129926441.db2.gz FQTSJLDPGLWZLM-XFXZXTDPSA-N 0 1 295.452 3.612 20 0 CHADMN COC/C(C)=C\CSc1nc(CCC2CCCC2)n[nH]1 ZINC000901445868 1129926444 /nfs/dbraw/zinc/92/64/44/1129926444.db2.gz FQTSJLDPGLWZLM-XFXZXTDPSA-N 0 1 295.452 3.612 20 0 CHADMN CO[C@@H](CN1CCC(F)(F)CC1)c1ccc(Cl)cc1 ZINC000801555410 1129926589 /nfs/dbraw/zinc/92/65/89/1129926589.db2.gz NCBHZYNHHAGSOE-ZDUSSCGKSA-N 0 1 289.753 3.759 20 0 CHADMN CN(Cc1cc(Cl)ccc1F)C[C@H](O)c1ccccc1 ZINC000769856323 1129926725 /nfs/dbraw/zinc/92/67/25/1129926725.db2.gz VVUINFJUYHMLJT-INIZCTEOSA-N 0 1 293.769 3.645 20 0 CHADMN CCC[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])c(CC)o1 ZINC000901453214 1129926878 /nfs/dbraw/zinc/92/68/78/1129926878.db2.gz OTDXDULOYCSFNW-LBPRGKRZSA-N 0 1 279.380 3.695 20 0 CHADMN Cc1cc(C[N@@H+]2CC[C@@](C(=O)[O-])(C(C)C)C2)ccc1Cl ZINC000901465708 1129927706 /nfs/dbraw/zinc/92/77/06/1129927706.db2.gz YBWQXXHTLGJKLI-INIZCTEOSA-N 0 1 295.810 3.581 20 0 CHADMN CCCCCC[C@H](C)NC(=O)CN[C@@H](C)c1ccsc1 ZINC000801569975 1129928035 /nfs/dbraw/zinc/92/80/35/1129928035.db2.gz HQSPOZSLWOBBMU-KBPBESRZSA-N 0 1 296.480 3.874 20 0 CHADMN Cc1ccc([C@H](O)CN2CC[C@](F)(c3ccccc3)C2)cc1 ZINC000801588507 1129930154 /nfs/dbraw/zinc/93/01/54/1129930154.db2.gz QQKALQCQKVKQOY-RTBURBONSA-N 0 1 299.389 3.599 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1ccccc1CC ZINC000769878161 1129931262 /nfs/dbraw/zinc/93/12/62/1129931262.db2.gz VWTQPWUGEJOACV-GFCCVEGCSA-N 0 1 272.392 3.959 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1cccc(-c2ccccc2C)c1 ZINC000901604844 1129938827 /nfs/dbraw/zinc/93/88/27/1129938827.db2.gz DYMJHMPTRLGGGQ-UHFFFAOYSA-N 0 1 297.398 3.959 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1cc(-c2ccccc2)cs1 ZINC000901604835 1129938930 /nfs/dbraw/zinc/93/89/30/1129938930.db2.gz DCHNQTBKUGIDFM-UHFFFAOYSA-N 0 1 289.400 3.712 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000901646511 1129940945 /nfs/dbraw/zinc/94/09/45/1129940945.db2.gz PKSJKUZNFSQWSC-SUMWQHHRSA-N 0 1 285.387 3.693 20 0 CHADMN CCC[C@@H](C)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000901658750 1129941810 /nfs/dbraw/zinc/94/18/10/1129941810.db2.gz XVZFAKMJJLFSMY-GFCCVEGCSA-N 0 1 299.361 3.678 20 0 CHADMN CC=C(C=CC(=O)Nc1ccc2c(C)[nH]nc2c1)CC ZINC000770259957 1129942910 /nfs/dbraw/zinc/94/29/10/1129942910.db2.gz YEAHATPEBDVCRI-IXOOULEFSA-N 0 1 269.348 3.722 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C=Cc3ccccc3)ccc12 ZINC000770257646 1129942932 /nfs/dbraw/zinc/94/29/32/1129942932.db2.gz ICVNIOMHXSRWIK-YFHOEESVSA-N 0 1 277.327 3.523 20 0 CHADMN CC(C)C(C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1)C(C)C ZINC000901670050 1129943328 /nfs/dbraw/zinc/94/33/28/1129943328.db2.gz ZWNXUXHRPDPNDX-UHFFFAOYSA-N 0 1 289.419 3.671 20 0 CHADMN CCCCC[C@H](C)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000801807795 1129946299 /nfs/dbraw/zinc/94/62/99/1129946299.db2.gz MOZRSFYXWKZYDM-NSHDSACASA-N 0 1 273.380 3.570 20 0 CHADMN CC1(C[N@@H+](CCCC(=O)[O-])Cc2ccccc2)CCCC1 ZINC000901800687 1129954745 /nfs/dbraw/zinc/95/47/45/1129954745.db2.gz MMKMAHILILSJCJ-UHFFFAOYSA-N 0 1 289.419 3.934 20 0 CHADMN Cc1cccc(-c2nnc([C@@H](C)N3CCCC4(CC4)C3)o2)c1 ZINC000770702304 1129957099 /nfs/dbraw/zinc/95/70/99/1129957099.db2.gz XPXYYQSFFXXJNN-CQSZACIVSA-N 0 1 297.402 3.982 20 0 CHADMN Fc1ccc(CN2CC[C@@H](c3cccc(Cl)c3)C2)cn1 ZINC001137741770 1131410347 /nfs/dbraw/zinc/41/03/47/1131410347.db2.gz WPPFHJJFEYUVRU-CQSZACIVSA-N 0 1 290.769 3.864 20 0 CHADMN CC[C@H]1CCC[C@@H](C[N@H+]2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)C1 ZINC000901917865 1129966263 /nfs/dbraw/zinc/96/62/63/1129966263.db2.gz MQANPSKXBABUES-DFGXFYAUSA-N 0 1 293.451 3.780 20 0 CHADMN Cc1cc(C)c(/C=C/C[N@H+]2CCCC[C@@H]2C(=O)[O-])c(C)c1 ZINC000901967417 1129968589 /nfs/dbraw/zinc/96/85/89/1129968589.db2.gz JSCJDQSBUMXJBA-DKRLNXSXSA-N 0 1 287.403 3.564 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000901977999 1129969009 /nfs/dbraw/zinc/96/90/09/1129969009.db2.gz CQIDQNQILLPCKV-FUHWJXTLSA-N 0 1 289.419 3.682 20 0 CHADMN Cc1cc(C)c(/C=C\C[N@@H+](CCC(=O)[O-])C2CC2)c(C)c1 ZINC000901972904 1129969199 /nfs/dbraw/zinc/96/91/99/1129969199.db2.gz UXUAHSCVJCUWGO-PLNGDYQASA-N 0 1 287.403 3.564 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@@H+](CCC(=O)[O-])C1CC1 ZINC000901971580 1129969321 /nfs/dbraw/zinc/96/93/21/1129969321.db2.gz XOCQRDZULLZSNL-AWEZNQCLSA-N 0 1 267.413 3.698 20 0 CHADMN C[C@H](C[N@@H+](C[C@H](C)c1cccc(Cl)c1)C1CC1)C(=O)[O-] ZINC000901995129 1129970376 /nfs/dbraw/zinc/97/03/76/1129970376.db2.gz XRKCNVSHPDNARM-NWDGAFQWSA-N 0 1 295.810 3.629 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000902016488 1129972160 /nfs/dbraw/zinc/97/21/60/1129972160.db2.gz LEMNLCBYSXPPKH-ZUZCIYMTSA-N 0 1 295.810 3.642 20 0 CHADMN CCCC[C@H](CC)CC[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000902039125 1129973346 /nfs/dbraw/zinc/97/33/46/1129973346.db2.gz ZHSOQRAHOHAMLQ-AWEZNQCLSA-N 0 1 269.429 3.922 20 0 CHADMN C[C@H](CCc1ccccc1)C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000902034748 1129973386 /nfs/dbraw/zinc/97/33/86/1129973386.db2.gz LAWWOQIIBLAFHT-NVXWUHKLSA-N 0 1 289.419 3.585 20 0 CHADMN CCCCCCN(C)Cc1nc(-c2ccc(C)o2)no1 ZINC000771188922 1129973888 /nfs/dbraw/zinc/97/38/88/1129973888.db2.gz VLWHIINOIJPYSJ-UHFFFAOYSA-N 0 1 277.368 3.650 20 0 CHADMN CNc1ccc(C)cc1CNCc1ccc(F)c(F)c1 ZINC000902102944 1129979936 /nfs/dbraw/zinc/97/99/36/1129979936.db2.gz DTPSBALCMIPAPQ-UHFFFAOYSA-N 0 1 276.330 3.605 20 0 CHADMN CCCCC1CCN(Cc2c(C)nn(C)c2Cl)CC1 ZINC001137746286 1131411726 /nfs/dbraw/zinc/41/17/26/1131411726.db2.gz IWURUUNQMRBYHV-UHFFFAOYSA-N 0 1 283.847 3.784 20 0 CHADMN C[C@@H]1CCC[C@@H](CN(C)Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000771443103 1129981092 /nfs/dbraw/zinc/98/10/92/1129981092.db2.gz HXRDIVXDFTWPLE-ZIAGYGMSSA-N 0 1 299.418 3.594 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@@H](F)c1ccccc1 ZINC000771502389 1129982944 /nfs/dbraw/zinc/98/29/44/1129982944.db2.gz AMHDHRLCGAHVEW-LBPRGKRZSA-N 0 1 297.688 3.834 20 0 CHADMN CC(=O)CCN(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000771882258 1129992569 /nfs/dbraw/zinc/99/25/69/1129992569.db2.gz YIGZDROCEOHZBW-UHFFFAOYSA-N 0 1 285.362 3.807 20 0 CHADMN CCN(C(=O)c1c(O)cccc1F)c1ccc(Cl)cc1 ZINC000771966567 1129998684 /nfs/dbraw/zinc/99/86/84/1129998684.db2.gz BAILKRHZFWDXRZ-UHFFFAOYSA-N 0 1 293.725 3.851 20 0 CHADMN Cc1cn[nH]c1CS[C@H](C)c1cccc(F)c1 ZINC000902307720 1129999100 /nfs/dbraw/zinc/99/91/00/1129999100.db2.gz SJJNFHPHEHCBAD-SNVBAGLBSA-N 0 1 250.342 3.852 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000902308249 1129999453 /nfs/dbraw/zinc/99/94/53/1129999453.db2.gz WFBZBGJZADHDRO-HJWRWDBZSA-N 0 1 291.391 3.780 20 0 CHADMN Cc1ccc([C@H]2CC[N@@H+](Cc3cc(C(=O)[O-])co3)C2)c(C)c1 ZINC000902450551 1130012876 /nfs/dbraw/zinc/01/28/76/1130012876.db2.gz JWUDQSRLSVIHIK-AWEZNQCLSA-N 0 1 299.370 3.584 20 0 CHADMN CCn1cnc(CN[C@@H](CC2CCC2)c2ccccc2)c1 ZINC000902469620 1130014646 /nfs/dbraw/zinc/01/46/46/1130014646.db2.gz YVETWKSLMNHQNO-SFHVURJKSA-N 0 1 283.419 3.924 20 0 CHADMN CCn1cnc(CN[C@@H]2c3ccccc3CC[C@@H]2C(C)C)c1 ZINC000902490710 1130017442 /nfs/dbraw/zinc/01/74/42/1130017442.db2.gz URWGSOHGTPRUBJ-MJGOQNOKSA-N 0 1 297.446 3.952 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902521927 1130020245 /nfs/dbraw/zinc/02/02/45/1130020245.db2.gz VNGXCKJQMXCPQY-BWZZMRCASA-N 0 1 291.391 3.778 20 0 CHADMN C[C@@H]1CCCCC[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902533002 1130021811 /nfs/dbraw/zinc/02/18/11/1130021811.db2.gz SOQMJSMFKVXLFQ-CYBMUJFWSA-N 0 1 298.386 3.698 20 0 CHADMN C[C@H](C1CCCCC1)N(C)Cc1coc(C2CC2)n1 ZINC000802659327 1130027608 /nfs/dbraw/zinc/02/76/08/1130027608.db2.gz QCTHLCLLKSOXMJ-GFCCVEGCSA-N 0 1 262.397 3.953 20 0 CHADMN CCn1cnc(CN[C@H](c2cccc(C)c2)C(C)C)c1 ZINC000902626283 1130032321 /nfs/dbraw/zinc/03/23/21/1130032321.db2.gz UICJWMPMILESES-KRWDZBQOSA-N 0 1 271.408 3.698 20 0 CHADMN CCc1ccc2ccccc2c1CNCc1cn(CC)cn1 ZINC000902658028 1130035148 /nfs/dbraw/zinc/03/51/48/1130035148.db2.gz NVCQGZPRKMRYCT-UHFFFAOYSA-N 0 1 293.414 3.908 20 0 CHADMN COc1ccc2c(c1)nccc2-c1cc2[nH]ccc2cn1 ZINC001239665956 1130041853 /nfs/dbraw/zinc/04/18/53/1130041853.db2.gz HGULTHZYQHIKSX-UHFFFAOYSA-N 0 1 275.311 3.787 20 0 CHADMN Cc1c2[nH]cnc2ccc1-c1cccc(O)c1Cl ZINC001242800254 1130055312 /nfs/dbraw/zinc/05/53/12/1130055312.db2.gz KRPKIJGEYDXPCO-UHFFFAOYSA-N 0 1 258.708 3.897 20 0 CHADMN Nc1cc[nH+]c2cc(-c3cccc([O-])c3Cl)ccc12 ZINC001242802447 1130057417 /nfs/dbraw/zinc/05/74/17/1130057417.db2.gz HWJHLTHLAQMDOW-UHFFFAOYSA-N 0 1 270.719 3.843 20 0 CHADMN Cc1cccc(-c2ccc(N3CCN(C)CC3)cc2)c1C ZINC001239716551 1130070169 /nfs/dbraw/zinc/07/01/69/1130070169.db2.gz TWNUBFZPCDSCIJ-UHFFFAOYSA-N 0 1 280.415 3.722 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)OCc1ccc(CF)cc1 ZINC000786345688 1130087538 /nfs/dbraw/zinc/08/75/38/1130087538.db2.gz XHKUJNVHNTUBMI-UHFFFAOYSA-N 0 1 290.338 3.668 20 0 CHADMN Clc1ccc(CN[C@H]2CCCc3n[nH]cc32)cc1Cl ZINC000689220961 1130090763 /nfs/dbraw/zinc/09/07/63/1130090763.db2.gz YCFWCJOZFZGEJN-ZDUSSCGKSA-N 0 1 296.201 3.884 20 0 CHADMN CC(C)(C)OCc1cc(CNC2C[C@H]3CCC[C@@H]3C2)no1 ZINC000902960872 1130091997 /nfs/dbraw/zinc/09/19/97/1130091997.db2.gz ZDOZDUCGNGVPSP-CHWSQXEVSA-N 0 1 292.423 3.658 20 0 CHADMN FC1(F)CCC[C@@H]1N[C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902989344 1130096117 /nfs/dbraw/zinc/09/61/17/1130096117.db2.gz BDFUUCBLNBULHW-ZNMIVQPWSA-N 0 1 287.394 3.749 20 0 CHADMN FC1(F)CCC[C@@H]1N[C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902989342 1130096314 /nfs/dbraw/zinc/09/63/14/1130096314.db2.gz BDFUUCBLNBULHW-KFWWJZLASA-N 0 1 287.394 3.749 20 0 CHADMN CCc1nc(OC)ccc1-c1cc(N2CCCCC2)ccn1 ZINC001239768768 1130099644 /nfs/dbraw/zinc/09/96/44/1130099644.db2.gz WOVRDSPLSJJHSJ-UHFFFAOYSA-N 0 1 297.402 3.705 20 0 CHADMN CC(=O)OCc1cccc([C@H](C)N[C@H](C)c2ccccn2)c1 ZINC000903056394 1130106795 /nfs/dbraw/zinc/10/67/95/1130106795.db2.gz UDQNKOQJEGRXKE-UONOGXRCSA-N 0 1 298.386 3.557 20 0 CHADMN CC[C@@H](N[C@@H](c1nncn1C)C(C)C)c1ccc(C)cc1 ZINC000903061205 1130106943 /nfs/dbraw/zinc/10/69/43/1130106943.db2.gz LCLDFLFQPRCBGQ-HZPDHXFCSA-N 0 1 286.423 3.562 20 0 CHADMN CC(C)[C@H](N[C@H]1CC(C)(C)c2ccccc21)c1nncn1C ZINC000903062347 1130107084 /nfs/dbraw/zinc/10/70/84/1130107084.db2.gz UJPNTCOEZULVIU-HOTGVXAUSA-N 0 1 298.434 3.524 20 0 CHADMN CC(C)[C@H](N[C@@H]1CC(C)(C)c2ccccc21)c1nncn1C ZINC000903062346 1130107098 /nfs/dbraw/zinc/10/70/98/1130107098.db2.gz UJPNTCOEZULVIU-CVEARBPZSA-N 0 1 298.434 3.524 20 0 CHADMN c1ccc2ncc(-c3cc(N4CCCC4)ccn3)cc2c1 ZINC001239792173 1130109141 /nfs/dbraw/zinc/10/91/41/1130109141.db2.gz RLYYQQJCDUDGFV-UHFFFAOYSA-N 0 1 275.355 3.897 20 0 CHADMN Cc1cccc2c1[C@H](N[C@H](C)CCCC(C)C)C(=O)N2 ZINC001170061336 1130110223 /nfs/dbraw/zinc/11/02/23/1130110223.db2.gz LUMQTKHPBBSFRA-CJNGLKHVSA-N 0 1 274.408 3.793 20 0 CHADMN CC[C@@H](N[C@H](C)c1cn(C)nn1)c1cccc2ccccc21 ZINC000903095112 1130111223 /nfs/dbraw/zinc/11/12/23/1130111223.db2.gz UDHMHJQWKCLACF-CXAGYDPISA-N 0 1 294.402 3.770 20 0 CHADMN Cc1ccc(-c2nc3nc[nH]c3c(C(F)(F)F)n2)c(C)c1 ZINC001239808845 1130117173 /nfs/dbraw/zinc/11/71/73/1130117173.db2.gz AHBYZEBIZLQMTE-UHFFFAOYSA-N 0 1 292.264 3.607 20 0 CHADMN CO[C@@H]1CCC[C@@H]1N[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000903130833 1130117466 /nfs/dbraw/zinc/11/74/66/1130117466.db2.gz OUKQMIAUVZEHRY-UHOSZYNNSA-N 0 1 296.414 3.637 20 0 CHADMN COC[C@H](N[C@@H](C)c1ccc[nH]1)c1ccc(Cl)cc1 ZINC000786867443 1130119863 /nfs/dbraw/zinc/11/98/63/1130119863.db2.gz AEZQPYXXCDZFCY-NHYWBVRUSA-N 0 1 278.783 3.706 20 0 CHADMN COc1cccc(-c2cc3nc[nH]c3cc2C)c1OC ZINC001239815808 1130121042 /nfs/dbraw/zinc/12/10/42/1130121042.db2.gz WQECHIOGFXXQPL-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2cnn(CC3CCC3)c2)cn1 ZINC000903187195 1130125921 /nfs/dbraw/zinc/12/59/21/1130125921.db2.gz ROXWNGMYVDJFKP-OAHLLOKOSA-N 0 1 298.434 3.546 20 0 CHADMN Cc1cc(C)c(CN[C@@H](C)c2cnn(CC3CCC3)c2)cn1 ZINC000903187194 1130125942 /nfs/dbraw/zinc/12/59/42/1130125942.db2.gz ROXWNGMYVDJFKP-HNNXBMFYSA-N 0 1 298.434 3.546 20 0 CHADMN Cc1nc(F)ccc1CN(Cc1ccc(F)cc1)C1CC1 ZINC000787042783 1130126889 /nfs/dbraw/zinc/12/68/89/1130126889.db2.gz UEJZHXCXCNBYDI-UHFFFAOYSA-N 0 1 288.341 3.833 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1cnn(CC2CCC2)c1 ZINC000903209143 1130130260 /nfs/dbraw/zinc/13/02/60/1130130260.db2.gz HCXHNTBLFHLKGZ-VBNZEHGJSA-N 0 1 279.403 3.615 20 0 CHADMN Cc1nc(F)ccc1CN(C)Cc1ccc(Cl)cc1 ZINC000787059498 1130130959 /nfs/dbraw/zinc/13/09/59/1130130959.db2.gz ZROIOMULUPZLNW-UHFFFAOYSA-N 0 1 278.758 3.815 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cncs2)cc1C ZINC000903235000 1130133350 /nfs/dbraw/zinc/13/33/50/1130133350.db2.gz VARVQXLXQBGBPS-NEPJUHHUSA-N 0 1 276.405 3.872 20 0 CHADMN c1nc2c(s1)CCC[C@@H]2N[C@H]1CCOC12CCCCC2 ZINC000903267974 1130140472 /nfs/dbraw/zinc/14/04/72/1130140472.db2.gz JCEYQIIGZCYVIB-JSGCOSHPSA-N 0 1 292.448 3.602 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncs1)c1ccc(F)cc1N(C)C ZINC000903308681 1130149535 /nfs/dbraw/zinc/14/95/35/1130149535.db2.gz BEBPUIIVEQXRIU-MNOVXSKESA-N 0 1 293.411 3.760 20 0 CHADMN Cc1ccc([C@@H](C)NCc2c(C)cc(CO)cc2C)o1 ZINC000903306974 1130150070 /nfs/dbraw/zinc/15/00/70/1130150070.db2.gz FZCYCGXKYGBQBK-CQSZACIVSA-N 0 1 273.376 3.548 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2cncs2)cs1 ZINC000903308720 1130150081 /nfs/dbraw/zinc/15/00/81/1130150081.db2.gz BKEXEJPRAIAISP-NXEZZACHSA-N 0 1 252.408 3.925 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2cncs2)cs1 ZINC000903308722 1130150167 /nfs/dbraw/zinc/15/01/67/1130150167.db2.gz BKEXEJPRAIAISP-VHSXEESVSA-N 0 1 252.408 3.925 20 0 CHADMN CCc1nc(C)c([C@@H](C)N[C@H](C)c2cncs2)s1 ZINC000903309648 1130151009 /nfs/dbraw/zinc/15/10/09/1130151009.db2.gz GDRUKSIAPMHNNF-RKDXNWHRSA-N 0 1 281.450 3.882 20 0 CHADMN Cc1cccnc1[C@@H](N[C@H](C)c1cnn(C)c1)C(C)(C)C ZINC000903327918 1130155989 /nfs/dbraw/zinc/15/59/89/1130155989.db2.gz BHXASYGSMRTMIU-CZUORRHYSA-N 0 1 286.423 3.562 20 0 CHADMN Fc1cccc(C2CC(N[C@@H](c3ncccn3)C3CC3)C2)c1 ZINC000903327152 1130156100 /nfs/dbraw/zinc/15/61/00/1130156100.db2.gz PYKBNSBOQQEODD-BDVYOWHSSA-N 0 1 297.377 3.603 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@@H](c1ccccn1)C1CC1)CC2 ZINC000903338713 1130161819 /nfs/dbraw/zinc/16/18/19/1130161819.db2.gz IWGBTKHUXYIRJK-SJLPKXTDSA-N 0 1 282.362 3.949 20 0 CHADMN COc1cccc([C@@H](C)N[C@@H](c2ccccn2)C2CC2)c1 ZINC000903339092 1130162301 /nfs/dbraw/zinc/16/23/01/1130162301.db2.gz KNTLRKHGSJRYCY-FZKQIMNGSA-N 0 1 282.387 3.892 20 0 CHADMN COc1cccc([C@@H](C)N[C@H](c2ccccn2)C2CC2)c1 ZINC000903339091 1130162437 /nfs/dbraw/zinc/16/24/37/1130162437.db2.gz KNTLRKHGSJRYCY-ACJLOTCBSA-N 0 1 282.387 3.892 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H](c1ccccn1)C1CC1 ZINC000903341461 1130162867 /nfs/dbraw/zinc/16/28/67/1130162867.db2.gz YMBOMNCGCWGCIS-DYVFJYSZSA-N 0 1 267.376 3.587 20 0 CHADMN Cc1noc(C)c1CN(C)CCc1ccc(F)cc1Cl ZINC000787772659 1130162929 /nfs/dbraw/zinc/16/29/29/1130162929.db2.gz JRHIDLDYDBPETQ-UHFFFAOYSA-N 0 1 296.773 3.758 20 0 CHADMN c1c[nH]c([C@H](NC[C@H]2CCC=CCCC2)c2cccnc2)n1 ZINC000903344615 1130164100 /nfs/dbraw/zinc/16/41/00/1130164100.db2.gz INNBGVXWXYQKEU-DOTOQJQBSA-N 0 1 296.418 3.620 20 0 CHADMN COCc1ccccc1-c1cc2nc[nH]c2c(C)c1 ZINC001239951871 1130168047 /nfs/dbraw/zinc/16/80/47/1130168047.db2.gz MAFUAKNQNLKXGU-UHFFFAOYSA-N 0 1 252.317 3.685 20 0 CHADMN COCc1ccccc1-c1cc(F)c2c(c1)CN(C)CC2 ZINC001239955453 1130170286 /nfs/dbraw/zinc/17/02/86/1130170286.db2.gz QMIMAFQDABUVAJ-UHFFFAOYSA-N 0 1 285.362 3.627 20 0 CHADMN CCC[C@H](N[C@@H]1COC[C@@H]1C1CC1)c1ncccc1Cl ZINC000903441133 1130177477 /nfs/dbraw/zinc/17/74/77/1130177477.db2.gz XVHHQUALNGEQBW-VHDGCEQUSA-N 0 1 294.826 3.591 20 0 CHADMN CC(C)Oc1cccc(-c2ccc(CN(C)C)cn2)c1 ZINC001239968597 1130177517 /nfs/dbraw/zinc/17/75/17/1130177517.db2.gz RQXSZMUJZFRJEF-UHFFFAOYSA-N 0 1 270.376 3.597 20 0 CHADMN CCCOc1ccc(-c2cccc3[nH]nnc32)c(F)c1F ZINC001239969962 1130178786 /nfs/dbraw/zinc/17/87/86/1130178786.db2.gz YXFTVEUXYWCJPV-UHFFFAOYSA-N 0 1 289.285 3.692 20 0 CHADMN C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903473948 1130180016 /nfs/dbraw/zinc/18/00/16/1130180016.db2.gz CNAGUMILWFWGBB-NSHDSACASA-N 0 1 264.319 3.788 20 0 CHADMN CCc1ccc2ccccc2c1C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000903602580 1130184438 /nfs/dbraw/zinc/18/44/38/1130184438.db2.gz JUSMCVKQBHZSCY-BBRMVZONSA-N 0 1 297.398 3.697 20 0 CHADMN O=C([O-])CCCCC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000903621013 1130184913 /nfs/dbraw/zinc/18/49/13/1130184913.db2.gz MLACJCKINXMQGE-BBRMVZONSA-N 0 1 273.376 3.566 20 0 CHADMN COc1cc(F)ccc1-c1cc2[nH]cnc2cc1C ZINC001239996077 1130185378 /nfs/dbraw/zinc/18/53/78/1130185378.db2.gz CXTUAEJYQYXLIK-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCCCC(=O)[O-] ZINC000903632128 1130185371 /nfs/dbraw/zinc/18/53/71/1130185371.db2.gz SZJFAJSSJQBWGR-RDJZCZTQSA-N 0 1 289.419 3.900 20 0 CHADMN COc1cc(F)ccc1-c1ccc(CN(C)C)c(F)c1 ZINC001240000268 1130187071 /nfs/dbraw/zinc/18/70/71/1130187071.db2.gz KFTCQASURLTSPM-UHFFFAOYSA-N 0 1 277.314 3.702 20 0 CHADMN CC(C)[C@H]1[N@@H+](Cc2ccc(C(=O)[O-])s2)CC12CCCC2 ZINC000903690697 1130189166 /nfs/dbraw/zinc/18/91/66/1130189166.db2.gz OOGUZLAMPQHMEL-CQSZACIVSA-N 0 1 293.432 3.847 20 0 CHADMN Cc1cccc(CN[C@@H]2CCc3ccc(Cl)nc32)c1 ZINC000788505999 1130191349 /nfs/dbraw/zinc/19/13/49/1130191349.db2.gz LHBYVSKFHAVQIT-CQSZACIVSA-N 0 1 272.779 3.821 20 0 CHADMN O=C([O-])C1(CC[N@H+]2CCCC[C@@H]2CC2CCC2)CCC1 ZINC000903707342 1130192108 /nfs/dbraw/zinc/19/21/08/1130192108.db2.gz UXIQWFQAYDSFCG-OAHLLOKOSA-N 0 1 279.424 3.676 20 0 CHADMN COc1ccc(-c2cc3[nH]ccc3c(C)n2)c(F)c1 ZINC001240020279 1130195025 /nfs/dbraw/zinc/19/50/25/1130195025.db2.gz SLUQKCMMYIGCCV-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN CC[C@H](N[C@H]1CCc2ccc(Cl)nc21)c1ccncc1 ZINC000788608479 1130195574 /nfs/dbraw/zinc/19/55/74/1130195574.db2.gz GDCDADMUFIYZFW-KBPBESRZSA-N 0 1 287.794 3.858 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc[nH]c(=O)c1)c1c(F)cccc1Cl ZINC000788669415 1130202094 /nfs/dbraw/zinc/20/20/94/1130202094.db2.gz ZSZDETDPDFOGJX-VHSXEESVSA-N 0 1 294.757 3.992 20 0 CHADMN C[N@@H+](CC1CCCCC1)[C@H](CCc1ccccc1)C(=O)[O-] ZINC000903887476 1130208775 /nfs/dbraw/zinc/20/87/75/1130208775.db2.gz SHEUMZNVNMGNFT-QGZVFWFLSA-N 0 1 289.419 3.585 20 0 CHADMN CC1(C)CCC[N@H+]([C@@H](CCc2ccccc2)C(=O)[O-])CC1 ZINC000903894539 1130209051 /nfs/dbraw/zinc/20/90/51/1130209051.db2.gz YYFLZKZUJXYWMG-INIZCTEOSA-N 0 1 289.419 3.585 20 0 CHADMN CC1(C)C[C@H](c2ccccc2)C[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000903934269 1130210163 /nfs/dbraw/zinc/21/01/63/1130210163.db2.gz LCUMLLMODMAVAB-HNNXBMFYSA-N 0 1 299.370 3.746 20 0 CHADMN C[C@@H]([N@@H+](C)Cc1ccc(C(=O)[O-])c2cccnc12)C1(C)CC1 ZINC000903899297 1130210232 /nfs/dbraw/zinc/21/02/32/1130210232.db2.gz XDZGEOVDOVSARW-GFCCVEGCSA-N 0 1 298.386 3.553 20 0 CHADMN CC(C)CNC(=O)c1cccc(-c2cc3[nH]ccc3cn2)c1 ZINC001240089236 1130211304 /nfs/dbraw/zinc/21/13/04/1130211304.db2.gz ILFREZLSYBCUKG-UHFFFAOYSA-N 0 1 293.370 3.616 20 0 CHADMN CCC(C)(C)CC[N@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]1C ZINC000903951457 1130212036 /nfs/dbraw/zinc/21/20/36/1130212036.db2.gz KGKDBRSSJPWZKU-RFQIPJPRSA-N 0 1 269.429 3.632 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCCC(C)(C)C)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903953600 1130213055 /nfs/dbraw/zinc/21/30/55/1130213055.db2.gz ULCRFHKKFGIQKQ-ZOBORPQBSA-N 0 1 269.429 3.632 20 0 CHADMN CCc1cccc(C[N@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]2C)c1 ZINC000903954879 1130213067 /nfs/dbraw/zinc/21/30/67/1130213067.db2.gz ZVHOZOGZMVRXNE-CFAJVAMVSA-N 0 1 289.419 3.569 20 0 CHADMN Cc1cc(C[N@@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)c(C)s1 ZINC000903951709 1130213665 /nfs/dbraw/zinc/21/36/65/1130213665.db2.gz VAHKPDNDSIUGOR-PETRGTFGSA-N 0 1 295.448 3.685 20 0 CHADMN CC[C@@H]1CCC[C@@H](CN(C)Cc2ncc(Cl)n2C)C1 ZINC000753571836 1130218068 /nfs/dbraw/zinc/21/80/68/1130218068.db2.gz YUZGCFXZOUQWFB-CHWSQXEVSA-N 0 1 283.847 3.722 20 0 CHADMN Cc1n[nH]c(C)c1-c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC001240126478 1130218444 /nfs/dbraw/zinc/21/84/44/1130218444.db2.gz ZJAZODQTPUJBAP-UHFFFAOYSA-N 0 1 280.253 3.589 20 0 CHADMN O[C@@H](CN1CC[C@H]1c1ccccc1)c1cccc(Cl)c1 ZINC000748820897 1130249893 /nfs/dbraw/zinc/24/98/93/1130249893.db2.gz XJXXBSKJZMUXRH-IRXDYDNUSA-N 0 1 287.790 3.820 20 0 CHADMN FC(F)(F)c1ccc(-c2nccc3[nH]ccc32)cn1 ZINC001240264052 1130251471 /nfs/dbraw/zinc/25/14/71/1130251471.db2.gz GSCANSNZKNWCRE-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN Cc1c(F)cccc1-c1cccc(CCN2CCOCC2)c1 ZINC001240266399 1130252415 /nfs/dbraw/zinc/25/24/15/1130252415.db2.gz WNUUCNVUCDVOKL-UHFFFAOYSA-N 0 1 299.389 3.676 20 0 CHADMN Cc1cc(F)cc(-c2cccc(CCN3CCOCC3)c2)c1 ZINC001240266036 1130252444 /nfs/dbraw/zinc/25/24/44/1130252444.db2.gz PXWXHRANKANCKH-UHFFFAOYSA-N 0 1 299.389 3.676 20 0 CHADMN CCC/C=C\C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000749050419 1130261685 /nfs/dbraw/zinc/26/16/85/1130261685.db2.gz LOJKAQJLCVKAAH-PLNGDYQASA-N 0 1 297.280 3.877 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1ccnc(C(F)(F)F)c1 ZINC001240339334 1130269699 /nfs/dbraw/zinc/26/96/99/1130269699.db2.gz VUTXTUWOLIUDHN-UHFFFAOYSA-N 0 1 277.249 3.952 20 0 CHADMN C[C@H](c1ccc(Cl)cc1Cl)N1CCc2cn[nH]c2C1 ZINC000676792258 1130272275 /nfs/dbraw/zinc/27/22/75/1130272275.db2.gz GJYSQGOZFWPAGW-SECBINFHSA-N 0 1 296.201 3.836 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)N1CCc2cn[nH]c2C1 ZINC000676893127 1130275315 /nfs/dbraw/zinc/27/53/15/1130275315.db2.gz APJLVOUZMRCKPS-SECBINFHSA-N 0 1 296.201 3.836 20 0 CHADMN Cc1c(CN(C)[C@@H]2CCc3ccccc32)nc2ccccn12 ZINC001137277165 1130280306 /nfs/dbraw/zinc/28/03/06/1130280306.db2.gz SPWLJTXXNHWYMU-GOSISDBHSA-N 0 1 291.398 3.762 20 0 CHADMN c1ccc(CN2Cc3ccc(-c4cncnc4)cc3C2)cc1 ZINC001240377896 1130282801 /nfs/dbraw/zinc/28/28/01/1130282801.db2.gz XRPURPNUSIZWQN-UHFFFAOYSA-N 0 1 287.366 3.659 20 0 CHADMN Cc1cnc(C2=CCCN(Cc3ccccc3)C2)c(F)c1 ZINC001240384884 1130284459 /nfs/dbraw/zinc/28/44/59/1130284459.db2.gz HSMSYHYYCDEFGX-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN CC(C)(C)Oc1ccncc1NCc1[nH]nc2ccccc21 ZINC000677149942 1130294471 /nfs/dbraw/zinc/29/44/71/1130294471.db2.gz KBLJHPQHUQYELG-UHFFFAOYSA-N 0 1 296.374 3.747 20 0 CHADMN COC(=O)c1cc2cc(-c3cc(C)sc3C)cnc2[nH]1 ZINC001240430182 1130307501 /nfs/dbraw/zinc/30/75/01/1130307501.db2.gz HFCHCERWCVJCPF-UHFFFAOYSA-N 0 1 286.356 3.695 20 0 CHADMN CC(C)(C)OC(=O)c1ccc(-c2ccc3cncn3c2)cc1 ZINC001240440656 1130314222 /nfs/dbraw/zinc/31/42/22/1130314222.db2.gz HPRLQKUKWLXVMB-UHFFFAOYSA-N 0 1 294.354 3.957 20 0 CHADMN C[C@@H](c1ccncc1)N1Cc2ccccc2OC(C)(C)C1 ZINC000677514873 1130315244 /nfs/dbraw/zinc/31/52/44/1130315244.db2.gz SRMRNKHNCBYOEX-AWEZNQCLSA-N 0 1 282.387 3.816 20 0 CHADMN c1coc([C@@H]2CCN(Cc3csc(C4CC4)n3)C2)c1 ZINC000677555135 1130315753 /nfs/dbraw/zinc/31/57/53/1130315753.db2.gz FUFKGANJXWYHEY-GFCCVEGCSA-N 0 1 274.389 3.603 20 0 CHADMN CCOc1cc(F)ccc1NCc1[nH]nc2ccccc21 ZINC000677661229 1130321307 /nfs/dbraw/zinc/32/13/07/1130321307.db2.gz JYRJSZVHSQUTMO-UHFFFAOYSA-N 0 1 285.322 3.713 20 0 CHADMN CCN(Cc1cnc2ccc(C)cn12)Cc1ccc(C)cc1 ZINC001137310599 1130328030 /nfs/dbraw/zinc/32/80/30/1130328030.db2.gz GXIFWGSXCHVXMS-UHFFFAOYSA-N 0 1 293.414 3.973 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2cnc(C)s2)cc1 ZINC000677753299 1130328923 /nfs/dbraw/zinc/32/89/23/1130328923.db2.gz FKOKGJIQUKLLSE-NSHDSACASA-N 0 1 276.405 3.701 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2CSc3ccccc32)s1 ZINC000677756384 1130330103 /nfs/dbraw/zinc/33/01/03/1130330103.db2.gz WRFASDBSOYWWNC-BXKDBHETSA-N 0 1 276.430 3.949 20 0 CHADMN C[C@@H](NCc1[nH]nc2ccccc21)c1cccc(F)c1F ZINC000678017121 1130341514 /nfs/dbraw/zinc/34/15/14/1130341514.db2.gz XOYZGDLPBAPLOS-SNVBAGLBSA-N 0 1 287.313 3.692 20 0 CHADMN Fc1ccc(C(F)(F)F)c(-c2cc3[nH]nnc3cc2F)c1 ZINC001240532528 1130346421 /nfs/dbraw/zinc/34/64/21/1130346421.db2.gz PBVQEQOHWFZYGI-UHFFFAOYSA-N 0 1 299.202 3.922 20 0 CHADMN c1ncn2cccc(-c3cccc(N4CCCC4)c3)c12 ZINC001240536459 1130348513 /nfs/dbraw/zinc/34/85/13/1130348513.db2.gz BZRQITPEKJBEIY-UHFFFAOYSA-N 0 1 263.344 3.602 20 0 CHADMN CCc1cc(CN[C@H]2C[C@@H](C)c3c2cccc3C)on1 ZINC000678115726 1130350300 /nfs/dbraw/zinc/35/03/00/1130350300.db2.gz YUEDFYLLPIATFP-WBMJQRKESA-N 0 1 270.376 3.884 20 0 CHADMN Cc1ccc(CN(C)Cc2nccc3ccccc32)o1 ZINC000678123181 1130352656 /nfs/dbraw/zinc/35/26/56/1130352656.db2.gz LSJSMPGERMRKDY-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN Cc1nc2sccn2c1CN(C)[C@H]1CCc2ccccc21 ZINC000678131667 1130353819 /nfs/dbraw/zinc/35/38/19/1130353819.db2.gz KXUYPSLXDJKDDX-HNNXBMFYSA-N 0 1 297.427 3.824 20 0 CHADMN CN(Cc1ccsc1)Cc1cnc2ccccc2c1 ZINC000678126251 1130355558 /nfs/dbraw/zinc/35/55/58/1130355558.db2.gz LDDXVMNDZIZCSV-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN Clc1cnccc1CN1CCC(c2cccnc2)CC1 ZINC000678170922 1130366205 /nfs/dbraw/zinc/36/62/05/1130366205.db2.gz YIVYZLMMWDPYSO-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN CCN(Cc1cn[nH]c1)[C@H](C)c1cc2ccccc2o1 ZINC000678213923 1130373252 /nfs/dbraw/zinc/37/32/52/1130373252.db2.gz JHHIMKAWXVAVPW-GFCCVEGCSA-N 0 1 269.348 3.739 20 0 CHADMN Cc1ccc(CN(C)Cc2n[nH]c3ccccc32)s1 ZINC000678237054 1130375624 /nfs/dbraw/zinc/37/56/24/1130375624.db2.gz CWDAGVURPJEXST-UHFFFAOYSA-N 0 1 271.389 3.565 20 0 CHADMN Cc1ccc(CN(C)Cc2[nH]nc3ccccc32)s1 ZINC000678237054 1130375630 /nfs/dbraw/zinc/37/56/30/1130375630.db2.gz CWDAGVURPJEXST-UHFFFAOYSA-N 0 1 271.389 3.565 20 0 CHADMN Cc1cccc2ncc(CN3CCCc4sccc4C3)n21 ZINC000678259106 1130380199 /nfs/dbraw/zinc/38/01/99/1130380199.db2.gz BCZYXWMKFXGONN-UHFFFAOYSA-N 0 1 297.427 3.653 20 0 CHADMN CCOC(=O)CN([C@H](C)c1ccccc1)[C@@H]1CC[C@@H](C)C1 ZINC001170156179 1130382020 /nfs/dbraw/zinc/38/20/20/1130382020.db2.gz AUKXAEYCLDLUNY-BFYDXBDKSA-N 0 1 289.419 3.801 20 0 CHADMN C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1[C@H](C)C[C@@H]1C ZINC000791575607 1130383141 /nfs/dbraw/zinc/38/31/41/1130383141.db2.gz XIPYFOKLAJRTNY-MJBXVCDLSA-N 0 1 288.435 3.794 20 0 CHADMN CC[C@@H](CN1CCOC[C@H]1c1ccco1)c1ccccc1 ZINC000678264070 1130383211 /nfs/dbraw/zinc/38/32/11/1130383211.db2.gz JUWBSQSDAOMQKG-RDJZCZTQSA-N 0 1 285.387 3.847 20 0 CHADMN C[C@H]1COCCCN1Cc1c(Cl)oc2ccccc21 ZINC000678274625 1130385649 /nfs/dbraw/zinc/38/56/49/1130385649.db2.gz QXFXIOCQMUHWOF-NSHDSACASA-N 0 1 279.767 3.697 20 0 CHADMN CC(C)OCCCN(C)Cc1cscc1Cl ZINC000678271862 1130385997 /nfs/dbraw/zinc/38/59/97/1130385997.db2.gz MCHOYXPNMKITIA-UHFFFAOYSA-N 0 1 261.818 3.648 20 0 CHADMN C[C@@H]1COCCCN1Cc1ccccc1OC1CCCC1 ZINC000678275527 1130387352 /nfs/dbraw/zinc/38/73/52/1130387352.db2.gz YGLDRKTVILMJGN-OAHLLOKOSA-N 0 1 289.419 3.619 20 0 CHADMN C[C@H]1Cc2ccccc2C[N@@H+]1Cc1n[nH]c2ccccc21 ZINC000678278893 1130387720 /nfs/dbraw/zinc/38/77/20/1130387720.db2.gz DIEAICGSXMDHIE-ZDUSSCGKSA-N 0 1 277.371 3.510 20 0 CHADMN C[C@H]1Cc2ccccc2C[N@H+]1Cc1n[nH]c2ccccc21 ZINC000678278893 1130387725 /nfs/dbraw/zinc/38/77/25/1130387725.db2.gz DIEAICGSXMDHIE-ZDUSSCGKSA-N 0 1 277.371 3.510 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1n[nH]c2ccccc21 ZINC000678278893 1130387731 /nfs/dbraw/zinc/38/77/31/1130387731.db2.gz DIEAICGSXMDHIE-ZDUSSCGKSA-N 0 1 277.371 3.510 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(N(C)C)nc2)[C@H](c2ccco2)C1 ZINC000678285822 1130392392 /nfs/dbraw/zinc/39/23/92/1130392392.db2.gz HXLYQBAOYUKXMA-ZBFHGGJFSA-N 0 1 299.418 3.714 20 0 CHADMN Cc1cc(C)c(CN2CCSC[C@H]2c2ccccc2)[nH]1 ZINC001137329968 1130392949 /nfs/dbraw/zinc/39/29/49/1130392949.db2.gz WUAIDIPKBLCDNE-KRWDZBQOSA-N 0 1 286.444 3.922 20 0 CHADMN Cc1cc(C)c(CN(C)C/C=C/c2ccccc2)[nH]1 ZINC001137331265 1130396365 /nfs/dbraw/zinc/39/63/65/1130396365.db2.gz XHXRCAPERQSUDH-JXMROGBWSA-N 0 1 254.377 3.777 20 0 CHADMN Oc1ccc2c(c1)CC[N@H+](Cc1c[nH]c3ccc(F)cc13)C2 ZINC001137335295 1130401257 /nfs/dbraw/zinc/40/12/57/1130401257.db2.gz MLPVLQDFFXERMP-UHFFFAOYSA-N 0 1 296.345 3.571 20 0 CHADMN Oc1ccc2c(c1)CCN(Cc1c[nH]c3ccc(F)cc13)C2 ZINC001137335295 1130401259 /nfs/dbraw/zinc/40/12/59/1130401259.db2.gz MLPVLQDFFXERMP-UHFFFAOYSA-N 0 1 296.345 3.571 20 0 CHADMN COc1cc(-c2ccc(CN(C)C)c(F)c2)cc(F)c1F ZINC001240662981 1130408742 /nfs/dbraw/zinc/40/87/42/1130408742.db2.gz AJBJXAFAWLEXJO-UHFFFAOYSA-N 0 1 295.304 3.841 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H](C)c1ccccc1F ZINC000678427815 1130416236 /nfs/dbraw/zinc/41/62/36/1130416236.db2.gz PFTSRSAXVOZUQR-OLZOCXBDSA-N 0 1 258.340 3.941 20 0 CHADMN Cc1nc([C@@H]2CCCCN2C[C@@H]2CCC[C@H](C)C2)no1 ZINC000678461802 1130419849 /nfs/dbraw/zinc/41/98/49/1130419849.db2.gz PNSHNUJIQSCYLM-CFVMTHIKSA-N 0 1 277.412 3.731 20 0 CHADMN O=S(=O)(Nc1ccc(C2CC2)cc1)c1ccccc1F ZINC000678479660 1130420619 /nfs/dbraw/zinc/42/06/19/1130420619.db2.gz ZETFEIRUYBMGLK-UHFFFAOYSA-N 0 1 291.347 3.504 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(CN(CC)CC)o1 ZINC000678486141 1130421738 /nfs/dbraw/zinc/42/17/38/1130421738.db2.gz JZOLIDAQOZXFGF-KGLIPLIRSA-N 0 1 292.423 3.525 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(C2CC2)cc1 ZINC000678573829 1130430933 /nfs/dbraw/zinc/43/09/33/1130430933.db2.gz ZLQFMAUSCWFUGV-UHFFFAOYSA-N 0 1 283.375 3.971 20 0 CHADMN C[C@H](Cc1cccs1)NCc1nnc(C(C)(C)C)s1 ZINC000678597140 1130435500 /nfs/dbraw/zinc/43/55/00/1130435500.db2.gz AQLRLKHFSKCLLZ-SNVBAGLBSA-N 0 1 295.477 3.618 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H]2CN(C)Cc3ccccc32)c(C)n1 ZINC000678605975 1130439233 /nfs/dbraw/zinc/43/92/33/1130439233.db2.gz BXLPCDPNAMINBD-DNVCBOLYSA-N 0 1 295.430 3.536 20 0 CHADMN Cc1cc(CN[C@@H]2CC[C@H](C)c3ccccc32)ncn1 ZINC000678604219 1130440024 /nfs/dbraw/zinc/44/00/24/1130440024.db2.gz ASVNGRHXVLPGIT-YVEFUNNKSA-N 0 1 267.376 3.513 20 0 CHADMN CC(C)Oc1ncccc1CN[C@@H](c1cccnc1)C(C)C ZINC000678685945 1130445838 /nfs/dbraw/zinc/44/58/38/1130445838.db2.gz SOGZWGRDHIMPSU-QGZVFWFLSA-N 0 1 299.418 3.751 20 0 CHADMN CCc1cc(CN[C@H]2c3ccccc3CC[C@@H]2C)on1 ZINC000678769538 1130451828 /nfs/dbraw/zinc/45/18/28/1130451828.db2.gz GTKYEBBAOFEBDP-YVEFUNNKSA-N 0 1 270.376 3.650 20 0 CHADMN CCc1cc(CN[C@@H]2c3ccccc3CC[C@H]2C)on1 ZINC000678769535 1130452086 /nfs/dbraw/zinc/45/20/86/1130452086.db2.gz GTKYEBBAOFEBDP-PXAZEXFGSA-N 0 1 270.376 3.650 20 0 CHADMN c1ccc2c(CN3CCC[C@H]4CCCC[C@@H]43)n[nH]c2c1 ZINC001137349952 1130453297 /nfs/dbraw/zinc/45/32/97/1130453297.db2.gz WUYIYEJDZDCYBC-DYVFJYSZSA-N 0 1 269.392 3.718 20 0 CHADMN C[C@@H](CCc1ccccc1)OC(=O)c1ccc2cncn2c1 ZINC000792553108 1130453425 /nfs/dbraw/zinc/45/34/25/1130453425.db2.gz OKRCJBNHSCZDAK-AWEZNQCLSA-N 0 1 294.354 3.512 20 0 CHADMN CC(C)CCN(Cc1nc2c(s1)CCC2)C1CC1 ZINC000678813888 1130457705 /nfs/dbraw/zinc/45/77/05/1130457705.db2.gz PGEQSGVCNDITSS-UHFFFAOYSA-N 0 1 264.438 3.642 20 0 CHADMN CCc1nn(C)cc1CN(CC)[C@H](C)c1ccc(F)cc1 ZINC000678817398 1130459601 /nfs/dbraw/zinc/45/96/01/1130459601.db2.gz BERRBFNDZKNHRY-CYBMUJFWSA-N 0 1 289.398 3.705 20 0 CHADMN CC1(C)CN(Cc2cccc3nccn32)[C@H]1c1ccccc1 ZINC000678818115 1130459755 /nfs/dbraw/zinc/45/97/55/1130459755.db2.gz COHRUNUQOPVFIA-SFHVURJKSA-N 0 1 291.398 3.917 20 0 CHADMN CC[C@@H]1C[C@H](N(CC(=O)c2ccccc2)C(C)C)CCO1 ZINC001170235229 1130464155 /nfs/dbraw/zinc/46/41/55/1130464155.db2.gz LCKZCHIAJBDGCW-IAGOWNOFSA-N 0 1 289.419 3.537 20 0 CHADMN CCCCc1nc(CN[C@@H](CC)C2CCCCC2)no1 ZINC000678894721 1130468486 /nfs/dbraw/zinc/46/84/86/1130468486.db2.gz GUBXWEWRDWKJKP-AWEZNQCLSA-N 0 1 279.428 3.861 20 0 CHADMN CC[C@@H](NCc1nc(C(C)(C)C)no1)C1CCCCC1 ZINC000678897483 1130469324 /nfs/dbraw/zinc/46/93/24/1130469324.db2.gz VBGXAEMLNLZKTC-CYBMUJFWSA-N 0 1 279.428 3.816 20 0 CHADMN CC(C)C(NCc1noc(-c2ccccc2)n1)C(C)C ZINC000678901977 1130469429 /nfs/dbraw/zinc/46/94/29/1130469429.db2.gz TXWAQCDCQMSWSJ-UHFFFAOYSA-N 0 1 273.380 3.507 20 0 CHADMN c1cc2ccc(-c3ccccc3CN3CCOCC3)cc2[nH]1 ZINC001240799037 1130478337 /nfs/dbraw/zinc/47/83/37/1130478337.db2.gz MPKGUDWUBJZASS-UHFFFAOYSA-N 0 1 292.382 3.667 20 0 CHADMN C[C@H]1CCCCC[N@H+]1Cc1nc2c(s1)CCCC2 ZINC000678990320 1130480257 /nfs/dbraw/zinc/48/02/57/1130480257.db2.gz IHROUEXLXOCSKH-LBPRGKRZSA-N 0 1 264.438 3.786 20 0 CHADMN Clc1cscc1CNc1cnccc1-n1cccn1 ZINC000678968944 1130480447 /nfs/dbraw/zinc/48/04/47/1130480447.db2.gz UBGZZVAMBIPKJM-UHFFFAOYSA-N 0 1 290.779 3.594 20 0 CHADMN C[C@H](Nc1ccnc2cc(F)ccc21)[C@H]1CCCCO1 ZINC000679004040 1130482962 /nfs/dbraw/zinc/48/29/62/1130482962.db2.gz FYISIAMPHKWQBA-MEDUHNTESA-N 0 1 274.339 3.743 20 0 CHADMN FC(F)(F)c1ccc(-c2cccc3[nH]nnc32)cc1 ZINC001240820876 1130485683 /nfs/dbraw/zinc/48/56/83/1130485683.db2.gz LXTMBOWCGYWRPD-UHFFFAOYSA-N 0 1 263.222 3.644 20 0 CHADMN C[C@@H](c1nc2ccccc2s1)[C@H](C)NCc1cocn1 ZINC000679050032 1130487383 /nfs/dbraw/zinc/48/73/83/1130487383.db2.gz VQAXKCPCFFHVCU-MNOVXSKESA-N 0 1 287.388 3.566 20 0 CHADMN Cc1ncc([C@@H](C)NC(C)(C)c2cccc(F)c2)c(C)n1 ZINC000679047016 1130487915 /nfs/dbraw/zinc/48/79/15/1130487915.db2.gz MVQRVZINQUDCQO-GFCCVEGCSA-N 0 1 287.382 3.818 20 0 CHADMN Cc1ccc(F)cc1-c1ccc(N2CCN(C)CC2)cc1 ZINC001240851997 1130493541 /nfs/dbraw/zinc/49/35/41/1130493541.db2.gz IFBPBRWQFCYDID-UHFFFAOYSA-N 0 1 284.378 3.553 20 0 CHADMN CN1CCN(c2ccc(-c3cccc(C4CC4)c3)cc2)CC1 ZINC001240851918 1130493588 /nfs/dbraw/zinc/49/35/88/1130493588.db2.gz DOXAQNGHGGULNV-UHFFFAOYSA-N 0 1 292.426 3.983 20 0 CHADMN Cc1nc([C@@H](C)Nc2cnn(-c3ccncc3)c2)c(C)s1 ZINC000679115528 1130494631 /nfs/dbraw/zinc/49/46/31/1130494631.db2.gz QMGQJMLUKUCYQG-SNVBAGLBSA-N 0 1 299.403 3.514 20 0 CHADMN Clc1ccc2oc(NCc3[nH]nc4ccccc43)nc2c1 ZINC000679117945 1130494795 /nfs/dbraw/zinc/49/47/95/1130494795.db2.gz UFWLNGHZNZFPAE-UHFFFAOYSA-N 0 1 298.733 3.970 20 0 CHADMN CC[C@@H](Nc1cnn(-c2ccncc2)c1)c1cccs1 ZINC000679125166 1130495396 /nfs/dbraw/zinc/49/53/96/1130495396.db2.gz DLNICHCVRKEFRS-CQSZACIVSA-N 0 1 284.388 3.892 20 0 CHADMN COc1ccc(-c2ccc(CN(C)C)c(F)c2)cc1C ZINC001240865825 1130497961 /nfs/dbraw/zinc/49/79/61/1130497961.db2.gz VNHLJAGPHVSKTB-UHFFFAOYSA-N 0 1 273.351 3.871 20 0 CHADMN CCCN(C)CC(=O)Nc1ccc(-c2ccccc2)c(C)c1 ZINC000792825595 1130501073 /nfs/dbraw/zinc/50/10/73/1130501073.db2.gz NXWCZRDGYAFEJO-UHFFFAOYSA-N 0 1 296.414 3.942 20 0 CHADMN Cc1cc(N2CC[C@@H](C)[C@@H](F)C2)c2cc(F)ccc2n1 ZINC000679190823 1130501514 /nfs/dbraw/zinc/50/15/14/1130501514.db2.gz MPZGZYYRWBWDPC-YGRLFVJLSA-N 0 1 276.330 3.867 20 0 CHADMN Clc1ccc(CN2C3CCCC2CCC3)nc1 ZINC000679213158 1130502774 /nfs/dbraw/zinc/50/27/74/1130502774.db2.gz BGPOFGXULAXYOK-UHFFFAOYSA-N 0 1 250.773 3.642 20 0 CHADMN C[C@H]1CCN(CCSc2ccc(F)cc2)C[C@@H]1F ZINC000679225764 1130504609 /nfs/dbraw/zinc/50/46/09/1130504609.db2.gz YEZCGBJJCSQFFK-FZMZJTMJSA-N 0 1 271.376 3.598 20 0 CHADMN CCc1cccc(F)c1CNCc1ccc([C@@H](C)O)cc1 ZINC000792932194 1130507519 /nfs/dbraw/zinc/50/75/19/1130507519.db2.gz NPZOFBZMCVSNMW-CYBMUJFWSA-N 0 1 287.378 3.731 20 0 CHADMN CC(C)[C@@H]1N(C[C@@H](O)c2cc(F)ccc2F)CC12CCC2 ZINC000793004606 1130511614 /nfs/dbraw/zinc/51/16/14/1130511614.db2.gz NNKPCQNVSKOAPI-CVEARBPZSA-N 0 1 295.373 3.509 20 0 CHADMN Cc1nc2ccc(-c3ccc(N(C)C)cc3)cc2[nH]1 ZINC001240914106 1130513891 /nfs/dbraw/zinc/51/38/91/1130513891.db2.gz WRTYRDWKYJXNPT-UHFFFAOYSA-N 0 1 251.333 3.604 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NCc1ccc(-c2ccccc2)o1 ZINC000679333551 1130516225 /nfs/dbraw/zinc/51/62/25/1130516225.db2.gz PFLYSIFDDAJPDX-LBPRGKRZSA-N 0 1 281.359 3.829 20 0 CHADMN Oc1cccc(-c2ccc3nc(C(F)(F)F)[nH]c3c2)c1 ZINC001240924954 1130520004 /nfs/dbraw/zinc/52/00/04/1130520004.db2.gz ZIQZSLFGNPDEIJ-UHFFFAOYSA-N 0 1 278.233 3.954 20 0 CHADMN Cc1nc([C@H](C)N[C@H]2CC(C)(C)OC2(C)C)c(C)s1 ZINC000679359170 1130520990 /nfs/dbraw/zinc/52/09/90/1130520990.db2.gz KZFJCEPJDMPDTK-CABZTGNLSA-N 0 1 282.453 3.757 20 0 CHADMN Cc1cccc(-c2n[nH]cc2CN2CC[C@@H](C)[C@H](F)C2)c1 ZINC000679357907 1130521014 /nfs/dbraw/zinc/52/10/14/1130521014.db2.gz GILHCMWHYSPMRI-CZUORRHYSA-N 0 1 287.382 3.565 20 0 CHADMN Cc1ccc(C(C)C)c(OC(=O)c2ccc3cncn3c2)c1 ZINC000793119239 1130521416 /nfs/dbraw/zinc/52/14/16/1130521416.db2.gz JDZHJEMDCXPCOK-UHFFFAOYSA-N 0 1 294.354 3.985 20 0 CHADMN COc1ccc(-c2ccc3nc[nH]c3c2C)c(OC)c1OC ZINC001240933166 1130521826 /nfs/dbraw/zinc/52/18/26/1130521826.db2.gz RJOVOJIRQVPSRM-UHFFFAOYSA-N 0 1 298.342 3.564 20 0 CHADMN CC1(C)CO[C@H](c2ccccc2)CN1Cc1ccc(O)cc1 ZINC000679393029 1130526215 /nfs/dbraw/zinc/52/62/15/1130526215.db2.gz SFXRLCXGTFYGOF-SFHVURJKSA-N 0 1 297.398 3.744 20 0 CHADMN Oc1ccc(CN2CCSC[C@@H]2c2ccccc2)cc1 ZINC000679396081 1130526952 /nfs/dbraw/zinc/52/69/52/1130526952.db2.gz OYPPWDPLJNERPC-QGZVFWFLSA-N 0 1 285.412 3.682 20 0 CHADMN FC(F)[C@@H](CCc1ccccc1)NCC1CCSCC1 ZINC000679394783 1130527987 /nfs/dbraw/zinc/52/79/87/1130527987.db2.gz QEGJOTHKLNZFHD-OAHLLOKOSA-N 0 1 299.430 3.986 20 0 CHADMN Fc1ccc2c(c1)CCN(Cc1nccc3ccccc31)C2 ZINC000679420909 1130528462 /nfs/dbraw/zinc/52/84/62/1130528462.db2.gz OEDHWOMWLDYATE-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN COCC1(C)CCN(Cc2cscc2Cl)CC1 ZINC000679422826 1130529112 /nfs/dbraw/zinc/52/91/12/1130529112.db2.gz WONLFVDQNUXJMX-UHFFFAOYSA-N 0 1 273.829 3.650 20 0 CHADMN C[C@@H]1C[C@@H](C)N1Cc1ccc(CSC(F)F)o1 ZINC000793229107 1130531187 /nfs/dbraw/zinc/53/11/87/1130531187.db2.gz UTISIVAPAQWMDT-RKDXNWHRSA-N 0 1 261.337 3.718 20 0 CHADMN Cc1cc(Cl)cc(C)c1CNCc1cccnc1F ZINC000793285472 1130537538 /nfs/dbraw/zinc/53/75/38/1130537538.db2.gz OXOMFEQFHPUOKB-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN Cc1ncc(CN2C[C@@H](C(F)(F)F)CC[C@H]2C)s1 ZINC000679539863 1130537547 /nfs/dbraw/zinc/53/75/47/1130537547.db2.gz CKJDJGORBARTIG-SCZZXKLOSA-N 0 1 278.343 3.614 20 0 CHADMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccsc1 ZINC000679583389 1130543295 /nfs/dbraw/zinc/54/32/95/1130543295.db2.gz FPRNKHKMBVLVKM-MWLCHTKSSA-N 0 1 263.328 3.911 20 0 CHADMN CCc1ncc(CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)s1 ZINC000679584140 1130543765 /nfs/dbraw/zinc/54/37/65/1130543765.db2.gz LQEMPVKVURUWOI-UWVGGRQHSA-N 0 1 292.370 3.868 20 0 CHADMN Cc1ccc(CN2C[C@H](C(F)(F)F)CC[C@@H]2C)o1 ZINC000679583751 1130543748 /nfs/dbraw/zinc/54/37/48/1130543748.db2.gz HKEZGAIVKMYCGR-GXSJLCMTSA-N 0 1 261.287 3.751 20 0 CHADMN CCCCCNC(=O)CN(CCC)Cc1ccc(C)cc1 ZINC000679635150 1130548790 /nfs/dbraw/zinc/54/87/90/1130548790.db2.gz FCPUSTKZTRGZLY-UHFFFAOYSA-N 0 1 290.451 3.513 20 0 CHADMN CC(C)Oc1cccc(CN2CCC[C@H](OC(F)F)C2)c1 ZINC000679679509 1130551102 /nfs/dbraw/zinc/55/11/02/1130551102.db2.gz STGCROQEQFSVDH-HNNXBMFYSA-N 0 1 299.361 3.677 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccccc2)c(N2CCCC2)n1 ZINC000679724022 1130553467 /nfs/dbraw/zinc/55/34/67/1130553467.db2.gz PRLANMYIYPQHIX-MRXNPFEDSA-N 0 1 295.430 3.841 20 0 CHADMN CCCOc1cccc(CN2CCC[C@@H](OC(F)F)C2)c1 ZINC000679740824 1130554052 /nfs/dbraw/zinc/55/40/52/1130554052.db2.gz RMVCUNOAESQEJM-OAHLLOKOSA-N 0 1 299.361 3.679 20 0 CHADMN C[C@H](NCc1ccc2cccnc2c1)c1cncc(F)c1 ZINC000679750738 1130554724 /nfs/dbraw/zinc/55/47/24/1130554724.db2.gz KSKTXAGQCYLPLI-LBPRGKRZSA-N 0 1 281.334 3.620 20 0 CHADMN Oc1ccccc1-c1nccc(-c2ccc(F)cc2)n1 ZINC001241003961 1130560074 /nfs/dbraw/zinc/56/00/74/1130560074.db2.gz ZNZNOUBCYWFHOL-UHFFFAOYSA-N 0 1 266.275 3.655 20 0 CHADMN Cc1cc([C@H](C)NCc2cccc(C(F)(F)F)c2)n(C)n1 ZINC000793520663 1130561988 /nfs/dbraw/zinc/56/19/88/1130561988.db2.gz VBZKFFHPJBYQSN-NSHDSACASA-N 0 1 297.324 3.598 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2cc(C)sc2C)n(C)n1 ZINC000793523540 1130562085 /nfs/dbraw/zinc/56/20/85/1130562085.db2.gz IWWYRMMVSSPVRD-NEPJUHHUSA-N 0 1 277.437 3.819 20 0 CHADMN CO[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000679951340 1130563813 /nfs/dbraw/zinc/56/38/13/1130563813.db2.gz DXONKOWYSFMHSW-ZDUSSCGKSA-N 0 1 288.218 3.994 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2cc3ccccc3o2)n(C)n1 ZINC000793555093 1130570061 /nfs/dbraw/zinc/57/00/61/1130570061.db2.gz AGCVOSHBDOZWJX-CHWSQXEVSA-N 0 1 283.375 3.887 20 0 CHADMN CO[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000680004172 1130571449 /nfs/dbraw/zinc/57/14/49/1130571449.db2.gz ZTEZTUCKEHCLNV-CQSZACIVSA-N 0 1 288.218 3.994 20 0 CHADMN Cc1cc(-c2nccc3[nH]ccc32)cnc1OC(C)C ZINC001244683748 1130593438 /nfs/dbraw/zinc/59/34/38/1130593438.db2.gz NALLBMMVUUTYLC-UHFFFAOYSA-N 0 1 267.332 3.721 20 0 CHADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cn1cc(C)cnc1=S ZINC000758338954 1130606258 /nfs/dbraw/zinc/60/62/58/1130606258.db2.gz GVUAIOUSTFDFQG-KBPBESRZSA-N 0 1 279.453 3.779 20 0 CHADMN CCN(Cc1c(Cl)nccc1N(C)C)C1CCCCC1 ZINC001234094549 1130608482 /nfs/dbraw/zinc/60/84/82/1130608482.db2.gz DUQZPZVLQPSIHM-UHFFFAOYSA-N 0 1 295.858 3.956 20 0 CHADMN CC(C)[C@@H]1CCN(Cc2ccnc(Cl)c2Cl)C1 ZINC000811467171 1130611555 /nfs/dbraw/zinc/61/15/55/1130611555.db2.gz HAAFHELWGQHGHF-SNVBAGLBSA-N 0 1 273.207 3.866 20 0 CHADMN CC(C)CCOCCNCc1ccnc(Cl)c1Cl ZINC000811476585 1130613849 /nfs/dbraw/zinc/61/38/49/1130613849.db2.gz NGINBAIICFFZEM-UHFFFAOYSA-N 0 1 291.222 3.541 20 0 CHADMN CSc1c(Cl)cccc1O[C@H]1CN2CCC1CC2 ZINC001234247562 1130624030 /nfs/dbraw/zinc/62/40/30/1130624030.db2.gz QIGXSFODUKBIBO-ZDUSSCGKSA-N 0 1 283.824 3.535 20 0 CHADMN c1cc(CN2CC3(CC(OCc4ccccc4)C3)C2)cs1 ZINC001204043176 1130627973 /nfs/dbraw/zinc/62/79/73/1130627973.db2.gz YFFQUHJNLSVNAX-UHFFFAOYSA-N 0 1 299.439 3.929 20 0 CHADMN Cc1ccc(CN(C)C[C@H](O)c2ccc(Cl)c(F)c2)o1 ZINC000759042872 1130634089 /nfs/dbraw/zinc/63/40/89/1130634089.db2.gz AFWYSLYEAAQSOO-HNNXBMFYSA-N 0 1 297.757 3.546 20 0 CHADMN CC(C)=CCC[C@H](C)CC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC001277850782 1130640061 /nfs/dbraw/zinc/64/00/61/1130640061.db2.gz YEZIYRVLEXWKTI-VVLHAWIVSA-N 0 1 294.483 3.699 20 0 CHADMN Cc1ccc(C(C)(C)NCc2cnc(Cl)c(C)c2)cn1 ZINC000759186526 1130642014 /nfs/dbraw/zinc/64/20/14/1130642014.db2.gz LZMOLPNUNYDRFV-UHFFFAOYSA-N 0 1 289.810 3.772 20 0 CHADMN Cc1cc(C(F)(F)F)nn1CN1C[C@@H](C)CCC[C@@H]1C ZINC000811753820 1130643163 /nfs/dbraw/zinc/64/31/63/1130643163.db2.gz YKZHRRTYSBTNGM-QWRGUYRKSA-N 0 1 289.345 3.678 20 0 CHADMN Cc1cc(C(F)(F)F)nn1CN1CC[C@H](C(C)(C)C)C1 ZINC000811763849 1130644522 /nfs/dbraw/zinc/64/45/22/1130644522.db2.gz KEIUDDVRZRZQKL-NSHDSACASA-N 0 1 289.345 3.536 20 0 CHADMN C[C@@H]1CC[C@H](CC(=O)Nc2ccc(CN(C)C)c(F)c2)C1 ZINC000759238661 1130645913 /nfs/dbraw/zinc/64/59/13/1130645913.db2.gz JAUNJFHKAMAAEG-OLZOCXBDSA-N 0 1 292.398 3.652 20 0 CHADMN C[C@H](NCc1cccc(F)n1)c1ccc(Cl)cc1 ZINC000747744434 1130648325 /nfs/dbraw/zinc/64/83/25/1130648325.db2.gz NOTGKFIYGQTHTP-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN Fc1cccc(CN[C@H]2CCCCc3ccccc32)n1 ZINC000747744698 1130650058 /nfs/dbraw/zinc/65/00/58/1130650058.db2.gz QRMIIPMFKYEDAJ-INIZCTEOSA-N 0 1 270.351 3.778 20 0 CHADMN CCOC(=[NH2+])c1ccc(O[C@@H](C)C2=CC=C[CH]2)cc1 ZINC001234588877 1130659826 /nfs/dbraw/zinc/65/98/26/1130659826.db2.gz RYTFQEVPSPRIAF-LBPRGKRZSA-N 0 1 256.325 3.516 20 0 CHADMN COc1cccc([C@H]2CCCCN2Cc2[nH]c(C)nc2C)c1 ZINC001234635823 1130664914 /nfs/dbraw/zinc/66/49/14/1130664914.db2.gz RTWBITLOXMTZEP-GOSISDBHSA-N 0 1 299.418 3.762 20 0 CHADMN CSc1cc(C)c(-c2cccc(CN(C)C)c2F)cn1 ZINC001244868850 1130668868 /nfs/dbraw/zinc/66/88/68/1130668868.db2.gz ZSAYWGQWKAJKED-UHFFFAOYSA-N 0 1 290.407 3.980 20 0 CHADMN CCOc1ccc(C)c(-c2ccc(CN(C)C)cn2)c1 ZINC001244870800 1130669781 /nfs/dbraw/zinc/66/97/81/1130669781.db2.gz PYATWTVGDUEQRZ-UHFFFAOYSA-N 0 1 270.376 3.517 20 0 CHADMN C/C=C(/C=C/C(=O)Nc1cccc(Cl)c1O)CC ZINC000759714097 1130671378 /nfs/dbraw/zinc/67/13/78/1130671378.db2.gz UHVWFUKLLCIOSZ-UTDLVPNFSA-N 0 1 265.740 3.897 20 0 CHADMN CC(C)=C(C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000759743881 1130672901 /nfs/dbraw/zinc/67/29/01/1130672901.db2.gz GRXIPCIEIDIMOI-UHFFFAOYSA-N 0 1 279.290 3.795 20 0 CHADMN Cc1cccc([C@@H](C)NCc2cccc(Cl)n2)c1 ZINC000812309164 1130682726 /nfs/dbraw/zinc/68/27/26/1130682726.db2.gz YSTYMWSETAFGHU-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN CCOC(OCC)c1ccc(CN2C[C@@H](C)[C@@H](F)C2)cc1 ZINC001234861256 1130685204 /nfs/dbraw/zinc/68/52/04/1130685204.db2.gz WQILFWJCGJGQOT-CJNGLKHVSA-N 0 1 295.398 3.548 20 0 CHADMN CN(C)Cc1ccc(NC(=O)C2(C)CCCCC2)cc1F ZINC000780852671 1130694253 /nfs/dbraw/zinc/69/42/53/1130694253.db2.gz ZHONCGQYGCJUGE-UHFFFAOYSA-N 0 1 292.398 3.796 20 0 CHADMN CCCCC[C@](C)(CC)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000780926970 1130696286 /nfs/dbraw/zinc/69/62/86/1130696286.db2.gz UPYHZNYFKALFCU-PBHICJAKSA-N 0 1 291.439 3.900 20 0 CHADMN CC(C)(C)N1CC(Oc2cccc3ccc(F)cc32)C1 ZINC001234964451 1130698947 /nfs/dbraw/zinc/69/89/47/1130698947.db2.gz ZNYPSYVOJYHNSY-UHFFFAOYSA-N 0 1 273.351 3.840 20 0 CHADMN Cc1coc(C)c1C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001133406573 1130709049 /nfs/dbraw/zinc/70/90/49/1130709049.db2.gz WDHIAEIDTIIEAJ-UHFFFAOYSA-N 0 1 289.722 3.678 20 0 CHADMN c1ccc(N2CC[C@H](Nc3cc4c(cn3)CCCC4)C2)cc1 ZINC000812739426 1130710308 /nfs/dbraw/zinc/71/03/08/1130710308.db2.gz QYPDVEPFZALQAL-KRWDZBQOSA-N 0 1 293.414 3.651 20 0 CHADMN FC(F)SCc1ccc(CN2CC(C3CC3)C2)o1 ZINC000812775417 1130713223 /nfs/dbraw/zinc/71/32/23/1130713223.db2.gz MEJJGOREGUVTLK-UHFFFAOYSA-N 0 1 273.348 3.577 20 0 CHADMN FC(F)(F)c1cncc(CN2CCC3(CCCC3)C2)c1 ZINC000812827029 1130717124 /nfs/dbraw/zinc/71/71/24/1130717124.db2.gz ANVXWLGSMKBAMP-UHFFFAOYSA-N 0 1 284.325 3.867 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@@H](C)[C@@H]2C)c(F)c1 ZINC001235200381 1130723413 /nfs/dbraw/zinc/72/34/13/1130723413.db2.gz FFYMLPVXCIZKIX-NEPJUHHUSA-N 0 1 253.336 3.894 20 0 CHADMN C[C@@H]1CCN([C@H]2CCc3cc(F)cc(F)c3C2)C[C@H]1F ZINC001170689824 1130724251 /nfs/dbraw/zinc/72/42/51/1130724251.db2.gz NUAAYCGZAISNQO-AKWBHNSASA-N 0 1 283.337 3.502 20 0 CHADMN CCCN(C)Cc1nc(Cl)ccc1C(F)(F)F ZINC001235229957 1130725048 /nfs/dbraw/zinc/72/50/48/1130725048.db2.gz TVLBAZZXXHTRMO-UHFFFAOYSA-N 0 1 266.694 3.596 20 0 CHADMN CC1(F)CCN(Cc2cc3cccc(F)c3[nH]2)CC1 ZINC001235234933 1130726523 /nfs/dbraw/zinc/72/65/23/1130726523.db2.gz QQDBQIHVMHICDT-UHFFFAOYSA-N 0 1 264.319 3.631 20 0 CHADMN CCc1cccc(CN2CCc3ccccc3[C@H]2C)n1 ZINC001235251458 1130728063 /nfs/dbraw/zinc/72/80/63/1130728063.db2.gz UGOUWQWIUCKLHQ-CQSZACIVSA-N 0 1 266.388 3.763 20 0 CHADMN CCc1cccc(CN(C)Cc2ccc(C)cc2)n1 ZINC001235252459 1130728145 /nfs/dbraw/zinc/72/81/45/1130728145.db2.gz BMMSAEJYXSWEPK-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN COc1c(C)cc(CN[C@@H](C)c2cncc(F)c2)cc1C ZINC000781640209 1130732599 /nfs/dbraw/zinc/73/25/99/1130732599.db2.gz WNUGKFIOHUNPQM-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN Cc1cnc(F)c(CN(C)CCCc2ccccc2)c1 ZINC001235333746 1130734654 /nfs/dbraw/zinc/73/46/54/1130734654.db2.gz HSKNTHUCCTWFNM-UHFFFAOYSA-N 0 1 272.367 3.594 20 0 CHADMN COc1cc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)cc(F)c1F ZINC001235435118 1130743629 /nfs/dbraw/zinc/74/36/29/1130743629.db2.gz UFYBKXNHNSISRD-STQMWFEESA-N 0 1 281.346 3.595 20 0 CHADMN COc1cc(CN2CC[C@@H]3CCC[C@H]3C2)cc(F)c1F ZINC001235435118 1130743630 /nfs/dbraw/zinc/74/36/30/1130743630.db2.gz UFYBKXNHNSISRD-STQMWFEESA-N 0 1 281.346 3.595 20 0 CHADMN CCOc1cc(CN2CCC[C@H]2C)ccc1Br ZINC001235444261 1130745722 /nfs/dbraw/zinc/74/57/22/1130745722.db2.gz KILUZZGSFVKDOR-LLVKDONJSA-N 0 1 298.224 3.832 20 0 CHADMN COc1cc(CN2CC[C@H](C)C[C@H]2C)cc(F)c1F ZINC001235451919 1130745995 /nfs/dbraw/zinc/74/59/95/1130745995.db2.gz UHNLOXKXSFZWJL-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN CCC(CC)N(CC)Cc1cncc(F)c1Cl ZINC001235496937 1130748765 /nfs/dbraw/zinc/74/87/65/1130748765.db2.gz BRFUFWCMHQOVEP-UHFFFAOYSA-N 0 1 258.768 3.885 20 0 CHADMN C[C@@H]1CC[C@@]2(CCN(Cc3cccnc3Cl)C2)C1 ZINC000781928590 1130749064 /nfs/dbraw/zinc/74/90/64/1130749064.db2.gz NGDUERYRFCTOON-IUODEOHRSA-N 0 1 264.800 3.747 20 0 CHADMN COc1cncc(CN(C)Cc2ccc(C)c(C)c2)c1C ZINC001235473358 1130749505 /nfs/dbraw/zinc/74/95/05/1130749505.db2.gz IFJGJXTWMWXVQO-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN Cc1cc(Cl)cc(CN2CC[C@@H]3CCCO[C@H]3C2)c1 ZINC001235535017 1130753690 /nfs/dbraw/zinc/75/36/90/1130753690.db2.gz OPHPDATZUIKOSD-HOCLYGCPSA-N 0 1 279.811 3.649 20 0 CHADMN C[C@H]1CCCCN1Cc1cccn1C(=O)OC(C)(C)C ZINC001235622415 1130758582 /nfs/dbraw/zinc/75/85/82/1130758582.db2.gz ASGDKIKZSCZVJA-ZDUSSCGKSA-N 0 1 278.396 3.646 20 0 CHADMN Cc1cncc(Br)c1CN(C)C[C@@H]1CC1(C)C ZINC001235642550 1130760265 /nfs/dbraw/zinc/76/02/65/1130760265.db2.gz OCODOBXASYAXTE-NSHDSACASA-N 0 1 297.240 3.630 20 0 CHADMN CC(C)(C)OC(=O)n1cccc1CN1CC2CCC1CC2 ZINC001235632882 1130760601 /nfs/dbraw/zinc/76/06/01/1130760601.db2.gz UKWJPCAJUMVZOT-UHFFFAOYSA-N 0 1 290.407 3.646 20 0 CHADMN CC[C@@H]1CCN(Cc2cccn2C(=O)OC(C)(C)C)C1 ZINC001235637433 1130761270 /nfs/dbraw/zinc/76/12/70/1130761270.db2.gz RYXKYONCYUBDBW-CYBMUJFWSA-N 0 1 278.396 3.503 20 0 CHADMN Fc1ccc2[nH]c(CN3CCCC4(CCCC4)C3)nc2c1 ZINC001235685058 1130767246 /nfs/dbraw/zinc/76/72/46/1130767246.db2.gz XTFUYXPDBWONIY-UHFFFAOYSA-N 0 1 287.382 3.858 20 0 CHADMN COc1ccc(F)c(CN2CC[C@H](C)C(F)(F)CC2)c1 ZINC001137991336 1130769649 /nfs/dbraw/zinc/76/96/49/1130769649.db2.gz GBALERQRVWOTRC-NSHDSACASA-N 0 1 287.325 3.702 20 0 CHADMN CCN(Cc1cc(Br)cc(C)c1F)C1CC1 ZINC001235719181 1130774365 /nfs/dbraw/zinc/77/43/65/1130774365.db2.gz JVDIAVBMOMOGLP-UHFFFAOYSA-N 0 1 286.188 3.881 20 0 CHADMN CCOc1cc(CN(C)Cc2cccc(O)c2)ccc1F ZINC001235794607 1130780576 /nfs/dbraw/zinc/78/05/76/1130780576.db2.gz NMFLNCJMWSCTIZ-UHFFFAOYSA-N 0 1 289.350 3.562 20 0 CHADMN Clc1cc(CN2CC=CCC2)c2ccccc2n1 ZINC000782531919 1130782117 /nfs/dbraw/zinc/78/21/17/1130782117.db2.gz UYFMWAOWRNRAAW-UHFFFAOYSA-N 0 1 258.752 3.650 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1ccnc(OC)c1Cl ZINC001235841224 1130786684 /nfs/dbraw/zinc/78/66/84/1130786684.db2.gz CEPBGSRFUJFIHM-CYBMUJFWSA-N 0 1 282.815 3.898 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1ccnc(Cl)c1 ZINC000783014064 1130793751 /nfs/dbraw/zinc/79/37/51/1130793751.db2.gz SPNGJWULGXKZBM-LLVKDONJSA-N 0 1 275.783 3.543 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cccc(Cl)n1 ZINC000783009972 1130794541 /nfs/dbraw/zinc/79/45/41/1130794541.db2.gz ATMNLZQPKHZDMO-LLVKDONJSA-N 0 1 275.783 3.543 20 0 CHADMN CCC/C=C/COC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000813908264 1130796887 /nfs/dbraw/zinc/79/68/87/1130796887.db2.gz ZBJRVGGMXNRQCR-WEVVVXLNSA-N 0 1 284.359 3.898 20 0 CHADMN CC/C=C\CCCCCCN1CC[C@@H](N)C(F)(F)C1 ZINC001235911329 1130804748 /nfs/dbraw/zinc/80/47/48/1130804748.db2.gz GTXVBPSECVOFMM-VQTKUKTRSA-N 0 1 274.399 3.571 20 0 CHADMN COC[C@H](Nc1ccc(CN(C)C)c(F)c1)C1CCCC1 ZINC000783286614 1130811511 /nfs/dbraw/zinc/81/15/11/1130811511.db2.gz MKWNCXKGBUWFDF-KRWDZBQOSA-N 0 1 294.414 3.504 20 0 CHADMN Fc1ccc([C@H](NC[C@H]2CCC=CO2)c2ccccc2)nc1 ZINC000783311713 1130815349 /nfs/dbraw/zinc/81/53/49/1130815349.db2.gz WZWCXSRGRWNREQ-SJLPKXTDSA-N 0 1 298.361 3.592 20 0 CHADMN Cc1csc2nc(-c3c(F)cc(F)c(O)c3F)ncc12 ZINC001235983442 1130822867 /nfs/dbraw/zinc/82/28/67/1130822867.db2.gz AHOAGDHYBYMXIJ-UHFFFAOYSA-N 0 1 296.273 3.790 20 0 CHADMN Cc1cc(-c2c(F)cc(F)c(O)c2F)nc2cc[nH]c21 ZINC001235986211 1130823663 /nfs/dbraw/zinc/82/36/63/1130823663.db2.gz TWBCOAYWSSTHOX-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc3c(c2)CCOC3)c1F ZINC001235992993 1130825255 /nfs/dbraw/zinc/82/52/55/1130825255.db2.gz AEWYGGHZTQHLMI-UHFFFAOYSA-N 0 1 280.245 3.549 20 0 CHADMN Cc1nc2[nH]ccc2cc1-c1c(F)cc(F)c(O)c1F ZINC001235997045 1130826667 /nfs/dbraw/zinc/82/66/67/1130826667.db2.gz OBNAFIFJCIUCMU-UHFFFAOYSA-N 0 1 278.233 3.613 20 0 CHADMN COCc1ccc(-c2c(F)cc(F)c(O)c2F)c(C)c1 ZINC001235999437 1130826766 /nfs/dbraw/zinc/82/67/66/1130826766.db2.gz FOCILKDXGCFMMP-UHFFFAOYSA-N 0 1 282.261 3.931 20 0 CHADMN Oc1c(F)cc(F)c(-c2cccc(C3OCCO3)c2)c1F ZINC001235996838 1130827091 /nfs/dbraw/zinc/82/70/91/1130827091.db2.gz ZCTRGRHXSXRLLC-UHFFFAOYSA-N 0 1 296.244 3.522 20 0 CHADMN CCOC(=N)c1ccc(-c2c(F)cc(F)c(O)c2F)cc1 ZINC001236001592 1130828459 /nfs/dbraw/zinc/82/84/59/1130828459.db2.gz BCTFMLJLLVKVBW-UHFFFAOYSA-N 0 1 295.260 3.838 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc3[nH]c(=S)[nH]c3c2)c1F ZINC001236002017 1130830367 /nfs/dbraw/zinc/83/03/67/1130830367.db2.gz HYDMGBAJEUHPML-UHFFFAOYSA-N 0 1 296.273 3.642 20 0 CHADMN Oc1c(F)cc(F)c(-c2cccc3cnoc32)c1F ZINC001236000861 1130830729 /nfs/dbraw/zinc/83/07/29/1130830729.db2.gz YIMDKETUCYAPIB-UHFFFAOYSA-N 0 1 265.190 3.618 20 0 CHADMN c1nc2cc[nH]c(-c3ccc(-c4ccncc4)cc3)c-2n1 ZINC001236035047 1130833728 /nfs/dbraw/zinc/83/37/28/1130833728.db2.gz QZCQGDYPKDRCOY-UHFFFAOYSA-N 0 1 272.311 3.687 20 0 CHADMN c1nc2c(ccnc2-c2ccc(-c3ccncc3)cc2)[nH]1 ZINC001236035047 1130833732 /nfs/dbraw/zinc/83/37/32/1130833732.db2.gz QZCQGDYPKDRCOY-UHFFFAOYSA-N 0 1 272.311 3.687 20 0 CHADMN Cc1cc(CN2Cc3ccccc3OC[C@@H]2C)c(C)o1 ZINC000783597514 1130841997 /nfs/dbraw/zinc/84/19/97/1130841997.db2.gz NDLDHXOGTGOLEE-LBPRGKRZSA-N 0 1 271.360 3.680 20 0 CHADMN CN1CCN(c2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC001236092424 1130857499 /nfs/dbraw/zinc/85/74/99/1130857499.db2.gz XLWZGYYJUIDDCD-UHFFFAOYSA-N 0 1 286.806 3.759 20 0 CHADMN CC(C)Oc1ncccc1-c1ccc(CN(C)C)c(F)c1 ZINC001236108129 1130866765 /nfs/dbraw/zinc/86/67/65/1130866765.db2.gz BYRGZMQEUUHQKS-UHFFFAOYSA-N 0 1 288.366 3.737 20 0 CHADMN CN[C@@H]1CCN1Cc1ccc2sc3ccccc3c2c1 ZINC001236167036 1130877850 /nfs/dbraw/zinc/87/78/50/1130877850.db2.gz LMYFJSJTVCIKGD-KRWDZBQOSA-N 0 1 282.412 3.806 20 0 CHADMN CN[C@@H]1CCN1Cc1cccc(-c2c(C)cccc2C)c1 ZINC001236167373 1130878427 /nfs/dbraw/zinc/87/84/27/1130878427.db2.gz NXZQOMAYODLGAO-SFHVURJKSA-N 0 1 280.415 3.722 20 0 CHADMN Cc1cc(F)ccc1CN1CC[C@H](C(F)(F)F)C1 ZINC000784222409 1130892329 /nfs/dbraw/zinc/89/23/29/1130892329.db2.gz KCTKAYGOWCARCJ-NSHDSACASA-N 0 1 261.262 3.518 20 0 CHADMN COc1cc(C)cc(F)c1-c1cc2nc[nH]c2cc1C ZINC001236224005 1130896118 /nfs/dbraw/zinc/89/61/18/1130896118.db2.gz VMGCJNRPMFOLMO-UHFFFAOYSA-N 0 1 270.307 3.994 20 0 CHADMN CCCOc1ccccc1CN1CCc2ccc(N)cc2C1 ZINC001236231218 1130898426 /nfs/dbraw/zinc/89/84/26/1130898426.db2.gz GQPBOKVNUPKYCN-UHFFFAOYSA-N 0 1 296.414 3.616 20 0 CHADMN CSc1ccc(CN2CCc3ccc(N)cc3C2)cc1 ZINC001236232662 1130900599 /nfs/dbraw/zinc/90/05/99/1130900599.db2.gz NVDGYJCZLQNXAE-UHFFFAOYSA-N 0 1 284.428 3.549 20 0 CHADMN CN(C)Cc1cccc(C2=CC[C@@H](C(F)(F)F)CC2)n1 ZINC001236250463 1130906410 /nfs/dbraw/zinc/90/64/10/1130906410.db2.gz WXPDEHYYEASUEX-GFCCVEGCSA-N 0 1 284.325 3.889 20 0 CHADMN Cc1cc(CN2CCc3c(N)cccc3C2)cc(C)c1F ZINC001236363458 1130919081 /nfs/dbraw/zinc/91/90/81/1130919081.db2.gz LXFIFYDEBFAPOB-UHFFFAOYSA-N 0 1 284.378 3.583 20 0 CHADMN Cc1ccc(F)c(-c2ccc(F)c(CN(C)C)c2)c1O ZINC001236415529 1130933841 /nfs/dbraw/zinc/93/38/41/1130933841.db2.gz QALZBVUJWDDBHO-UHFFFAOYSA-N 0 1 277.314 3.707 20 0 CHADMN CC[C@@H](NCc1cccc(F)n1)c1cccc(C)c1 ZINC000796837614 1130938196 /nfs/dbraw/zinc/93/81/96/1130938196.db2.gz OYFQGVJIZCKWGD-OAHLLOKOSA-N 0 1 258.340 3.770 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2ccnc(Br)c2)C1 ZINC000815091864 1130955382 /nfs/dbraw/zinc/95/53/82/1130955382.db2.gz SUIXMDIULGZDFZ-LBPRGKRZSA-N 0 1 297.240 3.712 20 0 CHADMN CC(C)Oc1ccc(F)cc1N[C@@H]1CCCc2[nH]ncc21 ZINC000796915450 1130945454 /nfs/dbraw/zinc/94/54/54/1130945454.db2.gz BHXYFEJSNALMSG-CYBMUJFWSA-N 0 1 289.354 3.826 20 0 CHADMN Cc1nc2cncc(-c3ccc(NC(C)C)cc3)c2[nH]1 ZINC001236489493 1130955467 /nfs/dbraw/zinc/95/54/67/1130955467.db2.gz SVBULSTZGZHUCW-UHFFFAOYSA-N 0 1 266.348 3.754 20 0 CHADMN Cc1ccc(-c2cc3nc[nH]c3c(C)c2)c2c[nH]nc21 ZINC001236492923 1130956346 /nfs/dbraw/zinc/95/63/46/1130956346.db2.gz OQGCAFRRXUZHRS-UHFFFAOYSA-N 0 1 262.316 3.723 20 0 CHADMN C[C@H](NCC1(C(F)(F)F)CC1)c1cccnc1Cl ZINC000797072598 1130958465 /nfs/dbraw/zinc/95/84/65/1130958465.db2.gz ZVIXSBJDXHVTEY-QMMMGPOBSA-N 0 1 278.705 3.728 20 0 CHADMN CC1(C)CCC(=Nc2cc([C@@H]3CCCCN3)no2)CC1 ZINC001159313224 1130970527 /nfs/dbraw/zinc/97/05/27/1130970527.db2.gz KBFJDLORCRTFSY-ZDUSSCGKSA-N 0 1 275.396 3.995 20 0 CHADMN Cc1cc(Cl)nc(Cl)c1CN1C[C@H]2CCC[C@@H]2C1 ZINC001236600473 1130982544 /nfs/dbraw/zinc/98/25/44/1130982544.db2.gz XKUDJRVFFCDWRA-GHMZBOCLSA-N 0 1 285.218 3.929 20 0 CHADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(F)cc2c1OCCC2 ZINC001236624802 1130985338 /nfs/dbraw/zinc/98/53/38/1130985338.db2.gz XMHPBVNHBFWWKB-QWHCGFSZSA-N 0 1 277.383 3.771 20 0 CHADMN Cc1cc(Cl)cc(CN2CCC23CCCC3)n1 ZINC001236638493 1130987395 /nfs/dbraw/zinc/98/73/95/1130987395.db2.gz FJIOKAFTCFXJBL-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN c1cc2c(cccc2CN2CCc3cccnc3C2)s1 ZINC001236691106 1130994683 /nfs/dbraw/zinc/99/46/83/1130994683.db2.gz YDJYIOYPOWVFFS-UHFFFAOYSA-N 0 1 280.396 3.855 20 0 CHADMN CCOc1ncc(CN(C)Cc2ccc(C)cc2)cc1F ZINC001236692388 1130995560 /nfs/dbraw/zinc/99/55/60/1130995560.db2.gz GOJXWRJSBXCQPR-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1ccc(F)c(O)c1 ZINC001236709589 1130996125 /nfs/dbraw/zinc/99/61/25/1130996125.db2.gz FQEOGVPKLKLUCV-UHFFFAOYSA-N 0 1 289.350 3.562 20 0 CHADMN Cc1cc(CN2CCS[C@@H]3CCCC[C@H]32)cc(Cl)n1 ZINC000797592363 1130996765 /nfs/dbraw/zinc/99/67/65/1130996765.db2.gz VUZIFGKDWYDVLO-ZIAGYGMSSA-N 0 1 296.867 3.903 20 0 CHADMN C[N@@H+](Cc1ccc(Br)c([O-])c1)C[C@@H]1CC1(C)C ZINC001236698168 1130996849 /nfs/dbraw/zinc/99/68/49/1130996849.db2.gz IOVTWLQIESFIRV-NSHDSACASA-N 0 1 298.224 3.633 20 0 CHADMN C[N@H+](Cc1ccc(Br)c([O-])c1)C[C@@H]1CC1(C)C ZINC001236698168 1130996850 /nfs/dbraw/zinc/99/68/50/1130996850.db2.gz IOVTWLQIESFIRV-NSHDSACASA-N 0 1 298.224 3.633 20 0 CHADMN CCCCC[N@H+](C)Cc1ccc(Br)c([O-])c1 ZINC001236692533 1130996870 /nfs/dbraw/zinc/99/68/70/1130996870.db2.gz RUPLAKCODVMJRN-UHFFFAOYSA-N 0 1 286.213 3.777 20 0 CHADMN CCCCC[N@@H+](C)Cc1ccc(Br)c([O-])c1 ZINC001236692533 1130996871 /nfs/dbraw/zinc/99/68/71/1130996871.db2.gz RUPLAKCODVMJRN-UHFFFAOYSA-N 0 1 286.213 3.777 20 0 CHADMN Cc1c(F)ccc(CN(C)CCc2ccncc2)c1Cl ZINC001236712824 1130997068 /nfs/dbraw/zinc/99/70/68/1130997068.db2.gz YOBMLCWLPBDLQO-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN Cc1c(F)ccc(CN2CCCC23CC3)c1Cl ZINC001236709673 1130997119 /nfs/dbraw/zinc/99/71/19/1130997119.db2.gz ZJXSERJOXLYUBT-UHFFFAOYSA-N 0 1 253.748 3.916 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1ccc(F)c(O)c1 ZINC001236709744 1130997376 /nfs/dbraw/zinc/99/73/76/1130997376.db2.gz HIXHVVVQYOLTLX-UHFFFAOYSA-N 0 1 277.314 3.693 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1cc(C)nc(Cl)c1 ZINC000797600976 1130997629 /nfs/dbraw/zinc/99/76/29/1130997629.db2.gz IVUYWGGVGHEQEG-GFCCVEGCSA-N 0 1 289.810 3.852 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1cn2ccccc2n1 ZINC000815555125 1130998776 /nfs/dbraw/zinc/99/87/76/1130998776.db2.gz QFIKPDFYMDGGOA-CYBMUJFWSA-N 0 1 283.350 3.633 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)N[C@@H](CO)c1cccc(F)c1 ZINC000815593223 1131005952 /nfs/dbraw/zinc/00/59/52/1131005952.db2.gz FUNOZMJNAUBEEC-SJCJKPOMSA-N 0 1 291.341 3.657 20 0 CHADMN Cc1cc(Br)sc1CN1C[C@H]2CC[C@@H]1C2 ZINC001236832288 1131019461 /nfs/dbraw/zinc/01/94/61/1131019461.db2.gz KNRUTZFOYPIVBE-VHSXEESVSA-N 0 1 286.238 3.803 20 0 CHADMN C[C@H]1CCCCN1c1cccc(NCOc2ccccc2)n1 ZINC001170805090 1131028731 /nfs/dbraw/zinc/02/87/31/1131028731.db2.gz WZAGRDBXZBZDFJ-HNNXBMFYSA-N 0 1 297.402 3.909 20 0 CHADMN CC1(C)CN(Cc2ccc(-c3ccccc3F)nc2)C1 ZINC001236984176 1131033469 /nfs/dbraw/zinc/03/34/69/1131033469.db2.gz FIUKHEOCXRSDIC-UHFFFAOYSA-N 0 1 270.351 3.730 20 0 CHADMN Cc1ccc(-c2cncc(CN3CC(C)(C)C3)c2)cc1 ZINC001236991328 1131034406 /nfs/dbraw/zinc/03/44/06/1131034406.db2.gz NBLSMTMPIPXJIS-UHFFFAOYSA-N 0 1 266.388 3.899 20 0 CHADMN Fc1ccc(-c2cncc(CN3CC4(CCC4)C3)c2)cc1 ZINC001236995842 1131034917 /nfs/dbraw/zinc/03/49/17/1131034917.db2.gz BGDBMPPHCNRSOA-UHFFFAOYSA-N 0 1 282.362 3.874 20 0 CHADMN CCCC[NH+](CCCC)Cc1sc(=O)[n-]c1Cl ZINC001237150417 1131057563 /nfs/dbraw/zinc/05/75/63/1131057563.db2.gz GDBRUFYURNYPDK-UHFFFAOYSA-N 0 1 276.833 3.904 20 0 CHADMN C[N@@H+](Cc1c([O-])ccc2ccncc21)CC1CCCCC1 ZINC000027082707 1131044364 /nfs/dbraw/zinc/04/43/64/1131044364.db2.gz JXYZGVRLJAPRKS-UHFFFAOYSA-N 0 1 284.403 3.953 20 0 CHADMN C[N@H+](Cc1c([O-])ccc2ccncc21)CC1CCCCC1 ZINC000027082707 1131044371 /nfs/dbraw/zinc/04/43/71/1131044371.db2.gz JXYZGVRLJAPRKS-UHFFFAOYSA-N 0 1 284.403 3.953 20 0 CHADMN CCN(Cc1ccccn1)Cc1cc(O)cc2ccccc21 ZINC001237075350 1131044980 /nfs/dbraw/zinc/04/49/80/1131044980.db2.gz ZMFKVEVTYYPOIO-UHFFFAOYSA-N 0 1 292.382 3.963 20 0 CHADMN C[C@@H]1CN(Cc2cccc(OC(C)(C)C)c2)C[C@@H]1F ZINC001237098384 1131049315 /nfs/dbraw/zinc/04/93/15/1131049315.db2.gz KOPBGXPXTPRCEK-DOMZBBRYSA-N 0 1 265.372 3.654 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1ccc(C2CCC2)cc1 ZINC001237106267 1131050795 /nfs/dbraw/zinc/05/07/95/1131050795.db2.gz FGYTYTUKKLRSOD-SFHVURJKSA-N 0 1 271.404 3.898 20 0 CHADMN [S-]c1ccoc1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001237180473 1131064599 /nfs/dbraw/zinc/06/45/99/1131064599.db2.gz XHPBCFRDYWYNHH-CQSZACIVSA-N 0 1 273.401 3.948 20 0 CHADMN [S-]c1ccoc1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001237180473 1131064605 /nfs/dbraw/zinc/06/46/05/1131064605.db2.gz XHPBCFRDYWYNHH-CQSZACIVSA-N 0 1 273.401 3.948 20 0 CHADMN C[C@H]1CCN(Cc2ccc3cccccc2-3)CCC1=O ZINC001237192254 1131069399 /nfs/dbraw/zinc/06/93/99/1131069399.db2.gz GHMQBXBRLMJOHG-AWEZNQCLSA-N 0 1 267.372 3.592 20 0 CHADMN CN1CCN(Cc2ccc3sc4ccccc4c3c2)CC1 ZINC001237194320 1131070052 /nfs/dbraw/zinc/07/00/52/1131070052.db2.gz CLRNVMIXQZFUCL-UHFFFAOYSA-N 0 1 296.439 3.802 20 0 CHADMN COc1cccc(CN2CCC[C@H](C(F)F)C2)c1Cl ZINC001237194867 1131070975 /nfs/dbraw/zinc/07/09/75/1131070975.db2.gz ZJTNFNZPWNXWNM-NSHDSACASA-N 0 1 289.753 3.826 20 0 CHADMN Clc1ccc(CN2CCNC3=CCCC[C@@H]32)c(Cl)c1 ZINC001237219942 1131072568 /nfs/dbraw/zinc/07/25/68/1131072568.db2.gz QAUQYHBWCQIMBI-HNNXBMFYSA-N 0 1 297.229 3.835 20 0 CHADMN COc1nc(Cl)ccc1CN1CCCCCCCC1 ZINC001237249359 1131074938 /nfs/dbraw/zinc/07/49/38/1131074938.db2.gz RRGLPFOQRFXODI-UHFFFAOYSA-N 0 1 282.815 3.900 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@@H](c2ccccn2)C1 ZINC000799193176 1131076581 /nfs/dbraw/zinc/07/65/81/1131076581.db2.gz HHJOXOKCXVTVJG-CHWSQXEVSA-N 0 1 288.341 3.910 20 0 CHADMN CC[C@@H](C)N(C)Cc1cc(O)c(C)cc1Br ZINC001237299073 1131079735 /nfs/dbraw/zinc/07/97/35/1131079735.db2.gz RXFNEAIOELQTIR-SNVBAGLBSA-N 0 1 286.213 3.693 20 0 CHADMN C[C@@H]1COCCN1Cc1ccccc1CCc1ccccc1 ZINC001237294877 1131079794 /nfs/dbraw/zinc/07/97/94/1131079794.db2.gz CVLYGJLINSAYKR-QGZVFWFLSA-N 0 1 295.426 3.693 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cc(C(F)(F)F)n[nH]1)CC2 ZINC000799335474 1131081057 /nfs/dbraw/zinc/08/10/57/1131081057.db2.gz DYJHLBIQUFILKB-CYBMUJFWSA-N 0 1 295.308 3.514 20 0 CHADMN Cc1ccc(Cl)c(CN(C)C2CCOCC2)c1Cl ZINC001237328742 1131085313 /nfs/dbraw/zinc/08/53/13/1131085313.db2.gz SOHVNOLGZHTFIQ-UHFFFAOYSA-N 0 1 288.218 3.913 20 0 CHADMN CC(C)(C)OC(=O)Nc1ccccc1CN1CC(C)(C)C1 ZINC001237337631 1131086386 /nfs/dbraw/zinc/08/63/86/1131086386.db2.gz CGZJSNBELTVGBK-UHFFFAOYSA-N 0 1 290.407 3.875 20 0 CHADMN C[C@@H]1CCCN(Cc2cnccc2Br)C[C@@H]1C ZINC001237383759 1131092620 /nfs/dbraw/zinc/09/26/20/1131092620.db2.gz FCXMXZITHJPEKA-NEPJUHHUSA-N 0 1 297.240 3.712 20 0 CHADMN COc1ccc2c(c1)[nH]nc2CN1CC[C@H]2CCCC[C@H]2C1 ZINC001237392305 1131093903 /nfs/dbraw/zinc/09/39/03/1131093903.db2.gz OFHQGQBJQYOHFE-KGLIPLIRSA-N 0 1 299.418 3.584 20 0 CHADMN Cc1c(F)cccc1-c1cc(O)c(F)c(F)c1F ZINC001245636560 1131095210 /nfs/dbraw/zinc/09/52/10/1131095210.db2.gz XJLKIVSRNARFPE-UHFFFAOYSA-N 0 1 256.198 3.924 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cnccc1Br ZINC001237390346 1131095930 /nfs/dbraw/zinc/09/59/30/1131095930.db2.gz CUESQWIZRTVKBK-GFCCVEGCSA-N 0 1 283.213 3.609 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(F)c3cccnc23)cn1 ZINC001237435259 1131096832 /nfs/dbraw/zinc/09/68/32/1131096832.db2.gz WGJXYPSKGUIHKM-UHFFFAOYSA-N 0 1 295.361 3.709 20 0 CHADMN Fc1ccc(CN2CCCC[C@@H](F)C2)c2ncccc12 ZINC001237424875 1131097393 /nfs/dbraw/zinc/09/73/93/1131097393.db2.gz JRUGXLZMIVEBEA-CYBMUJFWSA-N 0 1 276.330 3.698 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1cc2ccccn2n1 ZINC001237450509 1131098242 /nfs/dbraw/zinc/09/82/42/1131098242.db2.gz SOUXBXPZNNHGRU-GOSISDBHSA-N 0 1 279.387 3.917 20 0 CHADMN Clc1[nH]c2cnccc2c1C[N@H+]1CCc2ccccc2C1 ZINC001237455098 1131098645 /nfs/dbraw/zinc/09/86/45/1131098645.db2.gz LTSWFJSKKZVVAF-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN Clc1[nH]c2cnccc2c1CN1CCc2ccccc2C1 ZINC001237455098 1131098650 /nfs/dbraw/zinc/09/86/50/1131098650.db2.gz LTSWFJSKKZVVAF-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2cc3ccccn3n2)c1 ZINC001237441864 1131099254 /nfs/dbraw/zinc/09/92/54/1131099254.db2.gz NEYNSXDWJQMFCV-LJQANCHMSA-N 0 1 291.398 3.980 20 0 CHADMN Cc1cccc(F)c1CN[C@@H](C)c1cccc(O)c1 ZINC000799718468 1131104084 /nfs/dbraw/zinc/10/40/84/1131104084.db2.gz BRIKBBKOFMDLJK-LBPRGKRZSA-N 0 1 259.324 3.691 20 0 CHADMN CC(C)(C)Oc1cccc(-c2c(O)cccc2F)n1 ZINC001245653023 1131104578 /nfs/dbraw/zinc/10/45/78/1131104578.db2.gz DUPXSOLOXQSGPC-UHFFFAOYSA-N 0 1 261.296 3.771 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1cccc3c(F)cccc13)C2 ZINC001237520057 1131109299 /nfs/dbraw/zinc/10/92/99/1131109299.db2.gz ZGNWIVSCKZUZMH-KSSFIOAISA-N 0 1 285.362 3.732 20 0 CHADMN CC[C@H]1COCCN1Cc1cccc2c(F)cccc12 ZINC001237518669 1131109332 /nfs/dbraw/zinc/10/93/32/1131109332.db2.gz NHDKNIPNCZGNAK-AWEZNQCLSA-N 0 1 273.351 3.590 20 0 CHADMN COc1ccc(OC)c(CN2CCCC3(CCC3)C2)c1F ZINC001237577620 1131116303 /nfs/dbraw/zinc/11/63/03/1131116303.db2.gz UKTBGUCNHCLZMT-UHFFFAOYSA-N 0 1 293.382 3.609 20 0 CHADMN C[C@@H]1CN(CCCc2c(F)cccc2Cl)[C@@H]1C ZINC000816646914 1131119440 /nfs/dbraw/zinc/11/94/40/1131119440.db2.gz KRPRGBYIGVVWMC-GHMZBOCLSA-N 0 1 255.764 3.752 20 0 CHADMN Cc1cc(CN2C[C@H](C)[C@@H]2C)c(OC(F)F)cc1C ZINC000816647803 1131120457 /nfs/dbraw/zinc/12/04/57/1131120457.db2.gz YKDAHFOWTFYTJY-RYUDHWBXSA-N 0 1 269.335 3.745 20 0 CHADMN Oc1cc(F)c(-c2cccc(C3COC3)c2)cc1Cl ZINC001245672121 1131123573 /nfs/dbraw/zinc/12/35/73/1131123573.db2.gz QCRKJMDPZSJNKA-UHFFFAOYSA-N 0 1 278.710 3.966 20 0 CHADMN Cc1coc(CN2CCC[C@@H]2c2ccccc2C)n1 ZINC001237638150 1131123654 /nfs/dbraw/zinc/12/36/54/1131123654.db2.gz LIMBQCCZIQAXLM-OAHLLOKOSA-N 0 1 256.349 3.629 20 0 CHADMN Cc1ccc(NC(=O)c2ccc(Cl)c(O)c2)cc1 ZINC001135679333 1131124166 /nfs/dbraw/zinc/12/41/66/1131124166.db2.gz MDLWZOTWSVZGNU-UHFFFAOYSA-N 0 1 261.708 3.606 20 0 CHADMN Cc1cnc(C(=O)Nc2cccc3ccccc32)c(O)c1 ZINC001135673193 1131125890 /nfs/dbraw/zinc/12/58/90/1131125890.db2.gz ZMNCHOYRZIQXRE-UHFFFAOYSA-N 0 1 278.311 3.501 20 0 CHADMN C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(Cl)c(O)c1 ZINC001135689728 1131126555 /nfs/dbraw/zinc/12/65/55/1131126555.db2.gz KZOHUNGZXBISDC-NSHDSACASA-N 0 1 289.762 3.879 20 0 CHADMN Oc1ccc(-c2ccc(CN3CC(C(F)F)C3)cc2)cc1 ZINC001237668818 1131126984 /nfs/dbraw/zinc/12/69/84/1131126984.db2.gz JEKNYIJAKFNNPO-UHFFFAOYSA-N 0 1 289.325 3.756 20 0 CHADMN CC(C)c1ncc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)[nH]1 ZINC001116126732 1131129937 /nfs/dbraw/zinc/12/99/37/1131129937.db2.gz UTUYRKYIODILNE-UKRRQHHQSA-N 0 1 297.402 3.551 20 0 CHADMN COc1ccc(C)c(C[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC001237708755 1131131222 /nfs/dbraw/zinc/13/12/22/1131131222.db2.gz ALPPUSDGDRLTDL-GOSISDBHSA-N 0 1 267.372 3.951 20 0 CHADMN Cc1cc(C)c(Cl)c(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c1 ZINC001237704075 1131131475 /nfs/dbraw/zinc/13/14/75/1131131475.db2.gz FELGNJAMAHSRLQ-UKRRQHHQSA-N 0 1 291.822 3.758 20 0 CHADMN COc1ccc(C)c(C[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC001237708756 1131131498 /nfs/dbraw/zinc/13/14/98/1131131498.db2.gz ALPPUSDGDRLTDL-SFHVURJKSA-N 0 1 267.372 3.951 20 0 CHADMN CCCN(Cc1ccc(C)cc1)C(=O)c1cnc(C(C)C)[nH]1 ZINC001116173763 1131132335 /nfs/dbraw/zinc/13/23/35/1131132335.db2.gz WUKZTWFHTXZHRP-UHFFFAOYSA-N 0 1 299.418 3.894 20 0 CHADMN CCOc1nccc(Nc2cccc3[nH]ncc32)c1Cl ZINC001159574581 1131133249 /nfs/dbraw/zinc/13/32/49/1131133249.db2.gz HHZFDXOTQRCXJT-UHFFFAOYSA-N 0 1 288.738 3.754 20 0 CHADMN Cc1c(Cl)cccc1CN(C)Cc1cnc2ccccn12 ZINC001237731720 1131134056 /nfs/dbraw/zinc/13/40/56/1131134056.db2.gz SSLDHZDYUDMQOG-UHFFFAOYSA-N 0 1 299.805 3.928 20 0 CHADMN CC[C@H](C)CONC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC000816980452 1131135152 /nfs/dbraw/zinc/13/51/52/1131135152.db2.gz LJQNKLYFHBFMCB-WFASDCNBSA-N 0 1 281.371 3.659 20 0 CHADMN CCC/C(C)=C\C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000817017315 1131136741 /nfs/dbraw/zinc/13/67/41/1131136741.db2.gz IUAAIDZOWCDXBK-KTKRTIGZSA-N 0 1 257.337 3.556 20 0 CHADMN CCc1cc(Br)ccc1CN1CC2CC(C2)C1 ZINC001237748043 1131137927 /nfs/dbraw/zinc/13/79/27/1131137927.db2.gz AIRWWVOMQGOMGO-UHFFFAOYSA-N 0 1 294.236 3.853 20 0 CHADMN COc1ccc(CN2CCC[C@@H](C)[C@H](C)C2)c(Cl)n1 ZINC001237792363 1131141012 /nfs/dbraw/zinc/14/10/12/1131141012.db2.gz PMSOUAGHAPFBRS-VXGBXAGGSA-N 0 1 282.815 3.612 20 0 CHADMN Cc1nc(C[N@H+]2CCC3(C2)CCCCC3)ccc1F ZINC001237824063 1131144123 /nfs/dbraw/zinc/14/41/23/1131144123.db2.gz MWQLQVMIGBSEKB-UHFFFAOYSA-N 0 1 262.372 3.685 20 0 CHADMN Cc1nc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)ccc1F ZINC001237819017 1131144205 /nfs/dbraw/zinc/14/42/05/1131144205.db2.gz ZPSBDKNZMJEYJO-CYBMUJFWSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3ccccc3F)C2)ccc1F ZINC001237819017 1131144207 /nfs/dbraw/zinc/14/42/07/1131144207.db2.gz ZPSBDKNZMJEYJO-CYBMUJFWSA-N 0 1 288.341 3.658 20 0 CHADMN CCc1ncc(CN2CCC3(CC(F)(F)C3)CC2)s1 ZINC001237821529 1131144807 /nfs/dbraw/zinc/14/48/07/1131144807.db2.gz NUXOUOCCKMCYAV-UHFFFAOYSA-N 0 1 286.391 3.717 20 0 CHADMN c1cc2c(s1)CCN(Cc1ccccc1N1CCCC1)C2 ZINC001116438070 1131145354 /nfs/dbraw/zinc/14/53/54/1131145354.db2.gz ASCWBBBKBNBYQA-UHFFFAOYSA-N 0 1 298.455 3.907 20 0 CHADMN CCN(Cc1cccc(OC)c1Br)C(C)C ZINC001237860735 1131145584 /nfs/dbraw/zinc/14/55/84/1131145584.db2.gz DCHCBHWBIZKJCO-UHFFFAOYSA-N 0 1 286.213 3.688 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1[nH]c(-c2ccc[nH]2)cc1OC ZINC001237877445 1131146554 /nfs/dbraw/zinc/14/65/54/1131146554.db2.gz ILNRNQZVQHIBET-ZDUSSCGKSA-N 0 1 287.407 3.783 20 0 CHADMN COc1ccoc1C[N@@H+](C)C(C)(C)Cc1ccccc1 ZINC001237877206 1131147890 /nfs/dbraw/zinc/14/78/90/1131147890.db2.gz SKVSUVVKKCDKTL-UHFFFAOYSA-N 0 1 273.376 3.741 20 0 CHADMN Cc1c(C(=O)Nc2ccccc2Cl)ccc2cncn21 ZINC001116502262 1131150773 /nfs/dbraw/zinc/15/07/73/1131150773.db2.gz OVYNQUCVHSFZJV-UHFFFAOYSA-N 0 1 285.734 3.548 20 0 CHADMN Cc1c(C(=O)Nc2ccc(Cl)cc2)ccc2cncn21 ZINC001116499713 1131151187 /nfs/dbraw/zinc/15/11/87/1131151187.db2.gz UWKWXLHZWSJZEA-UHFFFAOYSA-N 0 1 285.734 3.548 20 0 CHADMN CCCOc1cc(F)ccc1CN1CC[C@@H](OC)C[C@H]1C ZINC001237913416 1131151926 /nfs/dbraw/zinc/15/19/26/1131151926.db2.gz IPQAEYSGTLPVPF-CZUORRHYSA-N 0 1 295.398 3.614 20 0 CHADMN CN(Cc1cnc(C(F)(F)F)s1)C[C@@H]1CC1(C)C ZINC001237948132 1131155519 /nfs/dbraw/zinc/15/55/19/1131155519.db2.gz XJCXUOQKJMORSF-QMMMGPOBSA-N 0 1 278.343 3.640 20 0 CHADMN Cc1sccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001237971042 1131156250 /nfs/dbraw/zinc/15/62/50/1131156250.db2.gz ZTBGIFOWBLKURA-TXEJJXNPSA-N 0 1 257.349 3.534 20 0 CHADMN Cc1sccc1CN1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001237965464 1131156401 /nfs/dbraw/zinc/15/64/01/1131156401.db2.gz ZQHPOGRHWFDBID-ZDUSSCGKSA-N 0 1 297.420 3.583 20 0 CHADMN CCC[N@@H+](C)Cc1cc(F)cc(Br)c1F ZINC001238072559 1131168082 /nfs/dbraw/zinc/16/80/82/1131168082.db2.gz BZEJQCIRTGNVPY-UHFFFAOYSA-N 0 1 278.140 3.569 20 0 CHADMN CCCN(C)Cc1cc(F)cc(Br)c1F ZINC001238072559 1131168083 /nfs/dbraw/zinc/16/80/83/1131168083.db2.gz BZEJQCIRTGNVPY-UHFFFAOYSA-N 0 1 278.140 3.569 20 0 CHADMN Cc1sccc1C[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001237970599 1131156844 /nfs/dbraw/zinc/15/68/44/1131156844.db2.gz ILAIKFMUCUNYFZ-ROUUACIJSA-N 0 1 298.455 3.515 20 0 CHADMN Cc1sccc1C[N@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001237974266 1131156940 /nfs/dbraw/zinc/15/69/40/1131156940.db2.gz OFLHXTIVIOSSJK-CYBMUJFWSA-N 0 1 295.448 3.610 20 0 CHADMN C[C@@H]1CCN(Cc2n[nH]c3cc(Cl)ccc32)CC1(F)F ZINC001237993326 1131160501 /nfs/dbraw/zinc/16/05/01/1131160501.db2.gz OBHGMVKMJUKURI-SECBINFHSA-N 0 1 299.752 3.693 20 0 CHADMN c1cc(CN2CC3(C2)CCCCC3)nc(N2CCCCC2)c1 ZINC001238002604 1131161599 /nfs/dbraw/zinc/16/15/99/1131161599.db2.gz GNIXFJGBUIUKQQ-UHFFFAOYSA-N 0 1 299.462 3.838 20 0 CHADMN Fc1cc(Cl)c(CN2CC[C@@H](c3ccccc3)C2)cn1 ZINC001238017622 1131162837 /nfs/dbraw/zinc/16/28/37/1131162837.db2.gz NBCBRWCBBNJCRB-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN CCCCN(CCC)Cc1cnc(F)cc1Cl ZINC001238022628 1131162889 /nfs/dbraw/zinc/16/28/89/1131162889.db2.gz GUULYFPWTFNQLV-UHFFFAOYSA-N 0 1 258.768 3.886 20 0 CHADMN COc1ncc(C2CC2)cc1CN(C)CCc1ccccc1 ZINC001238025867 1131162940 /nfs/dbraw/zinc/16/29/40/1131162940.db2.gz BNJVVDOCSIBKLC-UHFFFAOYSA-N 0 1 296.414 3.642 20 0 CHADMN CCOC(=O)c1c(Cl)cccc1CN1CC[C@@H](CC)C1 ZINC001238051596 1131164698 /nfs/dbraw/zinc/16/46/98/1131164698.db2.gz OBJOZPQDBYWXCJ-GFCCVEGCSA-N 0 1 295.810 3.749 20 0 CHADMN Cc1cc(CN[C@@H](CC(F)(F)F)c2ccccc2C)[nH]n1 ZINC001116800880 1131164793 /nfs/dbraw/zinc/16/47/93/1131164793.db2.gz LDJHSFOFQIYDLO-AWEZNQCLSA-N 0 1 297.324 3.810 20 0 CHADMN Cc1cc(Nc2ccc3c[nH]nc3c2)cc(Cl)c1O ZINC001159663197 1131169756 /nfs/dbraw/zinc/16/97/56/1131169756.db2.gz UTNKIURFYHLGMM-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1cc(CN2CC(c3cccnc3)C2)cc(C)c1Cl ZINC001238098325 1131170488 /nfs/dbraw/zinc/17/04/88/1131170488.db2.gz XSJHNCAWCRVDQP-UHFFFAOYSA-N 0 1 286.806 3.951 20 0 CHADMN Cc1ccc(O)cc1C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC001238100581 1131171346 /nfs/dbraw/zinc/17/13/46/1131171346.db2.gz DMSDRVREZAJUGH-AWEZNQCLSA-N 0 1 267.372 3.647 20 0 CHADMN C[N@@H+](CC[C@@H](O)c1ccccc1)Cc1cc2ccccc2[nH]1 ZINC001117133617 1131173494 /nfs/dbraw/zinc/17/34/94/1131173494.db2.gz MJHLITBMEGHAPK-LJQANCHMSA-N 0 1 294.398 3.723 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)cc1Cl ZINC001238145071 1131174374 /nfs/dbraw/zinc/17/43/74/1131174374.db2.gz BWAOMUWNYHEKRV-QWRGUYRKSA-N 0 1 283.774 3.807 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@@H+](C)C/C=C/c1ccccc1 ZINC001238146803 1131174514 /nfs/dbraw/zinc/17/45/14/1131174514.db2.gz ZMCJKWSHPSGPHC-RMKNXTFCSA-N 0 1 295.382 3.838 20 0 CHADMN C[N@@H+](Cc1cc(Cl)c([O-])cc1F)C1CCCC1 ZINC001238147820 1131174534 /nfs/dbraw/zinc/17/45/34/1131174534.db2.gz BNYGOGYPENUZHQ-UHFFFAOYSA-N 0 1 257.736 3.559 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@H+]1CCc2ccccc2[C@H]1C ZINC001238134457 1131174696 /nfs/dbraw/zinc/17/46/96/1131174696.db2.gz FKUAGKISMFEIBW-CQSZACIVSA-N 0 1 295.382 3.813 20 0 CHADMN Cc1ncncc1CN(C)Cc1cccc2ccccc21 ZINC001238169153 1131175652 /nfs/dbraw/zinc/17/56/52/1131175652.db2.gz KQEDULPWKBDJCX-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Oc1cc(F)c(CN2CCC[C@@H](C(F)F)C2)cc1Cl ZINC001238152069 1131175765 /nfs/dbraw/zinc/17/57/65/1131175765.db2.gz LKVQYZJHMUPKNS-MRVPVSSYSA-N 0 1 293.716 3.662 20 0 CHADMN Cc1ncncc1CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC001238175588 1131176863 /nfs/dbraw/zinc/17/68/63/1131176863.db2.gz NUPRNLMNUJXBDN-GFCCVEGCSA-N 0 1 275.783 3.631 20 0 CHADMN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)c(O)c1 ZINC001135999477 1131182736 /nfs/dbraw/zinc/18/27/36/1131182736.db2.gz NBNUDZSFTSKJDU-JTQLQIEISA-N 0 1 287.746 3.637 20 0 CHADMN CCN(Cc1ccc(F)c(C(F)(F)F)c1F)C1CC1 ZINC001238246486 1131186390 /nfs/dbraw/zinc/18/63/90/1131186390.db2.gz HQKLQJXQMSQIJI-UHFFFAOYSA-N 0 1 279.252 3.968 20 0 CHADMN Cc1cc(CN(C)CCc2ccccn2)c(F)cc1Cl ZINC001238301553 1131188483 /nfs/dbraw/zinc/18/84/83/1131188483.db2.gz ANARMJUESUGGTQ-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN Cc1cc(CN2CC[C@H]3O[C@@H](C)C[C@H]3C2)c(F)cc1Cl ZINC001238299758 1131189001 /nfs/dbraw/zinc/18/90/01/1131189001.db2.gz HJNKCXPANHERAJ-DETPVDSQSA-N 0 1 297.801 3.787 20 0 CHADMN COc1ccc(Cl)cc1-c1ccc2nc[nH]c2c1 ZINC001245815055 1131189435 /nfs/dbraw/zinc/18/94/35/1131189435.db2.gz ZIIJVEGDJYQUTO-UHFFFAOYSA-N 0 1 258.708 3.892 20 0 CHADMN CSCCN(C)Cc1cc(C)c(Cl)cc1F ZINC001238306307 1131189791 /nfs/dbraw/zinc/18/97/91/1131189791.db2.gz OSKNISCZTPNROV-UHFFFAOYSA-N 0 1 261.793 3.582 20 0 CHADMN CC[C@@H](C)N(C)Cc1c(F)ccc(Cl)c1OC ZINC001238337725 1131190890 /nfs/dbraw/zinc/19/08/90/1131190890.db2.gz FVXVQCATMQJXCL-SECBINFHSA-N 0 1 259.752 3.718 20 0 CHADMN CO[C@H]1CCN(Cc2cccc(F)c2OC(C)C)[C@H](C)C1 ZINC001238336635 1131191593 /nfs/dbraw/zinc/19/15/93/1131191593.db2.gz NEUUNPDBPDSTFJ-HIFRSBDPSA-N 0 1 295.398 3.612 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CC[C@@H](OC(C)C)C1 ZINC001238325124 1131191905 /nfs/dbraw/zinc/19/19/05/1131191905.db2.gz XGBUYARLEMAFBF-OAHLLOKOSA-N 0 1 295.398 3.612 20 0 CHADMN COc1c(Cl)ccc(F)c1CN(C)CC1CCC1 ZINC001238342144 1131192327 /nfs/dbraw/zinc/19/23/27/1131192327.db2.gz OUKSXVNDLXTCMN-UHFFFAOYSA-N 0 1 271.763 3.720 20 0 CHADMN C[C@H]1CCN1Cc1ccc(F)c(OCc2ccccc2)c1 ZINC001238340664 1131193115 /nfs/dbraw/zinc/19/31/15/1131193115.db2.gz WLAIEMRNJDZZBU-AWEZNQCLSA-N 0 1 285.362 3.999 20 0 CHADMN Cc1cc(OCC[C@@H]2CC2(Cl)Cl)cc(C)n1 ZINC000818079384 1131198767 /nfs/dbraw/zinc/19/87/67/1131198767.db2.gz FVMRIZUINLWZNQ-SNVBAGLBSA-N 0 1 260.164 3.661 20 0 CHADMN Cc1cnc(CN(C)Cc2ccccc2C)c(C)c1 ZINC001238431766 1131199826 /nfs/dbraw/zinc/19/98/26/1131199826.db2.gz ZJHARSUIFGJEDE-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN CC(C)Oc1cccc(CN2CC[C@@H](OC(C)C)C2)c1F ZINC001238430596 1131200547 /nfs/dbraw/zinc/20/05/47/1131200547.db2.gz PMNTYDXXLIOSKY-OAHLLOKOSA-N 0 1 295.398 3.612 20 0 CHADMN CC(C)Oc1ccc(CN2CCCCC2)c(F)c1 ZINC001238445603 1131201718 /nfs/dbraw/zinc/20/17/18/1131201718.db2.gz SLWINFRYQJRVOD-UHFFFAOYSA-N 0 1 251.345 3.599 20 0 CHADMN Cc1cc(CN2CC(c3ccc(F)cc3)C2)cs1 ZINC001117814786 1131202366 /nfs/dbraw/zinc/20/23/66/1131202366.db2.gz NFOLYMAOPJSHIQ-UHFFFAOYSA-N 0 1 261.365 3.795 20 0 CHADMN CC(C)Oc1cc(CN2C[C@H]3[C@H](CC3(F)F)C2)ccc1F ZINC001238453756 1131202553 /nfs/dbraw/zinc/20/25/53/1131202553.db2.gz DVVXQAMQNRKHCR-OLZOCXBDSA-N 0 1 299.336 3.700 20 0 CHADMN COc1c(CN2CCC[C@@H]3CCC[C@@H]32)ccc(F)c1F ZINC001238473567 1131205271 /nfs/dbraw/zinc/20/52/71/1131205271.db2.gz RPIYEKAFIUBWEZ-FZMZJTMJSA-N 0 1 281.346 3.738 20 0 CHADMN COc1cnc(CN2CCC[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC001238486882 1131207349 /nfs/dbraw/zinc/20/73/49/1131207349.db2.gz HBPGPAJGOQZKHZ-MLGOLLRUSA-N 0 1 294.826 3.898 20 0 CHADMN CCCCOc1ncc(CN2C[C@@H]3C[C@H]2C[C@H]3F)cc1C ZINC001238488172 1131208580 /nfs/dbraw/zinc/20/85/80/1131208580.db2.gz GFQGGUJSHBNXGK-HRCADAONSA-N 0 1 292.398 3.501 20 0 CHADMN Cc1c(Cl)ccc(CN2CC[C@H]3OCCC[C@@H]3C2)c1F ZINC001238511078 1131210804 /nfs/dbraw/zinc/21/08/04/1131210804.db2.gz CJODJTJPNOPDRT-IUODEOHRSA-N 0 1 297.801 3.788 20 0 CHADMN Cc1c(Cl)ccc(CN2CCC[C@@](C)(O)[C@H](C)C2)c1F ZINC001238511925 1131211056 /nfs/dbraw/zinc/21/10/56/1131211056.db2.gz JKPPSOBDDPZMSP-BDJLRTHQSA-N 0 1 299.817 3.770 20 0 CHADMN CCN(CCn1ccnc1)Cc1ccc(Cl)c(C)c1F ZINC001238521100 1131213753 /nfs/dbraw/zinc/21/37/53/1131213753.db2.gz HZFVSMQRWBQUJE-UHFFFAOYSA-N 0 1 295.789 3.506 20 0 CHADMN Cc1cc(F)cc(Br)c1CN(C)CC(C)C ZINC001238562030 1131216309 /nfs/dbraw/zinc/21/63/09/1131216309.db2.gz AJYTYSQZVKKBLN-UHFFFAOYSA-N 0 1 288.204 3.984 20 0 CHADMN Cc1ccc(Cl)c(CN2CC[C@H]3CCCO[C@H]3C2)c1 ZINC001238566014 1131216394 /nfs/dbraw/zinc/21/63/94/1131216394.db2.gz YRIZHBJJPXSCPY-CJNGLKHVSA-N 0 1 279.811 3.649 20 0 CHADMN CC(C)Oc1cc(CN2CCCCCCC2)cnc1F ZINC001238600438 1131221540 /nfs/dbraw/zinc/22/15/40/1131221540.db2.gz ORYBWPGPLSQKBV-UHFFFAOYSA-N 0 1 280.387 3.774 20 0 CHADMN Clc1cccc2c1C[C@H](N1CCc3cnccc3C1)CC2 ZINC001170916779 1131221784 /nfs/dbraw/zinc/22/17/84/1131221784.db2.gz DYEUZMJDIOUQGE-MRXNPFEDSA-N 0 1 298.817 3.651 20 0 CHADMN Cc1cnc(-c2ccccc2)c(CN2CC(C(F)F)C2)c1 ZINC001238617805 1131223604 /nfs/dbraw/zinc/22/36/04/1131223604.db2.gz ZKGLXEJMCFOCPC-UHFFFAOYSA-N 0 1 288.341 3.754 20 0 CHADMN CCOc1cc(F)c(F)cc1CN1C[C@@H]2CCC[C@H]2C1 ZINC001238652193 1131226872 /nfs/dbraw/zinc/22/68/72/1131226872.db2.gz OIVLZGNTKKXQCY-RYUDHWBXSA-N 0 1 281.346 3.595 20 0 CHADMN CCOc1cc(F)c(F)cc1CN1CCCCC12CC2 ZINC001238661127 1131227681 /nfs/dbraw/zinc/22/76/81/1131227681.db2.gz PDQZABCCYOIXJG-UHFFFAOYSA-N 0 1 281.346 3.882 20 0 CHADMN CCc1ccc(-c2n[nH]c(S[C@@H]3CCSC3)n2)cc1 ZINC001118469386 1131227923 /nfs/dbraw/zinc/22/79/23/1131227923.db2.gz DKHUETYEKITBAE-GFCCVEGCSA-N 0 1 291.445 3.632 20 0 CHADMN Cc1cc(OC(C)C)cc(C)c1CN1C[C@@H](C)OC[C@@H]1C ZINC001238673740 1131229429 /nfs/dbraw/zinc/22/94/29/1131229429.db2.gz OBAURNVIWLLJNJ-JKSUJKDBSA-N 0 1 291.435 3.700 20 0 CHADMN CC(C)(C)c1ccc(-c2noc([C@@H]3CCCCN3)n2)cc1 ZINC000823152925 1131414776 /nfs/dbraw/zinc/41/47/76/1131414776.db2.gz ORTBXSLJQKTSJY-AWEZNQCLSA-N 0 1 285.391 3.849 20 0 CHADMN ClC1(Cl)C[C@@H]1CCN1CCC=C(c2ccco2)C1 ZINC000823116246 1131415688 /nfs/dbraw/zinc/41/56/88/1131415688.db2.gz SLNVRIJPJTWCLI-LBPRGKRZSA-N 0 1 286.202 3.953 20 0 CHADMN CC/C(C)=C/C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000823267255 1131419210 /nfs/dbraw/zinc/41/92/10/1131419210.db2.gz SBJRCXGOHZGWFL-PCYYEKQGSA-N 0 1 291.782 3.750 20 0 CHADMN C[C@@H]1CCN[C@@H](c2nc(-c3ccc(Cl)cc3F)no2)C1 ZINC000823247810 1131420221 /nfs/dbraw/zinc/42/02/21/1131420221.db2.gz KEIQULLTGWWEEF-PRHODGIISA-N 0 1 295.745 3.590 20 0 CHADMN Fc1cc2[nH]ccc2c(Nc2ccc3nc[nH]c3c2)c1 ZINC001160222980 1131422938 /nfs/dbraw/zinc/42/29/38/1131422938.db2.gz CPJNMZZKQWQNEO-UHFFFAOYSA-N 0 1 266.279 3.927 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(F)cc(F)c2F)CC1 ZINC001137868151 1131425895 /nfs/dbraw/zinc/42/58/95/1131425895.db2.gz DHDTVMKEBAQLKV-SNVBAGLBSA-N 0 1 257.299 3.726 20 0 CHADMN Fc1cc(F)c(F)c(CN2C[C@H]3CCCC[C@@H]3C2)c1 ZINC001137868205 1131426479 /nfs/dbraw/zinc/42/64/79/1131426479.db2.gz DWYSAEIVSFZXOW-GHMZBOCLSA-N 0 1 269.310 3.726 20 0 CHADMN Cl/C=C\CN1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000823461284 1131427674 /nfs/dbraw/zinc/42/76/74/1131427674.db2.gz GUEUUNQBUDEBMJ-BAQGIRSFSA-N 0 1 296.867 3.954 20 0 CHADMN CN(Cc1cc(F)c(F)cc1F)C[C@H]1CC1(C)C ZINC001137892488 1131429787 /nfs/dbraw/zinc/42/97/87/1131429787.db2.gz SRIMMQKFDLZJON-SNVBAGLBSA-N 0 1 257.299 3.582 20 0 CHADMN CCOc1ccc([C@H](C)NCc2cc(C3CC3)nn2C)cc1 ZINC000823614086 1131434581 /nfs/dbraw/zinc/43/45/81/1131434581.db2.gz LBKGVUBEBRREBG-ZDUSSCGKSA-N 0 1 299.418 3.547 20 0 CHADMN Fc1ccc(F)c(CN2CC3CCC(CC3)C2)c1F ZINC001137932166 1131438039 /nfs/dbraw/zinc/43/80/39/1131438039.db2.gz LXAFNPTXZSKJOJ-UHFFFAOYSA-N 0 1 269.310 3.726 20 0 CHADMN CN(C/C(Cl)=C/Cl)C1CCC(F)(F)CC1 ZINC000805838448 1131442039 /nfs/dbraw/zinc/44/20/39/1131442039.db2.gz BAQSEUJLNTZGFZ-VURMDHGXSA-N 0 1 258.139 3.815 20 0 CHADMN C[C@]1(NCc2cc(F)ncc2F)CCCc2ccccc21 ZINC000823867060 1131445189 /nfs/dbraw/zinc/44/51/89/1131445189.db2.gz YBDUUWOSIZJEEE-KRWDZBQOSA-N 0 1 288.341 3.701 20 0 CHADMN C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc(Cl)c(O)c1 ZINC001136791749 1131446123 /nfs/dbraw/zinc/44/61/23/1131446123.db2.gz ZUHPJDWTOHAALA-VXGBXAGGSA-N 0 1 295.810 3.992 20 0 CHADMN COc1cc(F)cc(CN[C@@H](c2ccccn2)C(C)C)c1 ZINC000823883458 1131446502 /nfs/dbraw/zinc/44/65/02/1131446502.db2.gz ZIDFYGCBAKPMCX-QGZVFWFLSA-N 0 1 288.366 3.716 20 0 CHADMN Cc1ccc(CN2CCOCC23CC3)c2ccccc12 ZINC001138018397 1131451553 /nfs/dbraw/zinc/45/15/53/1131451553.db2.gz WFPHKDLNPKTWQX-UHFFFAOYSA-N 0 1 267.372 3.513 20 0 CHADMN CC[C@H](C)c1ccc(C(=O)N(C)Cc2cn[nH]c2C)cc1 ZINC000824051491 1131452253 /nfs/dbraw/zinc/45/22/53/1131452253.db2.gz WWFCKPBTUKYUGU-LBPRGKRZSA-N 0 1 285.391 3.504 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@H](C)[C@@](C)(O)CC2)c1Cl ZINC001138022981 1131452843 /nfs/dbraw/zinc/45/28/43/1131452843.db2.gz UPFAFIYRIHLOSW-LRDDRELGSA-N 0 1 299.817 3.770 20 0 CHADMN OCC[C@H](NCc1ccc(CF)cc1)c1ccccc1F ZINC000830355055 1131453304 /nfs/dbraw/zinc/45/33/04/1131453304.db2.gz CXTSIIXTTPAHGD-KRWDZBQOSA-N 0 1 291.341 3.509 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@]3(CCOC3)C2)c1Cl ZINC001138024652 1131453795 /nfs/dbraw/zinc/45/37/95/1131453795.db2.gz HRVXWZLBBGTYSS-INIZCTEOSA-N 0 1 297.801 3.790 20 0 CHADMN Clc1cccc2c1CC[C@@H](N1CCc3ccncc3C1)C2 ZINC001171049363 1131455914 /nfs/dbraw/zinc/45/59/14/1131455914.db2.gz IEWRMGLIRMSFCO-MRXNPFEDSA-N 0 1 298.817 3.651 20 0 CHADMN CC(C)c1ccccc1CNCc1cc(C2CC2)nn1C ZINC000824236683 1131457868 /nfs/dbraw/zinc/45/78/68/1131457868.db2.gz LKQYDFALYCJHKV-UHFFFAOYSA-N 0 1 283.419 3.711 20 0 CHADMN Fc1c(F)c(F)c(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c(F)c1F ZINC000830567008 1131461562 /nfs/dbraw/zinc/46/15/62/1131461562.db2.gz YDNZZODBNADSSZ-BKPPORCPSA-N 0 1 291.263 3.660 20 0 CHADMN C/C(=C/c1ccc(Cl)cc1)CN[C@H]1CCn2ccnc21 ZINC000824525967 1131472294 /nfs/dbraw/zinc/47/22/94/1131472294.db2.gz GCBULKVGYZGOBT-WQTVUKCASA-N 0 1 287.794 3.674 20 0 CHADMN Cc1ccn2c(CN3Cc4ccccc4[C@H](C)C3)cnc2c1 ZINC001136885024 1131473103 /nfs/dbraw/zinc/47/31/03/1131473103.db2.gz BVDLZVOCDVCRJT-OAHLLOKOSA-N 0 1 291.398 3.762 20 0 CHADMN c1cc(N2CCCCC2)oc1CN1CCc2ccccc2C1 ZINC001138170986 1131474909 /nfs/dbraw/zinc/47/49/09/1131474909.db2.gz MRMOIRPYXRJTFN-UHFFFAOYSA-N 0 1 296.414 3.828 20 0 CHADMN Cc1noc(C)c1CN(C)Cc1cc2ccncc2s1 ZINC000824594122 1131476761 /nfs/dbraw/zinc/47/67/61/1131476761.db2.gz ZQIBMGZJTRBPRP-UHFFFAOYSA-N 0 1 287.388 3.533 20 0 CHADMN CC[C@@H](C)N(CC)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000824642523 1131477391 /nfs/dbraw/zinc/47/73/91/1131477391.db2.gz UQHCLQOEGWLILW-SECBINFHSA-N 0 1 295.333 3.761 20 0 CHADMN CN(Cc1ccc(Cl)cn1)Cc1cccc2cccnc21 ZINC001136929529 1131480775 /nfs/dbraw/zinc/48/07/75/1131480775.db2.gz OKDTYXCRNXTQAD-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc2c(cc1Cl)OCO2 ZINC001138245077 1131481061 /nfs/dbraw/zinc/48/10/61/1131481061.db2.gz RQLJRAUOSMQOEK-GFCCVEGCSA-N 0 1 281.783 3.833 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cccc(OC(C)(C)C)n2)C2(CC2)C1 ZINC001138285140 1131485796 /nfs/dbraw/zinc/48/57/96/1131485796.db2.gz UUVSUOUQXKTXNO-ZDUSSCGKSA-N 0 1 274.408 3.633 20 0 CHADMN CCOc1cc(CN2CCC2)ccc1OCc1ccccc1 ZINC001138286205 1131487027 /nfs/dbraw/zinc/48/70/27/1131487027.db2.gz LIRZLTOEDCSEGT-UHFFFAOYSA-N 0 1 297.398 3.870 20 0 CHADMN FC1(F)C[C@H]2CN(Cc3nc4ccccc4s3)C[C@H]2C1 ZINC001136948514 1131487284 /nfs/dbraw/zinc/48/72/84/1131487284.db2.gz HCQPBZFCMCGGSY-PHIMTYICSA-N 0 1 294.370 3.773 20 0 CHADMN CC(C)(C)c1[nH]c2ccccc2c1CN1CCOC2(CC2)C1 ZINC001138314861 1131489092 /nfs/dbraw/zinc/48/90/92/1131489092.db2.gz QKZJUPJWGFFCPY-UHFFFAOYSA-N 0 1 298.430 3.830 20 0 CHADMN Cc1ccc2c(CN3CCC[C@@H]3c3cnccn3)c[nH]c2c1 ZINC001136972922 1131493821 /nfs/dbraw/zinc/49/38/21/1131493821.db2.gz FLSGKZOPTPFKOV-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN C[C@]1(F)CCCN(Cc2c[nH]c3cccc(F)c23)C1 ZINC001136979435 1131495064 /nfs/dbraw/zinc/49/50/64/1131495064.db2.gz JYFGOAUTKHVPEQ-HNNXBMFYSA-N 0 1 264.319 3.631 20 0 CHADMN CCc1cccc2c(CN3C[C@@H](F)C[C@H]3C)c[nH]c21 ZINC001138360450 1131495415 /nfs/dbraw/zinc/49/54/15/1131495415.db2.gz XQHRMSJJKFXNFN-RISCZKNCSA-N 0 1 260.356 3.663 20 0 CHADMN COc1ccc(F)cc1CN1CC[C@@H](C)C(F)(F)CC1 ZINC001138371536 1131495870 /nfs/dbraw/zinc/49/58/70/1131495870.db2.gz XEZDOQLGGRXVAA-LLVKDONJSA-N 0 1 287.325 3.702 20 0 CHADMN Cc1c2ccccc2[nH]c1CN1CC2(C1)C[C@H](F)CS2 ZINC001138399336 1131498606 /nfs/dbraw/zinc/49/86/06/1131498606.db2.gz BGRHZMBKWUNTGT-LBPRGKRZSA-N 0 1 290.407 3.506 20 0 CHADMN Cc1c2ccccc2[nH]c1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001138397816 1131498747 /nfs/dbraw/zinc/49/87/47/1131498747.db2.gz DIYHNJMAGXYSES-BETUJISGSA-N 0 1 290.357 3.953 20 0 CHADMN Cc1c2cc(F)ccc2[nH]c1CN1CCC[C@@H]2C[C@@H]21 ZINC001138414449 1131500963 /nfs/dbraw/zinc/50/09/63/1131500963.db2.gz CETHKBJAOHRHBI-BZNIZROVSA-N 0 1 258.340 3.600 20 0 CHADMN Fc1ccc([C@@H]2CCCN2C[C@H]2CCC=CO2)c(F)c1 ZINC000825214922 1131502151 /nfs/dbraw/zinc/50/21/51/1131502151.db2.gz BDSLATPKGBIYQO-CJNGLKHVSA-N 0 1 279.330 3.794 20 0 CHADMN COc1ncc(CN(C)Cc2ccc(Cl)cc2)cc1C ZINC001137004746 1131502344 /nfs/dbraw/zinc/50/23/44/1131502344.db2.gz LMURUZLWCLHMPT-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN CCOc1ccc2ccccc2c1CN1CCOC(C)(C)C1 ZINC001138440015 1131506227 /nfs/dbraw/zinc/50/62/27/1131506227.db2.gz NKKNMEUYDAMZFA-UHFFFAOYSA-N 0 1 299.414 3.849 20 0 CHADMN CCOc1ccc2ccccc2c1CN1C[C@@H](C)O[C@H](C)C1 ZINC001138440099 1131506388 /nfs/dbraw/zinc/50/63/88/1131506388.db2.gz OTPKLUIXVKTAPO-HUUCEWRRSA-N 0 1 299.414 3.848 20 0 CHADMN CC(C)[C@H]1N(Cc2ccc(F)nc2)CC12CCCC2 ZINC000825337688 1131507686 /nfs/dbraw/zinc/50/76/86/1131507686.db2.gz IASSRHXANURBOS-OAHLLOKOSA-N 0 1 262.372 3.621 20 0 CHADMN CCOc1ccc2ccccc2c1CN1CC[C@]12CCOC2 ZINC001138444898 1131507671 /nfs/dbraw/zinc/50/76/71/1131507671.db2.gz MIJZJBBCESJABG-LJQANCHMSA-N 0 1 297.398 3.603 20 0 CHADMN Cc1c2ccccc2sc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC001138458622 1131508222 /nfs/dbraw/zinc/50/82/22/1131508222.db2.gz GCKARMQMMLTHQF-TXEJJXNPSA-N 0 1 275.417 3.819 20 0 CHADMN COc1ccc(Cl)cc1CN1CCC[C@@H](F)CC1 ZINC001138479644 1131511115 /nfs/dbraw/zinc/51/11/15/1131511115.db2.gz BXURMBILMBHJAU-CYBMUJFWSA-N 0 1 271.763 3.673 20 0 CHADMN CN(Cc1ccc2nc[nH]c2c1)[C@H](C1CCC1)C(F)(F)F ZINC001137047701 1131514859 /nfs/dbraw/zinc/51/48/59/1131514859.db2.gz HGORSZHFKGQFTD-CQSZACIVSA-N 0 1 297.324 3.726 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2cnc(-c3ccccc3)s2)C1 ZINC001138527950 1131516381 /nfs/dbraw/zinc/51/63/81/1131516381.db2.gz XENGAUQKMAAXDD-JSGCOSHPSA-N 0 1 290.407 3.990 20 0 CHADMN CC/C(C)=C\C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831884719 1131517911 /nfs/dbraw/zinc/51/79/11/1131517911.db2.gz JWNSFMSWPZNFRP-RNQWEJQRSA-N 0 1 289.423 3.595 20 0 CHADMN CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1n[nH]c2ccccc21 ZINC001143641555 1131520297 /nfs/dbraw/zinc/52/02/97/1131520297.db2.gz NUUHPCRIXWEBCH-HIFRSBDPSA-N 0 1 299.418 3.898 20 0 CHADMN COc1ccc(CN2C3CCC2CC3)cc1C(F)(F)F ZINC001143645502 1131521719 /nfs/dbraw/zinc/52/17/19/1131521719.db2.gz SEHFQJSNTJASTA-UHFFFAOYSA-N 0 1 285.309 3.841 20 0 CHADMN Cc1cc(CN2CC3(C2)CC(F)(F)CS3)c(C)s1 ZINC001138571336 1131522177 /nfs/dbraw/zinc/52/21/77/1131522177.db2.gz UXOSSKUHCDTVNW-UHFFFAOYSA-N 0 1 289.416 3.692 20 0 CHADMN CCN(Cc1c[nH]nc1C(C)(C)C)Cc1ccc(F)cc1 ZINC001138580463 1131523722 /nfs/dbraw/zinc/52/37/22/1131523722.db2.gz SYBYEAAJVZERMN-UHFFFAOYSA-N 0 1 289.398 3.868 20 0 CHADMN CCOCC1CCN(Cc2cc(F)cc(F)c2C)CC1 ZINC001143767549 1131530784 /nfs/dbraw/zinc/53/07/84/1131530784.db2.gz ATHTZTUOFZXDJX-UHFFFAOYSA-N 0 1 283.362 3.522 20 0 CHADMN Cc1c(F)cc(F)cc1C[N@H+]1CCCCC12CC2 ZINC001143767916 1131531037 /nfs/dbraw/zinc/53/10/37/1131531037.db2.gz RJIAJKRESJRWEQ-UHFFFAOYSA-N 0 1 251.320 3.792 20 0 CHADMN Cc1c(F)cc(F)cc1CN1CCCCC12CC2 ZINC001143767916 1131531038 /nfs/dbraw/zinc/53/10/38/1131531038.db2.gz RJIAJKRESJRWEQ-UHFFFAOYSA-N 0 1 251.320 3.792 20 0 CHADMN CCCONC(=O)C(C)(C)c1cccc2ccccc21 ZINC000844090048 1131531049 /nfs/dbraw/zinc/53/10/49/1131531049.db2.gz FGZCMQZJONSXKZ-UHFFFAOYSA-N 0 1 271.360 3.575 20 0 CHADMN CCC[C@H]1CCCCN1Cc1cnc(SCC)nc1 ZINC001138654456 1131533435 /nfs/dbraw/zinc/53/34/35/1131533435.db2.gz BNLDUMFREBYEDP-AWEZNQCLSA-N 0 1 279.453 3.743 20 0 CHADMN CC1(C)CCN(Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001143790526 1131534255 /nfs/dbraw/zinc/53/42/55/1131534255.db2.gz HQVYHLSHZQUJBH-UHFFFAOYSA-N 0 1 291.288 3.956 20 0 CHADMN CN(CCc1cccnc1)Cc1cc(F)ccc1Cl ZINC001138674567 1131534950 /nfs/dbraw/zinc/53/49/50/1131534950.db2.gz WDZZUGNYSXPNMS-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3cc(F)ccc3Cl)C[C@@H]21 ZINC001138673591 1131535245 /nfs/dbraw/zinc/53/52/45/1131535245.db2.gz BJHKJPDZFHURSI-TXEJJXNPSA-N 0 1 253.748 3.567 20 0 CHADMN Fc1ccc(Cl)c(CN2CC[C@@H](COCC3CC3)C2)c1 ZINC001138675433 1131536309 /nfs/dbraw/zinc/53/63/09/1131536309.db2.gz VTIMZKQIWFSBNG-CYBMUJFWSA-N 0 1 297.801 3.728 20 0 CHADMN CN(Cc1ccc2c(c1)CCCO2)Cc1ccccc1F ZINC001138716480 1131540208 /nfs/dbraw/zinc/54/02/08/1131540208.db2.gz KLIYPIQHLXFRBZ-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN COc1cc(Cl)cc(CN2CCC[C@H](C)C2)c1OC ZINC001138744446 1131545073 /nfs/dbraw/zinc/54/50/73/1131545073.db2.gz VTZMPEWSBXURJN-NSHDSACASA-N 0 1 283.799 3.589 20 0 CHADMN CCCCc1ccc(CN2CCOC[C@@H]2C2CC2)s1 ZINC001138754583 1131546247 /nfs/dbraw/zinc/54/62/47/1131546247.db2.gz GNEQRVAZMHRMMJ-MRXNPFEDSA-N 0 1 279.449 3.702 20 0 CHADMN O[C@@H](CN1CC2(CCC2)[C@@H]1c1ccco1)c1ccccc1 ZINC000832226730 1131548864 /nfs/dbraw/zinc/54/88/64/1131548864.db2.gz YLTSWHYSPVHATA-RDJZCZTQSA-N 0 1 283.371 3.540 20 0 CHADMN COc1ccc(CN2CCC[C@@H](C)[C@@H]2C)c(F)c1F ZINC001143910772 1131552235 /nfs/dbraw/zinc/55/22/35/1131552235.db2.gz MAMTZARWWDYRKJ-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1cnc2ccccc2n1 ZINC001138865438 1131555984 /nfs/dbraw/zinc/55/59/84/1131555984.db2.gz KXSIWIUHASKUTM-JXMROGBWSA-N 0 1 289.382 3.775 20 0 CHADMN CCOc1ccc(F)c(CN2CCC[C@@H](C)[C@@H]2C)c1F ZINC001143937355 1131556280 /nfs/dbraw/zinc/55/62/80/1131556280.db2.gz KSSXJLGPQALYNW-NEPJUHHUSA-N 0 1 283.362 3.984 20 0 CHADMN Cc1ccccc1CN(C)Cc1cnc2ccccc2n1 ZINC001138866150 1131556995 /nfs/dbraw/zinc/55/69/95/1131556995.db2.gz LQQTZZIRKXTNKN-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Fc1ccc(Cl)c(CN2C[C@@H]3CCC[C@@H]3C2)c1F ZINC001143946672 1131558331 /nfs/dbraw/zinc/55/83/31/1131558331.db2.gz UNOATSVQGGUNGX-AOOOYVTPSA-N 0 1 271.738 3.850 20 0 CHADMN CC(C)c1cnc(CN2CCc3ccccc3[C@H](C)C2)o1 ZINC000844425349 1131560946 /nfs/dbraw/zinc/56/09/46/1131560946.db2.gz QZXITMLVFIDGSH-CQSZACIVSA-N 0 1 284.403 3.960 20 0 CHADMN FC(F)C1CCN(Cc2cnc3[nH]ccc3c2Cl)CC1 ZINC001138934342 1131560965 /nfs/dbraw/zinc/56/09/65/1131560965.db2.gz AGAZHNFHIJJZFP-UHFFFAOYSA-N 0 1 299.752 3.645 20 0 CHADMN Clc1c2cc[nH]c2ncc1CN(CC1CC1)C1CC1 ZINC001138933501 1131561577 /nfs/dbraw/zinc/56/15/77/1131561577.db2.gz CLJRQJUVTKTTAY-UHFFFAOYSA-N 0 1 275.783 3.542 20 0 CHADMN CCN1[C@H](C)CN(C(=O)CCC2CCCCCC2)C[C@@H]1C ZINC001143982266 1131561903 /nfs/dbraw/zinc/56/19/03/1131561903.db2.gz NZKDUVDSSADEPZ-IYBDPMFKSA-N 0 1 294.483 3.678 20 0 CHADMN CC(C)COc1ccc(CN2CCOC[C@@H]2C(C)C)cc1 ZINC001138970777 1131567722 /nfs/dbraw/zinc/56/77/22/1131567722.db2.gz WYVYPQNQJCDYNW-GOSISDBHSA-N 0 1 291.435 3.578 20 0 CHADMN CC(C)Oc1cccc(CN2CCC[C@@H]2c2cnccn2)c1 ZINC001138986842 1131569107 /nfs/dbraw/zinc/56/91/07/1131569107.db2.gz ZFZJDTSPQONRST-GOSISDBHSA-N 0 1 297.402 3.601 20 0 CHADMN CCCOc1ccccc1CN1CC[C@@H](C(F)(F)F)C1 ZINC001139002096 1131571128 /nfs/dbraw/zinc/57/11/28/1131571128.db2.gz SKOZZAMQRSNHJM-CYBMUJFWSA-N 0 1 287.325 3.860 20 0 CHADMN CCOc1ccc(Cl)cc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001139008438 1131571693 /nfs/dbraw/zinc/57/16/93/1131571693.db2.gz ZKKKPDLDZQQQOW-BPNCWPANSA-N 0 1 283.774 3.529 20 0 CHADMN CCOc1c(F)cc(CN2CCCC[C@@H]2C)cc1F ZINC001144017555 1131571931 /nfs/dbraw/zinc/57/19/31/1131571931.db2.gz NNHAGPQFMVOYAU-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CC[C@H](OC)C[C@@H]1C ZINC001139012395 1131572354 /nfs/dbraw/zinc/57/23/54/1131572354.db2.gz OMIKPYVNLCUDRS-WFASDCNBSA-N 0 1 297.826 3.738 20 0 CHADMN C[C@@H](CC(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1)CC(C)(C)C ZINC001144024327 1131573658 /nfs/dbraw/zinc/57/36/58/1131573658.db2.gz JUQMLHWEJSKFKO-GJZGRUSLSA-N 0 1 296.499 3.638 20 0 CHADMN C[C@@H](CC(=O)N1CCN(C)[C@H](C(C)(C)C)C1)CC(C)(C)C ZINC001144024327 1131573664 /nfs/dbraw/zinc/57/36/64/1131573664.db2.gz JUQMLHWEJSKFKO-GJZGRUSLSA-N 0 1 296.499 3.638 20 0 CHADMN CCn1ccc2c1cccc2CN1CCC[C@H](F)C1 ZINC001139153030 1131587137 /nfs/dbraw/zinc/58/71/37/1131587137.db2.gz CAJZBXYZDRUHIN-AWEZNQCLSA-N 0 1 260.356 3.595 20 0 CHADMN CC[N@@H+](Cc1ccccn1)Cc1cccc2c1ccn2C ZINC001139159045 1131588943 /nfs/dbraw/zinc/58/89/43/1131588943.db2.gz GYDPPCINPFBONQ-UHFFFAOYSA-N 0 1 279.387 3.595 20 0 CHADMN CCc1cc(CN2CC3(CCC3)C2)cc(CC)c1O ZINC001144140302 1131589752 /nfs/dbraw/zinc/58/97/52/1131589752.db2.gz SLTLRZRKAODODE-UHFFFAOYSA-N 0 1 259.393 3.503 20 0 CHADMN COc1ccccc1CN(C)Cc1ccc2cccnc2c1 ZINC001139169731 1131591624 /nfs/dbraw/zinc/59/16/24/1131591624.db2.gz SSVQOJTZTZXPRZ-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN CCCCc1nc(Cl)c(CN2CCCCC23CC3)[nH]1 ZINC001139179612 1131592221 /nfs/dbraw/zinc/59/22/21/1131592221.db2.gz URSNLZDICKCRRE-UHFFFAOYSA-N 0 1 281.831 3.924 20 0 CHADMN Cc1cccc2[nH]cc(CN3Cc4ccccc4C3)c21 ZINC001139191542 1131593554 /nfs/dbraw/zinc/59/35/54/1131593554.db2.gz WAHBQTYFCIMHPX-UHFFFAOYSA-N 0 1 262.356 3.992 20 0 CHADMN Cc1cccc2[nH]cc(CN3CC[C@@](C)(F)[C@@H](F)C3)c21 ZINC001139191732 1131594266 /nfs/dbraw/zinc/59/42/66/1131594266.db2.gz BFEWDAPTMPJJNZ-GOEBONIOSA-N 0 1 278.346 3.748 20 0 CHADMN Cn1ccc2cc(CN3CCc4c(F)cccc4C3)ccc21 ZINC001139190943 1131594353 /nfs/dbraw/zinc/59/43/53/1131594353.db2.gz BIYURLBOSIPZKW-UHFFFAOYSA-N 0 1 294.373 3.876 20 0 CHADMN C[C@@H]1CN(Cc2[nH]nc3ccc(F)cc32)Cc2ccccc21 ZINC001144191181 1131595806 /nfs/dbraw/zinc/59/58/06/1131595806.db2.gz HCAHOTQOCPCWNH-GFCCVEGCSA-N 0 1 295.361 3.821 20 0 CHADMN FC[C@H]1[C@@H]2CN(Cc3ccc(Oc4ccccc4)nc3)C[C@H]12 ZINC001139247740 1131598442 /nfs/dbraw/zinc/59/84/42/1131598442.db2.gz NGRBCGNRCFUINS-OSYLJGHBSA-N 0 1 298.361 3.521 20 0 CHADMN C[C@]1(CF)CCN(Cc2sccc2Br)C1 ZINC001139309400 1131601307 /nfs/dbraw/zinc/60/13/07/1131601307.db2.gz WMSAHEHSQDCPJD-LLVKDONJSA-N 0 1 292.217 3.692 20 0 CHADMN C[N@@H+](Cc1ccccc1)Cc1ccc(N2CCCCC2)nc1 ZINC001139339890 1131602713 /nfs/dbraw/zinc/60/27/13/1131602713.db2.gz HMELDTUGXUXJHE-UHFFFAOYSA-N 0 1 295.430 3.704 20 0 CHADMN CN(Cc1ccccc1)Cc1ccc(N2CCCCC2)nc1 ZINC001139339890 1131602714 /nfs/dbraw/zinc/60/27/14/1131602714.db2.gz HMELDTUGXUXJHE-UHFFFAOYSA-N 0 1 295.430 3.704 20 0 CHADMN F[C@H]1CCCN(Cc2cscc2Br)CC1 ZINC001139348439 1131603506 /nfs/dbraw/zinc/60/35/06/1131603506.db2.gz RSHFGAPNVQDCEB-JTQLQIEISA-N 0 1 292.217 3.835 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2ccc(O)cn2)cc1 ZINC001144265295 1131606912 /nfs/dbraw/zinc/60/69/12/1131606912.db2.gz MLTXPFYPIQESEF-GOSISDBHSA-N 0 1 298.386 3.523 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2ccc(O)cn2)cc1 ZINC001144265296 1131607521 /nfs/dbraw/zinc/60/75/21/1131607521.db2.gz MLTXPFYPIQESEF-SFHVURJKSA-N 0 1 298.386 3.523 20 0 CHADMN CC(C)[C@@H](N)c1noc(/C=C\C2CCCCCC2)n1 ZINC000844906716 1131607636 /nfs/dbraw/zinc/60/76/36/1131607636.db2.gz SHXWFEUSWDMIGP-CFYYFVFUSA-N 0 1 263.385 3.709 20 0 CHADMN CCN(Cc1cccc(Br)c1F)C1CC1 ZINC001139531894 1131613535 /nfs/dbraw/zinc/61/35/35/1131613535.db2.gz ZKDYDDNNSFYTPT-UHFFFAOYSA-N 0 1 272.161 3.573 20 0 CHADMN CC1(C)OCCC12CCN(Cc1cccc(Cl)n1)CC2 ZINC001139552834 1131615682 /nfs/dbraw/zinc/61/56/82/1131615682.db2.gz WLYOYZXFEBBHQS-UHFFFAOYSA-N 0 1 294.826 3.516 20 0 CHADMN Fc1ccc2c(c1)CN(Cc1cnc(-c3ccccc3)[nH]1)C2 ZINC001139555137 1131615724 /nfs/dbraw/zinc/61/57/24/1131615724.db2.gz PMDSBBQTCFMYTC-UHFFFAOYSA-N 0 1 293.345 3.732 20 0 CHADMN FC1CC2(C1)CCCN(Cc1cc(Cl)ccn1)CC2 ZINC001139566187 1131616293 /nfs/dbraw/zinc/61/62/93/1131616293.db2.gz UAIDOGKFOVMJAN-UHFFFAOYSA-N 0 1 282.790 3.839 20 0 CHADMN Clc1ccnc(CN2CCC[C@@H](c3ccccn3)C2)c1 ZINC001139563270 1131616851 /nfs/dbraw/zinc/61/68/51/1131616851.db2.gz FRLFTVAPHNWNKL-CYBMUJFWSA-N 0 1 287.794 3.510 20 0 CHADMN CN(CCCc1ccccc1)Cc1cn2c(cccc2F)n1 ZINC001139566705 1131617006 /nfs/dbraw/zinc/61/70/06/1131617006.db2.gz ANWHRIANPKIKOG-UHFFFAOYSA-N 0 1 297.377 3.538 20 0 CHADMN CCc1cccc(CN2CCOc3ccccc3C2)c1 ZINC001144323799 1131617224 /nfs/dbraw/zinc/61/72/24/1131617224.db2.gz NHPVQSNSQAZGLN-UHFFFAOYSA-N 0 1 267.372 3.644 20 0 CHADMN Fc1cccc2nc(C[N@H+]3CCC4(C3)CCCCC4)cn21 ZINC001139572306 1131617815 /nfs/dbraw/zinc/61/78/15/1131617815.db2.gz NCWQWCJRRONHMA-UHFFFAOYSA-N 0 1 287.382 3.630 20 0 CHADMN Fc1cccc2nc(CN3CCC4(C3)CCCCC4)cn21 ZINC001139572306 1131617818 /nfs/dbraw/zinc/61/78/18/1131617818.db2.gz NCWQWCJRRONHMA-UHFFFAOYSA-N 0 1 287.382 3.630 20 0 CHADMN CCOc1ccc(C)cc1CN1CCC(F)(F)[C@H](C)C1 ZINC001139600660 1131620511 /nfs/dbraw/zinc/62/05/11/1131620511.db2.gz SEBOBQNNEKYNCT-CYBMUJFWSA-N 0 1 283.362 3.871 20 0 CHADMN CCOc1ccc(C)cc1CN1CCc2cc(O)ccc2C1 ZINC001139600868 1131620822 /nfs/dbraw/zinc/62/08/22/1131620822.db2.gz VBZMUJFGZIBIPC-UHFFFAOYSA-N 0 1 297.398 3.658 20 0 CHADMN Cc1nc2cc(C)ccn2c1CN1CCc2ccsc2C1 ZINC001139681499 1131628085 /nfs/dbraw/zinc/62/80/85/1131628085.db2.gz XYDMRGZLNOOVAU-UHFFFAOYSA-N 0 1 297.427 3.571 20 0 CHADMN COc1ccc2c(c1)CC[N@H+](Cc1c(C)cc(O)cc1C)C2 ZINC001139711800 1131631544 /nfs/dbraw/zinc/63/15/44/1131631544.db2.gz KVGCDZIWELOFRN-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN Cc1cc(O)cc(C)c1CN1CCc2cc(F)ccc2C1 ZINC001139716608 1131632271 /nfs/dbraw/zinc/63/22/71/1131632271.db2.gz ZFFSNVHYRIDKPQ-UHFFFAOYSA-N 0 1 285.362 3.706 20 0 CHADMN COc1ncc(Cl)cc1CN1CCCCC[C@H]1C ZINC001139748098 1131634375 /nfs/dbraw/zinc/63/43/75/1131634375.db2.gz KMMBLRZCPLANMB-LLVKDONJSA-N 0 1 268.788 3.508 20 0 CHADMN COc1ncc(Cl)cc1CN1CCCCCCCC1 ZINC001139750770 1131635016 /nfs/dbraw/zinc/63/50/16/1131635016.db2.gz PPOYGGZVFYAFJD-UHFFFAOYSA-N 0 1 282.815 3.900 20 0 CHADMN COCc1ccc(CN2CC3(C2)CCCCC3)s1 ZINC001139828460 1131639845 /nfs/dbraw/zinc/63/98/45/1131639845.db2.gz NLUPNNOUPPSIKX-UHFFFAOYSA-N 0 1 265.422 3.661 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H](C)c3ccc(C)cc3)ccc12 ZINC001144453199 1131641385 /nfs/dbraw/zinc/64/13/85/1131641385.db2.gz CASLWPGUOFYZTO-LBPRGKRZSA-N 0 1 293.370 3.922 20 0 CHADMN CC1(O)CN(Cc2cccc3c4ccccc4sc32)C1 ZINC001139843163 1131641593 /nfs/dbraw/zinc/64/15/93/1131641593.db2.gz LUVRELCKJOPBKZ-UHFFFAOYSA-N 0 1 283.396 3.621 20 0 CHADMN c1ccc2c(c1)oc1c2cccc1CN1CCOCC12CC2 ZINC001139858244 1131642449 /nfs/dbraw/zinc/64/24/49/1131642449.db2.gz AQXYHLGVKCIFBB-UHFFFAOYSA-N 0 1 293.366 3.951 20 0 CHADMN Cc1ccc(CC[N@H+](C)Cc2cc(O)ccc2F)cc1 ZINC001140049014 1131658481 /nfs/dbraw/zinc/65/84/81/1131658481.db2.gz UPDJCSGFOFRMJH-UHFFFAOYSA-N 0 1 273.351 3.514 20 0 CHADMN Cc1ccc(CCN(C)Cc2cc(O)ccc2F)cc1 ZINC001140049014 1131658483 /nfs/dbraw/zinc/65/84/83/1131658483.db2.gz UPDJCSGFOFRMJH-UHFFFAOYSA-N 0 1 273.351 3.514 20 0 CHADMN Oc1ccc(F)c(CN2CCC3(CCCC3)CC2)c1 ZINC001140045711 1131658744 /nfs/dbraw/zinc/65/87/44/1131658744.db2.gz OGTCUDKNZKWSOL-UHFFFAOYSA-N 0 1 263.356 3.688 20 0 CHADMN COc1c(Cl)cccc1CN1CC[C@](C)(CF)C1 ZINC001140057522 1131659827 /nfs/dbraw/zinc/65/98/27/1131659827.db2.gz XRHZJYJOPSVXIL-CQSZACIVSA-N 0 1 271.763 3.530 20 0 CHADMN COCCC1CCN(Cc2cccc(Cl)c2OC)CC1 ZINC001140067894 1131661969 /nfs/dbraw/zinc/66/19/69/1131661969.db2.gz SDVSLDNMALWKBD-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN Oc1ccc(CN2CC=C(c3ccccc3)CC2)c(F)c1 ZINC001140128463 1131665176 /nfs/dbraw/zinc/66/51/76/1131665176.db2.gz OWGUCPDQOQHUGD-UHFFFAOYSA-N 0 1 283.346 3.821 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2cccc3c2CCC3)no1 ZINC000845903931 1131668731 /nfs/dbraw/zinc/66/87/31/1131668731.db2.gz JFMCUCXENBVQAB-GOSISDBHSA-N 0 1 282.387 3.809 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1ccc(-c2ccncc2)cc1 ZINC001140171870 1131671439 /nfs/dbraw/zinc/67/14/39/1131671439.db2.gz ZKNRDFZLRNGTDO-IBGZPJMESA-N 0 1 294.398 3.692 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCC23CCCCC3)cc1F ZINC001144647400 1131673295 /nfs/dbraw/zinc/67/32/95/1131673295.db2.gz FPCAOYKETSRVFE-UHFFFAOYSA-N 0 1 267.319 3.579 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc1F ZINC001144657941 1131676884 /nfs/dbraw/zinc/67/68/84/1131676884.db2.gz NXKDWAMGOMRHHX-NEPJUHHUSA-N 0 1 281.346 3.683 20 0 CHADMN CCCN(CCC)c1ccc(NCc2ncc[nH]2)cc1 ZINC000846057949 1131679494 /nfs/dbraw/zinc/67/94/94/1131679494.db2.gz NUWLVSRSYIAKTL-UHFFFAOYSA-N 0 1 272.396 3.648 20 0 CHADMN COc1ccccc1CN(C)Cc1c[nH]c2cccc(O)c12 ZINC001140233217 1131679889 /nfs/dbraw/zinc/67/98/89/1131679889.db2.gz JXMBSFMIGJMCLD-UHFFFAOYSA-N 0 1 296.370 3.514 20 0 CHADMN O=C([O-])c1ccsc1C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC001144677307 1131679888 /nfs/dbraw/zinc/67/98/88/1131679888.db2.gz LDCNXFPMFROMCV-AWEZNQCLSA-N 0 1 293.432 3.991 20 0 CHADMN O=C([O-])c1ccsc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC001144678390 1131681022 /nfs/dbraw/zinc/68/10/22/1131681022.db2.gz YRJZIQHQCOTNEZ-NSHDSACASA-N 0 1 293.413 3.845 20 0 CHADMN C/C(=C\C(=O)Nc1cc(Cl)c(O)cc1F)c1ccco1 ZINC001140285432 1131687434 /nfs/dbraw/zinc/68/74/34/1131687434.db2.gz PZCMLNKXAPUGAO-VMPITWQZSA-N 0 1 295.697 3.820 20 0 CHADMN O=C1CCN(Cc2ccc3c(c2)CCC3)[C@H]2CCCC[C@@H]12 ZINC001203019385 1131687795 /nfs/dbraw/zinc/68/77/95/1131687795.db2.gz PQMRPPXVKAHGPX-MSOLQXFVSA-N 0 1 283.415 3.509 20 0 CHADMN CN(Cc1cccc2cc[nH]c21)Cc1cccc2c1OCO2 ZINC001144721256 1131695017 /nfs/dbraw/zinc/69/50/17/1131695017.db2.gz DASDXNLENUBBGZ-UHFFFAOYSA-N 0 1 294.354 3.529 20 0 CHADMN Cc1ccc2[nH]nc(CN3CCC[C@H]3c3cccnc3)c2c1 ZINC001140328038 1131698032 /nfs/dbraw/zinc/69/80/32/1131698032.db2.gz QPKVIGUATCYIRJ-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1ccc2n[nH]c(CN3CCC[C@H]3c3cccnc3)c2c1 ZINC001140328038 1131698033 /nfs/dbraw/zinc/69/80/33/1131698033.db2.gz QPKVIGUATCYIRJ-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCC[C@H](C)[C@@H]1C ZINC001144754017 1131701564 /nfs/dbraw/zinc/70/15/64/1131701564.db2.gz AOGLIPUQOMTZED-QWRGUYRKSA-N 0 1 269.335 3.594 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCC[C@H](C)[C@H](C)C1 ZINC001144749012 1131701694 /nfs/dbraw/zinc/70/16/94/1131701694.db2.gz HLGFSTFKXVDGCA-NWDGAFQWSA-N 0 1 283.362 3.841 20 0 CHADMN C/C(=C/C[N@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1)C(=O)[O-] ZINC000846252082 1131703781 /nfs/dbraw/zinc/70/37/81/1131703781.db2.gz OOALKSLRJVENOP-POVPLDHISA-N 0 1 295.810 3.795 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc3scnc3c2)cn1 ZINC001144744119 1131704289 /nfs/dbraw/zinc/70/42/89/1131704289.db2.gz KXRSOROCDYBFQA-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN CC(C)C1(N[C@@H](C)c2nc(Br)cs2)CC1 ZINC000834811847 1131707845 /nfs/dbraw/zinc/70/78/45/1131707845.db2.gz XYLYWLGWHBMGRL-QMMMGPOBSA-N 0 1 289.242 3.745 20 0 CHADMN F[C@@H]1CCCN(Cc2ccc(-c3ccccn3)cc2)C1 ZINC001140378918 1131708794 /nfs/dbraw/zinc/70/87/94/1131708794.db2.gz GAUOZEHLZOWYCQ-MRXNPFEDSA-N 0 1 270.351 3.683 20 0 CHADMN C[C@@H]1CC[C@H](N[C@H]2CCn3ccnc32)c2sccc21 ZINC000834830838 1131709236 /nfs/dbraw/zinc/70/92/36/1131709236.db2.gz GYLJTMYKOQQDOS-WXHSDQCUSA-N 0 1 273.405 3.618 20 0 CHADMN CCc1ccc([C@@H](CC)N[C@H]2CCn3ccnc32)cc1 ZINC000834836840 1131709461 /nfs/dbraw/zinc/70/94/61/1131709461.db2.gz PMWMIJDETWYFFG-CVEARBPZSA-N 0 1 269.392 3.631 20 0 CHADMN CCc1ccc([C@H](CC)N[C@@H]2CCn3ccnc32)cc1 ZINC000834836843 1131709677 /nfs/dbraw/zinc/70/96/77/1131709677.db2.gz PMWMIJDETWYFFG-JKSUJKDBSA-N 0 1 269.392 3.631 20 0 CHADMN CSCCN(C)Cc1cnc(-c2cccc(F)c2)s1 ZINC001140420473 1131722919 /nfs/dbraw/zinc/72/29/19/1131722919.db2.gz DQWRAVGNNWUMTF-UHFFFAOYSA-N 0 1 296.436 3.744 20 0 CHADMN COc1ccc(C)cc1CN[C@H](C)c1ccc(Cl)nc1 ZINC000772952118 1131726721 /nfs/dbraw/zinc/72/67/21/1131726721.db2.gz QFBDZNOQVFSOLU-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1cnc2ccc(Cl)cn12 ZINC001140426341 1131730747 /nfs/dbraw/zinc/73/07/47/1131730747.db2.gz IRQACIUBOQUFGX-RYUDHWBXSA-N 0 1 277.799 3.751 20 0 CHADMN Fc1cc(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)cnc1Cl ZINC000846782670 1131734297 /nfs/dbraw/zinc/73/42/97/1131734297.db2.gz UGZXBSVKTJSBEA-KCXRBIIJSA-N 0 1 294.801 3.885 20 0 CHADMN Clc1cccc2[nH]cc(CN3CC4(CCC4)C3)c21 ZINC001140433039 1131734599 /nfs/dbraw/zinc/73/45/99/1131734599.db2.gz NPAHNPQJWZYNOM-UHFFFAOYSA-N 0 1 260.768 3.807 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cnc2ccc(Cl)cn12 ZINC001140432154 1131735283 /nfs/dbraw/zinc/73/52/83/1131735283.db2.gz YRZPNNOTVIAQIM-CYBMUJFWSA-N 0 1 277.799 3.752 20 0 CHADMN CN(Cc1ccc(Cl)cc1)CC1(Br)CC1 ZINC000846773146 1131738045 /nfs/dbraw/zinc/73/80/45/1131738045.db2.gz WSPKRHGKVZBUHE-UHFFFAOYSA-N 0 1 288.616 3.699 20 0 CHADMN C[C@H](Oc1[nH]c(=O)nc2cc[nH]c21)c1csc(Cl)c1 ZINC001227806359 1131744602 /nfs/dbraw/zinc/74/46/02/1131744602.db2.gz HVIVHQYTFLUHNJ-LURJTMIESA-N 0 1 295.751 3.518 20 0 CHADMN Cc1cccc(-c2nnc([C@H](C)N[C@H]3CCC3(C)C)o2)c1 ZINC000846958115 1131764518 /nfs/dbraw/zinc/76/45/18/1131764518.db2.gz CAGQCOLFBINJMZ-JSGCOSHPSA-N 0 1 285.391 3.884 20 0 CHADMN Cc1[nH]c(C[N@H+]2CCC[C@@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001140495780 1131768139 /nfs/dbraw/zinc/76/81/39/1131768139.db2.gz FNCBTBHDSXZTNV-MRXNPFEDSA-N 0 1 298.386 3.667 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCCC2(CCCC2)C1 ZINC001140499157 1131768329 /nfs/dbraw/zinc/76/83/29/1131768329.db2.gz IVTVTVGTSIWNHT-UHFFFAOYSA-N 0 1 273.376 3.541 20 0 CHADMN CC[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1C(=O)[O-] ZINC001140503966 1131771616 /nfs/dbraw/zinc/77/16/16/1131771616.db2.gz QNQGMNFUCBGZQZ-UHFFFAOYSA-N 0 1 287.334 3.546 20 0 CHADMN [O-]c1cccc2c(N3CCC4(CCCC4)C3)cc[nH+]c12 ZINC000795100759 1131777207 /nfs/dbraw/zinc/77/72/07/1131777207.db2.gz GDDGKIXRHCBVCN-UHFFFAOYSA-N 0 1 268.360 3.711 20 0 CHADMN CN(Cc1c(F)cc(F)cc1F)C1CCCCC1 ZINC001140529774 1131780473 /nfs/dbraw/zinc/78/04/73/1131780473.db2.gz WOMMMWXUAIDPLK-UHFFFAOYSA-N 0 1 257.299 3.868 20 0 CHADMN C[C@@]1(CF)CCN(Cc2cc(F)cc(Cl)c2)C1 ZINC001140536781 1131783674 /nfs/dbraw/zinc/78/36/74/1131783674.db2.gz KELWUWIUQIVQMI-ZDUSSCGKSA-N 0 1 259.727 3.661 20 0 CHADMN C[C@]1(CF)CCN(Cc2cc(F)cc(Cl)c2)C1 ZINC001140536779 1131784204 /nfs/dbraw/zinc/78/42/04/1131784204.db2.gz KELWUWIUQIVQMI-CYBMUJFWSA-N 0 1 259.727 3.661 20 0 CHADMN Fc1cc(Cl)cc(CN2CCC[C@H](F)CC2)c1 ZINC001140536566 1131784460 /nfs/dbraw/zinc/78/44/60/1131784460.db2.gz FLVPAGRQTSQVGM-LBPRGKRZSA-N 0 1 259.727 3.803 20 0 CHADMN Cc1cccnc1CNCc1cccc(OCC(C)C)c1 ZINC000126555761 1131785982 /nfs/dbraw/zinc/78/59/82/1131785982.db2.gz CLAAKEUYTIOVHG-UHFFFAOYSA-N 0 1 284.403 3.715 20 0 CHADMN Cc1ccsc1C(=O)Nc1cc2n[nH]c(C)c2c(F)c1 ZINC001147113037 1131811342 /nfs/dbraw/zinc/81/13/42/1131811342.db2.gz ADRVZYDYWXTOAM-UHFFFAOYSA-N 0 1 289.335 3.633 20 0 CHADMN CCCCN(CCC)Cc1cc(Cl)ncc1F ZINC001140607544 1131824944 /nfs/dbraw/zinc/82/49/44/1131824944.db2.gz NPBJUZUXIUYRTK-UHFFFAOYSA-N 0 1 258.768 3.886 20 0 CHADMN CC[C@@H](C)c1cccc(NC(=O)CCc2cc(C)[nH]n2)c1 ZINC001148024795 1131841856 /nfs/dbraw/zinc/84/18/56/1131841856.db2.gz ZOZMLJQOZODRCW-GFCCVEGCSA-N 0 1 285.391 3.803 20 0 CHADMN c1ccc2c(c1)CN(Cc1cccc3ccncc31)CCO2 ZINC001140645281 1131843090 /nfs/dbraw/zinc/84/30/90/1131843090.db2.gz OCSRCOUWQDZROH-UHFFFAOYSA-N 0 1 290.366 3.629 20 0 CHADMN Cc1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C)cc(C)c1O ZINC001140659108 1131853911 /nfs/dbraw/zinc/85/39/11/1131853911.db2.gz NQRUFMYUHHKCBJ-OAHLLOKOSA-N 0 1 281.399 3.956 20 0 CHADMN CO[C@@H](COc1ccc2nc(C)[nH]c2c1)c1ccccc1 ZINC001228327695 1131858911 /nfs/dbraw/zinc/85/89/11/1131858911.db2.gz UENBPDXKGWMFGB-KRWDZBQOSA-N 0 1 282.343 3.638 20 0 CHADMN Cc1nc2ccc(O[C@@H]3CCC(=O)c4ccccc43)cc2[nH]1 ZINC001228326074 1131859081 /nfs/dbraw/zinc/85/90/81/1131859081.db2.gz DTVVMDJFGLMZLD-GOSISDBHSA-N 0 1 292.338 3.968 20 0 CHADMN CCCCc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1 ZINC001149024729 1131878891 /nfs/dbraw/zinc/87/88/91/1131878891.db2.gz FHINYISHVXXMTH-UHFFFAOYSA-N 0 1 294.358 3.553 20 0 CHADMN Cc1csc([C@H](C)NCCO[C@H]2CCCC[C@H]2C)n1 ZINC000348106885 1131880701 /nfs/dbraw/zinc/88/07/01/1131880701.db2.gz HFOXUJWRBMORIP-XBFCOCLRSA-N 0 1 282.453 3.697 20 0 CHADMN Cc1ccc(-c2nc(CN(C)CC3CCC3)cs2)o1 ZINC000348164652 1131892079 /nfs/dbraw/zinc/89/20/79/1131892079.db2.gz HDPLUTVECYADAW-UHFFFAOYSA-N 0 1 276.405 3.943 20 0 CHADMN C[C@H](Oc1[nH]c(=O)ncc1Cl)c1ccc(Cl)cc1 ZINC001228481256 1131892769 /nfs/dbraw/zinc/89/27/69/1131892769.db2.gz YXMRHXZKUUAHFE-ZETCQYMHSA-N 0 1 285.130 3.629 20 0 CHADMN Cc1ccc(Cl)cc1[C@H](C)Oc1[nH]c(=O)ncc1Cl ZINC001228481285 1131893694 /nfs/dbraw/zinc/89/36/94/1131893694.db2.gz ZTBIWBWBPFWOQA-QMMMGPOBSA-N 0 1 299.157 3.937 20 0 CHADMN CC[C@H](Oc1nc(Cl)nc2nc[nH]c21)C1CCCCC1 ZINC001228507175 1131899066 /nfs/dbraw/zinc/89/90/66/1131899066.db2.gz IDRPHFVMHDAXSF-JTQLQIEISA-N 0 1 294.786 3.744 20 0 CHADMN CC/C=C(\C)[C@@H](CC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507076 1131899080 /nfs/dbraw/zinc/89/90/80/1131899080.db2.gz FMKIMELJZXBAHT-BNICOGTQSA-N 0 1 280.759 3.520 20 0 CHADMN CC(C)CCCN(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000348187010 1131901851 /nfs/dbraw/zinc/90/18/51/1131901851.db2.gz NXLVJXNSMCBHPU-AWEZNQCLSA-N 0 1 297.464 3.519 20 0 CHADMN CCc1ccc(CN2Cc3ccccc3C3(CC3)C2)cn1 ZINC000348187954 1131901976 /nfs/dbraw/zinc/90/19/76/1131901976.db2.gz QRAQLEJWTMILDJ-UHFFFAOYSA-N 0 1 278.399 3.691 20 0 CHADMN CCc1ccc(CN2CCC[C@@H](C(F)(F)F)[C@@H]2C)cn1 ZINC000348184523 1131902221 /nfs/dbraw/zinc/90/22/21/1131902221.db2.gz HNMARZYYPNTSMC-SMDDNHRTSA-N 0 1 286.341 3.807 20 0 CHADMN Cc1ccc(F)c(CN2CCSC[C@H]2C2CCC2)c1F ZINC001171345073 1131908335 /nfs/dbraw/zinc/90/83/35/1131908335.db2.gz VFVKVNZRTPJWGY-HNNXBMFYSA-N 0 1 297.414 3.991 20 0 CHADMN Fc1cc(F)c2c(c1)C[C@@H](N1CCC(F)(F)CC1)CC2 ZINC001171360501 1131912376 /nfs/dbraw/zinc/91/23/76/1131912376.db2.gz KCWPDHXMQSWRFT-LBPRGKRZSA-N 0 1 287.300 3.553 20 0 CHADMN Cc1ccc(C(F)(F)F)c(-c2noc(CNC(C)C)n2)c1 ZINC001247456246 1131914242 /nfs/dbraw/zinc/91/42/42/1131914242.db2.gz KPDFMQCNEBXHRM-UHFFFAOYSA-N 0 1 299.296 3.562 20 0 CHADMN Cc1cc(-c2noc(CNC(C)C)n2)cc(C(F)(F)F)c1 ZINC001247456184 1131914662 /nfs/dbraw/zinc/91/46/62/1131914662.db2.gz JBUSVOCSNKQRBD-UHFFFAOYSA-N 0 1 299.296 3.562 20 0 CHADMN Cc1ccc(CN(C)Cc2coc3ccccc23)cn1 ZINC001140784953 1131916170 /nfs/dbraw/zinc/91/61/70/1131916170.db2.gz GYEJAZSLUINZJJ-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN C[C@H](NCc1ccccc1N(C)C)c1ccnc(Cl)c1 ZINC000773005101 1131916241 /nfs/dbraw/zinc/91/62/41/1131916241.db2.gz OGDBJIFZVMKWDE-LBPRGKRZSA-N 0 1 289.810 3.652 20 0 CHADMN C[C@@H]1CCN(Cc2cc(O)cc(Cl)c2)CCC1(F)F ZINC001140787230 1131917253 /nfs/dbraw/zinc/91/72/53/1131917253.db2.gz BMZSTZOCHZLJEF-SNVBAGLBSA-N 0 1 289.753 3.913 20 0 CHADMN Cc1ccc(CN2CCC3(C[C@@H](F)CO3)CC2)c(Cl)c1 ZINC001140800769 1131923778 /nfs/dbraw/zinc/92/37/78/1131923778.db2.gz RTMKLLZDWGCEPA-CQSZACIVSA-N 0 1 297.801 3.741 20 0 CHADMN C[C@H](N[C@@H](C)[C@@H](O)c1c(F)cccc1Cl)c1ccco1 ZINC000773042228 1131926377 /nfs/dbraw/zinc/92/63/77/1131926377.db2.gz MIVDJKHSKRLQBA-AMJWSMQMSA-N 0 1 297.757 3.845 20 0 CHADMN CCCCC[C@@H](C)NCc1nnc(C(C)(C)C)s1 ZINC000773040684 1131928266 /nfs/dbraw/zinc/92/82/66/1131928266.db2.gz LIOLMRVTCLIBIV-LLVKDONJSA-N 0 1 269.458 3.894 20 0 CHADMN COc1cc(F)c(CN2CC[C@H]3CCC[C@@H]3C2)c(F)c1 ZINC001140824789 1131937164 /nfs/dbraw/zinc/93/71/64/1131937164.db2.gz IZJRBCPJSJGCRA-VXGBXAGGSA-N 0 1 281.346 3.595 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1cccc(F)n1 ZINC000773086506 1131941614 /nfs/dbraw/zinc/94/16/14/1131941614.db2.gz JSFLXUXJPJHSQD-PIGZYNQJSA-N 0 1 288.341 3.773 20 0 CHADMN C[N@@H+](CCC1CC1)Cc1cc(Cl)c([O-])c(Cl)c1 ZINC001140833614 1131942178 /nfs/dbraw/zinc/94/21/78/1131942178.db2.gz YWKOWNVAMNCWFP-UHFFFAOYSA-N 0 1 274.191 3.931 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)N[C@H](C)c1ccc[nH]1 ZINC000773117174 1131949508 /nfs/dbraw/zinc/94/95/08/1131949508.db2.gz KRGWXVJGADKMQN-CHWSQXEVSA-N 0 1 258.365 3.744 20 0 CHADMN Cc1c[nH]c(CN2C[C@@H]3C[C@H](C2)c2ccccc23)c1C ZINC001140861437 1131950112 /nfs/dbraw/zinc/95/01/12/1131950112.db2.gz HFBYOWPIGNFPST-GASCZTMLSA-N 0 1 266.388 3.718 20 0 CHADMN CC(C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1)=C1CCCC1 ZINC000773142975 1131957885 /nfs/dbraw/zinc/95/78/85/1131957885.db2.gz KDULCJYKKOCDBA-UHFFFAOYSA-N 0 1 289.423 3.556 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2cnccc2C(F)(F)F)C1 ZINC001140919108 1131964160 /nfs/dbraw/zinc/96/41/60/1131964160.db2.gz IZHDFJBRIZAQRA-GHMZBOCLSA-N 0 1 272.314 3.578 20 0 CHADMN CSc1ccccc1[C@@H]1CCCN1Cc1cc(C)n[nH]1 ZINC001203080909 1131967988 /nfs/dbraw/zinc/96/79/88/1131967988.db2.gz HATPWBUQCDPJOR-HNNXBMFYSA-N 0 1 287.432 3.777 20 0 CHADMN CSc1ccccc1[C@@H]1CCCN1Cc1cc(C)[nH]n1 ZINC001203080909 1131967992 /nfs/dbraw/zinc/96/79/92/1131967992.db2.gz HATPWBUQCDPJOR-HNNXBMFYSA-N 0 1 287.432 3.777 20 0 CHADMN CC1CN(Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001140939951 1131968184 /nfs/dbraw/zinc/96/81/84/1131968184.db2.gz YJRCHXBJTRDJIZ-UHFFFAOYSA-N 0 1 260.768 3.582 20 0 CHADMN Cc1cc(CN2CCC(n3ccc4ccccc43)CC2)[nH]n1 ZINC001203081564 1131970452 /nfs/dbraw/zinc/97/04/52/1131970452.db2.gz BYIHDXVREFWSOZ-UHFFFAOYSA-N 0 1 294.402 3.510 20 0 CHADMN Cc1ccncc1CN1CCCC[C@H]1c1cccnc1 ZINC001141036239 1131991134 /nfs/dbraw/zinc/99/11/34/1131991134.db2.gz ZFEIQVHJKXAPBN-KRWDZBQOSA-N 0 1 267.376 3.512 20 0 CHADMN COc1ccc([C@@H](Oc2nnc3c[nH]ccc2-3)C(C)C)cc1 ZINC001228988872 1131991865 /nfs/dbraw/zinc/99/18/65/1131991865.db2.gz BIODWGKOXNHKGX-INIZCTEOSA-N 0 1 297.358 3.743 20 0 CHADMN Cc1cc(COc2nnc3c[nH]ccc2-3)ccc1OC(C)C ZINC001228995806 1131995332 /nfs/dbraw/zinc/99/53/32/1131995332.db2.gz YXJODGDLNBNSQT-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccns1)c1ccc(OC)cc1 ZINC000715920039 1131996738 /nfs/dbraw/zinc/99/67/38/1131996738.db2.gz LGOPFFCCWVZYFV-SMDDNHRTSA-N 0 1 276.405 3.954 20 0 CHADMN Cc1cccc(CN2CCC3(CC3)C2)c1Br ZINC001141089116 1132010238 /nfs/dbraw/zinc/01/02/38/1132010238.db2.gz JFOHMZKBUYFZPG-UHFFFAOYSA-N 0 1 280.209 3.743 20 0 CHADMN CN(Cc1ccncn1)Cc1ccccc1-c1cccs1 ZINC001141097492 1132015746 /nfs/dbraw/zinc/01/57/46/1132015746.db2.gz NMSQCPJIHPEQRN-UHFFFAOYSA-N 0 1 295.411 3.837 20 0 CHADMN CN(Cc1ccccc1-c1cccs1)C1(C)COC1 ZINC001141096642 1132015900 /nfs/dbraw/zinc/01/59/00/1132015900.db2.gz LYERSOCEBRXFSM-UHFFFAOYSA-N 0 1 273.401 3.636 20 0 CHADMN c1nc(CN2CCC[C@H](CCc3ccccc3)C2)co1 ZINC001141131806 1132024512 /nfs/dbraw/zinc/02/45/12/1132024512.db2.gz LKZOEJHTNJJMQL-MRXNPFEDSA-N 0 1 270.376 3.519 20 0 CHADMN COc1ccc2nccc(CN3CCCC[C@@H](F)C3)c2c1 ZINC001141146903 1132028668 /nfs/dbraw/zinc/02/86/68/1132028668.db2.gz LETSRJFIWJTMGX-CQSZACIVSA-N 0 1 288.366 3.567 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)c(F)c1 ZINC001141191486 1132040141 /nfs/dbraw/zinc/04/01/41/1132040141.db2.gz MMJRTJSASUKECZ-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2c2cccnc2)c(F)c1 ZINC001141191486 1132040145 /nfs/dbraw/zinc/04/01/45/1132040145.db2.gz MMJRTJSASUKECZ-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(=O)c3ccccc3)C2)c(F)c1 ZINC001141195298 1132040674 /nfs/dbraw/zinc/04/06/74/1132040674.db2.gz ILWRMOPLSNZDDX-KRWDZBQOSA-N 0 1 297.373 3.839 20 0 CHADMN CC1(C)CN(Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001141205759 1132042717 /nfs/dbraw/zinc/04/27/17/1132042717.db2.gz LSWZRAFVSYMWLN-UHFFFAOYSA-N 0 1 270.351 3.730 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)nc1 ZINC001141215222 1132045962 /nfs/dbraw/zinc/04/59/62/1132045962.db2.gz ZWMFBTSODJFZFW-UHFFFAOYSA-N 0 1 280.293 3.829 20 0 CHADMN CCc1ccccc1CN1CCO[C@@H](Cc2ccccc2)C1 ZINC001141227896 1132049981 /nfs/dbraw/zinc/04/99/81/1132049981.db2.gz OVVITUYALHHOLJ-FQEVSTJZSA-N 0 1 295.426 3.693 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)ccc1Cl ZINC001141233840 1132053872 /nfs/dbraw/zinc/05/38/72/1132053872.db2.gz XZHCJXJVKZQTEF-DUVNUKRYSA-N 0 1 279.811 3.648 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)ccc1Cl ZINC001141233340 1132055511 /nfs/dbraw/zinc/05/55/11/1132055511.db2.gz QNXALKPYDQKGAQ-HOCLYGCPSA-N 0 1 279.811 3.649 20 0 CHADMN Cc1cc(CN2CC[C@@H]3CCCO[C@H]3C2)ccc1Cl ZINC001141233340 1132055520 /nfs/dbraw/zinc/05/55/20/1132055520.db2.gz QNXALKPYDQKGAQ-HOCLYGCPSA-N 0 1 279.811 3.649 20 0 CHADMN CC[N@@H+]1CCC[C@H](Oc2cc([O-])c(Cl)cc2Cl)C1 ZINC001229406008 1132063560 /nfs/dbraw/zinc/06/35/60/1132063560.db2.gz HLQKQWVRKSBBSA-VIFPVBQESA-N 0 1 290.190 3.562 20 0 CHADMN CC[N@H+]1CCC[C@H](Oc2cc([O-])c(Cl)cc2Cl)C1 ZINC001229406008 1132063570 /nfs/dbraw/zinc/06/35/70/1132063570.db2.gz HLQKQWVRKSBBSA-VIFPVBQESA-N 0 1 290.190 3.562 20 0 CHADMN Cc1ccc(CC[C@H](C)N2CCCCC23COC3)cc1 ZINC001171680773 1132078773 /nfs/dbraw/zinc/07/87/73/1132078773.db2.gz RXESPGGYHUEISC-INIZCTEOSA-N 0 1 273.420 3.571 20 0 CHADMN COc1ccsc1C[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001141329202 1132088223 /nfs/dbraw/zinc/08/82/23/1132088223.db2.gz KHVVWEHBWDTZFK-AWEZNQCLSA-N 0 1 295.448 3.538 20 0 CHADMN COc1ccsc1CN1CCOC[C@H]1C1CCCCC1 ZINC001141329202 1132088231 /nfs/dbraw/zinc/08/82/31/1132088231.db2.gz KHVVWEHBWDTZFK-AWEZNQCLSA-N 0 1 295.448 3.538 20 0 CHADMN CC[C@@H]1COC(C)(C)CN1Cc1cccc(OC(F)F)c1 ZINC001171773441 1132094182 /nfs/dbraw/zinc/09/41/82/1132094182.db2.gz WERSGPNEJMJSEL-CYBMUJFWSA-N 0 1 299.361 3.677 20 0 CHADMN O=C([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@H](F)C3)cc2)c1 ZINC001141350729 1132096048 /nfs/dbraw/zinc/09/60/48/1132096048.db2.gz NPAGYMIERURAAZ-KRWDZBQOSA-N 0 1 299.345 3.596 20 0 CHADMN FC[C@@H](N[C@@H]1Cc2cccc(F)c2C1)c1ccccc1 ZINC001171778380 1132096036 /nfs/dbraw/zinc/09/60/36/1132096036.db2.gz VTKCUAHELFKYEZ-RHSMWYFYSA-N 0 1 273.326 3.593 20 0 CHADMN O=C([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@@H](F)C3)cc2)c1 ZINC001141350730 1132097191 /nfs/dbraw/zinc/09/71/91/1132097191.db2.gz NPAGYMIERURAAZ-QGZVFWFLSA-N 0 1 299.345 3.596 20 0 CHADMN Cc1cc([S-])ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001229635552 1132099303 /nfs/dbraw/zinc/09/93/03/1132099303.db2.gz ZMEHFBZBLRVULE-MRXNPFEDSA-N 0 1 299.439 3.937 20 0 CHADMN Cc1ncc(Br)cc1CN1[C@H](C)CCC[C@H]1C ZINC001248778108 1132105543 /nfs/dbraw/zinc/10/55/43/1132105543.db2.gz LXEMKVSEUGULFY-GHMZBOCLSA-N 0 1 297.240 3.915 20 0 CHADMN COc1cccc2c(OC3CN(C(C)(C)C)C3)cccc12 ZINC001229812122 1132120685 /nfs/dbraw/zinc/12/06/85/1132120685.db2.gz XVEVELDPKOKNLQ-UHFFFAOYSA-N 0 1 285.387 3.710 20 0 CHADMN Cc1ccc(CN2CCCCC2)c(Br)c1 ZINC000258173531 1132121562 /nfs/dbraw/zinc/12/15/62/1132121562.db2.gz RVTSPQWCUFWEON-UHFFFAOYSA-N 0 1 268.198 3.743 20 0 CHADMN FC(F)COc1ccc(Nc2ccc3nccn3c2)cc1 ZINC001213301794 1132123333 /nfs/dbraw/zinc/12/33/33/1132123333.db2.gz ZRFRVVITEZTMFV-UHFFFAOYSA-N 0 1 289.285 3.722 20 0 CHADMN CN(C)Cc1cc(F)ccc1O[C@@H]1CCc2ccccc21 ZINC001229853316 1132125818 /nfs/dbraw/zinc/12/58/18/1132125818.db2.gz GRGCLFUDTDGWLV-GOSISDBHSA-N 0 1 285.362 3.954 20 0 CHADMN C[C@@H](N[C@@H]1CSc2ccccc2C1)c1cscn1 ZINC001172183040 1132135580 /nfs/dbraw/zinc/13/55/80/1132135580.db2.gz BAJQLXLBIKGPEN-PWSUYJOCSA-N 0 1 276.430 3.511 20 0 CHADMN Cc1csc([C@H](C)N[C@H]2CSc3ccccc3C2)n1 ZINC001172182977 1132136066 /nfs/dbraw/zinc/13/60/66/1132136066.db2.gz ASPRJQOXYAOTRC-WCQYABFASA-N 0 1 290.457 3.819 20 0 CHADMN Cc1ccc(CN(C)C[C@H]2CC2(Cl)Cl)cc1 ZINC000838483023 1132138735 /nfs/dbraw/zinc/13/87/35/1132138735.db2.gz XGTPUYBGFPHTKT-GFCCVEGCSA-N 0 1 258.192 3.621 20 0 CHADMN CC[C@H](Oc1nc[nH]c(=O)c1Cl)c1ccccc1F ZINC001230018326 1132145986 /nfs/dbraw/zinc/14/59/86/1132145986.db2.gz PPYDOIBRSJKZCZ-JTQLQIEISA-N 0 1 282.702 3.505 20 0 CHADMN CCCCN(C(=O)CN(CC)C1CC1)[C@H]1CCC[C@@H](C)C1 ZINC001141522696 1132149005 /nfs/dbraw/zinc/14/90/05/1132149005.db2.gz PSMKUPBXRIKIBT-WBVHZDCISA-N 0 1 294.483 3.678 20 0 CHADMN CC[C@H](NCc1cnc(C2CC2)nc1)c1ccccc1OC ZINC000838897235 1132156796 /nfs/dbraw/zinc/15/67/96/1132156796.db2.gz CJFCGHLQMGVGDW-INIZCTEOSA-N 0 1 297.402 3.604 20 0 CHADMN CC1(C)C[C@H](N2CCC[C@@H]2c2cc(F)ccc2F)CO1 ZINC001172286924 1132163630 /nfs/dbraw/zinc/16/36/30/1132163630.db2.gz NWELWOSHOANGTP-SWLSCSKDSA-N 0 1 281.346 3.669 20 0 CHADMN CC1(C)C[C@H](N2CCC[C@H]2c2ccc(F)cc2F)CO1 ZINC001172293887 1132165644 /nfs/dbraw/zinc/16/56/44/1132165644.db2.gz TYYVUEXIYINDRO-WFASDCNBSA-N 0 1 281.346 3.669 20 0 CHADMN CC[C@@H](C)OCC[C@H](C)N(C)Cc1cccc(F)c1F ZINC001172348202 1132181809 /nfs/dbraw/zinc/18/18/09/1132181809.db2.gz PBGAVOFPTADANM-QWHCGFSZSA-N 0 1 285.378 3.990 20 0 CHADMN CC[C@](C)(NCCOc1ccccc1C)c1nccs1 ZINC000839520145 1132219501 /nfs/dbraw/zinc/21/95/01/1132219501.db2.gz LTMJROZIXPICHE-INIZCTEOSA-N 0 1 290.432 3.745 20 0 CHADMN Fc1ccc2nc(C[N@@H+]3CCC[C@H](C(F)F)C3)ccc2c1 ZINC001141648890 1132223430 /nfs/dbraw/zinc/22/34/30/1132223430.db2.gz JZQGPMFUAXOITN-LBPRGKRZSA-N 0 1 294.320 3.851 20 0 CHADMN C[C@H](Oc1nncc2n[nH]cc21)c1ccc2ccccc2c1 ZINC001230895946 1132225549 /nfs/dbraw/zinc/22/55/49/1132225549.db2.gz MFIYWWHDMBZPRW-NSHDSACASA-N 0 1 290.326 3.646 20 0 CHADMN CC(C)COCC[C@H](C)N1CCCC(F)(F)[C@@H](F)C1 ZINC001172473374 1132226730 /nfs/dbraw/zinc/22/67/30/1132226730.db2.gz LSDZVGOJJITJQR-STQMWFEESA-N 0 1 281.362 3.507 20 0 CHADMN CCN(Cc1cccnc1Cl)C1CC(C)(C)C1 ZINC000839663984 1132228897 /nfs/dbraw/zinc/22/88/97/1132228897.db2.gz NETTZWUTSVLZOX-UHFFFAOYSA-N 0 1 252.789 3.746 20 0 CHADMN C[C@H](COc1ccccc1)Oc1cc2[nH]ncc2c(F)c1 ZINC001230930312 1132230862 /nfs/dbraw/zinc/23/08/62/1132230862.db2.gz BODSFNIBZGNLMB-LLVKDONJSA-N 0 1 286.306 3.548 20 0 CHADMN C[C@@H](Oc1cc2[nH]ncc2c(F)c1)c1cccnc1Cl ZINC001230931158 1132231366 /nfs/dbraw/zinc/23/13/66/1132231366.db2.gz LJKPXQRXCXWCFZ-MRVPVSSYSA-N 0 1 291.713 3.890 20 0 CHADMN Cc1cnc(F)c([C@H](C)Oc2cc3[nH]ncc3c(F)c2)c1 ZINC001230936247 1132232364 /nfs/dbraw/zinc/23/23/64/1132232364.db2.gz UIIPSTNMHPBENS-VIFPVBQESA-N 0 1 289.285 3.685 20 0 CHADMN CC(C)OCC[C@H](C)N1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001172455765 1132238572 /nfs/dbraw/zinc/23/85/72/1132238572.db2.gz AVDMYHXWMSOBSB-XYJFISCASA-N 0 1 291.435 3.652 20 0 CHADMN CCC[C@@H](C)[C@@H](CC)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231048666 1132247917 /nfs/dbraw/zinc/24/79/17/1132247917.db2.gz QZDQGTAUTZDQAC-PSASIEDQSA-N 0 1 282.775 3.600 20 0 CHADMN Cc1nc[nH]c1-c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC001212668671 1132264804 /nfs/dbraw/zinc/26/48/04/1132264804.db2.gz KNCOMMZUBHLNAJ-UHFFFAOYSA-N 0 1 295.129 3.742 20 0 CHADMN Cc1nc[nH]c1-c1nc(-c2ccc(F)c3ccccc23)no1 ZINC001212668942 1132265983 /nfs/dbraw/zinc/26/59/83/1132265983.db2.gz YFUBRLAQMAEKOM-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN CC[C@H]1CCCN(Cc2c(F)ccc(F)c2OC)C1 ZINC001231414512 1132291515 /nfs/dbraw/zinc/29/15/15/1132291515.db2.gz WWEOEASPAJNRJK-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN F[C@H]1CCN(Cc2ccc(-c3cccs3)cc2)C1 ZINC001231429720 1132293976 /nfs/dbraw/zinc/29/39/76/1132293976.db2.gz WOBOEMBURVHMKQ-AWEZNQCLSA-N 0 1 261.365 3.959 20 0 CHADMN Cc1cc(C)c(CN2CC[C@](C)(F)[C@@H](F)C2)cc1C ZINC001231482368 1132298011 /nfs/dbraw/zinc/29/80/11/1132298011.db2.gz KGRMHHDJEMMCSK-HOTGVXAUSA-N 0 1 267.363 3.884 20 0 CHADMN Cc1cc(C)c(CN2CCc3ccncc3C2)cc1C ZINC001231484183 1132301578 /nfs/dbraw/zinc/30/15/78/1132301578.db2.gz IAAFWBZECKMFDU-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN CCn1ccnc1NCc1ccc(CSC(F)F)o1 ZINC000840887546 1132303115 /nfs/dbraw/zinc/30/31/15/1132303115.db2.gz ZNGBUWJGFDRQCA-UHFFFAOYSA-N 0 1 287.335 3.564 20 0 CHADMN COc1cc(CNc2nccn2C2CC2)cc2ccccc21 ZINC000840887298 1132304527 /nfs/dbraw/zinc/30/45/27/1132304527.db2.gz WGHOBMIXCCDACN-UHFFFAOYSA-N 0 1 293.370 3.992 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2csc3ccccc32)nn1 ZINC000840894096 1132306336 /nfs/dbraw/zinc/30/63/36/1132306336.db2.gz OBXKMQAWCKWDQN-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN CCc1ccc(CN2CCc3cc(O)ccc3C2)s1 ZINC001231501044 1132306825 /nfs/dbraw/zinc/30/68/25/1132306825.db2.gz ZGXQDALGLNGFDQ-UHFFFAOYSA-N 0 1 273.401 3.574 20 0 CHADMN CC(C)OC(=O)CC[C@@H](C)N(C)Cc1ccccc1Cl ZINC001172758543 1132309617 /nfs/dbraw/zinc/30/96/17/1132309617.db2.gz ATWPEHAPEIISGC-CYBMUJFWSA-N 0 1 297.826 3.892 20 0 CHADMN C[N@@H+](Cc1ccc([O-])c(C(F)(F)F)c1)C[C@H]1CC1(C)C ZINC001231523499 1132313930 /nfs/dbraw/zinc/31/39/30/1132313930.db2.gz YPZIONJQCBXHIS-LLVKDONJSA-N 0 1 287.325 3.889 20 0 CHADMN C[N@H+](Cc1ccc([O-])c(C(F)(F)F)c1)C[C@H]1CC1(C)C ZINC001231523499 1132313935 /nfs/dbraw/zinc/31/39/35/1132313935.db2.gz YPZIONJQCBXHIS-LLVKDONJSA-N 0 1 287.325 3.889 20 0 CHADMN COc1cc(C)c(CN2C[C@@H](C)[C@@H](F)C2)cc1C(C)C ZINC001231624542 1132329207 /nfs/dbraw/zinc/32/92/07/1132329207.db2.gz IRZGIEWGCNJLIM-CJNGLKHVSA-N 0 1 279.399 3.917 20 0 CHADMN C[C@@H]1CN(Cc2coc(-c3ccccc3)n2)C2(CC2)C1 ZINC001231632579 1132330759 /nfs/dbraw/zinc/33/07/59/1132330759.db2.gz ZJTNXEDUNKKPKB-ZDUSSCGKSA-N 0 1 268.360 3.716 20 0 CHADMN CCc1ccc(CN2Cc3ccccc3C(C)(C)C2)nc1 ZINC001231642879 1132330853 /nfs/dbraw/zinc/33/08/53/1132330853.db2.gz RCHKFIXMNPXTEL-UHFFFAOYSA-N 0 1 280.415 3.937 20 0 CHADMN C[C@H](Cc1ccc(F)cc1Cl)N1CC2(C1)CCOCC2 ZINC001172866613 1132331447 /nfs/dbraw/zinc/33/14/47/1132331447.db2.gz IEDCZINGQSTESP-GFCCVEGCSA-N 0 1 297.801 3.523 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001142188577 1132338352 /nfs/dbraw/zinc/33/83/52/1132338352.db2.gz YVGYYFITTMYXQH-DOMZBBRYSA-N 0 1 293.382 3.574 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN1CCC[C@@H](C(F)F)C1 ZINC001142178451 1132339122 /nfs/dbraw/zinc/33/91/22/1132339122.db2.gz WCVYWARPVXSTRL-CYBMUJFWSA-N 0 1 299.409 3.732 20 0 CHADMN O=C([O-])c1ccccc1-c1ccccc1C[N@H+]1CC[C@@H](F)C1 ZINC001231675923 1132343353 /nfs/dbraw/zinc/34/33/53/1132343353.db2.gz UDSOROCSYWLULU-CQSZACIVSA-N 0 1 299.345 3.596 20 0 CHADMN C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001172859091 1132343841 /nfs/dbraw/zinc/34/38/41/1132343841.db2.gz YCLVWZAAFLUNGL-SDDRHHMPSA-N 0 1 267.775 3.894 20 0 CHADMN c1sc(CN2CC3CC(C3)C2)nc1-c1ccccc1 ZINC001231684646 1132344463 /nfs/dbraw/zinc/34/44/63/1132344463.db2.gz KMRACDSBOXQXHA-UHFFFAOYSA-N 0 1 270.401 3.652 20 0 CHADMN CCO[C@@H]1CCN([C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172862757 1132345199 /nfs/dbraw/zinc/34/51/99/1132345199.db2.gz TWOOLZIVGIWGCI-NWDGAFQWSA-N 0 1 285.790 3.521 20 0 CHADMN C[C@H]1C[N@H+](Cc2ccc(Cl)c([O-])c2)CCC[C@@H]1C ZINC001231733279 1132350589 /nfs/dbraw/zinc/35/05/89/1132350589.db2.gz QFHVMCYAQWXOQF-RYUDHWBXSA-N 0 1 267.800 3.914 20 0 CHADMN CN[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)C(C)C ZINC001249000520 1132351664 /nfs/dbraw/zinc/35/16/64/1132351664.db2.gz YCRWTPQFQMVHOL-NSHDSACASA-N 0 1 299.296 3.672 20 0 CHADMN CCC[N@@H+](C)Cc1cc(Cl)c([O-])c(Br)c1 ZINC001231746840 1132354973 /nfs/dbraw/zinc/35/49/73/1132354973.db2.gz ZPFUSAIWBGMBPP-UHFFFAOYSA-N 0 1 292.604 3.650 20 0 CHADMN CCCCc1ccc(C[N@H+]2CCCC(=O)[C@@H](C)C2)cc1 ZINC001231780731 1132356152 /nfs/dbraw/zinc/35/61/52/1132356152.db2.gz YLUVIJFKEDNZQK-HNNXBMFYSA-N 0 1 273.420 3.830 20 0 CHADMN CCCCc1ccc(CN2CCCC(=O)[C@@H](C)C2)cc1 ZINC001231780731 1132356158 /nfs/dbraw/zinc/35/61/58/1132356158.db2.gz YLUVIJFKEDNZQK-HNNXBMFYSA-N 0 1 273.420 3.830 20 0 CHADMN CCCCc1ccc(CN2CCCCC23COC3)cc1 ZINC001231781027 1132358865 /nfs/dbraw/zinc/35/88/65/1132358865.db2.gz ATPJYDQMHQUMCZ-UHFFFAOYSA-N 0 1 273.420 3.784 20 0 CHADMN CSc1ccccc1CN(C)C1CC(F)(F)C1 ZINC001231784218 1132359241 /nfs/dbraw/zinc/35/92/41/1132359241.db2.gz SKNAVFKRVDQGQB-UHFFFAOYSA-N 0 1 257.349 3.638 20 0 CHADMN Cc1ccccc1-c1ccccc1CN1C[C@@H]2C[C@H]1CO2 ZINC001231809601 1132369759 /nfs/dbraw/zinc/36/97/59/1132369759.db2.gz FVZVNMAHSISNET-IRXDYDNUSA-N 0 1 279.383 3.635 20 0 CHADMN CC1(C)COCCN1Cc1ccccc1-c1ccccc1 ZINC001142339472 1132370049 /nfs/dbraw/zinc/37/00/49/1132370049.db2.gz USVVKRBNBYIUSR-UHFFFAOYSA-N 0 1 281.399 3.964 20 0 CHADMN C[C@@H]1COCCN1Cc1ccccc1-c1ccccc1 ZINC001142330982 1132371014 /nfs/dbraw/zinc/37/10/14/1132371014.db2.gz CHCKNDFENIUEEU-OAHLLOKOSA-N 0 1 267.372 3.574 20 0 CHADMN Cc1cc(C)nc(Nc2ccc(Cn3ccnc3)cc2)c1 ZINC001212692209 1132372199 /nfs/dbraw/zinc/37/21/99/1132372199.db2.gz HJQXISRSBQBACD-UHFFFAOYSA-N 0 1 278.359 3.687 20 0 CHADMN Fc1ccc(-c2ccccc2CN2CCOC3(CC3)C2)cc1 ZINC001231824783 1132373431 /nfs/dbraw/zinc/37/34/31/1132373431.db2.gz IZCOZIUQKIUEEF-UHFFFAOYSA-N 0 1 297.373 3.858 20 0 CHADMN CN(Cc1ccccc1-c1ccc(F)cc1)C1(C)COC1 ZINC001231824793 1132374106 /nfs/dbraw/zinc/37/41/06/1132374106.db2.gz JELIROQDIHYLSU-UHFFFAOYSA-N 0 1 285.362 3.713 20 0 CHADMN Cc1csc2sc(CN3CC4(CC(O)C4)C3)c(C)c12 ZINC001231827671 1132374359 /nfs/dbraw/zinc/37/43/59/1132374359.db2.gz AETTYJLWIIUEKY-UHFFFAOYSA-N 0 1 293.457 3.536 20 0 CHADMN FC1(F)CCCC[N@H+](C2CCC3(CCOCC3)CC2)C1 ZINC001173043764 1132378817 /nfs/dbraw/zinc/37/88/17/1132378817.db2.gz RMRSDILYSFYNSC-UHFFFAOYSA-N 0 1 287.394 3.847 20 0 CHADMN FC1(F)CCCCN(C2CCC3(CCOCC3)CC2)C1 ZINC001173043764 1132378825 /nfs/dbraw/zinc/37/88/25/1132378825.db2.gz RMRSDILYSFYNSC-UHFFFAOYSA-N 0 1 287.394 3.847 20 0 CHADMN Cc1ccc2ccccc2c1CN1CCC(=O)C(C)(C)C1 ZINC001142383667 1132379352 /nfs/dbraw/zinc/37/93/52/1132379352.db2.gz NJZTXHSHVDLEMW-UHFFFAOYSA-N 0 1 281.399 3.949 20 0 CHADMN CCCOc1ncccc1CN(C)[C@H]1CCc2ccccc21 ZINC001231865281 1132380805 /nfs/dbraw/zinc/38/08/05/1132380805.db2.gz LALXQIYGNGAHFN-SFHVURJKSA-N 0 1 296.414 3.990 20 0 CHADMN CCCOc1ncccc1CN(C)CCc1cccs1 ZINC001231862831 1132381464 /nfs/dbraw/zinc/38/14/64/1132381464.db2.gz IQROTFLFBRXTPT-UHFFFAOYSA-N 0 1 290.432 3.606 20 0 CHADMN CCCOC1CCC(N[C@H]2CCCCC2(F)F)CC1 ZINC001173090618 1132384672 /nfs/dbraw/zinc/38/46/72/1132384672.db2.gz ZWLQQDQYUQIMRQ-RUXDESIVSA-N 0 1 275.383 3.892 20 0 CHADMN CSc1ncc(CN2CCC[C@H]3CCC[C@H]32)c(Cl)n1 ZINC001142431777 1132388573 /nfs/dbraw/zinc/38/85/73/1132388573.db2.gz KIROIRWBVKYJCR-ZYHUDNBSSA-N 0 1 297.855 3.616 20 0 CHADMN CCCN(CCC)Cc1nc(Br)ccc1F ZINC001231946552 1132402438 /nfs/dbraw/zinc/40/24/38/1132402438.db2.gz WVDFFBSRALNLHE-UHFFFAOYSA-N 0 1 289.192 3.605 20 0 CHADMN Cc1ccnc(CNC2CCC3(CCCCC3)CC2)n1 ZINC001173117410 1132397078 /nfs/dbraw/zinc/39/70/78/1132397078.db2.gz KLDMNYIMSSTNDX-UHFFFAOYSA-N 0 1 273.424 3.768 20 0 CHADMN Fc1cnc(Br)cc1CN1CCCCC12CC2 ZINC001231917327 1132398332 /nfs/dbraw/zinc/39/83/32/1132398332.db2.gz RZAITEXYTKBVJV-UHFFFAOYSA-N 0 1 299.187 3.502 20 0 CHADMN Cc1cc(CN2CCC(c3ccccc3)CC2)cnc1F ZINC001231924915 1132399462 /nfs/dbraw/zinc/39/94/62/1132399462.db2.gz OLIAMSWXAXZVGR-UHFFFAOYSA-N 0 1 284.378 3.909 20 0 CHADMN F[C@H]1CCC2(C1)CCN(Cc1ncccc1Cl)CC2 ZINC001231958717 1132403167 /nfs/dbraw/zinc/40/31/67/1132403167.db2.gz AEPJLUDDBFQERH-LBPRGKRZSA-N 0 1 282.790 3.839 20 0 CHADMN Cc1cc(F)ncc1CN1Cc2ccccc2[C@H](C)C1 ZINC001231980322 1132406058 /nfs/dbraw/zinc/40/60/58/1132406058.db2.gz SLPPMQGCAVGUHX-CYBMUJFWSA-N 0 1 270.351 3.648 20 0 CHADMN Cc1csc(Nc2cccc(N3CCN(C)CC3)c2)c1 ZINC001212711659 1132407974 /nfs/dbraw/zinc/40/79/74/1132407974.db2.gz LVWALWNCROPFDF-UHFFFAOYSA-N 0 1 287.432 3.552 20 0 CHADMN Cc1cc(CN(C)Cc2cccc(Cl)c2)cc(C)n1 ZINC001232000744 1132409307 /nfs/dbraw/zinc/40/93/07/1132409307.db2.gz VAYLTPZJJFUUJF-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CC(=O)[C@@H]1CCCCN1Cc1ccc(C(F)(F)F)cc1C ZINC001232005604 1132409316 /nfs/dbraw/zinc/40/93/16/1132409316.db2.gz OYDMTZVPUBXFIS-HNNXBMFYSA-N 0 1 299.336 3.957 20 0 CHADMN CC(C)N(C)CC(=O)Nc1ccc(C2CC2)c2ccccc12 ZINC001142587802 1132412022 /nfs/dbraw/zinc/41/20/22/1132412022.db2.gz DQMHCBYLQYSVTE-UHFFFAOYSA-N 0 1 296.414 3.996 20 0 CHADMN CC[C@@H]1CCC[N@H+]1Cc1ncc(Br)cc1C ZINC001232047709 1132414513 /nfs/dbraw/zinc/41/45/13/1132414513.db2.gz AUBHLLSNGBKXTC-GFCCVEGCSA-N 0 1 283.213 3.527 20 0 CHADMN CC[C@@H]1CCCN1Cc1ncc(Br)cc1C ZINC001232047709 1132414523 /nfs/dbraw/zinc/41/45/23/1132414523.db2.gz AUBHLLSNGBKXTC-GFCCVEGCSA-N 0 1 283.213 3.527 20 0 CHADMN Cc1cc(C)cc([C@@H]2CCC[N@H+]2Cc2cncc(O)c2)c1 ZINC001232043447 1132415534 /nfs/dbraw/zinc/41/55/34/1132415534.db2.gz FLZHRBAOTRLJAE-SFHVURJKSA-N 0 1 282.387 3.741 20 0 CHADMN CCCC[N@@H+](Cc1ccccc1)Cc1cncc(O)c1 ZINC001232042587 1132415681 /nfs/dbraw/zinc/41/56/81/1132415681.db2.gz JFJFMSMCLDWZJJ-UHFFFAOYSA-N 0 1 270.376 3.590 20 0 CHADMN C[C@@]1(F)CCCC[N@@H+](Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142646747 1132415948 /nfs/dbraw/zinc/41/59/48/1132415948.db2.gz BWMWAKRMRKMMMY-OAHLLOKOSA-N 0 1 299.773 3.752 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1cc2ncccc2[nH]1 ZINC001232066087 1132416897 /nfs/dbraw/zinc/41/68/97/1132416897.db2.gz MHSSEMLWILKMQK-ZDUSSCGKSA-N 0 1 295.386 3.765 20 0 CHADMN CCc1ccc(C[C@@H](C)N(C)Cc2nccs2)cc1 ZINC001173244457 1132417737 /nfs/dbraw/zinc/41/77/37/1132417737.db2.gz WCXNXGXKQHNLHM-CYBMUJFWSA-N 0 1 274.433 3.769 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C(=O)[O-])[C@H](C)C1 ZINC001142660366 1132419304 /nfs/dbraw/zinc/41/93/04/1132419304.db2.gz PROZFJINCSNWNO-GHMZBOCLSA-N 0 1 281.783 3.659 20 0 CHADMN c1c2ccncc2[nH]c1CN1CCCC[C@H]1c1cccnc1 ZINC001232093496 1132422082 /nfs/dbraw/zinc/42/20/82/1132422082.db2.gz XECGKXJTETZWLH-SFHVURJKSA-N 0 1 292.386 3.685 20 0 CHADMN CC(C)(C)c1n[nH]c(SCC[C@H]2CC2(Cl)Cl)n1 ZINC000842533650 1132438340 /nfs/dbraw/zinc/43/83/40/1132438340.db2.gz UAMPWCDFXXJTNN-ZETCQYMHSA-N 0 1 294.251 3.778 20 0 CHADMN CC(C)(C)c1nc(SCC[C@H]2CC2(Cl)Cl)n[nH]1 ZINC000842533650 1132438342 /nfs/dbraw/zinc/43/83/42/1132438342.db2.gz UAMPWCDFXXJTNN-ZETCQYMHSA-N 0 1 294.251 3.778 20 0 CHADMN CCCC[C@@H](CC(C)C)N1CCC[C@@H](F)C(=O)C1 ZINC001173258404 1132426203 /nfs/dbraw/zinc/42/62/03/1132426203.db2.gz TYPCYIPRGSAOBF-UONOGXRCSA-N 0 1 257.393 3.594 20 0 CHADMN Cn1cc(C[N@H+]2CCC[C@@H]2c2ccccc2F)c(C2CC2)n1 ZINC001232170756 1132430216 /nfs/dbraw/zinc/43/02/16/1132430216.db2.gz DYUVOMQWBJDMBY-QGZVFWFLSA-N 0 1 299.393 3.774 20 0 CHADMN Cn1cc(CN2CCC[C@@H]2c2ccccc2F)c(C2CC2)n1 ZINC001232170756 1132430219 /nfs/dbraw/zinc/43/02/19/1132430219.db2.gz DYUVOMQWBJDMBY-QGZVFWFLSA-N 0 1 299.393 3.774 20 0 CHADMN C[N@@H+](Cc1ccccc1-c1ccc(Cl)cc1)C1COC1 ZINC001232194171 1132433219 /nfs/dbraw/zinc/43/32/19/1132433219.db2.gz DPIOUWMVPJUANK-UHFFFAOYSA-N 0 1 287.790 3.838 20 0 CHADMN CN(Cc1ccccc1-c1ccc(Cl)cc1)C1COC1 ZINC001232194171 1132433222 /nfs/dbraw/zinc/43/32/22/1132433222.db2.gz DPIOUWMVPJUANK-UHFFFAOYSA-N 0 1 287.790 3.838 20 0 CHADMN c1cc(CN2CCC(CCc3ccccc3)CC2)sn1 ZINC001232193272 1132433615 /nfs/dbraw/zinc/43/36/15/1132433615.db2.gz WUNQMLQAZJHGMT-UHFFFAOYSA-N 0 1 286.444 3.988 20 0 CHADMN c1cc(C[N@H+]2CCCC[C@@H]2c2ccccc2)sn1 ZINC001232188675 1132433698 /nfs/dbraw/zinc/43/36/98/1132433698.db2.gz IKONSZFENGZKPJ-OAHLLOKOSA-N 0 1 258.390 3.870 20 0 CHADMN c1cc(CN2CCCC[C@@H]2c2ccccc2)sn1 ZINC001232188675 1132433700 /nfs/dbraw/zinc/43/37/00/1132433700.db2.gz IKONSZFENGZKPJ-OAHLLOKOSA-N 0 1 258.390 3.870 20 0 CHADMN C[C@@H]1CCCN(Cc2ccnc(C(F)(F)F)c2)[C@@H]1C ZINC001232241061 1132442577 /nfs/dbraw/zinc/44/25/77/1132442577.db2.gz DCDQDUYAMXAJOK-GHMZBOCLSA-N 0 1 272.314 3.721 20 0 CHADMN Clc1cc(CN2CC[C@]3(C2)CCCCO3)cs1 ZINC001142760260 1132442620 /nfs/dbraw/zinc/44/26/20/1132442620.db2.gz MMQQLYAUFKFGGZ-ZDUSSCGKSA-N 0 1 271.813 3.547 20 0 CHADMN c1cc(CN2CCC[C@@H]3C[C@@H]32)n(Cc2ccccc2)c1 ZINC001232239564 1132443429 /nfs/dbraw/zinc/44/34/29/1132443429.db2.gz ZUCMYIAKNQBCNY-AEFFLSMTSA-N 0 1 266.388 3.521 20 0 CHADMN COCc1cccc(CN2CCC[C@H]2c2cccs2)n1 ZINC001232256673 1132444187 /nfs/dbraw/zinc/44/41/87/1132444187.db2.gz ZJGPFHFLQWEXMT-HNNXBMFYSA-N 0 1 288.416 3.627 20 0 CHADMN Fc1cccc2sc(-c3nc([C@H]4CCCN4)no3)cc21 ZINC000842644888 1132447451 /nfs/dbraw/zinc/44/74/51/1132447451.db2.gz AGCLRMSEEWMANT-SNVBAGLBSA-N 0 1 289.335 3.515 20 0 CHADMN CCSC[C@H](C)N1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001173309956 1132449298 /nfs/dbraw/zinc/44/92/98/1132449298.db2.gz UZOJRZGDRJNKEH-OFQRWUPVSA-N 0 1 279.449 3.590 20 0 CHADMN CCOc1ncc(CN(Cc2ccccc2)C2CC2)cc1C ZINC001232306746 1132450187 /nfs/dbraw/zinc/45/01/87/1132450187.db2.gz FCJHLXIZFXWKDT-UHFFFAOYSA-N 0 1 296.414 3.953 20 0 CHADMN CCOc1ncc(CN2CCCc3ccccc3C2)cc1C ZINC001232306268 1132450458 /nfs/dbraw/zinc/45/04/58/1132450458.db2.gz UHIRPLADWDPXTD-UHFFFAOYSA-N 0 1 296.414 3.737 20 0 CHADMN CCSC[C@@H](C)N1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001173311827 1132450692 /nfs/dbraw/zinc/45/06/92/1132450692.db2.gz PMPXXGNXKTYRHB-CZUORRHYSA-N 0 1 297.439 3.515 20 0 CHADMN Cc1cc(Br)ncc1CN1CCCC[C@H](C)C1 ZINC001232316627 1132451911 /nfs/dbraw/zinc/45/19/11/1132451911.db2.gz ZEDGYFLXAFUCQD-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc(C)cc2)c(C)n1 ZINC001232312733 1132452858 /nfs/dbraw/zinc/45/28/58/1132452858.db2.gz XTGXMOGAQHPRLY-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN CC[C@H]1CCCN(Cc2cnc(Br)cc2C)C1 ZINC001232317237 1132453232 /nfs/dbraw/zinc/45/32/32/1132453232.db2.gz MMUIOWXZGUASNS-LBPRGKRZSA-N 0 1 297.240 3.775 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)C[C@@H]1F ZINC001142828603 1132454749 /nfs/dbraw/zinc/45/47/49/1132454749.db2.gz HFYWTOWNPZACCI-CJNGLKHVSA-N 0 1 270.351 3.538 20 0 CHADMN Cc1ccccc1C1(NCc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000842732215 1132455414 /nfs/dbraw/zinc/45/54/14/1132455414.db2.gz IWQHGGRVVSUBOW-UHFFFAOYSA-N 0 1 295.308 3.516 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1cccc(-c2ccccn2)c1 ZINC001142828355 1132455672 /nfs/dbraw/zinc/45/56/72/1132455672.db2.gz BVGIYTRQKANCMY-CJNGLKHVSA-N 0 1 270.351 3.681 20 0 CHADMN COc1ccc(CN2CC=C(c3ccccc3)CC2)c(C)n1 ZINC001232336764 1132456275 /nfs/dbraw/zinc/45/62/75/1132456275.db2.gz UYIQPKIOXNWBIG-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN COc1cc(CN2C[C@H](C)C[C@H](C)C2)c(OC)cc1Cl ZINC001232373595 1132461077 /nfs/dbraw/zinc/46/10/77/1132461077.db2.gz GRKJNHWSRLSYGY-TXEJJXNPSA-N 0 1 297.826 3.835 20 0 CHADMN CCOc1ccc(OC)cc1CN1CCC[C@H](C(F)F)C1 ZINC001232384208 1132461473 /nfs/dbraw/zinc/46/14/73/1132461473.db2.gz MXZIOGKNDQWBPU-LBPRGKRZSA-N 0 1 299.361 3.571 20 0 CHADMN Cc1cccc(CN2CC=CC2)c1OCc1ccccc1 ZINC001232399303 1132466999 /nfs/dbraw/zinc/46/69/99/1132466999.db2.gz JCHVNNAICQNIFG-UHFFFAOYSA-N 0 1 279.383 3.946 20 0 CHADMN Cc1c(F)cc(CN2CC[C@]3(CC3(F)F)C2)cc1F ZINC001232422461 1132467935 /nfs/dbraw/zinc/46/79/35/1132467935.db2.gz AZQRZZIHLRDMBA-ZDUSSCGKSA-N 0 1 273.273 3.504 20 0 CHADMN CN(Cc1n[nH]c2c1CCC2)Cc1ccc2ccccc2c1 ZINC001232430983 1132469236 /nfs/dbraw/zinc/46/92/36/1132469236.db2.gz GGSWMLQBMOLWBY-UHFFFAOYSA-N 0 1 291.398 3.684 20 0 CHADMN c1ncn2c1CN([C@H]1CCCC3(CCCCC3)C1)CC2 ZINC001173344052 1132469755 /nfs/dbraw/zinc/46/97/55/1132469755.db2.gz PZLYLWSCEVGUSU-HNNXBMFYSA-N 0 1 273.424 3.592 20 0 CHADMN Cc1c(F)cc(CN2CCC(OC(C)C)CC2)cc1F ZINC001232423932 1132470299 /nfs/dbraw/zinc/47/02/99/1132470299.db2.gz ZPDOHRSHRIUVNZ-UHFFFAOYSA-N 0 1 283.362 3.663 20 0 CHADMN c1ncn2c1CN([C@@H]1CCCC3(CCCCC3)C1)CC2 ZINC001173344053 1132470399 /nfs/dbraw/zinc/47/03/99/1132470399.db2.gz PZLYLWSCEVGUSU-OAHLLOKOSA-N 0 1 273.424 3.592 20 0 CHADMN c1c(CN2CCCCCC2)onc1OCc1ccccc1 ZINC001232445129 1132470867 /nfs/dbraw/zinc/47/08/67/1132470867.db2.gz OWNZORONWZSKKA-UHFFFAOYSA-N 0 1 286.375 3.630 20 0 CHADMN Clc1ccnc2[nH]cc(CN3CC4(C3)CCCCC4)c21 ZINC001232458279 1132473036 /nfs/dbraw/zinc/47/30/36/1132473036.db2.gz BQKGEBVLDUKDLC-UHFFFAOYSA-N 0 1 289.810 3.982 20 0 CHADMN Cn1cnc2c1CN([C@H]1CCCC3(CCCCC3)C1)CC2 ZINC001173347835 1132473080 /nfs/dbraw/zinc/47/30/80/1132473080.db2.gz BPZBWGDTAYDXJS-HNNXBMFYSA-N 0 1 287.451 3.671 20 0 CHADMN Clc1ccnc2[nH]cc(CN3CC(c4ccccc4)C3)c21 ZINC001232463612 1132473268 /nfs/dbraw/zinc/47/32/68/1132473268.db2.gz NUTMZGFQYQQHQZ-UHFFFAOYSA-N 0 1 297.789 3.816 20 0 CHADMN O=C1SCC[C@@H]1N[C@@H]1CCCC2(CCCCC2)C1 ZINC001173348851 1132474615 /nfs/dbraw/zinc/47/46/15/1132474615.db2.gz MUDSMIAEFHCFRK-OLZOCXBDSA-N 0 1 267.438 3.501 20 0 CHADMN CCc1csc(CN2CCC3(CCCC3)CC2)n1 ZINC001232473031 1132475262 /nfs/dbraw/zinc/47/52/62/1132475262.db2.gz WKZDFHNHEUFMBT-UHFFFAOYSA-N 0 1 264.438 3.862 20 0 CHADMN Cc1cc(Br)c(CN(C)CC(C)C)cc1F ZINC001232467191 1132475648 /nfs/dbraw/zinc/47/56/48/1132475648.db2.gz DBHYISIVLHKYRM-UHFFFAOYSA-N 0 1 288.204 3.984 20 0 CHADMN Cn1cnc2c1CCN([C@@H]1CCCC3(CCCCC3)C1)C2 ZINC001173351277 1132475689 /nfs/dbraw/zinc/47/56/89/1132475689.db2.gz ZAFULICJTJQAGH-OAHLLOKOSA-N 0 1 287.451 3.671 20 0 CHADMN Cc1cc(Br)c(CN2CC[C@@H](C)C2)cc1F ZINC001232467041 1132476168 /nfs/dbraw/zinc/47/61/68/1132476168.db2.gz YJEQQHPGWRTVOW-SECBINFHSA-N 0 1 286.188 3.738 20 0 CHADMN Fc1ccnc(CN2CCC3(CCCCC3)CC2)c1 ZINC001232491008 1132478795 /nfs/dbraw/zinc/47/87/95/1132478795.db2.gz QBMAFXZHNMQLSK-UHFFFAOYSA-N 0 1 262.372 3.767 20 0 CHADMN Cc1cccc(F)c1CN(C)C[C@@H]1Cc2ccccc2O1 ZINC001232488049 1132479003 /nfs/dbraw/zinc/47/90/03/1132479003.db2.gz XMUHPYQQHHNTTE-HNNXBMFYSA-N 0 1 285.362 3.570 20 0 CHADMN Cc1cccc(F)c1CN1CCC(C(F)(F)F)CC1 ZINC001232490126 1132479854 /nfs/dbraw/zinc/47/98/54/1132479854.db2.gz OJEZGZXGRASWAI-UHFFFAOYSA-N 0 1 275.289 3.908 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1cc(F)ccn1 ZINC001232493822 1132479880 /nfs/dbraw/zinc/47/98/80/1132479880.db2.gz CQFFYIAPCKLFTB-MRXNPFEDSA-N 0 1 258.340 3.804 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1cccc(Br)c1N ZINC001232524585 1132482917 /nfs/dbraw/zinc/48/29/17/1132482917.db2.gz YPMSQZMPNPRCMX-QWRGUYRKSA-N 0 1 297.240 3.794 20 0 CHADMN C[C@H]1CCN(Cc2cccc(Br)c2N)[C@@H](C)C1 ZINC001232525376 1132483703 /nfs/dbraw/zinc/48/37/03/1132483703.db2.gz JOPCEKXAHAUOKP-QWRGUYRKSA-N 0 1 297.240 3.652 20 0 CHADMN Cc1c(Br)cncc1CN1C[C@@H](C)C[C@H](C)C1 ZINC001232530995 1132483839 /nfs/dbraw/zinc/48/38/39/1132483839.db2.gz QBTZNSPSCNAEAX-QWRGUYRKSA-N 0 1 297.240 3.630 20 0 CHADMN Nc1c(Br)cccc1CN1CCC12CCCC2 ZINC001232520753 1132484241 /nfs/dbraw/zinc/48/42/41/1132484241.db2.gz CYOGDTDXVJEPAT-UHFFFAOYSA-N 0 1 295.224 3.550 20 0 CHADMN CCC1CCN(Cc2ccc(C(=O)OC)cc2Cl)CC1 ZINC001232575939 1132489330 /nfs/dbraw/zinc/48/93/30/1132489330.db2.gz JEXUWUHVPGPEST-UHFFFAOYSA-N 0 1 295.810 3.749 20 0 CHADMN c1ccc(COc2ccnc(CN3CC4CC(C4)C3)c2)cc1 ZINC001232590146 1132491615 /nfs/dbraw/zinc/49/16/15/1132491615.db2.gz SZDLCHOOWUNOFD-UHFFFAOYSA-N 0 1 294.398 3.502 20 0 CHADMN CC(C)CC[C@@H](CO)NCc1c(Cl)cccc1Cl ZINC001203128731 1132493025 /nfs/dbraw/zinc/49/30/25/1132493025.db2.gz XYKNYEZHHJYSEZ-NSHDSACASA-N 0 1 290.234 3.880 20 0 CHADMN Fc1nccc(Cl)c1CN1CCC[C@H]2CCC[C@H]21 ZINC001232616956 1132495289 /nfs/dbraw/zinc/49/52/89/1132495289.db2.gz AHGZWHAZWCVIOA-ZWNOBZJWSA-N 0 1 268.763 3.639 20 0 CHADMN CCCC[N@@H+](C)Cc1ccc(Cl)c([O-])c1Cl ZINC001232624675 1132496780 /nfs/dbraw/zinc/49/67/80/1132496780.db2.gz SIWJMYXWHODBNM-UHFFFAOYSA-N 0 1 262.180 3.931 20 0 CHADMN COc1cccc(C)c1CN1CCc2c(cccc2OC)C1 ZINC001232623228 1132497225 /nfs/dbraw/zinc/49/72/25/1132497225.db2.gz KJOGZFLVLPIPIZ-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@H](Cc2ccccc2)C(C)C)n1 ZINC000843150047 1132498433 /nfs/dbraw/zinc/49/84/33/1132498433.db2.gz RRUBIDXYINEXLD-HUUCEWRRSA-N 0 1 287.407 3.708 20 0 CHADMN CC(C)c1ccc(CCc2nc([C@@H](N)C(C)C)no2)cc1 ZINC000843148792 1132498631 /nfs/dbraw/zinc/49/86/31/1132498631.db2.gz WSHURJZAYBFEDK-INIZCTEOSA-N 0 1 287.407 3.634 20 0 CHADMN CC(C)[C@@H](N)c1noc(-c2scnc2C2CCCC2)n1 ZINC000843154791 1132498921 /nfs/dbraw/zinc/49/89/21/1132498921.db2.gz ZWQJHJZLKWIVDJ-SNVBAGLBSA-N 0 1 292.408 3.507 20 0 CHADMN Cc1cc2occ(Cc3nc([C@@H](N)C(C)C)no3)c2cc1C ZINC000843150127 1132499075 /nfs/dbraw/zinc/49/90/75/1132499075.db2.gz GPXCLVXGHLVJME-INIZCTEOSA-N 0 1 299.374 3.679 20 0 CHADMN CC(C)[C@H](N)c1noc([C@H](C)Cc2cccc(Cl)c2)n1 ZINC000843152160 1132499122 /nfs/dbraw/zinc/49/91/22/1132499122.db2.gz PWTLYPNZCNFQTD-MFKMUULPSA-N 0 1 293.798 3.725 20 0 CHADMN C[C@@]1(F)CCN(Cc2cccc3c2CCCC3)C[C@@H]1F ZINC001232634795 1132499287 /nfs/dbraw/zinc/49/92/87/1132499287.db2.gz WKVVYEYVPZZDQL-DLBZAZTESA-N 0 1 279.374 3.837 20 0 CHADMN C[N@H+]1CCc2ccc(Nc3cccnc3C3CC3)cc2C1 ZINC001212741691 1132499614 /nfs/dbraw/zinc/49/96/14/1132499614.db2.gz NLPRIGBFCIQUKQ-UHFFFAOYSA-N 0 1 279.387 3.691 20 0 CHADMN CCCN[C@H](C)c1nc(-c2cccc(CSC)c2)no1 ZINC000843183847 1132500882 /nfs/dbraw/zinc/50/08/82/1132500882.db2.gz HOSSTFIQURFJQD-LLVKDONJSA-N 0 1 291.420 3.660 20 0 CHADMN CC[C@@H]1CCCN1Cc1ccc(Br)c(C)n1 ZINC001232665402 1132503021 /nfs/dbraw/zinc/50/30/21/1132503021.db2.gz HSNGMTWZBZNWAG-GFCCVEGCSA-N 0 1 283.213 3.527 20 0 CHADMN Cc1nc(CN2CCC[C@H](C)CC2)ccc1Br ZINC001232661211 1132503473 /nfs/dbraw/zinc/50/34/73/1132503473.db2.gz HRWHGXOLLVYVHG-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN Brc1ccoc1CN1CC[C@H]2CCC[C@H]2C1 ZINC001143119347 1132503812 /nfs/dbraw/zinc/50/38/12/1132503812.db2.gz MFDWZTIGPLJWPC-MNOVXSKESA-N 0 1 284.197 3.664 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(-c2ccc(F)cc2F)no1 ZINC000843233859 1132505944 /nfs/dbraw/zinc/50/59/44/1132505944.db2.gz DFVMAQMUGXWPEA-GFCCVEGCSA-N 0 1 295.333 3.712 20 0 CHADMN Brc1ccc(CN2CCC3(C2)CCCCC3)[nH]1 ZINC001232691801 1132508378 /nfs/dbraw/zinc/50/83/78/1132508378.db2.gz JZGTTXLUPMTFSG-UHFFFAOYSA-N 0 1 297.240 3.933 20 0 CHADMN Cc1cnc(CN)n1C1CCC2(CCc3ccccc32)CC1 ZINC001173688511 1132509585 /nfs/dbraw/zinc/50/95/85/1132509585.db2.gz FBKWKSNDLJKBTD-UHFFFAOYSA-N 0 1 295.430 3.650 20 0 CHADMN Clc1ccc2cc(CN3CC(c4cccnc4)C3)[nH]c2c1 ZINC001232729105 1132510758 /nfs/dbraw/zinc/51/07/58/1132510758.db2.gz BQKYLJLSMLXQFJ-UHFFFAOYSA-N 0 1 297.789 3.816 20 0 CHADMN C[N@@H+](Cc1ccsc1)Cc1cccc2ncsc21 ZINC001232735165 1132511408 /nfs/dbraw/zinc/51/14/08/1132511408.db2.gz HJTLWCWWSKSRCH-UHFFFAOYSA-N 0 1 274.414 3.990 20 0 CHADMN Clc1ccc2cc(C[N@H+]3CCC[C@@H]4C[C@@H]43)[nH]c2c1 ZINC001232735536 1132511975 /nfs/dbraw/zinc/51/19/75/1132511975.db2.gz YBPBNQKUVAGGDX-ABAIWWIYSA-N 0 1 260.768 3.806 20 0 CHADMN Clc1ccc2cc(CN3CCC[C@@H]4C[C@@H]43)[nH]c2c1 ZINC001232735536 1132511977 /nfs/dbraw/zinc/51/19/77/1132511977.db2.gz YBPBNQKUVAGGDX-ABAIWWIYSA-N 0 1 260.768 3.806 20 0 CHADMN FC1(F)CCN(Cc2ccc3ncsc3c2)CC1 ZINC001232737166 1132512215 /nfs/dbraw/zinc/51/22/15/1132512215.db2.gz UCRVKKMGHBKWEG-UHFFFAOYSA-N 0 1 268.332 3.527 20 0 CHADMN C[N@@H+](Cc1ccsc1)Cc1ccc2ncsc2c1 ZINC001232742093 1132514006 /nfs/dbraw/zinc/51/40/06/1132514006.db2.gz TYEXHOAXVOHSNH-UHFFFAOYSA-N 0 1 274.414 3.990 20 0 CHADMN CN(Cc1ccsc1)Cc1ccc2ncsc2c1 ZINC001232742093 1132514009 /nfs/dbraw/zinc/51/40/09/1132514009.db2.gz TYEXHOAXVOHSNH-UHFFFAOYSA-N 0 1 274.414 3.990 20 0 CHADMN Oc1cccc(CN2C[C@H]3[C@H](CCC3(F)F)C2)c1Cl ZINC001232785959 1132520164 /nfs/dbraw/zinc/52/01/64/1132520164.db2.gz NAEBMUIPJGBXSM-KOLCDFICSA-N 0 1 287.737 3.523 20 0 CHADMN Cc1cc(CN2CCCCC23CC3)c(F)cc1F ZINC001232785828 1132520215 /nfs/dbraw/zinc/52/02/15/1132520215.db2.gz CEICIJCBJCABNU-UHFFFAOYSA-N 0 1 251.320 3.792 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cc3cccnc3[nH]2)cn1 ZINC001143222137 1132520528 /nfs/dbraw/zinc/52/05/28/1132520528.db2.gz ZCJAXQQGNOKFTL-KRWDZBQOSA-N 0 1 292.386 3.603 20 0 CHADMN CC1(C)CN(Cc2cc3cccnc3[nH]2)Cc2ccccc21 ZINC001143222086 1132520772 /nfs/dbraw/zinc/52/07/72/1132520772.db2.gz XKDQLYHXOSQALB-UHFFFAOYSA-N 0 1 291.398 3.856 20 0 CHADMN Cc1cc(CN2CCC3(CC(F)C3)CC2)c(F)cc1F ZINC001232785221 1132520789 /nfs/dbraw/zinc/52/07/89/1132520789.db2.gz OTTCPEMFMHHWAI-UHFFFAOYSA-N 0 1 283.337 3.987 20 0 CHADMN c1c2cccnc2[nH]c1CN1CCC[C@H]2CCCC[C@H]21 ZINC001143222730 1132521164 /nfs/dbraw/zinc/52/11/64/1132521164.db2.gz AMGMTELVSYHZLR-CZUORRHYSA-N 0 1 269.392 3.718 20 0 CHADMN Cc1cc(CN2CCC[C@@](C)(F)CC2)c(F)cc1F ZINC001232785419 1132521693 /nfs/dbraw/zinc/52/16/93/1132521693.db2.gz UMZFYEACHYTRRA-OAHLLOKOSA-N 0 1 271.326 3.987 20 0 CHADMN CCOc1ccc(CN2CCC[C@@H](C)C2)c(F)c1F ZINC001143267996 1132525629 /nfs/dbraw/zinc/52/56/29/1132525629.db2.gz WCOAYZXPPFBGSZ-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN CCOc1ccc(CN(CC2CC2)C2CC2)c(F)c1F ZINC001143279932 1132527850 /nfs/dbraw/zinc/52/78/50/1132527850.db2.gz GLLHGFRDFGBJDH-UHFFFAOYSA-N 0 1 281.346 3.738 20 0 CHADMN CC[C@@H]1CCC[C@@H](CN2CCc3cc(Cl)nnc3C2)C1 ZINC000843417866 1132530146 /nfs/dbraw/zinc/53/01/46/1132530146.db2.gz DNOUTMUDOZWFDK-CHWSQXEVSA-N 0 1 293.842 3.705 20 0 CHADMN Brc1coc(CN2CC[C@H]3CCC[C@@H]3C2)c1 ZINC001232851516 1132531709 /nfs/dbraw/zinc/53/17/09/1132531709.db2.gz DTGVENPDHFPLCY-GHMZBOCLSA-N 0 1 284.197 3.664 20 0 CHADMN COc1c(F)ccc(CN2CCCCC[C@H]2C)c1F ZINC001143317718 1132534560 /nfs/dbraw/zinc/53/45/60/1132534560.db2.gz AVBPYXRXKNNMDW-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN CN(Cc1cncc(-c2ccccc2)c1)C1CC(F)(F)C1 ZINC001232898053 1132539568 /nfs/dbraw/zinc/53/95/68/1132539568.db2.gz YJXUVLYSPGYFQY-UHFFFAOYSA-N 0 1 288.341 3.978 20 0 CHADMN F[C@@H]1CN(Cc2cncc(-c3ccccc3)c2)C[C@@H]2C[C@@H]21 ZINC001232898858 1132540676 /nfs/dbraw/zinc/54/06/76/1132540676.db2.gz KCKNRXXPZYJDIF-OKZBNKHCSA-N 0 1 282.362 3.538 20 0 CHADMN c1coc(CN(Cc2cccc3cccnc32)C2CC2)c1 ZINC000045748941 1132541295 /nfs/dbraw/zinc/54/12/95/1132541295.db2.gz XTOAMKSLLLEHJB-UHFFFAOYSA-N 0 1 278.355 3.992 20 0 CHADMN Oc1c(Cl)ccc(Nc2cnn3ccccc23)c1F ZINC001214798214 1132553029 /nfs/dbraw/zinc/55/30/29/1132553029.db2.gz NPHVXDMQBRVRNH-UHFFFAOYSA-N 0 1 277.686 3.576 20 0 CHADMN C[C@@H]1C[C@@H](C)CCN1Cc1cc(O)cc(Br)c1 ZINC001232998021 1132560577 /nfs/dbraw/zinc/56/05/77/1132560577.db2.gz CYFHAWGHYJCKIO-WDEREUQCSA-N 0 1 298.224 3.775 20 0 CHADMN COc1ccccc1[C@H](C)N(C)Cc1cnc(C)cc1C ZINC001233009715 1132562195 /nfs/dbraw/zinc/56/21/95/1132562195.db2.gz KQGZRGLXMWTWLY-HNNXBMFYSA-N 0 1 284.403 3.900 20 0 CHADMN C[C@H]1CN(Cc2cc(Cl)ncc2O)Cc2ccccc21 ZINC001233032438 1132565082 /nfs/dbraw/zinc/56/50/82/1132565082.db2.gz KUKMEVPVWPKIDT-NSHDSACASA-N 0 1 288.778 3.560 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCCC[C@@H]1CC ZINC001233021945 1132565703 /nfs/dbraw/zinc/56/57/03/1132565703.db2.gz WGGFFTFJLLHCFU-LBPRGKRZSA-N 0 1 281.421 3.689 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1F ZINC001233053293 1132566877 /nfs/dbraw/zinc/56/68/77/1132566877.db2.gz NOISDGFMDMLVBI-JSGCOSHPSA-N 0 1 263.356 3.686 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1F ZINC001233053293 1132566880 /nfs/dbraw/zinc/56/68/80/1132566880.db2.gz NOISDGFMDMLVBI-JSGCOSHPSA-N 0 1 263.356 3.686 20 0 CHADMN Cc1cc(Nc2ccc(F)c(F)c2)n(-c2ccncc2)n1 ZINC001173866344 1132568126 /nfs/dbraw/zinc/56/81/26/1132568126.db2.gz DTBDTFAHPMACAT-UHFFFAOYSA-N 0 1 286.285 3.598 20 0 CHADMN Clc1sccc1CN1CC[C@H](COCC2CC2)C1 ZINC001233058599 1132569155 /nfs/dbraw/zinc/56/91/55/1132569155.db2.gz PWRJXEKCLQUHRQ-LBPRGKRZSA-N 0 1 285.840 3.650 20 0 CHADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1ccsc1Cl ZINC001233059426 1132570441 /nfs/dbraw/zinc/57/04/41/1132570441.db2.gz QVAVHDFBYSHEJV-FOSCPWQOSA-N 0 1 271.813 3.543 20 0 CHADMN CCc1ccc(Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001173868887 1132571563 /nfs/dbraw/zinc/57/15/63/1132571563.db2.gz SVBBGXZJIUJCBS-UHFFFAOYSA-N 0 1 295.430 3.744 20 0 CHADMN Cc1cc(Nc2c(C)cccc2C)n(-c2ccncc2)n1 ZINC001173873414 1132576346 /nfs/dbraw/zinc/57/63/46/1132576346.db2.gz BPCZKFXEQZPPJA-UHFFFAOYSA-N 0 1 278.359 3.936 20 0 CHADMN Cc1cccc(-c2ccc(CN3CC[C@](F)(CO)C3)cc2)c1 ZINC001233223172 1132582143 /nfs/dbraw/zinc/58/21/43/1132582143.db2.gz HTNKRAYDMZHBLK-LJQANCHMSA-N 0 1 299.389 3.568 20 0 CHADMN Cc1csc(CN2CCCC3(CC(F)C3)CC2)n1 ZINC001204379235 1132583753 /nfs/dbraw/zinc/58/37/53/1132583753.db2.gz JSHIEYICIARVHD-UHFFFAOYSA-N 0 1 268.401 3.556 20 0 CHADMN COc1ccc2c(c1)CN(Cc1ccc(C)c(O)c1)CCC2 ZINC001233235334 1132585814 /nfs/dbraw/zinc/58/58/14/1132585814.db2.gz MZNQRFKYOBUBLS-UHFFFAOYSA-N 0 1 297.398 3.658 20 0 CHADMN Fc1ccccc1[C@H]1CCCN1Cc1cnn2ccccc12 ZINC001233236807 1132587264 /nfs/dbraw/zinc/58/72/64/1132587264.db2.gz CETBNRLOGBNKPV-GOSISDBHSA-N 0 1 295.361 3.811 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1cccc(O)c1OC ZINC001233257675 1132590922 /nfs/dbraw/zinc/59/09/22/1132590922.db2.gz VROUFBXUPDYEPC-KRWDZBQOSA-N 0 1 297.398 3.910 20 0 CHADMN COc1ccc2c(c1)C[N@H+](Cc1ccc([S-])cc1)CC2 ZINC001233258567 1132591099 /nfs/dbraw/zinc/59/10/99/1132591099.db2.gz JUCQFLOXRSOILJ-UHFFFAOYSA-N 0 1 285.412 3.542 20 0 CHADMN C[N@@H+](CCc1ccccc1F)Cc1ccc([S-])cc1 ZINC001233262816 1132593731 /nfs/dbraw/zinc/59/37/31/1132593731.db2.gz WAYGSPPKZMGSOA-UHFFFAOYSA-N 0 1 275.392 3.789 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1ncccc1OC ZINC001206650657 1132601423 /nfs/dbraw/zinc/60/14/23/1132601423.db2.gz TVCYFUCMJIMORI-MRXNPFEDSA-N 0 1 270.376 3.673 20 0 CHADMN CC[C@H]1c2ccccc2CCN1Cc1sncc1C ZINC001233321826 1132601944 /nfs/dbraw/zinc/60/19/44/1132601944.db2.gz FWOWKDRXWPKLIU-HNNXBMFYSA-N 0 1 272.417 3.961 20 0 CHADMN Cc1cnsc1CN1Cc2ccccc2C(C)(C)C1 ZINC001233321939 1132602017 /nfs/dbraw/zinc/60/20/17/1132602017.db2.gz LDTCOLHNVYSFEB-UHFFFAOYSA-N 0 1 272.417 3.745 20 0 CHADMN COc1cc(F)c(CN2CCCCCCC2)cc1F ZINC001233343248 1132606591 /nfs/dbraw/zinc/60/65/91/1132606591.db2.gz FTBLFQBZCGXJPF-UHFFFAOYSA-N 0 1 269.335 3.740 20 0 CHADMN CSc1cccc(Cl)c1CN1CC[C@](C)(O)[C@@H](C)C1 ZINC001233350441 1132607867 /nfs/dbraw/zinc/60/78/67/1132607867.db2.gz HPOMKQUCJMAFSB-NHYWBVRUSA-N 0 1 299.867 3.655 20 0 CHADMN Clc1cccc2ncc(CN3CC4CCC(CC4)C3)n21 ZINC001233359627 1132609428 /nfs/dbraw/zinc/60/94/28/1132609428.db2.gz FMCZSBUUJWDUIG-UHFFFAOYSA-N 0 1 289.810 3.610 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1cnc2cccc(Cl)n12 ZINC001233355776 1132609720 /nfs/dbraw/zinc/60/97/20/1132609720.db2.gz MDCIEVJLMYPWEI-RYUDHWBXSA-N 0 1 277.799 3.751 20 0 CHADMN Nc1cccc(CN2CCC[C@H]2c2ccccc2Cl)n1 ZINC001233371537 1132612134 /nfs/dbraw/zinc/61/21/34/1132612134.db2.gz VRTNRXMAAPISKD-HNNXBMFYSA-N 0 1 287.794 3.654 20 0 CHADMN Nc1cc(F)c(F)cc1CN1CCC2(CC[C@H](F)C2)CC1 ZINC001233381630 1132613481 /nfs/dbraw/zinc/61/34/81/1132613481.db2.gz MESIFUZTUAQJHA-LBPRGKRZSA-N 0 1 298.352 3.651 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cn3ccc(Cl)cc3n2)CC1 ZINC001233388949 1132614947 /nfs/dbraw/zinc/61/49/47/1132614947.db2.gz SNHYMHJIQMGHTN-OAHLLOKOSA-N 0 1 295.789 3.702 20 0 CHADMN Brc1cc(CN2CCCC3(CCC3)C2)c[nH]1 ZINC001233438509 1132623910 /nfs/dbraw/zinc/62/39/10/1132623910.db2.gz TYTDYYCSSNHOQB-UHFFFAOYSA-N 0 1 283.213 3.543 20 0 CHADMN Clc1ccn2cc(CN3CCC[C@@H]4CCC[C@H]43)nc2c1 ZINC001233391318 1132616100 /nfs/dbraw/zinc/61/61/00/1132616100.db2.gz CGQKIKKLFURXMJ-SWLSCSKDSA-N 0 1 289.810 3.752 20 0 CHADMN C[C@@H]1CCN(Cc2cn3ccc(Cl)cc3n2)[C@@H](C)C1 ZINC001233391678 1132616823 /nfs/dbraw/zinc/61/68/23/1132616823.db2.gz RUKPYRUALJMCBX-NEPJUHHUSA-N 0 1 277.799 3.608 20 0 CHADMN CC(C)C1CCN(Cc2cn3ccc(Cl)cc3n2)CC1 ZINC001233392204 1132616856 /nfs/dbraw/zinc/61/68/56/1132616856.db2.gz OSLORPMVPPQYHC-UHFFFAOYSA-N 0 1 291.826 3.856 20 0 CHADMN CCCCN(CC)Cc1ccc(OC)c(O)c1Cl ZINC001233397444 1132617312 /nfs/dbraw/zinc/61/73/12/1132617312.db2.gz ADWXCVFATBBIPW-UHFFFAOYSA-N 0 1 271.788 3.676 20 0 CHADMN C[C@H]1CCN(Cc2cn3ccc(Cl)cc3n2)[C@@H](C)C1 ZINC001233391680 1132617325 /nfs/dbraw/zinc/61/73/25/1132617325.db2.gz RUKPYRUALJMCBX-RYUDHWBXSA-N 0 1 277.799 3.608 20 0 CHADMN C[C@@H]1CCCCN1Cc1ccn(C(=O)OC(C)(C)C)c1 ZINC001233429535 1132620386 /nfs/dbraw/zinc/62/03/86/1132620386.db2.gz FBTCOXQUJUCKPT-CYBMUJFWSA-N 0 1 278.396 3.646 20 0 CHADMN Clc1cccn2cc(CN3CC[C@H]4CCC[C@@H]4C3)nc12 ZINC001233420768 1132620870 /nfs/dbraw/zinc/62/08/70/1132620870.db2.gz XMJVDLFTEOVJDT-CHWSQXEVSA-N 0 1 289.810 3.610 20 0 CHADMN Clc1cccn2cc(CN3C[C@H]4CCCC[C@@H]4C3)nc12 ZINC001233420305 1132621485 /nfs/dbraw/zinc/62/14/85/1132621485.db2.gz HRKLCAFDSDDFGT-CHWSQXEVSA-N 0 1 289.810 3.610 20 0 CHADMN Cc1ccc(C(F)(F)F)c(Nc2ccncc2)c1 ZINC001173883465 1132623438 /nfs/dbraw/zinc/62/34/38/1132623438.db2.gz QJXZVNYOPPFQSE-UHFFFAOYSA-N 0 1 252.239 3.574 20 0 CHADMN Clc1cccc(Br)c1Nc1ccncc1 ZINC001173882850 1132624109 /nfs/dbraw/zinc/62/41/09/1132624109.db2.gz XOPMNFASWNKUOC-UHFFFAOYSA-N 0 1 283.556 3.663 20 0 CHADMN CN(C(=O)OC(C)(C)C)c1ccccc1Nc1ccncc1 ZINC001173885298 1132624775 /nfs/dbraw/zinc/62/47/75/1132624775.db2.gz SCXMERSVRPCYIU-UHFFFAOYSA-N 0 1 299.374 3.618 20 0 CHADMN c1ccc(OC2CCCCC2)c(Nc2ccncc2)c1 ZINC001173883709 1132625101 /nfs/dbraw/zinc/62/51/01/1132625101.db2.gz XEDUBOJGTBDPHC-UHFFFAOYSA-N 0 1 268.360 3.959 20 0 CHADMN Fc1cc(Cl)cc(Cl)c1Nc1ccncc1 ZINC001173883981 1132625874 /nfs/dbraw/zinc/62/58/74/1132625874.db2.gz AIPJCPDGABPICO-UHFFFAOYSA-N 0 1 257.095 3.693 20 0 CHADMN C[C@H]1CCCCN(Cc2cn3c(cccc3Cl)n2)C1 ZINC001233552254 1132635077 /nfs/dbraw/zinc/63/50/77/1132635077.db2.gz VCAVBZQXPDTBIX-LBPRGKRZSA-N 0 1 277.799 3.610 20 0 CHADMN Cc1cc(CN2CC[C@](C)(F)[C@@H](F)C2)sc1C ZINC001233656663 1132658701 /nfs/dbraw/zinc/65/87/01/1132658701.db2.gz ZWUKHUBEDLZEAZ-STQMWFEESA-N 0 1 259.365 3.637 20 0 CHADMN COc1ccc(C)cc1Nc1cc(C)nn1-c1ccncc1 ZINC001173984361 1132662902 /nfs/dbraw/zinc/66/29/02/1132662902.db2.gz NRJHJTGGEVQDGT-UHFFFAOYSA-N 0 1 294.358 3.636 20 0 CHADMN Cc1cccc2ccnc(NCc3ccccc3N)c12 ZINC001155987992 1132674691 /nfs/dbraw/zinc/67/46/91/1132674691.db2.gz GPKWTYFAGGLXSE-UHFFFAOYSA-N 0 1 263.344 3.738 20 0 CHADMN COc1ccc(O[C@@H](C)CNc2cc(C)c(C)cn2)cc1 ZINC001156081264 1132681078 /nfs/dbraw/zinc/68/10/78/1132681078.db2.gz XPSIRTDSNCZGPD-AWEZNQCLSA-N 0 1 286.375 3.586 20 0 CHADMN C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(Cl)c(O)c2)[C@@H]1C ZINC001156207937 1132687750 /nfs/dbraw/zinc/68/77/50/1132687750.db2.gz VUOCKEOABCRZAT-WZRBSPASSA-N 0 1 295.810 3.848 20 0 CHADMN COc1ccc2c(ccnc2N2C[C@H](C)CC23CC3)c1 ZINC001156412668 1132693225 /nfs/dbraw/zinc/69/32/25/1132693225.db2.gz SIJLUBVDSFBYFF-GFCCVEGCSA-N 0 1 268.360 3.622 20 0 CHADMN COc1cc2ccnc(N3C[C@H](C)CC34CC4)c2cc1OC ZINC001156420287 1132694498 /nfs/dbraw/zinc/69/44/98/1132694498.db2.gz QWAGNNZEZGRLHV-GFCCVEGCSA-N 0 1 298.386 3.631 20 0 CHADMN COc1ccc2cc(-n3c(N)nc4ccccc43)ccc2c1 ZINC001174030205 1132699499 /nfs/dbraw/zinc/69/94/99/1132699499.db2.gz HEYWVJVFANWDEV-UHFFFAOYSA-N 0 1 289.338 3.770 20 0 CHADMN Nc1cc2ccn(-c3ccnc4ccccc43)c2cc1F ZINC001174040409 1132705583 /nfs/dbraw/zinc/70/55/83/1132705583.db2.gz IESWXSYIWJAPJU-UHFFFAOYSA-N 0 1 277.302 3.900 20 0 CHADMN CC1=C(C)C[C@@](C)(C(=O)NCc2cnc(C(C)C)[nH]2)CC1 ZINC001157124758 1132722599 /nfs/dbraw/zinc/72/25/99/1132722599.db2.gz OJBKUJORMGVTAA-KRWDZBQOSA-N 0 1 289.423 3.676 20 0 CHADMN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc3cncn3c2)C1(C)C ZINC001157388321 1132730200 /nfs/dbraw/zinc/73/02/00/1132730200.db2.gz FARBNHUAWPROHS-CABCVRRESA-N 0 1 283.375 3.511 20 0 CHADMN COc1cc(Nc2cccc(OC(C)C)c2)ncc1C ZINC001174114844 1132730231 /nfs/dbraw/zinc/73/02/31/1132730231.db2.gz MWPCLGUSULSPRB-UHFFFAOYSA-N 0 1 272.348 3.929 20 0 CHADMN Cc1oc(C(C)C)cc1C(=O)Nc1ccc2cncn2c1 ZINC001157397449 1132731434 /nfs/dbraw/zinc/73/14/34/1132731434.db2.gz WIMQQSYBVBLMFU-UHFFFAOYSA-N 0 1 283.331 3.611 20 0 CHADMN Cc1cnc(N2CCC(c3ccc(N)cc3)CC2)cc1C ZINC001157706404 1132739186 /nfs/dbraw/zinc/73/91/86/1132739186.db2.gz HKVCJKCCDUSDAU-UHFFFAOYSA-N 0 1 281.403 3.665 20 0 CHADMN CCOC(=O)c1cc2ccc(N[C@@H](C)C(C)(C)C)nc2[nH]1 ZINC001157875644 1132751335 /nfs/dbraw/zinc/75/13/35/1132751335.db2.gz KDSXFKZHCBLBKU-JTQLQIEISA-N 0 1 289.379 3.586 20 0 CHADMN CCCC[C@H](CC)CC(=O)N1CCN([C@H](C)CC)CC1 ZINC001158145235 1132764674 /nfs/dbraw/zinc/76/46/74/1132764674.db2.gz LLLLGUUAZCUOIZ-CVEARBPZSA-N 0 1 282.472 3.536 20 0 CHADMN Fc1cccc2ncc(Nc3ccc4nccn4c3)cc12 ZINC001174279230 1132768848 /nfs/dbraw/zinc/76/88/48/1132768848.db2.gz YNLTWSAIINADEB-UHFFFAOYSA-N 0 1 278.290 3.765 20 0 CHADMN COc1cc(Cl)ccc1Nc1ccc2nccn2c1 ZINC001174279406 1132769518 /nfs/dbraw/zinc/76/95/18/1132769518.db2.gz XXDITTNGSBICLZ-UHFFFAOYSA-N 0 1 273.723 3.740 20 0 CHADMN CCN(C)c1ccc(Nc2ccc3nccn3c2)cc1 ZINC001174279566 1132769628 /nfs/dbraw/zinc/76/96/28/1132769628.db2.gz AYVMFPIJQVOHAO-UHFFFAOYSA-N 0 1 266.348 3.534 20 0 CHADMN Cc1cnc(N[C@@H]2C[C@@H](C)c3ccccc32)c(N)c1 ZINC001158474798 1132779901 /nfs/dbraw/zinc/77/99/01/1132779901.db2.gz UMKDKBAZRNRCAK-IAQYHMDHSA-N 0 1 253.349 3.633 20 0 CHADMN Cc1nc2cnc(N(C(C)C)[C@@H](C)c3ccccc3)nc2[nH]1 ZINC001158473638 1132780497 /nfs/dbraw/zinc/78/04/97/1132780497.db2.gz HHSICKWIXSHFLU-LBPRGKRZSA-N 0 1 295.390 3.589 20 0 CHADMN CCOc1cc(F)ccc1Nc1ccc2nccn2c1 ZINC001174276874 1132785793 /nfs/dbraw/zinc/78/57/93/1132785793.db2.gz UOKBMKIFNBVCTI-UHFFFAOYSA-N 0 1 271.295 3.616 20 0 CHADMN Cc1ccnc2c(Nc3ccc4nccn4c3)cccc12 ZINC001174278118 1132786094 /nfs/dbraw/zinc/78/60/94/1132786094.db2.gz QKUNRJGSWAYLTO-UHFFFAOYSA-N 0 1 274.327 3.935 20 0 CHADMN CC(C)c1ccc(Nc2ccc3nccn3c2)cn1 ZINC001174277398 1132786278 /nfs/dbraw/zinc/78/62/78/1132786278.db2.gz SNKNERVOHAEZET-UHFFFAOYSA-N 0 1 252.321 3.596 20 0 CHADMN Cc1ccc(-n2nccc2Nc2cccc3[nH]ncc32)cc1 ZINC001174342481 1132799210 /nfs/dbraw/zinc/79/92/10/1132799210.db2.gz BZSGNBKSJLLGID-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Fc1cccc2cc(Nc3cccc4[nH]ncc43)cnc12 ZINC001174342937 1132799541 /nfs/dbraw/zinc/79/95/41/1132799541.db2.gz JKJXPLRZDGXYAM-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN FC(F)(F)Oc1cccnc1Nc1cccc2[nH]ncc21 ZINC001174342592 1132800275 /nfs/dbraw/zinc/80/02/75/1132800275.db2.gz CCLZBZWXWZSTHG-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN Fc1cc(Nc2cccc3[nH]ncc32)cc(F)c1F ZINC001174343895 1132800893 /nfs/dbraw/zinc/80/08/93/1132800893.db2.gz FZZPTZNAQUWLBK-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN Fc1ccccc1-n1nccc1Nc1cccc2[nH]ncc21 ZINC001174343822 1132801863 /nfs/dbraw/zinc/80/18/63/1132801863.db2.gz ZTPLNJMSCATUOP-UHFFFAOYSA-N 0 1 293.305 3.631 20 0 CHADMN COc1ccc(C)cc1Nc1cccc2[nH]ncc21 ZINC001174344506 1132802855 /nfs/dbraw/zinc/80/28/55/1132802855.db2.gz DLXPEESTRUIBPG-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cc1ccc(CCCO)c(Nc2cccc3[nH]ncc32)c1 ZINC001174345219 1132803239 /nfs/dbraw/zinc/80/32/39/1132803239.db2.gz OLNLUKHVTCTEMX-UHFFFAOYSA-N 0 1 281.359 3.540 20 0 CHADMN COc1cccc(C(C)=O)c1Nc1cccc2[nH]ncc21 ZINC001174345810 1132803772 /nfs/dbraw/zinc/80/37/72/1132803772.db2.gz UFRGXMQVVVBHHK-UHFFFAOYSA-N 0 1 281.315 3.518 20 0 CHADMN c1n[nH]c2cccc(Nc3ccc4cccnc4c3)c12 ZINC001174344611 1132804554 /nfs/dbraw/zinc/80/45/54/1132804554.db2.gz JDLAEPOCNQGWRC-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN Cc1ccc(Nc2cc([C@@H]3CCCCN3)no2)cc1 ZINC001159309249 1132828066 /nfs/dbraw/zinc/82/80/66/1132828066.db2.gz RSAUYTNEWSFKEC-ZDUSSCGKSA-N 0 1 257.337 3.541 20 0 CHADMN Cc1sccc1Nc1cc([C@H]2CCCCN2)no1 ZINC001159308171 1132828141 /nfs/dbraw/zinc/82/81/41/1132828141.db2.gz HXUYKPLDGOTRAQ-LLVKDONJSA-N 0 1 263.366 3.603 20 0 CHADMN COc1ccc(Nc2cc([C@H]3CCCCN3)no2)cc1C ZINC001159309626 1132828681 /nfs/dbraw/zinc/82/86/81/1132828681.db2.gz WXRDEOYPNWMFHQ-CYBMUJFWSA-N 0 1 287.363 3.550 20 0 CHADMN Cc1cscc1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159313755 1132829057 /nfs/dbraw/zinc/82/90/57/1132829057.db2.gz TWILZTBCZWTHJU-JTQLQIEISA-N 0 1 263.366 3.603 20 0 CHADMN C(CCc1ccccc1)=Nc1cc([C@@H]2CCCCN2)no1 ZINC001159313200 1132829779 /nfs/dbraw/zinc/82/97/79/1132829779.db2.gz JJXCPLMPGQDNMS-MFMIUCCHSA-N 0 1 283.375 3.658 20 0 CHADMN c1c(Nc2ccc3c(c2)CCCO3)onc1[C@@H]1CCCCN1 ZINC001159309651 1132830454 /nfs/dbraw/zinc/83/04/54/1132830454.db2.gz XKIOBMSZUGPKFT-AWEZNQCLSA-N 0 1 299.374 3.558 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cccc(C(C)(C)O)c1 ZINC001174407882 1132846305 /nfs/dbraw/zinc/84/63/05/1132846305.db2.gz VGSBCQHTUGOAJW-UHFFFAOYSA-N 0 1 299.349 3.753 20 0 CHADMN c1coc(-c2ccc(Nc3ccc4c[nH]nc4c3)cc2)n1 ZINC001174500173 1132860502 /nfs/dbraw/zinc/86/05/02/1132860502.db2.gz CONJHPDIHZXDQV-UHFFFAOYSA-N 0 1 276.299 3.962 20 0 CHADMN Cc1nc(Cl)ccc1Nc1ccc2c[nH]nc2c1 ZINC001174497865 1132863943 /nfs/dbraw/zinc/86/39/43/1132863943.db2.gz NHGIWHSJWUDWCQ-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN c1n[nH]c2cc(Nc3ncccc3C3CC3)ccc12 ZINC001174498939 1132864737 /nfs/dbraw/zinc/86/47/37/1132864737.db2.gz NBMVPNUDVHNBKD-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN Cc1cc(F)c(Nc2cccc3[nH]ncc32)cc1F ZINC001159574641 1132865069 /nfs/dbraw/zinc/86/50/69/1132865069.db2.gz JQCPAKRHVVUFIF-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN CCc1cc(Nc2cccc3[nH]ncc32)ccc1OC ZINC001159574761 1132865854 /nfs/dbraw/zinc/86/58/54/1132865854.db2.gz LNWLRSWKNYWHPG-UHFFFAOYSA-N 0 1 267.332 3.878 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4c(c3)NCCC4)ccc21 ZINC001159605122 1132872338 /nfs/dbraw/zinc/87/23/38/1132872338.db2.gz ZXWSHAKCXJBKDQ-UHFFFAOYSA-N 0 1 278.359 3.973 20 0 CHADMN [O-]c1ccc(Cl)c(NC2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1Cl ZINC001159656344 1132885140 /nfs/dbraw/zinc/88/51/40/1132885140.db2.gz TWWDPXIANGHMIZ-SFYZADRCSA-N 0 1 285.174 3.519 20 0 CHADMN Fc1cc(Nc2ccc3c(c2)NCCC3)cc2[nH]ncc21 ZINC001159610000 1132874988 /nfs/dbraw/zinc/87/49/88/1132874988.db2.gz WTHBYQYRUBIFQR-UHFFFAOYSA-N 0 1 282.322 3.804 20 0 CHADMN CCOc1nccc(Nc2ccc3c[nH]nc3c2)c1Cl ZINC001159662986 1132886845 /nfs/dbraw/zinc/88/68/45/1132886845.db2.gz OYQBFPFUZUSDBI-UHFFFAOYSA-N 0 1 288.738 3.754 20 0 CHADMN Cc1cnccc1Nc1cc(-c2ccccc2Cl)no1 ZINC001174536958 1132897306 /nfs/dbraw/zinc/89/73/06/1132897306.db2.gz PDJVQVUWLCJOJA-UHFFFAOYSA-N 0 1 285.734 3.864 20 0 CHADMN CCOC(=O)c1cccc(Nc2ccc3c[nH]nc3c2)c1C ZINC001174501642 1132902280 /nfs/dbraw/zinc/90/22/80/1132902280.db2.gz CMKQVCRXCBNPAG-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN COc1c(F)ccc(Nc2ccc3c[nH]nc3c2)c1F ZINC001174501596 1132903028 /nfs/dbraw/zinc/90/30/28/1132903028.db2.gz AQKLSNJTVFSRRU-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN CC(=O)c1ccc(F)c(Nc2ccc3c[nH]nc3c2)c1 ZINC001174500965 1132903141 /nfs/dbraw/zinc/90/31/41/1132903141.db2.gz CTFFJTJPRCURKL-UHFFFAOYSA-N 0 1 269.279 3.648 20 0 CHADMN CC1(c2ccc(Nc3ccc4c[nH]nc4c3)cc2)COC1 ZINC001174502199 1132904737 /nfs/dbraw/zinc/90/47/37/1132904737.db2.gz IHOMQZYTUIFJGB-UHFFFAOYSA-N 0 1 279.343 3.594 20 0 CHADMN COC(=O)c1cccc([C@H](C)Nc2ccc3c(n2)CCC3)c1 ZINC001159954076 1132927670 /nfs/dbraw/zinc/92/76/70/1132927670.db2.gz DORBEJYPOJNFKV-LBPRGKRZSA-N 0 1 296.370 3.530 20 0 CHADMN Nc1nc2cc(Nc3cc4[nH]ncc4c(F)c3)ccc2s1 ZINC001160006484 1132934698 /nfs/dbraw/zinc/93/46/98/1132934698.db2.gz VLCMVGLAWSRMOJ-UHFFFAOYSA-N 0 1 299.334 3.638 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CC[C@H](C)CC3)n2)cc1 ZINC001160506777 1132973699 /nfs/dbraw/zinc/97/36/99/1132973699.db2.gz LKMNZUZAGYYVFQ-MQMHXKEQSA-N 0 1 298.390 3.545 20 0 CHADMN Cc1ccc(NC2CC3(C2)CC(F)(F)C3)nc1C ZINC001160587987 1132975373 /nfs/dbraw/zinc/97/53/73/1132975373.db2.gz LTFQWFREEVCJGP-UHFFFAOYSA-N 0 1 252.308 3.688 20 0 CHADMN COc1cc(C)c(CNc2cc(C)c(C)cn2)cc1C ZINC001160775361 1132980913 /nfs/dbraw/zinc/98/09/13/1132980913.db2.gz HAILOLYIHYIOET-UHFFFAOYSA-N 0 1 270.376 3.936 20 0 CHADMN Cc1cnc(NCC2(CC3CC3)CCOCC2)c(C)c1 ZINC001161647892 1133014111 /nfs/dbraw/zinc/01/41/11/1133014111.db2.gz BIHGIQYEXRBLRK-UHFFFAOYSA-N 0 1 274.408 3.707 20 0 CHADMN CC(C)(C)CCNc1cc(OCC(F)(F)F)ccn1 ZINC001161681349 1133014587 /nfs/dbraw/zinc/01/45/87/1133014587.db2.gz SRWMJAUGUPFSCP-UHFFFAOYSA-N 0 1 276.302 3.871 20 0 CHADMN Cc1cnc(N[C@@H](c2cncc(F)c2)C2CC2)cc1C ZINC001161817737 1133031715 /nfs/dbraw/zinc/03/17/15/1133031715.db2.gz GFEUHEJXHXKRJY-MRXNPFEDSA-N 0 1 271.339 3.796 20 0 CHADMN CC(C)(C)Oc1ccnc(NCCC(F)(F)F)c1 ZINC001161828868 1133033390 /nfs/dbraw/zinc/03/33/90/1133033390.db2.gz XDLFICJKPYLBLG-UHFFFAOYSA-N 0 1 262.275 3.623 20 0 CHADMN c1ccc(-c2nc3ccc(NC4CCOCC4)cc3[nH]2)cc1 ZINC001161867328 1133036002 /nfs/dbraw/zinc/03/60/02/1133036002.db2.gz SUOVLROPZNPYPE-UHFFFAOYSA-N 0 1 293.370 3.821 20 0 CHADMN Cc1ccnc(NCc2cccc(OC(F)F)c2)c1C ZINC001161983994 1133047413 /nfs/dbraw/zinc/04/74/13/1133047413.db2.gz OWOXTJKQDWQKJO-UHFFFAOYSA-N 0 1 278.302 3.912 20 0 CHADMN Cc1nc2c(nc(Cl)nc2NC[C@H]2CCC(C)(C)C2)[nH]1 ZINC001162123390 1133052806 /nfs/dbraw/zinc/05/28/06/1133052806.db2.gz UDOCXAQPRRQRKS-VIFPVBQESA-N 0 1 293.802 3.505 20 0 CHADMN CC(C)C[C@H](CO)Nc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001162372015 1133073088 /nfs/dbraw/zinc/07/30/88/1133073088.db2.gz ADNYHBYTDDVUOS-CYBMUJFWSA-N 0 1 283.375 3.535 20 0 CHADMN Fc1cc2[nH]cnc2cc1NC[C@H]1CCC(F)(F)C1 ZINC001162654736 1133100936 /nfs/dbraw/zinc/10/09/36/1133100936.db2.gz DQLJHWURWGYBBH-QMMMGPOBSA-N 0 1 269.270 3.549 20 0 CHADMN Cc1ccc(NCc2ccnc(C(F)(F)F)c2)nc1C ZINC001162735304 1133106646 /nfs/dbraw/zinc/10/66/46/1133106646.db2.gz LYHGHAZYBWYFGN-UHFFFAOYSA-N 0 1 281.281 3.724 20 0 CHADMN COc1cnccc1[C@@H](Nc1ccc2c(n1)CCC2)C1CC1 ZINC001163397839 1133148259 /nfs/dbraw/zinc/14/82/59/1133148259.db2.gz SAHPHFVDPAUMAA-SFHVURJKSA-N 0 1 295.386 3.537 20 0 CHADMN Cc1ccc(NC(=N)C23CC4CC(CC(C4)C2)C3)nc1N ZINC001163841568 1133177816 /nfs/dbraw/zinc/17/78/16/1133177816.db2.gz QRHYELWSSVMKHB-UHFFFAOYSA-N 0 1 284.407 3.578 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(O)ccc2Br)[C@H]1C ZINC000252153921 1133185608 /nfs/dbraw/zinc/18/56/08/1133185608.db2.gz MYXKZPTUFRAEOX-MNOVXSKESA-N 0 1 298.224 3.775 20 0 CHADMN Cc1cc2ccccc2c(N2C[C@@H](C)C[C@H]2CF)n1 ZINC001164260155 1133210784 /nfs/dbraw/zinc/21/07/84/1133210784.db2.gz MOWZQYOIBDCIMY-FZMZJTMJSA-N 0 1 258.340 3.728 20 0 CHADMN CC(C)(C)c1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1 ZINC001204397482 1133237573 /nfs/dbraw/zinc/23/75/73/1133237573.db2.gz XLMYSWOHEWALME-CWRNSKLLSA-N 0 1 261.384 3.774 20 0 CHADMN FC(F)n1cccc1CN[C@H](c1ccccn1)C1CCC1 ZINC001206706472 1133248551 /nfs/dbraw/zinc/24/85/51/1133248551.db2.gz CHGBLQSWMLVTMN-HNNXBMFYSA-N 0 1 291.345 3.909 20 0 CHADMN COc1ccc2c(ccnc2N2CCC[C@@H](C)[C@@H]2C)c1 ZINC001166611180 1133274973 /nfs/dbraw/zinc/27/49/73/1133274973.db2.gz RQSRZSAEANSCBU-OLZOCXBDSA-N 0 1 270.376 3.868 20 0 CHADMN C[C@H]1N(C(=O)c2c(O)cccc2F)c2ccccc2C1(C)C ZINC001166722638 1133283697 /nfs/dbraw/zinc/28/36/97/1133283697.db2.gz YYZBHZFUKFOBNA-LLVKDONJSA-N 0 1 299.345 3.858 20 0 CHADMN CC(=CC(=O)OC(C)C)Nc1ccc2cnc(C)cc2c1 ZINC001166770862 1133284651 /nfs/dbraw/zinc/28/46/51/1133284651.db2.gz TUMVYXXTSGYEOK-JYRVWZFOSA-N 0 1 284.359 3.811 20 0 CHADMN Cc1cc(N(C)C)ncc1NCc1ccccc1C1CC1 ZINC001167039385 1133301345 /nfs/dbraw/zinc/30/13/45/1133301345.db2.gz ILVDRZZJBSHHFK-UHFFFAOYSA-N 0 1 281.403 3.946 20 0 CHADMN CCc1cc(CN2CC[C@H](c3cccc(Cl)c3)C2)on1 ZINC001203226361 1133306289 /nfs/dbraw/zinc/30/62/89/1133306289.db2.gz LUOZCJYNMJVXPX-ZDUSSCGKSA-N 0 1 290.794 3.880 20 0 CHADMN F[C@H]1CCCC[C@H]1NCc1cnc(-c2ccccc2)nc1 ZINC001203314714 1133314044 /nfs/dbraw/zinc/31/40/44/1133314044.db2.gz YRWQNRGQGNBBBA-JKSUJKDBSA-N 0 1 285.366 3.514 20 0 CHADMN CC(C)(F)CNCc1ccc(F)cc1C(F)(F)F ZINC001203326854 1133314581 /nfs/dbraw/zinc/31/45/81/1133314581.db2.gz IAROHAVDTQYOLC-UHFFFAOYSA-N 0 1 267.241 3.682 20 0 CHADMN F[C@H]1CCCN(Cc2ccccc2Br)CC1 ZINC001203319469 1133314606 /nfs/dbraw/zinc/31/46/06/1133314606.db2.gz YCHZZNOLDOXFQF-LBPRGKRZSA-N 0 1 286.188 3.773 20 0 CHADMN Fc1cccc(Cl)c1CN1CC[C@H](COCC2CC2)C1 ZINC001203408613 1133323418 /nfs/dbraw/zinc/32/34/18/1133323418.db2.gz CLEBCFLQGYZWLZ-ZDUSSCGKSA-N 0 1 297.801 3.728 20 0 CHADMN COc1ccccc1CN1CCC[C@H]1c1ccc(C)nc1 ZINC001203437757 1133328069 /nfs/dbraw/zinc/32/80/69/1133328069.db2.gz JUYDZJNQSUXGCX-KRWDZBQOSA-N 0 1 282.387 3.736 20 0 CHADMN COc1ccccc1CN1CCC[C@@H]1c1ccc(C)nc1 ZINC001203437758 1133328415 /nfs/dbraw/zinc/32/84/15/1133328415.db2.gz JUYDZJNQSUXGCX-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN Cc1ccnc(CNCc2cc(C)c3ncccc3c2)c1 ZINC001203517320 1133334133 /nfs/dbraw/zinc/33/41/33/1133334133.db2.gz QVKOMBVRNMWNIX-UHFFFAOYSA-N 0 1 277.371 3.536 20 0 CHADMN CCc1cccc(Nc2ccnc3cc(OC)ccc32)n1 ZINC001203525215 1133335152 /nfs/dbraw/zinc/33/51/52/1133335152.db2.gz XSEBHNRPSSHBAP-UHFFFAOYSA-N 0 1 279.343 3.944 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1ccc2c(c1)OCO2 ZINC001203525078 1133335599 /nfs/dbraw/zinc/33/55/99/1133335599.db2.gz PCYKXHSJWLMJPH-UHFFFAOYSA-N 0 1 294.310 3.716 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(C)cc(CO)c1 ZINC001203528422 1133337452 /nfs/dbraw/zinc/33/74/52/1133337452.db2.gz OBISKNXYKIGRIA-UHFFFAOYSA-N 0 1 294.354 3.788 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccc(F)c1CO ZINC001203528524 1133337592 /nfs/dbraw/zinc/33/75/92/1133337592.db2.gz QAMFLHNBVBTXNW-UHFFFAOYSA-N 0 1 298.317 3.618 20 0 CHADMN Cc1cc(Nc2ccc3cncnc3c2)c2ccccc2n1 ZINC001203697003 1133355045 /nfs/dbraw/zinc/35/50/45/1133355045.db2.gz XQFPRZOSPHMFJC-UHFFFAOYSA-N 0 1 286.338 3.652 20 0 CHADMN Cc1ccc(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)c(C)c1 ZINC001203729544 1133359855 /nfs/dbraw/zinc/35/98/55/1133359855.db2.gz PBVXJGVZULFBKW-SJORKVTESA-N 0 1 271.404 3.637 20 0 CHADMN Clc1cccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c1Cl ZINC001204184069 1133416993 /nfs/dbraw/zinc/41/69/93/1133416993.db2.gz ZGXQZGKYSJREKP-GXSJLCMTSA-N 0 1 256.176 3.978 20 0 CHADMN Clc1cccc(CN2C[C@H]3CC[C@@H]2C3)c1Cl ZINC001204184069 1133416995 /nfs/dbraw/zinc/41/69/95/1133416995.db2.gz ZGXQZGKYSJREKP-GXSJLCMTSA-N 0 1 256.176 3.978 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C)cc2C)c(OC)c1 ZINC001203739460 1133362776 /nfs/dbraw/zinc/36/27/76/1133362776.db2.gz KJCZRUFSPOUGNS-UHFFFAOYSA-N 0 1 299.414 3.953 20 0 CHADMN Cc1nc2c(s1)CN(Cc1c(C)cc(C)cc1C)CC2 ZINC001203745383 1133363564 /nfs/dbraw/zinc/36/35/64/1133363564.db2.gz SUAOJAHMQNTIJC-UHFFFAOYSA-N 0 1 286.444 3.935 20 0 CHADMN COc1cc(C)c(CN2CCc3ncc(C)cc3C2)cc1C ZINC001203757232 1133367204 /nfs/dbraw/zinc/36/72/04/1133367204.db2.gz CNMSIILLOBFHKT-UHFFFAOYSA-N 0 1 296.414 3.574 20 0 CHADMN O=C1c2ccccc2[C@@H]2CN(Cc3cccc(Cl)c3)C[C@H]12 ZINC001203797155 1133369999 /nfs/dbraw/zinc/36/99/99/1133369999.db2.gz GVNMHOIYOSCBAO-IRXDYDNUSA-N 0 1 297.785 3.752 20 0 CHADMN CCCOC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001203921160 1133385512 /nfs/dbraw/zinc/38/55/12/1133385512.db2.gz BBZPDMAMFWQXRW-UHFFFAOYSA-N 0 1 267.800 3.731 20 0 CHADMN Cc1cccc(CNC/C=C\Cl)c1Br ZINC001203960987 1133389991 /nfs/dbraw/zinc/38/99/91/1133389991.db2.gz LMEFYWYEVRTSGY-UTCJRWHESA-N 0 1 274.589 3.600 20 0 CHADMN FC1C[C@@H]2COC[C@H](C1)N2Cc1cccc2ccccc21 ZINC001203983335 1133393792 /nfs/dbraw/zinc/39/37/92/1133393792.db2.gz TVANACPUDULRSH-ALOPSCKCSA-N 0 1 285.362 3.541 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2ncccc2C)c1C ZINC001204037276 1133402304 /nfs/dbraw/zinc/40/23/04/1133402304.db2.gz GIUHYAVHZMHVHY-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN Cc1ccccc1-c1cccc(CNCc2cnccn2)c1 ZINC001204048501 1133404093 /nfs/dbraw/zinc/40/40/93/1133404093.db2.gz TXEFKCFPKBMKBX-UHFFFAOYSA-N 0 1 289.382 3.742 20 0 CHADMN CCOc1cc(CN2CCc3ccccc3[C@@H]2C)ccc1O ZINC001204127844 1133408881 /nfs/dbraw/zinc/40/88/81/1133408881.db2.gz MSNMLSRELNIHHL-AWEZNQCLSA-N 0 1 297.398 3.910 20 0 CHADMN c1c2cccnc2oc1CN1CC[C@@H]1c1ccccc1 ZINC001204146149 1133410627 /nfs/dbraw/zinc/41/06/27/1133410627.db2.gz SUFGOIDSWVHRAD-MRXNPFEDSA-N 0 1 264.328 3.775 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](Cc2ccccc2)C2CCC2)cc1 ZINC001204158364 1133412040 /nfs/dbraw/zinc/41/20/40/1133412040.db2.gz MEWCZQHYUDCYQC-UHFFFAOYSA-N 0 1 295.382 3.940 20 0 CHADMN CCOc1cncc(CN2CCC(C3CCCC3)CC2)c1 ZINC001204154883 1133412161 /nfs/dbraw/zinc/41/21/61/1133412161.db2.gz RTCQNCRHDNMQTO-UHFFFAOYSA-N 0 1 288.435 3.883 20 0 CHADMN Clc1cccc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c1Cl ZINC001204184054 1133416667 /nfs/dbraw/zinc/41/66/67/1133416667.db2.gz YYLHSOWPGGSKRL-GWCFXTLKSA-N 0 1 286.202 3.604 20 0 CHADMN Clc1cccc(CN2CC[C@@H]3OCC[C@H]3C2)c1Cl ZINC001204184054 1133416669 /nfs/dbraw/zinc/41/66/69/1133416669.db2.gz YYLHSOWPGGSKRL-GWCFXTLKSA-N 0 1 286.202 3.604 20 0 CHADMN Fc1cccc(CN2CCC[C@H]2Cc2ccccn2)c1F ZINC001204197586 1133417415 /nfs/dbraw/zinc/41/74/15/1133417415.db2.gz BQBWMBOLWGCEOQ-HNNXBMFYSA-N 0 1 288.341 3.567 20 0 CHADMN CC(C)C1CCN(Cc2ccc(F)cc2F)CC1 ZINC001204212969 1133419159 /nfs/dbraw/zinc/41/91/59/1133419159.db2.gz VRJVBOOCWUDKBD-UHFFFAOYSA-N 0 1 253.336 3.833 20 0 CHADMN Fc1cccc(F)c1CN1CC[C@H]2CCCC[C@H]2C1 ZINC001204205284 1133419359 /nfs/dbraw/zinc/41/93/59/1133419359.db2.gz OTWHHENTYKADNL-OLZOCXBDSA-N 0 1 265.347 3.977 20 0 CHADMN CCOc1ccc(CN2CCCC[C@@](C)(F)C2)cc1OC ZINC001204358209 1133439564 /nfs/dbraw/zinc/43/95/64/1133439564.db2.gz IVZXLCJVOWBVNZ-QGZVFWFLSA-N 0 1 295.398 3.808 20 0 CHADMN CCc1ccc(CN2CC[C@H](OCc3ccccc3)C2)o1 ZINC001204393501 1133442325 /nfs/dbraw/zinc/44/23/25/1133442325.db2.gz QHVIKPJOGRXLPH-KRWDZBQOSA-N 0 1 285.387 3.633 20 0 CHADMN CCc1ccc(CN2Cc3ccccc3C[C@H]2C)o1 ZINC001204395413 1133442382 /nfs/dbraw/zinc/44/23/82/1133442382.db2.gz OQYKJJFARTYWIO-CYBMUJFWSA-N 0 1 255.361 3.789 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2OC(F)(F)F)C2(CC2)C1 ZINC001204428331 1133446138 /nfs/dbraw/zinc/44/61/38/1133446138.db2.gz IDPSEMANEVXCBO-NSHDSACASA-N 0 1 285.309 3.960 20 0 CHADMN Clc1ccc(CN2CCC3(CCCO3)CC2)s1 ZINC001204445692 1133448987 /nfs/dbraw/zinc/44/89/87/1133448987.db2.gz NWUJPEAIXMJXOJ-UHFFFAOYSA-N 0 1 271.813 3.547 20 0 CHADMN c1cncc([C@@H]2CCCCN2Cc2ccc3c(c2)CCO3)c1 ZINC001204493392 1133453688 /nfs/dbraw/zinc/45/36/88/1133453688.db2.gz NOBYJFROKLQRME-SFHVURJKSA-N 0 1 294.398 3.744 20 0 CHADMN Cc1c(F)cccc1CN1CCC[C@@H]1c1ccccn1 ZINC001204510265 1133455292 /nfs/dbraw/zinc/45/52/92/1133455292.db2.gz KHXOTBIJSAQVOP-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1cc(F)c(F)c(F)c1 ZINC001204527826 1133457319 /nfs/dbraw/zinc/45/73/19/1133457319.db2.gz ZVRJJQFDFWQVOB-AOOOYVTPSA-N 0 1 257.299 3.867 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cccc3c2OCO3)c1 ZINC001204523507 1133457301 /nfs/dbraw/zinc/45/73/01/1133457301.db2.gz AIDUDYWOSMTKCM-UHFFFAOYSA-N 0 1 283.371 3.664 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(F)c(F)c(F)c2)CC1 ZINC001204525707 1133458367 /nfs/dbraw/zinc/45/83/67/1133458367.db2.gz UOQNYLRKDUFGCA-SNVBAGLBSA-N 0 1 257.299 3.726 20 0 CHADMN COc1cccc([C@H]2CCCN(Cc3nccs3)C2)c1 ZINC001204549047 1133461017 /nfs/dbraw/zinc/46/10/17/1133461017.db2.gz CNFSSINIHHVCAL-AWEZNQCLSA-N 0 1 288.416 3.531 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1Cc1cn(C2CC2)cn1 ZINC001204657250 1133472137 /nfs/dbraw/zinc/47/21/37/1133472137.db2.gz CWEWQLFCDOSVJS-GOSISDBHSA-N 0 1 281.403 3.864 20 0 CHADMN C[C@H]1CN(Cc2cnn(CC3CCC3)c2)[C@H]1c1ccccc1 ZINC001204681658 1133475439 /nfs/dbraw/zinc/47/54/39/1133475439.db2.gz LGNNAYNSZJWJDL-HNAYVOBHSA-N 0 1 295.430 3.876 20 0 CHADMN C[C@@H]1CCC[C@@H](C)[N@H+](Cc2ccc([O-])c(F)c2)C1 ZINC001204777694 1133484017 /nfs/dbraw/zinc/48/40/17/1133484017.db2.gz XJXZHMCVQGNQHO-VXGBXAGGSA-N 0 1 251.345 3.542 20 0 CHADMN C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2ccc([O-])c(F)c2)C1 ZINC001204777694 1133484020 /nfs/dbraw/zinc/48/40/20/1133484020.db2.gz XJXZHMCVQGNQHO-VXGBXAGGSA-N 0 1 251.345 3.542 20 0 CHADMN COc1c(Cl)cc(-c2[nH]ccc3ncnc2-3)cc1Cl ZINC001204801853 1133487255 /nfs/dbraw/zinc/48/72/55/1133487255.db2.gz ZIJVWWMYYZIITM-UHFFFAOYSA-N 0 1 294.141 3.940 20 0 CHADMN COc1c(Cl)cc(-c2nccc3[nH]cnc32)cc1Cl ZINC001204801853 1133487257 /nfs/dbraw/zinc/48/72/57/1133487257.db2.gz ZIJVWWMYYZIITM-UHFFFAOYSA-N 0 1 294.141 3.940 20 0 CHADMN FC(F)Oc1cccc(CN2CCCC[C@H](F)C2)c1 ZINC001204818193 1133489223 /nfs/dbraw/zinc/48/92/23/1133489223.db2.gz WMAIVISJRYFDRJ-LBPRGKRZSA-N 0 1 273.298 3.612 20 0 CHADMN CC[C@H](C)[C@H](CN1C[C@H](C)O[C@@H](c2ccccc2)C1)OC ZINC001204899201 1133496891 /nfs/dbraw/zinc/49/68/91/1133496891.db2.gz PFYWFBKWPZQYRN-UOVPBQLFSA-N 0 1 291.435 3.510 20 0 CHADMN COc1ccc(CN2CC[C@H](C)C(F)(F)CC2)c(F)c1 ZINC001204900502 1133498160 /nfs/dbraw/zinc/49/81/60/1133498160.db2.gz YSAKQVKAVPLSCH-NSHDSACASA-N 0 1 287.325 3.702 20 0 CHADMN COc1ccc(CN(C)Cc2ccc(C)cc2)c(F)c1 ZINC001204921797 1133500064 /nfs/dbraw/zinc/50/00/64/1133500064.db2.gz AYIRTSDIYBRVSJ-UHFFFAOYSA-N 0 1 273.351 3.775 20 0 CHADMN COc1ccc(CN(C)[C@H]2CCc3ccccc32)c(F)c1 ZINC001204947255 1133506241 /nfs/dbraw/zinc/50/62/41/1133506241.db2.gz HTJVBQKEAVGVRL-SFHVURJKSA-N 0 1 285.362 3.954 20 0 CHADMN COc1cc(F)cc(OC)c1CN1C[C@H](C)CC(C)(C)C1 ZINC001204961129 1133508038 /nfs/dbraw/zinc/50/80/38/1133508038.db2.gz NCZLAGCRETYGSY-GFCCVEGCSA-N 0 1 295.398 3.711 20 0 CHADMN CC(C)[C@H]1CCN1Cc1cccc(OC2CC2)c1F ZINC001204975472 1133509929 /nfs/dbraw/zinc/50/99/29/1133509929.db2.gz JUUWQSNZPHETGL-CQSZACIVSA-N 0 1 263.356 3.597 20 0 CHADMN Brc1ccc(CN2CCCCCCC2)cn1 ZINC001205106649 1133530429 /nfs/dbraw/zinc/53/04/29/1133530429.db2.gz AJNSAOFJPRCOGS-UHFFFAOYSA-N 0 1 283.213 3.610 20 0 CHADMN Nc1ccnc(Cl)c1CN1CCC2(CCCCC2)CC1 ZINC001205171457 1133540966 /nfs/dbraw/zinc/54/09/66/1133540966.db2.gz RMGDBXQNAZFBLP-UHFFFAOYSA-N 0 1 293.842 3.864 20 0 CHADMN Cc1ccc(CN2CCCC[C@](C)(F)C2)cc1F ZINC001205215152 1133547258 /nfs/dbraw/zinc/54/72/58/1133547258.db2.gz LGIWITZDQAIDTA-HNNXBMFYSA-N 0 1 253.336 3.848 20 0 CHADMN FC(F)[C@H]1CCCN(Cc2sccc2Cl)C1 ZINC001205339353 1133564799 /nfs/dbraw/zinc/56/47/99/1133564799.db2.gz HGERUXGIVRSGNV-QMMMGPOBSA-N 0 1 265.756 3.879 20 0 CHADMN FC(F)[C@@H]1CCCN(Cc2ccc(C(F)(F)F)nc2)C1 ZINC001205431162 1133576932 /nfs/dbraw/zinc/57/69/32/1133576932.db2.gz WMTGCQLLKICAKG-SNVBAGLBSA-N 0 1 294.267 3.578 20 0 CHADMN CC(C)C1CN(Cc2ccc(OC(F)F)cc2F)C1 ZINC001205542346 1133587341 /nfs/dbraw/zinc/58/73/41/1133587341.db2.gz ZQZQDZULWDVGIT-UHFFFAOYSA-N 0 1 273.298 3.515 20 0 CHADMN CCn1cc(CN(Cc2cccc(C)c2C)C2CC2)cn1 ZINC001205557258 1133588612 /nfs/dbraw/zinc/58/86/12/1133588612.db2.gz LYJSCPQXXKGTGT-UHFFFAOYSA-N 0 1 283.419 3.684 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3nccn3C3CC3)C2)cc1 ZINC001205568500 1133589707 /nfs/dbraw/zinc/58/97/07/1133589707.db2.gz JOOHQYDDIALQNN-WBVHZDCISA-N 0 1 295.430 3.904 20 0 CHADMN Cc1ccc(F)c(CN2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c1 ZINC001205616130 1133595216 /nfs/dbraw/zinc/59/52/16/1133595216.db2.gz CLSLKRRQFWBXEF-IRXDYDNUSA-N 0 1 295.357 3.546 20 0 CHADMN C[C@H]1C(=O)CCN(Cc2ccc3[nH]ccc3c2)C12CCCC2 ZINC001205612233 1133595541 /nfs/dbraw/zinc/59/55/41/1133595541.db2.gz SRVNTPCSEVXBMO-AWEZNQCLSA-N 0 1 296.414 3.892 20 0 CHADMN Fc1ccc(-c2cc3[nH]cnc3cn2)c(Cl)c1F ZINC001205623260 1133596578 /nfs/dbraw/zinc/59/65/78/1133596578.db2.gz GBRRFQNWIZJMFK-UHFFFAOYSA-N 0 1 265.650 3.557 20 0 CHADMN CCCC1CCC([N@@H+](C)Cc2ccn(CC)n2)CC1 ZINC001205639649 1133597325 /nfs/dbraw/zinc/59/73/25/1133597325.db2.gz HKEPFAOYKGYKLL-UHFFFAOYSA-N 0 1 263.429 3.694 20 0 CHADMN COc1nsc(CN(C)[C@@H]2CCCC[C@H]2C)c1Cl ZINC001205741245 1133609090 /nfs/dbraw/zinc/60/90/90/1133609090.db2.gz WSPUPCXDFCOCPC-NXEZZACHSA-N 0 1 288.844 3.816 20 0 CHADMN CC(C)(C)N1CC(OCc2ccc3ccccc3c2)C1 ZINC001205762287 1133610312 /nfs/dbraw/zinc/61/03/12/1133610312.db2.gz OPVMFECSBUJCOZ-UHFFFAOYSA-N 0 1 269.388 3.839 20 0 CHADMN Cc1cccnc1CN(C)Cc1cccc2cccnc21 ZINC001205800489 1133615327 /nfs/dbraw/zinc/61/53/27/1133615327.db2.gz VJCYXSWIHVMZGB-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Fc1cccnc1CNC1(Cc2cccc(Cl)c2)CC1 ZINC001205832372 1133620417 /nfs/dbraw/zinc/62/04/17/1133620417.db2.gz MYBIQMGDPBLNKW-UHFFFAOYSA-N 0 1 290.769 3.739 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)nc2)[C@@H]1C ZINC001206016217 1133642181 /nfs/dbraw/zinc/64/21/81/1133642181.db2.gz OYQDGVHBXALXNY-CHWSQXEVSA-N 0 1 286.350 3.853 20 0 CHADMN CSc1ccc(CN2CC(C)(C)[C@@H]2C(C)C)o1 ZINC001206039807 1133646560 /nfs/dbraw/zinc/64/65/60/1133646560.db2.gz IOXBRJHAHMYWTH-ZDUSSCGKSA-N 0 1 253.411 3.868 20 0 CHADMN CCCCOc1ccc(-c2cccc3[nH]nnc32)c(F)c1 ZINC001206118888 1133660661 /nfs/dbraw/zinc/66/06/61/1133660661.db2.gz MMGRTLDKMWGOPN-UHFFFAOYSA-N 0 1 285.322 3.943 20 0 CHADMN CCC1CN(Cc2ccc(C)c(Br)c2C)C1 ZINC001206160057 1133665624 /nfs/dbraw/zinc/66/56/24/1133665624.db2.gz WLQSJBPYELSJCY-UHFFFAOYSA-N 0 1 282.225 3.908 20 0 CHADMN COc1ccc(F)c(CN2CC(Cc3ccccc3)C2)c1 ZINC001206173867 1133667006 /nfs/dbraw/zinc/66/70/06/1133667006.db2.gz CNNMHYIVWVAQGD-UHFFFAOYSA-N 0 1 285.362 3.509 20 0 CHADMN Cc1cc(CN2CC[C@@H]3[C@H](C2)C3(F)F)ccc1Cl ZINC001206203723 1133670030 /nfs/dbraw/zinc/67/00/30/1133670030.db2.gz CCIMKBXPCYMSRA-NEPJUHHUSA-N 0 1 271.738 3.735 20 0 CHADMN Cc1cc(F)ccc1[C@H]1CCC[N@H+]1Cc1ccc(=O)[nH]c1 ZINC001206276783 1133681267 /nfs/dbraw/zinc/68/12/67/1133681267.db2.gz PIRKPSLNXBWEII-MRXNPFEDSA-N 0 1 286.350 3.572 20 0 CHADMN C[N@H+]1CC[C@@H](c2ccc(-c3csc(C(=O)[O-])c3)cc2)C1 ZINC001206303236 1133686905 /nfs/dbraw/zinc/68/69/05/1133686905.db2.gz HMSNJIQKKLDRCK-CYBMUJFWSA-N 0 1 287.384 3.532 20 0 CHADMN CC[C@H]1CCCC[C@H]1CN1Cc2ccccc2NC(=O)C1 ZINC001206456802 1133704720 /nfs/dbraw/zinc/70/47/20/1133704720.db2.gz PXACDPYPSPGFAA-GJZGRUSLSA-N 0 1 286.419 3.657 20 0 CHADMN COc1cnccc1CN1CCC(c2cccs2)CC1 ZINC001206473554 1133706621 /nfs/dbraw/zinc/70/66/21/1133706621.db2.gz RWFBBXZFQBQKCQ-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN CC(C)CCCN1CC(O)(c2cccc3ccccc32)C1 ZINC001206476595 1133708061 /nfs/dbraw/zinc/70/80/61/1133708061.db2.gz IOWUHIZNCSJMLA-UHFFFAOYSA-N 0 1 283.415 3.779 20 0 CHADMN CCN(C)C(=O)c1cccc(-c2ccc3nc(C)[nH]c3c2)c1 ZINC001206492793 1133709758 /nfs/dbraw/zinc/70/97/58/1133709758.db2.gz DWYSUCGUHCVZLN-UHFFFAOYSA-N 0 1 293.370 3.630 20 0 CHADMN C[C@H]1CCCN(Cc2ccc(Br)cn2)C[C@H]1C ZINC001206499449 1133711142 /nfs/dbraw/zinc/71/11/42/1133711142.db2.gz DHPLLXOQIPVQKQ-NWDGAFQWSA-N 0 1 297.240 3.712 20 0 CHADMN Cc1c(Cl)cc(Nc2cc[nH+]c(N)c2)c([O-])c1Cl ZINC001206568128 1133719621 /nfs/dbraw/zinc/71/96/21/1133719621.db2.gz IVXCIGMGBKZUQG-UHFFFAOYSA-N 0 1 284.146 3.728 20 0 CHADMN CCN(Cc1ccc(C)c(C)c1)Cc1cccnc1OC ZINC001206596225 1133724250 /nfs/dbraw/zinc/72/42/50/1133724250.db2.gz VJPHXUAVUHURBI-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN COc1cccnc1CN1CCC[C@@H]1c1ccc(C)cc1 ZINC001206644073 1133729838 /nfs/dbraw/zinc/72/98/38/1133729838.db2.gz HPIPRJUGCPRNSH-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN Cc1cccc2ncnc(-c3cc(F)c(O)cc3F)c12 ZINC001206762478 1133744316 /nfs/dbraw/zinc/74/43/16/1133744316.db2.gz XYZNBQVRBVWDTJ-UHFFFAOYSA-N 0 1 272.254 3.589 20 0 CHADMN Oc1cc(F)c(-c2cc(-c3ccncc3)ccn2)cc1F ZINC001206762493 1133744680 /nfs/dbraw/zinc/74/46/80/1133744680.db2.gz YPCZPCGIICLAOX-UHFFFAOYSA-N 0 1 284.265 3.794 20 0 CHADMN COc1cc(CN2CC(Cc3ccsc3)C2)ccc1C ZINC001206779840 1133748780 /nfs/dbraw/zinc/74/87/80/1133748780.db2.gz LDFLVUWEDABPQZ-UHFFFAOYSA-N 0 1 287.428 3.740 20 0 CHADMN CCC[C@H](CNCc1cncc(Cl)c1Cl)OCC ZINC001206799317 1133749918 /nfs/dbraw/zinc/74/99/18/1133749918.db2.gz DFMUWUWGIGZIOV-LLVKDONJSA-N 0 1 291.222 3.683 20 0 CHADMN CC1(C)CCN(Cc2cc(-c3ccc(F)cc3)on2)C1 ZINC001206833494 1133753909 /nfs/dbraw/zinc/75/39/09/1133753909.db2.gz JEDVQLISTBDMTI-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3cc(-c4ccc(F)cc4)on3)C[C@@H]21 ZINC001206836024 1133754093 /nfs/dbraw/zinc/75/40/93/1133754093.db2.gz HEPLQBPURNBNIY-GASCZTMLSA-N 0 1 286.350 3.569 20 0 CHADMN CCCCCN(C)Cc1cc(-c2ccccc2)on1 ZINC001206839905 1133754212 /nfs/dbraw/zinc/75/42/12/1133754212.db2.gz RBYGOYGAPXFFHF-UHFFFAOYSA-N 0 1 258.365 3.964 20 0 CHADMN Fc1cncc(F)c1CN1CCC[C@H]2CCCC[C@H]21 ZINC001206861929 1133756949 /nfs/dbraw/zinc/75/69/49/1133756949.db2.gz CFNJUEGKJRVVDQ-IAQYHMDHSA-N 0 1 266.335 3.514 20 0 CHADMN COc1cncc(CN2CCC(c3cccs3)CC2)c1 ZINC001206995144 1133759222 /nfs/dbraw/zinc/75/92/22/1133759222.db2.gz LUOLABREUPDZRD-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2ncc3ccccn32)c1 ZINC001207049261 1133763220 /nfs/dbraw/zinc/76/32/20/1133763220.db2.gz RHIHHKMPELWUOJ-GOSISDBHSA-N 0 1 291.398 3.980 20 0 CHADMN CCCC[N@H+](Cc1ccccc1)Cc1cccc(=O)[nH]1 ZINC001207069335 1133764700 /nfs/dbraw/zinc/76/47/00/1133764700.db2.gz OPZTUJUAJXIYRO-UHFFFAOYSA-N 0 1 270.376 3.590 20 0 CHADMN CCc1nccc(CN2CCC[C@@H]2c2ccc(C)cc2)n1 ZINC001207085379 1133765583 /nfs/dbraw/zinc/76/55/83/1133765583.db2.gz BUZZTMVJNDIRMB-QGZVFWFLSA-N 0 1 281.403 3.685 20 0 CHADMN CN(Cc1c(F)cccc1OC(F)F)C[C@H]1CC1(C)C ZINC001207118182 1133768659 /nfs/dbraw/zinc/76/86/59/1133768659.db2.gz JNWIXXZYDPTHTJ-SNVBAGLBSA-N 0 1 287.325 3.905 20 0 CHADMN CC(C)(CN1CCO[C@@H]2C[C@@H]21)Sc1ccc(Cl)cc1 ZINC001207299698 1133790509 /nfs/dbraw/zinc/79/05/09/1133790509.db2.gz MYMQCSKEAWHSOT-UONOGXRCSA-N 0 1 297.851 3.684 20 0 CHADMN C[C@H]1CN(CCc2ccccc2F)[C@@H](c2ccccc2)CO1 ZINC001207502926 1133809566 /nfs/dbraw/zinc/80/95/66/1133809566.db2.gz NZPVPMQEZGGBET-HNAYVOBHSA-N 0 1 299.389 3.830 20 0 CHADMN CC(C)c1ccc(CCN2CCn3cccc3C2)cc1 ZINC001207502480 1133810544 /nfs/dbraw/zinc/81/05/44/1133810544.db2.gz VBHSXLWEYGFGIS-UHFFFAOYSA-N 0 1 268.404 3.670 20 0 CHADMN CC(C)OC1CN(CC(c2ccccc2)c2ccccc2)C1 ZINC001207526547 1133816414 /nfs/dbraw/zinc/81/64/14/1133816414.db2.gz QHKZQRIGRONGSY-UHFFFAOYSA-N 0 1 295.426 3.928 20 0 CHADMN F[C@@H]1COc2ccccc2[C@@H]1NC[C@@H]1C[C@@H]1c1ccccc1 ZINC001207534941 1133818544 /nfs/dbraw/zinc/81/85/44/1133818544.db2.gz BTHYRCFOGWHKHB-WFEDQXDTSA-N 0 1 297.373 3.852 20 0 CHADMN C[C@H]1CCN(CCCc2cccc(Cl)c2)CCC1=O ZINC001207583280 1133822110 /nfs/dbraw/zinc/82/21/10/1133822110.db2.gz DCELYXOSEPVLCM-ZDUSSCGKSA-N 0 1 279.811 3.574 20 0 CHADMN c1ccc2oc(CNC3CC4(C3)CCCC4)nc2c1 ZINC001207611883 1133830100 /nfs/dbraw/zinc/83/01/00/1133830100.db2.gz JIRRKARQBLNRGC-UHFFFAOYSA-N 0 1 256.349 3.640 20 0 CHADMN O=C1C[C@H]2CCC[C@@H](C1)N2CCCCc1ccccc1 ZINC001207616682 1133832702 /nfs/dbraw/zinc/83/27/02/1133832702.db2.gz HVDXXECJOOLTTR-CALCHBBNSA-N 0 1 271.404 3.595 20 0 CHADMN Cc1cc2c(cn1)CN(CC[C@@H](C)CCCC(C)(C)O)C2 ZINC001207678340 1133837582 /nfs/dbraw/zinc/83/75/82/1133837582.db2.gz JYJOCHBDHXFKPS-AWEZNQCLSA-N 0 1 290.451 3.673 20 0 CHADMN CCc1ccc2c(c1)CCN(Cc1cnccc1C)C2 ZINC001207844847 1133852698 /nfs/dbraw/zinc/85/26/98/1133852698.db2.gz RZHBCTRSIVFBNK-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN Clc1ccc([C@H]2CCCN2C[C@H]2CCCO2)s1 ZINC001207860969 1133854862 /nfs/dbraw/zinc/85/48/62/1133854862.db2.gz LCWZBNUQCPHBQU-GHMZBOCLSA-N 0 1 271.813 3.717 20 0 CHADMN CCc1ccc2c(c1)CN(C[C@@H]1CC1(Cl)Cl)CC2 ZINC001207861972 1133855551 /nfs/dbraw/zinc/85/55/51/1133855551.db2.gz NADLGAXPXBZFLE-AWEZNQCLSA-N 0 1 284.230 3.801 20 0 CHADMN COc1cc2c(cc1OC)CN(C[C@@H](C)c1ccccc1)C2 ZINC001207914317 1133864139 /nfs/dbraw/zinc/86/41/39/1133864139.db2.gz SIFIGFQNLMUHNS-CQSZACIVSA-N 0 1 297.398 3.823 20 0 CHADMN CC(C)=CCCC1=CC[C@@H](CN2CC3(CCO3)C2)CC1 ZINC001207938973 1133869336 /nfs/dbraw/zinc/86/93/36/1133869336.db2.gz YASFRFUHHMBWOJ-QGZVFWFLSA-N 0 1 275.436 3.934 20 0 CHADMN CC[C@@H]1CO[C@](C)(CCC(C)C)N1CCCn1cccn1 ZINC001208079874 1133875382 /nfs/dbraw/zinc/87/53/82/1133875382.db2.gz XYZBUEYXRXROBU-IAGOWNOFSA-N 0 1 293.455 3.536 20 0 CHADMN CC1=C[C@H](C)[C@@H](CN2CCn3cccc3[C@H]2C)CC1 ZINC001208182949 1133900567 /nfs/dbraw/zinc/90/05/67/1133900567.db2.gz WHBNSWATUKXBNX-ARFHVFGLSA-N 0 1 258.409 3.857 20 0 CHADMN CC1=C[C@H](C)[C@H](CN2CCn3cccc3[C@@H]2C)CC1 ZINC001208182953 1133900831 /nfs/dbraw/zinc/90/08/31/1133900831.db2.gz WHBNSWATUKXBNX-JYJNAYRXSA-N 0 1 258.409 3.857 20 0 CHADMN COC(C)(C)CCC[C@H](C)CCN1CCC(=O)[C@@H](C)C1 ZINC001208201241 1133905901 /nfs/dbraw/zinc/90/59/01/1133905901.db2.gz AMSWCXYHXMCOGL-GJZGRUSLSA-N 0 1 283.456 3.519 20 0 CHADMN COC(C)(C)CCC[C@@H](C)CCN1CCC(=O)[C@H](C)C1 ZINC001208201242 1133906032 /nfs/dbraw/zinc/90/60/32/1133906032.db2.gz AMSWCXYHXMCOGL-HUUCEWRRSA-N 0 1 283.456 3.519 20 0 CHADMN C[C@H]1C(=O)CCN(CCc2cccc(F)c2)C12CCCC2 ZINC001208203612 1133907964 /nfs/dbraw/zinc/90/79/64/1133907964.db2.gz QKWFZRQHHJVYAK-AWEZNQCLSA-N 0 1 289.394 3.592 20 0 CHADMN C[C@]1(c2ccc(Cl)cc2)CN(CCC2CC2)CCO1 ZINC001208689222 1133927800 /nfs/dbraw/zinc/92/78/00/1133927800.db2.gz ZCZJNPCHPLDMLU-MRXNPFEDSA-N 0 1 279.811 3.688 20 0 CHADMN COC1(C)CN(C[C@@H](C)c2cccc3ccccc32)C1 ZINC001208707906 1133932841 /nfs/dbraw/zinc/93/28/41/1133932841.db2.gz VDXCIJXZYFKSBR-CQSZACIVSA-N 0 1 269.388 3.664 20 0 CHADMN C[C@@H](C(=O)OC(C)(C)C)N(C)CC1(C)CCCCC1 ZINC001208902087 1133960402 /nfs/dbraw/zinc/96/04/02/1133960402.db2.gz HKPYVWSFSVCAKA-ZDUSSCGKSA-N 0 1 269.429 3.619 20 0 CHADMN CCC(=O)C(C)(C)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC001208916399 1133961915 /nfs/dbraw/zinc/96/19/15/1133961915.db2.gz RRAACHALDHRHJR-UHFFFAOYSA-N 0 1 279.811 3.703 20 0 CHADMN CCC(=O)C(C)(C)CN1CCc2ccc(Cl)cc2C1 ZINC001208916399 1133961920 /nfs/dbraw/zinc/96/19/20/1133961920.db2.gz RRAACHALDHRHJR-UHFFFAOYSA-N 0 1 279.811 3.703 20 0 CHADMN CC(=O)c1ccc(C(F)(F)F)cc1NC1=CCN(C)CC1 ZINC001208910250 1133962030 /nfs/dbraw/zinc/96/20/30/1133962030.db2.gz MCBDHRYPJOEMDE-UHFFFAOYSA-N 0 1 298.308 3.539 20 0 CHADMN CCOC(C)(C)CN1CCn2cccc2[C@@H]1c1ccccc1 ZINC001209066399 1133972831 /nfs/dbraw/zinc/97/28/31/1133972831.db2.gz DTPDGYFGJKHPIB-SFHVURJKSA-N 0 1 298.430 3.708 20 0 CHADMN C[C@@H]1COCCN(CCc2ccc(Cl)cc2Cl)C1 ZINC001209079199 1133972837 /nfs/dbraw/zinc/97/28/37/1133972837.db2.gz QWUNOKWGLPLWDE-NSHDSACASA-N 0 1 288.218 3.504 20 0 CHADMN F[C@@H]1CN(CCc2cccc(C(F)(F)F)c2)C[C@@H]2C[C@@H]21 ZINC001209121758 1133977383 /nfs/dbraw/zinc/97/73/83/1133977383.db2.gz JWVIKDLZCMBJCH-FPMFFAJLSA-N 0 1 287.300 3.538 20 0 CHADMN Fc1cc(F)cc(CC[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC001209136347 1133980488 /nfs/dbraw/zinc/98/04/88/1133980488.db2.gz NLTUGXDOEJVICL-NSHDSACASA-N 0 1 293.279 3.782 20 0 CHADMN Fc1cc(F)cc(CCN2CCC[C@H](C(F)(F)F)C2)c1 ZINC001209136347 1133980491 /nfs/dbraw/zinc/98/04/91/1133980491.db2.gz NLTUGXDOEJVICL-NSHDSACASA-N 0 1 293.279 3.782 20 0 CHADMN c1csc(CC[N@H+]2CCC[C@@H]2c2nccs2)c1 ZINC001209227654 1133991215 /nfs/dbraw/zinc/99/12/15/1133991215.db2.gz SRDSQFLQCNWMIS-GFCCVEGCSA-N 0 1 264.419 3.584 20 0 CHADMN C[C@@H]1C[C@@H](C)CC[N@H+]1CCc1cc(F)c(F)cc1F ZINC001209254425 1133997024 /nfs/dbraw/zinc/99/70/24/1133997024.db2.gz IZYHYQZCWMHQKI-WDEREUQCSA-N 0 1 271.326 3.767 20 0 CHADMN CC/C=C\CCCCCCN1CCN(CC(F)F)CC1 ZINC001209288749 1134004202 /nfs/dbraw/zinc/00/42/02/1134004202.db2.gz OHWWEUVTYFNKQV-ARJAWSKDSA-N 0 1 288.426 3.786 20 0 CHADMN COC1CCC(CN2CCc3c4ccccc4oc3C2)CC1 ZINC001209400775 1134013439 /nfs/dbraw/zinc/01/34/39/1134013439.db2.gz YLDCPLUCXXNFFJ-UHFFFAOYSA-N 0 1 299.414 3.996 20 0 CHADMN Cc1ccc2[nH]cc(CN3CCC(=O)[C@H]4CCCC[C@@H]43)c2c1 ZINC001209489543 1134027787 /nfs/dbraw/zinc/02/77/87/1134027787.db2.gz JJFIOGUSSIDOSY-YJBOKZPZSA-N 0 1 296.414 3.810 20 0 CHADMN Cc1cccc2c(CN3CC4(C3)C[C@@H](F)CS4)c[nH]c21 ZINC001209492207 1134028192 /nfs/dbraw/zinc/02/81/92/1134028192.db2.gz DLMPKRKNUZJAOI-CYBMUJFWSA-N 0 1 290.407 3.506 20 0 CHADMN Cc1nc2c(s1)CN(Cc1c[nH]c3ccc(C)cc13)CC2 ZINC001209497470 1134029806 /nfs/dbraw/zinc/02/98/06/1134029806.db2.gz RRXLERSNTBBJGT-UHFFFAOYSA-N 0 1 297.427 3.800 20 0 CHADMN COc1ccccc1CN(C)Cc1ccc2cc[nH]c2c1 ZINC001209512503 1134032970 /nfs/dbraw/zinc/03/29/70/1134032970.db2.gz IGJFBZSGWJYHEA-UHFFFAOYSA-N 0 1 280.371 3.809 20 0 CHADMN COc1cccc([C@@H]2CCCCN2Cc2cncs2)c1 ZINC001209550111 1134035910 /nfs/dbraw/zinc/03/59/10/1134035910.db2.gz LGUOJDJLSVSGCT-INIZCTEOSA-N 0 1 288.416 3.879 20 0 CHADMN CCN(Cc1c[nH]nc1C)Cc1cccc(C(F)(F)F)c1 ZINC001209559298 1134036705 /nfs/dbraw/zinc/03/67/05/1134036705.db2.gz UBJVLZSKOOHTKR-UHFFFAOYSA-N 0 1 297.324 3.759 20 0 CHADMN Cc1ccc(CN2CC=C(c3ccccc3)CC2)[nH]1 ZINC001209578200 1134039837 /nfs/dbraw/zinc/03/98/37/1134039837.db2.gz HYCDTDAOYKALOI-UHFFFAOYSA-N 0 1 252.361 3.612 20 0 CHADMN Clc1c[nH]c2cccc(CN3CC4(CCC4)C3)c12 ZINC001209656349 1134046616 /nfs/dbraw/zinc/04/66/16/1134046616.db2.gz GLGDVLUYTZXCMQ-UHFFFAOYSA-N 0 1 260.768 3.807 20 0 CHADMN CN(Cc1cncs1)Cc1cccc2[nH]cc(Cl)c21 ZINC001209659570 1134049820 /nfs/dbraw/zinc/04/98/20/1134049820.db2.gz PALXEGGTXCSYRS-UHFFFAOYSA-N 0 1 291.807 3.910 20 0 CHADMN FC1CCN(Cc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001209718919 1134053485 /nfs/dbraw/zinc/05/34/85/1134053485.db2.gz RSLSBYWKYRYYIE-UHFFFAOYSA-N 0 1 266.747 3.755 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2cc(Cl)ccc2[nH]1 ZINC001209720972 1134054504 /nfs/dbraw/zinc/05/45/04/1134054504.db2.gz WUYPHWVXGVKZOS-OKILXGFUSA-N 0 1 288.778 3.517 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1cc2cc(Cl)ccc2[nH]1 ZINC001209720972 1134054512 /nfs/dbraw/zinc/05/45/12/1134054512.db2.gz WUYPHWVXGVKZOS-OKILXGFUSA-N 0 1 288.778 3.517 20 0 CHADMN CC1(C)CCN(Cc2[nH]nc3ccc(Cl)cc32)CC1 ZINC001209755960 1134061003 /nfs/dbraw/zinc/06/10/03/1134061003.db2.gz SMNKQCFPURXTDX-UHFFFAOYSA-N 0 1 277.799 3.838 20 0 CHADMN CC1(C)CCN(Cc2n[nH]c3ccc(Cl)cc32)CC1 ZINC001209755960 1134061010 /nfs/dbraw/zinc/06/10/10/1134061010.db2.gz SMNKQCFPURXTDX-UHFFFAOYSA-N 0 1 277.799 3.838 20 0 CHADMN Clc1ccc2[nH]nc(CN3CCC[C@@H]4CCC[C@H]43)c2c1 ZINC001209756171 1134061320 /nfs/dbraw/zinc/06/13/20/1134061320.db2.gz VHPWTZKMMLZPQO-MEDUHNTESA-N 0 1 289.810 3.981 20 0 CHADMN Clc1ccc2n[nH]c(CN3CCC[C@@H]4CCC[C@H]43)c2c1 ZINC001209756171 1134061327 /nfs/dbraw/zinc/06/13/27/1134061327.db2.gz VHPWTZKMMLZPQO-MEDUHNTESA-N 0 1 289.810 3.981 20 0 CHADMN CC[C@H]1CCCCN1Cc1n[nH]c2ccc(Cl)cc21 ZINC001209759057 1134062146 /nfs/dbraw/zinc/06/21/46/1134062146.db2.gz MQJIBYIXANRYDH-LBPRGKRZSA-N 0 1 277.799 3.981 20 0 CHADMN COc1ccc2oc(CN3CC[C@@H](C(F)(F)F)C3)cc2c1 ZINC001209770888 1134063529 /nfs/dbraw/zinc/06/35/29/1134063529.db2.gz APXWAFCEDYVHTK-LLVKDONJSA-N 0 1 299.292 3.826 20 0 CHADMN Cc1ccc(-c2cc(Nc3ncccc3F)on2)cc1 ZINC001209804704 1134067635 /nfs/dbraw/zinc/06/76/35/1134067635.db2.gz DOUFONOEJROFNL-UHFFFAOYSA-N 0 1 269.279 3.928 20 0 CHADMN Fc1cccnc1Nc1cc(-c2cccs2)no1 ZINC001209806456 1134068895 /nfs/dbraw/zinc/06/88/95/1134068895.db2.gz SOJOCLBASZSXRO-UHFFFAOYSA-N 0 1 261.281 3.681 20 0 CHADMN CC(=O)c1ccnc(Cl)c1Nc1ccc2nc[nH]c2c1 ZINC001209842067 1134078959 /nfs/dbraw/zinc/07/89/59/1134078959.db2.gz ASGMCIZLEMPORI-UHFFFAOYSA-N 0 1 286.722 3.558 20 0 CHADMN c1nc2ccc(Nc3cnccc3C3CC3)cc2[nH]1 ZINC001209843352 1134079496 /nfs/dbraw/zinc/07/94/96/1134079496.db2.gz ADTMNGJTFDDPFO-UHFFFAOYSA-N 0 1 250.305 3.579 20 0 CHADMN c1nc2ccc(Nc3nc(-c4ccncc4)cs3)cc2[nH]1 ZINC001209841062 1134079745 /nfs/dbraw/zinc/07/97/45/1134079745.db2.gz CDZWTWBOKSLXMK-UHFFFAOYSA-N 0 1 293.355 3.825 20 0 CHADMN O=c1[nH]ccc2c(Nc3ccc4nc[nH]c4c3)cccc12 ZINC001209846537 1134081906 /nfs/dbraw/zinc/08/19/06/1134081906.db2.gz DVRISFVCLMTCGS-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN Oc1ccc(Cl)c(Nc2ccc3nc[nH]c3c2)c1 ZINC001209847666 1134082313 /nfs/dbraw/zinc/08/23/13/1134082313.db2.gz DJWOWTXJQBWGSW-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN COc1ccc(Nc2ccc3nc[nH]c3c2)c(Cl)c1 ZINC001209848207 1134083035 /nfs/dbraw/zinc/08/30/35/1134083035.db2.gz IEFDTOCNSMGCIB-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN CCOC(=O)Nc1ccc(Nc2ccc3nc[nH]c3c2)cc1 ZINC001209848640 1134083077 /nfs/dbraw/zinc/08/30/77/1134083077.db2.gz OLGZDPJXGYQMFV-UHFFFAOYSA-N 0 1 296.330 3.875 20 0 CHADMN CC(=O)c1ccc(C)c(Nc2ccc3nc[nH]c3c2)c1 ZINC001209848625 1134084140 /nfs/dbraw/zinc/08/41/40/1134084140.db2.gz NQKUZSONVQFHRO-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN CC(=O)n1ccc2cc(Nc3ccc4nc[nH]c4c3)ccc21 ZINC001209851125 1134084261 /nfs/dbraw/zinc/08/42/61/1134084261.db2.gz IGWORYHSHVGZKZ-UHFFFAOYSA-N 0 1 290.326 3.921 20 0 CHADMN CC(=O)c1c(F)cccc1Nc1ccc2nc[nH]c2c1 ZINC001209851054 1134085063 /nfs/dbraw/zinc/08/50/63/1134085063.db2.gz GMWOCNYWUCIINC-UHFFFAOYSA-N 0 1 269.279 3.648 20 0 CHADMN CCC(=O)c1ccccc1Nc1ccc2nc[nH]c2c1 ZINC001209852275 1134086217 /nfs/dbraw/zinc/08/62/17/1134086217.db2.gz ZHQUYBXIOKXZLQ-UHFFFAOYSA-N 0 1 265.316 3.899 20 0 CHADMN Cn1ccc2ccc(Nc3ccc4nc[nH]c4c3)cc21 ZINC001209851689 1134086964 /nfs/dbraw/zinc/08/69/64/1134086964.db2.gz OGTWEFWBPIUIBK-UHFFFAOYSA-N 0 1 262.316 3.798 20 0 CHADMN CCCCOC(=O)Nc1ccc(Nc2cncn2C)cc1 ZINC001209916646 1134100575 /nfs/dbraw/zinc/10/05/75/1134100575.db2.gz YYZUJSWZBJKBRV-UHFFFAOYSA-N 0 1 288.351 3.512 20 0 CHADMN Cc1cc(N)ncc1Nc1ccnn1-c1ccccc1Cl ZINC001209966167 1134111579 /nfs/dbraw/zinc/11/15/79/1134111579.db2.gz BXEUMBREKKCJQT-UHFFFAOYSA-N 0 1 299.765 3.555 20 0 CHADMN Cc1cc(N)ncc1Nc1c(F)ccc(Cl)c1F ZINC001209969148 1134112446 /nfs/dbraw/zinc/11/24/46/1134112446.db2.gz GJIIKJXEFGYXMI-UHFFFAOYSA-N 0 1 269.682 3.647 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(F)c(Cl)cc1F ZINC001209971171 1134112889 /nfs/dbraw/zinc/11/28/89/1134112889.db2.gz RUILZLGSODEFDF-UHFFFAOYSA-N 0 1 269.682 3.647 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(OC(C)C)c(F)c1 ZINC001209970772 1134112928 /nfs/dbraw/zinc/11/29/28/1134112928.db2.gz DEWFWTYYQZNXLB-UHFFFAOYSA-N 0 1 275.327 3.642 20 0 CHADMN Cc1cccc(C2CC2)c1Nc1cnc(N)cc1C ZINC001209973441 1134113337 /nfs/dbraw/zinc/11/33/37/1134113337.db2.gz ZUHCWSFUFKDMNY-UHFFFAOYSA-N 0 1 253.349 3.902 20 0 CHADMN Cc1cc(N)ncc1Nc1c(F)cccc1C(C)C ZINC001209973029 1134113569 /nfs/dbraw/zinc/11/35/69/1134113569.db2.gz SYUOSBDHMPUCHQ-UHFFFAOYSA-N 0 1 259.328 3.978 20 0 CHADMN CC(C)Oc1ccc(-n2c(N)nc3ccccc32)cc1F ZINC001209995417 1134119300 /nfs/dbraw/zinc/11/93/00/1134119300.db2.gz VBODCKQFJLFPGL-UHFFFAOYSA-N 0 1 285.322 3.534 20 0 CHADMN CCC(=O)Nc1cccc(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210101204 1134145377 /nfs/dbraw/zinc/14/53/77/1134145377.db2.gz BNWDPTQLUADWGN-UHFFFAOYSA-N 0 1 294.358 3.963 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1scnc1C1CC1 ZINC001210101044 1134145630 /nfs/dbraw/zinc/14/56/30/1134145630.db2.gz BZHOOPVFGYBHDJ-UHFFFAOYSA-N 0 1 270.361 3.949 20 0 CHADMN COc1c(F)cccc1Nc1cc2cn[nH]c2cc1C ZINC001210101033 1134145782 /nfs/dbraw/zinc/14/57/82/1134145782.db2.gz BOPVUGQSOHSSGO-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN COC(=O)c1cc(Nc2cc3cn[nH]c3cc2C)ccc1C ZINC001210103052 1134146780 /nfs/dbraw/zinc/14/67/80/1134146780.db2.gz SRUHGFDJKGRKTG-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1cc2[nH]ncc2cc1N1c2ccc(N)cc2CC[C@H]1C ZINC001210101518 1134146905 /nfs/dbraw/zinc/14/69/05/1134146905.db2.gz HADRVCUEEOTRLT-GFCCVEGCSA-N 0 1 292.386 3.926 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2c(c1)COC2 ZINC001210102752 1134147137 /nfs/dbraw/zinc/14/71/37/1134147137.db2.gz TUXBYXVIXNUSOF-UHFFFAOYSA-N 0 1 265.316 3.645 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cncc(C2CC2)c1 ZINC001210103406 1134147720 /nfs/dbraw/zinc/14/77/20/1134147720.db2.gz ZPRZQIUXDTWMEV-UHFFFAOYSA-N 0 1 264.332 3.887 20 0 CHADMN Cc1ccc(N)cc1Nc1cc2cn[nH]c2cc1C ZINC001210105313 1134147783 /nfs/dbraw/zinc/14/77/83/1134147783.db2.gz VYVWMZANOGPMGJ-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc2c(c1)N(C)CCC2 ZINC001210103577 1134148402 /nfs/dbraw/zinc/14/84/02/1134148402.db2.gz XPYRUBGHOVHBLI-UHFFFAOYSA-N 0 1 292.386 3.997 20 0 CHADMN C=CC(=O)Nc1cccc(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210106178 1134148809 /nfs/dbraw/zinc/14/88/09/1134148809.db2.gz MPJTYGSZCZSQEU-UHFFFAOYSA-N 0 1 292.342 3.739 20 0 CHADMN Cc1cc(-n2c(N)nc3ccccc32)ccc1C(F)(F)F ZINC001210303402 1134188666 /nfs/dbraw/zinc/18/86/66/1134188666.db2.gz JMHBWVRAYUGUSA-UHFFFAOYSA-N 0 1 291.276 3.935 20 0 CHADMN CC(C)n1nccc1Nc1ccnc(C(C)(C)C)c1 ZINC001210517537 1134237736 /nfs/dbraw/zinc/23/77/36/1134237736.db2.gz XMZUXALFQYQXQA-UHFFFAOYSA-N 0 1 258.369 3.900 20 0 CHADMN Cc1cccc2ncc(Nc3ccc4ocnc4c3)n21 ZINC001210573758 1134254016 /nfs/dbraw/zinc/25/40/16/1134254016.db2.gz SLDURAZUDAQQKN-UHFFFAOYSA-N 0 1 264.288 3.528 20 0 CHADMN Cc1nc2c(cc(Nc3cncn3C)cc2F)n1C(C)C ZINC001210921128 1134327539 /nfs/dbraw/zinc/32/75/39/1134327539.db2.gz RENOHHSUDCGZEU-UHFFFAOYSA-N 0 1 287.342 3.542 20 0 CHADMN COC(=O)c1ccc(N=C(C)c2ccccc2)c(C)c1 ZINC001210985171 1134342532 /nfs/dbraw/zinc/34/25/32/1134342532.db2.gz IURJJYYKMRROKG-UHFFFAOYSA-N 0 1 267.328 3.864 20 0 CHADMN C=C(Nc1cc(F)c(OC)cc1OC)c1ccccc1 ZINC001210987272 1134343087 /nfs/dbraw/zinc/34/30/87/1134343087.db2.gz LDPLTVYMIAVINP-UHFFFAOYSA-N 0 1 273.307 3.926 20 0 CHADMN COc1cc(OC)c(OC)cc1N=C(C)c1ccccc1 ZINC001210989383 1134344117 /nfs/dbraw/zinc/34/41/17/1134344117.db2.gz MBPXTSDUHBXVNY-UHFFFAOYSA-N 0 1 285.343 3.795 20 0 CHADMN C=C(Nc1cccc2c1C(=O)N(C1CC1)C2)c1ccccc1 ZINC001210990153 1134344628 /nfs/dbraw/zinc/34/46/28/1134344628.db2.gz CPUQQJPJFVFSKV-UHFFFAOYSA-N 0 1 290.366 3.888 20 0 CHADMN Cc1ncn(C)c1Nc1c(C)ccc2ccccc21 ZINC001211120914 1134374906 /nfs/dbraw/zinc/37/49/06/1134374906.db2.gz YGCABKPZEWYDBH-UHFFFAOYSA-N 0 1 251.333 3.934 20 0 CHADMN COc1cnccc1Nc1ccc(N2CCCCC2)cc1C ZINC001211263733 1134399423 /nfs/dbraw/zinc/39/94/23/1134399423.db2.gz GTHZIBPBGOLZDH-UHFFFAOYSA-N 0 1 297.402 3.554 20 0 CHADMN COc1cnccc1Nc1cc(C)ccc1C(F)(F)F ZINC001211263404 1134400110 /nfs/dbraw/zinc/40/01/10/1134400110.db2.gz OZWSVFHKRGHTLM-UHFFFAOYSA-N 0 1 282.265 3.583 20 0 CHADMN COc1cnccc1Nc1ccccc1OC1CCCC1 ZINC001211260156 1134400432 /nfs/dbraw/zinc/40/04/32/1134400432.db2.gz JDJWFQUDMQNGGF-UHFFFAOYSA-N 0 1 284.359 3.577 20 0 CHADMN Cn1cncc1Nc1cc2ncccc2c(C(F)(F)F)c1 ZINC001211252252 1134400484 /nfs/dbraw/zinc/40/04/84/1134400484.db2.gz HOVLRDOKPRJXNR-UHFFFAOYSA-N 0 1 292.264 3.731 20 0 CHADMN [O-]c1cc(F)c(-c2ccc(C3CC[NH2+]CC3)cc2)cc1F ZINC001211350192 1134411546 /nfs/dbraw/zinc/41/15/46/1134411546.db2.gz OWWMXDFEDZBCII-UHFFFAOYSA-N 0 1 289.325 3.804 20 0 CHADMN COc1ccc(C)cc1Nc1ccc2[nH]c(C)nc2c1 ZINC001213073169 1134420173 /nfs/dbraw/zinc/42/01/73/1134420173.db2.gz HNAPAMIYUFPQAP-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1cnn(CC2CCC2)c1Nc1ccc2nc(C)[nH]c2c1 ZINC001213072435 1134420917 /nfs/dbraw/zinc/42/09/17/1134420917.db2.gz SXKROFSHOUQEOA-UHFFFAOYSA-N 0 1 295.390 3.920 20 0 CHADMN Cc1nc2cc(Nc3cc(Cl)ccc3N)ccc2[nH]1 ZINC001213074236 1134420965 /nfs/dbraw/zinc/42/09/65/1134420965.db2.gz KUGUAVKSLOETTH-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN COC(=O)c1ccc(Nc2ccc3[nH]c(C)nc3c2)cc1F ZINC001213074432 1134421798 /nfs/dbraw/zinc/42/17/98/1134421798.db2.gz UNBSLVXNCZYJKA-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1nc2ccc(Nc3ncc(F)cc3Cl)cc2[nH]1 ZINC001213072494 1134422029 /nfs/dbraw/zinc/42/20/29/1134422029.db2.gz WPWBLVXIZKZTMI-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1nc2cc(Nc3cc(O)c(C)cc3F)ccc2[nH]1 ZINC001213075580 1134422698 /nfs/dbraw/zinc/42/26/98/1134422698.db2.gz WFKYIOUEPHEIMU-UHFFFAOYSA-N 0 1 271.295 3.768 20 0 CHADMN COc1c(Nc2ccc3[nH]c(C)nc3c2)ccc(F)c1F ZINC001213076495 1134422734 /nfs/dbraw/zinc/42/27/34/1134422734.db2.gz UIWMRGWCPGGGIV-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN COc1c(F)cc(F)cc1Nc1ccc2[nH]c(C)nc2c1 ZINC001213075209 1134422893 /nfs/dbraw/zinc/42/28/93/1134422893.db2.gz JGPKCPDXAQDBEL-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN COc1c(F)cc(F)cc1Nc1ccc2nc(C)[nH]c2c1 ZINC001213075209 1134422894 /nfs/dbraw/zinc/42/28/94/1134422894.db2.gz JGPKCPDXAQDBEL-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN Cc1cccc2ncc(Nc3ccc4c(c3)CCCC4=O)n21 ZINC001213102907 1134427655 /nfs/dbraw/zinc/42/76/55/1134427655.db2.gz AQRJCPHUOYTBDX-UHFFFAOYSA-N 0 1 291.354 3.905 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccccc1N1CCCC1 ZINC001213599326 1134466648 /nfs/dbraw/zinc/46/66/48/1134466648.db2.gz AQZJDHYDVWGCSJ-UHFFFAOYSA-N 0 1 292.386 3.516 20 0 CHADMN c1cn2cc(Nc3ccccc3N3CCCC3)ccc2n1 ZINC001213602178 1134467346 /nfs/dbraw/zinc/46/73/46/1134467346.db2.gz YTDRWDBXRODETM-UHFFFAOYSA-N 0 1 278.359 3.678 20 0 CHADMN COc1cccc(C2CC2)c1Nc1ccc2nccn2c1 ZINC001213812248 1134487568 /nfs/dbraw/zinc/48/75/68/1134487568.db2.gz UBJJZCLWTVCPAE-UHFFFAOYSA-N 0 1 279.343 3.964 20 0 CHADMN Oc1c(Cl)ccc(Nc2cnn3cccc(F)c23)c1F ZINC001214798177 1134574088 /nfs/dbraw/zinc/57/40/88/1134574088.db2.gz MUZLQGXAUUXRCY-UHFFFAOYSA-N 0 1 295.676 3.715 20 0 CHADMN COc1cc(N)ccc1Nc1ccc(Cl)c(O)c1F ZINC001214801484 1134574666 /nfs/dbraw/zinc/57/46/66/1134574666.db2.gz MFEWGMJYVORWPO-UHFFFAOYSA-N 0 1 282.702 3.519 20 0 CHADMN CN(c1ccccc1N)c1ccc(Cl)c(O)c1F ZINC001214801186 1134574845 /nfs/dbraw/zinc/57/48/45/1134574845.db2.gz CRKSLVXWACZKAD-UHFFFAOYSA-N 0 1 266.703 3.535 20 0 CHADMN Cc1cc(O)ccc1Nc1ccc(Cl)c(O)c1F ZINC001214801305 1134575347 /nfs/dbraw/zinc/57/53/47/1134575347.db2.gz IUEKULICRKSQCV-UHFFFAOYSA-N 0 1 267.687 3.942 20 0 CHADMN Cc1cccc(CO)c1Nc1ccc(Cl)c(O)c1F ZINC001214806588 1134576196 /nfs/dbraw/zinc/57/61/96/1134576196.db2.gz IQAXNLRZVURLLF-UHFFFAOYSA-N 0 1 281.714 3.729 20 0 CHADMN Oc1c(Cl)ccc(Nc2cccc3snnc32)c1F ZINC001214806282 1134576702 /nfs/dbraw/zinc/57/67/02/1134576702.db2.gz CVLNFILSHLTITP-UHFFFAOYSA-N 0 1 295.726 3.933 20 0 CHADMN Cc1ncn(-c2c(OC(C)C)ccc3ccccc32)c1N ZINC001214840176 1134576938 /nfs/dbraw/zinc/57/69/38/1134576938.db2.gz UTHWXISHTAJTLB-UHFFFAOYSA-N 0 1 281.359 3.703 20 0 CHADMN Cc1cc(C)nc(Nc2c(C)cc(CO)cc2C)c1 ZINC001214944213 1134584770 /nfs/dbraw/zinc/58/47/70/1134584770.db2.gz NHKXZWKEISJAFS-UHFFFAOYSA-N 0 1 256.349 3.551 20 0 CHADMN CC[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000401245421 1134607526 /nfs/dbraw/zinc/60/75/26/1134607526.db2.gz DFMLOEZZPQFNKH-VYDXJSESSA-N 0 1 281.440 3.636 20 0 CHADMN Cc1ccc(Cl)c(N[C@@H]2CCCc3[nH]ncc32)c1 ZINC000401604497 1134617929 /nfs/dbraw/zinc/61/79/29/1134617929.db2.gz HHKPTXWDJZQPGG-GFCCVEGCSA-N 0 1 261.756 3.861 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2n[nH]cc21)c1ccccc1OC ZINC000401605740 1134618039 /nfs/dbraw/zinc/61/80/39/1134618039.db2.gz IJVYEAORORTPDS-CABCVRRESA-N 0 1 285.391 3.537 20 0 CHADMN Cc1ccc2cccc(N[C@H]3CCCc4[nH]ncc43)c2n1 ZINC000401604827 1134618267 /nfs/dbraw/zinc/61/82/67/1134618267.db2.gz HTGGWNQASAOJML-AWEZNQCLSA-N 0 1 278.359 3.756 20 0 CHADMN FC(F)(F)Oc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000401756806 1134619061 /nfs/dbraw/zinc/61/90/61/1134619061.db2.gz ZVAKMAYLEDVMFO-GFCCVEGCSA-N 0 1 297.280 3.798 20 0 CHADMN CSc1ccc(F)cc1-n1c(N)nc2ccc(C)cc21 ZINC001215446183 1134627845 /nfs/dbraw/zinc/62/78/45/1134627845.db2.gz GNIGLIWDFJDYSF-UHFFFAOYSA-N 0 1 287.363 3.777 20 0 CHADMN COc1cc(Nc2cc3[nH]ncc3c(F)c2)ccc1C ZINC001215555646 1134640746 /nfs/dbraw/zinc/64/07/46/1134640746.db2.gz LIRKFERYMBBWGA-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN COc1cccc(Nc2cc3[nH]ncc3c(F)c2)c1F ZINC001215555258 1134640834 /nfs/dbraw/zinc/64/08/34/1134640834.db2.gz GFGLOOGCEOCEED-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN Cc1cc(Nc2cc3[nH]ncc3c(F)c2)n(C2CCC2)n1 ZINC001215555686 1134641034 /nfs/dbraw/zinc/64/10/34/1134641034.db2.gz MLRCAIOXHAMLPX-UHFFFAOYSA-N 0 1 285.326 3.676 20 0 CHADMN Cc1cnn(CC2CCC2)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555037 1134641108 /nfs/dbraw/zinc/64/11/08/1134641108.db2.gz HLESJIZARGHBKQ-UHFFFAOYSA-N 0 1 299.353 3.751 20 0 CHADMN COc1ccc(F)c(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215556602 1134642187 /nfs/dbraw/zinc/64/21/87/1134642187.db2.gz JERRSKMADMWBIN-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN Cc1ccc(Nc2ccccc2-n2ccnc2)c2cn[nH]c21 ZINC001215756619 1134674481 /nfs/dbraw/zinc/67/44/81/1134674481.db2.gz DSJJTGSGBPOIBR-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN COc1ccc(Nc2ccc(C)c3[nH]ncc32)cc1F ZINC001215757067 1134674734 /nfs/dbraw/zinc/67/47/34/1134674734.db2.gz KRCWWHZQIFOLCQ-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN CCOc1ncc(Nc2ccc(C)c3[nH]ncc32)cc1F ZINC001215755047 1134675019 /nfs/dbraw/zinc/67/50/19/1134675019.db2.gz GKGCVLOTMPWCND-UHFFFAOYSA-N 0 1 286.310 3.548 20 0 CHADMN COc1ccc(C)cc1Nc1ccc(C)c2[nH]ncc21 ZINC001215757222 1134675786 /nfs/dbraw/zinc/67/57/86/1134675786.db2.gz ODFZOERDTMCWTG-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1ccc(Nc2cccc3nsnc32)c2cn[nH]c21 ZINC001215757393 1134675792 /nfs/dbraw/zinc/67/57/92/1134675792.db2.gz RGLQXFHKJUGZPK-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1ccc(Nc2ccc3c(c2)C(=O)CC3)c2cn[nH]c21 ZINC001215757083 1134676458 /nfs/dbraw/zinc/67/64/58/1134676458.db2.gz LTIHFWOUBHVORJ-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN CC(=O)c1ccc(Nc2ccc(C)c3[nH]ncc32)cc1 ZINC001215757374 1134676485 /nfs/dbraw/zinc/67/64/85/1134676485.db2.gz QCJPYPQDAZYZDK-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN Cc1ccc(Nc2cccc3c2CCCO3)c2cn[nH]c21 ZINC001215760426 1134678543 /nfs/dbraw/zinc/67/85/43/1134678543.db2.gz NQMTVDVBSSUPPU-UHFFFAOYSA-N 0 1 279.343 3.940 20 0 CHADMN Oc1cccc(F)c1-c1nc(-c2cccc(F)c2F)no1 ZINC001215776473 1134683880 /nfs/dbraw/zinc/68/38/80/1134683880.db2.gz RPLBDAJUIKISBW-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN Cc1cc(C)cc(-c2noc(-c3ccc(O)c(F)c3)n2)c1 ZINC001215791575 1134687322 /nfs/dbraw/zinc/68/73/22/1134687322.db2.gz BWNJKBCIIHGYIM-UHFFFAOYSA-N 0 1 284.290 3.865 20 0 CHADMN Oc1ccc(-c2nc(-c3ccccc3Cl)no2)cc1F ZINC001215792575 1134688005 /nfs/dbraw/zinc/68/80/05/1134688005.db2.gz WMYUGZXZLYEVFH-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN Cc1cc(Nc2cc(Cl)cc3[nH]ncc32)cnc1F ZINC001215857328 1134703879 /nfs/dbraw/zinc/70/38/79/1134703879.db2.gz OGXFHIFKSJIXMF-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Oc1ccc(Nc2cc(Cl)cc3[nH]ncc32)cc1 ZINC001215859830 1134705249 /nfs/dbraw/zinc/70/52/49/1134705249.db2.gz VBQJVHFQESMGPU-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN CSc1cc(C)ccc1-n1c(N)nc2c1cccc2C ZINC001215871186 1134709314 /nfs/dbraw/zinc/70/93/14/1134709314.db2.gz WVTRTYGJLVLKQH-UHFFFAOYSA-N 0 1 283.400 3.946 20 0 CHADMN CSc1cc(F)cc(Nc2ccc3nccn3c2)c1 ZINC001215902501 1134713360 /nfs/dbraw/zinc/71/33/60/1134713360.db2.gz OJTWSFGAAKUBQC-UHFFFAOYSA-N 0 1 273.336 3.939 20 0 CHADMN CC(C)c1ccc(N)c(Nc2ccc3nccn3c2)c1 ZINC001216019754 1134751297 /nfs/dbraw/zinc/75/12/97/1134751297.db2.gz YXBIYLVBDJPMCI-UHFFFAOYSA-N 0 1 266.348 3.784 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cc(C)c(CO)c(C)c1 ZINC001216123283 1134785170 /nfs/dbraw/zinc/78/51/70/1134785170.db2.gz MOZTTZMZVVQCFJ-UHFFFAOYSA-N 0 1 299.349 3.635 20 0 CHADMN CN(C)Cc1cccc(Nc2c(F)cccc2F)c1F ZINC001216229029 1134813017 /nfs/dbraw/zinc/81/30/17/1134813017.db2.gz ZIHLFKLNDXHPCT-UHFFFAOYSA-N 0 1 280.293 3.909 20 0 CHADMN Cc1ccnc(Cl)c1Nc1cccc(CN(C)C)c1F ZINC001216227794 1134813037 /nfs/dbraw/zinc/81/30/37/1134813037.db2.gz PJZQVWPVLLOLHG-UHFFFAOYSA-N 0 1 293.773 3.988 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc3cncnc3c2)c1F ZINC001216231502 1134814600 /nfs/dbraw/zinc/81/46/00/1134814600.db2.gz BNKHWZSYAMELSA-UHFFFAOYSA-N 0 1 296.349 3.574 20 0 CHADMN Cc1ccc(O)c(Nc2cccc(CN(C)C)c2F)c1 ZINC001216231243 1134815371 /nfs/dbraw/zinc/81/53/71/1134815371.db2.gz DYKBUFPGCRCQMN-UHFFFAOYSA-N 0 1 274.339 3.645 20 0 CHADMN COc1ccc(F)cc1Nc1cccc(CN(C)C)c1F ZINC001216231969 1134815730 /nfs/dbraw/zinc/81/57/30/1134815730.db2.gz ROCJZIBQFRCNCY-UHFFFAOYSA-N 0 1 292.329 3.779 20 0 CHADMN COc1ccc(C)c(Nc2cccc(CN(C)C)c2F)c1 ZINC001216230978 1134816221 /nfs/dbraw/zinc/81/62/21/1134816221.db2.gz LOJYIBNBRAREFL-UHFFFAOYSA-N 0 1 288.366 3.948 20 0 CHADMN CN(C)Cc1cccc(Nc2c(O)cccc2Cl)c1F ZINC001216231995 1134816299 /nfs/dbraw/zinc/81/62/99/1134816299.db2.gz SQJGRYHQJVTHCK-UHFFFAOYSA-N 0 1 294.757 3.990 20 0 CHADMN CSc1ncc(C)cc1Nc1ccc2nccn2c1 ZINC001216238898 1134819702 /nfs/dbraw/zinc/81/97/02/1134819702.db2.gz CBMICJNMRATOOA-UHFFFAOYSA-N 0 1 270.361 3.503 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1cc(F)c(F)cc1Cl ZINC001216369395 1134870079 /nfs/dbraw/zinc/87/00/79/1134870079.db2.gz UGAWDVVQYKPABU-UHFFFAOYSA-N 0 1 293.704 3.848 20 0 CHADMN COc1cc(Nc2nc(C(C)(C)C)ns2)c(Cl)cn1 ZINC001216385679 1134878000 /nfs/dbraw/zinc/87/80/00/1134878000.db2.gz ROOWJLAKFBPHHK-UHFFFAOYSA-N 0 1 298.799 3.636 20 0 CHADMN CCN(c1cncn1Cc1ccccc1)c1ccccc1N ZINC001216553745 1134920459 /nfs/dbraw/zinc/92/04/59/1134920459.db2.gz KRTUDLVYZQBBEE-UHFFFAOYSA-N 0 1 292.386 3.672 20 0 CHADMN c1ncn(Cc2ccccc2)c1Nc1ccc2c(c1)OCC2 ZINC001216553087 1134920650 /nfs/dbraw/zinc/92/06/50/1134920650.db2.gz FSDAIDGXIZGAHB-UHFFFAOYSA-N 0 1 291.354 3.610 20 0 CHADMN Cc1cccc(-c2noc(-c3c(O)ccc(F)c3F)n2)c1 ZINC001216929425 1134954461 /nfs/dbraw/zinc/95/44/61/1134954461.db2.gz SGCJYAWXBFPCAN-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN Cc1cccc(-c2noc(-c3cc4cccnc4[nH]3)n2)c1C ZINC001217305944 1134971543 /nfs/dbraw/zinc/97/15/43/1134971543.db2.gz IQXJUUCAOGSEFB-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN CC(C)(C)c1ccc(-c2nnc([C@@H]3CCCCN3)o2)cc1 ZINC001217694066 1134987243 /nfs/dbraw/zinc/98/72/43/1134987243.db2.gz FBWYSTWRGFXGBY-AWEZNQCLSA-N 0 1 285.391 3.849 20 0 CHADMN CN[C@@H](Cc1ccccc1)c1nnc(-c2ccc(C)cc2)o1 ZINC001217702690 1134987603 /nfs/dbraw/zinc/98/76/03/1134987603.db2.gz DTGQEJOTJXASDR-INIZCTEOSA-N 0 1 293.370 3.548 20 0 CHADMN Cc1cc(Cl)ccc1-c1nnc([C@@H]2CC[C@@H](C)CN2)o1 ZINC001217702724 1134987810 /nfs/dbraw/zinc/98/78/10/1134987810.db2.gz NAIDXTWWVCHLEB-RNCFNFMXSA-N 0 1 291.782 3.759 20 0 CHADMN CC[C@H](C)[C@H](NC)c1nnc([C@H]2C[C@H]2c2ccccc2)o1 ZINC001217722760 1134990694 /nfs/dbraw/zinc/99/06/94/1134990694.db2.gz FDFNGEQNCSWRJV-MXAVVETBSA-N 0 1 285.391 3.647 20 0 CHADMN CN[C@H](c1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(C)C ZINC001217726834 1134992338 /nfs/dbraw/zinc/99/23/38/1134992338.db2.gz JARGBNBFFQOAPT-AWEZNQCLSA-N 0 1 287.407 3.951 20 0 CHADMN CC(C)C[C@@](C)(N)c1nnc([C@@H]2C[C@@H]2c2ccccc2)o1 ZINC001217734620 1134993139 /nfs/dbraw/zinc/99/31/39/1134993139.db2.gz YDYJEWVFWFXTNW-CKEIUWERSA-N 0 1 285.391 3.561 20 0 CHADMN CCCCC[C@H](NC)c1nnc(Cc2ccccc2)o1 ZINC001217756781 1134994874 /nfs/dbraw/zinc/99/48/74/1134994874.db2.gz VGQNBNSHEYPSEV-AWEZNQCLSA-N 0 1 273.380 3.501 20 0 CHADMN C[C@@H]1CC[C@@H](OCc2cccc3nc[nH]c32)C[C@H]1C ZINC001217871006 1135013781 /nfs/dbraw/zinc/01/37/81/1135013781.db2.gz PLNWTYCMSYJRFP-YRGRVCCFSA-N 0 1 258.365 3.904 20 0 CHADMN Cc1ccc(OC[C@@H](C)OCc2cccc3nc[nH]c32)cc1 ZINC001217890135 1135017203 /nfs/dbraw/zinc/01/72/03/1135017203.db2.gz DWPCSTJZOWHOBL-CQSZACIVSA-N 0 1 296.370 3.855 20 0 CHADMN CC(C)C[C@@H](C)C[C@@H](CC(C)C)Oc1cnc(CN)nc1 ZINC001218291438 1135078585 /nfs/dbraw/zinc/07/85/85/1135078585.db2.gz NAIJPQDQDQPHMW-HUUCEWRRSA-N 0 1 293.455 3.801 20 0 CHADMN CCCCC[C@@H](CCCC)Oc1n[nH]c2c1CNCC2 ZINC001218353013 1135091999 /nfs/dbraw/zinc/09/19/99/1135091999.db2.gz OXXOUUHUPFPXNP-CYBMUJFWSA-N 0 1 279.428 3.573 20 0 CHADMN FC(F)CCNCc1cc(Cl)sc1Cl ZINC000312610028 1135134402 /nfs/dbraw/zinc/13/44/02/1135134402.db2.gz HODNLZATRJHZHV-UHFFFAOYSA-N 0 1 260.136 3.800 20 0 CHADMN Clc1ccccc1OC1CCN(Cc2ccc[nH]2)CC1 ZINC000190593410 1135135050 /nfs/dbraw/zinc/13/50/50/1135135050.db2.gz BZNUAAZPFQSYMR-UHFFFAOYSA-N 0 1 290.794 3.712 20 0 CHADMN CC(C)CCC[C@@H](C)NC(=O)c1n[nH]c2ccc(F)cc21 ZINC001220252384 1135148631 /nfs/dbraw/zinc/14/86/31/1135148631.db2.gz YVYHOSVVKKDUHR-LLVKDONJSA-N 0 1 291.370 3.647 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000316772008 1135169429 /nfs/dbraw/zinc/16/94/29/1135169429.db2.gz CRPLGOPOOPGDQM-LJQANCHMSA-N 0 1 297.398 3.917 20 0 CHADMN CCCCCCc1ccc(-c2cnc(CN)nc2)cc1 ZINC001222241437 1135213651 /nfs/dbraw/zinc/21/36/51/1135213651.db2.gz HGTWFJFCLBMUSX-UHFFFAOYSA-N 0 1 269.392 3.725 20 0 CHADMN Cc1nc2c[nH]cc(-c3cccc(OC(F)(F)F)c3)c-2n1 ZINC001222331846 1135227332 /nfs/dbraw/zinc/22/73/32/1135227332.db2.gz QMIGWUFYYODGOH-UHFFFAOYSA-N 0 1 293.248 3.832 20 0 CHADMN Cc1nc2c(cncc2-c2cccc(OC(F)(F)F)c2)[nH]1 ZINC001222331846 1135227335 /nfs/dbraw/zinc/22/73/35/1135227335.db2.gz QMIGWUFYYODGOH-UHFFFAOYSA-N 0 1 293.248 3.832 20 0 CHADMN Cc1cc(-c2cn(C)nc2-c2ccccc2)cc2nc[nH]c21 ZINC001222529928 1135249099 /nfs/dbraw/zinc/24/90/99/1135249099.db2.gz GMZZUIUQAQTQGE-UHFFFAOYSA-N 0 1 288.354 3.939 20 0 CHADMN c1ccc2c(c1)CN1CC[C@H](OCC3CCCC3)C1=N2 ZINC001222709141 1135265969 /nfs/dbraw/zinc/26/59/69/1135265969.db2.gz TVXRDPIGFVWHJB-INIZCTEOSA-N 0 1 270.376 3.511 20 0 CHADMN CC(C)N1CC[C@H](OC(Cl)(Cl)c2ccccc2)C1 ZINC001223306462 1135325062 /nfs/dbraw/zinc/32/50/62/1135325062.db2.gz UIAIGXVQMSQXQF-ZDUSSCGKSA-N 0 1 288.218 3.774 20 0 CHADMN CC(C)(C)N1CC(OCc2ccc(-c3ccccn3)cc2)C1 ZINC001223750099 1135377859 /nfs/dbraw/zinc/37/78/59/1135377859.db2.gz UASDKCPVCKLRFQ-UHFFFAOYSA-N 0 1 296.414 3.748 20 0 CHADMN FCCN1CCC(OCc2csc3ccccc23)CC1 ZINC001223976592 1135404856 /nfs/dbraw/zinc/40/48/56/1135404856.db2.gz NHBKFHLFNQNMJT-UHFFFAOYSA-N 0 1 293.407 3.852 20 0 CHADMN CC[C@@H](C)CO[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001224667696 1135467676 /nfs/dbraw/zinc/46/76/76/1135467676.db2.gz LDLRXQDOFKYLSW-CZUORRHYSA-N 0 1 281.827 3.977 20 0 CHADMN CC(C)CCC[C@H](C)CCO[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001224770621 1135480569 /nfs/dbraw/zinc/48/05/69/1135480569.db2.gz CCNWLFVJRFIXIJ-ONIAQPFYSA-N 0 1 295.467 3.660 20 0 CHADMN CC(C)[N@H+]1CCC[C@@H](Oc2ccccc2Br)C1 ZINC001225201168 1135512282 /nfs/dbraw/zinc/51/22/82/1135512282.db2.gz FWFSZMZFWSSOIF-GFCCVEGCSA-N 0 1 298.224 3.701 20 0 CHADMN CC(C)N1CCC[C@@H](Oc2ccccc2Br)C1 ZINC001225201168 1135512285 /nfs/dbraw/zinc/51/22/85/1135512285.db2.gz FWFSZMZFWSSOIF-GFCCVEGCSA-N 0 1 298.224 3.701 20 0 CHADMN Cc1ccc(F)c(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001225353924 1135551260 /nfs/dbraw/zinc/55/12/60/1135551260.db2.gz GFXYGCWYDQTQFJ-MRXNPFEDSA-N 0 1 285.362 3.787 20 0 CHADMN Cc1ccc(Cl)c(O[C@H]2CC[N@H+](C(C)C)C2)c1F ZINC001225933389 1135641305 /nfs/dbraw/zinc/64/13/05/1135641305.db2.gz RCFPEZFYRYUXGF-NSHDSACASA-N 0 1 271.763 3.649 20 0 CHADMN Cc1ccc(Cl)c(O[C@H]2CCN(C(C)C)C2)c1F ZINC001225933389 1135641308 /nfs/dbraw/zinc/64/13/08/1135641308.db2.gz RCFPEZFYRYUXGF-NSHDSACASA-N 0 1 271.763 3.649 20 0 CHADMN c1cnc2[nH]nc(O[C@@H]3Cc4cccc5cccc3c45)c2c1 ZINC001226302958 1135682476 /nfs/dbraw/zinc/68/24/76/1135682476.db2.gz PZRAXQKAATWART-OAHLLOKOSA-N 0 1 287.322 3.787 20 0 CHADMN Clc1ccccc1C1CC(Oc2n[nH]c3ncccc23)C1 ZINC001226302423 1135682761 /nfs/dbraw/zinc/68/27/61/1135682761.db2.gz KEYTXDGTVXAXEP-UHFFFAOYSA-N 0 1 299.761 3.936 20 0 CHADMN CCC[C@H]1CCCC[C@@H]1Oc1n[nH]c2ncccc12 ZINC001226306530 1135683453 /nfs/dbraw/zinc/68/34/53/1135683453.db2.gz UMSWBCVPUFZJRW-AAEUAGOBSA-N 0 1 259.353 3.696 20 0 CHADMN Cc1ccc([C@H](Oc2nccc(=O)[nH]2)c2ccccc2)cc1 ZINC001226323435 1135684128 /nfs/dbraw/zinc/68/41/28/1135684128.db2.gz DPHLOKQCGYQJCQ-QGZVFWFLSA-N 0 1 292.338 3.659 20 0 CHADMN Nc1cc(O[C@H]2CCc3ccccc32)c2ccccc2n1 ZINC001226418931 1135694792 /nfs/dbraw/zinc/69/47/92/1135694792.db2.gz SWMAXLGSVHDODK-INIZCTEOSA-N 0 1 276.339 3.883 20 0 CHADMN CC1(C)[C@@H]2C[C@@H](Oc3cc(N)nc4ccccc43)C[C@@H]21 ZINC001226423346 1135695391 /nfs/dbraw/zinc/69/53/91/1135695391.db2.gz VYUXUAGGWVKWJY-UOJUARBOSA-N 0 1 268.360 3.630 20 0 CHADMN Cc1ccc2nc(O[C@H](C)COc3ccccc3)[nH]c2c1 ZINC001226505982 1135705076 /nfs/dbraw/zinc/70/50/76/1135705076.db2.gz KKSHDJNEXTULSL-CYBMUJFWSA-N 0 1 282.343 3.718 20 0 CHADMN CCCCC(=O)c1ccc(O[C@@H]2CCCN(C)C2)cc1 ZINC001226772006 1135739898 /nfs/dbraw/zinc/73/98/98/1135739898.db2.gz ISRXCELPBPNTJD-MRXNPFEDSA-N 0 1 275.392 3.533 20 0 CHADMN CCN1CC[C@H](Oc2nc(Cl)c(Cl)cc2Cl)C1 ZINC001226885297 1135755355 /nfs/dbraw/zinc/75/53/55/1135755355.db2.gz FOLQQUQEJASPGJ-ZETCQYMHSA-N 0 1 295.597 3.515 20 0 CHADMN CC(C)[C@H](Oc1ccc2nc[nH]c2c1)C(F)(F)F ZINC001226928849 1135761839 /nfs/dbraw/zinc/76/18/39/1135761839.db2.gz TWYNFACSELMPDZ-NSHDSACASA-N 0 1 258.243 3.529 20 0 CHADMN C[C@H](CCc1ccccc1)Oc1ccc2nc[nH]c2c1 ZINC001226928684 1135761956 /nfs/dbraw/zinc/76/19/56/1135761956.db2.gz PPEZIZCNZNSKGN-CYBMUJFWSA-N 0 1 266.344 3.963 20 0 CHADMN Cc1cccc(OC[C@@H](C)Oc2ccc3nc[nH]c3c2)c1 ZINC001226930131 1135762848 /nfs/dbraw/zinc/76/28/48/1135762848.db2.gz QEFRYHIGNWXPLE-CYBMUJFWSA-N 0 1 282.343 3.718 20 0 CHADMN C[C@@H](Oc1nc2ccc(Cl)cc2[nH]1)c1ccncc1F ZINC001227265481 1135811998 /nfs/dbraw/zinc/81/19/98/1135811998.db2.gz CMEASFLVEUTKDA-MRVPVSSYSA-N 0 1 291.713 3.890 20 0 CHADMN CC(=O)[C@H](Oc1nc2cccc(C)c2[nH]1)c1ccccc1 ZINC001227267281 1135812549 /nfs/dbraw/zinc/81/25/49/1135812549.db2.gz APFUSEWEQISKGN-INIZCTEOSA-N 0 1 280.327 3.580 20 0 CHADMN COC1=CC[C@H](Oc2nc3ccc(Cl)cc3[nH]2)CC1 ZINC001227265930 1135812794 /nfs/dbraw/zinc/81/27/94/1135812794.db2.gz GGAKEIMZJAZLFY-NSHDSACASA-N 0 1 278.739 3.678 20 0 CHADMN C[C@@H](Oc1nc2ccc(Cl)cc2[nH]1)c1ncccc1F ZINC001227262283 1135812836 /nfs/dbraw/zinc/81/28/36/1135812836.db2.gz MCBSTRQVFRDNPR-MRVPVSSYSA-N 0 1 291.713 3.890 20 0 CHADMN Cc1cccc2nc(OC[C@@H](C)OCc3ccccc3)[nH]c21 ZINC001227268299 1135813515 /nfs/dbraw/zinc/81/35/15/1135813515.db2.gz NJSULXGVQDIFAP-CQSZACIVSA-N 0 1 296.370 3.855 20 0 CHADMN Cc1cccc2nc(OCc3cncc(OC(C)C)c3)[nH]c21 ZINC001227267617 1135813787 /nfs/dbraw/zinc/81/37/87/1135813787.db2.gz GIXXQLIXLYLQLC-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN COc1ccc(CN[C@@H]2CCOc3c(C)cccc32)cc1 ZINC000082503079 178066572 /nfs/dbraw/zinc/06/65/72/178066572.db2.gz TYFDEYAZTRCRQZ-QGZVFWFLSA-N 0 1 283.371 3.617 20 0 CHADMN Fc1ccc(CN[C@H]2CCOc3c(F)cccc32)cc1 ZINC000082504181 178068511 /nfs/dbraw/zinc/06/85/11/178068511.db2.gz OTUKKNUMOXKPKE-HNNXBMFYSA-N 0 1 275.298 3.578 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1csc(COC)n1 ZINC000353806006 529406683 /nfs/dbraw/zinc/40/66/83/529406683.db2.gz PDDPZXHMZBETMV-OCCSQVGLSA-N 0 1 282.453 3.690 20 0 CHADMN CCc1cc(=O)[nH]c(CN(Cc2ccccc2)[C@@H](C)CC)n1 ZINC000344365976 529564461 /nfs/dbraw/zinc/56/44/61/529564461.db2.gz NHMJZKWJPNAFGL-AWEZNQCLSA-N 0 1 299.418 3.545 20 0 CHADMN CC[C@H](NCc1cc(F)ccc1F)c1ccncc1 ZINC000344586455 529624573 /nfs/dbraw/zinc/62/45/73/529624573.db2.gz PCVUMIUXOXXHDI-HNNXBMFYSA-N 0 1 262.303 3.601 20 0 CHADMN CC[C@H](NCc1ccc(F)cc1F)c1ccncc1 ZINC000344526927 529627497 /nfs/dbraw/zinc/62/74/97/529627497.db2.gz FVOZQLMTTIYPNY-HNNXBMFYSA-N 0 1 262.303 3.601 20 0 CHADMN CCc1ccc(CN2CCC[C@@H]2c2cccc(OC)c2)cn1 ZINC000347666643 529640412 /nfs/dbraw/zinc/64/04/12/529640412.db2.gz CWWGYSDXNZEFOU-LJQANCHMSA-N 0 1 296.414 3.990 20 0 CHADMN CCc1ccc(CNC(C)(C)c2ccccc2OC)cn1 ZINC000352814061 529650740 /nfs/dbraw/zinc/65/07/40/529650740.db2.gz KIHQXWIFAAFQJZ-UHFFFAOYSA-N 0 1 284.403 3.678 20 0 CHADMN CCc1ccc(CN(C)[C@@H](C)c2ccc(F)cc2)cn1 ZINC000347588438 529636246 /nfs/dbraw/zinc/63/62/46/529636246.db2.gz NJQYBVXRPAKOIL-ZDUSSCGKSA-N 0 1 272.367 3.976 20 0 CHADMN CCc1ccc(CN(C)[C@H](C)c2ccc(F)cc2)cn1 ZINC000347588434 529637591 /nfs/dbraw/zinc/63/75/91/529637591.db2.gz NJQYBVXRPAKOIL-CYBMUJFWSA-N 0 1 272.367 3.976 20 0 CHADMN CC[C@H](NCc1nc2ccc(C)cc2[nH]1)c1ccc(F)cn1 ZINC000352789510 529637782 /nfs/dbraw/zinc/63/77/82/529637782.db2.gz OJSOKALJVVCFSD-ZDUSSCGKSA-N 0 1 298.365 3.646 20 0 CHADMN CCc1ccc(CN(CCOC)[C@H](C)c2ccccc2)cn1 ZINC000347589916 529638256 /nfs/dbraw/zinc/63/82/56/529638256.db2.gz ABAVALVTRAEENV-MRXNPFEDSA-N 0 1 298.430 3.854 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](CO)c2ccsc2)s1 ZINC000349376612 529722592 /nfs/dbraw/zinc/72/25/92/529722592.db2.gz GFXGGROQUMNVOG-GXFFZTMASA-N 0 1 281.446 3.756 20 0 CHADMN CCc1nc(CNC[C@H](SC)C(C)(C)C)cs1 ZINC000344331783 529739859 /nfs/dbraw/zinc/73/98/59/529739859.db2.gz BEWFYELNPJEWSM-NSHDSACASA-N 0 1 272.483 3.573 20 0 CHADMN CN(Cc1nccn1Cc1ccccc1)[C@@H]1CCC(C)(C)C1 ZINC000347351795 530027856 /nfs/dbraw/zinc/02/78/56/530027856.db2.gz NYFPUFNKTMMZDN-QGZVFWFLSA-N 0 1 297.446 3.942 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cnn3ccccc23)C1 ZINC000574239901 335003551 /nfs/dbraw/zinc/00/35/51/335003551.db2.gz HEDTXEFPHOUUEW-BEFAXECRSA-N 0 1 291.398 3.917 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2ncc(C(C)(C)C)s2)C1 ZINC000448336940 261118742 /nfs/dbraw/zinc/11/87/42/261118742.db2.gz JZMIBBUSYYFEPS-GHMZBOCLSA-N 0 1 252.427 3.671 20 0 CHADMN CCc1ccc(-c2noc([C@H](C)NC3CC(C)C3)n2)cc1 ZINC000574436066 335019532 /nfs/dbraw/zinc/01/95/32/335019532.db2.gz SBXQXYYHGMNKRT-AVERBVTBSA-N 0 1 285.391 3.748 20 0 CHADMN Cc1cccc(CN[C@H](c2ccccc2F)[C@H](C)O)c1C ZINC000574455498 335021143 /nfs/dbraw/zinc/02/11/43/335021143.db2.gz BNXAXXKTRAFCNG-KSSFIOAISA-N 0 1 287.378 3.654 20 0 CHADMN C[N@@H+](CCCC1CCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000574578131 335031313 /nfs/dbraw/zinc/03/13/13/335031313.db2.gz KWKKIGBOVPSOSR-KRWDZBQOSA-N 0 1 289.419 3.585 20 0 CHADMN CSc1ccc(F)cc1CNCc1ccnn1C(C)C ZINC000354466304 532971103 /nfs/dbraw/zinc/97/11/03/532971103.db2.gz RBKQAAZQVDWOCI-UHFFFAOYSA-N 0 1 293.411 3.615 20 0 CHADMN COC1CC(N(C)Cc2ccc(Cl)cc2Cl)C1 ZINC000352204367 533031387 /nfs/dbraw/zinc/03/13/87/533031387.db2.gz XIIXFFFSGFLEAV-UHFFFAOYSA-N 0 1 274.191 3.603 20 0 CHADMN COc1ccsc1[C@H](C)NCc1ccc(Cl)nc1 ZINC000186116092 262079964 /nfs/dbraw/zinc/07/99/64/262079964.db2.gz JZHZJHMLFJEMSS-VIFPVBQESA-N 0 1 282.796 3.656 20 0 CHADMN COc1cc([C@H](C)N[C@@H](C)c2ccccc2F)ccn1 ZINC000347555543 533131557 /nfs/dbraw/zinc/13/15/57/533131557.db2.gz KYQHCKBIVPEGCT-RYUDHWBXSA-N 0 1 274.339 3.641 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000574884584 335055221 /nfs/dbraw/zinc/05/52/21/335055221.db2.gz UCSVSQYSUMLDIY-DZGCQCFKSA-N 0 1 299.370 3.664 20 0 CHADMN Cc1cccc(C)c1[C@@H](C)N[C@@H](C)c1cnccn1 ZINC000355072954 227371119 /nfs/dbraw/zinc/37/11/19/227371119.db2.gz YSNQSCBMWQWJLN-UONOGXRCSA-N 0 1 255.365 3.505 20 0 CHADMN CC[C@@H](NCc1ccc(C(=O)OC)o1)c1ccc(C)cc1 ZINC000034994132 260003469 /nfs/dbraw/zinc/00/34/69/260003469.db2.gz CPSYMUJCXHPEEI-OAHLLOKOSA-N 0 1 287.359 3.616 20 0 CHADMN OCc1cccc(CNCc2cccc(Cl)c2Cl)c1 ZINC000222116558 262309107 /nfs/dbraw/zinc/30/91/07/262309107.db2.gz UAVRIHDOVJLSGS-UHFFFAOYSA-N 0 1 296.197 3.776 20 0 CHADMN FC1(F)CC(CN2CC[C@](F)(c3ccccc3)C2)C1 ZINC000575085040 335063484 /nfs/dbraw/zinc/06/34/84/335063484.db2.gz IJAIWUWHNVGGLT-CQSZACIVSA-N 0 1 269.310 3.602 20 0 CHADMN CO[C@@H](C)CN(C)[C@H](C)c1cccc(Cl)c1F ZINC000353252062 533331391 /nfs/dbraw/zinc/33/13/91/533331391.db2.gz GZJZTUKSJWLYBK-VHSXEESVSA-N 0 1 259.752 3.507 20 0 CHADMN C[C@@H](NCc1cncc(F)c1)c1cc2ccccc2o1 ZINC000347187050 533467834 /nfs/dbraw/zinc/46/78/34/533467834.db2.gz DGZKMWLGYJSMOE-LLVKDONJSA-N 0 1 270.307 3.818 20 0 CHADMN COc1cccc(CN[C@@H](c2ccc(F)cn2)C(C)C)c1 ZINC000353345939 533515199 /nfs/dbraw/zinc/51/51/99/533515199.db2.gz MBFNPMHMFNMGLD-QGZVFWFLSA-N 0 1 288.366 3.716 20 0 CHADMN Cc1cc(CN2CCOC3(CCCC3)C2)c(C)s1 ZINC000353774904 533619599 /nfs/dbraw/zinc/61/95/99/533619599.db2.gz JQMVNJPALPZPAD-UHFFFAOYSA-N 0 1 265.422 3.510 20 0 CHADMN Cc1ccc(C(C)(C)NCc2ccc(F)cc2F)cn1 ZINC000353170857 533632399 /nfs/dbraw/zinc/63/23/99/533632399.db2.gz QMMPJLFEOBIFBG-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN Cc1ccc(C(C)(C)NCc2ccc3ccccc3n2)cn1 ZINC000353193520 533633535 /nfs/dbraw/zinc/63/35/35/533633535.db2.gz RJXIZSGWGFDTBT-UHFFFAOYSA-N 0 1 291.398 3.963 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(Cl)cc1 ZINC000335949083 533670636 /nfs/dbraw/zinc/67/06/36/533670636.db2.gz BMDHJLVHHAGWGD-UHFFFAOYSA-N 0 1 285.681 3.561 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N1CCC[C@H](C)CC1 ZINC000341834571 130065694 /nfs/dbraw/zinc/06/56/94/130065694.db2.gz LEFTYOQMWUBQHB-UONOGXRCSA-N 0 1 285.391 3.920 20 0 CHADMN C[C@@H](c1noc(-c2ccccc2)n1)N1CCC[C@H](C)CC1 ZINC000341834569 130066415 /nfs/dbraw/zinc/06/64/15/130066415.db2.gz LEFTYOQMWUBQHB-KBPBESRZSA-N 0 1 285.391 3.920 20 0 CHADMN CO[C@@H]1CCCN([C@@H](C)c2ccccc2Br)C1 ZINC000341864883 130080784 /nfs/dbraw/zinc/08/07/84/130080784.db2.gz WTHUGZCXJMAWQE-NWDGAFQWSA-N 0 1 298.224 3.621 20 0 CHADMN FC(F)C1CCN(Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000341883895 130111340 /nfs/dbraw/zinc/11/13/40/130111340.db2.gz BMFDHMJTXRXOJD-UHFFFAOYSA-N 0 1 294.267 3.578 20 0 CHADMN Fc1cc(CN2CCC3(CCOCC3)CC2)ccc1Cl ZINC000341983676 130168451 /nfs/dbraw/zinc/16/84/51/130168451.db2.gz UIZLIOQFKKNNNF-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN C[C@H](c1cccnc1)N1CCC(CC(F)(F)F)CC1 ZINC000341996160 130188616 /nfs/dbraw/zinc/18/86/16/130188616.db2.gz SIJOLUPCCWYOFQ-LLVKDONJSA-N 0 1 272.314 3.807 20 0 CHADMN Cc1nc(CCN2CCC(CC(F)(F)F)CC2)cs1 ZINC000342004493 130193757 /nfs/dbraw/zinc/19/37/57/130193757.db2.gz YSSDPXVYAMEXDC-UHFFFAOYSA-N 0 1 292.370 3.658 20 0 CHADMN Fc1c(Cl)cccc1CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342043017 130216106 /nfs/dbraw/zinc/21/61/06/130216106.db2.gz FXKOEIMETLITSF-KGLIPLIRSA-N 0 1 283.774 3.623 20 0 CHADMN CC(C)C[C@@H](N)c1noc(CC2CCCCCC2)n1 ZINC000342031205 130248194 /nfs/dbraw/zinc/24/81/94/130248194.db2.gz WHXNBOXONRYPKO-CYBMUJFWSA-N 0 1 265.401 3.628 20 0 CHADMN CC[C@H](NCc1cc(C)no1)c1ccc(Cl)cc1 ZINC000044299656 522640769 /nfs/dbraw/zinc/64/07/69/522640769.db2.gz JDUPYNQQSVRNHV-AWEZNQCLSA-N 0 1 264.756 3.877 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000006590959 170217332 /nfs/dbraw/zinc/21/73/32/170217332.db2.gz ZPLIHBVIYTZGNA-BBRMVZONSA-N 0 1 275.392 3.668 20 0 CHADMN CSc1ccccc1NC(=O)[C@H](C)N1CCCCCC1 ZINC000007378256 170280922 /nfs/dbraw/zinc/28/09/22/170280922.db2.gz LPWVRQGRHKDTKK-ZDUSSCGKSA-N 0 1 292.448 3.612 20 0 CHADMN C[C@H](NCc1cccc(O)c1)c1cc2ccccc2o1 ZINC000008734351 170352090 /nfs/dbraw/zinc/35/20/90/170352090.db2.gz URISTMLSGUIIIC-LBPRGKRZSA-N 0 1 267.328 3.989 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN1[C@@H](C)CCC[C@@H]1C ZINC000009997639 170393858 /nfs/dbraw/zinc/39/38/58/170393858.db2.gz LRXJRTBHEZDKOT-STQMWFEESA-N 0 1 294.826 3.850 20 0 CHADMN Cc1cc(C)cc(NC(=O)CN2[C@H](C)CCC[C@H]2C)c1 ZINC000009997893 170394505 /nfs/dbraw/zinc/39/45/05/170394505.db2.gz QICDOXJYPZERQW-HUUCEWRRSA-N 0 1 274.408 3.505 20 0 CHADMN Cc1ccc(NC(=O)CN2[C@H](C)CCC[C@@H]2C)c(C)c1 ZINC000009997802 170394516 /nfs/dbraw/zinc/39/45/16/170394516.db2.gz HQFRGMGNEUDAHN-GASCZTMLSA-N 0 1 274.408 3.505 20 0 CHADMN C[C@@H](NCc1ccc(Cl)s1)c1ccncc1 ZINC000020121680 171001056 /nfs/dbraw/zinc/00/10/56/171001056.db2.gz NEDRDGKTDZFQEB-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN C[C@H](NCc1ccc2c(c1)OCO2)c1ccccc1Cl ZINC000020124368 171006197 /nfs/dbraw/zinc/00/61/97/171006197.db2.gz FDWKAUOBLCSBKS-NSHDSACASA-N 0 1 289.762 3.920 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@@H](C)c1cccnc1 ZINC000020127800 171013805 /nfs/dbraw/zinc/01/38/05/171013805.db2.gz FNWQUIINKLGAMF-KBPBESRZSA-N 0 1 270.376 3.810 20 0 CHADMN CCOc1ccccc1CN[C@@H]1CCCc2occc21 ZINC000020203907 171068586 /nfs/dbraw/zinc/06/85/86/171068586.db2.gz IGIXAQZXUOBHOH-OAHLLOKOSA-N 0 1 271.360 3.846 20 0 CHADMN C[C@H](N[C@H]1CCCc2occc21)c1cccc(O)c1 ZINC000020204582 171069552 /nfs/dbraw/zinc/06/95/52/171069552.db2.gz GTASSAZFGJNRGV-NHYWBVRUSA-N 0 1 257.333 3.713 20 0 CHADMN Cc1noc(C)c1CNCc1cccc(C(F)(F)F)c1 ZINC000020252904 171105033 /nfs/dbraw/zinc/10/50/33/171105033.db2.gz LMBSIVAUTBFQDC-UHFFFAOYSA-N 0 1 284.281 3.600 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1cccc(F)c1 ZINC000020307098 171142662 /nfs/dbraw/zinc/14/26/62/171142662.db2.gz DHXTYNLHTOVMSG-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN CCCOc1ccc(CNCc2ccco2)cc1OCC ZINC000020933420 171280960 /nfs/dbraw/zinc/28/09/60/171280960.db2.gz AINKKLIMPSPMAM-UHFFFAOYSA-N 0 1 289.375 3.757 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Br)cs2)C1 ZINC000043686937 175094313 /nfs/dbraw/zinc/09/43/13/175094313.db2.gz OTKHUOSVCGYOIV-SECBINFHSA-N 0 1 274.227 3.743 20 0 CHADMN C[C@H](NCc1ccccc1)c1nc2c(s1)CCCC2 ZINC000045205934 175327996 /nfs/dbraw/zinc/32/79/96/175327996.db2.gz QUCOQBDDTHECMM-LBPRGKRZSA-N 0 1 272.417 3.873 20 0 CHADMN Cc1ncsc1CN[C@@H](C)c1ccccc1Cl ZINC000071212271 176084429 /nfs/dbraw/zinc/08/44/29/176084429.db2.gz DHRFCEPSIAPCCS-VIFPVBQESA-N 0 1 266.797 3.956 20 0 CHADMN Cc1cccnc1CNCc1cc(Cl)cc(Cl)c1 ZINC000071339925 176129755 /nfs/dbraw/zinc/12/97/55/176129755.db2.gz ADEPINRYKRQPPH-UHFFFAOYSA-N 0 1 281.186 3.987 20 0 CHADMN Cc1ccc([C@@H](NC[C@H](C)O)c2ccccc2Cl)cc1 ZINC000179952840 260081894 /nfs/dbraw/zinc/08/18/94/260081894.db2.gz LTHAOCLZHPSLTG-SUMWQHHRSA-N 0 1 289.806 3.708 20 0 CHADMN CS[C@H]1CC[C@@H]1NCc1coc(-c2ccc(C)cc2)n1 ZINC000344957952 225216518 /nfs/dbraw/zinc/21/65/18/225216518.db2.gz TUIXFMSFYWFYBR-GJZGRUSLSA-N 0 1 288.416 3.634 20 0 CHADMN c1ccc(-c2nnc(CN3CC[C@@H]4CCC[C@H]43)s2)cc1 ZINC000334659215 225262123 /nfs/dbraw/zinc/26/21/23/225262123.db2.gz CYRZSTVAURAYEF-GXTWGEPZSA-N 0 1 285.416 3.580 20 0 CHADMN c1nc(-c2ccncc2)sc1CN1CC2(C1)CCCC2 ZINC000334646982 225253076 /nfs/dbraw/zinc/25/30/76/225253076.db2.gz VEXFBTXVQCNORV-UHFFFAOYSA-N 0 1 285.416 3.581 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(F)c(F)c1C ZINC000334873676 225342982 /nfs/dbraw/zinc/34/29/82/225342982.db2.gz SQDBMGJRNLMBJO-UHFFFAOYSA-N 0 1 293.317 3.680 20 0 CHADMN Cc1sccc1Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000346554518 225821784 /nfs/dbraw/zinc/82/17/84/225821784.db2.gz CFGYFYLIYPPXEQ-UHFFFAOYSA-N 0 1 296.355 3.574 20 0 CHADMN c1coc(CN(CCCc2ccncc2)Cc2ccco2)c1 ZINC000347366264 226136869 /nfs/dbraw/zinc/13/68/69/226136869.db2.gz RPCKUTNZAJPEBC-UHFFFAOYSA-N 0 1 296.370 3.903 20 0 CHADMN Cc1cccc(CN(C)[C@@H](C)c2cccc(F)c2)n1 ZINC000347358526 226150969 /nfs/dbraw/zinc/15/09/69/226150969.db2.gz HAPQRKAZEGMCRX-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN CN(C)[C@@H](CNc1ncccc1Cl)c1ccsc1 ZINC000347443908 226157823 /nfs/dbraw/zinc/15/78/23/226157823.db2.gz ZSZSGCFMBYVQSH-LBPRGKRZSA-N 0 1 281.812 3.511 20 0 CHADMN C[C@H]1CCCCN1Cc1cscc1Br ZINC000347674143 226218045 /nfs/dbraw/zinc/21/80/45/226218045.db2.gz MXLMYFPBKAKRTB-VIFPVBQESA-N 0 1 274.227 3.885 20 0 CHADMN Cc1ccccc1[C@H]1CCN(Cc2ccn(C(F)F)n2)C1 ZINC000347685050 226221561 /nfs/dbraw/zinc/22/15/61/226221561.db2.gz OUBHACFWAYVQMN-ZDUSSCGKSA-N 0 1 291.345 3.576 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1cscc1Br ZINC000347923330 226392754 /nfs/dbraw/zinc/39/27/54/226392754.db2.gz SXIUFZUAYAJJDW-RKDXNWHRSA-N 0 1 274.227 3.883 20 0 CHADMN COC[C@@H](N[C@H]1CC1(C)C)c1cccc(Cl)c1F ZINC000348370325 226452339 /nfs/dbraw/zinc/45/23/39/226452339.db2.gz FVFQVWRGBQVYJL-NEPJUHHUSA-N 0 1 271.763 3.555 20 0 CHADMN CSC1(CN(C)Cc2c(F)cccc2F)CCC1 ZINC000354343273 226962118 /nfs/dbraw/zinc/96/21/18/226962118.db2.gz LNQIIBGDVUWRHG-UHFFFAOYSA-N 0 1 271.376 3.682 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC[C@](C)(c3ccccc3)C2)o1 ZINC000354588375 227043284 /nfs/dbraw/zinc/04/32/84/227043284.db2.gz WXRXPDLNWVJECM-KDOFPFPSSA-N 0 1 299.418 3.747 20 0 CHADMN c1oc2ccccc2c1CN1CCOC[C@H]1CC1CCC1 ZINC000354718030 227082380 /nfs/dbraw/zinc/08/23/80/227082380.db2.gz BABJYUZCSCORMV-MRXNPFEDSA-N 0 1 285.387 3.824 20 0 CHADMN C[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)CC(C)(C)O1 ZINC000352732966 227193319 /nfs/dbraw/zinc/19/33/19/227193319.db2.gz ARAZHTKJUNWNBO-OAHLLOKOSA-N 0 1 296.414 3.748 20 0 CHADMN C[C@H](c1cnn(C)c1)N(C)Cc1ccc(C2CCC2)cc1 ZINC000352766101 227199428 /nfs/dbraw/zinc/19/94/28/227199428.db2.gz KXAZJXXAKXMUNS-CQSZACIVSA-N 0 1 283.419 3.881 20 0 CHADMN C[C@@H]1CSC[C@H]1NCc1csc(-c2ccsc2)n1 ZINC000352796576 227231975 /nfs/dbraw/zinc/23/19/75/227231975.db2.gz GRJQCDMSHPNSGR-BXKDBHETSA-N 0 1 296.486 3.713 20 0 CHADMN C[C@@H]1CCCN(Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000352797612 227233937 /nfs/dbraw/zinc/23/39/37/227233937.db2.gz JAYJMIDWJQMAHT-GFCCVEGCSA-N 0 1 291.826 3.849 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN[C@H]1CSC[C@@H]1C ZINC000352799884 227235904 /nfs/dbraw/zinc/23/59/04/227235904.db2.gz NFZZACGEJPPAEP-ZANVPECISA-N 0 1 294.445 3.553 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN[C@H]1CSC[C@H]1C ZINC000352799882 227236900 /nfs/dbraw/zinc/23/69/00/227236900.db2.gz NFZZACGEJPPAEP-RNCFNFMXSA-N 0 1 294.445 3.553 20 0 CHADMN C[C@@H]1CSC[C@@H]1NCc1csc(C2CCCC2)n1 ZINC000352801211 227239820 /nfs/dbraw/zinc/23/98/20/227239820.db2.gz RYDJKKVGVOGZRP-MFKMUULPSA-N 0 1 282.478 3.642 20 0 CHADMN Cc1oncc1CN([C@@H](C)c1ccccc1)C1CC1 ZINC000352829891 227306123 /nfs/dbraw/zinc/30/61/23/227306123.db2.gz IHYXYFGFWQTPTL-LBPRGKRZSA-N 0 1 256.349 3.709 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3ccc4c(c3)CCC4)ccc12 ZINC000354990635 227290943 /nfs/dbraw/zinc/29/09/43/227290943.db2.gz UBQXEKDPOQETHZ-UHFFFAOYSA-N 0 1 291.354 3.612 20 0 CHADMN COc1ccnc(CN([C@H](C)c2ccccc2)C2CC2)c1 ZINC000352834023 227308487 /nfs/dbraw/zinc/30/84/87/227308487.db2.gz UWNCJLITVVHZAZ-CQSZACIVSA-N 0 1 282.387 3.816 20 0 CHADMN COCc1cccc(CN2CCOc3ccc(C)cc3C2)c1 ZINC000352838993 227315429 /nfs/dbraw/zinc/31/54/29/227315429.db2.gz MYUROEDABVVCEC-UHFFFAOYSA-N 0 1 297.398 3.536 20 0 CHADMN Cc1nccc(N2CCc3ccc(F)cc3C2)c1Cl ZINC000355094555 227393235 /nfs/dbraw/zinc/39/32/35/227393235.db2.gz PUCLKGFRKQMYLC-UHFFFAOYSA-N 0 1 276.742 3.745 20 0 CHADMN Cc1cc(-c2nnc(CN3C[C@@H](C)CC[C@H]3C)o2)c(C)o1 ZINC000335917714 228024093 /nfs/dbraw/zinc/02/40/93/228024093.db2.gz LOCLTLSGRYXVJU-WDEREUQCSA-N 0 1 289.379 3.567 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C1CC(O)C1 ZINC000353484924 228109502 /nfs/dbraw/zinc/10/95/02/228109502.db2.gz KYKLYKGFESLWRA-PUSIOWJLSA-N 0 1 274.191 3.510 20 0 CHADMN C[C@H](NCc1ccccn1)c1ccc(C2CC2)cc1 ZINC000418106682 228110730 /nfs/dbraw/zinc/11/07/30/228110730.db2.gz CHLCOZDMUPRALV-ZDUSSCGKSA-N 0 1 252.361 3.810 20 0 CHADMN Cc1cc(C)c(CN[C@@H]2COCc3ccccc32)cc1C ZINC000418096276 228038210 /nfs/dbraw/zinc/03/82/10/228038210.db2.gz IEDPUVXZGJNQOA-LJQANCHMSA-N 0 1 281.399 3.973 20 0 CHADMN COc1ccccc1CNCc1ccc2[nH]c(C)cc2c1 ZINC000353121250 228061954 /nfs/dbraw/zinc/06/19/54/228061954.db2.gz CVTANWHFDGFZJW-UHFFFAOYSA-N 0 1 280.371 3.775 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)no1 ZINC000353252831 228075130 /nfs/dbraw/zinc/07/51/30/228075130.db2.gz KFLBGPQKAIPPGD-IPJQOSJUSA-N 0 1 286.375 3.587 20 0 CHADMN Cc1cncc(CN[C@H](C)c2nccc3ccccc32)c1 ZINC000353264730 228076264 /nfs/dbraw/zinc/07/62/64/228076264.db2.gz LMKABFFWKWFOSW-CQSZACIVSA-N 0 1 277.371 3.789 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1ncccc1C(F)(F)F ZINC000353310530 228083606 /nfs/dbraw/zinc/08/36/06/228083606.db2.gz SJGYJRNLTQQGJN-QWRGUYRKSA-N 0 1 272.314 3.863 20 0 CHADMN Clc1ccc2c(c1)CC[C@H]2NCc1ccc2cc[nH]c2n1 ZINC000353632740 228135801 /nfs/dbraw/zinc/13/58/01/228135801.db2.gz UQRPBYCWRVLEIB-MRXNPFEDSA-N 0 1 297.789 3.993 20 0 CHADMN COCc1nc(CN[C@H](C)CCCC(F)(F)F)cs1 ZINC000353654050 228140003 /nfs/dbraw/zinc/14/00/03/228140003.db2.gz ZPDSQNJOJYNLRU-SECBINFHSA-N 0 1 296.358 3.500 20 0 CHADMN c1cc2c(s1)CN(Cc1cnc(-c3ccccc3)[nH]1)CC2 ZINC000353673082 228143318 /nfs/dbraw/zinc/14/33/18/228143318.db2.gz OUCWRZYUTXWQPJ-UHFFFAOYSA-N 0 1 295.411 3.697 20 0 CHADMN Cc1ccc([C@H]2[C@@H](C)CCCN2Cc2nccn2C)cc1 ZINC000353823902 228156759 /nfs/dbraw/zinc/15/67/59/228156759.db2.gz MPSMBXMIAUNZBG-MAUKXSAKSA-N 0 1 283.419 3.702 20 0 CHADMN Cc1ccc(CCC(=O)Nc2cc(F)cc(Cl)c2O)o1 ZINC000353858925 228159788 /nfs/dbraw/zinc/15/97/88/228159788.db2.gz QOGNVXCBLHBJKS-UHFFFAOYSA-N 0 1 297.713 3.657 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](c2nccn2C)C2CC2)cc1 ZINC000353867869 228161058 /nfs/dbraw/zinc/16/10/58/228161058.db2.gz OOKULWVXGIXGNK-XJKSGUPXSA-N 0 1 269.392 3.530 20 0 CHADMN Cc1cc(C)cc(CN2CCc3ccc(O)cc3C2)c1 ZINC000351960734 228168741 /nfs/dbraw/zinc/16/87/41/228168741.db2.gz VZTQOWMGJWJCJP-UHFFFAOYSA-N 0 1 267.372 3.567 20 0 CHADMN C[C@@H](C(=O)Nc1cc(Cl)c(O)cc1F)c1ccsc1 ZINC000335957767 228169773 /nfs/dbraw/zinc/16/97/73/228169773.db2.gz SSYXFLUYMFOMSA-SSDOTTSWSA-N 0 1 299.754 3.988 20 0 CHADMN C[C@@H]1CCC[C@H](N(C)Cc2ncc(Cl)s2)C1 ZINC000351995917 228173181 /nfs/dbraw/zinc/17/31/81/228173181.db2.gz MKTAYEKTCIYYIG-ZJUUUORDSA-N 0 1 258.818 3.807 20 0 CHADMN Cc1ccc([C@@H]2CCCCCN2Cc2cnc(C)nc2)o1 ZINC000352016671 228174412 /nfs/dbraw/zinc/17/44/12/228174412.db2.gz YWRVCZBEQHUKFD-INIZCTEOSA-N 0 1 285.391 3.804 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@@H](C)C3(CCCCC3)C2)o1 ZINC000336029499 228179534 /nfs/dbraw/zinc/17/95/34/228179534.db2.gz CKNXPQQMQXGBNN-OLZOCXBDSA-N 0 1 277.412 3.731 20 0 CHADMN Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(C)c(O)c(C)c2)on1 ZINC000336039886 228181096 /nfs/dbraw/zinc/18/10/96/228181096.db2.gz PITPVUDOBGWBBX-HNNXBMFYSA-N 0 1 286.375 3.643 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2cc(C)c(O)c(C)c2)on1 ZINC000336039886 228181097 /nfs/dbraw/zinc/18/10/97/228181097.db2.gz PITPVUDOBGWBBX-HNNXBMFYSA-N 0 1 286.375 3.643 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2cc(C)sc2C)on1 ZINC000352096788 228182127 /nfs/dbraw/zinc/18/21/27/228182127.db2.gz KAJQZNLAXCBNEC-CQSZACIVSA-N 0 1 276.405 3.998 20 0 CHADMN Cc1cncc([C@@H](C)N[C@@H]2CSc3ccccc32)c1 ZINC000336048586 228182521 /nfs/dbraw/zinc/18/25/21/228182521.db2.gz SLSRWUZTWZKLKB-IUODEOHRSA-N 0 1 270.401 3.888 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2CCCC3(CC3)C2)cc1C ZINC000352273117 228212202 /nfs/dbraw/zinc/21/22/02/228212202.db2.gz GYDOCFRLENTJKD-HNNXBMFYSA-N 0 1 286.419 3.506 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(C)o2)cc1F ZINC000035016754 260004193 /nfs/dbraw/zinc/00/41/93/260004193.db2.gz ZVAYDLUQDQAGCV-LLVKDONJSA-N 0 1 263.312 3.587 20 0 CHADMN C[C@H](NCc1cnn(Cc2ccccc2)c1)c1cccs1 ZINC000035113699 260009518 /nfs/dbraw/zinc/00/95/18/260009518.db2.gz YWZZLYHRMDPEHJ-AWEZNQCLSA-N 0 1 297.427 3.844 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1Cc1cnc(C)s1 ZINC000185793702 260011916 /nfs/dbraw/zinc/01/19/16/260011916.db2.gz VXHLDRCVWZCGJZ-HNNXBMFYSA-N 0 1 272.417 3.788 20 0 CHADMN CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000036102530 260035552 /nfs/dbraw/zinc/03/55/52/260035552.db2.gz LYBYFCUYYKIFQS-GOSISDBHSA-N 0 1 287.378 3.599 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(O)c1)c1ccc2c(c1)OCO2 ZINC000036982029 260060675 /nfs/dbraw/zinc/06/06/75/260060675.db2.gz GJJLWJCVJJFGKP-NWDGAFQWSA-N 0 1 285.343 3.533 20 0 CHADMN Cc1ccn2c(CN(C)[C@H](C)c3ccccc3)cnc2c1 ZINC000179701449 260065358 /nfs/dbraw/zinc/06/53/58/260065358.db2.gz CSYGNBQHDOWNOE-OAHLLOKOSA-N 0 1 279.387 3.836 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@H](C)c1ccccc1)CCO2 ZINC000037185900 260073456 /nfs/dbraw/zinc/07/34/56/260073456.db2.gz HSGPLHRVHVEBTF-DYVFJYSZSA-N 0 1 283.371 3.870 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cnn(C(C)C)c2)cc1 ZINC000180049227 260090784 /nfs/dbraw/zinc/09/07/84/260090784.db2.gz IUOKXGKKBOTSOD-HNNXBMFYSA-N 0 1 271.408 3.965 20 0 CHADMN CCc1cccc(CN[C@@H](C)c2ccncc2OC)c1 ZINC000521383782 260092143 /nfs/dbraw/zinc/09/21/43/260092143.db2.gz DOXHWMXDUDNLOL-ZDUSSCGKSA-N 0 1 270.376 3.503 20 0 CHADMN C[C@H]1C[C@H](C)N1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000521384601 260092606 /nfs/dbraw/zinc/09/26/06/260092606.db2.gz PFJIZUAUDCKCLP-IUCAKERBSA-N 0 1 275.726 3.924 20 0 CHADMN COc1ccc(CN[C@@H](C)c2ccc(F)c(F)c2)cc1F ZINC000037496156 260113184 /nfs/dbraw/zinc/11/31/84/260113184.db2.gz MISMUGJXRPLJGZ-JTQLQIEISA-N 0 1 295.304 3.963 20 0 CHADMN COc1cccc([C@@H](C)NCc2cc(F)ccc2F)c1 ZINC000037771586 260116392 /nfs/dbraw/zinc/11/63/92/260116392.db2.gz HYIXZJFOERJIHA-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN COCc1ccccc1CN[C@H](C)c1cc(C)oc1C ZINC000037762768 260116562 /nfs/dbraw/zinc/11/65/62/260116562.db2.gz XCCMNCBZYGNFGU-CYBMUJFWSA-N 0 1 273.376 3.894 20 0 CHADMN COCc1ccccc1CN[C@H](C)c1cc(F)ccc1F ZINC000037762638 260117113 /nfs/dbraw/zinc/11/71/13/260117113.db2.gz LDHKIDFHZXSQHA-GFCCVEGCSA-N 0 1 291.341 3.962 20 0 CHADMN Cc1cccc(CNCc2ccc3ccccc3n2)c1 ZINC000037871857 260119051 /nfs/dbraw/zinc/11/90/51/260119051.db2.gz VEMACBMPNCOITL-UHFFFAOYSA-N 0 1 262.356 3.833 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN[C@@H](CCO)c1ccco1 ZINC000187529645 260143664 /nfs/dbraw/zinc/14/36/64/260143664.db2.gz DBGXTXSDZOPGHR-HNNXBMFYSA-N 0 1 293.794 3.763 20 0 CHADMN NC1(c2noc(-c3coc4ccccc34)n2)CCCCC1 ZINC000070393360 260157092 /nfs/dbraw/zinc/15/70/92/260157092.db2.gz QVGFIGFGBLELME-UHFFFAOYSA-N 0 1 283.331 3.601 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1nccn1C ZINC000070444462 260157304 /nfs/dbraw/zinc/15/73/04/260157304.db2.gz WKFUNPATUUCOFH-KBPBESRZSA-N 0 1 283.419 3.711 20 0 CHADMN CC(C)C[C@@H](N[C@@H](C)c1nccn1C)c1ccccc1 ZINC000070444327 260157543 /nfs/dbraw/zinc/15/75/43/260157543.db2.gz VZLPWCTYXXKMHE-GOEBONIOSA-N 0 1 271.408 3.858 20 0 CHADMN C[C@@H](N[C@@H](C)c1nccn1C)c1cccc2ccccc21 ZINC000070443621 260157662 /nfs/dbraw/zinc/15/76/62/260157662.db2.gz RQUVFJMHJVNHAS-KGLIPLIRSA-N 0 1 279.387 3.985 20 0 CHADMN C[N@@H+](Cc1ccccc1)Cc1ccc2ccccc2n1 ZINC000072816063 260164704 /nfs/dbraw/zinc/16/47/04/260164704.db2.gz WGAJTUWFEHCOME-UHFFFAOYSA-N 0 1 262.356 3.867 20 0 CHADMN CN(Cc1ccccc1)Cc1ccc2ccccc2n1 ZINC000072816063 260164706 /nfs/dbraw/zinc/16/47/06/260164706.db2.gz WGAJTUWFEHCOME-UHFFFAOYSA-N 0 1 262.356 3.867 20 0 CHADMN Clc1cc(CNC[C@@H]2CCCCO2)c(Cl)s1 ZINC000312591986 260165861 /nfs/dbraw/zinc/16/58/61/260165861.db2.gz ZAGLBJWWPJGAEM-VIFPVBQESA-N 0 1 280.220 3.714 20 0 CHADMN CC[C@@H](NCc1cccc2[nH]ccc21)c1nccs1 ZINC000078004910 260167986 /nfs/dbraw/zinc/16/79/86/260167986.db2.gz PFIBXMYSRMVYIF-CYBMUJFWSA-N 0 1 271.389 3.865 20 0 CHADMN COc1ccc([C@@H](C)NCc2sc(C)nc2C)cc1F ZINC000080692967 260181394 /nfs/dbraw/zinc/18/13/94/260181394.db2.gz FIMUEYMAEDHMDB-SECBINFHSA-N 0 1 294.395 3.758 20 0 CHADMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1ccc(F)cc1C(=O)[O-])C1CC1 ZINC000521633553 260198025 /nfs/dbraw/zinc/19/80/25/260198025.db2.gz GPOZPHJOMYBUKD-VXGBXAGGSA-N 0 1 293.382 3.923 20 0 CHADMN C[C@H](C[N@@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000086807122 260210209 /nfs/dbraw/zinc/21/02/09/260210209.db2.gz WOCHSYLFABTRAN-OLZOCXBDSA-N 0 1 277.408 3.698 20 0 CHADMN CC[C@@H](N[C@H](C)c1cn(C)nc1C)c1ccccc1OC ZINC000087407908 260213789 /nfs/dbraw/zinc/21/37/89/260213789.db2.gz DHPBIJSMIOFTEY-MLGOLLRUSA-N 0 1 287.407 3.539 20 0 CHADMN COc1ccc(Br)c(CN(C)C[C@H]2C[C@@H]2C)c1 ZINC000087798522 260228059 /nfs/dbraw/zinc/22/80/59/260228059.db2.gz JSAMZUFARKUCAV-WDEREUQCSA-N 0 1 298.224 3.546 20 0 CHADMN COC(=O)c1ccc([C@H](C)N(C)Cc2ccccc2C)o1 ZINC000088264022 260229816 /nfs/dbraw/zinc/22/98/16/260229816.db2.gz QKDLQLJPJUMJKC-ZDUSSCGKSA-N 0 1 287.359 3.568 20 0 CHADMN CN(Cc1ccn(-c2ccc(F)cc2F)n1)C1CCCC1 ZINC000190175734 260262041 /nfs/dbraw/zinc/26/20/41/260262041.db2.gz DOPIIRNRVCJUBQ-UHFFFAOYSA-N 0 1 291.345 3.525 20 0 CHADMN Cc1[nH]ncc1CNc1cc(C(F)(F)F)ccc1C ZINC000091478907 260265834 /nfs/dbraw/zinc/26/58/34/260265834.db2.gz AAKPYQWHSLBZJP-UHFFFAOYSA-N 0 1 269.270 3.657 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000092195302 260269102 /nfs/dbraw/zinc/26/91/02/260269102.db2.gz IQXKOMGDVPNQJM-CHWSQXEVSA-N 0 1 258.340 3.941 20 0 CHADMN Cc1noc(C)c1CN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000092328570 260269274 /nfs/dbraw/zinc/26/92/74/260269274.db2.gz FUNXFTGMQHUDFB-MRXNPFEDSA-N 0 1 274.339 3.671 20 0 CHADMN CC(C)CCO[C@@H]1CCCC[C@H]1NCc1cscn1 ZINC000158430793 260278239 /nfs/dbraw/zinc/27/82/39/260278239.db2.gz XLZGGSGVAMDKIX-HUUCEWRRSA-N 0 1 282.453 3.607 20 0 CHADMN Brc1ccsc1CN1C2CCC1CC2 ZINC000306772914 260344026 /nfs/dbraw/zinc/34/40/26/260344026.db2.gz HWSNHNLPOMJARB-UHFFFAOYSA-N 0 1 272.211 3.637 20 0 CHADMN CC(C)[C@@H]1CN(Cc2ccc(F)c(Cl)c2)CCCO1 ZINC000517972766 260329999 /nfs/dbraw/zinc/32/99/99/260329999.db2.gz RPJPTBNQUUORFL-HNNXBMFYSA-N 0 1 285.790 3.726 20 0 CHADMN COc1ccnc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC000518059692 260339961 /nfs/dbraw/zinc/33/99/61/260339961.db2.gz ZQTOOGFZYHBURZ-KRWDZBQOSA-N 0 1 296.414 3.545 20 0 CHADMN C[C@@H](N[C@H]1CCc2cc(F)ccc21)c1ccccn1 ZINC000128171947 260372656 /nfs/dbraw/zinc/37/26/56/260372656.db2.gz SLWQZLHOGFZJIP-BZNIZROVSA-N 0 1 256.324 3.559 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cn(C)nc2C(F)(F)F)cc1 ZINC000090666345 260464832 /nfs/dbraw/zinc/46/48/32/260464832.db2.gz PFVMPSWLXRSOCG-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN CCc1ccc([C@H](C)NCc2cccc(N(C)C)n2)cc1 ZINC000090852106 260467947 /nfs/dbraw/zinc/46/79/47/260467947.db2.gz OZJIMHZNSZIHLV-AWEZNQCLSA-N 0 1 283.419 3.561 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N(C)CCOc1ccccc1 ZINC000180932864 260549929 /nfs/dbraw/zinc/54/99/29/260549929.db2.gz FAJAMGSHUCJEBY-CQSZACIVSA-N 0 1 296.370 3.900 20 0 CHADMN CO[C@@H]1CCN(Cc2cc(F)cc(Cl)c2)CC1(C)C ZINC000449495459 260658988 /nfs/dbraw/zinc/65/89/88/260658988.db2.gz DLSUVUXQZVXUAE-CQSZACIVSA-N 0 1 285.790 3.726 20 0 CHADMN Fc1ccc(Br)c(CN2CC[C@H]3CCC[C@H]32)c1 ZINC000426461488 260784349 /nfs/dbraw/zinc/78/43/49/260784349.db2.gz SPQGDCSMUAECNE-QMTHXVAHSA-N 0 1 298.199 3.963 20 0 CHADMN CCCC[C@H](Sc1nc2ccc(C)cc2[nH]1)C(=O)OC ZINC000168729720 260906542 /nfs/dbraw/zinc/90/65/42/260906542.db2.gz NVQBQPFNFHICHL-ZDUSSCGKSA-N 0 1 292.404 3.695 20 0 CHADMN CC(C)(C)c1cnc(CN2CCCCCC2)s1 ZINC000448213561 260967422 /nfs/dbraw/zinc/96/74/22/260967422.db2.gz MTFNTSRJYUIWHU-UHFFFAOYSA-N 0 1 252.427 3.817 20 0 CHADMN Cc1cnc([C@H](NCc2ccc3[nH]cnc3c2)C2CC2)s1 ZINC000525709626 261055217 /nfs/dbraw/zinc/05/52/17/261055217.db2.gz UZBOISXMBIJBNQ-OAHLLOKOSA-N 0 1 298.415 3.569 20 0 CHADMN Cc1cnc([C@H](NCc2ccc3nc[nH]c3c2)C2CC2)s1 ZINC000525709626 261055219 /nfs/dbraw/zinc/05/52/19/261055219.db2.gz UZBOISXMBIJBNQ-OAHLLOKOSA-N 0 1 298.415 3.569 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnn(CC)c1)c1ccc(F)cc1F ZINC000151823245 261056176 /nfs/dbraw/zinc/05/61/76/261056176.db2.gz YEDPNAHAWNMQTB-ZBEGNZNMSA-N 0 1 293.361 3.983 20 0 CHADMN CCCCN(C)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000151886730 261056695 /nfs/dbraw/zinc/05/66/95/261056695.db2.gz KLPORNCIZDSRPK-LBPRGKRZSA-N 0 1 289.379 3.538 20 0 CHADMN C[C@@H](NCc1ccccc1OCC1CC1)c1cccnc1 ZINC000151862379 261056706 /nfs/dbraw/zinc/05/67/06/261056706.db2.gz AGQKCDVIIUSYII-CQSZACIVSA-N 0 1 282.387 3.721 20 0 CHADMN CCc1nc(C)c([C@@H](C)N[C@@H](C)c2ccccn2)s1 ZINC000152318328 261062999 /nfs/dbraw/zinc/06/29/99/261062999.db2.gz IJYQDIJIISCPTM-WDEREUQCSA-N 0 1 275.421 3.821 20 0 CHADMN CCOc1cccc([C@H](C)N[C@@H](C)c2ccccn2)c1 ZINC000152362338 261063493 /nfs/dbraw/zinc/06/34/93/261063493.db2.gz PENRNSCQRKOQDM-KBPBESRZSA-N 0 1 270.376 3.892 20 0 CHADMN C[C@@H](N[C@H]1CCCOC1)c1nc(-c2ccccc2)cs1 ZINC000153473196 261078963 /nfs/dbraw/zinc/07/89/63/261078963.db2.gz HVSJEPXDTRSJPL-OCCSQVGLSA-N 0 1 288.416 3.640 20 0 CHADMN Fc1cnccc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000449010348 261085010 /nfs/dbraw/zinc/08/50/10/261085010.db2.gz SKQVHHGCIWFZLO-MRXNPFEDSA-N 0 1 256.324 3.558 20 0 CHADMN Fc1cnccc1CN1CCC[C@@H]1c1ccccc1 ZINC000449010348 261085012 /nfs/dbraw/zinc/08/50/12/261085012.db2.gz SKQVHHGCIWFZLO-MRXNPFEDSA-N 0 1 256.324 3.558 20 0 CHADMN CCN(CCc1ccccc1)[C@@H](C)c1nc(C2CC2)no1 ZINC000154056658 261087452 /nfs/dbraw/zinc/08/74/52/261087452.db2.gz UTVGHMHHDDLOGV-ZDUSSCGKSA-N 0 1 285.391 3.573 20 0 CHADMN CC(C)=CC(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000154212175 261089330 /nfs/dbraw/zinc/08/93/30/261089330.db2.gz HCUQKJDXJGBUCY-AWEZNQCLSA-N 0 1 297.402 3.544 20 0 CHADMN CC[C@H](NCc1c(C)nn(C)c1C)c1ccc(F)cc1F ZINC000154561282 261093276 /nfs/dbraw/zinc/09/32/76/261093276.db2.gz CPPIELHRFULSGE-INIZCTEOSA-N 0 1 293.361 3.556 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccccc3)c2C)o1 ZINC000161564648 261095309 /nfs/dbraw/zinc/09/53/09/261095309.db2.gz XUMPCSAPFXCVRI-UHFFFAOYSA-N 0 1 281.315 3.539 20 0 CHADMN CC(C)(C)c1cnc(CN2C[C@@H]3CCC[C@@H]3C2)s1 ZINC000448335003 261116992 /nfs/dbraw/zinc/11/69/92/261116992.db2.gz NDNZVRBZCPILQB-TXEJJXNPSA-N 0 1 264.438 3.673 20 0 CHADMN C[C@H](NCc1ccnc(OC2CCCC2)c1)c1ccncc1 ZINC000156444370 261122980 /nfs/dbraw/zinc/12/29/80/261122980.db2.gz CSSXCJYPLILGIO-AWEZNQCLSA-N 0 1 297.402 3.649 20 0 CHADMN Cc1cc(N2CCSC[C@@H]2C)c2cc(F)ccc2n1 ZINC000360884260 261124696 /nfs/dbraw/zinc/12/46/96/261124696.db2.gz NQKDBOKNOKLGFA-NSHDSACASA-N 0 1 276.380 3.624 20 0 CHADMN Cc1cccc(CNCc2ccnn2C2CCCC2)c1 ZINC000449076190 261150741 /nfs/dbraw/zinc/15/07/41/261150741.db2.gz WQLDYGGYZSFWHQ-UHFFFAOYSA-N 0 1 269.392 3.596 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[N@@H+](CCCC(=O)[O-])C1CC1 ZINC000157768942 261151682 /nfs/dbraw/zinc/15/16/82/261151682.db2.gz RMBDEIBDCUFNJL-NSHDSACASA-N 0 1 281.783 3.730 20 0 CHADMN CCCCc1noc([C@@H](C)N[C@H](C)C2CCCC2)n1 ZINC000172170793 261152509 /nfs/dbraw/zinc/15/25/09/261152509.db2.gz LWMCBHGNKHQBSE-VXGBXAGGSA-N 0 1 265.401 3.642 20 0 CHADMN C[C@H](N[C@@H](C)C1CCCC1)c1nc(C(C)(C)C)no1 ZINC000172168318 261152563 /nfs/dbraw/zinc/15/25/63/261152563.db2.gz AULBEBZLHSKNQA-QWRGUYRKSA-N 0 1 265.401 3.596 20 0 CHADMN C[C@H](N[C@H]1CCCOc2ccccc21)c1ccccn1 ZINC000158914028 261173357 /nfs/dbraw/zinc/17/33/57/261173357.db2.gz IZQXUDKGPKVULX-BBRMVZONSA-N 0 1 268.360 3.646 20 0 CHADMN C[C@@H](N[C@H]1CCCOc2ccccc21)c1ccccn1 ZINC000158914174 261173401 /nfs/dbraw/zinc/17/34/01/261173401.db2.gz IZQXUDKGPKVULX-CJNGLKHVSA-N 0 1 268.360 3.646 20 0 CHADMN CC(C)C1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000174379816 261184562 /nfs/dbraw/zinc/18/45/62/261184562.db2.gz VAFKAZGCHCXWHQ-UHFFFAOYSA-N 0 1 281.783 3.554 20 0 CHADMN OC1CCN(Cc2ccc(Sc3ccccc3)cc2)CC1 ZINC000162255931 261274549 /nfs/dbraw/zinc/27/45/49/261274549.db2.gz PLJPEFBNJOBWAG-UHFFFAOYSA-N 0 1 299.439 3.795 20 0 CHADMN CCS[C@H]1CC[C@@H](N(C)Cc2nc(C)c(C)s2)C1 ZINC000176386599 261281021 /nfs/dbraw/zinc/28/10/21/261281021.db2.gz KFMMWWNRNGJGBV-OLZOCXBDSA-N 0 1 284.494 3.866 20 0 CHADMN CCCC1CCC(N(Cc2nnc(C)n2C)C(C)C)CC1 ZINC000103491241 261284209 /nfs/dbraw/zinc/28/42/09/261284209.db2.gz MYPMHJOMBAZVOR-UHFFFAOYSA-N 0 1 292.471 3.693 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1ncc(C)c(OC)c1C ZINC000162540510 261285208 /nfs/dbraw/zinc/28/52/08/261285208.db2.gz JFNDXACTXGZNCR-QGZVFWFLSA-N 0 1 299.418 3.685 20 0 CHADMN Cc1ccc(OCc2nc(CNC(C)(C)C)cs2)cc1 ZINC000102794174 261290758 /nfs/dbraw/zinc/29/07/58/261290758.db2.gz WQTPLPPBFLCXLD-UHFFFAOYSA-N 0 1 290.432 3.919 20 0 CHADMN C[C@@H](NCc1cccc(N(C)C)n1)c1ccc(Cl)cc1 ZINC000163129461 261306372 /nfs/dbraw/zinc/30/63/72/261306372.db2.gz PYLFUNYIVWRAAZ-GFCCVEGCSA-N 0 1 289.810 3.652 20 0 CHADMN CC[C@H](N[C@H](C)c1cccnc1Cl)c1ccncc1 ZINC000163679371 261325075 /nfs/dbraw/zinc/32/50/75/261325075.db2.gz ZVHQUVXDODSQPV-RISCZKNCSA-N 0 1 275.783 3.932 20 0 CHADMN Cc1nc(C(C)C)sc1[C@@H](C)N[C@@H](C)c1cnn(C)c1 ZINC000163854879 261331641 /nfs/dbraw/zinc/33/16/41/261331641.db2.gz YVBFBJGVWKQSFB-WDEREUQCSA-N 0 1 292.452 3.720 20 0 CHADMN C[C@H](N(C)Cc1ncc(-c2ccccc2)o1)C1(C)CC1 ZINC000177234331 261341918 /nfs/dbraw/zinc/34/19/18/261341918.db2.gz KMDUYNVRYDWVMJ-ZDUSSCGKSA-N 0 1 270.376 3.962 20 0 CHADMN Cc1cccc(NC[C@H](C)COCc2ccccc2)n1 ZINC000302247049 261351515 /nfs/dbraw/zinc/35/15/15/261351515.db2.gz TZKQGPHXODUQDT-AWEZNQCLSA-N 0 1 270.376 3.655 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccccn2)c2ccccc2n1 ZINC000105414839 261358541 /nfs/dbraw/zinc/35/85/41/261358541.db2.gz VHTBLMKYPGWRCC-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN CCc1noc(CC)c1CN[C@@H](C)c1ccc(OC)cc1 ZINC000166990064 261395626 /nfs/dbraw/zinc/39/56/26/261395626.db2.gz MGFDQLCGJSONFQ-LBPRGKRZSA-N 0 1 288.391 3.659 20 0 CHADMN CCC[C@@H]1CCCN(Cc2nc3ccc(F)cc3o2)C1 ZINC000466490928 261413481 /nfs/dbraw/zinc/41/34/81/261413481.db2.gz PNAZXKCDONXIKQ-GFCCVEGCSA-N 0 1 276.355 3.979 20 0 CHADMN C[C@@H](NC1(c2ccccc2)CCC1)c1ccccn1 ZINC000180344739 261855046 /nfs/dbraw/zinc/85/50/46/261855046.db2.gz FGCYQYGDWOBXAE-CQSZACIVSA-N 0 1 252.361 3.812 20 0 CHADMN CC(C)(C)c1ccc(CN[C@@H](CCO)c2ccco2)s1 ZINC000184503446 262021617 /nfs/dbraw/zinc/02/16/17/262021617.db2.gz MZHGTCJEBVZSRV-ZDUSSCGKSA-N 0 1 293.432 3.852 20 0 CHADMN CC(=O)CCCC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000184725399 262028098 /nfs/dbraw/zinc/02/80/98/262028098.db2.gz BHIFXEPAEAUZMW-UHFFFAOYSA-N 0 1 299.374 3.528 20 0 CHADMN Cc1cnc([C@@H](C)NCCOc2ccc(Cl)cc2)s1 ZINC000184975312 262035513 /nfs/dbraw/zinc/03/55/13/262035513.db2.gz ZUWRXLWZUAWNCD-LLVKDONJSA-N 0 1 296.823 3.835 20 0 CHADMN CCc1nnc(CNC2(Cc3ccccc3)CCCCC2)o1 ZINC000185458925 262055218 /nfs/dbraw/zinc/05/52/18/262055218.db2.gz XAIGGRULXUJBNP-UHFFFAOYSA-N 0 1 299.418 3.667 20 0 CHADMN Oc1cc(F)cc(CNC2(c3ccccc3)CCC2)c1 ZINC000185501383 262056873 /nfs/dbraw/zinc/05/68/73/262056873.db2.gz BYHHDUWELSVDNV-UHFFFAOYSA-N 0 1 271.335 3.700 20 0 CHADMN CCSc1cccc(CN[C@@H](CO)c2ccccc2)c1 ZINC000185539034 262059392 /nfs/dbraw/zinc/05/93/92/262059392.db2.gz XCOFZAHLPAWYSI-KRWDZBQOSA-N 0 1 287.428 3.622 20 0 CHADMN C[C@@H](CN1CCC(C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000186058372 262077464 /nfs/dbraw/zinc/07/74/64/262077464.db2.gz XDFCBRQVLREPRA-LBPRGKRZSA-N 0 1 299.336 3.634 20 0 CHADMN COc1ccsc1[C@H](C)NCc1cc(F)cc(OC)c1 ZINC000186237653 262085052 /nfs/dbraw/zinc/08/50/52/262085052.db2.gz JOHBPIPOTMRJLI-JTQLQIEISA-N 0 1 295.379 3.755 20 0 CHADMN C[C@H](NCCOCc1ccccc1)c1cc(F)ccc1F ZINC000390052619 262095364 /nfs/dbraw/zinc/09/53/64/262095364.db2.gz JWWYFBYOFXJARO-ZDUSSCGKSA-N 0 1 291.341 3.832 20 0 CHADMN OCC[C@H](N[C@H]1CCCCc2ccccc21)c1ccco1 ZINC000186530904 262097128 /nfs/dbraw/zinc/09/71/28/262097128.db2.gz LIUQBVVPOIFMBZ-IRXDYDNUSA-N 0 1 285.387 3.760 20 0 CHADMN Cc1cc(C)c([C@@H](C)N[C@H](CCO)c2ccco2)cc1C ZINC000186541143 262098513 /nfs/dbraw/zinc/09/85/13/262098513.db2.gz PKACNBWOGSSTLF-NVXWUHKLSA-N 0 1 287.403 3.979 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccco1)c1ccc2c(c1)CCCC2 ZINC000186557178 262098866 /nfs/dbraw/zinc/09/88/66/262098866.db2.gz OVXBGPZZWQMBTN-RDTXWAMCSA-N 0 1 299.414 3.933 20 0 CHADMN OCC[C@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccco1 ZINC000186562793 262099086 /nfs/dbraw/zinc/09/90/86/262099086.db2.gz PZOIDCDGMRHBHF-CABCVRRESA-N 0 1 291.778 3.634 20 0 CHADMN Cc1ccccc1-c1noc([C@H](C)N2CCCC3(CC3)C2)n1 ZINC000186975941 262119138 /nfs/dbraw/zinc/11/91/38/262119138.db2.gz MGZAJGFHBKFTHM-AWEZNQCLSA-N 0 1 297.402 3.982 20 0 CHADMN Cc1ccc2nc(SCc3cncc(C)c3)[nH]c2c1 ZINC000189773551 262175872 /nfs/dbraw/zinc/17/58/72/262175872.db2.gz BMTBJXNXQKJJSF-UHFFFAOYSA-N 0 1 269.373 3.867 20 0 CHADMN CC(C)[C@@H](NCc1ccc(F)cc1)c1ccc(F)cn1 ZINC000497841394 262218008 /nfs/dbraw/zinc/21/80/08/262218008.db2.gz QQRJAIRAJWWVKG-MRXNPFEDSA-N 0 1 276.330 3.847 20 0 CHADMN CCc1cnc(CN2CCC[C@@H]2Cc2ccc(F)cc2)o1 ZINC000525783351 262232021 /nfs/dbraw/zinc/23/20/21/262232021.db2.gz NKUAPDGMEUCIEA-OAHLLOKOSA-N 0 1 288.366 3.583 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(O)cc(F)c2)cc1F ZINC000184138185 262271480 /nfs/dbraw/zinc/27/14/80/262271480.db2.gz NSXJJKQTZUNTDG-JTQLQIEISA-N 0 1 293.313 3.530 20 0 CHADMN C[C@H](NCc1ccc(C(C)(C)O)cc1)c1ccccc1F ZINC000184674853 262292083 /nfs/dbraw/zinc/29/20/83/262292083.db2.gz DWXNYYPSCJIMQS-ZDUSSCGKSA-N 0 1 287.378 3.904 20 0 CHADMN CSC[C@H](C)N[C@H](C)c1csc(C(C)C)n1 ZINC000186347059 262313896 /nfs/dbraw/zinc/31/38/96/262313896.db2.gz NPTJEMYOSCOFBB-VHSXEESVSA-N 0 1 258.456 3.669 20 0 CHADMN FC(F)[C@H]1C[C@@H]1NCc1cccc(Cl)c1Cl ZINC000393453866 262366159 /nfs/dbraw/zinc/36/61/59/262366159.db2.gz YTMVBOVHVMMFHP-CBAPKCEASA-N 0 1 266.118 3.737 20 0 CHADMN Cc1cnc(CN[C@H](C)c2ccc3c(c2)CCCC3)cn1 ZINC000061320314 262393598 /nfs/dbraw/zinc/39/35/98/262393598.db2.gz IYXOTJHQKFEPMQ-CQSZACIVSA-N 0 1 281.403 3.515 20 0 CHADMN CCCCOCCNCc1nc(-c2ccccc2)cs1 ZINC000061680936 262401654 /nfs/dbraw/zinc/40/16/54/262401654.db2.gz MZCYBVJXDCECDY-UHFFFAOYSA-N 0 1 290.432 3.716 20 0 CHADMN CCc1nocc1CNCc1ccc(C(C)(F)F)cc1 ZINC000339416440 262639684 /nfs/dbraw/zinc/63/96/84/262639684.db2.gz FWZRRHGEPKVIDF-UHFFFAOYSA-N 0 1 280.318 3.639 20 0 CHADMN FC(F)(F)CCN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412001449 262713565 /nfs/dbraw/zinc/71/35/65/262713565.db2.gz QBJXVHSZOIPWCP-AWEZNQCLSA-N 0 1 299.336 3.793 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)Nc1ccc2ccoc2c1 ZINC000445264620 262759498 /nfs/dbraw/zinc/75/94/98/262759498.db2.gz STJNTAGOUHITFM-UHFFFAOYSA-N 0 1 269.304 3.532 20 0 CHADMN CC[C@@H](N[C@H]1C[C@@H](C)n2ccnc21)c1ccccc1 ZINC000414225640 262828854 /nfs/dbraw/zinc/82/88/54/262828854.db2.gz SKWZTWSXOBBDGE-YUELXQCFSA-N 0 1 255.365 3.630 20 0 CHADMN CCc1ccc(CN(Cc2ccc(C)nn2)C2CC2)cc1 ZINC000414373999 262854669 /nfs/dbraw/zinc/85/46/69/262854669.db2.gz UJAAPRUCWJYGDJ-UHFFFAOYSA-N 0 1 281.403 3.512 20 0 CHADMN COc1c(O)cccc1CN(Cc1cccs1)C(C)C ZINC000272269198 263002949 /nfs/dbraw/zinc/00/29/49/263002949.db2.gz LFFUHONVETVXCV-UHFFFAOYSA-N 0 1 291.416 3.873 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2CC[C@H](C)[C@H](C)C2)n1 ZINC000414609752 263008961 /nfs/dbraw/zinc/00/89/61/263008961.db2.gz APSJLPAJPGLANT-LOWDOPEQSA-N 0 1 265.401 3.655 20 0 CHADMN Cc1ccc(/C=C\Cc2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000414611636 263009419 /nfs/dbraw/zinc/00/94/19/263009419.db2.gz CIBBSZKYPMKNAL-XVWMLYKFSA-N 0 1 285.391 3.680 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000414611879 263009502 /nfs/dbraw/zinc/00/95/02/263009502.db2.gz CYUULQGVWAFGJG-AEJSXWLSSA-N 0 1 291.317 3.562 20 0 CHADMN Cc1cc(Cl)cc(-c2nc([C@@H](N)CC(C)C)no2)c1 ZINC000414617092 263010706 /nfs/dbraw/zinc/01/07/06/263010706.db2.gz IQDCTQYAACRNRI-LBPRGKRZSA-N 0 1 279.771 3.744 20 0 CHADMN Cc1ccsc1CCCc1nc([C@H](N)CC(C)C)no1 ZINC000414618740 263012529 /nfs/dbraw/zinc/01/25/29/263012529.db2.gz NBXIQXRYFYVKON-GFCCVEGCSA-N 0 1 293.436 3.661 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@H]2CC23CCCCC3)n1 ZINC000414621345 263013918 /nfs/dbraw/zinc/01/39/18/263013918.db2.gz MAXWXKZUTYNGKL-VXGBXAGGSA-N 0 1 263.385 3.553 20 0 CHADMN C[C@@H]1C[C@@H](c2nc(C3(N)CCCC3)no2)CC(C)(C)C1 ZINC000414624816 263014907 /nfs/dbraw/zinc/01/49/07/263014907.db2.gz HGNURIFYADHXEG-VXGBXAGGSA-N 0 1 277.412 3.727 20 0 CHADMN CCSc1ccc(-c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000414625887 263016189 /nfs/dbraw/zinc/01/61/89/263016189.db2.gz XEWXNCXCWUUNBL-ZDUSSCGKSA-N 0 1 291.420 3.895 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H]2CCCC(C)(C)C2)n1 ZINC000414627637 263016791 /nfs/dbraw/zinc/01/67/91/263016791.db2.gz ZLBSQROSQWNADH-RYUDHWBXSA-N 0 1 265.401 3.799 20 0 CHADMN CCCc1cc(-c2nc(C3(N)CCC3)no2)ccc1Cl ZINC000414629946 263016943 /nfs/dbraw/zinc/01/69/43/263016943.db2.gz RQWNYTADGXCQRV-UHFFFAOYSA-N 0 1 291.782 3.680 20 0 CHADMN NC1(c2noc(/C(F)=C\C3CCCCC3)n2)CCCC1 ZINC000414631437 263017443 /nfs/dbraw/zinc/01/74/43/263017443.db2.gz XGYJUJBKFVCFJY-ZRDIBKRKSA-N 0 1 279.359 3.688 20 0 CHADMN NC1(c2noc(-c3ccc(C4=CCCC4)cc3)n2)CCC1 ZINC000414631033 263017453 /nfs/dbraw/zinc/01/74/53/263017453.db2.gz VZRSLTCJFBDEKT-UHFFFAOYSA-N 0 1 281.359 3.642 20 0 CHADMN Cc1ccccc1-c1ccccc1C[N@@H+](C)CCCC(=O)[O-] ZINC000414635924 263018563 /nfs/dbraw/zinc/01/85/63/263018563.db2.gz IYTOFOCUBOROOP-UHFFFAOYSA-N 0 1 297.398 3.959 20 0 CHADMN CC(C)C[C@H](C[N@@H+](C)CCCC(=O)[O-])c1ccccc1 ZINC000414641970 263019630 /nfs/dbraw/zinc/01/96/30/263019630.db2.gz VHBGOARTNWPSHC-MRXNPFEDSA-N 0 1 277.408 3.613 20 0 CHADMN CCCC1CCC(C[N@@H+](CC(=O)[O-])[C@@H](C)CC)CC1 ZINC000414686706 263032296 /nfs/dbraw/zinc/03/22/96/263032296.db2.gz VSAGXLNJEXOMMH-NFOMZHRRSA-N 0 1 269.429 3.778 20 0 CHADMN COc1ccc2nc(CN3CC(C)=C[C@H](C)C3)sc2c1 ZINC000430290494 263034659 /nfs/dbraw/zinc/03/46/59/263034659.db2.gz QZSWLGHRCNEZFN-NSHDSACASA-N 0 1 288.416 3.703 20 0 CHADMN C[C@H]1CCSCCN1Cc1coc(-c2ccccc2)n1 ZINC000276815841 263038205 /nfs/dbraw/zinc/03/82/05/263038205.db2.gz ORYZQJMQDPXUIM-ZDUSSCGKSA-N 0 1 288.416 3.669 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2cc(C)oc2C)n[nH]1 ZINC000278871384 263051451 /nfs/dbraw/zinc/05/14/51/263051451.db2.gz WZOHHJANERXWJM-WCQGTBRESA-N 0 1 290.411 3.940 20 0 CHADMN Fc1ccccc1CN[C@@H](c1cccnc1)C1CCC1 ZINC000280408662 263061297 /nfs/dbraw/zinc/06/12/97/263061297.db2.gz YIAFZHAPBURNNK-QGZVFWFLSA-N 0 1 270.351 3.852 20 0 CHADMN Cc1nnc([C@H](C)N2C[C@@H](c3ccccc3)C[C@H]2C)s1 ZINC000283048485 263080609 /nfs/dbraw/zinc/08/06/09/263080609.db2.gz IUNUCULVVGIQIO-XUJVJEKNSA-N 0 1 287.432 3.786 20 0 CHADMN CCc1ccc(C[N@H+](C)[C@@H](CC)c2ccncc2)o1 ZINC000290637504 263118085 /nfs/dbraw/zinc/11/80/85/263118085.db2.gz YIIFUGOGYLDRNB-INIZCTEOSA-N 0 1 258.365 3.820 20 0 CHADMN CCc1ccc(CN(C)[C@@H](CC)c2ccncc2)o1 ZINC000290637504 263118086 /nfs/dbraw/zinc/11/80/86/263118086.db2.gz YIIFUGOGYLDRNB-INIZCTEOSA-N 0 1 258.365 3.820 20 0 CHADMN Cc1cc2cc(CN[C@H](C)c3ccncc3F)ccc2[nH]1 ZINC000340390760 263130885 /nfs/dbraw/zinc/13/08/85/263130885.db2.gz GVAPLFIZXZQWMZ-GFCCVEGCSA-N 0 1 283.350 3.861 20 0 CHADMN CO[C@@H]1CCN([C@@H](C)c2ccc(F)c(F)c2)CC1(C)C ZINC000296113010 263186080 /nfs/dbraw/zinc/18/60/80/263186080.db2.gz RKVNMJIPCQSKDL-XHDPSFHLSA-N 0 1 283.362 3.773 20 0 CHADMN Cc1cccc(OCCCN[C@H]2C[C@H](C)n3ccnc32)c1C ZINC000296579654 263193294 /nfs/dbraw/zinc/19/32/94/263193294.db2.gz VVSDFKKIZAWPRI-HOCLYGCPSA-N 0 1 299.418 3.564 20 0 CHADMN CC[C@]1(CO)CCC[N@H+]([C@@H](C)c2ccccc2Cl)C1 ZINC000187551145 263262058 /nfs/dbraw/zinc/26/20/58/263262058.db2.gz ADRZKKSVBPCANM-BBRMVZONSA-N 0 1 281.827 3.886 20 0 CHADMN CC(C)(NCCOC1CCCCCC1)c1nccs1 ZINC000440486172 263301091 /nfs/dbraw/zinc/30/10/91/263301091.db2.gz NTHPBEWOYJCPJY-UHFFFAOYSA-N 0 1 282.453 3.707 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N1CC[C@H](C2CC2)C1 ZINC000341902725 263365307 /nfs/dbraw/zinc/36/53/07/263365307.db2.gz NESAPVSIOITOTG-DOMZBBRYSA-N 0 1 283.375 3.530 20 0 CHADMN Cc1cnc([C@@H](C)N2CCSC3(CCCCC3)C2)o1 ZINC000334236340 263520001 /nfs/dbraw/zinc/52/00/01/263520001.db2.gz RCNACECJLDPLDN-CYBMUJFWSA-N 0 1 280.437 3.796 20 0 CHADMN Cc1cc(CN[C@H](C)c2cccc(C)c2C)nc(C)n1 ZINC000342813980 263524467 /nfs/dbraw/zinc/52/44/67/263524467.db2.gz LJDNSTYQHNAOHI-CQSZACIVSA-N 0 1 269.392 3.561 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCOC3(CCCCC3)C2)no1 ZINC000334308816 263572407 /nfs/dbraw/zinc/57/24/07/263572407.db2.gz IYABNYYDUUNFHL-KGLIPLIRSA-N 0 1 278.396 3.516 20 0 CHADMN CCC[C@@H](C)NC(=O)[C@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000157050293 263730803 /nfs/dbraw/zinc/73/08/03/263730803.db2.gz MEJDKKKTJRAIQZ-UPJWGTAASA-N 0 1 296.842 3.684 20 0 CHADMN Oc1ccc2c(c1)[C@@H](N[C@H]1COCc3ccccc31)CCC2 ZINC000417355804 263799306 /nfs/dbraw/zinc/79/93/06/263799306.db2.gz DWVNGGJPQQFSIZ-OALUTQOASA-N 0 1 295.382 3.631 20 0 CHADMN Cc1cnc(CN2CC(C)(C)C[C@@H]2c2ccccc2)cn1 ZINC000425373703 264203221 /nfs/dbraw/zinc/20/32/21/264203221.db2.gz QMQJCPVFJLHJPU-QGZVFWFLSA-N 0 1 281.403 3.758 20 0 CHADMN CCO[C@H]1CCN(Cc2c(F)cc(C)cc2F)C[C@@H]1C ZINC000425375125 264204168 /nfs/dbraw/zinc/20/41/68/264204168.db2.gz YQGSOSSFXIYOBM-LRDDRELGSA-N 0 1 283.362 3.520 20 0 CHADMN FC(F)CC1CN(Cc2ccc(OCC3CC3)cc2)C1 ZINC000425366731 264212107 /nfs/dbraw/zinc/21/21/07/264212107.db2.gz QRCVZGIRLBGAFI-UHFFFAOYSA-N 0 1 281.346 3.562 20 0 CHADMN Cc1cc(NC[C@@H]2CCC[C@@H](O)C2)c2cc(F)ccc2n1 ZINC000127156922 264241318 /nfs/dbraw/zinc/24/13/18/264241318.db2.gz UXOHMFPPOYMXQK-TZMCWYRMSA-N 0 1 288.366 3.645 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccncc1OC)c1cccs1 ZINC000188764115 264241452 /nfs/dbraw/zinc/24/14/52/264241452.db2.gz LVDXQHFFHIMJQU-AAEUAGOBSA-N 0 1 276.405 3.954 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H](C)c1ccsc1 ZINC000188784656 264242192 /nfs/dbraw/zinc/24/21/92/264242192.db2.gz OFQZVZPJLOBNEZ-WDEREUQCSA-N 0 1 262.378 3.564 20 0 CHADMN CSCc1cccc(CN[C@@H](C)c2cncc(F)c2)c1 ZINC000188723977 264243386 /nfs/dbraw/zinc/24/33/86/264243386.db2.gz IFYKOKZFIGUWRL-LBPRGKRZSA-N 0 1 290.407 3.935 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H](C)c1cccs1 ZINC000188790436 264250138 /nfs/dbraw/zinc/25/01/38/264250138.db2.gz ZNZXWGJOVQVXSN-QWRGUYRKSA-N 0 1 262.378 3.564 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC([C@H]2CCCO2)CC1 ZINC000189191387 264277406 /nfs/dbraw/zinc/27/74/06/264277406.db2.gz UFINZFJQGRMNPY-YVEFUNNKSA-N 0 1 295.373 3.917 20 0 CHADMN CC(C)CCN(Cc1nc(C(F)F)no1)C1CCCC1 ZINC000425405479 264283988 /nfs/dbraw/zinc/28/39/88/264283988.db2.gz YMYNROAUPZKLKE-UHFFFAOYSA-N 0 1 287.354 3.798 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000189443884 264298199 /nfs/dbraw/zinc/29/81/99/264298199.db2.gz RXSGJYAUNFHJPB-DGCLKSJQSA-N 0 1 277.412 3.540 20 0 CHADMN COc1cccc(CNCc2ccc(Cl)cc2F)c1 ZINC000157298916 264300197 /nfs/dbraw/zinc/30/01/97/264300197.db2.gz DOADCORDLATSEG-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN COc1cnccc1[C@H](C)NCc1cc(C)cc(C)c1 ZINC000189553066 264306806 /nfs/dbraw/zinc/30/68/06/264306806.db2.gz VQPDRWDGWBKYCV-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CC[C@H]1c2ccsc2CCN1Cc1cncc(C)c1 ZINC000189788274 264326369 /nfs/dbraw/zinc/32/63/69/264326369.db2.gz NHBUXILTHHRDBV-HNNXBMFYSA-N 0 1 272.417 3.961 20 0 CHADMN COC[C@H](N[C@@H]1CCCc2occc21)c1ccccc1 ZINC000189997525 264344944 /nfs/dbraw/zinc/34/49/44/264344944.db2.gz DOPIFSYMEIDHDW-CVEARBPZSA-N 0 1 271.360 3.634 20 0 CHADMN CCCCc1noc([C@H](C)N[C@H]2CCCC2(C)C)n1 ZINC000191860540 264532956 /nfs/dbraw/zinc/53/29/56/264532956.db2.gz QHNIKUICHFDTCM-RYUDHWBXSA-N 0 1 265.401 3.642 20 0 CHADMN Cc1ccc(CNc2ccnc3cc(F)ccc32)cn1 ZINC000113246946 265066378 /nfs/dbraw/zinc/06/63/78/265066378.db2.gz AHPMOBFSEQXIFT-UHFFFAOYSA-N 0 1 267.307 3.689 20 0 CHADMN CC[C@@H](C)C(=O)Nc1nc(-c2cccc3ccccc32)n[nH]1 ZINC000518857675 265186614 /nfs/dbraw/zinc/18/66/14/265186614.db2.gz RCTDGPMSRLOVBK-LLVKDONJSA-N 0 1 294.358 3.610 20 0 CHADMN CCC1(CC)CCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000094803798 265256224 /nfs/dbraw/zinc/25/62/24/265256224.db2.gz XBVWZEGTOPQZGO-UHFFFAOYSA-N 0 1 281.783 3.698 20 0 CHADMN C[C@@H]1CCC[C@@H]1Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000519030913 265299498 /nfs/dbraw/zinc/29/94/98/265299498.db2.gz VYJLPPMTFJMXAF-GHMZBOCLSA-N 0 1 282.347 3.592 20 0 CHADMN COc1ccc2nc(S[C@H](C)c3ncc(C)o3)[nH]c2c1 ZINC000356181343 266064351 /nfs/dbraw/zinc/06/43/51/266064351.db2.gz PNPHORRLOSAYMJ-SECBINFHSA-N 0 1 289.360 3.721 20 0 CHADMN C[C@@H](NCc1cnc2ccccc2c1)c1ccc(F)cn1 ZINC000356666772 266156887 /nfs/dbraw/zinc/15/68/87/266156887.db2.gz BARYOGDWYPCYLH-GFCCVEGCSA-N 0 1 281.334 3.620 20 0 CHADMN CSc1ccc(CN[C@@H](C)c2ccc(F)cn2)cc1 ZINC000356671691 266156985 /nfs/dbraw/zinc/15/69/85/266156985.db2.gz HDLHBBOHTHBSTR-NSHDSACASA-N 0 1 276.380 3.793 20 0 CHADMN CCCn1cc(CN2CC=C(c3cccc(C)c3)CC2)cn1 ZINC000356942997 266215016 /nfs/dbraw/zinc/21/50/16/266215016.db2.gz BGDWONKWMKDTPH-UHFFFAOYSA-N 0 1 295.430 3.891 20 0 CHADMN Cc1cc(-c2noc(C=Cc3ccco3)n2)cc2nc[nH]c21 ZINC000356941402 266215493 /nfs/dbraw/zinc/21/54/93/266215493.db2.gz VKNUITAAZOYEDV-PLNGDYQASA-N 0 1 292.298 3.685 20 0 CHADMN Cc1[nH]ncc1CN1CC2(CCCC2)c2ccccc21 ZINC000356957817 266218336 /nfs/dbraw/zinc/21/83/36/266218336.db2.gz LOQGIVPTGPCWQH-UHFFFAOYSA-N 0 1 267.376 3.550 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC[C@H]2c2cccc(N(C)C)c2)o1 ZINC000356988504 266225589 /nfs/dbraw/zinc/22/55/89/266225589.db2.gz QZMMFWKEBZATFX-PBHICJAKSA-N 0 1 299.418 3.947 20 0 CHADMN C[C@@H](C1CCC1)N(C)Cc1csc(-c2ccccn2)n1 ZINC000357021391 266233896 /nfs/dbraw/zinc/23/38/96/266233896.db2.gz HHHCPIZVLBLGMQ-LBPRGKRZSA-N 0 1 287.432 3.826 20 0 CHADMN Cc1ccccc1Cc1nnc(CN(C)[C@H](C)C2CCC2)o1 ZINC000357036537 266237326 /nfs/dbraw/zinc/23/73/26/266237326.db2.gz KTLKEPSWVBWDCE-CQSZACIVSA-N 0 1 299.418 3.589 20 0 CHADMN CCCc1nc(CN2CCC[C@H](C)CC2)cs1 ZINC000357098201 266247298 /nfs/dbraw/zinc/24/72/98/266247298.db2.gz BBULHIQWGJDRPJ-LBPRGKRZSA-N 0 1 252.427 3.718 20 0 CHADMN C[C@@H]1CCCN(Cc2ccn(C3CCCC3)n2)CC1 ZINC000357158093 266256753 /nfs/dbraw/zinc/25/67/53/266256753.db2.gz VMBUPCMXZMZVCP-CQSZACIVSA-N 0 1 261.413 3.620 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000357171514 266259579 /nfs/dbraw/zinc/25/95/79/266259579.db2.gz GESOQXGSBLZJGD-WDEREUQCSA-N 0 1 289.404 3.541 20 0 CHADMN CC[C@H]1CC[C@H](C)N1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000357171510 266259667 /nfs/dbraw/zinc/25/96/67/266259667.db2.gz GESOQXGSBLZJGD-QWRGUYRKSA-N 0 1 289.404 3.541 20 0 CHADMN Cc1cnc(C[N@H+]2CCC[C@@H]2Cc2ccccc2C)s1 ZINC000357322101 266275326 /nfs/dbraw/zinc/27/53/26/266275326.db2.gz RQGXHVMDMNPQMV-MRXNPFEDSA-N 0 1 286.444 3.967 20 0 CHADMN CC(C)c1[nH]ncc1C(=O)Nc1cccc(-n2cccc2)c1 ZINC000357352350 266281847 /nfs/dbraw/zinc/28/18/47/266281847.db2.gz YFSIDYZUSHAARX-UHFFFAOYSA-N 0 1 294.358 3.576 20 0 CHADMN CSc1cc(CNCc2ccccc2Cl)ccn1 ZINC000357369144 266285630 /nfs/dbraw/zinc/28/56/30/266285630.db2.gz PAZJOSAKMBJOEG-UHFFFAOYSA-N 0 1 278.808 3.747 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2C[C@@H](C)CCC[C@H]2C)c1 ZINC000357436004 266295233 /nfs/dbraw/zinc/29/52/33/266295233.db2.gz JEYZTGZOTUAHFV-WCQYABFASA-N 0 1 285.391 3.522 20 0 CHADMN CCc1nc(CN(C)[C@H]2CCc3ccccc3C2)cs1 ZINC000114488954 266301766 /nfs/dbraw/zinc/30/17/66/266301766.db2.gz CVFUZWVFASWVFC-INIZCTEOSA-N 0 1 286.444 3.695 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)C2C[C@H](C)C[C@@H](C)C2)c1 ZINC000357490952 266308382 /nfs/dbraw/zinc/30/83/82/266308382.db2.gz DCSNXATUSCITOH-GHMZBOCLSA-N 0 1 289.375 3.606 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1nc([C@H](C)OCC(C)C)no1 ZINC000357552356 266321384 /nfs/dbraw/zinc/32/13/84/266321384.db2.gz MIAWWOCIKDWNEK-HZSPNIEDSA-N 0 1 295.427 3.566 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1nc2c(cccc2F)n1CC ZINC000357555650 266323839 /nfs/dbraw/zinc/32/38/39/266323839.db2.gz TYFLYXKTOTWKRF-OLZOCXBDSA-N 0 1 289.398 3.958 20 0 CHADMN c1csc(-c2cc(-c3nc(CCC4CC4)no3)[nH]n2)c1 ZINC000357677133 266345179 /nfs/dbraw/zinc/34/51/79/266345179.db2.gz VSTFFONZBANWLZ-UHFFFAOYSA-N 0 1 286.360 3.531 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)o1 ZINC000357769042 266357806 /nfs/dbraw/zinc/35/78/06/266357806.db2.gz ZXUUTXTWYUADSU-OFQRWUPVSA-N 0 1 299.418 3.819 20 0 CHADMN C[C@@H](NCc1ccc(C2CC2)cc1)c1cncs1 ZINC000357795726 266365102 /nfs/dbraw/zinc/36/51/02/266365102.db2.gz QRAWPPYODMUKBQ-LLVKDONJSA-N 0 1 258.390 3.871 20 0 CHADMN CC[C@@H](NCc1ccc(C2CC2)cc1)c1ccn(C)n1 ZINC000357804186 266368335 /nfs/dbraw/zinc/36/83/35/266368335.db2.gz XEVJKEWPZXVBPP-MRXNPFEDSA-N 0 1 269.392 3.538 20 0 CHADMN CCSc1ccccc1[C@@H](C)NCc1c[nH]nc1C ZINC000358171555 266433516 /nfs/dbraw/zinc/43/35/16/266433516.db2.gz RRGFJKJLHMYEBI-GFCCVEGCSA-N 0 1 275.421 3.681 20 0 CHADMN CC[C@H](N[C@H]1CCCc2c[nH]nc21)c1cccc(OC)c1 ZINC000358290173 266449275 /nfs/dbraw/zinc/44/92/75/266449275.db2.gz DKVQJURMDMQSRP-HOTGVXAUSA-N 0 1 285.391 3.537 20 0 CHADMN CCNc1cc(C)ccc1NC(=O)c1cccc2nc[nH]c21 ZINC000360078692 266680148 /nfs/dbraw/zinc/68/01/48/266680148.db2.gz IYQWCJLGUKCUMN-UHFFFAOYSA-N 0 1 294.358 3.555 20 0 CHADMN CC[C@@H](NCc1ccc(-c2ccccc2)o1)c1cnn(C)c1 ZINC000360142620 266686750 /nfs/dbraw/zinc/68/67/50/266686750.db2.gz YHNDOCUGUIRUTG-QGZVFWFLSA-N 0 1 295.386 3.921 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1cccc(O)c1 ZINC000361144651 266791515 /nfs/dbraw/zinc/79/15/15/266791515.db2.gz ZCDIAIYTITXBMT-GXFFZTMASA-N 0 1 273.298 3.555 20 0 CHADMN CCCC[C@H](COC)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000361182258 266797414 /nfs/dbraw/zinc/79/74/14/266797414.db2.gz XTRMQCGSZYZUEQ-BXUZGUMPSA-N 0 1 299.361 3.583 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cnc(C(C)(C)C)s2)n1 ZINC000361600865 266856663 /nfs/dbraw/zinc/85/66/63/266856663.db2.gz KLLZELODFGERSH-SECBINFHSA-N 0 1 294.424 3.537 20 0 CHADMN COCCN(Cc1nc(C2CC2)cs1)[C@@H]1CC[C@@H](C)C1 ZINC000362150804 266934599 /nfs/dbraw/zinc/93/45/99/266934599.db2.gz QICPFOFRLJXLDM-TZMCWYRMSA-N 0 1 294.464 3.658 20 0 CHADMN COc1ccnc(CN[C@H](C)c2ccc3ncsc3c2)c1 ZINC000362557128 267006745 /nfs/dbraw/zinc/00/67/45/267006745.db2.gz XYUGIGCEBIHMDU-LLVKDONJSA-N 0 1 299.399 3.551 20 0 CHADMN COc1cc(CN2CCC(c3ccsc3)CC2)ccn1 ZINC000362658624 267030832 /nfs/dbraw/zinc/03/08/32/267030832.db2.gz SCTXRVUIKGUAIW-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN Cc1cc(NCCCCO)c2cc(Cl)cc(C)c2n1 ZINC000362676950 267033958 /nfs/dbraw/zinc/03/39/58/267033958.db2.gz WBNDYWSAHWDICU-UHFFFAOYSA-N 0 1 278.783 3.689 20 0 CHADMN CCc1nnc(CN2CCC[C@@H]2CCC2CCCC2)o1 ZINC000362962313 267066686 /nfs/dbraw/zinc/06/66/86/267066686.db2.gz CKUJENZJMFYRHQ-CQSZACIVSA-N 0 1 277.412 3.567 20 0 CHADMN CC[N@@H+](Cc1cncc(OCc2ccccc2)c1)C(C)C ZINC000362955257 267066926 /nfs/dbraw/zinc/06/69/26/267066926.db2.gz PQNKCKMMCCKIDD-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN Cc1[nH]ncc1CNc1cnn(CCC(C)C)c1C(C)C ZINC000362992255 267071671 /nfs/dbraw/zinc/07/16/71/267071671.db2.gz IRQRFIFUCPSKEI-UHFFFAOYSA-N 0 1 289.427 3.696 20 0 CHADMN Cc1nc(-c2cccc(NC(=O)C=CC3CC3)c2)[nH]c1C ZINC000363270430 267083621 /nfs/dbraw/zinc/08/36/21/267083621.db2.gz XKYMILOHKLQIDQ-CMDGGOBGSA-N 0 1 281.359 3.598 20 0 CHADMN Cc1c2ccccc2oc1CN[C@H]1CCCc2n[nH]cc21 ZINC000367601154 267103469 /nfs/dbraw/zinc/10/34/69/267103469.db2.gz MRHBXOBSBXMOCC-AWEZNQCLSA-N 0 1 281.359 3.632 20 0 CHADMN Fc1ccccc1CN1CCC(n2cc(Cl)cn2)CC1 ZINC000367914845 267126661 /nfs/dbraw/zinc/12/66/61/267126661.db2.gz AUMQFHNDWBKBDR-UHFFFAOYSA-N 0 1 293.773 3.513 20 0 CHADMN CC1(C)CN(Cc2cc3ccccc3[nH]2)[C@@H]1[C@H]1CCCO1 ZINC000367945338 267129268 /nfs/dbraw/zinc/12/92/68/267129268.db2.gz VZODFKQHMQUWID-IAGOWNOFSA-N 0 1 284.403 3.557 20 0 CHADMN CCCCCN1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000369388151 267239457 /nfs/dbraw/zinc/23/94/57/267239457.db2.gz FLEZZNCKIYTROF-LBPRGKRZSA-N 0 1 296.436 3.565 20 0 CHADMN CN(Cc1nccn1C(F)F)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000418118087 267257889 /nfs/dbraw/zinc/25/78/89/267257889.db2.gz SINUPCYCQQTSTC-NWDGAFQWSA-N 0 1 285.382 3.925 20 0 CHADMN CN(Cc1nccn1C(F)F)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000418118090 267257992 /nfs/dbraw/zinc/25/79/92/267257992.db2.gz SINUPCYCQQTSTC-VXGBXAGGSA-N 0 1 285.382 3.925 20 0 CHADMN CN(Cc1nccn1C(F)F)[C@H]1CCC[C@H]1C(C)(C)C ZINC000418118084 267258696 /nfs/dbraw/zinc/25/86/96/267258696.db2.gz SINUPCYCQQTSTC-NEPJUHHUSA-N 0 1 285.382 3.925 20 0 CHADMN CCCN(Cc1nc([C@H](C)SCC)no1)CC1CC1 ZINC000118969976 267283077 /nfs/dbraw/zinc/28/30/77/267283077.db2.gz GNMBBAKYLNBWPD-NSHDSACASA-N 0 1 283.441 3.506 20 0 CHADMN CCOc1cc(C)ccc1CN[C@@H](C)c1cncs1 ZINC000119238660 267312120 /nfs/dbraw/zinc/31/21/20/267312120.db2.gz WIYKHJVGFIQBPI-LBPRGKRZSA-N 0 1 276.405 3.701 20 0 CHADMN Cc1c2ccccc2oc1CN[C@H]1CCCc2c1cnn2C ZINC000120089005 267357145 /nfs/dbraw/zinc/35/71/45/267357145.db2.gz SSTXIYNRBAWRLD-HNNXBMFYSA-N 0 1 295.386 3.642 20 0 CHADMN CCCn1cc(CN(CC)[C@H](C)c2cccc(O)c2)cn1 ZINC000120096154 267357965 /nfs/dbraw/zinc/35/79/65/267357965.db2.gz YHWZZCCSXJRTKK-CQSZACIVSA-N 0 1 287.407 3.582 20 0 CHADMN Fc1ccc(CN2CCC(c3c[nH]cn3)CC2)cc1Cl ZINC000371335112 267391657 /nfs/dbraw/zinc/39/16/57/267391657.db2.gz INETWXGYHCNOAX-UHFFFAOYSA-N 0 1 293.773 3.582 20 0 CHADMN CC[C@H](NCC1=Cc2ccccc2OC1)c1c(C)noc1C ZINC000121226707 267584884 /nfs/dbraw/zinc/58/48/84/267584884.db2.gz FKGKANKQRQLUOP-INIZCTEOSA-N 0 1 298.386 3.808 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000123107658 268000110 /nfs/dbraw/zinc/00/01/10/268000110.db2.gz KDUQLDJNDICKSY-QWRGUYRKSA-N 0 1 291.782 3.763 20 0 CHADMN CC(C)(C)C1CCN(Cc2nnc(-c3ccccc3)o2)CC1 ZINC000172032051 335090219 /nfs/dbraw/zinc/09/02/19/335090219.db2.gz PFHXXQOOGYCFBW-UHFFFAOYSA-N 0 1 299.418 3.995 20 0 CHADMN Cc1cccc(NCCc2ccc(Br)s2)n1 ZINC000226998497 524675215 /nfs/dbraw/zinc/67/52/15/524675215.db2.gz RCUIQMKGLXYXPC-UHFFFAOYSA-N 0 1 297.221 3.869 20 0 CHADMN CCCC[C@H](C)NCc1csc([C@H](C)OC)n1 ZINC000344741454 528894516 /nfs/dbraw/zinc/89/45/16/528894516.db2.gz RQGJESWXYSVKQC-QWRGUYRKSA-N 0 1 256.415 3.519 20 0 CHADMN CC[C@H](COC)NCc1cc(Cl)sc1Cl ZINC000380318377 327616023 /nfs/dbraw/zinc/61/60/23/327616023.db2.gz JREQURNUZONXIE-MRVPVSSYSA-N 0 1 268.209 3.570 20 0 CHADMN CCCCO[C@H]1C[C@H](NCc2ccn(C(C)C)n2)C1(C)C ZINC000570915270 327634146 /nfs/dbraw/zinc/63/41/46/327634146.db2.gz RCPWXHQCVUGTBR-HOTGVXAUSA-N 0 1 293.455 3.537 20 0 CHADMN CC(C)OC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000531165092 327744160 /nfs/dbraw/zinc/74/41/60/327744160.db2.gz UPSAHJRSLLEBLD-UHFFFAOYSA-N 0 1 267.800 3.729 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc(C2CC2)no1)[C@H](C)c1ccccc1 ZINC000177474533 327789862 /nfs/dbraw/zinc/78/98/62/327789862.db2.gz TZNVSAQGJOANOL-XQQFMLRXSA-N 0 1 285.391 3.790 20 0 CHADMN Cc1cncc(CN[C@@H]2CCSc3ccc(F)cc32)c1 ZINC000181844710 327810495 /nfs/dbraw/zinc/81/04/95/327810495.db2.gz DQJHSVUXMVFSED-OAHLLOKOSA-N 0 1 288.391 3.856 20 0 CHADMN CCc1ccc(CN[C@@H]2CCOc3ccc(OC)cc32)cc1 ZINC000318690090 327834174 /nfs/dbraw/zinc/83/41/74/327834174.db2.gz OYOQKQKEHZDUMQ-GOSISDBHSA-N 0 1 297.398 3.871 20 0 CHADMN COc1ccccc1[C@H](CNCc1ccco1)OC(C)C ZINC000185720285 327843063 /nfs/dbraw/zinc/84/30/63/327843063.db2.gz CJOBDWXTEMEUSM-KRWDZBQOSA-N 0 1 289.375 3.544 20 0 CHADMN c1ccc(CC2(NCc3nc(C4CC4)no3)CCCC2)cc1 ZINC000185829455 327846905 /nfs/dbraw/zinc/84/69/05/327846905.db2.gz BJRICGSDHBTJAD-UHFFFAOYSA-N 0 1 297.402 3.592 20 0 CHADMN CC(C)c1nnc(CNC2(Cc3ccccc3)CCCC2)o1 ZINC000185840655 327847506 /nfs/dbraw/zinc/84/75/06/327847506.db2.gz RPFSBZQEAFXJRS-UHFFFAOYSA-N 0 1 299.418 3.838 20 0 CHADMN C[C@@H]1CCC[C@@H](NCc2ncc(-c3ccccc3)cn2)C1 ZINC000185867505 327848671 /nfs/dbraw/zinc/84/86/71/327848671.db2.gz HQFLNINKYGZELZ-RHSMWYFYSA-N 0 1 281.403 3.812 20 0 CHADMN C=Cn1cc(CN[C@H](CC(C)C)c2ccccc2OC)cn1 ZINC000194351149 327883178 /nfs/dbraw/zinc/88/31/78/327883178.db2.gz KJRRALHXXASQEY-QGZVFWFLSA-N 0 1 299.418 3.869 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cccc(C)c2)c(F)c1 ZINC000228599918 327897014 /nfs/dbraw/zinc/89/70/14/327897014.db2.gz DPYZANVAGXUINX-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN C[C@@H]1C[N@@H+](CCCCCC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000563283027 328008675 /nfs/dbraw/zinc/00/86/75/328008675.db2.gz LZQCAWZZACJPAM-WBVHZDCISA-N 0 1 289.419 3.757 20 0 CHADMN CC(C)C[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000563278053 328006625 /nfs/dbraw/zinc/00/66/25/328006625.db2.gz DZVORESARQKTLI-IUODEOHRSA-N 0 1 295.810 3.834 20 0 CHADMN C[C@H]1c2ccsc2CC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000563277513 328006709 /nfs/dbraw/zinc/00/67/09/328006709.db2.gz NIMVQVPKNVNVEO-VIFPVBQESA-N 0 1 293.413 3.627 20 0 CHADMN C[C@H]1c2ccsc2CC[N@@H+]1Cc1csc(C(=O)[O-])c1 ZINC000563277513 328006711 /nfs/dbraw/zinc/00/67/11/328006711.db2.gz NIMVQVPKNVNVEO-VIFPVBQESA-N 0 1 293.413 3.627 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H]2c2ccc(C)cc2)oc1C(=O)[O-] ZINC000563276962 328006787 /nfs/dbraw/zinc/00/67/87/328006787.db2.gz AALLKBZMBGQKFY-INIZCTEOSA-N 0 1 299.370 3.932 20 0 CHADMN Cc1cccc(C)c1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000152049319 328008822 /nfs/dbraw/zinc/00/88/22/328008822.db2.gz RNITUTOBZVQOEC-MRXNPFEDSA-N 0 1 269.392 3.754 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2occc2C(=O)[O-])cc1C ZINC000563279134 328007007 /nfs/dbraw/zinc/00/70/07/328007007.db2.gz PCOJODWOBGBJLV-INIZCTEOSA-N 0 1 299.370 3.932 20 0 CHADMN Cc1cc([C@H](C)[N@@H+](C)Cc2ccc(C)cc2)oc1C(=O)[O-] ZINC000563279366 328007094 /nfs/dbraw/zinc/00/70/94/328007094.db2.gz SEKYKPRHOKCKOV-ZDUSSCGKSA-N 0 1 287.359 3.788 20 0 CHADMN c1cc(CN[C@H]2CCCc3c4ccccc4sc32)n[nH]1 ZINC000531720518 328028551 /nfs/dbraw/zinc/02/85/51/328028551.db2.gz UPFCQPAXXIVWAC-AWEZNQCLSA-N 0 1 283.400 3.792 20 0 CHADMN C[C@H](N[C@H]1C[N@H+](C)C[C@H]1C)c1cccc(Cl)c1Cl ZINC000531712629 328027811 /nfs/dbraw/zinc/02/78/11/328027811.db2.gz RWYJFOMGQXTKBG-NRUUGDAUSA-N 0 1 287.234 3.594 20 0 CHADMN CCc1cc(CN[C@H](C)c2ccc(C)cc2C)on1 ZINC000531720975 328028671 /nfs/dbraw/zinc/02/86/71/328028671.db2.gz IRZSLOVOELOOAC-CYBMUJFWSA-N 0 1 258.365 3.705 20 0 CHADMN Cc1ccccc1[C@H](CO)N[C@@H]1CC(C)(C)Cc2occc21 ZINC000531737050 328028991 /nfs/dbraw/zinc/02/89/91/328028991.db2.gz BCKRUSANCIBRJP-SJORKVTESA-N 0 1 299.414 3.925 20 0 CHADMN Cc1cccc(C)c1CN(C)Cc1cc(Cl)cn1C ZINC000531815730 328038337 /nfs/dbraw/zinc/03/83/37/328038337.db2.gz RETMNPAMUYDTKT-UHFFFAOYSA-N 0 1 276.811 3.927 20 0 CHADMN C(=C/c1ccccc1)\CN1CCN(c2cccs2)CC1 ZINC000531816301 328038546 /nfs/dbraw/zinc/03/85/46/328038546.db2.gz HSFPDRVKCNBDRF-XBXARRHUSA-N 0 1 284.428 3.584 20 0 CHADMN CCC[N@@H+](Cc1cnn(CC)c1)Cc1ccc(C)cc1 ZINC000534332934 328045285 /nfs/dbraw/zinc/04/52/85/328045285.db2.gz PPXZDGGKODBXJG-UHFFFAOYSA-N 0 1 271.408 3.624 20 0 CHADMN CCc1nc(CN(C)C[C@H]2C[C@@H]2c2ccccc2)cs1 ZINC000534349644 328047549 /nfs/dbraw/zinc/04/75/49/328047549.db2.gz NQOHGWSAOMDDRK-GDBMZVCRSA-N 0 1 286.444 3.941 20 0 CHADMN CN(Cc1c(F)cccc1F)C1Cc2ccccc2C1 ZINC000534350033 328047938 /nfs/dbraw/zinc/04/79/38/328047938.db2.gz LFZFOZXFTSPONJ-UHFFFAOYSA-N 0 1 273.326 3.564 20 0 CHADMN c1cc([C@@H]2CCC[N@@H+]2Cc2ccc3[nH]cnc3c2)cs1 ZINC000534336764 328049101 /nfs/dbraw/zinc/04/91/01/328049101.db2.gz FORGEMLLKHZHLL-INIZCTEOSA-N 0 1 283.400 3.962 20 0 CHADMN Cc1nsc(C)c1CN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000563352915 328057421 /nfs/dbraw/zinc/05/74/21/328057421.db2.gz INOXEBFYVKIBIP-GZMMTYOYSA-N 0 1 278.343 3.533 20 0 CHADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])c(C)o1 ZINC000563542051 328072599 /nfs/dbraw/zinc/07/25/99/328072599.db2.gz UZSPTFSSNCREDV-NHYWBVRUSA-N 0 1 279.380 3.687 20 0 CHADMN CC[C@@H](Cc1nc(C2(N)CCCC2)no1)c1ccccc1 ZINC000571283549 328097565 /nfs/dbraw/zinc/09/75/65/328097565.db2.gz RHSXFZYUZZVDNN-ZDUSSCGKSA-N 0 1 285.391 3.534 20 0 CHADMN Cc1sc(NC(=O)CN2CC(C)(C)C[C@H]2C)c(C)c1C ZINC000412033740 328101809 /nfs/dbraw/zinc/10/18/09/328101809.db2.gz DMDKLSYDKNAVKP-SNVBAGLBSA-N 0 1 294.464 3.732 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CC(C)(C)C[C@H]1C ZINC000412042632 328102155 /nfs/dbraw/zinc/10/21/55/328102155.db2.gz MQGPHSOFFNQEDE-CQSZACIVSA-N 0 1 288.435 3.616 20 0 CHADMN CCN(Cc1nc(C)c(C)s1)C1CC(C)(C)C1 ZINC000412042371 328102301 /nfs/dbraw/zinc/10/23/01/328102301.db2.gz VBXCDTBZWVDMHO-UHFFFAOYSA-N 0 1 252.427 3.770 20 0 CHADMN CCC[N@@H+](Cc1cc(-c2cccs2)on1)C1CC1 ZINC000171680937 329078305 /nfs/dbraw/zinc/07/83/05/329078305.db2.gz GPPXZUBCJOXNSV-UHFFFAOYSA-N 0 1 262.378 3.778 20 0 CHADMN CCCN(Cc1cc(-c2cccs2)on1)C1CC1 ZINC000171680937 329078307 /nfs/dbraw/zinc/07/83/07/329078307.db2.gz GPPXZUBCJOXNSV-UHFFFAOYSA-N 0 1 262.378 3.778 20 0 CHADMN Cc1oc(C[N@@H+](C)CCCC(C)(C)C)cc1C(=O)[O-] ZINC000571337444 328111464 /nfs/dbraw/zinc/11/14/64/328111464.db2.gz QZFNCXLUDKYWDI-UHFFFAOYSA-N 0 1 267.369 3.544 20 0 CHADMN C[C@H](O)[C@@H](NCc1ccc(C2CC2)cc1)c1ccccc1F ZINC000571409478 328120079 /nfs/dbraw/zinc/12/00/79/328120079.db2.gz NHLMLFBJWGELNK-ORAYPTAESA-N 0 1 299.389 3.915 20 0 CHADMN O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000571423810 328120899 /nfs/dbraw/zinc/12/08/99/328120899.db2.gz JWZFPBCYXJJHDD-MRVWCRGKSA-N 0 1 298.390 3.503 20 0 CHADMN CC(C)(C)[C@H](CO)NCc1cc(Cl)sc1Cl ZINC000312575407 328129520 /nfs/dbraw/zinc/12/95/20/328129520.db2.gz DVWHXWJEOHQPLG-QMMMGPOBSA-N 0 1 282.236 3.552 20 0 CHADMN CC(C)(CCCc1ccccc1)c1nc(C2(N)CCC2)no1 ZINC000571561178 328133969 /nfs/dbraw/zinc/13/39/69/328133969.db2.gz UYPGNLSNWGSYFV-UHFFFAOYSA-N 0 1 299.418 3.708 20 0 CHADMN F[C@@H]1CCCC[C@H]1N[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000414307552 328154330 /nfs/dbraw/zinc/15/43/30/328154330.db2.gz HIUMVPCZZXXHBV-KFWWJZLASA-N 0 1 279.403 3.901 20 0 CHADMN CCn1ccnc1NCc1ccc(Br)cc1C ZINC000414309157 328154515 /nfs/dbraw/zinc/15/45/15/328154515.db2.gz XIWIBGLQPIEIOG-UHFFFAOYSA-N 0 1 294.196 3.586 20 0 CHADMN Cc1occc1CNCc1cc(Br)ccc1C ZINC000414437388 328169983 /nfs/dbraw/zinc/16/99/83/328169983.db2.gz PUPQMPLRHZPDLR-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN C[C@@H]1C[C@H](NCc2cc(Cl)sc2Cl)[C@H](C)O1 ZINC000312600418 328196932 /nfs/dbraw/zinc/19/69/32/328196932.db2.gz KULFNXBXECWPGH-FJXKBIBVSA-N 0 1 280.220 3.710 20 0 CHADMN CSc1cc(-c2nc([C@H](N)CC(C)C)no2)ccc1F ZINC000414612277 328201249 /nfs/dbraw/zinc/20/12/49/328201249.db2.gz DJRIGUJTQUCYDV-LLVKDONJSA-N 0 1 295.383 3.644 20 0 CHADMN Cc1cc(C)cc(/C=C\c2nc(C3(N)CCCC3)no2)c1 ZINC000414612317 328201362 /nfs/dbraw/zinc/20/13/62/328201362.db2.gz DNFJDUITASUEBF-WAYWQWQTSA-N 0 1 283.375 3.585 20 0 CHADMN CC(C)C[C@H](N)c1noc(C2(C)CCCCCC2)n1 ZINC000414617710 328202683 /nfs/dbraw/zinc/20/26/83/328202683.db2.gz LMFJSJMYILBCPI-LBPRGKRZSA-N 0 1 265.401 3.727 20 0 CHADMN Cc1ccc(SCc2n[nH]c(C3CC3)n2)c(C)c1 ZINC000179649365 329210934 /nfs/dbraw/zinc/21/09/34/329210934.db2.gz DNVPWKUBPKDADM-UHFFFAOYSA-N 0 1 259.378 3.591 20 0 CHADMN Cc1cc(CNC2(c3ccc(F)cc3)CCCC2)on1 ZINC000170970672 328236053 /nfs/dbraw/zinc/23/60/53/328236053.db2.gz WGTDMBRMPZNDEB-UHFFFAOYSA-N 0 1 274.339 3.681 20 0 CHADMN CCCN(CCc1cccs1)Cc1csc(C)n1 ZINC000184503646 329260922 /nfs/dbraw/zinc/26/09/22/329260922.db2.gz QBTJVEHLCJGJFS-UHFFFAOYSA-N 0 1 280.462 3.968 20 0 CHADMN CCC(C)=CC(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC000294510882 328281349 /nfs/dbraw/zinc/28/13/49/328281349.db2.gz KYRCGPHIQGBRPV-ZRDIBKRKSA-N 0 1 298.390 3.890 20 0 CHADMN Cc1ccc(NC(=O)CN2CCC[C@@H]2C(C)C)c(Cl)c1 ZINC000049077795 328343117 /nfs/dbraw/zinc/34/31/17/328343117.db2.gz UKUOANCQQXDSTN-OAHLLOKOSA-N 0 1 294.826 3.707 20 0 CHADMN C[C@H](N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccoc1 ZINC000531962492 328347593 /nfs/dbraw/zinc/34/75/93/328347593.db2.gz OPVRJOSIWCAZHT-VUCTXSBTSA-N 0 1 289.350 3.990 20 0 CHADMN CCc1noc([C@H](C)N2CCC[C@H](C(C)(C)C)CC2)n1 ZINC000303681293 328357640 /nfs/dbraw/zinc/35/76/40/328357640.db2.gz RXPLQMUQSYWLIF-STQMWFEESA-N 0 1 279.428 3.841 20 0 CHADMN CCCCc1noc([C@H](C)N2CCCC(C)(C)CC2)n1 ZINC000303882288 328364460 /nfs/dbraw/zinc/36/44/60/328364460.db2.gz JDVAYSCYVPWLIN-ZDUSSCGKSA-N 0 1 279.428 3.985 20 0 CHADMN Oc1cc(Cl)ccc1-c1nc(-c2ccccc2F)no1 ZINC000111688204 328374970 /nfs/dbraw/zinc/37/49/70/328374970.db2.gz GHRDKPOWEHQGAL-UHFFFAOYSA-N 0 1 290.681 3.902 20 0 CHADMN c1ccc([C@@H]2CCCN2CC2=Cc3ccccc3OC2)nc1 ZINC000535067244 328383033 /nfs/dbraw/zinc/38/30/33/328383033.db2.gz CBTQYRMMAFETAS-SFHVURJKSA-N 0 1 292.382 3.695 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cscn2)[C@H]2CCCC[C@@H]12 ZINC000535073512 328384372 /nfs/dbraw/zinc/38/43/72/328384372.db2.gz JMRSWVYVFSQQCS-XBFCOCLRSA-N 0 1 250.411 3.544 20 0 CHADMN COC[C@H](C)N(C)Cc1cnc(C2CCCCC2)s1 ZINC000535081059 328385305 /nfs/dbraw/zinc/38/53/05/328385305.db2.gz QCQLDRMARRBTTL-LBPRGKRZSA-N 0 1 282.453 3.658 20 0 CHADMN Cc1[nH]ncc1CCCNC(=O)CCCC1CCCCC1 ZINC000050183277 328388211 /nfs/dbraw/zinc/38/82/11/328388211.db2.gz HZYDCVRDCXFEOL-UHFFFAOYSA-N 0 1 291.439 3.518 20 0 CHADMN CCN(Cc1ncc(-c2ccccc2C)o1)C(C)C ZINC000535261209 328398984 /nfs/dbraw/zinc/39/89/84/328398984.db2.gz NWVQBNZDGXBXAL-UHFFFAOYSA-N 0 1 258.365 3.880 20 0 CHADMN COc1cc(CN[C@@H](C)c2ccccc2F)ccc1C ZINC000112534425 328440366 /nfs/dbraw/zinc/44/03/66/328440366.db2.gz FKDIQPJUZJWQJA-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccnc2)cc1Cl ZINC000112515471 328441820 /nfs/dbraw/zinc/44/18/20/328441820.db2.gz ITSZWRJJPGPCKB-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN Cc1nc(CCNCc2c(Cl)cccc2Cl)c(C)o1 ZINC000535387426 328449200 /nfs/dbraw/zinc/44/92/00/328449200.db2.gz RSJARTIJZNDPKM-UHFFFAOYSA-N 0 1 299.201 3.931 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccncn1)c1ccc(C2CC2)cc1 ZINC000417361902 328454419 /nfs/dbraw/zinc/45/44/19/328454419.db2.gz ZLOLVERYYGGUKE-OLZOCXBDSA-N 0 1 267.376 3.766 20 0 CHADMN Cc1ccc2cc([C@H](C)N[C@@H](C)c3cn[nH]c3)oc2c1 ZINC000426059093 328539745 /nfs/dbraw/zinc/53/97/45/328539745.db2.gz NQICVNTZEAHLHX-RYUDHWBXSA-N 0 1 269.348 3.876 20 0 CHADMN C[C@@H](N[C@@H]1CCCOC1)c1cc(F)c(Cl)cc1Cl ZINC000109545454 326858772 /nfs/dbraw/zinc/85/87/72/326858772.db2.gz SOOCDJVGBOYJEW-RKDXNWHRSA-N 0 1 292.181 3.962 20 0 CHADMN CC1(C2(NCc3csc(-c4ccccn4)n3)CC2)CC1 ZINC000398219259 326875055 /nfs/dbraw/zinc/87/50/55/326875055.db2.gz NSRMSRJWJUBGFQ-UHFFFAOYSA-N 0 1 285.416 3.627 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)CN1CCC(C)(C)CC1 ZINC000530628239 326883171 /nfs/dbraw/zinc/88/31/71/326883171.db2.gz WUSHCEZRSGAIMB-UHFFFAOYSA-N 0 1 294.826 3.709 20 0 CHADMN Cc1ccc(CNCc2cc(F)ccc2F)cc1C ZINC000083446757 326936475 /nfs/dbraw/zinc/93/64/75/326936475.db2.gz PHRVZINHFWVOKM-UHFFFAOYSA-N 0 1 261.315 3.871 20 0 CHADMN COc1ccnc(NC/C(C)=C\c2ccccc2)c1 ZINC000536338580 326937264 /nfs/dbraw/zinc/93/72/64/326937264.db2.gz JOAKPPPMUMVARA-RAXLEYEMSA-N 0 1 254.333 3.606 20 0 CHADMN C[C@@H](N[C@H]1CSC1(C)C)c1cccc(F)c1F ZINC000338772884 327006117 /nfs/dbraw/zinc/00/61/17/327006117.db2.gz CPLWUWPWIJFSIE-KCJUWKMLSA-N 0 1 257.349 3.509 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1ccc(F)cc1Cl ZINC000231751287 327010584 /nfs/dbraw/zinc/01/05/84/327010584.db2.gz YPSWADVXCRFYFE-SSDOTTSWSA-N 0 1 269.669 3.910 20 0 CHADMN CC(C)=CCC[C@H](C)CC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000568866414 327020475 /nfs/dbraw/zinc/02/04/75/327020475.db2.gz AIVJTTUNOMBRDZ-UONOGXRCSA-N 0 1 291.439 3.538 20 0 CHADMN Cc1ccc(C)c(CNCc2cn3cc(C)ccc3n2)c1 ZINC000557782970 327026840 /nfs/dbraw/zinc/02/68/40/327026840.db2.gz OZKIKZADYVMHLG-UHFFFAOYSA-N 0 1 279.387 3.549 20 0 CHADMN CCc1ccc([C@@H](N[C@@H]2CCn3ccnc32)C(C)C)cc1 ZINC000557930329 327036288 /nfs/dbraw/zinc/03/62/88/327036288.db2.gz GYECXGCQUKZXKI-SJORKVTESA-N 0 1 283.419 3.877 20 0 CHADMN CC(C)C1CCC(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)CC1 ZINC000263491367 327046875 /nfs/dbraw/zinc/04/68/75/327046875.db2.gz IQIHPVYUENEJNO-LBDPXKHJSA-N 0 1 281.440 3.634 20 0 CHADMN CCCCc1nc(CN(CC(C)C)C2CCCC2)no1 ZINC000558074186 327057934 /nfs/dbraw/zinc/05/79/34/327057934.db2.gz WOCSRZFHNAAMBR-UHFFFAOYSA-N 0 1 279.428 3.813 20 0 CHADMN COc1nc(C)cc(C)c1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000558087267 327064630 /nfs/dbraw/zinc/06/46/30/327064630.db2.gz KLJDYRVYMHFUAX-OAHLLOKOSA-N 0 1 284.403 3.900 20 0 CHADMN COc1nc(C)cc(C)c1CN(C)[C@H](C)c1ccccc1 ZINC000558087267 327064632 /nfs/dbraw/zinc/06/46/32/327064632.db2.gz KLJDYRVYMHFUAX-OAHLLOKOSA-N 0 1 284.403 3.900 20 0 CHADMN Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccsc1 ZINC000506817247 332780686 /nfs/dbraw/zinc/78/06/86/332780686.db2.gz SUMDGMFROPBQPV-UHFFFAOYSA-N 0 1 295.429 3.981 20 0 CHADMN Cc1noc(C)c1CCN1CC(C)(C)[C@@H]1c1cccs1 ZINC000558174987 327077172 /nfs/dbraw/zinc/07/71/72/327077172.db2.gz FOLWQBYAMYKJPN-HNNXBMFYSA-N 0 1 290.432 3.979 20 0 CHADMN C[C@H](NCc1ccno1)c1ccc(F)c2ccccc21 ZINC000558170953 327077665 /nfs/dbraw/zinc/07/76/65/327077665.db2.gz ZXUOYZNQYJATGC-NSHDSACASA-N 0 1 270.307 3.818 20 0 CHADMN CC(C)(C)OC(=O)CCN1CC(C)(C)[C@@H]1c1cccs1 ZINC000558177816 327077808 /nfs/dbraw/zinc/07/78/08/327077808.db2.gz YRJDSXRKWQZMMB-AWEZNQCLSA-N 0 1 295.448 3.863 20 0 CHADMN CC(C)(C)OCc1cc(CN[C@H]2CC[C@@H]2C(C)(C)C)no1 ZINC000558256461 327083198 /nfs/dbraw/zinc/08/31/98/327083198.db2.gz IVALIZLWSVYNSY-GJZGRUSLSA-N 0 1 294.439 3.904 20 0 CHADMN CCC[C@@H](C)[C@H](CO)NCc1csc(C2CCCC2)n1 ZINC000577180421 327089269 /nfs/dbraw/zinc/08/92/69/327089269.db2.gz FYYMWNBVPWSGIK-DOMZBBRYSA-N 0 1 296.480 3.687 20 0 CHADMN Fc1cccc([C@H]2CCN(Cc3ccc(Cl)cn3)C2)c1 ZINC000558408139 327092303 /nfs/dbraw/zinc/09/23/03/327092303.db2.gz SCQBCOLCDLBGBJ-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN Clc1ccc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)nc1 ZINC000558410146 327092332 /nfs/dbraw/zinc/09/23/32/327092332.db2.gz BYRCEWVSDCDSQB-INIZCTEOSA-N 0 1 294.826 3.659 20 0 CHADMN C[C@@H](c1ccccc1F)N1CCC(F)(F)[C@@H](C)C1 ZINC000558467614 327096753 /nfs/dbraw/zinc/09/67/53/327096753.db2.gz ZLRJJMRVGCWEMZ-QWRGUYRKSA-N 0 1 257.299 3.864 20 0 CHADMN CSc1ccc(CN2CC[C@H](OCC(C)C)C2)s1 ZINC000558569736 327106973 /nfs/dbraw/zinc/10/69/73/327106973.db2.gz PGGUYZTVTGOZNY-LBPRGKRZSA-N 0 1 285.478 3.717 20 0 CHADMN Fc1cccc(CN2CCS[C@H]3CCCC[C@H]32)c1F ZINC000530992697 327121297 /nfs/dbraw/zinc/12/12/97/327121297.db2.gz DNJZJGGRDLMWAP-KGLIPLIRSA-N 0 1 283.387 3.825 20 0 CHADMN Cc1cc2cc(NC(=O)c3cn[nH]c3C(C)(C)C)ccc2[nH]1 ZINC000559021526 327138226 /nfs/dbraw/zinc/13/82/26/327138226.db2.gz SHHXONFPACXTLV-UHFFFAOYSA-N 0 1 296.374 3.749 20 0 CHADMN COc1cc(F)cc(CN[C@H](C)c2cccc(F)c2)c1 ZINC000093899442 327146002 /nfs/dbraw/zinc/14/60/02/327146002.db2.gz BKQFZKCYGAJEIS-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN Fc1ccccc1[C@@H]1CCN(Cc2ccc(Cl)cn2)C1 ZINC000559301633 327156909 /nfs/dbraw/zinc/15/69/09/327156909.db2.gz FIOQYJMEWIYZQS-GFCCVEGCSA-N 0 1 290.769 3.864 20 0 CHADMN CCC1CCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CC1 ZINC000518413171 327161984 /nfs/dbraw/zinc/16/19/84/327161984.db2.gz JICBMZMQNLUOBK-UHFFFAOYSA-N 0 1 297.402 3.647 20 0 CHADMN COc1ccc(Br)cc1CN1CCC(C)(C)C1 ZINC000091439747 327170082 /nfs/dbraw/zinc/17/00/82/327170082.db2.gz LOPPFQQYNDIFKH-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@H]1CSC[C@@H]1C ZINC000569394082 327172051 /nfs/dbraw/zinc/17/20/51/327172051.db2.gz FFKCKLHKHJUNSJ-XPTSAGLGSA-N 0 1 292.379 3.546 20 0 CHADMN Cc1ccc(CN[C@H]2c3ccc(F)cc3O[C@H]2C)cc1F ZINC000569405470 327172642 /nfs/dbraw/zinc/17/26/42/327172642.db2.gz FNCOBCUBHWZIBC-APPDUMDISA-N 0 1 289.325 3.885 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)c1 ZINC000518547168 327173386 /nfs/dbraw/zinc/17/33/86/327173386.db2.gz WWNCHDXJUHGIBT-QWGSZXSUSA-N 0 1 297.354 3.656 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1ccc(F)c(F)c1 ZINC000092224208 327190496 /nfs/dbraw/zinc/19/04/96/327190496.db2.gz WEVIOLUWFQOORZ-MRXNPFEDSA-N 0 1 276.330 3.943 20 0 CHADMN CC[C@@H](c1ccncc1)N(C)Cc1ccnc(Cl)c1 ZINC000092224404 327190508 /nfs/dbraw/zinc/19/05/08/327190508.db2.gz FHZJQXMVKCGZJU-AWEZNQCLSA-N 0 1 275.783 3.713 20 0 CHADMN CC(C)(C)CCC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000410415392 327192818 /nfs/dbraw/zinc/19/28/18/327192818.db2.gz VQKNREQQRKYSRE-MRXNPFEDSA-N 0 1 277.408 3.592 20 0 CHADMN CC(C)(C)CCCN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000410415392 327192819 /nfs/dbraw/zinc/19/28/19/327192819.db2.gz VQKNREQQRKYSRE-MRXNPFEDSA-N 0 1 277.408 3.592 20 0 CHADMN Cc1ccc([C@H]2CSCCN2Cc2ncccc2C)cc1 ZINC000093174558 327196781 /nfs/dbraw/zinc/19/67/81/327196781.db2.gz AREHGICHHDABRA-GOSISDBHSA-N 0 1 298.455 3.989 20 0 CHADMN Cc1cccc(F)c1NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000181671446 327212569 /nfs/dbraw/zinc/21/25/69/327212569.db2.gz POZQZJNXDKKQEK-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCCN1CC=C(C(F)(F)F)CC1 ZINC000533833863 327220647 /nfs/dbraw/zinc/22/06/47/327220647.db2.gz GXNYACPBBYEZHT-TZMCWYRMSA-N 0 1 291.357 3.776 20 0 CHADMN Cc1ccccc1OCCCN1CC=C(C(F)(F)F)CC1 ZINC000533834865 327220859 /nfs/dbraw/zinc/22/08/59/327220859.db2.gz AXPGHYYAPLHNOH-UHFFFAOYSA-N 0 1 299.336 3.958 20 0 CHADMN CC[C@@H]1CCCC[N@H+]1Cc1c(Cl)cccc1C(=O)[O-] ZINC000584297022 327228057 /nfs/dbraw/zinc/22/80/57/327228057.db2.gz RWOZKNAZNMLZCP-LLVKDONJSA-N 0 1 281.783 3.803 20 0 CHADMN CCSCc1ccnc(NCc2ccc3nc[nH]c3c2)c1 ZINC000536422595 327237171 /nfs/dbraw/zinc/23/71/71/327237171.db2.gz XULXEFRDERGIPD-UHFFFAOYSA-N 0 1 298.415 3.823 20 0 CHADMN Cn1cccc1[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000531104739 327248268 /nfs/dbraw/zinc/24/82/68/327248268.db2.gz SGSIDCQBSGYIJW-KRWDZBQOSA-N 0 1 272.367 3.891 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)N[C@@H]1CCC[C@@H]1F ZINC000559913216 327270689 /nfs/dbraw/zinc/27/06/89/327270689.db2.gz GYNZVBIPYGTIPF-KWCYVHTRSA-N 0 1 251.345 3.545 20 0 CHADMN CCc1nc(C)c([C@@H](C)N[C@H]2CCC[C@H]2F)s1 ZINC000559916683 327270954 /nfs/dbraw/zinc/27/09/54/327270954.db2.gz LHZMMEOMQTXAEW-IEBDPFPHSA-N 0 1 256.390 3.555 20 0 CHADMN FC(F)(F)C1CC(NCc2coc(-c3ccccc3)n2)C1 ZINC000569616080 327291085 /nfs/dbraw/zinc/29/10/85/327291085.db2.gz HGVGFVMELGDKOP-UHFFFAOYSA-N 0 1 296.292 3.772 20 0 CHADMN Cc1nnsc1CN1CCC[C@H]1c1cc(C)ccc1C ZINC000566301825 327295018 /nfs/dbraw/zinc/29/50/18/327295018.db2.gz PUZKICRARZDPPS-HNNXBMFYSA-N 0 1 287.432 3.800 20 0 CHADMN CC(C)[C@H]1C[C@@H](N[C@H](C)c2nccn2C)c2ccccc21 ZINC000448035761 327298112 /nfs/dbraw/zinc/29/81/12/327298112.db2.gz SCFBVKOBUYVORJ-KBRIMQKVSA-N 0 1 283.419 3.955 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@H](C)c1ccc2n[nH]cc2c1 ZINC000560582985 327327818 /nfs/dbraw/zinc/32/78/18/327327818.db2.gz MZJJFOAKGMJMSU-OLZOCXBDSA-N 0 1 294.402 3.932 20 0 CHADMN c1ccc2c(CN3CCOC[C@H]3CC3CCC3)ccnc2c1 ZINC000560628811 327331808 /nfs/dbraw/zinc/33/18/08/327331808.db2.gz GTEGANXRJGVWRN-QGZVFWFLSA-N 0 1 296.414 3.626 20 0 CHADMN Cc1cc(CN[C@H]2CCCc3occc32)ccc1F ZINC000050544841 327332046 /nfs/dbraw/zinc/33/20/46/327332046.db2.gz BRQLSACACAJTTJ-HNNXBMFYSA-N 0 1 259.324 3.894 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000566362795 327337823 /nfs/dbraw/zinc/33/78/23/327337823.db2.gz VLODHYCYZIXISC-MLGOLLRUSA-N 0 1 299.370 3.664 20 0 CHADMN CCCC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC000560709637 327338339 /nfs/dbraw/zinc/33/83/39/327338339.db2.gz LSDBIFQBGGFNTO-OAHLLOKOSA-N 0 1 296.842 3.639 20 0 CHADMN C[C@H]1CC(CC[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)C[C@H](C)C1 ZINC000582127418 327346270 /nfs/dbraw/zinc/34/62/70/327346270.db2.gz UVAAQPQCNLVHCJ-CKEIUWERSA-N 0 1 281.440 3.636 20 0 CHADMN c1ccc(-c2ncc(CN3CC4(C3)CCCC4)cn2)cc1 ZINC000583426674 327359135 /nfs/dbraw/zinc/35/91/35/327359135.db2.gz WNSMATPNQJAZFQ-UHFFFAOYSA-N 0 1 279.387 3.520 20 0 CHADMN CSC1(CN2CCc3sc(Cl)cc3C2)CC1 ZINC000583441461 327366564 /nfs/dbraw/zinc/36/65/64/327366564.db2.gz IETWXMKMCGASSL-UHFFFAOYSA-N 0 1 273.854 3.655 20 0 CHADMN C[N@@H+](CC[C@H](C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000574816321 327382232 /nfs/dbraw/zinc/38/22/32/327382232.db2.gz JPLFRKMOAUWBSG-INIZCTEOSA-N 0 1 275.392 3.509 20 0 CHADMN C[C@H](N[C@H](c1nccn1C)c1ccccc1)[C@@H]1CC1(C)C ZINC000561436538 327394772 /nfs/dbraw/zinc/39/47/72/327394772.db2.gz JOHKCNJNSJFAHM-BPUTZDHNSA-N 0 1 283.419 3.534 20 0 CHADMN CC[C@H]1CCC[C@H](NCc2noc(-c3cccs3)n2)C1 ZINC000564530365 327454061 /nfs/dbraw/zinc/45/40/61/327454061.db2.gz KKKRDMJCMUPNKI-RYUDHWBXSA-N 0 1 291.420 3.857 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1cscn1 ZINC000562736037 327510555 /nfs/dbraw/zinc/51/05/55/327510555.db2.gz LYNLOOHZOBRAGC-RTXFEEFZSA-N 0 1 282.453 3.776 20 0 CHADMN Cc1noc([C@@H](C)N[C@@H]2CCC[C@H]2c2ccc(C)cc2)n1 ZINC000569758999 327545350 /nfs/dbraw/zinc/54/53/50/327545350.db2.gz NCBZWKAQOYUWOZ-UHOFOFEASA-N 0 1 285.391 3.673 20 0 CHADMN CCOCc1ccc(CN[C@H](C)c2cncs2)cc1 ZINC000151623557 327552075 /nfs/dbraw/zinc/55/20/75/327552075.db2.gz YPLMRWGTDQIOHS-GFCCVEGCSA-N 0 1 276.405 3.530 20 0 CHADMN COC[C@@H](NCc1cccc(F)c1)c1cccc(Cl)c1 ZINC000569883648 327553569 /nfs/dbraw/zinc/55/35/69/327553569.db2.gz VSDSZEVDLYTVHM-MRXNPFEDSA-N 0 1 293.769 3.956 20 0 CHADMN CC[C@@](C)(NCc1sccc1C)c1nccs1 ZINC000152641971 327563386 /nfs/dbraw/zinc/56/33/86/327563386.db2.gz XKBOVXPDMPRFFL-CYBMUJFWSA-N 0 1 266.435 3.928 20 0 CHADMN COc1cc(F)cc(C[C@H](C)N[C@H](C)c2cscn2)c1 ZINC000570404457 327589193 /nfs/dbraw/zinc/58/91/93/327589193.db2.gz IQJDSEFNIFIDSH-WDEREUQCSA-N 0 1 294.395 3.573 20 0 CHADMN CCO[C@H](C)c1nc(CN[C@H]2CCC2(C)C)cs1 ZINC000570694233 327611644 /nfs/dbraw/zinc/61/16/44/327611644.db2.gz KNAQZWHEXLZRFQ-PWSUYJOCSA-N 0 1 268.426 3.519 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@H](C)c2cscn2)C12CCCC2 ZINC000535777349 328630946 /nfs/dbraw/zinc/63/09/46/328630946.db2.gz BGGOJQYKOZDNOC-KWCYVHTRSA-N 0 1 280.437 3.532 20 0 CHADMN Cc1cc(CN2C3CCC2CC3)ccc1Br ZINC000535779814 328631205 /nfs/dbraw/zinc/63/12/05/328631205.db2.gz CCDOJYRSCHDXMW-UHFFFAOYSA-N 0 1 280.209 3.884 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(Cc2ccccc2C)no1 ZINC000395320453 328735945 /nfs/dbraw/zinc/73/59/45/328735945.db2.gz LKFFREFPWMIMAN-CQSZACIVSA-N 0 1 287.407 3.666 20 0 CHADMN CCC(CC)NC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000042336634 328763983 /nfs/dbraw/zinc/76/39/83/328763983.db2.gz YRCHQPZOTKUAGD-RYUDHWBXSA-N 0 1 296.842 3.684 20 0 CHADMN CCN(CC)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000532458257 328779748 /nfs/dbraw/zinc/77/97/48/328779748.db2.gz WNWPBWCDFBHBHQ-LBPRGKRZSA-N 0 1 282.815 3.626 20 0 CHADMN CC1(C)C[C@H](NCc2c(Cl)cccc2Cl)CO1 ZINC000396487835 328823317 /nfs/dbraw/zinc/82/33/17/328823317.db2.gz APGOVUJSMBIHCX-VIFPVBQESA-N 0 1 274.191 3.651 20 0 CHADMN C[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1cc2ccccc2o1 ZINC000563984587 328842425 /nfs/dbraw/zinc/84/24/25/328842425.db2.gz IOUKNDYUJNXZTG-WBMJQRKESA-N 0 1 299.345 3.956 20 0 CHADMN CCC[C@H](O)CN[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000361400830 328923570 /nfs/dbraw/zinc/92/35/70/328923570.db2.gz SGAKFQVASBQELJ-OCCSQVGLSA-N 0 1 290.432 3.622 20 0 CHADMN Clc1sccc1CN1CCC([C@H]2CCCO2)CC1 ZINC000361611274 328926287 /nfs/dbraw/zinc/92/62/87/328926287.db2.gz PWNVMSSAQVMPGL-CYBMUJFWSA-N 0 1 285.840 3.793 20 0 CHADMN C[C@H]1CCC[C@H](N(C)C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000582451797 329011822 /nfs/dbraw/zinc/01/18/22/329011822.db2.gz AIKAEMFEAPQHRI-ZFWWWQNUSA-N 0 1 297.402 3.727 20 0 CHADMN CC(C)(CNCc1noc2c1CCCC2)c1ccccc1 ZINC000377403726 329014327 /nfs/dbraw/zinc/01/43/27/329014327.db2.gz OFMMSLPBVSLNTF-UHFFFAOYSA-N 0 1 284.403 3.621 20 0 CHADMN CC1CCC(OC2CCN(Cc3ccccn3)CC2)CC1 ZINC000377591606 329019477 /nfs/dbraw/zinc/01/94/77/329019477.db2.gz UHJTYQNNBXHMMK-UHFFFAOYSA-N 0 1 288.435 3.641 20 0 CHADMN CC(C)c1cnc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)s1 ZINC000377851335 329031662 /nfs/dbraw/zinc/03/16/62/329031662.db2.gz JRZHPAQNQNSOME-IAOVAPTHSA-N 0 1 284.428 3.694 20 0 CHADMN CC(C)(C)c1cc(CN2CC[C@@H](c3ccco3)C2)no1 ZINC000377878525 329032857 /nfs/dbraw/zinc/03/28/57/329032857.db2.gz JPTLTZWTTTUNMB-GFCCVEGCSA-N 0 1 274.364 3.555 20 0 CHADMN CCC(CC)N(CC(C)C)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000378100359 329040047 /nfs/dbraw/zinc/04/00/47/329040047.db2.gz LQBIEOIRFAJZHW-AWEZNQCLSA-N 0 1 291.439 3.503 20 0 CHADMN Cc1cnc(CN2CCC[C@@H](c3ccc(F)cc3)CC2)o1 ZINC000378492297 329052671 /nfs/dbraw/zinc/05/26/71/329052671.db2.gz IOTLBFXVZPNABY-CQSZACIVSA-N 0 1 288.366 3.892 20 0 CHADMN Cc1ccc(C(=O)Nc2cccc3c2CN(C2CC2)C3)s1 ZINC000378525209 329054024 /nfs/dbraw/zinc/05/40/24/329054024.db2.gz DJIISYROYGVUKV-UHFFFAOYSA-N 0 1 298.411 3.787 20 0 CHADMN Cc1ccccc1[C@@H](C)SCc1n[nH]c(C2CC2)n1 ZINC000193693184 329061048 /nfs/dbraw/zinc/06/10/48/329061048.db2.gz ZKFXAPDYEMIYHT-LLVKDONJSA-N 0 1 273.405 3.985 20 0 CHADMN CSC1(CN[C@@H](C)c2csc(C(C)C)n2)CC1 ZINC000193831828 329062065 /nfs/dbraw/zinc/06/20/65/329062065.db2.gz IQEMQMRQMXACCP-JTQLQIEISA-N 0 1 270.467 3.813 20 0 CHADMN C=Cn1cc(CN(Cc2ccc(F)cc2)CC2CC2)cn1 ZINC000193975723 329064427 /nfs/dbraw/zinc/06/44/27/329064427.db2.gz ULCPBOCZZNFGLE-UHFFFAOYSA-N 0 1 285.366 3.535 20 0 CHADMN C[C@H](NCc1nc(-c2ccccc2)c[nH]1)c1ccccc1 ZINC000194218848 329068395 /nfs/dbraw/zinc/06/83/95/329068395.db2.gz VVQQKZGLWTWCLF-AWEZNQCLSA-N 0 1 277.371 3.928 20 0 CHADMN CCN(Cc1coc(-c2ccc(F)c(F)c2)n1)C(C)C ZINC000171499676 329076646 /nfs/dbraw/zinc/07/66/46/329076646.db2.gz QQWWWIWKDTYNSU-UHFFFAOYSA-N 0 1 280.318 3.850 20 0 CHADMN C[C@@H]1CN(Cc2cc(Cl)cc3cccnc32)CCS1 ZINC000171691291 329078613 /nfs/dbraw/zinc/07/86/13/329078613.db2.gz ULAXOCBYCOPXBD-LLVKDONJSA-N 0 1 292.835 3.826 20 0 CHADMN COc1c(C)cc(CNc2nccn2CC(C)C)cc1C ZINC000508500407 332839794 /nfs/dbraw/zinc/83/97/94/332839794.db2.gz KOEQVHCEPRECJO-UHFFFAOYSA-N 0 1 287.407 3.777 20 0 CHADMN CCC(CC)[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000583705141 329086341 /nfs/dbraw/zinc/08/63/41/329086341.db2.gz HLBVIMHVUREBLM-UHFFFAOYSA-N 0 1 279.355 3.677 20 0 CHADMN Fc1ccc(Br)cc1CN[C@H]1CCC[C@H]1F ZINC000393520890 329087112 /nfs/dbraw/zinc/08/71/12/329087112.db2.gz OKFIHCOTIURJSW-NEPJUHHUSA-N 0 1 290.151 3.568 20 0 CHADMN CC1(C)CCC[C@H](C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])C1 ZINC000582533912 329108229 /nfs/dbraw/zinc/10/82/29/329108229.db2.gz IALFFNUNVKPYED-JJXSEGSLSA-N 0 1 293.451 3.921 20 0 CHADMN CC(C)c1ccc(C[N@@H+](CC2(C(=O)[O-])CC2)C2CC2)cc1 ZINC000582730180 329132085 /nfs/dbraw/zinc/13/20/85/329132085.db2.gz KQMPWNOHPAODHA-UHFFFAOYSA-N 0 1 287.403 3.639 20 0 CHADMN Cc1ccccc1[C@H](C)[N@@H+](C)CCCCCC(=O)[O-] ZINC000582730051 329132135 /nfs/dbraw/zinc/13/21/35/329132135.db2.gz JAFZQHWMRYAAAM-AWEZNQCLSA-N 0 1 263.381 3.633 20 0 CHADMN CCn1ccnc1CN1CCC[C@H]1c1cccc(C)c1C ZINC000172837046 329139235 /nfs/dbraw/zinc/13/92/35/329139235.db2.gz MAFYEJLYKSEKOR-KRWDZBQOSA-N 0 1 283.419 3.857 20 0 CHADMN Cc1ccccc1CCC[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000582755375 329144644 /nfs/dbraw/zinc/14/46/44/329144644.db2.gz QWKSXLWVFJVWNY-RBUKOAKNSA-N 0 1 299.458 3.961 20 0 CHADMN Cc1cnc(CN2CCC(c3c[nH]c4ccccc43)CC2)o1 ZINC000173469870 329147238 /nfs/dbraw/zinc/14/72/38/329147238.db2.gz FETSNOZZVHXTIW-UHFFFAOYSA-N 0 1 295.386 3.844 20 0 CHADMN Cc1ccc(F)c(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000582757214 329147414 /nfs/dbraw/zinc/14/74/14/329147414.db2.gz BZTRZCRBHTVOGS-HZPDHXFCSA-N 0 1 277.383 3.524 20 0 CHADMN CC[C@H]1CN(Cc2ccc(SC)c(OC)c2)CCS1 ZINC000174357278 329157876 /nfs/dbraw/zinc/15/78/76/329157876.db2.gz CRXJPESUFJXIOL-ZDUSSCGKSA-N 0 1 297.489 3.745 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2cc(-c3ccco3)on2)C1 ZINC000174476488 329159289 /nfs/dbraw/zinc/15/92/89/329159289.db2.gz AUIQKANOERRMPM-RYUDHWBXSA-N 0 1 260.337 3.555 20 0 CHADMN CCCC(C)(C)CC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000429245312 329160447 /nfs/dbraw/zinc/16/04/47/329160447.db2.gz OLFDVRZERXYMGZ-UHFFFAOYSA-N 0 1 286.379 3.627 20 0 CHADMN Cc1cc(OCCCSCC(C)C)cc(C)n1 ZINC000547814596 329171846 /nfs/dbraw/zinc/17/18/46/329171846.db2.gz ACRQCLLZTBPKKP-UHFFFAOYSA-N 0 1 253.411 3.857 20 0 CHADMN COc1ccc(F)cc1[C@H](C)NC/C=C\c1ccncc1 ZINC000486988562 329176997 /nfs/dbraw/zinc/17/69/97/329176997.db2.gz JJRPQPXOCBNLJA-SCOBNMCVSA-N 0 1 286.350 3.593 20 0 CHADMN C[C@@H](N(C)Cc1coc(-c2ccccc2)n1)C1(C)CC1 ZINC000177219630 329182332 /nfs/dbraw/zinc/18/23/32/329182332.db2.gz QOPJGBGGCAZAEK-CYBMUJFWSA-N 0 1 270.376 3.962 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C)[nH]n2)o1 ZINC000177909867 329190348 /nfs/dbraw/zinc/19/03/48/329190348.db2.gz IULKAFZANYZKAE-UHFFFAOYSA-N 0 1 295.342 3.847 20 0 CHADMN CN(Cc1cc2ccccc2o1)Cc1cccc(O)c1 ZINC000178537807 329198374 /nfs/dbraw/zinc/19/83/74/329198374.db2.gz KKQXYIJCVWHQLW-UHFFFAOYSA-N 0 1 267.328 3.770 20 0 CHADMN CC(C)CC[C@H]1CCCN1Cc1nc(C(C)C)no1 ZINC000178552024 329198414 /nfs/dbraw/zinc/19/84/14/329198414.db2.gz YAXGXQYMAFSATF-CYBMUJFWSA-N 0 1 265.401 3.594 20 0 CHADMN CCOC[C@H](C)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000178727694 329200199 /nfs/dbraw/zinc/20/01/99/329200199.db2.gz HZCLQZIQMXAWDT-STQMWFEESA-N 0 1 290.432 3.886 20 0 CHADMN CC[C@@H](NCc1ccoc1)c1cc(C)ccc1OC ZINC000179404294 329205476 /nfs/dbraw/zinc/20/54/76/329205476.db2.gz DTDKXDMYOFRCFJ-OAHLLOKOSA-N 0 1 259.349 3.838 20 0 CHADMN Clc1ccc(SCc2n[nH]c(C3CC3)n2)cc1 ZINC000179647433 329210946 /nfs/dbraw/zinc/21/09/46/329210946.db2.gz NHIXIHYHOJEJHZ-UHFFFAOYSA-N 0 1 265.769 3.628 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2cc(F)ccc21)c1ccoc1 ZINC000179961974 329213967 /nfs/dbraw/zinc/21/39/67/329213967.db2.gz MIHKTIXMNRTIDH-IAQYHMDHSA-N 0 1 275.323 3.983 20 0 CHADMN CCCC(C)(C)CC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000469500827 329219649 /nfs/dbraw/zinc/21/96/49/329219649.db2.gz BSEGGNQVBDEUMK-UHFFFAOYSA-N 0 1 287.407 3.704 20 0 CHADMN Cc1cnc(CN(C)C2CCC(C)(C)CC2)s1 ZINC000180539596 329220553 /nfs/dbraw/zinc/22/05/53/329220553.db2.gz FJKPXTODOQHODR-UHFFFAOYSA-N 0 1 252.427 3.852 20 0 CHADMN CC[C@H](NC[C@@H](O)C(F)F)c1ccc(Cl)cc1Cl ZINC000224465595 329244060 /nfs/dbraw/zinc/24/40/60/329244060.db2.gz PPANKOJQEJINAZ-WDEREUQCSA-N 0 1 298.160 3.660 20 0 CHADMN Cc1cncc(CN[C@H](C)c2cc(F)c(F)c(F)c2)c1 ZINC000181842565 329237898 /nfs/dbraw/zinc/23/78/98/329237898.db2.gz XNINLGGUVZHSBH-SNVBAGLBSA-N 0 1 280.293 3.658 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2[C@H](C)CC[C@H]2C)s1 ZINC000183605973 329251331 /nfs/dbraw/zinc/25/13/31/329251331.db2.gz JDXAJJGVOACZKP-HTQZYQBOSA-N 0 1 278.343 3.843 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2CCC[C@@H]1C)c1nccn1C ZINC000185285316 329270016 /nfs/dbraw/zinc/27/00/16/329270016.db2.gz VLZOHRDEXMUCCK-GRDNDAEWSA-N 0 1 283.419 3.784 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2CCC[C@@H]1C)c1nccn1C ZINC000185285344 329270200 /nfs/dbraw/zinc/27/02/00/329270200.db2.gz VLZOHRDEXMUCCK-ZQIUZPCESA-N 0 1 283.419 3.784 20 0 CHADMN Cn1ncc2ccc(CNCc3ccccc3Cl)cc21 ZINC000582879229 329284382 /nfs/dbraw/zinc/28/43/82/329284382.db2.gz JCLVPIHLQKMQHA-UHFFFAOYSA-N 0 1 285.778 3.517 20 0 CHADMN Fc1cccc(C2CCN(Cc3ccco3)CC2)c1F ZINC000582879851 329284497 /nfs/dbraw/zinc/28/44/97/329284497.db2.gz NZGULWHOXCMCDX-UHFFFAOYSA-N 0 1 277.314 3.937 20 0 CHADMN CC1(C)CC[C@H]1NCc1ncc(Cl)cc1Cl ZINC000583034493 329305747 /nfs/dbraw/zinc/30/57/47/329305747.db2.gz NVHAQHNBHKWZKF-LLVKDONJSA-N 0 1 259.180 3.667 20 0 CHADMN CC1(C[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])CCC1 ZINC000583036233 329306083 /nfs/dbraw/zinc/30/60/83/329306083.db2.gz DYKLBLIKKAZBKK-CABCVRRESA-N 0 1 279.424 3.532 20 0 CHADMN CCN(Cc1ccc(OC)cc1Br)C1CCC1 ZINC000583110445 329312788 /nfs/dbraw/zinc/31/27/88/329312788.db2.gz FZUTZAXLCYNXRJ-UHFFFAOYSA-N 0 1 298.224 3.832 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC1CCCC1 ZINC000583095568 329315423 /nfs/dbraw/zinc/31/54/23/329315423.db2.gz NPGSWYSIWYWDQM-CVEARBPZSA-N 0 1 279.424 3.532 20 0 CHADMN COc1cc(C)ccc1[C@H](C)NCc1cnc(C)cc1C ZINC000397064207 329322158 /nfs/dbraw/zinc/32/21/58/329322158.db2.gz SHMSYVDRCLBSAO-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN CC[C@@H]1[C@@H](C)CCN1Cc1nnc(Cc2ccccc2C)o1 ZINC000185676701 329328794 /nfs/dbraw/zinc/32/87/94/329328794.db2.gz NSEZZJYDPBSSMR-GOEBONIOSA-N 0 1 299.418 3.589 20 0 CHADMN Cc1nc([C@H](C)N[C@H](C)c2cccc(Cl)c2Cl)n[nH]1 ZINC000392462005 329340566 /nfs/dbraw/zinc/34/05/66/329340566.db2.gz NQJPOERALKBNBH-SFYZADRCSA-N 0 1 299.205 3.832 20 0 CHADMN Cc1nc([C@@H](C)N[C@H](C)c2ccccc2C(F)(F)F)n[nH]1 ZINC000392451020 329341358 /nfs/dbraw/zinc/34/13/58/329341358.db2.gz GSQICSXBDQDBHC-RKDXNWHRSA-N 0 1 298.312 3.544 20 0 CHADMN Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cccc3ccccc32)[nH]1 ZINC000392459691 329341425 /nfs/dbraw/zinc/34/14/25/329341425.db2.gz MCXQALWFFBXECQ-RYUDHWBXSA-N 0 1 280.375 3.678 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186433024 329342420 /nfs/dbraw/zinc/34/24/20/329342420.db2.gz FUFPIEYHTILTEK-IBGZPJMESA-N 0 1 279.383 3.626 20 0 CHADMN COc1ccc(OC(F)F)c(CN2CCCC3(CC3)C2)c1 ZINC000186613309 329346354 /nfs/dbraw/zinc/34/63/54/329346354.db2.gz ZFGDNGFUKWLRIP-UHFFFAOYSA-N 0 1 297.345 3.673 20 0 CHADMN COc1cccc(CN2CCCC3(CC3)C2)c1OC(F)F ZINC000186612427 329346502 /nfs/dbraw/zinc/34/65/02/329346502.db2.gz BSNSNOCAHJVQNS-UHFFFAOYSA-N 0 1 297.345 3.673 20 0 CHADMN COc1ccc2nc(CN(C(C)C)C3CC3)sc2c1 ZINC000186667074 329347028 /nfs/dbraw/zinc/34/70/28/329347028.db2.gz NZFAPSNUSBJBJH-UHFFFAOYSA-N 0 1 276.405 3.678 20 0 CHADMN FC(F)(F)COCCN1CCC(c2ccsc2)CC1 ZINC000186950761 329350456 /nfs/dbraw/zinc/35/04/56/329350456.db2.gz GTOVFKRLDOKRQK-UHFFFAOYSA-N 0 1 293.354 3.506 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SC3CCC3)n2)o1 ZINC000430966901 329351505 /nfs/dbraw/zinc/35/15/05/329351505.db2.gz PZGMDTMUGLFNGL-FPLPWBNLSA-N 0 1 261.350 3.521 20 0 CHADMN Cc1ccc(CN2CCSC[C@H]2c2ccccc2)c(C)n1 ZINC000187046252 329351893 /nfs/dbraw/zinc/35/18/93/329351893.db2.gz HYGSPXRSHCLIIT-SFHVURJKSA-N 0 1 298.455 3.989 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1ccc(C)nc1C ZINC000187367607 329355835 /nfs/dbraw/zinc/35/58/35/329355835.db2.gz UIKSPQIHCHTWKZ-QGZVFWFLSA-N 0 1 269.392 3.677 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(F)c(F)c2)c(C)n1 ZINC000187402370 329357460 /nfs/dbraw/zinc/35/74/60/329357460.db2.gz GEQOXNPNDWRKCW-NSHDSACASA-N 0 1 276.330 3.827 20 0 CHADMN COc1ccc(Cl)c(CSc2nc(C3CC3)n[nH]2)c1 ZINC000187842930 329361142 /nfs/dbraw/zinc/36/11/42/329361142.db2.gz LWWCZDUFSFOEMW-UHFFFAOYSA-N 0 1 295.795 3.636 20 0 CHADMN COc1ccc(Cl)c(CSc2n[nH]c(C3CC3)n2)c1 ZINC000187842930 329361143 /nfs/dbraw/zinc/36/11/43/329361143.db2.gz LWWCZDUFSFOEMW-UHFFFAOYSA-N 0 1 295.795 3.636 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000188856282 329373727 /nfs/dbraw/zinc/37/37/27/329373727.db2.gz PITGMAQFXZLPCA-NSHDSACASA-N 0 1 293.773 3.582 20 0 CHADMN CCCCc1noc([C@H](C)N2CCC[C@H](C)CC2)n1 ZINC000063309296 329378383 /nfs/dbraw/zinc/37/83/83/329378383.db2.gz PRMXCHGTQUHRDT-STQMWFEESA-N 0 1 265.401 3.595 20 0 CHADMN Fc1ccc(CN2CCC[C@H]2c2cccs2)cn1 ZINC000189285291 329379091 /nfs/dbraw/zinc/37/90/91/329379091.db2.gz PPPUCSWICDRVDN-LBPRGKRZSA-N 0 1 262.353 3.619 20 0 CHADMN c1csc(CNc2nccn2-c2ccccc2)c1 ZINC000232462399 329387231 /nfs/dbraw/zinc/38/72/31/329387231.db2.gz NJDBJEDCNKZJSB-UHFFFAOYSA-N 0 1 255.346 3.546 20 0 CHADMN CC(C)Cn1ccnc1NCc1cccc(Cl)c1 ZINC000232685138 329391309 /nfs/dbraw/zinc/39/13/09/329391309.db2.gz COMMTDUUAULHMG-UHFFFAOYSA-N 0 1 263.772 3.805 20 0 CHADMN Cc1ccc(F)c(CNCc2ccc3ncccc3c2)c1 ZINC000192978841 329438055 /nfs/dbraw/zinc/43/80/55/329438055.db2.gz LIKRNOSFCZLIAP-UHFFFAOYSA-N 0 1 280.346 3.972 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccccc2F)[C@H](C)O)cc1C ZINC000584534645 329515699 /nfs/dbraw/zinc/51/56/99/329515699.db2.gz ZBEZZBHPEXNMBZ-KBXCAEBGSA-N 0 1 287.378 3.654 20 0 CHADMN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(F)cc1O ZINC000123825097 329563359 /nfs/dbraw/zinc/56/33/59/329563359.db2.gz JJMIZXNRSZXCGJ-JSGCOSHPSA-N 0 1 299.345 3.550 20 0 CHADMN CC[C@H](NCc1cccc2c1OCO2)c1cccc(OC)c1 ZINC000130847115 329628957 /nfs/dbraw/zinc/62/89/57/329628957.db2.gz OWJRUISSOKRJBW-INIZCTEOSA-N 0 1 299.370 3.665 20 0 CHADMN Cc1ccc(CNCc2ccc(Cl)c(Cl)c2)cn1 ZINC000057591349 329677676 /nfs/dbraw/zinc/67/76/76/329677676.db2.gz FVQOKZSTJFSDDJ-UHFFFAOYSA-N 0 1 281.186 3.987 20 0 CHADMN COCC(C)(C)NCc1cc(-c2ccccc2Cl)on1 ZINC000419192097 329712773 /nfs/dbraw/zinc/71/27/73/329712773.db2.gz OWNPGQVLTLDTSK-UHFFFAOYSA-N 0 1 294.782 3.510 20 0 CHADMN CO[C@H](CNC1(c2nccs2)CCCC1)CC(C)C ZINC000419233856 329713766 /nfs/dbraw/zinc/71/37/66/329713766.db2.gz HLMBVEPRDMFOCB-ZDUSSCGKSA-N 0 1 282.453 3.563 20 0 CHADMN CCc1ccc(-c2noc([C@@H](C)NCC[C@H](C)F)n2)cc1 ZINC000509592130 332874806 /nfs/dbraw/zinc/87/48/06/332874806.db2.gz MTMCQLXLRZPLGG-NWDGAFQWSA-N 0 1 291.370 3.698 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(F)c(F)c2)cc(C)n1 ZINC000421209790 329806250 /nfs/dbraw/zinc/80/62/50/329806250.db2.gz ZROSUMYURQMVGI-LBPRGKRZSA-N 0 1 276.330 3.827 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(F)cc2F)cc(C)n1 ZINC000421192047 329806946 /nfs/dbraw/zinc/80/69/46/329806946.db2.gz ABUKCXMXZDYECT-GFCCVEGCSA-N 0 1 276.330 3.827 20 0 CHADMN CCc1noc(C)c1CNCc1cccc(C2CC2)c1 ZINC000421374211 329816338 /nfs/dbraw/zinc/81/63/38/329816338.db2.gz BIZGYAVLKJVUPC-UHFFFAOYSA-N 0 1 270.376 3.713 20 0 CHADMN CCc1cnc(CN[C@@H]2CCC[C@H]2CCC(C)C)o1 ZINC000572184079 329952995 /nfs/dbraw/zinc/95/29/95/329952995.db2.gz XFPVZHNATGOSLZ-DZGCQCFKSA-N 0 1 264.413 3.932 20 0 CHADMN C[C@H](c1ccc(Cl)s1)c1nc(C2(N)CCCC2)no1 ZINC000261634615 329973737 /nfs/dbraw/zinc/97/37/37/329973737.db2.gz CUSVWGCSEDEBLK-MRVPVSSYSA-N 0 1 297.811 3.664 20 0 CHADMN C[C@H](NC/C=C/c1ccc(F)cc1)c1ccncc1F ZINC000509932099 332885969 /nfs/dbraw/zinc/88/59/69/332885969.db2.gz BIMPYDFAYMGXPV-JDGPPOGSSA-N 0 1 274.314 3.724 20 0 CHADMN NC1(c2noc(Cc3csc4ccccc34)n2)CCCC1 ZINC000261742678 329980981 /nfs/dbraw/zinc/98/09/81/329980981.db2.gz LCKMMHMMUCCEHR-UHFFFAOYSA-N 0 1 299.399 3.603 20 0 CHADMN CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CCCCC(=O)[O-] ZINC000262187964 330001559 /nfs/dbraw/zinc/00/15/59/330001559.db2.gz FQRHVLSHAPIYGB-MRXNPFEDSA-N 0 1 295.398 3.580 20 0 CHADMN CCC[C@H](C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000263036902 330039962 /nfs/dbraw/zinc/03/99/62/330039962.db2.gz ICXDEDKIYMVARK-OIISXLGYSA-N 0 1 289.419 3.613 20 0 CHADMN CC[C@@H](CC1CCCCC1)C(=O)N1CCN(C(C)C)CC1 ZINC000510091156 332891676 /nfs/dbraw/zinc/89/16/76/332891676.db2.gz WFYPVCMXINKATP-KRWDZBQOSA-N 0 1 294.483 3.536 20 0 CHADMN C[N@@H+](CCC(=O)[O-])Cc1ccc(-c2ccccc2Cl)o1 ZINC000263392739 330053827 /nfs/dbraw/zinc/05/38/27/330053827.db2.gz FQSGINZQDHTEME-UHFFFAOYSA-N 0 1 293.750 3.507 20 0 CHADMN Cc1cccc([C@@H]2CC[N@@H+](Cc3cccc(C(=O)[O-])c3)C2)c1 ZINC000263416176 330054901 /nfs/dbraw/zinc/05/49/01/330054901.db2.gz NGFWRBSLAXJPGE-GOSISDBHSA-N 0 1 295.382 3.683 20 0 CHADMN Cc1cc([NH+](C)C)cc(C)c1NCc1ccc(C(=O)[O-])cc1 ZINC000263445947 330056310 /nfs/dbraw/zinc/05/63/10/330056310.db2.gz XULGZYAAWJUMGX-UHFFFAOYSA-N 0 1 298.386 3.680 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1cccc(-c2ccc(C)cc2)c1 ZINC000263451225 330056522 /nfs/dbraw/zinc/05/65/22/330056522.db2.gz ZQWPDKDZIDBDMM-UHFFFAOYSA-N 0 1 297.398 3.959 20 0 CHADMN CC(C)[C@@H]1[N@@H+](Cc2cccc(C(=O)[O-])c2)CC12CCCC2 ZINC000263425136 330057686 /nfs/dbraw/zinc/05/76/86/330057686.db2.gz QGAUFBUZZRWGLT-INIZCTEOSA-N 0 1 287.403 3.785 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000263490631 330057702 /nfs/dbraw/zinc/05/77/02/330057702.db2.gz ILBXARWLMOXZGW-TXTZMMAHSA-N 0 1 299.414 3.508 20 0 CHADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263497741 330057925 /nfs/dbraw/zinc/05/79/25/330057925.db2.gz UGQXDFCRRBFWNU-BBRMVZONSA-N 0 1 275.392 3.785 20 0 CHADMN Cc1ccccc1-c1cccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])c1 ZINC000263516604 330058634 /nfs/dbraw/zinc/05/86/34/330058634.db2.gz OXPSGDZLNQXCDJ-OAHLLOKOSA-N 0 1 297.398 3.815 20 0 CHADMN Cc1ccccc1OCCN[C@@H](C)c1ccncc1Cl ZINC000421827176 330083770 /nfs/dbraw/zinc/08/37/70/330083770.db2.gz WQFSKBSUVKJBNZ-ZDUSSCGKSA-N 0 1 290.794 3.773 20 0 CHADMN COc1ccc([C@@H](NCc2ccoc2)C(C)C)c(F)c1 ZINC000421827049 330083827 /nfs/dbraw/zinc/08/38/27/330083827.db2.gz WBQXANOVAHSQNM-INIZCTEOSA-N 0 1 277.339 3.914 20 0 CHADMN COc1ccc([C@@H](N[C@@H]2CCC[C@@H]2F)C2CC2)c(F)c1 ZINC000421862769 330098338 /nfs/dbraw/zinc/09/83/38/330098338.db2.gz WQMJFFVZGFOMTA-IMJJTQAJSA-N 0 1 281.346 3.766 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc(F)c(F)c(F)c2)cc(C)n1 ZINC000421893932 330104652 /nfs/dbraw/zinc/10/46/52/330104652.db2.gz XLVNSTKREVPGCU-NSHDSACASA-N 0 1 294.320 3.967 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](c1ccccc1F)[C@@H](C)O)CC2 ZINC000580439853 330134749 /nfs/dbraw/zinc/13/47/49/330134749.db2.gz UJXRIRDKVGVEPL-ZNOIYHFQSA-N 0 1 299.389 3.833 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccc(C2CC2)cc1 ZINC000191325679 330136140 /nfs/dbraw/zinc/13/61/40/330136140.db2.gz LBDKZHIYTWNOJN-UHFFFAOYSA-N 0 1 297.402 3.649 20 0 CHADMN CC1(C)OC[C@H]2C[C@]21NCc1csc(Cl)c1Cl ZINC000527760801 330281402 /nfs/dbraw/zinc/28/14/02/330281402.db2.gz ASVGTCPWIXONKU-PELKAZGASA-N 0 1 292.231 3.712 20 0 CHADMN C[C@@H]1CC(F)(F)CCN1Cc1cc(F)cc2cccnc21 ZINC000528764696 330257072 /nfs/dbraw/zinc/25/70/72/330257072.db2.gz GCXYCRNTEONIAG-LLVKDONJSA-N 0 1 294.320 3.994 20 0 CHADMN C[C@@H]1C[C@H](C)N1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000527529719 330258431 /nfs/dbraw/zinc/25/84/31/330258431.db2.gz WKKXIBBNPAGMRZ-TXEJJXNPSA-N 0 1 275.783 3.508 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1ccnc(C)c1)[C@H]2C ZINC000527539185 330260824 /nfs/dbraw/zinc/26/08/24/330260824.db2.gz PPEGISQRYBRDQE-GJZGRUSLSA-N 0 1 296.414 3.906 20 0 CHADMN Cc1cc(CN2CCC(CC(F)(F)F)CC2)ccn1 ZINC000527540623 330261281 /nfs/dbraw/zinc/26/12/81/330261281.db2.gz RPJRQQKZGRBYHL-UHFFFAOYSA-N 0 1 272.314 3.554 20 0 CHADMN Cc1nc(C)c([C@H](C)N(C)Cc2ccnc(C)c2)s1 ZINC000527534613 330263024 /nfs/dbraw/zinc/26/30/24/330263024.db2.gz NJGMGKKZJIZDRP-LBPRGKRZSA-N 0 1 275.421 3.656 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(OC(F)F)cc2)ccn1 ZINC000527535787 330263803 /nfs/dbraw/zinc/26/38/03/330263803.db2.gz VXKPXGQPRCAHPB-UHFFFAOYSA-N 0 1 292.329 3.623 20 0 CHADMN Cc1ccc(CNCc2ccsc2C(F)(F)F)cn1 ZINC000527637223 330267607 /nfs/dbraw/zinc/26/76/07/330267607.db2.gz CJSHMNUSXZPVFT-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CCC(C)(C)NCc1ncc(Cl)cc1Br ZINC000527651713 330272315 /nfs/dbraw/zinc/27/23/15/330272315.db2.gz VYXLTFUIJACINR-UHFFFAOYSA-N 0 1 291.620 3.776 20 0 CHADMN CCC(F)(F)C(C)(C)CNc1cnn(-c2ccncc2)c1 ZINC000527653659 330272881 /nfs/dbraw/zinc/27/28/81/330272881.db2.gz OTUULINFJBSHTA-UHFFFAOYSA-N 0 1 294.349 3.751 20 0 CHADMN Clc1cnccc1CNc1cc2c(cn1)CCCC2 ZINC000527709528 330275767 /nfs/dbraw/zinc/27/57/67/330275767.db2.gz GKHHMPMFEKVSRA-UHFFFAOYSA-N 0 1 273.767 3.621 20 0 CHADMN Cc1ccncc1CNCc1ccsc1C(F)(F)F ZINC000527715399 330276296 /nfs/dbraw/zinc/27/62/96/330276296.db2.gz FXRZKHOEYLCANH-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN C[C@@H](NCc1cc(COC(C)(C)C)on1)[C@@H]1C[C@H]1C1CC1 ZINC000527695648 330279845 /nfs/dbraw/zinc/27/98/45/330279845.db2.gz PPYQBXBDZGAAGE-RLCCDNCMSA-N 0 1 292.423 3.514 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNCc2ccc3cn(C)nc3c2)o1 ZINC000527762070 330281355 /nfs/dbraw/zinc/28/13/55/330281355.db2.gz JQNVJYUURQDWFM-LRDDRELGSA-N 0 1 295.386 3.580 20 0 CHADMN Fc1cc(F)cc(CN[C@H](c2ccccn2)C2CCC2)c1 ZINC000527775133 330282321 /nfs/dbraw/zinc/28/23/21/330282321.db2.gz YPHSUGWISJZYTB-KRWDZBQOSA-N 0 1 288.341 3.991 20 0 CHADMN FC(F)(F)c1cnc(CNCC[C@@H]2CC=CCC2)s1 ZINC000527792053 330283585 /nfs/dbraw/zinc/28/35/85/330283585.db2.gz XMTOPCQZKDQMRG-SNVBAGLBSA-N 0 1 290.354 3.998 20 0 CHADMN CC[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1cc(C)ccc1C ZINC000527843287 330287431 /nfs/dbraw/zinc/28/74/31/330287431.db2.gz BVVSLDBQSPEJTJ-QZTJIDSGSA-N 0 1 296.414 3.571 20 0 CHADMN Cc1cccnc1CN[C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527858561 330289120 /nfs/dbraw/zinc/28/91/20/330289120.db2.gz LHDSERHRVPBVOA-HNNXBMFYSA-N 0 1 290.769 3.960 20 0 CHADMN CCc1ccc([C@@H](CC(C)C)NCc2nccn2C)cc1 ZINC000527860314 330289389 /nfs/dbraw/zinc/28/93/89/330289389.db2.gz UJYGZBNQRJKVIB-QGZVFWFLSA-N 0 1 285.435 3.860 20 0 CHADMN CC[C@@H](CCc1ccccc1)NCc1nn(C)cc1Cl ZINC000527904304 330289763 /nfs/dbraw/zinc/28/97/63/330289763.db2.gz KSTPRBGPRUPAPG-AWEZNQCLSA-N 0 1 291.826 3.575 20 0 CHADMN COCCC1CCN([C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000527936982 330293676 /nfs/dbraw/zinc/29/36/76/330293676.db2.gz SXSYZZPJPJZJOV-LBPRGKRZSA-N 0 1 283.362 3.774 20 0 CHADMN C[C@H](N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1cscn1 ZINC000527940997 330293985 /nfs/dbraw/zinc/29/39/85/330293985.db2.gz DETQFADNKOFYSX-SVKVFRCMSA-N 0 1 290.819 3.785 20 0 CHADMN Fc1ccc([C@H](NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c2ncc[nH]2)cc1 ZINC000527924360 330296343 /nfs/dbraw/zinc/29/63/43/330296343.db2.gz GULAHTLSHAYEQU-UTXMOHQDSA-N 0 1 299.393 3.664 20 0 CHADMN Cc1ccc([C@H](NCc2cccnc2C)C2CCC2)o1 ZINC000527988990 330299010 /nfs/dbraw/zinc/29/90/10/330299010.db2.gz VYDADWDEEFHFHE-QGZVFWFLSA-N 0 1 270.376 3.922 20 0 CHADMN Cc1ccc([C@@H](NCc2cccnc2C)C2CCC2)o1 ZINC000527988983 330299080 /nfs/dbraw/zinc/29/90/80/330299080.db2.gz VYDADWDEEFHFHE-KRWDZBQOSA-N 0 1 270.376 3.922 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccc3cn(C)nc3c2)o1 ZINC000527960682 330300574 /nfs/dbraw/zinc/30/05/74/330300574.db2.gz DBMYHKQRCYUYKE-LBPRGKRZSA-N 0 1 283.375 3.580 20 0 CHADMN Cc1cncc([C@H](C)N[C@@H](c2ccccn2)C2CCC2)c1 ZINC000527961689 330300647 /nfs/dbraw/zinc/30/06/47/330300647.db2.gz CQIKUQXNRWVPAK-KBXCAEBGSA-N 0 1 281.403 3.977 20 0 CHADMN C[C@H](N[C@H](c1ccccn1)C1CCC1)c1cccnc1 ZINC000527967198 330301221 /nfs/dbraw/zinc/30/12/21/330301221.db2.gz MRZUQSIYZOCTTN-GUYCJALGSA-N 0 1 267.376 3.669 20 0 CHADMN CO[C@@H](c1ccccc1)[C@H](C)N[C@@H](C)c1ncccc1F ZINC000528034659 330302299 /nfs/dbraw/zinc/30/22/99/330302299.db2.gz AMJOVJXAPUJPDU-GDZNZVCISA-N 0 1 288.366 3.648 20 0 CHADMN CC(C)O[C@@]1(C)C[C@H]1N[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000528005521 330303183 /nfs/dbraw/zinc/30/31/83/330303183.db2.gz JWKZSYUXFJCEGJ-INMHGKMJSA-N 0 1 291.439 3.577 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccncn1)c1cc(C)ccc1C ZINC000528022282 330304790 /nfs/dbraw/zinc/30/47/90/330304790.db2.gz WFELKAVUIJCJIC-HOCLYGCPSA-N 0 1 269.392 3.895 20 0 CHADMN COc1ccc([C@H](N[C@H]2CCCc3occc32)C2CC2)cn1 ZINC000528045425 330306033 /nfs/dbraw/zinc/30/60/33/330306033.db2.gz YSCNNAZWZZTMAC-MAUKXSAKSA-N 0 1 298.386 3.802 20 0 CHADMN C[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc([O-])c1Cl ZINC000328065421 330307590 /nfs/dbraw/zinc/30/75/90/330307590.db2.gz AUMRUPQEKKMPIC-MNOVXSKESA-N 0 1 253.773 3.571 20 0 CHADMN C[C@H]1CC(F)(F)CCN1c1ccnc2cc(F)ccc21 ZINC000528210227 330313399 /nfs/dbraw/zinc/31/33/99/330313399.db2.gz UXXKHYHCXIAAOI-JTQLQIEISA-N 0 1 280.293 3.998 20 0 CHADMN CC(C)c1cccc(CNCc2cncn2C(C)C)c1 ZINC000424177627 330317655 /nfs/dbraw/zinc/31/76/55/330317655.db2.gz PZPGLZXGUWLGDI-UHFFFAOYSA-N 0 1 271.408 3.877 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1cc(CO)ccc1F ZINC000528339876 330319492 /nfs/dbraw/zinc/31/94/92/330319492.db2.gz KAOCFRYXSMXAGN-CYBMUJFWSA-N 0 1 273.351 3.511 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2cc(CO)ccc2F)cc1 ZINC000528347914 330321373 /nfs/dbraw/zinc/32/13/73/330321373.db2.gz ANTNTBLFDCWXMV-AWEZNQCLSA-N 0 1 287.378 3.819 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C)c(Cl)c1 ZINC000532958997 330322882 /nfs/dbraw/zinc/32/28/82/330322882.db2.gz SSIXLRGEHOEGBZ-GFCCVEGCSA-N 0 1 296.842 3.953 20 0 CHADMN CC[C@H](C)CN(C)CC(=O)Nc1cc(Cl)ccc1C ZINC000532965420 330323455 /nfs/dbraw/zinc/32/34/55/330323455.db2.gz XNXSJJAUVQBIOU-NSHDSACASA-N 0 1 282.815 3.565 20 0 CHADMN CC(C)C[C@@H]1CCCCN1Cc1nc(C(C)(C)C)no1 ZINC000533068778 330326478 /nfs/dbraw/zinc/32/64/78/330326478.db2.gz JOZYEWWFKUPWBB-ZDUSSCGKSA-N 0 1 279.428 3.768 20 0 CHADMN COc1ccc(Cl)cc1C(C)(C)NCc1ccn(C)c1 ZINC000424203182 330327111 /nfs/dbraw/zinc/32/71/11/330327111.db2.gz QXPFWGVYANTUHO-UHFFFAOYSA-N 0 1 292.810 3.712 20 0 CHADMN COc1ccc([C@H](C)N[C@H]2CC23CC3)c(Br)c1 ZINC000424320018 330340091 /nfs/dbraw/zinc/34/00/91/330340091.db2.gz IOQJSFKBHRTWIZ-ZANVPECISA-N 0 1 296.208 3.661 20 0 CHADMN Fc1ccc(Br)c2c1CC[C@@H]2N[C@@H]1CC12CC2 ZINC000424332555 330342785 /nfs/dbraw/zinc/34/27/85/330342785.db2.gz WTYQCOFTHKZQNS-NWDGAFQWSA-N 0 1 296.183 3.718 20 0 CHADMN Cc1ccc(C2CC2)c(-c2nc([C@@H](N)CC(C)C)no2)c1 ZINC000424334860 330343285 /nfs/dbraw/zinc/34/32/85/330343285.db2.gz GKUMRKLLMQDJFT-HNNXBMFYSA-N 0 1 285.391 3.968 20 0 CHADMN Cc1cccc2c(-c3nc(C4(N)CCCC4)no3)coc21 ZINC000424336630 330343424 /nfs/dbraw/zinc/34/34/24/330343424.db2.gz JRNUJGSHGMBKLV-UHFFFAOYSA-N 0 1 283.331 3.519 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)s2)[C@@H]1C(=O)[O-] ZINC000424414417 330350582 /nfs/dbraw/zinc/35/05/82/330350582.db2.gz HMTILFHILFLEEV-FZMZJTMJSA-N 0 1 295.448 3.731 20 0 CHADMN C[C@H](C[N@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000424417947 330350826 /nfs/dbraw/zinc/35/08/26/330350826.db2.gz MQXSNVWLGLRMLS-YWPYICTPSA-N 0 1 295.810 3.629 20 0 CHADMN CCCC1CCC(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])CC1 ZINC000424420429 330351006 /nfs/dbraw/zinc/35/10/06/330351006.db2.gz QNDVVKLHLYIDTM-LBDPXKHJSA-N 0 1 281.440 3.778 20 0 CHADMN CC[C@H](C)NC(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000533230574 330354584 /nfs/dbraw/zinc/35/45/84/330354584.db2.gz XSBWIYGMVDEJRK-GJZGRUSLSA-N 0 1 298.430 3.575 20 0 CHADMN CCc1ccc(CN(C)Cc2cccc(O)c2)s1 ZINC000533255700 330354929 /nfs/dbraw/zinc/35/49/29/330354929.db2.gz WETDHMHNFNXIIJ-UHFFFAOYSA-N 0 1 261.390 3.648 20 0 CHADMN CC[C@H]1CCCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000117343132 330364743 /nfs/dbraw/zinc/36/47/43/330364743.db2.gz OUQAHJOPOMHZQT-LBPRGKRZSA-N 0 1 291.420 3.810 20 0 CHADMN CC(C)CSCCCSc1nc(C(C)(C)C)n[nH]1 ZINC000119076356 330370045 /nfs/dbraw/zinc/37/00/45/330370045.db2.gz CRDKIXKYDOQQDR-UHFFFAOYSA-N 0 1 287.498 3.974 20 0 CHADMN CC(C)CSCCCSc1n[nH]c(C(C)(C)C)n1 ZINC000119076356 330370046 /nfs/dbraw/zinc/37/00/46/330370046.db2.gz CRDKIXKYDOQQDR-UHFFFAOYSA-N 0 1 287.498 3.974 20 0 CHADMN CC(C)Oc1ccc(NC(=O)c2c(O)cccc2F)cc1 ZINC000119971743 330381991 /nfs/dbraw/zinc/38/19/91/330381991.db2.gz XDVCSHVZADOGDV-UHFFFAOYSA-N 0 1 289.306 3.571 20 0 CHADMN CC(C)CO[C@@H]1CCN(Cc2ccccc2OC(F)F)C1 ZINC000120016277 330385059 /nfs/dbraw/zinc/38/50/59/330385059.db2.gz HRJCGGIUFATLTG-CQSZACIVSA-N 0 1 299.361 3.535 20 0 CHADMN COc1ccc(C[N@@H+](C)CCC2CCOCC2)c(Cl)c1 ZINC000120424297 330388693 /nfs/dbraw/zinc/38/86/93/330388693.db2.gz KVIDUAMSOOYYAP-UHFFFAOYSA-N 0 1 297.826 3.597 20 0 CHADMN CC[C@H]1CCCC[C@H]1N(C)Cc1csc(NC(C)=O)n1 ZINC000120737770 330390883 /nfs/dbraw/zinc/39/08/83/330390883.db2.gz ZRMBKLANMFVPGZ-GXTWGEPZSA-N 0 1 295.452 3.502 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2CCCc3occc32)s1 ZINC000090402468 330392369 /nfs/dbraw/zinc/39/23/69/330392369.db2.gz COEAVTLYZYMIMO-BXKDBHETSA-N 0 1 262.378 3.773 20 0 CHADMN CC[C@H]1CCCC[C@H]1N(C)Cc1nnc(C(C)C)o1 ZINC000120839981 330392988 /nfs/dbraw/zinc/39/29/88/330392988.db2.gz XEPBANFHJNSLTR-QWHCGFSZSA-N 0 1 265.401 3.594 20 0 CHADMN CCC(CC)[C@@H](NC(=O)Cc1cc(C)n[nH]1)c1ccccc1 ZINC000121021534 330395111 /nfs/dbraw/zinc/39/51/11/330395111.db2.gz NHOVNOMSCFQXID-GOSISDBHSA-N 0 1 299.418 3.554 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(-n3ccnn3)cc2)o1 ZINC000090879267 330396664 /nfs/dbraw/zinc/39/66/64/330396664.db2.gz BXKQXEYHVRBMGP-KBPBESRZSA-N 0 1 296.374 3.581 20 0 CHADMN CC[C@H](CSC)N(C)Cc1ncc(-c2cccs2)o1 ZINC000091097586 330398947 /nfs/dbraw/zinc/39/89/47/330398947.db2.gz FZDXBXATKKOGFU-LLVKDONJSA-N 0 1 296.461 3.977 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1cccc(F)c1F ZINC000091098631 330398950 /nfs/dbraw/zinc/39/89/50/330398950.db2.gz RHSUKALXCUIZCE-NSHDSACASA-N 0 1 259.365 3.538 20 0 CHADMN CCN(CC)Cc1c(Cl)cccc1N1CCCC1 ZINC000537206949 330417398 /nfs/dbraw/zinc/41/73/98/330417398.db2.gz HZCXIPPFXLDMCR-UHFFFAOYSA-N 0 1 266.816 3.782 20 0 CHADMN CCOc1ccccc1CNCc1cscc1C ZINC000094877614 330429627 /nfs/dbraw/zinc/42/96/27/330429627.db2.gz LOVPHBIDPAOFHU-UHFFFAOYSA-N 0 1 261.390 3.745 20 0 CHADMN CCc1ccc(CN[C@H](C)[C@@H](OC)c2ccccc2F)o1 ZINC000537384546 330435409 /nfs/dbraw/zinc/43/54/09/330435409.db2.gz SOOYVDBIMLLJHA-SJKOYZFVSA-N 0 1 291.366 3.847 20 0 CHADMN Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000426742843 330514815 /nfs/dbraw/zinc/51/48/15/330514815.db2.gz LQEYQFQLSZQCCK-ZDUSSCGKSA-N 0 1 295.791 3.625 20 0 CHADMN CCC1(CC)[C@H](NCc2ncc(C(C)(C)C)o2)C[C@@H]1OC ZINC000429290378 330542900 /nfs/dbraw/zinc/54/29/00/330542900.db2.gz ZNNOMJFECZLNRU-OLZOCXBDSA-N 0 1 294.439 3.655 20 0 CHADMN CCO[C@H]1C[C@H](NCc2ncc(C3CC3)o2)C1(CC)CC ZINC000429355393 330544295 /nfs/dbraw/zinc/54/42/95/330544295.db2.gz OZBLDINECXZBBO-GJZGRUSLSA-N 0 1 292.423 3.625 20 0 CHADMN Cc1c([C@H](C)N[C@@H]2CC23CCCC3)nnn1-c1ccccc1 ZINC000429432367 330546520 /nfs/dbraw/zinc/54/65/20/330546520.db2.gz OCWLAGYPEXGECX-XJKSGUPXSA-N 0 1 296.418 3.559 20 0 CHADMN CCCC[C@@H](CC)CN[C@@](C)(c1noc(C)n1)C1CC1 ZINC000433308815 330624811 /nfs/dbraw/zinc/62/48/11/330624811.db2.gz VPGFHXSTQKTUJJ-CZUORRHYSA-N 0 1 279.428 3.809 20 0 CHADMN C[C@@H](NCc1cc2c(cccc2F)[nH]1)c1ccccn1 ZINC000436293548 330674052 /nfs/dbraw/zinc/67/40/52/330674052.db2.gz VLWVBYZIMQHPFW-LLVKDONJSA-N 0 1 269.323 3.553 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C2(CC(C)C)CC2)c1 ZINC000436660901 330682413 /nfs/dbraw/zinc/68/24/13/330682413.db2.gz WLKXIMUCBHYWCJ-UHFFFAOYSA-N 0 1 289.375 3.750 20 0 CHADMN C[C@H]1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1(C)C ZINC000436954400 330689623 /nfs/dbraw/zinc/68/96/23/330689623.db2.gz GJAOOAVJNVTTSX-JTQLQIEISA-N 0 1 281.783 3.554 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1c(O)cccc1F ZINC000436992702 330690582 /nfs/dbraw/zinc/69/05/82/330690582.db2.gz WONOMNMBPHTDOR-DGCLKSJQSA-N 0 1 279.355 3.572 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CCCC2(CCCC2)C1 ZINC000438567114 330727287 /nfs/dbraw/zinc/72/72/87/330727287.db2.gz LNUXHNHVZRACEQ-UHFFFAOYSA-N 0 1 293.794 3.842 20 0 CHADMN CO[C@H]1C[C@H](Nc2ccnc3cc(F)ccc32)C1(C)C ZINC000440209202 330746612 /nfs/dbraw/zinc/74/66/12/330746612.db2.gz BNCNSMNNZCYLTR-GJZGRUSLSA-N 0 1 274.339 3.599 20 0 CHADMN CC[C@H](F)CN[C@H](C)c1cc2cccc(F)c2o1 ZINC000440530554 330750124 /nfs/dbraw/zinc/75/01/24/330750124.db2.gz HUINBLFSDMBUMT-KOLCDFICSA-N 0 1 253.292 3.971 20 0 CHADMN Cc1cccc(NCCc2ccc3[nH]ccc3c2)n1 ZINC000440533447 330750261 /nfs/dbraw/zinc/75/02/61/330750261.db2.gz JEBQEZGCLYZQDV-UHFFFAOYSA-N 0 1 251.333 3.526 20 0 CHADMN CC[C@@H](F)CN1CCC(=Cc2cccc(OC)c2)CC1 ZINC000440777862 330756112 /nfs/dbraw/zinc/75/61/12/330756112.db2.gz IGOFOUQATUQFDD-MRXNPFEDSA-N 0 1 277.383 3.923 20 0 CHADMN CCOc1ccccc1[C@@H](CC)NC[C@@H](F)CC ZINC000440779110 330756139 /nfs/dbraw/zinc/75/61/39/330756139.db2.gz CXKMJGOFPYTBIB-GXTWGEPZSA-N 0 1 253.361 3.874 20 0 CHADMN CC[C@@H](F)CN[C@@H](CC(=O)OC(C)C)c1ccc(C)cc1 ZINC000440786777 330756439 /nfs/dbraw/zinc/75/64/39/330756439.db2.gz TXCCGDZCRWKWSF-CVEARBPZSA-N 0 1 295.398 3.716 20 0 CHADMN CCC[C@@H](N[C@H](CO)c1ccsc1)c1ccsc1 ZINC000443085668 330794098 /nfs/dbraw/zinc/79/40/98/330794098.db2.gz CNZXSSARCKKYCW-ZIAGYGMSSA-N 0 1 281.446 3.974 20 0 CHADMN CC1(C)CCN(Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000445798414 330837079 /nfs/dbraw/zinc/83/70/79/330837079.db2.gz HNNVZEIGHFUWRP-UHFFFAOYSA-N 0 1 287.382 3.633 20 0 CHADMN Cc1cc(-c2noc(-c3ccc(Cl)cc3O)n2)c(C)o1 ZINC000445854847 330840109 /nfs/dbraw/zinc/84/01/09/330840109.db2.gz ABXVJRRUVCWYLP-UHFFFAOYSA-N 0 1 290.706 3.972 20 0 CHADMN Cc1cnc(CN[C@H](CC(F)(F)F)C(C)C)s1 ZINC000445877912 330841015 /nfs/dbraw/zinc/84/10/15/330841015.db2.gz DJZLYWHKQWEDFH-SECBINFHSA-N 0 1 266.332 3.518 20 0 CHADMN CCO[C@@H](CNCc1cc(F)ccc1F)c1ccccc1 ZINC000446832445 330855637 /nfs/dbraw/zinc/85/56/37/330855637.db2.gz OUBIKUUVOOJADE-KRWDZBQOSA-N 0 1 291.341 3.832 20 0 CHADMN C=Cn1cc(CN[C@@H](C)c2ccccc2C(F)(F)F)cn1 ZINC000447822875 330878017 /nfs/dbraw/zinc/87/80/17/330878017.db2.gz SSTRMLLXTAFFJT-NSHDSACASA-N 0 1 295.308 3.853 20 0 CHADMN Fc1cc2c(c(F)c1F)[C@H](NCCOC1CCCC1)CC2 ZINC000449103154 330899214 /nfs/dbraw/zinc/89/92/14/330899214.db2.gz OWEQUFWLMXHHAL-CYBMUJFWSA-N 0 1 299.336 3.640 20 0 CHADMN Cc1cccc(CN[C@@H](c2cccnc2)C2CC2)c1F ZINC000449212360 330906552 /nfs/dbraw/zinc/90/65/52/330906552.db2.gz UPLSHBPFULROKT-QGZVFWFLSA-N 0 1 270.351 3.770 20 0 CHADMN COc1cc(C)ccc1CNC(C)(C)c1ccc(C)nc1 ZINC000449244298 330909281 /nfs/dbraw/zinc/90/92/81/330909281.db2.gz RJLBSRZUESGQPE-UHFFFAOYSA-N 0 1 284.403 3.732 20 0 CHADMN CCCOC1(CNCc2ncc(C)s2)CCCCC1 ZINC000449323926 330914509 /nfs/dbraw/zinc/91/45/09/330914509.db2.gz BSBDCALPKSXWTQ-UHFFFAOYSA-N 0 1 282.453 3.671 20 0 CHADMN Cc1cc(CN2CC3(CC3)C2)cc(C)c1OC(F)F ZINC000449370874 330919618 /nfs/dbraw/zinc/91/96/18/330919618.db2.gz NYWROWLSAUXCFF-UHFFFAOYSA-N 0 1 267.319 3.501 20 0 CHADMN COc1ccc(C[C@H](C)CN[C@H](C)C(C)(F)F)cc1F ZINC000449411250 330923445 /nfs/dbraw/zinc/92/34/45/330923445.db2.gz ARYLOJHPDYQNLL-WDEREUQCSA-N 0 1 289.341 3.646 20 0 CHADMN CC1(C)OCC[C@H]1NCc1csc(Cl)c1Cl ZINC000449415816 330924036 /nfs/dbraw/zinc/92/40/36/330924036.db2.gz QCAUNROINWANBX-MRVPVSSYSA-N 0 1 280.220 3.712 20 0 CHADMN CC[C@@H](CC(C)C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000449469874 330928152 /nfs/dbraw/zinc/92/81/52/330928152.db2.gz VMPFWTOZLURESE-ZFWWWQNUSA-N 0 1 296.480 3.539 20 0 CHADMN C[C@@H](CNCc1nn(C)cc1Cl)c1cccc(Cl)c1 ZINC000449481684 330929402 /nfs/dbraw/zinc/92/94/02/330929402.db2.gz VAKMWUWRXLHBDU-JTQLQIEISA-N 0 1 298.217 3.620 20 0 CHADMN CC(C)(C)c1cnc(CNC[C@H]2CCCC2(F)F)s1 ZINC000449494707 330931149 /nfs/dbraw/zinc/93/11/49/330931149.db2.gz NIZBLSXYWYTQHR-SNVBAGLBSA-N 0 1 288.407 3.966 20 0 CHADMN CCCc1ncc(CNC/C(C)=C\c2ccccc2)o1 ZINC000449614799 330940108 /nfs/dbraw/zinc/94/01/08/330940108.db2.gz WVSCRHCDXADVSJ-UVTDQMKNSA-N 0 1 270.376 3.820 20 0 CHADMN CO[C@@H]([C@H](C)NCc1csc(Cl)c1Cl)C1CC1 ZINC000449634635 330941373 /nfs/dbraw/zinc/94/13/73/330941373.db2.gz WJYPZHYANNJNGA-CPCISQLKSA-N 0 1 294.247 3.958 20 0 CHADMN CC[C@H](O)[C@H](CC)NCc1csc(-c2cccs2)n1 ZINC000449638765 330941463 /nfs/dbraw/zinc/94/14/63/330941463.db2.gz LYPKXTREBVZIDU-RYUDHWBXSA-N 0 1 296.461 3.511 20 0 CHADMN CCc1ccc(CN[C@H]2CCCN(C)c3ccccc32)o1 ZINC000449652790 330942126 /nfs/dbraw/zinc/94/21/26/330942126.db2.gz QMMNHXUHSHZHKE-KRWDZBQOSA-N 0 1 284.403 3.903 20 0 CHADMN CC(C)c1cnc(CNCC(C)(C)C2(O)CCCC2)s1 ZINC000449742352 330947662 /nfs/dbraw/zinc/94/76/62/330947662.db2.gz ZBZXRXWHDSNSAL-UHFFFAOYSA-N 0 1 296.480 3.687 20 0 CHADMN CCO[C@@H]1CCCC[C@H]1NCc1csc(C(C)(C)C)n1 ZINC000449758339 330948280 /nfs/dbraw/zinc/94/82/80/330948280.db2.gz GBAZFVLRVJSFBR-ZIAGYGMSSA-N 0 1 296.480 3.878 20 0 CHADMN CC(C)CC[C@@H]1CCC[C@H]1N[C@H](C)c1csnn1 ZINC000450821183 331001142 /nfs/dbraw/zinc/00/11/42/331001142.db2.gz QZTPPERUYLITTA-FRRDWIJNSA-N 0 1 267.442 3.794 20 0 CHADMN FC1(F)CCCC[C@@H]1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000450975707 331009528 /nfs/dbraw/zinc/00/95/28/331009528.db2.gz BANFWKADSCECEW-TZMCWYRMSA-N 0 1 283.366 3.762 20 0 CHADMN CC(C)c1noc(CN2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)n1 ZINC000451192450 331019751 /nfs/dbraw/zinc/01/97/51/331019751.db2.gz WCODJIVGNBYIBO-FMKPAKJESA-N 0 1 299.418 3.960 20 0 CHADMN CCS[C@@H](C)c1noc(CNC2(CC)CCCC2)n1 ZINC000451275324 331022803 /nfs/dbraw/zinc/02/28/03/331022803.db2.gz MDWBQFJSVBZCAA-NSHDSACASA-N 0 1 283.441 3.696 20 0 CHADMN CCC1(NCc2nc(Cc3ccccc3C)no2)CCCC1 ZINC000451279541 331023005 /nfs/dbraw/zinc/02/30/05/331023005.db2.gz XQVNGHRXWRFCBE-UHFFFAOYSA-N 0 1 299.418 3.781 20 0 CHADMN CCO[C@@H]1CCN([C@@H](C)c2nc3ccccc3o2)C[C@@H]1C ZINC000451522451 331032445 /nfs/dbraw/zinc/03/24/45/331032445.db2.gz BFBDDXGLEFTCGF-KCQAQPDRSA-N 0 1 288.391 3.636 20 0 CHADMN CCO[C@@H]1CCN(Cc2ccc(Cl)c(OC)c2)C[C@H]1C ZINC000451523122 331032493 /nfs/dbraw/zinc/03/24/93/331032493.db2.gz CKENMJCGOWRMKT-IUODEOHRSA-N 0 1 297.826 3.596 20 0 CHADMN CCO[C@@H]1CCN([C@@H](C)c2nc3ccccc3o2)C[C@H]1C ZINC000451522455 331032542 /nfs/dbraw/zinc/03/25/42/331032542.db2.gz BFBDDXGLEFTCGF-VNHYZAJKSA-N 0 1 288.391 3.636 20 0 CHADMN CCO[C@@H]1CCN([C@H](C)c2c(F)cccc2F)C[C@H]1C ZINC000451542624 331033267 /nfs/dbraw/zinc/03/32/67/331033267.db2.gz NUFIDVLWIVAEMJ-LALPHHSUSA-N 0 1 283.362 3.773 20 0 CHADMN CC(C)CC[C@@H](O)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451843128 331044443 /nfs/dbraw/zinc/04/44/43/331044443.db2.gz FZOAJCNYVAGMPB-ZBFHGGJFSA-N 0 1 277.408 3.604 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC[C@@]2(CCOC2)C1 ZINC000451895010 331046631 /nfs/dbraw/zinc/04/66/31/331046631.db2.gz DGROQKGDEZDZQS-MLGOLLRUSA-N 0 1 281.346 3.528 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCC[C@]2(CCOC2)C1 ZINC000451903076 331046796 /nfs/dbraw/zinc/04/67/96/331046796.db2.gz PBIMFQSOMORXAM-LRDDRELGSA-N 0 1 281.346 3.528 20 0 CHADMN CC[C@H](F)CN[C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451919284 331047353 /nfs/dbraw/zinc/04/73/53/331047353.db2.gz ZVBPSQUQPCDQBO-QWHCGFSZSA-N 0 1 294.197 3.539 20 0 CHADMN C[C@@H]1CC[C@@H](CN2CCC[C@H]2c2ccc(F)cc2F)O1 ZINC000451968779 331048951 /nfs/dbraw/zinc/04/89/51/331048951.db2.gz JKTHCEGZWNJCGJ-FFSVYQOJSA-N 0 1 281.346 3.669 20 0 CHADMN CC(C)OCCN1CCC[C@H]1c1ccc(F)cc1F ZINC000451978012 331049171 /nfs/dbraw/zinc/04/91/71/331049171.db2.gz NZPWUOOXXPBVCR-HNNXBMFYSA-N 0 1 269.335 3.527 20 0 CHADMN C[C@H]1CCC(C)(C)N1Cc1nc(-c2cccs2)no1 ZINC000452004658 331050041 /nfs/dbraw/zinc/05/00/41/331050041.db2.gz KMNPXGNGRDLTNT-JTQLQIEISA-N 0 1 277.393 3.561 20 0 CHADMN C[C@@H]1CCC(C)(C)N1Cc1csc(N(C)C2CC2)n1 ZINC000452002168 331050083 /nfs/dbraw/zinc/05/00/83/331050083.db2.gz DOAITQHVRNCCHC-LLVKDONJSA-N 0 1 279.453 3.505 20 0 CHADMN COC[C@@H]1CCCN([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000452073370 331053011 /nfs/dbraw/zinc/05/30/11/331053011.db2.gz AXYVCIREQDGSHO-UONOGXRCSA-N 0 1 294.439 3.782 20 0 CHADMN CC(C)C[C@@]1(C)CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000452514582 331067117 /nfs/dbraw/zinc/06/71/17/331067117.db2.gz SSQDEAFABDSNFG-QGZVFWFLSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1ccc(NC(=O)c2c(O)cccc2F)c(Cl)c1 ZINC000163680709 331069579 /nfs/dbraw/zinc/06/95/79/331069579.db2.gz FMPFLMYFUXFTRZ-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1c(C)nn(C)c1C ZINC000194876387 331069774 /nfs/dbraw/zinc/06/97/74/331069774.db2.gz LJVZYPDNVCJETC-NSHDSACASA-N 0 1 289.448 3.610 20 0 CHADMN CCC[C@]1(COC)CCCN1Cc1csc(C2CC2)n1 ZINC000194927119 331078620 /nfs/dbraw/zinc/07/86/20/331078620.db2.gz XHBNTIWRQSMFOY-MRXNPFEDSA-N 0 1 294.464 3.802 20 0 CHADMN CC(C)C(=O)c1ccc(NC(=O)c2cn[nH]c2C(C)C)cc1 ZINC000452929556 331081035 /nfs/dbraw/zinc/08/10/35/331081035.db2.gz CQBJQCMMLQBUGR-UHFFFAOYSA-N 0 1 299.374 3.624 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H](C)c1cc(C)ccc1C ZINC000453052204 331084917 /nfs/dbraw/zinc/08/49/17/331084917.db2.gz BZRIMLFVLIDQJS-LSDHHAIUSA-N 0 1 271.408 3.932 20 0 CHADMN COc1ccc([C@@H](N[C@H](C)c2ccncn2)C(C)C)cc1 ZINC000453082066 331087380 /nfs/dbraw/zinc/08/73/80/331087380.db2.gz KSMDROAQFWEPQI-DYVFJYSZSA-N 0 1 285.391 3.533 20 0 CHADMN CC(C)C[C@H](N[C@@H]1CCn2ccnc21)c1cccs1 ZINC000453095366 331088719 /nfs/dbraw/zinc/08/87/19/331088719.db2.gz UIVISFUSIXKGQL-OLZOCXBDSA-N 0 1 275.421 3.766 20 0 CHADMN COc1ncccc1CN[C@H]1CC[C@@H](C)c2ccsc21 ZINC000453101876 331089149 /nfs/dbraw/zinc/08/91/49/331089149.db2.gz ZLADJIUEPVDQTO-RISCZKNCSA-N 0 1 288.416 3.880 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccncn1)c1ccc(Cl)s1 ZINC000453132643 331092581 /nfs/dbraw/zinc/09/25/81/331092581.db2.gz WNCZNNHGMBJJDK-VHSXEESVSA-N 0 1 281.812 3.993 20 0 CHADMN C[C@H](Cc1cnccn1)N[C@H](C)c1c(F)cccc1Cl ZINC000453151631 331094719 /nfs/dbraw/zinc/09/47/19/331094719.db2.gz NOWQJMSGCWMRAJ-GHMZBOCLSA-N 0 1 293.773 3.551 20 0 CHADMN Cc1cccc(C)c1[C@@H](C)N[C@@H](C)c1ccncn1 ZINC000453199407 331100538 /nfs/dbraw/zinc/10/05/38/331100538.db2.gz PSDVKHYFQFDQBF-UONOGXRCSA-N 0 1 255.365 3.505 20 0 CHADMN CC[C@H](N[C@H]1CCCc2c(F)cccc21)c1nccn1C ZINC000453241769 331106203 /nfs/dbraw/zinc/10/62/03/331106203.db2.gz WDTWLJIKEBFCFX-HOTGVXAUSA-N 0 1 287.382 3.678 20 0 CHADMN CC1(F)CC(N[C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000453241937 331106331 /nfs/dbraw/zinc/10/63/31/331106331.db2.gz UVORBEYKKNDXRV-CGZBRXJRSA-N 0 1 288.341 3.790 20 0 CHADMN CCC[C@H](CN[C@H](C)c1csc(C(C)C)n1)OC ZINC000453252858 331107811 /nfs/dbraw/zinc/10/78/11/331107811.db2.gz OLRDOFIBIPRUIM-VXGBXAGGSA-N 0 1 270.442 3.732 20 0 CHADMN CC[C@H](C)[C@H](CN[C@@H](C)c1csc(C(C)C)n1)OC ZINC000453267898 331109419 /nfs/dbraw/zinc/10/94/19/331109419.db2.gz NNFLJFPGHUDGQJ-OBJOEFQTSA-N 0 1 284.469 3.978 20 0 CHADMN CC[C@@](C)(CN[C@@H](C)c1csc(C(C)C)n1)OC ZINC000453291908 331111899 /nfs/dbraw/zinc/11/18/99/331111899.db2.gz CBEVQTJADZMUNE-FZMZJTMJSA-N 0 1 270.442 3.732 20 0 CHADMN C[C@@H](N[C@@H](C)C(C)(F)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000453283911 331110876 /nfs/dbraw/zinc/11/08/76/331110876.db2.gz ITURVLCMUGAKRY-XWUBHJNHSA-N 0 1 253.336 3.812 20 0 CHADMN CC[C@@](C)(CN[C@H](C)c1csc(C(C)C)n1)OC ZINC000453291909 331111904 /nfs/dbraw/zinc/11/19/04/331111904.db2.gz CBEVQTJADZMUNE-RISCZKNCSA-N 0 1 270.442 3.732 20 0 CHADMN COc1ccc(Cl)cc1[C@H](C)NCc1ccnc(C)c1 ZINC000453295864 331112422 /nfs/dbraw/zinc/11/24/22/331112422.db2.gz SGUWGGZALOATJJ-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CC[C@](C)(CN[C@@H](C)c1nc(C(F)(F)F)cs1)OC ZINC000453308091 331114200 /nfs/dbraw/zinc/11/42/00/331114200.db2.gz VLHRONFWFVREGM-GZMMTYOYSA-N 0 1 296.358 3.628 20 0 CHADMN CC/C=C\CN[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000453310857 331114778 /nfs/dbraw/zinc/11/47/78/331114778.db2.gz GGRPXXYKJVDTQR-GZTOBOFZSA-N 0 1 277.799 3.844 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1cc(C)cs1 ZINC000453322038 331116456 /nfs/dbraw/zinc/11/64/56/331116456.db2.gz QIZWLXFYQFLYOB-GFCCVEGCSA-N 0 1 260.406 3.865 20 0 CHADMN CC[C@H](NCc1cnc(C2CC2)o1)c1cccs1 ZINC000453344270 331119587 /nfs/dbraw/zinc/11/95/87/331119587.db2.gz GYCQUSUMMDWKKP-LBPRGKRZSA-N 0 1 262.378 3.854 20 0 CHADMN COc1ccsc1[C@H](C)NCc1cnc(C)cc1C ZINC000453345725 331119856 /nfs/dbraw/zinc/11/98/56/331119856.db2.gz FMWGOEPHSAKSFK-LBPRGKRZSA-N 0 1 276.405 3.619 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H](C)c1cc2c(s1)CCC2 ZINC000453347561 331120159 /nfs/dbraw/zinc/12/01/59/331120159.db2.gz KRKUCANSEIFVTM-NEPJUHHUSA-N 0 1 289.448 3.865 20 0 CHADMN C[C@@H](NCc1cnc(C2CC2)o1)c1ccc2c(c1)CCC2 ZINC000453348989 331120205 /nfs/dbraw/zinc/12/02/05/331120205.db2.gz IYNRRCBAOPUQFH-GFCCVEGCSA-N 0 1 282.387 3.892 20 0 CHADMN COc1cccnc1CN[C@H](CC(C)C)c1ccccc1 ZINC000453350706 331120679 /nfs/dbraw/zinc/12/06/79/331120679.db2.gz DQMAYECMSIVYBK-MRXNPFEDSA-N 0 1 284.403 3.967 20 0 CHADMN C[C@H]1C[C@@H](NCc2cnc(C3CC3)o2)c2ccccc21 ZINC000453357710 331121933 /nfs/dbraw/zinc/12/19/33/331121933.db2.gz NNFGZVVXMBYNAU-MEDUHNTESA-N 0 1 268.360 3.890 20 0 CHADMN C[C@H]1C[C@H](NCc2cnc(C3CC3)o2)c2ccccc21 ZINC000453357712 331121940 /nfs/dbraw/zinc/12/19/40/331121940.db2.gz NNFGZVVXMBYNAU-ZBEGNZNMSA-N 0 1 268.360 3.890 20 0 CHADMN COc1cccnc1CN[C@@H]1CCC(C)(C)c2ccccc21 ZINC000453360586 331122351 /nfs/dbraw/zinc/12/23/51/331122351.db2.gz KJECLFQFHVMYGC-MRXNPFEDSA-N 0 1 296.414 3.993 20 0 CHADMN Cc1cc(C)c(CN[C@@H](c2ccc(F)cn2)C(C)C)cn1 ZINC000453368483 331123671 /nfs/dbraw/zinc/12/36/71/331123671.db2.gz QNKNUGCKCFDTBK-QGZVFWFLSA-N 0 1 287.382 3.719 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1cnc(C3CC3)o1)CCC2 ZINC000453370528 331123945 /nfs/dbraw/zinc/12/39/45/331123945.db2.gz UEXZBJBIQLXNNB-KRWDZBQOSA-N 0 1 298.386 3.728 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1cnc(C)cc1C ZINC000453383553 331126285 /nfs/dbraw/zinc/12/62/85/331126285.db2.gz ZBKILNJCQTYJAT-AWEZNQCLSA-N 0 1 269.392 3.507 20 0 CHADMN CCc1ncc(CN[C@H](C)c2cccc(C3CC3)c2)o1 ZINC000453387319 331126751 /nfs/dbraw/zinc/12/67/51/331126751.db2.gz OSIILCRDMSARSO-GFCCVEGCSA-N 0 1 270.376 3.965 20 0 CHADMN CCCc1ncc(CN[C@H](C)c2ccc3c(c2)CCC3)o1 ZINC000453396306 331128006 /nfs/dbraw/zinc/12/80/06/331128006.db2.gz UXPKLKFBFKJFFZ-CYBMUJFWSA-N 0 1 284.403 3.967 20 0 CHADMN CCCc1ncc(CN[C@@H]2CCCc3sccc32)o1 ZINC000453398470 331128361 /nfs/dbraw/zinc/12/83/61/331128361.db2.gz WXABFLQOCGYLAA-CYBMUJFWSA-N 0 1 276.405 3.856 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCO[C@@H](c3cccs3)C2)no1 ZINC000453440247 331131862 /nfs/dbraw/zinc/13/18/62/331131862.db2.gz WMYSDNOCPNQZJA-YRGRVCCFSA-N 0 1 292.404 3.615 20 0 CHADMN CC(C)n1cc(CN2Cc3sccc3CC2(C)C)cn1 ZINC000453615669 331136704 /nfs/dbraw/zinc/13/67/04/331136704.db2.gz FMQNCCNGSPXTQG-UHFFFAOYSA-N 0 1 289.448 3.862 20 0 CHADMN CCOC[C@@H]1CCC[C@@H]1Nc1ccc2cnccc2c1 ZINC000453623255 331136977 /nfs/dbraw/zinc/13/69/77/331136977.db2.gz WQDIBMBJSRRMOL-RDJZCZTQSA-N 0 1 270.376 3.852 20 0 CHADMN COC(=O)C[C@@H]1CC[C@@H](Nc2ccc3cnccc3c2)[C@H]1C ZINC000453625888 331137134 /nfs/dbraw/zinc/13/71/34/331137134.db2.gz ZQRAVTIUEAYJME-GDZNZVCISA-N 0 1 298.386 3.625 20 0 CHADMN C[C@@H]1CC[C@H](CNCc2csc(Cl)c2Cl)O1 ZINC000453633264 331137294 /nfs/dbraw/zinc/13/72/94/331137294.db2.gz RHAPARVGGZOXCF-VXNVDRBHSA-N 0 1 280.220 3.712 20 0 CHADMN C[C@@H]1CC[C@H](CNCc2ccc(Oc3ccccc3)o2)O1 ZINC000453638193 331137458 /nfs/dbraw/zinc/13/74/58/331137458.db2.gz ZRTWUWPHUCISBA-UKRRQHHQSA-N 0 1 287.359 3.729 20 0 CHADMN C[C@H](NCc1nc(Cc2ccccc2)no1)C1CCCCC1 ZINC000195253622 331162483 /nfs/dbraw/zinc/16/24/83/331162483.db2.gz PICIDAHEPRNYGL-AWEZNQCLSA-N 0 1 299.418 3.719 20 0 CHADMN Cc1ccc(F)cc1CN[C@@H](C)c1cccc(O)c1 ZINC000195454381 331173884 /nfs/dbraw/zinc/17/38/84/331173884.db2.gz JQDVPJDUVVJWKE-LBPRGKRZSA-N 0 1 259.324 3.691 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@H](C(C)C)[C@@H]1C(C)C ZINC000456326417 331190131 /nfs/dbraw/zinc/19/01/31/331190131.db2.gz ISVWEPXXLJMPBR-CJNGLKHVSA-N 0 1 291.439 3.594 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)[nH]1 ZINC000456352096 331190594 /nfs/dbraw/zinc/19/05/94/331190594.db2.gz UQHJPYAYWWMMPJ-YOEHRIQHSA-N 0 1 299.418 3.624 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000457000766 331209928 /nfs/dbraw/zinc/20/99/28/331209928.db2.gz LMGKPPLFMXUFSJ-SGMGOOAPSA-N 0 1 291.439 3.786 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C1CC(C(C)(C)C)C1 ZINC000457739433 331232891 /nfs/dbraw/zinc/23/28/91/331232891.db2.gz GOWIGCFNKDVUJQ-UHFFFAOYSA-N 0 1 285.391 3.882 20 0 CHADMN C[C@H](CC(F)(F)F)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000457833580 331235874 /nfs/dbraw/zinc/23/58/74/331235874.db2.gz ZQTXHPAYSGOCCW-RXMQYKEDSA-N 0 1 299.651 3.712 20 0 CHADMN CCCC[C@@H](CC)CC(=O)NCc1ccc2cncn2c1 ZINC000457974309 331238424 /nfs/dbraw/zinc/23/84/24/331238424.db2.gz KQDFDLGULVMPCK-CQSZACIVSA-N 0 1 287.407 3.557 20 0 CHADMN CC1(C)CCCC[C@@H]1CC(=O)NCc1ccc2cncn2c1 ZINC000457975841 331238437 /nfs/dbraw/zinc/23/84/37/331238437.db2.gz NLQPRHAXFQRYJM-OAHLLOKOSA-N 0 1 299.418 3.557 20 0 CHADMN CCc1ccc(CN(C)Cc2cnc(C3CC3)nc2)cc1 ZINC000459280159 331274343 /nfs/dbraw/zinc/27/43/43/331274343.db2.gz AURPIRIAUDXOCI-UHFFFAOYSA-N 0 1 281.403 3.548 20 0 CHADMN CCOc1cc(CN2CC[C@@H]2c2ccccc2)ccc1O ZINC000459280568 331274430 /nfs/dbraw/zinc/27/44/30/331274430.db2.gz NNMAPJPXKYKNGX-MRXNPFEDSA-N 0 1 283.371 3.738 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cnc(C3CC3)nc2)cc1 ZINC000459309966 331275664 /nfs/dbraw/zinc/27/56/64/331275664.db2.gz LUALCILIDOIRSV-ZDUSSCGKSA-N 0 1 297.402 3.556 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@H]2C[C@H](C)O)c(Cl)c1 ZINC000459348930 331277477 /nfs/dbraw/zinc/27/74/77/331277477.db2.gz RHJCGCRJPWUNAT-RYUDHWBXSA-N 0 1 285.790 3.523 20 0 CHADMN COCc1cc(CN2CCC[C@@H]2CCC2CCCC2)no1 ZINC000459366187 331278416 /nfs/dbraw/zinc/27/84/16/331278416.db2.gz UDZPQGSNJWFPTF-MRXNPFEDSA-N 0 1 292.423 3.756 20 0 CHADMN CCc1noc(CC)c1CNCc1ccc(C2CC2)cc1 ZINC000459435803 331281259 /nfs/dbraw/zinc/28/12/59/331281259.db2.gz PIMUAVHJRZLNJE-UHFFFAOYSA-N 0 1 284.403 3.967 20 0 CHADMN Cc1cc(CNCCCCc2ccc(Cl)s2)no1 ZINC000459515929 331285574 /nfs/dbraw/zinc/28/55/74/331285574.db2.gz DDDRJCXVOSHHIE-UHFFFAOYSA-N 0 1 284.812 3.810 20 0 CHADMN CC(C)OC1CC(N2CC3(CCC3)[C@@H]2c2ccco2)C1 ZINC000459517174 331285642 /nfs/dbraw/zinc/28/56/42/331285642.db2.gz QNKJTXRNYKAIQM-XUJLQICISA-N 0 1 275.392 3.763 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@@](C)(O)CC2)c(Cl)c1 ZINC000459523495 331285889 /nfs/dbraw/zinc/28/58/89/331285889.db2.gz JGAPQCSPBZNSFK-OAHLLOKOSA-N 0 1 285.790 3.524 20 0 CHADMN Cc1cc(CN[C@H]2CC[C@@H](c3ccccc3F)C2)no1 ZINC000459524335 331285893 /nfs/dbraw/zinc/28/58/93/331285893.db2.gz ZNHORLVLCRKHIH-OLZOCXBDSA-N 0 1 274.339 3.548 20 0 CHADMN CC1CN(Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459537300 331286417 /nfs/dbraw/zinc/28/64/17/331286417.db2.gz XNTPZLSZOBDSIU-UHFFFAOYSA-N 0 1 296.418 3.512 20 0 CHADMN FC(F)CN[C@H]1CCC[C@@H]1CCc1ccccc1 ZINC000459552499 331287440 /nfs/dbraw/zinc/28/74/40/331287440.db2.gz ZMUTVNAZLPKLOE-KGLIPLIRSA-N 0 1 253.336 3.643 20 0 CHADMN CCOc1cc(CN2CCC[C@@H]2c2cccnc2)ccc1O ZINC000459558032 331287773 /nfs/dbraw/zinc/28/77/73/331287773.db2.gz KRELWXYYTPRBNB-MRXNPFEDSA-N 0 1 298.386 3.523 20 0 CHADMN Cc1cccc(CN(C)Cc2cnc(C3CC3)nc2)c1C ZINC000459560224 331287826 /nfs/dbraw/zinc/28/78/26/331287826.db2.gz PVSGMKMHKUQWSS-UHFFFAOYSA-N 0 1 281.403 3.603 20 0 CHADMN Cc1cc(CNC2(Cc3cccc(Cl)c3)CC2)no1 ZINC000459577444 331289063 /nfs/dbraw/zinc/28/90/63/331289063.db2.gz VZFFPINAYFGIFR-UHFFFAOYSA-N 0 1 276.767 3.501 20 0 CHADMN CC(C)(C)n1cc(CN2CC(C3CCCCC3)C2)cn1 ZINC000459592589 331289718 /nfs/dbraw/zinc/28/97/18/331289718.db2.gz MXAUWYCQDIWRFZ-UHFFFAOYSA-N 0 1 275.440 3.650 20 0 CHADMN c1onc(Cc2ccccc2)c1CN1CC(C2CCCC2)C1 ZINC000459621533 331290904 /nfs/dbraw/zinc/29/09/04/331290904.db2.gz WZBLROUZWZZVPU-UHFFFAOYSA-N 0 1 296.414 3.887 20 0 CHADMN Cc1ccc(-c2ccc(CN3CC(C)(CO)C3)s2)cc1 ZINC000459624464 331291006 /nfs/dbraw/zinc/29/10/06/331291006.db2.gz VEFVYKFZAVICNX-UHFFFAOYSA-N 0 1 287.428 3.538 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)NCc1ccccc1N(C)C ZINC000459670036 331293397 /nfs/dbraw/zinc/29/33/97/331293397.db2.gz TXWQGHHZBBSNRB-OAHLLOKOSA-N 0 1 298.430 3.920 20 0 CHADMN CCOC[C@@H]1CCCCN1Cc1cnc(CC(C)C)s1 ZINC000459676276 331293693 /nfs/dbraw/zinc/29/36/93/331293693.db2.gz NKUBVPBQZZZEGR-AWEZNQCLSA-N 0 1 296.480 3.733 20 0 CHADMN CCCc1csc(CN(C)C2CC(C)(C)C2)n1 ZINC000459733201 331296736 /nfs/dbraw/zinc/29/67/36/331296736.db2.gz NFKTUOXRVVMIFZ-UHFFFAOYSA-N 0 1 252.427 3.716 20 0 CHADMN CCCc1csc(CN[C@@H]2C[C@H]2c2ccccc2F)n1 ZINC000459739772 331297273 /nfs/dbraw/zinc/29/72/73/331297273.db2.gz ZFYYGXZJDMNQDU-DZGCQCFKSA-N 0 1 290.407 3.880 20 0 CHADMN Cc1csc(CN[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)n1 ZINC000459755114 331298708 /nfs/dbraw/zinc/29/87/08/331298708.db2.gz NPFXODQUFFHRLK-NWDGAFQWSA-N 0 1 282.453 3.523 20 0 CHADMN CSC[C@H](C)N[C@@H](c1ccccc1)c1ccccn1 ZINC000166083925 331306723 /nfs/dbraw/zinc/30/67/23/331306723.db2.gz ISUHDQIIERPDQC-BBRMVZONSA-N 0 1 272.417 3.512 20 0 CHADMN Cc1cc(CNCc2ccoc2)sc1Br ZINC000166669984 331307599 /nfs/dbraw/zinc/30/75/99/331307599.db2.gz GRUHFRAKHXITLI-UHFFFAOYSA-N 0 1 286.194 3.702 20 0 CHADMN CC(C)C[C@@H]1COCCN1Cc1ccc(C(F)F)cc1 ZINC000461393769 331312869 /nfs/dbraw/zinc/31/28/69/331312869.db2.gz YRCFTBINUDLIND-OAHLLOKOSA-N 0 1 283.362 3.871 20 0 CHADMN CC(C)N(Cc1cccc(Cl)c1Cl)[C@@H]1CCOC1 ZINC000462869048 331333246 /nfs/dbraw/zinc/33/32/46/331333246.db2.gz DNHIHPFXSLQJNP-GFCCVEGCSA-N 0 1 288.218 3.993 20 0 CHADMN CCCCOc1ccc(C[N@@H+](C(C)C)[C@@H]2CCOC2)cc1 ZINC000462879529 331333808 /nfs/dbraw/zinc/33/38/08/331333808.db2.gz XVCBLGFRPCXESO-QGZVFWFLSA-N 0 1 291.435 3.865 20 0 CHADMN CC(C)c1cccc(CNCc2cn(C)nc2C(F)F)c1 ZINC000462905684 331334501 /nfs/dbraw/zinc/33/45/01/331334501.db2.gz JEJJIUKBXAHNNI-UHFFFAOYSA-N 0 1 293.361 3.771 20 0 CHADMN CCOC[C@@H]1CCC[C@H]1Nc1cc2c(cn1)CCCC2 ZINC000462942926 331335478 /nfs/dbraw/zinc/33/54/78/331335478.db2.gz CUDQYCQJIIKKKD-JKSUJKDBSA-N 0 1 274.408 3.578 20 0 CHADMN FCC[C@H]1CCC[C@H]1Nc1cc2c(cn1)CCCC2 ZINC000462961586 331336070 /nfs/dbraw/zinc/33/60/70/331336070.db2.gz FVDUBIPCSYNTGV-IUODEOHRSA-N 0 1 262.372 3.901 20 0 CHADMN CC(C)O[C@@H]1C[C@H](NCc2c(F)cccc2F)C1(C)C ZINC000463025829 331337379 /nfs/dbraw/zinc/33/73/79/331337379.db2.gz SOIANRJQMLGXHL-LSDHHAIUSA-N 0 1 283.362 3.647 20 0 CHADMN CCCCN1C(=O)N=NC1SCCC(C)(C)CC ZINC000463046601 331338491 /nfs/dbraw/zinc/33/84/91/331338491.db2.gz AGFIDWNUDQUBNO-UHFFFAOYSA-N 0 1 271.430 3.702 20 0 CHADMN CN(Cc1cc(C(C)(C)C)n[nH]1)[C@@H]1C[C@H]1c1ccccc1 ZINC000463195384 331341943 /nfs/dbraw/zinc/34/19/43/331341943.db2.gz WXBLLIOWOUBWRU-JKSUJKDBSA-N 0 1 283.419 3.695 20 0 CHADMN Cc1cc(N[C@H](C)CC(F)(F)F)c2cc(F)ccc2n1 ZINC000463747414 331351607 /nfs/dbraw/zinc/35/16/07/331351607.db2.gz BRGFWOAHOYWYDN-SECBINFHSA-N 0 1 286.272 3.857 20 0 CHADMN O=C(NCCCCC1CCCC1)c1n[nH]c2ccccc21 ZINC000464565919 331362759 /nfs/dbraw/zinc/36/27/59/331362759.db2.gz DEAUDWHUQGLGRE-UHFFFAOYSA-N 0 1 285.391 3.653 20 0 CHADMN CC[C@]1(C)CCCN([C@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000464782698 331368098 /nfs/dbraw/zinc/36/80/98/331368098.db2.gz ZNUATSRGOIZGIG-CXAGYDPISA-N 0 1 292.398 3.665 20 0 CHADMN CCc1ccc(-c2noc(CN3CCC(C)(C)C3)n2)cc1 ZINC000464792081 331368589 /nfs/dbraw/zinc/36/85/89/331368589.db2.gz HVMQYWVDHZVLCM-UHFFFAOYSA-N 0 1 285.391 3.531 20 0 CHADMN C[C@H]1CN(CC(=O)Nc2ccccc2C(C)(C)C)C[C@H]1C ZINC000464831891 331370199 /nfs/dbraw/zinc/37/01/99/331370199.db2.gz ODYFEFDEALANAQ-OKILXGFUSA-N 0 1 288.435 3.510 20 0 CHADMN Cc1ccc(CCN2CCOC[C@H]2c2ccccc2)cc1 ZINC000464840795 331370658 /nfs/dbraw/zinc/37/06/58/331370658.db2.gz AOAWGLGOBMOSGN-IBGZPJMESA-N 0 1 281.399 3.611 20 0 CHADMN CC(C)CCc1nc(CN2C[C@H](C)[C@@H](C)C2)cs1 ZINC000464846125 331371021 /nfs/dbraw/zinc/37/10/21/331371021.db2.gz QTHSOBVZWVORBA-STQMWFEESA-N 0 1 266.454 3.820 20 0 CHADMN Fc1ccccc1C=C1CCN(CCc2ccccn2)CC1 ZINC000464883320 331372626 /nfs/dbraw/zinc/37/26/26/331372626.db2.gz CGPDSZXHOUKMLR-UHFFFAOYSA-N 0 1 296.389 3.943 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)CC[C@@H]3C)n[nH]2)cc1 ZINC000464948874 331374309 /nfs/dbraw/zinc/37/43/09/331374309.db2.gz BNBMVURSKMVODX-KBPBESRZSA-N 0 1 297.402 3.646 20 0 CHADMN Cc1ccc2nc(CNC(=O)CCC3CCCCC3)[nH]c2c1 ZINC000465194735 331380292 /nfs/dbraw/zinc/38/02/92/331380292.db2.gz LWKRHKHCEGCSFY-UHFFFAOYSA-N 0 1 299.418 3.848 20 0 CHADMN CC/C=C/CCN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000466215418 331391039 /nfs/dbraw/zinc/39/10/39/331391039.db2.gz DLTIJHDFGGKYDI-WHLIDYPQSA-N 0 1 271.404 3.517 20 0 CHADMN CCC[C@@H]1CCCN(Cc2ccsc2C(=O)OC)C1 ZINC000466471722 331397878 /nfs/dbraw/zinc/39/78/78/331397878.db2.gz DHTOFZHSAQMOMN-GFCCVEGCSA-N 0 1 281.421 3.547 20 0 CHADMN CCC[C@H]1CCCN(CC(=O)Nc2ccc(C)cc2C)C1 ZINC000466487830 331398392 /nfs/dbraw/zinc/39/83/92/331398392.db2.gz FSRMFSSMXHWLMK-INIZCTEOSA-N 0 1 288.435 3.754 20 0 CHADMN CC/C=C\CCN[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000467194001 331412103 /nfs/dbraw/zinc/41/21/03/331412103.db2.gz IGPXIRCPTXXQRP-RXNFCKPNSA-N 0 1 289.354 3.883 20 0 CHADMN Cc1cscc1NS(=O)(=O)c1ccccc1C(C)C ZINC000468386365 331433383 /nfs/dbraw/zinc/43/33/83/331433383.db2.gz YZSNZOFXFLATFC-UHFFFAOYSA-N 0 1 295.429 3.981 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H](C)CCc2ccc(F)cc2)o1 ZINC000468514422 331436352 /nfs/dbraw/zinc/43/63/52/331436352.db2.gz IIVNXEZXCWUCAD-AAEUAGOBSA-N 0 1 276.355 3.794 20 0 CHADMN OC[C@@H](NC/C=C\c1ccc(Cl)cc1)c1ccsc1 ZINC000469794812 331459988 /nfs/dbraw/zinc/45/99/88/331459988.db2.gz VVUGFSHFEFVLOI-DJYNDVHFSA-N 0 1 293.819 3.738 20 0 CHADMN CCn1nc(CNC/C=C/c2ccccc2)c2ccccc21 ZINC000472064921 331528046 /nfs/dbraw/zinc/52/80/46/331528046.db2.gz ULAYDQLERRIDAW-DHZHZOJOSA-N 0 1 291.398 3.859 20 0 CHADMN CC(C)(C)CC[C@H](CO)NCc1csc(C(C)(C)C)n1 ZINC000475678081 331641825 /nfs/dbraw/zinc/64/18/25/331641825.db2.gz ICOCMPHOABPPIR-GFCCVEGCSA-N 0 1 298.496 3.717 20 0 CHADMN [O-]c1ccc(F)c(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)c1F ZINC000511124638 332927327 /nfs/dbraw/zinc/92/73/27/332927327.db2.gz LLHYZURYTICHED-GRYCIOLGSA-N 0 1 281.346 3.729 20 0 CHADMN Cc1ccnc(NCC2CCN(c3ccccc3)CC2)c1 ZINC000480503173 331774888 /nfs/dbraw/zinc/77/48/88/331774888.db2.gz CKPPZCVZFMODHD-UHFFFAOYSA-N 0 1 281.403 3.719 20 0 CHADMN C[C@@H](CN[C@H](c1ccccc1)c1ccccn1)C(F)(F)F ZINC000480672094 331783369 /nfs/dbraw/zinc/78/33/69/331783369.db2.gz YPECBKNNSQXDKK-SWLSCSKDSA-N 0 1 294.320 3.959 20 0 CHADMN CC[C@@H]1CCCC[C@H]1NCc1noc(-c2ccccc2)n1 ZINC000481190988 331800741 /nfs/dbraw/zinc/80/07/41/331800741.db2.gz MLPBOFWKEILHAM-UKRRQHHQSA-N 0 1 285.391 3.795 20 0 CHADMN C[C@@H](N[C@@H](C)CCC(F)(F)F)c1nc(C(C)(C)C)no1 ZINC000483654399 331880974 /nfs/dbraw/zinc/88/09/74/331880974.db2.gz BQWJYZUECNWUHX-DTWKUNHWSA-N 0 1 293.333 3.749 20 0 CHADMN Cc1cccc(NS(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000485256792 331911065 /nfs/dbraw/zinc/91/10/65/331911065.db2.gz PFVAOZSYNQMQQY-UHFFFAOYSA-N 0 1 299.754 3.588 20 0 CHADMN CC1=C[C@@H](C)CN(c2ccnc3cc(F)ccc32)C1 ZINC000485406884 331913540 /nfs/dbraw/zinc/91/35/40/331913540.db2.gz IYAUPAQSAMLALZ-LLVKDONJSA-N 0 1 256.324 3.776 20 0 CHADMN C[C@@H]1C[C@@H]1CN1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000488335571 332000494 /nfs/dbraw/zinc/00/04/94/332000494.db2.gz SHWZFWBUTJRQRK-KYOSRNDESA-N 0 1 299.336 3.735 20 0 CHADMN CC(C)(C)C[C@H]1CCCN1CC(=O)Nc1ccccc1F ZINC000488406995 332004498 /nfs/dbraw/zinc/00/44/98/332004498.db2.gz ZOCRORSDORGJHC-CYBMUJFWSA-N 0 1 292.398 3.665 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H]2CS[C@H](C(C)C)C2)s1 ZINC000488424350 332006518 /nfs/dbraw/zinc/00/65/18/332006518.db2.gz RNDRUIBAPMXRFI-SRVKXCTJSA-N 0 1 270.467 3.632 20 0 CHADMN COCCSCCC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000488436533 332008196 /nfs/dbraw/zinc/00/81/96/332008196.db2.gz CILVTUSIPVBDMP-UHFFFAOYSA-N 0 1 293.432 3.634 20 0 CHADMN Cc1cccc(C)c1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488896602 332032684 /nfs/dbraw/zinc/03/26/84/332032684.db2.gz ZLAJGVKXJWRCAZ-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1cccc([C@H](C)C(=O)Nc2nc3ccc(F)cc3[nH]2)c1 ZINC000488929707 332034287 /nfs/dbraw/zinc/03/42/87/332034287.db2.gz HKBQBUVXCPERGE-NSHDSACASA-N 0 1 297.333 3.753 20 0 CHADMN Cc1cccc(C)c1CC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488950694 332035012 /nfs/dbraw/zinc/03/50/12/332035012.db2.gz VVMBZKOUDZRMHJ-UHFFFAOYSA-N 0 1 297.333 3.500 20 0 CHADMN CSC[C@H]1CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000488957664 332035403 /nfs/dbraw/zinc/03/54/03/332035403.db2.gz VDZWPEXRJGMIHW-LBPRGKRZSA-N 0 1 290.407 3.953 20 0 CHADMN Cc1cccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)c1C ZINC000488958890 332035471 /nfs/dbraw/zinc/03/54/71/332035471.db2.gz XLWFQZPHESVDON-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN(C)[C@H]2CC2(C)C)s1 ZINC000489450977 332053554 /nfs/dbraw/zinc/05/35/54/332053554.db2.gz QXUBCRPZAYQCQA-VIFPVBQESA-N 0 1 278.343 3.701 20 0 CHADMN Cc1ccc([C@H]2C[C@H](C)N(Cc3cscn3)C2)cc1 ZINC000490047411 332078755 /nfs/dbraw/zinc/07/87/55/332078755.db2.gz QXTMNHZXOBYYLD-ZFWWWQNUSA-N 0 1 272.417 3.830 20 0 CHADMN C[C@H](c1ccccc1F)[N@@H+](C)C[C@@H]1CCO[C@H](C)C1 ZINC000491169769 332160773 /nfs/dbraw/zinc/16/07/73/332160773.db2.gz XKKPSIMNVSHLII-MGPQQGTHSA-N 0 1 265.372 3.634 20 0 CHADMN CC(C)CCc1nc(CN2CC[C@@H](C3CC3)C2)cs1 ZINC000491231034 332170720 /nfs/dbraw/zinc/17/07/20/332170720.db2.gz FALLTBJUCMYBRZ-CQSZACIVSA-N 0 1 278.465 3.964 20 0 CHADMN Cc1cc(C(=O)Nc2cccc(Cl)c2O)sc1C ZINC000172356947 335102532 /nfs/dbraw/zinc/10/25/32/335102532.db2.gz NDSJRFXNFYZALM-UHFFFAOYSA-N 0 1 281.764 3.976 20 0 CHADMN COc1cccc(C2=CCN([C@H](C)c3ccccn3)CC2)c1 ZINC000492002492 332378792 /nfs/dbraw/zinc/37/87/92/332378792.db2.gz SISUQWYQPRJJHL-OAHLLOKOSA-N 0 1 294.398 3.941 20 0 CHADMN Cc1nnsc1CNCc1cccc(-c2ccccc2)c1 ZINC000492207934 332387329 /nfs/dbraw/zinc/38/73/29/332387329.db2.gz HHPZUYYWXZMGAG-UHFFFAOYSA-N 0 1 295.411 3.803 20 0 CHADMN CC(C)OC1CC(N2CC[C@](F)(c3ccccc3)C2)C1 ZINC000575636328 335109069 /nfs/dbraw/zinc/10/90/69/335109069.db2.gz ZBHNPGIUNPFPDC-OFLPRAFFSA-N 0 1 277.383 3.513 20 0 CHADMN C[C@H](N[C@@]1(C)CCO[C@@H]1C)c1ncc(-c2ccccc2)o1 ZINC000494251819 332468304 /nfs/dbraw/zinc/46/83/04/332468304.db2.gz SZNRDYYGAXJDON-AHIWAGSCSA-N 0 1 286.375 3.560 20 0 CHADMN C[C@@H]1C[C@H](Nc2ccccc2CN2CCSCC2)[C@H]1C ZINC000494998403 332499054 /nfs/dbraw/zinc/49/90/54/332499054.db2.gz PENKQOWMAIXNGM-KEYYUXOJSA-N 0 1 290.476 3.692 20 0 CHADMN Cc1ccc(CNC2(C(=O)Nc3ccccc3)CC2)c(C)c1 ZINC000495156435 332509137 /nfs/dbraw/zinc/50/91/37/332509137.db2.gz HQYQPUOLCJGASE-UHFFFAOYSA-N 0 1 294.398 3.564 20 0 CHADMN CC/C=C\CNCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000496747222 332558601 /nfs/dbraw/zinc/55/86/01/332558601.db2.gz BDIRKWKXSQLYKT-SREVYHEPSA-N 0 1 297.424 3.546 20 0 CHADMN CCOC[C@H]1CCN([C@H](C)c2cccc(Cl)c2F)C1 ZINC000248554228 334305879 /nfs/dbraw/zinc/30/58/79/334305879.db2.gz JYASUMHHEDFRIO-NEPJUHHUSA-N 0 1 285.790 3.899 20 0 CHADMN CCn1cc(CN[C@@]2(c3ccc(Cl)cc3)C[C@H]2C)cn1 ZINC000500424572 332608338 /nfs/dbraw/zinc/60/83/38/332608338.db2.gz LITVREMWLNPSLG-WBMJQRKESA-N 0 1 289.810 3.581 20 0 CHADMN CC[C@H]1C[C@]1(NCc1cnoc1C)c1cccc(C)c1 ZINC000502591119 332666820 /nfs/dbraw/zinc/66/68/20/332666820.db2.gz KMPPMYBBYCENJM-DOTOQJQBSA-N 0 1 270.376 3.706 20 0 CHADMN CC[C@H](N[C@@H](c1ccc(F)cc1)C(C)C)c1ccn(C)n1 ZINC000503887640 332697915 /nfs/dbraw/zinc/69/79/15/332697915.db2.gz RNQBZXFFWZNEPZ-DOTOQJQBSA-N 0 1 289.398 3.997 20 0 CHADMN Cc1ccoc1CN1CCN(c2cccc(C)c2C)CC1 ZINC000505853430 332754812 /nfs/dbraw/zinc/75/48/12/332754812.db2.gz MRDZBQWFAFCHAZ-UHFFFAOYSA-N 0 1 284.403 3.527 20 0 CHADMN COc1ccc(CN[C@H]2C=CCCC2)c(Br)c1 ZINC000512010733 332950400 /nfs/dbraw/zinc/95/04/00/332950400.db2.gz WWYZPDFNKNMHDF-LBPRGKRZSA-N 0 1 296.208 3.656 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@H](C)c1nccs1 ZINC000336722011 335115372 /nfs/dbraw/zinc/11/53/72/335115372.db2.gz DRBMFLMVNHIFMU-HTQZYQBOSA-N 0 1 252.305 3.525 20 0 CHADMN COc1c(O)cccc1CN[C@@H](C)c1c(C)cccc1C ZINC000575793477 335115471 /nfs/dbraw/zinc/11/54/71/335115471.db2.gz WLPJHBICUJXMKL-AWEZNQCLSA-N 0 1 285.387 3.868 20 0 CHADMN CC(C)C1CCC(N(C)Cc2cscn2)CC1 ZINC000513196882 333007786 /nfs/dbraw/zinc/00/77/86/333007786.db2.gz RQOLEANASSKBGX-UHFFFAOYSA-N 0 1 252.427 3.790 20 0 CHADMN C[C@H]1CC[C@H]([N@H+](C)Cc2cccc([O-])c2Cl)C1 ZINC000513241173 333010554 /nfs/dbraw/zinc/01/05/54/333010554.db2.gz GOEAWTCYIKLWOC-JQWIXIFHSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2cccc([O-])c2Cl)C1 ZINC000513241173 333010555 /nfs/dbraw/zinc/01/05/55/333010555.db2.gz GOEAWTCYIKLWOC-JQWIXIFHSA-N 0 1 253.773 3.666 20 0 CHADMN CC1(C)CC[N@H+](Cc2cccc([O-])c2Cl)CCS1 ZINC000513317847 333013717 /nfs/dbraw/zinc/01/37/17/333013717.db2.gz PIFLSEIQTJBVGW-UHFFFAOYSA-N 0 1 285.840 3.763 20 0 CHADMN CC1(C)CC[N@@H+](Cc2cccc([O-])c2Cl)CCS1 ZINC000513317847 333013718 /nfs/dbraw/zinc/01/37/18/333013718.db2.gz PIFLSEIQTJBVGW-UHFFFAOYSA-N 0 1 285.840 3.763 20 0 CHADMN Fc1ccccc1CC1CCN(Cc2cncs2)CC1 ZINC000513472472 333021617 /nfs/dbraw/zinc/02/16/17/333021617.db2.gz FTRRFXCMEBDZJA-UHFFFAOYSA-N 0 1 290.407 3.737 20 0 CHADMN COc1ccccc1CC[N@@H+](C)Cc1cccc(F)c1F ZINC000513502721 333023151 /nfs/dbraw/zinc/02/31/51/333023151.db2.gz DRRFYBDJEQLBPY-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN COc1ccccc1CCN(C)Cc1cccc(F)c1F ZINC000513502721 333023152 /nfs/dbraw/zinc/02/31/52/333023152.db2.gz DRRFYBDJEQLBPY-UHFFFAOYSA-N 0 1 291.341 3.648 20 0 CHADMN Cc1ccnc([C@H](C)NCc2cccc(OC(F)F)c2)c1 ZINC000513703132 333034082 /nfs/dbraw/zinc/03/40/82/333034082.db2.gz QUGNLXCIFNDPCY-LBPRGKRZSA-N 0 1 292.329 3.842 20 0 CHADMN CCC(C)(C)OCCNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000308722185 333038147 /nfs/dbraw/zinc/03/81/47/333038147.db2.gz DTOJBUZYAODPQY-TZMCWYRMSA-N 0 1 265.397 3.698 20 0 CHADMN CC[C@H](C(=O)Nc1cccc(Oc2ccccc2)c1)N(C)C ZINC000513802307 333039881 /nfs/dbraw/zinc/03/98/81/333039881.db2.gz LIHZGEGDOBQJDC-QGZVFWFLSA-N 0 1 298.386 3.758 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(F)ccc2Br)C1 ZINC000309538446 333045158 /nfs/dbraw/zinc/04/51/58/333045158.db2.gz FTLVQNACQAKORR-SNVBAGLBSA-N 0 1 286.188 3.820 20 0 CHADMN COc1ccccc1C[N@@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000513967231 333056142 /nfs/dbraw/zinc/05/61/42/333056142.db2.gz GRTOSXPPEGVHSZ-ZDUSSCGKSA-N 0 1 283.362 3.953 20 0 CHADMN CCCN(CC(C)C)C(=O)c1ccc(O)c(Cl)c1 ZINC000310886551 333062275 /nfs/dbraw/zinc/06/22/75/333062275.db2.gz XBNFUOLZKOHMLW-UHFFFAOYSA-N 0 1 269.772 3.554 20 0 CHADMN C[C@@H](c1nc(Cc2ccccc2)no1)N1CCC[C@@H](C)CC1 ZINC000172789776 335122336 /nfs/dbraw/zinc/12/23/36/335122336.db2.gz CNZNLFYWSZNLFE-CABCVRRESA-N 0 1 299.418 3.843 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000177944481 333066058 /nfs/dbraw/zinc/06/60/58/333066058.db2.gz LRSDZOIUNHUMSP-GJZGRUSLSA-N 0 1 288.435 3.930 20 0 CHADMN CC(C)[C@H](CNCc1nn(C)cc1Cl)c1ccccc1 ZINC000393346826 333078950 /nfs/dbraw/zinc/07/89/50/333078950.db2.gz GSLYEESBEYHYGQ-AWEZNQCLSA-N 0 1 291.826 3.603 20 0 CHADMN COc1ccc(CN[C@@H]2CCc3c2cccc3C)c(F)c1 ZINC000516671239 333080256 /nfs/dbraw/zinc/08/02/56/333080256.db2.gz QBSNVFTTWLSHTH-GOSISDBHSA-N 0 1 285.362 3.920 20 0 CHADMN CC[N@@H+](C[C@H](C)OC)[C@H](C)c1ccccc1Cl ZINC000517052370 333091185 /nfs/dbraw/zinc/09/11/85/333091185.db2.gz WPESOPIZTGAQLJ-NWDGAFQWSA-N 0 1 255.789 3.758 20 0 CHADMN CCCCC[N@@H+](Cc1noc(C)c1C(=O)[O-])[C@H](C)CCC ZINC000517158302 333093524 /nfs/dbraw/zinc/09/35/24/333093524.db2.gz ASMITLKKNOXZNT-GFCCVEGCSA-N 0 1 296.411 3.862 20 0 CHADMN C[N@@H+](CC1(C(=O)[O-])CC1)C1c2ccccc2-c2ccccc21 ZINC000517161531 333093622 /nfs/dbraw/zinc/09/36/22/333093622.db2.gz XOLXQAIWYSIPEB-UHFFFAOYSA-N 0 1 293.366 3.553 20 0 CHADMN Cc1ccc(OC(F)F)c(CN2CCCCC2)c1 ZINC000517165487 333093789 /nfs/dbraw/zinc/09/37/89/333093789.db2.gz RIFFGDBRYZQSSU-UHFFFAOYSA-N 0 1 255.308 3.582 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNCC2=Cc3ccccc3OC2)o1 ZINC000520955730 333108394 /nfs/dbraw/zinc/10/83/94/333108394.db2.gz NBLMUYWBEIVXEW-DYVFJYSZSA-N 0 1 295.382 3.969 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2c1cnn2C)c1ccccc1OC ZINC000336850308 335121340 /nfs/dbraw/zinc/12/13/40/335121340.db2.gz RCWJTDSVIXMGTM-CVEARBPZSA-N 0 1 299.418 3.547 20 0 CHADMN CCCCN(C(=O)c1cc(-c2ccoc2)[nH]n1)[C@@H](C)CC ZINC000521137094 333112292 /nfs/dbraw/zinc/11/22/92/333112292.db2.gz GLIIFNWHTLJNMX-LBPRGKRZSA-N 0 1 289.379 3.711 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000213434035 333116151 /nfs/dbraw/zinc/11/61/51/333116151.db2.gz RBZYMWFHEGABDN-GFCCVEGCSA-N 0 1 267.394 3.601 20 0 CHADMN CC[C@@H](C)[C@H](C)C(=O)Nc1cccc(Cl)c1O ZINC000183771981 333122463 /nfs/dbraw/zinc/12/24/63/333122463.db2.gz XQXHWPVZPJWALI-BDAKNGLRSA-N 0 1 255.745 3.666 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc2ccccc2c1 ZINC000183961726 333123998 /nfs/dbraw/zinc/12/39/98/333123998.db2.gz MQJWIRAELUZEBU-UHFFFAOYSA-N 0 1 262.356 3.867 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cncc(C)c2)cc1F ZINC000184261678 333126024 /nfs/dbraw/zinc/12/60/24/333126024.db2.gz YXUHAFCPCJLRHT-QWHCGFSZSA-N 0 1 288.366 3.950 20 0 CHADMN CCC[C@@H](C)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000184639731 333130968 /nfs/dbraw/zinc/13/09/68/333130968.db2.gz YRJWUUPUKVJYSE-GHMZBOCLSA-N 0 1 277.343 3.715 20 0 CHADMN Cc1ccc2nc(SCc3cncc(F)c3)[nH]c2c1 ZINC000185184475 333136495 /nfs/dbraw/zinc/13/64/95/333136495.db2.gz PRVPVJNJNAHWLK-UHFFFAOYSA-N 0 1 273.336 3.698 20 0 CHADMN c1nnc(-c2ccccc2OCCCCc2ccccc2)[nH]1 ZINC000185380780 333139686 /nfs/dbraw/zinc/13/96/86/333139686.db2.gz ZBZHATLXDQZQKW-UHFFFAOYSA-N 0 1 293.370 3.873 20 0 CHADMN Oc1cc(F)cc(CN[C@H]2CCCc3cc(F)ccc32)c1 ZINC000185615119 333144961 /nfs/dbraw/zinc/14/49/61/333144961.db2.gz GJBLPBRWRXKOHX-KRWDZBQOSA-N 0 1 289.325 3.838 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H](C)c2nccnc2C)c1 ZINC000219242954 333145127 /nfs/dbraw/zinc/14/51/27/333145127.db2.gz XGFSPBQYWNYJLX-JSGCOSHPSA-N 0 1 255.365 3.505 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@@H](O)CC(C)(C)C)cs1 ZINC000186344133 333158879 /nfs/dbraw/zinc/15/88/79/333158879.db2.gz DBAZIUWYQRYBGD-NEPJUHHUSA-N 0 1 284.469 3.714 20 0 CHADMN CC(C)c1nc([C@@H](C)NCC(C)(C)[C@H](O)C(C)C)cs1 ZINC000186432443 333160739 /nfs/dbraw/zinc/16/07/39/333160739.db2.gz RCHWVLIQIRCOPY-TZMCWYRMSA-N 0 1 298.496 3.960 20 0 CHADMN Fc1ccccc1CC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000186594681 333163334 /nfs/dbraw/zinc/16/33/34/333163334.db2.gz GFZQCWVXXZYFPP-GFCCVEGCSA-N 0 1 275.289 3.643 20 0 CHADMN Fc1ccccc1CCN1CCC[C@@H](C(F)(F)F)C1 ZINC000186594681 333163335 /nfs/dbraw/zinc/16/33/35/333163335.db2.gz GFZQCWVXXZYFPP-GFCCVEGCSA-N 0 1 275.289 3.643 20 0 CHADMN Cc1nc(SCCCF)[nH]c1-c1ccccc1 ZINC000187147488 333168255 /nfs/dbraw/zinc/16/82/55/333168255.db2.gz RLRIEHYSZQYYEV-UHFFFAOYSA-N 0 1 250.342 3.837 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN[C@H](CCO)c1ccco1 ZINC000187529666 333172127 /nfs/dbraw/zinc/17/21/27/333172127.db2.gz DBGXTXSDZOPGHR-OAHLLOKOSA-N 0 1 293.794 3.763 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCC(C)(C)C3)n[nH]2)c(C)c1 ZINC000189200080 333184546 /nfs/dbraw/zinc/18/45/46/333184546.db2.gz VQDQRSGUEMHECS-UHFFFAOYSA-N 0 1 297.402 3.566 20 0 CHADMN CCCCOCCN(Cc1ccccc1F)C(C)C ZINC000521822297 333190401 /nfs/dbraw/zinc/19/04/01/333190401.db2.gz IXZXGTYKNJTYRL-UHFFFAOYSA-N 0 1 267.388 3.853 20 0 CHADMN CC[C@@H]1CCC[C@@H](N[C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000191569796 333221579 /nfs/dbraw/zinc/22/15/79/333221579.db2.gz GBTKQNHQTAKCEI-YNEHKIRRSA-N 0 1 279.428 3.987 20 0 CHADMN C[C@@H](N[C@@H]1CCCC1(C)C)c1nc(Cc2ccccc2)no1 ZINC000191597056 333222169 /nfs/dbraw/zinc/22/21/69/333222169.db2.gz CDGIRTZVDJTDBI-UKRRQHHQSA-N 0 1 299.418 3.890 20 0 CHADMN Cc1noc(C)c1CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000191659142 333223170 /nfs/dbraw/zinc/22/31/70/333223170.db2.gz CNHZNMKIABKOOS-LBPRGKRZSA-N 0 1 290.329 3.702 20 0 CHADMN Cc1ccccc1Cc1noc(CN[C@@H]2CCCC2(C)C)n1 ZINC000191859403 333226474 /nfs/dbraw/zinc/22/64/74/333226474.db2.gz KXRXEFWPNTVLLE-OAHLLOKOSA-N 0 1 299.418 3.637 20 0 CHADMN Fc1cccc(F)c1CN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191936677 333227478 /nfs/dbraw/zinc/22/74/78/333227478.db2.gz HULJRLNJVNRBQR-SJORKVTESA-N 0 1 289.325 3.585 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]([C@@H](C)[C@H](C)CC)C1CC1 ZINC000522007782 333229966 /nfs/dbraw/zinc/22/99/66/333229966.db2.gz KTXQARHNZSDPGD-NEPJUHHUSA-N 0 1 293.407 3.939 20 0 CHADMN COc1ccc(CN2CCS[C@@H](C)CC2)cc1Cl ZINC000192184990 333231893 /nfs/dbraw/zinc/23/18/93/333231893.db2.gz PACJQIVGLMINME-NSHDSACASA-N 0 1 285.840 3.676 20 0 CHADMN c1ccc([C@H]2CCCN2Cc2nc3ccccc3[nH]2)cc1 ZINC000192805141 333239583 /nfs/dbraw/zinc/23/95/83/333239583.db2.gz BZEVTOKDRXCJJC-QGZVFWFLSA-N 0 1 277.371 3.900 20 0 CHADMN Fc1cc(F)cc(CNCc2cc(Cl)cs2)c1 ZINC000192993833 333241218 /nfs/dbraw/zinc/24/12/18/333241218.db2.gz WXGYIKYDGHHKSM-UHFFFAOYSA-N 0 1 273.735 3.970 20 0 CHADMN CCCN(C)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000195010705 333242904 /nfs/dbraw/zinc/24/29/04/333242904.db2.gz OTPLAKSOAHPSEC-UHFFFAOYSA-N 0 1 276.405 3.661 20 0 CHADMN c1ccc2c(c1)CC[C@H]2N[C@H]1COCc2ccccc21 ZINC000225979943 333244156 /nfs/dbraw/zinc/24/41/56/333244156.db2.gz MUXIHZRAAMSUSE-MSOLQXFVSA-N 0 1 265.356 3.535 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@H]2COCc3ccccc32)s1 ZINC000225994235 333244681 /nfs/dbraw/zinc/24/46/81/333244681.db2.gz SDUFYLFZLAUXHT-ABAIWWIYSA-N 0 1 288.416 3.682 20 0 CHADMN COc1cc(F)cc(CNCc2cc(Cl)cs2)c1 ZINC000193200426 333244939 /nfs/dbraw/zinc/24/49/39/333244939.db2.gz ZICPMHNULBCFMK-UHFFFAOYSA-N 0 1 285.771 3.839 20 0 CHADMN c1cc(CNCc2cccc(OC3CCCC3)c2)co1 ZINC000193589340 333253855 /nfs/dbraw/zinc/25/38/55/333253855.db2.gz HCXVIFUAPIPPGA-UHFFFAOYSA-N 0 1 271.360 3.891 20 0 CHADMN Cc1ncc(CN(C)Cc2ccc(C)cc2C)s1 ZINC000193904720 333260785 /nfs/dbraw/zinc/26/07/85/333260785.db2.gz FYSQSBWVCBHOCJ-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN C[C@H](NCc1ccc(CO)cc1)c1ccc(F)cc1Cl ZINC000226560839 333264761 /nfs/dbraw/zinc/26/47/61/333264761.db2.gz RALFAOQNTXDNEC-NSHDSACASA-N 0 1 293.769 3.822 20 0 CHADMN Fc1cccc([C@H]2CCCN2CCOCC(F)(F)F)c1 ZINC000194311604 333268892 /nfs/dbraw/zinc/26/88/92/333268892.db2.gz ZIIFDIOHYFWUJF-CYBMUJFWSA-N 0 1 291.288 3.542 20 0 CHADMN Cc1ccc2nc(CNC(=O)[C@@H]3CCCCC3(C)C)[nH]c2c1 ZINC000194363508 333270073 /nfs/dbraw/zinc/27/00/73/333270073.db2.gz GOPVDXXPGMURCL-ZDUSSCGKSA-N 0 1 299.418 3.704 20 0 CHADMN COc1ccc([C@H](C)NCc2cc(C)ccc2F)cc1 ZINC000227286067 333279648 /nfs/dbraw/zinc/27/96/48/333279648.db2.gz RDMAYXUORPYBFV-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN CCCN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000522555034 333289895 /nfs/dbraw/zinc/28/98/95/333289895.db2.gz GQSOGYOWUWOYMX-ZDUSSCGKSA-N 0 1 255.814 3.840 20 0 CHADMN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2ccc(Br)cn2)C1 ZINC000229491831 333305689 /nfs/dbraw/zinc/30/56/89/333305689.db2.gz IWSOUEIXUJDNJL-GRYCIOLGSA-N 0 1 297.240 3.711 20 0 CHADMN CC1(C)SC[C@@H]1NCc1nc(-c2ccccc2)cs1 ZINC000338481189 335136692 /nfs/dbraw/zinc/13/66/92/335136692.db2.gz STLOLECLNMBGRV-ZDUSSCGKSA-N 0 1 290.457 3.794 20 0 CHADMN CC[C@@H]1CN(CCOc2ccc3ccccc3c2)C[C@@H](C)O1 ZINC000523582638 333333487 /nfs/dbraw/zinc/33/34/87/333333487.db2.gz ARYIEWRNPVXTFD-CRAIPNDOSA-N 0 1 299.414 3.718 20 0 CHADMN Cc1cccc(NC(=O)CN(C)C[C@@H](C)c2ccccc2)c1 ZINC000524309988 333359875 /nfs/dbraw/zinc/35/98/75/333359875.db2.gz QCMFPIBPDQRGOE-MRXNPFEDSA-N 0 1 296.414 3.669 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2cn(-c3ccccc3)nn2)CC1 ZINC000524481360 333363018 /nfs/dbraw/zinc/36/30/18/333363018.db2.gz SIOGMWSJQWDGOM-MRXNPFEDSA-N 0 1 298.434 3.525 20 0 CHADMN CCC[C@@H](C(=O)OCC)N1CC[C@@H](c2ccccc2C)C1 ZINC000524485782 333363051 /nfs/dbraw/zinc/36/30/51/333363051.db2.gz JQUFTMIVSBEJHS-WBVHZDCISA-N 0 1 289.419 3.516 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc2c(n1)CCC2 ZINC000575967639 335136053 /nfs/dbraw/zinc/13/60/53/335136053.db2.gz XCIWQWWRWMJOGO-SMDDNHRTSA-N 0 1 298.352 3.733 20 0 CHADMN CCN(Cc1coc(-c2ccc(F)cc2)n1)C1CCC1 ZINC000524596612 333367836 /nfs/dbraw/zinc/36/78/36/333367836.db2.gz LURKDFVLSAOWDY-UHFFFAOYSA-N 0 1 274.339 3.855 20 0 CHADMN CN([C@@H](c1cnn(C)c1)c1cccc(F)c1)[C@H]1C=CCCC1 ZINC000524597572 333367849 /nfs/dbraw/zinc/36/78/49/333367849.db2.gz HBPQANQYVBWILX-ZWKOTPCHSA-N 0 1 299.393 3.689 20 0 CHADMN CC(C)CCNc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000236739831 333375193 /nfs/dbraw/zinc/37/51/93/333375193.db2.gz RHJTXSGFNUHSMN-IYBDPMFKSA-N 0 1 290.451 3.754 20 0 CHADMN CC[C@H](NC[C@H](OC)c1ccccc1)c1nccs1 ZINC000338567063 335136935 /nfs/dbraw/zinc/13/69/35/335136935.db2.gz IJZOPRKUOWTDBI-KBPBESRZSA-N 0 1 276.405 3.572 20 0 CHADMN C[C@@H]1C[C@H](C)CN1Cc1cc(-c2cccs2)on1 ZINC000524893922 333392219 /nfs/dbraw/zinc/39/22/19/333392219.db2.gz UHRFWAHHUMSVNZ-WDEREUQCSA-N 0 1 262.378 3.633 20 0 CHADMN CC(C)C[C@@H](NCc1ccc(CO)o1)c1cccs1 ZINC000525189819 333402768 /nfs/dbraw/zinc/40/27/68/333402768.db2.gz RVEDXVRDRYDQNV-CQSZACIVSA-N 0 1 279.405 3.710 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1ncc(C)s1)c1ccc(F)cc1 ZINC000528447935 333438498 /nfs/dbraw/zinc/43/84/98/333438498.db2.gz FFESTKBCBSQQGL-FZMZJTMJSA-N 0 1 294.395 3.629 20 0 CHADMN COCCC1CCN([C@H](C)c2c(F)cccc2F)CC1 ZINC000528572541 333446576 /nfs/dbraw/zinc/44/65/76/333446576.db2.gz DMKLZHSUWMDBHW-GFCCVEGCSA-N 0 1 283.362 3.774 20 0 CHADMN Cc1nocc1CNCc1ccc(-c2ccccc2)cc1 ZINC000339220665 335142634 /nfs/dbraw/zinc/14/26/34/335142634.db2.gz PAUVONJLWMUZDN-UHFFFAOYSA-N 0 1 278.355 3.940 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@H](C(=O)[O-])c2ccccc2C)s1 ZINC000576046169 335145429 /nfs/dbraw/zinc/14/54/29/335145429.db2.gz BQSPXWDCIZHDNP-HNNXBMFYSA-N 0 1 289.400 3.623 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@H](CO)c2cccc(F)c2)c1 ZINC000537982890 333553625 /nfs/dbraw/zinc/55/36/25/333553625.db2.gz PQFUHFYHYDLDEU-RDTXWAMCSA-N 0 1 287.378 3.827 20 0 CHADMN Cc1ccccc1C[C@H](C)N(C)Cc1ncc(C2CC2)o1 ZINC000576069825 335148789 /nfs/dbraw/zinc/14/87/89/335148789.db2.gz UBSSGTHKKMIMRP-AWEZNQCLSA-N 0 1 284.403 3.923 20 0 CHADMN C[C@H](N[C@@H]1CSc2ccccc21)c1ccc2c(c1)OCO2 ZINC000126512456 333598816 /nfs/dbraw/zinc/59/88/16/333598816.db2.gz UESATWSVJZQRTE-SMDDNHRTSA-N 0 1 299.395 3.913 20 0 CHADMN CCc1nc(C)c([C@@H](C)NCc2cccc(C)n2)s1 ZINC000127205577 333623105 /nfs/dbraw/zinc/62/31/05/333623105.db2.gz INTBPAVGAJXCEZ-LLVKDONJSA-N 0 1 275.421 3.568 20 0 CHADMN Cc1cccc(CN[C@@H]2CCc3cc(Cl)ccc32)n1 ZINC000127310685 333626043 /nfs/dbraw/zinc/62/60/43/333626043.db2.gz YNSRALIRGUJGEW-MRXNPFEDSA-N 0 1 272.779 3.821 20 0 CHADMN C[C@@H](CN[C@@H](C)c1c(F)cccc1F)C(F)(F)F ZINC000539231506 333662388 /nfs/dbraw/zinc/66/23/88/333662388.db2.gz VKMSKCLFKFRBOH-YUMQZZPRSA-N 0 1 267.241 3.814 20 0 CHADMN Fc1cc(F)c(CN2C[C@H]3CCCC[C@@H]3C2)cc1F ZINC000539829757 333695502 /nfs/dbraw/zinc/69/55/02/333695502.db2.gz VQSXBWSYKNFDDC-GHMZBOCLSA-N 0 1 269.310 3.726 20 0 CHADMN Cc1ccc([C@@H](NCc2cccc(O)c2)C2CCC2)o1 ZINC000541740909 333789044 /nfs/dbraw/zinc/78/90/44/333789044.db2.gz JHPSRLRVMNSTCI-KRWDZBQOSA-N 0 1 271.360 3.925 20 0 CHADMN CC[C@@H]1CCC[C@H](CNC2(c3noc(C)n3)CCCC2)C1 ZINC000542247376 333818387 /nfs/dbraw/zinc/81/83/87/333818387.db2.gz JDOVIXFJSHNWKX-CABCVRRESA-N 0 1 291.439 3.953 20 0 CHADMN CCCc1noc(CN[C@H](C)[C@@H](C)C2CCCCC2)n1 ZINC000542530573 333831121 /nfs/dbraw/zinc/83/11/21/333831121.db2.gz FSYPEODVSDNPHC-CHWSQXEVSA-N 0 1 279.428 3.717 20 0 CHADMN CC[C@@H](N[C@H](CC)c1ccc(OC)cc1)c1ccn(C)n1 ZINC000542671240 333835827 /nfs/dbraw/zinc/83/58/27/333835827.db2.gz PSOZULZPLBEMGI-HZPDHXFCSA-N 0 1 287.407 3.621 20 0 CHADMN CC[C@H](N[C@@H](CC)c1ccc(C)cc1)c1ccn(C)n1 ZINC000543600997 333883363 /nfs/dbraw/zinc/88/33/63/333883363.db2.gz UOCGTOJWRAXCIW-HOTGVXAUSA-N 0 1 271.408 3.921 20 0 CHADMN CCCCN[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000543607871 333884404 /nfs/dbraw/zinc/88/44/04/333884404.db2.gz LGDPWMRTKDZJGF-HNNXBMFYSA-N 0 1 277.799 3.553 20 0 CHADMN Fc1ccc([C@H](NC2CCCCC2)c2cnccn2)cc1 ZINC000544379394 333928079 /nfs/dbraw/zinc/92/80/79/333928079.db2.gz LPLLNXVXGJUAAO-KRWDZBQOSA-N 0 1 285.366 3.627 20 0 CHADMN C[C@H](NCc1ccc(F)cc1)c1ccc(F)cc1N(C)C ZINC000131802351 333966830 /nfs/dbraw/zinc/96/68/30/333966830.db2.gz PIXRQQQIAVYCAJ-LBPRGKRZSA-N 0 1 290.357 3.882 20 0 CHADMN Cc1nnc(CN[C@@H]2C[C@H](c3ccccc3)C2(C)C)s1 ZINC000545920231 334006038 /nfs/dbraw/zinc/00/60/38/334006038.db2.gz GBQFBZSWIOICHU-ZIAGYGMSSA-N 0 1 287.432 3.518 20 0 CHADMN C[C@H](NCc1cnc(C2CCC2)s1)c1cccc(O)c1 ZINC000132838282 334007478 /nfs/dbraw/zinc/00/74/78/334007478.db2.gz ORSZSKQORSLEFH-NSHDSACASA-N 0 1 288.416 3.967 20 0 CHADMN C[C@H](CCC1CC1)N[C@H](c1nccn1C)c1ccccc1 ZINC000545985236 334010820 /nfs/dbraw/zinc/01/08/20/334010820.db2.gz YGDIECDYIUWYKS-PBHICJAKSA-N 0 1 283.419 3.678 20 0 CHADMN Cc1cc2cc(CNC(C)(C)c3cnn(C)c3)oc2cc1C ZINC000545998082 334011416 /nfs/dbraw/zinc/01/14/16/334011416.db2.gz DFPRMGAHLFZFTJ-UHFFFAOYSA-N 0 1 297.402 3.808 20 0 CHADMN CCc1ccc(CN[C@H]2CCc3c2cccc3C)o1 ZINC000132997426 334012798 /nfs/dbraw/zinc/01/27/98/334012798.db2.gz OWBARDFVUIEGDG-KRWDZBQOSA-N 0 1 255.361 3.928 20 0 CHADMN Cc1noc([C@@H](C)NCC2CCC(C(C)(C)C)CC2)n1 ZINC000564299039 334013562 /nfs/dbraw/zinc/01/35/62/334013562.db2.gz FVTNBGXGDGIYMV-LMWSTFAQSA-N 0 1 279.428 3.881 20 0 CHADMN CCCC[C@H](COC)NCc1nc(C(C)(C)C)cs1 ZINC000133548073 334044539 /nfs/dbraw/zinc/04/45/39/334044539.db2.gz NQXRLNUSBOTVAW-GFCCVEGCSA-N 0 1 284.469 3.735 20 0 CHADMN COc1ccc2c(c1)CN(CCCCC(F)(F)F)CC2 ZINC000133697709 334050492 /nfs/dbraw/zinc/05/04/92/334050492.db2.gz OOHXKGGCZKXOMB-UHFFFAOYSA-N 0 1 287.325 3.786 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2CC[C@H](C(C)C)C2)s1 ZINC000546809039 334051123 /nfs/dbraw/zinc/05/11/23/334051123.db2.gz WDKYLPBALFETFI-JTQLQIEISA-N 0 1 292.370 3.948 20 0 CHADMN CCOc1cc(C)ccc1NC(=O)c1cccc2cn[nH]c21 ZINC000133765004 334054580 /nfs/dbraw/zinc/05/45/80/334054580.db2.gz VRXDJGZIWCNWHA-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN CCN(CCC1CC1)Cc1ncc(-c2ccccc2)o1 ZINC000546932521 334055714 /nfs/dbraw/zinc/05/57/14/334055714.db2.gz OBQRTIVJZJSAPC-UHFFFAOYSA-N 0 1 270.376 3.964 20 0 CHADMN C[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccoc1 ZINC000133981622 334076513 /nfs/dbraw/zinc/07/65/13/334076513.db2.gz QJZJMTJCBKSPNB-SNVBAGLBSA-N 0 1 293.750 3.555 20 0 CHADMN CCc1noc([C@H](C)N2C[C@H](c3ccccc3)C(C)(C)C2)n1 ZINC000134257918 334085615 /nfs/dbraw/zinc/08/56/15/334085615.db2.gz BKSBLVKMVIBGGV-DZGCQCFKSA-N 0 1 299.418 3.819 20 0 CHADMN Cc1cccc(NCCc2ccc(OC(C)C)cc2)n1 ZINC000547465025 334090415 /nfs/dbraw/zinc/09/04/15/334090415.db2.gz HFRGAFNDMYJGSF-UHFFFAOYSA-N 0 1 270.376 3.832 20 0 CHADMN CCC[C@@H]1CCCC[C@@H]1NCc1nc(CC(C)C)no1 ZINC000547509015 334096304 /nfs/dbraw/zinc/09/63/04/334096304.db2.gz PQQCLQJWOQWJRE-KGLIPLIRSA-N 0 1 279.428 3.717 20 0 CHADMN CC[C@H]1CCCN(Cc2cncc(Br)c2)CC1 ZINC000134756408 334103226 /nfs/dbraw/zinc/10/32/26/334103226.db2.gz AGMDJRDNUPEBGL-LBPRGKRZSA-N 0 1 297.240 3.856 20 0 CHADMN CC[C@H]1CCCCCN1Cc1ccc(Br)cn1 ZINC000134911847 334108033 /nfs/dbraw/zinc/10/80/33/334108033.db2.gz RIHGNRXIBXZMLE-AWEZNQCLSA-N 0 1 297.240 3.999 20 0 CHADMN CO[C@@]1(C)CCC[N@H+]([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000547768384 334115851 /nfs/dbraw/zinc/11/58/51/334115851.db2.gz DMNXNYSNTKQKLV-WFASDCNBSA-N 0 1 267.800 3.902 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H]2CCc3ccccc32)s1 ZINC000135161371 334118411 /nfs/dbraw/zinc/11/84/11/334118411.db2.gz XVYVFNZMNMTKKZ-SMDDNHRTSA-N 0 1 258.390 3.790 20 0 CHADMN CN(CCC1CC1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000135265558 334122819 /nfs/dbraw/zinc/12/28/19/334122819.db2.gz XGUXBNBSLYQPSD-UHFFFAOYSA-N 0 1 291.782 3.622 20 0 CHADMN Cc1ccc(-c2nnc([C@@H](C)N(C)CCC3CC3)o2)cc1 ZINC000135290944 334123741 /nfs/dbraw/zinc/12/37/41/334123741.db2.gz UQPIMVYQMSFCCA-CYBMUJFWSA-N 0 1 285.391 3.838 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CCC(CCO)CC1 ZINC000547832111 334124869 /nfs/dbraw/zinc/12/48/69/334124869.db2.gz CUAFNZJZMTVSEZ-LLVKDONJSA-N 0 1 285.790 3.635 20 0 CHADMN CC1(C)CCC[C@H]1[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000547971443 334132460 /nfs/dbraw/zinc/13/24/60/334132460.db2.gz QFNGOYDRFSUCRO-MRXNPFEDSA-N 0 1 289.419 3.932 20 0 CHADMN CCC[C@@H]1CCCC[C@@H]1NCc1nnc(C(C)C)o1 ZINC000548159586 334143761 /nfs/dbraw/zinc/14/37/61/334143761.db2.gz ZLHKJXIKDKWMAE-OLZOCXBDSA-N 0 1 265.401 3.642 20 0 CHADMN CCC[C@@H]1CCCC[C@H]1NCc1nnc(C(C)C)o1 ZINC000548159585 334143889 /nfs/dbraw/zinc/14/38/89/334143889.db2.gz ZLHKJXIKDKWMAE-CHWSQXEVSA-N 0 1 265.401 3.642 20 0 CHADMN C[C@H](NCc1cc(-c2ccccc2)n[nH]1)c1cccc(O)c1 ZINC000136055088 334145380 /nfs/dbraw/zinc/14/53/80/334145380.db2.gz PNNYUMYNWWPYHZ-ZDUSSCGKSA-N 0 1 293.370 3.633 20 0 CHADMN Clc1cc(Cl)cc(CNCc2ccoc2)c1 ZINC000136095904 334146317 /nfs/dbraw/zinc/14/63/17/334146317.db2.gz XSUFKYIHDNXEMG-UHFFFAOYSA-N 0 1 256.132 3.876 20 0 CHADMN Cc1cc(Cl)ccc1CN1CCC[C@H](n2cccn2)C1 ZINC000136183496 334149025 /nfs/dbraw/zinc/14/90/25/334149025.db2.gz RSADNVAXIDALQG-INIZCTEOSA-N 0 1 289.810 3.682 20 0 CHADMN CCc1cnc(CN2CC[C@@H](c3ccc(C)cc3C)C2)o1 ZINC000548427893 334155922 /nfs/dbraw/zinc/15/59/22/334155922.db2.gz IMMQHCVTNMANML-OAHLLOKOSA-N 0 1 284.403 3.843 20 0 CHADMN c1ccc([C@@H]2CCCC[C@@H]2NCc2nc(C3CC3)no2)cc1 ZINC000548539257 334162403 /nfs/dbraw/zinc/16/24/03/334162403.db2.gz RNQVNGULSBUHAC-HOTGVXAUSA-N 0 1 297.402 3.763 20 0 CHADMN O=C(N[C@H]1CC=CCC1)c1c(O)cc(Cl)cc1Cl ZINC000080029098 334165191 /nfs/dbraw/zinc/16/51/91/334165191.db2.gz DHNHNFGZJYSLEH-VIFPVBQESA-N 0 1 286.158 3.538 20 0 CHADMN CC(C)Cc1noc(CNC(C)(C)CC(C)(C)C)n1 ZINC000080039953 334165440 /nfs/dbraw/zinc/16/54/40/334165440.db2.gz VGNNISNJFCFZPQ-UHFFFAOYSA-N 0 1 267.417 3.573 20 0 CHADMN Fc1cccc(F)c1CN(C1CC1)C1CCCC1 ZINC000548733091 334167782 /nfs/dbraw/zinc/16/77/82/334167782.db2.gz DUDMBVGEEPDJNF-UHFFFAOYSA-N 0 1 251.320 3.872 20 0 CHADMN C[C@@H]1C[C@@H](C)N1Cc1ccc(Cl)c2cccnc12 ZINC000548753214 334169688 /nfs/dbraw/zinc/16/96/88/334169688.db2.gz OZGHJOLAFZPCCH-GHMZBOCLSA-N 0 1 260.768 3.871 20 0 CHADMN Cc1ccc([C@H]2CCN(Cc3nnc(C4CC4)o3)C2)c(C)c1 ZINC000548756097 334170042 /nfs/dbraw/zinc/17/00/42/334170042.db2.gz PYIFHJIQDFXEOU-HNNXBMFYSA-N 0 1 297.402 3.553 20 0 CHADMN CN(Cc1cccc(O)c1)Cc1cccc(Cl)c1 ZINC000080916503 334175208 /nfs/dbraw/zinc/17/52/08/334175208.db2.gz GWPOAAQQZILJRU-UHFFFAOYSA-N 0 1 261.752 3.678 20 0 CHADMN Cc1cccc(CCN[C@@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000549181262 334187224 /nfs/dbraw/zinc/18/72/24/334187224.db2.gz IRYVJIWGTNQJOH-ZDUSSCGKSA-N 0 1 287.407 3.569 20 0 CHADMN CC(C)CCCN[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000549245503 334188818 /nfs/dbraw/zinc/18/88/18/334188818.db2.gz GGHBNCQLCNJORN-LBPRGKRZSA-N 0 1 291.370 3.963 20 0 CHADMN CC[C@@H]1CN(Cc2nccn2CC)CC[C@H]1c1ccccc1 ZINC000245410689 334190826 /nfs/dbraw/zinc/19/08/26/334190826.db2.gz SINGWYLFZBMABJ-SJLPKXTDSA-N 0 1 297.446 3.919 20 0 CHADMN CCOC[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000081520912 334194062 /nfs/dbraw/zinc/19/40/62/334194062.db2.gz TVPLXLQGXCKQIE-GFCCVEGCSA-N 0 1 288.218 3.852 20 0 CHADMN CCOC[C@@H]1CCN(Cc2c(Cl)cccc2Cl)C1 ZINC000081519496 334194090 /nfs/dbraw/zinc/19/40/90/334194090.db2.gz VWLFZDAVONUKDE-LLVKDONJSA-N 0 1 288.218 3.852 20 0 CHADMN Cc1cc(C)cc(N(C)C(=O)c2c[nH]nc2C(C)(C)C)c1 ZINC000549522507 334196177 /nfs/dbraw/zinc/19/61/77/334196177.db2.gz RHTUIWKBGVIAAB-UHFFFAOYSA-N 0 1 285.391 3.601 20 0 CHADMN CCCCN1CCC[C@H]1c1ccc(Br)cn1 ZINC000549688852 334201820 /nfs/dbraw/zinc/20/18/20/334201820.db2.gz VWEAVSJZEQFELD-ZDUSSCGKSA-N 0 1 283.213 3.781 20 0 CHADMN CC(C)CO[C@@H]1CCN([C@H](C)c2nc3ccccc3o2)C1 ZINC000245540302 334202119 /nfs/dbraw/zinc/20/21/19/334202119.db2.gz IIBWGXXGKXGWCH-ZIAGYGMSSA-N 0 1 288.391 3.636 20 0 CHADMN CC(C)[C@H]1CN([C@H](C)c2nc3ccccc3o2)CCS1 ZINC000245555019 334203115 /nfs/dbraw/zinc/20/31/15/334203115.db2.gz SQIMYAZVEZCODI-IUODEOHRSA-N 0 1 290.432 3.962 20 0 CHADMN C[C@H](c1ccccc1Br)N1C[C@@H](C)[C@H]1C ZINC000550311925 334219885 /nfs/dbraw/zinc/21/98/85/334219885.db2.gz KJZYZIQRCPUDHO-GMTAPVOTSA-N 0 1 268.198 3.850 20 0 CHADMN C[C@@H]1CN(Cc2c[nH]nc2C(C)(C)C)[C@H]1c1ccccc1 ZINC000245723894 334215210 /nfs/dbraw/zinc/21/52/10/334215210.db2.gz IJUYHZQGWQLFRF-CZUORRHYSA-N 0 1 283.419 3.900 20 0 CHADMN CCCCN(C(=O)c1ccc2cncn2c1)c1ccccc1 ZINC000550270622 334218327 /nfs/dbraw/zinc/21/83/27/334218327.db2.gz AQKYJMJPACXLCX-UHFFFAOYSA-N 0 1 293.370 3.781 20 0 CHADMN CC(C)[C@]1(CO)CCCN([C@@H](C)c2cc(F)ccc2F)C1 ZINC000550430904 334222142 /nfs/dbraw/zinc/22/21/42/334222142.db2.gz DEFSYRXFJYZBAN-SUMWQHHRSA-N 0 1 297.389 3.756 20 0 CHADMN COc1ccc(CN2CCCO[C@@H](C(C)C)C2)cc1Cl ZINC000550561175 334224402 /nfs/dbraw/zinc/22/44/02/334224402.db2.gz AEEQEEHAXZJRFS-MRXNPFEDSA-N 0 1 297.826 3.596 20 0 CHADMN C[C@@H](N[C@H]1CC[C@@H](C)c2ccccc21)c1nccn1C ZINC000246059321 334229027 /nfs/dbraw/zinc/22/90/27/334229027.db2.gz QXIDWWMRZFXYEN-IOASZLSFSA-N 0 1 269.392 3.709 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cn3ccccc3n2)cc1 ZINC000550885580 334231979 /nfs/dbraw/zinc/23/19/79/334231979.db2.gz HEUJCNNPZYKTEN-KBPBESRZSA-N 0 1 295.386 3.755 20 0 CHADMN CC(C)CN(CC(C)C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000551063826 334237647 /nfs/dbraw/zinc/23/76/47/334237647.db2.gz DKBZWBBNCUWDDD-UHFFFAOYSA-N 0 1 299.418 3.831 20 0 CHADMN C[C@@H]1CCN(Cc2nc(C(C)(C)C)cs2)[C@H]1C ZINC000246208047 334240639 /nfs/dbraw/zinc/24/06/39/334240639.db2.gz JWWIPNRNDAFBTN-MNOVXSKESA-N 0 1 252.427 3.671 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(F)cc1Cl)c1cc[nH]c(=O)c1 ZINC000551242357 334242789 /nfs/dbraw/zinc/24/27/89/334242789.db2.gz TXXJAXOCPVSMFT-UWVGGRQHSA-N 0 1 294.757 3.992 20 0 CHADMN C[C@@H]1CO[C@@H](c2ccccc2)CN1[C@@H]1C=CCCC1 ZINC000246244440 334245322 /nfs/dbraw/zinc/24/53/22/334245322.db2.gz JYOUZJCINQBDGS-DJIMGWMZSA-N 0 1 257.377 3.557 20 0 CHADMN F[C@H]1CCC[C@H]1N[C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000551304241 334245879 /nfs/dbraw/zinc/24/58/79/334245879.db2.gz DLQHLPSEDLQKMK-GVDBMIGSSA-N 0 1 289.394 3.869 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cn3cc(C)ccc3n1)CC2 ZINC000551535920 334253576 /nfs/dbraw/zinc/25/35/76/334253576.db2.gz CEOJMHQENOZOAK-SFHVURJKSA-N 0 1 291.398 3.728 20 0 CHADMN FC(F)(F)CCN1CCC=C(c2ccccc2)C1 ZINC000551707704 334258771 /nfs/dbraw/zinc/25/87/71/334258771.db2.gz PKPPNDDESLIKMG-UHFFFAOYSA-N 0 1 255.283 3.728 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(C2CCCC2)no1 ZINC000246581954 334264706 /nfs/dbraw/zinc/26/47/06/334264706.db2.gz GEXQZDGHXMURAT-VHDGCEQUSA-N 0 1 289.423 3.880 20 0 CHADMN CO[C@@H]1CCCN([C@H](C)c2ccc(Br)cc2)C1 ZINC000246637263 334266081 /nfs/dbraw/zinc/26/60/81/334266081.db2.gz WUBKHZRGLYPWOU-BXUZGUMPSA-N 0 1 298.224 3.621 20 0 CHADMN Cc1cccc([C@H](C)N2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000246846591 334270577 /nfs/dbraw/zinc/27/05/77/334270577.db2.gz BWEUVTDLBBSPRQ-HNAYVOBHSA-N 0 1 297.398 3.835 20 0 CHADMN CC[C@H](C)[C@H](C)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000247160037 334276725 /nfs/dbraw/zinc/27/67/25/334276725.db2.gz RYYWSLVKTAJGDA-RWMBFGLXSA-N 0 1 273.380 3.822 20 0 CHADMN c1coc(-c2cc(CN3CCC[C@H]4CCC[C@H]43)no2)c1 ZINC000247451219 334281757 /nfs/dbraw/zinc/28/17/57/334281757.db2.gz HNFPHLZVQUCGAQ-TZMCWYRMSA-N 0 1 272.348 3.699 20 0 CHADMN CCO[C@@H]1C[C@H]1N[C@@H](CCC(C)C)c1ccoc1 ZINC000552055622 334282219 /nfs/dbraw/zinc/28/22/19/334282219.db2.gz WPLMHKFPKUFSPX-RRFJBIMHSA-N 0 1 251.370 3.524 20 0 CHADMN CC(C)[C@H]1N(Cc2cnc(C(C)(C)C)nc2)CC1(C)C ZINC000552072390 334285974 /nfs/dbraw/zinc/28/59/74/334285974.db2.gz HGSYZKUUFQNOJN-CQSZACIVSA-N 0 1 275.440 3.641 20 0 CHADMN CCCc1nc(CN2CCC[C@@H]3CCC[C@H]32)cs1 ZINC000247574464 334286146 /nfs/dbraw/zinc/28/61/46/334286146.db2.gz SBSLUSDZHNQRAI-GXTWGEPZSA-N 0 1 264.438 3.860 20 0 CHADMN C[C@H](N[C@H]1CC[C@@H](C)C[C@@H]1C)c1nc(C(C)(C)C)no1 ZINC000248571410 334306733 /nfs/dbraw/zinc/30/67/33/334306733.db2.gz RBMHRFOXWKEOIG-VOAKCMCISA-N 0 1 279.428 3.842 20 0 CHADMN C[C@H](CC[N@@H+](C)[C@H](C)c1cnn(C)c1)c1ccccc1 ZINC000248743032 334315684 /nfs/dbraw/zinc/31/56/84/334315684.db2.gz ANOWXHBSQQQAJF-HUUCEWRRSA-N 0 1 271.408 3.607 20 0 CHADMN C[C@@H](c1ccccn1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000249017370 334324948 /nfs/dbraw/zinc/32/49/48/334324948.db2.gz PXWFHUZPQAIMAB-QWHCGFSZSA-N 0 1 288.341 3.910 20 0 CHADMN CCC1(CC)CN([C@H](C)c2ccccc2C)CC[S@@]1=O ZINC000249035712 334325272 /nfs/dbraw/zinc/32/52/72/334325272.db2.gz TZKXOHNKSWQGTO-QRWLVFNGSA-N 0 1 293.476 3.679 20 0 CHADMN C[C@@H]1CN(Cc2sc3ccccc3c2Cl)CC[C@H]1O ZINC000249145411 334329130 /nfs/dbraw/zinc/32/91/30/334329130.db2.gz UBNSAYCNCVBNHQ-ZYHUDNBSSA-N 0 1 295.835 3.757 20 0 CHADMN CC[C@@]1(CO)CCCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000249586618 334337370 /nfs/dbraw/zinc/33/73/70/334337370.db2.gz TZVHCJOVPRLPCP-MLGOLLRUSA-N 0 1 283.362 3.510 20 0 CHADMN CC[C@@H](C)C(=O)CSc1n[nH]c(CCC2CCCC2)n1 ZINC000089679952 334348672 /nfs/dbraw/zinc/34/86/72/334348672.db2.gz ZOHAWDJEHRBMGG-LLVKDONJSA-N 0 1 295.452 3.635 20 0 CHADMN CC[C@@H](C)C(=O)CSc1nc(CCC2CCCC2)n[nH]1 ZINC000089679952 334348674 /nfs/dbraw/zinc/34/86/74/334348674.db2.gz ZOHAWDJEHRBMGG-LLVKDONJSA-N 0 1 295.452 3.635 20 0 CHADMN C[C@H](C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000251088078 334356179 /nfs/dbraw/zinc/35/61/79/334356179.db2.gz JPJNJBFNGFTFDH-XBVQOTNRSA-N 0 1 287.403 3.508 20 0 CHADMN CCc1ccc([C@@H](NCc2cc(C)ncn2)C(C)C)cc1 ZINC000553104372 334361836 /nfs/dbraw/zinc/36/18/36/334361836.db2.gz XEGFIUWMXKWWAX-SFHVURJKSA-N 0 1 283.419 3.834 20 0 CHADMN COC[C@@H]1CN([C@@H](C)c2ccc3ccccc3c2)C[C@@H](C)O1 ZINC000251779913 334369509 /nfs/dbraw/zinc/36/95/09/334369509.db2.gz LHUCSMFFNLGFDQ-VCBZYWHSSA-N 0 1 299.414 3.637 20 0 CHADMN CC(C)c1cc(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2)n[nH]1 ZINC000553337385 334378769 /nfs/dbraw/zinc/37/87/69/334378769.db2.gz HRFXOWDMOWRKRB-SUMWQHHRSA-N 0 1 297.402 3.756 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000091782138 334383203 /nfs/dbraw/zinc/38/32/03/334383203.db2.gz XDOMRYDHWLBXEU-OCCSQVGLSA-N 0 1 285.343 3.528 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3cccc(C)c3C)ccc12 ZINC000091825624 334384004 /nfs/dbraw/zinc/38/40/04/334384004.db2.gz FWXBTNVFBBCLRU-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN Cc1ccc2nc(NC(=O)CC3CC(C)(C)C3)[nH]c2c1 ZINC000553473557 334386882 /nfs/dbraw/zinc/38/68/82/334386882.db2.gz BJAVESDKOAAZLH-UHFFFAOYSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1ccc2nc(NC(=O)c3cc4ccccc4[nH]3)[nH]c2c1 ZINC000553485669 334387906 /nfs/dbraw/zinc/38/79/06/334387906.db2.gz WLIBQLXKFXMEGN-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1C[C@H](C)C[C@H]1C ZINC000252888910 334399275 /nfs/dbraw/zinc/39/92/75/334399275.db2.gz BYLPGTURBCCXJS-CHWSQXEVSA-N 0 1 275.392 3.518 20 0 CHADMN C[C@H](N[C@@H](c1ccco1)c1ccccc1)[C@H]1CCCO1 ZINC000253624189 334441188 /nfs/dbraw/zinc/44/11/88/334441188.db2.gz BVPBSTIQSBFLOH-YSVLISHTSA-N 0 1 271.360 3.526 20 0 CHADMN Cc1nc(CN[C@H]2CC[C@@H]2C2CCC2)nc2ccccc12 ZINC000554725197 334449108 /nfs/dbraw/zinc/44/91/08/334449108.db2.gz ORQQSFATDOUACR-CVEARBPZSA-N 0 1 281.403 3.607 20 0 CHADMN CCc1nc(C)c([C@@H](C)N[C@@H]2CCC[C@@H]2F)s1 ZINC000556259782 334504703 /nfs/dbraw/zinc/50/47/03/334504703.db2.gz LHZMMEOMQTXAEW-DVVUODLYSA-N 0 1 256.390 3.555 20 0 CHADMN CSc1ccc(CNCc2ccccc2F)s1 ZINC000565332263 334553013 /nfs/dbraw/zinc/55/30/13/334553013.db2.gz FOIPJBXYCCMZLT-UHFFFAOYSA-N 0 1 267.394 3.899 20 0 CHADMN FCC1(NCc2ccc(F)cc2C(F)(F)F)CCC1 ZINC000566247973 334638572 /nfs/dbraw/zinc/63/85/72/334638572.db2.gz FCBCJUHLPGFAKT-UHFFFAOYSA-N 0 1 279.252 3.826 20 0 CHADMN CCc1ccc([C@H](C)NCc2cccnc2N(C)C)cc1 ZINC000154728105 334703744 /nfs/dbraw/zinc/70/37/44/334703744.db2.gz OSSLXXUHYBLVNV-AWEZNQCLSA-N 0 1 283.419 3.561 20 0 CHADMN Cc1ncncc1[C@@H](C)NC1(c2ccc(Cl)cc2)CC1 ZINC000568236390 334806986 /nfs/dbraw/zinc/80/69/86/334806986.db2.gz JPFOWYZHNWDBAH-GFCCVEGCSA-N 0 1 287.794 3.778 20 0 CHADMN FC1(F)CC(NCc2cc(Cl)ccc2Cl)C1 ZINC000277686161 334816564 /nfs/dbraw/zinc/81/65/64/334816564.db2.gz PZGCZBFGSHNXFT-UHFFFAOYSA-N 0 1 266.118 3.881 20 0 CHADMN C[C@H]1CC[C@H](C(=O)Nc2cc(Cl)c(O)cc2F)CC1 ZINC000568634221 334834039 /nfs/dbraw/zinc/83/40/39/334834039.db2.gz GRPYWFLXURQYRR-KYZUINATSA-N 0 1 285.746 3.950 20 0 CHADMN Cc1nc(C2(NC[C@H]3CC(C)=C[C@H](C)C3)CCCC2)no1 ZINC000573169329 334914349 /nfs/dbraw/zinc/91/43/49/334914349.db2.gz APZNPNYDDICJFI-SWLSCSKDSA-N 0 1 289.423 3.729 20 0 CHADMN FC(F)c1ccc(CNc2cc3c(cn2)CCCC3)cc1 ZINC000573175788 334914640 /nfs/dbraw/zinc/91/46/40/334914640.db2.gz SFHMDVUBYCAJQX-UHFFFAOYSA-N 0 1 288.341 3.932 20 0 CHADMN Cc1cccc([C@H](NCc2cnccn2)C(C)(C)C)c1 ZINC000576325142 335189740 /nfs/dbraw/zinc/18/97/40/335189740.db2.gz ODDSAAUSGIFOGA-INIZCTEOSA-N 0 1 269.392 3.662 20 0 CHADMN CCC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000576405021 335199743 /nfs/dbraw/zinc/19/97/43/335199743.db2.gz AFHJQONCQLDNQW-OAHLLOKOSA-N 0 1 289.419 3.671 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@@H]1CCc2sc(Cl)cc21 ZINC000576479828 335209925 /nfs/dbraw/zinc/20/99/25/335209925.db2.gz RONXOYRCSZDRKV-BXKDBHETSA-N 0 1 293.823 3.838 20 0 CHADMN CCc1ccc(CN2CC[C@H](n3cc(Cl)cn3)C2)s1 ZINC000576677527 335233544 /nfs/dbraw/zinc/23/35/44/335233544.db2.gz WCBFDAZMOPVDBC-LBPRGKRZSA-N 0 1 295.839 3.607 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000576685384 335234509 /nfs/dbraw/zinc/23/45/09/335234509.db2.gz VSGAFUJMRFDEQE-GDBMZVCRSA-N 0 1 281.440 3.780 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1cccc2[nH]ccc21 ZINC000176157241 335246771 /nfs/dbraw/zinc/24/67/71/335246771.db2.gz SWXSGMRUXCGPDH-UHFFFAOYSA-N 0 1 286.718 3.779 20 0 CHADMN COc1ccc(C[N@@H+](C)[C@H](C)C2CC2)c(Br)c1 ZINC000576984888 335273694 /nfs/dbraw/zinc/27/36/94/335273694.db2.gz XEVHJVPMIBDRFL-SNVBAGLBSA-N 0 1 298.224 3.688 20 0 CHADMN COc1ccc(CN(C)[C@H](C)C2CC2)c(Br)c1 ZINC000576984888 335273696 /nfs/dbraw/zinc/27/36/96/335273696.db2.gz XEVHJVPMIBDRFL-SNVBAGLBSA-N 0 1 298.224 3.688 20 0 CHADMN Cc1cnc(CCN(C)Cc2ccc(F)cc2F)c(C)c1 ZINC000577059554 335292815 /nfs/dbraw/zinc/29/28/15/335292815.db2.gz XOBHIWZRQYKSQE-UHFFFAOYSA-N 0 1 290.357 3.651 20 0 CHADMN Cc1nc2c(n1Cc1sccc1Cl)CCCC2 ZINC000380017513 335296798 /nfs/dbraw/zinc/29/67/98/335296798.db2.gz MBHZTDZYHIGDLT-UHFFFAOYSA-N 0 1 266.797 3.834 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](C)[C@H]1C)c1nc(-c2cccc(F)c2)no1 ZINC000577091441 335298486 /nfs/dbraw/zinc/29/84/86/335298486.db2.gz PMWMWDOYGRJJSG-NJBDSQKTSA-N 0 1 289.354 3.571 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](C)[C@@H]1C)c1nc(-c2cccc(F)c2)no1 ZINC000577091439 335298527 /nfs/dbraw/zinc/29/85/27/335298527.db2.gz PMWMWDOYGRJJSG-AYGWYOGXSA-N 0 1 289.354 3.571 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000577183890 335318424 /nfs/dbraw/zinc/31/84/24/335318424.db2.gz FSWHVMKQZBYPIQ-CYBMUJFWSA-N 0 1 293.407 3.798 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](CC1CCC1)C(C)C ZINC000577226872 335326432 /nfs/dbraw/zinc/32/64/32/335326432.db2.gz UWIMLBGEVRSPGT-UHFFFAOYSA-N 0 1 281.421 3.765 20 0 CHADMN CC(C)(CF)NCc1ccc(Cl)c(Br)c1 ZINC000380125889 335326872 /nfs/dbraw/zinc/32/68/72/335326872.db2.gz RTZVUIUFVKPHFD-UHFFFAOYSA-N 0 1 294.595 3.940 20 0 CHADMN C[C@H](c1ccc(F)cc1)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000577326597 335338981 /nfs/dbraw/zinc/33/89/81/335338981.db2.gz PJFOCSYPJLOEAW-GHMZBOCLSA-N 0 1 257.299 3.864 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CCC(F)(F)[C@H](C)C1 ZINC000577326597 335338982 /nfs/dbraw/zinc/33/89/82/335338982.db2.gz PJFOCSYPJLOEAW-GHMZBOCLSA-N 0 1 257.299 3.864 20 0 CHADMN CN(Cc1nc(C(C)(C)C)cs1)C1CCCC1 ZINC000176899702 335339262 /nfs/dbraw/zinc/33/92/62/335339262.db2.gz UXMPNDZOKYULRN-UHFFFAOYSA-N 0 1 252.427 3.815 20 0 CHADMN CC[C@H](N[C@H](C)c1ccoc1)c1ccc2c(c1)OCCO2 ZINC000178481181 335434094 /nfs/dbraw/zinc/43/40/94/335434094.db2.gz CEYMHKXCEYRHAR-DOMZBBRYSA-N 0 1 287.359 3.853 20 0 CHADMN CC(C)c1ccoc1-c1noc(-c2ccc3cncn3c2)n1 ZINC000350521161 335509552 /nfs/dbraw/zinc/50/95/52/335509552.db2.gz RVTIPJSCXLGPCH-UHFFFAOYSA-N 0 1 294.314 3.768 20 0 CHADMN C[C@H](c1nc(-c2ccc(Cl)o2)no1)N1[C@H](C)CC[C@H]1C ZINC000350911450 335547401 /nfs/dbraw/zinc/54/74/01/335547401.db2.gz RFRRLIYRZHZDLN-OPRDCNLKSA-N 0 1 295.770 3.917 20 0 CHADMN CCc1oc(-c2nc(-c3ccn4cncc4c3)no2)cc1C ZINC000351106112 335568090 /nfs/dbraw/zinc/56/80/90/335568090.db2.gz SOWGTBZKOISGDI-UHFFFAOYSA-N 0 1 294.314 3.515 20 0 CHADMN C[C@H](c1nc(C2CC(F)(F)C2)no1)N1[C@H](C)CC[C@H]1C ZINC000351118926 335569432 /nfs/dbraw/zinc/56/94/32/335569432.db2.gz BLPBZZGXNZVFOY-OPRDCNLKSA-N 0 1 285.338 3.516 20 0 CHADMN C[C@@H](NCCOC(C)(C)C)c1c(F)cccc1Cl ZINC000181735402 335781648 /nfs/dbraw/zinc/78/16/48/335781648.db2.gz XFMCJAWELUHGLL-SNVBAGLBSA-N 0 1 273.779 3.945 20 0 CHADMN C[C@@H](N[C@@H](c1ccccc1)C1CCC1)c1nccn1C ZINC000182815062 335844938 /nfs/dbraw/zinc/84/49/38/335844938.db2.gz KCQWSKGMACHMIM-CJNGLKHVSA-N 0 1 269.392 3.612 20 0 CHADMN C[C@H](NCc1c(F)cccc1F)[C@@H]1COc2ccccc21 ZINC000185648709 335954932 /nfs/dbraw/zinc/95/49/32/335954932.db2.gz CWUVXKPKHIXJGL-FZMZJTMJSA-N 0 1 289.325 3.619 20 0 CHADMN COc1ccc(F)c(CNc2ccc3c(c2)nc(C)n3C)c1 ZINC000580940703 335986742 /nfs/dbraw/zinc/98/67/42/335986742.db2.gz JHXNIKNLEZJDOF-UHFFFAOYSA-N 0 1 299.349 3.642 20 0 CHADMN FC(F)(F)C1CN(CCCc2ccc(Cl)cc2)C1 ZINC000581038794 335999411 /nfs/dbraw/zinc/99/94/11/335999411.db2.gz YNHZHFMWADJCED-UHFFFAOYSA-N 0 1 277.717 3.767 20 0 CHADMN C[C@@H](N[C@H]1CCC1(C)C)c1nc(-c2ccccc2)no1 ZINC000581182730 336020633 /nfs/dbraw/zinc/02/06/33/336020633.db2.gz NTRZGLVFEAJRQN-YPMHNXCESA-N 0 1 271.364 3.576 20 0 CHADMN CC[C@H](C)CN(C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000581259254 336033679 /nfs/dbraw/zinc/03/36/79/336033679.db2.gz DJSDBFDTGLGTFT-VIFPVBQESA-N 0 1 289.297 3.529 20 0 CHADMN CCc1ccc(CNC(C)(C)c2ccccc2)nc1 ZINC000380930509 336040061 /nfs/dbraw/zinc/04/00/61/336040061.db2.gz VBFFPNPAGVCOCF-UHFFFAOYSA-N 0 1 254.377 3.669 20 0 CHADMN COC(=O)c1sccc1CN1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000381126668 336050896 /nfs/dbraw/zinc/05/08/96/336050896.db2.gz MYQCPZQFYWMAOO-OLZOCXBDSA-N 0 1 293.432 3.545 20 0 CHADMN CCC[C@@H](CN[C@H](c1ccco1)c1ccccc1)OC ZINC000381239999 336056553 /nfs/dbraw/zinc/05/65/53/336056553.db2.gz RSELIIBYKCDTAA-RDJZCZTQSA-N 0 1 273.376 3.774 20 0 CHADMN CC[N@@H+](Cc1cccc(C(=O)[O-])c1Cl)C1CCCC1 ZINC000381479506 336066304 /nfs/dbraw/zinc/06/63/04/336066304.db2.gz FDZCTEXQFCPOES-UHFFFAOYSA-N 0 1 281.783 3.803 20 0 CHADMN CC[C@@H]1CCCN(Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000381725920 336071945 /nfs/dbraw/zinc/07/19/45/336071945.db2.gz SDFSBPQRTSDBNS-GFCCVEGCSA-N 0 1 295.810 3.749 20 0 CHADMN Cc1cccc(CCNCc2nc(C)c3ccccc3n2)c1 ZINC000581528934 336095484 /nfs/dbraw/zinc/09/54/84/336095484.db2.gz GFCSKMFPLWJZBR-UHFFFAOYSA-N 0 1 291.398 3.579 20 0 CHADMN C[C@H]1CCC[N@H+](Cc2cccc([O-])c2Cl)[C@H]1C ZINC000383184834 336105616 /nfs/dbraw/zinc/10/56/16/336105616.db2.gz QOYRZIRJYGCMEQ-QWRGUYRKSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cccc([O-])c2Cl)[C@H]1C ZINC000383184834 336105617 /nfs/dbraw/zinc/10/56/17/336105617.db2.gz QOYRZIRJYGCMEQ-QWRGUYRKSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H](C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000384286318 336123284 /nfs/dbraw/zinc/12/32/84/336123284.db2.gz CVCXXIDSCGRVCX-AWEZNQCLSA-N 0 1 295.382 3.547 20 0 CHADMN Cc1nc2c(n1C[C@H](C)c1ccccc1)CCCC2 ZINC000384684248 336129056 /nfs/dbraw/zinc/12/90/56/336129056.db2.gz BBAJDYVZJXFVDB-ZDUSSCGKSA-N 0 1 254.377 3.874 20 0 CHADMN CC1(C)CN(Cc2cnn(Cc3ccccc3)c2)[C@H]1C1CC1 ZINC000581856267 336152031 /nfs/dbraw/zinc/15/20/31/336152031.db2.gz LZFUQYVICUKLKG-SFHVURJKSA-N 0 1 295.430 3.552 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000581949244 336175106 /nfs/dbraw/zinc/17/51/06/336175106.db2.gz UQXHWDFDWZSZDZ-ZFWWWQNUSA-N 0 1 299.370 3.746 20 0 CHADMN CC[C@@H](C)[N@@H+](Cc1occc1C(=O)[O-])Cc1ccccc1 ZINC000387242809 336190411 /nfs/dbraw/zinc/19/04/11/336190411.db2.gz OYAWEVWDUYOKLE-CYBMUJFWSA-N 0 1 287.359 3.779 20 0 CHADMN CC(C)CN(C)Cc1nc2ccccc2n1C(F)F ZINC000299459104 519709215 /nfs/dbraw/zinc/70/92/15/519709215.db2.gz YQEYMKSOUIPFFN-UHFFFAOYSA-N 0 1 267.323 3.519 20 0 CHADMN C[C@H]1CC[C@@H](c2ccccc2)N(Cc2n[nH]c(C3CC3)n2)C1 ZINC000352808823 533719402 /nfs/dbraw/zinc/71/94/02/533719402.db2.gz ZQMVGQRJDVUGRX-BBRMVZONSA-N 0 1 296.418 3.655 20 0 CHADMN C[C@@H]1CCCN1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000353586524 533719644 /nfs/dbraw/zinc/71/96/44/533719644.db2.gz DATFZFCZWQGONH-SECBINFHSA-N 0 1 261.262 3.829 20 0 CHADMN CCOCC(C)(C)NCc1csc(C2CCCC2)n1 ZINC000339382738 521670762 /nfs/dbraw/zinc/67/07/62/521670762.db2.gz MMTAPPXDVHXULF-UHFFFAOYSA-N 0 1 282.453 3.705 20 0 CHADMN CCOCC(C)(C)NCc1csc(CCC(C)C)n1 ZINC000339373669 521670789 /nfs/dbraw/zinc/67/07/89/521670789.db2.gz YBROUDUFLBCQDN-UHFFFAOYSA-N 0 1 284.469 3.636 20 0 CHADMN C[C@H]1CC[C@]2(CCN(Cc3ncc(C4CC4)o3)C2)C1 ZINC000334889719 533773482 /nfs/dbraw/zinc/77/34/82/533773482.db2.gz BXARAPNGJDSMSZ-LRDDRELGSA-N 0 1 260.381 3.564 20 0 CHADMN C[C@H](NC[C@H]1CCSC1)c1nc(C2CCCCC2)no1 ZINC000330178992 533907020 /nfs/dbraw/zinc/90/70/20/533907020.db2.gz MBGJFMKGGSLNMV-NWDGAFQWSA-N 0 1 295.452 3.521 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)cn1 ZINC000336227804 533949832 /nfs/dbraw/zinc/94/98/32/533949832.db2.gz AKGOEBCJLNTRQD-AAEUAGOBSA-N 0 1 272.314 3.553 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c(F)cccc21)c1ccccn1 ZINC000336213406 533986708 /nfs/dbraw/zinc/98/67/08/533986708.db2.gz RCSSYSSFHLZLFU-YVEFUNNKSA-N 0 1 270.351 3.949 20 0 CHADMN CS[C@@H]1CC[C@H]1N[C@H](c1ccccc1)c1ccccn1 ZINC000352781252 534006787 /nfs/dbraw/zinc/00/67/87/534006787.db2.gz AQOBJFXXPFQWEA-DJIMGWMZSA-N 0 1 284.428 3.655 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCCC2(CC2)C1 ZINC000352274466 534043675 /nfs/dbraw/zinc/04/36/75/534043675.db2.gz MEUNOIGRFNNYQS-NSHDSACASA-N 0 1 251.320 3.902 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CCCC2(CC2)C1 ZINC000352280758 534063412 /nfs/dbraw/zinc/06/34/12/534063412.db2.gz URPZSPATGXLEEH-NSHDSACASA-N 0 1 251.320 3.902 20 0 CHADMN Cc1ccc(CN[C@H]2CCCc3c(F)cc(F)cc32)nc1 ZINC000334762995 534090533 /nfs/dbraw/zinc/09/05/33/534090533.db2.gz JYOIOQCDCIKNGQ-KRWDZBQOSA-N 0 1 288.341 3.835 20 0 CHADMN C[C@@H](c1ccccc1)N(Cc1nccn1C)C1CCCC1 ZINC000347700326 534104984 /nfs/dbraw/zinc/10/49/84/534104984.db2.gz BUCFXEUWZUZWDR-HNNXBMFYSA-N 0 1 283.419 3.926 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)CC1CCCCC1 ZINC000332595591 534128106 /nfs/dbraw/zinc/12/81/06/534128106.db2.gz NGEPBZMBPRMWPY-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C[C@@H](C)CC(C)C ZINC000481358384 534128624 /nfs/dbraw/zinc/12/86/24/534128624.db2.gz HDBBZVRKDNRLGX-NSHDSACASA-N 0 1 273.380 3.882 20 0 CHADMN C[C@H]1OCC[C@]1(C)NCc1csc(-c2ccsc2)n1 ZINC000344376242 534129915 /nfs/dbraw/zinc/12/99/15/534129915.db2.gz QKHHPTURNLQVJV-YGRLFVJLSA-N 0 1 294.445 3.529 20 0 CHADMN C[C@]1(NCc2ccncc2F)CCCc2ccccc21 ZINC000336221242 534179801 /nfs/dbraw/zinc/17/98/01/534179801.db2.gz SRYFHYVOBNXWLY-KRWDZBQOSA-N 0 1 270.351 3.562 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1cc(Br)cs1 ZINC000354990443 534228260 /nfs/dbraw/zinc/22/82/60/534228260.db2.gz CANBUECDARPAHT-DTORHVGOSA-N 0 1 274.227 3.883 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356109787 534233279 /nfs/dbraw/zinc/23/32/79/534233279.db2.gz AKTRWRVQBXAVAC-VHSXEESVSA-N 0 1 273.298 3.641 20 0 CHADMN Cc1ccn2c(CN3Cc4ccccc4C[C@H]3C)cnc2c1 ZINC000353667105 534346098 /nfs/dbraw/zinc/34/60/98/534346098.db2.gz SMOOORVUHHOIBU-OAHLLOKOSA-N 0 1 291.398 3.590 20 0 CHADMN C/C(=C\c1nc([C@H](N)CC(C)C)no1)c1ccccc1 ZINC000339388100 518448992 /nfs/dbraw/zinc/44/89/92/518448992.db2.gz SURWSYVFFPRXLL-IEZBTEQYSA-N 0 1 271.364 3.676 20 0 CHADMN CC(C)(C)C[N@@H+](CCCCC(=O)[O-])Cc1ccccc1 ZINC000262231455 518661495 /nfs/dbraw/zinc/66/14/95/518661495.db2.gz MIIDEOXRDZVCJG-UHFFFAOYSA-N 0 1 277.408 3.790 20 0 CHADMN CC(C)(C)c1nc(CN2CCC[C@H]2c2ccsc2)n[nH]1 ZINC000292628020 519097080 /nfs/dbraw/zinc/09/70/80/519097080.db2.gz NHVAOWMJSSBYTK-LBPRGKRZSA-N 0 1 290.436 3.501 20 0 CHADMN CC(C)C[C@@H](N)c1noc(C[C@@H](C)c2cccc(F)c2)n1 ZINC000339398766 519231919 /nfs/dbraw/zinc/23/19/19/519231919.db2.gz XGIIQPLULAXTMH-BXUZGUMPSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)C[C@@H](N)c1noc(CCc2ccccc2Cl)n1 ZINC000339388539 519232815 /nfs/dbraw/zinc/23/28/15/519232815.db2.gz DMYGSTDMBMPNRE-CYBMUJFWSA-N 0 1 293.798 3.554 20 0 CHADMN CC(C)C[C@@H]1CCCN(Cc2ncc(C3CC3)o2)C1 ZINC000340688888 519265059 /nfs/dbraw/zinc/26/50/59/519265059.db2.gz KSPGKZUHQBYITN-ZDUSSCGKSA-N 0 1 262.397 3.810 20 0 CHADMN CC(C)(CNCc1cocn1)c1ccc(C(F)(F)F)cc1 ZINC000277041773 519267398 /nfs/dbraw/zinc/26/73/98/519267398.db2.gz PHAPNFCKUSKJEW-UHFFFAOYSA-N 0 1 298.308 3.761 20 0 CHADMN CC(C)(NCc1cccc2c1OCO2)c1cccc(F)c1 ZINC000076902004 519325219 /nfs/dbraw/zinc/32/52/19/519325219.db2.gz SUPFEXSGMHQNSU-UHFFFAOYSA-N 0 1 287.334 3.579 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cccc(C(F)(F)F)c2)n1 ZINC000339387870 519371928 /nfs/dbraw/zinc/37/19/28/519371928.db2.gz QCNPLBQXMKIHMV-NSHDSACASA-N 0 1 299.296 3.801 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2scnc2C(C)(C)C)n1 ZINC000339395469 519374827 /nfs/dbraw/zinc/37/48/27/519374827.db2.gz QZRXHTMWXQTVKC-VIFPVBQESA-N 0 1 294.424 3.537 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H](C)c2ccc(F)c(F)c2)n1 ZINC000339397885 519381103 /nfs/dbraw/zinc/38/11/03/519381103.db2.gz UCOGZMYTSNSKMJ-RNCFNFMXSA-N 0 1 295.333 3.546 20 0 CHADMN CC(C)C1(CN[C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000128020521 519553383 /nfs/dbraw/zinc/55/33/83/519553383.db2.gz BUVCYNHATVTMKJ-OAHLLOKOSA-N 0 1 269.392 3.525 20 0 CHADMN CC(C)N(C(=O)c1ccc2cncn2c1)c1ccc(F)cc1 ZINC000340748129 519578537 /nfs/dbraw/zinc/57/85/37/519578537.db2.gz UUOUMDROGDYRNW-UHFFFAOYSA-N 0 1 297.333 3.529 20 0 CHADMN CC(C)CCCNCc1ncc(-c2ccccc2)cn1 ZINC000276253824 519641839 /nfs/dbraw/zinc/64/18/39/519641839.db2.gz PFKCJTCWHXRWEZ-UHFFFAOYSA-N 0 1 269.392 3.669 20 0 CHADMN CC(=O)Nc1ccccc1CN1CCc2cccc(C)c2C1 ZINC000277620238 519750436 /nfs/dbraw/zinc/75/04/36/519750436.db2.gz XDBLQPIOJOYLPN-UHFFFAOYSA-N 0 1 294.398 3.512 20 0 CHADMN CC(C)Oc1cccc([C@H](C)NCc2ccc(F)cn2)c1 ZINC000276196223 519783709 /nfs/dbraw/zinc/78/37/09/519783709.db2.gz JAODWYNPYGSOQE-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1ccc(Br)o1 ZINC000307038364 519802545 /nfs/dbraw/zinc/80/25/45/519802545.db2.gz PGHRYOLMNANTLW-NSHDSACASA-N 0 1 272.186 3.663 20 0 CHADMN CC(C)c1ccc(C(=O)Nc2cccc(Cl)c2O)cn1 ZINC000340320665 519835293 /nfs/dbraw/zinc/83/52/93/519835293.db2.gz YLUGPHDWZOEWMO-UHFFFAOYSA-N 0 1 290.750 3.816 20 0 CHADMN CCCC1CCN(Cc2ccnc(Cl)c2)CC1 ZINC000052717514 519901996 /nfs/dbraw/zinc/90/19/96/519901996.db2.gz ILMUTCMZOZZDOI-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN CCN(C(=O)c1cc(C)cc2c[nH]nc21)C1CCCCC1 ZINC000338675803 520062558 /nfs/dbraw/zinc/06/25/58/520062558.db2.gz FHHLWPRQUTUBOK-UHFFFAOYSA-N 0 1 285.391 3.666 20 0 CHADMN CCCCCC[C@H](C)NCc1ncc(C(F)(F)F)cn1 ZINC000294990175 520130534 /nfs/dbraw/zinc/13/05/34/520130534.db2.gz KNWWUGUPLCCOMY-NSHDSACASA-N 0 1 289.345 3.944 20 0 CHADMN CCCOc1ccc(CNCc2ccc(COC)o2)cc1 ZINC000125619439 520368527 /nfs/dbraw/zinc/36/85/27/520368527.db2.gz CXHNUUULNBNSIJ-UHFFFAOYSA-N 0 1 289.375 3.505 20 0 CHADMN CCCOc1ccc([C@H](C)N[C@H](C)c2ccnn2C)cc1 ZINC000278152238 520428893 /nfs/dbraw/zinc/42/88/93/520428893.db2.gz AEWQRAMHNWJUFA-UONOGXRCSA-N 0 1 287.407 3.621 20 0 CHADMN CC1(C)C[C@H]1N[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000273385534 520571489 /nfs/dbraw/zinc/57/14/89/520571489.db2.gz RSQXRFKEIBNNPA-CVEARBPZSA-N 0 1 270.351 3.698 20 0 CHADMN CCN(CC)CC(=O)Nc1ccccc1-c1cccs1 ZINC000299372402 520584623 /nfs/dbraw/zinc/58/46/23/520584623.db2.gz JANZBJXZXAINDA-UHFFFAOYSA-N 0 1 288.416 3.695 20 0 CHADMN CC1(CN[C@H](c2ncc[nH]2)c2ccccc2)CCCC1 ZINC000127882597 520735589 /nfs/dbraw/zinc/73/55/89/520735589.db2.gz DONGBCWZMAPMGA-HNNXBMFYSA-N 0 1 269.392 3.669 20 0 CHADMN CCN(CC)Cc1csc(-c2ccccc2OC)n1 ZINC000078502580 520760484 /nfs/dbraw/zinc/76/04/84/520760484.db2.gz HDYDRSVLGIIQLC-UHFFFAOYSA-N 0 1 276.405 3.661 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263558757 520900531 /nfs/dbraw/zinc/90/05/31/520900531.db2.gz AKYVQXOXXVDQRT-XJKSGUPXSA-N 0 1 275.392 3.785 20 0 CHADMN CC1CCC(=CC(=O)Nc2ccccc2-c2nnc[nH]2)CC1 ZINC000270375679 520910177 /nfs/dbraw/zinc/91/01/77/520910177.db2.gz UBTLQEJGQOJHEA-UHFFFAOYSA-N 0 1 296.374 3.547 20 0 CHADMN CCCC[C@@H](C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000337291110 520995227 /nfs/dbraw/zinc/99/52/27/520995227.db2.gz LMTZCBYUQPCOCM-SNVBAGLBSA-N 0 1 259.353 3.636 20 0 CHADMN CCCC[C@H](C)N(C)Cc1nnc(-c2ccccc2)o1 ZINC000289965911 521143660 /nfs/dbraw/zinc/14/36/60/521143660.db2.gz QWJQWBAYGRPGAA-ZDUSSCGKSA-N 0 1 273.380 3.747 20 0 CHADMN Cc1nc([C@@H](C)NCC(C)(C)c2ncccc2C)cs1 ZINC000353572961 534541669 /nfs/dbraw/zinc/54/16/69/534541669.db2.gz GHYIOOOYCCOWCT-GFCCVEGCSA-N 0 1 289.448 3.783 20 0 CHADMN CCCC[C@H](C)[C@@H](C)NCc1nccc(C(F)F)n1 ZINC000290343491 521153058 /nfs/dbraw/zinc/15/30/58/521153058.db2.gz POHMMWDXNHBXBR-WDEREUQCSA-N 0 1 271.355 3.719 20 0 CHADMN Cc1nc([C@@H](C)NCCCOc2ccccc2C)cs1 ZINC000348006316 534542302 /nfs/dbraw/zinc/54/23/02/534542302.db2.gz HEIVJMQEQLTKRD-CYBMUJFWSA-N 0 1 290.432 3.880 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1ccc(Cl)nc1 ZINC000069220657 521327461 /nfs/dbraw/zinc/32/74/61/521327461.db2.gz LWFQEAVEQFWARL-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN CCOc1cccc(CNCc2cc(F)cc(F)c2)c1 ZINC000069673313 521368323 /nfs/dbraw/zinc/36/83/23/521368323.db2.gz XHTJBVLKCNDOGS-UHFFFAOYSA-N 0 1 277.314 3.653 20 0 CHADMN CCCc1nc(C)c(CNCc2ccc(C)c(C)c2)o1 ZINC000291748422 521496997 /nfs/dbraw/zinc/49/69/97/521496997.db2.gz PVFVIDUAGPNDQF-UHFFFAOYSA-N 0 1 272.392 3.842 20 0 CHADMN CCOC1CC(NCc2cc(Cl)sc2Cl)C1 ZINC000309653200 521652044 /nfs/dbraw/zinc/65/20/44/521652044.db2.gz OWEKLOUQYQETDO-UHFFFAOYSA-N 0 1 280.220 3.712 20 0 CHADMN CCC(O)(CC)CCN[C@H](c1ccccc1)c1ccccn1 ZINC000276660582 521652056 /nfs/dbraw/zinc/65/20/56/521652056.db2.gz NQHYMSBPIMDKLU-GOSISDBHSA-N 0 1 298.430 3.702 20 0 CHADMN CCCn1nc(C)c(CN2CCC[C@H]2c2ccc[nH]2)c1C ZINC000127431380 521668650 /nfs/dbraw/zinc/66/86/50/521668650.db2.gz LOIXPCMWOPWQRA-KRWDZBQOSA-N 0 1 286.423 3.575 20 0 CHADMN CCOCC(C)(C)NCc1nc(-c2ccccc2)oc1C ZINC000293347153 521670847 /nfs/dbraw/zinc/67/08/47/521670847.db2.gz SVMXMPZPVVBMKO-UHFFFAOYSA-N 0 1 288.391 3.555 20 0 CHADMN CCSCCCNc1ccnc2cc(F)ccc21 ZINC000336935528 521705660 /nfs/dbraw/zinc/70/56/60/521705660.db2.gz TYWPZXKLMDLMIL-UHFFFAOYSA-N 0 1 264.369 3.929 20 0 CHADMN CCS[C@H](c1nc([C@H](N)CC(C)C)no1)C(C)C ZINC000339390019 521730105 /nfs/dbraw/zinc/73/01/05/521730105.db2.gz GICQSAANCBZVOB-MNOVXSKESA-N 0 1 271.430 3.566 20 0 CHADMN CCSc1cccc(CN[C@H](C)c2nccnc2C)c1 ZINC000293227902 521759974 /nfs/dbraw/zinc/75/99/74/521759974.db2.gz ARLUXFJQZAHESH-CYBMUJFWSA-N 0 1 287.432 3.748 20 0 CHADMN CC[C@H](C)[C@H](C)N(C(=O)c1cccc2[nH]c(C)nc21)C1CC1 ZINC000338535216 521922132 /nfs/dbraw/zinc/92/21/32/521922132.db2.gz FXRJGYSLUMZASJ-RYUDHWBXSA-N 0 1 299.418 3.911 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2ccccc2)n[nH]1 ZINC000277371976 522051429 /nfs/dbraw/zinc/05/14/29/522051429.db2.gz WZEVKSXMGCPJFB-YNEHKIRRSA-N 0 1 272.396 3.730 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2cccc(Cl)c2)n[nH]1 ZINC000277549100 522051511 /nfs/dbraw/zinc/05/15/11/522051511.db2.gz ZYBRPQBQUAYARA-WDEREUQCSA-N 0 1 292.814 3.822 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2cc3ccccc3o2)n[nH]1 ZINC000277148136 522053188 /nfs/dbraw/zinc/05/31/88/522053188.db2.gz FMRXWCZKWKPMFS-NWDGAFQWSA-N 0 1 298.390 3.915 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2cccc(F)c2)n[nH]1 ZINC000277382091 522056532 /nfs/dbraw/zinc/05/65/32/522056532.db2.gz XQJDVFDCSOVGCP-SRVKXCTJSA-N 0 1 290.386 3.869 20 0 CHADMN COC(=O)c1ccc([C@@H](C)N[C@H](C)c2ccccc2C)o1 ZINC000223597149 522159723 /nfs/dbraw/zinc/15/97/23/522159723.db2.gz KPRZWMZAJVYXLZ-CHWSQXEVSA-N 0 1 287.359 3.786 20 0 CHADMN CC[C@H](COC)NCc1csc(Cl)c1Cl ZINC000309187063 522260101 /nfs/dbraw/zinc/26/01/01/522260101.db2.gz OZXACTJXDGPQCG-MRVPVSSYSA-N 0 1 268.209 3.570 20 0 CHADMN COC[C@@H](N[C@@H](c1ccc(C)cc1)c1ccccn1)C(C)C ZINC000279959600 522375478 /nfs/dbraw/zinc/37/54/78/522375478.db2.gz CGKMUNLCMJWAIS-MOPGFXCFSA-N 0 1 298.430 3.740 20 0 CHADMN COC[C@@H](N[C@H](C)c1cccnc1)c1cccc(Cl)c1 ZINC000290504824 522382205 /nfs/dbraw/zinc/38/22/05/522382205.db2.gz YHPQKATWFIDIOV-MLGOLLRUSA-N 0 1 290.794 3.773 20 0 CHADMN CC[C@@H](C)[C@H]1CCCCN1Cc1csc(NC(C)=O)n1 ZINC000265814057 522403418 /nfs/dbraw/zinc/40/34/18/522403418.db2.gz JWOWBWAUMGBZET-BXUZGUMPSA-N 0 1 295.452 3.502 20 0 CHADMN COC(=O)c1occc1CN1C[C@H](C)C[C@H]1c1ccccc1 ZINC000353220021 522412606 /nfs/dbraw/zinc/41/26/06/522412606.db2.gz OTQKIWREPQISBC-CJNGLKHVSA-N 0 1 299.370 3.649 20 0 CHADMN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCCC1 ZINC000043304376 522433639 /nfs/dbraw/zinc/43/36/39/522433639.db2.gz XUXQDRYPQXUITI-KGLIPLIRSA-N 0 1 274.408 3.623 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2cc(C)ccc2C)n[nH]1 ZINC000277159067 522438575 /nfs/dbraw/zinc/43/85/75/522438575.db2.gz GNTWELWDRXRFQV-OCCSQVGLSA-N 0 1 286.423 3.786 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2ccc(C)c(F)c2)n[nH]1 ZINC000277163703 522442505 /nfs/dbraw/zinc/44/25/05/522442505.db2.gz HACLQDBCTHLLQO-PWSUYJOCSA-N 0 1 290.386 3.617 20 0 CHADMN CC[C@H](NC(=O)c1[nH]nc(C)c1C)c1cccc(Cl)c1 ZINC000265211295 522551228 /nfs/dbraw/zinc/55/12/28/522551228.db2.gz LEORNNPFDOUXBD-ZDUSSCGKSA-N 0 1 291.782 3.561 20 0 CHADMN CC[C@H](NCc1ccc(C2CCC2)cc1)c1nccn1C ZINC000277140497 522644763 /nfs/dbraw/zinc/64/47/63/522644763.db2.gz CVHRJNCWKQGAKI-KRWDZBQOSA-N 0 1 283.419 3.929 20 0 CHADMN CC[C@H](NCc1ccc(CO)o1)c1ccc(Cl)s1 ZINC000266206826 522645068 /nfs/dbraw/zinc/64/50/68/522645068.db2.gz MWZAOKJQGRZLDP-NSHDSACASA-N 0 1 285.796 3.728 20 0 CHADMN CC[C@H](NCc1cncc(C)c1)c1ccc(F)cc1F ZINC000131115375 522664635 /nfs/dbraw/zinc/66/46/35/522664635.db2.gz AMXCADNBAILRCO-INIZCTEOSA-N 0 1 276.330 3.909 20 0 CHADMN COC1CCN([C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000299002688 522706453 /nfs/dbraw/zinc/70/64/53/522706453.db2.gz BKFPUHJWLYUZJK-JTQLQIEISA-N 0 1 271.763 3.651 20 0 CHADMN CC[C@@H](NCc1n[nH]cc1C)c1ccc(Cl)cc1 ZINC000289832950 522891861 /nfs/dbraw/zinc/89/18/61/522891861.db2.gz JVNFJPLHBHGOLL-CYBMUJFWSA-N 0 1 263.772 3.612 20 0 CHADMN CC[C@@H](N[C@@H](C(=O)N(C)C)c1ccccc1)c1ccccc1 ZINC000265287830 522907769 /nfs/dbraw/zinc/90/77/69/522907769.db2.gz YQXFUPJGOIAZEU-QZTJIDSGSA-N 0 1 296.414 3.557 20 0 CHADMN CCc1noc([C@H](C)N[C@@H]2CCC[C@H]2c2ccccc2)n1 ZINC000275640861 522915861 /nfs/dbraw/zinc/91/58/61/522915861.db2.gz RYOQERRXYDGYQW-AEGPPILISA-N 0 1 285.391 3.619 20 0 CHADMN CC[C@@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1cccc(F)c1 ZINC000275916595 522916596 /nfs/dbraw/zinc/91/65/96/522916596.db2.gz VJCYRZKTOPQEDA-SMDDNHRTSA-N 0 1 290.386 3.869 20 0 CHADMN CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226396675 522931041 /nfs/dbraw/zinc/93/10/41/522931041.db2.gz NXJIPAKUIDOUTK-TZMCWYRMSA-N 0 1 281.783 3.588 20 0 CHADMN COCC1CCN(c2cc(C)nc3ccc(F)cc32)CC1 ZINC000125724684 522938348 /nfs/dbraw/zinc/93/83/48/522938348.db2.gz IXJWQYIDEKIIKS-UHFFFAOYSA-N 0 1 288.366 3.545 20 0 CHADMN CC[C@@H](N[C@H](C)c1cn[nH]c1)c1ccc(Cl)s1 ZINC000271461007 522941409 /nfs/dbraw/zinc/94/14/09/522941409.db2.gz HJXPCHFUJRFDPK-PSASIEDQSA-N 0 1 269.801 3.927 20 0 CHADMN CCc1nocc1CNCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000339235489 522947337 /nfs/dbraw/zinc/94/73/37/522947337.db2.gz IJLQZLGICYXOJP-UHFFFAOYSA-N 0 1 297.402 3.933 20 0 CHADMN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnc(C)[nH]1 ZINC000264853314 522949028 /nfs/dbraw/zinc/94/90/28/522949028.db2.gz NLLRWPQENMOBOA-NVXWUHKLSA-N 0 1 297.402 3.517 20 0 CHADMN COCc1ccc(CN2CCC(c3ccsc3)CC2)o1 ZINC000275318827 522972787 /nfs/dbraw/zinc/97/27/87/522972787.db2.gz SQBDTQCJQKAYLQ-UHFFFAOYSA-N 0 1 291.416 3.867 20 0 CHADMN COCc1ccc(CN2CCOc3ccc(C)cc3C2)cc1 ZINC000339193246 522976550 /nfs/dbraw/zinc/97/65/50/522976550.db2.gz DCBNFNYHUZDHKN-UHFFFAOYSA-N 0 1 297.398 3.536 20 0 CHADMN CC[C@H](c1nc([C@@H](N)CC(C)C)no1)c1ccccc1 ZINC000339389748 522977327 /nfs/dbraw/zinc/97/73/27/522977327.db2.gz SYXSLGNJFGNGKW-KBPBESRZSA-N 0 1 273.380 3.657 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2ccc(C)o2)cc1 ZINC000088567337 522990479 /nfs/dbraw/zinc/99/04/79/522990479.db2.gz LELZCQKADGEXKP-ZDUSSCGKSA-N 0 1 259.349 3.585 20 0 CHADMN CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000281151125 523033629 /nfs/dbraw/zinc/03/36/29/523033629.db2.gz JZHBDTQIDVOLPE-STQMWFEESA-N 0 1 298.390 3.627 20 0 CHADMN CC[C@H]1CCCN1Cc1nnc(-c2ccccc2Cl)o1 ZINC000363503122 523112801 /nfs/dbraw/zinc/11/28/01/523112801.db2.gz ZHUCTLVNCRITGU-NSHDSACASA-N 0 1 291.782 3.764 20 0 CHADMN CC[C@@H]1CCCCCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000338571750 523146372 /nfs/dbraw/zinc/14/63/72/523146372.db2.gz GHDWCXPIDAIDLT-CYBMUJFWSA-N 0 1 285.391 3.666 20 0 CHADMN CC[C@@H]1CCCN1CC(=O)c1c(C)[nH]c2ccccc21 ZINC000340688599 523266327 /nfs/dbraw/zinc/26/63/27/523266327.db2.gz OBEIYWGUQLKIRH-CYBMUJFWSA-N 0 1 270.376 3.533 20 0 CHADMN CC[C@@H]1CCN1Cc1ccc(CSC(F)F)o1 ZINC000292791739 523342246 /nfs/dbraw/zinc/34/22/46/523342246.db2.gz MNJMRWGTDZNKMY-SECBINFHSA-N 0 1 261.337 3.720 20 0 CHADMN CCn1cc([C@H](C)NCc2ccccc2C(F)(F)F)cn1 ZINC000061626327 523474799 /nfs/dbraw/zinc/47/47/99/523474799.db2.gz ZCXYLNKOCPXUTO-NSHDSACASA-N 0 1 297.324 3.773 20 0 CHADMN CCn1cc([C@H](C)NCc2ccccc2OC(C)C)cn1 ZINC000129001851 523475576 /nfs/dbraw/zinc/47/55/76/523475576.db2.gz CUZIUDISNNEKBA-AWEZNQCLSA-N 0 1 287.407 3.541 20 0 CHADMN CO[C@@H](C)c1noc(CN2CCCCC[C@@H]2CC(C)C)n1 ZINC000245460006 523484685 /nfs/dbraw/zinc/48/46/85/523484685.db2.gz DYFXHPXKIQAZLT-UONOGXRCSA-N 0 1 295.427 3.568 20 0 CHADMN CN(Cc1nnc(-c2cccc(Cl)c2)o1)CC1CCC1 ZINC000111297306 523608195 /nfs/dbraw/zinc/60/81/95/523608195.db2.gz HYFYRFXYBBWOJH-UHFFFAOYSA-N 0 1 291.782 3.622 20 0 CHADMN COc1ccc(C)cc1CN[C@H](C)c1ccsc1 ZINC000061361280 523812153 /nfs/dbraw/zinc/81/21/53/523812153.db2.gz ZNBGRARYDVCHHF-GFCCVEGCSA-N 0 1 261.390 3.916 20 0 CHADMN Cc1ncc(CN[C@@H]2C[C@H](C)c3c2cccc3C)o1 ZINC000335276349 534745122 /nfs/dbraw/zinc/74/51/22/534745122.db2.gz HILJZLUCDPFZDH-XHDPSFHLSA-N 0 1 256.349 3.630 20 0 CHADMN CCc1ccc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)o1 ZINC000290498722 523926306 /nfs/dbraw/zinc/92/63/06/523926306.db2.gz PABAGMFZGNVGJB-OAHLLOKOSA-N 0 1 273.380 3.519 20 0 CHADMN CO[C@H]1CCN(Cc2cc(C)ccc2OC(F)F)[C@@H](C)C1 ZINC000292956690 523995486 /nfs/dbraw/zinc/99/54/86/523995486.db2.gz VSSDPSCSDHJKPR-JSGCOSHPSA-N 0 1 299.361 3.596 20 0 CHADMN COc1ccc(CN(Cc2cccc(F)c2)C(C)C)nc1 ZINC000338235009 524014793 /nfs/dbraw/zinc/01/47/93/524014793.db2.gz JQTFGWATRDFFLV-UHFFFAOYSA-N 0 1 288.366 3.640 20 0 CHADMN CCc1ccc([C@H](C)NCc2ncccc2N(C)C)s1 ZINC000289698659 524047268 /nfs/dbraw/zinc/04/72/68/524047268.db2.gz IOODGXMUWBWDIJ-LBPRGKRZSA-N 0 1 289.448 3.622 20 0 CHADMN CCc1cccc(CN[C@@H](CCOC)c2ccco2)c1 ZINC000276257120 524070271 /nfs/dbraw/zinc/07/02/71/524070271.db2.gz QOTTXFIMOFMAAG-INIZCTEOSA-N 0 1 273.376 3.709 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(C)oc2C)cc1OC ZINC000020438672 524088952 /nfs/dbraw/zinc/08/89/52/524088952.db2.gz OZSLVJDVCWBWGR-GFCCVEGCSA-N 0 1 289.375 3.764 20 0 CHADMN C[C@H]1CCN(Cc2csc(-c3cccs3)n2)C1 ZINC000299663092 524297980 /nfs/dbraw/zinc/29/79/80/524297980.db2.gz QRIDNCMKYDAJCW-JTQLQIEISA-N 0 1 264.419 3.713 20 0 CHADMN Cc1ccc(CCC(=O)Nc2cccc(Cl)c2O)o1 ZINC000340320666 524302081 /nfs/dbraw/zinc/30/20/81/524302081.db2.gz YMEUYORLPYZKIU-UHFFFAOYSA-N 0 1 279.723 3.518 20 0 CHADMN COc1ccccc1C(C)(C)NCc1sc(C)nc1C ZINC000076868699 524366516 /nfs/dbraw/zinc/36/65/16/524366516.db2.gz NXZKZCGVGYQEHR-UHFFFAOYSA-N 0 1 290.432 3.793 20 0 CHADMN Cc1ccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)nc1 ZINC000156307703 524419206 /nfs/dbraw/zinc/41/92/06/524419206.db2.gz VMWQIUMLQCQBAA-IBGZPJMESA-N 0 1 296.414 3.571 20 0 CHADMN Cc1ccc(CN(Cc2cccnc2)C2CC2)cc1F ZINC000290392109 524419668 /nfs/dbraw/zinc/41/96/68/524419668.db2.gz IWENXCMOQGETHA-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN Cc1cc(C)cc([C@H](C)NCc2cnc([C@@H](C)O)s2)c1 ZINC000290473973 524469994 /nfs/dbraw/zinc/46/99/94/524469994.db2.gz UXPPDFAAERQXLE-QWHCGFSZSA-N 0 1 290.432 3.664 20 0 CHADMN C[C@@H](CCN1CCOC[C@@H]1CC(F)F)c1ccccc1 ZINC000289963233 524486445 /nfs/dbraw/zinc/48/64/45/524486445.db2.gz ZDWQPNPLZOPQRA-ZFWWWQNUSA-N 0 1 283.362 3.536 20 0 CHADMN Cc1cccc2nc(CN3CCC(C)(C4CC4)CC3)cn21 ZINC000352176426 534785434 /nfs/dbraw/zinc/78/54/34/534785434.db2.gz OQFVINFFPOUHKF-UHFFFAOYSA-N 0 1 283.419 3.655 20 0 CHADMN COc1ccccc1CN[C@H]1CCCc2sccc21 ZINC000061324375 524490289 /nfs/dbraw/zinc/49/02/89/524490289.db2.gz VYBNLVMXMOSUHV-AWEZNQCLSA-N 0 1 273.401 3.924 20 0 CHADMN C[C@@H]1CCN(Cc2csc(-c3ccsc3)n2)C1 ZINC000263698285 524515905 /nfs/dbraw/zinc/51/59/05/524515905.db2.gz LAQYMJKDHXQALF-SNVBAGLBSA-N 0 1 264.419 3.713 20 0 CHADMN C[C@@H](CN(C)[C@H](C)c1nc(C2CC2)no1)c1ccccc1 ZINC000263867016 524576295 /nfs/dbraw/zinc/57/62/95/524576295.db2.gz BZCSAWACKGUBML-QWHCGFSZSA-N 0 1 285.391 3.744 20 0 CHADMN Cc1ccc(CNCc2ccc3cc[nH]c3n2)cc1Cl ZINC000353217007 524585315 /nfs/dbraw/zinc/58/53/15/524585315.db2.gz YBGNCNPILVYLOW-UHFFFAOYSA-N 0 1 285.778 3.815 20 0 CHADMN Cc1ccc(CNCc2csc(Br)c2)cn1 ZINC000057591169 524586025 /nfs/dbraw/zinc/58/60/25/524586025.db2.gz RFDQVNHXJVOOPT-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN Cc1cc(CN(Cc2ccc(F)cc2)C(C)C)on1 ZINC000299404503 524669038 /nfs/dbraw/zinc/66/90/38/524669038.db2.gz XAPPWWWDTWSLJT-UHFFFAOYSA-N 0 1 262.328 3.533 20 0 CHADMN Cc1cc(CN(C2CC2)[C@@H]2CCCc3ccccc32)ncn1 ZINC000292356186 524669971 /nfs/dbraw/zinc/66/99/71/524669971.db2.gz FEZPZJQKLZSGNT-LJQANCHMSA-N 0 1 293.414 3.827 20 0 CHADMN Cc1cc(CN([C@@H](C)c2ccccc2)C2CC2)on1 ZINC000299381319 524670842 /nfs/dbraw/zinc/67/08/42/524670842.db2.gz OCYGHXFTPLGALU-ZDUSSCGKSA-N 0 1 256.349 3.709 20 0 CHADMN Cc1cccc(NCC2(c3ccccc3C)CCOCC2)n1 ZINC000157230567 524674442 /nfs/dbraw/zinc/67/44/42/524674442.db2.gz DNNRBSIPYCHMCG-UHFFFAOYSA-N 0 1 296.414 3.859 20 0 CHADMN Cc1cccc(NC[C@@H]2CCCO[C@@H]2C(C)(C)C)n1 ZINC000157625137 524679698 /nfs/dbraw/zinc/67/96/98/524679698.db2.gz XIEQFYGGEQTLGZ-ZFWWWQNUSA-N 0 1 262.397 3.643 20 0 CHADMN Cc1cc(CN2C[C@@H](C)C[C@@H]2c2cccc(F)c2)ncn1 ZINC000292372419 524713200 /nfs/dbraw/zinc/71/32/00/524713200.db2.gz GQLCQDXUTVIAJM-YVEFUNNKSA-N 0 1 285.366 3.507 20 0 CHADMN C[C@H]1CSCCN(Cc2sccc2Cl)C1 ZINC000338539313 524752082 /nfs/dbraw/zinc/75/20/82/524752082.db2.gz FHGGIMILKYGMEG-SECBINFHSA-N 0 1 261.843 3.586 20 0 CHADMN Cc1cc(CNCc2cccc(C(F)(F)F)n2)cs1 ZINC000294913943 524762263 /nfs/dbraw/zinc/76/22/63/524762263.db2.gz YGJMWTQGHHQYDH-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN Cc1cccc([C@@H](C)N2CCOc3cc(O)ccc3C2)c1 ZINC000353156444 524822983 /nfs/dbraw/zinc/82/29/83/524822983.db2.gz RPIIZSYRCDCFBH-CQSZACIVSA-N 0 1 283.371 3.656 20 0 CHADMN Cc1ccc(F)c(N[C@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000292033764 524826733 /nfs/dbraw/zinc/82/67/33/524826733.db2.gz DQDZIOILMPOTLQ-HNNXBMFYSA-N 0 1 288.370 3.986 20 0 CHADMN COc1ccncc1CN[C@@H]1CCCc2c(C)ccc(C)c21 ZINC000340408181 524858059 /nfs/dbraw/zinc/85/80/59/524858059.db2.gz NDMPHVUGCAWANN-QGZVFWFLSA-N 0 1 296.414 3.874 20 0 CHADMN Cc1cccc([C@H](C)c2nc([C@H](N)CC(C)C)no2)c1 ZINC000339368618 524879995 /nfs/dbraw/zinc/87/99/95/524879995.db2.gz WZAJLTMNBURLQT-GXTWGEPZSA-N 0 1 273.380 3.576 20 0 CHADMN COc1ccc(OC)c([C@@H](C)NCc2cccc(C)c2)c1 ZINC000020134132 524886073 /nfs/dbraw/zinc/88/60/73/524886073.db2.gz HDKGOBSGNMQUKQ-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN Cc1cccc2nc(N[C@H](C)c3cccnc3)sc21 ZINC000338636567 524910100 /nfs/dbraw/zinc/91/01/00/524910100.db2.gz LIIUFOMMCARRBZ-LLVKDONJSA-N 0 1 269.373 3.595 20 0 CHADMN Cc1csc(CN[C@@H](C)c2c(C)cccc2C)n1 ZINC000354679006 534818496 /nfs/dbraw/zinc/81/84/96/534818496.db2.gz QPMZXYWKZDVKPA-ZDUSSCGKSA-N 0 1 260.406 3.919 20 0 CHADMN Cc1ccccc1C(C)(C)NCc1cn2ccccc2n1 ZINC000293003295 525071955 /nfs/dbraw/zinc/07/19/55/525071955.db2.gz NFUSOUILKCLTNA-UHFFFAOYSA-N 0 1 279.387 3.668 20 0 CHADMN Cc1nn(C)cc1CN(Cc1ccccc1F)CC(C)C ZINC000350700250 534832328 /nfs/dbraw/zinc/83/23/28/534832328.db2.gz MEYCYAPYHHEALM-UHFFFAOYSA-N 0 1 289.398 3.526 20 0 CHADMN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1c(O)cccc1F ZINC000128782530 525114480 /nfs/dbraw/zinc/11/44/80/525114480.db2.gz CGEPCYSFSKDPNH-GXTWGEPZSA-N 0 1 299.345 3.550 20 0 CHADMN COc1ccc([C@@H](C)NCc2cn(C(C)C)nc2C)cc1 ZINC000281536334 525154755 /nfs/dbraw/zinc/15/47/55/525154755.db2.gz YYLZDCDLNXNBEG-CYBMUJFWSA-N 0 1 287.407 3.632 20 0 CHADMN COc1ccc([C@@H](C)N[C@H]2CCCc3occc32)cc1O ZINC000289617697 525164632 /nfs/dbraw/zinc/16/46/32/525164632.db2.gz GQEUGUWTLBJTNV-RISCZKNCSA-N 0 1 287.359 3.722 20 0 CHADMN Cc1ccccc1CNCc1ccccc1OC(F)F ZINC000020131552 525168890 /nfs/dbraw/zinc/16/88/90/525168890.db2.gz QJEZXAMLVDKVCM-UHFFFAOYSA-N 0 1 277.314 3.886 20 0 CHADMN Cc1ccccc1CN[C@@H](C)c1nc2ccccc2n1C ZINC000037718909 525168970 /nfs/dbraw/zinc/16/89/70/525168970.db2.gz ANWIJNHYMBVGRT-AWEZNQCLSA-N 0 1 279.387 3.733 20 0 CHADMN C[C@]1(CCc2ccccc2)CC[N@@H+](CCCCC(=O)[O-])C1 ZINC000262261399 525241900 /nfs/dbraw/zinc/24/19/00/525241900.db2.gz RBZIKIRKNMQWKD-SFHVURJKSA-N 0 1 289.419 3.586 20 0 CHADMN Cc1ccccc1[C@@H](C)N(C)Cc1cncc(F)c1 ZINC000275167024 525350621 /nfs/dbraw/zinc/35/06/21/525350621.db2.gz VXYCDQDYSGZAPM-CYBMUJFWSA-N 0 1 258.340 3.722 20 0 CHADMN C[C@@H](NCC1CCCCCC1)c1nc(C(C)(C)C)no1 ZINC000119000377 525427019 /nfs/dbraw/zinc/42/70/19/525427019.db2.gz QJJATGMYXTUMAC-GFCCVEGCSA-N 0 1 279.428 3.988 20 0 CHADMN C[C@@H](NCCSc1ccccc1)c1nccs1 ZINC000086510135 525456374 /nfs/dbraw/zinc/45/63/74/525456374.db2.gz RXCRHSPFFMBYSR-LLVKDONJSA-N 0 1 264.419 3.586 20 0 CHADMN C[C@H](NCc1cncc(F)c1)c1cccc(N2CCCC2)c1 ZINC000275043295 525477125 /nfs/dbraw/zinc/47/71/25/525477125.db2.gz HWYLZQYNLVSRNI-AWEZNQCLSA-N 0 1 299.393 3.672 20 0 CHADMN C[C@H](NCc1n[nH]c(C(C)(C)C)n1)c1ccccc1Cl ZINC000292986222 525485197 /nfs/dbraw/zinc/48/51/97/525485197.db2.gz ROMWMZLFFDQGOG-JTQLQIEISA-N 0 1 292.814 3.606 20 0 CHADMN C[C@H](NCc1nc2cccnc2s1)c1ccccc1 ZINC000341160952 525488102 /nfs/dbraw/zinc/48/81/02/525488102.db2.gz LZMDONWJXRKETH-NSHDSACASA-N 0 1 269.373 3.542 20 0 CHADMN CSCCN(C)Cc1c(Cl)ccc2cccnc21 ZINC000151136150 525493989 /nfs/dbraw/zinc/49/39/89/525493989.db2.gz KIIWDGWFAXEZIX-UHFFFAOYSA-N 0 1 280.824 3.683 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNCc2ccccc2N(C)C)o1 ZINC000263856272 525509466 /nfs/dbraw/zinc/50/94/66/525509466.db2.gz SAPMQUQYTQLFMN-CZUORRHYSA-N 0 1 284.403 3.759 20 0 CHADMN Cc1cccnc1CNCc1ccccc1C(F)(F)F ZINC000071339018 525523748 /nfs/dbraw/zinc/52/37/48/525523748.db2.gz JETFWLPRFUNXJT-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN C[C@H](N[C@@H](C)c1csc(Cl)c1)c1cnn(C)c1 ZINC000276384897 525537861 /nfs/dbraw/zinc/53/78/61/525537861.db2.gz QPLJUWLMZMNWFS-IUCAKERBSA-N 0 1 269.801 3.547 20 0 CHADMN C[C@H](N[C@@H](CO)c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000062999743 525544492 /nfs/dbraw/zinc/54/44/92/525544492.db2.gz BSIRDUCEXAISSN-ZBEGNZNMSA-N 0 1 293.769 3.863 20 0 CHADMN C[C@@H](NCc1ccco1)c1cccc(OC(F)F)c1 ZINC000020084007 525544402 /nfs/dbraw/zinc/54/44/02/525544402.db2.gz BPNAASQPEXEHOT-SNVBAGLBSA-N 0 1 267.275 3.732 20 0 CHADMN C[C@@H](NCc1n[nH]c(C(C)(C)C)n1)c1ccccc1Cl ZINC000292986223 525555953 /nfs/dbraw/zinc/55/59/53/525555953.db2.gz ROMWMZLFFDQGOG-SNVBAGLBSA-N 0 1 292.814 3.606 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)/C=C1\CC[C@H](C)C1 ZINC000276695508 525585643 /nfs/dbraw/zinc/58/56/43/525585643.db2.gz KAIUVVWSAQMFKV-QVIVLVACSA-N 0 1 269.348 3.556 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccncc1F)c1ccc2n[nH]cc2c1 ZINC000340397905 525618950 /nfs/dbraw/zinc/61/89/50/525618950.db2.gz VEOMBUBKLHLUQL-MNOVXSKESA-N 0 1 284.338 3.509 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccncc1F)c1cccc(F)c1 ZINC000338007760 525620157 /nfs/dbraw/zinc/62/01/57/525620157.db2.gz BUUAYFFHFLBURR-MNOVXSKESA-N 0 1 262.303 3.772 20 0 CHADMN Cc1ccnc(NCCc2cccc3[nH]ccc32)c1 ZINC000336921675 525693970 /nfs/dbraw/zinc/69/39/70/525693970.db2.gz SGKNHDFWUIUEKP-UHFFFAOYSA-N 0 1 251.333 3.526 20 0 CHADMN CSC[C@H]1CCCN(Cc2cc(-c3ccco3)on2)C1 ZINC000292120485 525707189 /nfs/dbraw/zinc/70/71/89/525707189.db2.gz AKBRQVCAVPJVIF-LBPRGKRZSA-N 0 1 292.404 3.510 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000296233793 525767433 /nfs/dbraw/zinc/76/74/33/525767433.db2.gz CEUFMNSTNXLJQF-JKIFEVAISA-N 0 1 282.387 3.953 20 0 CHADMN Cc1ccc([C@@H](NCc2ncccc2N(C)C)C2CC2)cc1 ZINC000289556314 525776049 /nfs/dbraw/zinc/77/60/49/525776049.db2.gz ABSAUJBCQCLVIZ-LJQANCHMSA-N 0 1 295.430 3.697 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2n[nH]c(C(C)C)n2)o1 ZINC000292347808 525802726 /nfs/dbraw/zinc/80/27/26/525802726.db2.gz DLZVWKQOFPHUSW-ZDUSSCGKSA-N 0 1 288.395 3.557 20 0 CHADMN CS[C@@H](c1nc([C@H](N)CC(C)C)no1)c1ccccc1 ZINC000339397821 525818879 /nfs/dbraw/zinc/81/88/79/525818879.db2.gz SLSWXNKBKCYDBF-CHWSQXEVSA-N 0 1 291.420 3.568 20 0 CHADMN C[C@@]1(CCc2ccccc2)CCN(Cc2cocn2)C1 ZINC000278285399 525828735 /nfs/dbraw/zinc/82/87/35/525828735.db2.gz WXZWILGZMTUOJT-QGZVFWFLSA-N 0 1 270.376 3.519 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc3c(c2)OCCCO3)o1 ZINC000037675071 525928118 /nfs/dbraw/zinc/92/81/18/525928118.db2.gz NIIYQBDDYKVXHV-ZDUSSCGKSA-N 0 1 287.359 3.600 20 0 CHADMN Cc1ccc(/C=C\c2nc([C@H](N)CC(C)C)no2)cc1 ZINC000339393867 525964725 /nfs/dbraw/zinc/96/47/25/525964725.db2.gz MJMQMSDZGURDNQ-QIAWRQBBSA-N 0 1 271.364 3.594 20 0 CHADMN Cc1ccc([C@H](NCc2nncn2C)C2CCCCC2)cc1 ZINC000276667783 525970019 /nfs/dbraw/zinc/97/00/19/525970019.db2.gz QNRRDXLJMWIRQF-GOSISDBHSA-N 0 1 298.434 3.535 20 0 CHADMN COc1cccc(CNCc2ccccc2)c1OC(F)F ZINC000035161273 526025581 /nfs/dbraw/zinc/02/55/81/526025581.db2.gz VQNODYNIRGBMCL-UHFFFAOYSA-N 0 1 293.313 3.586 20 0 CHADMN COc1cccc(CNCc2ccsc2)c1OC(F)F ZINC000062103901 526026281 /nfs/dbraw/zinc/02/62/81/526026281.db2.gz UZFAPHKROAYLOT-UHFFFAOYSA-N 0 1 299.342 3.648 20 0 CHADMN Cc1c[nH]nc1CN[C@H](c1ccccc1C)C(C)(C)C ZINC000289658623 526035095 /nfs/dbraw/zinc/03/50/95/526035095.db2.gz YSMZNEFMBIXEGP-MRXNPFEDSA-N 0 1 271.408 3.904 20 0 CHADMN Cc1cn[nH]c1CN[C@H](C)c1cc(Cl)ccc1Cl ZINC000289553211 526035143 /nfs/dbraw/zinc/03/51/43/526035143.db2.gz QHFDREWDLLQQLN-SECBINFHSA-N 0 1 284.190 3.876 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)N1CCC[C@H](O)CC1 ZINC000293079810 526036697 /nfs/dbraw/zinc/03/66/97/526036697.db2.gz JOYNARMETVNUGQ-PWSUYJOCSA-N 0 1 288.218 3.901 20 0 CHADMN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cnc[nH]1 ZINC000280481210 526038647 /nfs/dbraw/zinc/03/86/47/526038647.db2.gz NXVISFXGUKREPO-VIFPVBQESA-N 0 1 284.190 3.910 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)N(C)Cc1cnccn1 ZINC000080966945 526044063 /nfs/dbraw/zinc/04/40/63/526044063.db2.gz ASQFQWLVMJKSQB-CQSZACIVSA-N 0 1 283.419 3.967 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226455674 526049938 /nfs/dbraw/zinc/04/99/38/526049938.db2.gz XHUYNAJUHWXYFJ-OLZOCXBDSA-N 0 1 295.810 3.978 20 0 CHADMN C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCCC(=O)[O-] ZINC000083662504 526053393 /nfs/dbraw/zinc/05/33/93/526053393.db2.gz RABBMEOXEWDYDM-SECBINFHSA-N 0 1 290.190 3.851 20 0 CHADMN CSc1ccc([C@@H](C)NCc2cncs2)cc1 ZINC000054770774 526061388 /nfs/dbraw/zinc/06/13/88/526061388.db2.gz JDWHDQWECLOJCH-SNVBAGLBSA-N 0 1 264.419 3.716 20 0 CHADMN C[C@H](c1ccccc1Cl)[N@@H+](C)CCCCC(=O)[O-] ZINC000062015182 526112421 /nfs/dbraw/zinc/11/24/21/526112421.db2.gz SJRITLSOWCCBQS-LLVKDONJSA-N 0 1 269.772 3.588 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1cnc2ccccc2c1 ZINC000337192052 526113381 /nfs/dbraw/zinc/11/33/81/526113381.db2.gz UILGKZAJASHWNE-AWEZNQCLSA-N 0 1 277.371 3.823 20 0 CHADMN Cc1cnc([C@@H](C)NCCC(=O)c2ccc(C)cc2)s1 ZINC000274802476 526124666 /nfs/dbraw/zinc/12/46/66/526124666.db2.gz FOYQLTKZUNEGHX-CYBMUJFWSA-N 0 1 288.416 3.684 20 0 CHADMN C[C@@H](c1ccncc1)N(C)Cc1cnc2ccccc2c1 ZINC000337175641 526152769 /nfs/dbraw/zinc/15/27/69/526152769.db2.gz IFTQZJOCJLZSHR-AWEZNQCLSA-N 0 1 277.371 3.823 20 0 CHADMN C[C@@H](c1ncc(-c2ccccc2)o1)N1C[C@@H](C)[C@H]1C ZINC000292910565 526179093 /nfs/dbraw/zinc/17/90/93/526179093.db2.gz FJORNSVFGOMUFX-UPJWGTAASA-N 0 1 256.349 3.743 20 0 CHADMN Fc1ccc(-c2ccc(CNC3CC(F)(F)C3)o2)cc1 ZINC000277396937 526313284 /nfs/dbraw/zinc/31/32/84/526313284.db2.gz DTCVNTUMIITYMN-UHFFFAOYSA-N 0 1 281.277 3.973 20 0 CHADMN Fc1ccc(CN[C@@H](c2cccnc2)C2CCC2)c(F)c1 ZINC000280868165 526339505 /nfs/dbraw/zinc/33/95/05/526339505.db2.gz NNWAOEFOWIREJC-QGZVFWFLSA-N 0 1 288.341 3.991 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](CC2CC2)C2CCCCC2)cc1 ZINC000263583079 526364827 /nfs/dbraw/zinc/36/48/27/526364827.db2.gz ZKOKBWRQWGFVEP-UHFFFAOYSA-N 0 1 287.403 3.930 20 0 CHADMN Fc1ccccc1CN1CCC(C(F)(F)F)CC1 ZINC000075996403 526410050 /nfs/dbraw/zinc/41/00/50/526410050.db2.gz UJICXCIWYANHEO-UHFFFAOYSA-N 0 1 261.262 3.600 20 0 CHADMN Fc1ccccc1[C@]1(F)CCN(CC[C@@H]2CCCCO2)C1 ZINC000338592514 526418740 /nfs/dbraw/zinc/41/87/40/526418740.db2.gz GSMYJKFLCDVJHH-YOEHRIQHSA-N 0 1 295.373 3.655 20 0 CHADMN Cc1nnsc1CN[C@H](C)c1cc2ccccc2s1 ZINC000293224050 526449314 /nfs/dbraw/zinc/44/93/14/526449314.db2.gz ANWKPATWYISUOX-SECBINFHSA-N 0 1 289.429 3.912 20 0 CHADMN c1ccc(C2CC(NCc3noc4c3CCCC4)C2)cc1 ZINC000290164459 526461833 /nfs/dbraw/zinc/46/18/33/526461833.db2.gz MDSISHALTBVTGT-UHFFFAOYSA-N 0 1 282.387 3.589 20 0 CHADMN Cc1noc(C)c1CNCc1ccc(C(F)(F)F)cc1 ZINC000070139461 526514087 /nfs/dbraw/zinc/51/40/87/526514087.db2.gz HJDZTQSULBKZQB-UHFFFAOYSA-N 0 1 284.281 3.600 20 0 CHADMN Cc1noc(C)c1CNCc1ccc(CC(C)C)cc1 ZINC000088296703 526514659 /nfs/dbraw/zinc/51/46/59/526514659.db2.gz PZZYCXRHORZEMD-UHFFFAOYSA-N 0 1 272.392 3.780 20 0 CHADMN Cc1noc(C)c1CNCc1ccccc1C(F)(F)F ZINC000063550393 526514881 /nfs/dbraw/zinc/51/48/81/526514881.db2.gz WADXZMHPRMEIIO-UHFFFAOYSA-N 0 1 284.281 3.600 20 0 CHADMN Cc1noc(C)c1CN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000036997462 526517412 /nfs/dbraw/zinc/51/74/12/526517412.db2.gz ZWRHNGSVOYYWCZ-LBPRGKRZSA-N 0 1 288.391 3.929 20 0 CHADMN Cc1nocc1CN[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000293507377 526699671 /nfs/dbraw/zinc/69/96/71/526699671.db2.gz HTTPXHKFQSWCLF-MGPLVRAMSA-N 0 1 274.339 3.535 20 0 CHADMN Clc1cccc(C2CCN(Cc3ccno3)CC2)c1 ZINC000280272022 526974187 /nfs/dbraw/zinc/97/41/87/526974187.db2.gz CWDLDHTWZMQYSV-UHFFFAOYSA-N 0 1 276.767 3.708 20 0 CHADMN Clc1cccc(CNCc2ccc3c(n2)CCCC3)c1 ZINC000277786070 526975438 /nfs/dbraw/zinc/97/54/38/526975438.db2.gz VULUGWNDHRGXCO-UHFFFAOYSA-N 0 1 286.806 3.904 20 0 CHADMN Clc1ccsc1CN1CCC[C@@H](OCC2CC2)C1 ZINC000338563396 526994374 /nfs/dbraw/zinc/99/43/74/526994374.db2.gz LISREZCLYYLULF-GFCCVEGCSA-N 0 1 285.840 3.793 20 0 CHADMN Clc1cnc(CNCCc2cccc3[nH]ccc32)s1 ZINC000337292436 526996393 /nfs/dbraw/zinc/99/63/93/526996393.db2.gz MVLBCFQOOAGJPX-UHFFFAOYSA-N 0 1 291.807 3.610 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)[C@H](C)C2CCCCC2)[nH]1 ZINC000338605378 527150998 /nfs/dbraw/zinc/15/09/98/527150998.db2.gz DNRJAMAHGDDKMT-GFCCVEGCSA-N 0 1 299.418 3.912 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@@H]3CC[C@H]4CCC[C@@H]4C3)c2[nH]1 ZINC000338574703 527155362 /nfs/dbraw/zinc/15/53/62/527155362.db2.gz JTLIQOIGXRXBTI-MGPQQGTHSA-N 0 1 297.402 3.570 20 0 CHADMN Cc1nc2cccc(C(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)c2[nH]1 ZINC000338574700 527155728 /nfs/dbraw/zinc/15/57/28/527155728.db2.gz JTLIQOIGXRXBTI-BFHYXJOUSA-N 0 1 297.402 3.570 20 0 CHADMN Cn1cc(CN[C@H]2CCCc3sccc32)c(C(F)F)n1 ZINC000291072396 527222724 /nfs/dbraw/zinc/22/27/24/527222724.db2.gz SCRRWVLKQYAJEX-NSHDSACASA-N 0 1 297.374 3.586 20 0 CHADMN Cc1ncc(C(=O)N2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)[nH]1 ZINC000339225737 527227802 /nfs/dbraw/zinc/22/78/02/527227802.db2.gz ZYACLKVSXLKBPB-SUMWQHHRSA-N 0 1 297.402 3.640 20 0 CHADMN Cc1ncc(CNC(C)(C)c2ccccc2F)s1 ZINC000291636448 527268399 /nfs/dbraw/zinc/26/83/99/527268399.db2.gz BBXCBSRBHMTALP-UHFFFAOYSA-N 0 1 264.369 3.616 20 0 CHADMN Cn1ccnc1CN1CCC[C@H]1CCC1CCCCC1 ZINC000354087429 527431771 /nfs/dbraw/zinc/43/17/71/527431771.db2.gz AISOLCICUOGZER-INIZCTEOSA-N 0 1 275.440 3.745 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H]1CCSc2ccccc21 ZINC000187769590 527457174 /nfs/dbraw/zinc/45/71/74/527457174.db2.gz NMKVMMAUPFWNDY-OCCSQVGLSA-N 0 1 285.416 3.673 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000187683086 527458692 /nfs/dbraw/zinc/45/86/92/527458692.db2.gz IZSXRFOFIYFPBD-PWSUYJOCSA-N 0 1 275.783 3.850 20 0 CHADMN O=C([O-])CCCC[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000263567247 527581476 /nfs/dbraw/zinc/58/14/76/527581476.db2.gz GMIMGFMJHSYVCS-UHFFFAOYSA-N 0 1 295.810 3.807 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H](C)c1cncs1 ZINC000274452177 527585168 /nfs/dbraw/zinc/58/51/68/527585168.db2.gz YYWZEJQIJDKRRL-ZYHUDNBSSA-N 0 1 292.452 3.815 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCC[C@H]1c1ccncc1 ZINC000289982901 527591516 /nfs/dbraw/zinc/59/15/16/527591516.db2.gz ZZIFJVZUGNMZNG-KRWDZBQOSA-N 0 1 284.407 3.505 20 0 CHADMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)CC1 ZINC000299742068 527628389 /nfs/dbraw/zinc/62/83/89/527628389.db2.gz GRRAMGGOALSUEM-LLVKDONJSA-N 0 1 299.773 3.556 20 0 CHADMN FC(F)(F)COc1ccc(CNCc2ccco2)cc1 ZINC000073450116 527671590 /nfs/dbraw/zinc/67/15/90/527671590.db2.gz QJTHBSUQHZDACH-UHFFFAOYSA-N 0 1 285.265 3.511 20 0 CHADMN FC(F)[C@@H](CCc1ccccc1)NC[C@@H]1CCSC1 ZINC000280079821 527698261 /nfs/dbraw/zinc/69/82/61/527698261.db2.gz MUPLBUXVZMBBOX-UONOGXRCSA-N 0 1 285.403 3.596 20 0 CHADMN CC(C)OC1CC(N2Cc3cccc(Cl)c3C2)C1 ZINC000334732631 527880201 /nfs/dbraw/zinc/88/02/01/527880201.db2.gz LUBRXERCMVGDGJ-UHFFFAOYSA-N 0 1 265.784 3.612 20 0 CHADMN CC(C)CN(Cc1ccccn1)Cc1ccccc1F ZINC000350698365 527949685 /nfs/dbraw/zinc/94/96/85/527949685.db2.gz DPCJKBBJEQKYMS-UHFFFAOYSA-N 0 1 272.367 3.879 20 0 CHADMN CCO[C@H](C)c1noc(CN2CCC[C@H]2CC(C)(C)C)n1 ZINC000347042291 528021836 /nfs/dbraw/zinc/02/18/36/528021836.db2.gz KQVONOYYNZFZCE-OLZOCXBDSA-N 0 1 295.427 3.568 20 0 CHADMN CCCN(Cc1n[nH]c(C2CC2)n1)[C@@H]1CCc2ccccc21 ZINC000347396612 528153806 /nfs/dbraw/zinc/15/38/06/528153806.db2.gz VUULOARGGKTKLI-MRXNPFEDSA-N 0 1 296.418 3.582 20 0 CHADMN CC(C)c1ccoc1-c1nc(-c2ccn3cncc3c2)no1 ZINC000347230205 528208807 /nfs/dbraw/zinc/20/88/07/528208807.db2.gz YODKETWVLJZXEL-UHFFFAOYSA-N 0 1 294.314 3.768 20 0 CHADMN CC(C)CSCCCNCc1c(F)ccc(O)c1F ZINC000352703621 528218688 /nfs/dbraw/zinc/21/86/88/528218688.db2.gz DNZMEGBKJJTVOY-UHFFFAOYSA-N 0 1 289.391 3.539 20 0 CHADMN CC(C)Oc1cccc(CN[C@H]2COCc3ccccc32)c1 ZINC000418092422 528226841 /nfs/dbraw/zinc/22/68/41/528226841.db2.gz AFQRBZJHICDFKS-IBGZPJMESA-N 0 1 297.398 3.835 20 0 CHADMN CC1CCN(Cc2cscc2C(F)(F)F)CC1 ZINC000356060972 528257163 /nfs/dbraw/zinc/25/71/63/528257163.db2.gz IPFRHQBJRXBROI-UHFFFAOYSA-N 0 1 263.328 3.999 20 0 CHADMN CCC(=O)CCCN(CC)Cc1ccccc1Cl ZINC000347745724 528285047 /nfs/dbraw/zinc/28/50/47/528285047.db2.gz WOZDBBLNNKSLOR-UHFFFAOYSA-N 0 1 267.800 3.921 20 0 CHADMN CCCCN(CC)C(=O)CN[C@@H](C)c1cc(C)sc1C ZINC000347553732 528385828 /nfs/dbraw/zinc/38/58/28/528385828.db2.gz ULVAPJFBPZAGTR-ZDUSSCGKSA-N 0 1 296.480 3.664 20 0 CHADMN CCN(CCCO)Cc1cc(C(F)(F)F)ccc1Cl ZINC000353658599 528469326 /nfs/dbraw/zinc/46/93/26/528469326.db2.gz XKQYEKCBZCAXQI-UHFFFAOYSA-N 0 1 295.732 3.563 20 0 CHADMN CC(C)n1cc(CNC2(c3ccc(Cl)cc3)CC2)cn1 ZINC000344211767 528564841 /nfs/dbraw/zinc/56/48/41/528564841.db2.gz FGLHFRPHGPGTIC-UHFFFAOYSA-N 0 1 289.810 3.896 20 0 CHADMN CC(C)[C@@H]1CCN1Cc1cscc1C(F)(F)F ZINC000356126010 528704555 /nfs/dbraw/zinc/70/45/55/528704555.db2.gz MGZSXGHSTFHYNV-NSHDSACASA-N 0 1 263.328 3.997 20 0 CHADMN CCN(Cc1ncc(CSC)s1)[C@@H](C)C(C)C ZINC000350767991 528889051 /nfs/dbraw/zinc/88/90/51/528889051.db2.gz RSEDIJUFHIEHMD-NSHDSACASA-N 0 1 272.483 3.873 20 0 CHADMN CC1(C)CCC(C(=O)Nc2ccccc2-c2nnc[nH]2)CC1 ZINC000336593680 528896353 /nfs/dbraw/zinc/89/63/53/528896353.db2.gz LAFCGCFUONWCEF-UHFFFAOYSA-N 0 1 298.390 3.627 20 0 CHADMN CC1(C)CCCN(Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000335940490 528938236 /nfs/dbraw/zinc/93/82/36/528938236.db2.gz MBEFPHDOLJNKFC-ZDUSSCGKSA-N 0 1 280.437 3.617 20 0 CHADMN CCCC[C@H](N[C@@H](C)c1nnc(CC)o1)C1CCC1 ZINC000347925555 528994618 /nfs/dbraw/zinc/99/46/18/528994618.db2.gz YCWUTJAMJCOGAG-AAEUAGOBSA-N 0 1 265.401 3.642 20 0 CHADMN CC1(C)CN(CCOC2CCC2)[C@H]1c1cccs1 ZINC000347582570 529119411 /nfs/dbraw/zinc/11/94/11/529119411.db2.gz QGMMHEDOBOJAFB-AWEZNQCLSA-N 0 1 265.422 3.700 20 0 CHADMN CC[C@@H](N[C@H](c1nccn1C)C1CC1)c1ccccc1 ZINC000353872355 529206848 /nfs/dbraw/zinc/20/68/48/529206848.db2.gz UXZDNMBTVPPWIL-CVEARBPZSA-N 0 1 269.392 3.612 20 0 CHADMN CC[C@H]1CCCN1Cc1csc(-c2ccccn2)n1 ZINC000352653262 529221246 /nfs/dbraw/zinc/22/12/46/529221246.db2.gz VTUQJQXILNZOAN-ZDUSSCGKSA-N 0 1 273.405 3.580 20 0 CHADMN CCSc1ccc([C@@H](C)NCc2cncn2CC)cc1 ZINC000417910910 529246543 /nfs/dbraw/zinc/24/65/43/529246543.db2.gz LVRJLRMAVSJHHG-CYBMUJFWSA-N 0 1 289.448 3.866 20 0 CHADMN CCSc1cccc(CN(C)Cc2ccccn2)c1 ZINC000351982236 529249832 /nfs/dbraw/zinc/24/98/32/529249832.db2.gz NFIYBHKVYISGFM-UHFFFAOYSA-N 0 1 272.417 3.826 20 0 CHADMN CCN(CC(=O)c1cc(C)n(C2CC2)c1C)C1CCCC1 ZINC000342004091 535784068 /nfs/dbraw/zinc/78/40/68/535784068.db2.gz YHUDEHAACZOIKS-UHFFFAOYSA-N 0 1 288.435 3.887 20 0 CHADMN C[C@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)Cc2ccccc21 ZINC000736806048 599709504 /nfs/dbraw/zinc/70/95/04/599709504.db2.gz GXCAEUJYOWQGPF-YVEFUNNKSA-N 0 1 299.345 3.571 20 0 CHADMN Cc1oc(C[N@@H+](C)CCC2CCCCC2)cc1C(=O)[O-] ZINC000652406745 599720008 /nfs/dbraw/zinc/72/00/08/599720008.db2.gz UYJBPABIWJMLEI-UHFFFAOYSA-N 0 1 279.380 3.688 20 0 CHADMN C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000736716030 599846655 /nfs/dbraw/zinc/84/66/55/599846655.db2.gz XMTIAWMOOTYOHL-LLVKDONJSA-N 0 1 299.326 3.917 20 0 CHADMN CCC[N@@H+](Cc1cc(C(=O)[O-])co1)[C@@H]1CCc2ccccc21 ZINC000737019349 599849448 /nfs/dbraw/zinc/84/94/48/599849448.db2.gz HCWNTEWIJWWHGQ-QGZVFWFLSA-N 0 1 299.370 3.877 20 0 CHADMN C[N@@H+](Cc1cccc(C(=O)[O-])c1)[C@@H]1CCCc2ccccc21 ZINC000737488123 599963124 /nfs/dbraw/zinc/96/31/24/599963124.db2.gz ZOYIGMTZESPHBQ-GOSISDBHSA-N 0 1 295.382 3.894 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)o1 ZINC000515305998 600025241 /nfs/dbraw/zinc/02/52/41/600025241.db2.gz PSCCXOMHMKXUJK-OAHLLOKOSA-N 0 1 299.370 3.575 20 0 CHADMN CC[N@@H+](Cc1ccc(F)cc1C(=O)[O-])C1CCCCC1 ZINC000071265110 600083530 /nfs/dbraw/zinc/08/35/30/600083530.db2.gz QGGSPWJISMRGIS-UHFFFAOYSA-N 0 1 279.355 3.679 20 0 CHADMN CC(C)CC[N@@H+](Cc1ccc(F)cc1C(=O)[O-])C1CC1 ZINC000112727866 600083566 /nfs/dbraw/zinc/08/35/66/600083566.db2.gz YYEPEKMCDXKOBE-UHFFFAOYSA-N 0 1 279.355 3.534 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2ccc(F)cc2C(=O)[O-])s1 ZINC000565956301 600102169 /nfs/dbraw/zinc/10/21/69/600102169.db2.gz DRPYQBNVMLOIMS-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])o2)CC1 ZINC000079349741 600216608 /nfs/dbraw/zinc/21/66/08/600216608.db2.gz ZIRAKSSJZWQJCT-GFCCVEGCSA-N 0 1 279.380 3.626 20 0 CHADMN Cc1oc(C[N@@H+]2CCCC[C@H]2c2ccco2)cc1C(=O)[O-] ZINC000738978706 600216874 /nfs/dbraw/zinc/21/68/74/600216874.db2.gz JGIUZYCPUGQTIQ-AWEZNQCLSA-N 0 1 289.331 3.606 20 0 CHADMN Cc1oc(C[N@H+]2CCCC[C@H]2c2ccco2)cc1C(=O)[O-] ZINC000738978706 600216878 /nfs/dbraw/zinc/21/68/78/600216878.db2.gz JGIUZYCPUGQTIQ-AWEZNQCLSA-N 0 1 289.331 3.606 20 0 CHADMN C[N@@H+](Cc1ccc2oc3ccccc3c2c1)C(C)(C)C(=O)[O-] ZINC000737488093 600309386 /nfs/dbraw/zinc/30/93/86/600309386.db2.gz ZGBXNGCEHOEFMZ-UHFFFAOYSA-N 0 1 297.354 3.881 20 0 CHADMN Cc1ccc(C[NH2+][C@@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000426742842 600424059 /nfs/dbraw/zinc/42/40/59/600424059.db2.gz LQEYQFQLSZQCCK-CYBMUJFWSA-N 0 1 295.791 3.625 20 0 CHADMN CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])oc1C ZINC000736879696 600432369 /nfs/dbraw/zinc/43/23/69/600432369.db2.gz GPEPJAFRFFODFG-FZMZJTMJSA-N 0 1 279.380 3.687 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cc2occc2C(=O)[O-])C1 ZINC000565106274 600432524 /nfs/dbraw/zinc/43/25/24/600432524.db2.gz OXZWYXXLDLLMPG-UONOGXRCSA-N 0 1 299.370 3.664 20 0 CHADMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(C)c(C(=O)[O-])o1 ZINC000736951518 600448649 /nfs/dbraw/zinc/44/86/49/600448649.db2.gz VSGYFEXDFWEZKJ-MRXNPFEDSA-N 0 1 299.370 3.796 20 0 CHADMN CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccoc1C(=O)[O-] ZINC000736392972 600540924 /nfs/dbraw/zinc/54/09/24/600540924.db2.gz XXDXGRISWTYSPC-HNNXBMFYSA-N 0 1 287.359 3.807 20 0 CHADMN CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000736389795 600541015 /nfs/dbraw/zinc/54/10/15/600541015.db2.gz DQJRXJGPGLKUHR-MRXNPFEDSA-N 0 1 287.359 3.807 20 0 CHADMN CC[C@H]1CCCCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000128038935 600574347 /nfs/dbraw/zinc/57/43/47/600574347.db2.gz YEKSAJVYCXKSGA-HNNXBMFYSA-N 0 1 261.365 3.539 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2occc2C(=O)[O-])[C@H](c2ccco2)C1 ZINC000570689322 600861815 /nfs/dbraw/zinc/86/18/15/600861815.db2.gz LLEHAFLTVMIVMV-YPMHNXCESA-N 0 1 289.331 3.544 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2occc2C(=O)[O-])[C@H](c2ccco2)C1 ZINC000570689316 600862027 /nfs/dbraw/zinc/86/20/27/600862027.db2.gz LLEHAFLTVMIVMV-AAEUAGOBSA-N 0 1 289.331 3.544 20 0 CHADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000262317456 600973498 /nfs/dbraw/zinc/97/34/98/600973498.db2.gz QLOHLJAHMKFRLZ-SFHVURJKSA-N 0 1 297.398 3.838 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])co2)CC[C@H]1c1ccccc1 ZINC000568404097 600975162 /nfs/dbraw/zinc/97/51/62/600975162.db2.gz DLDZDTGNOKFLLY-CXAGYDPISA-N 0 1 299.370 3.603 20 0 CHADMN C[C@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)Cc2ccccc21 ZINC000828410793 600982091 /nfs/dbraw/zinc/98/20/91/600982091.db2.gz CUIYCHYSVCBIEP-YVEFUNNKSA-N 0 1 299.345 3.571 20 0 CHADMN Cc1cccc([C@H](C)[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000832966326 601002479 /nfs/dbraw/zinc/00/24/79/601002479.db2.gz NJKKIIWQLVHLES-ZDUSSCGKSA-N 0 1 281.355 3.770 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000652428606 601328352 /nfs/dbraw/zinc/32/83/52/601328352.db2.gz VSWXQMMKEXKJTR-UMVBOHGHSA-N 0 1 299.370 3.917 20 0 CHADMN C[C@@H](c1cccc2ccccc21)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000086774724 601513625 /nfs/dbraw/zinc/51/36/25/601513625.db2.gz ULWRBGAWANHBTH-IGCXYCKISA-N 0 1 283.371 3.553 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)Cc1ccc(C)cc1 ZINC000122737497 601613551 /nfs/dbraw/zinc/61/35/51/601613551.db2.gz DSMJXDNSRMCCJN-UHFFFAOYSA-N 0 1 289.400 3.695 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000659786979 601628319 /nfs/dbraw/zinc/62/83/19/601628319.db2.gz XVMHRSBKNWBEPL-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCC2(CCCC2)C1 ZINC000311348794 601647525 /nfs/dbraw/zinc/64/75/25/601647525.db2.gz DGCMFRTXRXHULS-UHFFFAOYSA-N 0 1 279.405 3.521 20 0 CHADMN C[N@H+](Cc1ccsc1C(=O)[O-])Cc1ccccc1Cl ZINC000110955736 601804158 /nfs/dbraw/zinc/80/41/58/601804158.db2.gz YTVOIMBMFJQNGS-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN C[N@@H+](Cc1ccsc1C(=O)[O-])Cc1ccccc1Cl ZINC000110955736 601804159 /nfs/dbraw/zinc/80/41/59/601804159.db2.gz YTVOIMBMFJQNGS-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000516300625 601805261 /nfs/dbraw/zinc/80/52/61/601805261.db2.gz GAKNEFGXPNLQIP-CQSZACIVSA-N 0 1 287.384 3.783 20 0 CHADMN C[C@@H](c1cccs1)[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC000110956061 601807394 /nfs/dbraw/zinc/80/73/94/601807394.db2.gz OSIGFNQYISCWTR-VIFPVBQESA-N 0 1 281.402 3.701 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccsc2C(=O)[O-])o1 ZINC000566015491 601827570 /nfs/dbraw/zinc/82/75/70/601827570.db2.gz YOPCWIOCKFZVNC-LBPRGKRZSA-N 0 1 291.372 3.685 20 0 CHADMN O=C([O-])c1sccc1C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000833347798 601840253 /nfs/dbraw/zinc/84/02/53/601840253.db2.gz UCVFILRLNBQFGM-ZDUSSCGKSA-N 0 1 291.347 3.532 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000833347798 601840255 /nfs/dbraw/zinc/84/02/55/601840255.db2.gz UCVFILRLNBQFGM-ZDUSSCGKSA-N 0 1 291.347 3.532 20 0 CHADMN Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC000832976850 601946103 /nfs/dbraw/zinc/94/61/03/601946103.db2.gz GUNQHFLFTMNCHT-GFCCVEGCSA-N 0 1 289.400 3.948 20 0 CHADMN CC[C@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000125303114 601956478 /nfs/dbraw/zinc/95/64/78/601956478.db2.gz SRMVRNNQHUXNSS-NSHDSACASA-N 0 1 267.394 3.601 20 0 CHADMN O=C([O-])c1sc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000706835950 602208438 /nfs/dbraw/zinc/20/84/38/602208438.db2.gz JZNKCVKREMVNHP-GWCFXTLKSA-N 0 1 287.384 3.584 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833547980 604532811 /nfs/dbraw/zinc/53/28/11/604532811.db2.gz JOOACEZTHPOTAS-SNVBAGLBSA-N 0 1 292.766 3.559 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1Cc1occc1C(=O)[O-] ZINC000829347741 604677482 /nfs/dbraw/zinc/67/74/82/604677482.db2.gz LMQQPAXFJXASSQ-GFCCVEGCSA-N 0 1 265.353 3.523 20 0 CHADMN C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC000383615403 604749917 /nfs/dbraw/zinc/74/99/17/604749917.db2.gz GRCZDWYSNNLFMU-LBPRGKRZSA-N 0 1 287.334 3.717 20 0 CHADMN C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833546689 605104487 /nfs/dbraw/zinc/10/44/87/605104487.db2.gz KNWWRYKWWXCYBA-NSHDSACASA-N 0 1 298.342 3.652 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000572653402 605138185 /nfs/dbraw/zinc/13/81/85/605138185.db2.gz KSMHBXWBBNDWOO-BFQNTYOBSA-N 0 1 277.364 3.551 20 0 CHADMN O=C([O-])Nc1cccc(C[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000834269297 605601424 /nfs/dbraw/zinc/60/14/24/605601424.db2.gz RZGCYWAHMVJGOK-AWEZNQCLSA-N 0 1 286.331 3.707 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC=C(c3ccccc3)C2)c1 ZINC001602438411 971198469 /nfs/dbraw/zinc/19/84/69/971198469.db2.gz PMPPZEIWFPZGJN-UHFFFAOYSA-N 0 1 293.366 3.674 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CCCc2ccc(C)cc2)C1 ZINC001589605809 949260996 /nfs/dbraw/zinc/26/09/96/949260996.db2.gz WPFYHCXTOIOHHX-GOSISDBHSA-N 0 1 289.419 3.504 20 0 CHADMN O=C([O-])c1ccc(C[NH2+][C@@H](C(F)F)C2CCCCC2)cc1 ZINC001595230551 949343472 /nfs/dbraw/zinc/34/34/72/949343472.db2.gz IVCHYQFYRITGLR-CQSZACIVSA-N 0 1 297.345 3.688 20 0 CHADMN CC(C)(C)[C@@H]1CCCN1Cc1ccnc(Cl)c1F ZINC000823432025 1131426223 /nfs/dbraw/zinc/42/62/23/1131426223.db2.gz BQMYMTGRQDVFPO-NSHDSACASA-N 0 1 270.779 3.885 20 0 CHADMN O=C([O-])c1cccc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC001595242056 949474740 /nfs/dbraw/zinc/47/47/40/949474740.db2.gz BKZIHLFLVYGLHP-UHFFFAOYSA-N 0 1 299.345 3.689 20 0 CHADMN Cc1cccc(C)c1C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000215478262 949545885 /nfs/dbraw/zinc/54/58/85/949545885.db2.gz WWBWXGTVQNVJDF-HNNXBMFYSA-N 0 1 275.392 3.523 20 0 CHADMN Cc1ccc(C)c(CN2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000126822936 1125457697 /nfs/dbraw/zinc/45/76/97/1125457697.db2.gz BNMXNCWQRAJKGU-IBGZPJMESA-N 0 1 297.398 3.583 20 0 CHADMN CC[N@@H+](C[C@@H](C)CSc1ccccc1C)[C@@H](C)C(=O)[O-] ZINC001589719372 950402915 /nfs/dbraw/zinc/40/29/15/950402915.db2.gz FFMQSZLEGVFDFX-OCCSQVGLSA-N 0 1 295.448 3.518 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cccc(Cl)c2)nc1 ZINC000126934942 1125458436 /nfs/dbraw/zinc/45/84/36/1125458436.db2.gz PGSXGVHDEOVIOQ-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN O=C([O-])[C@H]1C[N@H+]([C@H]2C=CCCCCC2)Cc2ccccc21 ZINC000314082084 950807505 /nfs/dbraw/zinc/80/75/05/950807505.db2.gz XRBUQXMRJHPLAW-RDJZCZTQSA-N 0 1 285.387 3.559 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CCCC(C)(C)CC1 ZINC000127109717 1125459938 /nfs/dbraw/zinc/45/99/38/1125459938.db2.gz BWQRQURUAHWDGD-LLVKDONJSA-N 0 1 263.385 3.520 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000382111554 971799469 /nfs/dbraw/zinc/79/94/69/971799469.db2.gz KYWWLNJGXSUXEW-IJLUTSLNSA-N 0 1 295.810 3.905 20 0 CHADMN O=C([O-])C[N@@H+](C1CC1)[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000430680378 953500474 /nfs/dbraw/zinc/50/04/74/953500474.db2.gz SGLHUXGFKVGSDG-CVEARBPZSA-N 0 1 279.424 3.675 20 0 CHADMN C[C@H](NC[C@@]1(C)CC1(Cl)Cl)c1c(F)cncc1F ZINC000829768797 1131432904 /nfs/dbraw/zinc/43/29/04/1131432904.db2.gz ZVBPMLAIRVLODT-WRWORJQWSA-N 0 1 295.160 3.594 20 0 CHADMN Cc1ccc([C@H](C)C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000901552262 956338114 /nfs/dbraw/zinc/33/81/14/956338114.db2.gz MUFBVIJGJQULQK-HZPDHXFCSA-N 0 1 289.419 3.675 20 0 CHADMN CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903695655 956880388 /nfs/dbraw/zinc/88/03/88/956880388.db2.gz FOARWNRRSWSIAW-KGLIPLIRSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1ccc([C@H](C)[N@@H+](C)CCC2(C(=O)[O-])CCC2)cc1 ZINC000903696309 956884765 /nfs/dbraw/zinc/88/47/65/956884765.db2.gz FANJFFPKHGZZSV-AWEZNQCLSA-N 0 1 275.392 3.633 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903697924 956886999 /nfs/dbraw/zinc/88/69/99/956886999.db2.gz OKKDQGDNCRALJT-CQSZACIVSA-N 0 1 267.413 3.676 20 0 CHADMN Cc1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])s2)cc1C ZINC001231466105 957251755 /nfs/dbraw/zinc/25/17/55/957251755.db2.gz SOWOXHYLGFQOMO-UHFFFAOYSA-N 0 1 289.400 3.695 20 0 CHADMN CCC(CC)C[N@@H+](CC)[C@H](C(=O)[O-])c1ccccc1 ZINC000048970678 957471556 /nfs/dbraw/zinc/47/15/56/957471556.db2.gz YKCBMOYWNYXSPM-HNNXBMFYSA-N 0 1 263.381 3.570 20 0 CHADMN O=C([O-])[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccccc1 ZINC000061329325 957579228 /nfs/dbraw/zinc/57/92/28/957579228.db2.gz KBCUQXZEPDNLKY-HIFRSBDPSA-N 0 1 287.384 3.541 20 0 CHADMN C[C@H]1CCC[C@H]([N@@H+](C)Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000062754028 957607838 /nfs/dbraw/zinc/60/78/38/957607838.db2.gz JKSFCWCTYMLUKM-FZMZJTMJSA-N 0 1 279.355 3.534 20 0 CHADMN C[C@@H]1CCC[C@@H](C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)C1 ZINC000124627274 958541278 /nfs/dbraw/zinc/54/12/78/958541278.db2.gz HCPBLIUBCTYEGE-ZIAGYGMSSA-N 0 1 287.403 3.569 20 0 CHADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC000135043306 958882325 /nfs/dbraw/zinc/88/23/25/958882325.db2.gz DFGZEMHQPOLLMH-HNNXBMFYSA-N 0 1 281.440 3.780 20 0 CHADMN COCCC[C@H](NCc1ccoc1)c1ccc(F)cc1 ZINC000282045946 1125470618 /nfs/dbraw/zinc/47/06/18/1125470618.db2.gz VAHRRGTZQDADHD-INIZCTEOSA-N 0 1 277.339 3.676 20 0 CHADMN Fc1ccc([C@H](N[C@@H]2C[C@H]2C(F)F)c2cccnc2)cc1 ZINC000348285867 1125470715 /nfs/dbraw/zinc/47/07/15/1125470715.db2.gz XIBCXHVRHQOGCT-KFWWJZLASA-N 0 1 292.304 3.553 20 0 CHADMN C[C@@H]1CCC[C@@H](CC[N@H+]2[C@H](C)CCC[C@@H]2C(=O)[O-])C1 ZINC001573716128 959870729 /nfs/dbraw/zinc/87/07/29/959870729.db2.gz OKKJIXNKQZRSOP-APIJFGDWSA-N 0 1 267.413 3.530 20 0 CHADMN CCCC[C@H](CC)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000227030277 959913260 /nfs/dbraw/zinc/91/32/60/959913260.db2.gz MVVSWAUWOCFQBB-YOEHRIQHSA-N 0 1 289.419 3.887 20 0 CHADMN C[N@@H+](CC(=O)[O-])[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001604112482 972514077 /nfs/dbraw/zinc/51/40/77/972514077.db2.gz WNSOSRAMAPLIIM-OAHLLOKOSA-N 0 1 281.783 3.588 20 0 CHADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1CCc1ccc2ccccc2c1 ZINC001574265574 960576517 /nfs/dbraw/zinc/57/65/17/960576517.db2.gz FDNQMQOTSAYBIK-RDTXWAMCSA-N 0 1 297.398 3.710 20 0 CHADMN C[C@]1(F)CCN(Cc2ccccc2C2CC2)C[C@H]1F ZINC001139880190 1117756031 /nfs/dbraw/zinc/75/60/31/1117756031.db2.gz CKENEESNFMGMJP-CVEARBPZSA-N 0 1 265.347 3.836 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2c(C)cccc2Cl)C1 ZINC001573821957 960966554 /nfs/dbraw/zinc/96/65/54/960966554.db2.gz ACSQKSFPYMUKAO-MRXNPFEDSA-N 0 1 295.810 3.725 20 0 CHADMN C[C@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CCC1(F)F ZINC000579766681 1117784556 /nfs/dbraw/zinc/78/45/56/1117784556.db2.gz CZLUMISFDMFKOL-HZMBPMFUSA-N 0 1 269.310 3.790 20 0 CHADMN CC(C)C[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001326546864 961107543 /nfs/dbraw/zinc/10/75/43/961107543.db2.gz HOURWFOKJCRCFZ-DOMZBBRYSA-N 0 1 295.810 3.834 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000252557350 961273585 /nfs/dbraw/zinc/27/35/85/961273585.db2.gz UBWIIXLBEUZTCR-UPJWGTAASA-N 0 1 277.364 3.551 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC001588797445 961406049 /nfs/dbraw/zinc/40/60/49/961406049.db2.gz NWIGEEHWPBGPMM-GOEBONIOSA-N 0 1 267.413 3.698 20 0 CHADMN Fc1ccc(F)c(CNC[C@@H]2CCCS2)c1Cl ZINC000623445378 1117856496 /nfs/dbraw/zinc/85/64/96/1117856496.db2.gz OJBURYXIXICGJE-QMMMGPOBSA-N 0 1 277.767 3.603 20 0 CHADMN CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185614599 1117858212 /nfs/dbraw/zinc/85/82/12/1117858212.db2.gz HSVQPVWFHFRABM-QWHCGFSZSA-N 0 1 299.842 3.741 20 0 CHADMN C[N@@H+](Cc1cccc2ccccc21)C(C)(C)CC(=O)[O-] ZINC001333136454 961650822 /nfs/dbraw/zinc/65/08/22/961650822.db2.gz LYPXFDSYAFNLAR-UHFFFAOYSA-N 0 1 271.360 3.525 20 0 CHADMN Cc1oc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC001334011503 961741599 /nfs/dbraw/zinc/74/15/99/961741599.db2.gz YFZXMPLYYQTGRO-AAEUAGOBSA-N 0 1 279.380 3.544 20 0 CHADMN Cc1oc(C[N@H+](C)Cc2ccc(C3CC3)cc2)cc1C(=O)[O-] ZINC001334768515 961816674 /nfs/dbraw/zinc/81/66/74/961816674.db2.gz PLHKRYOVLXKLSR-UHFFFAOYSA-N 0 1 299.370 3.796 20 0 CHADMN C[N@@H+](CCCC(=O)[O-])Cc1ccc(-c2ccsc2)cc1 ZINC001574007945 961912072 /nfs/dbraw/zinc/91/20/72/961912072.db2.gz SJMJSLDVMXDRDZ-UHFFFAOYSA-N 0 1 289.400 3.712 20 0 CHADMN CCc1nocc1C[N@@H+](C)CCSC1CCCCC1 ZINC000339609534 1117916100 /nfs/dbraw/zinc/91/61/00/1117916100.db2.gz YAVBEIAPNGCPSR-UHFFFAOYSA-N 0 1 282.453 3.735 20 0 CHADMN CCc1nocc1CN(C)CCSC1CCCCC1 ZINC000339609534 1117916106 /nfs/dbraw/zinc/91/61/06/1117916106.db2.gz YAVBEIAPNGCPSR-UHFFFAOYSA-N 0 1 282.453 3.735 20 0 CHADMN FC[C@@H]1CCCN1Cc1ccc(C(F)(F)F)cc1 ZINC000339663667 1117950542 /nfs/dbraw/zinc/95/05/42/1117950542.db2.gz KPVNDOBQRADTAN-LBPRGKRZSA-N 0 1 261.262 3.639 20 0 CHADMN CC1=C[C@H](C)CN(Cc2ccccc2OC(F)F)C1 ZINC000430265466 1117956916 /nfs/dbraw/zinc/95/69/16/1117956916.db2.gz VFEYNVVHOSQXIV-NSHDSACASA-N 0 1 267.319 3.686 20 0 CHADMN Cc1nc2ccc(NC(=O)c3ccc(Cl)s3)cc2[nH]1 ZINC000048433293 1125483479 /nfs/dbraw/zinc/48/34/79/1125483479.db2.gz ZNNVBMIXJRYYOM-UHFFFAOYSA-N 0 1 291.763 3.839 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000307816319 963228572 /nfs/dbraw/zinc/22/85/72/963228572.db2.gz MJECABLDEHFERA-GFCCVEGCSA-N 0 1 279.380 3.544 20 0 CHADMN CCCC[C@@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1F ZINC000312040709 963530189 /nfs/dbraw/zinc/53/01/89/963530189.db2.gz WAVIRQKDKOBELP-LLVKDONJSA-N 0 1 267.344 3.534 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@@H+]([C@@H]1C=CCCCCC1)CC2 ZINC000313846469 963685382 /nfs/dbraw/zinc/68/53/82/963685382.db2.gz IZBIRKNPFSRTCV-QGZVFWFLSA-N 0 1 285.387 3.632 20 0 CHADMN C[C@@H](c1ccc(F)cc1)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000315853118 963943351 /nfs/dbraw/zinc/94/33/51/963943351.db2.gz HDWAHGUDDDAKNX-YVEFUNNKSA-N 0 1 299.345 3.571 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000131701534 967630148 /nfs/dbraw/zinc/63/01/48/967630148.db2.gz YMSBFBMWSYGKEJ-INIZCTEOSA-N 0 1 297.345 3.701 20 0 CHADMN CC1(C)CCC(C[N@H+]2CCCC[C@H]2CC(=O)[O-])CC1 ZINC000311903855 967952671 /nfs/dbraw/zinc/95/26/71/967952671.db2.gz CUZIUGCZJSTQNL-AWEZNQCLSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)(C)c1cccc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000662201902 968752336 /nfs/dbraw/zinc/75/23/36/968752336.db2.gz VNLGGOJHHPCAFR-OAHLLOKOSA-N 0 1 289.419 3.671 20 0 CHADMN CCc1ccc(C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000317149666 970332480 /nfs/dbraw/zinc/33/24/80/970332480.db2.gz WSIVLJMMNDVFQA-UHFFFAOYSA-N 0 1 295.382 3.506 20 0 CHADMN Cc1cc(C)cc(C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC000317517987 970366960 /nfs/dbraw/zinc/36/69/60/970366960.db2.gz RKZPLEKBISTCSS-UHFFFAOYSA-N 0 1 295.382 3.560 20 0 CHADMN CCOC(=O)[C@@H](CC(C)C)N(CC)CCc1cccs1 ZINC001167205816 1118097939 /nfs/dbraw/zinc/09/79/39/1118097939.db2.gz IYAQFLONSWULAQ-OAHLLOKOSA-N 0 1 297.464 3.590 20 0 CHADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1CCCc1ccc(Cl)cc1 ZINC001605004371 972604986 /nfs/dbraw/zinc/60/49/86/972604986.db2.gz RHLHNRZFMBKTOG-IUODEOHRSA-N 0 1 295.810 3.600 20 0 CHADMN O=C([O-])[C@@H]1CCCCC[N@H+]1CCC1CCCCCC1 ZINC000394522986 972717373 /nfs/dbraw/zinc/71/73/73/972717373.db2.gz BYBZHIHMUGGTKY-HNNXBMFYSA-N 0 1 267.413 3.676 20 0 CHADMN C[C@@H]1CCCC[C@H]1C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000394863139 972763690 /nfs/dbraw/zinc/76/36/90/972763690.db2.gz RMQGSHGIAWTWBW-CJNGLKHVSA-N 0 1 275.392 3.643 20 0 CHADMN CN(Cc1cnc(-c2ccc(F)cc2)s1)C1CC1 ZINC001140092623 1118109150 /nfs/dbraw/zinc/10/91/50/1118109150.db2.gz MECWOYJUHVVVFZ-UHFFFAOYSA-N 0 1 262.353 3.543 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)[C@@H](C)[C@H]1C ZINC000399526214 973225212 /nfs/dbraw/zinc/22/52/12/973225212.db2.gz FESBEGWGKXHYPZ-VWYCJHECSA-N 0 1 281.783 3.515 20 0 CHADMN Clc1ccc(CN2CC[C@@H]3OCC[C@H]3C2)c(Cl)c1 ZINC001203392996 1118122702 /nfs/dbraw/zinc/12/27/02/1118122702.db2.gz ROMOMUYALZUIQD-FZMZJTMJSA-N 0 1 286.202 3.604 20 0 CHADMN CC[C@H]1CCCC[C@H]1[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC001603619768 973917761 /nfs/dbraw/zinc/91/77/61/973917761.db2.gz JWCRMVJVMPJNEU-UONOGXRCSA-N 0 1 267.413 3.532 20 0 CHADMN O=C([O-])c1ccc(C[NH2+]Cc2c(F)cccc2Cl)s1 ZINC001606491129 973974535 /nfs/dbraw/zinc/97/45/35/973974535.db2.gz JEQFDYFWGDFOJX-UHFFFAOYSA-N 0 1 299.754 3.529 20 0 CHADMN Cc1cc([C@H](C)[N@H+]2CC[C@H](c3ccccc3)C2)oc1C(=O)[O-] ZINC000515659064 974300336 /nfs/dbraw/zinc/30/03/36/974300336.db2.gz BWBBMNLPTJRVDX-ZFWWWQNUSA-N 0 1 299.370 3.837 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCC[C@@H]2C2CCCCC2)cs1 ZINC000516656305 974308947 /nfs/dbraw/zinc/30/89/47/974308947.db2.gz BNJUGYFYAZHZCO-CQSZACIVSA-N 0 1 293.432 3.991 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000519599945 974330735 /nfs/dbraw/zinc/33/07/35/974330735.db2.gz FCWGIEQAHZPEGG-CABCVRRESA-N 0 1 281.440 3.778 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000519600051 974330814 /nfs/dbraw/zinc/33/08/14/974330814.db2.gz FCWGIEQAHZPEGG-HUUCEWRRSA-N 0 1 281.440 3.778 20 0 CHADMN C[C@H]1CC(C)(C)C[N@H+]1[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000520823463 974341361 /nfs/dbraw/zinc/34/13/61/974341361.db2.gz GVJSFMLKNFWYOY-ZANVPECISA-N 0 1 299.773 3.725 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)C[C@H](C)C1CCCCC1 ZINC000530174388 974363156 /nfs/dbraw/zinc/36/31/56/974363156.db2.gz WYHBVJYJIAVYLW-LBPRGKRZSA-N 0 1 293.407 3.934 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)CCC1CCCCC1 ZINC000565101797 974567817 /nfs/dbraw/zinc/56/78/17/974567817.db2.gz XMIWBLWWZPKEFL-CQSZACIVSA-N 0 1 255.402 3.532 20 0 CHADMN Cc1c(C)c(C)c(C[N@H+](CC(=O)[O-])C(C)C)c(C)c1C ZINC000567619920 974639125 /nfs/dbraw/zinc/63/91/25/974639125.db2.gz IXDKPTOTXAJDEN-UHFFFAOYSA-N 0 1 277.408 3.524 20 0 CHADMN O=C([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000568060987 974656894 /nfs/dbraw/zinc/65/68/94/974656894.db2.gz VVIHYSFCERGYNE-IAQYHMDHSA-N 0 1 293.794 3.803 20 0 CHADMN CCC[N@@H+](CC1CCCCC1)[C@@H](CC(C)C)C(=O)[O-] ZINC000568281309 974663932 /nfs/dbraw/zinc/66/39/32/974663932.db2.gz GXVFZEVGCWWBCN-HNNXBMFYSA-N 0 1 269.429 3.778 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC000568478758 974671023 /nfs/dbraw/zinc/67/10/23/974671023.db2.gz JGPKDPFWCDKJFB-XYPHTWIQSA-N 0 1 287.403 3.785 20 0 CHADMN CC(C)C[N@@H+](C)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000568871030 974679465 /nfs/dbraw/zinc/67/94/65/974679465.db2.gz BHQOGSPCAMSBTL-LBPRGKRZSA-N 0 1 290.190 3.707 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc2ccccc21 ZINC000572249343 974744646 /nfs/dbraw/zinc/74/46/46/974744646.db2.gz FYNRUPAGWPSWSJ-QGZVFWFLSA-N 0 1 285.387 3.915 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000574165209 974777916 /nfs/dbraw/zinc/77/79/16/974777916.db2.gz XLVQFMSJOQUZJH-NSHDSACASA-N 0 1 281.783 3.660 20 0 CHADMN Cc1cc([C@H](C)[N@H+]2CC[C@@H](C)C(C)(C)C2)oc1C(=O)[O-] ZINC000579248496 974871970 /nfs/dbraw/zinc/87/19/70/974871970.db2.gz OCQPKCYFOYPLIQ-NEPJUHHUSA-N 0 1 279.380 3.715 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCCC2(CCCCC2)C1 ZINC000579364320 974873998 /nfs/dbraw/zinc/87/39/98/974873998.db2.gz CRCFPZMGJXAXQX-AWEZNQCLSA-N 0 1 267.413 3.676 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000579722427 974881869 /nfs/dbraw/zinc/88/18/69/974881869.db2.gz KDTLOJXJURNLOO-JTQLQIEISA-N 0 1 281.421 3.623 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@](C)(CC)C1 ZINC000583999447 974949084 /nfs/dbraw/zinc/94/90/84/974949084.db2.gz JTNKPZPHIHSNGL-MRXNPFEDSA-N 0 1 279.380 3.552 20 0 CHADMN O=C([O-])C[C@H]1CCC[N@H+]1CCCCc1cccc(Cl)c1 ZINC000622001924 975064530 /nfs/dbraw/zinc/06/45/30/975064530.db2.gz OFKRPMVQENIUHF-OAHLLOKOSA-N 0 1 295.810 3.602 20 0 CHADMN C/C=C/C[C@H]1CCC[N@@H+](Cc2ccsc2C(=O)[O-])C1 ZINC000629375915 975089952 /nfs/dbraw/zinc/08/99/52/975089952.db2.gz PHASPQIIMZYBQP-JDGPPOGSSA-N 0 1 279.405 3.625 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000629376694 975091022 /nfs/dbraw/zinc/09/10/22/975091022.db2.gz ZTQMIEFMWWQUQB-LLEDDSNTSA-N 0 1 291.366 3.630 20 0 CHADMN CCC(CC)C[N@@H+](CC)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC000634690668 975271389 /nfs/dbraw/zinc/27/13/89/975271389.db2.gz QODLKFZIXLKSPP-INIZCTEOSA-N 0 1 293.407 3.579 20 0 CHADMN C[C@@H](C[N@@H+](C)[C@H](C(=O)[O-])c1ccc(F)cc1)C(C)(C)C ZINC000634697533 975275119 /nfs/dbraw/zinc/27/51/19/975275119.db2.gz LNSHFBDDDJIARX-FZMZJTMJSA-N 0 1 281.371 3.565 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000634697699 975275346 /nfs/dbraw/zinc/27/53/46/975275346.db2.gz PAAJCESGSBSOQQ-CQSZACIVSA-N 0 1 291.391 3.688 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1Cl ZINC000652389574 975518229 /nfs/dbraw/zinc/51/82/29/975518229.db2.gz MYONOPKUERKWOF-CQSZACIVSA-N 0 1 281.783 3.659 20 0 CHADMN CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1(C(=O)[O-])CC1 ZINC000652403736 975523304 /nfs/dbraw/zinc/52/33/04/975523304.db2.gz HHKLZGVBKZBZND-CVEARBPZSA-N 0 1 287.403 3.509 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccsc2)CC1 ZINC000652415536 975526046 /nfs/dbraw/zinc/52/60/46/975526046.db2.gz YZRLZTDGWFDPLR-JSGCOSHPSA-N 0 1 281.421 3.632 20 0 CHADMN C[C@@H]1CCCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1Cl ZINC000652413672 975526092 /nfs/dbraw/zinc/52/60/92/975526092.db2.gz BDPPXHNOPMKHLP-LLVKDONJSA-N 0 1 281.783 3.803 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccsc2)CC1 ZINC000652415538 975526638 /nfs/dbraw/zinc/52/66/38/975526638.db2.gz YZRLZTDGWFDPLR-TZMCWYRMSA-N 0 1 281.421 3.632 20 0 CHADMN CC1(C)CCC(C[N@@H+](CC(=O)[O-])C2CCCCC2)CC1 ZINC000652482085 975548900 /nfs/dbraw/zinc/54/89/00/975548900.db2.gz MGYIUXRFSRIXRJ-UHFFFAOYSA-N 0 1 281.440 3.922 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2=CCCCC2)[C@H]2CCCC[C@@H]12 ZINC000656764320 975695155 /nfs/dbraw/zinc/69/51/55/975695155.db2.gz GBXFCCRXNKRSMA-BBWFWOEESA-N 0 1 291.435 3.842 20 0 CHADMN CCC1(CC)CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2)C1 ZINC000656764498 975695213 /nfs/dbraw/zinc/69/52/13/975695213.db2.gz YHMVBEWUYOYVCU-HNNXBMFYSA-N 0 1 275.392 3.715 20 0 CHADMN CC(C)C[N@H+](CCC(=O)[O-])CC[C@H]1CCc2ccccc21 ZINC000659788449 975873743 /nfs/dbraw/zinc/87/37/43/975873743.db2.gz OGFGNPIJVBHRHR-MRXNPFEDSA-N 0 1 289.419 3.539 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCCC[C@@H]2CC2CCC2)cs1 ZINC000659804017 975894870 /nfs/dbraw/zinc/89/48/70/975894870.db2.gz SBKCSRCXSPBCOY-CQSZACIVSA-N 0 1 293.432 3.991 20 0 CHADMN CC(C)c1[nH]c(C[N@H+]2CC[C@@H](C(C)(C)C)C2)cc1C(=O)[O-] ZINC001591913103 976354584 /nfs/dbraw/zinc/35/45/84/976354584.db2.gz XKBXYOYKJHBBMR-GFCCVEGCSA-N 0 1 292.423 3.704 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc1 ZINC001591948287 976498249 /nfs/dbraw/zinc/49/82/49/976498249.db2.gz DELLJABYIWSPJZ-DEYYWGMASA-N 0 1 289.419 3.914 20 0 CHADMN CC(C)c1ccc(C[N@@H+](CC(=O)[O-])C2CC2)c(C(C)C)c1 ZINC001591954370 976525093 /nfs/dbraw/zinc/52/50/93/976525093.db2.gz SZRDNVASFVBTTQ-UHFFFAOYSA-N 0 1 289.419 3.982 20 0 CHADMN CCC(CC)C[N@@H+](CC)Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701822827 977045697 /nfs/dbraw/zinc/04/56/97/977045697.db2.gz IULBHKKKZKGQEV-UHFFFAOYSA-N 0 1 277.408 3.951 20 0 CHADMN Cc1ccc(CN2C[C@@H](CF)[C@H](C(F)(F)F)C2)cc1F ZINC001205205577 1118147278 /nfs/dbraw/zinc/14/72/78/1118147278.db2.gz AAERSEVWLCSPOW-VXGBXAGGSA-N 0 1 293.279 3.714 20 0 CHADMN CC[C@H]1CCCCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000711483071 977550128 /nfs/dbraw/zinc/55/01/28/977550128.db2.gz AHIJUWMXXOPQHS-LBPRGKRZSA-N 0 1 267.394 3.601 20 0 CHADMN C[C@@H]([NH2+]CC1(C2CC2)CC1)c1cc(Cl)ccc1[O-] ZINC000186161780 1118207032 /nfs/dbraw/zinc/20/70/32/1118207032.db2.gz FWYGOMRZRLRMNW-SNVBAGLBSA-N 0 1 265.784 3.886 20 0 CHADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1ccccc1CC(=O)[O-] ZINC000846255998 979428221 /nfs/dbraw/zinc/42/82/21/979428221.db2.gz WXNAPOJJVITZDJ-YOEHRIQHSA-N 0 1 289.419 3.714 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000859810449 979640365 /nfs/dbraw/zinc/64/03/65/979640365.db2.gz OJVNONDDESPMTN-GDBMZVCRSA-N 0 1 267.413 3.556 20 0 CHADMN Cc1nc(C)c(CN[C@H](C)c2cccc(C)c2C)o1 ZINC000683900372 1118434300 /nfs/dbraw/zinc/43/43/00/1118434300.db2.gz UUEFEKLEKZTKDG-GFCCVEGCSA-N 0 1 258.365 3.759 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000872158827 980041839 /nfs/dbraw/zinc/04/18/39/980041839.db2.gz ISLLTCFZVXNIOD-ZDUSSCGKSA-N 0 1 281.421 3.847 20 0 CHADMN C[C@@H](C[N@@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-])C(C)(C)C ZINC000872159407 980043082 /nfs/dbraw/zinc/04/30/82/980043082.db2.gz GMNOXRNLZISPRT-GJZGRUSLSA-N 0 1 291.435 3.892 20 0 CHADMN CCc1oc(C[N@H+](CC)C2CCCCC2)cc1C(=O)[O-] ZINC000901417648 980264278 /nfs/dbraw/zinc/26/42/78/980264278.db2.gz RMTYDAMNWPLZAW-UHFFFAOYSA-N 0 1 279.380 3.695 20 0 CHADMN CC[C@@H]1CCCC[C@H]1C[N@@H+](CCC(=O)[O-])CC(C)C ZINC000901592227 980397148 /nfs/dbraw/zinc/39/71/48/980397148.db2.gz BTKPPDYBHZLJSP-CABCVRRESA-N 0 1 269.429 3.636 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@@H+](CC(=O)[O-])CC(C)C ZINC000901590694 980397484 /nfs/dbraw/zinc/39/74/84/980397484.db2.gz QQYLOJQONIJKPZ-HNNXBMFYSA-N 0 1 269.429 3.802 20 0 CHADMN CCc1cccc(Cl)c1C[N@@H+](CCC(=O)[O-])CC(C)C ZINC000901594853 980398425 /nfs/dbraw/zinc/39/84/25/980398425.db2.gz HVLXXWPMIKOKTJ-UHFFFAOYSA-N 0 1 297.826 3.835 20 0 CHADMN CC(C)C[N@@H+](CC1CCCCC1)CC(C)(C)C(=O)[O-] ZINC000901841189 980559862 /nfs/dbraw/zinc/55/98/62/980559862.db2.gz UICWSGHAYMCWJN-UHFFFAOYSA-N 0 1 269.429 3.636 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000901902390 980616030 /nfs/dbraw/zinc/61/60/30/980616030.db2.gz DULWESCFFWSRCB-HYVNUMGLSA-N 0 1 293.451 3.802 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000901984597 980665561 /nfs/dbraw/zinc/66/55/61/980665561.db2.gz NLXKXEKMYLUGRC-CABCVRRESA-N 0 1 299.480 3.651 20 0 CHADMN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000902048564 980712995 /nfs/dbraw/zinc/71/29/95/980712995.db2.gz XITLCZNLTTZZNO-WJNMYVKJSA-N 0 1 299.414 3.713 20 0 CHADMN C/C(=C\c1ccccc1)C[N@H+](C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000902272568 980811765 /nfs/dbraw/zinc/81/17/65/980811765.db2.gz NYZCLZIVIKEEDR-UKTHLTGXSA-N 0 1 299.370 3.822 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000902282355 980816504 /nfs/dbraw/zinc/81/65/04/980816504.db2.gz QMHHFKRDAZQPCJ-ZPUOCTKUSA-N 0 1 291.391 3.780 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000902521268 980919370 /nfs/dbraw/zinc/91/93/70/980919370.db2.gz PLWBVCZKLQDCFT-LSDHHAIUSA-N 0 1 289.419 3.674 20 0 CHADMN C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902530825 980923549 /nfs/dbraw/zinc/92/35/49/980923549.db2.gz QYZOVLNOQGBAPD-LBPRGKRZSA-N 0 1 285.343 3.629 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902531525 980923866 /nfs/dbraw/zinc/92/38/66/980923866.db2.gz VGSAHPBGQBCTHB-BWZZMRCASA-N 0 1 291.391 3.778 20 0 CHADMN C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902532785 980925164 /nfs/dbraw/zinc/92/51/64/980925164.db2.gz UATUARDUYYOSSL-GFCCVEGCSA-N 0 1 298.386 3.553 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000902545895 980928047 /nfs/dbraw/zinc/92/80/47/980928047.db2.gz NDZHMVFFHBKLDL-NSHDSACASA-N 0 1 279.380 3.687 20 0 CHADMN Cc1cc(F)cc(NC(=O)c2ccc(Cl)cc2O)c1 ZINC000091516344 1118580997 /nfs/dbraw/zinc/58/09/97/1118580997.db2.gz HKOWYPMPRARVJL-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000903598374 980981352 /nfs/dbraw/zinc/98/13/52/980981352.db2.gz VYHAGNIBSHYUSI-BFHYXJOUSA-N 0 1 269.429 3.634 20 0 CHADMN CC(F)(F)CCC[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000903601866 980983600 /nfs/dbraw/zinc/98/36/00/980983600.db2.gz ITZOLTRRWKNBBY-UHFFFAOYSA-N 0 1 299.361 3.789 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001595444176 981086429 /nfs/dbraw/zinc/08/64/29/981086429.db2.gz KDQLLJUDJDCHSH-DOMZBBRYSA-N 0 1 279.380 3.687 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001595628869 981792251 /nfs/dbraw/zinc/79/22/51/981792251.db2.gz OSZCOUREUIMSTC-DZGCQCFKSA-N 0 1 295.810 3.773 20 0 CHADMN CC[C@](C)(C(=O)[O-])[N@@H+](CCC1CCCC1)CC1CC1 ZINC001594787432 981819760 /nfs/dbraw/zinc/81/97/60/981819760.db2.gz DPNSGIFIZPQQAH-MRXNPFEDSA-N 0 1 267.413 3.532 20 0 CHADMN CCC(C)(C)[N@@H+](C)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001594805071 981905069 /nfs/dbraw/zinc/90/50/69/981905069.db2.gz QSTBKGUYZMENFT-UHFFFAOYSA-N 0 1 286.375 3.553 20 0 CHADMN Cc1cc(CN2CCC[C@H](C(C)(C)C)CC2)no1 ZINC000341442575 1118708160 /nfs/dbraw/zinc/70/81/60/1118708160.db2.gz RZVNDNODEASTMJ-ZDUSSCGKSA-N 0 1 250.386 3.631 20 0 CHADMN CCCC[N@@H+](Cc1occc1C(=O)[O-])C1CCCCC1 ZINC001595748375 982418946 /nfs/dbraw/zinc/41/89/46/982418946.db2.gz YQHFWZCEDAZGBS-UHFFFAOYSA-N 0 1 279.380 3.913 20 0 CHADMN CC[C@H](C)C[N@@H+](CC)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001594961009 982713926 /nfs/dbraw/zinc/71/39/26/982713926.db2.gz SSMCJOSEMQBOEM-FZMZJTMJSA-N 0 1 283.799 3.834 20 0 CHADMN Clc1cc(CN2CCCC3(CCC3)C2)ccn1 ZINC000375671535 1119021822 /nfs/dbraw/zinc/02/18/22/1119021822.db2.gz IEMLDEOLIYFWML-UHFFFAOYSA-N 0 1 250.773 3.501 20 0 CHADMN C[C@@H]1CC[C@@H](NC(=O)c2ccc(Cl)c(O)c2)[C@@H](C)C1 ZINC001136800028 1131446964 /nfs/dbraw/zinc/44/69/64/1131446964.db2.gz KIYZKWKQQMMFSI-GBIKHYSHSA-N 0 1 281.783 3.600 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1ccccc1C ZINC001596358016 983831922 /nfs/dbraw/zinc/83/19/22/983831922.db2.gz YRAITLCFKFZTER-UHFFFAOYSA-N 0 1 283.371 3.715 20 0 CHADMN Clc1sccc1CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000342822245 1119195597 /nfs/dbraw/zinc/19/55/97/1119195597.db2.gz KLQBGZVFKNHUPS-VXGBXAGGSA-N 0 1 271.813 3.545 20 0 CHADMN CC(C)N(Cc1ccno1)Cc1cccc(Cl)c1 ZINC000077257467 1119191582 /nfs/dbraw/zinc/19/15/82/1119191582.db2.gz CLZHOVSZDKKXEK-UHFFFAOYSA-N 0 1 264.756 3.739 20 0 CHADMN Cc1csc([C@H](C)NCCc2c(F)cccc2F)n1 ZINC000402027846 1119259130 /nfs/dbraw/zinc/25/91/30/1119259130.db2.gz UHOKCTACQSSKOP-JTQLQIEISA-N 0 1 282.359 3.623 20 0 CHADMN Cc1cnc([C@H](C)NCCc2c(F)cccc2F)s1 ZINC000402022405 1119259607 /nfs/dbraw/zinc/25/96/07/1119259607.db2.gz QGJQIVDUEGHJKZ-JTQLQIEISA-N 0 1 282.359 3.623 20 0 CHADMN C/C(=C/C[N@@H+](Cc1c(C)cccc1C)CC(C)C)C(=O)[O-] ZINC001588959135 984720671 /nfs/dbraw/zinc/72/06/71/984720671.db2.gz WAVBMNMAWSWZSL-SXGWCWSVSA-N 0 1 289.419 3.792 20 0 CHADMN Cc1[nH]c(C[N@H+](C)C2CCCCCCC2)cc1C(=O)[O-] ZINC001599961889 985799102 /nfs/dbraw/zinc/79/91/02/985799102.db2.gz KLNSPWBLGBHXMN-UHFFFAOYSA-N 0 1 278.396 3.566 20 0 CHADMN Cc1[nH]c(C[N@H+](CCC(C)C)C2CCCC2)cc1C(=O)[O-] ZINC001599962249 985808283 /nfs/dbraw/zinc/80/82/83/985808283.db2.gz NIJYEDGQYPNVQV-UHFFFAOYSA-N 0 1 292.423 3.812 20 0 CHADMN c1cc(CNCc2cnc(-c3ccsc3)s2)co1 ZINC000343696119 1119488758 /nfs/dbraw/zinc/48/87/58/1119488758.db2.gz REGHPEAHSJNFSZ-UHFFFAOYSA-N 0 1 276.386 3.754 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1cc(C(C)(C)C)on1 ZINC000685564015 1119631247 /nfs/dbraw/zinc/63/12/47/1119631247.db2.gz JAHMBVSZFDGQRJ-RYUDHWBXSA-N 0 1 250.386 3.735 20 0 CHADMN Cc1nc(CN(C)C[C@@H](C)Cc2ccccc2)cs1 ZINC000132154753 1125499751 /nfs/dbraw/zinc/49/97/51/1125499751.db2.gz QVDVEXYGTDRXAZ-ZDUSSCGKSA-N 0 1 274.433 3.762 20 0 CHADMN CCC[C@@H](NC/C=C/CO)c1ccc(Cl)cc1Cl ZINC000658140432 1119692015 /nfs/dbraw/zinc/69/20/15/1119692015.db2.gz RTXVANHTJGPOTH-RDFMZFSFSA-N 0 1 288.218 3.973 20 0 CHADMN CCc1ccc([C@H]2CC[N@@H+](CCC(C)(C)C(=O)[O-])C2)cc1 ZINC001597516329 988127647 /nfs/dbraw/zinc/12/76/47/988127647.db2.gz CWKOEQGXGIGPLG-INIZCTEOSA-N 0 1 289.419 3.539 20 0 CHADMN CC(C)(C)[N@H+](Cc1ccsc1)Cc1cc(C(=O)[O-])co1 ZINC001589796497 988195486 /nfs/dbraw/zinc/19/54/86/988195486.db2.gz RRILECQRVIQTEO-UHFFFAOYSA-N 0 1 293.388 3.840 20 0 CHADMN CCc1nc2c(s1)[C@H](NCc1scnc1C)CCC2 ZINC000132427766 1125502383 /nfs/dbraw/zinc/50/23/83/1125502383.db2.gz QLQCXBSETXLEBK-SNVBAGLBSA-N 0 1 293.461 3.638 20 0 CHADMN CCc1ccc([C@H](C)[NH2+][C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001597563609 988317513 /nfs/dbraw/zinc/31/75/13/988317513.db2.gz QAGPMSNLLCJFQH-NHYWBVRUSA-N 0 1 289.400 3.787 20 0 CHADMN CC(C)c1cc(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)n[nH]1 ZINC000115452465 1125503729 /nfs/dbraw/zinc/50/37/29/1125503729.db2.gz SWALALVXISJPHH-DZGCQCFKSA-N 0 1 297.402 3.551 20 0 CHADMN CC(C)c1nnc(CN2C[C@H](c3ccccc3)C[C@H]2C)o1 ZINC000115555163 1125504114 /nfs/dbraw/zinc/50/41/14/1125504114.db2.gz NBQVPKPELPMVAA-UKRRQHHQSA-N 0 1 285.391 3.571 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)[C@H](C)C1 ZINC001599849436 988988408 /nfs/dbraw/zinc/98/84/08/988988408.db2.gz WBNYCPSYGQXHPR-CHWSQXEVSA-N 0 1 298.386 3.553 20 0 CHADMN CC(C)(C)c1nc(CN2CCCC2(C)C)cs1 ZINC000170872832 1119961302 /nfs/dbraw/zinc/96/13/02/1119961302.db2.gz OBHFJUMLSHBAHP-UHFFFAOYSA-N 0 1 252.427 3.815 20 0 CHADMN CC[C@@H](C)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000170916342 1119969534 /nfs/dbraw/zinc/96/95/34/1119969534.db2.gz QIHNEVOUINZOHQ-OLZOCXBDSA-N 0 1 296.842 3.590 20 0 CHADMN CCC1(CC)CN(Cc2nc(C)sc2C)CCS1 ZINC000362246509 1120122558 /nfs/dbraw/zinc/12/25/58/1120122558.db2.gz RFEYVASBWZTMRG-UHFFFAOYSA-N 0 1 284.494 3.868 20 0 CHADMN C[C@H](NCCOC1CCCC1)c1cccc(F)c1F ZINC000183244535 1120132172 /nfs/dbraw/zinc/13/21/72/1120132172.db2.gz FPEXZWUPJMXLCD-NSHDSACASA-N 0 1 269.335 3.575 20 0 CHADMN CC(C)[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(Cl)cc2)C1 ZINC001591087462 991608837 /nfs/dbraw/zinc/60/88/37/991608837.db2.gz MWRHOJPGEGDZHP-HIFRSBDPSA-N 0 1 295.810 3.834 20 0 CHADMN C[N@@H+](C[C@H]1CCCC(C)(C)C1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598453446 991914327 /nfs/dbraw/zinc/91/43/27/991914327.db2.gz JMRBGQXXJBPXDS-GOEBONIOSA-N 0 1 289.419 3.961 20 0 CHADMN C[N@@H+](C[C@@H]1CCCC[C@@H]1C(=O)[O-])C1CCC(C)(C)CC1 ZINC001598455927 991935579 /nfs/dbraw/zinc/93/55/79/991935579.db2.gz QJTCOVNPGFZNAM-ZFWWWQNUSA-N 0 1 281.440 3.778 20 0 CHADMN C[N@@H+](C/C=C\c1ccc(F)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC001598467741 991978627 /nfs/dbraw/zinc/97/86/27/991978627.db2.gz AHYSSDFMEJNGOM-IHWYPQMZSA-N 0 1 299.345 3.669 20 0 CHADMN CC(C)C[C@]1(C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC001591191733 992004443 /nfs/dbraw/zinc/00/44/43/992004443.db2.gz DWZUWKBSUVCRCR-KRWDZBQOSA-N 0 1 293.382 3.925 20 0 CHADMN CC(C)C[C@@H]1CCC[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001591207276 992038981 /nfs/dbraw/zinc/03/89/81/992038981.db2.gz HKJLMVJYAZUBPT-DANTVBBOSA-N 0 1 291.391 3.636 20 0 CHADMN C[N@@H+](CCC1CCCCC1)Cc1cc(C(=O)[O-])ccc1F ZINC001598472167 992043641 /nfs/dbraw/zinc/04/36/41/992043641.db2.gz LDXUQUWVTLPABR-UHFFFAOYSA-N 0 1 293.382 3.926 20 0 CHADMN C[C@@H](NCc1c(F)cccc1Cl)[C@H]1CCCCO1 ZINC000393652921 1120207526 /nfs/dbraw/zinc/20/75/26/1120207526.db2.gz RDWPNLKHGNXKOM-QMTHXVAHSA-N 0 1 271.763 3.526 20 0 CHADMN C[C@@H]1[C@@H](C)N(Cc2cc(Cl)sc2Cl)CCN1C ZINC001168675638 1120228322 /nfs/dbraw/zinc/22/83/22/1120228322.db2.gz DXICZOMGIXBSPF-RKDXNWHRSA-N 0 1 293.263 3.579 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])cn1)[C@@H](C)c1ccccc1 ZINC001591597017 992826299 /nfs/dbraw/zinc/82/62/99/992826299.db2.gz VVPITUCYECQYPH-AWEZNQCLSA-N 0 1 298.386 3.751 20 0 CHADMN CC(C)[N@H+]1CCCC[C@@H]1CSc1ccc(C(=O)[O-])cc1 ZINC001591628996 992916772 /nfs/dbraw/zinc/91/67/72/992916772.db2.gz CXIOXLJLENNOMZ-CQSZACIVSA-N 0 1 293.432 3.740 20 0 CHADMN Clc1ncsc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC001137823008 1120320986 /nfs/dbraw/zinc/32/09/86/1120320986.db2.gz NYVZDJWECAANRB-QWRGUYRKSA-N 0 1 270.829 3.951 20 0 CHADMN CC[C@@H](CSc1nc(C)c(-c2ccccc2)[nH]1)OC ZINC000416902021 1120382537 /nfs/dbraw/zinc/38/25/37/1120382537.db2.gz CUVOKCSPWKDMFC-ZDUSSCGKSA-N 0 1 276.405 3.902 20 0 CHADMN C[C@@H]([NH2+]Cc1cc2ccccc2o1)c1cc(C(=O)[O-])co1 ZINC001593293283 994683142 /nfs/dbraw/zinc/68/31/42/994683142.db2.gz TWHZVLODVBVLDU-SNVBAGLBSA-N 0 1 285.299 3.575 20 0 CHADMN CCC[C@H](NCc1conc1CC)c1ccccc1 ZINC000660174347 1120415287 /nfs/dbraw/zinc/41/52/87/1120415287.db2.gz LIAPORJGLQKSTC-INIZCTEOSA-N 0 1 258.365 3.868 20 0 CHADMN Cc1cccc(NC(=O)c2ccc(O)c(Cl)c2)c1 ZINC000019836795 1120470703 /nfs/dbraw/zinc/47/07/03/1120470703.db2.gz INDJCFGWXOEQEM-UHFFFAOYSA-N 0 1 261.708 3.606 20 0 CHADMN C[C@H](NCc1nc(C(C)(C)C)co1)C1CCC(F)CC1 ZINC000922260623 1120487924 /nfs/dbraw/zinc/48/79/24/1120487924.db2.gz LJLUNHFVKACIPP-HIFPTAJRSA-N 0 1 282.403 3.979 20 0 CHADMN Cc1c([C@@H](C)N[C@H](C)c2csc(Cl)c2)cnn1C ZINC000191167607 1120516107 /nfs/dbraw/zinc/51/61/07/1120516107.db2.gz YCOVRDJFBOHJLR-RKDXNWHRSA-N 0 1 283.828 3.855 20 0 CHADMN CC(C)n1ncnc1CN1CCC(C)(C)CC(C)(C)C1 ZINC000661626433 1120567827 /nfs/dbraw/zinc/56/78/27/1120567827.db2.gz JJRQGDAIVPOQAT-UHFFFAOYSA-N 0 1 278.444 3.507 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@@H+](Cc2noc3c2CCCC3)C1 ZINC000125339242 1120605516 /nfs/dbraw/zinc/60/55/16/1120605516.db2.gz CSKROKYDTVZLEU-OLZOCXBDSA-N 0 1 262.397 3.564 20 0 CHADMN CC1(C)CCC[C@@H](C[N@@H+](CCC(F)(F)F)CC(=O)[O-])C1 ZINC001593884317 996720153 /nfs/dbraw/zinc/72/01/53/996720153.db2.gz BGCWTTZHONBYTD-LLVKDONJSA-N 0 1 295.345 3.542 20 0 CHADMN CC1(C)CCCC[C@H]1C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC001593903469 996774201 /nfs/dbraw/zinc/77/42/01/996774201.db2.gz BFQTWSJGPLRVFC-UONOGXRCSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)N(CC(=O)NCC(C)(C)C)[C@H](C)c1ccsc1 ZINC000625482568 1120691711 /nfs/dbraw/zinc/69/17/11/1120691711.db2.gz RCQPUPNVZPKGBQ-CYBMUJFWSA-N 0 1 296.480 3.682 20 0 CHADMN CC(C)N(Cc1csc(C2CC2)n1)C1CCC1 ZINC000162009700 1120934752 /nfs/dbraw/zinc/93/47/52/1120934752.db2.gz ZOULHMCHJYTFNR-UHFFFAOYSA-N 0 1 250.411 3.783 20 0 CHADMN CCN(CC)c1ncc(CNCc2cscc2C)s1 ZINC000094877643 1121237710 /nfs/dbraw/zinc/23/77/10/1121237710.db2.gz FBZBZXUCSVNFTM-UHFFFAOYSA-N 0 1 295.477 3.649 20 0 CHADMN CCC(=O)CCCN(C)[C@H](C)c1ccccc1F ZINC000232844070 1121268469 /nfs/dbraw/zinc/26/84/69/1121268469.db2.gz KDLRAXCHCWGHOO-GFCCVEGCSA-N 0 1 251.345 3.578 20 0 CHADMN C[C@@H](O)C[C@H]1CCCN1Cc1ccc(C(F)(F)F)s1 ZINC000432752358 1121317362 /nfs/dbraw/zinc/31/73/62/1121317362.db2.gz LFHUONILGKBAAB-NXEZZACHSA-N 0 1 293.354 3.502 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1nnc(C(C)(C)C)[nH]1)C1CC1 ZINC000432821024 1121386225 /nfs/dbraw/zinc/38/62/25/1121386225.db2.gz VJOAWFQSMXYUQI-VXGBXAGGSA-N 0 1 278.444 3.501 20 0 CHADMN CCCCOc1ccc(NCc2cnc[nH]2)c(C)c1 ZINC000894107384 1121528357 /nfs/dbraw/zinc/52/83/57/1121528357.db2.gz UZLZXIAPTFVXKZ-UHFFFAOYSA-N 0 1 259.353 3.509 20 0 CHADMN COc1ccc(C)cc1CNCc1ccsc1C ZINC000645146009 1121563931 /nfs/dbraw/zinc/56/39/31/1121563931.db2.gz HSZUQGXXXWRXLT-UHFFFAOYSA-N 0 1 261.390 3.663 20 0 CHADMN CC(C)=CCC[C@H](C)CCN[C@@H](C)c1csnn1 ZINC000414553571 1122154918 /nfs/dbraw/zinc/15/49/18/1122154918.db2.gz SQWRZAOPCZNGKN-STQMWFEESA-N 0 1 267.442 3.961 20 0 CHADMN Fc1ccc(CCN2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC001183144720 1122207685 /nfs/dbraw/zinc/20/76/85/1122207685.db2.gz BVVUGKJRSACCLW-LLVKDONJSA-N 0 1 293.279 3.782 20 0 CHADMN c1csc([C@@H]2CCCN2Cc2ccns2)c1 ZINC000637867299 1122300482 /nfs/dbraw/zinc/30/04/82/1122300482.db2.gz UIIXBXBRMPQLHL-NSHDSACASA-N 0 1 250.392 3.542 20 0 CHADMN CC1(C)CCC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000514867248 1122460281 /nfs/dbraw/zinc/46/02/81/1122460281.db2.gz RSORIAIPCDXXAT-UHFFFAOYSA-N 0 1 281.783 3.660 20 0 CHADMN CC(C)[C@H]1N(C(=O)c2ccc(O)c(Cl)c2)CC1(C)C ZINC000437000656 1122603311 /nfs/dbraw/zinc/60/33/11/1122603311.db2.gz AJMSSKNUUTVIMM-CYBMUJFWSA-N 0 1 281.783 3.552 20 0 CHADMN COc1ncc(CN2[C@@H](C)CCC2(C)C)cc1Cl ZINC001195074419 1122838442 /nfs/dbraw/zinc/83/84/42/1122838442.db2.gz ISJLAYLYCCYUHJ-JTQLQIEISA-N 0 1 268.788 3.507 20 0 CHADMN CSC[C@H]1CCCN(Cc2cc(C)cnc2Cl)C1 ZINC000894599420 1122879812 /nfs/dbraw/zinc/87/98/12/1122879812.db2.gz WGNLJRBJHWNEPQ-LBPRGKRZSA-N 0 1 284.856 3.618 20 0 CHADMN CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)o1 ZINC000894708745 1122896937 /nfs/dbraw/zinc/89/69/37/1122896937.db2.gz XKFMXFHFVMTZAM-WDEREUQCSA-N 0 1 291.313 3.841 20 0 CHADMN CCOc1ccc(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)o1 ZINC000894708745 1122896943 /nfs/dbraw/zinc/89/69/43/1122896943.db2.gz XKFMXFHFVMTZAM-WDEREUQCSA-N 0 1 291.313 3.841 20 0 CHADMN CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)o1 ZINC000894708742 1122897185 /nfs/dbraw/zinc/89/71/85/1122897185.db2.gz XKFMXFHFVMTZAM-GHMZBOCLSA-N 0 1 291.313 3.841 20 0 CHADMN CCOc1ccc(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)o1 ZINC000894708742 1122897190 /nfs/dbraw/zinc/89/71/90/1122897190.db2.gz XKFMXFHFVMTZAM-GHMZBOCLSA-N 0 1 291.313 3.841 20 0 CHADMN COCCN(CCC1CC1)Cc1ccc(F)cc1Cl ZINC000441311861 1123076364 /nfs/dbraw/zinc/07/63/64/1123076364.db2.gz NZSSCCVBLQIOHF-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cnc(N)s1 ZINC000094193124 1123180729 /nfs/dbraw/zinc/18/07/29/1123180729.db2.gz JJRJXIYGXRGBDV-VIFPVBQESA-N 0 1 281.812 3.572 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)N(C)Cc1cnc(N)s1 ZINC000094193124 1123180733 /nfs/dbraw/zinc/18/07/33/1123180733.db2.gz JJRJXIYGXRGBDV-VIFPVBQESA-N 0 1 281.812 3.572 20 0 CHADMN CC[C@@H]1CCC[C@H](C)N1Cc1cnc(Cl)s1 ZINC000852712522 1123412381 /nfs/dbraw/zinc/41/23/81/1123412381.db2.gz RGMFNZHTITYTMD-VHSXEESVSA-N 0 1 258.818 3.950 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1ccnc(Br)c1 ZINC000852700861 1123412637 /nfs/dbraw/zinc/41/26/37/1123412637.db2.gz UNOYVXFJJDFYIK-VGPLMAKISA-N 0 1 295.224 3.607 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccc1N(C)C)c1ccns1 ZINC000858578251 1123664484 /nfs/dbraw/zinc/66/44/84/1123664484.db2.gz TWDLZKSOSBECGT-NWDGAFQWSA-N 0 1 275.421 3.621 20 0 CHADMN CSCC1CCN(Cc2cnc(C(C)C)s2)CC1 ZINC000896937288 1123789314 /nfs/dbraw/zinc/78/93/14/1123789314.db2.gz NVKFTOQZTXDQEF-UHFFFAOYSA-N 0 1 284.494 3.842 20 0 CHADMN CC(C)CCc1noc(CN2CCC[C@H](C(C)C)C2)n1 ZINC000444748664 1124059043 /nfs/dbraw/zinc/05/90/43/1124059043.db2.gz RANRWWJJUYEXFD-AWEZNQCLSA-N 0 1 279.428 3.526 20 0 CHADMN CCc1ccc(CN[C@H](CCOC)c2ccco2)s1 ZINC000543729384 1124103203 /nfs/dbraw/zinc/10/32/03/1124103203.db2.gz BUPGTNMHOBUIHI-CQSZACIVSA-N 0 1 279.405 3.771 20 0 CHADMN CN(Cc1ccnc(Cl)c1F)[C@H]1CCC(C)(C)C1 ZINC000824321394 1131463726 /nfs/dbraw/zinc/46/37/26/1131463726.db2.gz RSFFEEGPUBNETG-NSHDSACASA-N 0 1 270.779 3.885 20 0 CHADMN CC[C@@H](NCc1c(F)ccc(F)c1Cl)[C@@H](O)C(C)C ZINC000529605999 1125012928 /nfs/dbraw/zinc/01/29/28/1125012928.db2.gz HCFJKYFQIOWDHW-OCCSQVGLSA-N 0 1 291.769 3.503 20 0 CHADMN CC[C@@](C)(NCc1ccc(Cl)nn1)c1ccccc1 ZINC000877046790 1125002040 /nfs/dbraw/zinc/00/20/40/1125002040.db2.gz TXKKIMCMGAZHLC-OAHLLOKOSA-N 0 1 275.783 3.545 20 0 CHADMN CC[C@@H](Cc1ccc(Cl)cc1)NC(CF)CF ZINC000826029301 1125130985 /nfs/dbraw/zinc/13/09/85/1125130985.db2.gz CURPYZCRNUKUSR-LBPRGKRZSA-N 0 1 261.743 3.558 20 0 CHADMN CCc1nc([C@@H](C)NC[C@@H]2CCCC(C)(C)O2)cs1 ZINC000878418940 1125151945 /nfs/dbraw/zinc/15/19/45/1125151945.db2.gz SVTLKYCJKQPQJL-NEPJUHHUSA-N 0 1 282.453 3.704 20 0 CHADMN CC[C@@H](NCc1cnn(CC)c1)c1sccc1Cl ZINC000883203745 1125377445 /nfs/dbraw/zinc/37/74/45/1125377445.db2.gz KGTCEYXFRDVBRR-GFCCVEGCSA-N 0 1 283.828 3.859 20 0 CHADMN CSc1ccc(CNCc2c(C)cccc2C)o1 ZINC000883048437 1125369657 /nfs/dbraw/zinc/36/96/57/1125369657.db2.gz OMEBNOFTCRUSRH-UHFFFAOYSA-N 0 1 261.390 3.908 20 0 CHADMN Clc1cncc(CN2CCCC3(CCC3)C2)c1 ZINC001136997815 1131502500 /nfs/dbraw/zinc/50/25/00/1131502500.db2.gz PMMFUIHWPPWMPW-UHFFFAOYSA-N 0 1 250.773 3.501 20 0 CHADMN Cc1c(F)cc(F)cc1CN1CC[C@@]2(CC2(F)F)C1 ZINC001143764519 1131529557 /nfs/dbraw/zinc/52/95/57/1131529557.db2.gz ROFIFRDFRVZEIM-CYBMUJFWSA-N 0 1 273.273 3.504 20 0 CHADMN COc1c(F)cc(CN2CCC[C@H](C)C2)cc1Cl ZINC001143836798 1131537923 /nfs/dbraw/zinc/53/79/23/1131537923.db2.gz BVYXJJRXZGJBPR-JTQLQIEISA-N 0 1 271.763 3.720 20 0 CHADMN CCOc1ccc(F)c(CN(C)C(CC)CC)c1F ZINC001143943255 1131557192 /nfs/dbraw/zinc/55/71/92/1131557192.db2.gz UTPILVOHWFAHBX-UHFFFAOYSA-N 0 1 271.351 3.984 20 0 CHADMN CN(Cc1cc(F)cnc1Cl)CC1CCCCC1 ZINC001138896182 1131558594 /nfs/dbraw/zinc/55/85/94/1131558594.db2.gz VENXLWLCOFUKEA-UHFFFAOYSA-N 0 1 270.779 3.886 20 0 CHADMN F[C@@H]1CCCN(Cc2sccc2Br)CC1 ZINC001139309072 1131601596 /nfs/dbraw/zinc/60/15/96/1131601596.db2.gz DWFHVGOICCMFFB-SECBINFHSA-N 0 1 292.217 3.835 20 0 CHADMN CCC1(C[N@H+]2CCC[C@@H]2c2ccc(Cl)s2)COC1 ZINC001202962859 1131631572 /nfs/dbraw/zinc/63/15/72/1131631572.db2.gz QSXJMESVDFOKTI-LLVKDONJSA-N 0 1 285.840 3.965 20 0 CHADMN CC[N@H+]1CCC[C@@H](Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227647566 1131720443 /nfs/dbraw/zinc/72/04/43/1131720443.db2.gz ZVCZIVNTCRSORR-SECBINFHSA-N 0 1 290.190 3.562 20 0 CHADMN CCCOC1CCN(Cc2c(Cl)cccc2OC)CC1 ZINC001140729439 1131900781 /nfs/dbraw/zinc/90/07/81/1131900781.db2.gz LQSMHWYRYZMRBK-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN Oc1cc(Cl)cc(CN2CCC3(CCC3)CC2)c1 ZINC001140787239 1131918665 /nfs/dbraw/zinc/91/86/65/1131918665.db2.gz CBBBJBIDVVEDTN-UHFFFAOYSA-N 0 1 265.784 3.812 20 0 CHADMN CCOc1ccc([C@H](C)N[C@@H](C)c2ccns2)cc1 ZINC000715934803 1131997569 /nfs/dbraw/zinc/99/75/69/1131997569.db2.gz YVESFWONIKOIRQ-RYUDHWBXSA-N 0 1 276.405 3.954 20 0 CHADMN CC[C@@H](C)N(C)Cc1cccc(C)c1Br ZINC001141089029 1132009605 /nfs/dbraw/zinc/00/96/05/1132009605.db2.gz FVCIQBPRDRBGSJ-LLVKDONJSA-N 0 1 270.214 3.988 20 0 CHADMN COc1cc(Cl)ccc1CN1CCC[C@H](CCF)C1 ZINC001171955005 1132110966 /nfs/dbraw/zinc/11/09/66/1132110966.db2.gz VRFFTBXLEUKNOB-GFCCVEGCSA-N 0 1 285.790 3.920 20 0 CHADMN COc1c(F)ccc(F)c1CN(C)CC1CCCCC1 ZINC001231414509 1132291236 /nfs/dbraw/zinc/29/12/36/1132291236.db2.gz WVBLDUKJJZFTJD-UHFFFAOYSA-N 0 1 283.362 3.986 20 0 CHADMN C[C@@H](CSc1ccc(Cl)cc1)N1CCOCC1(C)C ZINC001172877084 1132355875 /nfs/dbraw/zinc/35/58/75/1132355875.db2.gz DFMAHHYMDAOEGZ-LBPRGKRZSA-N 0 1 299.867 3.931 20 0 CHADMN C[C@@H](CSc1ccc(Cl)cc1)N1CCCC12COC2 ZINC001172877673 1132356824 /nfs/dbraw/zinc/35/68/24/1132356824.db2.gz FOZMRXLQHHHPJH-LBPRGKRZSA-N 0 1 297.851 3.685 20 0 CHADMN C[C@H]1CCCN1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001231856346 1132380681 /nfs/dbraw/zinc/38/06/81/1132380681.db2.gz MLDFRRSLQJBVHQ-QMMMGPOBSA-N 0 1 279.252 3.968 20 0 CHADMN C[C@H]1C[N@H+](C2CCC3(CCCCC3)CC2)CCC1=O ZINC001173118045 1132398018 /nfs/dbraw/zinc/39/80/18/1132398018.db2.gz RAICHNFSRXRBMJ-AWEZNQCLSA-N 0 1 263.425 3.790 20 0 CHADMN C[C@H]1CN(C2CCC3(CCCCC3)CC2)CCC1=O ZINC001173118045 1132398026 /nfs/dbraw/zinc/39/80/26/1132398026.db2.gz RAICHNFSRXRBMJ-AWEZNQCLSA-N 0 1 263.425 3.790 20 0 CHADMN CC(C)C1CCN(Cc2ccnc(C(F)F)c2)CC1 ZINC001231893031 1132395110 /nfs/dbraw/zinc/39/51/10/1132395110.db2.gz QMZJCZMDYQXKCT-UHFFFAOYSA-N 0 1 268.351 3.887 20 0 CHADMN Cc1cc(Br)cnc1C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC001232049216 1132413840 /nfs/dbraw/zinc/41/38/40/1132413840.db2.gz UABPPMNXIQVJMD-JQWIXIFHSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1cc(Br)cnc1CN1CCC[C@H](C)[C@@H]1C ZINC001232049216 1132413844 /nfs/dbraw/zinc/41/38/44/1132413844.db2.gz UABPPMNXIQVJMD-JQWIXIFHSA-N 0 1 297.240 3.773 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)cc1C(=O)[O-])CC(C)(C)C ZINC001142656832 1132418282 /nfs/dbraw/zinc/41/82/82/1132418282.db2.gz KJCAJOSNHQZEPM-UHFFFAOYSA-N 0 1 269.772 3.516 20 0 CHADMN FC(F)(F)c1cc(CN2CCCCCCC2)ccn1 ZINC001232241253 1132442029 /nfs/dbraw/zinc/44/20/29/1132442029.db2.gz LBTRQHOKFODMDN-UHFFFAOYSA-N 0 1 272.314 3.867 20 0 CHADMN CCCCC[C@@H](CC)c1nc([C@@H]2CCCN2)no1 ZINC000842638402 1132446918 /nfs/dbraw/zinc/44/69/18/1132446918.db2.gz KWBSHAHPTPPZPY-NEPJUHHUSA-N 0 1 251.374 3.568 20 0 CHADMN COc1cc(Cl)ccc1CN1CC[C@H](C)C[C@@H]1C ZINC001232501516 1132480997 /nfs/dbraw/zinc/48/09/97/1132480997.db2.gz VSMWYWMUYVRVSR-RYUDHWBXSA-N 0 1 267.800 3.969 20 0 CHADMN Cc1ccccc1CN(C)Cc1ccnc(Cl)c1C ZINC001232753116 1132515922 /nfs/dbraw/zinc/51/59/22/1132515922.db2.gz UESVOEINQAUFRA-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CC[C@@H]1CCCN1Cc1cc(Br)cc(OC)c1 ZINC001233214976 1132583150 /nfs/dbraw/zinc/58/31/50/1132583150.db2.gz IZYZMLDQCFQWRJ-CYBMUJFWSA-N 0 1 298.224 3.832 20 0 CHADMN COc1ccc(CN2C[C@H](C)C[C@H](C)C2)c(Cl)c1O ZINC001233400962 1132615610 /nfs/dbraw/zinc/61/56/10/1132615610.db2.gz GNWHGMPOOOLOMU-PHIMTYICSA-N 0 1 283.799 3.532 20 0 CHADMN FC(F)(F)c1ccc(Nc2ccncc2)c(Cl)c1 ZINC001173882457 1132623631 /nfs/dbraw/zinc/62/36/31/1132623631.db2.gz LOBNEIDNZYYWTQ-UHFFFAOYSA-N 0 1 272.657 3.919 20 0 CHADMN CCCCCN(C)Cc1cn2c(cccc2Cl)n1 ZINC001233550813 1132635415 /nfs/dbraw/zinc/63/54/15/1132635415.db2.gz KZSVXVWKZIYAMP-UHFFFAOYSA-N 0 1 265.788 3.610 20 0 CHADMN CC(C)c1ccc(CN2CCOC[C@H]2C(C)C)cc1 ZINC001204168877 1133413751 /nfs/dbraw/zinc/41/37/51/1133413751.db2.gz VJRGXXHEKWGSQR-KRWDZBQOSA-N 0 1 261.409 3.667 20 0 CHADMN Fc1cccc(CN2CCC23CCCCC3)c1F ZINC001204193601 1133418218 /nfs/dbraw/zinc/41/82/18/1133418218.db2.gz PNEOFNJYHQHPGZ-UHFFFAOYSA-N 0 1 251.320 3.873 20 0 CHADMN CCNc1ccccc1C[N@@H+](C)Cc1ccsc1 ZINC001205629087 1133596034 /nfs/dbraw/zinc/59/60/34/1133596034.db2.gz QYRRWDLUOHTKBJ-UHFFFAOYSA-N 0 1 260.406 3.812 20 0 CHADMN CCNc1ccccc1CN(C)Cc1ccsc1 ZINC001205629087 1133596037 /nfs/dbraw/zinc/59/60/37/1133596037.db2.gz QYRRWDLUOHTKBJ-UHFFFAOYSA-N 0 1 260.406 3.812 20 0 CHADMN CC[C@@H](C)N(C)Cc1c(F)cccc1OC(F)F ZINC001207115458 1133769168 /nfs/dbraw/zinc/76/91/68/1133769168.db2.gz UGPNDHCYHVNNFG-SECBINFHSA-N 0 1 261.287 3.657 20 0 CHADMN C[C@@H](CCN1CCN(c2nccs2)CC1)CC(C)(C)C ZINC001208653706 1133922958 /nfs/dbraw/zinc/92/29/58/1133922958.db2.gz ISSGRCDJTCVUET-AWEZNQCLSA-N 0 1 295.496 3.728 20 0 CHADMN O=c1[nH]cccc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210924980 1134329863 /nfs/dbraw/zinc/32/98/63/1134329863.db2.gz ZTOPJIRHZPDQQI-UHFFFAOYSA-N 0 1 271.103 3.543 20 0 CHADMN CSc1cc(-n2cnc(C)c2N)cc(C(F)(F)F)c1 ZINC001214501324 1134546184 /nfs/dbraw/zinc/54/61/84/1134546184.db2.gz XHLKECAAUDWVTR-UHFFFAOYSA-N 0 1 287.310 3.504 20 0 CHADMN CC[C@@H](CC1CCCCC1)N[C@@H](C)c1csnn1 ZINC000720987783 1135505316 /nfs/dbraw/zinc/50/53/16/1135505316.db2.gz UVTBNCDHIGVONL-AAEUAGOBSA-N 0 1 267.442 3.938 20 0 CHADMN CCc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccnc(N)c2)o1 ZINC000331935905 1125509917 /nfs/dbraw/zinc/50/99/17/1125509917.db2.gz QKQOPZDEOYTYFD-BBRMVZONSA-N 0 1 299.418 3.623 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cc2nccs2)CC1 ZINC000135084500 1125521820 /nfs/dbraw/zinc/52/18/20/1125521820.db2.gz QGHPQVOUZQCAJR-LBPRGKRZSA-N 0 1 252.427 3.791 20 0 CHADMN CCCN(Cc1nccs1)[C@H]1C[C@H](OCC)C1(C)C ZINC000135096380 1125522065 /nfs/dbraw/zinc/52/20/65/1125522065.db2.gz OHXBZDGIGMGHLN-STQMWFEESA-N 0 1 282.453 3.559 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1Cc1nc([C@@H](C)OCC)no1 ZINC000135324680 1125524486 /nfs/dbraw/zinc/52/44/86/1125524486.db2.gz JVQJIVMOEUGTDZ-BFHYXJOUSA-N 0 1 295.427 3.568 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccncc1 ZINC000118888419 1125525771 /nfs/dbraw/zinc/52/57/71/1125525771.db2.gz ANIKSRIWEXTULP-NSHDSACASA-N 0 1 262.303 3.553 20 0 CHADMN CCc1ccc(-c2noc(CN(C)[C@H]3CC[C@@H](C)C3)n2)cc1 ZINC000429565955 1125525878 /nfs/dbraw/zinc/52/58/78/1125525878.db2.gz IWCUNKZFIYEWIA-CJNGLKHVSA-N 0 1 299.418 3.919 20 0 CHADMN Cc1occc1CN(C)Cc1cccc2cccnc21 ZINC000055054419 1125530300 /nfs/dbraw/zinc/53/03/00/1125530300.db2.gz LSADTXGJUDHOFZ-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN Cc1cc(CNC2(c3ccc4c(c3)OCO4)CC2)ccc1F ZINC000532707386 1125540046 /nfs/dbraw/zinc/54/00/46/1125540046.db2.gz DLXAAKJLEGHYRP-UHFFFAOYSA-N 0 1 299.345 3.642 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000532711436 1125544365 /nfs/dbraw/zinc/54/43/65/1125544365.db2.gz BVACSGYCWWKOOF-ABAIWWIYSA-N 0 1 297.345 3.603 20 0 CHADMN Cc1coc(CNCc2cc3c(s2)CCCC3)c1 ZINC001649166331 1125548070 /nfs/dbraw/zinc/54/80/70/1125548070.db2.gz PAPHAMAWWJITQY-UHFFFAOYSA-N 0 1 261.390 3.818 20 0 CHADMN COC(=O)c1sccc1CN1CCC[C@H]2CCCC[C@@H]21 ZINC000393221203 1125552986 /nfs/dbraw/zinc/55/29/86/1125552986.db2.gz URISATJZPYNNSE-OCCSQVGLSA-N 0 1 293.432 3.689 20 0 CHADMN C[C@H](NCc1ccc(C(C)(C)C)cc1)c1cnccn1 ZINC000120968020 1125554304 /nfs/dbraw/zinc/55/43/04/1125554304.db2.gz YQKDSZIZCVHMTM-ZDUSSCGKSA-N 0 1 269.392 3.625 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(-c3ccco3)on2)CC1 ZINC000194540434 1125557372 /nfs/dbraw/zinc/55/73/72/1125557372.db2.gz BWVHFMXOJPYPIN-GFCCVEGCSA-N 0 1 260.337 3.557 20 0 CHADMN Cc1noc(C)c1CNCc1ccc(C(F)F)cc1 ZINC000150180328 1125557731 /nfs/dbraw/zinc/55/77/31/1125557731.db2.gz LZTLMJOYWIZTBJ-UHFFFAOYSA-N 0 1 266.291 3.519 20 0 CHADMN C[C@H](Nc1ccnc2cc(F)ccc21)c1ccc[nH]1 ZINC000760271668 1125558495 /nfs/dbraw/zinc/55/84/95/1125558495.db2.gz GRYVECIRDBLFQC-JTQLQIEISA-N 0 1 255.296 3.875 20 0 CHADMN CN(Cc1cnc(C2CCCCC2)s1)C1CC1 ZINC000536638546 1125565654 /nfs/dbraw/zinc/56/56/54/1125565654.db2.gz COALANZRFARESV-UHFFFAOYSA-N 0 1 250.411 3.785 20 0 CHADMN C[C@H](NCc1ccc2c[nH]nc2c1)c1ccc(F)cc1F ZINC000237591278 1125565810 /nfs/dbraw/zinc/56/58/10/1125565810.db2.gz OGEMPNGIDPQSJB-JTQLQIEISA-N 0 1 287.313 3.692 20 0 CHADMN Cc1ccc2nc(CN3CC4(CCC4)C3)ccc2c1 ZINC001137210849 1125569505 /nfs/dbraw/zinc/56/95/05/1125569505.db2.gz GIFDOXBSNSHHIP-UHFFFAOYSA-N 0 1 252.361 3.529 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2nnc(C)o2)CC[C@@H]1c1ccccc1 ZINC000245407593 1125571594 /nfs/dbraw/zinc/57/15/94/1125571594.db2.gz BVLYNHCRDRZXKB-UNEWFSDZSA-N 0 1 299.418 3.955 20 0 CHADMN Cc1nc2cc(Nc3cc(F)cc(C)c3O)ccc2[nH]1 ZINC001213075373 1125581193 /nfs/dbraw/zinc/58/11/93/1125581193.db2.gz QQWLVIYLGQPZMS-UHFFFAOYSA-N 0 1 271.295 3.768 20 0 CHADMN CC[C@@H](CN[C@@H](CC)c1nc(C(F)(F)F)cs1)OC ZINC000419234452 1125584373 /nfs/dbraw/zinc/58/43/73/1125584373.db2.gz BUNOCMYPBXIZGM-IUCAKERBSA-N 0 1 296.358 3.628 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cccnc1 ZINC000245604770 1125584486 /nfs/dbraw/zinc/58/44/86/1125584486.db2.gz LWATXJNMDNHAFE-QGTPRVQTSA-N 0 1 282.387 3.653 20 0 CHADMN Cc1ccnc(NC[C@@]2(C)CCOC3(CCC3)C2)c1 ZINC000884703217 1125589101 /nfs/dbraw/zinc/58/91/01/1125589101.db2.gz UWBMUHAORWKWCM-HNNXBMFYSA-N 0 1 260.381 3.541 20 0 CHADMN CCCCN(CC(=O)Nc1ccc(SC)cc1)C1CC1 ZINC000532921300 1125590094 /nfs/dbraw/zinc/59/00/94/1125590094.db2.gz UKHOIFMAABYIMD-UHFFFAOYSA-N 0 1 292.448 3.612 20 0 CHADMN C[C@@H]1CCN(Cc2cnc3ccccn23)[C@H]2CCCC[C@@H]12 ZINC000532917468 1125590776 /nfs/dbraw/zinc/59/07/76/1125590776.db2.gz JDDGIOGQSXRNEG-PVAVHDDUSA-N 0 1 283.419 3.735 20 0 CHADMN Oc1c(Cl)cccc1NC(=S)NCc1ccccc1 ZINC000168481543 1125595667 /nfs/dbraw/zinc/59/56/67/1125595667.db2.gz DLSABKUZJJOIDG-UHFFFAOYSA-N 0 1 292.791 3.532 20 0 CHADMN C[C@H]1CN(Cc2cccc(O)c2)[C@H]1c1ccccc1 ZINC000245774808 1125595694 /nfs/dbraw/zinc/59/56/94/1125595694.db2.gz SMNFZSJBMCGCIG-SUMWQHHRSA-N 0 1 253.345 3.585 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@H](C)N1CC[C@@H](C)[C@H](C)C1 ZINC000245965034 1125600476 /nfs/dbraw/zinc/60/04/76/1125600476.db2.gz VJJYFLBXBJNCCH-WQVCFCJDSA-N 0 1 288.435 3.608 20 0 CHADMN COc1ncc(CN(C)[C@@H](C)c2cccs2)cc1Cl ZINC000533559128 1125615363 /nfs/dbraw/zinc/61/53/63/1125615363.db2.gz GIMMSKLSCSUFNU-JTQLQIEISA-N 0 1 296.823 3.998 20 0 CHADMN CN(Cc1ccc(Cl)cc1Cl)C[C@H]1CCC[C@@H]1O ZINC000533669067 1125621300 /nfs/dbraw/zinc/62/13/00/1125621300.db2.gz USVSJHXKAYKODP-RISCZKNCSA-N 0 1 288.218 3.586 20 0 CHADMN CC(C)(C)C[C@H](NCc1cc[nH]n1)c1ccc(F)cc1 ZINC000066973566 1125626272 /nfs/dbraw/zinc/62/62/72/1125626272.db2.gz WJPPUGPIXKSBIF-HNNXBMFYSA-N 0 1 275.371 3.816 20 0 CHADMN Cc1cc(C)c(NC(=O)CN2CCC[C@H](C)CC2)c(C)c1 ZINC000068837883 1125627966 /nfs/dbraw/zinc/62/79/66/1125627966.db2.gz MZSKBAAJKYNZRZ-ZDUSSCGKSA-N 0 1 288.435 3.672 20 0 CHADMN CCCCOc1cccc(NCc2n[nH]c(C)c2C)c1 ZINC000885938152 1125628525 /nfs/dbraw/zinc/62/85/25/1125628525.db2.gz TZWUTKKWFLKOIL-UHFFFAOYSA-N 0 1 273.380 3.818 20 0 CHADMN CCSc1ccc([C@H](C)NCc2[nH]nc(C)c2C)cc1 ZINC000885967392 1125631458 /nfs/dbraw/zinc/63/14/58/1125631458.db2.gz NQULWKTYKAFYOQ-ZDUSSCGKSA-N 0 1 289.448 3.989 20 0 CHADMN Cc1noc(C)c1[C@H](C)NC/C=C\c1cccc(F)c1 ZINC000885985347 1125633094 /nfs/dbraw/zinc/63/30/94/1125633094.db2.gz FLPPOHMBAONOSW-XOIDGJRKSA-N 0 1 274.339 3.795 20 0 CHADMN CC[C@@H](NCc1[nH]nc(C)c1C)c1ccc(Cl)s1 ZINC000885985864 1125633215 /nfs/dbraw/zinc/63/32/15/1125633215.db2.gz SXWKMFLBNKFFJT-SNVBAGLBSA-N 0 1 283.828 3.982 20 0 CHADMN Cc1cccc2nc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)cn21 ZINC000071950619 1125633789 /nfs/dbraw/zinc/63/37/89/1125633789.db2.gz XORJBAFAJPGSNG-RDJZCZTQSA-N 0 1 283.419 3.797 20 0 CHADMN Cc1cccc2nc(CN3CCC[C@@H]4CCCC[C@@H]43)cn21 ZINC000071950619 1125633791 /nfs/dbraw/zinc/63/37/91/1125633791.db2.gz XORJBAFAJPGSNG-RDJZCZTQSA-N 0 1 283.419 3.797 20 0 CHADMN CCCOc1cc(F)ccc1NCc1n[nH]c(C)c1C ZINC000886019332 1125638349 /nfs/dbraw/zinc/63/83/49/1125638349.db2.gz RAVAILASHRPTNW-UHFFFAOYSA-N 0 1 277.343 3.567 20 0 CHADMN Cc1[nH]nc(CNc2ccc(N3CCC(C)CC3)cc2)c1C ZINC000886027031 1125639707 /nfs/dbraw/zinc/63/97/07/1125639707.db2.gz BDNSRHJUDMBLIW-UHFFFAOYSA-N 0 1 298.434 3.875 20 0 CHADMN c1c[nH]c([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(CCC3)CO2)c1 ZINC000886049078 1125640907 /nfs/dbraw/zinc/64/09/07/1125640907.db2.gz FROHFUBTVGCFHW-GOEBONIOSA-N 0 1 274.408 3.501 20 0 CHADMN Cc1nc2ccc(NC(=O)CCc3ccccc3C)cc2[nH]1 ZINC000074819707 1125643021 /nfs/dbraw/zinc/64/30/21/1125643021.db2.gz JSNKUCHMUKNBLT-UHFFFAOYSA-N 0 1 293.370 3.751 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CCC[C@H](C)[C@H]1C ZINC000246529810 1125645054 /nfs/dbraw/zinc/64/50/54/1125645054.db2.gz CFGILXCQLJKNDU-DZGCQCFKSA-N 0 1 288.435 3.616 20 0 CHADMN FC(F)(F)SCCN1CCC(c2cccnc2)CC1 ZINC000886100377 1125649320 /nfs/dbraw/zinc/64/93/20/1125649320.db2.gz MGBSXCFYCXVSQR-UHFFFAOYSA-N 0 1 290.354 3.514 20 0 CHADMN CCS[C@H](C)c1noc(CN(C)[C@@H]2CCCC[C@H]2C)n1 ZINC000246992091 1125651490 /nfs/dbraw/zinc/65/14/90/1125651490.db2.gz PIIQIMJGBRBQAR-JHJVBQTASA-N 0 1 297.468 3.894 20 0 CHADMN Cn1cncc1Nc1cccc(F)c1OCc1ccccc1 ZINC001212018725 1125651872 /nfs/dbraw/zinc/65/18/72/1125651872.db2.gz FQSGMIAYDGJAAP-UHFFFAOYSA-N 0 1 297.333 3.882 20 0 CHADMN Cc1coc(CN[C@@H]2c3ccccc3CC23CCOCC3)c1 ZINC000886120613 1125652512 /nfs/dbraw/zinc/65/25/12/1125652512.db2.gz JRGGHCMRBPQLKV-GOSISDBHSA-N 0 1 297.398 3.772 20 0 CHADMN CC[C@@H](NCCSC(F)(F)F)c1nc(C)cs1 ZINC000886125602 1125652569 /nfs/dbraw/zinc/65/25/69/1125652569.db2.gz XBJCWMXOYZFSLC-MRVPVSSYSA-N 0 1 284.372 3.745 20 0 CHADMN CC[C@@H](NC[C@H]1CCC2(CCC2)CO1)c1nc(C)cs1 ZINC000886125350 1125652974 /nfs/dbraw/zinc/65/29/74/1125652974.db2.gz OZDDJWFGQFUYKX-ZIAGYGMSSA-N 0 1 294.464 3.842 20 0 CHADMN Cc1noc(C)c1C(C)(C)NC/C=C\c1cccc(F)c1 ZINC000886117008 1125653103 /nfs/dbraw/zinc/65/31/03/1125653103.db2.gz XFHKEJSIICPSRK-VURMDHGXSA-N 0 1 288.366 3.969 20 0 CHADMN C[C@H]1C[C@@H](c2cccnc2)N(CCSC(F)(F)F)C1 ZINC000886134396 1125654143 /nfs/dbraw/zinc/65/41/43/1125654143.db2.gz RDCFOCGRUPYILX-JQWIXIFHSA-N 0 1 290.354 3.718 20 0 CHADMN C[C@H]1CCN(Cc2ccccn2)[C@@H](c2ccco2)C1 ZINC000247197266 1125654681 /nfs/dbraw/zinc/65/46/81/1125654681.db2.gz BXMPQRZSWPUYID-DZGCQCFKSA-N 0 1 256.349 3.648 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000247107878 1125655334 /nfs/dbraw/zinc/65/53/34/1125655334.db2.gz QVMSYRRVBVVMMQ-VBKZILBWSA-N 0 1 287.428 3.617 20 0 CHADMN C[C@H]1C[C@H](c2cccc(F)c2)N(Cc2ccccn2)C1 ZINC000075842885 1125658536 /nfs/dbraw/zinc/65/85/36/1125658536.db2.gz IHTYFAVBLWZZRR-SUMWQHHRSA-N 0 1 270.351 3.804 20 0 CHADMN CSCCc1ccccc1NCc1n[nH]c(C)c1C ZINC000886174942 1125658930 /nfs/dbraw/zinc/65/89/30/1125658930.db2.gz MYGZUGDTGBVJTA-UHFFFAOYSA-N 0 1 275.421 3.544 20 0 CHADMN c1ccc(C2=CCCN(CCOC3CCCCC3)C2)nc1 ZINC000886218348 1125661580 /nfs/dbraw/zinc/66/15/80/1125661580.db2.gz SYTODDVBENYUAG-UHFFFAOYSA-N 0 1 286.419 3.520 20 0 CHADMN C[C@@H]1CCN(Cc2ncc(-c3cccs3)o2)[C@H]1C ZINC000248369354 1125664938 /nfs/dbraw/zinc/66/49/38/1125664938.db2.gz WEAPKIXDGQRHOO-MNOVXSKESA-N 0 1 262.378 3.633 20 0 CHADMN c1coc([C@H](Cc2ccccc2)NCC[C@@H]2C[C@H]2C2CC2)n1 ZINC000886272513 1125665734 /nfs/dbraw/zinc/66/57/34/1125665734.db2.gz RHEVNSZTOPVEOE-SQNIBIBYSA-N 0 1 296.414 3.984 20 0 CHADMN Cc1nnc([C@@H](C)N2CC[C@@H](c3cc(C)cc(C)c3)C2)o1 ZINC000248459119 1125669369 /nfs/dbraw/zinc/66/93/69/1125669369.db2.gz NKJQEUOZXRDNAP-UKRRQHHQSA-N 0 1 285.391 3.545 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC[C@@H]1C ZINC000076117824 1125669389 /nfs/dbraw/zinc/66/93/89/1125669389.db2.gz LGHZXJDSWUMNEC-GJZGRUSLSA-N 0 1 288.435 3.930 20 0 CHADMN C[C@H]1CCCN(Cc2nnc(-c3ccccc3)s2)[C@H]1C ZINC000248631243 1125672051 /nfs/dbraw/zinc/67/20/51/1125672051.db2.gz QTHCNLUAVJFOLO-STQMWFEESA-N 0 1 287.432 3.826 20 0 CHADMN CN(Cc1cccs1)Cc1cc(Cl)ccc1N ZINC000093631766 1125672837 /nfs/dbraw/zinc/67/28/37/1125672837.db2.gz HTYCPKFPXUHRKC-UHFFFAOYSA-N 0 1 266.797 3.616 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N1CCS[C@@H](C)CC1 ZINC000249037698 1125677183 /nfs/dbraw/zinc/67/71/83/1125677183.db2.gz MWLSKGMLCODFSW-NWDGAFQWSA-N 0 1 276.405 3.716 20 0 CHADMN CC(C)[C@H](NCc1cc2ccccc2o1)c1cnn(C)c1 ZINC000886510074 1125680942 /nfs/dbraw/zinc/68/09/42/1125680942.db2.gz SLIQSZJRSYFZMC-KRWDZBQOSA-N 0 1 283.375 3.653 20 0 CHADMN C[C@H]1CN(Cc2csc3ccccc23)[C@@H](C)CO1 ZINC000249983314 1125682452 /nfs/dbraw/zinc/68/24/52/1125682452.db2.gz BCKRJOSSEMKBQW-RYUDHWBXSA-N 0 1 261.390 3.511 20 0 CHADMN CCc1cccc2c1OCC[C@@H]2N[C@@H]1CCc2cccnc21 ZINC000886544936 1125688437 /nfs/dbraw/zinc/68/84/37/1125688437.db2.gz CYKWVTUGCOJNPA-DLBZAZTESA-N 0 1 294.398 3.745 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(CC(C)C)cc2)n(C)n1 ZINC000284501722 1125697709 /nfs/dbraw/zinc/69/77/09/1125697709.db2.gz VSMSPKCPOFXJCT-HNNXBMFYSA-N 0 1 285.435 3.778 20 0 CHADMN CC(C)N(Cc1nc(-c2ccsc2)no1)C1CCC1 ZINC000077358393 1125693312 /nfs/dbraw/zinc/69/33/12/1125693312.db2.gz MAIDZJNZXVKOPM-UHFFFAOYSA-N 0 1 277.393 3.561 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H]1CCc2cccnc21 ZINC000886592378 1125695030 /nfs/dbraw/zinc/69/50/30/1125695030.db2.gz RHZLYLMXUQKTTR-LRDDRELGSA-N 0 1 298.434 3.680 20 0 CHADMN CC(C)[C@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1cnn(C)c1 ZINC000886617576 1125697826 /nfs/dbraw/zinc/69/78/26/1125697826.db2.gz SUWJKZUEDSIBRY-QBIMZIAESA-N 0 1 299.418 3.619 20 0 CHADMN CSCc1ccc(CN[C@@H]2CCc3cccnc32)cc1 ZINC000886608897 1125696879 /nfs/dbraw/zinc/69/68/79/1125696879.db2.gz HVCHJNLUDBJOLX-MRXNPFEDSA-N 0 1 284.428 3.722 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@@H]1CCc3cccnc31)CCC2 ZINC000886605020 1125696912 /nfs/dbraw/zinc/69/69/12/1125696912.db2.gz ICIVVCJXWIQHPR-DLBZAZTESA-N 0 1 282.362 3.875 20 0 CHADMN Clc1ccc(CN2CCC[C@@H](c3ncccn3)C2)cc1 ZINC000886676192 1125705133 /nfs/dbraw/zinc/70/51/33/1125705133.db2.gz DDQGBBIPHMCECF-CQSZACIVSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1ccccc1[C@@H]1C[N@@H+](CC2CCSCC2)CCO1 ZINC000638092264 1129243719 /nfs/dbraw/zinc/24/37/19/1129243719.db2.gz VKCQKEYFEALPEB-KRWDZBQOSA-N 0 1 291.460 3.512 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CC2CCSCC2)CCO1 ZINC000638092264 1129243722 /nfs/dbraw/zinc/24/37/22/1129243722.db2.gz VKCQKEYFEALPEB-KRWDZBQOSA-N 0 1 291.460 3.512 20 0 CHADMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000886694598 1125710966 /nfs/dbraw/zinc/71/09/66/1125710966.db2.gz ZEIPIVZZEDHUCS-GBVHOQHVSA-N 0 1 299.393 3.520 20 0 CHADMN CC(C)OC(=O)C1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000886721496 1125712554 /nfs/dbraw/zinc/71/25/54/1125712554.db2.gz AAAVPYJQYDHKQJ-ZDUSSCGKSA-N 0 1 293.382 3.550 20 0 CHADMN CC[C@H](NCc1occc1C)c1ccc(OC)c(OC)c1 ZINC000285519076 1125713173 /nfs/dbraw/zinc/71/31/73/1125713173.db2.gz ODHJTTPUFMCRRZ-AWEZNQCLSA-N 0 1 289.375 3.846 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@@H](C)c1cccc2c1OCO2 ZINC000925295435 1125717575 /nfs/dbraw/zinc/71/75/75/1125717575.db2.gz XEMROECRJSAKCW-STQMWFEESA-N 0 1 284.359 3.531 20 0 CHADMN Clc1ccc(CN(Cc2ccncc2)C2CC2)cc1 ZINC000253494176 1125718241 /nfs/dbraw/zinc/71/82/41/1125718241.db2.gz WRJSPKDZJXIHDT-UHFFFAOYSA-N 0 1 272.779 3.900 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnccc1C)c1cccc(OC)n1 ZINC000925295492 1125720859 /nfs/dbraw/zinc/72/08/59/1125720859.db2.gz XLUIFSHYOXREQT-ZFWWWQNUSA-N 0 1 285.391 3.596 20 0 CHADMN C[C@H]1CC[C@H](CO)CN1Cc1cc(Cl)cc(Cl)c1 ZINC000093738170 1125725840 /nfs/dbraw/zinc/72/58/40/1125725840.db2.gz BUTFXMJSENVMRW-QWRGUYRKSA-N 0 1 288.218 3.586 20 0 CHADMN Cc1ccccc1[C@H]1CN(Cc2cccc(N)c2)[C@@H](C)CO1 ZINC000261674404 1125737811 /nfs/dbraw/zinc/73/78/11/1125737811.db2.gz KTHGBMKEBXLCLI-HNAYVOBHSA-N 0 1 296.414 3.539 20 0 CHADMN CSCCN[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000089920977 1125737896 /nfs/dbraw/zinc/73/78/96/1125737896.db2.gz OOOUJURCARFQGX-OAHLLOKOSA-N 0 1 292.835 3.777 20 0 CHADMN CSc1cc(C)cc(CN2CCc3cc(O)ccc3C2)c1 ZINC001238680580 1131231238 /nfs/dbraw/zinc/23/12/38/1131231238.db2.gz YBXPBVGGSNECDV-UHFFFAOYSA-N 0 1 299.439 3.981 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)[C@H]3CC3(C)C)c2C1 ZINC000162184739 1125743337 /nfs/dbraw/zinc/74/33/37/1125743337.db2.gz QFJJSXIJWVREFW-OAHLLOKOSA-N 0 1 286.419 3.643 20 0 CHADMN COc1ccccc1[C@@H](N[C@H](C)C1CC1)c1ccccn1 ZINC000090913235 1125746608 /nfs/dbraw/zinc/74/66/08/1125746608.db2.gz QKHAUZRVJLHGCN-FZKQIMNGSA-N 0 1 282.387 3.568 20 0 CHADMN COc1ccccc1[C@H](N[C@@H](C)C1CCC1)c1ccccn1 ZINC000090913522 1125747155 /nfs/dbraw/zinc/74/71/55/1125747155.db2.gz MHRRBAZEYLQPFY-LIRRHRJNSA-N 0 1 296.414 3.958 20 0 CHADMN Cc1cccc2c1[C@@H](C)C[C@@H]2NCc1cccc(N(C)C)n1 ZINC000090852260 1125747427 /nfs/dbraw/zinc/74/74/27/1125747427.db2.gz DKHVUNWTRIFRSB-YOEHRIQHSA-N 0 1 295.430 3.794 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1coc(-c2ccccc2)n1 ZINC000091098130 1125748973 /nfs/dbraw/zinc/74/89/73/1125748973.db2.gz AYSGAMCNKDMRKB-HNNXBMFYSA-N 0 1 290.432 3.915 20 0 CHADMN CC[C@@H](CN[C@H](C)c1nccs1)Oc1ccccc1F ZINC000091733269 1125752374 /nfs/dbraw/zinc/75/23/74/1125752374.db2.gz MHNGQBXXMPYBPZ-NEPJUHHUSA-N 0 1 294.395 3.790 20 0 CHADMN CCc1ccc(CN2CCC(OC(C)(C)C)CC2)o1 ZINC000092454197 1125757101 /nfs/dbraw/zinc/75/71/01/1125757101.db2.gz UVBVUWUVSPPZQN-UHFFFAOYSA-N 0 1 265.397 3.622 20 0 CHADMN CC[C@H](C)CN[C@@H](c1ccccn1)c1ccccc1OC ZINC000093111444 1125763657 /nfs/dbraw/zinc/76/36/57/1125763657.db2.gz TURUWXZVOZDRCK-KBXCAEBGSA-N 0 1 284.403 3.815 20 0 CHADMN Cc1cccnc1CN(C)Cc1cccc(OC(C)C)c1 ZINC000093210764 1125765667 /nfs/dbraw/zinc/76/56/67/1125765667.db2.gz SNLXNFHNUMFDRI-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN COc1ccccc1CN(C)[C@@H](C)c1cccc(O)c1 ZINC000093316040 1125767559 /nfs/dbraw/zinc/76/75/59/1125767559.db2.gz SMNCXRSZEFBPAE-ZDUSSCGKSA-N 0 1 271.360 3.594 20 0 CHADMN Cc1nc(C)c([C@H](C)N(C)Cc2cccc(O)c2)s1 ZINC000093275577 1125767632 /nfs/dbraw/zinc/76/76/32/1125767632.db2.gz YWNBBFLDUAEGMA-NSHDSACASA-N 0 1 276.405 3.659 20 0 CHADMN CCN(CCCN[C@H](C)c1nccs1)c1ccccc1 ZINC000093370518 1125769517 /nfs/dbraw/zinc/76/95/17/1125769517.db2.gz XVJWSRGYQNYDJO-CQSZACIVSA-N 0 1 289.448 3.710 20 0 CHADMN Cc1ccc(CCN(Cc2cnc[nH]2)Cc2ccco2)cc1 ZINC000093668481 1125772839 /nfs/dbraw/zinc/77/28/39/1125772839.db2.gz WKIIVFGKBWKXMG-UHFFFAOYSA-N 0 1 295.386 3.556 20 0 CHADMN c1cc2c(cccc2CN2CCO[C@@H](c3ccsc3)C2)[nH]1 ZINC000093768668 1125773369 /nfs/dbraw/zinc/77/33/69/1125773369.db2.gz CQGIAHWAFXGUFC-QGZVFWFLSA-N 0 1 298.411 3.803 20 0 CHADMN CCOc1cccc(CN2CCC[C@H]2C)c1Br ZINC001238686452 1131231967 /nfs/dbraw/zinc/23/19/67/1131231967.db2.gz DAGGDSAPARDJFM-LLVKDONJSA-N 0 1 298.224 3.832 20 0 CHADMN CC(C)[C@@H]1CN(Cc2ccc(C(F)F)nc2)CCS1 ZINC000638155639 1129245932 /nfs/dbraw/zinc/24/59/32/1129245932.db2.gz FFNYUBRKZGSBJJ-ZDUSSCGKSA-N 0 1 286.391 3.593 20 0 CHADMN C[C@H]([NH2+]Cc1ccco1)c1ccc(Br)cc1[O-] ZINC000184843557 1129256225 /nfs/dbraw/zinc/25/62/25/1129256225.db2.gz RXNHSZRKKGGPPS-VIFPVBQESA-N 0 1 296.164 3.599 20 0 CHADMN Cc1cc(CNCc2cccc(OCC(C)C)c2)sn1 ZINC000638423574 1129257542 /nfs/dbraw/zinc/25/75/42/1129257542.db2.gz ZIIVBTAYGMADBL-UHFFFAOYSA-N 0 1 290.432 3.776 20 0 CHADMN CC(C)Oc1cc(F)ccc1CN1CCC[C@H]2C[C@H]21 ZINC001238699367 1131234383 /nfs/dbraw/zinc/23/43/83/1131234383.db2.gz KKMDGUUDSQWSQR-SWLSCSKDSA-N 0 1 263.356 3.597 20 0 CHADMN CCOc1cncc(CN(C)[C@@H](C)c2ccc(F)cc2)c1 ZINC000621710569 1129182622 /nfs/dbraw/zinc/18/26/22/1129182622.db2.gz HLTKHATZZFIEOE-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN Cc1nccnc1CN([C@H](C)c1ccccc1)C1CC1 ZINC000621711446 1129182798 /nfs/dbraw/zinc/18/27/98/1129182798.db2.gz UKTNQZGPZCNJSK-CQSZACIVSA-N 0 1 267.376 3.511 20 0 CHADMN CN(CCC(C)(C)C)Cc1nc(-c2ccsc2)no1 ZINC000646027456 1129519459 /nfs/dbraw/zinc/51/94/59/1129519459.db2.gz IWZIAPNHYHUUMX-UHFFFAOYSA-N 0 1 279.409 3.666 20 0 CHADMN CC(C)c1cnc(NC(=O)c2c(O)cccc2Cl)s1 ZINC000743712644 1129534395 /nfs/dbraw/zinc/53/43/95/1129534395.db2.gz PKCCSMDIPJANMB-UHFFFAOYSA-N 0 1 296.779 3.878 20 0 CHADMN C[C@@H](COCC(F)(F)F)NCc1ccc(F)cc1Cl ZINC001649138525 1129596374 /nfs/dbraw/zinc/59/63/74/1129596374.db2.gz HMHMBUAEDRNVQR-QMMMGPOBSA-N 0 1 299.695 3.536 20 0 CHADMN CCOc1ccc(C)c(CN2CCC[C@@H]2c2cnccn2)c1 ZINC001238709299 1131235860 /nfs/dbraw/zinc/23/58/60/1131235860.db2.gz UVDKJVKLENUBOZ-GOSISDBHSA-N 0 1 297.402 3.521 20 0 CHADMN CCC(C)(C)N(C)Cc1occc1Br ZINC000769382835 1129905523 /nfs/dbraw/zinc/90/55/23/1129905523.db2.gz XIBKWDXVMIGNMC-UHFFFAOYSA-N 0 1 260.175 3.663 20 0 CHADMN CCCC1CCC(C[N@H+]2C[C@@H](C)[C@](C)(C(=O)[O-])C2)CC1 ZINC000901543414 1129934996 /nfs/dbraw/zinc/93/49/96/1129934996.db2.gz YLNYEGYZLKFPMA-ARAOSMHQSA-N 0 1 281.440 3.636 20 0 CHADMN C[C@H](C1CCCCC1)N(C)Cc1nnc(C(C)(C)C)o1 ZINC000801600107 1129931669 /nfs/dbraw/zinc/93/16/69/1129931669.db2.gz BUVLHIAWACRAMN-GFCCVEGCSA-N 0 1 279.428 3.768 20 0 CHADMN CC[C@H]1CCC[C@H](C[N@@H+](CCC(=O)[O-])CC(C)C)C1 ZINC000901596766 1129938926 /nfs/dbraw/zinc/93/89/26/1129938926.db2.gz YRCLZVIPRDASNX-GJZGRUSLSA-N 0 1 269.429 3.636 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000902562068 1130024573 /nfs/dbraw/zinc/02/45/73/1130024573.db2.gz LFUZGIRCRBUPRN-IIAWOOMASA-N 0 1 281.440 3.636 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccc1N(C)C)c1cncs1 ZINC000903311515 1130151657 /nfs/dbraw/zinc/15/16/57/1130151657.db2.gz PHZBAQUWASGBHJ-RYUDHWBXSA-N 0 1 275.421 3.621 20 0 CHADMN FC(F)(F)c1cnc2c(c1)[C@H](NC/C=C\Cl)CCC2 ZINC000903445108 1130177847 /nfs/dbraw/zinc/17/78/47/1130177847.db2.gz RRJKSDUASQJQED-SRMRHOMVSA-N 0 1 290.716 3.820 20 0 CHADMN Fc1ccccc1[C@H](NCc1c[nH]cn1)C1CCCC1 ZINC000088765540 1129209517 /nfs/dbraw/zinc/20/95/17/1129209517.db2.gz UMIZCAKGSKOIPN-MRXNPFEDSA-N 0 1 273.355 3.570 20 0 CHADMN c1coc([C@@H](N[C@H]2CO[C@@H](C3CC3)C2)c2ccccc2)c1 ZINC000667928021 1126706950 /nfs/dbraw/zinc/70/69/50/1126706950.db2.gz NCHNDLOEXMLALJ-NXHRZFHOSA-N 0 1 283.371 3.526 20 0 CHADMN CCNc1ccnc2cc(OC(F)(F)F)ccc21 ZINC000899878171 1126707379 /nfs/dbraw/zinc/70/73/79/1126707379.db2.gz YZJUNADPXZRQMZ-UHFFFAOYSA-N 0 1 256.227 3.565 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@@H](C)c1ccncc1F ZINC000338015417 1126710343 /nfs/dbraw/zinc/71/03/43/1126710343.db2.gz SLKVMXRZDPDFKK-OLZOCXBDSA-N 0 1 258.340 3.941 20 0 CHADMN CC(C)c1cnc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)o1 ZINC000789452079 1130253375 /nfs/dbraw/zinc/25/33/75/1130253375.db2.gz PRBUHHSODYGQHR-UPJWGTAASA-N 0 1 250.386 3.664 20 0 CHADMN CC(C)(C)OCc1cc(CN[C@@H]2CC[C@@H]2C2CCC2)no1 ZINC000338030120 1126713352 /nfs/dbraw/zinc/71/33/52/1126713352.db2.gz RAQRDIMCSZUQAW-HZPDHXFCSA-N 0 1 292.423 3.658 20 0 CHADMN Cc1ccc(Cl)cc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000338048171 1126713823 /nfs/dbraw/zinc/71/38/23/1126713823.db2.gz VPQCGVWTCYUTIL-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN Cc1cccc2[nH]c(CN3CCC[C@@H](OC(F)F)C3)cc21 ZINC000667962443 1126719938 /nfs/dbraw/zinc/71/99/38/1126719938.db2.gz PFTDKYKQEXPMSA-CYBMUJFWSA-N 0 1 294.345 3.680 20 0 CHADMN c1csc(-c2noc([C@@H]3NCC[C@H]4CCCC[C@H]43)n2)c1 ZINC000899994349 1126720673 /nfs/dbraw/zinc/72/06/73/1126720673.db2.gz ZSAYIHUVHMZICT-NQBHXWOUSA-N 0 1 289.404 3.639 20 0 CHADMN c1csc(-c2noc([C@@H]3NCC[C@H]4CCCC[C@@H]43)n2)c1 ZINC000899994350 1126721085 /nfs/dbraw/zinc/72/10/85/1126721085.db2.gz ZSAYIHUVHMZICT-NTZNESFSSA-N 0 1 289.404 3.639 20 0 CHADMN c1ccc(Cc2noc([C@@H]3NCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000899995254 1126721655 /nfs/dbraw/zinc/72/16/55/1126721655.db2.gz XNZCWEMHYWLCBE-HLLBOEOZSA-N 0 1 297.402 3.501 20 0 CHADMN Cc1cc(CN(C)CCC(F)(F)F)c(C)s1 ZINC000338261635 1126728815 /nfs/dbraw/zinc/72/88/15/1126728815.db2.gz PPYZIPISXRMGCT-UHFFFAOYSA-N 0 1 251.317 3.749 20 0 CHADMN FCCCN1CCC[C@H]1c1nc2ccccc2s1 ZINC000136213260 1126724424 /nfs/dbraw/zinc/72/44/24/1126724424.db2.gz ISVMAEFDEJXLKK-LBPRGKRZSA-N 0 1 264.369 3.793 20 0 CHADMN CSc1ncc(C)cc1CN1CCC[C@@H](C(F)F)C1 ZINC001238716651 1131237625 /nfs/dbraw/zinc/23/76/25/1131237625.db2.gz MPJZOTBWZCFXLM-LLVKDONJSA-N 0 1 286.391 3.589 20 0 CHADMN Cc1cc(Nc2cc(F)ncc2C)c2ccccc2n1 ZINC001212845692 1126726008 /nfs/dbraw/zinc/72/60/08/1126726008.db2.gz GLOPEODOCWBAJB-UHFFFAOYSA-N 0 1 267.307 3.551 20 0 CHADMN Cc1ccc(-c2nc(CN3CC[C@H](C)C3)cs2)o1 ZINC000338257219 1126728559 /nfs/dbraw/zinc/72/85/59/1126728559.db2.gz KLLSJNVTXPSNOW-JTQLQIEISA-N 0 1 262.378 3.553 20 0 CHADMN CC(C)CCc1nc(CN2CC[C@H](C)C2)cs1 ZINC000338260527 1126728685 /nfs/dbraw/zinc/72/86/85/1126728685.db2.gz ICQNCXUXEKFIGI-LBPRGKRZSA-N 0 1 252.427 3.574 20 0 CHADMN CC(C)SCCN1[C@H](C)COC[C@H]1c1ccccc1 ZINC000338286452 1126731413 /nfs/dbraw/zinc/73/14/13/1126731413.db2.gz SOEXPCIMYGPSPZ-ZBFHGGJFSA-N 0 1 279.449 3.590 20 0 CHADMN Cc1nnc([C@H]2CCCCN2CCCc2ccccc2C)[nH]1 ZINC000338332455 1126734552 /nfs/dbraw/zinc/73/45/52/1126734552.db2.gz ITORKYONMXREAE-QGZVFWFLSA-N 0 1 298.434 3.581 20 0 CHADMN Cc1nnc([C@H]2CCCCN2CCCc2ccc(C)cc2)[nH]1 ZINC000338326781 1126735136 /nfs/dbraw/zinc/73/51/36/1126735136.db2.gz AMEOVWJIDUWWCN-QGZVFWFLSA-N 0 1 298.434 3.581 20 0 CHADMN C[C@@H](C1CCCCC1)N(C)Cc1nncn1-c1ccccc1 ZINC000338360499 1126738243 /nfs/dbraw/zinc/73/82/43/1126738243.db2.gz XZNUALKFRLJCLU-HNNXBMFYSA-N 0 1 298.434 3.668 20 0 CHADMN CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000348483897 1126740279 /nfs/dbraw/zinc/74/02/79/1126740279.db2.gz PSTXEHKXJQAJHL-BBRMVZONSA-N 0 1 299.418 3.912 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccc(-n3cccn3)cc2)o1 ZINC000150885787 1126746794 /nfs/dbraw/zinc/74/67/94/1126746794.db2.gz VHACCDZMZWEPGO-CQSZACIVSA-N 0 1 295.386 3.879 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H]2CSc3ccccc32)s1 ZINC000677756387 1130329333 /nfs/dbraw/zinc/32/93/33/1130329333.db2.gz WRFASDBSOYWWNC-SKDRFNHKSA-N 0 1 276.430 3.949 20 0 CHADMN Cc1cscc1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000151203575 1126751646 /nfs/dbraw/zinc/75/16/46/1126751646.db2.gz AAZRAEUKMHPCKG-CQSZACIVSA-N 0 1 280.437 3.506 20 0 CHADMN Cc1ccc2cc(C[N@H+]3CCC[C@H](OCC4CC4)C3)[nH]c2c1 ZINC000668010605 1126752224 /nfs/dbraw/zinc/75/22/24/1126752224.db2.gz AXHRTYPPDWLJAG-SFHVURJKSA-N 0 1 298.430 3.867 20 0 CHADMN CCC[C@@H](C)[C@@H](CC)Nc1cnn(-c2ccncc2)c1 ZINC000679128575 1126753140 /nfs/dbraw/zinc/75/31/40/1126753140.db2.gz WMAOCORQXWQGHN-CZUORRHYSA-N 0 1 272.396 3.894 20 0 CHADMN CCCc1cc(C(=O)N(C)[C@@H]2CCC[C@H]2C(C)(C)C)n[nH]1 ZINC000668039377 1126755294 /nfs/dbraw/zinc/75/52/94/1126755294.db2.gz KEWZSHQTKBFXCW-UKRRQHHQSA-N 0 1 291.439 3.649 20 0 CHADMN C[C@H](CF)NCc1cc(Br)c(Cl)s1 ZINC000288326776 1126757677 /nfs/dbraw/zinc/75/76/77/1126757677.db2.gz AFNDUPVNMKIPBZ-RXMQYKEDSA-N 0 1 286.597 3.612 20 0 CHADMN CC1=C(C)CN(Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000482461789 1126758753 /nfs/dbraw/zinc/75/87/53/1126758753.db2.gz UGUPHWYMBSUHSZ-UHFFFAOYSA-N 0 1 285.309 3.969 20 0 CHADMN C[C@H](NC[C@H]1CCCCO1)c1ncc(-c2ccccc2)o1 ZINC000174003030 1126765187 /nfs/dbraw/zinc/76/51/87/1126765187.db2.gz FGFKEGAOFFKSGG-DZGCQCFKSA-N 0 1 286.375 3.561 20 0 CHADMN COc1ccsc1CN1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000482505860 1126761700 /nfs/dbraw/zinc/76/17/00/1126761700.db2.gz ILHLKQWQNPNEDT-UWVGGRQHSA-N 0 1 293.354 3.920 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2c(C3CC3)cnn2C)c1 ZINC000668062448 1126763717 /nfs/dbraw/zinc/76/37/17/1126763717.db2.gz JYDMBSAQRMQXEO-UHFFFAOYSA-N 0 1 283.419 3.546 20 0 CHADMN COc1cc(Cl)ccc1CN[C@@H](C)c1ccncc1 ZINC000174069226 1126765737 /nfs/dbraw/zinc/76/57/37/1126765737.db2.gz XWOCWOYJQMZQQV-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN CCCC1CCC(N(C)C(=O)c2[nH]nc3ccccc32)CC1 ZINC000483079961 1126766904 /nfs/dbraw/zinc/76/69/04/1126766904.db2.gz WJHMMOKBEQLWDT-UHFFFAOYSA-N 0 1 299.418 3.994 20 0 CHADMN CC(C)CC[C@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)C(C)(C)C ZINC000568199031 1126772186 /nfs/dbraw/zinc/77/21/86/1126772186.db2.gz OFFIWULMXUSXGZ-ZFWWWQNUSA-N 0 1 293.455 3.555 20 0 CHADMN Cc1ccc(C)c(NC(=O)Nc2c(O)cc(F)cc2F)c1 ZINC001202768142 1126773919 /nfs/dbraw/zinc/77/39/19/1126773919.db2.gz WGBPPRIZYRDPRX-UHFFFAOYSA-N 0 1 292.285 3.931 20 0 CHADMN CC[C@H]1CN([C@@H](C)c2nnc(C)o2)CC[C@@H]1c1ccccc1 ZINC000174889735 1126774597 /nfs/dbraw/zinc/77/45/97/1126774597.db2.gz BVLYNHCRDRZXKB-QRTARXTBSA-N 0 1 299.418 3.955 20 0 CHADMN CC(C)(C)c1noc(CN2CCC[C@@H](C(C)(C)C)C2)n1 ZINC000483242835 1126774970 /nfs/dbraw/zinc/77/49/70/1126774970.db2.gz XSKKCFKZBJAYDL-GFCCVEGCSA-N 0 1 279.428 3.625 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cc2cn3ccsc3n2)C1 ZINC000483252189 1126775328 /nfs/dbraw/zinc/77/53/28/1126775328.db2.gz VVWFGIUXMQBGEJ-GFCCVEGCSA-N 0 1 277.437 3.654 20 0 CHADMN CCOCCN(C)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000483317393 1126778556 /nfs/dbraw/zinc/77/85/56/1126778556.db2.gz ADALOUQJWRBMCG-UHFFFAOYSA-N 0 1 295.329 3.693 20 0 CHADMN Cc1ccc2c(c1)CN(CCOc1ccc(F)cc1)C2 ZINC000483339554 1126780412 /nfs/dbraw/zinc/78/04/12/1126780412.db2.gz RTCJZVIMLBAOLJ-UHFFFAOYSA-N 0 1 271.335 3.529 20 0 CHADMN CN(Cc1cc(C2CC2)no1)[C@@H]1CCc2ccccc21 ZINC000659836356 1126777581 /nfs/dbraw/zinc/77/75/81/1126777581.db2.gz ZTMPHNSOTSTVED-QGZVFWFLSA-N 0 1 268.360 3.671 20 0 CHADMN CC[C@@H]1CN(Cc2cc3ccncc3s2)C[C@@H](CC)O1 ZINC000668243659 1126785580 /nfs/dbraw/zinc/78/55/80/1126785580.db2.gz GJFXKGOBIVTNRM-ZIAGYGMSSA-N 0 1 290.432 3.686 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CCOC2(CCCC2)C1 ZINC000483483338 1126788609 /nfs/dbraw/zinc/78/86/09/1126788609.db2.gz UXFZAVOATOWORI-CYBMUJFWSA-N 0 1 263.356 3.532 20 0 CHADMN CC[C@H](C)CO[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001224668825 1126790719 /nfs/dbraw/zinc/79/07/19/1126790719.db2.gz XOUZGALCQIXJPG-ZFWWWQNUSA-N 0 1 281.827 3.977 20 0 CHADMN CCC(C)(C)CCN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000483641721 1126795770 /nfs/dbraw/zinc/79/57/70/1126795770.db2.gz UTCYGAPPNWXLQY-MRXNPFEDSA-N 0 1 277.408 3.592 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1ccc(Br)cn1 ZINC000163219456 1126801081 /nfs/dbraw/zinc/80/10/81/1126801081.db2.gz JDEQPYCWRQZJLH-GXFFZTMASA-N 0 1 283.213 3.607 20 0 CHADMN CO[C@@H]1CCCC[C@H]1NCc1c(F)cccc1Cl ZINC000483704010 1126797475 /nfs/dbraw/zinc/79/74/75/1126797475.db2.gz YWGZOVWPRKQBRM-ZIAGYGMSSA-N 0 1 271.763 3.526 20 0 CHADMN CC(=O)c1c(C)cc(C)c(CN2CC=CCC2)c1C ZINC000679321685 1130514001 /nfs/dbraw/zinc/51/40/01/1130514001.db2.gz JXBOSRGEDDTQGW-UHFFFAOYSA-N 0 1 257.377 3.576 20 0 CHADMN C[C@H](Sc1nc(C2CC2)n[nH]1)c1ncc(C(C)(C)C)o1 ZINC000177230523 1126798784 /nfs/dbraw/zinc/79/87/84/1126798784.db2.gz PJRLEAZCVSKQNI-QMMMGPOBSA-N 0 1 292.408 3.821 20 0 CHADMN C[C@H](Sc1n[nH]c(C2CC2)n1)c1ncc(C(C)(C)C)o1 ZINC000177230523 1126798785 /nfs/dbraw/zinc/79/87/85/1126798785.db2.gz PJRLEAZCVSKQNI-QMMMGPOBSA-N 0 1 292.408 3.821 20 0 CHADMN C[C@@H](Cc1ccccn1)NCc1coc(-c2cccs2)n1 ZINC000924788652 1126799303 /nfs/dbraw/zinc/79/93/03/1126799303.db2.gz OSVWBHFQBYGSKE-LBPRGKRZSA-N 0 1 299.399 3.519 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000177560256 1126802171 /nfs/dbraw/zinc/80/21/71/1126802171.db2.gz SINPKHQUOVSFFG-XEZPLFJOSA-N 0 1 297.402 3.886 20 0 CHADMN CCCN1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000483818244 1126802733 /nfs/dbraw/zinc/80/27/33/1126802733.db2.gz HVCJWRIMMOYTRB-CYBMUJFWSA-N 0 1 291.782 3.937 20 0 CHADMN Cc1ncc(CN2CC3(CC=CC3)[C@@H]2c2ccccc2)n1C ZINC000668277363 1126803980 /nfs/dbraw/zinc/80/39/80/1126803980.db2.gz FQMABQDYRFHOFZ-SFHVURJKSA-N 0 1 293.414 3.622 20 0 CHADMN CC[C@@H](NCc1ccnc(OC)c1)c1ccc(F)cc1F ZINC000177842001 1126805591 /nfs/dbraw/zinc/80/55/91/1126805591.db2.gz SWHSHDAULKHAAR-OAHLLOKOSA-N 0 1 292.329 3.609 20 0 CHADMN Clc1ccc([C@H](N[C@H]2CCOC2)c2ccsc2)cc1 ZINC000177917515 1126807566 /nfs/dbraw/zinc/80/75/66/1126807566.db2.gz KWJCYWSCMGDSPF-GJZGRUSLSA-N 0 1 293.819 3.869 20 0 CHADMN CCOc1cc(CN2C[C@@H]3CCCC[C@@H]32)cc(Cl)c1O ZINC000668299133 1126807728 /nfs/dbraw/zinc/80/77/28/1126807728.db2.gz VMKZBJWSHNJDIM-JSGCOSHPSA-N 0 1 295.810 3.819 20 0 CHADMN Cc1cccc2nc(CN[C@H]3CCCc4ccccc43)cn21 ZINC000178061192 1126808922 /nfs/dbraw/zinc/80/89/22/1126808922.db2.gz FJPLRASWPSDUDI-SFHVURJKSA-N 0 1 291.398 3.810 20 0 CHADMN Cc1cccc2nc(CN[C@@H]3c4ccccc4C[C@@H]3C)cn21 ZINC000178058248 1126808929 /nfs/dbraw/zinc/80/89/29/1126808929.db2.gz GAHVLFOIULDTSG-DJJJIMSYSA-N 0 1 291.398 3.666 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccccc2-n2cccn2)o1 ZINC000178146021 1126809267 /nfs/dbraw/zinc/80/92/67/1126809267.db2.gz WBQVVKYCCHPDDP-AWEZNQCLSA-N 0 1 295.386 3.879 20 0 CHADMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H](C)c1ccncc1 ZINC000178128859 1126809328 /nfs/dbraw/zinc/80/93/28/1126809328.db2.gz CZBLUPNKHNMOLP-STQMWFEESA-N 0 1 286.423 3.753 20 0 CHADMN Cc1cc(NCC2CCOCC2)c2cc(F)ccc2n1 ZINC000178202665 1126810140 /nfs/dbraw/zinc/81/01/40/1126810140.db2.gz JYCRRWDPMDZITI-UHFFFAOYSA-N 0 1 274.339 3.521 20 0 CHADMN Cc1ccc(Br)c(CN(C)C(C)C)c1 ZINC001137380163 1130544776 /nfs/dbraw/zinc/54/47/76/1130544776.db2.gz BDLFBBPESRYVRE-UHFFFAOYSA-N 0 1 256.187 3.598 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccco1)c1ccc2c(c1)OCCO2 ZINC000178368427 1126812014 /nfs/dbraw/zinc/81/20/14/1126812014.db2.gz PSZAWQPSCYXNEY-JSGCOSHPSA-N 0 1 287.359 3.853 20 0 CHADMN C[C@H]1CCN(Cc2cc(F)ccc2C(F)(F)F)C1 ZINC001138087439 1130545092 /nfs/dbraw/zinc/54/50/92/1130545092.db2.gz CWVPPDIULFWSIB-VIFPVBQESA-N 0 1 261.262 3.686 20 0 CHADMN COc1ccc(CN[C@H](C)c2cc(F)cc(F)c2)cc1O ZINC000178410113 1126812752 /nfs/dbraw/zinc/81/27/52/1126812752.db2.gz PLMHPLCKRUXEEA-SNVBAGLBSA-N 0 1 293.313 3.530 20 0 CHADMN C[C@H](c1noc(-c2cccc(F)c2O)n1)C(C)(C)C ZINC000904009073 1126820580 /nfs/dbraw/zinc/82/05/80/1126820580.db2.gz RSPBBBZOVQANQH-MRVPVSSYSA-N 0 1 264.300 3.731 20 0 CHADMN CC(C)CCC[C@H]([NH2+]Cc1ncc(C(C)C)s1)C(=O)[O-] ZINC000904036674 1126822734 /nfs/dbraw/zinc/82/27/34/1126822734.db2.gz PRZGHTNAKKMOLV-LBPRGKRZSA-N 0 1 298.452 3.636 20 0 CHADMN CC(C)C[C@@H](C)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000179247810 1126825264 /nfs/dbraw/zinc/82/52/64/1126825264.db2.gz TYFDUSKHNMGSRV-ZIAGYGMSSA-N 0 1 287.407 3.746 20 0 CHADMN Cc1ccsc1-c1noc(CN(C)CC(C)(C)C)n1 ZINC000904078811 1126826507 /nfs/dbraw/zinc/82/65/07/1126826507.db2.gz RDFOIXMDPNFXAT-UHFFFAOYSA-N 0 1 279.409 3.584 20 0 CHADMN C/C=C(\C)C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000179452397 1126828518 /nfs/dbraw/zinc/82/85/18/1126828518.db2.gz QZCIPYQKPYMJIL-QJIMOZNHSA-N 0 1 297.402 3.544 20 0 CHADMN CC(C)C(=O)Nc1ccc(CN[C@@H](C)c2ccccn2)cc1 ZINC000179460924 1126828750 /nfs/dbraw/zinc/82/87/50/1126828750.db2.gz KQMYKUUODHMLKC-AWEZNQCLSA-N 0 1 297.402 3.527 20 0 CHADMN CC(=O)Nc1cccc(CNC2(c3cccc(F)c3)CC2)c1 ZINC000179700216 1126832554 /nfs/dbraw/zinc/83/25/54/1126832554.db2.gz GILZDZQNXNEBPJ-UHFFFAOYSA-N 0 1 298.361 3.563 20 0 CHADMN Cc1ncsc1CN(C)Cc1ccc(C)cc1C ZINC000179727531 1126832989 /nfs/dbraw/zinc/83/29/89/1126832989.db2.gz WGWVGGSNKFLDJD-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN CC(C)n1ccc(CN[C@H](c2ccccc2)C2CC2)n1 ZINC000180125586 1126839232 /nfs/dbraw/zinc/83/92/32/1126839232.db2.gz WLSNJOXTBMAWRH-QGZVFWFLSA-N 0 1 269.392 3.705 20 0 CHADMN COc1cc(CN(Cc2cccs2)C2CC2)ccc1O ZINC000180062321 1126839558 /nfs/dbraw/zinc/83/95/58/1126839558.db2.gz ZMHLEYIBVDQEBE-UHFFFAOYSA-N 0 1 289.400 3.627 20 0 CHADMN Cc1cnc(CN2CCC[C@H]2c2ccccc2)s1 ZINC000180408211 1126843762 /nfs/dbraw/zinc/84/37/62/1126843762.db2.gz YJZZOTZKSXWNKI-AWEZNQCLSA-N 0 1 258.390 3.789 20 0 CHADMN Cc1cccnc1CNC(C)(C)c1ccc(F)c(F)c1 ZINC000180875101 1126849257 /nfs/dbraw/zinc/84/92/57/1126849257.db2.gz JXMQZAOUKJDEQN-UHFFFAOYSA-N 0 1 276.330 3.693 20 0 CHADMN CC[C@H](C[N@H+]1CCC[C@](CC)(C(=O)[O-])C1)c1ccccc1 ZINC000904401128 1126851705 /nfs/dbraw/zinc/85/17/05/1126851705.db2.gz NDEHKORAPJNCDJ-QAPCUYQASA-N 0 1 289.419 3.757 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000904399802 1126851954 /nfs/dbraw/zinc/85/19/54/1126851954.db2.gz BUODLDQDSUNFMZ-YOEHRIQHSA-N 0 1 281.440 3.780 20 0 CHADMN CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000181550929 1126857944 /nfs/dbraw/zinc/85/79/44/1126857944.db2.gz DILSPRBDYIQMQO-IAGOWNOFSA-N 0 1 289.419 3.900 20 0 CHADMN CCS[C@H](C)c1noc([C@@H]2NCC[C@@H]3CCCC[C@H]23)n1 ZINC000904628881 1126863955 /nfs/dbraw/zinc/86/39/55/1126863955.db2.gz XBZNEZXTAMFHNP-MROQNXINSA-N 0 1 295.452 3.725 20 0 CHADMN C[C@H](c1ccco1)N(C)CCC(=O)c1ccccc1 ZINC000182105092 1126865238 /nfs/dbraw/zinc/86/52/38/1126865238.db2.gz BAWVKBIRAKOTOS-CYBMUJFWSA-N 0 1 257.333 3.545 20 0 CHADMN C[C@H](c1ccccn1)N(C)CC1=Cc2ccccc2OC1 ZINC000182064595 1126865741 /nfs/dbraw/zinc/86/57/41/1126865741.db2.gz AHANAWKQCAIZRP-CQSZACIVSA-N 0 1 280.371 3.550 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2ccc(Cl)cn2)cc1 ZINC000182113823 1126866094 /nfs/dbraw/zinc/86/60/94/1126866094.db2.gz QTCOZIMPIIARJV-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc(Cl)cn2)cc1 ZINC000182121677 1126866599 /nfs/dbraw/zinc/86/65/99/1126866599.db2.gz SKYDNZFLEMCZBD-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN Clc1cscc1-c1cccc([C@@H]2COCCN2)c1 ZINC000904894491 1126883506 /nfs/dbraw/zinc/88/35/06/1126883506.db2.gz ITIRHQKRRZUIIZ-AWEZNQCLSA-N 0 1 279.792 3.729 20 0 CHADMN CC[N@H+]1CC[C@@H](Oc2cc(Cl)cc(Cl)c2F)C1 ZINC001234931855 1130693335 /nfs/dbraw/zinc/69/33/35/1130693335.db2.gz YGZAEZSNKFKDDQ-SECBINFHSA-N 0 1 278.154 3.606 20 0 CHADMN CCN1CC[C@@H](Oc2cc(Cl)cc(Cl)c2F)C1 ZINC001234931855 1130693338 /nfs/dbraw/zinc/69/33/38/1130693338.db2.gz YGZAEZSNKFKDDQ-SECBINFHSA-N 0 1 278.154 3.606 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2ccc(C)cc21)c1nccn1C ZINC000183413112 1126886897 /nfs/dbraw/zinc/88/68/97/1126886897.db2.gz LJQZGJJSKZJUBD-DLBZAZTESA-N 0 1 283.419 3.847 20 0 CHADMN COc1ccccc1[C@@H](NCC1CCC1)c1ccccn1 ZINC000924802343 1126887255 /nfs/dbraw/zinc/88/72/55/1126887255.db2.gz LKWQOYGAJGLSHR-GOSISDBHSA-N 0 1 282.387 3.569 20 0 CHADMN CC[C@@H]1CCN(Cc2sc(C)nc2C(F)(F)F)C1 ZINC000183604812 1126890042 /nfs/dbraw/zinc/89/00/42/1126890042.db2.gz VJGZEVSMBDJBMI-SECBINFHSA-N 0 1 278.343 3.702 20 0 CHADMN Cc1cc(F)c(CN2CC[C@H](C)C[C@H]2C)c(F)c1 ZINC001235196362 1130722355 /nfs/dbraw/zinc/72/23/55/1130722355.db2.gz BUIDENKKFBESEJ-CMPLNLGQSA-N 0 1 253.336 3.894 20 0 CHADMN CC(C)CN(C)Cc1ccc(C(C)C)nc1Cl ZINC001238725482 1131238422 /nfs/dbraw/zinc/23/84/22/1131238422.db2.gz NNPKFXZUZYTEBL-UHFFFAOYSA-N 0 1 254.805 3.946 20 0 CHADMN Cc1ccc2cc(CN3CCO[C@](C)(C4CC4)C3)ccc2n1 ZINC000668462663 1126905437 /nfs/dbraw/zinc/90/54/37/1126905437.db2.gz GLBZRSAKWIHLOE-IBGZPJMESA-N 0 1 296.414 3.544 20 0 CHADMN CCc1ccc(C)nc1N[C@@H]1CCCSCC1 ZINC000668479098 1126911205 /nfs/dbraw/zinc/91/12/05/1126911205.db2.gz SSXSIGYQYGQYQM-CYBMUJFWSA-N 0 1 250.411 3.650 20 0 CHADMN CCOc1cc(CNc2nc(C)ccc2CC)ccc1O ZINC000668478173 1126911506 /nfs/dbraw/zinc/91/15/06/1126911506.db2.gz KYTGUYWXOPGOQR-UHFFFAOYSA-N 0 1 286.375 3.669 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1scnc1C1CC1)CC2 ZINC000668478838 1126911616 /nfs/dbraw/zinc/91/16/16/1126911616.db2.gz JNKRZKCOKZARKG-UHFFFAOYSA-N 0 1 284.428 3.887 20 0 CHADMN CC(C)c1ccc2c(c1)C[N@H+](Cc1cnn3c1CCC3)CC2 ZINC000668480626 1126912157 /nfs/dbraw/zinc/91/21/57/1126912157.db2.gz PMLKMMXUNVIXJZ-UHFFFAOYSA-N 0 1 295.430 3.511 20 0 CHADMN CC(C)c1ccc2c(c1)CN(Cc1cnn3c1CCC3)CC2 ZINC000668480626 1126912160 /nfs/dbraw/zinc/91/21/60/1126912160.db2.gz PMLKMMXUNVIXJZ-UHFFFAOYSA-N 0 1 295.430 3.511 20 0 CHADMN Cc1ccc(CN2CCC(C(=O)C(F)(F)F)CC2)c(C)c1 ZINC000187658406 1126912653 /nfs/dbraw/zinc/91/26/53/1126912653.db2.gz YIQIZXVPBQHOKA-UHFFFAOYSA-N 0 1 299.336 3.647 20 0 CHADMN Fc1ccc([C@H](NC2CCCCC2)c2ncc[nH]2)cc1 ZINC000187684590 1126913133 /nfs/dbraw/zinc/91/31/33/1126913133.db2.gz SRFHDYHFKSDNTM-HNNXBMFYSA-N 0 1 273.355 3.561 20 0 CHADMN c1cc2cc(CNCc3ccc4c(n3)CCC4)ccc2o1 ZINC000668483998 1126914413 /nfs/dbraw/zinc/91/44/13/1126914413.db2.gz ZXVYMUIFPZFRTL-UHFFFAOYSA-N 0 1 278.355 3.606 20 0 CHADMN CC(C)c1ccc(CN2CCC[C@](C)(O)CC2)c(Cl)n1 ZINC001238723888 1131238658 /nfs/dbraw/zinc/23/86/58/1131238658.db2.gz HORGACSFIIMOEH-INIZCTEOSA-N 0 1 296.842 3.595 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1ccc(OCC(C)C)cc1 ZINC000187803454 1126914915 /nfs/dbraw/zinc/91/49/15/1126914915.db2.gz UWJFPDGVBDVQRQ-HNNXBMFYSA-N 0 1 299.418 3.671 20 0 CHADMN C[C@H]1CN(Cc2cncc(F)c2Cl)CCC[C@@H]1C ZINC001235488697 1130749489 /nfs/dbraw/zinc/74/94/89/1130749489.db2.gz OFEJBXBSCHEQTE-QWRGUYRKSA-N 0 1 270.779 3.742 20 0 CHADMN Cc1nccnc1[C@@H](C)NCCOc1ccccc1C(C)C ZINC000188191084 1126921391 /nfs/dbraw/zinc/92/13/91/1126921391.db2.gz REVRBMUOFPHJOR-OAHLLOKOSA-N 0 1 299.418 3.638 20 0 CHADMN CC(C)c1ccc(CN2CCC[C@H]2C)c(Cl)n1 ZINC001238725115 1131238789 /nfs/dbraw/zinc/23/87/89/1131238789.db2.gz MTMAKTXFSDHOLV-LLVKDONJSA-N 0 1 252.789 3.843 20 0 CHADMN Fc1ccc([C@@H](NCC2(C3CC3)CCC2)c2ncc[nH]2)cc1 ZINC000188262756 1126921846 /nfs/dbraw/zinc/92/18/46/1126921846.db2.gz ISMGVNYPASVBKC-MRXNPFEDSA-N 0 1 299.393 3.808 20 0 CHADMN CC[C@H]1C[C@H](Nc2nccc(C)c2C2CC2)CCO1 ZINC000668512355 1126925153 /nfs/dbraw/zinc/92/51/53/1126925153.db2.gz QOYPUKBBMHBXIT-KGLIPLIRSA-N 0 1 260.381 3.637 20 0 CHADMN Cc1ccnc(NC2CC(OC(C)C)C2)c1C1CC1 ZINC000668513452 1126924030 /nfs/dbraw/zinc/92/40/30/1126924030.db2.gz ZVTRUJOOOAGETA-UHFFFAOYSA-N 0 1 260.381 3.635 20 0 CHADMN CNCc1ncc(-c2ccccc2OC2CCCCC2)cn1 ZINC000906157649 1126930633 /nfs/dbraw/zinc/93/06/33/1126930633.db2.gz GBOZYZMBCFWCLC-UHFFFAOYSA-N 0 1 297.402 3.575 20 0 CHADMN Cc1cc(C[N@H+](C)C[C@H](C)c2cccc(Cl)c2)no1 ZINC000189702542 1126934266 /nfs/dbraw/zinc/93/42/66/1126934266.db2.gz SWIAAIZBOJZYAM-NSHDSACASA-N 0 1 278.783 3.872 20 0 CHADMN Cc1cc(CN(C)C[C@H](C)c2cccc(Cl)c2)no1 ZINC000189702542 1126934270 /nfs/dbraw/zinc/93/42/70/1126934270.db2.gz SWIAAIZBOJZYAM-NSHDSACASA-N 0 1 278.783 3.872 20 0 CHADMN Cc1cncc(CN(Cc2ccco2)C2CCCC2)c1 ZINC000189794087 1126934610 /nfs/dbraw/zinc/93/46/10/1126934610.db2.gz TYAXMBKRGBVSIJ-UHFFFAOYSA-N 0 1 270.376 3.928 20 0 CHADMN CCCc1ccccc1-c1cnc([C@@H]2CCCCN2)nc1 ZINC000906182152 1126935125 /nfs/dbraw/zinc/93/51/25/1126935125.db2.gz MKCGVDWSWMJZNV-KRWDZBQOSA-N 0 1 281.403 3.911 20 0 CHADMN Cc1[nH]nc2ccc(-c3ccc4c(c3)OCCC[C@H]4O)cc12 ZINC000906205748 1126938082 /nfs/dbraw/zinc/93/80/82/1126938082.db2.gz UKGCEEMLLGBZTM-QGZVFWFLSA-N 0 1 294.354 3.744 20 0 CHADMN COC[C@@H](NCc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000485693470 1126942597 /nfs/dbraw/zinc/94/25/97/1126942597.db2.gz IINZGCJYLRFPRN-MRXNPFEDSA-N 0 1 293.769 3.956 20 0 CHADMN Cc1c([C@H](C)NCc2ccsc2)cnn1C(C)C ZINC000191173656 1126948904 /nfs/dbraw/zinc/94/89/04/1126948904.db2.gz LUKNINJHXBFGLX-NSHDSACASA-N 0 1 263.410 3.685 20 0 CHADMN CC(F)(F)c1cccc(NC(=O)c2cn[nH]c2C2CC2)c1 ZINC000191066340 1126947105 /nfs/dbraw/zinc/94/71/05/1126947105.db2.gz OJCONHUKNRLIOC-UHFFFAOYSA-N 0 1 291.301 3.651 20 0 CHADMN Fc1cccc([C@@H]2C[C@H]2[N@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000906585873 1126958241 /nfs/dbraw/zinc/95/82/41/1126958241.db2.gz BAOZRNSNVVAQKY-KGYLQXTDSA-N 0 1 273.273 3.566 20 0 CHADMN Fc1cccc([C@@H]2C[C@H]2N2CC[C@@H](C(F)(F)F)C2)c1 ZINC000906585873 1126958244 /nfs/dbraw/zinc/95/82/44/1126958244.db2.gz BAOZRNSNVVAQKY-KGYLQXTDSA-N 0 1 273.273 3.566 20 0 CHADMN Fc1cccc([C@@H]2C[C@@H]2[N@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000906585872 1126958752 /nfs/dbraw/zinc/95/87/52/1126958752.db2.gz BAOZRNSNVVAQKY-DRZSPHRISA-N 0 1 273.273 3.566 20 0 CHADMN Fc1cccc([C@@H]2C[C@@H]2N2CC[C@H](C(F)(F)F)C2)c1 ZINC000906585872 1126958755 /nfs/dbraw/zinc/95/87/55/1126958755.db2.gz BAOZRNSNVVAQKY-DRZSPHRISA-N 0 1 273.273 3.566 20 0 CHADMN Cc1ncsc1CCN1CCc2cc(Cl)ccc2C1 ZINC000192241159 1126959122 /nfs/dbraw/zinc/95/91/22/1126959122.db2.gz AVVYARWCNIAVIJ-UHFFFAOYSA-N 0 1 292.835 3.706 20 0 CHADMN C[C@H](NCc1ccccc1OC1CCCC1)c1ccnn1C ZINC000192696906 1126962880 /nfs/dbraw/zinc/96/28/80/1126962880.db2.gz HDWKRDGQTPUYBW-AWEZNQCLSA-N 0 1 299.418 3.592 20 0 CHADMN CN(Cc1cnc(C2CCCC2)s1)CC1=CCCOC1 ZINC000668569409 1126963431 /nfs/dbraw/zinc/96/34/31/1126963431.db2.gz XURCQAVSBQTPQM-UHFFFAOYSA-N 0 1 292.448 3.579 20 0 CHADMN C[C@H](O)CN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000192970253 1126965976 /nfs/dbraw/zinc/96/59/76/1126965976.db2.gz HZLLBFYWZSWODJ-TVQRCGJNSA-N 0 1 274.191 3.511 20 0 CHADMN COc1cc(Cl)ccc1CN[C@H](C)c1cccc(O)c1 ZINC000193386323 1126968887 /nfs/dbraw/zinc/96/88/87/1126968887.db2.gz JUHUEOVAUKPTEN-LLVKDONJSA-N 0 1 291.778 3.905 20 0 CHADMN C=Cn1cc(CN2CC[C@@H](C)C[C@H]2c2ccco2)cn1 ZINC000194032951 1126971950 /nfs/dbraw/zinc/97/19/50/1126971950.db2.gz RLUQASIOTWPSGH-HIFRSBDPSA-N 0 1 271.364 3.550 20 0 CHADMN COc1ccc(C)c(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235995359 1130824203 /nfs/dbraw/zinc/82/42/03/1130824203.db2.gz DXMDACDYYZOICV-UHFFFAOYSA-N 0 1 268.234 3.794 20 0 CHADMN FCC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000668593250 1126973364 /nfs/dbraw/zinc/97/33/64/1126973364.db2.gz SHVDGELSJAWZFT-CQSZACIVSA-N 0 1 287.382 3.648 20 0 CHADMN FCC[C@@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000668592789 1126973378 /nfs/dbraw/zinc/97/33/78/1126973378.db2.gz UTMGBEIDONXEBY-LBPRGKRZSA-N 0 1 282.428 3.594 20 0 CHADMN C/C(=C(\F)C(=O)Nc1ccccc1-c1cn[nH]c1)C1CC1 ZINC000907330472 1126976547 /nfs/dbraw/zinc/97/65/47/1126976547.db2.gz UJBPDCVLELFAQP-XNTDXEJSSA-N 0 1 285.322 3.669 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC(c2ncc[nH]2)CC1 ZINC000266793504 1126987444 /nfs/dbraw/zinc/98/74/44/1126987444.db2.gz XLSYIQQLDMYSPV-LLVKDONJSA-N 0 1 291.345 3.629 20 0 CHADMN C[C@H]1[C@@H](Cc2ccccc2)CCN1Cc1cscn1 ZINC000266936264 1126990791 /nfs/dbraw/zinc/99/07/91/1126990791.db2.gz OJMVYGIAAJIQFT-DZGCQCFKSA-N 0 1 272.417 3.596 20 0 CHADMN Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)Cc1c[nH]cn1 ZINC000908116076 1126990973 /nfs/dbraw/zinc/99/09/73/1126990973.db2.gz WMUAOMBFYLEGCE-HNNXBMFYSA-N 0 1 299.418 3.506 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@H](C)N(CC(=O)OC(C)(C)C)C1 ZINC000303786962 1126993558 /nfs/dbraw/zinc/99/35/58/1126993558.db2.gz UGPXLVQLFAYFII-LSDHHAIUSA-N 0 1 289.419 3.515 20 0 CHADMN CCOc1cc(CN2CC[C@H]3C[C@H]3C2)cc(Cl)c1OC ZINC000668676173 1126999799 /nfs/dbraw/zinc/99/97/99/1126999799.db2.gz MPZVEUGHLCCHRP-STQMWFEESA-N 0 1 295.810 3.589 20 0 CHADMN Fc1ccc(CN2CC[C@H]3C[C@H]3C2)c(C(F)(F)F)c1 ZINC000668677730 1126999967 /nfs/dbraw/zinc/99/99/67/1126999967.db2.gz WCTNHEVNHGZCQK-ONGXEEELSA-N 0 1 273.273 3.686 20 0 CHADMN Clc1ccc([C@H]2CCN2CCc2ccccn2)cc1 ZINC000267380846 1126998604 /nfs/dbraw/zinc/99/86/04/1126998604.db2.gz UTJCKTLNIILJBJ-MRXNPFEDSA-N 0 1 272.779 3.725 20 0 CHADMN CC(C)CC[C@@H]1CCCN1CC(=O)Nc1ccccc1F ZINC000486772048 1127001840 /nfs/dbraw/zinc/00/18/40/1127001840.db2.gz BDADCGOUFDHLDE-AWEZNQCLSA-N 0 1 292.398 3.665 20 0 CHADMN CCCCc1noc(C[N@H+]2CCC[C@@H]2CCC(C)C)n1 ZINC000486790956 1127002560 /nfs/dbraw/zinc/00/25/60/1127002560.db2.gz ZPBWJZKAICHPLT-CQSZACIVSA-N 0 1 279.428 3.813 20 0 CHADMN CCCCc1noc(CN2CCC[C@@H]2CCC(C)C)n1 ZINC000486790956 1127002562 /nfs/dbraw/zinc/00/25/62/1127002562.db2.gz ZPBWJZKAICHPLT-CQSZACIVSA-N 0 1 279.428 3.813 20 0 CHADMN C[C@H](N[C@@H](C)C1CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000267616024 1127003181 /nfs/dbraw/zinc/00/31/81/1127003181.db2.gz STCLASDXSKKDGZ-UWVGGRQHSA-N 0 1 291.782 3.839 20 0 CHADMN CC(C)C1CC(NCc2coc(-c3ccccc3)n2)C1 ZINC000486868257 1127007449 /nfs/dbraw/zinc/00/74/49/1127007449.db2.gz NKYPYJCYWABMRM-UHFFFAOYSA-N 0 1 270.376 3.866 20 0 CHADMN Cc1ncc(C(=O)N2CCCC[C@H]2c2cccc(C)c2C)[nH]1 ZINC000267941863 1127008845 /nfs/dbraw/zinc/00/88/45/1127008845.db2.gz HVCFSSRZXWZXCM-KRWDZBQOSA-N 0 1 297.402 3.702 20 0 CHADMN COc1ccccc1/C=C\CN1CCC(c2ccon2)CC1 ZINC000668714121 1127011017 /nfs/dbraw/zinc/01/10/17/1127011017.db2.gz KZCJRVPNZYXWMQ-XQRVVYSFSA-N 0 1 298.386 3.576 20 0 CHADMN Cc1cc(CN2CCC(c3ccon3)CC2)ccc1F ZINC000668713973 1127013033 /nfs/dbraw/zinc/01/30/33/1127013033.db2.gz GPDXOOAHOBQYAP-UHFFFAOYSA-N 0 1 274.339 3.502 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccn1)c1ccc2c(c1)COC2 ZINC000268693691 1127020775 /nfs/dbraw/zinc/02/07/75/1127020775.db2.gz ACEBYCNEDLAYDT-OLZOCXBDSA-N 0 1 268.360 3.524 20 0 CHADMN CC1(C)Cc2occc2[C@@H](N[C@@H]2c3ccccc3C[C@@H]2O)C1 ZINC000268806476 1127024838 /nfs/dbraw/zinc/02/48/38/1127024838.db2.gz CQEPZFYKDQJFPN-XYJFISCASA-N 0 1 297.398 3.541 20 0 CHADMN Cc1cscc1CNCc1cnc2ccc(Cl)cn12 ZINC000487191821 1127022881 /nfs/dbraw/zinc/02/28/81/1127022881.db2.gz WPDLECANGKEPRI-UHFFFAOYSA-N 0 1 291.807 3.647 20 0 CHADMN COCCOc1ccccc1CN[C@H](C)c1ccsc1 ZINC000268828739 1127025883 /nfs/dbraw/zinc/02/58/83/1127025883.db2.gz JWIVXAZORXDVTQ-CYBMUJFWSA-N 0 1 291.416 3.624 20 0 CHADMN Cc1ccsc1[C@H](C)NCc1cn2ccc(C)cc2n1 ZINC000268836549 1127026146 /nfs/dbraw/zinc/02/61/46/1127026146.db2.gz DKFMLJDMDCPDTR-ZDUSSCGKSA-N 0 1 285.416 3.863 20 0 CHADMN Cc1ccc(C[N@@H+](Cc2cnn(C)c2C)C(C)C)s1 ZINC000268853072 1127026159 /nfs/dbraw/zinc/02/61/59/1127026159.db2.gz BZSITIZIDOYQIL-UHFFFAOYSA-N 0 1 277.437 3.509 20 0 CHADMN Cn1ccnc1CN[C@@H]1CCCc2c3ccccc3sc21 ZINC000268869980 1127026515 /nfs/dbraw/zinc/02/65/15/1127026515.db2.gz LEOZYLOQYXAQDM-CQSZACIVSA-N 0 1 297.427 3.802 20 0 CHADMN CCOc1c(Cl)cccc1CNCc1scnc1C ZINC000487271567 1127027305 /nfs/dbraw/zinc/02/73/05/1127027305.db2.gz GWYORLYYKPYGLT-UHFFFAOYSA-N 0 1 296.823 3.793 20 0 CHADMN Cc1cc(C)c(NC(=O)N[C@H]2CCCc3cn[nH]c32)c(C)c1 ZINC000268912103 1127027632 /nfs/dbraw/zinc/02/76/32/1127027632.db2.gz UACNBCGODOQSSK-AWEZNQCLSA-N 0 1 298.390 3.534 20 0 CHADMN CC1(C)Cc2occc2[C@H](N[C@H](CO)c2ccccc2)C1 ZINC000268918159 1127029045 /nfs/dbraw/zinc/02/90/45/1127029045.db2.gz OKXPOFFWNRDFQY-HZPDHXFCSA-N 0 1 285.387 3.616 20 0 CHADMN CC1(C)Cc2occc2[C@@H](N[C@H](CO)c2ccccc2)C1 ZINC000268918161 1127029378 /nfs/dbraw/zinc/02/93/78/1127029378.db2.gz OKXPOFFWNRDFQY-JKSUJKDBSA-N 0 1 285.387 3.616 20 0 CHADMN CC(C)CCn1cccc1CN(C)CC1=CCSC1 ZINC000668775154 1127029808 /nfs/dbraw/zinc/02/98/08/1127029808.db2.gz GOWBVGQICSIOKJ-UHFFFAOYSA-N 0 1 278.465 3.639 20 0 CHADMN C[C@@H](N[C@H]1CCc2cc(F)ccc21)c1cncs1 ZINC000269041255 1127033763 /nfs/dbraw/zinc/03/37/63/1127033763.db2.gz UHDVAASDTPZFLO-RNCFNFMXSA-N 0 1 262.353 3.620 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cncs1 ZINC000269064556 1127034325 /nfs/dbraw/zinc/03/43/25/1127034325.db2.gz YMFNWNKOAWJFNR-BJJXKVORSA-N 0 1 288.416 3.714 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@@H](C)c1cnn(CC)c1 ZINC000269064522 1127034703 /nfs/dbraw/zinc/03/47/03/1127034703.db2.gz YIYXGUVNYYZMBC-UONOGXRCSA-N 0 1 287.407 3.714 20 0 CHADMN CC[C@](C)(NC/C=C/c1ccncc1)c1nc(C)cs1 ZINC000487310393 1127030313 /nfs/dbraw/zinc/03/03/13/1127030313.db2.gz XXGKHZWYRABOEV-JFDDCEBESA-N 0 1 287.432 3.775 20 0 CHADMN CC[C@@H]1CCC[C@@H](CN(C)[C@H](C)c2nc(C)no2)C1 ZINC000569825230 1127031771 /nfs/dbraw/zinc/03/17/71/1127031771.db2.gz NSUGEGIBBUWDOS-MRVWCRGKSA-N 0 1 265.401 3.587 20 0 CHADMN CCC(CC)c1cc(CNC/C=C/c2ccncc2)on1 ZINC000487303626 1127031809 /nfs/dbraw/zinc/03/18/09/1127031809.db2.gz BUOUWWUKVFOTDA-AATRIKPKSA-N 0 1 285.391 3.776 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccccc1)c1cc(F)cc(F)c1 ZINC000269005376 1127032605 /nfs/dbraw/zinc/03/26/05/1127032605.db2.gz QIUAUGCSUCGOAI-YVEFUNNKSA-N 0 1 291.341 3.739 20 0 CHADMN CO[C@H](C)c1nc(CN[C@H](C)CCc2ccco2)cs1 ZINC000269096944 1127035875 /nfs/dbraw/zinc/03/58/75/1127035875.db2.gz SALUQPKKKRTVSC-VXGBXAGGSA-N 0 1 294.420 3.554 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H](C)Oc2ccc(F)cc2)cs1 ZINC000269396373 1127038345 /nfs/dbraw/zinc/03/83/45/1127038345.db2.gz DXMVIXHFDHBNPY-WDEREUQCSA-N 0 1 294.395 3.709 20 0 CHADMN O=C(Nc1ccccc1Cl)[C@@H]1CCCN1C1CCCC1 ZINC000269624970 1127043220 /nfs/dbraw/zinc/04/32/20/1127043220.db2.gz JKFTURVPYVYASL-HNNXBMFYSA-N 0 1 292.810 3.686 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1Cc1nccs1 ZINC000269633595 1127043742 /nfs/dbraw/zinc/04/37/42/1127043742.db2.gz INXGONPGBSATIP-AWEZNQCLSA-N 0 1 258.390 3.789 20 0 CHADMN C[C@H](CC1CCCC1)C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000269904623 1127047662 /nfs/dbraw/zinc/04/76/62/1127047662.db2.gz HMLDDGWIAVGKCG-GFCCVEGCSA-N 0 1 298.390 3.627 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000487934929 1127049146 /nfs/dbraw/zinc/04/91/46/1127049146.db2.gz YDAYDRUOJQEPJP-RYUDHWBXSA-N 0 1 291.345 3.523 20 0 CHADMN Cc1ccc(-c2ncc(CN[C@@H](C)c3cn[nH]c3)s2)cc1 ZINC000270214351 1127052224 /nfs/dbraw/zinc/05/22/24/1127052224.db2.gz ONKMHBPXDWUAAT-LBPRGKRZSA-N 0 1 298.415 3.692 20 0 CHADMN COc1cc(C)nc(CN2CCC[C@@H]2c2ccsc2)c1 ZINC000270280043 1127052494 /nfs/dbraw/zinc/05/24/94/1127052494.db2.gz MFGPQMVFHAEAPT-MRXNPFEDSA-N 0 1 288.416 3.797 20 0 CHADMN COCCN(Cc1c(F)cccc1F)[C@H]1CCC[C@@H]1C ZINC000487997165 1127052879 /nfs/dbraw/zinc/05/28/79/1127052879.db2.gz DVZURWRELLKOHN-LRDDRELGSA-N 0 1 283.362 3.602 20 0 CHADMN C[N@@H+](Cc1csc(C2CC2)n1)C1Cc2ccccc2C1 ZINC000270359350 1127053496 /nfs/dbraw/zinc/05/34/96/1127053496.db2.gz XWDHJFFCXZLPJM-UHFFFAOYSA-N 0 1 284.428 3.620 20 0 CHADMN CN(Cc1csc(C2CC2)n1)C1Cc2ccccc2C1 ZINC000270359350 1127053498 /nfs/dbraw/zinc/05/34/98/1127053498.db2.gz XWDHJFFCXZLPJM-UHFFFAOYSA-N 0 1 284.428 3.620 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N1CCC[C@H]1c1ccccc1 ZINC000198750712 1127054120 /nfs/dbraw/zinc/05/41/20/1127054120.db2.gz XQQNXUSTZKODGD-INIZCTEOSA-N 0 1 291.354 3.540 20 0 CHADMN CCCC1CCC(N(Cc2ncnn2CC)C(C)C)CC1 ZINC000488197477 1127062155 /nfs/dbraw/zinc/06/21/55/1127062155.db2.gz HGBDYMROWWBGKJ-UHFFFAOYSA-N 0 1 292.471 3.867 20 0 CHADMN CC(C)c1nc(CSCC2CCCCC2)n[nH]1 ZINC000488223517 1127062996 /nfs/dbraw/zinc/06/29/96/1127062996.db2.gz AJSHZCVNZPFPCZ-UHFFFAOYSA-N 0 1 253.415 3.742 20 0 CHADMN C[C@H](CN[C@@H](C)c1cscn1)Sc1ccccc1 ZINC000271021033 1127064320 /nfs/dbraw/zinc/06/43/20/1127064320.db2.gz AOUUVMVRIIGQDN-NEPJUHHUSA-N 0 1 278.446 3.975 20 0 CHADMN Cc1cccc(C[N@@H+](Cc2ccco2)CC2=CCCOC2)c1 ZINC000271026002 1127065037 /nfs/dbraw/zinc/06/50/37/1127065037.db2.gz AGVBUEUOCWRTJC-UHFFFAOYSA-N 0 1 297.398 3.937 20 0 CHADMN Cc1cccc(CN(Cc2ccco2)CC2=CCCOC2)c1 ZINC000271026002 1127065040 /nfs/dbraw/zinc/06/50/40/1127065040.db2.gz AGVBUEUOCWRTJC-UHFFFAOYSA-N 0 1 297.398 3.937 20 0 CHADMN COc1ccc(CN2CCSC[C@@H](C)C2)c(Cl)c1 ZINC000488244603 1127065187 /nfs/dbraw/zinc/06/51/87/1127065187.db2.gz ACTVXNKFDXBERD-NSHDSACASA-N 0 1 285.840 3.534 20 0 CHADMN CCc1ncc(CN(C)[C@H](C)c2ccc(OC)cc2)s1 ZINC000271035627 1127066477 /nfs/dbraw/zinc/06/64/77/1127066477.db2.gz JHBKJKPSOYBRQV-GFCCVEGCSA-N 0 1 290.432 3.907 20 0 CHADMN Cc1ccccc1O[C@H](C)CN[C@H](C)c1cscn1 ZINC000271066897 1127066812 /nfs/dbraw/zinc/06/68/12/1127066812.db2.gz DHTFWTAAEYKUIS-CHWSQXEVSA-N 0 1 276.405 3.570 20 0 CHADMN Cc1ncc(C[N@H+](C)Cc2cccc3cc[nH]c32)s1 ZINC000271127106 1127069857 /nfs/dbraw/zinc/06/98/57/1127069857.db2.gz NFHVRNKCHNDDEQ-UHFFFAOYSA-N 0 1 271.389 3.565 20 0 CHADMN Cc1ncc(CN(C)Cc2cccc3cc[nH]c32)s1 ZINC000271127106 1127069859 /nfs/dbraw/zinc/06/98/59/1127069859.db2.gz NFHVRNKCHNDDEQ-UHFFFAOYSA-N 0 1 271.389 3.565 20 0 CHADMN C[C@H](NCC1(c2cccc(F)c2)CC1)c1cscn1 ZINC000271187345 1127072590 /nfs/dbraw/zinc/07/25/90/1127072590.db2.gz WXNKVQZZEGJXCF-NSHDSACASA-N 0 1 276.380 3.665 20 0 CHADMN Cc1ccsc1CN1CC=C(C(F)(F)F)CC1 ZINC000271216532 1127073363 /nfs/dbraw/zinc/07/33/63/1127073363.db2.gz XEYJJZDMUPXSBO-UHFFFAOYSA-N 0 1 261.312 3.751 20 0 CHADMN C[C@H](NCc1ccc(F)cc1F)c1ccccc1N(C)C ZINC000271287687 1127074405 /nfs/dbraw/zinc/07/44/05/1127074405.db2.gz RJTXQHGXPZHPOQ-LBPRGKRZSA-N 0 1 290.357 3.882 20 0 CHADMN Cn1cc(CNCc2coc3ccccc23)c(C(C)(C)C)n1 ZINC000271252388 1127074519 /nfs/dbraw/zinc/07/45/19/1127074519.db2.gz KWUQWTQMNHHDRF-UHFFFAOYSA-N 0 1 297.402 3.754 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000271451738 1127082556 /nfs/dbraw/zinc/08/25/56/1127082556.db2.gz GJFAXLXWDOKMRK-QWHCGFSZSA-N 0 1 286.423 3.902 20 0 CHADMN CCOc1ccc(Cl)cc1[C@H](C)N[C@H](C)c1cn[nH]c1 ZINC000271406987 1127078808 /nfs/dbraw/zinc/07/88/08/1127078808.db2.gz ADHZZARPMJFULF-MNOVXSKESA-N 0 1 293.798 3.874 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](C)c2oc3ccccc3c2C)n[nH]1 ZINC000271419514 1127079950 /nfs/dbraw/zinc/07/99/50/1127079950.db2.gz BSVZMBPHSLQPIX-NWDGAFQWSA-N 0 1 298.390 3.834 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H](C)c2c(C)noc2C)cs1 ZINC000271444131 1127081771 /nfs/dbraw/zinc/08/17/71/1127081771.db2.gz CRIZUSUPSVWGGW-BDAKNGLRSA-N 0 1 279.409 3.511 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H](C)c2c(C)noc2C)cs1 ZINC000271444133 1127081847 /nfs/dbraw/zinc/08/18/47/1127081847.db2.gz CRIZUSUPSVWGGW-DTWKUNHWSA-N 0 1 279.409 3.511 20 0 CHADMN Cn1c(CN2CCCc3occc3C2)cc2ccccc21 ZINC000911595636 1127083222 /nfs/dbraw/zinc/08/32/22/1127083222.db2.gz LBDJJNWGWZTLDG-UHFFFAOYSA-N 0 1 280.371 3.720 20 0 CHADMN C[C@H](NCc1cccc(OCC(F)F)c1)c1cncs1 ZINC000271504469 1127087889 /nfs/dbraw/zinc/08/78/89/1127087889.db2.gz RFOKXRKRKOMSMM-JTQLQIEISA-N 0 1 298.358 3.638 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cncs2)cc1Cl ZINC000271508627 1127088025 /nfs/dbraw/zinc/08/80/25/1127088025.db2.gz NHTFDLTXAPFBAM-VIFPVBQESA-N 0 1 282.796 3.656 20 0 CHADMN C[C@@H](NCc1ccc(OC2CCCC2)cc1)c1cnn(C)c1 ZINC000271517187 1127089099 /nfs/dbraw/zinc/08/90/99/1127089099.db2.gz UGMZJFKDGFWJAV-CQSZACIVSA-N 0 1 299.418 3.592 20 0 CHADMN C[C@H](N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cn[nH]c1 ZINC000271573633 1127092696 /nfs/dbraw/zinc/09/26/96/1127092696.db2.gz WBLKDFBMEYIWAN-XJKSGUPXSA-N 0 1 297.402 3.897 20 0 CHADMN Cc1cc(C)cc([C@@H](C)N[C@H]2CCCc3c[nH]nc32)c1 ZINC000271537245 1127089360 /nfs/dbraw/zinc/08/93/60/1127089360.db2.gz SBLROTFSVFOWOE-CJNGLKHVSA-N 0 1 269.392 3.755 20 0 CHADMN C[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(Cl)cc1 ZINC000271539223 1127089934 /nfs/dbraw/zinc/08/99/34/1127089934.db2.gz SMIOCSKVMYDXRP-HZMBPMFUSA-N 0 1 275.783 3.791 20 0 CHADMN COc1ccccc1[C@H](C)N[C@H](C)c1cnccc1C ZINC000271561596 1127091721 /nfs/dbraw/zinc/09/17/21/1127091721.db2.gz OKFXMTYLFKUBTE-UONOGXRCSA-N 0 1 270.376 3.810 20 0 CHADMN COc1ccccc1C1(NCc2ccc3c(c2)CCC3)CC1 ZINC000646000728 1127094460 /nfs/dbraw/zinc/09/44/60/1127094460.db2.gz RFGVBOBCEJNRTB-UHFFFAOYSA-N 0 1 293.410 3.963 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)c2cnccc2C)c1 ZINC000271593616 1127094495 /nfs/dbraw/zinc/09/44/95/1127094495.db2.gz SSAYVMYRQPLECV-KBPBESRZSA-N 0 1 297.402 3.760 20 0 CHADMN C[C@H](NC/C=C/Cl)c1ccccc1OC(F)F ZINC000271658633 1127095910 /nfs/dbraw/zinc/09/59/10/1127095910.db2.gz GKHYOEZLKSSZLK-IYNCYZAOSA-N 0 1 261.699 3.691 20 0 CHADMN c1cn2c(cccc2C[N@H+]2CCC[C@H]2c2ccsc2)n1 ZINC000271697436 1127096482 /nfs/dbraw/zinc/09/64/82/1127096482.db2.gz BPWAWGSBAZWQBF-HNNXBMFYSA-N 0 1 283.400 3.733 20 0 CHADMN c1cn2c(cccc2CN2CCC[C@H]2c2ccsc2)n1 ZINC000271697436 1127096484 /nfs/dbraw/zinc/09/64/84/1127096484.db2.gz BPWAWGSBAZWQBF-HNNXBMFYSA-N 0 1 283.400 3.733 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccc(Cl)n2)cc1 ZINC000271670717 1127097103 /nfs/dbraw/zinc/09/71/03/1127097103.db2.gz MWPYWLJZKJWEMS-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN Fc1cc(F)c(F)c(CN[C@H]2CC[C@@H]2C2CCC2)c1F ZINC000669848219 1127097330 /nfs/dbraw/zinc/09/73/30/1127097330.db2.gz IDAKGUNJLSZVPL-RNCFNFMXSA-N 0 1 287.300 3.911 20 0 CHADMN Cc1nc2ccc(CSCc3cnc(C)o3)cc2[nH]1 ZINC000912428749 1127098159 /nfs/dbraw/zinc/09/81/59/1127098159.db2.gz HLTAIRGUBHMFRU-UHFFFAOYSA-N 0 1 273.361 3.601 20 0 CHADMN CCS[C@@H](C)c1noc(-c2cc(Cl)ccc2O)n1 ZINC000273887199 1127101257 /nfs/dbraw/zinc/10/12/57/1127101257.db2.gz IWXLXCIZAMPSCY-ZETCQYMHSA-N 0 1 284.768 3.910 20 0 CHADMN CCS[C@H](C)c1noc(-c2cc(Cl)ccc2O)n1 ZINC000273887195 1127101584 /nfs/dbraw/zinc/10/15/84/1127101584.db2.gz IWXLXCIZAMPSCY-SSDOTTSWSA-N 0 1 284.768 3.910 20 0 CHADMN C[C@@H](c1cnccn1)N1CCC(Cc2ccccc2F)CC1 ZINC000274306200 1127112482 /nfs/dbraw/zinc/11/24/82/1127112482.db2.gz DMTFEBJFGORPQP-AWEZNQCLSA-N 0 1 299.393 3.631 20 0 CHADMN Cc1oc([C@H](C)[N@H+]2CC3(CCC3)C[C@@H]2C)cc1C(=O)[O-] ZINC000570639116 1127116004 /nfs/dbraw/zinc/11/60/04/1127116004.db2.gz SQIZGKPNBHHTPB-QWRGUYRKSA-N 0 1 277.364 3.612 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2c2ccncc2)cc1F ZINC000348894675 1127133238 /nfs/dbraw/zinc/13/32/38/1127133238.db2.gz OPCUFBVIFAUONN-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN COc1ccc(CN2CC[C@H]2c2ccccc2)c(C)c1OC ZINC000570886930 1127137020 /nfs/dbraw/zinc/13/70/20/1127137020.db2.gz PTIBKRRUZQUKJZ-KRWDZBQOSA-N 0 1 297.398 3.959 20 0 CHADMN CC[C@@H](CC(F)(F)F)NCc1cccnc1Cl ZINC000760652747 1127143457 /nfs/dbraw/zinc/14/34/57/1127143457.db2.gz RJTZWKLOMCIVIX-VIFPVBQESA-N 0 1 266.694 3.556 20 0 CHADMN CN(C)Cc1cnc(/C=C\c2nc3ccccc3o2)s1 ZINC000349106305 1127139843 /nfs/dbraw/zinc/13/98/43/1127139843.db2.gz HWSJWASJWGSNTN-FPLPWBNLSA-N 0 1 285.372 3.516 20 0 CHADMN CCCN(Cc1nc(C(=O)OCC)c(C)s1)[C@H](C)CC ZINC001237226688 1131072030 /nfs/dbraw/zinc/07/20/30/1131072030.db2.gz HVXOHENZCUMXKH-LLVKDONJSA-N 0 1 298.452 3.639 20 0 CHADMN CO[C@H](c1ccccc1)[C@@H](C)NCc1noc2ccccc12 ZINC000570941612 1127149714 /nfs/dbraw/zinc/14/97/14/1127149714.db2.gz PJGNZWYFNRKKSY-ACJLOTCBSA-N 0 1 296.370 3.694 20 0 CHADMN OC[C@H](N[C@@H]1CCc2ccc(Cl)cc21)c1ccsc1 ZINC000349341615 1127148400 /nfs/dbraw/zinc/14/84/00/1127148400.db2.gz LFGSXRHQEVSEIQ-CABCVRRESA-N 0 1 293.819 3.712 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC3(C2)CCCCC3)[nH]1 ZINC000283650719 1127149236 /nfs/dbraw/zinc/14/92/36/1127149236.db2.gz CXQHNTBDMYVAPC-UHFFFAOYSA-N 0 1 297.402 3.668 20 0 CHADMN CCC[C@@H](NCc1ccc(OC)cc1F)c1cccnc1 ZINC000349517815 1127153214 /nfs/dbraw/zinc/15/32/14/1127153214.db2.gz PEBYZLBFWHDSCV-QGZVFWFLSA-N 0 1 288.366 3.860 20 0 CHADMN Cc1ccsc1CN(C)Cc1ccc(Cl)o1 ZINC000349563540 1127154386 /nfs/dbraw/zinc/15/43/86/1127154386.db2.gz PHWAVOFNRXPOCH-UHFFFAOYSA-N 0 1 255.770 3.935 20 0 CHADMN Cc1ccsc1CN(C)Cc1c(C)nc2ccccn21 ZINC000349546646 1127154483 /nfs/dbraw/zinc/15/44/83/1127154483.db2.gz WYZVRKOELYIYES-UHFFFAOYSA-N 0 1 285.416 3.645 20 0 CHADMN Cc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)n[nH]1 ZINC000349408353 1127149804 /nfs/dbraw/zinc/14/98/04/1127149804.db2.gz PQIIHCSTYWIXRB-CXAGYDPISA-N 0 1 297.402 3.640 20 0 CHADMN Fc1cccc(C2(CNCc3ncc(Cl)s3)CC2)c1 ZINC000349608794 1127155684 /nfs/dbraw/zinc/15/56/84/1127155684.db2.gz HDLSSYGQUGQETE-UHFFFAOYSA-N 0 1 296.798 3.757 20 0 CHADMN COCC[N@@H+](C)Cc1ccc(F)c(-c2cccs2)c1 ZINC000349805220 1127161981 /nfs/dbraw/zinc/16/19/81/1127161981.db2.gz VQCZNBMQUMDBKH-UHFFFAOYSA-N 0 1 279.380 3.632 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C3(C(F)F)CCCC3)ccc12 ZINC000571735317 1127166985 /nfs/dbraw/zinc/16/69/85/1127166985.db2.gz DODLHJIKNLYZDA-UHFFFAOYSA-N 0 1 293.317 3.635 20 0 CHADMN Cc1cccc(CN(C)C/C=C/c2ccc(F)cc2F)n1 ZINC000349968447 1127168751 /nfs/dbraw/zinc/16/87/51/1127168751.db2.gz HNJIVVBLBHYXRB-GQCTYLIASA-N 0 1 288.341 3.813 20 0 CHADMN CCOc1cccc(CN2CCc3sccc3C2)c1 ZINC000349971829 1127169270 /nfs/dbraw/zinc/16/92/70/1127169270.db2.gz LERIJZRZPIKCLI-UHFFFAOYSA-N 0 1 273.401 3.705 20 0 CHADMN CC[C@]1(C)CCCN(Cc2ccncc2Cl)C1 ZINC000350040927 1127171273 /nfs/dbraw/zinc/17/12/73/1127171273.db2.gz LFVIIOGNSJWCML-CQSZACIVSA-N 0 1 252.789 3.747 20 0 CHADMN Cc1cc([C@@H](C)NCCc2ccc(Cl)cc2)no1 ZINC000284093421 1127173234 /nfs/dbraw/zinc/17/32/34/1127173234.db2.gz MLCJIRJAULCMBZ-LLVKDONJSA-N 0 1 264.756 3.530 20 0 CHADMN COCC[C@@H](NCc1ccc(C)cc1)c1ccc(C)o1 ZINC000350284968 1127175927 /nfs/dbraw/zinc/17/59/27/1127175927.db2.gz DHXPMAAQMOYNKX-MRXNPFEDSA-N 0 1 273.376 3.764 20 0 CHADMN Cc1cc(C)c(CN(C)Cc2ccccn2)cc1C ZINC000350353345 1127177512 /nfs/dbraw/zinc/17/75/12/1127177512.db2.gz JNTHKGMDYVJGCG-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN CC[C@H]1CCCN1Cc1cnc(C)c(Br)c1 ZINC001237569343 1131113605 /nfs/dbraw/zinc/11/36/05/1131113605.db2.gz OTSSXDRDOFEYFV-LBPRGKRZSA-N 0 1 283.213 3.527 20 0 CHADMN COc1c(C)cnc(CN(C)Cc2cccc(C)c2C)c1C ZINC001307794613 1127178641 /nfs/dbraw/zinc/17/86/41/1127178641.db2.gz USQPXYSOTXJRKN-UHFFFAOYSA-N 0 1 298.430 3.956 20 0 CHADMN Cc1c(CN(C)[C@H](C)c2ccc(F)c(Cl)c2)cnn1C ZINC000571865680 1127179288 /nfs/dbraw/zinc/17/92/88/1127179288.db2.gz MEUGGQZYRJKLGP-SNVBAGLBSA-N 0 1 295.789 3.714 20 0 CHADMN Cc1cc([C@H](C)NCCCCOc2ccc(C)cc2)no1 ZINC000284265885 1127179344 /nfs/dbraw/zinc/17/93/44/1127179344.db2.gz WMOLHBYWOUCBNL-HNNXBMFYSA-N 0 1 288.391 3.801 20 0 CHADMN Cc1cc([C@@H](C)NC[C@H](C)Oc2ccc(Cl)cc2)no1 ZINC000284287810 1127180005 /nfs/dbraw/zinc/18/00/05/1127180005.db2.gz XSFVBKGPJNIPPQ-NWDGAFQWSA-N 0 1 294.782 3.755 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cn[nH]c2)c(OC(C)(C)C)c1 ZINC000284309425 1127180156 /nfs/dbraw/zinc/18/01/56/1127180156.db2.gz ZFAPJWPWCQBCBK-CYBMUJFWSA-N 0 1 287.407 3.746 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCc1cscn1 ZINC000284359006 1127181506 /nfs/dbraw/zinc/18/15/06/1127181506.db2.gz SPUHEVZKAZDGCF-JTQLQIEISA-N 0 1 282.359 3.657 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N(C)CCc1cscn1 ZINC000284359006 1127181508 /nfs/dbraw/zinc/18/15/08/1127181508.db2.gz SPUHEVZKAZDGCF-JTQLQIEISA-N 0 1 282.359 3.657 20 0 CHADMN CC[C@@H](C)CN1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000350989953 1127183526 /nfs/dbraw/zinc/18/35/26/1127183526.db2.gz NBVZLBIRARZKJR-LLVKDONJSA-N 0 1 260.356 3.711 20 0 CHADMN C[C@@H]1CCC[C@@H](CCN2CCC[C@H]2c2ncc[nH]2)C1 ZINC000351023465 1127183899 /nfs/dbraw/zinc/18/38/99/1127183899.db2.gz AEXHQSGDOGVRJD-ILXRZTDVSA-N 0 1 261.413 3.763 20 0 CHADMN CC(C)N(Cc1nc2c(s1)C[C@H](C)CC2)C1CC1 ZINC000351028495 1127184344 /nfs/dbraw/zinc/18/43/44/1127184344.db2.gz SACLTEHHBBVYML-LLVKDONJSA-N 0 1 264.438 3.641 20 0 CHADMN CCc1nc([C@@H](C)NC[C@H](OC)c2ccccc2)cs1 ZINC000284482506 1127186150 /nfs/dbraw/zinc/18/61/50/1127186150.db2.gz TYHBGLWGQRUOEN-DOMZBBRYSA-N 0 1 290.432 3.744 20 0 CHADMN Cc1cc(CN[C@@H]2CCCc3c(Cl)cccc32)n(C)n1 ZINC000284511125 1127186815 /nfs/dbraw/zinc/18/68/15/1127186815.db2.gz WCHAAMLFAQDDGN-MRXNPFEDSA-N 0 1 289.810 3.549 20 0 CHADMN COc1ccc(CN(C)CCC2CC2)c(Br)c1 ZINC000572046364 1127189884 /nfs/dbraw/zinc/18/98/84/1127189884.db2.gz HOFMRMVAWAWHHY-UHFFFAOYSA-N 0 1 298.224 3.690 20 0 CHADMN Cc1occc1C[N@H+](C)CCO[C@@H]1CCCC[C@H]1C ZINC000351562870 1127193568 /nfs/dbraw/zinc/19/35/68/1127193568.db2.gz CMZZRYRQEGFXBU-CZUORRHYSA-N 0 1 265.397 3.615 20 0 CHADMN Cc1occc1CN(C)CCO[C@@H]1CCCC[C@H]1C ZINC000351562870 1127193571 /nfs/dbraw/zinc/19/35/71/1127193571.db2.gz CMZZRYRQEGFXBU-CZUORRHYSA-N 0 1 265.397 3.615 20 0 CHADMN CC(C)Cn1ccnc1NCc1c(F)cccc1Cl ZINC000351568447 1127194208 /nfs/dbraw/zinc/19/42/08/1127194208.db2.gz MHVVAVJRGHRVKN-UHFFFAOYSA-N 0 1 281.762 3.944 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/c1ccc(Cl)cc1 ZINC000351592354 1127195951 /nfs/dbraw/zinc/19/59/51/1127195951.db2.gz KAUYJWPUCYMKJZ-NUKKAUTMSA-N 0 1 275.779 3.549 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)N2C/C=C/c1ccc(Cl)cc1 ZINC000351592354 1127195954 /nfs/dbraw/zinc/19/59/54/1127195954.db2.gz KAUYJWPUCYMKJZ-NUKKAUTMSA-N 0 1 275.779 3.549 20 0 CHADMN C[C@@H]1CC[C@H](N(C)Cc2cc(C(C)(C)C)on2)C1 ZINC000572325668 1127198559 /nfs/dbraw/zinc/19/85/59/1127198559.db2.gz LWMFPFXVKLXJQF-YPMHNXCESA-N 0 1 250.386 3.593 20 0 CHADMN Cc1cc(C)c(Cl)c(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001237704774 1131130509 /nfs/dbraw/zinc/13/05/09/1131130509.db2.gz PXGFZTQLWSEAAE-FPMFFAJLSA-N 0 1 267.775 3.889 20 0 CHADMN CN(Cc1cccn1C)Cc1ccc(C2CCC2)cc1 ZINC000351640138 1127200543 /nfs/dbraw/zinc/20/05/43/1127200543.db2.gz GDZYFARQSRSANN-UHFFFAOYSA-N 0 1 268.404 3.925 20 0 CHADMN CSC[C@@H]1CCC[N@H+]1Cc1cccc(OC(C)(C)C)n1 ZINC000351703575 1127205152 /nfs/dbraw/zinc/20/51/52/1127205152.db2.gz OOYPPIYKDYPYHJ-AWEZNQCLSA-N 0 1 294.464 3.586 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc3c(c2)OC(F)(F)O3)o1 ZINC000351767252 1127208706 /nfs/dbraw/zinc/20/87/06/1127208706.db2.gz UKVZVGVIVIXQSN-JTQLQIEISA-N 0 1 295.285 3.760 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN[C@H](CO)c1ccsc1 ZINC000351873360 1127212729 /nfs/dbraw/zinc/21/27/29/1127212729.db2.gz BJUBLOFNMFADQU-OAHLLOKOSA-N 0 1 295.835 3.842 20 0 CHADMN FCCCCN1CCc2cccc(Br)c2C1 ZINC000351879012 1127212743 /nfs/dbraw/zinc/21/27/43/1127212743.db2.gz GBYXESMKNLBTNH-UHFFFAOYSA-N 0 1 286.188 3.557 20 0 CHADMN CC(C)N(Cc1cc(-c2ccccc2)on1)C1CC1 ZINC000284993590 1127214624 /nfs/dbraw/zinc/21/46/24/1127214624.db2.gz LGYCEOFHAGJDOX-UHFFFAOYSA-N 0 1 256.349 3.714 20 0 CHADMN CCCc1ccc(C[N@H+]2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000572773813 1127226886 /nfs/dbraw/zinc/22/68/86/1127226886.db2.gz IBWIUKRPEMFMPW-SFHVURJKSA-N 0 1 289.419 3.572 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@@H]1C1CC1)c1nc(C(C)(C)C)no1 ZINC000572813862 1127227236 /nfs/dbraw/zinc/22/72/36/1127227236.db2.gz JAEGOVFFUZSWAM-IACUBPJLSA-N 0 1 291.439 3.987 20 0 CHADMN C[C@H](NCc1ccc2cccnc2c1)c1ccco1 ZINC000589636715 1127231252 /nfs/dbraw/zinc/23/12/52/1127231252.db2.gz PCYOVNUXJBCOHM-LBPRGKRZSA-N 0 1 252.317 3.679 20 0 CHADMN Cc1ccccc1NC(=O)CN(C)C[C@H](C)c1ccccc1 ZINC000589606876 1127229845 /nfs/dbraw/zinc/22/98/45/1127229845.db2.gz WVSUHEJPQLAFJH-INIZCTEOSA-N 0 1 296.414 3.669 20 0 CHADMN CC[C@@H](C)[N@@H+](CCCCc1cccc(Cl)c1)CC(=O)[O-] ZINC000622002102 1129217690 /nfs/dbraw/zinc/21/76/90/1129217690.db2.gz VKMAGBALBKTDSW-CYBMUJFWSA-N 0 1 297.826 3.848 20 0 CHADMN CC(C)COc1cccc(CNCc2ccc(F)cn2)c1 ZINC000352428448 1127231338 /nfs/dbraw/zinc/23/13/38/1127231338.db2.gz QDAVEUGXWABSAH-UHFFFAOYSA-N 0 1 288.366 3.545 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc(Cl)ccc2Cl)n[nH]1 ZINC000589646921 1127232864 /nfs/dbraw/zinc/23/28/64/1127232864.db2.gz GZGIKSUGDPYFKY-VIFPVBQESA-N 0 1 284.190 3.876 20 0 CHADMN CC(C)n1nccc1CN[C@H]1CCc2sc(Cl)cc21 ZINC000352467202 1127234962 /nfs/dbraw/zinc/23/49/62/1127234962.db2.gz XQXWIFDFKOQYPQ-LBPRGKRZSA-N 0 1 295.839 3.956 20 0 CHADMN c1csc([C@@H](NCc2cnc3ccccc3n2)C2CC2)c1 ZINC000589832429 1127236632 /nfs/dbraw/zinc/23/66/32/1127236632.db2.gz CKBNIOCKMDVAFZ-KRWDZBQOSA-N 0 1 295.411 3.932 20 0 CHADMN Cc1ccnc([C@@H](C)NCc2ccc(F)c(C)c2)c1 ZINC000285553719 1127237631 /nfs/dbraw/zinc/23/76/31/1127237631.db2.gz GUDLEGJWNIXSQE-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1cc(C)ccc1C ZINC000285581913 1127238260 /nfs/dbraw/zinc/23/82/60/1127238260.db2.gz VHOVJEPHEPLLEC-UHFFFAOYSA-N 0 1 272.392 3.933 20 0 CHADMN C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ccon2)C1 ZINC000285645800 1127240163 /nfs/dbraw/zinc/24/01/63/1127240163.db2.gz SALFOTRHECWMSI-CZUORRHYSA-N 0 1 256.349 3.648 20 0 CHADMN C[C@@H]1CC[C@H](c2ccccc2)N(Cc2ccon2)C1 ZINC000285645800 1127240166 /nfs/dbraw/zinc/24/01/66/1127240166.db2.gz SALFOTRHECWMSI-CZUORRHYSA-N 0 1 256.349 3.648 20 0 CHADMN Cc1cnc(CN2C[C@@H](C)CC[C@@H]2c2ccccc2)o1 ZINC000285702110 1127240539 /nfs/dbraw/zinc/24/05/39/1127240539.db2.gz VYTFTXQENHPMCH-XJKSGUPXSA-N 0 1 270.376 3.956 20 0 CHADMN C[C@@H](N[C@H]1CCC12CCCC2)c1c(F)cncc1F ZINC000285722406 1127241557 /nfs/dbraw/zinc/24/15/57/1127241557.db2.gz QGNBYCZCTZODJY-MFKMUULPSA-N 0 1 266.335 3.733 20 0 CHADMN C[C@@H](NC1CC(c2ccccc2)C1)c1c(F)cncc1F ZINC000285826995 1127244181 /nfs/dbraw/zinc/24/41/81/1127244181.db2.gz XMIYOCNAXVEKFL-LMWSTFAQSA-N 0 1 288.341 3.957 20 0 CHADMN Cc1c[nH]nc1CN[C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000352956604 1127253913 /nfs/dbraw/zinc/25/39/13/1127253913.db2.gz ZQGCFQDFUBCUAA-HOTGVXAUSA-N 0 1 269.392 3.692 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2ccc3occc3c2)n[nH]1 ZINC000286017345 1127253935 /nfs/dbraw/zinc/25/39/35/1127253935.db2.gz PSLWFBMLHGOHIH-NEPJUHHUSA-N 0 1 298.390 3.915 20 0 CHADMN Cc1cn[nH]c1CNc1cc(Cc2ccccn2)ccc1C ZINC000352904667 1127249627 /nfs/dbraw/zinc/24/96/27/1127249627.db2.gz UJDJBXCHFYQFRG-UHFFFAOYSA-N 0 1 292.386 3.624 20 0 CHADMN Cc1c[nH]nc1CN[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000352956607 1127253995 /nfs/dbraw/zinc/25/39/95/1127253995.db2.gz ZQGCFQDFUBCUAA-JKSUJKDBSA-N 0 1 269.392 3.692 20 0 CHADMN Cc1ccnc([C@H](C)NCc2ccc(F)c(F)c2)c1 ZINC000286019646 1127253775 /nfs/dbraw/zinc/25/37/75/1127253775.db2.gz JQHVUPMWOPJBHQ-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN CC(C)N(Cc1cccs1)C(=O)c1cccc2c[nH]nc21 ZINC000352955770 1127253878 /nfs/dbraw/zinc/25/38/78/1127253878.db2.gz JBOGHKFFDZWWGQ-UHFFFAOYSA-N 0 1 299.399 3.675 20 0 CHADMN CC(C)Cc1ccc(CN[C@H](c2nccn2C)C2CC2)cc1 ZINC000353013749 1127258041 /nfs/dbraw/zinc/25/80/41/1127258041.db2.gz BDXLNSHIDCQVGA-SFHVURJKSA-N 0 1 297.446 3.860 20 0 CHADMN C[C@H]1CCSCCN1Cc1cc(-c2ccccc2)on1 ZINC000286143689 1127260918 /nfs/dbraw/zinc/26/09/18/1127260918.db2.gz NEFFFJGWBMYRRV-ZDUSSCGKSA-N 0 1 288.416 3.669 20 0 CHADMN CC(C)[C@H]1CN(Cc2cccc(-c3cccnc3)c2)CCO1 ZINC000353156639 1127263566 /nfs/dbraw/zinc/26/35/66/1127263566.db2.gz ZZFGFBSKBLABIH-LJQANCHMSA-N 0 1 296.414 3.605 20 0 CHADMN Cc1nccc(N(C)CCc2cccs2)c1Cl ZINC000353175939 1127263572 /nfs/dbraw/zinc/26/35/72/1127263572.db2.gz SRUGGWUEQXMECA-UHFFFAOYSA-N 0 1 266.797 3.784 20 0 CHADMN CC(C)[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)CCO1 ZINC000353156638 1127263608 /nfs/dbraw/zinc/26/36/08/1127263608.db2.gz ZZFGFBSKBLABIH-IBGZPJMESA-N 0 1 296.414 3.605 20 0 CHADMN CCOC[C@@H](NCc1nc(Cl)ccc1Cl)C(C)C ZINC000286334654 1127265592 /nfs/dbraw/zinc/26/55/92/1127265592.db2.gz XEGJDNCFXZZOSQ-GFCCVEGCSA-N 0 1 291.222 3.539 20 0 CHADMN FCCCCN1CCn2cccc2[C@H]1c1ccccc1 ZINC000286476836 1127267750 /nfs/dbraw/zinc/26/77/50/1127267750.db2.gz POHFJAHUVXPFGE-QGZVFWFLSA-N 0 1 272.367 3.643 20 0 CHADMN CC[C@@H](N[C@@H]1CCc2sc(Cl)cc21)c1cnn(C)c1 ZINC000353563484 1127270022 /nfs/dbraw/zinc/27/00/22/1127270022.db2.gz FCNQGQWASJIBAX-VXGBXAGGSA-N 0 1 295.839 3.863 20 0 CHADMN C[C@@H](NCc1ccc2sccc2c1)c1cnccn1 ZINC000353573537 1127270029 /nfs/dbraw/zinc/27/00/29/1127270029.db2.gz IAXUSIAHISMEES-LLVKDONJSA-N 0 1 269.373 3.542 20 0 CHADMN COc1ccc2ccccc2c1CNCc1cccnc1C ZINC000590880778 1127277100 /nfs/dbraw/zinc/27/71/00/1127277100.db2.gz AUGYMBIMDSQWOD-UHFFFAOYSA-N 0 1 292.382 3.842 20 0 CHADMN Cc1c(Cl)ccc(CN(C)Cc2cccnc2)c1C ZINC001238215519 1131182004 /nfs/dbraw/zinc/18/20/04/1131182004.db2.gz NNQRHQVPURDRDT-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN(C)[C@H](CCO)c2ccccc2)o1 ZINC000353925762 1127279503 /nfs/dbraw/zinc/27/95/03/1127279503.db2.gz WWZVNCPAHOPYGZ-FHLIZLRMSA-N 0 1 299.414 3.959 20 0 CHADMN CC(C)n1nccc1CNCc1csc2ccccc12 ZINC000353931315 1127279797 /nfs/dbraw/zinc/27/97/97/1127279797.db2.gz IYXRCOMNRFFXMR-UHFFFAOYSA-N 0 1 285.416 3.969 20 0 CHADMN CC[C@H](NCc1cnn(CC)c1)c1ccc(Cl)s1 ZINC000353969448 1127282634 /nfs/dbraw/zinc/28/26/34/1127282634.db2.gz AIYARCGBYFXVNY-NSHDSACASA-N 0 1 283.828 3.859 20 0 CHADMN COCc1nc(CN2CCC[C@@H]2CCC(C)C)cs1 ZINC000354026356 1127286177 /nfs/dbraw/zinc/28/61/77/1127286177.db2.gz RXURVZHLBXKHMH-CQSZACIVSA-N 0 1 282.453 3.690 20 0 CHADMN Cc1cc(Br)ccc1CN(C)Cc1ccc[nH]1 ZINC000354034286 1127287082 /nfs/dbraw/zinc/28/70/82/1127287082.db2.gz QBSFYPFLUZNDLI-UHFFFAOYSA-N 0 1 293.208 3.718 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1Cc1csc(COC)n1 ZINC000354034897 1127287572 /nfs/dbraw/zinc/28/75/72/1127287572.db2.gz UQKRNQJXRVQVGV-TZMCWYRMSA-N 0 1 282.453 3.690 20 0 CHADMN Cc1nc(CN2CC[C@@H](C)C(C)(C)C2)sc1C ZINC000354042825 1127288488 /nfs/dbraw/zinc/28/84/88/1127288488.db2.gz SIADAZNQSQMQCJ-SNVBAGLBSA-N 0 1 252.427 3.628 20 0 CHADMN Clc1ccc2c(c1)CN(Cc1cccc3c[nH]nc31)CC2 ZINC000354061034 1127289065 /nfs/dbraw/zinc/28/90/65/1127289065.db2.gz KPKZYHJRYPKHIR-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN C[C@H]1CN(Cc2c(F)ccnc2Cl)CCC[C@@H]1C ZINC001238224451 1131185114 /nfs/dbraw/zinc/18/51/14/1131185114.db2.gz KMJRBAUIUFITQF-QWRGUYRKSA-N 0 1 270.779 3.742 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccc(Cl)cc1)c1ccncc1 ZINC000287206098 1127296645 /nfs/dbraw/zinc/29/66/45/1127296645.db2.gz WPCBALPWGNIOMS-MLGOLLRUSA-N 0 1 290.794 3.509 20 0 CHADMN Cc1nccc(NCc2ncoc2-c2ccccc2)c1Cl ZINC000354171421 1127297160 /nfs/dbraw/zinc/29/71/60/1127297160.db2.gz IBYZCSFTGYTZAA-UHFFFAOYSA-N 0 1 299.761 3.732 20 0 CHADMN C[C@H](N[C@H]1CSC[C@H]1C)c1nc(C(F)(F)F)cs1 ZINC000287375550 1127302660 /nfs/dbraw/zinc/30/26/60/1127302660.db2.gz HYKLRAKPAJYLRQ-CSMHCCOUSA-N 0 1 296.383 3.564 20 0 CHADMN CCc1cccc(N[C@H](c2nnc[nH]2)c2ccc(F)cc2)c1 ZINC000573271738 1127305411 /nfs/dbraw/zinc/30/54/11/1127305411.db2.gz YWHRBEWOUMODLH-INIZCTEOSA-N 0 1 296.349 3.708 20 0 CHADMN COCCCOc1ccc(CN[C@H](C)c2ccco2)cc1 ZINC000287479562 1127307955 /nfs/dbraw/zinc/30/79/55/1127307955.db2.gz MTTZVTXSTMTCDL-CQSZACIVSA-N 0 1 289.375 3.546 20 0 CHADMN C[C@@H]1COCC[C@@H]1CN[C@@H](CCc1ccccc1)C(F)F ZINC000287483395 1127307967 /nfs/dbraw/zinc/30/79/67/1127307967.db2.gz MXLLBPGCFAXKCL-BMFZPTHFSA-N 0 1 297.389 3.515 20 0 CHADMN CC[C@@H](NCc1cnccc1OC)c1ccc(C)cc1 ZINC000287555083 1127309797 /nfs/dbraw/zinc/30/97/97/1127309797.db2.gz AVLMONZUHCUROC-MRXNPFEDSA-N 0 1 270.376 3.640 20 0 CHADMN Fc1cccc(Cl)c1CNCC1(C(F)F)CC1 ZINC000355134506 1127319929 /nfs/dbraw/zinc/31/99/29/1127319929.db2.gz PCMVAGIKCGWOHD-UHFFFAOYSA-N 0 1 263.690 3.614 20 0 CHADMN Cc1ncccc1CN1Cc2ccccc2OC(C)(C)C1 ZINC000573607889 1127320612 /nfs/dbraw/zinc/32/06/12/1127320612.db2.gz WCULWCLTONPNIN-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCC[C@@H](n2ccnc2)C1 ZINC000591869064 1127324630 /nfs/dbraw/zinc/32/46/30/1127324630.db2.gz HVXFAGZVROEWFR-GXTWGEPZSA-N 0 1 291.345 3.559 20 0 CHADMN CS[C@@H]1CCCCN(Cc2cccc(F)c2F)C1 ZINC000355210795 1127325385 /nfs/dbraw/zinc/32/53/85/1127325385.db2.gz LYAKZGAMCAHVQV-GFCCVEGCSA-N 0 1 271.376 3.682 20 0 CHADMN CC(C)Oc1cc(CN2CCC(C)(C)CC2)cnc1F ZINC001238593347 1131219004 /nfs/dbraw/zinc/21/90/04/1131219004.db2.gz WPFYGZGEOZTEKM-UHFFFAOYSA-N 0 1 280.387 3.630 20 0 CHADMN CCCCC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000355250861 1127328659 /nfs/dbraw/zinc/32/86/59/1127328659.db2.gz HLMKXKRFKMPAKX-UHFFFAOYSA-N 0 1 271.364 3.959 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](CO)CC2CCCCC2)c(C)s1 ZINC000669430003 1127330172 /nfs/dbraw/zinc/33/01/72/1127330172.db2.gz DSUOGTPLQZTRPY-XHDPSFHLSA-N 0 1 296.480 3.742 20 0 CHADMN COC[C@H](NCc1scnc1C)c1cccc(Cl)c1 ZINC000288441586 1127340200 /nfs/dbraw/zinc/34/02/00/1127340200.db2.gz CGYMYBDQZIFCBO-ZDUSSCGKSA-N 0 1 296.823 3.582 20 0 CHADMN C[C@H](NCc1ccccc1)c1ccc(Br)cn1 ZINC000355511058 1127346416 /nfs/dbraw/zinc/34/64/16/1127346416.db2.gz IPVOGOAQOCADRG-NSHDSACASA-N 0 1 291.192 3.695 20 0 CHADMN Cc1ccc(CNc2ccc(CN(C)C)c(Cl)c2)o1 ZINC000355586212 1127351242 /nfs/dbraw/zinc/35/12/42/1127351242.db2.gz SYFFOJVEDZZPQV-UHFFFAOYSA-N 0 1 278.783 3.915 20 0 CHADMN Cc1cccc2nc(CNC(=O)C3C[C@@H](C)C[C@H](C)C3)[nH]c21 ZINC000355595015 1127352488 /nfs/dbraw/zinc/35/24/88/1127352488.db2.gz FLRUZOLDBZPEHC-RYUDHWBXSA-N 0 1 299.418 3.560 20 0 CHADMN CCN(Cc1ncc(C(C)C)s1)CC1CCC1 ZINC000355600897 1127353849 /nfs/dbraw/zinc/35/38/49/1127353849.db2.gz GGYDJDPRSUVFPC-UHFFFAOYSA-N 0 1 252.427 3.889 20 0 CHADMN CC[N@@H+](CCSC)Cc1ccc(C(F)(F)F)s1 ZINC000592529636 1127353445 /nfs/dbraw/zinc/35/34/45/1127353445.db2.gz NGGPQAYGSXHMIG-UHFFFAOYSA-N 0 1 283.384 3.952 20 0 CHADMN Cc1ccncc1CN(C)Cc1ccc(OC(C)C)cc1 ZINC000355601682 1127354046 /nfs/dbraw/zinc/35/40/46/1127354046.db2.gz TUMQZRKDLDTREE-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1coc2ccccc12 ZINC000355618432 1127354674 /nfs/dbraw/zinc/35/46/74/1127354674.db2.gz LPQTXTQGXQRCPL-UHFFFAOYSA-N 0 1 291.257 3.654 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cc2ccn(C(F)F)n2)C1 ZINC000355655244 1127356032 /nfs/dbraw/zinc/35/60/32/1127356032.db2.gz HPWDVORRTNZHHC-LLVKDONJSA-N 0 1 271.355 3.536 20 0 CHADMN COCC[C@@H]1CCCCN(c2ccnc(C)c2Cl)C1 ZINC000355676725 1127358110 /nfs/dbraw/zinc/35/81/10/1127358110.db2.gz COHHOZUWCVHMMU-ZDUSSCGKSA-N 0 1 282.815 3.686 20 0 CHADMN CCN(Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC(C)C ZINC000355756243 1127362042 /nfs/dbraw/zinc/36/20/42/1127362042.db2.gz HXAQXMDGLXCVAR-CYBMUJFWSA-N 0 1 287.407 3.592 20 0 CHADMN CCN(CC)[C@@H](c1nc(-c2ccoc2)no1)c1ccccc1 ZINC000288938429 1127368200 /nfs/dbraw/zinc/36/82/00/1127368200.db2.gz AUDYHCINDMHRDV-OAHLLOKOSA-N 0 1 297.358 3.761 20 0 CHADMN c1ccc(-c2noc(CN3CCC4(CCCC4)CC3)n2)cc1 ZINC000574082566 1127369964 /nfs/dbraw/zinc/36/99/64/1127369964.db2.gz VYYORSYXPRGHSJ-UHFFFAOYSA-N 0 1 297.402 3.893 20 0 CHADMN C[C@H](O)c1ncc(CN2CCC[C@@H]2c2ccccc2)s1 ZINC000289017449 1127370203 /nfs/dbraw/zinc/37/02/03/1127370203.db2.gz FZECTDBIUVKDLE-SWLSCSKDSA-N 0 1 288.416 3.534 20 0 CHADMN C[C@@H]1CC=CC[C@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000289013464 1127370381 /nfs/dbraw/zinc/37/03/81/1127370381.db2.gz KLKSVPIPHNDFCH-ZYHUDNBSSA-N 0 1 280.331 3.683 20 0 CHADMN CC[C@H](NCc1nc(C)c(C)[nH]1)c1ccc(C)cc1 ZINC000574173950 1127371774 /nfs/dbraw/zinc/37/17/74/1127371774.db2.gz SZGZIIOVZZBSPD-HNNXBMFYSA-N 0 1 257.381 3.576 20 0 CHADMN CC[C@@H]1CCCN1Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356086050 1127374200 /nfs/dbraw/zinc/37/42/00/1127374200.db2.gz MQVYEORPVNAQEP-GFCCVEGCSA-N 0 1 273.298 3.785 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2c(C)cnn2C)o1 ZINC000289198621 1127376412 /nfs/dbraw/zinc/37/64/12/1127376412.db2.gz HLHJJGGNXRHBIF-WFASDCNBSA-N 0 1 287.407 3.603 20 0 CHADMN Cc1cc(CN[C@@H](C)c2nc(-c3ccccc3)cs2)n[nH]1 ZINC000593322671 1127383050 /nfs/dbraw/zinc/38/30/50/1127383050.db2.gz FSJLHFIFKAHXFJ-LBPRGKRZSA-N 0 1 298.415 3.692 20 0 CHADMN Cc1ccc(C=Cc2nc(-c3ccc4[nH]cnc4c3)no2)o1 ZINC000356968430 1127385752 /nfs/dbraw/zinc/38/57/52/1127385752.db2.gz WWPHWMMAICQVEB-ALCCZGGFSA-N 0 1 292.298 3.685 20 0 CHADMN Cc1ccc(-c2ncc(CN3CCCSCC3)s2)o1 ZINC000357231404 1127388295 /nfs/dbraw/zinc/38/82/95/1127388295.db2.gz LBXQGJYZDQANRI-UHFFFAOYSA-N 0 1 294.445 3.650 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2cc(OC)cnc2F)C1 ZINC001308618778 1127395535 /nfs/dbraw/zinc/39/55/35/1127395535.db2.gz HRWHNLPWRYGHLH-MRXNPFEDSA-N 0 1 280.387 3.632 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2ccoc2C)c1 ZINC000358028640 1127397859 /nfs/dbraw/zinc/39/78/59/1127397859.db2.gz XMHIBQVVEDVGOW-GFCCVEGCSA-N 0 1 259.349 3.838 20 0 CHADMN COC[C@H](CC(C)C)NCc1coc(-c2cccs2)n1 ZINC000358086056 1127401981 /nfs/dbraw/zinc/40/19/81/1127401981.db2.gz VYGOWXNQJQJIMW-LBPRGKRZSA-N 0 1 294.420 3.554 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@H](CO)c1cccc(F)c1 ZINC000358153573 1127404990 /nfs/dbraw/zinc/40/49/90/1127404990.db2.gz JCIFPPMQAPPVRD-SMDDNHRTSA-N 0 1 279.380 3.580 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H](C)c2ccc(F)cc2Cl)n[nH]1 ZINC000358253968 1127411390 /nfs/dbraw/zinc/41/13/90/1127411390.db2.gz XZHZKGFEMAOATD-DTWKUNHWSA-N 0 1 296.777 3.571 20 0 CHADMN CO[C@@H](CN[C@H](C)c1csc(C)n1)c1ccc(F)cc1 ZINC000358187578 1127407173 /nfs/dbraw/zinc/40/71/73/1127407173.db2.gz KDYNACLKLAIURS-BMIGLBTASA-N 0 1 294.395 3.629 20 0 CHADMN FC(F)Oc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000761044125 1127408330 /nfs/dbraw/zinc/40/83/30/1127408330.db2.gz IELJCKTWUHOVGL-JTQLQIEISA-N 0 1 295.251 3.672 20 0 CHADMN FC(F)Oc1cccc(CN2CC[C@H](C(F)(F)F)C2)c1 ZINC000761044125 1127408333 /nfs/dbraw/zinc/40/83/33/1127408333.db2.gz IELJCKTWUHOVGL-JTQLQIEISA-N 0 1 295.251 3.672 20 0 CHADMN FC(F)(F)[C@@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC000761045815 1127408480 /nfs/dbraw/zinc/40/84/80/1127408480.db2.gz HRBYBYPUINQAQN-SNVBAGLBSA-N 0 1 263.690 3.724 20 0 CHADMN CC[C@@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1cccs1 ZINC000358231707 1127409720 /nfs/dbraw/zinc/40/97/20/1127409720.db2.gz AKGKKJAPCSWKKG-WDEREUQCSA-N 0 1 278.425 3.792 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N1CCC[C@]2(CC=CCC2)C1 ZINC000358238884 1127410267 /nfs/dbraw/zinc/41/02/67/1127410267.db2.gz IJZHSILHHSOQQW-GOSISDBHSA-N 0 1 295.386 3.525 20 0 CHADMN CC(C)c1nnc(CN[C@@H](C)CCc2ccccc2)s1 ZINC000358287969 1127412868 /nfs/dbraw/zinc/41/28/68/1127412868.db2.gz MYRMFUQPSXNDHH-ZDUSSCGKSA-N 0 1 289.448 3.772 20 0 CHADMN CCc1nc([C@H](C)SCc2cc(C)ccc2OC)n[nH]1 ZINC000594892300 1127432726 /nfs/dbraw/zinc/43/27/26/1127432726.db2.gz SJSSPGZMTCKNKW-NSHDSACASA-N 0 1 291.420 3.679 20 0 CHADMN Cc1ccccc1C[C@@H]1CCCN1Cc1nnc(C(C)C)o1 ZINC000358966430 1127441604 /nfs/dbraw/zinc/44/16/04/1127441604.db2.gz MQYIYWPLCHWNOV-INIZCTEOSA-N 0 1 299.418 3.709 20 0 CHADMN C[C@H](NCc1cnc(C2CCC2)s1)c1cncc(F)c1 ZINC000358993639 1127443079 /nfs/dbraw/zinc/44/30/79/1127443079.db2.gz PMTFTGFJLNECMI-JTQLQIEISA-N 0 1 291.395 3.796 20 0 CHADMN C[C@H](NCc1ccc2ncccc2c1)c1cncs1 ZINC000359031975 1127445658 /nfs/dbraw/zinc/44/56/58/1127445658.db2.gz QWCAAUGONXNXOF-NSHDSACASA-N 0 1 269.373 3.542 20 0 CHADMN C[C@@H]1CC[C@@H](CN[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000359075490 1127448407 /nfs/dbraw/zinc/44/84/07/1127448407.db2.gz STDIUGHEZWCNMC-FMKPAKJESA-N 0 1 269.392 3.525 20 0 CHADMN c1ncc(CN[C@H](Cc2ccccn2)c2ccccc2)s1 ZINC000359130170 1127450283 /nfs/dbraw/zinc/45/02/83/1127450283.db2.gz RUJCVGQWWPSNQS-QGZVFWFLSA-N 0 1 295.411 3.612 20 0 CHADMN CC(C)c1cnc(CNC[C@H](C)C(F)(F)F)s1 ZINC000359121910 1127450596 /nfs/dbraw/zinc/45/05/96/1127450596.db2.gz FMPLIFRXLPZVSV-QMMMGPOBSA-N 0 1 266.332 3.555 20 0 CHADMN COC(=O)c1ccc(CN([C@@H](C)c2ccccc2)C2CC2)[nH]1 ZINC000359270470 1127455982 /nfs/dbraw/zinc/45/59/82/1127455982.db2.gz XDTVWLUHMCRUHO-ZDUSSCGKSA-N 0 1 298.386 3.527 20 0 CHADMN CC[C@@H]1C[N@H+](Cc2ncccc2[O-])CC[C@@H]1c1ccccc1 ZINC000575026798 1127460695 /nfs/dbraw/zinc/46/06/95/1127460695.db2.gz AICVVDFPBWAWIH-WBVHZDCISA-N 0 1 296.414 3.803 20 0 CHADMN CC[C@@H]1C[N@@H+](Cc2ncccc2[O-])CC[C@@H]1c1ccccc1 ZINC000575026798 1127460698 /nfs/dbraw/zinc/46/06/98/1127460698.db2.gz AICVVDFPBWAWIH-WBVHZDCISA-N 0 1 296.414 3.803 20 0 CHADMN Cc1nc(C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)c(C)s1 ZINC000359570102 1127468936 /nfs/dbraw/zinc/46/89/36/1127468936.db2.gz ZINSBAXCSSJOIZ-XHDPSFHLSA-N 0 1 264.438 3.772 20 0 CHADMN CCN(CCCCC(F)(F)F)[C@H](C)C(=O)OC(C)(C)C ZINC000595607140 1127470101 /nfs/dbraw/zinc/47/01/01/1127470101.db2.gz UBDMCGRCLYHPFT-LLVKDONJSA-N 0 1 297.361 3.771 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccccc1)c1ccc(Cl)cn1 ZINC000359634314 1127470671 /nfs/dbraw/zinc/47/06/71/1127470671.db2.gz NEDAQJARLCJFKN-LRDDRELGSA-N 0 1 290.794 3.509 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H](N[C@H]1CCCCC1(F)F)C2 ZINC001168408364 1127478289 /nfs/dbraw/zinc/47/82/89/1127478289.db2.gz VWUFFPACYAZPLT-CABCVRRESA-N 0 1 283.337 3.851 20 0 CHADMN CCOC(=O)c1oc2ccccc2c1CN1CC2CC1(C)C2 ZINC000595915071 1127479437 /nfs/dbraw/zinc/47/94/37/1127479437.db2.gz IMFPAHPZDAFKOH-UHFFFAOYSA-N 0 1 299.370 3.594 20 0 CHADMN CCC[C@@](C)(CC)C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000359844352 1127480437 /nfs/dbraw/zinc/48/04/37/1127480437.db2.gz NFWLSPPSGDRTBR-OAHLLOKOSA-N 0 1 290.367 3.528 20 0 CHADMN CC(C)Oc1c(CN2CCC[C@H]3C[C@H]32)ccc(F)c1F ZINC001238747518 1131239630 /nfs/dbraw/zinc/23/96/30/1131239630.db2.gz NUQYMFRUMGWPDS-SMDDNHRTSA-N 0 1 281.346 3.736 20 0 CHADMN COc1c(C)cc(C[N@@H+](C)Cc2ccc(C)nc2C)cc1C ZINC000360053489 1127487695 /nfs/dbraw/zinc/48/76/95/1127487695.db2.gz KWCIRVAHIYFKGO-UHFFFAOYSA-N 0 1 298.430 3.956 20 0 CHADMN COc1c(C)cc(CN(C)Cc2ccc(C)nc2C)cc1C ZINC000360053489 1127487697 /nfs/dbraw/zinc/48/76/97/1127487697.db2.gz KWCIRVAHIYFKGO-UHFFFAOYSA-N 0 1 298.430 3.956 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cccc2c1CCC2 ZINC000360412544 1127498061 /nfs/dbraw/zinc/49/80/61/1127498061.db2.gz GZPOSDQEJQTICG-UHFFFAOYSA-N 0 1 291.354 3.612 20 0 CHADMN CCCC1(C(=O)Nc2cc3cn[nH]c3cc2C)CCC1 ZINC000360432808 1127498617 /nfs/dbraw/zinc/49/86/17/1127498617.db2.gz ARBQDGBMRSBENZ-UHFFFAOYSA-N 0 1 271.364 3.780 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccccc1Cl ZINC000360434420 1127498731 /nfs/dbraw/zinc/49/87/31/1127498731.db2.gz XFYCGRMFOOTEOW-UHFFFAOYSA-N 0 1 285.734 3.777 20 0 CHADMN CCc1oc(C(=O)Nc2cc3cn[nH]c3cc2C)cc1C ZINC000360428088 1127498765 /nfs/dbraw/zinc/49/87/65/1127498765.db2.gz MHGFSLMPAWUBMU-UHFFFAOYSA-N 0 1 283.331 3.587 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000360426519 1127498780 /nfs/dbraw/zinc/49/87/80/1127498780.db2.gz FTEYBKHSMQJUBJ-CMPLNLGQSA-N 0 1 271.364 3.636 20 0 CHADMN CC(C)c1nc(CN2CCCC[C@H](C)C2)cs1 ZINC000360629179 1127503620 /nfs/dbraw/zinc/50/36/20/1127503620.db2.gz LVKSQEAEZDBWHT-LBPRGKRZSA-N 0 1 252.427 3.889 20 0 CHADMN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000360690513 1127506069 /nfs/dbraw/zinc/50/60/69/1127506069.db2.gz RZCYHLOYYYVLRW-AAEUAGOBSA-N 0 1 289.423 3.574 20 0 CHADMN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc2c[nH]nc21 ZINC000360691859 1127506228 /nfs/dbraw/zinc/50/62/28/1127506228.db2.gz XXOWJBBBTWNCLL-OCCSQVGLSA-N 0 1 299.418 3.850 20 0 CHADMN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc2cncn2c1 ZINC000360686845 1127506362 /nfs/dbraw/zinc/50/63/62/1127506362.db2.gz BKMIJZWKEKVLKI-UKRRQHHQSA-N 0 1 299.418 3.621 20 0 CHADMN C[C@@H](c1cccnc1)N1Cc2ccccc2C2(CC2)C1 ZINC000360699983 1127506639 /nfs/dbraw/zinc/50/66/39/1127506639.db2.gz APNDCRLXWVHMCF-AWEZNQCLSA-N 0 1 264.372 3.690 20 0 CHADMN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC000360705489 1127506779 /nfs/dbraw/zinc/50/67/79/1127506779.db2.gz QDBIASGQJNHRAI-DGCLKSJQSA-N 0 1 289.423 3.574 20 0 CHADMN C[C@H]1CN(C)CCN1Cc1ccccc1Oc1ccccc1 ZINC000596604735 1127510625 /nfs/dbraw/zinc/51/06/25/1127510625.db2.gz JNLJRADDBOCIFF-INIZCTEOSA-N 0 1 296.414 3.615 20 0 CHADMN Cc1nocc1CNCc1cccc(COC(C)(C)C)c1 ZINC000293663330 1127511536 /nfs/dbraw/zinc/51/15/36/1127511536.db2.gz UEEAWNUJLLKBEC-UHFFFAOYSA-N 0 1 288.391 3.588 20 0 CHADMN CCCc1nc(C)c(CN[C@@H](C)c2ccccc2)o1 ZINC000293712099 1127514167 /nfs/dbraw/zinc/51/41/67/1127514167.db2.gz OYUWUUAOPOIHJO-LBPRGKRZSA-N 0 1 258.365 3.786 20 0 CHADMN Cc1nocc1CN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000293668479 1127512008 /nfs/dbraw/zinc/51/20/08/1127512008.db2.gz URBNWQILBVVPSY-OAHLLOKOSA-N 0 1 276.355 3.999 20 0 CHADMN CC1=CC[C@@H](N[C@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000293731611 1127515866 /nfs/dbraw/zinc/51/58/66/1127515866.db2.gz WIMIDDDJXFJEEJ-UKRRQHHQSA-N 0 1 283.375 3.886 20 0 CHADMN CCOc1ccc(C2=CCN(Cc3conc3C)CC2)cc1 ZINC000293748517 1127517213 /nfs/dbraw/zinc/51/72/13/1127517213.db2.gz XVABIGIXRYYPGX-UHFFFAOYSA-N 0 1 298.386 3.671 20 0 CHADMN Cc1ccoc1CN[C@H]1CSCCc2ccccc21 ZINC000293839423 1127524696 /nfs/dbraw/zinc/52/46/96/1127524696.db2.gz WWUAAKBRQJKOSK-HNNXBMFYSA-N 0 1 273.401 3.708 20 0 CHADMN C[C@@H](CSCCF)N[C@@H](CF)c1ccc(F)cc1 ZINC000601319058 1127521411 /nfs/dbraw/zinc/52/14/11/1127521411.db2.gz VSIVDYJOXXLJBV-GWCFXTLKSA-N 0 1 277.355 3.517 20 0 CHADMN Cc1nc([C@H](C)NCCc2cc(F)ccc2F)cs1 ZINC000361007947 1127528766 /nfs/dbraw/zinc/52/87/66/1127528766.db2.gz CFQYPOSCECFEAQ-VIFPVBQESA-N 0 1 282.359 3.623 20 0 CHADMN COCCC[C@H](NCc1occc1C)c1ccc(F)cc1 ZINC000293886004 1127529900 /nfs/dbraw/zinc/52/99/00/1127529900.db2.gz YYOUBFFUDJAJTA-INIZCTEOSA-N 0 1 291.366 3.985 20 0 CHADMN COCCC[C@@H](NCc1occc1C)c1ccc(F)cc1 ZINC000293886008 1127529963 /nfs/dbraw/zinc/52/99/63/1127529963.db2.gz YYOUBFFUDJAJTA-MRXNPFEDSA-N 0 1 291.366 3.985 20 0 CHADMN CCC[C@H](NCc1snnc1C)c1ccsc1 ZINC000293842782 1127525539 /nfs/dbraw/zinc/52/55/39/1127525539.db2.gz WZGLQAKRQYYOQQ-NSHDSACASA-N 0 1 267.423 3.539 20 0 CHADMN Cc1ccncc1CCCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000293856984 1127526099 /nfs/dbraw/zinc/52/60/99/1127526099.db2.gz IANXJFDRYPRHAK-GOSISDBHSA-N 0 1 295.430 3.801 20 0 CHADMN C[C@@H]1CCCCN(Cc2ncccc2C(F)(F)F)C1 ZINC000361039308 1127532576 /nfs/dbraw/zinc/53/25/76/1127532576.db2.gz XPYHYBMYGSPPIF-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN CC[C@@]1(C)COCCN1Cc1cc(C)c2ncccc2c1 ZINC000361155016 1127542839 /nfs/dbraw/zinc/54/28/39/1127542839.db2.gz OJZJVYAXSNOSEW-SFHVURJKSA-N 0 1 284.403 3.544 20 0 CHADMN C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1cccc(O)c1 ZINC000361144653 1127542274 /nfs/dbraw/zinc/54/22/74/1127542274.db2.gz ZCDIAIYTITXBMT-ZWNOBZJWSA-N 0 1 273.298 3.555 20 0 CHADMN C[C@H](Nc1cc2c(cn1)CCCC2)c1cncc(F)c1 ZINC000361175061 1127544229 /nfs/dbraw/zinc/54/42/29/1127544229.db2.gz CHFYDDOBKROMNT-NSHDSACASA-N 0 1 271.339 3.668 20 0 CHADMN CCc1ccc(CN(C)Cc2cn(C)nc2C(F)F)cc1 ZINC000361178151 1127544835 /nfs/dbraw/zinc/54/48/35/1127544835.db2.gz KYQGZHLQPAAJMX-UHFFFAOYSA-N 0 1 293.361 3.552 20 0 CHADMN COc1cc(Cl)ccc1CN1CCCC2(CC2)C1 ZINC000361327477 1127556855 /nfs/dbraw/zinc/55/68/55/1127556855.db2.gz XNUMYTZPUDHZMG-UHFFFAOYSA-N 0 1 265.784 3.725 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1ccccc1CCC(C)C ZINC000602121099 1127560456 /nfs/dbraw/zinc/56/04/56/1127560456.db2.gz UWZXLKNEAQICJC-UHFFFAOYSA-N 0 1 271.364 3.559 20 0 CHADMN Oc1ccc2c(c1)CN([C@@H]1CCc3ccc(F)cc31)CC2 ZINC000361399333 1127561802 /nfs/dbraw/zinc/56/18/02/1127561802.db2.gz DJDYCEMAXKKEQM-GOSISDBHSA-N 0 1 283.346 3.577 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1nccn1-c1ccccc1 ZINC000361493283 1127567192 /nfs/dbraw/zinc/56/71/92/1127567192.db2.gz RDDOYJMDWWLOCV-GJZGRUSLSA-N 0 1 269.392 3.635 20 0 CHADMN c1ccc(-c2nc(CN(CC3CC3)CC3CCC3)no2)cc1 ZINC000361554757 1127572001 /nfs/dbraw/zinc/57/20/01/1127572001.db2.gz VFSWRHPRJVRQLO-UHFFFAOYSA-N 0 1 297.402 3.749 20 0 CHADMN CC[C@H](C)CN(CC)Cc1nccn1-c1ccccc1 ZINC000361578277 1127573296 /nfs/dbraw/zinc/57/32/96/1127573296.db2.gz OLFDRBOWQNRYQK-HNNXBMFYSA-N 0 1 271.408 3.740 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CC[C@@H](n2cccn2)C1 ZINC000361577979 1127573468 /nfs/dbraw/zinc/57/34/68/1127573468.db2.gz PAPXENVYLLIUAH-CJNGLKHVSA-N 0 1 291.345 3.559 20 0 CHADMN CCOc1nnc(CN[C@H]2CCCCC23CCCC3)s1 ZINC000361578188 1127573649 /nfs/dbraw/zinc/57/36/49/1127573649.db2.gz QDODXOUFIRZZJW-LBPRGKRZSA-N 0 1 295.452 3.529 20 0 CHADMN Cc1oncc1CN(C)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000361590322 1127574445 /nfs/dbraw/zinc/57/44/45/1127574445.db2.gz JGRUVHSZYRFUMU-NWDGAFQWSA-N 0 1 276.302 3.536 20 0 CHADMN CCc1nc(C(C)C)ccc1CN[C@@H](CO)c1ccccc1 ZINC000294480536 1127577501 /nfs/dbraw/zinc/57/75/01/1127577501.db2.gz HHKYMCPWDLKGHP-IBGZPJMESA-N 0 1 298.430 3.591 20 0 CHADMN C[C@@H]1CCSCCN1Cc1cc(Cl)cc2c1OCC2 ZINC000361635965 1127577964 /nfs/dbraw/zinc/57/79/64/1127577964.db2.gz GXACKIFEWAFQPH-LLVKDONJSA-N 0 1 297.851 3.602 20 0 CHADMN C[C@H]1CCSCCN1Cc1ccc(F)cc1Cl ZINC000361637644 1127577989 /nfs/dbraw/zinc/57/79/89/1127577989.db2.gz KWGAMWDAZLVQEM-JTQLQIEISA-N 0 1 273.804 3.807 20 0 CHADMN C[C@H]1CCC[C@H](N(C)Cc2csc(N(C)C3CC3)n2)C1 ZINC000361640770 1127578384 /nfs/dbraw/zinc/57/83/84/1127578384.db2.gz VPHMMMZRFCBCPC-WFASDCNBSA-N 0 1 293.480 3.752 20 0 CHADMN C[C@H]1CCc2nc(CN3CCSCC[C@@H]3C)sc2C1 ZINC000361647648 1127579154 /nfs/dbraw/zinc/57/91/54/1127579154.db2.gz ZJVNKNNTLZQZGC-RYUDHWBXSA-N 0 1 296.505 3.595 20 0 CHADMN Cc1cc(Br)cnc1CN1CCCC[C@@H](C)C1 ZINC001232044732 1127582438 /nfs/dbraw/zinc/58/24/38/1127582438.db2.gz LHUWEAIVIJHVGU-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(C)ns2)C1 ZINC000602481574 1127583714 /nfs/dbraw/zinc/58/37/14/1127583714.db2.gz GMTJZFNIHLWWTE-NEPJUHHUSA-N 0 1 270.467 3.558 20 0 CHADMN Cc1cnccc1CN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000294633500 1127588788 /nfs/dbraw/zinc/58/87/88/1127588788.db2.gz ANWSJTGIFTWESM-IBGZPJMESA-N 0 1 296.414 3.571 20 0 CHADMN Cc1ccc2c(c1)CCN([C@H](C)c1ccccn1)C2 ZINC000361847000 1127594166 /nfs/dbraw/zinc/59/41/66/1127594166.db2.gz AGTHROUHSAFCTN-CQSZACIVSA-N 0 1 252.361 3.509 20 0 CHADMN Cc1nn(C(C)C)cc1CNC1(c2ccc(F)cc2)CC1 ZINC000361892909 1127597316 /nfs/dbraw/zinc/59/73/16/1127597316.db2.gz HQGGQBIYXKCYLU-UHFFFAOYSA-N 0 1 287.382 3.690 20 0 CHADMN CCC1(NCc2csc(-c3ccsc3)n2)CC1 ZINC000294727296 1127594619 /nfs/dbraw/zinc/59/46/19/1127594619.db2.gz FYOXMCGBKLVTAW-UHFFFAOYSA-N 0 1 264.419 3.904 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnn(CC)c1)c1ccccc1F ZINC000294744483 1127595237 /nfs/dbraw/zinc/59/52/37/1127595237.db2.gz CPHARCMLTXWHEO-BLLLJJGKSA-N 0 1 275.371 3.844 20 0 CHADMN COc1ccsc1CN1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000294732043 1127595430 /nfs/dbraw/zinc/59/54/30/1127595430.db2.gz DIKJEKOFXLZAEM-UWVGGRQHSA-N 0 1 293.354 3.920 20 0 CHADMN CCO[C@H]1CCCN([C@@H](C)c2cc(F)ccc2F)C1 ZINC000602578873 1127595616 /nfs/dbraw/zinc/59/56/16/1127595616.db2.gz MYFDEYNUUXDWDF-AAEUAGOBSA-N 0 1 269.335 3.527 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccccc1)c1cc(F)cc(F)c1 ZINC000361893338 1127597950 /nfs/dbraw/zinc/59/79/50/1127597950.db2.gz QIUAUGCSUCGOAI-SJCJKPOMSA-N 0 1 291.341 3.739 20 0 CHADMN C[C@H](NCc1ccc(F)cn1)c1cccc(C2CC2)c1 ZINC000294764699 1127598052 /nfs/dbraw/zinc/59/80/52/1127598052.db2.gz MTBGTMAGKLDGGQ-LBPRGKRZSA-N 0 1 270.351 3.949 20 0 CHADMN CC(C)c1nc(CNCc2c(Cl)cccc2Cl)n[nH]1 ZINC000294788891 1127599095 /nfs/dbraw/zinc/59/90/95/1127599095.db2.gz LSIWVAAHLZEHDL-UHFFFAOYSA-N 0 1 299.205 3.525 20 0 CHADMN COc1cc(CCN[C@@H](C)c2cc(C)on2)ccc1Cl ZINC000294890474 1127605916 /nfs/dbraw/zinc/60/59/16/1127605916.db2.gz DYHVMRYXNJXJQX-NSHDSACASA-N 0 1 294.782 3.538 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)[nH]1 ZINC000294861400 1127604338 /nfs/dbraw/zinc/60/43/38/1127604338.db2.gz SQAYQYYKJDKQKV-DZGCQCFKSA-N 0 1 297.402 3.522 20 0 CHADMN CCn1cc([C@@H](C)NCc2cc3cc(OC)ccc3o2)cn1 ZINC000294917607 1127608341 /nfs/dbraw/zinc/60/83/41/1127608341.db2.gz SUYNDPGWTMWIID-GFCCVEGCSA-N 0 1 299.374 3.509 20 0 CHADMN CCn1cc([C@@H](C)NCc2ccc(Cl)cc2C)cn1 ZINC000294945725 1127609992 /nfs/dbraw/zinc/60/99/92/1127609992.db2.gz VPSYNEVPPFXGDM-GFCCVEGCSA-N 0 1 277.799 3.716 20 0 CHADMN CC(C)CCC[C@H](C)NCc1ncc(C(F)(F)F)cn1 ZINC000294954493 1127610351 /nfs/dbraw/zinc/61/03/51/1127610351.db2.gz HWVOUJHJYWLLAC-NSHDSACASA-N 0 1 289.345 3.800 20 0 CHADMN CC1(C)CCC[C@H](NCc2ncc(C(F)(F)F)cn2)C1 ZINC000295053202 1127616945 /nfs/dbraw/zinc/61/69/45/1127616945.db2.gz PUEOTIHJRDHZDS-NSHDSACASA-N 0 1 287.329 3.554 20 0 CHADMN CCn1cc([C@H](C)NCc2cnc(C(C)(C)C)s2)cn1 ZINC000294999341 1127613576 /nfs/dbraw/zinc/61/35/76/1127613576.db2.gz ZSZIXSPKVQYZBU-NSHDSACASA-N 0 1 292.452 3.508 20 0 CHADMN CC(=O)c1cccc(CN2CCS[C@H]3CCCC[C@H]32)c1 ZINC000295075266 1127618734 /nfs/dbraw/zinc/61/87/34/1127618734.db2.gz QOSZRRFSDUIEEV-SJORKVTESA-N 0 1 289.444 3.749 20 0 CHADMN COc1cc(Cl)ccc1CN1CCC(SC)CC1 ZINC000602921622 1127622128 /nfs/dbraw/zinc/62/21/28/1127622128.db2.gz VMUNAGXFNQRTKE-UHFFFAOYSA-N 0 1 285.840 3.676 20 0 CHADMN COCCN(Cc1ccncc1Cl)C[C@H]1CC=CCC1 ZINC000362255549 1127622602 /nfs/dbraw/zinc/62/26/02/1127622602.db2.gz XWJNEUZQHXDAKR-AWEZNQCLSA-N 0 1 294.826 3.540 20 0 CHADMN Cc1cc(CNCc2ccnc(C(F)(F)F)c2)cs1 ZINC000295138995 1127622739 /nfs/dbraw/zinc/62/27/39/1127622739.db2.gz ZFVIGWURJOVDKX-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CCC(C)(C)C(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000362245846 1127622889 /nfs/dbraw/zinc/62/28/89/1127622889.db2.gz VGUQAMUIJSGYSF-UHFFFAOYSA-N 0 1 298.346 3.593 20 0 CHADMN CCC1(CC)CN(Cc2nc(C)cs2)CCS1 ZINC000362253197 1127623053 /nfs/dbraw/zinc/62/30/53/1127623053.db2.gz WNTJEYOYERZTQB-UHFFFAOYSA-N 0 1 270.467 3.559 20 0 CHADMN COc1ccnc(Cl)c1CN1CCC[C@@H](C)[C@H](C)C1 ZINC001232152854 1127625608 /nfs/dbraw/zinc/62/56/08/1127625608.db2.gz UJOUHKYGCOCLEL-VXGBXAGGSA-N 0 1 282.815 3.612 20 0 CHADMN Cc1oc(-c2ccccc2)nc1CN1CCC(CF)CC1 ZINC000295184788 1127626032 /nfs/dbraw/zinc/62/60/32/1127626032.db2.gz SGMBOJZMUMYHJG-UHFFFAOYSA-N 0 1 288.366 3.832 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H]1CCCc2cc(OC)ccc21 ZINC000295239440 1127629165 /nfs/dbraw/zinc/62/91/65/1127629165.db2.gz OXJCKQQFANQKGA-GUYCJALGSA-N 0 1 299.418 3.640 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@H](C)n3ccnc31)[C@H](C)C2 ZINC000295231020 1127629242 /nfs/dbraw/zinc/62/92/42/1127629242.db2.gz NYDHZUCUBOSVBX-DLTLXFJOSA-N 0 1 281.403 3.720 20 0 CHADMN CC(=O)c1cccc(CN2CCC=C(c3ccco3)C2)c1 ZINC000295278685 1127631430 /nfs/dbraw/zinc/63/14/30/1127631430.db2.gz KJAGJVDLGIAXQT-UHFFFAOYSA-N 0 1 281.355 3.772 20 0 CHADMN CC[C@]1(C)CCCN(Cc2cn3c(cccc3C)n2)C1 ZINC000362385036 1127631816 /nfs/dbraw/zinc/63/18/16/1127631816.db2.gz QLDMJICJXIOVMD-QGZVFWFLSA-N 0 1 271.408 3.655 20 0 CHADMN Cc1nocc1CN1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000295396447 1127640522 /nfs/dbraw/zinc/64/05/22/1127640522.db2.gz QIMBBKIEPMGHII-ZBEGNZNMSA-N 0 1 274.339 3.705 20 0 CHADMN Fc1cc(Cl)cc(C[N@H+]2CCC3(CCC3)C2)c1 ZINC000362523384 1127642557 /nfs/dbraw/zinc/64/25/57/1127642557.db2.gz DQQKNDACNNOZMO-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN Fc1cc(Cl)cc(CN2CCC3(CCC3)C2)c1 ZINC000362523384 1127642560 /nfs/dbraw/zinc/64/25/60/1127642560.db2.gz DQQKNDACNNOZMO-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN CC(=O)c1ccc(CN2CCC=C(c3ccco3)C2)cc1 ZINC000295418221 1127642657 /nfs/dbraw/zinc/64/26/57/1127642657.db2.gz XVPOMZLNCFRYQD-UHFFFAOYSA-N 0 1 281.355 3.772 20 0 CHADMN C[C@@H](N[C@H](C)c1cnccn1)c1cccc(C2CC2)c1 ZINC000295417330 1127642857 /nfs/dbraw/zinc/64/28/57/1127642857.db2.gz NEVUZYLSDGTJBV-CHWSQXEVSA-N 0 1 267.376 3.766 20 0 CHADMN Cc1cccc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1F ZINC000295598876 1127647395 /nfs/dbraw/zinc/64/73/95/1127647395.db2.gz CPWRWYOVAMCHFI-OCCSQVGLSA-N 0 1 269.310 3.611 20 0 CHADMN COc1cccc(CN[C@@H]2CCc3c2cccc3C)c1F ZINC000669681562 1127649203 /nfs/dbraw/zinc/64/92/03/1127649203.db2.gz GBWIDGXOCXIZCI-MRXNPFEDSA-N 0 1 285.362 3.920 20 0 CHADMN CSCc1cccc(CNCc2ccncc2Cl)c1 ZINC000598978935 1127649429 /nfs/dbraw/zinc/64/94/29/1127649429.db2.gz XOZJHBGBUXJMFY-UHFFFAOYSA-N 0 1 292.835 3.888 20 0 CHADMN CCC(F)(F)CN[C@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000598996413 1127650797 /nfs/dbraw/zinc/65/07/97/1127650797.db2.gz IYOXCDWPEURHCN-OLZOCXBDSA-N 0 1 291.382 3.523 20 0 CHADMN CCC(F)(F)CNC1CCC(C(=O)OC(C)(C)C)CC1 ZINC000598996553 1127650808 /nfs/dbraw/zinc/65/08/08/1127650808.db2.gz KFFBZPFAFRZIOG-UHFFFAOYSA-N 0 1 291.382 3.522 20 0 CHADMN COc1cccc(CNCc2coc3ccccc23)c1F ZINC000669682207 1127650906 /nfs/dbraw/zinc/65/09/06/1127650906.db2.gz KCDDILUMBUNJNH-UHFFFAOYSA-N 0 1 285.318 3.870 20 0 CHADMN COc1cccc(CN[C@@H]2CCc3ccc(C)cc32)c1F ZINC000669681760 1127651442 /nfs/dbraw/zinc/65/14/42/1127651442.db2.gz RWZLEZYAWUNLSJ-MRXNPFEDSA-N 0 1 285.362 3.920 20 0 CHADMN CCc1ccc(CN[C@@H]2CCOc3c(OC)cccc32)cc1 ZINC000603518930 1127656522 /nfs/dbraw/zinc/65/65/22/1127656522.db2.gz QQDMZGJFEQUDIS-QGZVFWFLSA-N 0 1 297.398 3.871 20 0 CHADMN C[C@@H]1CCN(Cc2cn3ccsc3n2)[C@H]2CCCC[C@@H]12 ZINC000603555517 1127657850 /nfs/dbraw/zinc/65/78/50/1127657850.db2.gz RNSTXPSAFCKAEY-SNPRPXQTSA-N 0 1 289.448 3.796 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000296057534 1127662269 /nfs/dbraw/zinc/66/22/69/1127662269.db2.gz RNDTXKGMSPJOMF-SUMWQHHRSA-N 0 1 299.418 3.714 20 0 CHADMN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ncccc2Cl)C1 ZINC000599304126 1127666706 /nfs/dbraw/zinc/66/67/06/1127666706.db2.gz WZRAEUJXRKQHJV-RYUDHWBXSA-N 0 1 284.856 3.841 20 0 CHADMN CCS[C@H]1CC[C@H](N(C)Cc2ncccc2Cl)C1 ZINC000599304126 1127666708 /nfs/dbraw/zinc/66/67/08/1127666708.db2.gz WZRAEUJXRKQHJV-RYUDHWBXSA-N 0 1 284.856 3.841 20 0 CHADMN CSC[C@@H]1CCCN1Cc1nc2cc(C)ccc2s1 ZINC000599321147 1127667137 /nfs/dbraw/zinc/66/71/37/1127667137.db2.gz UIWFNHHOCPTEMM-LBPRGKRZSA-N 0 1 292.473 3.932 20 0 CHADMN CC[C@H](NCc1cccnc1N)c1ccc(Cl)cc1 ZINC000296279469 1127667433 /nfs/dbraw/zinc/66/74/33/1127667433.db2.gz KVRUETFIAGUNAK-AWEZNQCLSA-N 0 1 275.783 3.558 20 0 CHADMN CS[C@H]1CCN([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000296455908 1127672463 /nfs/dbraw/zinc/67/24/63/1127672463.db2.gz WUDGZRIYUSDGPQ-OCCSQVGLSA-N 0 1 288.416 3.840 20 0 CHADMN CCn1ccnc1CN[C@H](c1ccc(C)cc1)C1CCC1 ZINC000296596342 1127677701 /nfs/dbraw/zinc/67/77/01/1127677701.db2.gz VHMAPEOUIKRJED-SFHVURJKSA-N 0 1 283.419 3.842 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](CC2CC2)c2ccccc2)nn1C ZINC000669702513 1127679126 /nfs/dbraw/zinc/67/91/26/1127679126.db2.gz KCDYASATYLXXDM-KSSFIOAISA-N 0 1 283.419 3.921 20 0 CHADMN Cc1cc(CN2CCCC[C@@H]2c2ccnn2C)cs1 ZINC000296673009 1127681070 /nfs/dbraw/zinc/68/10/70/1127681070.db2.gz GIJOBEHPIOBFDT-OAHLLOKOSA-N 0 1 275.421 3.517 20 0 CHADMN S=c1ncccn1CN1CCC[C@H](c2ccccc2)CC1 ZINC000171045817 1127679529 /nfs/dbraw/zinc/67/95/29/1127679529.db2.gz GXYDWJBWEMTUSX-INIZCTEOSA-N 0 1 299.443 3.840 20 0 CHADMN C[C@@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1cncc(F)c1 ZINC000296900650 1127685844 /nfs/dbraw/zinc/68/58/44/1127685844.db2.gz VUISOBLYKLGYBD-XHBSWPGZSA-N 0 1 286.350 3.784 20 0 CHADMN COc1cccc([C@@H]2C[C@@H](C)CN2Cc2cncs2)c1 ZINC000363847206 1127686609 /nfs/dbraw/zinc/68/66/09/1127686609.db2.gz MLIJMWYITFLHAE-WBMJQRKESA-N 0 1 288.416 3.735 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@H]1c2ccccc2CC[C@H]1C ZINC000296989816 1127687237 /nfs/dbraw/zinc/68/72/37/1127687237.db2.gz SIIIRBWICMTOLL-JKIFEVAISA-N 0 1 283.419 3.877 20 0 CHADMN CCC[C@@H]1CCC[C@H]1C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000297227721 1127691870 /nfs/dbraw/zinc/69/18/70/1127691870.db2.gz TWTTUQOHDIHKEE-NXEZZACHSA-N 0 1 285.338 3.811 20 0 CHADMN CN(Cc1cscn1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297410623 1127695230 /nfs/dbraw/zinc/69/52/30/1127695230.db2.gz CVTRXZDAPUKRSN-HOTGVXAUSA-N 0 1 272.417 3.911 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H]1CCn2ccnc21)C(C)C ZINC000297495660 1127697963 /nfs/dbraw/zinc/69/79/63/1127697963.db2.gz BRLABNQJRFUKHW-HZPDHXFCSA-N 0 1 269.392 3.623 20 0 CHADMN COc1ccccc1[C@@H](CC(C)C)N[C@H](C)c1cn[nH]c1 ZINC000297581276 1127700639 /nfs/dbraw/zinc/70/06/39/1127700639.db2.gz HEAUSIXDGDHHEM-CZUORRHYSA-N 0 1 287.407 3.856 20 0 CHADMN Cc1cc(CNC(=O)[C@H](CC2CCCCC2)C(C)C)n[nH]1 ZINC000604333012 1127701873 /nfs/dbraw/zinc/70/18/73/1127701873.db2.gz MPLJOUVRVUMGJC-MRXNPFEDSA-N 0 1 291.439 3.577 20 0 CHADMN CC[C@@H](NCc1cn2ccc(C)cc2n1)c1ccsc1 ZINC000297666494 1127703865 /nfs/dbraw/zinc/70/38/65/1127703865.db2.gz KVVZRIMCRKFRRQ-OAHLLOKOSA-N 0 1 285.416 3.945 20 0 CHADMN CC1(C)CN(Cc2ccc(OC(F)F)cc2)C(C)(C)CO1 ZINC000604388189 1127703901 /nfs/dbraw/zinc/70/39/01/1127703901.db2.gz DMUJPEKMBOVPCE-UHFFFAOYSA-N 0 1 299.361 3.677 20 0 CHADMN c1ccc2c(c1)CN(Cc1ccc3c(c1)CCC3)CCO2 ZINC000604384021 1127704337 /nfs/dbraw/zinc/70/43/37/1127704337.db2.gz QQSKSVVOERWEIS-UHFFFAOYSA-N 0 1 279.383 3.570 20 0 CHADMN Fc1ccc([C@@H](N[C@@H]2CCn3ccnc32)C2CCCC2)cc1 ZINC000297689009 1127704566 /nfs/dbraw/zinc/70/45/66/1127704566.db2.gz LUFGRQBHSQGKMQ-SJORKVTESA-N 0 1 299.393 3.988 20 0 CHADMN Cc1noc(C)c1CN1CCS[C@@H](c2ccccc2)C1 ZINC000364557205 1127705075 /nfs/dbraw/zinc/70/50/75/1127705075.db2.gz MDBJDNNIXRCHMJ-MRXNPFEDSA-N 0 1 288.416 3.582 20 0 CHADMN Fc1ccc([C@@H](N[C@H]2CCn3ccnc32)C2CCCC2)cc1 ZINC000297689002 1127705111 /nfs/dbraw/zinc/70/51/11/1127705111.db2.gz LUFGRQBHSQGKMQ-IRXDYDNUSA-N 0 1 299.393 3.988 20 0 CHADMN Nc1cc(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)ccn1 ZINC000297747078 1127706224 /nfs/dbraw/zinc/70/62/24/1127706224.db2.gz CWNJMQMUDNXRKR-OAHLLOKOSA-N 0 1 287.794 3.654 20 0 CHADMN Nc1cc(CN2CCC[C@@H]2c2ccccc2Cl)ccn1 ZINC000297747078 1127706228 /nfs/dbraw/zinc/70/62/28/1127706228.db2.gz CWNJMQMUDNXRKR-OAHLLOKOSA-N 0 1 287.794 3.654 20 0 CHADMN CC(C)[C@@H](C)N(C)Cc1nc(Cl)ccc1Cl ZINC000061630426 1127706980 /nfs/dbraw/zinc/70/69/80/1127706980.db2.gz XJBWTRDZCLCLSB-SECBINFHSA-N 0 1 261.196 3.865 20 0 CHADMN Cc1oncc1C[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000364628153 1127707296 /nfs/dbraw/zinc/70/72/96/1127707296.db2.gz FEVIVUYXOXCVQJ-FVNWOWOISA-N 0 1 268.360 3.661 20 0 CHADMN Cc1oncc1CN1CCC[C@H]1/C=C/c1ccccc1 ZINC000364628153 1127707297 /nfs/dbraw/zinc/70/72/97/1127707297.db2.gz FEVIVUYXOXCVQJ-FVNWOWOISA-N 0 1 268.360 3.661 20 0 CHADMN C[C@H]1C[C@@H](N[C@H]2c3cccc(F)c3CC[C@H]2C)c2nccn21 ZINC000297869319 1127711070 /nfs/dbraw/zinc/71/10/70/1127711070.db2.gz UMMNLPWWFMQSLK-CZAMWMTLSA-N 0 1 299.393 3.941 20 0 CHADMN COc1cccc(C2=CCN(Cc3cncc(C)c3)CC2)c1 ZINC000364784194 1127712540 /nfs/dbraw/zinc/71/25/40/1127712540.db2.gz IIHHUEGRFGTGDK-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN FC(F)(F)c1ccc2nc(SCc3ccon3)[nH]c2c1 ZINC000604694150 1127713600 /nfs/dbraw/zinc/71/36/00/1127713600.db2.gz KNDRTGQFKUQGSE-UHFFFAOYSA-N 0 1 299.277 3.862 20 0 CHADMN CC(C)(NCCOc1cccc(Cl)c1)c1nccs1 ZINC000298046348 1127714273 /nfs/dbraw/zinc/71/42/73/1127714273.db2.gz DKDWJXFFKKZCAX-UHFFFAOYSA-N 0 1 296.823 3.700 20 0 CHADMN CC(C)c1nc(CN2CC(C)(C)[C@H]2c2cccs2)n[nH]1 ZINC000298268524 1127717454 /nfs/dbraw/zinc/71/74/54/1127717454.db2.gz NMJCIDNTSPMWHR-CYBMUJFWSA-N 0 1 290.436 3.573 20 0 CHADMN CC[C@@H]1CCCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000298365109 1127720885 /nfs/dbraw/zinc/72/08/85/1127720885.db2.gz ALBQRTCQCCUMBI-CHWSQXEVSA-N 0 1 285.391 3.518 20 0 CHADMN Clc1cccc(Cl)c1C1(NCCc2cn[nH]c2)CC1 ZINC000298376538 1127721185 /nfs/dbraw/zinc/72/11/85/1127721185.db2.gz KZXVPKUDWVWDFB-UHFFFAOYSA-N 0 1 296.201 3.538 20 0 CHADMN CCc1ccc(CN2CCc3ccc(OC)cc3C2)cc1 ZINC000604997611 1127725207 /nfs/dbraw/zinc/72/52/07/1127725207.db2.gz QZMWXZIKUSAGHS-UHFFFAOYSA-N 0 1 281.399 3.816 20 0 CHADMN CN(Cc1cn2c(n1)CCCC2)[C@H]1CCCc2ccccc21 ZINC000365401687 1127728306 /nfs/dbraw/zinc/72/83/06/1127728306.db2.gz GJPZBWQQGKHTQY-SFHVURJKSA-N 0 1 295.430 3.729 20 0 CHADMN Cc1ncc(CN(C)[C@H](C)c2ccc(F)cc2)s1 ZINC000298746964 1127731227 /nfs/dbraw/zinc/73/12/27/1127731227.db2.gz DNUPSGYOUHJXCX-SNVBAGLBSA-N 0 1 264.369 3.784 20 0 CHADMN Cc1cccc([C@@H]2CCCN2C(=O)c2cc(C3CC3)[nH]n2)c1 ZINC000299032696 1127738618 /nfs/dbraw/zinc/73/86/18/1127738618.db2.gz VEIOUTQVMSUODT-KRWDZBQOSA-N 0 1 295.386 3.573 20 0 CHADMN Cc1ncc(CN2CCC[C@H]2c2cccs2)s1 ZINC000299114463 1127740925 /nfs/dbraw/zinc/74/09/25/1127740925.db2.gz CNJGUJWKRLHGKA-LBPRGKRZSA-N 0 1 264.419 3.850 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2ccnc(C)n2)o1 ZINC000366466785 1127746575 /nfs/dbraw/zinc/74/65/75/1127746575.db2.gz QYAPRFBHTBKCPF-BLLLJJGKSA-N 0 1 285.391 3.660 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccnc(C)n2)o1 ZINC000366466785 1127746578 /nfs/dbraw/zinc/74/65/78/1127746578.db2.gz QYAPRFBHTBKCPF-BLLLJJGKSA-N 0 1 285.391 3.660 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2ccnc(C)n2)o1 ZINC000366466786 1127746392 /nfs/dbraw/zinc/74/63/92/1127746392.db2.gz QYAPRFBHTBKCPF-LRDDRELGSA-N 0 1 285.391 3.660 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccnc(C)n2)o1 ZINC000366466786 1127746394 /nfs/dbraw/zinc/74/63/94/1127746394.db2.gz QYAPRFBHTBKCPF-LRDDRELGSA-N 0 1 285.391 3.660 20 0 CHADMN Cc1oncc1C[N@@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000366887297 1127749081 /nfs/dbraw/zinc/74/90/81/1127749081.db2.gz SHEWOMLFJQOYNO-BBRMVZONSA-N 0 1 270.376 3.751 20 0 CHADMN Oc1ccc(CN(Cc2ccccc2F)C2CC2)cc1 ZINC000606431591 1127762400 /nfs/dbraw/zinc/76/24/00/1127762400.db2.gz XHZKETAXVNKDKA-UHFFFAOYSA-N 0 1 271.335 3.696 20 0 CHADMN Cc1cccc(C)c1CN1CCn2cccc2[C@H]1C ZINC000606431107 1127762422 /nfs/dbraw/zinc/76/24/22/1127762422.db2.gz VSMIZVPNDSCMGY-OAHLLOKOSA-N 0 1 254.377 3.682 20 0 CHADMN c1csc(CN2CCC[C@@H](Cc3ccccc3)C2)n1 ZINC000370872101 1127762577 /nfs/dbraw/zinc/76/25/77/1127762577.db2.gz GGLKGOUZTNMZKL-HNNXBMFYSA-N 0 1 272.417 3.598 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1Cc1csc(C2CC2)n1 ZINC000409444834 1127769393 /nfs/dbraw/zinc/76/93/93/1127769393.db2.gz ODXPPKAKUHTNRQ-MFKMUULPSA-N 0 1 250.411 3.641 20 0 CHADMN C[C@H]1CC[C@@]2(CCN(Cc3nnc(-c4ccccc4)o3)C2)C1 ZINC000371619185 1127773151 /nfs/dbraw/zinc/77/31/51/1127773151.db2.gz PAKYNUPAAVRWEI-KBXCAEBGSA-N 0 1 297.402 3.749 20 0 CHADMN Cc1nccc(NC[C@@H]2CCCC(F)(F)C2)c1Cl ZINC000409665501 1127779312 /nfs/dbraw/zinc/77/93/12/1127779312.db2.gz LRSBKHVHTJYSCB-SNVBAGLBSA-N 0 1 274.742 3.703 20 0 CHADMN Cc1nccc(NC[C@H]2CCCC(F)(F)C2)c1Cl ZINC000409665500 1127779397 /nfs/dbraw/zinc/77/93/97/1127779397.db2.gz LRSBKHVHTJYSCB-JTQLQIEISA-N 0 1 274.742 3.703 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N(C(C)C)C2CCC2)o1 ZINC000607065975 1127789358 /nfs/dbraw/zinc/78/93/58/1127789358.db2.gz XRXIHPZRDJHWMD-UHFFFAOYSA-N 0 1 292.423 3.525 20 0 CHADMN O=C1C[C@@H](c2ccccc2)N1CN1CCC2(C1)CCCCC2 ZINC000172937650 1127796188 /nfs/dbraw/zinc/79/61/88/1127796188.db2.gz LVVGZYRUMBJLFK-KRWDZBQOSA-N 0 1 298.430 3.574 20 0 CHADMN Cc1nnsc1CN1CCCC[C@H]1c1ccccc1 ZINC000516071359 1127803926 /nfs/dbraw/zinc/80/39/26/1127803926.db2.gz IGQHGJXXOXJIFF-AWEZNQCLSA-N 0 1 273.405 3.574 20 0 CHADMN c1ccc(SCCNCc2nc3ccccc3o2)cc1 ZINC000607436488 1127805620 /nfs/dbraw/zinc/80/56/20/1127805620.db2.gz GAWSMXVFCBDJAU-UHFFFAOYSA-N 0 1 284.384 3.710 20 0 CHADMN Cc1ccc(-c2noc(CN3CCC[C@@H](C)[C@@H]3C)n2)cc1 ZINC000607740501 1127822424 /nfs/dbraw/zinc/82/24/24/1127822424.db2.gz YWCWVMUZZFQOTN-KGLIPLIRSA-N 0 1 285.391 3.665 20 0 CHADMN Cc1csc([C@H](NCc2ccc3nc[nH]c3c2)C2CC2)n1 ZINC000608062999 1127842125 /nfs/dbraw/zinc/84/21/25/1127842125.db2.gz GNSDCQZFEDMXIL-OAHLLOKOSA-N 0 1 298.415 3.569 20 0 CHADMN CC[C@H](C)[C@H](NCc1cc[nH]n1)c1ccc(Cl)cc1 ZINC000608062112 1127842395 /nfs/dbraw/zinc/84/23/95/1127842395.db2.gz QZSFZQZUKRTLKF-NHYWBVRUSA-N 0 1 277.799 3.940 20 0 CHADMN Cc1csc([C@H](NCc2ccc3[nH]cnc3c2)C2CC2)n1 ZINC000608062999 1127842120 /nfs/dbraw/zinc/84/21/20/1127842120.db2.gz GNSDCQZFEDMXIL-OAHLLOKOSA-N 0 1 298.415 3.569 20 0 CHADMN C#CCCOc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000063640461 1127854858 /nfs/dbraw/zinc/85/48/58/1127854858.db2.gz IGPXPGLHHVWRGE-UHFFFAOYSA-N 0 1 280.302 3.771 20 0 CHADMN CN(C)c1cccc([C@H]2CCCN2Cc2ccc(F)cn2)c1 ZINC000373731366 1127858761 /nfs/dbraw/zinc/85/87/61/1127858761.db2.gz ZJHOFOGYHYXSJL-GOSISDBHSA-N 0 1 299.393 3.624 20 0 CHADMN CCCn1cnc(C[N@@H+](C)CCc2cccc(Cl)c2)c1 ZINC001232804044 1127862077 /nfs/dbraw/zinc/86/20/77/1127862077.db2.gz TXLXGIMXWQWOAL-UHFFFAOYSA-N 0 1 291.826 3.621 20 0 CHADMN CCCn1cnc(CN(C)CCc2cccc(Cl)c2)c1 ZINC001232804044 1127862080 /nfs/dbraw/zinc/86/20/80/1127862080.db2.gz TXLXGIMXWQWOAL-UHFFFAOYSA-N 0 1 291.826 3.621 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411656230 1127868062 /nfs/dbraw/zinc/86/80/62/1127868062.db2.gz ACQQEMPTVWENKI-HYNSBDGHSA-N 0 1 287.300 3.954 20 0 CHADMN CCc1cnc(C[N@H+]2CCC[C@@H]2Cc2ccc(C)cc2)o1 ZINC000608497227 1127869673 /nfs/dbraw/zinc/86/96/73/1127869673.db2.gz HODOTPGHUIGBKX-MRXNPFEDSA-N 0 1 284.403 3.753 20 0 CHADMN CC(C)[C@H](C)[N@@H+](Cc1ccncc1Cl)C1CC1 ZINC000608493515 1127870322 /nfs/dbraw/zinc/87/03/22/1127870322.db2.gz IBXCALOTRFDDNR-NSHDSACASA-N 0 1 252.789 3.744 20 0 CHADMN CCc1ccc([C@@H]2CCC[N@H+]([C@@H](C)c3nnc(C)[nH]3)C2)cc1 ZINC000411721480 1127871990 /nfs/dbraw/zinc/87/19/90/1127871990.db2.gz IJEQFYBHGOWGOY-SUMWQHHRSA-N 0 1 298.434 3.616 20 0 CHADMN CCc1ccc([C@@H]2CCCN([C@@H](C)c3nnc(C)[nH]3)C2)cc1 ZINC000411721480 1127871997 /nfs/dbraw/zinc/87/19/97/1127871997.db2.gz IJEQFYBHGOWGOY-SUMWQHHRSA-N 0 1 298.434 3.616 20 0 CHADMN Clc1sccc1-c1cccc([C@H]2COCCN2)c1 ZINC001118899729 1131241448 /nfs/dbraw/zinc/24/14/48/1131241448.db2.gz CKKHPOODNCFVQU-CYBMUJFWSA-N 0 1 279.792 3.729 20 0 CHADMN Cc1cc([C@H]2CCCN2CCCCC2CCOCC2)no1 ZINC000374101497 1127874195 /nfs/dbraw/zinc/87/41/95/1127874195.db2.gz ZIFAEZRKRPIDQS-QGZVFWFLSA-N 0 1 292.423 3.717 20 0 CHADMN CCc1nnc(CN(C)[C@H]2CCC[C@H]2c2ccc(C)cc2)o1 ZINC000374117618 1127874368 /nfs/dbraw/zinc/87/43/68/1127874368.db2.gz FQJYDYNZZFMYEY-HOTGVXAUSA-N 0 1 299.418 3.709 20 0 CHADMN CC[C@@H]1CN(Cc2ccccc2OC(C)C)CCS1 ZINC000608510558 1127874412 /nfs/dbraw/zinc/87/44/12/1127874412.db2.gz LLLGMXFCOCPDAX-OAHLLOKOSA-N 0 1 279.449 3.801 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000608511083 1127874774 /nfs/dbraw/zinc/87/47/74/1127874774.db2.gz DWYBSXLPBTUFLS-KBPBESRZSA-N 0 1 287.382 3.632 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN1C2CCCC1CCC2 ZINC000608564957 1127877339 /nfs/dbraw/zinc/87/73/39/1127877339.db2.gz WQZROHDENDFFAN-UHFFFAOYSA-N 0 1 286.419 3.649 20 0 CHADMN CO[C@](C)([C@H](C)NCc1csc(C(C)(C)C)n1)C1CC1 ZINC000411943285 1127881435 /nfs/dbraw/zinc/88/14/35/1127881435.db2.gz IRTQXOTWWSITPD-MEDUHNTESA-N 0 1 296.480 3.734 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN2CCC3(CCCC3)C2)c1 ZINC000174266174 1127884448 /nfs/dbraw/zinc/88/44/48/1127884448.db2.gz VVYVAPIQXQMSRV-UHFFFAOYSA-N 0 1 286.419 3.508 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000608746114 1127884531 /nfs/dbraw/zinc/88/45/31/1127884531.db2.gz VTYARTUCCICFMF-XYPHTWIQSA-N 0 1 273.420 3.908 20 0 CHADMN Cc1cccc(-c2noc(CN3CCC4(CCCC4)C3)n2)c1 ZINC000174274456 1127887712 /nfs/dbraw/zinc/88/77/12/1127887712.db2.gz NUNFAEGJTWROKW-UHFFFAOYSA-N 0 1 297.402 3.811 20 0 CHADMN C[C@@H]1CC(C)(C)C[N@H+]1Cc1coc(-c2ccccc2)n1 ZINC000412037403 1127889667 /nfs/dbraw/zinc/88/96/67/1127889667.db2.gz HQXFVLYUPWPEMV-CYBMUJFWSA-N 0 1 270.376 3.962 20 0 CHADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1nc2ccc(F)cc2o1 ZINC000412033226 1127890507 /nfs/dbraw/zinc/89/05/07/1127890507.db2.gz CUQUAGDGJHAIKZ-JTQLQIEISA-N 0 1 262.328 3.587 20 0 CHADMN C[C@H]1CC(C)(C)CN1Cc1nc2ccc(F)cc2o1 ZINC000412033226 1127890513 /nfs/dbraw/zinc/89/05/13/1127890513.db2.gz CUQUAGDGJHAIKZ-JTQLQIEISA-N 0 1 262.328 3.587 20 0 CHADMN Cn1cc2c(n1)CCC[C@@H]2N[C@@H]1CC(C)(C)Cc2occc21 ZINC000374581611 1127905276 /nfs/dbraw/zinc/90/52/76/1127905276.db2.gz AZESZCIVVYQENP-GOEBONIOSA-N 0 1 299.418 3.694 20 0 CHADMN c1ccc(CN(Cc2cncc3ccccc32)C2CC2)nc1 ZINC000784253083 1127909752 /nfs/dbraw/zinc/90/97/52/1127909752.db2.gz BMXZYGCPJJYFLL-UHFFFAOYSA-N 0 1 289.382 3.794 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1cnc(C)cc1C ZINC001233010725 1127909931 /nfs/dbraw/zinc/90/99/31/1127909931.db2.gz ZIZBCJIYNVJEIJ-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN CO[C@@H]1CCCN([C@H](C)c2c(F)cccc2F)CC1 ZINC000374692760 1127910662 /nfs/dbraw/zinc/91/06/62/1127910662.db2.gz IREGMQRYESSLER-VXGBXAGGSA-N 0 1 269.335 3.527 20 0 CHADMN Cc1cc(C(=O)Nc2cccc3c2CN(C2CC2)C3)c(C)o1 ZINC000374837278 1127915403 /nfs/dbraw/zinc/91/54/03/1127915403.db2.gz IJCJOSKYAXJKAT-UHFFFAOYSA-N 0 1 296.370 3.627 20 0 CHADMN Clc1ccc(CCCN2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000375002836 1127924092 /nfs/dbraw/zinc/92/40/92/1127924092.db2.gz HRIAPQSVDBTPGW-HNNXBMFYSA-N 0 1 289.810 3.833 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000412831649 1127929659 /nfs/dbraw/zinc/92/96/59/1127929659.db2.gz WMWKYRRGPKUCSM-QWHCGFSZSA-N 0 1 291.439 3.786 20 0 CHADMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(F)c1)c1ccsc1 ZINC000669829021 1127928025 /nfs/dbraw/zinc/92/80/25/1127928025.db2.gz XZSGIWLEDUTSDT-MNOVXSKESA-N 0 1 292.379 3.565 20 0 CHADMN CCc1nnc(SCc2cnc3ccc(C)cc3c2)[nH]1 ZINC000412984172 1127935160 /nfs/dbraw/zinc/93/51/60/1127935160.db2.gz BYPSYZVETPIJCM-UHFFFAOYSA-N 0 1 284.388 3.516 20 0 CHADMN CCc1n[nH]c(SCc2cnc3ccc(C)cc3c2)n1 ZINC000412984172 1127935163 /nfs/dbraw/zinc/93/51/63/1127935163.db2.gz BYPSYZVETPIJCM-UHFFFAOYSA-N 0 1 284.388 3.516 20 0 CHADMN CCc1nc(S[C@H](C)c2ccc3c(c2)CCC3)n[nH]1 ZINC000412991152 1127935536 /nfs/dbraw/zinc/93/55/36/1127935536.db2.gz QKJLJUHNDFETCK-SNVBAGLBSA-N 0 1 273.405 3.709 20 0 CHADMN CCc1n[nH]c(S[C@H](C)c2ccc3c(c2)CCC3)n1 ZINC000412991152 1127935539 /nfs/dbraw/zinc/93/55/39/1127935539.db2.gz QKJLJUHNDFETCK-SNVBAGLBSA-N 0 1 273.405 3.709 20 0 CHADMN C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc([S-])cc1 ZINC001233261701 1127940748 /nfs/dbraw/zinc/94/07/48/1127940748.db2.gz ACLBCTQXZAZBDO-CYBMUJFWSA-N 0 1 269.413 3.922 20 0 CHADMN Fc1cc(F)cc(CN2CC[C@@H]2Cc2ccccc2)c1 ZINC000539823821 1127941292 /nfs/dbraw/zinc/94/12/92/1127941292.db2.gz SIGBQEPFSXHUIL-QGZVFWFLSA-N 0 1 273.326 3.782 20 0 CHADMN CC[C@H](N[C@H](CO)c1ccccc1C)c1ccccc1F ZINC000539812866 1127941850 /nfs/dbraw/zinc/94/18/50/1127941850.db2.gz WKXKSDHDCFQCJR-ZWKOTPCHSA-N 0 1 287.378 3.908 20 0 CHADMN CCn1nccc1CN1CCCC[C@H]1c1ccc(C)cc1 ZINC000539839990 1127946802 /nfs/dbraw/zinc/94/68/02/1127946802.db2.gz DZSTYOZOXCYGKD-SFHVURJKSA-N 0 1 283.419 3.939 20 0 CHADMN C[C@H](CCc1ccc(C(F)(F)F)cc1)NCc1cocn1 ZINC000669848757 1127948749 /nfs/dbraw/zinc/94/87/49/1127948749.db2.gz QHLKHCUIBMRBDL-LLVKDONJSA-N 0 1 298.308 3.804 20 0 CHADMN CC(C)n1ccc(Nc2cccc(N3CCN(C)CC3)c2)c1 ZINC001203164824 1127950461 /nfs/dbraw/zinc/95/04/61/1127950461.db2.gz HWGXFULFULWBJL-UHFFFAOYSA-N 0 1 298.434 3.564 20 0 CHADMN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1ccc(Cl)o1 ZINC000539897590 1127952067 /nfs/dbraw/zinc/95/20/67/1127952067.db2.gz CXFFXWUDBRJHIG-NHYWBVRUSA-N 0 1 291.778 3.757 20 0 CHADMN C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1ccc(Cl)o1 ZINC000539897589 1127952167 /nfs/dbraw/zinc/95/21/67/1127952167.db2.gz CXFFXWUDBRJHIG-IAQYHMDHSA-N 0 1 291.778 3.757 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C[C@H](C)CC(C)C)ccc12 ZINC000539905686 1127952991 /nfs/dbraw/zinc/95/29/91/1127952991.db2.gz VYGTVULBDTVNHF-LLVKDONJSA-N 0 1 273.380 3.882 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)CCc3ccc(C)cc3)ccc12 ZINC000539909539 1127953114 /nfs/dbraw/zinc/95/31/14/1127953114.db2.gz KIICWOJUAMSBEY-UHFFFAOYSA-N 0 1 293.370 3.751 20 0 CHADMN C[C@H](N[C@@H]1CSC[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000287375542 1127953445 /nfs/dbraw/zinc/95/34/45/1127953445.db2.gz HYKLRAKPAJYLRQ-BIIVOSGPSA-N 0 1 296.383 3.564 20 0 CHADMN COc1ccc(CN2CCC[C@H](C)CC2)c(Cl)c1O ZINC001233398045 1127957801 /nfs/dbraw/zinc/95/78/01/1127957801.db2.gz VWBJFVVOMWWSSL-NSHDSACASA-N 0 1 283.799 3.676 20 0 CHADMN CC(C)(C)[C@H]1CCN(CC(=O)Nc2ccccc2Cl)C1 ZINC000544186636 1127961698 /nfs/dbraw/zinc/96/16/98/1127961698.db2.gz AVDZZFRNBFBANT-LBPRGKRZSA-N 0 1 294.826 3.647 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c[nH]nc21)c1cc2c(s1)CCC2 ZINC000540164053 1127966826 /nfs/dbraw/zinc/96/68/26/1127966826.db2.gz SHRDEHYSVWXLTC-MFKMUULPSA-N 0 1 287.432 3.688 20 0 CHADMN CO[C@H]1CN(Cc2c(Cl)oc3ccccc32)CC[C@@H]1C ZINC000467387436 1127967523 /nfs/dbraw/zinc/96/75/23/1127967523.db2.gz GSBHPQZSNKYLKV-NHYWBVRUSA-N 0 1 293.794 3.943 20 0 CHADMN C[C@H](Cc1cccc(C(F)(F)F)c1)N[C@H](C)c1ccon1 ZINC000467393395 1127967729 /nfs/dbraw/zinc/96/77/29/1127967729.db2.gz ZYHOOPIEOFMEMC-GHMZBOCLSA-N 0 1 298.308 3.975 20 0 CHADMN C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC(C)(C)C1 ZINC000544320481 1127968286 /nfs/dbraw/zinc/96/82/86/1127968286.db2.gz UCGYMWBXSGFFEL-ZDUSSCGKSA-N 0 1 297.402 3.585 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(C)c(Cl)c2)CCCO1 ZINC000467562465 1127974172 /nfs/dbraw/zinc/97/41/72/1127974172.db2.gz LZDYIMRCOCMWKU-CQSZACIVSA-N 0 1 267.800 3.649 20 0 CHADMN CCCCn1cc(CN[C@@H](C)c2cccc(F)c2)c(C)n1 ZINC000540316333 1127974557 /nfs/dbraw/zinc/97/45/57/1127974557.db2.gz WFRIHRWNBGONGT-ZDUSSCGKSA-N 0 1 289.398 3.982 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1nc(-c2cccs2)no1 ZINC000544530420 1127976008 /nfs/dbraw/zinc/97/60/08/1127976008.db2.gz UDGQICFOOQEQSV-GFCCVEGCSA-N 0 1 291.420 3.953 20 0 CHADMN c1ccc2c(c1)SC[C@H]2NCC1=Cc2ccccc2OC1 ZINC000540600804 1127985882 /nfs/dbraw/zinc/98/58/82/1127985882.db2.gz SBVDVEONOFAOET-MRXNPFEDSA-N 0 1 295.407 3.899 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000037506578 1127987663 /nfs/dbraw/zinc/98/76/63/1127987663.db2.gz BPGVEJIYNOVDDH-HOCLYGCPSA-N 0 1 273.376 3.539 20 0 CHADMN CC[C@@]1(C)CCN([C@@H](C)C(=O)Nc2ccc(C)cc2F)C1 ZINC000468148516 1127994721 /nfs/dbraw/zinc/99/47/21/1127994721.db2.gz IJMZIIPMDUIXPX-GUYCJALGSA-N 0 1 292.398 3.583 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@@](C)(CC)C2)n1 ZINC000468114261 1127993028 /nfs/dbraw/zinc/99/30/28/1127993028.db2.gz WWFNYWJWTHKPCF-SWLSCSKDSA-N 0 1 265.401 3.595 20 0 CHADMN CC[C@]1(C)CCN([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000468135070 1127993467 /nfs/dbraw/zinc/99/34/67/1127993467.db2.gz XTZBGYQDBFWHHP-XHDPSFHLSA-N 0 1 291.420 3.981 20 0 CHADMN COC/C(C)=C\C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000929633329 1127994545 /nfs/dbraw/zinc/99/45/45/1127994545.db2.gz VILYJIGVRKKMLL-JQPKSGMCSA-N 0 1 281.346 3.694 20 0 CHADMN COC/C(C)=C\CN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000929633329 1127994548 /nfs/dbraw/zinc/99/45/48/1127994548.db2.gz VILYJIGVRKKMLL-JQPKSGMCSA-N 0 1 281.346 3.694 20 0 CHADMN C[C@H](Oc1n[nH]c(=O)cc1Cl)c1cccc(Cl)c1 ZINC001233591894 1127995379 /nfs/dbraw/zinc/99/53/79/1127995379.db2.gz ZXAARDXSSPTOGP-ZETCQYMHSA-N 0 1 285.130 3.629 20 0 CHADMN Cc1cc(CN2CC3(C2)CC(F)(F)C3)sc1C ZINC001233644956 1128005686 /nfs/dbraw/zinc/00/56/86/1128005686.db2.gz BQKUORXNEQDEKP-UHFFFAOYSA-N 0 1 257.349 3.596 20 0 CHADMN CCOC(=O)[C@H](CC(C)C)N1CCC[C@H]1c1cccs1 ZINC000541065534 1128006786 /nfs/dbraw/zinc/00/67/86/1128006786.db2.gz OSQRQGNAUPJLLH-KBPBESRZSA-N 0 1 295.448 3.863 20 0 CHADMN CC(C)(CC[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)C1CC1 ZINC000405962022 1128008318 /nfs/dbraw/zinc/00/83/18/1128008318.db2.gz PCFZGMZISPSUDK-SNPRPXQTSA-N 0 1 279.424 3.530 20 0 CHADMN CCc1cccc(CSc2nc(C(C)(C)C)n[nH]2)c1 ZINC000468457290 1128009098 /nfs/dbraw/zinc/00/90/98/1128009098.db2.gz FBISTGNCEAHBOM-UHFFFAOYSA-N 0 1 275.421 3.957 20 0 CHADMN CCc1cccc(CSc2n[nH]c(C(C)(C)C)n2)c1 ZINC000468457290 1128009102 /nfs/dbraw/zinc/00/91/02/1128009102.db2.gz FBISTGNCEAHBOM-UHFFFAOYSA-N 0 1 275.421 3.957 20 0 CHADMN CCOc1ccc(CN2CCc3c(cccc3OC)C2)cc1 ZINC000541243725 1128013533 /nfs/dbraw/zinc/01/35/33/1128013533.db2.gz VDOQUBBMBBZUDO-UHFFFAOYSA-N 0 1 297.398 3.652 20 0 CHADMN CO[C@H]1CCC[C@@H]1Sc1n[nH]c(CCC2CCCC2)n1 ZINC000541410071 1128022501 /nfs/dbraw/zinc/02/25/01/1128022501.db2.gz CJWJZVKMTGOMDR-STQMWFEESA-N 0 1 295.452 3.587 20 0 CHADMN CO[C@H]1CCC[C@@H]1Sc1nc(CCC2CCCC2)n[nH]1 ZINC000541410071 1128022504 /nfs/dbraw/zinc/02/25/04/1128022504.db2.gz CJWJZVKMTGOMDR-STQMWFEESA-N 0 1 295.452 3.587 20 0 CHADMN CCc1cnc(CN2CC[C@H](c3cccc(C)c3)C2)o1 ZINC000541387976 1128022601 /nfs/dbraw/zinc/02/26/01/1128022601.db2.gz RWHYJYMFMZIIKC-HNNXBMFYSA-N 0 1 270.376 3.535 20 0 CHADMN Cc1ccc(CCNCc2ncc(C(C)C)s2)o1 ZINC000541389457 1128020630 /nfs/dbraw/zinc/02/06/30/1128020630.db2.gz KQNBQUBYBPWDRS-UHFFFAOYSA-N 0 1 264.394 3.500 20 0 CHADMN CCN(CCC1CC1)Cc1cc(O)ccc1Br ZINC000545559886 1128021160 /nfs/dbraw/zinc/02/11/60/1128021160.db2.gz GCKLMUWNWXAEPY-UHFFFAOYSA-N 0 1 298.224 3.777 20 0 CHADMN Cl/C=C/CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000913611348 1128031996 /nfs/dbraw/zinc/03/19/96/1128031996.db2.gz YXXCNVPJVISFLZ-TZRLODCYSA-N 0 1 277.780 3.820 20 0 CHADMN CC[C@@H](N[C@@H]1CC(C)(C)c2ccccc21)c1ccn(C)n1 ZINC000541740647 1128036602 /nfs/dbraw/zinc/03/66/02/1128036602.db2.gz ACBZNGJSSOOGEM-NVXWUHKLSA-N 0 1 283.419 3.883 20 0 CHADMN CC[C@H](N[C@@H]1CC(C)(C)c2ccccc21)c1ccn(C)n1 ZINC000541740646 1128036623 /nfs/dbraw/zinc/03/66/23/1128036623.db2.gz ACBZNGJSSOOGEM-DOTOQJQBSA-N 0 1 283.419 3.883 20 0 CHADMN CC(C)CO[C@H]1CCN(C/C=C\c2ccc(F)cc2F)C1 ZINC000541772277 1128038481 /nfs/dbraw/zinc/03/84/81/1128038481.db2.gz YRGOIJZIVBHKRO-QGZUEGPWSA-N 0 1 295.373 3.725 20 0 CHADMN Cc1ccc(C(C)(C)C[N@@H+](C)Cc2ccc(F)cn2)cc1 ZINC000469603308 1128048575 /nfs/dbraw/zinc/04/85/75/1128048575.db2.gz SAZAEJSUKLVCHB-UHFFFAOYSA-N 0 1 286.394 3.939 20 0 CHADMN CCc1cccc(CN[C@@H](COC)c2ccc(F)cc2)c1 ZINC000469793065 1128054399 /nfs/dbraw/zinc/05/43/99/1128054399.db2.gz YNHLEPUPPUOBMH-SFHVURJKSA-N 0 1 287.378 3.865 20 0 CHADMN CC(C)CCC1CCN(Cc2ccc(F)cn2)CC1 ZINC000469716847 1128050415 /nfs/dbraw/zinc/05/04/15/1128050415.db2.gz HLWKIGHXNQHBNB-UHFFFAOYSA-N 0 1 264.388 3.869 20 0 CHADMN Fc1ccc(CNC2(c3ccccc3)CCCC2)nc1 ZINC000469762974 1128052864 /nfs/dbraw/zinc/05/28/64/1128052864.db2.gz FNAMVKDPKPWYOG-UHFFFAOYSA-N 0 1 270.351 3.780 20 0 CHADMN C[C@H](Cc1ccsc1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000542152243 1128053189 /nfs/dbraw/zinc/05/31/89/1128053189.db2.gz OHEHIBYSXUMMHN-SNVBAGLBSA-N 0 1 275.339 3.874 20 0 CHADMN C[C@H](Cc1ccsc1)N1CC=C(C(F)(F)F)CC1 ZINC000542152243 1128053193 /nfs/dbraw/zinc/05/31/93/1128053193.db2.gz OHEHIBYSXUMMHN-SNVBAGLBSA-N 0 1 275.339 3.874 20 0 CHADMN CC(C)(C)c1n[nH]c(SCCc2cccc(F)c2F)n1 ZINC000542214378 1128057459 /nfs/dbraw/zinc/05/74/59/1128057459.db2.gz HJUBOVXYKQGBBS-UHFFFAOYSA-N 0 1 297.374 3.715 20 0 CHADMN CC(C)(C)c1nc(SCCc2cccc(F)c2F)n[nH]1 ZINC000542214378 1128057462 /nfs/dbraw/zinc/05/74/62/1128057462.db2.gz HJUBOVXYKQGBBS-UHFFFAOYSA-N 0 1 297.374 3.715 20 0 CHADMN CC(C)c1ccc([C@@H](C)N(C)C[C@H](O)C(F)(F)F)cc1 ZINC000542256228 1128060047 /nfs/dbraw/zinc/06/00/47/1128060047.db2.gz UPJSATCLXZMLFB-RISCZKNCSA-N 0 1 289.341 3.726 20 0 CHADMN Fc1ccc2c(c1F)CN(CCc1ccccc1)CC2 ZINC000469982820 1128060678 /nfs/dbraw/zinc/06/06/78/1128060678.db2.gz PFDFQIMGHDLOIR-UHFFFAOYSA-N 0 1 273.326 3.566 20 0 CHADMN CC(C)CCc1noc(CN2CC[C@H](C(C)(C)C)C2)n1 ZINC000542317804 1128063088 /nfs/dbraw/zinc/06/30/88/1128063088.db2.gz HTQIQAYQWNKBGA-ZDUSSCGKSA-N 0 1 279.428 3.526 20 0 CHADMN CC(C)Oc1ncccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000386743670 1128065398 /nfs/dbraw/zinc/06/53/98/1128065398.db2.gz ADVUSAURDSUJEF-CQSZACIVSA-N 0 1 295.386 3.591 20 0 CHADMN FC(F)(F)C1=CCN(C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000669932478 1128065947 /nfs/dbraw/zinc/06/59/47/1128065947.db2.gz ZOPMYZHHDVFKSW-CYBMUJFWSA-N 0 1 289.341 3.673 20 0 CHADMN CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccccc1F ZINC000469990010 1128061168 /nfs/dbraw/zinc/06/11/68/1128061168.db2.gz IGKYXXNLZWBCGJ-LBPRGKRZSA-N 0 1 275.289 3.989 20 0 CHADMN CC[C@@H](NCC(=O)N(C(C)C)C(C)C)c1ccccc1F ZINC000653793347 1128068330 /nfs/dbraw/zinc/06/83/30/1128068330.db2.gz PNBRLLOTEBEBMJ-MRXNPFEDSA-N 0 1 294.414 3.512 20 0 CHADMN Cc1ccoc1CNCc1cc(F)cc2cccnc21 ZINC000491414263 1128069779 /nfs/dbraw/zinc/06/97/79/1128069779.db2.gz OGJUUUKHGBEIPG-UHFFFAOYSA-N 0 1 270.307 3.565 20 0 CHADMN Cc1ccnc(NC[C@@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC000470505249 1128072070 /nfs/dbraw/zinc/07/20/70/1128072070.db2.gz BAIFCAUOVCZQRO-DZGCQCFKSA-N 0 1 262.397 3.643 20 0 CHADMN Cc1ccnc(NCC2(c3ccccc3C)CCOCC2)c1 ZINC000470494690 1128072365 /nfs/dbraw/zinc/07/23/65/1128072365.db2.gz DMQCZMNBILRFRP-UHFFFAOYSA-N 0 1 296.414 3.859 20 0 CHADMN O=C(NCCCSc1ccccc1Cl)C(F)(F)F ZINC000151725543 1128073824 /nfs/dbraw/zinc/07/38/24/1128073824.db2.gz POFIINUHIZFNGG-UHFFFAOYSA-N 0 1 297.729 3.501 20 0 CHADMN C[C@@H](CC(C)(C)C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000470699667 1128075133 /nfs/dbraw/zinc/07/51/33/1128075133.db2.gz BPOYCRYORRWHER-STQMWFEESA-N 0 1 296.480 3.539 20 0 CHADMN CC[C@@H]1CN(Cc2cnc(-c3ccccc3)o2)CCS1 ZINC000929753554 1128077871 /nfs/dbraw/zinc/07/78/71/1128077871.db2.gz RXJDAIAYMGTMDQ-OAHLLOKOSA-N 0 1 288.416 3.669 20 0 CHADMN C[C@H](NCc1cncn1Cc1ccccc1)c1ccsc1 ZINC000669939011 1128077985 /nfs/dbraw/zinc/07/79/85/1128077985.db2.gz HQGCRVFNRSPYFE-AWEZNQCLSA-N 0 1 297.427 3.844 20 0 CHADMN C[C@@H]1CN(Cc2csc3ccccc23)C[C@@H](C2CC2)O1 ZINC000470907572 1128080162 /nfs/dbraw/zinc/08/01/62/1128080162.db2.gz FFOOBZAHWAVGKD-WBMJQRKESA-N 0 1 287.428 3.901 20 0 CHADMN Cc1ccc(C(=O)CCN2CC[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000470947053 1128083010 /nfs/dbraw/zinc/08/30/10/1128083010.db2.gz MTABPWMVNGIPMU-JSGCOSHPSA-N 0 1 299.336 3.841 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccc(N)nc2)o1 ZINC000929760680 1128083451 /nfs/dbraw/zinc/08/34/51/1128083451.db2.gz VXXIGKDVQKAVQN-WFASDCNBSA-N 0 1 285.391 3.538 20 0 CHADMN CCCO[C@@H]1CCCN(Cc2ccncc2Cl)CC1 ZINC000173718094 1128092284 /nfs/dbraw/zinc/09/22/84/1128092284.db2.gz MLVNINXJRGANSN-CQSZACIVSA-N 0 1 282.815 3.516 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1ncccc1C ZINC000557203475 1128093861 /nfs/dbraw/zinc/09/38/61/1128093861.db2.gz YGPCAILXRYJKHI-IBGZPJMESA-N 0 1 296.414 3.908 20 0 CHADMN CCn1ccc(CN(C)[C@@H](C)c2ccccc2F)c1 ZINC000682778252 1128096536 /nfs/dbraw/zinc/09/65/36/1128096536.db2.gz ZDMMAWCQIQDLKY-ZDUSSCGKSA-N 0 1 260.356 3.840 20 0 CHADMN CC[C@H](C)[C@@](C)(O)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000305809792 1128102580 /nfs/dbraw/zinc/10/25/80/1128102580.db2.gz HOTFMVJQQLCPFH-SNRMKQJTSA-N 0 1 298.430 3.558 20 0 CHADMN COCCN[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000924537443 1128102591 /nfs/dbraw/zinc/10/25/91/1128102591.db2.gz IKGKTMYTNQKDFZ-GOSISDBHSA-N 0 1 284.403 3.530 20 0 CHADMN COc1ccnc([C@H](C)N[C@H](C)c2cccs2)c1 ZINC000924549083 1128104458 /nfs/dbraw/zinc/10/44/58/1128104458.db2.gz QASSVSSGDFPNFX-WDEREUQCSA-N 0 1 262.378 3.564 20 0 CHADMN C[C@@H](N[C@H]1CCOc2ccccc21)c1ccnn1C1CCC1 ZINC000924564433 1128105600 /nfs/dbraw/zinc/10/56/00/1128105600.db2.gz QSRVTPKKGBZGJI-CJNGLKHVSA-N 0 1 297.402 3.783 20 0 CHADMN COc1ccnc([C@@H](C)N[C@H](c2ccccc2)C2CC2)c1 ZINC000924597337 1128106161 /nfs/dbraw/zinc/10/61/61/1128106161.db2.gz IRFMFADLEWRIGL-FZKQIMNGSA-N 0 1 282.387 3.892 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3c2nccc3Cl)ccc1F ZINC000924593752 1128106696 /nfs/dbraw/zinc/10/66/96/1128106696.db2.gz KSOIOJHCNKTBRH-OAHLLOKOSA-N 0 1 290.769 3.960 20 0 CHADMN COCc1ccc(CN[C@H](C)c2cc(O)cc(F)c2)cc1 ZINC000924611624 1128107085 /nfs/dbraw/zinc/10/70/85/1128107085.db2.gz ZAGNWBFWZNZNLD-GFCCVEGCSA-N 0 1 289.350 3.529 20 0 CHADMN C[C@@H](NCc1ccsc1)c1cccc(Br)n1 ZINC000924665232 1128109335 /nfs/dbraw/zinc/10/93/35/1128109335.db2.gz KMCMTLFEXQMNHL-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(C(C)(C)C)cc1)c1cnnn1C ZINC000924710553 1128110756 /nfs/dbraw/zinc/11/07/56/1128110756.db2.gz LVLMXORHNBWGEQ-CHWSQXEVSA-N 0 1 286.423 3.524 20 0 CHADMN Fc1cccc(-c2cnc(CN3CCCCCC3)o2)c1 ZINC000175068630 1128110919 /nfs/dbraw/zinc/11/09/19/1128110919.db2.gz MVSJGGOYVUEKGO-UHFFFAOYSA-N 0 1 274.339 3.857 20 0 CHADMN Cc1nn(C)c(CN[C@H]2CCCc3ccccc32)c1Cl ZINC000089231890 1128112142 /nfs/dbraw/zinc/11/21/42/1128112142.db2.gz PTIIWLYYCVFSFW-AWEZNQCLSA-N 0 1 289.810 3.549 20 0 CHADMN CCC[C@H](NC[C@@H]1CCCCO1)c1ncccc1Cl ZINC000924802222 1128112865 /nfs/dbraw/zinc/11/28/65/1128112865.db2.gz IACSCPDSXKMZRE-JSGCOSHPSA-N 0 1 282.815 3.735 20 0 CHADMN C[C@H](NCCc1c[nH]c2cc(Cl)ccc12)c1ncco1 ZINC000924856543 1128115428 /nfs/dbraw/zinc/11/54/28/1128115428.db2.gz PUZAJPINOYDOML-JTQLQIEISA-N 0 1 289.766 3.703 20 0 CHADMN C[C@@H](NCC1(c2ccc(F)cc2)CCC1)c1ncco1 ZINC000924885322 1128115864 /nfs/dbraw/zinc/11/58/64/1128115864.db2.gz NIVPTWCUPDFINK-GFCCVEGCSA-N 0 1 274.339 3.586 20 0 CHADMN CCOc1ccccc1[C@@H](CC)N[C@H](C)c1ccnnc1 ZINC000924897298 1128116128 /nfs/dbraw/zinc/11/61/28/1128116128.db2.gz OVBSBGHPRFZLSI-CZUORRHYSA-N 0 1 285.391 3.677 20 0 CHADMN CCOc1ccccc1[C@@H](CC)N[C@@H](C)c1ccnnc1 ZINC000924897300 1128116424 /nfs/dbraw/zinc/11/64/24/1128116424.db2.gz OVBSBGHPRFZLSI-XJKSGUPXSA-N 0 1 285.391 3.677 20 0 CHADMN FC(F)(F)[C@@H]1CCC[C@@H](CN2CC[C@@H]2c2ccccc2)O1 ZINC000929789225 1128116748 /nfs/dbraw/zinc/11/67/48/1128116748.db2.gz QWFPMEMGHNNJAV-ZNMIVQPWSA-N 0 1 299.336 3.933 20 0 CHADMN Cc1ccc(C(C)(C)CN[C@@H](C)c2ncco2)cc1 ZINC000924940280 1128116745 /nfs/dbraw/zinc/11/67/45/1128116745.db2.gz WZJGXFIJPVXOKX-ZDUSSCGKSA-N 0 1 258.365 3.611 20 0 CHADMN FCc1ccc(COc2ccccc2-c2nnc[nH]2)cc1 ZINC000777538773 1128117256 /nfs/dbraw/zinc/11/72/56/1128117256.db2.gz BOAYJSUDEHYMIM-UHFFFAOYSA-N 0 1 283.306 3.520 20 0 CHADMN C[C@@H](CCC1CCCCC1)N[C@@H](C)c1cc(CO)on1 ZINC000925072103 1128120888 /nfs/dbraw/zinc/12/08/88/1128120888.db2.gz QXRVUHYQRTYQFD-STQMWFEESA-N 0 1 280.412 3.567 20 0 CHADMN COc1cc(C)ccc1CN[C@H](C)c1ccnn1C1CCC1 ZINC000925259340 1128126936 /nfs/dbraw/zinc/12/69/36/1128126936.db2.gz IIYSHYQYLFIIGN-CQSZACIVSA-N 0 1 299.418 3.776 20 0 CHADMN CCc1ccc(CNCc2nc3c(s2)CCC3)s1 ZINC000093061835 1128127458 /nfs/dbraw/zinc/12/74/58/1128127458.db2.gz FCYUYLRZIWDUHJ-UHFFFAOYSA-N 0 1 278.446 3.546 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1C[C@@H]1C1CCCCC1 ZINC000925463895 1128129795 /nfs/dbraw/zinc/12/97/95/1128129795.db2.gz BDUSNIWEPOPGBY-ILXRZTDVSA-N 0 1 274.408 3.919 20 0 CHADMN CCn1c2ccccc2nc1[C@H](C)N[C@H](C)C1(Cl)CC1 ZINC000925440391 1128129411 /nfs/dbraw/zinc/12/94/11/1128129411.db2.gz RKJWVVWLXSZNCB-NWDGAFQWSA-N 0 1 291.826 3.867 20 0 CHADMN C[C@H](NCc1cccc(F)c1)c1ccnn1-c1ccccc1 ZINC000467313049 1128135091 /nfs/dbraw/zinc/13/50/91/1128135091.db2.gz LDBMZOANMGVZIT-AWEZNQCLSA-N 0 1 295.361 3.862 20 0 CHADMN C[C@@H](NCc1cccc(N(C)C)n1)c1coc2ccccc21 ZINC000925625134 1128135185 /nfs/dbraw/zinc/13/51/85/1128135185.db2.gz BHEQAJKAPBBZCU-CYBMUJFWSA-N 0 1 295.386 3.745 20 0 CHADMN COc1ccnc([C@@H](C)NCc2c(C)cccc2C)c1 ZINC000925546797 1128131519 /nfs/dbraw/zinc/13/15/19/1128131519.db2.gz PHZCVPXDMSLHGR-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN c1sc(CN[C@@H]2CCOC23CCCCC3)nc1C1CC1 ZINC000925546281 1128131961 /nfs/dbraw/zinc/13/19/61/1128131961.db2.gz ITNASAAACKHCOH-CQSZACIVSA-N 0 1 292.448 3.602 20 0 CHADMN CCC(CC)NC1(c2ccc(C(F)(F)F)cc2)COC1 ZINC001257288686 1128134229 /nfs/dbraw/zinc/13/42/29/1128134229.db2.gz BDOMRCIIMRAIHG-UHFFFAOYSA-N 0 1 287.325 3.709 20 0 CHADMN CCc1cnc(CN2CC[C@](C)(c3ccccc3)C2)s1 ZINC000542465719 1128139033 /nfs/dbraw/zinc/13/90/33/1128139033.db2.gz KQGPIIIPBFEPLQ-KRWDZBQOSA-N 0 1 286.444 3.869 20 0 CHADMN C[C@@H](N[C@H](c1cccnc1)C1CC1)c1cc(O)cc(F)c1 ZINC000925646295 1128135729 /nfs/dbraw/zinc/13/57/29/1128135729.db2.gz SIGKHHBVMQBIMH-DIFFPNOSSA-N 0 1 286.350 3.728 20 0 CHADMN C[C@H](c1ccccc1F)N1CCN(c2ccccc2)CC1 ZINC000613314170 1128140574 /nfs/dbraw/zinc/14/05/74/1128140574.db2.gz BBUYHNFTHOTWJG-OAHLLOKOSA-N 0 1 284.378 3.709 20 0 CHADMN CCc1nnc([C@H](C)N[C@@H]2CCC[C@@H]2CCC(C)C)o1 ZINC000493570870 1128144044 /nfs/dbraw/zinc/14/40/44/1128144044.db2.gz CLHKXILQGOWQSN-BFHYXJOUSA-N 0 1 279.428 3.888 20 0 CHADMN CCc1nnc([C@H](C)N[C@@H]2CCC[C@H]2CCC(C)C)o1 ZINC000493570872 1128144225 /nfs/dbraw/zinc/14/42/25/1128144225.db2.gz CLHKXILQGOWQSN-MELADBBJSA-N 0 1 279.428 3.888 20 0 CHADMN FC1(F)CC[C@@H](N[C@H]2COCc3cccc(Cl)c32)C1 ZINC000925929077 1128146664 /nfs/dbraw/zinc/14/66/64/1128146664.db2.gz JCQQJGKKYVSRHB-PWSUYJOCSA-N 0 1 287.737 3.689 20 0 CHADMN O=C(/C=C\C1CCCC1)Nc1ccccc1-c1cn[nH]c1 ZINC000493745544 1128147941 /nfs/dbraw/zinc/14/79/41/1128147941.db2.gz LIBWJHHGBCDLNP-KTKRTIGZSA-N 0 1 281.359 3.762 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1cnn(C2CCC2)c1 ZINC000926125935 1128155920 /nfs/dbraw/zinc/15/59/20/1128155920.db2.gz AQOZZQZQBDEVIV-NWDGAFQWSA-N 0 1 288.370 3.554 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnn1C1CCC1)c1cncc(F)c1 ZINC000926126343 1128155931 /nfs/dbraw/zinc/15/59/31/1128155931.db2.gz CEBNYNGMGNDPRE-NEPJUHHUSA-N 0 1 288.370 3.554 20 0 CHADMN CCC[C@H](NC[C@@H]1CCC=CO1)c1ncccc1Cl ZINC000926230650 1128161705 /nfs/dbraw/zinc/16/17/05/1128161705.db2.gz GIYZFGCKISLYFU-JSGCOSHPSA-N 0 1 280.799 3.859 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@@H](C)c1cc2ccccc2[nH]1 ZINC000926835219 1128197148 /nfs/dbraw/zinc/19/71/48/1128197148.db2.gz BRZXLOOGWWGZII-WCQYABFASA-N 0 1 280.375 3.678 20 0 CHADMN FC(F)(CN[C@@H](C1CC1)C1CCOCC1)c1ccccc1 ZINC000926259932 1128163945 /nfs/dbraw/zinc/16/39/45/1128163945.db2.gz PLKFZVXIAAACJR-INIZCTEOSA-N 0 1 295.373 3.573 20 0 CHADMN COc1c2ccccc2oc1CN[C@@H](C)C1(Cl)CC1 ZINC000926257558 1128163965 /nfs/dbraw/zinc/16/39/65/1128163965.db2.gz BNMIZQLBXOLPTQ-JTQLQIEISA-N 0 1 279.767 3.691 20 0 CHADMN C[C@@H](c1cccs1)[N@@H+](C)CCOc1ccccc1F ZINC000053428188 1128165607 /nfs/dbraw/zinc/16/56/07/1128165607.db2.gz ZRUNGJIVXXPWAT-LBPRGKRZSA-N 0 1 279.380 3.959 20 0 CHADMN Cc1nonc1[C@H](C)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000926343265 1128167724 /nfs/dbraw/zinc/16/77/24/1128167724.db2.gz PJIJNEMYOQMQDL-WFBYXXMGSA-N 0 1 291.782 3.628 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1ncco1 ZINC000926340507 1128167913 /nfs/dbraw/zinc/16/79/13/1128167913.db2.gz JJWZYUCRKCSEMS-NJZAAPMLSA-N 0 1 274.339 3.801 20 0 CHADMN C[C@H](NCc1cnc2n1CCCC2)c1coc2ccccc12 ZINC000926380264 1128170259 /nfs/dbraw/zinc/17/02/59/1128170259.db2.gz UTEQQMFCRAJHEN-ZDUSSCGKSA-N 0 1 295.386 3.816 20 0 CHADMN C[C@@H](N[C@H](C)C1(Cl)CC1)c1nccn1-c1ccccc1 ZINC000926427826 1128171689 /nfs/dbraw/zinc/17/16/89/1128171689.db2.gz LOTOGAWCTMGFSZ-CHWSQXEVSA-N 0 1 289.810 3.683 20 0 CHADMN COc1ccccc1[C@H](NCCCCF)c1ccccn1 ZINC000926462925 1128173339 /nfs/dbraw/zinc/17/33/39/1128173339.db2.gz GGFOOSDSXFIXQN-KRWDZBQOSA-N 0 1 288.366 3.519 20 0 CHADMN Cc1ccc(C(C)(C)CN[C@@H](C)c2ncco2)c(C)c1 ZINC000926469668 1128173431 /nfs/dbraw/zinc/17/34/31/1128173431.db2.gz OYYPJOONHVVXMW-AWEZNQCLSA-N 0 1 272.392 3.920 20 0 CHADMN CCC[C@@H](NC[C@@H](CC)OC)c1ncccc1Cl ZINC000926462113 1128173487 /nfs/dbraw/zinc/17/34/87/1128173487.db2.gz UYEOMESPQOBUDR-DGCLKSJQSA-N 0 1 270.804 3.591 20 0 CHADMN CCc1noc(C)c1CN[C@@H](C)c1cc2ccccc2[nH]1 ZINC000926482695 1128174701 /nfs/dbraw/zinc/17/47/01/1128174701.db2.gz PJXVIDWWDCLAJR-NSHDSACASA-N 0 1 283.375 3.878 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2NC1CC(Nc2ccccc2)C1 ZINC000926837936 1128197900 /nfs/dbraw/zinc/19/79/00/1128197900.db2.gz PZUXGZPSARNSBB-GPANFISMSA-N 0 1 297.402 3.593 20 0 CHADMN C[C@H](NC[C@H]1CCC[C@H]1c1ccccc1)c1ncco1 ZINC000926502513 1128176495 /nfs/dbraw/zinc/17/64/95/1128176495.db2.gz SRZNBNXAJHBHQX-IMJJTQAJSA-N 0 1 270.376 3.909 20 0 CHADMN Cc1oc2ccccc2c1[C@H](C)NCc1n[nH]c(C(C)C)n1 ZINC000926507216 1128176823 /nfs/dbraw/zinc/17/68/23/1128176823.db2.gz ZNYRHIOOGOYWBF-NSHDSACASA-N 0 1 298.390 3.834 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)CCOCC(F)(F)F ZINC000194311081 1128198064 /nfs/dbraw/zinc/19/80/64/1128198064.db2.gz MXKVXQRBIKFMIK-SNVBAGLBSA-N 0 1 295.732 3.912 20 0 CHADMN Cc1cccc([C@@H](N[C@H](C)CC(C)(C)O)c2ccccn2)c1 ZINC000926512777 1128177939 /nfs/dbraw/zinc/17/79/39/1128177939.db2.gz ODABKRIWPALKIW-CRAIPNDOSA-N 0 1 298.430 3.619 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)c1cn[nH]c1 ZINC000222494589 1128178145 /nfs/dbraw/zinc/17/81/45/1128178145.db2.gz OFXDMNXKYKGFBB-UWVGGRQHSA-N 0 1 283.297 3.840 20 0 CHADMN COC(=O)c1ccc([C@@H](C)N[C@H](C)c2ccc(C)cc2)o1 ZINC000223624238 1128180821 /nfs/dbraw/zinc/18/08/21/1128180821.db2.gz GJEHWUYTMCFRCO-CHWSQXEVSA-N 0 1 287.359 3.786 20 0 CHADMN C[C@H](NCc1cnccc1C(C)(C)C)c1ccns1 ZINC000926581495 1128182168 /nfs/dbraw/zinc/18/21/68/1128182168.db2.gz PJWKDHRXQDYDJB-NSHDSACASA-N 0 1 275.421 3.686 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1cnn(C2CCC2)c1 ZINC000926586534 1128182919 /nfs/dbraw/zinc/18/29/19/1128182919.db2.gz BKHSMRNQOOHEAH-NILFDRSVSA-N 0 1 265.376 3.539 20 0 CHADMN C[C@@H](N[C@H](CO)CCF)c1cc(Cl)cc(Cl)c1F ZINC000926654026 1128186138 /nfs/dbraw/zinc/18/61/38/1128186138.db2.gz ATKMOXMNYIJCGC-APPZFPTMSA-N 0 1 298.160 3.504 20 0 CHADMN Cc1cccc([C@H](N[C@H]2C=CCC2)c2ccccn2)c1 ZINC000926689856 1128187925 /nfs/dbraw/zinc/18/79/25/1128187925.db2.gz MAXPBYQLCCJJBK-WMZOPIPTSA-N 0 1 264.372 3.788 20 0 CHADMN CC[C@H](N[C@H]1CCc2ccc(O)cc21)c1cccc(OC)n1 ZINC000926709031 1128189144 /nfs/dbraw/zinc/18/91/44/1128189144.db2.gz WOADTOWAEQIPGO-HOTGVXAUSA-N 0 1 298.386 3.524 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccc(O)cc21)c1cnn(C2CCC2)c1 ZINC000926708423 1128189253 /nfs/dbraw/zinc/18/92/53/1128189253.db2.gz GUQSZRQCVZFCSF-KPZWWZAWSA-N 0 1 297.402 3.652 20 0 CHADMN CO[C@H](CN[C@H]1CCCc2oc(C)nc21)C1CCCCC1 ZINC000926728788 1128190837 /nfs/dbraw/zinc/19/08/37/1128190837.db2.gz SKRYFLUEUSPVFF-GOEBONIOSA-N 0 1 292.423 3.545 20 0 CHADMN COCc1nc(CN2CCC[C@@H]2CC2CCCC2)cs1 ZINC000653893052 1128191513 /nfs/dbraw/zinc/19/15/13/1128191513.db2.gz SOXFQDYRFRKTID-OAHLLOKOSA-N 0 1 294.464 3.834 20 0 CHADMN C[C@@H]1C[C@H](NCCCCCCc2ccccc2)c2ncnn21 ZINC000926742665 1128191552 /nfs/dbraw/zinc/19/15/52/1128191552.db2.gz AWOSAODLULYDDS-WBVHZDCISA-N 0 1 298.434 3.677 20 0 CHADMN CC(C)n1cc(CN[C@H](C)c2ccc(Cl)cc2)cn1 ZINC000226238001 1128192147 /nfs/dbraw/zinc/19/21/47/1128192147.db2.gz HKHHUGOWVBQRCN-GFCCVEGCSA-N 0 1 277.799 3.968 20 0 CHADMN COc1cccc(CN2CCC[C@H]2c2cc(C)no2)c1C ZINC000929289680 1128268291 /nfs/dbraw/zinc/26/82/91/1128268291.db2.gz YXCLGFQVWBYHJW-HNNXBMFYSA-N 0 1 286.375 3.637 20 0 CHADMN CN(CCCC(C)(F)F)Cc1ccn(-c2ccccc2)n1 ZINC000929296883 1128268396 /nfs/dbraw/zinc/26/83/96/1128268396.db2.gz QOQRVFCUONDKDR-UHFFFAOYSA-N 0 1 293.361 3.740 20 0 CHADMN CC[C@]1(O)CCN([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000495227540 1128246899 /nfs/dbraw/zinc/24/68/99/1128246899.db2.gz YAUSERGVTSARKQ-HZMBPMFUSA-N 0 1 288.218 3.901 20 0 CHADMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)C1CCCC1 ZINC000777702259 1128247136 /nfs/dbraw/zinc/24/71/36/1128247136.db2.gz RESJOOUKBBWLTA-LBPRGKRZSA-N 0 1 264.388 3.878 20 0 CHADMN CCN(Cc1cccs1)[C@@H](C)c1cnc(C)nc1C ZINC000637872693 1128257406 /nfs/dbraw/zinc/25/74/06/1128257406.db2.gz RQKXUDPESUTQHP-LBPRGKRZSA-N 0 1 275.421 3.738 20 0 CHADMN CCc1ncc(CN(C)[C@H]2CCCc3ccccc32)o1 ZINC000929128434 1128259358 /nfs/dbraw/zinc/25/93/58/1128259358.db2.gz BDHPRFCGJFVSTL-INIZCTEOSA-N 0 1 270.376 3.746 20 0 CHADMN Cc1nnsc1[C@H](C)N1CCC[C@@H]1c1cccs1 ZINC000929130546 1128259708 /nfs/dbraw/zinc/25/97/08/1128259708.db2.gz AZLQOWSDKFSSLZ-WDEREUQCSA-N 0 1 279.434 3.806 20 0 CHADMN Cc1ccc(NC(=O)c2ccc(CN3CCCCC3)o2)cc1 ZINC000929133581 1128260195 /nfs/dbraw/zinc/26/01/95/1128260195.db2.gz PTGTYYOGLXSSIE-UHFFFAOYSA-N 0 1 298.386 3.826 20 0 CHADMN C(c1nc2c(s1)CCCC2)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000648762080 1128263170 /nfs/dbraw/zinc/26/31/70/1128263170.db2.gz MFWRMXNLHHNAMR-CXAGYDPISA-N 0 1 288.460 3.642 20 0 CHADMN Cc1ccc(O[C@H]2CN3CCC2CC3)c(Cl)c1Cl ZINC001234928851 1128263560 /nfs/dbraw/zinc/26/35/60/1128263560.db2.gz BAVBZMVDLSHWIK-LBPRGKRZSA-N 0 1 286.202 3.775 20 0 CHADMN Fc1c(Cl)cc(Cl)cc1O[C@H]1CN2CCC1CC2 ZINC001234928537 1128263700 /nfs/dbraw/zinc/26/37/00/1128263700.db2.gz CMWHMTSJWCSZTF-LBPRGKRZSA-N 0 1 290.165 3.606 20 0 CHADMN CC[C@@H](N[C@H](c1ccccn1)C1CC1)c1cccc(OC)n1 ZINC000926895492 1128200400 /nfs/dbraw/zinc/20/04/00/1128200400.db2.gz XATXVQCFEHXLPX-KDOFPFPSSA-N 0 1 297.402 3.677 20 0 CHADMN CCCc1csc(CN[C@@H](C)CC(F)(F)F)n1 ZINC000494843801 1128204692 /nfs/dbraw/zinc/20/46/92/1128204692.db2.gz BRJNOLXQDNAMNE-QMMMGPOBSA-N 0 1 266.332 3.526 20 0 CHADMN CCCc1csc(CN[C@@H]2C[C@H](OC(C)C)C2(C)C)n1 ZINC000494842935 1128205142 /nfs/dbraw/zinc/20/51/42/1128205142.db2.gz VNXVNEVKXATVQP-KGLIPLIRSA-N 0 1 296.480 3.777 20 0 CHADMN COc1ccc([C@H](C)NCc2ncc(C)cc2C)cc1F ZINC000926955518 1128205903 /nfs/dbraw/zinc/20/59/03/1128205903.db2.gz SJJWVJFMSLQPNF-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN Cc1cc([C@@H](C)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)no1 ZINC000926974211 1128207203 /nfs/dbraw/zinc/20/72/03/1128207203.db2.gz RQVNNUULQNPXSW-UXIGCNINSA-N 0 1 292.329 3.683 20 0 CHADMN Cc1cc([C@H](C)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)no1 ZINC000926974209 1128207695 /nfs/dbraw/zinc/20/76/95/1128207695.db2.gz RQVNNUULQNPXSW-NJZAAPMLSA-N 0 1 292.329 3.683 20 0 CHADMN C[C@@]1(CN[C@@H](c2ccccc2)c2ccccn2)CCCCO1 ZINC000927023125 1128208870 /nfs/dbraw/zinc/20/88/70/1128208870.db2.gz UJDVOJODQZJVQB-OALUTQOASA-N 0 1 296.414 3.720 20 0 CHADMN CCC[C@H](O)CCN[C@H](c1cccc(C)c1)c1ccccn1 ZINC000927025287 1128209002 /nfs/dbraw/zinc/20/90/02/1128209002.db2.gz XZUQGIPCJQZTOX-PKOBYXMFSA-N 0 1 298.430 3.620 20 0 CHADMN COc1ccc([C@H](C)N[C@H]2CCCc3cccnc32)cc1O ZINC000927063977 1128213068 /nfs/dbraw/zinc/21/30/68/1128213068.db2.gz MYFFYZYWXPDWDS-WFASDCNBSA-N 0 1 298.386 3.524 20 0 CHADMN CCC[C@@H](NCc1cc(C2CC2)nn1C)c1cc(C)ccn1 ZINC000927101036 1128217401 /nfs/dbraw/zinc/21/74/01/1128217401.db2.gz ORZYZVMDAJLWJL-MRXNPFEDSA-N 0 1 298.434 3.632 20 0 CHADMN CC[C@H](NCc1cc(C2CC2)nn1C)c1ccsc1 ZINC000927101597 1128217522 /nfs/dbraw/zinc/21/75/22/1128217522.db2.gz TXKWWPWMXCIBFD-AWEZNQCLSA-N 0 1 275.421 3.600 20 0 CHADMN C(=C/c1ccncc1)\CN1CCCC[C@@H]1c1ccco1 ZINC000494964051 1128217879 /nfs/dbraw/zinc/21/78/79/1128217879.db2.gz LWSLPUURPPLZTJ-LLCTXKFZSA-N 0 1 268.360 3.915 20 0 CHADMN Cn1nc(CN[C@H](c2ccccc2)C2CC2)cc1C1CC1 ZINC000927108732 1128218426 /nfs/dbraw/zinc/21/84/26/1128218426.db2.gz PCWDVJIXFSFDRD-GOSISDBHSA-N 0 1 281.403 3.538 20 0 CHADMN CCOc1ccc(CN2CCS[C@@H](C)[C@H]2C)cc1F ZINC000494986550 1128219690 /nfs/dbraw/zinc/21/96/90/1128219690.db2.gz QKEITYRQLVQCGO-NEPJUHHUSA-N 0 1 283.412 3.550 20 0 CHADMN C[C@@H]1C[N@@H+](C/C=C\c2ccncc2)[C@@H]1c1ccccc1 ZINC000494979026 1128221115 /nfs/dbraw/zinc/22/11/15/1128221115.db2.gz WMJZVIIQOZLVFZ-XSRQRWQSSA-N 0 1 264.372 3.788 20 0 CHADMN CCc1onc(C)c1CN[C@@H]1C[C@@H](C)c2ccccc21 ZINC000927135375 1128221412 /nfs/dbraw/zinc/22/14/12/1128221412.db2.gz RWQWKMWRHMCOJT-BDJLRTHQSA-N 0 1 270.376 3.884 20 0 CHADMN CC[N@@H+](C/C=C\c1ccncc1)Cc1cccs1 ZINC000495058485 1128226834 /nfs/dbraw/zinc/22/68/34/1128226834.db2.gz JSZSKDPTXDPPCR-HYXAFXHYSA-N 0 1 258.390 3.678 20 0 CHADMN CN(C/C=C/c1ccncc1)Cc1ccc(Cl)s1 ZINC000495079937 1128228989 /nfs/dbraw/zinc/22/89/89/1128228989.db2.gz PFZDUWCNMQMTFC-NSCUHMNNSA-N 0 1 278.808 3.942 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N(C)C[C@H]1CCSC1 ZINC000495090467 1128230763 /nfs/dbraw/zinc/23/07/63/1128230763.db2.gz IDJAFBXGFJDZCJ-WDEREUQCSA-N 0 1 271.376 3.711 20 0 CHADMN CSc1ccc(F)c(O[C@H]2CCN(C(C)C)C2)c1F ZINC001234935056 1128267444 /nfs/dbraw/zinc/26/74/44/1128267444.db2.gz MQRADIATXUZCFK-JTQLQIEISA-N 0 1 287.375 3.548 20 0 CHADMN CC[C@H]1c2ccsc2CC[N@@H+]1Cc1[nH]c(C)nc1C ZINC000929273186 1128267587 /nfs/dbraw/zinc/26/75/87/1128267587.db2.gz ANVBARRVFLATQX-AWEZNQCLSA-N 0 1 275.421 3.597 20 0 CHADMN CC[C@H]1c2ccsc2CCN1Cc1[nH]c(C)nc1C ZINC000929273186 1128267590 /nfs/dbraw/zinc/26/75/90/1128267590.db2.gz ANVBARRVFLATQX-AWEZNQCLSA-N 0 1 275.421 3.597 20 0 CHADMN CCC(CC)[C@H](C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000761820951 1128236523 /nfs/dbraw/zinc/23/65/23/1128236523.db2.gz LQUGNJLBSUWDMU-LBPRGKRZSA-N 0 1 294.414 3.898 20 0 CHADMN CCCC[C@H](C(=O)NCc1ccc2nc[nH]c2c1)C(C)C ZINC000622085291 1129226986 /nfs/dbraw/zinc/22/69/86/1129226986.db2.gz UYLHQEMIRHAFGR-AWEZNQCLSA-N 0 1 287.407 3.642 20 0 CHADMN Cc1cccc2nc(CCC(=O)NCC3CCCCC3)[nH]c21 ZINC000495173119 1128240815 /nfs/dbraw/zinc/24/08/15/1128240815.db2.gz KDSMRPMIQGMMFS-UHFFFAOYSA-N 0 1 299.418 3.500 20 0 CHADMN CC(C)CCN(CCC(C)C)Cn1cccnc1=S ZINC000914782562 1128243064 /nfs/dbraw/zinc/24/30/64/1128243064.db2.gz HVBFHADFVGVHEN-UHFFFAOYSA-N 0 1 281.469 3.964 20 0 CHADMN C[C@@H]1CN(CCCC(C)(F)F)C[C@@H](c2ccccc2)O1 ZINC000929345774 1128270978 /nfs/dbraw/zinc/27/09/78/1128270978.db2.gz UHYJIQMQQNOQLA-HIFRSBDPSA-N 0 1 283.362 3.884 20 0 CHADMN Cc1nnsc1[C@H](C)N1CC[C@@H](c2ccccc2F)C1 ZINC000929599933 1128278510 /nfs/dbraw/zinc/27/85/10/1128278510.db2.gz VPKAWGJYSFAGMH-NWDGAFQWSA-N 0 1 291.395 3.536 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2C2CC2)cnc1Br ZINC000929511799 1128275783 /nfs/dbraw/zinc/27/57/83/1128275783.db2.gz ZZUCCAZLBJBQSR-CYBMUJFWSA-N 0 1 295.224 3.527 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CC[C@H](c2ccccc2F)C1 ZINC000929597025 1128278269 /nfs/dbraw/zinc/27/82/69/1128278269.db2.gz CVGTYHIMCSPYJM-OCCSQVGLSA-N 0 1 288.341 3.910 20 0 CHADMN Cc1nnsc1[C@@H](C)N1CC[C@@H](c2ccccc2F)C1 ZINC000929599935 1128278316 /nfs/dbraw/zinc/27/83/16/1128278316.db2.gz VPKAWGJYSFAGMH-VXGBXAGGSA-N 0 1 291.395 3.536 20 0 CHADMN Cc1cc(CN(Cc2ccc(F)cc2)CC2CC2)c(C)nn1 ZINC000929657171 1128280131 /nfs/dbraw/zinc/28/01/31/1128280131.db2.gz ULAPIVGXBIALPQ-UHFFFAOYSA-N 0 1 299.393 3.645 20 0 CHADMN CC(C)(C)c1nc(CN2CCC[C@H]3CCC[C@@H]32)co1 ZINC000929713561 1128283394 /nfs/dbraw/zinc/28/33/94/1128283394.db2.gz UEDPUMRPFNNLDN-OCCSQVGLSA-N 0 1 262.397 3.737 20 0 CHADMN CC(C)(C)c1nc(CN2CCC[C@H]3CCC[C@H]32)co1 ZINC000929713562 1128283599 /nfs/dbraw/zinc/28/35/99/1128283599.db2.gz UEDPUMRPFNNLDN-TZMCWYRMSA-N 0 1 262.397 3.737 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2cc(C)nnc2C)o1 ZINC000929760651 1128285319 /nfs/dbraw/zinc/28/53/19/1128285319.db2.gz VHPBDBKJRGNOCF-YVEFUNNKSA-N 0 1 299.418 3.968 20 0 CHADMN CC(F)(F)CCCN1CCc2[nH]c3ccccc3c2C1 ZINC000929966769 1128295512 /nfs/dbraw/zinc/29/55/12/1128295512.db2.gz HMMCQHJNQKEKMF-UHFFFAOYSA-N 0 1 278.346 3.961 20 0 CHADMN Cc1cc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c(C)nn1 ZINC000929890024 1128291982 /nfs/dbraw/zinc/29/19/82/1128291982.db2.gz LVTUAYNNUQZMHQ-LJQANCHMSA-N 0 1 293.414 3.745 20 0 CHADMN CCN(Cc1ccccc1Cl)C[C@H](O)c1ccccc1 ZINC000915218922 1128292991 /nfs/dbraw/zinc/29/29/91/1128292991.db2.gz AYWDIIFJNKRYDW-KRWDZBQOSA-N 0 1 289.806 3.896 20 0 CHADMN C[C@H](NC[C@H]1CCCC[C@H]1C)c1nc(C(C)(C)C)no1 ZINC000262434371 1128293518 /nfs/dbraw/zinc/29/35/18/1128293518.db2.gz UDPWXJIAAJMFMD-FRRDWIJNSA-N 0 1 279.428 3.844 20 0 CHADMN FC(F)(F)C1=CCN(C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000930099414 1128300464 /nfs/dbraw/zinc/30/04/64/1128300464.db2.gz NWCCSPRDKPXFBU-ZDUSSCGKSA-N 0 1 289.341 3.673 20 0 CHADMN CC(F)(F)CCC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000930088188 1128300710 /nfs/dbraw/zinc/30/07/10/1128300710.db2.gz VWPSHKWYZMBLHN-QGZVFWFLSA-N 0 1 295.373 3.596 20 0 CHADMN CC(F)(F)CCCN1CCO[C@]2(CCc3ccccc32)C1 ZINC000930088188 1128300714 /nfs/dbraw/zinc/30/07/14/1128300714.db2.gz VWPSHKWYZMBLHN-QGZVFWFLSA-N 0 1 295.373 3.596 20 0 CHADMN Cc1cn(C)nc1CN[C@H](c1ccccc1)C1CCCC1 ZINC000929972876 1128296338 /nfs/dbraw/zinc/29/63/38/1128296338.db2.gz HWCORMYONBNLLS-GOSISDBHSA-N 0 1 283.419 3.750 20 0 CHADMN c1ccc2oc([C@H]3CCCCN3CCOC3CC3)nc2c1 ZINC000930039879 1128298881 /nfs/dbraw/zinc/29/88/81/1128298881.db2.gz YZPHEMKCZGQOGZ-OAHLLOKOSA-N 0 1 286.375 3.534 20 0 CHADMN C[C@H](c1cccnc1)[N@@H+](C)Cc1ccccc1CF ZINC000930118388 1128302831 /nfs/dbraw/zinc/30/28/31/1128302831.db2.gz FIYJAWODZIEETI-CYBMUJFWSA-N 0 1 258.340 3.744 20 0 CHADMN C[C@H](c1cccnc1)N(C)Cc1ccccc1CF ZINC000930118388 1128302835 /nfs/dbraw/zinc/30/28/35/1128302835.db2.gz FIYJAWODZIEETI-CYBMUJFWSA-N 0 1 258.340 3.744 20 0 CHADMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1coc(C(C)(C)C)n1 ZINC000930176216 1128304701 /nfs/dbraw/zinc/30/47/01/1128304701.db2.gz WRFFSBAOVSLNKL-DGCLKSJQSA-N 0 1 250.386 3.735 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1coc(C(C)(C)C)n1 ZINC000930176216 1128304705 /nfs/dbraw/zinc/30/47/05/1128304705.db2.gz WRFFSBAOVSLNKL-DGCLKSJQSA-N 0 1 250.386 3.735 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(C)cc(C)n2)cc1F ZINC000930186560 1128305358 /nfs/dbraw/zinc/30/53/58/1128305358.db2.gz ZUZQMWSMXOIGKB-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN CCOc1ccccc1[C@@H](CC)NCc1[nH]c(C)nc1C ZINC000930200353 1128306242 /nfs/dbraw/zinc/30/62/42/1128306242.db2.gz GSNYDIJAUAJNEU-OAHLLOKOSA-N 0 1 287.407 3.666 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2cc(C)cc(C)n2)c1 ZINC000930209744 1128307376 /nfs/dbraw/zinc/30/73/76/1128307376.db2.gz CMFJEJNSNJUZRB-OAHLLOKOSA-N 0 1 284.403 3.948 20 0 CHADMN Cc1cc(CNC(C)(C)c2cccc(Cl)c2)c(C)nn1 ZINC000930223332 1128308729 /nfs/dbraw/zinc/30/87/29/1128308729.db2.gz VGJUZGVHBWXBAF-UHFFFAOYSA-N 0 1 289.810 3.772 20 0 CHADMN C[C@@H]1CCN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@H]1F ZINC000930245972 1128309747 /nfs/dbraw/zinc/30/97/47/1128309747.db2.gz XIGCCJWPLHMBIJ-NMFUWQPSSA-N 0 1 283.337 3.715 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(F)nc1)c1ccsc1 ZINC000930344986 1128314333 /nfs/dbraw/zinc/31/43/33/1128314333.db2.gz HKZFSIDNMQAEGA-VHSXEESVSA-N 0 1 250.342 3.694 20 0 CHADMN CCS[C@H]1CCC[C@H]1NCc1coc(C(C)(C)C)n1 ZINC000930437769 1128318497 /nfs/dbraw/zinc/31/84/97/1128318497.db2.gz BFLTYTAAAZJBNS-OLZOCXBDSA-N 0 1 282.453 3.736 20 0 CHADMN C[C@H]1CC/C(=C/C(=O)Nc2cccc(Cl)c2O)C1 ZINC000762804183 1128319040 /nfs/dbraw/zinc/31/90/40/1128319040.db2.gz GEDHKFHWTMEKGG-CUQRQBARSA-N 0 1 265.740 3.731 20 0 CHADMN O=C(OCCc1cccs1)c1ccc(O)c(Cl)c1 ZINC000762821130 1128319660 /nfs/dbraw/zinc/31/96/60/1128319660.db2.gz BTKINVNALUIJJH-UHFFFAOYSA-N 0 1 282.748 3.507 20 0 CHADMN CS[C@H]1CCN(Cc2nc(C)c(C(C)(C)C)s2)C1 ZINC000930608981 1128326957 /nfs/dbraw/zinc/32/69/57/1128326957.db2.gz AHXMIEXZUUAHOQ-NSHDSACASA-N 0 1 284.494 3.686 20 0 CHADMN CC(C)O[C@@H]1C[C@H](NCc2coc(C(C)(C)C)n2)C1(C)C ZINC000930627108 1128328637 /nfs/dbraw/zinc/32/86/37/1128328637.db2.gz CKGQHJILZDEZFZ-UONOGXRCSA-N 0 1 294.439 3.654 20 0 CHADMN O=C(C[N@H+]1CCC2(CCC2)C1)Nc1cccc2ccccc21 ZINC000123361567 1128412563 /nfs/dbraw/zinc/41/25/63/1128412563.db2.gz RQQIZVMXXFXTPH-UHFFFAOYSA-N 0 1 294.398 3.654 20 0 CHADMN O=C(CN1CCC2(CCC2)C1)Nc1cccc2ccccc21 ZINC000123361567 1128412565 /nfs/dbraw/zinc/41/25/65/1128412565.db2.gz RQQIZVMXXFXTPH-UHFFFAOYSA-N 0 1 294.398 3.654 20 0 CHADMN CCCCN(C(=O)c1cc(C)[nH]n1)[C@H]1CCC[C@H](C)C1 ZINC000561597995 1128339910 /nfs/dbraw/zinc/33/99/10/1128339910.db2.gz FBKYKPPOIJKHQP-JSGCOSHPSA-N 0 1 277.412 3.539 20 0 CHADMN CC[C@@H]1CCCCN1Cc1nccc(C)c1Cl ZINC001235586701 1128342215 /nfs/dbraw/zinc/34/22/15/1128342215.db2.gz VFSSXLNNADAGHC-GFCCVEGCSA-N 0 1 252.789 3.808 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)C(C1CC1)C1CC1 ZINC000561656785 1128344788 /nfs/dbraw/zinc/34/47/88/1128344788.db2.gz GRTIUJYHOHTHGS-UHFFFAOYSA-N 0 1 283.730 3.559 20 0 CHADMN Cc1cc(C)nc(CN[C@@H](C)c2ccc3c(c2)CCCO3)c1 ZINC000931081219 1128346443 /nfs/dbraw/zinc/34/64/43/1128346443.db2.gz XGLCSMDVIYGVGZ-HNNXBMFYSA-N 0 1 296.414 3.874 20 0 CHADMN Cc1c(CN(C)Cc2cc3ccccc3s2)cnn1C ZINC000562605111 1128413432 /nfs/dbraw/zinc/41/34/32/1128413432.db2.gz UZZWNABTVDZQDT-UHFFFAOYSA-N 0 1 285.416 3.575 20 0 CHADMN CN(C)[C@H](CNc1nc2ccccc2o1)c1ccsc1 ZINC000026720435 1128350158 /nfs/dbraw/zinc/35/01/58/1128350158.db2.gz ZBBDIRAVNQEMFY-CYBMUJFWSA-N 0 1 287.388 3.604 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cnc(F)cc1C ZINC001203520248 1128350465 /nfs/dbraw/zinc/35/04/65/1128350465.db2.gz OZSPJJPTYCUFRM-UHFFFAOYSA-N 0 1 283.306 3.830 20 0 CHADMN CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000561793655 1128353883 /nfs/dbraw/zinc/35/38/83/1128353883.db2.gz JQQSIKCBJMJKSN-NSHDSACASA-N 0 1 252.789 3.603 20 0 CHADMN Cc1cn(C)nc1CN[C@H](c1cccc(C)c1)C(C)C ZINC000931255453 1128354086 /nfs/dbraw/zinc/35/40/86/1128354086.db2.gz HMGIYSWJJZDOCI-KRWDZBQOSA-N 0 1 271.408 3.524 20 0 CHADMN CC[C@H](C)NC(=O)[C@H](C)N(C)Cc1ccc(C(C)C)cc1 ZINC000561807139 1128355295 /nfs/dbraw/zinc/35/52/95/1128355295.db2.gz AQVGXKSOJBIBDV-GJZGRUSLSA-N 0 1 290.451 3.545 20 0 CHADMN CC[C@H](C)NC(=O)[C@@H](C)N(C)Cc1ccc(C(C)C)cc1 ZINC000561807141 1128355360 /nfs/dbraw/zinc/35/53/60/1128355360.db2.gz AQVGXKSOJBIBDV-LSDHHAIUSA-N 0 1 290.451 3.545 20 0 CHADMN CC1(CC(=O)Nc2cccc(Cl)c2O)CCCC1 ZINC000561964045 1128365928 /nfs/dbraw/zinc/36/59/28/1128365928.db2.gz QOSXBDGYOWSYDB-UHFFFAOYSA-N 0 1 267.756 3.955 20 0 CHADMN CC(C)C(N)=NOCc1c(Cl)cccc1Cl ZINC000763205474 1128375852 /nfs/dbraw/zinc/37/58/52/1128375852.db2.gz JDZFWTYGKRJDPO-UHFFFAOYSA-N 0 1 261.152 3.648 20 0 CHADMN COc1ccc([C@H](C)NCc2cnc(Cl)s2)cc1C ZINC000932575211 1128415858 /nfs/dbraw/zinc/41/58/58/1128415858.db2.gz XUCHMJQNSLOXIN-JTQLQIEISA-N 0 1 296.823 3.964 20 0 CHADMN CN(Cc1ccco1)Cc1ccc(OC(F)(F)F)cc1 ZINC000055955307 1128378660 /nfs/dbraw/zinc/37/86/60/1128378660.db2.gz NYGQFXDQTDBRGO-UHFFFAOYSA-N 0 1 285.265 3.810 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2cnc(C)cn2)cc1C ZINC000932570188 1128416118 /nfs/dbraw/zinc/41/61/18/1128416118.db2.gz NBYXLSGHASJUIK-KBPBESRZSA-N 0 1 285.391 3.514 20 0 CHADMN C[C@H](c1ccncc1)[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931914087 1128387234 /nfs/dbraw/zinc/38/72/34/1128387234.db2.gz JELNQRHVIBKIHF-ZYHUDNBSSA-N 0 1 288.288 3.509 20 0 CHADMN Cc1cccnc1C(C)(C)CNc1ccnc(C)c1Cl ZINC000562241873 1128389218 /nfs/dbraw/zinc/38/92/18/1128389218.db2.gz FXMKIDPAFGVWLH-UHFFFAOYSA-N 0 1 289.810 3.558 20 0 CHADMN C[C@H]1CC(CNc2noc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000562245258 1128390150 /nfs/dbraw/zinc/39/01/50/1128390150.db2.gz FNJPFMQGEKBWDM-UWVGGRQHSA-N 0 1 294.782 3.519 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Cl)cn2)CC12CCC2 ZINC000562268584 1128391952 /nfs/dbraw/zinc/39/19/52/1128391952.db2.gz PQPRZZGYTPECDH-LBPRGKRZSA-N 0 1 264.800 3.747 20 0 CHADMN C[C@H](C[C@@H]1CCOC1)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000798936963 1128392225 /nfs/dbraw/zinc/39/22/25/1128392225.db2.gz IXSVONZGPLSFRC-OLZOCXBDSA-N 0 1 296.842 3.629 20 0 CHADMN Cc1ncsc1CN[C@@H]1CCc2c1cc(F)cc2F ZINC000154662130 1128393959 /nfs/dbraw/zinc/39/39/59/1128393959.db2.gz BXPFEWPQMKZONH-CYBMUJFWSA-N 0 1 280.343 3.507 20 0 CHADMN CC(C)(C)OC[C@@H]1CCCN1Cc1ccc(Cl)cn1 ZINC000932168614 1128398209 /nfs/dbraw/zinc/39/82/09/1128398209.db2.gz PYORPVSLAFJHDD-AWEZNQCLSA-N 0 1 282.815 3.515 20 0 CHADMN CC(C)[N@H+](Cc1ncccc1[O-])[C@@H](C)c1ccccc1 ZINC000562386431 1128399906 /nfs/dbraw/zinc/39/99/06/1128399906.db2.gz CEZFZVIGSIKPFK-AWEZNQCLSA-N 0 1 270.376 3.759 20 0 CHADMN CC(C)[N@@H+](Cc1ncccc1[O-])[C@@H](C)c1ccccc1 ZINC000562386431 1128399910 /nfs/dbraw/zinc/39/99/10/1128399910.db2.gz CEZFZVIGSIKPFK-AWEZNQCLSA-N 0 1 270.376 3.759 20 0 CHADMN Cn1nccc1[C@@H]1CCCN1Cc1cc2ccccc2o1 ZINC000932269829 1128401963 /nfs/dbraw/zinc/40/19/63/1128401963.db2.gz NDLFRSBCNLGEBD-INIZCTEOSA-N 0 1 281.359 3.503 20 0 CHADMN COc1cccc(CN[C@@H](c2ccccn2)C2CC2)c1C ZINC000932387424 1128407301 /nfs/dbraw/zinc/40/73/01/1128407301.db2.gz XXKOTUPYGPPOEG-GOSISDBHSA-N 0 1 282.387 3.640 20 0 CHADMN Cc1nc(C)c(CN(Cc2cccc(F)c2)C2CCC2)o1 ZINC000932404135 1128408641 /nfs/dbraw/zinc/40/86/41/1128408641.db2.gz VXXZFSHQHJASSX-UHFFFAOYSA-N 0 1 288.366 3.985 20 0 CHADMN COC(=O)c1cccc(CN2Cc3ccccc3[C@@H](C)C2)c1 ZINC000916152529 1128410075 /nfs/dbraw/zinc/41/00/75/1128410075.db2.gz TTWJIHRWEFEWAO-AWEZNQCLSA-N 0 1 295.382 3.593 20 0 CHADMN CC[C@@H](NCc1cccc(N)c1)c1cc(F)ccc1OC ZINC000932470881 1128411948 /nfs/dbraw/zinc/41/19/48/1128411948.db2.gz ZCZPERFSNCOCIV-MRXNPFEDSA-N 0 1 288.366 3.657 20 0 CHADMN C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccc(F)c1Cl ZINC000124315424 1128443364 /nfs/dbraw/zinc/44/33/64/1128443364.db2.gz VHMKWQXEMQZUHQ-GXTWGEPZSA-N 0 1 299.817 3.995 20 0 CHADMN OC1(C2CCC2)CCN(Cc2ccc(Cl)s2)CC1 ZINC000932817634 1128422759 /nfs/dbraw/zinc/42/27/59/1128422759.db2.gz IOCWXTBRFBLMHU-UHFFFAOYSA-N 0 1 285.840 3.529 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)C[C@H](O)c2ccccc2)cs1 ZINC000763396922 1128431290 /nfs/dbraw/zinc/43/12/90/1128431290.db2.gz FTUSMVWKLZELPS-MKBNYLNASA-N 0 1 290.432 3.614 20 0 CHADMN CC[C@@H]1CN(CCCOc2c(C)cccc2C)C[C@H](C)O1 ZINC000496982369 1128434883 /nfs/dbraw/zinc/43/48/83/1128434883.db2.gz JHZQHIJVSWOEPW-DLBZAZTESA-N 0 1 291.435 3.572 20 0 CHADMN COc1ccc([C@@H](C)NCc2cncc(Cl)c2)cc1C ZINC000933484362 1128436158 /nfs/dbraw/zinc/43/61/58/1128436158.db2.gz ICYZKRMZDBQAKA-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CCc1nnc(CN2CCC(C)(C)[C@H](c3ccccc3)C2)o1 ZINC000933522589 1128437152 /nfs/dbraw/zinc/43/71/52/1128437152.db2.gz KEHIIFPNXJICFT-HNNXBMFYSA-N 0 1 299.418 3.648 20 0 CHADMN Cc1cc(C(=O)CN(Cc2ccccc2)C(C)C)c(C)n1C ZINC000062653905 1128440704 /nfs/dbraw/zinc/44/07/04/1128440704.db2.gz OVJYMLDXCTYMAS-UHFFFAOYSA-N 0 1 298.430 3.735 20 0 CHADMN COc1ccc2oc(CN[C@H](C)c3cccc(O)c3)cc2c1 ZINC000125019024 1128447426 /nfs/dbraw/zinc/44/74/26/1128447426.db2.gz KRKAMNNEEGFLFF-GFCCVEGCSA-N 0 1 297.354 3.998 20 0 CHADMN CC[C@H]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000125202278 1128448335 /nfs/dbraw/zinc/44/83/35/1128448335.db2.gz BDUQWWRNLYSQMY-NSHDSACASA-N 0 1 291.782 3.622 20 0 CHADMN CCSc1cc(CNCc2ccc(Cl)nc2)ccn1 ZINC000778209339 1128448346 /nfs/dbraw/zinc/44/83/46/1128448346.db2.gz NPXMFWGKENGFGG-UHFFFAOYSA-N 0 1 293.823 3.532 20 0 CHADMN C[C@]1(CN(Cc2ccoc2)C2CC2)CC1(Cl)Cl ZINC000934004270 1128449206 /nfs/dbraw/zinc/44/92/06/1128449206.db2.gz MZAPIMOKDLLXTD-GFCCVEGCSA-N 0 1 274.191 3.828 20 0 CHADMN CC[C@H]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000125326620 1128449223 /nfs/dbraw/zinc/44/92/23/1128449223.db2.gz BWTQHRFPZMIKBN-NSHDSACASA-N 0 1 291.782 3.622 20 0 CHADMN O=c1[nH]c2ccccc2cc1CN(Cc1ccoc1)C1CC1 ZINC000934005775 1128449341 /nfs/dbraw/zinc/44/93/41/1128449341.db2.gz AYHDJZIEEXBZDP-UHFFFAOYSA-N 0 1 294.354 3.698 20 0 CHADMN CC[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000125695270 1128451959 /nfs/dbraw/zinc/45/19/59/1128451959.db2.gz DLXQLHBICPHJLC-AWEZNQCLSA-N 0 1 270.376 3.882 20 0 CHADMN CCC[C@](C)(NCc1conc1C)c1ccccc1 ZINC000934179593 1128453175 /nfs/dbraw/zinc/45/31/75/1128453175.db2.gz HLYZPSLSBTWENR-INIZCTEOSA-N 0 1 258.365 3.788 20 0 CHADMN CCC[C@@](C)(NCc1nn(C)cc1C)c1ccccc1 ZINC000934180381 1128453358 /nfs/dbraw/zinc/45/33/58/1128453358.db2.gz PEKVOBFYRRBRCJ-QGZVFWFLSA-N 0 1 271.408 3.534 20 0 CHADMN Cc1ccc2ncc(CN[C@H](C)c3cncs3)cc2c1 ZINC000934193730 1128453604 /nfs/dbraw/zinc/45/36/04/1128453604.db2.gz MGUGHKMOEUSYRS-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1ccc(CN[C@H](c2ncccc2C)C(C)(C)C)nc1 ZINC000934290908 1128456775 /nfs/dbraw/zinc/45/67/75/1128456775.db2.gz JCSIXDFHJORPPX-QGZVFWFLSA-N 0 1 283.419 3.970 20 0 CHADMN COc1ccc(CN[C@H](c2ncccc2C)C(C)(C)C)cn1 ZINC000934291797 1128456778 /nfs/dbraw/zinc/45/67/78/1128456778.db2.gz SVXCGZUEGKDTJK-QGZVFWFLSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1cccnc1[C@H](NCc1cncc(F)c1)C(C)(C)C ZINC000934289754 1128456872 /nfs/dbraw/zinc/45/68/72/1128456872.db2.gz QRFGVYBWOMWOBJ-INIZCTEOSA-N 0 1 287.382 3.801 20 0 CHADMN C[C@H](c1cc2ccccc2o1)N(C)Cc1ccc(CO)o1 ZINC000126020605 1128460298 /nfs/dbraw/zinc/46/02/98/1128460298.db2.gz MPYMNFFRANHBFB-GFCCVEGCSA-N 0 1 285.343 3.711 20 0 CHADMN c1oc(-c2ccccc2)nc1CN[C@H]1CCOC12CCCC2 ZINC000934393741 1128459888 /nfs/dbraw/zinc/45/98/88/1128459888.db2.gz DMLWCJMYPFMKON-INIZCTEOSA-N 0 1 298.386 3.533 20 0 CHADMN Cc1nn(C)cc1CN(C)[C@H](C)c1cc2ccccc2o1 ZINC000126006913 1128460040 /nfs/dbraw/zinc/46/00/40/1128460040.db2.gz JXYFHWIENFTRRH-CYBMUJFWSA-N 0 1 283.375 3.668 20 0 CHADMN CC[N@@H+](C)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000126263491 1128462292 /nfs/dbraw/zinc/46/22/92/1128462292.db2.gz BDFUGLCNJGMLJT-UHFFFAOYSA-N 0 1 291.826 3.653 20 0 CHADMN COc1cc([C@@H](C)NCc2n[nH]cc2C)cc2ccccc21 ZINC000934630310 1128464818 /nfs/dbraw/zinc/46/48/18/1128464818.db2.gz LMHUEBQNRCECIQ-CYBMUJFWSA-N 0 1 295.386 3.731 20 0 CHADMN CCCC1CCC(NC(=O)c2n[nH]c3ccccc32)CC1 ZINC000065680465 1128464938 /nfs/dbraw/zinc/46/49/38/1128464938.db2.gz GENLFLVQUSHCPB-UHFFFAOYSA-N 0 1 285.391 3.652 20 0 CHADMN Fc1ccc(F)c(CN[C@@H](c2ccncc2)C2CC2)c1 ZINC000934685703 1128466407 /nfs/dbraw/zinc/46/64/07/1128466407.db2.gz CSWYCWVAZHNNSK-MRXNPFEDSA-N 0 1 274.314 3.601 20 0 CHADMN CC[C@H]1CN(Cc2csc3ccccc23)CCO1 ZINC000066420669 1128474061 /nfs/dbraw/zinc/47/40/61/1128474061.db2.gz ZZJQGBJJTYMSHG-ZDUSSCGKSA-N 0 1 261.390 3.512 20 0 CHADMN CC[C@@H]1CN(Cc2csc3ccccc23)CCO1 ZINC000066420667 1128474221 /nfs/dbraw/zinc/47/42/21/1128474221.db2.gz ZZJQGBJJTYMSHG-CYBMUJFWSA-N 0 1 261.390 3.512 20 0 CHADMN C[N@@H+](Cc1cncs1)Cc1cccc2ccccc21 ZINC000127283768 1128475016 /nfs/dbraw/zinc/47/50/16/1128475016.db2.gz RALKXZLFXKDXIU-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN CN(Cc1cncs1)Cc1cccc2ccccc21 ZINC000127283768 1128475018 /nfs/dbraw/zinc/47/50/18/1128475018.db2.gz RALKXZLFXKDXIU-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN CN(C/C=C\Cl)CCCOc1cccc(Cl)c1 ZINC000917087322 1128479162 /nfs/dbraw/zinc/47/91/62/1128479162.db2.gz YEFJOAKPNIVEFY-CLTKARDFSA-N 0 1 274.191 3.793 20 0 CHADMN CCCc1csc(NC(=O)c2c(C)n[nH]c2C(C)C)n1 ZINC000127518657 1128479318 /nfs/dbraw/zinc/47/93/18/1128479318.db2.gz HUOQMZFHCPSVEH-UHFFFAOYSA-N 0 1 292.408 3.503 20 0 CHADMN CC1(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC=CC1 ZINC000935111013 1128479585 /nfs/dbraw/zinc/47/95/85/1128479585.db2.gz MUDYUTFOILCBDC-UHFFFAOYSA-N 0 1 291.301 3.795 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](c2ccccc2F)[C@@H](C)O)s1 ZINC000563816340 1128480021 /nfs/dbraw/zinc/48/00/21/1128480021.db2.gz KORCHDBAKWVDLM-OZVIIMIRSA-N 0 1 293.407 3.968 20 0 CHADMN CN(C/C=C/Cl)CCCOc1ccc(Cl)cc1 ZINC000917084421 1128477220 /nfs/dbraw/zinc/47/72/20/1128477220.db2.gz HNJQNVXTVFTTDW-KRXBUXKQSA-N 0 1 274.191 3.793 20 0 CHADMN C[C@H](N(C)C(=O)c1cnc(-c2ccccc2)[nH]1)C(C)(C)C ZINC000563773914 1128478068 /nfs/dbraw/zinc/47/80/68/1128478068.db2.gz HZHYHNLAVNDMCX-LBPRGKRZSA-N 0 1 285.391 3.583 20 0 CHADMN CCOc1ccccc1CN1CCC(F)(F)[C@H](C)C1 ZINC000563842535 1128481627 /nfs/dbraw/zinc/48/16/27/1128481627.db2.gz SICHJFZARHNBBP-GFCCVEGCSA-N 0 1 269.335 3.562 20 0 CHADMN C(c1nnc(C2CC2)o1)N1CCC[C@H]1CC1CCCCC1 ZINC000127723191 1128481692 /nfs/dbraw/zinc/48/16/92/1128481692.db2.gz IUKWLNXIXLRURK-HNNXBMFYSA-N 0 1 289.423 3.882 20 0 CHADMN C[C@H](c1cccnc1)N(C)Cc1cc(F)cc2cccnc21 ZINC000127704756 1128481983 /nfs/dbraw/zinc/48/19/83/1128481983.db2.gz OCACCELPNJGUEL-CYBMUJFWSA-N 0 1 295.361 3.962 20 0 CHADMN COc1ccccc1[C@@H](C)SCc1[nH]ncc1C ZINC000917110041 1128483238 /nfs/dbraw/zinc/48/32/38/1128483238.db2.gz OLLROZBBPLBRKB-LLVKDONJSA-N 0 1 262.378 3.721 20 0 CHADMN CCC[C@@H](C)CC[C@H](C)NC1(c2ncccn2)CC1 ZINC001257476988 1128483627 /nfs/dbraw/zinc/48/36/27/1128483627.db2.gz RRVQQIJKEWEYSS-KGLIPLIRSA-N 0 1 261.413 3.660 20 0 CHADMN CSc1cccc(NC(=O)[C@H]2CCCN2C(C)C)c1C ZINC000935241129 1128483845 /nfs/dbraw/zinc/48/38/45/1128483845.db2.gz CQGUHELIDQWNMF-CQSZACIVSA-N 0 1 292.448 3.528 20 0 CHADMN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccco2)c1 ZINC000089725125 1128491978 /nfs/dbraw/zinc/49/19/78/1128491978.db2.gz TUEJKFMGMVDCRW-DZGCQCFKSA-N 0 1 284.359 3.811 20 0 CHADMN O=C1CC(c2ccc(Cl)cc2)=NN1CC1CCCCC1 ZINC000917345582 1128494887 /nfs/dbraw/zinc/49/48/87/1128494887.db2.gz AFABNBFDZJNSQS-UHFFFAOYSA-N 0 1 290.794 3.857 20 0 CHADMN CC(C)(C)CCc1noc(-c2ccc(-c3nnc[nH]3)cc2)n1 ZINC000564279665 1128502347 /nfs/dbraw/zinc/50/23/47/1128502347.db2.gz RZRAARCNSQIPIQ-UHFFFAOYSA-N 0 1 297.362 3.500 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1ccc(OC(F)F)cc1 ZINC000128490057 1128500027 /nfs/dbraw/zinc/50/00/27/1128500027.db2.gz KJPYKECWKWLVHH-LBPRGKRZSA-N 0 1 292.329 3.876 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)o1 ZINC000564532941 1128510719 /nfs/dbraw/zinc/51/07/19/1128510719.db2.gz OKPRUILGMDSESB-QCPWZWHMSA-N 0 1 289.419 3.792 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)o1 ZINC000564532939 1128511023 /nfs/dbraw/zinc/51/10/23/1128511023.db2.gz OKPRUILGMDSESB-NQZOLGFYSA-N 0 1 289.419 3.792 20 0 CHADMN CCOC1CC(CCNc2noc3ccc(Cl)cc32)C1 ZINC000564582446 1128512369 /nfs/dbraw/zinc/51/23/69/1128512369.db2.gz NMSOOPLDEZYTMG-UHFFFAOYSA-N 0 1 294.782 3.520 20 0 CHADMN CC(C)[C@H]1CCN(Cc2cc(F)c(F)cc2F)C1 ZINC000539912142 1128512684 /nfs/dbraw/zinc/51/26/84/1128512684.db2.gz QECSDUCDUBDMKH-JTQLQIEISA-N 0 1 257.299 3.582 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@@H]1CCCc2ccc(F)cc21 ZINC000564666057 1128513325 /nfs/dbraw/zinc/51/33/25/1128513325.db2.gz DBYWTOYRNRIUNC-SJKOYZFVSA-N 0 1 285.366 3.652 20 0 CHADMN Cc1ccc(C)c([C@@H](C)[N@@H+](C)Cc2ccoc2C(=O)[O-])c1 ZINC000564803136 1128515682 /nfs/dbraw/zinc/51/56/82/1128515682.db2.gz OSBUESBAOYIOPR-CYBMUJFWSA-N 0 1 287.359 3.788 20 0 CHADMN c1ccc2oc(C[N@H+]3CCC4(C3)CCCCC4)nc2c1 ZINC000129935088 1128558651 /nfs/dbraw/zinc/55/86/51/1128558651.db2.gz WFGSSDBIOOCGLU-UHFFFAOYSA-N 0 1 270.376 3.984 20 0 CHADMN Cc1ccc(N(C)C(=O)c2ccc(Cl)cc2O)cc1C ZINC000917807872 1128519952 /nfs/dbraw/zinc/51/99/52/1128519952.db2.gz YTLTVCCEOLCXRB-UHFFFAOYSA-N 0 1 289.762 3.939 20 0 CHADMN CC[C@H](C)[C@@H](C)[N@@H+](CCc1ccccc1C(=O)[O-])C1CC1 ZINC000565101201 1128520120 /nfs/dbraw/zinc/52/01/20/1128520120.db2.gz AWXDOAKRYWOQIX-UONOGXRCSA-N 0 1 289.419 3.826 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2ccc3[nH]ccc3c2)n[nH]1 ZINC000565218519 1128521645 /nfs/dbraw/zinc/52/16/45/1128521645.db2.gz RPAGFDCMQIMHEW-NEPJUHHUSA-N 0 1 297.406 3.650 20 0 CHADMN CCCCC[C@@H](C)N1CCCn2cnc(COCC)c2C1 ZINC001257508784 1128521753 /nfs/dbraw/zinc/52/17/53/1128521753.db2.gz ATLFKGNFCXZWGZ-OAHLLOKOSA-N 0 1 293.455 3.594 20 0 CHADMN CC/C=C\CC[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000565255085 1128523453 /nfs/dbraw/zinc/52/34/53/1128523453.db2.gz QFPLGZZHXXFEHN-MYIWKSEUSA-N 0 1 273.376 3.633 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@@H](C)CC1 ZINC000068829016 1128524318 /nfs/dbraw/zinc/52/43/18/1128524318.db2.gz AEEUKTPSFYOYDZ-NEPJUHHUSA-N 0 1 265.401 3.550 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CCC[C@@H](C)CC1 ZINC000068829016 1128524322 /nfs/dbraw/zinc/52/43/22/1128524322.db2.gz AEEUKTPSFYOYDZ-NEPJUHHUSA-N 0 1 265.401 3.550 20 0 CHADMN CCCC[C@@H]1CCC[C@H]1NCc1ncc(CC)o1 ZINC000565633332 1128529731 /nfs/dbraw/zinc/52/97/31/1128529731.db2.gz BXNTWQCFOIJVGT-TZMCWYRMSA-N 0 1 250.386 3.686 20 0 CHADMN CCCn1ncnc1CN(CC(C)(C)C)CC(C)(C)C ZINC000565638003 1128529752 /nfs/dbraw/zinc/52/97/52/1128529752.db2.gz KHJSMUIBRRVEDH-UHFFFAOYSA-N 0 1 280.460 3.582 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2CCCc3ncccc32)s1 ZINC000631711066 1128536316 /nfs/dbraw/zinc/53/63/16/1128536316.db2.gz ZHYWMUYIIOJFCL-QMTHXVAHSA-N 0 1 273.405 3.575 20 0 CHADMN CCCCC[C@@H](C)N1CCN(C(=O)C2CCCCC2)CC1 ZINC001257519621 1128538370 /nfs/dbraw/zinc/53/83/70/1128538370.db2.gz LPWFLCVZHWVIBM-MRXNPFEDSA-N 0 1 294.483 3.680 20 0 CHADMN CCCn1c(C)cc(C(=O)CN2CCCC23CCC3)c1C ZINC000444777578 1128541449 /nfs/dbraw/zinc/54/14/49/1128541449.db2.gz SJBRBADSXFZTPC-UHFFFAOYSA-N 0 1 288.435 3.716 20 0 CHADMN C[C@@H]1CC[N@@H+](CC[C@@H](C(=O)[O-])c2ccccc2)CC1(C)C ZINC000566361526 1128542721 /nfs/dbraw/zinc/54/27/21/1128542721.db2.gz KSTSFMLMESRHIR-GDBMZVCRSA-N 0 1 289.419 3.613 20 0 CHADMN O=C([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000566361128 1128542899 /nfs/dbraw/zinc/54/28/99/1128542899.db2.gz GMTWYXRMMOLDQU-NHYWBVRUSA-N 0 1 293.794 3.803 20 0 CHADMN Fc1ccc2nc(-c3cccc4cccnc43)[nH]c2c1 ZINC000070285507 1128561022 /nfs/dbraw/zinc/56/10/22/1128561022.db2.gz MGAUNRIIKHOQFY-UHFFFAOYSA-N 0 1 263.275 3.917 20 0 CHADMN CC(C)(C)[C@@H]1CCC[C@H]1N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000566725046 1128550751 /nfs/dbraw/zinc/55/07/51/1128550751.db2.gz KSCNMYAWHCUXHC-BZUAXINKSA-N 0 1 298.434 3.699 20 0 CHADMN CCc1nc([C@H](C)N[C@@H](C)c2cccc(C3CC3)c2)n[nH]1 ZINC000556120283 1128550926 /nfs/dbraw/zinc/55/09/26/1128550926.db2.gz NMLLXTVUBCSAAW-RYUDHWBXSA-N 0 1 284.407 3.656 20 0 CHADMN Cc1oncc1CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000129695999 1128551007 /nfs/dbraw/zinc/55/10/07/1128551007.db2.gz OECZQKQHOWQNMG-OAHLLOKOSA-N 0 1 276.767 3.877 20 0 CHADMN C[N@H+](CCCCCC(=O)[O-])Cc1c(F)cccc1Cl ZINC000566801792 1128552094 /nfs/dbraw/zinc/55/20/94/1128552094.db2.gz HWXYXCBMNLGBKK-UHFFFAOYSA-N 0 1 287.762 3.556 20 0 CHADMN C[N@@H+](CCCCCC(=O)[O-])Cc1c(F)cccc1Cl ZINC000566801792 1128552099 /nfs/dbraw/zinc/55/20/99/1128552099.db2.gz HWXYXCBMNLGBKK-UHFFFAOYSA-N 0 1 287.762 3.556 20 0 CHADMN C[C@H]1CN(Cc2ccc(OCc3ccccc3)nc2)[C@H]1C ZINC000567286777 1128561145 /nfs/dbraw/zinc/56/11/45/1128561145.db2.gz WONSSVJJAIORKJ-GJZGRUSLSA-N 0 1 282.387 3.501 20 0 CHADMN Cc1cccc2nc(-c3cnn(-c4ccccc4)c3)[nH]c21 ZINC000070274662 1128561103 /nfs/dbraw/zinc/56/11/03/1128561103.db2.gz PVBSWJOKOSLJJE-UHFFFAOYSA-N 0 1 274.327 3.724 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1cnc2c(C)cccn12 ZINC000566942398 1128554644 /nfs/dbraw/zinc/55/46/44/1128554644.db2.gz GCKWNMPPJOYNMT-QGZVFWFLSA-N 0 1 294.402 3.621 20 0 CHADMN CCOc1c(Cl)cc(CNCc2ccoc2)cc1OC ZINC000069833054 1128555778 /nfs/dbraw/zinc/55/57/78/1128555778.db2.gz RCPSCNARYOVAHA-UHFFFAOYSA-N 0 1 295.766 3.630 20 0 CHADMN CCc1cccc(F)c1CN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000567318143 1128562439 /nfs/dbraw/zinc/56/24/39/1128562439.db2.gz VELSPCSKBIPWFQ-SJORKVTESA-N 0 1 291.410 3.778 20 0 CHADMN c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2OC2CC2)nc1 ZINC000556226376 1128564992 /nfs/dbraw/zinc/56/49/92/1128564992.db2.gz IUJKYMXFQPFCSI-SFHVURJKSA-N 0 1 294.398 3.960 20 0 CHADMN c1ccc([C@@H]2CCCN2Cc2ccccc2OC2CC2)nc1 ZINC000556226376 1128564994 /nfs/dbraw/zinc/56/49/94/1128564994.db2.gz IUJKYMXFQPFCSI-SFHVURJKSA-N 0 1 294.398 3.960 20 0 CHADMN Cc1ncncc1[C@@H](C)NC1(c2ccccc2)CCC1 ZINC000567520087 1128566100 /nfs/dbraw/zinc/56/61/00/1128566100.db2.gz ZCHXBVHNSGEERJ-CQSZACIVSA-N 0 1 267.376 3.515 20 0 CHADMN C[C@H](NCc1ccc(Cl)o1)c1ccc(F)cc1 ZINC000037487110 1128566534 /nfs/dbraw/zinc/56/65/34/1128566534.db2.gz RVCMNJURIYVPPI-VIFPVBQESA-N 0 1 253.704 3.923 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000567595517 1128567922 /nfs/dbraw/zinc/56/79/22/1128567922.db2.gz KRKVIWNYBSUPAY-XNRPHZJLSA-N 0 1 293.382 3.647 20 0 CHADMN Clc1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)c(Cl)c1 ZINC000567796311 1128571946 /nfs/dbraw/zinc/57/19/46/1128571946.db2.gz ROMOMUYALZUIQD-RISCZKNCSA-N 0 1 286.202 3.604 20 0 CHADMN CC(C)(Cc1nc(-c2ccc3[nH]cnc3c2)no1)C1CC1 ZINC000556290366 1128573114 /nfs/dbraw/zinc/57/31/14/1128573114.db2.gz DHMFOXNEXCWLTO-UHFFFAOYSA-N 0 1 282.347 3.592 20 0 CHADMN Cc1ccsc1[C@@H](C)NCc1ccn(C(C)C)n1 ZINC000556668148 1128614031 /nfs/dbraw/zinc/61/40/31/1128614031.db2.gz PGAJTYQMXPOGML-GFCCVEGCSA-N 0 1 263.410 3.685 20 0 CHADMN CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)C(C)C ZINC000568183319 1128579724 /nfs/dbraw/zinc/57/97/24/1128579724.db2.gz QLIFSZZYEMJTRU-UHFFFAOYSA-N 0 1 286.778 3.538 20 0 CHADMN CCCN(C(=O)c1cccc(C(F)(F)F)c1O)C(C)C ZINC000568413819 1128584127 /nfs/dbraw/zinc/58/41/27/1128584127.db2.gz RIWGRURIBBAHOK-UHFFFAOYSA-N 0 1 289.297 3.672 20 0 CHADMN Nc1ccc2c(c1)CC[C@@H]2NCc1ccc(Cl)cc1F ZINC000568532417 1128587064 /nfs/dbraw/zinc/58/70/64/1128587064.db2.gz FMTJQCSLAZJHBM-INIZCTEOSA-N 0 1 290.769 3.838 20 0 CHADMN Cc1cccnc1CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000071339580 1128587849 /nfs/dbraw/zinc/58/78/49/1128587849.db2.gz CIKAZJUUFZOJAS-LBPRGKRZSA-N 0 1 292.329 3.842 20 0 CHADMN Cc1ccc(-c2ncc(CN(C)[C@H]3CCSC3)s2)o1 ZINC000130623512 1128590087 /nfs/dbraw/zinc/59/00/87/1128590087.db2.gz GFGUWLFEFOXMLH-NSHDSACASA-N 0 1 294.445 3.649 20 0 CHADMN Cc1nc2c(n1Cc1ccccc1OC(F)F)CCCC2 ZINC000569020663 1128596790 /nfs/dbraw/zinc/59/67/90/1128596790.db2.gz BEKYHNICAYITGB-UHFFFAOYSA-N 0 1 292.329 3.720 20 0 CHADMN COc1ccc(C[N@@H+](Cc2ccco2)C2CCCC2)cn1 ZINC000131120894 1128605771 /nfs/dbraw/zinc/60/57/71/1128605771.db2.gz WFCJXQTYTSJAKU-UHFFFAOYSA-N 0 1 286.375 3.628 20 0 CHADMN COc1ccc(CN(Cc2ccco2)C2CCCC2)cn1 ZINC000131120894 1128605773 /nfs/dbraw/zinc/60/57/73/1128605773.db2.gz WFCJXQTYTSJAKU-UHFFFAOYSA-N 0 1 286.375 3.628 20 0 CHADMN C[C@H](N[C@H]1C=CCCCCC1)c1c(F)cncc1F ZINC000569712293 1128607673 /nfs/dbraw/zinc/60/76/73/1128607673.db2.gz BZPVFSJXOSUOHW-RYUDHWBXSA-N 0 1 266.335 3.899 20 0 CHADMN COCC[C@H](NCc1ccc2[nH]ccc2c1)c1ccco1 ZINC000569744037 1128608241 /nfs/dbraw/zinc/60/82/41/1128608241.db2.gz PKZJKECTPURJHR-INIZCTEOSA-N 0 1 284.359 3.628 20 0 CHADMN CCCC[C@H](C)C(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000569717471 1128608290 /nfs/dbraw/zinc/60/82/90/1128608290.db2.gz ASSYFNCUFWMALT-NSHDSACASA-N 0 1 287.363 3.547 20 0 CHADMN FC[C@@H]1CCCN1CCSc1ccc(Cl)cc1 ZINC000569749227 1128609060 /nfs/dbraw/zinc/60/90/60/1128609060.db2.gz KKZAFGHEDAJVTB-LBPRGKRZSA-N 0 1 273.804 3.866 20 0 CHADMN CC[C@@H]1CCC[C@H](CN(C)[C@H](C)c2nc(C)no2)C1 ZINC000569825226 1128609883 /nfs/dbraw/zinc/60/98/83/1128609883.db2.gz NSUGEGIBBUWDOS-BNOWGMLFSA-N 0 1 265.401 3.587 20 0 CHADMN CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1ncccc1O ZINC000569889961 1128611425 /nfs/dbraw/zinc/61/14/25/1128611425.db2.gz WZWPLVRGKVNLPA-KRWDZBQOSA-N 0 1 270.376 3.616 20 0 CHADMN CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1ncccc1[O-] ZINC000569889961 1128611429 /nfs/dbraw/zinc/61/14/29/1128611429.db2.gz WZWPLVRGKVNLPA-KRWDZBQOSA-N 0 1 270.376 3.616 20 0 CHADMN CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1ncccc1[O-] ZINC000569889961 1128611431 /nfs/dbraw/zinc/61/14/31/1128611431.db2.gz WZWPLVRGKVNLPA-KRWDZBQOSA-N 0 1 270.376 3.616 20 0 CHADMN Cc1ccc(CCC2CCN(Cc3cnccn3)CC2)cc1 ZINC000556773850 1128621749 /nfs/dbraw/zinc/62/17/49/1128621749.db2.gz VPCNEMIGLKUMMO-UHFFFAOYSA-N 0 1 295.430 3.630 20 0 CHADMN Cc1ccccc1-n1cc(CN([C@H](C)C(C)C)C2CC2)nn1 ZINC000570435548 1128623233 /nfs/dbraw/zinc/62/32/33/1128623233.db2.gz WEKBTNYWTJHOFC-OAHLLOKOSA-N 0 1 298.434 3.585 20 0 CHADMN O=C([O-])C[N@@H+](C/C=C/c1ccc(Cl)cc1)C1CCCC1 ZINC000570464712 1128624262 /nfs/dbraw/zinc/62/42/62/1128624262.db2.gz XKFXVFBCSXDICF-ONEGZZNKSA-N 0 1 293.794 3.682 20 0 CHADMN CSCc1cnc(CN(C)[C@H](C)C(C)(C)C)s1 ZINC000556797298 1128624959 /nfs/dbraw/zinc/62/49/59/1128624959.db2.gz QFELGUGBVORVKD-SNVBAGLBSA-N 0 1 272.483 3.873 20 0 CHADMN CC[C@H](C)CN(C)Cc1nc2ccccc2n1C(F)F ZINC000072630862 1128626335 /nfs/dbraw/zinc/62/63/35/1128626335.db2.gz UEMRVWKTSKMTER-NSHDSACASA-N 0 1 281.350 3.909 20 0 CHADMN CCN(Cc1ccc(OC)cc1Br)C(C)C ZINC000570760102 1128631308 /nfs/dbraw/zinc/63/13/08/1128631308.db2.gz ARIFEPAQOBKZTC-UHFFFAOYSA-N 0 1 286.213 3.688 20 0 CHADMN CC[C@@](C)(NCCOc1cccc(C)c1)c1nccs1 ZINC000072683092 1128628335 /nfs/dbraw/zinc/62/83/35/1128628335.db2.gz YAUPDQBETJGDPQ-MRXNPFEDSA-N 0 1 290.432 3.745 20 0 CHADMN CN(Cc1cn2cc(Cl)cc(Cl)c2n1)C1CCC1 ZINC000072722338 1128629792 /nfs/dbraw/zinc/62/97/92/1128629792.db2.gz CZMPCVOZVQSBRE-UHFFFAOYSA-N 0 1 284.190 3.625 20 0 CHADMN C/C(=C\c1ccccc1)CN(C)Cc1cncc(F)c1 ZINC000570708921 1128630278 /nfs/dbraw/zinc/63/02/78/1128630278.db2.gz SRUYTMWOOSKXIR-RIYZIHGNSA-N 0 1 270.351 3.756 20 0 CHADMN CC/C=C\CNCc1nc(C(C)C)n2ccccc12 ZINC000570973276 1128635460 /nfs/dbraw/zinc/63/54/60/1128635460.db2.gz IISIEVWMWXALHV-ALCCZGGFSA-N 0 1 257.381 3.514 20 0 CHADMN Cc1ccc2nc(CN3CC(C)(C)[C@H]3C(C)C)cn2c1 ZINC000556895663 1128635544 /nfs/dbraw/zinc/63/55/44/1128635544.db2.gz XDWAAHPHDCGECD-MRXNPFEDSA-N 0 1 271.408 3.509 20 0 CHADMN COc1c(C)cc(CN(C)Cc2ccncc2C)cc1C ZINC000570771272 1128632153 /nfs/dbraw/zinc/63/21/53/1128632153.db2.gz FIAQNLAEWXBXNA-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000570855701 1128633867 /nfs/dbraw/zinc/63/38/67/1128633867.db2.gz YHKKKQMJTAFREB-CJNGLKHVSA-N 0 1 275.392 3.785 20 0 CHADMN CC[C@@](C)(NCCOc1ccccc1)c1nc(C)cs1 ZINC000072863070 1128634255 /nfs/dbraw/zinc/63/42/55/1128634255.db2.gz ATQSTCZXNSKFCJ-MRXNPFEDSA-N 0 1 290.432 3.745 20 0 CHADMN CCc1cnc(CN2CC[C@@H](c3cccc(F)c3)C2)s1 ZINC000571324457 1128636678 /nfs/dbraw/zinc/63/66/78/1128636678.db2.gz YJXXXGUZVWTQOM-CYBMUJFWSA-N 0 1 290.407 3.834 20 0 CHADMN CC1(C)CCC[N@@H+](CC[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000571649651 1128638126 /nfs/dbraw/zinc/63/81/26/1128638126.db2.gz SYZKGYCRBYNSCK-INIZCTEOSA-N 0 1 289.419 3.757 20 0 CHADMN Cc1cc([C@H](C)N[C@@H](c2ccccc2F)[C@H](C)O)cs1 ZINC000572126785 1128642334 /nfs/dbraw/zinc/64/23/34/1128642334.db2.gz LZDARVJKECRTOV-MQIPJXDCSA-N 0 1 293.407 3.968 20 0 CHADMN CC(C)c1ncc(CN[C@H](C)c2cccc(O)c2)s1 ZINC000132121171 1128643586 /nfs/dbraw/zinc/64/35/86/1128643586.db2.gz GBLXSQMYBNGJHX-LLVKDONJSA-N 0 1 276.405 3.823 20 0 CHADMN CN(Cc1ccc(-c2ccccc2Cl)o1)[C@@H]1CCOC1 ZINC000132142745 1128643794 /nfs/dbraw/zinc/64/37/94/1128643794.db2.gz NOUKBPDKSXARTE-GFCCVEGCSA-N 0 1 291.778 3.821 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccoc1)c1ccc(N2CCCC2=O)cc1 ZINC000156919815 1128644863 /nfs/dbraw/zinc/64/48/63/1128644863.db2.gz CKEJALNKBCCNFM-KGLIPLIRSA-N 0 1 298.386 3.818 20 0 CHADMN Cc1ncncc1[C@@H](C)NCc1cccc(OCC(C)C)c1 ZINC000572984478 1128650112 /nfs/dbraw/zinc/65/01/12/1128650112.db2.gz DPAZQQWWVHDAEM-CQSZACIVSA-N 0 1 299.418 3.671 20 0 CHADMN CN(CCOc1cccc2ccccc21)Cc1cccnc1 ZINC000132456280 1128650563 /nfs/dbraw/zinc/65/05/63/1128650563.db2.gz RVVBMLBSGNDETK-UHFFFAOYSA-N 0 1 292.382 3.746 20 0 CHADMN CC[C@H]1C[C@H](C)CN1Cc1cc(C(C)(C)C)on1 ZINC000572625533 1128646261 /nfs/dbraw/zinc/64/62/61/1128646261.db2.gz KJTIBBBBLRUYOL-AAEUAGOBSA-N 0 1 250.386 3.593 20 0 CHADMN CCCN(C(=O)c1cc(C)[nH]n1)[C@H](CC)c1ccccc1 ZINC000499125670 1128650913 /nfs/dbraw/zinc/65/09/13/1128650913.db2.gz BHFVQQODFQBWJU-MRXNPFEDSA-N 0 1 285.391 3.722 20 0 CHADMN CCCc1csc(CN(C)[C@H](CC)CSC)n1 ZINC000573140094 1128651683 /nfs/dbraw/zinc/65/16/83/1128651683.db2.gz ABPWWJAGMWULEM-GFCCVEGCSA-N 0 1 272.483 3.669 20 0 CHADMN C/C(=C\c1ccccc1)CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000556967760 1128653523 /nfs/dbraw/zinc/65/35/23/1128653523.db2.gz QJQXQZDHQXEHED-BDZHWRPJSA-N 0 1 283.415 3.733 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccccc2)[C@@H](CC)C1 ZINC000573379829 1128653592 /nfs/dbraw/zinc/65/35/92/1128653592.db2.gz SVGPBGMMLOFBPM-BHYGNILZSA-N 0 1 289.419 3.755 20 0 CHADMN Cn1ccnc1[C@@H](C1CC1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000637865733 1129232219 /nfs/dbraw/zinc/23/22/19/1129232219.db2.gz DSEUCGQDKWNOAH-DZGCQCFKSA-N 0 1 287.432 3.770 20 0 CHADMN Cn1ccnc1[C@@H](C1CC1)N1CCC[C@H]1c1cccs1 ZINC000637865733 1129232221 /nfs/dbraw/zinc/23/22/21/1129232221.db2.gz DSEUCGQDKWNOAH-DZGCQCFKSA-N 0 1 287.432 3.770 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N(C)CC1CCCCC1 ZINC000074158794 1128656359 /nfs/dbraw/zinc/65/63/59/1128656359.db2.gz AYRMZPBOUFRGGX-LBPRGKRZSA-N 0 1 279.428 3.940 20 0 CHADMN CCC(CC)N(CC)Cc1nc(CCC(C)C)no1 ZINC000573641653 1128657046 /nfs/dbraw/zinc/65/70/46/1128657046.db2.gz JQLKQEWGTFVIBF-UHFFFAOYSA-N 0 1 267.417 3.669 20 0 CHADMN CCCN(CC(C)C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000499186202 1128658857 /nfs/dbraw/zinc/65/88/57/1128658857.db2.gz ARPJHLHHBMMWSO-UHFFFAOYSA-N 0 1 285.391 3.585 20 0 CHADMN CCCCCN1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000499246733 1128665709 /nfs/dbraw/zinc/66/57/09/1128665709.db2.gz GBGIPKIKWMYWQI-HNNXBMFYSA-N 0 1 299.361 3.852 20 0 CHADMN CCC[C@H](N[C@@H]1CCSC1)c1ncccc1Cl ZINC000925477685 1128663834 /nfs/dbraw/zinc/66/38/34/1128663834.db2.gz GDILMHPQAPRWJN-PWSUYJOCSA-N 0 1 270.829 3.671 20 0 CHADMN C[C@@H](OC(=O)c1cccc2[nH]ncc21)c1cccc(F)c1 ZINC000920168882 1128669360 /nfs/dbraw/zinc/66/93/60/1128669360.db2.gz CSUKPGJTKXYRJO-SNVBAGLBSA-N 0 1 284.290 3.620 20 0 CHADMN CCC/C(C)=C\C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000920284985 1128676398 /nfs/dbraw/zinc/67/63/98/1128676398.db2.gz JHEHBFJANOFZSV-NTMALXAHSA-N 0 1 257.337 3.556 20 0 CHADMN CC[C@@H]1CN(CCOc2cccc3ccccc32)C[C@@H](C)O1 ZINC000600701902 1128678984 /nfs/dbraw/zinc/67/89/84/1128678984.db2.gz GLTKYEXAHMJTKE-NVXWUHKLSA-N 0 1 299.414 3.718 20 0 CHADMN C[C@H](c1ccccc1)N1CCN([C@@H](C)c2ccccn2)CC1 ZINC000159404459 1128688761 /nfs/dbraw/zinc/68/87/61/1128688761.db2.gz YADVWEFVLNQSKP-SJORKVTESA-N 0 1 295.430 3.521 20 0 CHADMN CC(C)CC[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000577878477 1128695922 /nfs/dbraw/zinc/69/59/22/1128695922.db2.gz KCJBQVUXKXERRS-OAHLLOKOSA-N 0 1 293.382 3.925 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000577901865 1128698098 /nfs/dbraw/zinc/69/80/98/1128698098.db2.gz QKWWQMPBPPLJCK-LZLYRXPVSA-N 0 1 294.398 3.555 20 0 CHADMN [O-]c1cccnc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000577901865 1128698101 /nfs/dbraw/zinc/69/81/01/1128698101.db2.gz QKWWQMPBPPLJCK-LZLYRXPVSA-N 0 1 294.398 3.555 20 0 CHADMN C[C@H](C1CC1)N(Cc1ccccc1)Cn1cc(Cl)cn1 ZINC000921186517 1128702746 /nfs/dbraw/zinc/70/27/46/1128702746.db2.gz RZUUXOBAYWSQJC-CYBMUJFWSA-N 0 1 289.810 3.795 20 0 CHADMN Cl/C=C(\Cl)CN1CCCN(Cc2ccccc2)CC1 ZINC000687647982 1128707442 /nfs/dbraw/zinc/70/74/42/1128707442.db2.gz WRTLNMNBUJGQHH-PTNGSMBKSA-N 0 1 299.245 3.513 20 0 CHADMN COc1ccccc1[C@H](C)NCc1ccc2c(c1)C[C@H](C)O2 ZINC000921487440 1128709432 /nfs/dbraw/zinc/70/94/32/1128709432.db2.gz LYGVBRITHJYWFC-KBPBESRZSA-N 0 1 297.398 3.869 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cnn(CC2CCC2)c1 ZINC000921487754 1128710359 /nfs/dbraw/zinc/71/03/59/1128710359.db2.gz WDLLAXOQTNZILX-CQSZACIVSA-N 0 1 299.418 3.543 20 0 CHADMN Cc1ccc(CN[C@@H]2c3ccccc3O[C@H]2C)cc1 ZINC000578169228 1128710434 /nfs/dbraw/zinc/71/04/34/1128710434.db2.gz UHIZCUAEOUBGOD-GUYCJALGSA-N 0 1 253.345 3.607 20 0 CHADMN C[C@H](NCc1ccnn1C1CCC1)c1ccc(F)c(F)c1 ZINC000921472169 1128710858 /nfs/dbraw/zinc/71/08/58/1128710858.db2.gz YJMGIUVCQCHLIL-NSHDSACASA-N 0 1 291.345 3.737 20 0 CHADMN Cc1cc(CN(C)CC2CCC(C(C)C)CC2)no1 ZINC000578263834 1128713353 /nfs/dbraw/zinc/71/33/53/1128713353.db2.gz WWTCVQLFLVOYCI-UHFFFAOYSA-N 0 1 264.413 3.877 20 0 CHADMN CCc1ccc(CC[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000578329411 1128714550 /nfs/dbraw/zinc/71/45/50/1128714550.db2.gz BVKPMKWCQVTHDI-UHFFFAOYSA-N 0 1 297.398 3.622 20 0 CHADMN C[C@@H](C(=O)NOCc1ccccc1)c1ccc(Cl)s1 ZINC000175072237 1128714925 /nfs/dbraw/zinc/71/49/25/1128714925.db2.gz ABXRJPWBWNHNRV-SNVBAGLBSA-N 0 1 295.791 3.753 20 0 CHADMN CCCNC(=S)Nc1cc(Cl)ccc1SC ZINC000064371813 1128714995 /nfs/dbraw/zinc/71/49/95/1128714995.db2.gz UWXVJAGCWYHFIB-UHFFFAOYSA-N 0 1 274.842 3.758 20 0 CHADMN Cc1cnc(CN2CCc3ccccc3[C@@H]2C(C)C)cn1 ZINC000763454854 1128716885 /nfs/dbraw/zinc/71/68/85/1128716885.db2.gz UDOFVXGBGGCVOA-SFHVURJKSA-N 0 1 281.403 3.540 20 0 CHADMN Cc1ccncc1CN[C@@H](C)c1ccccc1OC(F)F ZINC000135445424 1128718946 /nfs/dbraw/zinc/71/89/46/1128718946.db2.gz GVGLETMAKLLBFX-LBPRGKRZSA-N 0 1 292.329 3.842 20 0 CHADMN Cc1ccncc1CN[C@@H]1CCSc2ccc(F)cc21 ZINC000135440767 1128719168 /nfs/dbraw/zinc/71/91/68/1128719168.db2.gz NXKRFPYEJAZTPN-OAHLLOKOSA-N 0 1 288.391 3.856 20 0 CHADMN Cc1ccc2nc(S[C@@H](C)OC(=O)OC(C)C)[nH]c2c1 ZINC000175227796 1128720719 /nfs/dbraw/zinc/72/07/19/1128720719.db2.gz UAXYGUBHDWYJND-JTQLQIEISA-N 0 1 294.376 3.871 20 0 CHADMN CCC[C@H](NCc1cc(C(=O)OC)co1)c1ccccc1 ZINC000135710817 1128722116 /nfs/dbraw/zinc/72/21/16/1128722116.db2.gz IMYHNCCXOJOZJN-INIZCTEOSA-N 0 1 287.359 3.697 20 0 CHADMN CC(C)(C)C[C@H]1CC[N@@H+](Cc2nnc(C3CC3)o2)C1(C)C ZINC000578616357 1128723508 /nfs/dbraw/zinc/72/35/08/1128723508.db2.gz VGFGQJUXTONGGV-CYBMUJFWSA-N 0 1 291.439 3.984 20 0 CHADMN CC(C)(C)C[C@H]1CCN(Cc2nnc(C3CC3)o2)C1(C)C ZINC000578616357 1128723514 /nfs/dbraw/zinc/72/35/14/1128723514.db2.gz VGFGQJUXTONGGV-CYBMUJFWSA-N 0 1 291.439 3.984 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](C)CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000578756384 1128728761 /nfs/dbraw/zinc/72/87/61/1128728761.db2.gz QPMJWEJWROMLKV-CRAIPNDOSA-N 0 1 297.398 3.938 20 0 CHADMN C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)[C@@H]1CO ZINC000578820826 1128730272 /nfs/dbraw/zinc/73/02/72/1128730272.db2.gz PSODKWBZAOTRKS-IINYFYTJSA-N 0 1 288.218 3.586 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2ccsc2)s1 ZINC000061361781 1117749630 /nfs/dbraw/zinc/74/96/30/1117749630.db2.gz WLRMTHKOEFPJAT-VIFPVBQESA-N 0 1 252.408 3.618 20 0 CHADMN Oc1cccc(CN[C@@H]2CCSc3ccccc32)c1 ZINC000034992445 1117757539 /nfs/dbraw/zinc/75/75/39/1117757539.db2.gz MHKUWNJQTHYNFO-OAHLLOKOSA-N 0 1 271.385 3.719 20 0 CHADMN FC(F)c1ccc(CN2CCOC[C@H]2C2CCC2)cc1 ZINC000579706443 1117759668 /nfs/dbraw/zinc/75/96/68/1117759668.db2.gz FLPQKKKOMQXYJX-HNNXBMFYSA-N 0 1 281.346 3.625 20 0 CHADMN C[C@@H]([NH2+]Cc1ccoc1)c1ccc(Br)cc1[O-] ZINC000185106861 1117764366 /nfs/dbraw/zinc/76/43/66/1117764366.db2.gz NJPRWQSWKZXADF-SECBINFHSA-N 0 1 296.164 3.599 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cc(F)cc(Cl)c2)n1 ZINC000339366088 1117764697 /nfs/dbraw/zinc/76/46/97/1117764697.db2.gz YDKPMLFYPKJBCC-NSHDSACASA-N 0 1 283.734 3.575 20 0 CHADMN Fc1cccc2c1SCC[C@@H]2NCc1cccnc1 ZINC000035047565 1117764954 /nfs/dbraw/zinc/76/49/54/1117764954.db2.gz KMCSRVFMBBIBTR-AWEZNQCLSA-N 0 1 274.364 3.547 20 0 CHADMN Cc1ccc(CCCc2nc([C@H](N)CC(C)C)no2)cc1 ZINC000339385954 1117767720 /nfs/dbraw/zinc/76/77/20/1117767720.db2.gz BSGSLPXBJQMHEA-OAHLLOKOSA-N 0 1 287.407 3.599 20 0 CHADMN CC(C)c1cc(CN[C@@H]2CS[C@@H](C(C)(C)C)C2)on1 ZINC000683108301 1117769731 /nfs/dbraw/zinc/76/97/31/1117769731.db2.gz BKFUFJPMAJEURE-SMDDNHRTSA-N 0 1 282.453 3.808 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(CC)(CC)CC)n[nH]1 ZINC000683121075 1117778982 /nfs/dbraw/zinc/77/89/82/1117778982.db2.gz NTQJGYQZBARGNS-VXGBXAGGSA-N 0 1 294.443 3.712 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccco1 ZINC000160213015 1117783182 /nfs/dbraw/zinc/78/31/82/1117783182.db2.gz MPFDOIHJMLUDCR-KBPBESRZSA-N 0 1 298.386 3.818 20 0 CHADMN C[C@H]1CN(CCCCCF)C[C@H](c2ccc(F)cc2)O1 ZINC000671241573 1117783839 /nfs/dbraw/zinc/78/38/39/1117783839.db2.gz SQTYSDKUOWQREU-XJKSGUPXSA-N 0 1 283.362 3.727 20 0 CHADMN C[C@@H](c1noc(-c2ccccc2)n1)N1CCCC[C@@H](C)C1 ZINC000671243351 1117783929 /nfs/dbraw/zinc/78/39/29/1117783929.db2.gz WIIGOEJUSYVOQU-KGLIPLIRSA-N 0 1 285.391 3.920 20 0 CHADMN Cc1cccc(C(C)C)c1NC(=O)CN1CCCC[C@@H]1C ZINC000003538834 1117791935 /nfs/dbraw/zinc/79/19/35/1117791935.db2.gz FKQWTIUUEPCUNC-HNNXBMFYSA-N 0 1 288.435 3.931 20 0 CHADMN Cc1ccoc1CN[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000339462801 1117800378 /nfs/dbraw/zinc/80/03/78/1117800378.db2.gz CHWLBIYQUBWSIS-ZDUSSCGKSA-N 0 1 299.349 3.764 20 0 CHADMN CCc1nc(C(C)C)ccc1CN(C)CC1=CCSC1 ZINC000662266682 1117804267 /nfs/dbraw/zinc/80/42/67/1117804267.db2.gz KYYNXFHFNISCJV-UHFFFAOYSA-N 0 1 290.476 3.872 20 0 CHADMN CCN(c1ccc(N[C@@H](C)c2ncc[nH]2)cc1)C(C)C ZINC000286137724 1117805628 /nfs/dbraw/zinc/80/56/28/1117805628.db2.gz OHGLRIMCFMNIII-ZDUSSCGKSA-N 0 1 272.396 3.818 20 0 CHADMN CCN(CCOc1ccc(Cl)cc1)CCC(F)(F)F ZINC000623122001 1117815661 /nfs/dbraw/zinc/81/56/61/1117815661.db2.gz ZKJCYVCNVVJWJA-UHFFFAOYSA-N 0 1 295.732 3.993 20 0 CHADMN Cc1cc2c(ccnc2-c2cc(F)c(O)cc2F)o1 ZINC001206767563 1117817386 /nfs/dbraw/zinc/81/73/86/1117817386.db2.gz GDXOAWOPDHRQBX-UHFFFAOYSA-N 0 1 261.227 3.787 20 0 CHADMN c1cc([C@H]2CCCCN2CCCCOc2ccccc2)n[nH]1 ZINC000510073612 1117823919 /nfs/dbraw/zinc/82/39/19/1117823919.db2.gz PDWIEUOMXNUSMC-GOSISDBHSA-N 0 1 299.418 3.796 20 0 CHADMN Fc1ccc(F)c(CNCCCOCC2CC2)c1Cl ZINC000623343507 1117836379 /nfs/dbraw/zinc/83/63/79/1117836379.db2.gz XPQQCJUUSTYNDP-UHFFFAOYSA-N 0 1 289.753 3.525 20 0 CHADMN CO[C@@H](CN[C@H](C)c1ncc(C)s1)C1CCCCC1 ZINC000660269485 1117841336 /nfs/dbraw/zinc/84/13/36/1117841336.db2.gz NVOZBNFDMHCBQR-OCCSQVGLSA-N 0 1 282.453 3.697 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CNCc2cccc3n[nH]cc32)o1 ZINC000623362937 1117842664 /nfs/dbraw/zinc/84/26/64/1117842664.db2.gz QQEUHVPIRAUUDN-FZMZJTMJSA-N 0 1 281.359 3.569 20 0 CHADMN Cc1ncc(CNCc2csc(C(F)(F)F)c2)s1 ZINC000623403363 1117851976 /nfs/dbraw/zinc/85/19/76/1117851976.db2.gz SRVZHSDKYMHBPQ-UHFFFAOYSA-N 0 1 292.351 3.822 20 0 CHADMN CCC[N@H+](Cc1ccn(-c2ccccc2)n1)CC(C)C ZINC000623435316 1117855672 /nfs/dbraw/zinc/85/56/72/1117855672.db2.gz VPKRNZVKODFNBA-UHFFFAOYSA-N 0 1 271.408 3.740 20 0 CHADMN C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccn(-c3ccccc3)n2)C1 ZINC000623433823 1117855816 /nfs/dbraw/zinc/85/58/16/1117855816.db2.gz ALMHQUBQTXUQMD-QAPCUYQASA-N 0 1 283.419 3.883 20 0 CHADMN Cc1cc(CN2CCCC[C@@](C)(O)C2)c(F)cc1Cl ZINC001238300570 1117858088 /nfs/dbraw/zinc/85/80/88/1117858088.db2.gz SDWWXDHBGZRASL-OAHLLOKOSA-N 0 1 285.790 3.524 20 0 CHADMN COc1ccccc1[C@@H]1CCCCN1Cc1ccncc1 ZINC000607753711 1117860896 /nfs/dbraw/zinc/86/08/96/1117860896.db2.gz HQLMTTODYLGZIC-KRWDZBQOSA-N 0 1 282.387 3.817 20 0 CHADMN COCC[C@H](NCc1ccc2cc[nH]c2c1)c1ccco1 ZINC000623487479 1117861646 /nfs/dbraw/zinc/86/16/46/1117861646.db2.gz DCVCIAZSKVAQDD-HNNXBMFYSA-N 0 1 284.359 3.628 20 0 CHADMN Cc1cc(CNCc2csc(C(F)(F)F)c2)ccn1 ZINC000623537013 1117868456 /nfs/dbraw/zinc/86/84/56/1117868456.db2.gz JXYQIQMKOYMNRT-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN C[C@@H](CNCc1c(F)ccc(F)c1Cl)c1ccccn1 ZINC000623562298 1117872595 /nfs/dbraw/zinc/87/25/95/1117872595.db2.gz NZAFGYLWICMLSI-JTQLQIEISA-N 0 1 296.748 3.907 20 0 CHADMN C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccoc1 ZINC000177940897 1117882581 /nfs/dbraw/zinc/88/25/81/1117882581.db2.gz IFCKSXVZNXQHAY-SGTLLEGYSA-N 0 1 299.370 3.853 20 0 CHADMN CCN1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000430215471 1117882693 /nfs/dbraw/zinc/88/26/93/1117882693.db2.gz CHROEFHYKUPZKY-CYBMUJFWSA-N 0 1 268.198 3.914 20 0 CHADMN CCCC(=O)Nc1cccc(CN[C@H](C)c2ccoc2)c1 ZINC000178127078 1117886254 /nfs/dbraw/zinc/88/62/54/1117886254.db2.gz ZAKGAOBQHLHRMP-CYBMUJFWSA-N 0 1 286.375 3.869 20 0 CHADMN Fc1ccc2oc(CN[C@H]3CCC[C@H]3F)cc2c1 ZINC000339582631 1117888489 /nfs/dbraw/zinc/88/84/89/1117888489.db2.gz GYGDKWARXHQWRO-OLZOCXBDSA-N 0 1 251.276 3.552 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccoc1)c1ccc(-n2cccn2)cc1 ZINC000178186460 1117890768 /nfs/dbraw/zinc/89/07/68/1117890768.db2.gz DNORIXKVLDRQFF-KGLIPLIRSA-N 0 1 281.359 3.877 20 0 CHADMN FCC1(NCc2cccc(OC(F)(F)F)c2)CCC1 ZINC000579832770 1117899374 /nfs/dbraw/zinc/89/93/74/1117899374.db2.gz TUZLCYMPVNLITR-UHFFFAOYSA-N 0 1 277.261 3.567 20 0 CHADMN CC(C)CCCC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000615281145 1128742632 /nfs/dbraw/zinc/74/26/32/1128742632.db2.gz LONUWRMFCRKXAG-UHFFFAOYSA-N 0 1 287.363 3.547 20 0 CHADMN C[C@H]1CCCC[C@H]1C(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000615281223 1128742892 /nfs/dbraw/zinc/74/28/92/1128742892.db2.gz NUQJLYVQQFHITQ-WCQYABFASA-N 0 1 299.374 3.547 20 0 CHADMN CCCCN(C(=O)c1cc(CC)[nH]n1)[C@H]1CCC[C@@H](C)C1 ZINC000579276425 1128743039 /nfs/dbraw/zinc/74/30/39/1128743039.db2.gz NWZKUIWMOKKQJP-HIFRSBDPSA-N 0 1 291.439 3.793 20 0 CHADMN O=C(Nc1c(=O)[nH][nH]c1-c1ccccc1)C1=CCCCCC1 ZINC000615283197 1128743395 /nfs/dbraw/zinc/74/33/95/1128743395.db2.gz PTNMGTKAVMYDHS-UHFFFAOYSA-N 0 1 297.358 3.611 20 0 CHADMN Cc1cc(CN2CCC[C@@](C)(F)CC2)ncc1Cl ZINC001238420686 1117920767 /nfs/dbraw/zinc/92/07/67/1117920767.db2.gz BHTWOHCGJCMUEJ-CQSZACIVSA-N 0 1 270.779 3.758 20 0 CHADMN C[C@H](NC[C@@H]1CCC[C@@H](C)C1)c1nc(C(C)(C)C)no1 ZINC000237582400 1128744085 /nfs/dbraw/zinc/74/40/85/1128744085.db2.gz XRHLHHSJEVGWRQ-FRRDWIJNSA-N 0 1 279.428 3.844 20 0 CHADMN CCc1ccsc1-c1nc(-c2ccn3cncc3c2)no1 ZINC000351112735 1117927229 /nfs/dbraw/zinc/92/72/29/1117927229.db2.gz XJBVDUJHYALOHE-UHFFFAOYSA-N 0 1 296.355 3.675 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cccc2c1OCC2 ZINC000921509758 1117929410 /nfs/dbraw/zinc/92/94/10/1117929410.db2.gz UNDOQWQTORKCNF-AWEZNQCLSA-N 0 1 297.398 3.789 20 0 CHADMN CC[C@H](CC(F)F)c1nc(-c2ccn3cncc3c2)no1 ZINC000351221625 1117930411 /nfs/dbraw/zinc/93/04/11/1117930411.db2.gz MKOBKOPZXAYTBX-SECBINFHSA-N 0 1 292.289 3.533 20 0 CHADMN Cc1nccc(CNC(C)(C)c2ccc3ccccc3c2)n1 ZINC000623803777 1117939401 /nfs/dbraw/zinc/93/94/01/1117939401.db2.gz QGPVURVPVIBRLV-UHFFFAOYSA-N 0 1 291.398 3.963 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000430257609 1117940450 /nfs/dbraw/zinc/94/04/50/1117940450.db2.gz ABERKTXHYRDNKZ-CQSZACIVSA-N 0 1 295.386 3.667 20 0 CHADMN Cc1ccc(Br)c(C)c1NC1=CC[N@@H+](C)CC1 ZINC001208859688 1117941506 /nfs/dbraw/zinc/94/15/06/1117941506.db2.gz XOAYHNNKOBMMDG-UHFFFAOYSA-N 0 1 295.224 3.697 20 0 CHADMN Fc1ccc(F)c([C@@H]2CCCN2C[C@H]2CCC=CO2)c1 ZINC001208880193 1117945721 /nfs/dbraw/zinc/94/57/21/1117945721.db2.gz JYWRLTFFBMZRAQ-CJNGLKHVSA-N 0 1 279.330 3.794 20 0 CHADMN Cc1nnc([C@@H](C)NC[C@@]2(C)C[C@@H]2c2ccccc2)s1 ZINC000639062959 1117945744 /nfs/dbraw/zinc/94/57/44/1117945744.db2.gz WVFVXWPGFIGOTG-DJSGYFEHSA-N 0 1 287.432 3.691 20 0 CHADMN CC1=C[C@H](C)CN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000430259182 1117946666 /nfs/dbraw/zinc/94/66/66/1117946666.db2.gz ADVHJEQCGSZRQG-LBPRGKRZSA-N 0 1 286.350 3.879 20 0 CHADMN CCCC[C@H](C)[N@@H+](CCCC)Cc1nnc(CC)o1 ZINC000339649273 1117946672 /nfs/dbraw/zinc/94/66/72/1117946672.db2.gz CGOZYPGKJIGUGQ-ZDUSSCGKSA-N 0 1 267.417 3.813 20 0 CHADMN CCCC[C@H](C)N(CCCC)Cc1nnc(CC)o1 ZINC000339649273 1117946673 /nfs/dbraw/zinc/94/66/73/1117946673.db2.gz CGOZYPGKJIGUGQ-ZDUSSCGKSA-N 0 1 267.417 3.813 20 0 CHADMN CCCC[C@@H](C)[N@@H+](CCCC)Cc1nnc(CC)o1 ZINC000339649265 1117947017 /nfs/dbraw/zinc/94/70/17/1117947017.db2.gz CGOZYPGKJIGUGQ-CYBMUJFWSA-N 0 1 267.417 3.813 20 0 CHADMN CCCC[C@@H](C)N(CCCC)Cc1nnc(CC)o1 ZINC000339649265 1117947020 /nfs/dbraw/zinc/94/70/20/1117947020.db2.gz CGOZYPGKJIGUGQ-CYBMUJFWSA-N 0 1 267.417 3.813 20 0 CHADMN c1nc2c(s1)CCC[C@@H]2NCCOC1CCCCCC1 ZINC000623895931 1117950311 /nfs/dbraw/zinc/95/03/11/1117950311.db2.gz CBOCVSVQGHGEOE-AWEZNQCLSA-N 0 1 294.464 3.850 20 0 CHADMN Cc1ccnc(CN2CCC[C@H]2c2cccc(C)c2C)n1 ZINC000339664318 1117950469 /nfs/dbraw/zinc/95/04/69/1117950469.db2.gz ZAEHJVUXIIFKAR-KRWDZBQOSA-N 0 1 281.403 3.739 20 0 CHADMN CCC[C@H](CNCc1c(F)ccc(F)c1Cl)OC ZINC000705556231 1117998375 /nfs/dbraw/zinc/99/83/75/1117998375.db2.gz SYXWPNRRYDTVLW-SECBINFHSA-N 0 1 277.742 3.523 20 0 CHADMN CCN(C(=O)c1cccc2c[nH]nc21)c1cccc(C)c1C ZINC000510129472 1117952663 /nfs/dbraw/zinc/95/26/63/1117952663.db2.gz WNBIURQFAVMFCJ-UHFFFAOYSA-N 0 1 293.370 3.846 20 0 CHADMN Cc1csc([C@H](C)NC[C@@H](C)Oc2ccccc2)n1 ZINC000623915029 1117954053 /nfs/dbraw/zinc/95/40/53/1117954053.db2.gz RVPAQBKDAHGPMY-OLZOCXBDSA-N 0 1 276.405 3.570 20 0 CHADMN CCCc1nc(CN2CC[C@@H](CC3CC3)C2)cs1 ZINC000339684051 1117954358 /nfs/dbraw/zinc/95/43/58/1117954358.db2.gz PXRAHKZLWLYMMG-ZDUSSCGKSA-N 0 1 264.438 3.718 20 0 CHADMN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@@H](CC2CC2)C1 ZINC000339685784 1117954451 /nfs/dbraw/zinc/95/44/51/1117954451.db2.gz HKAWMCKQKIPXQX-JSGCOSHPSA-N 0 1 297.402 3.518 20 0 CHADMN CC1=C[C@@H](C)CN([C@H](C)c2nc3ccccc3o2)C1 ZINC000430264786 1117958548 /nfs/dbraw/zinc/95/85/48/1117958548.db2.gz STFKVXZPRWKZFJ-DGCLKSJQSA-N 0 1 256.349 3.787 20 0 CHADMN CCc1ccccc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000510133589 1117960206 /nfs/dbraw/zinc/96/02/06/1117960206.db2.gz NHMNWHGMBXWOKW-QGZVFWFLSA-N 0 1 269.392 3.699 20 0 CHADMN CCc1ccccc1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000510133589 1117960208 /nfs/dbraw/zinc/96/02/08/1117960208.db2.gz NHMNWHGMBXWOKW-QGZVFWFLSA-N 0 1 269.392 3.699 20 0 CHADMN CC(C)[C@]1(CO)CCCN([C@@H](C)c2c(F)cccc2F)C1 ZINC000339701907 1117960596 /nfs/dbraw/zinc/96/05/96/1117960596.db2.gz OTUWOLPFKXLKCS-SUMWQHHRSA-N 0 1 297.389 3.756 20 0 CHADMN CC(C)O[C@@H]1C[C@@H](N[C@H]2CCCc3scnc32)C1(C)C ZINC000623961616 1117962394 /nfs/dbraw/zinc/96/23/94/1117962394.db2.gz JJHYZYUVIUSIBY-IACUBPJLSA-N 0 1 294.464 3.702 20 0 CHADMN CC(C)C[C@@H]1C[C@H]1N[C@H]1CCCc2scnc21 ZINC000623998926 1117968021 /nfs/dbraw/zinc/96/80/21/1117968021.db2.gz FVDRHMZGMGXVGO-GRYCIOLGSA-N 0 1 250.411 3.545 20 0 CHADMN Cc1cccc(NC(=O)[C@H](C)N2CC(C)=C[C@H](C)C2)c1C ZINC000430269797 1117969998 /nfs/dbraw/zinc/96/99/98/1117969998.db2.gz SIAUJILWRPKEFI-LRDDRELGSA-N 0 1 286.419 3.528 20 0 CHADMN CC[C@H](C)Oc1cc(CNCc2ccco2)ccc1OC ZINC000624019249 1117971594 /nfs/dbraw/zinc/97/15/94/1117971594.db2.gz LFGBRQSTXKEFTF-ZDUSSCGKSA-N 0 1 289.375 3.755 20 0 CHADMN CC(C)Oc1ccccc1[C@H](C)N[C@@H](C)c1ccnn1C ZINC000232683483 1117974206 /nfs/dbraw/zinc/97/42/06/1117974206.db2.gz SKMIMRODZHMVIU-KBPBESRZSA-N 0 1 287.407 3.619 20 0 CHADMN C[C@H](NCc1ccccc1N(C)C)c1ccc(Cl)cn1 ZINC000274937795 1117974459 /nfs/dbraw/zinc/97/44/59/1117974459.db2.gz SKLDLZYMDFTLSD-LBPRGKRZSA-N 0 1 289.810 3.652 20 0 CHADMN Cc1nc(CN2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)no1 ZINC000274942580 1117975381 /nfs/dbraw/zinc/97/53/81/1117975381.db2.gz BVPWENXBCOZQAB-GVDBMIGSSA-N 0 1 297.402 3.536 20 0 CHADMN Cc1ccc(-c2ccc(CN[C@@H](C)c3cn[nH]c3)o2)cc1 ZINC000339792751 1117975458 /nfs/dbraw/zinc/97/54/58/1117975458.db2.gz SHOOBVOPRCAEEV-ZDUSSCGKSA-N 0 1 281.359 3.829 20 0 CHADMN CCC[C@@H](CN[C@@H](c1ccccc1)c1ccccn1)OCC ZINC000624050132 1117976681 /nfs/dbraw/zinc/97/66/81/1117976681.db2.gz ZMOVBFXBUBHAPK-HKUYNNGSSA-N 0 1 298.430 3.966 20 0 CHADMN Cc1ccccc1[C@@H](C)NCc1c(C(F)(F)F)cnn1C ZINC000624052145 1117977425 /nfs/dbraw/zinc/97/74/25/1117977425.db2.gz YZYDCKCKROJPHU-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN C[C@H]([NH2+][C@H]1CC=CCC1)c1ccc(Br)cc1[O-] ZINC000186057148 1117979447 /nfs/dbraw/zinc/97/94/47/1117979447.db2.gz FUOBESQLLRBPFC-JQWIXIFHSA-N 0 1 296.208 3.914 20 0 CHADMN CC(C)CC[C@@H](CO)N[C@@H](C)c1csc(C(C)C)n1 ZINC000624110898 1117982851 /nfs/dbraw/zinc/98/28/51/1117982851.db2.gz IRRLHXVSFHFUFH-STQMWFEESA-N 0 1 284.469 3.714 20 0 CHADMN CC(C)(NCc1ccnc(Cl)c1)c1cccc(F)c1 ZINC000179571650 1128747857 /nfs/dbraw/zinc/74/78/57/1128747857.db2.gz BEPMVGLKTOZQTI-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN Cc1cc([C@H](C)NC(=O)c2ccc3cncn3c2)c(C)s1 ZINC000339850867 1117986757 /nfs/dbraw/zinc/98/67/57/1117986757.db2.gz TWDXKXWSZVNMNE-NSHDSACASA-N 0 1 299.399 3.504 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@H+]([C@@H](C)c2cccc(Cl)c2)C1 ZINC000232765528 1117988022 /nfs/dbraw/zinc/98/80/22/1117988022.db2.gz SWZSSZGSXIFCAA-LRDDRELGSA-N 0 1 295.810 3.834 20 0 CHADMN CCC(F)(F)CN[C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000624147497 1117989076 /nfs/dbraw/zinc/98/90/76/1117989076.db2.gz BXHISISJNJKEDW-NEPJUHHUSA-N 0 1 271.351 3.822 20 0 CHADMN CCc1cnc(CNCc2cccc3cnccc32)s1 ZINC000228559015 1117989815 /nfs/dbraw/zinc/98/98/15/1117989815.db2.gz HGZOYLXBIZHRQR-UHFFFAOYSA-N 0 1 283.400 3.544 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)Cc3c(C)cccc3C)ccc12 ZINC000181026770 1117993040 /nfs/dbraw/zinc/99/30/40/1117993040.db2.gz KUZYQAKVBMXJNN-UHFFFAOYSA-N 0 1 293.370 3.669 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2nc3ccccc3s2)C1 ZINC000430284293 1117994004 /nfs/dbraw/zinc/99/40/04/1117994004.db2.gz LLXZDGIBLZXGGO-LLVKDONJSA-N 0 1 258.390 3.694 20 0 CHADMN Cc1cccc2c1ccnc2NC[C@@H](c1ccco1)N(C)C ZINC000579467566 1128749057 /nfs/dbraw/zinc/74/90/57/1128749057.db2.gz GUAUKWHSULOXQO-INIZCTEOSA-N 0 1 295.386 3.851 20 0 CHADMN CC(C)CCN(C)Cc1cc2c(cc1Cl)OCCO2 ZINC001167101283 1118004695 /nfs/dbraw/zinc/00/46/95/1118004695.db2.gz UQICNBGHAKGTGG-UHFFFAOYSA-N 0 1 283.799 3.589 20 0 CHADMN COc1ccnc(N(Cc2ccccn2)C2CCCCC2)c1 ZINC001167100048 1118005179 /nfs/dbraw/zinc/00/51/79/1118005179.db2.gz MEBPYRTULKDBME-UHFFFAOYSA-N 0 1 297.402 3.825 20 0 CHADMN C[C@H](C[NH2+]Cc1cccc([O-])c1Cl)C(C)(C)C ZINC000383195987 1118012727 /nfs/dbraw/zinc/01/27/27/1118012727.db2.gz SZLFEIJCXNULCQ-SNVBAGLBSA-N 0 1 255.789 3.817 20 0 CHADMN C[C@H](N[C@H]1CCCc2ccc(Cl)cc21)c1ccncn1 ZINC000624221049 1118017678 /nfs/dbraw/zinc/01/76/78/1118017678.db2.gz MKVNWSPIWHWRKZ-ZBEGNZNMSA-N 0 1 287.794 3.858 20 0 CHADMN Cc1nc(-c2ccccc2)sc1[C@@H](C)NCc1cn[nH]c1 ZINC000624217097 1118018411 /nfs/dbraw/zinc/01/84/11/1118018411.db2.gz BEEOQHTZUXOWOW-LLVKDONJSA-N 0 1 298.415 3.692 20 0 CHADMN Cc1cccc(CCCSc2nc(C3CC3)n[nH]2)c1 ZINC000182271262 1118018563 /nfs/dbraw/zinc/01/85/63/1118018563.db2.gz NTJKVDAXYUFZEQ-UHFFFAOYSA-N 0 1 273.405 3.715 20 0 CHADMN Cc1cccc(CCCSc2n[nH]c(C3CC3)n2)c1 ZINC000182271262 1118018565 /nfs/dbraw/zinc/01/85/65/1118018565.db2.gz NTJKVDAXYUFZEQ-UHFFFAOYSA-N 0 1 273.405 3.715 20 0 CHADMN CC/C=C\CCCCCC[N@@H+]1C[C@H](CO)C[C@H](F)C1 ZINC001209286403 1118023790 /nfs/dbraw/zinc/02/37/90/1118023790.db2.gz DUVDMPMYTTZIDN-JNXQLMTMSA-N 0 1 271.420 3.555 20 0 CHADMN CCC(CC)N(CC)c1nc2[nH]cnc2cc1Cl ZINC001167111309 1118026218 /nfs/dbraw/zinc/02/62/18/1118026218.db2.gz KJJMYUMLPXVSBN-UHFFFAOYSA-N 0 1 266.776 3.626 20 0 CHADMN Cc1cc(CN(Cc2ccccc2)C[Si](C)(C)C)no1 ZINC001206818831 1118030256 /nfs/dbraw/zinc/03/02/56/1118030256.db2.gz IVLBMFKMEWDCHI-UHFFFAOYSA-N 0 1 288.467 3.863 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1csc(C(F)(F)F)c1 ZINC000624260164 1118032189 /nfs/dbraw/zinc/03/21/89/1118032189.db2.gz DNJVDKKVUCZXGB-SSDOTTSWSA-N 0 1 289.326 3.649 20 0 CHADMN CC(C)CN(Cc1ncc(C(C)C)s1)C1CC1 ZINC000182998779 1118034509 /nfs/dbraw/zinc/03/45/09/1118034509.db2.gz XWOCREMLYNMWNX-UHFFFAOYSA-N 0 1 252.427 3.887 20 0 CHADMN CC[C@@H]1CCC[C@@H](CN(C)Cc2nccn2C(F)F)C1 ZINC000182993894 1118035284 /nfs/dbraw/zinc/03/52/84/1118035284.db2.gz LURJRDHRLZDNKJ-CHWSQXEVSA-N 0 1 285.382 3.926 20 0 CHADMN COc1ccc(OC)c(CN[C@@H](C)c2ccc(C)cc2)c1 ZINC000037769896 1118037645 /nfs/dbraw/zinc/03/76/45/1118037645.db2.gz SEVAOXFRZDFMBR-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN CSCC[C@H](C)N(C)Cc1ncc(C(C)C)s1 ZINC000183087781 1118038624 /nfs/dbraw/zinc/03/86/24/1118038624.db2.gz VNOCPXIGPVZHTI-NSHDSACASA-N 0 1 272.483 3.840 20 0 CHADMN Cc1cc(OCc2ncccc2C(F)(F)F)cc(C)n1 ZINC000683330383 1118044534 /nfs/dbraw/zinc/04/45/34/1118044534.db2.gz MJZAHOZXLLBLLC-UHFFFAOYSA-N 0 1 282.265 3.691 20 0 CHADMN COc1ccc([C@H](C)CN2CCn3cccc3[C@H]2C)cc1 ZINC000183512233 1118046066 /nfs/dbraw/zinc/04/60/66/1118046066.db2.gz NZSBVQMNFCCDIJ-HUUCEWRRSA-N 0 1 284.403 3.677 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN(C)Cc1ccncc1 ZINC000183741368 1118048305 /nfs/dbraw/zinc/04/83/05/1118048305.db2.gz GVCZYUHDFBIBEW-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CC[N@H+](Cc1csc(C(C)(C)C)n1)CC(C)C ZINC000046064764 1118054117 /nfs/dbraw/zinc/05/41/17/1118054117.db2.gz ZUTCOIKQGITFPS-UHFFFAOYSA-N 0 1 254.443 3.919 20 0 CHADMN CCN(Cc1csc(C(C)(C)C)n1)CC(C)C ZINC000046064764 1118054121 /nfs/dbraw/zinc/05/41/21/1118054121.db2.gz ZUTCOIKQGITFPS-UHFFFAOYSA-N 0 1 254.443 3.919 20 0 CHADMN CC(C)N(C(=O)CN1CCC[C@H]1c1ccsc1)C(C)C ZINC000046088715 1118055617 /nfs/dbraw/zinc/05/56/17/1118055617.db2.gz DOAWKILLYZNEFS-HNNXBMFYSA-N 0 1 294.464 3.530 20 0 CHADMN C[C@@H]1CCN(Cc2ccccc2N2CCCCC2)C[C@H]1F ZINC000779151469 1128752996 /nfs/dbraw/zinc/75/29/96/1128752996.db2.gz YEBLQGQBGTYDRK-NVXWUHKLSA-N 0 1 290.426 3.857 20 0 CHADMN CCCC[C@@H](NCc1nc([C@H](C)OCC)no1)C1CCC1 ZINC000184869268 1118057891 /nfs/dbraw/zinc/05/78/91/1118057891.db2.gz UCLBVOLOLSVFDU-GXTWGEPZSA-N 0 1 295.427 3.616 20 0 CHADMN CC[C@H](NCCOc1ccccc1Cl)c1nccs1 ZINC000185115685 1118060203 /nfs/dbraw/zinc/06/02/03/1118060203.db2.gz MRDFNCNRBCWVHH-LBPRGKRZSA-N 0 1 296.823 3.916 20 0 CHADMN CCN(Cc1csc(Cl)c1Cl)C[C@H]1CCOC1 ZINC000683350414 1118062899 /nfs/dbraw/zinc/06/28/99/1118062899.db2.gz IKFXULJUNPZJLB-SECBINFHSA-N 0 1 294.247 3.913 20 0 CHADMN O=C1CCN(CCC23CC4CC(CC(C4)C2)C3)CC[C@H]1F ZINC001209446418 1118064225 /nfs/dbraw/zinc/06/42/25/1118064225.db2.gz YJLWWUJMHULRFO-QFQXCOSMSA-N 0 1 293.426 3.596 20 0 CHADMN CC(C)c1ncc(CN[C@@H](c2cccnc2)C2CC2)s1 ZINC000340102396 1118064613 /nfs/dbraw/zinc/06/46/13/1118064613.db2.gz AITZYUZHFKAIDG-OAHLLOKOSA-N 0 1 287.432 3.902 20 0 CHADMN Cc1nc(C[N@H+](CC2CCC2)C(C)C)nc2ccccc12 ZINC000193204786 1118065773 /nfs/dbraw/zinc/06/57/73/1118065773.db2.gz AHLCWFDKLBEHCA-UHFFFAOYSA-N 0 1 283.419 3.949 20 0 CHADMN CC(C)N(Cc1ccncc1Br)C1CCCC1 ZINC000625252166 1118067724 /nfs/dbraw/zinc/06/77/24/1118067724.db2.gz QPWKPEGWYAFGAD-UHFFFAOYSA-N 0 1 297.240 3.997 20 0 CHADMN Cc1ncccc1CN[C@H](C)c1ccc(Cl)s1 ZINC000093115641 1118070496 /nfs/dbraw/zinc/07/04/96/1118070496.db2.gz DNASCDFIYVRVLF-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN CCN1CCC[C@@H]1c1cccc(Br)c1 ZINC000077204335 1118073566 /nfs/dbraw/zinc/07/35/66/1118073566.db2.gz DARRXLNZZUQKJS-GFCCVEGCSA-N 0 1 254.171 3.606 20 0 CHADMN Cc1ccc(CNCCC(F)(F)F)c(Cl)c1 ZINC000235773132 1118076730 /nfs/dbraw/zinc/07/67/30/1118076730.db2.gz XEOYLMKCRBSXLC-UHFFFAOYSA-N 0 1 251.679 3.690 20 0 CHADMN CCN(Cc1cncs1)Cc1ccc(C)c(C)c1 ZINC001209550334 1118078228 /nfs/dbraw/zinc/07/82/28/1118078228.db2.gz CGTSXRLUHCSWRO-UHFFFAOYSA-N 0 1 260.406 3.782 20 0 CHADMN C[C@H]1CCN(Cc2c(F)cccc2C(F)(F)F)C1 ZINC001204460015 1118089846 /nfs/dbraw/zinc/08/98/46/1118089846.db2.gz HBINKEHWTNWMJF-VIFPVBQESA-N 0 1 261.262 3.686 20 0 CHADMN CCN(Cc1cccs1)Cc1ncc(C)c(OC)c1C ZINC000067226576 1118093113 /nfs/dbraw/zinc/09/31/13/1118093113.db2.gz VEEARFUYVJEEKT-UHFFFAOYSA-N 0 1 290.432 3.791 20 0 CHADMN c1sc2ccccc2c1-c1cccc2[nH]nnc21 ZINC001238890832 1118097418 /nfs/dbraw/zinc/09/74/18/1118097418.db2.gz QRESQLDNCVSJFQ-UHFFFAOYSA-N 0 1 251.314 3.840 20 0 CHADMN c1ccc(C2(NCc3nc4ccccc4[nH]3)CCC2)cc1 ZINC000340174013 1118097473 /nfs/dbraw/zinc/09/74/73/1118097473.db2.gz ZERWKEXAJADGAX-UHFFFAOYSA-N 0 1 277.371 3.732 20 0 CHADMN CCc1nocc1CN[C@@H](C)c1ccc(F)cc1C ZINC000932562588 1118102150 /nfs/dbraw/zinc/10/21/50/1118102150.db2.gz MTYKCQWEVZDAGJ-NSHDSACASA-N 0 1 262.328 3.535 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccco1)c1ccc2c(c1)CCC(=O)N2 ZINC000764628313 1118103250 /nfs/dbraw/zinc/10/32/50/1118103250.db2.gz MDOYXRLPNIXCAL-NEPJUHHUSA-N 0 1 284.359 3.576 20 0 CHADMN CN(c1ccccc1)c1ccc(CNCc2ccoc2)cn1 ZINC000340200881 1118110612 /nfs/dbraw/zinc/11/06/12/1118110612.db2.gz ZCLCTPUTOWSAJH-UHFFFAOYSA-N 0 1 293.370 3.732 20 0 CHADMN CC[C@H](C)[C@@H](CNc1ccc2cnccc2c1)OC ZINC000653468898 1118114825 /nfs/dbraw/zinc/11/48/25/1118114825.db2.gz JTEGJJAGKUPUNI-BLLLJJGKSA-N 0 1 258.365 3.708 20 0 CHADMN CC[C@@H](COC)NCc1csc(-c2ccc(C)cc2)n1 ZINC000120219999 1118119272 /nfs/dbraw/zinc/11/92/72/1118119272.db2.gz ZMWISOZRVNERFA-AWEZNQCLSA-N 0 1 290.432 3.633 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(Cl)cc2ncoc21 ZINC001209972675 1118123568 /nfs/dbraw/zinc/12/35/68/1118123568.db2.gz PKRFFSOEVQRPQQ-UHFFFAOYSA-N 0 1 274.711 3.510 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnc(C)nc1C)c1ccccc1OC ZINC000764885499 1118124537 /nfs/dbraw/zinc/12/45/37/1118124537.db2.gz YFCIEENGTILIIO-SUMWQHHRSA-N 0 1 299.418 3.904 20 0 CHADMN CCCc1ccc(CN[C@@H](C)c2ccncc2OC)s1 ZINC000621348418 1118125744 /nfs/dbraw/zinc/12/57/44/1118125744.db2.gz YSASIXGGELTYBX-LBPRGKRZSA-N 0 1 290.432 3.955 20 0 CHADMN CCOC(=O)[C@@H]1CCCN([C@H](C)c2ccc(Cl)cc2)C1 ZINC000250705944 1118127723 /nfs/dbraw/zinc/12/77/23/1118127723.db2.gz WHCSWXWWSPUSFH-TZMCWYRMSA-N 0 1 295.810 3.676 20 0 CHADMN FCCCCO[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001209986888 1118128349 /nfs/dbraw/zinc/12/83/49/1118128349.db2.gz AHNYLNBGCMTWJJ-CQSZACIVSA-N 0 1 285.790 3.681 20 0 CHADMN C[C@@H]1C[N@@H+](CC2(C)CCC2)C[C@@H](c2ccsc2)O1 ZINC000340288083 1118131983 /nfs/dbraw/zinc/13/19/83/1118131983.db2.gz LLMAZJXMUOWFIC-OCCSQVGLSA-N 0 1 265.422 3.700 20 0 CHADMN C[C@@H]1CN(CC2(C)CCC2)C[C@@H](c2ccsc2)O1 ZINC000340288083 1118131986 /nfs/dbraw/zinc/13/19/86/1118131986.db2.gz LLMAZJXMUOWFIC-OCCSQVGLSA-N 0 1 265.422 3.700 20 0 CHADMN CCn1nc(C)c(CN2CCCCC[C@@H]2c2ccccc2)n1 ZINC001167271022 1118136266 /nfs/dbraw/zinc/13/62/66/1118136266.db2.gz SRRYFGBIPMPOFH-GOSISDBHSA-N 0 1 298.434 3.724 20 0 CHADMN COc1ccc(CNCc2ccc(F)cc2F)c(C)c1 ZINC000765261071 1118140935 /nfs/dbraw/zinc/14/09/35/1118140935.db2.gz MGVJNLOCSZRFKZ-UHFFFAOYSA-N 0 1 277.314 3.572 20 0 CHADMN CCCOc1ncccc1CN[C@H]1CCc2cc(C)ccc21 ZINC000765332583 1118145091 /nfs/dbraw/zinc/14/50/91/1118145091.db2.gz RMNXCUUWKPAMDS-SFHVURJKSA-N 0 1 296.414 3.956 20 0 CHADMN COc1cccc(-c2nc3cccc(C)c3[nH]2)c1F ZINC000397455257 1118146124 /nfs/dbraw/zinc/14/61/24/1118146124.db2.gz TWPYBKWIRKFAKT-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN Cc1cccc(CNCc2nccc3c2CCCC3)c1 ZINC000921512055 1118147344 /nfs/dbraw/zinc/14/73/44/1118147344.db2.gz ZIHVIYXRYKAPHG-UHFFFAOYSA-N 0 1 266.388 3.559 20 0 CHADMN CC[C@H](C(=O)Nc1ccc(SC(C)(C)C)cc1)N(C)C ZINC000765386629 1118148496 /nfs/dbraw/zinc/14/84/96/1118148496.db2.gz UDWQHEUXXKSNFD-CQSZACIVSA-N 0 1 294.464 3.856 20 0 CHADMN CCOc1ccc([C@H](C)NCc2cccc3c2OCC3)cc1 ZINC000921512398 1118150043 /nfs/dbraw/zinc/15/00/43/1118150043.db2.gz IYGNIJJPQBTYJE-AWEZNQCLSA-N 0 1 297.398 3.871 20 0 CHADMN C[C@@H](COc1ccccc1)N[C@@H](C)c1cccnc1Cl ZINC000765442321 1118153332 /nfs/dbraw/zinc/15/33/32/1118153332.db2.gz ZJXKMIPDKQKOIC-STQMWFEESA-N 0 1 290.794 3.853 20 0 CHADMN Cn1cc(CNCc2cccc(F)c2)c(C2CCCC2)n1 ZINC000921515538 1118155027 /nfs/dbraw/zinc/15/50/27/1118155027.db2.gz RGBXZYHJSAJFBX-UHFFFAOYSA-N 0 1 287.382 3.507 20 0 CHADMN Cc1ccc2nc(CN[C@@H]3CCCc4occc43)[nH]c2c1 ZINC000579913730 1118155591 /nfs/dbraw/zinc/15/55/91/1118155591.db2.gz DNZQYZQNOTXXGF-CYBMUJFWSA-N 0 1 281.359 3.632 20 0 CHADMN C[C@@H](NCCCOc1ccc2ccccc2c1)c1ccon1 ZINC000542650176 1118160072 /nfs/dbraw/zinc/16/00/72/1118160072.db2.gz PYFMNRQZJDVPAY-CQSZACIVSA-N 0 1 296.370 3.948 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC(C)CC1 ZINC000014915392 1118165452 /nfs/dbraw/zinc/16/54/52/1118165452.db2.gz AZMBMULFHHQAAF-CYBMUJFWSA-N 0 1 294.826 3.707 20 0 CHADMN c1nnc(CN(C2CC2)C2CCCCC2)n1-c1ccccc1 ZINC000683518517 1118168027 /nfs/dbraw/zinc/16/80/27/1118168027.db2.gz OUCDJTIPIDTBIZ-UHFFFAOYSA-N 0 1 296.418 3.564 20 0 CHADMN CCc1ccc(CN(Cc2cnn(CC)c2)C(C)C)s1 ZINC000651959506 1118172969 /nfs/dbraw/zinc/17/29/69/1118172969.db2.gz PLNGWAFFPZDQCQ-UHFFFAOYSA-N 0 1 291.464 3.938 20 0 CHADMN Cc1ccc(CN(C)CCC2CC2)c(Br)c1 ZINC001137808406 1118180496 /nfs/dbraw/zinc/18/04/96/1118180496.db2.gz NNNBKGVQHBFIJB-UHFFFAOYSA-N 0 1 282.225 3.989 20 0 CHADMN CC(C)[C@@H](N[C@H]1CCCn2ccnc21)c1ccccc1 ZINC000655695375 1118186118 /nfs/dbraw/zinc/18/61/18/1118186118.db2.gz KPFMXVGWRUWKCW-JKSUJKDBSA-N 0 1 269.392 3.705 20 0 CHADMN CC[C@@H](N[C@H]1CCCn2ccnc21)c1ccc(C)cc1 ZINC000655694097 1118186770 /nfs/dbraw/zinc/18/67/70/1118186770.db2.gz ZLUCTDDNVRCMKQ-CVEARBPZSA-N 0 1 269.392 3.767 20 0 CHADMN c1cc(OCCCC2CCOCC2)c2c(n1)CCCC2 ZINC000655701218 1118188227 /nfs/dbraw/zinc/18/82/27/1118188227.db2.gz CLBFEJPATIPDKU-UHFFFAOYSA-N 0 1 275.392 3.546 20 0 CHADMN CCCCC[C@H](NCc1nc([C@H](C)OC)no1)C(C)(C)C ZINC000179922198 1128765330 /nfs/dbraw/zinc/76/53/30/1128765330.db2.gz VBSYBHDOLYFZQH-STQMWFEESA-N 0 1 297.443 3.862 20 0 CHADMN Cc1cccnc1[C@@H](N[C@H](C)c1cncnc1C)C(C)C ZINC000655716846 1118193256 /nfs/dbraw/zinc/19/32/56/1118193256.db2.gz YPCVEFIQNXTJOI-ZBFHGGJFSA-N 0 1 284.407 3.536 20 0 CHADMN C[C@H](NCc1cccc2c1OCC2)c1cccs1 ZINC000693089900 1118195418 /nfs/dbraw/zinc/19/54/18/1118195418.db2.gz DOTLWAZIYAGSBE-NSHDSACASA-N 0 1 259.374 3.534 20 0 CHADMN CC1(C)C[C@H](N[C@H]2CCCn3ccnc32)c2ccccc21 ZINC000655735761 1118196727 /nfs/dbraw/zinc/19/67/27/1118196727.db2.gz YJKSTCAYLLQYEW-HOTGVXAUSA-N 0 1 281.403 3.730 20 0 CHADMN CCN(c1ccc(NCc2cc[nH]c(=O)c2)cc1)C(C)C ZINC000921569931 1118201355 /nfs/dbraw/zinc/20/13/55/1118201355.db2.gz RTWQVIGILIODTN-UHFFFAOYSA-N 0 1 285.391 3.634 20 0 CHADMN Cc1cc2c(c(C)c1)[C@H](N[C@H](CCO)c1ccco1)CC2 ZINC000655756648 1118203757 /nfs/dbraw/zinc/20/37/57/1118203757.db2.gz IKFHWTSMIVSGNI-HZPDHXFCSA-N 0 1 285.387 3.597 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@H]1CCCc2sccc21 ZINC000655757835 1118204334 /nfs/dbraw/zinc/20/43/34/1118204334.db2.gz YFRXHYZQSOMPJM-RISCZKNCSA-N 0 1 273.405 3.575 20 0 CHADMN CCCCCCN(CC)CC(=O)Nc1c(F)cccc1F ZINC000176984919 1118204656 /nfs/dbraw/zinc/20/46/56/1118204656.db2.gz PLHCKJZEKDRWEJ-UHFFFAOYSA-N 0 1 298.377 3.806 20 0 CHADMN Fc1cccc2c1CC[C@H]2NCc1ccnn1C1CCC1 ZINC000921612349 1118205033 /nfs/dbraw/zinc/20/50/33/1118205033.db2.gz BSADHNFHYIJUKZ-QGZVFWFLSA-N 0 1 285.366 3.524 20 0 CHADMN C=CCN(Cc1cccc(Cl)c1O)CC(F)(F)F ZINC000179845597 1128762606 /nfs/dbraw/zinc/76/26/06/1128762606.db2.gz VRPGFFKPBYIWRT-UHFFFAOYSA-N 0 1 279.689 3.596 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2NCc1ccnn1C1CCC1 ZINC000921615308 1118205783 /nfs/dbraw/zinc/20/57/83/1118205783.db2.gz ULOOKHOEQYBIAH-QGZVFWFLSA-N 0 1 285.366 3.524 20 0 CHADMN C[C@H]([NH2+]CC1(C2CC2)CC1)c1cc(Cl)ccc1[O-] ZINC000186161765 1118206886 /nfs/dbraw/zinc/20/68/86/1118206886.db2.gz FWYGOMRZRLRMNW-JTQLQIEISA-N 0 1 265.784 3.886 20 0 CHADMN Cc1cc2c(c(C)c1)[C@@H](N[C@H]1C[C@H](C)n3ccnc31)CC2 ZINC000655771811 1118207469 /nfs/dbraw/zinc/20/74/69/1118207469.db2.gz GLAWPPMHNSXUSB-BPUTZDHNSA-N 0 1 281.403 3.783 20 0 CHADMN C[C@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2Cl)C1 ZINC000026466903 1118208735 /nfs/dbraw/zinc/20/87/35/1118208735.db2.gz OOMVDMKPBQZJQB-QWHCGFSZSA-N 0 1 294.826 3.789 20 0 CHADMN CC(C)=CCC[C@H](C)CC(=O)NCc1ccc2nc[nH]c2c1 ZINC000615795181 1128762830 /nfs/dbraw/zinc/76/28/30/1128762830.db2.gz ZIBRPLRPLWKXMX-AWEZNQCLSA-N 0 1 299.418 3.952 20 0 CHADMN CCn1nc(-c2nc3ccc(C)cc3[nH]2)c2ccccc21 ZINC000471428145 1118214144 /nfs/dbraw/zinc/21/41/44/1118214144.db2.gz QNGICZWEQNLYBU-UHFFFAOYSA-N 0 1 276.343 3.908 20 0 CHADMN COc1c(C)cccc1CN[C@H](C)c1cncc(C)c1 ZINC000655812643 1118219934 /nfs/dbraw/zinc/21/99/34/1118219934.db2.gz QIDLIJDKQZFQBX-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN COc1c(C)cccc1CN[C@H](C)c1cccc(F)c1 ZINC000655810861 1118220462 /nfs/dbraw/zinc/22/04/62/1118220462.db2.gz OELHFIXNDCRHEG-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1cccc(C)c1OC)CC2 ZINC000655810104 1118221062 /nfs/dbraw/zinc/22/10/62/1118221062.db2.gz HPUWVCXQRYQADL-SFHVURJKSA-N 0 1 297.398 3.789 20 0 CHADMN Cc1nc2cccc(C(=O)NC(C)(C)c3ccccc3)c2[nH]1 ZINC000338581464 1118226560 /nfs/dbraw/zinc/22/65/60/1118226560.db2.gz QMPJGPMBLBYZJF-UHFFFAOYSA-N 0 1 293.370 3.536 20 0 CHADMN COc1c(C)cccc1CNCc1ccc(F)c(C)c1 ZINC000655832554 1118226805 /nfs/dbraw/zinc/22/68/05/1118226805.db2.gz WLGALPQKCIYAIE-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN C[C@@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccccc1Cl ZINC000655840140 1118236476 /nfs/dbraw/zinc/23/64/76/1118236476.db2.gz LBQIKTFXHOLFHG-NVGVWMPQSA-N 0 1 287.790 3.649 20 0 CHADMN CCC1(C(=O)NCc2ccc3nc[nH]c3c2)CCCCC1 ZINC000615792472 1128764447 /nfs/dbraw/zinc/76/44/47/1128764447.db2.gz OTOBENBIFUMGJA-UHFFFAOYSA-N 0 1 285.391 3.540 20 0 CHADMN COC[C@H](CC(C)(C)C)NCc1ncc(C(C)C)s1 ZINC000655844119 1118237416 /nfs/dbraw/zinc/23/74/16/1118237416.db2.gz ZQOBSVITPPTSIA-LBPRGKRZSA-N 0 1 284.469 3.807 20 0 CHADMN CC[C@H](N[C@@H](C)c1nc(C)sc1C)[C@H]1CCCCO1 ZINC000655848681 1118238114 /nfs/dbraw/zinc/23/81/14/1118238114.db2.gz JRPDDJQWWUIVIC-LEWSCRJBSA-N 0 1 282.453 3.758 20 0 CHADMN C[C@H](NCc1cnc2ccccn12)c1ccccc1Cl ZINC000121815059 1118239333 /nfs/dbraw/zinc/23/93/33/1118239333.db2.gz SPPVUAVNJUUSIV-LBPRGKRZSA-N 0 1 285.778 3.839 20 0 CHADMN Cc1cccc2c1OCC[C@H]2NCc1cccc2c1OCC2 ZINC000921631729 1118241001 /nfs/dbraw/zinc/24/10/01/1118241001.db2.gz FRIZFAKPBFYQHI-QGZVFWFLSA-N 0 1 295.382 3.543 20 0 CHADMN CCCN1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1C ZINC000110480241 1118242913 /nfs/dbraw/zinc/24/29/13/1118242913.db2.gz QCACYOQZDPLCIU-HNNXBMFYSA-N 0 1 294.826 3.851 20 0 CHADMN O=C([O-])[C@]1(c2ccccc2)CC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000579961221 1118245857 /nfs/dbraw/zinc/24/58/57/1118245857.db2.gz CJUBRYSCHIRBHO-PKOBYXMFSA-N 0 1 299.414 3.604 20 0 CHADMN CC[C@@H](C)C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615812195 1128765241 /nfs/dbraw/zinc/76/52/41/1128765241.db2.gz GVXAQQTWFUZFKI-NXEZZACHSA-N 0 1 293.798 3.782 20 0 CHADMN CN(Cc1ncc(Cl)n1C)C[C@H]1CCCC(C)(C)C1 ZINC000779162527 1128765236 /nfs/dbraw/zinc/76/52/36/1128765236.db2.gz WADGFDLSAYAEOV-LBPRGKRZSA-N 0 1 283.847 3.722 20 0 CHADMN CCc1noc(C)c1CN[C@@H]1c2ccccc2C[C@H]1C ZINC000340442142 1118251630 /nfs/dbraw/zinc/25/16/30/1118251630.db2.gz NFZZANLPPUAEMW-DIFFPNOSSA-N 0 1 270.376 3.569 20 0 CHADMN COc1ccc(OC)c(CN(CC=C(C)C)C2CC2)c1 ZINC000045784113 1118257703 /nfs/dbraw/zinc/25/77/03/1118257703.db2.gz MFNQFLOOZCWHEO-UHFFFAOYSA-N 0 1 275.392 3.634 20 0 CHADMN Cc1ccc(C)c(CNCc2cn3c(cccc3C)n2)c1 ZINC000109352350 1118259015 /nfs/dbraw/zinc/25/90/15/1118259015.db2.gz RIPVBJPADVRSSZ-UHFFFAOYSA-N 0 1 279.387 3.549 20 0 CHADMN C=Cc1ccc(CNc2ccc3nc(C)[nH]c3n2)cc1 ZINC001168578061 1118266148 /nfs/dbraw/zinc/26/61/48/1118266148.db2.gz OIUBIOORQIKZQD-UHFFFAOYSA-N 0 1 264.332 3.521 20 0 CHADMN COc1cc([C@H](C)NCc2ccc(F)c(Cl)c2)ccn1 ZINC000340462349 1118267379 /nfs/dbraw/zinc/26/73/79/1118267379.db2.gz LVJXTOSMAWWNHH-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN CC(C)COc1cccc(CNCc2ccc(F)nc2)c1 ZINC000189009447 1128766618 /nfs/dbraw/zinc/76/66/18/1128766618.db2.gz QDYKSUPWRMBQFQ-UHFFFAOYSA-N 0 1 288.366 3.545 20 0 CHADMN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CC1=CCCCC1 ZINC000579979933 1118271841 /nfs/dbraw/zinc/27/18/41/1118271841.db2.gz CDOXUQFGEBQINH-IRXDYDNUSA-N 0 1 291.435 3.842 20 0 CHADMN CC(=Cc1ccccc1)CN[C@H](C)c1nnc(C(C)C)[nH]1 ZINC000282164243 1118273051 /nfs/dbraw/zinc/27/30/51/1118273051.db2.gz YAVUZWNUAPFQAQ-JWAFFJSPSA-N 0 1 284.407 3.682 20 0 CHADMN Cc1cc(Cl)nc(CNCc2ccc(C)c(F)c2)c1 ZINC000282175583 1118274961 /nfs/dbraw/zinc/27/49/61/1118274961.db2.gz ZAAXGPNDMIZYDT-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN Cn1nc(CN[C@@H]2CCCc3sccc32)c2ccccc21 ZINC000089174378 1118275390 /nfs/dbraw/zinc/27/53/90/1118275390.db2.gz KAPCPABFGYNPPA-CQSZACIVSA-N 0 1 297.427 3.802 20 0 CHADMN C[C@H]1CN(Cc2cc(F)ccc2Cl)CC[C@@H]1C ZINC001652915569 1118276156 /nfs/dbraw/zinc/27/61/56/1118276156.db2.gz XQHJMNYGSZSACY-QWRGUYRKSA-N 0 1 255.764 3.957 20 0 CHADMN C[C@H]1CCN(C(=O)c2cccc3[nH]ncc32)c2ccccc21 ZINC000058457854 1118288677 /nfs/dbraw/zinc/28/86/77/1118288677.db2.gz BGUYPFBAKIQUNW-LBPRGKRZSA-N 0 1 291.354 3.717 20 0 CHADMN COc1cccc(OC)c1CNCc1c(C)cccc1C ZINC000671717033 1118294431 /nfs/dbraw/zinc/29/44/31/1118294431.db2.gz YZJPGZSVVDKNQU-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN C[C@@H](Sc1nc(N)cc(N)n1)c1ccc2ccccc2c1 ZINC000059833338 1118295621 /nfs/dbraw/zinc/29/56/21/1118295621.db2.gz AQNFUKPQFLZMQT-SNVBAGLBSA-N 0 1 296.399 3.648 20 0 CHADMN CCc1ccc(N2CCN([C@@H](C)c3cccnc3)CC2)cc1 ZINC000076060256 1128768212 /nfs/dbraw/zinc/76/82/12/1128768212.db2.gz UDCYJDMJDTUHDW-INIZCTEOSA-N 0 1 295.430 3.527 20 0 CHADMN Fc1cccc(Cl)c1CCCN1CC=CCC1 ZINC000683708318 1118300271 /nfs/dbraw/zinc/30/02/71/1118300271.db2.gz DDKULWXOUHYHIV-UHFFFAOYSA-N 0 1 253.748 3.674 20 0 CHADMN COc1cc([C@H](C)NCc2c(C)oc3ccccc32)ccn1 ZINC000340496789 1118307149 /nfs/dbraw/zinc/30/71/49/1118307149.db2.gz KJXPQRIHLAYOLG-LBPRGKRZSA-N 0 1 296.370 3.996 20 0 CHADMN CC[C@H](CNc1cnn(-c2ccncc2)c1)c1ccccc1 ZINC001649070771 1118311927 /nfs/dbraw/zinc/31/19/27/1118311927.db2.gz KPSVOMLDSFGFNU-OAHLLOKOSA-N 0 1 292.386 3.873 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H]1F)CCS2 ZINC000340521052 1118315267 /nfs/dbraw/zinc/31/52/67/1118315267.db2.gz BHTVNOOMQDZWJP-MJBXVCDLSA-N 0 1 281.396 3.712 20 0 CHADMN Fc1ccc(CN2CCC3(CCC3)CC2)cc1F ZINC000671728037 1118315688 /nfs/dbraw/zinc/31/56/88/1118315688.db2.gz FSCFUJAUSRQJLO-UHFFFAOYSA-N 0 1 251.320 3.731 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2ncccc2F)c1 ZINC001207026314 1118316373 /nfs/dbraw/zinc/31/63/73/1118316373.db2.gz IJZPTNLNLAWVDZ-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ccn(-c2ccccc2)n1 ZINC000063517090 1118317420 /nfs/dbraw/zinc/31/74/20/1118317420.db2.gz DXCCWSKTSLMYOV-MRXNPFEDSA-N 0 1 269.392 3.637 20 0 CHADMN F[C@@H]1CCC[C@H]1N[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000340531752 1118321945 /nfs/dbraw/zinc/32/19/45/1118321945.db2.gz QGBQRBLZGBNHBC-JFIYKMOQSA-N 0 1 299.393 3.730 20 0 CHADMN COC[C@@H](NCc1csc(C)c1C)c1ccccc1 ZINC000399814145 1118324933 /nfs/dbraw/zinc/32/49/33/1118324933.db2.gz JLDRMVGWCUADJE-MRXNPFEDSA-N 0 1 275.417 3.842 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccco1 ZINC000671739595 1118327358 /nfs/dbraw/zinc/32/73/58/1118327358.db2.gz KDHCAWJIHLDSCY-NXEZZACHSA-N 0 1 272.304 3.538 20 0 CHADMN Cc1nnc(CN2CCC[C@H]2c2cccc3ccccc32)o1 ZINC000064637357 1118327526 /nfs/dbraw/zinc/32/75/26/1118327526.db2.gz IXETZLZNTQLNSL-KRWDZBQOSA-N 0 1 293.370 3.868 20 0 CHADMN C[C@H](C1CC1)[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000109131298 1118330170 /nfs/dbraw/zinc/33/01/70/1118330170.db2.gz CPMZFTYSMDNYAN-SNVBAGLBSA-N 0 1 262.378 3.633 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1ncc(-c2cccs2)o1 ZINC000109131298 1118330176 /nfs/dbraw/zinc/33/01/76/1118330176.db2.gz CPMZFTYSMDNYAN-SNVBAGLBSA-N 0 1 262.378 3.633 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cc(C)ccc1OC)CC2 ZINC000065163100 1118332350 /nfs/dbraw/zinc/33/23/50/1118332350.db2.gz NKWWAWYTVPXLBV-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN Cc1nccc(NCc2ccc3cnccc3c2)c1Cl ZINC000683751357 1118333055 /nfs/dbraw/zinc/33/30/55/1118333055.db2.gz OYTMXICULJRNSW-UHFFFAOYSA-N 0 1 283.762 3.626 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(N(C)C)cc1)CO2 ZINC000090452551 1118333567 /nfs/dbraw/zinc/33/35/67/1118333567.db2.gz JVYZQGUTDBAUGB-RDTXWAMCSA-N 0 1 296.414 3.845 20 0 CHADMN Fc1ccccc1-c1n[nH]c(SCC2=CCCC2)n1 ZINC000647114024 1118338904 /nfs/dbraw/zinc/33/89/04/1118338904.db2.gz CBFJNHGEFUFLDI-UHFFFAOYSA-N 0 1 275.352 3.813 20 0 CHADMN Cc1ccc(-c2noc([C@@H](C)N(C)CC(C)C)n2)cc1F ZINC000065962732 1118341128 /nfs/dbraw/zinc/34/11/28/1118341128.db2.gz NQCXIRUNXGTLOV-GFCCVEGCSA-N 0 1 291.370 3.833 20 0 CHADMN OCCC[C@H]1CC[N@@H+](Cc2oc3ccccc3c2Cl)C1 ZINC000639244609 1118347180 /nfs/dbraw/zinc/34/71/80/1118347180.db2.gz PLVAGRZESLXHLA-LBPRGKRZSA-N 0 1 293.794 3.681 20 0 CHADMN C[C@@H](CN(C)Cc1nnc(-c2ccco2)o1)c1ccccc1 ZINC000066854542 1118348360 /nfs/dbraw/zinc/34/83/60/1118348360.db2.gz RISRHKHSRNQNET-ZDUSSCGKSA-N 0 1 297.358 3.565 20 0 CHADMN OCCCCc1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 ZINC000150268385 1118352199 /nfs/dbraw/zinc/35/21/99/1118352199.db2.gz ZSUFQPAWPZAMGN-UHFFFAOYSA-N 0 1 292.688 3.550 20 0 CHADMN Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c(C)c1 ZINC000053300564 1118353452 /nfs/dbraw/zinc/35/34/52/1118353452.db2.gz SLXRWZCQEZXMJS-MRXNPFEDSA-N 0 1 289.419 3.831 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1cnc(-c2ccco2)s1 ZINC000683774420 1118355014 /nfs/dbraw/zinc/35/50/14/1118355014.db2.gz QYHIOTCMVYOFMY-GFCCVEGCSA-N 0 1 299.399 3.957 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1sccc1Cl ZINC000683774308 1118355212 /nfs/dbraw/zinc/35/52/12/1118355212.db2.gz ISVHEDYILNBQGA-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN CCC1(CC)CN(Cc2ccc(C(F)F)nc2)C1 ZINC000639250875 1118356568 /nfs/dbraw/zinc/35/65/68/1118356568.db2.gz XQQZNXGPUNYAHM-UHFFFAOYSA-N 0 1 254.324 3.641 20 0 CHADMN COc1ccccc1CNCc1coc2ccccc12 ZINC000083601919 1118357496 /nfs/dbraw/zinc/35/74/96/1118357496.db2.gz FWFFKWLBZJXQTM-UHFFFAOYSA-N 0 1 267.328 3.731 20 0 CHADMN COC(=O)c1cc(F)ccc1CN1C2CCCC1CCC2 ZINC000610369981 1118362182 /nfs/dbraw/zinc/36/21/82/1118362182.db2.gz IUZJYNKYQSIQAU-UHFFFAOYSA-N 0 1 291.366 3.519 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@H](C)CC(F)(F)F ZINC000468050934 1118362577 /nfs/dbraw/zinc/36/25/77/1118362577.db2.gz NRGIOPVGPCPVAO-ZJUUUORDSA-N 0 1 260.303 3.636 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2ncccc2C(F)(F)F)C1 ZINC000157992046 1118364288 /nfs/dbraw/zinc/36/42/88/1118364288.db2.gz DAOBRAHIQYPUJN-QWRGUYRKSA-N 0 1 272.314 3.578 20 0 CHADMN CCC(CC)(CC)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000683790055 1118370987 /nfs/dbraw/zinc/37/09/87/1118370987.db2.gz YTOGMTCUKPOTTK-UHFFFAOYSA-N 0 1 277.343 3.857 20 0 CHADMN COc1ccc(Br)cc1CN1[C@@H](C)CC[C@@H]1C ZINC000706443539 1118373449 /nfs/dbraw/zinc/37/34/49/1118373449.db2.gz NQSYEHMMLHXJEG-QWRGUYRKSA-N 0 1 298.224 3.831 20 0 CHADMN C=CC(C)=CCC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000684835284 1118375522 /nfs/dbraw/zinc/37/55/22/1118375522.db2.gz MPXIDNRXFXKDCD-POHAHGRESA-N 0 1 285.347 3.747 20 0 CHADMN CCOCCN(CC)Cc1c(C)cccc1Cl ZINC001167350734 1118375633 /nfs/dbraw/zinc/37/56/33/1118375633.db2.gz QCBFLVMMNDOVIL-UHFFFAOYSA-N 0 1 255.789 3.507 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)N(Cc3nnc(C4CC4)o3)C2)cc1 ZINC000683799530 1118376441 /nfs/dbraw/zinc/37/64/41/1118376441.db2.gz CGEULUQNUQREND-CZUORRHYSA-N 0 1 297.402 3.633 20 0 CHADMN Fc1ccc(CN2CCCC[C@H]2c2ccccc2)cn1 ZINC000779169504 1128773604 /nfs/dbraw/zinc/77/36/04/1128773604.db2.gz PPXHBBRCZWCSBX-INIZCTEOSA-N 0 1 270.351 3.948 20 0 CHADMN CC1(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000683827112 1118393682 /nfs/dbraw/zinc/39/36/82/1118393682.db2.gz KJTAUADXJRBEPT-IUCAKERBSA-N 0 1 289.263 3.849 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)CC12CCCCC2 ZINC000580202199 1118400625 /nfs/dbraw/zinc/40/06/25/1118400625.db2.gz WJQUZJRCXLPRKN-ZDUSSCGKSA-N 0 1 291.391 3.770 20 0 CHADMN Cc1nccnc1CN[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000621325632 1118415711 /nfs/dbraw/zinc/41/57/11/1118415711.db2.gz FAZVYHVTFDJJMW-AWEZNQCLSA-N 0 1 283.419 3.834 20 0 CHADMN CCc1nc(NC(=O)c2c(O)cccc2Cl)sc1C ZINC000049090500 1118425250 /nfs/dbraw/zinc/42/52/50/1118425250.db2.gz IUMAJLYZDBKYIE-UHFFFAOYSA-N 0 1 296.779 3.625 20 0 CHADMN CCO[C@H](C)c1nc(COc2cc(C)nc(C)c2)cs1 ZINC000152791186 1118430643 /nfs/dbraw/zinc/43/06/43/1118430643.db2.gz ZISVSKQSALHNAJ-GFCCVEGCSA-N 0 1 292.404 3.831 20 0 CHADMN Cc1ccc(CN2CC[C@@](F)(c3ccccc3)C2)c(C)n1 ZINC000580348549 1118431788 /nfs/dbraw/zinc/43/17/88/1118431788.db2.gz QKBQOVXHSKMQAB-SFHVURJKSA-N 0 1 284.378 3.769 20 0 CHADMN CCN(Cc1oc(C)nc1C)Cc1ccccc1C ZINC000683896928 1118431979 /nfs/dbraw/zinc/43/19/79/1118431979.db2.gz DOHAKOUHIUYANR-UHFFFAOYSA-N 0 1 258.365 3.622 20 0 CHADMN Cc1nc(C)c(CN2CC[C@@H](C)C[C@H]2c2ccco2)o1 ZINC000683897832 1118433234 /nfs/dbraw/zinc/43/32/34/1118433234.db2.gz GWPBEVJRUFJPCF-RISCZKNCSA-N 0 1 274.364 3.858 20 0 CHADMN C=C(Nc1cnc(C)c(C(C)=O)c1)c1ccccc1 ZINC001210985722 1118434352 /nfs/dbraw/zinc/43/43/52/1118434352.db2.gz UMSWLRGBLNPSOZ-UHFFFAOYSA-N 0 1 252.317 3.675 20 0 CHADMN CCCCC[C@H](NC)c1nc(-c2cccc(F)c2F)no1 ZINC001212279321 1128777890 /nfs/dbraw/zinc/77/78/90/1128777890.db2.gz OXHOCJAILSFQRZ-LBPRGKRZSA-N 0 1 295.333 3.856 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@H](c2ccncc2)C1 ZINC000580396561 1118444588 /nfs/dbraw/zinc/44/45/88/1118444588.db2.gz PHKVWLFBWPWANS-HIFRSBDPSA-N 0 1 299.418 3.918 20 0 CHADMN c1ccc2sc(CN3CC[C@@H](c4ccncc4)C3)nc2c1 ZINC000580396630 1118444807 /nfs/dbraw/zinc/44/48/07/1118444807.db2.gz VQFVZMRONPGNEW-CQSZACIVSA-N 0 1 295.411 3.681 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](CCCCCC(=O)[O-])C1 ZINC000565662670 1118458512 /nfs/dbraw/zinc/45/85/12/1118458512.db2.gz IPXRFSRVHNVUCM-OAHLLOKOSA-N 0 1 255.402 3.534 20 0 CHADMN Cc1ccc([C@@H]2COCCN2C[C@H]2CCC[C@@H](C)C2)o1 ZINC001167412632 1118467987 /nfs/dbraw/zinc/46/79/87/1118467987.db2.gz OXCRDXSSXYXYBH-KBMXLJTQSA-N 0 1 277.408 3.788 20 0 CHADMN Cc1ccc([C@@H]2COCCN2C[C@@H]2CCCC[C@@H]2C)o1 ZINC001167412570 1118468115 /nfs/dbraw/zinc/46/81/15/1118468115.db2.gz NRIBRLQJYPOXKF-BPUTZDHNSA-N 0 1 277.408 3.788 20 0 CHADMN CC(C)(C)CCC[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000261559068 1118468119 /nfs/dbraw/zinc/46/81/19/1118468119.db2.gz KLJIKHXDIXDIAR-RDBSUJKOSA-N 0 1 267.413 3.530 20 0 CHADMN O=C(c1ccc2cncn2c1)N1CCC[C@@H]1CC1CCCC1 ZINC000655364059 1118469485 /nfs/dbraw/zinc/46/94/85/1118469485.db2.gz YHFFYKAVTJPENP-MRXNPFEDSA-N 0 1 297.402 3.519 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1cc2ccccc2s1 ZINC001137686273 1118469908 /nfs/dbraw/zinc/46/99/08/1118469908.db2.gz FZFBVKVGRNBHRN-OAHLLOKOSA-N 0 1 273.401 3.845 20 0 CHADMN C[C@H]1CCN(Cc2ccc(Br)cc2)C[C@H]1C ZINC000253069484 1118470941 /nfs/dbraw/zinc/47/09/41/1118470941.db2.gz LQOVUYYBAPECSG-NWDGAFQWSA-N 0 1 282.225 3.927 20 0 CHADMN CCc1ccc([C@H](C)N[C@@H](CO)c2ccsc2)cc1 ZINC000471589023 1118473480 /nfs/dbraw/zinc/47/34/80/1118473480.db2.gz ZFQZLWSNQBZPQR-LRDDRELGSA-N 0 1 275.417 3.695 20 0 CHADMN CCOC(=O)c1cc(C(C)C)sc1Nc1cncn1C ZINC001211244821 1118485778 /nfs/dbraw/zinc/48/57/78/1118485778.db2.gz DYYQDNUWCGAHMP-UHFFFAOYSA-N 0 1 293.392 3.525 20 0 CHADMN Cc1oc2ccccc2c1CN1CC2(CC2(F)F)C1 ZINC000656265852 1118487015 /nfs/dbraw/zinc/48/70/15/1118487015.db2.gz LMSCAFAKNBSHIW-UHFFFAOYSA-N 0 1 263.287 3.582 20 0 CHADMN Cn1cncc1Nc1cccc(Cl)c1Br ZINC001211250239 1118487356 /nfs/dbraw/zinc/48/73/56/1118487356.db2.gz JVVJRHZATULUAS-UHFFFAOYSA-N 0 1 286.560 3.580 20 0 CHADMN Cn1cncc1-n1c(-c2ccccc2N)cc2ccccc21 ZINC001211251765 1118488190 /nfs/dbraw/zinc/48/81/90/1118488190.db2.gz OQJADKDQRJODJH-UHFFFAOYSA-N 0 1 288.354 3.613 20 0 CHADMN c1c2ccccc2[nH]c1CN1CCC[C@H]2CCC[C@H]21 ZINC000684020047 1118489185 /nfs/dbraw/zinc/48/91/85/1118489185.db2.gz FYFHSBLTMTWOKC-CXAGYDPISA-N 0 1 254.377 3.932 20 0 CHADMN COC[C@H](N[C@@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000089668698 1118490796 /nfs/dbraw/zinc/49/07/96/1118490796.db2.gz YKYPGIURIRLMFW-MSOLQXFVSA-N 0 1 285.362 3.790 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc(Cl)nc3Cl)c2c1 ZINC001211271716 1118494795 /nfs/dbraw/zinc/49/47/95/1118494795.db2.gz VYGSUZSTAAEJTF-UHFFFAOYSA-N 0 1 293.157 3.618 20 0 CHADMN C[C@H](N[C@@H]1CSC1(C)C)c1cc(F)ccc1F ZINC000338792222 1118494802 /nfs/dbraw/zinc/49/48/02/1118494802.db2.gz MJKBZVWJLZNIDM-QPUJVOFHSA-N 0 1 257.349 3.509 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000580720186 1118495279 /nfs/dbraw/zinc/49/52/79/1118495279.db2.gz HUGRRFDUVBCLMR-GHMZBOCLSA-N 0 1 295.345 3.540 20 0 CHADMN C[C@@H](F)CCNCc1c(F)ccc(Br)c1F ZINC000339489667 1118501450 /nfs/dbraw/zinc/50/14/50/1118501450.db2.gz DTQLNUIQZOHNMJ-SSDOTTSWSA-N 0 1 296.130 3.565 20 0 CHADMN CCOC(=O)c1ccc(F)c(-c2cc(F)c(O)cc2F)c1 ZINC001211340142 1118505753 /nfs/dbraw/zinc/50/57/53/1118505753.db2.gz SRLATVGLEMQICD-UHFFFAOYSA-N 0 1 296.244 3.653 20 0 CHADMN C[N@@H+](Cc1ccc(F)cn1)[C@H]1CCCc2ccccc21 ZINC000580808282 1118506384 /nfs/dbraw/zinc/50/63/84/1118506384.db2.gz HKPQJBJOELZHLM-KRWDZBQOSA-N 0 1 270.351 3.730 20 0 CHADMN Cc1ncccc1CNCc1ccccc1C(F)(F)F ZINC000380280649 1118513603 /nfs/dbraw/zinc/51/36/03/1118513603.db2.gz BUFOMATWMIHDKA-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3ccc(F)c(Br)c3)C[C@@H]21 ZINC000380290476 1118516680 /nfs/dbraw/zinc/51/66/80/1118516680.db2.gz BUQZSWUEKHCWEL-PHIMTYICSA-N 0 1 298.199 3.676 20 0 CHADMN CC1(C)Cc2occc2[C@H](N[C@H](CO)c2ccsc2)C1 ZINC000349356579 1118520397 /nfs/dbraw/zinc/52/03/97/1118520397.db2.gz QSOTZEHRWRAJRV-ZIAGYGMSSA-N 0 1 291.416 3.678 20 0 CHADMN C[C@H]1C[C@@H]1CC(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000580923997 1118523358 /nfs/dbraw/zinc/52/33/58/1118523358.db2.gz QAKKDTZFGZYEOM-JGVFFNPUSA-N 0 1 297.280 3.566 20 0 CHADMN Cc1ccc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1F ZINC000580994271 1118532773 /nfs/dbraw/zinc/53/27/73/1118532773.db2.gz KONGLQKPICJATQ-JKSUJKDBSA-N 0 1 277.383 3.524 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H]1CCC[C@H]1F)CCCO2 ZINC000581019048 1118534800 /nfs/dbraw/zinc/53/48/00/1118534800.db2.gz BBXIRHGNPGSUCH-ILXRZTDVSA-N 0 1 263.356 3.689 20 0 CHADMN Cc1cc(OCc2noc(C3CCCCC3)n2)cc(C)n1 ZINC000128175217 1118538496 /nfs/dbraw/zinc/53/84/96/1118538496.db2.gz KMWDGKGOZKNACM-UHFFFAOYSA-N 0 1 287.363 3.708 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2ccc3c(n2)CCC3)cc1 ZINC000656408662 1118542284 /nfs/dbraw/zinc/54/22/84/1118542284.db2.gz CPJRUEGYJXDPPC-CQSZACIVSA-N 0 1 296.414 3.772 20 0 CHADMN CC[C@@H](Cc1nc([C@H]2CCCN2)no1)c1ccc(C)cc1 ZINC000647149764 1118555153 /nfs/dbraw/zinc/55/51/53/1118555153.db2.gz RDVVYCOMDZWUQA-DZGCQCFKSA-N 0 1 285.391 3.539 20 0 CHADMN Clc1ccccc1CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000352440986 1118562876 /nfs/dbraw/zinc/56/28/76/1118562876.db2.gz RDNZLSKJVRARJO-JKSUJKDBSA-N 0 1 291.822 3.874 20 0 CHADMN Cc1cccc2nc(-c3ccc(O[C@@H]4CCOC4)cc3)[nH]c21 ZINC000656485036 1118563694 /nfs/dbraw/zinc/56/36/94/1118563694.db2.gz JCKQLHOAQKINBV-OAHLLOKOSA-N 0 1 294.354 3.706 20 0 CHADMN CC(C)(C)c1ccc(/C=C\c2nc([C@@H]3CCCN3)no2)cc1 ZINC000647153995 1118563767 /nfs/dbraw/zinc/56/37/67/1118563767.db2.gz QLQYOZMBVZGLAP-QIENPNARSA-N 0 1 297.402 3.962 20 0 CHADMN Cc1cc2[nH]c(Cc3ccc4c(c3)CCC4)nc(=O)c2s1 ZINC000656492074 1118565246 /nfs/dbraw/zinc/56/52/46/1118565246.db2.gz VBXIPWMIILCQID-UHFFFAOYSA-N 0 1 296.395 3.785 20 0 CHADMN Cc1cc2[nH]c([C@H]3CCCC(F)(F)C3)nc(=O)c2s1 ZINC000656492212 1118565346 /nfs/dbraw/zinc/56/53/46/1118565346.db2.gz ZCXIWDPCUUBMSG-QMMMGPOBSA-N 0 1 284.331 3.998 20 0 CHADMN Cn1cc(Cl)c(CNCCC(C)(C)c2ccccc2)n1 ZINC001648911469 1118569737 /nfs/dbraw/zinc/56/97/37/1118569737.db2.gz SHBJTLBSPIMJSD-UHFFFAOYSA-N 0 1 291.826 3.531 20 0 CHADMN COc1cncc(CNCc2ccc(C(F)F)cc2)c1C ZINC000631112168 1118575844 /nfs/dbraw/zinc/57/58/44/1118575844.db2.gz DRZVAKZKIFYRRG-UHFFFAOYSA-N 0 1 292.329 3.626 20 0 CHADMN CCCc1cc(Nc2ccc(C)c3[nH]ncc32)on1 ZINC001215754200 1118576835 /nfs/dbraw/zinc/57/68/35/1118576835.db2.gz OBARLFDIWZYRLE-UHFFFAOYSA-N 0 1 256.309 3.555 20 0 CHADMN C[C@H]1CCN(Cc2sc(NC(C)(C)C)nc2Cl)C1 ZINC001140391096 1118582684 /nfs/dbraw/zinc/58/26/84/1118582684.db2.gz FZVRHEUCFYCZTE-VIFPVBQESA-N 0 1 287.860 3.849 20 0 CHADMN CC[C@@H](C)CN(C)CC(=O)c1cc(C)n(C2CC2)c1C ZINC000341034043 1118591659 /nfs/dbraw/zinc/59/16/59/1118591659.db2.gz YTGQSLNWHKJIBL-GFCCVEGCSA-N 0 1 276.424 3.600 20 0 CHADMN Cc1ccccc1[C@H](C)NCc1nc2cccnc2s1 ZINC000341048042 1118593842 /nfs/dbraw/zinc/59/38/42/1118593842.db2.gz CBEDCQVQAFSNNU-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN C[C@H](NCc1cnc[nH]1)c1cc(Cl)cc(Cl)c1F ZINC000692315060 1118596010 /nfs/dbraw/zinc/59/60/10/1118596010.db2.gz QPELTRROAUPHLU-ZETCQYMHSA-N 0 1 288.153 3.706 20 0 CHADMN CCC1(c2nc(C3(N)CCCC3)no2)CCC(F)(F)CC1 ZINC000656561730 1118597232 /nfs/dbraw/zinc/59/72/32/1118597232.db2.gz VWQKIXBVMSPWFC-UHFFFAOYSA-N 0 1 299.365 3.655 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@H]1c1ccc[nH]1 ZINC000891404070 1118599046 /nfs/dbraw/zinc/59/90/46/1118599046.db2.gz CUTCMZIHQNQNQV-KRWDZBQOSA-N 0 1 286.423 3.746 20 0 CHADMN Cn1cncc1Nc1cc(Cl)cc(C(F)(F)F)c1F ZINC001215813898 1118599195 /nfs/dbraw/zinc/59/91/95/1118599195.db2.gz JGLGONWENZKMRG-UHFFFAOYSA-N 0 1 293.651 3.975 20 0 CHADMN Clc1cnc2oc(CN3CC4(C3)CCCC4)cc2c1 ZINC000656623015 1118611773 /nfs/dbraw/zinc/61/17/73/1118611773.db2.gz NZWOYHJHCGXSRA-UHFFFAOYSA-N 0 1 276.767 3.857 20 0 CHADMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2F)C1(C)C ZINC001167468314 1118612554 /nfs/dbraw/zinc/61/25/54/1118612554.db2.gz QOIYWGYEKMVBEI-LSDHHAIUSA-N 0 1 283.362 3.600 20 0 CHADMN CCO[C@@H]1C[C@H](N(C)Cc2ccc(F)cc2F)C1(C)C ZINC001167468314 1118612555 /nfs/dbraw/zinc/61/25/55/1118612555.db2.gz QOIYWGYEKMVBEI-LSDHHAIUSA-N 0 1 283.362 3.600 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000073779247 1118616891 /nfs/dbraw/zinc/61/68/91/1118616891.db2.gz WMNHOKHIMANJJP-JTQLQIEISA-N 0 1 291.782 3.620 20 0 CHADMN Cc1cccc(CC2CN(Cc3cnn(C(C)(C)C)c3)C2)c1 ZINC000656648169 1118618662 /nfs/dbraw/zinc/61/86/62/1118618662.db2.gz GYVYXAOAQLTCDK-UHFFFAOYSA-N 0 1 297.446 3.621 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2ccccc2)o1 ZINC000656647797 1118618913 /nfs/dbraw/zinc/61/89/13/1118618913.db2.gz KEWSXEBGQZIERF-GASCZTMLSA-N 0 1 281.355 3.643 20 0 CHADMN C[C@@H](NCCCC1CCC1)c1nc(Cc2ccccc2)no1 ZINC000656689332 1118637465 /nfs/dbraw/zinc/63/74/65/1118637465.db2.gz REZWBNKDBHLSQJ-CQSZACIVSA-N 0 1 299.418 3.891 20 0 CHADMN C[C@@H](NCc1c(C2CCC2)cnn1C)c1cccc(F)c1 ZINC000656687957 1118638319 /nfs/dbraw/zinc/63/83/19/1118638319.db2.gz GTPXEMIHGAEGGI-GFCCVEGCSA-N 0 1 287.382 3.678 20 0 CHADMN FC1CC2(C1)CN(Cc1ccc(-c3ccccc3)o1)C2 ZINC000656694272 1118638511 /nfs/dbraw/zinc/63/85/11/1118638511.db2.gz OBWIDQROGPAAHT-UHFFFAOYSA-N 0 1 271.335 3.881 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656761817 1118651188 /nfs/dbraw/zinc/65/11/88/1118651188.db2.gz UQLIDWLZFLGWLC-OCCSQVGLSA-N 0 1 291.391 3.941 20 0 CHADMN CCC1(CC)CCC[N@@H+](CCCCCC(=O)[O-])C1 ZINC000656762184 1118651230 /nfs/dbraw/zinc/65/12/30/1118651230.db2.gz AFFMQRFLFFVVMD-UHFFFAOYSA-N 0 1 255.402 3.534 20 0 CHADMN Cc1oncc1CN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000129755217 1118653910 /nfs/dbraw/zinc/65/39/10/1118653910.db2.gz NJIUBERUCSUZIP-LBPRGKRZSA-N 0 1 274.364 3.621 20 0 CHADMN CCc1ccc(C)nc1NCc1sccc1OC ZINC000656778142 1118655736 /nfs/dbraw/zinc/65/57/36/1118655736.db2.gz PAGVQNVFTURXFR-UHFFFAOYSA-N 0 1 262.378 3.635 20 0 CHADMN Cc1ccnc(NCc2cnn(C(C)C)c2)c1C1CC1 ZINC000656778800 1118656089 /nfs/dbraw/zinc/65/60/89/1118656089.db2.gz BDYPMSAQHKYEOS-UHFFFAOYSA-N 0 1 270.380 3.657 20 0 CHADMN Cc1cnc(CN[C@H]2c3ccccc3CCC2(C)C)n1C ZINC000341293223 1118660040 /nfs/dbraw/zinc/66/00/40/1118660040.db2.gz VEJKYSMWGDGKQA-KRWDZBQOSA-N 0 1 283.419 3.532 20 0 CHADMN C[C@@H](NCc1cocn1)[C@@H](C)c1ccc(Cl)cc1 ZINC000684380320 1118668756 /nfs/dbraw/zinc/66/87/56/1118668756.db2.gz WJWMZIQVJWNLRB-GHMZBOCLSA-N 0 1 264.756 3.610 20 0 CHADMN CCN(C/C=C\Cl)[C@@H](C)c1cccc(OC)c1 ZINC000255363576 1118672907 /nfs/dbraw/zinc/67/29/07/1118672907.db2.gz YWNQXQRXJXKDQV-PWWFUAJNSA-N 0 1 253.773 3.831 20 0 CHADMN Cc1cc(Cl)cc(CNCc2ccccc2[N+](=O)[O-])c1 ZINC000395124027 1118673243 /nfs/dbraw/zinc/67/32/43/1118673243.db2.gz AWSWZZAYNOBLNA-UHFFFAOYSA-N 0 1 290.750 3.846 20 0 CHADMN FC(F)c1ccc(CNCc2ccc(Cl)cn2)cc1 ZINC000684389560 1118674498 /nfs/dbraw/zinc/67/44/98/1118674498.db2.gz RYTIWLJEZCROLA-UHFFFAOYSA-N 0 1 282.721 3.962 20 0 CHADMN Cc1ccc([C@H](C)NCc2cc(C)cc(C)n2)cc1 ZINC000723629954 1118675143 /nfs/dbraw/zinc/67/51/43/1118675143.db2.gz ZDOVJDCIMVXUAB-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN CC(C)[C@@H]1CCC[C@H](Nc2cnn(-c3ccncc3)c2)C1 ZINC000684390201 1118675318 /nfs/dbraw/zinc/67/53/18/1118675318.db2.gz AAZYJXDWZDTHLE-CABCVRRESA-N 0 1 284.407 3.894 20 0 CHADMN CCCc1ccc(CN2CC3(C2)CC(F)(F)C3)s1 ZINC001138523750 1128793634 /nfs/dbraw/zinc/79/36/34/1128793634.db2.gz ODFMZFIAYGKSOE-UHFFFAOYSA-N 0 1 271.376 3.932 20 0 CHADMN COc1ccc(C[C@@H](C)CNC(C)(C)C(F)F)cc1F ZINC000684414326 1118687639 /nfs/dbraw/zinc/68/76/39/1118687639.db2.gz ZFZWSMHCUMNOJJ-SNVBAGLBSA-N 0 1 289.341 3.646 20 0 CHADMN CCn1cc(C[N@H+]2CCC[C@@H]2c2cccs2)c(C)n1 ZINC000891498568 1118696471 /nfs/dbraw/zinc/69/64/71/1118696471.db2.gz JGGWFBAKPOVONF-CQSZACIVSA-N 0 1 275.421 3.610 20 0 CHADMN C[C@H](c1ccccc1)N(C)Cc1cnn(C2CCC2)c1 ZINC000891502849 1118696653 /nfs/dbraw/zinc/69/66/53/1118696653.db2.gz BBAAGGKLPSVEKZ-CQSZACIVSA-N 0 1 269.392 3.801 20 0 CHADMN Cc1cc(C)cc(C(=O)Nc2nc(-c3cccs3)n[nH]2)c1 ZINC000077043862 1128794707 /nfs/dbraw/zinc/79/47/07/1128794707.db2.gz KKAVDQHEQWIPNT-UHFFFAOYSA-N 0 1 298.371 3.786 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccc(F)cc2)cnc1F ZINC000891537887 1118705196 /nfs/dbraw/zinc/70/51/96/1118705196.db2.gz ZELGLQRNBREHFM-LBPRGKRZSA-N 0 1 276.330 3.861 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc([C@@H]2CCCCS2)no1 ZINC000386381282 1118705470 /nfs/dbraw/zinc/70/54/70/1118705470.db2.gz ACYQYACBCXSMJZ-QWRGUYRKSA-N 0 1 283.441 3.725 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc([C@H]2CCCCS2)no1 ZINC000386381285 1118705736 /nfs/dbraw/zinc/70/57/36/1118705736.db2.gz ACYQYACBCXSMJZ-WDEREUQCSA-N 0 1 283.441 3.725 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccc(Cl)n2)cc1C ZINC000933491268 1118706274 /nfs/dbraw/zinc/70/62/74/1118706274.db2.gz LIERDBKKOGOBRX-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN Cn1cc(CN2CCC[C@H]2c2ccc(F)cc2)c(C2CC2)n1 ZINC000891548939 1118707862 /nfs/dbraw/zinc/70/78/62/1118707862.db2.gz DXNVMEGUMBDWJW-KRWDZBQOSA-N 0 1 299.393 3.774 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cnc(F)cc2C)cc1 ZINC000891564475 1118710889 /nfs/dbraw/zinc/71/08/89/1118710889.db2.gz BOEMTDPGSHPUKP-ZDUSSCGKSA-N 0 1 288.366 3.731 20 0 CHADMN Cn1ncc(CN2CCC[C@@H]2c2cccc(F)c2)c1C1CC1 ZINC000891617803 1118721905 /nfs/dbraw/zinc/72/19/05/1118721905.db2.gz JRKYVWLOTBBUHC-QGZVFWFLSA-N 0 1 299.393 3.774 20 0 CHADMN CCN(Cc1cn(C)nc1C1CC1)Cc1ccccc1C ZINC000891619498 1118722268 /nfs/dbraw/zinc/72/22/68/1118722268.db2.gz DXTGBNZSYTUKAA-UHFFFAOYSA-N 0 1 283.419 3.628 20 0 CHADMN Cc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000021919484 1118738783 /nfs/dbraw/zinc/73/87/83/1118738783.db2.gz XXPXUWQJUQQVEZ-MRXNPFEDSA-N 0 1 296.414 3.762 20 0 CHADMN CCN(Cc1cn(CC)nc1C)[C@@H](C)c1cccc(O)c1 ZINC000891713386 1118750185 /nfs/dbraw/zinc/75/01/85/1118750185.db2.gz BSQWMUDKJXVJBQ-AWEZNQCLSA-N 0 1 287.407 3.500 20 0 CHADMN CC(C)(NCc1nc2cccnc2s1)c1ccccc1 ZINC000341617393 1118759140 /nfs/dbraw/zinc/75/91/40/1118759140.db2.gz NHNDGEXFGRUUFF-UHFFFAOYSA-N 0 1 283.400 3.716 20 0 CHADMN C1=C[C@@H]([N@@H+]2CCSC3(CCCCC3)C2)CCC1 ZINC000430757664 1118767768 /nfs/dbraw/zinc/76/77/68/1118767768.db2.gz GURZJSSEIOCAHF-CQSZACIVSA-N 0 1 251.439 3.847 20 0 CHADMN FC1CC2(C1)CN(Cc1ccc(C(F)(F)F)cc1)C2 ZINC000677132525 1118774533 /nfs/dbraw/zinc/77/45/33/1118774533.db2.gz CGLLKOVRHBOAPC-UHFFFAOYSA-N 0 1 273.273 3.639 20 0 CHADMN CCOc1ccc(CN2CCC[C@H]2c2ccc(O)cc2)o1 ZINC000891796363 1118777610 /nfs/dbraw/zinc/77/76/10/1118777610.db2.gz MRPRDWVKIKGBCZ-INIZCTEOSA-N 0 1 287.359 3.721 20 0 CHADMN CCC[C@@H](C)C[N@H+]1CCCC[C@@H]1c1nccn1CC ZINC000430869498 1118779521 /nfs/dbraw/zinc/77/95/21/1118779521.db2.gz XZFGXSZGIZPGDD-HUUCEWRRSA-N 0 1 263.429 3.866 20 0 CHADMN C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCO[C@H]3CCC[C@H]32)C1 ZINC000430873038 1118780839 /nfs/dbraw/zinc/78/08/39/1118780839.db2.gz OLAIMGPVOLSUDI-RDGPPVDQSA-N 0 1 285.431 3.750 20 0 CHADMN C[C@]1(c2ccccc2)CC[C@H](N2CCO[C@H]3CCC[C@H]32)C1 ZINC000430873038 1118780841 /nfs/dbraw/zinc/78/08/41/1118780841.db2.gz OLAIMGPVOLSUDI-RDGPPVDQSA-N 0 1 285.431 3.750 20 0 CHADMN CCn1ccnc1[C@@H]1CCCC[N@H+]1C[C@H]1CC=CCC1 ZINC000430870608 1118780876 /nfs/dbraw/zinc/78/08/76/1118780876.db2.gz VFWIZTWZDIQDBY-HOTGVXAUSA-N 0 1 273.424 3.786 20 0 CHADMN CCOC1CC(C[N@H+]2CC[C@@](F)(c3ccccc3C)C2)C1 ZINC000510643387 1118781019 /nfs/dbraw/zinc/78/10/19/1118781019.db2.gz GFPOXTPGGXKOOT-HTWSVDAQSA-N 0 1 291.410 3.681 20 0 CHADMN Cc1nc2cc(Nc3cccnc3N3CCCC3)ccc2[nH]1 ZINC001213070156 1128800094 /nfs/dbraw/zinc/80/00/94/1128800094.db2.gz AQQBVJLODCYOOX-UHFFFAOYSA-N 0 1 293.374 3.610 20 0 CHADMN c1c2ccccc2sc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000510657110 1118783981 /nfs/dbraw/zinc/78/39/81/1118783981.db2.gz JJKUQBHLXUQNQX-LSDHHAIUSA-N 0 1 273.401 3.655 20 0 CHADMN CCC(=O)CCN(CC)Cc1ccc(Cl)s1 ZINC000190166737 1128801185 /nfs/dbraw/zinc/80/11/85/1128801185.db2.gz OCGFQSIIYJBBDP-UHFFFAOYSA-N 0 1 259.802 3.593 20 0 CHADMN C[C@H]([N@@H+](C)Cc1cccc(Cl)c1[O-])C1(C)CC1 ZINC000180702514 1128802416 /nfs/dbraw/zinc/80/24/16/1128802416.db2.gz LJIBVOMNYKHCHG-JTQLQIEISA-N 0 1 253.773 3.666 20 0 CHADMN COc1cccc(CNCc2ccc(C3CCC3)cc2)n1 ZINC000276905538 1118838640 /nfs/dbraw/zinc/83/86/40/1118838640.db2.gz INKYDPJQNYSGLT-UHFFFAOYSA-N 0 1 282.387 3.648 20 0 CHADMN c1nc(C2CC2)c(CN2CCC=C(c3ccncc3)C2)s1 ZINC000348835736 1118839288 /nfs/dbraw/zinc/83/92/88/1118839288.db2.gz BJLZZYNCOZKHFM-UHFFFAOYSA-N 0 1 297.427 3.705 20 0 CHADMN CC[C@H](C)N(CC)C(=O)c1cccc(C(F)(F)F)c1O ZINC000616974726 1128804061 /nfs/dbraw/zinc/80/40/61/1128804061.db2.gz RJSNPJZFWDZSDC-VIFPVBQESA-N 0 1 289.297 3.672 20 0 CHADMN C[C@H](NCC[C@H]1C[C@@H](C)CC(C)(C)C1)c1cc(CO)on1 ZINC000926292295 1118848475 /nfs/dbraw/zinc/84/84/75/1118848475.db2.gz YWFDBLIQNCIPRF-RDBSUJKOSA-N 0 1 294.439 3.670 20 0 CHADMN Fc1cc(F)cc(CN2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000092757609 1118850933 /nfs/dbraw/zinc/85/09/33/1118850933.db2.gz SGSPALJNNXUFIQ-QGZVFWFLSA-N 0 1 288.341 3.651 20 0 CHADMN Cc1cccc(NC(=O)[C@H](C)N(C)Cc2ccccc2C)c1 ZINC000016374514 1118852278 /nfs/dbraw/zinc/85/22/78/1118852278.db2.gz DTCAXALCSMQQOY-INIZCTEOSA-N 0 1 296.414 3.762 20 0 CHADMN Fc1ccccc1[C@@H]1CN(C[C@H]2CC=CCC2)CCO1 ZINC000092975084 1118854309 /nfs/dbraw/zinc/85/43/09/1118854309.db2.gz LIFFICOOOXHIHJ-YOEHRIQHSA-N 0 1 275.367 3.555 20 0 CHADMN Cc1nc(C2(NC[C@H]3CCC[C@@H](C)C3)CCCC2)no1 ZINC000092564628 1118856243 /nfs/dbraw/zinc/85/62/43/1118856243.db2.gz UMADXEBDPKVHNF-OCCSQVGLSA-N 0 1 277.412 3.563 20 0 CHADMN Cc1nc2ccc(Nc3ncnc4sccc43)cc2[nH]1 ZINC001213070149 1128800452 /nfs/dbraw/zinc/80/04/52/1128800452.db2.gz AGBPYNLCGKXLAU-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN c1nc(C2CC2)c(CN2CCC[C@H]2c2ccncc2)s1 ZINC000348919773 1118873241 /nfs/dbraw/zinc/87/32/41/1118873241.db2.gz HGFNAVYTPYYDBC-AWEZNQCLSA-N 0 1 285.416 3.753 20 0 CHADMN C[C@@H]1CCCC[C@@H]1CN1CC(C)(C)[C@@H]1c1nccn1C ZINC000449413793 1118875281 /nfs/dbraw/zinc/87/52/81/1118875281.db2.gz KFVCIPLPSCMMAM-KFWWJZLASA-N 0 1 275.440 3.629 20 0 CHADMN CC1(C)CCN(c2cc[nH+]c3c([O-])cccc23)CCS1 ZINC000684589927 1118879248 /nfs/dbraw/zinc/87/92/48/1118879248.db2.gz OUVHEYBQCOUFEE-UHFFFAOYSA-N 0 1 288.416 3.662 20 0 CHADMN C[C@@H]1CC2(CCC2)CN1c1cc[nH+]c2c([O-])cccc12 ZINC000684591410 1118880268 /nfs/dbraw/zinc/88/02/68/1118880268.db2.gz YJKIPOBJLNGPFF-GFCCVEGCSA-N 0 1 268.360 3.709 20 0 CHADMN CC(C)OC1CCN(Cc2cnc(C(C)C)s2)CC1 ZINC000535796734 1118887228 /nfs/dbraw/zinc/88/72/28/1118887228.db2.gz DZJXGWNUSSEWOH-UHFFFAOYSA-N 0 1 282.453 3.656 20 0 CHADMN CN(Cc1cnc(C2CC2)nc1)[C@@H]1CCCc2ccccc21 ZINC000563090550 1118891506 /nfs/dbraw/zinc/89/15/06/1118891506.db2.gz VJNOKCAGAFJEQQ-GOSISDBHSA-N 0 1 293.414 3.863 20 0 CHADMN C[C@@H](N[C@@H](CCO)C1CCCC1)c1ncc(C(C)(C)C)o1 ZINC000934012846 1118892014 /nfs/dbraw/zinc/89/20/14/1118892014.db2.gz YAJGPKZHCVEZPC-OCCSQVGLSA-N 0 1 294.439 3.564 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc3c(n2)CCC3)c1 ZINC000563091318 1118892441 /nfs/dbraw/zinc/89/24/41/1118892441.db2.gz QHRYLFZMIDEQRE-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN CCCCCC[C@](C)(CCC)C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000176202230 1118894421 /nfs/dbraw/zinc/89/44/21/1118894421.db2.gz AWHCMQJVFBIYJO-BBRMVZONSA-N 0 1 294.443 3.759 20 0 CHADMN Cc1cccc(CCCN2CCO[C@H](c3ccco3)C2)c1 ZINC000181143418 1118907912 /nfs/dbraw/zinc/90/79/12/1118907912.db2.gz KFNPWCHLJUJNJC-SFHVURJKSA-N 0 1 285.387 3.594 20 0 CHADMN CC(C)CCC[C@@H](C)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000338065653 1118909036 /nfs/dbraw/zinc/90/90/36/1118909036.db2.gz LTAZJPNEFZRSHA-LLVKDONJSA-N 0 1 291.370 3.647 20 0 CHADMN [O-]c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1Cl ZINC000403605491 1118910590 /nfs/dbraw/zinc/91/05/90/1118910590.db2.gz SSHNBWPPNIIPFN-YOGCLGLASA-N 0 1 283.824 3.562 20 0 CHADMN Cc1cc2c(cc1C)[C@H](NCc1cccnc1)CCCO2 ZINC000151091952 1118921284 /nfs/dbraw/zinc/92/12/84/1118921284.db2.gz HKTBMSBGPFDIQS-QGZVFWFLSA-N 0 1 282.387 3.702 20 0 CHADMN CCc1ccc(CNCc2cc(OC)ccc2OC)cc1 ZINC000220474724 1118921705 /nfs/dbraw/zinc/92/17/05/1118921705.db2.gz XGPDDWCOVIOERY-UHFFFAOYSA-N 0 1 285.387 3.556 20 0 CHADMN O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000535907204 1118923685 /nfs/dbraw/zinc/92/36/85/1118923685.db2.gz PMBZWRMDGXMBME-YNEHKIRRSA-N 0 1 298.390 3.503 20 0 CHADMN CC(=O)[C@@H](C)CCSc1nc2ccc(C)cc2[nH]1 ZINC000657227818 1118925980 /nfs/dbraw/zinc/92/59/80/1118925980.db2.gz JPCDYDYEXWSKHU-JTQLQIEISA-N 0 1 262.378 3.579 20 0 CHADMN c1ccc2c(c1)CC[C@H]2CCSc1nc(C2CC2)n[nH]1 ZINC000657242751 1118932429 /nfs/dbraw/zinc/93/24/29/1118932429.db2.gz KHWTVOIPJSTTHW-LBPRGKRZSA-N 0 1 285.416 3.894 20 0 CHADMN c1ccc2c(c1)CC[C@H]2CCSc1n[nH]c(C2CC2)n1 ZINC000657242751 1118932432 /nfs/dbraw/zinc/93/24/32/1118932432.db2.gz KHWTVOIPJSTTHW-LBPRGKRZSA-N 0 1 285.416 3.894 20 0 CHADMN CC[C@@H](CSc1nc(-c2ccccn2)n[nH]1)CC(F)F ZINC000657249974 1118934537 /nfs/dbraw/zinc/93/45/37/1118934537.db2.gz TUOLVCRJCUDNPA-SECBINFHSA-N 0 1 298.362 3.640 20 0 CHADMN CCc1nc([C@@H](C)Sc2ncc(C(C)(C)C)o2)n[nH]1 ZINC000657252510 1118936672 /nfs/dbraw/zinc/93/66/72/1118936672.db2.gz NMUPXPAHMPAOGK-MRVPVSSYSA-N 0 1 280.397 3.506 20 0 CHADMN CCc1c2ccccc2oc1[C@@H](C)NCc1cnn(C)c1 ZINC000041158733 1118936853 /nfs/dbraw/zinc/93/68/53/1118936853.db2.gz NVWVACLZXDBKGF-GFCCVEGCSA-N 0 1 283.375 3.580 20 0 CHADMN CC(C)(C)c1coc(CN2CC[C@H](c3ccco3)C2)n1 ZINC000892019267 1118938287 /nfs/dbraw/zinc/93/82/87/1118938287.db2.gz JKIKLWICOOBURZ-LBPRGKRZSA-N 0 1 274.364 3.555 20 0 CHADMN CSc1cccc(Cn2c(C)nc3c2CCCC3)c1 ZINC000657261662 1118942037 /nfs/dbraw/zinc/94/20/37/1118942037.db2.gz WMHXUAHHGDCZDU-UHFFFAOYSA-N 0 1 272.417 3.841 20 0 CHADMN Cc1cccc(C)c1CCNCc1ncc(Cl)s1 ZINC000472071736 1118958594 /nfs/dbraw/zinc/95/85/94/1118958594.db2.gz BGASDDQCYMDKOH-UHFFFAOYSA-N 0 1 280.824 3.746 20 0 CHADMN Cc1c[nH]c(CN[C@H](CC(C)C)c2ccccc2)n1 ZINC000657290436 1118962573 /nfs/dbraw/zinc/96/25/73/1118962573.db2.gz QANONHYHYVESDC-OAHLLOKOSA-N 0 1 257.381 3.595 20 0 CHADMN CSCc1ccc(CN(C)Cc2cccc(C)n2)cc1 ZINC000892105189 1118967416 /nfs/dbraw/zinc/96/74/16/1118967416.db2.gz XDLPZCDRXUWAEY-UHFFFAOYSA-N 0 1 286.444 3.885 20 0 CHADMN CCCCC1(N[C@@H](C)c2ncc(Br)cn2)CC1 ZINC000934203788 1118967866 /nfs/dbraw/zinc/96/78/66/1118967866.db2.gz UNDDCNCBZIGQRS-JTQLQIEISA-N 0 1 298.228 3.613 20 0 CHADMN Cc1cc([C@H](C)NCc2ccnn2CC2CC2)c(C)s1 ZINC000657300879 1118970921 /nfs/dbraw/zinc/97/09/21/1118970921.db2.gz VVULWOZCCOXASA-LBPRGKRZSA-N 0 1 289.448 3.822 20 0 CHADMN CC[C@@H](C)Oc1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1 ZINC000236923491 1118973808 /nfs/dbraw/zinc/97/38/08/1118973808.db2.gz GXQDYTFZYAOIGD-DYVFJYSZSA-N 0 1 298.386 3.502 20 0 CHADMN C[C@@H]1CCN(Cc2cnn(C)c2C2CC2)[C@H](c2ccco2)C1 ZINC000892152795 1118989110 /nfs/dbraw/zinc/98/91/10/1118989110.db2.gz IVQOHAHYAXFVEP-CJNGLKHVSA-N 0 1 299.418 3.864 20 0 CHADMN Cc1c2ccccc2oc1[C@H](C)NCc1cnn2c1CCC2 ZINC000657315368 1118992390 /nfs/dbraw/zinc/99/23/90/1118992390.db2.gz RPHVGMQSSCTXTC-ZDUSSCGKSA-N 0 1 295.386 3.735 20 0 CHADMN CC1(F)CCN(Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000640072213 1118997159 /nfs/dbraw/zinc/99/71/59/1118997159.db2.gz WVNAVGKZVIIXNU-UHFFFAOYSA-N 0 1 292.329 3.805 20 0 CHADMN Cc1ccccc1OCC[N@H+](C)Cc1ccc(Cl)cn1 ZINC000582080992 1119002962 /nfs/dbraw/zinc/00/29/62/1119002962.db2.gz WFFYLCMXNPGYEE-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN Cc1ccccc1OCCN(C)Cc1ccc(Cl)cn1 ZINC000582080992 1119002967 /nfs/dbraw/zinc/00/29/67/1119002967.db2.gz WFFYLCMXNPGYEE-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(Cn3ccnc3)cc2)o1 ZINC000152124580 1119004523 /nfs/dbraw/zinc/00/45/23/1119004523.db2.gz ZBXGIWFXJKDHMU-OAHLLOKOSA-N 0 1 295.386 3.684 20 0 CHADMN COC(=O)c1ccc(Cl)c(CN2CCC3(CC3)CC2)c1 ZINC000611575496 1119004877 /nfs/dbraw/zinc/00/48/77/1119004877.db2.gz QFGFTVWPZSKOGK-UHFFFAOYSA-N 0 1 293.794 3.503 20 0 CHADMN CC[C@H]1C[C@H](NCc2c(Cl)cccc2Cl)CO1 ZINC000657337509 1119010471 /nfs/dbraw/zinc/01/04/71/1119010471.db2.gz XWKVFUFGTJHDNM-UWVGGRQHSA-N 0 1 274.191 3.651 20 0 CHADMN CCOc1ccc(CNCc2cc(F)ccc2F)c(C)c1 ZINC000657349866 1119018909 /nfs/dbraw/zinc/01/89/09/1119018909.db2.gz OWETXEWXSTVEDO-UHFFFAOYSA-N 0 1 291.341 3.962 20 0 CHADMN COc1ccc(CN2CC[C@@H](CC(F)(F)F)C2)c(F)c1 ZINC000563257071 1119019572 /nfs/dbraw/zinc/01/95/72/1119019572.db2.gz HBWMHNIZYQEGPB-JTQLQIEISA-N 0 1 291.288 3.609 20 0 CHADMN COC[C@@H](NCc1cccnc1C)c1cccc(Cl)c1 ZINC000342427093 1119020190 /nfs/dbraw/zinc/02/01/90/1119020190.db2.gz HVQWJDAQUCQVKO-MRXNPFEDSA-N 0 1 290.794 3.521 20 0 CHADMN CCCC[C@@H](NCc1nc(C)c[nH]1)c1ccc(OC)cc1 ZINC000657353395 1119022926 /nfs/dbraw/zinc/02/29/26/1119022926.db2.gz MAWVVGVHQDXIGA-MRXNPFEDSA-N 0 1 287.407 3.748 20 0 CHADMN CCc1cccc2cc(CN[C@H](CO)c3ccccc3)oc21 ZINC000657364645 1119032078 /nfs/dbraw/zinc/03/20/78/1119032078.db2.gz XZQZBCXLBPKETD-GOSISDBHSA-N 0 1 295.382 3.818 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1cc2c(cccc2C)[nH]1 ZINC000657365756 1119032087 /nfs/dbraw/zinc/03/20/87/1119032087.db2.gz GJIFDXIXLXJOLO-NSHDSACASA-N 0 1 283.375 3.932 20 0 CHADMN CN(CCC(C)(C)C)Cc1nc(-c2cccs2)no1 ZINC000511090678 1119032479 /nfs/dbraw/zinc/03/24/79/1119032479.db2.gz NGRJPPLWRFDEKH-UHFFFAOYSA-N 0 1 279.409 3.666 20 0 CHADMN C[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ncccc2[O-])C1 ZINC000582208181 1119034045 /nfs/dbraw/zinc/03/40/45/1119034045.db2.gz KUIXJIUWNXVYLI-RHSMWYFYSA-N 0 1 282.387 3.760 20 0 CHADMN C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ncccc2[O-])C1 ZINC000582208181 1119034049 /nfs/dbraw/zinc/03/40/49/1119034049.db2.gz KUIXJIUWNXVYLI-RHSMWYFYSA-N 0 1 282.387 3.760 20 0 CHADMN CC[C@@H](NC(=O)c1cccc(F)c1O)C1CCCCC1 ZINC001125591526 1119046196 /nfs/dbraw/zinc/04/61/96/1119046196.db2.gz AZGSDPYKAQAYSH-CQSZACIVSA-N 0 1 279.355 3.620 20 0 CHADMN Cc1c[nH]c(CN[C@@H](c2cccc(C)c2)C(C)(C)C)n1 ZINC000657390505 1119050678 /nfs/dbraw/zinc/05/06/78/1119050678.db2.gz XBYIVZLWBUQEDR-INIZCTEOSA-N 0 1 271.408 3.904 20 0 CHADMN C[C@@H](N[C@@H]1CCOC12CCCC2)c1nc2ccccc2o1 ZINC000934386877 1119056493 /nfs/dbraw/zinc/05/64/93/1119056493.db2.gz UBIYZBRIMPAHRJ-IUODEOHRSA-N 0 1 286.375 3.580 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000582366045 1119060049 /nfs/dbraw/zinc/06/00/49/1119060049.db2.gz XHRCFZGFFNGHCU-CVEARBPZSA-N 0 1 275.392 3.509 20 0 CHADMN C[C@@H](NC/C=C/Cl)c1ccc(F)c(Br)c1 ZINC000309067730 1119066732 /nfs/dbraw/zinc/06/67/32/1119066732.db2.gz AZXVTIGFCORSJT-IBDUZEINSA-N 0 1 292.579 3.991 20 0 CHADMN Cc1ncc(CN(C2CC2)[C@@H]2CCc3ccccc32)o1 ZINC000628150592 1128819654 /nfs/dbraw/zinc/81/96/54/1128819654.db2.gz ZSUYZIGUBXZZKS-QGZVFWFLSA-N 0 1 268.360 3.635 20 0 CHADMN CCc1cccc2cc(CN[C@@H](C)c3cn[nH]c3)oc21 ZINC000657418868 1119072237 /nfs/dbraw/zinc/07/22/37/1119072237.db2.gz NJHAYVHTDJUUMJ-NSHDSACASA-N 0 1 269.348 3.569 20 0 CHADMN Cc1cc(CNCc2c(C3CC3)cnn2C)ccc1Cl ZINC000657434481 1119086436 /nfs/dbraw/zinc/08/64/36/1119086436.db2.gz FIQOHVNMBXCJGI-UHFFFAOYSA-N 0 1 289.810 3.549 20 0 CHADMN C[C@@H]1CN(CCCOC(F)(F)F)[C@@H]1c1ccccc1 ZINC001167576840 1119090360 /nfs/dbraw/zinc/09/03/60/1119090360.db2.gz OUJSRNMDVOFABK-YPMHNXCESA-N 0 1 273.298 3.606 20 0 CHADMN C[C@@H](c1c(F)cccc1F)[N@@H+](C)CC[C@H]1CCCO1 ZINC000342589242 1119093661 /nfs/dbraw/zinc/09/36/61/1119093661.db2.gz MIOVFOJPTDTTRT-NWDGAFQWSA-N 0 1 269.335 3.527 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N(C)CC[C@H]1CCCO1 ZINC000342589242 1119093664 /nfs/dbraw/zinc/09/36/64/1119093664.db2.gz MIOVFOJPTDTTRT-NWDGAFQWSA-N 0 1 269.335 3.527 20 0 CHADMN Cc1nc(CN2CCC[C@@H](C(C)(C)C)CC2)[nH]c1C ZINC000628176644 1128822014 /nfs/dbraw/zinc/82/20/14/1128822014.db2.gz RWPBAOMEQZXEFI-CQSZACIVSA-N 0 1 263.429 3.675 20 0 CHADMN CC[C@@H](NCc1ccnn1CC)c1csc(C)c1 ZINC000647254392 1119112146 /nfs/dbraw/zinc/11/21/46/1119112146.db2.gz JSRNBZLURHOZKC-CQSZACIVSA-N 0 1 263.410 3.514 20 0 CHADMN CC1(C)CCC(CSc2nc(C3CC3)n[nH]2)CC1 ZINC000342660257 1119116962 /nfs/dbraw/zinc/11/69/62/1119116962.db2.gz IBPWBJKFZQXUPL-UHFFFAOYSA-N 0 1 265.426 3.991 20 0 CHADMN CC1(C)CCC(CSc2n[nH]c(C3CC3)n2)CC1 ZINC000342660257 1119116963 /nfs/dbraw/zinc/11/69/63/1119116963.db2.gz IBPWBJKFZQXUPL-UHFFFAOYSA-N 0 1 265.426 3.991 20 0 CHADMN C[C@H](C1CC1)N(Cc1nc(C2CC2)cs1)C1CC1 ZINC000342675033 1119121070 /nfs/dbraw/zinc/12/10/70/1119121070.db2.gz XQHNEPKVDKIABJ-SNVBAGLBSA-N 0 1 262.422 3.783 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2cccc3nccn32)cc1 ZINC000342679792 1119122583 /nfs/dbraw/zinc/12/25/83/1119122583.db2.gz ZFYPQJYLDHVNCP-UHFFFAOYSA-N 0 1 279.387 3.529 20 0 CHADMN CCc1ccc(CN(C)Cc2cccc3nccn32)cc1 ZINC000342679792 1119122584 /nfs/dbraw/zinc/12/25/84/1119122584.db2.gz ZFYPQJYLDHVNCP-UHFFFAOYSA-N 0 1 279.387 3.529 20 0 CHADMN COc1nc(Cl)cc(Nc2ccnc(C(C)(C)C)c2)n1 ZINC001213161042 1119126655 /nfs/dbraw/zinc/12/66/55/1119126655.db2.gz ZFHIRPPVYRZGLO-UHFFFAOYSA-N 0 1 292.770 3.575 20 0 CHADMN Cc1c[nH]c(CN2CCCC3(C2)CCCCCC3)n1 ZINC000628186110 1128823450 /nfs/dbraw/zinc/82/34/50/1128823450.db2.gz XSJZWELTOKQVFJ-UHFFFAOYSA-N 0 1 261.413 3.655 20 0 CHADMN CCc1nnc(SCC2CCC(C)(C)CC2)[nH]1 ZINC000342698212 1119129487 /nfs/dbraw/zinc/12/94/87/1119129487.db2.gz WPWYOQZTSUOZOG-UHFFFAOYSA-N 0 1 253.415 3.676 20 0 CHADMN CCc1n[nH]c(SCC2CCC(C)(C)CC2)n1 ZINC000342698212 1119129488 /nfs/dbraw/zinc/12/94/88/1119129488.db2.gz WPWYOQZTSUOZOG-UHFFFAOYSA-N 0 1 253.415 3.676 20 0 CHADMN C(NC1CCC(C2CCC2)CC1)c1nnc(C2CC2)s1 ZINC000657496276 1119130746 /nfs/dbraw/zinc/13/07/46/1119130746.db2.gz NUZMFLHONOIIPC-UHFFFAOYSA-N 0 1 291.464 3.864 20 0 CHADMN COCc1cnc(CN(C2CC2)C2CCC(C)CC2)s1 ZINC000342702520 1119132080 /nfs/dbraw/zinc/13/20/80/1119132080.db2.gz HWFIDODZVVXCHX-UHFFFAOYSA-N 0 1 294.464 3.833 20 0 CHADMN CCc1cccc(CNCc2c(C3CCC3)cnn2C)c1 ZINC000657502994 1119135463 /nfs/dbraw/zinc/13/54/63/1119135463.db2.gz RYANLILHRZQAFM-UHFFFAOYSA-N 0 1 283.419 3.540 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H]1CCCc2cccnc21 ZINC000684958725 1119142718 /nfs/dbraw/zinc/14/27/18/1119142718.db2.gz UUIDVXRSYPKRDB-BBRMVZONSA-N 0 1 267.376 3.513 20 0 CHADMN Cc1cnc(CN(C)CCc2cccc3ccccc32)n1C ZINC000342772565 1119160553 /nfs/dbraw/zinc/16/05/53/1119160553.db2.gz BCKUNCKQIUHUKQ-UHFFFAOYSA-N 0 1 293.414 3.556 20 0 CHADMN CCc1nc(CN(C)C[C@H](C)CC(C)C)cs1 ZINC000684999992 1119162255 /nfs/dbraw/zinc/16/22/55/1119162255.db2.gz ACWGKCXTAUQYQU-GFCCVEGCSA-N 0 1 254.443 3.820 20 0 CHADMN COc1ccccc1/C=C/CN[C@@H](C)c1nc(C)cs1 ZINC000069168218 1128830982 /nfs/dbraw/zinc/83/09/82/1128830982.db2.gz SOADEVRKIVQUJT-CFNZNRNTSA-N 0 1 288.416 3.824 20 0 CHADMN CCC[C@H](C)N(C)CC(=O)Nc1sc(C)c(C)c1C ZINC000075622819 1119178109 /nfs/dbraw/zinc/17/81/09/1119178109.db2.gz YGXXAWRIWMNDMD-JTQLQIEISA-N 0 1 282.453 3.732 20 0 CHADMN Cc1cnc(CN2CCC[C@H](Cc3ccc(C)cc3)C2)o1 ZINC000075676662 1119179002 /nfs/dbraw/zinc/17/90/02/1119179002.db2.gz STZHVYRGCQASJK-QGZVFWFLSA-N 0 1 284.403 3.746 20 0 CHADMN Cc1cc(C)c(NC(=O)[C@H](C)N2CCC(C)(C)C2)c(C)c1 ZINC000076013065 1119181542 /nfs/dbraw/zinc/18/15/42/1119181542.db2.gz BOWVCFJRPWGITO-HNNXBMFYSA-N 0 1 288.435 3.671 20 0 CHADMN Cc1ccc(-c2nnc(CN3C[C@@H](C)CC[C@@H]3C)o2)cc1 ZINC000076150339 1119183061 /nfs/dbraw/zinc/18/30/61/1119183061.db2.gz XFGIZYHNCSVYNR-KBPBESRZSA-N 0 1 285.391 3.665 20 0 CHADMN CCC[C@]1(C)CCCN([C@@H](C)c2nnc(CC)o2)C1 ZINC000076145955 1119183512 /nfs/dbraw/zinc/18/35/12/1119183512.db2.gz NCPDYAHDXCIFKP-SWLSCSKDSA-N 0 1 265.401 3.595 20 0 CHADMN C[C@H](Cc1cccs1)N(C)Cc1noc2c1CCCC2 ZINC001167608092 1119187639 /nfs/dbraw/zinc/18/76/39/1119187639.db2.gz JGOKTVJNIFLMQL-GFCCVEGCSA-N 0 1 290.432 3.678 20 0 CHADMN Cc1nc2cc(Nc3ccc(C)nc3C)ccc2[nH]1 ZINC001213070297 1128827699 /nfs/dbraw/zinc/82/76/99/1128827699.db2.gz JFSODYHRJORMGM-UHFFFAOYSA-N 0 1 252.321 3.627 20 0 CHADMN CC(C)(C)/C=C/C(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1 ZINC001167608842 1119195053 /nfs/dbraw/zinc/19/50/53/1119195053.db2.gz AIWRKCNNWHTMQR-SNAWJCMRSA-N 0 1 295.745 3.896 20 0 CHADMN Cc1nc(C)c(CNCc2ccc3[nH]c(C)c(C)c3c2)o1 ZINC000628210018 1128828388 /nfs/dbraw/zinc/82/83/88/1128828388.db2.gz DIUSHLZTGNGRIQ-UHFFFAOYSA-N 0 1 283.375 3.679 20 0 CHADMN Cn1cc(CNCc2ccc3occc3c2)c(C(C)(C)C)n1 ZINC000657585190 1119197974 /nfs/dbraw/zinc/19/79/74/1119197974.db2.gz OXLLOPGNVYIWOR-UHFFFAOYSA-N 0 1 297.402 3.754 20 0 CHADMN FC(F)(F)CC1CCN(Cc2ccsc2)CC1 ZINC000342844810 1119206280 /nfs/dbraw/zinc/20/62/80/1119206280.db2.gz UMWSJYRLXHUYAJ-UHFFFAOYSA-N 0 1 263.328 3.913 20 0 CHADMN CCn1cc(CN[C@H](c2ccccc2F)C(C)C)cn1 ZINC000657616558 1119208515 /nfs/dbraw/zinc/20/85/15/1119208515.db2.gz YQICNOZBZLACFB-INIZCTEOSA-N 0 1 275.371 3.529 20 0 CHADMN C[C@H]1Cc2ccccc2[C@@H]1NCc1cnc2ccccc2n1 ZINC000628211996 1128829110 /nfs/dbraw/zinc/82/91/10/1128829110.db2.gz WLPKQALDWRDFFT-ORAYPTAESA-N 0 1 289.382 3.653 20 0 CHADMN CC(C)[C@H](O)C1(CNc2ccnc3cc(F)ccc32)CC1 ZINC000342850847 1119209237 /nfs/dbraw/zinc/20/92/37/1119209237.db2.gz PLHBOOKCBLQDQN-INIZCTEOSA-N 0 1 288.366 3.583 20 0 CHADMN CCc1ncc(CN[C@@H](c2ccccc2F)C(C)C)cn1 ZINC000657614000 1119209266 /nfs/dbraw/zinc/20/92/66/1119209266.db2.gz ARFJQTOFFWRCKF-QGZVFWFLSA-N 0 1 287.382 3.665 20 0 CHADMN CCC[C@@H](NCC1=CCCOC1)c1ncccc1Cl ZINC000926426680 1119211552 /nfs/dbraw/zinc/21/15/52/1119211552.db2.gz MEGLIJHLPYNDCY-CQSZACIVSA-N 0 1 280.799 3.513 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(C)cc2OC)cc1 ZINC000119857907 1119223737 /nfs/dbraw/zinc/22/37/37/1119223737.db2.gz WHYWPIHUQYRWOE-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN CCCc1ccc(CNCc2c(C3CC3)cnn2C)cc1 ZINC000657662150 1119229310 /nfs/dbraw/zinc/22/93/10/1119229310.db2.gz UNXCMCCRHCQPFF-UHFFFAOYSA-N 0 1 283.419 3.540 20 0 CHADMN CC(C)c1ncc(CN(C)[C@@H]2CCc3ccccc32)cn1 ZINC000685040757 1119238335 /nfs/dbraw/zinc/23/83/35/1119238335.db2.gz QQTUJWGXIVKAJK-QGZVFWFLSA-N 0 1 281.403 3.719 20 0 CHADMN Clc1ccc([C@@H](Nc2ncnc3[nH]cnc32)C2CC2)cc1 ZINC000078600398 1119238600 /nfs/dbraw/zinc/23/86/00/1119238600.db2.gz GSQFWFXFBJXHPR-LBPRGKRZSA-N 0 1 299.765 3.570 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CCC[C@@H]1c1ccsc1 ZINC000342905120 1119239544 /nfs/dbraw/zinc/23/95/44/1119239544.db2.gz RYSPBVOROPXBAX-CQSZACIVSA-N 0 1 297.383 3.602 20 0 CHADMN Cc1ncc(CN2CC=C(c3c[nH]c4ccccc43)CC2)o1 ZINC000628231951 1128831559 /nfs/dbraw/zinc/83/15/59/1128831559.db2.gz HNDCRNUQONDTBA-UHFFFAOYSA-N 0 1 293.370 3.754 20 0 CHADMN CC(=O)c1cccc(Nc2ccnc(C(C)(C)C)c2)n1 ZINC001213164655 1119240200 /nfs/dbraw/zinc/24/02/00/1119240200.db2.gz WRQSNAGQQXFUKX-UHFFFAOYSA-N 0 1 269.348 3.720 20 0 CHADMN Clc1ccc(CN2CC[C@]3(CCOC3)C2)cc1Cl ZINC000153510782 1119240933 /nfs/dbraw/zinc/24/09/33/1119240933.db2.gz KPOLSHZHHUHKNZ-AWEZNQCLSA-N 0 1 286.202 3.606 20 0 CHADMN CC(C)c1cnc(CNCC2(C(F)(F)F)CC2)s1 ZINC000353048369 1119245516 /nfs/dbraw/zinc/24/55/16/1119245516.db2.gz AGPZWLMGFGLWFZ-UHFFFAOYSA-N 0 1 278.343 3.699 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1nc3c(s1)CCC3)[C@H](C)C2 ZINC000657695786 1119254466 /nfs/dbraw/zinc/25/44/66/1119254466.db2.gz AUXBEBHBGIZQHT-XIKOKIGWSA-N 0 1 298.455 3.963 20 0 CHADMN C[C@H](N[C@@H]1CCOC1)c1cc(Cl)cc(Cl)c1F ZINC000692390053 1119254910 /nfs/dbraw/zinc/25/49/10/1119254910.db2.gz LOHMLNZVMXEVTR-IONNQARKSA-N 0 1 278.154 3.572 20 0 CHADMN CCC[C@H](C)N(C)CC(=O)Nc1ccc(F)cc1Cl ZINC000078868175 1119256868 /nfs/dbraw/zinc/25/68/68/1119256868.db2.gz PKGZNFUGVMHQBH-JTQLQIEISA-N 0 1 286.778 3.538 20 0 CHADMN CC(C)c1noc([C@H](C)N[C@@H]2CCC[C@H](C)[C@H]2C)n1 ZINC000078900280 1119258354 /nfs/dbraw/zinc/25/83/54/1119258354.db2.gz BLWBEPJMRPORNJ-QNWHQSFQSA-N 0 1 265.401 3.668 20 0 CHADMN Cc1cnc(CN[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)s1 ZINC000657703281 1119258697 /nfs/dbraw/zinc/25/86/97/1119258697.db2.gz WAZUGGACWQIZHG-CHWSQXEVSA-N 0 1 294.464 3.667 20 0 CHADMN Cc1cnc(CN[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)s1 ZINC000657703285 1119258807 /nfs/dbraw/zinc/25/88/07/1119258807.db2.gz WAZUGGACWQIZHG-QWHCGFSZSA-N 0 1 294.464 3.667 20 0 CHADMN Cc1ccc(OC2CCN(C/C=C\Cl)CC2)cc1 ZINC000255559691 1119266812 /nfs/dbraw/zinc/26/68/12/1119266812.db2.gz GZHASSQYEQLDPY-MBXJOHMKSA-N 0 1 265.784 3.591 20 0 CHADMN Fc1cnc(Cl)cc1CN1CCC[C@@H]2CCC[C@H]21 ZINC001140610404 1119267567 /nfs/dbraw/zinc/26/75/67/1119267567.db2.gz FNMUSVZRMWILAM-GXFFZTMASA-N 0 1 268.763 3.639 20 0 CHADMN Cc1ncc(CN2CC[C@H](C)[C@H]2c2cccc(F)c2)o1 ZINC000628185254 1119267876 /nfs/dbraw/zinc/26/78/76/1119267876.db2.gz RRPFRCOJRSNKET-ZBEGNZNMSA-N 0 1 274.339 3.705 20 0 CHADMN CCc1nnc(CN2CCC[C@@H]2c2c(C)cccc2C)o1 ZINC000661133375 1119273695 /nfs/dbraw/zinc/27/36/95/1119273695.db2.gz HCCRCJUWBOHZCY-CQSZACIVSA-N 0 1 285.391 3.586 20 0 CHADMN CO[C@H]1CCCN(Cc2cc(C)cc(C(F)(F)F)c2)C1 ZINC001143448621 1119275885 /nfs/dbraw/zinc/27/58/85/1119275885.db2.gz QHIQFKHIYCJNJA-AWEZNQCLSA-N 0 1 287.325 3.625 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2cccnc21)c1ccsc1 ZINC000091661575 1119280080 /nfs/dbraw/zinc/28/00/80/1119280080.db2.gz CBWPFOQEWGZJID-BXUZGUMPSA-N 0 1 258.390 3.871 20 0 CHADMN CSCCCSc1nnc(CCC2CCCC2)[nH]1 ZINC000153779180 1119286307 /nfs/dbraw/zinc/28/63/07/1119286307.db2.gz IDYJQQCHVPKBOC-UHFFFAOYSA-N 0 1 285.482 3.773 20 0 CHADMN CSCCCSc1nc(CCC2CCCC2)n[nH]1 ZINC000153779180 1119286309 /nfs/dbraw/zinc/28/63/09/1119286309.db2.gz IDYJQQCHVPKBOC-UHFFFAOYSA-N 0 1 285.482 3.773 20 0 CHADMN C[C@]12CCCC[C@H]1CN2Cc1cn2cc(Cl)ccc2n1 ZINC000626105878 1119288519 /nfs/dbraw/zinc/28/85/19/1119288519.db2.gz SXJPEYBFAJQMEP-LRDDRELGSA-N 0 1 289.810 3.752 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(OC(C)C)c2)cn1 ZINC000154006160 1119299530 /nfs/dbraw/zinc/29/95/30/1119299530.db2.gz PCJNAIYFEFOOLC-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN CC(C)N(C(=O)c1cc(-c2cccs2)[nH]n1)C1CCC1 ZINC000154231160 1119305562 /nfs/dbraw/zinc/30/55/62/1119305562.db2.gz PCIKMEWTIYLUES-UHFFFAOYSA-N 0 1 289.404 3.541 20 0 CHADMN CCCC1CCC(N(C)Cc2nc(C)c(C)[nH]2)CC1 ZINC000628251681 1128836450 /nfs/dbraw/zinc/83/64/50/1128836450.db2.gz RHECDKNERQSTOW-UHFFFAOYSA-N 0 1 263.429 3.817 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cccc(O)c1)CCCO2 ZINC000154423894 1119310886 /nfs/dbraw/zinc/31/08/86/1119310886.db2.gz LQNNIKGZAUMFDU-QGZVFWFLSA-N 0 1 283.371 3.704 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cccnc1OC(C)C)CC2 ZINC000318934338 1119312722 /nfs/dbraw/zinc/31/27/22/1119312722.db2.gz PLOUCHUVCBPJKE-SFHVURJKSA-N 0 1 296.414 3.954 20 0 CHADMN CC1=CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000535965698 1119317842 /nfs/dbraw/zinc/31/78/42/1119317842.db2.gz FUTMBSANTZFNAN-UHFFFAOYSA-N 0 1 271.282 3.737 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc(-n2cccn2)c1)c1ccco1 ZINC000154859412 1119320172 /nfs/dbraw/zinc/32/01/72/1119320172.db2.gz YAHCWYWJPGIQSA-ZIAGYGMSSA-N 0 1 281.359 3.877 20 0 CHADMN Fc1cccc(CN2CCC(c3ccco3)CC2)c1 ZINC000661164756 1119326341 /nfs/dbraw/zinc/32/63/41/1119326341.db2.gz LBIRGFQTNJLITB-UHFFFAOYSA-N 0 1 259.324 3.798 20 0 CHADMN Clc1ccccc1OC1CCN(Cc2ccco2)CC1 ZINC000155114508 1119327515 /nfs/dbraw/zinc/32/75/15/1119327515.db2.gz AEGQHKZXABCBCW-UHFFFAOYSA-N 0 1 291.778 3.976 20 0 CHADMN O=C([O-])CCCCC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000583267564 1119330234 /nfs/dbraw/zinc/33/02/34/1119330234.db2.gz AAZVINPJSYXJLN-HNNXBMFYSA-N 0 1 279.355 3.608 20 0 CHADMN CC(C)(C)c1nc(CNCC2=CCCC2)cs1 ZINC000657748356 1119334908 /nfs/dbraw/zinc/33/49/08/1119334908.db2.gz HZBGMJNLQSIXJY-UHFFFAOYSA-N 0 1 250.411 3.641 20 0 CHADMN Cc1cc(C)cc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000050925863 1119339386 /nfs/dbraw/zinc/33/93/86/1119339386.db2.gz YCNOACMHTGRPJE-MRXNPFEDSA-N 0 1 275.392 3.523 20 0 CHADMN C/C=C(/CC)C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000588575410 1119339937 /nfs/dbraw/zinc/33/99/37/1119339937.db2.gz VWIHVIYDHNKTBW-RZNTYIFUSA-N 0 1 286.419 3.953 20 0 CHADMN F[C@@H]1CN(Cc2cccc3ccncc32)CCCC1(F)F ZINC001140639907 1119340983 /nfs/dbraw/zinc/34/09/83/1119340983.db2.gz DGYDDZXBVJADEU-OAHLLOKOSA-N 0 1 294.320 3.804 20 0 CHADMN Cc1nc2cc(Nc3ccnc(Cl)c3)ccc2[nH]1 ZINC001213070629 1128839888 /nfs/dbraw/zinc/83/98/88/1128839888.db2.gz ZWEVTBZELDDJFP-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000428944726 1119351841 /nfs/dbraw/zinc/35/18/41/1119351841.db2.gz UZZVBPYBRZXLQK-WDEREUQCSA-N 0 1 290.329 3.879 20 0 CHADMN Cc1nc(C(C)C)oc1CN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000428944726 1119351844 /nfs/dbraw/zinc/35/18/44/1119351844.db2.gz UZZVBPYBRZXLQK-WDEREUQCSA-N 0 1 290.329 3.879 20 0 CHADMN Cc1c[nH]c(CN2C[C@H](C)CC[C@H]2c2ccccc2)n1 ZINC000628273451 1128840019 /nfs/dbraw/zinc/84/00/19/1128840019.db2.gz VIZFWJILBXYDJM-CJNGLKHVSA-N 0 1 269.392 3.691 20 0 CHADMN CCc1ccccc1CN[C@H]1COCc2ccccc21 ZINC000226001821 1119354162 /nfs/dbraw/zinc/35/41/62/1119354162.db2.gz VNECNJDSQZDXOU-SFHVURJKSA-N 0 1 267.372 3.610 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H](C)Oc2cccc(Cl)c2)n1 ZINC000051018754 1119363487 /nfs/dbraw/zinc/36/34/87/1119363487.db2.gz LJXAYZBIXQPIRV-SKDRFNHKSA-N 0 1 295.770 3.519 20 0 CHADMN CC(C)[C@H](N)c1noc([C@H](C)Oc2cccc(Cl)c2)n1 ZINC000051018756 1119363534 /nfs/dbraw/zinc/36/35/34/1119363534.db2.gz LJXAYZBIXQPIRV-CABZTGNLSA-N 0 1 295.770 3.519 20 0 CHADMN CSc1ccc(C)c(NC(=O)CN2[C@H](C)CC[C@H]2C)c1 ZINC000343354949 1119396603 /nfs/dbraw/zinc/39/66/03/1119396603.db2.gz YOZNHLCSLWVYAI-CHWSQXEVSA-N 0 1 292.448 3.528 20 0 CHADMN CC(C)(C)[C@@H]1CC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000393381696 1119403619 /nfs/dbraw/zinc/40/36/19/1119403619.db2.gz OFJJUXJSHFEUJR-GFCCVEGCSA-N 0 1 267.800 3.914 20 0 CHADMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000393381696 1119403621 /nfs/dbraw/zinc/40/36/21/1119403621.db2.gz OFJJUXJSHFEUJR-GFCCVEGCSA-N 0 1 267.800 3.914 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2ccc(Br)cn2)C1 ZINC000168124630 1119404969 /nfs/dbraw/zinc/40/49/69/1119404969.db2.gz BDDSPZSSXDHYDR-NSHDSACASA-N 0 1 297.240 3.712 20 0 CHADMN Cc1nc(C)c(CN[C@H]2CCCc3c(F)cccc32)o1 ZINC000628296874 1128844149 /nfs/dbraw/zinc/84/41/49/1128844149.db2.gz BGSFMQPNEJWZOW-HNNXBMFYSA-N 0 1 274.339 3.598 20 0 CHADMN Cc1noc([C@H]2CCC[N@@H+]2CC2CCC(C(C)C)CC2)n1 ZINC000583780057 1119411554 /nfs/dbraw/zinc/41/15/54/1119411554.db2.gz XNLMFSPGQKYZGQ-UYSNPLJNSA-N 0 1 291.439 3.977 20 0 CHADMN Cc1ncc(CN([C@@H](C)c2ccccc2)C2CC2)o1 ZINC000628130954 1119416706 /nfs/dbraw/zinc/41/67/06/1119416706.db2.gz NPPKAJWYXAMJNH-LBPRGKRZSA-N 0 1 256.349 3.709 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1cc(C)c(O)c(C)c1)CCO2 ZINC000583816637 1119417633 /nfs/dbraw/zinc/41/76/33/1119417633.db2.gz FYNPSQQTAPZFJG-UHFFFAOYSA-N 0 1 297.398 3.712 20 0 CHADMN COCCCOc1cccc(-c2nc3ccc(C)cc3[nH]2)c1 ZINC000536139998 1119419419 /nfs/dbraw/zinc/41/94/19/1119419419.db2.gz GCHGEEZFQQPCBI-UHFFFAOYSA-N 0 1 296.370 3.954 20 0 CHADMN CCN(Cc1cnc(C2CC2)o1)Cc1ccc(C)cc1 ZINC000628135098 1119425052 /nfs/dbraw/zinc/42/50/52/1119425052.db2.gz MQBZEVYCYVZTSE-UHFFFAOYSA-N 0 1 270.376 3.883 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N1CCCC2(CCCC2)CC1 ZINC000617566822 1128847514 /nfs/dbraw/zinc/84/75/14/1128847514.db2.gz UHECBUNVEVBQHR-UHFFFAOYSA-N 0 1 297.402 3.749 20 0 CHADMN C[C@@H](N(C)C(=O)c1cc(C2CCCCC2)[nH]n1)C(C)(C)C ZINC000536155949 1119430556 /nfs/dbraw/zinc/43/05/56/1119430556.db2.gz VSZLMKLTYUDZEF-GFCCVEGCSA-N 0 1 291.439 3.964 20 0 CHADMN C[C@@H](NCc1cccc(Cl)c1)c1cncs1 ZINC000131900244 1119437427 /nfs/dbraw/zinc/43/74/27/1119437427.db2.gz VGECKHPUPYKZAV-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N1CCCC2(CCCC2)CC1 ZINC000617565877 1128846599 /nfs/dbraw/zinc/84/65/99/1128846599.db2.gz KCBIVCVYOGUYFF-UHFFFAOYSA-N 0 1 297.402 3.749 20 0 CHADMN C[C@H](O)[C@H](NCc1ccc(Cl)s1)c1ccccc1 ZINC000657815476 1119453161 /nfs/dbraw/zinc/45/31/61/1119453161.db2.gz HRUQPLGUPZQCAU-HZMBPMFUSA-N 0 1 281.808 3.613 20 0 CHADMN C[C@H](O)[C@H](NCc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000657818581 1119457784 /nfs/dbraw/zinc/45/77/84/1119457784.db2.gz RCZZWESNFFGVCJ-ZBEGNZNMSA-N 0 1 293.769 3.691 20 0 CHADMN CCCCCC[C@@H](C)CC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161985350 1119459360 /nfs/dbraw/zinc/45/93/60/1119459360.db2.gz BCAZAHMBOFCGII-ZIAGYGMSSA-N 0 1 293.455 3.762 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccccc2)[C@@H](C)O)c(Cl)c1 ZINC000657821180 1119465452 /nfs/dbraw/zinc/46/54/52/1119465452.db2.gz WZJDQHDRRTYNCM-CXAGYDPISA-N 0 1 289.806 3.860 20 0 CHADMN COc1cc(C)ccc1[C@H](C)N[C@@H](C)c1cncc(F)c1 ZINC000584040561 1119465511 /nfs/dbraw/zinc/46/55/11/1119465511.db2.gz PBSGFRPXGITVBT-STQMWFEESA-N 0 1 288.366 3.950 20 0 CHADMN O=C(c1cccc2[nH]cnc21)N1CCC[C@H]1c1ccccc1 ZINC000158735467 1119468621 /nfs/dbraw/zinc/46/86/21/1119468621.db2.gz MDIFUFWXCPEFOJ-INIZCTEOSA-N 0 1 291.354 3.540 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(C(F)F)nc1)c1cccnc1 ZINC000657824507 1119468638 /nfs/dbraw/zinc/46/86/38/1119468638.db2.gz JNCWBRLXXVOKRN-QWRGUYRKSA-N 0 1 277.318 3.826 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc2cnccc2o1)c1cccnc1 ZINC000657824455 1119470203 /nfs/dbraw/zinc/47/02/03/1119470203.db2.gz JDVUTWQFOPQPRX-NEPJUHHUSA-N 0 1 267.332 3.635 20 0 CHADMN C[C@H](N[C@H]1CCCOc2ccccc21)c1cncs1 ZINC000133530119 1119472186 /nfs/dbraw/zinc/47/21/86/1119472186.db2.gz JAZRDQQDDOURRV-AAEUAGOBSA-N 0 1 274.389 3.708 20 0 CHADMN Cc1ccc2c(c1)CN(c1ccnc(C)c1Cl)CCO2 ZINC000343630330 1119475123 /nfs/dbraw/zinc/47/51/23/1119475123.db2.gz MAUWATMBSVOQJI-UHFFFAOYSA-N 0 1 288.778 3.751 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccc(C2CCCC2)cc1 ZINC000650795652 1119476230 /nfs/dbraw/zinc/47/62/30/1119476230.db2.gz BIHGOLSBPUSSON-CXAGYDPISA-N 0 1 287.403 3.782 20 0 CHADMN CCc1nocc1CNCCOc1ccc(C(C)C)cc1 ZINC000584101326 1119476668 /nfs/dbraw/zinc/47/66/68/1119476668.db2.gz GOEUZPRNZBMFLC-UHFFFAOYSA-N 0 1 288.391 3.529 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CCCCCC(=O)[O-] ZINC000565104837 1119477021 /nfs/dbraw/zinc/47/70/21/1119477021.db2.gz LAVHUUWASOJAOL-NVXWUHKLSA-N 0 1 289.419 3.900 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2ccncc2Br)CC1 ZINC001137697942 1119478838 /nfs/dbraw/zinc/47/88/38/1119478838.db2.gz CJNJEXIQWYBANS-AULYBMBSSA-N 0 1 297.240 3.855 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2ccncc2Br)CC1 ZINC001137697942 1119478839 /nfs/dbraw/zinc/47/88/39/1119478839.db2.gz CJNJEXIQWYBANS-AULYBMBSSA-N 0 1 297.240 3.855 20 0 CHADMN CCC[N@@H+](CC)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000343648113 1119478958 /nfs/dbraw/zinc/47/89/58/1119478958.db2.gz NDPVNKAHIAEOII-CYBMUJFWSA-N 0 1 273.380 3.838 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H](C)c1ccccc1C ZINC000935197849 1119483497 /nfs/dbraw/zinc/48/34/97/1119483497.db2.gz UWPKYYPXYQQWRS-VIFPVBQESA-N 0 1 293.317 3.706 20 0 CHADMN COC(=O)c1ccccc1CN(C)[C@H]1CCc2ccccc21 ZINC000350001393 1119484446 /nfs/dbraw/zinc/48/44/46/1119484446.db2.gz KPVOXPQPIKWQSN-SFHVURJKSA-N 0 1 295.382 3.593 20 0 CHADMN CCCCC[C@H](C)N[C@@H](c1nc(C)no1)C(C)C ZINC000167916832 1119489176 /nfs/dbraw/zinc/48/91/76/1119489176.db2.gz AQGZXROJXKGAPX-WCQYABFASA-N 0 1 253.390 3.634 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@@H]2CC[C@@H](C)C[C@H]2C)n1 ZINC000248575053 1119489968 /nfs/dbraw/zinc/48/99/68/1119489968.db2.gz SVZQAARVDUODEQ-FDYHWXHSSA-N 0 1 297.468 3.798 20 0 CHADMN CCCCOc1ccc(Nc2c(C)ncn2C)cc1F ZINC001211612864 1119491613 /nfs/dbraw/zinc/49/16/13/1119491613.db2.gz KMPALUYDSUAIMJ-UHFFFAOYSA-N 0 1 277.343 3.790 20 0 CHADMN CC[C@H](CSC)N(C)Cc1nc(C2CC2)cs1 ZINC000343719442 1119494247 /nfs/dbraw/zinc/49/42/47/1119494247.db2.gz DALHNICELMZUMW-LLVKDONJSA-N 0 1 270.467 3.594 20 0 CHADMN Cc1nc(CN2CC[C@H](c3ccccc3)[C@H](C)C2)[nH]c1C ZINC000628183527 1119494508 /nfs/dbraw/zinc/49/45/08/1119494508.db2.gz FOIFIJSPTHUIBX-DYVFJYSZSA-N 0 1 283.419 3.652 20 0 CHADMN Cc1c[nH]c(CN(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000628185123 1119494546 /nfs/dbraw/zinc/49/45/46/1119494546.db2.gz LXKSOVULAWXUJA-STQMWFEESA-N 0 1 291.826 3.996 20 0 CHADMN Cc1ccc(CC2CN(Cc3cnc(C4CC4)o3)C2)cc1 ZINC000628341953 1128850174 /nfs/dbraw/zinc/85/01/74/1128850174.db2.gz WXPNZMLMLCXTPA-UHFFFAOYSA-N 0 1 282.387 3.535 20 0 CHADMN CCC(C)(C)OCCN[C@@H]1CCc2c1nccc2Cl ZINC000926558768 1119502835 /nfs/dbraw/zinc/50/28/35/1119502835.db2.gz HWPKCSXWLRWRQD-CYBMUJFWSA-N 0 1 282.815 3.517 20 0 CHADMN Cc1cc(CN[C@@H](C)Cc2ccc3c(c2)CCCC3)no1 ZINC000657850621 1119510472 /nfs/dbraw/zinc/51/04/72/1119510472.db2.gz IXPCAAQVZILMEU-ZDUSSCGKSA-N 0 1 284.403 3.583 20 0 CHADMN CCc1noc([C@H](C)[N@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)n1 ZINC000472318880 1119514778 /nfs/dbraw/zinc/51/47/78/1119514778.db2.gz ZFUZBDJSYGPHNY-YCPHGPKFSA-N 0 1 299.418 3.646 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@@H](Cc3ccccc3)[C@H]2C)n1 ZINC000472318880 1119514779 /nfs/dbraw/zinc/51/47/79/1119514779.db2.gz ZFUZBDJSYGPHNY-YCPHGPKFSA-N 0 1 299.418 3.646 20 0 CHADMN C[C@H]([N@@H+](C)Cc1cc2c(cc1Cl)OCCO2)C1(C)CC1 ZINC000343769363 1119516014 /nfs/dbraw/zinc/51/60/14/1119516014.db2.gz ZNWUQWGYWXQTEW-NSHDSACASA-N 0 1 295.810 3.732 20 0 CHADMN CC(C)CN(C)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000081957893 1119522619 /nfs/dbraw/zinc/52/26/19/1119522619.db2.gz INWMSMRIJARFDQ-UHFFFAOYSA-N 0 1 291.778 3.927 20 0 CHADMN CCOc1cccc(CN2CCC[C@H]2c2ccsc2)n1 ZINC000153548277 1119522638 /nfs/dbraw/zinc/52/26/38/1119522638.db2.gz TZIOXQSUXDZSRO-HNNXBMFYSA-N 0 1 288.416 3.879 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)[C@H]2CCC[C@H]21 ZINC000378718150 1119522858 /nfs/dbraw/zinc/52/28/58/1119522858.db2.gz DDNNQVFJIWAQBR-HIFRSBDPSA-N 0 1 291.366 3.534 20 0 CHADMN Cc1cc([C@H](C)NC2(c3cccc(C)c3)CCC2)nn1C ZINC000647332997 1119525721 /nfs/dbraw/zinc/52/57/21/1119525721.db2.gz JGSICVXJJVKPOP-HNNXBMFYSA-N 0 1 283.419 3.767 20 0 CHADMN C[C@@H]1C[C@@H](N[C@@H](CO)c2ccsc2)c2ccccc21 ZINC000343790899 1119535506 /nfs/dbraw/zinc/53/55/06/1119535506.db2.gz INTPCJZLUVRLGY-LYRGGWFBSA-N 0 1 273.401 3.620 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2C[C@@H]1C)c1ccc(F)cn1 ZINC000089613914 1119539892 /nfs/dbraw/zinc/53/98/92/1119539892.db2.gz BGFKTHRNVNLDLT-NVGCLXPQSA-N 0 1 270.351 3.805 20 0 CHADMN COC[C@H](N[C@H](C)c1csc(C(C)C)n1)C(C)C ZINC000090049366 1119543224 /nfs/dbraw/zinc/54/32/24/1119543224.db2.gz PJVCUWNLFUALEH-NEPJUHHUSA-N 0 1 270.442 3.588 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccccc1N(C)C)CO2 ZINC000090452199 1119544755 /nfs/dbraw/zinc/54/47/55/1119544755.db2.gz RRLLYMQYUSYYHR-RHSMWYFYSA-N 0 1 296.414 3.845 20 0 CHADMN Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cc2ncccc2[O-])c1 ZINC000584436804 1119545860 /nfs/dbraw/zinc/54/58/60/1119545860.db2.gz CCXLEWCSIPOBHM-QGZVFWFLSA-N 0 1 282.387 3.741 20 0 CHADMN Cc1ccc(C)c([C@H]2CCC[N@H+]2Cc2ncccc2[O-])c1 ZINC000584436804 1119545861 /nfs/dbraw/zinc/54/58/61/1119545861.db2.gz CCXLEWCSIPOBHM-QGZVFWFLSA-N 0 1 282.387 3.741 20 0 CHADMN Cc1nc(C)c(CN[C@H]2CCc3c2cccc3Cl)o1 ZINC000628209713 1119550656 /nfs/dbraw/zinc/55/06/56/1119550656.db2.gz PZDGZTYXIMUYGF-AWEZNQCLSA-N 0 1 276.767 3.722 20 0 CHADMN Clc1ccsc1CN1CCC[C@H](c2ccncn2)C1 ZINC000375753862 1119551305 /nfs/dbraw/zinc/55/13/05/1119551305.db2.gz AUHGBTWATXBNLC-NSHDSACASA-N 0 1 293.823 3.571 20 0 CHADMN Oc1cccc2c1CC[C@H]2NCc1cnc(C2CC2)s1 ZINC000134290039 1119559147 /nfs/dbraw/zinc/55/91/47/1119559147.db2.gz AFSDLDLKVFZBQW-CQSZACIVSA-N 0 1 286.400 3.503 20 0 CHADMN CCc1ncc(CN(CC)[C@@H](C)c2cccc(O)c2)s1 ZINC000091974804 1119559845 /nfs/dbraw/zinc/55/98/45/1119559845.db2.gz BHHHIPBKIASBLX-LBPRGKRZSA-N 0 1 290.432 3.994 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3c(C)cccc3C)ccc12 ZINC000091827116 1119560321 /nfs/dbraw/zinc/56/03/21/1119560321.db2.gz RUPWCEQVKVIUTC-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN Fc1c(Cl)cccc1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092073675 1119561218 /nfs/dbraw/zinc/56/12/18/1119561218.db2.gz QFBDMLJTFJOKHJ-GFCCVEGCSA-N 0 1 293.773 3.582 20 0 CHADMN CC(C)c1ccc([C@@H]2CCCCN2Cc2cnnn2C)cc1 ZINC000092102460 1119562109 /nfs/dbraw/zinc/56/21/09/1119562109.db2.gz KOBLXOKUWJZMGM-SFHVURJKSA-N 0 1 298.434 3.666 20 0 CHADMN Cc1cccc(-c2n[nH]cc2CN(C)CCC(F)(F)F)c1 ZINC000092478897 1119563031 /nfs/dbraw/zinc/56/30/31/1119563031.db2.gz CCCONQZTHWYVKF-UHFFFAOYSA-N 0 1 297.324 3.769 20 0 CHADMN C[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1ccc(F)cn1 ZINC000092742092 1119564989 /nfs/dbraw/zinc/56/49/89/1119564989.db2.gz CNBYWAKTNUUSSC-QLJPJBMISA-N 0 1 274.314 3.698 20 0 CHADMN c1c[nH]c([C@H]2CCCCN2C[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000092729205 1119565004 /nfs/dbraw/zinc/56/50/04/1119565004.db2.gz JINDJHZMLTYFMY-YESZJQIVSA-N 0 1 281.403 3.740 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(F)cn2)cc1F ZINC000092720932 1119565335 /nfs/dbraw/zinc/56/53/35/1119565335.db2.gz MDFPWJUENZXDAI-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN CCc1cnc(CN(C)C[C@H]2C[C@@H]2c2ccccc2)s1 ZINC000093807601 1119572021 /nfs/dbraw/zinc/57/20/21/1119572021.db2.gz UVUMLHXVLTVCAF-GDBMZVCRSA-N 0 1 286.444 3.941 20 0 CHADMN COc1cccc([C@@H](C)NCc2ccnc(Cl)c2)c1 ZINC000139649444 1119578463 /nfs/dbraw/zinc/57/84/63/1119578463.db2.gz DQFSVNBFPWZITH-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN Cc1cccc(C)c1NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000141402655 1119581023 /nfs/dbraw/zinc/58/10/23/1119581023.db2.gz KVCKISOKPFDFJD-UHFFFAOYSA-N 0 1 281.315 3.539 20 0 CHADMN CC(C)(C)C[C@@H]1CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000143989031 1119582158 /nfs/dbraw/zinc/58/21/58/1119582158.db2.gz ZZGAKJQIONRIDE-LBPRGKRZSA-N 0 1 285.391 3.604 20 0 CHADMN CC[C@@H](N[C@@H]1CCCn2nccc21)c1ccc(F)cc1F ZINC000657887750 1119597031 /nfs/dbraw/zinc/59/70/31/1119597031.db2.gz FIGIRRDDEQFFPE-HUUCEWRRSA-N 0 1 291.345 3.737 20 0 CHADMN C[C@H](N[C@H](CCO)c1ccccc1F)c1ccsc1 ZINC000647346044 1119598158 /nfs/dbraw/zinc/59/81/58/1119598158.db2.gz QOOFZJGVJBVUHJ-XHDPSFHLSA-N 0 1 279.380 3.662 20 0 CHADMN CCc1ccc([C@H]2CCCCCN2Cc2cncnc2)o1 ZINC000129036650 1119598711 /nfs/dbraw/zinc/59/87/11/1119598711.db2.gz GAJDTMFADXZDTE-MRXNPFEDSA-N 0 1 285.391 3.749 20 0 CHADMN CCCN(CCC)Cc1nc(-c2ccc(CC)cc2)no1 ZINC000302816269 1119605470 /nfs/dbraw/zinc/60/54/70/1119605470.db2.gz VSUMWCBGUZROCA-UHFFFAOYSA-N 0 1 287.407 3.921 20 0 CHADMN c1cc([C@H]2CCCC[N@@H+]2C[C@@H]2CCOc3ccccc32)n[nH]1 ZINC000685438116 1119608376 /nfs/dbraw/zinc/60/83/76/1119608376.db2.gz MPRVPBGCCZORHU-WMLDXEAASA-N 0 1 297.402 3.503 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](c1nccn1C)C1CC1)[C@@H](C)C2 ZINC000685439554 1119609024 /nfs/dbraw/zinc/60/90/24/1119609024.db2.gz SOUVXXREOICSKU-VHSSKADRSA-N 0 1 295.430 3.703 20 0 CHADMN Clc1ccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)o1 ZINC000685465053 1119611392 /nfs/dbraw/zinc/61/13/92/1119611392.db2.gz SXDOIEVXKPBIDA-OLZOCXBDSA-N 0 1 283.799 3.572 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1ccc(N(C)CC)nc1 ZINC000685470061 1119612203 /nfs/dbraw/zinc/61/22/03/1119612203.db2.gz NBGKEHOZDGIPOD-QGZVFWFLSA-N 0 1 298.434 3.516 20 0 CHADMN CCN(Cc1[nH]nc2ccccc21)[C@H](C)c1cccnc1 ZINC000685469188 1119612662 /nfs/dbraw/zinc/61/26/62/1119612662.db2.gz SMGJEPLVWLUWQU-CYBMUJFWSA-N 0 1 280.375 3.541 20 0 CHADMN FC1(F)CCCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000628422156 1128858114 /nfs/dbraw/zinc/85/81/14/1128858114.db2.gz PXQSYMWPJWSSBA-UHFFFAOYSA-N 0 1 291.345 3.698 20 0 CHADMN Cc1ccccc1[C@H](CO)N[C@H](C)c1cc2cnccc2o1 ZINC000657899036 1119619501 /nfs/dbraw/zinc/61/95/01/1119619501.db2.gz UGDUHWPDMXHMSF-CJNGLKHVSA-N 0 1 296.370 3.520 20 0 CHADMN Cc1ccccc1[C@H](CO)N[C@@H](C)c1cc2cnccc2o1 ZINC000657899035 1119619710 /nfs/dbraw/zinc/61/97/10/1119619710.db2.gz UGDUHWPDMXHMSF-BBRMVZONSA-N 0 1 296.370 3.520 20 0 CHADMN CCCCN(CC(=O)Nc1cccc(SC)c1)C1CC1 ZINC000046602775 1119620215 /nfs/dbraw/zinc/62/02/15/1119620215.db2.gz RWXLEIYSPCCTHB-UHFFFAOYSA-N 0 1 292.448 3.612 20 0 CHADMN CCOC(=O)[C@H](CC)N1CCC[C@H]1c1ccc(C)s1 ZINC000444161584 1119622137 /nfs/dbraw/zinc/62/21/37/1119622137.db2.gz RNJRXDFSHLSJDZ-STQMWFEESA-N 0 1 281.421 3.535 20 0 CHADMN Cc1ccc([C@H](C)NCc2cccc(C)n2)c(C)c1 ZINC000051574106 1119622915 /nfs/dbraw/zinc/62/29/15/1119622915.db2.gz MFNCMVWKTDPUFU-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN Cc1cc(CN2CCC[C@H]3C[C@H]32)cc(C(F)(F)F)c1 ZINC001143458566 1119624294 /nfs/dbraw/zinc/62/42/94/1119624294.db2.gz PTKRVMSHZKFTJD-GXTWGEPZSA-N 0 1 269.310 3.998 20 0 CHADMN CCc1cccc(NC(=O)c2cccc3cn[nH]c32)c1CC ZINC000508751140 1119629342 /nfs/dbraw/zinc/62/93/42/1119629342.db2.gz ZHHUNWXZODORLS-UHFFFAOYSA-N 0 1 293.370 3.940 20 0 CHADMN COCCN(Cc1oc(C)nc1C)[C@H](C)c1ccccc1 ZINC000685562069 1119630344 /nfs/dbraw/zinc/63/03/44/1119630344.db2.gz WRKWOEKREDVJOZ-CQSZACIVSA-N 0 1 288.391 3.501 20 0 CHADMN Cc1nc(C)c(CN(C)[C@@H]2CCCc3ccccc32)o1 ZINC000685560682 1119630783 /nfs/dbraw/zinc/63/07/83/1119630783.db2.gz ZULXSTZWTSHRRL-MRXNPFEDSA-N 0 1 270.376 3.801 20 0 CHADMN Cc1nc(C)c(CN(Cc2ccccc2C)C2CC2)o1 ZINC000685561767 1119630819 /nfs/dbraw/zinc/63/08/19/1119630819.db2.gz URIAABKDSXYCGS-UHFFFAOYSA-N 0 1 270.376 3.764 20 0 CHADMN Cc1nc(C)c(CN[C@]2(C)CCCc3ccccc32)o1 ZINC000685568201 1119631826 /nfs/dbraw/zinc/63/18/26/1119631826.db2.gz KHYBAACJTQIJQF-QGZVFWFLSA-N 0 1 270.376 3.633 20 0 CHADMN Cc1nc(C)c(CN[C@@]2(C)CCCc3ccccc32)o1 ZINC000685568200 1119631830 /nfs/dbraw/zinc/63/18/30/1119631830.db2.gz KHYBAACJTQIJQF-KRWDZBQOSA-N 0 1 270.376 3.633 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2s1 ZINC000685573876 1119633383 /nfs/dbraw/zinc/63/33/83/1119633383.db2.gz OMMNETSDIXMFDI-BETUJISGSA-N 0 1 271.385 3.597 20 0 CHADMN Cc1nc(C)c(CN2CCC(F)(c3ccccc3)CC2)o1 ZINC000685580107 1119633927 /nfs/dbraw/zinc/63/39/27/1119633927.db2.gz IMDFHNRDCNBEOR-UHFFFAOYSA-N 0 1 288.366 3.752 20 0 CHADMN Cc1cc(F)ccc1CN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000685587452 1119635026 /nfs/dbraw/zinc/63/50/26/1119635026.db2.gz BOOXNXXLLZBVAJ-HOTGVXAUSA-N 0 1 277.383 3.524 20 0 CHADMN Cc1cn[nH]c1CNc1ccccc1Cc1ccccc1 ZINC000685618621 1119639299 /nfs/dbraw/zinc/63/92/99/1119639299.db2.gz IOAREJHKNFIQEO-UHFFFAOYSA-N 0 1 277.371 3.921 20 0 CHADMN Cc1cn[nH]c1CNc1cc(Cl)cc2cccnc21 ZINC000685618452 1119639380 /nfs/dbraw/zinc/63/93/80/1119639380.db2.gz FLRQXFXQUVINQN-UHFFFAOYSA-N 0 1 272.739 3.532 20 0 CHADMN CC[C@H](N[C@H]1CCCn2nccc21)c1cc(F)ccc1F ZINC000657920548 1119641101 /nfs/dbraw/zinc/64/11/01/1119641101.db2.gz HONSZIZUGMNFJU-GJZGRUSLSA-N 0 1 291.345 3.737 20 0 CHADMN C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cc2ccncc2s1 ZINC000657925844 1119642330 /nfs/dbraw/zinc/64/23/30/1119642330.db2.gz POSZESHOIGMWAG-GXFFZTMASA-N 0 1 298.415 3.748 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c[nH]nc21)c1cc2ccncc2s1 ZINC000657925844 1119642332 /nfs/dbraw/zinc/64/23/32/1119642332.db2.gz POSZESHOIGMWAG-GXFFZTMASA-N 0 1 298.415 3.748 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2ccsc2)cc1O ZINC000685654514 1119645947 /nfs/dbraw/zinc/64/59/47/1119645947.db2.gz KPGXYGFBTZUSON-WDEREUQCSA-N 0 1 277.389 3.874 20 0 CHADMN CC[C@@H](NCc1ccc2sccc2c1)c1ccn(C)n1 ZINC000685657158 1119647284 /nfs/dbraw/zinc/64/72/84/1119647284.db2.gz MRLXAJYJGKMMBC-CQSZACIVSA-N 0 1 285.416 3.876 20 0 CHADMN Cc1nc(C)c(CNCc2cc3ccccc3s2)o1 ZINC000628233255 1119657740 /nfs/dbraw/zinc/65/77/40/1119657740.db2.gz RDISKUMQYKCAOM-UHFFFAOYSA-N 0 1 272.373 3.796 20 0 CHADMN CC(C)OCCCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000186529525 1119658233 /nfs/dbraw/zinc/65/82/33/1119658233.db2.gz ZHRRHFIQBKDBNZ-GFCCVEGCSA-N 0 1 285.815 3.901 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1cccc(Br)n1 ZINC000309735537 1119659075 /nfs/dbraw/zinc/65/90/75/1119659075.db2.gz GJNUHGSOXNLEES-JQWIXIFHSA-N 0 1 283.213 3.607 20 0 CHADMN CC[C@H](C)c1cccc(NC(=O)[C@@H](C)Cc2cnc[nH]2)c1 ZINC000628430676 1128860936 /nfs/dbraw/zinc/86/09/36/1128860936.db2.gz FFZQUTKLSZRFQG-STQMWFEESA-N 0 1 285.391 3.741 20 0 CHADMN C[C@@H](NCc1cccnc1N1CCCC1)c1ccccc1 ZINC000658102016 1119685523 /nfs/dbraw/zinc/68/55/23/1119685523.db2.gz UDVYYBIYPWQAKB-OAHLLOKOSA-N 0 1 281.403 3.533 20 0 CHADMN COc1cccc(OC)c1CN[C@H](c1ccccc1)C1CC1 ZINC000658118389 1119688053 /nfs/dbraw/zinc/68/80/53/1119688053.db2.gz FIZJAIOLNNDLNH-LJQANCHMSA-N 0 1 297.398 3.945 20 0 CHADMN Cn1ccc(CN2CCc3cc(C(F)(F)F)ccc3C2)c1 ZINC000628460297 1128862719 /nfs/dbraw/zinc/86/27/19/1128862719.db2.gz QAYZABDTXWWIHM-UHFFFAOYSA-N 0 1 294.320 3.602 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000381010746 1128863276 /nfs/dbraw/zinc/86/32/76/1128863276.db2.gz JYWHVTCFSVIXGE-NFAWXSAZSA-N 0 1 255.365 3.548 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H]2CCc3ccc(O)cc32)o1 ZINC000658234513 1119712326 /nfs/dbraw/zinc/71/23/26/1119712326.db2.gz AQFYQTCVJDUJIH-BDJLRTHQSA-N 0 1 271.360 3.886 20 0 CHADMN CCC[C@@H](NCc1c(C2CCC2)cnn1C)c1cccnc1 ZINC000658268774 1119714510 /nfs/dbraw/zinc/71/45/10/1119714510.db2.gz RCASCUOLHGZRRE-QGZVFWFLSA-N 0 1 298.434 3.714 20 0 CHADMN Cc1cc([C@H](C)NCc2c(C3CCC3)cnn2C)c(C)o1 ZINC000658269571 1119716065 /nfs/dbraw/zinc/71/60/65/1119716065.db2.gz VPXMKOXGDBVBLJ-LBPRGKRZSA-N 0 1 287.407 3.748 20 0 CHADMN Cc1cncc([C@H](C)N[C@@H](c2ccccc2)[C@H](O)C(C)C)c1 ZINC000658288109 1119718540 /nfs/dbraw/zinc/71/85/40/1119718540.db2.gz MXKIYYPKZYRDEH-ZYSHUDEJSA-N 0 1 298.430 3.799 20 0 CHADMN C[C@@H](NC1CC2(C1)CCCCC2)c1cscn1 ZINC000658292607 1119719551 /nfs/dbraw/zinc/71/95/51/1119719551.db2.gz AHGNCTSFQFUZBS-LLVKDONJSA-N 0 1 250.411 3.907 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2c(C)cccc21)c1ccn(C)n1 ZINC000658339262 1119727222 /nfs/dbraw/zinc/72/72/22/1119727222.db2.gz RPEUHQDBWIPGED-IAGOWNOFSA-N 0 1 283.419 3.847 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c3ccccc3[nH]c21)c1nccn1C ZINC000658337744 1119727528 /nfs/dbraw/zinc/72/75/28/1119727528.db2.gz GINRBLNGHFYSAK-WBMJQRKESA-N 0 1 294.402 3.630 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2c(C)cccc21)c1nccn1C ZINC000658338539 1119727664 /nfs/dbraw/zinc/72/76/64/1119727664.db2.gz LKKHIYZHCOUMEY-DLBZAZTESA-N 0 1 283.419 3.847 20 0 CHADMN CO[C@@]1(C)C[C@H]1N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000658332260 1119728025 /nfs/dbraw/zinc/72/80/25/1119728025.db2.gz PZVBVGSRABVOMD-XFJVYGCCSA-N 0 1 288.416 3.638 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@H](c1ccccc1)[C@@H](C)O ZINC000658359128 1119730360 /nfs/dbraw/zinc/73/03/60/1119730360.db2.gz AHAWHIZSHTYIAC-KHYOSLBOSA-N 0 1 299.414 3.776 20 0 CHADMN C[C@H](O)[C@H](N[C@@H](C)c1ccsc1)c1ccccc1 ZINC000658361222 1119731779 /nfs/dbraw/zinc/73/17/79/1119731779.db2.gz LDQDQEGSUWDRMU-HUBLWGQQSA-N 0 1 261.390 3.521 20 0 CHADMN C[C@H](O)[C@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000658359669 1119731789 /nfs/dbraw/zinc/73/17/89/1119731789.db2.gz DYJQXSVDFHSNFW-PRXAMGSTSA-N 0 1 291.341 3.738 20 0 CHADMN COc1cccc(Cl)c1CN1CCC[C@H](F)CC1 ZINC001140725605 1119736078 /nfs/dbraw/zinc/73/60/78/1119736078.db2.gz DQJQLNYCHGOYMQ-NSHDSACASA-N 0 1 271.763 3.673 20 0 CHADMN Fc1ccc(CN2CC(Cc3cccs3)C2)cc1 ZINC000628478837 1128865565 /nfs/dbraw/zinc/86/55/65/1128865565.db2.gz RFYHTNGLLGKGFQ-UHFFFAOYSA-N 0 1 261.365 3.562 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)c1ccnnc1 ZINC000924530557 1119739921 /nfs/dbraw/zinc/73/99/21/1119739921.db2.gz ICJIBKAKGSQGEE-QWRGUYRKSA-N 0 1 295.308 3.907 20 0 CHADMN CCc1ccccc1CNCc1cc(F)c(F)cc1F ZINC000225286626 1119740410 /nfs/dbraw/zinc/74/04/10/1119740410.db2.gz WDWGSRKZGOCWGF-UHFFFAOYSA-N 0 1 279.305 3.956 20 0 CHADMN Cc1cc(CNCc2c(C)oc3ccccc32)sn1 ZINC000404320969 1119751310 /nfs/dbraw/zinc/75/13/10/1119751310.db2.gz JEQWPMIHQUQLKI-UHFFFAOYSA-N 0 1 272.373 3.796 20 0 CHADMN Cc1cc(CNCc2ccc(OC(C)C)cc2)sn1 ZINC000404405336 1119752353 /nfs/dbraw/zinc/75/23/53/1119752353.db2.gz ULWOALUUUDSBHN-UHFFFAOYSA-N 0 1 276.405 3.529 20 0 CHADMN Cc1cc(CN[C@H]2CCSc3c(F)cccc32)sn1 ZINC000404371168 1119752547 /nfs/dbraw/zinc/75/25/47/1119752547.db2.gz IYRKGJDNOVGQBK-ZDUSSCGKSA-N 0 1 294.420 3.917 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(OC(F)F)cc2)sn1 ZINC000404406642 1119752666 /nfs/dbraw/zinc/75/26/66/1119752666.db2.gz VNQCDKAXTMNJPT-JTQLQIEISA-N 0 1 298.358 3.904 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2c3ccccc3CC[C@@H]2C)o1 ZINC000628231369 1119755650 /nfs/dbraw/zinc/75/56/50/1119755650.db2.gz MHCCKSTYGDEGIV-GTNSWQLSSA-N 0 1 270.376 3.705 20 0 CHADMN CC(C)(C)C[C@@H](N[C@H]1CCCc2[nH]ncc21)C(F)(F)F ZINC000375842546 1119768099 /nfs/dbraw/zinc/76/80/99/1119768099.db2.gz VZSVEFSZFSLXJL-CMPLNLGQSA-N 0 1 289.345 3.744 20 0 CHADMN CC[C@H]1C[N@@H+](C[C@H](OC)c2ccc(Cl)cc2)CCS1 ZINC000548918787 1119776418 /nfs/dbraw/zinc/77/64/18/1119776418.db2.gz AAFYPWRZNITYIP-GJZGRUSLSA-N 0 1 299.867 3.855 20 0 CHADMN Cc1nc(C)c(CNc2ccc(CN(C)C)c(Cl)c2)o1 ZINC000628256141 1119787217 /nfs/dbraw/zinc/78/72/17/1119787217.db2.gz KVSAHGUCEUMHAU-UHFFFAOYSA-N 0 1 293.798 3.619 20 0 CHADMN CCOc1cccc(Cl)c1CN1CC[C@@H](OC)[C@@H](C)C1 ZINC000569985820 1119788505 /nfs/dbraw/zinc/78/85/05/1119788505.db2.gz JUYFDKOQZFWETI-SWLSCSKDSA-N 0 1 297.826 3.596 20 0 CHADMN c1cc([C@H]2CCCCN2Cc2ccc3[nH]ccc3c2)n[nH]1 ZINC000628271574 1119797362 /nfs/dbraw/zinc/79/73/62/1119797362.db2.gz HUCLUIOWRDBQOO-QGZVFWFLSA-N 0 1 280.375 3.618 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cccc3c2OCO3)cc1 ZINC000924548587 1119798428 /nfs/dbraw/zinc/79/84/28/1119798428.db2.gz IRYNVTYBWHWGRQ-CYBMUJFWSA-N 0 1 269.344 3.575 20 0 CHADMN C[N@@H+](CCCCCC(=O)[O-])CCC1CCCCC1 ZINC000570220265 1119811725 /nfs/dbraw/zinc/81/17/25/1119811725.db2.gz QXFMCPHAXRIWNF-UHFFFAOYSA-N 0 1 255.402 3.534 20 0 CHADMN FC(F)(F)c1nc(CNCCc2ccsc2)cs1 ZINC000892510194 1119816061 /nfs/dbraw/zinc/81/60/61/1119816061.db2.gz UBCMGFQETOPFRK-UHFFFAOYSA-N 0 1 292.351 3.556 20 0 CHADMN CO[C@@H](C)CNCc1c(Cl)ccc(Cl)c1Cl ZINC000223981258 1119817150 /nfs/dbraw/zinc/81/71/50/1119817150.db2.gz FXTYQFLPAGLLRV-ZETCQYMHSA-N 0 1 282.598 3.771 20 0 CHADMN Cc1nc(C)c(CN2CC(c3ccccc3)(C(C)C)C2)o1 ZINC000628311803 1119817483 /nfs/dbraw/zinc/81/74/83/1119817483.db2.gz AHPMQFUHBRNMTI-UHFFFAOYSA-N 0 1 284.403 3.701 20 0 CHADMN CC(C)(C(=O)NOC1CCCCC1)c1cccc(Cl)c1 ZINC000779323660 1128871823 /nfs/dbraw/zinc/87/18/23/1128871823.db2.gz RELTYQALFQWIJW-UHFFFAOYSA-N 0 1 295.810 3.998 20 0 CHADMN C[C@@H](CO)[C@@H](C)NCc1c(Cl)ccc(Cl)c1Cl ZINC000134976671 1128871824 /nfs/dbraw/zinc/87/18/24/1128871824.db2.gz DZADIGCXKKVZTC-JGVFFNPUSA-N 0 1 296.625 3.753 20 0 CHADMN Cc1nn(C)c(Cl)c1CN1CCC[C@H]1c1ccccc1 ZINC000066155386 1119833782 /nfs/dbraw/zinc/83/37/82/1119833782.db2.gz DBZVIYWKVGKTPJ-HNNXBMFYSA-N 0 1 289.810 3.719 20 0 CHADMN Cc1nccc(NCc2ncc(Cl)s2)c1Cl ZINC000309862414 1119838923 /nfs/dbraw/zinc/83/89/23/1119838923.db2.gz NDISCSCHWHSACT-UHFFFAOYSA-N 0 1 274.176 3.765 20 0 CHADMN Cc1nc([C@@H](C)NCC2(c3ccccn3)CCC2)cs1 ZINC000376135835 1119842854 /nfs/dbraw/zinc/84/28/54/1119842854.db2.gz ZNRILJKMZYRCID-GFCCVEGCSA-N 0 1 287.432 3.619 20 0 CHADMN CCOC(=O)[C@@H](CC)N1CCC(C2CCCCC2)CC1 ZINC000708784648 1119842861 /nfs/dbraw/zinc/84/28/61/1119842861.db2.gz OFYPYISEAYEDKY-MRXNPFEDSA-N 0 1 281.440 3.620 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@H]1COc3ccc(C)cc31)CC2 ZINC000376153073 1119847147 /nfs/dbraw/zinc/84/71/47/1119847147.db2.gz UWHGSJPZRJAYDA-ROUUACIJSA-N 0 1 295.382 3.714 20 0 CHADMN C[C@@H](N[C@H]1CCCc2c(Cl)ccnc21)c1cccnc1 ZINC000924564959 1119860952 /nfs/dbraw/zinc/86/09/52/1119860952.db2.gz QKCVFRVSXRKXFU-ABAIWWIYSA-N 0 1 287.794 3.858 20 0 CHADMN CC[C@@H](C)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c1 ZINC000636253449 1119863088 /nfs/dbraw/zinc/86/30/88/1119863088.db2.gz RCBKFRVCYFMIQO-KCPJHIHWSA-N 0 1 283.375 3.665 20 0 CHADMN Cc1cn[nH]c1CN1C[C@H](c2ccccc2)c2ccccc21 ZINC000685844969 1119864936 /nfs/dbraw/zinc/86/49/36/1119864936.db2.gz NXTGLRXUSFQXGO-QGZVFWFLSA-N 0 1 289.382 3.870 20 0 CHADMN CC[C@H](N[C@@H](C)c1cc2n(n1)CCC2)c1ccc(C)cc1 ZINC000414050309 1119866805 /nfs/dbraw/zinc/86/68/05/1119866805.db2.gz HJAKRWCUDGIREE-YOEHRIQHSA-N 0 1 283.419 3.940 20 0 CHADMN CC1(C)C[N@@H+](Cc2nccc3ccccc32)[C@H]1[C@H]1CCCO1 ZINC000685849607 1119869501 /nfs/dbraw/zinc/86/95/01/1119869501.db2.gz QOKFHBWDTISHAQ-MSOLQXFVSA-N 0 1 296.414 3.624 20 0 CHADMN CC1(C)C[N@@H+](Cc2nccc3ccccc32)[C@@H]1[C@@H]1CCCO1 ZINC000685849610 1119869535 /nfs/dbraw/zinc/86/95/35/1119869535.db2.gz QOKFHBWDTISHAQ-ZWKOTPCHSA-N 0 1 296.414 3.624 20 0 CHADMN CC(C)(C)C[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000565250789 1119879463 /nfs/dbraw/zinc/87/94/63/1119879463.db2.gz PYNSTCXEYUEPAO-CYBMUJFWSA-N 0 1 293.382 3.925 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H](C)c2cc3n(n2)CCC3)c1C ZINC000414080186 1119886346 /nfs/dbraw/zinc/88/63/46/1119886346.db2.gz CZECMJILZRMTHO-GJZGRUSLSA-N 0 1 283.419 3.858 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@H](C)c2cc3n(n2)CCC3)c1 ZINC000414129838 1119909613 /nfs/dbraw/zinc/90/96/13/1119909613.db2.gz VMKRCXZVSINGFP-LSDHHAIUSA-N 0 1 283.419 3.858 20 0 CHADMN Cc1ccccc1[C@@H](N[C@@H](C)c1ccn(C)n1)C1CC1 ZINC000414132670 1119910389 /nfs/dbraw/zinc/91/03/89/1119910389.db2.gz ZMDRRXGJBURIKU-GUYCJALGSA-N 0 1 269.392 3.530 20 0 CHADMN Cc1ccccc1[C@H](N[C@H](C)c1ccn(C)n1)C1CC1 ZINC000414132668 1119910441 /nfs/dbraw/zinc/91/04/41/1119910441.db2.gz ZMDRRXGJBURIKU-CXAGYDPISA-N 0 1 269.392 3.530 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000414142500 1119915488 /nfs/dbraw/zinc/91/54/88/1119915488.db2.gz HXYFJCGOJHYQCW-BFHYXJOUSA-N 0 1 293.455 3.536 20 0 CHADMN C[C@@H]1CCN(Cc2nc(C(C)(C)C)no2)[C@H]2CCCC[C@@H]12 ZINC000613416034 1119919022 /nfs/dbraw/zinc/91/90/22/1119919022.db2.gz PNKCZNJMTPWYOV-RDBSUJKOSA-N 0 1 291.439 3.768 20 0 CHADMN CC(C)C[C@@H]1C[C@H]1N[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000414165506 1119922991 /nfs/dbraw/zinc/92/29/91/1119922991.db2.gz CHCQXGQEZXTHLS-KYJSFNMBSA-N 0 1 299.393 3.729 20 0 CHADMN C[C@@H](N[C@@H]1CC[C@@H](C)c2ccsc21)c1ccn(C)n1 ZINC000414169666 1119925087 /nfs/dbraw/zinc/92/50/87/1119925087.db2.gz BIKKZXBOFNREJT-JTNHKYCSSA-N 0 1 275.421 3.771 20 0 CHADMN CCC[C@H](N[C@@H](C)c1ccn(C)n1)c1ccc(OC)cc1 ZINC000414192839 1119932936 /nfs/dbraw/zinc/93/29/36/1119932936.db2.gz TVQDMSJOWIXQTH-GUYCJALGSA-N 0 1 287.407 3.621 20 0 CHADMN CCCc1noc(CN(C2CC2)C2CCC(CC)CC2)n1 ZINC000613470732 1119933574 /nfs/dbraw/zinc/93/35/74/1119933574.db2.gz AIHZDOWLGRJHOP-UHFFFAOYSA-N 0 1 291.439 3.955 20 0 CHADMN CCOCc1ccc(CNCc2ccc(OCC)o2)cc1 ZINC000892555126 1119936239 /nfs/dbraw/zinc/93/62/39/1119936239.db2.gz PTBRBVHJMAEKCS-UHFFFAOYSA-N 0 1 289.375 3.505 20 0 CHADMN CCn1ccc(CN[C@H]2CCCc3c4ccccc4[nH]c32)n1 ZINC000414204201 1119937788 /nfs/dbraw/zinc/93/77/88/1119937788.db2.gz FSENCBRXNJZMRA-KRWDZBQOSA-N 0 1 294.402 3.552 20 0 CHADMN CCn1ccc(CN[C@@H]2CC[C@@H](C)c3ccccc32)n1 ZINC000414207891 1119940455 /nfs/dbraw/zinc/94/04/55/1119940455.db2.gz KSYSBOSOTMGCCZ-CXAGYDPISA-N 0 1 269.392 3.631 20 0 CHADMN Fc1cccc(CN2CC[C@@H](Nc3ccccc3)C2)c1F ZINC000170688787 1119941937 /nfs/dbraw/zinc/94/19/37/1119941937.db2.gz KNYKYROGRZUHNM-OAHLLOKOSA-N 0 1 288.341 3.651 20 0 CHADMN CC[C@H](NCc1cnc(F)cc1C)c1ccccc1OC ZINC000892560399 1119942384 /nfs/dbraw/zinc/94/23/84/1119942384.db2.gz GXOUWAOPRMSFAF-HNNXBMFYSA-N 0 1 288.366 3.779 20 0 CHADMN CC[C@@H](N[C@@H]1C[C@H](C)n2ccnc21)c1ccccc1 ZINC000414225638 1119946393 /nfs/dbraw/zinc/94/63/93/1119946393.db2.gz SKWZTWSXOBBDGE-NWANDNLSSA-N 0 1 255.365 3.630 20 0 CHADMN C[C@@H](CC1CCCC1)NCc1nccc(C(F)(F)F)n1 ZINC000414230596 1119948189 /nfs/dbraw/zinc/94/81/89/1119948189.db2.gz AZHFZHHSPQYHNU-JTQLQIEISA-N 0 1 287.329 3.554 20 0 CHADMN CC[C@@H]1CCC[C@H](NCc2nccc(C(F)(F)F)n2)C1 ZINC000414240539 1119952686 /nfs/dbraw/zinc/95/26/86/1119952686.db2.gz MBANRQZYMOBGSR-MNOVXSKESA-N 0 1 287.329 3.554 20 0 CHADMN CC[C@H](c1ccc(Br)cc1)N1CC[C@H](OC)C1 ZINC000472577783 1119971684 /nfs/dbraw/zinc/97/16/84/1119971684.db2.gz CMQYPCATLGHDGZ-UONOGXRCSA-N 0 1 298.224 3.621 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N[C@H](C)c1csnn1 ZINC000414304611 1119974691 /nfs/dbraw/zinc/97/46/91/1119974691.db2.gz OZHKYVQGQJSUMP-TZMCWYRMSA-N 0 1 275.421 3.518 20 0 CHADMN CCn1ccnc1NCc1ccccc1OCC(C)C ZINC000414308341 1119975740 /nfs/dbraw/zinc/97/57/40/1119975740.db2.gz WHZSVAUQNXQWHF-UHFFFAOYSA-N 0 1 273.380 3.550 20 0 CHADMN CCC[C@@H](CCc1ccccc1)N[C@@H](C)c1csnn1 ZINC000414308096 1119975955 /nfs/dbraw/zinc/97/59/55/1119975955.db2.gz SHTOBPCRTNMCPM-ZFWWWQNUSA-N 0 1 289.448 3.990 20 0 CHADMN Cc1ccccc1C(NCc1cnc[nH]1)c1ccccc1C ZINC000186278241 1119984066 /nfs/dbraw/zinc/98/40/66/1119984066.db2.gz VJRNENJCWAAARR-UHFFFAOYSA-N 0 1 291.398 3.906 20 0 CHADMN CCC(C)(C)[C@H](C)NCc1nnc(C(C)C)s1 ZINC000584511651 1119993089 /nfs/dbraw/zinc/99/30/89/1119993089.db2.gz YRPNXWHFCBXGKC-JTQLQIEISA-N 0 1 255.431 3.576 20 0 CHADMN COc1ccc(CN2CCC3(CC3)C2)c(C(F)(F)F)c1 ZINC001143472325 1119994781 /nfs/dbraw/zinc/99/47/81/1119994781.db2.gz CZCJAJICNSOBNU-UHFFFAOYSA-N 0 1 285.309 3.700 20 0 CHADMN Cc1ccccc1[C@H](C)N[C@H](CO)c1cccc(F)c1 ZINC000537981425 1119996276 /nfs/dbraw/zinc/99/62/76/1119996276.db2.gz KWZNDCIWDAWHDU-SUMWQHHRSA-N 0 1 273.351 3.518 20 0 CHADMN ClC1(Cl)C[C@@H]1CNCc1coc(-c2ccccc2)n1 ZINC000779340214 1128883377 /nfs/dbraw/zinc/88/33/77/1128883377.db2.gz HNUCZULLCIPHPO-LLVKDONJSA-N 0 1 297.185 3.625 20 0 CHADMN Cc1ccc(CN[C@H](c2ccccc2C)C(C)(C)C)nn1 ZINC000414373573 1120005520 /nfs/dbraw/zinc/00/55/20/1120005520.db2.gz ZKPLJUIWRTXUNK-QGZVFWFLSA-N 0 1 283.419 3.970 20 0 CHADMN COc1ccc(CN2C3CCC2CC3)c(C(F)(F)F)c1 ZINC001143478415 1120019731 /nfs/dbraw/zinc/01/97/31/1120019731.db2.gz CQHAOFRTEAEVBN-UHFFFAOYSA-N 0 1 285.309 3.841 20 0 CHADMN CC(C)CCN1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000376506583 1120020046 /nfs/dbraw/zinc/02/00/46/1120020046.db2.gz LXCQRMIVLHZZLS-CQSZACIVSA-N 0 1 277.412 3.910 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1cccc(F)c1 ZINC000642604211 1120022166 /nfs/dbraw/zinc/02/21/66/1120022166.db2.gz VXDMIFAYRAKHFH-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN COc1ccc(CN2C[C@H]3CC[C@@H]2C3)c(C(F)(F)F)c1 ZINC001143478984 1120023740 /nfs/dbraw/zinc/02/37/40/1120023740.db2.gz NXDJHDAIVSDPOM-CMPLNLGQSA-N 0 1 285.309 3.698 20 0 CHADMN Fc1cc(CNc2nccn2C2CC2)ccc1OC(F)F ZINC000840886737 1120026458 /nfs/dbraw/zinc/02/64/58/1120026458.db2.gz AESANEKLUJRORL-UHFFFAOYSA-N 0 1 297.280 3.571 20 0 CHADMN Brc1cccc(CN2CCC[C@H]3CCC[C@@H]32)n1 ZINC000272452002 1120044514 /nfs/dbraw/zinc/04/45/14/1120044514.db2.gz WEBSYZVMGWDVEM-YPMHNXCESA-N 0 1 295.224 3.609 20 0 CHADMN CSc1ccc(CNCc2cnc(F)c(C)c2)cc1 ZINC000892675107 1120046741 /nfs/dbraw/zinc/04/67/41/1120046741.db2.gz VAUSNKMINRTHOQ-UHFFFAOYSA-N 0 1 276.380 3.541 20 0 CHADMN CC[C@H](C)[C@H](C)NCc1csc(C(F)(F)F)n1 ZINC000892675875 1120049914 /nfs/dbraw/zinc/04/99/14/1120049914.db2.gz GBDGANVQTCWZTG-YUMQZZPRSA-N 0 1 266.332 3.686 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1ccc2c(c1)CCC2 ZINC000090986146 1120050637 /nfs/dbraw/zinc/05/06/37/1120050637.db2.gz AIDKWKFLRMJAJB-LLVKDONJSA-N 0 1 270.376 3.631 20 0 CHADMN Cc1noc(C)c1[C@H](C)NCc1ccc2c(c1)CCC2 ZINC000090986147 1120050675 /nfs/dbraw/zinc/05/06/75/1120050675.db2.gz AIDKWKFLRMJAJB-NSHDSACASA-N 0 1 270.376 3.631 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc(Cl)c(F)c3)c2c1 ZINC000094660841 1120053561 /nfs/dbraw/zinc/05/35/61/1120053561.db2.gz RBIZNPDJNOPPKK-UHFFFAOYSA-N 0 1 275.714 3.709 20 0 CHADMN Cc1ccc2nc(N)n(-c3cc(C)cc(C)c3)c2c1 ZINC000094660702 1120054053 /nfs/dbraw/zinc/05/40/53/1120054053.db2.gz RCLSMBVLGHIXKO-UHFFFAOYSA-N 0 1 251.333 3.533 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1NCc1noc2c1CCCC2 ZINC000189493752 1120056729 /nfs/dbraw/zinc/05/67/29/1120056729.db2.gz ITJPBRATTJZJEZ-CZUORRHYSA-N 0 1 294.464 3.707 20 0 CHADMN CC(=CC(=O)Nc1ccc(-c2nc(C)c(C)[nH]2)cc1)C1CC1 ZINC000921666332 1120062081 /nfs/dbraw/zinc/06/20/81/1120062081.db2.gz ZMEKWHYCRHSCFC-KHPPLWFESA-N 0 1 295.386 3.988 20 0 CHADMN CCn1cc(CN[C@H]2CCc3c2cccc3Cl)c(C)n1 ZINC000892680868 1120063799 /nfs/dbraw/zinc/06/37/99/1120063799.db2.gz VHPGKVKAXBDESF-INIZCTEOSA-N 0 1 289.810 3.642 20 0 CHADMN CCOc1ccc(CN[C@@H]2CCc3c2cccc3F)o1 ZINC000892681152 1120064297 /nfs/dbraw/zinc/06/42/97/1120064297.db2.gz WGFIPRPICKMLEA-OAHLLOKOSA-N 0 1 275.323 3.595 20 0 CHADMN Cc1cccc2nc(CNC(=O)[C@@H]3C[C@H]3CC(C)(C)C)[nH]c21 ZINC000648340521 1120074082 /nfs/dbraw/zinc/07/40/82/1120074082.db2.gz NDIGJEJNHCBABA-QWHCGFSZSA-N 0 1 299.418 3.560 20 0 CHADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)CC1CCCCC1 ZINC000091781216 1120076426 /nfs/dbraw/zinc/07/64/26/1120076426.db2.gz LNIZBFPILNKQQN-NSHDSACASA-N 0 1 265.353 3.551 20 0 CHADMN CCC1CCN(Cc2cc(Cl)cc(C(=O)OC)c2)CC1 ZINC001236762472 1128888973 /nfs/dbraw/zinc/88/89/73/1128888973.db2.gz HIHMEVFCVAJUHD-UHFFFAOYSA-N 0 1 295.810 3.749 20 0 CHADMN CCC(CC)c1noc(-c2ccc3[nH]cnc3c2)n1 ZINC000923882569 1120085321 /nfs/dbraw/zinc/08/53/21/1120085321.db2.gz PGWWOAARSICYJJ-UHFFFAOYSA-N 0 1 256.309 3.517 20 0 CHADMN Cc1cccc(NC(=O)CCc2nc3cccc(C)c3[nH]2)c1 ZINC000178847996 1120086119 /nfs/dbraw/zinc/08/61/19/1120086119.db2.gz MXCADLGCTSWIRR-UHFFFAOYSA-N 0 1 293.370 3.751 20 0 CHADMN COc1nn(C)cc1CN[C@@H](C)c1ccc(C2CCC2)cc1 ZINC000903346430 1120086386 /nfs/dbraw/zinc/08/63/86/1120086386.db2.gz SVUKYYQFNNKTAY-ZDUSSCGKSA-N 0 1 299.418 3.547 20 0 CHADMN CCC[C@@H]1CCCCN1Cc1cnn(C)c1C(F)(F)F ZINC000179521613 1120093747 /nfs/dbraw/zinc/09/37/47/1120093747.db2.gz BPMJHCUHPZVJIJ-GFCCVEGCSA-N 0 1 289.345 3.594 20 0 CHADMN CC(C)(C)C[C@H](O)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000180566440 1120100790 /nfs/dbraw/zinc/10/07/90/1120100790.db2.gz PUXXXAXHAZJSFO-WMZOPIPTSA-N 0 1 298.430 3.558 20 0 CHADMN CCc1ccc(C)[nH+]c1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211647673 1120102342 /nfs/dbraw/zinc/10/23/42/1120102342.db2.gz CAAFBTJPGLFSDZ-UHFFFAOYSA-N 0 1 270.332 3.703 20 0 CHADMN C[C@@H](NCc1cnc(Cl)s1)c1ccccc1 ZINC000181377796 1120102875 /nfs/dbraw/zinc/10/28/75/1120102875.db2.gz JKDAYIQZDKDBAO-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN COc1ccc2c(c1)[C@H](NC/C=C\Cl)CCS2 ZINC000903443083 1120108072 /nfs/dbraw/zinc/10/80/72/1120108072.db2.gz BGFHGEMUFWBVQW-DBGMKRSLSA-N 0 1 269.797 3.574 20 0 CHADMN c1sc(C2CC2)nc1CNC[C@H]1CCC2(CCCC2)O1 ZINC000655864226 1120108200 /nfs/dbraw/zinc/10/82/00/1120108200.db2.gz VPTGFFARGLXAJA-CQSZACIVSA-N 0 1 292.448 3.602 20 0 CHADMN C[C@@H](NCCc1ccc2[nH]ccc2c1)c1cscn1 ZINC000282298486 1120109811 /nfs/dbraw/zinc/10/98/11/1120109811.db2.gz MEKJPTKVOWADAW-LLVKDONJSA-N 0 1 271.389 3.518 20 0 CHADMN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CCCC1CCC1 ZINC000659794028 1120112053 /nfs/dbraw/zinc/11/20/53/1120112053.db2.gz IDJGOKNREDOVNR-IRXDYDNUSA-N 0 1 287.403 3.857 20 0 CHADMN CCCCC[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccc(Cl)cc2)C1 ZINC000659798182 1120112280 /nfs/dbraw/zinc/11/22/80/1120112280.db2.gz XWYHCOCBHRJNOY-CABCVRRESA-N 0 1 295.810 3.630 20 0 CHADMN CCc1nc([C@H](C)N(C)Cc2ccc3ccccc3c2)n[nH]1 ZINC000659820516 1120117624 /nfs/dbraw/zinc/11/76/24/1120117624.db2.gz HKQKXLREUPQTJP-ZDUSSCGKSA-N 0 1 294.402 3.713 20 0 CHADMN CCc1ccc(CN(C)Cc2cccc(Cl)c2)cn1 ZINC000347658841 1120122009 /nfs/dbraw/zinc/12/20/09/1120122009.db2.gz WOXJOQGBSAUDJP-UHFFFAOYSA-N 0 1 274.795 3.929 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2cncc(F)c2)C1 ZINC000353240425 1120122298 /nfs/dbraw/zinc/12/22/98/1120122298.db2.gz XXSGGBYOLLORNR-DYVFJYSZSA-N 0 1 270.351 3.804 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2ccc(Cl)s2)C[C@H]1O ZINC000542705783 1120123233 /nfs/dbraw/zinc/12/32/33/1120123233.db2.gz GHZJDVVIEBBJKY-VXGBXAGGSA-N 0 1 287.856 3.630 20 0 CHADMN CN(CCOc1ccccc1C(F)(F)F)Cc1ccco1 ZINC000215882764 1120127114 /nfs/dbraw/zinc/12/71/14/1120127114.db2.gz JCZSZNYHWFEDTJ-UHFFFAOYSA-N 0 1 299.292 3.809 20 0 CHADMN C[C@@H](NCCCOc1ccc2ccccc2c1)c1ncc[nH]1 ZINC000353392970 1120128293 /nfs/dbraw/zinc/12/82/93/1120128293.db2.gz IHVCEXCMCKJKAR-CQSZACIVSA-N 0 1 295.386 3.683 20 0 CHADMN CCCN(Cc1c(F)c(F)ccc1OCC)CC1CC1 ZINC001143485957 1120130520 /nfs/dbraw/zinc/13/05/20/1120130520.db2.gz RASMZZVIAXKLKW-UHFFFAOYSA-N 0 1 283.362 3.986 20 0 CHADMN CCN(C)c1ccccc1CN[C@@H](C)c1cncc(F)c1 ZINC000765849760 1120132948 /nfs/dbraw/zinc/13/29/48/1120132948.db2.gz PYIIZCZXWISLTB-ZDUSSCGKSA-N 0 1 287.382 3.528 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(C(C)C)cc2)nc(C)n1 ZINC000659833039 1120136320 /nfs/dbraw/zinc/13/63/20/1120136320.db2.gz GVLQKWPZEVYWNV-UHFFFAOYSA-N 0 1 283.419 3.849 20 0 CHADMN CCCCCNC(=O)[C@@H](C)N1CCC[C@@H]1c1cccs1 ZINC000193225418 1120136643 /nfs/dbraw/zinc/13/66/43/1120136643.db2.gz KAAPIOBXBVMNQP-ZIAGYGMSSA-N 0 1 294.464 3.580 20 0 CHADMN C[C@H](O)CC(C)(C)CN[C@@H](c1ccco1)c1ccccc1 ZINC000183778879 1120141610 /nfs/dbraw/zinc/14/16/10/1120141610.db2.gz MNJKRRDKHSWTSD-WMLDXEAASA-N 0 1 287.403 3.756 20 0 CHADMN Cc1oc(C(C)(C)C)cc1CNCc1ccc(O)cc1 ZINC000892785335 1120142374 /nfs/dbraw/zinc/14/23/74/1120142374.db2.gz QCLORJFCLOWMLE-UHFFFAOYSA-N 0 1 273.376 3.881 20 0 CHADMN CC(C)c1cc(C(=O)N(C)CCCCc2ccccc2)n[nH]1 ZINC000056992906 1120144457 /nfs/dbraw/zinc/14/44/57/1120144457.db2.gz BBJCBIPWVHLZHC-UHFFFAOYSA-N 0 1 299.418 3.628 20 0 CHADMN Cc1cc(C)c(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)c(C)c1 ZINC000053300554 1120149892 /nfs/dbraw/zinc/14/98/92/1120149892.db2.gz OHKZBCGSPRCLDP-MRXNPFEDSA-N 0 1 289.419 3.689 20 0 CHADMN COc1ccc(CNC(C)(C)c2ccc(Cl)cc2)o1 ZINC000892861321 1120151697 /nfs/dbraw/zinc/15/16/97/1120151697.db2.gz UIVYEQPHTQHRCD-UHFFFAOYSA-N 0 1 279.767 3.967 20 0 CHADMN Oc1cc(Cl)cc(CNC2(c3ccccc3)CC2)c1 ZINC000892883728 1120156282 /nfs/dbraw/zinc/15/62/82/1120156282.db2.gz DOFQITCCLBQTER-UHFFFAOYSA-N 0 1 273.763 3.825 20 0 CHADMN CCn1cccc1CN(C)Cc1ccccc1N1CCCC1 ZINC000353688897 1120160611 /nfs/dbraw/zinc/16/06/11/1120160611.db2.gz PGSBQFDMMXPJOG-UHFFFAOYSA-N 0 1 297.446 3.740 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@@H](C)c1cccc(F)c1 ZINC000091437168 1120171928 /nfs/dbraw/zinc/17/19/28/1120171928.db2.gz KPTLYUBDMXILRW-UWVGGRQHSA-N 0 1 262.328 3.842 20 0 CHADMN CC(C)(C)c1coc(CNCCCc2cccc(F)c2)n1 ZINC000921719819 1120171973 /nfs/dbraw/zinc/17/19/73/1120171973.db2.gz UUGIDFWNMBJKJG-UHFFFAOYSA-N 0 1 290.382 3.834 20 0 CHADMN c1cnc2c(c1)CCC[C@H]2Nc1cc(OCC2CC2)ccn1 ZINC001168654902 1120174702 /nfs/dbraw/zinc/17/47/02/1120174702.db2.gz HZZMSLCNQRGNFC-MRXNPFEDSA-N 0 1 295.386 3.755 20 0 CHADMN CCCCc1noc([C@H](C)N[C@@H]2Cc3ccccc3[C@@H]2C)n1 ZINC000661519953 1120174830 /nfs/dbraw/zinc/17/48/30/1120174830.db2.gz DZUVNTXCXRGZJU-HEHGZKQESA-N 0 1 299.418 3.791 20 0 CHADMN Cc1nc(CN2CCC[C@H]2c2ccccc2C)c(C)o1 ZINC000659845800 1120177282 /nfs/dbraw/zinc/17/72/82/1120177282.db2.gz BNOYTVGUNPBXOP-KRWDZBQOSA-N 0 1 270.376 3.937 20 0 CHADMN C[C@H]1CCC[C@@H](C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000314253005 1120179489 /nfs/dbraw/zinc/17/94/89/1120179489.db2.gz ZKKZBTTUJKNURI-UONOGXRCSA-N 0 1 287.403 3.569 20 0 CHADMN Cc1cc(-c2nc3nc[nH]c3c(C)n2)cc(C)c1Cl ZINC001205037325 1120187673 /nfs/dbraw/zinc/18/76/73/1120187673.db2.gz PUUNXRJBSUULGI-UHFFFAOYSA-N 0 1 272.739 3.550 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)nc(C)n1 ZINC000659850898 1120191837 /nfs/dbraw/zinc/19/18/37/1120191837.db2.gz WEXSDEICSUHSNK-QGZVFWFLSA-N 0 1 285.366 3.570 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2cccc(F)c2)nc(C)n1 ZINC000659850898 1120191838 /nfs/dbraw/zinc/19/18/38/1120191838.db2.gz WEXSDEICSUHSNK-QGZVFWFLSA-N 0 1 285.366 3.570 20 0 CHADMN CCn1cc(CNC2(c3cccc(Cl)c3)CC2)c(C)n1 ZINC000893008207 1120196472 /nfs/dbraw/zinc/19/64/72/1120196472.db2.gz IEYSBWJEYBTFJF-UHFFFAOYSA-N 0 1 289.810 3.644 20 0 CHADMN CC(C)CC[C@@H]1CCCN1Cc1cn2ccsc2n1 ZINC000362948421 1120196718 /nfs/dbraw/zinc/19/67/18/1120196718.db2.gz HPCSXMMXFRDEJL-AWEZNQCLSA-N 0 1 277.437 3.796 20 0 CHADMN Cc1csc(C(C)(C)NCc2cccc(N(C)C)c2)n1 ZINC000072663012 1120198972 /nfs/dbraw/zinc/19/89/72/1120198972.db2.gz ARKLKMSDOWOVLY-UHFFFAOYSA-N 0 1 289.448 3.542 20 0 CHADMN COc1cccc(CN[C@@H](C)c2cccs2)c1F ZINC000165803668 1120201142 /nfs/dbraw/zinc/20/11/42/1120201142.db2.gz IRQNENQHZLKOHG-JTQLQIEISA-N 0 1 265.353 3.747 20 0 CHADMN Cc1noc(C)c1CN(C)[C@H]1CCCc2ccccc21 ZINC000072801642 1120202666 /nfs/dbraw/zinc/20/26/66/1120202666.db2.gz VHOUIAHPOBPTND-KRWDZBQOSA-N 0 1 270.376 3.801 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccc(OC)c2F)cc1 ZINC000165873678 1120204635 /nfs/dbraw/zinc/20/46/35/1120204635.db2.gz YVTRKBZPYDIIDG-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN CCC[C@@](C)(CO)NCc1csc(-c2cccs2)n1 ZINC000304345598 1120205570 /nfs/dbraw/zinc/20/55/70/1120205570.db2.gz LUTVSOZZVBRRRF-AWEZNQCLSA-N 0 1 296.461 3.512 20 0 CHADMN O=C1[C@@H]2CCCCCC2=NN1c1ccc(Cl)cc1 ZINC000103465637 1120206353 /nfs/dbraw/zinc/20/63/53/1120206353.db2.gz AIOFZTNPPWYTRL-GFCCVEGCSA-N 0 1 262.740 3.623 20 0 CHADMN O=c1c2c([nH]n1-c1ccc(Cl)cc1)CCCCC2 ZINC000103465637 1120206356 /nfs/dbraw/zinc/20/63/56/1120206356.db2.gz AIOFZTNPPWYTRL-GFCCVEGCSA-N 0 1 262.740 3.623 20 0 CHADMN CCCOc1cccc(CN[C@@H](C)c2c(C)noc2C)c1 ZINC000073007035 1120206368 /nfs/dbraw/zinc/20/63/68/1120206368.db2.gz NHWVMQZCWTZJNE-LBPRGKRZSA-N 0 1 288.391 3.931 20 0 CHADMN CCCCO[C@H]1C[C@H](N(C)Cc2c(C)noc2C)C1(C)C ZINC000177736572 1120221736 /nfs/dbraw/zinc/22/17/36/1120221736.db2.gz BLNXLSIHNPRNGM-HOTGVXAUSA-N 0 1 294.439 3.707 20 0 CHADMN COCC1(CCNc2ccnc3cc(F)ccc32)CCC1 ZINC000338732823 1120223095 /nfs/dbraw/zinc/22/30/95/1120223095.db2.gz BLKKBOBLKSULFM-UHFFFAOYSA-N 0 1 288.366 3.993 20 0 CHADMN CCCC1(CNCc2nnc(C(C)C)s2)CCC1 ZINC000893109741 1120225753 /nfs/dbraw/zinc/22/57/53/1120225753.db2.gz BUBGRMGWKSYXOH-UHFFFAOYSA-N 0 1 267.442 3.722 20 0 CHADMN C[C@H]1CCCN(Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000061757276 1120229645 /nfs/dbraw/zinc/22/96/45/1120229645.db2.gz JIGNQVZEWRIXJW-LBPRGKRZSA-N 0 1 295.810 3.733 20 0 CHADMN COC(=O)c1coc(CN(Cc2ccccc2C)C2CC2)c1 ZINC000338736802 1120231718 /nfs/dbraw/zinc/23/17/18/1120231718.db2.gz URALHOYHIMHSKF-UHFFFAOYSA-N 0 1 299.370 3.539 20 0 CHADMN CC(C)C(CNc1ccc2c(c1)CN(C)C2)C(C)C ZINC000584544913 1120232934 /nfs/dbraw/zinc/23/29/34/1120232934.db2.gz YXXMVQKOCUSYHE-UHFFFAOYSA-N 0 1 260.425 3.972 20 0 CHADMN CCCC[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000110734881 1120236811 /nfs/dbraw/zinc/23/68/11/1120236811.db2.gz FNPDSFBZZWIOOO-OCCSQVGLSA-N 0 1 285.391 3.652 20 0 CHADMN Cc1nccc(NCC(C)(C)C)c1Br ZINC000307008591 1120238455 /nfs/dbraw/zinc/23/84/55/1120238455.db2.gz HCRHMPQNYHZFCL-UHFFFAOYSA-N 0 1 257.175 3.611 20 0 CHADMN COCCO[C@H]1CCCN([C@H](C)c2ccccc2Cl)C1 ZINC000179333697 1120245449 /nfs/dbraw/zinc/24/54/49/1120245449.db2.gz YMXHFTFCUITDJH-KGLIPLIRSA-N 0 1 297.826 3.528 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H](C)CCCc2ccccc2)n1 ZINC000843149050 1120245500 /nfs/dbraw/zinc/24/55/00/1120245500.db2.gz INOFYODQGGLLHR-ZFWWWQNUSA-N 0 1 287.407 3.852 20 0 CHADMN CCN(CC)[C@H](C(=O)NCCC(C)(C)C)c1ccccc1 ZINC000111090493 1120249646 /nfs/dbraw/zinc/24/96/46/1120249646.db2.gz GENVGPWKXLGQPE-INIZCTEOSA-N 0 1 290.451 3.622 20 0 CHADMN CC[C@@H](C)Oc1ccc(-c2nc([C@@H](N)C(C)C)no2)cc1 ZINC000843149299 1120254000 /nfs/dbraw/zinc/25/40/00/1120254000.db2.gz MICWNTBYOJBTLZ-RISCZKNCSA-N 0 1 289.379 3.570 20 0 CHADMN COCc1cnc(CN2CCC[C@@H]2CC2CCCC2)s1 ZINC000656277687 1120254130 /nfs/dbraw/zinc/25/41/30/1120254130.db2.gz AKWWBLKLZDCJRU-CQSZACIVSA-N 0 1 294.464 3.834 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N1CCCC[C@@H](C)C1 ZINC000187987622 1120256158 /nfs/dbraw/zinc/25/61/58/1120256158.db2.gz HJHHVPWUKAXVCZ-NEPJUHHUSA-N 0 1 291.420 3.981 20 0 CHADMN CC[C@H](C)CN(C)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000111254718 1120257611 /nfs/dbraw/zinc/25/76/11/1120257611.db2.gz AEKIKXJNHPFREE-ZDUSSCGKSA-N 0 1 288.391 3.828 20 0 CHADMN CC(C)(C)c1coc(CNC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)n1 ZINC000921864111 1120258262 /nfs/dbraw/zinc/25/82/62/1120258262.db2.gz ZOJWAJPHJQZJHF-DAYGRLMNSA-N 0 1 296.414 3.648 20 0 CHADMN COCc1nc(C[N@@H+](C2CC2)C2CCCCC2)cs1 ZINC000075637388 1120263263 /nfs/dbraw/zinc/26/32/63/1120263263.db2.gz NIYGQNITOPUSFG-UHFFFAOYSA-N 0 1 280.437 3.587 20 0 CHADMN COCc1nc(CN(C2CC2)C2CCCCC2)cs1 ZINC000075637388 1120263267 /nfs/dbraw/zinc/26/32/67/1120263267.db2.gz NIYGQNITOPUSFG-UHFFFAOYSA-N 0 1 280.437 3.587 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@H](C(F)(F)F)C2)s1 ZINC000172732915 1120264356 /nfs/dbraw/zinc/26/43/56/1120264356.db2.gz YTYPWAIZFWHFJQ-JTQLQIEISA-N 0 1 278.343 3.534 20 0 CHADMN Fc1ccc(N2CCN(C/C=C\c3ccccc3)CC2)cc1 ZINC000103863039 1120266413 /nfs/dbraw/zinc/26/64/13/1120266413.db2.gz UMRQQTNMOHVOBF-DAXSKMNVSA-N 0 1 296.389 3.661 20 0 CHADMN CCCSC[C@H](C)NCc1nc(C2CC2)cs1 ZINC000893171819 1120276093 /nfs/dbraw/zinc/27/60/93/1120276093.db2.gz JJLONMXMDMPRSF-JTQLQIEISA-N 0 1 270.467 3.642 20 0 CHADMN Cc1ccoc1CN(C)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000930555648 1120276206 /nfs/dbraw/zinc/27/62/06/1120276206.db2.gz WFZRIWRJUOCFNP-YPMHNXCESA-N 0 1 291.313 3.520 20 0 CHADMN Cc1cc2cc[nH]c2c(N[C@H](C)CCCC(C)(C)O)n1 ZINC001168694926 1120277091 /nfs/dbraw/zinc/27/70/91/1120277091.db2.gz CPUFOJLCDLFQKX-LLVKDONJSA-N 0 1 275.396 3.613 20 0 CHADMN CCOc1cccc([C@H](C)NCc2ccncc2Cl)c1 ZINC000180708545 1120281038 /nfs/dbraw/zinc/28/10/38/1120281038.db2.gz HXHWARGGQYPHQD-LBPRGKRZSA-N 0 1 290.794 3.985 20 0 CHADMN CCCN(Cc1ccccc1)Cc1cc(OC)ccn1 ZINC000106933330 1120281920 /nfs/dbraw/zinc/28/19/20/1120281920.db2.gz ZZBVFAIIIYEQPD-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN [O-]c1cccc2c(N3CCC=C(c4ccco4)C3)cc[nH+]c12 ZINC000672320807 1120286873 /nfs/dbraw/zinc/28/68/73/1120286873.db2.gz KEJIKIFBYONBOB-UHFFFAOYSA-N 0 1 292.338 3.827 20 0 CHADMN c1ccc(CC2(CNCc3nnc(C4CC4)s3)CC2)cc1 ZINC000893195001 1120294701 /nfs/dbraw/zinc/29/47/01/1120294701.db2.gz POTIQTCGUQDBTH-UHFFFAOYSA-N 0 1 299.443 3.528 20 0 CHADMN O=C(Nc1cccc(F)c1)c1cc(-c2cccs2)n[nH]1 ZINC000107710771 1120297812 /nfs/dbraw/zinc/29/78/12/1120297812.db2.gz MERHVOBDQUJUTR-UHFFFAOYSA-N 0 1 287.319 3.530 20 0 CHADMN CC(C)CCc1nc(CN(C)C[C@H]2CCCOC2)cs1 ZINC000107801372 1120300488 /nfs/dbraw/zinc/30/04/88/1120300488.db2.gz BERXPUISMQIWEO-CQSZACIVSA-N 0 1 296.480 3.590 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2noc(-c3ccccc3)n2)[C@H]2CCCC[C@H]12 ZINC000542969817 1120303132 /nfs/dbraw/zinc/30/31/32/1120303132.db2.gz BUUNMDMLPOYXES-BMFZPTHFSA-N 0 1 297.402 3.747 20 0 CHADMN C[C@@H]1CN(Cc2noc(-c3ccccc3)n2)[C@H]2CCCC[C@H]12 ZINC000542969817 1120303134 /nfs/dbraw/zinc/30/31/34/1120303134.db2.gz BUUNMDMLPOYXES-BMFZPTHFSA-N 0 1 297.402 3.747 20 0 CHADMN N[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000019477285 1120303383 /nfs/dbraw/zinc/30/33/83/1120303383.db2.gz NVTVKIXKDYDYKY-CYBMUJFWSA-N 0 1 295.169 3.632 20 0 CHADMN O=C1[C@@H]2CCCCC2=NN1c1ccc(Cl)c(Cl)c1 ZINC000104708855 1120304912 /nfs/dbraw/zinc/30/49/12/1120304912.db2.gz HPJQVDAXHNZYBJ-SECBINFHSA-N 0 1 283.158 3.886 20 0 CHADMN O=c1c2c([nH]n1-c1ccc(Cl)c(Cl)c1)CCCC2 ZINC000104708855 1120304915 /nfs/dbraw/zinc/30/49/15/1120304915.db2.gz HPJQVDAXHNZYBJ-SECBINFHSA-N 0 1 283.158 3.886 20 0 CHADMN CC(C)(C)c1coc(CNCCCc2cccs2)n1 ZINC000921957644 1120305197 /nfs/dbraw/zinc/30/51/97/1120305197.db2.gz TWHPSVXITXRXFG-UHFFFAOYSA-N 0 1 278.421 3.756 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1nccc2c1CCCC2 ZINC000921964632 1120308165 /nfs/dbraw/zinc/30/81/65/1120308165.db2.gz RRHHNZJEKPMQAG-AWEZNQCLSA-N 0 1 295.430 3.769 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2F)N(CCO[C@H]2CC2(F)F)C1 ZINC000659963496 1120312105 /nfs/dbraw/zinc/31/21/05/1120312105.db2.gz ZVUFYLYNJOQUNN-DFBGVHRSSA-N 0 1 299.336 3.633 20 0 CHADMN Cc1cccc([C@@H]2CCCCN2Cc2cn(C)cn2)c1C ZINC000659976205 1120318872 /nfs/dbraw/zinc/31/88/72/1120318872.db2.gz RHTQTMJXGXQNHF-SFHVURJKSA-N 0 1 283.419 3.764 20 0 CHADMN CCC[C@H](C)CCC[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000629360235 1128907923 /nfs/dbraw/zinc/90/79/23/1128907923.db2.gz NVUUHBZJNRETET-FZKCQIBNSA-N 0 1 281.440 3.921 20 0 CHADMN COCC(C)(C)NCc1csc(-c2ccc(C)cc2)n1 ZINC000113334511 1120321280 /nfs/dbraw/zinc/32/12/80/1120321280.db2.gz FYOWEIPIPNAPJU-UHFFFAOYSA-N 0 1 290.432 3.633 20 0 CHADMN COc1nc(C)cc(C)c1CN(C)[C@@H]1C[C@H]1c1ccccc1 ZINC000672551729 1120324820 /nfs/dbraw/zinc/32/48/20/1120324820.db2.gz IRZMMXDAYMESGS-FUHWJXTLSA-N 0 1 296.414 3.695 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000629364828 1128908263 /nfs/dbraw/zinc/90/82/63/1128908263.db2.gz QJNOVRNRRQILLL-ZBFHGGJFSA-N 0 1 269.429 3.636 20 0 CHADMN C/C=C\C[C@H]1CCC[N@@H+](CCc2ccccc2C(=O)[O-])C1 ZINC000629375312 1128908848 /nfs/dbraw/zinc/90/88/48/1128908848.db2.gz CVYYFCIALRLRKQ-GWQWAINWSA-N 0 1 287.403 3.606 20 0 CHADMN Cc1nc(CN2CCC[C@H](CC(C)C)C2)c(C)o1 ZINC000660000447 1120333587 /nfs/dbraw/zinc/33/35/87/1120333587.db2.gz AJYHHWYBTYABFX-CQSZACIVSA-N 0 1 250.386 3.550 20 0 CHADMN C/C=C\C[C@@H]1CCC[N@@H+](CCc2ccccc2C(=O)[O-])C1 ZINC000629375313 1128908914 /nfs/dbraw/zinc/90/89/14/1128908914.db2.gz CVYYFCIALRLRKQ-MPNWYJEXSA-N 0 1 287.403 3.606 20 0 CHADMN C[C@H](CCc1ccccc1F)N[C@@H]1CCCC1(F)F ZINC000672620383 1120334502 /nfs/dbraw/zinc/33/45/02/1120334502.db2.gz MFHCQNWECNQSEU-BXUZGUMPSA-N 0 1 271.326 3.924 20 0 CHADMN C[C@H](N[C@H]1CCCC1(F)F)C1CCC(F)(F)CC1 ZINC000672622488 1120335085 /nfs/dbraw/zinc/33/50/85/1120335085.db2.gz ZDMTURKANVFWDF-ONGXEEELSA-N 0 1 267.310 3.978 20 0 CHADMN C[C@@H](CCc1cccc(F)c1)N[C@@H]1CCCC1(F)F ZINC000672620117 1120335484 /nfs/dbraw/zinc/33/54/84/1120335484.db2.gz JWAVGQIXEIARIX-SMDDNHRTSA-N 0 1 271.326 3.924 20 0 CHADMN C[C@@H]1CN(CCC2CCC2)C[C@@H](c2ccsc2)O1 ZINC000660004204 1120336771 /nfs/dbraw/zinc/33/67/71/1120336771.db2.gz YHFAIIDRQJQUJO-DOMZBBRYSA-N 0 1 265.422 3.700 20 0 CHADMN Cc1oc(C(C)(C)C)cc1CNCc1cncc(C)c1 ZINC000893248931 1120340229 /nfs/dbraw/zinc/34/02/29/1120340229.db2.gz MWLNNWIGTCEJGY-UHFFFAOYSA-N 0 1 272.392 3.879 20 0 CHADMN C[C@@H]1CN(CCSc2ccc(Cl)cc2)CC(C)(C)O1 ZINC000065427020 1120343470 /nfs/dbraw/zinc/34/34/70/1120343470.db2.gz KAWDUVUCFVVMTC-GFCCVEGCSA-N 0 1 299.867 3.931 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(F)cc2)C(C)C)nc(C)n1 ZINC000660022707 1120343807 /nfs/dbraw/zinc/34/38/07/1120343807.db2.gz XIMUPQWXJAGSMM-QGZVFWFLSA-N 0 1 287.382 3.719 20 0 CHADMN CC(C)=CCC[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000660024539 1120344965 /nfs/dbraw/zinc/34/49/65/1120344965.db2.gz WJKAMBKMZCPTSH-UHFFFAOYSA-N 0 1 287.403 3.643 20 0 CHADMN CCC1(C(=O)Nc2cccc3c2CN(C2CC2)C3)CCC1 ZINC000363870543 1120345329 /nfs/dbraw/zinc/34/53/29/1120345329.db2.gz XOZPGVBVSWJXBM-UHFFFAOYSA-N 0 1 284.403 3.683 20 0 CHADMN CC(C)(C)c1coc(CNCCc2ccc(F)c(F)c2)n1 ZINC000922040810 1120345487 /nfs/dbraw/zinc/34/54/87/1120345487.db2.gz FUNYKRXGCZQTPY-UHFFFAOYSA-N 0 1 294.345 3.583 20 0 CHADMN COc1cc(CN[C@@H](c2ccccc2)C(C)(C)C)on1 ZINC000660034986 1120348284 /nfs/dbraw/zinc/34/82/84/1120348284.db2.gz PJPWJQLUEJGEJV-HNNXBMFYSA-N 0 1 274.364 3.560 20 0 CHADMN Cc1cc(CN(C2CC2)[C@H]2CCc3ccccc32)nc(C)n1 ZINC000660035780 1120350791 /nfs/dbraw/zinc/35/07/91/1120350791.db2.gz BWAUFBSMUILSKV-IBGZPJMESA-N 0 1 293.414 3.745 20 0 CHADMN COc1ccc(CNCc2ccc3c(n2)CCCC3)c(C)c1 ZINC000922064960 1120351030 /nfs/dbraw/zinc/35/10/30/1120351030.db2.gz XDPBCJGWVLAHDK-UHFFFAOYSA-N 0 1 296.414 3.567 20 0 CHADMN Fc1ccc([C@@H](NC2CSC2)c2cccs2)cc1 ZINC000679627217 1120351800 /nfs/dbraw/zinc/35/18/00/1120351800.db2.gz IIHIWOIKFYQLBW-CQSZACIVSA-N 0 1 279.405 3.682 20 0 CHADMN CC(C)(C)CCC(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000765970336 1120351886 /nfs/dbraw/zinc/35/18/86/1120351886.db2.gz VKUQFUTXGHSOTO-AWEZNQCLSA-N 0 1 293.407 3.614 20 0 CHADMN CC(C)n1nccc1CNC1(c2ccc(Cl)cc2)CC1 ZINC000499605826 1120352268 /nfs/dbraw/zinc/35/22/68/1120352268.db2.gz LZCXESDXIAVJDV-UHFFFAOYSA-N 0 1 289.810 3.896 20 0 CHADMN CC[C@@H](C)Sc1nc(-c2ccccc2F)n[nH]1 ZINC000077904057 1120354932 /nfs/dbraw/zinc/35/49/32/1120354932.db2.gz AWECMQQZGHYYFD-MRVPVSSYSA-N 0 1 251.330 3.501 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(F)cc2)C2CCC2)nc(C)n1 ZINC000660065601 1120358182 /nfs/dbraw/zinc/35/81/82/1120358182.db2.gz GMWPDVLVDNAHRH-GOSISDBHSA-N 0 1 299.393 3.864 20 0 CHADMN COc1cc(CNC2(c3cccc(C)c3)CCCC2)on1 ZINC000660063708 1120358347 /nfs/dbraw/zinc/35/83/47/1120358347.db2.gz DOFZMDYLKJBNEB-UHFFFAOYSA-N 0 1 286.375 3.551 20 0 CHADMN CC[C@](C)(NC[C@@H](OC)C1CCCC1)c1nccs1 ZINC000660079644 1120367629 /nfs/dbraw/zinc/36/76/29/1120367629.db2.gz NJCZMJZVXVDQDH-HIFRSBDPSA-N 0 1 282.453 3.563 20 0 CHADMN CCC(CC)(CC)NCc1ncsc1Br ZINC000660080583 1120368628 /nfs/dbraw/zinc/36/86/28/1120368628.db2.gz AIVYOXNLXKQDPA-UHFFFAOYSA-N 0 1 291.258 3.964 20 0 CHADMN C[C@H](NCc1cnn(CC2CCC2)c1)c1ccsc1 ZINC000922107917 1120369207 /nfs/dbraw/zinc/36/92/07/1120369207.db2.gz IZPSRVCGWBADAS-LBPRGKRZSA-N 0 1 275.421 3.596 20 0 CHADMN CC[C@H](NC[C@@H](O)c1cccc(Cl)c1)c1nccs1 ZINC000185118324 1120370457 /nfs/dbraw/zinc/37/04/57/1120370457.db2.gz BZWXRMWCKFNZPQ-QWHCGFSZSA-N 0 1 296.823 3.571 20 0 CHADMN CCc1onc(C)c1NCc1cnc(-c2ccccc2)[nH]1 ZINC000922135265 1120380983 /nfs/dbraw/zinc/38/09/83/1120380983.db2.gz NSTNYMDVATZMQJ-UHFFFAOYSA-N 0 1 282.347 3.548 20 0 CHADMN Cc1ccc2nc(CN(C)[C@H](C)c3ccccc3)cn2c1 ZINC000078499778 1120384550 /nfs/dbraw/zinc/38/45/50/1120384550.db2.gz OWJDSFOYBKJNDH-OAHLLOKOSA-N 0 1 279.387 3.836 20 0 CHADMN c1cc(-c2noc(CN3CCC[C@]4(CC=CCC4)C3)n2)co1 ZINC000114494133 1120384789 /nfs/dbraw/zinc/38/47/89/1120384789.db2.gz UZHXCTDHSAXTRS-QGZVFWFLSA-N 0 1 299.374 3.652 20 0 CHADMN c1coc(-c2noc(CN3CCC[C@@]4(CC=CCC4)C3)n2)c1 ZINC000114495611 1120385600 /nfs/dbraw/zinc/38/56/00/1120385600.db2.gz MWHLSWJZPCVVOE-KRWDZBQOSA-N 0 1 299.374 3.652 20 0 CHADMN CC[C@H]1CCCCN1Cc1nc(-c2ccccc2C)no1 ZINC000066405469 1120390373 /nfs/dbraw/zinc/39/03/73/1120390373.db2.gz LXCYFVRGLMCDQI-AWEZNQCLSA-N 0 1 285.391 3.810 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1ccc(Cl)cc1 ZINC000078679906 1120399424 /nfs/dbraw/zinc/39/94/24/1120399424.db2.gz AXUGXPBWZHEVEB-SECBINFHSA-N 0 1 264.756 3.796 20 0 CHADMN CSc1cc(NCc2n[nH]c(C3CC3)n2)ccc1Cl ZINC000417076411 1120400237 /nfs/dbraw/zinc/40/02/37/1120400237.db2.gz LCUOJNWNNRXXFG-UHFFFAOYSA-N 0 1 294.811 3.670 20 0 CHADMN CCc1ccc(CN(C)[C@H](C)c2cnc(C)nc2C)cc1 ZINC000681641642 1120402637 /nfs/dbraw/zinc/40/26/37/1120402637.db2.gz OGFKHQORCBSCIF-CQSZACIVSA-N 0 1 283.419 3.849 20 0 CHADMN Cc1cc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)cc(Cl)n1 ZINC000320827907 1120407480 /nfs/dbraw/zinc/40/74/80/1120407480.db2.gz DJHQTCRYDPHNNN-ZFWWWQNUSA-N 0 1 296.842 3.559 20 0 CHADMN C[C@H](N(C)Cc1ccn(-c2ccccc2F)n1)C(C)(C)C ZINC000682082930 1120408407 /nfs/dbraw/zinc/40/84/07/1120408407.db2.gz FPESQYOJBUUFFK-ZDUSSCGKSA-N 0 1 289.398 3.878 20 0 CHADMN Cc1ccnc(CN2CCC[C@H]2c2ccsc2)c1 ZINC000683002257 1120434768 /nfs/dbraw/zinc/43/47/68/1120434768.db2.gz GJUWWQNJPVGCBZ-HNNXBMFYSA-N 0 1 258.390 3.789 20 0 CHADMN O=C(CCC1CC1)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000115353404 1120436171 /nfs/dbraw/zinc/43/61/71/1120436171.db2.gz RTDBQMKTMDQGJA-UHFFFAOYSA-N 0 1 283.375 3.959 20 0 CHADMN C[C@@H]1Cc2ccc(F)cc2[C@H]1N[C@H]1COCc2ccccc21 ZINC000417360442 1120437012 /nfs/dbraw/zinc/43/70/12/1120437012.db2.gz JTPWMZRPHPKOGJ-HQOQDVMHSA-N 0 1 297.373 3.920 20 0 CHADMN CCc1cccc2cc(CNCc3c(C)nn(C)c3C)oc21 ZINC000657340723 1120438550 /nfs/dbraw/zinc/43/85/50/1120438550.db2.gz WDYAMEXFADSCGG-UHFFFAOYSA-N 0 1 297.402 3.635 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H]2COCc3ccccc32)c(C)c1 ZINC000417368645 1120438558 /nfs/dbraw/zinc/43/85/58/1120438558.db2.gz RIDYEOSWCKVYLN-AUUYWEPGSA-N 0 1 297.398 3.926 20 0 CHADMN COCCSc1ccc([C@@H](C)NCc2ccoc2)cc1 ZINC000728774505 1120440801 /nfs/dbraw/zinc/44/08/01/1120440801.db2.gz KUWVMSXYCPVELW-CYBMUJFWSA-N 0 1 291.416 3.869 20 0 CHADMN COC/C(C)=C\C[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000930827829 1120442183 /nfs/dbraw/zinc/44/21/83/1120442183.db2.gz WWQSUFWYFHMWFZ-FJJYYWMZSA-N 0 1 283.415 3.972 20 0 CHADMN CCOC(CN1CCC[C@@H]1c1ccc(F)c(F)c1)OCC ZINC000364112420 1120444475 /nfs/dbraw/zinc/44/44/75/1120444475.db2.gz WQOBJRDHEUFHML-OAHLLOKOSA-N 0 1 299.361 3.501 20 0 CHADMN C[N@@H+](Cc1c2ccccc2sc1C(=O)[O-])[C@@H]1CC1(C)C ZINC000584785126 1120446356 /nfs/dbraw/zinc/44/63/56/1120446356.db2.gz AITJIOLIXLVGAT-CYBMUJFWSA-N 0 1 289.400 3.830 20 0 CHADMN Cc1c[nH]c(CN[C@@H]2c3ccccc3CCC[C@@H]2C)n1 ZINC000657433961 1120456166 /nfs/dbraw/zinc/45/61/66/1120456166.db2.gz CRVPQOOINCJVCB-SJCJKPOMSA-N 0 1 269.392 3.521 20 0 CHADMN Cc1ccc([C@H](CC(=O)[O-])[NH2+]Cc2sccc2Cl)o1 ZINC000417578550 1120460263 /nfs/dbraw/zinc/46/02/63/1120460263.db2.gz YTNYOECHANWMGJ-JTQLQIEISA-N 0 1 299.779 3.609 20 0 CHADMN COCC[C@H]1CCCC[N@@H+](Cc2csc(C(C)C)n2)C1 ZINC000364160311 1120461167 /nfs/dbraw/zinc/46/11/67/1120461167.db2.gz OBEKNNJVWGYDRI-CQSZACIVSA-N 0 1 296.480 3.905 20 0 CHADMN COCC[C@H]1CCCCN(Cc2csc(C(C)C)n2)C1 ZINC000364160311 1120461172 /nfs/dbraw/zinc/46/11/72/1120461172.db2.gz OBEKNNJVWGYDRI-CQSZACIVSA-N 0 1 296.480 3.905 20 0 CHADMN C[C@H]1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)CC1(C)C ZINC000499684560 1120462422 /nfs/dbraw/zinc/46/24/22/1120462422.db2.gz LAIKVEBLQOVUMA-ZDUSSCGKSA-N 0 1 297.402 3.585 20 0 CHADMN CCOc1cccc(Cl)c1CN1CC[C@](C)(COC)C1 ZINC000584847490 1120464381 /nfs/dbraw/zinc/46/43/81/1120464381.db2.gz PCPSVSPDCUDPTA-INIZCTEOSA-N 0 1 297.826 3.597 20 0 CHADMN COc1ccc(CN2CCCC[C@@H]2c2ccccc2)cn1 ZINC000358041429 1120467326 /nfs/dbraw/zinc/46/73/26/1120467326.db2.gz SRQYWLDUOYCHNL-QGZVFWFLSA-N 0 1 282.387 3.817 20 0 CHADMN C[C@@H]1CCCC[C@H]1NCc1ncsc1Br ZINC000660255886 1120467868 /nfs/dbraw/zinc/46/78/68/1120467868.db2.gz AXLDLBXJZREQMU-RKDXNWHRSA-N 0 1 289.242 3.574 20 0 CHADMN C[C@H]1CCCC[C@@H]1NCc1ncsc1Br ZINC000660255885 1120467939 /nfs/dbraw/zinc/46/79/39/1120467939.db2.gz AXLDLBXJZREQMU-IUCAKERBSA-N 0 1 289.242 3.574 20 0 CHADMN Cc1c2nc[nH]c2ccc1N[C@H](C)CCCC(C)(C)O ZINC001168712695 1120468348 /nfs/dbraw/zinc/46/83/48/1120468348.db2.gz SLKRJEHBKPLATE-LLVKDONJSA-N 0 1 275.396 3.613 20 0 CHADMN C(=C/c1ccccc1)\CN(Cc1ccco1)C[C@H]1CCCO1 ZINC000511639418 1120469423 /nfs/dbraw/zinc/46/94/23/1120469423.db2.gz GAYYFJGHVDRFHX-ROSSNEFBSA-N 0 1 297.398 3.974 20 0 CHADMN C(=C/c1ccccc1)\CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000511639417 1120470117 /nfs/dbraw/zinc/47/01/17/1120470117.db2.gz GAYYFJGHVDRFHX-QFXLTXBMSA-N 0 1 297.398 3.974 20 0 CHADMN Cc1noc([C@H](C)NC[C@@H]2CC[C@@H](c3ccccc3)C2)n1 ZINC000660264572 1120473355 /nfs/dbraw/zinc/47/33/55/1120473355.db2.gz XFFLKBKBVDOJAY-JGGQBBKZSA-N 0 1 285.391 3.613 20 0 CHADMN C[C@@H](N[C@@H]1C=CCCCCC1)c1nnc2n1CCCCC2 ZINC000660266323 1120475493 /nfs/dbraw/zinc/47/54/93/1120475493.db2.gz USATYHDFLDMPFR-HUUCEWRRSA-N 0 1 288.439 3.544 20 0 CHADMN C[C@H](NCCC1CCC1)c1nc(C2CCCCC2)no1 ZINC000660270958 1120476110 /nfs/dbraw/zinc/47/61/10/1120476110.db2.gz BEUZSMDDZALTBR-LBPRGKRZSA-N 0 1 277.412 3.958 20 0 CHADMN Cc1nc2c(n1CCOc1cc(C)ccc1C)CCCC2 ZINC000584877381 1120477471 /nfs/dbraw/zinc/47/74/71/1120477471.db2.gz IFBLJDIKXTWXIE-UHFFFAOYSA-N 0 1 284.403 3.766 20 0 CHADMN CCN(CC)CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000499704307 1120479459 /nfs/dbraw/zinc/47/94/59/1120479459.db2.gz KSSYWTPZLHGJJH-UHFFFAOYSA-N 0 1 288.435 3.694 20 0 CHADMN CCn1cncc1CN(Cc1ccc(F)cc1)C(C)(C)C ZINC000417755623 1120479581 /nfs/dbraw/zinc/47/95/81/1120479581.db2.gz XTZRFZHJACQMLB-UHFFFAOYSA-N 0 1 289.398 3.843 20 0 CHADMN Cc1nc(F)ccc1CNC1(c2ccc(Cl)cc2)CC1 ZINC000785469132 1120483577 /nfs/dbraw/zinc/48/35/77/1120483577.db2.gz DYMMLIALLGBYFI-UHFFFAOYSA-N 0 1 290.769 3.961 20 0 CHADMN Cc1nc(CN2CC(C)(C)CC(C)(C)C2)c(C)o1 ZINC000660289701 1120485202 /nfs/dbraw/zinc/48/52/02/1120485202.db2.gz KEXVWNPXCWUOHE-UHFFFAOYSA-N 0 1 250.386 3.550 20 0 CHADMN CCC[C@@H](CC1CCCCC1)C(=O)NCc1cn[nH]c1C ZINC000500024872 1120493196 /nfs/dbraw/zinc/49/31/96/1120493196.db2.gz VQMBWELKEOBYNQ-HNNXBMFYSA-N 0 1 291.439 3.721 20 0 CHADMN CCOc1ccc(Cl)cc1CCN[C@H](C)c1ncco1 ZINC000925634544 1120497115 /nfs/dbraw/zinc/49/71/15/1120497115.db2.gz OFLVOCAADXJZED-LLVKDONJSA-N 0 1 294.782 3.620 20 0 CHADMN C[C@H](NCc1ccc(F)cc1)c1cc(F)ccc1F ZINC000019943934 1120497513 /nfs/dbraw/zinc/49/75/13/1120497513.db2.gz FTJZFQJRTKWGJV-JTQLQIEISA-N 0 1 265.278 3.955 20 0 CHADMN COc1ccc2ccccc2c1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000511649912 1120500647 /nfs/dbraw/zinc/50/06/47/1120500647.db2.gz QQCVPZCCBSPYRN-INIZCTEOSA-N 0 1 299.414 3.849 20 0 CHADMN C[C@]1(F)CCCN([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168721719 1120501346 /nfs/dbraw/zinc/50/13/46/1120501346.db2.gz RQKVDZXJSYWWCM-DOMZBBRYSA-N 0 1 267.775 3.631 20 0 CHADMN C[C@H]1CCC[C@H](C(=O)Nc2ccc(CN(C)C)c(F)c2)C1 ZINC000086233779 1120503564 /nfs/dbraw/zinc/50/35/64/1120503564.db2.gz SXLQUPJAGVDTPG-STQMWFEESA-N 0 1 292.398 3.652 20 0 CHADMN COC(=O)c1coc(CN[C@H](C)c2cc(C)cc(C)c2)c1 ZINC001168722579 1120509883 /nfs/dbraw/zinc/50/98/83/1120509883.db2.gz GDRPHHJXFFGYSG-CYBMUJFWSA-N 0 1 287.359 3.534 20 0 CHADMN Cc1ccc(CNCc2ccc(OCC(C)C)cc2)o1 ZINC000069784914 1120521111 /nfs/dbraw/zinc/52/11/11/1120521111.db2.gz LLIKZOHOUGSDDO-UHFFFAOYSA-N 0 1 273.376 3.913 20 0 CHADMN CC(C)C[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000500158059 1120523099 /nfs/dbraw/zinc/52/30/99/1120523099.db2.gz PIZSTXIEPTWDOR-OAHLLOKOSA-N 0 1 297.402 3.727 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000543476104 1120531364 /nfs/dbraw/zinc/53/13/64/1120531364.db2.gz ZQZZJWNCMZNLSK-FFSVYQOJSA-N 0 1 297.389 3.755 20 0 CHADMN CCc1cccc(F)c1CNCc1ccc2c(c1)ncn2C ZINC000922480520 1120541980 /nfs/dbraw/zinc/54/19/80/1120541980.db2.gz HHOPFBZOZPFTSM-UHFFFAOYSA-N 0 1 297.377 3.565 20 0 CHADMN Clc1csc(CNCc2nccc3c2CCCC3)c1 ZINC000922465983 1120542336 /nfs/dbraw/zinc/54/23/36/1120542336.db2.gz YAODBWHYPODASK-UHFFFAOYSA-N 0 1 292.835 3.965 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccccc2F)cc1 ZINC000019909072 1120544492 /nfs/dbraw/zinc/54/44/92/1120544492.db2.gz USBGOCLDIWGAIE-GFCCVEGCSA-N 0 1 259.324 3.685 20 0 CHADMN C[C@H](NCc1ccc(-c2ccccc2)cc1)c1ccnn1C ZINC000447543938 1120546810 /nfs/dbraw/zinc/54/68/10/1120546810.db2.gz SHSYVMYTDCYXGU-HNNXBMFYSA-N 0 1 291.398 3.938 20 0 CHADMN CCCSC[C@H](C)N[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000893346990 1120547874 /nfs/dbraw/zinc/54/78/74/1120547874.db2.gz XRJMHCDGSNJNSK-WCQYABFASA-N 0 1 297.468 3.765 20 0 CHADMN C[C@@H](CNCc1nc2ccc(F)cc2s1)C(F)(F)F ZINC000428878137 1120549412 /nfs/dbraw/zinc/54/94/12/1120549412.db2.gz YMXQNHXTHWLOBD-ZETCQYMHSA-N 0 1 292.301 3.723 20 0 CHADMN Cc1cc(CO)cc(C)c1CNCc1ccccc1Cl ZINC000922560924 1120551021 /nfs/dbraw/zinc/55/10/21/1120551021.db2.gz PWIPNANYNKDSGL-UHFFFAOYSA-N 0 1 289.806 3.739 20 0 CHADMN C[C@H](NCc1ccccn1)c1ccc(C(F)(F)F)cc1 ZINC000019958062 1120551678 /nfs/dbraw/zinc/55/16/78/1120551678.db2.gz JIJFYQWJRONJBQ-NSHDSACASA-N 0 1 280.293 3.951 20 0 CHADMN Cc1sccc1CN[C@@H](c1ccccn1)C1CC1 ZINC000922585195 1120557014 /nfs/dbraw/zinc/55/70/14/1120557014.db2.gz QOLWQLMYELIOSS-OAHLLOKOSA-N 0 1 258.390 3.692 20 0 CHADMN FC1(F)CCC[C@H](N[C@H]2CCCc3scnc32)C1 ZINC000623921303 1120557455 /nfs/dbraw/zinc/55/74/55/1120557455.db2.gz ROPYNWOTNLSRGY-UWVGGRQHSA-N 0 1 272.364 3.688 20 0 CHADMN Cc1nc2cc(NCc3ccc4oc(C)nc4c3)ccc2[nH]1 ZINC001167755766 1120558135 /nfs/dbraw/zinc/55/81/35/1120558135.db2.gz BQLQIOSHAJWJGD-UHFFFAOYSA-N 0 1 292.342 3.933 20 0 CHADMN C[C@H](COCC1CCCCC1)NCc1cnc(C2CC2)o1 ZINC000922599679 1120561321 /nfs/dbraw/zinc/56/13/21/1120561321.db2.gz JOLJYAMWCMDEBD-CYBMUJFWSA-N 0 1 292.423 3.627 20 0 CHADMN Cc1nc([C@H](C)NC[C@@H]2CCCC2(F)F)cs1 ZINC000390564399 1120566309 /nfs/dbraw/zinc/56/63/09/1120566309.db2.gz BBGLXYRCSXIZOS-WPRPVWTQSA-N 0 1 260.353 3.538 20 0 CHADMN Cn1cnc(CN[C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000673600748 1120569218 /nfs/dbraw/zinc/56/92/18/1120569218.db2.gz FSDWAMUVZCHODV-KRWDZBQOSA-N 0 1 287.382 3.580 20 0 CHADMN COC(=O)c1cccc(Cl)c1C[N@@H+](C)[C@@H](C)C1CCC1 ZINC000508979886 1120572267 /nfs/dbraw/zinc/57/22/67/1120572267.db2.gz SUZKWIAKOKJXNT-NSHDSACASA-N 0 1 295.810 3.747 20 0 CHADMN COC(=O)c1cccc(Cl)c1CN(C)[C@@H](C)C1CCC1 ZINC000508979886 1120572272 /nfs/dbraw/zinc/57/22/72/1120572272.db2.gz SUZKWIAKOKJXNT-NSHDSACASA-N 0 1 295.810 3.747 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1ccnn1C(C)C ZINC000922667610 1120574943 /nfs/dbraw/zinc/57/49/43/1120574943.db2.gz OHIRVPDZLYUJRO-CYBMUJFWSA-N 0 1 275.371 3.762 20 0 CHADMN COc1ccccc1[C@H](N[C@H]1CC[C@@H]1C)c1ccccn1 ZINC000783258880 1120576207 /nfs/dbraw/zinc/57/62/07/1120576207.db2.gz ONTOOMQSNFLSBH-YEWWUXTCSA-N 0 1 282.387 3.568 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)NCc1cnn(C(C)(C)C)c1 ZINC000922664809 1120577187 /nfs/dbraw/zinc/57/71/87/1120577187.db2.gz FUIDJFNWMODSGP-CYBMUJFWSA-N 0 1 289.398 3.936 20 0 CHADMN Cc1nc(C2(NCC34CCC(CC3)C4)CCCCC2)no1 ZINC000347728979 1120583622 /nfs/dbraw/zinc/58/36/22/1120583622.db2.gz DGXSLACEDCHNEA-UHFFFAOYSA-N 0 1 289.423 3.707 20 0 CHADMN C[C@@H]1CC[C@H](N(C)Cc2nc(C3CC3)cs2)C1 ZINC000429577983 1120585786 /nfs/dbraw/zinc/58/57/86/1120585786.db2.gz HLQIXKYNHCTKHA-PWSUYJOCSA-N 0 1 250.411 3.641 20 0 CHADMN CCc1ccc2ccccc2c1CNCc1nccn1CC ZINC000922719425 1120587953 /nfs/dbraw/zinc/58/79/53/1120587953.db2.gz LIJCBPDHEYUQEU-UHFFFAOYSA-N 0 1 293.414 3.908 20 0 CHADMN CC(C)O[C@H](CN1CC(C)(C)OC[C@@H]1C)c1ccccc1 ZINC000428971425 1120593580 /nfs/dbraw/zinc/59/35/80/1120593580.db2.gz VUPZKONBJOYLMT-DOTOQJQBSA-N 0 1 291.435 3.652 20 0 CHADMN FC(F)(F)CCNCc1ccsc1Br ZINC000388492279 1120605908 /nfs/dbraw/zinc/60/59/08/1120605908.db2.gz HWECTMUVZGALPR-UHFFFAOYSA-N 0 1 288.132 3.553 20 0 CHADMN CO[C@H](CN[C@@H](C)c1cc2ccccc2o1)C(F)(F)F ZINC000777011255 1120606785 /nfs/dbraw/zinc/60/67/85/1120606785.db2.gz MBKXPYSZBMVUSC-TVQRCGJNSA-N 0 1 287.281 3.661 20 0 CHADMN C[C@@H]1CCCCCN1Cc1ccncc1Br ZINC000625170040 1120641519 /nfs/dbraw/zinc/64/15/19/1120641519.db2.gz VCHHGAWWIBYQAP-LLVKDONJSA-N 0 1 283.213 3.609 20 0 CHADMN COC[C@@H](N[C@@H](C)c1cncc(C)c1)c1ccc(F)cc1 ZINC000343868083 1120608330 /nfs/dbraw/zinc/60/83/30/1120608330.db2.gz VTSOEFZVSVTUKT-SUMWQHHRSA-N 0 1 288.366 3.567 20 0 CHADMN CCc1cccc(CN2CCCC[C@H]2c2ccnn2C)c1 ZINC000500418536 1120619109 /nfs/dbraw/zinc/61/91/09/1120619109.db2.gz BSVLCJVOUPPDOY-SFHVURJKSA-N 0 1 283.419 3.710 20 0 CHADMN Cc1cc(O)ccc1-c1ccc(CN(C)C)c(F)c1 ZINC000629709235 1128928871 /nfs/dbraw/zinc/92/88/71/1128928871.db2.gz QWLODWQTXUJJMJ-UHFFFAOYSA-N 0 1 259.324 3.568 20 0 CHADMN CCN(CC)[C@@H](CNC(=O)C(C)(CC)CC)c1ccco1 ZINC000158829580 1120622231 /nfs/dbraw/zinc/62/22/31/1120622231.db2.gz FYUJAHQCHGCUMF-AWEZNQCLSA-N 0 1 294.439 3.605 20 0 CHADMN CC(C)[C@H]1CCC2=NN(c3ncccc3Cl)C(=O)[C@@H]2C1 ZINC000634594755 1128929069 /nfs/dbraw/zinc/92/90/69/1128929069.db2.gz GKZYKVDOWKKZNC-WDEREUQCSA-N 0 1 291.782 3.510 20 0 CHADMN CCn1ccnc1[C@H]1CCCCN1CCC=C(C)C ZINC000660457504 1120624689 /nfs/dbraw/zinc/62/46/89/1120624689.db2.gz BDRYXQCUOYELEJ-OAHLLOKOSA-N 0 1 261.413 3.786 20 0 CHADMN CCn1ccnc1[C@@H]1CCCCN1CCC=C(C)C ZINC000660457501 1120624988 /nfs/dbraw/zinc/62/49/88/1120624988.db2.gz BDRYXQCUOYELEJ-HNNXBMFYSA-N 0 1 261.413 3.786 20 0 CHADMN Cc1cccc2c1CCN2C(=O)c1cc(Cl)ccc1O ZINC000125812112 1120625639 /nfs/dbraw/zinc/62/56/39/1120625639.db2.gz YCSWFGFCLVDHQM-UHFFFAOYSA-N 0 1 287.746 3.557 20 0 CHADMN CCOc1ccc(Nc2nc3cc(F)ccc3o2)cc1F ZINC000511722766 1120627941 /nfs/dbraw/zinc/62/79/41/1120627941.db2.gz JRRAQSORRFVRDM-UHFFFAOYSA-N 0 1 290.269 3.670 20 0 CHADMN Cc1ccncc1C[N@@H+](C)CCOC1CCCCCC1 ZINC000361420563 1120628064 /nfs/dbraw/zinc/62/80/64/1120628064.db2.gz BLNXQKULCMBNPX-UHFFFAOYSA-N 0 1 276.424 3.561 20 0 CHADMN Cc1ccncc1CN(C)CCOC1CCCCCC1 ZINC000361420563 1120628067 /nfs/dbraw/zinc/62/80/67/1120628067.db2.gz BLNXQKULCMBNPX-UHFFFAOYSA-N 0 1 276.424 3.561 20 0 CHADMN C[C@H]1Cc2cc(CN[C@H]3CCCc4cccnc43)ccc2O1 ZINC000922885987 1120629314 /nfs/dbraw/zinc/62/93/14/1120629314.db2.gz CHWGDFFZFCOPTN-GUYCJALGSA-N 0 1 294.398 3.572 20 0 CHADMN Cc1cc(C2CCN(c3nc4cc(C)ccc4o3)CC2)[nH]n1 ZINC000273321464 1120629731 /nfs/dbraw/zinc/62/97/31/1120629731.db2.gz PIARNPWUQYXWBE-UHFFFAOYSA-N 0 1 296.374 3.552 20 0 CHADMN CC[C@@H](CC(F)F)C[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000660463937 1120631452 /nfs/dbraw/zinc/63/14/52/1120631452.db2.gz JVVZXNCMOVDULX-JSGCOSHPSA-N 0 1 285.382 3.629 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@@H](C(=O)c3ccccc3)C2)c1 ZINC001143618681 1120633149 /nfs/dbraw/zinc/63/31/49/1120633149.db2.gz CVWLHVTVZCOFAA-QGZVFWFLSA-N 0 1 297.373 3.839 20 0 CHADMN COc1ccc([C@@H](NCc2ocnc2C)C2CCC2)cc1 ZINC000922887637 1120633808 /nfs/dbraw/zinc/63/38/08/1120633808.db2.gz PRAVSZOBPZBUFN-KRWDZBQOSA-N 0 1 286.375 3.623 20 0 CHADMN COc1ccc([C@H](NCc2cc(C)no2)C2CCC2)cc1 ZINC000922888249 1120636797 /nfs/dbraw/zinc/63/67/97/1120636797.db2.gz VSLGNEXVTYUOKX-QGZVFWFLSA-N 0 1 286.375 3.623 20 0 CHADMN Cc1nc(CNc2ccc3c(c2)nc(C)n3C)sc1C ZINC000893380452 1120639197 /nfs/dbraw/zinc/63/91/97/1120639197.db2.gz XNBVKJUVQNEJDZ-UHFFFAOYSA-N 0 1 286.404 3.567 20 0 CHADMN COc1cc(CN2CCC[C@H]2C)cc(C(F)(F)F)c1 ZINC001143511872 1120640458 /nfs/dbraw/zinc/64/04/58/1120640458.db2.gz OXHVXOCCNMCBQT-SNVBAGLBSA-N 0 1 273.298 3.698 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N[C@H](C)CCC(C)C)o1 ZINC000047220952 1120642564 /nfs/dbraw/zinc/64/25/64/1120642564.db2.gz SSGAVQXQSHULFG-CQSZACIVSA-N 0 1 294.439 3.676 20 0 CHADMN CCO[C@H](CN1CC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000625213378 1120648041 /nfs/dbraw/zinc/64/80/41/1120648041.db2.gz SSCOYIAHMHELCF-JKSUJKDBSA-N 0 1 279.811 3.902 20 0 CHADMN C[C@H]1CCCC[C@H]1CCNC(=O)c1n[nH]c2ccccc21 ZINC000511823254 1120655913 /nfs/dbraw/zinc/65/59/13/1120655913.db2.gz GFGPKANSYRGLEM-STQMWFEESA-N 0 1 285.391 3.509 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H]1c1ccccc1)c1c(F)cncc1F ZINC000660552889 1120656616 /nfs/dbraw/zinc/65/66/16/1120656616.db2.gz VEBAFYFVBSKHNU-JVLSTEMRSA-N 0 1 274.314 3.567 20 0 CHADMN CC[C@H](c1cccc(OC)c1)N(C)Cc1cc(C)nc(C)n1 ZINC000660559408 1120657375 /nfs/dbraw/zinc/65/73/75/1120657375.db2.gz XYBDLVQQRRZGSI-GOSISDBHSA-N 0 1 299.418 3.685 20 0 CHADMN CSc1cccc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000660562998 1120658702 /nfs/dbraw/zinc/65/87/02/1120658702.db2.gz JALLGDZUAFVERZ-HOTGVXAUSA-N 0 1 291.460 3.798 20 0 CHADMN CCO[C@H](CN[C@@H](C)c1c(F)cccc1Cl)C1CC1 ZINC000625309353 1120664628 /nfs/dbraw/zinc/66/46/28/1120664628.db2.gz MCWMYQNVFGLULA-IINYFYTJSA-N 0 1 285.790 3.945 20 0 CHADMN COc1cncc(CN[C@@H](CC2CCC2)c2ccccc2)n1 ZINC000625312144 1120665551 /nfs/dbraw/zinc/66/55/51/1120665551.db2.gz CHXHHZSYUHOAJY-KRWDZBQOSA-N 0 1 297.402 3.506 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1cccnc1C(F)(F)F ZINC000625315666 1120666814 /nfs/dbraw/zinc/66/68/14/1120666814.db2.gz GIVRGIFOIGQCMA-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN CC(C)[C@@H]1CCCC[C@H]1NCc1noc(C2CCC2)n1 ZINC000625320630 1120668020 /nfs/dbraw/zinc/66/80/20/1120668020.db2.gz CIMDTEGKVWHRPK-UONOGXRCSA-N 0 1 277.412 3.642 20 0 CHADMN CCc1nocc1CNC(C)(C)c1ccccc1C ZINC000660640936 1120673424 /nfs/dbraw/zinc/67/34/24/1120673424.db2.gz TZFMELKJPIDMTK-UHFFFAOYSA-N 0 1 258.365 3.570 20 0 CHADMN Cc1ccc2sc(CN3CCSC[C@@H](C)C3)nc2c1 ZINC000625374006 1120673670 /nfs/dbraw/zinc/67/36/70/1120673670.db2.gz WDGRIXUCNADJLH-LBPRGKRZSA-N 0 1 292.473 3.790 20 0 CHADMN Cc1cc(F)cc(NC(=O)c2cc(-c3ccccc3)n[nH]2)c1 ZINC000432199632 1120676795 /nfs/dbraw/zinc/67/67/95/1120676795.db2.gz YYKKFVVFVJPGLW-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN CCC[C@H](C)CCCN1CCOC[C@H]1CC(F)F ZINC000625426982 1120679203 /nfs/dbraw/zinc/67/92/03/1120679203.db2.gz GRDAIVSYDVLBRB-QWHCGFSZSA-N 0 1 263.372 3.559 20 0 CHADMN CC[C@H](C[N@@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1)OC ZINC000660707767 1120680812 /nfs/dbraw/zinc/68/08/12/1120680812.db2.gz JPFVURSPZJITFS-CMPLNLGQSA-N 0 1 295.814 3.634 20 0 CHADMN CC[C@H](CN(C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1)OC ZINC000660707767 1120680814 /nfs/dbraw/zinc/68/08/14/1120680814.db2.gz JPFVURSPZJITFS-CMPLNLGQSA-N 0 1 295.814 3.634 20 0 CHADMN c1n[nH]cc1CN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000651609446 1120680898 /nfs/dbraw/zinc/68/08/98/1120680898.db2.gz LIWLHLMVKFSNOG-MRXNPFEDSA-N 0 1 267.376 3.527 20 0 CHADMN CC[C@@H](C[N@@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1)OC ZINC000660707768 1120681019 /nfs/dbraw/zinc/68/10/19/1120681019.db2.gz JPFVURSPZJITFS-JQWIXIFHSA-N 0 1 295.814 3.634 20 0 CHADMN CC[C@@H](CN(C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1)OC ZINC000660707768 1120681021 /nfs/dbraw/zinc/68/10/21/1120681021.db2.gz JPFVURSPZJITFS-JQWIXIFHSA-N 0 1 295.814 3.634 20 0 CHADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]C[C@@H]2CCCCC2(C)C)n1 ZINC000660748836 1120684228 /nfs/dbraw/zinc/68/42/28/1120684228.db2.gz BAYPUUPWEISUGS-ZDUSSCGKSA-N 0 1 291.439 3.532 20 0 CHADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@@H]1C[C@H]1C ZINC000625459223 1120684687 /nfs/dbraw/zinc/68/46/87/1120684687.db2.gz UDJKHXKXGHXXCB-MXWKQRLJSA-N 0 1 277.799 3.865 20 0 CHADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]C[C@H]2CCCCC2(C)C)n1 ZINC000660748831 1120684759 /nfs/dbraw/zinc/68/47/59/1120684759.db2.gz BAYPUUPWEISUGS-CYBMUJFWSA-N 0 1 291.439 3.532 20 0 CHADMN CN(Cc1nc(-c2ccccc2)no1)CC1CCCCC1 ZINC000044000020 1120685836 /nfs/dbraw/zinc/68/58/36/1120685836.db2.gz ABLRLVOZPLDTIF-UHFFFAOYSA-N 0 1 285.391 3.749 20 0 CHADMN CSc1ccccc1-c1ccc([C@H]2COCCN2)cc1 ZINC000629752153 1128933486 /nfs/dbraw/zinc/93/34/86/1128933486.db2.gz UBRCVQJSHPSPMM-MRXNPFEDSA-N 0 1 285.412 3.736 20 0 CHADMN CC[C@H](NCc1nc2c(s1)CCC2)c1cccs1 ZINC000093064640 1120690328 /nfs/dbraw/zinc/69/03/28/1120690328.db2.gz BIXJQJYCVTTXFU-JTQLQIEISA-N 0 1 278.446 3.934 20 0 CHADMN CCN(Cc1nc2cc(C)ccc2s1)[C@@H]1CCCOC1 ZINC000625511592 1120697177 /nfs/dbraw/zinc/69/71/77/1120697177.db2.gz CPDGMGLGYFXPSY-CYBMUJFWSA-N 0 1 290.432 3.606 20 0 CHADMN COc1cc(CNC2(c3cccc(C)c3)CCC2)sn1 ZINC000660901027 1120698115 /nfs/dbraw/zinc/69/81/15/1120698115.db2.gz UYKUDVGVHQGSRO-UHFFFAOYSA-N 0 1 288.416 3.629 20 0 CHADMN CCc1nocc1CN(C)[C@H](C)CSc1ccccc1 ZINC000660908826 1120701012 /nfs/dbraw/zinc/70/10/12/1120701012.db2.gz GDGSOZCBCOCWHI-CYBMUJFWSA-N 0 1 290.432 3.850 20 0 CHADMN Cc1noc([C@H](C)N(C)C[C@@H]2CCCCC2(C)C)n1 ZINC000660926923 1120703865 /nfs/dbraw/zinc/70/38/65/1120703865.db2.gz ULMOBASVBXEIQG-AAEUAGOBSA-N 0 1 265.401 3.587 20 0 CHADMN C[C@H](c1nnc(-c2ccccc2)o1)N1C[C@@H]2CCCC[C@@H]21 ZINC000660928582 1120704533 /nfs/dbraw/zinc/70/45/33/1120704533.db2.gz PTFNFLHNOUCGPY-SNPRPXQTSA-N 0 1 283.375 3.672 20 0 CHADMN CN(Cc1csc(C2CCCCC2)n1)Cc1cnc[nH]1 ZINC000661087301 1120714999 /nfs/dbraw/zinc/71/49/99/1120714999.db2.gz PYIRLGAXCJMQCS-UHFFFAOYSA-N 0 1 290.436 3.546 20 0 CHADMN CC[C@@H](C)N(CC)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000661107749 1120717557 /nfs/dbraw/zinc/71/75/57/1120717557.db2.gz NFYPFHBOVOUEDU-SNVBAGLBSA-N 0 1 295.333 3.635 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000893421082 1120717669 /nfs/dbraw/zinc/71/76/69/1120717669.db2.gz PXMQUARGONWKIH-ZIAGYGMSSA-N 0 1 282.387 3.598 20 0 CHADMN Cc1cnc(CN2CCC[C@H]2c2c(C)cccc2C)o1 ZINC000661134521 1120724155 /nfs/dbraw/zinc/72/41/55/1120724155.db2.gz OFXPHMUSAAPJDZ-HNNXBMFYSA-N 0 1 270.376 3.937 20 0 CHADMN Cc1cccc(C)c1[C@H]1CCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000661135715 1120724510 /nfs/dbraw/zinc/72/45/10/1120724510.db2.gz FTXNBYYSIGTYLL-GOSISDBHSA-N 0 1 295.430 3.783 20 0 CHADMN Cc1cccc(C)c1[C@H]1CCCN1Cc1cc2n(n1)CCC2 ZINC000661135715 1120724514 /nfs/dbraw/zinc/72/45/14/1120724514.db2.gz FTXNBYYSIGTYLL-GOSISDBHSA-N 0 1 295.430 3.783 20 0 CHADMN Cc1nn(C)cc1CN(Cc1ccsc1)C(C)(C)C ZINC000661134409 1120724596 /nfs/dbraw/zinc/72/45/96/1120724596.db2.gz YHFCFZMPJDTFQA-UHFFFAOYSA-N 0 1 277.437 3.591 20 0 CHADMN COc1cc(CN(Cc2ccsc2)C(C)(C)C)ccn1 ZINC000661136442 1120725470 /nfs/dbraw/zinc/72/54/70/1120725470.db2.gz RMJBZVZMBSVUCD-UHFFFAOYSA-N 0 1 290.432 3.952 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1c(C)cc(C(C)(C)C)cc1C ZINC000044621146 1120725841 /nfs/dbraw/zinc/72/58/41/1120725841.db2.gz XWJBAEQIZUIQSR-INIZCTEOSA-N 0 1 291.435 3.896 20 0 CHADMN C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1cc2cnccc2o1 ZINC000651758317 1120736116 /nfs/dbraw/zinc/73/61/16/1120736116.db2.gz WRWVZAOVLBBSNF-JQWIXIFHSA-N 0 1 298.308 3.991 20 0 CHADMN CCc1noc([C@H](C)N2CCc3ccccc3C(C)(C)C2)n1 ZINC000661210470 1120739563 /nfs/dbraw/zinc/73/95/63/1120739563.db2.gz QUZMTKCYEUFMNL-ZDUSSCGKSA-N 0 1 299.418 3.529 20 0 CHADMN CCN(Cc1sccc1Br)CC1CC1 ZINC000068947822 1120747752 /nfs/dbraw/zinc/74/77/52/1120747752.db2.gz FNFAMLKHAQDHPD-UHFFFAOYSA-N 0 1 274.227 3.743 20 0 CHADMN CC[C@H]1c2ccsc2CCN1Cc1ncccc1C ZINC000093159227 1128938350 /nfs/dbraw/zinc/93/83/50/1128938350.db2.gz NVXONHJWEUECAJ-HNNXBMFYSA-N 0 1 272.417 3.961 20 0 CHADMN CC[C@]1(C)CCC[C@H]1NCc1nccc(C(F)(F)F)n1 ZINC000651830884 1120756742 /nfs/dbraw/zinc/75/67/42/1120756742.db2.gz TUCIOYLQFZDXOT-ZWNOBZJWSA-N 0 1 287.329 3.554 20 0 CHADMN CC1(C)C[C@H](N2CC3(CCCC3)[C@@H]2c2ccco2)CO1 ZINC000661436890 1120763942 /nfs/dbraw/zinc/76/39/42/1120763942.db2.gz WPMWYVASJFSFDD-ZFWWWQNUSA-N 0 1 275.392 3.764 20 0 CHADMN COCc1ccc(CNCc2cccc3ccsc32)o1 ZINC000651862934 1120765273 /nfs/dbraw/zinc/76/52/73/1120765273.db2.gz NSWHPVOMBOBENJ-UHFFFAOYSA-N 0 1 287.384 3.931 20 0 CHADMN Cc1cc(C)n(CCN2CC3(CCCC3)[C@@H]2c2ccco2)n1 ZINC000661435518 1120766373 /nfs/dbraw/zinc/76/63/73/1120766373.db2.gz OPLYPVWSKLGXFO-KRWDZBQOSA-N 0 1 299.418 3.710 20 0 CHADMN Cc1cc(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)c(C)s1 ZINC000661461293 1120768028 /nfs/dbraw/zinc/76/80/28/1120768028.db2.gz BSDWWXGYSWWFKX-NSHDSACASA-N 0 1 265.422 3.508 20 0 CHADMN Cc1cc(CN2CC3(CCC3)OC[C@@H]2C)c(C)s1 ZINC000661461293 1120768030 /nfs/dbraw/zinc/76/80/30/1120768030.db2.gz BSDWWXGYSWWFKX-NSHDSACASA-N 0 1 265.422 3.508 20 0 CHADMN Cc1nocc1CN(C)[C@@H](C)CSc1ccccc1 ZINC000651875762 1120769256 /nfs/dbraw/zinc/76/92/56/1120769256.db2.gz CNPAVVDEGIUEJF-LBPRGKRZSA-N 0 1 276.405 3.596 20 0 CHADMN CC(C)c1noc([C@@H](C)N[C@@H]2Cc3ccccc3[C@@H]2C)n1 ZINC000661519625 1120773690 /nfs/dbraw/zinc/77/36/90/1120773690.db2.gz BBLBORFOIOQKQL-YWPYICTPSA-N 0 1 285.391 3.572 20 0 CHADMN C[C@H]1c2ccccc2C[C@H]1NCc1ncc(C(C)(C)C)o1 ZINC000661521088 1120773833 /nfs/dbraw/zinc/77/38/33/1120773833.db2.gz LINJGRNBMFLVRF-SWLSCSKDSA-N 0 1 284.403 3.790 20 0 CHADMN C[C@@H](O)C[C@@H](C)NCc1c(Cl)ccc(Cl)c1Cl ZINC000228086626 1120774951 /nfs/dbraw/zinc/77/49/51/1120774951.db2.gz OTFRLZFTSHQKIY-HTQZYQBOSA-N 0 1 296.625 3.896 20 0 CHADMN C[C@@H]1CCN(C(=O)c2[nH]nc3ccccc32)[C@H]2CCCC[C@H]12 ZINC000045906022 1120774845 /nfs/dbraw/zinc/77/48/45/1120774845.db2.gz UQKRGPLKCRZSTR-IOASZLSFSA-N 0 1 297.402 3.604 20 0 CHADMN Fc1cccc(F)c1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000511891829 1120777313 /nfs/dbraw/zinc/77/73/13/1120777313.db2.gz RBQZNJKCEYXYRO-NHYWBVRUSA-N 0 1 251.320 3.729 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000511891829 1120777316 /nfs/dbraw/zinc/77/73/16/1120777316.db2.gz RBQZNJKCEYXYRO-NHYWBVRUSA-N 0 1 251.320 3.729 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CCC[C@@](O)(C2CC2)C1 ZINC000661627442 1120787574 /nfs/dbraw/zinc/78/75/74/1120787574.db2.gz RDKWAHWFFGOGLE-BZNIZROVSA-N 0 1 297.801 3.777 20 0 CHADMN FCC[C@@H]1CCCN(Cc2ccc(Cl)s2)C1 ZINC000661691106 1120787649 /nfs/dbraw/zinc/78/76/49/1120787649.db2.gz STPBPPZUQQEYJN-JTQLQIEISA-N 0 1 261.793 3.973 20 0 CHADMN Cn1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(F)cc32)c1 ZINC000651949134 1120789391 /nfs/dbraw/zinc/78/93/91/1120789391.db2.gz DUFBOTWHZPDMFD-OAHLLOKOSA-N 0 1 288.366 3.556 20 0 CHADMN Cc1ccc2[nH]c(CN3CCS[C@H](C)C3)cc2c1C ZINC000473133800 1120796293 /nfs/dbraw/zinc/79/62/93/1120796293.db2.gz UCAHBKYCPDYNJI-GFCCVEGCSA-N 0 1 274.433 3.722 20 0 CHADMN C/C=C/C[C@@H]1CCCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000629884536 1128941169 /nfs/dbraw/zinc/94/11/69/1128941169.db2.gz ZECBUACDSFQNFC-RDFMZFSFSA-N 0 1 297.402 3.690 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(O)cc(F)c1 ZINC000473150047 1120819578 /nfs/dbraw/zinc/81/95/78/1120819578.db2.gz WJJUFUZIKZJCQE-PVXIVEMSSA-N 0 1 263.356 3.684 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000661856957 1120826052 /nfs/dbraw/zinc/82/60/52/1120826052.db2.gz MBYHPVSKRMXJOV-WOPDTQHZSA-N 0 1 269.335 3.525 20 0 CHADMN Cc1cccc(Cl)c1N1N=C2CCCC[C@@H]2C1=O ZINC000634609105 1128942913 /nfs/dbraw/zinc/94/29/13/1128942913.db2.gz WGHWBVSCSBEJFH-JTQLQIEISA-N 0 1 262.740 3.541 20 0 CHADMN Cc1cccc(Cl)c1-n1[nH]c2c(c1=O)CCCC2 ZINC000634609105 1128942916 /nfs/dbraw/zinc/94/29/16/1128942916.db2.gz WGHWBVSCSBEJFH-JTQLQIEISA-N 0 1 262.740 3.541 20 0 CHADMN COc1cc(CN2C[C@H]3CC[C@@H]2C3)cc(C(F)(F)F)c1 ZINC001143519418 1120838530 /nfs/dbraw/zinc/83/85/30/1120838530.db2.gz LPLDBWWXSPORCC-GXFFZTMASA-N 0 1 285.309 3.698 20 0 CHADMN Cc1cc(Cl)cnc1NCc1[nH]nc2ccccc21 ZINC000642944623 1120839282 /nfs/dbraw/zinc/83/92/82/1120839282.db2.gz VMFPEOLAHPKLAW-UHFFFAOYSA-N 0 1 272.739 3.532 20 0 CHADMN C[C@H](NCc1ccc(Cl)c(Cl)c1)c1cnn(C)c1 ZINC000301479696 1120843502 /nfs/dbraw/zinc/84/35/02/1120843502.db2.gz AGHOXXHFVKACBW-VIFPVBQESA-N 0 1 284.190 3.578 20 0 CHADMN Cc1cc(CN2CC[C@H](C)C2)sc1Br ZINC000511912994 1120844683 /nfs/dbraw/zinc/84/46/83/1120844683.db2.gz YMBZKTDDTGPBCP-QMMMGPOBSA-N 0 1 274.227 3.661 20 0 CHADMN CSCc1ccc(CN(C)Cc2ccncc2)cc1 ZINC000893539334 1120845810 /nfs/dbraw/zinc/84/58/10/1120845810.db2.gz HWENEPIGDJOPMD-UHFFFAOYSA-N 0 1 272.417 3.577 20 0 CHADMN CC(C)Cc1ccc(CN(C)[C@H](C)c2ccncc2)cn1 ZINC000893539697 1120849301 /nfs/dbraw/zinc/84/93/01/1120849301.db2.gz LZYIVVILLBKBBJ-OAHLLOKOSA-N 0 1 283.419 3.868 20 0 CHADMN Fc1ccc(-c2nc(CN3CC[C@@H]4C[C@@H]4C3)cs2)cc1 ZINC000661972483 1120849849 /nfs/dbraw/zinc/84/98/49/1120849849.db2.gz FGLXJRPPZQXHIX-CHWSQXEVSA-N 0 1 288.391 3.791 20 0 CHADMN C[C@H]1COC2(CCCC2)CN1Cc1cnc2ccccc2c1 ZINC000661977927 1120850655 /nfs/dbraw/zinc/85/06/55/1120850655.db2.gz CEUPVXSHXVXERO-HNNXBMFYSA-N 0 1 296.414 3.768 20 0 CHADMN CC(C)[C@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1F ZINC000049077531 1120850962 /nfs/dbraw/zinc/85/09/62/1120850962.db2.gz NYBCSDMCROZCFA-CQSZACIVSA-N 0 1 298.789 3.538 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000652396422 1120851695 /nfs/dbraw/zinc/85/16/95/1120851695.db2.gz ZVPJDYLXNODCMZ-IINYFYTJSA-N 0 1 299.773 3.727 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@@H+](C)CCc1cccc2ccccc21 ZINC000652404669 1120854908 /nfs/dbraw/zinc/85/49/08/1120854908.db2.gz WMFZFFGRAGSTIP-QGZVFWFLSA-N 0 1 285.387 3.567 20 0 CHADMN C[C@@H](N[C@@H](C)C1CCC(F)CC1)c1nc(C(C)(C)C)no1 ZINC000662000986 1120855954 /nfs/dbraw/zinc/85/59/54/1120855954.db2.gz QSEYUQMGUWZAIK-ZFDZMSFRSA-N 0 1 297.418 3.935 20 0 CHADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000652409223 1120857179 /nfs/dbraw/zinc/85/71/79/1120857179.db2.gz ZPSXLWRAXBMGPH-CRAIPNDOSA-N 0 1 297.398 3.856 20 0 CHADMN C[C@]1(c2ccccc2)CCC[N@@H+](CCCCCC(=O)[O-])C1 ZINC000652414686 1120858789 /nfs/dbraw/zinc/85/87/89/1120858789.db2.gz ODCVTTIYIBDREE-SFHVURJKSA-N 0 1 289.419 3.685 20 0 CHADMN O=C([O-])CCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000652416160 1120859103 /nfs/dbraw/zinc/85/91/03/1120859103.db2.gz LOGRFSVBWOZYMR-BRWVUGGUSA-N 0 1 287.403 3.509 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@H+]1CCCC2(C1)CCCCCC2 ZINC000652430629 1120861279 /nfs/dbraw/zinc/86/12/79/1120861279.db2.gz RKROUZCJKLVNIB-CQSZACIVSA-N 0 1 267.413 3.676 20 0 CHADMN C[C@@H]1CC[N@@H+](CCCCCC(=O)[O-])[C@H](c2ccco2)C1 ZINC000652432547 1120862287 /nfs/dbraw/zinc/86/22/87/1120862287.db2.gz NUXATPVGTSKQMH-KGLIPLIRSA-N 0 1 279.380 3.698 20 0 CHADMN CC(C)CC[C@H]1CCC[N@H+]1CCCCCC(=O)[O-] ZINC000652437070 1120863265 /nfs/dbraw/zinc/86/32/65/1120863265.db2.gz ZVTAJWGWSUUVQB-CQSZACIVSA-N 0 1 255.402 3.532 20 0 CHADMN CC[N@@H+](CCCCCC(=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000652444667 1120865275 /nfs/dbraw/zinc/86/52/75/1120865275.db2.gz IPTABJQPKOZRIV-ZDUSSCGKSA-N 0 1 283.437 3.646 20 0 CHADMN O=C([O-])[C@@H](CC[N@H+]1CC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000652450067 1120865890 /nfs/dbraw/zinc/86/58/90/1120865890.db2.gz ZSRKOHQQXYRNHH-ULQDDVLXSA-N 0 1 287.403 3.509 20 0 CHADMN CC(C)CC1(NCc2nnc(-c3ccccc3)s2)CC1 ZINC000662067834 1120868308 /nfs/dbraw/zinc/86/83/08/1120868308.db2.gz DFKWZHYDPVWHAP-UHFFFAOYSA-N 0 1 287.432 3.873 20 0 CHADMN CO[C@H](C)c1nc(CNC2(CC(C)C)CC2)cs1 ZINC000662071031 1120869105 /nfs/dbraw/zinc/86/91/05/1120869105.db2.gz XXXNVIKZZFJDME-LLVKDONJSA-N 0 1 268.426 3.519 20 0 CHADMN CC(C)CC1(N[C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000662071014 1120869465 /nfs/dbraw/zinc/86/94/65/1120869465.db2.gz XROFEWNUCORMJZ-LBPRGKRZSA-N 0 1 285.391 3.565 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000652488054 1120872342 /nfs/dbraw/zinc/87/23/42/1120872342.db2.gz CWRIWPALZDHROW-CQSZACIVSA-N 0 1 289.419 3.959 20 0 CHADMN CC(C)(C)CCC[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000652487766 1120872683 /nfs/dbraw/zinc/87/26/83/1120872683.db2.gz RDIUCAIQOCDCIH-UHFFFAOYSA-N 0 1 275.392 3.569 20 0 CHADMN Clc1ccc(-c2cccc([C@@H]3COCCN3)c2)cc1 ZINC000630052498 1128945993 /nfs/dbraw/zinc/94/59/93/1128945993.db2.gz VUHCSLMZNIEANI-INIZCTEOSA-N 0 1 273.763 3.668 20 0 CHADMN CC[C@H](c1ccccc1)N(Cc1cnnn1CC)C(C)C ZINC000662105278 1120876904 /nfs/dbraw/zinc/87/69/04/1120876904.db2.gz NYWPOXUNKLMBLB-QGZVFWFLSA-N 0 1 286.423 3.660 20 0 CHADMN CC[C@@H](c1ccccc1)N(Cc1cnnn1CC)C(C)C ZINC000662105277 1120877059 /nfs/dbraw/zinc/87/70/59/1120877059.db2.gz NYWPOXUNKLMBLB-KRWDZBQOSA-N 0 1 286.423 3.660 20 0 CHADMN Cc1cc(C)c([C@H](C)N2CCc3nccnc3C2)c(C)c1 ZINC000662123200 1120880873 /nfs/dbraw/zinc/88/08/73/1120880873.db2.gz ZXXPNEAHBKCGDC-HNNXBMFYSA-N 0 1 281.403 3.521 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1nc(-c2cccs2)no1 ZINC000662134052 1120882805 /nfs/dbraw/zinc/88/28/05/1120882805.db2.gz SGBYROAUSUXALE-YOGCLGLASA-N 0 1 289.404 3.561 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000662133398 1120882867 /nfs/dbraw/zinc/88/28/67/1120882867.db2.gz MSVRVXIXVGBBIN-FOIKRFTLSA-N 0 1 277.412 3.691 20 0 CHADMN CCCn1c(C)nnc1CN1CCCC[C@@H]1CC1CCC1 ZINC000662154688 1120886676 /nfs/dbraw/zinc/88/66/76/1120886676.db2.gz CAGMHJYGIXOZJY-MRXNPFEDSA-N 0 1 290.455 3.541 20 0 CHADMN CCCCC[C@@H]1CCCCN1Cc1cc(C(C)=O)no1 ZINC000662153132 1120887607 /nfs/dbraw/zinc/88/76/07/1120887607.db2.gz AGZIEQIUUXMOJP-CQSZACIVSA-N 0 1 278.396 3.812 20 0 CHADMN CCCOc1ccc(CNCc2ccc(C)o2)c(C)c1 ZINC000188793845 1120894423 /nfs/dbraw/zinc/89/44/23/1120894423.db2.gz YWZHOBHLFWMMOZ-UHFFFAOYSA-N 0 1 273.376 3.975 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N(C)C[C@@H]1CCc2ccccc21 ZINC000662199742 1120896509 /nfs/dbraw/zinc/89/65/09/1120896509.db2.gz SXCSITUYMOFFEZ-WFASDCNBSA-N 0 1 297.402 3.670 20 0 CHADMN c1ccc(-c2n[nH]c(SC[C@@H]3C[C@H]4C[C@H]4C3)n2)cc1 ZINC000663238463 1120897036 /nfs/dbraw/zinc/89/70/36/1120897036.db2.gz UVQQGDUSFXHLRN-LMKPVCQUSA-N 0 1 271.389 3.610 20 0 CHADMN CO[C@H]1CN(Cc2cnc(C3CCCC3)s2)CC[C@H]1C ZINC000188323960 1120899415 /nfs/dbraw/zinc/89/94/15/1120899415.db2.gz NEOYJHQNXMIURY-DOMZBBRYSA-N 0 1 294.464 3.658 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H]2CCCC3(CC3)C2)n1 ZINC000663251905 1120900257 /nfs/dbraw/zinc/90/02/57/1120900257.db2.gz XSPQHIKTTUZQFL-VXGBXAGGSA-N 0 1 263.385 3.553 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@]2(c3ccccc3)CC2(C)C)n1 ZINC000663251969 1120900657 /nfs/dbraw/zinc/90/06/57/1120900657.db2.gz ZYYIPHPZTVDJTK-KBXCAEBGSA-N 0 1 299.418 3.832 20 0 CHADMN CC1(C)CCCC[C@@H]1C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000662213690 1120902923 /nfs/dbraw/zinc/90/29/23/1120902923.db2.gz BPWKAVMOVXGWLE-CABCVRRESA-N 0 1 281.440 3.922 20 0 CHADMN CC1(C)CCCC[C@@H]1C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000662213694 1120903252 /nfs/dbraw/zinc/90/32/52/1120903252.db2.gz BPWKAVMOVXGWLE-HUUCEWRRSA-N 0 1 281.440 3.922 20 0 CHADMN CSc1ccccc1C[N@@H+](C)CC1=CCSC1 ZINC000662264385 1120913808 /nfs/dbraw/zinc/91/38/08/1120913808.db2.gz QYXSPHGVFDBFRQ-UHFFFAOYSA-N 0 1 265.447 3.514 20 0 CHADMN CC(C)c1cccc(CNCc2cccc(N(C)C)n2)c1 ZINC000663321327 1120924645 /nfs/dbraw/zinc/92/46/45/1120924645.db2.gz ZGKXJUSGYUJRGW-UHFFFAOYSA-N 0 1 283.419 3.561 20 0 CHADMN Cc1ccnc(CN2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000643253785 1120925403 /nfs/dbraw/zinc/92/54/03/1120925403.db2.gz IQWLOEVHHBJCFZ-GFCCVEGCSA-N 0 1 272.314 3.554 20 0 CHADMN Cc1cccnc1CN[C@]1(c2ccccc2)CC1(C)C ZINC000662341546 1120928066 /nfs/dbraw/zinc/92/80/66/1120928066.db2.gz UWXAHTIAIYNIFS-SFHVURJKSA-N 0 1 266.388 3.805 20 0 CHADMN CN(Cc1csc(-c2ccoc2)n1)C[C@@H]1CC1(C)C ZINC000662347474 1120929396 /nfs/dbraw/zinc/92/93/96/1120929396.db2.gz KMTNJSFVGDRCGF-LBPRGKRZSA-N 0 1 276.405 3.881 20 0 CHADMN CN(Cc1ncc(-c2cccs2)o1)C[C@H]1CC1(C)C ZINC000662346053 1120929971 /nfs/dbraw/zinc/92/99/71/1120929971.db2.gz NZTVSGOBFSMURB-LLVKDONJSA-N 0 1 276.405 3.881 20 0 CHADMN CN(Cc1coc(-c2cccs2)n1)C[C@H]1CC1(C)C ZINC000662347855 1120930047 /nfs/dbraw/zinc/93/00/47/1120930047.db2.gz OAQPEQGHOTYBSI-LLVKDONJSA-N 0 1 276.405 3.881 20 0 CHADMN CC12CC(C1)CN2Cc1csc(-c2ccsc2)n1 ZINC000662382364 1120932703 /nfs/dbraw/zinc/93/27/03/1120932703.db2.gz UMGNAJDRJAKZKI-UHFFFAOYSA-N 0 1 276.430 3.856 20 0 CHADMN CC12CC(C1)CN2Cc1csc(-c2ccccc2F)n1 ZINC000662383209 1120932897 /nfs/dbraw/zinc/93/28/97/1120932897.db2.gz IOORPGCYIKXCBB-UHFFFAOYSA-N 0 1 288.391 3.934 20 0 CHADMN COc1ccc(C2(NCc3cc(C)no3)CCCC2)cc1 ZINC000264986398 1120937505 /nfs/dbraw/zinc/93/75/05/1120937505.db2.gz BFNSSUNZVVQYNK-UHFFFAOYSA-N 0 1 286.375 3.551 20 0 CHADMN CCCC[C@@H](COC)N[C@@H](C)c1csc(CC)n1 ZINC000162368457 1120939550 /nfs/dbraw/zinc/93/95/50/1120939550.db2.gz TUQFZFGHPVHZLZ-RYUDHWBXSA-N 0 1 270.442 3.561 20 0 CHADMN CCc1cccc2cc(CNCc3ccnn3CC)oc21 ZINC000663349379 1120942543 /nfs/dbraw/zinc/94/25/43/1120942543.db2.gz KNQKXQXGNIFOCF-UHFFFAOYSA-N 0 1 283.375 3.501 20 0 CHADMN CC1(C)CN(CCc2ccccc2F)[C@H]1c1cccnc1 ZINC000644835725 1120948970 /nfs/dbraw/zinc/94/89/70/1120948970.db2.gz UBUUSXCRKHVSSJ-KRWDZBQOSA-N 0 1 284.378 3.846 20 0 CHADMN CCCc1ccc([C@@H](NCc2cc[nH]n2)C(C)C)cc1 ZINC000066970826 1120952838 /nfs/dbraw/zinc/95/28/38/1120952838.db2.gz RIMUXVPGMLJCIL-KRWDZBQOSA-N 0 1 271.408 3.849 20 0 CHADMN COCc1cccc(CN[C@@H](C)c2cccc(F)c2F)c1 ZINC000121879400 1120965662 /nfs/dbraw/zinc/96/56/62/1120965662.db2.gz TUJHHUQEFJNZDU-LBPRGKRZSA-N 0 1 291.341 3.962 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1cncc(Cl)c1 ZINC000621248190 1120976498 /nfs/dbraw/zinc/97/64/98/1120976498.db2.gz YEBVECMKSVRXTF-UHFFFAOYSA-N 0 1 290.794 3.766 20 0 CHADMN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCC(C)CC1 ZINC000007389346 1120981734 /nfs/dbraw/zinc/98/17/34/1120981734.db2.gz JVBXZCQORZPJBG-HNNXBMFYSA-N 0 1 296.414 3.899 20 0 CHADMN CC[C@H]1CCCC[N@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000302735308 1120984125 /nfs/dbraw/zinc/98/41/25/1120984125.db2.gz GMMRDYXFQDGAAK-AWEZNQCLSA-N 0 1 277.799 3.752 20 0 CHADMN CCn1nccc1CN[C@@H](c1cc(F)ccc1F)C(C)C ZINC000663472123 1120985517 /nfs/dbraw/zinc/98/55/17/1120985517.db2.gz XLVJSHQJNWKJDD-MRXNPFEDSA-N 0 1 293.361 3.668 20 0 CHADMN CCn1nccc1CN[C@@H](CCC(C)C)c1ccoc1 ZINC000663470728 1120985991 /nfs/dbraw/zinc/98/59/91/1120985991.db2.gz QUSYKRBOCFLCFL-INIZCTEOSA-N 0 1 275.396 3.763 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1cccc(C)c1C ZINC000078679748 1128955152 /nfs/dbraw/zinc/95/51/52/1128955152.db2.gz XQMWPVTYJFVUQY-GFCCVEGCSA-N 0 1 258.365 3.759 20 0 CHADMN CCOC[C@H]1CCCN(Cc2cccc(Cl)c2F)C1 ZINC000093419468 1128955205 /nfs/dbraw/zinc/95/52/05/1128955205.db2.gz NGVOVJKYMZNCSS-LBPRGKRZSA-N 0 1 285.790 3.728 20 0 CHADMN C[C@@H](O)C1CCN([C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000304012591 1120999454 /nfs/dbraw/zinc/99/94/54/1120999454.db2.gz BUWPDQCYFPOLOL-GHMZBOCLSA-N 0 1 285.790 3.633 20 0 CHADMN CC1CCC(C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000314135317 1121004804 /nfs/dbraw/zinc/00/48/04/1121004804.db2.gz KSWSJXXUVUQZQL-UHFFFAOYSA-N 0 1 287.403 3.569 20 0 CHADMN Cc1nc([C@H](C)N[C@@H](C)[C@@H]2COc3ccccc32)cs1 ZINC000373140498 1121012612 /nfs/dbraw/zinc/01/26/12/1121012612.db2.gz RRXPTNYPIBWZMZ-MJVIPROJSA-N 0 1 288.416 3.667 20 0 CHADMN c1ccc2c(c1)CCC[C@@H]2NCc1cnc2ccccc2n1 ZINC000315536719 1121015087 /nfs/dbraw/zinc/01/50/87/1121015087.db2.gz VYAQBADFWWLVQY-KRWDZBQOSA-N 0 1 289.382 3.797 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@H]1CCCc2nc(C)ncc21 ZINC000766045666 1121019564 /nfs/dbraw/zinc/01/95/64/1121019564.db2.gz UKSDOXPQSQMHNM-WBMJQRKESA-N 0 1 297.402 3.522 20 0 CHADMN CCc1ccc([C@@H](C)NCc2nn(C)c3ccccc23)cc1 ZINC000316559214 1121030039 /nfs/dbraw/zinc/03/00/39/1121030039.db2.gz FFFDSSBCEYAQFR-CQSZACIVSA-N 0 1 293.414 3.987 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000283281310 1121035964 /nfs/dbraw/zinc/03/59/64/1121035964.db2.gz MCKYPATXPPXEEL-SNVBAGLBSA-N 0 1 293.317 3.635 20 0 CHADMN CC1(C)CN(Cc2ccccn2)[C@H]1c1ccccc1 ZINC000674009472 1121037450 /nfs/dbraw/zinc/03/74/50/1121037450.db2.gz JDPPSLBJGBEUOA-INIZCTEOSA-N 0 1 252.361 3.665 20 0 CHADMN Fc1cccc(OC2CCN(CCC(F)(F)F)CC2)c1 ZINC000625628329 1121037513 /nfs/dbraw/zinc/03/75/13/1121037513.db2.gz NXVRJPOVLSQAPK-UHFFFAOYSA-N 0 1 291.288 3.621 20 0 CHADMN Cc1ccc(F)c(CN(C)[C@@H](CCO)c2ccccc2)c1 ZINC000093442327 1128957799 /nfs/dbraw/zinc/95/77/99/1128957799.db2.gz DYHZLTJXZLRWBV-SFHVURJKSA-N 0 1 287.378 3.690 20 0 CHADMN CCCCC[C@H](CC)C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC001127682999 1128957838 /nfs/dbraw/zinc/95/78/38/1128957838.db2.gz HDPGXKMFOQTTQU-JYJNAYRXSA-N 0 1 282.472 3.534 20 0 CHADMN Fc1cccc([C@@H]2CCN2CCOc2ccccc2)c1 ZINC000674011493 1121038235 /nfs/dbraw/zinc/03/82/35/1121038235.db2.gz JXFNVGTXKWSQGE-KRWDZBQOSA-N 0 1 271.335 3.652 20 0 CHADMN C[C@@H](N[C@H](C)c1ccc(Cl)s1)c1cn[nH]c1 ZINC000222456779 1121043322 /nfs/dbraw/zinc/04/33/22/1121043322.db2.gz SEMOXJLEKJUKSC-HTQZYQBOSA-N 0 1 255.774 3.536 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(F)c(Cl)c1 ZINC000222462752 1121043829 /nfs/dbraw/zinc/04/38/29/1121043829.db2.gz DKXASGSUYHAKNO-BDAKNGLRSA-N 0 1 267.735 3.614 20 0 CHADMN C[C@@H]1CN(CCC(=O)c2ccc(F)cc2)C[C@@H](C)C1(F)F ZINC000625652120 1121046423 /nfs/dbraw/zinc/04/64/23/1121046423.db2.gz AVLIGHINGFUMKD-VXGBXAGGSA-N 0 1 299.336 3.622 20 0 CHADMN C[C@H](c1ccc(Br)cc1)N1CC2CC1(C)C2 ZINC001174800545 1121052771 /nfs/dbraw/zinc/05/27/71/1121052771.db2.gz ZWOHNOIJQADNHP-CDWSIMAYSA-N 0 1 280.209 3.994 20 0 CHADMN CN(Cc1nnc(-c2ccccc2)o1)C[C@H]1CC=CCC1 ZINC000344034678 1121059360 /nfs/dbraw/zinc/05/93/60/1121059360.db2.gz FEVXMCIJMHNVRA-AWEZNQCLSA-N 0 1 283.375 3.525 20 0 CHADMN O[C@H](CN1CCCC2(CC2)C1)c1ccccc1C(F)(F)F ZINC000187010019 1121066330 /nfs/dbraw/zinc/06/63/30/1121066330.db2.gz JRHQISPWSHMTRI-CQSZACIVSA-N 0 1 299.336 3.615 20 0 CHADMN C[C@@H]1CN(Cc2nc(C3CC3)cs2)CC(C)(C)C1 ZINC000344056777 1121069472 /nfs/dbraw/zinc/06/94/72/1121069472.db2.gz KEIOFCZSBKKSFL-NSHDSACASA-N 0 1 264.438 3.889 20 0 CHADMN C[C@@H](CNc1ccnc2cc(F)ccc21)c1ccncc1 ZINC000674066930 1121073633 /nfs/dbraw/zinc/07/36/33/1121073633.db2.gz WFMUMKYYPPHMDN-LBPRGKRZSA-N 0 1 281.334 3.985 20 0 CHADMN Cc1ccc(-c2nnc(CN(C)C[C@@H]3CC=CCC3)o2)cc1 ZINC000344079443 1121076466 /nfs/dbraw/zinc/07/64/66/1121076466.db2.gz YKJHLQWMLQXVKH-OAHLLOKOSA-N 0 1 297.402 3.833 20 0 CHADMN CC1(CC(=O)Nc2nc3ccc(F)cc3[nH]2)CCCC1 ZINC000344079560 1121076650 /nfs/dbraw/zinc/07/66/50/1121076650.db2.gz RAXGLCOYPZJUAM-UHFFFAOYSA-N 0 1 275.327 3.611 20 0 CHADMN Cc1nc([C@H](C)N[C@H]2C[C@H](OCC(C)C)C2(C)C)cs1 ZINC000344089793 1121080252 /nfs/dbraw/zinc/08/02/52/1121080252.db2.gz BUOHZYFUQXCREH-CQDKDKBSSA-N 0 1 296.480 3.942 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN(C)C[C@H]1CC1(C)C ZINC001174915771 1121093006 /nfs/dbraw/zinc/09/30/06/1121093006.db2.gz NPZDUMQNBOESBV-GFCCVEGCSA-N 0 1 294.826 3.565 20 0 CHADMN COCc1cccc(CN[C@H](C)c2ccccc2F)c1 ZINC000038010537 1121093395 /nfs/dbraw/zinc/09/33/95/1121093395.db2.gz BAMQZDYWYJNELK-CYBMUJFWSA-N 0 1 273.351 3.823 20 0 CHADMN FC(F)C1(NCc2cnc(-c3ccccc3)[nH]2)CCCC1 ZINC000674135663 1121094290 /nfs/dbraw/zinc/09/42/90/1121094290.db2.gz WMVGFWWCOFAGPV-UHFFFAOYSA-N 0 1 291.345 3.744 20 0 CHADMN FC(F)Oc1cccc(Cl)c1CN[C@H]1CC12CC2 ZINC000643800014 1121099404 /nfs/dbraw/zinc/09/94/04/1121099404.db2.gz PFBWAWRIORCOMI-NSHDSACASA-N 0 1 273.710 3.584 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)Cc1ccc(O)cc1 ZINC000674283759 1121111946 /nfs/dbraw/zinc/11/19/46/1121111946.db2.gz DZLCHGHLZYXEGZ-LBPRGKRZSA-N 0 1 259.324 3.724 20 0 CHADMN CN(Cc1cc2ccccc2s1)Cc1cccn1C ZINC000093584427 1128963488 /nfs/dbraw/zinc/96/34/88/1128963488.db2.gz ZMHFYNJPVHKAIA-UHFFFAOYSA-N 0 1 270.401 3.872 20 0 CHADMN Cc1nn(C)c(Cl)c1CN(C)C1CCC(C)(C)CC1 ZINC000094859513 1121119118 /nfs/dbraw/zinc/11/91/18/1121119118.db2.gz WHCLJXZOFPUONP-UHFFFAOYSA-N 0 1 283.847 3.783 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2noc(-c3ccsc3)n2)C1 ZINC000344213937 1121122450 /nfs/dbraw/zinc/12/24/50/1121122450.db2.gz OPGJRKDORCOGRB-GFCCVEGCSA-N 0 1 291.420 3.666 20 0 CHADMN C[C@H](N[C@@H]1COCc2ccccc21)c1cc2cnccc2o1 ZINC000658038219 1121123734 /nfs/dbraw/zinc/12/37/34/1121123734.db2.gz NQSYCEVTJYAKBS-BLLLJJGKSA-N 0 1 294.354 3.750 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cn3ccccc3n2)c2ccccc21 ZINC000344224629 1121125087 /nfs/dbraw/zinc/12/50/87/1121125087.db2.gz QVJWVRDCIDXIKM-CXAGYDPISA-N 0 1 277.371 3.672 20 0 CHADMN CCO[C@H]1C[C@H](N(C)Cc2cnc(C3CC3)s2)C1(C)C ZINC000093605420 1128964468 /nfs/dbraw/zinc/96/44/68/1128964468.db2.gz WSUCQEORLIGGOM-KBPBESRZSA-N 0 1 294.464 3.656 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(F)c(C)c2)sn1 ZINC000638733535 1121132747 /nfs/dbraw/zinc/13/27/47/1121132747.db2.gz HPYDTHCNWYKPLB-LLVKDONJSA-N 0 1 264.369 3.750 20 0 CHADMN COc1ccccc1CNCc1ccc2cnccc2c1 ZINC000234886442 1121133826 /nfs/dbraw/zinc/13/38/26/1121133826.db2.gz DURWYUDWBBRVOX-UHFFFAOYSA-N 0 1 278.355 3.533 20 0 CHADMN CC(C)[C@@H](NCc1sccc1Cl)c1cnn(C)c1 ZINC000922892249 1121134071 /nfs/dbraw/zinc/13/40/71/1121134071.db2.gz BFEODZNGERHIEA-CYBMUJFWSA-N 0 1 283.828 3.622 20 0 CHADMN C[C@H](CCC1CC1)NCc1csc(C(F)(F)F)n1 ZINC000893649479 1121137731 /nfs/dbraw/zinc/13/77/31/1121137731.db2.gz TXHIHEFOQIZWRF-MRVPVSSYSA-N 0 1 278.343 3.830 20 0 CHADMN O=C(CCc1ccsc1)Nc1cccc(Cl)c1O ZINC000172109641 1121139416 /nfs/dbraw/zinc/13/94/16/1121139416.db2.gz SNWFNVRHNXJPCP-UHFFFAOYSA-N 0 1 281.764 3.678 20 0 CHADMN CC[C@](C)(NC(=O)c1n[nH]c2ccccc21)c1ccccc1 ZINC000261460793 1121141802 /nfs/dbraw/zinc/14/18/02/1121141802.db2.gz VOHCGZIITTXYJU-SFHVURJKSA-N 0 1 293.370 3.618 20 0 CHADMN C[C@H](c1ccccn1)N(C)Cc1cc2ccccc2[nH]1 ZINC000674505808 1121142291 /nfs/dbraw/zinc/14/22/91/1121142291.db2.gz UFVDVWMUVTWTIC-CYBMUJFWSA-N 0 1 265.360 3.756 20 0 CHADMN Cc1cccc(CCCN2Cc3ccc(O)cc3C2)c1 ZINC000625728094 1121147774 /nfs/dbraw/zinc/14/77/74/1121147774.db2.gz UWFSKMJWRFWOOW-UHFFFAOYSA-N 0 1 267.372 3.649 20 0 CHADMN CCc1ccc(CN[C@H](C)c2nc3ccccc3n2C)cc1 ZINC000172390016 1121148262 /nfs/dbraw/zinc/14/82/62/1121148262.db2.gz AJTFXCBOQBVEEB-CQSZACIVSA-N 0 1 293.414 3.987 20 0 CHADMN Oc1ccc(Nc2ccncc2Oc2ccccc2)cc1 ZINC001175040029 1121154995 /nfs/dbraw/zinc/15/49/95/1121154995.db2.gz ZWXARVNAMTYXMZ-UHFFFAOYSA-N 0 1 278.311 3.745 20 0 CHADMN Cc1nc2ccccc2nc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000265163178 1121174978 /nfs/dbraw/zinc/17/49/78/1121174978.db2.gz WMRHSUXSUSAJRL-SFHVURJKSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1cc2cc(NC(=O)c3[nH]cnc3C(C)(C)C)ccc2[nH]1 ZINC000630716532 1128967625 /nfs/dbraw/zinc/96/76/25/1128967625.db2.gz WANUUOROORWWIO-UHFFFAOYSA-N 0 1 296.374 3.749 20 0 CHADMN CCOc1cc(CN(CC)CCC(F)(F)F)ccc1O ZINC000674756903 1121177072 /nfs/dbraw/zinc/17/70/72/1121177072.db2.gz PPABDZJUBMFMQI-UHFFFAOYSA-N 0 1 291.313 3.565 20 0 CHADMN Clc1cccc(-c2nc(CN3CC[C@H]4C[C@H]4C3)co2)c1 ZINC000661970073 1121178191 /nfs/dbraw/zinc/17/81/91/1121178191.db2.gz DNPBDPLPEGZCIZ-AAEUAGOBSA-N 0 1 288.778 3.837 20 0 CHADMN C[C@H]1OCCN(Cc2ccc(C3CCC3)cc2)[C@H]1C ZINC000351599082 1121184230 /nfs/dbraw/zinc/18/42/30/1121184230.db2.gz AVWRUWGBMGVBQB-UONOGXRCSA-N 0 1 259.393 3.563 20 0 CHADMN CCOc1ccc(Nc2nnc(C(C)C)o2)c(F)c1F ZINC001175151491 1121185199 /nfs/dbraw/zinc/18/51/99/1121185199.db2.gz YPYBJZTZKLSJOY-UHFFFAOYSA-N 0 1 283.278 3.614 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)Cc1cccc(N)c1 ZINC000062012700 1121185440 /nfs/dbraw/zinc/18/54/40/1121185440.db2.gz JQOGZCMRKPGLAF-LBPRGKRZSA-N 0 1 258.340 3.601 20 0 CHADMN Cc1noc(C(C)C)c1C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000344478725 1121190524 /nfs/dbraw/zinc/19/05/24/1121190524.db2.gz BECQBTKZIQMAFF-UHFFFAOYSA-N 0 1 298.346 3.543 20 0 CHADMN CCN[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000062797866 1121191687 /nfs/dbraw/zinc/19/16/87/1121191687.db2.gz JXJFAWUWBZFIMY-MRXNPFEDSA-N 0 1 252.317 3.527 20 0 CHADMN COc1cccc([C@@H](C)N2CCOc3ccc(C)cc3C2)c1 ZINC000512212660 1121201179 /nfs/dbraw/zinc/20/11/79/1121201179.db2.gz MLLNOEBNPCTPPJ-OAHLLOKOSA-N 0 1 297.398 3.959 20 0 CHADMN CC(C)(C)c1nnc(Nc2c(F)cc(F)cc2F)s1 ZINC001175145543 1121201947 /nfs/dbraw/zinc/20/19/47/1121201947.db2.gz OGPNBBBAESTCKN-UHFFFAOYSA-N 0 1 287.310 3.997 20 0 CHADMN C[C@H]1CN(Cc2cccc3nsnc32)[C@@H]1c1ccccc1 ZINC000766085279 1121204267 /nfs/dbraw/zinc/20/42/67/1121204267.db2.gz RZDPOBTYMKUBIB-SJCJKPOMSA-N 0 1 295.411 3.884 20 0 CHADMN Clc1ncc(CN2CCCC3(CC3)CC2)s1 ZINC000702580091 1121206219 /nfs/dbraw/zinc/20/62/19/1121206219.db2.gz LLWBMZCNGSMFME-UHFFFAOYSA-N 0 1 256.802 3.563 20 0 CHADMN Cc1nn(C(C)C)cc1CN1CCC[C@@H]1c1cccnc1 ZINC000348934867 1121208137 /nfs/dbraw/zinc/20/81/37/1121208137.db2.gz ODLMHZFHJFHLTB-QGZVFWFLSA-N 0 1 284.407 3.505 20 0 CHADMN Cc1ccc(C)c(Nc2cccc(N3CCN(C)CC3)c2)c1 ZINC001175164271 1121211263 /nfs/dbraw/zinc/21/12/63/1121211263.db2.gz CDMBTBAKDXTSPW-UHFFFAOYSA-N 0 1 295.430 3.799 20 0 CHADMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1noc2c1CCCC2 ZINC000675127512 1121221321 /nfs/dbraw/zinc/22/13/21/1121221321.db2.gz UNWCWZMEPSHYBV-AWEZNQCLSA-N 0 1 276.424 3.954 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(OCC(C)C)cc2)[nH]n1 ZINC000675156835 1121226190 /nfs/dbraw/zinc/22/61/90/1121226190.db2.gz IGMHCRZCSJHVHO-AWEZNQCLSA-N 0 1 287.407 3.604 20 0 CHADMN COc1ccc([C@H](C)NCc2cscc2C)c(OC)c1 ZINC000094877602 1121237671 /nfs/dbraw/zinc/23/76/71/1121237671.db2.gz HQQNYIZTQLUXTO-LBPRGKRZSA-N 0 1 291.416 3.925 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(CC(C)C)cc1 ZINC000094904669 1121243472 /nfs/dbraw/zinc/24/34/72/1121243472.db2.gz JRGNSOHSTPSYOH-AWEZNQCLSA-N 0 1 277.408 3.570 20 0 CHADMN COc1ccccc1C(C)(C)CNc1cc(C)ccn1 ZINC000675286269 1121243626 /nfs/dbraw/zinc/24/36/26/1121243626.db2.gz QLEZZXDTDXRTAW-UHFFFAOYSA-N 0 1 270.376 3.788 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCCC[C@@H]1c1ccccc1 ZINC000436785247 1121244701 /nfs/dbraw/zinc/24/47/01/1121244701.db2.gz TUCUGKYZCQEENL-OAHLLOKOSA-N 0 1 299.345 3.899 20 0 CHADMN Cc1cc(Nc2cccc(N3CCN(C)CC3)c2)ccc1F ZINC001175250489 1121247111 /nfs/dbraw/zinc/24/71/11/1121247111.db2.gz CLFXQMCMFOZDSZ-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN COc1cc(Nc2cccc(SC)c2)ncc1C ZINC001175287433 1121254676 /nfs/dbraw/zinc/25/46/76/1121254676.db2.gz BCIOSHVNYHHJIR-UHFFFAOYSA-N 0 1 260.362 3.864 20 0 CHADMN Cn1ccc(CN[C@@H](c2cccs2)C2CCCC2)n1 ZINC000112341875 1121255372 /nfs/dbraw/zinc/25/53/72/1121255372.db2.gz SZMQYIXYJRBBML-OAHLLOKOSA-N 0 1 275.421 3.503 20 0 CHADMN CN(Cc1ccoc1)[C@H]1CCCc2ccc(F)cc21 ZINC000337980225 1121264318 /nfs/dbraw/zinc/26/43/18/1121264318.db2.gz LYSKAGJFOQHKAO-INIZCTEOSA-N 0 1 259.324 3.928 20 0 CHADMN CCC(N)=NOCc1ccc(-c2cccs2)cc1 ZINC000766114030 1121266125 /nfs/dbraw/zinc/26/61/25/1121266125.db2.gz NDVJCMSAGLVQHI-UHFFFAOYSA-N 0 1 260.362 3.824 20 0 CHADMN CCOc1cc(Nc2cnc3cccc(C)n23)ccc1OC ZINC001212540547 1121270472 /nfs/dbraw/zinc/27/04/72/1121270472.db2.gz ISIRUAQOKAXYRO-UHFFFAOYSA-N 0 1 297.358 3.794 20 0 CHADMN Oc1cccc(Nc2ccncc2Oc2ccccc2)c1F ZINC001212545655 1121275469 /nfs/dbraw/zinc/27/54/69/1121275469.db2.gz KOKLBBFFXAULKX-UHFFFAOYSA-N 0 1 296.301 3.884 20 0 CHADMN CCS[C@H]1CC[C@H](N(C)Cc2noc3c2CCCC3)C1 ZINC000174353204 1121282061 /nfs/dbraw/zinc/28/20/61/1121282061.db2.gz IWZQMZRNRODIKC-STQMWFEESA-N 0 1 294.464 3.659 20 0 CHADMN Cc1cccn2c(CNC3(c4cccc(F)c4)CC3)cnc12 ZINC000174420948 1121285019 /nfs/dbraw/zinc/28/50/19/1121285019.db2.gz SCILKCVHLBXERG-UHFFFAOYSA-N 0 1 295.361 3.561 20 0 CHADMN FC(F)c1ccc(CN[C@@H]2CCCc3occc32)cn1 ZINC000631039377 1128980129 /nfs/dbraw/zinc/98/01/29/1128980129.db2.gz HUQJDHPTJLPRJC-GFCCVEGCSA-N 0 1 278.302 3.779 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1c(Cl)ccc(F)c1F ZINC001213943363 1121303136 /nfs/dbraw/zinc/30/31/36/1121303136.db2.gz ZQRMEICIHSAFFH-UHFFFAOYSA-N 0 1 293.704 3.848 20 0 CHADMN CCc1ccc(C)nc1NCc1ccc(C(F)F)nc1 ZINC000630954231 1128976846 /nfs/dbraw/zinc/97/68/46/1128976846.db2.gz GMWNUOCQYYZCGK-UHFFFAOYSA-N 0 1 277.318 3.897 20 0 CHADMN CCCCOc1ccc(F)cc1Nc1c(C)ncn1C ZINC001211718909 1121308345 /nfs/dbraw/zinc/30/83/45/1121308345.db2.gz NFHFKQQTKCTTFI-UHFFFAOYSA-N 0 1 277.343 3.790 20 0 CHADMN CN(Cc1ccc(C(F)(F)F)s1)C[C@H]1CCCCO1 ZINC000432753413 1121321587 /nfs/dbraw/zinc/32/15/87/1121321587.db2.gz UPZPASOUMWYVHQ-SNVBAGLBSA-N 0 1 293.354 3.768 20 0 CHADMN Fc1cc(CN2CC[C@H]3CSC[C@@H]3C2)ccc1Cl ZINC001175444662 1121326935 /nfs/dbraw/zinc/32/69/35/1121326935.db2.gz MFBZWUYUZYTUNH-RYUDHWBXSA-N 0 1 285.815 3.664 20 0 CHADMN Fc1cc(CN2CC[C@H]3CSC[C@H]3C2)ccc1Cl ZINC001175444661 1121326991 /nfs/dbraw/zinc/32/69/91/1121326991.db2.gz MFBZWUYUZYTUNH-NWDGAFQWSA-N 0 1 285.815 3.664 20 0 CHADMN Cc1nc2ccc(NC(=N)C(C)(C)C)nc2n1C(C)C ZINC001162657926 1121328362 /nfs/dbraw/zinc/32/83/62/1121328362.db2.gz WAXGINMIXKWFPM-UHFFFAOYSA-N 0 1 273.384 3.756 20 0 CHADMN Cc1nc2cc(Nc3ccc(CO)cc3Cl)ccc2[nH]1 ZINC001213077129 1121328439 /nfs/dbraw/zinc/32/84/39/1121328439.db2.gz HGHNFVSBGPYIFG-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN CC1(c2cc(=O)n(Cc3c(Cl)cccc3Cl)[nH]2)CC1 ZINC000634630054 1128977982 /nfs/dbraw/zinc/97/79/82/1128977982.db2.gz LBLAHNMRRHOCAU-UHFFFAOYSA-N 0 1 297.185 3.882 20 0 CHADMN C[C@@H](c1ccncc1)N1CCOC2(C1)CCCCCC2 ZINC000675642169 1121330686 /nfs/dbraw/zinc/33/06/86/1121330686.db2.gz YFZYFQONZVJYNT-HNNXBMFYSA-N 0 1 274.408 3.568 20 0 CHADMN CCc1cccc(O)c1Nc1ccc2[nH]c(C)nc2c1 ZINC001213077237 1121333429 /nfs/dbraw/zinc/33/34/29/1121333429.db2.gz NDERFNWLHIWYEF-UHFFFAOYSA-N 0 1 267.332 3.883 20 0 CHADMN C[C@H](NCc1ccc(F)cc1F)c1ccc2n[nH]cc2c1 ZINC000353114790 1121337361 /nfs/dbraw/zinc/33/73/61/1121337361.db2.gz WVYFDXMLZKJOGF-JTQLQIEISA-N 0 1 287.313 3.692 20 0 CHADMN Cc1ncc(CN2CCc3ccccc3[C@@H]2C(C)C)cn1 ZINC000675663891 1121339688 /nfs/dbraw/zinc/33/96/88/1121339688.db2.gz RSROGSMYFLTSQO-SFHVURJKSA-N 0 1 281.403 3.540 20 0 CHADMN CC[C@H](NCc1ccnn1CC)c1cccc(Cl)c1 ZINC000125199425 1121343939 /nfs/dbraw/zinc/34/39/39/1121343939.db2.gz RCRLDIBGOGAMEH-HNNXBMFYSA-N 0 1 277.799 3.797 20 0 CHADMN CC[C@H]1CO[C@@H](C)CN1CCSc1ccc(Cl)cc1 ZINC000675722261 1121348456 /nfs/dbraw/zinc/34/84/56/1121348456.db2.gz IOLIPTUTYCAIHM-JSGCOSHPSA-N 0 1 299.867 3.931 20 0 CHADMN Cc1cccc(NC(=O)CN[C@@H](C)c2ccsc2)c1C ZINC000675727301 1121349491 /nfs/dbraw/zinc/34/94/91/1121349491.db2.gz TZVOGKCRHKRPNF-ZDUSSCGKSA-N 0 1 288.416 3.654 20 0 CHADMN CCOCc1ccc(CNCc2ccc(C)cc2F)cc1 ZINC000631039033 1128979754 /nfs/dbraw/zinc/97/97/54/1128979754.db2.gz BCQIRESLFQSYNI-UHFFFAOYSA-N 0 1 287.378 3.960 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H]2CSCc3ccccc32)c(C)n1 ZINC000675782381 1121361154 /nfs/dbraw/zinc/36/11/54/1121361154.db2.gz GHCTVAOETGWQCF-PXAZEXFGSA-N 0 1 299.443 3.732 20 0 CHADMN CC1(CC(F)(F)F)CN(Cc2ccc3[nH]ccc3c2)C1 ZINC000628308197 1121361258 /nfs/dbraw/zinc/36/12/58/1121361258.db2.gz ZXFSBVOXAZUYCW-UHFFFAOYSA-N 0 1 282.309 3.942 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccnn1C1CCC1 ZINC001175524973 1121364467 /nfs/dbraw/zinc/36/44/67/1121364467.db2.gz ZNLMYWVWTUGPMJ-UHFFFAOYSA-N 0 1 267.336 3.536 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2c(c1)C(=O)CC2 ZINC001175525379 1121365547 /nfs/dbraw/zinc/36/55/47/1121365547.db2.gz DDNNRWROQBPEDS-UHFFFAOYSA-N 0 1 277.327 3.744 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2c(=O)[nH]ccc12 ZINC001175525954 1121366328 /nfs/dbraw/zinc/36/63/28/1121366328.db2.gz KMOXRGXAODUCHI-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN COc1cccc(F)c1Nc1c2cn[nH]c2ccc1C ZINC001175525821 1121366890 /nfs/dbraw/zinc/36/68/90/1121366890.db2.gz GZPXIKATSDRTBH-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc(Cl)n1 ZINC001175526087 1121368146 /nfs/dbraw/zinc/36/81/46/1121368146.db2.gz UMXUFLABQBMDLO-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN CC(=O)c1ccc(Nc2c3cn[nH]c3ccc2C)cc1O ZINC001175526404 1121368235 /nfs/dbraw/zinc/36/82/35/1121368235.db2.gz OSJYKZFPHRIHJW-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN Cc1ccc2[nH]ncc2c1N1c2ccc(N)cc2CC[C@@H]1C ZINC001175526677 1121368340 /nfs/dbraw/zinc/36/83/40/1121368340.db2.gz ZCZLQCHUWISLSE-LBPRGKRZSA-N 0 1 292.386 3.926 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(Cl)cn1 ZINC001175526075 1121368581 /nfs/dbraw/zinc/36/85/81/1121368581.db2.gz TZNHOOHVDCLXMB-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1nc2ccc(F)cc2o1 ZINC001175526007 1121369705 /nfs/dbraw/zinc/36/97/05/1121369705.db2.gz QVKFHNBHAIKQEO-UHFFFAOYSA-N 0 1 282.278 3.895 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2c(c1)N(C)CC2 ZINC001175527504 1121370028 /nfs/dbraw/zinc/37/00/28/1121370028.db2.gz LNGYOVLSJDTKDO-UHFFFAOYSA-N 0 1 278.359 3.607 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc2cnoc2c1 ZINC001175527635 1121370267 /nfs/dbraw/zinc/37/02/67/1121370267.db2.gz SNPDVSLHECPQBO-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cc(O)ccc1Cl ZINC001175527455 1121371689 /nfs/dbraw/zinc/37/16/89/1121371689.db2.gz OFDJGNJEWCRJRX-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN CCc1ccc(Br)cc1NC1=CCCN(C)C1 ZINC001175582391 1121372884 /nfs/dbraw/zinc/37/28/84/1121372884.db2.gz AJCRYNYPYKFZSP-UHFFFAOYSA-N 0 1 295.224 3.643 20 0 CHADMN CN1CCCC(=Nc2c(F)cc(Cl)cc2Cl)C1 ZINC001175582959 1121374098 /nfs/dbraw/zinc/37/40/98/1121374098.db2.gz SEAIMJXZSAYGNV-UHFFFAOYSA-N 0 1 275.154 3.764 20 0 CHADMN Cc1cc(CN[C@@H]2CCSc3c(Cl)cccc32)[nH]n1 ZINC000675893540 1121376195 /nfs/dbraw/zinc/37/61/95/1121376195.db2.gz OFTBPAWHHDEEMT-CYBMUJFWSA-N 0 1 293.823 3.698 20 0 CHADMN Cc1cc(CN[C@@H]2CCSc3c(Cl)cccc32)n[nH]1 ZINC000675893540 1121376204 /nfs/dbraw/zinc/37/62/04/1121376204.db2.gz OFTBPAWHHDEEMT-CYBMUJFWSA-N 0 1 293.823 3.698 20 0 CHADMN C[C@@H](CF)NCc1ccc(OCc2ccccc2)cc1 ZINC000644892706 1121376496 /nfs/dbraw/zinc/37/64/96/1121376496.db2.gz GHGRFKSVOUEWAC-AWEZNQCLSA-N 0 1 273.351 3.713 20 0 CHADMN CC[N@@H+](Cc1nccn1C1CC1)[C@H](C)Cc1ccsc1 ZINC000893720203 1121380840 /nfs/dbraw/zinc/38/08/40/1121380840.db2.gz WQFHKCXOKUWULO-CYBMUJFWSA-N 0 1 289.448 3.733 20 0 CHADMN CCN(Cc1nccn1C1CC1)[C@H](C)Cc1ccsc1 ZINC000893720203 1121380845 /nfs/dbraw/zinc/38/08/45/1121380845.db2.gz WQFHKCXOKUWULO-CYBMUJFWSA-N 0 1 289.448 3.733 20 0 CHADMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)C1CC1 ZINC000432821024 1121386218 /nfs/dbraw/zinc/38/62/18/1121386218.db2.gz VJOAWFQSMXYUQI-VXGBXAGGSA-N 0 1 278.444 3.501 20 0 CHADMN Cc1c(NC2=CCCN(C)C2)cccc1C(F)(F)F ZINC001175575930 1121393148 /nfs/dbraw/zinc/39/31/48/1121393148.db2.gz DQCIYIQPZRNDCC-UHFFFAOYSA-N 0 1 270.298 3.645 20 0 CHADMN C(=C/c1ccccc1)\CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000675976682 1121395246 /nfs/dbraw/zinc/39/52/46/1121395246.db2.gz QKTQWMXZYYPPSH-RMKNXTFCSA-N 0 1 289.382 3.676 20 0 CHADMN C[C@@H](NCc1ccc(C(F)F)nc1)c1cccc(O)c1 ZINC000631065404 1128982541 /nfs/dbraw/zinc/98/25/41/1128982541.db2.gz RFEZUMQHRFRHIM-SNVBAGLBSA-N 0 1 278.302 3.576 20 0 CHADMN FC(F)c1ccc(CNC2(c3ccccc3)CC2)cn1 ZINC000631069526 1128982619 /nfs/dbraw/zinc/98/26/19/1128982619.db2.gz TYXYIAZNRPCKMY-UHFFFAOYSA-N 0 1 274.314 3.798 20 0 CHADMN CCOc1ccc(-c2cc([C@@H](N)C(C)(C)C)on2)cc1 ZINC000705366819 1121402670 /nfs/dbraw/zinc/40/26/70/1121402670.db2.gz ZJNCLPPFCSGSOY-OAHLLOKOSA-N 0 1 274.364 3.786 20 0 CHADMN c1cc2c(s1)CC[C@@H]2Nc1ccc2c(n1)CCC2 ZINC001162765932 1121405193 /nfs/dbraw/zinc/40/51/93/1121405193.db2.gz GRSCUPGDQVWRMJ-ZDUSSCGKSA-N 0 1 256.374 3.731 20 0 CHADMN CC(C)(CNC(=O)c1cccc2nc[nH]c21)C1CCCC1 ZINC000512518921 1121408403 /nfs/dbraw/zinc/40/84/03/1121408403.db2.gz DAZSEIMNEWDMHA-UHFFFAOYSA-N 0 1 285.391 3.509 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H]2COc3ccccc32)c(C)s1 ZINC000676145466 1121408987 /nfs/dbraw/zinc/40/89/87/1121408987.db2.gz IAMGOIHYIYKODY-ZWNOBZJWSA-N 0 1 288.416 3.587 20 0 CHADMN CC[C@H](NCc1cncc(Cl)c1)c1ccccc1OC ZINC000705692114 1121409595 /nfs/dbraw/zinc/40/95/95/1121409595.db2.gz SQYZBJSVOCMUAP-HNNXBMFYSA-N 0 1 290.794 3.985 20 0 CHADMN CSc1ccc(Nc2c(C)nc3ccc(F)cn32)cn1 ZINC001175652967 1121410185 /nfs/dbraw/zinc/41/01/85/1121410185.db2.gz IZODUEVUCMWVIS-UHFFFAOYSA-N 0 1 288.351 3.642 20 0 CHADMN Cc1cc(Nc2ccc3n[nH]c(C)c3c2)n(C(C)C)n1 ZINC001175695532 1121414428 /nfs/dbraw/zinc/41/44/28/1121414428.db2.gz JYCRZMRRZQYYEJ-UHFFFAOYSA-N 0 1 269.352 3.701 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(Cl)nnc3Cl)cc12 ZINC001175694846 1121415019 /nfs/dbraw/zinc/41/50/19/1121415019.db2.gz AEECPBNLZGMXOP-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(Cl)c4nccn4c3)cc12 ZINC001175693549 1121415042 /nfs/dbraw/zinc/41/50/42/1121415042.db2.gz CURJMTFFRRACIO-UHFFFAOYSA-N 0 1 297.749 3.916 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@H]1CCc2c1cccc2F ZINC000147753926 1121415386 /nfs/dbraw/zinc/41/53/86/1121415386.db2.gz OVKDQTOFRQIMMP-PSLIRLAXSA-N 0 1 274.339 3.769 20 0 CHADMN Cc1cnn(C2CCC2)c1Nc1ccc2n[nH]c(C)c2c1 ZINC001175698578 1121416000 /nfs/dbraw/zinc/41/60/00/1121416000.db2.gz AHDNBRNCTDCETP-UHFFFAOYSA-N 0 1 281.363 3.845 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc(Cl)n3)cc12 ZINC001175696363 1121416487 /nfs/dbraw/zinc/41/64/87/1121416487.db2.gz VOXHYUUZWFGQGU-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4[nH]c(=O)sc4c3)cc12 ZINC001175699127 1121416612 /nfs/dbraw/zinc/41/66/12/1121416612.db2.gz IORAEFOFLPZYPF-UHFFFAOYSA-N 0 1 296.355 3.930 20 0 CHADMN COc1cc(Nc2ccc3n[nH]c(C)c3c2)cc(OC)c1 ZINC001175699338 1121416748 /nfs/dbraw/zinc/41/67/48/1121416748.db2.gz NLOKTNHEOZDUPV-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(N4CCCC4)nc3)cc21 ZINC001175699905 1121417558 /nfs/dbraw/zinc/41/75/58/1121417558.db2.gz VXTFXVZQFMARRO-UHFFFAOYSA-N 0 1 293.374 3.610 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cnc(C4CC4)s3)cc12 ZINC001175699506 1121417623 /nfs/dbraw/zinc/41/76/23/1121417623.db2.gz QVMXTMGWEAPJQL-UHFFFAOYSA-N 0 1 270.361 3.949 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(Cl)c(F)cc3N)cc12 ZINC001175699762 1121417826 /nfs/dbraw/zinc/41/78/26/1121417826.db2.gz RJIQUQVXYVEPRI-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN COc1ccc(Nc2ccc3n[nH]c(C)c3c2)cc1OC ZINC001175700684 1121417914 /nfs/dbraw/zinc/41/79/14/1121417914.db2.gz RPDSNTSPSARSOK-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN CC1(c2ccccc2-c2nc(C3(N)CCCC3)no2)CC1 ZINC000900005570 1121418879 /nfs/dbraw/zinc/41/88/79/1121418879.db2.gz JZFKGLRWMCPBCP-UHFFFAOYSA-N 0 1 283.375 3.516 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cc(Cl)cc(CO)c3)cc12 ZINC001175701403 1121419740 /nfs/dbraw/zinc/41/97/40/1121419740.db2.gz BCJVMPDYBIWUKY-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4c(c3)N(C)CC4)cc21 ZINC001175701797 1121419793 /nfs/dbraw/zinc/41/97/93/1121419793.db2.gz KAYNWFZWFWZBNF-UHFFFAOYSA-N 0 1 278.359 3.607 20 0 CHADMN COCc1ccc(Nc2ccc3n[nH]c(C)c3c2)cc1F ZINC001175701445 1121419871 /nfs/dbraw/zinc/41/98/71/1121419871.db2.gz DGIOQWWPUPIPPX-UHFFFAOYSA-N 0 1 285.322 3.900 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc4cnoc4c3)cc12 ZINC001175702597 1121420618 /nfs/dbraw/zinc/42/06/18/1121420618.db2.gz QDOQVSRPLNYGAQ-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(Cl)cnc3C)ccc12 ZINC001175656866 1121422262 /nfs/dbraw/zinc/42/22/62/1121422262.db2.gz KPTNYAVMIQDAAU-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN CSc1ccccc1NCc1ccc2nc[nH]c2c1 ZINC000676316494 1121423002 /nfs/dbraw/zinc/42/30/02/1121423002.db2.gz NQUDJDYRUWSJHK-UHFFFAOYSA-N 0 1 269.373 3.897 20 0 CHADMN CCc1ccccc1NCc1[nH]nc2ccccc21 ZINC000676315650 1121423385 /nfs/dbraw/zinc/42/33/85/1121423385.db2.gz KHTUCAXKIKYPCK-UHFFFAOYSA-N 0 1 251.333 3.737 20 0 CHADMN Cc1[nH]nc2cc(Nc3cncc(N4CCCC4)c3)ccc21 ZINC001175660899 1121424369 /nfs/dbraw/zinc/42/43/69/1121424369.db2.gz YJEZKWHRNIVLGQ-UHFFFAOYSA-N 0 1 293.374 3.610 20 0 CHADMN CCc1cccc(Nc2ccc3c(c2)n[nH]c3C)n1 ZINC001175660514 1121424421 /nfs/dbraw/zinc/42/44/21/1121424421.db2.gz QJMUFOVZBWHTSN-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN Cc1[nH]nc2cc(Nc3ncc(Cl)cc3F)ccc12 ZINC001175659867 1121424507 /nfs/dbraw/zinc/42/45/07/1121424507.db2.gz QCPLPXWCCHQINV-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1[nH]nc2cc(Nc3cc(F)ccc3F)ccc12 ZINC001175661216 1121424627 /nfs/dbraw/zinc/42/46/27/1121424627.db2.gz FOLAQCVTAQHLBV-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1cn2cccc(Nc3ccc4c(C)[nH]nc4c3)c2n1 ZINC001175660334 1121424678 /nfs/dbraw/zinc/42/46/78/1121424678.db2.gz WHCMHZADJUEVQZ-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccccc3-n3ccnc3)ccc12 ZINC001175661147 1121424859 /nfs/dbraw/zinc/42/48/59/1121424859.db2.gz AQKRUFWVUOUJIO-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Fc1ccc(OC(F)(F)F)cc1CN1CCCCC1 ZINC001143534325 1121424994 /nfs/dbraw/zinc/42/49/94/1121424994.db2.gz QICLEPYQHDHOSB-UHFFFAOYSA-N 0 1 277.261 3.710 20 0 CHADMN CC(=O)N(C)c1ccc(Nc2ccc3c(C)[nH]nc3c2)cc1 ZINC001175662550 1121425794 /nfs/dbraw/zinc/42/57/94/1121425794.db2.gz RFCGLRIMOXHPQS-UHFFFAOYSA-N 0 1 294.358 3.598 20 0 CHADMN CCN(c1ccc2c(C)[nH]nc2c1)c1ccccc1N ZINC001175662377 1121425828 /nfs/dbraw/zinc/42/58/28/1121425828.db2.gz JLGFBOAQLLSBJP-UHFFFAOYSA-N 0 1 266.348 3.612 20 0 CHADMN COc1c(F)cccc1CN1C2CCCC1CCC2 ZINC001143537069 1121425972 /nfs/dbraw/zinc/42/59/72/1121425972.db2.gz NYNXTADPRUBXQH-UHFFFAOYSA-N 0 1 263.356 3.741 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc([C@H](C)O)cc3)ccc12 ZINC001175662493 1121426104 /nfs/dbraw/zinc/42/61/04/1121426104.db2.gz OSWNYWYPWKICIA-NSHDSACASA-N 0 1 267.332 3.668 20 0 CHADMN COc1ccc(F)cc1Nc1ccc2c(C)[nH]nc2c1 ZINC001175662329 1121426421 /nfs/dbraw/zinc/42/64/21/1121426421.db2.gz GWZAIUMHLXHCII-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc(C4OCCO4)c3)ccc21 ZINC001175662289 1121426462 /nfs/dbraw/zinc/42/64/62/1121426462.db2.gz DFFJXLWMCHUHLJ-UHFFFAOYSA-N 0 1 295.342 3.660 20 0 CHADMN COc1cc(Nc2ccc3c(c2)n[nH]c3C)cc(OC)c1 ZINC001175662034 1121426499 /nfs/dbraw/zinc/42/64/99/1121426499.db2.gz ZQMLJXVHCJWEIH-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN CC[N@@H+](Cc1cc(OC(F)(F)F)ccc1F)C1CC1 ZINC001143537736 1121427291 /nfs/dbraw/zinc/42/72/91/1121427291.db2.gz ALYDALMJIOVLGC-UHFFFAOYSA-N 0 1 277.261 3.709 20 0 CHADMN CCN(Cc1cc(OC(F)(F)F)ccc1F)C1CC1 ZINC001143537736 1121427292 /nfs/dbraw/zinc/42/72/92/1121427292.db2.gz ALYDALMJIOVLGC-UHFFFAOYSA-N 0 1 277.261 3.709 20 0 CHADMN COC(=O)c1cc(F)cc(Nc2ccc3c(C)[nH]nc3c2)c1 ZINC001175663344 1121427380 /nfs/dbraw/zinc/42/73/80/1121427380.db2.gz XSNYIBSSGUHICV-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN COc1ccc(Nc2ccc3c(c2)n[nH]c3C)c(OC)c1 ZINC001175663191 1121427654 /nfs/dbraw/zinc/42/76/54/1121427654.db2.gz UXWILOQBXYUZPY-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN Cc1[nH]nc2cc(-n3ccc4c3cc(F)cc4N)ccc12 ZINC001175664957 1121427747 /nfs/dbraw/zinc/42/77/47/1121427747.db2.gz JKQPRYPTCQKYRT-UHFFFAOYSA-N 0 1 280.306 3.537 20 0 CHADMN COCc1ccc(Nc2ccc3c(C)[nH]nc3c2)cc1F ZINC001175662838 1121427992 /nfs/dbraw/zinc/42/79/92/1121427992.db2.gz GBLQJKOJAJBGAN-UHFFFAOYSA-N 0 1 285.322 3.900 20 0 CHADMN Cc1scc(CN[C@@H](CO)c2ccc(Cl)cc2)c1C ZINC000631105282 1128985362 /nfs/dbraw/zinc/98/53/62/1128985362.db2.gz MMLFFHNMUMYSQN-HNNXBMFYSA-N 0 1 295.835 3.842 20 0 CHADMN Cc1[nH]nc2ccc(Nc3nnc(C(C)(C)C)s3)cc21 ZINC001175692725 1121435075 /nfs/dbraw/zinc/43/50/75/1121435075.db2.gz HKELFISQTUJYSW-UHFFFAOYSA-N 0 1 287.392 3.764 20 0 CHADMN Cc1scc(CNCc2ccc(Cl)cn2)c1C ZINC000631108302 1128985041 /nfs/dbraw/zinc/98/50/41/1128985041.db2.gz NTZGMRVEAOURMI-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN CC1(C)CC(CNCc2csc(C(F)(F)F)n2)C1 ZINC000893875563 1121435471 /nfs/dbraw/zinc/43/54/71/1121435471.db2.gz UEHYHTCMBPJQDY-UHFFFAOYSA-N 0 1 278.343 3.688 20 0 CHADMN Cc1ncn(-c2cc(C)ccc2OCc2ccccc2)c1N ZINC001175717421 1121436452 /nfs/dbraw/zinc/43/64/52/1121436452.db2.gz USHJMWMPWGOXFU-UHFFFAOYSA-N 0 1 293.370 3.650 20 0 CHADMN Cc1cc(F)ncc1CN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000893942022 1121443018 /nfs/dbraw/zinc/44/30/18/1121443018.db2.gz XZPZTFSNZXAFDI-LLVKDONJSA-N 0 1 290.304 3.692 20 0 CHADMN Cc1ncoc1CN(Cc1ccco1)C1CCCC1 ZINC000893937202 1121443458 /nfs/dbraw/zinc/44/34/58/1121443458.db2.gz XQLMYMOUGLWPMU-UHFFFAOYSA-N 0 1 260.337 3.521 20 0 CHADMN Cc1ncoc1CN(Cc1cccc(F)c1)C(C)C ZINC000893944427 1121445033 /nfs/dbraw/zinc/44/50/33/1121445033.db2.gz YIDOIBPMOCGJJX-UHFFFAOYSA-N 0 1 262.328 3.533 20 0 CHADMN CCC(CC)n1ccc(CN2CC[C@H](c3ccco3)C2)n1 ZINC000676561204 1121446386 /nfs/dbraw/zinc/44/63/86/1121446386.db2.gz QOYOHFKKACEPBV-AWEZNQCLSA-N 0 1 287.407 3.827 20 0 CHADMN CCN(Cc1[nH]nc(C)c1C)[C@@H](C)c1cccc(OC)c1 ZINC000893953203 1121446500 /nfs/dbraw/zinc/44/65/00/1121446500.db2.gz ZJGWKPALZCCJCZ-AWEZNQCLSA-N 0 1 287.407 3.618 20 0 CHADMN CCOc1ccc(CN(Cc2ocnc2C)C(C)C)cc1 ZINC000893954635 1121446708 /nfs/dbraw/zinc/44/67/08/1121446708.db2.gz YMWHLRTZVKNZOF-UHFFFAOYSA-N 0 1 288.391 3.792 20 0 CHADMN Nc1cc(Cl)c(Cl)nc1NC1=CCCCC1 ZINC001175751707 1121447114 /nfs/dbraw/zinc/44/71/14/1121447114.db2.gz NMGFTPAXEJKMHD-UHFFFAOYSA-N 0 1 258.152 3.840 20 0 CHADMN Brc1ccc(NC2=CCCCC2)nc1 ZINC001175751756 1121447139 /nfs/dbraw/zinc/44/71/39/1121447139.db2.gz HDIZHALMJKGFMY-UHFFFAOYSA-N 0 1 253.143 3.714 20 0 CHADMN C[C@H](NC1C[C@@H]2CCC[C@H]2C1)c1nc(C(C)(C)C)no1 ZINC000893971926 1121447350 /nfs/dbraw/zinc/44/73/50/1121447350.db2.gz OKKMPOMNFFJJIW-SRVKXCTJSA-N 0 1 277.412 3.596 20 0 CHADMN CC(C)S(=O)(=O)c1ccccc1N=C1CCCCC1 ZINC001175751683 1121447945 /nfs/dbraw/zinc/44/79/45/1121447945.db2.gz MOSGNLQPBOZYAS-UHFFFAOYSA-N 0 1 279.405 3.739 20 0 CHADMN Cc1cc([C@H]2CCCN2C/C=C/c2cccc(F)c2)on1 ZINC000893994904 1121449762 /nfs/dbraw/zinc/44/97/62/1121449762.db2.gz MBKQWJFKBCOHMT-WUTVXBCWSA-N 0 1 286.350 3.972 20 0 CHADMN CC(=O)c1cccc(CN2CC[C@@H](OCCC(C)C)C2)c1 ZINC000295119989 1121450875 /nfs/dbraw/zinc/45/08/75/1121450875.db2.gz WOFJLEDXUDGFRQ-GOSISDBHSA-N 0 1 289.419 3.526 20 0 CHADMN COc1ccc(C(C)=O)c(NC2=CCCCC2)c1OC ZINC001175753241 1121452517 /nfs/dbraw/zinc/45/25/17/1121452517.db2.gz NELNVJYJLWMJBY-UHFFFAOYSA-N 0 1 275.348 3.776 20 0 CHADMN CCCSC[C@H](C)N[C@H](C)c1nnc([C@H](C)CC)[nH]1 ZINC000894008948 1121452738 /nfs/dbraw/zinc/45/27/38/1121452738.db2.gz PPXOTSRLMLKRCP-GRYCIOLGSA-N 0 1 284.473 3.501 20 0 CHADMN CSc1ccc(CN2CCC(OC3CCCC3)CC2)o1 ZINC000893986984 1121452805 /nfs/dbraw/zinc/45/28/05/1121452805.db2.gz RXVSJQTUQRXHPC-UHFFFAOYSA-N 0 1 295.448 3.925 20 0 CHADMN COCCN(Cc1nc(C(C)(C)C)co1)[C@@H]1CC[C@H](C)C1 ZINC000894001059 1121454093 /nfs/dbraw/zinc/45/40/93/1121454093.db2.gz NIANXLGAEYMALH-UONOGXRCSA-N 0 1 294.439 3.609 20 0 CHADMN CC(C)CC[C@H]1CCCCN1C(=O)c1[nH]nc2ccccc21 ZINC000473410032 1121454473 /nfs/dbraw/zinc/45/44/73/1121454473.db2.gz RILOWHXRTXCHHE-CQSZACIVSA-N 0 1 299.418 3.994 20 0 CHADMN Fc1cc(Cl)cc(-c2noc(-c3cc(Cl)[nH]n3)n2)c1 ZINC001213498763 1121456105 /nfs/dbraw/zinc/45/61/05/1121456105.db2.gz UTDNQGHXGNUFLX-UHFFFAOYSA-N 0 1 299.092 3.573 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1ccc(C)cc1F ZINC000631107098 1128985581 /nfs/dbraw/zinc/98/55/81/1128985581.db2.gz ZJMHNLBKTBXJGX-ZDUSSCGKSA-N 0 1 272.367 3.942 20 0 CHADMN CC1(C)CN(Cc2ccncc2)[C@H]1c1ccccc1 ZINC000676703989 1121457122 /nfs/dbraw/zinc/45/71/22/1121457122.db2.gz FDVALHXRWDWSDX-INIZCTEOSA-N 0 1 252.361 3.665 20 0 CHADMN C[C@@H](c1ccco1)N(C[C@H]1COc2ccccc2O1)C1CC1 ZINC000676705370 1121457232 /nfs/dbraw/zinc/45/72/32/1121457232.db2.gz OSJGEASKQKXPQQ-ZFWWWQNUSA-N 0 1 299.370 3.645 20 0 CHADMN Cc1[nH]nc(CN2CC[C@H](C)C[C@@H]2c2ccco2)c1C ZINC000894075189 1121466401 /nfs/dbraw/zinc/46/64/01/1121466401.db2.gz CNDCZTINTUAXJW-XHDPSFHLSA-N 0 1 273.380 3.593 20 0 CHADMN COc1c(F)cc(F)cc1CN1CCC[C@](C)(F)CC1 ZINC001143552130 1121468399 /nfs/dbraw/zinc/46/83/99/1121468399.db2.gz RSEMSWSKIVSQQL-HNNXBMFYSA-N 0 1 287.325 3.688 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2cnn(CC(C)C)c2)c1 ZINC000432889473 1121469404 /nfs/dbraw/zinc/46/94/04/1121469404.db2.gz XNOMGXVXXSMIOG-UHFFFAOYSA-N 0 1 285.435 3.788 20 0 CHADMN Cc1cc(CN[C@H]2c3ccccc3CCC[C@@H]2C)on1 ZINC000631114135 1128986461 /nfs/dbraw/zinc/98/64/61/1128986461.db2.gz WELXUERZPJCHLN-YVEFUNNKSA-N 0 1 270.376 3.786 20 0 CHADMN Cc1ccc(C)c(C[N@@H+](C)Cc2c[nH]nc2C(C)(C)C)c1 ZINC000432892560 1121470838 /nfs/dbraw/zinc/47/08/38/1121470838.db2.gz PQNWJOLTYQNJJR-UHFFFAOYSA-N 0 1 285.435 3.956 20 0 CHADMN Cc1ccc(C)c(CN(C)Cc2c[nH]nc2C(C)(C)C)c1 ZINC000432892560 1121470844 /nfs/dbraw/zinc/47/08/44/1121470844.db2.gz PQNWJOLTYQNJJR-UHFFFAOYSA-N 0 1 285.435 3.956 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000385251190 1128986522 /nfs/dbraw/zinc/98/65/22/1128986522.db2.gz NTSISLZCZFNLFH-KEYYUXOJSA-N 0 1 289.419 3.914 20 0 CHADMN FC1(F)CC(NCc2oc3ccccc3c2Cl)C1 ZINC000631120361 1128986521 /nfs/dbraw/zinc/98/65/21/1128986521.db2.gz BCFPZIFTFWJSBJ-UHFFFAOYSA-N 0 1 271.694 3.974 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1cn(C)cn1)c1ccccc1 ZINC000709948429 1121471671 /nfs/dbraw/zinc/47/16/71/1121471671.db2.gz DWAMFXNQNFOBAT-DZGCQCFKSA-N 0 1 257.381 3.612 20 0 CHADMN CCC[C@H](N[C@@H](C)c1cn(C)cn1)c1ccccc1 ZINC000709948432 1121471947 /nfs/dbraw/zinc/47/19/47/1121471947.db2.gz DWAMFXNQNFOBAT-ZFWWWQNUSA-N 0 1 257.381 3.612 20 0 CHADMN CC[C@H](N[C@@H](C)c1cn(C)cn1)c1ccc(C)cc1 ZINC000709948846 1121472174 /nfs/dbraw/zinc/47/21/74/1121472174.db2.gz INURBEQBMDQPTQ-ZFWWWQNUSA-N 0 1 257.381 3.530 20 0 CHADMN COc1cc(F)c(C(C)C)cc1Nc1ccncc1 ZINC001175826995 1121473820 /nfs/dbraw/zinc/47/38/20/1121473820.db2.gz KDRKYONHUZCAPA-UHFFFAOYSA-N 0 1 260.312 3.518 20 0 CHADMN C[C@@H]1c2ccc(F)cc2CCN1C[C@H]1CC2(CCC2)CO1 ZINC001175883166 1121476337 /nfs/dbraw/zinc/47/63/37/1121476337.db2.gz RBHZSYJUKYXGNW-CZUORRHYSA-N 0 1 289.394 3.704 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(-c2cccnc2)cc1 ZINC001175886657 1121477889 /nfs/dbraw/zinc/47/78/89/1121477889.db2.gz NAOBIUSWWYMYAQ-UHFFFAOYSA-N 0 1 264.332 3.534 20 0 CHADMN Cc1ccoc1CNCc1ccc(CC(F)(F)F)cc1 ZINC000631142883 1128986975 /nfs/dbraw/zinc/98/69/75/1128986975.db2.gz PVYVDYPFCRPAOT-UHFFFAOYSA-N 0 1 283.293 3.983 20 0 CHADMN CCC1(CC)CCCN1Cc1nc(C(C)C)ns1 ZINC001175897680 1121479682 /nfs/dbraw/zinc/47/96/82/1121479682.db2.gz ASUPAJCYWTXFKJ-UHFFFAOYSA-N 0 1 267.442 3.816 20 0 CHADMN CC[C@@H]1CCC[C@@H]1C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC001129273962 1121481539 /nfs/dbraw/zinc/48/15/39/1121481539.db2.gz HDEBBMGACZXQJS-NEPJUHHUSA-N 0 1 271.364 3.636 20 0 CHADMN CC(C)(F)CNCc1cnc(-c2ccccc2F)s1 ZINC000631189976 1128990296 /nfs/dbraw/zinc/99/02/96/1128990296.db2.gz YUNDVKUCUJEBMG-UHFFFAOYSA-N 0 1 282.359 3.787 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2n[nH]c(C(C)(C)C)n2)c1 ZINC000432930467 1121484731 /nfs/dbraw/zinc/48/47/31/1121484731.db2.gz YAGUIXWPUJUVLH-HNNXBMFYSA-N 0 1 298.434 3.748 20 0 CHADMN C[C@@H]1CSCCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000432932394 1121484884 /nfs/dbraw/zinc/48/48/84/1121484884.db2.gz PODBRCUQUWDNRT-VIFPVBQESA-N 0 1 295.395 3.952 20 0 CHADMN CC1(C)[C@H](c2cccc(Cl)c2)CCN1Cc1c[nH]cn1 ZINC001175873650 1121487949 /nfs/dbraw/zinc/48/79/49/1121487949.db2.gz OASFSOGXRNFOBA-HNNXBMFYSA-N 0 1 289.810 3.831 20 0 CHADMN CC(C)(C)c1nc(CN2CCC[C@@H]2c2cccs2)n[nH]1 ZINC000432937629 1121488680 /nfs/dbraw/zinc/48/86/80/1121488680.db2.gz LHOLPZNPYBQABH-LLVKDONJSA-N 0 1 290.436 3.501 20 0 CHADMN FC1(F)CCCN(CCOc2ccccc2Cl)CC1 ZINC000625768418 1121489521 /nfs/dbraw/zinc/48/95/21/1121489521.db2.gz WONZEXAUCBHQJG-UHFFFAOYSA-N 0 1 289.753 3.840 20 0 CHADMN COc1cc(CN2CCCC(F)(F)CC2)ccc1Cl ZINC000625772870 1121494817 /nfs/dbraw/zinc/49/48/17/1121494817.db2.gz SCXXMSFYWRWLFY-UHFFFAOYSA-N 0 1 289.753 3.970 20 0 CHADMN Cc1nc([C@@H](C)NCCSCC(C)C)c(C)s1 ZINC000397398233 1121498931 /nfs/dbraw/zinc/49/89/31/1121498931.db2.gz QADAQDHFEXCAJG-SNVBAGLBSA-N 0 1 272.483 3.800 20 0 CHADMN C[C@H](N[C@H]1CC2CCC1CC2)c1noc(-c2ccccc2)n1 ZINC000432986619 1121504453 /nfs/dbraw/zinc/50/44/53/1121504453.db2.gz RPNSWOHXPDMEOB-USPMSXPRSA-N 0 1 297.402 3.966 20 0 CHADMN CSC[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000429280807 1121505247 /nfs/dbraw/zinc/50/52/47/1121505247.db2.gz RWERRMLWMHSORQ-GFCCVEGCSA-N 0 1 271.376 3.540 20 0 CHADMN CCc1cccc(CNCc2ccnn2CC2CCC2)c1 ZINC000631168302 1128989054 /nfs/dbraw/zinc/98/90/54/1128989054.db2.gz HYLAITCNBWEJTQ-UHFFFAOYSA-N 0 1 283.419 3.535 20 0 CHADMN CCC1(CC)[C@H](OC)C[C@@H]1NCc1ncc(C(C)(C)C)o1 ZINC000429290379 1121510503 /nfs/dbraw/zinc/51/05/03/1121510503.db2.gz ZNNOMJFECZLNRU-QWHCGFSZSA-N 0 1 294.439 3.655 20 0 CHADMN O=C1C[C@@]2(CCCN(CC3=CCCC3)C2)Oc2ccccc21 ZINC000625806968 1121512904 /nfs/dbraw/zinc/51/29/04/1121512904.db2.gz UMBCWPULAVVNNP-LJQANCHMSA-N 0 1 297.398 3.597 20 0 CHADMN C[C@]1(NCc2ccccc2F)CCOc2ccccc21 ZINC000923023826 1121514507 /nfs/dbraw/zinc/51/45/07/1121514507.db2.gz BXDDRRCPOAEPHA-KRWDZBQOSA-N 0 1 271.335 3.613 20 0 CHADMN COc1ccccc1[C@H]1CSCCCN1C/C=C\Cl ZINC001175947091 1121515663 /nfs/dbraw/zinc/51/56/63/1121515663.db2.gz PQHMLQYHEYKTJV-SMGNDMQFSA-N 0 1 297.851 3.928 20 0 CHADMN COc1ccccc1[C@@H]1CSCCCN1C/C=C\Cl ZINC001175947092 1121515871 /nfs/dbraw/zinc/51/58/71/1121515871.db2.gz PQHMLQYHEYKTJV-VCDPDADVSA-N 0 1 297.851 3.928 20 0 CHADMN COc1cc([C@H](C)N[C@H](C)c2ccccn2)ccc1F ZINC000152554658 1121518003 /nfs/dbraw/zinc/51/80/03/1121518003.db2.gz JVNGXFRNKWKACS-NWDGAFQWSA-N 0 1 274.339 3.641 20 0 CHADMN c1nc(Nc2ccc3n[nH]nc3c2)sc1-c1ccccc1 ZINC001175996320 1121518778 /nfs/dbraw/zinc/51/87/78/1121518778.db2.gz POIAVMSHYAECPK-UHFFFAOYSA-N 0 1 293.355 3.825 20 0 CHADMN c1nc(Nc2ccc3nn[nH]c3c2)sc1-c1ccccc1 ZINC001175996320 1121518781 /nfs/dbraw/zinc/51/87/81/1121518781.db2.gz POIAVMSHYAECPK-UHFFFAOYSA-N 0 1 293.355 3.825 20 0 CHADMN Clc1ccc2c(cccc2Nc2ccc3nn[nH]c3c2)n1 ZINC001176004468 1121522660 /nfs/dbraw/zinc/52/26/60/1121522660.db2.gz KUOOKNWVPBKFHN-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1ccc2c(cccc2Nc2ccc3n[nH]nc3c2)n1 ZINC001176004468 1121522665 /nfs/dbraw/zinc/52/26/65/1121522665.db2.gz KUOOKNWVPBKFHN-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN CC(C)C[C@H]1CCCCN1CC(=O)Nc1ccccc1F ZINC000466664141 1121524120 /nfs/dbraw/zinc/52/41/20/1121524120.db2.gz JRWAUCNSLCMGQV-CQSZACIVSA-N 0 1 292.398 3.665 20 0 CHADMN Clc1cnc(Cl)c(Cl)c1Nc1ncc[nH]1 ZINC001176081989 1121533300 /nfs/dbraw/zinc/53/33/00/1121533300.db2.gz NOFNVVGATMBGSN-UHFFFAOYSA-N 0 1 263.515 3.509 20 0 CHADMN CCc1nnc([C@H](C)N2CC[C@H](c3ccc(CC)cc3)C2)o1 ZINC000433042976 1121533515 /nfs/dbraw/zinc/53/35/15/1121533515.db2.gz BQZAKLIUKVRBBZ-BBRMVZONSA-N 0 1 299.418 3.745 20 0 CHADMN CCOC(=O)c1sc([C@@H](C)NCCCC(C)C)nc1C ZINC000429349406 1121535440 /nfs/dbraw/zinc/53/54/40/1121535440.db2.gz LRSGCMFLMBNNTF-GFCCVEGCSA-N 0 1 298.452 3.715 20 0 CHADMN Fc1cc(F)cc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)c1 ZINC001176086135 1121535479 /nfs/dbraw/zinc/53/54/79/1121535479.db2.gz CKSZONHKLXWZDA-MAUKXSAKSA-N 0 1 285.337 3.738 20 0 CHADMN Cc1scc(CNCc2cc3cccnc3o2)c1C ZINC000631205528 1128992265 /nfs/dbraw/zinc/99/22/65/1128992265.db2.gz BPCSJUMJCKAJAB-UHFFFAOYSA-N 0 1 272.373 3.796 20 0 CHADMN CCc1nnc([C@H](C)N2CCC[C@@H](c3ccccc3)C2)o1 ZINC000433051856 1121539079 /nfs/dbraw/zinc/53/90/79/1121539079.db2.gz JESRCFONUFIIKZ-DZGCQCFKSA-N 0 1 285.391 3.573 20 0 CHADMN Cc1cc(O)cc(-c2ccc(F)c(CN(C)C)c2)c1 ZINC001206262230 1121540597 /nfs/dbraw/zinc/54/05/97/1121540597.db2.gz PCIOXOWUSJFZPH-UHFFFAOYSA-N 0 1 259.324 3.568 20 0 CHADMN Cc1cc(N=c2[nH]c3c(cccc3C)s2)cc(C)n1 ZINC001176052219 1121542189 /nfs/dbraw/zinc/54/21/89/1121542189.db2.gz OWKSBGQSBSUICJ-UHFFFAOYSA-N 0 1 269.373 3.782 20 0 CHADMN C[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2F)C1 ZINC000433060620 1121542498 /nfs/dbraw/zinc/54/24/98/1121542498.db2.gz ZLQCTHJDFTZWRH-GXSJLCMTSA-N 0 1 257.299 3.724 20 0 CHADMN CC(C)n1ccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)n1 ZINC000433063792 1121542615 /nfs/dbraw/zinc/54/26/15/1121542615.db2.gz UTLYMDJNCICOPE-KRWDZBQOSA-N 0 1 283.419 3.844 20 0 CHADMN CC(C)n1ccc(CN2CCC[C@H](c3ccccc3)C2)n1 ZINC000433063792 1121542620 /nfs/dbraw/zinc/54/26/20/1121542620.db2.gz UTLYMDJNCICOPE-KRWDZBQOSA-N 0 1 283.419 3.844 20 0 CHADMN Cc1cc(Nc2c(Cl)ccc([O-])c2Cl)cc(C)[nH+]1 ZINC001176056754 1121543624 /nfs/dbraw/zinc/54/36/24/1121543624.db2.gz FAJXKPGNSYAWMN-UHFFFAOYSA-N 0 1 283.158 3.876 20 0 CHADMN O=C([O-])[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)Cc2ccccc21 ZINC000923254763 1121545856 /nfs/dbraw/zinc/54/58/56/1121545856.db2.gz DPDNEXINEDQLHY-KRWDZBQOSA-N 0 1 299.414 3.641 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@@H](c3ccc(CC)cc3)C2)n1 ZINC000433065026 1121548301 /nfs/dbraw/zinc/54/83/01/1121548301.db2.gz CWQXDKGJJCIBBP-XJKSGUPXSA-N 0 1 299.418 3.745 20 0 CHADMN CCCCc1noc(CN2CCC[C@@H](c3ccccc3)C2)n1 ZINC000433067763 1121548636 /nfs/dbraw/zinc/54/86/36/1121548636.db2.gz MCMVHBMOAYDIOD-MRXNPFEDSA-N 0 1 299.418 3.792 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H]2CC3CCC2CC3)no1 ZINC000433069826 1121549543 /nfs/dbraw/zinc/54/95/43/1121549543.db2.gz WESHGDYAYUCNHV-ZBCRRDGASA-N 0 1 297.402 3.713 20 0 CHADMN C[C@H](c1nc(C2CC2)no1)N1CCC[C@@H](c2ccccc2)C1 ZINC000433070112 1121549880 /nfs/dbraw/zinc/54/98/80/1121549880.db2.gz WZPPLOUECXKCNJ-CZUORRHYSA-N 0 1 297.402 3.888 20 0 CHADMN Cc1cc(C(=O)CN2CCC[C@@H](c3ccccc3)C2)c(C)[nH]1 ZINC000433075103 1121550886 /nfs/dbraw/zinc/55/08/86/1121550886.db2.gz GMWPZCSEZYCKLI-QGZVFWFLSA-N 0 1 296.414 3.694 20 0 CHADMN Cc1c(Cl)ccc(-c2nccc3[nH]cnc32)c1F ZINC001206262488 1121551601 /nfs/dbraw/zinc/55/16/01/1121551601.db2.gz WPXLQVXXGWIMFN-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN Cc1cnc(=S)n(C[N@H+]2CC[C@](C)(c3ccccc3)C2)c1 ZINC000758350493 1121553439 /nfs/dbraw/zinc/55/34/39/1121553439.db2.gz CETJLBANLXUXIF-KRWDZBQOSA-N 0 1 299.443 3.542 20 0 CHADMN Cc1cnc(=S)n(CN2CC[C@](C)(c3ccccc3)C2)c1 ZINC000758350493 1121553442 /nfs/dbraw/zinc/55/34/42/1121553442.db2.gz CETJLBANLXUXIF-KRWDZBQOSA-N 0 1 299.443 3.542 20 0 CHADMN Cc1ccoc1CN(C)CCSc1ccc(F)cc1 ZINC000429410784 1121567113 /nfs/dbraw/zinc/56/71/13/1121567113.db2.gz YVVPJJSMEHEUQR-UHFFFAOYSA-N 0 1 279.380 3.951 20 0 CHADMN CCc1nnc([C@@H](C)N[C@H](c2cccc(C)c2)C(C)C)[nH]1 ZINC000625984710 1121568960 /nfs/dbraw/zinc/56/89/60/1121568960.db2.gz IYYUZTOXKIKADH-CJNGLKHVSA-N 0 1 286.423 3.723 20 0 CHADMN CC(=O)c1sccc1OC[C@@H]1CCCCN1C(C)C ZINC000664009836 1121573214 /nfs/dbraw/zinc/57/32/14/1121573214.db2.gz ODMFRPSBYOOZHK-ZDUSSCGKSA-N 0 1 281.421 3.592 20 0 CHADMN C[C@H](CCSc1ccccc1)N1CCO[C@H](CCF)C1 ZINC000626004441 1121573261 /nfs/dbraw/zinc/57/32/61/1121573261.db2.gz HVPPYQDWOZOCSK-HUUCEWRRSA-N 0 1 297.439 3.618 20 0 CHADMN Cn1cc([C@H](N[C@H]2CC23CCCC3)c2cccc(F)c2)cn1 ZINC000429421060 1121573970 /nfs/dbraw/zinc/57/39/70/1121573970.db2.gz FDASYTXUGFGVGU-DLBZAZTESA-N 0 1 299.393 3.571 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(C(F)(F)F)cc1C ZINC001176205338 1121574127 /nfs/dbraw/zinc/57/41/27/1121574127.db2.gz DVCNZXGLGAZCNS-UHFFFAOYSA-N 0 1 269.270 3.799 20 0 CHADMN COc1cc([C@@H](C)NCc2ccccc2F)ccc1F ZINC000213415435 1121576402 /nfs/dbraw/zinc/57/64/02/1121576402.db2.gz HMCLURJHCXPDBF-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN CCC[C@@H](NCc1nccn1C1CC1)c1ccccc1 ZINC000711801735 1121577068 /nfs/dbraw/zinc/57/70/68/1121577068.db2.gz RAZAPNASWCFABQ-MRXNPFEDSA-N 0 1 269.392 3.849 20 0 CHADMN CC(C)Oc1cccc(F)c1-n1c(N)nc2ccccc21 ZINC001211772733 1121577082 /nfs/dbraw/zinc/57/70/82/1121577082.db2.gz CEVBOOIHWXCFGN-UHFFFAOYSA-N 0 1 285.322 3.534 20 0 CHADMN CC[C@H](NCc1nccn1C1CC1)c1ccc(C)cc1 ZINC000711798883 1121577703 /nfs/dbraw/zinc/57/77/03/1121577703.db2.gz HRUFDTZMWDEBOT-INIZCTEOSA-N 0 1 269.392 3.767 20 0 CHADMN CCC(C)(C)CN[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000429428926 1121578469 /nfs/dbraw/zinc/57/84/69/1121578469.db2.gz PUUXVPIDCKRJHR-INIZCTEOSA-N 0 1 287.382 3.731 20 0 CHADMN CSc1ccccc1CN1CCc2c(O)cccc2C1 ZINC000626028224 1121584828 /nfs/dbraw/zinc/58/48/28/1121584828.db2.gz BTBYIFNHYUZSJW-UHFFFAOYSA-N 0 1 285.412 3.672 20 0 CHADMN Oc1cccc2c1CCN([C@@H]1CCc3ccc(F)cc31)C2 ZINC000626027011 1121585048 /nfs/dbraw/zinc/58/50/48/1121585048.db2.gz IJXROAVERZZFQO-QGZVFWFLSA-N 0 1 283.346 3.577 20 0 CHADMN CC[C@H](CN[C@H](C)c1nc(C(C)(C)C)cs1)OC ZINC000419252534 1121594405 /nfs/dbraw/zinc/59/44/05/1121594405.db2.gz VPGFSCXDQSDUHC-GHMZBOCLSA-N 0 1 270.442 3.516 20 0 CHADMN Cc1cc(-n2[nH]c(=O)c3cc(N)ccc32)cc(C)c1Cl ZINC001176337737 1121600225 /nfs/dbraw/zinc/60/02/25/1121600225.db2.gz CBFHHTUYKYGKCH-UHFFFAOYSA-N 0 1 287.750 3.584 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2CCc3ccccc3NC2=O)c(C)o1 ZINC000318190423 1121603885 /nfs/dbraw/zinc/60/38/85/1121603885.db2.gz RULLWUKEANRXEH-PXAZEXFGSA-N 0 1 298.386 3.501 20 0 CHADMN Cc1nc2c(n1CCc1ccc(C)cc1)CCCC2 ZINC000664048539 1121607150 /nfs/dbraw/zinc/60/71/50/1121607150.db2.gz LMUKLKICTAARCE-UHFFFAOYSA-N 0 1 254.377 3.621 20 0 CHADMN COCCN(Cc1ccccc1Cl)[C@@H]1CCCSC1 ZINC000433184496 1121610173 /nfs/dbraw/zinc/61/01/73/1121610173.db2.gz WFAWCIASLWRDPA-CQSZACIVSA-N 0 1 299.867 3.684 20 0 CHADMN CC[C@H](NCc1ccoc1)c1cccc(OC)c1OC ZINC000631264591 1128997004 /nfs/dbraw/zinc/99/70/04/1128997004.db2.gz MEZXFCDXMQRTBO-AWEZNQCLSA-N 0 1 275.348 3.538 20 0 CHADMN CCCOC(=O)[C@H](C)NC(C1CCCC1)C1CCCC1 ZINC001176365775 1121615344 /nfs/dbraw/zinc/61/53/44/1121615344.db2.gz VGHGTSYNNZEHQO-ZDUSSCGKSA-N 0 1 281.440 3.667 20 0 CHADMN COc1cccc([C@@H](C)NCc2scnc2C2CC2)c1 ZINC000486951702 1121616736 /nfs/dbraw/zinc/61/67/36/1121616736.db2.gz UFHPFWJHAJUMQV-LLVKDONJSA-N 0 1 288.416 3.880 20 0 CHADMN COc1ncccc1CN1CCCC[C@@H]1c1ccccc1 ZINC000488266404 1121623026 /nfs/dbraw/zinc/62/30/26/1121623026.db2.gz PQOAFZMCNFPZKE-QGZVFWFLSA-N 0 1 282.387 3.817 20 0 CHADMN Fc1cccc(Cl)c1CNCC1(C(F)(F)F)CC1 ZINC000512865330 1121623991 /nfs/dbraw/zinc/62/39/91/1121623991.db2.gz SFCHMFLRIUVQDM-UHFFFAOYSA-N 0 1 281.680 3.911 20 0 CHADMN COc1cc(NC=Cc2ccc(C)cc2)ncc1C ZINC001176422791 1121630754 /nfs/dbraw/zinc/63/07/54/1121630754.db2.gz RJKAFDDLQGWZNJ-CMDGGOBGSA-N 0 1 254.333 3.790 20 0 CHADMN CSCC[C@H](C)N(C)Cc1cscc1Cl ZINC000611272772 1121634216 /nfs/dbraw/zinc/63/42/16/1121634216.db2.gz YHGSKBYEEQNMJS-VIFPVBQESA-N 0 1 263.859 3.975 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1csc(-c2ccco2)n1 ZINC000252015849 1121646768 /nfs/dbraw/zinc/64/67/68/1121646768.db2.gz VPAKPPJHDAKTSZ-JTQLQIEISA-N 0 1 262.378 3.633 20 0 CHADMN Cc1ccc([C@@H](C)NCc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000433344608 1121651557 /nfs/dbraw/zinc/65/15/57/1121651557.db2.gz SMMJXWZGRFUCFV-CYBMUJFWSA-N 0 1 281.359 3.829 20 0 CHADMN Cc1ccc(CN2CCc3c(F)cccc3C2)cc1 ZINC001204174368 1121654783 /nfs/dbraw/zinc/65/47/83/1121654783.db2.gz PCWHRAFVZHHHDI-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN Cc1cccc(C)c1CN(C)Cc1cc(CO)ccc1F ZINC001176554212 1121654939 /nfs/dbraw/zinc/65/49/39/1121654939.db2.gz BBJRMUUHWYBUTI-UHFFFAOYSA-N 0 1 287.378 3.567 20 0 CHADMN CCS[C@H]1CC[C@@H](N(C)Cc2ncc(C(C)C)o2)C1 ZINC000076067786 1129000833 /nfs/dbraw/zinc/00/08/33/1129000833.db2.gz GKUTXTFSZDYZFS-OLZOCXBDSA-N 0 1 282.453 3.904 20 0 CHADMN Fc1ccc(-c2ccc(C[N@H+]3CCCOCC3)s2)cc1 ZINC000510518015 1121667834 /nfs/dbraw/zinc/66/78/34/1121667834.db2.gz NIIFQSMFSLDTHK-UHFFFAOYSA-N 0 1 291.391 3.777 20 0 CHADMN C[C@@H](SCc1nnc[nH]1)c1ccccc1Br ZINC001118538105 1121668039 /nfs/dbraw/zinc/66/80/39/1121668039.db2.gz RPZXRKLMLRXHOB-MRVPVSSYSA-N 0 1 298.209 3.562 20 0 CHADMN Cc1cc(CNCc2cccnc2OC(C)C)c(C)s1 ZINC000049687072 1121668632 /nfs/dbraw/zinc/66/86/32/1121668632.db2.gz PVCYUBNXRQLFFU-UHFFFAOYSA-N 0 1 290.432 3.837 20 0 CHADMN CC(=O)c1ccsc1Nc1c(F)cc(F)c(O)c1F ZINC001176664950 1121671878 /nfs/dbraw/zinc/67/18/78/1121671878.db2.gz ZTJNFJWRHXSATO-UHFFFAOYSA-N 0 1 287.262 3.817 20 0 CHADMN CC(=O)c1c(F)cccc1Nc1c(F)cc(F)c(O)c1F ZINC001176670394 1121672100 /nfs/dbraw/zinc/67/21/00/1121672100.db2.gz GIIXBQRWPBAQGO-UHFFFAOYSA-N 0 1 299.223 3.895 20 0 CHADMN c1nc(C2CC2)c(CN2CC[C@H]2c2ccccc2)s1 ZINC000494418897 1121672647 /nfs/dbraw/zinc/67/26/47/1121672647.db2.gz PMCDRVOLJQSSSA-AWEZNQCLSA-N 0 1 270.401 3.968 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1scnc1C1CC1 ZINC000494962068 1121674621 /nfs/dbraw/zinc/67/46/21/1121674621.db2.gz UEKCSNAAYLLLIA-LBPRGKRZSA-N 0 1 284.428 3.967 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)N(CC(=O)Nc2ccccc2)C1 ZINC000513230892 1121675358 /nfs/dbraw/zinc/67/53/58/1121675358.db2.gz FTYZOEOJGOHCOP-CRAIPNDOSA-N 0 1 294.398 3.708 20 0 CHADMN Cc1cc(-n2cncc2N)cc(C)c1OCc1ccccc1 ZINC001176652799 1121675713 /nfs/dbraw/zinc/67/57/13/1121675713.db2.gz QXPCKDUFJBFFQY-UHFFFAOYSA-N 0 1 293.370 3.650 20 0 CHADMN c1ncc(CN2CCCC[C@@H]2c2ccccc2)s1 ZINC000273865200 1121681407 /nfs/dbraw/zinc/68/14/07/1121681407.db2.gz NFBUGNPTGFYWOA-OAHLLOKOSA-N 0 1 258.390 3.870 20 0 CHADMN COc1ccc(CN[C@H]2CCCc3ccc(F)cc32)o1 ZINC000894162784 1121682357 /nfs/dbraw/zinc/68/23/57/1121682357.db2.gz WSLMYEWQHAGOEK-HNNXBMFYSA-N 0 1 275.323 3.595 20 0 CHADMN CC[C@H](NCc1ocnc1C)c1ccc(Cl)cc1 ZINC000894165370 1121688287 /nfs/dbraw/zinc/68/82/87/1121688287.db2.gz CWEZVBFTJIGMDZ-ZDUSSCGKSA-N 0 1 264.756 3.877 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2cc(-c3cccs3)on2)C1 ZINC000052870065 1121690729 /nfs/dbraw/zinc/69/07/29/1121690729.db2.gz WVGREEGRFRDFRF-TXEJJXNPSA-N 0 1 276.405 3.881 20 0 CHADMN O=c1[nH]cc(CN2CCc3ccsc3C2)c2ccccc12 ZINC001176761312 1121694523 /nfs/dbraw/zinc/69/45/23/1121694523.db2.gz VTEADPGUOYYSRA-UHFFFAOYSA-N 0 1 296.395 3.560 20 0 CHADMN C[C@]1(C2CC2)COCCN1C/C=C\c1ccc(Cl)cc1 ZINC001176820417 1121695582 /nfs/dbraw/zinc/69/55/82/1121695582.db2.gz ZBSUGTJPARBQSE-BAHPRDJBSA-N 0 1 291.822 3.854 20 0 CHADMN CCO[C@H](C)c1nc(CN2C[C@H](C)[C@H](C)[C@H]2C)cs1 ZINC000419369846 1121701108 /nfs/dbraw/zinc/70/11/08/1121701108.db2.gz IMAQZKKGVGVINT-WUHRBBMRSA-N 0 1 282.453 3.717 20 0 CHADMN Cc1cccc(Cl)c1C[N@@H+]1C[C@@H](C)OCC[C@H]1C ZINC001176971397 1121703350 /nfs/dbraw/zinc/70/33/50/1121703350.db2.gz QPNHPCSNRLCRSI-CHWSQXEVSA-N 0 1 267.800 3.648 20 0 CHADMN CC(C)C(C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])C(C)C ZINC000261714960 1129003491 /nfs/dbraw/zinc/00/34/91/1129003491.db2.gz JTPLPYHWKCLDJO-IMJJTQAJSA-N 0 1 281.440 3.632 20 0 CHADMN Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1CCC[C@H](C)C1 ZINC000025498704 1121714495 /nfs/dbraw/zinc/71/44/95/1121714495.db2.gz NXABKNKZJNSPQT-AAEUAGOBSA-N 0 1 294.826 3.707 20 0 CHADMN Cc1cccc(CCN[C@H](C)c2csc(C(C)C)n2)n1 ZINC000280046021 1121716749 /nfs/dbraw/zinc/71/67/49/1121716749.db2.gz JFYGFWYWNZVBEM-CYBMUJFWSA-N 0 1 289.448 3.863 20 0 CHADMN C[C@@H]1CC[C@H](CNCc2csc(C(F)(F)F)n2)C1 ZINC000894175103 1121723526 /nfs/dbraw/zinc/72/35/26/1121723526.db2.gz VMQOFOJMMRJIHK-BDAKNGLRSA-N 0 1 278.343 3.688 20 0 CHADMN CC(C)c1nnc(CNCCCc2ccccc2F)s1 ZINC000894178948 1121724723 /nfs/dbraw/zinc/72/47/23/1121724723.db2.gz QZFJYUYRWFYVLK-UHFFFAOYSA-N 0 1 293.411 3.523 20 0 CHADMN Cc1cc(CNCc2ccc(Cl)nc2)c(C)s1 ZINC001177334091 1121726171 /nfs/dbraw/zinc/72/61/71/1121726171.db2.gz JSYWHOKAWBQDIL-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN C[C@H](c1nc([C@H]2Cc3ccccc32)no1)N1[C@H](C)CC[C@@H]1C ZINC000527198224 1121729887 /nfs/dbraw/zinc/72/98/87/1121729887.db2.gz YXRWLOQOMDUZLZ-IATRGZMQSA-N 0 1 297.402 3.691 20 0 CHADMN Cc1ccc(-c2cc(C(=O)O[C@H](C)CC(C)C)[nH]n2)o1 ZINC000729080029 1121750187 /nfs/dbraw/zinc/75/01/87/1121750187.db2.gz IUYUTOKPYLTLDQ-LLVKDONJSA-N 0 1 276.336 3.570 20 0 CHADMN Cc1ccccc1[C@H](N[C@@H](C)c1ncc[nH]1)C1CC1 ZINC000286244493 1121767763 /nfs/dbraw/zinc/76/77/63/1121767763.db2.gz UCZCFLPWRNLHIP-SWLSCSKDSA-N 0 1 255.365 3.520 20 0 CHADMN CCCn1cncc1CNCc1ccc(C)cc1SC ZINC001178165863 1121769798 /nfs/dbraw/zinc/76/97/98/1121769798.db2.gz LQGARAJIYSGLKK-UHFFFAOYSA-N 0 1 289.448 3.613 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](N[C@H](C)c1ncc[nH]1)CC2 ZINC000287311640 1121770699 /nfs/dbraw/zinc/77/06/99/1121770699.db2.gz FABZJZKEHDJMPO-WBMJQRKESA-N 0 1 269.392 3.871 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2CCCc3ncccc32)o1 ZINC000631570365 1129008169 /nfs/dbraw/zinc/00/81/69/1129008169.db2.gz SFRHZXLRPCJLKE-SRCQZFHVSA-N 0 1 282.387 3.965 20 0 CHADMN CCC/C=C\C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000729349488 1121779897 /nfs/dbraw/zinc/77/98/97/1121779897.db2.gz GHDNUWLSTMJYAD-SBSDFTTDSA-N 0 1 297.402 3.891 20 0 CHADMN CCOc1ccc(Cl)cc1CN[C@@H](C)c1ccc[nH]1 ZINC001178398592 1121783568 /nfs/dbraw/zinc/78/35/68/1121783568.db2.gz SQICZHYBRFSVFM-NSHDSACASA-N 0 1 278.783 3.918 20 0 CHADMN Fc1ccc(F)c(CN2CCC[C@@H]2Cc2ccccn2)c1 ZINC001204219756 1121793446 /nfs/dbraw/zinc/79/34/46/1121793446.db2.gz MOOUVJKNLCYYDY-MRXNPFEDSA-N 0 1 288.341 3.567 20 0 CHADMN Cc1ncoc1CN1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC001119507575 1121794016 /nfs/dbraw/zinc/79/40/16/1121794016.db2.gz MVQYYKHCMWCBPQ-ABAIWWIYSA-N 0 1 274.339 3.705 20 0 CHADMN CCCC1CCC(C[N@@H+](C)C(C)(C)CC(=O)[O-])CC1 ZINC001119536736 1121799136 /nfs/dbraw/zinc/79/91/36/1121799136.db2.gz CVDQSMTYUQLMSU-UHFFFAOYSA-N 0 1 269.429 3.778 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccsc2)nc1Cl ZINC000878562044 1121801234 /nfs/dbraw/zinc/80/12/34/1121801234.db2.gz TZRFAJGCDONPIV-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN CCc1ccc([C@@H](COC)NC/C=C/c2ccccc2)o1 ZINC000236964141 1121802830 /nfs/dbraw/zinc/80/28/30/1121802830.db2.gz FCRHMSRHRQFPCK-PYUISTEWSA-N 0 1 285.387 3.833 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@H]1CCCc3ncccc31)CCO2 ZINC000631593683 1129011417 /nfs/dbraw/zinc/01/14/17/1129011417.db2.gz LCLGJDNHHZWLAY-IRXDYDNUSA-N 0 1 298.361 3.712 20 0 CHADMN C[C@@]1(CNCc2csc(-c3ccsc3)n2)CCCO1 ZINC000152913358 1129011437 /nfs/dbraw/zinc/01/14/37/1129011437.db2.gz LMBOULUZJHKODB-AWEZNQCLSA-N 0 1 294.445 3.530 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(F)c3ccccc32)nn1 ZINC001178840298 1121822641 /nfs/dbraw/zinc/82/26/41/1121822641.db2.gz OQZAISAFJHOCRE-ZDUSSCGKSA-N 0 1 295.361 3.928 20 0 CHADMN CC[C@H]([NH2+]Cc1cccc([O-])c1Cl)[C@H]1CC1(C)C ZINC001178978169 1121830872 /nfs/dbraw/zinc/83/08/72/1121830872.db2.gz USAVGCYLEXZAHX-NEPJUHHUSA-N 0 1 267.800 3.960 20 0 CHADMN Cc1cccc(C2(NCc3cnsc3)CCC2)c1 ZINC001179020579 1121837614 /nfs/dbraw/zinc/83/76/14/1121837614.db2.gz GHSQRMWWJNSVOD-UHFFFAOYSA-N 0 1 258.390 3.621 20 0 CHADMN Cn1c(CN[C@@H]2C[C@@]2(F)c2ccccc2)cc2ccccc21 ZINC001178998207 1121839701 /nfs/dbraw/zinc/83/97/01/1121839701.db2.gz GSTYKVPWGNKFQR-RTBURBONSA-N 0 1 294.373 3.905 20 0 CHADMN COc1ccc(CNc2ccc(Cl)c(CN(C)C)c2)o1 ZINC000894237543 1121843174 /nfs/dbraw/zinc/84/31/74/1121843174.db2.gz AIFYGEUFHGFCOZ-UHFFFAOYSA-N 0 1 294.782 3.615 20 0 CHADMN CCc1ncc(CN(C)Cc2cccc3ccccc32)cn1 ZINC000414372725 1121847691 /nfs/dbraw/zinc/84/76/91/1121847691.db2.gz QLUPARGONQEEGL-UHFFFAOYSA-N 0 1 291.398 3.824 20 0 CHADMN Cc1ccccc1[C@H](C)CC(=O)NCc1cnc(C(C)C)[nH]1 ZINC001179091675 1121849426 /nfs/dbraw/zinc/84/94/26/1121849426.db2.gz ABZNIRQAYSZYCE-CQSZACIVSA-N 0 1 299.418 3.652 20 0 CHADMN C[C@@H](NCc1ccc2ccccc2n1)c1cccc(CO)c1 ZINC000345148337 1121851901 /nfs/dbraw/zinc/85/19/01/1121851901.db2.gz WHSHAFYSASPTED-CQSZACIVSA-N 0 1 292.382 3.578 20 0 CHADMN COc1ccccc1C1(N[C@@H]2CCCc3ncccc32)CC1 ZINC000631642094 1129016840 /nfs/dbraw/zinc/01/68/40/1129016840.db2.gz IICAWJSKWRDZDI-QGZVFWFLSA-N 0 1 294.398 3.747 20 0 CHADMN CCc1ncc(CN(CC)[C@@H](C)c2cccc(OC)c2)cn1 ZINC000414373023 1121856112 /nfs/dbraw/zinc/85/61/12/1121856112.db2.gz QZIJAIMZNYDAQM-AWEZNQCLSA-N 0 1 299.418 3.631 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC(n2cccn2)CC1 ZINC000731355046 1121863732 /nfs/dbraw/zinc/86/37/32/1121863732.db2.gz GAXPMKKFQADBMH-GFCCVEGCSA-N 0 1 291.345 3.559 20 0 CHADMN Cc1ncsc1CN[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000345317377 1121871232 /nfs/dbraw/zinc/87/12/32/1121871232.db2.gz JFNZPXZIKWCZMN-SNVBAGLBSA-N 0 1 292.452 3.562 20 0 CHADMN F[C@@H]1COc2ccccc2[C@@H]1N[C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001179578922 1121889673 /nfs/dbraw/zinc/88/96/73/1121889673.db2.gz CWXWQJYMTKCVQY-KIRIIANNSA-N 0 1 275.367 3.627 20 0 CHADMN CCOc1cccc(F)c1CNC[C@H]1CCCC(C)(C)O1 ZINC001179740643 1121906591 /nfs/dbraw/zinc/90/65/91/1121906591.db2.gz NMXCLSGRVWKIEY-CYBMUJFWSA-N 0 1 295.398 3.662 20 0 CHADMN CCC[C@@H](NCc1cccnc1C)c1cc(C)ccn1 ZINC000631651232 1129017589 /nfs/dbraw/zinc/01/75/89/1129017589.db2.gz SWHKWSWOTLIZNW-MRXNPFEDSA-N 0 1 269.392 3.724 20 0 CHADMN Cc1nn(-c2ccccc2C)c(C)c1CNC/C=C/Cl ZINC001179746615 1121908434 /nfs/dbraw/zinc/90/84/34/1121908434.db2.gz CDBVGUIAKVKINC-RMKNXTFCSA-N 0 1 289.810 3.640 20 0 CHADMN Cc1ccc(CCC(=O)Nc2cc(Cl)c(O)cc2F)o1 ZINC000345705711 1121908644 /nfs/dbraw/zinc/90/86/44/1121908644.db2.gz KRTBQYJKAMIAHJ-UHFFFAOYSA-N 0 1 297.713 3.657 20 0 CHADMN CC(C)=CCN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000732210345 1121910298 /nfs/dbraw/zinc/91/02/98/1121910298.db2.gz RWXWWQCCOPVJST-BFYDXBDKSA-N 0 1 259.393 3.803 20 0 CHADMN C[C@@H](CN1CCOC[C@H]1C1CCC1)c1cccc(Cl)c1 ZINC001206399647 1121912185 /nfs/dbraw/zinc/91/21/85/1121912185.db2.gz COJYVLLWVYBKSR-GUYCJALGSA-N 0 1 293.838 3.944 20 0 CHADMN Clc1cnc(CNC[C@@H]2C[C@H]2C2CCCC2)s1 ZINC001179815249 1121913029 /nfs/dbraw/zinc/91/30/29/1121913029.db2.gz FFQSCKAGYIPEHZ-QWRGUYRKSA-N 0 1 270.829 3.712 20 0 CHADMN CC(C)N(Cc1ccccc1)Cc1ccc(F)cn1 ZINC000345767729 1121913807 /nfs/dbraw/zinc/91/38/07/1121913807.db2.gz HCPIHUGUIKKPHT-UHFFFAOYSA-N 0 1 258.340 3.631 20 0 CHADMN COc1cncc(CN2CCc3ccccc3[C@@H]2C)c1C ZINC001179855586 1121917475 /nfs/dbraw/zinc/91/74/75/1121917475.db2.gz WOKKRTBKRFLZQH-AWEZNQCLSA-N 0 1 282.387 3.518 20 0 CHADMN c1ccc([C@H](N[C@@H]2CCCc3ncccc32)C2CCC2)nc1 ZINC000631652986 1129018555 /nfs/dbraw/zinc/01/85/55/1129018555.db2.gz VTAFJYSGOXBANN-IEBWSBKVSA-N 0 1 293.414 3.985 20 0 CHADMN Cc1ccc([C@H](C)N(C)Cc2ccc(F)cn2)cc1 ZINC000345863549 1121923546 /nfs/dbraw/zinc/92/35/46/1121923546.db2.gz RDTCLXZQZWTNLT-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN CCS[C@H]1CCCCN(Cc2cccnc2Cl)C1 ZINC000732569675 1121928537 /nfs/dbraw/zinc/92/85/37/1121928537.db2.gz VKWIWYSVAYIRFW-ZDUSSCGKSA-N 0 1 284.856 3.843 20 0 CHADMN CCSCC[C@H](C)[N@@H+](C)Cc1ccc([O-])c(F)c1F ZINC001179957147 1121934098 /nfs/dbraw/zinc/93/40/98/1121934098.db2.gz LGEAASVYRUDEHZ-JTQLQIEISA-N 0 1 289.391 3.634 20 0 CHADMN Clc1ccc(-c2cc(-c3nc(C4CC4)no3)[nH]n2)cc1 ZINC000345960225 1121934128 /nfs/dbraw/zinc/93/41/28/1121934128.db2.gz BVLPJOLHNHHFNX-UHFFFAOYSA-N 0 1 286.722 3.658 20 0 CHADMN Cn1ccc([C@H](N[C@@H]2CCCC23CC3)c2ccc(F)cc2)n1 ZINC000631663765 1129019649 /nfs/dbraw/zinc/01/96/49/1129019649.db2.gz KILQQEPIBNMBSW-IAGOWNOFSA-N 0 1 299.393 3.571 20 0 CHADMN CCCCCC[C@H](C)CC(=O)NCc1cc(CC)[nH]n1 ZINC000732795142 1121938985 /nfs/dbraw/zinc/93/89/85/1121938985.db2.gz SSKUCQBNXLWEMT-ZDUSSCGKSA-N 0 1 279.428 3.585 20 0 CHADMN COC(=O)c1cc(C[N@H+]2CCC[C@@H](C)CC2)[nH]c1C(C)C ZINC001180029832 1121939324 /nfs/dbraw/zinc/93/93/24/1121939324.db2.gz FEHUVCLPFAMOAU-CYBMUJFWSA-N 0 1 292.423 3.547 20 0 CHADMN COc1cc(F)cc(CN(C)Cc2cc3ccccc3[nH]2)c1 ZINC001180093049 1121941291 /nfs/dbraw/zinc/94/12/91/1121941291.db2.gz PCAIZECBVUVXCC-UHFFFAOYSA-N 0 1 298.361 3.948 20 0 CHADMN CC1(C)CCCN(Cn2ccc(-c3ccsc3)n2)C1 ZINC000732979548 1121948966 /nfs/dbraw/zinc/94/89/66/1121948966.db2.gz GADDBLUQILLGIK-UHFFFAOYSA-N 0 1 275.421 3.691 20 0 CHADMN C[C@@H]1COC[C@@H](c2ccccc2)N1[C@H]1C=CCCC1 ZINC000501067430 1121949546 /nfs/dbraw/zinc/94/95/46/1121949546.db2.gz IVLGUXPWRLTKPL-PVAVHDDUSA-N 0 1 257.377 3.557 20 0 CHADMN CC(C)OCCN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732989704 1121950973 /nfs/dbraw/zinc/95/09/73/1121950973.db2.gz TZZZNEDGWFQBMH-HNNXBMFYSA-N 0 1 269.335 3.527 20 0 CHADMN Cc1occc1CN(CCCO)Cc1cccc(Cl)c1 ZINC000414414956 1121951610 /nfs/dbraw/zinc/95/16/10/1121951610.db2.gz UGHLKWZXZSEDBI-UHFFFAOYSA-N 0 1 293.794 3.626 20 0 CHADMN CCc1ncc(CN2CC[C@H](C)[C@H]2c2cccc(F)c2)cn1 ZINC000414419514 1121958993 /nfs/dbraw/zinc/95/89/93/1121958993.db2.gz ZTNNGOHCQVDRLW-UGSOOPFHSA-N 0 1 299.393 3.761 20 0 CHADMN CCNc1ccccc1CN(Cc1ccccn1)C(C)C ZINC001180166504 1121961237 /nfs/dbraw/zinc/96/12/37/1121961237.db2.gz QZZVAWVWCSEKJJ-UHFFFAOYSA-N 0 1 283.419 3.924 20 0 CHADMN Cc1ccnc(CN2CC[C@H](C)[C@H](C)C2)c1Br ZINC001180199236 1121965891 /nfs/dbraw/zinc/96/58/91/1121965891.db2.gz QLABWCJTCPHVJI-CMPLNLGQSA-N 0 1 297.240 3.630 20 0 CHADMN C[C@@H]1CCN(Cc2cn(C3CC3)cn2)[C@H]2CCCC[C@H]12 ZINC001180275013 1121967369 /nfs/dbraw/zinc/96/73/69/1121967369.db2.gz DFFPGXYRJOFOAP-XYPHTWIQSA-N 0 1 273.424 3.619 20 0 CHADMN Cc1ccc(N(C)C(=O)c2cccc3[nH]ncc32)cc1Cl ZINC000733268796 1121971443 /nfs/dbraw/zinc/97/14/43/1121971443.db2.gz RWUQIBHUQVPSKJ-UHFFFAOYSA-N 0 1 299.761 3.801 20 0 CHADMN CCN(C/C=C/c1cccc(F)c1)Cc1ccccn1 ZINC001180271272 1121971628 /nfs/dbraw/zinc/97/16/28/1121971628.db2.gz GWNBCHOUNZUYSN-SOFGYWHQSA-N 0 1 270.351 3.756 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)CCC(F)=C(F)F)ccc12 ZINC001180277775 1121975178 /nfs/dbraw/zinc/97/51/78/1121975178.db2.gz KXKRQDTZIJHLQL-UHFFFAOYSA-N 0 1 283.253 3.668 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@@H](C)c1cnc(C)s1 ZINC000631707836 1129022321 /nfs/dbraw/zinc/02/23/21/1129022321.db2.gz KSACPQZWQBGETI-DTWKUNHWSA-N 0 1 282.434 3.933 20 0 CHADMN CC(C)COC1CN(C[C@H](c2ccccc2)C(C)C)C1 ZINC001180345314 1121978521 /nfs/dbraw/zinc/97/85/21/1121978521.db2.gz UTUDYVRIGJAICX-SFHVURJKSA-N 0 1 275.436 3.783 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](C)c2cncc(C)c2)s1 ZINC000631707029 1129022479 /nfs/dbraw/zinc/02/24/79/1129022479.db2.gz DBKFXKWIRBMCTC-WDEREUQCSA-N 0 1 261.394 3.567 20 0 CHADMN CC(C)OC[C@@H](C)N[C@@H](C)c1c(F)cccc1Cl ZINC000501446056 1121979989 /nfs/dbraw/zinc/97/99/89/1121979989.db2.gz AJFJPBNBPCSOIV-MNOVXSKESA-N 0 1 273.779 3.943 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@H](C)c1cnc(C)s1 ZINC000631707838 1129022641 /nfs/dbraw/zinc/02/26/41/1129022641.db2.gz KSACPQZWQBGETI-RKDXNWHRSA-N 0 1 282.434 3.933 20 0 CHADMN COc1nc(CN(Cc2ccccc2C)C2CC2)ccc1C ZINC001180558848 1121998728 /nfs/dbraw/zinc/99/87/28/1121998728.db2.gz XFIGATMMYGLBRL-UHFFFAOYSA-N 0 1 296.414 3.872 20 0 CHADMN C[C@]1(CN(Cc2ccc(F)cc2F)C2CC2)CCCCO1 ZINC001180557313 1121999515 /nfs/dbraw/zinc/99/95/15/1121999515.db2.gz BLVSGVDCTFXSPA-QGZVFWFLSA-N 0 1 295.373 3.888 20 0 CHADMN Fc1cccc(CN[C@@H]2CCCc3ncccc32)c1F ZINC000631725555 1129024221 /nfs/dbraw/zinc/02/42/21/1129024221.db2.gz HVRMPCKPLYPYEU-OAHLLOKOSA-N 0 1 274.314 3.527 20 0 CHADMN COc1cccc2c1CCC[C@@H]2NCc1ccc(C)o1 ZINC000631729307 1129024235 /nfs/dbraw/zinc/02/42/35/1129024235.db2.gz BSVSKHXHGAOYBB-INIZCTEOSA-N 0 1 271.360 3.764 20 0 CHADMN Cc1cc(F)c(C(=O)Nc2cccc(Cl)c2O)cc1F ZINC000176752905 1122002726 /nfs/dbraw/zinc/00/27/26/1122002726.db2.gz LXDZOURSXOAULD-UHFFFAOYSA-N 0 1 297.688 3.885 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCc1ccoc1C ZINC000733699826 1122006687 /nfs/dbraw/zinc/00/66/87/1122006687.db2.gz GHNFUWNGRQZVCN-UHFFFAOYSA-N 0 1 296.326 3.644 20 0 CHADMN c1cc2c(s1)CC[N@H+](CCCOc1ccccc1)C2 ZINC000501780154 1122007620 /nfs/dbraw/zinc/00/76/20/1122007620.db2.gz DGFWUXVHNQWXEU-UHFFFAOYSA-N 0 1 273.401 3.575 20 0 CHADMN c1cc2c(s1)CCN(CCCOc1ccccc1)C2 ZINC000501780154 1122007624 /nfs/dbraw/zinc/00/76/24/1122007624.db2.gz DGFWUXVHNQWXEU-UHFFFAOYSA-N 0 1 273.401 3.575 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CC[C@@H](C)[C@H](C)C1 ZINC000501806637 1122009777 /nfs/dbraw/zinc/00/97/77/1122009777.db2.gz SZEXYWOPRDKEIA-CHWSQXEVSA-N 0 1 289.398 3.673 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Oc3ccccc3)nn2)C[C@@H]1C ZINC000501791892 1122010162 /nfs/dbraw/zinc/01/01/62/1122010162.db2.gz HQNRIIOTNDHYIO-CABCVRRESA-N 0 1 297.402 3.747 20 0 CHADMN CCC(CC)n1ccc(CN2CC[C@H](C)[C@@H](C)C2)n1 ZINC000501797115 1122010345 /nfs/dbraw/zinc/01/03/45/1122010345.db2.gz WEIMCSDFPPZZRJ-KBPBESRZSA-N 0 1 263.429 3.722 20 0 CHADMN Cc1ccc(CN[C@H]2CCCNc3ccccc32)o1 ZINC000631729854 1129025399 /nfs/dbraw/zinc/02/53/99/1129025399.db2.gz JTQJHDSGSPUVHF-INIZCTEOSA-N 0 1 256.349 3.625 20 0 CHADMN Cc1occc1CN[C@H]1CCCN(C)c2ccccc21 ZINC000414459723 1122020891 /nfs/dbraw/zinc/02/08/91/1122020891.db2.gz MMGDMDZDZJVECE-INIZCTEOSA-N 0 1 270.376 3.649 20 0 CHADMN C[C@H](CC1CCC1)N[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000631738436 1129025929 /nfs/dbraw/zinc/02/59/29/1129025929.db2.gz METDIXVJAPXTMH-MLGOLLRUSA-N 0 1 287.382 3.807 20 0 CHADMN CC[C@@H](C)[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000501951048 1122027599 /nfs/dbraw/zinc/02/75/99/1122027599.db2.gz OAIONSQEJGYHFD-LLVKDONJSA-N 0 1 260.356 3.854 20 0 CHADMN CC[C@@H](C)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000501951048 1122027606 /nfs/dbraw/zinc/02/76/06/1122027606.db2.gz OAIONSQEJGYHFD-LLVKDONJSA-N 0 1 260.356 3.854 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000631736210 1129026125 /nfs/dbraw/zinc/02/61/25/1129026125.db2.gz BLLAPFMZNUJYCT-HUUCEWRRSA-N 0 1 283.419 3.940 20 0 CHADMN Cc1occc1CN[C@@H](c1cccs1)C1(CO)CCC1 ZINC000414465649 1122029356 /nfs/dbraw/zinc/02/93/56/1122029356.db2.gz YBAIQSIRZDMHCC-HNNXBMFYSA-N 0 1 291.416 3.643 20 0 CHADMN Cc1occc1CN1CC(c2ccc(Cl)cc2)C1 ZINC000414472901 1122036701 /nfs/dbraw/zinc/03/67/01/1122036701.db2.gz UJVIXJSDVMKZTD-UHFFFAOYSA-N 0 1 261.752 3.841 20 0 CHADMN Cc1[nH]c2ccccc2c1CN1CC[C@@](C)(F)[C@H](F)C1 ZINC001204291744 1122043199 /nfs/dbraw/zinc/04/31/99/1122043199.db2.gz QBXCTDZXVRJUKV-HZPDHXFCSA-N 0 1 278.346 3.748 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC[C@H](CC(F)(F)F)C2)cn1 ZINC000420937825 1122045992 /nfs/dbraw/zinc/04/59/92/1122045992.db2.gz ADWLKWJATFFIQJ-VXGBXAGGSA-N 0 1 287.329 3.510 20 0 CHADMN Fc1ccccc1CN1CCC[C@H](CC(F)(F)F)C1 ZINC000420941299 1122046057 /nfs/dbraw/zinc/04/60/57/1122046057.db2.gz FJWXNTCIPQDBEW-LLVKDONJSA-N 0 1 275.289 3.990 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cnn(C2CCCC2)c1 ZINC000631753961 1129027666 /nfs/dbraw/zinc/02/76/66/1129027666.db2.gz WXWMOALFGHNYIA-ZWKOPEQDSA-N 0 1 287.329 3.600 20 0 CHADMN CCCSC[C@@H](C)NCc1c(F)cc(F)c(F)c1F ZINC001181390902 1122054190 /nfs/dbraw/zinc/05/41/90/1122054190.db2.gz NNPXHVUQFUCULU-MRVPVSSYSA-N 0 1 295.345 3.864 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2cn(C)nc2C2CC2)c1 ZINC001181446255 1122055968 /nfs/dbraw/zinc/05/59/68/1122055968.db2.gz WRLTXZDBEAOZPC-UHFFFAOYSA-N 0 1 283.419 3.546 20 0 CHADMN FC(F)C[C@@H](NCc1cccnc1)c1ccccc1 ZINC000420993696 1122057788 /nfs/dbraw/zinc/05/77/88/1122057788.db2.gz MFMLOCKHBUFNBW-CQSZACIVSA-N 0 1 262.303 3.568 20 0 CHADMN CCC(C)(C)NC(=O)CN(C(C)C)[C@H](C)c1ccsc1 ZINC000420999084 1122059683 /nfs/dbraw/zinc/05/96/83/1122059683.db2.gz BZTZKLDFZIURHV-CYBMUJFWSA-N 0 1 296.480 3.824 20 0 CHADMN C[C@H](CC12CC3CC(CC(C3)C1)C2)NCC(F)F ZINC001181590113 1122065042 /nfs/dbraw/zinc/06/50/42/1122065042.db2.gz NVSCAPOGKPTDRD-QFGHMXTESA-N 0 1 257.368 3.836 20 0 CHADMN C[C@@H]1CCCC[C@@H]1N(C)Cc1nc(Cl)cs1 ZINC001181637465 1122065595 /nfs/dbraw/zinc/06/55/95/1122065595.db2.gz HNQCTCQCFFUSAX-ZJUUUORDSA-N 0 1 258.818 3.807 20 0 CHADMN CC[C@@H](CC(C)C)C(=O)Nc1nc2cccc(C)c2[nH]1 ZINC001181807029 1122080458 /nfs/dbraw/zinc/08/04/58/1122080458.db2.gz XLZFGAGPWPHHHU-LBPRGKRZSA-N 0 1 273.380 3.882 20 0 CHADMN CC1(C)Cc2occc2[C@H](N[C@H]2CCCn3nccc32)C1 ZINC000631808520 1129030131 /nfs/dbraw/zinc/03/01/31/1129030131.db2.gz FIKFIPBWJVOAPH-UONOGXRCSA-N 0 1 285.391 3.614 20 0 CHADMN Clc1ccnc(Cl)c1CNc1ccc2c(n1)CCC2 ZINC001181828060 1122082899 /nfs/dbraw/zinc/08/28/99/1122082899.db2.gz QGAVDKPIFIWHNL-UHFFFAOYSA-N 0 1 294.185 3.884 20 0 CHADMN CC[C@H](N[C@H]1CCCn2nccc21)c1cc(C)ccc1OC ZINC000631809590 1129030423 /nfs/dbraw/zinc/03/04/23/1129030423.db2.gz LBNWTHFEBKXXGV-HOTGVXAUSA-N 0 1 299.418 3.776 20 0 CHADMN C[C@@H](N[C@@H]1CCCn2nccc21)c1cnc2ccsc2c1 ZINC000631810075 1129030990 /nfs/dbraw/zinc/03/09/90/1129030990.db2.gz WDJCBARUSGPBAW-DGCLKSJQSA-N 0 1 298.415 3.679 20 0 CHADMN CCN(Cc1ccc(Cl)c(C)c1Cl)[C@@H](C)CO ZINC001181985642 1122100761 /nfs/dbraw/zinc/10/07/61/1122100761.db2.gz FHCHIXWVJVFMFZ-VIFPVBQESA-N 0 1 276.207 3.505 20 0 CHADMN CC[C@](C)(C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)OC ZINC001181957030 1122101127 /nfs/dbraw/zinc/10/11/27/1122101127.db2.gz IETZBFBJMBCGHT-HZPDHXFCSA-N 0 1 297.826 3.528 20 0 CHADMN CC[C@](C)(CN1CCO[C@@H](c2ccc(Cl)cc2)C1)OC ZINC001181957030 1122101132 /nfs/dbraw/zinc/10/11/32/1122101132.db2.gz IETZBFBJMBCGHT-HZPDHXFCSA-N 0 1 297.826 3.528 20 0 CHADMN CC[C@@H](N[C@H]1CCCn2nccc21)c1ccccc1F ZINC000631810630 1129031240 /nfs/dbraw/zinc/03/12/40/1129031240.db2.gz XCONXZOAVUTVIC-CABCVRRESA-N 0 1 273.355 3.598 20 0 CHADMN C[C@@H](N[C@H]1CCCn2nccc21)c1csc(Cl)c1 ZINC000631810538 1129031291 /nfs/dbraw/zinc/03/12/91/1129031291.db2.gz VGPGSHOZAYDVAG-KOLCDFICSA-N 0 1 281.812 3.784 20 0 CHADMN Cc1c(Cl)c(CNC[C@@H](C)c2ccc(C)cc2)nn1C ZINC000421372129 1122103359 /nfs/dbraw/zinc/10/33/59/1122103359.db2.gz YJHLVXSABAGBTQ-GFCCVEGCSA-N 0 1 291.826 3.584 20 0 CHADMN Oc1cccc(CN[C@@H](CC(F)F)c2ccccc2)c1 ZINC000421375208 1122103489 /nfs/dbraw/zinc/10/34/89/1122103489.db2.gz QBNVRXIHVSMNAF-HNNXBMFYSA-N 0 1 277.314 3.878 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CN[C@@H]1CCCC[C@H]1F ZINC000414513971 1122105583 /nfs/dbraw/zinc/10/55/83/1122105583.db2.gz QLFAWKSRLOHDBV-HUUCEWRRSA-N 0 1 281.419 3.625 20 0 CHADMN Cc1ccoc1CN(C)C/C=C/c1cccc(F)c1 ZINC001182043609 1122106423 /nfs/dbraw/zinc/10/64/23/1122106423.db2.gz MTXTVRBIGBDXHA-GQCTYLIASA-N 0 1 259.324 3.872 20 0 CHADMN COC(=O)c1cc(CN2CC3(CCC3)[C@@H]2C(C)C)cs1 ZINC001182084815 1122110299 /nfs/dbraw/zinc/11/02/99/1122110299.db2.gz BVUMNQRODCGDDX-AWEZNQCLSA-N 0 1 293.432 3.545 20 0 CHADMN CC(F)(F)CCNCc1cncc(Cl)c1Cl ZINC001182098723 1122111873 /nfs/dbraw/zinc/11/18/73/1122111873.db2.gz HUTCZHCFNZBGRK-UHFFFAOYSA-N 0 1 269.122 3.523 20 0 CHADMN CN(C)c1c(CN2CCC(C3CC3)CC2)ccc(F)c1F ZINC001182196530 1122119257 /nfs/dbraw/zinc/11/92/57/1122119257.db2.gz SIOPUVPFAGZHTB-UHFFFAOYSA-N 0 1 294.389 3.653 20 0 CHADMN C[C@@H]1[C@H](C(=O)[O-])CCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000263062169 1129032344 /nfs/dbraw/zinc/03/23/44/1129032344.db2.gz MYLRIIGVSPUXHH-CXAGYDPISA-N 0 1 283.371 3.525 20 0 CHADMN CCc1cccc(Cl)c1CN1CCC[C@@H]2COC[C@@H]21 ZINC001182271872 1122126292 /nfs/dbraw/zinc/12/62/92/1122126292.db2.gz LLEVMBXBWCGZLN-CJNGLKHVSA-N 0 1 279.811 3.513 20 0 CHADMN CC(C)[C@@H]1N(Cc2c(F)cccc2F)CC12CCOCC2 ZINC000414530487 1122136800 /nfs/dbraw/zinc/13/68/00/1122136800.db2.gz QNHPXCMVCYKDLF-INIZCTEOSA-N 0 1 295.373 3.602 20 0 CHADMN Cc1cc([C@H](C)N[C@H](c2ccc(F)cc2)C(C)C)nn1C ZINC000502684761 1122136829 /nfs/dbraw/zinc/13/68/29/1122136829.db2.gz NKNKPTZAFUZXIX-GUYCJALGSA-N 0 1 289.398 3.916 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccsc1Cl ZINC000263137038 1129033903 /nfs/dbraw/zinc/03/39/03/1129033903.db2.gz MDYBBPHFYXXPLR-DLOVCJGASA-N 0 1 299.823 3.619 20 0 CHADMN CC(C)C1(c2ccccc2)CN(Cc2cncs2)C1 ZINC000414530624 1122137485 /nfs/dbraw/zinc/13/74/85/1122137485.db2.gz DXXIPCIREVVYMY-UHFFFAOYSA-N 0 1 272.417 3.553 20 0 CHADMN CCC[C@H](C(=O)OCC)N1CCC[C@@H]1c1cccs1 ZINC000502721270 1122142087 /nfs/dbraw/zinc/14/20/87/1122142087.db2.gz IEFAYYUORALHCA-CHWSQXEVSA-N 0 1 281.421 3.617 20 0 CHADMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(C)nc1Cl ZINC000688552750 1129034855 /nfs/dbraw/zinc/03/48/55/1129034855.db2.gz VMWBGGBJVWKEQM-GWCFXTLKSA-N 0 1 252.789 3.664 20 0 CHADMN COCc1cccc(CN2CCc3cc(F)cc(C)c3C2)c1 ZINC000502892059 1122154269 /nfs/dbraw/zinc/15/42/69/1122154269.db2.gz IYRXYNOZEUTEHQ-UHFFFAOYSA-N 0 1 299.389 3.839 20 0 CHADMN COc1ccc(CN2CCSC[C@@H]2C2CCC2)c(F)c1 ZINC001182464213 1122167027 /nfs/dbraw/zinc/16/70/27/1122167027.db2.gz YRHLFXNOBMIJSE-MRXNPFEDSA-N 0 1 295.423 3.552 20 0 CHADMN CC[C@@H](NCc1c(F)c(F)c(F)c(F)c1F)C1CC1 ZINC000774509009 1122171241 /nfs/dbraw/zinc/17/12/41/1122171241.db2.gz QHGDZRWIOSSRQQ-MRVPVSSYSA-N 0 1 279.252 3.660 20 0 CHADMN CC[C@@H](NCc1cnccc1C)c1cc(F)ccc1F ZINC000271784975 1122175227 /nfs/dbraw/zinc/17/52/27/1122175227.db2.gz MHRJUABBENTBTQ-MRXNPFEDSA-N 0 1 276.330 3.909 20 0 CHADMN CO[C@H](c1ccccc1F)[C@H](C)N[C@H](C)c1ccco1 ZINC000271855850 1122179304 /nfs/dbraw/zinc/17/93/04/1122179304.db2.gz JJHSBQPKBJJGNQ-WQGACYEGSA-N 0 1 277.339 3.846 20 0 CHADMN CO[C@H](c1ccccc1F)[C@H](C)N[C@@H](C)c1nccs1 ZINC000271878037 1122180147 /nfs/dbraw/zinc/18/01/47/1122180147.db2.gz OQLQRMLMVNBASS-MJVIPROJSA-N 0 1 294.395 3.709 20 0 CHADMN CO[C@H](C[N@H+]1CCc2ccc(Cl)cc2[C@H](C)C1)C1CC1 ZINC001182712520 1122183495 /nfs/dbraw/zinc/18/34/95/1122183495.db2.gz AVDKEQSLWSUFAW-SJKOYZFVSA-N 0 1 293.838 3.727 20 0 CHADMN CO[C@@H](C[N@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1)C1CC1 ZINC001182712519 1122183517 /nfs/dbraw/zinc/18/35/17/1122183517.db2.gz AVDKEQSLWSUFAW-SJCJKPOMSA-N 0 1 293.838 3.727 20 0 CHADMN COc1ccc(CN2CC[C@](C)(c3cccc(F)c3)C2)o1 ZINC001182753857 1122185039 /nfs/dbraw/zinc/18/50/39/1122185039.db2.gz LCNDMHQAHQNNAM-KRWDZBQOSA-N 0 1 289.350 3.591 20 0 CHADMN COc1ccc(CN[C@H](C)c2cccc(C)c2C)nc1 ZINC000271995603 1122185966 /nfs/dbraw/zinc/18/59/66/1122185966.db2.gz HBMHCQXPDHYONC-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1ccc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)c(F)c1 ZINC001182726445 1122186420 /nfs/dbraw/zinc/18/64/20/1122186420.db2.gz SFTQMNWTJMTGGU-OAHLLOKOSA-N 0 1 265.372 3.524 20 0 CHADMN Cc1ccc(CN2CCC[C@@H](OC(C)C)C2)c(F)c1 ZINC001182726445 1122186422 /nfs/dbraw/zinc/18/64/22/1122186422.db2.gz SFTQMNWTJMTGGU-OAHLLOKOSA-N 0 1 265.372 3.524 20 0 CHADMN COc1cc(C)nc(CN[C@@H](C)c2cccc(C)c2C)c1 ZINC000272082049 1122189289 /nfs/dbraw/zinc/18/92/89/1122189289.db2.gz BEZQZVNOWOSJQZ-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN Cc1ccnc(N)c1CN1CCc2ccc(C(C)C)cc2C1 ZINC001182781218 1122189366 /nfs/dbraw/zinc/18/93/66/1122189366.db2.gz IOLSPDSFMQQUTE-UHFFFAOYSA-N 0 1 295.430 3.654 20 0 CHADMN CCCc1ccc(CN2C[C@@H](C)OCC23CCC3)s1 ZINC001206543747 1122194508 /nfs/dbraw/zinc/19/45/08/1122194508.db2.gz DYWNNAYTKJWKDX-CYBMUJFWSA-N 0 1 279.449 3.844 20 0 CHADMN C[C@H](NCc1ccns1)c1cccc(OC(F)F)c1 ZINC000404464627 1122196137 /nfs/dbraw/zinc/19/61/37/1122196137.db2.gz RMQOSOVUPQAELB-VIFPVBQESA-N 0 1 284.331 3.595 20 0 CHADMN CC[C@H](CN1C[C@@H](C)O[C@](C)(C(F)F)C1)c1ccccc1 ZINC001182970691 1122198032 /nfs/dbraw/zinc/19/80/32/1122198032.db2.gz PNTVEODQSFKRET-CPUCHLNUSA-N 0 1 297.389 3.925 20 0 CHADMN OCc1ccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000272375504 1122199479 /nfs/dbraw/zinc/19/94/79/1122199479.db2.gz VGBSYCUBWUBHFB-SFHVURJKSA-N 0 1 285.362 3.655 20 0 CHADMN CC(C)c1nnc(CNCC[C@H]2CCCC2(C)C)s1 ZINC001183009291 1122199865 /nfs/dbraw/zinc/19/98/65/1122199865.db2.gz BPYSGMRFZWSFRK-GFCCVEGCSA-N 0 1 281.469 3.968 20 0 CHADMN COCC[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1ccco1 ZINC000272414864 1122201047 /nfs/dbraw/zinc/20/10/47/1122201047.db2.gz HCGLELNVBJLGCJ-HZPDHXFCSA-N 0 1 289.350 3.773 20 0 CHADMN COCC[C@H](N[C@@H]1CCc2ccc(F)cc21)c1ccco1 ZINC000272414858 1122201406 /nfs/dbraw/zinc/20/14/06/1122201406.db2.gz HCGLELNVBJLGCJ-CVEARBPZSA-N 0 1 289.350 3.773 20 0 CHADMN COCC[C@H](N[C@H](C)c1ccc(F)c(F)c1)c1ccco1 ZINC000272519677 1122205141 /nfs/dbraw/zinc/20/51/41/1122205141.db2.gz XMQAPKMPBAJKOZ-ABAIWWIYSA-N 0 1 295.329 3.986 20 0 CHADMN CC[C@@H](C)[C@H](CNC1(c2c(F)cccc2F)CCC1)OC ZINC001183189820 1122209288 /nfs/dbraw/zinc/20/92/88/1122209288.db2.gz ZBALNICYYBTOHG-DOMZBBRYSA-N 0 1 297.389 3.995 20 0 CHADMN C/C=C/C[C@@H]1CCCN(Cc2c(Cl)n[nH]c2CC)C1 ZINC001183171499 1122209491 /nfs/dbraw/zinc/20/94/91/1122209491.db2.gz VMQFVTSMACUXBW-OGOUPESXSA-N 0 1 281.831 3.804 20 0 CHADMN CSc1ccccc1CN(C)[C@@H](C)c1cccnc1 ZINC000272686421 1122210273 /nfs/dbraw/zinc/21/02/73/1122210273.db2.gz DBJHZCIKDPUDJT-ZDUSSCGKSA-N 0 1 272.417 3.997 20 0 CHADMN Cc1cccc([C@H]2CCN(Cc3nccn3C(C)C)C2)c1 ZINC000273106117 1122220403 /nfs/dbraw/zinc/22/04/03/1122220403.db2.gz PNUKTDOWIJBVRM-KRWDZBQOSA-N 0 1 283.419 3.762 20 0 CHADMN CC[C@H]1[C@@H](C)CCN1CN1c2cccc3cccc(c23)C1=O ZINC000774624799 1122221532 /nfs/dbraw/zinc/22/15/32/1122221532.db2.gz MEWBBWINJCNCHU-BBRMVZONSA-N 0 1 294.398 3.878 20 0 CHADMN COc1cc(C)c([C@H](C)N[C@H]2CCCc3c[nH]nc32)cc1C ZINC000273138600 1122222190 /nfs/dbraw/zinc/22/21/90/1122222190.db2.gz CSNMEVCEBUYVCV-BBRMVZONSA-N 0 1 299.418 3.763 20 0 CHADMN C[C@]1(c2ccccc2)CC[C@H](N2CCn3cccc3C2)C1 ZINC001183737535 1122237829 /nfs/dbraw/zinc/23/78/29/1122237829.db2.gz AEICAVBUGXCACW-HKUYNNGSSA-N 0 1 280.415 3.814 20 0 CHADMN CCC[C@@H](NCc1ccc(F)cc1F)c1cccnc1 ZINC000273618473 1122241052 /nfs/dbraw/zinc/24/10/52/1122241052.db2.gz YJOMDNGITSIYDD-MRXNPFEDSA-N 0 1 276.330 3.991 20 0 CHADMN Cc1nnc([C@@H](C)NCCCc2ccc(Cl)cc2)s1 ZINC000273624984 1122241586 /nfs/dbraw/zinc/24/15/86/1122241586.db2.gz RFPHSWFBSIUIFT-SNVBAGLBSA-N 0 1 295.839 3.783 20 0 CHADMN Cc1cc(C)c(/C=C/C[N@H+]2CCO[C@@H](C)CC2)c(C)c1 ZINC001183919480 1122248777 /nfs/dbraw/zinc/24/87/77/1122248777.db2.gz LNJWFZNLJQVBIS-RTRPANQVSA-N 0 1 273.420 3.736 20 0 CHADMN CC[C@H]1CCC[C@@H](CN2CCn3nc(C4CC4)cc3C2)C1 ZINC001184105653 1122254742 /nfs/dbraw/zinc/25/47/42/1122254742.db2.gz BACKAVMQZKYIMC-LSDHHAIUSA-N 0 1 287.451 3.793 20 0 CHADMN CC[C@H](CC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1)C(C)(C)C ZINC000632199327 1129041790 /nfs/dbraw/zinc/04/17/90/1129041790.db2.gz WSPFHJLBKAMOMP-VXGBXAGGSA-N 0 1 294.443 3.568 20 0 CHADMN C[C@H](C1CCCCC1)N(C)Cc1nccn1C1CC1 ZINC000894272322 1122256797 /nfs/dbraw/zinc/25/67/97/1122256797.db2.gz WAXFRJLVRALDLM-CYBMUJFWSA-N 0 1 261.413 3.619 20 0 CHADMN C/C(=C\c1ccccc1)CN1CC(C)(C)OC[C@@H]1C ZINC000503573223 1122268857 /nfs/dbraw/zinc/26/88/57/1122268857.db2.gz XGWSQUMFRKFWDX-IPJDOKCGSA-N 0 1 259.393 3.589 20 0 CHADMN CC(C)c1nnc(CNC[C@@H]2C[C@H]2C2CCCC2)s1 ZINC001184387915 1122272596 /nfs/dbraw/zinc/27/25/96/1122272596.db2.gz NZJVMKYDYBRNHQ-STQMWFEESA-N 0 1 279.453 3.577 20 0 CHADMN CSc1ccc(CN2CCO[C@H](C(C)(C)C)CC2)o1 ZINC001184375954 1122272847 /nfs/dbraw/zinc/27/28/47/1122272847.db2.gz XZBNNBRPEJPBDK-ZDUSSCGKSA-N 0 1 283.437 3.639 20 0 CHADMN Cc1noc([C@H](NC2CC(c3ccc(C)cc3)C2)C(C)C)n1 ZINC001184441218 1122275363 /nfs/dbraw/zinc/27/53/63/1122275363.db2.gz WIRGZFOIJYBGQQ-OFLPRAFFSA-N 0 1 299.418 3.919 20 0 CHADMN Cc1ncsc1CN[C@@H]1CCCc2c(Cl)ccnc21 ZINC000924968595 1122303793 /nfs/dbraw/zinc/30/37/93/1122303793.db2.gz BROFAYQGGDEBDV-GFCCVEGCSA-N 0 1 293.823 3.667 20 0 CHADMN Cn1ncc(C2CC2)c1CNc1ccnc2cc(F)ccc21 ZINC000664393777 1122315267 /nfs/dbraw/zinc/31/52/67/1122315267.db2.gz YHZHFUOAXIYDEN-UHFFFAOYSA-N 0 1 296.349 3.597 20 0 CHADMN Cc1ccc(-c2cc(-c3nc(C(C)(C)C)no3)[nH]n2)cc1 ZINC000505050082 1122319325 /nfs/dbraw/zinc/31/93/25/1122319325.db2.gz GNZNNNZQHDBCFA-UHFFFAOYSA-N 0 1 282.347 3.733 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2cccc(Cl)n2)cc1 ZINC000774835146 1122320650 /nfs/dbraw/zinc/32/06/50/1122320650.db2.gz JLFVKTAHAFFJOT-GFCCVEGCSA-N 0 1 290.794 3.985 20 0 CHADMN CCN(Cc1ccccc1Cl)C[C@H]1CCC=CO1 ZINC000774832638 1122321643 /nfs/dbraw/zinc/32/16/43/1122321643.db2.gz KCTYPVRXQRWFME-CQSZACIVSA-N 0 1 265.784 3.855 20 0 CHADMN C[C@@]1(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)C[C@@H]1F ZINC000424629871 1122321728 /nfs/dbraw/zinc/32/17/28/1122321728.db2.gz OZDJBYPAKILILG-XJKSGUPXSA-N 0 1 287.338 3.517 20 0 CHADMN C[C@H](NCc1cccn1C)c1ccc(F)cc1OC(F)F ZINC000268891751 1122350470 /nfs/dbraw/zinc/35/04/70/1122350470.db2.gz DFEZMUPWIGXZPG-JTQLQIEISA-N 0 1 298.308 3.616 20 0 CHADMN Clc1cccc(CCN2CCCSCC2)c1Cl ZINC000434482984 1122372966 /nfs/dbraw/zinc/37/29/66/1122372966.db2.gz KYMFONKOXQUYKD-UHFFFAOYSA-N 0 1 290.259 3.975 20 0 CHADMN Cc1ccsc1CCNc1ccncc1C(F)(F)F ZINC001185939642 1122367424 /nfs/dbraw/zinc/36/74/24/1122367424.db2.gz KBDCRHBPSXPMQV-UHFFFAOYSA-N 0 1 286.322 3.547 20 0 CHADMN CC(C)CC[C@H]1CCCCN1Cc1ncnn1C(C)C ZINC000434476668 1122371178 /nfs/dbraw/zinc/37/11/78/1122371178.db2.gz KTZZMXPBXHTDRZ-OAHLLOKOSA-N 0 1 278.444 3.650 20 0 CHADMN CN1Cc2ccccc2[C@@H](Nc2nc3ccc(F)cc3o2)C1 ZINC001186021946 1122372962 /nfs/dbraw/zinc/37/29/62/1122372962.db2.gz IRKYHTMCHYSDNO-HNNXBMFYSA-N 0 1 297.333 3.566 20 0 CHADMN Cc1ncc(CN2CCC(F)(c3ccccc3)CC2)s1 ZINC000434499297 1122373312 /nfs/dbraw/zinc/37/33/12/1122373312.db2.gz LORMXCHPNLBBML-UHFFFAOYSA-N 0 1 290.407 3.912 20 0 CHADMN CC1(C)CCN(Cc2nc(C3CC3)cs2)CCS1 ZINC000434682586 1122394489 /nfs/dbraw/zinc/39/44/89/1122394489.db2.gz WPNFFKKWGGMGPP-UHFFFAOYSA-N 0 1 282.478 3.738 20 0 CHADMN CC[C@@H]1CCCC[C@H]1CNc1nc(Cl)nc2[nH]cnc21 ZINC001186585881 1122398222 /nfs/dbraw/zinc/39/82/22/1122398222.db2.gz SXVYFCPPMJPPIH-ZJUUUORDSA-N 0 1 293.802 3.586 20 0 CHADMN CC(C)[C@@H]1N(Cc2cnc(C(C)(C)C)nc2)CC12CCC2 ZINC000430092320 1122402122 /nfs/dbraw/zinc/40/21/22/1122402122.db2.gz YZOBXUCCJKISFW-HNNXBMFYSA-N 0 1 287.451 3.785 20 0 CHADMN Cc1cccn2c(CN(C)Cc3cccc(C)c3C)cnc12 ZINC000430094886 1122403439 /nfs/dbraw/zinc/40/34/39/1122403439.db2.gz LUJDTPZJKLXBQJ-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN COCc1ccc(CN(C)Cc2cccc(C)c2C)o1 ZINC000430108481 1122405098 /nfs/dbraw/zinc/40/50/98/1122405098.db2.gz VQLWRQOXWZVCES-UHFFFAOYSA-N 0 1 273.376 3.675 20 0 CHADMN C[C@@H](CCC(C)(C)C)NC(=O)c1cc2[nH]cnc2cc1F ZINC000425170456 1122405497 /nfs/dbraw/zinc/40/54/97/1122405497.db2.gz ADPFMBXADXDMFV-JTQLQIEISA-N 0 1 291.370 3.647 20 0 CHADMN CCc1nnc([C@@H](C)N2CC[C@@](C)(c3ccc(C)cc3)C2)o1 ZINC000434749566 1122408789 /nfs/dbraw/zinc/40/87/89/1122408789.db2.gz VZKFWYADRXPNDT-RDTXWAMCSA-N 0 1 299.418 3.665 20 0 CHADMN CC[C@@H](C)[C@@H](N[C@H](C)C1CCCCCC1)C(=O)OC ZINC001642677177 1129053172 /nfs/dbraw/zinc/05/31/72/1129053172.db2.gz ZNLIADGXPKQXNT-UMVBOHGHSA-N 0 1 269.429 3.523 20 0 CHADMN CC(C)c1ccc(CN(C)Cc2cccn2C)cc1 ZINC000505570169 1122422352 /nfs/dbraw/zinc/42/23/52/1122422352.db2.gz FPYIMEBVGGQNCM-UHFFFAOYSA-N 0 1 256.393 3.781 20 0 CHADMN Cc1ccc(CN(C)[C@@H](C)C2(C)CC2)c(Cl)n1 ZINC000688613103 1129053615 /nfs/dbraw/zinc/05/36/15/1129053615.db2.gz TVTOEWCTYPNLHQ-NSHDSACASA-N 0 1 252.789 3.664 20 0 CHADMN CCOc1cccc(CN(C)Cc2ccccc2OC)c1 ZINC000505584446 1122425605 /nfs/dbraw/zinc/42/56/05/1122425605.db2.gz HDEAWBAFDFOZLD-UHFFFAOYSA-N 0 1 285.387 3.726 20 0 CHADMN COc1ccc(CN2CC[C@@H]2c2ccccc2)c(OC)c1 ZINC000434987924 1122426394 /nfs/dbraw/zinc/42/63/94/1122426394.db2.gz WKSMSLJJHXRACW-QGZVFWFLSA-N 0 1 283.371 3.651 20 0 CHADMN C[N@@H+](Cc1cccc(F)c1)Cc1cccc2cc[nH]c21 ZINC000505589783 1122428842 /nfs/dbraw/zinc/42/88/42/1122428842.db2.gz HKUKSJHHOGUGBK-UHFFFAOYSA-N 0 1 268.335 3.939 20 0 CHADMN CCCC(CCC)NCc1noc(-c2ccccc2F)n1 ZINC000435025290 1122430380 /nfs/dbraw/zinc/43/03/80/1122430380.db2.gz WEDFDCSVWLAWCR-UHFFFAOYSA-N 0 1 291.370 3.934 20 0 CHADMN CCN(Cc1ccc(-c2cc[nH]n2)o1)Cc1cccc(F)c1 ZINC000435133532 1122436986 /nfs/dbraw/zinc/43/69/86/1122436986.db2.gz RJELCXGVWTYCHW-UHFFFAOYSA-N 0 1 299.349 3.831 20 0 CHADMN Cc1ccccc1CN(C)Cc1cnc2cccc(C)n12 ZINC000505613796 1122439871 /nfs/dbraw/zinc/43/98/71/1122439871.db2.gz WDEUAIWLDWACLD-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN CCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000514710641 1122442932 /nfs/dbraw/zinc/44/29/32/1122442932.db2.gz FIEOBYYVDZYZMN-INIZCTEOSA-N 0 1 296.414 3.844 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC000514736025 1122445376 /nfs/dbraw/zinc/44/53/76/1122445376.db2.gz ISFZPKHSMWTFQK-SFHVURJKSA-N 0 1 297.398 3.767 20 0 CHADMN Cc1ccccc1-c1cc(C(=O)N(C(C)C)C(C)C)n[nH]1 ZINC001187964170 1122447288 /nfs/dbraw/zinc/44/72/88/1122447288.db2.gz QDCBZWBUIXJAGW-UHFFFAOYSA-N 0 1 285.391 3.644 20 0 CHADMN Cc1ccc(NC(=O)Nc2ncc(Cl)cc2O)cc1F ZINC001187956655 1122448010 /nfs/dbraw/zinc/44/80/10/1122448010.db2.gz LFFBKJSWNDAAFQ-UHFFFAOYSA-N 0 1 295.701 3.532 20 0 CHADMN Cc1[nH]ncc1C(=O)Nc1cc(C2CCCCC2)ccc1O ZINC001188058641 1122453221 /nfs/dbraw/zinc/45/32/21/1122453221.db2.gz FWFPZBSKKWVZOC-UHFFFAOYSA-N 0 1 299.374 3.724 20 0 CHADMN CS[C@@H]1CC[C@H]1N[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000425337893 1122457535 /nfs/dbraw/zinc/45/75/35/1122457535.db2.gz AKRYUFDXRJRSDA-NXHRZFHOSA-N 0 1 298.455 3.963 20 0 CHADMN CC(C)n1cncc1CN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000425339253 1122457668 /nfs/dbraw/zinc/45/76/68/1122457668.db2.gz RKJFJKAINBHYBE-WMLDXEAASA-N 0 1 269.392 3.657 20 0 CHADMN CC(C)COc1ccc(CCN[C@H](C)c2ncco2)cc1 ZINC000924993681 1122465368 /nfs/dbraw/zinc/46/53/68/1122465368.db2.gz VMFXUHRSCSJSNI-CQSZACIVSA-N 0 1 288.391 3.603 20 0 CHADMN CCC[C@H]1CCCN(CC(=O)Nc2ccc(C)c(F)c2)C1 ZINC001167958927 1122465848 /nfs/dbraw/zinc/46/58/48/1122465848.db2.gz MKWLCWISBUDABG-AWEZNQCLSA-N 0 1 292.398 3.585 20 0 CHADMN CC(C)(C)c1nc(CSC[C@@H]2CC2(Cl)Cl)n[nH]1 ZINC001188650118 1122470219 /nfs/dbraw/zinc/47/02/19/1122470219.db2.gz JQNXYRCACRJZGP-ZETCQYMHSA-N 0 1 294.251 3.529 20 0 CHADMN CCCC(CCC)SCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001188683561 1122473473 /nfs/dbraw/zinc/47/34/73/1122473473.db2.gz HOJGMCVGVOLAEW-OKILXGFUSA-N 0 1 273.486 3.798 20 0 CHADMN CC[C@@H]1CN(CCC2CCCCCC2)C[C@@H](C)[S@]1=O ZINC000515093022 1122476389 /nfs/dbraw/zinc/47/63/89/1122476389.db2.gz BRPNSZSKPFYOMQ-IDHHARJASA-N 0 1 285.497 3.578 20 0 CHADMN Cc1cc(C(=O)Nc2c(Cl)ccc(O)c2Cl)ccn1 ZINC001188789700 1122477878 /nfs/dbraw/zinc/47/78/78/1122477878.db2.gz HYDVXXGWNMBEER-UHFFFAOYSA-N 0 1 297.141 3.655 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000435618286 1122478108 /nfs/dbraw/zinc/47/81/08/1122478108.db2.gz SMIGOHUEGPSCJA-GOPGUHFVSA-N 0 1 291.354 3.551 20 0 CHADMN FC(F)(F)c1cccc(CN2C3CCC2CC3)c1 ZINC000515122772 1122478723 /nfs/dbraw/zinc/47/87/23/1122478723.db2.gz LGGYGTAZPSJRRP-UHFFFAOYSA-N 0 1 255.283 3.832 20 0 CHADMN CSc1ccc(CCNCc2ncc(Cl)s2)cc1 ZINC000435747352 1122485670 /nfs/dbraw/zinc/48/56/70/1122485670.db2.gz HEHVALHNFYYJBW-UHFFFAOYSA-N 0 1 298.864 3.851 20 0 CHADMN Fc1cccc([C@H]2C[C@H](NCc3ncc(Cl)s3)C2)c1 ZINC000435733518 1122485990 /nfs/dbraw/zinc/48/59/90/1122485990.db2.gz CEEISTYHVHNNCG-UMSPYCQHSA-N 0 1 296.798 3.971 20 0 CHADMN C[C@H]1CN(CCSCc2ccccc2Cl)C[C@H](C)O1 ZINC001189119856 1122490218 /nfs/dbraw/zinc/49/02/18/1122490218.db2.gz DMCAZQYUJFMCSX-STQMWFEESA-N 0 1 299.867 3.682 20 0 CHADMN COc1ccc2cc(Nc3ccc4cncn4c3)cnc2c1 ZINC001250327213 1122495885 /nfs/dbraw/zinc/49/58/85/1122495885.db2.gz LAMZVWIETYVBRR-UHFFFAOYSA-N 0 1 290.326 3.635 20 0 CHADMN CSc1ccc(Cc2cccc3nc[nH]c32)cc1 ZINC001250336424 1122503229 /nfs/dbraw/zinc/50/32/29/1122503229.db2.gz ATJQQIOKGFZFDH-UHFFFAOYSA-N 0 1 254.358 3.876 20 0 CHADMN COc1cc(F)c(Cl)cc1Nc1ccc2cncn2c1 ZINC001250334648 1122504158 /nfs/dbraw/zinc/50/41/58/1122504158.db2.gz ABRLPSXEDXQSFL-UHFFFAOYSA-N 0 1 291.713 3.879 20 0 CHADMN c1ccc(CCCN2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000515546985 1122507412 /nfs/dbraw/zinc/50/74/12/1122507412.db2.gz CGQZGSYWHFBMBI-LJQANCHMSA-N 0 1 281.399 3.693 20 0 CHADMN CC(C)c1noc(CN2CC[C@H](C)[C@@H]3CCCC[C@H]32)n1 ZINC000515547226 1122508794 /nfs/dbraw/zinc/50/87/94/1122508794.db2.gz LDVMIGKIATVTRG-MELADBBJSA-N 0 1 277.412 3.594 20 0 CHADMN CC(C)c1noc(CN2CC[C@H](C)[C@H]3CCCC[C@H]32)n1 ZINC000515547221 1122509117 /nfs/dbraw/zinc/50/91/17/1122509117.db2.gz LDVMIGKIATVTRG-BFHYXJOUSA-N 0 1 277.412 3.594 20 0 CHADMN CCc1cccc(CC)c1NC([O-])=[NH+]c1ccnc(C)c1 ZINC001189738430 1122512797 /nfs/dbraw/zinc/51/27/97/1122512797.db2.gz GTPSXXHAGMDDDL-UHFFFAOYSA-N 0 1 283.375 3.581 20 0 CHADMN COc1c(F)cc(F)cc1CN1CCC2(CCCC2)C1 ZINC001143560972 1122513659 /nfs/dbraw/zinc/51/36/59/1122513659.db2.gz GJSRESSUTYEQHD-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN CCN(CC(C)C)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000436093803 1122513884 /nfs/dbraw/zinc/51/38/84/1122513884.db2.gz VVVQGARSNVPLRJ-UHFFFAOYSA-N 0 1 299.418 3.812 20 0 CHADMN CC1=CCCN([C@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000436263431 1122530079 /nfs/dbraw/zinc/53/00/79/1122530079.db2.gz SGRQPIQALJQOKP-OAHLLOKOSA-N 0 1 294.398 3.819 20 0 CHADMN Cc1cccc([C@H](C)NCc2cnc3ccccc3n2)c1 ZINC000157277287 1122532642 /nfs/dbraw/zinc/53/26/42/1122532642.db2.gz GQZOTCSHCMTRLI-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN CCC[N@H+](Cc1cc(-c2ccco2)on1)CC(C)C ZINC000505785970 1122532963 /nfs/dbraw/zinc/53/29/63/1122532963.db2.gz XLRODMNNOHEQNC-UHFFFAOYSA-N 0 1 262.353 3.803 20 0 CHADMN C[C@@H](c1ccccc1F)N(C)C[C@H]1CCC2(CCC2)O1 ZINC001190393263 1122535459 /nfs/dbraw/zinc/53/54/59/1122535459.db2.gz ZMDQHXWBCVIBSR-UONOGXRCSA-N 0 1 277.383 3.920 20 0 CHADMN CCCCN(CC1=NOCC1)[C@H](C)c1ccc(C)o1 ZINC001190589374 1122546932 /nfs/dbraw/zinc/54/69/32/1122546932.db2.gz OKZDAPMQXUCMQJ-CYBMUJFWSA-N 0 1 264.369 3.527 20 0 CHADMN CCN(Cc1ccccc1F)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001190627567 1122549250 /nfs/dbraw/zinc/54/92/50/1122549250.db2.gz ISONTWWCAQJVBE-DOTOQJQBSA-N 0 1 277.383 3.605 20 0 CHADMN [O-]c1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c(F)c(F)c1Cl ZINC001250387023 1122549257 /nfs/dbraw/zinc/54/92/57/1122549257.db2.gz GAUKMIZBXRVNLT-RKDXNWHRSA-N 0 1 287.737 3.556 20 0 CHADMN C[C@H]1CCc2ccccc2[C@H]1NCc1cccc(F)n1 ZINC000775416207 1122557776 /nfs/dbraw/zinc/55/77/76/1122557776.db2.gz WSPADDAOFYHIRO-SJCJKPOMSA-N 0 1 270.351 3.634 20 0 CHADMN O=C(Nc1cc(C2CC2)ccn1)c1ccc(O)c(Cl)c1 ZINC000436619735 1122565849 /nfs/dbraw/zinc/56/58/49/1122565849.db2.gz XOUYJPSWYLWWIR-UHFFFAOYSA-N 0 1 288.734 3.570 20 0 CHADMN CC1CCC(C)(NC(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000436634154 1122566279 /nfs/dbraw/zinc/56/62/79/1122566279.db2.gz NYFZDFWORHGOAM-UHFFFAOYSA-N 0 1 281.783 3.744 20 0 CHADMN Cc1cc(CN(CCc2cccc(F)c2)C2CC2)sn1 ZINC001191070248 1122568655 /nfs/dbraw/zinc/56/86/55/1122568655.db2.gz JQNUIZUTKQZQEA-UHFFFAOYSA-N 0 1 290.407 3.798 20 0 CHADMN C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc(O)c(Cl)c1 ZINC000436683003 1122571064 /nfs/dbraw/zinc/57/10/64/1122571064.db2.gz SHHRXJFHSJKUCV-NEPJUHHUSA-N 0 1 295.810 3.992 20 0 CHADMN CCN(C(=O)c1cccc2[nH]ncc21)c1ccccc1C ZINC000516128992 1122571329 /nfs/dbraw/zinc/57/13/29/1122571329.db2.gz VFWUQTHDRKEYLH-UHFFFAOYSA-N 0 1 279.343 3.538 20 0 CHADMN COCC(C)(C)N(C)Cc1ncc(-c2ccccc2C)o1 ZINC000516135007 1122571776 /nfs/dbraw/zinc/57/17/76/1122571776.db2.gz ZOUYPENLAOSJMI-UHFFFAOYSA-N 0 1 288.391 3.507 20 0 CHADMN C[C@@H]1CC[C@]2(CCN(C(=O)c3ccc(O)c(Cl)c3)C2)C1 ZINC000436726143 1122574250 /nfs/dbraw/zinc/57/42/50/1122574250.db2.gz WMZYKHXPXZIEOS-BZNIZROVSA-N 0 1 293.794 3.698 20 0 CHADMN Oc1c(F)cc(-c2nc3c(cccc3Cl)[nH]2)cc1F ZINC000436742853 1122577098 /nfs/dbraw/zinc/57/70/98/1122577098.db2.gz WEIKSFQCGYUUFR-UHFFFAOYSA-N 0 1 280.661 3.867 20 0 CHADMN COc1cccc(Cl)c1C[N@H+]1CCCC[C@H]1C ZINC000505881343 1122581618 /nfs/dbraw/zinc/58/16/18/1122581618.db2.gz JVIXZXJFEKRGTE-LLVKDONJSA-N 0 1 253.773 3.723 20 0 CHADMN COc1cccc(Cl)c1CN1CCCC[C@H]1C ZINC000505881343 1122581622 /nfs/dbraw/zinc/58/16/22/1122581622.db2.gz JVIXZXJFEKRGTE-LLVKDONJSA-N 0 1 253.773 3.723 20 0 CHADMN CO[C@]1(C)C[C@@H](N(C)Cc2cc(F)ccc2F)C1(C)C ZINC001191202650 1122582189 /nfs/dbraw/zinc/58/21/89/1122582189.db2.gz HWDHGIXYCZIKLM-GDBMZVCRSA-N 0 1 283.362 3.600 20 0 CHADMN C[C@@H]1CN(C(=O)c2ccc(O)c(Cl)c2)CC(C)(C)C1 ZINC000436839319 1122588120 /nfs/dbraw/zinc/58/81/20/1122588120.db2.gz TZDKFGHDDHJJAN-JTQLQIEISA-N 0 1 281.783 3.554 20 0 CHADMN O=C(Nc1cc(O)c(F)c(F)c1)NC1CCCCCC1 ZINC001191270075 1122588131 /nfs/dbraw/zinc/58/81/31/1122588131.db2.gz GNJNJWXKNFBVGS-UHFFFAOYSA-N 0 1 284.306 3.515 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)c2c(C)cccc2C)c1 ZINC000436840058 1122588293 /nfs/dbraw/zinc/58/82/93/1122588293.db2.gz VKTHLROCUACQPL-UHFFFAOYSA-N 0 1 297.354 3.854 20 0 CHADMN CCc1cnc(CN(C)C[C@@H]2CCCC[C@H]2C)s1 ZINC001191358547 1122593239 /nfs/dbraw/zinc/59/32/39/1122593239.db2.gz MQSYVFRZJXOTNA-OLZOCXBDSA-N 0 1 266.454 3.964 20 0 CHADMN CC[C@@H](C)C[N@@H+](CC)CC(=O)Nc1cccc(Cl)c1 ZINC001191373427 1122596061 /nfs/dbraw/zinc/59/60/61/1122596061.db2.gz BPFJBBAMKVFRAC-GFCCVEGCSA-N 0 1 282.815 3.647 20 0 CHADMN Fc1ccc(OCCNC2(c3ccccc3F)CC2)cc1 ZINC000775452520 1122598116 /nfs/dbraw/zinc/59/81/16/1122598116.db2.gz YRHRJRHWNIVIJV-UHFFFAOYSA-N 0 1 289.325 3.623 20 0 CHADMN Fc1ccc(F)c2c1CCN(CC1CC3(CCC3)C1)C2 ZINC001191415663 1122598573 /nfs/dbraw/zinc/59/85/73/1122598573.db2.gz ABDKWLHCJFDOQA-UHFFFAOYSA-N 0 1 277.358 3.903 20 0 CHADMN COc1ccc(Cl)c(C[N@@H+](C)[C@H](C)C2(C)CC2)c1 ZINC001191463848 1122603146 /nfs/dbraw/zinc/60/31/46/1122603146.db2.gz GVHGZZFSKYTFPX-LLVKDONJSA-N 0 1 267.800 3.969 20 0 CHADMN CC(C)[C@H]1c2ccccc2CCN1Cc1ccnc(F)c1 ZINC001191540556 1122604356 /nfs/dbraw/zinc/60/43/56/1122604356.db2.gz KKLGYLPXEBQCNR-SFHVURJKSA-N 0 1 284.378 3.976 20 0 CHADMN O=C(c1ccc2cncn2c1)N1CCCC[C@H]1CC1CCC1 ZINC000620569773 1129065742 /nfs/dbraw/zinc/06/57/42/1129065742.db2.gz SPRHNGYCWWBTQJ-INIZCTEOSA-N 0 1 297.402 3.519 20 0 CHADMN C[C@@H](NCC1(C)CC1)c1nc(C2CCCCC2)no1 ZINC000516615049 1122616859 /nfs/dbraw/zinc/61/68/59/1122616859.db2.gz GXCQRUQIELYOHA-LLVKDONJSA-N 0 1 263.385 3.568 20 0 CHADMN COC(=O)c1ccoc1CN1CCCC[C@H]1CCC(C)C ZINC001191920609 1122620465 /nfs/dbraw/zinc/62/04/65/1122620465.db2.gz JRSOCMFLCMRNGZ-AWEZNQCLSA-N 0 1 293.407 3.857 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc(C(F)(F)F)cn2)c1F ZINC001250448102 1122628134 /nfs/dbraw/zinc/62/81/34/1122628134.db2.gz SYJYTEHLLDNONS-UHFFFAOYSA-N 0 1 293.166 3.890 20 0 CHADMN COCCN(Cc1cccs1)Cc1ccc(F)cc1C ZINC000506036390 1122628881 /nfs/dbraw/zinc/62/88/81/1122628881.db2.gz XSNHVQQDJGIFNB-UHFFFAOYSA-N 0 1 293.407 3.844 20 0 CHADMN CC1=CCCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000437345763 1122629173 /nfs/dbraw/zinc/62/91/73/1122629173.db2.gz JMLUWUDHXAWWLO-UHFFFAOYSA-N 0 1 262.422 3.953 20 0 CHADMN CCC[C@@]1(C)CCCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000437370540 1122630158 /nfs/dbraw/zinc/63/01/58/1122630158.db2.gz HHMDKXAJROKMHG-KRWDZBQOSA-N 0 1 285.391 3.605 20 0 CHADMN COc1cccc(CN2CCC=C(C)C2)c1OC(C)C ZINC000437347469 1122630501 /nfs/dbraw/zinc/63/05/01/1122630501.db2.gz PJQLIPIZDAVBNB-UHFFFAOYSA-N 0 1 275.392 3.634 20 0 CHADMN CCO[C@@H](CN1CCc2c(F)cc(F)cc2[C@H]1C)C1CC1 ZINC001192213859 1122632350 /nfs/dbraw/zinc/63/23/50/1122632350.db2.gz MIHIYCFHLWUWCM-DIFFPNOSSA-N 0 1 295.373 3.699 20 0 CHADMN CCC[C@]1(C)CCCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000437385580 1122632842 /nfs/dbraw/zinc/63/28/42/1122632842.db2.gz NOJUBNHHJNMRPQ-GOSISDBHSA-N 0 1 299.418 3.914 20 0 CHADMN CC(C)=CCC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC001192252466 1122634298 /nfs/dbraw/zinc/63/42/98/1122634298.db2.gz IRKFGHFOOCTONG-SFHVURJKSA-N 0 1 271.404 3.517 20 0 CHADMN CO[C@H](CN1CCc2ccc(F)c(F)c2C1)C1CCCC1 ZINC001192233639 1122636825 /nfs/dbraw/zinc/63/68/25/1122636825.db2.gz IBHLDWKBDUQOAZ-MRXNPFEDSA-N 0 1 295.373 3.528 20 0 CHADMN Cc1nc(CN(C)C[C@H](C)c2ccc(F)cc2)cs1 ZINC000437579944 1122642222 /nfs/dbraw/zinc/64/22/22/1122642222.db2.gz JDJQSDPJJYFODG-NSHDSACASA-N 0 1 278.396 3.826 20 0 CHADMN CC[C@@H](N[C@@H](C)c1snnc1C)c1ccc(F)cc1 ZINC001192442539 1122646848 /nfs/dbraw/zinc/64/68/48/1122646848.db2.gz ASAPIAOWYUQEDN-TVQRCGJNSA-N 0 1 279.384 3.788 20 0 CHADMN Cn1cc(CN[C@@H](c2ccc(F)cc2F)C(C)(C)C)cn1 ZINC001192575972 1122652131 /nfs/dbraw/zinc/65/21/31/1122652131.db2.gz ZHZZEEHHBSTDEQ-HNNXBMFYSA-N 0 1 293.361 3.575 20 0 CHADMN C=Cc1ccc(NC(=O)c2c(O)ccc(F)c2F)cc1 ZINC001192764687 1122658077 /nfs/dbraw/zinc/65/80/77/1122658077.db2.gz LSRYEQCXNOEJSN-UHFFFAOYSA-N 0 1 275.254 3.566 20 0 CHADMN CCOC(=O)CN(C[C@H](C)CC)[C@H](C)c1ccccc1 ZINC001192966846 1122667966 /nfs/dbraw/zinc/66/79/66/1122667966.db2.gz YIVSRALGVDCXLD-HUUCEWRRSA-N 0 1 277.408 3.659 20 0 CHADMN CC(C)(O)c1ccc(CN[C@@H]2CSc3ccccc32)cc1 ZINC000775569021 1122673500 /nfs/dbraw/zinc/67/35/00/1122673500.db2.gz NXHCCVSCHBGTQK-MRXNPFEDSA-N 0 1 299.439 3.851 20 0 CHADMN Cc1ccc2cc(CN3CCOCC34CCCC4)ccc2n1 ZINC000438108236 1122679239 /nfs/dbraw/zinc/67/92/39/1122679239.db2.gz YJLBBIXJDMMYAR-UHFFFAOYSA-N 0 1 296.414 3.688 20 0 CHADMN CC(F)(F)CCCN1CCO[C@@H](CCc2ccccc2)C1 ZINC001193198813 1122681088 /nfs/dbraw/zinc/68/10/88/1122681088.db2.gz WCGPDXQMNUMSPS-INIZCTEOSA-N 0 1 297.389 3.755 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1c(Cl)cnn1C ZINC000438121405 1122682688 /nfs/dbraw/zinc/68/26/88/1122682688.db2.gz PBLXPFQBZNMMFX-LBPRGKRZSA-N 0 1 269.820 3.618 20 0 CHADMN Cc1c[nH]c(C)c1C(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001193358165 1122686592 /nfs/dbraw/zinc/68/65/92/1122686592.db2.gz PFMSYUWPTHAIFW-UHFFFAOYSA-N 0 1 299.157 3.896 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)c3ccsc3C)cc(F)c12 ZINC001193379127 1122687639 /nfs/dbraw/zinc/68/76/39/1122687639.db2.gz VFGWFKWTJMJUOZ-UHFFFAOYSA-N 0 1 289.335 3.633 20 0 CHADMN CCc1cnc(CN(C)CC2(c3ccccc3)CC2)s1 ZINC000438260483 1122688268 /nfs/dbraw/zinc/68/82/68/1122688268.db2.gz OZUPXLQMVRAHDK-UHFFFAOYSA-N 0 1 286.444 3.869 20 0 CHADMN COc1ccccc1CNCc1ccccc1N(C)C(C)C ZINC000438343101 1122693228 /nfs/dbraw/zinc/69/32/28/1122693228.db2.gz AVIXUTYFLGECNV-UHFFFAOYSA-N 0 1 298.430 3.830 20 0 CHADMN Cc1cccc(CN(C)Cc2c[nH]nc2C(C)(C)C)c1 ZINC000506217671 1122696246 /nfs/dbraw/zinc/69/62/46/1122696246.db2.gz LARAVBFSEPFTCI-UHFFFAOYSA-N 0 1 271.408 3.648 20 0 CHADMN CC(C)[C@@H](CC(F)(F)F)NCc1nc2ccccc2[nH]1 ZINC000438465111 1122701591 /nfs/dbraw/zinc/70/15/91/1122701591.db2.gz AATTWWFAWNAABI-GFCCVEGCSA-N 0 1 285.313 3.630 20 0 CHADMN CC(C)C[C@@H]1COCCN1Cc1cccc(OC(C)C)c1 ZINC000506240384 1122701683 /nfs/dbraw/zinc/70/16/83/1122701683.db2.gz MFNZPOOHSHYYKV-QGZVFWFLSA-N 0 1 291.435 3.721 20 0 CHADMN CC(C)[C@@H](CC(F)(F)F)NCc1nc2ccccc2n1C ZINC000438478068 1122702876 /nfs/dbraw/zinc/70/28/76/1122702876.db2.gz NFJWUFCTBQHBSK-GFCCVEGCSA-N 0 1 299.340 3.640 20 0 CHADMN Fc1ccc(F)c(CN2CCC(C3CCOCC3)CC2)c1 ZINC000153573263 1129072385 /nfs/dbraw/zinc/07/23/85/1129072385.db2.gz PUNVCGUHOBKWHM-UHFFFAOYSA-N 0 1 295.373 3.603 20 0 CHADMN CCCc1csc(CN2C[C@@H](C)C[C@H](C)C2)n1 ZINC000426035917 1122704862 /nfs/dbraw/zinc/70/48/62/1122704862.db2.gz OFGMKXMHIZANNX-RYUDHWBXSA-N 0 1 252.427 3.574 20 0 CHADMN CCCc1csc(CN2CCCC[C@H]2CC)n1 ZINC000426039530 1122705910 /nfs/dbraw/zinc/70/59/10/1122705910.db2.gz NJLVHQOJBZYCJX-CYBMUJFWSA-N 0 1 252.427 3.860 20 0 CHADMN CCc1nc([C@@H](C)NC2CC3(C2)COC(C)(C)C3)cs1 ZINC000925033586 1122706653 /nfs/dbraw/zinc/70/66/53/1122706653.db2.gz MLXMBIIBPCFTGJ-OPGSHWCFSA-N 0 1 294.464 3.704 20 0 CHADMN C[C@H](N[C@@H]1CCCc2n[nH]cc21)c1ccc(F)cc1Cl ZINC000334520571 1122708437 /nfs/dbraw/zinc/70/84/37/1122708437.db2.gz LMFUAONADUPEEF-LKFCYVNXSA-N 0 1 293.773 3.930 20 0 CHADMN O=C(Nc1ccsc1Cl)c1cccc2[nH]ncc21 ZINC000438568439 1122712015 /nfs/dbraw/zinc/71/20/15/1122712015.db2.gz JTLBTOYCFOALME-UHFFFAOYSA-N 0 1 277.736 3.530 20 0 CHADMN CCCc1nc(C)c(CN[C@H]2c3ccccc3C[C@@H]2C)o1 ZINC000293893874 1122719140 /nfs/dbraw/zinc/71/91/40/1122719140.db2.gz ZHXOITZKVPEPHV-KPZWWZAWSA-N 0 1 284.403 3.959 20 0 CHADMN COc1cc(C[N@@H+](C)Cc2cc(C)c(C)cc2C)ccc1O ZINC000506355875 1122723107 /nfs/dbraw/zinc/72/31/07/1122723107.db2.gz LNEWFCAHDRHDDU-UHFFFAOYSA-N 0 1 299.414 3.958 20 0 CHADMN Clc1csc(CN2CCC[C@H](OCC3CC3)C2)c1 ZINC000426155620 1122725207 /nfs/dbraw/zinc/72/52/07/1122725207.db2.gz ZELQDVPPKFONAY-ZDUSSCGKSA-N 0 1 285.840 3.793 20 0 CHADMN CC[C@@H]1CCCN(Cc2cccc(OC)c2OC(F)F)C1 ZINC000509548277 1122726444 /nfs/dbraw/zinc/72/64/44/1122726444.db2.gz GETHJDXYEIWPEX-GFCCVEGCSA-N 0 1 299.361 3.919 20 0 CHADMN CCC(CC)n1ccc(CN(C)[C@@H]2CC[C@H](C)C2)n1 ZINC000429595865 1122729856 /nfs/dbraw/zinc/72/98/56/1122729856.db2.gz XMNMAISQIZUSTR-XJKSGUPXSA-N 0 1 263.429 3.865 20 0 CHADMN CCCC[C@@H](CC)COC(=O)Nc1ncc(F)cc1O ZINC001193950783 1122737491 /nfs/dbraw/zinc/73/74/91/1122737491.db2.gz GIZCILJAGDFNKI-SNVBAGLBSA-N 0 1 284.331 3.691 20 0 CHADMN Cc1ccccc1OCCCN1CCO[C@@H](C(C)(C)C)C1 ZINC001194010738 1122738220 /nfs/dbraw/zinc/73/82/20/1122738220.db2.gz ZKPIMSGYIWCMAJ-QGZVFWFLSA-N 0 1 291.435 3.511 20 0 CHADMN COc1ccc(CNc2nccn2-c2ccccc2)cc1C ZINC000438935983 1122741306 /nfs/dbraw/zinc/74/13/06/1122741306.db2.gz ZPYVENDFACPCTJ-UHFFFAOYSA-N 0 1 293.370 3.801 20 0 CHADMN O=C(Nc1c(O)cc(F)cc1F)Oc1ccc(Cl)cc1 ZINC001194055623 1122743939 /nfs/dbraw/zinc/74/39/39/1122743939.db2.gz IZDFRPNLHYYXOT-UHFFFAOYSA-N 0 1 299.660 3.935 20 0 CHADMN C[C@H]1CCCC[C@@H]1OCC[N@H+]1CCOC2(CCCCC2)C1 ZINC001194058041 1122744331 /nfs/dbraw/zinc/74/43/31/1122744331.db2.gz HZNGXNSPSVQBHA-IRXDYDNUSA-N 0 1 295.467 3.617 20 0 CHADMN C[C@H]1CCCC[C@@H]1OCCN1CCOC2(CCCCC2)C1 ZINC001194058041 1122744333 /nfs/dbraw/zinc/74/43/33/1122744333.db2.gz HZNGXNSPSVQBHA-IRXDYDNUSA-N 0 1 295.467 3.617 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(C2CC2)c1)c1cnccn1 ZINC000295417339 1122749435 /nfs/dbraw/zinc/74/94/35/1122749435.db2.gz NEVUZYLSDGTJBV-QWHCGFSZSA-N 0 1 267.376 3.766 20 0 CHADMN CCC[C@@](C)(O)CN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000925046529 1122752533 /nfs/dbraw/zinc/75/25/33/1122752533.db2.gz RFKRBKXSXIYDPG-RTBURBONSA-N 0 1 298.430 3.620 20 0 CHADMN CCC[C@@](C)(O)CN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000925046528 1122753085 /nfs/dbraw/zinc/75/30/85/1122753085.db2.gz RFKRBKXSXIYDPG-RBUKOAKNSA-N 0 1 298.430 3.620 20 0 CHADMN Cc1ccccc1[C@@H](N[C@H](c1nccn1C)C1CC1)C1CC1 ZINC000638591939 1122753390 /nfs/dbraw/zinc/75/33/90/1122753390.db2.gz NPBNWLCFFMHDRB-ROUUACIJSA-N 0 1 295.430 3.921 20 0 CHADMN COCc1ccc(CN(C)Cc2cc(C)cc(C)c2)o1 ZINC000518474882 1122759730 /nfs/dbraw/zinc/75/97/30/1122759730.db2.gz KDKNMRPOWXNSKZ-UHFFFAOYSA-N 0 1 273.376 3.675 20 0 CHADMN CO[C@H]1CC[N@H+]([C@@H](C)c2nc3ccccc3o2)CC1(C)C ZINC000296171958 1122764209 /nfs/dbraw/zinc/76/42/09/1122764209.db2.gz UYZNVMFKSWCDBC-WFASDCNBSA-N 0 1 288.391 3.636 20 0 CHADMN CO[C@H]1CCN([C@@H](C)c2nc3ccccc3o2)CC1(C)C ZINC000296171958 1122764212 /nfs/dbraw/zinc/76/42/12/1122764212.db2.gz UYZNVMFKSWCDBC-WFASDCNBSA-N 0 1 288.391 3.636 20 0 CHADMN CON1CCN(Cc2ccc(C(C)C)cc2C(C)C)CC1 ZINC001194313195 1122764412 /nfs/dbraw/zinc/76/44/12/1122764412.db2.gz GIECNQWGNZVRLK-UHFFFAOYSA-N 0 1 290.451 3.612 20 0 CHADMN COc1ccc(Cl)c(CN(C)[C@@H](CO)CC(C)(C)C)c1 ZINC001194386544 1122771078 /nfs/dbraw/zinc/77/10/78/1122771078.db2.gz YWWKKGJSPMXWIZ-CYBMUJFWSA-N 0 1 299.842 3.578 20 0 CHADMN CCCc1csc(C[N@H+]2CCCCC[C@@H]2C)n1 ZINC000426364237 1122774255 /nfs/dbraw/zinc/77/42/55/1122774255.db2.gz YHKPNODWSGHVHI-LBPRGKRZSA-N 0 1 252.427 3.860 20 0 CHADMN C/C(=C/c1ccccc1)C[N@H+](C)Cc1cccc(O)c1 ZINC000426375551 1122776912 /nfs/dbraw/zinc/77/69/12/1122776912.db2.gz DXBCUPVITFCPOA-PTNGSMBKSA-N 0 1 267.372 3.928 20 0 CHADMN C/C(=C\c1ccccc1)C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000426375225 1122776965 /nfs/dbraw/zinc/77/69/65/1122776965.db2.gz ARBKXTOWEYFSPT-FOWTUZBSSA-N 0 1 299.389 3.724 20 0 CHADMN CCCCCc1ccc(NS(=O)(=O)c2ccoc2)cc1 ZINC000506575291 1122779094 /nfs/dbraw/zinc/77/90/94/1122779094.db2.gz AMZPJXPPTYIWLF-UHFFFAOYSA-N 0 1 293.388 3.813 20 0 CHADMN CN(Cc1c(F)cccc1F)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001194561864 1122784315 /nfs/dbraw/zinc/78/43/15/1122784315.db2.gz GPPYOSBLKCFXJI-FRRDWIJNSA-N 0 1 265.347 3.833 20 0 CHADMN CC(C)c1ccccc1N(C)C(=O)c1cccc2nc[nH]c21 ZINC000426402925 1122787032 /nfs/dbraw/zinc/78/70/32/1122787032.db2.gz JJBSJWZREASZBQ-UHFFFAOYSA-N 0 1 293.370 3.963 20 0 CHADMN CCC(CC)COC(=O)Nc1cc(O)c(F)c(F)c1 ZINC001194708789 1122796445 /nfs/dbraw/zinc/79/64/45/1122796445.db2.gz JZSUHRDFONOVEE-UHFFFAOYSA-N 0 1 273.279 3.655 20 0 CHADMN c1csc(-c2nc(CN3CC[C@@H]4CCC[C@H]43)co2)c1 ZINC000426461427 1122798077 /nfs/dbraw/zinc/79/80/77/1122798077.db2.gz PDQDINZNMPZSQT-WCQYABFASA-N 0 1 274.389 3.778 20 0 CHADMN CCC(CC)CN(CC)[C@@H](C)c1nc(C2CC2)no1 ZINC000153843176 1129078773 /nfs/dbraw/zinc/07/87/73/1129078773.db2.gz DDLWBPMFZXBEMY-NSHDSACASA-N 0 1 265.401 3.766 20 0 CHADMN CC[C@@H](C)COC(=O)Nc1cccc(Cl)c1O ZINC001194801323 1122804504 /nfs/dbraw/zinc/80/45/04/1122804504.db2.gz VGVIWINODZWOKQ-MRVPVSSYSA-N 0 1 257.717 3.640 20 0 CHADMN CCn1nc(C)c(CN[C@H](C)c2cccc(F)c2)c1C ZINC000307973036 1129079373 /nfs/dbraw/zinc/07/93/73/1129079373.db2.gz YDUYSQXONLYIOR-LLVKDONJSA-N 0 1 275.371 3.510 20 0 CHADMN C[C@H](NCc1ccccc1F)c1ccc(F)cc1N(C)C ZINC000153946056 1129079737 /nfs/dbraw/zinc/07/97/37/1129079737.db2.gz SXEPUNJOMYFZOQ-LBPRGKRZSA-N 0 1 290.357 3.882 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@H](C(F)(F)F)C2)c1 ZINC000506766762 1122826444 /nfs/dbraw/zinc/82/64/44/1122826444.db2.gz LNGZCGKYAREAEJ-LBPRGKRZSA-N 0 1 275.289 3.908 20 0 CHADMN CCCN(CCC)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000426589413 1122829038 /nfs/dbraw/zinc/82/90/38/1122829038.db2.gz WYBIJCMRUOJHSL-UHFFFAOYSA-N 0 1 299.418 3.956 20 0 CHADMN c1nc2cc(-c3noc([C@@H]4CCC[C@H]5C[C@H]54)n3)ccc2[nH]1 ZINC000664791297 1122831716 /nfs/dbraw/zinc/83/17/16/1122831716.db2.gz FHJCEZMZHRDNAM-MVWJERBFSA-N 0 1 280.331 3.517 20 0 CHADMN Cc1nc2c(n1CCCc1cccc(F)c1)CCCC2 ZINC000519376288 1122833747 /nfs/dbraw/zinc/83/37/47/1122833747.db2.gz SSEDXQUPFJGJAO-UHFFFAOYSA-N 0 1 272.367 3.842 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@H](C)c2cc3ccccc3[nH]2)n[nH]1 ZINC000775630864 1122834684 /nfs/dbraw/zinc/83/46/84/1122834684.db2.gz UAQPJBCXTIURAV-NEPJUHHUSA-N 0 1 297.406 3.821 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@H](C)c1cn2ccccc2n1 ZINC000519423377 1122837375 /nfs/dbraw/zinc/83/73/75/1122837375.db2.gz FBTCTNAOKYYXCJ-GHMZBOCLSA-N 0 1 285.313 3.716 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCC[C@H]1O ZINC001203803999 1122848392 /nfs/dbraw/zinc/84/83/92/1122848392.db2.gz JSDXBIPGDGCSEB-QMTHXVAHSA-N 0 1 288.218 3.586 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCCC3(C)C)n[nH]2)cc1C ZINC000473628002 1122851405 /nfs/dbraw/zinc/85/14/05/1122851405.db2.gz WBMMHGGFFXSQAO-UHFFFAOYSA-N 0 1 297.402 3.708 20 0 CHADMN COc1cccc([C@@H]2C[C@@H](C)CN2Cc2[nH]nc(C)c2C)c1 ZINC000894446648 1122853553 /nfs/dbraw/zinc/85/35/53/1122853553.db2.gz XLOIUMXYOIGJSO-XIKOKIGWSA-N 0 1 299.418 3.618 20 0 CHADMN COc1ccc2c(c1)CN(Cc1ccc(C)o1)CCC2 ZINC001203300791 1122858884 /nfs/dbraw/zinc/85/88/84/1122858884.db2.gz UNBFHXSXIKHFJB-UHFFFAOYSA-N 0 1 271.360 3.545 20 0 CHADMN CO[C@H](CN1CC(C)(C)[C@H]1c1cccnc1)c1ccccc1 ZINC000664819029 1122862452 /nfs/dbraw/zinc/86/24/52/1122862452.db2.gz KAWGHZOFUANIIV-QZTJIDSGSA-N 0 1 296.414 3.852 20 0 CHADMN Cc1ncoc1CN[C@@H]1CCc2ccc(C(C)C)cc21 ZINC000894504414 1122863983 /nfs/dbraw/zinc/86/39/83/1122863983.db2.gz RFNDTOUEJPAWOV-MRXNPFEDSA-N 0 1 270.376 3.884 20 0 CHADMN Cc1cc2nc(-c3nc(C(F)(F)F)c[nH]3)[nH]c2c(C)c1 ZINC001250636321 1122866429 /nfs/dbraw/zinc/86/64/29/1122866429.db2.gz CDZSAMFRRIELLO-UHFFFAOYSA-N 0 1 280.253 3.589 20 0 CHADMN C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1cccc2ccccc21 ZINC000053017189 1122867415 /nfs/dbraw/zinc/86/74/15/1122867415.db2.gz YUUSPEOCUDUBNL-AWEZNQCLSA-N 0 1 298.430 3.575 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3[C@H](C)CC[C@@H]3C)n[nH]2)cc1C ZINC000440455713 1122867806 /nfs/dbraw/zinc/86/78/06/1122867806.db2.gz ARAKCNHNGDSXAS-OKILXGFUSA-N 0 1 297.402 3.707 20 0 CHADMN CC1(C)CN(CCCOc2ccccc2)[C@H]1c1cccnc1 ZINC000664826570 1122868136 /nfs/dbraw/zinc/86/81/36/1122868136.db2.gz UBPVPUKNDOANPA-SFHVURJKSA-N 0 1 296.414 3.934 20 0 CHADMN CC[C@@H](NCc1ccc(C)nc1C)c1ccccc1OC ZINC000775651598 1122869047 /nfs/dbraw/zinc/86/90/47/1122869047.db2.gz YCAZMBFVXGZBNF-QGZVFWFLSA-N 0 1 284.403 3.948 20 0 CHADMN Cc1nc(CN2CC3(CCC3)[C@H]2C2CC2)sc1C ZINC000894543797 1122871170 /nfs/dbraw/zinc/87/11/70/1122871170.db2.gz DMZHFKBDRUXBRV-CQSZACIVSA-N 0 1 262.422 3.524 20 0 CHADMN CCN(Cc1ccncc1)Cc1cnc2c(F)cccc2c1 ZINC001205706380 1122871976 /nfs/dbraw/zinc/87/19/76/1122871976.db2.gz HDZZKXHTTSRSTE-UHFFFAOYSA-N 0 1 295.361 3.791 20 0 CHADMN Cc1ncoc1CNCc1ccc(C2CCC2)cc1 ZINC000894559721 1122872837 /nfs/dbraw/zinc/87/28/37/1122872837.db2.gz SGRSXSFHSRQSLZ-UHFFFAOYSA-N 0 1 256.349 3.540 20 0 CHADMN CC[N@@H+](CCn1cccn1)Cc1cc(Cl)cc(Cl)c1 ZINC001203810998 1122878740 /nfs/dbraw/zinc/87/87/40/1122878740.db2.gz MTYMYFMCXNIZKI-UHFFFAOYSA-N 0 1 298.217 3.712 20 0 CHADMN CCc1onc(C)c1CNCc1ccc(C(C)(F)F)cc1 ZINC000894609791 1122879910 /nfs/dbraw/zinc/87/99/10/1122879910.db2.gz GVCLAZHLFCRIIY-UHFFFAOYSA-N 0 1 294.345 3.947 20 0 CHADMN CC(C)CCOCCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000664834787 1122880666 /nfs/dbraw/zinc/88/06/66/1122880666.db2.gz VHBGKUVDSUZKKJ-MRXNPFEDSA-N 0 1 276.424 3.527 20 0 CHADMN C[C@@H]1CN(Cc2sccc2NC(=O)OC(C)(C)C)[C@H]1C ZINC000894626982 1122884265 /nfs/dbraw/zinc/88/42/65/1122884265.db2.gz BDGQIZAHUHGSOW-MNOVXSKESA-N 0 1 296.436 3.935 20 0 CHADMN O=C(Nc1[nH]nc2c1cccc2Cl)c1ccc(Cl)o1 ZINC000154192023 1129084254 /nfs/dbraw/zinc/08/42/54/1129084254.db2.gz HDZYWGGAGATAEY-UHFFFAOYSA-N 0 1 296.113 3.715 20 0 CHADMN CC[C@@H]1CN(CCSc2cccc(Cl)c2)[C@H](C)CO1 ZINC001195749392 1122887898 /nfs/dbraw/zinc/88/78/98/1122887898.db2.gz SFEAGLIOHSIERM-TZMCWYRMSA-N 0 1 299.867 3.931 20 0 CHADMN CC(C)c1ncc(CN(C)Cc2ccc3c(c2)CCC3)cn1 ZINC000440466618 1122891363 /nfs/dbraw/zinc/89/13/63/1122891363.db2.gz UINSNPJTYNYUKS-UHFFFAOYSA-N 0 1 295.430 3.721 20 0 CHADMN FC(F)(F)[C@@H]1CC=C(Nc2cncnc2Cl)CC1 ZINC001195835635 1122892144 /nfs/dbraw/zinc/89/21/44/1122892144.db2.gz PUTRFIXIBZAQTE-SSDOTTSWSA-N 0 1 277.677 3.788 20 0 CHADMN COc1ccc([C@H](NCc2occc2C)C2CC2)cc1 ZINC000266195132 1129084961 /nfs/dbraw/zinc/08/49/61/1129084961.db2.gz JNGXHCMWIQASNP-QGZVFWFLSA-N 0 1 271.360 3.838 20 0 CHADMN Clc1n[nH]c(C2CC2)c1CN1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000894735359 1122899522 /nfs/dbraw/zinc/89/95/22/1122899522.db2.gz IARDMGIXXQOWEY-SWLSCSKDSA-N 0 1 291.826 3.561 20 0 CHADMN c1ccc2c(c1)ccnc2CN(Cc1cccnc1)C1CC1 ZINC000894778977 1122904417 /nfs/dbraw/zinc/90/44/17/1122904417.db2.gz AXHHKBJNVSXBSQ-UHFFFAOYSA-N 0 1 289.382 3.794 20 0 CHADMN FC(F)n1ccnc1CN[C@H](CC1CC1)c1ccccc1 ZINC000608064366 1122904432 /nfs/dbraw/zinc/90/44/32/1122904432.db2.gz UFDUDVJZKAOTGT-CQSZACIVSA-N 0 1 291.345 3.909 20 0 CHADMN Cc1nc([C@H](C)NCc2cccc(C3CCCC3)c2)n[nH]1 ZINC000894777355 1122904753 /nfs/dbraw/zinc/90/47/53/1122904753.db2.gz IIDDJZLCXVKBIS-LBPRGKRZSA-N 0 1 284.407 3.622 20 0 CHADMN CC(C)CCCCN(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000894797265 1122906976 /nfs/dbraw/zinc/90/69/76/1122906976.db2.gz KSJJHTKTBIVXRE-MRXNPFEDSA-N 0 1 286.423 3.652 20 0 CHADMN CC(C)(C)OCCNCc1c(Cl)oc2ccccc21 ZINC000308696704 1129085983 /nfs/dbraw/zinc/08/59/83/1129085983.db2.gz RNVBBAJBNUGOJX-UHFFFAOYSA-N 0 1 281.783 3.991 20 0 CHADMN CC[C@@H]1CN(Cc2coc(C)n2)CC[C@H]1c1ccccc1 ZINC000647965932 1122909131 /nfs/dbraw/zinc/90/91/31/1122909131.db2.gz VNMPKRGPVKUXPV-CRAIPNDOSA-N 0 1 284.403 3.999 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2ccc(F)nc2)c1 ZINC000189297562 1129086246 /nfs/dbraw/zinc/08/62/46/1129086246.db2.gz IVFKOXABBXWHLV-MRXNPFEDSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccccc1NC(=O)CN1CCC(C)(C(C)C)CC1 ZINC000426777106 1122914868 /nfs/dbraw/zinc/91/48/68/1122914868.db2.gz KPLKOUYZWAGNOZ-UHFFFAOYSA-N 0 1 288.435 3.692 20 0 CHADMN O=C([O-])[C@H]([NH2+]Cc1ccc2ccccc2c1)c1cccs1 ZINC000426799066 1122917310 /nfs/dbraw/zinc/91/73/10/1122917310.db2.gz HFTIICWUKHEDLC-MRXNPFEDSA-N 0 1 297.379 3.817 20 0 CHADMN CC(C)c1ccc([C@@H](C)N(C)Cc2ccnn2C)cc1 ZINC000507022747 1122920167 /nfs/dbraw/zinc/92/01/67/1122920167.db2.gz TZHWWVXKGFKHLL-CQSZACIVSA-N 0 1 271.408 3.737 20 0 CHADMN COc1ncc(CN[C@@H]2CC(C)(C)c3ccccc32)s1 ZINC000638761640 1122921342 /nfs/dbraw/zinc/92/13/42/1122921342.db2.gz GWGUPFVQYUPQNP-CQSZACIVSA-N 0 1 288.416 3.664 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN(C)C[C@H]1CC1(C)C ZINC001196457544 1122923920 /nfs/dbraw/zinc/92/39/20/1122923920.db2.gz BUKDSJPBGJYBHB-GFCCVEGCSA-N 0 1 294.826 3.565 20 0 CHADMN Cc1ncc(N=C2CCC(C(F)(F)F)CC2)nc1C ZINC001196767430 1122932441 /nfs/dbraw/zinc/93/24/41/1122932441.db2.gz LRFGMYCWCSFREY-JTQLQIEISA-N 0 1 271.286 3.752 20 0 CHADMN CC(C)N(Cc1cccc(O)c1)Cc1ccccc1F ZINC000507157877 1122933971 /nfs/dbraw/zinc/93/39/71/1122933971.db2.gz XXYUYOJIWVAAON-UHFFFAOYSA-N 0 1 273.351 3.942 20 0 CHADMN C[C@@H]1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000507181024 1122934634 /nfs/dbraw/zinc/93/46/34/1122934634.db2.gz MXHWJCLXFRAJII-LLVKDONJSA-N 0 1 276.767 3.837 20 0 CHADMN C[C@@H]1CCN(Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000507180488 1122934961 /nfs/dbraw/zinc/93/49/61/1122934961.db2.gz LNGRJRJKTMOCOF-SECBINFHSA-N 0 1 275.726 3.783 20 0 CHADMN C[C@H]1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000507181025 1122935709 /nfs/dbraw/zinc/93/57/09/1122935709.db2.gz MXHWJCLXFRAJII-NSHDSACASA-N 0 1 276.767 3.837 20 0 CHADMN FC1CC2(C1)CN(Cc1cccc(Oc3ccccn3)c1)C2 ZINC000894830909 1122936701 /nfs/dbraw/zinc/93/67/01/1122936701.db2.gz VUTFGUZNFJEJBD-UHFFFAOYSA-N 0 1 298.361 3.808 20 0 CHADMN FC(F)(F)[C@@H]1CC=C(Nc2cc3ccccn3n2)CC1 ZINC001196888524 1122937388 /nfs/dbraw/zinc/93/73/88/1122937388.db2.gz HLAKJEVIEGNXHQ-SNVBAGLBSA-N 0 1 281.281 3.993 20 0 CHADMN CSc1cc(C)c(-c2nc3ccc(F)cc3[nH]2)cn1 ZINC001251091293 1122941831 /nfs/dbraw/zinc/94/18/31/1122941831.db2.gz CRSAKHWUSMGVHX-UHFFFAOYSA-N 0 1 273.336 3.794 20 0 CHADMN C[C@@H]1CCC[C@H](CN2Cc3cccnc3N3CCC[C@@H]3C2)C1 ZINC001197086037 1122943743 /nfs/dbraw/zinc/94/37/43/1122943743.db2.gz BNJBOMHUWJUFAT-SOLBZPMBSA-N 0 1 299.462 3.692 20 0 CHADMN Cc1noc(CN[C@@H]2CCC(C)(C)C[C@H]2c2ccccc2)n1 ZINC001197204195 1122948573 /nfs/dbraw/zinc/94/85/73/1122948573.db2.gz XLBHYEPQJVLOTP-JKSUJKDBSA-N 0 1 299.418 3.830 20 0 CHADMN CCCCC[C@@H]1CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000427202957 1122950026 /nfs/dbraw/zinc/95/00/26/1122950026.db2.gz FEEJNPXSJPDXFZ-CYBMUJFWSA-N 0 1 285.391 3.748 20 0 CHADMN CCC[C@H](C)N1CCc2c3cc(OC)ccc3[nH]c2C1 ZINC001197340718 1122954806 /nfs/dbraw/zinc/95/48/06/1122954806.db2.gz CKSKDQOIAUWPTC-LBPRGKRZSA-N 0 1 272.392 3.723 20 0 CHADMN CC1(C)[C@H](c2cccc(Cl)c2)CCN1Cc1cc[nH]n1 ZINC001197480939 1122956856 /nfs/dbraw/zinc/95/68/56/1122956856.db2.gz GQNVQZIQJOPXLY-HNNXBMFYSA-N 0 1 289.810 3.831 20 0 CHADMN CC(C)(C)OCCCCN1CCCC[C@@H]1c1ncccn1 ZINC001197451781 1122957604 /nfs/dbraw/zinc/95/76/04/1122957604.db2.gz YOONZRUSPNZXSO-OAHLLOKOSA-N 0 1 291.439 3.599 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccc(OC)cc1 ZINC000507482898 1122959270 /nfs/dbraw/zinc/95/92/70/1122959270.db2.gz GBRDRCXRYCOSFS-CYBMUJFWSA-N 0 1 270.376 3.503 20 0 CHADMN COc1ccc(CN(C)Cc2ccsc2C)c(OC)c1 ZINC000350243499 1122961136 /nfs/dbraw/zinc/96/11/36/1122961136.db2.gz WSPSZIHDTDIEID-UHFFFAOYSA-N 0 1 291.416 3.706 20 0 CHADMN CC(C)C(=O)Nc1ccc(Nc2ccc3nccn3c2)cc1 ZINC001197665474 1122963556 /nfs/dbraw/zinc/96/35/56/1122963556.db2.gz DYRIAVUOGRXHTQ-UHFFFAOYSA-N 0 1 294.358 3.672 20 0 CHADMN Cc1ccc(CSc2nc(C(C)(C)C)n[nH]2)cc1F ZINC000629113794 1122966011 /nfs/dbraw/zinc/96/60/11/1122966011.db2.gz YKWCJQOWTJSLEM-UHFFFAOYSA-N 0 1 279.384 3.842 20 0 CHADMN Cc1ccc(CSc2n[nH]c(C(C)(C)C)n2)cc1F ZINC000629113794 1122966014 /nfs/dbraw/zinc/96/60/14/1122966014.db2.gz YKWCJQOWTJSLEM-UHFFFAOYSA-N 0 1 279.384 3.842 20 0 CHADMN COc1ccc(CNCc2cscc2Cl)cc1 ZINC000775783282 1122968065 /nfs/dbraw/zinc/96/80/65/1122968065.db2.gz UXCBKLDFKXOACM-UHFFFAOYSA-N 0 1 267.781 3.700 20 0 CHADMN C[C@]1(C(=O)Nc2cc(Cl)c(O)cc2F)C[C@H]2C[C@H]2C1 ZINC000334228849 1122973270 /nfs/dbraw/zinc/97/32/70/1122973270.db2.gz PANKFGJDRVBIGJ-ATTMTXSRSA-N 0 1 283.730 3.559 20 0 CHADMN CCCOc1ncccc1CN[C@@H]1c2ccccc2C[C@@H]1C ZINC000154700474 1129090543 /nfs/dbraw/zinc/09/05/43/1129090543.db2.gz BQWBLLCBMZRRCY-KSSFIOAISA-N 0 1 296.414 3.894 20 0 CHADMN Cc1noc(C)c1CN[C@@]1(C)CCCc2ccccc21 ZINC000334260205 1122978303 /nfs/dbraw/zinc/97/83/03/1122978303.db2.gz VXSIPKMMBPEDLY-KRWDZBQOSA-N 0 1 270.376 3.633 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C(C)(C)C1 ZINC000334277811 1122980114 /nfs/dbraw/zinc/98/01/14/1122980114.db2.gz DPBDJAJAOPLDCD-WCQYABFASA-N 0 1 280.437 3.615 20 0 CHADMN Cc1ccc(F)cc1CN[C@@]1(C)CCOc2ccccc21 ZINC001198070291 1122980775 /nfs/dbraw/zinc/98/07/75/1122980775.db2.gz BWIJCOISCVBHGI-SFHVURJKSA-N 0 1 285.362 3.922 20 0 CHADMN Cc1ccnc(N)c1CN1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000894854919 1122982761 /nfs/dbraw/zinc/98/27/61/1122982761.db2.gz KIXSARNVOLCDQD-KRWDZBQOSA-N 0 1 293.414 3.699 20 0 CHADMN Cc1ccnc(N)c1CN1CC2(CCC2)[C@H]1c1ccccc1 ZINC000894854920 1122983356 /nfs/dbraw/zinc/98/33/56/1122983356.db2.gz KIXSARNVOLCDQD-QGZVFWFLSA-N 0 1 293.414 3.699 20 0 CHADMN Cc1[nH]nc(CN2CC3(CCC3)[C@H]2c2ccccc2)c1C ZINC000894855816 1122984307 /nfs/dbraw/zinc/98/43/07/1122984307.db2.gz SAFDBWVJWINOHF-QGZVFWFLSA-N 0 1 281.403 3.754 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2c(Cl)cccc21)c1cn[nH]c1 ZINC000334326334 1122987792 /nfs/dbraw/zinc/98/77/92/1122987792.db2.gz LEWNQTKBZBJNBG-QMTHXVAHSA-N 0 1 291.782 3.628 20 0 CHADMN Cc1coc(CN[C@@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000894857816 1122992083 /nfs/dbraw/zinc/99/20/83/1122992083.db2.gz QGHJDWDFLQCDJN-KRWDZBQOSA-N 0 1 285.387 3.582 20 0 CHADMN CCCCCCN(C/C=C(\C)C(=O)OC)Cc1ccco1 ZINC001198507143 1122996109 /nfs/dbraw/zinc/99/61/09/1122996109.db2.gz GHHJXCXQPZURSV-XNTDXEJSSA-N 0 1 293.407 3.781 20 0 CHADMN CN(CCOc1ccccc1)Cc1cnc(C2CC2)s1 ZINC000154741554 1129092161 /nfs/dbraw/zinc/09/21/61/1129092161.db2.gz KUNVCVHQFZMYCE-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2ccc(C)s2)on1 ZINC000334373683 1123000774 /nfs/dbraw/zinc/00/07/74/1123000774.db2.gz CKIUFTQNOJOOLA-ZDUSSCGKSA-N 0 1 262.378 3.690 20 0 CHADMN C[C@H]1CCC(F)(F)CN1C[C@@H]1CC2CCC1CC2 ZINC001198640635 1123003197 /nfs/dbraw/zinc/00/31/97/1123003197.db2.gz FLSFBXHZYHOBOS-ABXWRUBCSA-N 0 1 257.368 3.932 20 0 CHADMN Cc1ccc(C)c(CN[C@H](C)c2ncccc2C)c1 ZINC001198640882 1123003208 /nfs/dbraw/zinc/00/32/08/1123003208.db2.gz JLDYEBSQPOBRLT-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN Cc1nn(C)c(C)c1CN(C)Cc1csc2ccccc12 ZINC000154884978 1129093116 /nfs/dbraw/zinc/09/31/16/1129093116.db2.gz ZRJCOIFLIGYXRP-UHFFFAOYSA-N 0 1 299.443 3.884 20 0 CHADMN CC[C@@H](F)CN[C@@H](C)c1cc2cccc(F)c2o1 ZINC000440530552 1123012443 /nfs/dbraw/zinc/01/24/43/1123012443.db2.gz HUINBLFSDMBUMT-GXSJLCMTSA-N 0 1 253.292 3.971 20 0 CHADMN Clc1ccc(CN2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC001203921614 1123015954 /nfs/dbraw/zinc/01/59/54/1123015954.db2.gz WAKJTXSSWLXGEK-QGZVFWFLSA-N 0 1 287.790 3.993 20 0 CHADMN C[C@@H](NCc1cc2ccncc2s1)c1ccccn1 ZINC001198935543 1123016758 /nfs/dbraw/zinc/01/67/58/1123016758.db2.gz ZYWIQUGUGFXJJO-LLVKDONJSA-N 0 1 269.373 3.542 20 0 CHADMN COc1ccc(-c2nc3ccc(SC)cc3[nH]2)nc1C ZINC001251854090 1123018351 /nfs/dbraw/zinc/01/83/51/1123018351.db2.gz PATQRJHIRINCFX-UHFFFAOYSA-N 0 1 285.372 3.664 20 0 CHADMN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NCc1ccc(F)cc1 ZINC000519790630 1123025419 /nfs/dbraw/zinc/02/54/19/1123025419.db2.gz VVXCBOYDRNUKEK-MGPLVRAMSA-N 0 1 275.298 3.577 20 0 CHADMN CCCN1CCC[C@@H]1C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000440643459 1123026469 /nfs/dbraw/zinc/02/64/69/1123026469.db2.gz SIDSJOSSVGJHMO-CQSZACIVSA-N 0 1 296.361 3.611 20 0 CHADMN Cc1ccc(CNCc2nccc3c2CCCC3)c(C)c1 ZINC001199391727 1123027587 /nfs/dbraw/zinc/02/75/87/1123027587.db2.gz KGBBPCJTHYDBPW-UHFFFAOYSA-N 0 1 280.415 3.867 20 0 CHADMN CC[C@H](F)CN1CCSC[C@@H]1c1ccccc1 ZINC000440699374 1123029971 /nfs/dbraw/zinc/02/99/71/1123029971.db2.gz SNFDHPLEFWOQEE-UONOGXRCSA-N 0 1 253.386 3.525 20 0 CHADMN CCc1ncc(CN[C@@H]2CCc3cc(F)ccc32)s1 ZINC000084018419 1123030511 /nfs/dbraw/zinc/03/05/11/1123030511.db2.gz MAANMWWJGRMZTI-CQSZACIVSA-N 0 1 276.380 3.622 20 0 CHADMN CC[C@@H](F)CN1CCC[C@@H]1c1ccccc1OC ZINC000440708940 1123032688 /nfs/dbraw/zinc/03/26/88/1123032688.db2.gz BAKWRVATACLJQR-TZMCWYRMSA-N 0 1 251.345 3.580 20 0 CHADMN C[C@H]1C[C@H](C)N1Cc1cnc(CCc2ccccc2)s1 ZINC000519863958 1123034313 /nfs/dbraw/zinc/03/43/13/1123034313.db2.gz AOGUIEDKUFQJIV-KBPBESRZSA-N 0 1 286.444 3.911 20 0 CHADMN CCOc1ccc(C2=CCN(C[C@@H](F)CC)CC2)cc1 ZINC000440783495 1123035751 /nfs/dbraw/zinc/03/57/51/1123035751.db2.gz MGOMDBAZTOKCFZ-INIZCTEOSA-N 0 1 277.383 3.923 20 0 CHADMN CC[C@H](F)CN1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000440775933 1123037161 /nfs/dbraw/zinc/03/71/61/1123037161.db2.gz BRBOSNSCTPCACL-JSGCOSHPSA-N 0 1 271.763 3.541 20 0 CHADMN C[C@H](O)c1ccc(CNCc2cc3ccccc3o2)cc1 ZINC001199732818 1123037162 /nfs/dbraw/zinc/03/71/62/1123037162.db2.gz RNVMWPLIGTUZPO-ZDUSSCGKSA-N 0 1 281.355 3.776 20 0 CHADMN CC(C)(C)c1ccccc1NC(=O)c1cnc2nc[nH]c2c1 ZINC000082323984 1123040218 /nfs/dbraw/zinc/04/02/18/1123040218.db2.gz RHYDADVKKMYNPA-UHFFFAOYSA-N 0 1 294.358 3.508 20 0 CHADMN CCOc1ccc(C[N@H+]2CCSC3(CCC3)CC2)o1 ZINC000894889725 1123042383 /nfs/dbraw/zinc/04/23/83/1123042383.db2.gz NEGVFSMXRVPBHO-UHFFFAOYSA-N 0 1 281.421 3.540 20 0 CHADMN Cc1ccc(F)cc1CN1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440957293 1123049382 /nfs/dbraw/zinc/04/93/82/1123049382.db2.gz IQWLIGVPIOAAIS-HZPDHXFCSA-N 0 1 277.383 3.666 20 0 CHADMN O=C(Nc1ccc2nc[nH]c2c1)C1C2CC3CC(C2)CC1C3 ZINC000520108117 1123053164 /nfs/dbraw/zinc/05/31/64/1123053164.db2.gz WQVYQZVVZRQODY-UHFFFAOYSA-N 0 1 295.386 3.574 20 0 CHADMN COc1cccc(CNCc2cc(Cl)ccc2F)c1 ZINC000125120494 1123053696 /nfs/dbraw/zinc/05/36/96/1123053696.db2.gz GSPONNACRGSJEB-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN CCCOc1ccc2c(c1)CCN([C@@H](C)c1cccnc1)C2 ZINC000441072693 1123056594 /nfs/dbraw/zinc/05/65/94/1123056594.db2.gz RMICVBGJUFAXDS-HNNXBMFYSA-N 0 1 296.414 3.990 20 0 CHADMN CCC[C@@H](C)N(C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000441180552 1123064704 /nfs/dbraw/zinc/06/47/04/1123064704.db2.gz RKCAGCKAZLCUNL-CYBMUJFWSA-N 0 1 275.371 3.632 20 0 CHADMN CCCCCCNC(=S)Nc1c(O)cc(F)cc1F ZINC001200952113 1123068739 /nfs/dbraw/zinc/06/87/39/1123068739.db2.gz ADQAQICSVYDANM-UHFFFAOYSA-N 0 1 288.363 3.537 20 0 CHADMN CCC[C@H](C(=O)NCc1nc2cccc(C)c2[nH]1)C(C)C ZINC000155085118 1129096921 /nfs/dbraw/zinc/09/69/21/1129096921.db2.gz GDQMBCGZGBUCGZ-ZDUSSCGKSA-N 0 1 287.407 3.560 20 0 CHADMN Fc1ccc(/C=C\CNCc2ccn(C3CCCC3)n2)cc1 ZINC001201132977 1123074330 /nfs/dbraw/zinc/07/43/30/1123074330.db2.gz FMTSKPYRQKAQGP-ARJAWSKDSA-N 0 1 299.393 3.940 20 0 CHADMN Cc1ccc2cc(CN(C)Cc3ccncc3)ccc2n1 ZINC000188384473 1123079628 /nfs/dbraw/zinc/07/96/28/1123079628.db2.gz YMOVHLNYCNAHCT-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN CO[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000441352120 1123079893 /nfs/dbraw/zinc/07/98/93/1123079893.db2.gz JWDVHWACCQKJSI-SMDDNHRTSA-N 0 1 287.325 3.705 20 0 CHADMN C[C@H](NC(=O)CN(C)C1CCC1)c1ccc2ccccc2c1 ZINC000441343708 1123079990 /nfs/dbraw/zinc/07/99/90/1123079990.db2.gz WVCWPGSNYBVTEU-AWEZNQCLSA-N 0 1 296.414 3.501 20 0 CHADMN CC[C@H](C)CN(C)C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000520368639 1123080710 /nfs/dbraw/zinc/08/07/10/1123080710.db2.gz DJTBNYLYERSMOF-DOTOQJQBSA-N 0 1 290.451 3.574 20 0 CHADMN COC(=O)c1cc(N=C2CCSCC2)c(Cl)s1 ZINC001201332235 1123085630 /nfs/dbraw/zinc/08/56/30/1123085630.db2.gz MSZRHXPVZDEPEX-UHFFFAOYSA-N 0 1 289.809 3.621 20 0 CHADMN FC(F)(F)c1ccc(N=C2CCSCC2)nc1 ZINC001201326051 1123087423 /nfs/dbraw/zinc/08/74/23/1123087423.db2.gz CCYRWFPFLPKBQV-UHFFFAOYSA-N 0 1 260.284 3.533 20 0 CHADMN COc1ccc([C@@H](C)NCc2c(C)noc2C)cc1Cl ZINC000112535979 1123089002 /nfs/dbraw/zinc/08/90/02/1123089002.db2.gz WQJOUKBBMLYRED-SECBINFHSA-N 0 1 294.782 3.804 20 0 CHADMN CCOc1cccc(F)c1N=C1CCSCC1 ZINC001201346277 1123090495 /nfs/dbraw/zinc/09/04/95/1123090495.db2.gz XTMPYPMVLDBHPY-UHFFFAOYSA-N 0 1 253.342 3.657 20 0 CHADMN c1cc2cccc(CNc3ccc4c[nH]nc4c3)c2[nH]1 ZINC000083456155 1123092192 /nfs/dbraw/zinc/09/21/92/1123092192.db2.gz KCEMQHKYCLKPEI-UHFFFAOYSA-N 0 1 262.316 3.656 20 0 CHADMN FC1(CN[C@@H]2CCCc3sc(Cl)cc32)CC1 ZINC000309507229 1123095721 /nfs/dbraw/zinc/09/57/21/1123095721.db2.gz NRIYOJYIZHVQSX-SECBINFHSA-N 0 1 259.777 3.871 20 0 CHADMN CCCC(=CC(=O)Nc1nc(C2CCC2)n[nH]1)CCC ZINC000760032691 1123098627 /nfs/dbraw/zinc/09/86/27/1123098627.db2.gz WIMQTJZMPILNOW-UHFFFAOYSA-N 0 1 276.384 3.537 20 0 CHADMN CCCC(=CC(=O)Nc1n[nH]c(C2CCC2)n1)CCC ZINC000760032691 1123098633 /nfs/dbraw/zinc/09/86/33/1123098633.db2.gz WIMQTJZMPILNOW-UHFFFAOYSA-N 0 1 276.384 3.537 20 0 CHADMN CC(C)(C)CN(Cc1cccnc1)Cc1cccnc1 ZINC001201440635 1123104798 /nfs/dbraw/zinc/10/47/98/1123104798.db2.gz YMKTXOAGWILVPW-UHFFFAOYSA-N 0 1 269.392 3.525 20 0 CHADMN CC(C)=CCC[C@@H](C)CN(C)Cc1nnc2ccccn21 ZINC001201488339 1123107875 /nfs/dbraw/zinc/10/78/75/1123107875.db2.gz XGXXGNGCOBXORQ-OAHLLOKOSA-N 0 1 286.423 3.544 20 0 CHADMN CC(C)CN1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001201478402 1123114763 /nfs/dbraw/zinc/11/47/63/1123114763.db2.gz HGBDEDKVOCFLLD-UHFFFAOYSA-N 0 1 289.810 3.675 20 0 CHADMN CCC(C)(C)C1CCC(CC(=O)NCc2cnc[nH]2)CC1 ZINC000330397438 1123116883 /nfs/dbraw/zinc/11/68/83/1123116883.db2.gz OXQQHZMGRICGRQ-UHFFFAOYSA-N 0 1 291.439 3.659 20 0 CHADMN CC[C@@H]1CCN(Cc2cccc(F)c2Br)C1 ZINC000161649503 1123122552 /nfs/dbraw/zinc/12/25/52/1123122552.db2.gz XCTKQYXMVOGKMG-SNVBAGLBSA-N 0 1 286.188 3.820 20 0 CHADMN Fc1ccc(-n2ccc(C[N@H+]3CCC[C@H]4CCC[C@H]43)n2)cc1 ZINC000441435153 1123123385 /nfs/dbraw/zinc/12/33/85/1123123385.db2.gz LKXHJPUHQHFQPX-RDTXWAMCSA-N 0 1 299.393 3.776 20 0 CHADMN Fc1ccc(-n2ccc(CN3CCC[C@H]4CCC[C@H]43)n2)cc1 ZINC000441435153 1123123388 /nfs/dbraw/zinc/12/33/88/1123123388.db2.gz LKXHJPUHQHFQPX-RDTXWAMCSA-N 0 1 299.393 3.776 20 0 CHADMN CCOC(=O)CN([C@@H](C)c1ccccc1)C1CCCC1 ZINC000261118021 1123125661 /nfs/dbraw/zinc/12/56/61/1123125661.db2.gz GCKKDWLJCFLBME-AWEZNQCLSA-N 0 1 275.392 3.555 20 0 CHADMN CCCC[C@H](CC)CN1CCO[C@H](c2ccccn2)C1 ZINC001201568141 1123125680 /nfs/dbraw/zinc/12/56/80/1123125680.db2.gz OEHBLEKBBXDRTC-RDJZCZTQSA-N 0 1 276.424 3.671 20 0 CHADMN CCCC[C@H](CC)CN1CCO[C@H](c2ccncc2)C1 ZINC001201568655 1123125753 /nfs/dbraw/zinc/12/57/53/1123125753.db2.gz VPVYCBYEOQWQNT-RDJZCZTQSA-N 0 1 276.424 3.671 20 0 CHADMN CC[C@H](NCc1ccc(COC)o1)c1ccccc1 ZINC000268789059 1129100471 /nfs/dbraw/zinc/10/04/71/1129100471.db2.gz LGJGIBPPDOLAOA-INIZCTEOSA-N 0 1 259.349 3.667 20 0 CHADMN C[C@]1(c2ccc(F)cc2)CN(CCc2ccccc2)CCO1 ZINC001201604281 1123130757 /nfs/dbraw/zinc/13/07/57/1123130757.db2.gz RYVHITDQUPVHRB-LJQANCHMSA-N 0 1 299.389 3.616 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CCOC2(CCCCC2)C1 ZINC000441459007 1123132090 /nfs/dbraw/zinc/13/20/90/1123132090.db2.gz QPSYYDVFMWZFHC-CQSZACIVSA-N 0 1 277.383 3.922 20 0 CHADMN Cc1cc(Nc2ccc(C3CC3)nc2)c2ccccc2n1 ZINC001201699491 1123137761 /nfs/dbraw/zinc/13/77/61/1123137761.db2.gz RGHXCIJFBHMQMM-UHFFFAOYSA-N 0 1 275.355 3.981 20 0 CHADMN Cc1cc(F)cc(CN2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c1 ZINC001143584915 1123138940 /nfs/dbraw/zinc/13/89/40/1123138940.db2.gz BPUSUOUKADNWAH-ROUUACIJSA-N 0 1 295.357 3.546 20 0 CHADMN CCCCCN1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001201737326 1123143321 /nfs/dbraw/zinc/14/33/21/1123143321.db2.gz IKBQYPWZIPVVHF-MRXNPFEDSA-N 0 1 265.372 3.563 20 0 CHADMN CC(=O)c1ccc2c(c1)CN([C@H]1CCc3ccccc31)C2 ZINC000665061587 1123143947 /nfs/dbraw/zinc/14/39/47/1123143947.db2.gz TYLKEKZWIHTBAY-IBGZPJMESA-N 0 1 277.367 3.892 20 0 CHADMN CC(C)CCc1noc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)n1 ZINC000441482394 1123146922 /nfs/dbraw/zinc/14/69/22/1123146922.db2.gz CSPUTMYXMLJYEC-KFWWJZLASA-N 0 1 291.439 3.811 20 0 CHADMN C[C@@H](NCc1cn2ccnc2s1)c1cc2ccccc2o1 ZINC001202010458 1123165782 /nfs/dbraw/zinc/16/57/82/1123165782.db2.gz MVUXMBPEJAFZQC-LLVKDONJSA-N 0 1 297.383 3.993 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)CCC3)CCO2 ZINC001202009165 1123165801 /nfs/dbraw/zinc/16/58/01/1123165801.db2.gz FXNJSSVXPKBLBZ-SFHVURJKSA-N 0 1 297.373 3.928 20 0 CHADMN CC(C)CCN(CC(=O)Nc1ccccc1Cl)C1CC1 ZINC000532922375 1129103716 /nfs/dbraw/zinc/10/37/16/1129103716.db2.gz VDEXTDASBXOCCZ-UHFFFAOYSA-N 0 1 294.826 3.789 20 0 CHADMN C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cnc(N)s1 ZINC000094193125 1123181094 /nfs/dbraw/zinc/18/10/94/1123181094.db2.gz JJRJXIYGXRGBDV-SECBINFHSA-N 0 1 281.812 3.572 20 0 CHADMN C[C@H](c1cccc(Cl)c1)N(C)Cc1cnc(N)s1 ZINC000094193125 1123181096 /nfs/dbraw/zinc/18/10/96/1123181096.db2.gz JJRJXIYGXRGBDV-SECBINFHSA-N 0 1 281.812 3.572 20 0 CHADMN C[C@H]1COCCN(Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000507784196 1123186100 /nfs/dbraw/zinc/18/61/00/1123186100.db2.gz QGRPTGHLXCLYNR-OAHLLOKOSA-N 0 1 299.389 3.961 20 0 CHADMN Cc1cccc(C)c1NC(=O)Nc1cc(O)c(F)c(F)c1 ZINC001202209802 1123187963 /nfs/dbraw/zinc/18/79/63/1123187963.db2.gz ZAJUZLMYUBNZOW-UHFFFAOYSA-N 0 1 292.285 3.931 20 0 CHADMN Cc1cc(F)c(CNc2ccc3nc[nH]c3c2)c(F)c1 ZINC001202350084 1123197764 /nfs/dbraw/zinc/19/77/64/1123197764.db2.gz PRUCWSXUCCAYDY-UHFFFAOYSA-N 0 1 273.286 3.762 20 0 CHADMN Cc1cc2oc(=O)cc(C[N@H+]3CC(C)=C[C@@H](C)C3)c2cc1C ZINC000797526466 1123199553 /nfs/dbraw/zinc/19/95/53/1123199553.db2.gz QUCVXUJAGXXZAJ-GFCCVEGCSA-N 0 1 297.398 3.808 20 0 CHADMN CCc1cc(NCc2ccnn2-c2ccncc2)ccc1F ZINC001202357428 1123202015 /nfs/dbraw/zinc/20/20/15/1123202015.db2.gz UWLQMDJBLOEEML-UHFFFAOYSA-N 0 1 296.349 3.581 20 0 CHADMN CCCC1CCC(CNc2cccc3[nH]nnc32)CC1 ZINC001202466828 1123209358 /nfs/dbraw/zinc/20/93/58/1123209358.db2.gz RAVATFVBMQNGTQ-UHFFFAOYSA-N 0 1 272.396 3.976 20 0 CHADMN CCCC[C@@H](O)CN[C@@H](C)c1c(F)cccc1Cl ZINC001252111750 1123214745 /nfs/dbraw/zinc/21/47/45/1123214745.db2.gz ASKKVHHFUUPMJY-WDEREUQCSA-N 0 1 273.779 3.681 20 0 CHADMN CC[C@@H]1C[C@@H](CN2CCc3ccc(F)c(F)c3C2)CCO1 ZINC000507815251 1123224214 /nfs/dbraw/zinc/22/42/14/1123224214.db2.gz WCXFMTSAEDCNGI-GXTWGEPZSA-N 0 1 295.373 3.528 20 0 CHADMN Cc1cccc2ccnc(N[C@H]3CCO[C@H](C)C3)c12 ZINC001161694889 1123228413 /nfs/dbraw/zinc/22/84/13/1123228413.db2.gz ATXJIIBBBPIKSK-OCCSQVGLSA-N 0 1 256.349 3.523 20 0 CHADMN CCN(c1ccc(NCc2cnc3n2CCC3)cc1)C(C)C ZINC000850044107 1123238420 /nfs/dbraw/zinc/23/84/20/1123238420.db2.gz DTSYLQFIGSLQBT-UHFFFAOYSA-N 0 1 298.434 3.676 20 0 CHADMN CC(C)CN(C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000620937711 1129108285 /nfs/dbraw/zinc/10/82/85/1129108285.db2.gz HAZBOBJEBQFHIR-UHFFFAOYSA-N 0 1 289.206 3.520 20 0 CHADMN C[C@@H](N[C@H]1CC(C)(C)c2ccccc21)c1ccncn1 ZINC000334525168 1123243227 /nfs/dbraw/zinc/24/32/27/1123243227.db2.gz FZRXPVLCYKNQIT-WBMJQRKESA-N 0 1 267.376 3.550 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])sc2C)CC1 ZINC000155986953 1129108372 /nfs/dbraw/zinc/10/83/72/1129108372.db2.gz NIKWQEIDBYBBJB-LBPRGKRZSA-N 0 1 281.421 3.767 20 0 CHADMN CCCn1cc(CN2CCC[C@H]2/C=C\c2ccccc2)cn1 ZINC000507880007 1123244523 /nfs/dbraw/zinc/24/45/23/1123244523.db2.gz AUHRUQDMNZBTBT-GDWUOILNSA-N 0 1 295.430 3.971 20 0 CHADMN COc1ccc2c(c1)CN([C@H](C)c1cccc(F)c1)CC2 ZINC000520783157 1123244563 /nfs/dbraw/zinc/24/45/63/1123244563.db2.gz NCFWNIGKHLNBEM-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN CCn1nccc1CN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000507881709 1123245046 /nfs/dbraw/zinc/24/50/46/1123245046.db2.gz HSGSBQIUGWEQAA-SXSDINLZSA-N 0 1 281.403 3.581 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2CCC1(C)C)c1ccncn1 ZINC000334545733 1123250360 /nfs/dbraw/zinc/25/03/60/1123250360.db2.gz MMSWPLJYACPKKV-GUYCJALGSA-N 0 1 281.403 3.841 20 0 CHADMN C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccc3c(n2)CCC3)C1 ZINC000334548129 1123251328 /nfs/dbraw/zinc/25/13/28/1123251328.db2.gz ODGOFBXTDGWLJN-AUUYWEPGSA-N 0 1 293.414 3.548 20 0 CHADMN CC[C@H]1C[C@@H](CNc2nccc(C)c2C2CC2)CCO1 ZINC000850362354 1123256660 /nfs/dbraw/zinc/25/66/60/1123256660.db2.gz LHXWSRSLXIVBHG-ZFWWWQNUSA-N 0 1 274.408 3.885 20 0 CHADMN Cc1ccnc(NCc2cc(C(F)(F)F)n[nH]2)c1C1CC1 ZINC000850362913 1123257414 /nfs/dbraw/zinc/25/74/14/1123257414.db2.gz VADPQDKIEMLDEH-UHFFFAOYSA-N 0 1 296.296 3.621 20 0 CHADMN CC(C)[C@H](NCc1cnn2ccccc12)c1ccccc1F ZINC000850362407 1123257483 /nfs/dbraw/zinc/25/74/83/1123257483.db2.gz NGZXWQIRCLZXGU-SFHVURJKSA-N 0 1 297.377 3.960 20 0 CHADMN O[C@@H]1C[C@H](NCc2ccc(Cl)c(F)c2)c2ccccc21 ZINC000850371385 1123258099 /nfs/dbraw/zinc/25/80/99/1123258099.db2.gz IUYCDAHNSAQAND-JKSUJKDBSA-N 0 1 291.753 3.747 20 0 CHADMN Cc1cc(CN[C@@H]2C[C@@H](O)c3ccccc32)ccc1Cl ZINC000850371811 1123259174 /nfs/dbraw/zinc/25/91/74/1123259174.db2.gz MEIOBRANEZIFHA-IAGOWNOFSA-N 0 1 287.790 3.916 20 0 CHADMN CCc1cccc(F)c1CN[C@H]1C[C@@H](O)c2ccccc21 ZINC000850374591 1123260164 /nfs/dbraw/zinc/26/01/64/1123260164.db2.gz MWMANLUSPIMXMK-ZWKOTPCHSA-N 0 1 285.362 3.656 20 0 CHADMN Cc1cc(CN(C)[C@@H](c2ccccc2C)C(C)C)nn1C ZINC000487407796 1123261647 /nfs/dbraw/zinc/26/16/47/1123261647.db2.gz BPRIHVWPVHVHEN-GOSISDBHSA-N 0 1 285.435 3.866 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1C(=O)c1[nH]nc2ccccc21 ZINC000156048133 1129109648 /nfs/dbraw/zinc/10/96/48/1129109648.db2.gz CHFPIZJVFAHAJI-WFASDCNBSA-N 0 1 285.391 3.604 20 0 CHADMN C[C@@H](NC1(C(=O)Nc2ccccc2)CC1)c1ccc(F)cc1 ZINC000427976753 1123266122 /nfs/dbraw/zinc/26/61/22/1123266122.db2.gz XNJYRUGMXQWSMN-CYBMUJFWSA-N 0 1 298.361 3.648 20 0 CHADMN CCCN(Cc1cccc(O)c1Cl)C[C@H]1CCCCO1 ZINC000508245765 1123272488 /nfs/dbraw/zinc/27/24/88/1123272488.db2.gz HJPOVQZHIRYZLR-CQSZACIVSA-N 0 1 297.826 3.827 20 0 CHADMN Cc1[nH]c(SCc2cccnc2)nc1Cc1ccccc1 ZINC000027773020 1123276205 /nfs/dbraw/zinc/27/62/05/1123276205.db2.gz XMFMLXFQHRGHDZ-UHFFFAOYSA-N 0 1 295.411 3.996 20 0 CHADMN C[C@@H](N[C@H]1C=CCC1)c1nc2ccc(Cl)cc2n1C ZINC000850508054 1123277167 /nfs/dbraw/zinc/27/71/67/1123277167.db2.gz HTQXMMABDZFZQD-PWSUYJOCSA-N 0 1 275.783 3.596 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1cc2cnccc2o1 ZINC000850525572 1123280822 /nfs/dbraw/zinc/28/08/22/1123280822.db2.gz KLVQGAIJMHKJJX-XZJROXQQSA-N 0 1 294.354 3.657 20 0 CHADMN Oc1cccc2c1CCC[C@@H]2N[C@@H]1C[C@H](O)c2ccccc21 ZINC000850525338 1123280834 /nfs/dbraw/zinc/28/08/34/1123280834.db2.gz IMLWOUDSNOCIBE-SCTDSRPQSA-N 0 1 295.382 3.538 20 0 CHADMN CC(C)c1nc(CN2CC[C@H](c3ccccc3)[C@H](C)C2)n[nH]1 ZINC000428222866 1123283530 /nfs/dbraw/zinc/28/35/30/1123283530.db2.gz ABCMAOCPTJQTPC-ZBFHGGJFSA-N 0 1 298.434 3.554 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1cc(COC)cs1 ZINC000850531444 1123285054 /nfs/dbraw/zinc/28/50/54/1123285054.db2.gz DYGWYXZQQSHCEO-SNVBAGLBSA-N 0 1 294.420 3.604 20 0 CHADMN Cc1nc([C@H](C)N[C@@H]2CCc3cc(N)ccc32)c(C)s1 ZINC000665270251 1123294834 /nfs/dbraw/zinc/29/48/34/1123294834.db2.gz UVWRZZAZJZWMGN-BJOHPYRUSA-N 0 1 287.432 3.680 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H]2CCc3cc(N)ccc32)c(C)s1 ZINC000665270253 1123294924 /nfs/dbraw/zinc/29/49/24/1123294924.db2.gz UVWRZZAZJZWMGN-RFAUZJTJSA-N 0 1 287.432 3.680 20 0 CHADMN CC[C@@H](N[C@H](C)c1nccn1C)c1ccc2c(c1)CCCO2 ZINC000850573205 1123295454 /nfs/dbraw/zinc/29/54/54/1123295454.db2.gz WOLCUZAIAVMLBX-CZUORRHYSA-N 0 1 299.418 3.547 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1cccc(F)c1F ZINC000107712251 1123300077 /nfs/dbraw/zinc/30/00/77/1123300077.db2.gz BMHLRTQXOWQJJJ-HNNXBMFYSA-N 0 1 277.289 3.881 20 0 CHADMN FC(F)(F)c1nc(CNC2(C3CCC3)CC2)cs1 ZINC000895161000 1123318697 /nfs/dbraw/zinc/31/86/97/1123318697.db2.gz POGVREKKLOHLHU-UHFFFAOYSA-N 0 1 276.327 3.584 20 0 CHADMN COC[C@@H](CC(C)C)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000467445721 1123332025 /nfs/dbraw/zinc/33/20/25/1123332025.db2.gz BJUQNLRXJYLMBI-OAHLLOKOSA-N 0 1 298.858 3.875 20 0 CHADMN FC(F)(F)c1cc(CN2CCC[C@H]2C2CCCC2)[nH]n1 ZINC000442799373 1123340335 /nfs/dbraw/zinc/34/03/35/1123340335.db2.gz HXSAURHYJFJQMC-LBPRGKRZSA-N 0 1 287.329 3.583 20 0 CHADMN CC(C)N(Cc1cc(C(F)(F)F)n[nH]1)Cc1ccccc1 ZINC000442798553 1123340351 /nfs/dbraw/zinc/34/03/51/1123340351.db2.gz JBYKWMOKGCSIPZ-UHFFFAOYSA-N 0 1 297.324 3.839 20 0 CHADMN CCCN(Cc1cc(C(F)(F)F)n[nH]1)Cc1ccccc1 ZINC000442808902 1123341433 /nfs/dbraw/zinc/34/14/33/1123341433.db2.gz IPPLRTLTFUBKCM-UHFFFAOYSA-N 0 1 297.324 3.841 20 0 CHADMN C[C@H](c1ccccc1F)N1CC(C)(C)OC(C)(C)C1 ZINC000442873251 1123344508 /nfs/dbraw/zinc/34/45/08/1123344508.db2.gz JXPSHOMFHAXQOL-GFCCVEGCSA-N 0 1 265.372 3.776 20 0 CHADMN CC[C@]1(C)CN([C@@H]2CCCc3ccc(F)cc32)CCO1 ZINC000442878567 1123346727 /nfs/dbraw/zinc/34/67/27/1123346727.db2.gz GLCDVHVXIUNKHG-IAGOWNOFSA-N 0 1 277.383 3.704 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccccc21)c1nc2ccccc2n1C ZINC000271847614 1129115525 /nfs/dbraw/zinc/11/55/25/1129115525.db2.gz LRHVQAGCYSXUHE-CZUORRHYSA-N 0 1 291.398 3.911 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)N1CCO[C@@](C)(CC)C1 ZINC000442888623 1123347839 /nfs/dbraw/zinc/34/78/39/1123347839.db2.gz GTKBBRBKPUBUJN-HOTGVXAUSA-N 0 1 265.372 3.778 20 0 CHADMN CC1(C)C[N@@H+](Cc2coc3ccccc23)[C@@H]2CCC[C@H]2O1 ZINC000442961160 1123349718 /nfs/dbraw/zinc/34/97/18/1123349718.db2.gz IFMDYBSXXOIDPR-NVXWUHKLSA-N 0 1 285.387 3.965 20 0 CHADMN CC(C)c1ncc(CN(C)Cc2cccc3cc[nH]c32)cn1 ZINC000443066675 1123353512 /nfs/dbraw/zinc/35/35/12/1123353512.db2.gz KHERLNUGNTVWPR-UHFFFAOYSA-N 0 1 294.402 3.713 20 0 CHADMN C[C@H](c1nc(-c2ccc(F)cc2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000443104789 1123357064 /nfs/dbraw/zinc/35/70/64/1123357064.db2.gz OHTPYTHEHUVXSH-GRYCIOLGSA-N 0 1 289.354 3.810 20 0 CHADMN Clc1cccc(Cl)c1-c1noc([C@@H]2CCCCN2)n1 ZINC000335348136 1123361891 /nfs/dbraw/zinc/36/18/91/1123361891.db2.gz XBVRAQHZHVNYDS-JTQLQIEISA-N 0 1 298.173 3.858 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1nc(-c2ccc3[nH]ccc3c2)no1 ZINC000443220677 1123365306 /nfs/dbraw/zinc/36/53/06/1123365306.db2.gz WXKDXJWSZKKTFS-VXGBXAGGSA-N 0 1 296.374 3.591 20 0 CHADMN C[C@H](c1noc([C@H](C)N2[C@H](C)CC[C@H]2C)n1)C1CC1 ZINC000443229122 1123365351 /nfs/dbraw/zinc/36/53/51/1123365351.db2.gz XINATLWHNGBWGG-WYUUTHIRSA-N 0 1 263.385 3.517 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN(CCOC(F)F)C2CC2)o1 ZINC000851711997 1123373426 /nfs/dbraw/zinc/37/34/26/1123373426.db2.gz ICIZRXOHTPERBJ-GXFFZTMASA-N 0 1 285.334 3.607 20 0 CHADMN Fc1cccc(CN(Cc2ccco2)C2CCCC2)n1 ZINC000851730755 1123375276 /nfs/dbraw/zinc/37/52/76/1123375276.db2.gz RWYFLIYIHCUEPS-UHFFFAOYSA-N 0 1 274.339 3.759 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC[C@@H](c3ccccc3)CC2)[nH]1 ZINC000851749487 1123377880 /nfs/dbraw/zinc/37/78/80/1123377880.db2.gz ZQLNFEDPMFLAIC-GDBMZVCRSA-N 0 1 298.434 3.698 20 0 CHADMN NC1(c2noc([C@@H]3CC[C@@H](c4ccccc4)C3)n2)CCCC1 ZINC000634555728 1129117889 /nfs/dbraw/zinc/11/78/89/1129117889.db2.gz SKEDPDDZHFPWBF-HUUCEWRRSA-N 0 1 297.402 3.849 20 0 CHADMN CC(C)CC1CCN(Cc2cc(C3CC3)no2)CC1 ZINC000851810783 1123382343 /nfs/dbraw/zinc/38/23/43/1123382343.db2.gz MVGAYPHSEKXRDY-UHFFFAOYSA-N 0 1 262.397 3.810 20 0 CHADMN CC(C)[C@@H](NCc1cccc(F)n1)c1ccc(F)cc1 ZINC000851820109 1123383159 /nfs/dbraw/zinc/38/31/59/1123383159.db2.gz RAZAEUHPWSDVCJ-MRXNPFEDSA-N 0 1 276.330 3.847 20 0 CHADMN CC[C@@](C)(NCc1cc(OC)ns1)c1ccccc1 ZINC000851900875 1123387879 /nfs/dbraw/zinc/38/78/79/1123387879.db2.gz IFRFLRUFIGUBKI-OAHLLOKOSA-N 0 1 276.405 3.567 20 0 CHADMN Fc1cccc(CN2CCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000851911756 1123389228 /nfs/dbraw/zinc/38/92/28/1123389228.db2.gz DNBHYGOVXRUCNX-FMQWLBJXSA-N 0 1 282.362 3.899 20 0 CHADMN Fc1cccc(CN2CCC(c3ccsc3)CC2)n1 ZINC000851953803 1123390822 /nfs/dbraw/zinc/39/08/22/1123390822.db2.gz KLOJYKHYFCCHEI-UHFFFAOYSA-N 0 1 276.380 3.662 20 0 CHADMN c1ccc([C@@H]2CCN(Cc3nsc4ccccc34)C2)nc1 ZINC000852007615 1123393693 /nfs/dbraw/zinc/39/36/93/1123393693.db2.gz DAMAIIULHYGDTE-CYBMUJFWSA-N 0 1 295.411 3.681 20 0 CHADMN CC[C@@H]1C(=O)N(c2nc3ccccc3s2)N=C1C(C)C ZINC000634585853 1129119050 /nfs/dbraw/zinc/11/90/50/1129119050.db2.gz UHZCNCCQWKLYKQ-JTQLQIEISA-N 0 1 287.388 3.681 20 0 CHADMN CC[C@@H]1COCCN1Cc1ccc(C(F)(F)F)cc1C ZINC000443419427 1123397810 /nfs/dbraw/zinc/39/78/10/1123397810.db2.gz RNBIAOTVOOFXSE-CQSZACIVSA-N 0 1 287.325 3.625 20 0 CHADMN FC1(F)C[C@@]12CCCN(Cc1nsc3ccccc31)C2 ZINC000852213739 1123400611 /nfs/dbraw/zinc/40/06/11/1123400611.db2.gz ONGPQGSJFFIZBZ-CQSZACIVSA-N 0 1 294.370 3.918 20 0 CHADMN CCC(C)(C)[C@@H](C)NCc1nnc(-c2cccc(F)c2)o1 ZINC000852355369 1123404393 /nfs/dbraw/zinc/40/43/93/1123404393.db2.gz FLUBATIYYXKZAY-LLVKDONJSA-N 0 1 291.370 3.790 20 0 CHADMN CCc1c(=O)n(-c2cccc3ncccc32)[nH]c1C(C)C ZINC000634591239 1129119470 /nfs/dbraw/zinc/11/94/70/1129119470.db2.gz WSZCFFMSLJKYQL-LBPRGKRZSA-N 0 1 281.359 3.620 20 0 CHADMN C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCCCCCC1 ZINC000008338916 1123405430 /nfs/dbraw/zinc/40/54/30/1123405430.db2.gz HMOIVVPXSMPLFA-GFCCVEGCSA-N 0 1 296.361 3.558 20 0 CHADMN CCC(C)(C)[C@H]1CCCN1Cc1csc(NC(C)=O)n1 ZINC000156947665 1129119750 /nfs/dbraw/zinc/11/97/50/1129119750.db2.gz VPXGECSMKVGFRQ-CYBMUJFWSA-N 0 1 295.452 3.502 20 0 CHADMN O=c1cc(CCc2ccccc2)[nH]n1C1CCCCC1 ZINC000634593966 1129119804 /nfs/dbraw/zinc/11/98/04/1129119804.db2.gz GKDALQNPFUHKRF-UHFFFAOYSA-N 0 1 270.376 3.540 20 0 CHADMN CCC1=NN([C@@H](C)c2ccc(Cl)cc2)C(=O)[C@@H]1C ZINC000634601563 1129119866 /nfs/dbraw/zinc/11/98/66/1129119866.db2.gz QBHNTFWRGMJLQZ-ZJUUUORDSA-N 0 1 264.756 3.645 20 0 CHADMN CCc1[nH]n([C@@H](C)c2ccc(Cl)cc2)c(=O)c1C ZINC000634601563 1129119868 /nfs/dbraw/zinc/11/98/68/1129119868.db2.gz QBHNTFWRGMJLQZ-ZJUUUORDSA-N 0 1 264.756 3.645 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC(F)(c3ccccc3)CC2)cn1 ZINC000335700210 1123412505 /nfs/dbraw/zinc/41/25/05/1123412505.db2.gz QBEULHQZXBTXMY-OAHLLOKOSA-N 0 1 299.393 3.807 20 0 CHADMN CC(C)n1nccc1CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000852781844 1123414608 /nfs/dbraw/zinc/41/46/08/1123414608.db2.gz ROBCBIPLZLHJSI-CQSZACIVSA-N 0 1 299.418 3.640 20 0 CHADMN COc1ccc2nc(SC[C@@H](F)C(F)(F)F)[nH]c2c1 ZINC000443478061 1123415489 /nfs/dbraw/zinc/41/54/89/1123415489.db2.gz SLWBTASTJQQGFF-SECBINFHSA-N 0 1 294.273 3.564 20 0 CHADMN CSc1ccc(N2N=C3CCCCC[C@@H]3C2=O)cc1 ZINC000634593875 1129120202 /nfs/dbraw/zinc/12/02/02/1129120202.db2.gz CJLSTIVDASHPGN-ZDUSSCGKSA-N 0 1 274.389 3.691 20 0 CHADMN CSc1ccc(-n2[nH]c3c(c2=O)CCCCC3)cc1 ZINC000634593875 1129120204 /nfs/dbraw/zinc/12/02/04/1129120204.db2.gz CJLSTIVDASHPGN-ZDUSSCGKSA-N 0 1 274.389 3.691 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000335723788 1123418075 /nfs/dbraw/zinc/41/80/75/1123418075.db2.gz MAINOOANXGJBMY-VXGBXAGGSA-N 0 1 291.345 3.629 20 0 CHADMN CCCCCCNC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000111036328 1123420308 /nfs/dbraw/zinc/42/03/08/1123420308.db2.gz KQZWLWBBLBWWJT-QGZVFWFLSA-N 0 1 290.451 3.766 20 0 CHADMN Fc1ccc2c(c1)[C@@H](NCc1ccnn1CC1CCC1)CC2 ZINC000631067864 1123421267 /nfs/dbraw/zinc/42/12/67/1123421267.db2.gz UIYZNCICPXWGMP-SFHVURJKSA-N 0 1 299.393 3.599 20 0 CHADMN CCCc1cc(=O)n([C@H](C)c2ccc(Cl)cc2)[nH]1 ZINC000634601918 1129120623 /nfs/dbraw/zinc/12/06/23/1129120623.db2.gz YXGDEKLSEGEIJF-SNVBAGLBSA-N 0 1 264.756 3.789 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N1CC(C)(C)OC(C)(C)C1 ZINC000442880674 1123424009 /nfs/dbraw/zinc/42/40/09/1123424009.db2.gz ZHGKIVHLGQGZTQ-LBPRGKRZSA-N 0 1 265.372 3.776 20 0 CHADMN Cc1nnsc1CN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000293640048 1129120960 /nfs/dbraw/zinc/12/09/60/1129120960.db2.gz KRZUHRQIHSOQSD-LLVKDONJSA-N 0 1 287.432 3.576 20 0 CHADMN CCCCCC[C@@](C)(CC)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853220345 1123427960 /nfs/dbraw/zinc/42/79/60/1123427960.db2.gz LADWURJIYWPZTJ-IUODEOHRSA-N 0 1 281.400 3.796 20 0 CHADMN Fc1ccc(/C=C\CNCc2ccc(F)cc2F)cc1 ZINC001648959713 1123434839 /nfs/dbraw/zinc/43/48/39/1123434839.db2.gz FJCYNNOBEOJIHV-UPHRSURJSA-N 0 1 277.289 3.907 20 0 CHADMN C/C(=C\C(=O)Nc1cccc2c1CN(CC(C)C)C2)C1CC1 ZINC000179035539 1123435024 /nfs/dbraw/zinc/43/50/24/1123435024.db2.gz GEMIPTRRXKQCQB-NTEUORMPSA-N 0 1 298.430 3.953 20 0 CHADMN O=c1c2c([nH]n1Cc1ccc(-c3ccccc3)cc1)CCC2 ZINC000634617119 1129121465 /nfs/dbraw/zinc/12/14/65/1129121465.db2.gz GMJPWWQIACBURN-KRWDZBQOSA-N 0 1 290.366 3.852 20 0 CHADMN CC(C)(C)C[N@@H+](CCCC1CCCCC1)CC(=O)[O-] ZINC000665351289 1123436136 /nfs/dbraw/zinc/43/61/36/1123436136.db2.gz YPZFBJBNLLPFFE-UHFFFAOYSA-N 0 1 269.429 3.780 20 0 CHADMN C[C@@H]1CC[C@@H]2C(=O)N(Cc3cccc(Cl)c3Cl)N=C12 ZINC000634623692 1129121557 /nfs/dbraw/zinc/12/15/57/1129121557.db2.gz MPHLBRKQRJQEJV-SCZZXKLOSA-N 0 1 297.185 3.738 20 0 CHADMN C[C@@H]1CCc2c(=O)n(Cc3cccc(Cl)c3Cl)[nH]c21 ZINC000634623692 1129121558 /nfs/dbraw/zinc/12/15/58/1129121558.db2.gz MPHLBRKQRJQEJV-SCZZXKLOSA-N 0 1 297.185 3.738 20 0 CHADMN COc1nccc(CN[C@H](CC(C)(C)C)c2ccccc2)n1 ZINC000395116067 1123437194 /nfs/dbraw/zinc/43/71/94/1123437194.db2.gz GOOIMOASALQUQJ-MRXNPFEDSA-N 0 1 299.418 3.752 20 0 CHADMN Cc1cccc(C)c1[C@@H]1CCCN1CN1CCSC1=O ZINC000853524004 1123443161 /nfs/dbraw/zinc/44/31/61/1123443161.db2.gz VDPUNKLOPBXPDL-AWEZNQCLSA-N 0 1 290.432 3.567 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1CC[C@@H](C)C[C@H](C)C1 ZINC000443636855 1123454063 /nfs/dbraw/zinc/45/40/63/1123454063.db2.gz DJRZUNBNLISXJK-FRRDWIJNSA-N 0 1 279.428 3.796 20 0 CHADMN Cc1ccccc1-c1nc(CN2CC[C@H](C)C[C@H](C)C2)no1 ZINC000443639765 1123455434 /nfs/dbraw/zinc/45/54/34/1123455434.db2.gz LOBUKBWLZFXIGB-KBPBESRZSA-N 0 1 299.418 3.913 20 0 CHADMN Cc1cccc2nc(CN(C)[C@H](C)c3ccccc3)cn21 ZINC000051428237 1123456181 /nfs/dbraw/zinc/45/61/81/1123456181.db2.gz HPASTSPEPMTVRL-OAHLLOKOSA-N 0 1 279.387 3.836 20 0 CHADMN C[C@@H](NCCOC1CCCCC1)c1c(F)cccc1F ZINC000111636283 1123457766 /nfs/dbraw/zinc/45/77/66/1123457766.db2.gz KBQDNNQZPFYHRR-GFCCVEGCSA-N 0 1 283.362 3.965 20 0 CHADMN CCOc1ccc(CNCc2ccc3occc3c2)o1 ZINC000895330363 1123459361 /nfs/dbraw/zinc/45/93/61/1123459361.db2.gz NEZVHYSLBIOHHY-UHFFFAOYSA-N 0 1 271.316 3.714 20 0 CHADMN COCC1=CC[N@@H+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000469790321 1123459423 /nfs/dbraw/zinc/45/94/23/1123459423.db2.gz KIHKUQVPUMHSGJ-IHWYPQMZSA-N 0 1 277.795 3.632 20 0 CHADMN COCC1=CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000469790321 1123459424 /nfs/dbraw/zinc/45/94/24/1123459424.db2.gz KIHKUQVPUMHSGJ-IHWYPQMZSA-N 0 1 277.795 3.632 20 0 CHADMN Clc1ccccc1O[C@H]1CCN([C@H]2C=CCCC2)C1 ZINC000443654689 1123462308 /nfs/dbraw/zinc/46/23/08/1123462308.db2.gz XURDMGSHUKIPPS-KBPBESRZSA-N 0 1 277.795 3.902 20 0 CHADMN Cc1nc(CNc2nccc(C)c2C2CC2)sc1C ZINC000895347128 1123463549 /nfs/dbraw/zinc/46/35/49/1123463549.db2.gz DHMNHIYYNGILAO-UHFFFAOYSA-N 0 1 273.405 3.953 20 0 CHADMN C[C@@H]1CCN[C@H](c2nc(-c3cccc4ccoc43)no2)C1 ZINC001211880352 1123465716 /nfs/dbraw/zinc/46/57/16/1123465716.db2.gz GXUUFVVKPCKGHV-MFKMUULPSA-N 0 1 283.331 3.543 20 0 CHADMN CCc1ccc(CNCc2cccc(Br)c2)o1 ZINC000051724782 1123469980 /nfs/dbraw/zinc/46/99/80/1123469980.db2.gz IRGLDBMDLITGGI-UHFFFAOYSA-N 0 1 294.192 3.894 20 0 CHADMN Cc1ccc(-c2noc([C@@H]3C[C@H](C)CCN3)n2)c(Cl)c1 ZINC001211881099 1123470507 /nfs/dbraw/zinc/47/05/07/1123470507.db2.gz YEWPVKZVCJXKAW-MFKMUULPSA-N 0 1 291.782 3.759 20 0 CHADMN CCc1ccc(CN2CCC[C@H]2c2cc(C)no2)s1 ZINC000535787210 1123472461 /nfs/dbraw/zinc/47/24/61/1123472461.db2.gz LJRCXQNIDXUAMT-AWEZNQCLSA-N 0 1 276.405 3.944 20 0 CHADMN CC[C@@H](C)CN(C)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000474156708 1123475057 /nfs/dbraw/zinc/47/50/57/1123475057.db2.gz ICMYZDBVQPMXLP-GFCCVEGCSA-N 0 1 299.418 3.812 20 0 CHADMN COCCCCSc1nc2ccc(Cl)cc2[nH]1 ZINC000114095499 1123480602 /nfs/dbraw/zinc/48/06/02/1123480602.db2.gz LMDLMXQWIDCENW-UHFFFAOYSA-N 0 1 270.785 3.735 20 0 CHADMN Cc1ncoc1CNCc1ccc(C(C)(C)C)s1 ZINC000895473168 1123483827 /nfs/dbraw/zinc/48/38/27/1123483827.db2.gz GZASXLVJQGQCAJ-UHFFFAOYSA-N 0 1 264.394 3.632 20 0 CHADMN CCC[C@@](C)(CC)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000474196985 1123485930 /nfs/dbraw/zinc/48/59/30/1123485930.db2.gz JXUFIJZSWRPENU-CZUORRHYSA-N 0 1 296.480 3.683 20 0 CHADMN C[C@@H](NC(=O)/C=C\[C@]1(C)CC[C@@H](C)C1(C)C)c1ncc[nH]1 ZINC000854594137 1123489712 /nfs/dbraw/zinc/48/97/12/1123489712.db2.gz FHMSNDMNYPIHPJ-WIOAUMGTSA-N 0 1 289.423 3.606 20 0 CHADMN CCCCCCC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000854646923 1123491814 /nfs/dbraw/zinc/49/18/14/1123491814.db2.gz KTJLKQXZSLQZFP-UHFFFAOYSA-N 0 1 287.363 3.691 20 0 CHADMN COc1ccc(CNCc2ccccc2CC(F)(F)F)o1 ZINC000895668115 1123504107 /nfs/dbraw/zinc/50/41/07/1123504107.db2.gz GAGNPWKLBAQRJY-UHFFFAOYSA-N 0 1 299.292 3.683 20 0 CHADMN CC(C)[C@@H](NCc1ccc[nH]c1=O)c1ccc(F)cc1F ZINC000634686038 1129126151 /nfs/dbraw/zinc/12/61/51/1129126151.db2.gz AIYPDFPUSDNBEC-OAHLLOKOSA-N 0 1 292.329 3.552 20 0 CHADMN CCOc1ccc(CNCc2csc(C)c2C)o1 ZINC000895739328 1123510032 /nfs/dbraw/zinc/51/00/32/1123510032.db2.gz ZYMXZYWEBFLVDS-UHFFFAOYSA-N 0 1 265.378 3.646 20 0 CHADMN C[C@@H](N[C@@H](C)C1CCC(F)(F)CC1)c1ncco1 ZINC000895766266 1123510618 /nfs/dbraw/zinc/51/06/18/1123510618.db2.gz QQHGBHWXRHOHEE-VHSXEESVSA-N 0 1 258.312 3.539 20 0 CHADMN CCc1cccc(Cl)c1CNCc1ccc(OC)nc1 ZINC000474364468 1123513580 /nfs/dbraw/zinc/51/35/80/1123513580.db2.gz YDAORJBEUINVPB-UHFFFAOYSA-N 0 1 290.794 3.596 20 0 CHADMN CCCSC[C@H](C)NCc1noc2ccc(F)cc12 ZINC000895819765 1123518056 /nfs/dbraw/zinc/51/80/56/1123518056.db2.gz LSQCMMGCPXHQRC-JTQLQIEISA-N 0 1 282.384 3.588 20 0 CHADMN Cc1cnc(CCN(C)[C@@H](C)c2cc(F)ccc2F)s1 ZINC000157357857 1129127060 /nfs/dbraw/zinc/12/70/60/1129127060.db2.gz HLPTYQDWISAQBN-NSHDSACASA-N 0 1 296.386 3.965 20 0 CHADMN Fc1cccc2c(CN3CCC(F)(F)CC3)c[nH]c21 ZINC001137051294 1123523270 /nfs/dbraw/zinc/52/32/70/1123523270.db2.gz LWDWPLUDMPLTDB-UHFFFAOYSA-N 0 1 268.282 3.538 20 0 CHADMN Cc1oc(C(C)(C)C)cc1CN[C@H]1CCCn2nccc21 ZINC000895881899 1123525096 /nfs/dbraw/zinc/52/50/96/1123525096.db2.gz QVZHCAFGQGAQGG-AWEZNQCLSA-N 0 1 287.407 3.707 20 0 CHADMN CCN(CC(=O)NC(C)(C)CC)[C@H](C)c1ccc(F)cc1 ZINC000053088264 1123525294 /nfs/dbraw/zinc/52/52/94/1123525294.db2.gz LCJJQFVXMDMPPJ-CYBMUJFWSA-N 0 1 294.414 3.513 20 0 CHADMN Cc1cc(CN[C@H]2CCc3cccc4cccc2c43)nn1C ZINC000895933120 1123532251 /nfs/dbraw/zinc/53/22/51/1123532251.db2.gz AIBFIQIUKIIOQC-SFHVURJKSA-N 0 1 291.398 3.659 20 0 CHADMN Cc1nc(CN[C@H]2CCc3cccc4cccc2c43)[nH]c1C ZINC000895935023 1123532852 /nfs/dbraw/zinc/53/28/52/1123532852.db2.gz MPWKHZZJRJTCRQ-KRWDZBQOSA-N 0 1 291.398 3.957 20 0 CHADMN CCSc1ccc(CNCc2cnc(F)cc2C)cc1 ZINC000895993301 1123540160 /nfs/dbraw/zinc/54/01/60/1123540160.db2.gz ARMWMEWEYMCJOZ-UHFFFAOYSA-N 0 1 290.407 3.931 20 0 CHADMN FC(F)(F)c1nc(CNC2(C3CC3)CCC2)cs1 ZINC000896071597 1123547417 /nfs/dbraw/zinc/54/74/17/1123547417.db2.gz QJOYOQOHMFXAFM-UHFFFAOYSA-N 0 1 276.327 3.584 20 0 CHADMN C[C@H](N[C@@H](C)c1coc2ccccc12)c1cnn(C)c1 ZINC000925130368 1123550029 /nfs/dbraw/zinc/55/00/29/1123550029.db2.gz NQVBNHXGVLJREH-RYUDHWBXSA-N 0 1 269.348 3.578 20 0 CHADMN Cc1ccoc1CNCc1ccc(C(F)F)cc1 ZINC000274143155 1129129794 /nfs/dbraw/zinc/12/97/94/1129129794.db2.gz HGCXXAXWQWNVIF-UHFFFAOYSA-N 0 1 251.276 3.815 20 0 CHADMN Cc1cc(CN2CC[C@@H](c3c(F)cccc3F)C2)ccn1 ZINC000856734398 1123566372 /nfs/dbraw/zinc/56/63/72/1123566372.db2.gz CJEAGTAJRRBNQJ-CQSZACIVSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1nccnc1CN[C@@H](C)c1csc2ccccc21 ZINC000856769359 1123567369 /nfs/dbraw/zinc/56/73/69/1123567369.db2.gz MLYUKMOTPJNDSE-NSHDSACASA-N 0 1 283.400 3.851 20 0 CHADMN COc1cccc(CN2CCC[C@@H](C)C2)c1OC(F)F ZINC000157694679 1129132053 /nfs/dbraw/zinc/13/20/53/1129132053.db2.gz RLXINXSINQVTHL-LLVKDONJSA-N 0 1 285.334 3.529 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(C(C)C)nc1 ZINC000928621231 1123597765 /nfs/dbraw/zinc/59/77/65/1123597765.db2.gz UYEPXXAPWLTMFZ-UHFFFAOYSA-N 0 1 286.379 3.612 20 0 CHADMN Cc1ncc(CN(C)CCOc2cc(C)ccc2C)s1 ZINC000339005121 1123598936 /nfs/dbraw/zinc/59/89/36/1123598936.db2.gz LAMQKYKTYPPZKM-UHFFFAOYSA-N 0 1 290.432 3.579 20 0 CHADMN Cc1ccccc1CCCN(C)Cc1cn2c(n1)CCCC2 ZINC000429542509 1123599197 /nfs/dbraw/zinc/59/91/97/1123599197.db2.gz YIISPAGFTRCPDX-UHFFFAOYSA-N 0 1 297.446 3.592 20 0 CHADMN CCc1ccc(N(CC(C)C)C(=O)[C@@H](CC)N(C)C)cc1 ZINC000857500583 1123602971 /nfs/dbraw/zinc/60/29/71/1123602971.db2.gz VJYAGFCRQPFEOP-QGZVFWFLSA-N 0 1 290.451 3.578 20 0 CHADMN c1csc([C@H]2CN(CCCc3ccccc3)CCO2)c1 ZINC000157796372 1129132953 /nfs/dbraw/zinc/13/29/53/1129132953.db2.gz ONSHPRVLHBXBPX-MRXNPFEDSA-N 0 1 287.428 3.754 20 0 CHADMN Cc1ccn2c(CN(C)[C@H](C)c3cccs3)cnc2c1 ZINC000157822922 1129133440 /nfs/dbraw/zinc/13/34/40/1129133440.db2.gz HZLKLNCTBAZYBH-CYBMUJFWSA-N 0 1 285.416 3.897 20 0 CHADMN CCCCc1noc(CN(C2CC2)C2CCC(C)CC2)n1 ZINC000339005795 1123616110 /nfs/dbraw/zinc/61/61/10/1123616110.db2.gz ZNRAQOAUYWBBQQ-UHFFFAOYSA-N 0 1 291.439 3.955 20 0 CHADMN Cc1ccc(OCCN(C)Cc2ccc(Cl)nc2)cc1 ZINC000857760723 1123619002 /nfs/dbraw/zinc/61/90/02/1123619002.db2.gz ZXSFNQCKYUXWNV-UHFFFAOYSA-N 0 1 290.794 3.554 20 0 CHADMN Cc1cc([C@@H](N[C@@H]2CCCc3c[nH]nc32)C2CC2)ccc1F ZINC000857859606 1123621953 /nfs/dbraw/zinc/62/19/53/1123621953.db2.gz HBWQGLOBHGESER-SJORKVTESA-N 0 1 299.393 3.976 20 0 CHADMN Cc1cccc(C2(N[C@H]3CCCc4c[nH]nc43)CCC2)c1 ZINC000857873342 1123624034 /nfs/dbraw/zinc/62/40/34/1123624034.db2.gz WXKAZBNLIRZSAI-INIZCTEOSA-N 0 1 281.403 3.765 20 0 CHADMN Fc1cc(CN[C@H]2CCCc3c(F)cccc32)ccn1 ZINC000858170537 1123636064 /nfs/dbraw/zinc/63/60/64/1123636064.db2.gz NGNDJJSWSGJNNY-HNNXBMFYSA-N 0 1 274.314 3.527 20 0 CHADMN Fc1cc(CN[C@@H]2CCCc3c(F)cccc32)ccn1 ZINC000858170538 1123636090 /nfs/dbraw/zinc/63/60/90/1123636090.db2.gz NGNDJJSWSGJNNY-OAHLLOKOSA-N 0 1 274.314 3.527 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)N[C@@H](C)c2ccnn2C)c1 ZINC000192248374 1123636823 /nfs/dbraw/zinc/63/68/23/1123636823.db2.gz LOKZQTQKGHKBJY-KGLIPLIRSA-N 0 1 287.407 3.619 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)c1ccnn1C ZINC000192248882 1123637870 /nfs/dbraw/zinc/63/78/70/1123637870.db2.gz BRUDSGVXFVPLEX-WDEREUQCSA-N 0 1 297.324 3.851 20 0 CHADMN CC[C@@H](NCc1cnn(C)c1Cl)c1cc(C)ccc1C ZINC000858295750 1123642509 /nfs/dbraw/zinc/64/25/09/1123642509.db2.gz IOPUKOARGNFFLV-OAHLLOKOSA-N 0 1 291.826 3.931 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnc(C)cn1)c1ccc(C)cc1 ZINC000428307802 1123643222 /nfs/dbraw/zinc/64/32/22/1123643222.db2.gz WJHFHDUMQYDXOO-GDBMZVCRSA-N 0 1 269.392 3.895 20 0 CHADMN CSc1ccc(CN[C@@H](C)c2ccns2)s1 ZINC000858316760 1123644396 /nfs/dbraw/zinc/64/43/96/1123644396.db2.gz KXPZPRFNTHFMAL-QMMMGPOBSA-N 0 1 270.448 3.777 20 0 CHADMN CCc1nocc1CN[C@@H]1CCc2ccc(Cl)cc21 ZINC000858320778 1123645543 /nfs/dbraw/zinc/64/55/43/1123645543.db2.gz IPBFUYFMDGEEEW-OAHLLOKOSA-N 0 1 276.767 3.668 20 0 CHADMN CC(C)(C)OCCCCN1CCc2c(F)cc(F)cc2C1 ZINC000475036983 1123652622 /nfs/dbraw/zinc/65/26/22/1123652622.db2.gz ZLXQNXZDCQOZFG-UHFFFAOYSA-N 0 1 297.389 3.918 20 0 CHADMN CC(C)n1ccnc1CN(C)C[C@H](C)C(C)(C)C ZINC000639399687 1123656048 /nfs/dbraw/zinc/65/60/48/1123656048.db2.gz SFFOHEQKMINLQD-ZDUSSCGKSA-N 0 1 251.418 3.578 20 0 CHADMN Cc1nc2ccc(NC(=O)C[C@H]3CCC[C@H]3C)cc2[nH]1 ZINC000346093673 1123663760 /nfs/dbraw/zinc/66/37/60/1123663760.db2.gz NSJLATJSVHPZIF-ZYHUDNBSSA-N 0 1 271.364 3.636 20 0 CHADMN CCOc1cccc([C@H](C)N[C@H](C)c2ccns2)c1 ZINC000858577482 1123664804 /nfs/dbraw/zinc/66/48/04/1123664804.db2.gz QFMPKZQKHMZQLO-NWDGAFQWSA-N 0 1 276.405 3.954 20 0 CHADMN C[C@@H](N[C@@H]1CCc2c1cc(F)cc2F)c1ccns1 ZINC000858578305 1123664942 /nfs/dbraw/zinc/66/49/42/1123664942.db2.gz UNDWWTXKPYYJOL-AMIZOPFISA-N 0 1 280.343 3.759 20 0 CHADMN CC(=O)[C@H]1CCCN(Cc2cc(C)cc(C)c2Cl)C1 ZINC001237700404 1129137164 /nfs/dbraw/zinc/13/71/64/1129137164.db2.gz CTRNWQLBOZZZEP-AWEZNQCLSA-N 0 1 279.811 3.758 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1ccns1 ZINC000858578417 1123665913 /nfs/dbraw/zinc/66/59/13/1123665913.db2.gz ZNVONRHOZANHLK-NWDGAFQWSA-N 0 1 288.416 3.880 20 0 CHADMN CCS[C@@H]1CC[C@@H](N(C)Cc2ncc(CC)s2)C1 ZINC000346174120 1123669430 /nfs/dbraw/zinc/66/94/30/1123669430.db2.gz NMFMLWUDCLHZJY-DGCLKSJQSA-N 0 1 284.494 3.812 20 0 CHADMN Cc1cccc2nc(CNC(=O)Nc3ccccc3C)[nH]c21 ZINC000346310528 1123680036 /nfs/dbraw/zinc/68/00/36/1123680036.db2.gz HXUIEQPBFZHMBE-UHFFFAOYSA-N 0 1 294.358 3.501 20 0 CHADMN CC(C)[C@H](NCc1cc(Cl)n(C)n1)c1ccccc1 ZINC000859060980 1123681377 /nfs/dbraw/zinc/68/13/77/1123681377.db2.gz FTIUWBGXEJLJGJ-HNNXBMFYSA-N 0 1 277.799 3.560 20 0 CHADMN CC(C)n1ccnc1CN[C@@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000348533398 1123685997 /nfs/dbraw/zinc/68/59/97/1123685997.db2.gz SPFBEAASFXRZRY-SUNYJGFJSA-N 0 1 299.418 3.507 20 0 CHADMN CCc1noc([C@H](C)N2CCCC(CC)(CC)CC2)n1 ZINC000346469121 1123687401 /nfs/dbraw/zinc/68/74/01/1123687401.db2.gz MJULVRZXPLXQMH-ZDUSSCGKSA-N 0 1 279.428 3.985 20 0 CHADMN C[C@H](N[C@H](c1cccnc1)c1ccc(F)cc1F)C1CC1 ZINC000346469409 1123687747 /nfs/dbraw/zinc/68/77/47/1123687747.db2.gz BLSOQNGWGYFYJX-APPDUMDISA-N 0 1 288.341 3.837 20 0 CHADMN Fc1cncc([C@@H](NCc2ccsc2)C2CC2)c1 ZINC000281235296 1123690613 /nfs/dbraw/zinc/69/06/13/1123690613.db2.gz MRONRZUZTDPPMW-AWEZNQCLSA-N 0 1 262.353 3.523 20 0 CHADMN O=C(c1cnc[nH]1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000346528292 1123692207 /nfs/dbraw/zinc/69/22/07/1123692207.db2.gz PTTRRDULGCINPT-KRWDZBQOSA-N 0 1 291.354 3.540 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1NCc1ncc(C2CC2)o1 ZINC000346537609 1123693181 /nfs/dbraw/zinc/69/31/81/1123693181.db2.gz RVJFKAZCDVVPOP-GXTWGEPZSA-N 0 1 280.437 3.706 20 0 CHADMN CCS[C@H]1CCCC[C@H]1NCc1ncc(C2CC2)o1 ZINC000346537611 1123693505 /nfs/dbraw/zinc/69/35/05/1123693505.db2.gz RVJFKAZCDVVPOP-OCCSQVGLSA-N 0 1 280.437 3.706 20 0 CHADMN CSCCCN[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000346571488 1123694586 /nfs/dbraw/zinc/69/45/86/1123694586.db2.gz ZCXKYDIUCBPGEH-MRXNPFEDSA-N 0 1 290.407 3.653 20 0 CHADMN CCS[C@@H]1CCCC[C@H]1N[C@H](C)c1ncc(C)o1 ZINC000346583330 1123697531 /nfs/dbraw/zinc/69/75/31/1123697531.db2.gz VZBBECGYCBDMJZ-JHJVBQTASA-N 0 1 268.426 3.698 20 0 CHADMN CC(C)Oc1cccc(CNc2ccc3nc[nH]c3c2)c1 ZINC000346645254 1123701462 /nfs/dbraw/zinc/70/14/62/1123701462.db2.gz MGBIZLHXCBFOJT-UHFFFAOYSA-N 0 1 281.359 3.962 20 0 CHADMN Cc1cccc([C@H](N[C@@H](C)[C@@H]2CCCO2)c2ccccn2)c1 ZINC000346630295 1123702366 /nfs/dbraw/zinc/70/23/66/1123702366.db2.gz VEAFMHSOLMLRDY-SNRMKQJTSA-N 0 1 296.414 3.637 20 0 CHADMN Clc1ccc(CNc2ccc3nc[nH]c3c2)s1 ZINC000346636426 1123703241 /nfs/dbraw/zinc/70/32/41/1123703241.db2.gz AUPRCMNLEKRCQU-UHFFFAOYSA-N 0 1 263.753 3.890 20 0 CHADMN Fc1ccc(Cl)cc1CNc1ccc2nc[nH]c2c1 ZINC000346685434 1123708961 /nfs/dbraw/zinc/70/89/61/1123708961.db2.gz QRIGHTQVEFGZRZ-UHFFFAOYSA-N 0 1 275.714 3.968 20 0 CHADMN CC[C@H](NCc1cnc(Cl)cn1)c1cc(C)ccc1C ZINC000859937026 1123717119 /nfs/dbraw/zinc/71/71/19/1123717119.db2.gz QDKDYDYZMKRVNF-HNNXBMFYSA-N 0 1 289.810 3.988 20 0 CHADMN COCC[C@H](N[C@H](C)c1ccns1)c1ccccc1 ZINC000860058174 1123719057 /nfs/dbraw/zinc/71/90/57/1123719057.db2.gz JBZVXJWHEACHAG-OCCSQVGLSA-N 0 1 276.405 3.572 20 0 CHADMN CC(C)CC[C@@H]1CCCCN1Cc1nnc(C2CC2)o1 ZINC000158166844 1129140935 /nfs/dbraw/zinc/14/09/35/1129140935.db2.gz VXMQPSKUZFYABD-AWEZNQCLSA-N 0 1 277.412 3.738 20 0 CHADMN COc1ccncc1CN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000346954483 1123736219 /nfs/dbraw/zinc/73/62/19/1123736219.db2.gz GIZVZZKRBZGKDX-QZEKMECESA-N 0 1 294.398 3.768 20 0 CHADMN Fc1ccc(C2(NCCOC3CCC3)CCC2)c(F)c1 ZINC000346954727 1123737163 /nfs/dbraw/zinc/73/71/63/1123737163.db2.gz GSRAWHNECPJVRZ-UHFFFAOYSA-N 0 1 281.346 3.503 20 0 CHADMN CCOc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000346982508 1123739211 /nfs/dbraw/zinc/73/92/11/1123739211.db2.gz MMRAEJKTKSHFCF-SFHVURJKSA-N 0 1 282.387 3.817 20 0 CHADMN Cc1nn(C(C)C)cc1CN(C)Cc1ccc(C)cc1 ZINC000281719114 1123741467 /nfs/dbraw/zinc/74/14/67/1123741467.db2.gz UKKPXUDEGGHQTB-UHFFFAOYSA-N 0 1 271.408 3.713 20 0 CHADMN Cc1nn(C(C)C)cc1CN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000281757162 1123743724 /nfs/dbraw/zinc/74/37/24/1123743724.db2.gz WFTHSPZNLBMWLJ-RDTXWAMCSA-N 0 1 283.419 3.965 20 0 CHADMN CCOCC[N@@H+](CC)Cc1oc(-c2ccccc2)nc1C ZINC000639484040 1123746091 /nfs/dbraw/zinc/74/60/91/1123746091.db2.gz YIMIZMMYWOXVIH-UHFFFAOYSA-N 0 1 288.391 3.508 20 0 CHADMN Cc1cc(Cl)nc(CNCc2cc(F)ccc2C)c1 ZINC000281885950 1123748167 /nfs/dbraw/zinc/74/81/67/1123748167.db2.gz DNFFJEDKJUBBQX-UHFFFAOYSA-N 0 1 278.758 3.781 20 0 CHADMN C[N@@H+](CCCCC1CCOCC1)Cc1ccc(Cl)nc1 ZINC000281916848 1123750399 /nfs/dbraw/zinc/75/03/99/1123750399.db2.gz GWRBOSQXEFQKLP-UHFFFAOYSA-N 0 1 296.842 3.764 20 0 CHADMN CCC[C@H](C(=O)NOCC(F)F)c1cccc(Cl)c1 ZINC000860811916 1123750498 /nfs/dbraw/zinc/75/04/98/1123750498.db2.gz LANVDSOGQADQIE-NSHDSACASA-N 0 1 291.725 3.537 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cnc3ccccn23)cc1 ZINC000158345873 1129143463 /nfs/dbraw/zinc/14/34/63/1129143463.db2.gz POJLVNNJHYBXRE-AWEZNQCLSA-N 0 1 295.386 3.536 20 0 CHADMN Cc1oncc1CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000336334884 1123762105 /nfs/dbraw/zinc/76/21/05/1123762105.db2.gz FTQSLVKEEHONNQ-GFCCVEGCSA-N 0 1 288.313 3.538 20 0 CHADMN CCCC[C@@H](CC)CNC(=O)c1n[nH]c2ccccc21 ZINC000029709419 1123763774 /nfs/dbraw/zinc/76/37/74/1123763774.db2.gz FAOSWUSDSLFXEV-GFCCVEGCSA-N 0 1 273.380 3.509 20 0 CHADMN Cc1nc(C)c(CN[C@H]2c3ccc(F)cc3O[C@@H]2C)s1 ZINC000336357734 1123765009 /nfs/dbraw/zinc/76/50/09/1123765009.db2.gz CPMIECULEYKIIX-RFAUZJTJSA-N 0 1 292.379 3.511 20 0 CHADMN Cc1cscc1NC(=O)c1c[nH]nc1-c1ccsc1 ZINC000444251748 1123775604 /nfs/dbraw/zinc/77/56/04/1123775604.db2.gz MIWAWCNQJRRWKO-UHFFFAOYSA-N 0 1 289.385 3.760 20 0 CHADMN Cc1ccsc1CNCc1cn2cc(Cl)ccc2n1 ZINC000042207974 1123780531 /nfs/dbraw/zinc/78/05/31/1123780531.db2.gz VUDBNKUKOAMROL-UHFFFAOYSA-N 0 1 291.807 3.647 20 0 CHADMN CCc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000042243273 1123781532 /nfs/dbraw/zinc/78/15/32/1123781532.db2.gz VCXSQEYHAPHVKE-OAHLLOKOSA-N 0 1 296.414 3.708 20 0 CHADMN C[C@H]1CCCN(Cc2ccc(F)cc2Br)C1 ZINC000042229610 1123783850 /nfs/dbraw/zinc/78/38/50/1123783850.db2.gz XOXSFROVQVRSCL-JTQLQIEISA-N 0 1 286.188 3.820 20 0 CHADMN CCCCCC[C@@](C)(CC)C(=O)N1CCc2nc[nH]c2C1 ZINC000861761208 1123784647 /nfs/dbraw/zinc/78/46/47/1123784647.db2.gz ZIFICTOSHARIQA-QGZVFWFLSA-N 0 1 291.439 3.681 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccncn1)c1ccc2c(c1)CCCC2 ZINC000395878997 1123787927 /nfs/dbraw/zinc/78/79/27/1123787927.db2.gz GQWCCAQHKXEYHG-KGLIPLIRSA-N 0 1 281.403 3.767 20 0 CHADMN CC[C@@H](NCc1cnc(C)nc1)c1ccc(Cl)cc1 ZINC000339033826 1123790352 /nfs/dbraw/zinc/79/03/52/1123790352.db2.gz LNVBWKMFPWOGQW-OAHLLOKOSA-N 0 1 275.783 3.679 20 0 CHADMN CSc1ccc(CN2CCC(F)(C3CC3)CC2)o1 ZINC000896946542 1123791739 /nfs/dbraw/zinc/79/17/39/1123791739.db2.gz WISSMHKQFWZSBG-UHFFFAOYSA-N 0 1 269.385 3.716 20 0 CHADMN Cc1nc(CN(Cc2ccccc2)C(C)(C)C)[nH]c1C ZINC000862212010 1123791814 /nfs/dbraw/zinc/79/18/14/1123791814.db2.gz NUAQWPHWQORDMN-UHFFFAOYSA-N 0 1 271.408 3.827 20 0 CHADMN C[C@H](NC(=O)Nc1c(O)cc(F)cc1F)c1ccccc1 ZINC001202506207 1123791823 /nfs/dbraw/zinc/79/18/23/1123791823.db2.gz PNVQHFQDXSNFOE-VIFPVBQESA-N 0 1 292.285 3.553 20 0 CHADMN Cc1c(CN2Cc3ccccc3[C@H](C)C2)ccnc1F ZINC000862212563 1123791877 /nfs/dbraw/zinc/79/18/77/1123791877.db2.gz IQSVJOKQIJCURT-GFCCVEGCSA-N 0 1 270.351 3.648 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2ccnc(Cl)c2)cc1 ZINC000195408531 1129145718 /nfs/dbraw/zinc/14/57/18/1129145718.db2.gz NLYCEXXZLCSJTI-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN COc1ccc([C@H](C)NCc2ccnc(F)c2C)cc1F ZINC000862264246 1123796258 /nfs/dbraw/zinc/79/62/58/1123796258.db2.gz JWYCNZXZEWFYAR-NSHDSACASA-N 0 1 292.329 3.528 20 0 CHADMN Cc1c(F)nccc1CNCc1ccccc1C(F)(F)F ZINC000862274452 1123797391 /nfs/dbraw/zinc/79/73/91/1123797391.db2.gz NZYXADNELWWNSL-UHFFFAOYSA-N 0 1 298.283 3.838 20 0 CHADMN Cc1c(CN2CC[C@@H](C(F)(F)F)C2(C)C)ccnc1F ZINC000862338182 1123799888 /nfs/dbraw/zinc/79/98/88/1123799888.db2.gz MEZSMCNCLBDCQN-LLVKDONJSA-N 0 1 290.304 3.692 20 0 CHADMN OC1(C2CCC2)CCN(Cc2cc(Cl)cs2)CC1 ZINC000897037192 1123801274 /nfs/dbraw/zinc/80/12/74/1123801274.db2.gz UQQIYSFKXPHKTL-UHFFFAOYSA-N 0 1 285.840 3.529 20 0 CHADMN c1cnc2c(c1)CCC[C@H]2NCc1cccc2c1NCCC2 ZINC000897071026 1123809520 /nfs/dbraw/zinc/80/95/20/1123809520.db2.gz SWKAWBYQUZWLHI-QGZVFWFLSA-N 0 1 293.414 3.607 20 0 CHADMN CC(C)Cc1ccc(CN[C@@H]2CCCc3cccnc32)cn1 ZINC000897071185 1123810278 /nfs/dbraw/zinc/81/02/78/1123810278.db2.gz YIUPLPODTBDOSD-GOSISDBHSA-N 0 1 295.430 3.842 20 0 CHADMN C[C@@H](N[C@H](C)c1ccncn1)c1ccc(Cl)cc1 ZINC000395993740 1123812354 /nfs/dbraw/zinc/81/23/54/1123812354.db2.gz VOKLCDNDGUYGSD-GHMZBOCLSA-N 0 1 261.756 3.542 20 0 CHADMN Cc1cc(C)c(CN(C)[C@H](C)c2cccnc2)c(C)n1 ZINC000639550805 1123813236 /nfs/dbraw/zinc/81/32/36/1123813236.db2.gz AUOWEBMZFKGMGX-OAHLLOKOSA-N 0 1 269.392 3.595 20 0 CHADMN CCC(F)(F)C(C)(C)CNCc1c(F)ccc(O)c1F ZINC000862498350 1123815492 /nfs/dbraw/zinc/81/54/92/1123815492.db2.gz FGPKNGSXJRNZRK-UHFFFAOYSA-N 0 1 293.304 3.832 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1ccncn1)c1ccc(F)cc1 ZINC000396064728 1123816568 /nfs/dbraw/zinc/81/65/68/1123816568.db2.gz YRPSANNGYOBIAM-BLLLJJGKSA-N 0 1 273.355 3.664 20 0 CHADMN Cc1cc(CN[C@H](C)c2csc3ccccc32)ncn1 ZINC000794487974 1123847574 /nfs/dbraw/zinc/84/75/74/1123847574.db2.gz ODHQYRNXSXDHLO-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN C[C@@H](C[N@@H+](C)Cn1cccnc1=S)C1CCCCC1 ZINC000863315505 1123860412 /nfs/dbraw/zinc/86/04/12/1123860412.db2.gz ZTBJUEQKPOGAJL-ZDUSSCGKSA-N 0 1 279.453 3.718 20 0 CHADMN C[C@@H](CN(C)Cn1cccnc1=S)C1CCCCC1 ZINC000863315505 1123860416 /nfs/dbraw/zinc/86/04/16/1123860416.db2.gz ZTBJUEQKPOGAJL-ZDUSSCGKSA-N 0 1 279.453 3.718 20 0 CHADMN Cc1cncc(CN2CCCC[C@H]2c2ccccc2)n1 ZINC001203162162 1123862734 /nfs/dbraw/zinc/86/27/34/1123862734.db2.gz SKIQEKVWNWCTSD-KRWDZBQOSA-N 0 1 267.376 3.512 20 0 CHADMN O=C1CC2(CCCC2)CN1CN1CCC[C@H]1c1ccccc1 ZINC000083116049 1129150308 /nfs/dbraw/zinc/15/03/08/1129150308.db2.gz HXHPFJLHXVMUKV-KRWDZBQOSA-N 0 1 298.430 3.574 20 0 CHADMN CC1(C)CC[C@@H](Nc2ncnc3[nH]cnc32)c2ccccc21 ZINC000301073265 1123871400 /nfs/dbraw/zinc/87/14/00/1123871400.db2.gz FYSKUSFFNVKYDQ-CYBMUJFWSA-N 0 1 293.374 3.578 20 0 CHADMN CCc1oc2ccccc2c1Cc1nc([C@@H](N)C(C)C)no1 ZINC000863657031 1123885442 /nfs/dbraw/zinc/88/54/42/1123885442.db2.gz QAGNIHFIXPFZRS-INIZCTEOSA-N 0 1 299.374 3.625 20 0 CHADMN CC[C@@H](C)[C@@](C)(O)CNc1ccnc2cc(F)ccc21 ZINC000301256895 1123885538 /nfs/dbraw/zinc/88/55/38/1123885538.db2.gz KOHKIJQYNGNHGV-BZNIZROVSA-N 0 1 276.355 3.583 20 0 CHADMN Cc1cccnc1CNc1ccnc2cc(F)ccc21 ZINC000301290350 1123888245 /nfs/dbraw/zinc/88/82/45/1123888245.db2.gz SWZRCVCRPQLNFY-UHFFFAOYSA-N 0 1 267.307 3.689 20 0 CHADMN CCN[C@H](C)c1nc(-c2cccc(C(C)(F)F)c2)no1 ZINC000863678609 1123888829 /nfs/dbraw/zinc/88/88/29/1123888829.db2.gz ZGYULJXMYGGOJP-SECBINFHSA-N 0 1 281.306 3.519 20 0 CHADMN O[C@H](CNc1ccnc2cc(F)ccc21)c1ccsc1 ZINC000301390493 1123897180 /nfs/dbraw/zinc/89/71/80/1123897180.db2.gz ZEQXLOZECNHHHQ-OAHLLOKOSA-N 0 1 288.347 3.581 20 0 CHADMN CC(C)C[C@H](CCO)CNc1ccnc2cc(F)ccc21 ZINC000301422375 1123899983 /nfs/dbraw/zinc/89/99/83/1123899983.db2.gz JBWZRQZUPBXCPD-ZDUSSCGKSA-N 0 1 290.382 3.831 20 0 CHADMN CCN(Cc1ccccc1)Cc1cncc(Cl)c1 ZINC000621243405 1129152585 /nfs/dbraw/zinc/15/25/85/1129152585.db2.gz ZQSKCAZSYVKXIS-UHFFFAOYSA-N 0 1 260.768 3.757 20 0 CHADMN COC(C)(C)C[C@@H](C)Nc1ccnc2cc(F)ccc21 ZINC000301480258 1123904030 /nfs/dbraw/zinc/90/40/30/1123904030.db2.gz YIOXMMWEALCMJT-LLVKDONJSA-N 0 1 276.355 3.989 20 0 CHADMN Fc1ccc2c(c1)nccc2NC(C1CC1)C1CC1 ZINC000301521079 1123908534 /nfs/dbraw/zinc/90/85/34/1123908534.db2.gz LHVMHQFAEAPCIK-UHFFFAOYSA-N 0 1 256.324 3.974 20 0 CHADMN COc1ccc(CNc2ccc3c[nH]nc3c2)c(C)c1OC ZINC000864043163 1123913009 /nfs/dbraw/zinc/91/30/09/1123913009.db2.gz KAPNXUVBICZGPK-UHFFFAOYSA-N 0 1 297.358 3.501 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N(C)CCOC(C)(C)C ZINC000621281472 1129158354 /nfs/dbraw/zinc/15/83/54/1129158354.db2.gz QMRQFAMVIAYOLO-NSHDSACASA-N 0 1 271.351 3.773 20 0 CHADMN Cc1ccnc(NCC(C)(C)c2ccc3c(c2)OCO3)c1 ZINC000301617302 1123918001 /nfs/dbraw/zinc/91/80/01/1123918001.db2.gz CJSIMOWQZVETQH-UHFFFAOYSA-N 0 1 284.359 3.508 20 0 CHADMN Cc1ccc(Cc2nc(=O)c3c(C)sc(C)c3[nH]2)s1 ZINC000864355632 1123924679 /nfs/dbraw/zinc/92/46/79/1123924679.db2.gz NVJHUQPQLAQLSJ-UHFFFAOYSA-N 0 1 290.413 3.974 20 0 CHADMN COc1ccccc1C(C)(C)NCc1cncc(Cl)c1 ZINC000621266421 1129154729 /nfs/dbraw/zinc/15/47/29/1129154729.db2.gz KXVSVNIESBXQOX-UHFFFAOYSA-N 0 1 290.794 3.769 20 0 CHADMN CC[C@H](CSC)Nc1ccnc2cc(F)ccc21 ZINC000301974502 1123948266 /nfs/dbraw/zinc/94/82/66/1123948266.db2.gz AVTNIPMTZANDRE-LLVKDONJSA-N 0 1 264.369 3.927 20 0 CHADMN Cc1cc(NCC2(O)CCCCC2)c2cc(F)ccc2n1 ZINC000301992698 1123948797 /nfs/dbraw/zinc/94/87/97/1123948797.db2.gz QQGWHVPYCJUDKM-UHFFFAOYSA-N 0 1 288.366 3.789 20 0 CHADMN OCc1ccc(CCNc2ccnc3cc(F)ccc32)cc1 ZINC000302015222 1123949944 /nfs/dbraw/zinc/94/99/44/1123949944.db2.gz LLYXIUAGYZHXTB-UHFFFAOYSA-N 0 1 296.345 3.521 20 0 CHADMN Cc1cc2ccccc2c(NC[C@H]2CCCCO2)n1 ZINC000302079860 1123953858 /nfs/dbraw/zinc/95/38/58/1123953858.db2.gz XJJZCOATRWIDNI-CQSZACIVSA-N 0 1 256.349 3.524 20 0 CHADMN CCc1cc(CN[C@H](c2cc(F)ccc2F)C(C)C)[nH]n1 ZINC000794807838 1123956351 /nfs/dbraw/zinc/95/63/51/1123956351.db2.gz MABMJEYDIUFDDD-INIZCTEOSA-N 0 1 293.361 3.737 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1NCc1cccnc1F ZINC000794826732 1123962389 /nfs/dbraw/zinc/96/23/89/1123962389.db2.gz DVAYCOAULLKKCN-WBMJQRKESA-N 0 1 270.351 3.634 20 0 CHADMN Cc1cccc(NCCCCOc2ccc(F)cc2)n1 ZINC000302238219 1123964055 /nfs/dbraw/zinc/96/40/55/1123964055.db2.gz LEVTYHLGFPFAEK-UHFFFAOYSA-N 0 1 274.339 3.800 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCOCC(C)C)n2)o1 ZINC000865351129 1123972937 /nfs/dbraw/zinc/97/29/37/1123972937.db2.gz XEWRCFPLVQXJGR-VOTSOKGWSA-N 0 1 293.392 3.599 20 0 CHADMN CC(C)(C)Oc1cccc(CNCc2cccnc2)c1 ZINC000865398986 1123980396 /nfs/dbraw/zinc/98/03/96/1123980396.db2.gz FTZKIYIEWKFHRN-UHFFFAOYSA-N 0 1 270.376 3.549 20 0 CHADMN CCc1ccc(CNCc2cnc(Cl)c(F)c2)s1 ZINC000865414060 1123982385 /nfs/dbraw/zinc/98/23/85/1123982385.db2.gz IBTPJMOITRWFQM-UHFFFAOYSA-N 0 1 284.787 3.788 20 0 CHADMN Cc1cccc(CNCc2cccc(OC(C)(C)C)c2)n1 ZINC000865421191 1123983081 /nfs/dbraw/zinc/98/30/81/1123983081.db2.gz ZHKWHHAESYJPCU-UHFFFAOYSA-N 0 1 284.403 3.857 20 0 CHADMN CCc1ccc([C@H](C)NCc2cccnc2F)cc1 ZINC000794838004 1123985014 /nfs/dbraw/zinc/98/50/14/1123985014.db2.gz WRWLMMCTTMGWTK-LBPRGKRZSA-N 0 1 258.340 3.634 20 0 CHADMN CCc1ccc([C@H](C)NCc2cccnc2F)s1 ZINC000794838373 1123985146 /nfs/dbraw/zinc/98/51/46/1123985146.db2.gz YMLDRXQPVXNYJK-JTQLQIEISA-N 0 1 264.369 3.695 20 0 CHADMN Cc1nn(C)cc1[C@H](C)NCc1cccc(Cl)c1C ZINC000865449082 1123985362 /nfs/dbraw/zinc/98/53/62/1123985362.db2.gz PJHSXHKGISXNBJ-NSHDSACASA-N 0 1 277.799 3.541 20 0 CHADMN Cc1cccc2c1CC[C@H]2NCc1cc2c(cc[nH]c2=O)o1 ZINC000865452052 1123986180 /nfs/dbraw/zinc/98/61/80/1123986180.db2.gz BUEXNSUHZWSXSE-MRXNPFEDSA-N 0 1 294.354 3.619 20 0 CHADMN CC(C)c1nc(N2CCc3cnccc32)cc(C(C)(C)C)n1 ZINC000302900578 1123989331 /nfs/dbraw/zinc/98/93/31/1123989331.db2.gz QKUSRNWNTVRNDJ-UHFFFAOYSA-N 0 1 296.418 3.987 20 0 CHADMN CN(Cc1cc[nH]n1)CC(c1ccccc1)c1ccccc1 ZINC000508484757 1123989371 /nfs/dbraw/zinc/98/93/71/1123989371.db2.gz AZCKWWYXIBWIQN-UHFFFAOYSA-N 0 1 291.398 3.674 20 0 CHADMN CCc1nc([C@H](C)NCc2cccc(CC3CCC3)c2)n[nH]1 ZINC000865512372 1123991877 /nfs/dbraw/zinc/99/18/77/1123991877.db2.gz BHKXOBLLGINZGI-ZDUSSCGKSA-N 0 1 298.434 3.561 20 0 CHADMN FC(F)(F)c1cnccc1N1CC[C@@H](c2ccco2)C1 ZINC000865533035 1123993119 /nfs/dbraw/zinc/99/31/19/1123993119.db2.gz VAUQLULIRPIUNK-SNVBAGLBSA-N 0 1 282.265 3.687 20 0 CHADMN CCN1CCC[C@H](Oc2c(C)cccc2Br)C1 ZINC001227808706 1123998532 /nfs/dbraw/zinc/99/85/32/1123998532.db2.gz RCORULXARDSCSV-LBPRGKRZSA-N 0 1 298.224 3.621 20 0 CHADMN Fc1ccc(CNc2nccn2C2CC2)c(C(F)(F)F)c1 ZINC000840887609 1123999242 /nfs/dbraw/zinc/99/92/42/1123999242.db2.gz PSDOOYSTJHZSKS-UHFFFAOYSA-N 0 1 299.271 3.988 20 0 CHADMN Cc1cc([C@H](C)NCc2n[nH]c(C(C)C)n2)cc(C)c1F ZINC000428355093 1123999700 /nfs/dbraw/zinc/99/97/00/1123999700.db2.gz NQSYJAATXDAYLB-LBPRGKRZSA-N 0 1 290.386 3.535 20 0 CHADMN Cc1nc2ccc(CNc3nccn3C3CC3)cc2s1 ZINC000840887005 1124002377 /nfs/dbraw/zinc/00/23/77/1124002377.db2.gz RFSHYGFEUSBAJD-UHFFFAOYSA-N 0 1 284.388 3.748 20 0 CHADMN Cc1csc(CN[C@H]2C[C@H](Sc3ccccc3)C2)n1 ZINC000865734494 1124009127 /nfs/dbraw/zinc/00/91/27/1124009127.db2.gz BBPOJIBYFLGDEW-MQMHXKEQSA-N 0 1 290.457 3.864 20 0 CHADMN CCC(CC)(CNCc1cn(C2CC2)cn1)C(F)(F)F ZINC000865756443 1124010657 /nfs/dbraw/zinc/01/06/57/1124010657.db2.gz OCSUDSYEUUPCAP-UHFFFAOYSA-N 0 1 289.345 3.676 20 0 CHADMN C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)Cc1ccco1 ZINC000487499442 1124014913 /nfs/dbraw/zinc/01/49/13/1124014913.db2.gz LSMQAMNGWARQGH-CYBMUJFWSA-N 0 1 255.361 3.961 20 0 CHADMN CC(C)(C)c1ccc(CNCc2cccc3n[nH]cc32)o1 ZINC000865815244 1124016681 /nfs/dbraw/zinc/01/66/81/1124016681.db2.gz SZKCJTRXIUUUPR-UHFFFAOYSA-N 0 1 283.375 3.743 20 0 CHADMN COc1ccccc1[C@H](C)NCc1cnc(Cl)c(C)c1 ZINC000865821598 1124017456 /nfs/dbraw/zinc/01/74/56/1124017456.db2.gz JHZBROXYBHJIEH-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN COc1ccccc1[C@H](C)NCc1cnc(C2CC2)s1 ZINC000865821928 1124018164 /nfs/dbraw/zinc/01/81/64/1124018164.db2.gz SXNLHECKQJKSKH-NSHDSACASA-N 0 1 288.416 3.880 20 0 CHADMN CC(C)Cn1nccc1CN[C@@H](C)c1cc2cnccc2o1 ZINC000865854587 1124021301 /nfs/dbraw/zinc/02/13/01/1124021301.db2.gz QRDVMIFDSZTTMZ-ZDUSSCGKSA-N 0 1 298.390 3.531 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2cc3cnccc3o2)s1 ZINC000865855062 1124021391 /nfs/dbraw/zinc/02/13/91/1124021391.db2.gz UNBKRFPBGASYJP-JTQLQIEISA-N 0 1 287.388 3.698 20 0 CHADMN CCC(C)=C(C)C(=O)N[C@H](CC)c1nc2ccccc2[nH]1 ZINC000779905760 1129161190 /nfs/dbraw/zinc/16/11/90/1129161190.db2.gz NRQJXCMGWHJCNF-YLGBQOPLSA-N 0 1 285.391 3.877 20 0 CHADMN CC(C)(C)Oc1cccc(CN[C@H]2CCCn3nccc32)c1 ZINC000865870940 1124023515 /nfs/dbraw/zinc/02/35/15/1124023515.db2.gz AJYKSFZCWOYUTJ-INIZCTEOSA-N 0 1 299.418 3.685 20 0 CHADMN C[C@@H]1CCc2c(F)cccc2[C@H]1N[C@@H]1CCCn2ccnc21 ZINC000655720752 1124026771 /nfs/dbraw/zinc/02/67/71/1124026771.db2.gz FQMLPBMBSACVDR-JLZZUVOBSA-N 0 1 299.393 3.770 20 0 CHADMN COc1ccc(CC[C@@H](C)N[C@@H](C)C(C)(F)F)cc1 ZINC000389461634 1124029200 /nfs/dbraw/zinc/02/92/00/1124029200.db2.gz DJTHNYXPYHSGQR-NEPJUHHUSA-N 0 1 271.351 3.650 20 0 CHADMN CCC1(CC)[C@H](NCc2ncc(C(C)C)o2)[C@H](C)[C@H]1OC ZINC000759612104 1124029207 /nfs/dbraw/zinc/02/92/07/1124029207.db2.gz LMTSESBGHXLTHU-APHBMKBZSA-N 0 1 294.439 3.727 20 0 CHADMN CC(C)(NCc1cncc(Cl)c1)c1ccccc1F ZINC000621297584 1129161871 /nfs/dbraw/zinc/16/18/71/1129161871.db2.gz UBQPXYJOIVSBOS-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN C[C@H]1CCc2ccc(F)cc2[C@@H]1NCc1ccoc1 ZINC000866240339 1124040315 /nfs/dbraw/zinc/04/03/15/1124040315.db2.gz BTULYZMBYQIENQ-MEDUHNTESA-N 0 1 259.324 3.832 20 0 CHADMN CCc1cc(CN[C@@H]2c3cc(F)ccc3CC[C@@H]2C)on1 ZINC000866271471 1124045782 /nfs/dbraw/zinc/04/57/82/1124045782.db2.gz LTOZKUQULGGOOI-GTNSWQLSSA-N 0 1 288.366 3.789 20 0 CHADMN CCc1cc(CN[C@H]2c3cc(F)ccc3CC[C@H]2C)on1 ZINC000866271472 1124045887 /nfs/dbraw/zinc/04/58/87/1124045887.db2.gz LTOZKUQULGGOOI-PIGZYNQJSA-N 0 1 288.366 3.789 20 0 CHADMN C[C@@H]1CCc2ccc(F)cc2[C@@H]1NCc1ccc(F)cn1 ZINC000866286907 1124047172 /nfs/dbraw/zinc/04/71/72/1124047172.db2.gz GAHCOXJXNHFBKS-PIGZYNQJSA-N 0 1 288.341 3.773 20 0 CHADMN CC[C@H]1CCCC[C@@H]1N(C)Cc1nc(CC(C)C)no1 ZINC000444664968 1124050426 /nfs/dbraw/zinc/05/04/26/1124050426.db2.gz SJLGZSFYETXQEG-KBPBESRZSA-N 0 1 279.428 3.669 20 0 CHADMN CN(CCC(=O)c1ccccc1)Cc1cc(F)cc(F)c1 ZINC000444687274 1124053000 /nfs/dbraw/zinc/05/30/00/1124053000.db2.gz AJSOIKZZBXVWLJ-UHFFFAOYSA-N 0 1 289.325 3.670 20 0 CHADMN COCc1cccc(CN(C)Cc2cc(F)cc(F)c2)c1 ZINC000444692425 1124054670 /nfs/dbraw/zinc/05/46/70/1124054670.db2.gz MDVQAVKOCAWKTD-UHFFFAOYSA-N 0 1 291.341 3.743 20 0 CHADMN OC[C@@H](N[C@@H]1CCCc2c(F)cccc21)c1ccsc1 ZINC000866342534 1124054781 /nfs/dbraw/zinc/05/47/81/1124054781.db2.gz WPCHAXVAVGKCKA-HZPDHXFCSA-N 0 1 291.391 3.588 20 0 CHADMN C[C@H]1C[C@@H](N[C@H]2c3cc(F)ccc3CC[C@H]2C)c2nccn21 ZINC000866367763 1124058556 /nfs/dbraw/zinc/05/85/56/1124058556.db2.gz OPXIHFKFIYHNBX-CZAMWMTLSA-N 0 1 299.393 3.941 20 0 CHADMN C[C@H](N[C@H]1CCc2cccc3cccc1c32)c1ccn(C)n1 ZINC000866372514 1124059202 /nfs/dbraw/zinc/05/92/02/1124059202.db2.gz HSZMQPAVHSIEOW-UGSOOPFHSA-N 0 1 291.398 3.911 20 0 CHADMN C[C@H](CN[C@@H]1c2ccccc2OC[C@@H]1F)CC(F)(F)F ZINC000866374673 1124059488 /nfs/dbraw/zinc/05/94/88/1124059488.db2.gz FTYPETBHQAXUNL-XHVZSJERSA-N 0 1 291.288 3.636 20 0 CHADMN CCc1ncc(CN[C@H]2c3cc(F)ccc3CC[C@@H]2C)o1 ZINC000866371044 1124059664 /nfs/dbraw/zinc/05/96/64/1124059664.db2.gz HHSONCBFULFATH-APPDUMDISA-N 0 1 288.366 3.789 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN1CCC[C@H](C(C)C)C1 ZINC000444751044 1124060124 /nfs/dbraw/zinc/06/01/24/1124060124.db2.gz BEHJVSRSNMAQCI-INIZCTEOSA-N 0 1 288.435 3.610 20 0 CHADMN CSCC1(CCN[C@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866387216 1124060733 /nfs/dbraw/zinc/06/07/33/1124060733.db2.gz QEMRBTMKERTUBQ-ZFWWWQNUSA-N 0 1 295.423 3.581 20 0 CHADMN CSCC1(CCN[C@@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866387213 1124061501 /nfs/dbraw/zinc/06/15/01/1124061501.db2.gz QEMRBTMKERTUBQ-DZGCQCFKSA-N 0 1 295.423 3.581 20 0 CHADMN CC(C)[C@@H]1CN(Cc2ccc(F)c(F)c2)CCS1 ZINC000353930116 1124061514 /nfs/dbraw/zinc/06/15/14/1124061514.db2.gz FMHGYFXQOGGDBM-AWEZNQCLSA-N 0 1 271.376 3.538 20 0 CHADMN Cc1ccc(-c2cc(C(=O)Nc3cccc(C)c3)[nH]n2)o1 ZINC000195601671 1124066292 /nfs/dbraw/zinc/06/62/92/1124066292.db2.gz BKDSHXLUFRDGHG-UHFFFAOYSA-N 0 1 281.315 3.539 20 0 CHADMN CCC[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccccn1 ZINC000866450290 1124067254 /nfs/dbraw/zinc/06/72/54/1124067254.db2.gz RQALRXRIRKUIEA-GUTXKFCHSA-N 0 1 250.361 3.793 20 0 CHADMN CC1(C)Cc2occc2[C@@H](NCc2ccnc(F)c2)C1 ZINC000866472967 1124069177 /nfs/dbraw/zinc/06/91/77/1124069177.db2.gz HVNAMLBVCXDOCW-ZDUSSCGKSA-N 0 1 274.339 3.617 20 0 CHADMN CCCc1nc(C)c(CN(CCC)C[C@@H]2CCCCO2)o1 ZINC000428385084 1124071450 /nfs/dbraw/zinc/07/14/50/1124071450.db2.gz DRLPLJAVQREMAY-HNNXBMFYSA-N 0 1 294.439 3.717 20 0 CHADMN Fc1cc(N[C@@H]2CCCc3[nH]ncc32)cc(OC(F)F)c1 ZINC000866497637 1124072528 /nfs/dbraw/zinc/07/25/28/1124072528.db2.gz OCEQEYDHBMUFMJ-GFCCVEGCSA-N 0 1 297.280 3.640 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H](c2ccccc2)C2CCC2)cn1 ZINC000428389680 1124073456 /nfs/dbraw/zinc/07/34/56/1124073456.db2.gz MNFDYQNCLWFWRT-KSSFIOAISA-N 0 1 281.403 3.977 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H](C)S1 ZINC000525272624 1124119008 /nfs/dbraw/zinc/11/90/08/1124119008.db2.gz DHTIDNBFCNAXDF-PHIMTYICSA-N 0 1 255.814 3.666 20 0 CHADMN Cc1ccc(CN[C@@H](c2cccnc2)C2CCC2)o1 ZINC000631729777 1124080112 /nfs/dbraw/zinc/08/01/12/1124080112.db2.gz JKNPMXWAJLFWJU-MRXNPFEDSA-N 0 1 256.349 3.614 20 0 CHADMN COCCN(Cc1ccccc1OC)[C@@H](C)c1ccccc1 ZINC000508526277 1124080231 /nfs/dbraw/zinc/08/02/31/1124080231.db2.gz BUKWHKOPDUPAPI-INIZCTEOSA-N 0 1 299.414 3.905 20 0 CHADMN CCCc1ccc(CN[C@H]2CCCc3c[nH]nc32)s1 ZINC000621341277 1129165328 /nfs/dbraw/zinc/16/53/28/1129165328.db2.gz GXFRRFOFOCEMLS-AWEZNQCLSA-N 0 1 275.421 3.591 20 0 CHADMN CC[C@H](N[C@H](C)c1ccnn1C)c1cc(C)ccc1OC ZINC000866614618 1124089256 /nfs/dbraw/zinc/08/92/56/1124089256.db2.gz OLRJXMFXMSWRCD-HIFRSBDPSA-N 0 1 287.407 3.539 20 0 CHADMN C[C@@H](C1CCC1)N(C)Cc1ccn(-c2ccccc2F)n1 ZINC000445814186 1124102029 /nfs/dbraw/zinc/10/20/29/1124102029.db2.gz SIPIZZCJSJJDPA-ZDUSSCGKSA-N 0 1 287.382 3.632 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC3(CCC3)C2)c1 ZINC000445817766 1124102882 /nfs/dbraw/zinc/10/28/82/1124102882.db2.gz HAWOEJHVCVEDAS-UHFFFAOYSA-N 0 1 253.748 3.855 20 0 CHADMN COc1cc2[nH]c(-c3csc(C4CC4)n3)nc2cc1C ZINC000446147513 1124110267 /nfs/dbraw/zinc/11/02/67/1124110267.db2.gz POTCJNOROMKNDR-UHFFFAOYSA-N 0 1 285.372 3.881 20 0 CHADMN Cc1nccnc1CN[C@H]1CC(C)(C)CCc2ccccc21 ZINC000621351102 1129166853 /nfs/dbraw/zinc/16/68/53/1129166853.db2.gz FFFUCZGNVCFCRB-KRWDZBQOSA-N 0 1 295.430 3.978 20 0 CHADMN COc1ccc(F)c(C[N@H+]2CCCCC[C@H]2C)c1 ZINC000508560421 1124112217 /nfs/dbraw/zinc/11/22/17/1124112217.db2.gz JZMZICFZYKKJHD-GFCCVEGCSA-N 0 1 251.345 3.599 20 0 CHADMN CCCCN(Cc1ccn(C)n1)[C@H](C)c1ccccc1 ZINC000508565372 1124113791 /nfs/dbraw/zinc/11/37/91/1124113791.db2.gz SASLONVOHNOCLX-OAHLLOKOSA-N 0 1 271.408 3.783 20 0 CHADMN CC[C@H](C)N(Cc1n[nH]c(C(C)C)n1)Cc1ccccc1 ZINC000428446253 1124114857 /nfs/dbraw/zinc/11/48/57/1124114857.db2.gz IQULFIPCZPOLAX-AWEZNQCLSA-N 0 1 286.423 3.729 20 0 CHADMN CC(C)(C)OCCCCSCc1n[nH]c(C2CC2)n1 ZINC000446702223 1124119417 /nfs/dbraw/zinc/11/94/17/1124119417.db2.gz QMXLOIOUWPCAGA-UHFFFAOYSA-N 0 1 283.441 3.511 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)CN1CC[C@H](C(C)C)C1 ZINC000446723868 1124120182 /nfs/dbraw/zinc/12/01/82/1124120182.db2.gz WYSIZYNGANXWQV-ZDUSSCGKSA-N 0 1 294.826 3.565 20 0 CHADMN Cc1cccc(C)c1[C@H](C)N[C@@H](C)c1nccnc1C ZINC000446883931 1124128022 /nfs/dbraw/zinc/12/80/22/1124128022.db2.gz MQIDQIHZHJERBW-ZFWWWQNUSA-N 0 1 269.392 3.814 20 0 CHADMN CCC1(c2ccccc2)CN(Cc2ccc(C)nc2)C1 ZINC000459759330 1124128552 /nfs/dbraw/zinc/12/85/52/1124128552.db2.gz PVFNOLWEEISUTM-UHFFFAOYSA-N 0 1 266.388 3.554 20 0 CHADMN CC(C)(C)[C@H]1CCC[C@H]([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086962505 1129170158 /nfs/dbraw/zinc/17/01/58/1129170158.db2.gz QKCMTSSXFVXZLC-MELADBBJSA-N 0 1 267.413 3.530 20 0 CHADMN CC(C)CN(Cc1cncn1C)Cc1cccc(Cl)c1 ZINC000621387722 1129171538 /nfs/dbraw/zinc/17/15/38/1129171538.db2.gz JXAYUHCEEKKGIB-UHFFFAOYSA-N 0 1 291.826 3.732 20 0 CHADMN FC(F)[C@H](NCCC1CCOCC1)C1CCCCC1 ZINC000621400467 1129172798 /nfs/dbraw/zinc/17/27/98/1129172798.db2.gz IKILESOOEGWRRW-CQSZACIVSA-N 0 1 275.383 3.607 20 0 CHADMN FC(F)[C@H](NCC[C@@H]1CCCCO1)C1CCCCC1 ZINC000621400719 1129172883 /nfs/dbraw/zinc/17/28/83/1129172883.db2.gz PYANPKDKIQLYQE-UONOGXRCSA-N 0 1 275.383 3.749 20 0 CHADMN FCCCCCN[C@@H](C(F)F)C1CCCCC1 ZINC000621402275 1129173655 /nfs/dbraw/zinc/17/36/55/1129173655.db2.gz YTJCHEYSHLGRJC-GFCCVEGCSA-N 0 1 251.336 3.930 20 0 CHADMN CC[C@H](NCc1snnc1C)c1ccc(Cl)cc1 ZINC000293657297 1129177926 /nfs/dbraw/zinc/17/79/26/1129177926.db2.gz LRJDTYSCZXCQGU-LBPRGKRZSA-N 0 1 281.812 3.741 20 0 CHADMN OC1(CNc2ccc(N3CCCCCC3)cc2)CCCC1 ZINC000819394556 1131244329 /nfs/dbraw/zinc/24/43/29/1131244329.db2.gz ACKLCZQODYAZSZ-UHFFFAOYSA-N 0 1 288.435 3.784 20 0 CHADMN c1ccc(COc2ncccc2CN2CCC[C@H]3C[C@H]32)cc1 ZINC001238775342 1131244476 /nfs/dbraw/zinc/24/44/76/1131244476.db2.gz AFHOWDVIDBRPIL-FUHWJXTLSA-N 0 1 294.398 3.645 20 0 CHADMN Cc1cc(F)cc(CN2CC[C@@](C)(CF)C2)c1Cl ZINC001238775654 1131244613 /nfs/dbraw/zinc/24/46/13/1131244613.db2.gz CKTNCIJJVUOFRK-AWEZNQCLSA-N 0 1 273.754 3.969 20 0 CHADMN Cc1cc(F)cc(CN2CC(C)(C)C[C@]2(C)CO)c1Cl ZINC001238776081 1131244863 /nfs/dbraw/zinc/24/48/63/1131244863.db2.gz FTVWGZHACRSCFN-MRXNPFEDSA-N 0 1 299.817 3.770 20 0 CHADMN Cc1cc(F)cc(Cl)c1C[N@H+]1CCCC[C@@](C)(O)C1 ZINC001238781776 1131246692 /nfs/dbraw/zinc/24/66/92/1131246692.db2.gz URLWWTKSBPDFCL-OAHLLOKOSA-N 0 1 285.790 3.524 20 0 CHADMN Cc1cc(F)cc(C[N@H+]2CCC[C@@]23CCOC3)c1Cl ZINC001238781139 1131246795 /nfs/dbraw/zinc/24/67/95/1131246795.db2.gz KYJJYLIPHQPYHO-HNNXBMFYSA-N 0 1 283.774 3.542 20 0 CHADMN Cc1cc(F)cc(CN2CCC[C@@]23CCOC3)c1Cl ZINC001238781139 1131246800 /nfs/dbraw/zinc/24/68/00/1131246800.db2.gz KYJJYLIPHQPYHO-HNNXBMFYSA-N 0 1 283.774 3.542 20 0 CHADMN CSCCN(C)Cc1c(C)cc(F)cc1Cl ZINC001238789379 1131248888 /nfs/dbraw/zinc/24/88/88/1131248888.db2.gz VMXUIHLASSGVFR-UHFFFAOYSA-N 0 1 261.793 3.582 20 0 CHADMN CC(C)Oc1cc(CN2CCC[C@](C)(F)CC2)c(F)cn1 ZINC001238793838 1131249140 /nfs/dbraw/zinc/24/91/40/1131249140.db2.gz JFPBPWHMQAQLLV-INIZCTEOSA-N 0 1 298.377 3.722 20 0 CHADMN CC(C)Oc1cc(CN2CCC23CCCCC3)c(F)cn1 ZINC001238797152 1131249178 /nfs/dbraw/zinc/24/91/78/1131249178.db2.gz NVNUDNPQGQDFQF-UHFFFAOYSA-N 0 1 292.398 3.917 20 0 CHADMN CC(C)Oc1cc(CN2[C@H](C)CCC[C@@H]2C)c(F)cn1 ZINC001238794298 1131249451 /nfs/dbraw/zinc/24/94/51/1131249451.db2.gz OYMYSWGXFOQOMS-BETUJISGSA-N 0 1 280.387 3.771 20 0 CHADMN COc1cc(F)c(CN2C[C@H](C)C[C@@H](C)C2)cc1Cl ZINC001238794977 1131249785 /nfs/dbraw/zinc/24/97/85/1131249785.db2.gz RIPZTDWSRTVDTG-GHMZBOCLSA-N 0 1 285.790 3.966 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1NC[C@H](O)C1CC1 ZINC000819483357 1131250432 /nfs/dbraw/zinc/25/04/32/1131250432.db2.gz VRKPSSNRDILJOW-SFHVURJKSA-N 0 1 288.435 3.558 20 0 CHADMN c1nc2c(ccnc2-c2ccnc(Oc3ccccc3)c2)[nH]1 ZINC001238830057 1131251919 /nfs/dbraw/zinc/25/19/19/1131251919.db2.gz RMJSDKRKMLTSOU-UHFFFAOYSA-N 0 1 288.310 3.812 20 0 CHADMN c1nc2cc[nH]c(-c3ccnc(Oc4ccccc4)c3)c-2n1 ZINC001238830057 1131251922 /nfs/dbraw/zinc/25/19/22/1131251922.db2.gz RMJSDKRKMLTSOU-UHFFFAOYSA-N 0 1 288.310 3.812 20 0 CHADMN CC(C)(C)c1cc(=O)n(-c2cc(Cl)ccc2F)[nH]1 ZINC001245930176 1131252892 /nfs/dbraw/zinc/25/28/92/1131252892.db2.gz VSAYJOGOOYJHLF-UHFFFAOYSA-N 0 1 268.719 3.668 20 0 CHADMN F[C@H]1CCCN([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170931858 1131255815 /nfs/dbraw/zinc/25/58/15/1131255815.db2.gz BALBCMYLUUCSOY-QWHCGFSZSA-N 0 1 267.775 3.631 20 0 CHADMN F[C@H]1CCCN([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170931859 1131256506 /nfs/dbraw/zinc/25/65/06/1131256506.db2.gz BALBCMYLUUCSOY-STQMWFEESA-N 0 1 267.775 3.631 20 0 CHADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(-c2ccccc2)s1 ZINC001119535078 1131258103 /nfs/dbraw/zinc/25/81/03/1131258103.db2.gz QXSOKPXRDGGMSE-UHFFFAOYSA-N 0 1 289.400 3.712 20 0 CHADMN Cc1ccc(NC(=O)CN2C[C@@H](C)CCC[C@H]2C)c(F)c1 ZINC000525638156 1124451766 /nfs/dbraw/zinc/45/17/66/1124451766.db2.gz VDAZPCXBHWTPQP-UONOGXRCSA-N 0 1 292.398 3.583 20 0 CHADMN CC1(O)CCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000122061660 1124462372 /nfs/dbraw/zinc/46/23/72/1124462372.db2.gz JDWSPVKMZUVJAK-UHFFFAOYSA-N 0 1 295.835 3.902 20 0 CHADMN CCCc1nc(C)c(CN(CC)Cc2ccccc2)o1 ZINC000428480615 1124466843 /nfs/dbraw/zinc/46/68/43/1124466843.db2.gz CJTMGHDIRCOXSY-UHFFFAOYSA-N 0 1 272.392 3.958 20 0 CHADMN Cc1cc(C)cc([C@@H]2CCN([C@H](C)c3ncccn3)C2)c1 ZINC001119729641 1131262473 /nfs/dbraw/zinc/26/24/73/1131262473.db2.gz UOBCNCSKPWUUEJ-HZPDHXFCSA-N 0 1 281.403 3.644 20 0 CHADMN Cc1ccc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)c(Cl)n1 ZINC001142125015 1124482931 /nfs/dbraw/zinc/48/29/31/1124482931.db2.gz HMANGUQWIMCQOR-TXEJJXNPSA-N 0 1 286.753 3.521 20 0 CHADMN CC(C)C1(C)CCN(Cc2ccc([S@@](C)=O)cc2)CC1 ZINC000428488497 1124483156 /nfs/dbraw/zinc/48/31/56/1124483156.db2.gz TUWBRGMRKZCFEA-HXUWFJFHSA-N 0 1 293.476 3.682 20 0 CHADMN CCc1nc2c(s1)[C@H](N(C)CC1(F)CC1)CCC2 ZINC000525977734 1124483401 /nfs/dbraw/zinc/48/34/01/1124483401.db2.gz CWBLHDIFFHMMOD-LLVKDONJSA-N 0 1 268.401 3.517 20 0 CHADMN FC(F)c1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000525996582 1124488186 /nfs/dbraw/zinc/48/81/86/1124488186.db2.gz IEJZDDSPYJQGFI-CYBMUJFWSA-N 0 1 277.318 3.515 20 0 CHADMN Cc1ccc2c(C[N@@H+](C)Cc3ccsc3)cc(=O)oc2c1 ZINC000017307635 1124493884 /nfs/dbraw/zinc/49/38/84/1124493884.db2.gz XTJADJYDBOIQJH-UHFFFAOYSA-N 0 1 299.395 3.795 20 0 CHADMN Cc1ccc2c(CN(C)Cc3ccsc3)cc(=O)oc2c1 ZINC000017307635 1124493889 /nfs/dbraw/zinc/49/38/89/1124493889.db2.gz XTJADJYDBOIQJH-UHFFFAOYSA-N 0 1 299.395 3.795 20 0 CHADMN FC1(CN2CC=C(c3cccc(Cl)c3)CC2)CC1 ZINC000525998178 1124496075 /nfs/dbraw/zinc/49/60/75/1124496075.db2.gz QWKKUWDVFLQMCV-UHFFFAOYSA-N 0 1 265.759 3.931 20 0 CHADMN CC(C)N(Cc1cnc(C(F)(F)F)s1)C1CCC1 ZINC000447727248 1124511323 /nfs/dbraw/zinc/51/13/23/1124511323.db2.gz AYHCHQFRQAYPBS-UHFFFAOYSA-N 0 1 278.343 3.925 20 0 CHADMN CO[C@@H]1CCCN(CCCc2c(F)cccc2Cl)C1 ZINC000447738255 1124519074 /nfs/dbraw/zinc/51/90/74/1124519074.db2.gz DZUTWMMMZIGPCH-GFCCVEGCSA-N 0 1 285.790 3.523 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1cnc(C(F)(F)F)s1 ZINC000447739687 1124519218 /nfs/dbraw/zinc/51/92/18/1124519218.db2.gz FYVLBVNJVKGZGM-SNVBAGLBSA-N 0 1 278.343 3.782 20 0 CHADMN C[C@@H]1CN(CCCc2c(F)cccc2Cl)CCCO1 ZINC000447742674 1124520808 /nfs/dbraw/zinc/52/08/08/1124520808.db2.gz QQESEFVGVZALIU-GFCCVEGCSA-N 0 1 285.790 3.523 20 0 CHADMN Cc1cc(=O)[n-]c([C@H](C)[NH+]2CCC3(CCCCC3)CC2)n1 ZINC000447856271 1124538336 /nfs/dbraw/zinc/53/83/36/1124538336.db2.gz ZKOLJNBOPMSLPB-AWEZNQCLSA-N 0 1 289.423 3.598 20 0 CHADMN Cc1cccnc1CN[C@@H](C)c1ccc(F)cc1C ZINC001119963133 1131268645 /nfs/dbraw/zinc/26/86/45/1131268645.db2.gz DDROTSGWXGWWPA-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN CCC[C@H](O)CN(C)Cc1ccc(Cl)cc1Cl ZINC001252772282 1124572304 /nfs/dbraw/zinc/57/23/04/1124572304.db2.gz RIZZSUNFWIXZOE-LBPRGKRZSA-N 0 1 276.207 3.586 20 0 CHADMN Cc1cc(-c2ccc3cncn3c2)cnc1OCC(C)C ZINC001238923044 1131270186 /nfs/dbraw/zinc/27/01/86/1131270186.db2.gz ACFUMDFRTWPPQA-UHFFFAOYSA-N 0 1 281.359 3.740 20 0 CHADMN CC(C)n1ccc(CN2CC[C@H](CC(C)(C)C)C2)n1 ZINC000448554994 1124586394 /nfs/dbraw/zinc/58/63/94/1124586394.db2.gz PAAPAGALZKPADF-CQSZACIVSA-N 0 1 263.429 3.722 20 0 CHADMN CC(C)n1cc([C@H](C)NCc2cc(O)cc(Cl)c2)cn1 ZINC001120024954 1131270720 /nfs/dbraw/zinc/27/07/20/1131270720.db2.gz PJLFSMBZOKRUBA-NSHDSACASA-N 0 1 293.798 3.674 20 0 CHADMN CO[C@@H](C)c1nc(CNCCCCC(C)C)cs1 ZINC001120032181 1131270789 /nfs/dbraw/zinc/27/07/89/1131270789.db2.gz VTJCHJZXCDJLNX-LBPRGKRZSA-N 0 1 270.442 3.766 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)NOC(C)(C)C)c1ccccc1 ZINC000148966512 1124620514 /nfs/dbraw/zinc/62/05/14/1124620514.db2.gz WETODCBGDAAXFZ-GXTWGEPZSA-N 0 1 263.381 3.663 20 0 CHADMN CCc1ccc(C(C)(C)NCc2ccc(OC)o2)cc1 ZINC001120349295 1131273218 /nfs/dbraw/zinc/27/32/18/1131273218.db2.gz VNTMBIWDPDXNJN-UHFFFAOYSA-N 0 1 273.376 3.876 20 0 CHADMN C[C@H](NCc1ccn(C)c1)c1csc(C(F)(F)F)c1 ZINC000925216687 1124621786 /nfs/dbraw/zinc/62/17/86/1124621786.db2.gz ZJAQLCOJPNOLOI-VIFPVBQESA-N 0 1 288.338 3.956 20 0 CHADMN c1cc(CN2CCC[C@@H]3CCC[C@@H]32)n(C2CCCC2)n1 ZINC000449017145 1124630000 /nfs/dbraw/zinc/63/00/00/1124630000.db2.gz HHKQYBNGIAFRJL-YOEHRIQHSA-N 0 1 273.424 3.763 20 0 CHADMN CCCN(Cc1c(C)nnn1CC)[C@H]1CCc2ccccc21 ZINC000449012474 1124630034 /nfs/dbraw/zinc/63/00/34/1124630034.db2.gz CWIVPKYHJUINTG-KRWDZBQOSA-N 0 1 298.434 3.506 20 0 CHADMN Cc1cccc([C@H]2CCCN2Cc2ccncc2F)c1 ZINC000449009426 1124633696 /nfs/dbraw/zinc/63/36/96/1124633696.db2.gz IEZQTHVYMUQCFG-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1Cc1ccncc1F ZINC000449031754 1124636351 /nfs/dbraw/zinc/63/63/51/1124636351.db2.gz WBMBEJFNQDQGCY-CQSZACIVSA-N 0 1 250.361 3.621 20 0 CHADMN CC(C)[C@](C)(Cc1ccccc1)c1nc([C@@H]2CCCN2)no1 ZINC000871788623 1124636538 /nfs/dbraw/zinc/63/65/38/1124636538.db2.gz NQHKMOGFDKNUBG-YJBOKZPZSA-N 0 1 299.418 3.651 20 0 CHADMN COc1nccc(CN2CCCC[C@@H]2c2ccc(C)cc2)n1 ZINC000449035929 1124637669 /nfs/dbraw/zinc/63/76/69/1124637669.db2.gz QPTDHCCCNOJGJZ-QGZVFWFLSA-N 0 1 297.402 3.521 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2ccncc2F)s1 ZINC000449024093 1124639504 /nfs/dbraw/zinc/63/95/04/1124639504.db2.gz XXYATZDGLXTMHO-CQSZACIVSA-N 0 1 276.380 3.928 20 0 CHADMN CC(C)Oc1cccc([C@H](C)NCc2ccncc2F)c1 ZINC000449083675 1124642753 /nfs/dbraw/zinc/64/27/53/1124642753.db2.gz VALIZWYVPWZTLV-ZDUSSCGKSA-N 0 1 288.366 3.859 20 0 CHADMN Fc1cnccc1CN[C@H](c1cccs1)C1CC1 ZINC000449073657 1124645076 /nfs/dbraw/zinc/64/50/76/1124645076.db2.gz SWMPTGRFRGPWFB-AWEZNQCLSA-N 0 1 262.353 3.523 20 0 CHADMN Cc1ccccc1[C@@H](N)C(=O)Nc1cccc(C(C)C)c1 ZINC000449072430 1124645361 /nfs/dbraw/zinc/64/53/61/1124645361.db2.gz KFDLVFSMSIZTIK-QGZVFWFLSA-N 0 1 282.387 3.757 20 0 CHADMN FC(F)(F)c1ncccc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000528393915 1124653065 /nfs/dbraw/zinc/65/30/65/1124653065.db2.gz WFCOEFDAHQSPRL-YPMHNXCESA-N 0 1 284.325 3.865 20 0 CHADMN C[C@@H]1CCc2c(=O)n(-c3cccc4ccccc43)[nH]c21 ZINC000871946937 1124654789 /nfs/dbraw/zinc/65/47/89/1124654789.db2.gz KQIINOKNEBSHFE-RISCZKNCSA-N 0 1 264.328 3.589 20 0 CHADMN Cc1ccccc1CN[C@@H](C)c1cccc(O)c1F ZINC000872019502 1124658309 /nfs/dbraw/zinc/65/83/09/1124658309.db2.gz YTQFWCCXVKNNBW-LBPRGKRZSA-N 0 1 259.324 3.691 20 0 CHADMN Cc1ccc2sc(CN(C)CCc3ccncc3)nc2c1 ZINC000528430469 1124660080 /nfs/dbraw/zinc/66/00/80/1124660080.db2.gz NUSYQEGLIUQZRT-UHFFFAOYSA-N 0 1 297.427 3.674 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cccc(O)c2F)cc1 ZINC000872029958 1124660674 /nfs/dbraw/zinc/66/06/74/1124660674.db2.gz WHKUSHQQOBGDOG-NWDGAFQWSA-N 0 1 289.350 3.952 20 0 CHADMN CC[C@H](CCC(F)(F)F)N[C@H]1CCCC1(F)F ZINC000872069977 1124673036 /nfs/dbraw/zinc/67/30/36/1124673036.db2.gz AYVNWFPGXPLDPA-BDAKNGLRSA-N 0 1 259.262 3.885 20 0 CHADMN CCc1ccc([C@@H](CO)NCc2cccc(C)c2F)cc1 ZINC000449216267 1124673053 /nfs/dbraw/zinc/67/30/53/1124673053.db2.gz QWMZJLUKIANAKF-QGZVFWFLSA-N 0 1 287.378 3.520 20 0 CHADMN Fc1cnccc1CN1CCC[C@H]1/C=C/c1ccccc1 ZINC000449233147 1124675273 /nfs/dbraw/zinc/67/52/73/1124675273.db2.gz XLLXMOGDPFXKNK-IJDCCNJMSA-N 0 1 282.362 3.899 20 0 CHADMN CC[C@H](NCc1nccc(C(F)(F)F)n1)C(C)(C)CC ZINC000872079683 1124677189 /nfs/dbraw/zinc/67/71/89/1124677189.db2.gz OBBANVWWHALCKS-JTQLQIEISA-N 0 1 289.345 3.800 20 0 CHADMN c1cc(CN2CCCC3(CCC3)C2)n(C2CCCC2)n1 ZINC000449295220 1124685655 /nfs/dbraw/zinc/68/56/55/1124685655.db2.gz QRINUEBFPRXJPZ-UHFFFAOYSA-N 0 1 273.424 3.764 20 0 CHADMN COc1cc(C)ccc1CN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000449295849 1124685767 /nfs/dbraw/zinc/68/57/67/1124685767.db2.gz VRJKQHLIRSSAKD-AAEUAGOBSA-N 0 1 287.325 3.776 20 0 CHADMN FC(F)(F)[C@@H]1CC=CC[C@H]1NCc1ncccc1Cl ZINC000528559696 1124689855 /nfs/dbraw/zinc/68/98/55/1124689855.db2.gz BWOZKZQOSHMHQZ-MWLCHTKSSA-N 0 1 290.716 3.722 20 0 CHADMN C[C@H](CF)N[C@H]1CCc2c1ccc(F)c2Br ZINC000449327619 1124689981 /nfs/dbraw/zinc/68/99/81/1124689981.db2.gz BUQCEWXMALTNEL-HQJQHLMTSA-N 0 1 290.151 3.523 20 0 CHADMN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1cccc(C)c1F ZINC000449333065 1124692436 /nfs/dbraw/zinc/69/24/36/1124692436.db2.gz UMMIDKPQUUUWQH-HNNXBMFYSA-N 0 1 287.382 3.811 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H](C)c1cc2c(s1)CCC2 ZINC000872135680 1124694027 /nfs/dbraw/zinc/69/40/27/1124694027.db2.gz XXTQTRCAGYXVKM-JQWIXIFHSA-N 0 1 287.432 3.747 20 0 CHADMN COCCC1CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC000528578513 1124694318 /nfs/dbraw/zinc/69/43/18/1124694318.db2.gz YPUJIHHZWCKBKQ-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@H](C3CCC3)C2)cc1C(=O)[O-] ZINC000872162815 1124697051 /nfs/dbraw/zinc/69/70/51/1124697051.db2.gz XHFNJJSFCARARD-INIZCTEOSA-N 0 1 287.403 3.705 20 0 CHADMN O=C([O-])c1csc(C[N@H+]2CCCC[C@H]2CC2CCC2)c1 ZINC000872161864 1124697347 /nfs/dbraw/zinc/69/73/47/1124697347.db2.gz FUUSZKLOZOKDKF-AWEZNQCLSA-N 0 1 293.432 3.991 20 0 CHADMN CC(C)[C@@H](N)c1noc([C@@H](C)CCc2ccc(F)cc2)n1 ZINC000872171342 1124697901 /nfs/dbraw/zinc/69/79/01/1124697901.db2.gz RUPXNGIOHPGPIN-SMDDNHRTSA-N 0 1 291.370 3.601 20 0 CHADMN C[C@]1(F)CCCN(Cc2ccc(C(F)F)cc2)C1 ZINC000449351844 1124698220 /nfs/dbraw/zinc/69/82/20/1124698220.db2.gz RCPAVZKOLPKFHD-AWEZNQCLSA-N 0 1 257.299 3.948 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2cc3c(cccc3C3CC3)[nH]2)n1 ZINC000872170274 1124698271 /nfs/dbraw/zinc/69/82/71/1124698271.db2.gz GEGSFFCLQWJPMN-HNNXBMFYSA-N 0 1 296.374 3.751 20 0 CHADMN Fc1cc(Cl)c2c(c1)CN(C[C@H]1CCSC1)CC2 ZINC000449372344 1124704240 /nfs/dbraw/zinc/70/42/40/1124704240.db2.gz GNJYLKJPORQDEV-SNVBAGLBSA-N 0 1 285.815 3.590 20 0 CHADMN C[C@H]1C[C@H](CN2CCc3c(Cl)cc(F)cc3C2)CCO1 ZINC000449372091 1124703566 /nfs/dbraw/zinc/70/35/66/1124703566.db2.gz CGUZJSZNLZURAQ-NWDGAFQWSA-N 0 1 297.801 3.652 20 0 CHADMN Cc1ccc([C@@H]2CCC[C@@H]2NC(CF)CF)cc1 ZINC000449377464 1124716299 /nfs/dbraw/zinc/71/62/99/1124716299.db2.gz AIINNQVUPGFUQY-GJZGRUSLSA-N 0 1 253.336 3.528 20 0 CHADMN CC[C@H](CN1CC(C)(C)[C@@H]1c1nccn1C)c1ccccc1 ZINC000449416657 1124722766 /nfs/dbraw/zinc/72/27/66/1124722766.db2.gz UUVPCFSRJZXOKJ-WBVHZDCISA-N 0 1 297.446 3.997 20 0 CHADMN CCOc1c(Cl)cccc1CN1CC[C@@H]1C1CC1 ZINC000449428174 1124735426 /nfs/dbraw/zinc/73/54/26/1124735426.db2.gz QNUHOXIRSUFRKR-CQSZACIVSA-N 0 1 265.784 3.723 20 0 CHADMN CC(C)CC(=O)CCN([C@H](C)c1ccco1)C1CC1 ZINC000828081827 1124738477 /nfs/dbraw/zinc/73/84/77/1124738477.db2.gz CUVGLBQNLBYZBW-CYBMUJFWSA-N 0 1 263.381 3.810 20 0 CHADMN CCOc1c(Cl)cccc1CN1CC[C@@H](SC)C1 ZINC000449445205 1124741335 /nfs/dbraw/zinc/74/13/35/1124741335.db2.gz HRLQAXHAVYMHNF-GFCCVEGCSA-N 0 1 285.840 3.676 20 0 CHADMN CS[C@H]1CCN(Cc2cnc(-c3cccs3)s2)C1 ZINC000449447387 1124742237 /nfs/dbraw/zinc/74/22/37/1124742237.db2.gz YKLXQVQMMBYEPF-JTQLQIEISA-N 0 1 296.486 3.809 20 0 CHADMN Cc1ccncc1CN[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000873185582 1124746308 /nfs/dbraw/zinc/74/63/08/1124746308.db2.gz YPEKBEJDVCDPAY-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN Cc1cc(Cl)ccc1CN[C@H](C)c1nccnc1C ZINC000873187167 1124746601 /nfs/dbraw/zinc/74/66/01/1124746601.db2.gz MROZLCPDMBRLEY-GFCCVEGCSA-N 0 1 275.783 3.598 20 0 CHADMN Cc1cnccc1CN[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000873184774 1124746685 /nfs/dbraw/zinc/74/66/85/1124746685.db2.gz XYVZQHJOVSUZOZ-LLVKDONJSA-N 0 1 295.308 3.655 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1ccc2c(c1)CCCC2 ZINC000873187203 1124746965 /nfs/dbraw/zinc/74/69/65/1124746965.db2.gz NSRREUYOKPARCA-AWEZNQCLSA-N 0 1 281.403 3.515 20 0 CHADMN C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccccc1F ZINC000449457599 1124747569 /nfs/dbraw/zinc/74/75/69/1124747569.db2.gz GGZQFGHHVGZHBU-JQWIXIFHSA-N 0 1 275.289 3.989 20 0 CHADMN C[C@H](CNCc1nn(C)cc1Cl)c1cccc(Cl)c1 ZINC000449481685 1124756307 /nfs/dbraw/zinc/75/63/07/1124756307.db2.gz VAKMWUWRXLHBDU-SNVBAGLBSA-N 0 1 298.217 3.620 20 0 CHADMN CC1(C)C[C@@H]1C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC001136325047 1131281793 /nfs/dbraw/zinc/28/17/93/1131281793.db2.gz GYAFMYVDRCJIDB-LLVKDONJSA-N 0 1 295.342 3.808 20 0 CHADMN CCO[C@H]1CCN(Cc2cc(Cl)ccc2F)C[C@H]1C ZINC000449491687 1124767960 /nfs/dbraw/zinc/76/79/60/1124767960.db2.gz ALDSIWSKQGCHNV-ABAIWWIYSA-N 0 1 285.790 3.726 20 0 CHADMN FC[C@H]1CCCN1[C@H]1CCc2cccc(Cl)c2C1 ZINC001170946724 1131284785 /nfs/dbraw/zinc/28/47/85/1131284785.db2.gz ORIIEINILKDCFS-QWHCGFSZSA-N 0 1 267.775 3.631 20 0 CHADMN C[N@H+]1CC[C@@H](c2ccc(-c3ccc(C(=O)[O-])cc3F)cc2)C1 ZINC001239275054 1131309629 /nfs/dbraw/zinc/30/96/29/1131309629.db2.gz KVPNMQDUHPGBLI-OAHLLOKOSA-N 0 1 299.345 3.610 20 0 CHADMN Cc1cnc(N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)o1 ZINC000820687719 1131298649 /nfs/dbraw/zinc/29/86/49/1131298649.db2.gz XZKLMJASKZWYES-ZDUSSCGKSA-N 0 1 296.374 3.552 20 0 CHADMN CCOC(=O)c1cc2[nH]c(-c3ccn(C(C)C)c3)ccc-2n1 ZINC001239066919 1131299302 /nfs/dbraw/zinc/29/93/02/1131299302.db2.gz VDBMMGGNUKYSIU-UHFFFAOYSA-N 0 1 297.358 3.789 20 0 CHADMN C[C@H]1CC(F)(F)CCN1Cc1cnc2ccccc2c1 ZINC000528775820 1124801581 /nfs/dbraw/zinc/80/15/81/1124801581.db2.gz ZRVADUWYTDTFFU-LBPRGKRZSA-N 0 1 276.330 3.854 20 0 CHADMN CCc1ccc(CN2CC(c3ccc(Cl)cc3)C2)cn1 ZINC000449556173 1124801781 /nfs/dbraw/zinc/80/17/81/1124801781.db2.gz LFAGIBXBFRWUMP-UHFFFAOYSA-N 0 1 286.806 3.897 20 0 CHADMN FC(F)(F)Sc1ccc(CNCc2cccnc2)cc1 ZINC000020140675 1124808058 /nfs/dbraw/zinc/80/80/58/1124808058.db2.gz RYDSDBCFNFGLDR-UHFFFAOYSA-N 0 1 298.333 3.983 20 0 CHADMN CC[C@H](N[C@H](C)c1nc(C)cc(=O)[nH]1)c1cc(C)ccc1C ZINC000528796318 1124809065 /nfs/dbraw/zinc/80/90/65/1124809065.db2.gz CKAGTQDIKOOINR-ZBFHGGJFSA-N 0 1 299.418 3.909 20 0 CHADMN CC1(C)COC[C@H]1NCc1csc(Cl)c1Cl ZINC000449626087 1124824753 /nfs/dbraw/zinc/82/47/53/1124824753.db2.gz VHOOGQOIBIPAFY-MRVPVSSYSA-N 0 1 280.220 3.570 20 0 CHADMN CCSCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000449637725 1124832416 /nfs/dbraw/zinc/83/24/16/1124832416.db2.gz HOPBHAYNIMEMED-ZDUSSCGKSA-N 0 1 251.395 3.560 20 0 CHADMN OCCC[C@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000449791161 1124873632 /nfs/dbraw/zinc/87/36/32/1124873632.db2.gz NVWXDRDBCSOJLX-NSHDSACASA-N 0 1 288.218 3.588 20 0 CHADMN OCCC[C@@H]1CCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000449792851 1124874819 /nfs/dbraw/zinc/87/48/19/1124874819.db2.gz UYANONIQFDCTCP-LLVKDONJSA-N 0 1 288.218 3.588 20 0 CHADMN CC[C@@H](C)CN(CC)Cc1csc(C2CC2)n1 ZINC000120489766 1124940711 /nfs/dbraw/zinc/94/07/11/1124940711.db2.gz KFGGCBUWGZHTFO-LLVKDONJSA-N 0 1 252.427 3.889 20 0 CHADMN CC(C)(C(=O)Nc1cccc(Cl)c1O)C1CCC1 ZINC000449857538 1124885388 /nfs/dbraw/zinc/88/53/88/1124885388.db2.gz ROUCBWHBKLNFTR-UHFFFAOYSA-N 0 1 267.756 3.810 20 0 CHADMN Cc1ccc2nc(CNC(=O)[C@@H]3CC[C@@H](C)[C@H](C)C3)[nH]c2c1 ZINC000450011052 1124913838 /nfs/dbraw/zinc/91/38/38/1124913838.db2.gz UICVHPSXMHJYSL-MGPQQGTHSA-N 0 1 299.418 3.560 20 0 CHADMN CCN1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000125688007 1124915868 /nfs/dbraw/zinc/91/58/68/1124915868.db2.gz NLTSZSUFIHASOE-GFCCVEGCSA-N 0 1 269.820 3.658 20 0 CHADMN CCC[C@@H](CC(C)C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000450064223 1124923668 /nfs/dbraw/zinc/92/36/68/1124923668.db2.gz XKXGISAUSKGHRI-HNNXBMFYSA-N 0 1 291.439 3.578 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc(OC(C)C)c2)nc1 ZINC000120539823 1124949335 /nfs/dbraw/zinc/94/93/35/1124949335.db2.gz QKYAASPTFDTLFL-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN CC(=O)c1ccc(CN(C)Cc2ccc(C)cc2)cc1 ZINC000450237027 1124955476 /nfs/dbraw/zinc/95/54/76/1124955476.db2.gz IKKZHQWSGULLHK-UHFFFAOYSA-N 0 1 267.372 3.830 20 0 CHADMN CCN(Cc1ccc(Cl)nn1)[C@@H](C)c1ccc(F)cc1 ZINC000876622799 1124966060 /nfs/dbraw/zinc/96/60/60/1124966060.db2.gz MXRCJMKSDBPOLI-NSHDSACASA-N 0 1 293.773 3.852 20 0 CHADMN Cc1cccnc1[C@H](N[C@@H](C)c1cccnc1)C(C)C ZINC000120785421 1124979669 /nfs/dbraw/zinc/97/96/69/1124979669.db2.gz JPNNVFFTDQXRMR-GOEBONIOSA-N 0 1 269.392 3.833 20 0 CHADMN Cc1cccnc1[C@H](N[C@H](C)c1cccnc1)C(C)C ZINC000120785757 1124979975 /nfs/dbraw/zinc/97/99/75/1124979975.db2.gz JPNNVFFTDQXRMR-GDBMZVCRSA-N 0 1 269.392 3.833 20 0 CHADMN C[N@H+](Cc1ccsc1C(F)(F)F)C[C@H]1CCCOC1 ZINC000529527340 1124986283 /nfs/dbraw/zinc/98/62/83/1124986283.db2.gz BEIKUINFXXVCMJ-SNVBAGLBSA-N 0 1 293.354 3.625 20 0 CHADMN CCC[C@H](NCc1ccc(Cl)nn1)c1ccccc1 ZINC000876885404 1124987257 /nfs/dbraw/zinc/98/72/57/1124987257.db2.gz OVXJIUHGRFILQD-AWEZNQCLSA-N 0 1 275.783 3.761 20 0 CHADMN CC(C)[C@@H]1CCN1Cc1cc2c(ccnc2Cl)o1 ZINC000876878414 1124987277 /nfs/dbraw/zinc/98/72/77/1124987277.db2.gz BOIVOLUQJINWBQ-LBPRGKRZSA-N 0 1 264.756 3.712 20 0 CHADMN Cc1ccccc1[C@@H](NCc1ccc(Cl)nn1)C(C)C ZINC000877024746 1125000355 /nfs/dbraw/zinc/00/03/55/1125000355.db2.gz NCYRWRXAHARZGY-INIZCTEOSA-N 0 1 289.810 3.925 20 0 CHADMN CC[C@](C)(NCc1ccc(Cl)nn1)c1ccccc1 ZINC000877046789 1125001193 /nfs/dbraw/zinc/00/11/93/1125001193.db2.gz TXKKIMCMGAZHLC-HNNXBMFYSA-N 0 1 275.783 3.545 20 0 CHADMN CCOC[C@H]1CCCN(Cc2ccc(Cl)c(OC)c2)C1 ZINC000450409078 1125010299 /nfs/dbraw/zinc/01/02/99/1125010299.db2.gz WYVHLQKKNLAMCX-AWEZNQCLSA-N 0 1 297.826 3.597 20 0 CHADMN Cc1cccc([C@H](NC[C@H]2CCCCO2)c2ccccn2)c1 ZINC000877123303 1125012196 /nfs/dbraw/zinc/01/21/96/1125012196.db2.gz JJNVLCRIVMJJJS-MJGOQNOKSA-N 0 1 296.414 3.638 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@H]1NCc1ccc(Cl)nn1 ZINC000877128336 1125014151 /nfs/dbraw/zinc/01/41/51/1125014151.db2.gz GHBAQHRQPZWUCA-BZNIZROVSA-N 0 1 287.794 3.543 20 0 CHADMN CN(Cc1cccnc1)Cc1cccc(OC(C)(C)C)c1 ZINC000877169142 1125016737 /nfs/dbraw/zinc/01/67/37/1125016737.db2.gz IADCHUKYPFPAAT-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nnc(C2CC2)s1 ZINC000450437948 1125026491 /nfs/dbraw/zinc/02/64/91/1125026491.db2.gz LQNWKAZNXLSNBK-WXHSDQCUSA-N 0 1 277.437 3.569 20 0 CHADMN C[C@H]1CN(Cc2cnc3c(F)cccc3c2)CCC1(F)F ZINC000877538580 1125041318 /nfs/dbraw/zinc/04/13/18/1125041318.db2.gz FDIKMOMUBIRVGA-NSHDSACASA-N 0 1 294.320 3.851 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1nnc(C2CC2)s1 ZINC000450479295 1125041478 /nfs/dbraw/zinc/04/14/78/1125041478.db2.gz MYPNVLQUFCZLEC-DOMZBBRYSA-N 0 1 299.443 3.794 20 0 CHADMN COCc1cnc(CN(C)C[C@H](C)C2CCCCC2)s1 ZINC000529675468 1125042175 /nfs/dbraw/zinc/04/21/75/1125042175.db2.gz UUPUXADBGZKILL-ZDUSSCGKSA-N 0 1 296.480 3.938 20 0 CHADMN C[C@H](NCc1ccc(Cl)nn1)c1cccc(C2CC2)c1 ZINC000877557946 1125045000 /nfs/dbraw/zinc/04/50/00/1125045000.db2.gz SFMNVQAFGZINRR-NSHDSACASA-N 0 1 287.794 3.858 20 0 CHADMN F[C@@H]1CCCC[C@H]1NCc1cc2c(ccnc2Cl)o1 ZINC000877589106 1125050496 /nfs/dbraw/zinc/05/04/96/1125050496.db2.gz GWFRUHLRKUFFAV-VXGBXAGGSA-N 0 1 282.746 3.852 20 0 CHADMN CC[C@@H](NCc1ccc(Cl)nn1)c1cc(C)ccc1C ZINC000877656725 1125058957 /nfs/dbraw/zinc/05/89/57/1125058957.db2.gz ABYXTRSRBYJMIY-OAHLLOKOSA-N 0 1 289.810 3.988 20 0 CHADMN COc1ccsc1CN(C)Cc1ccc2cc[nH]c2c1 ZINC000877769934 1125077808 /nfs/dbraw/zinc/07/78/08/1125077808.db2.gz QEGINPMJFMDHGD-UHFFFAOYSA-N 0 1 286.400 3.870 20 0 CHADMN CC(C)n1cc(CN(C)Cc2ccc3cc[nH]c3c2)cn1 ZINC000877769367 1125078384 /nfs/dbraw/zinc/07/83/84/1125078384.db2.gz HBMXDASZJAFGSD-UHFFFAOYSA-N 0 1 282.391 3.577 20 0 CHADMN COCc1ccc(CN(C)Cc2ccc3cc[nH]c3c2)o1 ZINC000877769304 1125078891 /nfs/dbraw/zinc/07/88/91/1125078891.db2.gz FAXWZHBTYZQQJG-UHFFFAOYSA-N 0 1 284.359 3.539 20 0 CHADMN Cc1csc([C@H]2CCN(Cc3cc(F)ccc3F)C2)n1 ZINC000877813049 1125084954 /nfs/dbraw/zinc/08/49/54/1125084954.db2.gz IYVRJFUUDUNUOJ-NSHDSACASA-N 0 1 294.370 3.719 20 0 CHADMN Cc1csc([C@@H]2CCN(Cc3ccc(F)cc3F)C2)n1 ZINC000877813662 1125085635 /nfs/dbraw/zinc/08/56/35/1125085635.db2.gz NMUHVMUDKDZXPW-GFCCVEGCSA-N 0 1 294.370 3.719 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN[C@@H](C)c1nccnc1C ZINC000877828722 1125087145 /nfs/dbraw/zinc/08/71/45/1125087145.db2.gz PJVGBCPPKIAOIP-ZDUSSCGKSA-N 0 1 289.810 3.906 20 0 CHADMN Clc1csc(CNc2ccc3c(n2)CCCC3)n1 ZINC000877829083 1125087599 /nfs/dbraw/zinc/08/75/99/1125087599.db2.gz VIFJKPLUASBSIO-UHFFFAOYSA-N 0 1 279.796 3.682 20 0 CHADMN CCO[C@@H]1CCN(c2ccnc3cc(F)ccc32)C[C@@H]1C ZINC000450742664 1125097202 /nfs/dbraw/zinc/09/72/02/1125097202.db2.gz CKJOTRRGWFEUPZ-YVEFUNNKSA-N 0 1 288.366 3.625 20 0 CHADMN Cc1ccc(C(C)(C)NCc2ccccc2OC2CC2)cn1 ZINC000450742826 1125097461 /nfs/dbraw/zinc/09/74/61/1125097461.db2.gz DEQSHBNBJIGJNE-UHFFFAOYSA-N 0 1 296.414 3.956 20 0 CHADMN CO[C@@H]1CCN(c2cc(C)nc3ccc(F)cc32)C[C@@H]1C ZINC000450764624 1125098659 /nfs/dbraw/zinc/09/86/59/1125098659.db2.gz RAXFJYAKZQVDFV-APPDUMDISA-N 0 1 288.366 3.544 20 0 CHADMN CN(Cc1ccco1)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000877905853 1125099907 /nfs/dbraw/zinc/09/99/07/1125099907.db2.gz CLWBUETVBQHDGE-SJORKVTESA-N 0 1 271.360 3.632 20 0 CHADMN CCS[C@H]1CCCC[C@@H]1NCc1nnc(C(C)C)s1 ZINC000450769963 1125100638 /nfs/dbraw/zinc/10/06/38/1125100638.db2.gz YFDHNXSGPSEEBR-RYUDHWBXSA-N 0 1 299.509 3.815 20 0 CHADMN CC(C)(NCc1scnc1Cl)c1cccs1 ZINC000878417819 1125151416 /nfs/dbraw/zinc/15/14/16/1125151416.db2.gz FWBOQDPQZGJRLG-UHFFFAOYSA-N 0 1 272.826 3.883 20 0 CHADMN Cc1conc1CN(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000877964543 1125107160 /nfs/dbraw/zinc/10/71/60/1125107160.db2.gz QNFQQMMECPOOKS-AWEZNQCLSA-N 0 1 270.376 3.784 20 0 CHADMN C(c1nc2c(o1)CCCC2)N(C1CC1)C1CCCCC1 ZINC000877964331 1125107397 /nfs/dbraw/zinc/10/73/97/1125107397.db2.gz FNMSSSSSMCLHJR-UHFFFAOYSA-N 0 1 274.408 3.851 20 0 CHADMN CCCOc1ccc(C(C)(C)NCc2ccccn2)cc1 ZINC000475667291 1125110704 /nfs/dbraw/zinc/11/07/04/1125110704.db2.gz ATTOBKRJIASMGJ-UHFFFAOYSA-N 0 1 284.403 3.895 20 0 CHADMN Cc1conc1CN1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000878002121 1125112304 /nfs/dbraw/zinc/11/23/04/1125112304.db2.gz NXRUHLRCZJTORC-UHFFFAOYSA-N 0 1 295.386 3.844 20 0 CHADMN CCCN(Cc1nocc1C)[C@@H]1CCc2ccccc21 ZINC000878007190 1125112577 /nfs/dbraw/zinc/11/25/77/1125112577.db2.gz NXBMLWPUYRKTEP-QGZVFWFLSA-N 0 1 270.376 3.883 20 0 CHADMN CC(C)c1cccc(NC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)c1 ZINC000878015080 1125113717 /nfs/dbraw/zinc/11/37/17/1125113717.db2.gz VHONSHQKYLBHCC-SJKOYZFVSA-N 0 1 297.402 3.838 20 0 CHADMN CCCO[C@H]1CCCN(Cc2ccc(C)c(Cl)n2)CC1 ZINC000878087949 1125118040 /nfs/dbraw/zinc/11/80/40/1125118040.db2.gz CUMXKQFGOCEFPT-HNNXBMFYSA-N 0 1 296.842 3.825 20 0 CHADMN Cc1conc1C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000878140914 1125124228 /nfs/dbraw/zinc/12/42/28/1125124228.db2.gz AXHIGJARDCWKLJ-CQSZACIVSA-N 0 1 288.416 3.597 20 0 CHADMN Cc1conc1CN1CC[C@@H](CSc2ccccc2)C1 ZINC000878140914 1125124231 /nfs/dbraw/zinc/12/42/31/1125124231.db2.gz AXHIGJARDCWKLJ-CQSZACIVSA-N 0 1 288.416 3.597 20 0 CHADMN CCc1cnc(CN(C)C[C@@H]2CC(C)(C)OC2(C)C)s1 ZINC000878161565 1125125392 /nfs/dbraw/zinc/12/53/92/1125125392.db2.gz WDLFTTURNHDGQN-LBPRGKRZSA-N 0 1 296.480 3.731 20 0 CHADMN CCc1ccc([C@H](CC(C)C)[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000530162642 1125128658 /nfs/dbraw/zinc/12/86/58/1125128658.db2.gz YXLFUAMVBLLSFY-SJORKVTESA-N 0 1 289.419 3.743 20 0 CHADMN COc1ccccc1-c1nc(CN2CCC3(CCC3)C2)co1 ZINC000878187914 1125129489 /nfs/dbraw/zinc/12/94/89/1125129489.db2.gz JLTLXYFFTOSEBZ-UHFFFAOYSA-N 0 1 298.386 3.726 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1ccc2ccccc2c1 ZINC000530174782 1125130382 /nfs/dbraw/zinc/13/03/82/1125130382.db2.gz AXGGVKSLCWUDQT-ZSBFGKGUSA-N 0 1 297.398 3.913 20 0 CHADMN COCc1ccc(CNC(C)(C)c2ccc(F)cc2)o1 ZINC000126991643 1125134090 /nfs/dbraw/zinc/13/40/90/1125134090.db2.gz SHQZOGSFLBTWKT-UHFFFAOYSA-N 0 1 277.339 3.590 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccccc2)nc1Cl ZINC000878345799 1125143199 /nfs/dbraw/zinc/14/31/99/1125143199.db2.gz XDBLAWQRVJOTHU-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN CC[C@@H](NCc1nccn1CC(F)F)c1ccc(C)cc1 ZINC000878345570 1125143514 /nfs/dbraw/zinc/14/35/14/1125143514.db2.gz PYHHZBZZMXBCIX-CQSZACIVSA-N 0 1 293.361 3.698 20 0 CHADMN C(c1nnc(C2CC2)o1)N1CCCC2(CCCCC2)CC1 ZINC000530343147 1125143970 /nfs/dbraw/zinc/14/39/70/1125143970.db2.gz RRNZTBMAPKPFQF-UHFFFAOYSA-N 0 1 289.423 3.883 20 0 CHADMN CN(Cc1ccc(F)c(F)c1)C[C@H]1CCC2(CCCC2)O1 ZINC000530366867 1125145814 /nfs/dbraw/zinc/14/58/14/1125145814.db2.gz BUINLZVDIRAAHD-CQSZACIVSA-N 0 1 295.373 3.888 20 0 CHADMN CCc1nc([C@H](C)NC[C@@H]2CCCC(C)(C)O2)cs1 ZINC000878418942 1125151501 /nfs/dbraw/zinc/15/15/01/1125151501.db2.gz SVTLKYCJKQPQJL-RYUDHWBXSA-N 0 1 282.453 3.704 20 0 CHADMN FC1(CNc2ccc3c(c2)nc2cc[nH]cc3-2)CCOCC1 ZINC001168129100 1125151539 /nfs/dbraw/zinc/15/15/39/1125151539.db2.gz DMBIWHNURPUUQH-UHFFFAOYSA-N 0 1 299.349 3.647 20 0 CHADMN CCc1nc([C@H](C)NC[C@H]2CCCC(C)(C)O2)cs1 ZINC000878418941 1125151721 /nfs/dbraw/zinc/15/17/21/1125151721.db2.gz SVTLKYCJKQPQJL-NWDGAFQWSA-N 0 1 282.453 3.704 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@H]2CC3(CCC3)CO2)cs1 ZINC000878419217 1125152014 /nfs/dbraw/zinc/15/20/14/1125152014.db2.gz VACGNOKCOMSDKL-CHWSQXEVSA-N 0 1 294.464 3.876 20 0 CHADMN CS[C@@H]1CCN([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000451324671 1125153664 /nfs/dbraw/zinc/15/36/64/1125153664.db2.gz ZFZAYMVFUODTMP-GXSJLCMTSA-N 0 1 273.804 3.977 20 0 CHADMN Cc1cc(OC(C)C)ccc1NC(=O)c1cn[nH]c1C1CC1 ZINC000530458254 1125155563 /nfs/dbraw/zinc/15/55/63/1125155563.db2.gz FCUCEAUOOVNMTA-UHFFFAOYSA-N 0 1 299.374 3.635 20 0 CHADMN FC(F)(F)c1coc(CN2CC[C@H](c3ccccn3)C2)c1 ZINC000878553221 1125161342 /nfs/dbraw/zinc/16/13/42/1125161342.db2.gz ODKPSBDTCVMWID-NSHDSACASA-N 0 1 296.292 3.683 20 0 CHADMN C=C/C=C/CCN1CCCC[C@@H]1c1nccn1CC ZINC000878547539 1125161470 /nfs/dbraw/zinc/16/14/70/1125161470.db2.gz JTIYSNUUACSSJT-LLYBFZRZSA-N 0 1 259.397 3.562 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@H](C)c1cncc(F)c1 ZINC000121946900 1125164088 /nfs/dbraw/zinc/16/40/88/1125164088.db2.gz WPTQLZWJZWHNJL-BDJLRTHQSA-N 0 1 286.350 3.567 20 0 CHADMN C[N@@H+](Cc1scnc1Cl)C1CCC(F)(F)CC1 ZINC000878620404 1125165536 /nfs/dbraw/zinc/16/55/36/1125165536.db2.gz PSBPCVBXJUWKMJ-UHFFFAOYSA-N 0 1 280.771 3.806 20 0 CHADMN CN(Cc1scnc1Cl)C1CCC(F)(F)CC1 ZINC000878620404 1125165539 /nfs/dbraw/zinc/16/55/39/1125165539.db2.gz PSBPCVBXJUWKMJ-UHFFFAOYSA-N 0 1 280.771 3.806 20 0 CHADMN Cc1conc1CN1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000878611949 1125165794 /nfs/dbraw/zinc/16/57/94/1125165794.db2.gz DREPSUNKFOAJKF-MLGOLLRUSA-N 0 1 256.349 3.566 20 0 CHADMN C[C@@H](NCCCSC(C)(C)C)c1c(F)cncc1F ZINC000878613630 1125166107 /nfs/dbraw/zinc/16/61/07/1125166107.db2.gz SSIZANOXFJXFEE-SNVBAGLBSA-N 0 1 288.407 3.932 20 0 CHADMN COC[C@@H]1CCCN(Cc2cc(C(F)(F)F)co2)CC1 ZINC000878693418 1125173731 /nfs/dbraw/zinc/17/37/31/1125173731.db2.gz VHMCLECAZRRSFT-LLVKDONJSA-N 0 1 291.313 3.547 20 0 CHADMN COc1ccc(C)cc1CN1CCS[C@H]2CCCC[C@H]21 ZINC000530754887 1125177664 /nfs/dbraw/zinc/17/76/64/1125177664.db2.gz WSBPDUVXYYMMTK-WBVHZDCISA-N 0 1 291.460 3.864 20 0 CHADMN COc1ccc(C)cc1CN1CCS[C@@H]2CCCC[C@H]21 ZINC000530754885 1125177904 /nfs/dbraw/zinc/17/79/04/1125177904.db2.gz WSBPDUVXYYMMTK-NVXWUHKLSA-N 0 1 291.460 3.864 20 0 CHADMN CCCn1cc(CN2CCC(c3ccsc3)CC2)cn1 ZINC000188694878 1125180495 /nfs/dbraw/zinc/18/04/95/1125180495.db2.gz JUFXFGUMVQXHDG-UHFFFAOYSA-N 0 1 289.448 3.734 20 0 CHADMN C[C@H](NCc1nc2c(o1)CCCC2)C1CCC(F)(F)CC1 ZINC000878846570 1125182447 /nfs/dbraw/zinc/18/24/47/1125182447.db2.gz LHVVTJVMALHKNR-NSHDSACASA-N 0 1 298.377 3.857 20 0 CHADMN CC(C)Oc1ccccc1CN1CCCCC12CC2 ZINC001137139567 1125188464 /nfs/dbraw/zinc/18/84/64/1125188464.db2.gz IFXDUYRPCSPCKG-UHFFFAOYSA-N 0 1 259.393 3.992 20 0 CHADMN CC1(C)C[N@@H+](C[C@H]2CCC3(CCC3)O2)[C@@H]1c1ccncc1 ZINC000879009963 1125191219 /nfs/dbraw/zinc/19/12/19/1125191219.db2.gz MYZFRKJQZMCDOG-HZPDHXFCSA-N 0 1 286.419 3.566 20 0 CHADMN CC1(C)CN(C[C@H]2CCC3(CCC3)O2)[C@@H]1c1ccncc1 ZINC000879009963 1125191222 /nfs/dbraw/zinc/19/12/22/1125191222.db2.gz MYZFRKJQZMCDOG-HZPDHXFCSA-N 0 1 286.419 3.566 20 0 CHADMN CC1(C)C[N@@H+](C[C@@H]2CCC(C)(C)CO2)[C@H]1c1ccncc1 ZINC000879009572 1125191699 /nfs/dbraw/zinc/19/16/99/1125191699.db2.gz AMBHVFAEQWETNC-HOTGVXAUSA-N 0 1 288.435 3.670 20 0 CHADMN CC1(C)CN(C[C@@H]2CCC(C)(C)CO2)[C@H]1c1ccncc1 ZINC000879009572 1125191702 /nfs/dbraw/zinc/19/17/02/1125191702.db2.gz AMBHVFAEQWETNC-HOTGVXAUSA-N 0 1 288.435 3.670 20 0 CHADMN C[C@H]1c2ccccc2C[N@@H+]1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000879021390 1125191790 /nfs/dbraw/zinc/19/17/90/1125191790.db2.gz SXZUONQTIMJUPP-GZIXRCOHSA-N 0 1 257.377 3.521 20 0 CHADMN C[C@H]1c2ccccc2CN1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000879021390 1125191791 /nfs/dbraw/zinc/19/17/91/1125191791.db2.gz SXZUONQTIMJUPP-GZIXRCOHSA-N 0 1 257.377 3.521 20 0 CHADMN COC[C@H](NCc1sccc1C)c1ccc(F)cc1 ZINC000531206083 1125200742 /nfs/dbraw/zinc/20/07/42/1125200742.db2.gz JDPWKPCNPJPBGX-AWEZNQCLSA-N 0 1 279.380 3.673 20 0 CHADMN Fc1cccc(CN2CCC[C@H]2c2ccccn2)c1 ZINC000531200877 1125201230 /nfs/dbraw/zinc/20/12/30/1125201230.db2.gz PQNUINRHMPKGIG-INIZCTEOSA-N 0 1 256.324 3.558 20 0 CHADMN Cc1nc2ccccn2c1CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000531250701 1125204992 /nfs/dbraw/zinc/20/49/92/1125204992.db2.gz UUFXWBVELGDDHB-IUODEOHRSA-N 0 1 295.386 3.649 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccc(CF)cc2)s1 ZINC000879252645 1125205128 /nfs/dbraw/zinc/20/51/28/1125205128.db2.gz WTRBXBUBIVOCAA-JTQLQIEISA-N 0 1 264.369 3.772 20 0 CHADMN CN(Cc1nnc(C(C)(C)C)o1)C1CCC(C)(C)CC1 ZINC000127615150 1125205559 /nfs/dbraw/zinc/20/55/59/1125205559.db2.gz SUCVTJCFBBAIOL-UHFFFAOYSA-N 0 1 279.428 3.768 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CCC2(CCC2)C1 ZINC000122891521 1125208238 /nfs/dbraw/zinc/20/82/38/1125208238.db2.gz LERZMVOYLLAACW-GFCCVEGCSA-N 0 1 262.397 3.909 20 0 CHADMN Cc1cncc(CNCc2ccc(Br)s2)c1 ZINC000122878745 1125208383 /nfs/dbraw/zinc/20/83/83/1125208383.db2.gz WHMAVJPBYICUBX-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN CCC(CC)n1ccc(CNC(C)(C)[C@H]2CCCCO2)n1 ZINC000879408767 1125212483 /nfs/dbraw/zinc/21/24/83/1125212483.db2.gz YWPREZSDOPDSSG-MRXNPFEDSA-N 0 1 293.455 3.682 20 0 CHADMN CCC(CC)n1ccc(CNC(C)(C)[C@@H]2CCCCO2)n1 ZINC000879408766 1125213206 /nfs/dbraw/zinc/21/32/06/1125213206.db2.gz YWPREZSDOPDSSG-INIZCTEOSA-N 0 1 293.455 3.682 20 0 CHADMN C[C@@H]1CCN(Cc2csc(-c3ccoc3)n2)C[C@@H]1C ZINC000122974930 1125216059 /nfs/dbraw/zinc/21/60/59/1125216059.db2.gz UKFHNHUAVFKMEG-NEPJUHHUSA-N 0 1 276.405 3.881 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1csc(-c2ccccn2)n1 ZINC000123078985 1125222091 /nfs/dbraw/zinc/22/20/91/1125222091.db2.gz OEDNNTYBYPKQIQ-VXGBXAGGSA-N 0 1 273.405 3.578 20 0 CHADMN Cc1cncc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)COC3)c1 ZINC000879748971 1125229158 /nfs/dbraw/zinc/22/91/58/1125229158.db2.gz CDHJUSKOSOBIPE-LJQANCHMSA-N 0 1 294.398 3.757 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1coc2ccccc12 ZINC000925248808 1125229503 /nfs/dbraw/zinc/22/95/03/1125229503.db2.gz SYNNGLKRPGHBGW-KHDYIWLOSA-N 0 1 293.366 3.742 20 0 CHADMN CCc1noc(C)c1CN1CCC[C@H]1c1cncc(C)c1 ZINC000879750997 1125232004 /nfs/dbraw/zinc/23/20/04/1125232004.db2.gz YUYOOCQJNBQDOP-KRWDZBQOSA-N 0 1 285.391 3.586 20 0 CHADMN Cc1cccc2c(CN3CCC[C@@H](C(F)(F)F)C3)[nH]nc21 ZINC001137146725 1125234202 /nfs/dbraw/zinc/23/42/02/1125234202.db2.gz VPHCLBHXJZOUTH-LLVKDONJSA-N 0 1 297.324 3.646 20 0 CHADMN CC(=O)Nc1ccc2c(c1)C[N@@H+]([C@@H](C)c1ccccc1)CC2 ZINC000880029290 1125246174 /nfs/dbraw/zinc/24/61/74/1125246174.db2.gz USTZZTKISWBQHE-AWEZNQCLSA-N 0 1 294.398 3.764 20 0 CHADMN Fc1cc(CN2C[C@@H]3CCC[C@@H]3C2)ccc1Br ZINC000532312956 1125247840 /nfs/dbraw/zinc/24/78/40/1125247840.db2.gz HIWLTCSMIVCVIB-TXEJJXNPSA-N 0 1 298.199 3.820 20 0 CHADMN FC[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000880234901 1125258104 /nfs/dbraw/zinc/25/81/04/1125258104.db2.gz LEGATIXKXYPYMX-GFCCVEGCSA-N 0 1 292.329 3.662 20 0 CHADMN FC[C@H]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000880234901 1125258108 /nfs/dbraw/zinc/25/81/08/1125258108.db2.gz LEGATIXKXYPYMX-GFCCVEGCSA-N 0 1 292.329 3.662 20 0 CHADMN CC(C)(C)[C@@H]1CCCN1Cc1ncccc1Br ZINC001307506234 1125259809 /nfs/dbraw/zinc/25/98/09/1125259809.db2.gz LVIOHVSCUTVXAM-ZDUSSCGKSA-N 0 1 297.240 3.855 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CC[C@H](c2nccs2)C1 ZINC000880317103 1125264806 /nfs/dbraw/zinc/26/48/06/1125264806.db2.gz PIFDTSZXMBJXQE-JQWIXIFHSA-N 0 1 294.370 3.972 20 0 CHADMN Cc1nc(CN[C@@H](C)Cc2ccc(Cl)cc2)c(C)o1 ZINC001168150157 1125267518 /nfs/dbraw/zinc/26/75/18/1125267518.db2.gz RIMTUZOLDSYHCO-JTQLQIEISA-N 0 1 278.783 3.666 20 0 CHADMN Cc1cccc(CN2CCc3ccsc3[C@H]2C)n1 ZINC000880376700 1125270367 /nfs/dbraw/zinc/27/03/67/1125270367.db2.gz IWPOUJNGLFMVAQ-GFCCVEGCSA-N 0 1 258.390 3.571 20 0 CHADMN CCc1ccc(CNc2nc3c(cccc3C)s2)cn1 ZINC000508630453 1125274252 /nfs/dbraw/zinc/27/42/52/1125274252.db2.gz FIHLKFVIEILLNS-UHFFFAOYSA-N 0 1 283.400 3.596 20 0 CHADMN Cc1ccc(C)c(NC(=O)C[N@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)c1 ZINC000475732218 1125281807 /nfs/dbraw/zinc/28/18/07/1125281807.db2.gz GHDIDGWDGIQAJH-BMFZPTHFSA-N 0 1 288.435 3.608 20 0 CHADMN CCCCCN(C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C)C(C)C ZINC000880863412 1125295234 /nfs/dbraw/zinc/29/52/34/1125295234.db2.gz CCZJJSQCOUYZNK-XJKSGUPXSA-N 0 1 291.439 3.503 20 0 CHADMN COc1ccc([C@@H](C)NCc2cc(C)co2)cc1C ZINC000897414907 1125316606 /nfs/dbraw/zinc/31/66/06/1125316606.db2.gz NXKUUAKTRKBAGB-CYBMUJFWSA-N 0 1 259.349 3.756 20 0 CHADMN CSc1ccc(-c2cc(-n3ccnc3)ccn2)cc1 ZINC001239496154 1131347151 /nfs/dbraw/zinc/34/71/51/1131347151.db2.gz BRNLDTAQKKGPER-UHFFFAOYSA-N 0 1 267.357 3.656 20 0 CHADMN CSCCN(CCC(F)(F)F)Cc1ccccc1 ZINC000191234890 1125323203 /nfs/dbraw/zinc/32/32/03/1125323203.db2.gz WIFNQTVSUZVJHL-UHFFFAOYSA-N 0 1 277.355 3.804 20 0 CHADMN CC1CCC(N(Cc2cn(C(C)(C)C)nn2)C2CC2)CC1 ZINC000191224612 1125323247 /nfs/dbraw/zinc/32/32/47/1125323247.db2.gz RMQJLEMOZXKQMH-UHFFFAOYSA-N 0 1 290.455 3.576 20 0 CHADMN CCCC1CCC(N(C)Cc2nnc(C)n2CCC)CC1 ZINC000191425897 1125325247 /nfs/dbraw/zinc/32/52/47/1125325247.db2.gz XNPFJYXOVXTCKX-UHFFFAOYSA-N 0 1 292.471 3.787 20 0 CHADMN CN(Cc1ccnc(N)c1)Cc1cc(Cl)cc(Cl)c1 ZINC000191453658 1125325303 /nfs/dbraw/zinc/32/53/03/1125325303.db2.gz CKZWCIFKKHDLRT-UHFFFAOYSA-N 0 1 296.201 3.603 20 0 CHADMN CC(C)N(Cc1nccn1-c1ccccc1)C1CCC1 ZINC000191393275 1125325529 /nfs/dbraw/zinc/32/55/29/1125325529.db2.gz MHSQWIQQXQCMAB-UHFFFAOYSA-N 0 1 269.392 3.635 20 0 CHADMN COc1cccc(CNCc2ccc(C3CC3)cc2)c1OC ZINC000191684273 1125327556 /nfs/dbraw/zinc/32/75/56/1125327556.db2.gz KSNQEQDWMQUJNL-UHFFFAOYSA-N 0 1 297.398 3.871 20 0 CHADMN c1cnc(C[N@@H+]2CCC[C@@H]2CCC2CCCCC2)nc1 ZINC000192077460 1125330005 /nfs/dbraw/zinc/33/00/05/1125330005.db2.gz VRBFNSNJUHXMAG-MRXNPFEDSA-N 0 1 273.424 3.802 20 0 CHADMN c1cnc(CN2CCC[C@@H]2CCC2CCCCC2)nc1 ZINC000192077460 1125330007 /nfs/dbraw/zinc/33/00/07/1125330007.db2.gz VRBFNSNJUHXMAG-MRXNPFEDSA-N 0 1 273.424 3.802 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)Cc1ncccn1 ZINC000192043854 1125330436 /nfs/dbraw/zinc/33/04/36/1125330436.db2.gz LEHPPSOHSWMYEA-QGZVFWFLSA-N 0 1 283.419 3.628 20 0 CHADMN O=C(c1ccccc1)C1CCN(Cc2cccs2)CC1 ZINC000192609302 1125335556 /nfs/dbraw/zinc/33/55/56/1125335556.db2.gz AXZQFPQESBWRNI-UHFFFAOYSA-N 0 1 285.412 3.843 20 0 CHADMN CN(CCC1CCCCC1)Cc1nnc(-c2ccco2)o1 ZINC000170652274 1125343295 /nfs/dbraw/zinc/34/32/95/1125343295.db2.gz JWDJDAIVLDWYTO-UHFFFAOYSA-N 0 1 289.379 3.732 20 0 CHADMN Nc1c(Cl)cccc1CN[C@H]1CCCc2occc21 ZINC000882888453 1125360529 /nfs/dbraw/zinc/36/05/29/1125360529.db2.gz ZYSZAIYUUXOROE-ZDUSSCGKSA-N 0 1 276.767 3.682 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H](C)c2ccsc2)s1 ZINC000309532548 1125361760 /nfs/dbraw/zinc/36/17/60/1125361760.db2.gz DMELWFDYKGYSAE-IUCAKERBSA-N 0 1 252.408 3.925 20 0 CHADMN C[C@@H](N[C@H]1CC[C@@H](C)C1)c1nc(C2CCCCC2)no1 ZINC000248821125 1125369245 /nfs/dbraw/zinc/36/92/45/1125369245.db2.gz FSAPTHHQLNGPOX-BZPMIXESSA-N 0 1 277.412 3.957 20 0 CHADMN C/C=C\C[C@H]1CCCN(CC(=O)Nc2ccccc2C)C1 ZINC000626160681 1125375588 /nfs/dbraw/zinc/37/55/88/1125375588.db2.gz NGAVXYFNDZARGX-QGZUEGPWSA-N 0 1 286.419 3.612 20 0 CHADMN CC[C@H](NCc1cc(C)n[nH]1)c1sccc1Cl ZINC000883190394 1125375658 /nfs/dbraw/zinc/37/56/58/1125375658.db2.gz BYJKFWKORCRBSF-NSHDSACASA-N 0 1 269.801 3.674 20 0 CHADMN C/C=C/C[C@@H]1CCCN([C@H](C)c2nc(C3CC3)no2)C1 ZINC000626161593 1125377165 /nfs/dbraw/zinc/37/71/65/1125377165.db2.gz GCMWMUWJLVOPTQ-CDJBXZAQSA-N 0 1 275.396 3.686 20 0 CHADMN C/C=C/C[C@@H]1CCCN([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000626161595 1125377223 /nfs/dbraw/zinc/37/72/23/1125377223.db2.gz GCMWMUWJLVOPTQ-HORCIZIBSA-N 0 1 275.396 3.686 20 0 CHADMN Fc1ncccc1CN[C@H](c1ccccc1)C1CCC1 ZINC000883221253 1125379753 /nfs/dbraw/zinc/37/97/53/1125379753.db2.gz XECCJFYRJSLKOV-MRXNPFEDSA-N 0 1 270.351 3.852 20 0 CHADMN CC[C@@H](NCc1cc(C)nn1C)c1sccc1Cl ZINC000883220558 1125379959 /nfs/dbraw/zinc/37/99/59/1125379959.db2.gz LPPSBLKKYJEVBT-GFCCVEGCSA-N 0 1 283.828 3.684 20 0 CHADMN C/C=C\C[C@H]1CCCN(Cc2ccn(C(C)C)n2)C1 ZINC000626162639 1125380546 /nfs/dbraw/zinc/38/05/46/1125380546.db2.gz XBBBBQITXSGCBK-XVWMLYKFSA-N 0 1 261.413 3.642 20 0 CHADMN CCSc1ccc(CNCc2ccc(F)nc2C)cc1 ZINC000883236197 1125381747 /nfs/dbraw/zinc/38/17/47/1125381747.db2.gz VISKIKBITVSJAP-UHFFFAOYSA-N 0 1 290.407 3.931 20 0 CHADMN C=C/C=C/CCNCc1c(Cl)cncc1Cl ZINC000883259652 1125387326 /nfs/dbraw/zinc/38/73/26/1125387326.db2.gz SULATUBLTZZYBW-ONEGZZNKSA-N 0 1 257.164 3.610 20 0 CHADMN Cc1ccc(C)c(CNCc2ccc(C)nc2Cl)c1 ZINC000883291543 1125391311 /nfs/dbraw/zinc/39/13/11/1125391311.db2.gz JDBIQLHWDUFNER-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN C[C@@H]1CCN(Cc2c(F)cccc2Cl)C[C@@H]1C ZINC001168200725 1125392773 /nfs/dbraw/zinc/39/27/73/1125392773.db2.gz IDSMFWQRAIAHSW-MNOVXSKESA-N 0 1 255.764 3.957 20 0 CHADMN C[C@@H](CCc1ccccc1)CNC1(c2ncccn2)CCC1 ZINC000883307005 1125392854 /nfs/dbraw/zinc/39/28/54/1125392854.db2.gz KDXFNSYGXYRCST-INIZCTEOSA-N 0 1 295.430 3.714 20 0 CHADMN c1ccc([C@@H]2CC[C@H](NC3(c4ncccn4)CCC3)C2)cc1 ZINC000883312283 1125393348 /nfs/dbraw/zinc/39/33/48/1125393348.db2.gz YWFWMPPXFRWZFC-SJORKVTESA-N 0 1 293.414 3.782 20 0 CHADMN Cc1cnc([C@H](C)NC[C@H]2CCC3(CCCC3)O2)s1 ZINC000229305864 1125395455 /nfs/dbraw/zinc/39/54/55/1125395455.db2.gz JXYHBUQMFSKNAK-QWHCGFSZSA-N 0 1 280.437 3.594 20 0 CHADMN COc1cccc2c1OCCC[C@H]2N[C@H](C)c1ccccn1 ZINC000883330881 1125397604 /nfs/dbraw/zinc/39/76/04/1125397604.db2.gz NZNVGUWJJIQVMT-CZUORRHYSA-N 0 1 298.386 3.655 20 0 CHADMN CC(C)N(Cc1csc(-c2ccoc2)n1)C1CC1 ZINC000170984024 1125398475 /nfs/dbraw/zinc/39/84/75/1125398475.db2.gz UROZWKNKFZOCGL-UHFFFAOYSA-N 0 1 262.378 3.776 20 0 CHADMN C[C@@H](NCc1ccccc1N(C)C)c1ccc(F)c(F)c1 ZINC000171126310 1125403721 /nfs/dbraw/zinc/40/37/21/1125403721.db2.gz PLTKLNVSJYIJKK-GFCCVEGCSA-N 0 1 290.357 3.882 20 0 CHADMN Fc1cccc([C@H]2CCCN2Cc2cccnc2)c1 ZINC000171145967 1125404509 /nfs/dbraw/zinc/40/45/09/1125404509.db2.gz FDDAXFCMXURFJC-MRXNPFEDSA-N 0 1 256.324 3.558 20 0 CHADMN CCCCN(CC(=O)Nc1cc(C)cc(C)c1)C1CC1 ZINC000532477866 1125406337 /nfs/dbraw/zinc/40/63/37/1125406337.db2.gz MAFXADHZZQQXPC-UHFFFAOYSA-N 0 1 274.408 3.506 20 0 CHADMN Cc1ccc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])c(Cl)c1 ZINC000235873311 1125407584 /nfs/dbraw/zinc/40/75/84/1125407584.db2.gz LRGAHIHWRIJTSX-AWEZNQCLSA-N 0 1 295.810 3.868 20 0 CHADMN C[C@H](CN(C)[C@@H](C)C(=O)Nc1ccccc1)c1ccccc1 ZINC000532518487 1125408937 /nfs/dbraw/zinc/40/89/37/1125408937.db2.gz DWSZSLRGNWJVMW-CVEARBPZSA-N 0 1 296.414 3.749 20 0 CHADMN Cc1nc(C)c([C@H](C)N[C@H](C)c2cnn(C(C)C)c2)s1 ZINC000532511576 1125409297 /nfs/dbraw/zinc/40/92/97/1125409297.db2.gz MBMGUPPPOQWEGT-MNOVXSKESA-N 0 1 292.452 3.949 20 0 CHADMN Cc1cccc2ncc(CN3CCC(F)(F)C(C)(C)C3)n21 ZINC001137192571 1125417029 /nfs/dbraw/zinc/41/70/29/1125417029.db2.gz LTEFKLDKJBKIRX-UHFFFAOYSA-N 0 1 293.361 3.510 20 0 CHADMN CO[C@@]1(C)CCCN([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000348232464 1125423205 /nfs/dbraw/zinc/42/32/05/1125423205.db2.gz PWCCTZWPSCWGQU-ABAIWWIYSA-N 0 1 269.335 3.527 20 0 CHADMN O=c1cc(C2CCCC2)[nH]n1Cc1cccc(Cl)c1 ZINC000132883282 1125425448 /nfs/dbraw/zinc/42/54/48/1125425448.db2.gz AUMYAGNOECOTSD-UHFFFAOYSA-N 0 1 276.767 3.619 20 0 CHADMN CCCN(C)[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000119281756 1125426079 /nfs/dbraw/zinc/42/60/79/1125426079.db2.gz MSYGQDYFHUEHEN-CYBMUJFWSA-N 0 1 273.380 3.756 20 0 CHADMN CC[C@@H](C)CN1CCN(c2ccc(F)cc2Cl)CC1 ZINC001168243566 1125428177 /nfs/dbraw/zinc/42/81/77/1125428177.db2.gz GKGLHWDBUUKMNW-GFCCVEGCSA-N 0 1 284.806 3.647 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccc(Cl)cc1)c1cccnc1 ZINC000348244503 1125429077 /nfs/dbraw/zinc/42/90/77/1125429077.db2.gz NUWPKFFKWXWZRJ-LRDDRELGSA-N 0 1 290.794 3.509 20 0 CHADMN CSc1ccccc1NC(=O)c1cccc2cn[nH]c21 ZINC000039555678 1125429556 /nfs/dbraw/zinc/42/95/56/1125429556.db2.gz IPJDVPJKHLLXIL-UHFFFAOYSA-N 0 1 283.356 3.537 20 0 CHADMN Cc1nc(C[N@@H+]2CCCC[C@H]2CC(C)C)cs1 ZINC000123660914 1125432195 /nfs/dbraw/zinc/43/21/95/1125432195.db2.gz POGKLEAFDUOFII-AWEZNQCLSA-N 0 1 252.427 3.852 20 0 CHADMN COCc1ccc(CN2CCc3c(F)cccc3C2)cc1 ZINC000123796293 1125433004 /nfs/dbraw/zinc/43/30/04/1125433004.db2.gz RGXLMCNEOFTTEX-UHFFFAOYSA-N 0 1 285.362 3.530 20 0 CHADMN CC(C)[C@H](N)c1noc(-c2cc(Cl)sc2Cl)n1 ZINC000225434774 1125433237 /nfs/dbraw/zinc/43/32/37/1125433237.db2.gz JLGUSAHWIAYMTC-ZETCQYMHSA-N 0 1 292.191 3.761 20 0 CHADMN CCCn1cc(CN2CCC[C@@H]2c2ccc(F)cc2)cn1 ZINC000124076233 1125434479 /nfs/dbraw/zinc/43/44/79/1125434479.db2.gz MIHDIAOGFGWWDR-QGZVFWFLSA-N 0 1 287.382 3.769 20 0 CHADMN C[N@@H+](Cc1cccnc1)[C@@H]1CCCc2ccccc21 ZINC000124195076 1125435250 /nfs/dbraw/zinc/43/52/50/1125435250.db2.gz OXRDFSMNALYLHV-QGZVFWFLSA-N 0 1 252.361 3.591 20 0 CHADMN CCCn1cc(CN2CCC[C@H]2c2cccc(OC)c2)cn1 ZINC000124233379 1125436550 /nfs/dbraw/zinc/43/65/50/1125436550.db2.gz YWOWNQSAHFHAMR-SFHVURJKSA-N 0 1 299.418 3.639 20 0 CHADMN O=C(Nc1ccc(Cl)cc1F)c1cccc2[nH]ncc21 ZINC000042016110 1125437077 /nfs/dbraw/zinc/43/70/77/1125437077.db2.gz JOFSGWHJWZUHEP-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN C[C@H]1CC[C@@H](N(C)Cc2csc(-c3ccccn3)n2)C1 ZINC000429559446 1125438769 /nfs/dbraw/zinc/43/87/69/1125438769.db2.gz HNWUXLIOCTYHQC-GXTWGEPZSA-N 0 1 287.432 3.826 20 0 CHADMN C[C@H](NCCn1cccn1)c1ccc(Cl)cc1Cl ZINC000042538819 1125441948 /nfs/dbraw/zinc/44/19/48/1125441948.db2.gz NVQSOSAULCOBQL-JTQLQIEISA-N 0 1 284.190 3.541 20 0 CHADMN CC[C@H]1CN(Cc2cc(C)nc3ccccc23)C[C@H](C)O1 ZINC000124810564 1125442886 /nfs/dbraw/zinc/44/28/86/1125442886.db2.gz XHAAXHAYRGBLFZ-HOCLYGCPSA-N 0 1 284.403 3.543 20 0 CHADMN CCc1ccc(CN2C[C@H](C)C[C@H]2c2cccnc2)cn1 ZINC000348255166 1125443236 /nfs/dbraw/zinc/44/32/36/1125443236.db2.gz RQIIBRFQIBRYFQ-KDOFPFPSSA-N 0 1 281.403 3.622 20 0 CHADMN Cc1noc(C[N@H+]2CCCC[C@@H]2CCCc2ccccc2)n1 ZINC000125059107 1125444048 /nfs/dbraw/zinc/44/40/48/1125444048.db2.gz YDAWWVMBQKASOM-QGZVFWFLSA-N 0 1 299.418 3.755 20 0 CHADMN Cc1noc(CN2CCCC[C@@H]2CCCc2ccccc2)n1 ZINC000125059107 1125444050 /nfs/dbraw/zinc/44/40/50/1125444050.db2.gz YDAWWVMBQKASOM-QGZVFWFLSA-N 0 1 299.418 3.755 20 0 CHADMN C[C@@H](NCc1ccc(Cl)c(F)c1)c1ccccn1 ZINC000043388454 1125447432 /nfs/dbraw/zinc/44/74/32/1125447432.db2.gz AIJQEVLKYCXZMH-SNVBAGLBSA-N 0 1 264.731 3.725 20 0 CHADMN Cc1ccc([C@H]2CCCCCN2Cc2nccnc2C)o1 ZINC000621717446 1129186092 /nfs/dbraw/zinc/18/60/92/1129186092.db2.gz DUELBOMJCXFOLE-MRXNPFEDSA-N 0 1 285.391 3.804 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)N(C)Cc1cn[nH]c1C)c1ccccc1 ZINC000636067787 1129197762 /nfs/dbraw/zinc/19/77/62/1129197762.db2.gz XKQZBAIIGPSECS-SUMWQHHRSA-N 0 1 299.418 3.506 20 0 CHADMN COc1ccncc1CNCc1ccc(C(C)C)cc1 ZINC000292668394 1129209584 /nfs/dbraw/zinc/20/95/84/1129209584.db2.gz MBMWMBDQRNXYRT-UHFFFAOYSA-N 0 1 270.376 3.503 20 0 CHADMN COC1(CN[C@H](c2ccccc2)c2ccccn2)CCCC1 ZINC000296238519 1129220472 /nfs/dbraw/zinc/22/04/72/1129220472.db2.gz ARNGEUDPSKUDBU-GOSISDBHSA-N 0 1 296.414 3.720 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2ccc3c(c2)CCCCC3)[nH]1 ZINC000622127070 1129229861 /nfs/dbraw/zinc/22/98/61/1129229861.db2.gz QWVASCOQOMNGEB-UHFFFAOYSA-N 0 1 283.375 3.548 20 0 CHADMN Nc1c(F)cccc1CN1CCCCC[C@H]1c1ccncc1 ZINC000637830134 1129231379 /nfs/dbraw/zinc/23/13/79/1129231379.db2.gz SECQUZWJXRSYRB-KRWDZBQOSA-N 0 1 299.393 3.920 20 0 CHADMN COc1cncc(CN(C)[C@H](C)c2ccccc2)c1C ZINC000637871989 1129233412 /nfs/dbraw/zinc/23/34/12/1129233412.db2.gz XKIDQCNYXFTUMM-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN CO[C@](C)(CN(C)Cc1nc2ccccc2s1)C1CC1 ZINC000637875830 1129233835 /nfs/dbraw/zinc/23/38/35/1129233835.db2.gz HWBJFZDELHUMOU-MRXNPFEDSA-N 0 1 290.432 3.543 20 0 CHADMN CCSCC[C@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000336897521 1129234095 /nfs/dbraw/zinc/23/40/95/1129234095.db2.gz PIMMUVAAFAIBOV-JTQLQIEISA-N 0 1 273.829 3.667 20 0 CHADMN Cc1ncc([C@H](C)N(Cc2cccs2)C2CC2)c(C)n1 ZINC000637899495 1129235825 /nfs/dbraw/zinc/23/58/25/1129235825.db2.gz HZYRDAFCWAXHRH-LBPRGKRZSA-N 0 1 287.432 3.881 20 0 CHADMN C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(C(F)F)nc1 ZINC000637956269 1129238398 /nfs/dbraw/zinc/23/83/98/1129238398.db2.gz JQWZIHIDWLFIGP-UHFFFAOYSA-N 0 1 294.320 3.833 20 0 CHADMN C[C@@H](c1ccco1)N(Cc1cccc(F)c1N)C1CC1 ZINC000637971742 1129238926 /nfs/dbraw/zinc/23/89/26/1129238926.db2.gz PFFJVEJZULOSIX-NSHDSACASA-N 0 1 274.339 3.727 20 0 CHADMN Cc1ncc([C@H](C)N2CCS[C@H]3CCCC[C@H]32)c(C)n1 ZINC000638120429 1129245016 /nfs/dbraw/zinc/24/50/16/1129245016.db2.gz GDMONLNCOFTDSZ-MAZHCROVSA-N 0 1 291.464 3.514 20 0 CHADMN Cc1ncc([C@H](C)N2CCCC[C@@H]2c2cccn2C)c(C)n1 ZINC000638151530 1129245798 /nfs/dbraw/zinc/24/57/98/1129245798.db2.gz FKDBFYUMCXENEM-KBXCAEBGSA-N 0 1 298.434 3.720 20 0 CHADMN CC(C)[C@H](N[C@@H](c1nccn1C)C1CC1)c1ccccc1 ZINC000638319750 1129253443 /nfs/dbraw/zinc/25/34/43/1129253443.db2.gz ZOFRBPDJWAUILP-DLBZAZTESA-N 0 1 283.419 3.858 20 0 CHADMN Cn1ccnc1[C@@H](N[C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000638316378 1129253938 /nfs/dbraw/zinc/25/39/38/1129253938.db2.gz BKGHTFHJAOBQQJ-IRXDYDNUSA-N 0 1 281.403 3.612 20 0 CHADMN Fc1ncccc1CN1CCC[C@H](Cc2ccccc2)C1 ZINC001138789312 1129254178 /nfs/dbraw/zinc/25/41/78/1129254178.db2.gz WGCHDMUIBGYQNT-MRXNPFEDSA-N 0 1 284.378 3.675 20 0 CHADMN CCCCC[C@@H]1CCCCN1C(=O)c1oc(CN)cc1C ZINC000638428725 1129258868 /nfs/dbraw/zinc/25/88/68/1129258868.db2.gz AFIYOXKVXMCHMK-CQSZACIVSA-N 0 1 292.423 3.622 20 0 CHADMN CC[C@@H](C(=O)N(CC(C)C)c1ccc(Cl)cc1)N(C)C ZINC000622440503 1129259292 /nfs/dbraw/zinc/25/92/92/1129259292.db2.gz GEHAXACTZWWVHR-HNNXBMFYSA-N 0 1 296.842 3.669 20 0 CHADMN Cc1cnc(CNCC(C)(C)c2cccc(Cl)c2)o1 ZINC000638451532 1129259584 /nfs/dbraw/zinc/25/95/84/1129259584.db2.gz PAHRLFMONXQKMV-UHFFFAOYSA-N 0 1 278.783 3.704 20 0 CHADMN C[C@H]1Cc2ccccc2[C@@H]1NCc1cc(C2CC2)no1 ZINC000638523999 1129261377 /nfs/dbraw/zinc/26/13/77/1129261377.db2.gz LMNWBWXTVLSTRA-APPDUMDISA-N 0 1 268.360 3.575 20 0 CHADMN Cc1ccc(CN(C)C[C@@H](O)c2ccc(F)cc2Cl)o1 ZINC000184912805 1129261668 /nfs/dbraw/zinc/26/16/68/1129261668.db2.gz BRCBMIHXXLKEKG-OAHLLOKOSA-N 0 1 297.757 3.546 20 0 CHADMN Cc1cccc2c1CC[C@@H]2NCc1cc(C2CC2)no1 ZINC000638544147 1129261787 /nfs/dbraw/zinc/26/17/87/1129261787.db2.gz IMAQFNBIQXRJFA-INIZCTEOSA-N 0 1 268.360 3.638 20 0 CHADMN Nc1c(F)cccc1CNC1(c2ccc(Cl)cc2)CC1 ZINC000638582316 1129262450 /nfs/dbraw/zinc/26/24/50/1129262450.db2.gz VANDNHPXGMBSQP-UHFFFAOYSA-N 0 1 290.769 3.840 20 0 CHADMN CC(C)[C@@H]1CN(C(=O)CCCC2CCCCC2)CCN1C ZINC000622555472 1129266505 /nfs/dbraw/zinc/26/65/05/1129266505.db2.gz WVPVZJXOSBIGGQ-KRWDZBQOSA-N 0 1 294.483 3.536 20 0 CHADMN CC[C@@H]1CCCN(Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000622586248 1129267041 /nfs/dbraw/zinc/26/70/41/1129267041.db2.gz OAOOUZXAQWBZMG-CQSZACIVSA-N 0 1 287.382 3.633 20 0 CHADMN CC(C)(NCc1cccc(F)c1N)c1ccc(F)c(F)c1 ZINC000638722867 1129267694 /nfs/dbraw/zinc/26/76/94/1129267694.db2.gz WMUWVOBRAATTPM-UHFFFAOYSA-N 0 1 294.320 3.711 20 0 CHADMN Cc1cccc([C@H](N[C@@H]2CS[C@H](C)C2)c2ccccn2)c1 ZINC000638813431 1129271196 /nfs/dbraw/zinc/27/11/96/1129271196.db2.gz GUNQCBDXEHCAGM-HFTRVMKXSA-N 0 1 298.455 3.963 20 0 CHADMN C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1cccc(F)c1N ZINC000638968059 1129275575 /nfs/dbraw/zinc/27/55/75/1129275575.db2.gz FXQRFEANURREPO-ONGXEEELSA-N 0 1 290.304 3.571 20 0 CHADMN C[C@H](c1cccnc1)N(C)[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000639041115 1129278101 /nfs/dbraw/zinc/27/81/01/1129278101.db2.gz RVOAICBESXCLEC-CZUORRHYSA-N 0 1 299.422 3.514 20 0 CHADMN Cc1ccnc([C@@H](C)N[C@H](c2cnn(C)c2)C(C)(C)C)c1 ZINC000348092428 1129280491 /nfs/dbraw/zinc/28/04/91/1129280491.db2.gz PHOCLHVNZRFLRI-CZUORRHYSA-N 0 1 286.423 3.562 20 0 CHADMN COc1cc(CNCc2cscc2C)c(Cl)cc1O ZINC000639110923 1129283227 /nfs/dbraw/zinc/28/32/27/1129283227.db2.gz QOWJSCWEBIKZPR-UHFFFAOYSA-N 0 1 297.807 3.714 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1cccc(F)c1N ZINC000639153631 1129287633 /nfs/dbraw/zinc/28/76/33/1129287633.db2.gz GVLGTKMGVRUONX-LLVKDONJSA-N 0 1 290.407 3.981 20 0 CHADMN FC(F)C1(N[C@@H](c2nnc[nH]2)C2CCCCC2)CCCC1 ZINC000639186394 1129290478 /nfs/dbraw/zinc/29/04/78/1129290478.db2.gz MGOCHYVIYYDAHI-GFCCVEGCSA-N 0 1 298.381 3.594 20 0 CHADMN C[C@@H](NCc1nccc(C(F)F)n1)[C@H]1CC2CCC1CC2 ZINC000639183646 1129290616 /nfs/dbraw/zinc/29/06/16/1129290616.db2.gz CKKRCZYSLZGLNG-IKWCTNDRSA-N 0 1 295.377 3.719 20 0 CHADMN Cc1cc(CN[C@@H]2CCCN(C)c3ccccc32)sn1 ZINC000639236494 1129295813 /nfs/dbraw/zinc/29/58/13/1129295813.db2.gz SFVRNOJPJKUSGN-OAHLLOKOSA-N 0 1 287.432 3.512 20 0 CHADMN Cc1cnc(CNC2(C(C)(C)c3ccc(F)cc3)CC2)o1 ZINC000639239701 1129296256 /nfs/dbraw/zinc/29/62/56/1129296256.db2.gz ZJOLYBAFJBKMFN-UHFFFAOYSA-N 0 1 288.366 3.722 20 0 CHADMN Cn1ccnc1[C@@H](Nc1ccc2cnccc2c1)C1CC1 ZINC000639246325 1129297306 /nfs/dbraw/zinc/29/73/06/1129297306.db2.gz DHZBIUJOFAPVHX-INIZCTEOSA-N 0 1 278.359 3.532 20 0 CHADMN C[C@@H](NC1CCC(=C2CCC2)CC1)c1csnn1 ZINC000639267618 1129298141 /nfs/dbraw/zinc/29/81/41/1129298141.db2.gz ZHSPFUVKIWENQD-SNVBAGLBSA-N 0 1 263.410 3.612 20 0 CHADMN Nc1c(F)cccc1CNC1(c2cccc(F)c2)CCC1 ZINC000639300150 1129300611 /nfs/dbraw/zinc/30/06/11/1129300611.db2.gz XUTAEXTUQWRJFJ-UHFFFAOYSA-N 0 1 288.341 3.716 20 0 CHADMN Cc1cc(CNc2nccc(C)c2C2CC2)sn1 ZINC000639311864 1129301267 /nfs/dbraw/zinc/30/12/67/1129301267.db2.gz QMGGRCVCRLXTQW-UHFFFAOYSA-N 0 1 259.378 3.644 20 0 CHADMN CC(C)[C@@H](NCc1ccns1)c1ccccc1F ZINC000639309567 1129301499 /nfs/dbraw/zinc/30/14/99/1129301499.db2.gz CLFHWQRXYQOWIK-CQSZACIVSA-N 0 1 264.369 3.769 20 0 CHADMN COc1cccc(C2(NCc3cc(C)ns3)CCC2)c1 ZINC000639333911 1129303238 /nfs/dbraw/zinc/30/32/38/1129303238.db2.gz CNOSUIRUPLYFHP-UHFFFAOYSA-N 0 1 288.416 3.629 20 0 CHADMN CC(C)c1ccccc1NC(=O)c1cc(C(F)F)n[nH]1 ZINC000639478534 1129318067 /nfs/dbraw/zinc/31/80/67/1129318067.db2.gz NGHFMSCFYHYREK-UHFFFAOYSA-N 0 1 279.290 3.723 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1nc(C2CCC2)no1 ZINC000639524905 1129322350 /nfs/dbraw/zinc/32/23/50/1129322350.db2.gz CTIJDAPKJKIYFB-BBRMVZONSA-N 0 1 297.402 3.715 20 0 CHADMN CCC[C@@H](NCC(C)=O)c1cccc(C(F)(F)F)c1 ZINC000639581877 1129324632 /nfs/dbraw/zinc/32/46/32/1129324632.db2.gz SUEVRTLTCOIVKV-CYBMUJFWSA-N 0 1 273.298 3.725 20 0 CHADMN Cc1ncc2c(n1)CCC[C@H]2N[C@H](C)c1ccc(F)cc1 ZINC000734850766 1129325166 /nfs/dbraw/zinc/32/51/66/1129325166.db2.gz MUERMCARKBCHRX-BDJLRTHQSA-N 0 1 285.366 3.652 20 0 CHADMN COc1ccccc1C1(NCc2c(C)cc(C)nc2C)CC1 ZINC000639694103 1129330063 /nfs/dbraw/zinc/33/00/63/1129330063.db2.gz RZHGJCKNAOLJOZ-UHFFFAOYSA-N 0 1 296.414 3.794 20 0 CHADMN Fc1ccccc1C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639693607 1129330362 /nfs/dbraw/zinc/33/03/62/1129330362.db2.gz QJBSIOKMMCCHGR-OAHLLOKOSA-N 0 1 270.351 3.600 20 0 CHADMN CCCOc1cccc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000639777578 1129333169 /nfs/dbraw/zinc/33/31/69/1129333169.db2.gz LXGUOFILWURLIZ-QGZVFWFLSA-N 0 1 285.391 3.536 20 0 CHADMN CCCOc1cccc(CN2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000639777578 1129333173 /nfs/dbraw/zinc/33/31/73/1129333173.db2.gz LXGUOFILWURLIZ-QGZVFWFLSA-N 0 1 285.391 3.536 20 0 CHADMN CC1(C)CN(C[C@H]2CCC(C)(C)O2)[C@H]1c1ccco1 ZINC000639926644 1129339741 /nfs/dbraw/zinc/33/97/41/1129339741.db2.gz ANAMRIREVMXNME-OCCSQVGLSA-N 0 1 263.381 3.620 20 0 CHADMN CC1(C)CN(Cc2cccc3c2CCOC3)[C@@H]1c1ccco1 ZINC000639927539 1129340422 /nfs/dbraw/zinc/34/04/22/1129340422.db2.gz FQLMNKISQHOPSQ-GOSISDBHSA-N 0 1 297.398 3.935 20 0 CHADMN CC[C@@](C)(NCc1cc(C)nc(C)n1)c1ccc(F)cc1 ZINC000639928997 1129340625 /nfs/dbraw/zinc/34/06/25/1129340625.db2.gz UBPCJSBTCYYXJU-QGZVFWFLSA-N 0 1 287.382 3.648 20 0 CHADMN CC[C@](C)(NCc1cccc(C)n1)c1ccc(F)cc1 ZINC000639929356 1129341017 /nfs/dbraw/zinc/34/10/17/1129341017.db2.gz TZDQVJKNRRWKJS-KRWDZBQOSA-N 0 1 272.367 3.944 20 0 CHADMN CCCCC[C@@H]1CCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000639979382 1129342843 /nfs/dbraw/zinc/34/28/43/1129342843.db2.gz KGGZVGMSROMRLG-SNVBAGLBSA-N 0 1 285.338 3.532 20 0 CHADMN CCc1ccc(CNCc2nc3c(s2)CCCC3)s1 ZINC000719529093 1129343145 /nfs/dbraw/zinc/34/31/45/1129343145.db2.gz BHKSDJNJNOOFHD-UHFFFAOYSA-N 0 1 292.473 3.936 20 0 CHADMN CCc1nnc([C@H](C)N2CCC[C@H](C3CCC3)CC2)o1 ZINC000640105714 1129348736 /nfs/dbraw/zinc/34/87/36/1129348736.db2.gz IHBTWGUEZNDBDM-JSGCOSHPSA-N 0 1 277.412 3.595 20 0 CHADMN Cc1nonc1CN1CCCCC[C@H]1c1cccc(C)c1 ZINC000735495263 1129349794 /nfs/dbraw/zinc/34/97/94/1129349794.db2.gz SAKMWKNVGKJPLK-KRWDZBQOSA-N 0 1 285.391 3.804 20 0 CHADMN CC(C)(C)n1ncnc1CN1CC[C@@]1(C)C1CCCCC1 ZINC000640219119 1129351636 /nfs/dbraw/zinc/35/16/36/1129351636.db2.gz JZFPRDWBPFNHAS-KRWDZBQOSA-N 0 1 290.455 3.578 20 0 CHADMN C[C@@H](CN(C)CC(=O)Nc1c(F)cccc1F)C(C)(C)C ZINC000640349232 1129355935 /nfs/dbraw/zinc/35/59/35/1129355935.db2.gz XLXYGVINTMWKCX-NSHDSACASA-N 0 1 298.377 3.517 20 0 CHADMN Cc1cc(Nc2ccc(CO)c(Cl)c2)c2ccccc2n1 ZINC001212888269 1129369165 /nfs/dbraw/zinc/36/91/65/1129369165.db2.gz NIJCKHRNWWSABP-UHFFFAOYSA-N 0 1 298.773 3.854 20 0 CHADMN CC1(C)CCCC[C@H]1Cn1cc([C@H](N)c2ccccc2)nn1 ZINC000641161370 1129374776 /nfs/dbraw/zinc/37/47/76/1129374776.db2.gz XWBGSJNTPLGNSD-DOTOQJQBSA-N 0 1 298.434 3.543 20 0 CHADMN CCCCCCC(=O)Nc1cccc(Cl)c1O ZINC000736683452 1129378805 /nfs/dbraw/zinc/37/88/05/1129378805.db2.gz UQGFHQJYHLPWPX-UHFFFAOYSA-N 0 1 255.745 3.955 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@@H](C)c1ccc2c(c1)CCO2 ZINC000092327219 1129386465 /nfs/dbraw/zinc/38/64/65/1129386465.db2.gz HVSXSNRTUIXBRC-QWRGUYRKSA-N 0 1 286.375 3.638 20 0 CHADMN COc1cc(C)cc(CNCc2ccc(SC)o2)c1 ZINC000641740764 1129389375 /nfs/dbraw/zinc/38/93/75/1129389375.db2.gz CJYRFPADVQMIPD-UHFFFAOYSA-N 0 1 277.389 3.608 20 0 CHADMN CN(C)c1cccnc1CN[C@@H](c1ccccc1)C1CCC1 ZINC000641779912 1129391338 /nfs/dbraw/zinc/39/13/38/1129391338.db2.gz SZYSCWYTHWKFDJ-IBGZPJMESA-N 0 1 295.430 3.779 20 0 CHADMN CCc1cc(CNCc2ccc(-c3ccc(C)cc3)o2)[nH]n1 ZINC000738430722 1129393724 /nfs/dbraw/zinc/39/37/24/1129393724.db2.gz IWRZBCJXXRGGLC-UHFFFAOYSA-N 0 1 295.386 3.830 20 0 CHADMN CCCC[C@H](C)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000641842410 1129394950 /nfs/dbraw/zinc/39/49/50/1129394950.db2.gz RPTJJFVAQYIOLJ-ZDUSSCGKSA-N 0 1 285.391 3.727 20 0 CHADMN CC[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000642330164 1129414251 /nfs/dbraw/zinc/41/42/51/1129414251.db2.gz MYKNQAJAEOZLSV-CQSZACIVSA-N 0 1 270.376 3.964 20 0 CHADMN CCN(Cc1csc(Nc2ccccc2)n1)CC(C)C ZINC000642526663 1129419932 /nfs/dbraw/zinc/41/99/32/1129419932.db2.gz FRMLMKILUWPZFB-UHFFFAOYSA-N 0 1 289.448 3.787 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2csc(Br)c2)C1 ZINC000642620617 1129421842 /nfs/dbraw/zinc/42/18/42/1129421842.db2.gz ADDCYLGKNIBQSX-AOOOYVTPSA-N 0 1 288.254 3.989 20 0 CHADMN Cc1cc(C)cc(NC(=O)c2cc(-c3ccoc3)n[nH]2)c1 ZINC000642656773 1129423461 /nfs/dbraw/zinc/42/34/61/1129423461.db2.gz DWWWVYJFYHMPRJ-UHFFFAOYSA-N 0 1 281.315 3.539 20 0 CHADMN C[C@H](C(=O)O[C@@H](C)c1ccc(F)cc1)N1[C@H](C)CC[C@@H]1C ZINC000741016507 1129426600 /nfs/dbraw/zinc/42/66/00/1129426600.db2.gz IGSUSBNWJNHULX-RQJABVFESA-N 0 1 293.382 3.691 20 0 CHADMN Cc1cccc(COC(=O)[C@H](C(C)C)N2CCCCC2)c1 ZINC000741012147 1129426649 /nfs/dbraw/zinc/42/66/49/1129426649.db2.gz JMTIYSBIZLVNNM-KRWDZBQOSA-N 0 1 289.419 3.549 20 0 CHADMN C[C@@H](C(=O)OC/C=C\c1ccccc1)N1CCCCCC1 ZINC000741033301 1129426776 /nfs/dbraw/zinc/42/67/76/1129426776.db2.gz PDVQKHFVJPSWCB-CKDIWJPDSA-N 0 1 287.403 3.508 20 0 CHADMN Fc1ccccc1-c1n[nH]c(SCC2CCCC2)n1 ZINC000643090728 1129427881 /nfs/dbraw/zinc/42/78/81/1129427881.db2.gz PEMBURNSVDQAFG-UHFFFAOYSA-N 0 1 277.368 3.893 20 0 CHADMN CC[C@@H]1CN(Cc2nccc3ccccc32)C[C@H](CC)O1 ZINC000643294958 1129436143 /nfs/dbraw/zinc/43/61/43/1129436143.db2.gz YNZBSNWIYRFEEJ-IYBDPMFKSA-N 0 1 284.403 3.624 20 0 CHADMN CCC[C@@H](NCc1ccc2cnn(C)c2c1)c1ccccn1 ZINC000643318660 1129438040 /nfs/dbraw/zinc/43/80/40/1129438040.db2.gz CMNYKYVIQMASCL-MRXNPFEDSA-N 0 1 294.402 3.599 20 0 CHADMN COc1cccc2ccc(NC(=N)C(C)(C)C)nc21 ZINC001155181065 1129444532 /nfs/dbraw/zinc/44/45/32/1129444532.db2.gz FZDQKUBVAIVVHG-UHFFFAOYSA-N 0 1 257.337 3.679 20 0 CHADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000094525533 1129447000 /nfs/dbraw/zinc/44/70/00/1129447000.db2.gz KNXJTELBEUJNJC-KRWDZBQOSA-N 0 1 287.403 3.783 20 0 CHADMN COc1cccc2cc(CNc3nccn3CC(C)C)oc21 ZINC000795806313 1129449871 /nfs/dbraw/zinc/44/98/71/1129449871.db2.gz UMPJJRNPLJVTRD-UHFFFAOYSA-N 0 1 299.374 3.906 20 0 CHADMN CCSCCN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000741783455 1129453300 /nfs/dbraw/zinc/45/33/00/1129453300.db2.gz AKODXHWNKVUZNR-FMKPAKJESA-N 0 1 279.449 3.590 20 0 CHADMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CCCCF ZINC000795909700 1129457272 /nfs/dbraw/zinc/45/72/72/1129457272.db2.gz SZDTVGIOLYFJQF-FMKPAKJESA-N 0 1 265.372 3.587 20 0 CHADMN CCN(Cc1ccc(C)c(C)c1)Cc1cccc(OC)n1 ZINC001137535536 1131375986 /nfs/dbraw/zinc/37/59/86/1131375986.db2.gz UXSFRQCZVKINJZ-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN COc1cc(C)c(-c2ccc3nc[nH]c3c2)cc1C ZINC001241135449 1129462731 /nfs/dbraw/zinc/46/27/31/1129462731.db2.gz NPZUZPXXLMJINN-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN CC(C)O[C@H](CN1CC[C@H](C)[C@@H](F)C1)c1ccccc1 ZINC000644682233 1129474173 /nfs/dbraw/zinc/47/41/73/1129474173.db2.gz XJOBEXNKGBQPMM-BHYGNILZSA-N 0 1 279.399 3.833 20 0 CHADMN CC(C)c1nc(CN2CCc3ccccc3[C@@H]2C(C)C)n[nH]1 ZINC000644673610 1129474358 /nfs/dbraw/zinc/47/43/58/1129474358.db2.gz OIHDADSBHRYXLM-KRWDZBQOSA-N 0 1 298.434 3.684 20 0 CHADMN CC(C)c1nc(CN2CCc3ccccc3[C@H]2C(C)C)n[nH]1 ZINC000644673611 1129474384 /nfs/dbraw/zinc/47/43/84/1129474384.db2.gz OIHDADSBHRYXLM-QGZVFWFLSA-N 0 1 298.434 3.684 20 0 CHADMN CC(C)O[C@H](CN1CC[C@H](C)[C@H](F)C1)c1ccccc1 ZINC000644682244 1129474390 /nfs/dbraw/zinc/47/43/90/1129474390.db2.gz XJOBEXNKGBQPMM-USXIJHARSA-N 0 1 279.399 3.833 20 0 CHADMN CCOc1cccc(CNCc2c(C)cccc2F)c1 ZINC000742381106 1129476095 /nfs/dbraw/zinc/47/60/95/1129476095.db2.gz OVJCXBKYGPHWCI-UHFFFAOYSA-N 0 1 273.351 3.823 20 0 CHADMN Fc1ccc(F)c(CN2CCC(C3CC3)CC2)c1 ZINC000644719186 1129476669 /nfs/dbraw/zinc/47/66/69/1129476669.db2.gz QXKZRQUCAHHNOJ-UHFFFAOYSA-N 0 1 251.320 3.587 20 0 CHADMN CCCCC[C@@H](CCC)NCc1nc(C2CC2)no1 ZINC001258665277 1129478084 /nfs/dbraw/zinc/47/80/84/1129478084.db2.gz WUJWBWGKDFVQPF-CYBMUJFWSA-N 0 1 265.401 3.786 20 0 CHADMN CCC/C(C)=C\C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000742400755 1129478407 /nfs/dbraw/zinc/47/84/07/1129478407.db2.gz KCTFICGQCLHVBA-IKESIWSLSA-N 0 1 292.423 3.525 20 0 CHADMN CC(C)[C@@H](C(=O)NOCc1ccccc1)c1ccccc1 ZINC000742489555 1129482035 /nfs/dbraw/zinc/48/20/35/1129482035.db2.gz NLIQIUHTMXRMNA-QGZVFWFLSA-N 0 1 283.371 3.674 20 0 CHADMN [O-]c1cccc(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)c1Cl ZINC000645157388 1129489372 /nfs/dbraw/zinc/48/93/72/1129489372.db2.gz WDBBZHIJHKKZLQ-HUUCEWRRSA-N 0 1 287.790 3.766 20 0 CHADMN CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1cccc([O-])c1Cl ZINC000645160845 1129489380 /nfs/dbraw/zinc/48/93/80/1129489380.db2.gz LTEARERIZLVONY-CJNGLKHVSA-N 0 1 297.826 3.586 20 0 CHADMN [O-]c1cccc(C[NH2+]CCc2ccc(F)c(F)c2)c1Cl ZINC000645175783 1129490119 /nfs/dbraw/zinc/49/01/19/1129490119.db2.gz JTORMRAIDWUMHP-UHFFFAOYSA-N 0 1 297.732 3.656 20 0 CHADMN CCCCC[C@@H](CCC)N1CC2(C1)CC(F)(F)CO2 ZINC001258674366 1129490990 /nfs/dbraw/zinc/49/09/90/1129490990.db2.gz WDSGWUPYTQQJKZ-CYBMUJFWSA-N 0 1 275.383 3.845 20 0 CHADMN c1ccc2c(c1)n[nH]c2CNc1ccc([C@@H]2CCOC2)cc1 ZINC000645211318 1129491582 /nfs/dbraw/zinc/49/15/82/1129491582.db2.gz JCJWCUAHLKIPMV-CQSZACIVSA-N 0 1 293.370 3.679 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)CN(CCC[C@@H]1CCOC1)CC3 ZINC000645827263 1129508220 /nfs/dbraw/zinc/50/82/20/1129508220.db2.gz SXISHGJCRGHCHT-OAHLLOKOSA-N 0 1 298.430 3.651 20 0 CHADMN FC(F)(F)[C@H]1CN(CC2=CCCC2)C[C@@H]1C(F)(F)F ZINC000645811025 1129508320 /nfs/dbraw/zinc/50/83/20/1129508320.db2.gz QSRZCUHOHWYCFI-UWVGGRQHSA-N 0 1 287.247 3.769 20 0 CHADMN CCn1ccnc1[C@H]1CCCCN1CC1=CCCC1 ZINC000645897052 1129511646 /nfs/dbraw/zinc/51/16/46/1129511646.db2.gz RWFNKIFFNGZWBQ-OAHLLOKOSA-N 0 1 259.397 3.540 20 0 CHADMN COc1ccccc1C1(NCc2ccc(C)cc2)CC1 ZINC000645998718 1129515999 /nfs/dbraw/zinc/51/59/99/1129515999.db2.gz SAVBTJOQMUQYDB-UHFFFAOYSA-N 0 1 267.372 3.783 20 0 CHADMN [O-]c1cccc(C[N@@H+](C2CC2)C2CCCC2)c1Cl ZINC000646052893 1129520159 /nfs/dbraw/zinc/52/01/59/1129520159.db2.gz BNGKSJOFKQVWPY-UHFFFAOYSA-N 0 1 265.784 3.953 20 0 CHADMN [O-]c1cccc(C[N@H+](C2CC2)C2CCCC2)c1Cl ZINC000646052893 1129520157 /nfs/dbraw/zinc/52/01/57/1129520157.db2.gz BNGKSJOFKQVWPY-UHFFFAOYSA-N 0 1 265.784 3.953 20 0 CHADMN CCN(CC(C)C)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743353042 1129520498 /nfs/dbraw/zinc/52/04/98/1129520498.db2.gz SITVFJNRPXRHFN-OAHLLOKOSA-N 0 1 294.826 3.549 20 0 CHADMN CCC[C@@H]1CC(=O)N(CN(Cc2ccccc2)C(C)C)C1 ZINC000743347212 1129521876 /nfs/dbraw/zinc/52/18/76/1129521876.db2.gz KTDFALIUHAYLBF-QGZVFWFLSA-N 0 1 288.435 3.503 20 0 CHADMN Cc1nc([C@H](C)N2CC3(CC=CC3)[C@H]2c2ccccc2)n[nH]1 ZINC000646118505 1129523909 /nfs/dbraw/zinc/52/39/09/1129523909.db2.gz LHGHDOKVXXVXEV-XJKSGUPXSA-N 0 1 294.402 3.567 20 0 CHADMN Nc1ncccc1CN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646118285 1129524787 /nfs/dbraw/zinc/52/47/87/1129524787.db2.gz HVNBUNGDUKHOIQ-KRWDZBQOSA-N 0 1 291.398 3.557 20 0 CHADMN C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)CC2(CCCC2)O1 ZINC000646135664 1129525411 /nfs/dbraw/zinc/52/54/11/1129525411.db2.gz WLMQRNSEHMZWKV-CVEARBPZSA-N 0 1 293.451 3.512 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NC1(c2cccc(Cl)c2)CC1 ZINC000181114806 1129535756 /nfs/dbraw/zinc/53/57/56/1129535756.db2.gz YHDFJSLDYQKAJD-SNVBAGLBSA-N 0 1 275.783 3.711 20 0 CHADMN C(=C/c1ccccc1)\CNCc1nc2c(s1)CCCC2 ZINC000719549274 1129536299 /nfs/dbraw/zinc/53/62/99/1129536299.db2.gz FNHMTEVRJFRRJN-RMKNXTFCSA-N 0 1 284.428 3.825 20 0 CHADMN Cc1n[nH]cc1[C@H](C)NC1(c2cccc(Cl)c2)CC1 ZINC000181114829 1129536347 /nfs/dbraw/zinc/53/63/47/1129536347.db2.gz YHDFJSLDYQKAJD-JTQLQIEISA-N 0 1 275.783 3.711 20 0 CHADMN CC(C)=CCNCc1c(Cl)nc2cc(Cl)ccn21 ZINC000796359609 1129548308 /nfs/dbraw/zinc/54/83/08/1129548308.db2.gz HNTKTIQEPTYFNV-UHFFFAOYSA-N 0 1 284.190 3.697 20 0 CHADMN CC(C)C[C@H](N)c1noc(C[C@H](C)CC(C)(C)C)n1 ZINC000647133292 1129551751 /nfs/dbraw/zinc/55/17/51/1129551751.db2.gz YEUOLCKKUOQQJN-RYUDHWBXSA-N 0 1 267.417 3.730 20 0 CHADMN CC[C@H](Cc1nc([C@H]2CCCN2)no1)c1ccc(C)cc1 ZINC000647149766 1129551855 /nfs/dbraw/zinc/55/18/55/1129551855.db2.gz RDVVYCOMDZWUQA-UKRRQHHQSA-N 0 1 285.391 3.539 20 0 CHADMN CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc([C@@H]2CCCN2)no1 ZINC000647149070 1129551925 /nfs/dbraw/zinc/55/19/25/1129551925.db2.gz CYGXMTGWNAKQBS-CRWXNKLISA-N 0 1 293.411 3.541 20 0 CHADMN c1cc(C2CCCC2)ccc1-c1nc([C@H]2CCCN2)no1 ZINC000647145345 1129552073 /nfs/dbraw/zinc/55/20/73/1129552073.db2.gz SXWHJVUISJBRAA-OAHLLOKOSA-N 0 1 283.375 3.819 20 0 CHADMN CC(C)(CCCc1ccccc1)c1nc([C@@H]2CCCN2)no1 ZINC000647148990 1129552328 /nfs/dbraw/zinc/55/23/28/1129552328.db2.gz AYVSQZVICFAITJ-HNNXBMFYSA-N 0 1 299.418 3.795 20 0 CHADMN C/C(=C\c1nc([C@H]2CCCN2)no1)c1ccccc1Cl ZINC000647150994 1129552575 /nfs/dbraw/zinc/55/25/75/1129552575.db2.gz SYCITTVWTZGFEK-WTNCMQEWSA-N 0 1 289.766 3.708 20 0 CHADMN Cc1cc(C)c(/C=C\c2nc([C@H]3CCCN3)no2)cc1C ZINC000647152603 1129552650 /nfs/dbraw/zinc/55/26/50/1129552650.db2.gz JFALTYJZYUFCGP-IDTUSYRASA-N 0 1 283.375 3.590 20 0 CHADMN Fc1ccccc1-c1ccc(-c2nc([C@H]3CCCN3)no2)o1 ZINC000647154837 1129552850 /nfs/dbraw/zinc/55/28/50/1129552850.db2.gz LJQMGMRFYQTDBO-GFCCVEGCSA-N 0 1 299.305 3.560 20 0 CHADMN Cc1c(-c2nc([C@@H]3CCCN3)no2)oc2c1c(C)ccc2C ZINC000647152044 1129553087 /nfs/dbraw/zinc/55/30/87/1129553087.db2.gz VZQLJNTWFZMTHC-LBPRGKRZSA-N 0 1 297.358 3.833 20 0 CHADMN COc1ncncc1CN[C@H](CC(C)C)c1ccccc1C ZINC000647182552 1129555242 /nfs/dbraw/zinc/55/52/42/1129555242.db2.gz IMYQKBYDEYRTTR-QGZVFWFLSA-N 0 1 299.418 3.671 20 0 CHADMN c1cc(O[C@H]2CCOC2)cc(NCCC2=CCCCC2)n1 ZINC001168773849 1129555759 /nfs/dbraw/zinc/55/57/59/1129555759.db2.gz AVGYOTVOZARXMY-INIZCTEOSA-N 0 1 288.391 3.552 20 0 CHADMN CC(C)n1cncc1CNC1(c2cccc(F)c2)CCC1 ZINC000647232842 1129558819 /nfs/dbraw/zinc/55/88/19/1129558819.db2.gz HDUSFTDQJGPOKD-UHFFFAOYSA-N 0 1 287.382 3.772 20 0 CHADMN Cn1cc2c(n1)CCC[C@@H]2NC1(c2ccccc2F)CCC1 ZINC000647332692 1129570540 /nfs/dbraw/zinc/57/05/40/1129570540.db2.gz CKJQCHDSJAEFQE-INIZCTEOSA-N 0 1 299.393 3.606 20 0 CHADMN Cc1cccc(C2(N[C@@H](C)c3nccnc3C)CCC2)c1 ZINC000647333286 1129570691 /nfs/dbraw/zinc/57/06/91/1129570691.db2.gz PHACGGWNGSFCPG-HNNXBMFYSA-N 0 1 281.403 3.823 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccccc1F)c1ccsc1 ZINC000647346042 1129572512 /nfs/dbraw/zinc/57/25/12/1129572512.db2.gz QOOFZJGVJBVUHJ-IAQYHMDHSA-N 0 1 279.380 3.662 20 0 CHADMN CC[C@@H](N[C@H](CCO)c1ccccc1F)c1ccccc1 ZINC000647346700 1129572740 /nfs/dbraw/zinc/57/27/40/1129572740.db2.gz ZQHJZUSTBIFBFJ-QZTJIDSGSA-N 0 1 287.378 3.990 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](CCO)c1ccccc1F)CC2 ZINC000647345921 1129573013 /nfs/dbraw/zinc/57/30/13/1129573013.db2.gz PFULPZZRNUFZKS-RBUKOAKNSA-N 0 1 299.389 3.835 20 0 CHADMN Cc1cc([C@H](C)NC2(c3ccc(C)cc3)CCC2)nn1C ZINC000647353375 1129574672 /nfs/dbraw/zinc/57/46/72/1129574672.db2.gz XCCVDPHLVUHTCF-HNNXBMFYSA-N 0 1 283.419 3.767 20 0 CHADMN CC1(C)CCN(CC(=O)Nc2ccc3ccccc3c2)C1 ZINC000744421389 1129577164 /nfs/dbraw/zinc/57/71/64/1129577164.db2.gz FNUXDLIVSNZELB-UHFFFAOYSA-N 0 1 282.387 3.510 20 0 CHADMN CC[C@H]1C[C@H](C)CN1Cn1ccn(C(C)C)c1=S ZINC000744442094 1129577763 /nfs/dbraw/zinc/57/77/63/1129577763.db2.gz WYKZVOHPWLOXNT-STQMWFEESA-N 0 1 267.442 3.678 20 0 CHADMN Cc1c(Cl)cc(NC(=O)CN(C)C(C)C)cc1Cl ZINC000647743531 1129584159 /nfs/dbraw/zinc/58/41/59/1129584159.db2.gz XMYGLXUSDAHGMJ-UHFFFAOYSA-N 0 1 289.206 3.581 20 0 CHADMN Fc1cccc(C2(NCc3ccc4c(n3)CCC4)CCC2)c1 ZINC000648055973 1129593730 /nfs/dbraw/zinc/59/37/30/1129593730.db2.gz JWCAEKNAEVBLOU-UHFFFAOYSA-N 0 1 296.389 3.878 20 0 CHADMN COCc1cccc(-c2ccc3c(c2)n[nH]c3C)c1 ZINC001241639991 1129594791 /nfs/dbraw/zinc/59/47/91/1129594791.db2.gz FTGGHTKQTJILBS-UHFFFAOYSA-N 0 1 252.317 3.685 20 0 CHADMN CC1(CC(F)F)CN(Cc2ccc3ncccc3c2)C1 ZINC000648058305 1129595180 /nfs/dbraw/zinc/59/51/80/1129595180.db2.gz CSBJUHKCAWWJJV-UHFFFAOYSA-N 0 1 276.330 3.712 20 0 CHADMN CCOc1ccccc1-c1nc(C(C)(C)C)nc2nc[nH]c21 ZINC001239557211 1131384211 /nfs/dbraw/zinc/38/42/11/1131384211.db2.gz HTCRKBPYKKMPNQ-UHFFFAOYSA-N 0 1 296.374 3.668 20 0 CHADMN C[C@H](COCC(F)(F)F)NCc1ccc(F)cc1Cl ZINC001649138524 1129596570 /nfs/dbraw/zinc/59/65/70/1129596570.db2.gz HMHMBUAEDRNVQR-MRVPVSSYSA-N 0 1 299.695 3.536 20 0 CHADMN C[C@H](NCc1ccc(Cl)cn1)c1ccc(F)cc1 ZINC000182113606 1129597405 /nfs/dbraw/zinc/59/74/05/1129597405.db2.gz JFSGOJOJHQPIKV-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN1C2CCC1CC2 ZINC000648212137 1129599098 /nfs/dbraw/zinc/59/90/98/1129599098.db2.gz DHPZPWVHWZYIJR-UHFFFAOYSA-N 0 1 274.389 3.838 20 0 CHADMN Cc1cc(CN2CC(c3nc4ccccc4[nH]3)C2)cs1 ZINC000648376461 1129604508 /nfs/dbraw/zinc/60/45/08/1129604508.db2.gz ZFIGKOCRHZEHSV-UHFFFAOYSA-N 0 1 283.400 3.532 20 0 CHADMN Cc1cnccc1C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000648376337 1129604729 /nfs/dbraw/zinc/60/47/29/1129604729.db2.gz QVKJSPJKKWYJEC-ZDUSSCGKSA-N 0 1 270.351 3.648 20 0 CHADMN Cc1cnccc1CN1CCc2cc(F)ccc2[C@@H]1C ZINC000648376337 1129604730 /nfs/dbraw/zinc/60/47/30/1129604730.db2.gz QVKJSPJKKWYJEC-ZDUSSCGKSA-N 0 1 270.351 3.648 20 0 CHADMN Cc1nc2cncc(NCCC3=CCCCC3)c2[nH]1 ZINC001168775382 1129605332 /nfs/dbraw/zinc/60/53/32/1129605332.db2.gz OUZBUZVSWYXAHK-UHFFFAOYSA-N 0 1 256.353 3.569 20 0 CHADMN Cc1nnc(CN[C@@H]2CC[C@H](CCC(C)C)C2)s1 ZINC000648509803 1129609748 /nfs/dbraw/zinc/60/97/48/1129609748.db2.gz CHGHBAZQKRYKRS-QWHCGFSZSA-N 0 1 267.442 3.541 20 0 CHADMN C[C@H](N[C@H](CCO)c1cccs1)c1ccc(F)c(F)c1 ZINC000746049969 1129623413 /nfs/dbraw/zinc/62/34/13/1129623413.db2.gz ZGKXZZXXQFAOSZ-IINYFYTJSA-N 0 1 297.370 3.801 20 0 CHADMN C[C@@H](NCc1nc2cc(F)ccc2n1C)c1ccccc1 ZINC000746049564 1129623535 /nfs/dbraw/zinc/62/35/35/1129623535.db2.gz QVJLCRVKBLBYBM-GFCCVEGCSA-N 0 1 283.350 3.563 20 0 CHADMN CSc1ccccc1C[C@H](C)NCc1cscn1 ZINC000183473138 1129626088 /nfs/dbraw/zinc/62/60/88/1129626088.db2.gz GHTOUSYEMIWIKN-NSHDSACASA-N 0 1 278.446 3.586 20 0 CHADMN FC(F)Oc1ccccc1-c1cncc2cc[nH]c21 ZINC001241952198 1129638662 /nfs/dbraw/zinc/63/86/62/1129638662.db2.gz QOGAKMLBDNCIEC-UHFFFAOYSA-N 0 1 260.243 3.831 20 0 CHADMN CCCc1ccc(CN[C@H](C)c2ccncc2OC)cc1 ZINC000189553522 1129639356 /nfs/dbraw/zinc/63/93/56/1129639356.db2.gz CUBCCRHXUODWIO-CQSZACIVSA-N 0 1 284.403 3.894 20 0 CHADMN CN(C)Cc1ccc(-c2ccc3c(c2)CCC3=O)cc1F ZINC000649437819 1129648575 /nfs/dbraw/zinc/64/85/75/1129648575.db2.gz GBHGJKZFQDFBIC-UHFFFAOYSA-N 0 1 283.346 3.683 20 0 CHADMN COc1ccc(-c2ccc(CN(C)C)c(F)c2)cc1 ZINC000649437967 1129648654 /nfs/dbraw/zinc/64/86/54/1129648654.db2.gz NNOIGDYCCZASSE-UHFFFAOYSA-N 0 1 259.324 3.563 20 0 CHADMN Fc1cc(Br)ccc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000383094905 1129650548 /nfs/dbraw/zinc/65/05/48/1129650548.db2.gz MHGBDDMZSRLBPY-HZMBPMFUSA-N 0 1 298.199 3.963 20 0 CHADMN C[C@H](N[C@@H]1CCCc2cccnc21)c1ccc2c(c1)OCO2 ZINC000387457598 1129654018 /nfs/dbraw/zinc/65/40/18/1129654018.db2.gz BIHCVJNUFLFBOP-SWLSCSKDSA-N 0 1 296.370 3.539 20 0 CHADMN Cc1nc(CN[C@H]2CCc3cc(C)ccc32)sc1C ZINC000766351576 1129658388 /nfs/dbraw/zinc/65/83/88/1129658388.db2.gz BQOKXSHFSJMDRC-HNNXBMFYSA-N 0 1 272.417 3.845 20 0 CHADMN c1c(CN[C@@H](CC2CC2)c2ccccc2)nn2c1CCCC2 ZINC000649575287 1129659359 /nfs/dbraw/zinc/65/93/59/1129659359.db2.gz KMRWZUJICDHEFY-IBGZPJMESA-N 0 1 295.430 3.850 20 0 CHADMN COc1cc([C@H](C)NCCF)ccc1SC(F)F ZINC000798000570 1129667826 /nfs/dbraw/zinc/66/78/26/1129667826.db2.gz ZVAFBTLLZSZGNI-QMMMGPOBSA-N 0 1 279.327 3.630 20 0 CHADMN Cc1nc(C)c(CN(C)[C@@H](C)CSc2ccccc2)o1 ZINC000649666286 1129668330 /nfs/dbraw/zinc/66/83/30/1129668330.db2.gz MDTFTYMUARINGI-LBPRGKRZSA-N 0 1 290.432 3.904 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)CSc2ccccc2)on1 ZINC000649664806 1129668437 /nfs/dbraw/zinc/66/84/37/1129668437.db2.gz SQGJNBGTEZLAHU-ZDUSSCGKSA-N 0 1 276.405 3.596 20 0 CHADMN C[C@H]1CCCCC[N@H+]1Cn1ccc(-c2ccsc2)n1 ZINC000738221823 1129668523 /nfs/dbraw/zinc/66/85/23/1129668523.db2.gz DELUKXZWOQNPAE-ZDUSSCGKSA-N 0 1 275.421 3.834 20 0 CHADMN Fc1cccc(CN2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000649711770 1129672939 /nfs/dbraw/zinc/67/29/39/1129672939.db2.gz QJMWXHOZUANZMC-UHFFFAOYSA-N 0 1 291.263 3.692 20 0 CHADMN CC[C@@H]1CN(Cc2cc(C)nc3ccccc23)[C@@H](C)CO1 ZINC000649734485 1129673894 /nfs/dbraw/zinc/67/38/94/1129673894.db2.gz XOTLTNXXTURALL-GOEBONIOSA-N 0 1 284.403 3.543 20 0 CHADMN Cc1ccc(F)c(CN2CCC3(CC3(F)F)CC2)c1 ZINC000649773048 1129676702 /nfs/dbraw/zinc/67/67/02/1129676702.db2.gz HNNYAKVFJYEIGN-UHFFFAOYSA-N 0 1 269.310 3.755 20 0 CHADMN C[C@@H](CO)C1CCN([C@@H](C)c2cccc(Cl)c2F)CC1 ZINC000649798912 1129678342 /nfs/dbraw/zinc/67/83/42/1129678342.db2.gz KSJAZIOMRXSEAO-RYUDHWBXSA-N 0 1 299.817 3.881 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1CCC([C@H](C)CO)CC1 ZINC000649803871 1129678578 /nfs/dbraw/zinc/67/85/78/1129678578.db2.gz RNFLHFRPPIIZKB-VXGBXAGGSA-N 0 1 299.817 3.881 20 0 CHADMN Cc1nnc([C@H](C)N2CCc3ccccc3[C@H](C)C2)s1 ZINC000649835581 1129681498 /nfs/dbraw/zinc/68/14/98/1129681498.db2.gz LUOPOIOYBNHAES-NEPJUHHUSA-N 0 1 287.432 3.569 20 0 CHADMN COc1ccc(Cl)c(CN2CC[C@@]3(CC3(F)F)C2)c1 ZINC000649908465 1129686158 /nfs/dbraw/zinc/68/61/58/1129686158.db2.gz OVZXLDMZRWNVNV-CYBMUJFWSA-N 0 1 287.737 3.580 20 0 CHADMN CC(C)C[C@H](Cc1ccccc1)NCC(C)(F)F ZINC001169049891 1129691909 /nfs/dbraw/zinc/69/19/09/1129691909.db2.gz KWLUFHDPAKNVBJ-CQSZACIVSA-N 0 1 255.352 3.889 20 0 CHADMN Cc1ccc(NC(=O)CN2CC[C@H](C)C(C)(C)C2)cc1C ZINC001169091335 1129699921 /nfs/dbraw/zinc/69/99/21/1129699921.db2.gz NLOTWAZDWZQKEW-HNNXBMFYSA-N 0 1 288.435 3.610 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCC12CC3CC(CC(C3)C1)C2 ZINC000650503231 1129711855 /nfs/dbraw/zinc/71/18/55/1129711855.db2.gz TZSCFPIDDUMHIA-CDJLDAARSA-N 0 1 291.435 3.530 20 0 CHADMN Cc1ccc(C)c(N[C@@H](C2CCC2)C(F)(F)F)n1 ZINC001169281222 1129714338 /nfs/dbraw/zinc/71/43/38/1129714338.db2.gz HZHHGZNRNHZCSD-NSHDSACASA-N 0 1 258.287 3.841 20 0 CHADMN C[C@]1(CN(Cc2ccccn2)C2CC2)CC1(Cl)Cl ZINC000828610664 1131392776 /nfs/dbraw/zinc/39/27/76/1131392776.db2.gz SHRKAJJSONOPKU-CYBMUJFWSA-N 0 1 285.218 3.630 20 0 CHADMN C[N@@H+](CC[C@@H]1CC1(Cl)Cl)Cc1ccc(Cl)nc1 ZINC000822669327 1131393169 /nfs/dbraw/zinc/39/31/69/1131393169.db2.gz VOHLKXMUITVOQE-SNVBAGLBSA-N 0 1 293.625 3.751 20 0 CHADMN C[C@@H]1C[C@@H](Nc2ccc3nc[nH]c3n2)c2ccccc21 ZINC001169367000 1129720699 /nfs/dbraw/zinc/72/06/99/1129720699.db2.gz ZGMMSSSGRVOPCS-QMTHXVAHSA-N 0 1 264.332 3.618 20 0 CHADMN O=C([O-])C[N@H+](Cc1ccc(C2CCCC2)cc1)CC1CC1 ZINC000650799339 1129722787 /nfs/dbraw/zinc/72/27/87/1129722787.db2.gz ZZHQRISNOLWKPZ-UHFFFAOYSA-N 0 1 287.403 3.641 20 0 CHADMN C[C@@H]1C[C@@H](Nc2cccc(CN(C)C)n2)c2ccccc21 ZINC001169379636 1129723070 /nfs/dbraw/zinc/72/30/70/1129723070.db2.gz XRTKNYUDPZPJFH-CXAGYDPISA-N 0 1 281.403 3.804 20 0 CHADMN CCCCC[C@H](C(=O)N[C@H]1CCCc2cn[nH]c21)C(C)C ZINC000766693416 1129725683 /nfs/dbraw/zinc/72/56/83/1129725683.db2.gz UWKNYJIAONPFEH-GJZGRUSLSA-N 0 1 291.439 3.756 20 0 CHADMN CCCCC[C@@H](C(=O)N[C@@H]1CCCc2cn[nH]c21)C(C)C ZINC000766693419 1129725855 /nfs/dbraw/zinc/72/58/55/1129725855.db2.gz UWKNYJIAONPFEH-HUUCEWRRSA-N 0 1 291.439 3.756 20 0 CHADMN CCCCCC[C@H](CC)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000766694500 1129725941 /nfs/dbraw/zinc/72/59/41/1129725941.db2.gz YCHOOMJJHGSPJA-DZGCQCFKSA-N 0 1 291.439 3.900 20 0 CHADMN CC[C@H](C)c1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000766693002 1129725963 /nfs/dbraw/zinc/72/59/63/1129725963.db2.gz RJWRASXWRCHGTQ-LRDDRELGSA-N 0 1 297.402 3.731 20 0 CHADMN Cc1ccc2c(ccnc2N[C@H](C)c2cnccn2)c1 ZINC001169512792 1129731238 /nfs/dbraw/zinc/73/12/38/1129731238.db2.gz BLJXWTAGAHFQIX-GFCCVEGCSA-N 0 1 264.332 3.506 20 0 CHADMN CCc1nnc(SCCO[C@@H](CC)c2ccccc2)[nH]1 ZINC000651186502 1129731944 /nfs/dbraw/zinc/73/19/44/1129731944.db2.gz VPOGFRFXMRSYFJ-ZDUSSCGKSA-N 0 1 291.420 3.627 20 0 CHADMN CCc1n[nH]c(SCCO[C@@H](CC)c2ccccc2)n1 ZINC000651186502 1129731946 /nfs/dbraw/zinc/73/19/46/1129731946.db2.gz VPOGFRFXMRSYFJ-ZDUSSCGKSA-N 0 1 291.420 3.627 20 0 CHADMN Cc1c2nc[nH]c2ccc1NC[C@H](C)c1ccc(O)cc1 ZINC001169540005 1129734166 /nfs/dbraw/zinc/73/41/66/1129734166.db2.gz SAGZIQQAHJLJNR-NSHDSACASA-N 0 1 281.359 3.793 20 0 CHADMN Cc1cnc(NC[C@@H](C)c2ccc(O)cc2)c2[nH]ccc21 ZINC001169536171 1129734606 /nfs/dbraw/zinc/73/46/06/1129734606.db2.gz UDSAMYZOONNDQC-LLVKDONJSA-N 0 1 281.359 3.793 20 0 CHADMN c1cc2cc(NCc3noc4c3CCCC4)ccc2cn1 ZINC000651271426 1129735592 /nfs/dbraw/zinc/73/55/92/1129735592.db2.gz HJBHWIYVYUSMAU-UHFFFAOYSA-N 0 1 279.343 3.714 20 0 CHADMN COc1cccnc1CN[C@H]1c2ccccc2CC[C@@H]1C ZINC000651475345 1129740606 /nfs/dbraw/zinc/74/06/06/1129740606.db2.gz LYRRWOSRNFWFPZ-SCLBCKFNSA-N 0 1 282.387 3.503 20 0 CHADMN Cn1cccc1[C@@H]1CCCCN1Cc1cc2cnccc2o1 ZINC000651649737 1129742420 /nfs/dbraw/zinc/74/24/20/1129742420.db2.gz SNYWBDJLZUHHNO-KRWDZBQOSA-N 0 1 295.386 3.894 20 0 CHADMN COc1cc(OC)c(CN[C@H](C)c2ccccc2)cc1F ZINC000651667734 1129743833 /nfs/dbraw/zinc/74/38/33/1129743833.db2.gz PRJJSBREYRNXNX-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN CC[C@@H](C)C[C@H](CC)NC(CC)(CC)C(=O)OC ZINC001258787023 1129744146 /nfs/dbraw/zinc/74/41/46/1129744146.db2.gz DLEBVLJHRFXAIU-OLZOCXBDSA-N 0 1 257.418 3.523 20 0 CHADMN Fc1ccc2c(c1Cl)[C@@H](NC1CC(F)(F)C1)CC2 ZINC000651786455 1129748501 /nfs/dbraw/zinc/74/85/01/1129748501.db2.gz YWNRQQZRKJIROL-JTQLQIEISA-N 0 1 275.701 3.854 20 0 CHADMN Fc1ccc2c(c1Cl)[C@H](NC1CC(F)(F)C1)CC2 ZINC000651786456 1129748977 /nfs/dbraw/zinc/74/89/77/1129748977.db2.gz YWNRQQZRKJIROL-SNVBAGLBSA-N 0 1 275.701 3.854 20 0 CHADMN CC(C)c1nc(CN2CC(C(C)C)C2)c2ccccn21 ZINC000651789844 1129749033 /nfs/dbraw/zinc/74/90/33/1129749033.db2.gz ATMKIRQCTQZSTJ-UHFFFAOYSA-N 0 1 271.408 3.546 20 0 CHADMN C[C@H]1CN(Cc2ccc3occc3c2)C2(CCC2)CO1 ZINC000651974596 1129753652 /nfs/dbraw/zinc/75/36/52/1129753652.db2.gz JAIWUUQBRBRGIT-ZDUSSCGKSA-N 0 1 271.360 3.576 20 0 CHADMN Cc1cn[nH]c1CNc1ccc2c(c1)CCCCC2 ZINC000651964351 1129753835 /nfs/dbraw/zinc/75/38/35/1129753835.db2.gz RIOZSINSJPVIHY-UHFFFAOYSA-N 0 1 255.365 3.599 20 0 CHADMN Cc1ccc2sc(CN3CCC[C@H](C)C3)nc2c1 ZINC001169799494 1129756200 /nfs/dbraw/zinc/75/62/00/1129756200.db2.gz CTRJFIJJHPOTNG-LBPRGKRZSA-N 0 1 260.406 3.837 20 0 CHADMN Cc1cc(CN[C@@H](CC(C)C)c2ccc(F)cc2)ncn1 ZINC000652171590 1129758975 /nfs/dbraw/zinc/75/89/75/1129758975.db2.gz QYVPRKGRITVQJT-KRWDZBQOSA-N 0 1 287.382 3.801 20 0 CHADMN COc1ccc([C@@H](NCC[C@H](C)F)c2ccccn2)cc1 ZINC000652202126 1129758991 /nfs/dbraw/zinc/75/89/91/1129758991.db2.gz ATHYUENPFJPIMG-SUMWQHHRSA-N 0 1 288.366 3.517 20 0 CHADMN O=C([O-])c1ccccc1CC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000652399404 1129764669 /nfs/dbraw/zinc/76/46/69/1129764669.db2.gz HKMYRKBFDLRPAG-KRWDZBQOSA-N 0 1 287.403 3.582 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)CCCCc1ccccc1 ZINC000652396695 1129764685 /nfs/dbraw/zinc/76/46/85/1129764685.db2.gz PHZPTPFEKDOMBR-INIZCTEOSA-N 0 1 277.408 3.585 20 0 CHADMN Cc1cc(C)cc([C@@H]2CC[N@@H+](CCCCCC(=O)[O-])C2)c1 ZINC000652443765 1129764914 /nfs/dbraw/zinc/76/49/14/1129764914.db2.gz YICMXNLJTVPFGM-MRXNPFEDSA-N 0 1 289.419 3.738 20 0 CHADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+](C)C[C@H](C)c1ccccc1 ZINC000652409226 1129765208 /nfs/dbraw/zinc/76/52/08/1129765208.db2.gz ZPSXLWRAXBMGPH-YJBOKZPZSA-N 0 1 297.398 3.856 20 0 CHADMN CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000652450927 1129765723 /nfs/dbraw/zinc/76/57/23/1129765723.db2.gz LQUFXWIMTKIARW-JSGCOSHPSA-N 0 1 291.391 3.626 20 0 CHADMN Cc1c(C)c(C)c(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]2C)c(C)c1C ZINC000652504022 1129765843 /nfs/dbraw/zinc/76/58/43/1129765843.db2.gz STWRSMLBCLFERI-CVEARBPZSA-N 0 1 289.419 3.524 20 0 CHADMN Cc1cccc(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)c1F ZINC001137675906 1131397125 /nfs/dbraw/zinc/39/71/25/1131397125.db2.gz BEZWMOXJXUQQBW-GOSISDBHSA-N 0 1 299.389 3.925 20 0 CHADMN Cc1cccc(CN2CC[C@@H](OCc3ccccc3)C2)c1F ZINC001137675906 1131397131 /nfs/dbraw/zinc/39/71/31/1131397131.db2.gz BEZWMOXJXUQQBW-GOSISDBHSA-N 0 1 299.389 3.925 20 0 CHADMN CSc1ccccc1[C@@H]1CCCN1Cc1cncnc1 ZINC001137670251 1131397341 /nfs/dbraw/zinc/39/73/41/1131397341.db2.gz GPAAVPIMBIHIGD-HNNXBMFYSA-N 0 1 285.416 3.536 20 0 CHADMN Cc1cccc(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)c1F ZINC001137675956 1131397623 /nfs/dbraw/zinc/39/76/23/1131397623.db2.gz DDANHIMADYQONR-GOSISDBHSA-N 0 1 298.405 3.623 20 0 CHADMN Cc1cccc(CN2CCN(C)[C@@H](c3ccccc3)C2)c1F ZINC001137675956 1131397627 /nfs/dbraw/zinc/39/76/27/1131397627.db2.gz DDANHIMADYQONR-GOSISDBHSA-N 0 1 298.405 3.623 20 0 CHADMN Cc1ccc(C(F)(F)F)nc1-c1cccc(F)c1O ZINC001242349560 1129788203 /nfs/dbraw/zinc/78/82/03/1129788203.db2.gz MQAAGUKTOXFFPI-UHFFFAOYSA-N 0 1 271.213 3.921 20 0 CHADMN CSc1nc2c(c(-c3cccc(F)c3O)n1)CCCC2 ZINC001242349826 1129790329 /nfs/dbraw/zinc/79/03/29/1129790329.db2.gz UUJGCWZQEHCDEN-UHFFFAOYSA-N 0 1 290.363 3.589 20 0 CHADMN CC(C)c1ncc(C[N@@H+](C)CCC(C)(C)C2CC2)cn1 ZINC000653661258 1129790729 /nfs/dbraw/zinc/79/07/29/1129790729.db2.gz IEUAOSRWTIFLRK-UHFFFAOYSA-N 0 1 275.440 3.858 20 0 CHADMN Cc1cc(-c2cccc(F)c2O)nc(-c2ccco2)n1 ZINC001242349948 1129790765 /nfs/dbraw/zinc/79/07/65/1129790765.db2.gz AANKEJDYFQDMGB-UHFFFAOYSA-N 0 1 270.263 3.557 20 0 CHADMN Cc1nc2ccc(CSc3ccc(Cl)nn3)cc2[nH]1 ZINC000767387004 1129791073 /nfs/dbraw/zinc/79/10/73/1129791073.db2.gz HKWWCZVJNBPBPS-UHFFFAOYSA-N 0 1 290.779 3.607 20 0 CHADMN Oc1c(F)cccc1-c1cncc(-c2cccs2)n1 ZINC001242351571 1129792068 /nfs/dbraw/zinc/79/20/68/1129792068.db2.gz WXCBZUJOQUAEAB-UHFFFAOYSA-N 0 1 272.304 3.717 20 0 CHADMN CCc1nocc1CN(C)CCCc1c(F)cccc1F ZINC000653704729 1129792933 /nfs/dbraw/zinc/79/29/33/1129792933.db2.gz DZGMKWOIAQXWDH-UHFFFAOYSA-N 0 1 294.345 3.580 20 0 CHADMN Cc1ccnc([C@H]2CCN(Cc3ccc(F)c(F)c3)C2)c1 ZINC000653746574 1129793707 /nfs/dbraw/zinc/79/37/07/1129793707.db2.gz AFYOMEWYHXKQEP-AWEZNQCLSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1ccnc([C@H]2CCN(Cc3c(F)cccc3F)C2)c1 ZINC000653749625 1129794031 /nfs/dbraw/zinc/79/40/31/1129794031.db2.gz PSIYPSXMHQDYLD-ZDUSSCGKSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1cc2oc(=O)cc(C[N@H+]3CCC(C)=C(C)C3)c2cc1C ZINC000796590234 1129794779 /nfs/dbraw/zinc/79/47/79/1129794779.db2.gz SHJYAKSMDDQAEW-UHFFFAOYSA-N 0 1 297.398 3.952 20 0 CHADMN CC1CCC(CN(C)Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000741792602 1129798152 /nfs/dbraw/zinc/79/81/52/1129798152.db2.gz BMTQXLSCVMEEBK-UHFFFAOYSA-N 0 1 299.418 3.594 20 0 CHADMN CC/C=C/CCN[C@@H](Cc1ccccc1)c1ncco1 ZINC000653913573 1129802008 /nfs/dbraw/zinc/80/20/08/1129802008.db2.gz VGYTWDIECUOVJO-CWDCEQMOSA-N 0 1 270.376 3.904 20 0 CHADMN FCCCCCN[C@@H](Cc1ccccc1)c1ncco1 ZINC000653913502 1129802253 /nfs/dbraw/zinc/80/22/53/1129802253.db2.gz SZRMMWWXHZANPU-HNNXBMFYSA-N 0 1 276.355 3.688 20 0 CHADMN CCN(CC)Cc1ccc(C(=O)N[C@@H](C)CC(C)(C)C)o1 ZINC000654647746 1129830279 /nfs/dbraw/zinc/83/02/79/1129830279.db2.gz WIZZECWJIWWJLW-ZDUSSCGKSA-N 0 1 294.439 3.676 20 0 CHADMN CC[C@H](C)[C@H](CN[C@H](C)c1c(F)cccc1F)OC ZINC000381261590 1129836491 /nfs/dbraw/zinc/83/64/91/1129836491.db2.gz FAPGHVJFJJBRIW-WDMOLILDSA-N 0 1 271.351 3.677 20 0 CHADMN Cc1cc(CNCc2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000381294003 1129836569 /nfs/dbraw/zinc/83/65/69/1129836569.db2.gz OQKAVUIXUNEZRQ-UHFFFAOYSA-N 0 1 276.361 3.563 20 0 CHADMN C[C@@H](N[C@@H]1CCc2c1cccc2O)c1ccc(C#N)c(F)c1 ZINC000271952682 1129838164 /nfs/dbraw/zinc/83/81/64/1129838164.db2.gz PBKGOWQTAYURRB-PIGZYNQJSA-N 0 1 296.345 3.741 20 0 CHADMN Cc1nc(C)c(CNCc2cscc2Cl)s1 ZINC000381419442 1129839875 /nfs/dbraw/zinc/83/98/75/1129839875.db2.gz WUTIGOLKLAXVDS-UHFFFAOYSA-N 0 1 272.826 3.765 20 0 CHADMN C[C@@H]1CN(Cc2cnn(C(C)(C)C)c2)Cc2ccccc21 ZINC000768195009 1129842902 /nfs/dbraw/zinc/84/29/02/1129842902.db2.gz IQOFYUJNJDSAGI-CQSZACIVSA-N 0 1 283.419 3.757 20 0 CHADMN Cc1cccn2c(CN3Cc4ccccc4[C@H](C)C3)cnc12 ZINC000768194559 1129843114 /nfs/dbraw/zinc/84/31/14/1129843114.db2.gz AXOWGOXJYBVVMS-OAHLLOKOSA-N 0 1 291.398 3.762 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2-c2ccccc2)CCO1 ZINC000768226960 1129843609 /nfs/dbraw/zinc/84/36/09/1129843609.db2.gz DKGJSGYLAGHVDT-OAHLLOKOSA-N 0 1 267.372 3.574 20 0 CHADMN C[C@@H](Cc1cccs1)NCc1nc(C(C)(C)C)co1 ZINC000724429868 1129852459 /nfs/dbraw/zinc/85/24/59/1129852459.db2.gz QLDCFKHPPMLYFD-NSHDSACASA-N 0 1 278.421 3.754 20 0 CHADMN CC(C)N(Cc1occc1Br)CC1CC1 ZINC000768672993 1129868449 /nfs/dbraw/zinc/86/84/49/1129868449.db2.gz GZGKAPAMKQSNBE-UHFFFAOYSA-N 0 1 272.186 3.663 20 0 CHADMN NC1(c2noc(-c3ccc(F)c(C(F)F)c3)n2)CCCC1 ZINC000900006051 1129856399 /nfs/dbraw/zinc/85/63/99/1129856399.db2.gz OJPCCUKRFJKSOE-UHFFFAOYSA-N 0 1 297.280 3.541 20 0 CHADMN Cc1cc(Cl)nc(CNCc2cccc3cnccc32)c1 ZINC000800285649 1129864382 /nfs/dbraw/zinc/86/43/82/1129864382.db2.gz NRPWPFBLNBNIFA-UHFFFAOYSA-N 0 1 297.789 3.881 20 0 CHADMN CC[C@@H]1CN(Cc2cccc(C(C)(C)C)c2)[C@@H](C)CO1 ZINC001460339543 1129865195 /nfs/dbraw/zinc/86/51/95/1129865195.db2.gz OKQUPKRMELKYSJ-WMLDXEAASA-N 0 1 275.436 3.983 20 0 CHADMN CCCC[C@@H](C)C(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000800402484 1129869956 /nfs/dbraw/zinc/86/99/56/1129869956.db2.gz ZNTRGDKQASKDOS-HUUCEWRRSA-N 0 1 293.407 3.614 20 0 CHADMN CCCC[C@@H](C)C(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000800402484 1129869961 /nfs/dbraw/zinc/86/99/61/1129869961.db2.gz ZNTRGDKQASKDOS-HUUCEWRRSA-N 0 1 293.407 3.614 20 0 CHADMN CCc1cccc(C)c1NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000900306494 1129876642 /nfs/dbraw/zinc/87/66/42/1129876642.db2.gz YRCPRBXXJBWQQS-BDJLRTHQSA-N 0 1 297.402 3.585 20 0 CHADMN Cn1nccc1[C@@H]1CCCN(Cc2cscc2Cl)C1 ZINC000768942445 1129880796 /nfs/dbraw/zinc/88/07/96/1129880796.db2.gz ZOIDHCAXXDAPHH-LLVKDONJSA-N 0 1 295.839 3.515 20 0 CHADMN Clc1ccc2[nH]cc(CN3CC4(CCC4)C3)c2c1 ZINC001137708098 1131404941 /nfs/dbraw/zinc/40/49/41/1131404941.db2.gz HTOQKMNPESHXLD-UHFFFAOYSA-N 0 1 260.768 3.807 20 0 CHADMN CN(Cc1occc1Br)C(C1CC1)C1CC1 ZINC000769192694 1129891905 /nfs/dbraw/zinc/89/19/05/1129891905.db2.gz SIDPTBPOPOJRSX-UHFFFAOYSA-N 0 1 284.197 3.663 20 0 CHADMN Cc1ccccc1[C@H]1CCN(Cc2coc(C3CC3)n2)C1 ZINC000769233938 1129897573 /nfs/dbraw/zinc/89/75/73/1129897573.db2.gz RWUCWCUVSQYWDY-HNNXBMFYSA-N 0 1 282.387 3.850 20 0 CHADMN CC(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001137714713 1131405987 /nfs/dbraw/zinc/40/59/87/1131405987.db2.gz WDFNAEYCFZURBW-GFCCVEGCSA-N 0 1 290.794 3.622 20 0 CHADMN CC(=O)[C@@H]1CCCN(Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001137714713 1131405992 /nfs/dbraw/zinc/40/59/92/1131405992.db2.gz WDFNAEYCFZURBW-GFCCVEGCSA-N 0 1 290.794 3.622 20 0 CHADMN CC(C)C[C@@H]1CCCCN1Cc1coc(C2CC2)n1 ZINC000769484822 1129909748 /nfs/dbraw/zinc/90/97/48/1129909748.db2.gz MBEFMUUUPRCRQQ-HNNXBMFYSA-N 0 1 262.397 3.953 20 0 CHADMN CCN(c1ccc(NC2CC(OC)C2)cc1)C(C)C ZINC000769472763 1129912461 /nfs/dbraw/zinc/91/24/61/1129912461.db2.gz BLNLDYRKRVPCJS-UHFFFAOYSA-N 0 1 262.397 3.511 20 0 CHADMN CC[C@@H](C)CN(CC)Cc1c(Cl)nc2ccccn21 ZINC000769537045 1129916272 /nfs/dbraw/zinc/91/62/72/1129916272.db2.gz HAEUGVDVBRIQRA-GFCCVEGCSA-N 0 1 279.815 3.856 20 0 CHADMN Cc1cccc(NC(=O)c2c(O)cccc2Cl)c1C ZINC000769573310 1129917893 /nfs/dbraw/zinc/91/78/93/1129917893.db2.gz BQWLDNTUEXUJIU-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN O=C(Nc1ccc(Cl)cc1)c1c(O)cccc1Cl ZINC000769583496 1129918558 /nfs/dbraw/zinc/91/85/58/1129918558.db2.gz COUFAONNMFTTDI-UHFFFAOYSA-N 0 1 282.126 3.951 20 0 CHADMN Clc1nn(CN2CCC[C@H]2C2CC2)c2ccccc12 ZINC000769648740 1129920553 /nfs/dbraw/zinc/92/05/53/1129920553.db2.gz ILKVARWDLKNRMV-ZDUSSCGKSA-N 0 1 275.783 3.522 20 0 CHADMN CC(C)[C@@H](N)c1cc(-c2ccccc2OC(F)F)no1 ZINC000901395184 1129920552 /nfs/dbraw/zinc/92/05/52/1129920552.db2.gz JDJJMWRTGXWWOK-CYBMUJFWSA-N 0 1 282.290 3.599 20 0 CHADMN CCC[C@H](N)c1cc(-c2ccccc2OC(F)F)no1 ZINC000901396394 1129920694 /nfs/dbraw/zinc/92/06/94/1129920694.db2.gz QXGRKWNFIIBUMF-JTQLQIEISA-N 0 1 282.290 3.743 20 0 CHADMN CC[N@@H+](Cc1ccc(/C=C/C(=O)[O-])o1)C1CCCCC1 ZINC000901416734 1129922871 /nfs/dbraw/zinc/92/28/71/1129922871.db2.gz INBKIFUMPIGQEU-ZHACJKMWSA-N 0 1 277.364 3.532 20 0 CHADMN COc1ccc(CN[C@@H](C)c2csc3ccccc23)nn1 ZINC000801539560 1129925728 /nfs/dbraw/zinc/92/57/28/1129925728.db2.gz IKHWWEQITOKLAO-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1ccc(COC)cc1 ZINC000769865127 1129927062 /nfs/dbraw/zinc/92/70/62/1129927062.db2.gz ACUZKLVNWBPNDR-GFCCVEGCSA-N 0 1 288.391 3.543 20 0 CHADMN Cc1ccc([C@H](C)C[N@@H+]2CC[C@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000901469777 1129927548 /nfs/dbraw/zinc/92/75/48/1129927548.db2.gz WHUGKTOZTYRJOL-CRAIPNDOSA-N 0 1 289.419 3.531 20 0 CHADMN C/C(=C/c1ccccc1)C[N@@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000901463883 1129927828 /nfs/dbraw/zinc/92/78/28/1129927828.db2.gz AWNWGFOTMYTGCI-VHUCWBOISA-N 0 1 287.403 3.523 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCCOC1CCCCC1 ZINC000769874479 1129930024 /nfs/dbraw/zinc/93/00/24/1129930024.db2.gz OBFLHENTGLIJOG-GFCCVEGCSA-N 0 1 280.412 3.545 20 0 CHADMN CCCC[C@@H](CC)CC[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000901541961 1129935288 /nfs/dbraw/zinc/93/52/88/1129935288.db2.gz BVKQNPCQRUWZPP-IIAWOOMASA-N 0 1 269.429 3.636 20 0 CHADMN CC(C(=O)Nc1cc(F)cc(Cl)c1O)=C1CCC1 ZINC000829572812 1131424872 /nfs/dbraw/zinc/42/48/72/1131424872.db2.gz YQMXHQQHBNRSBC-UHFFFAOYSA-N 0 1 269.703 3.624 20 0 CHADMN CC1=CCC[C@H](C)[C@H]1C[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000901569197 1129937263 /nfs/dbraw/zinc/93/72/63/1129937263.db2.gz JSUROWDCBDNAEX-RDJZCZTQSA-N 0 1 287.403 3.566 20 0 CHADMN CC1=C[C@H](C)C[C@@H](C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000901592493 1129938529 /nfs/dbraw/zinc/93/85/29/1129938529.db2.gz PNFFKASYGWMDQO-XJKSGUPXSA-N 0 1 287.403 3.809 20 0 CHADMN CC[C@H](C[N@@H+](CCC(=O)[O-])CC(C)C)c1ccccc1 ZINC000901596428 1129938863 /nfs/dbraw/zinc/93/88/63/1129938863.db2.gz VNYICNBMNAHUHP-OAHLLOKOSA-N 0 1 277.408 3.613 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1csc2ccccc12 ZINC000901593509 1129938874 /nfs/dbraw/zinc/93/88/74/1129938874.db2.gz PUHBVRYCUYADJP-UHFFFAOYSA-N 0 1 291.416 3.834 20 0 CHADMN CC(C)(CC[N@H+]1CCc2cc(C(=O)[O-])ccc2C1)C1CC1 ZINC000901669037 1129942474 /nfs/dbraw/zinc/94/24/74/1129942474.db2.gz MRKYFNJDWXSFHB-UHFFFAOYSA-N 0 1 287.403 3.569 20 0 CHADMN C[C@@H]1CCCC[C@@H]1C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000901671611 1129943044 /nfs/dbraw/zinc/94/30/44/1129943044.db2.gz BPNJODYYQVDKSA-CZUORRHYSA-N 0 1 287.403 3.569 20 0 CHADMN C/C(=C/C(=O)Nc1ccc2c(C)[nH]nc2c1)C(C)(C)C ZINC000770259944 1129943015 /nfs/dbraw/zinc/94/30/15/1129943015.db2.gz XDJIFCPPEDOLDZ-NTMALXAHSA-N 0 1 271.364 3.802 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C=Cc3ccsc3)ccc12 ZINC000770259939 1129943092 /nfs/dbraw/zinc/94/30/92/1129943092.db2.gz WWOQIVORATWYRN-DJWKRKHSSA-N 0 1 283.356 3.585 20 0 CHADMN CC1=C[C@H](C)C[C@H](C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000901745238 1129949418 /nfs/dbraw/zinc/94/94/18/1129949418.db2.gz SOHNBXRZGAWXIL-ZFWWWQNUSA-N 0 1 299.414 3.735 20 0 CHADMN CCO[C@@H]1C[C@@H](Nc2ccc(CN(C)C)c(F)c2)C1(C)C ZINC000770520338 1129950359 /nfs/dbraw/zinc/95/03/59/1129950359.db2.gz MVWVXWOCLQMFCX-HZPDHXFCSA-N 0 1 294.414 3.503 20 0 CHADMN CC1(C)Oc2ccc(NCc3ccc4nc[nH]c4c3)cc2O1 ZINC000770523606 1129950443 /nfs/dbraw/zinc/95/04/43/1129950443.db2.gz ILGCQVRJAQEZHB-UHFFFAOYSA-N 0 1 295.342 3.682 20 0 CHADMN C[C@@H]1CCC[C@H](C[N@H+]2CCc3cccc(C(=O)[O-])c3C2)C1 ZINC000901778059 1129951862 /nfs/dbraw/zinc/95/18/62/1129951862.db2.gz KWCLHKCSWMHQPE-KGLIPLIRSA-N 0 1 287.403 3.569 20 0 CHADMN Cc1cc(C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-])cs1 ZINC000901838798 1129958496 /nfs/dbraw/zinc/95/84/96/1129958496.db2.gz LZPJWSZMZIBHIO-UHFFFAOYSA-N 0 1 283.437 3.625 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000901890966 1129964479 /nfs/dbraw/zinc/96/44/79/1129964479.db2.gz NBNWCRUQRKJQHC-OAGGEKHMSA-N 0 1 281.440 3.802 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000901890969 1129964699 /nfs/dbraw/zinc/96/46/99/1129964699.db2.gz NBNWCRUQRKJQHC-XHSDSOJGSA-N 0 1 281.440 3.802 20 0 CHADMN CC[C@@H]1CCCC[C@H]1C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000901913277 1129965104 /nfs/dbraw/zinc/96/51/04/1129965104.db2.gz GSNNWBIEKBPLCY-CVYDXHPNSA-N 0 1 293.451 3.780 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000901916766 1129965927 /nfs/dbraw/zinc/96/59/27/1129965927.db2.gz DZEUALRZGPNCRD-CUSZFKRNSA-N 0 1 291.435 3.556 20 0 CHADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)C1CCCCCCC1 ZINC000771044315 1129967755 /nfs/dbraw/zinc/96/77/55/1129967755.db2.gz FRLZBIUOSCALHT-UHFFFAOYSA-N 0 1 289.301 3.728 20 0 CHADMN CC(C)[N@H+](CC(=O)[O-])CC1CCC2(CCCCC2)CC1 ZINC000901978358 1129969152 /nfs/dbraw/zinc/96/91/52/1129969152.db2.gz ZIJLBHJIIHOWIW-UHFFFAOYSA-N 0 1 281.440 3.922 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cccc(OC(C)(C)C)c1 ZINC000901979003 1129969179 /nfs/dbraw/zinc/96/91/79/1129969179.db2.gz PGNFDXBZUXLDKD-UHFFFAOYSA-N 0 1 293.407 3.549 20 0 CHADMN CC(C)C(C[N@@H+](C)[C@H](Cc1ccccc1)C(=O)[O-])C(C)C ZINC000902005279 1129970625 /nfs/dbraw/zinc/97/06/25/1129970625.db2.gz YOXVDNJKEDFNLO-QGZVFWFLSA-N 0 1 291.435 3.542 20 0 CHADMN CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000902009467 1129971269 /nfs/dbraw/zinc/97/12/69/1129971269.db2.gz FVGLNARUKYRNGU-HUUCEWRRSA-N 0 1 267.413 3.698 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000902011092 1129971365 /nfs/dbraw/zinc/97/13/65/1129971365.db2.gz KIKKYFPCBTURQF-XLNGHYISSA-N 0 1 293.451 3.778 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000902008130 1129971481 /nfs/dbraw/zinc/97/14/81/1129971481.db2.gz TUGOMLBVQGTJDV-KBPBESRZSA-N 0 1 255.402 3.532 20 0 CHADMN Fc1ccc(CN[C@H]2CCc3ccc(Cl)nc32)cc1 ZINC000771180852 1129974328 /nfs/dbraw/zinc/97/43/28/1129974328.db2.gz KEAIWVLRICKBKH-ZDUSSCGKSA-N 0 1 276.742 3.651 20 0 CHADMN Cc1ccc([C@@H](C)NCc2c(C)cccc2F)c(C)n1 ZINC000771390357 1129979349 /nfs/dbraw/zinc/97/93/49/1129979349.db2.gz PDLXIAMBEBRKLF-CYBMUJFWSA-N 0 1 272.367 3.997 20 0 CHADMN Cc1cnc([C@H](C)N2CCC(CC(C)C)CC2)o1 ZINC000771445644 1129980925 /nfs/dbraw/zinc/98/09/25/1129980925.db2.gz BDIAKFBJXXHVGE-ZDUSSCGKSA-N 0 1 250.386 3.802 20 0 CHADMN C[C@H]1CCC[C@@H](CN(C)Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000771443101 1129981108 /nfs/dbraw/zinc/98/11/08/1129981108.db2.gz HXRDIVXDFTWPLE-UONOGXRCSA-N 0 1 299.418 3.594 20 0 CHADMN CNc1ccccc1CN[C@@H]1CSCc2ccccc21 ZINC000902125395 1129982560 /nfs/dbraw/zinc/98/25/60/1129982560.db2.gz ROFNVOQCOMNKSR-QGZVFWFLSA-N 0 1 284.428 3.806 20 0 CHADMN CC(C)C[N@@H+](CCC(C)(C)C(=O)[O-])Cc1ccccc1 ZINC000902134411 1129983265 /nfs/dbraw/zinc/98/32/65/1129983265.db2.gz LMRZVCQLPZOHEL-UHFFFAOYSA-N 0 1 277.408 3.646 20 0 CHADMN CC(C)[C@H]1CCCC[C@@H]1NCc1nnc(C(C)(C)C)o1 ZINC000771790302 1129989520 /nfs/dbraw/zinc/98/95/20/1129989520.db2.gz ADAOSOUUGUGMDW-OLZOCXBDSA-N 0 1 279.428 3.672 20 0 CHADMN CC(C)(CC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1)C(=O)[O-] ZINC000902252171 1129993199 /nfs/dbraw/zinc/99/31/99/1129993199.db2.gz FPMVQTRILCZQTN-ZDUSSCGKSA-N 0 1 295.810 3.630 20 0 CHADMN CC1(C)CC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000902269672 1129994910 /nfs/dbraw/zinc/99/49/10/1129994910.db2.gz GUDSLMAUYVHVLY-UHFFFAOYSA-N 0 1 299.370 3.877 20 0 CHADMN CCCN(Cc1occc1Br)CC1CC1 ZINC000771924531 1129995312 /nfs/dbraw/zinc/99/53/12/1129995312.db2.gz LXHVXZBUDUGYQK-UHFFFAOYSA-N 0 1 272.186 3.664 20 0 CHADMN CCCN(CC)Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000771934502 1129996189 /nfs/dbraw/zinc/99/61/89/1129996189.db2.gz AHPWXZSOKUAEMJ-UHFFFAOYSA-N 0 1 294.830 3.898 20 0 CHADMN c1ccc([C@H]2CCN2Cc2ccc3c(c2)COC3)cc1 ZINC000771938439 1129997359 /nfs/dbraw/zinc/99/73/59/1129997359.db2.gz LQMNNMDSGFYGJO-GOSISDBHSA-N 0 1 265.356 3.664 20 0 CHADMN C[C@H](CC(=O)OC(C)(C)C)NCc1cscc1Cl ZINC000771960421 1129998731 /nfs/dbraw/zinc/99/87/31/1129998731.db2.gz MBRSSOSPIKOJCU-SECBINFHSA-N 0 1 289.828 3.611 20 0 CHADMN CCN(Cn1cc(C(C)C)n(C)c1=S)C1CCC1 ZINC000747458000 1130002043 /nfs/dbraw/zinc/00/20/43/1130002043.db2.gz YQVBVTBWACYLIN-UHFFFAOYSA-N 0 1 267.442 3.511 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OC/C=C/Cl ZINC000772101082 1130004166 /nfs/dbraw/zinc/00/41/66/1130004166.db2.gz CDBFGKXICKUTAN-QPJJXVBHSA-N 0 1 290.750 3.603 20 0 CHADMN CC(C)(C)c1ccc(-c2cc3[nH]cnc3cn2)cc1 ZINC001239605559 1130008689 /nfs/dbraw/zinc/00/86/89/1130008689.db2.gz JFEYBYRBRAVIOS-UHFFFAOYSA-N 0 1 251.333 3.922 20 0 CHADMN Cn1ncc(Nc2nc(-c3ccccc3)ns2)c1C1CC1 ZINC000772164369 1130009282 /nfs/dbraw/zinc/00/92/82/1130009282.db2.gz OVXCSFMEUHJMOD-UHFFFAOYSA-N 0 1 297.387 3.560 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000902452280 1130012149 /nfs/dbraw/zinc/01/21/49/1130012149.db2.gz ZECLVOJRLHZAKC-YXVBKTCISA-N 0 1 291.391 3.636 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1CC(=O)OCc1ccc(C(F)F)cc1 ZINC000785741245 1130052503 /nfs/dbraw/zinc/05/25/03/1130052503.db2.gz KTFGGXRHHZFPQK-VXGBXAGGSA-N 0 1 297.345 3.540 20 0 CHADMN CC(C)C[C@H](NCc1csc(N)n1)c1ccccc1 ZINC000902488191 1130017250 /nfs/dbraw/zinc/01/72/50/1130017250.db2.gz GBPZSHBMPYMPMH-AWEZNQCLSA-N 0 1 275.421 3.602 20 0 CHADMN Nc1nc(CN[C@H](c2cccs2)C2CCCC2)cs1 ZINC000902492404 1130017376 /nfs/dbraw/zinc/01/73/76/1130017376.db2.gz YUMVLOHMHIBVLS-ZDUSSCGKSA-N 0 1 293.461 3.808 20 0 CHADMN CC(C)C[C@@H]1CCCCC[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000902525264 1130019429 /nfs/dbraw/zinc/01/94/29/1130019429.db2.gz VRUASPSQSACMGJ-AWEZNQCLSA-N 0 1 269.429 3.778 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902523978 1130019744 /nfs/dbraw/zinc/01/97/44/1130019744.db2.gz IFIIDQSGOMRCBW-MRXNPFEDSA-N 0 1 298.386 3.553 20 0 CHADMN CCN(C)c1ccccc1CN[C@@H](C)c1cnccc1C ZINC000772455210 1130022321 /nfs/dbraw/zinc/02/23/21/1130022321.db2.gz KEKMITMFUJHKHF-HNNXBMFYSA-N 0 1 283.419 3.697 20 0 CHADMN C[N@@H+](Cc1ccnc2c(C(=O)[O-])cccc12)C1CC(C)(C)C1 ZINC000902544427 1130022422 /nfs/dbraw/zinc/02/24/22/1130022422.db2.gz BBVHLSDNRIFOEV-UHFFFAOYSA-N 0 1 298.386 3.553 20 0 CHADMN Cc1oc(C[N@H+](C)[C@@H](C)C2CCCCC2)cc1C(=O)[O-] ZINC000902545981 1130022448 /nfs/dbraw/zinc/02/24/48/1130022448.db2.gz OLQZWKYXZXXJRF-NSHDSACASA-N 0 1 279.380 3.687 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)C[C@H]1CC(=O)[O-] ZINC000902556152 1130025190 /nfs/dbraw/zinc/02/51/90/1130025190.db2.gz WVMYONPBBLBING-UKRRQHHQSA-N 0 1 289.419 3.527 20 0 CHADMN FC(F)(F)Oc1ccc(-c2nccc3[nH]ccc32)cn1 ZINC001242775315 1130031901 /nfs/dbraw/zinc/03/19/01/1130031901.db2.gz BBTSQEKMWONEMF-UHFFFAOYSA-N 0 1 279.221 3.524 20 0 CHADMN CCn1cnc(CN[C@@H]2CCc3cccc4cccc2c43)c1 ZINC000902651591 1130034500 /nfs/dbraw/zinc/03/45/00/1130034500.db2.gz GLXNRMTVKDVSBZ-GOSISDBHSA-N 0 1 291.398 3.833 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OC[C@H]1C[C@@H]1C ZINC000772646988 1130034961 /nfs/dbraw/zinc/03/49/61/1130034961.db2.gz VXFAKGHZCKLBCO-SMDDNHRTSA-N 0 1 284.359 3.506 20 0 CHADMN COc1cccc(OC)c1-c1ccc2nc[nH]c2c1C ZINC001239671148 1130044320 /nfs/dbraw/zinc/04/43/20/1130044320.db2.gz QFSPOBWWVPMRRK-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN COC(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccccn2)c(C)c1 ZINC000902721016 1130044269 /nfs/dbraw/zinc/04/42/69/1130044269.db2.gz SFGLYZOCDGHSFY-KGLIPLIRSA-N 0 1 298.386 3.588 20 0 CHADMN COc1cccc(OC)c1-c1ccc2[nH]c(C)nc2c1 ZINC001239671842 1130044620 /nfs/dbraw/zinc/04/46/20/1130044620.db2.gz NJCICUHOGYWHRD-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN C[C@H](NC(=O)C(F)(F)F)c1ccc(-c2ccoc2)cc1 ZINC001239691272 1130056889 /nfs/dbraw/zinc/05/68/89/1130056889.db2.gz DFBJFENIDFYUGZ-VIFPVBQESA-N 0 1 283.249 3.686 20 0 CHADMN S=c1nc2[nH]cnc(-c3ccc4[nH]ccc4c3)c-2s1 ZINC001239693112 1130058058 /nfs/dbraw/zinc/05/80/58/1130058058.db2.gz IUIJMCBOSGMGIF-UHFFFAOYSA-N 0 1 284.369 3.849 20 0 CHADMN C/C(=C/C(=O)Nc1nc2ccc(F)cc2[nH]1)C(C)(C)C ZINC000785877100 1130058152 /nfs/dbraw/zinc/05/81/52/1130058152.db2.gz OTWOUGFKEQMZEF-CLFYSBASSA-N 0 1 275.327 3.633 20 0 CHADMN CCCn1cc([C@@H](C)N[C@@H](c2ccccc2C)C2CC2)nn1 ZINC000902801674 1130060592 /nfs/dbraw/zinc/06/05/92/1130060592.db2.gz DHELICFGHLMQQT-RDTXWAMCSA-N 0 1 298.434 3.798 20 0 CHADMN Cc1cccc(-c2nc[nH]c3nc(=S)sc2-3)c1C ZINC001239714716 1130069513 /nfs/dbraw/zinc/06/95/13/1130069513.db2.gz OVYUCQACJKWABH-UHFFFAOYSA-N 0 1 273.386 3.659 20 0 CHADMN COc1ccc(F)cc1-c1cc2nc[nH]c2c(C)c1 ZINC001239720865 1130073436 /nfs/dbraw/zinc/07/34/36/1130073436.db2.gz VAWULEMPCYGMRY-UHFFFAOYSA-N 0 1 256.280 3.686 20 0 CHADMN COC(=O)c1cccc(-c2cc(N3CCCCC3)ccn2)c1 ZINC001239730930 1130078223 /nfs/dbraw/zinc/07/82/23/1130078223.db2.gz MCYLOMFAZYNNKJ-UHFFFAOYSA-N 0 1 296.370 3.526 20 0 CHADMN Cc1cc(F)ccc1-c1ccc(N2CCN(C)CC2)cc1 ZINC001239740811 1130082630 /nfs/dbraw/zinc/08/26/30/1130082630.db2.gz LYTHPDZCOXQVMY-UHFFFAOYSA-N 0 1 284.378 3.553 20 0 CHADMN CCOC(=O)c1nc2ccc(-c3ccc(F)cc3C)cc2[nH]1 ZINC001239741167 1130083872 /nfs/dbraw/zinc/08/38/72/1130083872.db2.gz UASILAQSGRTVAM-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)OCc1cc2ccccc2o1 ZINC000786342521 1130087112 /nfs/dbraw/zinc/08/71/12/1130087112.db2.gz JEORUOCZVNZHGY-UHFFFAOYSA-N 0 1 298.342 3.945 20 0 CHADMN CC(C)CCC[C@@H](C)n1c2ccccc2nc1CN ZINC001170057772 1130094602 /nfs/dbraw/zinc/09/46/02/1130094602.db2.gz MZCXTDHKGNZVCH-CYBMUJFWSA-N 0 1 259.397 3.882 20 0 CHADMN CC/C=C/CN[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903007167 1130099188 /nfs/dbraw/zinc/09/91/88/1130099188.db2.gz UYVNDNUQFCPXFX-YEZKRMTDSA-N 0 1 258.287 3.717 20 0 CHADMN CC(=O)OCc1cccc([C@H](C)N[C@@H](C)c2ccccn2)c1 ZINC000903056392 1130107171 /nfs/dbraw/zinc/10/71/71/1130107171.db2.gz UDQNKOQJEGRXKE-KBPBESRZSA-N 0 1 298.386 3.557 20 0 CHADMN CC(C)[C@H](Nc1ccc2nc[nH]c2n1)c1ccc(F)cc1 ZINC001170060383 1130109471 /nfs/dbraw/zinc/10/94/71/1130109471.db2.gz OGJIAQJQPNGTOW-HNNXBMFYSA-N 0 1 284.338 3.906 20 0 CHADMN Cc1cccc2c1[C@@H](N[C@H](C)CCCC(C)C)C(=O)N2 ZINC001170061337 1130110196 /nfs/dbraw/zinc/11/01/96/1130110196.db2.gz LUMQTKHPBBSFRA-CZUORRHYSA-N 0 1 274.408 3.793 20 0 CHADMN CC(C)[C@@H](Nc1ccnc2[nH]cnc21)c1ccc(F)cc1 ZINC001170065030 1130118835 /nfs/dbraw/zinc/11/88/35/1130118835.db2.gz BCWTZIPAWCVXHY-CQSZACIVSA-N 0 1 284.338 3.906 20 0 CHADMN C[C@H](NCc1nccc2c1CCCC2)c1cccc(F)c1 ZINC000903185710 1130125773 /nfs/dbraw/zinc/12/57/73/1130125773.db2.gz VWBRZQZJAWLQOA-ZDUSSCGKSA-N 0 1 284.378 3.950 20 0 CHADMN COc1c(C)cccc1CN[C@@H](c1ccccn1)C1CC1 ZINC000903196184 1130127839 /nfs/dbraw/zinc/12/78/39/1130127839.db2.gz JFMKPLGOVUEAJB-QGZVFWFLSA-N 0 1 282.387 3.640 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cncs2)cc1C ZINC000903235001 1130133281 /nfs/dbraw/zinc/13/32/81/1130133281.db2.gz VARVQXLXQBGBPS-VXGBXAGGSA-N 0 1 276.405 3.872 20 0 CHADMN Cc1cc([C@H](C)NCc2cnn(CC3CCC3)c2)cs1 ZINC000903240615 1130134161 /nfs/dbraw/zinc/13/41/61/1130134161.db2.gz VOLJBJPBDWEQNH-ZDUSSCGKSA-N 0 1 289.448 3.904 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1ccnc2ccccc21 ZINC001239852943 1130134808 /nfs/dbraw/zinc/13/48/08/1130134808.db2.gz LKCVDTSCGLEFPQ-UHFFFAOYSA-N 0 1 263.275 3.917 20 0 CHADMN CC(C)[C@H](Nc1cccc2[nH]nnc21)c1ccc(F)cc1 ZINC001170069117 1130135330 /nfs/dbraw/zinc/13/53/30/1130135330.db2.gz ZNHINRQTGUBLTA-HNNXBMFYSA-N 0 1 284.338 3.906 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2OC[C@@H]1F)C1CCSCC1 ZINC000903273155 1130142381 /nfs/dbraw/zinc/14/23/81/1130142381.db2.gz UGLREPOKKAQEPQ-PJODQICGSA-N 0 1 295.423 3.580 20 0 CHADMN CC[C@@](C)(NCc1ccc(F)cn1)c1ccccc1 ZINC000787279951 1130143024 /nfs/dbraw/zinc/14/30/24/1130143024.db2.gz OPECZULLFQXMSJ-MRXNPFEDSA-N 0 1 258.340 3.636 20 0 CHADMN Cc1cc(CO)cc(C)c1CN[C@@H](C)c1ccccc1F ZINC000903308513 1130149524 /nfs/dbraw/zinc/14/95/24/1130149524.db2.gz QQFGENSOXKYSRC-AWEZNQCLSA-N 0 1 287.378 3.786 20 0 CHADMN Cc1cnc(C)c(-c2cccc(CN(C)C)c2F)c1 ZINC001239906332 1130150486 /nfs/dbraw/zinc/15/04/86/1130150486.db2.gz WUZYTFSNTIUZRE-UHFFFAOYSA-N 0 1 258.340 3.566 20 0 CHADMN COc1cc(C)ccc1[C@@H](C)N[C@@H](C)c1cncs1 ZINC000903309391 1130150944 /nfs/dbraw/zinc/15/09/44/1130150944.db2.gz FINVVDPHMAAQCD-NEPJUHHUSA-N 0 1 276.405 3.872 20 0 CHADMN CC(C)(C)c1coc(CN[C@@H]2CCC[C@H]2CCCF)n1 ZINC000903313232 1130152036 /nfs/dbraw/zinc/15/20/36/1130152036.db2.gz LKDZZAYVWBNECB-QWHCGFSZSA-N 0 1 282.403 3.980 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncs1)c1ccc2c(c1)COC2 ZINC000903312681 1130152202 /nfs/dbraw/zinc/15/22/02/1130152202.db2.gz XRBLJVQZVGMBTK-MNOVXSKESA-N 0 1 274.389 3.585 20 0 CHADMN CCCCCC[C@](C)(CC)C(=O)N1CCN2CCC1CC2 ZINC000787515047 1130152774 /nfs/dbraw/zinc/15/27/74/1130152774.db2.gz JKSBBDWZHNQRNO-SFHVURJKSA-N 0 1 294.483 3.680 20 0 CHADMN O=C(Nc1ccc(C2CCC2)cc1)[C@@H]1CCCN1C1CC1 ZINC000787690714 1130158797 /nfs/dbraw/zinc/15/87/97/1130158797.db2.gz MOWZZKSKQAUEOZ-KRWDZBQOSA-N 0 1 284.403 3.519 20 0 CHADMN Oc1cccc2c1CCC[C@H]2N[C@H](c1ccccn1)C1CC1 ZINC000903335310 1130160599 /nfs/dbraw/zinc/16/05/99/1130160599.db2.gz NQQRBNQNWHJLMR-APWZRJJASA-N 0 1 294.398 3.906 20 0 CHADMN C[C@H](N[C@H](c1ccccn1)C1CC1)c1cccc(O)c1 ZINC000903341082 1130162878 /nfs/dbraw/zinc/16/28/78/1130162878.db2.gz VVCFHDOVQKBOLQ-SJCJKPOMSA-N 0 1 268.360 3.589 20 0 CHADMN Cn1cnc(CN[C@H]2CCCc3c4ccccc4sc32)c1 ZINC000903351249 1130164632 /nfs/dbraw/zinc/16/46/32/1130164632.db2.gz IUMXHCUNUZDTDD-HNNXBMFYSA-N 0 1 297.427 3.802 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cn(C)cn1)C1CCCC1 ZINC000903353229 1130165302 /nfs/dbraw/zinc/16/53/02/1130165302.db2.gz ZYCUPWCNUDOHDS-SFHVURJKSA-N 0 1 283.419 3.750 20 0 CHADMN COCc1ccccc1-c1ccc2nc(C)[nH]c2c1 ZINC001239951805 1130167861 /nfs/dbraw/zinc/16/78/61/1130167861.db2.gz KIENZOYOAUFTRR-UHFFFAOYSA-N 0 1 252.317 3.685 20 0 CHADMN CCc1ccc2ccccc2c1C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000903402865 1130170521 /nfs/dbraw/zinc/17/05/21/1130170521.db2.gz ZZYBMHUNXUHBFG-SFHVURJKSA-N 0 1 297.398 3.841 20 0 CHADMN CCc1ccc2ccccc2c1C[N@@H+](CC(=O)[O-])C1CCC1 ZINC000903408726 1130171912 /nfs/dbraw/zinc/17/19/12/1130171912.db2.gz KPFXXBUMTXWHNM-UHFFFAOYSA-N 0 1 297.398 3.841 20 0 CHADMN Cc1cc([C@@H](C)NCc2c(C)nc3ccccn32)oc1C ZINC000903420843 1130174142 /nfs/dbraw/zinc/17/41/42/1130174142.db2.gz DHVWQYAWWSDJEF-CYBMUJFWSA-N 0 1 283.375 3.703 20 0 CHADMN CCOC(=O)c1cc2cc(-c3cc(C)ccc3F)cnc2[nH]1 ZINC001239965430 1130174648 /nfs/dbraw/zinc/17/46/48/1130174648.db2.gz UNROEJOEGYRNJM-UHFFFAOYSA-N 0 1 298.317 3.854 20 0 CHADMN CC(C)Cc1ccccc1C[N@@H+](CCC(=O)[O-])CC1CC1 ZINC000903595526 1130183366 /nfs/dbraw/zinc/18/33/66/1130183366.db2.gz DPSVVWYZZQNNEB-UHFFFAOYSA-N 0 1 289.419 3.572 20 0 CHADMN CC(C)(C)NC(=O)c1ccc(-c2cc3[nH]ccc3cn2)cc1 ZINC001239989789 1130183379 /nfs/dbraw/zinc/18/33/79/1130183379.db2.gz ZYLIKYOKFJPORH-UHFFFAOYSA-N 0 1 293.370 3.758 20 0 CHADMN CCSc1ccccc1C[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000903609066 1130185021 /nfs/dbraw/zinc/18/50/21/1130185021.db2.gz SRXLULRAFQKQNC-GFCCVEGCSA-N 0 1 293.432 3.626 20 0 CHADMN C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000903632377 1130185349 /nfs/dbraw/zinc/18/53/49/1130185349.db2.gz XRRHLTJZXXFZPO-XJKSGUPXSA-N 0 1 299.370 3.746 20 0 CHADMN O=C([O-])c1ccc(Cl)c(C[N@H+]2CCCC23CCC3)c1 ZINC000903632373 1130185860 /nfs/dbraw/zinc/18/58/60/1130185860.db2.gz XRFFKPIRKWEQTP-UHFFFAOYSA-N 0 1 279.767 3.557 20 0 CHADMN Cc1cc2[nH]cnc2cc1-c1cnn(Cc2ccccc2)c1 ZINC001240003720 1130188961 /nfs/dbraw/zinc/18/89/61/1130188961.db2.gz IFRRHJKWTKLSOS-UHFFFAOYSA-N 0 1 288.354 3.783 20 0 CHADMN CCC[C@@]1(C)CCC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC000903695588 1130190037 /nfs/dbraw/zinc/19/00/37/1130190037.db2.gz DDYUDLANZJCCOE-HNNXBMFYSA-N 0 1 267.413 3.534 20 0 CHADMN CC[N@@H+](CCC1(C(=O)[O-])CCC1)[C@@H](C)c1ccc(F)cc1 ZINC000903696514 1130190625 /nfs/dbraw/zinc/19/06/25/1130190625.db2.gz IESKFOUXTCYDHB-ZDUSSCGKSA-N 0 1 293.382 3.854 20 0 CHADMN Cc1ccc([C@@H]2CCC[N@H+]2CCC2(C(=O)[O-])CCC2)cc1 ZINC000903697707 1130191515 /nfs/dbraw/zinc/19/15/15/1130191515.db2.gz XVVVFKSWCPVADH-INIZCTEOSA-N 0 1 287.403 3.777 20 0 CHADMN Cc1ccc([C@H](C)NCc2ccc(-c3cc[nH]n3)o2)s1 ZINC000788510189 1130191881 /nfs/dbraw/zinc/19/18/81/1130191881.db2.gz WMPDZDUPCMUIDT-NSHDSACASA-N 0 1 287.388 3.890 20 0 CHADMN C[C@H](NCc1ccon1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788585775 1130195768 /nfs/dbraw/zinc/19/57/68/1130195768.db2.gz XADZVEIUSAERAE-INTQDDNPSA-N 0 1 282.796 3.671 20 0 CHADMN COc1ccc(-c2ccc3cncn3c2)cc1Cl ZINC001240031649 1130200154 /nfs/dbraw/zinc/20/01/54/1130200154.db2.gz NYLCXGAVJJGEII-UHFFFAOYSA-N 0 1 258.708 3.663 20 0 CHADMN CSc1ncc2c(n1)CN([C@@H](C)CCCC(C)C)CC2 ZINC001170088217 1130202071 /nfs/dbraw/zinc/20/20/71/1130202071.db2.gz PQFIFHRXOHGGAQ-ZDUSSCGKSA-N 0 1 293.480 3.771 20 0 CHADMN Cc1nc2cccc(-c3cccc(C(=O)NC(C)C)c3)c2[nH]1 ZINC001240081771 1130208568 /nfs/dbraw/zinc/20/85/68/1130208568.db2.gz ACYXXFSVNNATRJ-UHFFFAOYSA-N 0 1 293.370 3.677 20 0 CHADMN C[C@@H](N[C@H]1COCc2ccccc21)c1ccnc(Cl)c1 ZINC000788805010 1130209512 /nfs/dbraw/zinc/20/95/12/1130209512.db2.gz ZVDQEQOLIWNERL-ABAIWWIYSA-N 0 1 288.778 3.657 20 0 CHADMN CC(C)c1ccccc1C[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000903911738 1130210094 /nfs/dbraw/zinc/21/00/94/1130210094.db2.gz NZDLEYZXVQUZMG-MIFYACCESA-N 0 1 289.419 3.884 20 0 CHADMN CCC(C)(C)CC[N@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]1C ZINC000903951454 1130212193 /nfs/dbraw/zinc/21/21/93/1130212193.db2.gz KGKDBRSSJPWZKU-CRWXNKLISA-N 0 1 269.429 3.632 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(Cl)cc2)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903952447 1130213143 /nfs/dbraw/zinc/21/31/43/1130213143.db2.gz YJUNJIZEGKVBHZ-YXMPFFBPSA-N 0 1 295.810 3.660 20 0 CHADMN CCc1ccccc1C[N@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]1C ZINC000903952892 1130213274 /nfs/dbraw/zinc/21/32/74/1130213274.db2.gz MMYWLKYDBUMPJI-LOUJCGABSA-N 0 1 289.419 3.569 20 0 CHADMN CCc1ccccc1C[N@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]1C ZINC000903952894 1130213629 /nfs/dbraw/zinc/21/36/29/1130213629.db2.gz MMYWLKYDBUMPJI-ZOMKSWQUSA-N 0 1 289.419 3.569 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CC2CCC3(CC3)CC2)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903952964 1130213655 /nfs/dbraw/zinc/21/36/55/1130213655.db2.gz YLAUGVGZDVQQTK-HLPPOEQASA-N 0 1 293.451 3.776 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2ccc(Cl)nc2)s1 ZINC000788984368 1130221747 /nfs/dbraw/zinc/22/17/47/1130221747.db2.gz RKUJRCOCOQRQCY-RKDXNWHRSA-N 0 1 281.812 3.912 20 0 CHADMN CCCCc1nc(Cl)c(CN2CC3CCC2CC3)[nH]1 ZINC001139179705 1130228819 /nfs/dbraw/zinc/22/88/19/1130228819.db2.gz VZIKFLYVKROIMB-UHFFFAOYSA-N 0 1 281.831 3.780 20 0 CHADMN Fc1ccc2[nH]ccc2c1-c1ccc2cncn2c1 ZINC001240216494 1130235927 /nfs/dbraw/zinc/23/59/27/1130235927.db2.gz ZGTDSJXTJKGUMW-UHFFFAOYSA-N 0 1 251.264 3.622 20 0 CHADMN Fc1ccc2[nH]ccc2c1-c1cccn2cncc12 ZINC001240219246 1130237769 /nfs/dbraw/zinc/23/77/69/1130237769.db2.gz CIKBLCOZRHIPOA-UHFFFAOYSA-N 0 1 251.264 3.622 20 0 CHADMN Clc1cccc(CCN2CC[C@H]3C[C@H]32)c1Cl ZINC000789300508 1130241369 /nfs/dbraw/zinc/24/13/69/1130241369.db2.gz OOSSXQSZNBUXLD-CMPLNLGQSA-N 0 1 256.176 3.630 20 0 CHADMN Fc1cncc(-c2ccc3nc(C(F)(F)F)[nH]c3c2)c1 ZINC001240234361 1130242401 /nfs/dbraw/zinc/24/24/01/1130242401.db2.gz AJSQMPJSNYPWKY-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN CN(C)Cc1cc(-c2cccc(-n3cccn3)c2)ccc1F ZINC001240249257 1130246720 /nfs/dbraw/zinc/24/67/20/1130246720.db2.gz BROHRSATKRFCJP-UHFFFAOYSA-N 0 1 295.361 3.740 20 0 CHADMN C[C@H]1CC[C@@H](NC2(c3ccc(C(F)(F)F)cc3)COC2)C1 ZINC001170104886 1130247273 /nfs/dbraw/zinc/24/72/73/1130247273.db2.gz NUAONPOIWSQROT-SMDDNHRTSA-N 0 1 299.336 3.709 20 0 CHADMN CC1(C)CN(C[C@@H](O)c2ccccc2F)[C@@H]1c1ccccc1 ZINC000748833671 1130250203 /nfs/dbraw/zinc/25/02/03/1130250203.db2.gz TXYAIQOKFVXJBJ-QZTJIDSGSA-N 0 1 299.389 3.942 20 0 CHADMN CCc1ccccc1-c1cccc(CCN2CCOCC2)c1 ZINC001240265468 1130252108 /nfs/dbraw/zinc/25/21/08/1130252108.db2.gz HRQCEHNJPOLTFI-UHFFFAOYSA-N 0 1 295.426 3.791 20 0 CHADMN CCC[C@H](C)OC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000748901315 1130253546 /nfs/dbraw/zinc/25/35/46/1130253546.db2.gz YYAADJCVAOAXGN-NSHDSACASA-N 0 1 299.374 3.695 20 0 CHADMN CCC/C=C/C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000749050422 1130261696 /nfs/dbraw/zinc/26/16/96/1130261696.db2.gz LOJKAQJLCVKAAH-SNAWJCMRSA-N 0 1 297.280 3.877 20 0 CHADMN Clc1ncc(Cn2cccc2CN2CCCCC2)s1 ZINC001139363357 1130268722 /nfs/dbraw/zinc/26/87/22/1130268722.db2.gz BTJJWRGRKRZDBZ-UHFFFAOYSA-N 0 1 295.839 3.632 20 0 CHADMN CC(C)N(Cc1ccccc1)CN1C(=O)C(C)(C)C1(C)C ZINC000749165335 1130269121 /nfs/dbraw/zinc/26/91/21/1130269121.db2.gz UDIVCRAWQQVPBK-UHFFFAOYSA-N 0 1 288.435 3.502 20 0 CHADMN Cc1c(CN2CC[C@H]3CCCC[C@H]3C2)nc2ccccn12 ZINC001137273817 1130280623 /nfs/dbraw/zinc/28/06/23/1130280623.db2.gz UGENMTSPKGWAJX-CVEARBPZSA-N 0 1 283.419 3.655 20 0 CHADMN Cc1ccccc1[C@@H](NCc1cnc(Cl)cn1)C(C)C ZINC000790080429 1130287947 /nfs/dbraw/zinc/28/79/47/1130287947.db2.gz LTBBFQLHLSODAQ-INIZCTEOSA-N 0 1 289.810 3.925 20 0 CHADMN CCn1nccc1CNCc1cccc(OC2CCCC2)c1 ZINC000677137323 1130293402 /nfs/dbraw/zinc/29/34/02/1130293402.db2.gz HXVNQQYVFAZMLX-UHFFFAOYSA-N 0 1 299.418 3.514 20 0 CHADMN Cc1cc(-c2cnn(CCC(C)C)c2)cc2nc[nH]c21 ZINC001240419652 1130301542 /nfs/dbraw/zinc/30/15/42/1130301542.db2.gz VPHCJESSGJJZHJ-UHFFFAOYSA-N 0 1 268.364 3.781 20 0 CHADMN COC(=O)c1cc2ccc(-c3cc(C)sc3C)[nH]c-2n1 ZINC001240428460 1130307243 /nfs/dbraw/zinc/30/72/43/1130307243.db2.gz WBEMWQXOPXTNHE-UHFFFAOYSA-N 0 1 286.356 3.695 20 0 CHADMN Cc1noc(C)c1CCN1CCc2cc(F)ccc2[C@H]1C ZINC000677378365 1130309142 /nfs/dbraw/zinc/30/91/42/1130309142.db2.gz LPBKVLSNWPLMPA-GFCCVEGCSA-N 0 1 288.366 3.592 20 0 CHADMN CC[C@@H](NCc1ccc(C)c(F)c1)c1c(C)noc1C ZINC000677426545 1130311412 /nfs/dbraw/zinc/31/14/12/1130311412.db2.gz XCJLYZHSWCFLET-OAHLLOKOSA-N 0 1 276.355 3.980 20 0 CHADMN CC(C)N1CC(Nc2cc(F)cc3ccc(Cl)nc32)C1 ZINC001157530962 1130317101 /nfs/dbraw/zinc/31/71/01/1130317101.db2.gz KASBOHPYJPONGM-UHFFFAOYSA-N 0 1 293.773 3.532 20 0 CHADMN Cc1ccc2ncc(CN3CC[C@@H](C)C(F)(F)CC3)n2c1 ZINC001137304891 1130318369 /nfs/dbraw/zinc/31/83/69/1130318369.db2.gz OYEDCOXCUUQDHI-CYBMUJFWSA-N 0 1 293.361 3.510 20 0 CHADMN c1nc(CN(C2CC2)C2CCCCC2)oc1C1CC1 ZINC000677675573 1130321136 /nfs/dbraw/zinc/32/11/36/1130321136.db2.gz HPVSCPHQMYNQDQ-UHFFFAOYSA-N 0 1 260.381 3.849 20 0 CHADMN C[C@H](c1ccc(F)cc1)N1CC[C@H](C(F)(F)F)C1 ZINC000677714405 1130321733 /nfs/dbraw/zinc/32/17/33/1130321733.db2.gz ZVJHLRRZUXERKU-KOLCDFICSA-N 0 1 261.262 3.771 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCC2(CCOC2)CC1 ZINC000677718863 1130324052 /nfs/dbraw/zinc/32/40/52/1130324052.db2.gz LBEKMCGUYKJCGN-GFCCVEGCSA-N 0 1 281.346 3.528 20 0 CHADMN Cc1n[nH]cc1-c1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC001240522788 1130341727 /nfs/dbraw/zinc/34/17/27/1130341727.db2.gz NXWGXSROKVBQST-UHFFFAOYSA-N 0 1 274.327 3.928 20 0 CHADMN Nc1ccc(-c2ccc(C3=NCCC3)cc2)c(F)c1 ZINC001240524436 1130342098 /nfs/dbraw/zinc/34/20/98/1130342098.db2.gz DWYZUFGVKDLUFD-UHFFFAOYSA-N 0 1 254.308 3.658 20 0 CHADMN C[C@@H](NCc1ccsc1Cl)[C@@H](O)c1cccc(F)c1 ZINC000790972856 1130344016 /nfs/dbraw/zinc/34/40/16/1130344016.db2.gz IPSLVKUPPTYCLQ-NOZJJQNGSA-N 0 1 299.798 3.752 20 0 CHADMN Fc1ccc(C(F)(F)F)c(-c2nccc3[nH]cnc32)c1 ZINC001240529856 1130344868 /nfs/dbraw/zinc/34/48/68/1130344868.db2.gz MDGUKAGUDZOLPZ-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN Fc1ccc(C(F)(F)F)c(-c2cc3[nH]cnc3cn2)c1 ZINC001240530139 1130345210 /nfs/dbraw/zinc/34/52/10/1130345210.db2.gz FUAHRABRHBMUKN-UHFFFAOYSA-N 0 1 281.212 3.783 20 0 CHADMN Cc1cnc(-c2cc(F)ccc2C(F)(F)F)cc1N ZINC001240532031 1130345853 /nfs/dbraw/zinc/34/58/53/1130345853.db2.gz WJHQMMMVTSOAST-UHFFFAOYSA-N 0 1 270.229 3.797 20 0 CHADMN CN(CCC(=O)c1cccs1)Cc1cc2ccccc2[nH]1 ZINC001137321002 1130346542 /nfs/dbraw/zinc/34/65/42/1130346542.db2.gz XHUHTEDOFQLYBE-UHFFFAOYSA-N 0 1 298.411 3.934 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C=Cc1ccccc1F ZINC000791054589 1130349030 /nfs/dbraw/zinc/34/90/30/1130349030.db2.gz DSABFVHLEQRYCT-SREVYHEPSA-N 0 1 295.317 3.662 20 0 CHADMN CCn1nc(C)c(CN(C)[C@@H](C)c2ccc(F)cc2)c1C ZINC000678127667 1130353660 /nfs/dbraw/zinc/35/36/60/1130353660.db2.gz AEBFNUCPMHSDDS-ZDUSSCGKSA-N 0 1 289.398 3.852 20 0 CHADMN O=C(c1ccc([O-])cc1)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000678130104 1130355225 /nfs/dbraw/zinc/35/52/25/1130355225.db2.gz OOEHSQXSKGGJNT-HNNXBMFYSA-N 0 1 299.414 3.643 20 0 CHADMN CC(C)c1ccc(CN(Cc2cn[nH]c2)C2CC2)cc1 ZINC000678126960 1130355778 /nfs/dbraw/zinc/35/57/78/1130355778.db2.gz CUOFJJOTKRRRAB-UHFFFAOYSA-N 0 1 269.392 3.698 20 0 CHADMN CN(Cc1ccsc1)Cc1cnc(-c2ccccc2)[nH]1 ZINC000678126548 1130355800 /nfs/dbraw/zinc/35/58/00/1130355800.db2.gz XBQYVRCEQQBMDH-UHFFFAOYSA-N 0 1 283.400 3.770 20 0 CHADMN Cc1ccc(CN(Cc2ccc3[nH]cnc3c2)C2CC2)o1 ZINC000678135825 1130356999 /nfs/dbraw/zinc/35/69/99/1130356999.db2.gz TUBYCZSVIWTFSU-UHFFFAOYSA-N 0 1 281.359 3.629 20 0 CHADMN Cc1ccc(CN(Cc2ccc3nc[nH]c3c2)C2CC2)o1 ZINC000678135825 1130357006 /nfs/dbraw/zinc/35/70/06/1130357006.db2.gz TUBYCZSVIWTFSU-UHFFFAOYSA-N 0 1 281.359 3.629 20 0 CHADMN CCCCN(Cc1cn[nH]c1)[C@@H](C)c1ccc(C)o1 ZINC000678162461 1130362454 /nfs/dbraw/zinc/36/24/54/1130362454.db2.gz DQICWPPYXIMEGP-ZDUSSCGKSA-N 0 1 261.369 3.674 20 0 CHADMN Cc1ccccc1CN(Cc1cn[nH]c1)Cc1ccccc1 ZINC000678157372 1130363128 /nfs/dbraw/zinc/36/31/28/1130363128.db2.gz DQNFKRQWKDVWOF-UHFFFAOYSA-N 0 1 291.398 3.921 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2nccc3ccccc32)on1 ZINC000678182728 1130367577 /nfs/dbraw/zinc/36/75/77/1130367577.db2.gz GPPHGOLRDZXVIH-KRWDZBQOSA-N 0 1 293.370 3.868 20 0 CHADMN CCOc1cccc(CN2CCC[C@H]2c2ccc(O)cc2)n1 ZINC000678212365 1130370473 /nfs/dbraw/zinc/37/04/73/1130370473.db2.gz BRVIOBVTAUEUER-KRWDZBQOSA-N 0 1 298.386 3.523 20 0 CHADMN COc1ccc(CN2CCOc3ccccc3[C@H]2C)cc1 ZINC000678197442 1130371279 /nfs/dbraw/zinc/37/12/79/1130371279.db2.gz YWCKBYDIDLEJDP-CQSZACIVSA-N 0 1 283.371 3.651 20 0 CHADMN CCSCSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000791433247 1130372969 /nfs/dbraw/zinc/37/29/69/1130372969.db2.gz SOBHXAQHOPBVPP-UHFFFAOYSA-N 0 1 287.360 3.553 20 0 CHADMN CC(C)(C)n1cc(CN2CCC[C@H]2c2ccc(O)cc2)cn1 ZINC000678213227 1130373112 /nfs/dbraw/zinc/37/31/12/1130373112.db2.gz PINHIFXOKHSERU-KRWDZBQOSA-N 0 1 299.418 3.681 20 0 CHADMN CCc1noc(CN(C)[C@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000678235733 1130376717 /nfs/dbraw/zinc/37/67/17/1130376717.db2.gz OJHVFKXGEHKPIT-HOTGVXAUSA-N 0 1 299.418 3.790 20 0 CHADMN CCN(Cc1ccoc1)Cc1ccnc2ccccc12 ZINC000678233928 1130376964 /nfs/dbraw/zinc/37/69/64/1130376964.db2.gz IHBAGLGBUYHYEK-UHFFFAOYSA-N 0 1 266.344 3.850 20 0 CHADMN c1cc2c(s1)CCCN(Cc1n[nH]c3ccccc31)C2 ZINC000678259179 1130380547 /nfs/dbraw/zinc/38/05/47/1130380547.db2.gz FEEVXGIJBXGVLI-UHFFFAOYSA-N 0 1 283.400 3.573 20 0 CHADMN c1cc2c(s1)CCCN(Cc1[nH]nc3ccccc31)C2 ZINC000678259179 1130380557 /nfs/dbraw/zinc/38/05/57/1130380557.db2.gz FEEVXGIJBXGVLI-UHFFFAOYSA-N 0 1 283.400 3.573 20 0 CHADMN C[C@@H]1CCCCCN1Cc1ncccc1C(F)(F)F ZINC000678265546 1130382890 /nfs/dbraw/zinc/38/28/90/1130382890.db2.gz WLBYGVGMOWGHQL-LLVKDONJSA-N 0 1 272.314 3.865 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cnn(C(C)C)c1 ZINC000678267887 1130384028 /nfs/dbraw/zinc/38/40/28/1130384028.db2.gz YERQEPVGNIVVAD-GOSISDBHSA-N 0 1 283.419 3.973 20 0 CHADMN CCOC[C@@H]1CCCN(Cc2cscc2Cl)C1 ZINC000678267375 1130384653 /nfs/dbraw/zinc/38/46/53/1130384653.db2.gz PSOODFJHVUIRDH-LLVKDONJSA-N 0 1 273.829 3.650 20 0 CHADMN C[C@H]1COCCCN1Cc1ccccc1OC1CCCC1 ZINC000678275526 1130386152 /nfs/dbraw/zinc/38/61/52/1130386152.db2.gz YGLDRKTVILMJGN-HNNXBMFYSA-N 0 1 289.419 3.619 20 0 CHADMN Cc1ccc(CCN(Cc2cn[nH]c2)Cc2ccco2)cc1 ZINC000678280755 1130388411 /nfs/dbraw/zinc/38/84/11/1130388411.db2.gz YPTCSBJRUZQNMQ-UHFFFAOYSA-N 0 1 295.386 3.556 20 0 CHADMN c1nc([C@H]2CCCO2)sc1CN1C2CCCC1CCC2 ZINC000678279241 1130388722 /nfs/dbraw/zinc/38/87/22/1130388722.db2.gz MCWMNAAMVAGDHL-SSDMNJCBSA-N 0 1 292.448 3.902 20 0 CHADMN c1oc2ccccc2c1CN1CCOC2(CCCCC2)C1 ZINC000678279132 1130389400 /nfs/dbraw/zinc/38/94/00/1130389400.db2.gz ILHWWCLUQLRFDV-UHFFFAOYSA-N 0 1 285.387 3.968 20 0 CHADMN COc1ccc(CN2C3CCCC2CCC3)c(OC)c1 ZINC000678281533 1130392070 /nfs/dbraw/zinc/39/20/70/1130392070.db2.gz PYRYXQOUNCIMCI-UHFFFAOYSA-N 0 1 275.392 3.611 20 0 CHADMN Cc1cc(C)c(CN2CCO[C@H](c3ccco3)C2)cc1C ZINC000678294021 1130393571 /nfs/dbraw/zinc/39/35/71/1130393571.db2.gz LCLYTYRJLNLWMP-SFHVURJKSA-N 0 1 285.387 3.778 20 0 CHADMN Cc1cc(C)c(C[N@H+]2CCO[C@H](c3ccco3)C2)cc1C ZINC000678294021 1130393568 /nfs/dbraw/zinc/39/35/68/1130393568.db2.gz LCLYTYRJLNLWMP-SFHVURJKSA-N 0 1 285.387 3.778 20 0 CHADMN C[C@H]1CCN(Cc2ccc(N(C)C)nc2)[C@@H](c2ccco2)C1 ZINC000678285820 1130394183 /nfs/dbraw/zinc/39/41/83/1130394183.db2.gz HXLYQBAOYUKXMA-GOEBONIOSA-N 0 1 299.418 3.714 20 0 CHADMN COc1cc(-c2ccc3nc[nH]c3c2C)cc(F)c1F ZINC001240661556 1130405652 /nfs/dbraw/zinc/40/56/52/1130405652.db2.gz DHYVFTSACCUSDG-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cnccc2C)c(F)c1 ZINC000678425762 1130414773 /nfs/dbraw/zinc/41/47/73/1130414773.db2.gz CNALZMATRWPNSS-CHWSQXEVSA-N 0 1 288.366 3.950 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](C)c2cnccc2C)o1 ZINC000678425555 1130415508 /nfs/dbraw/zinc/41/55/08/1130415508.db2.gz BBRWVALORDMBFH-OLZOCXBDSA-N 0 1 258.365 3.957 20 0 CHADMN CCC1(O)CCC(Nc2ccnc3cc(F)ccc32)CC1 ZINC000678482098 1130420892 /nfs/dbraw/zinc/42/08/92/1130420892.db2.gz YMECHGNCLGGVDE-UHFFFAOYSA-N 0 1 288.366 3.870 20 0 CHADMN CC(C)[C@H]1C[C@@H](Nc2ccnc3cc(F)ccc32)CCO1 ZINC000678483928 1130420965 /nfs/dbraw/zinc/42/09/65/1130420965.db2.gz JGGTXCHTAXDIQN-SUMWQHHRSA-N 0 1 288.366 3.989 20 0 CHADMN Fc1cccc(CN2CCC[C@H](c3cc[nH]n3)C2)c1Cl ZINC000678514539 1130423922 /nfs/dbraw/zinc/42/39/22/1130423922.db2.gz NMFXDZGWMKTOLF-NSHDSACASA-N 0 1 293.773 3.582 20 0 CHADMN CCCC[C@@H](CCC)CNC(=O)[C@@H]1CCN1C(C)(C)C ZINC001137340702 1130428004 /nfs/dbraw/zinc/42/80/04/1130428004.db2.gz MMBDLMCMGASVQK-CABCVRRESA-N 0 1 282.472 3.582 20 0 CHADMN O=C(Cc1n[nH]c2ccccc21)Nc1ccc(C2CC2)cc1 ZINC000678572558 1130430856 /nfs/dbraw/zinc/43/08/56/1130430856.db2.gz FDICYGXAUXBHDZ-UHFFFAOYSA-N 0 1 291.354 3.622 20 0 CHADMN COc1ccc(C)cc1CN[C@@H](C)c1ccc(C)nc1C ZINC000678582010 1130430950 /nfs/dbraw/zinc/43/09/50/1130430950.db2.gz KHQWUVUCYSSXMB-AWEZNQCLSA-N 0 1 284.403 3.866 20 0 CHADMN C[C@H](NCCSc1ccc(F)cc1)c1cscn1 ZINC000678585919 1130431987 /nfs/dbraw/zinc/43/19/87/1130431987.db2.gz QGJAWAKPEKDIFD-JTQLQIEISA-N 0 1 282.409 3.725 20 0 CHADMN CCN(Cc1c[nH]c2ccc(F)cc12)Cc1ccccn1 ZINC001137341456 1130434412 /nfs/dbraw/zinc/43/44/12/1130434412.db2.gz NMZBUPNMDQOGIF-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN Cc1cc(-c2noc([C@H](C)N[C@@H]3CC[C@H]3C)n2)ccc1F ZINC000792180086 1130436184 /nfs/dbraw/zinc/43/61/84/1130436184.db2.gz LFENCGVNOVAHEZ-OLUVUFQESA-N 0 1 289.354 3.633 20 0 CHADMN C[C@H](N[C@H](CO)CC1CC1)c1cc(Cl)sc1Cl ZINC000678606115 1130439684 /nfs/dbraw/zinc/43/96/84/1130439684.db2.gz GUCZPBUNODLMSV-CBAPKCEASA-N 0 1 294.247 3.867 20 0 CHADMN COc1c(F)ccc(F)c1-c1cc2nc[nH]c2cc1C ZINC001240723750 1130440307 /nfs/dbraw/zinc/44/03/07/1130440307.db2.gz WCRPHSKDROMELD-UHFFFAOYSA-N 0 1 274.270 3.825 20 0 CHADMN Clc1ccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000678639174 1130443840 /nfs/dbraw/zinc/44/38/40/1130443840.db2.gz NTMLDDPRFUHOQP-CVEARBPZSA-N 0 1 293.838 3.979 20 0 CHADMN COc1ccccc1[C@H](NCc1cc(C)n[nH]1)C1CCCC1 ZINC000678689752 1130446358 /nfs/dbraw/zinc/44/63/58/1130446358.db2.gz KYSWVNOGQFJBIY-GOSISDBHSA-N 0 1 299.418 3.748 20 0 CHADMN CCc1ccc(-c2noc(CN(C(C)C)C(C)C)n2)cc1 ZINC000678714326 1130447495 /nfs/dbraw/zinc/44/74/95/1130447495.db2.gz GISSVBHJITVVTA-UHFFFAOYSA-N 0 1 287.407 3.918 20 0 CHADMN C[C@H]1CCc2ccccc2[C@H]1NCc1cn2ccsc2n1 ZINC000678767456 1130450659 /nfs/dbraw/zinc/45/06/59/1130450659.db2.gz KKOLYYNULAJWFB-LRDDRELGSA-N 0 1 297.427 3.809 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2Cc2[nH]nc3ccccc32)cn1 ZINC001137351207 1130457135 /nfs/dbraw/zinc/45/71/35/1130457135.db2.gz SGTJVLYWSQOEMZ-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2n[nH]c3ccccc32)cn1 ZINC001137351207 1130457137 /nfs/dbraw/zinc/45/71/37/1130457137.db2.gz SGTJVLYWSQOEMZ-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2[nH]nc3ccccc32)cn1 ZINC001137351207 1130457142 /nfs/dbraw/zinc/45/71/42/1130457142.db2.gz SGTJVLYWSQOEMZ-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN CCN(Cc1n[nH]c2ccccc21)Cc1cccc(OC)c1 ZINC001137350630 1130458228 /nfs/dbraw/zinc/45/82/28/1130458228.db2.gz AOSNUPZVJYRPRE-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN CCN(Cc1[nH]nc2ccccc21)Cc1cccc(OC)c1 ZINC001137350630 1130458240 /nfs/dbraw/zinc/45/82/40/1130458240.db2.gz AOSNUPZVJYRPRE-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN COc1ccc(CN[C@@H](CC2CC2)c2ccccc2)nc1 ZINC000678892840 1130467601 /nfs/dbraw/zinc/46/76/01/1130467601.db2.gz VARJUTWYHXBYBS-SFHVURJKSA-N 0 1 282.387 3.721 20 0 CHADMN CC(=O)c1ccc(Nc2ccc3[nH]c(C)nc3c2)cc1 ZINC001213073425 1130469229 /nfs/dbraw/zinc/46/92/29/1130469229.db2.gz OSFWQYNNMVSNKG-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN CC[C@H](NCc1nc(C(C)(C)C)no1)C1CCCCC1 ZINC000678897487 1130469788 /nfs/dbraw/zinc/46/97/88/1130469788.db2.gz VBGXAEMLNLZKTC-ZDUSSCGKSA-N 0 1 279.428 3.816 20 0 CHADMN C[C@@H](Cc1ccccc1Cl)N1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001170276004 1130472783 /nfs/dbraw/zinc/47/27/83/1130472783.db2.gz LIKAWOTUSUJDIH-GZCFXPHUSA-N 0 1 267.775 3.561 20 0 CHADMN C[C@@H]1CC[C@H](C)CN1Cc1nc2c(s1)CCCC2 ZINC000678993249 1130480628 /nfs/dbraw/zinc/48/06/28/1130480628.db2.gz ZJBRFGVGIADHPS-NWDGAFQWSA-N 0 1 264.438 3.642 20 0 CHADMN Cc1nc2c(s1)[C@H](NCc1ccc(Cl)o1)CCC2 ZINC000678997051 1130481360 /nfs/dbraw/zinc/48/13/60/1130481360.db2.gz FDZCZKZJOUZDEM-SNVBAGLBSA-N 0 1 282.796 3.865 20 0 CHADMN Cc1nccc(NCc2cncc3ccccc32)c1Cl ZINC000792690018 1130493533 /nfs/dbraw/zinc/49/35/33/1130493533.db2.gz CSSNRBVMJOJDGP-UHFFFAOYSA-N 0 1 283.762 3.626 20 0 CHADMN Fc1ccc2nc(NCc3ccc4nc[nH]c4c3)sc2c1 ZINC000679118802 1130494663 /nfs/dbraw/zinc/49/46/63/1130494663.db2.gz LZJCUGXWFJAWIA-UHFFFAOYSA-N 0 1 298.346 3.924 20 0 CHADMN C[C@H]1Cc2ccccc2[C@@H]1Nc1cnn(-c2ccncc2)c1 ZINC000679128119 1130494970 /nfs/dbraw/zinc/49/49/70/1130494970.db2.gz SFYXYEJROJNROO-SCLBCKFNSA-N 0 1 290.370 3.613 20 0 CHADMN Cc1ccc([C@@H](C)Nc2cnn(-c3ccncc3)c2)cc1 ZINC000679125819 1130495120 /nfs/dbraw/zinc/49/51/20/1130495120.db2.gz BDDSMHPPCUCEMG-CQSZACIVSA-N 0 1 278.359 3.749 20 0 CHADMN c1nn(-c2ccncc2)cc1N[C@H]1CCCc2ccccc21 ZINC000679126396 1130495798 /nfs/dbraw/zinc/49/57/98/1130495798.db2.gz GCMHUJPCRBOPGV-SFHVURJKSA-N 0 1 290.370 3.757 20 0 CHADMN COc1ccc(-c2cccc(CN(C)C)c2F)cc1C ZINC001240866327 1130497488 /nfs/dbraw/zinc/49/74/88/1130497488.db2.gz DXNJFYHLYKROOV-UHFFFAOYSA-N 0 1 273.351 3.871 20 0 CHADMN c1ccc2c(c1)oc1c2cccc1-c1ncc2c(n1)CNC2 ZINC001240889592 1130503900 /nfs/dbraw/zinc/50/39/00/1130503900.db2.gz WKUPBZHVBSOXEK-UHFFFAOYSA-N 0 1 287.322 3.646 20 0 CHADMN CC(C)Oc1ccc(NCc2ccc3nc[nH]c3c2)cc1 ZINC000747098975 1130513813 /nfs/dbraw/zinc/51/38/13/1130513813.db2.gz AKZPQJPNBCAIOA-UHFFFAOYSA-N 0 1 281.359 3.962 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1ccc(-c2ccccc2)o1 ZINC000679333550 1130515517 /nfs/dbraw/zinc/51/55/17/1130515517.db2.gz PFLYSIFDDAJPDX-GFCCVEGCSA-N 0 1 281.359 3.829 20 0 CHADMN CCCCOc1ccc(CN2CC=CCC2)cc1OC ZINC000679358531 1130520166 /nfs/dbraw/zinc/52/01/66/1130520166.db2.gz IBBDXWDELZDMGI-UHFFFAOYSA-N 0 1 275.392 3.636 20 0 CHADMN Cc1ccccc1[C@@H]1CN(Cc2ccc(O)cc2)[C@@H](C)CO1 ZINC000679393951 1130525626 /nfs/dbraw/zinc/52/56/26/1130525626.db2.gz YEAKNRQXJJXXSB-KXBFYZLASA-N 0 1 297.398 3.663 20 0 CHADMN CC(C)(C)OCc1ccc(-c2ccc3[nH]nnc3c2)cc1 ZINC001240942054 1130526727 /nfs/dbraw/zinc/52/67/27/1130526727.db2.gz BIAAGHFVCPYIQL-UHFFFAOYSA-N 0 1 281.359 3.940 20 0 CHADMN CC(C)(C)OCc1ccc(-c2ccc3nn[nH]c3c2)cc1 ZINC001240942054 1130526729 /nfs/dbraw/zinc/52/67/29/1130526729.db2.gz BIAAGHFVCPYIQL-UHFFFAOYSA-N 0 1 281.359 3.940 20 0 CHADMN CC(C)OC(=O)c1cccc(-c2nccc3[nH]ccc32)c1 ZINC001240943756 1130527949 /nfs/dbraw/zinc/52/79/49/1130527949.db2.gz DIILYHORZPHHDP-UHFFFAOYSA-N 0 1 280.327 3.795 20 0 CHADMN CC(C)(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(F)F ZINC000793255949 1130536158 /nfs/dbraw/zinc/53/61/58/1130536158.db2.gz WSMHNNAKKLASRP-HTQZYQBOSA-N 0 1 259.262 3.741 20 0 CHADMN Cc1nc(CN(C)C[C@H]2CCc3ccccc32)cs1 ZINC000679535825 1130536439 /nfs/dbraw/zinc/53/64/39/1130536439.db2.gz ZZUPHWZRHOFDHH-CQSZACIVSA-N 0 1 272.417 3.613 20 0 CHADMN CCc1cnc(CN(C)C[C@H]2CCc3ccccc32)s1 ZINC000679536619 1130538270 /nfs/dbraw/zinc/53/82/70/1130538270.db2.gz PNZVDLXMDKHTOB-CQSZACIVSA-N 0 1 286.444 3.867 20 0 CHADMN CC(C)(C)c1ccc(CN2CC(c3ccccc3)C2)[nH]1 ZINC001137377650 1130539168 /nfs/dbraw/zinc/53/91/68/1130539168.db2.gz FEWLQPMMTQMIQD-UHFFFAOYSA-N 0 1 268.404 3.912 20 0 CHADMN COCc1ccc(CN2C[C@H](C(F)(F)F)CC[C@H]2C)o1 ZINC000679584659 1130543332 /nfs/dbraw/zinc/54/33/32/1130543332.db2.gz XRWRYRKGINGWHY-GHMZBOCLSA-N 0 1 291.313 3.589 20 0 CHADMN Cc1ccoc1CN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679583222 1130544439 /nfs/dbraw/zinc/54/44/39/1130544439.db2.gz CKZHGUXAFJDWCP-QWRGUYRKSA-N 0 1 261.287 3.751 20 0 CHADMN C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1n[nH]c2ccccc21 ZINC000679584097 1130544457 /nfs/dbraw/zinc/54/44/57/1130544457.db2.gz KSUHVUPRCQTJJT-QWRGUYRKSA-N 0 1 297.324 3.726 20 0 CHADMN C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1[nH]nc2ccccc21 ZINC000679584097 1130544469 /nfs/dbraw/zinc/54/44/69/1130544469.db2.gz KSUHVUPRCQTJJT-QWRGUYRKSA-N 0 1 297.324 3.726 20 0 CHADMN C[C@@H](c1ccccc1F)N1CCC[C@H](OC(F)F)C1 ZINC000679681688 1130551212 /nfs/dbraw/zinc/55/12/12/1130551212.db2.gz JRWSHCYAVHRQQP-QWRGUYRKSA-N 0 1 273.298 3.590 20 0 CHADMN Cc1cc2[nH]cnc2cc1-c1ccc(F)c(F)c1F ZINC001240990023 1130555236 /nfs/dbraw/zinc/55/52/36/1130555236.db2.gz WYWODOHJNQZEDF-UHFFFAOYSA-N 0 1 262.234 3.956 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(C(C)C)cc2)n(C)n1 ZINC000793520212 1130560582 /nfs/dbraw/zinc/56/05/82/1130560582.db2.gz DZBWKQGAIRUGDH-CQSZACIVSA-N 0 1 271.408 3.703 20 0 CHADMN CO[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000679951565 1130564344 /nfs/dbraw/zinc/56/43/44/1130564344.db2.gz PHEGBTNWOIIXDT-LBPRGKRZSA-N 0 1 288.218 3.994 20 0 CHADMN COc1cccc(F)c1-c1cc(F)c2c(c1)CN(C)CC2 ZINC001241013693 1130566065 /nfs/dbraw/zinc/56/60/65/1130566065.db2.gz JJCKMERRYPXBEZ-UHFFFAOYSA-N 0 1 289.325 3.628 20 0 CHADMN COc1ccccc1CN(C)C[C@]1(C)CC1(Cl)Cl ZINC000827353370 1130567111 /nfs/dbraw/zinc/56/71/11/1130567111.db2.gz BVSKZWLVHFTPOB-ZDUSSCGKSA-N 0 1 288.218 3.711 20 0 CHADMN Cc1cc([C@@H](C)NC2(c3ccc(F)cc3)CCC2)n(C)n1 ZINC000793549153 1130568600 /nfs/dbraw/zinc/56/86/00/1130568600.db2.gz QXAUTAUUIJOJOU-CYBMUJFWSA-N 0 1 287.382 3.598 20 0 CHADMN CO[C@H]1CCCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000680004076 1130570466 /nfs/dbraw/zinc/57/04/66/1130570466.db2.gz XFZZRXKOFOQPBP-LBPRGKRZSA-N 0 1 288.218 3.994 20 0 CHADMN CCOc1cccc([C@H](C)N[C@H](C)c2cc(C)nn2C)c1 ZINC000793529794 1130571574 /nfs/dbraw/zinc/57/15/74/1130571574.db2.gz VGCBZDIDSBPEFG-UONOGXRCSA-N 0 1 287.407 3.539 20 0 CHADMN CCN1CC[C@H](Oc2cc(C)c(Cl)cc2Cl)C1 ZINC001234056928 1130603197 /nfs/dbraw/zinc/60/31/97/1130603197.db2.gz INKUTUCBOFZDOF-JTQLQIEISA-N 0 1 274.191 3.775 20 0 CHADMN CC1(C)CCN(C(=O)c2c[nH]nc2C2CC2)c2ccccc21 ZINC000811548900 1130620544 /nfs/dbraw/zinc/62/05/44/1130620544.db2.gz IRKPDYAWQBQLLF-UHFFFAOYSA-N 0 1 295.386 3.615 20 0 CHADMN CC(C)N1CCC[C@@H](Oc2ccc(F)c(F)c2Cl)C1 ZINC001234233060 1130621184 /nfs/dbraw/zinc/62/11/84/1130621184.db2.gz DWYLHLLGMRHIKC-SNVBAGLBSA-N 0 1 289.753 3.870 20 0 CHADMN CSc1c(Cl)cccc1O[C@@H]1CCCN(C)C1 ZINC001234247489 1130624095 /nfs/dbraw/zinc/62/40/95/1130624095.db2.gz OAXOCCJAUBGWNL-SNVBAGLBSA-N 0 1 271.813 3.535 20 0 CHADMN CN(CCF)Cc1ccc(N(C)c2ccccc2F)cc1 ZINC001234251788 1130624135 /nfs/dbraw/zinc/62/41/35/1130624135.db2.gz SYZFNSWEKZOVKG-UHFFFAOYSA-N 0 1 290.357 3.995 20 0 CHADMN Cc1cc(C(F)(F)F)nn1CN1C[C@H](C)CCC[C@@H]1C ZINC000811753819 1130643380 /nfs/dbraw/zinc/64/33/80/1130643380.db2.gz YKZHRRTYSBTNGM-MNOVXSKESA-N 0 1 289.345 3.678 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)N(CCF)CCOC ZINC000759330114 1130652308 /nfs/dbraw/zinc/65/23/08/1130652308.db2.gz DLXHVGFJEARNLI-AWEZNQCLSA-N 0 1 273.779 3.709 20 0 CHADMN Cc1nc(C)c(CN(Cc2cccc(C)c2C)C2CC2)[nH]1 ZINC001234661896 1130670702 /nfs/dbraw/zinc/67/07/02/1130670702.db2.gz GANPMOFFFSTZME-UHFFFAOYSA-N 0 1 283.419 3.808 20 0 CHADMN C[C@H](Cc1ccccn1)NCc1c(F)cc(Cl)cc1F ZINC001256398612 1130673853 /nfs/dbraw/zinc/67/38/53/1130673853.db2.gz DKYXKUCAAZEGFD-SNVBAGLBSA-N 0 1 296.748 3.734 20 0 CHADMN c1nc(NCc2nc3c(s2)CCC3)cc2c1CCCC2 ZINC000812345521 1130686231 /nfs/dbraw/zinc/68/62/31/1130686231.db2.gz CHRVVUYAXWCAFM-UHFFFAOYSA-N 0 1 285.416 3.518 20 0 CHADMN CC(C)C[C@H](C(=O)NOC/C=C\Cl)c1ccccc1 ZINC000812398560 1130686535 /nfs/dbraw/zinc/68/65/35/1130686535.db2.gz SVXCNHJYRDZVAT-PIZKADEWSA-N 0 1 281.783 3.617 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@H](C)c1cncs1)CCC2 ZINC000780746420 1130689744 /nfs/dbraw/zinc/68/97/44/1130689744.db2.gz OFQMUWUMOVUIIP-SCZZXKLOSA-N 0 1 279.434 3.636 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@@H](C)c1ccc(F)cn1)CCC2 ZINC000780745506 1130690263 /nfs/dbraw/zinc/69/02/63/1130690263.db2.gz JPIPCHWRSWFEDW-TVQRCGJNSA-N 0 1 291.395 3.714 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)OC[C@@H]1C[C@H]1c1ccccc1 ZINC000812593578 1130702109 /nfs/dbraw/zinc/70/21/09/1130702109.db2.gz UAQHDTFLXFMFQV-GJZGRUSLSA-N 0 1 298.386 3.802 20 0 CHADMN CC(C)CCN(CCC(C)C)Cc1ncc(F)cn1 ZINC001235012639 1130703145 /nfs/dbraw/zinc/70/31/45/1130703145.db2.gz GMIQDQGXOHYVNS-UHFFFAOYSA-N 0 1 267.392 3.510 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)C2(F)CCCCC2)c1 ZINC000812703436 1130707288 /nfs/dbraw/zinc/70/72/88/1130707288.db2.gz CDFWWHCDBCRLMH-UHFFFAOYSA-N 0 1 293.338 3.596 20 0 CHADMN CCCCCCC(=O)Nc1cc(C(=O)CC)ccc1O ZINC000812706724 1130707555 /nfs/dbraw/zinc/70/75/55/1130707555.db2.gz XXZHCTVRZVGBBA-UHFFFAOYSA-N 0 1 277.364 3.894 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cccc(N3CCCC3)c2)CCC1(F)F ZINC001235083395 1130709378 /nfs/dbraw/zinc/70/93/78/1130709378.db2.gz CICKAMZCDJQEKM-CQSZACIVSA-N 0 1 294.389 3.764 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cccc(N3CCCC3)c2)C1 ZINC001235084775 1130709445 /nfs/dbraw/zinc/70/94/45/1130709445.db2.gz XPZRKNIETRXJMV-QGZVFWFLSA-N 0 1 276.399 3.611 20 0 CHADMN C[C@]1(F)CCCN(Cc2cccc(N3CCCC3)c2)C1 ZINC001235084774 1130709501 /nfs/dbraw/zinc/70/95/01/1130709501.db2.gz XPZRKNIETRXJMV-KRWDZBQOSA-N 0 1 276.399 3.611 20 0 CHADMN Cc1ncc([C@@H](C)Nc2cc3c(cn2)CCCC3)s1 ZINC000812741321 1130710406 /nfs/dbraw/zinc/71/04/06/1130710406.db2.gz SGQNXTOVIWIVHH-SNVBAGLBSA-N 0 1 273.405 3.898 20 0 CHADMN Cc1cc(F)c(CN2CCC3(CCCOC3)CC2)c(F)c1 ZINC001235196616 1130722346 /nfs/dbraw/zinc/72/23/46/1130722346.db2.gz FEXIZRCRWUIPBK-UHFFFAOYSA-N 0 1 295.373 3.666 20 0 CHADMN Fc1ccc(CNCc2ccc(SC(F)F)cc2)nc1 ZINC000781635418 1130732101 /nfs/dbraw/zinc/73/21/01/1130732101.db2.gz MHSZGXUUMYYHEK-UHFFFAOYSA-N 0 1 298.333 3.825 20 0 CHADMN Cc1cnc(F)c(CN(C)CCc2ccc(Cl)cc2)c1 ZINC001235340907 1130734142 /nfs/dbraw/zinc/73/41/42/1130734142.db2.gz WUQQJZCDGHPNKH-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN Cc1cnc(F)c(CN2CC[C@H](c3ccccc3F)C2)c1 ZINC001235333903 1130734542 /nfs/dbraw/zinc/73/45/42/1130734542.db2.gz JBMRWDZSTXXAEY-ZDUSSCGKSA-N 0 1 288.341 3.658 20 0 CHADMN CN(Cc1cc(F)c(F)c(F)c1F)C[C@H]1CC1(C)C ZINC001235351442 1130736299 /nfs/dbraw/zinc/73/62/99/1130736299.db2.gz PQVGZUPBGXJGLI-SECBINFHSA-N 0 1 275.289 3.721 20 0 CHADMN CC[C@H]1CCCC[C@@H]1C[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000692427842 1130739393 /nfs/dbraw/zinc/73/93/93/1130739393.db2.gz TZAUSTBFARATQW-DLBZAZTESA-N 0 1 289.419 3.790 20 0 CHADMN CC(C)Oc1ccnc(N(C)[C@@H]2CCc3ccccc32)c1 ZINC001158920599 1130740055 /nfs/dbraw/zinc/74/00/55/1130740055.db2.gz DFQSSGASXFBBHZ-QGZVFWFLSA-N 0 1 282.387 3.993 20 0 CHADMN Cc1cc(OC(C)C)ncc1CN1CC2(C1)CCCC2 ZINC001235424535 1130742710 /nfs/dbraw/zinc/74/27/10/1130742710.db2.gz VWSAWCJDFWONJA-UHFFFAOYSA-N 0 1 274.408 3.553 20 0 CHADMN COc1cc(C[N@H+]2CCC[C@H](C)[C@@H](C)C2)cc(F)c1F ZINC001235435417 1130742892 /nfs/dbraw/zinc/74/28/92/1130742892.db2.gz VXHXSRMHRBTXFN-RYUDHWBXSA-N 0 1 283.362 3.841 20 0 CHADMN COc1cc(C[N@H+]2CCC23CCCCC3)cc(F)c1F ZINC001235433944 1130743965 /nfs/dbraw/zinc/74/39/65/1130743965.db2.gz COFKZRUXFUWGCM-UHFFFAOYSA-N 0 1 281.346 3.882 20 0 CHADMN COc1cc(CN2CCC23CCCCC3)cc(F)c1F ZINC001235433944 1130743970 /nfs/dbraw/zinc/74/39/70/1130743970.db2.gz COFKZRUXFUWGCM-UHFFFAOYSA-N 0 1 281.346 3.882 20 0 CHADMN COc1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cc(F)c1F ZINC001235435116 1130744006 /nfs/dbraw/zinc/74/40/06/1130744006.db2.gz UFYBKXNHNSISRD-QWHCGFSZSA-N 0 1 281.346 3.595 20 0 CHADMN COc1cc(CN2CC[C@@H]3CCC[C@@H]3C2)cc(F)c1F ZINC001235435116 1130744010 /nfs/dbraw/zinc/74/40/10/1130744010.db2.gz UFYBKXNHNSISRD-QWHCGFSZSA-N 0 1 281.346 3.595 20 0 CHADMN Cc1ccc(Br)c(CN2CCC[C@H]2C)c1F ZINC001235740768 1130775143 /nfs/dbraw/zinc/77/51/43/1130775143.db2.gz CMARGHIMXFLRFR-SNVBAGLBSA-N 0 1 286.188 3.881 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cncc(OC)c1C ZINC001235471590 1130747374 /nfs/dbraw/zinc/74/73/74/1130747374.db2.gz UIBZSKPXQOEUJE-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN FC(F)[C@H]1CCC[N@@H+](Cc2c[nH]c3cnc(Cl)cc23)C1 ZINC001235518865 1130750685 /nfs/dbraw/zinc/75/06/85/1130750685.db2.gz CXXHATZABUXHSM-VIFPVBQESA-N 0 1 299.752 3.693 20 0 CHADMN FC(F)[C@H]1CCCN(Cc2c[nH]c3cnc(Cl)cc23)C1 ZINC001235518865 1130750687 /nfs/dbraw/zinc/75/06/87/1130750687.db2.gz CXXHATZABUXHSM-VIFPVBQESA-N 0 1 299.752 3.693 20 0 CHADMN Clc1cc2c(CN3CC(c4ccccc4)C3)c[nH]c2cn1 ZINC001235521922 1130750892 /nfs/dbraw/zinc/75/08/92/1130750892.db2.gz UVJAMVQVGFQMRU-UHFFFAOYSA-N 0 1 297.789 3.816 20 0 CHADMN Cc1cc(Cl)cc(CN2CC(c3cccnc3)C2)c1 ZINC001235537885 1130753462 /nfs/dbraw/zinc/75/34/62/1130753462.db2.gz LWHYCYUPLVUOLN-UHFFFAOYSA-N 0 1 272.779 3.643 20 0 CHADMN C[C@@H]1CC[C@]2(CCN(Cc3cnc(Cl)s3)C2)C1 ZINC000782106769 1130755371 /nfs/dbraw/zinc/75/53/71/1130755371.db2.gz JMHZIXVCKIAZGF-MFKMUULPSA-N 0 1 270.829 3.809 20 0 CHADMN COc1ncc(CN2CC[C@@]3(CC[C@H](C)C3)C2)cc1Cl ZINC000782108505 1130755712 /nfs/dbraw/zinc/75/57/12/1130755712.db2.gz RIYOVQDTIHNJNN-BLLLJJGKSA-N 0 1 294.826 3.756 20 0 CHADMN CC(C)(C)OC(=O)n1cccc1CN1CCC[C@@H](F)CC1 ZINC001235622570 1130758381 /nfs/dbraw/zinc/75/83/81/1130758381.db2.gz BRJXSAKLRMHMPY-CYBMUJFWSA-N 0 1 296.386 3.595 20 0 CHADMN C[C@@H]1CN(Cc2ccccc2-c2ccncc2)CCCC1=O ZINC001235613183 1130759188 /nfs/dbraw/zinc/75/91/88/1130759188.db2.gz SOVRNKZCBGYOTJ-OAHLLOKOSA-N 0 1 294.398 3.550 20 0 CHADMN CC[C@@H]1CCCN(Cc2c(C)cncc2Br)C1 ZINC001235642434 1130760993 /nfs/dbraw/zinc/76/09/93/1130760993.db2.gz NSEVIKUBGDLTGJ-GFCCVEGCSA-N 0 1 297.240 3.775 20 0 CHADMN CCCN(Cc1n[nH]c2cc(N)ccc21)Cc1ccccc1 ZINC001235661960 1130762627 /nfs/dbraw/zinc/76/26/27/1130762627.db2.gz BAHOZPLEEYLLMG-UHFFFAOYSA-N 0 1 294.402 3.557 20 0 CHADMN Cc1cccc2c1CN(Cc1nc3ccc(F)cc3[nH]1)C2 ZINC001235685049 1130768480 /nfs/dbraw/zinc/76/84/80/1130768480.db2.gz XQWKYEQUXCBQJI-UHFFFAOYSA-N 0 1 281.334 3.526 20 0 CHADMN Fc1ccc2[nH]c(CN3CCCCCCCC3)nc2c1 ZINC001235701713 1130770229 /nfs/dbraw/zinc/77/02/29/1130770229.db2.gz RJZVGRPZFNCREM-UHFFFAOYSA-N 0 1 275.371 3.858 20 0 CHADMN Nc1ccc(CN2CCC[C@@H]2c2ccccc2F)cc1F ZINC001235718774 1130774146 /nfs/dbraw/zinc/77/41/46/1130774146.db2.gz NKWCGAVMSYIARV-QGZVFWFLSA-N 0 1 288.341 3.884 20 0 CHADMN Cc1cc(F)cc(Cl)c1-c1ccc2[nH]nnc2c1 ZINC001245057946 1130778905 /nfs/dbraw/zinc/77/89/05/1130778905.db2.gz FJYWDVUBKIVRBI-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN Cc1cc(F)cc(Cl)c1-c1ccc2nn[nH]c2c1 ZINC001245057946 1130778908 /nfs/dbraw/zinc/77/89/08/1130778908.db2.gz FJYWDVUBKIVRBI-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN CSCc1cccc(CNCc2ccc(Cl)nc2)c1 ZINC000782534815 1130782726 /nfs/dbraw/zinc/78/27/26/1130782726.db2.gz IKJXTVKGFBKKEI-UHFFFAOYSA-N 0 1 292.835 3.888 20 0 CHADMN Cc1ccoc1CNCc1cc(C)cc(Br)c1 ZINC000813790975 1130784298 /nfs/dbraw/zinc/78/42/98/1130784298.db2.gz LWNVXUUFBVQAGI-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN Cc1cc([C@H]2CCCN2CCCc2ccsc2)no1 ZINC000782900803 1130791263 /nfs/dbraw/zinc/79/12/63/1130791263.db2.gz WIAAWEIPPIRFGI-OAHLLOKOSA-N 0 1 276.405 3.814 20 0 CHADMN C[C@@H]1CC[C@@H]1N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000783259374 1130807625 /nfs/dbraw/zinc/80/76/25/1130807625.db2.gz CBXAGDKMYXYIPU-ISTRZQFTSA-N 0 1 270.351 3.698 20 0 CHADMN COc1ccc2c(c1)[C@H](N[C@H](C)c1nccnc1C)CCC2 ZINC000783253048 1130808170 /nfs/dbraw/zinc/80/81/70/1130808170.db2.gz FUKIJUCFNSBZQJ-CXAGYDPISA-N 0 1 297.402 3.522 20 0 CHADMN C[C@@H]1CC[C@@H]1N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000783259388 1130808346 /nfs/dbraw/zinc/80/83/46/1130808346.db2.gz CBXAGDKMYXYIPU-PVUWLOKVSA-N 0 1 270.351 3.698 20 0 CHADMN CC(C)c1nc([C@@H](C)NC[C@@H]2CCC=CO2)cs1 ZINC000783310278 1130814917 /nfs/dbraw/zinc/81/49/17/1130814917.db2.gz NMEHAVKIMHFPNN-NEPJUHHUSA-N 0 1 266.410 3.610 20 0 CHADMN Cc1nc(-c2c(F)cc(F)c(O)c2F)cc(C(C)C)n1 ZINC001235986422 1130822798 /nfs/dbraw/zinc/82/27/98/1130822798.db2.gz RSZRKBAJNZXPIZ-UHFFFAOYSA-N 0 1 282.265 3.698 20 0 CHADMN Cc1ccc2c(c1)ncnc2-c1c(F)cc(F)c(O)c1F ZINC001235983531 1130823480 /nfs/dbraw/zinc/82/34/80/1130823480.db2.gz DLSJLGQJTKTLMY-UHFFFAOYSA-N 0 1 290.244 3.728 20 0 CHADMN Oc1c(F)cc(F)c(-c2ncc3ccc(F)cc3n2)c1F ZINC001235987774 1130823686 /nfs/dbraw/zinc/82/36/86/1130823686.db2.gz YWFPNJVVWIOLAU-UHFFFAOYSA-N 0 1 294.207 3.559 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc3occc3n2)c1F ZINC001235986181 1130823841 /nfs/dbraw/zinc/82/38/41/1130823841.db2.gz SFKPPGNBXOQPSF-UHFFFAOYSA-N 0 1 265.190 3.618 20 0 CHADMN Oc1c(F)cc(F)c(-c2cc(C3CC3)cnc2F)c1F ZINC001235994859 1130825313 /nfs/dbraw/zinc/82/53/13/1130825313.db2.gz MFHULMKSBKPIEH-UHFFFAOYSA-N 0 1 283.224 3.888 20 0 CHADMN Oc1c(F)cc(F)c(-c2ncnc3c2CCCCC3)c1F ZINC001235992685 1130825910 /nfs/dbraw/zinc/82/59/10/1130825910.db2.gz JZCGYFXWOUTCSK-UHFFFAOYSA-N 0 1 294.276 3.535 20 0 CHADMN CSc1cc(C)c(-c2c(F)cc(F)c(O)c2F)cn1 ZINC001235999703 1130826287 /nfs/dbraw/zinc/82/62/87/1130826287.db2.gz MGEJECLLSVGIQO-UHFFFAOYSA-N 0 1 285.290 3.902 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc3ocnc3c2)c1F ZINC001235998555 1130826361 /nfs/dbraw/zinc/82/63/61/1130826361.db2.gz OZKYQKHUSPFVRM-UHFFFAOYSA-N 0 1 265.190 3.618 20 0 CHADMN CNc1ccccc1-c1c(F)cc(F)c(O)c1F ZINC001235999482 1130826397 /nfs/dbraw/zinc/82/63/97/1130826397.db2.gz HPDCGSPWUMKROT-UHFFFAOYSA-N 0 1 253.223 3.518 20 0 CHADMN Cc1nc2cc(-c3c(F)cc(F)c(O)c3F)ccc2o1 ZINC001235997993 1130826754 /nfs/dbraw/zinc/82/67/54/1130826754.db2.gz JCCJENMAPFIJSJ-UHFFFAOYSA-N 0 1 279.217 3.926 20 0 CHADMN COC(=O)c1cc(C)ccc1-c1c(F)cc(F)c(O)c1F ZINC001235998205 1130827621 /nfs/dbraw/zinc/82/76/21/1130827621.db2.gz VRENSEYPOWJOFB-UHFFFAOYSA-N 0 1 296.244 3.572 20 0 CHADMN COc1c(C)cccc1-c1c(F)cc(F)c(O)c1F ZINC001236002365 1130828951 /nfs/dbraw/zinc/82/89/51/1130828951.db2.gz NLBWYVPYAJTDIA-UHFFFAOYSA-N 0 1 268.234 3.794 20 0 CHADMN CCN(c1ccc(NCC[C@H]2CCOC2)cc1)C(C)C ZINC000783577675 1130840695 /nfs/dbraw/zinc/84/06/95/1130840695.db2.gz YXKUUCQWYOTJLD-HNNXBMFYSA-N 0 1 276.424 3.760 20 0 CHADMN Clc1cccc2c1CN(Cc1ccc3c(c1)NCC3)CC2 ZINC001236079446 1130851065 /nfs/dbraw/zinc/85/10/65/1130851065.db2.gz SMACVZZTUZJWGU-UHFFFAOYSA-N 0 1 298.817 3.866 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1ccc(Cl)cc1 ZINC001236092524 1130857207 /nfs/dbraw/zinc/85/72/07/1130857207.db2.gz ZHDFAVALEZTYCA-UHFFFAOYSA-N 0 1 258.708 3.892 20 0 CHADMN Cc1cccc(CN2CCc3cc(N)ccc3C2)c1Cl ZINC001236105100 1130864821 /nfs/dbraw/zinc/86/48/21/1130864821.db2.gz FZJDWRBEQJIRRN-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN CCCCOc1ccc(CNCc2cccc(F)n2)cc1 ZINC000747936364 1130866410 /nfs/dbraw/zinc/86/64/10/1130866410.db2.gz UWXXFRBBHHKLPD-UHFFFAOYSA-N 0 1 288.366 3.689 20 0 CHADMN CCc1oc2ccccc2c1CNCc1cccc(F)n1 ZINC000747936874 1130867834 /nfs/dbraw/zinc/86/78/34/1130867834.db2.gz BDYUSGFAXNYWGX-UHFFFAOYSA-N 0 1 284.334 3.819 20 0 CHADMN CN[C@H]1CCN1Cc1ccc(Oc2ccccc2)cc1C ZINC001236166317 1130877629 /nfs/dbraw/zinc/87/76/29/1130877629.db2.gz FGEYCUFHGYYYFF-GOSISDBHSA-N 0 1 282.387 3.539 20 0 CHADMN CN[C@H]1CCN1Cc1ccccc1-c1ccccc1Cl ZINC001236165782 1130877942 /nfs/dbraw/zinc/87/79/42/1130877942.db2.gz GBERCEUGULBACO-QGZVFWFLSA-N 0 1 286.806 3.758 20 0 CHADMN CN[C@@H]1CCN1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001236168181 1130878303 /nfs/dbraw/zinc/87/83/03/1130878303.db2.gz UNMBIDCCSOURFI-SFHVURJKSA-N 0 1 291.398 3.586 20 0 CHADMN CCn1c2ccccc2c2cc(CN3CC[C@H]3NC)ccc21 ZINC001236166906 1130878574 /nfs/dbraw/zinc/87/85/74/1130878574.db2.gz JSQDPNQVTZXBDW-IBGZPJMESA-N 0 1 293.414 3.566 20 0 CHADMN CN[C@H]1CCN1Cc1ccc(N(C)c2cccc(C)c2)cc1 ZINC001236167390 1130878787 /nfs/dbraw/zinc/87/87/87/1130878787.db2.gz OAJOVFMBTCMDNA-LJQANCHMSA-N 0 1 295.430 3.514 20 0 CHADMN Cc1ccc(CN2CCc3ccc(N)cc3C2)cc1Cl ZINC001236234154 1130901054 /nfs/dbraw/zinc/90/10/54/1130901054.db2.gz YEGRSLBBJMXOEX-UHFFFAOYSA-N 0 1 286.806 3.789 20 0 CHADMN CCSCSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000814738990 1130905250 /nfs/dbraw/zinc/90/52/50/1130905250.db2.gz VZKOKKWNVGAPIM-VOTSOKGWSA-N 0 1 281.406 3.679 20 0 CHADMN CN(C)Cc1cncc(C2=CC[C@@H](C(F)(F)F)CC2)c1 ZINC001236256908 1130907407 /nfs/dbraw/zinc/90/74/07/1130907407.db2.gz UOKZXZABIDNYTO-CQSZACIVSA-N 0 1 284.325 3.889 20 0 CHADMN CC1(C)[C@@H]2C[C@@H](n3cncc3CNCc3ccccc3)C[C@@H]21 ZINC001170764445 1130909525 /nfs/dbraw/zinc/90/95/25/1130909525.db2.gz IUJVZSVWTUQEJM-XGWQRUHWSA-N 0 1 295.430 3.780 20 0 CHADMN Cc1cc(-c2c(F)ccc(C)c2O)cc2nc[nH]c21 ZINC001236402307 1130928463 /nfs/dbraw/zinc/92/84/63/1130928463.db2.gz KRRPEUHAAVKRRB-UHFFFAOYSA-N 0 1 256.280 3.691 20 0 CHADMN Cc1ccc(F)c(-c2cccc(CN(C)C)c2F)c1O ZINC001236413677 1130932322 /nfs/dbraw/zinc/93/23/22/1130932322.db2.gz DMFMBRNHEAMUQX-UHFFFAOYSA-N 0 1 277.314 3.707 20 0 CHADMN CO[C@H](CN[C@H](CCC(C)C)c1ccoc1)C(F)(F)F ZINC000796871266 1130941906 /nfs/dbraw/zinc/94/19/06/1130941906.db2.gz FJKKPFVMHKCEJZ-CHWSQXEVSA-N 0 1 293.329 3.924 20 0 CHADMN CC(C)OCc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000796874050 1130942358 /nfs/dbraw/zinc/94/23/58/1130942358.db2.gz QCPQZRIFVSCIIA-MRXNPFEDSA-N 0 1 285.391 3.824 20 0 CHADMN c1n[nH]c2c1[C@H](Nc1ccc3nc(C4CC4)oc3c1)CCC2 ZINC000796885408 1130943002 /nfs/dbraw/zinc/94/30/02/1130943002.db2.gz HHUVNCISBAAHHL-CYBMUJFWSA-N 0 1 294.358 3.918 20 0 CHADMN CC[C@]1(C)Oc2ccc(N[C@@H]3CCCc4[nH]ncc43)cc2O1 ZINC000796959233 1130948626 /nfs/dbraw/zinc/94/86/26/1130948626.db2.gz MUUIGDKQEHNQFK-CXAGYDPISA-N 0 1 299.374 3.797 20 0 CHADMN CC1(C)Cc2cccc(N[C@@H]3CCCc4[nH]ncc43)c2O1 ZINC000796966202 1130949664 /nfs/dbraw/zinc/94/96/64/1130949664.db2.gz KQSYMHCHADEJDW-CYBMUJFWSA-N 0 1 283.375 3.613 20 0 CHADMN Cc1cc(Cl)cc(CN2[C@H](C)CCC[C@@H]2C)n1 ZINC001236632301 1130985524 /nfs/dbraw/zinc/98/55/24/1130985524.db2.gz BRZSCKIPDYNYOB-TXEJJXNPSA-N 0 1 252.789 3.806 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@H+]1Cc1ccnc(Br)c1 ZINC000815036162 1130954137 /nfs/dbraw/zinc/95/41/37/1130954137.db2.gz RVBYKGFWYSFBRX-GFCCVEGCSA-N 0 1 297.240 3.855 20 0 CHADMN CC(C)(C)[C@H]1CCCN1Cc1ccnc(Br)c1 ZINC000815036162 1130954144 /nfs/dbraw/zinc/95/41/44/1130954144.db2.gz RVBYKGFWYSFBRX-GFCCVEGCSA-N 0 1 297.240 3.855 20 0 CHADMN CC(C)Nc1ccc(-c2cccc3cncn32)cc1 ZINC001236485225 1130954179 /nfs/dbraw/zinc/95/41/79/1130954179.db2.gz ZTFJJGSOPXQXSV-UHFFFAOYSA-N 0 1 251.333 3.822 20 0 CHADMN Cc1ccc(-c2ccc3nc[nH]c3c2C)c2c[nH]nc21 ZINC001236494203 1130956288 /nfs/dbraw/zinc/95/62/88/1130956288.db2.gz ZKLNOMQCEPNRED-UHFFFAOYSA-N 0 1 262.316 3.723 20 0 CHADMN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2ccnc(Br)c2)C1 ZINC000815099948 1130960776 /nfs/dbraw/zinc/96/07/76/1130960776.db2.gz IZPMDCSOFAWLRW-GRYCIOLGSA-N 0 1 297.240 3.711 20 0 CHADMN C[C@H]1CN(Cc2cnc(-c3ccccc3)s2)[C@H]1C ZINC000815163557 1130963472 /nfs/dbraw/zinc/96/34/72/1130963472.db2.gz PMGRHCBUYDDORT-RYUDHWBXSA-N 0 1 258.390 3.650 20 0 CHADMN C[C@@H]1CN(Cc2cc(Cl)nc3ccccc23)[C@@H]1C ZINC000815161878 1130963575 /nfs/dbraw/zinc/96/35/75/1130963575.db2.gz CYQNLYUPMHSDHQ-GHMZBOCLSA-N 0 1 260.768 3.728 20 0 CHADMN Fc1cccc(CNCc2ccc(C3CCC3)cc2)n1 ZINC000815131624 1130964623 /nfs/dbraw/zinc/96/46/23/1130964623.db2.gz IPDYHFLGPKGQBU-UHFFFAOYSA-N 0 1 270.351 3.778 20 0 CHADMN Cc1c(F)ccc(F)c1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159311716 1130973205 /nfs/dbraw/zinc/97/32/05/1130973205.db2.gz OZFCBEJHIMTPCF-LBPRGKRZSA-N 0 1 293.317 3.819 20 0 CHADMN Cc1ccc(NC2CC(C)(C)OC(C)(C)C2)nc1C ZINC001159315061 1130976175 /nfs/dbraw/zinc/97/61/75/1130976175.db2.gz GXENLIDNQPNYRP-UHFFFAOYSA-N 0 1 262.397 3.847 20 0 CHADMN Cc1c(Br)cccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC001236604569 1130981924 /nfs/dbraw/zinc/98/19/24/1130981924.db2.gz CWNCKVDTDHTFNG-LLVKDONJSA-N 0 1 282.225 3.989 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cc(F)cc3c2OCCC3)[C@H]1C ZINC001236624801 1130984738 /nfs/dbraw/zinc/98/47/38/1130984738.db2.gz XMHPBVNHBFWWKB-OLZOCXBDSA-N 0 1 277.383 3.771 20 0 CHADMN Cc1cc(Cl)cc(CN2CC[C@H](C)C[C@@H]2C)n1 ZINC001236642385 1130988428 /nfs/dbraw/zinc/98/84/28/1130988428.db2.gz FOMKGBHQROXBHA-JQWIXIFHSA-N 0 1 252.789 3.664 20 0 CHADMN COc1ccc2sc(CN(C)Cc3ccncc3)cc2c1 ZINC001236656545 1130989251 /nfs/dbraw/zinc/98/92/51/1130989251.db2.gz SSTLWROIKSDFIM-UHFFFAOYSA-N 0 1 298.411 3.937 20 0 CHADMN COc1cccc(Br)c1CN1CCCC12CC2 ZINC001236670939 1130991279 /nfs/dbraw/zinc/99/12/79/1130991279.db2.gz XTCZYVAQTDBLJK-UHFFFAOYSA-N 0 1 296.208 3.586 20 0 CHADMN CN(Cc1ccccn1)Cc1cccc2sccc21 ZINC001236681443 1130992158 /nfs/dbraw/zinc/99/21/58/1130992158.db2.gz FMOXCJVJVQPATN-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN CN(Cc1ccno1)Cc1cccc2sccc21 ZINC001236682029 1130993260 /nfs/dbraw/zinc/99/32/60/1130993260.db2.gz JZHWAHFVKFESDK-UHFFFAOYSA-N 0 1 258.346 3.521 20 0 CHADMN F[C@@H]1CSC2(CN(Cc3cccc4sccc43)C2)C1 ZINC001236690143 1130994818 /nfs/dbraw/zinc/99/48/18/1130994818.db2.gz PXNYWRAZAXSLPE-LBPRGKRZSA-N 0 1 293.432 3.931 20 0 CHADMN [O-]c1cc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)ccc1F ZINC001236705664 1130995818 /nfs/dbraw/zinc/99/58/18/1130995818.db2.gz PERPYXBULBRFFW-MRXNPFEDSA-N 0 1 285.362 3.596 20 0 CHADMN [O-]c1cc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)ccc1F ZINC001236705664 1130995823 /nfs/dbraw/zinc/99/58/23/1130995823.db2.gz PERPYXBULBRFFW-MRXNPFEDSA-N 0 1 285.362 3.596 20 0 CHADMN Oc1cc(CN2CCC(c3cccs3)CC2)ccc1F ZINC001236705657 1130995982 /nfs/dbraw/zinc/99/59/82/1130995982.db2.gz PBWQAKZUTGKMQJ-UHFFFAOYSA-N 0 1 291.391 3.972 20 0 CHADMN [O-]c1cc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)ccc1F ZINC001236707470 1130996145 /nfs/dbraw/zinc/99/61/45/1130996145.db2.gz GQPMUQLJSIIPHC-ZIAGYGMSSA-N 0 1 263.356 3.543 20 0 CHADMN [O-]c1cc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)ccc1F ZINC001236707470 1130996149 /nfs/dbraw/zinc/99/61/49/1130996149.db2.gz GQPMUQLJSIIPHC-ZIAGYGMSSA-N 0 1 263.356 3.543 20 0 CHADMN C[N@H+](CCCc1ccccc1)Cc1ccc(F)c([O-])c1 ZINC001236704735 1130996326 /nfs/dbraw/zinc/99/63/26/1130996326.db2.gz ALXWWZZZPGZJAL-UHFFFAOYSA-N 0 1 273.351 3.596 20 0 CHADMN C[N@@H+](CCCc1ccccc1)Cc1ccc(F)c([O-])c1 ZINC001236704735 1130996329 /nfs/dbraw/zinc/99/63/29/1130996329.db2.gz ALXWWZZZPGZJAL-UHFFFAOYSA-N 0 1 273.351 3.596 20 0 CHADMN Oc1cc(CN2CC[C@@H](c3ccccc3F)C2)ccc1F ZINC001236704974 1130996859 /nfs/dbraw/zinc/99/68/59/1130996859.db2.gz HTSDMVGAQTXREG-CYBMUJFWSA-N 0 1 289.325 3.660 20 0 CHADMN Cc1cc(CN[C@@H]2CSc3ccccc32)cc(Cl)n1 ZINC000797602370 1130997748 /nfs/dbraw/zinc/99/77/48/1130997748.db2.gz LPDHZWAUSADQJC-CYBMUJFWSA-N 0 1 290.819 3.980 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)N[C@@H](C)c1ccccn1 ZINC000815552984 1130998240 /nfs/dbraw/zinc/99/82/40/1130998240.db2.gz OXESIIQLKADUHY-STQMWFEESA-N 0 1 258.340 3.941 20 0 CHADMN COC(=O)c1cc(Cl)cc(CN2C[C@H](C)CC23CC3)c1 ZINC001236777908 1131004468 /nfs/dbraw/zinc/00/44/68/1131004468.db2.gz KKTMTPLIBSNCMZ-LLVKDONJSA-N 0 1 293.794 3.501 20 0 CHADMN CCCC1CCN(Cc2cc(F)cc(C(=O)OC)c2)CC1 ZINC001236778844 1131004491 /nfs/dbraw/zinc/00/44/91/1131004491.db2.gz OUPRGTFRUHICQL-UHFFFAOYSA-N 0 1 293.382 3.624 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(C(C)(F)F)cc2)n(C)n1 ZINC000815637751 1131013872 /nfs/dbraw/zinc/01/38/72/1131013872.db2.gz FHOBVIHDSRFHSC-GFCCVEGCSA-N 0 1 293.361 3.691 20 0 CHADMN Cc1cccc(C)c1-c1cccc(CN2CC(C)(CO)C2)c1 ZINC001236822291 1131014186 /nfs/dbraw/zinc/01/41/86/1131014186.db2.gz HDNABOFAUVSLPX-UHFFFAOYSA-N 0 1 295.426 3.785 20 0 CHADMN COc1cc(CN2CCC23CCCCC3)c(F)cc1F ZINC001236819113 1131014199 /nfs/dbraw/zinc/01/41/99/1131014199.db2.gz ZGKIGCJSXOXRDX-UHFFFAOYSA-N 0 1 281.346 3.882 20 0 CHADMN Clc1nc2ccsc2cc1CN1CCCC1 ZINC001236858625 1131022472 /nfs/dbraw/zinc/02/24/72/1131022472.db2.gz DISSRQWOVQMVEE-UHFFFAOYSA-N 0 1 252.770 3.546 20 0 CHADMN CN(Cc1cc2sccc2nc1Cl)C1CCOCC1 ZINC001236858667 1131026148 /nfs/dbraw/zinc/02/61/48/1131026148.db2.gz DLBCIEUKXDKFRI-UHFFFAOYSA-N 0 1 296.823 3.561 20 0 CHADMN Cc1cccc(-c2ccc(CN(C)[C@@H]3CCOC3)cn2)c1C ZINC001236991876 1131034875 /nfs/dbraw/zinc/03/48/75/1131034875.db2.gz FYJIBOPNCYODDA-QGZVFWFLSA-N 0 1 296.414 3.586 20 0 CHADMN C[N@H+](Cc1cc(O)cc2ccccc21)C[C@H]1CCCCO1 ZINC001237069155 1131044917 /nfs/dbraw/zinc/04/49/17/1131044917.db2.gz RFBKYJTXLOYMLB-QGZVFWFLSA-N 0 1 285.387 3.546 20 0 CHADMN CN(Cc1cc(O)cc2ccccc21)C1CC(F)(F)C1 ZINC001237065515 1131045193 /nfs/dbraw/zinc/04/51/93/1131045193.db2.gz LNKFBNQQPLOLPX-UHFFFAOYSA-N 0 1 277.314 3.775 20 0 CHADMN Cc1cc(Br)c(CN(C)CCC2CC2)cc1O ZINC001237305628 1131082038 /nfs/dbraw/zinc/08/20/38/1131082038.db2.gz AXARQLCNVUWLBY-UHFFFAOYSA-N 0 1 298.224 3.695 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1cccc(OC(C)(C)C)c1 ZINC001237098400 1131049102 /nfs/dbraw/zinc/04/91/02/1131049102.db2.gz LDPLGFWQHVREDM-OCCSQVGLSA-N 0 1 265.372 3.796 20 0 CHADMN F[C@H]1CN(Cc2ccc(C3CCC3)cc2)C[C@@H]2C[C@@H]21 ZINC001237109086 1131053177 /nfs/dbraw/zinc/05/31/77/1131053177.db2.gz QTWFGZUROVVNBX-ULQDDVLXSA-N 0 1 259.368 3.744 20 0 CHADMN Fc1ccc(CN2CC[C@@H](c3ccccn3)C2)c(Cl)c1 ZINC000798962389 1131064509 /nfs/dbraw/zinc/06/45/09/1131064509.db2.gz LUPYMZQKXOBRAB-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN COc1ccccc1[C@@H]1CC[N@H+](Cc2occc2[S-])C1 ZINC001237183824 1131064495 /nfs/dbraw/zinc/06/44/95/1131064495.db2.gz VEMFGHWNCSYJBJ-GFCCVEGCSA-N 0 1 289.400 3.566 20 0 CHADMN COc1ccccc1[C@@H]1CC[N@@H+](Cc2occc2[S-])C1 ZINC001237183824 1131064501 /nfs/dbraw/zinc/06/45/01/1131064501.db2.gz VEMFGHWNCSYJBJ-GFCCVEGCSA-N 0 1 289.400 3.566 20 0 CHADMN Cc1ccc(C)c([C@H](C)N(C)Cc2cnc(Cl)cn2)c1 ZINC000799116684 1131070567 /nfs/dbraw/zinc/07/05/67/1131070567.db2.gz OEVBKWNQKJLSPQ-ZDUSSCGKSA-N 0 1 289.810 3.940 20 0 CHADMN CN(Cc1cc(O)cc(F)c1)Cc1cccc2cccnc21 ZINC001237278766 1131077767 /nfs/dbraw/zinc/07/77/67/1131077767.db2.gz KRDRFTPWOVTEJP-UHFFFAOYSA-N 0 1 296.345 3.712 20 0 CHADMN C[C@@]1(F)CCCN(Cc2ccncc2C(F)(F)F)CC1 ZINC001237285856 1131078392 /nfs/dbraw/zinc/07/83/92/1131078392.db2.gz RVKKNEHKVUKGMO-CYBMUJFWSA-N 0 1 290.304 3.815 20 0 CHADMN Cc1cc(Br)c(CN2CCCC2(C)C)cc1O ZINC001237297923 1131078464 /nfs/dbraw/zinc/07/84/64/1131078464.db2.gz HBHXBVNNFFLFCW-UHFFFAOYSA-N 0 1 298.224 3.838 20 0 CHADMN Cc1cc(Br)c(CN2CCCC[C@@H]2C)cc1O ZINC001237294949 1131079173 /nfs/dbraw/zinc/07/91/73/1131079173.db2.gz OHDTVCUVGGPMTA-NSHDSACASA-N 0 1 298.224 3.838 20 0 CHADMN Cc1cc(Br)c(CN2CCCCCC2)cc1O ZINC001237299084 1131079424 /nfs/dbraw/zinc/07/94/24/1131079424.db2.gz RZRFKRGUURDVDR-UHFFFAOYSA-N 0 1 298.224 3.839 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2ccncc2C(F)(F)F)C1 ZINC001237294698 1131079473 /nfs/dbraw/zinc/07/94/73/1131079473.db2.gz LZWBAROGDFEUNG-QWRGUYRKSA-N 0 1 272.314 3.578 20 0 CHADMN BrC1=CCCN(C[C@H]2CCc3ccccc32)C1 ZINC000799326430 1131080075 /nfs/dbraw/zinc/08/00/75/1131080075.db2.gz PERPDAFCFJPPBT-CYBMUJFWSA-N 0 1 292.220 3.701 20 0 CHADMN CCc1cccc(C)c1CN1CCO[C@H](c2ccncc2)C1 ZINC001237326105 1131082381 /nfs/dbraw/zinc/08/23/81/1131082381.db2.gz AKOJEVLZDALTRT-IBGZPJMESA-N 0 1 296.414 3.526 20 0 CHADMN Cc1cc(F)cc(C)c1CN1CCOC2(CCCCC2)C1 ZINC001237324391 1131083920 /nfs/dbraw/zinc/08/39/20/1131083920.db2.gz DEKUQNIIJBJLSK-UHFFFAOYSA-N 0 1 291.410 3.978 20 0 CHADMN CC(C)CCCCCC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000816407749 1131086159 /nfs/dbraw/zinc/08/61/59/1131086159.db2.gz OGYMSCLFTSANBX-UHFFFAOYSA-N 0 1 295.427 3.752 20 0 CHADMN CC(C)CCCCCC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000816407749 1131086164 /nfs/dbraw/zinc/08/61/64/1131086164.db2.gz OGYMSCLFTSANBX-UHFFFAOYSA-N 0 1 295.427 3.752 20 0 CHADMN CCc1cccc(C)c1C[N@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001237335981 1131087665 /nfs/dbraw/zinc/08/76/65/1131087665.db2.gz RSPXIZTXLQUDBH-SJLPKXTDSA-N 0 1 285.431 3.891 20 0 CHADMN CCc1cccc(C)c1C[N@H+]1CCC[C@H]1c1ncccn1 ZINC001237334447 1131087702 /nfs/dbraw/zinc/08/77/02/1131087702.db2.gz SDXZVXCXJIUJID-KRWDZBQOSA-N 0 1 281.403 3.685 20 0 CHADMN CCc1cccc(C)c1CN1CCC[C@H]1c1ncccn1 ZINC001237334447 1131087708 /nfs/dbraw/zinc/08/77/08/1131087708.db2.gz SDXZVXCXJIUJID-KRWDZBQOSA-N 0 1 281.403 3.685 20 0 CHADMN CC[C@H]1CCCCN1Cc1cnccc1Br ZINC001237386504 1131093665 /nfs/dbraw/zinc/09/36/65/1131093665.db2.gz CUESQWIZRTVKBK-LBPRGKRZSA-N 0 1 283.213 3.609 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1cnccc1Br ZINC001237388417 1131094644 /nfs/dbraw/zinc/09/46/44/1131094644.db2.gz PESNAPGHKVGQCD-QWRGUYRKSA-N 0 1 283.213 3.607 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1Cc1cnn(C)c1Cl ZINC000816486825 1131097824 /nfs/dbraw/zinc/09/78/24/1131097824.db2.gz STVODDNMUWPFSB-OAHLLOKOSA-N 0 1 289.810 3.719 20 0 CHADMN C[N@@H+](Cc1c(Cl)[nH]c2cnccc21)Cc1ccccc1 ZINC001237455368 1131099573 /nfs/dbraw/zinc/09/95/73/1131099573.db2.gz NIIDLWPZUIFSTO-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CN(Cc1c(Cl)[nH]c2cnccc21)Cc1ccccc1 ZINC001237455368 1131099578 /nfs/dbraw/zinc/09/95/78/1131099578.db2.gz NIIDLWPZUIFSTO-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CC(C)c1cccc(CN2CCc3cccnc3C2)c1 ZINC001237458428 1131101316 /nfs/dbraw/zinc/10/13/16/1131101316.db2.gz ARJLRMBWKSGGPG-UHFFFAOYSA-N 0 1 266.388 3.763 20 0 CHADMN COc1c(C)cccc1CN1CCc2cc(C)ccc2C1 ZINC001237505496 1131105646 /nfs/dbraw/zinc/10/56/46/1131105646.db2.gz GOCUFZQTTSMYDX-UHFFFAOYSA-N 0 1 281.399 3.870 20 0 CHADMN BrC1=CCCN(C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000799737141 1131106956 /nfs/dbraw/zinc/10/69/56/1131106956.db2.gz WBPYVGCALYUNJW-UKRRQHHQSA-N 0 1 292.220 3.775 20 0 CHADMN Fc1cccc2c(CN3C[C@@H]4C[C@@H]4[C@@H](F)C3)cccc12 ZINC001237515380 1131107095 /nfs/dbraw/zinc/10/70/95/1131107095.db2.gz UTLIYUBIHYUJJN-NUTKFTJISA-N 0 1 273.326 3.769 20 0 CHADMN C[C@@H]1CN(Cc2cccc3c(F)cccc23)C[C@@H]1F ZINC001237520072 1131109887 /nfs/dbraw/zinc/10/98/87/1131109887.db2.gz BJTOVASANYFOCK-BZNIZROVSA-N 0 1 261.315 3.769 20 0 CHADMN CC(C)[C@H]1COCCN1Cc1cccc2c(F)cccc12 ZINC001237519320 1131109931 /nfs/dbraw/zinc/10/99/31/1131109931.db2.gz RFXFMPQRVSRSGE-GOSISDBHSA-N 0 1 287.378 3.836 20 0 CHADMN Cc1cc(CN2CC(C)(C)[C@@H]2C(C)C)cnc1Cl ZINC000816624940 1131113140 /nfs/dbraw/zinc/11/31/40/1131113140.db2.gz MFMLPARSEGYPKR-ZDUSSCGKSA-N 0 1 266.816 3.910 20 0 CHADMN Cc1ncc(CN2CCC[C@H](C)CC2)cc1Br ZINC001237556564 1131114877 /nfs/dbraw/zinc/11/48/77/1131114877.db2.gz UGINCHARGQLYMO-NSHDSACASA-N 0 1 297.240 3.775 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2)C2(CO)CCC2)c(C)o1 ZINC000816631266 1131114927 /nfs/dbraw/zinc/11/49/27/1131114927.db2.gz LSBOZTXOFJJIFF-GOSISDBHSA-N 0 1 299.414 3.890 20 0 CHADMN CCCN(CCOC)Cc1cc(C)cc(C)c1Cl ZINC001237698386 1131128678 /nfs/dbraw/zinc/12/86/78/1131128678.db2.gz NZVQCFYXZITMCG-UHFFFAOYSA-N 0 1 269.816 3.815 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Oc3ccccc3)o2)[C@H]1C ZINC000816647764 1131120542 /nfs/dbraw/zinc/12/05/42/1131120542.db2.gz XZQBLRUHDMFORI-OLZOCXBDSA-N 0 1 257.333 3.912 20 0 CHADMN Cc1cc(CN2C[C@@H](C)[C@@H]2C)c(OC(F)F)cc1C ZINC000816647801 1131120666 /nfs/dbraw/zinc/12/06/66/1131120666.db2.gz YKDAHFOWTFYTJY-NEPJUHHUSA-N 0 1 269.335 3.745 20 0 CHADMN Oc1cc(F)c(-c2ccc3cncnc3c2)cc1Cl ZINC001245670257 1131121813 /nfs/dbraw/zinc/12/18/13/1131121813.db2.gz TWTIXOCTRJAFIQ-UHFFFAOYSA-N 0 1 274.682 3.795 20 0 CHADMN C[C@@H](CSC(C)(C)C)Nc1cc2c(cn1)CCC2 ZINC000816660976 1131121906 /nfs/dbraw/zinc/12/19/06/1131121906.db2.gz XAWDVGZRWCXZML-NSHDSACASA-N 0 1 264.438 3.902 20 0 CHADMN Cc1coc(CN2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC001237649527 1131123401 /nfs/dbraw/zinc/12/34/01/1131123401.db2.gz NREIVILUEQUBFB-ZDUSSCGKSA-N 0 1 276.767 3.626 20 0 CHADMN Cc1coc(CN2CCC[C@@H](c3ccccc3)CC2)n1 ZINC001237649031 1131123909 /nfs/dbraw/zinc/12/39/09/1131123909.db2.gz LRUNDAAXACRYHE-MRXNPFEDSA-N 0 1 270.376 3.753 20 0 CHADMN CC[N@@H+](CCn1cccn1)Cc1cc(C)cc(C)c1Cl ZINC001237701115 1131129319 /nfs/dbraw/zinc/12/93/19/1131129319.db2.gz ICAPYBGASIZJPT-UHFFFAOYSA-N 0 1 291.826 3.675 20 0 CHADMN CCN(CCn1cccn1)Cc1cc(C)cc(C)c1Cl ZINC001237701115 1131129321 /nfs/dbraw/zinc/12/93/21/1131129321.db2.gz ICAPYBGASIZJPT-UHFFFAOYSA-N 0 1 291.826 3.675 20 0 CHADMN CCSCCSc1nc(-c2ccc(CC)cc2)n[nH]1 ZINC001116120659 1131129549 /nfs/dbraw/zinc/12/95/49/1131129549.db2.gz XNSYBWUCEVYQJG-UHFFFAOYSA-N 0 1 293.461 3.879 20 0 CHADMN Cc1cc(C)c(Cl)c(CN2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001237699591 1131129774 /nfs/dbraw/zinc/12/97/74/1131129774.db2.gz XQSBDOXXRXAMCA-HIFRSBDPSA-N 0 1 279.811 3.568 20 0 CHADMN Cc1cc(CN2CCC[C@H](O)CC2)c(Cl)cc1Cl ZINC001237703106 1131130536 /nfs/dbraw/zinc/13/05/36/1131130536.db2.gz XRJWUEZKRURSET-LBPRGKRZSA-N 0 1 288.218 3.649 20 0 CHADMN COc1ccc(C)c(C[N@H+]2Cc3cccc(C)c3C2)c1 ZINC001237708240 1131131125 /nfs/dbraw/zinc/13/11/25/1131131125.db2.gz NJORVBZNGJXGFX-UHFFFAOYSA-N 0 1 267.372 3.828 20 0 CHADMN COc1ccc(C)c(CN2Cc3cccc(C)c3C2)c1 ZINC001237708240 1131131129 /nfs/dbraw/zinc/13/11/29/1131131129.db2.gz NJORVBZNGJXGFX-UHFFFAOYSA-N 0 1 267.372 3.828 20 0 CHADMN COc1ccc(C)c(CN2CCc3cc(OC)ccc3C2)c1 ZINC001237710610 1131132301 /nfs/dbraw/zinc/13/23/01/1131132301.db2.gz VYYNGSOIOCNBMM-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN COc1ccc(Nc2cccc3[nH]ncc32)c(C)c1C ZINC001159574957 1131134596 /nfs/dbraw/zinc/13/45/96/1131134596.db2.gz RAKYJZLKOXDTBI-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1c(Cl)cccc1CN1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237733727 1131134849 /nfs/dbraw/zinc/13/48/49/1131134849.db2.gz GMAFBFBGUBHJAK-XJKSGUPXSA-N 0 1 279.811 3.649 20 0 CHADMN CCc1cc(CN2CCC[C@H](OC)C2)ccc1Cl ZINC001237737975 1131135491 /nfs/dbraw/zinc/13/54/91/1131135491.db2.gz FIJYTKOADYMRTO-AWEZNQCLSA-N 0 1 267.800 3.513 20 0 CHADMN CCCCC[C@H](C(=O)Nc1nc(C(C)C)n[nH]1)C(C)C ZINC001116240979 1131135466 /nfs/dbraw/zinc/13/54/66/1131135466.db2.gz RFXOGCLFIRPNNL-LBPRGKRZSA-N 0 1 280.416 3.719 20 0 CHADMN CCCCC[C@H](C(=O)Nc1n[nH]c(C(C)C)n1)C(C)C ZINC001116240979 1131135470 /nfs/dbraw/zinc/13/54/70/1131135470.db2.gz RFXOGCLFIRPNNL-LBPRGKRZSA-N 0 1 280.416 3.719 20 0 CHADMN Cc1ncccc1CN(C)Cc1cccc(Cl)c1C ZINC001237734652 1131135537 /nfs/dbraw/zinc/13/55/37/1131135537.db2.gz GNRKCQZEHWRONE-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1ccc2nc(NC(=O)C=Cc3cccs3)[nH]c2c1 ZINC000817016800 1131136174 /nfs/dbraw/zinc/13/61/74/1131136174.db2.gz MABYHSJFWLZIBQ-ALCCZGGFSA-N 0 1 283.356 3.585 20 0 CHADMN C/C(=C\C(=O)Nc1nc2ccc(C)cc2[nH]1)C(C)(C)C ZINC000817017616 1131136973 /nfs/dbraw/zinc/13/69/73/1131136973.db2.gz VKUOIFOEDMWNKR-PKNBQFBNSA-N 0 1 271.364 3.802 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1cccc2c1OCC2 ZINC001237748482 1131137844 /nfs/dbraw/zinc/13/78/44/1131137844.db2.gz IBXZNZLBJZOLGT-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN COc1ccc(CN(C)C2CCCCC2)c(Cl)n1 ZINC001237793466 1131140597 /nfs/dbraw/zinc/14/05/97/1131140597.db2.gz CEFCBJQGQKZLFQ-UHFFFAOYSA-N 0 1 268.788 3.508 20 0 CHADMN [O-]c1c(F)cc(Nc2ccc3c(c2)CC[NH2+]C3)cc1Cl ZINC001159603262 1131141021 /nfs/dbraw/zinc/14/10/21/1131141021.db2.gz FHZLLCBIOCTBSR-UHFFFAOYSA-N 0 1 292.741 3.574 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2c2cccs2)ccc1F ZINC001237815965 1131142535 /nfs/dbraw/zinc/14/25/35/1131142535.db2.gz DWTCXTLSXYSDMZ-CQSZACIVSA-N 0 1 276.380 3.928 20 0 CHADMN Cc1nc(C[N@H+]2CCCC3(CCCC3)C2)ccc1F ZINC001237821078 1131144356 /nfs/dbraw/zinc/14/43/56/1131144356.db2.gz TZIVLXWIJPSQNR-UHFFFAOYSA-N 0 1 262.372 3.685 20 0 CHADMN Cc1nc(CN2CCC(c3cccnc3)CC2)c(C)s1 ZINC001116441328 1131145514 /nfs/dbraw/zinc/14/55/14/1131145514.db2.gz DPALZGIQKSIYCJ-UHFFFAOYSA-N 0 1 287.432 3.535 20 0 CHADMN CCOc1ccc(C[N@H+]2CC(C)(C)C2(C)C)cc1OC ZINC001116444747 1131146640 /nfs/dbraw/zinc/14/66/40/1131146640.db2.gz FUIHFABXIILTJZ-UHFFFAOYSA-N 0 1 277.408 3.714 20 0 CHADMN CCOc1ccc(CN2CC(C)(C)C2(C)C)cc1OC ZINC001116444747 1131146644 /nfs/dbraw/zinc/14/66/44/1131146644.db2.gz FUIHFABXIILTJZ-UHFFFAOYSA-N 0 1 277.408 3.714 20 0 CHADMN Cc1cc(CN2CCc3ccc(C(C)(C)C)cc3C2)n[nH]1 ZINC001116522245 1131152314 /nfs/dbraw/zinc/15/23/14/1131152314.db2.gz WRSAGDURYNQTOX-UHFFFAOYSA-N 0 1 283.419 3.574 20 0 CHADMN CCCOCc1ccccc1CNCc1ncccc1C ZINC001116528884 1131152575 /nfs/dbraw/zinc/15/25/75/1131152575.db2.gz FFYLLRBVSLGQOG-UHFFFAOYSA-N 0 1 284.403 3.606 20 0 CHADMN CCN(C(=O)c1ccc2cncn2c1C)[C@@H]1CCCC[C@H]1C ZINC001116538396 1131153291 /nfs/dbraw/zinc/15/32/91/1131153291.db2.gz LYOHIRNIJPCGKL-CXAGYDPISA-N 0 1 299.418 3.684 20 0 CHADMN Cc1c(C(=O)N2CCCC[C@H]2CC(C)C)ccc2cncn21 ZINC001116538663 1131153815 /nfs/dbraw/zinc/15/38/15/1131153815.db2.gz WFOINWUMHQWNTO-HNNXBMFYSA-N 0 1 299.418 3.684 20 0 CHADMN Fc1cccc(-c2nc(C[N@H+]3CCC4(CC4)C3)cs2)c1 ZINC001237969128 1131156546 /nfs/dbraw/zinc/15/65/46/1131156546.db2.gz QZHCNKHHSXAMNI-UHFFFAOYSA-N 0 1 288.391 3.935 20 0 CHADMN Fc1cccc(-c2nc(CN3CCC4(CC4)C3)cs2)c1 ZINC001237969128 1131156550 /nfs/dbraw/zinc/15/65/50/1131156550.db2.gz QZHCNKHHSXAMNI-UHFFFAOYSA-N 0 1 288.391 3.935 20 0 CHADMN CC[C@@H](C)N(C(=O)c1ccc2cncn2c1C)[C@@H](C)CC ZINC001116609100 1131157221 /nfs/dbraw/zinc/15/72/21/1131157221.db2.gz FPHGDSOBOFMTGQ-BETUJISGSA-N 0 1 287.407 3.682 20 0 CHADMN C[N@@H+](Cc1cccc(F)c1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237984363 1131157514 /nfs/dbraw/zinc/15/75/14/1131157514.db2.gz OGNGDQOVMZRJSE-UHFFFAOYSA-N 0 1 297.732 3.956 20 0 CHADMN FC1(F)CCCN(Cc2[nH]nc3cc(Cl)ccc32)CC1 ZINC001237992233 1131157677 /nfs/dbraw/zinc/15/76/77/1131157677.db2.gz FGWGORLTXXVSGN-UHFFFAOYSA-N 0 1 299.752 3.838 20 0 CHADMN CC1(F)CCN(Cc2[nH]nc3cc(Cl)ccc32)CC1 ZINC001237991937 1131157821 /nfs/dbraw/zinc/15/78/21/1131157821.db2.gz CXYHDWLSHVYTOL-UHFFFAOYSA-N 0 1 281.762 3.540 20 0 CHADMN C[C@@H]1CCN(Cc2cc(F)c(O)c(Cl)c2)CC1(F)F ZINC001237984980 1131158268 /nfs/dbraw/zinc/15/82/68/1131158268.db2.gz TWGHCLFIUCNJCO-MRVPVSSYSA-N 0 1 293.716 3.662 20 0 CHADMN CN(Cc1cc(F)c(O)c(Cl)c1)Cc1ccccc1F ZINC001237987678 1131158458 /nfs/dbraw/zinc/15/84/58/1131158458.db2.gz BSFVZAXISINSGI-UHFFFAOYSA-N 0 1 297.732 3.956 20 0 CHADMN C[C@@H]1c2cccn2CCN1Cc1cc(F)c(O)c(Cl)c1 ZINC001237994230 1131160514 /nfs/dbraw/zinc/16/05/14/1131160514.db2.gz DCJTZAUFIOVVHH-SNVBAGLBSA-N 0 1 294.757 3.563 20 0 CHADMN Cc1ccc(Cl)c(CN2CCCC[C@@](C)(O)C2)c1F ZINC001138030317 1131163421 /nfs/dbraw/zinc/16/34/21/1131163421.db2.gz AFJFPOFFTPVCLF-OAHLLOKOSA-N 0 1 285.790 3.524 20 0 CHADMN COc1cc(Nc2ccc3c[nH]nc3c2)cc(F)c1F ZINC001159661669 1131170184 /nfs/dbraw/zinc/17/01/84/1131170184.db2.gz DSPBCIDSTDYJDC-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN C[C@@H]1CCCC[N@@H+](Cc2cc(Cl)c([O-])cc2F)C1 ZINC001238143941 1131174356 /nfs/dbraw/zinc/17/43/56/1131174356.db2.gz RLBMNEYUNQKHOS-SNVBAGLBSA-N 0 1 271.763 3.807 20 0 CHADMN C[N@H+](Cc1cc(Cl)c([O-])cc1F)CC1CCCC1 ZINC001238150412 1131174387 /nfs/dbraw/zinc/17/43/87/1131174387.db2.gz TXJRZCPKTONZIJ-UHFFFAOYSA-N 0 1 271.763 3.807 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1Cl ZINC001238150029 1131175232 /nfs/dbraw/zinc/17/52/32/1131175232.db2.gz PPYGSVYCBZBDCN-HZMBPMFUSA-N 0 1 283.774 3.949 20 0 CHADMN CC[C@H]1CCC[N@H+]1Cc1cc(Cl)c([O-])cc1F ZINC001238151497 1131176052 /nfs/dbraw/zinc/17/60/52/1131176052.db2.gz FZWWOPCJCNUEGZ-JTQLQIEISA-N 0 1 257.736 3.559 20 0 CHADMN CCN(Cc1ccc(OC)cc1)Cc1cncc(C2CC2)c1 ZINC001238193384 1131179667 /nfs/dbraw/zinc/17/96/67/1131179667.db2.gz ILAGBNIGVJGJHV-UHFFFAOYSA-N 0 1 296.414 3.990 20 0 CHADMN c1cc(-c2cccc(CN3Cc4ccccc4C3)c2)n[nH]1 ZINC001238197253 1131179733 /nfs/dbraw/zinc/17/97/33/1131179733.db2.gz NWKAWAMBFHVAOE-UHFFFAOYSA-N 0 1 275.355 3.593 20 0 CHADMN CC(C)c1cc(CN2CC[C@@H](C)[C@H](O)C2)ccc1Cl ZINC001238221274 1131183235 /nfs/dbraw/zinc/18/32/35/1131183235.db2.gz ZJHKNTGCRDOMEV-MLGOLLRUSA-N 0 1 281.827 3.666 20 0 CHADMN Cc1cc(CN2CCC(=Cc3cccc(F)c3)CC2)n[nH]1 ZINC001117640308 1131189908 /nfs/dbraw/zinc/18/99/08/1131189908.db2.gz WSNYMIXCASCFOR-UHFFFAOYSA-N 0 1 285.366 3.537 20 0 CHADMN CCO[C@@H]1CCCN(Cc2cccc(F)c2OC(C)C)C1 ZINC001238318378 1131190217 /nfs/dbraw/zinc/19/02/17/1131190217.db2.gz DXSMZHAKNJOKOR-OAHLLOKOSA-N 0 1 295.398 3.614 20 0 CHADMN Cc1cc(CN2CC3(C2)CCCCC3)cnc1OC(C)C ZINC001238385903 1131194917 /nfs/dbraw/zinc/19/49/17/1131194917.db2.gz MZKHLYVUOAYQJT-UHFFFAOYSA-N 0 1 288.435 3.943 20 0 CHADMN CCOc1ccc(CN2CCCC[C@H]2COC)c(Cl)c1 ZINC001238396301 1131195807 /nfs/dbraw/zinc/19/58/07/1131195807.db2.gz VJPGBIZUUVFUSN-AWEZNQCLSA-N 0 1 297.826 3.740 20 0 CHADMN CCOc1ccc(CN2CCCOC(C)(C)C2)c(Cl)c1 ZINC001238402513 1131196008 /nfs/dbraw/zinc/19/60/08/1131196008.db2.gz JFTILAJAIRPQRG-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1ncc(C)cc1C ZINC001238443500 1131201207 /nfs/dbraw/zinc/20/12/07/1131201207.db2.gz ZDBPWIJPIQYULM-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN CO[C@H]1CCN(Cc2ccc(OC(C)C)cc2F)[C@H](C)C1 ZINC001238448232 1131202221 /nfs/dbraw/zinc/20/22/21/1131202221.db2.gz OEZOJPGGYDIQDJ-HIFRSBDPSA-N 0 1 295.398 3.612 20 0 CHADMN CCOC1CCN(Cc2ccc(F)c(OC(C)C)c2)CC1 ZINC001238460468 1131203711 /nfs/dbraw/zinc/20/37/11/1131203711.db2.gz MQOGNDXOFDOGRY-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN CC(C)Oc1cncc(CN2CCC(F)(F)C(C)(C)C2)c1 ZINC001238461732 1131203820 /nfs/dbraw/zinc/20/38/20/1131203820.db2.gz JLCCFUCJUSCRKQ-UHFFFAOYSA-N 0 1 298.377 3.736 20 0 CHADMN CC(C)Oc1cc(CN2CC[C@]3(CC3(F)F)C2)ccc1F ZINC001238460083 1131204272 /nfs/dbraw/zinc/20/42/72/1131204272.db2.gz ILBMIJKSYSSGNY-HNNXBMFYSA-N 0 1 299.336 3.844 20 0 CHADMN CC(C)Oc1cncc(CN2CC[C@@H](C)C(F)(F)CC2)c1 ZINC001238462556 1131204310 /nfs/dbraw/zinc/20/43/10/1131204310.db2.gz PGMYTLYYSIJXSS-CYBMUJFWSA-N 0 1 298.377 3.736 20 0 CHADMN CC(C)Oc1cncc(CN2CCCc3ccccc3C2)c1 ZINC001238466979 1131206216 /nfs/dbraw/zinc/20/62/16/1131206216.db2.gz FXOYJYJRDFMKPU-UHFFFAOYSA-N 0 1 296.414 3.817 20 0 CHADMN CCCO[C@@H]1CC[N@@H+](Cc2ccc(F)c(C3CC3)c2)C1 ZINC001238503231 1131210207 /nfs/dbraw/zinc/21/02/07/1131210207.db2.gz YWPDBRGTQHRSIR-OAHLLOKOSA-N 0 1 277.383 3.704 20 0 CHADMN OCC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(C2CC2)c1 ZINC001238503385 1131210676 /nfs/dbraw/zinc/21/06/76/1131210676.db2.gz LZQIIIBBCGLXAR-UHFFFAOYSA-N 0 1 299.389 3.698 20 0 CHADMN Cc1c(Cl)ccc(CN2CCC[C@@](C)(CO)CC2)c1F ZINC001238511516 1131210864 /nfs/dbraw/zinc/21/08/64/1131210864.db2.gz GDZMATJTMAGFSP-MRXNPFEDSA-N 0 1 299.817 3.772 20 0 CHADMN FC1(F)CC2(CN([C@@H]3CCc4cccc(Cl)c4C3)C2)C1 ZINC001170915516 1131221220 /nfs/dbraw/zinc/22/12/20/1131221220.db2.gz AXQOMXFEAZWGDT-GFCCVEGCSA-N 0 1 297.776 3.928 20 0 CHADMN Cc1cnc(-c2ccccc2)c(CN2CCOC(C)(C)C2)c1 ZINC001238618718 1131222585 /nfs/dbraw/zinc/22/25/85/1131222585.db2.gz LEIMUOPRSBYTDH-UHFFFAOYSA-N 0 1 296.414 3.668 20 0 CHADMN Cc1cc(CN2CCC(OC(C)C)CC2)cnc1C1CC1 ZINC001238619189 1131223795 /nfs/dbraw/zinc/22/37/95/1131223795.db2.gz YDHKJHFIBISHHW-UHFFFAOYSA-N 0 1 288.435 3.657 20 0 CHADMN Cc1cc(CN2CCC[C@@H](C(F)F)C2)cnc1C1CC1 ZINC001238628147 1131224187 /nfs/dbraw/zinc/22/41/87/1131224187.db2.gz NGUAIRSITIEXGA-CQSZACIVSA-N 0 1 280.362 3.745 20 0 CHADMN Cc1cc(OC(C)C)cc(C)c1CN1C[C@@H](C)O[C@H](C)C1 ZINC001238666105 1131227937 /nfs/dbraw/zinc/22/79/37/1131227937.db2.gz GZYRGYXDDJIJQC-HZPDHXFCSA-N 0 1 291.435 3.700 20 0 CHADMN CCC[C@H](CC)C(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000823150107 1131414535 /nfs/dbraw/zinc/41/45/35/1131414535.db2.gz UAWFAGKISBEMGI-NSHDSACASA-N 0 1 287.363 3.547 20 0 CHADMN Fc1c(CN(C2CC2)C2CCCC2)ccnc1Cl ZINC000823399725 1131425285 /nfs/dbraw/zinc/42/52/85/1131425285.db2.gz PKFTVGKTRVZFEP-UHFFFAOYSA-N 0 1 268.763 3.781 20 0 CHADMN CN(Cc1cc(F)cc(F)c1F)C[C@@H]1CC1(C)C ZINC001137873619 1131427958 /nfs/dbraw/zinc/42/79/58/1131427958.db2.gz MQGCAMJPPYATEK-JTQLQIEISA-N 0 1 257.299 3.582 20 0 CHADMN Fc1cc(F)c(F)c(CN2CCCCCCC2)c1 ZINC001137873530 1131428158 /nfs/dbraw/zinc/42/81/58/1131428158.db2.gz IWIPXCAHCYEBPS-UHFFFAOYSA-N 0 1 257.299 3.870 20 0 CHADMN Cc1ccc(C[C@H](C)N(C)Cc2cc(F)ncc2F)cc1 ZINC000823459809 1131428279 /nfs/dbraw/zinc/42/82/79/1131428279.db2.gz YNQQVEAIFHSQLH-ZDUSSCGKSA-N 0 1 290.357 3.731 20 0 CHADMN CN(Cc1cc(F)c(F)cc1F)CC1CC(F)(F)C1 ZINC001137892088 1131429756 /nfs/dbraw/zinc/42/97/56/1131429756.db2.gz HHBQJBZDBLZMQL-UHFFFAOYSA-N 0 1 279.252 3.581 20 0 CHADMN Cc1cc(CNc2ccc(CN(C)C)c(F)c2)cs1 ZINC000823554441 1131432468 /nfs/dbraw/zinc/43/24/68/1131432468.db2.gz KQBPMEKMSNCTBE-UHFFFAOYSA-N 0 1 278.396 3.869 20 0 CHADMN CC(C)Oc1ccnc(NCCOC2CCCCC2)c1 ZINC001160277565 1131436926 /nfs/dbraw/zinc/43/69/26/1131436926.db2.gz FSOWWOIWHSCQDV-UHFFFAOYSA-N 0 1 278.396 3.630 20 0 CHADMN C[C@@H]1CCCCCN1Cc1ccc(F)c(F)c1F ZINC001137938362 1131438949 /nfs/dbraw/zinc/43/89/49/1131438949.db2.gz FFLWVSAYCRVBPZ-SNVBAGLBSA-N 0 1 257.299 3.868 20 0 CHADMN C[C@H]1CCCN(Cc2ccc(F)c(F)c2F)CC1 ZINC001137935815 1131439179 /nfs/dbraw/zinc/43/91/79/1131439179.db2.gz KYWCVDOZEBWDOA-JTQLQIEISA-N 0 1 257.299 3.726 20 0 CHADMN CN(CCc1ccccc1F)Cc1ccc(F)c(F)c1F ZINC001137941339 1131439936 /nfs/dbraw/zinc/43/99/36/1131439936.db2.gz LUCMCGMTZSOAPB-UHFFFAOYSA-N 0 1 297.295 3.918 20 0 CHADMN Cc1nc([C@@H](C)NCCNc2ccccc2)c(C)s1 ZINC000772877673 1131442847 /nfs/dbraw/zinc/44/28/47/1131442847.db2.gz WGHXNMATPYHCQH-LLVKDONJSA-N 0 1 275.421 3.523 20 0 CHADMN Cc1nnc(SC(c2ccccc2)c2ccccc2)[nH]1 ZINC000031794015 1131443333 /nfs/dbraw/zinc/44/33/33/1131443333.db2.gz VEEXYCDCJGEUEP-UHFFFAOYSA-N 0 1 281.384 3.995 20 0 CHADMN Cc1n[nH]c(SC(c2ccccc2)c2ccccc2)n1 ZINC000031794015 1131443338 /nfs/dbraw/zinc/44/33/38/1131443338.db2.gz VEEXYCDCJGEUEP-UHFFFAOYSA-N 0 1 281.384 3.995 20 0 CHADMN CCOCC1CCN(Cc2ccc(C)c(F)c2F)CC1 ZINC001137969877 1131444521 /nfs/dbraw/zinc/44/45/21/1131444521.db2.gz MKQHZICDGYKJJH-UHFFFAOYSA-N 0 1 283.362 3.522 20 0 CHADMN COc1ccc(F)c(CN2CCC3(CC[C@@H](F)C3)CC2)c1 ZINC001137997590 1131447954 /nfs/dbraw/zinc/44/79/54/1131447954.db2.gz RJKACZZILYXQSV-CQSZACIVSA-N 0 1 295.373 3.939 20 0 CHADMN Cc1cnccc1CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000824012441 1131450438 /nfs/dbraw/zinc/45/04/38/1131450438.db2.gz ZZTSHJULUGEMCJ-KRWDZBQOSA-N 0 1 294.398 3.926 20 0 CHADMN Cc1ccc(CN(C)Cc2ccno2)c2ccccc12 ZINC001138018297 1131451690 /nfs/dbraw/zinc/45/16/90/1131451690.db2.gz RXYPNRIRSFURDI-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN F[C@@H]1CCCN([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171042966 1131451792 /nfs/dbraw/zinc/45/17/92/1131451792.db2.gz BYXWWYHPBWNFSV-CHWSQXEVSA-N 0 1 267.775 3.631 20 0 CHADMN Cc1ccc(F)c(CN2CCC[C@@]3(CCOC3)C2)c1Cl ZINC001138024653 1131453555 /nfs/dbraw/zinc/45/35/55/1131453555.db2.gz HRVXWZLBBGTYSS-MRXNPFEDSA-N 0 1 297.801 3.790 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC[C@H]2C(C)(C)O)c1F ZINC001138035173 1131456264 /nfs/dbraw/zinc/45/62/64/1131456264.db2.gz KCRRBBYOGUZBQT-ZDUSSCGKSA-N 0 1 285.790 3.523 20 0 CHADMN CC(C)c1cccc(CNCc2cc(C3CC3)nn2C)c1 ZINC000824196802 1131458324 /nfs/dbraw/zinc/45/83/24/1131458324.db2.gz XOALCUDSYGCHLR-UHFFFAOYSA-N 0 1 283.419 3.711 20 0 CHADMN FC1(F)CCN(Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000824320117 1131462536 /nfs/dbraw/zinc/46/25/36/1131462536.db2.gz DJJKJKFPSYQHDE-UHFFFAOYSA-N 0 1 286.709 3.712 20 0 CHADMN O=C1CCN(Cc2ccc3ncccc3c2)[C@H]2CCCC[C@H]12 ZINC001138103508 1131464455 /nfs/dbraw/zinc/46/44/55/1131464455.db2.gz DXQYXQQORREAFP-WMZOPIPTSA-N 0 1 294.398 3.568 20 0 CHADMN CCOc1cccc(CN(Cc2ccco2)C2CC2)c1 ZINC001138102440 1131464701 /nfs/dbraw/zinc/46/47/01/1131464701.db2.gz MDCJYMLFWHLFCV-UHFFFAOYSA-N 0 1 271.360 3.843 20 0 CHADMN CCC(F)(F)C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000830692161 1131464783 /nfs/dbraw/zinc/46/47/83/1131464783.db2.gz WWMICUUNIJROIM-UHFFFAOYSA-N 0 1 296.361 3.642 20 0 CHADMN Fc1c(CN(C2CCC2)C2CCC2)ccnc1Cl ZINC000824428339 1131468421 /nfs/dbraw/zinc/46/84/21/1131468421.db2.gz QUGPVVVBGLLXDM-UHFFFAOYSA-N 0 1 268.763 3.781 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H](COCC3CC3)C2)c1F ZINC001138119906 1131468486 /nfs/dbraw/zinc/46/84/86/1131468486.db2.gz UUHQQZWWFOJHPY-CQSZACIVSA-N 0 1 295.373 3.522 20 0 CHADMN CN(CCc1ccccc1Cl)Cc1cn2ccccc2n1 ZINC001136880843 1131471598 /nfs/dbraw/zinc/47/15/98/1131471598.db2.gz JROWXOQQQZGSDY-UHFFFAOYSA-N 0 1 299.805 3.662 20 0 CHADMN Clc1cccc2c1CC[C@@H](N1CCc3cccnc3C1)C2 ZINC001171057039 1131471715 /nfs/dbraw/zinc/47/17/15/1131471715.db2.gz SKFUBABVVCUJNH-OAHLLOKOSA-N 0 1 298.817 3.651 20 0 CHADMN Cc1ccn2c(CN3C4CCCC3CCC4)cnc2c1 ZINC001136892183 1131472381 /nfs/dbraw/zinc/47/23/81/1131472381.db2.gz AXNZFFMZKZNEBK-UHFFFAOYSA-N 0 1 269.392 3.550 20 0 CHADMN CN(Cc1cn(C2CCC2)nn1)C1CCCCCCC1 ZINC000824650898 1131478292 /nfs/dbraw/zinc/47/82/92/1131478292.db2.gz YMQIRIJYWMJJIL-UHFFFAOYSA-N 0 1 276.428 3.548 20 0 CHADMN Clc1cc(Cl)c2c(c1)CC[C@H](NCc1cocn1)C2 ZINC001171063633 1131481824 /nfs/dbraw/zinc/48/18/24/1131481824.db2.gz NGDVNJFVCKLKFD-NSHDSACASA-N 0 1 297.185 3.629 20 0 CHADMN Cc1cccn2c(CN(C)C/C=C/c3ccccc3)cnc12 ZINC001136965542 1131489892 /nfs/dbraw/zinc/48/98/92/1131489892.db2.gz SVWKJUFYSIAYML-YRNVUSSQSA-N 0 1 291.398 3.788 20 0 CHADMN Cc1cc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)cnc1Cl ZINC000824940921 1131490666 /nfs/dbraw/zinc/49/06/66/1131490666.db2.gz FWXIHJRKMSSUTG-CABCVRRESA-N 0 1 276.811 3.664 20 0 CHADMN CCc1cccc2c(CN3C[C@@H]4C[C@@H]4[C@@H](F)C3)c[nH]c21 ZINC001138361087 1131495102 /nfs/dbraw/zinc/49/51/02/1131495102.db2.gz MZAXACWTMNLINW-RCBQFDQVSA-N 0 1 272.367 3.520 20 0 CHADMN CCc1nc(CNC[C@H](C)c2cccc(Cl)c2)co1 ZINC000825062525 1131496689 /nfs/dbraw/zinc/49/66/89/1131496689.db2.gz ZKBFNSKISQNSJU-NSHDSACASA-N 0 1 278.783 3.784 20 0 CHADMN C[N@H+](Cc1ncccc1[O-])C1CCC(C(C)(C)C)CC1 ZINC001138394121 1131498369 /nfs/dbraw/zinc/49/83/69/1131498369.db2.gz FTPTYWLZUXBBBE-UHFFFAOYSA-N 0 1 276.424 3.824 20 0 CHADMN C[N@@H+](Cc1ncccc1[O-])C1CCC(C(C)(C)C)CC1 ZINC001138394121 1131498372 /nfs/dbraw/zinc/49/83/72/1131498372.db2.gz FTPTYWLZUXBBBE-UHFFFAOYSA-N 0 1 276.424 3.824 20 0 CHADMN Cc1c2ccccc2[nH]c1CN(C)Cc1cccc(O)c1 ZINC001138397028 1131498812 /nfs/dbraw/zinc/49/88/12/1131498812.db2.gz JYTONWAZBWRGMB-UHFFFAOYSA-N 0 1 280.371 3.814 20 0 CHADMN C[C@H]1CCCC[C@H]1C[N@@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000825152619 1131499150 /nfs/dbraw/zinc/49/91/50/1131499150.db2.gz ADAUCCGNOILCMJ-STQMWFEESA-N 0 1 296.480 3.629 20 0 CHADMN C[C@H]1CCCC[C@H]1CN(C)Cc1csc(C(C)(C)O)n1 ZINC000825152619 1131499153 /nfs/dbraw/zinc/49/91/53/1131499153.db2.gz ADAUCCGNOILCMJ-STQMWFEESA-N 0 1 296.480 3.629 20 0 CHADMN Cc1ccc(-c2ccccc2NC(=O)[C@@H](C)N(C)C)s1 ZINC000825136898 1131500352 /nfs/dbraw/zinc/50/03/52/1131500352.db2.gz NTXZICWNZJVTSJ-GFCCVEGCSA-N 0 1 288.416 3.612 20 0 CHADMN CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(C)c1 ZINC001138432541 1131504783 /nfs/dbraw/zinc/50/47/83/1131504783.db2.gz PSIOINKUHDMVJD-GASCZTMLSA-N 0 1 295.373 3.871 20 0 CHADMN CCN(Cc1ccc2c(c1)COC2)Cc1ccccc1F ZINC001137028465 1131509267 /nfs/dbraw/zinc/50/92/67/1131509267.db2.gz NOWWAIASZUOUCB-UHFFFAOYSA-N 0 1 285.362 3.878 20 0 CHADMN Cc1c2ccccc2sc1CN(C1CC1)C1COC1 ZINC001138463731 1131509776 /nfs/dbraw/zinc/50/97/76/1131509776.db2.gz MOEMYUNOTHSOBO-UHFFFAOYSA-N 0 1 273.401 3.573 20 0 CHADMN C/C=C(\CC)C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831892697 1131517267 /nfs/dbraw/zinc/51/72/67/1131517267.db2.gz PLUYZGPSMSWRAD-GUVYXZIWSA-N 0 1 289.423 3.595 20 0 CHADMN C/C=C(/CC)C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831892698 1131517323 /nfs/dbraw/zinc/51/73/23/1131517323.db2.gz PLUYZGPSMSWRAD-MECSIWFOSA-N 0 1 289.423 3.595 20 0 CHADMN COc1ccc(F)c(CN2C[C@H](C)C[C@@H](C)C2)c1Cl ZINC001143371325 1131518115 /nfs/dbraw/zinc/51/81/15/1131518115.db2.gz OFWLMKSWCQWAAY-GHMZBOCLSA-N 0 1 285.790 3.966 20 0 CHADMN CC(C)(C)c1noc(CN2CCCCCCCC2)n1 ZINC000831920514 1131521383 /nfs/dbraw/zinc/52/13/83/1131521383.db2.gz LZWIVXTZQUCYEN-UHFFFAOYSA-N 0 1 265.401 3.523 20 0 CHADMN Cc1cnc(CN2CCCCC[C@H]2C)cc1Br ZINC001143660736 1131522490 /nfs/dbraw/zinc/52/24/90/1131522490.db2.gz DPMRFIBQYSGRBU-GFCCVEGCSA-N 0 1 297.240 3.917 20 0 CHADMN Cc1cc(CN(C)Cc2ccc(C)nc2)c(C)s1 ZINC001138569254 1131522774 /nfs/dbraw/zinc/52/27/74/1131522774.db2.gz DLELLDQWWUIMGL-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN c1nn(-c2ccccc2)cc1CN1CC2(C1)CCCCC2 ZINC001138603173 1131525427 /nfs/dbraw/zinc/52/54/27/1131525427.db2.gz HGOHBPLQKCIANF-UHFFFAOYSA-N 0 1 281.403 3.638 20 0 CHADMN C[C@]1(F)CCCN(Cc2ccccc2N2CCCC2)C1 ZINC001138609841 1131525558 /nfs/dbraw/zinc/52/55/58/1131525558.db2.gz GSVPBJGLWUHGNL-KRWDZBQOSA-N 0 1 276.399 3.611 20 0 CHADMN c1cnc(Oc2cccc(CN3CC4(C3)CCCC4)c2)nc1 ZINC001138619174 1131527079 /nfs/dbraw/zinc/52/70/79/1131527079.db2.gz DAHHTANZABJWQD-UHFFFAOYSA-N 0 1 295.386 3.645 20 0 CHADMN COC(=O)c1cccc([C@H](C)Nc2nccc(C)c2C)c1 ZINC001171104361 1131532680 /nfs/dbraw/zinc/53/26/80/1131532680.db2.gz XQHKFJOAQJQCGJ-ZDUSSCGKSA-N 0 1 284.359 3.658 20 0 CHADMN Fc1cc(OC(F)(F)F)ccc1CN1CCC[C@H]2C[C@H]21 ZINC001143794198 1131534040 /nfs/dbraw/zinc/53/40/40/1131534040.db2.gz SHAQUJHPWBJXET-TVQRCGJNSA-N 0 1 289.272 3.709 20 0 CHADMN FC[C@@H]1CCCN(Cc2cc(F)ccc2Cl)C1 ZINC001138674552 1131535090 /nfs/dbraw/zinc/53/50/90/1131535090.db2.gz VRAUNLNMUGJCJC-JTQLQIEISA-N 0 1 259.727 3.661 20 0 CHADMN FC[C@H]1CCCN(Cc2cc(F)ccc2Cl)C1 ZINC001138674553 1131535219 /nfs/dbraw/zinc/53/52/19/1131535219.db2.gz VRAUNLNMUGJCJC-SNVBAGLBSA-N 0 1 259.727 3.661 20 0 CHADMN CCCN(Cc1ccccc1)Cc1cnc(SC)nc1 ZINC001138705551 1131539244 /nfs/dbraw/zinc/53/92/44/1131539244.db2.gz VAHOEWQHKCUMSC-UHFFFAOYSA-N 0 1 287.432 3.611 20 0 CHADMN CSc1ncc(CN(Cc2ccccc2)C(C)C)cn1 ZINC001138701306 1131539286 /nfs/dbraw/zinc/53/92/86/1131539286.db2.gz YVTLICYUNNYERQ-UHFFFAOYSA-N 0 1 287.432 3.609 20 0 CHADMN Brc1ccc(CN2CC[C@@H]3CCC[C@H]3C2)o1 ZINC001138904763 1131559218 /nfs/dbraw/zinc/55/92/18/1131559218.db2.gz OZPFYRUNWNPCGN-QWRGUYRKSA-N 0 1 284.197 3.664 20 0 CHADMN CCCCc1ccc(CN2CCCC(=O)[C@H](C)C2)s1 ZINC001138753409 1131545839 /nfs/dbraw/zinc/54/58/39/1131545839.db2.gz QQPOBDCKWWVQBI-CYBMUJFWSA-N 0 1 279.449 3.892 20 0 CHADMN CCC[C@@H](C(=O)NOCC(F)F)c1ccc(Cl)cc1 ZINC000832185131 1131545950 /nfs/dbraw/zinc/54/59/50/1131545950.db2.gz CZBRMLKUTVXEHL-LLVKDONJSA-N 0 1 291.725 3.537 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)N(Cc2cc3n(n2)CCCC3)C1 ZINC000844329630 1131549340 /nfs/dbraw/zinc/54/93/40/1131549340.db2.gz IXNVJOYOJMWUQE-KXBFYZLASA-N 0 1 295.430 3.803 20 0 CHADMN COc1ccc(CN2CCC[C@H](C)CC2)c(F)c1F ZINC001143903651 1131550649 /nfs/dbraw/zinc/55/06/49/1131550649.db2.gz GSIBZXMMTFXPPS-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CCN(Cc1cccnc1)Cc1ccc2occc2c1 ZINC001138825323 1131554227 /nfs/dbraw/zinc/55/42/27/1131554227.db2.gz ULOAYMJZTJYNOI-UHFFFAOYSA-N 0 1 266.344 3.850 20 0 CHADMN CCOc1ccc(F)c(CN2CCC[C@@H](C)[C@H]2C)c1F ZINC001143937358 1131556261 /nfs/dbraw/zinc/55/62/61/1131556261.db2.gz KSSXJLGPQALYNW-VXGBXAGGSA-N 0 1 283.362 3.984 20 0 CHADMN C[C@H]1CCCN(Cc2cc(F)cnc2Cl)C[C@H]1C ZINC001138891174 1131557824 /nfs/dbraw/zinc/55/78/24/1131557824.db2.gz OJQYFGARHMMJJM-WDEREUQCSA-N 0 1 270.779 3.742 20 0 CHADMN COCC[C@H]1CCCCN1Cc1csc(C(C)C)n1 ZINC001138886858 1131558475 /nfs/dbraw/zinc/55/84/75/1131558475.db2.gz HZRXLXACASARFK-CQSZACIVSA-N 0 1 282.453 3.658 20 0 CHADMN CCCCCN(CCCCC)Cc1nc(C)c[nH]1 ZINC001138939158 1131562094 /nfs/dbraw/zinc/56/20/94/1131562094.db2.gz GZPKXMILNPXXEB-UHFFFAOYSA-N 0 1 251.418 3.901 20 0 CHADMN COc1ccc(F)c(CN2CCCCC[C@@H]2C)c1F ZINC001143976728 1131563433 /nfs/dbraw/zinc/56/34/33/1131563433.db2.gz LHBRNSFSJDVWTQ-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2c3cc[nH]c3ncc2Cl)C1 ZINC001138947399 1131563532 /nfs/dbraw/zinc/56/35/32/1131563532.db2.gz ABNBPECHQMVWGX-OAHLLOKOSA-N 0 1 295.789 3.882 20 0 CHADMN Fc1cccc(F)c1CCN1CCC[C@@]2(CC2(F)F)C1 ZINC000844440447 1131564471 /nfs/dbraw/zinc/56/44/71/1131564471.db2.gz CPCWRLASRKLXJM-CQSZACIVSA-N 0 1 287.300 3.629 20 0 CHADMN CC(C)COc1ccc(CN2CC(c3cccnc3)C2)cc1 ZINC001138969586 1131566402 /nfs/dbraw/zinc/56/64/02/1131566402.db2.gz CAFMLBXNKSMPSF-UHFFFAOYSA-N 0 1 296.414 3.716 20 0 CHADMN CCCOc1ccccc1CN1CC(C)(C)OC(C)(C)C1 ZINC001138999102 1131569981 /nfs/dbraw/zinc/56/99/81/1131569981.db2.gz WJXBCRLLNCRUHB-UHFFFAOYSA-N 0 1 291.435 3.865 20 0 CHADMN Clc1ccc2c(c1)CC[C@@H](N1CCn3cccc3C1)C2 ZINC001171128235 1131570956 /nfs/dbraw/zinc/57/09/56/1131570956.db2.gz FWRUEFDYVZNOAJ-MRXNPFEDSA-N 0 1 286.806 3.515 20 0 CHADMN CCOc1c(F)cc(CN2CC[C@H](C)C[C@@H]2C)cc1F ZINC001144030545 1131571014 /nfs/dbraw/zinc/57/10/14/1131571014.db2.gz CZZXPTKLWISOLF-RYUDHWBXSA-N 0 1 283.362 3.984 20 0 CHADMN COC[C@@H]1CCN1Cc1ccc(-c2cccs2)s1 ZINC001139018518 1131573830 /nfs/dbraw/zinc/57/38/30/1131573830.db2.gz FMIULEKOKDCLMT-NSHDSACASA-N 0 1 279.430 3.697 20 0 CHADMN CCOc1c(F)cc(CN2CCC[C@H]2CC)cc1F ZINC001144028289 1131574741 /nfs/dbraw/zinc/57/47/41/1131574741.db2.gz YUROIEYBMWBVPS-GFCCVEGCSA-N 0 1 269.335 3.738 20 0 CHADMN CCn1ccc2c1cccc2CN1CC[C@@](C)(F)[C@@H](F)C1 ZINC001139153366 1131586404 /nfs/dbraw/zinc/58/64/04/1131586404.db2.gz RBGVPOUESCLVNF-DLBZAZTESA-N 0 1 292.373 3.933 20 0 CHADMN Cc1c(O)cccc1CN1CC[C@H]1c1ccccc1 ZINC001144117573 1131586505 /nfs/dbraw/zinc/58/65/05/1131586505.db2.gz HNMYXQUENUDYPC-INIZCTEOSA-N 0 1 253.345 3.648 20 0 CHADMN Cn1ccc2c1cccc2CN1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001139157945 1131587583 /nfs/dbraw/zinc/58/75/83/1131587583.db2.gz UROKJCQWFVUDFP-AEFFLSMTSA-N 0 1 296.414 3.512 20 0 CHADMN Cn1ccc2c1cccc2CN1Cc2ccccc2C1 ZINC001139157614 1131587874 /nfs/dbraw/zinc/58/78/74/1131587874.db2.gz QGCDOCDHWMSYDJ-UHFFFAOYSA-N 0 1 262.356 3.694 20 0 CHADMN CC1CC(N(C)Cc2cc(Cl)c(F)cc2F)C1 ZINC001144126081 1131588493 /nfs/dbraw/zinc/58/84/93/1131588493.db2.gz YEIRMFRQRNQLFR-UHFFFAOYSA-N 0 1 259.727 3.849 20 0 CHADMN CCc1cc(CN2CCCC[C@H](F)C2)cc(CC)c1O ZINC001144138670 1131589497 /nfs/dbraw/zinc/58/94/97/1131589497.db2.gz YYENRHJOVFKLDF-INIZCTEOSA-N 0 1 279.399 3.841 20 0 CHADMN CCc1cc(CN(C)Cc2cccnc2)cc(CC)c1O ZINC001144136688 1131589727 /nfs/dbraw/zinc/58/97/27/1131589727.db2.gz DCKJLGFZMLTXCK-UHFFFAOYSA-N 0 1 284.403 3.544 20 0 CHADMN CN(Cc1ccc(Cl)nc1)Cc1ccc2c(ccn2C)c1 ZINC001139189454 1131592379 /nfs/dbraw/zinc/59/23/79/1131592379.db2.gz CIGQNBZMQIPJIV-UHFFFAOYSA-N 0 1 299.805 3.859 20 0 CHADMN CCc1cc(CN(C)Cc2cccnc2C)cc(CC)c1O ZINC001144151370 1131593070 /nfs/dbraw/zinc/59/30/70/1131593070.db2.gz UHQRMQUYKCJBOE-UHFFFAOYSA-N 0 1 298.430 3.852 20 0 CHADMN CCN(Cc1cccs1)Cc1ccc2cc[nH]c2n1 ZINC001144187390 1131596951 /nfs/dbraw/zinc/59/69/51/1131596951.db2.gz GGARMGKLUWKMDC-UHFFFAOYSA-N 0 1 271.389 3.647 20 0 CHADMN Cc1cc(Br)cc(CN2CCCCC2)c1 ZINC001144212817 1131598449 /nfs/dbraw/zinc/59/84/49/1131598449.db2.gz LEVGRQIOVDVCDH-UHFFFAOYSA-N 0 1 268.198 3.743 20 0 CHADMN FC1CCN(Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC001139246297 1131599171 /nfs/dbraw/zinc/59/91/71/1131599171.db2.gz ZSCJZKVJPIGATL-UHFFFAOYSA-N 0 1 286.350 3.808 20 0 CHADMN c1cc(N2CCCCC2)ncc1CN1CC2(C1)CCCCC2 ZINC001139345323 1131603442 /nfs/dbraw/zinc/60/34/42/1131603442.db2.gz JKTUMXRPRCAEQY-UHFFFAOYSA-N 0 1 299.462 3.838 20 0 CHADMN C[C@H]1CCN1Cc1cc2ccc(Br)cc2[nH]1 ZINC001139470506 1131609742 /nfs/dbraw/zinc/60/97/42/1131609742.db2.gz NHZHMTOCYQUITF-VIFPVBQESA-N 0 1 279.181 3.525 20 0 CHADMN CC[C@@H]1CCCN1Cc1cccc(Br)c1F ZINC001139533271 1131613885 /nfs/dbraw/zinc/61/38/85/1131613885.db2.gz YJTLSIBOTQWVIM-LLVKDONJSA-N 0 1 286.188 3.963 20 0 CHADMN Fc1c(Br)cccc1CN1C[C@@H]2CCC[C@H]2C1 ZINC001139531576 1131613914 /nfs/dbraw/zinc/61/39/14/1131613914.db2.gz IBYTUHXCKZRNKZ-QWRGUYRKSA-N 0 1 298.199 3.820 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC001139553222 1131615420 /nfs/dbraw/zinc/61/54/20/1131615420.db2.gz PEMGRCUOLXVSJL-QGZVFWFLSA-N 0 1 287.382 3.791 20 0 CHADMN Cc1cnc(Cl)c(CN2[C@@H](C)CCC[C@@H]2C)c1 ZINC001139587635 1131618817 /nfs/dbraw/zinc/61/88/17/1131618817.db2.gz BCQRBJAEAVOXQS-RYUDHWBXSA-N 0 1 252.789 3.806 20 0 CHADMN CCOc1ccc(CN2C3CCC2CC3)cc1Cl ZINC001139596237 1131619979 /nfs/dbraw/zinc/61/99/79/1131619979.db2.gz UOTBIRJWZYTPSR-UHFFFAOYSA-N 0 1 265.784 3.866 20 0 CHADMN Cc1cc(O)cc(C)c1C[N@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001139712754 1131630868 /nfs/dbraw/zinc/63/08/68/1131630868.db2.gz WVDKWXSYENXKJM-CQSZACIVSA-N 0 1 287.325 3.578 20 0 CHADMN Cc1cc(O)cc(C)c1CN1CCCC(F)(F)[C@H](F)C1 ZINC001139712754 1131630871 /nfs/dbraw/zinc/63/08/71/1131630871.db2.gz WVDKWXSYENXKJM-CQSZACIVSA-N 0 1 287.325 3.578 20 0 CHADMN COc1ncc(Cl)cc1CN1CC[C@H]2CCCC[C@@H]2C1 ZINC001139750364 1131635032 /nfs/dbraw/zinc/63/50/32/1131635032.db2.gz BWBLMQBPBXEGLH-CHWSQXEVSA-N 0 1 294.826 3.756 20 0 CHADMN COCc1ccc(CN2CCC[C@@H]2c2ccncc2)s1 ZINC001139827463 1131640000 /nfs/dbraw/zinc/64/00/00/1131640000.db2.gz YDVFKYACPQMIGY-MRXNPFEDSA-N 0 1 288.416 3.627 20 0 CHADMN COCc1ccc(CN2CCC[C@H]2c2ccncc2)s1 ZINC001139827462 1131640452 /nfs/dbraw/zinc/64/04/52/1131640452.db2.gz YDVFKYACPQMIGY-INIZCTEOSA-N 0 1 288.416 3.627 20 0 CHADMN Fc1cc(CN2CC[C@H](c3ccccc3Cl)C2)ccn1 ZINC001139834006 1131640585 /nfs/dbraw/zinc/64/05/85/1131640585.db2.gz WYMHRUJBNFAKHC-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN CCOC1CN(Cc2cccc3c4ccccc4oc32)C1 ZINC001139857543 1131640919 /nfs/dbraw/zinc/64/09/19/1131640919.db2.gz NBTOZKWAHWOLFX-UHFFFAOYSA-N 0 1 281.355 3.807 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@H](C)c3ccc(C)cc3)ccc12 ZINC001144453196 1131641588 /nfs/dbraw/zinc/64/15/88/1131641588.db2.gz CASLWPGUOFYZTO-GFCCVEGCSA-N 0 1 293.370 3.922 20 0 CHADMN COc1cc(Cl)cc(C[N@@H+](C)Cc2cccc(O)c2)c1 ZINC001144478407 1131641780 /nfs/dbraw/zinc/64/17/80/1131641780.db2.gz HGCASDRBWHXGGS-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN COc1cc(Cl)cc(CN(C)Cc2cccc(O)c2)c1 ZINC001144478407 1131641782 /nfs/dbraw/zinc/64/17/82/1131641782.db2.gz HGCASDRBWHXGGS-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN Cn1c(CN2CCc3ccccc3C2)cc2ccccc21 ZINC001139866381 1131642157 /nfs/dbraw/zinc/64/21/57/1131642157.db2.gz RTIXLZDZGAIPTD-UHFFFAOYSA-N 0 1 276.383 3.737 20 0 CHADMN Cn1c(CN2CC(C)(C)OC(C)(C)C2)cc2ccccc21 ZINC001139872748 1131644446 /nfs/dbraw/zinc/64/44/46/1131644446.db2.gz WCOKFIIMKRKBDI-UHFFFAOYSA-N 0 1 286.419 3.568 20 0 CHADMN O=C1CC[N@@H+](Cc2ccccc2C2CC2)[C@H]2CCCC[C@@H]12 ZINC001139880065 1131645039 /nfs/dbraw/zinc/64/50/39/1131645039.db2.gz XFCOSIWRMADPRY-MSOLQXFVSA-N 0 1 283.415 3.898 20 0 CHADMN O=C1CCN(Cc2ccccc2C2CC2)[C@H]2CCCC[C@@H]12 ZINC001139880065 1131645042 /nfs/dbraw/zinc/64/50/42/1131645042.db2.gz XFCOSIWRMADPRY-MSOLQXFVSA-N 0 1 283.415 3.898 20 0 CHADMN Fc1ccc(CN2CCc3cnccc3C2)c2ccccc12 ZINC001139887955 1131646637 /nfs/dbraw/zinc/64/66/37/1131646637.db2.gz FWUVCTYKMNNQQT-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN CC[C@@]12C[C@@H](CO1)N(Cc1ccc(F)c3ccccc13)C2 ZINC001139891642 1131647660 /nfs/dbraw/zinc/64/76/60/1131647660.db2.gz CZBMWTLRPBIQGY-KSSFIOAISA-N 0 1 285.362 3.732 20 0 CHADMN Cc1coc(CNCc2cccc(Br)c2C)c1 ZINC001202981267 1131650115 /nfs/dbraw/zinc/65/01/15/1131650115.db2.gz XUCXGMXLMIELGZ-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2c2ccccc2F)cn1 ZINC001139932703 1131650775 /nfs/dbraw/zinc/65/07/75/1131650775.db2.gz KQSQVCULGACSAM-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1nccn1-c1ccccc1CN1Cc2ccccc2C1 ZINC001140023403 1131656852 /nfs/dbraw/zinc/65/68/52/1131656852.db2.gz NIWIFTCEYKHKST-UHFFFAOYSA-N 0 1 289.382 3.697 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001140052023 1131658187 /nfs/dbraw/zinc/65/81/87/1131658187.db2.gz BOEAARSVLSXNRG-CHWSQXEVSA-N 0 1 263.356 3.543 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC001140049155 1131658647 /nfs/dbraw/zinc/65/86/47/1131658647.db2.gz YCRPKHDNQDCAHS-INIZCTEOSA-N 0 1 299.389 3.986 20 0 CHADMN CSc1nccc(C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)n1 ZINC001140037699 1131658854 /nfs/dbraw/zinc/65/88/54/1131658854.db2.gz BNBSQHCQJWPVFW-MRXNPFEDSA-N 0 1 299.443 3.844 20 0 CHADMN CSc1nccc(CN2CCC[C@@H]2c2ccc(C)cc2)n1 ZINC001140037699 1131658855 /nfs/dbraw/zinc/65/88/55/1131658855.db2.gz BNBSQHCQJWPVFW-MRXNPFEDSA-N 0 1 299.443 3.844 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC001140048750 1131659050 /nfs/dbraw/zinc/65/90/50/1131659050.db2.gz NTIAFOZDVCWAOI-AWEZNQCLSA-N 0 1 271.335 3.521 20 0 CHADMN CCCCC[N@@H+](C)Cc1cccc(Cl)c1OC ZINC001140056375 1131660189 /nfs/dbraw/zinc/66/01/89/1131660189.db2.gz UGWDYTNHYSNJLE-UHFFFAOYSA-N 0 1 255.789 3.971 20 0 CHADMN CC(C)CN(C)Cc1cnc(Br)cc1Cl ZINC001140075018 1131661179 /nfs/dbraw/zinc/66/11/79/1131661179.db2.gz ZCUZXKFZPCSDIC-UHFFFAOYSA-N 0 1 291.620 3.585 20 0 CHADMN Fc1ccc(-c2ncc(CN3CCC(F)CC3)s2)cc1 ZINC001140093142 1131662475 /nfs/dbraw/zinc/66/24/75/1131662475.db2.gz ULYPQKLWVSLSFO-UHFFFAOYSA-N 0 1 294.370 3.883 20 0 CHADMN Oc1ccc(CN2CCC3(CC(F)C3)CC2)c(Cl)c1 ZINC001140082314 1131662761 /nfs/dbraw/zinc/66/27/61/1131662761.db2.gz RMCPKNYMKSWJEG-UHFFFAOYSA-N 0 1 283.774 3.760 20 0 CHADMN O=C1CCN(Cc2cccc3cnccc32)[C@@H]2CCCC[C@@H]12 ZINC001140140803 1131666562 /nfs/dbraw/zinc/66/65/62/1131666562.db2.gz LRTOXFLTWMJVBH-QZTJIDSGSA-N 0 1 294.398 3.568 20 0 CHADMN Fc1cccc(CN2CCC(c3cccs3)CC2)n1 ZINC001140133497 1131666744 /nfs/dbraw/zinc/66/67/44/1131666744.db2.gz KFBHOATYHRENAX-UHFFFAOYSA-N 0 1 276.380 3.662 20 0 CHADMN CN(Cc1ccc(-c2ccncc2)cc1)Cc1cccnc1 ZINC001140168178 1131671475 /nfs/dbraw/zinc/67/14/75/1131671475.db2.gz SRENCROLUCYPAL-UHFFFAOYSA-N 0 1 289.382 3.776 20 0 CHADMN CCc1cc(CN[C@@H]2CCc3ccc(F)c(Cl)c32)[nH]n1 ZINC000845935741 1131672114 /nfs/dbraw/zinc/67/21/14/1131672114.db2.gz FNHCDNVGNHLBJU-CYBMUJFWSA-N 0 1 293.773 3.542 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCCC3(CCCC3)C2)cc1F ZINC001144648174 1131673460 /nfs/dbraw/zinc/67/34/60/1131673460.db2.gz PECIJBPDWSZLKO-UHFFFAOYSA-N 0 1 281.346 3.827 20 0 CHADMN CCC[C@H]1CC[C@H](C(=O)Nc2ccc3[nH]nnc3c2)CC1 ZINC001144643074 1131675449 /nfs/dbraw/zinc/67/54/49/1131675449.db2.gz ZUUXARXHNSUPQP-HAQNSBGRSA-N 0 1 286.379 3.503 20 0 CHADMN COc1ccccc1CN(C)Cc1cc(C)c(O)cc1C ZINC001140199952 1131676217 /nfs/dbraw/zinc/67/62/17/1131676217.db2.gz JCHUYJNCALJOIO-UHFFFAOYSA-N 0 1 285.387 3.650 20 0 CHADMN CC(C)O[C@H]1CCCN(Cc2cnc(C(C)C)s2)C1 ZINC000846014727 1131678120 /nfs/dbraw/zinc/67/81/20/1131678120.db2.gz JIJXTBJLVYOPII-ZDUSSCGKSA-N 0 1 282.453 3.656 20 0 CHADMN CCC(CC)[N@@H+](CC)Cc1cc(F)c([O-])cc1F ZINC001144658433 1131679477 /nfs/dbraw/zinc/67/94/77/1131679477.db2.gz WGRYKRWBPIELSO-UHFFFAOYSA-N 0 1 257.324 3.681 20 0 CHADMN O=C([O-])c1ccsc1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001144677482 1131679792 /nfs/dbraw/zinc/67/97/92/1131679792.db2.gz RUSRBEKWQVTCHR-WCQYABFASA-N 0 1 279.405 3.601 20 0 CHADMN CC(C)(C)[N@@H+](Cc1ccccc1)Cc1ccncc1[O-] ZINC001140275104 1131686868 /nfs/dbraw/zinc/68/68/68/1131686868.db2.gz LHHIBLADZXXDEV-UHFFFAOYSA-N 0 1 270.376 3.588 20 0 CHADMN FC1(F)[C@H]2CN(Cc3ccccc3OC3CCCC3)C[C@H]21 ZINC000846110251 1131687395 /nfs/dbraw/zinc/68/73/95/1131687395.db2.gz GDJBGNQECCOWBZ-GASCZTMLSA-N 0 1 293.357 3.705 20 0 CHADMN CC[C@@H](NCc1c(C)cccc1F)c1ccncc1 ZINC000834602078 1131687540 /nfs/dbraw/zinc/68/75/40/1131687540.db2.gz ISIJRTIPHCCTEW-MRXNPFEDSA-N 0 1 258.340 3.770 20 0 CHADMN CCCCCOc1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000846112361 1131688040 /nfs/dbraw/zinc/68/80/40/1131688040.db2.gz VINFQPOFTZUEAQ-IYBDPMFKSA-N 0 1 295.373 3.953 20 0 CHADMN Fc1cccc(Cl)c1CCCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000846113196 1131688161 /nfs/dbraw/zinc/68/81/61/1131688161.db2.gz WDKIVDHGVDBAJX-PHIMTYICSA-N 0 1 289.728 3.609 20 0 CHADMN F[C@@H]1CN(Cc2ccccc2-c2cccnc2)C[C@@H]2C[C@@H]21 ZINC001140315514 1131695317 /nfs/dbraw/zinc/69/53/17/1131695317.db2.gz KTARMQHDSYPGSB-RYQLBKOJSA-N 0 1 282.362 3.538 20 0 CHADMN CCc1cc(CN[C@@H](c2cccnc2)C2CCCCC2)[nH]n1 ZINC000846147440 1131695914 /nfs/dbraw/zinc/69/59/14/1131695914.db2.gz VDTQNGSWFCPNSU-GOSISDBHSA-N 0 1 298.434 3.778 20 0 CHADMN FC(F)[C@H]1CCCN(Cc2ccc3scnc3c2)C1 ZINC001144739098 1131699327 /nfs/dbraw/zinc/69/93/27/1131699327.db2.gz SXFHYTDMAWOFNB-NSHDSACASA-N 0 1 282.359 3.773 20 0 CHADMN C/C(=C/C[N@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000846242207 1131703543 /nfs/dbraw/zinc/70/35/43/1131703543.db2.gz XLICZWWKLAELNT-MMRAYRKESA-N 0 1 293.794 3.896 20 0 CHADMN CSc1cc(N[C@H]2CCCc3[nH]ncc32)ccc1C ZINC000846213964 1131704230 /nfs/dbraw/zinc/70/42/30/1131704230.db2.gz FLYVKQTUHZVUMV-ZDUSSCGKSA-N 0 1 273.405 3.930 20 0 CHADMN O=C([O-])[C@]12CCC[C@@H]1C[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC000846283831 1131704761 /nfs/dbraw/zinc/70/47/61/1131704761.db2.gz HZRPTBIJQOQKKX-MJGOQNOKSA-N 0 1 295.382 3.527 20 0 CHADMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C3CCC3)cc1)C2 ZINC000846283892 1131705232 /nfs/dbraw/zinc/70/52/32/1131705232.db2.gz KABLPAQFVMNRTP-HKUYNNGSSA-N 0 1 299.414 3.641 20 0 CHADMN CC[C@@H](C)[N@@H+](C)Cc1sc(N2CCCC2)nc1Cl ZINC001140362436 1131706602 /nfs/dbraw/zinc/70/66/02/1131706602.db2.gz VSFTXTRNYICAFM-SNVBAGLBSA-N 0 1 287.860 3.627 20 0 CHADMN CC[C@@H](C)N(C)Cc1sc(N2CCCC2)nc1Cl ZINC001140362436 1131706606 /nfs/dbraw/zinc/70/66/06/1131706606.db2.gz VSFTXTRNYICAFM-SNVBAGLBSA-N 0 1 287.860 3.627 20 0 CHADMN C[N@H+](Cc1sc(N2CCCC2)nc1Cl)CC1CCC1 ZINC001140364621 1131706741 /nfs/dbraw/zinc/70/67/41/1131706741.db2.gz KESBGSMCNDBVGZ-UHFFFAOYSA-N 0 1 299.871 3.629 20 0 CHADMN CN(Cc1sc(N2CCCC2)nc1Cl)CC1CCC1 ZINC001140364621 1131706744 /nfs/dbraw/zinc/70/67/44/1131706744.db2.gz KESBGSMCNDBVGZ-UHFFFAOYSA-N 0 1 299.871 3.629 20 0 CHADMN CCc1nnc(CN[C@H](CC)c2cccc3ccccc32)[nH]1 ZINC000834815101 1131707364 /nfs/dbraw/zinc/70/73/64/1131707364.db2.gz SXENMKOHPPXOLR-MRXNPFEDSA-N 0 1 294.402 3.761 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@@H]2N[C@H]1CCn2ccnc21 ZINC000834833295 1131709057 /nfs/dbraw/zinc/70/90/57/1131709057.db2.gz YKHWXZDVZVHDKF-HOTGVXAUSA-N 0 1 281.403 3.612 20 0 CHADMN c1ccc(-c2ccc(CN3CCOCC34CCC4)cc2)nc1 ZINC001140381349 1131709780 /nfs/dbraw/zinc/70/97/80/1131709780.db2.gz VVZBCVPIFJBFNK-UHFFFAOYSA-N 0 1 294.398 3.504 20 0 CHADMN C[C@@H](N[C@@H]1CCn2ccnc21)c1cc2c(s1)CCCC2 ZINC000834837826 1131710277 /nfs/dbraw/zinc/71/02/77/1131710277.db2.gz ZHLACVUAGDHZCT-DGCLKSJQSA-N 0 1 287.432 3.619 20 0 CHADMN CC(C)(C)Nc1nc(Cl)c(CN2C[C@H]3CC[C@@H]2C3)s1 ZINC001140391844 1131712292 /nfs/dbraw/zinc/71/22/92/1131712292.db2.gz AKPOQLGZSXBMIZ-VHSXEESVSA-N 0 1 299.871 3.991 20 0 CHADMN CC[N@@H+]1CCC[C@@H](Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227647566 1131720439 /nfs/dbraw/zinc/72/04/39/1131720439.db2.gz ZVCZIVNTCRSORR-SECBINFHSA-N 0 1 290.190 3.562 20 0 CHADMN COc1ccc(C)cc1CN[C@@H](C)c1ccnc(Cl)c1 ZINC000772950486 1131720626 /nfs/dbraw/zinc/72/06/26/1131720626.db2.gz ITHCLKDYFROLBE-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN CCc1nc(CN[C@@H]2C[C@H](c3ccccc3)C2(C)C)co1 ZINC000834897774 1131722445 /nfs/dbraw/zinc/72/24/45/1131722445.db2.gz IFWJXMFSCLHVAE-HZPDHXFCSA-N 0 1 284.403 3.909 20 0 CHADMN CC(C)c1ccccc1CNc1nccn1C1CC1 ZINC000846777610 1131732879 /nfs/dbraw/zinc/73/28/79/1131732879.db2.gz QHZGCBLYOSBMMW-UHFFFAOYSA-N 0 1 255.365 3.954 20 0 CHADMN CN(Cc1c[nH]c2cccc(Cl)c12)Cc1ccncc1 ZINC001140433320 1131734440 /nfs/dbraw/zinc/73/44/40/1131734440.db2.gz WILAYVAYIIOYFN-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN BrC1(CN2CCC[C@H]2c2ccsc2)CC1 ZINC000846771339 1131738019 /nfs/dbraw/zinc/73/80/19/1131738019.db2.gz IKOPTWOKZHEZKG-NSHDSACASA-N 0 1 286.238 3.813 20 0 CHADMN CCOc1ccc(O[C@H]2CCC[N@H+](C(C)C)C2)c(F)c1F ZINC001227879524 1131758227 /nfs/dbraw/zinc/75/82/27/1131758227.db2.gz MGYQGXXEIOTEEV-LBPRGKRZSA-N 0 1 299.361 3.615 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001140503975 1131770950 /nfs/dbraw/zinc/77/09/50/1131770950.db2.gz RCWQVZLYNHVDLR-CQSZACIVSA-N 0 1 299.345 3.513 20 0 CHADMN Fc1cccc(CN2CC3CCC2CC3)c1Cl ZINC001140562932 1131794514 /nfs/dbraw/zinc/79/45/14/1131794514.db2.gz LYXMKWLOWKYSAT-UHFFFAOYSA-N 0 1 253.748 3.854 20 0 CHADMN Cc1ccc(F)cc1CN1CCc2ccccc2C1 ZINC001140588192 1131811672 /nfs/dbraw/zinc/81/16/72/1131811672.db2.gz GCDLZKGPLRHJPI-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN CCN(Cc1cccnc1)Cc1cc(F)ccc1C ZINC001140593211 1131814832 /nfs/dbraw/zinc/81/48/32/1131814832.db2.gz WOVCEKHNPMYDRG-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN CC(C)(C)Oc1ccnc(N[C@@H]2COCc3ccccc32)c1 ZINC001171301687 1131817796 /nfs/dbraw/zinc/81/77/96/1131817796.db2.gz OECVXYYNZZAVCG-MRXNPFEDSA-N 0 1 298.386 3.942 20 0 CHADMN Cc1ccc(C(=O)Nc2c(Cl)ccc(O)c2Cl)nc1 ZINC001147452853 1131824479 /nfs/dbraw/zinc/82/44/79/1131824479.db2.gz NTJOQRZDHLCSRQ-UHFFFAOYSA-N 0 1 297.141 3.655 20 0 CHADMN CN(CCCc1ccccc1)Cc1cc(Cl)ncc1F ZINC001140607699 1131825588 /nfs/dbraw/zinc/82/55/88/1131825588.db2.gz SYALYWYJKFONAY-UHFFFAOYSA-N 0 1 292.785 3.939 20 0 CHADMN COc1ccc(Cl)c2c1C[C@H](N1CC3(CCC3)C1)CC2 ZINC001171312158 1131829631 /nfs/dbraw/zinc/82/96/31/1131829631.db2.gz QSOZEMWNMCWLSF-GFCCVEGCSA-N 0 1 291.822 3.692 20 0 CHADMN COc1ccc(Cl)c2c1C[C@@H](N1CC3(CCC3)C1)CC2 ZINC001171312160 1131830584 /nfs/dbraw/zinc/83/05/84/1131830584.db2.gz QSOZEMWNMCWLSF-LBPRGKRZSA-N 0 1 291.822 3.692 20 0 CHADMN CCc1cc(C(=O)Nc2nc3cccc(C)c3[nH]2)cs1 ZINC001147702041 1131832043 /nfs/dbraw/zinc/83/20/43/1131832043.db2.gz DRKALDLZNSSPEB-UHFFFAOYSA-N 0 1 285.372 3.748 20 0 CHADMN Oc1cc(CN2CC3(C2)CCCCC3)ccc1OC(F)F ZINC001140630268 1131835057 /nfs/dbraw/zinc/83/50/57/1131835057.db2.gz OYAMGCXABFSYSD-UHFFFAOYSA-N 0 1 297.345 3.760 20 0 CHADMN CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(Cl)c(O)c1 ZINC001147859843 1131837668 /nfs/dbraw/zinc/83/76/68/1131837668.db2.gz BSCAHPLPIZEGJC-ZJUUUORDSA-N 0 1 269.772 3.600 20 0 CHADMN Cc1cc(C[N@@H+](Cc2ccco2)C2CC2)cc(C)c1O ZINC001140659789 1131854202 /nfs/dbraw/zinc/85/42/02/1131854202.db2.gz RZBFWAAMEDIYHU-UHFFFAOYSA-N 0 1 271.360 3.767 20 0 CHADMN Cc1cc(CN(Cc2ccco2)C2CC2)cc(C)c1O ZINC001140659789 1131854212 /nfs/dbraw/zinc/85/42/12/1131854212.db2.gz RZBFWAAMEDIYHU-UHFFFAOYSA-N 0 1 271.360 3.767 20 0 CHADMN C[C@@H]1CCc2ccccc2N1C(=O)c1c(O)cccc1F ZINC000235342756 1131854911 /nfs/dbraw/zinc/85/49/11/1131854911.db2.gz XCNIJNVGDIDJQD-LLVKDONJSA-N 0 1 285.318 3.513 20 0 CHADMN Cc1nc2ccc(O[C@H](C)c3ccc(C)nc3)cc2[nH]1 ZINC001228327687 1131858014 /nfs/dbraw/zinc/85/80/14/1131858014.db2.gz TYFIYLPCIOFAQY-LLVKDONJSA-N 0 1 267.332 3.715 20 0 CHADMN CO[C@@H](CSc1nc(C(C)(C)C)n[nH]1)c1ccccc1 ZINC000282709606 1131879654 /nfs/dbraw/zinc/87/96/54/1131879654.db2.gz URIZXGBTXZKSBA-LBPRGKRZSA-N 0 1 291.420 3.582 20 0 CHADMN CO[C@@H](CSc1n[nH]c(C(C)(C)C)n1)c1ccccc1 ZINC000282709606 1131879661 /nfs/dbraw/zinc/87/96/61/1131879661.db2.gz URIZXGBTXZKSBA-LBPRGKRZSA-N 0 1 291.420 3.582 20 0 CHADMN CC[C@H](C)[C@@H](C)N(CC(=O)c1cc(C)[nH]c1C)C1CC1 ZINC000348104537 1131880800 /nfs/dbraw/zinc/88/08/00/1131880800.db2.gz QEYVHPDHGUHQSJ-SMDDNHRTSA-N 0 1 276.424 3.713 20 0 CHADMN Nc1ccc(Cl)cc1CN1CC2(C1)CCCCC2 ZINC001140718051 1131892066 /nfs/dbraw/zinc/89/20/66/1131892066.db2.gz RSYHOLLHYHBJKU-UHFFFAOYSA-N 0 1 264.800 3.688 20 0 CHADMN CC[C@@H](Oc1[nH]c(=O)ncc1Cl)c1cccc(F)c1C ZINC001228483815 1131892974 /nfs/dbraw/zinc/89/29/74/1131892974.db2.gz ZEPJXFBNZWNJRU-GFCCVEGCSA-N 0 1 296.729 3.813 20 0 CHADMN O=c1ncc(Cl)c(O[C@@H]2CCc3cc(Cl)ccc32)[nH]1 ZINC001228480903 1131893537 /nfs/dbraw/zinc/89/35/37/1131893537.db2.gz ROOIGSKNRPZORK-LLVKDONJSA-N 0 1 297.141 3.555 20 0 CHADMN CC(C)[C@H](Oc1[nH]c(=O)ncc1Cl)c1ccccc1 ZINC001228480438 1131893945 /nfs/dbraw/zinc/89/39/45/1131893945.db2.gz KMXGADUZOVFADW-LBPRGKRZSA-N 0 1 278.739 3.612 20 0 CHADMN COc1ccc2c(c1)CN(Cc1ccc(F)cc1C)CC2 ZINC001140778528 1131912500 /nfs/dbraw/zinc/91/25/00/1131912500.db2.gz WOPIUMKXQGFXGL-UHFFFAOYSA-N 0 1 285.362 3.701 20 0 CHADMN FC1(F)CSC2(CN(Cc3coc4ccccc34)C2)C1 ZINC001140786652 1131918438 /nfs/dbraw/zinc/91/84/38/1131918438.db2.gz KDEMSSFSKCLDDP-UHFFFAOYSA-N 0 1 295.354 3.759 20 0 CHADMN Cc1ccc(CN2CC[C@@H]3CCCO[C@H]3C2)c(Cl)c1 ZINC001140797061 1131923253 /nfs/dbraw/zinc/92/32/53/1131923253.db2.gz IXZXHXVXWXCSQF-BBRMVZONSA-N 0 1 279.811 3.649 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c(Cl)c1 ZINC001140797061 1131923247 /nfs/dbraw/zinc/92/32/47/1131923247.db2.gz IXZXHXVXWXCSQF-BBRMVZONSA-N 0 1 279.811 3.649 20 0 CHADMN CC(C)C1CCN(Cc2cc(O)cc(Cl)c2)CC1 ZINC001140797866 1131923796 /nfs/dbraw/zinc/92/37/96/1131923796.db2.gz UPPBCTJFMDDZGH-UHFFFAOYSA-N 0 1 267.800 3.914 20 0 CHADMN CC(C)[C@H](Oc1ccc2[nH]nnc2c1)c1ccccc1 ZINC001228663325 1131930221 /nfs/dbraw/zinc/93/02/21/1131930221.db2.gz AHYLBAXVOJWGMN-INIZCTEOSA-N 0 1 267.332 3.734 20 0 CHADMN CCc1noc(C)c1[C@H](C)NCc1ccc(OC)cc1C ZINC000773059215 1131932096 /nfs/dbraw/zinc/93/20/96/1131932096.db2.gz LUQMVPMLKXUYAO-LBPRGKRZSA-N 0 1 288.391 3.713 20 0 CHADMN COc1cc(F)c(CN2CC[C@@H]3CCC[C@H]3C2)c(F)c1 ZINC001140824788 1131937207 /nfs/dbraw/zinc/93/72/07/1131937207.db2.gz IZJRBCPJSJGCRA-RYUDHWBXSA-N 0 1 281.346 3.595 20 0 CHADMN COc1cc(F)c(CN2CCC[C@H](C)CC2)c(F)c1 ZINC001140824178 1131937318 /nfs/dbraw/zinc/93/73/18/1131937318.db2.gz ABSQVTSOYPBZMS-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CC[C@@H](NCc1cccc(F)n1)c1ccc(C)cc1 ZINC000773087321 1131941951 /nfs/dbraw/zinc/94/19/51/1131941951.db2.gz KESKNHVWDLHUHD-OAHLLOKOSA-N 0 1 258.340 3.770 20 0 CHADMN CC1(C)C[C@H](NCc2cccc(F)n2)c2ccccc21 ZINC000773090549 1131944025 /nfs/dbraw/zinc/94/40/25/1131944025.db2.gz UXKPLFXCRKUCRR-HNNXBMFYSA-N 0 1 270.351 3.733 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@@H]2NCc1cccc(F)n1 ZINC000773097390 1131945754 /nfs/dbraw/zinc/94/57/54/1131945754.db2.gz SUJSQUYSYWHBHJ-DOMZBBRYSA-N 0 1 270.351 3.867 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@H]2NCc1cccc(F)n1 ZINC000773097393 1131945894 /nfs/dbraw/zinc/94/58/94/1131945894.db2.gz SUJSQUYSYWHBHJ-IUODEOHRSA-N 0 1 270.351 3.867 20 0 CHADMN Cc1c([C@H](C)N[C@@H](C)c2ccc[nH]2)cnn1-c1ccccc1 ZINC000773114082 1131949283 /nfs/dbraw/zinc/94/92/83/1131949283.db2.gz CSBGFWFXIJCNQT-KBPBESRZSA-N 0 1 294.402 3.921 20 0 CHADMN COc1cc(F)c([C@H](C)N[C@@H](C)c2ccc[nH]2)cc1OC ZINC000773124255 1131950641 /nfs/dbraw/zinc/95/06/41/1131950641.db2.gz WVWDFONWZPVPQE-QWRGUYRKSA-N 0 1 292.354 3.583 20 0 CHADMN COc1cc([C@@H](C)N[C@H](C)c2cncs2)ccc1F ZINC000773132645 1131954095 /nfs/dbraw/zinc/95/40/95/1131954095.db2.gz PQGGJMQHKZYZQD-NXEZZACHSA-N 0 1 280.368 3.703 20 0 CHADMN CCN1CCC[C@@H](Oc2c(Cl)ccc3cccnc32)C1 ZINC001228792878 1131958133 /nfs/dbraw/zinc/95/81/33/1131958133.db2.gz GLYQBWHBGKCLBZ-CYBMUJFWSA-N 0 1 290.794 3.751 20 0 CHADMN [O-]c1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c(F)c1F ZINC001140889623 1131959410 /nfs/dbraw/zinc/95/94/10/1131959410.db2.gz IRSFIPZDPKCBES-ZDUSSCGKSA-N 0 1 289.325 3.660 20 0 CHADMN [O-]c1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)c(F)c1F ZINC001140889623 1131959416 /nfs/dbraw/zinc/95/94/16/1131959416.db2.gz IRSFIPZDPKCBES-ZDUSSCGKSA-N 0 1 289.325 3.660 20 0 CHADMN CCC[C@H](NC)c1nc(-c2cc(C)ccc2Cl)no1 ZINC001247624218 1131961991 /nfs/dbraw/zinc/96/19/91/1131961991.db2.gz DATFATIKDJDQTP-LBPRGKRZSA-N 0 1 279.771 3.759 20 0 CHADMN CSc1ccccc1[C@H]1CCCN1Cc1cnco1 ZINC001140933743 1131966262 /nfs/dbraw/zinc/96/62/62/1131966262.db2.gz HCLDVMVFPWLROQ-CQSZACIVSA-N 0 1 274.389 3.734 20 0 CHADMN CCN(Cc1cc(C)[nH]n1)Cc1c(F)cccc1Cl ZINC001203081142 1131967875 /nfs/dbraw/zinc/96/78/75/1131967875.db2.gz MDXDZIUSCCRGAY-UHFFFAOYSA-N 0 1 281.762 3.533 20 0 CHADMN FC(F)(F)c1cccc([C@H]2CCN(Cc3ncco3)C2)c1 ZINC001141008417 1131983969 /nfs/dbraw/zinc/98/39/69/1131983969.db2.gz BNNGTXJWWJJJJQ-LBPRGKRZSA-N 0 1 296.292 3.683 20 0 CHADMN C[N@@H+](Cc1c[nH]nc1C(F)(F)F)[C@@H]1CCc2ccccc21 ZINC001141019158 1131984554 /nfs/dbraw/zinc/98/45/54/1131984554.db2.gz WFHVQSYRICCRMT-CYBMUJFWSA-N 0 1 295.308 3.548 20 0 CHADMN CN(Cc1c[nH]nc1C(F)(F)F)[C@@H]1CCc2ccccc21 ZINC001141019158 1131984564 /nfs/dbraw/zinc/98/45/64/1131984564.db2.gz WFHVQSYRICCRMT-CYBMUJFWSA-N 0 1 295.308 3.548 20 0 CHADMN C[N@@H+](Cc1cccc(F)c1)Cc1ccc2cccc(O)c2n1 ZINC001141019506 1131985175 /nfs/dbraw/zinc/98/51/75/1131985175.db2.gz HAUGLVFEBBJUAY-UHFFFAOYSA-N 0 1 296.345 3.712 20 0 CHADMN CN(Cc1cccc(F)c1)Cc1ccc2cccc(O)c2n1 ZINC001141019506 1131985178 /nfs/dbraw/zinc/98/51/78/1131985178.db2.gz HAUGLVFEBBJUAY-UHFFFAOYSA-N 0 1 296.345 3.712 20 0 CHADMN CC[C@@H](Oc1nnc2c[nH]ccc1-2)c1cccc(F)c1C ZINC001228990188 1131994059 /nfs/dbraw/zinc/99/40/59/1131994059.db2.gz MQQMLWQFEWZYSA-OAHLLOKOSA-N 0 1 285.322 3.936 20 0 CHADMN COc1cc([C@@H](C)N[C@H](C)c2ccns2)ccc1F ZINC000715934486 1131997738 /nfs/dbraw/zinc/99/77/38/1131997738.db2.gz XXORLCVIFSJBEV-NXEZZACHSA-N 0 1 280.368 3.703 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccns2)cc1F ZINC000715933727 1131997837 /nfs/dbraw/zinc/99/78/37/1131997837.db2.gz SYKOVZIONLVIMN-ZJUUUORDSA-N 0 1 280.368 3.703 20 0 CHADMN CCCCc1nc(CN(C)[C@H]2CCc3ccccc32)c[nH]1 ZINC001141074187 1132005628 /nfs/dbraw/zinc/00/56/28/1132005628.db2.gz ACYFPIDIRCGXHH-KRWDZBQOSA-N 0 1 283.419 3.872 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccns2)c2ccccc2n1 ZINC000715990264 1132006920 /nfs/dbraw/zinc/00/69/20/1132006920.db2.gz IZXLTPITCPJRSR-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN C[C@@H](NCc1cccc(C(F)F)c1)c1ccns1 ZINC000716012533 1132008232 /nfs/dbraw/zinc/00/82/32/1132008232.db2.gz BWBGQFGAJUUSDS-SECBINFHSA-N 0 1 268.332 3.932 20 0 CHADMN C/C(=C/C(C)(C)C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000773240071 1132011419 /nfs/dbraw/zinc/01/14/19/1132011419.db2.gz CEUHWTKWGQMHSV-BENRWUELSA-N 0 1 292.398 3.818 20 0 CHADMN CN(C)Cc1ccc(NC(=O)[C@@H]2CCCC2(C)C)cc1F ZINC000773240459 1132011868 /nfs/dbraw/zinc/01/18/68/1132011868.db2.gz GKCMFAOMOXCFNU-AWEZNQCLSA-N 0 1 292.398 3.652 20 0 CHADMN C/C(=C\C(C)(C)C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000773240072 1132012044 /nfs/dbraw/zinc/01/20/44/1132012044.db2.gz CEUHWTKWGQMHSV-ZRDIBKRKSA-N 0 1 292.398 3.818 20 0 CHADMN CC(C)(C)c1cccc(CN2CCOC[C@H]2C2CC2)c1 ZINC001141106273 1132020213 /nfs/dbraw/zinc/02/02/13/1132020213.db2.gz VTNHPVUBPDRRNP-KRWDZBQOSA-N 0 1 273.420 3.595 20 0 CHADMN CCCCCN(Cn1c(=O)oc2ccc(F)cc21)C(C)C ZINC000773295808 1132023222 /nfs/dbraw/zinc/02/32/22/1132023222.db2.gz XRJHVWHCGPPRHX-UHFFFAOYSA-N 0 1 294.370 3.592 20 0 CHADMN Cc1cc([C@@H](C)NCc2[nH]nc(C)c2C)c(C)s1 ZINC000716470364 1132025428 /nfs/dbraw/zinc/02/54/28/1132025428.db2.gz XNPOGRRZVDSLEY-LLVKDONJSA-N 0 1 263.410 3.556 20 0 CHADMN Cc1n[nH]c(CN[C@@H](C)c2ccc(Cl)cc2)c1C ZINC000716469875 1132026088 /nfs/dbraw/zinc/02/60/88/1132026088.db2.gz VJGUVXMKFQYVBB-NSHDSACASA-N 0 1 263.772 3.531 20 0 CHADMN CCCOC1CCN(Cc2ccc(C)cc2F)CC1 ZINC001141194635 1132040342 /nfs/dbraw/zinc/04/03/42/1132040342.db2.gz HCABMASBBBNMFI-UHFFFAOYSA-N 0 1 265.372 3.525 20 0 CHADMN Cc1cc2nccn2cc1NCC1(c2ccccc2)CC1 ZINC001171467010 1132040639 /nfs/dbraw/zinc/04/06/39/1132040639.db2.gz RUDBKOYRRLBPDZ-UHFFFAOYSA-N 0 1 277.371 3.786 20 0 CHADMN COc1ccc(C(F)(F)F)cc1CN1CCC[C@@H]2C[C@@H]21 ZINC001141204263 1132041710 /nfs/dbraw/zinc/04/17/10/1132041710.db2.gz BFMQQAKIDVEWIT-MFKMUULPSA-N 0 1 285.309 3.698 20 0 CHADMN CC(=O)CC(C)(C)Nc1ccc(F)c(CN2CCCC2)c1 ZINC001171502942 1132047383 /nfs/dbraw/zinc/04/73/83/1132047383.db2.gz XORJYZDYSOEJCL-UHFFFAOYSA-N 0 1 292.398 3.591 20 0 CHADMN CN(CCC(C)(C)C)Cc1ccn(-c2cccc(F)c2)n1 ZINC001171521931 1132049643 /nfs/dbraw/zinc/04/96/43/1132049643.db2.gz IYWRFDGPUDVXOW-UHFFFAOYSA-N 0 1 289.398 3.879 20 0 CHADMN CCc1ccccc1CN(C)Cc1ccc(OC)cc1OC ZINC001141227837 1132051080 /nfs/dbraw/zinc/05/10/80/1132051080.db2.gz LUPUUSMTBHTPRE-UHFFFAOYSA-N 0 1 299.414 3.898 20 0 CHADMN C/C(=C\C(=O)Nc1ccc(F)c(F)c1O)C(C)(C)C ZINC000837266376 1132060983 /nfs/dbraw/zinc/06/09/83/1132060983.db2.gz OVWXGJDVQUHXPL-BQYQJAHWSA-N 0 1 269.291 3.601 20 0 CHADMN COC(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000837282015 1132063101 /nfs/dbraw/zinc/06/31/01/1132063101.db2.gz FMNRNTDRDOUMDY-GFCCVEGCSA-N 0 1 293.754 3.510 20 0 CHADMN CC[C@H](C(=O)OC(C)(C)C)N(C)CCC(C)(C)CC ZINC001171670458 1132074212 /nfs/dbraw/zinc/07/42/12/1132074212.db2.gz HBUWKSLRRIBGML-CYBMUJFWSA-N 0 1 271.445 3.865 20 0 CHADMN C[C@@H](C(=O)Nc1n[nH]c2cc(O)ccc21)[C@@H](C)C(C)(C)C ZINC001141302289 1132076402 /nfs/dbraw/zinc/07/64/02/1132076402.db2.gz XNTCGSNSLVVQOR-NXEZZACHSA-N 0 1 289.379 3.525 20 0 CHADMN Cc1nc2c(o1)CCN([C@@H](C)CCc1ccc(C)cc1)C2 ZINC001171681689 1132079160 /nfs/dbraw/zinc/07/91/60/1132079160.db2.gz LHKXESQTYUKACY-AWEZNQCLSA-N 0 1 284.403 3.671 20 0 CHADMN Cc1cc(CN2CCCCC2)ccc1Br ZINC000258147756 1132116344 /nfs/dbraw/zinc/11/63/44/1132116344.db2.gz PDZQESCSGHJGTD-UHFFFAOYSA-N 0 1 268.198 3.743 20 0 CHADMN COc1nscc1CN1CCC2(CCCCC2)CC1 ZINC001171834380 1132104903 /nfs/dbraw/zinc/10/49/03/1132104903.db2.gz OFRIJFRHARLSHT-UHFFFAOYSA-N 0 1 280.437 3.698 20 0 CHADMN CCCCC[C@@H](CC)C(=O)NCc1ccc2cncn2c1 ZINC000837857183 1132105175 /nfs/dbraw/zinc/10/51/75/1132105175.db2.gz QWPJPOZIRCUWQD-OAHLLOKOSA-N 0 1 287.407 3.557 20 0 CHADMN CCCCCC[C@H](C)C(=O)NCc1ccc2cncn2c1 ZINC000837859690 1132105384 /nfs/dbraw/zinc/10/53/84/1132105384.db2.gz WOTBNXXLIBFBEV-AWEZNQCLSA-N 0 1 287.407 3.557 20 0 CHADMN Fc1cccc2c1C[C@H](N1Cc3ccc(Cl)cc3C1)C2 ZINC001171808434 1132105589 /nfs/dbraw/zinc/10/55/89/1132105589.db2.gz YUEQUVXRBJOVHF-OAHLLOKOSA-N 0 1 287.765 3.962 20 0 CHADMN c1cc(-c2cccc(CN3C[C@H]4CC[C@@H](C3)O4)c2)cs1 ZINC001141377494 1132106331 /nfs/dbraw/zinc/10/63/31/1132106331.db2.gz QSGLHPODZVQHGT-CALCHBBNSA-N 0 1 285.412 3.778 20 0 CHADMN Cc1cc(=O)[n-]c([C@@H](C)[N@@H+]2CCC(C)(C)CC(C)(C)C2)n1 ZINC001171882142 1132107505 /nfs/dbraw/zinc/10/75/05/1132107505.db2.gz JBUJKTMJPHRVSZ-CYBMUJFWSA-N 0 1 291.439 3.700 20 0 CHADMN Cc1cc(=O)[n-]c([C@@H](C)[N@H+]2CCC(C)(C)CC(C)(C)C2)n1 ZINC001171882142 1132107513 /nfs/dbraw/zinc/10/75/13/1132107513.db2.gz JBUJKTMJPHRVSZ-CYBMUJFWSA-N 0 1 291.439 3.700 20 0 CHADMN COc1ccc2nc(O[C@H](C(C)C)C(F)(F)F)[nH]c2c1 ZINC001229729246 1132111253 /nfs/dbraw/zinc/11/12/53/1132111253.db2.gz IUADBEAAAYERER-LLVKDONJSA-N 0 1 288.269 3.537 20 0 CHADMN COc1ccc(CN2CCC[C@H](C)[C@H]2C)c(OC)c1Cl ZINC001248799180 1132115544 /nfs/dbraw/zinc/11/55/44/1132115544.db2.gz SPSXFWPWJDPUNO-NWDGAFQWSA-N 0 1 297.826 3.978 20 0 CHADMN COc1ccc(CN2CCCCCC2)c(Br)c1 ZINC000258183292 1132122002 /nfs/dbraw/zinc/12/20/02/1132122002.db2.gz SSTQKVHIZYIOJV-UHFFFAOYSA-N 0 1 298.224 3.834 20 0 CHADMN CN(C)Cc1cc(F)ccc1O[C@H]1CCc2ccccc21 ZINC001229853322 1132125671 /nfs/dbraw/zinc/12/56/71/1132125671.db2.gz GRGCLFUDTDGWLV-SFHVURJKSA-N 0 1 285.362 3.954 20 0 CHADMN CC(C)c1cc(CN[C@@H]2CSc3ccccc3C2)on1 ZINC001172187597 1132137420 /nfs/dbraw/zinc/13/74/20/1132137420.db2.gz NNAUKFZIZQJICZ-ZDUSSCGKSA-N 0 1 288.416 3.605 20 0 CHADMN C[C@H](N[C@@H]1CSc2ccccc2C1)c1nccs1 ZINC001172188756 1132137622 /nfs/dbraw/zinc/13/76/22/1132137622.db2.gz WFSYCNNLUSJGAE-JQWIXIFHSA-N 0 1 276.430 3.511 20 0 CHADMN CCCc1cc(F)c(O[C@H]2CC[N@H+](C(C)C)C2)c(F)c1 ZINC001229965486 1132138315 /nfs/dbraw/zinc/13/83/15/1132138315.db2.gz SIMAYGMVSYVDRF-ZDUSSCGKSA-N 0 1 283.362 3.779 20 0 CHADMN CCCc1cc(F)c(O[C@H]2CCN(C(C)C)C2)c(F)c1 ZINC001229965486 1132138322 /nfs/dbraw/zinc/13/83/22/1132138322.db2.gz SIMAYGMVSYVDRF-ZDUSSCGKSA-N 0 1 283.362 3.779 20 0 CHADMN FC(F)(F)c1ccc(CN2CCC3(CCCC3)CC2)nn1 ZINC001141487911 1132140805 /nfs/dbraw/zinc/14/08/05/1132140805.db2.gz BYIOCPVUWWCKCA-UHFFFAOYSA-N 0 1 299.340 3.652 20 0 CHADMN c1ccc2oc(CN[C@@H]3CSc4ccccc4C3)nc2c1 ZINC001172194624 1132147112 /nfs/dbraw/zinc/14/71/12/1132147112.db2.gz UNAYLHLZEPVSBJ-ZDUSSCGKSA-N 0 1 296.395 3.634 20 0 CHADMN CCN(Cc1c(F)cccc1Cl)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172245134 1132151669 /nfs/dbraw/zinc/15/16/69/1132151669.db2.gz WQNAYNQQSRBIDO-YHWZYXNKSA-N 0 1 295.785 3.787 20 0 CHADMN CCN1CCC[C@@H](Oc2cc3ccccc3cc2C(C)=O)C1 ZINC001230067424 1132152813 /nfs/dbraw/zinc/15/28/13/1132152813.db2.gz SNHMJEFEIHYBBS-QGZVFWFLSA-N 0 1 297.398 3.906 20 0 CHADMN Cc1ccc(CN(C)C[C@@H]2CC=CCC2)c(Cl)n1 ZINC000838929212 1132159148 /nfs/dbraw/zinc/15/91/48/1132159148.db2.gz FAARNPVULBNCNB-CYBMUJFWSA-N 0 1 264.800 3.832 20 0 CHADMN CC(C)c1ccc(C(C)(C)NCc2cnccn2)cc1 ZINC000838933489 1132160351 /nfs/dbraw/zinc/16/03/51/1132160351.db2.gz INEOCQQMFJFDNV-UHFFFAOYSA-N 0 1 269.392 3.625 20 0 CHADMN CC[C@H](C)OCC[C@H](C)NCc1c(F)cc(F)cc1F ZINC001172323632 1132160701 /nfs/dbraw/zinc/16/07/01/1132160701.db2.gz COSVGDSCSKPKJB-QWRGUYRKSA-N 0 1 289.341 3.787 20 0 CHADMN Cc1cc2[nH]ncc2cc1OC[C@H](C)Oc1ccccc1 ZINC001230225066 1132161702 /nfs/dbraw/zinc/16/17/02/1132161702.db2.gz GVIFUENRYYIDSK-ZDUSSCGKSA-N 0 1 282.343 3.718 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@@H]1CCc2c1nccc2Cl ZINC001230223975 1132161759 /nfs/dbraw/zinc/16/17/59/1132161759.db2.gz XQXPQMRQCVJCRF-CQSZACIVSA-N 0 1 299.761 3.986 20 0 CHADMN Cc1cc2[nH]ncc2cc1O[C@@H](C)c1cnc2ccccn21 ZINC001230223054 1132161826 /nfs/dbraw/zinc/16/18/26/1132161826.db2.gz KUHUNULAUKFZNI-LBPRGKRZSA-N 0 1 292.342 3.659 20 0 CHADMN Cc1cc2[nH]ncc2cc1OC[C@H](C)OCc1ccccc1 ZINC001230225616 1132163116 /nfs/dbraw/zinc/16/31/16/1132163116.db2.gz WDWPNNXTKULCJW-AWEZNQCLSA-N 0 1 296.370 3.855 20 0 CHADMN CC1(C)C[C@H](N2CCC[C@@H]2c2ccc(F)cc2F)CO1 ZINC001172293885 1132166083 /nfs/dbraw/zinc/16/60/83/1132166083.db2.gz TYYVUEXIYINDRO-SWLSCSKDSA-N 0 1 281.346 3.669 20 0 CHADMN CCCCCC[C@H](CCC)NCc1ncc(F)cn1 ZINC001172377354 1132169666 /nfs/dbraw/zinc/16/96/66/1132169666.db2.gz AAWHQIPZZGWQEG-AWEZNQCLSA-N 0 1 267.392 3.844 20 0 CHADMN CC[C@@H](C)OCC[C@H](C)N1CCc2ncc(Cl)cc2C1 ZINC001172348756 1132181922 /nfs/dbraw/zinc/18/19/22/1132181922.db2.gz QXLXVXFYUJNBGB-QWHCGFSZSA-N 0 1 296.842 3.687 20 0 CHADMN c1nc(C[N@@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)c[nH]1 ZINC000839185233 1132188291 /nfs/dbraw/zinc/18/82/91/1132188291.db2.gz XZXROQOWDLCPSH-QGZVFWFLSA-N 0 1 281.403 3.917 20 0 CHADMN Clc1ccc2c(c1)CN(CCc1cccs1)C2 ZINC000839194290 1132190432 /nfs/dbraw/zinc/19/04/32/1132190432.db2.gz KBUQITHUPSLBLL-UHFFFAOYSA-N 0 1 263.793 3.960 20 0 CHADMN CCCCCCNC(=O)CN1CCC[C@@H]1c1ccccc1 ZINC000839271539 1132195553 /nfs/dbraw/zinc/19/55/53/1132195553.db2.gz OZVXZCDORHURBS-QGZVFWFLSA-N 0 1 288.435 3.520 20 0 CHADMN CC(C)OCC[C@H](C)n1c2cc(Cl)ccc2nc1CN ZINC001172433327 1132206599 /nfs/dbraw/zinc/20/65/99/1132206599.db2.gz HNZWHHIFTLBFQD-NSHDSACASA-N 0 1 295.814 3.525 20 0 CHADMN C[C@H](Oc1nncc2n[nH]cc21)c1cccc2ccccc21 ZINC001230895775 1132224823 /nfs/dbraw/zinc/22/48/23/1132224823.db2.gz KQUFZXFJHITFKY-NSHDSACASA-N 0 1 290.326 3.646 20 0 CHADMN Cc1nonc1CN(C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000839649773 1132228582 /nfs/dbraw/zinc/22/85/82/1132228582.db2.gz HWEIJMIIMBSMDE-DOTOQJQBSA-N 0 1 285.391 3.536 20 0 CHADMN CC(C)COCC[C@H](C)N1CCc2ncc(Cl)cc2C1 ZINC001172485532 1132230481 /nfs/dbraw/zinc/23/04/81/1132230481.db2.gz WTXPNONHIGLDEF-ZDUSSCGKSA-N 0 1 296.842 3.544 20 0 CHADMN Fc1cc(O[C@H]2CCc3ccccc3C2)cc2[nH]ncc21 ZINC001230931012 1132231164 /nfs/dbraw/zinc/23/11/64/1132231164.db2.gz KULKBSNQKMSNFI-ZDUSSCGKSA-N 0 1 282.318 3.638 20 0 CHADMN CC(C)OCC[C@@H](C)N(CC(=O)c1ccccc1)C(C)C ZINC001172457388 1132240843 /nfs/dbraw/zinc/24/08/43/1132240843.db2.gz TWECXNLBUFESAD-MRXNPFEDSA-N 0 1 291.435 3.783 20 0 CHADMN CC(C)COCC[C@@H](C)NCc1c(F)cc(F)cc1F ZINC001172462210 1132243111 /nfs/dbraw/zinc/24/31/11/1132243111.db2.gz NHBFHUZESCIRRN-LLVKDONJSA-N 0 1 289.341 3.645 20 0 CHADMN CC[C@@H]1CCCN1CN1C(=O)C2(CCC2)[C@H]1c1ccccc1 ZINC000839988377 1132243624 /nfs/dbraw/zinc/24/36/24/1132243624.db2.gz NPPQMNAFZHAPNA-IAGOWNOFSA-N 0 1 298.430 3.572 20 0 CHADMN C[C@H](Oc1nc2cc(Cl)nc(Cl)c2[nH]1)C1CCC1 ZINC001231044694 1132246470 /nfs/dbraw/zinc/24/64/70/1132246470.db2.gz NVZZXNFNHNYGBV-LURJTMIESA-N 0 1 286.162 3.832 20 0 CHADMN CC[C@@H](C)CC[C@@H](C)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047353 1132247500 /nfs/dbraw/zinc/24/75/00/1132247500.db2.gz QDHOOZWEWQWSSB-RKDXNWHRSA-N 0 1 282.775 3.600 20 0 CHADMN CCC[C@@H](C)[C@H](CC)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231048667 1132247733 /nfs/dbraw/zinc/24/77/33/1132247733.db2.gz QZDQGTAUTZDQAC-SCZZXKLOSA-N 0 1 282.775 3.600 20 0 CHADMN Cc1nc([C@@H](C)S[C@@H](C)c2cccs2)n[nH]1 ZINC000840196373 1132249238 /nfs/dbraw/zinc/24/92/38/1132249238.db2.gz KXJHXLWTTMFYCE-JGVFFNPUSA-N 0 1 253.396 3.730 20 0 CHADMN Cc1c(Cl)cnc(O[C@H]2CCN(C(C)C)C2)c1Cl ZINC001231069251 1132251784 /nfs/dbraw/zinc/25/17/84/1132251784.db2.gz ZZVYSCGHRCUCQD-JTQLQIEISA-N 0 1 289.206 3.558 20 0 CHADMN CC[C@@H](C(=O)Nc1ccc(-c2ccccc2)cc1C)N(C)C ZINC000840260346 1132255128 /nfs/dbraw/zinc/25/51/28/1132255128.db2.gz GXNDIONGGOPVSU-SFHVURJKSA-N 0 1 296.414 3.941 20 0 CHADMN Cc1ccc(CN(C)Cc2coc3ccc(F)cc23)cn1 ZINC001141856531 1132257659 /nfs/dbraw/zinc/25/76/59/1132257659.db2.gz IBKBCFCIYLOYNT-UHFFFAOYSA-N 0 1 284.334 3.907 20 0 CHADMN Clc1ccnc(CN[C@@H]2CC[C@@H](c3ccccc3)C2)n1 ZINC001172559028 1132267571 /nfs/dbraw/zinc/26/75/71/1132267571.db2.gz JPCWSISMLHNVDK-ZIAGYGMSSA-N 0 1 287.794 3.556 20 0 CHADMN CC[C@@H](C)N(C)Cc1cc(F)c(Br)cc1F ZINC001141912044 1132267841 /nfs/dbraw/zinc/26/78/41/1132267841.db2.gz JRMLCTAIVNAHGX-MRVPVSSYSA-N 0 1 292.167 3.958 20 0 CHADMN CCCCOC1CN([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172563668 1132270001 /nfs/dbraw/zinc/27/00/01/1132270001.db2.gz MIGMBOBUZYUWQI-SJORKVTESA-N 0 1 273.420 3.824 20 0 CHADMN CSc1ccccc1NC(=S)NC1(C)CCC1 ZINC000840703819 1132271781 /nfs/dbraw/zinc/27/17/81/1132271781.db2.gz NMVXTMULUCMGJK-UHFFFAOYSA-N 0 1 266.435 3.638 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1ncc(F)cn1 ZINC001172539796 1132276413 /nfs/dbraw/zinc/27/64/13/1132276413.db2.gz JNBNDAXXKINNCK-FRFSOERESA-N 0 1 299.393 3.993 20 0 CHADMN Cc1onc(-c2ccccc2)c1CN1C[C@@H](C)C[C@H]1CF ZINC001141979442 1132284300 /nfs/dbraw/zinc/28/43/00/1132284300.db2.gz TZZMDQPJTIQBAN-WFASDCNBSA-N 0 1 288.366 3.830 20 0 CHADMN O=C1CCCN(Cc2ccc(-c3cccs3)cc2)CC1 ZINC001231429468 1132293517 /nfs/dbraw/zinc/29/35/17/1132293517.db2.gz RXAHFDHBSKQBMS-UHFFFAOYSA-N 0 1 285.412 3.970 20 0 CHADMN CN(C)c1ccc2cc(CN3C[C@@H]4C[C@@H]4[C@@H](F)C3)ccc2c1 ZINC001231439125 1132294005 /nfs/dbraw/zinc/29/40/05/1132294005.db2.gz JZDWRNCBNXYUQP-WDSOQIARSA-N 0 1 298.405 3.696 20 0 CHADMN Oc1cccc2c1CCN([C@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172718423 1132294492 /nfs/dbraw/zinc/29/44/92/1132294492.db2.gz IIKQCTPXBAWDHB-INIZCTEOSA-N 0 1 299.801 3.571 20 0 CHADMN CCCCN(C)Cc1c(C(F)(F)F)nc2sccn12 ZINC001231432280 1132294637 /nfs/dbraw/zinc/29/46/37/1132294637.db2.gz PYLLCYQUNONHTE-UHFFFAOYSA-N 0 1 291.342 3.647 20 0 CHADMN c1csc(-c2ccc(CN3CCCC34COC4)cc2)c1 ZINC001231432927 1132294663 /nfs/dbraw/zinc/29/46/63/1132294663.db2.gz UMJFSIUTYUJCLP-UHFFFAOYSA-N 0 1 285.412 3.780 20 0 CHADMN C[C@H]1CN(Cc2ccc3cc(N(C)C)ccc3c2)C[C@H](C)O1 ZINC001231436445 1132294678 /nfs/dbraw/zinc/29/46/78/1132294678.db2.gz JSGHJSZCRWJLIL-GJZGRUSLSA-N 0 1 298.430 3.515 20 0 CHADMN FC1(F)CC2(CN([C@H]3Cc4ccc(Cl)cc4C3)C2)C1 ZINC001172719565 1132295597 /nfs/dbraw/zinc/29/55/97/1132295597.db2.gz QZLZRUJEQKRNGF-ZDUSSCGKSA-N 0 1 283.749 3.538 20 0 CHADMN CSc1ccc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)s1 ZINC001142020601 1132297214 /nfs/dbraw/zinc/29/72/14/1132297214.db2.gz LXDFTEGLRBRGBN-SCZZXKLOSA-N 0 1 275.389 3.557 20 0 CHADMN Cc1c(F)ccc(CN2CCC[C@@](C)(F)CC2)c1F ZINC001231476299 1132297361 /nfs/dbraw/zinc/29/73/61/1132297361.db2.gz OVUPABHLDOXNBG-OAHLLOKOSA-N 0 1 271.326 3.987 20 0 CHADMN Cc1cc(C)c(CN2CCC(=O)[C@H]3CCCC[C@@H]32)cc1C ZINC001231482722 1132297956 /nfs/dbraw/zinc/29/79/56/1132297956.db2.gz PTBRIAKCWSZCCI-ROUUACIJSA-N 0 1 285.431 3.945 20 0 CHADMN CCCCCN1CCN(Cc2ccc(SC)s2)CC1 ZINC001142025705 1132299126 /nfs/dbraw/zinc/29/91/26/1132299126.db2.gz IFULMABPQVOEQE-UHFFFAOYSA-N 0 1 298.521 3.778 20 0 CHADMN C(=C/c1ccc(CN2CC3(COC3)C2)cc1)\c1ccccc1 ZINC001231485073 1132300321 /nfs/dbraw/zinc/30/03/21/1132300321.db2.gz CYSMMTMPCCJSDF-VOTSOKGWSA-N 0 1 291.394 3.689 20 0 CHADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1cnn(-c2ccccc2)c1 ZINC000840876168 1132300925 /nfs/dbraw/zinc/30/09/25/1132300925.db2.gz NCQYIYAYWSUCAW-KBRIMQKVSA-N 0 1 287.382 3.804 20 0 CHADMN Cc1cc(C)c(CN2CCn3cccc3[C@@H]2C)cc1C ZINC001231485914 1132301418 /nfs/dbraw/zinc/30/14/18/1132301418.db2.gz PALVUUMIQIAXPY-INIZCTEOSA-N 0 1 268.404 3.990 20 0 CHADMN CC(C)(CNc1nccn1C1CC1)c1ccccc1 ZINC000840886680 1132301648 /nfs/dbraw/zinc/30/16/48/1132301648.db2.gz LZPNKWDGTUQWDH-UHFFFAOYSA-N 0 1 255.365 3.608 20 0 CHADMN CC1(CO)CN(Cc2ccc(/C=C/c3ccccc3)cc2)C1 ZINC001231487267 1132302038 /nfs/dbraw/zinc/30/20/38/1132302038.db2.gz WZTRQCGVRREBGW-BQYQJAHWSA-N 0 1 293.410 3.671 20 0 CHADMN CCN(Cc1c[nH]c2cccnc12)Cc1ccccc1F ZINC001231491150 1132304269 /nfs/dbraw/zinc/30/42/69/1132304269.db2.gz GPLCMEXNWGXRAD-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN CCc1ccc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)s1 ZINC001231499944 1132304780 /nfs/dbraw/zinc/30/47/80/1132304780.db2.gz ORHQJIRSIYFOTG-GFCCVEGCSA-N 0 1 277.355 3.880 20 0 CHADMN CCCCCC[C@H](C)NCc1nnc(C2CC2)s1 ZINC000840891489 1132305173 /nfs/dbraw/zinc/30/51/73/1132305173.db2.gz PNBKLPYBVMHMNV-NSHDSACASA-N 0 1 267.442 3.864 20 0 CHADMN Cc1c(C)c(C)c(CN2CCc3cnn(C)c3C2)c(C)c1C ZINC001231493999 1132305214 /nfs/dbraw/zinc/30/52/14/1132305214.db2.gz GIAWNDCVTTVCLO-UHFFFAOYSA-N 0 1 297.446 3.521 20 0 CHADMN CC[C@@H]1CCCN1Cc1ccc(Br)cc1OC ZINC001231513453 1132310132 /nfs/dbraw/zinc/31/01/32/1132310132.db2.gz FIFWPXVNMTUCOL-CYBMUJFWSA-N 0 1 298.224 3.832 20 0 CHADMN CC(=O)c1ccccc1Nc1ccc2[nH]c(C)nc2c1 ZINC001213074192 1132310155 /nfs/dbraw/zinc/31/01/55/1132310155.db2.gz INDHTFIKVBRHOE-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN c1ccc(-c2cccc(CN3C[C@H]4CC[C@@H](C3)O4)c2)cc1 ZINC001231509168 1132310441 /nfs/dbraw/zinc/31/04/41/1132310441.db2.gz UOCFOERXKHCFDW-KDURUIRLSA-N 0 1 279.383 3.717 20 0 CHADMN Clc1cccc2c1CCN(Cc1c[nH]c3cnccc13)C2 ZINC001231521378 1132312785 /nfs/dbraw/zinc/31/27/85/1132312785.db2.gz JQBCDWXEMZYYBP-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN C[N@@H+](Cc1ccc([O-])c(C(F)(F)F)c1)C[C@@H]1CC1(C)C ZINC001231523500 1132313913 /nfs/dbraw/zinc/31/39/13/1132313913.db2.gz YPZIONJQCBXHIS-NSHDSACASA-N 0 1 287.325 3.889 20 0 CHADMN C[N@H+](Cc1ccc([O-])c(C(F)(F)F)c1)C[C@@H]1CC1(C)C ZINC001231523500 1132313917 /nfs/dbraw/zinc/31/39/17/1132313917.db2.gz YPZIONJQCBXHIS-NSHDSACASA-N 0 1 287.325 3.889 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(OC(C)C)nc2)cc1 ZINC001231533096 1132314570 /nfs/dbraw/zinc/31/45/70/1132314570.db2.gz KCNVQEAPWNOYRO-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN Cc1nc2cc(Nc3c(O)cccc3Cl)ccc2[nH]1 ZINC001213074272 1132314931 /nfs/dbraw/zinc/31/49/31/1132314931.db2.gz MQANIQJBYUTQGF-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1nc2cc(Nc3cccc4cnn(C)c43)ccc2[nH]1 ZINC001213074331 1132316240 /nfs/dbraw/zinc/31/62/40/1132316240.db2.gz OXPGEQHINHXCLN-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN CC(C)Oc1ccc(CN2Cc3ccccc3C[C@H]2C)cn1 ZINC001231538354 1132316422 /nfs/dbraw/zinc/31/64/22/1132316422.db2.gz ICVKGPXQBYPPTC-OAHLLOKOSA-N 0 1 296.414 3.816 20 0 CHADMN c1cc2n(n1)CCN(C1CCC(Cc3ccccc3)CC1)C2 ZINC001172825522 1132321561 /nfs/dbraw/zinc/32/15/61/1132321561.db2.gz WLVUQAAPOCCDNN-UHFFFAOYSA-N 0 1 295.430 3.500 20 0 CHADMN COc1cc(F)ccc1C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001231604825 1132327263 /nfs/dbraw/zinc/32/72/63/1132327263.db2.gz GOCRPBPMVNETTR-QGZVFWFLSA-N 0 1 285.362 3.954 20 0 CHADMN COc1cc(F)ccc1CN(C)[C@@H]1CCc2ccccc21 ZINC001231604825 1132327274 /nfs/dbraw/zinc/32/72/74/1132327274.db2.gz GOCRPBPMVNETTR-QGZVFWFLSA-N 0 1 285.362 3.954 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c(Cl)n1 ZINC001142125325 1132330521 /nfs/dbraw/zinc/33/05/21/1132330521.db2.gz PLBFARJYMZPKPI-QWHCGFSZSA-N 0 1 264.800 3.665 20 0 CHADMN Cc1ccc(CN(C)CCc2ccc(F)cc2)c(Cl)n1 ZINC001142140022 1132331909 /nfs/dbraw/zinc/33/19/09/1132331909.db2.gz GDWXCQVTMLREBF-UHFFFAOYSA-N 0 1 292.785 3.857 20 0 CHADMN CCc1ccc(CN2CCCc3ccc(OC)cc3C2)nc1 ZINC001231647600 1132334691 /nfs/dbraw/zinc/33/46/91/1132334691.db2.gz ZHJMAOBFUIFWRK-UHFFFAOYSA-N 0 1 296.414 3.601 20 0 CHADMN CCOc1ccc(CN2CCc3ccccc3[C@@H]2C)cn1 ZINC001231649245 1132335369 /nfs/dbraw/zinc/33/53/69/1132335369.db2.gz JLRIWXQOEQFRRD-AWEZNQCLSA-N 0 1 282.387 3.600 20 0 CHADMN Cc1sc2ccccc2c1CN1CCc2c(cnn2C)C1 ZINC001231649897 1132336917 /nfs/dbraw/zinc/33/69/17/1132336917.db2.gz SQUQSSDHKJPTEA-UHFFFAOYSA-N 0 1 297.427 3.502 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001142188578 1132338285 /nfs/dbraw/zinc/33/82/85/1132338285.db2.gz YVGYYFITTMYXQH-IUODEOHRSA-N 0 1 293.382 3.574 20 0 CHADMN CCC1(O)CCN([C@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172856071 1132341478 /nfs/dbraw/zinc/34/14/78/1132341478.db2.gz HYUNHTHRJANZBM-GFCCVEGCSA-N 0 1 299.817 3.647 20 0 CHADMN C[C@H]1CC[N@H+]1Cc1ccccc1-c1ccccc1C(=O)[O-] ZINC001231675415 1132343924 /nfs/dbraw/zinc/34/39/24/1132343924.db2.gz JIVIWWMLACIKHV-ZDUSSCGKSA-N 0 1 281.355 3.646 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(Cl)c([O-])c1)CC1CC1 ZINC001231733617 1132348877 /nfs/dbraw/zinc/34/88/77/1132348877.db2.gz BBNJQTSLHBWLGI-UHFFFAOYSA-N 0 1 253.773 3.666 20 0 CHADMN CC(C)[N@H+](Cc1ccc(Cl)c([O-])c1)CC1CC1 ZINC001231733617 1132348885 /nfs/dbraw/zinc/34/88/85/1132348885.db2.gz BBNJQTSLHBWLGI-UHFFFAOYSA-N 0 1 253.773 3.666 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]1Cc1ccc(Cl)c(O)c1 ZINC001231734612 1132351276 /nfs/dbraw/zinc/35/12/76/1132351276.db2.gz CIDQEOZRFCMGEL-CYBMUJFWSA-N 0 1 253.773 3.666 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c([O-])c1 ZINC001231734612 1132351284 /nfs/dbraw/zinc/35/12/84/1132351284.db2.gz CIDQEOZRFCMGEL-CYBMUJFWSA-N 0 1 253.773 3.666 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]1Cc1ccc(Cl)c([O-])c1 ZINC001231734612 1132351292 /nfs/dbraw/zinc/35/12/92/1132351292.db2.gz CIDQEOZRFCMGEL-CYBMUJFWSA-N 0 1 253.773 3.666 20 0 CHADMN CCOc1ncccc1CN(Cc1ccccc1)C(C)C ZINC001231760716 1132353595 /nfs/dbraw/zinc/35/35/95/1132353595.db2.gz NGTSNPPOASYRKH-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN Cc1ccc(CCN(C)Cc2cccnc2OC(C)C)cc1 ZINC001231758824 1132353986 /nfs/dbraw/zinc/35/39/86/1132353986.db2.gz FJEPGMUPNPCZCC-UHFFFAOYSA-N 0 1 298.430 3.852 20 0 CHADMN CCCCc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1 ZINC001231779640 1132356636 /nfs/dbraw/zinc/35/66/36/1132356636.db2.gz DVZYVHHVWAHAJF-ULQDDVLXSA-N 0 1 261.384 3.819 20 0 CHADMN CCCCc1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1 ZINC001231779640 1132356645 /nfs/dbraw/zinc/35/66/45/1132356645.db2.gz DVZYVHHVWAHAJF-ULQDDVLXSA-N 0 1 261.384 3.819 20 0 CHADMN C[C@@]1(F)CCCCN(Cc2ccc3c(c2)OCCCO3)C1 ZINC001142251079 1132357163 /nfs/dbraw/zinc/35/71/63/1132357163.db2.gz MWULFCSECYHOFR-QGZVFWFLSA-N 0 1 293.382 3.562 20 0 CHADMN CCOc1ncccc1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001231767828 1132357233 /nfs/dbraw/zinc/35/72/33/1132357233.db2.gz FNRURBPRRPVTFE-UHFFFAOYSA-N 0 1 292.398 3.585 20 0 CHADMN CC[C@@H]1COCCN1[C@H](C)CSc1ccc(Cl)cc1 ZINC001172882549 1132357558 /nfs/dbraw/zinc/35/75/58/1132357558.db2.gz QQKYSUIOVDDTJE-TZMCWYRMSA-N 0 1 299.867 3.931 20 0 CHADMN CCOc1ncccc1CN1CCC[C@@H]1c1ccccc1 ZINC001231764839 1132358390 /nfs/dbraw/zinc/35/83/90/1132358390.db2.gz LXXFISNALCTCHG-QGZVFWFLSA-N 0 1 282.387 3.817 20 0 CHADMN CSc1ccccc1CN1CCC[C@@H]1c1cnccn1 ZINC001231784703 1132358734 /nfs/dbraw/zinc/35/87/34/1132358734.db2.gz AIEMIKROFDAFMJ-OAHLLOKOSA-N 0 1 285.416 3.536 20 0 CHADMN COc1ccc2c(c1)CN(Cc1ccccc1SC)CC2 ZINC001231783347 1132358941 /nfs/dbraw/zinc/35/89/41/1132358941.db2.gz DYVGCSAKKIXIIK-UHFFFAOYSA-N 0 1 299.439 3.975 20 0 CHADMN C[C@H](NC(=O)c1cccc2nc[nH]c21)[C@@H]1CCC[C@H](C)C1 ZINC001142302430 1132363242 /nfs/dbraw/zinc/36/32/42/1132363242.db2.gz XOCAKCXNDVBMBL-RWMBFGLXSA-N 0 1 285.391 3.508 20 0 CHADMN Cc1ncc(CN(C)Cc2ccc(CC(C)C)cc2)cn1 ZINC001231790330 1132364118 /nfs/dbraw/zinc/36/41/18/1132364118.db2.gz SIIKQRSJAKPRBW-UHFFFAOYSA-N 0 1 283.419 3.616 20 0 CHADMN CC(=O)C1CCN(Cc2ccc(OC(C)(C)C)cc2)CC1 ZINC001231804468 1132365151 /nfs/dbraw/zinc/36/51/51/1132365151.db2.gz DCSRSSMRSRZWSB-UHFFFAOYSA-N 0 1 289.419 3.665 20 0 CHADMN Cc1ccc(-c2ccc(CN3C[C@@H]4C[C@H]3CO4)cc2)cc1 ZINC001142305900 1132365565 /nfs/dbraw/zinc/36/55/65/1132365565.db2.gz QIFXTUHHCVNOMS-OALUTQOASA-N 0 1 279.383 3.635 20 0 CHADMN CN(Cc1ccc(OC(C)(C)C)cc1)Cc1cccnc1 ZINC001231803739 1132366588 /nfs/dbraw/zinc/36/65/88/1132366588.db2.gz DSMRTZCTSYMAGR-UHFFFAOYSA-N 0 1 284.403 3.891 20 0 CHADMN C[C@@]1(O)CCN(Cc2ccccc2-c2ccccc2)C[C@@H]1F ZINC001142331242 1132371406 /nfs/dbraw/zinc/37/14/06/1132371406.db2.gz PBHSWEBKDCZBGI-RBUKOAKNSA-N 0 1 299.389 3.648 20 0 CHADMN CO[C@H]1CCC[C@H](N2CCc3c4ccccc4oc3C2)C1 ZINC001172949378 1132374771 /nfs/dbraw/zinc/37/47/71/1132374771.db2.gz JRHSDHRUSTWILS-KBPBESRZSA-N 0 1 285.387 3.749 20 0 CHADMN Cc1ccc2ccccc2c1CN1CC(OC(C)C)C1 ZINC001142383749 1132379396 /nfs/dbraw/zinc/37/93/96/1132379396.db2.gz POCPPGKOPBXIOF-UHFFFAOYSA-N 0 1 269.388 3.757 20 0 CHADMN CCCOc1ncccc1CN1CC[C@@H](C)C(F)(F)CC1 ZINC001231858862 1132381653 /nfs/dbraw/zinc/38/16/53/1132381653.db2.gz PDSWLBMIDQGSNZ-CYBMUJFWSA-N 0 1 298.377 3.738 20 0 CHADMN CCCN(C)C(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1 ZINC001142439987 1132392301 /nfs/dbraw/zinc/39/23/01/1132392301.db2.gz AHXQLTUMCZXAOW-UHFFFAOYSA-N 0 1 293.370 3.712 20 0 CHADMN COc1cccc2c(CN3CCC[C@@](C)(F)C3)c[nH]c21 ZINC001231895986 1132395527 /nfs/dbraw/zinc/39/55/27/1132395527.db2.gz RPBCZARAZUSEDC-MRXNPFEDSA-N 0 1 276.355 3.501 20 0 CHADMN C(NC1CCC2(CCCCC2)CC1)c1nc(C2CC2)no1 ZINC001173116699 1132396907 /nfs/dbraw/zinc/39/69/07/1132396907.db2.gz VSQKEULZRHXBFK-UHFFFAOYSA-N 0 1 289.423 3.930 20 0 CHADMN CN(Cc1ncc(Cl)n1C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000841892152 1132401515 /nfs/dbraw/zinc/40/15/15/1132401515.db2.gz SZXJDQSMIMAHAJ-NEPJUHHUSA-N 0 1 283.847 3.720 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)cc(C)n1 ZINC001232000396 1132406598 /nfs/dbraw/zinc/40/65/98/1132406598.db2.gz KURZPQBJMIYMNE-IBGZPJMESA-N 0 1 296.414 3.742 20 0 CHADMN CN(Cc1cc(Cl)cnc1F)CC1CCCCC1 ZINC001231994724 1132407800 /nfs/dbraw/zinc/40/78/00/1132407800.db2.gz HYYOLEURDBUZQM-UHFFFAOYSA-N 0 1 270.779 3.886 20 0 CHADMN COc1cccc2[nH]cc(CN(C)Cc3ccccc3F)c21 ZINC001232034908 1132413077 /nfs/dbraw/zinc/41/30/77/1132413077.db2.gz AKYXNBXHZPFGNY-UHFFFAOYSA-N 0 1 298.361 3.948 20 0 CHADMN Oc1cncc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)c1 ZINC001232045708 1132413727 /nfs/dbraw/zinc/41/37/27/1132413727.db2.gz YZKXYHOXVCTVKK-QGZVFWFLSA-N 0 1 282.387 3.557 20 0 CHADMN Cc1cc(Br)cnc1CN1C[C@H](C)C[C@@H](C)C1 ZINC001232049963 1132415283 /nfs/dbraw/zinc/41/52/83/1132415283.db2.gz LIMCBTSPVKVGBJ-GHMZBOCLSA-N 0 1 297.240 3.630 20 0 CHADMN CC(C)[C@@H]1CCCN1Cc1c(Cl)n(C)nc1C(F)F ZINC001232056769 1132415965 /nfs/dbraw/zinc/41/59/65/1132415965.db2.gz WDXQBRSBCGWPKM-JTQLQIEISA-N 0 1 291.773 3.632 20 0 CHADMN c1c(CN2CC[C@@H]2c2ccccc2)[nH]c2cccnc12 ZINC001232064335 1132416313 /nfs/dbraw/zinc/41/63/13/1132416313.db2.gz FZKVAQCJYJDLOG-QGZVFWFLSA-N 0 1 263.344 3.510 20 0 CHADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142657315 1132417799 /nfs/dbraw/zinc/41/77/99/1132417799.db2.gz VNRMCZKNDZMRBR-WDEREUQCSA-N 0 1 281.783 3.659 20 0 CHADMN CCN(Cc1ccc(F)cc1)Cc1ccc(C)nc1C ZINC001232083554 1132421029 /nfs/dbraw/zinc/42/10/29/1132421029.db2.gz ANIBKULXSHDZAM-UHFFFAOYSA-N 0 1 272.367 3.860 20 0 CHADMN CCC[N@H+](Cc1ccc(Cl)cc1C(=O)[O-])CC(C)C ZINC001142669763 1132422189 /nfs/dbraw/zinc/42/21/89/1132422189.db2.gz VWSWDNJCIFUULP-UHFFFAOYSA-N 0 1 283.799 3.906 20 0 CHADMN C[C@@H]1Cc2ccccc2CN1Cc1cc2ccncc2[nH]1 ZINC001232095424 1132422503 /nfs/dbraw/zinc/42/25/03/1132422503.db2.gz HHQPSROWTHFKBZ-CYBMUJFWSA-N 0 1 277.371 3.510 20 0 CHADMN CCCC[C@H](CC(C)C)NCc1nc(C2CC2)no1 ZINC001173254435 1132424148 /nfs/dbraw/zinc/42/41/48/1132424148.db2.gz XLYAKTBEFKJHTP-CYBMUJFWSA-N 0 1 265.401 3.642 20 0 CHADMN CCCC[C@H](CC(C)C)N1CCC[C@@H](F)C(=O)C1 ZINC001173258405 1132426850 /nfs/dbraw/zinc/42/68/50/1132426850.db2.gz TYPCYIPRGSAOBF-ZIAGYGMSSA-N 0 1 257.393 3.594 20 0 CHADMN CCCN(C)Cc1c(Br)[nH]c2ccccc21 ZINC001232140418 1132428132 /nfs/dbraw/zinc/42/81/32/1132428132.db2.gz SRDJMURUAGXCHG-UHFFFAOYSA-N 0 1 281.197 3.772 20 0 CHADMN CN(Cc1nc(Cl)ccc1F)C1CCCCC1 ZINC001232156529 1132430002 /nfs/dbraw/zinc/43/00/02/1132430002.db2.gz MPIHESYKRJWYDV-UHFFFAOYSA-N 0 1 256.752 3.639 20 0 CHADMN CC[C@H]1CCCN(Cc2ncc(C)cc2Br)C1 ZINC001232176967 1132431129 /nfs/dbraw/zinc/43/11/29/1132431129.db2.gz FBFRVOZZWVQVNC-LBPRGKRZSA-N 0 1 297.240 3.775 20 0 CHADMN c1cc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)sn1 ZINC001232193199 1132433164 /nfs/dbraw/zinc/43/31/64/1132433164.db2.gz UXRZTKPTJOPESA-OAHLLOKOSA-N 0 1 272.417 3.598 20 0 CHADMN Cc1scnc1CN1CCC(c2cccc(O)c2)CC1 ZINC001232205041 1132435709 /nfs/dbraw/zinc/43/57/09/1132435709.db2.gz DOKLIGYVDFSHJC-UHFFFAOYSA-N 0 1 288.416 3.537 20 0 CHADMN CCOCC1CCN(Cc2csc(Cl)c2)CC1 ZINC001142770418 1132444346 /nfs/dbraw/zinc/44/43/46/1132444346.db2.gz AXSNLNLJCUFHNJ-UHFFFAOYSA-N 0 1 273.829 3.650 20 0 CHADMN CC[C@H](C)c1ccc(-c2nc(C3(N)CCCC3)no2)cc1 ZINC000842590180 1132444496 /nfs/dbraw/zinc/44/44/96/1132444496.db2.gz MJIFDJRZFWEAKH-LBPRGKRZSA-N 0 1 285.391 3.978 20 0 CHADMN CCCCCC[C@@H](C)Cc1nc([C@H]2CCCN2)no1 ZINC000842641653 1132447910 /nfs/dbraw/zinc/44/79/10/1132447910.db2.gz PAKLIXNOVXVMME-CHWSQXEVSA-N 0 1 265.401 3.643 20 0 CHADMN Clc1csc(CN2CCC(c3ncccn3)CC2)c1 ZINC001232280089 1132448823 /nfs/dbraw/zinc/44/88/23/1132448823.db2.gz AIKUWTAUWNADLV-UHFFFAOYSA-N 0 1 293.823 3.571 20 0 CHADMN CCOc1ncc(CN2CCc3ccccc3[C@@H]2C)cc1C ZINC001232302859 1132451402 /nfs/dbraw/zinc/45/14/02/1132451402.db2.gz NHKRCFZBTYFICB-HNNXBMFYSA-N 0 1 296.414 3.908 20 0 CHADMN Cc1cc(Br)ncc1CN1C[C@H](C)C[C@@H](C)C1 ZINC001232317646 1132452917 /nfs/dbraw/zinc/45/29/17/1132452917.db2.gz XNOHLOYNLHKBOS-GHMZBOCLSA-N 0 1 297.240 3.630 20 0 CHADMN Cc1cc(Br)ncc1CN1CCC[C@H](C)[C@H]1C ZINC001232320502 1132454744 /nfs/dbraw/zinc/45/47/44/1132454744.db2.gz WAZXQJGGXZZGJK-CMPLNLGQSA-N 0 1 297.240 3.773 20 0 CHADMN Cc1nc(F)ccc1CNC1(c2ccccc2F)CCC1 ZINC000842745363 1132456524 /nfs/dbraw/zinc/45/65/24/1132456524.db2.gz FZIBPXWWYPFHRL-UHFFFAOYSA-N 0 1 288.341 3.837 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1ccc(OC)nc1C ZINC001232336557 1132456749 /nfs/dbraw/zinc/45/67/49/1132456749.db2.gz RMNRIAQUFMYBRA-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN CCSC[C@@H](C)NCc1c(F)ccc(C)c1F ZINC001173288414 1132457757 /nfs/dbraw/zinc/45/77/57/1132457757.db2.gz VNKQWIJGWWEWON-SNVBAGLBSA-N 0 1 259.365 3.504 20 0 CHADMN CCSC[C@@H](C)NCc1c(Cl)cncc1Cl ZINC001173290954 1132458637 /nfs/dbraw/zinc/45/86/37/1132458637.db2.gz KNKCPUIFGJYOQE-MRVPVSSYSA-N 0 1 279.236 3.620 20 0 CHADMN CC(C)[C@H]1COCCN1Cc1cccc(-c2ccccn2)c1 ZINC001142844514 1132459207 /nfs/dbraw/zinc/45/92/07/1132459207.db2.gz WIJNRZDUNLPJRL-LJQANCHMSA-N 0 1 296.414 3.605 20 0 CHADMN CC[C@@H]1CCCN1Cc1cc(OC)c(Cl)cc1OC ZINC001232374316 1132460773 /nfs/dbraw/zinc/46/07/73/1132460773.db2.gz QIKNJDXPOJSIAR-GFCCVEGCSA-N 0 1 283.799 3.732 20 0 CHADMN CCOc1ccc(OC)cc1CN1CCCCC12CC2 ZINC001232385973 1132461583 /nfs/dbraw/zinc/46/15/83/1132461583.db2.gz YZAUXKWVVCXAMP-UHFFFAOYSA-N 0 1 275.392 3.612 20 0 CHADMN Cc1cccc(CN(C)C[C@H]2CCCCO2)c1OC(C)C ZINC001232392749 1132464394 /nfs/dbraw/zinc/46/43/94/1132464394.db2.gz ZWIRKPOJBWSPOI-QGZVFWFLSA-N 0 1 291.435 3.783 20 0 CHADMN Clc1ccc2c(c1)CN(Cc1ccnc3[nH]ccc31)CC2 ZINC001142867008 1132465016 /nfs/dbraw/zinc/46/50/16/1132465016.db2.gz UZTPJCNZBYEHFA-UHFFFAOYSA-N 0 1 297.789 3.775 20 0 CHADMN Cc1coc(CN[C@H]2CCCC3(CCCCC3)C2)n1 ZINC001173337705 1132466636 /nfs/dbraw/zinc/46/66/36/1132466636.db2.gz ACMPDWYWQYWVGZ-AWEZNQCLSA-N 0 1 262.397 3.966 20 0 CHADMN C[C@@H](NC/C=C\c1ccccc1)c1cc2n(n1)CCCC2 ZINC000842841084 1132467540 /nfs/dbraw/zinc/46/75/40/1132467540.db2.gz SHJGVPOMYYMDIL-YYRKOSNBSA-N 0 1 281.403 3.583 20 0 CHADMN Cc1c(F)cc(CN2CC[C@@H](COCC3CC3)C2)cc1F ZINC001232424294 1132470363 /nfs/dbraw/zinc/47/03/63/1132470363.db2.gz MDAHLHRYTTWPKI-CQSZACIVSA-N 0 1 295.373 3.522 20 0 CHADMN CN(Cc1ncccn1)[C@H]1CCCC2(CCCCC2)C1 ZINC001173346951 1132472315 /nfs/dbraw/zinc/47/23/15/1132472315.db2.gz UAFRJLLPKHKEHP-HNNXBMFYSA-N 0 1 273.424 3.802 20 0 CHADMN CN(Cc1ccsc1)Cc1c[nH]c2nccc(Cl)c12 ZINC001232460682 1132472795 /nfs/dbraw/zinc/47/27/95/1132472795.db2.gz UGFIZDUXMMIILQ-UHFFFAOYSA-N 0 1 291.807 3.910 20 0 CHADMN O=C1CN([C@@H]2CCCC3(CCCCC3)C2)CCC[C@H]1F ZINC001173347162 1132472783 /nfs/dbraw/zinc/47/27/83/1132472783.db2.gz XMOBXWZBHNBMPM-HUUCEWRRSA-N 0 1 281.415 3.883 20 0 CHADMN Cc1nc(CN2CCC(c3cccc(Cl)c3)CC2)c[nH]1 ZINC001232459581 1132473724 /nfs/dbraw/zinc/47/37/24/1132473724.db2.gz FLQXJYKNCXLJHG-UHFFFAOYSA-N 0 1 289.810 3.751 20 0 CHADMN Cc1ncc(CN2CCC[C@@H]2c2ccc(Cl)cc2)[nH]1 ZINC001232461840 1132473821 /nfs/dbraw/zinc/47/38/21/1132473821.db2.gz GFEOCUNTQLNLLD-OAHLLOKOSA-N 0 1 275.783 3.709 20 0 CHADMN CSc1ccccc1[C@@H]1CCC[N@H+]1Cc1cnc(C)[nH]1 ZINC001232464590 1132473836 /nfs/dbraw/zinc/47/38/36/1132473836.db2.gz ISWDTQDXOQBKJI-HNNXBMFYSA-N 0 1 287.432 3.777 20 0 CHADMN CSc1ccccc1[C@@H]1CCC[N@@H+]1Cc1c[nH]c(C)n1 ZINC001232464590 1132473837 /nfs/dbraw/zinc/47/38/37/1132473837.db2.gz ISWDTQDXOQBKJI-HNNXBMFYSA-N 0 1 287.432 3.777 20 0 CHADMN CSc1ccccc1[C@@H]1CCCN1Cc1c[nH]c(C)n1 ZINC001232464590 1132473842 /nfs/dbraw/zinc/47/38/42/1132473842.db2.gz ISWDTQDXOQBKJI-HNNXBMFYSA-N 0 1 287.432 3.777 20 0 CHADMN CCCN(C)Cc1cc(F)c(C)cc1Br ZINC001232469584 1132476108 /nfs/dbraw/zinc/47/61/08/1132476108.db2.gz WLMOEALKINNCKK-UHFFFAOYSA-N 0 1 274.177 3.738 20 0 CHADMN Cc1cccc(F)c1CN1CCC[C@@H]1c1ccccn1 ZINC001232484240 1132478455 /nfs/dbraw/zinc/47/84/55/1132478455.db2.gz YYMBJCGPQFDKFD-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cccc(F)c1CN1CCC[C@H]1c1cccnc1 ZINC001232481208 1132478531 /nfs/dbraw/zinc/47/85/31/1132478531.db2.gz BEPDDQVUUPTIDC-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN COc1cc(Cl)ccc1CN1CCCCC12CC2 ZINC001232501127 1132481170 /nfs/dbraw/zinc/48/11/70/1132481170.db2.gz IHROFVNFDRMGRH-UHFFFAOYSA-N 0 1 265.784 3.867 20 0 CHADMN COc1cc(C)c(CN2Cc3ccccc3C2)c(C)c1 ZINC001142931437 1132482035 /nfs/dbraw/zinc/48/20/35/1132482035.db2.gz QMRHTWDLVQLFOO-UHFFFAOYSA-N 0 1 267.372 3.828 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1cccc(CF)n1 ZINC001232532865 1132484024 /nfs/dbraw/zinc/48/40/24/1132484024.db2.gz BAMPMUXJRBOWQE-CYBMUJFWSA-N 0 1 270.351 3.670 20 0 CHADMN C[C@@H]1CN(Cc2cccc(CF)n2)Cc2ccccc21 ZINC001232535871 1132484337 /nfs/dbraw/zinc/48/43/37/1132484337.db2.gz ODLKHHQAOAKIMJ-CYBMUJFWSA-N 0 1 270.351 3.670 20 0 CHADMN Cc1c(Br)cncc1CN1C[C@H](C)C[C@H](C)C1 ZINC001232530993 1132484385 /nfs/dbraw/zinc/48/43/85/1132484385.db2.gz QBTZNSPSCNAEAX-PHIMTYICSA-N 0 1 297.240 3.630 20 0 CHADMN Cc1ccc2c(c1)CC[N@@H+](C1Cc3cc(F)c(F)cc3C1)C2 ZINC001173481590 1132485972 /nfs/dbraw/zinc/48/59/72/1132485972.db2.gz NPPLEMCMPIOMKZ-UHFFFAOYSA-N 0 1 299.364 3.799 20 0 CHADMN CN(C/C=C/c1ccccc1)Cc1cccc(CF)n1 ZINC001232540054 1132486267 /nfs/dbraw/zinc/48/62/67/1132486267.db2.gz XJYWVJKKIWJEGD-RMKNXTFCSA-N 0 1 270.351 3.696 20 0 CHADMN Cc1nc([C@H](C)NC2Cc3cc(F)c(F)cc3C2)cs1 ZINC001173470791 1132488329 /nfs/dbraw/zinc/48/83/29/1132488329.db2.gz ABONHQWJXODMNE-QMMMGPOBSA-N 0 1 294.370 3.548 20 0 CHADMN COC(=O)c1ccc(CN2CCCC[C@@H]2C)c(Cl)c1 ZINC001232575721 1132489659 /nfs/dbraw/zinc/48/96/59/1132489659.db2.gz ZZSBYFVVZHDNTG-NSHDSACASA-N 0 1 281.783 3.501 20 0 CHADMN Clc1cc(-n2cccn2)ccc1CN1CCC[C@H]2C[C@H]21 ZINC001232596156 1132491531 /nfs/dbraw/zinc/49/15/31/1132491531.db2.gz LYAFBNSBZNUCPO-BLLLJJGKSA-N 0 1 287.794 3.510 20 0 CHADMN CCOC(=O)c1ccc(CN2CCC[C@H]3C[C@H]32)c(Cl)c1 ZINC001232594395 1132492143 /nfs/dbraw/zinc/49/21/43/1132492143.db2.gz SJGKKNVZGCQZNE-XHDPSFHLSA-N 0 1 293.794 3.501 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1ccc2nccn2c1 ZINC001143027176 1132494106 /nfs/dbraw/zinc/49/41/06/1132494106.db2.gz LWANPXOFTPALOQ-CQSZACIVSA-N 0 1 295.386 3.536 20 0 CHADMN CC[C@@H](C)[N@@H+](C)Cc1ccc(Cl)c([O-])c1Cl ZINC001232625635 1132497542 /nfs/dbraw/zinc/49/75/42/1132497542.db2.gz ODLQPGYVEDCYFU-MRVPVSSYSA-N 0 1 262.180 3.929 20 0 CHADMN Cc1ccc2c(-c3nc([C@@H](N)C(C)C)no3)csc2c1 ZINC000843155278 1132498276 /nfs/dbraw/zinc/49/82/76/1132498276.db2.gz UTCDFWSVRFIBIT-ZDUSSCGKSA-N 0 1 287.388 3.916 20 0 CHADMN CC(C)[C@@H](N)c1noc(/C(F)=C/C2CCCCC2)n1 ZINC000843152218 1132498505 /nfs/dbraw/zinc/49/85/05/1132498505.db2.gz HWUQQZUNUADXMR-NXIHDVOMSA-N 0 1 267.348 3.616 20 0 CHADMN Cc1cc(C)c(/C=C/c2nc([C@H](N)C(C)C)no2)cc1C ZINC000843147885 1132498826 /nfs/dbraw/zinc/49/88/26/1132498826.db2.gz ISYPECGBRSZDJV-FYCOFBDGSA-N 0 1 285.391 3.821 20 0 CHADMN CC[C@H](C)c1ccc(-c2nc([C@@H](N)C(C)C)no2)cc1 ZINC000843149204 1132499203 /nfs/dbraw/zinc/49/92/03/1132499203.db2.gz JJQGDCBGWBYIJF-FZMZJTMJSA-N 0 1 273.380 3.906 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000843184966 1132500387 /nfs/dbraw/zinc/50/03/87/1132500387.db2.gz ZMTVZCATSRVHRR-CQSZACIVSA-N 0 1 298.390 3.915 20 0 CHADMN CCCN[C@H](C)c1nc(-c2ccc(Cl)cc2F)no1 ZINC000843235781 1132505611 /nfs/dbraw/zinc/50/56/11/1132505611.db2.gz UOQNIWRMDXWJTO-MRVPVSSYSA-N 0 1 283.734 3.590 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(-c2cccc(C)c2F)no1 ZINC000843227469 1132507022 /nfs/dbraw/zinc/50/70/22/1132507022.db2.gz UKURONPBSQZLAM-LBPRGKRZSA-N 0 1 291.370 3.881 20 0 CHADMN COc1cc(C)cc(CN2CCc3c(cccc3OC)C2)c1 ZINC001143160438 1132509381 /nfs/dbraw/zinc/50/93/81/1132509381.db2.gz OJNHTWBLPINXIK-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN Clc1ccc2cc(CN3CCC[C@H]4C[C@H]43)[nH]c2c1 ZINC001232735539 1132512841 /nfs/dbraw/zinc/51/28/41/1132512841.db2.gz YBPBNQKUVAGGDX-XHDPSFHLSA-N 0 1 260.768 3.806 20 0 CHADMN C[C@H]1CN(Cc2ccc3ncsc3c2)CCC1(F)F ZINC001232736876 1132512930 /nfs/dbraw/zinc/51/29/30/1132512930.db2.gz MXSPZRHRSGCXQG-JTQLQIEISA-N 0 1 282.359 3.773 20 0 CHADMN c1nc2ccc(CN3CC4(C3)CCCC4)cc2s1 ZINC001232738950 1132513968 /nfs/dbraw/zinc/51/39/68/1132513968.db2.gz KOIBSZIYZYQMEG-UHFFFAOYSA-N 0 1 258.390 3.672 20 0 CHADMN O=c1cc(Nc2cccc3ccccc32)nc(Cl)[nH]1 ZINC001173796528 1132529476 /nfs/dbraw/zinc/52/94/76/1132529476.db2.gz KAZPWGBAIFTPFW-UHFFFAOYSA-N 0 1 271.707 3.732 20 0 CHADMN COc1c(F)ccc(CN2CC[C@H]3CCC[C@@H]3C2)c1F ZINC001143319844 1132536871 /nfs/dbraw/zinc/53/68/71/1132536871.db2.gz AQYHWFLGYVXZEA-VXGBXAGGSA-N 0 1 281.346 3.595 20 0 CHADMN COc1cc(CN2CC(C)(C)C2)ccc1C(F)(F)F ZINC001143342799 1132537230 /nfs/dbraw/zinc/53/72/30/1132537230.db2.gz XZERUFMTRIFGLL-UHFFFAOYSA-N 0 1 273.298 3.556 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2ccc(F)c([O-])c2F)C[C@H]1C ZINC001232931348 1132544460 /nfs/dbraw/zinc/54/44/60/1132544460.db2.gz MWLSLRHMQCCFPV-WDEREUQCSA-N 0 1 269.335 3.538 20 0 CHADMN Cc1cccc(CC[N@H+](C)Cc2ccc(F)c([O-])c2F)c1 ZINC001232934187 1132544811 /nfs/dbraw/zinc/54/48/11/1132544811.db2.gz BBZHHHCKHUODHS-UHFFFAOYSA-N 0 1 291.341 3.653 20 0 CHADMN C[N@@H+](Cc1ccc(F)c([O-])c1F)[C@H]1CCc2ccccc21 ZINC001232938499 1132544907 /nfs/dbraw/zinc/54/49/07/1132544907.db2.gz DSFUFFIVPKIGOP-HNNXBMFYSA-N 0 1 289.325 3.790 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c([O-])c1F ZINC001232935592 1132545247 /nfs/dbraw/zinc/54/52/47/1132545247.db2.gz VCKITFGARUGKCK-GFCCVEGCSA-N 0 1 269.335 3.825 20 0 CHADMN [O-]c1c(F)ccc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c1F ZINC001232935579 1132546524 /nfs/dbraw/zinc/54/65/24/1132546524.db2.gz UHIHTUVNMYBZGA-SMDDNHRTSA-N 0 1 281.346 3.825 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2cc([O-])c(F)c(F)c2)cc1 ZINC001232975440 1132555676 /nfs/dbraw/zinc/55/56/76/1132555676.db2.gz JUBVCOCSOGLWSY-UHFFFAOYSA-N 0 1 291.341 3.865 20 0 CHADMN Cc1ncc(F)cc1CN1CCC(c2cccs2)CC1 ZINC001232989595 1132558243 /nfs/dbraw/zinc/55/82/43/1132558243.db2.gz FRMREMILHRAJIB-UHFFFAOYSA-N 0 1 290.407 3.970 20 0 CHADMN FC1(F)CSC2(CN(Cc3ccc(C4CC4)cc3)C2)C1 ZINC001232986305 1132559036 /nfs/dbraw/zinc/55/90/36/1132559036.db2.gz MQRNDCCLWPOKJQ-UHFFFAOYSA-N 0 1 295.398 3.891 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cc(F)cnc2C)cc1 ZINC001232991083 1132559089 /nfs/dbraw/zinc/55/90/89/1132559089.db2.gz UHXCWDFNXXAXLK-ZDUSSCGKSA-N 0 1 288.366 3.731 20 0 CHADMN CCOC(=O)c1ccsc1CN(C)[C@H]1CC[C@H](C)CC1 ZINC001233024931 1132564033 /nfs/dbraw/zinc/56/40/33/1132564033.db2.gz OGTDBQGAXPMCRY-JOCQHMNTSA-N 0 1 295.448 3.935 20 0 CHADMN Clc1sccc1CN1CCC2(CCCO2)CC1 ZINC001233056325 1132566627 /nfs/dbraw/zinc/56/66/27/1132566627.db2.gz HLRLVDKOTUNSBY-UHFFFAOYSA-N 0 1 271.813 3.547 20 0 CHADMN Cc1ccc(CCN(C)Cc2cccc(O)c2F)cc1 ZINC001233053083 1132566722 /nfs/dbraw/zinc/56/67/22/1132566722.db2.gz JHNOZJHYAAOHHC-UHFFFAOYSA-N 0 1 273.351 3.514 20 0 CHADMN Oc1cccc(CN2CCC3(CC[C@H](F)C3)CC2)c1F ZINC001233056713 1132568409 /nfs/dbraw/zinc/56/84/09/1132568409.db2.gz HHFAMRTZPAGZCG-ZDUSSCGKSA-N 0 1 281.346 3.636 20 0 CHADMN [O-]c1cccc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c1F ZINC001233056713 1132568412 /nfs/dbraw/zinc/56/84/12/1132568412.db2.gz HHFAMRTZPAGZCG-ZDUSSCGKSA-N 0 1 281.346 3.636 20 0 CHADMN Cc1cc(CN2CCSC[C@H]2c2ccccc2)cnc1C ZINC001233161669 1132575349 /nfs/dbraw/zinc/57/53/49/1132575349.db2.gz HIKARCKLZUICRM-SFHVURJKSA-N 0 1 298.455 3.989 20 0 CHADMN CCCN(CCOC)Cc1csc(C(F)(F)F)c1 ZINC001233174491 1132578339 /nfs/dbraw/zinc/57/83/39/1132578339.db2.gz MYFKYLANZLQZOH-UHFFFAOYSA-N 0 1 281.343 3.625 20 0 CHADMN COc1cc(Br)cc(CN2CCC[C@@H](C)C2)c1 ZINC001233213740 1132582240 /nfs/dbraw/zinc/58/22/40/1132582240.db2.gz OTFNXAKJQDAWOO-LLVKDONJSA-N 0 1 298.224 3.690 20 0 CHADMN COc1ccc(CC[N@@H+](C)Cc2ccc([S-])cc2)cc1 ZINC001233261109 1132590108 /nfs/dbraw/zinc/59/01/08/1132590108.db2.gz BVRBFIZWXQHZCT-UHFFFAOYSA-N 0 1 287.428 3.658 20 0 CHADMN [S-]c1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC001233261586 1132590284 /nfs/dbraw/zinc/59/02/84/1132590284.db2.gz VDVSGBCDOWQKCK-INIZCTEOSA-N 0 1 270.401 3.707 20 0 CHADMN COc1ccc(C[N@@H+](C)Cc2ccc([S-])cc2)cc1 ZINC001233259445 1132590413 /nfs/dbraw/zinc/59/04/13/1132590413.db2.gz SHHOAEWEPPYSQA-UHFFFAOYSA-N 0 1 273.401 3.616 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cccc(O)c1OC ZINC001233257676 1132591143 /nfs/dbraw/zinc/59/11/43/1132591143.db2.gz VROUFBXUPDYEPC-QGZVFWFLSA-N 0 1 297.398 3.910 20 0 CHADMN Cc1cc(CN(C)CCc2cccc(Cl)c2)sn1 ZINC001233312208 1132598297 /nfs/dbraw/zinc/59/82/97/1132598297.db2.gz DKDGCMBTZCOMRE-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN Cc1cnsc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC001233318272 1132598765 /nfs/dbraw/zinc/59/87/65/1132598765.db2.gz XLRDXDXZFKOTAX-CQSZACIVSA-N 0 1 276.380 3.928 20 0 CHADMN CC(=O)c1ccc(Nc2cnc3cccc(C)n23)cc1 ZINC001173895654 1132599111 /nfs/dbraw/zinc/59/91/11/1132599111.db2.gz AYGNAJCUXYCQNY-UHFFFAOYSA-N 0 1 265.316 3.589 20 0 CHADMN COc1cccc([C@@H]2CCN(Cc3ccc(Cl)o3)C2)c1 ZINC001233317520 1132599266 /nfs/dbraw/zinc/59/92/66/1132599266.db2.gz QPXKQKUJKJQEHP-CYBMUJFWSA-N 0 1 291.778 3.931 20 0 CHADMN COc1ccc([C@H]2CCCN2Cc2sncc2C)cc1 ZINC001233320889 1132599762 /nfs/dbraw/zinc/59/97/62/1132599762.db2.gz RKKGRBMNCZOWHQ-OAHLLOKOSA-N 0 1 288.416 3.797 20 0 CHADMN COc1ccccc1[C@H]1CCCN1Cc1sncc1C ZINC001233320856 1132600278 /nfs/dbraw/zinc/60/02/78/1132600278.db2.gz PYQQPUHHZNJYHE-CQSZACIVSA-N 0 1 288.416 3.797 20 0 CHADMN Cc1cnsc1CN1CC=C(c2ccccc2)CC1 ZINC001233321309 1132601585 /nfs/dbraw/zinc/60/15/85/1132601585.db2.gz IQXZEPUXYFVXPU-UHFFFAOYSA-N 0 1 270.401 3.741 20 0 CHADMN CN(Cc1cc2cccnc2s1)Cc1cccc(O)c1 ZINC001233346284 1132605895 /nfs/dbraw/zinc/60/58/95/1132605895.db2.gz YDKJKZSUMJWEAI-UHFFFAOYSA-N 0 1 284.384 3.634 20 0 CHADMN CC(=O)c1cccc(Nc2ccc3c(c2)CN(C)CC3)c1 ZINC001173902614 1132606431 /nfs/dbraw/zinc/60/64/31/1132606431.db2.gz NAKOIFUFCUVZBJ-UHFFFAOYSA-N 0 1 280.371 3.621 20 0 CHADMN CC[N@@H+](Cc1cc2cccnc2s1)Cc1ccccn1 ZINC001233348918 1132607519 /nfs/dbraw/zinc/60/75/19/1132607519.db2.gz WCOAISQOQNLTPT-UHFFFAOYSA-N 0 1 283.400 3.713 20 0 CHADMN CCN(Cc1cc2cccnc2s1)Cc1ccccn1 ZINC001233348918 1132607525 /nfs/dbraw/zinc/60/75/25/1132607525.db2.gz WCOAISQOQNLTPT-UHFFFAOYSA-N 0 1 283.400 3.713 20 0 CHADMN CSc1cccc(Cl)c1CN1CC[C@@](C)(O)[C@@H](C)C1 ZINC001233350442 1132608742 /nfs/dbraw/zinc/60/87/42/1132608742.db2.gz HPOMKQUCJMAFSB-XHDPSFHLSA-N 0 1 299.867 3.655 20 0 CHADMN C[C@H]1CCCC[N@@H+](Cc2cnc3cccc(Cl)n23)C1 ZINC001233356620 1132609838 /nfs/dbraw/zinc/60/98/38/1132609838.db2.gz SVJITGVOMNCDHJ-LBPRGKRZSA-N 0 1 277.799 3.610 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cc(F)cc(F)c1 ZINC001173914256 1132610175 /nfs/dbraw/zinc/61/01/75/1132610175.db2.gz LYFSYGKTLVUPAP-UHFFFAOYSA-N 0 1 277.249 3.804 20 0 CHADMN CCC1CCN(Cc2ccc(OC)c(O)c2Cl)CC1 ZINC001233397886 1132615658 /nfs/dbraw/zinc/61/56/58/1132615658.db2.gz OZZPASMYKWRIJQ-UHFFFAOYSA-N 0 1 283.799 3.676 20 0 CHADMN CCC[C@H]1CCCCN1Cc1c(F)ccc(O)c1F ZINC001233395592 1132616616 /nfs/dbraw/zinc/61/66/16/1132616616.db2.gz DOXSIOMHRULDPE-NSHDSACASA-N 0 1 269.335 3.825 20 0 CHADMN COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H](C)C2)c(Cl)c1[O-] ZINC001233397684 1132616750 /nfs/dbraw/zinc/61/67/50/1132616750.db2.gz IYVINXOZQREWFI-NEPJUHHUSA-N 0 1 297.826 3.922 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)c(Cl)c1[O-] ZINC001233397684 1132616752 /nfs/dbraw/zinc/61/67/52/1132616752.db2.gz IYVINXOZQREWFI-NEPJUHHUSA-N 0 1 297.826 3.922 20 0 CHADMN COc1ccc(CN2CC[C@@H](C)C[C@@H]2C)c(Cl)c1O ZINC001233400699 1132617160 /nfs/dbraw/zinc/61/71/60/1132617160.db2.gz UJZITSFHTILFEN-MNOVXSKESA-N 0 1 283.799 3.675 20 0 CHADMN Clc1ncnc(Cl)c1CN1CCC[C@H]2CCC[C@H]21 ZINC001233410228 1132618855 /nfs/dbraw/zinc/61/88/55/1132618855.db2.gz DWMMELBXQZOINK-MWLCHTKSSA-N 0 1 286.206 3.548 20 0 CHADMN CC(C)(C)c1cc(Nc2ccncc2)n(-c2ccccc2)n1 ZINC001173879029 1132622103 /nfs/dbraw/zinc/62/21/03/1132622103.db2.gz BGIRWJVIZXVFSZ-UHFFFAOYSA-N 0 1 292.386 3.730 20 0 CHADMN Clc1nc2cc(Nc3ccncc3)ccc2s1 ZINC001173883271 1132623457 /nfs/dbraw/zinc/62/34/57/1132623457.db2.gz DXPZQDPQRAGHHU-UHFFFAOYSA-N 0 1 261.737 3.510 20 0 CHADMN Fc1ccc(Oc2ncccc2Nc2ccncc2)cc1 ZINC001173882567 1132623969 /nfs/dbraw/zinc/62/39/69/1132623969.db2.gz ZJWAPMILJOTDLS-UHFFFAOYSA-N 0 1 281.290 3.574 20 0 CHADMN CC(C)(C)OC(=O)n1ccc(CN2CCC[C@H](F)CC2)c1 ZINC001233429837 1132623973 /nfs/dbraw/zinc/62/39/73/1132623973.db2.gz PPDZDQHKIDVDOT-AWEZNQCLSA-N 0 1 296.386 3.595 20 0 CHADMN COc1ccc(Nc2cc(C)nc3ccccc32)cc1OC ZINC001173885393 1132625763 /nfs/dbraw/zinc/62/57/63/1132625763.db2.gz XYKSWWNYWPUQHV-UHFFFAOYSA-N 0 1 294.354 3.726 20 0 CHADMN Clc1cncc(CN2CCC[C@H](c3ccccc3)C2)n1 ZINC001233449312 1132625854 /nfs/dbraw/zinc/62/58/54/1132625854.db2.gz YDPHMYPYIRPHEZ-AWEZNQCLSA-N 0 1 287.794 3.510 20 0 CHADMN FC(F)(F)Oc1ccc(Cl)c(Nc2ccncc2)c1 ZINC001173884419 1132625906 /nfs/dbraw/zinc/62/59/06/1132625906.db2.gz IBNPMFMWYVEEJW-UHFFFAOYSA-N 0 1 288.656 3.799 20 0 CHADMN Cc1cnc(NCc2ccc(C(F)(F)F)n2C)cc1C ZINC001155248721 1132650385 /nfs/dbraw/zinc/65/03/85/1132650385.db2.gz VIIRITHZGICAEA-UHFFFAOYSA-N 0 1 283.297 3.668 20 0 CHADMN O=c1ccn(-c2ccc(Nc3cccc(F)c3F)cc2)[nH]1 ZINC001173948515 1132655301 /nfs/dbraw/zinc/65/53/01/1132655301.db2.gz GNBJWQJYLSFPLM-UHFFFAOYSA-N 0 1 287.269 3.600 20 0 CHADMN Cc1cc(CN2CCC(=O)[C@H]3CCCC[C@@H]32)sc1C ZINC001233656137 1132657645 /nfs/dbraw/zinc/65/76/45/1132657645.db2.gz RZJMCGXYHWKBAO-GJZGRUSLSA-N 0 1 277.433 3.699 20 0 CHADMN Cc1cccc2ccnc(NCCc3cccc(O)c3)c12 ZINC001155867021 1132667800 /nfs/dbraw/zinc/66/78/00/1132667800.db2.gz ACQKFWLOGRMGJH-UHFFFAOYSA-N 0 1 278.355 3.903 20 0 CHADMN COc1cccc(Br)c1N=C1CCCC1 ZINC001173998744 1132669505 /nfs/dbraw/zinc/66/95/05/1132669505.db2.gz UUCUFLXLWRLPCE-UHFFFAOYSA-N 0 1 268.154 3.937 20 0 CHADMN Cc1cc2ccccc2c(NC[C@H]2Cc3ccccc3O2)n1 ZINC001155971370 1132673849 /nfs/dbraw/zinc/67/38/49/1132673849.db2.gz BEEPVAVMJLTZGR-MRXNPFEDSA-N 0 1 290.366 3.959 20 0 CHADMN Cc1cccc2ccnc(NCCCc3ccncc3)c12 ZINC001156408147 1132692618 /nfs/dbraw/zinc/69/26/18/1132692618.db2.gz GAWNTWVLKURDCS-UHFFFAOYSA-N 0 1 277.371 3.983 20 0 CHADMN CCCCCC[C@](C)(CC)C(=O)NCc1cnc(CC)[nH]1 ZINC001156538604 1132703149 /nfs/dbraw/zinc/70/31/49/1132703149.db2.gz YBWNQFMAODYQQR-KRWDZBQOSA-N 0 1 293.455 3.975 20 0 CHADMN Nc1cc(F)cc2c1ccn2-c1ccnc2ccccc21 ZINC001174039807 1132704319 /nfs/dbraw/zinc/70/43/19/1132704319.db2.gz ZRZXIPGJNDITJR-UHFFFAOYSA-N 0 1 277.302 3.900 20 0 CHADMN Cc1ccc(NCc2nccc3ccccc32)nc1C ZINC001156862516 1132711120 /nfs/dbraw/zinc/71/11/20/1132711120.db2.gz IZZRSLHFNAHTGW-UHFFFAOYSA-N 0 1 263.344 3.859 20 0 CHADMN CC(C)c1ncc(CNC(=O)c2cccc(C3CCC3)c2)[nH]1 ZINC001157119544 1132722311 /nfs/dbraw/zinc/72/23/11/1132722311.db2.gz LVRPBGUJUUPMFX-UHFFFAOYSA-N 0 1 297.402 3.731 20 0 CHADMN Cc1cc(C)nc(N2CCc3c([nH]nc3C(F)(F)F)C2)c1 ZINC001157342302 1132728163 /nfs/dbraw/zinc/72/81/63/1132728163.db2.gz NNZCSPQTFKPRQI-CYBMUJFWSA-N 0 1 296.296 3.559 20 0 CHADMN CC(C)N1CC(Nc2nc(Cl)cc3cc(F)ccc32)C1 ZINC001157526306 1132734429 /nfs/dbraw/zinc/73/44/29/1132734429.db2.gz PQDOSJUDALCVQJ-UHFFFAOYSA-N 0 1 293.773 3.532 20 0 CHADMN Cc1cnc(NCc2cccc(C(F)(F)F)c2C)c(N)c1 ZINC001157737463 1132740040 /nfs/dbraw/zinc/74/00/40/1132740040.db2.gz ZBECCLCSNJJQCV-UHFFFAOYSA-N 0 1 295.308 3.912 20 0 CHADMN COC1CCC(Nc2nccc3cccc(C)c32)CC1 ZINC001157810659 1132744663 /nfs/dbraw/zinc/74/46/63/1132744663.db2.gz FTBGIUWSVRLPEZ-UHFFFAOYSA-N 0 1 270.376 3.913 20 0 CHADMN Cc1cc(Nc2ccc3nccn3c2)cc2scnc21 ZINC001174280453 1132769847 /nfs/dbraw/zinc/76/98/47/1132769847.db2.gz XBUKEUZSKQNHEO-UHFFFAOYSA-N 0 1 280.356 3.996 20 0 CHADMN Cc1c(F)ccc(Nc2ccc3nccn3c2)c1C ZINC001174279873 1132769892 /nfs/dbraw/zinc/76/98/92/1132769892.db2.gz LNTYYODNJILZKV-UHFFFAOYSA-N 0 1 255.296 3.834 20 0 CHADMN Clc1cc(Nc2ccc3nccn3c2)cnc1Cl ZINC001174277496 1132785333 /nfs/dbraw/zinc/78/53/33/1132785333.db2.gz WKPJNTMNYMQZDR-UHFFFAOYSA-N 0 1 279.130 3.780 20 0 CHADMN Clc1nccc(Nc2ccc3nccn3c2)c1Cl ZINC001174277411 1132785555 /nfs/dbraw/zinc/78/55/55/1132785555.db2.gz TUDUEQWDOWWIRN-UHFFFAOYSA-N 0 1 279.130 3.780 20 0 CHADMN CC(C)(C)c1ccc(N)c(Nc2ccc3nccn3c2)c1 ZINC001174277636 1132785739 /nfs/dbraw/zinc/78/57/39/1132785739.db2.gz JZGXTBWNQZRFIT-UHFFFAOYSA-N 0 1 280.375 3.958 20 0 CHADMN Cc1ccc(Nc2ccc3nccn3c2)c(Cl)c1O ZINC001174278500 1132785809 /nfs/dbraw/zinc/78/58/09/1132785809.db2.gz WXVIHFRYQSWSKN-UHFFFAOYSA-N 0 1 273.723 3.745 20 0 CHADMN COc1cc(Cl)cc(Nc2ccc3nccn3c2)c1 ZINC001174278568 1132785818 /nfs/dbraw/zinc/78/58/18/1132785818.db2.gz ZJVWUYQZTOLVRT-UHFFFAOYSA-N 0 1 273.723 3.740 20 0 CHADMN c1cn2cc(Nc3ccc(C4CCC4)nc3)ccc2n1 ZINC001174277823 1132786395 /nfs/dbraw/zinc/78/63/95/1132786395.db2.gz CRSWEUZAFOJCGH-UHFFFAOYSA-N 0 1 264.332 3.740 20 0 CHADMN c1nnc(Nc2cccc(Oc3ccccc3)c2)o1 ZINC001174313435 1132791549 /nfs/dbraw/zinc/79/15/49/1132791549.db2.gz FNIZKYUHOIDWCG-UHFFFAOYSA-N 0 1 253.261 3.606 20 0 CHADMN O=C(Nc1cccc2[nH]nnc21)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC001158816561 1132794223 /nfs/dbraw/zinc/79/42/23/1132794223.db2.gz FLQSILOFWBFVMI-RWMBFGLXSA-N 0 1 298.390 3.503 20 0 CHADMN CO[C@@H]1CCN(c2nc(C)cc3ccccc32)[C@H](C)C1 ZINC001158896655 1132796812 /nfs/dbraw/zinc/79/68/12/1132796812.db2.gz HDFQWSJTNVJAHT-UKRRQHHQSA-N 0 1 270.376 3.547 20 0 CHADMN CCc1ccc(C)nc1Nc1cccc2[nH]ncc21 ZINC001174342493 1132799360 /nfs/dbraw/zinc/79/93/60/1132799360.db2.gz PRPJZSJUVORKAK-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN Oc1ccccc1-c1cc(Nc2cccc3[nH]ncc32)on1 ZINC001174342511 1132799608 /nfs/dbraw/zinc/79/96/08/1132799608.db2.gz COMMHTUQLNGIOV-UHFFFAOYSA-N 0 1 292.298 3.667 20 0 CHADMN c1coc(-c2cc(Nc3cccc4[nH]ncc43)on2)c1 ZINC001174343523 1132800777 /nfs/dbraw/zinc/80/07/77/1132800777.db2.gz UBTGFELVWHISMT-UHFFFAOYSA-N 0 1 266.260 3.555 20 0 CHADMN c1cnn(Cc2cccc(Nc3cccc4[nH]ncc43)c2)c1 ZINC001174344101 1132800836 /nfs/dbraw/zinc/80/08/36/1132800836.db2.gz MVZFOTZCSIJFAI-UHFFFAOYSA-N 0 1 289.342 3.551 20 0 CHADMN Cc1c2ccc(Nc3cccc4[nH]ncc43)cc2nn1C ZINC001174344199 1132801557 /nfs/dbraw/zinc/80/15/57/1132801557.db2.gz PRUFBDUZOFLVRR-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN Fc1nc(F)c(Cl)c(Nc2cccc3[nH]ncc32)c1F ZINC001174343169 1132801794 /nfs/dbraw/zinc/80/17/94/1132801794.db2.gz SMBDTRXLNMLWQJ-UHFFFAOYSA-N 0 1 298.655 3.772 20 0 CHADMN FC(F)(F)c1ccncc1Nc1cccc2[nH]ncc21 ZINC001174343181 1132802139 /nfs/dbraw/zinc/80/21/39/1132802139.db2.gz STLXSUPWPZPKHO-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN Cc1cc(Nc2cccc3[nH]ncc32)c(C)cc1O ZINC001174344298 1132802375 /nfs/dbraw/zinc/80/23/75/1132802375.db2.gz TTZLFQVMYLUUEA-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1c(Cl)cc(N)cc1Nc1cccc2[nH]ncc21 ZINC001174344766 1132803478 /nfs/dbraw/zinc/80/34/78/1132803478.db2.gz CCAGOJQVFIWRSM-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN Cc1nc2c(Nc3cccc4[nH]ncc43)cccn2c1C ZINC001174345026 1132803666 /nfs/dbraw/zinc/80/36/66/1132803666.db2.gz UQBHLGGUZKIXCE-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN COC(=O)c1cc(C)c(Nc2cccc3[nH]ncc32)c(C)c1 ZINC001174345828 1132803734 /nfs/dbraw/zinc/80/37/34/1132803734.db2.gz VKIPUYBYVDQMRY-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN COc1ccc(Cl)cc1Nc1cccc2[nH]ncc21 ZINC001174344912 1132803919 /nfs/dbraw/zinc/80/39/19/1132803919.db2.gz TVMOSKHKBKOSMZ-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN Cc1cc(N)c(Cl)cc1Nc1cccc2[nH]ncc21 ZINC001174345437 1132803964 /nfs/dbraw/zinc/80/39/64/1132803964.db2.gz APMZVRDWOSZIQI-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN c1n[nH]c2cccc(Nc3ccc4cnccc4c3)c12 ZINC001174345064 1132804230 /nfs/dbraw/zinc/80/42/30/1132804230.db2.gz VYNCHAIYIWWDLU-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN Cc1cc(Nc2cccc3[nH]ncc32)cnc1OC(C)C ZINC001174345110 1132804854 /nfs/dbraw/zinc/80/48/54/1132804854.db2.gz YUYUNHGHZHWABG-UHFFFAOYSA-N 0 1 282.347 3.797 20 0 CHADMN CCOC(=O)c1ccc(Nc2cccc3[nH]ncc32)cc1F ZINC001174346603 1132805995 /nfs/dbraw/zinc/80/59/95/1132805995.db2.gz AIZXMURQRFTXRG-UHFFFAOYSA-N 0 1 299.305 3.622 20 0 CHADMN Nc1cc(Cl)cc(Nc2cccc3[nH]ncc32)c1 ZINC001174348211 1132806567 /nfs/dbraw/zinc/80/65/67/1132806567.db2.gz RJKWWVVMCYMACL-UHFFFAOYSA-N 0 1 258.712 3.542 20 0 CHADMN Nc1ccc(F)c(NC2=CCCN(Cc3ccccc3)C2)c1 ZINC001174395157 1132811443 /nfs/dbraw/zinc/81/14/43/1132811443.db2.gz SHEORIZGYWSLFE-UHFFFAOYSA-N 0 1 297.377 3.610 20 0 CHADMN Fc1ccc(Nc2cc([C@@H]3CCCCN3)no2)c(F)c1F ZINC001159309227 1132827455 /nfs/dbraw/zinc/82/74/55/1132827455.db2.gz RHKSVPSXLCYVKO-VIFPVBQESA-N 0 1 297.280 3.650 20 0 CHADMN Fc1ccc(F)c(Nc2cc([C@H]3CCCCN3)no2)c1F ZINC001159309245 1132827812 /nfs/dbraw/zinc/82/78/12/1132827812.db2.gz RQXKGYOWKVMKHI-SNVBAGLBSA-N 0 1 297.280 3.650 20 0 CHADMN CSc1ccccc1Nc1cc([C@H]2CCCCN2)no1 ZINC001159313021 1132829640 /nfs/dbraw/zinc/82/96/40/1132829640.db2.gz IQAHNEGEBBDVEU-LLVKDONJSA-N 0 1 289.404 3.955 20 0 CHADMN COc1cccc(Nc2cc([C@H]3CCCCN3)no2)c1C ZINC001159313049 1132829925 /nfs/dbraw/zinc/82/99/25/1132829925.db2.gz IWYCXUBVBOSKFP-CYBMUJFWSA-N 0 1 287.363 3.550 20 0 CHADMN Fc1cccc(-n2nccc2Nc2ccc3c[nH]nc3c2)c1 ZINC001174498611 1132863686 /nfs/dbraw/zinc/86/36/86/1132863686.db2.gz HMTKBFWLSJKTBT-UHFFFAOYSA-N 0 1 293.305 3.631 20 0 CHADMN COc1nc(Nc2ccc3cn[nH]c3c2)cc2ccccc21 ZINC001174498926 1132864328 /nfs/dbraw/zinc/86/43/28/1132864328.db2.gz MMVNXBBKSCWSDJ-UHFFFAOYSA-N 0 1 290.326 3.863 20 0 CHADMN c1nn(Cc2ccccc2)cc1Nc1ccc2c[nH]nc2c1 ZINC001174497757 1132865139 /nfs/dbraw/zinc/86/51/39/1132865139.db2.gz IFBXJKSLKUPPBX-UHFFFAOYSA-N 0 1 289.342 3.551 20 0 CHADMN Oc1ccccc1-c1cc(Nc2ccc3cn[nH]c3c2)on1 ZINC001174498458 1132865245 /nfs/dbraw/zinc/86/52/45/1132865245.db2.gz FABLEWLYMMTEHQ-UHFFFAOYSA-N 0 1 292.298 3.667 20 0 CHADMN COc1cc(Nc2cccc3[nH]ncc32)c(F)cc1F ZINC001159573996 1132865444 /nfs/dbraw/zinc/86/54/44/1132865444.db2.gz FWZADHODHWWITN-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN CC(C)CCn1cc(Nc2cccc3[nH]ncc32)cn1 ZINC001159574464 1132865503 /nfs/dbraw/zinc/86/55/03/1132865503.db2.gz SSLABVVBRUZLJU-UHFFFAOYSA-N 0 1 269.352 3.549 20 0 CHADMN c1n[nH]c2cc(Nc3cc(-c4cccnc4)ccn3)ccc12 ZINC001174499492 1132865712 /nfs/dbraw/zinc/86/57/12/1132865712.db2.gz RVIJVGKFFDPIOV-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN CCOc1cccc(Nc2ccc3c[nH]nc3c2)c1 ZINC001159662113 1132885936 /nfs/dbraw/zinc/88/59/36/1132885936.db2.gz REPOYLOLLPYAGV-UHFFFAOYSA-N 0 1 253.305 3.705 20 0 CHADMN COc1cc(C)c(Nc2ccc3c[nH]nc3c2)cc1C ZINC001159662401 1132886230 /nfs/dbraw/zinc/88/62/30/1132886230.db2.gz WJOIKPDPROZPIA-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN CCOc1cc(F)ccc1Nc1ccc2c[nH]nc2c1 ZINC001174500088 1132886701 /nfs/dbraw/zinc/88/67/01/1132886701.db2.gz JOWBBAGLFMSKBJ-UHFFFAOYSA-N 0 1 271.295 3.844 20 0 CHADMN CCCCN(C(=O)CCc1cc(C)[nH]n1)C1CCCCC1 ZINC001159711986 1132897581 /nfs/dbraw/zinc/89/75/81/1132897581.db2.gz BKEZNEBWFHFLSV-UHFFFAOYSA-N 0 1 291.439 3.612 20 0 CHADMN CP(C)(=O)c1ccccc1Nc1ccc2c[nH]nc2c1 ZINC001174502087 1132902268 /nfs/dbraw/zinc/90/22/68/1132902268.db2.gz SJQOVTHSCJYIKC-UHFFFAOYSA-N 0 1 285.287 3.555 20 0 CHADMN Oc1ccc(Cl)c(Nc2ccc3c[nH]nc3c2)c1 ZINC001174501407 1132902428 /nfs/dbraw/zinc/90/24/28/1132902428.db2.gz RCHZXRHNULJTHP-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN Fc1ccc(F)c(Nc2ccc3c[nH]nc3c2)c1F ZINC001174500727 1132902554 /nfs/dbraw/zinc/90/25/54/1132902554.db2.gz VUYFBHXQXSGAGR-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN Oc1cccc(Nc2ccc3c[nH]nc3c2)c1Cl ZINC001174501931 1132902923 /nfs/dbraw/zinc/90/29/23/1132902923.db2.gz NXQBXSAVADNYDJ-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN O=C1CCCc2cc(Nc3ccc4c[nH]nc4c3)ccc2N1 ZINC001174501298 1132902994 /nfs/dbraw/zinc/90/29/94/1132902994.db2.gz LLFMGJWSLINOCR-UHFFFAOYSA-N 0 1 292.342 3.581 20 0 CHADMN Cc1cc(=O)[nH]c2cc(Nc3ccc4c[nH]nc4c3)ccc12 ZINC001174501451 1132903565 /nfs/dbraw/zinc/90/35/65/1132903565.db2.gz TXBVBCYYWZVHEO-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1cccc2ncc(Nc3cccc(-c4cc[nH]n4)c3)n21 ZINC001174506822 1132903950 /nfs/dbraw/zinc/90/39/50/1132903950.db2.gz QPALJPODHNBJKT-UHFFFAOYSA-N 0 1 289.342 3.776 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4nc(N)sc4c3)ccc12 ZINC001159820336 1132911810 /nfs/dbraw/zinc/91/18/10/1132911810.db2.gz FNDOAHPQPZVAFD-UHFFFAOYSA-N 0 1 295.371 3.807 20 0 CHADMN COc1cc(Nc2ccc(N3CCCCC3)nc2)ncc1C ZINC001174522099 1132911846 /nfs/dbraw/zinc/91/18/46/1132911846.db2.gz IKUBUQVUYBPAQV-UHFFFAOYSA-N 0 1 298.390 3.528 20 0 CHADMN COc1ccc(Nc2ccnc3cc(OC)ccc32)c(N)c1 ZINC001159912470 1132922840 /nfs/dbraw/zinc/92/28/40/1132922840.db2.gz LSIFTCIJQDGGMO-UHFFFAOYSA-N 0 1 295.342 3.578 20 0 CHADMN COC(=O)c1cccc([C@H](C)Nc2ccc(C)c(C)n2)c1 ZINC001159954126 1132927479 /nfs/dbraw/zinc/92/74/79/1132927479.db2.gz FRIIZEFKPGZNHR-ZDUSSCGKSA-N 0 1 284.359 3.658 20 0 CHADMN CC[C@H](C)C[C@@H](C)NC(=O)c1cc2c(Cl)[nH]ccc-2n1 ZINC001174600197 1132939180 /nfs/dbraw/zinc/93/91/80/1132939180.db2.gz HNLRSEKPYYHEPA-VHSXEESVSA-N 0 1 293.798 3.771 20 0 CHADMN O=c1[nH]c2ccccc2cc1Nc1ccc2nc[nH]c2c1 ZINC001160224748 1132949528 /nfs/dbraw/zinc/94/95/28/1132949528.db2.gz XLHLJHBPKILMOR-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN Cc1cc(Nc2ccc3nc[nH]c3c2)ccc1N(C)C ZINC001160224349 1132949978 /nfs/dbraw/zinc/94/99/78/1132949978.db2.gz QJQCDMQYPPAUPE-UHFFFAOYSA-N 0 1 266.348 3.681 20 0 CHADMN c1ccc(C2(CNc3ccc4c(n3)CCC4)CC2)cc1 ZINC001160262140 1132953103 /nfs/dbraw/zinc/95/31/03/1132953103.db2.gz DOPZYIONTUZVOH-UHFFFAOYSA-N 0 1 264.372 3.714 20 0 CHADMN Fc1cccc(F)c1CN1CCC[C@@H](C2CCC2)C1 ZINC001174705561 1132959819 /nfs/dbraw/zinc/95/98/19/1132959819.db2.gz VZCKPTDJPUPGFA-CYBMUJFWSA-N 0 1 265.347 3.977 20 0 CHADMN Cc1ccc(NCCc2cc(F)cc(F)c2)nc1C ZINC001160568360 1132974280 /nfs/dbraw/zinc/97/42/80/1132974280.db2.gz FJZPSNSTGAVGKS-UHFFFAOYSA-N 0 1 262.303 3.631 20 0 CHADMN Cc1noc2ccc(CNc3cc(OC(C)C)ccn3)cc12 ZINC001160865449 1132985398 /nfs/dbraw/zinc/98/53/98/1132985398.db2.gz YWODVAGXYBBJSB-UHFFFAOYSA-N 0 1 297.358 3.931 20 0 CHADMN O=C(Nc1ccc(F)c(F)c1O)C1CCC(C2CC2)CC1 ZINC001161073771 1132993321 /nfs/dbraw/zinc/99/33/21/1132993321.db2.gz NJJWQHLRBQELPV-UHFFFAOYSA-N 0 1 295.329 3.825 20 0 CHADMN Cc1csc(CN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000139375969 1133028200 /nfs/dbraw/zinc/02/82/00/1133028200.db2.gz SDYGMOAZMBSOGP-UHFFFAOYSA-N 0 1 290.407 3.518 20 0 CHADMN CCOc1ccnc(N[C@@H](c2cncc(F)c2)C2CC2)c1 ZINC001161815663 1133030833 /nfs/dbraw/zinc/03/08/33/1133030833.db2.gz RIHGXTLPUQHIFJ-MRXNPFEDSA-N 0 1 287.338 3.578 20 0 CHADMN CCOc1cccc(CNc2nccc3cccc(C)c32)n1 ZINC001161891896 1133038349 /nfs/dbraw/zinc/03/83/49/1133038349.db2.gz COEZPNMBWBKYCI-UHFFFAOYSA-N 0 1 293.370 3.949 20 0 CHADMN Cc1ccc(NC2(CC3CCC3)CCOCC2)nc1C ZINC001161920303 1133039541 /nfs/dbraw/zinc/03/95/41/1133039541.db2.gz MLHLEFRRZCYEJS-UHFFFAOYSA-N 0 1 274.408 3.850 20 0 CHADMN FC(F)(F)c1cnccc1NCC1CCCCC1 ZINC001161994319 1133047684 /nfs/dbraw/zinc/04/76/84/1133047684.db2.gz UUQCWRYEDXQIRK-UHFFFAOYSA-N 0 1 258.287 3.515 20 0 CHADMN CC(C)(C)N1CC(Nc2ccc3c(Cl)cccc3n2)C1 ZINC001162222005 1133060842 /nfs/dbraw/zinc/06/08/42/1133060842.db2.gz YNCOMFCRYJFXLF-UHFFFAOYSA-N 0 1 289.810 3.783 20 0 CHADMN CN(C(=O)c1[nH]nc2ccccc21)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001162242314 1133064026 /nfs/dbraw/zinc/06/40/26/1133064026.db2.gz IYEISDYQWHKWDH-UKRRQHHQSA-N 0 1 299.418 3.850 20 0 CHADMN Cc1ccnc(NC[C@@H]2CCCc3ccccc32)c1 ZINC001162551361 1133090953 /nfs/dbraw/zinc/09/09/53/1133090953.db2.gz HVZJJRCXWYQIII-HNNXBMFYSA-N 0 1 252.361 3.922 20 0 CHADMN Cc1c2nc[nH]c2ccc1NC[C@H]1CCC(F)(F)C1 ZINC001162647787 1133098988 /nfs/dbraw/zinc/09/89/88/1133098988.db2.gz GPGLVMNWSQYHAA-JTQLQIEISA-N 0 1 265.307 3.719 20 0 CHADMN CCOc1ccnc(N[C@H]2CCc3ccc(C)cc32)c1 ZINC001162824032 1133114462 /nfs/dbraw/zinc/11/44/62/1133114462.db2.gz LMMXIDLPIZFPLV-INIZCTEOSA-N 0 1 268.360 3.888 20 0 CHADMN Cc1cnc(N[C@H](c2ccccc2)c2cccnn2)cc1C ZINC001163108910 1133130592 /nfs/dbraw/zinc/13/05/92/1133130592.db2.gz NPIRTDAOQLOTAY-GOSISDBHSA-N 0 1 290.370 3.690 20 0 CHADMN FC(F)(F)c1cccc(CNc2ccc3c(n2)CCC3)n1 ZINC001163181570 1133134255 /nfs/dbraw/zinc/13/42/55/1133134255.db2.gz ZDWFAPWOJBFPPA-UHFFFAOYSA-N 0 1 293.292 3.596 20 0 CHADMN Cc1cccc2ccnc(N[C@@H](C)[C@@H]3CCCO3)c12 ZINC001163482016 1133152247 /nfs/dbraw/zinc/15/22/47/1133152247.db2.gz DHJRYPFBQRDWIE-JSGCOSHPSA-N 0 1 256.349 3.523 20 0 CHADMN CCOc1cccc(CCNc2cn3ccnc3cc2C)c1 ZINC001163714673 1133167117 /nfs/dbraw/zinc/16/71/17/1133167117.db2.gz XUAUFUAHRULCAX-UHFFFAOYSA-N 0 1 295.386 3.696 20 0 CHADMN Cc1cc2ccccc2c(N(C)C2CC(F)(F)C2)n1 ZINC001163768210 1133173940 /nfs/dbraw/zinc/17/39/40/1133173940.db2.gz GTSUULDLCVQTMU-UHFFFAOYSA-N 0 1 262.303 3.777 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(Br)cc2N)[C@H]1C ZINC000252184352 1133190380 /nfs/dbraw/zinc/19/03/80/1133190380.db2.gz QOIKYOVYDXPBHD-MNOVXSKESA-N 0 1 297.240 3.652 20 0 CHADMN Cc1ccnc(N[C@@H](c2cccnc2)C(F)(F)F)c1C ZINC001164176000 1133203671 /nfs/dbraw/zinc/20/36/71/1133203671.db2.gz NLLRRHKKJHRTFO-LBPRGKRZSA-N 0 1 281.281 3.809 20 0 CHADMN CCc1ncc(CNc2nc3cc(C)ccc3s2)[nH]1 ZINC001164243440 1133209450 /nfs/dbraw/zinc/20/94/50/1133209450.db2.gz OTUUWHWJEIKJLS-UHFFFAOYSA-N 0 1 272.377 3.502 20 0 CHADMN CC(C)[C@@H](O)CCSc1nc2ccc(Cl)cc2[nH]1 ZINC001164446963 1133219666 /nfs/dbraw/zinc/21/96/66/1133219666.db2.gz CAYKPHYEBMLACP-LBPRGKRZSA-N 0 1 284.812 3.715 20 0 CHADMN CC(C)(C)c1n[nH]c(S[C@@H]2CCC(C)(C)C2)n1 ZINC001165488136 1133243548 /nfs/dbraw/zinc/24/35/48/1133243548.db2.gz MNIRSUIWRFVBBD-SECBINFHSA-N 0 1 253.415 3.773 20 0 CHADMN CC(C)(C)c1nc(S[C@@H]2CCC(C)(C)C2)n[nH]1 ZINC001165488136 1133243552 /nfs/dbraw/zinc/24/35/52/1133243552.db2.gz MNIRSUIWRFVBBD-SECBINFHSA-N 0 1 253.415 3.773 20 0 CHADMN COc1ccc([C@H](C)SCc2[nH]ncc2C)cc1 ZINC001165584187 1133246783 /nfs/dbraw/zinc/24/67/83/1133246783.db2.gz IEZZHEWTYBMAEE-NSHDSACASA-N 0 1 262.378 3.721 20 0 CHADMN FC(F)n1cccc1CN[C@@H](c1ccccn1)C1CCC1 ZINC001206706474 1133248874 /nfs/dbraw/zinc/24/88/74/1133248874.db2.gz CHGBLQSWMLVTMN-OAHLLOKOSA-N 0 1 291.345 3.909 20 0 CHADMN COc1ccc2c(ccnc2N2CCC[C@H](C)[C@H]2C)c1 ZINC001166611182 1133275505 /nfs/dbraw/zinc/27/55/05/1133275505.db2.gz RQSRZSAEANSCBU-QWHCGFSZSA-N 0 1 270.376 3.868 20 0 CHADMN Cc1ccc(N(C)CCc2ccc(F)cc2)nc1C ZINC001166819743 1133288827 /nfs/dbraw/zinc/28/88/27/1133288827.db2.gz GHAFKIBEMNLFMQ-UHFFFAOYSA-N 0 1 258.340 3.516 20 0 CHADMN Cc1cnc(N2CCC(Sc3ccncc3)CC2)cc1C ZINC001166989938 1133295911 /nfs/dbraw/zinc/29/59/11/1133295911.db2.gz QKFMRHNDMFIIEC-UHFFFAOYSA-N 0 1 299.443 3.855 20 0 CHADMN COc1cccc([C@@H]2CSCCN2Cc2ccccc2)c1 ZINC001203315076 1133313788 /nfs/dbraw/zinc/31/37/88/1133313788.db2.gz KUGFOMCSTPNXHR-SFHVURJKSA-N 0 1 299.439 3.985 20 0 CHADMN COc1cccc([C@H]2CSCCN2Cc2ccccc2)c1 ZINC001203315075 1133313843 /nfs/dbraw/zinc/31/38/43/1133313843.db2.gz KUGFOMCSTPNXHR-GOSISDBHSA-N 0 1 299.439 3.985 20 0 CHADMN Cc1ccccc1O[C@H]1CCN(Cc2ccccc2F)C1 ZINC001203353363 1133317145 /nfs/dbraw/zinc/31/71/45/1133317145.db2.gz XERJPDOQBFGGNO-INIZCTEOSA-N 0 1 285.362 3.787 20 0 CHADMN COC[C@@]12CCC[C@@H]1CN(Cc1c(F)cccc1Cl)C2 ZINC001203403105 1133322632 /nfs/dbraw/zinc/32/26/32/1133322632.db2.gz IFHJJRMHNWIHDN-WBMJQRKESA-N 0 1 297.801 3.728 20 0 CHADMN COC(C)(C)[C@@H]1CCCN1Cc1c(F)cccc1Cl ZINC001203406976 1133322933 /nfs/dbraw/zinc/32/29/33/1133322933.db2.gz WUWKBYQGWJJJCR-AWEZNQCLSA-N 0 1 285.790 3.869 20 0 CHADMN COc1ccc(CN2Cc3ccccc3[C@@H](C)C2)c(OC)c1 ZINC001203470727 1133331310 /nfs/dbraw/zinc/33/13/10/1133331310.db2.gz DVCYCXRYZWSJQH-AWEZNQCLSA-N 0 1 297.398 3.823 20 0 CHADMN c1[nH]nc2cc(NC[C@@H]3C[C@H]3c3ccccc3)ccc12 ZINC001203478688 1133332985 /nfs/dbraw/zinc/33/29/85/1133332985.db2.gz GXEYMDDKDOGSOV-HOCLYGCPSA-N 0 1 263.344 3.779 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cnn(C(F)F)c1 ZINC001203525014 1133335053 /nfs/dbraw/zinc/33/50/53/1133335053.db2.gz MOXNXJCSXCHOEG-UHFFFAOYSA-N 0 1 290.273 3.579 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cc(F)ccc1CO ZINC001203528300 1133336775 /nfs/dbraw/zinc/33/67/75/1133336775.db2.gz LMZWSAIEPOVAJQ-UHFFFAOYSA-N 0 1 298.317 3.618 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1c(N)cccc1OC ZINC001203528739 1133337721 /nfs/dbraw/zinc/33/77/21/1133337721.db2.gz WFQMZZZMVYQROG-UHFFFAOYSA-N 0 1 295.342 3.578 20 0 CHADMN [O-]c1ccc(C[NH2+]Cc2cncc3ccccc32)cc1Cl ZINC001203559112 1133340039 /nfs/dbraw/zinc/34/00/39/1133340039.db2.gz CTUQJJBGQDUYHO-UHFFFAOYSA-N 0 1 298.773 3.884 20 0 CHADMN FC[C@@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 ZINC001203693331 1133354641 /nfs/dbraw/zinc/35/46/41/1133354641.db2.gz WDZWZAVFWPREEJ-NSHDSACASA-N 0 1 275.289 3.887 20 0 CHADMN COc1ccc(CN(C)Cc2cccnc2C)c(C)c1C ZINC001203723455 1133358280 /nfs/dbraw/zinc/35/82/80/1133358280.db2.gz KICKZQATOOMWKA-UHFFFAOYSA-N 0 1 284.403 3.647 20 0 CHADMN COc1ccc(CN2CCc3c(O)cccc3C2)c(C)c1C ZINC001203715915 1133359035 /nfs/dbraw/zinc/35/90/35/1133359035.db2.gz LFARAAOTHADQKI-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN COc1ccc(CN2CCc3sccc3C2)c(C)c1C ZINC001203715315 1133359229 /nfs/dbraw/zinc/35/92/29/1133359229.db2.gz FLKCFVNHOUJJOT-UHFFFAOYSA-N 0 1 287.428 3.932 20 0 CHADMN Cc1ccc(CN2CC[C@@](C)(F)[C@@H](F)C2)c(C)c1 ZINC001203730271 1133361237 /nfs/dbraw/zinc/36/12/37/1133361237.db2.gz YRMCIYHKCOIDMP-LSDHHAIUSA-N 0 1 253.336 3.575 20 0 CHADMN Cc1ccc(CN2CCO[C@@H](Cc3ccccc3)C2)c(C)c1 ZINC001203739766 1133362647 /nfs/dbraw/zinc/36/26/47/1133362647.db2.gz OZIJUCQMQHNVKX-FQEVSTJZSA-N 0 1 295.426 3.747 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc3c2OCO3)c(C)c1 ZINC001203744471 1133364250 /nfs/dbraw/zinc/36/42/50/1133364250.db2.gz FGJGCYRKVYOEMG-UHFFFAOYSA-N 0 1 283.371 3.664 20 0 CHADMN Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001203786632 1133368047 /nfs/dbraw/zinc/36/80/47/1133368047.db2.gz NERSFIKFAWDBHW-QGZVFWFLSA-N 0 1 285.362 3.787 20 0 CHADMN C[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCC[C@@H]1O ZINC001203803997 1133371114 /nfs/dbraw/zinc/37/11/14/1133371114.db2.gz JSDXBIPGDGCSEB-HZMBPMFUSA-N 0 1 288.218 3.586 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(Cl)c(Cl)c2)CCC[C@@H]1O ZINC001203803997 1133371110 /nfs/dbraw/zinc/37/11/10/1133371110.db2.gz JSDXBIPGDGCSEB-HZMBPMFUSA-N 0 1 288.218 3.586 20 0 CHADMN COc1ccc(Oc2cccc(CN3CC=CC3)c2)cc1 ZINC001203813734 1133374474 /nfs/dbraw/zinc/37/44/74/1133374474.db2.gz MMEIEFDBWJXGDH-UHFFFAOYSA-N 0 1 281.355 3.859 20 0 CHADMN Oc1cccc(CN2CCSc3ccccc3C2)c1 ZINC001203867774 1133376359 /nfs/dbraw/zinc/37/63/59/1133376359.db2.gz QWKHSBVPMXRZAS-UHFFFAOYSA-N 0 1 271.385 3.500 20 0 CHADMN FC[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC001203886045 1133379655 /nfs/dbraw/zinc/37/96/55/1133379655.db2.gz MNVJUQOUEYMSQH-LBPRGKRZSA-N 0 1 275.289 3.887 20 0 CHADMN FC[C@@]1(C(F)(F)F)CCN(Cc2ccc(F)cc2)C1 ZINC001203912867 1133383479 /nfs/dbraw/zinc/38/34/79/1133383479.db2.gz HPYUIVPZJHKTSL-LBPRGKRZSA-N 0 1 279.252 3.550 20 0 CHADMN COC[C@H]1CCN1Cc1ccc(Oc2ccccc2)cc1 ZINC001203943638 1133387804 /nfs/dbraw/zinc/38/78/04/1133387804.db2.gz INRQYASESJDSHR-MRXNPFEDSA-N 0 1 283.371 3.700 20 0 CHADMN COc1ccc(CN2CCCC(=O)[C@@H](C)C2)c2ccccc12 ZINC001203991808 1133395376 /nfs/dbraw/zinc/39/53/76/1133395376.db2.gz NIGPVHUVRXWGHW-AWEZNQCLSA-N 0 1 297.398 3.649 20 0 CHADMN COc1ccc2ccccc2c1CN1CCCCC12COC2 ZINC001203990193 1133395414 /nfs/dbraw/zinc/39/54/14/1133395414.db2.gz SLPSALDDFAHPFY-UHFFFAOYSA-N 0 1 297.398 3.603 20 0 CHADMN CC(C)[C@@H]1C[C@H]1NCc1csc(C(C)(C)C)n1 ZINC001204128960 1133409198 /nfs/dbraw/zinc/40/91/98/1133409198.db2.gz ODCWJIFXCXSWAL-NWDGAFQWSA-N 0 1 252.427 3.575 20 0 CHADMN CCN(Cc1ccc(SC)cc1)Cc1cccnc1 ZINC001204141914 1133410260 /nfs/dbraw/zinc/41/02/60/1133410260.db2.gz ILWNZQCYLFIVFO-UHFFFAOYSA-N 0 1 272.417 3.826 20 0 CHADMN F[C@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1 ZINC001204137373 1133410292 /nfs/dbraw/zinc/41/02/92/1133410292.db2.gz XOFYDWPWXLXGAK-KRWDZBQOSA-N 0 1 255.336 3.897 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2)Cc2ccccc21 ZINC001204150232 1133411926 /nfs/dbraw/zinc/41/19/26/1133411926.db2.gz BVECMEZNQGYSGA-CYBMUJFWSA-N 0 1 281.355 3.504 20 0 CHADMN CC(C)c1ccc(CN2CCCCC23COC3)cc1 ZINC001204165646 1133413179 /nfs/dbraw/zinc/41/31/79/1133413179.db2.gz HNTHANJSTMZQMU-UHFFFAOYSA-N 0 1 259.393 3.565 20 0 CHADMN CN(CCc1cccs1)Cc1c(Cl)n[nH]c1C1CC1 ZINC001204212253 1133419397 /nfs/dbraw/zinc/41/93/97/1133419397.db2.gz HZDITEVQPDQYQG-UHFFFAOYSA-N 0 1 295.839 3.677 20 0 CHADMN C[C@]1(F)CCCN(Cc2ccc(F)cc2F)CC1 ZINC001204207188 1133420039 /nfs/dbraw/zinc/42/00/39/1133420039.db2.gz GOSBMMVURXKWHD-AWEZNQCLSA-N 0 1 257.299 3.679 20 0 CHADMN CCN(Cc1cccc(OC)c1)Cc1ccc(F)c(F)c1 ZINC001204228758 1133421741 /nfs/dbraw/zinc/42/17/41/1133421741.db2.gz XQMRCARXDARERD-UHFFFAOYSA-N 0 1 291.341 3.996 20 0 CHADMN CCCn1cc(CN2CCC[C@@H]2c2cccc(C)c2C)nn1 ZINC001204250394 1133424127 /nfs/dbraw/zinc/42/41/27/1133424127.db2.gz RNIAKFYRPZSTNM-GOSISDBHSA-N 0 1 298.434 3.642 20 0 CHADMN COc1cccc(OC)c1CN(C)CCc1ccc(C)cc1 ZINC001204252418 1133425885 /nfs/dbraw/zinc/42/58/85/1133425885.db2.gz GQARNPDBLPXGLN-UHFFFAOYSA-N 0 1 299.414 3.687 20 0 CHADMN Fc1ccc(CN2C[C@H]3[C@H](CC3(F)F)C2)cc1Cl ZINC001204281192 1133426846 /nfs/dbraw/zinc/42/68/46/1133426846.db2.gz VTDZPCUPNFLSDA-ZJUUUORDSA-N 0 1 275.701 3.566 20 0 CHADMN Fc1ccc(CN2CC3CCC2CC3)cc1Cl ZINC001204284967 1133428827 /nfs/dbraw/zinc/42/88/27/1133428827.db2.gz ZCZUOXILIGTXDZ-UHFFFAOYSA-N 0 1 253.748 3.854 20 0 CHADMN Cc1[nH]c2ccccc2c1C[N@H+](C)Cc1ccc(C)nc1 ZINC001204293108 1133431041 /nfs/dbraw/zinc/43/10/41/1133431041.db2.gz USBMXDMWCJWVGX-UHFFFAOYSA-N 0 1 279.387 3.812 20 0 CHADMN CCCOc1ccc(CN2CC[C@@H](C(F)(F)F)C2)cc1 ZINC001204309375 1133433377 /nfs/dbraw/zinc/43/33/77/1133433377.db2.gz SRMGEMLJRUNZTP-CYBMUJFWSA-N 0 1 287.325 3.860 20 0 CHADMN CCCOc1ccc(CN2CCc3cc(O)ccc3C2)cc1 ZINC001204308338 1133433950 /nfs/dbraw/zinc/43/39/50/1133433950.db2.gz VOEDTOSMVHXTQU-UHFFFAOYSA-N 0 1 297.398 3.739 20 0 CHADMN Cc1cnc2c(c1)CN(Cc1ccc(C)c(C)c1)CC2 ZINC001204357126 1133440260 /nfs/dbraw/zinc/44/02/60/1133440260.db2.gz OYQPTYZWSUPFJN-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN COc1cc(Cl)c(CN(C)CC(C)(C)C)cc1OC ZINC001204374010 1133441065 /nfs/dbraw/zinc/44/10/65/1133441065.db2.gz DQGHCWPOTQTREQ-UHFFFAOYSA-N 0 1 285.815 3.835 20 0 CHADMN CN(Cc1ccc(OC(F)(F)F)cc1)C1CC(F)(F)C1 ZINC001204413484 1133444329 /nfs/dbraw/zinc/44/43/29/1133444329.db2.gz KKVSEVWJUHYLCG-UHFFFAOYSA-N 0 1 295.251 3.815 20 0 CHADMN Fc1ccc(CN2CCC[C@H](F)CC2)c(Cl)c1 ZINC001204435264 1133447974 /nfs/dbraw/zinc/44/79/74/1133447974.db2.gz VWRCDFMTQKAQEE-NSHDSACASA-N 0 1 259.727 3.803 20 0 CHADMN CC(C)Oc1ccc(CN2CC(C)(C)OC(C)(C)C2)cc1 ZINC001204458233 1133450458 /nfs/dbraw/zinc/45/04/58/1133450458.db2.gz YKQIELIHZDEOGU-UHFFFAOYSA-N 0 1 291.435 3.863 20 0 CHADMN Fc1cc(C(F)(F)F)ccc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001204473255 1133451490 /nfs/dbraw/zinc/45/14/90/1133451490.db2.gz YYIJJRQXFANBAN-XHVZSJERSA-N 0 1 291.263 3.777 20 0 CHADMN F[C@@H]1CCCCN(Cc2ccc3ccccc3n2)C1 ZINC001204499658 1133453118 /nfs/dbraw/zinc/45/31/18/1133453118.db2.gz LSWAJLSGUUDHKH-CQSZACIVSA-N 0 1 258.340 3.559 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccc(C)nc2)oc1C ZINC001204535872 1133459409 /nfs/dbraw/zinc/45/94/09/1133459409.db2.gz ABCMEZKSQGDSPR-KRWDZBQOSA-N 0 1 270.376 3.937 20 0 CHADMN Cc1cc(CN2CCOC[C@@H]2C2CCCCC2)oc1C ZINC001204539882 1133459427 /nfs/dbraw/zinc/45/94/27/1133459427.db2.gz RZDAPYFAIVYTLE-QGZVFWFLSA-N 0 1 277.408 3.678 20 0 CHADMN CN(Cc1cc(F)ccc1Br)C(C)(C)C ZINC001204541394 1133461241 /nfs/dbraw/zinc/46/12/41/1133461241.db2.gz JRTLRIDARAMWKV-UHFFFAOYSA-N 0 1 274.177 3.819 20 0 CHADMN COc1cc(CN2CCc3ccccc3[C@H]2C)ccc1F ZINC001204556111 1133461264 /nfs/dbraw/zinc/46/12/64/1133461264.db2.gz WZGWUOPQBZSEKB-CYBMUJFWSA-N 0 1 285.362 3.954 20 0 CHADMN Cc1cc(CN2CCc3cc(C)ccc3C2)oc1C ZINC001204542612 1133461295 /nfs/dbraw/zinc/46/12/95/1133461295.db2.gz YRZSNEYIWRODLR-UHFFFAOYSA-N 0 1 255.361 3.763 20 0 CHADMN Fc1ccc(C[C@@H]2CCCN(Cc3nccs3)C2)cc1 ZINC001204548266 1133461387 /nfs/dbraw/zinc/46/13/87/1133461387.db2.gz FTNISFTZFOCADM-AWEZNQCLSA-N 0 1 290.407 3.737 20 0 CHADMN CC(C)OC(=O)[C@H](C)N(C)C[C@H](C)CC1CCCCC1 ZINC001204592323 1133465105 /nfs/dbraw/zinc/46/51/05/1133465105.db2.gz LSBWDYPXBXXISU-CABCVRRESA-N 0 1 283.456 3.865 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1Cc1cn(C2CC2)cn1 ZINC001204657253 1133472477 /nfs/dbraw/zinc/47/24/77/1133472477.db2.gz CWEWQLFCDOSVJS-SFHVURJKSA-N 0 1 281.403 3.864 20 0 CHADMN CN(Cc1cn[nH]c1)Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001204666616 1133473392 /nfs/dbraw/zinc/47/33/92/1133473392.db2.gz WYNKXCIAZBQWHD-UHFFFAOYSA-N 0 1 281.403 3.797 20 0 CHADMN C[C@@H]1[C@H](C)OCCN1CCc1ccc(C(C)(C)C)cc1 ZINC001204817180 1133488546 /nfs/dbraw/zinc/48/85/46/1133488546.db2.gz RDWAQCHCGBHWLV-CABCVRRESA-N 0 1 275.436 3.636 20 0 CHADMN Clc1ccc2c(c1)CN(Cc1cccc3c1CCN3)CC2 ZINC001204854000 1133492655 /nfs/dbraw/zinc/49/26/55/1133492655.db2.gz HDCJLPCFHQRABZ-UHFFFAOYSA-N 0 1 298.817 3.866 20 0 CHADMN CN[C@H](c1nc(-c2cc(F)ccc2Cl)no1)C(C)(C)C ZINC001204889011 1133496329 /nfs/dbraw/zinc/49/63/29/1133496329.db2.gz NYNWNCIUCWRKHG-LLVKDONJSA-N 0 1 297.761 3.836 20 0 CHADMN CCc1[nH]nc(Cl)c1CN1CCC(C)(CC)CC1 ZINC001204908977 1133498445 /nfs/dbraw/zinc/49/84/45/1133498445.db2.gz UERYVCFZWHMXMZ-UHFFFAOYSA-N 0 1 269.820 3.638 20 0 CHADMN CCC(CC)CO[C@@H]1CC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001204938988 1133503441 /nfs/dbraw/zinc/50/34/41/1133503441.db2.gz LYIIYPPOMIMPFJ-GDBMZVCRSA-N 0 1 276.424 3.670 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1ccc(CO)c(C)c1C ZINC001204962552 1133507665 /nfs/dbraw/zinc/50/76/65/1133507665.db2.gz KVNSQLPRMLGSFW-UHFFFAOYSA-N 0 1 266.344 3.647 20 0 CHADMN CCOc1ccc(CN(C)[C@@H](C)c2ccccc2)o1 ZINC001205157286 1133538179 /nfs/dbraw/zinc/53/81/79/1133538179.db2.gz ZJOWFOXMUPWRJK-ZDUSSCGKSA-N 0 1 259.349 3.871 20 0 CHADMN Cc1cc(CN2C[C@@H](CF)[C@H](C(F)(F)F)C2)ccc1F ZINC001205162809 1133539778 /nfs/dbraw/zinc/53/97/78/1133539778.db2.gz WOPFKJYMZSYDCJ-VXGBXAGGSA-N 0 1 293.279 3.714 20 0 CHADMN Cc1ccc(CN2CC[C@@H](OCc3ccccc3)C2)cc1F ZINC001205228492 1133547267 /nfs/dbraw/zinc/54/72/67/1133547267.db2.gz WVLZAGYMNWYVNT-GOSISDBHSA-N 0 1 299.389 3.925 20 0 CHADMN Oc1ccc(CN2CCC(c3ccsc3)CC2)cc1F ZINC001205450928 1133578272 /nfs/dbraw/zinc/57/82/72/1133578272.db2.gz XTXTWRPJUHFFRQ-UHFFFAOYSA-N 0 1 291.391 3.972 20 0 CHADMN CC[C@H](C)N(CC(=O)OC)C[C@H](C)c1cccc(Cl)c1 ZINC001205562727 1133588514 /nfs/dbraw/zinc/58/85/14/1133588514.db2.gz VZEKFQRBQSIUFM-STQMWFEESA-N 0 1 297.826 3.717 20 0 CHADMN COc1ccccc1C[N@@H+](C)Cc1ccc2[nH]ccc2c1 ZINC001205593750 1133592730 /nfs/dbraw/zinc/59/27/30/1133592730.db2.gz JPIXHZGQZCJMEO-UHFFFAOYSA-N 0 1 280.371 3.809 20 0 CHADMN COc1ccccc1CN(C)Cc1ccc2[nH]ccc2c1 ZINC001205593750 1133592733 /nfs/dbraw/zinc/59/27/33/1133592733.db2.gz JPIXHZGQZCJMEO-UHFFFAOYSA-N 0 1 280.371 3.809 20 0 CHADMN Cc1ccc(F)c(CN2CCc3ccccc3C2)c1 ZINC001205611906 1133595556 /nfs/dbraw/zinc/59/55/56/1133595556.db2.gz CZVHSMLYUGXDDJ-UHFFFAOYSA-N 0 1 255.336 3.692 20 0 CHADMN Fc1ccc(-c2nccc3[nH]cnc32)c(Cl)c1F ZINC001205623603 1133596076 /nfs/dbraw/zinc/59/60/76/1133596076.db2.gz WRBLADMTNOTXIR-UHFFFAOYSA-N 0 1 265.650 3.557 20 0 CHADMN C[C@H](N[C@H]1CCC[C@@H](C)CC1)c1nc(C(C)(C)C)no1 ZINC001205651030 1133598442 /nfs/dbraw/zinc/59/84/42/1133598442.db2.gz ZAUNVRDTFAFCBJ-AGIUHOORSA-N 0 1 279.428 3.987 20 0 CHADMN Cc1cc(Nc2cnc3c(ccn3C)c2)c2ccccc2n1 ZINC001205672406 1133600657 /nfs/dbraw/zinc/60/06/57/1133600657.db2.gz MKQVPPAEQHAOOJ-UHFFFAOYSA-N 0 1 288.354 3.595 20 0 CHADMN COC(=O)c1cnc([C@H](C)N(C)[C@H]2CCCC[C@@H]2C)s1 ZINC001205740041 1133608129 /nfs/dbraw/zinc/60/81/29/1133608129.db2.gz CCTPUMJPYTWVRA-SRVKXCTJSA-N 0 1 296.436 3.501 20 0 CHADMN CC(C)C(CN1C[C@@H](C(F)(F)F)OC[C@@H]1C)C(C)C ZINC001205747809 1133609559 /nfs/dbraw/zinc/60/95/59/1133609559.db2.gz NEEISIDJJFLSGD-AAEUAGOBSA-N 0 1 281.362 3.566 20 0 CHADMN C[C@@H](C1CC1)N(C)Cc1cncc(Cl)c1Cl ZINC001205839054 1133621143 /nfs/dbraw/zinc/62/11/43/1133621143.db2.gz DPRUKDCJKDGSNP-QMMMGPOBSA-N 0 1 259.180 3.619 20 0 CHADMN Clc1ccc(C2CN(C[C@H]3CC3(Cl)Cl)C2)cc1 ZINC001205842237 1133621218 /nfs/dbraw/zinc/62/12/18/1133621218.db2.gz XNIRJSUOHLPMME-LLVKDONJSA-N 0 1 290.621 3.933 20 0 CHADMN c1ccc(CSCCNc2ccc3c(n2)CCC3)cc1 ZINC001205849545 1133622457 /nfs/dbraw/zinc/62/24/57/1133622457.db2.gz RWYQGHZWCWDJTL-UHFFFAOYSA-N 0 1 284.428 3.916 20 0 CHADMN CNC(C)(C)c1nc(-c2cc3ccoc3c(Cl)c2)no1 ZINC001206010555 1133641456 /nfs/dbraw/zinc/64/14/56/1133641456.db2.gz NQRBDVVAIBKDEE-UHFFFAOYSA-N 0 1 291.738 3.591 20 0 CHADMN COC[C@@]12CCC[C@@H]1CN(Cc1cc(Cl)ccc1F)C2 ZINC001206013493 1133641468 /nfs/dbraw/zinc/64/14/68/1133641468.db2.gz HEHOZXIGUXYCRK-CJNGLKHVSA-N 0 1 297.801 3.728 20 0 CHADMN Cc1ccc(/C=C/c2cccc(CN(C)C)n2)cc1 ZINC001206152680 1133664614 /nfs/dbraw/zinc/66/46/14/1133664614.db2.gz DZJJCKONYBRSED-VAWYXSNFSA-N 0 1 252.361 3.622 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2cn(C)cn2)cc1C ZINC001206249266 1133676176 /nfs/dbraw/zinc/67/61/76/1133676176.db2.gz QQBJGIPICHXTNP-SFHVURJKSA-N 0 1 283.419 3.764 20 0 CHADMN CC[C@H]1CCCC[C@@H]1CN1Cc2ccccc2NC(=O)C1 ZINC001206456804 1133704879 /nfs/dbraw/zinc/70/48/79/1133704879.db2.gz PXACDPYPSPGFAA-LSDHHAIUSA-N 0 1 286.419 3.657 20 0 CHADMN Cc1ccnc(N[C@@H]2CC[C@@H]3COCC[C@@H]3C2)c1C1CC1 ZINC001206591899 1133723925 /nfs/dbraw/zinc/72/39/25/1133723925.db2.gz WKSVBKKDYSSECM-BZUAXINKSA-N 0 1 286.419 3.885 20 0 CHADMN Cc1ccc(CCNCc2c(Cl)ccnc2F)cc1C ZINC001206605119 1133726910 /nfs/dbraw/zinc/72/69/10/1133726910.db2.gz LMMINPNYCMJULS-UHFFFAOYSA-N 0 1 292.785 3.823 20 0 CHADMN Cc1ccc2ncc(-c3cc(F)c(O)cc3F)nc2c1 ZINC001206755353 1133742174 /nfs/dbraw/zinc/74/21/74/1133742174.db2.gz JOIYUTWKGVKRSB-UHFFFAOYSA-N 0 1 272.254 3.589 20 0 CHADMN Cc1nnc(-c2cc(F)c(O)cc2F)c2ccccc12 ZINC001206768623 1133745323 /nfs/dbraw/zinc/74/53/23/1133745323.db2.gz ZHDLVROCTLESCC-UHFFFAOYSA-N 0 1 272.254 3.589 20 0 CHADMN CC[C@H](c1ccccc1)N(C)Cc1ccncc1F ZINC001206788898 1133747747 /nfs/dbraw/zinc/74/77/47/1133747747.db2.gz IVLICIFLNPYMQZ-MRXNPFEDSA-N 0 1 258.340 3.804 20 0 CHADMN Cc1nc(CN(C)C(C)(C)Cc2ccccc2)cs1 ZINC001206804963 1133751704 /nfs/dbraw/zinc/75/17/04/1133751704.db2.gz IFCNXFTVBGLUKI-UHFFFAOYSA-N 0 1 274.433 3.905 20 0 CHADMN CCCCCN(C)Cc1cc(-c2ccc(OC)cc2)on1 ZINC001206823929 1133752156 /nfs/dbraw/zinc/75/21/56/1133752156.db2.gz UXPFQRTUELFWTB-UHFFFAOYSA-N 0 1 288.391 3.972 20 0 CHADMN COc1ccc(-c2cc(CN(C)C3CC(C)C3)no2)cc1 ZINC001206826006 1133752291 /nfs/dbraw/zinc/75/22/91/1133752291.db2.gz VDYUFMLOEWLMPX-UHFFFAOYSA-N 0 1 286.375 3.581 20 0 CHADMN Cc1cc(CN2CCC[C@@H](CCc3ccccc3)C2)no1 ZINC001206822434 1133752918 /nfs/dbraw/zinc/75/29/18/1133752918.db2.gz UAYUHDAOTZBMNA-KRWDZBQOSA-N 0 1 284.403 3.828 20 0 CHADMN FC[C@H]1CCCN(Cc2cc(-c3ccc(F)cc3)on2)C1 ZINC001206834127 1133753762 /nfs/dbraw/zinc/75/37/62/1133753762.db2.gz NGBVXADRPZSCOH-GFCCVEGCSA-N 0 1 292.329 3.662 20 0 CHADMN C[C@H]1CN(Cc2cc(-c3ccc(F)cc3)on2)C2(CC2)C1 ZINC001206838610 1133754044 /nfs/dbraw/zinc/75/40/44/1133754044.db2.gz PQUNHECXGDXZPL-GFCCVEGCSA-N 0 1 286.350 3.855 20 0 CHADMN C[C@]1(CF)CCN(Cc2cc(-c3ccc(F)cc3)on2)C1 ZINC001206831863 1133754313 /nfs/dbraw/zinc/75/43/13/1133754313.db2.gz SMLUHLDAILMERH-MRXNPFEDSA-N 0 1 292.329 3.662 20 0 CHADMN Cc1ccnc(CN2CCC(Oc3ccccc3C)CC2)c1 ZINC001206846829 1133755469 /nfs/dbraw/zinc/75/54/69/1133755469.db2.gz FOGWZCIIXWQVJP-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN Cc1cccc(OC2CCN(Cc3cc(C)ccn3)CC2)c1 ZINC001206853494 1133756916 /nfs/dbraw/zinc/75/69/16/1133756916.db2.gz XAFUMQWYMXXRLR-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN Cc1ncsc1CN1CCSc2ccccc2C1 ZINC001206988682 1133758598 /nfs/dbraw/zinc/75/85/98/1133758598.db2.gz BJSWZGQOLPIVCR-UHFFFAOYSA-N 0 1 276.430 3.559 20 0 CHADMN Fc1cncc(CN2CC[C@H](c3ccccc3Cl)C2)c1 ZINC001207024391 1133759567 /nfs/dbraw/zinc/75/95/67/1133759567.db2.gz QHPABXZMJRXJKA-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)Cc1ccc[nH]c1=O ZINC001207008103 1133760270 /nfs/dbraw/zinc/76/02/70/1133760270.db2.gz BGEMFWMWCSAHCM-NSHDSACASA-N 0 1 276.767 3.634 20 0 CHADMN O=c1[nH]cccc1CN1CCC[C@@H]1c1ccc(Cl)s1 ZINC001207005369 1133760381 /nfs/dbraw/zinc/76/03/81/1133760381.db2.gz KJRBSLIPPMYGHS-LLVKDONJSA-N 0 1 294.807 3.839 20 0 CHADMN C[N@@H+](CCc1ccccc1Cl)Cc1ccc(F)cn1 ZINC001207041288 1133762184 /nfs/dbraw/zinc/76/21/84/1133762184.db2.gz TWHJFIMIQSUWMN-UHFFFAOYSA-N 0 1 278.758 3.549 20 0 CHADMN CSc1ccccc1[C@@H]1CCCN1Cc1cnc(C)cn1 ZINC001207081382 1133766123 /nfs/dbraw/zinc/76/61/23/1133766123.db2.gz OLZNWNSRPUEIHK-INIZCTEOSA-N 0 1 299.443 3.844 20 0 CHADMN CCc1nccc(CN2CCC(c3ccc(F)cc3)CC2)n1 ZINC001207086430 1133766455 /nfs/dbraw/zinc/76/64/55/1133766455.db2.gz NTLNAJROCFJAOG-UHFFFAOYSA-N 0 1 299.393 3.558 20 0 CHADMN CC1(C)CCCN1Cc1c(F)cccc1OC(F)F ZINC001207111273 1133769132 /nfs/dbraw/zinc/76/91/32/1133769132.db2.gz FLHNDLGUFKKRRZ-UHFFFAOYSA-N 0 1 273.298 3.802 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3c(F)cccc3OC(F)F)C[C@@H]21 ZINC001207118772 1133769581 /nfs/dbraw/zinc/76/95/81/1133769581.db2.gz RQHSQIHFQVJFDI-PHIMTYICSA-N 0 1 285.309 3.515 20 0 CHADMN Cc1cccc(OC2CCN(Cc3cccnc3C)CC2)c1 ZINC001207154171 1133771446 /nfs/dbraw/zinc/77/14/46/1133771446.db2.gz ADBXORNORQJYGK-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN Fc1nccc(Cl)c1CNCCCCC1CC1 ZINC001207150032 1133772332 /nfs/dbraw/zinc/77/23/32/1133772332.db2.gz ARMBHOGIXHQYKC-UHFFFAOYSA-N 0 1 256.752 3.544 20 0 CHADMN Cc1cncc(CN2CCC[C@@H]2c2ccccc2F)c1 ZINC001207157074 1133773921 /nfs/dbraw/zinc/77/39/21/1133773921.db2.gz VGVAUHBNPLBEJW-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN C[C@@H]1CN(CC(C)(C)Sc2ccc(Cl)cc2)CCO1 ZINC001207295677 1133790098 /nfs/dbraw/zinc/79/00/98/1133790098.db2.gz ZBZIKSNYMMSQGE-GFCCVEGCSA-N 0 1 299.867 3.931 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1CCc1c(Cl)ncnc1Cl ZINC001207323943 1133792310 /nfs/dbraw/zinc/79/23/10/1133792310.db2.gz KDNZPPCBTODCNS-AOOOYVTPSA-N 0 1 288.222 3.589 20 0 CHADMN C[C@H](CC1CCCCC1)CN1CCO[C@@H](C(F)F)C1 ZINC001207448693 1133802394 /nfs/dbraw/zinc/80/23/94/1133802394.db2.gz LTNKQAZASAEKOY-TZMCWYRMSA-N 0 1 275.383 3.559 20 0 CHADMN O=C1CCN(CCCc2ccccc2F)[C@@H]2CCCC[C@H]12 ZINC001207490615 1133808156 /nfs/dbraw/zinc/80/81/56/1133808156.db2.gz VCHOUJZYIFVDMD-DOTOQJQBSA-N 0 1 289.394 3.592 20 0 CHADMN Cc1cccc(CCN2CCCC(F)(F)[C@H](F)C2)c1 ZINC001207533172 1133816693 /nfs/dbraw/zinc/81/66/93/1133816693.db2.gz SPLJSPAJEDLBEH-CQSZACIVSA-N 0 1 271.326 3.607 20 0 CHADMN Cc1cccc(CC[N@H+]2CCc3nc(Cl)ccc3C2)c1 ZINC001207538762 1133818423 /nfs/dbraw/zinc/81/84/23/1133818423.db2.gz SLAKVKVPUOUIFH-UHFFFAOYSA-N 0 1 286.806 3.644 20 0 CHADMN CCOc1cncc(CN(C)Cc2c(C)cccc2C)c1 ZINC001207679974 1133838560 /nfs/dbraw/zinc/83/85/60/1133838560.db2.gz UNRJRDCHIPIXGN-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN C[C@H]1CCC[C@@H](CN2CC(Oc3ccccc3)C2)C1 ZINC001207865334 1133855326 /nfs/dbraw/zinc/85/53/26/1133855326.db2.gz MOWSOWRFBZGBJL-LSDHHAIUSA-N 0 1 259.393 3.576 20 0 CHADMN Cc1ccc([C@H](C)CCN2CCC[C@H]2c2ncccn2)o1 ZINC001208159192 1133890119 /nfs/dbraw/zinc/89/01/19/1133890119.db2.gz AMFDDAIQIDHEDB-HIFRSBDPSA-N 0 1 285.391 3.709 20 0 CHADMN CC1=C[C@H](C)[C@H](CN(C)[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC001208183203 1133900660 /nfs/dbraw/zinc/90/06/60/1133900660.db2.gz XNDTWICUDRRWOU-KKUMJFAQSA-N 0 1 281.440 3.641 20 0 CHADMN COc1cc2c(cc1OC)CN(CCC1CCCC1)C2 ZINC001208698951 1133928403 /nfs/dbraw/zinc/92/84/03/1133928403.db2.gz OLFVAGWCVUBXLL-UHFFFAOYSA-N 0 1 275.392 3.600 20 0 CHADMN C[C@@]1(F)CCN(CCCc2ccc(F)cc2)C[C@@H]1F ZINC001208769372 1133941965 /nfs/dbraw/zinc/94/19/65/1133941965.db2.gz WGXHQTVVHNBGHR-LSDHHAIUSA-N 0 1 271.326 3.530 20 0 CHADMN FC(F)(F)c1ccccc1CCCN1CCCC12COC2 ZINC001208831854 1133948191 /nfs/dbraw/zinc/94/81/91/1133948191.db2.gz UACFAUOJCAZAMD-UHFFFAOYSA-N 0 1 299.336 3.503 20 0 CHADMN C[C@H]1CN(CCCc2ccc(Cl)c(Cl)c2)CCO1 ZINC001208832785 1133948795 /nfs/dbraw/zinc/94/87/95/1133948795.db2.gz HOPRUWIKBYUHTD-NSHDSACASA-N 0 1 288.218 3.647 20 0 CHADMN CN(CCCc1ccccc1C(F)(F)F)Cc1ccno1 ZINC001208835592 1133950294 /nfs/dbraw/zinc/95/02/94/1133950294.db2.gz ULGCTYXYFHEXEP-UHFFFAOYSA-N 0 1 298.308 3.758 20 0 CHADMN C[C@H]1CN(CCc2ccc(Cl)cc2Cl)CCCO1 ZINC001209077829 1133971828 /nfs/dbraw/zinc/97/18/28/1133971828.db2.gz CCEPCQRMOAPLDP-NSHDSACASA-N 0 1 288.218 3.647 20 0 CHADMN C[C@H]1CCN(CCc2ccc(C(F)(F)F)cc2)CCC1=O ZINC001209121631 1133977560 /nfs/dbraw/zinc/97/75/60/1133977560.db2.gz ANKFSNDJVNTOBN-LBPRGKRZSA-N 0 1 299.336 3.549 20 0 CHADMN CC(C)OC1CN(CCCCCc2ccccc2)C1 ZINC001209235031 1133994424 /nfs/dbraw/zinc/99/44/24/1133994424.db2.gz LLTMZMJIXSBTIO-UHFFFAOYSA-N 0 1 261.409 3.509 20 0 CHADMN Fc1cc(F)c(CCN2CC(c3ccccc3)C2)cc1F ZINC001209253361 1133995701 /nfs/dbraw/zinc/99/57/01/1133995701.db2.gz TZCDEKNIUWRMGD-UHFFFAOYSA-N 0 1 291.316 3.746 20 0 CHADMN CCC[C@H](C(=O)c1ccccc1)N(C)C[C@@H]1C[C@H]1C ZINC001209425898 1134017220 /nfs/dbraw/zinc/01/72/20/1134017220.db2.gz GQPFVERLTMRKGS-VNQPRFMTSA-N 0 1 259.393 3.626 20 0 CHADMN Cc1cccc2c(CN3CC[C@@H](C)[C@H](F)C3)c[nH]c21 ZINC001209482314 1134026233 /nfs/dbraw/zinc/02/62/33/1134026233.db2.gz KDBOGAPPNUJXAB-IAQYHMDHSA-N 0 1 260.356 3.656 20 0 CHADMN CCN(Cc1cccs1)Cc1cc(F)c(O)c(OC)c1 ZINC001209530101 1134035005 /nfs/dbraw/zinc/03/50/05/1134035005.db2.gz FGWFBZRKZWSTMH-UHFFFAOYSA-N 0 1 295.379 3.624 20 0 CHADMN Cc1[nH]c2ncccc2c1CN1CCc2cc(F)ccc2C1 ZINC001209593201 1134041140 /nfs/dbraw/zinc/04/11/40/1134041140.db2.gz PWCREYFVLPBHHX-UHFFFAOYSA-N 0 1 295.361 3.569 20 0 CHADMN Cc1cc(Cl)ncc1CN1CCC[C@](C)(F)CC1 ZINC001209628934 1134043522 /nfs/dbraw/zinc/04/35/22/1134043522.db2.gz ULHQIWNMUQUJRY-AWEZNQCLSA-N 0 1 270.779 3.758 20 0 CHADMN Cc1cc(Cl)ncc1CN1CCCCC12CC2 ZINC001209635107 1134043814 /nfs/dbraw/zinc/04/38/14/1134043814.db2.gz CCJPXMZHCJNLEW-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN COc1cc(CN(Cc2cccc(C)c2C)C2CC2)ccn1 ZINC001209644852 1134044496 /nfs/dbraw/zinc/04/44/96/1134044496.db2.gz GTUMHVBGYCZUKZ-UHFFFAOYSA-N 0 1 296.414 3.872 20 0 CHADMN COc1cc(CN2C[C@H]3CCC[C@@H]3C2)c(F)cc1Cl ZINC001209662061 1134048709 /nfs/dbraw/zinc/04/87/09/1134048709.db2.gz JFJUEFHRLBWRRN-GHMZBOCLSA-N 0 1 283.774 3.720 20 0 CHADMN F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc2cc(Cl)ccc2[nH]1 ZINC001209721310 1134053390 /nfs/dbraw/zinc/05/33/90/1134053390.db2.gz FFMQTDOGXLOICN-BPNCWPANSA-N 0 1 278.758 3.754 20 0 CHADMN Cc1cccn2cc(CN3CCC[C@@H]4CCCC[C@H]43)nc12 ZINC001209740640 1134058979 /nfs/dbraw/zinc/05/89/79/1134058979.db2.gz YJNAPWMXZDMRCQ-DOTOQJQBSA-N 0 1 283.419 3.797 20 0 CHADMN Cc1ccc(Nc2ccc3nc[nH]c3c2)c(Cl)n1 ZINC001209844905 1134077955 /nfs/dbraw/zinc/07/79/55/1134077955.db2.gz RNYJTNCOHKXBCJ-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN c1nc2ccc(Nc3ccc(N4CCCCC4)nc3)cc2[nH]1 ZINC001209842321 1134079074 /nfs/dbraw/zinc/07/90/74/1134079074.db2.gz HOJPZHHJCQDFSG-UHFFFAOYSA-N 0 1 293.374 3.692 20 0 CHADMN Cc1nc(Cl)nc(Cl)c1Nc1ccc2nc[nH]c2c1 ZINC001209842149 1134079514 /nfs/dbraw/zinc/07/95/14/1134079514.db2.gz FFAFILZTQFLJTK-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1nc2sccc2c(Nc2ccc3nc[nH]c3c2)n1 ZINC001209841339 1134079599 /nfs/dbraw/zinc/07/95/99/1134079599.db2.gz JFTZCIVVLPMRDC-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN COc1cccc(Nc2ccc3nc[nH]c3c2)c1Cl ZINC001209847836 1134080298 /nfs/dbraw/zinc/08/02/98/1134080298.db2.gz WJCDZFSVWNULEF-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN CCOc1ccccc1Nc1ccc2nc[nH]c2c1 ZINC001209847971 1134082145 /nfs/dbraw/zinc/08/21/45/1134082145.db2.gz YISYJYRHBYESHO-UHFFFAOYSA-N 0 1 253.305 3.705 20 0 CHADMN Cc1nc2cc(Nc3ccc4nc[nH]c4c3)ccc2o1 ZINC001209847129 1134082579 /nfs/dbraw/zinc/08/25/79/1134082579.db2.gz PCBFEKRITGOFSC-UHFFFAOYSA-N 0 1 264.288 3.756 20 0 CHADMN CCc1ccc(OC)c(Nc2ccc3nc[nH]c3c2)c1 ZINC001209851106 1134082880 /nfs/dbraw/zinc/08/28/80/1134082880.db2.gz HLWOWWYIWJPEKX-UHFFFAOYSA-N 0 1 267.332 3.878 20 0 CHADMN Cc1ccccc1-n1nccc1Nc1ccc2nc[nH]c2c1 ZINC001209849147 1134084284 /nfs/dbraw/zinc/08/42/84/1134084284.db2.gz UXEVMCFDTXDXFD-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN O=c1ccc2cc(Nc3ccc4nc[nH]c4c3)c[nH]c-2c1 ZINC001209849463 1134084875 /nfs/dbraw/zinc/08/48/75/1134084875.db2.gz ZZCUDMRASWWBAZ-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN CNc1cccc(C)c1Nc1ccc2nc[nH]c2c1 ZINC001209851911 1134086101 /nfs/dbraw/zinc/08/61/01/1134086101.db2.gz ZXFQJBLTNFVWQE-UHFFFAOYSA-N 0 1 252.321 3.657 20 0 CHADMN COc1ccc(Nc2ccc3c[nH+]ccc3c2)cc1C(=O)[O-] ZINC001209901092 1134097963 /nfs/dbraw/zinc/09/79/63/1134097963.db2.gz RRHRAAJIIJHJNY-UHFFFAOYSA-N 0 1 294.310 3.685 20 0 CHADMN COc1cc(Cl)ccc1-n1c(N)nc2ccc(C)cc21 ZINC001209905101 1134098921 /nfs/dbraw/zinc/09/89/21/1134098921.db2.gz PGGWRTLIAVGHKX-UHFFFAOYSA-N 0 1 287.750 3.578 20 0 CHADMN COc1ccc(Nc2cccc3cc[nH+]cc32)cc1C(=O)[O-] ZINC001209903468 1134099170 /nfs/dbraw/zinc/09/91/70/1134099170.db2.gz OQXDIZVAZWFGBU-UHFFFAOYSA-N 0 1 294.310 3.685 20 0 CHADMN Cc1ccnc(C(C)C)c1Nc1cnc(N)cc1C ZINC001209965798 1134111072 /nfs/dbraw/zinc/11/10/72/1134111072.db2.gz HLMUHBIQWIVHRO-UHFFFAOYSA-N 0 1 256.353 3.543 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(-c2ccco2)cc1 ZINC001209966919 1134111497 /nfs/dbraw/zinc/11/14/97/1134111497.db2.gz JSQCLOSZHQVYGZ-UHFFFAOYSA-N 0 1 265.316 3.976 20 0 CHADMN Cc1ccc2cc(Nc3cnc(N)cc3C)ccc2n1 ZINC001209966512 1134111671 /nfs/dbraw/zinc/11/16/71/1134111671.db2.gz DBMOJULGDDQGKT-UHFFFAOYSA-N 0 1 264.332 3.572 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(F)ccc1Cl ZINC001209966847 1134111713 /nfs/dbraw/zinc/11/17/13/1134111713.db2.gz GBGJVIBCQQWTFH-UHFFFAOYSA-N 0 1 251.692 3.508 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001209966937 1134111900 /nfs/dbraw/zinc/11/19/00/1134111900.db2.gz KGLIKGBHFREDPQ-UHFFFAOYSA-N 0 1 299.374 3.671 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc2sc(Cl)nc2c1 ZINC001209969692 1134112567 /nfs/dbraw/zinc/11/25/67/1134112567.db2.gz OCYJRQJBTBJNSR-UHFFFAOYSA-N 0 1 290.779 3.979 20 0 CHADMN Cc1ccnc2cc(Nc3cnc(N)cc3C)ccc12 ZINC001209970220 1134112584 /nfs/dbraw/zinc/11/25/84/1134112584.db2.gz XUDJDXKRSYPAKH-UHFFFAOYSA-N 0 1 264.332 3.572 20 0 CHADMN Cc1cc(N)ncc1Nc1cccc2c(Cl)ccnc12 ZINC001209970951 1134112619 /nfs/dbraw/zinc/11/26/19/1134112619.db2.gz LINHXMJODVYEOQ-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1ccccc1-c1ccco1 ZINC001209971163 1134112971 /nfs/dbraw/zinc/11/29/71/1134112971.db2.gz RNBYWZUSHZDEDP-UHFFFAOYSA-N 0 1 265.316 3.976 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(F)c(Cl)c1F ZINC001209968965 1134112988 /nfs/dbraw/zinc/11/29/88/1134112988.db2.gz DZMGSLVRIMVAPM-UHFFFAOYSA-N 0 1 269.682 3.647 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(Cc2cccnc2)cc1 ZINC001209969039 1134113016 /nfs/dbraw/zinc/11/30/16/1134113016.db2.gz IWGOWMJBGSDBLY-UHFFFAOYSA-N 0 1 290.370 3.702 20 0 CHADMN Cc1cc(N)ncc1Nc1ccccc1-c1nccs1 ZINC001209973426 1134113584 /nfs/dbraw/zinc/11/35/84/1134113584.db2.gz ZMRDHLFWAFAUHG-UHFFFAOYSA-N 0 1 282.372 3.839 20 0 CHADMN Cc1cccc(Nc2ccccc2N2CCN(C)CC2)c1F ZINC001210038693 1134130599 /nfs/dbraw/zinc/13/05/99/1134130599.db2.gz ZMNUJLKFHGAPTR-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN Cc1cnc(Cl)c(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210100347 1134145398 /nfs/dbraw/zinc/14/53/98/1134145398.db2.gz LVSKNVDRWMSNGJ-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN CCOc1ncc(Nc2cc3cn[nH]c3cc2C)cc1F ZINC001210100415 1134145474 /nfs/dbraw/zinc/14/54/74/1134145474.db2.gz NARGFFTZTWRFNY-UHFFFAOYSA-N 0 1 286.310 3.548 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(C(F)(F)F)no1 ZINC001210100241 1134145852 /nfs/dbraw/zinc/14/58/52/1134145852.db2.gz JFRHDFWUCIUQPC-UHFFFAOYSA-N 0 1 282.225 3.622 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cnn(C(C)(C)C)c1 ZINC001210100041 1134146148 /nfs/dbraw/zinc/14/61/48/1134146148.db2.gz DYGSJJDZIDXIIU-UHFFFAOYSA-N 0 1 269.352 3.566 20 0 CHADMN COc1cccc(C)c1Nc1cc2cn[nH]c2cc1C ZINC001210102419 1134146943 /nfs/dbraw/zinc/14/69/43/1134146943.db2.gz MVDQNZXGWUZUED-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(F)cc1F ZINC001210102257 1134147150 /nfs/dbraw/zinc/14/71/50/1134147150.db2.gz OBTAYZVCVBWAPK-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(C2OCCO2)cc1 ZINC001210104960 1134147620 /nfs/dbraw/zinc/14/76/20/1134147620.db2.gz FXSIQDLFQXIXBH-UHFFFAOYSA-N 0 1 295.342 3.660 20 0 CHADMN COC(=O)c1cccc(F)c1Nc1cc2cn[nH]c2cc1C ZINC001210105027 1134147714 /nfs/dbraw/zinc/14/77/14/1134147714.db2.gz IFQMTOSNOAIDDF-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1cc2[nH]ncc2cc1N(C)c1cc(Cl)ccc1N ZINC001210104653 1134147951 /nfs/dbraw/zinc/14/79/51/1134147951.db2.gz ACPWJULBWCWWIT-UHFFFAOYSA-N 0 1 286.766 3.875 20 0 CHADMN COc1cc(Nc2cc3cn[nH]c3cc2C)ccc1C(C)=O ZINC001210104970 1134148060 /nfs/dbraw/zinc/14/80/60/1134148060.db2.gz GMHNVFHPWIQQGY-UHFFFAOYSA-N 0 1 295.342 3.826 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(N)cc(Cl)c1 ZINC001210107134 1134148963 /nfs/dbraw/zinc/14/89/63/1134148963.db2.gz WCOIIMYXLROAFV-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN COCOc1cccc(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210105672 1134149241 /nfs/dbraw/zinc/14/92/41/1134149241.db2.gz GHZWDOVMZUJPEB-UHFFFAOYSA-N 0 1 283.331 3.598 20 0 CHADMN Cc1ccc2nc(N)n(-c3cc(Cl)c(F)cc3F)c2c1 ZINC001210108872 1134149979 /nfs/dbraw/zinc/14/99/79/1134149979.db2.gz CDQHPWCGYXWECD-UHFFFAOYSA-N 0 1 293.704 3.848 20 0 CHADMN Cc1ncn(-c2ccc3oc4ccccc4c3c2)c1N ZINC001210639607 1134264769 /nfs/dbraw/zinc/26/47/69/1134264769.db2.gz KIECRFNZLAUEDH-UHFFFAOYSA-N 0 1 263.300 3.662 20 0 CHADMN CC(C)(C)c1nnc(Nc2cnc3sccc3c2)o1 ZINC001210688366 1134274448 /nfs/dbraw/zinc/27/44/48/1134274448.db2.gz QSWBHSGPLLXWKG-UHFFFAOYSA-N 0 1 274.349 3.720 20 0 CHADMN C=C(Nc1cc(NC(C)=O)ccc1OC)c1ccccc1 ZINC001210988017 1134343554 /nfs/dbraw/zinc/34/35/54/1134343554.db2.gz ZZPOPIHVABUEMM-UHFFFAOYSA-N 0 1 282.343 3.736 20 0 CHADMN C=C(Nc1c(Cl)cccc1CO)c1ccccc1 ZINC001210987943 1134344083 /nfs/dbraw/zinc/34/40/83/1134344083.db2.gz WTAYSDFOIDUMQG-UHFFFAOYSA-N 0 1 259.736 3.915 20 0 CHADMN CC(=Nc1cccc2c1CN(C1CC1)C2=O)c1ccccc1 ZINC001210991276 1134345602 /nfs/dbraw/zinc/34/56/02/1134345602.db2.gz SVJANZAPWBPVLL-UHFFFAOYSA-N 0 1 290.366 3.888 20 0 CHADMN CCOc1ccc(F)c(Nc2ccnn2-c2ccncc2)c1 ZINC001211050832 1134357308 /nfs/dbraw/zinc/35/73/08/1134357308.db2.gz MCWOEDMGSHXSKN-UHFFFAOYSA-N 0 1 298.321 3.549 20 0 CHADMN Cn1cncc1Nc1ccccc1-c1ccccc1F ZINC001211248816 1134397909 /nfs/dbraw/zinc/39/79/09/1134397909.db2.gz GGZDYWCJOZBPJE-UHFFFAOYSA-N 0 1 267.307 3.970 20 0 CHADMN COc1ccccc1Oc1ccc(Nc2cncn2C)cc1 ZINC001211248789 1134398382 /nfs/dbraw/zinc/39/83/82/1134398382.db2.gz FMUISGRDVQCQFV-UHFFFAOYSA-N 0 1 295.342 3.965 20 0 CHADMN Cn1cncc1Nc1ccc(CCc2ccccc2)cc1 ZINC001211249633 1134398651 /nfs/dbraw/zinc/39/86/51/1134398651.db2.gz XMZHLKFUIWXFKP-UHFFFAOYSA-N 0 1 277.371 3.949 20 0 CHADMN Cn1cncc1Nc1cc(Cl)ccc1OC(F)(F)F ZINC001211251382 1134399796 /nfs/dbraw/zinc/39/97/96/1134399796.db2.gz ZDGDRYNUESGPEV-UHFFFAOYSA-N 0 1 291.660 3.716 20 0 CHADMN Cn1cncc1Nc1ccc(Cl)c(OC(F)(F)F)c1 ZINC001211251384 1134400133 /nfs/dbraw/zinc/40/01/33/1134400133.db2.gz ZDVVVUHNKMKIOP-UHFFFAOYSA-N 0 1 291.660 3.716 20 0 CHADMN CCC(CC)Oc1cccc(F)c1Nc1cncn1C ZINC001211252622 1134400572 /nfs/dbraw/zinc/40/05/72/1134400572.db2.gz RDVUHYZKQXQXGC-UHFFFAOYSA-N 0 1 277.343 3.870 20 0 CHADMN COc1cc(Nc2cc3ccccc3[nH]2)ncc1C ZINC001211307141 1134406637 /nfs/dbraw/zinc/40/66/37/1134406637.db2.gz PWZNHBUAGDLLRT-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Oc1cc(F)c(-c2c(F)cc(F)cc2F)cc1F ZINC001211338336 1134410259 /nfs/dbraw/zinc/41/02/59/1134410259.db2.gz CMXYQQRTTPIHHU-UHFFFAOYSA-N 0 1 260.161 3.755 20 0 CHADMN Cc1nc2cc(Nc3cc(C)nc(Cl)c3)ccc2[nH]1 ZINC001213072386 1134418139 /nfs/dbraw/zinc/41/81/39/1134418139.db2.gz QQIVWDIAHSEUQA-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN CCOc1cc(Nc2ccc3[nH]c(C)nc3c2)cc(C)n1 ZINC001213072505 1134421049 /nfs/dbraw/zinc/42/10/49/1134421049.db2.gz XJDIUORBKTVMCA-UHFFFAOYSA-N 0 1 282.347 3.717 20 0 CHADMN COc1cc(Nc2ccc3[nH]c(C)nc3c2)cnc1Cl ZINC001213072068 1134421096 /nfs/dbraw/zinc/42/10/96/1134421096.db2.gz AHDDKGIFSJVHPX-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN Cc1nc2cc(Nc3cc(F)cc(N)c3Cl)ccc2[nH]1 ZINC001213077196 1134423025 /nfs/dbraw/zinc/42/30/25/1134423025.db2.gz LKCBCOLIKZJOIN-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN Cc1cc(C)nc(Nc2ccc(-c3ncc[nH]3)cc2)c1 ZINC001213085735 1134424774 /nfs/dbraw/zinc/42/47/74/1134424774.db2.gz UUFVAEHYJANQKT-UHFFFAOYSA-N 0 1 264.332 3.832 20 0 CHADMN CC(C)Cn1cnc(Nc2ccnc(C(C)(C)C)c2)c1 ZINC001213164697 1134432820 /nfs/dbraw/zinc/43/28/20/1134432820.db2.gz YIHRZTTYMHFPKV-UHFFFAOYSA-N 0 1 272.396 3.975 20 0 CHADMN CC(C)(C)c1cc(Nc2ncncc2Cl)ccn1 ZINC001213161021 1134433264 /nfs/dbraw/zinc/43/32/64/1134433264.db2.gz YMXKPLDUJHOLOB-UHFFFAOYSA-N 0 1 262.744 3.566 20 0 CHADMN CC(C)(C)c1cc(Nc2ccnn2CC(F)(F)F)ccn1 ZINC001213164722 1134433563 /nfs/dbraw/zinc/43/35/63/1134433563.db2.gz ZOASGNKNHHNCEQ-UHFFFAOYSA-N 0 1 298.312 3.882 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc(F)c(Cl)c3F)c2c1 ZINC001213198710 1134435599 /nfs/dbraw/zinc/43/55/99/1134435599.db2.gz NJBZSTZQOXVTMT-UHFFFAOYSA-N 0 1 293.704 3.848 20 0 CHADMN CC(C)c1nnc(Nc2ccc(C3CC3)cc2F)o1 ZINC001213454846 1134449454 /nfs/dbraw/zinc/44/94/54/1134449454.db2.gz ROHMAAXHFFFMLB-UHFFFAOYSA-N 0 1 261.300 3.953 20 0 CHADMN CC[C@H](C)c1ccc(NC(=O)CN2CCC[C@H](C)C2)cc1 ZINC000301493183 1134477734 /nfs/dbraw/zinc/47/77/34/1134477734.db2.gz XOFZLWWCUBTXQJ-GJZGRUSLSA-N 0 1 288.435 3.871 20 0 CHADMN Cc1cc(Nc2ccncc2)cc(C)c1OC(C)C ZINC001213690961 1134478255 /nfs/dbraw/zinc/47/82/55/1134478255.db2.gz RPZBXWRAXYSIAB-UHFFFAOYSA-N 0 1 256.349 3.651 20 0 CHADMN Cc1cc2cc(Nc3ccc4nccn4c3)ccc2[nH]1 ZINC001213787245 1134483785 /nfs/dbraw/zinc/48/37/85/1134483785.db2.gz QEUPYAAQPPDEMM-UHFFFAOYSA-N 0 1 262.316 3.868 20 0 CHADMN COc1cccc(-n2c(N)nc3c2cccc3C)c1C1CC1 ZINC001213797236 1134485361 /nfs/dbraw/zinc/48/53/61/1134485361.db2.gz SQAVGJCUVZTJDV-UHFFFAOYSA-N 0 1 293.370 3.802 20 0 CHADMN Cc1cc(Nc2cc(O)ccc2C)c2ccccc2n1 ZINC001214336863 1134530820 /nfs/dbraw/zinc/53/08/20/1134530820.db2.gz FQVUQFYOWQJOIS-UHFFFAOYSA-N 0 1 264.328 3.723 20 0 CHADMN CC(=O)c1cc(Nc2cc(F)c(O)c(Cl)c2)ccc1O ZINC001214490369 1134545207 /nfs/dbraw/zinc/54/52/07/1134545207.db2.gz UXBAGRCGXVYNAS-UHFFFAOYSA-N 0 1 295.697 3.837 20 0 CHADMN Oc1c(Cl)ccc(Nc2csc3nccnc23)c1F ZINC001214793758 1134573037 /nfs/dbraw/zinc/57/30/37/1134573037.db2.gz KGIBLRRQINGYQF-UHFFFAOYSA-N 0 1 295.726 3.933 20 0 CHADMN Oc1c(Cl)ccc(Nc2nccc3cnccc32)c1F ZINC001214795973 1134573160 /nfs/dbraw/zinc/57/31/60/1134573160.db2.gz DFBPGOFGTSZNMX-UHFFFAOYSA-N 0 1 289.697 3.872 20 0 CHADMN Oc1c(Cl)ccc(Nc2cccc(Cl)n2)c1F ZINC001214791015 1134573587 /nfs/dbraw/zinc/57/35/87/1134573587.db2.gz GTIINABSPMVBCN-UHFFFAOYSA-N 0 1 273.094 3.977 20 0 CHADMN Cc1noc(Nc2ccc(Cl)c(O)c2F)c1C ZINC001214791328 1134573778 /nfs/dbraw/zinc/57/37/78/1134573778.db2.gz QWVQYQOZJRDAFY-UHFFFAOYSA-N 0 1 256.664 3.533 20 0 CHADMN Cc1cc(C)nc(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214791061 1134573855 /nfs/dbraw/zinc/57/38/55/1134573855.db2.gz JICAREXYAJMTOG-UHFFFAOYSA-N 0 1 266.703 3.940 20 0 CHADMN CC(=O)Oc1ccc(Nc2ccc(Cl)c(O)c2F)cc1 ZINC001214804002 1134575253 /nfs/dbraw/zinc/57/52/53/1134575253.db2.gz MDUOPBXSVIQBCD-UHFFFAOYSA-N 0 1 295.697 3.854 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccc3nsnc3c2)c1F ZINC001214799020 1134575472 /nfs/dbraw/zinc/57/54/72/1134575472.db2.gz HHUVGNYYOMXELJ-UHFFFAOYSA-N 0 1 295.726 3.933 20 0 CHADMN Oc1c(Cl)ccc(Nc2cccc3c2OCCO3)c1F ZINC001214801796 1134575711 /nfs/dbraw/zinc/57/57/11/1134575711.db2.gz QEUGUEVSOOAZPB-UHFFFAOYSA-N 0 1 295.697 3.700 20 0 CHADMN Oc1c(Cl)ccc(Nc2ccc(F)c(F)c2O)c1F ZINC001214807128 1134576235 /nfs/dbraw/zinc/57/62/35/1134576235.db2.gz UEDIKUQRCMIVDX-UHFFFAOYSA-N 0 1 289.640 3.912 20 0 CHADMN Cc1ccc(Nc2ccc(Cl)c(O)c2F)cc1CO ZINC001214806537 1134576337 /nfs/dbraw/zinc/57/63/37/1134576337.db2.gz GDQJKYFGKIMJIS-UHFFFAOYSA-N 0 1 281.714 3.729 20 0 CHADMN Cn1cnc2c1cccc2Nc1ccc(Cl)c(O)c1F ZINC001214807024 1134576488 /nfs/dbraw/zinc/57/64/88/1134576488.db2.gz QPLRGBRNMAVFBX-UHFFFAOYSA-N 0 1 291.713 3.815 20 0 CHADMN Oc1c(F)cc(F)cc1Nc1ccc(Cl)c(O)c1F ZINC001214806286 1134576880 /nfs/dbraw/zinc/57/68/80/1134576880.db2.gz CYOXMAUWGUXLFT-UHFFFAOYSA-N 0 1 289.640 3.912 20 0 CHADMN C[C@@H](O)c1ccccc1Nc1ccc(Cl)c(O)c1F ZINC001214806862 1134577018 /nfs/dbraw/zinc/57/70/18/1134577018.db2.gz MTKZPUTWCSGOGK-MRVPVSSYSA-N 0 1 281.714 3.982 20 0 CHADMN Clc1nc2ccccc2cc1CN1CCC2(CC2)C1 ZINC000400033408 1134577808 /nfs/dbraw/zinc/57/78/08/1134577808.db2.gz JPYBGSMASCAHNK-UHFFFAOYSA-N 0 1 272.779 3.874 20 0 CHADMN Cc1cc(C)cc(-c2noc(-c3[nH]nc(C4CC4)c3F)n2)c1 ZINC001214932485 1134581917 /nfs/dbraw/zinc/58/19/17/1134581917.db2.gz FBANGVBBVKISHL-UHFFFAOYSA-N 0 1 298.321 3.760 20 0 CHADMN COc1cc(Nc2cc(F)c(OC)c(Cl)c2)ncc1C ZINC001214971704 1134589579 /nfs/dbraw/zinc/58/95/79/1134589579.db2.gz FBUNDIUPQRAOPS-UHFFFAOYSA-N 0 1 296.729 3.943 20 0 CHADMN Cc1ccc(CNCc2ccc(Cl)c(Cl)c2)nc1 ZINC000400899162 1134600859 /nfs/dbraw/zinc/60/08/59/1134600859.db2.gz PZKMUZUYGZRDRW-UHFFFAOYSA-N 0 1 281.186 3.987 20 0 CHADMN FC(F)Oc1ccccc1N[C@H]1CCCc2[nH]ncc21 ZINC000401560911 1134617093 /nfs/dbraw/zinc/61/70/93/1134617093.db2.gz WYJGMLNEPDGJHB-JTQLQIEISA-N 0 1 279.290 3.501 20 0 CHADMN Cc1ccc(Cl)cc1N[C@@H]1CCCc2[nH]ncc21 ZINC000401622126 1134617487 /nfs/dbraw/zinc/61/74/87/1134617487.db2.gz WQPPRJPGFWGWEH-GFCCVEGCSA-N 0 1 261.756 3.861 20 0 CHADMN Cc1cccc(N[C@H]2CCCc3[nH]ncc32)c1Cl ZINC000401614294 1134618259 /nfs/dbraw/zinc/61/82/59/1134618259.db2.gz PRVQVJACMBWXAD-NSHDSACASA-N 0 1 261.756 3.861 20 0 CHADMN COc1c(C)ccc(N[C@@H]2CCCc3[nH]ncc32)c1C ZINC000401937937 1134626658 /nfs/dbraw/zinc/62/66/58/1134626658.db2.gz LPESTZZMEDONBQ-CQSZACIVSA-N 0 1 271.364 3.525 20 0 CHADMN Cc1cc(CNCc2ccc(Cl)cc2)cc(Cl)n1 ZINC000401953144 1134627656 /nfs/dbraw/zinc/62/76/56/1134627656.db2.gz NVRWFKXCARFDJP-UHFFFAOYSA-N 0 1 281.186 3.987 20 0 CHADMN Cc1ccc2nc(N)n(-c3ccc(F)c(OC(C)C)c3)c2c1 ZINC001215496282 1134633521 /nfs/dbraw/zinc/63/35/21/1134633521.db2.gz UUUHQYOKSBOFCW-UHFFFAOYSA-N 0 1 299.349 3.842 20 0 CHADMN O=c1oc2ccccc2cc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215553963 1134639472 /nfs/dbraw/zinc/63/94/72/1134639472.db2.gz PWTITFROFYWHDR-UHFFFAOYSA-N 0 1 295.273 3.552 20 0 CHADMN Fc1cc(Nc2ccc(C(F)F)nc2)cc2[nH]ncc21 ZINC001215554156 1134639577 /nfs/dbraw/zinc/63/95/77/1134639577.db2.gz WYMLXPVXPPRVDO-UHFFFAOYSA-N 0 1 278.237 3.778 20 0 CHADMN Fc1cc(Nc2ccc(C(F)(F)F)nc2)cc2[nH]ncc21 ZINC001215553026 1134639709 /nfs/dbraw/zinc/63/97/09/1134639709.db2.gz KXNGJVXRODOLLT-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN CC(C)c1cncc(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215555360 1134640494 /nfs/dbraw/zinc/64/04/94/1134640494.db2.gz USDQQYAUUUBNEG-UHFFFAOYSA-N 0 1 270.311 3.964 20 0 CHADMN Cc1cc(F)ccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555215 1134640638 /nfs/dbraw/zinc/64/06/38/1134640638.db2.gz QOGNSZYMELZVJH-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN COc1cccc(Nc2cc3[nH]ncc3c(F)c2)c1C ZINC001215555402 1134640659 /nfs/dbraw/zinc/64/06/59/1134640659.db2.gz JBBSUTSOAWVXMA-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Fc1cc(Nc2cncc(C3CC3)c2)cc2[nH]ncc21 ZINC001215555813 1134640690 /nfs/dbraw/zinc/64/06/90/1134640690.db2.gz QAHVBQYSLMRDIG-UHFFFAOYSA-N 0 1 268.295 3.718 20 0 CHADMN COc1ccc(Nc2cc3[nH]ncc3c(F)c2)c(F)c1 ZINC001215554962 1134640719 /nfs/dbraw/zinc/64/07/19/1134640719.db2.gz NEFWOJQDWCFWSF-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN Oc1ccc(Nc2cc3[nH]ncc3c(F)c2)cc1Cl ZINC001215555943 1134640729 /nfs/dbraw/zinc/64/07/29/1134640729.db2.gz RAIKGZUKBHEOLL-UHFFFAOYSA-N 0 1 277.686 3.805 20 0 CHADMN COC(=O)c1cccc(Nc2cc3[nH]ncc3c(F)c2)c1C ZINC001215554981 1134640985 /nfs/dbraw/zinc/64/09/85/1134640985.db2.gz ODVNJTZXXNMJPD-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN COc1cc(F)ccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555865 1134641452 /nfs/dbraw/zinc/64/14/52/1134641452.db2.gz PNQXWSQVIXARMG-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN Fc1cc(Nc2scnc2C2CC2)cc2[nH]ncc21 ZINC001215555394 1134641489 /nfs/dbraw/zinc/64/14/89/1134641489.db2.gz WBDRGQOSWWSARW-UHFFFAOYSA-N 0 1 274.324 3.780 20 0 CHADMN CCC(=O)Nc1cccc(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215556245 1134642251 /nfs/dbraw/zinc/64/22/51/1134642251.db2.gz YDLNMSAMGCKCBE-UHFFFAOYSA-N 0 1 298.321 3.794 20 0 CHADMN COc1c(F)cc(Nc2cc3[nH]ncc3c(F)c2)cc1F ZINC001215557229 1134642617 /nfs/dbraw/zinc/64/26/17/1134642617.db2.gz WNWNBHVHCZOIAU-UHFFFAOYSA-N 0 1 293.248 3.732 20 0 CHADMN COc1ccc(Nc2cc3[nH]ncc3c(F)c2)c(C(C)=O)c1 ZINC001215560019 1134643174 /nfs/dbraw/zinc/64/31/74/1134643174.db2.gz YSWWLRAOVGMZGA-UHFFFAOYSA-N 0 1 299.305 3.657 20 0 CHADMN CC(C)COc1ccc2cc(-n3cncc3N)ccc2c1 ZINC001215679315 1134658545 /nfs/dbraw/zinc/65/85/45/1134658545.db2.gz LDXXEHBJIQWXBU-UHFFFAOYSA-N 0 1 281.359 3.643 20 0 CHADMN CC[NH+](CC)Cc1ccc(F)c([N-]c2nc(C)ns2)c1 ZINC001215723761 1134666791 /nfs/dbraw/zinc/66/67/91/1134666791.db2.gz VKVXSTUICUGVQZ-UHFFFAOYSA-N 0 1 294.399 3.571 20 0 CHADMN Cc1cn2c(cccc2Nc2ccc(C)c3[nH]ncc32)n1 ZINC001215754308 1134673547 /nfs/dbraw/zinc/67/35/47/1134673547.db2.gz SOZYKCVYQOHZAW-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN Cc1ccc(Nc2cnccc2Cl)c2cn[nH]c21 ZINC001215753593 1134673752 /nfs/dbraw/zinc/67/37/52/1134673752.db2.gz AFDNOHSEWDELNF-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN Cc1nc(Nc2ccc(C)c3[nH]ncc32)sc1C ZINC001215754183 1134673801 /nfs/dbraw/zinc/67/38/01/1134673801.db2.gz NLCKRJAERGDSDP-UHFFFAOYSA-N 0 1 258.350 3.688 20 0 CHADMN Cc1ccc(Nc2cccc(F)c2F)c2cn[nH]c21 ZINC001215757069 1134675141 /nfs/dbraw/zinc/67/51/41/1134675141.db2.gz KTUOHNMHTXZEEM-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1ccc(Nc2cc(Cl)ncc2C)c2cn[nH]c21 ZINC001215755252 1134675320 /nfs/dbraw/zinc/67/53/20/1134675320.db2.gz LGEWDNFBYXVRTB-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1ccc(Nc2nc(C)c(C)nc2Cl)c2cn[nH]c21 ZINC001215756778 1134675353 /nfs/dbraw/zinc/67/53/53/1134675353.db2.gz YCMQVYDAVCSJFM-UHFFFAOYSA-N 0 1 287.754 3.675 20 0 CHADMN Cc1ccc(Nc2cc(F)c(C)cc2N)c2cn[nH]c21 ZINC001215758028 1134675754 /nfs/dbraw/zinc/67/57/54/1134675754.db2.gz FQDJPNXWBSARFR-UHFFFAOYSA-N 0 1 270.311 3.645 20 0 CHADMN Cc1ccc(Nc2ccc(Cl)cc2O)c2cn[nH]c21 ZINC001215758317 1134675836 /nfs/dbraw/zinc/67/58/36/1134675836.db2.gz PJYRUSHWOARXAQ-UHFFFAOYSA-N 0 1 273.723 3.974 20 0 CHADMN Cc1ccc(O)c(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215758448 1134675842 /nfs/dbraw/zinc/67/58/42/1134675842.db2.gz ULZGAWNKVVRFTK-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1cc(O)cc(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215758640 1134675940 /nfs/dbraw/zinc/67/59/40/1134675940.db2.gz AIRKHSYLBQDZEA-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN CC(=O)Nc1ccc(Nc2ccc(C)c3[nH]ncc32)cc1 ZINC001215757974 1134676309 /nfs/dbraw/zinc/67/63/09/1134676309.db2.gz BQQHSROSNFJXBP-UHFFFAOYSA-N 0 1 280.331 3.573 20 0 CHADMN CC(=O)c1ccccc1Nc1ccc(C)c2[nH]ncc21 ZINC001215758023 1134676553 /nfs/dbraw/zinc/67/65/53/1134676553.db2.gz FGCLMHKEIHSQMY-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN COc1cc(C)cc(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215758827 1134677159 /nfs/dbraw/zinc/67/71/59/1134677159.db2.gz ZLLXFRVJGZCRFV-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN CCOC(=O)c1cccc(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215758753 1134677404 /nfs/dbraw/zinc/67/74/04/1134677404.db2.gz WTOJIQRSCHFHMR-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN Cc1ccc(Nc2ccc(-c3nnco3)cc2)c2cn[nH]c21 ZINC001215758726 1134677815 /nfs/dbraw/zinc/67/78/15/1134677815.db2.gz VXYIRAQJDOSJFH-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Oc1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)cc1F ZINC001215792553 1134688178 /nfs/dbraw/zinc/68/81/78/1134688178.db2.gz VSXAEWZYSGVVID-UHFFFAOYSA-N 0 1 292.216 3.527 20 0 CHADMN CSc1cc(-n2c(N)nc3c2cccc3C)ccc1F ZINC001215794145 1134688489 /nfs/dbraw/zinc/68/84/89/1134688489.db2.gz RKRBSCGUKYADAJ-UHFFFAOYSA-N 0 1 287.363 3.777 20 0 CHADMN COc1cccc(Nc2cc(C)nn2-c2ccncc2)c1C ZINC001215799233 1134690085 /nfs/dbraw/zinc/69/00/85/1134690085.db2.gz OWOCFHGFIGHMTN-UHFFFAOYSA-N 0 1 294.358 3.636 20 0 CHADMN COc1ccc(Nc2cc(Cl)cc3[nH]ncc32)cc1 ZINC001215858933 1134704703 /nfs/dbraw/zinc/70/47/03/1134704703.db2.gz GLYFTSJYYNNFFA-UHFFFAOYSA-N 0 1 273.723 3.969 20 0 CHADMN CSc1cccc(Nc2ccc3nccn3c2)c1F ZINC001215867257 1134707144 /nfs/dbraw/zinc/70/71/44/1134707144.db2.gz XNDFESDANDVXLB-UHFFFAOYSA-N 0 1 273.336 3.939 20 0 CHADMN O[C@@H]1CCc2ccc(Nc3cc(Cl)cc4[nH]ncc43)cc21 ZINC001215862164 1134707277 /nfs/dbraw/zinc/70/72/77/1134707277.db2.gz RLANOBVQXKQSJG-MRXNPFEDSA-N 0 1 299.761 3.940 20 0 CHADMN Cc1ccc(F)c(-c2noc(-c3cccc(F)c3O)n2)c1 ZINC001215862764 1134707327 /nfs/dbraw/zinc/70/73/27/1134707327.db2.gz CJOUDYSJYRWIGN-UHFFFAOYSA-N 0 1 288.253 3.696 20 0 CHADMN CCOc1ccc(-n2c(N)nc3ccccc32)c(C)c1C ZINC001215988517 1134742377 /nfs/dbraw/zinc/74/23/77/1134742377.db2.gz GGIZLWYQWGTKTG-UHFFFAOYSA-N 0 1 281.359 3.623 20 0 CHADMN Cc1cc(Cl)c(N)c(Nc2nnc(-c3ccco3)o2)c1 ZINC001216088870 1134773168 /nfs/dbraw/zinc/77/31/68/1134773168.db2.gz GRVTVALBJWLYOY-UHFFFAOYSA-N 0 1 290.710 3.617 20 0 CHADMN CSc1cc(Nc2cncn2C)ccc1C(F)(F)F ZINC001216212087 1134809498 /nfs/dbraw/zinc/80/94/98/1134809498.db2.gz ZCVWFPBPUDTUJL-UHFFFAOYSA-N 0 1 287.310 3.904 20 0 CHADMN CN(C)Cc1cccc(Nc2cc(Cl)ncc2F)c1F ZINC001216228039 1134813549 /nfs/dbraw/zinc/81/35/49/1134813549.db2.gz XIJIGULHSOSIGT-UHFFFAOYSA-N 0 1 297.736 3.818 20 0 CHADMN CCc1ccc(C)nc1Nc1cccc(CN(C)C)c1F ZINC001216227292 1134813978 /nfs/dbraw/zinc/81/39/78/1134813978.db2.gz ZRQNHROMWGGHKV-UHFFFAOYSA-N 0 1 287.382 3.897 20 0 CHADMN CN(C)Cc1cccc(Nc2cccc3c2ncn3C)c1F ZINC001216231685 1134814620 /nfs/dbraw/zinc/81/46/20/1134814620.db2.gz BQFKABZQLWKCEP-UHFFFAOYSA-N 0 1 298.365 3.518 20 0 CHADMN Cc1cccc(N)c1Nc1cccc(CN(C)C)c1F ZINC001216231255 1134815589 /nfs/dbraw/zinc/81/55/89/1134815589.db2.gz FRDOFJIBRUNKTP-UHFFFAOYSA-N 0 1 273.355 3.522 20 0 CHADMN CN(C)Cc1cccc(Nc2cccc3c2COC3)c1F ZINC001216233210 1134817234 /nfs/dbraw/zinc/81/72/34/1134817234.db2.gz YWRUUQLISSBPQD-UHFFFAOYSA-N 0 1 286.350 3.661 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1cc2c(cccc2F)o1 ZINC001216289285 1134835882 /nfs/dbraw/zinc/83/58/82/1134835882.db2.gz OFNIFYJGXVCKRD-UHFFFAOYSA-N 0 1 281.290 3.801 20 0 CHADMN Cc1cn2cc(Nc3cc(C)c(C(=O)[O-])c(C)c3)ccc2[nH+]1 ZINC001216310262 1134845926 /nfs/dbraw/zinc/84/59/26/1134845926.db2.gz UNVYKOUOYMYBAI-UHFFFAOYSA-N 0 1 295.342 3.701 20 0 CHADMN Cc1c(F)ccc(F)c1Nc1ccnn1-c1ccncc1 ZINC001216341919 1134861525 /nfs/dbraw/zinc/86/15/25/1134861525.db2.gz QTPMBKTZPIPNNT-UHFFFAOYSA-N 0 1 286.285 3.598 20 0 CHADMN COc1cc(C)c(C)cc1Nc1ccc2nccn2c1 ZINC001216373438 1134871938 /nfs/dbraw/zinc/87/19/38/1134871938.db2.gz IEKAYUPZJJHSPH-UHFFFAOYSA-N 0 1 267.332 3.703 20 0 CHADMN CC(C)(C)c1nc(Nc2cc(F)ccc2Cl)no1 ZINC001216476668 1134901807 /nfs/dbraw/zinc/90/18/07/1134901807.db2.gz OAIHWMONQUESQJ-UHFFFAOYSA-N 0 1 269.707 3.903 20 0 CHADMN CC(=O)c1cccc(Nc2ccnc(Cl)c2O)c1F ZINC001216499087 1134909851 /nfs/dbraw/zinc/90/98/51/1134909851.db2.gz DOEOKNYBPPORNL-UHFFFAOYSA-N 0 1 280.686 3.526 20 0 CHADMN CC(=O)c1cccc(Nc2ccc3c(c2)CN(C)CC3)c1F ZINC001216504276 1134912631 /nfs/dbraw/zinc/91/26/31/1134912631.db2.gz SCGWCOFDPYGOAQ-UHFFFAOYSA-N 0 1 298.361 3.760 20 0 CHADMN CN(C)c1ccc(Nc2cncn2Cc2ccccc2)cc1 ZINC001216552451 1134918331 /nfs/dbraw/zinc/91/83/31/1134918331.db2.gz QEEHEFOHNYECMS-UHFFFAOYSA-N 0 1 292.386 3.741 20 0 CHADMN CC(=O)c1cccc(Nc2cncn2Cc2ccccc2)c1 ZINC001216554125 1134919607 /nfs/dbraw/zinc/91/96/07/1134919607.db2.gz YKCGZWFZFJNIGZ-UHFFFAOYSA-N 0 1 291.354 3.878 20 0 CHADMN CC(=O)c1ccccc1Nc1cncn1Cc1ccccc1 ZINC001216553897 1134920123 /nfs/dbraw/zinc/92/01/23/1134920123.db2.gz QLGFHTYUCXNHHZ-UHFFFAOYSA-N 0 1 291.354 3.878 20 0 CHADMN COc1c(F)cc(SC)cc1Nc1nnc(C(C)C)o1 ZINC001216580253 1134922325 /nfs/dbraw/zinc/92/23/25/1134922325.db2.gz NTWKTVJNXRJZPD-UHFFFAOYSA-N 0 1 297.355 3.806 20 0 CHADMN COc1ccc2cc(CNCc3ccns3)ccc2c1 ZINC000404401441 1134944609 /nfs/dbraw/zinc/94/46/09/1134944609.db2.gz RIFJHJAMDGIELT-UHFFFAOYSA-N 0 1 284.384 3.595 20 0 CHADMN Cc1cccc(-c2noc(-c3c(O)cccc3F)n2)c1C ZINC000405084907 1134957824 /nfs/dbraw/zinc/95/78/24/1134957824.db2.gz OSPANXRFAKNTMO-UHFFFAOYSA-N 0 1 284.290 3.865 20 0 CHADMN Cc1ccc(-c2noc(-c3ccc4[nH]cnc4c3)n2)c(C)c1 ZINC001217131657 1134963740 /nfs/dbraw/zinc/96/37/40/1134963740.db2.gz RGNCLWIFSCDION-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Cc1ccc2nc(-c3nc(-c4ccc(F)cc4)no3)[nH]c2c1 ZINC001217256806 1134968446 /nfs/dbraw/zinc/96/84/46/1134968446.db2.gz BVNDQIJONVCOOK-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1ccc(-c2noc(-c3cc4cccnc4[nH]3)n2)cc1C ZINC001217306254 1134971501 /nfs/dbraw/zinc/97/15/01/1134971501.db2.gz RROBQYLZQULCDY-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Cc1ccc(-c2noc(-c3ccn4cncc4c3)n2)cc1C ZINC001217330666 1134972501 /nfs/dbraw/zinc/97/25/01/1134972501.db2.gz VAWFPIUGGIINSO-UHFFFAOYSA-N 0 1 290.326 3.668 20 0 CHADMN Cc1n[nH]c2ccc(-c3nc(-c4ccccc4C)no3)cc12 ZINC001217576124 1134983562 /nfs/dbraw/zinc/98/35/62/1134983562.db2.gz WENDBDBSWGBVSB-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Cc1[nH]nc2cc(-c3nc(-c4ccc(F)cc4)no3)ccc12 ZINC001217575426 1134983850 /nfs/dbraw/zinc/98/38/50/1134983850.db2.gz BLTGMSFRQXCWMA-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN C[C@@H]1CCCN[C@@H]1c1nnc(CCC2CCCCC2)o1 ZINC001217701402 1134987549 /nfs/dbraw/zinc/98/75/49/1134987549.db2.gz DMPBDVCHSLDUKW-DOMZBBRYSA-N 0 1 277.412 3.643 20 0 CHADMN CC(C)(C)c1ccc(-c2nnc(C3(N)CCCC3)o2)cc1 ZINC001217693877 1134987851 /nfs/dbraw/zinc/98/78/51/1134987851.db2.gz AZKUUYNXKSEWKJ-UHFFFAOYSA-N 0 1 285.391 3.762 20 0 CHADMN C(CC1CCCCC1)c1nnc([C@@H]2CCCCCN2)o1 ZINC001217728230 1134992059 /nfs/dbraw/zinc/99/20/59/1134992059.db2.gz JEYFZSRYKXLZEL-AWEZNQCLSA-N 0 1 277.412 3.787 20 0 CHADMN c1nc2cccc(CO[C@H]3CCC=CCCC3)c2[nH]1 ZINC001217872780 1135013345 /nfs/dbraw/zinc/01/33/45/1135013345.db2.gz VJWGUJBZWGXLLP-AWEZNQCLSA-N 0 1 256.349 3.968 20 0 CHADMN C[C@H]1CCC[C@H](C)N1Cc1cccc(O)c1Br ZINC000315312063 1135153645 /nfs/dbraw/zinc/15/36/45/1135153645.db2.gz ACJONYQEWRRUKD-QWRGUYRKSA-N 0 1 298.224 3.918 20 0 CHADMN CN(Cc1cccc(O)c1Br)C1CCCCC1 ZINC000315832877 1135161711 /nfs/dbraw/zinc/16/17/11/1135161711.db2.gz KGNJCOZITMBKNT-UHFFFAOYSA-N 0 1 298.224 3.919 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cccc2c1NCCC2 ZINC000316485561 1135167325 /nfs/dbraw/zinc/16/73/25/1135167325.db2.gz WZRCJDSOENTJCO-CQSZACIVSA-N 0 1 296.414 3.904 20 0 CHADMN CCOc1ccc(-c2cc(F)c(O)cc2F)c(OCC)n1 ZINC001222083034 1135189813 /nfs/dbraw/zinc/18/98/13/1135189813.db2.gz JWLGXIFXVCTWID-UHFFFAOYSA-N 0 1 295.285 3.530 20 0 CHADMN C[NH+](C)Cc1cc(-c2cc(F)c([O-])cc2F)ccc1F ZINC001222082664 1135189919 /nfs/dbraw/zinc/18/99/19/1135189919.db2.gz GLNVYFCMNKQWSF-UHFFFAOYSA-N 0 1 281.277 3.538 20 0 CHADMN COCc1ccc(Cl)c(-c2ccc(CN(C)C)cn2)c1 ZINC001222251154 1135214928 /nfs/dbraw/zinc/21/49/28/1135214928.db2.gz OCTIKXSWMOKBCK-UHFFFAOYSA-N 0 1 290.794 3.610 20 0 CHADMN C[C@@H](OCc1cnc[nH]1)c1cc2ccccc2s1 ZINC001222999365 1135292906 /nfs/dbraw/zinc/29/29/06/1135292906.db2.gz ACBMVEODTNLAGA-SNVBAGLBSA-N 0 1 258.346 3.902 20 0 CHADMN C[C@H](OCc1cnc[nH]1)c1cccc(Br)c1F ZINC001223007649 1135294233 /nfs/dbraw/zinc/29/42/33/1135294233.db2.gz MZSRHBWTTWKWOG-QMMMGPOBSA-N 0 1 299.143 3.589 20 0 CHADMN c1ncc(COC2c3ccccc3Oc3ccccc32)[nH]1 ZINC001223008402 1135294656 /nfs/dbraw/zinc/29/46/56/1135294656.db2.gz YDBMCOHUTVYNQQ-UHFFFAOYSA-N 0 1 278.311 3.822 20 0 CHADMN Fc1ccccc1CN1CCC[C@H](OCc2ccoc2)C1 ZINC001223783455 1135383006 /nfs/dbraw/zinc/38/30/06/1135383006.db2.gz BLUIISDNHDCITM-INIZCTEOSA-N 0 1 289.350 3.600 20 0 CHADMN Fc1ccccc1CN1CCC[C@@H](OCCC2CC2)C1 ZINC001224761092 1135479643 /nfs/dbraw/zinc/47/96/43/1135479643.db2.gz HPDJRZQQTJAVPD-MRXNPFEDSA-N 0 1 277.383 3.607 20 0 CHADMN [S-]c1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001225553557 1135586691 /nfs/dbraw/zinc/58/66/91/1135586691.db2.gz CPALSYCAVAPQDG-INIZCTEOSA-N 0 1 285.412 3.629 20 0 CHADMN CC(C)[N@H+]1CCC[C@H](Oc2c(F)ccc(Cl)c2F)C1 ZINC001225903689 1135636574 /nfs/dbraw/zinc/63/65/74/1135636574.db2.gz FXWZNXSYKATZMT-JTQLQIEISA-N 0 1 289.753 3.870 20 0 CHADMN CC(C)N1CCC[C@H](Oc2c(F)ccc(Cl)c2F)C1 ZINC001225903689 1135636578 /nfs/dbraw/zinc/63/65/78/1135636578.db2.gz FXWZNXSYKATZMT-JTQLQIEISA-N 0 1 289.753 3.870 20 0 CHADMN Cc1ccc(OC(C)C)c(COc2cccc3[nH]nnc32)c1 ZINC001225990492 1135648732 /nfs/dbraw/zinc/64/87/32/1135648732.db2.gz AGXTVHISZWBSRR-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN CC[C@@H](Oc1cccc2[nH]nnc21)c1cccc(F)c1C ZINC001225991078 1135649664 /nfs/dbraw/zinc/64/96/64/1135649664.db2.gz SMJDCWJKMUFASY-CQSZACIVSA-N 0 1 285.322 3.936 20 0 CHADMN CC[C@H](Oc1cccc2[nH]nnc21)c1ccccc1F ZINC001225991927 1135649765 /nfs/dbraw/zinc/64/97/65/1135649765.db2.gz KOVFSGCFYWWCBB-ZDUSSCGKSA-N 0 1 271.295 3.627 20 0 CHADMN Cc1cc(=O)[nH]c(O[C@@H](C)c2c(Cl)cccc2Cl)n1 ZINC001226160067 1135669180 /nfs/dbraw/zinc/66/91/80/1135669180.db2.gz ZXVNCVZJIOJBAF-QMMMGPOBSA-N 0 1 299.157 3.937 20 0 CHADMN FC(F)(F)[C@H](Oc1n[nH]c2ncccc12)c1ccccc1 ZINC001226299917 1135682097 /nfs/dbraw/zinc/68/20/97/1135682097.db2.gz INVDNFBZFPOROM-LLVKDONJSA-N 0 1 293.248 3.640 20 0 CHADMN c1cnc2[nH]nc(O[C@@H]3CC[C@@H]4CCCC[C@H]4C3)c2c1 ZINC001226301513 1135682144 /nfs/dbraw/zinc/68/21/44/1135682144.db2.gz BQHJWFODWUOGGH-RWMBFGLXSA-N 0 1 271.364 3.696 20 0 CHADMN C[C@H](Oc1n[nH]c2ncccc12)c1csc(Cl)c1 ZINC001226302951 1135682675 /nfs/dbraw/zinc/68/26/75/1135682675.db2.gz PYYXARLENJARRM-ZETCQYMHSA-N 0 1 279.752 3.813 20 0 CHADMN CCC[C@@H](C)[C@H](Oc1n[nH]c2ncccc12)C(C)C ZINC001226306347 1135682870 /nfs/dbraw/zinc/68/28/70/1135682870.db2.gz SRAZWGPTHRYYCG-DGCLKSJQSA-N 0 1 261.369 3.798 20 0 CHADMN C[C@@H]1C[C@@H](Oc2n[nH]c3ncccc23)CC(C)(C)C1 ZINC001226302406 1135682941 /nfs/dbraw/zinc/68/29/41/1135682941.db2.gz KAYZRVOVPYODNH-GHMZBOCLSA-N 0 1 259.353 3.552 20 0 CHADMN C[C@H](Cc1ccccc1)Oc1cc(N)nc2ccccc21 ZINC001226419400 1135694479 /nfs/dbraw/zinc/69/44/79/1135694479.db2.gz UZYDBQAUVXUZAM-CYBMUJFWSA-N 0 1 278.355 3.827 20 0 CHADMN CCCC(=O)[C@@H](CCC)Oc1cc(N)nc2ccccc21 ZINC001226419418 1135694796 /nfs/dbraw/zinc/69/47/96/1135694796.db2.gz VEUHXEOAAYDLGM-OAHLLOKOSA-N 0 1 286.375 3.734 20 0 CHADMN C[C@@H]1CCC[C@@H](Oc2cc(N)nc3ccccc32)C1 ZINC001226415966 1135694951 /nfs/dbraw/zinc/69/49/51/1135694951.db2.gz BNJFDXBVKSSUQR-VXGBXAGGSA-N 0 1 256.349 3.775 20 0 CHADMN C[C@@H](Oc1nc2ccc(F)cc2[nH]1)c1cccc(N(C)C)c1 ZINC001226701134 1135730176 /nfs/dbraw/zinc/73/01/76/1135730176.db2.gz LDNQJNFZYPCAEA-LLVKDONJSA-N 0 1 299.349 3.908 20 0 CHADMN COC(C)(C)C[C@@H](C)Oc1nc2ccc(Cl)cc2[nH]1 ZINC001227266780 1135812519 /nfs/dbraw/zinc/81/25/19/1135812519.db2.gz PGNXFMFVQBJNHB-SECBINFHSA-N 0 1 282.771 3.799 20 0 CHADMN COC1=CC[C@@H](Oc2nc3ccc(Cl)cc3[nH]2)CC1 ZINC001227265927 1135813095 /nfs/dbraw/zinc/81/30/95/1135813095.db2.gz GGAKEIMZJAZLFY-LLVKDONJSA-N 0 1 278.739 3.678 20 0 CHADMN Clc1ccc2nc(O[C@@H]3CCc4cccnc43)[nH]c2c1 ZINC001227262298 1135813266 /nfs/dbraw/zinc/81/32/66/1135813266.db2.gz MIBWKBMXZRCWLC-CYBMUJFWSA-N 0 1 285.734 3.678 20 0 CHADMN Cc1cccc2nc(O[C@@H]3CCc4ccccc43)[nH]c21 ZINC001227269052 1135813883 /nfs/dbraw/zinc/81/38/83/1135813883.db2.gz ZAJURHVOCNOLOW-OAHLLOKOSA-N 0 1 264.328 3.938 20 0 CHADMN Cc1cccc2nc(O[C@@H]3CCc4c3nccc4Cl)[nH]c21 ZINC001227273160 1135814451 /nfs/dbraw/zinc/81/44/51/1135814451.db2.gz WETSRXQXQDKZPS-CYBMUJFWSA-N 0 1 299.761 3.986 20 0 CHADMN Cc1ccc2nc(=O)[nH]c(O[C@@H](C)c3cccc(F)c3)c2c1 ZINC001227351957 1135825173 /nfs/dbraw/zinc/82/51/73/1135825173.db2.gz WMLPGLZRGQSCMC-NSHDSACASA-N 0 1 298.317 3.923 20 0 CHADMN C[C@H](Oc1ncnc2nc[nH]c21)c1cccc2ccccc21 ZINC001227532688 1135843672 /nfs/dbraw/zinc/84/36/72/1135843672.db2.gz ZWXZNPMAQIPFTR-NSHDSACASA-N 0 1 290.326 3.646 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1csc(COC)n1)C1CC1 ZINC000353310499 529411424 /nfs/dbraw/zinc/41/14/24/529411424.db2.gz RZMAHPJEPFQXRA-NEPJUHHUSA-N 0 1 282.453 3.689 20 0 CHADMN CC[C@@H]1c2ccsc2CCN1Cc1cccc(C)n1 ZINC000347355471 529486778 /nfs/dbraw/zinc/48/67/78/529486778.db2.gz BUIROYJRDFINEJ-OAHLLOKOSA-N 0 1 272.417 3.961 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2nccn2Cc2ccccc2)C1 ZINC000353686715 529523606 /nfs/dbraw/zinc/52/36/06/529523606.db2.gz LFSCMMQPVZHMOW-IBGZPJMESA-N 0 1 297.446 3.944 20 0 CHADMN CCc1ccc(C2=CCN(Cc3cncn3CC)CC2)cc1 ZINC000417981747 529617852 /nfs/dbraw/zinc/61/78/52/529617852.db2.gz MENYJLHBPAMQHE-UHFFFAOYSA-N 0 1 295.430 3.755 20 0 CHADMN CCc1ccc(CN2CCC[C@@H](Oc3ccccc3)C2)cn1 ZINC000347632349 529639481 /nfs/dbraw/zinc/63/94/81/529639481.db2.gz BEXBNLXBCWXWOB-LJQANCHMSA-N 0 1 296.414 3.687 20 0 CHADMN CCc1ccc(CN2CC[C@@H]2c2ccccc2)cn1 ZINC000347676403 529642154 /nfs/dbraw/zinc/64/21/54/529642154.db2.gz QJJLDQLAYXXHEV-QGZVFWFLSA-N 0 1 252.361 3.591 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccccc2OC)cn1 ZINC000352239955 529655060 /nfs/dbraw/zinc/65/50/60/529655060.db2.gz BDERFBITUFFVTN-ZDUSSCGKSA-N 0 1 270.376 3.503 20 0 CHADMN CCc1ccc(CN(CC)Cc2ccc(OC)cc2)cn1 ZINC000347630204 529637274 /nfs/dbraw/zinc/63/72/74/529637274.db2.gz CTWOYCKVBJXLTN-UHFFFAOYSA-N 0 1 284.403 3.675 20 0 CHADMN CCc1ccc([C@@H](CC)NCc2ncccc2N(C)C)cc1 ZINC000353664892 529707960 /nfs/dbraw/zinc/70/79/60/529707960.db2.gz XHGHSAQFUYGTNN-QGZVFWFLSA-N 0 1 297.446 3.951 20 0 CHADMN CCc1nc(CN2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)n[nH]1 ZINC000354837535 529736102 /nfs/dbraw/zinc/73/61/02/529736102.db2.gz OXCAHWJQUXBYHP-KBXCAEBGSA-N 0 1 298.434 3.649 20 0 CHADMN CCc1ncc(CN2Cc3ccccc3C[C@H]2C)s1 ZINC000353644354 529754738 /nfs/dbraw/zinc/75/47/38/529754738.db2.gz DRVQBLMNGYFIGB-GFCCVEGCSA-N 0 1 272.417 3.652 20 0 CHADMN CN(C)c1cccnc1CNCc1csc2ccccc12 ZINC000353214271 529796360 /nfs/dbraw/zinc/79/63/60/529796360.db2.gz CFIKCWBWWQRZAM-UHFFFAOYSA-N 0 1 297.427 3.652 20 0 CHADMN CC[C@H](F)CN[C@H](C)c1ccccc1OC(C)C ZINC000573766208 334964656 /nfs/dbraw/zinc/96/46/56/334964656.db2.gz RZJARRVPXAVLGD-OLZOCXBDSA-N 0 1 253.361 3.873 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1N[C@H](C)[C@H](C)O ZINC000573795378 334966311 /nfs/dbraw/zinc/96/63/11/334966311.db2.gz GEABXYSGVROWIS-CABCVRRESA-N 0 1 276.424 3.557 20 0 CHADMN Cc1noc([C@H](C)N[C@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000574252935 335003975 /nfs/dbraw/zinc/00/39/75/335003975.db2.gz ODRFCEUJCDTKFB-RCBQFDQVSA-N 0 1 285.391 3.755 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N1Cc1cncc(C(F)(F)F)c1 ZINC000361357227 261219397 /nfs/dbraw/zinc/21/93/97/261219397.db2.gz WNGHNRGDVNACHK-ZWNOBZJWSA-N 0 1 272.314 3.863 20 0 CHADMN CCCN(Cc1nc(=O)c2c(C)c(C)sc2[nH]1)C(C)C ZINC000574412030 335017923 /nfs/dbraw/zinc/01/79/23/335017923.db2.gz YXKOEGNEMUMUHU-UHFFFAOYSA-N 0 1 293.436 3.634 20 0 CHADMN C[C@@H](CN1CCC(CC(F)(F)F)CC1)C(F)(F)F ZINC000574829102 335051089 /nfs/dbraw/zinc/05/10/89/335051089.db2.gz AXTBDJZISUADQZ-QMMMGPOBSA-N 0 1 277.252 3.849 20 0 CHADMN CCCc1ccc([C@H]([NH2+]Cc2c[nH]cn2)C(C)C)cc1 ZINC000171127652 335055900 /nfs/dbraw/zinc/05/59/00/335055900.db2.gz WHCZVNPNGRGAQJ-QGZVFWFLSA-N 0 1 271.408 3.849 20 0 CHADMN COCCN(Cc1cccnc1)Cc1c(C)cc(C)cc1C ZINC000171146803 335056902 /nfs/dbraw/zinc/05/69/02/335056902.db2.gz CZHNWNRKFLLZRO-UHFFFAOYSA-N 0 1 298.430 3.655 20 0 CHADMN COc1ccc(C)cc1CNC(C)(C)c1ccc(C)nc1 ZINC000353188925 533388225 /nfs/dbraw/zinc/38/82/25/533388225.db2.gz PQYXJOBNTZIAAR-UHFFFAOYSA-N 0 1 284.403 3.732 20 0 CHADMN CSC1(CN2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000347591774 533480153 /nfs/dbraw/zinc/48/01/53/533480153.db2.gz PHMZEHPTAVRQCP-AWEZNQCLSA-N 0 1 297.851 3.609 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc2cccc(F)c2o1)c1cnn(C)c1 ZINC000353381149 533501616 /nfs/dbraw/zinc/50/16/16/533501616.db2.gz LWXFGCDIQLYWAO-MNOVXSKESA-N 0 1 287.338 3.717 20 0 CHADMN CC[C@@H](NCc1ccc2[nH]c(C)c(C)c2c1)c1nccn1C ZINC000341762334 130028304 /nfs/dbraw/zinc/02/83/04/130028304.db2.gz UAIYTCLJOUVZQU-MRXNPFEDSA-N 0 1 296.418 3.759 20 0 CHADMN CCCN(Cc1nccn1CC)[C@@H]1CCc2ccccc21 ZINC000341835059 130065439 /nfs/dbraw/zinc/06/54/39/130065439.db2.gz JMXVUWHSKWXGCZ-QGZVFWFLSA-N 0 1 283.419 3.803 20 0 CHADMN Cc1cnn(CCN(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)c1 ZINC000341835020 130065620 /nfs/dbraw/zinc/06/56/20/130065620.db2.gz UMBLOJKCGHXHAK-RHSMWYFYSA-N 0 1 299.418 3.573 20 0 CHADMN C[C@@H](c1noc(-c2ccccc2)n1)N1CCC[C@@H](C)CC1 ZINC000341834570 130065761 /nfs/dbraw/zinc/06/57/61/130065761.db2.gz LEFTYOQMWUBQHB-KGLIPLIRSA-N 0 1 285.391 3.920 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC3(CCOCC3)CC2)c1 ZINC000341982494 130168221 /nfs/dbraw/zinc/16/82/21/130168221.db2.gz DSDSUENHJQKUSW-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000342022794 130204437 /nfs/dbraw/zinc/20/44/37/130204437.db2.gz PSEITWXVMWISPQ-CABCVRRESA-N 0 1 283.774 3.623 20 0 CHADMN FC(F)[C@@H]1C[C@H]1NCc1nc(-c2ccccc2)cs1 ZINC000342201735 130379728 /nfs/dbraw/zinc/37/97/28/130379728.db2.gz GETIASDCIVWXMH-GHMZBOCLSA-N 0 1 280.343 3.553 20 0 CHADMN Cc1ncc([C@H](C)Nc2cc3c(cn2)CCCC3)c(C)n1 ZINC000575104408 335065468 /nfs/dbraw/zinc/06/54/68/335065468.db2.gz XDAWFOHQJNRFFP-LBPRGKRZSA-N 0 1 282.391 3.540 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3CC4CCC3CC4)ccc12 ZINC000344948823 533672733 /nfs/dbraw/zinc/67/27/33/533672733.db2.gz JLHMCQSVTVQXGN-KOHJWAIASA-N 0 1 283.375 3.636 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C[C@H]3CCC[C@H]3C)ccc12 ZINC000347546315 533673847 /nfs/dbraw/zinc/67/38/47/533673847.db2.gz NCLNEXKGAOKBPO-ZYHUDNBSSA-N 0 1 271.364 3.636 20 0 CHADMN O=C(Nc1cccc2ncccc21)c1ccc(O)c(Cl)c1 ZINC000019838362 170886532 /nfs/dbraw/zinc/88/65/32/170886532.db2.gz AEUXCQLDIKNURT-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN CCOc1ccccc1[C@@H](C)N[C@@H](C)c1ccncc1 ZINC000020121441 171000347 /nfs/dbraw/zinc/00/03/47/171000347.db2.gz AYLNQBXDQGZJLF-UONOGXRCSA-N 0 1 270.376 3.892 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccncc1)c1ccc(F)c(F)c1 ZINC000020121416 171000440 /nfs/dbraw/zinc/00/04/40/171000440.db2.gz CISGECJFSHWSDQ-WDEREUQCSA-N 0 1 262.303 3.772 20 0 CHADMN COc1cccc([C@H](C)N[C@H](C)c2ccccn2)c1 ZINC000020123410 171004049 /nfs/dbraw/zinc/00/40/49/171004049.db2.gz QCGSNYXNKNNSNI-QWHCGFSZSA-N 0 1 256.349 3.502 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccccn2)cc1 ZINC000020123399 171004340 /nfs/dbraw/zinc/00/43/40/171004340.db2.gz GBYJDWHKTMNWIP-OLZOCXBDSA-N 0 1 256.349 3.502 20 0 CHADMN C[C@@H](NCc1ccc(Br)s1)c1ccccn1 ZINC000020123689 171004650 /nfs/dbraw/zinc/00/46/50/171004650.db2.gz IOPJVRDIBIYYTQ-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN C[C@@H](NCc1ccc(Cl)s1)c1ccccn1 ZINC000020123825 171005304 /nfs/dbraw/zinc/00/53/04/171005304.db2.gz OETIFSAIQMJQQW-SECBINFHSA-N 0 1 252.770 3.647 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccn1)c1ccc2c(c1)CCC2 ZINC000020123933 171005809 /nfs/dbraw/zinc/00/58/09/171005809.db2.gz ROHCLXFSWMZTJR-ZIAGYGMSSA-N 0 1 266.388 3.982 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2nc3ccccc3n2C)c1 ZINC000020134280 171021868 /nfs/dbraw/zinc/02/18/68/171021868.db2.gz SJZRPUCZECHJMY-AWEZNQCLSA-N 0 1 279.387 3.733 20 0 CHADMN Fc1ccc(CNCc2ccc(Cl)cc2)c(F)c1 ZINC000020209565 171073372 /nfs/dbraw/zinc/07/33/72/171073372.db2.gz PFNMOXWHISSIEG-UHFFFAOYSA-N 0 1 267.706 3.908 20 0 CHADMN Cc1ccc(F)c(NC(=O)c2ccc(Cl)cc2O)c1 ZINC000020363090 171162590 /nfs/dbraw/zinc/16/25/90/171162590.db2.gz OSLKQYRXQWYJOW-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN CCOc1cccc(-c2nc3ccc(C)cc3[nH]2)c1 ZINC000021001607 171284583 /nfs/dbraw/zinc/28/45/83/171284583.db2.gz FOFVFHUBEBDDNT-UHFFFAOYSA-N 0 1 252.317 3.937 20 0 CHADMN C[C@H](NCc1ccc(F)c(F)c1)c1ccc2c(c1)OCO2 ZINC000035256637 172086692 /nfs/dbraw/zinc/08/66/92/172086692.db2.gz CKYMFISOUCUPPK-JTQLQIEISA-N 0 1 291.297 3.544 20 0 CHADMN c1coc(CCN[C@H](c2ccccc2)c2ccccn2)c1 ZINC000035661728 172339711 /nfs/dbraw/zinc/33/97/11/172339711.db2.gz GCOJXDNCRGMBBJ-GOSISDBHSA-N 0 1 278.355 3.596 20 0 CHADMN COc1ccc(Cl)cc1CN[C@@H](C)c1cccc(O)c1 ZINC000038051595 174062720 /nfs/dbraw/zinc/06/27/20/174062720.db2.gz OJPSGZGOWGXJFS-NSHDSACASA-N 0 1 291.778 3.905 20 0 CHADMN CCOc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1OC ZINC000041005845 174448715 /nfs/dbraw/zinc/44/87/15/174448715.db2.gz SBLOCHATFYGEDH-UHFFFAOYSA-N 0 1 282.343 3.946 20 0 CHADMN CCCN(Cc1sccc1Br)C1CC1 ZINC000043677674 175088865 /nfs/dbraw/zinc/08/88/65/175088865.db2.gz GPZQUOAMKPUVJA-UHFFFAOYSA-N 0 1 274.227 3.885 20 0 CHADMN CC[C@@H](C)N(C)Cc1sccc1Br ZINC000043677636 175089296 /nfs/dbraw/zinc/08/92/96/175089296.db2.gz QIEHCQZORWTMTC-MRVPVSSYSA-N 0 1 262.216 3.741 20 0 CHADMN C[C@@H]1C[C@H](C)CN(Cc2cc(Br)cs2)C1 ZINC000043686965 175094298 /nfs/dbraw/zinc/09/42/98/175094298.db2.gz MTMCEYCOVOIXSG-AOOOYVTPSA-N 0 1 288.254 3.989 20 0 CHADMN Fc1ccccc1CSc1nc(Cc2ccccc2)n[nH]1 ZINC000071258585 176095849 /nfs/dbraw/zinc/09/58/49/176095849.db2.gz NGKNUDGCHPIRAQ-UHFFFAOYSA-N 0 1 299.374 3.827 20 0 CHADMN Cc1cccnc1CN[C@@H](C)c1ccc(Cl)s1 ZINC000071339629 176129717 /nfs/dbraw/zinc/12/97/17/176129717.db2.gz NJIAEOQZKPGDSO-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN Cc1cccnc1CN[C@H](C)c1ccc(Cl)s1 ZINC000071339630 176129851 /nfs/dbraw/zinc/12/98/51/176129851.db2.gz NJIAEOQZKPGDSO-SNVBAGLBSA-N 0 1 266.797 3.956 20 0 CHADMN CCCCC[C@@H](C)NCc1nc(-c2ccccc2)no1 ZINC000072103141 176315765 /nfs/dbraw/zinc/31/57/65/176315765.db2.gz LSYOBDRWHZVVGV-CYBMUJFWSA-N 0 1 273.380 3.795 20 0 CHADMN Cc1c([C@@H](C)N[C@H](C)c2ccccc2Cl)cnn1C ZINC000037167555 260072657 /nfs/dbraw/zinc/07/26/57/260072657.db2.gz XQFJNFSOXLSYQJ-GHMZBOCLSA-N 0 1 277.799 3.794 20 0 CHADMN CN(Cc1cnn(C(C)(C)C)c1)[C@H]1CCc2ccccc21 ZINC000179909330 260079987 /nfs/dbraw/zinc/07/99/87/260079987.db2.gz QWDAXULCWNUAPD-KRWDZBQOSA-N 0 1 283.419 3.757 20 0 CHADMN C[C@H]1CCCC[C@@H]1OCCN1CCCc2occc2C1 ZINC000344244361 225004517 /nfs/dbraw/zinc/00/45/17/225004517.db2.gz FQORXRTWXNOQII-HOCLYGCPSA-N 0 1 277.408 3.623 20 0 CHADMN COC[C@H](NCc1ccc(C)s1)c1ccc(F)cc1 ZINC000344596952 225113975 /nfs/dbraw/zinc/11/39/75/225113975.db2.gz BVJNIUGIBUYAJW-HNNXBMFYSA-N 0 1 279.380 3.673 20 0 CHADMN Nc1ccc2c(c1)CCC[C@@H]2NCc1ccc(F)cc1F ZINC000334856289 225337368 /nfs/dbraw/zinc/33/73/68/225337368.db2.gz OVGSUFFVUMTKSP-KRWDZBQOSA-N 0 1 288.341 3.714 20 0 CHADMN Nc1ccc2c(c1)CCC[C@H]2NCc1cc(F)ccc1F ZINC000334854137 225338341 /nfs/dbraw/zinc/33/83/41/225338341.db2.gz DZEDTOGCHVNSRG-QGZVFWFLSA-N 0 1 288.341 3.714 20 0 CHADMN O=C(c1cnc[nH]1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000346528293 225832799 /nfs/dbraw/zinc/83/27/99/225832799.db2.gz PTTRRDULGCINPT-QGZVFWFLSA-N 0 1 291.354 3.540 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cncc(F)c2)s1 ZINC000347055616 226006465 /nfs/dbraw/zinc/00/64/65/226006465.db2.gz NKASWTGFMWGGSE-CQSZACIVSA-N 0 1 276.380 3.928 20 0 CHADMN COc1ccncc1CN1CCC(c2ccccc2C)CC1 ZINC000347041738 226024837 /nfs/dbraw/zinc/02/48/37/226024837.db2.gz BHQFOMBRGAECGD-UHFFFAOYSA-N 0 1 296.414 3.778 20 0 CHADMN Cc1cccc(CN(C)[C@@H](C)c2ccc(F)cc2)n1 ZINC000347360349 226134055 /nfs/dbraw/zinc/13/40/55/226134055.db2.gz JTGBORAILSAHMM-ZDUSSCGKSA-N 0 1 258.340 3.722 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1cscc1Br ZINC000347656024 226228271 /nfs/dbraw/zinc/22/82/71/226228271.db2.gz TXPMCYFJKZEWEI-MRVPVSSYSA-N 0 1 274.227 3.741 20 0 CHADMN Cc1ccoc1CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000347736618 226234394 /nfs/dbraw/zinc/23/43/94/226234394.db2.gz RLWYDXBNMKBRGZ-LBPRGKRZSA-N 0 1 277.314 3.856 20 0 CHADMN CCn1cncc1CN1CCC[C@@H]1c1ccc(C)s1 ZINC000417798716 226241493 /nfs/dbraw/zinc/24/14/93/226241493.db2.gz UKMNBUGTDVULJU-CQSZACIVSA-N 0 1 275.421 3.610 20 0 CHADMN c1cc2cc(CN3CCOC4(CCCC4)C3)ccc2o1 ZINC000347857763 226385723 /nfs/dbraw/zinc/38/57/23/226385723.db2.gz OLXLVBBRLWWGRY-UHFFFAOYSA-N 0 1 271.360 3.578 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc3occc3c2)n1 ZINC000347864991 226386483 /nfs/dbraw/zinc/38/64/83/226386483.db2.gz MBQXFLIYUGEJLC-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN Cc1ccnc(NCCSCc2ccccc2)c1 ZINC000347759293 226378346 /nfs/dbraw/zinc/37/83/46/226378346.db2.gz XCZWBHFKDASYLO-UHFFFAOYSA-N 0 1 258.390 3.735 20 0 CHADMN C[C@@H]1CCN(Cc2cscc2Br)[C@H]1C ZINC000347921603 226392941 /nfs/dbraw/zinc/39/29/41/226392941.db2.gz QVJAGBPZJKQYAJ-BDAKNGLRSA-N 0 1 274.227 3.741 20 0 CHADMN OC[C@@H]1c2ccccc2CCN1Cc1ccc2occc2c1 ZINC000347875717 226388149 /nfs/dbraw/zinc/38/81/49/226388149.db2.gz XEVLKBIZOAXUSI-GOSISDBHSA-N 0 1 293.366 3.525 20 0 CHADMN Clc1ccc(O[C@H]2CCN(Cc3ccco3)C2)cc1 ZINC000354469845 227006933 /nfs/dbraw/zinc/00/69/33/227006933.db2.gz AGILXCHRNCBPLN-HNNXBMFYSA-N 0 1 277.751 3.586 20 0 CHADMN c1nc(C2CC2)c(C[N@@H+]2CC[C@H](CC3CC3)C2)s1 ZINC000354524754 227023621 /nfs/dbraw/zinc/02/36/21/227023621.db2.gz HQYAXAGOMPRXSF-GFCCVEGCSA-N 0 1 262.422 3.643 20 0 CHADMN Cc1nc(-c2ccc(CN[C@@H](C)c3ccncc3)o2)cs1 ZINC000350518539 227028712 /nfs/dbraw/zinc/02/87/12/227028712.db2.gz VDFYKDROQRZYAO-NSHDSACASA-N 0 1 299.399 3.957 20 0 CHADMN Cc1cnc(CSc2nc3ccc(Cl)cc3[nH]2)cn1 ZINC000352551014 227053237 /nfs/dbraw/zinc/05/32/37/227053237.db2.gz SPCOCFKTQWWASG-UHFFFAOYSA-N 0 1 290.779 3.607 20 0 CHADMN c1oc2ccccc2c1CN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000354716653 227081391 /nfs/dbraw/zinc/08/13/91/227081391.db2.gz YEWCNGDCHDLFEL-MSOLQXFVSA-N 0 1 283.371 3.576 20 0 CHADMN CCCNC(=O)CN(CCC)[C@H](C)c1ccc(Cl)cc1 ZINC000575217804 335083133 /nfs/dbraw/zinc/08/31/33/335083133.db2.gz BWUGXFHSAQADLM-CYBMUJFWSA-N 0 1 296.842 3.639 20 0 CHADMN CCc1nocc1CN(C)CCc1ccc(Cl)cc1 ZINC000350866655 227143621 /nfs/dbraw/zinc/14/36/21/227143621.db2.gz DPWQAOKUNHUVHV-UHFFFAOYSA-N 0 1 278.783 3.565 20 0 CHADMN CCn1cncc1CNC(C)(C)c1cccc(Cl)c1 ZINC000417918514 227169534 /nfs/dbraw/zinc/16/95/34/227169534.db2.gz CBAOTRQEEYGFGA-UHFFFAOYSA-N 0 1 277.799 3.581 20 0 CHADMN C[C@@H](c1cnn(C)c1)N(C)Cc1ccc(C2CCC2)cc1 ZINC000352766100 227200647 /nfs/dbraw/zinc/20/06/47/227200647.db2.gz KXAZJXXAKXMUNS-AWEZNQCLSA-N 0 1 283.419 3.881 20 0 CHADMN Cc1ccc(-c2nc(CN[C@H]3CSC[C@H]3C)cs2)o1 ZINC000352791976 227229052 /nfs/dbraw/zinc/22/90/52/227229052.db2.gz KFDJTHKIIXGKSH-SKDRFNHKSA-N 0 1 294.445 3.553 20 0 CHADMN C[C@@H]1CSC[C@@H]1NCc1csc(-c2ccsc2)n1 ZINC000352796582 227232432 /nfs/dbraw/zinc/23/24/32/227232432.db2.gz GRJQCDMSHPNSGR-SKDRFNHKSA-N 0 1 296.486 3.713 20 0 CHADMN C[C@H]1CSC[C@H]1NCc1csc(C2CCCC2)n1 ZINC000352801209 227239718 /nfs/dbraw/zinc/23/97/18/227239718.db2.gz RYDJKKVGVOGZRP-GXFFZTMASA-N 0 1 282.478 3.642 20 0 CHADMN Cc1cccc([C@@H](N[C@@H]2COC(C)(C)C2)c2ccccn2)c1 ZINC000417967453 227255152 /nfs/dbraw/zinc/25/51/52/227255152.db2.gz OJNCRDMTVZPCBH-FUHWJXTLSA-N 0 1 296.414 3.637 20 0 CHADMN Cc1oncc1CN([C@H](C)c1ccccc1)C1CC1 ZINC000352829890 227306810 /nfs/dbraw/zinc/30/68/10/227306810.db2.gz IHYXYFGFWQTPTL-GFCCVEGCSA-N 0 1 256.349 3.709 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@@H]2C(C)(C)C)c1 ZINC000355024141 227321379 /nfs/dbraw/zinc/32/13/79/227321379.db2.gz QOOZHUYOZBWONZ-CQSZACIVSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1noc([C@@H](C)N[C@@H]2CCCCC23CCCC3)n1 ZINC000329164492 227335683 /nfs/dbraw/zinc/33/56/83/227335683.db2.gz GZMUXGDRSFZYSO-DGCLKSJQSA-N 0 1 263.385 3.532 20 0 CHADMN COc1cccc([C@H]2C[C@@H](C)CN2Cc2conc2C)c1 ZINC000352859164 227343706 /nfs/dbraw/zinc/34/37/06/227343706.db2.gz RIZDOWTUTMKMBB-SJKOYZFVSA-N 0 1 286.375 3.575 20 0 CHADMN CCn1cncc1CN1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000417977698 227347321 /nfs/dbraw/zinc/34/73/21/227347321.db2.gz HIRMIXORDPCZST-UHFFFAOYSA-N 0 1 295.430 3.809 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@H]2CCc3ccc(C(C)C)cc32)c1C ZINC000331721350 228121467 /nfs/dbraw/zinc/12/14/67/228121467.db2.gz KPYMWXGZURNQSQ-INIZCTEOSA-N 0 1 297.402 3.567 20 0 CHADMN Cc1ccncc1CN(C)Cc1cccc(OC(F)F)c1 ZINC000353444672 228103838 /nfs/dbraw/zinc/10/38/38/228103838.db2.gz CCHNQPXYHQSSGO-UHFFFAOYSA-N 0 1 292.329 3.623 20 0 CHADMN Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cnc(C)cn2)cc1 ZINC000353462951 228106571 /nfs/dbraw/zinc/10/65/71/228106571.db2.gz KZLUBXSVKQOZPE-SFHVURJKSA-N 0 1 281.403 3.821 20 0 CHADMN Cc1ccc([C@@H]2CCCCN2Cc2cnc(C)cn2)cc1 ZINC000353462951 228106572 /nfs/dbraw/zinc/10/65/72/228106572.db2.gz KZLUBXSVKQOZPE-SFHVURJKSA-N 0 1 281.403 3.821 20 0 CHADMN Cc1sccc1CN(Cc1cccnc1)C(C)C ZINC000353522682 228114580 /nfs/dbraw/zinc/11/45/80/228114580.db2.gz VKJANPBNQOZNNP-UHFFFAOYSA-N 0 1 260.406 3.862 20 0 CHADMN COC1(C(F)(F)F)CCN(Cc2ccsc2C)CC1 ZINC000418101900 228042351 /nfs/dbraw/zinc/04/23/51/228042351.db2.gz SRYGVLXDCLWBMN-UHFFFAOYSA-N 0 1 293.354 3.600 20 0 CHADMN CCc1nocc1CN1CCC(F)(c2ccccc2)CC1 ZINC000353228518 228071531 /nfs/dbraw/zinc/07/15/31/228071531.db2.gz JFPMKPFLAFQEJK-UHFFFAOYSA-N 0 1 288.366 3.698 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CN(CCCO)Cc2ccccc2)o1 ZINC000353357110 228090078 /nfs/dbraw/zinc/09/00/78/228090078.db2.gz WGOXFTGUZYYUNG-MAUKXSAKSA-N 0 1 299.414 3.788 20 0 CHADMN Cc1ccncc1CN1CC=C(c2ccc(F)cc2)CC1 ZINC000353362174 228090436 /nfs/dbraw/zinc/09/04/36/228090436.db2.gz FICDFCFPQHXYGA-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN C[C@H]1SCCN(Cc2ccco2)[C@@H]1c1ccccc1 ZINC000353802747 228154614 /nfs/dbraw/zinc/15/46/14/228154614.db2.gz IPQNDADWJCKWRH-CJNGLKHVSA-N 0 1 273.401 3.958 20 0 CHADMN CO[C@@H](C)CN(Cc1nc2c(s1)C[C@@H](C)CC2)C(C)C ZINC000353802578 228154754 /nfs/dbraw/zinc/15/47/54/228154754.db2.gz BSHXWIJBPRQHGD-STQMWFEESA-N 0 1 296.480 3.513 20 0 CHADMN CCOc1ccc([C@H](C)N[C@H](c2nccn2C)C2CC2)cc1 ZINC000353882167 228162208 /nfs/dbraw/zinc/16/22/08/228162208.db2.gz QLUWDMKIFMTTHX-GUYCJALGSA-N 0 1 299.418 3.621 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2ccc3ncccc3c2)on1 ZINC000352079756 228180968 /nfs/dbraw/zinc/18/09/68/228180968.db2.gz OXRMNBQZZQZAOS-KRWDZBQOSA-N 0 1 293.370 3.868 20 0 CHADMN Cc1nc2ccc(NC(=O)c3ccc(C(C)C)cn3)cc2[nH]1 ZINC000352145057 228187357 /nfs/dbraw/zinc/18/73/57/228187357.db2.gz DMLLGDCTCYWSKW-UHFFFAOYSA-N 0 1 294.358 3.642 20 0 CHADMN c1cc([C@H]2CCCCN2CCCc2ccsc2)n[nH]1 ZINC000352231231 228202117 /nfs/dbraw/zinc/20/21/17/228202117.db2.gz QHRBNGZAPHBUOV-OAHLLOKOSA-N 0 1 275.421 3.631 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccc1C(F)(F)F)c1ccnn1C ZINC000447529311 260036392 /nfs/dbraw/zinc/03/63/92/260036392.db2.gz LNRHKNQDWLNGMC-QWRGUYRKSA-N 0 1 297.324 3.851 20 0 CHADMN Cc1nc([C@@H](C)NCCCOC2CCCCC2)cs1 ZINC000036915453 260050711 /nfs/dbraw/zinc/05/07/11/260050711.db2.gz ZCWAYBMVZJWUJZ-GFCCVEGCSA-N 0 1 282.453 3.842 20 0 CHADMN c1nc(CN(CCc2ccccc2)Cc2ccccc2)c[nH]1 ZINC000179526178 260052895 /nfs/dbraw/zinc/05/28/95/260052895.db2.gz LKCQFIWXEUBIPR-UHFFFAOYSA-N 0 1 291.398 3.655 20 0 CHADMN CCC(CC)C[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000179630957 260059737 /nfs/dbraw/zinc/05/97/37/260059737.db2.gz PJRDOUWFYJOBNO-UHFFFAOYSA-N 0 1 276.424 3.610 20 0 CHADMN COc1cccc(CN(C)Cc2ccc(C)s2)c1OC ZINC000179628501 260059892 /nfs/dbraw/zinc/05/98/92/260059892.db2.gz PFDGVKPSOHNXTG-UHFFFAOYSA-N 0 1 291.416 3.706 20 0 CHADMN C[C@@H](NCc1ccc(F)c(F)c1)c1cccc(O)c1 ZINC000037150964 260071350 /nfs/dbraw/zinc/07/13/50/260071350.db2.gz PSZPRMABMRNQQN-SNVBAGLBSA-N 0 1 263.287 3.521 20 0 CHADMN COc1ccc2c(c1)[C@H](NCc1cccc(C)c1)CCO2 ZINC000037230848 260076508 /nfs/dbraw/zinc/07/65/08/260076508.db2.gz UAUGAQYXMSMPMO-QGZVFWFLSA-N 0 1 283.371 3.617 20 0 CHADMN Cc1cccc(C[N@@H+](C)CC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000517750352 260090875 /nfs/dbraw/zinc/09/08/75/260090875.db2.gz DQKPKEHDYJUOQE-GOSISDBHSA-N 0 1 297.398 3.685 20 0 CHADMN CC[C@@H](NCc1cccnc1OC)c1ccc(Cl)cc1 ZINC000037650377 260115360 /nfs/dbraw/zinc/11/53/60/260115360.db2.gz MTQOFIVFGUFQDP-OAHLLOKOSA-N 0 1 290.794 3.985 20 0 CHADMN COc1ncccc1CN[C@@H](CC(C)C)c1ccccc1 ZINC000037650504 260115695 /nfs/dbraw/zinc/11/56/95/260115695.db2.gz KZUIDEPABGWFBK-KRWDZBQOSA-N 0 1 284.403 3.967 20 0 CHADMN Cc1ccccc1CNCc1ccc2ccccc2n1 ZINC000037855417 260118887 /nfs/dbraw/zinc/11/88/87/260118887.db2.gz ZHBZUKFUJMIHKM-UHFFFAOYSA-N 0 1 262.356 3.833 20 0 CHADMN C[C@H](N[C@H](CO)c1ccccc1)c1cnc2ccsc2c1 ZINC000068692030 260146214 /nfs/dbraw/zinc/14/62/14/260146214.db2.gz RQZDKWQENXUBRH-BLLLJJGKSA-N 0 1 298.411 3.681 20 0 CHADMN CC[C@H](CNCc1cc(Cl)sc1Cl)OC ZINC000312558144 260148561 /nfs/dbraw/zinc/14/85/61/260148561.db2.gz LBGVCVNTCJUKQZ-MRVPVSSYSA-N 0 1 268.209 3.570 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1nccn1C)c1ccc(F)cc1 ZINC000070444084 260157275 /nfs/dbraw/zinc/15/72/75/260157275.db2.gz KMSMLYOKFRBXFC-WFASDCNBSA-N 0 1 275.371 3.607 20 0 CHADMN Fc1ccc(F)c(CNCc2cccc3[nH]ccc32)c1 ZINC000070941085 260158586 /nfs/dbraw/zinc/15/85/86/260158586.db2.gz CWNVNFYGDOTUEM-UHFFFAOYSA-N 0 1 272.298 3.736 20 0 CHADMN CC1(C)Cc2cc(CNCc3ccccc3F)ccc2O1 ZINC000071170115 260160504 /nfs/dbraw/zinc/16/05/04/260160504.db2.gz KNOCAPREHPTGQF-UHFFFAOYSA-N 0 1 285.362 3.829 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000079349337 260175806 /nfs/dbraw/zinc/17/58/06/260175806.db2.gz VTUNOVZLCRNOBP-HNNXBMFYSA-N 0 1 275.392 3.643 20 0 CHADMN Cc1ncsc1CN(C)CCSc1ccccc1 ZINC000079618923 260176134 /nfs/dbraw/zinc/17/61/34/260176134.db2.gz ICYIPJFZIJHPLG-UHFFFAOYSA-N 0 1 278.446 3.676 20 0 CHADMN C[NH+](C)[C@@H](CNCc1ccsc1Cl)c1ccccc1 ZINC000312622797 260184692 /nfs/dbraw/zinc/18/46/92/260184692.db2.gz KYWZHVPMQKFMBQ-AWEZNQCLSA-N 0 1 294.851 3.794 20 0 CHADMN O=c1ccc2c([nH]1)CCC[C@@H]2NCc1ccsc1Cl ZINC000312750046 260196632 /nfs/dbraw/zinc/19/66/32/260196632.db2.gz GDRPADXNPHNMIR-NSHDSACASA-N 0 1 294.807 3.669 20 0 CHADMN O=C(NCc1cccc(Cl)c1)c1ccc(O)c(Cl)c1 ZINC000051448967 260209424 /nfs/dbraw/zinc/20/94/24/260209424.db2.gz LKCXIOKLXNGXPD-UHFFFAOYSA-N 0 1 296.153 3.629 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000086809416 260209922 /nfs/dbraw/zinc/20/99/22/260209922.db2.gz NUZRTPKNYNONAM-LLVKDONJSA-N 0 1 299.773 3.556 20 0 CHADMN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000087406904 260214112 /nfs/dbraw/zinc/21/41/12/260214112.db2.gz ORFQPXFFJRYXCL-MNOVXSKESA-N 0 1 277.799 3.794 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2cc(C)oc2C)cc1 ZINC000088568332 260233937 /nfs/dbraw/zinc/23/39/37/260233937.db2.gz SAVOLETZCXLHOK-ZDUSSCGKSA-N 0 1 273.376 3.894 20 0 CHADMN CCc1ccccc1CN[C@H](C)c1ccc(F)cn1 ZINC000092196454 260268839 /nfs/dbraw/zinc/26/88/39/260268839.db2.gz YQJZRYMQUMXTNK-GFCCVEGCSA-N 0 1 258.340 3.634 20 0 CHADMN CCc1nn(C)cc1CN[C@@H](C)c1ccc(SC)cc1 ZINC000092367857 260269297 /nfs/dbraw/zinc/26/92/97/260269297.db2.gz UPABVVGEMYPRGE-LBPRGKRZSA-N 0 1 289.448 3.555 20 0 CHADMN CCc1nn(C)cc1CN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000092374420 260269538 /nfs/dbraw/zinc/26/95/38/260269538.db2.gz QTXACCQZVHLDPE-SNVBAGLBSA-N 0 1 295.789 3.626 20 0 CHADMN Oc1ccc(-c2nc(C3CCSCC3)no2)cc1Cl ZINC000402312352 260273831 /nfs/dbraw/zinc/27/38/31/260273831.db2.gz QLFJCVYRENDGHQ-UHFFFAOYSA-N 0 1 296.779 3.706 20 0 CHADMN COCc1ccc(CN[C@@H](C)c2ccc(C)cc2)o1 ZINC000125812983 260344015 /nfs/dbraw/zinc/34/40/15/260344015.db2.gz LAVWQXSKSDPPJF-ZDUSSCGKSA-N 0 1 259.349 3.585 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H](C)CC[C@@H]1C)c1nc(C(C)(C)C)no1 ZINC000449278971 260345984 /nfs/dbraw/zinc/34/59/84/260345984.db2.gz NHKIVYCTMHSCKC-YVECIDJPSA-N 0 1 279.428 3.842 20 0 CHADMN CC(C)C[N@@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)C1CC1 ZINC000518200871 260355421 /nfs/dbraw/zinc/35/54/21/260355421.db2.gz PDPBAPTWMJZTGU-UHFFFAOYSA-N 0 1 281.783 3.659 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNCc2ccc3[nH]cnc3c2)o1 ZINC000518272950 260366021 /nfs/dbraw/zinc/36/60/21/260366021.db2.gz XUBJNWYXWPVJOD-SMDDNHRTSA-N 0 1 281.359 3.569 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNCc2ccc3nc[nH]c3c2)o1 ZINC000518272950 260366023 /nfs/dbraw/zinc/36/60/23/260366023.db2.gz XUBJNWYXWPVJOD-SMDDNHRTSA-N 0 1 281.359 3.569 20 0 CHADMN Cc1ccc(OCCNCc2c(F)cccc2F)c(C)c1 ZINC000518276558 260366638 /nfs/dbraw/zinc/36/66/38/260366638.db2.gz BIMXSAVVNOYAPT-UHFFFAOYSA-N 0 1 291.341 3.750 20 0 CHADMN COc1ccc(CN2CCCCC[C@H]2c2ccco2)cn1 ZINC000085820607 260379641 /nfs/dbraw/zinc/37/96/41/260379641.db2.gz BHNVDQPFQAFMOR-HNNXBMFYSA-N 0 1 286.375 3.801 20 0 CHADMN CC(C)(C)C1CCC(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000130287388 260395101 /nfs/dbraw/zinc/39/51/01/260395101.db2.gz DPSBXHJYUFKZBN-SHARSMKWSA-N 0 1 281.440 3.636 20 0 CHADMN COCc1ccc([C@H]2CCCN2C/C=C/c2ccncc2)o1 ZINC000426144953 260438415 /nfs/dbraw/zinc/43/84/15/260438415.db2.gz XEXOKKVBYSYWRF-NKEDHYFDSA-N 0 1 298.386 3.671 20 0 CHADMN CC[C@H](C)N[C@H](c1ccco1)c1ccccc1OC ZINC000090534392 260461686 /nfs/dbraw/zinc/46/16/86/260461686.db2.gz KGHGTNVEDFAKKK-LRDDRELGSA-N 0 1 259.349 3.766 20 0 CHADMN CN(C)c1cccc(CN[C@H]2CC(C)(C)Cc3occc32)n1 ZINC000090852244 260467797 /nfs/dbraw/zinc/46/77/97/260467797.db2.gz SSVPNTKTGNZWCU-HNNXBMFYSA-N 0 1 299.418 3.544 20 0 CHADMN FCC(CF)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000449380986 260471692 /nfs/dbraw/zinc/47/16/92/260471692.db2.gz PWVDZQOAWZURNH-AWEZNQCLSA-N 0 1 269.310 3.659 20 0 CHADMN Cc1cnc(C(=O)N(CC2CCC2)c2ccccc2)c(O)c1 ZINC000427164265 260561947 /nfs/dbraw/zinc/56/19/47/260561947.db2.gz LZNBOIBPQINZJW-UHFFFAOYSA-N 0 1 296.370 3.543 20 0 CHADMN Cc1cnc(C(=O)N2CCC[C@@H](C)c3ccccc32)c(O)c1 ZINC000408372839 260819249 /nfs/dbraw/zinc/81/92/49/260819249.db2.gz JTPZFOKDIGAMAP-CYBMUJFWSA-N 0 1 296.370 3.640 20 0 CHADMN FC(F)n1c2ccccc2nc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000152762637 261069098 /nfs/dbraw/zinc/06/90/98/261069098.db2.gz OVWCQMVZRHSVFQ-TXEJJXNPSA-N 0 1 291.345 3.663 20 0 CHADMN CC[C@@H](COC)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000152967026 261072206 /nfs/dbraw/zinc/07/22/06/261072206.db2.gz YEVUSTZHWBZLDR-JSGCOSHPSA-N 0 1 290.432 3.886 20 0 CHADMN c1ccc2nc(CN3CCC[C@H]3c3ccncc3)ccc2c1 ZINC000153890105 261084380 /nfs/dbraw/zinc/08/43/80/261084380.db2.gz FFBWLTXKDHJUAW-IBGZPJMESA-N 0 1 289.382 3.967 20 0 CHADMN CCN(Cc1nnc(-c2ccccc2)s1)CC(C)C ZINC000155107603 261098348 /nfs/dbraw/zinc/09/83/48/261098348.db2.gz OEFKXEWYSIURAO-UHFFFAOYSA-N 0 1 275.421 3.683 20 0 CHADMN c1cc(CN2CCC[C@@H]3CCC[C@H]32)n(-c2ccccc2)n1 ZINC000448336122 261117285 /nfs/dbraw/zinc/11/72/85/261117285.db2.gz ZPQPDVCGISRSKF-MAUKXSAKSA-N 0 1 281.403 3.637 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1ncc(C(C)(C)C)s1 ZINC000448337643 261118799 /nfs/dbraw/zinc/11/87/99/261118799.db2.gz RRUCVZLNPKRPLU-PHIMTYICSA-N 0 1 252.427 3.813 20 0 CHADMN CCN(Cc1cnc(-c2ccc(C)o2)s1)C[C@H](C)OC ZINC000361022728 261150096 /nfs/dbraw/zinc/15/00/96/261150096.db2.gz POLAHQZZFKCMBE-LBPRGKRZSA-N 0 1 294.420 3.568 20 0 CHADMN COc1cccc(CN(C)[C@H](C)c2cccs2)c1OC ZINC000157831625 261153362 /nfs/dbraw/zinc/15/33/62/261153362.db2.gz RYEMFCCXJKZSLW-GFCCVEGCSA-N 0 1 291.416 3.958 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)c3ccoc3)c2C1 ZINC000158277620 261162522 /nfs/dbraw/zinc/16/25/22/261162522.db2.gz QDHCEHASTPNNAY-UHFFFAOYSA-N 0 1 284.359 3.504 20 0 CHADMN C[C@@H](N[C@H](C)C1CCCC1)c1nc(Cc2ccccc2)no1 ZINC000173777593 261169782 /nfs/dbraw/zinc/16/97/82/261169782.db2.gz UOGXMUQRPHPDBU-ZIAGYGMSSA-N 0 1 299.418 3.890 20 0 CHADMN Cc1ccccc1CN1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000464843963 261241228 /nfs/dbraw/zinc/24/12/28/261241228.db2.gz BKROIBUNCSDCAW-LPHOPBHVSA-N 0 1 281.399 3.957 20 0 CHADMN CC(C)[C@H](C)NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000162255134 261275033 /nfs/dbraw/zinc/27/50/33/261275033.db2.gz HIEPQCJXXIREIX-QMMMGPOBSA-N 0 1 296.321 3.667 20 0 CHADMN C[C@@H](NCCSc1ccccc1)c1cscn1 ZINC000162326489 261277994 /nfs/dbraw/zinc/27/79/94/261277994.db2.gz VRPSQCSBNSLZOC-LLVKDONJSA-N 0 1 264.419 3.586 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccccc1OC)c1ccncc1 ZINC000163685951 261325218 /nfs/dbraw/zinc/32/52/18/261325218.db2.gz GFICBWZAVZEYQM-BBRMVZONSA-N 0 1 270.376 3.892 20 0 CHADMN COCCN(Cc1c(F)cccc1F)[C@@H]1CC[C@H](C)C1 ZINC000361630729 261361256 /nfs/dbraw/zinc/36/12/56/261361256.db2.gz OAVQAXOWAJUIMB-QWHCGFSZSA-N 0 1 283.362 3.602 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000177556406 261362451 /nfs/dbraw/zinc/36/24/51/261362451.db2.gz JJNBAJHBYRXMHK-JHJVBQTASA-N 0 1 277.412 3.550 20 0 CHADMN CCc1ccccc1CNCc1cc(F)ccc1F ZINC000107929095 261382314 /nfs/dbraw/zinc/38/23/14/261382314.db2.gz YBNZPDWVEFOVPW-UHFFFAOYSA-N 0 1 261.315 3.817 20 0 CHADMN CCc1noc(CC)c1CN[C@@H]1CCc2ccccc21 ZINC000166945234 261395804 /nfs/dbraw/zinc/39/58/04/261395804.db2.gz OMFIMCDCODAHAK-MRXNPFEDSA-N 0 1 270.376 3.577 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@H]2CCc3cc(F)ccc32)cn1 ZINC000178089650 261725423 /nfs/dbraw/zinc/72/54/23/261725423.db2.gz ZAAXRAGMTGSXIW-PXAZEXFGSA-N 0 1 287.382 3.941 20 0 CHADMN FC(F)(F)[C@@H]1CCCN(CC2=Cc3ccccc3OC2)C1 ZINC000179621775 261803304 /nfs/dbraw/zinc/80/33/04/261803304.db2.gz XHECWBYKCCIXSZ-CQSZACIVSA-N 0 1 297.320 3.737 20 0 CHADMN Cc1c([C@@H](C)Nc2cc(C)nc3ccc(F)cc32)cnn1C ZINC000180395193 261857714 /nfs/dbraw/zinc/85/77/14/261857714.db2.gz SVGVXYZHXSRTOL-LLVKDONJSA-N 0 1 298.365 3.897 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000181547888 261902078 /nfs/dbraw/zinc/90/20/78/261902078.db2.gz LZVCXIAIGIFFEO-MRXNPFEDSA-N 0 1 275.392 3.859 20 0 CHADMN CN(Cc1ccc(C(F)F)cc1)Cc1cccnc1 ZINC000183981498 262003846 /nfs/dbraw/zinc/00/38/46/262003846.db2.gz FGNGEYZAZKETIO-UHFFFAOYSA-N 0 1 262.303 3.651 20 0 CHADMN Cc1cncc([C@@H](C)N[C@H]2CCCc3occc32)c1 ZINC000184275761 262015227 /nfs/dbraw/zinc/01/52/27/262015227.db2.gz RFLWTNQLAFKZAQ-DOMZBBRYSA-N 0 1 256.349 3.711 20 0 CHADMN FC(F)c1ccc(CSc2nc(C3CC3)n[nH]2)cc1 ZINC000185732647 262068505 /nfs/dbraw/zinc/06/85/05/262068505.db2.gz CGPDULZHDSVUGJ-UHFFFAOYSA-N 0 1 281.331 3.912 20 0 CHADMN FC(F)c1ccc(CSc2n[nH]c(C3CC3)n2)cc1 ZINC000185732647 262068507 /nfs/dbraw/zinc/06/85/07/262068507.db2.gz CGPDULZHDSVUGJ-UHFFFAOYSA-N 0 1 281.331 3.912 20 0 CHADMN Cc1ccc(SC[C@H](C)NCc2cscn2)cc1 ZINC000185798543 262072128 /nfs/dbraw/zinc/07/21/28/262072128.db2.gz JFSMXPZEAJITEA-LBPRGKRZSA-N 0 1 278.446 3.722 20 0 CHADMN Cc1ccccc1[C@H](C)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000186002943 262074936 /nfs/dbraw/zinc/07/49/36/262074936.db2.gz DAXUQBDGKIYFMD-LBPRGKRZSA-N 0 1 299.336 3.899 20 0 CHADMN CC[C@@H](C)[C@@H](C)NCc1ncc(-c2ccccc2)cn1 ZINC000186049831 262077390 /nfs/dbraw/zinc/07/73/90/262077390.db2.gz QHVUAFNUVZXVCS-ZIAGYGMSSA-N 0 1 269.392 3.668 20 0 CHADMN C[C@@H](NCCOCc1ccccc1)c1ccc(F)cc1F ZINC000390056853 262094784 /nfs/dbraw/zinc/09/47/84/262094784.db2.gz OPMJFWHRZLTPLA-CYBMUJFWSA-N 0 1 291.341 3.832 20 0 CHADMN C[C@@H](NCCOCc1ccccc1)c1cc(F)ccc1F ZINC000390052618 262095308 /nfs/dbraw/zinc/09/53/08/262095308.db2.gz JWWYFBYOFXJARO-CYBMUJFWSA-N 0 1 291.341 3.832 20 0 CHADMN OCC[C@H](N[C@H]1CCCc2cc(F)ccc21)c1ccco1 ZINC000186517689 262096096 /nfs/dbraw/zinc/09/60/96/262096096.db2.gz KLHNZQFPWRNVMT-HOTGVXAUSA-N 0 1 289.350 3.509 20 0 CHADMN OCC[C@H](N[C@@H]1CCCc2cc(F)ccc21)c1ccco1 ZINC000186517652 262096308 /nfs/dbraw/zinc/09/63/08/262096308.db2.gz KLHNZQFPWRNVMT-CVEARBPZSA-N 0 1 289.350 3.509 20 0 CHADMN Cc1[nH]ncc1CNc1ccc(OC(C)C)cc1Cl ZINC000186530892 262097122 /nfs/dbraw/zinc/09/71/22/262097122.db2.gz CYTWQGQCXFXSOV-UHFFFAOYSA-N 0 1 279.771 3.771 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](CCO)c2ccco2)s1 ZINC000186548675 262098349 /nfs/dbraw/zinc/09/83/49/262098349.db2.gz KVYUNYANMOQTRP-WCQYABFASA-N 0 1 279.405 3.678 20 0 CHADMN CC[C@@H](N[C@H](CCO)c1ccco1)c1ccc(C)cc1 ZINC000186554944 262099321 /nfs/dbraw/zinc/09/93/21/262099321.db2.gz INPITEGQLZYOMH-HZPDHXFCSA-N 0 1 273.376 3.752 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)N2CCCC3(CC3)C2)n1 ZINC000186975918 262119095 /nfs/dbraw/zinc/11/90/95/262119095.db2.gz MGZAJGFHBKFTHM-CQSZACIVSA-N 0 1 297.402 3.982 20 0 CHADMN COc1ccc(-c2nc(CN3CCCC4(CC4)C3)co2)cc1 ZINC000187005846 262121026 /nfs/dbraw/zinc/12/10/26/262121026.db2.gz ROKUOBCKSYQZBN-UHFFFAOYSA-N 0 1 298.386 3.726 20 0 CHADMN Fc1ccccc1-c1cnc(CN2CCCC3(CC3)C2)o1 ZINC000187003299 262121178 /nfs/dbraw/zinc/12/11/78/262121178.db2.gz XAPUIXRQOOYBSC-UHFFFAOYSA-N 0 1 286.350 3.857 20 0 CHADMN COc1ccc2ccccc2c1CN1CCO[C@@H](C(C)C)C1 ZINC000497258948 262126593 /nfs/dbraw/zinc/12/65/93/262126593.db2.gz CDRWZYWMUFBSRT-LJQANCHMSA-N 0 1 299.414 3.705 20 0 CHADMN C[C@@H]1CCC[C@H](C(=O)Nc2cccc(Cl)c2O)C1 ZINC000525755940 262134405 /nfs/dbraw/zinc/13/44/05/262134405.db2.gz CAAOAKBKMQVCGT-ZJUUUORDSA-N 0 1 267.756 3.810 20 0 CHADMN C[C@@H]1CCC[C@@H](N[C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000497409445 262157054 /nfs/dbraw/zinc/15/70/54/262157054.db2.gz XPGPAYSTXRLIBB-MZMPZRCHSA-N 0 1 299.393 3.873 20 0 CHADMN C[C@H](N[C@@H]1CCCc2occc21)c1ccc2c(c1)OCCO2 ZINC000120772915 262229657 /nfs/dbraw/zinc/22/96/57/262229657.db2.gz WZDPXXWBBQJSGX-SWLSCSKDSA-N 0 1 299.370 3.779 20 0 CHADMN CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCCc3occc32)c1 ZINC000120782333 262230045 /nfs/dbraw/zinc/23/00/45/262230045.db2.gz PHUBJANBPYINRO-YVEFUNNKSA-N 0 1 298.386 3.966 20 0 CHADMN C[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H](C)S1 ZINC000525787066 262237681 /nfs/dbraw/zinc/23/76/81/262237681.db2.gz IAFRBQPNCMWLNG-PHIMTYICSA-N 0 1 255.814 3.666 20 0 CHADMN COc1ccccc1CNCc1ccc2ncccc2c1 ZINC000020248105 262244185 /nfs/dbraw/zinc/24/41/85/262244185.db2.gz DEXHUFQVOWYUCY-UHFFFAOYSA-N 0 1 278.355 3.533 20 0 CHADMN Oc1cc(F)cc(CN[C@H]2CCSc3ccccc32)c1 ZINC000184138898 262271483 /nfs/dbraw/zinc/27/14/83/262271483.db2.gz XPTGCYMHLJVAPG-HNNXBMFYSA-N 0 1 289.375 3.858 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3[C@@H](C)CC[C@@H]3C)n[nH]2)c(C)c1 ZINC000186326655 262314079 /nfs/dbraw/zinc/31/40/79/262314079.db2.gz YTZMUUUAFMXJOK-KBPBESRZSA-N 0 1 297.402 3.707 20 0 CHADMN C[C@@H](N[C@@H](C)CC(F)(F)F)c1cc(F)ccc1F ZINC000221896898 262320509 /nfs/dbraw/zinc/32/05/09/262320509.db2.gz OBNWHEVBQKKZRJ-JGVFFNPUSA-N 0 1 267.241 3.956 20 0 CHADMN Cc1oc2ccccc2c1CN[C@H](CO)c1ccccc1 ZINC000121283362 262336508 /nfs/dbraw/zinc/33/65/08/262336508.db2.gz YFYMVAHBEZQUQI-QGZVFWFLSA-N 0 1 281.355 3.564 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@H]2CCCC2(F)F)c1Cl ZINC000390895622 262359701 /nfs/dbraw/zinc/35/97/01/262359701.db2.gz CWSHBDBLIGVFCS-SNVBAGLBSA-N 0 1 275.726 3.571 20 0 CHADMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1nccn1C(C)C)C1CC1 ZINC000171929027 335085270 /nfs/dbraw/zinc/08/52/70/335085270.db2.gz PINUMRZWSUZCOI-KGLIPLIRSA-N 0 1 263.429 3.863 20 0 CHADMN CC[C@@H](C)[C@H](C)N(Cc1nccn1C(C)C)C1CC1 ZINC000171929027 335085271 /nfs/dbraw/zinc/08/52/71/335085271.db2.gz PINUMRZWSUZCOI-KGLIPLIRSA-N 0 1 263.429 3.863 20 0 CHADMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1nccn1C(C)C)C1CC1 ZINC000171929024 335085295 /nfs/dbraw/zinc/08/52/95/335085295.db2.gz PINUMRZWSUZCOI-UONOGXRCSA-N 0 1 263.429 3.863 20 0 CHADMN CC[C@H](C)[C@@H](C)N(Cc1nccn1C(C)C)C1CC1 ZINC000171929024 335085296 /nfs/dbraw/zinc/08/52/96/335085296.db2.gz PINUMRZWSUZCOI-UONOGXRCSA-N 0 1 263.429 3.863 20 0 CHADMN CCC1(C(=O)NCc2nc3cccc(C)c3[nH]2)CCCCC1 ZINC000461113128 262383719 /nfs/dbraw/zinc/38/37/19/262383719.db2.gz VLRPDGNOKURRAE-UHFFFAOYSA-N 0 1 299.418 3.848 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(Cl)s1 ZINC000227224253 262386345 /nfs/dbraw/zinc/38/63/45/262386345.db2.gz PCHXSEWHPCJMAH-DLOVCJGASA-N 0 1 299.823 3.619 20 0 CHADMN CC1(C)CC[C@H](CSc2nc(-c3ccccc3)n[nH]2)O1 ZINC000412982427 262750034 /nfs/dbraw/zinc/75/00/34/262750034.db2.gz IYZZOEJXQVDQKP-GFCCVEGCSA-N 0 1 289.404 3.521 20 0 CHADMN Cc1nc([C@H](C)S[C@H]2CCCc3ccccc32)n[nH]1 ZINC000412992818 262750674 /nfs/dbraw/zinc/75/06/74/262750674.db2.gz NBCKIVBHRKKPNA-HZMBPMFUSA-N 0 1 273.405 3.985 20 0 CHADMN Fc1cc(F)cc(CNCc2cc3c(cccc3F)[nH]2)c1 ZINC000436280687 262812058 /nfs/dbraw/zinc/81/20/58/262812058.db2.gz NIDSOJGPHPVSNU-UHFFFAOYSA-N 0 1 290.288 3.875 20 0 CHADMN CCc1ccc([C@@H](CC)NCc2ccn(CC)n2)cc1 ZINC000414202704 262818062 /nfs/dbraw/zinc/81/80/62/262818062.db2.gz DIAWPSGSPHRSGO-QGZVFWFLSA-N 0 1 271.408 3.706 20 0 CHADMN Cc1c([C@H](C)N[C@@H]2CCCC[C@H]2F)cnn1C(C)(C)C ZINC000414315156 262842285 /nfs/dbraw/zinc/84/22/85/262842285.db2.gz RPPJAJNWIRPEDU-NILFDRSVSA-N 0 1 281.419 3.878 20 0 CHADMN C[C@H](CCC1CCCC1)NCc1nnc(C2CC2)s1 ZINC000414321080 262843075 /nfs/dbraw/zinc/84/30/75/262843075.db2.gz DDZCGRMLCUWFGT-LLVKDONJSA-N 0 1 279.453 3.864 20 0 CHADMN C[C@H](CCc1ccsc1)NCc1nnc(C2CC2)s1 ZINC000414326307 262844335 /nfs/dbraw/zinc/84/43/35/262844335.db2.gz NGZXIHAKKVEQKB-SNVBAGLBSA-N 0 1 293.461 3.588 20 0 CHADMN Cc1ccc(CN2CCC(CCc3ccccc3)CC2)nn1 ZINC000414375442 262856551 /nfs/dbraw/zinc/85/65/51/262856551.db2.gz YUWOIHNLHCNCMV-UHFFFAOYSA-N 0 1 295.430 3.630 20 0 CHADMN Cc1occc1CN[C@H]1CCCc2c(F)cccc21 ZINC000414458092 262941481 /nfs/dbraw/zinc/94/14/81/262941481.db2.gz LZAYXXUJOGYCAR-INIZCTEOSA-N 0 1 259.324 3.894 20 0 CHADMN C/C(=C/c1ccc(C)cc1)c1nc([C@@H](N)CC(C)C)no1 ZINC000414609992 263008892 /nfs/dbraw/zinc/00/88/92/263008892.db2.gz AINZWLSARHOPMQ-WVUXNXBLSA-N 0 1 285.391 3.984 20 0 CHADMN CCC(CC)[C@H](C)c1nc([C@@H](N)CC(C)C)no1 ZINC000414611567 263009454 /nfs/dbraw/zinc/00/94/54/263009454.db2.gz CJVXABJVBVZBFL-JQWIXIFHSA-N 0 1 253.390 3.655 20 0 CHADMN CC1(C)CCCC[C@@H]1Cc1nc(C2(N)CCCC2)no1 ZINC000414610950 263009488 /nfs/dbraw/zinc/00/94/88/263009488.db2.gz BUSHXOYDKSHWSC-GFCCVEGCSA-N 0 1 277.412 3.557 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2ccc(C(C)C)s2)n1 ZINC000414622812 263014966 /nfs/dbraw/zinc/01/49/66/263014966.db2.gz SUBGGCWUZQTLNI-JTQLQIEISA-N 0 1 279.409 3.967 20 0 CHADMN Cc1c(Cl)cccc1-c1nc([C@H](N)CC(C)C)no1 ZINC000414625485 263016040 /nfs/dbraw/zinc/01/60/40/263016040.db2.gz WYTWWZCWFOVVOX-GFCCVEGCSA-N 0 1 279.771 3.744 20 0 CHADMN CC(C)c1ccc(-c2nc(C3(N)CCC3)no2)cc1Cl ZINC000414625426 263016050 /nfs/dbraw/zinc/01/60/50/263016050.db2.gz IDNYSYUVVWMEDO-UHFFFAOYSA-N 0 1 291.782 3.851 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1CC(C)(C)C1 ZINC000414634292 263018257 /nfs/dbraw/zinc/01/82/57/263018257.db2.gz BKROUSRINWCMNQ-UHFFFAOYSA-N 0 1 275.392 3.784 20 0 CHADMN Cc1ccc(Cc2nc([C@@H](N)CC(C)C)no2)c(Cl)c1 ZINC000414633135 263018356 /nfs/dbraw/zinc/01/83/56/263018356.db2.gz YQLILVLJTRZAEJ-ZDUSSCGKSA-N 0 1 293.798 3.668 20 0 CHADMN CC[C@H](C)[N@@H+](CC(=O)[O-])[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414675421 263030852 /nfs/dbraw/zinc/03/08/52/263030852.db2.gz GHXMNEHKVDCYKD-ZVZYQTTQSA-N 0 1 289.419 3.682 20 0 CHADMN Fc1cc(F)cc(CN[C@H](c2cccnc2)C2CC2)c1 ZINC000340103880 263070832 /nfs/dbraw/zinc/07/08/32/263070832.db2.gz GARVMNNCNWKNKS-INIZCTEOSA-N 0 1 274.314 3.601 20 0 CHADMN Cc1cc([C@H](C)NCC2(c3ccccc3C)CC2)no1 ZINC000283833008 263084577 /nfs/dbraw/zinc/08/45/77/263084577.db2.gz AQVXDAMVPCZQOS-AWEZNQCLSA-N 0 1 270.376 3.674 20 0 CHADMN CO[C@H]1CCN([C@@H](C)c2ccc(F)c(F)c2)CC1(C)C ZINC000296113004 263185967 /nfs/dbraw/zinc/18/59/67/263185967.db2.gz RKVNMJIPCQSKDL-NHYWBVRUSA-N 0 1 283.362 3.773 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@H](C)n3ccnc31)CCC2 ZINC000297330622 263203316 /nfs/dbraw/zinc/20/33/16/263203316.db2.gz NXROGHIZZNZZJM-IAOVAPTHSA-N 0 1 281.403 3.865 20 0 CHADMN CC(C)(O)c1ccc(CNCc2ccccc2Cl)cc1 ZINC000187511188 263261004 /nfs/dbraw/zinc/26/10/04/263261004.db2.gz UDZXZKMKCZWQCQ-UHFFFAOYSA-N 0 1 289.806 3.857 20 0 CHADMN CCN(Cc1ncc(C)s1)[C@@H](C)Cc1ccsc1 ZINC000187797609 263268773 /nfs/dbraw/zinc/26/87/73/263268773.db2.gz ZUDPCJJMISYTOA-NSHDSACASA-N 0 1 280.462 3.966 20 0 CHADMN CC(C)c1ccc2c(c1)[C@@H](N[C@H](C)c1nccn1C)CC2 ZINC000187801872 263268879 /nfs/dbraw/zinc/26/88/79/263268879.db2.gz NMXYQMXZMOAVAU-DYVFJYSZSA-N 0 1 283.419 3.882 20 0 CHADMN CCC1CC(NCc2csc(-c3ccco3)n2)C1 ZINC000342713151 263477781 /nfs/dbraw/zinc/47/77/81/263477781.db2.gz SGCYKJMTBITCRO-UHFFFAOYSA-N 0 1 262.378 3.681 20 0 CHADMN Cc1cnc(CN[C@H](C)c2c(C)cccc2C)s1 ZINC000342793751 263486670 /nfs/dbraw/zinc/48/66/70/263486670.db2.gz JEESQDIZNPJQLZ-CYBMUJFWSA-N 0 1 260.406 3.919 20 0 CHADMN CN(C(=O)c1cnc(C2CC2)[nH]1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416293420 263688356 /nfs/dbraw/zinc/68/83/56/263688356.db2.gz QPWPKMHQUFKGRG-JSGCOSHPSA-N 0 1 289.423 3.574 20 0 CHADMN C[C@@H](CCCO)Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000126043823 264130649 /nfs/dbraw/zinc/13/06/49/264130649.db2.gz BMUQDHHENUYGFI-JTQLQIEISA-N 0 1 298.308 3.827 20 0 CHADMN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ncc(C(C)(C)C)s1 ZINC000331301874 264200165 /nfs/dbraw/zinc/20/01/65/264200165.db2.gz CJEAYLZMTQOIMU-GHMZBOCLSA-N 0 1 295.452 3.576 20 0 CHADMN Cc1cnc(CN2CC(C)(C)C[C@H]2c2ccccc2)n1C ZINC000425371446 264202256 /nfs/dbraw/zinc/20/22/56/264202256.db2.gz LMDJYVBRBSWKPJ-INIZCTEOSA-N 0 1 283.419 3.702 20 0 CHADMN Cc1c[nH]nc1CN1CC(C)(C)C[C@H]1c1ccccc1 ZINC000425374857 264203700 /nfs/dbraw/zinc/20/37/00/264203700.db2.gz SWUVFXOCNTYSPJ-INIZCTEOSA-N 0 1 269.392 3.691 20 0 CHADMN FC(F)CC1CN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000425367793 264213514 /nfs/dbraw/zinc/21/35/14/264213514.db2.gz USJIVFNUNJKXIC-UHFFFAOYSA-N 0 1 294.370 3.897 20 0 CHADMN CCOc1c(Cl)cccc1CN1CC[C@H](C)[C@H](OC)C1 ZINC000425958783 264226552 /nfs/dbraw/zinc/22/65/52/264226552.db2.gz PCDFGCINOIASFH-SWLSCSKDSA-N 0 1 297.826 3.596 20 0 CHADMN CCOc1c(Cl)cccc1CN1CC[C@@H](C)[C@@H](OC)C1 ZINC000425958781 264226597 /nfs/dbraw/zinc/22/65/97/264226597.db2.gz PCDFGCINOIASFH-DOMZBBRYSA-N 0 1 297.826 3.596 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H](C)c1ccc2c(c1)CCC2 ZINC000188768812 264241356 /nfs/dbraw/zinc/24/13/56/264241356.db2.gz GHLBXIOTAOSCHY-KGLIPLIRSA-N 0 1 296.414 3.991 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H]1CCc2ccc(C)cc21 ZINC000188777560 264242173 /nfs/dbraw/zinc/24/21/73/264242173.db2.gz DUGIHFKTJVXJBG-GUYCJALGSA-N 0 1 282.387 3.737 20 0 CHADMN COc1cnccc1[C@H](C)N[C@H](C)c1ccc(C)cc1 ZINC000188785894 264242210 /nfs/dbraw/zinc/24/22/10/264242210.db2.gz LAXFJQWLAMCDFA-KGLIPLIRSA-N 0 1 270.376 3.810 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H](C)c1ccccc1N(C)C ZINC000188770275 264242264 /nfs/dbraw/zinc/24/22/64/264242264.db2.gz PSRQWKJVNRUULN-KBPBESRZSA-N 0 1 299.418 3.568 20 0 CHADMN Fc1ccc(CN[C@@H]2COCc3ccccc32)cc1Cl ZINC000225998020 264261819 /nfs/dbraw/zinc/26/18/19/264261819.db2.gz PMSCNWCHGUNWHA-MRXNPFEDSA-N 0 1 291.753 3.840 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C(C)C)C3CC3)n[nH]2)c(C)c1 ZINC000189098363 264268139 /nfs/dbraw/zinc/26/81/39/264268139.db2.gz KWVHRVQWHSRPCS-UHFFFAOYSA-N 0 1 297.402 3.707 20 0 CHADMN CCN(Cc1ccccc1)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000343265215 264268807 /nfs/dbraw/zinc/26/88/07/264268807.db2.gz CRBGLRIQSZBXPM-INIZCTEOSA-N 0 1 290.451 3.542 20 0 CHADMN CCc1ccccc1C[N@@H+](CC)Cc1ccccn1 ZINC000189107912 264272220 /nfs/dbraw/zinc/27/22/20/264272220.db2.gz CBJFZZDCLUXYQG-UHFFFAOYSA-N 0 1 254.377 3.666 20 0 CHADMN CC[C@@H](C)[C@@H](C)NCc1noc(-c2ccc(F)cc2F)n1 ZINC000189165187 264281597 /nfs/dbraw/zinc/28/15/97/264281597.db2.gz CHPZPYRROTWEFY-NXEZZACHSA-N 0 1 295.333 3.539 20 0 CHADMN Cc1cc(N(C)Cc2nccs2)c2cc(F)ccc2n1 ZINC000128175640 264282357 /nfs/dbraw/zinc/28/23/57/264282357.db2.gz RONJOVQAOFEYKA-UHFFFAOYSA-N 0 1 287.363 3.775 20 0 CHADMN COc1ccccc1/C=C/CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000475285298 264294859 /nfs/dbraw/zinc/29/48/59/264294859.db2.gz GKYDOLNSIBQZLC-FROLJDDGSA-N 0 1 299.336 3.981 20 0 CHADMN CC[C@@]1(C)CC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425418581 264296320 /nfs/dbraw/zinc/29/63/20/264296320.db2.gz JBAUNGKNLCBNJQ-SFHVURJKSA-N 0 1 281.403 3.766 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(C)CC3CCC3)n[nH]2)c(C)c1 ZINC000189417005 264297139 /nfs/dbraw/zinc/29/71/39/264297139.db2.gz IGOBCGNJVPUJJQ-UHFFFAOYSA-N 0 1 297.402 3.566 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1cccc(C)c1C ZINC000189573528 264305961 /nfs/dbraw/zinc/30/59/61/264305961.db2.gz YTBJAJIKQSXHDR-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN CCc1ccc(CN[C@H](C)c2ccncc2OC)cc1 ZINC000189573251 264306120 /nfs/dbraw/zinc/30/61/20/264306120.db2.gz HADUPANAEKSGSF-CYBMUJFWSA-N 0 1 270.376 3.503 20 0 CHADMN CC(C)COC[C@H](NC1CC(OC(C)C)C1)c1ccco1 ZINC000189528510 264306896 /nfs/dbraw/zinc/30/68/96/264306896.db2.gz CFTMSLLBQBMNAP-GPANFISMSA-N 0 1 295.423 3.539 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1nc(C(C)(C)C)cs1)C1CC1 ZINC000425431308 264321684 /nfs/dbraw/zinc/32/16/84/264321684.db2.gz HWAUDODLNKQNPK-JQWIXIFHSA-N 0 1 282.453 3.516 20 0 CHADMN CO[C@H](CN[C@@H](C)c1nc(C(C)(C)C)cs1)C1CC1 ZINC000425431306 264321590 /nfs/dbraw/zinc/32/15/90/264321590.db2.gz HWAUDODLNKQNPK-CMPLNLGQSA-N 0 1 282.453 3.516 20 0 CHADMN CCN(Cc1ccccn1)c1ccnc2ccccc21 ZINC000189693909 264321749 /nfs/dbraw/zinc/32/17/49/264321749.db2.gz YSQLCNZYKYAJNL-UHFFFAOYSA-N 0 1 263.344 3.656 20 0 CHADMN CO[C@@H](CN[C@H](C)c1nc(C(C)(C)C)cs1)C1CC1 ZINC000425431310 264321915 /nfs/dbraw/zinc/32/19/15/264321915.db2.gz HWAUDODLNKQNPK-PWSUYJOCSA-N 0 1 282.453 3.516 20 0 CHADMN Cc1ccccc1Cc1nnc(CN[C@H]2CCCC[C@H]2C)o1 ZINC000162445194 264322740 /nfs/dbraw/zinc/32/27/40/264322740.db2.gz SWCSADZEZUZZEG-ZBFHGGJFSA-N 0 1 299.418 3.637 20 0 CHADMN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCc1nc(C(F)F)no1 ZINC000425458699 264330509 /nfs/dbraw/zinc/33/05/09/264330509.db2.gz NABPSJZBHALMQU-OUAUKWLOSA-N 0 1 287.354 3.558 20 0 CHADMN CC1(CC(=O)Nc2cccc(-c3nnc[nH]3)c2)CCCCC1 ZINC000132631149 264398339 /nfs/dbraw/zinc/39/83/39/264398339.db2.gz SFIVYZKJPUFMKE-UHFFFAOYSA-N 0 1 298.390 3.771 20 0 CHADMN COCc1ccc(CNC(C)(C)c2cccs2)o1 ZINC000344312630 265057610 /nfs/dbraw/zinc/05/76/10/265057610.db2.gz SALDPOZVPSISTR-UHFFFAOYSA-N 0 1 265.378 3.512 20 0 CHADMN CCS[C@H](C(=O)Nc1nc2ccc(C)cc2[nH]1)C(C)C ZINC000344482491 265060910 /nfs/dbraw/zinc/06/09/10/265060910.db2.gz KAGONCITBNMRGW-ZDUSSCGKSA-N 0 1 291.420 3.588 20 0 CHADMN FC1(F)CCC[C@H](NCc2csc(C3CC3)n2)C1 ZINC000344793237 265066884 /nfs/dbraw/zinc/06/68/84/265066884.db2.gz KXUDCLKFKMHGFH-JTQLQIEISA-N 0 1 272.364 3.688 20 0 CHADMN CCN(Cc1cncs1)Cc1c[nH]c2ccccc12 ZINC000191188461 265167006 /nfs/dbraw/zinc/16/70/06/265167006.db2.gz SQTVYDWMJBTBMP-UHFFFAOYSA-N 0 1 271.389 3.647 20 0 CHADMN Cc1cc(C)c(CSc2nc(C3CC3)n[nH]2)c(C)c1 ZINC000518911737 265211547 /nfs/dbraw/zinc/21/15/47/265211547.db2.gz VLCAGCFKYBKHJR-UHFFFAOYSA-N 0 1 273.405 3.900 20 0 CHADMN Cc1cc(C)c(CSc2n[nH]c(C3CC3)n2)c(C)c1 ZINC000518911737 265211552 /nfs/dbraw/zinc/21/15/52/265211552.db2.gz VLCAGCFKYBKHJR-UHFFFAOYSA-N 0 1 273.405 3.900 20 0 CHADMN Cc1csc(CN2CCC[C@@H](Cc3ccccc3)C2)n1 ZINC000353384371 266038292 /nfs/dbraw/zinc/03/82/92/266038292.db2.gz DUGZSMGKZRUAMG-INIZCTEOSA-N 0 1 286.444 3.906 20 0 CHADMN Cc1cnc([C@@H](C)NCCc2c(F)cccc2Cl)o1 ZINC000356300814 266091905 /nfs/dbraw/zinc/09/19/05/266091905.db2.gz FXCXKIYJZDRKCK-SNVBAGLBSA-N 0 1 282.746 3.669 20 0 CHADMN Cc1ccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1F ZINC000356517092 266128609 /nfs/dbraw/zinc/12/86/09/266128609.db2.gz BYUKGCGDAJFCBY-DLBZAZTESA-N 0 1 289.394 3.668 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cnccc2C)cc1F ZINC000356667794 266156918 /nfs/dbraw/zinc/15/69/18/266156918.db2.gz BGBTZGXPNJKVRH-OLZOCXBDSA-N 0 1 288.366 3.950 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@@H](CC)c1ccncc1 ZINC000356891720 266207141 /nfs/dbraw/zinc/20/71/41/266207141.db2.gz HEAOZTHWKJFBJV-BBRMVZONSA-N 0 1 269.392 3.841 20 0 CHADMN CCc1cccnc1[C@H](C)N[C@@H]1CCCc2occc21 ZINC000356908448 266209524 /nfs/dbraw/zinc/20/95/24/266209524.db2.gz XRXRIRUTUYGMSD-SWLSCSKDSA-N 0 1 270.376 3.965 20 0 CHADMN Cc1cc(C)c(-c2nc(-c3cc4nc[nH]c4c(C)c3)no2)o1 ZINC000356921034 266211060 /nfs/dbraw/zinc/21/10/60/266211060.db2.gz LQCPFKJUBIPZGB-UHFFFAOYSA-N 0 1 294.314 3.798 20 0 CHADMN CCOc1ccc(C2=CCN(Cc3ccco3)CC2)cc1 ZINC000356976655 266223094 /nfs/dbraw/zinc/22/30/94/266223094.db2.gz IXQNVGSMGNVADC-UHFFFAOYSA-N 0 1 283.371 3.968 20 0 CHADMN c1nc(CN2CCCC23CCCCC3)nn1-c1ccccc1 ZINC000357006651 266230579 /nfs/dbraw/zinc/23/05/79/266230579.db2.gz NUBUYGFLSWROGL-UHFFFAOYSA-N 0 1 296.418 3.566 20 0 CHADMN Cc1nc(CN2CC[C@@H](C)C3(CCC3)C2)c(C)s1 ZINC000357012098 266232352 /nfs/dbraw/zinc/23/23/52/266232352.db2.gz PTFLVICTMWODNP-LLVKDONJSA-N 0 1 264.438 3.772 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC[C@@H](CC(C)C)C2)o1 ZINC000357009423 266232461 /nfs/dbraw/zinc/23/24/61/266232461.db2.gz VTGRSKAWQWDEII-KGLIPLIRSA-N 0 1 250.386 3.802 20 0 CHADMN C[C@H](C1CCC1)N(C)Cc1csc(-c2ccccn2)n1 ZINC000357021390 266233904 /nfs/dbraw/zinc/23/39/04/266233904.db2.gz HHHCPIZVLBLGMQ-GFCCVEGCSA-N 0 1 287.432 3.826 20 0 CHADMN Cc1nc2ccc(NC(=O)[C@H]3CCC[C@H](C)C3)cc2[nH]1 ZINC000357024469 266234704 /nfs/dbraw/zinc/23/47/04/266234704.db2.gz DUMPORWUVYKXLW-JQWIXIFHSA-N 0 1 271.364 3.636 20 0 CHADMN Cc1cccc2nc(CN3CC[C@H](C)C4(CCC4)C3)cn21 ZINC000357025082 266234833 /nfs/dbraw/zinc/23/48/33/266234833.db2.gz OWATYKJAHTWOGY-AWEZNQCLSA-N 0 1 283.419 3.655 20 0 CHADMN CC(C)(CCCO)CNc1ccnc2cc(F)ccc21 ZINC000357202086 266265073 /nfs/dbraw/zinc/26/50/73/266265073.db2.gz JVEBPSKPDPZDNE-UHFFFAOYSA-N 0 1 276.355 3.585 20 0 CHADMN Cc1nccc(N[C@H]2CCc3ccccc32)c1Cl ZINC000357325696 266275041 /nfs/dbraw/zinc/27/50/41/266275041.db2.gz VJIIEJYVMXPHBO-ZDUSSCGKSA-N 0 1 258.752 3.565 20 0 CHADMN C[C@]1(NCc2csc(-c3ccsc3)n2)CCCOC1 ZINC000357345769 266280796 /nfs/dbraw/zinc/28/07/96/266280796.db2.gz OOAVBUCZNJDGQL-AWEZNQCLSA-N 0 1 294.445 3.530 20 0 CHADMN CCCc1nc(CN2CCC[C@@H](C)[C@@H]2C)cs1 ZINC000357717320 266350819 /nfs/dbraw/zinc/35/08/19/266350819.db2.gz QFDOBMGLAFZZGY-NEPJUHHUSA-N 0 1 252.427 3.716 20 0 CHADMN CC[C@H]1CC[C@H](C)N1Cc1nc(-c2cccs2)no1 ZINC000357557779 266325273 /nfs/dbraw/zinc/32/52/73/266325273.db2.gz ZTOCAOGSHRKQQS-QWRGUYRKSA-N 0 1 277.393 3.561 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H](C)CC(C)(C)C ZINC000357587853 266331700 /nfs/dbraw/zinc/33/17/00/266331700.db2.gz WYXYZHLOUNPRHN-ZETCQYMHSA-N 0 1 273.327 3.667 20 0 CHADMN Cc1ccc(-c2cc(-c3nc([C@@H](C)C4CC4)no3)[nH]n2)cc1 ZINC000357604407 266333843 /nfs/dbraw/zinc/33/38/43/266333843.db2.gz SJZXIFIIUVWJNL-NSHDSACASA-N 0 1 294.358 3.949 20 0 CHADMN Cc1ccc(-c2nnc(CN3CCC[C@H](C)[C@@H]3C)o2)cc1 ZINC000357737600 266352572 /nfs/dbraw/zinc/35/25/72/266352572.db2.gz XMDLQKSHBRJKDO-KBPBESRZSA-N 0 1 285.391 3.665 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](C)c1cnccc1C ZINC000357776220 266358040 /nfs/dbraw/zinc/35/80/40/266358040.db2.gz AFVGPVZFFPBORO-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CC1(C)CCCN(Cc2noc(-c3ccccc3)n2)CC1 ZINC000357784580 266361541 /nfs/dbraw/zinc/36/15/41/266361541.db2.gz QORVKGLSAPVMGC-UHFFFAOYSA-N 0 1 285.391 3.749 20 0 CHADMN CSc1cc(CN[C@H](C)c2ccsc2)ccn1 ZINC000357842784 266375629 /nfs/dbraw/zinc/37/56/29/266375629.db2.gz VYXWDSBBQXMPNH-SNVBAGLBSA-N 0 1 264.419 3.716 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](C)c2ccc(F)c(Cl)c2)n[nH]1 ZINC000358235501 266442846 /nfs/dbraw/zinc/44/28/46/266442846.db2.gz IOURILSGQSWBIX-RKDXNWHRSA-N 0 1 296.777 3.571 20 0 CHADMN Oc1cccc2c1CCC[C@@H]2NCc1cc(F)cc(F)c1 ZINC000361105493 266784563 /nfs/dbraw/zinc/78/45/63/266784563.db2.gz GVMYVFVQBWXZKS-INIZCTEOSA-N 0 1 289.325 3.838 20 0 CHADMN COc1ccc(F)cc1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC000361147610 266792425 /nfs/dbraw/zinc/79/24/25/266792425.db2.gz UHYPCEJCXAMZEZ-INIZCTEOSA-N 0 1 275.367 3.599 20 0 CHADMN C[C@H]1CCC[C@H](N(C)Cc2nccn2-c2ccccc2)C1 ZINC000361509346 266835735 /nfs/dbraw/zinc/83/57/35/266835735.db2.gz UNXIPCKKUVYBHR-RDJZCZTQSA-N 0 1 283.419 3.883 20 0 CHADMN CCC1(CC)CN([C@H](C)c2ncc(C)o2)CCS1 ZINC000362246497 266950995 /nfs/dbraw/zinc/95/09/95/266950995.db2.gz RCBVVNPEAFICRM-GFCCVEGCSA-N 0 1 268.426 3.652 20 0 CHADMN CC(C)(C)OCc1cc(CN[C@@H]2CCC(C)(C)C2)no1 ZINC000362523020 267000122 /nfs/dbraw/zinc/00/01/22/267000122.db2.gz CXXCAWFTWRBZNU-GFCCVEGCSA-N 0 1 280.412 3.658 20 0 CHADMN Cc1ccc(CCC(=O)Nc2ccc3nc[nH]c3c2)s1 ZINC000362732939 267040425 /nfs/dbraw/zinc/04/04/25/267040425.db2.gz IMEZNGCWRFOUEA-UHFFFAOYSA-N 0 1 285.372 3.504 20 0 CHADMN c1c2ccccc2oc1CSc1nc(C2CC2)n[nH]1 ZINC000362890993 267057713 /nfs/dbraw/zinc/05/77/13/267057713.db2.gz HUGYYJYCWXZPBU-UHFFFAOYSA-N 0 1 271.345 3.721 20 0 CHADMN c1c2ccccc2oc1CSc1n[nH]c(C2CC2)n1 ZINC000362890993 267057715 /nfs/dbraw/zinc/05/77/15/267057715.db2.gz HUGYYJYCWXZPBU-UHFFFAOYSA-N 0 1 271.345 3.721 20 0 CHADMN Fc1ccc2cc(CNCc3ccc(Cl)cn3)[nH]c2c1 ZINC000362921829 267061053 /nfs/dbraw/zinc/06/10/53/267061053.db2.gz JVNWLNHPFHYNEX-UHFFFAOYSA-N 0 1 289.741 3.645 20 0 CHADMN C[C@H](NCc1cc2ccc(F)cc2[nH]1)c1cncc(F)c1 ZINC000362929454 267062823 /nfs/dbraw/zinc/06/28/23/267062823.db2.gz DXHGISMFWVEPNI-JTQLQIEISA-N 0 1 287.313 3.692 20 0 CHADMN Cc1cnc(CN2CCC[C@@H]2CCC2CCCC2)o1 ZINC000362961554 267067338 /nfs/dbraw/zinc/06/73/38/267067338.db2.gz XLKQADGPFODYEX-OAHLLOKOSA-N 0 1 262.397 3.918 20 0 CHADMN CC(C)CC[C@@H]1CCCN1Cc1nc(CC(C)C)no1 ZINC000362957112 267067508 /nfs/dbraw/zinc/06/75/08/267067508.db2.gz HBLAARGIEWXGCQ-AWEZNQCLSA-N 0 1 279.428 3.669 20 0 CHADMN COc1ncccc1CN(C)[C@@H](C)c1ccccc1C ZINC000362962154 267067458 /nfs/dbraw/zinc/06/74/58/267067458.db2.gz AHPXKCNLDADBFB-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN CCc1nnc(CN2CCC[C@H]2CCC2CCCC2)o1 ZINC000362962312 267067773 /nfs/dbraw/zinc/06/77/73/267067773.db2.gz CKUJENZJMFYRHQ-AWEZNQCLSA-N 0 1 277.412 3.567 20 0 CHADMN Cc1csc(CNCCCOc2cccc(C)c2C)n1 ZINC000362965849 267068185 /nfs/dbraw/zinc/06/81/85/267068185.db2.gz FZEFPETYMWSDBE-UHFFFAOYSA-N 0 1 290.432 3.627 20 0 CHADMN Cc1c2cc(F)ccc2oc1CN[C@@H]1CCCc2n[nH]cc21 ZINC000367727741 267113912 /nfs/dbraw/zinc/11/39/12/267113912.db2.gz QHWOTDBHFYJXBW-CQSZACIVSA-N 0 1 299.349 3.771 20 0 CHADMN C(N[C@H]1CCCCC12CCCC2)c1nc(C2CC2)no1 ZINC000368260124 267156706 /nfs/dbraw/zinc/15/67/06/267156706.db2.gz MEDWMRWHXPWCLF-ZDUSSCGKSA-N 0 1 275.396 3.540 20 0 CHADMN c1nc([C@@H]2CCCO2)sc1CN1CCC(C2CC2)CC1 ZINC000368639696 267193833 /nfs/dbraw/zinc/19/38/33/267193833.db2.gz WZBPZKFGVIIVSF-HNNXBMFYSA-N 0 1 292.448 3.617 20 0 CHADMN CC[C@@H](c1ccccc1)N(C)Cc1cn2c(n1)CCCC2 ZINC000369366861 267237713 /nfs/dbraw/zinc/23/77/13/267237713.db2.gz SRUMRXQKCBDHEV-KRWDZBQOSA-N 0 1 283.419 3.803 20 0 CHADMN CC(C)C[C@H]1CCCN([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000119245474 267312648 /nfs/dbraw/zinc/31/26/48/267312648.db2.gz AIADAXKHTWNZFJ-QWHCGFSZSA-N 0 1 277.412 3.766 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1)C1CC1 ZINC000370597923 267330111 /nfs/dbraw/zinc/33/01/11/267330111.db2.gz HEUPXSFZEQSCHF-ZJUUUORDSA-N 0 1 291.782 3.839 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1ccc(OC)c(O)c1 ZINC000120013646 267352031 /nfs/dbraw/zinc/35/20/31/267352031.db2.gz GVEXRVWUSAMONQ-UHFFFAOYSA-N 0 1 289.350 3.562 20 0 CHADMN COCCCCN(C)Cc1csc(-c2cccs2)n1 ZINC000418140238 267362042 /nfs/dbraw/zinc/36/20/42/267362042.db2.gz VLWOBESYYBKCIW-UHFFFAOYSA-N 0 1 296.461 3.730 20 0 CHADMN COCCCCN(C)Cc1ncc(-c2ccccc2)s1 ZINC000418149465 267375162 /nfs/dbraw/zinc/37/51/62/267375162.db2.gz VAYBKTZYEXLLRR-UHFFFAOYSA-N 0 1 290.432 3.669 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000123107478 268000212 /nfs/dbraw/zinc/00/02/12/268000212.db2.gz KDUQLDJNDICKSY-PHIMTYICSA-N 0 1 291.782 3.763 20 0 CHADMN Cc1ccc(-c2noc(CN3[C@@H](C)CC[C@@H]3C)n2)cc1F ZINC000123135280 268002318 /nfs/dbraw/zinc/00/23/18/268002318.db2.gz UEWUTILQUJUNMN-RYUDHWBXSA-N 0 1 289.354 3.557 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1cc(-c2cccs2)on1 ZINC000123353631 268038485 /nfs/dbraw/zinc/03/84/85/268038485.db2.gz NXHVSBOHCRFKSO-GHMZBOCLSA-N 0 1 262.378 3.776 20 0 CHADMN Fc1cccc(-c2cnc(CN3CCC4(CCC4)C3)o2)c1 ZINC000123446708 268053678 /nfs/dbraw/zinc/05/36/78/268053678.db2.gz QYVMATREZZGHCJ-UHFFFAOYSA-N 0 1 286.350 3.857 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cc2cscn2)CC1 ZINC000172050328 335092383 /nfs/dbraw/zinc/09/23/83/335092383.db2.gz NGLSMEZMBYAAKE-LBPRGKRZSA-N 0 1 252.427 3.791 20 0 CHADMN C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000042355622 328766917 /nfs/dbraw/zinc/76/69/17/328766917.db2.gz AZYOARYRQVEIMI-ZYHUDNBSSA-N 0 1 281.783 3.696 20 0 CHADMN Cc1ccccc1[C@@H](N[C@H](C)c1cnccn1)C(C)C ZINC000163077864 327706181 /nfs/dbraw/zinc/70/61/81/327706181.db2.gz IBFYQFJOYKRPDS-PBHICJAKSA-N 0 1 269.392 3.833 20 0 CHADMN Cc1nc(C2(NC[C@H]3CCCC[C@@H]3C)CCCC2)no1 ZINC000183668071 327763950 /nfs/dbraw/zinc/76/39/50/327763950.db2.gz CUZKRDFDTNACPG-GXTWGEPZSA-N 0 1 277.412 3.563 20 0 CHADMN Cc1oncc1CNC1(c2cccc(C)c2)CCCC1 ZINC000189180397 327768057 /nfs/dbraw/zinc/76/80/57/327768057.db2.gz DHIMAZYGTVRTMU-UHFFFAOYSA-N 0 1 270.376 3.851 20 0 CHADMN Cc1nsc(C)c1CN1CCC(OC2CCCC2)CC1 ZINC000582130048 327787784 /nfs/dbraw/zinc/78/77/84/327787784.db2.gz OEYVEZLTHHXUIH-UHFFFAOYSA-N 0 1 294.464 3.684 20 0 CHADMN C[C@@H](N[C@@H](C)c1nc(C2CC2)no1)[C@@H](C)c1ccccc1 ZINC000177474520 327789855 /nfs/dbraw/zinc/78/98/55/327789855.db2.gz TZNVSAQGJOANOL-UPJWGTAASA-N 0 1 285.391 3.790 20 0 CHADMN CCCC[C@@H](CC)CN1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000183629848 327820856 /nfs/dbraw/zinc/82/08/56/327820856.db2.gz FLVLWZVGYUTACX-UONOGXRCSA-N 0 1 294.405 3.771 20 0 CHADMN Cc1cc(CNC2(CF)CCC2)sc1Br ZINC000521435305 327920199 /nfs/dbraw/zinc/92/01/99/327920199.db2.gz ZXFPVFZFVNAZFG-UHFFFAOYSA-N 0 1 292.217 3.801 20 0 CHADMN CCc1nocc1CN[C@H](C)c1ccc(F)c(C)c1 ZINC000339291423 328004447 /nfs/dbraw/zinc/00/44/47/328004447.db2.gz BKXZYYSYDSLFKF-LLVKDONJSA-N 0 1 262.328 3.535 20 0 CHADMN CCOc1ccccc1C1=CCN(Cc2cccnc2)CC1 ZINC000339291107 328004457 /nfs/dbraw/zinc/00/44/57/328004457.db2.gz RQMGMBOXJOZXMD-UHFFFAOYSA-N 0 1 294.398 3.770 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C[C@H]1C ZINC000563279893 328007294 /nfs/dbraw/zinc/00/72/94/328007294.db2.gz HTFOKUDJMKCFPA-WDEREUQCSA-N 0 1 281.783 3.516 20 0 CHADMN CC[C@@H](C(=O)N(C)c1ccc(-c2ccccc2)cc1)N(C)C ZINC000531702827 328026223 /nfs/dbraw/zinc/02/62/23/328026223.db2.gz YHQBVBHAJCMVML-SFHVURJKSA-N 0 1 296.414 3.657 20 0 CHADMN Fc1ccc(Br)cc1CN1C[C@@H]2CCC[C@H]2C1 ZINC000531802145 328037163 /nfs/dbraw/zinc/03/71/63/328037163.db2.gz SRVSJCICAMAOJJ-QWRGUYRKSA-N 0 1 298.199 3.820 20 0 CHADMN C[C@H](Sc1c[nH]nn1)c1ccc(C(C)(C)C)cc1 ZINC000531813552 328038158 /nfs/dbraw/zinc/03/81/58/328038158.db2.gz SECSVJWUWWPTDH-JTQLQIEISA-N 0 1 261.394 3.956 20 0 CHADMN C[N@@H+](Cc1ccc(CO)o1)Cc1ccc2ccccc2c1 ZINC000534333116 328045258 /nfs/dbraw/zinc/04/52/58/328045258.db2.gz NYNIXGATAIERER-UHFFFAOYSA-N 0 1 281.355 3.557 20 0 CHADMN CN(Cc1ccc(CO)o1)Cc1ccc2ccccc2c1 ZINC000534333116 328045260 /nfs/dbraw/zinc/04/52/60/328045260.db2.gz NYNIXGATAIERER-UHFFFAOYSA-N 0 1 281.355 3.557 20 0 CHADMN C[C@@H](NCC1(c2ccc(F)cc2)CC1)c1cscn1 ZINC000534328718 328045867 /nfs/dbraw/zinc/04/58/67/328045867.db2.gz KREDOWNIRKSPLN-LLVKDONJSA-N 0 1 276.380 3.665 20 0 CHADMN C[C@H](CN[C@@H](C)c1cscn1)c1ccc(F)cc1F ZINC000534328867 328046123 /nfs/dbraw/zinc/04/61/23/328046123.db2.gz NICZPBMXGXDLTE-ZJUUUORDSA-N 0 1 282.359 3.876 20 0 CHADMN Cc1nnc([C@@H](C)N(C)CC23CC4CC(CC(C4)C2)C3)o1 ZINC000048275716 328049799 /nfs/dbraw/zinc/04/97/99/328049799.db2.gz PCROHYCYWQIUIK-AVULXXCZSA-N 0 1 289.423 3.587 20 0 CHADMN Cc1cc([C@H](C)N[C@H](C)c2cncnc2C)c(C)s1 ZINC000563418556 328063549 /nfs/dbraw/zinc/06/35/49/328063549.db2.gz PFOSWFWZMVAYNN-NWDGAFQWSA-N 0 1 275.421 3.875 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2cncnc2C)c(C)s1 ZINC000563418558 328063610 /nfs/dbraw/zinc/06/36/10/328063610.db2.gz PFOSWFWZMVAYNN-VXGBXAGGSA-N 0 1 275.421 3.875 20 0 CHADMN C[C@H]1C[C@H](NCc2noc(-c3cccs3)n2)C[C@@H](C)C1 ZINC000563506183 328070583 /nfs/dbraw/zinc/07/05/83/328070583.db2.gz DGWBSVVFGDYCNY-GDNZZTSVSA-N 0 1 291.420 3.712 20 0 CHADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])c(C)o1 ZINC000563542052 328072603 /nfs/dbraw/zinc/07/26/03/328072603.db2.gz UZSPTFSSNCREDV-XHDPSFHLSA-N 0 1 279.380 3.687 20 0 CHADMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])c(C)o1 ZINC000563542049 328072632 /nfs/dbraw/zinc/07/26/32/328072632.db2.gz UZSPTFSSNCREDV-ABAIWWIYSA-N 0 1 279.380 3.687 20 0 CHADMN CC(=O)c1cc(CN2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)on1 ZINC000565171301 328075008 /nfs/dbraw/zinc/07/50/08/328075008.db2.gz LFBJJIHPDQWNCM-XNJGSVPQSA-N 0 1 298.386 3.644 20 0 CHADMN F[C@@H]1CCC[C@@H]1NCc1cnc(-c2ccccc2)s1 ZINC000571183164 328091141 /nfs/dbraw/zinc/09/11/41/328091141.db2.gz UWGIXBIWAZIPMC-KGLIPLIRSA-N 0 1 276.380 3.790 20 0 CHADMN Cc1ccc2oc(CNCc3ccnn3C(C)C)cc2c1 ZINC000571344016 328113521 /nfs/dbraw/zinc/11/35/21/328113521.db2.gz BCSIQROHFBNZBN-UHFFFAOYSA-N 0 1 283.375 3.808 20 0 CHADMN Cc1cnn(C)c1CN(C)[C@@H](C)c1cc(C)ccc1C ZINC000571445504 328121778 /nfs/dbraw/zinc/12/17/78/328121778.db2.gz BRJAJUYJHYOLDP-HNNXBMFYSA-N 0 1 271.408 3.538 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccc1)c1cn2ccccc2n1 ZINC000571543657 328132806 /nfs/dbraw/zinc/13/28/06/328132806.db2.gz SEMDGNIHMJIXMD-UONOGXRCSA-N 0 1 265.360 3.746 20 0 CHADMN CCn1cc([C@H](C)N[C@@H](C)c2ccc(C)cc2OC)cn1 ZINC000571614350 328137768 /nfs/dbraw/zinc/13/77/68/328137768.db2.gz OGDRBPMYJLWNGZ-KBPBESRZSA-N 0 1 287.407 3.632 20 0 CHADMN C[C@@H]1C[C@H](CNc2ccnc3cc(F)ccc32)[C@@H](C)O1 ZINC000413529952 328148658 /nfs/dbraw/zinc/14/86/58/328148658.db2.gz JFZNRSRCGVWEIA-IJLUTSLNSA-N 0 1 274.339 3.599 20 0 CHADMN CCCN(Cc1ccc(F)cc1)Cc1cnc(CC)nc1 ZINC000414368598 328156227 /nfs/dbraw/zinc/15/62/27/328156227.db2.gz HGWIZVBNQUUUFV-UHFFFAOYSA-N 0 1 287.382 3.590 20 0 CHADMN Cn1ccnc1CNC1(c2ccc(Cl)cc2)CCCC1 ZINC000264010080 328156759 /nfs/dbraw/zinc/15/67/59/328156759.db2.gz BGNOQFYBYSUYON-UHFFFAOYSA-N 0 1 289.810 3.633 20 0 CHADMN CCOc1cc(C)ccc1CNCc1ccoc1C ZINC000414382688 328158869 /nfs/dbraw/zinc/15/88/69/328158869.db2.gz ROAGZTAEEGWODG-UHFFFAOYSA-N 0 1 259.349 3.585 20 0 CHADMN CCc1ncc(CN[C@@H](CC)c2ccc(Cl)s2)cn1 ZINC000414393540 328162282 /nfs/dbraw/zinc/16/22/82/328162282.db2.gz OBTNWCZVRDOSTH-NSHDSACASA-N 0 1 295.839 3.995 20 0 CHADMN CCc1ncc(CN2CCCCC[C@@H]2c2ccco2)cn1 ZINC000414395153 328162530 /nfs/dbraw/zinc/16/25/30/328162530.db2.gz MDRHLYGUYCNLHJ-OAHLLOKOSA-N 0 1 285.391 3.749 20 0 CHADMN CCc1ncc(CNCc2cnccc2C(C)(C)C)s1 ZINC000414492485 328187324 /nfs/dbraw/zinc/18/73/24/328187324.db2.gz AOMSIJWDHAGEHU-UHFFFAOYSA-N 0 1 289.448 3.688 20 0 CHADMN C[C@@H]1C[C@@H](NCc2csc(-c3cccs3)n2)CS1 ZINC000414499527 328189850 /nfs/dbraw/zinc/18/98/50/328189850.db2.gz KHEGLFZCBCCSGB-NXEZZACHSA-N 0 1 296.486 3.855 20 0 CHADMN Cc1nnsc1CN(C)[C@H](c1ccccc1C)C(C)C ZINC000571646433 328190797 /nfs/dbraw/zinc/19/07/97/328190797.db2.gz PXMHYBUSERJITJ-INIZCTEOSA-N 0 1 289.448 3.984 20 0 CHADMN c1cncc(-c2cccc(CN3CCO[C@@H]4CCC[C@H]43)c2)c1 ZINC000271133458 328195119 /nfs/dbraw/zinc/19/51/19/328195119.db2.gz RFUNHXOFAKUKNT-RTBURBONSA-N 0 1 294.398 3.502 20 0 CHADMN C[C@@H](NCCCO[C@@H](C)c1ccccc1)c1cscn1 ZINC000271136671 328195141 /nfs/dbraw/zinc/19/51/41/328195141.db2.gz NGSAAOJKHFAPQW-KGLIPLIRSA-N 0 1 290.432 3.962 20 0 CHADMN CCC1(NCc2ncc(C(F)(F)F)s2)CCC1 ZINC000278695007 328229681 /nfs/dbraw/zinc/22/96/81/328229681.db2.gz QIYGGKYLADGPRE-UHFFFAOYSA-N 0 1 264.316 3.584 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000181545138 329234409 /nfs/dbraw/zinc/23/44/09/329234409.db2.gz CWFMSAKCAQEFMY-CQSZACIVSA-N 0 1 281.783 3.732 20 0 CHADMN COc1cc(C)ccc1CNCc1cc(C)c(O)c(C)c1 ZINC000290444232 328259193 /nfs/dbraw/zinc/25/91/93/328259193.db2.gz SKCBIOLDJANFER-UHFFFAOYSA-N 0 1 285.387 3.616 20 0 CHADMN COC1(CNCc2c(Cl)cccc2Cl)CCC1 ZINC000227325344 329271910 /nfs/dbraw/zinc/27/19/10/329271910.db2.gz SUDBRKIQOJIYLS-UHFFFAOYSA-N 0 1 274.191 3.652 20 0 CHADMN CC(C)c1nc(CNCc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000294848210 328283202 /nfs/dbraw/zinc/28/32/02/328283202.db2.gz RWHIVIXRMSYPKU-UHFFFAOYSA-N 0 1 299.205 3.525 20 0 CHADMN C[C@@H](NCc1ccc(OC2CCCCC2)cc1)c1cn[nH]c1 ZINC000297936500 328295108 /nfs/dbraw/zinc/29/51/08/328295108.db2.gz XXTBQGIAFBKQFW-CQSZACIVSA-N 0 1 299.418 3.972 20 0 CHADMN CC[C@H](N[C@H](C)c1nccnc1C)c1ccc(OC)cc1 ZINC000187698717 328300768 /nfs/dbraw/zinc/30/07/68/328300768.db2.gz CDBXELIZZGFKBN-CJNGLKHVSA-N 0 1 285.391 3.596 20 0 CHADMN CCC[C@H](N[C@@H](C)c1nccnc1C)c1ccccc1 ZINC000187699020 328300771 /nfs/dbraw/zinc/30/07/71/328300771.db2.gz HEXUQELPLDZRKV-HOCLYGCPSA-N 0 1 269.392 3.977 20 0 CHADMN Cc1ccccc1CN[C@H]1c2ccc(F)cc2O[C@H]1C ZINC000582145012 328301542 /nfs/dbraw/zinc/30/15/42/328301542.db2.gz LVVFYVMKIKVAQT-YVEFUNNKSA-N 0 1 271.335 3.746 20 0 CHADMN CC[C@@H](C(=O)Nc1ccc2oc3ccccc3c2c1)N(C)C ZINC000531932397 328320980 /nfs/dbraw/zinc/32/09/80/328320980.db2.gz AJSKUSKNARLKBZ-HNNXBMFYSA-N 0 1 296.370 3.865 20 0 CHADMN Cc1ccc(-c2nc(CN(C)CC3CCC3)co2)cc1 ZINC000111299274 328345042 /nfs/dbraw/zinc/34/50/42/328345042.db2.gz SCFIQXCAQWPEQY-UHFFFAOYSA-N 0 1 270.376 3.882 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000049236423 328352326 /nfs/dbraw/zinc/35/23/26/328352326.db2.gz VFYPDVLOEZMSKK-RYUDHWBXSA-N 0 1 291.826 3.705 20 0 CHADMN CCC(CC)[C@@H](C)C(=O)N1CCN(C)CC12CCCCC2 ZINC000534885200 328366938 /nfs/dbraw/zinc/36/69/38/328366938.db2.gz PZGKWEZUMPEGTQ-OAHLLOKOSA-N 0 1 294.483 3.536 20 0 CHADMN CCc1cc(CN[C@H]2c3cccc(F)c3CC[C@@H]2C)on1 ZINC000531976995 328367950 /nfs/dbraw/zinc/36/79/50/328367950.db2.gz CYWFCQGFGYKOCS-APPDUMDISA-N 0 1 288.366 3.789 20 0 CHADMN CCC[C@@H](NCc1cc(CC)no1)c1ccc(OC)cc1 ZINC000531976696 328368950 /nfs/dbraw/zinc/36/89/50/328368950.db2.gz PPISHIIQXQOCHP-QGZVFWFLSA-N 0 1 288.391 3.877 20 0 CHADMN CCCN(CC)Cc1ccccc1Br ZINC000049595454 328374122 /nfs/dbraw/zinc/37/41/22/328374122.db2.gz NYMQGHKPSKVFKE-UHFFFAOYSA-N 0 1 256.187 3.681 20 0 CHADMN CCN(Cc1csc(NC(C)=O)n1)[C@@H]1CCCC[C@@H]1C ZINC000120062742 328377412 /nfs/dbraw/zinc/37/74/12/328377412.db2.gz KTGURGXOPYBXMP-SMDDNHRTSA-N 0 1 295.452 3.502 20 0 CHADMN CCc1ccc(CN(C)Cc2ccccc2OC)s1 ZINC000535063277 328382276 /nfs/dbraw/zinc/38/22/76/328382276.db2.gz YVWGSJPBYLKFCY-UHFFFAOYSA-N 0 1 275.417 3.951 20 0 CHADMN c1nc2cc(C[N@H+](Cc3ccccc3)C3CC3)ccc2[nH]1 ZINC000535068889 328383559 /nfs/dbraw/zinc/38/35/59/328383559.db2.gz MOPCLMQBHVISQR-UHFFFAOYSA-N 0 1 277.371 3.728 20 0 CHADMN COC[C@@H](C)N(C)Cc1cnc(C2CCCCC2)s1 ZINC000535081040 328385207 /nfs/dbraw/zinc/38/52/07/328385207.db2.gz QCQLDRMARRBTTL-GFCCVEGCSA-N 0 1 282.453 3.658 20 0 CHADMN CCC[N@@H+](C)Cc1csc(-c2ccc(F)cc2)n1 ZINC000063761910 328388289 /nfs/dbraw/zinc/38/82/89/328388289.db2.gz NURDOHRLIGIERO-UHFFFAOYSA-N 0 1 264.369 3.791 20 0 CHADMN CCCN(C)Cc1csc(-c2ccc(F)cc2)n1 ZINC000063761910 328388290 /nfs/dbraw/zinc/38/82/90/328388290.db2.gz NURDOHRLIGIERO-UHFFFAOYSA-N 0 1 264.369 3.791 20 0 CHADMN Cc1cccc([C@@H](C)N[C@@H](c2nccn2C)C2CC2)c1 ZINC000353873260 328567561 /nfs/dbraw/zinc/56/75/61/328567561.db2.gz WRUIVOVRTFYSKX-CZUORRHYSA-N 0 1 269.392 3.530 20 0 CHADMN COc1cc([C@H](C)N[C@@H](C)c2cccc(F)c2)ccn1 ZINC000347659490 328575616 /nfs/dbraw/zinc/57/56/16/328575616.db2.gz AXGKSSKTTWAOLN-RYUDHWBXSA-N 0 1 274.339 3.641 20 0 CHADMN Cc1cc(Br)ccc1CN(C)CC1(F)CC1 ZINC000527237589 330240213 /nfs/dbraw/zinc/24/02/13/330240213.db2.gz PNPBIKSHYQSXIL-UHFFFAOYSA-N 0 1 286.188 3.691 20 0 CHADMN O=C(c1ccc(F)cc1O)N1CCC2(CCCCC2)CC1 ZINC000123637159 326873682 /nfs/dbraw/zinc/87/36/82/326873682.db2.gz XALAMDBKXFZXHV-UHFFFAOYSA-N 0 1 291.366 3.718 20 0 CHADMN Cc1cccc(CC[C@H](C)N[C@H](C)c2csnn2)c1 ZINC000398245272 326876284 /nfs/dbraw/zinc/87/62/84/326876284.db2.gz RSQYSHVZWADRAO-QWHCGFSZSA-N 0 1 275.421 3.518 20 0 CHADMN CCc1ccc(/C(C)=C\c2nc(C3(N)CCCC3)no2)cc1 ZINC000584052832 326910602 /nfs/dbraw/zinc/91/06/02/326910602.db2.gz IJWMYHXLBFLKBQ-SEYXRHQNSA-N 0 1 297.402 3.921 20 0 CHADMN CC(C)[C@@H](N[C@@H](C)c1cnccn1)c1ccc(F)cc1 ZINC000070478267 326916960 /nfs/dbraw/zinc/91/69/60/326916960.db2.gz APYFYUFAGLJCRR-BLLLJJGKSA-N 0 1 273.355 3.664 20 0 CHADMN Cc1nc2cc(N[C@@H]3CC[C@@H]3C(C)C)ccc2n1C ZINC000556890891 326979433 /nfs/dbraw/zinc/97/94/33/326979433.db2.gz ZHPLCVYZZSJTMR-ZIAGYGMSSA-N 0 1 257.381 3.728 20 0 CHADMN COc1ccc(CN[C@@H]2CCc3cc(C)ccc32)c(F)c1 ZINC000557277452 327000107 /nfs/dbraw/zinc/00/01/07/327000107.db2.gz QKUXRGZHLZHFOK-GOSISDBHSA-N 0 1 285.362 3.920 20 0 CHADMN C[C@H](N[C@@H]1CSC1(C)C)c1ccc(F)cc1F ZINC000338792056 327006428 /nfs/dbraw/zinc/00/64/28/327006428.db2.gz MJWYMNHNOURKNE-QPUJVOFHSA-N 0 1 257.349 3.509 20 0 CHADMN Cc1ccc2nc(NC(=O)Cc3ccccc3Cl)[nH]c2c1 ZINC000557808444 327028405 /nfs/dbraw/zinc/02/84/05/327028405.db2.gz RORRTUJDEFJONS-UHFFFAOYSA-N 0 1 299.761 3.706 20 0 CHADMN CCn1cncc1CN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000090171388 327031588 /nfs/dbraw/zinc/03/15/88/327031588.db2.gz DBTFLQUJDKAEHO-NSHDSACASA-N 0 1 297.324 3.773 20 0 CHADMN CC(C)[C@@H]1[N@@H+](Cc2ccc(CO)o2)CC12CCCCC2 ZINC000569084287 327033241 /nfs/dbraw/zinc/03/32/41/327033241.db2.gz ABXJLUOJMHTGQD-INIZCTEOSA-N 0 1 277.408 3.563 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2cncnc2C)ccc1F ZINC000576479009 327033425 /nfs/dbraw/zinc/03/34/25/327033425.db2.gz KEIKBGYHFAPVSN-YPMHNXCESA-N 0 1 273.355 3.644 20 0 CHADMN C[C@H]1CCCC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000584118827 327043031 /nfs/dbraw/zinc/04/30/31/327043031.db2.gz NEMITRULBOIOJO-NSHDSACASA-N 0 1 281.783 3.660 20 0 CHADMN C[C@@H]1C[C@@H]1[C@H](NCc1cnccn1)c1ccc(Cl)cc1 ZINC000584158488 327052633 /nfs/dbraw/zinc/05/26/33/327052633.db2.gz HUSNNQNZTJRBDW-XFBWCDHKSA-N 0 1 287.794 3.617 20 0 CHADMN FC1(CN2CCC(c3nc4c(s3)CCCC4)CC2)CC1 ZINC000584169000 327055584 /nfs/dbraw/zinc/05/55/84/327055584.db2.gz HUJWIEBRPGQFKN-UHFFFAOYSA-N 0 1 294.439 3.703 20 0 CHADMN CC[C@@H](C[N@@H+](CC)CCCCC(=O)[O-])c1ccccc1 ZINC000584237189 327072981 /nfs/dbraw/zinc/07/29/81/327072981.db2.gz OOFXVPMOWDBTLT-HNNXBMFYSA-N 0 1 277.408 3.757 20 0 CHADMN CC[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(F)cc1F ZINC000558259033 327082996 /nfs/dbraw/zinc/08/29/96/327082996.db2.gz UKKCDBQYQJYOQB-WCQGTBRESA-N 0 1 261.262 3.659 20 0 CHADMN CCC(CC)(NCc1cnccn1)c1ccc(Cl)cc1 ZINC000558332558 327087658 /nfs/dbraw/zinc/08/76/58/327087658.db2.gz FTKCPTPNFJGXCB-UHFFFAOYSA-N 0 1 289.810 3.935 20 0 CHADMN CC[C@@H]1CCC[C@@H](CN2CCOC[C@@H]2CC(F)F)C1 ZINC000558414512 327092619 /nfs/dbraw/zinc/09/26/19/327092619.db2.gz PGLPYYIXOVWGJU-MCIONIFRSA-N 0 1 275.383 3.559 20 0 CHADMN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1ccc(C)c(F)c1 ZINC000558422361 327092999 /nfs/dbraw/zinc/09/29/99/327092999.db2.gz BKUDRTPFUAPLGD-INIZCTEOSA-N 0 1 287.382 3.811 20 0 CHADMN CCOc1ccccc1CN[C@H](C)c1ccc(OC)cc1 ZINC000090339852 327094348 /nfs/dbraw/zinc/09/43/48/327094348.db2.gz JJYHGMICBRYTLR-CQSZACIVSA-N 0 1 285.387 3.945 20 0 CHADMN C[C@@H]1C[C@@H](C)N1Cc1cncc(OCc2ccccc2)c1 ZINC000558702358 327115316 /nfs/dbraw/zinc/11/53/16/327115316.db2.gz BBAZGENNAVTBBY-HUUCEWRRSA-N 0 1 282.387 3.643 20 0 CHADMN C[N@@H+](CC[C@H](C(=O)[O-])c1ccccc1)CC1CCCCC1 ZINC000569347473 327119147 /nfs/dbraw/zinc/11/91/47/327119147.db2.gz DJJWMACUCVHYHH-KRWDZBQOSA-N 0 1 289.419 3.757 20 0 CHADMN COC(C)(C)CN(C)Cc1ncc(-c2ccccc2C)o1 ZINC000533817517 327120012 /nfs/dbraw/zinc/12/00/12/327120012.db2.gz YXXLXVJYZDZJPV-UHFFFAOYSA-N 0 1 288.391 3.507 20 0 CHADMN Fc1cccc(CN2CCS[C@@H]3CCCC[C@@H]32)c1F ZINC000530992698 327121267 /nfs/dbraw/zinc/12/12/67/327121267.db2.gz DNJZJGGRDLMWAP-UONOGXRCSA-N 0 1 283.387 3.825 20 0 CHADMN C[C@@H]1C[C@@H](C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)CCO1 ZINC000558864050 327127957 /nfs/dbraw/zinc/12/79/57/327127957.db2.gz LRKAVNKYKDPXGX-KEYYUXOJSA-N 0 1 295.373 3.511 20 0 CHADMN Cc1cc(Cl)cc(CN[C@@H](CO)c2cccc(F)c2)c1 ZINC000559267170 327152290 /nfs/dbraw/zinc/15/22/90/327152290.db2.gz KYOBLBRIGNHQJR-INIZCTEOSA-N 0 1 293.769 3.611 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CC[C@@H](c2cccnc2)C1 ZINC000566178008 327157084 /nfs/dbraw/zinc/15/70/84/327157084.db2.gz VOWZOEFUIXGIQR-TZMCWYRMSA-N 0 1 288.341 3.910 20 0 CHADMN COC[C@@H](NCc1c(Cl)cccc1Cl)C(C)C ZINC000086683986 327158484 /nfs/dbraw/zinc/15/84/84/327158484.db2.gz VEMMTGJMQWSGJX-CYBMUJFWSA-N 0 1 276.207 3.754 20 0 CHADMN C[C@@H](c1ncc(-c2ccccc2)o1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000569358294 327162576 /nfs/dbraw/zinc/16/25/76/327162576.db2.gz SUKRBBSPWANTMB-IMJJTQAJSA-N 0 1 298.386 3.513 20 0 CHADMN Cc1ccc2cc(CN3CCC[C@](C)(F)C3)ccc2n1 ZINC000449350252 327166260 /nfs/dbraw/zinc/16/62/60/327166260.db2.gz LOPNEGIXKWIJTF-KRWDZBQOSA-N 0 1 272.367 3.867 20 0 CHADMN Cc1nc(CN[C@@H]2c3ccccc3CCC[C@@H]2C)[nH]c1C ZINC000569379644 327169946 /nfs/dbraw/zinc/16/99/46/327169946.db2.gz LTKZKWHQQBWNKX-SGTLLEGYSA-N 0 1 283.419 3.830 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1CC/C=C\c1ccccc1 ZINC000569380518 327170061 /nfs/dbraw/zinc/17/00/61/327170061.db2.gz GGLKYJJFXNHWEM-DFWYTYFRSA-N 0 1 287.403 3.664 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@H]1CSC[C@H]1C ZINC000569394081 327172027 /nfs/dbraw/zinc/17/20/27/327172027.db2.gz FFKCKLHKHJUNSJ-OTYXRUKQSA-N 0 1 292.379 3.546 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cncc(F)c2)cc1Cl ZINC000090468859 327179026 /nfs/dbraw/zinc/17/90/26/327179026.db2.gz FANLDKQIMKFPGC-JTQLQIEISA-N 0 1 294.757 3.734 20 0 CHADMN CC1(C)CC[C@@H]1NCc1ncc(-c2cccs2)o1 ZINC000569470012 327182759 /nfs/dbraw/zinc/18/27/59/327182759.db2.gz DPEMDCOLNNJEPX-LBPRGKRZSA-N 0 1 262.378 3.681 20 0 CHADMN COC1CC(Sc2nc(Cc3ccccc3)c(C)[nH]2)C1 ZINC000569536241 327195054 /nfs/dbraw/zinc/19/50/54/327195054.db2.gz PXPZADDXNIIIKN-UHFFFAOYSA-N 0 1 288.416 3.578 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000569611710 327212182 /nfs/dbraw/zinc/21/21/82/327212182.db2.gz JLOTWNHTTLTLOO-WBVHZDCISA-N 0 1 289.419 3.736 20 0 CHADMN CCc1ccc([C@@H]2CC[N@@H+](Cc3occc3C(=O)[O-])C2)cc1 ZINC000584303294 327231623 /nfs/dbraw/zinc/23/16/23/327231623.db2.gz OJMZWEAWLZFWSA-OAHLLOKOSA-N 0 1 299.370 3.530 20 0 CHADMN Fc1ccc2c(c1)[C@H](N1CCc3ccsc3C1)CC2 ZINC000536368096 327232234 /nfs/dbraw/zinc/23/22/34/327232234.db2.gz FFQVDVRCAGMUMH-OAHLLOKOSA-N 0 1 273.376 3.933 20 0 CHADMN CC[C@@H]1CN([C@H](C)c2cc(Cl)ccc2Cl)C[C@H]1O ZINC000536369484 327232977 /nfs/dbraw/zinc/23/29/77/327232977.db2.gz RUSWCWVRLZNJSU-GPCCPHFNSA-N 0 1 288.218 3.757 20 0 CHADMN COc1cccc(CNC(C)(C)c2ccccc2OC)c1 ZINC000103172116 327233684 /nfs/dbraw/zinc/23/36/84/327233684.db2.gz FRRCLZOXBBHAKR-UHFFFAOYSA-N 0 1 285.387 3.729 20 0 CHADMN CC(C)(C)c1cc(CN2CC(C)(C)[C@H]3CCC[C@@H]32)no1 ZINC000559432465 327245014 /nfs/dbraw/zinc/24/50/14/327245014.db2.gz TWTFXYKBEHGEEM-KBPBESRZSA-N 0 1 276.424 3.983 20 0 CHADMN CC[C@H]1CCN([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000125418669 327253734 /nfs/dbraw/zinc/25/37/34/327253734.db2.gz KLDOMIZZFTYPFH-QWRGUYRKSA-N 0 1 277.393 3.591 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](CC2CC2)C2CCCCC2)o1 ZINC000573732999 327254414 /nfs/dbraw/zinc/25/44/14/327254414.db2.gz BGTVTAUXSTWJDY-UHFFFAOYSA-N 0 1 277.364 3.523 20 0 CHADMN Cc1ccc(C)c(N(C)Cc2ccc3nc[nH]c3c2)c1 ZINC000559667581 327257364 /nfs/dbraw/zinc/25/73/64/327257364.db2.gz MATAZFZCTQQPHK-UHFFFAOYSA-N 0 1 265.360 3.816 20 0 CHADMN CCn1cc([C@H](C)N[C@@H](C)c2ccc(F)c(F)c2)cn1 ZINC000044496433 327267267 /nfs/dbraw/zinc/26/72/67/327267267.db2.gz QUWKTPNMBLKIPQ-QWRGUYRKSA-N 0 1 279.334 3.593 20 0 CHADMN CCCOc1ccc(CN[C@H]2COCc3ccccc32)cc1 ZINC000559895555 327269311 /nfs/dbraw/zinc/26/93/11/327269311.db2.gz WSXPENHSDPFPQQ-IBGZPJMESA-N 0 1 297.398 3.837 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1cc(F)c(F)c(F)c1 ZINC000559914685 327270727 /nfs/dbraw/zinc/27/07/27/327270727.db2.gz HDWZJYPTLUPPBM-VFWDIBGWSA-N 0 1 261.262 3.645 20 0 CHADMN COc1cccc(C(C)(C)CN[C@@H](C)c2cc(C)on2)c1 ZINC000559917265 327271283 /nfs/dbraw/zinc/27/12/83/327271283.db2.gz YJPMOSAAKMFKTC-ZDUSSCGKSA-N 0 1 288.391 3.620 20 0 CHADMN c1coc([C@@H]2N(Cc3ccc4nc[nH]c4c3)CC23CCC3)c1 ZINC000560153192 327287592 /nfs/dbraw/zinc/28/75/92/327287592.db2.gz WAXDVBLGUBHXHI-KRWDZBQOSA-N 0 1 293.370 3.883 20 0 CHADMN C[C@H](CCC(C)(C)C)N[C@H](CO)c1c(F)cccc1F ZINC000560246925 327292834 /nfs/dbraw/zinc/29/28/34/327292834.db2.gz UKZJXTPFHKSRPR-BXUZGUMPSA-N 0 1 285.378 3.803 20 0 CHADMN CCn1ccnc1[C@H](C)NCc1cc2c(s1)CCCC2 ZINC000560343524 327301090 /nfs/dbraw/zinc/30/10/90/327301090.db2.gz AYXGBPKXWHEQRL-LBPRGKRZSA-N 0 1 289.448 3.694 20 0 CHADMN Cc1oc(C[N@@H+](CC2CC2)C2CCCCC2)cc1C(=O)[O-] ZINC000566358969 327335078 /nfs/dbraw/zinc/33/50/78/327335078.db2.gz ATGWZKZVHJCEPB-UHFFFAOYSA-N 0 1 291.391 3.831 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000566362790 327337768 /nfs/dbraw/zinc/33/77/68/327337768.db2.gz VLODHYCYZIXISC-LRDDRELGSA-N 0 1 299.370 3.664 20 0 CHADMN CC(C)C[C@H](C)[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000560729815 327339452 /nfs/dbraw/zinc/33/94/52/327339452.db2.gz PQQGNHWWWUEXEW-GUTXKFCHSA-N 0 1 267.438 3.945 20 0 CHADMN CC(C)C[C@H](C)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000560729815 327339453 /nfs/dbraw/zinc/33/94/53/327339453.db2.gz PQQGNHWWWUEXEW-GUTXKFCHSA-N 0 1 267.438 3.945 20 0 CHADMN Cc1ccc(C)c([C@H](C)NCc2ncccc2N(C)C)c1 ZINC000583410935 327349758 /nfs/dbraw/zinc/34/97/58/327349758.db2.gz MOPSYZRBDREYHM-HNNXBMFYSA-N 0 1 283.419 3.615 20 0 CHADMN C[C@H](CN1CCC[C@H]1CF)c1cccc(Cl)c1 ZINC000561063782 327362511 /nfs/dbraw/zinc/36/25/11/327362511.db2.gz UCLBXYZDPSRUOY-RISCZKNCSA-N 0 1 255.764 3.877 20 0 CHADMN O=C([O-])CCCC[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000583445858 327371639 /nfs/dbraw/zinc/37/16/39/327371639.db2.gz DRXGESBVZMPGRA-UHFFFAOYSA-N 0 1 293.388 3.598 20 0 CHADMN C[C@@H]1CN(Cc2cccc(NCC3(C)CC3)c2)C[C@H](C)O1 ZINC000564511973 327390077 /nfs/dbraw/zinc/39/00/77/327390077.db2.gz DKTCGUHVIISVST-GASCZTMLSA-N 0 1 288.435 3.508 20 0 CHADMN Cc1ccc(OC(F)F)c(CN2[C@H](C)C[C@H]2C)c1 ZINC000562306316 327466783 /nfs/dbraw/zinc/46/67/83/327466783.db2.gz AIRZNLZXPCTQIH-GHMZBOCLSA-N 0 1 255.308 3.579 20 0 CHADMN COc1nc2ccccc2cc1CN1CC2(C1)CCCC2 ZINC000562321725 327470102 /nfs/dbraw/zinc/47/01/02/327470102.db2.gz RWCPPQIKKLARAI-UHFFFAOYSA-N 0 1 282.387 3.619 20 0 CHADMN Cc1ccoc1CN[C@H](C)c1ccccc1-n1cccn1 ZINC000151857442 327515103 /nfs/dbraw/zinc/51/51/03/327515103.db2.gz HJJHZOCVGYCULB-CQSZACIVSA-N 0 1 281.359 3.625 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccc(C)c(OC)c1 ZINC000507470623 332807978 /nfs/dbraw/zinc/80/79/78/332807978.db2.gz NIPJVRQSEBQXDE-AWEZNQCLSA-N 0 1 284.403 3.812 20 0 CHADMN Cc1cccc([C@H](C)NCc2ccncc2Cl)c1 ZINC000160256615 327604387 /nfs/dbraw/zinc/60/43/87/327604387.db2.gz HNASPCFASSYEPJ-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@H](C)c2cscn2)C12CCCCC2 ZINC000535777753 328630841 /nfs/dbraw/zinc/63/08/41/328630841.db2.gz NNROWVSPRIBBCG-VHDGCEQUSA-N 0 1 294.464 3.922 20 0 CHADMN COc1ccc(CCN[C@H](C)c2cscn2)c(Cl)c1 ZINC000535777477 328630994 /nfs/dbraw/zinc/63/09/94/328630994.db2.gz INRYAFNNJGIROB-SNVBAGLBSA-N 0 1 296.823 3.698 20 0 CHADMN CC(C)OC1CCN(Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000536647084 328674227 /nfs/dbraw/zinc/67/42/27/328674227.db2.gz GFXVIOYCEBBBAV-BBRMVZONSA-N 0 1 277.408 3.792 20 0 CHADMN Fc1ccccc1C1CN(Cc2ccnc3ccccc23)C1 ZINC000519574914 328690795 /nfs/dbraw/zinc/69/07/95/328690795.db2.gz PHQJBLVLMPAXEK-UHFFFAOYSA-N 0 1 292.357 3.973 20 0 CHADMN CC(C)n1cc([C@H](C)N[C@@H]2CCc3ccc(F)cc32)cn1 ZINC000532229027 328709041 /nfs/dbraw/zinc/70/90/41/328709041.db2.gz WLAZQFRNHWZXGW-YVEFUNNKSA-N 0 1 287.382 3.941 20 0 CHADMN CC(C)CCNC(=O)[C@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000042336630 328763879 /nfs/dbraw/zinc/76/38/79/328763879.db2.gz AIYMZOZLCVNRJL-OLZOCXBDSA-N 0 1 296.842 3.541 20 0 CHADMN CCC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000042336645 328764104 /nfs/dbraw/zinc/76/41/04/328764104.db2.gz MEJDKKKTJRAIQZ-AVGNSLFASA-N 0 1 296.842 3.684 20 0 CHADMN CCC(CC)n1ccc(CN2CCC(C)(C)CC2)n1 ZINC000532622077 328791836 /nfs/dbraw/zinc/79/18/36/328791836.db2.gz RPXNGBBZMWJRBM-UHFFFAOYSA-N 0 1 263.429 3.866 20 0 CHADMN C[C@H](CNC(=O)c1ccc(O)c(Cl)c1)c1ccccc1 ZINC000043550673 328803253 /nfs/dbraw/zinc/80/32/53/328803253.db2.gz GPJKAAMIKDYVQH-LLVKDONJSA-N 0 1 289.762 3.579 20 0 CHADMN Cc1ccc(CN[C@H](CC(C)C)c2ccccc2)nn1 ZINC000396558999 328824322 /nfs/dbraw/zinc/82/43/22/328824322.db2.gz SAHFFBSWMYVUFY-QGZVFWFLSA-N 0 1 269.392 3.662 20 0 CHADMN Cc1cc(N[C@H](C)c2cnn(C)c2)c2cc(F)ccc2n1 ZINC000301683753 328829544 /nfs/dbraw/zinc/82/95/44/328829544.db2.gz SVSQQNZYNHPMCJ-LLVKDONJSA-N 0 1 284.338 3.589 20 0 CHADMN Cc1ccsc1[C@H](CO)N[C@H](C)c1cccc(F)c1 ZINC000358385056 328883480 /nfs/dbraw/zinc/88/34/80/328883480.db2.gz QQZUKCCRXXYODP-RISCZKNCSA-N 0 1 279.380 3.580 20 0 CHADMN Cc1ccsc1[C@@H](CO)N[C@H](C)c1cccc(F)c1 ZINC000358385053 328883482 /nfs/dbraw/zinc/88/34/82/328883482.db2.gz QQZUKCCRXXYODP-BXUZGUMPSA-N 0 1 279.380 3.580 20 0 CHADMN c1nc(C2CC2)c(CNc2cc3c(cn2)CCCC3)s1 ZINC000359469682 328897325 /nfs/dbraw/zinc/89/73/25/328897325.db2.gz SAJQNPGYNZVEAB-UHFFFAOYSA-N 0 1 285.416 3.906 20 0 CHADMN Cc1cc(CN[C@H](c2cccnc2)C2CCCCC2)on1 ZINC000363077959 328931170 /nfs/dbraw/zinc/93/11/70/328931170.db2.gz DMHYUBGZPLINJB-KRWDZBQOSA-N 0 1 285.391 3.789 20 0 CHADMN c1cc([C@@H]2CCC[N@@H+](Cc3ccc4occc4c3)C2)[nH]n1 ZINC000377641922 329022812 /nfs/dbraw/zinc/02/28/12/329022812.db2.gz BBJOJVOINYXOGP-OAHLLOKOSA-N 0 1 281.359 3.536 20 0 CHADMN CC(C)(C)[C@H]1C[C@H](NCc2noc3c2CCCC3)CS1 ZINC000377884419 329033282 /nfs/dbraw/zinc/03/32/82/329033282.db2.gz OIAHDVBZHUZMAX-XHDPSFHLSA-N 0 1 294.464 3.563 20 0 CHADMN CC(C)(C)[C@@H]1C[C@H](NCc2noc3c2CCCC3)CS1 ZINC000377884418 329033297 /nfs/dbraw/zinc/03/32/97/329033297.db2.gz OIAHDVBZHUZMAX-NHYWBVRUSA-N 0 1 294.464 3.563 20 0 CHADMN Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000378321145 329046107 /nfs/dbraw/zinc/04/61/07/329046107.db2.gz ROONHMQQVZMIGU-MRXNPFEDSA-N 0 1 282.387 3.882 20 0 CHADMN Cc1cnc(CN2CCC[C@H](c3ccc(F)cc3)CC2)o1 ZINC000378492295 329052462 /nfs/dbraw/zinc/05/24/62/329052462.db2.gz IOTLBFXVZPNABY-AWEZNQCLSA-N 0 1 288.366 3.892 20 0 CHADMN C[C@H](CCc1ccccc1)SCc1n[nH]c(C2CC2)n1 ZINC000193618212 329059786 /nfs/dbraw/zinc/05/97/86/329059786.db2.gz CEDNSXUBHUSRCT-GFCCVEGCSA-N 0 1 287.432 3.937 20 0 CHADMN C=Cn1cc(CN(C)Cc2cccc3ccccc32)cn1 ZINC000193672230 329060447 /nfs/dbraw/zinc/06/04/47/329060447.db2.gz KMHITCUTGQWARF-UHFFFAOYSA-N 0 1 277.371 3.769 20 0 CHADMN C=Cn1cc(CN(C)[C@H](C)c2cccc(Cl)c2)cn1 ZINC000193685299 329060901 /nfs/dbraw/zinc/06/09/01/329060901.db2.gz FLHVTESTLIHQCA-GFCCVEGCSA-N 0 1 275.783 3.830 20 0 CHADMN CCc1ccccc1CSCc1n[nH]c(C2CC2)n1 ZINC000193727674 329061160 /nfs/dbraw/zinc/06/11/60/329061160.db2.gz PVOMBZGCHVSKLU-UHFFFAOYSA-N 0 1 273.405 3.678 20 0 CHADMN COc1cc(CN(C)Cc2ccoc2C)ccc1C ZINC000193794806 329063020 /nfs/dbraw/zinc/06/30/20/329063020.db2.gz JXPJKBAFGIYPQR-UHFFFAOYSA-N 0 1 259.349 3.537 20 0 CHADMN C[C@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccsc1 ZINC000360058532 329070732 /nfs/dbraw/zinc/07/07/32/329070732.db2.gz MBSITEIYHFJKKR-BLLLJJGKSA-N 0 1 272.417 3.585 20 0 CHADMN Cc1ccc(CNc2nccn2CC(C)C)c(C)c1 ZINC000508481813 332839383 /nfs/dbraw/zinc/83/93/83/332839383.db2.gz BBLRMPACERQIKI-UHFFFAOYSA-N 0 1 257.381 3.768 20 0 CHADMN Cc1ccccc1[C@@H](C)[N@@H+](C)CCCCCC(=O)[O-] ZINC000582730052 329132150 /nfs/dbraw/zinc/13/21/50/329132150.db2.gz JAFZQHWMRYAAAM-CQSZACIVSA-N 0 1 263.381 3.633 20 0 CHADMN Cc1nnc(S[C@@H](C)c2ncc(-c3ccccc3)o2)[nH]1 ZINC000172699537 329136779 /nfs/dbraw/zinc/13/67/79/329136779.db2.gz DVUSPBMHZQCHLJ-VIFPVBQESA-N 0 1 286.360 3.621 20 0 CHADMN Cc1n[nH]c(S[C@@H](C)c2ncc(-c3ccccc3)o2)n1 ZINC000172699537 329136780 /nfs/dbraw/zinc/13/67/80/329136780.db2.gz DVUSPBMHZQCHLJ-VIFPVBQESA-N 0 1 286.360 3.621 20 0 CHADMN CCn1ccnc1C[N@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000172549445 329137148 /nfs/dbraw/zinc/13/71/48/329137148.db2.gz BYWLCLZLTLSMOK-JKSUJKDBSA-N 0 1 283.419 3.589 20 0 CHADMN C[C@@H]1CN(Cc2cscn2)CC[C@@H]1c1ccccc1 ZINC000172942469 329140993 /nfs/dbraw/zinc/14/09/93/329140993.db2.gz NUYOMWLLINSKKO-CJNGLKHVSA-N 0 1 272.417 3.769 20 0 CHADMN Cc1ccccc1CCC[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000582755376 329144564 /nfs/dbraw/zinc/14/45/64/329144564.db2.gz QWKSXLWVFJVWNY-RTBURBONSA-N 0 1 299.458 3.961 20 0 CHADMN Clc1ncccc1CN1CCC2(CCCC2)C1 ZINC000174265399 329155983 /nfs/dbraw/zinc/15/59/83/329155983.db2.gz WBGBTFPJFOQYLE-UHFFFAOYSA-N 0 1 250.773 3.501 20 0 CHADMN CC1(C)CCN(Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000174257512 329156070 /nfs/dbraw/zinc/15/60/70/329156070.db2.gz XQUCFPBUYPBNJK-UHFFFAOYSA-N 0 1 291.782 3.622 20 0 CHADMN CC(C)N(Cc1ncc(-c2cccc(F)c2)o1)C1CC1 ZINC000175094937 329162771 /nfs/dbraw/zinc/16/27/71/329162771.db2.gz RAKNVPCDYXNBEX-UHFFFAOYSA-N 0 1 274.339 3.854 20 0 CHADMN COc1ccc(CN(C)[C@@H](C)c2ccccn2)cc1C ZINC000177117080 329181235 /nfs/dbraw/zinc/18/12/35/329181235.db2.gz CHDQNADDUBZNEM-AWEZNQCLSA-N 0 1 270.376 3.592 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccc1-n1cccn1)c1ccco1 ZINC000177188835 329181754 /nfs/dbraw/zinc/18/17/54/329181754.db2.gz RZHHCDOASPILPY-UONOGXRCSA-N 0 1 281.359 3.877 20 0 CHADMN CCCCO[C@H]1C[C@@H](N(C)Cc2c(C)noc2C)C1(C)C ZINC000177736606 329186452 /nfs/dbraw/zinc/18/64/52/329186452.db2.gz BLNXLSIHNPRNGM-CVEARBPZSA-N 0 1 294.439 3.707 20 0 CHADMN CC[C@@H](C)N(C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000177669829 329189036 /nfs/dbraw/zinc/18/90/36/329189036.db2.gz BQASLDDNINLNJV-LLVKDONJSA-N 0 1 262.328 3.711 20 0 CHADMN Cc1ccccc1Cc1nnc(CN2CCC[C@@H](C)CC2)o1 ZINC000178091282 329192478 /nfs/dbraw/zinc/19/24/78/329192478.db2.gz MWWOPKWWCLYQEW-CQSZACIVSA-N 0 1 299.418 3.591 20 0 CHADMN c1cc(CNCc2cccc(-c3ccccn3)c2)co1 ZINC000178740970 329200227 /nfs/dbraw/zinc/20/02/27/329200227.db2.gz JVLDGXGAMBVEEE-UHFFFAOYSA-N 0 1 264.328 3.631 20 0 CHADMN Cn1cc(C[N@H+]2CCC3(CCC3)C2)c(-c2cccs2)n1 ZINC000180282426 329219483 /nfs/dbraw/zinc/21/94/83/329219483.db2.gz QSVJKNGVDGMQAX-UHFFFAOYSA-N 0 1 287.432 3.525 20 0 CHADMN C[C@H](CNCc1cccc(Cl)c1Cl)[N@@H+](C)C1CC1 ZINC000222100104 329220005 /nfs/dbraw/zinc/22/00/05/329220005.db2.gz UITJACSQOOCKTO-SNVBAGLBSA-N 0 1 287.234 3.566 20 0 CHADMN c1[nH]c2ccccc2c1C1=CCN(Cc2ccncc2)CC1 ZINC000180658960 329221714 /nfs/dbraw/zinc/22/17/14/329221714.db2.gz VITXJYCXVLLNLA-UHFFFAOYSA-N 0 1 289.382 3.852 20 0 CHADMN c1ccc(CN(Cc2cccc3cccnc32)C2CC2)nc1 ZINC000180868564 329223773 /nfs/dbraw/zinc/22/37/73/329223773.db2.gz HKFKMWXSRVBNJF-UHFFFAOYSA-N 0 1 289.382 3.794 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN(C)Cc1cccnc1 ZINC000182034024 329238934 /nfs/dbraw/zinc/23/89/34/329238934.db2.gz WBIGXMQEIALTBJ-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN CN(Cc1ccc(CO)cc1)Cc1ccc(Cl)c(F)c1 ZINC000182974346 329246070 /nfs/dbraw/zinc/24/60/70/329246070.db2.gz JSGPKJNGYKZIFI-UHFFFAOYSA-N 0 1 293.769 3.603 20 0 CHADMN Cc1nc(C(F)(F)F)c(CN2[C@H](C)CC[C@@H]2C)s1 ZINC000183605938 329251402 /nfs/dbraw/zinc/25/14/02/329251402.db2.gz JDXAJJGVOACZKP-OCAPTIKFSA-N 0 1 278.343 3.843 20 0 CHADMN Clc1ccc(CN[C@H]2COCc3ccccc32)s1 ZINC000226000852 329256426 /nfs/dbraw/zinc/25/64/26/329256426.db2.gz HKWHFGJYUWMXMR-ZDUSSCGKSA-N 0 1 279.792 3.763 20 0 CHADMN CCCC[C@@H]1CCC[C@H]1NCc1nc([C@@H](C)OCC)no1 ZINC000184706174 329262501 /nfs/dbraw/zinc/26/25/01/329262501.db2.gz NWLMFEKTFPZABM-MGPQQGTHSA-N 0 1 295.427 3.616 20 0 CHADMN CCOc1ccc([C@H]2CCC[N@H+]2Cc2cnoc2C)cc1 ZINC000185149832 329266801 /nfs/dbraw/zinc/26/68/01/329266801.db2.gz QUHBNGZQMPZLQG-QGZVFWFLSA-N 0 1 286.375 3.719 20 0 CHADMN CCOc1ccc([C@H]2CCCN2Cc2cnoc2C)cc1 ZINC000185149832 329266803 /nfs/dbraw/zinc/26/68/03/329266803.db2.gz QUHBNGZQMPZLQG-QGZVFWFLSA-N 0 1 286.375 3.719 20 0 CHADMN CC[C@@H](N[C@@H](C)c1n[nH]c(C)n1)c1cccc(Cl)c1 ZINC000392333088 329270605 /nfs/dbraw/zinc/27/06/05/329270605.db2.gz DMHAHOSCOBPWHJ-TVQRCGJNSA-N 0 1 278.787 3.568 20 0 CHADMN C[C@H]1Oc2ccccc2[C@H]1NCc1cc2ccc(F)cc2[nH]1 ZINC000582957356 329289442 /nfs/dbraw/zinc/28/94/42/329289442.db2.gz UDKGJDMLWZXWMQ-ZMZPIMSZSA-N 0 1 296.345 3.919 20 0 CHADMN CCc1cnc(CN(C)C2CCC(C(C)C)CC2)o1 ZINC000582958370 329289684 /nfs/dbraw/zinc/28/96/84/329289684.db2.gz USHXQHYFMQVCFH-UHFFFAOYSA-N 0 1 264.413 3.884 20 0 CHADMN Cc1ccnc(CN2CCC[C@@]2(C)Cc2cccc(F)c2)n1 ZINC000583022165 329298799 /nfs/dbraw/zinc/29/87/99/329298799.db2.gz WJSLMRRIOXUYBF-SFHVURJKSA-N 0 1 299.393 3.521 20 0 CHADMN CC(C)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000395759530 329300871 /nfs/dbraw/zinc/30/08/71/329300871.db2.gz KUNOLTMRRVBAGJ-OAHLLOKOSA-N 0 1 279.355 3.534 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H](C)c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000392451672 329341219 /nfs/dbraw/zinc/34/12/19/329341219.db2.gz HAGFOGQIKSJZGK-DTWKUNHWSA-N 0 1 298.312 3.544 20 0 CHADMN Cc1cc(C)c2c(c1)CN([C@@H](C)c1ccccn1)CC2 ZINC000186724525 329348271 /nfs/dbraw/zinc/34/82/71/329348271.db2.gz FQAXGQPJTUUXON-HNNXBMFYSA-N 0 1 266.388 3.818 20 0 CHADMN c1ccc(-c2ccc(NCc3n[nH]c(C4CC4)n3)cc2)cc1 ZINC000187401906 329357516 /nfs/dbraw/zinc/35/75/16/329357516.db2.gz NGHLKDDKMLQBBD-UHFFFAOYSA-N 0 1 290.370 3.961 20 0 CHADMN CC(C)c1cccc2c1CC[N@@H+](CC1=CCCOC1)C2 ZINC000188128970 329364940 /nfs/dbraw/zinc/36/49/40/329364940.db2.gz UWJVBHMAOGPBAL-UHFFFAOYSA-N 0 1 271.404 3.515 20 0 CHADMN C[C@H](NCc1cncc(F)c1)c1ccc(Cl)s1 ZINC000230938547 329372573 /nfs/dbraw/zinc/37/25/73/329372573.db2.gz QXVFRYAIGDFZPO-QMMMGPOBSA-N 0 1 270.760 3.786 20 0 CHADMN C[C@H]1CCCN(Cc2nccn2Cc2ccccc2)CC1 ZINC000063302518 329378404 /nfs/dbraw/zinc/37/84/04/329378404.db2.gz LNKSBIBEEPGTQF-INIZCTEOSA-N 0 1 283.419 3.553 20 0 CHADMN CCC1(c2ccccc2)CN(Cc2cccnc2C)C1 ZINC000459742538 329378646 /nfs/dbraw/zinc/37/86/46/329378646.db2.gz FDBYDPHXLYTUCD-UHFFFAOYSA-N 0 1 266.388 3.554 20 0 CHADMN CN(CC(=O)Nc1ccc(F)cc1Cl)C1CC(C)(C)C1 ZINC000459743786 329379014 /nfs/dbraw/zinc/37/90/14/329379014.db2.gz QCTZXGGLTNNSEC-UHFFFAOYSA-N 0 1 298.789 3.538 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2CCOc3c(C)cccc32)s1 ZINC000189378691 329380744 /nfs/dbraw/zinc/38/07/44/329380744.db2.gz JBFUMHURYBCLIK-BXUZGUMPSA-N 0 1 288.416 3.934 20 0 CHADMN Cc1ccc(CNCc2ccc(-n3ccnc3C)c(F)c2)o1 ZINC000063549033 329386685 /nfs/dbraw/zinc/38/66/85/329386685.db2.gz AKWNEUHAYYKSEI-UHFFFAOYSA-N 0 1 299.349 3.511 20 0 CHADMN COc1ccccc1[C@H]1CCCN1Cc1cncc(C)c1 ZINC000189866510 329389792 /nfs/dbraw/zinc/38/97/92/329389792.db2.gz BYLDKFNXPZBEOR-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN Cc1ccc(C)c(OC2CCN(Cc3cccn3C)CC2)c1 ZINC000193520740 329522660 /nfs/dbraw/zinc/52/26/60/329522660.db2.gz VPPHZVXEKLMJPI-UHFFFAOYSA-N 0 1 298.430 3.685 20 0 CHADMN Cc1cc(Br)ccc1CNCc1ccco1 ZINC000037927585 329550881 /nfs/dbraw/zinc/55/08/81/329550881.db2.gz YKVDDLIGZQBLMN-UHFFFAOYSA-N 0 1 280.165 3.640 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cccc(Cl)c2)nc1 ZINC000126934725 329595487 /nfs/dbraw/zinc/59/54/87/329595487.db2.gz PGSXGVHDEOVIOQ-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN CC(C)c1csc(CN[C@@H]2CC(C)(C)OC2(C)C)n1 ZINC000128679688 329610759 /nfs/dbraw/zinc/61/07/59/329610759.db2.gz GSHWINGYNPJYEO-GFCCVEGCSA-N 0 1 282.453 3.702 20 0 CHADMN C[C@H]1Oc2cc(F)ccc2[C@@H]1NCc1cccc(F)c1 ZINC000564116876 329675913 /nfs/dbraw/zinc/67/59/13/329675913.db2.gz MWKSRAZQBGYKKB-QLJPJBMISA-N 0 1 275.298 3.577 20 0 CHADMN FC(F)C[C@@H](NCc1cncs1)c1ccccc1 ZINC000421379228 329817506 /nfs/dbraw/zinc/81/75/06/329817506.db2.gz WURZNRULEGFXGQ-GFCCVEGCSA-N 0 1 268.332 3.629 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@@H]2CC23CCSCC3)c1Cl ZINC000421386706 329819002 /nfs/dbraw/zinc/81/90/02/329819002.db2.gz ROLAKGXSVQKNLR-LBPRGKRZSA-N 0 1 297.851 3.669 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@H](C)c2nccs2)C1(CC)CC ZINC000246306743 329825920 /nfs/dbraw/zinc/82/59/20/329825920.db2.gz DMBMXMJSNYNPOG-FRRDWIJNSA-N 0 1 282.453 3.778 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@H](C)c2nccs2)C1(CC)CC ZINC000246306766 329825983 /nfs/dbraw/zinc/82/59/83/329825983.db2.gz DMBMXMJSNYNPOG-JHJVBQTASA-N 0 1 282.453 3.778 20 0 CHADMN c1csc(CN(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000072889791 329859501 /nfs/dbraw/zinc/85/95/01/329859501.db2.gz BGWQIGQJMQMTNB-CYBMUJFWSA-N 0 1 293.457 3.991 20 0 CHADMN CC(C)c1nc(CNC[C@@H](C)C(F)(F)F)c2ccccn21 ZINC000572369513 330008822 /nfs/dbraw/zinc/00/88/22/330008822.db2.gz IQGZRVSTYPLMBD-LLVKDONJSA-N 0 1 299.340 3.746 20 0 CHADMN C[C@H](CC1CCCCC1)C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263027739 330039370 /nfs/dbraw/zinc/03/93/70/330039370.db2.gz GMEMFEGWLVRHPN-FMKPAKJESA-N 0 1 281.440 3.636 20 0 CHADMN Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000263130506 330045052 /nfs/dbraw/zinc/04/50/52/330045052.db2.gz CWVVHHPTDVLANG-STQMWFEESA-N 0 1 295.810 3.642 20 0 CHADMN C[C@H](C[N@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C)c1cccc(Cl)c1 ZINC000263336202 330052507 /nfs/dbraw/zinc/05/25/07/330052507.db2.gz MMQORZJTMNHJJI-BZPMIXESSA-N 0 1 295.810 3.629 20 0 CHADMN CC(C)c1ccc(CC[N@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000263349368 330052683 /nfs/dbraw/zinc/05/26/83/330052683.db2.gz PJSSBTNNWUKOND-WMLDXEAASA-N 0 1 289.419 3.538 20 0 CHADMN CCCC1CCC(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)CC1 ZINC000263350374 330052887 /nfs/dbraw/zinc/05/28/87/330052887.db2.gz PQGYDVCJUYUCOW-LBDPXKHJSA-N 0 1 281.440 3.778 20 0 CHADMN Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@H]2C(=O)[O-])c1 ZINC000263409192 330054626 /nfs/dbraw/zinc/05/46/26/330054626.db2.gz KVEBGORASFHWTR-SFHVURJKSA-N 0 1 295.382 3.711 20 0 CHADMN Cc1ccc(-c2cccc(C[N@H+](C)[C@@H](C)C(=O)[O-])c2)cc1 ZINC000263424354 330055265 /nfs/dbraw/zinc/05/52/65/330055265.db2.gz PZPMCFJKTDZJOH-AWEZNQCLSA-N 0 1 283.371 3.567 20 0 CHADMN Cc1c(C[N@H+](C)[C@H](C)C(=O)[O-])sc2c1cccc2Cl ZINC000263443124 330055931 /nfs/dbraw/zinc/05/59/31/330055931.db2.gz XCKUUZPWAUECLZ-SECBINFHSA-N 0 1 297.807 3.768 20 0 CHADMN Cc1ccccc1-c1cccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)c1 ZINC000263442831 330056045 /nfs/dbraw/zinc/05/60/45/330056045.db2.gz XAKQXBVJPDCYOX-KRWDZBQOSA-N 0 1 295.382 3.569 20 0 CHADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000263491548 330057596 /nfs/dbraw/zinc/05/75/96/330057596.db2.gz RKAGDRDOPORFRF-SFHVURJKSA-N 0 1 297.398 3.838 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000263582745 330059905 /nfs/dbraw/zinc/05/99/05/330059905.db2.gz YYNVKPBALIOLFE-CQSZACIVSA-N 0 1 287.384 3.783 20 0 CHADMN Cc1ccccc1CN[C@H](C)c1ccncc1Cl ZINC000421813551 330085464 /nfs/dbraw/zinc/08/54/64/330085464.db2.gz GTKZZDNQIGMOJH-GFCCVEGCSA-N 0 1 260.768 3.894 20 0 CHADMN O=C([O-])[C@@H]([NH2+]Cc1cccc(C2CC2)c1)c1cccs1 ZINC000421816985 330086076 /nfs/dbraw/zinc/08/60/76/330086076.db2.gz RKQOIFCMTOBCSD-HNNXBMFYSA-N 0 1 287.384 3.541 20 0 CHADMN CC(C)CC[C@H](O)CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000504686148 330087521 /nfs/dbraw/zinc/08/75/21/330087521.db2.gz ABEMXKSQMZNDMG-JKSUJKDBSA-N 0 1 281.827 3.884 20 0 CHADMN C[C@@H](N[C@@H](C)Cc1ccc(F)cc1Cl)c1ccon1 ZINC000421843657 330094271 /nfs/dbraw/zinc/09/42/71/330094271.db2.gz RCAWBJQJZHERFJ-VHSXEESVSA-N 0 1 282.746 3.749 20 0 CHADMN C[C@H](Cc1ccc(F)cc1Cl)N[C@H](C)c1ccon1 ZINC000421843655 330094287 /nfs/dbraw/zinc/09/42/87/330094287.db2.gz RCAWBJQJZHERFJ-NXEZZACHSA-N 0 1 282.746 3.749 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421866300 330099385 /nfs/dbraw/zinc/09/93/85/330099385.db2.gz NSYDSPDJTXYWMT-YIZRAAEISA-N 0 1 283.730 3.559 20 0 CHADMN CCc1ccccc1CN[C@@H](CC)c1nccs1 ZINC000080260004 330115349 /nfs/dbraw/zinc/11/53/49/330115349.db2.gz BLDRCEFERCPOEI-AWEZNQCLSA-N 0 1 260.406 3.946 20 0 CHADMN Cc1cccc([C@H](C)N[C@H](c2ccccc2F)[C@@H](C)O)c1 ZINC000574995079 330126035 /nfs/dbraw/zinc/12/60/35/330126035.db2.gz VPLAJIIBCWCPLQ-IYOUNJFTSA-N 0 1 287.378 3.907 20 0 CHADMN CC1(C)CC(NCc2coc(-c3cccs3)n2)C1 ZINC000433152006 330155482 /nfs/dbraw/zinc/15/54/82/330155482.db2.gz PRKIEPKQNBOCBS-UHFFFAOYSA-N 0 1 262.378 3.681 20 0 CHADMN C[C@@H](N[C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccncc1 ZINC000423421227 330197932 /nfs/dbraw/zinc/19/79/32/330197932.db2.gz AUOPNNJKZRAYLY-WBMJQRKESA-N 0 1 297.402 3.617 20 0 CHADMN Fc1ccc(CN2CC[C@H](c3cccc(Cl)c3)C2)nc1 ZINC000433305675 330217325 /nfs/dbraw/zinc/21/73/25/330217325.db2.gz QNVWHCXNWUNTJB-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN CCC(C)(C)N(C)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000527189380 330232365 /nfs/dbraw/zinc/23/23/65/330232365.db2.gz YPABZKGXYWJEQR-UHFFFAOYSA-N 0 1 285.391 3.646 20 0 CHADMN CCOc1ccc(C2=CCN(CC3(F)CC3)CC2)cc1 ZINC000527235439 330239774 /nfs/dbraw/zinc/23/97/74/330239774.db2.gz NKRCNFFJTABBPJ-UHFFFAOYSA-N 0 1 275.367 3.677 20 0 CHADMN COc1ccc(C)cc1CN[C@@H](C)c1ccccc1OC ZINC000035162009 330242891 /nfs/dbraw/zinc/24/28/91/330242891.db2.gz QDDRUTQQXVAPNG-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN CC(C)n1nccc1CN1CC[C@@H](C)[C@@H]2CCCC[C@H]21 ZINC000527510266 330255370 /nfs/dbraw/zinc/25/53/70/330255370.db2.gz MGRBCFUZPROFAC-HYVNUMGLSA-N 0 1 275.440 3.865 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cnc(C2CC2)s1 ZINC000527529383 330258044 /nfs/dbraw/zinc/25/80/44/330258044.db2.gz FXGNUXXENWAOMD-GZMMTYOYSA-N 0 1 290.354 3.793 20 0 CHADMN C[C@@H](N[C@H](CO)c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000536866903 330258380 /nfs/dbraw/zinc/25/83/80/330258380.db2.gz BWFZTKOBPACSKK-BDJLRTHQSA-N 0 1 293.769 3.863 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H](CO)c2cccc(F)c2)cc1C ZINC000536867323 330258641 /nfs/dbraw/zinc/25/86/41/330258641.db2.gz CPYKXTLJDSPMKJ-KSSFIOAISA-N 0 1 287.378 3.827 20 0 CHADMN COc1ccc2c(c1)C[C@@H](C)N(Cc1ccnc(C)c1)[C@@H]2C ZINC000527539188 330260829 /nfs/dbraw/zinc/26/08/29/330260829.db2.gz PPEGISQRYBRDQE-HUUCEWRRSA-N 0 1 296.414 3.906 20 0 CHADMN CC(C)c1ncc2c(n1)CCN([C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000527622546 330265918 /nfs/dbraw/zinc/26/59/18/330265918.db2.gz ZZSXCTGKMJSFHC-SJLPKXTDSA-N 0 1 293.414 3.514 20 0 CHADMN Cc1ccc(CNCc2ccnc(C)c2)c(OCC2CC2)c1 ZINC000527677350 330270346 /nfs/dbraw/zinc/27/03/46/330270346.db2.gz YRPBRLWAGUTNJX-UHFFFAOYSA-N 0 1 296.414 3.777 20 0 CHADMN CCOc1cc(Cl)ccc1CNCc1ccnc(C)c1 ZINC000527683083 330271139 /nfs/dbraw/zinc/27/11/39/330271139.db2.gz NUZKUCKTZJAACZ-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN Cc1cncc(CNCc2ccsc2C(F)(F)F)c1 ZINC000527687382 330271591 /nfs/dbraw/zinc/27/15/91/330271591.db2.gz ULKUDDYQYBFZHJ-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2NCc1ccncc1Cl ZINC000527648676 330271897 /nfs/dbraw/zinc/27/18/97/330271897.db2.gz JRCVVADYEDMJMN-OAHLLOKOSA-N 0 1 276.742 3.651 20 0 CHADMN CCCNc1ccc(CNCc2ccncc2Cl)cc1 ZINC000527702073 330274668 /nfs/dbraw/zinc/27/46/68/330274668.db2.gz VLHGPNPWXMZWKR-UHFFFAOYSA-N 0 1 289.810 3.847 20 0 CHADMN Cc1cnc(CN[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)s1 ZINC000527747854 330280665 /nfs/dbraw/zinc/28/06/65/330280665.db2.gz CFNJOHMNTQEBKD-VHDGCEQUSA-N 0 1 290.819 3.533 20 0 CHADMN Cc1nc2ccc(NC(=O)C[C@H](C)c3ccco3)cc2[nH]1 ZINC000527763686 330281506 /nfs/dbraw/zinc/28/15/06/330281506.db2.gz LQNVOWFVEBGZEU-JTQLQIEISA-N 0 1 283.331 3.597 20 0 CHADMN COc1ccccc1CN[C@@H](c1ccccn1)C1CCC1 ZINC000527770794 330281932 /nfs/dbraw/zinc/28/19/32/330281932.db2.gz GUVPKACGTWKAME-GOSISDBHSA-N 0 1 282.387 3.721 20 0 CHADMN CCO[C@@]1(C)C[C@H]1NCc1c(Cl)ccc2cccnc21 ZINC000527783476 330283242 /nfs/dbraw/zinc/28/32/42/330283242.db2.gz WIOCVXSIMMSLKB-ZBFHGGJFSA-N 0 1 290.794 3.545 20 0 CHADMN CC(C)c1cccc([C@@H](C)NCc2n[nH]c(C3CC3)n2)c1 ZINC000527904708 330289784 /nfs/dbraw/zinc/28/97/84/330289784.db2.gz PUVPOCVMMGRQRX-GFCCVEGCSA-N 0 1 284.407 3.656 20 0 CHADMN CC[C@H](CCc1ccccc1)N[C@@H](C)c1csnn1 ZINC000527907261 330290345 /nfs/dbraw/zinc/29/03/45/330290345.db2.gz FZRCQTJQDOPTQC-GXTWGEPZSA-N 0 1 275.421 3.600 20 0 CHADMN C[C@H](N[C@H]1CC1(C)C)c1cc(-c2ccccc2)n(C)n1 ZINC000527910989 330290685 /nfs/dbraw/zinc/29/06/85/330290685.db2.gz WJSDWZRVFLZZGU-LRDDRELGSA-N 0 1 269.392 3.536 20 0 CHADMN CC(C)c1cccc([C@H](C)NCc2ccnc(N(C)C)n2)c1 ZINC000527875262 330291082 /nfs/dbraw/zinc/29/10/82/330291082.db2.gz CGUSRIPQRMGWIL-AWEZNQCLSA-N 0 1 298.434 3.517 20 0 CHADMN CC[C@@H](N[C@@H]1CCn2ccnc21)c1cc(C)ccc1C ZINC000527901240 330293461 /nfs/dbraw/zinc/29/34/61/330293461.db2.gz FPAVEHBHNXEMRX-HZPDHXFCSA-N 0 1 269.392 3.686 20 0 CHADMN Cc1ncccc1CN[C@@H]1CC(C)(C)Cc2occc21 ZINC000527986464 330298692 /nfs/dbraw/zinc/29/86/92/330298692.db2.gz MBPUNHKDKDUZLI-OAHLLOKOSA-N 0 1 270.376 3.786 20 0 CHADMN COc1ccc(Cl)cc1[C@H](C)NCc1cccnc1C ZINC000527988912 330298979 /nfs/dbraw/zinc/29/89/79/330298979.db2.gz WCCSZVYVJWDNBA-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN COc1cc(Cl)ccc1[C@H](C)NCc1cccnc1C ZINC000527988660 330299041 /nfs/dbraw/zinc/29/90/41/330299041.db2.gz VAMYEAVZXCJXLZ-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H](c1ccccn1)C1CCC1 ZINC000527961259 330300623 /nfs/dbraw/zinc/30/06/23/330300623.db2.gz BIDQGEDTLJUOGS-KDOFPFPSSA-N 0 1 281.403 3.977 20 0 CHADMN CCO[C@H]1C[C@H](N[C@@H](C)c2ncccc2F)C12CCCC2 ZINC000528034634 330302407 /nfs/dbraw/zinc/30/24/07/330302407.db2.gz AAYLMCCJUXQPEE-QEJZJMRPSA-N 0 1 292.398 3.609 20 0 CHADMN Cc1cc(CNCc2cncn2C(C)C)ccc1Cl ZINC000424159499 330306218 /nfs/dbraw/zinc/30/62/18/330306218.db2.gz AAXPXBCUMVGEDF-UHFFFAOYSA-N 0 1 277.799 3.716 20 0 CHADMN C[C@@H]1CC(F)(F)CCN1c1ccnc2cc(F)ccc21 ZINC000528210228 330313344 /nfs/dbraw/zinc/31/33/44/330313344.db2.gz UXXKHYHCXIAAOI-SNVBAGLBSA-N 0 1 280.293 3.998 20 0 CHADMN C/C(Cl)=C/CN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000528343258 330319837 /nfs/dbraw/zinc/31/98/37/330319837.db2.gz AOXLLRWAKXUTLK-DJXGBFBFSA-N 0 1 279.811 3.575 20 0 CHADMN Cc1ccccc1[C@H](C)N(C)Cc1cc(CO)ccc1F ZINC000528352776 330321582 /nfs/dbraw/zinc/32/15/82/330321582.db2.gz KSVWDWKKVJFUAC-AWEZNQCLSA-N 0 1 287.378 3.819 20 0 CHADMN OCc1ccc(F)c(CN2CCC[C@@H]2c2ccsc2)c1 ZINC000528353531 330321664 /nfs/dbraw/zinc/32/16/64/330321664.db2.gz VVZFLFUFLMBSIV-MRXNPFEDSA-N 0 1 291.391 3.717 20 0 CHADMN Cc1ccccc1[C@@H](C)N(C)Cc1cc(CO)ccc1F ZINC000528352780 330321714 /nfs/dbraw/zinc/32/17/14/330321714.db2.gz KSVWDWKKVJFUAC-CQSZACIVSA-N 0 1 287.378 3.819 20 0 CHADMN COCc1cccc(CN[C@@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000424189330 330322208 /nfs/dbraw/zinc/32/22/08/330322208.db2.gz DGUXRIDDCRKHCB-QZTJIDSGSA-N 0 1 285.362 3.560 20 0 CHADMN C[C@H]1CCCN(Cc2cccnc2C(F)(F)F)CC1 ZINC000528359146 330322330 /nfs/dbraw/zinc/32/23/30/330322330.db2.gz HFTNWRWTFDHIFS-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN CC(C)C[C@H]1CCCCN1Cc1nc(C(C)(C)C)no1 ZINC000533068777 330326443 /nfs/dbraw/zinc/32/64/43/330326443.db2.gz JOZYEWWFKUPWBB-CYBMUJFWSA-N 0 1 279.428 3.768 20 0 CHADMN Cc1cc([C@@H](C)NC(=O)c2ccc(O)c(Cl)c2)c(C)o1 ZINC000044731480 330331449 /nfs/dbraw/zinc/33/14/49/330331449.db2.gz WFILHRITWTWNIC-SECBINFHSA-N 0 1 293.750 3.746 20 0 CHADMN Cc1noc(C)c1CN[C@@H](c1ccc(C)cc1)C1CC1 ZINC000106049636 330331604 /nfs/dbraw/zinc/33/16/04/330331604.db2.gz IQVWVFIXKJZXNP-KRWDZBQOSA-N 0 1 270.376 3.841 20 0 CHADMN COc1ccc([C@H](C)NCCC(F)(F)F)c(Cl)c1 ZINC000424312838 330338970 /nfs/dbraw/zinc/33/89/70/330338970.db2.gz NCQIJPGIIVTWPR-QMMMGPOBSA-N 0 1 281.705 3.952 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H]2CC23CC3)c(Br)c1 ZINC000424320013 330340002 /nfs/dbraw/zinc/34/00/02/330340002.db2.gz IOQJSFKBHRTWIZ-NOZJJQNGSA-N 0 1 296.208 3.661 20 0 CHADMN Cc1ccc(C[C@@H](C)c2nc(C3(N)CCCCC3)no2)cc1 ZINC000424339361 330343917 /nfs/dbraw/zinc/34/39/17/330343917.db2.gz CPWACHNSGGGRSD-CQSZACIVSA-N 0 1 299.418 3.842 20 0 CHADMN C/C(=C/C(C)(C)C)c1nc(C2(N)CCCCC2)no1 ZINC000424345138 330344584 /nfs/dbraw/zinc/34/45/84/330344584.db2.gz MRSBIRHSPAVHIP-KHPPLWFESA-N 0 1 263.385 3.637 20 0 CHADMN CC1(Cc2nc(C3(N)CCCCC3)no2)CCCCC1 ZINC000424345020 330344644 /nfs/dbraw/zinc/34/46/44/330344644.db2.gz MISNVDWFKHYQQE-UHFFFAOYSA-N 0 1 277.412 3.701 20 0 CHADMN CC(C)(Cc1nc(C2(N)CCCCC2)no1)c1ccccc1 ZINC000424343154 330346115 /nfs/dbraw/zinc/34/61/15/330346115.db2.gz JMMSMUPGZVNZLM-UHFFFAOYSA-N 0 1 299.418 3.708 20 0 CHADMN CC(C)C1CCC(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])CC1 ZINC000424417554 330350824 /nfs/dbraw/zinc/35/08/24/330350824.db2.gz MDZPUVPXMAEMQZ-LBDPXKHJSA-N 0 1 281.440 3.634 20 0 CHADMN C[C@@H]1CCC[N@@H+](CCCC2CCCCC2)[C@@H]1C(=O)[O-] ZINC000424424132 330351667 /nfs/dbraw/zinc/35/16/67/330351667.db2.gz WAJIHEUIQKRRAK-HIFRSBDPSA-N 0 1 267.413 3.532 20 0 CHADMN CC(C)N(Cc1nc(C(C)(C)C)no1)C1CCCC1 ZINC000108364500 330353683 /nfs/dbraw/zinc/35/36/83/330353683.db2.gz QLIZERSQAAQLQW-UHFFFAOYSA-N 0 1 265.401 3.520 20 0 CHADMN COc1ccnc(CN(C)Cc2ccc(C(C)C)cc2)c1 ZINC000533238421 330354446 /nfs/dbraw/zinc/35/44/46/330354446.db2.gz REWDCOCFRFKCHK-UHFFFAOYSA-N 0 1 284.403 3.846 20 0 CHADMN CCOc1cccc(CNCc2cc(C)ccc2F)c1 ZINC000116913751 330361287 /nfs/dbraw/zinc/36/12/87/330361287.db2.gz KOVAQKRAWBYHDN-UHFFFAOYSA-N 0 1 273.351 3.823 20 0 CHADMN CC(C)(C)c1n[nH]c(SCCCCC(F)(F)F)n1 ZINC000119076623 330369981 /nfs/dbraw/zinc/36/99/81/330369981.db2.gz SKJARJRETJBZNV-UHFFFAOYSA-N 0 1 281.347 3.927 20 0 CHADMN CC(C)(C)c1nc(SCCCCC(F)(F)F)n[nH]1 ZINC000119076623 330369982 /nfs/dbraw/zinc/36/99/82/330369982.db2.gz SKJARJRETJBZNV-UHFFFAOYSA-N 0 1 281.347 3.927 20 0 CHADMN C[C@H](NCc1cccnc1)c1ccc(Cl)c(F)c1 ZINC000213809343 330371907 /nfs/dbraw/zinc/37/19/07/330371907.db2.gz BYPNXBOQGCGSBD-JTQLQIEISA-N 0 1 264.731 3.725 20 0 CHADMN CC[N@@H+](CCCc1ccccc1C)Cc1ccccn1 ZINC000119828521 330379012 /nfs/dbraw/zinc/37/90/12/330379012.db2.gz JDLOCPSTHCSYLC-UHFFFAOYSA-N 0 1 268.404 3.845 20 0 CHADMN CC(C)(C)c1nc2ccc(NC(=O)[C@]3(C)C[C@H]3F)cc2[nH]1 ZINC000424567115 330379388 /nfs/dbraw/zinc/37/93/88/330379388.db2.gz QLIMKHIKZIBALY-MLGOLLRUSA-N 0 1 289.354 3.547 20 0 CHADMN C[C@@H]1CN(CC2CCCC2)C[C@H](c2ccsc2)O1 ZINC000120927722 330393173 /nfs/dbraw/zinc/39/31/73/330393173.db2.gz XIGQEFFBXNOZER-IUODEOHRSA-N 0 1 265.422 3.700 20 0 CHADMN CC[C@]1(C)CC[N@H+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000537047994 330394510 /nfs/dbraw/zinc/39/45/10/330394510.db2.gz CXELITOGSWXGFQ-BLLLJJGKSA-N 0 1 279.380 3.558 20 0 CHADMN CCC[C@H](NCc1cc(F)cc(OC)c1)c1ccccn1 ZINC000090972180 330397286 /nfs/dbraw/zinc/39/72/86/330397286.db2.gz QRYQEAUEDNHMOI-INIZCTEOSA-N 0 1 288.366 3.860 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1cn2cc(Cl)ccc2n1 ZINC000091098573 330398817 /nfs/dbraw/zinc/39/88/17/330398817.db2.gz QLZJATNIVFZDBO-ZDUSSCGKSA-N 0 1 297.855 3.561 20 0 CHADMN CCO[C@H]1C[C@H](NCc2cc(C(CC)CC)no2)C1(C)C ZINC000537295434 330431539 /nfs/dbraw/zinc/43/15/39/330431539.db2.gz LJIJTBNGGBEUOA-HOTGVXAUSA-N 0 1 294.439 3.871 20 0 CHADMN CCc1ccc(CN[C@@H](C)[C@H](OC)c2ccccc2F)o1 ZINC000537384544 330435520 /nfs/dbraw/zinc/43/55/20/330435520.db2.gz SOOYVDBIMLLJHA-SJCJKPOMSA-N 0 1 291.366 3.847 20 0 CHADMN CCc1nc(CNCCc2ccc(Cl)s2)cs1 ZINC000098170609 330456594 /nfs/dbraw/zinc/45/65/94/330456594.db2.gz NRXLBTCBBSINHK-UHFFFAOYSA-N 0 1 286.853 3.753 20 0 CHADMN CCOc1cccc(CN[C@H](CC)c2ccc(F)cn2)c1 ZINC000161863153 330628042 /nfs/dbraw/zinc/62/80/42/330628042.db2.gz JSWMHXOHOGTNQA-MRXNPFEDSA-N 0 1 288.366 3.860 20 0 CHADMN C[C@@H]1CCC[C@H](NCc2noc(-c3ccccc3F)n2)C1 ZINC000435036881 330648473 /nfs/dbraw/zinc/64/84/73/330648473.db2.gz WMMWRAWTGOOPPA-NEPJUHHUSA-N 0 1 289.354 3.544 20 0 CHADMN CCC[C@@]1(C)CCCN(C(=O)c2ccc(F)cc2O)C1 ZINC000436577937 330680702 /nfs/dbraw/zinc/68/07/02/330680702.db2.gz WEOGWWDCNLZZDE-INIZCTEOSA-N 0 1 279.355 3.574 20 0 CHADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H]2CC23CCCCC3)c1 ZINC000436682621 330682649 /nfs/dbraw/zinc/68/26/49/330682649.db2.gz VVQFZTSDEYZNPY-ZDUSSCGKSA-N 0 1 287.359 3.504 20 0 CHADMN O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1c(O)cccc1F ZINC000436896028 330688015 /nfs/dbraw/zinc/68/80/15/330688015.db2.gz ZUHRSKYLTWGSDR-UHFFFAOYSA-N 0 1 296.301 3.779 20 0 CHADMN CC[C@@H](F)CN1CCC(F)(c2cccc(OC)c2)CC1 ZINC000440513041 330749575 /nfs/dbraw/zinc/74/95/75/330749575.db2.gz VOXDXUVICXRRHJ-CQSZACIVSA-N 0 1 283.362 3.704 20 0 CHADMN CO[C@H]1CCCC[C@@H]1N[C@H](C)c1csc(C(C)C)n1 ZINC000442807120 330784920 /nfs/dbraw/zinc/78/49/20/330784920.db2.gz DBZCCVDTJKJDMR-DYEKYZERSA-N 0 1 282.453 3.875 20 0 CHADMN C[C@H](NCc1ccc(-c2cccs2)cc1)c1cn[nH]c1 ZINC000444678331 330818705 /nfs/dbraw/zinc/81/87/05/330818705.db2.gz WERNODMWBVAUKS-LBPRGKRZSA-N 0 1 283.400 3.989 20 0 CHADMN Cc1cccc(C)c1[C@H](C)N[C@H](C)c1nccnc1C ZINC000446883928 330857096 /nfs/dbraw/zinc/85/70/96/330857096.db2.gz MQIDQIHZHJERBW-DZGCQCFKSA-N 0 1 269.392 3.814 20 0 CHADMN CC(C)CC(C)(C)CNC(=O)c1sccc1CN(C)C ZINC000446906409 330857531 /nfs/dbraw/zinc/85/75/31/330857531.db2.gz YUYSNXJOSFYTOZ-UHFFFAOYSA-N 0 1 296.480 3.612 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@@H]1CCCc2occc21 ZINC000447581133 330871092 /nfs/dbraw/zinc/87/10/92/330871092.db2.gz SCIHCIDTUNOMMO-MLGOLLRUSA-N 0 1 270.376 3.965 20 0 CHADMN CC(C)c1nnc(CNC[C@@H](C)c2ccccc2)s1 ZINC000447811193 330877470 /nfs/dbraw/zinc/87/74/70/330877470.db2.gz MSXBUZMJQNDVAV-GFCCVEGCSA-N 0 1 275.421 3.555 20 0 CHADMN CC(C)(C)c1cnc(CNCCOc2ccccc2)s1 ZINC000447935156 330880527 /nfs/dbraw/zinc/88/05/27/330880527.db2.gz DRPCUJYYGMHBBU-UHFFFAOYSA-N 0 1 290.432 3.609 20 0 CHADMN CC(C)CCOCCNCc1ncc(C(C)(C)C)s1 ZINC000447937546 330880606 /nfs/dbraw/zinc/88/06/06/330880606.db2.gz BLOGZOQAWIBLCH-UHFFFAOYSA-N 0 1 284.469 3.593 20 0 CHADMN c1ncn2ccc(-c3noc(CCCC4CCCC4)n3)cc12 ZINC000447956345 330881364 /nfs/dbraw/zinc/88/13/64/330881364.db2.gz UPKTVVSKKXTIRV-UHFFFAOYSA-N 0 1 296.374 3.897 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cc2cccnc2o1 ZINC000449068329 330896788 /nfs/dbraw/zinc/89/67/88/330896788.db2.gz SBJWSBNKNIXZOP-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN CCC(CC)[C@H](NCc1nccnc1OC)c1ccccc1 ZINC000449086438 330898236 /nfs/dbraw/zinc/89/82/36/330898236.db2.gz RRFSJDNFQXRPAE-KRWDZBQOSA-N 0 1 299.418 3.752 20 0 CHADMN CC(C)[C@@H](O)CCNCc1cc(Cl)sc1Cl ZINC000449158590 330902319 /nfs/dbraw/zinc/90/23/19/330902319.db2.gz ZCYVGBFUPGPMIP-VIFPVBQESA-N 0 1 282.236 3.552 20 0 CHADMN COc1cccc(C2(NCc3ccc(C)cc3OC)CC2)c1 ZINC000449182812 330904351 /nfs/dbraw/zinc/90/43/51/330904351.db2.gz BIFGTSSZIMDLPA-UHFFFAOYSA-N 0 1 297.398 3.791 20 0 CHADMN CC[C@H](NCc1noc(-c2ccccc2C)n1)C1CCC1 ZINC000449260842 330910694 /nfs/dbraw/zinc/91/06/94/330910694.db2.gz YTVKETGJEQJBIF-HNNXBMFYSA-N 0 1 285.391 3.713 20 0 CHADMN C[C@@H](CF)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000449327621 330914435 /nfs/dbraw/zinc/91/44/35/330914435.db2.gz BUQCEWXMALTNEL-WRWORJQWSA-N 0 1 290.151 3.523 20 0 CHADMN Cc1cnc(CN[C@@H](C)c2cccc(C3CC3)c2)cn1 ZINC000449348881 330917243 /nfs/dbraw/zinc/91/72/43/330917243.db2.gz HRCAABYWJNPMAX-ZDUSSCGKSA-N 0 1 267.376 3.513 20 0 CHADMN C[C@H](CCc1cccc(C(F)(F)F)c1)NC(CF)CF ZINC000449378858 330920767 /nfs/dbraw/zinc/92/07/67/330920767.db2.gz GCCKORYRBDANMW-SNVBAGLBSA-N 0 1 295.295 3.924 20 0 CHADMN C[C@@H](N[C@@H](C)C1CCC(F)(F)CC1)C(C)(F)F ZINC000449416876 330924060 /nfs/dbraw/zinc/92/40/60/330924060.db2.gz VYGDYVDEQSOJBX-DTWKUNHWSA-N 0 1 255.299 3.834 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cc(F)cc(F)c2)c2ccccc2O1 ZINC000449428531 330924911 /nfs/dbraw/zinc/92/49/11/330924911.db2.gz UYWDTSBEXMLMHT-BDJLRTHQSA-N 0 1 289.325 3.967 20 0 CHADMN CC/C=C\CNCc1csc(-c2ccsc2)n1 ZINC000449462148 330927632 /nfs/dbraw/zinc/92/76/32/330927632.db2.gz UOJRTVUKVFOSGB-ARJAWSKDSA-N 0 1 264.419 3.927 20 0 CHADMN Cc1ccncc1CNCc1cscc1C(F)(F)F ZINC000449520077 330933338 /nfs/dbraw/zinc/93/33/38/330933338.db2.gz DFAAKDDOSPWICP-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN Cc1csc(CNC2(Cc3cccc(Cl)c3)CC2)n1 ZINC000449680178 330943274 /nfs/dbraw/zinc/94/32/74/330943274.db2.gz SORRYKIOJYMSRJ-UHFFFAOYSA-N 0 1 292.835 3.970 20 0 CHADMN COc1cc(CN[C@H](C)c2ccccn2)ccc1Cl ZINC000449690974 330943743 /nfs/dbraw/zinc/94/37/43/330943743.db2.gz STKUMRFIAULUFB-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN Cc1cc(C)c(CNCc2cnc(-c3ccco3)s2)cn1 ZINC000449735427 330946944 /nfs/dbraw/zinc/94/69/44/330946944.db2.gz QQLZMAGYRHNYMM-UHFFFAOYSA-N 0 1 299.399 3.705 20 0 CHADMN CCOC(=O)c1coc(CN[C@H](C)c2cccc(C)c2)c1 ZINC000449771738 330949141 /nfs/dbraw/zinc/94/91/41/330949141.db2.gz FZOYINUTWZKRNT-CYBMUJFWSA-N 0 1 287.359 3.616 20 0 CHADMN CCOC(=O)c1coc(CN[C@@H](C)c2cccc(C)c2)c1 ZINC000449771739 330949145 /nfs/dbraw/zinc/94/91/45/330949145.db2.gz FZOYINUTWZKRNT-ZDUSSCGKSA-N 0 1 287.359 3.616 20 0 CHADMN Clc1cccc([C@@H]2CC[C@H](NCc3cocn3)C2)c1 ZINC000449773685 330949257 /nfs/dbraw/zinc/94/92/57/330949257.db2.gz NJUGSLRESRIAHM-OCCSQVGLSA-N 0 1 276.767 3.754 20 0 CHADMN Cc1ccc(CNCc2ccoc2)cc1Br ZINC000163048166 330976251 /nfs/dbraw/zinc/97/62/51/330976251.db2.gz ZKOIFZLPJDCRMO-UHFFFAOYSA-N 0 1 280.165 3.640 20 0 CHADMN Cc1cccc(CN[C@H](c2ncccc2C)C(C)C)n1 ZINC000450571361 330987291 /nfs/dbraw/zinc/98/72/91/330987291.db2.gz QLALFRFEYHUBOU-INIZCTEOSA-N 0 1 269.392 3.580 20 0 CHADMN CCCC[C@@H](N[C@@H](C)c1csnn1)C1CCC1 ZINC000450729904 330996573 /nfs/dbraw/zinc/99/65/73/330996573.db2.gz USFSXXSGVHBZKT-CMPLNLGQSA-N 0 1 253.415 3.548 20 0 CHADMN COc1cc(CN2CCSC[C@@H](C)C2)ccc1Cl ZINC000450840888 331002164 /nfs/dbraw/zinc/00/21/64/331002164.db2.gz GQFWDOQIVZTPOL-NSHDSACASA-N 0 1 285.840 3.534 20 0 CHADMN CN(Cc1cc(Cl)ccc1F)CC1CCC(=O)CC1 ZINC000450852958 331002908 /nfs/dbraw/zinc/00/29/08/331002908.db2.gz AVARYEDELXKJMR-UHFFFAOYSA-N 0 1 283.774 3.670 20 0 CHADMN COc1cc(CN2CCC=C(C)C2)ccc1Cl ZINC000450908902 331006431 /nfs/dbraw/zinc/00/64/31/331006431.db2.gz IDFMJNUEVFGEJA-UHFFFAOYSA-N 0 1 251.757 3.501 20 0 CHADMN Cc1ccc2[nH]c([C@H]3CCCN3CC[C@H](C)F)nc2c1 ZINC000451015448 331011905 /nfs/dbraw/zinc/01/19/05/331011905.db2.gz KXSYUONADHDFOS-SWLSCSKDSA-N 0 1 275.371 3.756 20 0 CHADMN Cc1cccc(CNC(C)(C)c2ccccc2C)n1 ZINC000451069562 331014719 /nfs/dbraw/zinc/01/47/19/331014719.db2.gz FUCIKRHXCHPXQL-UHFFFAOYSA-N 0 1 254.377 3.723 20 0 CHADMN Cc1ccc2c(CN3CCC[C@](C)(F)C3)ccc(O)c2n1 ZINC000451116689 331016280 /nfs/dbraw/zinc/01/62/80/331016280.db2.gz SLKUOMWPTBZMAB-KRWDZBQOSA-N 0 1 288.366 3.573 20 0 CHADMN C[C@]1(F)CCCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC000451115959 331016305 /nfs/dbraw/zinc/01/63/05/331016305.db2.gz QCTCFUXNPPDLJM-CABCVRRESA-N 0 1 251.320 3.637 20 0 CHADMN Cc1nc(CN2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)oc1C ZINC000451146036 331017392 /nfs/dbraw/zinc/01/73/92/331017392.db2.gz LLVHYMMRIZYHNF-XRNSZHNASA-N 0 1 290.329 3.843 20 0 CHADMN CCC1(NCc2nc(CCc3ccccc3)no2)CCCC1 ZINC000451272920 331022756 /nfs/dbraw/zinc/02/27/56/331022756.db2.gz HMWBACBOBVHKTF-UHFFFAOYSA-N 0 1 299.418 3.667 20 0 CHADMN FCC1CCN(CCOc2ccc(F)cc2Cl)CC1 ZINC000451390805 331027133 /nfs/dbraw/zinc/02/71/33/331027133.db2.gz DPLOIFCBIHHVNF-UHFFFAOYSA-N 0 1 289.753 3.539 20 0 CHADMN CCCc1nc(CN[C@@H]2C[C@@H](OCC)C23CCC3)cs1 ZINC000451471168 331030747 /nfs/dbraw/zinc/03/07/47/331030747.db2.gz HMYBDQRCDSTMTI-ZIAGYGMSSA-N 0 1 294.464 3.533 20 0 CHADMN CCO[C@H]1CCN(Cc2cc(OC)ccc2Cl)C[C@@H]1C ZINC000451548266 331033838 /nfs/dbraw/zinc/03/38/38/331033838.db2.gz UZERAFKQUPHORJ-LRDDRELGSA-N 0 1 297.826 3.596 20 0 CHADMN COc1cc(Cl)ccc1CN1CC[C@@H](OC)C(C)(C)C1 ZINC000451555244 331034233 /nfs/dbraw/zinc/03/42/33/331034233.db2.gz HVLLNVDAQDWSKO-OAHLLOKOSA-N 0 1 297.826 3.596 20 0 CHADMN CC(C)C[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000451741389 331040827 /nfs/dbraw/zinc/04/08/27/331040827.db2.gz CCUNKSQOXUSREF-RKDXNWHRSA-N 0 1 285.746 3.805 20 0 CHADMN c1coc([C@@H]2N(CCc3cscn3)CC23CCC3)c1 ZINC000451835728 331044181 /nfs/dbraw/zinc/04/41/81/331044181.db2.gz ABOVVIPNZTWLFJ-AWEZNQCLSA-N 0 1 274.389 3.506 20 0 CHADMN CC[C@@H]1CC[C@H](C)N(Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000451957523 331048317 /nfs/dbraw/zinc/04/83/17/331048317.db2.gz VCZMKVXNNAMPDS-QWHCGFSZSA-N 0 1 288.439 3.501 20 0 CHADMN C[C@@H]1CCC(C)(C)N1Cc1ncc(C(C)(C)C)o1 ZINC000452005520 331050054 /nfs/dbraw/zinc/05/00/54/331050054.db2.gz JYOLPXUAMBPCBK-LLVKDONJSA-N 0 1 250.386 3.735 20 0 CHADMN CC(C)N(Cc1nncn1-c1ccccc1)C1CC(C)(C)C1 ZINC000452112389 331054651 /nfs/dbraw/zinc/05/46/51/331054651.db2.gz XLLCPQMVTTUJOQ-UHFFFAOYSA-N 0 1 298.434 3.666 20 0 CHADMN CC[C@@H](CC(F)(F)F)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000452120447 331054908 /nfs/dbraw/zinc/05/49/08/331054908.db2.gz MCOUBWYGUSZPRZ-VIFPVBQESA-N 0 1 299.296 3.788 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194837318 331063320 /nfs/dbraw/zinc/06/33/20/331063320.db2.gz XHPBAUQPRZOLIA-UHFFFAOYSA-N 0 1 282.347 3.575 20 0 CHADMN COCc1cc(CN[C@H](C)c2cccc(O)c2)ccc1F ZINC000194896003 331072076 /nfs/dbraw/zinc/07/20/76/331072076.db2.gz CJQDYNIWRDUIKC-GFCCVEGCSA-N 0 1 289.350 3.529 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@H]1c2ccccc2C[C@@H]1O ZINC000194911308 331074446 /nfs/dbraw/zinc/07/44/46/331074446.db2.gz YCEZFWRONDIXJL-IWEFOYFVSA-N 0 1 299.439 3.717 20 0 CHADMN CCOc1ncccc1CN[C@@H](CC)c1ccsc1 ZINC000453098999 331089028 /nfs/dbraw/zinc/08/90/28/331089028.db2.gz XOAIOFQJRUJXIV-AWEZNQCLSA-N 0 1 276.405 3.783 20 0 CHADMN C[C@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccncn1 ZINC000453101813 331089180 /nfs/dbraw/zinc/08/91/80/331089180.db2.gz YURHAXYHDKFVJK-MEDUHNTESA-N 0 1 287.794 3.932 20 0 CHADMN COc1ncccc1CN[C@@H]1CC[C@@H](C)c2ccsc21 ZINC000453101874 331089185 /nfs/dbraw/zinc/08/91/85/331089185.db2.gz ZLADJIUEPVDQTO-BXUZGUMPSA-N 0 1 288.416 3.880 20 0 CHADMN Fc1cccc([C@@H](N[C@H]2CCn3ccnc32)C2CCCC2)c1 ZINC000453137697 331093152 /nfs/dbraw/zinc/09/31/52/331093152.db2.gz LAOIIVCVAXIDES-IRXDYDNUSA-N 0 1 299.393 3.988 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccc(F)cc1)c1ccsc1 ZINC000453147994 331094222 /nfs/dbraw/zinc/09/42/22/331094222.db2.gz QEZVXALGEQRUOQ-HUUCEWRRSA-N 0 1 279.380 3.662 20 0 CHADMN CC[C@H](N[C@@H](CO)c1ccc(F)cc1)c1ccsc1 ZINC000453147993 331094307 /nfs/dbraw/zinc/09/43/07/331094307.db2.gz QEZVXALGEQRUOQ-GJZGRUSLSA-N 0 1 279.380 3.662 20 0 CHADMN CC[C@@H](NCc1cccc(OC(C)(C)C)n1)c1ccncc1 ZINC000453159741 331095411 /nfs/dbraw/zinc/09/54/11/331095411.db2.gz FTXVBKYPMHHEOJ-MRXNPFEDSA-N 0 1 299.418 3.895 20 0 CHADMN CC[C@H](N[C@H]1COc2c1ccc(C)c2C)c1ccncc1 ZINC000453160486 331095576 /nfs/dbraw/zinc/09/55/76/331095576.db2.gz OUMKAACTEXBJMX-IRXDYDNUSA-N 0 1 282.387 3.873 20 0 CHADMN Cc1cc([C@H](N[C@@H](C)c2ccncn2)C2CC2)ccc1F ZINC000453178338 331097632 /nfs/dbraw/zinc/09/76/32/331097632.db2.gz OCKNXZBKHQANAE-YVEFUNNKSA-N 0 1 285.366 3.726 20 0 CHADMN CC[C@@H](NCc1ccc(OC(C)(C)C)nc1)c1ccncc1 ZINC000453199040 331100452 /nfs/dbraw/zinc/10/04/52/331100452.db2.gz RCYFAYGLWUOVKH-MRXNPFEDSA-N 0 1 299.418 3.895 20 0 CHADMN Cc1cccc(C)c1[C@@H](C)N[C@H](C)c1ccncn1 ZINC000453199408 331100597 /nfs/dbraw/zinc/10/05/97/331100597.db2.gz PSDVKHYFQFDQBF-ZIAGYGMSSA-N 0 1 255.365 3.505 20 0 CHADMN Cc1cccc(C)c1[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000453205435 331101247 /nfs/dbraw/zinc/10/12/47/331101247.db2.gz XBCIFGWRVHFANK-QLFBSQMISA-N 0 1 269.392 3.857 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2c(F)cccc21)c1nccn1C ZINC000453241771 331106210 /nfs/dbraw/zinc/10/62/10/331106210.db2.gz WDTWLJIKEBFCFX-JKSUJKDBSA-N 0 1 287.382 3.678 20 0 CHADMN CCC[C@H](CN[C@@H](C)c1csc(C(C)C)n1)OC ZINC000453252856 331107822 /nfs/dbraw/zinc/10/78/22/331107822.db2.gz OLRDOFIBIPRUIM-NWDGAFQWSA-N 0 1 270.442 3.732 20 0 CHADMN c1nc(C2CC2)oc1CN[C@H](c1ccccc1)C1CC1 ZINC000453338670 331118838 /nfs/dbraw/zinc/11/88/38/331118838.db2.gz CFLQHKFRSUCXSA-MRXNPFEDSA-N 0 1 268.360 3.793 20 0 CHADMN Fc1ccc2c(c1)CCC[C@H]2NCc1cnc(C2CC2)o1 ZINC000453347926 331120182 /nfs/dbraw/zinc/12/01/82/331120182.db2.gz IWFHTWVYCVFJCF-MRXNPFEDSA-N 0 1 286.350 3.858 20 0 CHADMN CC[C@@H](NCc1cnc(C2CC2)o1)c1ccc(OC)cc1 ZINC000453357765 331122082 /nfs/dbraw/zinc/12/20/82/331122082.db2.gz NTWBKMACAXTYJO-MRXNPFEDSA-N 0 1 286.375 3.802 20 0 CHADMN CC[C@@H](NCc1cnc(C2CC2)o1)c1cccc(OC)c1 ZINC000453359745 331122255 /nfs/dbraw/zinc/12/22/55/331122255.db2.gz PETPQNDBGNRJCO-MRXNPFEDSA-N 0 1 286.375 3.802 20 0 CHADMN C[C@H](NC1(Cc2ccc(F)cc2)CC1)c1nccs1 ZINC000453363515 331122821 /nfs/dbraw/zinc/12/28/21/331122821.db2.gz RPFCCRGBUGNGHR-NSHDSACASA-N 0 1 276.380 3.708 20 0 CHADMN CCc1ncc(CN[C@@H]2C[C@@H](C)c3ccccc32)o1 ZINC000453368721 331123734 /nfs/dbraw/zinc/12/37/34/331123734.db2.gz HTDPVNVVNPIJBV-IAQYHMDHSA-N 0 1 256.349 3.575 20 0 CHADMN CCCc1ncc(CN[C@@H]2CCCc3ccccc32)o1 ZINC000453372542 331124332 /nfs/dbraw/zinc/12/43/32/331124332.db2.gz IUTKAEHKAVFCJK-MRXNPFEDSA-N 0 1 270.376 3.794 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cnc(C3CC3)o1)CC2 ZINC000453377477 331125107 /nfs/dbraw/zinc/12/51/07/331125107.db2.gz XPUMWZOVPSCGSM-INIZCTEOSA-N 0 1 268.360 3.638 20 0 CHADMN Cc1cccc2c1CC[C@@H]2NCc1cnc(C2CC2)o1 ZINC000453380910 331125636 /nfs/dbraw/zinc/12/56/36/331125636.db2.gz ZQLVCGPEOWRPCC-INIZCTEOSA-N 0 1 268.360 3.638 20 0 CHADMN COc1cccnc1CN[C@H]1CC[C@@H](C)c2ccccc21 ZINC000453380609 331125741 /nfs/dbraw/zinc/12/57/41/331125741.db2.gz XQJCDXYOAGDSPF-CJNGLKHVSA-N 0 1 282.387 3.818 20 0 CHADMN COc1cccnc1CN[C@@H](C)c1cc(C)c(C)cc1C ZINC000453382752 331126025 /nfs/dbraw/zinc/12/60/25/331126025.db2.gz ZNYVWHKKXKCEQV-HNNXBMFYSA-N 0 1 284.403 3.866 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2cccc(C3CC3)c2)o1 ZINC000453387321 331126780 /nfs/dbraw/zinc/12/67/80/331126780.db2.gz OSIILCRDMSARSO-LBPRGKRZSA-N 0 1 270.376 3.965 20 0 CHADMN CCCc1ncc(CN[C@@H]2CCc3ccc(C)cc32)o1 ZINC000453394055 331127666 /nfs/dbraw/zinc/12/76/66/331127666.db2.gz RWWOYIFBOCWCSZ-MRXNPFEDSA-N 0 1 270.376 3.713 20 0 CHADMN CCC(C)(C)OCCN[C@H](C)c1ccc(Cl)cn1 ZINC000453409412 331129777 /nfs/dbraw/zinc/12/97/77/331129777.db2.gz ONSGZAYLSLXPMS-LLVKDONJSA-N 0 1 270.804 3.591 20 0 CHADMN CC1(C)C[C@@H](CN[C@@H](Cc2ccccc2)C(F)F)CCO1 ZINC000453429907 331131159 /nfs/dbraw/zinc/13/11/59/331131159.db2.gz QPKYAJLMQDBUOB-GJZGRUSLSA-N 0 1 297.389 3.658 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)c1c(O)cccc1F ZINC000163838641 331133731 /nfs/dbraw/zinc/13/37/31/331133731.db2.gz HLDZGIJJIBGDQR-SNVBAGLBSA-N 0 1 291.297 3.504 20 0 CHADMN Cc1ccc(CN2Cc3sccc3CC2(C)C)nc1 ZINC000453628785 331137331 /nfs/dbraw/zinc/13/73/31/331137331.db2.gz WTMHQTSKUHVHRF-UHFFFAOYSA-N 0 1 272.417 3.788 20 0 CHADMN C[C@H]1CC=C(C(=O)Nc2cccc(Cl)c2O)CC1 ZINC000455990341 331182005 /nfs/dbraw/zinc/18/20/05/331182005.db2.gz DEUYAVXWDCVVKZ-VIFPVBQESA-N 0 1 265.740 3.731 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)C1(C2CCC2)CCC1 ZINC000456000275 331182094 /nfs/dbraw/zinc/18/20/94/331182094.db2.gz LIANMNLPGIDLME-UHFFFAOYSA-N 0 1 279.767 3.955 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C(C)C)C2CC(C)(C)C2)c1 ZINC000457070385 331211390 /nfs/dbraw/zinc/21/13/90/331211390.db2.gz IPZHSKIFLPLWLE-UHFFFAOYSA-N 0 1 299.418 3.911 20 0 CHADMN CCCCS[C@@H](C)C(=O)Nc1ccc(F)c(F)c1O ZINC000457286339 331218058 /nfs/dbraw/zinc/21/80/58/331218058.db2.gz FGBFWHCUKAISLM-QMMMGPOBSA-N 0 1 289.347 3.531 20 0 CHADMN O=C(Nc1ccc(F)c(F)c1O)C1(C2CCC2)CCC1 ZINC000457301888 331218533 /nfs/dbraw/zinc/21/85/33/331218533.db2.gz WVPZKAJVOPHANS-UHFFFAOYSA-N 0 1 281.302 3.579 20 0 CHADMN Fc1ccc([C@@H]2CCCN2CCn2cc(Cl)cn2)cc1 ZINC000459290023 331274680 /nfs/dbraw/zinc/27/46/80/331274680.db2.gz LERUCUWDZPDYAQ-HNNXBMFYSA-N 0 1 293.773 3.513 20 0 CHADMN CC(C)[N@H+](Cc1cccc(F)c1)Cc1cnc(C2CC2)nc1 ZINC000459312244 331275826 /nfs/dbraw/zinc/27/58/26/331275826.db2.gz YKLGJWICBCBNHC-UHFFFAOYSA-N 0 1 299.393 3.904 20 0 CHADMN CC(C)N(Cc1cccc(F)c1)Cc1cnc(C2CC2)nc1 ZINC000459312244 331275827 /nfs/dbraw/zinc/27/58/27/331275827.db2.gz YKLGJWICBCBNHC-UHFFFAOYSA-N 0 1 299.393 3.904 20 0 CHADMN C[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)[C@@H](c2ccco2)C1 ZINC000459350519 331277602 /nfs/dbraw/zinc/27/76/02/331277602.db2.gz FTWKKBDTVQQEHR-GXTWGEPZSA-N 0 1 293.798 3.603 20 0 CHADMN C[C@H]1CCN(CCn2cc(Cl)cn2)[C@@H](c2ccco2)C1 ZINC000459350519 331277603 /nfs/dbraw/zinc/27/76/03/331277603.db2.gz FTWKKBDTVQQEHR-GXTWGEPZSA-N 0 1 293.798 3.603 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1cccc(O)c1Br ZINC000459359461 331278121 /nfs/dbraw/zinc/27/81/21/331278121.db2.gz QQRUIBOAOGZJLO-UWVGGRQHSA-N 0 1 284.197 3.528 20 0 CHADMN Cn1ccc([C@H](NC2CC3(CCC3)C2)c2ccc(F)cc2)n1 ZINC000459461905 331282698 /nfs/dbraw/zinc/28/26/98/331282698.db2.gz KRZFDTYAEJUVAT-QGZVFWFLSA-N 0 1 299.393 3.571 20 0 CHADMN CCC[C@@H]1CCCC[N@H+]1Cc1cnc(C2CC2)nc1 ZINC000459472241 331283493 /nfs/dbraw/zinc/28/34/93/331283493.db2.gz APYCVASDJNKWJG-OAHLLOKOSA-N 0 1 259.397 3.509 20 0 CHADMN COc1cnccc1[C@H](C)NCc1ccc(C2CC2)cc1 ZINC000459517935 331285784 /nfs/dbraw/zinc/28/57/84/331285784.db2.gz VZINLXWFLUGJNY-ZDUSSCGKSA-N 0 1 282.387 3.818 20 0 CHADMN CC[C@H](C)c1nnc([C@@H](C)NC2CC(C(C)(C)C)C2)[nH]1 ZINC000459530725 331286182 /nfs/dbraw/zinc/28/61/82/331286182.db2.gz SPCKBNYCPVOPJS-ZFDZMSFRSA-N 0 1 278.444 3.794 20 0 CHADMN COc1ccc(-c2ccccc2C)cc1CNCCF ZINC000459543659 331286839 /nfs/dbraw/zinc/28/68/39/331286839.db2.gz PQEVHLIMCDKPEA-UHFFFAOYSA-N 0 1 273.351 3.730 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc(C3CC3)nc2)cc1C ZINC000459564065 331288053 /nfs/dbraw/zinc/28/80/53/331288053.db2.gz QXJFLSHUKNDDIE-UHFFFAOYSA-N 0 1 281.403 3.603 20 0 CHADMN Cc1noc(C2CN(Cc3ccc(C4CCCC4)cc3)C2)n1 ZINC000459602480 331290139 /nfs/dbraw/zinc/29/01/39/331290139.db2.gz DXVAGWMQERDVJF-UHFFFAOYSA-N 0 1 297.402 3.635 20 0 CHADMN CCOc1cc(CN2CC3(C2)CCCCC3)ccc1O ZINC000459600543 331290263 /nfs/dbraw/zinc/29/02/63/331290263.db2.gz UKQPBYIWOBBTQQ-UHFFFAOYSA-N 0 1 275.392 3.557 20 0 CHADMN CCCCOc1ccc(CN2CC(C)(CCOC)C2)cc1 ZINC000459630134 331291167 /nfs/dbraw/zinc/29/11/67/331291167.db2.gz IGQGVFKZRKWZPW-UHFFFAOYSA-N 0 1 291.435 3.724 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cccc2nccn21 ZINC000459646384 331291960 /nfs/dbraw/zinc/29/19/60/331291960.db2.gz BVSVLQXAESPAFW-AWEZNQCLSA-N 0 1 295.386 3.502 20 0 CHADMN COc1ccsc1CN[C@H](C)c1cc(C)ccc1OC ZINC000459653599 331292263 /nfs/dbraw/zinc/29/22/63/331292263.db2.gz XZZDBFZTKSMCKB-GFCCVEGCSA-N 0 1 291.416 3.925 20 0 CHADMN CCC1(c2ccccc2)CN(Cc2ccc(OC)c(O)c2)C1 ZINC000459736988 331296958 /nfs/dbraw/zinc/29/69/58/331296958.db2.gz AFCWMRZCHOHAQD-UHFFFAOYSA-N 0 1 297.398 3.564 20 0 CHADMN Cc1csc(CN[C@H]2C[C@H](OC(C)(C)C)C2(C)C)n1 ZINC000459755116 331298633 /nfs/dbraw/zinc/29/86/33/331298633.db2.gz NPFXODQUFFHRLK-RYUDHWBXSA-N 0 1 282.453 3.523 20 0 CHADMN O[C@@H]1CCN(Cc2ccc(Cl)s2)C[C@H]1C1CCCC1 ZINC000459766601 331299453 /nfs/dbraw/zinc/29/94/53/331299453.db2.gz OZYGGMZCQRMDMQ-UONOGXRCSA-N 0 1 299.867 3.775 20 0 CHADMN C[C@@H](Cc1cccc(F)c1)N(C)Cc1ncc(C2CC2)o1 ZINC000459770807 331299892 /nfs/dbraw/zinc/29/98/92/331299892.db2.gz SJTKNYFQKHVKNG-LBPRGKRZSA-N 0 1 288.366 3.754 20 0 CHADMN CCCCc1nc(CN[C@@H]2C[C@H](OC)C23CCC3)cs1 ZINC000459777556 331300378 /nfs/dbraw/zinc/30/03/78/331300378.db2.gz WDOLRKKEFKZUQR-KGLIPLIRSA-N 0 1 294.464 3.533 20 0 CHADMN CCCCc1nc(CN[C@H]2C[C@@H](OC)C23CCC3)cs1 ZINC000459777557 331300406 /nfs/dbraw/zinc/30/04/06/331300406.db2.gz WDOLRKKEFKZUQR-UONOGXRCSA-N 0 1 294.464 3.533 20 0 CHADMN Cc1ccc(C)c2c1CCC[C@H]2N[C@@H](C)c1ccn(C)n1 ZINC000459785800 331300972 /nfs/dbraw/zinc/30/09/72/331300972.db2.gz KIQMXLMRRKJUDL-WMLDXEAASA-N 0 1 283.419 3.765 20 0 CHADMN Cc1noc(C)c1CCN(C)[C@@H](C)c1ccccc1F ZINC000164874962 331305305 /nfs/dbraw/zinc/30/53/05/331305305.db2.gz AMCXIPJMQSHOPI-LBPRGKRZSA-N 0 1 276.355 3.666 20 0 CHADMN Cc1occc1-c1noc(-c2ccc(Cl)cc2O)n1 ZINC000165729293 331306394 /nfs/dbraw/zinc/30/63/94/331306394.db2.gz OWJKPPIWRWVWBP-UHFFFAOYSA-N 0 1 276.679 3.664 20 0 CHADMN CCc1ccc(CNc2cc3c(cn2)CCCC3)o1 ZINC000461221723 331311986 /nfs/dbraw/zinc/31/19/86/331311986.db2.gz SJBMCISLPQGJNP-UHFFFAOYSA-N 0 1 256.349 3.728 20 0 CHADMN CCC[C@@H](CC)N=c1nc(-c2ccccc2)[nH]s1 ZINC000462386171 331321195 /nfs/dbraw/zinc/32/11/95/331321195.db2.gz CHFGMWUVYQWPDW-GFCCVEGCSA-N 0 1 261.394 3.618 20 0 CHADMN CCc1noc([C@H](C)N2CC[C@H](C)C3(CCCCC3)C2)n1 ZINC000462446462 331322198 /nfs/dbraw/zinc/32/21/98/331322198.db2.gz JYOCQROUZZSBFB-KBPBESRZSA-N 0 1 291.439 3.985 20 0 CHADMN CC1CCN(CC(=O)Nc2cccc(C3CCC3)c2)CC1 ZINC000462724770 331325631 /nfs/dbraw/zinc/32/56/31/331325631.db2.gz WNBBAJNZYLCTJP-UHFFFAOYSA-N 0 1 286.419 3.625 20 0 CHADMN CCOc1c(Cl)cccc1CN1CCC(C)(OC)CC1 ZINC000463016303 331337128 /nfs/dbraw/zinc/33/71/28/331337128.db2.gz ZCILGOKLGKXXGE-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN CN(Cc1cc(C(C)(C)C)n[nH]1)[C@H]1C[C@H]1c1ccccc1 ZINC000463195383 331341979 /nfs/dbraw/zinc/34/19/79/331341979.db2.gz WXBLLIOWOUBWRU-HOTGVXAUSA-N 0 1 283.419 3.695 20 0 CHADMN CCCc1nc(CN(CC)CC(C)(C)C)cs1 ZINC000463364500 331346782 /nfs/dbraw/zinc/34/67/82/331346782.db2.gz DSONSRSIRYUARC-UHFFFAOYSA-N 0 1 254.443 3.964 20 0 CHADMN CC/C=C/CCSc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000464564569 331362664 /nfs/dbraw/zinc/36/26/64/331362664.db2.gz WEZLFAYBYOMTPW-SNAWJCMRSA-N 0 1 289.404 3.929 20 0 CHADMN CC/C=C\CCSc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000464564568 331362709 /nfs/dbraw/zinc/36/27/09/331362709.db2.gz WEZLFAYBYOMTPW-PLNGDYQASA-N 0 1 289.404 3.929 20 0 CHADMN CC(C)[C@H]1CN(Cc2ccc(Cl)cc2)CCS1 ZINC000464777157 331367680 /nfs/dbraw/zinc/36/76/80/331367680.db2.gz QNNOASFODQDUQW-CQSZACIVSA-N 0 1 269.841 3.913 20 0 CHADMN CC[C@@H]1CN(CCSc2ccccc2F)CCS1 ZINC000464788495 331368315 /nfs/dbraw/zinc/36/83/15/331368315.db2.gz KGBUTZVRGLHRHJ-GFCCVEGCSA-N 0 1 285.453 3.745 20 0 CHADMN CC1(C)CCN(Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000464792433 331368597 /nfs/dbraw/zinc/36/85/97/331368597.db2.gz HFLYZMQJLBNRIT-UHFFFAOYSA-N 0 1 295.430 3.593 20 0 CHADMN c1ccc(CCCN2CCOC[C@H]2c2ccccc2)cc1 ZINC000464833405 331370243 /nfs/dbraw/zinc/37/02/43/331370243.db2.gz QJWBBOJFEPONEE-IBGZPJMESA-N 0 1 281.399 3.693 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2cn3ccsc3n2)C1 ZINC000464846721 331370957 /nfs/dbraw/zinc/37/09/57/331370957.db2.gz SYJJKWIIRIORLF-OAHLLOKOSA-N 0 1 277.437 3.798 20 0 CHADMN CC(C)(C)CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000474444880 331587129 /nfs/dbraw/zinc/58/71/29/331587129.db2.gz JASLGLWKVRVHDB-UHFFFAOYSA-N 0 1 259.708 3.559 20 0 CHADMN Cc1noc([C@H](C)N[C@@H]2CCC[C@@H](CC(C)C)C2)n1 ZINC000475199086 331617609 /nfs/dbraw/zinc/61/76/09/331617609.db2.gz SIDVOHBESZPHTR-FPMFFAJLSA-N 0 1 265.401 3.634 20 0 CHADMN CC[C@H](C)CNc1ccc(CN(C)C)c(Cl)c1 ZINC000475577747 331638477 /nfs/dbraw/zinc/63/84/77/331638477.db2.gz HIUVSRFICCPVKO-NSHDSACASA-N 0 1 254.805 3.860 20 0 CHADMN CO[C@]1(C)C[C@@H](N[C@H](C)c2ncc(C(C)(C)C)o2)C1(C)C ZINC000476531507 331665945 /nfs/dbraw/zinc/66/59/45/331665945.db2.gz HXMSFHJZNHLJQB-PSTGCABASA-N 0 1 294.439 3.826 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1cn3ccc(C)cc3n1)CC2 ZINC000482501264 331835581 /nfs/dbraw/zinc/83/55/81/331835581.db2.gz JBWAOVGCCPRBEW-SFHVURJKSA-N 0 1 291.398 3.728 20 0 CHADMN CCC[C@H](CCc1ccccc1)N[C@@H](C)c1nc(C)no1 ZINC000483360032 331870743 /nfs/dbraw/zinc/87/07/43/331870743.db2.gz VHRQCCRVGXVZPS-XJKSGUPXSA-N 0 1 287.407 3.830 20 0 CHADMN CC(C)n1ccc(CN[C@]2(C)CCCc3ccccc32)n1 ZINC000483850891 331886537 /nfs/dbraw/zinc/88/65/37/331886537.db2.gz XZCBOTIRBPVBPW-GOSISDBHSA-N 0 1 283.419 3.805 20 0 CHADMN CCOc1c(Cl)cccc1CNC1CC(F)(F)C1 ZINC000487172933 331958187 /nfs/dbraw/zinc/95/81/87/331958187.db2.gz UAAJKCMPNUCSRR-UHFFFAOYSA-N 0 1 275.726 3.626 20 0 CHADMN CC[C@@H](NC/C=C/c1ccncc1)c1nc(C)cs1 ZINC000487301521 331964450 /nfs/dbraw/zinc/96/44/50/331964450.db2.gz HZCUYIYPEZNTMX-ISZGNANSSA-N 0 1 273.405 3.601 20 0 CHADMN Fc1cc(C2CC2)ccc1CNc1ncnc2ccsc21 ZINC000488500683 332014153 /nfs/dbraw/zinc/01/41/53/332014153.db2.gz DSXPVXGSLAYYDK-UHFFFAOYSA-N 0 1 299.374 3.742 20 0 CHADMN COc1cc2c(cc1F)nccc2NCc1occc1C ZINC000488680529 332021438 /nfs/dbraw/zinc/02/14/38/332021438.db2.gz ZIKOCYKSMYWMRL-UHFFFAOYSA-N 0 1 286.306 3.896 20 0 CHADMN CC[C@H](C(=O)Nc1nc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000488891757 332032305 /nfs/dbraw/zinc/03/23/05/332032305.db2.gz PHDBOXSPKICBCZ-ZDUSSCGKSA-N 0 1 297.333 3.834 20 0 CHADMN CC(C)(C(=O)Nc1nc2ccc(F)cc2[nH]1)C1CCCC1 ZINC000488956054 332035243 /nfs/dbraw/zinc/03/52/43/332035243.db2.gz YYHRUBMHIFVWOJ-UHFFFAOYSA-N 0 1 289.354 3.857 20 0 CHADMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1ccc(Cl)cc1 ZINC000488957610 332035407 /nfs/dbraw/zinc/03/54/07/332035407.db2.gz SSYWOWSRBWUPOS-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN CCC[C@H](C(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1)C(C)C ZINC000489192286 332043158 /nfs/dbraw/zinc/04/31/58/332043158.db2.gz OMEVHVNXTKFWIY-AGIUHOORSA-N 0 1 294.443 3.568 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCCC(C)(C)C)n[nH]1 ZINC000489277200 332044893 /nfs/dbraw/zinc/04/48/93/332044893.db2.gz IQPYURKZHXBSIU-NEPJUHHUSA-N 0 1 294.443 3.712 20 0 CHADMN CCCCC[C@@H]1CCCN1C(=O)c1[nH]nc2ccccc21 ZINC000489348894 332048068 /nfs/dbraw/zinc/04/80/68/332048068.db2.gz GFGWIOZWPGMBAH-CYBMUJFWSA-N 0 1 285.391 3.748 20 0 CHADMN CC[C@H]1CCCN(Cc2nc3c(cccc3F)n2CC)C1 ZINC000489661688 332063652 /nfs/dbraw/zinc/06/36/52/332063652.db2.gz YNQLMRREDRWWDB-ZDUSSCGKSA-N 0 1 289.398 3.817 20 0 CHADMN CCCc1noc(CN2C[C@H](c3ccc(C)cc3)C[C@H]2C)n1 ZINC000490046766 332078352 /nfs/dbraw/zinc/07/83/52/332078352.db2.gz PWFDXNKDEXXORJ-GDBMZVCRSA-N 0 1 299.418 3.709 20 0 CHADMN CC(C)(C)CC(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000490369247 332087578 /nfs/dbraw/zinc/08/75/78/332087578.db2.gz NPJNPVBLNTVIEO-UHFFFAOYSA-N 0 1 299.296 3.956 20 0 CHADMN CCCCc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000490409559 332088879 /nfs/dbraw/zinc/08/88/79/332088879.db2.gz AJZDPEIBRMFVJK-QGZVFWFLSA-N 0 1 286.419 3.595 20 0 CHADMN CCCCc1ccc(NC(=O)[C@H]2CCCN2C2CC2)cc1 ZINC000490409559 332088880 /nfs/dbraw/zinc/08/88/80/332088880.db2.gz AJZDPEIBRMFVJK-QGZVFWFLSA-N 0 1 286.419 3.595 20 0 CHADMN COc1c(O)cccc1CN(C)[C@H](C)c1ccccc1C ZINC000491087607 332147537 /nfs/dbraw/zinc/14/75/37/332147537.db2.gz JVGSJPXFYSGYCH-CQSZACIVSA-N 0 1 285.387 3.902 20 0 CHADMN CCCCc1nc(CN2CC[C@@H](C3CC3)C2)cs1 ZINC000491107975 332150592 /nfs/dbraw/zinc/15/05/92/332150592.db2.gz FRUQICMEMZXWFC-CYBMUJFWSA-N 0 1 264.438 3.718 20 0 CHADMN C[C@H](c1ccccc1F)[N@@H+](C)C[C@H]1CCO[C@H](C)C1 ZINC000491169768 332160734 /nfs/dbraw/zinc/16/07/34/332160734.db2.gz XKKPSIMNVSHLII-MCIONIFRSA-N 0 1 265.372 3.634 20 0 CHADMN COc1c(O)cccc1CN(C)[C@@H](C)c1ccc(C)cc1 ZINC000491205423 332165525 /nfs/dbraw/zinc/16/55/25/332165525.db2.gz ODONMUWIFGEZAI-AWEZNQCLSA-N 0 1 285.387 3.902 20 0 CHADMN CC[C@H](NCc1ccc(F)c(C)c1)c1ccc(F)cn1 ZINC000491303901 332185491 /nfs/dbraw/zinc/18/54/91/332185491.db2.gz IBZXNUONWCAKHT-HNNXBMFYSA-N 0 1 276.330 3.909 20 0 CHADMN Cc1ccoc1CNC/C=C/c1ccc(F)cc1F ZINC000491433728 332210802 /nfs/dbraw/zinc/21/08/02/332210802.db2.gz QOZMRBYXLPMZKB-NSCUHMNNSA-N 0 1 263.287 3.669 20 0 CHADMN Cc1nc2c(n1C[C@@H]1C[C@H]1c1ccccc1)CCCC2 ZINC000575330855 335095142 /nfs/dbraw/zinc/09/51/42/335095142.db2.gz GZHPNRCMSNUUAS-HOTGVXAUSA-N 0 1 266.388 3.874 20 0 CHADMN Cc1ccc(C(=O)Nc2cccc(Cl)c2O)c(C)c1 ZINC000172111288 335095279 /nfs/dbraw/zinc/09/52/79/335095279.db2.gz BOSSARRGPGLLTI-UHFFFAOYSA-N 0 1 275.735 3.915 20 0 CHADMN CC(C)(NCc1ccc2c[nH]nc2c1)c1ccccc1F ZINC000492000813 332378747 /nfs/dbraw/zinc/37/87/47/332378747.db2.gz PICQNIWRPIKPBW-UHFFFAOYSA-N 0 1 283.350 3.727 20 0 CHADMN CCSc1cccc(CNCc2cncc(F)c2)c1 ZINC000492177536 332386021 /nfs/dbraw/zinc/38/60/21/332386021.db2.gz ZFXHWLOCXOILMX-UHFFFAOYSA-N 0 1 276.380 3.623 20 0 CHADMN Cc1nccc(NCc2cc(-c3ccccc3)on2)c1Cl ZINC000492236834 332388534 /nfs/dbraw/zinc/38/85/34/332388534.db2.gz MJCRVNBCRJBGIX-UHFFFAOYSA-N 0 1 299.761 3.732 20 0 CHADMN O=C(/C=C\C1CCC1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000492246950 332388882 /nfs/dbraw/zinc/38/88/82/332388882.db2.gz HGICXLGAVXMTDB-DAXSKMNVSA-N 0 1 291.301 3.795 20 0 CHADMN CO[C@H]1CCCN(Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000492402792 332395862 /nfs/dbraw/zinc/39/58/62/332395862.db2.gz YQTGNXDVIFZLAF-AWEZNQCLSA-N 0 1 297.826 3.738 20 0 CHADMN CCc1nnc([C@H](C)N[C@@H]2CCC[C@@H]2Cc2ccccc2)o1 ZINC000493540878 332444253 /nfs/dbraw/zinc/44/42/53/332444253.db2.gz CHWIEIHCDAVPEK-NUEKZKHPSA-N 0 1 299.418 3.694 20 0 CHADMN CCCc1noc(CN[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1 ZINC000495380322 332516393 /nfs/dbraw/zinc/51/63/93/332516393.db2.gz PEFZDYFYYLNKTR-BFHYXJOUSA-N 0 1 279.428 3.573 20 0 CHADMN CCCCC1CCC(C(=O)N2CCN(C(C)C)CC2)CC1 ZINC000496108885 332539023 /nfs/dbraw/zinc/53/90/23/332539023.db2.gz WTISPNYZVUXSOM-UHFFFAOYSA-N 0 1 294.483 3.536 20 0 CHADMN CC(C)[C@@H](NCC(=O)NC(C)(C)C)c1ccccc1Cl ZINC000091282050 334375331 /nfs/dbraw/zinc/37/53/31/334375331.db2.gz BBCHRYASCIXCAH-OAHLLOKOSA-N 0 1 296.842 3.541 20 0 CHADMN O[C@H](CNc1ccnc2cc(F)ccc21)C1CCCCC1 ZINC000500434882 332608768 /nfs/dbraw/zinc/60/87/68/332608768.db2.gz LGOORFGYYJBNSB-QGZVFWFLSA-N 0 1 288.366 3.727 20 0 CHADMN C[C@@H]1C[C@@]1(NCc1ccncc1)c1ccc(Cl)cc1 ZINC000500463582 332610159 /nfs/dbraw/zinc/61/01/59/332610159.db2.gz QIFFJBVEHIJINF-WBMJQRKESA-N 0 1 272.779 3.760 20 0 CHADMN C[C@H]1C[C@@]1(NCc1ccccn1)c1ccc(Cl)cc1 ZINC000500461381 332610318 /nfs/dbraw/zinc/61/03/18/332610318.db2.gz JBPPHIHDVAYRKM-LRDDRELGSA-N 0 1 272.779 3.760 20 0 CHADMN COCC1(C)CCN(Cc2cc(Cl)ccc2F)CC1 ZINC000500735641 332617334 /nfs/dbraw/zinc/61/73/34/332617334.db2.gz QGOIUFXLIXZLFC-UHFFFAOYSA-N 0 1 285.790 3.728 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)c1nc2ccccc2o1 ZINC000503395422 332688482 /nfs/dbraw/zinc/68/84/82/332688482.db2.gz DSHJYSIOLLGZGK-GIPNMCIBSA-N 0 1 296.317 3.639 20 0 CHADMN Cc1nc([C@@H](C)N[C@@H]2CCCC[C@H]2OC(F)F)cs1 ZINC000503914299 332698915 /nfs/dbraw/zinc/69/89/15/332698915.db2.gz VWFVNWWIXKQXIG-HLUHBDAQSA-N 0 1 290.379 3.653 20 0 CHADMN CCC[C@]1(NCc2csc(CCC(C)C)n2)CCOC1 ZINC000512264343 332960648 /nfs/dbraw/zinc/96/06/48/332960648.db2.gz VRNVWPSQNHOITD-INIZCTEOSA-N 0 1 296.480 3.781 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N(C)C[C@H]1CCCC[C@H]1O ZINC000305816696 333000068 /nfs/dbraw/zinc/00/00/68/333000068.db2.gz OQOOFFDOWQCAGL-MGPQQGTHSA-N 0 1 294.439 3.516 20 0 CHADMN C[C@@H](NCCc1ccccc1Cl)c1c(F)cncc1F ZINC000513257551 333011278 /nfs/dbraw/zinc/01/12/78/333011278.db2.gz RRQJZRLRTDYDRU-SNVBAGLBSA-N 0 1 296.748 3.907 20 0 CHADMN C[C@H](O)[C@@H]1CCCCN1Cc1cccc(Cl)c1Cl ZINC000513280581 333012210 /nfs/dbraw/zinc/01/22/10/333012210.db2.gz BEHSEYUQBQENMT-GWCFXTLKSA-N 0 1 288.218 3.729 20 0 CHADMN C[C@@H](O)[C@@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000513285966 333012444 /nfs/dbraw/zinc/01/24/44/333012444.db2.gz HASPIPNLPMQRTF-YGRLFVJLSA-N 0 1 288.218 3.729 20 0 CHADMN c1cc(CN(Cc2ccccc2)CC2CCCCC2)n[nH]1 ZINC000513386466 333016785 /nfs/dbraw/zinc/01/67/85/333016785.db2.gz LTMVFPBLJBCIMY-UHFFFAOYSA-N 0 1 283.419 3.992 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000175267902 333018960 /nfs/dbraw/zinc/01/89/60/333018960.db2.gz PPZBKNZAVAYKEL-SDDRHHMPSA-N 0 1 262.397 3.621 20 0 CHADMN CC1(C)CCN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000175281784 333019498 /nfs/dbraw/zinc/01/94/98/333019498.db2.gz RKZFCBQWQGFHON-UHFFFAOYSA-N 0 1 274.339 3.713 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@H]2CCC[C@H]2C2CC2)no1 ZINC000575805047 335117008 /nfs/dbraw/zinc/11/70/08/335117008.db2.gz FLQXDOJCEGFIES-HOTGVXAUSA-N 0 1 297.402 3.713 20 0 CHADMN Cc1ccc2ncc(CN3CCc4ccccc4[C@H]3C)n2c1 ZINC000513703309 333034077 /nfs/dbraw/zinc/03/40/77/333034077.db2.gz TWDJWRDFRSCGEB-OAHLLOKOSA-N 0 1 291.398 3.762 20 0 CHADMN C[C@H](CF)NCc1ccc(Br)c(Cl)c1 ZINC000308586731 333035940 /nfs/dbraw/zinc/03/59/40/333035940.db2.gz SERNURNOJURHIK-SSDOTTSWSA-N 0 1 280.568 3.550 20 0 CHADMN COc1ncccc1CN[C@@H](c1ccccc1)C(C)(C)C ZINC000176457443 333042264 /nfs/dbraw/zinc/04/22/64/333042264.db2.gz FJZCIAPNEDFCSX-INIZCTEOSA-N 0 1 284.403 3.967 20 0 CHADMN CC(C)CN(C)[C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000513885029 333046627 /nfs/dbraw/zinc/04/66/27/333046627.db2.gz JLYPBBOFQOWIKL-NSHDSACASA-N 0 1 293.411 3.993 20 0 CHADMN CC(C)CN(C)[C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000513885028 333046689 /nfs/dbraw/zinc/04/66/89/333046689.db2.gz JLYPBBOFQOWIKL-LLVKDONJSA-N 0 1 293.411 3.993 20 0 CHADMN CCCC[C@@H](CC)CC(=O)Nc1cc(CN(C)C)ccn1 ZINC000176934364 333050821 /nfs/dbraw/zinc/05/08/21/333050821.db2.gz TULPWADWBGTTHB-CQSZACIVSA-N 0 1 291.439 3.688 20 0 CHADMN CCc1nc(S[C@@H]2CCCCc3ccccc32)n[nH]1 ZINC000177227766 333055632 /nfs/dbraw/zinc/05/56/32/333055632.db2.gz GPNNGMRHBLEGOC-CYBMUJFWSA-N 0 1 273.405 3.927 20 0 CHADMN CCc1n[nH]c(S[C@@H]2CCCCc3ccccc32)n1 ZINC000177227766 333055634 /nfs/dbraw/zinc/05/56/34/333055634.db2.gz GPNNGMRHBLEGOC-CYBMUJFWSA-N 0 1 273.405 3.927 20 0 CHADMN FC1(F)CCC[C@H](C[N@H+]2CCO[C@@H](c3ccccc3)C2)C1 ZINC000513967703 333056060 /nfs/dbraw/zinc/05/60/60/333056060.db2.gz OPSOSBRWURGIME-GOEBONIOSA-N 0 1 295.373 3.885 20 0 CHADMN FC1(F)CCC[C@H](CN2CCO[C@@H](c3ccccc3)C2)C1 ZINC000513967703 333056062 /nfs/dbraw/zinc/05/60/62/333056062.db2.gz OPSOSBRWURGIME-GOEBONIOSA-N 0 1 295.373 3.885 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1C[C@H](OC)c1ccc(Cl)cc1 ZINC000513970956 333056553 /nfs/dbraw/zinc/05/65/53/333056553.db2.gz APJGTKFNIBGEFW-WQVCFCJDSA-N 0 1 297.826 3.527 20 0 CHADMN Cc1ccccc1[C@H](Sc1c[nH]nn1)c1ccccc1 ZINC000177369932 333058201 /nfs/dbraw/zinc/05/82/01/333058201.db2.gz MSAGMMWUFSRIQC-MRXNPFEDSA-N 0 1 281.384 3.995 20 0 CHADMN CN(CCOc1ccccc1Cl)CCC(F)(F)F ZINC000514007322 333059644 /nfs/dbraw/zinc/05/96/44/333059644.db2.gz FXLOXDKOMIPSQS-UHFFFAOYSA-N 0 1 281.705 3.603 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCc2ccccc2C1 ZINC000514070121 333064048 /nfs/dbraw/zinc/06/40/48/333064048.db2.gz PBEAPCWHVWCWOF-QAPCUYQASA-N 0 1 273.420 3.640 20 0 CHADMN CC[C@@H](C)C[N@@H+](CC)Cc1nc(-c2ccccc2)no1 ZINC000177858880 333064265 /nfs/dbraw/zinc/06/42/65/333064265.db2.gz GXNUELAUJBMSDR-CYBMUJFWSA-N 0 1 273.380 3.605 20 0 CHADMN Clc1cccc(C2(NCc3cnn4ccccc34)CC2)c1 ZINC000172686049 335119040 /nfs/dbraw/zinc/11/90/40/335119040.db2.gz GOYHLTABRSFRJN-UHFFFAOYSA-N 0 1 297.789 3.767 20 0 CHADMN C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCCC(=O)[O-] ZINC000086802042 333069804 /nfs/dbraw/zinc/06/98/04/333069804.db2.gz QWRQNVZQVBJDSO-ZDUSSCGKSA-N 0 1 277.408 3.842 20 0 CHADMN CO[C@H]1CCCN([C@H](C)c2cccc(Br)c2)C1 ZINC000178408657 333072225 /nfs/dbraw/zinc/07/22/25/333072225.db2.gz BXUKJRGHXDAONI-RISCZKNCSA-N 0 1 298.224 3.621 20 0 CHADMN Cc1nc([C@](C)(NCC2CCC(C)(C)CC2)C2CC2)no1 ZINC000516703997 333081063 /nfs/dbraw/zinc/08/10/63/333081063.db2.gz KUIATVDDSNYYJI-QGZVFWFLSA-N 0 1 291.439 3.809 20 0 CHADMN C[C@@H](c1nc(Cc2ccccc2)no1)N1CCC[C@H](C)CC1 ZINC000172789783 335122425 /nfs/dbraw/zinc/12/24/25/335122425.db2.gz CNZNLFYWSZNLFE-GJZGRUSLSA-N 0 1 299.418 3.843 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2ccc(Cl)cn2)C1 ZINC000517274737 333096569 /nfs/dbraw/zinc/09/65/69/333096569.db2.gz IIXAGDDCLRAESI-GFCCVEGCSA-N 0 1 252.789 3.603 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)CC1CCCCC1 ZINC000517275072 333096966 /nfs/dbraw/zinc/09/69/66/333096966.db2.gz FSPZMWPUQGBFKF-LBPRGKRZSA-N 0 1 291.439 3.930 20 0 CHADMN CCCC(CCC)[S@](=O)C=C(O)c1cc(C)n(C)c1C ZINC000517448418 333099725 /nfs/dbraw/zinc/09/97/25/333099725.db2.gz DNDSOMSAHCQEJZ-HXUWFJFHSA-N 0 1 297.464 3.542 20 0 CHADMN CCC1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000517608930 333103727 /nfs/dbraw/zinc/10/37/27/333103727.db2.gz JRTCETKWZXBZER-UHFFFAOYSA-N 0 1 267.800 3.971 20 0 CHADMN COc1ccc(C2(NCc3ccc(F)c(F)c3)CC2)cc1 ZINC000520992628 333109597 /nfs/dbraw/zinc/10/95/97/333109597.db2.gz GQBWRGZCTJCCQF-UHFFFAOYSA-N 0 1 289.325 3.752 20 0 CHADMN CC[C@H](NCc1nc2ccccc2[nH]1)c1ccc(OC)cc1 ZINC000336852007 335121366 /nfs/dbraw/zinc/12/13/66/335121366.db2.gz HMTXJQZGJLLPPV-HNNXBMFYSA-N 0 1 295.386 3.812 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2CCc3cc(Cl)ccc32)o1 ZINC000311675036 333113153 /nfs/dbraw/zinc/11/31/53/333113153.db2.gz KHSSGTYHYNWJAG-CQSZACIVSA-N 0 1 276.767 3.722 20 0 CHADMN C[C@@H](C(=O)Nc1cccc(Cl)c1O)c1ccccc1 ZINC000183783743 333122549 /nfs/dbraw/zinc/12/25/49/333122549.db2.gz OAOOVQTYTJFNLR-SNVBAGLBSA-N 0 1 275.735 3.788 20 0 CHADMN C[C@H](C(=O)Nc1cccc(Cl)c1O)c1ccccc1 ZINC000183783850 333122588 /nfs/dbraw/zinc/12/25/88/333122588.db2.gz OAOOVQTYTJFNLR-JTQLQIEISA-N 0 1 275.735 3.788 20 0 CHADMN COc1ccccc1[C@@H](NC1CC(C)C1)c1ccco1 ZINC000184416743 333128436 /nfs/dbraw/zinc/12/84/36/333128436.db2.gz MQZKRARTTUIBNP-QWQCLYJRSA-N 0 1 271.360 3.766 20 0 CHADMN Cn1c2ccccc2nc1C(C)(C)NCc1cccs1 ZINC000185639216 333145709 /nfs/dbraw/zinc/14/57/09/333145709.db2.gz WTQDJEOWCZMLMF-UHFFFAOYSA-N 0 1 285.416 3.660 20 0 CHADMN CCC1(C(=O)NCc2nc3ccc(C)cc3[nH]2)CCCCC1 ZINC000185917920 333151857 /nfs/dbraw/zinc/15/18/57/333151857.db2.gz RQRHNTSYNPINKO-UHFFFAOYSA-N 0 1 299.418 3.848 20 0 CHADMN CC(C)[C@H](N[C@H](C)CCC1CC1)c1nc(C2CC2)no1 ZINC000186406298 333160148 /nfs/dbraw/zinc/16/01/48/333160148.db2.gz DZSWVYZMLLQYLN-RISCZKNCSA-N 0 1 277.412 3.812 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H](CO)CC(C)(C)C)cs1 ZINC000186426096 333160461 /nfs/dbraw/zinc/16/04/61/333160461.db2.gz WFAHDZUYHMQUOY-NWDGAFQWSA-N 0 1 284.469 3.714 20 0 CHADMN Clc1cccc(CN2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186452458 333161051 /nfs/dbraw/zinc/16/10/51/333161051.db2.gz HYWZLSVABSZTQG-GOSISDBHSA-N 0 1 299.801 3.971 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](CCO)c2ccco2)c(C)s1 ZINC000186529412 333162570 /nfs/dbraw/zinc/16/25/70/333162570.db2.gz OPXSNCLKDJZSTR-BXUZGUMPSA-N 0 1 279.405 3.732 20 0 CHADMN CC[C@@H](CN(CC)Cc1nccn1CC)c1ccccc1 ZINC000186611871 333163499 /nfs/dbraw/zinc/16/34/99/333163499.db2.gz NBWNJKGCDKMNRU-INIZCTEOSA-N 0 1 285.435 3.919 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@H]1CSC1(C)C ZINC000521582390 333179229 /nfs/dbraw/zinc/17/92/29/333179229.db2.gz LNJHWCWXAJYRBK-AWEZNQCLSA-N 0 1 292.379 3.688 20 0 CHADMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1ccc(F)cc1C(=O)[O-])C1CC1 ZINC000521633551 333180638 /nfs/dbraw/zinc/18/06/38/333180638.db2.gz GPOZPHJOMYBUKD-NWDGAFQWSA-N 0 1 293.382 3.923 20 0 CHADMN COc1ccc(F)cc1CNCc1cc(C)ccc1C ZINC000189203171 333184650 /nfs/dbraw/zinc/18/46/50/333184650.db2.gz PAQWRGJQWUCOPR-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN CCc1cccc(CN(C)Cc2scnc2C)c1 ZINC000189252733 333187879 /nfs/dbraw/zinc/18/78/79/333187879.db2.gz IAQSIJWPBFXKLK-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN CCCN(C)CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000521816058 333189272 /nfs/dbraw/zinc/18/92/72/333189272.db2.gz IAVIROZXDKMZLS-UHFFFAOYSA-N 0 1 288.435 3.694 20 0 CHADMN CCCn1c(C)nnc1CN1CCCC(CC)(CC)CC1 ZINC000190411682 333206518 /nfs/dbraw/zinc/20/65/18/333206518.db2.gz KMFRVBKZMLXSAC-UHFFFAOYSA-N 0 1 292.471 3.789 20 0 CHADMN C[C@H](NC[C@@H]1CC[C@@H](C)O1)c1c(F)cccc1Cl ZINC000191062286 333214472 /nfs/dbraw/zinc/21/44/72/333214472.db2.gz JVJLPOPBOPVREU-VWYCJHECSA-N 0 1 271.763 3.697 20 0 CHADMN C[C@@H](N[C@H]1CCCC1(C)C)c1nc(C(C)(C)C)no1 ZINC000191571815 333221538 /nfs/dbraw/zinc/22/15/38/333221538.db2.gz URNQSMAJGXCCLI-MNOVXSKESA-N 0 1 265.401 3.596 20 0 CHADMN Cc1ccsc1CNCc1cc(F)c(F)cc1F ZINC000225265064 333234311 /nfs/dbraw/zinc/23/43/11/333234311.db2.gz SGYTWDNNFMEJLA-UHFFFAOYSA-N 0 1 271.307 3.764 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@@H]1COCc2ccccc21 ZINC000225979616 333244263 /nfs/dbraw/zinc/24/42/63/333244263.db2.gz VNUXXQHUFJDZBQ-RDTXWAMCSA-N 0 1 267.372 3.917 20 0 CHADMN COC[C@H](NCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000193277634 333246998 /nfs/dbraw/zinc/24/69/98/333246998.db2.gz YRHSYCFMAOWTFE-INIZCTEOSA-N 0 1 293.769 3.956 20 0 CHADMN CC[C@@H](NCc1cnn2ccccc12)c1ccccc1OC ZINC000337728876 335129421 /nfs/dbraw/zinc/12/94/21/335129421.db2.gz VNNJVOBIUBJLLZ-MRXNPFEDSA-N 0 1 295.386 3.584 20 0 CHADMN CCN(Cc1c[nH]c2ccccc12)Cc1cccnc1OC ZINC000193574822 333253696 /nfs/dbraw/zinc/25/36/96/333253696.db2.gz BRXRNADHTTYUQE-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN CC(C)n1cc(CNCc2ccc(F)c(Cl)c2)cn1 ZINC000226243444 333254748 /nfs/dbraw/zinc/25/47/48/333254748.db2.gz JIDCFVRLSTYFJZ-UHFFFAOYSA-N 0 1 281.762 3.546 20 0 CHADMN CCN(CC(=O)Nc1c(C)cc(C)cc1Cl)C(C)C ZINC000195527331 333254847 /nfs/dbraw/zinc/25/48/47/333254847.db2.gz ZFRPBIBHRGYHLZ-UHFFFAOYSA-N 0 1 282.815 3.626 20 0 CHADMN CCc1ccc(O)c(C(=O)Nc2cccc(Cl)c2O)c1 ZINC000522311422 333281959 /nfs/dbraw/zinc/28/19/59/333281959.db2.gz ILAMTJBTISYQFS-UHFFFAOYSA-N 0 1 291.734 3.566 20 0 CHADMN COc1ccccc1CN(C)Cc1ccc2c(c1)CCC2 ZINC000522442792 333287187 /nfs/dbraw/zinc/28/71/87/333287187.db2.gz BCUAVEQSWIKNEB-UHFFFAOYSA-N 0 1 281.399 3.816 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000228727580 333296104 /nfs/dbraw/zinc/29/61/04/333296104.db2.gz KPZJKVLWODSZRM-YPMHNXCESA-N 0 1 285.790 3.605 20 0 CHADMN C[C@@H](O)C[C@@H]1CCCCN1Cc1ccc(Cl)c(F)c1 ZINC000228727580 333296105 /nfs/dbraw/zinc/29/61/05/333296105.db2.gz KPZJKVLWODSZRM-YPMHNXCESA-N 0 1 285.790 3.605 20 0 CHADMN Cc1ccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(C)c1 ZINC000230052265 333312479 /nfs/dbraw/zinc/31/24/79/333312479.db2.gz BEKDCPCMYWSDPN-XIRDDKMYSA-N 0 1 287.403 3.521 20 0 CHADMN C[C@@]1(O)CCCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000230379682 333316738 /nfs/dbraw/zinc/31/67/38/333316738.db2.gz VVWBSMQBCYFSGK-CQSZACIVSA-N 0 1 288.218 3.730 20 0 CHADMN COc1cc(CN[C@@H](C)c2cn3ccccc3n2)ccc1C ZINC000575934794 335133589 /nfs/dbraw/zinc/13/35/89/335133589.db2.gz XNXPAPXAQMWNJN-AWEZNQCLSA-N 0 1 295.386 3.502 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)c1cc(Cl)sc1Cl ZINC000230950531 333322929 /nfs/dbraw/zinc/32/29/29/333322929.db2.gz YZQZCYZFVBKIGA-NBEYISGCSA-N 0 1 294.247 3.865 20 0 CHADMN CCN(CC(=O)Nc1ccccc1C(C)C)C1CCC1 ZINC000523439130 333326921 /nfs/dbraw/zinc/32/69/21/333326921.db2.gz JZSNPXBQXIVXAS-UHFFFAOYSA-N 0 1 274.408 3.623 20 0 CHADMN CC[C@@H](c1ccc(F)cc1)N1C[C@@H](CC)O[C@@H](C)C1 ZINC000523442293 333327022 /nfs/dbraw/zinc/32/70/22/333327022.db2.gz VHBVYLCJXIFVHR-MAZHCROVSA-N 0 1 265.372 3.776 20 0 CHADMN [O-]c1cccc(C[NH2+]CCCOc2ccccc2)c1Cl ZINC000393366610 333335764 /nfs/dbraw/zinc/33/57/64/333335764.db2.gz GIZKIYVRVSKGQH-UHFFFAOYSA-N 0 1 291.778 3.604 20 0 CHADMN COCC1(N[C@@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000575942914 335134410 /nfs/dbraw/zinc/13/44/10/335134410.db2.gz JJSMHAIMDQIVSU-VIFPVBQESA-N 0 1 274.191 3.823 20 0 CHADMN CCc1ccc(CCN2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000523776662 333345104 /nfs/dbraw/zinc/34/51/04/333345104.db2.gz LXVBWEJTGPLIKN-HXUWFJFHSA-N 0 1 295.426 3.865 20 0 CHADMN C(=C/c1ccccc1)\CSc1nc(-c2ccccn2)n[nH]1 ZINC000303700973 333345525 /nfs/dbraw/zinc/34/55/25/333345525.db2.gz ROWVCWRPTHSZEK-RMKNXTFCSA-N 0 1 294.383 3.672 20 0 CHADMN CC(C)(NCc1cccc2c1OCO2)c1cccs1 ZINC000523975776 333350600 /nfs/dbraw/zinc/35/06/00/333350600.db2.gz RDNCFXDRYJYINA-UHFFFAOYSA-N 0 1 275.373 3.502 20 0 CHADMN CCCCN(Cc1ccn(-c2ccccc2)n1)C1CC1 ZINC000524547846 333365960 /nfs/dbraw/zinc/36/59/60/333365960.db2.gz RUFUWGDAFKKDDP-UHFFFAOYSA-N 0 1 269.392 3.637 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2)[C@@H]1C(=O)[O-] ZINC000235317156 333367734 /nfs/dbraw/zinc/36/77/34/333367734.db2.gz ORMYSEIKBZOPMQ-CJNGLKHVSA-N 0 1 289.419 3.669 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2csc3ccccc23)[C@@H]1C(=O)[O-] ZINC000235394079 333368953 /nfs/dbraw/zinc/36/89/53/333368953.db2.gz OGAVVHSHSQAGGP-ABAIWWIYSA-N 0 1 289.400 3.586 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@H](C)[C@H]3C)n[nH]2)cc1 ZINC000524654186 333370270 /nfs/dbraw/zinc/37/02/70/333370270.db2.gz SMRWESJFLMCQND-UONOGXRCSA-N 0 1 297.402 3.646 20 0 CHADMN Cc1ccc(C[N@@H+](CC(=O)[O-])[C@@H]2CCc3ccccc32)cc1 ZINC000237719846 333381070 /nfs/dbraw/zinc/38/10/70/333381070.db2.gz UNCGWARMFZYXBE-GOSISDBHSA-N 0 1 295.382 3.569 20 0 CHADMN CCCN(Cc1ncc(CC)o1)[C@H]1C[C@H](OCC)C1(C)C ZINC000524758789 333387379 /nfs/dbraw/zinc/38/73/79/333387379.db2.gz XRSXBNHAWZUDNA-GJZGRUSLSA-N 0 1 294.439 3.653 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3ccccc3c2)C[C@H](C)O1 ZINC000524811817 333388961 /nfs/dbraw/zinc/38/89/61/333388961.db2.gz RYZSOFNSMWMPNL-KBXCAEBGSA-N 0 1 269.388 3.839 20 0 CHADMN CC(C)c1cccc(NC(=O)CN2CCC[C@H](C)[C@@H]2C)c1 ZINC000525122184 333399990 /nfs/dbraw/zinc/39/99/90/333399990.db2.gz ZFLCZSOYJSDZRD-GJZGRUSLSA-N 0 1 288.435 3.869 20 0 CHADMN CC(C)C[C@H](NCc1ccc(CO)o1)c1cccs1 ZINC000525189818 333402650 /nfs/dbraw/zinc/40/26/50/333402650.db2.gz RVEDXVRDRYDQNV-AWEZNQCLSA-N 0 1 279.405 3.710 20 0 CHADMN CCCCCc1ccc(NC(=O)c2ccnc(CN)c2)cc1 ZINC000317098061 333410741 /nfs/dbraw/zinc/41/07/41/333410741.db2.gz BPUHEOYDVMRXPV-UHFFFAOYSA-N 0 1 297.402 3.525 20 0 CHADMN C/C(Cl)=C\CN1CCC(OC2CCCCC2)CC1 ZINC000528366821 333416513 /nfs/dbraw/zinc/41/65/13/333416513.db2.gz PUVRINVJIJTDIV-NTUHNPAUSA-N 0 1 271.832 3.943 20 0 CHADMN Cc1ncc(CN[C@H](C)c2ccc3c(c2)CCCC3)o1 ZINC000397893263 333430342 /nfs/dbraw/zinc/43/03/42/333430342.db2.gz NWSQFWDQXGLUSX-GFCCVEGCSA-N 0 1 270.376 3.713 20 0 CHADMN Cc1nocc1CN[C@H](C)c1cccc2ccccc21 ZINC000339165824 335142192 /nfs/dbraw/zinc/14/21/92/335142192.db2.gz OUZLAWKUWCOOMG-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN CC(C)(CC[NH2+]Cc1cccc([O-])c1Cl)C1CC1 ZINC000328264454 333502131 /nfs/dbraw/zinc/50/21/31/333502131.db2.gz VTANHCZUEJWDJI-UHFFFAOYSA-N 0 1 267.800 3.962 20 0 CHADMN COc1ccc(CNCC2(F)CC2)cc1OC1CCCC1 ZINC000530319065 333541015 /nfs/dbraw/zinc/54/10/15/333541015.db2.gz PMYRYIDAWMNTKX-UHFFFAOYSA-N 0 1 293.382 3.608 20 0 CHADMN COc1ccc(Cl)cc1CNCc1cccc(F)c1 ZINC000037873947 333541983 /nfs/dbraw/zinc/54/19/83/333541983.db2.gz DWXZQVLPDARKPO-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN Fc1cccc([C@@H](NCc2ccno2)C2CCCC2)c1 ZINC000538233465 333580696 /nfs/dbraw/zinc/58/06/96/333580696.db2.gz MQEDBCMEDNEBMZ-INIZCTEOSA-N 0 1 274.339 3.835 20 0 CHADMN CC1CCC(CN[C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000126154470 333591470 /nfs/dbraw/zinc/59/14/70/333591470.db2.gz ORSUZTYEUDZWFA-DQPZFDDXSA-N 0 1 283.419 3.915 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cc(C)ccc1F ZINC000539105305 333658524 /nfs/dbraw/zinc/65/85/24/333658524.db2.gz PQFPIGBKHLKXFE-ZDUSSCGKSA-N 0 1 272.367 3.942 20 0 CHADMN COC(=O)c1coc([C@H](C)N[C@H]2CCc3c2cccc3C)c1 ZINC000576101129 335153681 /nfs/dbraw/zinc/15/36/81/335153681.db2.gz NLMCTBAWAVJHCV-LRDDRELGSA-N 0 1 299.370 3.713 20 0 CHADMN COc1ccccc1[C@H](CO)N[C@H](C)c1ccc(C)c(C)c1 ZINC000540183029 333718567 /nfs/dbraw/zinc/71/85/67/333718567.db2.gz OPUZXZQAVXCTMO-QAPCUYQASA-N 0 1 299.414 3.696 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H](CO)c2cccc(F)c2)c1 ZINC000540188248 333719561 /nfs/dbraw/zinc/71/95/61/333719561.db2.gz RAYOMYKBYMUTSV-GUYCJALGSA-N 0 1 273.351 3.518 20 0 CHADMN Cc1cc(Cl)ccc1CNCc1cccc2c1OCO2 ZINC000129114710 333747430 /nfs/dbraw/zinc/74/74/30/333747430.db2.gz MTRAGNVFVNPHBB-UHFFFAOYSA-N 0 1 289.762 3.667 20 0 CHADMN CC1(C)CC[C@H](C(=O)Nc2cccc(Cl)c2O)C1 ZINC000541049759 333760685 /nfs/dbraw/zinc/76/06/85/333760685.db2.gz VJEDALNMMDKGEO-VIFPVBQESA-N 0 1 267.756 3.810 20 0 CHADMN Fc1ccc(/C=C/CN2CCC(C(F)F)CC2)c(F)c1 ZINC000541772875 333791947 /nfs/dbraw/zinc/79/19/47/333791947.db2.gz LOGBCZNZSXGYLC-OWOJBTEDSA-N 0 1 287.300 3.955 20 0 CHADMN COc1ccc2ccccc2c1CNCc1ccoc1 ZINC000069832991 333793624 /nfs/dbraw/zinc/79/36/24/333793624.db2.gz NAGQTXKAENJHOP-UHFFFAOYSA-N 0 1 267.328 3.731 20 0 CHADMN COC(=O)c1ccc([C@H](C)N(C)Cc2sccc2C)o1 ZINC000340763257 335160580 /nfs/dbraw/zinc/16/05/80/335160580.db2.gz HMXGLROODWIXPM-NSHDSACASA-N 0 1 293.388 3.629 20 0 CHADMN C[C@@H](NC/C=C\c1ccccc1)c1ccc(F)cn1 ZINC000542776226 333839871 /nfs/dbraw/zinc/83/98/71/333839871.db2.gz CJOVWNNAHHSTJN-DMTLFAOVSA-N 0 1 256.324 3.585 20 0 CHADMN CCc1ccc(CNCc2ccc(OC(C)C)cc2)o1 ZINC000130472644 333843906 /nfs/dbraw/zinc/84/39/06/333843906.db2.gz BVUUVCKYBRDUTL-UHFFFAOYSA-N 0 1 273.376 3.919 20 0 CHADMN CCc1ccc(-c2noc([C@@H](C)NCCC3CC3)n2)cc1 ZINC000543542960 333879691 /nfs/dbraw/zinc/87/96/91/333879691.db2.gz QRSKMFGCZQITMX-GFCCVEGCSA-N 0 1 285.391 3.750 20 0 CHADMN CC[C@H](NCc1ccc(C(C)C)cc1)c1ccn(C)n1 ZINC000543601413 333883403 /nfs/dbraw/zinc/88/34/03/333883403.db2.gz CGZSFMVYGIVECJ-INIZCTEOSA-N 0 1 271.408 3.784 20 0 CHADMN CCCc1ccc(CN[C@@H](CO)c2cccc(F)c2)cc1 ZINC000543809367 333901351 /nfs/dbraw/zinc/90/13/51/333901351.db2.gz GXHSLTIXJLXJKM-SFHVURJKSA-N 0 1 287.378 3.601 20 0 CHADMN COCC1(NCc2c(Cl)oc3ccccc32)CCC1 ZINC000341208342 335166549 /nfs/dbraw/zinc/16/65/49/335166549.db2.gz BOKWJBIDLFATRY-UHFFFAOYSA-N 0 1 279.767 3.745 20 0 CHADMN Cc1cccc(CN(CCOC(C)C)Cc2ccccn2)c1 ZINC000174674956 335163262 /nfs/dbraw/zinc/16/32/62/335163262.db2.gz QLODUTLKSZZUIY-UHFFFAOYSA-N 0 1 298.430 3.817 20 0 CHADMN Cc1ccc([C@@H](NCc2cccnc2N(C)C)C2CCC2)o1 ZINC000544578949 333937439 /nfs/dbraw/zinc/93/74/39/333937439.db2.gz KDTFCANSWFJSCA-KRWDZBQOSA-N 0 1 299.418 3.680 20 0 CHADMN CC[C@H](NC1(c2ccccc2)CCC1)c1ccn(C)n1 ZINC000544614544 333940824 /nfs/dbraw/zinc/94/08/24/333940824.db2.gz HNGQKCUYWJEQMS-HNNXBMFYSA-N 0 1 269.392 3.540 20 0 CHADMN CC[C@@H]1CN(Cc2ccon2)CC[C@@H]1c1ccccc1 ZINC000174884809 335168581 /nfs/dbraw/zinc/16/85/81/335168581.db2.gz XGEJUPDYWGUAHM-PBHICJAKSA-N 0 1 270.376 3.690 20 0 CHADMN CC[C@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000132860118 334008186 /nfs/dbraw/zinc/00/81/86/334008186.db2.gz SIHOPSVWMOVHGB-NSHDSACASA-N 0 1 262.328 3.589 20 0 CHADMN CC[C@H]1CCCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000132860118 334008187 /nfs/dbraw/zinc/00/81/87/334008187.db2.gz SIHOPSVWMOVHGB-NSHDSACASA-N 0 1 262.328 3.589 20 0 CHADMN CC1(C)CN(Cc2ccc(-c3ccccc3)cc2)CCO1 ZINC000545995829 334011383 /nfs/dbraw/zinc/01/13/83/334011383.db2.gz UMHUWKXIZARCKM-UHFFFAOYSA-N 0 1 281.399 3.964 20 0 CHADMN C[C@@H]1CCCC[C@@H]1Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000546457334 334033553 /nfs/dbraw/zinc/03/35/53/334033553.db2.gz OTUWSWPZAVCACD-VXGBXAGGSA-N 0 1 296.374 3.982 20 0 CHADMN CCN(Cc1ccc(-c2ccncc2)cc1F)C1CC1 ZINC000133293759 334035226 /nfs/dbraw/zinc/03/52/26/334035226.db2.gz ZCNQEUXDABQQDC-UHFFFAOYSA-N 0 1 270.351 3.872 20 0 CHADMN CC[C@]1(C)CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000075213371 334037227 /nfs/dbraw/zinc/03/72/27/334037227.db2.gz HLADJCBZXWKACR-OAHLLOKOSA-N 0 1 281.783 3.698 20 0 CHADMN Cc1cncc([C@H](C)N[C@@H](C)c2cnn(C(C)C)c2)c1 ZINC000546645939 334043183 /nfs/dbraw/zinc/04/31/83/334043183.db2.gz UYRVSUXPRWBHLF-KBPBESRZSA-N 0 1 272.396 3.579 20 0 CHADMN Cc1cc(-c2noc(Cc3cccs3)n2)cc2nc[nH]c21 ZINC000547141056 334068797 /nfs/dbraw/zinc/06/87/97/334068797.db2.gz SCZDAMSGVNDTEY-UHFFFAOYSA-N 0 1 296.355 3.574 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H]1COc3ccc(F)cc31)CC2 ZINC000547356129 334083142 /nfs/dbraw/zinc/08/31/42/334083142.db2.gz YFVGPIZXUIQFRV-DLBZAZTESA-N 0 1 283.346 3.845 20 0 CHADMN OCC[C@@H](N[C@@H](CC1CC1)c1ccccc1)c1ccco1 ZINC000547400083 334085890 /nfs/dbraw/zinc/08/58/90/334085890.db2.gz OUXJQHNPYOHWEO-SJORKVTESA-N 0 1 285.387 3.834 20 0 CHADMN CCCOc1ccc([C@@H](C)NCc2ccoc2)cc1 ZINC000134288369 334086736 /nfs/dbraw/zinc/08/67/36/334086736.db2.gz ADKHPLRZHYMHKZ-CYBMUJFWSA-N 0 1 259.349 3.919 20 0 CHADMN CCCN(CC(=O)Nc1ccccc1C)[C@H]1C=CCCC1 ZINC000076668519 334087053 /nfs/dbraw/zinc/08/70/53/334087053.db2.gz UCTMFGJRDSKJIE-INIZCTEOSA-N 0 1 286.419 3.754 20 0 CHADMN Fc1cccc(C=C2CCN(CCOCC3CC3)CC2)c1 ZINC000547450932 334089666 /nfs/dbraw/zinc/08/96/66/334089666.db2.gz RLHRMSAIDPAVNO-UHFFFAOYSA-N 0 1 289.394 3.732 20 0 CHADMN Cc1cc(C(=O)Nc2cccc(Cl)c2O)ccc1F ZINC000077012296 334093503 /nfs/dbraw/zinc/09/35/03/334093503.db2.gz JGUURCQAJAKYSS-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN CCC[C@H]1CCCC[C@H]1NCc1csc(NC(C)=O)n1 ZINC000547508844 334096296 /nfs/dbraw/zinc/09/62/96/334096296.db2.gz DSMLYZYCXVBLOM-GXTWGEPZSA-N 0 1 295.452 3.550 20 0 CHADMN CCCCc1noc(CN[C@@H]2CCCC[C@@H]2CCC)n1 ZINC000547509501 334096375 /nfs/dbraw/zinc/09/63/75/334096375.db2.gz CYBXFGRAGZKMDK-UONOGXRCSA-N 0 1 279.428 3.861 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)NCCC3CC3)n2)ccc1F ZINC000547509199 334096379 /nfs/dbraw/zinc/09/63/79/334096379.db2.gz XRDIPMYHVRLVQC-LLVKDONJSA-N 0 1 289.354 3.635 20 0 CHADMN C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+](C)CC1CC1 ZINC000077194529 334098186 /nfs/dbraw/zinc/09/81/86/334098186.db2.gz ALRDYNZRXHLVHE-SNVBAGLBSA-N 0 1 279.334 3.834 20 0 CHADMN C[C@@H]1CN(C(=O)c2ccc(O)c(Cl)c2)c2ccccc21 ZINC000077215952 334098995 /nfs/dbraw/zinc/09/89/95/334098995.db2.gz XQTXKPXMNRCZHK-SNVBAGLBSA-N 0 1 287.746 3.810 20 0 CHADMN COc1cccc(F)c1[C@@H](C)NCc1ccccc1C ZINC000134772572 334103770 /nfs/dbraw/zinc/10/37/70/334103770.db2.gz QFZFDRUYTNAMQC-CYBMUJFWSA-N 0 1 273.351 3.994 20 0 CHADMN CC(C)(O)CN(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000547664406 334106949 /nfs/dbraw/zinc/10/69/49/334106949.db2.gz PPWOJMLWRUOPGG-UHFFFAOYSA-N 0 1 288.218 3.729 20 0 CHADMN CC[C@@H]1CCCCCN1Cc1cncc(Br)c1 ZINC000134911939 334108212 /nfs/dbraw/zinc/10/82/12/334108212.db2.gz YWGLGRYOGNKDLZ-CQSZACIVSA-N 0 1 297.240 3.999 20 0 CHADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2Br)C1 ZINC000134969590 334110160 /nfs/dbraw/zinc/11/01/60/334110160.db2.gz JZNHTBNXGYKILZ-GHMZBOCLSA-N 0 1 268.198 3.679 20 0 CHADMN CCC[C@H]1CCCC[C@@H]1NCc1nc(C(C)(C)C)no1 ZINC000547832747 334124865 /nfs/dbraw/zinc/12/48/65/334124865.db2.gz UPXIGOLKHUKXRO-STQMWFEESA-N 0 1 279.428 3.816 20 0 CHADMN O=C(Nc1cc(Cl)ccc1O)c1ccc(O)c(Cl)c1 ZINC000078346585 334131630 /nfs/dbraw/zinc/13/16/30/334131630.db2.gz GFUUMXQRFNWWMJ-UHFFFAOYSA-N 0 1 298.125 3.657 20 0 CHADMN CCCC[N@@H+](CC)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000564336799 334133634 /nfs/dbraw/zinc/13/36/34/334133634.db2.gz HZLBZEIBVPOBKJ-UHFFFAOYSA-N 0 1 269.772 3.660 20 0 CHADMN Cc1cc(F)ccc1C[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC000564336653 334133682 /nfs/dbraw/zinc/13/36/82/334133682.db2.gz DKRSIEZBUUPXAC-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN Cc1cc(OCc2ccn(-c3ccc(F)cc3)n2)cc(C)n1 ZINC000548142144 334142389 /nfs/dbraw/zinc/14/23/89/334142389.db2.gz PFEQBVIGVYPPPW-UHFFFAOYSA-N 0 1 297.333 3.602 20 0 CHADMN Cc1cc2cn[nH]c2c(C(=O)Nc2cccc3cc[nH]c32)c1 ZINC000548145375 334142650 /nfs/dbraw/zinc/14/26/50/334142650.db2.gz YBEUJGFIPCMRCE-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN C[C@@]1(c2ccccc2)CCN(Cc2nc3ccccc3[nH]2)C1 ZINC000548158115 334143720 /nfs/dbraw/zinc/14/37/20/334143720.db2.gz KXIYMQQYOCVMCC-LJQANCHMSA-N 0 1 291.398 3.727 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC000548176199 334144899 /nfs/dbraw/zinc/14/48/99/334144899.db2.gz QKMURMXONVPMRV-CMPLNLGQSA-N 0 1 297.324 3.726 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc2nc[nH]c2c1 ZINC000548176199 334144900 /nfs/dbraw/zinc/14/49/00/334144900.db2.gz QKMURMXONVPMRV-CMPLNLGQSA-N 0 1 297.324 3.726 20 0 CHADMN CC(C)(O)[C@@H]1CCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000136244748 334150560 /nfs/dbraw/zinc/15/05/60/334150560.db2.gz XHJYISHGYFDXPK-ZDUSSCGKSA-N 0 1 288.218 3.729 20 0 CHADMN C[C@H]1C[C@H](C)N1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000548424994 334155629 /nfs/dbraw/zinc/15/56/29/334155629.db2.gz IEVSHRASCPSVFF-RYUDHWBXSA-N 0 1 295.810 3.527 20 0 CHADMN CC(C)[C@H]1CCCC[C@@H]1NCc1ncn(-c2ccccc2)n1 ZINC000548442358 334156456 /nfs/dbraw/zinc/15/64/56/334156456.db2.gz OCSBHEGLDVQUHP-SJORKVTESA-N 0 1 298.434 3.572 20 0 CHADMN Cc1cc(OCCCOCc2ccccc2)cc(C)n1 ZINC000548470308 334158737 /nfs/dbraw/zinc/15/87/37/334158737.db2.gz VIZAMIDRWAQDDL-UHFFFAOYSA-N 0 1 271.360 3.684 20 0 CHADMN O=C(N[C@@H]1CC=CCC1)c1c(O)cc(Cl)cc1Cl ZINC000080029100 334165302 /nfs/dbraw/zinc/16/53/02/334165302.db2.gz DHNHNFGZJYSLEH-SECBINFHSA-N 0 1 286.158 3.538 20 0 CHADMN CCOC(=O)c1oc2ccccc2c1CN1[C@H](C)C[C@@H]1C ZINC000548753222 334169695 /nfs/dbraw/zinc/16/96/95/334169695.db2.gz PATMXXZETVBVRU-TXEJJXNPSA-N 0 1 287.359 3.592 20 0 CHADMN Cc1cnc(C(C)(C)NCc2cccc3[nH]ccc32)s1 ZINC000080346478 334170652 /nfs/dbraw/zinc/17/06/52/334170652.db2.gz FOUBNPXUOSMIJR-UHFFFAOYSA-N 0 1 285.416 3.958 20 0 CHADMN CCS[C@@H](C)c1noc(CNC(CC)(CC)CC)n1 ZINC000137661722 334175946 /nfs/dbraw/zinc/17/59/46/334175946.db2.gz UOOLDKWBJQCRDY-NSHDSACASA-N 0 1 285.457 3.942 20 0 CHADMN Cc1nc2cc(N[C@H]3CCCC34CCOCC4)ccc2n1C ZINC000548859320 334176684 /nfs/dbraw/zinc/17/66/84/334176684.db2.gz YRVSSQCSDVSUEQ-KRWDZBQOSA-N 0 1 299.418 3.643 20 0 CHADMN C[C@H](N[C@@H]1CC[C@H]1C1CCC1)c1noc(-c2ccccc2)n1 ZINC000548883613 334178990 /nfs/dbraw/zinc/17/89/90/334178990.db2.gz MLUFNROYGONWQA-VBNZEHGJSA-N 0 1 297.402 3.966 20 0 CHADMN CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000081179687 334180330 /nfs/dbraw/zinc/18/03/30/334180330.db2.gz GYIOBUQPGOEVMU-WFASDCNBSA-N 0 1 277.412 3.574 20 0 CHADMN COc1ccc(-c2n[nH]c(S[C@H]3CC[C@@H](C)C3)n2)cc1 ZINC000549011030 334182432 /nfs/dbraw/zinc/18/24/32/334182432.db2.gz UEZPCYYOAFGDFY-MFKMUULPSA-N 0 1 289.404 3.761 20 0 CHADMN Cc1cc(C(=O)N2CCCC[C@@H]2c2cccc(C)c2C)n[nH]1 ZINC000081323470 334185236 /nfs/dbraw/zinc/18/52/36/334185236.db2.gz GCQMVBLBHRGKAE-QGZVFWFLSA-N 0 1 297.402 3.702 20 0 CHADMN CCCCc1noc(CN(C)[C@H](C)C2CCCCC2)n1 ZINC000549159849 334186789 /nfs/dbraw/zinc/18/67/89/334186789.db2.gz RQNMBKGVJBTOFA-CYBMUJFWSA-N 0 1 279.428 3.813 20 0 CHADMN O[C@@H]1CCCC[C@H]1N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000549187789 334187377 /nfs/dbraw/zinc/18/73/77/334187377.db2.gz VEFPOVPEKIFBNJ-BZUAXINKSA-N 0 1 297.801 3.514 20 0 CHADMN CCc1ccc(CN2CCCc3cc(OC)ccc3C2)nc1 ZINC000549405556 334192766 /nfs/dbraw/zinc/19/27/66/334192766.db2.gz XXBQDXGECDXIFC-UHFFFAOYSA-N 0 1 296.414 3.601 20 0 CHADMN CCCC[N@@H+](CCCO)Cc1ccc(C(C)C)nc1CC ZINC000549536735 334196718 /nfs/dbraw/zinc/19/67/18/334196718.db2.gz WLCDYWMUEBRWAM-UHFFFAOYSA-N 0 1 292.467 3.752 20 0 CHADMN C[C@@H]1CN(Cc2cc(-c3ccc(Cl)cc3)no2)[C@H]1C ZINC000549923226 334208963 /nfs/dbraw/zinc/20/89/63/334208963.db2.gz CUXLYFDPCOAYRB-MNOVXSKESA-N 0 1 276.767 3.835 20 0 CHADMN CC1=CCN(CCc2c(F)cccc2Cl)CC1 ZINC000549971965 334210496 /nfs/dbraw/zinc/21/04/96/334210496.db2.gz WWEJVACKRPMIQH-UHFFFAOYSA-N 0 1 253.748 3.674 20 0 CHADMN CCCCN(Cc1noc(CC)n1)[C@H]1CCC[C@@H](C)C1 ZINC000550000574 334211309 /nfs/dbraw/zinc/21/13/09/334211309.db2.gz LJGZTDXZSPEUQH-KGLIPLIRSA-N 0 1 279.428 3.813 20 0 CHADMN CCCN(C)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000081957997 334214415 /nfs/dbraw/zinc/21/44/15/334214415.db2.gz ICVVCFXFKZZKKG-UHFFFAOYSA-N 0 1 277.751 3.681 20 0 CHADMN COc1ccc(CN2C[C@H](C)[C@@H]2c2ccccc2)cc1OC ZINC000245810872 334220586 /nfs/dbraw/zinc/22/05/86/334220586.db2.gz ZJAHJHCISQMVDF-IFXJQAMLSA-N 0 1 297.398 3.897 20 0 CHADMN C[C@@H]1CCN(Cc2ncc(-c3cccs3)o2)C[C@H]1C ZINC000245887661 334223007 /nfs/dbraw/zinc/22/30/07/334223007.db2.gz JBIDLKOJDYYODK-VXGBXAGGSA-N 0 1 276.405 3.881 20 0 CHADMN Cc1nc(CN2CCC[C@H](C)[C@H]2C)nc2ccccc12 ZINC000247006775 334273777 /nfs/dbraw/zinc/27/37/77/334273777.db2.gz UAIMPPKFIFNZCH-GXTWGEPZSA-N 0 1 269.392 3.559 20 0 CHADMN C[C@@H](CN1CCO[C@@H](c2cccc(O)c2)C1)c1ccccc1 ZINC000246999771 334273843 /nfs/dbraw/zinc/27/38/43/334273843.db2.gz JSOLMHACIMVXIB-HNAYVOBHSA-N 0 1 297.398 3.569 20 0 CHADMN CC(F)(F)CN[C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000551263121 334243357 /nfs/dbraw/zinc/24/33/57/334243357.db2.gz MNPMZVMVJHFANW-QWHCGFSZSA-N 0 1 257.299 3.707 20 0 CHADMN C[C@@H]1CN(CCC2CCCCC2)CCN1CC(F)(F)F ZINC000551588892 334255338 /nfs/dbraw/zinc/25/53/38/334255338.db2.gz BOKVTFYPOPIICG-CYBMUJFWSA-N 0 1 292.389 3.525 20 0 CHADMN CO[C@H](C)c1nc(CN2CC[C@@H](C)C[C@H](C)C2)cs1 ZINC000246704657 334267561 /nfs/dbraw/zinc/26/75/61/334267561.db2.gz NCQNDTABDRESKG-FRRDWIJNSA-N 0 1 282.453 3.719 20 0 CHADMN CCc1ccc(CNC(C)(C)c2c(C)noc2C)s1 ZINC000552021819 334277363 /nfs/dbraw/zinc/27/73/63/334277363.db2.gz NGTRIDSOHBQYRN-UHFFFAOYSA-N 0 1 278.421 3.940 20 0 CHADMN CC(C)[C@H]1CC[C@@H]1NCc1ncc(-c2ccccc2)cn1 ZINC000552065753 334284385 /nfs/dbraw/zinc/28/43/85/334284385.db2.gz MOPJCYUADCTLAS-SJORKVTESA-N 0 1 281.403 3.668 20 0 CHADMN CC(C)[C@@H]1CC[C@@H]1N[C@@H](c1nccn1C)c1ccccc1 ZINC000552238943 334307132 /nfs/dbraw/zinc/30/71/32/334307132.db2.gz UELQLVXAIGHMAV-YESZJQIVSA-N 0 1 283.419 3.534 20 0 CHADMN CCn1cccc1C[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000552278597 334312180 /nfs/dbraw/zinc/31/21/80/334312180.db2.gz HHTWIMFUMKENBS-UHFFFAOYSA-N 0 1 286.419 3.765 20 0 CHADMN CCn1cccc1CN(C)Cc1cc(C)c(OC)c(C)c1 ZINC000552278597 334312181 /nfs/dbraw/zinc/31/21/81/334312181.db2.gz HHTWIMFUMKENBS-UHFFFAOYSA-N 0 1 286.419 3.765 20 0 CHADMN COC[C@@H]1CCN1C/C(C)=C\c1ccccc1C(F)(F)F ZINC000552315400 334315983 /nfs/dbraw/zinc/31/59/83/334315983.db2.gz QNWGSXKQKWJZGS-UQTJOTSZSA-N 0 1 299.336 3.829 20 0 CHADMN Cc1cc(Cl)cc(C)c1CN1CCC[C@@H]1CF ZINC000552392432 334323151 /nfs/dbraw/zinc/32/31/51/334323151.db2.gz RCLPXLKKRZKLKR-CYBMUJFWSA-N 0 1 255.764 3.891 20 0 CHADMN COC(=O)[C@@H]1CCN([C@@H](C)c2ccccc2Cl)C[C@@H]1C ZINC000248973094 334323550 /nfs/dbraw/zinc/32/35/50/334323550.db2.gz DBCUQDMNNDDNIN-RWMBFGLXSA-N 0 1 295.810 3.532 20 0 CHADMN COC(=O)[C@@H]1CCN([C@H](C)c2ccccc2Cl)C[C@H]1C ZINC000248973090 334323597 /nfs/dbraw/zinc/32/35/97/334323597.db2.gz DBCUQDMNNDDNIN-JHJVBQTASA-N 0 1 295.810 3.532 20 0 CHADMN C[C@H](c1c(F)cccc1F)N1CCS[C@H](C)CC1 ZINC000249047363 334325761 /nfs/dbraw/zinc/32/57/61/334325761.db2.gz NVDRZEVEEJYLBO-GHMZBOCLSA-N 0 1 271.376 3.853 20 0 CHADMN CC(C)C[C@@H](C)N1CCc2c3ccccc3[nH]c2C1 ZINC000552625444 334340118 /nfs/dbraw/zinc/34/01/18/334340118.db2.gz UGAPIBGECNZIQZ-CYBMUJFWSA-N 0 1 256.393 3.961 20 0 CHADMN Cc1ccc(-c2nnc([C@H](C)N3CCC[C@@H](C)C3)o2)cc1 ZINC000249813905 334340823 /nfs/dbraw/zinc/34/08/23/334340823.db2.gz JPRNKNRYFWTJON-KGLIPLIRSA-N 0 1 285.391 3.838 20 0 CHADMN Cc1cccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1C ZINC000250994998 334354437 /nfs/dbraw/zinc/35/44/37/334354437.db2.gz DZRPLCRODWWPAM-PVAVHDDUSA-N 0 1 287.403 3.521 20 0 CHADMN Cc1cc(C)cc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000251063422 334355547 /nfs/dbraw/zinc/35/55/47/334355547.db2.gz FKBNUZWWVIIHIA-BBWFWOEESA-N 0 1 287.403 3.521 20 0 CHADMN CCc1ccc(-c2noc(CN3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000251919346 334371897 /nfs/dbraw/zinc/37/18/97/334371897.db2.gz AALQOGAFGRKXPF-ZIAGYGMSSA-N 0 1 299.418 3.777 20 0 CHADMN CCC(CC)[C@H](NCc1ccn(C)n1)c1cccs1 ZINC000553422081 334383607 /nfs/dbraw/zinc/38/36/07/334383607.db2.gz SXEPMGVBJBUJSS-HNNXBMFYSA-N 0 1 277.437 3.749 20 0 CHADMN CCCCO[C@@H]1C[C@H](NCc2csc(CC)n2)C1(C)C ZINC000553833936 334400179 /nfs/dbraw/zinc/40/01/79/334400179.db2.gz BMLXDRMHLZEXOC-UONOGXRCSA-N 0 1 296.480 3.779 20 0 CHADMN C[C@@H]1CN(Cc2cnc(C(C)(C)C)s2)C[C@@H](C)S1 ZINC000092541059 334422358 /nfs/dbraw/zinc/42/23/58/334422358.db2.gz MWGMACAPDLUTBV-GHMZBOCLSA-N 0 1 284.494 3.766 20 0 CHADMN COc1cc([C@H](C)NC/C=C\c2ccccc2)c(F)cn1 ZINC000554362228 334424459 /nfs/dbraw/zinc/42/44/59/334424459.db2.gz NTVCREZWRWIZGE-XURPKSDJSA-N 0 1 286.350 3.593 20 0 CHADMN FC(F)C1CCN(Cc2sccc2Cl)CC1 ZINC000555014482 334465265 /nfs/dbraw/zinc/46/52/65/334465265.db2.gz BZZHAWCUICTSDS-UHFFFAOYSA-N 0 1 265.756 3.879 20 0 CHADMN COc1ccc(F)c(CN[C@@H](C)c2ccc(C)cc2)c1 ZINC000555525158 334480255 /nfs/dbraw/zinc/48/02/55/334480255.db2.gz XHJBKSPLPYWHCB-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN CC1(C)CCC[C@H](CNCc2ncn(-c3ccccc3)n2)C1 ZINC000555644053 334485973 /nfs/dbraw/zinc/48/59/73/334485973.db2.gz VRGQZPJTKDJTNB-HNNXBMFYSA-N 0 1 298.434 3.573 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1C[C@H]2CCC[C@@H]2C1 ZINC000153181995 334566347 /nfs/dbraw/zinc/56/63/47/334566347.db2.gz LQSNSQBDSVXOLS-IJLUTSLNSA-N 0 1 289.404 3.591 20 0 CHADMN Cc1cc(C)c([C@@H](C)NCc2ncccc2N(C)C)cc1C ZINC000565626134 334581192 /nfs/dbraw/zinc/58/11/92/334581192.db2.gz NQSRLIDADZDVLD-MRXNPFEDSA-N 0 1 297.446 3.924 20 0 CHADMN Cc1cc2cc(CNCc3ccc4c(n3)CCC4)ccc2[nH]1 ZINC000565937507 334610104 /nfs/dbraw/zinc/61/01/04/334610104.db2.gz MZXZMWHDYHXMAP-UHFFFAOYSA-N 0 1 291.398 3.650 20 0 CHADMN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000565976631 334613435 /nfs/dbraw/zinc/61/34/35/334613435.db2.gz AFJDJZJSCVACGI-AGIUHOORSA-N 0 1 290.432 3.884 20 0 CHADMN CC[C@@H](Cc1ccccc1)c1nc(C2(N)CCCCC2)no1 ZINC000566096591 334622051 /nfs/dbraw/zinc/62/20/51/334622051.db2.gz DJPRPDFGTGHFDB-HNNXBMFYSA-N 0 1 299.418 3.924 20 0 CHADMN CN(CCC1CC1)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000154008128 334685324 /nfs/dbraw/zinc/68/53/24/334685324.db2.gz NFLIFEGUSHOLNU-UHFFFAOYSA-N 0 1 288.174 3.571 20 0 CHADMN CCn1ccnc1CN[C@@H]1CC[C@H](C)c2ccccc21 ZINC000269816027 334729685 /nfs/dbraw/zinc/72/96/85/334729685.db2.gz NUKXEPWNLAIMAU-XJKSGUPXSA-N 0 1 269.392 3.631 20 0 CHADMN CCN(C(=O)c1ncccc1O)c1cccc2ccccc21 ZINC000314565875 334788873 /nfs/dbraw/zinc/78/88/73/334788873.db2.gz BXOPYOXGIBYBHB-UHFFFAOYSA-N 0 1 292.338 3.607 20 0 CHADMN COC[C@H](NCc1ccc(SC)s1)c1ccccc1 ZINC000568333338 334815647 /nfs/dbraw/zinc/81/56/47/334815647.db2.gz VKCWADVPKGKTBD-AWEZNQCLSA-N 0 1 293.457 3.947 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CC[C@H](c2ccncc2)C1 ZINC000576300851 335186728 /nfs/dbraw/zinc/18/67/28/335186728.db2.gz MGQPIEYSVIOFPV-JSGCOSHPSA-N 0 1 288.341 3.910 20 0 CHADMN CC(C)C[C@@H](C)C[N@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000576352988 335193398 /nfs/dbraw/zinc/19/33/98/335193398.db2.gz LIHUODNBTAWPAK-CVEARBPZSA-N 0 1 291.435 3.892 20 0 CHADMN O=C([O-])C[N@@H+](CCCc1ccccc1Cl)C1CCCC1 ZINC000576359459 335194612 /nfs/dbraw/zinc/19/46/12/335194612.db2.gz BCWTVZPRFLISBD-UHFFFAOYSA-N 0 1 295.810 3.602 20 0 CHADMN CCc1cccc(F)c1CN1CCC(F)(F)[C@@H](C)C1 ZINC000576438634 335203547 /nfs/dbraw/zinc/20/35/47/335203547.db2.gz SNOFDQAJOLRXDJ-NSHDSACASA-N 0 1 271.326 3.865 20 0 CHADMN CCCn1cc(CNC(C)(C)c2ccc(F)c(F)c2)cn1 ZINC000175990505 335226528 /nfs/dbraw/zinc/22/65/28/335226528.db2.gz NYSKOYNBDIBGGP-UHFFFAOYSA-N 0 1 293.361 3.596 20 0 CHADMN CCCOC1(CNCc2ncc(CC)s2)CCCCC1 ZINC000576672022 335233140 /nfs/dbraw/zinc/23/31/40/335233140.db2.gz NEJCDUIBRFEJPU-UHFFFAOYSA-N 0 1 296.480 3.925 20 0 CHADMN C[C@H]1CCC[C@@H](CC[N@@H+](CC(=O)[O-])Cc2ccccc2)C1 ZINC000576710772 335238576 /nfs/dbraw/zinc/23/85/76/335238576.db2.gz TZWXEGZOWJZSAN-HOTGVXAUSA-N 0 1 289.419 3.790 20 0 CHADMN CC(C)n1cncc1CN(C)[C@@H]1CCCc2ccccc21 ZINC000576746351 335242299 /nfs/dbraw/zinc/24/22/99/335242299.db2.gz HSGFNLQYMDFUTR-GOSISDBHSA-N 0 1 283.419 3.973 20 0 CHADMN Cc1ccc(C[N@@H+](C)CC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000576761330 335244853 /nfs/dbraw/zinc/24/48/53/335244853.db2.gz JFFIQWAJGGXUFE-GOSISDBHSA-N 0 1 297.398 3.685 20 0 CHADMN CC[C@H](C)[C@H](C)[N@@H+](Cc1cc(C(=O)[O-])c(C)o1)C1CC1 ZINC000576761418 335244930 /nfs/dbraw/zinc/24/49/30/335244930.db2.gz LMRODRAOAMOJOX-QWRGUYRKSA-N 0 1 279.380 3.685 20 0 CHADMN CC[C@@H]1c2ccsc2CCN1Cc1ccncc1C ZINC000576787673 335247676 /nfs/dbraw/zinc/24/76/76/335247676.db2.gz BRHQKRKLPNBCRC-OAHLLOKOSA-N 0 1 272.417 3.961 20 0 CHADMN CC[C@@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccn(C)n1 ZINC000576823330 335252075 /nfs/dbraw/zinc/25/20/75/335252075.db2.gz XQYKIHDIFHRREH-QJPTWQEYSA-N 0 1 289.345 3.582 20 0 CHADMN CCn1nc(CN2CC(C)(C)[C@@H]2C2CC2)c2ccccc21 ZINC000576871153 335258113 /nfs/dbraw/zinc/25/81/13/335258113.db2.gz RNXMELWAPXCMJQ-KRWDZBQOSA-N 0 1 283.419 3.677 20 0 CHADMN CCCCC[N@@H+](Cc1csc(C(=O)[O-])c1)C(C)C ZINC000580561258 335281593 /nfs/dbraw/zinc/28/15/93/335281593.db2.gz RHDPNSNFWKKVEL-UHFFFAOYSA-N 0 1 269.410 3.847 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000580561386 335281600 /nfs/dbraw/zinc/28/16/00/335281600.db2.gz XILXVBICJWZLPT-WBMJQRKESA-N 0 1 293.382 3.925 20 0 CHADMN Cn1ncc2ccc(CNCc3ccsc3Cl)cc21 ZINC000580609633 335298227 /nfs/dbraw/zinc/29/82/27/335298227.db2.gz QSBHIQGNKQLOJR-UHFFFAOYSA-N 0 1 291.807 3.578 20 0 CHADMN Cc1ccc(C)c([C@H](C)N[C@H]2C[C@H](C)n3ccnc32)c1 ZINC000345344951 335316645 /nfs/dbraw/zinc/31/66/45/335316645.db2.gz BETXMIRYVMCVBM-DZKIICNBSA-N 0 1 269.392 3.857 20 0 CHADMN O=C([O-])CCC[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000577176973 335316648 /nfs/dbraw/zinc/31/66/48/335316648.db2.gz XXYKMVLAFRGFRY-CQSZACIVSA-N 0 1 281.783 3.732 20 0 CHADMN CCn1c2ccccc2c2cc(CNCCF)ccc21 ZINC000380126572 335327206 /nfs/dbraw/zinc/32/72/06/335327206.db2.gz RYQPBQWGALBCOJ-UHFFFAOYSA-N 0 1 270.351 3.874 20 0 CHADMN O=C([O-])CCCC[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000577297110 335336861 /nfs/dbraw/zinc/33/68/61/335336861.db2.gz ZQTLSFAMNJSQCC-MRXNPFEDSA-N 0 1 287.403 3.511 20 0 CHADMN Cc1cccc(CN[C@H]2c3ccccc3O[C@@H]2C)c1 ZINC000577416799 335350876 /nfs/dbraw/zinc/35/08/76/335350876.db2.gz JLBPBHJDJVHHFU-CXAGYDPISA-N 0 1 253.345 3.607 20 0 CHADMN Cc1ccccc1C1CC(N(Cc2cnccn2)C2CC2)C1 ZINC000577467550 335355487 /nfs/dbraw/zinc/35/54/87/335355487.db2.gz JLMPGMOKTDJOBF-UHFFFAOYSA-N 0 1 293.414 3.696 20 0 CHADMN Cc1cnc(CCN(C)Cc2ccccc2F)c(C)c1 ZINC000577508033 335362122 /nfs/dbraw/zinc/36/21/22/335362122.db2.gz COQMBODAUGHSKL-UHFFFAOYSA-N 0 1 272.367 3.512 20 0 CHADMN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1nc(C(C)(C)C)no1 ZINC000177533359 335373789 /nfs/dbraw/zinc/37/37/89/335373789.db2.gz CZLCLSDPKQLUFO-ZFWWWQNUSA-N 0 1 299.418 3.745 20 0 CHADMN C[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000577761008 335398601 /nfs/dbraw/zinc/39/86/01/335398601.db2.gz ZPWASPIZQXLXSI-SFHVURJKSA-N 0 1 299.370 3.575 20 0 CHADMN Cc1noc([C@@H](C)NC2CCC(c3ccccc3)CC2)n1 ZINC000578039112 335470396 /nfs/dbraw/zinc/47/03/96/335470396.db2.gz NESFVISERLZSQJ-UWTIGNOOSA-N 0 1 285.391 3.755 20 0 CHADMN CC(C)C[C@@H](C)c1nc(-c2ccn3cncc3c2)no1 ZINC000350296211 335500128 /nfs/dbraw/zinc/50/01/28/335500128.db2.gz CWXQNDFGTRBIBG-LLVKDONJSA-N 0 1 270.336 3.534 20 0 CHADMN C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1nccn1C ZINC000182224924 335804827 /nfs/dbraw/zinc/80/48/27/335804827.db2.gz YCALGYDCWMQPQZ-IAQYHMDHSA-N 0 1 289.810 3.875 20 0 CHADMN OC[C@@H](NCCCCCF)c1c(Cl)cccc1Cl ZINC000579621436 335824942 /nfs/dbraw/zinc/82/49/42/335824942.db2.gz XCLZXOUMZFLTJL-GFCCVEGCSA-N 0 1 294.197 3.756 20 0 CHADMN C[C@@H](N[C@H]1CCC(C)(C)c2ccccc21)c1nccn1C ZINC000183195161 335878034 /nfs/dbraw/zinc/87/80/34/335878034.db2.gz RIXLGDXJSVMSMZ-CJNGLKHVSA-N 0 1 283.419 3.883 20 0 CHADMN COC[C@@H](NCCc1c(F)cccc1Cl)c1ccco1 ZINC000184517092 335927752 /nfs/dbraw/zinc/92/77/52/335927752.db2.gz KERIMMTVBPYMBB-CQSZACIVSA-N 0 1 297.757 3.592 20 0 CHADMN Fc1cc(F)cc(C2CC(NCc3ncccc3F)C2)c1 ZINC000581038418 335999546 /nfs/dbraw/zinc/99/95/46/335999546.db2.gz INHVPDUVJKJNMF-UHFFFAOYSA-N 0 1 292.304 3.535 20 0 CHADMN C=Cn1cc(CN[C@H](C)c2ccc(SCC)cc2)cn1 ZINC000194288962 336014209 /nfs/dbraw/zinc/01/42/09/336014209.db2.gz IUJSCYSJGNMCFO-CYBMUJFWSA-N 0 1 287.432 3.946 20 0 CHADMN CC[C@H](NCc1ccc(C)c(OC)c1)c1c(C)noc1C ZINC000194398301 336019822 /nfs/dbraw/zinc/01/98/22/336019822.db2.gz VNPTZSCKDFFGHF-HNNXBMFYSA-N 0 1 288.391 3.849 20 0 CHADMN Cc1cnn(C)c1CN(Cc1cccc(Cl)c1)C(C)C ZINC000581276898 336035663 /nfs/dbraw/zinc/03/56/63/336035663.db2.gz FKWWFNSCORWZHR-UHFFFAOYSA-N 0 1 291.826 3.793 20 0 CHADMN Cc1cc(CN[C@H]2CSc3ccccc32)cs1 ZINC000381105274 336050211 /nfs/dbraw/zinc/05/02/11/336050211.db2.gz AZKLWNFGSTYGNV-ZDUSSCGKSA-N 0 1 261.415 3.993 20 0 CHADMN COC(=O)c1sccc1CN1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000381126669 336050917 /nfs/dbraw/zinc/05/09/17/336050917.db2.gz MYQCPZQFYWMAOO-QWHCGFSZSA-N 0 1 293.432 3.545 20 0 CHADMN CCC[C@H](CN[C@@H](c1ccco1)c1ccccc1)OC ZINC000381239998 336056342 /nfs/dbraw/zinc/05/63/42/336056342.db2.gz RSELIIBYKCDTAA-NVXWUHKLSA-N 0 1 273.376 3.774 20 0 CHADMN CC[C@H](C)[C@@H](CNCc1csc(C(C)(C)C)n1)OC ZINC000381279996 336057751 /nfs/dbraw/zinc/05/77/51/336057751.db2.gz KSVGAGQONGKBRM-WCQYABFASA-N 0 1 284.469 3.591 20 0 CHADMN CC[C@@H](C)[C@@H](CNCc1csc(C(C)(C)C)n1)OC ZINC000381279995 336057847 /nfs/dbraw/zinc/05/78/47/336057847.db2.gz KSVGAGQONGKBRM-DGCLKSJQSA-N 0 1 284.469 3.591 20 0 CHADMN CN(CCc1c(F)cccc1Cl)Cc1ccco1 ZINC000195718773 336058786 /nfs/dbraw/zinc/05/87/86/336058786.db2.gz SSXGEMATOUEXAT-UHFFFAOYSA-N 0 1 267.731 3.747 20 0 CHADMN CS[C@H](CN[C@@H](C)c1cscn1)C(C)(C)C ZINC000381397897 336061235 /nfs/dbraw/zinc/06/12/35/336061235.db2.gz QBONHXFMTBPLIY-GXSJLCMTSA-N 0 1 258.456 3.571 20 0 CHADMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC000381478802 336066396 /nfs/dbraw/zinc/06/63/96/336066396.db2.gz DZWFOSAZPHCBIC-ZYHUDNBSSA-N 0 1 281.783 3.801 20 0 CHADMN CSCCNC1(c2c(Cl)cccc2Cl)CC1 ZINC000381551593 336068157 /nfs/dbraw/zinc/06/81/57/336068157.db2.gz MZEWFAUACGZBPS-UHFFFAOYSA-N 0 1 276.232 3.935 20 0 CHADMN C[C@H]([N@@H+](C)Cc1cccc(C(=O)[O-])c1Cl)C(C)(C)C ZINC000381688785 336070902 /nfs/dbraw/zinc/07/09/02/336070902.db2.gz NFKZQJVROVNMCD-JTQLQIEISA-N 0 1 283.799 3.905 20 0 CHADMN COC(=O)c1cccc(CN2CCC[C@H](C)[C@@H]2C)c1Cl ZINC000381748859 336072258 /nfs/dbraw/zinc/07/22/58/336072258.db2.gz VPOBXSORFRXYGP-RYUDHWBXSA-N 0 1 295.810 3.747 20 0 CHADMN CC[C@H]1C[C@@H](CN2CCc3sc(Cl)cc3C2)CCO1 ZINC000581430122 336076130 /nfs/dbraw/zinc/07/61/30/336076130.db2.gz LBRIHSWQABMHTD-AAEUAGOBSA-N 0 1 299.867 3.965 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1Cl ZINC000381920518 336077313 /nfs/dbraw/zinc/07/73/13/336077313.db2.gz OESUNKUNDAQCDM-FZMZJTMJSA-N 0 1 293.794 3.803 20 0 CHADMN Cc1nsc(C)c1CN1CCC[C@H]1c1cccc(C)n1 ZINC000581436867 336077617 /nfs/dbraw/zinc/07/76/17/336077617.db2.gz FWZGKXTVNSQIPV-INIZCTEOSA-N 0 1 287.432 3.800 20 0 CHADMN CC(C)[C@H](C)[N@@H+](C)Cc1cccc(C(=O)[O-])c1Cl ZINC000382074055 336081104 /nfs/dbraw/zinc/08/11/04/336081104.db2.gz HKGHPKPVAFXUPX-JTQLQIEISA-N 0 1 269.772 3.515 20 0 CHADMN Brc1ccc(CN2CCC[C@H]3CCC[C@@H]32)o1 ZINC000382126593 336082286 /nfs/dbraw/zinc/08/22/86/336082286.db2.gz VJFHKBUFQSKLEP-PWSUYJOCSA-N 0 1 284.197 3.807 20 0 CHADMN C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+]1CC[C@@](C)(O)C1 ZINC000581515138 336092436 /nfs/dbraw/zinc/09/24/36/336092436.db2.gz BQOHWQQLMYOKFZ-INDWDQIESA-N 0 1 299.336 3.565 20 0 CHADMN C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)[O-] ZINC000581547947 336100157 /nfs/dbraw/zinc/10/01/57/336100157.db2.gz HVVCSCPRXDGWBC-BBRMVZONSA-N 0 1 289.419 3.527 20 0 CHADMN C[C@@H]1CCCCC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000383057159 336103819 /nfs/dbraw/zinc/10/38/19/336103819.db2.gz MKDIMJMLNIHGMR-LLVKDONJSA-N 0 1 253.773 3.810 20 0 CHADMN C[C@@H]1CCCCC[N@H+]1Cc1cccc([O-])c1Cl ZINC000383057159 336103821 /nfs/dbraw/zinc/10/38/21/336103821.db2.gz MKDIMJMLNIHGMR-LLVKDONJSA-N 0 1 253.773 3.810 20 0 CHADMN C[C@H]1CCC[N@H+](Cc2cccc([O-])c2Cl)CC1 ZINC000383087711 336103874 /nfs/dbraw/zinc/10/38/74/336103874.db2.gz VZNNMBVSMJTLLY-NSHDSACASA-N 0 1 253.773 3.668 20 0 CHADMN C[C@H]1CCC[N@@H+](Cc2cccc([O-])c2Cl)CC1 ZINC000383087711 336103875 /nfs/dbraw/zinc/10/38/75/336103875.db2.gz VZNNMBVSMJTLLY-NSHDSACASA-N 0 1 253.773 3.668 20 0 CHADMN C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1ccc2c(n1)CCC2 ZINC000581652971 336118201 /nfs/dbraw/zinc/11/82/01/336118201.db2.gz NRCUEDVCGPAJHL-DGCLKSJQSA-N 0 1 298.352 3.733 20 0 CHADMN Cc1nnsc1CN[C@H](C)c1cc2c(s1)CCCC2 ZINC000384267113 336123122 /nfs/dbraw/zinc/12/31/22/336123122.db2.gz QQRKILKEUVRIPC-SECBINFHSA-N 0 1 293.461 3.638 20 0 CHADMN C[C@@H]1C[C@H](NCc2c(Cl)cccc2Cl)[C@@H](C)O1 ZINC000384541593 336125330 /nfs/dbraw/zinc/12/53/30/336125330.db2.gz DZERBFJHPPKZIO-KKFJDGPESA-N 0 1 274.191 3.649 20 0 CHADMN CC(C)[C@H]1CCC[N@@H+](Cc2csc(C(=O)[O-])c2)CC1 ZINC000581671872 336126211 /nfs/dbraw/zinc/12/62/11/336126211.db2.gz MPJRKTHFLBWEER-ZDUSSCGKSA-N 0 1 281.421 3.704 20 0 CHADMN Cc1nc(CN[C@H]2CCCc3ccc(C)cc32)[nH]c1C ZINC000581677500 336127642 /nfs/dbraw/zinc/12/76/42/336127642.db2.gz CKZMWHGXWHTMBB-INIZCTEOSA-N 0 1 269.392 3.502 20 0 CHADMN CCc1nc([C@H](C)N[C@@H]2CC[C@H](C)c3ccsc32)n[nH]1 ZINC000581708356 336132708 /nfs/dbraw/zinc/13/27/08/336132708.db2.gz DCHMTDBPNIMHNN-JBLDHEPKSA-N 0 1 290.436 3.718 20 0 CHADMN CC(C)(C)c1cnc(CNc2ccc3nc[nH]c3c2)s1 ZINC000581716388 336136003 /nfs/dbraw/zinc/13/60/03/336136003.db2.gz BHKVEIXQUAPTAC-UHFFFAOYSA-N 0 1 286.404 3.929 20 0 CHADMN O=C([O-])C[N@@H+](CCCCc1ccccc1)Cc1ccccc1 ZINC000581731521 336139344 /nfs/dbraw/zinc/13/93/44/336139344.db2.gz DXQGXRAKWUMBMT-UHFFFAOYSA-N 0 1 297.398 3.596 20 0 CHADMN C[N@@H+](CCC1=CCCCC1)Cc1ccc(C(=O)[O-])cc1 ZINC000385155837 336141116 /nfs/dbraw/zinc/14/11/16/336141116.db2.gz KTTOUCRJPPFUPS-UHFFFAOYSA-N 0 1 273.376 3.707 20 0 CHADMN COc1cccc([C@H](C)NCc2cccc(C)c2F)c1 ZINC000385166171 336141346 /nfs/dbraw/zinc/14/13/46/336141346.db2.gz OGPNKDHQVIHXCA-ZDUSSCGKSA-N 0 1 273.351 3.994 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN(CC)CCC1CC1 ZINC000385665694 336153833 /nfs/dbraw/zinc/15/38/33/336153833.db2.gz DEPQKTAOPVKOBC-UHFFFAOYSA-N 0 1 289.419 3.910 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(C2CCCCC2)no1 ZINC000386448610 336174797 /nfs/dbraw/zinc/17/47/97/336174797.db2.gz LMLKZPQXPWQELG-LBPRGKRZSA-N 0 1 265.401 3.814 20 0 CHADMN CC[C@H](CSc1ccccc1)NCc1nc(C)c(C)[nH]1 ZINC000581954641 336179085 /nfs/dbraw/zinc/17/90/85/336179085.db2.gz GAHPXFXTFCHUPF-CQSZACIVSA-N 0 1 289.448 3.687 20 0 CHADMN CC1(C)CCN(Cc2ncccc2C(F)(F)F)CC1 ZINC000353439828 520380156 /nfs/dbraw/zinc/38/01/56/520380156.db2.gz JIPPSLZHXSETKB-UHFFFAOYSA-N 0 1 272.314 3.722 20 0 CHADMN CCCCN(CC)Cc1cnc(Br)s1 ZINC000289397309 520480024 /nfs/dbraw/zinc/48/00/24/520480024.db2.gz RQDZPKZCMYCMTP-UHFFFAOYSA-N 0 1 277.231 3.528 20 0 CHADMN CCC(=O)CCN(C)Cc1ccccc1C(F)(F)F ZINC000190172984 521074297 /nfs/dbraw/zinc/07/42/97/521074297.db2.gz QQMQXTJWIHICCD-UHFFFAOYSA-N 0 1 273.298 3.506 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000086776139 521562757 /nfs/dbraw/zinc/56/27/57/521562757.db2.gz VXXDCZVYVUVLOG-SNVBAGLBSA-N 0 1 289.297 3.563 20 0 CHADMN CCSc1cc(CN[C@H](C)c2cncs2)ccn1 ZINC000275141498 521734366 /nfs/dbraw/zinc/73/43/66/521734366.db2.gz RMLDUTUSGJERAA-SNVBAGLBSA-N 0 1 279.434 3.501 20 0 CHADMN Cc1cc(CN[C@H](C)Cc2ccc(C(F)(F)F)cc2)no1 ZINC000344460412 533730949 /nfs/dbraw/zinc/73/09/49/533730949.db2.gz QLAQCQDZAMZOJW-SNVBAGLBSA-N 0 1 298.308 3.723 20 0 CHADMN C[C@@H]1C[C@H](CN(Cc2ccco2)Cc2ccco2)CCO1 ZINC000352743456 533839002 /nfs/dbraw/zinc/83/90/02/533839002.db2.gz IBSXTUXZOCOKSA-HUUCEWRRSA-N 0 1 289.375 3.690 20 0 CHADMN CCc1ncc(CN[C@H](C)c2ccccc2OC)s1 ZINC000037923829 522556950 /nfs/dbraw/zinc/55/69/50/522556950.db2.gz QBQRAHGCMMIIJV-LLVKDONJSA-N 0 1 276.405 3.565 20 0 CHADMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)nc1 ZINC000336228234 533940744 /nfs/dbraw/zinc/94/07/44/533940744.db2.gz RQUXCKLBVKYCJB-VXGBXAGGSA-N 0 1 272.314 3.553 20 0 CHADMN COc1ccccc1/C=C\CN(C)[C@@H](C)c1ccccn1 ZINC000350360993 533957494 /nfs/dbraw/zinc/95/74/94/533957494.db2.gz URDQQKLLSHRXQI-WWRUEGTHSA-N 0 1 282.387 3.796 20 0 CHADMN C[C@H]1CN(Cc2cscc2Br)C[C@@H]1C ZINC000347856575 533963479 /nfs/dbraw/zinc/96/34/79/533963479.db2.gz OHGNLGDFATXIJH-IUCAKERBSA-N 0 1 274.227 3.598 20 0 CHADMN C[C@@H]1CCN(Cc2cc(O)cc(C(F)(F)F)c2)[C@H]1C ZINC000356109789 534038930 /nfs/dbraw/zinc/03/89/30/534038930.db2.gz AKTRWRVQBXAVAC-ZJUUUORDSA-N 0 1 273.298 3.641 20 0 CHADMN C[C@@H](c1cc(Cl)ccc1Cl)N(C)C1CC(O)C1 ZINC000353486102 534042772 /nfs/dbraw/zinc/04/27/72/534042772.db2.gz XARSTWXJBXTSSV-PUSIOWJLSA-N 0 1 274.191 3.510 20 0 CHADMN C[C@H](O)CCCN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000354926658 534053687 /nfs/dbraw/zinc/05/36/87/534053687.db2.gz UZQXJUSFOVSVPS-SWLSCSKDSA-N 0 1 299.867 3.591 20 0 CHADMN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1Cc1ccncc1 ZINC000354824925 534059973 /nfs/dbraw/zinc/05/99/73/534059973.db2.gz BWSGBJIMYDNZCD-OLZOCXBDSA-N 0 1 270.351 3.729 20 0 CHADMN C[C@@H]1CC[C@@H](CN(Cc2ccco2)Cc2ccccc2)O1 ZINC000354889168 534157564 /nfs/dbraw/zinc/15/75/64/534157564.db2.gz IJEUUMFLZGSTHV-QAPCUYQASA-N 0 1 285.387 3.849 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1csc(Br)c1 ZINC000354993858 534227229 /nfs/dbraw/zinc/22/72/29/534227229.db2.gz PPNNSTLRBZJZQV-DTORHVGOSA-N 0 1 274.227 3.883 20 0 CHADMN COC(=O)c1csc([C@@H](C)NCc2cscc2C)c1 ZINC000353610542 534336153 /nfs/dbraw/zinc/33/61/53/534336153.db2.gz WPQXYXYSOJVKPT-SNVBAGLBSA-N 0 1 295.429 3.755 20 0 CHADMN Brc1ccsc1CN1CCC2(CCC2)C1 ZINC000307248783 518227223 /nfs/dbraw/zinc/22/72/23/518227223.db2.gz IEUQEOSAOMMLRX-UHFFFAOYSA-N 0 1 286.238 3.887 20 0 CHADMN CC(C)(C)C(C)(C)CN[C@@H](c1ncc[nH]1)c1cccnc1 ZINC000340403705 518596075 /nfs/dbraw/zinc/59/60/75/518596075.db2.gz IYGCFXSNSSXIOB-CQSZACIVSA-N 0 1 286.423 3.556 20 0 CHADMN CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2CCC(=O)[O-])cc1 ZINC000236609290 519047398 /nfs/dbraw/zinc/04/73/98/519047398.db2.gz QZZDJMCFGFBZIW-HNNXBMFYSA-N 0 1 275.392 3.596 20 0 CHADMN CC(C)(C)c1ncc(CNCc2cccs2)s1 ZINC000059180810 519111263 /nfs/dbraw/zinc/11/12/63/519111263.db2.gz XAAVTQRPHKOABM-UHFFFAOYSA-N 0 1 266.435 3.792 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2ccc(C(C)C)cc2)n1 ZINC000339398948 519227019 /nfs/dbraw/zinc/22/70/19/519227019.db2.gz XJGGVCGUHRXAPK-CQSZACIVSA-N 0 1 273.380 3.906 20 0 CHADMN CC(C)C[C@@H](N)c1noc(CCC2CCCCC2)n1 ZINC000339384401 519230568 /nfs/dbraw/zinc/23/05/68/519230568.db2.gz IENCIJJDLUHQIR-CYBMUJFWSA-N 0 1 265.401 3.628 20 0 CHADMN CC(C)C[C@@H](N)c1noc(/C=C\c2ccccc2Cl)n1 ZINC000339394951 519231037 /nfs/dbraw/zinc/23/10/37/519231037.db2.gz RLMWEYVFTYDMDD-MEJMFZKBSA-N 0 1 291.782 3.939 20 0 CHADMN CC(C)C[C@H](C)NCc1ncc(C(F)(F)F)s1 ZINC000278585350 519317289 /nfs/dbraw/zinc/31/72/89/519317289.db2.gz GHFZGMBQNDCFBJ-QMMMGPOBSA-N 0 1 266.332 3.686 20 0 CHADMN C=Cc1ccc(CCN[C@H](C)c2cc(C)on2)cc1 ZINC000291160992 519317140 /nfs/dbraw/zinc/31/71/40/519317140.db2.gz JBLSBYASJOTFSM-CYBMUJFWSA-N 0 1 256.349 3.519 20 0 CHADMN CC(C)(NCc1cccc(O)c1)c1ccccc1F ZINC000291826453 519325841 /nfs/dbraw/zinc/32/58/41/519325841.db2.gz ZTDVWFQKFDAPCX-UHFFFAOYSA-N 0 1 259.324 3.556 20 0 CHADMN CC(C)C[C@H](N)c1noc(C[C@H](C)c2ccc(F)cc2)n1 ZINC000339398981 519376398 /nfs/dbraw/zinc/37/63/98/519376398.db2.gz XSAARPDASXVBIH-FZMZJTMJSA-N 0 1 291.370 3.601 20 0 CHADMN CC(C)C[C@H](N)c1noc(C[C@H]2CCCc3ccccc32)n1 ZINC000339397251 519377480 /nfs/dbraw/zinc/37/74/80/519377480.db2.gz RKQUBJCYUNLWLB-ZBFHGGJFSA-N 0 1 299.418 3.778 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2C[C@@H]2C2CCCCC2)n1 ZINC000339388773 519378686 /nfs/dbraw/zinc/37/86/86/519378686.db2.gz ALWQMBXEVCDBSB-MCIONIFRSA-N 0 1 277.412 3.799 20 0 CHADMN CC(C)C1(CN[C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000128020331 519554258 /nfs/dbraw/zinc/55/42/58/519554258.db2.gz BUVCYNHATVTMKJ-HNNXBMFYSA-N 0 1 269.392 3.525 20 0 CHADMN CC(C)N(Cc1ccco1)C(=O)c1ccc(O)c(Cl)c1 ZINC000271116357 519660447 /nfs/dbraw/zinc/66/04/47/519660447.db2.gz KCAKEBNGRFAORV-UHFFFAOYSA-N 0 1 293.750 3.689 20 0 CHADMN CC(C)OCCCN(C)Cc1cc(-c2cccs2)on1 ZINC000265835532 519761949 /nfs/dbraw/zinc/76/19/49/519761949.db2.gz FAMBTGXSCLKTIC-UHFFFAOYSA-N 0 1 294.420 3.650 20 0 CHADMN CC(C)OCCCN(C)Cc1sccc1Cl ZINC000338548224 519762445 /nfs/dbraw/zinc/76/24/45/519762445.db2.gz HECBWSXCIBHRLK-UHFFFAOYSA-N 0 1 261.818 3.648 20 0 CHADMN CC(C)c1cc(C(=O)N(C)[C@H](C)c2ccccc2F)n[nH]1 ZINC000052487357 519831225 /nfs/dbraw/zinc/83/12/25/519831225.db2.gz FKWIJDHACMGQDD-LLVKDONJSA-N 0 1 289.354 3.505 20 0 CHADMN CC(C)c1ccc(NC(=O)c2ccc(CN(C)C)nc2)cc1 ZINC000339232356 519837741 /nfs/dbraw/zinc/83/77/41/519837741.db2.gz LVDADFAZUIKWAA-UHFFFAOYSA-N 0 1 297.402 3.519 20 0 CHADMN CC(C)c1ccc([C@@H](C)NC(=O)[C@@H](N)c2ccccc2)cc1 ZINC000236693268 519839170 /nfs/dbraw/zinc/83/91/70/519839170.db2.gz PWPIKEYABMQFQS-KDOFPFPSSA-N 0 1 296.414 3.687 20 0 CHADMN CCC1(NCc2csc(COc3ccccc3)n2)CC1 ZINC000294875507 519845984 /nfs/dbraw/zinc/84/59/84/519845984.db2.gz VDZLGOXGYXMTGV-UHFFFAOYSA-N 0 1 288.416 3.754 20 0 CHADMN CC(C)c1cnc(CN[C@H]2CCC[C@H]2OC(F)F)s1 ZINC000337285788 519850723 /nfs/dbraw/zinc/85/07/23/519850723.db2.gz KFWJJRJKQNJPCH-VHSXEESVSA-N 0 1 290.379 3.516 20 0 CHADMN CC(C)c1ncc(CN2CCC(OCC3CC3)CC2)s1 ZINC000354116621 519874068 /nfs/dbraw/zinc/87/40/68/519874068.db2.gz NTOACNZFHMWPSL-UHFFFAOYSA-N 0 1 294.464 3.658 20 0 CHADMN CCCCC(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC000299142237 519915416 /nfs/dbraw/zinc/91/54/16/519915416.db2.gz PDOMUDLGDWOCPC-UHFFFAOYSA-N 0 1 286.379 3.724 20 0 CHADMN CC(C)n1nccc1CN[C@@H]1CCCc2ccc(F)cc21 ZINC000279649064 520109959 /nfs/dbraw/zinc/10/99/59/520109959.db2.gz DUJVQLQGQGUNKS-QGZVFWFLSA-N 0 1 287.382 3.770 20 0 CHADMN CCOC[C@@H]1CCN(c2cc(C)nc3ccc(F)cc32)C1 ZINC000128502441 520133397 /nfs/dbraw/zinc/13/33/97/520133397.db2.gz TZBRUMNJKIDUQC-CYBMUJFWSA-N 0 1 288.366 3.545 20 0 CHADMN CCN(C(C)=O)c1nc(CNC(CC)(CC)CC)cs1 ZINC000086642236 520135638 /nfs/dbraw/zinc/13/56/38/520135638.db2.gz AQQLYFRQFUVTBT-UHFFFAOYSA-N 0 1 297.468 3.574 20 0 CHADMN CCCCCCc1csc([C@H]2CN3CCC[C@H]3CO2)n1 ZINC000364837879 520135983 /nfs/dbraw/zinc/13/59/83/520135983.db2.gz ICYBTXRVAVYDHW-LSDHHAIUSA-N 0 1 294.464 3.802 20 0 CHADMN CCOCc1ccccc1CN[C@H](C)c1ccco1 ZINC000037762226 520216839 /nfs/dbraw/zinc/21/68/39/520216839.db2.gz XRSJUJGATVVNJG-CYBMUJFWSA-N 0 1 259.349 3.667 20 0 CHADMN CCCOc1ccc(C(C)(C)NCc2conc2C)cc1 ZINC000339385546 520340823 /nfs/dbraw/zinc/34/08/23/520340823.db2.gz QTRPVTIGTQXBCI-UHFFFAOYSA-N 0 1 288.391 3.797 20 0 CHADMN CCCOc1ccc(CN[C@@H](C)c2ccccn2)cc1 ZINC000020123835 520372474 /nfs/dbraw/zinc/37/24/74/520372474.db2.gz XKCXZWZSUPIBFS-AWEZNQCLSA-N 0 1 270.376 3.721 20 0 CHADMN CCCOc1ccc([C@@H](C)N[C@H](C)c2ccnn2C)cc1 ZINC000278152240 520417489 /nfs/dbraw/zinc/41/74/89/520417489.db2.gz AEWQRAMHNWJUFA-ZIAGYGMSSA-N 0 1 287.407 3.621 20 0 CHADMN CC1(C)CN(Cc2ccc3ccccc3n2)[C@@H]1[C@@H]1CCCO1 ZINC000289772725 520479460 /nfs/dbraw/zinc/47/94/60/520479460.db2.gz MENRGEBUWAMSSI-ZWKOTPCHSA-N 0 1 296.414 3.624 20 0 CHADMN CC1(C)CN(Cc2cnc3ccccc3c2)[C@H]1[C@H]1CCCO1 ZINC000289730585 520486891 /nfs/dbraw/zinc/48/68/91/520486891.db2.gz KCEDMUQODCQJHN-MSOLQXFVSA-N 0 1 296.414 3.624 20 0 CHADMN CCO[C@H](CC[NH2+]Cc1cccc([O-])c1Cl)C(C)C ZINC000339290326 520510888 /nfs/dbraw/zinc/51/08/88/520510888.db2.gz MZPPRWCTVWXPJL-CQSZACIVSA-N 0 1 285.815 3.586 20 0 CHADMN CCOC(=O)CC(C)(C)N(C)Cc1sccc1Cl ZINC000338571159 520609986 /nfs/dbraw/zinc/60/99/86/520609986.db2.gz OSHQGXLNMZFWOH-UHFFFAOYSA-N 0 1 289.828 3.565 20 0 CHADMN CC1(C)SC[C@@H]1NCc1ncc(-c2ccccc2)s1 ZINC000338474807 520622144 /nfs/dbraw/zinc/62/21/44/520622144.db2.gz LAUGNKAVQODLMS-ZDUSSCGKSA-N 0 1 290.457 3.794 20 0 CHADMN CCC[C@@]1(C)CCCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000338570854 520951272 /nfs/dbraw/zinc/95/12/72/520951272.db2.gz CKHPLDJMPDGJME-SFHVURJKSA-N 0 1 299.418 3.914 20 0 CHADMN CCOc1ccc(CN(C)[C@H](C)c2cccnc2)cc1F ZINC000278822020 520964641 /nfs/dbraw/zinc/96/46/41/520964641.db2.gz YCPYDYPWJZVPOG-CYBMUJFWSA-N 0 1 288.366 3.812 20 0 CHADMN Cc1oc(-c2cccs2)nc1CN[C@H]1CSC[C@H]1C ZINC000352791624 534532157 /nfs/dbraw/zinc/53/21/57/534532157.db2.gz IPNUOUWHEMYLKM-SKDRFNHKSA-N 0 1 294.445 3.553 20 0 CHADMN CCC[C@H](N[C@H](C)c1nccs1)[C@H](O)c1ccccc1 ZINC000280170986 521175656 /nfs/dbraw/zinc/17/56/56/521175656.db2.gz RDFVPPCIXITTPT-VHDGCEQUSA-N 0 1 290.432 3.696 20 0 CHADMN CCOc1cccc(CN[C@@H](C)c2ccccc2OC)c1 ZINC000037678239 521370841 /nfs/dbraw/zinc/37/08/41/521370841.db2.gz KKWGRQGPJATNST-AWEZNQCLSA-N 0 1 285.387 3.945 20 0 CHADMN CCCc1ccc(-c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000339363900 521388427 /nfs/dbraw/zinc/38/84/27/521388427.db2.gz RLPQMEITLMMZRK-AWEZNQCLSA-N 0 1 273.380 3.735 20 0 CHADMN CCOc1cccc(NC(=O)c2cc(C)cc3cn[nH]c32)c1 ZINC000338671332 521395966 /nfs/dbraw/zinc/39/59/66/521395966.db2.gz ALTQNIGGNSKACR-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN CCN(Cc1ncnn1-c1ccccc1)[C@H]1CCCC[C@@H]1C ZINC000337207672 521461517 /nfs/dbraw/zinc/46/15/17/521461517.db2.gz PAHTVWCWZLKKFS-RDJZCZTQSA-N 0 1 298.434 3.668 20 0 CHADMN CCC(CC)(OC)c1noc(-c2cc(Cl)ccc2O)n1 ZINC000227834059 521477113 /nfs/dbraw/zinc/47/71/13/521477113.db2.gz WLFLSOATHWXKAK-UHFFFAOYSA-N 0 1 296.754 3.757 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])[C@H](C)c1cc(Cl)ccc1Cl ZINC000086775976 521563956 /nfs/dbraw/zinc/56/39/56/521563956.db2.gz RYCBHEJWSYBYBE-SECBINFHSA-N 0 1 290.190 3.851 20 0 CHADMN CCOc1ccccc1[C@@H](CC(C)C)NCc1c[nH]cn1 ZINC000072756830 521575997 /nfs/dbraw/zinc/57/59/97/521575997.db2.gz VEMNMNHSQQRUDR-MRXNPFEDSA-N 0 1 287.407 3.685 20 0 CHADMN CCOc1ccccc1[C@@H](CC(C)C)NCc1cnc[nH]1 ZINC000072756830 521576002 /nfs/dbraw/zinc/57/60/02/521576002.db2.gz VEMNMNHSQQRUDR-MRXNPFEDSA-N 0 1 287.407 3.685 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1ccnn1C(C)C ZINC000279864116 521583692 /nfs/dbraw/zinc/58/36/92/521583692.db2.gz JESCDBUCJMAJEX-AWEZNQCLSA-N 0 1 287.407 3.714 20 0 CHADMN CCCn1nc(C)c(CN2CCC[C@H]2c2ccncc2)c1C ZINC000289897069 521667970 /nfs/dbraw/zinc/66/79/70/521667970.db2.gz UAWRAEUXRCFZHD-SFHVURJKSA-N 0 1 298.434 3.642 20 0 CHADMN CCCN(Cc1csc(C)n1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000340853394 521693360 /nfs/dbraw/zinc/69/33/60/521693360.db2.gz VSFPPZUYXJHMEH-CABCVRRESA-N 0 1 296.480 3.867 20 0 CHADMN CCSCCN(Cc1ccco1)Cc1ccc(O)cc1 ZINC000340834180 521706639 /nfs/dbraw/zinc/70/66/39/521706639.db2.gz OCRYPDLCUPEAGC-UHFFFAOYSA-N 0 1 291.416 3.741 20 0 CHADMN CCS[C@@H](C)c1noc(CN[C@@H]2CCCCC2(C)C)n1 ZINC000119826515 521721850 /nfs/dbraw/zinc/72/18/50/521721850.db2.gz YNPFCYARTFDDKF-NWDGAFQWSA-N 0 1 297.468 3.942 20 0 CHADMN CCc1cccc2c1OCC[C@H]2NCc1ccnn1C(C)C ZINC000280841572 521801269 /nfs/dbraw/zinc/80/12/69/521801269.db2.gz KRMSPCIKWUIIES-QGZVFWFLSA-N 0 1 299.418 3.640 20 0 CHADMN CC[C@@H](C(=O)Nc1c(C)n[nH]c1C(F)F)c1ccccc1 ZINC000279956868 521861572 /nfs/dbraw/zinc/86/15/72/521861572.db2.gz XYVDDPJCHQCHHN-LLVKDONJSA-N 0 1 293.317 3.788 20 0 CHADMN COCC[C@H](NCc1ccsc1C)c1ccc(C)o1 ZINC000339342256 521974732 /nfs/dbraw/zinc/97/47/32/521974732.db2.gz PVDOQLCUOFQTMO-AWEZNQCLSA-N 0 1 279.405 3.825 20 0 CHADMN COC(=O)c1ccc(CN(C)[C@@H](C)c2ccccc2C)o1 ZINC000340638804 522001750 /nfs/dbraw/zinc/00/17/50/522001750.db2.gz PWWVXYPAZVMQFH-ZDUSSCGKSA-N 0 1 287.359 3.568 20 0 CHADMN COC(=O)c1ccc(CN(C)[C@H](C)c2ccccc2C)o1 ZINC000340638800 522003470 /nfs/dbraw/zinc/00/34/70/522003470.db2.gz PWWVXYPAZVMQFH-CYBMUJFWSA-N 0 1 287.359 3.568 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2cccc3cc[nH]c32)n[nH]1 ZINC000277471906 522051043 /nfs/dbraw/zinc/05/10/43/522051043.db2.gz RNJLSXYJEVEVMM-RYUDHWBXSA-N 0 1 297.406 3.650 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2ccc(F)cc2)n[nH]1 ZINC000277345208 522054286 /nfs/dbraw/zinc/05/42/86/522054286.db2.gz VHCNYLOVOZWOBI-QJPTWQEYSA-N 0 1 290.386 3.869 20 0 CHADMN CCc1cnccc1[C@H](C)NCc1cc(OC)ccc1F ZINC000339336293 522090789 /nfs/dbraw/zinc/09/07/89/522090789.db2.gz IUAKWSFFLOPXOQ-LBPRGKRZSA-N 0 1 288.366 3.643 20 0 CHADMN CCc1nc(C)c(CN[C@@H](CC)c2cccc(F)c2)o1 ZINC000291959442 522208472 /nfs/dbraw/zinc/20/84/72/522208472.db2.gz RRFXDFFQLZGHNV-AWEZNQCLSA-N 0 1 276.355 3.925 20 0 CHADMN CCc1nc(C)c(CN[C@H](CC)c2ccc(F)cc2)o1 ZINC000291941905 522211385 /nfs/dbraw/zinc/21/13/85/522211385.db2.gz PXVAEFZUKLBAJY-CQSZACIVSA-N 0 1 276.355 3.925 20 0 CHADMN COc1cc(C)c([C@@H](C)NCc2c(C)noc2C)cc1C ZINC000273210243 522225411 /nfs/dbraw/zinc/22/54/11/522225411.db2.gz SZEFOJUSHOUWAG-GFCCVEGCSA-N 0 1 288.391 3.768 20 0 CHADMN COc1cc(C)ccc1CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000119864836 522265346 /nfs/dbraw/zinc/26/53/46/522265346.db2.gz ZFNHCQKOIFFNJD-CYBMUJFWSA-N 0 1 299.370 3.583 20 0 CHADMN CCc1nc(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)cs1 ZINC000292765836 522359004 /nfs/dbraw/zinc/35/90/04/522359004.db2.gz SGJILPADJINBKH-MQMHXKEQSA-N 0 1 290.407 3.880 20 0 CHADMN COC[C@@H](NCc1ccc(C)nc1)c1ccc(Cl)cc1 ZINC000278730992 522359861 /nfs/dbraw/zinc/35/98/61/522359861.db2.gz LTWFRKFGHHZHAT-MRXNPFEDSA-N 0 1 290.794 3.521 20 0 CHADMN COC[C@@H](NCc1ccsc1C)c1ccc(F)c(F)c1 ZINC000293229576 522367712 /nfs/dbraw/zinc/36/77/12/522367712.db2.gz KOEGAERSDNZSRS-OAHLLOKOSA-N 0 1 297.370 3.812 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H]2CCC(C)(C)c3ccccc32)n[nH]1 ZINC000280932283 522421257 /nfs/dbraw/zinc/42/12/57/522421257.db2.gz RUPWWTFVCNVQRA-IUODEOHRSA-N 0 1 298.434 3.830 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccc(C)c(C)c2)n[nH]1 ZINC000276768320 522438426 /nfs/dbraw/zinc/43/84/26/522438426.db2.gz AYSFTJDZGMYHRH-BXUZGUMPSA-N 0 1 286.423 3.786 20 0 CHADMN Clc1ccc(-n2cc(CN3CCC34CCC4)cn2)cc1 ZINC000353671550 534636955 /nfs/dbraw/zinc/63/69/55/534636955.db2.gz OHBAIQUTXWPFRA-UHFFFAOYSA-N 0 1 287.794 3.654 20 0 CHADMN Cc1cnc([C@H](C)N2CC[C@H](c3ccc(F)cc3)C2)o1 ZINC000336484812 534644831 /nfs/dbraw/zinc/64/48/31/534644831.db2.gz VTIQUNZQQDEFCQ-JSGCOSHPSA-N 0 1 274.339 3.673 20 0 CHADMN CCc1ncc(CN(C)[C@@H](C)c2ccccc2)s1 ZINC000264519276 522551025 /nfs/dbraw/zinc/55/10/25/522551025.db2.gz DKINGGVRXNRBCH-LBPRGKRZSA-N 0 1 260.406 3.899 20 0 CHADMN CC[C@H](N[C@@H](C)c1cc(C)ccn1)c1c(C)nn(C)c1C ZINC000353526373 522695456 /nfs/dbraw/zinc/69/54/56/522695456.db2.gz AJUNLKDRAIJIJG-WFASDCNBSA-N 0 1 286.423 3.542 20 0 CHADMN COC1CCN(Cc2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000275487929 522704680 /nfs/dbraw/zinc/70/46/80/522704680.db2.gz YDBBUWQNKWLZCJ-UHFFFAOYSA-N 0 1 297.826 3.738 20 0 CHADMN COC[C@H](NCc1ccsc1C)c1ccc(F)c(F)c1 ZINC000293229573 522754430 /nfs/dbraw/zinc/75/44/30/522754430.db2.gz KOEGAERSDNZSRS-HNNXBMFYSA-N 0 1 297.370 3.812 20 0 CHADMN CCc1nnc(SC[C@@H](OC(C)C)c2ccccc2)[nH]1 ZINC000291555601 522782552 /nfs/dbraw/zinc/78/25/52/522782552.db2.gz BPKGIFRJJHQLFV-CYBMUJFWSA-N 0 1 291.420 3.626 20 0 CHADMN CCc1n[nH]c(SC[C@@H](OC(C)C)c2ccccc2)n1 ZINC000291555601 522782563 /nfs/dbraw/zinc/78/25/63/522782563.db2.gz BPKGIFRJJHQLFV-CYBMUJFWSA-N 0 1 291.420 3.626 20 0 CHADMN CC[C@@H](NCc1cc[nH]c1)c1cc(F)ccc1F ZINC000086254909 522872554 /nfs/dbraw/zinc/87/25/54/522872554.db2.gz BRGKDPSKNBEUDW-CQSZACIVSA-N 0 1 250.292 3.534 20 0 CHADMN CCc1noc(CC)c1CNCc1ccc2occc2c1 ZINC000286309444 522894574 /nfs/dbraw/zinc/89/45/74/522894574.db2.gz CVVMIOCQABLXOI-UHFFFAOYSA-N 0 1 284.359 3.835 20 0 CHADMN CCc1noc([C@H](C)N[C@@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000133776379 522916338 /nfs/dbraw/zinc/91/63/38/522916338.db2.gz RYOQERRXYDGYQW-NWANDNLSSA-N 0 1 285.391 3.619 20 0 CHADMN COCC1=CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000275047524 522923230 /nfs/dbraw/zinc/92/32/30/522923230.db2.gz ZGTZMMVKLGUIRI-LBPRGKRZSA-N 0 1 265.784 3.680 20 0 CHADMN CN(CCSC1CCCCC1)Cc1ccco1 ZINC000337309185 522924959 /nfs/dbraw/zinc/92/49/59/522924959.db2.gz YXBUFTWBXGMRBB-UHFFFAOYSA-N 0 1 253.411 3.777 20 0 CHADMN CC[C@@H](N[C@H](C)c1n[nH]c(C(C)C)n1)c1cccc(F)c1 ZINC000275916590 522941371 /nfs/dbraw/zinc/94/13/71/522941371.db2.gz VJCYRZKTOPQEDA-BXUZGUMPSA-N 0 1 290.386 3.869 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1cn(C(C)C)nc1C ZINC000290551519 522967762 /nfs/dbraw/zinc/96/77/62/522967762.db2.gz RVEHVYIXCSVLFH-QGZVFWFLSA-N 0 1 286.423 3.751 20 0 CHADMN COCc1ccc(CN[C@H](C)c2cccc(C)c2C)o1 ZINC000128245337 522994711 /nfs/dbraw/zinc/99/47/11/522994711.db2.gz BXMYTHJCHFCIIX-CQSZACIVSA-N 0 1 273.376 3.894 20 0 CHADMN COCc1cccc(CNCc2ccc(Cl)cc2F)c1 ZINC000157302532 523052569 /nfs/dbraw/zinc/05/25/69/523052569.db2.gz BWPPCBHCRMEOTQ-UHFFFAOYSA-N 0 1 293.769 3.915 20 0 CHADMN COCc1cccc(CN[C@@H](C)c2ccc(Cl)cn2)c1 ZINC000274933490 523057175 /nfs/dbraw/zinc/05/71/75/523057175.db2.gz RISLISULCWMKRG-LBPRGKRZSA-N 0 1 290.794 3.732 20 0 CHADMN CC[C@H]1CCCN1CC(=O)Nc1c(C)cccc1C(C)C ZINC000340676702 523104493 /nfs/dbraw/zinc/10/44/93/523104493.db2.gz CHAIBPVWZCWFDV-HNNXBMFYSA-N 0 1 288.435 3.931 20 0 CHADMN CC[C@H]1CCCN1Cc1cc(Br)ccc1OC ZINC000049595379 523108520 /nfs/dbraw/zinc/10/85/20/523108520.db2.gz LWODSKLUEFNVIH-ZDUSSCGKSA-N 0 1 298.224 3.832 20 0 CHADMN COCCCCCN1CCc2cc(OC)c(Cl)cc2C1 ZINC000293176868 523114347 /nfs/dbraw/zinc/11/43/47/523114347.db2.gz PLSZQGWUCHQKHX-UHFFFAOYSA-N 0 1 297.826 3.523 20 0 CHADMN CC[C@@H]1CCCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000253543397 523255860 /nfs/dbraw/zinc/25/58/60/523255860.db2.gz WMKPTRXYJUIJSZ-ZIAGYGMSSA-N 0 1 299.418 3.909 20 0 CHADMN CCn1cc(CN(C)[C@@H](C)c2ccc(Cl)cc2)cn1 ZINC000072983071 523366540 /nfs/dbraw/zinc/36/65/40/523366540.db2.gz XQJSPLFZPADTGT-LBPRGKRZSA-N 0 1 277.799 3.749 20 0 CHADMN CN(Cc1ccon1)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000275735120 523483451 /nfs/dbraw/zinc/48/34/51/523483451.db2.gz QAMDBROURZMXMU-DLBZAZTESA-N 0 1 270.376 3.617 20 0 CHADMN CCn1nc(CNCc2ccccc2C)c2ccccc21 ZINC000089174151 523679846 /nfs/dbraw/zinc/67/98/46/523679846.db2.gz AXWDENSJZOFTLR-UHFFFAOYSA-N 0 1 279.387 3.654 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1ccc(C)nc1 ZINC000062051066 523858536 /nfs/dbraw/zinc/85/85/36/523858536.db2.gz CENQVCXVAWIADG-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1ncc(CN[C@@H]2c3cccc(F)c3CC[C@@H]2C)o1 ZINC000335277414 534745100 /nfs/dbraw/zinc/74/51/00/534745100.db2.gz KMVVOQIEDMBLSY-QFYYESIMSA-N 0 1 274.339 3.535 20 0 CHADMN CCc1ccc([C@@H](C)NCc2cn3ccsc3n2)cc1 ZINC000112259615 524025843 /nfs/dbraw/zinc/02/58/43/524025843.db2.gz FLYZCPTWEIOZOQ-GFCCVEGCSA-N 0 1 285.416 3.809 20 0 CHADMN CCc1ccc([C@@H](C)NCc2ncccc2N(C)C)cc1 ZINC000289908849 524026075 /nfs/dbraw/zinc/02/60/75/524026075.db2.gz UHZXQCSZRQURHK-CQSZACIVSA-N 0 1 283.419 3.561 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H]2CCc3c2cccc3O)o1 ZINC000130688793 524027295 /nfs/dbraw/zinc/02/72/95/524027295.db2.gz LOCAUURGFXJHEW-IAQYHMDHSA-N 0 1 271.360 3.886 20 0 CHADMN CCc1ccc([C@H]2CCCCN2Cc2ccnc(N)c2)o1 ZINC000299198354 524053682 /nfs/dbraw/zinc/05/36/82/524053682.db2.gz FQKHUQJXCKLHME-OAHLLOKOSA-N 0 1 285.391 3.546 20 0 CHADMN COc1ccc(CN[C@H](C)c2cccc(Cl)c2)cc1O ZINC000020124167 524089627 /nfs/dbraw/zinc/08/96/27/524089627.db2.gz OTAHGXABUGXYTM-LLVKDONJSA-N 0 1 291.778 3.905 20 0 CHADMN COc1cccc([C@@H](C)NCc2ccc3c(n2)CCCC3)c1 ZINC000278158709 524090561 /nfs/dbraw/zinc/09/05/61/524090561.db2.gz AFOOATRUUHJMAQ-CQSZACIVSA-N 0 1 296.414 3.820 20 0 CHADMN Cc1csc(-c2ccc(NCc3[nH]ncc3C)cc2)n1 ZINC000352849596 534761260 /nfs/dbraw/zinc/76/12/60/534761260.db2.gz XBIRBCCDZFVTEA-UHFFFAOYSA-N 0 1 284.388 3.762 20 0 CHADMN COc1ccc(F)c(CN[C@@H](C)c2ccc3n[nH]cc3c2)c1 ZINC000339397977 524279010 /nfs/dbraw/zinc/27/90/10/524279010.db2.gz QWHATAMBWUCCOH-NSHDSACASA-N 0 1 299.349 3.561 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N1Cc1nc2cc(F)ccc2o1 ZINC000151021337 524279560 /nfs/dbraw/zinc/27/95/60/524279560.db2.gz CSWHUTAVEYXAPR-GHMZBOCLSA-N 0 1 262.328 3.730 20 0 CHADMN Cc1ccc(CN(Cc2cccnc2)C2CC2)s1 ZINC000290345186 524419384 /nfs/dbraw/zinc/41/93/84/524419384.db2.gz FRISZBVMIZTEMK-UHFFFAOYSA-N 0 1 258.390 3.616 20 0 CHADMN Cc1cc(C)cc([C@H](C)NCc2cnc([C@H](C)O)s2)c1 ZINC000290473977 524469460 /nfs/dbraw/zinc/46/94/60/524469460.db2.gz UXPPDFAAERQXLE-STQMWFEESA-N 0 1 290.432 3.664 20 0 CHADMN Cc1cccc(N(C(=O)c2ccc3cncn3c2)C(C)C)c1 ZINC000340747968 524508935 /nfs/dbraw/zinc/50/89/35/524508935.db2.gz UHQRXLJSOKOUPF-UHFFFAOYSA-N 0 1 293.370 3.698 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(Cl)s2)cn1 ZINC000062051213 524591300 /nfs/dbraw/zinc/59/13/00/524591300.db2.gz HMRFYTZAXBZWDP-JTQLQIEISA-N 0 1 266.797 3.956 20 0 CHADMN Cc1cccc(NC[C@@H]2CCO[C@H]2c2ccccc2)n1 ZINC000277151479 524678405 /nfs/dbraw/zinc/67/84/05/524678405.db2.gz KVNBEWUUDPPNFE-RDJZCZTQSA-N 0 1 268.360 3.580 20 0 CHADMN Cc1cc(CN2C[C@H](C)C[C@@H]2c2ccccc2F)ncn1 ZINC000292513012 524712308 /nfs/dbraw/zinc/71/23/08/524712308.db2.gz NMMLADDQTNXWDR-SJKOYZFVSA-N 0 1 285.366 3.507 20 0 CHADMN COc1ccccc1[C@@H](C)N[C@H](C)c1cncs1 ZINC000128459519 524725634 /nfs/dbraw/zinc/72/56/34/524725634.db2.gz HDORGLOMACNZOI-GHMZBOCLSA-N 0 1 262.378 3.564 20 0 CHADMN Cc1cccc(OCCCN[C@@H](C)c2nccs2)c1C ZINC000279394136 524734377 /nfs/dbraw/zinc/73/43/77/524734377.db2.gz CINZOCGDRSGTOG-AWEZNQCLSA-N 0 1 290.432 3.880 20 0 CHADMN Cc1cc(CNC2(c3ccccc3F)CC2)cc(C)c1O ZINC000289373543 524752493 /nfs/dbraw/zinc/75/24/93/524752493.db2.gz APNZWRYVFNQTOJ-UHFFFAOYSA-N 0 1 285.362 3.927 20 0 CHADMN Cc1cc(CN[C@@H](C)c2ccc(C(F)(F)F)cc2)ncn1 ZINC000292827946 524765519 /nfs/dbraw/zinc/76/55/19/524765519.db2.gz MKVDRUWUCCNRIW-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)ncn1 ZINC000292380368 524768921 /nfs/dbraw/zinc/76/89/21/524768921.db2.gz HKMBZPSIBJSMFA-INIZCTEOSA-N 0 1 287.382 3.801 20 0 CHADMN Cc1cc(CN[C@@H]2CCCCc3ccccc32)on1 ZINC000044985668 524769866 /nfs/dbraw/zinc/76/98/66/524769866.db2.gz DXQXCNPDHKBXKT-MRXNPFEDSA-N 0 1 256.349 3.540 20 0 CHADMN COc1ccncc1CNCc1ccc(C(C)(C)C)s1 ZINC000292600278 524857038 /nfs/dbraw/zinc/85/70/38/524857038.db2.gz HFRRTLOUSOZNQS-UHFFFAOYSA-N 0 1 290.432 3.739 20 0 CHADMN COc1ccncc1CN[C@H](C)c1cc(C)ccc1C ZINC000340402357 524858610 /nfs/dbraw/zinc/85/86/10/524858610.db2.gz DRMCPZZACUKARD-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN Cc1cccc([C@H](C)N[C@H]2C[C@@H](C)n3ccnc32)c1C ZINC000297526667 524876829 /nfs/dbraw/zinc/87/68/29/524876829.db2.gz DHUHMNGGXPBRPW-INWMFGNUSA-N 0 1 269.392 3.857 20 0 CHADMN COc1cncc(CN(Cc2ccco2)C2CCCC2)c1 ZINC000290395564 524919896 /nfs/dbraw/zinc/91/98/96/524919896.db2.gz SPVJNMRIGSMKRG-UHFFFAOYSA-N 0 1 286.375 3.628 20 0 CHADMN C[C@H]1C[C@H](NCc2cccnc2)c2ccsc2S1 ZINC000130167406 524927036 /nfs/dbraw/zinc/92/70/36/524927036.db2.gz BIUIPFIRQBUTPS-GWCFXTLKSA-N 0 1 276.430 3.858 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)c1cc[nH]c1C1CC1 ZINC000336556314 534820565 /nfs/dbraw/zinc/82/05/65/534820565.db2.gz SIGBHUDUQLDFAH-UHFFFAOYSA-N 0 1 294.713 3.643 20 0 CHADMN O=C(Nc1cc(F)cc(Cl)c1O)c1ccoc1Cl ZINC000336463414 534821238 /nfs/dbraw/zinc/82/12/38/534821238.db2.gz RITDJVBCMNXBSC-UHFFFAOYSA-N 0 1 290.077 3.683 20 0 CHADMN COc1ncc(CN(C)[C@@H](C)c2cc(C)ccc2C)c(C)n1 ZINC000337131197 525003350 /nfs/dbraw/zinc/00/33/50/525003350.db2.gz JPANTTARTAJYBN-HNNXBMFYSA-N 0 1 299.418 3.603 20 0 CHADMN Cc1ccccc1/C=C/c1nc([C@H](N)CC(C)C)no1 ZINC000339394905 525039446 /nfs/dbraw/zinc/03/94/46/525039446.db2.gz QXTJVCSSUHEKIC-MYSGNRETSA-N 0 1 271.364 3.594 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccccc2F)cc1F ZINC000019950624 525153926 /nfs/dbraw/zinc/15/39/26/525153926.db2.gz KJQILEPYIPAKME-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN Cc1cc(NCc2ccco2)c2cc(F)ccc2n1 ZINC000119707103 525279387 /nfs/dbraw/zinc/27/93/87/525279387.db2.gz RFSUFGMZURRJQC-UHFFFAOYSA-N 0 1 256.280 3.887 20 0 CHADMN Cc1cc(N[C@@H](C)[C@H]2CCOC2)c2cc(F)ccc2n1 ZINC000278657812 525293371 /nfs/dbraw/zinc/29/33/71/525293371.db2.gz FBIGIZPHPPGGDH-RYUDHWBXSA-N 0 1 274.339 3.519 20 0 CHADMN Cc1ccc(N[C@H](c2cccs2)c2nnc[nH]2)cc1F ZINC000340315092 525319266 /nfs/dbraw/zinc/31/92/66/525319266.db2.gz VNJFAWIYUZDMJT-CYBMUJFWSA-N 0 1 288.351 3.515 20 0 CHADMN Cc1ccccc1[C@@H](C)Cc1nc([C@@H](N)CC(C)C)no1 ZINC000339395130 525346224 /nfs/dbraw/zinc/34/62/24/525346224.db2.gz KLNUDCCTVBTYSU-ZFWWWQNUSA-N 0 1 287.407 3.770 20 0 CHADMN C[C@H](NCCF)c1ccc(SCC(F)F)cc1 ZINC000281024347 525346807 /nfs/dbraw/zinc/34/68/07/525346807.db2.gz MNLSBTHAVQORMY-VIFPVBQESA-N 0 1 263.328 3.664 20 0 CHADMN C[C@H](NCC[C@H](O)c1ccccc1)c1c(F)cccc1F ZINC000299728973 525362642 /nfs/dbraw/zinc/36/26/42/525362642.db2.gz WAARYJASEIHQOO-LRDDRELGSA-N 0 1 291.341 3.739 20 0 CHADMN Cc1ccccc1[C@H](CC(C)C)NCc1nccn1C ZINC000264871110 525424318 /nfs/dbraw/zinc/42/43/18/525424318.db2.gz RRQAAWCYQGDVBC-INIZCTEOSA-N 0 1 271.408 3.606 20 0 CHADMN C[C@H](NCc1ccc(CO)o1)c1cc2ccccc2s1 ZINC000266243723 525440293 /nfs/dbraw/zinc/44/02/93/525440293.db2.gz YHHYKAYOWPTAAN-NSHDSACASA-N 0 1 287.384 3.837 20 0 CHADMN Cc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263575965 525441050 /nfs/dbraw/zinc/44/10/50/525441050.db2.gz PTORNXSWFAXQDG-KRWDZBQOSA-N 0 1 295.382 3.683 20 0 CHADMN C[C@@H]1C[C@H](c2cccc(F)c2)N(Cc2cncs2)C1 ZINC000093531763 525461928 /nfs/dbraw/zinc/46/19/28/525461928.db2.gz BJABJYJPPNBNID-IAQYHMDHSA-N 0 1 276.380 3.865 20 0 CHADMN Cc1cc([C@@H](C)NCc2cn3ccccc3n2)c(C)s1 ZINC000042322393 525468351 /nfs/dbraw/zinc/46/83/51/525468351.db2.gz BOHQVQWPVWOKRV-GFCCVEGCSA-N 0 1 285.416 3.863 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)c2cnn(C)c2C)cs1 ZINC000294263550 525471935 /nfs/dbraw/zinc/47/19/35/525471935.db2.gz RCTQPPWKQPHSDB-MNOVXSKESA-N 0 1 263.410 3.510 20 0 CHADMN C[C@H](NCc1ncccc1N(C)C)c1cccc(C2CC2)c1 ZINC000340395400 525489388 /nfs/dbraw/zinc/48/93/88/525489388.db2.gz LOUSQIOFJKMDOD-AWEZNQCLSA-N 0 1 295.430 3.876 20 0 CHADMN Cc1cccnc1[C@H](NCc1ccnn1C(C)C)C(C)C ZINC000280914709 525552935 /nfs/dbraw/zinc/55/29/35/525552935.db2.gz PJKQALVXARVFSD-MRXNPFEDSA-N 0 1 286.423 3.654 20 0 CHADMN COc1ccc2c(c1)[C@@H](NCc1cccc(C)c1)CCO2 ZINC000037230849 525576903 /nfs/dbraw/zinc/57/69/03/525576903.db2.gz UAUGAQYXMSMPMO-KRWDZBQOSA-N 0 1 283.371 3.617 20 0 CHADMN CSCSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000292641928 525603503 /nfs/dbraw/zinc/60/35/03/525603503.db2.gz LPTNGXXQUPGMDE-UHFFFAOYSA-N 0 1 250.392 3.798 20 0 CHADMN C[C@@H](N[C@@H]1CCc2c1cccc2O)c1ccc(Cl)cn1 ZINC000274871342 525650684 /nfs/dbraw/zinc/65/06/84/525650684.db2.gz FRQBECXRKRTTHA-MEBBXXQBSA-N 0 1 288.778 3.779 20 0 CHADMN Cc1ccc([C@@H](C)[N@@H+](C)CCCCC(=O)[O-])c(C)c1 ZINC000262253459 525687925 /nfs/dbraw/zinc/68/79/25/525687925.db2.gz PYYSYPHNHRPAGM-CQSZACIVSA-N 0 1 263.381 3.551 20 0 CHADMN CSCc1ccc(CN[C@@H](C)c2ccncc2F)cc1 ZINC000340397235 525730948 /nfs/dbraw/zinc/73/09/48/525730948.db2.gz VCALCMPQEBQKOB-LBPRGKRZSA-N 0 1 290.407 3.935 20 0 CHADMN CSCc1cccc(CNCc2occc2C)c1 ZINC000275596683 525739272 /nfs/dbraw/zinc/73/92/72/525739272.db2.gz KCAQLOPNNGAQLS-UHFFFAOYSA-N 0 1 261.390 3.741 20 0 CHADMN CSCc1cccc(CN[C@@H](C)c2cncs2)c1 ZINC000275709977 525740357 /nfs/dbraw/zinc/74/03/57/525740357.db2.gz LYSYORQQBVNYRV-NSHDSACASA-N 0 1 278.446 3.857 20 0 CHADMN Cc1ccncc1CN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000353653083 525742866 /nfs/dbraw/zinc/74/28/66/525742866.db2.gz SETZGWBYTUXPBM-XJKSGUPXSA-N 0 1 270.376 3.956 20 0 CHADMN Cc1ccncc1CN[C@H](C)c1cnc2ccsc2c1 ZINC000162644378 525749951 /nfs/dbraw/zinc/74/99/51/525749951.db2.gz PPQBCKLSEJQLMR-GFCCVEGCSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1ccncc1[C@H](C)N[C@H]1CCOc2ccccc21 ZINC000271615070 525768255 /nfs/dbraw/zinc/76/82/55/525768255.db2.gz WKGZXXRSIVYVJF-BBRMVZONSA-N 0 1 268.360 3.564 20 0 CHADMN Cc1ccoc1CNCc1ccc(N2CCCCCC2)nc1 ZINC000266234715 525803570 /nfs/dbraw/zinc/80/35/70/525803570.db2.gz VNHMHCQDKFVBDN-UHFFFAOYSA-N 0 1 299.418 3.653 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cc3nccs3)C2)c(C)c1 ZINC000280341944 525830776 /nfs/dbraw/zinc/83/07/76/525830776.db2.gz HSWMBNORJNRYGV-CQSZACIVSA-N 0 1 272.417 3.749 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)N(Cc3cn(C(C)C)nn3)C2)cc1 ZINC000289916541 525854680 /nfs/dbraw/zinc/85/46/80/525854680.db2.gz YFLCXCBLVZOAGN-DOTOQJQBSA-N 0 1 298.434 3.545 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000271599097 525889137 /nfs/dbraw/zinc/88/91/37/525889137.db2.gz ZICGNFABMBBTJL-QWRGUYRKSA-N 0 1 278.425 3.710 20 0 CHADMN Cc1ccc([C@H](NCc2nccn2C)C2CCCC2)cc1 ZINC000275809165 525970703 /nfs/dbraw/zinc/97/07/03/525970703.db2.gz DSSBVEXSODFTRL-GOSISDBHSA-N 0 1 283.419 3.750 20 0 CHADMN Cc1cnc(C2CCN(Cc3cccc(O)c3)CC2)s1 ZINC000277467017 525987552 /nfs/dbraw/zinc/98/75/52/525987552.db2.gz LSKSTFBAJRNSOM-UHFFFAOYSA-N 0 1 288.416 3.537 20 0 CHADMN Cc1cnc(CN(Cc2ccccc2)[C@@H](C)C2CC2)o1 ZINC000075636851 526009842 /nfs/dbraw/zinc/00/98/42/526009842.db2.gz MMKRBTFAXMHYML-AWEZNQCLSA-N 0 1 270.376 3.784 20 0 CHADMN Cc1cnc(CN2CCC[C@@H]2CCCc2ccccc2)nc1 ZINC000340691438 526016497 /nfs/dbraw/zinc/01/64/97/526016497.db2.gz MJXCCUSGHYYTOC-SFHVURJKSA-N 0 1 295.430 3.772 20 0 CHADMN Cc1cnc(CN2CCC[C@H]2c2ccccc2C)o1 ZINC000075642793 526020176 /nfs/dbraw/zinc/02/01/76/526020176.db2.gz CHJIVLOLKUWTFS-HNNXBMFYSA-N 0 1 256.349 3.629 20 0 CHADMN Cc1cnc(CN2CC[C@@H](c3ccccc3F)C2)s1 ZINC000339380247 526022974 /nfs/dbraw/zinc/02/29/74/526022974.db2.gz WFLGKPUUSQBFOY-GFCCVEGCSA-N 0 1 276.380 3.580 20 0 CHADMN Cc1ccc([C@H]2CSCCN2Cc2ccncc2)cc1 ZINC000130628666 526033019 /nfs/dbraw/zinc/03/30/19/526033019.db2.gz AEWXJMURRKKAFU-QGZVFWFLSA-N 0 1 284.428 3.680 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(OC(C)(C)C)cc1 ZINC000289461395 526033485 /nfs/dbraw/zinc/03/34/85/526033485.db2.gz IDBBTRDGVOCZQX-UHFFFAOYSA-N 0 1 259.353 3.508 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccc(F)cc2F)c1 ZINC000034993088 526036356 /nfs/dbraw/zinc/03/63/56/526036356.db2.gz FZGDZVSDEKUSBQ-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccc(OC)cc2F)c1 ZINC000037680583 526036497 /nfs/dbraw/zinc/03/64/97/526036497.db2.gz CPSRIJJWKAPPJX-GFCCVEGCSA-N 0 1 289.350 3.694 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccncc1 ZINC000130191238 526044898 /nfs/dbraw/zinc/04/48/98/526044898.db2.gz SFNWMMOAYUGQHW-LBPRGKRZSA-N 0 1 260.768 3.928 20 0 CHADMN C[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@@H](O)CC1 ZINC000293179612 526052259 /nfs/dbraw/zinc/05/22/59/526052259.db2.gz PQPVEXGYCPBNCJ-ZYHUDNBSSA-N 0 1 288.218 3.901 20 0 CHADMN CSc1ccc([C@@H](C)NCc2n[nH]c(C(C)C)n2)cc1 ZINC000293000338 526060927 /nfs/dbraw/zinc/06/09/27/526060927.db2.gz ZDGMHBFMNPXQKM-LLVKDONJSA-N 0 1 290.436 3.501 20 0 CHADMN C[C@H](c1ccc(F)cc1)N(C)Cc1ccc(F)cn1 ZINC000276361882 526061183 /nfs/dbraw/zinc/06/11/83/526061183.db2.gz MMUGIFWMQJQPDS-LLVKDONJSA-N 0 1 262.303 3.553 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCCCC(=O)[O-] ZINC000062015247 526071544 /nfs/dbraw/zinc/07/15/44/526071544.db2.gz SMISNQNXFQCZGI-NSHDSACASA-N 0 1 269.772 3.588 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226398773 526071818 /nfs/dbraw/zinc/07/18/18/526071818.db2.gz UHCQBRMKYFPRNJ-CXAGYDPISA-N 0 1 283.371 3.697 20 0 CHADMN C[C@@H](c1ccccc1Cl)N1CCC2(CC1)OCCCO2 ZINC000293199442 526103401 /nfs/dbraw/zinc/10/34/01/526103401.db2.gz XREFMBCOJAIYDF-ZDUSSCGKSA-N 0 1 295.810 3.630 20 0 CHADMN CSc1cccc(N(C)C(=O)c2cccc3[nH]ncc32)c1 ZINC000338390306 526106488 /nfs/dbraw/zinc/10/64/88/526106488.db2.gz YVAMTETVBHFCNS-UHFFFAOYSA-N 0 1 297.383 3.561 20 0 CHADMN C[C@@H](c1nc2ccccc2n1C(F)F)N1CC[C@@H](C)C1 ZINC000299628907 526172558 /nfs/dbraw/zinc/17/25/58/526172558.db2.gz KUNZMRHVQYWWMP-MNOVXSKESA-N 0 1 279.334 3.834 20 0 CHADMN CSc1ccccc1NC(=O)c1cc(C)cc2cn[nH]c21 ZINC000338642593 526174788 /nfs/dbraw/zinc/17/47/88/526174788.db2.gz YGZJTCHRKNTWLV-UHFFFAOYSA-N 0 1 297.383 3.846 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3ccc(O)cc31)CO2 ZINC000366069049 526193096 /nfs/dbraw/zinc/19/30/96/526193096.db2.gz QMTWSBVKARMILH-MSOLQXFVSA-N 0 1 295.382 3.801 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C(=O)CC3CCC3)[nH]c2c1 ZINC000079813872 526255882 /nfs/dbraw/zinc/25/58/82/526255882.db2.gz NWPWNQUYYGZQKR-MRXNPFEDSA-N 0 1 297.402 3.725 20 0 CHADMN Cc1ccc2ncc(CNC(C)(C)c3ccccc3F)n2c1 ZINC000291767991 526258887 /nfs/dbraw/zinc/25/88/87/526258887.db2.gz SIZQLYRHLNAEGX-UHFFFAOYSA-N 0 1 297.377 3.807 20 0 CHADMN FCCN[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000281028732 526285018 /nfs/dbraw/zinc/28/50/18/526285018.db2.gz MWPLRTGIXAHRRT-GFCCVEGCSA-N 0 1 276.380 3.747 20 0 CHADMN Fc1cc(Cl)cc(CN2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000275318958 526300044 /nfs/dbraw/zinc/30/00/44/526300044.db2.gz STDDXVSRHWLRTM-GFCCVEGCSA-N 0 1 293.773 3.582 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@H]2CCC(F)(F)C2)c1Cl ZINC000293165510 526358139 /nfs/dbraw/zinc/35/81/39/526358139.db2.gz FYGCJJJFGDEUOU-VIFPVBQESA-N 0 1 275.726 3.571 20 0 CHADMN Oc1cccc2c1CC[C@@H]2N[C@H]1CCCc2occc21 ZINC000036852581 526367856 /nfs/dbraw/zinc/36/78/56/526367856.db2.gz WSDKBFJIRAODAT-GJZGRUSLSA-N 0 1 269.344 3.640 20 0 CHADMN Cc1nnc([C@@H](C)N[C@@H](C)C(C)(C)c2ccccc2)s1 ZINC000275199206 526395489 /nfs/dbraw/zinc/39/54/89/526395489.db2.gz FNKCURVBZFUINZ-NEPJUHHUSA-N 0 1 289.448 3.863 20 0 CHADMN Cc1nnc([C@H](C)N[C@@H](C)C(C)(C)c2ccccc2)s1 ZINC000275199209 526404951 /nfs/dbraw/zinc/40/49/51/526404951.db2.gz FNKCURVBZFUINZ-RYUDHWBXSA-N 0 1 289.448 3.863 20 0 CHADMN c1c[nH]c([C@H](NCC2CCCCC2)c2ccccc2)n1 ZINC000275564602 526408308 /nfs/dbraw/zinc/40/83/08/526408308.db2.gz ADVQRHIJXSZDRD-MRXNPFEDSA-N 0 1 269.392 3.669 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3CCCC(F)(F)C3)ccc12 ZINC000282857806 526537213 /nfs/dbraw/zinc/53/72/13/526537213.db2.gz WZUGLUKYZRQYPD-SNVBAGLBSA-N 0 1 293.317 3.635 20 0 CHADMN Cc1n[nH]cc1CN[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000037878783 526554794 /nfs/dbraw/zinc/55/47/94/526554794.db2.gz NXMYWFNELOLJEQ-QMMMGPOBSA-N 0 1 284.190 3.876 20 0 CHADMN c1coc(CN[C@@H]2CCCc3c4ccccc4[nH]c32)c1 ZINC000087816013 526567903 /nfs/dbraw/zinc/56/79/03/526567903.db2.gz QEZTXILOXAMMAJ-MRXNPFEDSA-N 0 1 266.344 3.928 20 0 CHADMN c1coc([C@H]2CCCCCN2Cc2cccnc2)c1 ZINC000077177043 526571357 /nfs/dbraw/zinc/57/13/57/526571357.db2.gz IRUWFDOYIGSRFQ-OAHLLOKOSA-N 0 1 256.349 3.792 20 0 CHADMN c1csc(-c2noc(CN3CCC[C@H]3C3CCC3)n2)c1 ZINC000264019924 526575945 /nfs/dbraw/zinc/57/59/45/526575945.db2.gz WCPMWVKAQZERBW-LBPRGKRZSA-N 0 1 289.404 3.563 20 0 CHADMN Cc1noc([C@@H]2CCCCN2C[C@H](C)Cc2ccccc2)n1 ZINC000289743088 526650384 /nfs/dbraw/zinc/65/03/84/526650384.db2.gz IPFHWLUUOCQOKL-PBHICJAKSA-N 0 1 299.418 3.784 20 0 CHADMN Cc1nocc1CNC(C)(C)c1cccc(Cl)c1 ZINC000339271697 526690087 /nfs/dbraw/zinc/69/00/87/526690087.db2.gz STLCBNBNGLYNDW-UHFFFAOYSA-N 0 1 264.756 3.661 20 0 CHADMN Cc1nocc1CN[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000339289991 526695631 /nfs/dbraw/zinc/69/56/31/526695631.db2.gz GDJYAGCDEXLEMP-ZDUSSCGKSA-N 0 1 293.370 3.896 20 0 CHADMN Cc1nocc1CN[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000293507401 526698961 /nfs/dbraw/zinc/69/89/61/526698961.db2.gz HTTPXHKFQSWCLF-QLJPJBMISA-N 0 1 274.339 3.535 20 0 CHADMN Cc1nc(C)c(CN(C)Cc2ccccc2C)s1 ZINC000266037238 526714887 /nfs/dbraw/zinc/71/48/87/526714887.db2.gz UBZIDKKXANWVDG-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN CC(C)(C)c1ccccc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000331786212 526796644 /nfs/dbraw/zinc/79/66/44/526796644.db2.gz GZFGEHHJNMNZLJ-HNNXBMFYSA-N 0 1 297.402 3.515 20 0 CHADMN Cc1nc(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)cs1 ZINC000292500472 526893959 /nfs/dbraw/zinc/89/39/59/526893959.db2.gz CILDOKIQEGLVJU-MQMHXKEQSA-N 0 1 276.380 3.626 20 0 CHADMN Cc1sccc1CN[C@H]1CSc2ccccc21 ZINC000339268405 526921104 /nfs/dbraw/zinc/92/11/04/526921104.db2.gz CQTVGEGSKCHIHL-ZDUSSCGKSA-N 0 1 261.415 3.993 20 0 CHADMN Cc1sccc1CN[C@H]1c2ccccc2O[C@H]1C ZINC000293027784 526921470 /nfs/dbraw/zinc/92/14/70/526921470.db2.gz RGYBCQPRLYYSRY-ZUZCIYMTSA-N 0 1 259.374 3.668 20 0 CHADMN Cc1nc(Cc2ccccc2)sc1[C@H](C)NCCF ZINC000281026464 526928216 /nfs/dbraw/zinc/92/82/16/526928216.db2.gz MQJGKNNCYFXKQN-NSHDSACASA-N 0 1 278.396 3.662 20 0 CHADMN Clc1ccc2sc(CNC[C@@H]3CCC=CO3)nc2c1 ZINC000278835726 526971639 /nfs/dbraw/zinc/97/16/39/526971639.db2.gz JEAYGWCANXNOHA-NSHDSACASA-N 0 1 294.807 3.732 20 0 CHADMN Clc1ccsc1CN1CCC([C@@H]2CCCO2)CC1 ZINC000278763296 526993878 /nfs/dbraw/zinc/99/38/78/526993878.db2.gz UAOJLWUBLAGVKC-ZDUSSCGKSA-N 0 1 285.840 3.793 20 0 CHADMN Cc1nc2c(s1)[C@H](N[C@@H](C)c1cccc(O)c1)CCC2 ZINC000363783075 527113150 /nfs/dbraw/zinc/11/31/50/527113150.db2.gz MKFUNKHWRMHHNJ-IINYFYTJSA-N 0 1 288.416 3.885 20 0 CHADMN NC1(c2noc(-c3ccc(Cl)cc3F)n2)CCCCC1 ZINC000041153467 527133159 /nfs/dbraw/zinc/13/31/59/527133159.db2.gz MVMCBBVRAVSFLL-UHFFFAOYSA-N 0 1 295.745 3.647 20 0 CHADMN NC1(c2noc(-c3cccc(Cl)c3Cl)n2)CCCC1 ZINC000041153195 527134813 /nfs/dbraw/zinc/13/48/13/527134813.db2.gz HMIOVGRUUBWWRW-UHFFFAOYSA-N 0 1 298.173 3.771 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3ccc4ccoc4c3)c2[nH]1 ZINC000338610038 527156860 /nfs/dbraw/zinc/15/68/60/527156860.db2.gz QQAXKGJPKHPJSR-UHFFFAOYSA-N 0 1 291.310 3.870 20 0 CHADMN Cc1ncc(C(=O)N2CCCCC[C@@H]2c2cccc(C)c2)[nH]1 ZINC000339226238 527227296 /nfs/dbraw/zinc/22/72/96/527227296.db2.gz CFJSZGHDMIWIQX-QGZVFWFLSA-N 0 1 297.402 3.784 20 0 CHADMN Cc1nccc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000339208977 527339309 /nfs/dbraw/zinc/33/93/09/527339309.db2.gz HVOGPZYQMQYNDR-GOSISDBHSA-N 0 1 299.393 3.945 20 0 CHADMN Cn1ccc(CN[C@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000264548505 527358577 /nfs/dbraw/zinc/35/85/77/527358577.db2.gz XKGYWKFRZKWEEV-KRWDZBQOSA-N 0 1 287.382 3.580 20 0 CHADMN O=C(Nc1cccc2ccsc21)[C@H]1CCCc2[nH]ncc21 ZINC000337441500 527386883 /nfs/dbraw/zinc/38/68/83/527386883.db2.gz GHCJLMMJJVTFTH-NSHDSACASA-N 0 1 297.383 3.683 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H]1CCSc2ccccc21 ZINC000187769609 527458452 /nfs/dbraw/zinc/45/84/52/527458452.db2.gz NMKVMMAUPFWNDY-JSGCOSHPSA-N 0 1 285.416 3.673 20 0 CHADMN Cc1ncsc1CN(C)Cc1ccc(Cl)cc1 ZINC000066565907 527498265 /nfs/dbraw/zinc/49/82/65/527498265.db2.gz OOEGUEFLFFXMLK-UHFFFAOYSA-N 0 1 266.797 3.737 20 0 CHADMN Cc1ncsc1CN(C)[C@@H](C)c1ccc(C)cc1 ZINC000130815984 527500059 /nfs/dbraw/zinc/50/00/59/527500059.db2.gz MESPEPITYRYBML-ZDUSSCGKSA-N 0 1 260.406 3.953 20 0 CHADMN Cc1ncsc1CNC(C)(C)c1ccc(F)c(F)c1 ZINC000237660598 527511022 /nfs/dbraw/zinc/51/10/22/527511022.db2.gz WPWKZOMDYGWRBG-UHFFFAOYSA-N 0 1 282.359 3.755 20 0 CHADMN Cc1ncsc1CNCc1ccc(Br)cc1 ZINC000070836411 527511082 /nfs/dbraw/zinc/51/10/82/527511082.db2.gz AACOQHWTXPRABZ-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN OCC[C@H](NCc1ccccc1F)c1ccc(Cl)cc1 ZINC000287077259 527568982 /nfs/dbraw/zinc/56/89/82/527568982.db2.gz WDJAJHFZDIRSCY-INIZCTEOSA-N 0 1 293.769 3.692 20 0 CHADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000043585601 527597450 /nfs/dbraw/zinc/59/74/50/527597450.db2.gz RVQKZUGVOLMLHH-NSHDSACASA-N 0 1 299.773 3.556 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000043585600 527600785 /nfs/dbraw/zinc/60/07/85/527600785.db2.gz RVQKZUGVOLMLHH-LLVKDONJSA-N 0 1 299.773 3.556 20 0 CHADMN FC(F)(F)C1(CNCc2ncc(Cl)s2)CCC1 ZINC000353095809 527663033 /nfs/dbraw/zinc/66/30/33/527663033.db2.gz YBDDXUNQQUUNOO-UHFFFAOYSA-N 0 1 284.734 3.619 20 0 CHADMN CC(C)[C@H]1CN(Cc2cc(Cl)cs2)CCCO1 ZINC000354793631 527855627 /nfs/dbraw/zinc/85/56/27/527855627.db2.gz RSTZTJPBEZVLGY-CYBMUJFWSA-N 0 1 273.829 3.648 20 0 CHADMN CC(C)[C@H]1C[C@@H](Nc2cc3c(cn2)CCC3)CS1 ZINC000354540821 527873114 /nfs/dbraw/zinc/87/31/14/527873114.db2.gz NRJVVJWPKWXMLF-ZIAGYGMSSA-N 0 1 262.422 3.512 20 0 CHADMN CCC[C@H](C)CC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000354990898 528031052 /nfs/dbraw/zinc/03/10/52/528031052.db2.gz VPTIULBJVFPREC-JTQLQIEISA-N 0 1 259.353 3.636 20 0 CHADMN CC1=C[C@H](C)C[C@H](CN(C)Cc2cscn2)C1 ZINC000356082405 528142808 /nfs/dbraw/zinc/14/28/08/528142808.db2.gz HOWOBPRIDHSXGL-AAEUAGOBSA-N 0 1 250.411 3.567 20 0 CHADMN CCC(=O)CCCN1CCSC[C@H]1c1ccc(C)cc1 ZINC000347731479 528287258 /nfs/dbraw/zinc/28/72/58/528287258.db2.gz HXZMVFANYGSXFD-KRWDZBQOSA-N 0 1 291.460 3.844 20 0 CHADMN CC(C)C[C@@H](NCc1cc[nH]n1)c1ccc(Cl)cc1 ZINC000344515021 528359962 /nfs/dbraw/zinc/35/99/62/528359962.db2.gz CQNYSNQAGLPUOM-OAHLLOKOSA-N 0 1 277.799 3.940 20 0 CHADMN CC(C)n1cc(CN2CC[C@H](C(F)(F)F)C2(C)C)cn1 ZINC000347313414 528562910 /nfs/dbraw/zinc/56/29/10/528562910.db2.gz PDIVUDCIUYXYLK-LBPRGKRZSA-N 0 1 289.345 3.627 20 0 CHADMN CCCCOC1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC000353997447 528571297 /nfs/dbraw/zinc/57/12/97/528571297.db2.gz RHRWNFUCKDCBHH-UHFFFAOYSA-N 0 1 283.362 3.746 20 0 CHADMN CC(C)n1cccc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000353885414 528604464 /nfs/dbraw/zinc/60/44/64/528604464.db2.gz CMUCEOGDJPHHGU-UHFFFAOYSA-N 0 1 296.729 3.819 20 0 CHADMN CCOCCN(CC)Cc1cc(C(F)(F)F)ccc1F ZINC000352828191 528724352 /nfs/dbraw/zinc/72/43/52/528724352.db2.gz XQKHEQCYHAPICP-UHFFFAOYSA-N 0 1 293.304 3.703 20 0 CHADMN CCOc1ccccc1CNCc1cccc(C)c1 ZINC000020133858 528730530 /nfs/dbraw/zinc/73/05/30/528730530.db2.gz RYOOCPLKFPXQJZ-UHFFFAOYSA-N 0 1 255.361 3.684 20 0 CHADMN CCC(CC)[C@@H]1C[C@H](N[C@@H](C)c2cc(C)on2)CCO1 ZINC000353674514 528842145 /nfs/dbraw/zinc/84/21/45/528842145.db2.gz FIWJULQXGGAYMW-BJJXKVORSA-N 0 1 280.412 3.617 20 0 CHADMN CCC(CC)[C@H](C)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000353544795 528846658 /nfs/dbraw/zinc/84/66/58/528846658.db2.gz KBMHAZHCILMGSU-ZETCQYMHSA-N 0 1 273.327 3.667 20 0 CHADMN CC1(C)CCC[C@@H](C(=O)Nc2cccc(-c3nnc[nH]3)c2)C1 ZINC000332374443 528953402 /nfs/dbraw/zinc/95/34/02/528953402.db2.gz FWFWGXUWUUAFHK-CYBMUJFWSA-N 0 1 298.390 3.627 20 0 CHADMN CCO[C@@H](C)c1nc(CN2CCC[C@H]2C(C)C)cs1 ZINC000347056621 529103058 /nfs/dbraw/zinc/10/30/58/529103058.db2.gz ULWIBOWMUQJZLN-JSGCOSHPSA-N 0 1 282.453 3.861 20 0 CHADMN CC[C@H](c1ccccc1OC)N(C)Cc1cccc(C)n1 ZINC000347557029 529184526 /nfs/dbraw/zinc/18/45/26/529184526.db2.gz NFRZQXVZHAKDLS-QGZVFWFLSA-N 0 1 284.403 3.982 20 0 CHADMN CC[C@@H](N[C@@H](c1nccn1C)C1CC1)c1ccc(C)cc1 ZINC000353886842 529202686 /nfs/dbraw/zinc/20/26/86/529202686.db2.gz WGFFFKBTZUVNBH-IAGOWNOFSA-N 0 1 283.419 3.921 20 0 CHADMN CC[C@@H](N[C@H](c1nccn1C)C1CC1)c1cccs1 ZINC000353856432 529206830 /nfs/dbraw/zinc/20/68/30/529206830.db2.gz BFVVWXVAUNAYOK-OCCSQVGLSA-N 0 1 275.421 3.674 20 0 CHADMN CC[C@H]1CCCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000353706412 529217680 /nfs/dbraw/zinc/21/76/80/529217680.db2.gz GYXPOYNGRZCXOH-ZDUSSCGKSA-N 0 1 257.381 3.575 20 0 CHADMN CC[C@@H](c1ccccc1OC)N(C)Cc1ccc(C)cn1 ZINC000347572911 529258777 /nfs/dbraw/zinc/25/87/77/529258777.db2.gz ZHTVQYNYRMIQMZ-KRWDZBQOSA-N 0 1 284.403 3.982 20 0 CHADMN C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)c1c(F)cccc1F ZINC000087846642 597208372 /nfs/dbraw/zinc/20/83/72/597208372.db2.gz MGIGITWXTBJURZ-SNVBAGLBSA-N 0 1 291.297 3.514 20 0 CHADMN C[C@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)c1c(F)cccc1F ZINC000087846641 597208393 /nfs/dbraw/zinc/20/83/93/597208393.db2.gz MGIGITWXTBJURZ-JTQLQIEISA-N 0 1 291.297 3.514 20 0 CHADMN C[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)Cc2ccccc21 ZINC000736806033 599709678 /nfs/dbraw/zinc/70/96/78/599709678.db2.gz GXCAEUJYOWQGPF-PXAZEXFGSA-N 0 1 299.345 3.571 20 0 CHADMN CC[N@H+](Cc1cc(C(=O)[O-])co1)Cc1ccccc1Cl ZINC000580084380 599847111 /nfs/dbraw/zinc/84/71/11/599847111.db2.gz RTPXKQMTMQOBQE-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN CC[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccccc1Cl ZINC000580084380 599847112 /nfs/dbraw/zinc/84/71/12/599847112.db2.gz RTPXKQMTMQOBQE-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN Cc1ccc(C)c([C@H](C)[N@@H+](C)Cc2cc(C(=O)[O-])co2)c1 ZINC000568068714 599848892 /nfs/dbraw/zinc/84/88/92/599848892.db2.gz QFEDWDHOWTUQOG-ZDUSSCGKSA-N 0 1 287.359 3.788 20 0 CHADMN C[C@H]1CCC[C@H]([N@@H+](C)Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000071264909 600083232 /nfs/dbraw/zinc/08/32/32/600083232.db2.gz DBTLMLKGJWDFFI-FZMZJTMJSA-N 0 1 279.355 3.534 20 0 CHADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000071264927 600088198 /nfs/dbraw/zinc/08/81/98/600088198.db2.gz XLZJRWXIDDJCOI-MRXNPFEDSA-N 0 1 291.366 3.679 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@@H+](Cc2ccoc2C(=O)[O-])CC1 ZINC000079349479 600216304 /nfs/dbraw/zinc/21/63/04/600216304.db2.gz WRXFOHRAQFPWBQ-ZDUSSCGKSA-N 0 1 279.380 3.626 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@H]2c2ccco2)cc1 ZINC000740123258 600217914 /nfs/dbraw/zinc/21/79/14/600217914.db2.gz DKXCHSYHMQAHJB-HNNXBMFYSA-N 0 1 285.343 3.705 20 0 CHADMN O=C([O-])c1ccoc1C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000568061408 600262292 /nfs/dbraw/zinc/26/22/92/600262292.db2.gz FPXHLTKSSWUROD-ZDUSSCGKSA-N 0 1 289.331 3.688 20 0 CHADMN Cc1oc(C[N@H+]2CCCC3(CCCCC3)C2)cc1C(=O)[O-] ZINC000569981906 600337857 /nfs/dbraw/zinc/33/78/57/600337857.db2.gz XAECNLMBLBGSQO-UHFFFAOYSA-N 0 1 291.391 3.833 20 0 CHADMN Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000574093260 600433010 /nfs/dbraw/zinc/43/30/10/600433010.db2.gz LLIKRCZUGUVTAP-ZIAGYGMSSA-N 0 1 299.370 3.664 20 0 CHADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1ccc2oc3ccccc3c2c1 ZINC000739587713 600438937 /nfs/dbraw/zinc/43/89/37/600438937.db2.gz OWEUOMFTQSWZDS-OAHLLOKOSA-N 0 1 295.338 3.635 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC3(C2)CCCCCC3)o1 ZINC000566743118 600848098 /nfs/dbraw/zinc/84/80/98/600848098.db2.gz HPGZGGKMMGPRET-UHFFFAOYSA-N 0 1 291.391 3.914 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccoc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000828074987 601182984 /nfs/dbraw/zinc/18/29/84/601182984.db2.gz XZQZIKOPYALTSC-OAHLLOKOSA-N 0 1 285.343 3.561 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CCCC(=O)[O-] ZINC000175430935 601308208 /nfs/dbraw/zinc/30/82/08/601308208.db2.gz XZXHLNAIWAEODT-NEPJUHHUSA-N 0 1 283.799 3.629 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000830362493 601423014 /nfs/dbraw/zinc/42/30/14/601423014.db2.gz ALVPVLUREARNMP-YVEFUNNKSA-N 0 1 299.370 3.733 20 0 CHADMN O=C([O-])c1ccc(C[N@@H+](C2CC2)C2CCCCC2)cc1F ZINC000659786982 601618581 /nfs/dbraw/zinc/61/85/81/601618581.db2.gz YGWDBEHHKNKZNK-UHFFFAOYSA-N 0 1 291.366 3.821 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)cc1F ZINC000318282966 601624232 /nfs/dbraw/zinc/62/42/32/601624232.db2.gz LPODJFXGGIJRRE-HNNXBMFYSA-N 0 1 299.345 3.513 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000652405653 601628428 /nfs/dbraw/zinc/62/84/28/601628428.db2.gz KYAPGSYFHWTAGP-CYBMUJFWSA-N 0 1 279.405 3.519 20 0 CHADMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccsc2C(=O)[O-])C1 ZINC000593740032 601836206 /nfs/dbraw/zinc/83/62/06/601836206.db2.gz MXTHKPMHTLVJPL-NWDGAFQWSA-N 0 1 299.461 3.552 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccsc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000828463014 601836661 /nfs/dbraw/zinc/83/66/61/601836661.db2.gz OEJQSFIGKAJMQM-FZMZJTMJSA-N 0 1 287.384 3.639 20 0 CHADMN O=C([O-])c1sccc1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000833347797 601840297 /nfs/dbraw/zinc/84/02/97/601840297.db2.gz UCVFILRLNBQFGM-CYBMUJFWSA-N 0 1 291.347 3.532 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000833347797 601840299 /nfs/dbraw/zinc/84/02/99/601840299.db2.gz UCVFILRLNBQFGM-CYBMUJFWSA-N 0 1 291.347 3.532 20 0 CHADMN C[C@H]([NH2+]Cc1cccc(C(=O)[O-])c1)c1c(F)cccc1F ZINC000820148991 601851446 /nfs/dbraw/zinc/85/14/46/601851446.db2.gz SNYDZQYCORHTGW-JTQLQIEISA-N 0 1 291.297 3.514 20 0 CHADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])s1)C1CCCC1 ZINC000580719563 601949267 /nfs/dbraw/zinc/94/92/67/601949267.db2.gz GDYOSFDLVMCOCT-UHFFFAOYSA-N 0 1 267.394 3.599 20 0 CHADMN Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cc2ccoc2C(=O)[O-])c1 ZINC000568065736 602330501 /nfs/dbraw/zinc/33/05/01/602330501.db2.gz DJMYSKNMZHJPPD-INIZCTEOSA-N 0 1 299.370 3.932 20 0 CHADMN Cc1cc([C@@H](C)[N@@H+](C)Cc2ccc(F)cc2)oc1C(=O)[O-] ZINC000652375179 604381330 /nfs/dbraw/zinc/38/13/30/604381330.db2.gz KMEFDRKWPHNSDV-LLVKDONJSA-N 0 1 291.322 3.618 20 0 CHADMN Cc1cc([C@H](C)[N@H+](C)Cc2ccccc2F)oc1C(=O)[O-] ZINC000565104001 604383391 /nfs/dbraw/zinc/38/33/91/604383391.db2.gz LXVRLHCGZHAZRJ-NSHDSACASA-N 0 1 291.322 3.618 20 0 CHADMN Cc1cc([C@H](C)[N@@H+](C)Cc2ccccc2F)oc1C(=O)[O-] ZINC000565104001 604383394 /nfs/dbraw/zinc/38/33/94/604383394.db2.gz LXVRLHCGZHAZRJ-NSHDSACASA-N 0 1 291.322 3.618 20 0 CHADMN O=C([O-])c1cc(C[N@H+]2CCCCC[C@@H]2c2ccccc2)c[nH]1 ZINC000833780349 604593315 /nfs/dbraw/zinc/59/33/15/604593315.db2.gz VRUJRMRTVLNBMD-QGZVFWFLSA-N 0 1 298.386 3.830 20 0 CHADMN Cc1cccc(C2=CC[N@@H+](Cc3ccc(C(=O)[O-])o3)CC2)c1 ZINC000573213814 604848852 /nfs/dbraw/zinc/84/88/52/604848852.db2.gz STEKYPJZVRVCBE-UHFFFAOYSA-N 0 1 297.354 3.576 20 0 CHADMN C[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000223497553 604936169 /nfs/dbraw/zinc/93/61/69/604936169.db2.gz WRRMKDVFQWPTKA-QWHCGFSZSA-N 0 1 293.382 3.710 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000833545909 605058442 /nfs/dbraw/zinc/05/84/42/605058442.db2.gz BZYBQOKJOSBRDT-VXGBXAGGSA-N 0 1 277.364 3.551 20 0 CHADMN C[C@H](c1cccs1)[N@@H+](C)Cc1ccccc1CC(=O)[O-] ZINC000167713966 605063813 /nfs/dbraw/zinc/06/38/13/605063813.db2.gz WMIDJVVUUHDNAI-GFCCVEGCSA-N 0 1 289.400 3.568 20 0 CHADMN CC(C)[C@@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000581017636 605829123 /nfs/dbraw/zinc/82/91/23/605829123.db2.gz VQYBFMWUSIHGRS-SNVBAGLBSA-N 0 1 269.772 3.515 20 0 CHADMN C[C@@H](c1ccco1)[N@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000652389237 605830704 /nfs/dbraw/zinc/83/07/04/605830704.db2.gz GWMNHFTXQFLUAU-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000652389237 605830705 /nfs/dbraw/zinc/83/07/05/605830705.db2.gz GWMNHFTXQFLUAU-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN CC(C)[N@H+](Cc1ccco1)Cc1cc(C(=O)[O-])ccc1F ZINC000833497488 605832201 /nfs/dbraw/zinc/83/22/01/605832201.db2.gz DFFZIHKPFOPMIS-UHFFFAOYSA-N 0 1 291.322 3.528 20 0 CHADMN CC(C)[N@@H+](Cc1ccco1)Cc1cc(C(=O)[O-])ccc1F ZINC000833497488 605832206 /nfs/dbraw/zinc/83/22/06/605832206.db2.gz DFFZIHKPFOPMIS-UHFFFAOYSA-N 0 1 291.322 3.528 20 0 CHADMN C/C(=C/c1ccccc1)C[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC001602736451 971425830 /nfs/dbraw/zinc/42/58/30/971425830.db2.gz VWWFBEJOAXIQGF-SQFISAMPSA-N 0 1 287.403 3.667 20 0 CHADMN C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000086725459 949061369 /nfs/dbraw/zinc/06/13/69/949061369.db2.gz SBBPWASFVDBSBB-GFCCVEGCSA-N 0 1 287.334 3.717 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000086783895 949066876 /nfs/dbraw/zinc/06/68/76/949066876.db2.gz CWGRJJCUJFGKLL-MEDUHNTESA-N 0 1 297.345 3.603 20 0 CHADMN C[C@H](CCc1ccccc1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809060 949067287 /nfs/dbraw/zinc/06/72/87/949067287.db2.gz CFIFOPTVROPXNE-NVXWUHKLSA-N 0 1 289.419 3.585 20 0 CHADMN C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809057 949067564 /nfs/dbraw/zinc/06/75/64/949067564.db2.gz CFIFOPTVROPXNE-DOTOQJQBSA-N 0 1 289.419 3.585 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1cc(F)cc(F)c1F ZINC001137875394 1131427795 /nfs/dbraw/zinc/42/77/95/1131427795.db2.gz UNFMXGXJBGWFRN-CYBMUJFWSA-N 0 1 257.299 3.724 20 0 CHADMN CCCC[N@@H+](CCCC(=O)[O-])[C@@H]1CCC[C@H](C)C1 ZINC001589647629 949745112 /nfs/dbraw/zinc/74/51/12/949745112.db2.gz FBDDJQHJFFBQMB-UONOGXRCSA-N 0 1 255.402 3.532 20 0 CHADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCC1CCCCCC1 ZINC000263522081 950501930 /nfs/dbraw/zinc/50/19/30/950501930.db2.gz RKBNLBMYDLTLQA-ZFWWWQNUSA-N 0 1 267.413 3.532 20 0 CHADMN CC[C@H](N[C@H]1C[C@@H]1C(F)F)c1cc(F)ccc1F ZINC000348272343 1125459350 /nfs/dbraw/zinc/45/93/50/1125459350.db2.gz JXTONOUVRLWHFR-DLOVCJGASA-N 0 1 261.262 3.659 20 0 CHADMN CC[C@@H]1CCCN(Cc2nccn2Cc2ccccc2)C1 ZINC000127120886 1125459404 /nfs/dbraw/zinc/45/94/04/1125459404.db2.gz ANHJDWOJJKUGGH-MRXNPFEDSA-N 0 1 283.419 3.553 20 0 CHADMN C[C@H](C[N@H+]1CCCC[C@H]1CC(=O)[O-])C1CCCCC1 ZINC000381968029 951216103 /nfs/dbraw/zinc/21/61/03/951216103.db2.gz GHEZEQFAEKMSJH-HIFRSBDPSA-N 0 1 267.413 3.532 20 0 CHADMN C[N@H+](Cc1cccc(C(=O)[O-])c1Cl)CC1CCCC1 ZINC000381523747 971762172 /nfs/dbraw/zinc/76/21/72/971762172.db2.gz NJUCLLPAMNDFNV-UHFFFAOYSA-N 0 1 281.783 3.660 20 0 CHADMN CCC[N@@H+](Cc1cccc(C(=O)[O-])c1Cl)C(C)C ZINC000382250825 971805721 /nfs/dbraw/zinc/80/57/21/971805721.db2.gz XEEJNTBIUWOFRU-UHFFFAOYSA-N 0 1 269.772 3.659 20 0 CHADMN CCC[N@@H+](Cc1ccccc1)Cc1ccccc1CC(=O)[O-] ZINC000383546222 971875258 /nfs/dbraw/zinc/87/52/58/971875258.db2.gz FYRXCHQRCMEUKX-UHFFFAOYSA-N 0 1 297.398 3.726 20 0 CHADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC000662211000 954382280 /nfs/dbraw/zinc/38/22/80/954382280.db2.gz BYUDPPYEWOMJTJ-UKRRQHHQSA-N 0 1 289.419 3.669 20 0 CHADMN CC(C)(C)C[N@@H+](CCCc1ccc(Cl)cc1)CC(=O)[O-] ZINC000662228068 954397421 /nfs/dbraw/zinc/39/74/21/954397421.db2.gz TZDYEAJTORZWGU-UHFFFAOYSA-N 0 1 297.826 3.705 20 0 CHADMN CC1(C)CC[C@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000614827895 1125463946 /nfs/dbraw/zinc/46/39/46/1125463946.db2.gz BZMYANOLBIWZNJ-ZETCQYMHSA-N 0 1 271.719 3.559 20 0 CHADMN Cc1ccc(C[N@H+](CCCC(=O)[O-])CCCC(C)C)o1 ZINC000887068030 956252057 /nfs/dbraw/zinc/25/20/57/956252057.db2.gz DOEAAPKYDFSJFY-UHFFFAOYSA-N 0 1 281.396 3.691 20 0 CHADMN C[C@@H](C[N@@H+](C)C1(C(=O)[O-])CCCC1)C1CCCCC1 ZINC000388969626 972201212 /nfs/dbraw/zinc/20/12/12/972201212.db2.gz VKJDHFJUQYNZQU-ZDUSSCGKSA-N 0 1 267.413 3.532 20 0 CHADMN CCc1ccc2ccccc2c1C[N@H+](CC(=O)[O-])CC1CC1 ZINC000903407921 956830981 /nfs/dbraw/zinc/83/09/81/956830981.db2.gz BBLXTORNQYCPRI-UHFFFAOYSA-N 0 1 297.398 3.699 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000032145068 957173625 /nfs/dbraw/zinc/17/36/25/957173625.db2.gz OTOPEUVVAHPSPZ-HNNXBMFYSA-N 0 1 289.762 3.598 20 0 CHADMN C[N@@H+](Cc1cccc(Cl)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000032145057 957174460 /nfs/dbraw/zinc/17/44/60/957174460.db2.gz PAUYHACWZXSPJC-OAHLLOKOSA-N 0 1 289.762 3.598 20 0 CHADMN CCC[N@@H+](C)Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000037098631 957263091 /nfs/dbraw/zinc/26/30/91/957263091.db2.gz ACTWETZCHHXFBR-UHFFFAOYSA-N 0 1 281.352 3.580 20 0 CHADMN Cc1cc(C[N@H+](C)Cc2cccc(Cl)c2)oc1C(=O)[O-] ZINC000048877681 957467755 /nfs/dbraw/zinc/46/77/55/957467755.db2.gz BRMWDCGJROUVID-UHFFFAOYSA-N 0 1 293.750 3.572 20 0 CHADMN CCC1CCC([N@@H+](C)Cc2ccc(C(=O)[O-])s2)CC1 ZINC000109601858 958378979 /nfs/dbraw/zinc/37/89/79/958378979.db2.gz QAYIQFGOADOVMH-UHFFFAOYSA-N 0 1 281.421 3.847 20 0 CHADMN Cc1scc(C[NH2+][C@H](C(=O)[O-])c2cccc(C)c2)c1C ZINC001594398257 958798490 /nfs/dbraw/zinc/79/84/90/958798490.db2.gz UKQFPVDNWFDDCD-HNNXBMFYSA-N 0 1 289.400 3.589 20 0 CHADMN CCn1nccc1CN1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000128757535 1125468951 /nfs/dbraw/zinc/46/89/51/1125468951.db2.gz HGMJJWKEZKYGCS-SUMWQHHRSA-N 0 1 287.382 3.625 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2cnoc2C)o1 ZINC000128757795 1125469076 /nfs/dbraw/zinc/46/90/76/1125469076.db2.gz PBHCVHXXVGYOJL-NHYWBVRUSA-N 0 1 274.364 3.858 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000162844042 959220083 /nfs/dbraw/zinc/22/00/83/959220083.db2.gz NKHCNFZSFKLVAG-AAEUAGOBSA-N 0 1 279.405 3.519 20 0 CHADMN C[C@]1(C2CCCCC2)CC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC001573678911 959735266 /nfs/dbraw/zinc/73/52/66/959735266.db2.gz UOKOBOHRYIUSJH-MRXNPFEDSA-N 0 1 279.424 3.676 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001140503792 960500453 /nfs/dbraw/zinc/50/04/53/960500453.db2.gz MUMUDLIBAJFWNN-CQSZACIVSA-N 0 1 299.345 3.513 20 0 CHADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(C)(C)CC)cc1 ZINC001573768176 960636863 /nfs/dbraw/zinc/63/68/63/960636863.db2.gz IWWWMCSUAMKYMF-OAHLLOKOSA-N 0 1 277.408 3.669 20 0 CHADMN C[C@]1(C(=O)[O-])CCC[N@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000250795402 961228587 /nfs/dbraw/zinc/22/85/87/961228587.db2.gz LRRQIZOECWWHMQ-HOCLYGCPSA-N 0 1 293.794 3.514 20 0 CHADMN Cc1cnc([C@@H](C)N(C)CCCCc2ccccc2)o1 ZINC000536587173 1125477368 /nfs/dbraw/zinc/47/73/68/1125477368.db2.gz QQAOEFOLUQMCAM-OAHLLOKOSA-N 0 1 272.392 3.999 20 0 CHADMN CSc1ccc(Cl)cc1CN1CCC[C@H](C(C)=O)C1 ZINC001238677048 1131230434 /nfs/dbraw/zinc/23/04/34/1131230434.db2.gz OCOLNGODNKVEIL-LBPRGKRZSA-N 0 1 297.851 3.863 20 0 CHADMN CSc1ccc(Cl)cc1C[N@H+]1CCC[C@H](C(C)=O)C1 ZINC001238677048 1131230431 /nfs/dbraw/zinc/23/04/31/1131230431.db2.gz OCOLNGODNKVEIL-LBPRGKRZSA-N 0 1 297.851 3.863 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)CCOCC1CC1 ZINC000607727161 1117851991 /nfs/dbraw/zinc/85/19/91/1117851991.db2.gz KAKLFPSILMBQBO-LBPRGKRZSA-N 0 1 267.800 3.759 20 0 CHADMN C[C@]([NH2+]Cc1cc2ccccc2o1)(C(=O)[O-])c1ccccc1 ZINC001334011468 961742174 /nfs/dbraw/zinc/74/21/74/961742174.db2.gz WUPNVPRPGZLCML-GOSISDBHSA-N 0 1 295.338 3.522 20 0 CHADMN Cc1oncc1CN[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000129937094 1125479206 /nfs/dbraw/zinc/47/92/06/1125479206.db2.gz LRQHDNRRQLBWEF-ZDUSSCGKSA-N 0 1 293.370 3.896 20 0 CHADMN C[C@@H](CC(F)(F)F)NCc1nc(C(C)(C)C)cs1 ZINC000133601347 1125480316 /nfs/dbraw/zinc/48/03/16/1125480316.db2.gz JSTRZWVWBMZLHW-QMMMGPOBSA-N 0 1 280.359 3.871 20 0 CHADMN Fc1ccc(C2=CCN(Cc3ccncc3)CC2)cc1 ZINC000130289074 1125481249 /nfs/dbraw/zinc/48/12/49/1125481249.db2.gz DLGYMMIUUDRYHU-UHFFFAOYSA-N 0 1 268.335 3.510 20 0 CHADMN C/C(=C\C[N@H+]1CCC[C@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC001349581714 962472860 /nfs/dbraw/zinc/47/28/60/962472860.db2.gz QVAZZDJMGBBLLA-OIOXUXFSSA-N 0 1 279.767 3.508 20 0 CHADMN C[C@@H]([NH2+][C@H]1CC=CCC1)c1cc(Cl)ccc1[O-] ZINC000186056928 1117979397 /nfs/dbraw/zinc/97/93/97/1117979397.db2.gz JHXIDECXTCITMV-PWSUYJOCSA-N 0 1 251.757 3.805 20 0 CHADMN CCn1cc(CN[C@H](C)c2ccc(F)c(Cl)c2)cn1 ZINC000112097376 1125484478 /nfs/dbraw/zinc/48/44/78/1125484478.db2.gz WQEHFQUBOSWBRN-SNVBAGLBSA-N 0 1 281.762 3.546 20 0 CHADMN CCCC[C@@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])sc1C ZINC000310985831 963450100 /nfs/dbraw/zinc/45/01/00/963450100.db2.gz FSIGXBDCCPVPDW-SNVBAGLBSA-N 0 1 269.410 3.765 20 0 CHADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000312239688 963546312 /nfs/dbraw/zinc/54/63/12/963546312.db2.gz PGOVVWVFIIZLKG-CABCVRRESA-N 0 1 279.424 3.698 20 0 CHADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000312239690 963546702 /nfs/dbraw/zinc/54/67/02/963546702.db2.gz PGOVVWVFIIZLKG-HUUCEWRRSA-N 0 1 279.424 3.698 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000316118833 963978277 /nfs/dbraw/zinc/97/82/77/963978277.db2.gz STJXLKWWLCJGMD-MSOLQXFVSA-N 0 1 295.382 3.822 20 0 CHADMN COCCN(Cc1csc(C(C)C)n1)C1CCCC1 ZINC000076913192 1118003871 /nfs/dbraw/zinc/00/38/71/1118003871.db2.gz HRZOHEVFWAHVSA-UHFFFAOYSA-N 0 1 282.453 3.658 20 0 CHADMN Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c(C)c1 ZINC000314014093 967964762 /nfs/dbraw/zinc/96/47/62/967964762.db2.gz VTNMQKWBFWENQK-JYJNAYRXSA-N 0 1 289.419 3.715 20 0 CHADMN Cc1ccc([C@H](C)C[N@@H+](CC(=O)[O-])CC(C)(C)C)cc1 ZINC001594349072 970214353 /nfs/dbraw/zinc/21/43/53/970214353.db2.gz CSIWAWODRDKIIW-CQSZACIVSA-N 0 1 277.408 3.531 20 0 CHADMN C[C@@H]1C[C@H](C)CCN(Cc2csc(C3CC3)n2)C1 ZINC000340172543 1118096448 /nfs/dbraw/zinc/09/64/48/1118096448.db2.gz BKXPIYRDMYBRID-VXGBXAGGSA-N 0 1 264.438 3.889 20 0 CHADMN Cc1cccc([C@@H](C)[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC000393264128 972578142 /nfs/dbraw/zinc/57/81/42/972578142.db2.gz UNEXFUBSOXQCSV-RDTXWAMCSA-N 0 1 295.382 3.740 20 0 CHADMN C[N@@H+](CCCC(=O)[O-])Cc1ccc(-c2cccs2)cc1 ZINC001604167340 972580210 /nfs/dbraw/zinc/58/02/10/972580210.db2.gz IGGQUCAWCYBGRA-UHFFFAOYSA-N 0 1 289.400 3.712 20 0 CHADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1C[C@H]1CCCCC1(C)C ZINC001605004357 972605269 /nfs/dbraw/zinc/60/52/69/972605269.db2.gz QLWSQZOUGODCIR-MGPQQGTHSA-N 0 1 267.413 3.530 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@H](C)c1ccco1)CCC2 ZINC000764630156 1118103293 /nfs/dbraw/zinc/10/32/93/1118103293.db2.gz XNYQOFWQYLKXBE-KOLCDFICSA-N 0 1 262.378 3.773 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1[C@H]1C[C@H](C)Sc2sccc21 ZINC001605053792 972668804 /nfs/dbraw/zinc/66/88/04/972668804.db2.gz WLQYJRHVKQQVGY-DMWPJOQESA-N 0 1 297.445 3.611 20 0 CHADMN CC(C)C1CCC(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000394215371 972685039 /nfs/dbraw/zinc/68/50/39/972685039.db2.gz BJAIMNKDNRZLSE-VMBOVVBDSA-N 0 1 281.440 3.636 20 0 CHADMN C[N@H+](Cc1ccsc1)Cc1cccc(C(=O)[O-])c1Cl ZINC000394515445 972718037 /nfs/dbraw/zinc/71/80/37/972718037.db2.gz QIUDLZXOMCLVCC-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN C[N@@H+](Cc1ccsc1)Cc1cccc(C(=O)[O-])c1Cl ZINC000394515445 972718046 /nfs/dbraw/zinc/71/80/46/972718046.db2.gz QIUDLZXOMCLVCC-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN CC[C@@H](C)[N@@H+](CCc1ccc2ccccc2c1)CC(=O)[O-] ZINC000442769365 974120170 /nfs/dbraw/zinc/12/01/70/974120170.db2.gz QBVNRLCONWKMPE-CQSZACIVSA-N 0 1 285.387 3.567 20 0 CHADMN C[C@H](C(=O)[O-])[N@@H+](CC1CCC(C)(C)CC1)C1CCC1 ZINC000514797506 974292311 /nfs/dbraw/zinc/29/23/11/974292311.db2.gz BEYMTJYMWZGOAQ-GFCCVEGCSA-N 0 1 267.413 3.530 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1cc(F)ccc1Cl ZINC000530179936 974364542 /nfs/dbraw/zinc/36/45/42/974364542.db2.gz OVLSSSFSLXOCED-JGPRNRPPSA-N 0 1 299.773 3.553 20 0 CHADMN CC[C@H](C)[N@@H+](C/C=C/c1ccc(Cl)cc1)CC(=O)[O-] ZINC000556919191 974490467 /nfs/dbraw/zinc/49/04/67/974490467.db2.gz JKKGAVFLWPHCRE-ITKZLYELSA-N 0 1 281.783 3.538 20 0 CHADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000565104120 974570405 /nfs/dbraw/zinc/57/04/05/974570405.db2.gz JEWKPJONDNAXBM-YPMHNXCESA-N 0 1 281.421 3.847 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])CCc1ccc2ccccc2c1 ZINC000565107992 974573342 /nfs/dbraw/zinc/57/33/42/974573342.db2.gz SULXQEHAJFUMKJ-UHFFFAOYSA-N 0 1 299.414 3.815 20 0 CHADMN O=C([O-])CC1(C[N@H+]2CCCC3(C2)CCCCCC3)CC1 ZINC000565721938 974587989 /nfs/dbraw/zinc/58/79/89/974587989.db2.gz ZSEVJTFJWJSYDZ-UHFFFAOYSA-N 0 1 279.424 3.678 20 0 CHADMN CCC[N@@H+](CC)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000566359150 974608611 /nfs/dbraw/zinc/60/86/11/974608611.db2.gz RDBCZKZCAQATLL-GFCCVEGCSA-N 0 1 289.297 3.563 20 0 CHADMN CC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000566362058 974610799 /nfs/dbraw/zinc/61/07/99/974610799.db2.gz PERQVXGSNVCOQA-SWLSCSKDSA-N 0 1 295.810 3.978 20 0 CHADMN CC/C=C/CC[N@@H+](CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC000566748551 974620753 /nfs/dbraw/zinc/62/07/53/974620753.db2.gz MTRKVTQREXPPKF-SQRWCISFSA-N 0 1 275.392 3.881 20 0 CHADMN CC[N@@H+](Cc1ccccc1C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000568060633 974655655 /nfs/dbraw/zinc/65/56/55/974655655.db2.gz IXKUAVYZQAIMIJ-CYBMUJFWSA-N 0 1 287.359 3.869 20 0 CHADMN Cc1cc([C@H](C)[N@@H+](C)Cc2cccc(C)c2)oc1C(=O)[O-] ZINC000568059711 974655865 /nfs/dbraw/zinc/65/58/65/974655865.db2.gz JIYATVLIXXFRCT-ZDUSSCGKSA-N 0 1 287.359 3.788 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000568061639 974656831 /nfs/dbraw/zinc/65/68/31/974656831.db2.gz MQOCQVNCAHFUHK-XJKSGUPXSA-N 0 1 293.382 3.710 20 0 CHADMN C[C@@H](C[N@@H+](C/C=C\c1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000568073578 974660530 /nfs/dbraw/zinc/66/05/30/974660530.db2.gz GAAWWSCDFVIJNY-DLGQBQFBSA-N 0 1 293.794 3.538 20 0 CHADMN Cc1cc(C[N@@H+](CC2CCCCC2)C2CC2)oc1C(=O)[O-] ZINC000570100898 974705027 /nfs/dbraw/zinc/70/50/27/974705027.db2.gz YWPZPFWPGMAHRN-UHFFFAOYSA-N 0 1 291.391 3.831 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000570100666 974705039 /nfs/dbraw/zinc/70/50/39/974705039.db2.gz UWMIXAGJUQAFHM-MRXNPFEDSA-N 0 1 279.380 3.688 20 0 CHADMN O=C([O-])[C@H](c1ccsc1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000571811968 974737139 /nfs/dbraw/zinc/73/71/39/974737139.db2.gz VJTALIAXVNIWCY-STQMWFEESA-N 0 1 293.413 3.772 20 0 CHADMN O=C([O-])[C@H](c1ccsc1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000571811968 974737143 /nfs/dbraw/zinc/73/71/43/974737143.db2.gz VJTALIAXVNIWCY-STQMWFEESA-N 0 1 293.413 3.772 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@H](C)c2ccc(C(=O)[O-])o2)cc1C ZINC000573507230 974767176 /nfs/dbraw/zinc/76/71/76/974767176.db2.gz UBKBVZWGDDYYKR-CYBMUJFWSA-N 0 1 287.359 3.788 20 0 CHADMN C[N@@H+](Cc1ccc2ccccc2c1)CC1(CC(=O)[O-])CC1 ZINC000574921506 974791060 /nfs/dbraw/zinc/79/10/60/974791060.db2.gz CMPJPBJUQUXBDD-UHFFFAOYSA-N 0 1 283.371 3.527 20 0 CHADMN Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)oc1C(=O)[O-] ZINC000578076477 974847061 /nfs/dbraw/zinc/84/70/61/974847061.db2.gz KJBAPGWPWGNDKF-CQDKDKBSSA-N 0 1 291.391 3.687 20 0 CHADMN Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)oc1C(=O)[O-] ZINC000578076480 974847296 /nfs/dbraw/zinc/84/72/96/974847296.db2.gz KJBAPGWPWGNDKF-TUKIKUTGSA-N 0 1 291.391 3.687 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@H]2c2ccc(C)cc2)cc1C(=O)[O-] ZINC000578242211 974851726 /nfs/dbraw/zinc/85/17/26/974851726.db2.gz NBOSEOGMEANCPU-KRWDZBQOSA-N 0 1 299.370 3.932 20 0 CHADMN O=C([O-])[C@@H](c1ccsc1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000578756249 974861605 /nfs/dbraw/zinc/86/16/05/974861605.db2.gz KDVFXFCNGBINQL-WCQYABFASA-N 0 1 293.413 3.772 20 0 CHADMN C[C@H](c1cccs1)[N@@H+](C)Cc1csc(C(=O)[O-])c1 ZINC000579843147 974883107 /nfs/dbraw/zinc/88/31/07/974883107.db2.gz WDNQNAHHTKOETP-SECBINFHSA-N 0 1 281.402 3.701 20 0 CHADMN O=C([O-])C1(C[N@H+]2CCCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000580719886 974898746 /nfs/dbraw/zinc/89/87/46/974898746.db2.gz CBBKQAHRSAVVEV-CQSZACIVSA-N 0 1 293.794 3.732 20 0 CHADMN O=C([O-])c1ccccc1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000582365533 974924890 /nfs/dbraw/zinc/92/48/90/974924890.db2.gz ZLYGDFDLJPZGEL-UHFFFAOYSA-N 0 1 299.345 3.689 20 0 CHADMN CC[C@@]1(C)CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000583267915 974938878 /nfs/dbraw/zinc/93/88/78/974938878.db2.gz JANIRPTWTJWMPQ-ZBFHGGJFSA-N 0 1 295.810 3.978 20 0 CHADMN Cc1oc(C[N@H+]2CCC[C@@H]2C2CCCCC2)cc1C(=O)[O-] ZINC000583877760 974947491 /nfs/dbraw/zinc/94/74/91/974947491.db2.gz XIEFZXCWJAUWMF-MRXNPFEDSA-N 0 1 291.391 3.831 20 0 CHADMN CC[N@@H+](CCc1ccccc1)[C@@H](C(=O)[O-])c1ccccc1C ZINC000584058237 974949868 /nfs/dbraw/zinc/94/98/68/974949868.db2.gz NGHHGJJMPDUNOD-GOSISDBHSA-N 0 1 297.398 3.685 20 0 CHADMN CC1(C)CC(C[N@@H+](CCCC(=O)[O-])Cc2ccccc2)C1 ZINC000629363105 975083843 /nfs/dbraw/zinc/08/38/43/975083843.db2.gz ASEJOWFTUPXYMG-UHFFFAOYSA-N 0 1 289.419 3.790 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000629363652 975084123 /nfs/dbraw/zinc/08/41/23/975084123.db2.gz DZUQCRKPBKHNOC-AWEZNQCLSA-N 0 1 289.419 3.959 20 0 CHADMN O=C([O-])CC1(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000652389576 975518474 /nfs/dbraw/zinc/51/84/74/975518474.db2.gz MZXDVYJHKSIRAH-AWEZNQCLSA-N 0 1 293.794 3.732 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccsc2)cc1 ZINC000652465212 975542496 /nfs/dbraw/zinc/54/24/96/975542496.db2.gz VYFGSGABAMWMHY-UHFFFAOYSA-N 0 1 289.400 3.712 20 0 CHADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC000652498333 975560209 /nfs/dbraw/zinc/56/02/09/975560209.db2.gz FAOVVBZDPWPKJT-HNNXBMFYSA-N 0 1 281.440 3.780 20 0 CHADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CCCC2(CCCC2)CC1 ZINC000656758687 975686697 /nfs/dbraw/zinc/68/66/97/975686697.db2.gz LEMMPUAGGZMNFT-INIZCTEOSA-N 0 1 287.403 3.859 20 0 CHADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC000656763840 975694616 /nfs/dbraw/zinc/69/46/16/975694616.db2.gz RKDSEMMVDBZDMD-UHFFFAOYSA-N 0 1 293.407 3.934 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC23CCC(CC2)C3)[C@H]2CCCC[C@@H]12 ZINC000656764742 975696894 /nfs/dbraw/zinc/69/68/94/975696894.db2.gz HEAWHCDEFCKNNT-SYGRHNPNSA-N 0 1 291.435 3.532 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000659790682 975878193 /nfs/dbraw/zinc/87/81/93/975878193.db2.gz KFMKQGPZOJUGQT-ZIAGYGMSSA-N 0 1 287.403 3.917 20 0 CHADMN CC[C@@H](CC(F)F)C[N@@H+](CC1CC1)[C@](C)(CC)C(=O)[O-] ZINC000659792585 975880332 /nfs/dbraw/zinc/88/03/32/975880332.db2.gz PREGQBOSOAZQSY-XHDPSFHLSA-N 0 1 291.382 3.633 20 0 CHADMN CC(C)c1[nH]c(C[N@@H+](C)C[C@@H]2CC=CCC2)cc1C(=O)[O-] ZINC001591910653 976323364 /nfs/dbraw/zinc/32/33/64/976323364.db2.gz LHXWUUGZTSTXJP-CYBMUJFWSA-N 0 1 290.407 3.624 20 0 CHADMN C/C(=C\C[N@H+](C)C1CC(C)(C)CC(C)(C)C1)C(=O)[O-] ZINC000693043216 976578280 /nfs/dbraw/zinc/57/82/80/976578280.db2.gz JFUDNJFYPIQQEQ-KPKJPENVSA-N 0 1 267.413 3.554 20 0 CHADMN CC(C)c1cccc(C[N@@H+](C)C2(C(=O)[O-])CCCC2)c1 ZINC001591987808 976612055 /nfs/dbraw/zinc/61/20/55/976612055.db2.gz QOGFGUUJNCNQRF-UHFFFAOYSA-N 0 1 275.392 3.639 20 0 CHADMN Cc1ccc(C[N@H+](C)C[C@@H](C)C(C)(C)C)cc1C(=O)[O-] ZINC000701837778 977048156 /nfs/dbraw/zinc/04/81/56/977048156.db2.gz FGMHVOAQVUVXRO-CYBMUJFWSA-N 0 1 277.408 3.807 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC000708383680 977426468 /nfs/dbraw/zinc/42/64/68/977426468.db2.gz NGUOOBTXYNXXLU-LBPRGKRZSA-N 0 1 281.421 3.704 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)oc1C(=O)[O-] ZINC000708557500 977436721 /nfs/dbraw/zinc/43/67/21/977436721.db2.gz YWAYAGSOXQFPEC-GFCCVEGCSA-N 0 1 279.380 3.544 20 0 CHADMN C[C@@H](CC[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1)c1ccccc1 ZINC001592513329 978344646 /nfs/dbraw/zinc/34/46/46/978344646.db2.gz DRPWQVNVBFNZMX-KBPBESRZSA-N 0 1 275.392 3.508 20 0 CHADMN CC[C@H](C[N@@H+](CC)C/C=C(/C)C(=O)[O-])c1ccccc1 ZINC000846253364 979425652 /nfs/dbraw/zinc/42/56/52/979425652.db2.gz BJAVIZQGPAGFMK-QKXCFHHRSA-N 0 1 275.392 3.533 20 0 CHADMN C/C(=C/C[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC000846253301 979425895 /nfs/dbraw/zinc/42/58/95/979425895.db2.gz ZWHKKHAVBCHGEU-LDCOFTPGSA-N 0 1 293.794 3.898 20 0 CHADMN C/C(=C\C[N@H+]1CCCC[C@@H]1c1cccc(C)c1C)C(=O)[O-] ZINC000846252011 979425957 /nfs/dbraw/zinc/42/59/57/979425957.db2.gz SJXRVBBPAVPRHB-IDKBZEPQSA-N 0 1 287.403 3.861 20 0 CHADMN CCC1(CC)CCC[N@@H+](Cc2ccccc2CC(=O)[O-])C1 ZINC000849345019 979496608 /nfs/dbraw/zinc/49/66/08/979496608.db2.gz HFCCMDWWAONRJW-UHFFFAOYSA-N 0 1 289.419 3.716 20 0 CHADMN CCC(CC)CCC[N@@H+](C)Cc1ccccc1CC(=O)[O-] ZINC000851708896 979580334 /nfs/dbraw/zinc/58/03/34/979580334.db2.gz AKCKRMGJHRGWTG-UHFFFAOYSA-N 0 1 291.435 3.962 20 0 CHADMN C[C@@H](C[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)C(C)(C)C ZINC000872161586 980051588 /nfs/dbraw/zinc/05/15/88/980051588.db2.gz CPJRYHHMCGTJPT-BPUTZDHNSA-N 0 1 289.419 3.959 20 0 CHADMN CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000901744125 980473528 /nfs/dbraw/zinc/47/35/28/980473528.db2.gz BMTPZKWESBYAGE-KBXCAEBGSA-N 0 1 299.414 3.735 20 0 CHADMN CC1=CCC[C@@H](C)[C@H]1C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000901780433 980510998 /nfs/dbraw/zinc/51/09/98/980510998.db2.gz YWCZPRKIFFBKFA-PBHICJAKSA-N 0 1 299.414 3.735 20 0 CHADMN CC(C)C[N@@H+](Cc1ccccc1Cl)CC(C)(C)C(=O)[O-] ZINC000901840517 980558955 /nfs/dbraw/zinc/55/89/55/980558955.db2.gz LRAFNQAMKLLGPL-UHFFFAOYSA-N 0 1 297.826 3.909 20 0 CHADMN Cc1ccc(C)c(C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-])c1 ZINC000901840489 980559107 /nfs/dbraw/zinc/55/91/07/980559107.db2.gz KRJVHZLSTCIIHE-UHFFFAOYSA-N 0 1 291.435 3.872 20 0 CHADMN CC[C@H](C)[N@@H+](C/C=C/c1c(C)cc(C)cc1C)CC(=O)[O-] ZINC000901985293 980667040 /nfs/dbraw/zinc/66/70/40/980667040.db2.gz OPKUTDBHYZFOFD-WAVCKPEOSA-N 0 1 289.419 3.810 20 0 CHADMN CCCc1ccc(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])s1 ZINC000902035050 980706717 /nfs/dbraw/zinc/70/67/17/980706717.db2.gz NBLBEEVPIVQRBB-CQSZACIVSA-N 0 1 281.421 3.530 20 0 CHADMN CCc1oc(C[N@@H+](C)CC2CCCCC2)cc1C(=O)[O-] ZINC000902093538 980729975 /nfs/dbraw/zinc/72/99/75/980729975.db2.gz CAQPIGUWJPMBSO-UHFFFAOYSA-N 0 1 279.380 3.552 20 0 CHADMN CC[C@@H](c1ccccc1)[N@@H+](CC)CCC(C)(C)C(=O)[O-] ZINC001595363128 980778106 /nfs/dbraw/zinc/77/81/06/980778106.db2.gz BMZVRNWZLYATIZ-HNNXBMFYSA-N 0 1 277.408 3.961 20 0 CHADMN CC[C@H](c1ccccc1)[N@@H+](CC)CC1(CC(=O)[O-])CC1 ZINC001595363103 980778333 /nfs/dbraw/zinc/77/83/33/980778333.db2.gz ATEWOPLQIVXJQK-OAHLLOKOSA-N 0 1 275.392 3.715 20 0 CHADMN Cc1cc(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)oc1C(=O)[O-] ZINC000902326810 980834940 /nfs/dbraw/zinc/83/49/40/980834940.db2.gz SAWVVOPPCWCLAU-OAHLLOKOSA-N 0 1 299.370 3.584 20 0 CHADMN CCc1oc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC000902540366 980926373 /nfs/dbraw/zinc/92/63/73/980926373.db2.gz FEAXEVMPIAVFNX-WHOFXGATSA-N 0 1 291.391 3.551 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc2ccccc21 ZINC000903596956 980980101 /nfs/dbraw/zinc/98/01/01/980980101.db2.gz YMXCPCFNCIERGY-GUYCJALGSA-N 0 1 285.387 3.771 20 0 CHADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000903597499 980980835 /nfs/dbraw/zinc/98/08/35/980980835.db2.gz NLKGDFPGOGKPAW-NZUILWFCSA-N 0 1 289.419 3.672 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@H+](CC[C@@H]1CCCC1(F)F)C2 ZINC000903607456 980988642 /nfs/dbraw/zinc/98/86/42/980988642.db2.gz BVIYHOXUNZXEGQ-AWEZNQCLSA-N 0 1 295.329 3.526 20 0 CHADMN CCc1ccc([C@@H]2CC[N@H+]([C@H](C(=O)[O-])[C@@H](C)CC)C2)cc1 ZINC000903608171 980989166 /nfs/dbraw/zinc/98/91/66/980989166.db2.gz GQEOSJQMQZNHSX-XKQJLSEDSA-N 0 1 289.419 3.538 20 0 CHADMN C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000903631033 981006833 /nfs/dbraw/zinc/00/68/33/981006833.db2.gz JPXJGAKPJHRPNU-GUYCJALGSA-N 0 1 299.370 3.746 20 0 CHADMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903895710 981025923 /nfs/dbraw/zinc/02/59/23/981025923.db2.gz JVNZWCONJLKMPW-JSGCOSHPSA-N 0 1 298.386 3.696 20 0 CHADMN CCCCC[C@H]1CCCC[N@H+]1Cc1cncc(C(=O)[O-])c1 ZINC000903909487 981033153 /nfs/dbraw/zinc/03/31/53/981033153.db2.gz JCFAZXCQEJKKMW-INIZCTEOSA-N 0 1 290.407 3.715 20 0 CHADMN CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001595444177 981086629 /nfs/dbraw/zinc/08/66/29/981086629.db2.gz KDQLLJUDJDCHSH-IUODEOHRSA-N 0 1 279.380 3.687 20 0 CHADMN CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC001595444543 981089153 /nfs/dbraw/zinc/08/91/53/981089153.db2.gz QVLAUCOXOCBRPY-LRDDRELGSA-N 0 1 293.382 3.925 20 0 CHADMN CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC001595444542 981089187 /nfs/dbraw/zinc/08/91/87/981089187.db2.gz QVLAUCOXOCBRPY-BLLLJJGKSA-N 0 1 293.382 3.925 20 0 CHADMN CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1csc(C(=O)[O-])c1 ZINC001595444810 981090945 /nfs/dbraw/zinc/09/09/45/981090945.db2.gz USMHUIFXVNXPAF-CHWSQXEVSA-N 0 1 281.421 3.847 20 0 CHADMN Cc1ccc(CCC[N@H+](C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000905370633 981093912 /nfs/dbraw/zinc/09/39/12/981093912.db2.gz YEPWTVPMRPKAGF-SFHVURJKSA-N 0 1 297.398 3.685 20 0 CHADMN C[C@@H]1CCC[C@@H](CC[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000905372220 981095330 /nfs/dbraw/zinc/09/53/30/981095330.db2.gz IMEMOWDEBWMRLM-HLLBOEOZSA-N 0 1 289.419 3.961 20 0 CHADMN CC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(Cl)cc2)C1 ZINC001595453889 981122173 /nfs/dbraw/zinc/12/21/73/981122173.db2.gz ZYEAAZWNMDWEOU-RISCZKNCSA-N 0 1 281.783 3.588 20 0 CHADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595574820 981493253 /nfs/dbraw/zinc/49/32/53/981493253.db2.gz XSFJRUCFISWYSG-TUAOUCFPSA-N 0 1 296.436 3.803 20 0 CHADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595620062 981685418 /nfs/dbraw/zinc/68/54/18/981685418.db2.gz VPWLENYDYUEINC-GRYCIOLGSA-N 0 1 296.436 3.803 20 0 CHADMN CC[C@H](C(=O)[O-])[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001594775359 981758255 /nfs/dbraw/zinc/75/82/55/981758255.db2.gz ODGVBNBMVYRLGI-GOSISDBHSA-N 0 1 295.382 3.575 20 0 CHADMN CCCC[C@@H](C(=O)[O-])[N@@H+](CCC)Cc1ccc(F)cc1 ZINC001595628875 981792066 /nfs/dbraw/zinc/79/20/66/981792066.db2.gz OUIYGZLTBKKVFN-HNNXBMFYSA-N 0 1 281.371 3.681 20 0 CHADMN CC[C@](C)(C(=O)[O-])[N@H+](Cc1ccc(F)cc1C)CC1CC1 ZINC001594787368 981818923 /nfs/dbraw/zinc/81/89/23/981818923.db2.gz BLOXTRUGKFOVOP-QGZVFWFLSA-N 0 1 293.382 3.599 20 0 CHADMN CC[C@@](C)(C(=O)[O-])[N@H+](Cc1ccc(C)c(C)c1)CC1CC1 ZINC001594787568 981822910 /nfs/dbraw/zinc/82/29/10/981822910.db2.gz IDHIKPYDDSEHGG-SFHVURJKSA-N 0 1 289.419 3.769 20 0 CHADMN CC[C@](C)(C(=O)[O-])[N@@H+](CC1CC1)CC1CCCCC1 ZINC001594787996 981831667 /nfs/dbraw/zinc/83/16/67/981831667.db2.gz RETWIHRSYNQMBD-MRXNPFEDSA-N 0 1 267.413 3.532 20 0 CHADMN CCCC[C@@H](C)[N@@H+](CCCC)Cc1cncc(C(=O)[O-])c1 ZINC001595632430 981855192 /nfs/dbraw/zinc/85/51/92/981855192.db2.gz WVTGCSCOQTUNQE-CQSZACIVSA-N 0 1 292.423 3.961 20 0 CHADMN Cc1cc(CN2CCC[C@@H](C(C)(C)C)CC2)no1 ZINC000341442574 1118708431 /nfs/dbraw/zinc/70/84/31/1118708431.db2.gz RZVNDNODEASTMJ-CYBMUJFWSA-N 0 1 250.386 3.631 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1C[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001595690170 982192719 /nfs/dbraw/zinc/19/27/19/982192719.db2.gz KBXQAWXHUDGGPM-BZUAXINKSA-N 0 1 281.440 3.922 20 0 CHADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC001594877672 982219842 /nfs/dbraw/zinc/21/98/42/982219842.db2.gz RGZJLOLIHBCKST-BHYGNILZSA-N 0 1 299.414 3.879 20 0 CHADMN CCCC[N@@H+](Cc1cc(C(=O)[O-])c(C)[nH]1)C1CCCCC1 ZINC001595749081 982420136 /nfs/dbraw/zinc/42/01/36/982420136.db2.gz FRRWTVHEJBMLFG-UHFFFAOYSA-N 0 1 292.423 3.956 20 0 CHADMN COc1ccc(F)c(F)c1CN1CCC[C@H](C)[C@H]1C ZINC001143411971 1118820994 /nfs/dbraw/zinc/82/09/94/1118820994.db2.gz BOPAZJCLDLLUPR-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001594930947 982557176 /nfs/dbraw/zinc/55/71/76/982557176.db2.gz DEQCMPOZWWNRDB-QMOWULKGSA-N 0 1 291.391 3.778 20 0 CHADMN C[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)CC1 ZINC001118315419 982951466 /nfs/dbraw/zinc/95/14/66/982951466.db2.gz ACNFPILDZIRMMA-RISCZKNCSA-N 0 1 281.783 3.588 20 0 CHADMN CCCc1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001596062643 983372230 /nfs/dbraw/zinc/37/22/30/983372230.db2.gz INIMULGKLBPRTL-UHFFFAOYSA-N 0 1 297.398 3.969 20 0 CHADMN COc1cc(CN2C[C@@H](C)S[C@H](C)C2)ccc1SC ZINC000075891448 1119179483 /nfs/dbraw/zinc/17/94/83/1119179483.db2.gz KPUNHKBLZBPRCI-VXGBXAGGSA-N 0 1 297.489 3.743 20 0 CHADMN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCC(C)(C)C ZINC000112696836 1125489543 /nfs/dbraw/zinc/48/95/43/1125489543.db2.gz GJHSLZMALGDFIH-ZDUSSCGKSA-N 0 1 297.464 3.519 20 0 CHADMN Cc1ccc(CCNCc2ncc(Cl)s2)cc1C ZINC000657627061 1119213585 /nfs/dbraw/zinc/21/35/85/1119213585.db2.gz UNGZYOCKXALMQP-UHFFFAOYSA-N 0 1 280.824 3.746 20 0 CHADMN Clc1ccc([C@H]2CC[N@@H+](Cc3cncs3)C2)cc1 ZINC000125370749 1119331624 /nfs/dbraw/zinc/33/16/24/1119331624.db2.gz BTVBSSMRHCVSTN-LBPRGKRZSA-N 0 1 278.808 3.786 20 0 CHADMN C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)CC(C)(C)C1 ZINC001594501518 985688339 /nfs/dbraw/zinc/68/83/39/985688339.db2.gz OZIZPJKRJBHDKO-SMDDNHRTSA-N 0 1 295.810 3.834 20 0 CHADMN C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(Cl)cc1Cl ZINC000134644788 1119487766 /nfs/dbraw/zinc/48/77/66/1119487766.db2.gz QKEHIMSCKSBAQM-JFGNBEQYSA-N 0 1 286.202 3.581 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1cncs1 ZINC000282046480 1125495279 /nfs/dbraw/zinc/49/52/79/1125495279.db2.gz PDHYTXQLWQRSPE-SNVBAGLBSA-N 0 1 264.419 3.716 20 0 CHADMN CCC[C@@H]1CCC[C@@H]1c1nc(C2(N)CCCCC2)no1 ZINC000331606232 1125495365 /nfs/dbraw/zinc/49/53/65/1125495365.db2.gz QWUCJOAPAFFYAS-OLZOCXBDSA-N 0 1 277.412 3.872 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)[C@@H]1c1ccccc1 ZINC001594536649 986155449 /nfs/dbraw/zinc/15/54/49/986155449.db2.gz FFRHCKHSZHQHTA-RUIZXSTKSA-N 0 1 297.354 3.570 20 0 CHADMN Cc1cccc(CN[C@H](C)c2ccc(C)c(C)c2)n1 ZINC000051574427 1119623014 /nfs/dbraw/zinc/62/30/14/1119623014.db2.gz VKUJUDAGRQJLDV-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN C[C@@H]1c2sccc2CC[N@@H+]1C[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001594672755 986988705 /nfs/dbraw/zinc/98/87/05/986988705.db2.gz AFRNZGWOKLDOHY-KWCYVHTRSA-N 0 1 293.432 3.558 20 0 CHADMN C[C@@H]1c2sccc2CC[N@@H+]1C[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001594672757 986988759 /nfs/dbraw/zinc/98/87/59/986988759.db2.gz AFRNZGWOKLDOHY-XBFCOCLRSA-N 0 1 293.432 3.558 20 0 CHADMN C/C=C/C[C@@H]1CCC[N@H+]([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001594686096 987061958 /nfs/dbraw/zinc/06/19/58/987061958.db2.gz MYBZRATTZBMNII-BLDJZWNYSA-N 0 1 294.420 3.581 20 0 CHADMN Cc1oncc1CN(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000132043586 1125498506 /nfs/dbraw/zinc/49/85/06/1125498506.db2.gz VVQXJUFLWQHGTF-QGZVFWFLSA-N 0 1 299.418 3.914 20 0 CHADMN COc1cc(Cl)cc(C[N@H+](C)[C@H](C)C2(C)CC2)c1[O-] ZINC000184702340 1129236883 /nfs/dbraw/zinc/23/68/83/1129236883.db2.gz ZXKQYDWDPXUBJW-SNVBAGLBSA-N 0 1 283.799 3.675 20 0 CHADMN COc1cc(Cl)cc(C[N@@H+](C)[C@H](C)C2(C)CC2)c1[O-] ZINC000184702340 1129236886 /nfs/dbraw/zinc/23/68/86/1129236886.db2.gz ZXKQYDWDPXUBJW-SNVBAGLBSA-N 0 1 283.799 3.675 20 0 CHADMN CC[C@H](Sc1nc(C2CC2)n[nH]1)c1ccccc1 ZINC000132363144 1125501507 /nfs/dbraw/zinc/50/15/07/1125501507.db2.gz QTEFTTQCSZZZHQ-LBPRGKRZSA-N 0 1 259.378 3.926 20 0 CHADMN CC[C@H](Sc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000132363144 1125501513 /nfs/dbraw/zinc/50/15/13/1125501513.db2.gz QTEFTTQCSZZZHQ-LBPRGKRZSA-N 0 1 259.378 3.926 20 0 CHADMN CC(C)[C@H](NCc1ccns1)c1ccc(F)cc1 ZINC000404444107 1119754913 /nfs/dbraw/zinc/75/49/13/1119754913.db2.gz MHKYDQKDFQSJON-AWEZNQCLSA-N 0 1 264.369 3.769 20 0 CHADMN CC(C)(C)[N@@H+](CCCCC(=O)[O-])Cc1ccsc1 ZINC001589796508 988195325 /nfs/dbraw/zinc/19/53/25/988195325.db2.gz RTJFESMZQIDNTQ-UHFFFAOYSA-N 0 1 269.410 3.604 20 0 CHADMN C/C=C/C[C@@H]1CCCN(Cc2ncc(C)s2)C1 ZINC000626163158 1119795107 /nfs/dbraw/zinc/79/51/07/1119795107.db2.gz GBAKKEXEGRCMQH-ITDFMYJTSA-N 0 1 250.411 3.630 20 0 CHADMN C[C@H]1CCC[C@@H](NCc2csc(C(F)(F)F)n2)C1 ZINC000892510708 1119817178 /nfs/dbraw/zinc/81/71/78/1119817178.db2.gz RUYXWHMQWJUBKF-DTWKUNHWSA-N 0 1 278.343 3.830 20 0 CHADMN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1nccn1C(F)F ZINC000115553010 1125504881 /nfs/dbraw/zinc/50/48/81/1125504881.db2.gz HHLITWBXPNVLAO-OCCSQVGLSA-N 0 1 291.345 3.656 20 0 CHADMN C[C@H](CCC1CCCCC1)N[C@H](C)c1csnn1 ZINC000414297849 1119971050 /nfs/dbraw/zinc/97/10/50/1119971050.db2.gz HQWWJZYWSPLBBV-VXGBXAGGSA-N 0 1 267.442 3.938 20 0 CHADMN CC[C@@H](C)O[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001204630088 1120111702 /nfs/dbraw/zinc/11/17/02/1120111702.db2.gz OWVWMAOEBRQYCR-DOMZBBRYSA-N 0 1 267.800 3.729 20 0 CHADMN CCSCCN[C@@H](C)c1c(F)cccc1Cl ZINC000181762275 1120108024 /nfs/dbraw/zinc/10/80/24/1120108024.db2.gz DPCZKPKOJHYIMV-VIFPVBQESA-N 0 1 261.793 3.883 20 0 CHADMN Cc1ncsc1CNCc1cc(C(C)(C)C)oc1C ZINC000892920853 1120161875 /nfs/dbraw/zinc/16/18/75/1120161875.db2.gz MJHUKCBTHGOABD-UHFFFAOYSA-N 0 1 278.421 3.940 20 0 CHADMN CC(C)[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C(=O)[O-])o1 ZINC001591105596 991734575 /nfs/dbraw/zinc/73/45/75/991734575.db2.gz VUISFJICQGOHGE-QGZVFWFLSA-N 0 1 299.370 3.733 20 0 CHADMN CC(C)CC[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC001591229217 992110139 /nfs/dbraw/zinc/11/01/39/992110139.db2.gz WHWHRMHOQXAQNS-INIZCTEOSA-N 0 1 290.407 3.571 20 0 CHADMN C[C@H](N[C@H]1CCCC1(F)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000672622397 1120335506 /nfs/dbraw/zinc/33/55/06/1120335506.db2.gz GUUDNKBALVWESG-MXAVVETBSA-N 0 1 265.347 3.956 20 0 CHADMN C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ccc(C(=O)[O-])o1 ZINC001593353355 994977713 /nfs/dbraw/zinc/97/77/13/994977713.db2.gz UIIXLWOAXPTXBK-IUCAKERBSA-N 0 1 295.285 3.668 20 0 CHADMN Cc1ccc([C@H]2CSCCN2CCOCC(C)C)cc1 ZINC000500094502 1120508631 /nfs/dbraw/zinc/50/86/31/1120508631.db2.gz VITROMVCAUOADG-QGZVFWFLSA-N 0 1 293.476 3.758 20 0 CHADMN CC(C)(O)c1ccc(CNCc2ccsc2Cl)cc1 ZINC000312746830 1120591315 /nfs/dbraw/zinc/59/13/15/1120591315.db2.gz ADTQTOQXAUSPNQ-UHFFFAOYSA-N 0 1 295.835 3.919 20 0 CHADMN CCCc1nc(C)c(CN2CC[C@@H](C(F)(F)F)[C@H]2C)o1 ZINC000428959715 1120587882 /nfs/dbraw/zinc/58/78/82/1120587882.db2.gz YPDCCKBKIVZWQL-GHMZBOCLSA-N 0 1 290.329 3.708 20 0 CHADMN Cc1cnc(CNCc2cccc(Cl)c2C)c(C)c1 ZINC000922736746 1120588301 /nfs/dbraw/zinc/58/83/01/1120588301.db2.gz FVQGMAGWUVLDLD-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001593719515 996243835 /nfs/dbraw/zinc/24/38/35/996243835.db2.gz NYIHVVOIULQSRE-CYBMUJFWSA-N 0 1 299.370 3.589 20 0 CHADMN Cc1cc(F)cc(NS(=O)(=O)c2ccccc2Cl)c1 ZINC000432199897 1120677254 /nfs/dbraw/zinc/67/72/54/1120677254.db2.gz CECGXHCGSGELIU-UHFFFAOYSA-N 0 1 299.754 3.588 20 0 CHADMN CCC1(CC)CCCN([C@@H](C)c2nnc(C)s2)C1 ZINC000661672984 1120793225 /nfs/dbraw/zinc/79/32/25/1120793225.db2.gz QSFLUNROPIIYQC-NSHDSACASA-N 0 1 267.442 3.810 20 0 CHADMN C[C@H]1CCC[N@H+]1[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000652411248 1120858376 /nfs/dbraw/zinc/85/83/76/1120858376.db2.gz TYDMXVPLLQGPEQ-QPUJVOFHSA-N 0 1 288.174 3.603 20 0 CHADMN CC1=C(C)C[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)CC1 ZINC001594109672 998196186 /nfs/dbraw/zinc/19/61/86/998196186.db2.gz JIDCGZWOOJEERV-AWEZNQCLSA-N 0 1 279.767 3.508 20 0 CHADMN COc1cc(Nc2cc(F)c(F)c(F)c2)ncc1C ZINC001174958992 1121111991 /nfs/dbraw/zinc/11/19/91/1121111991.db2.gz YKCYHZSEPQEVLP-UHFFFAOYSA-N 0 1 268.238 3.560 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001594292756 999129552 /nfs/dbraw/zinc/12/95/52/999129552.db2.gz MRAARDNPFGLIQF-JKJDWNRSSA-N 0 1 279.424 3.530 20 0 CHADMN CC(C)[C@@H](N[C@H](C)c1cn[nH]c1)c1ccccc1F ZINC000658169054 1121201223 /nfs/dbraw/zinc/20/12/23/1121201223.db2.gz YKBJTADWRWUDFA-IAQYHMDHSA-N 0 1 261.344 3.597 20 0 CHADMN Cc1cscc1CNCc1ccccc1OC(F)F ZINC000094876983 1121236205 /nfs/dbraw/zinc/23/62/05/1121236205.db2.gz XESWCHRUXKXRTB-UHFFFAOYSA-N 0 1 283.343 3.948 20 0 CHADMN CCCCN(CCO)Cc1ccc(F)c(Cl)c1Cl ZINC000432745183 1121312242 /nfs/dbraw/zinc/31/22/42/1121312242.db2.gz AIWQZKAQHHLVMI-UHFFFAOYSA-N 0 1 294.197 3.727 20 0 CHADMN CCC(C)(C)[C@H]1CCCN1Cc1nnc(C(C)(C)C)[nH]1 ZINC000432781337 1121346612 /nfs/dbraw/zinc/34/66/12/1121346612.db2.gz NRTGNTSERPRCMV-GFCCVEGCSA-N 0 1 278.444 3.503 20 0 CHADMN CC(C)(C)c1ccc(CN2CC(C(F)F)C2)cc1 ZINC000676222187 1121413085 /nfs/dbraw/zinc/41/30/85/1121413085.db2.gz CSUOWCLDAOAJNF-UHFFFAOYSA-N 0 1 253.336 3.681 20 0 CHADMN CCC[C@H]1CCCN(Cc2cccc(Br)n2)C1 ZINC000708504688 1121467886 /nfs/dbraw/zinc/46/78/86/1121467886.db2.gz UATDLIJBAKNWSL-LBPRGKRZSA-N 0 1 297.240 3.856 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cn(C)cn1)c1ccc(C)cc1 ZINC000709948843 1121471459 /nfs/dbraw/zinc/47/14/59/1121471459.db2.gz INURBEQBMDQPTQ-DZGCQCFKSA-N 0 1 257.381 3.530 20 0 CHADMN CC[C@H](N[C@H](C)c1n[nH]c(C)n1)c1ccc(Cl)s1 ZINC000411510256 1121599185 /nfs/dbraw/zinc/59/91/85/1121599185.db2.gz FTUIIUCQJHNRDY-APPZFPTMSA-N 0 1 284.816 3.630 20 0 CHADMN CCSCC[C@@H](C)N(C)Cc1nc2c(s1)CCCC2 ZINC000611464472 1121648518 /nfs/dbraw/zinc/64/85/18/1121648518.db2.gz DXDQXPOQXKPAFD-GFCCVEGCSA-N 0 1 298.521 3.985 20 0 CHADMN Cn1cncc1NC=Cc1ccc(C(F)(F)F)cc1 ZINC001176661066 1121677792 /nfs/dbraw/zinc/67/77/92/1121677792.db2.gz JEKJIACDOJYGED-VOTSOKGWSA-N 0 1 267.254 3.522 20 0 CHADMN CSc1ccccc1NC(=S)N1CCCCCC1 ZINC001249687286 1121704346 /nfs/dbraw/zinc/70/43/46/1121704346.db2.gz BQRNPGOXHFOYCN-UHFFFAOYSA-N 0 1 280.462 3.981 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(F)c2OC(F)(F)F)[C@@H]1C ZINC001179980951 1121932648 /nfs/dbraw/zinc/93/26/48/1121932648.db2.gz UYGNEZIITDZFPU-NXEZZACHSA-N 0 1 291.288 3.955 20 0 CHADMN CC(C)CCc1noc(CN2CCC[C@H]2CC(C)C)n1 ZINC000501110795 1121953734 /nfs/dbraw/zinc/95/37/34/1121953734.db2.gz SVEIMMKUZIBOCR-AWEZNQCLSA-N 0 1 279.428 3.669 20 0 CHADMN COc1c(F)cc(F)cc1CN1CCC(C)(C)CC1 ZINC001143557318 1122049174 /nfs/dbraw/zinc/04/91/74/1122049174.db2.gz BBRFQEICZZTDOS-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN CCCSC[C@H](C)NCc1c(F)cc(F)c(F)c1F ZINC001181390903 1122054102 /nfs/dbraw/zinc/05/41/02/1122054102.db2.gz NNPXHVUQFUCULU-QMMMGPOBSA-N 0 1 295.345 3.864 20 0 CHADMN CCN(Cc1c(Cl)n[nH]c1C1CC1)C1CC(C)(C)C1 ZINC001182326018 1122140103 /nfs/dbraw/zinc/14/01/03/1122140103.db2.gz GCWGHBQUTWPTHX-UHFFFAOYSA-N 0 1 281.831 3.951 20 0 CHADMN CCN(Cc1ccccc1Cl)C[C@@H]1CCCCO1 ZINC000515546996 1122508065 /nfs/dbraw/zinc/50/80/65/1122508065.db2.gz CUGZAMZUWQRWAT-AWEZNQCLSA-N 0 1 267.800 3.731 20 0 CHADMN CCC1(C)CCN(Cc2ccc(F)cc2F)CC1 ZINC001190682633 1122551463 /nfs/dbraw/zinc/55/14/63/1122551463.db2.gz KSNULKYRKIXBSV-UHFFFAOYSA-N 0 1 253.336 3.977 20 0 CHADMN CC(=O)CN[C@@H](CC1CCCCC1)c1ccccc1 ZINC001192910433 1122661885 /nfs/dbraw/zinc/66/18/85/1122661885.db2.gz TYBNDSGNZRWOMT-KRWDZBQOSA-N 0 1 259.393 3.877 20 0 CHADMN CN(Cc1ccc(F)cc1)Cc1cc(F)cc(F)c1 ZINC000506751274 1122822509 /nfs/dbraw/zinc/82/25/09/1122822509.db2.gz IXSVNUFTOGOPBO-UHFFFAOYSA-N 0 1 265.278 3.736 20 0 CHADMN C[C@H](NCC1(C(F)(F)F)CC1)c1cc(F)ccc1F ZINC000507244592 1122943960 /nfs/dbraw/zinc/94/39/60/1122943960.db2.gz SAZZBSDJIMEVHT-QMMMGPOBSA-N 0 1 279.252 3.958 20 0 CHADMN C[C@@H]1CSCCCN1Cc1ccc(Cl)c(F)c1 ZINC001198517431 1122996972 /nfs/dbraw/zinc/99/69/72/1122996972.db2.gz NNEASGRABUPOBB-SNVBAGLBSA-N 0 1 273.804 3.807 20 0 CHADMN CC[C@](C)(NCCO[C@H]1CCCC[C@H]1C)c1nccs1 ZINC000440700010 1123029460 /nfs/dbraw/zinc/02/94/60/1123029460.db2.gz VNHWKUHEMAWUHJ-YCPHGPKFSA-N 0 1 296.480 3.953 20 0 CHADMN CC[C@@H](F)CN(C)Cc1cccc(OC(C)C)c1 ZINC000440768031 1123036203 /nfs/dbraw/zinc/03/62/03/1123036203.db2.gz ARAUXRAPCKWNFF-CQSZACIVSA-N 0 1 253.361 3.654 20 0 CHADMN Cc1cc(F)cc(CN2CCCC[C@](C)(F)C2)c1 ZINC001143580416 1123064830 /nfs/dbraw/zinc/06/48/30/1123064830.db2.gz JCNLJFVQOPQLQH-HNNXBMFYSA-N 0 1 253.336 3.848 20 0 CHADMN CC[N@H+](Cc1csc(C(=O)[O-])c1)Cc1cccs1 ZINC000520416982 1123086986 /nfs/dbraw/zinc/08/69/86/1123086986.db2.gz ZXLKEUOJNWUXQI-UHFFFAOYSA-N 0 1 281.402 3.530 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CCC(=O)[C@@H](F)CC1 ZINC001201976761 1123159332 /nfs/dbraw/zinc/15/93/32/1123159332.db2.gz PBZMUDPASMYENQ-GJZGRUSLSA-N 0 1 269.404 3.762 20 0 CHADMN COCCN(Cc1cccs1)Cc1ccc(F)cc1 ZINC000053099287 1123458298 /nfs/dbraw/zinc/45/82/98/1123458298.db2.gz ATBWTPNERBHRBJ-UHFFFAOYSA-N 0 1 279.380 3.536 20 0 CHADMN CC(C)O[C@H](CN1CC[C@](C)(F)C1)c1ccccc1 ZINC000428305642 1123602862 /nfs/dbraw/zinc/60/28/62/1123602862.db2.gz LZDVPDCTMNARJU-CVEARBPZSA-N 0 1 265.372 3.587 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnn1C)c1ccc(Cl)s1 ZINC000192248299 1123647537 /nfs/dbraw/zinc/64/75/37/1123647537.db2.gz NMTJSUIAXNZINJ-DTWKUNHWSA-N 0 1 269.801 3.547 20 0 CHADMN CCN(CCC(C)(C)OC)Cc1c(F)cccc1F ZINC000346242802 1123674851 /nfs/dbraw/zinc/67/48/51/1123674851.db2.gz JUKZQVQJXPSSRG-UHFFFAOYSA-N 0 1 271.351 3.602 20 0 CHADMN Fc1ccc2c(c1)nccc2NC[C@H]1CCCS1 ZINC000301614777 1123918016 /nfs/dbraw/zinc/91/80/16/1123918016.db2.gz URXJQAZZWNOQJC-LLVKDONJSA-N 0 1 262.353 3.681 20 0 CHADMN CCCCc1noc([C@H](C)N2CCC[C@@H](C(C)C)C2)n1 ZINC000444774126 1124063352 /nfs/dbraw/zinc/06/33/52/1124063352.db2.gz VBHHAFBEAAFEKQ-UONOGXRCSA-N 0 1 279.428 3.841 20 0 CHADMN CC(C)(C)c1cc(CN2CCC[C@@H]3CCC[C@H]32)no1 ZINC000429697260 1124133849 /nfs/dbraw/zinc/13/38/49/1124133849.db2.gz TWEVFDZZTMLVJR-GXTWGEPZSA-N 0 1 262.397 3.737 20 0 CHADMN CCOc1cc(CN2[C@H](C)C[C@@H]2C)ccc1OC(F)F ZINC000526989301 1124538064 /nfs/dbraw/zinc/53/80/64/1124538064.db2.gz ICRXRCRHZPJLNU-PHIMTYICSA-N 0 1 285.334 3.669 20 0 CHADMN CCn1cc([C@@H](C)NCc2ccc(SC)s2)cn1 ZINC000449677331 1124837994 /nfs/dbraw/zinc/83/79/94/1124837994.db2.gz MIJXTTSWWLPFOW-SNVBAGLBSA-N 0 1 281.450 3.537 20 0 CHADMN CSC(C)(C)CCN[C@H](C)c1nc(C(C)(C)C)no1 ZINC000877469888 1125030182 /nfs/dbraw/zinc/03/01/82/1125030182.db2.gz AXYNCABYFVAHBN-SNVBAGLBSA-N 0 1 285.457 3.549 20 0 CHADMN CC[C@@H](NCc1cccc(F)c1)c1c(C)noc1C ZINC000121243870 1125069582 /nfs/dbraw/zinc/06/95/82/1125069582.db2.gz OUDAIQNAYWKSKS-CQSZACIVSA-N 0 1 262.328 3.671 20 0 CHADMN CC(C)CN[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000122955605 1125215426 /nfs/dbraw/zinc/21/54/26/1125215426.db2.gz XOLONYAOXGBSDP-JTQLQIEISA-N 0 1 279.771 3.697 20 0 CHADMN Clc1sccc1CN1CCC2(CCCCO2)CC1 ZINC000880458751 1125275242 /nfs/dbraw/zinc/27/52/42/1125275242.db2.gz KNWJDLLHBRPHEY-UHFFFAOYSA-N 0 1 285.840 3.937 20 0 CHADMN Cc1csc(CN2CCOC3(CCCCC3)C2)c1 ZINC001137158238 1125289023 /nfs/dbraw/zinc/28/90/23/1125289023.db2.gz JRBJKHPAWNKXRH-UHFFFAOYSA-N 0 1 265.422 3.592 20 0 CHADMN C/C=C/C[C@@H]1CCCN(Cc2nccn2C(C)C)C1 ZINC000626162224 1125381791 /nfs/dbraw/zinc/38/17/91/1125381791.db2.gz QREYYXUSUVGNIF-MBVDDHJVSA-N 0 1 261.413 3.642 20 0 CHADMN CC(C)=CCC[C@H](C)NC1(c2ncccn2)CCC1 ZINC000883313356 1125393625 /nfs/dbraw/zinc/39/36/25/1125393625.db2.gz BMSSBZGAZILQNU-AWEZNQCLSA-N 0 1 259.397 3.580 20 0 CHADMN C[C@H]1CCCN(Cc2csc(-c3ccoc3)n2)C1 ZINC000108355685 1125452780 /nfs/dbraw/zinc/45/27/80/1125452780.db2.gz HYVMRPKZSIEVBQ-NSHDSACASA-N 0 1 262.378 3.635 20 0 CHADMN Cc1csc(CN[C@H](C)c2cc3c(s2)CCC3)n1 ZINC000126248924 1125454505 /nfs/dbraw/zinc/45/45/05/1125454505.db2.gz KLIDTQJGXPTKOJ-SNVBAGLBSA-N 0 1 278.446 3.853 20 0 CHADMN COc1ccc(CN2CCCC23CC3)cc1Br ZINC001138290467 1131486959 /nfs/dbraw/zinc/48/69/59/1131486959.db2.gz IAQLLVRTPJXPNV-UHFFFAOYSA-N 0 1 296.208 3.586 20 0 CHADMN Fc1cc(OC(F)(F)F)ccc1CN1CCCC12CC2 ZINC001143781559 1131533192 /nfs/dbraw/zinc/53/31/92/1131533192.db2.gz SYVRHVDESZHABP-UHFFFAOYSA-N 0 1 289.272 3.853 20 0 CHADMN COc1ccc(CN2CC[C@@H](C)C[C@H]2C)c(F)c1F ZINC001143914641 1131554446 /nfs/dbraw/zinc/55/44/46/1131554446.db2.gz ASWQHTIVVJSUQT-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN CCCC[C@@H](CC)CC(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC001144024695 1131573405 /nfs/dbraw/zinc/57/34/05/1131573405.db2.gz NETRVUMOWNFQRM-CVEARBPZSA-N 0 1 296.499 3.782 20 0 CHADMN CCCC[C@@H](CC)CC(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC001144024695 1131573409 /nfs/dbraw/zinc/57/34/09/1131573409.db2.gz NETRVUMOWNFQRM-CVEARBPZSA-N 0 1 296.499 3.782 20 0 CHADMN Fc1cc(Cl)c(CN(CC2CC2)C2CC2)cc1F ZINC001144732483 1131696674 /nfs/dbraw/zinc/69/66/74/1131696674.db2.gz XIFNSTVPVZKMJI-UHFFFAOYSA-N 0 1 271.738 3.993 20 0 CHADMN Cc1cc([C@@H](C)NCCC[C@H]2CC2(Cl)Cl)no1 ZINC000846216943 1131699776 /nfs/dbraw/zinc/69/97/76/1131699776.db2.gz WATTZWMSRSLLGB-ZJUUUORDSA-N 0 1 277.195 3.608 20 0 CHADMN CC1(C)[C@@H]2C[N@H+](Cc3cc(Cl)c([O-])c(Cl)c3)C[C@@H]21 ZINC001140834220 1131941176 /nfs/dbraw/zinc/94/11/76/1131941176.db2.gz KRJPEAZVZOBOJV-AOOOYVTPSA-N 0 1 286.202 3.787 20 0 CHADMN C[C@@H](NCc1ccc(OC(F)F)cc1)c1ccns1 ZINC000715945962 1131998395 /nfs/dbraw/zinc/99/83/95/1131998395.db2.gz VFEGUBVFJDTCAC-SECBINFHSA-N 0 1 284.331 3.595 20 0 CHADMN Cc1cccc(CN2CCCC23CC3)c1Br ZINC001141089086 1132009848 /nfs/dbraw/zinc/00/98/48/1132009848.db2.gz HKZFAPYFYFJLCH-UHFFFAOYSA-N 0 1 280.209 3.886 20 0 CHADMN CC(C)COCC[C@@H](C)N1CCCC(F)(F)[C@H](F)C1 ZINC001172473371 1132226458 /nfs/dbraw/zinc/22/64/58/1132226458.db2.gz LSDZVGOJJITJQR-CHWSQXEVSA-N 0 1 281.362 3.507 20 0 CHADMN C[C@@]1(F)CCCN([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172718650 1132296454 /nfs/dbraw/zinc/29/64/54/1132296454.db2.gz JPQYKIWQNITNOP-HUUCEWRRSA-N 0 1 267.775 3.631 20 0 CHADMN Cc1ccc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(Cl)n1 ZINC001142125627 1132331329 /nfs/dbraw/zinc/33/13/29/1132331329.db2.gz XZPXRDMCQMXLJM-TXEJJXNPSA-N 0 1 286.753 3.521 20 0 CHADMN CC(C)Oc1ccc(CN2CCCC2)cc1Br ZINC001231724677 1132345602 /nfs/dbraw/zinc/34/56/02/1132345602.db2.gz ZKVRKCFTJSKMET-UHFFFAOYSA-N 0 1 298.224 3.832 20 0 CHADMN CCCC1CCN(Cc2cnc(F)c(C)c2)CC1 ZINC001231927178 1132402018 /nfs/dbraw/zinc/40/20/18/1132402018.db2.gz PDTWPZJYUOMMEO-UHFFFAOYSA-N 0 1 250.361 3.541 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ncc(C)cc1Br ZINC001232177038 1132431383 /nfs/dbraw/zinc/43/13/83/1132431383.db2.gz HQALNZCYMWGGRK-GFCCVEGCSA-N 0 1 297.240 3.917 20 0 CHADMN CCc1ccc(C[C@H](C)N(C)Cc2cscn2)cc1 ZINC001173242625 1132443210 /nfs/dbraw/zinc/44/32/10/1132443210.db2.gz HCRUAJBHOUNSKX-ZDUSSCGKSA-N 0 1 274.433 3.769 20 0 CHADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1csc(Cl)c1 ZINC001142775408 1132445454 /nfs/dbraw/zinc/44/54/54/1132445454.db2.gz CEVISXFOLFIGQC-FOSCPWQOSA-N 0 1 271.813 3.543 20 0 CHADMN Cc1nc(Br)ccc1CN1CCC[C@@H](C)CC1 ZINC001232319799 1132454357 /nfs/dbraw/zinc/45/43/57/1132454357.db2.gz LTPBNGHRPRBJDX-LLVKDONJSA-N 0 1 297.240 3.775 20 0 CHADMN FC(F)(F)c1ccc(CN2CC[C@@H]3CCC[C@@H]3C2)o1 ZINC001232441511 1132469119 /nfs/dbraw/zinc/46/91/19/1132469119.db2.gz PKSICFOXGOIIKZ-WDEREUQCSA-N 0 1 273.298 3.920 20 0 CHADMN C[C@@H]1CCCN(Cc2ccc(C(F)(F)F)o2)[C@@H]1C ZINC001232443723 1132471673 /nfs/dbraw/zinc/47/16/73/1132471673.db2.gz HQWMHLCHZWQINV-NXEZZACHSA-N 0 1 261.287 3.919 20 0 CHADMN Cc1cc(CN2CCCC2)cc(C)c1Br ZINC001232518727 1132483920 /nfs/dbraw/zinc/48/39/20/1132483920.db2.gz KPPWSZBKHDVNJW-UHFFFAOYSA-N 0 1 268.198 3.662 20 0 CHADMN [O-]c1c(Cl)ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1Cl ZINC001232627078 1132498934 /nfs/dbraw/zinc/49/89/34/1132498934.db2.gz ABLISYZBZQNGCU-ATZCPNFKSA-N 0 1 290.165 3.631 20 0 CHADMN COc1cc(Cl)cc(F)c1CN1C[C@@H]2CCC[C@H]2C1 ZINC001233002625 1132560427 /nfs/dbraw/zinc/56/04/27/1132560427.db2.gz ZTLCJFULYPOSPM-QWRGUYRKSA-N 0 1 283.774 3.720 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2cc(O)cc(Br)c2)C1 ZINC001232998721 1132560849 /nfs/dbraw/zinc/56/08/49/1132560849.db2.gz FEGIRMPVTPPSJQ-QWRGUYRKSA-N 0 1 298.224 3.633 20 0 CHADMN [S-]c1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC001233261550 1132590676 /nfs/dbraw/zinc/59/06/76/1132590676.db2.gz TVPVMWRBSBNHLX-CABCVRRESA-N 0 1 261.434 3.987 20 0 CHADMN COc1ccc(CN2CCC[C@@H](C)[C@H]2C)c(Cl)c1O ZINC001233400380 1132615510 /nfs/dbraw/zinc/61/55/10/1132615510.db2.gz GSGMSJJNNRFELZ-GHMZBOCLSA-N 0 1 283.799 3.675 20 0 CHADMN FC(F)(F)c1cccc(CN2CCCC23CC3)c1 ZINC001203885392 1133380425 /nfs/dbraw/zinc/38/04/25/1133380425.db2.gz KQKOYIJXPXOWKX-UHFFFAOYSA-N 0 1 255.283 3.834 20 0 CHADMN CC(C)Oc1ccc(CN2CCC[C@@](C)(F)C2)cc1 ZINC001204452034 1133449031 /nfs/dbraw/zinc/44/90/31/1133449031.db2.gz DJUPUZOBLKARFL-MRXNPFEDSA-N 0 1 265.372 3.798 20 0 CHADMN C[C@H]1CCN(Cc2cc(Cl)ccc2Cl)CC[C@H]1O ZINC001204563175 1133462800 /nfs/dbraw/zinc/46/28/00/1133462800.db2.gz YHUIYQOVOIMFIP-IINYFYTJSA-N 0 1 288.218 3.586 20 0 CHADMN Cc1c(F)cccc1CN1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001204506691 1133454685 /nfs/dbraw/zinc/45/46/85/1133454685.db2.gz DZSVASSZNOIUKO-VXGBXAGGSA-N 0 1 293.279 3.714 20 0 CHADMN Cc1cc(Nc2ccc(Cl)c(O)c2F)sn1 ZINC001214793667 1134573725 /nfs/dbraw/zinc/57/37/25/1134573725.db2.gz IOMOERGPCOEDIT-UHFFFAOYSA-N 0 1 258.705 3.693 20 0 CHADMN Oc1cc(Nc2ccc(Cl)c(O)c2F)c(F)cc1F ZINC001214801460 1134574817 /nfs/dbraw/zinc/57/48/17/1134574817.db2.gz LEGZQVHACWGPFE-UHFFFAOYSA-N 0 1 289.640 3.912 20 0 CHADMN C[C@@H](OCc1cnc[nH]1)c1ccc(F)c(Br)c1 ZINC001223008433 1135294547 /nfs/dbraw/zinc/29/45/47/1135294547.db2.gz YZDJQQIWQPZIOY-MRVPVSSYSA-N 0 1 299.143 3.589 20 0 CHADMN Cc1ncc([C@H](C)N(C)[C@H](C)c2cccs2)c(C)n1 ZINC000637919113 1129237096 /nfs/dbraw/zinc/23/70/96/1129237096.db2.gz JJRRDXBSNXWGRE-NWDGAFQWSA-N 0 1 275.421 3.909 20 0 CHADMN Cc1csc(C(C)(C)NCc2ccccc2C)n1 ZINC000116381382 1125510184 /nfs/dbraw/zinc/51/01/84/1125510184.db2.gz MUJPODSZHGSHOJ-UHFFFAOYSA-N 0 1 260.406 3.785 20 0 CHADMN Cc1ccc2oc(CN(CCCO)Cc3ccco3)cc2c1 ZINC000133759568 1125512023 /nfs/dbraw/zinc/51/20/23/1125512023.db2.gz PMGFWTJPMXITPU-UHFFFAOYSA-N 0 1 299.370 3.719 20 0 CHADMN Cc1ncc(CN(C)CCOc2cccc(Cl)c2)s1 ZINC000052100895 1125513383 /nfs/dbraw/zinc/51/33/83/1125513383.db2.gz BRWNTTJIYIDANM-UHFFFAOYSA-N 0 1 296.823 3.616 20 0 CHADMN CCc1nnc(CN2CCC[C@H]2CCC2CCCCC2)o1 ZINC000135298915 1125523698 /nfs/dbraw/zinc/52/36/98/1125523698.db2.gz YHLLFXDTBNYZNA-HNNXBMFYSA-N 0 1 291.439 3.957 20 0 CHADMN CCCCc1nc(CN2CCC[C@H]2CSC)cs1 ZINC000135450450 1125525329 /nfs/dbraw/zinc/52/53/29/1125525329.db2.gz JKEMRTYHOGFNFO-ZDUSSCGKSA-N 0 1 284.494 3.813 20 0 CHADMN CCCCc1nc(CN2CCC[C@@H]2CSC)cs1 ZINC000135450426 1125525686 /nfs/dbraw/zinc/52/56/86/1125525686.db2.gz JKEMRTYHOGFNFO-CYBMUJFWSA-N 0 1 284.494 3.813 20 0 CHADMN CN(Cc1cccc(Cl)c1)[C@@H]1CCCc2c1cnn2C ZINC000135565984 1125528172 /nfs/dbraw/zinc/52/81/72/1125528172.db2.gz QORKZXRVBJTBNR-OAHLLOKOSA-N 0 1 289.810 3.583 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)C1CCC1)c1cnccn1 ZINC000119254760 1125531448 /nfs/dbraw/zinc/53/14/48/1125531448.db2.gz PAYUQFUQSGQSBJ-GUYCJALGSA-N 0 1 267.376 3.669 20 0 CHADMN Cn1cccc1[C@H]1CCCN1Cc1cnc(C2CC2)s1 ZINC000536631076 1125537670 /nfs/dbraw/zinc/53/76/70/1125537670.db2.gz OKODWAZWZZKXBJ-OAHLLOKOSA-N 0 1 287.432 3.696 20 0 CHADMN COc1cc(C)ccc1CN[C@H](C)c1ccccc1OC ZINC000119828026 1125538657 /nfs/dbraw/zinc/53/86/57/1125538657.db2.gz LYLVFLFMWOGXJH-CQSZACIVSA-N 0 1 285.387 3.863 20 0 CHADMN Cc1ccc(CNCc2cc(Br)cs2)cn1 ZINC000057591120 1125540230 /nfs/dbraw/zinc/54/02/30/1125540230.db2.gz IPXGYHVEDYFHQU-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C)c(F)c1 ZINC000105386570 1125540367 /nfs/dbraw/zinc/54/03/67/1125540367.db2.gz XANQZGCWIQAYTE-UHFFFAOYSA-N 0 1 293.363 3.552 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCC1CCOCC1 ZINC000120627570 1125548843 /nfs/dbraw/zinc/54/88/43/1125548843.db2.gz JHDBQPQQGBLNLS-LBPRGKRZSA-N 0 1 283.362 3.774 20 0 CHADMN COCCSc1ccc([C@H](C)NCc2ccco2)cc1 ZINC000237092912 1125562043 /nfs/dbraw/zinc/56/20/43/1125562043.db2.gz KTRUICXIIFDTNO-ZDUSSCGKSA-N 0 1 291.416 3.869 20 0 CHADMN Fc1ccccc1CN1CCC(OC2CCCC2)CC1 ZINC000195317867 1125563289 /nfs/dbraw/zinc/56/32/89/1125563289.db2.gz KHEUKJGCCCOIRY-UHFFFAOYSA-N 0 1 277.383 3.749 20 0 CHADMN Cc1cc(N[C@H](C)c2ccc[nH]2)c2cc(F)ccc2n1 ZINC000760275451 1125563879 /nfs/dbraw/zinc/56/38/79/1125563879.db2.gz YXIJWSGRQDTPJI-LLVKDONJSA-N 0 1 269.323 3.605 20 0 CHADMN CCc1ccc(CN[C@H](C)c2cccc(OC)c2)nc1 ZINC000393273688 1125565137 /nfs/dbraw/zinc/56/51/37/1125565137.db2.gz TVSBJRIXLVBMOC-CYBMUJFWSA-N 0 1 270.376 3.503 20 0 CHADMN c1ccc2sc([C@@H]3CCCN3C[C@H]3CCCO3)nc2c1 ZINC000245381085 1125570542 /nfs/dbraw/zinc/57/05/42/1125570542.db2.gz AGVRSXNSXIWOMY-OCCSQVGLSA-N 0 1 288.416 3.612 20 0 CHADMN C[C@@H]1OCC[C@@H]1N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000245624263 1125584641 /nfs/dbraw/zinc/58/46/41/1125584641.db2.gz XUBFEQJEBJBHBK-TVYUQYBPSA-N 0 1 291.288 3.586 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1Cc1nnc(C(C)(C)C)o1 ZINC000135342195 1125586411 /nfs/dbraw/zinc/58/64/11/1125586411.db2.gz CQWMGDIGBLAHMG-QWHCGFSZSA-N 0 1 279.428 3.768 20 0 CHADMN CC[C@H](C)[C@H](C(=O)NOCC(C)C)c1ccccc1 ZINC000135344646 1125586516 /nfs/dbraw/zinc/58/65/16/1125586516.db2.gz DLJLCGGRVOYCKE-ZFWWWQNUSA-N 0 1 263.381 3.520 20 0 CHADMN C[C@H]1CCN(Cc2cccn2C)[C@@H](c2ccco2)C1 ZINC000245686143 1125587382 /nfs/dbraw/zinc/58/73/82/1125587382.db2.gz APDJTAIWCNCBST-DZGCQCFKSA-N 0 1 258.365 3.591 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000629364432 1125587875 /nfs/dbraw/zinc/58/78/75/1125587875.db2.gz OECFNAHVRJNFLD-YOEHRIQHSA-N 0 1 289.419 3.887 20 0 CHADMN Cc1c(C)c(C)c(CNCc2ccc(CO)o2)c(C)c1C ZINC000532932437 1125588143 /nfs/dbraw/zinc/58/81/43/1125588143.db2.gz ZHKRIICZRAMVIH-UHFFFAOYSA-N 0 1 287.403 3.604 20 0 CHADMN CCN(CC)Cc1c(C(=O)OC)sc2cccc(F)c21 ZINC000532912158 1125588911 /nfs/dbraw/zinc/58/89/11/1125588911.db2.gz XHWQEFFGLVOSIF-UHFFFAOYSA-N 0 1 295.379 3.669 20 0 CHADMN C[C@@H]1CN(Cc2cnn3ccccc23)[C@H]1c1ccccc1 ZINC000245713907 1125590206 /nfs/dbraw/zinc/59/02/06/1125590206.db2.gz GMDKFTQHDFMVPD-RDTXWAMCSA-N 0 1 277.371 3.527 20 0 CHADMN Cc1ccc(CN[C@@H](CN(C)C)c2ccc(Cl)cc2)o1 ZINC000282927176 1125592594 /nfs/dbraw/zinc/59/25/94/1125592594.db2.gz WFXNZQBWFVLCQY-INIZCTEOSA-N 0 1 292.810 3.634 20 0 CHADMN CC[C@H](N[C@H](C)c1snnc1C)c1ccc(C)cc1 ZINC000930183376 1125592832 /nfs/dbraw/zinc/59/28/32/1125592832.db2.gz ONLBAOCJHSUEQA-RISCZKNCSA-N 0 1 275.421 3.957 20 0 CHADMN CCn1cc(CN2C[C@H](C)C[C@H]2c2cccc(F)c2)cn1 ZINC000245789657 1125595001 /nfs/dbraw/zinc/59/50/01/1125595001.db2.gz VXRGVVYWMOKURK-DYVFJYSZSA-N 0 1 287.382 3.625 20 0 CHADMN CC[C@H](C)[C@H](C(=O)NOC1CCCC1)c1ccccc1 ZINC000135688672 1125595765 /nfs/dbraw/zinc/59/57/65/1125595765.db2.gz VNQDGCMHIKKTNS-BBRMVZONSA-N 0 1 275.392 3.807 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cs1 ZINC000245907018 1125597530 /nfs/dbraw/zinc/59/75/30/1125597530.db2.gz OSCKLGLCUPKBGC-OIMNJJJWSA-N 0 1 294.464 3.731 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@H](C)N1CC[C@H](C)[C@@H](C)C1 ZINC000245965033 1125601002 /nfs/dbraw/zinc/60/10/02/1125601002.db2.gz VJJYFLBXBJNCCH-RCBQFDQVSA-N 0 1 288.435 3.608 20 0 CHADMN CC(C)(C)[C@H]1CCCN1Cc1nccn1Cc1ccccc1 ZINC000533428076 1125606150 /nfs/dbraw/zinc/60/61/50/1125606150.db2.gz BKKUAPGSUIXQPY-QGZVFWFLSA-N 0 1 297.446 3.942 20 0 CHADMN C[C@@H](c1nc(C(C)(C)C)no1)N1CCCC(C)(C)CC1 ZINC000533437938 1125606386 /nfs/dbraw/zinc/60/63/86/1125606386.db2.gz VNGWUXZEIQOAIX-LBPRGKRZSA-N 0 1 279.428 3.940 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)CN(C)CC(C)(C)C ZINC000533415685 1125606411 /nfs/dbraw/zinc/60/64/11/1125606411.db2.gz LUSAIPRXTBFJSR-UHFFFAOYSA-N 0 1 282.815 3.565 20 0 CHADMN Cc1ccc2nc(CN3CC(C)(C)OC(C)(C)C3)ccc2c1 ZINC001137218523 1125610140 /nfs/dbraw/zinc/61/01/40/1125610140.db2.gz AYMPTOVOIFFOMY-UHFFFAOYSA-N 0 1 298.430 3.933 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@@H](C)c1ccnn1CC1CCC1 ZINC000925292259 1125615784 /nfs/dbraw/zinc/61/57/84/1125615784.db2.gz GLFPWNNIMUVXIQ-CABCVRRESA-N 0 1 298.434 3.798 20 0 CHADMN CC(C)c1ccc(CN2CCO[C@@]3(CCSC3)C2)cc1 ZINC000521231255 1125616579 /nfs/dbraw/zinc/61/65/79/1125616579.db2.gz ALRWEWFBJVDQHS-KRWDZBQOSA-N 0 1 291.460 3.518 20 0 CHADMN CCc1noc([C@H](C)N2CCC[C@]3(CC=CCC3)C2)n1 ZINC000246333332 1125619690 /nfs/dbraw/zinc/61/96/90/1125619690.db2.gz GXKSTVBULJTCAU-XJKSGUPXSA-N 0 1 275.396 3.515 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1CCC[C@H](C)CC1 ZINC000068830210 1125627523 /nfs/dbraw/zinc/62/75/23/1125627523.db2.gz ADQHUHKOFRZOJQ-AWEZNQCLSA-N 0 1 288.435 3.618 20 0 CHADMN CCCC[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000067374527 1125626291 /nfs/dbraw/zinc/62/62/91/1125626291.db2.gz QEPHQZQZBUMFCV-UHFFFAOYSA-N 0 1 250.367 3.635 20 0 CHADMN CCCCN(C)Cc1ncc(-c2cccs2)o1 ZINC000067374527 1125626294 /nfs/dbraw/zinc/62/62/94/1125626294.db2.gz QEPHQZQZBUMFCV-UHFFFAOYSA-N 0 1 250.367 3.635 20 0 CHADMN Cc1coc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000885935653 1125628830 /nfs/dbraw/zinc/62/88/30/1125628830.db2.gz PBUPHUOFYRNSOM-GOSISDBHSA-N 0 1 299.370 3.600 20 0 CHADMN CC(C)(NC/C=C\c1cccc(F)c1)c1nccs1 ZINC000885990783 1125633282 /nfs/dbraw/zinc/63/32/82/1125633282.db2.gz PINIMEYADNYPDI-XQRVVYSFSA-N 0 1 276.380 3.820 20 0 CHADMN Oc1ccc(C2=CCN(Cc3ccccc3F)CC2)cc1 ZINC000071813507 1125633498 /nfs/dbraw/zinc/63/34/98/1125633498.db2.gz ARRYXHDNOIJQIV-UHFFFAOYSA-N 0 1 283.346 3.821 20 0 CHADMN C[C@@H]1CCC[C@@H](N(C)Cc2nccn2Cc2ccccc2)C1 ZINC000073620136 1125638135 /nfs/dbraw/zinc/63/81/35/1125638135.db2.gz CIRNMTWZBOAGHH-SJLPKXTDSA-N 0 1 297.446 3.942 20 0 CHADMN Cc1coc(-c2ccc(C)c(NCc3n[nH]c(C)c3C)c2)n1 ZINC000886040390 1125639229 /nfs/dbraw/zinc/63/92/29/1125639229.db2.gz XKGSBOYVKVZBLG-UHFFFAOYSA-N 0 1 296.374 3.910 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN(C[C@@H]2CCCO2)C2CC2)o1 ZINC000073871807 1125640069 /nfs/dbraw/zinc/64/00/69/1125640069.db2.gz QDSYQXPOMBSLOJ-IVMMDQJWSA-N 0 1 275.392 3.546 20 0 CHADMN Cc1csc(C(C)(C)NCCSC(F)(F)F)n1 ZINC000886066615 1125643397 /nfs/dbraw/zinc/64/33/97/1125643397.db2.gz BBGWECABPCXXPN-UHFFFAOYSA-N 0 1 284.372 3.529 20 0 CHADMN Cc1cscc1CNCc1ccccc1OCC(F)F ZINC000886094421 1125645759 /nfs/dbraw/zinc/64/57/59/1125645759.db2.gz RHQGEXZFPXGGGX-UHFFFAOYSA-N 0 1 297.370 3.990 20 0 CHADMN CCOC(=O)c1cccc(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213075427 1125646717 /nfs/dbraw/zinc/64/67/17/1125646717.db2.gz SIMOTQHXDDILID-UHFFFAOYSA-N 0 1 295.342 3.792 20 0 CHADMN CC[C@H](NCCOC1CCCCC1)c1nc(C)cs1 ZINC000886125586 1125653044 /nfs/dbraw/zinc/65/30/44/1125653044.db2.gz WPHBOVKALSNDDP-AWEZNQCLSA-N 0 1 282.453 3.842 20 0 CHADMN CCCc1ncc(CNC/C=C/c2cccc(F)c2)o1 ZINC000886136287 1125655638 /nfs/dbraw/zinc/65/56/38/1125655638.db2.gz KEYKPRGIWVNHPZ-QPJJXVBHSA-N 0 1 274.339 3.569 20 0 CHADMN CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1nccn1CC ZINC000075885926 1125659443 /nfs/dbraw/zinc/65/94/43/1125659443.db2.gz DFKLZKDKFYTNFV-KRWDZBQOSA-N 0 1 285.435 3.665 20 0 CHADMN c1[nH]nc2cc(N[C@@H]3CCOC4(CCCCC4)C3)ccc12 ZINC000886186295 1125660447 /nfs/dbraw/zinc/66/04/47/1125660447.db2.gz UVXWYZSQKSCJGI-OAHLLOKOSA-N 0 1 285.391 3.857 20 0 CHADMN c1cncc(C2=CCCN(CCOC3CCCCC3)C2)c1 ZINC000886206135 1125661836 /nfs/dbraw/zinc/66/18/36/1125661836.db2.gz JPANXWLHFYBBGO-UHFFFAOYSA-N 0 1 286.419 3.520 20 0 CHADMN C[C@H]1CCCCN1Cc1nnc(-c2ccccc2Cl)o1 ZINC000248131794 1125662849 /nfs/dbraw/zinc/66/28/49/1125662849.db2.gz YVBVSYSYOOGICO-NSHDSACASA-N 0 1 291.782 3.764 20 0 CHADMN C[C@@H](C(=O)Nc1cc(Cl)ccc1F)N1CC[C@@H](C)[C@@H]1C ZINC000248371567 1125664881 /nfs/dbraw/zinc/66/48/81/1125664881.db2.gz YUEXSQRVYWGOEX-VWYCJHECSA-N 0 1 298.789 3.536 20 0 CHADMN C[C@H](N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1ncco1 ZINC000886274356 1125665490 /nfs/dbraw/zinc/66/54/90/1125665490.db2.gz RDDVXILQBIUMPB-WHOFXGATSA-N 0 1 274.339 3.801 20 0 CHADMN Cc1oncc1CN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000248547778 1125667777 /nfs/dbraw/zinc/66/77/77/1125667777.db2.gz FGSUCDFBMKLJTD-RISCZKNCSA-N 0 1 260.337 3.549 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1CC[C@@]2(CCOC2)C1 ZINC000248549324 1125667821 /nfs/dbraw/zinc/66/78/21/1125667821.db2.gz HHAIFEROGHDWDY-IAQYHMDHSA-N 0 1 283.774 3.653 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN(C[C@H]2CCCO2)C2CC2)o1 ZINC000248770360 1125674170 /nfs/dbraw/zinc/67/41/70/1125674170.db2.gz QDSYQXPOMBSLOJ-XPKDYRNWSA-N 0 1 275.392 3.546 20 0 CHADMN CCn1ccnc1CN1CCC[C@@H]1c1cccc(C)c1 ZINC000076292751 1125675509 /nfs/dbraw/zinc/67/55/09/1125675509.db2.gz JWEBPNJPFZPHDN-MRXNPFEDSA-N 0 1 269.392 3.549 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCCCCC2)[C@H]2CCC[C@@H]21 ZINC000629373543 1125678672 /nfs/dbraw/zinc/67/86/72/1125678672.db2.gz JHQXSORDHPEHEG-OAGGEKHMSA-N 0 1 279.424 3.532 20 0 CHADMN Clc1cccc2c1CC[C@@H]2N[C@@H]1CCc2cccnc21 ZINC000886516668 1125682988 /nfs/dbraw/zinc/68/29/88/1125682988.db2.gz SNQMSWVVKLOTPI-JKSUJKDBSA-N 0 1 284.790 3.999 20 0 CHADMN CC(C)OCc1ccccc1CN[C@H]1CCc2cccnc21 ZINC000886512729 1125683240 /nfs/dbraw/zinc/68/32/40/1125683240.db2.gz LYUJOTQQDFONQX-SFHVURJKSA-N 0 1 296.414 3.784 20 0 CHADMN CCn1ccnc1CN(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000076732929 1125684665 /nfs/dbraw/zinc/68/46/65/1125684665.db2.gz RTGVNQFKHRLKQO-ZDUSSCGKSA-N 0 1 291.826 3.619 20 0 CHADMN CCc1cnc(CN2CC[C@@H](C)[C@H]2c2ccccc2)o1 ZINC000886545096 1125688218 /nfs/dbraw/zinc/68/82/18/1125688218.db2.gz HBGPGNLVIJCEQM-DYVFJYSZSA-N 0 1 270.376 3.820 20 0 CHADMN Cc1nc(CN2CC[C@H](C)[C@H]2c2ccccc2)oc1C ZINC000886546183 1125688484 /nfs/dbraw/zinc/68/84/84/1125688484.db2.gz ZMSLKNHMSDUCLH-SJCJKPOMSA-N 0 1 270.376 3.875 20 0 CHADMN Cc1nc(CN2CC[C@@H](C)[C@H]2c2ccccc2)oc1C ZINC000886546182 1125688743 /nfs/dbraw/zinc/68/87/43/1125688743.db2.gz ZMSLKNHMSDUCLH-PXAZEXFGSA-N 0 1 270.376 3.875 20 0 CHADMN CCCCC[C@@H](O)CNc1ccc(N(CC)CC)cc1 ZINC001253523567 1125691592 /nfs/dbraw/zinc/69/15/92/1125691592.db2.gz ZQOHPJFCNNMFRJ-QGZVFWFLSA-N 0 1 278.440 3.886 20 0 CHADMN Fc1ccc2c(c1)OCCC[C@H]2N[C@@H]1CCc2cccnc21 ZINC000886580679 1125692709 /nfs/dbraw/zinc/69/27/09/1125692709.db2.gz USIHRISRWZOSRQ-HZPDHXFCSA-N 0 1 298.361 3.712 20 0 CHADMN CC(C)N(Cc1nccn1Cc1ccccc1)C1CCC1 ZINC000077357659 1125693377 /nfs/dbraw/zinc/69/33/77/1125693377.db2.gz ZCQLPJGPTLZMMJ-UHFFFAOYSA-N 0 1 283.419 3.694 20 0 CHADMN Cc1nc2c(s1)[C@@H](N[C@@H]1CCc3cccnc31)CCC2 ZINC000886587699 1125694000 /nfs/dbraw/zinc/69/40/00/1125694000.db2.gz DAOSONIURXWULZ-OCCSQVGLSA-N 0 1 285.416 3.501 20 0 CHADMN CO[C@@H]1CCC[C@H](Nc2ccc3c(c2)nc(C)n3C)CC1 ZINC000886585852 1125694524 /nfs/dbraw/zinc/69/45/24/1125694524.db2.gz GVUIMIXZLFZURX-DZGCQCFKSA-N 0 1 287.407 3.641 20 0 CHADMN CN1CCC[C@@H](N[C@@H]2CCc3cccnc32)c2ccccc21 ZINC000886622652 1125699187 /nfs/dbraw/zinc/69/91/87/1125699187.db2.gz ZNDDZPYZXUEACN-IAGOWNOFSA-N 0 1 293.414 3.630 20 0 CHADMN Fc1cccc(C2(N[C@H]3CCc4cccnc43)CCC2)c1 ZINC000886630100 1125699974 /nfs/dbraw/zinc/69/99/74/1125699974.db2.gz UZEGOBSNIRGTEC-INIZCTEOSA-N 0 1 282.362 3.877 20 0 CHADMN CC(C)[C@H](NCc1cscc1Cl)c1cnn(C)c1 ZINC000886658120 1125703536 /nfs/dbraw/zinc/70/35/36/1125703536.db2.gz PYZHSXLQBSXXJH-ZDUSSCGKSA-N 0 1 283.828 3.622 20 0 CHADMN CCSc1ccc(CN[C@@H]2CCc3cccnc32)cc1 ZINC000886650284 1125704399 /nfs/dbraw/zinc/70/43/99/1125704399.db2.gz SZQLANGILUJHGI-MRXNPFEDSA-N 0 1 284.428 3.971 20 0 CHADMN Clc1ccsc1CN1CCC[C@H](c2ncccn2)C1 ZINC000886686727 1125708741 /nfs/dbraw/zinc/70/87/41/1125708741.db2.gz WGNWRTWLBMVQGF-NSHDSACASA-N 0 1 293.823 3.571 20 0 CHADMN Cc1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)c(F)c1 ZINC000078302035 1125711341 /nfs/dbraw/zinc/71/13/41/1125711341.db2.gz MBRHPYVXAUHKRG-UHFFFAOYSA-N 0 1 295.317 3.777 20 0 CHADMN C[C@@H](NC[C@H]1CCC2(CCC2)CO1)c1cccnc1Cl ZINC000886730443 1125712985 /nfs/dbraw/zinc/71/29/85/1125712985.db2.gz COCLGNZIWJKNOQ-CHWSQXEVSA-N 0 1 294.826 3.735 20 0 CHADMN Cc1ncc(CN[C@H](C)c2cccc(OC(F)F)c2)s1 ZINC000037505628 1125720015 /nfs/dbraw/zinc/72/00/15/1125720015.db2.gz PXMUBBJKWXHQDY-SECBINFHSA-N 0 1 298.358 3.904 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886829680 1125722740 /nfs/dbraw/zinc/72/27/40/1125722740.db2.gz FLWFFYLAJQZXAG-MCIONIFRSA-N 0 1 292.423 3.534 20 0 CHADMN Clc1ccncc1CN1CCC[C@H](c2ccccn2)C1 ZINC001137236675 1125728886 /nfs/dbraw/zinc/72/88/86/1125728886.db2.gz LRRSSYCTZWBWPQ-ZDUSSCGKSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1ccccc1[C@H]1C[N@@H+](CC2CCSCC2)CCO1 ZINC000638092265 1129244141 /nfs/dbraw/zinc/24/41/41/1129244141.db2.gz VKCQKEYFEALPEB-QGZVFWFLSA-N 0 1 291.460 3.512 20 0 CHADMN Cc1ccccc1[C@H]1CN(CC2CCSCC2)CCO1 ZINC000638092265 1129244146 /nfs/dbraw/zinc/24/41/46/1129244146.db2.gz VKCQKEYFEALPEB-QGZVFWFLSA-N 0 1 291.460 3.512 20 0 CHADMN CC[C@H](Sc1ccccc1)c1nc(C2(N)CCC2)no1 ZINC000261724953 1125741226 /nfs/dbraw/zinc/74/12/26/1125741226.db2.gz JUOYSRXBXPKNER-LBPRGKRZSA-N 0 1 289.404 3.651 20 0 CHADMN CC[C@H](C)N[C@@H](c1ccco1)c1ccccc1OC ZINC000090534396 1125743074 /nfs/dbraw/zinc/74/30/74/1125743074.db2.gz KGHGTNVEDFAKKK-BLLLJJGKSA-N 0 1 259.349 3.766 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1cccc(Cl)n1 ZINC000091439328 1125750461 /nfs/dbraw/zinc/75/04/61/1125750461.db2.gz PIYOCKUCWGBILR-JTQLQIEISA-N 0 1 266.797 3.990 20 0 CHADMN OCCCN(Cc1sc2ccccc2c1Cl)C1CC1 ZINC000404251415 1125751273 /nfs/dbraw/zinc/75/12/73/1125751273.db2.gz AHNNUDUGCMYINT-UHFFFAOYSA-N 0 1 295.835 3.902 20 0 CHADMN C[C@H](CN[C@@H](C)c1nccs1)Sc1ccccc1 ZINC000091730292 1125752944 /nfs/dbraw/zinc/75/29/44/1125752944.db2.gz VUHWNNABQKAKKI-NEPJUHHUSA-N 0 1 278.446 3.975 20 0 CHADMN C[C@@H](NC1(C2CC2)CCC1)c1nc(-c2cccs2)no1 ZINC000887144941 1125753586 /nfs/dbraw/zinc/75/35/86/1125753586.db2.gz GVOLHBQUYWQEQB-SNVBAGLBSA-N 0 1 289.404 3.781 20 0 CHADMN C[C@@H](NC1(C2CC2)CCC1)c1nnc(-c2cccs2)o1 ZINC000887145109 1125753748 /nfs/dbraw/zinc/75/37/48/1125753748.db2.gz NVKZHDTXXJWTCR-SNVBAGLBSA-N 0 1 289.404 3.781 20 0 CHADMN Cc1cccnc1CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000093158000 1125764449 /nfs/dbraw/zinc/76/44/49/1125764449.db2.gz LITZPKYZKQTWKD-LBPRGKRZSA-N 0 1 276.330 3.861 20 0 CHADMN Cc1ccc(SCCN[C@@H](C)c2nccs2)cc1 ZINC000093370282 1125768381 /nfs/dbraw/zinc/76/83/81/1125768381.db2.gz QCAQBLZXXDQZAR-LBPRGKRZSA-N 0 1 278.446 3.894 20 0 CHADMN COC1CCC(=Nc2ncc(C)cc2Cl)CC1 ZINC001212874665 1129244779 /nfs/dbraw/zinc/24/47/79/1129244779.db2.gz DAFPYLRCOCUKQH-LLVKDONJSA-N 0 1 252.745 3.538 20 0 CHADMN Cc1cccc2nc(CCC(=O)N(C)C3(C)CCCC3)[nH]c21 ZINC000428661240 1125785898 /nfs/dbraw/zinc/78/58/98/1125785898.db2.gz RCWHHUJGSMHOTN-UHFFFAOYSA-N 0 1 299.418 3.595 20 0 CHADMN COC(=O)c1ccc([C@@H]2CCCC[N@H+]2Cc2ccc[nH]2)cc1 ZINC001204013583 1125786031 /nfs/dbraw/zinc/78/60/31/1125786031.db2.gz WGUPZNIMFPKYRB-KRWDZBQOSA-N 0 1 298.386 3.529 20 0 CHADMN COC(=O)c1ccc([C@@H]2CCCCN2Cc2ccc[nH]2)cc1 ZINC001204013583 1125786038 /nfs/dbraw/zinc/78/60/38/1125786038.db2.gz WGUPZNIMFPKYRB-KRWDZBQOSA-N 0 1 298.386 3.529 20 0 CHADMN CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccc(C(F)F)nc2)C1(C)C ZINC000638159046 1129245834 /nfs/dbraw/zinc/24/58/34/1129245834.db2.gz NTNQZMSPYAMWDZ-BBRMVZONSA-N 0 1 298.377 3.655 20 0 CHADMN F[C@H]1CCN(Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001238688666 1131232128 /nfs/dbraw/zinc/23/21/28/1131232128.db2.gz UZTHLRHYUYGTFR-HNNXBMFYSA-N 0 1 290.769 3.946 20 0 CHADMN C[C@H](NCc1coc(-c2cccs2)n1)[C@H]1CC1(F)F ZINC000638433096 1129258999 /nfs/dbraw/zinc/25/89/99/1129258999.db2.gz WEACELJQODYXLS-WCBMZHEXSA-N 0 1 284.331 3.536 20 0 CHADMN COC1CCC(=Nc2ncnc(Cl)c2C(C)C)CC1 ZINC001212878756 1129281328 /nfs/dbraw/zinc/28/13/28/1129281328.db2.gz VLXBVPSXNNDDIJ-LLVKDONJSA-N 0 1 281.787 3.748 20 0 CHADMN CC(=O)CN[C@@H](c1oc2ccccc2c1C)C(C)C ZINC000639564483 1129323734 /nfs/dbraw/zinc/32/37/34/1129323734.db2.gz GUCZPPIAPZREJJ-OAHLLOKOSA-N 0 1 259.349 3.617 20 0 CHADMN CC[C@H](C(=O)OCc1ccc(Cl)cc1)N(CC)CC ZINC000735991247 1129364606 /nfs/dbraw/zinc/36/46/06/1129364606.db2.gz WRXOJWVKQSAHLL-CQSZACIVSA-N 0 1 283.799 3.504 20 0 CHADMN CC[C@@H](C(=O)OCc1cccc(Cl)c1)N(CC)CC ZINC000741033643 1129426740 /nfs/dbraw/zinc/42/67/40/1129426740.db2.gz WZZBIDJMRHTHQS-AWEZNQCLSA-N 0 1 283.799 3.504 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1ncc(C(C)C)s1 ZINC000742126005 1129467831 /nfs/dbraw/zinc/46/78/31/1129467831.db2.gz NEAQZOAKKJPEFY-UHFFFAOYSA-N 0 1 297.468 3.717 20 0 CHADMN Cc1nc(C(C)C)ccc1CN(C)CCOC(C)(C)C ZINC000645092026 1129486981 /nfs/dbraw/zinc/48/69/81/1129486981.db2.gz NRGNBMUWVBWZME-UHFFFAOYSA-N 0 1 278.440 3.760 20 0 CHADMN CCCCCC[C@@](C)(CCC)C(=O)N[C@H]1CCCN(C)C1 ZINC000742641081 1129492712 /nfs/dbraw/zinc/49/27/12/1129492712.db2.gz ZNEQDNLXMXZDSA-FUHWJXTLSA-N 0 1 296.499 3.974 20 0 CHADMN COc1ccsc1CN1CC(C)(c2ccccc2)C1 ZINC000621734463 1129188575 /nfs/dbraw/zinc/18/85/75/1129188575.db2.gz NEJWNNVOMJMVIV-UHFFFAOYSA-N 0 1 273.401 3.530 20 0 CHADMN Fc1ccccc1CN1CC(Cc2ccsc2)C1 ZINC000621741401 1129189317 /nfs/dbraw/zinc/18/93/17/1129189317.db2.gz QIDILQPNQPRHDY-UHFFFAOYSA-N 0 1 261.365 3.562 20 0 CHADMN CO[C@H](C)c1cccc(N[C@H](C)c2cn[nH]c2C)c1 ZINC000181210335 1129543237 /nfs/dbraw/zinc/54/32/37/1129543237.db2.gz AHJNRFZAIUAOAX-ZYHUDNBSSA-N 0 1 259.353 3.599 20 0 CHADMN CCOc1ccc(C)c(CN(C)Cc2ccc(C)nc2)c1 ZINC001238710443 1131235188 /nfs/dbraw/zinc/23/51/88/1131235188.db2.gz CZEMQMMZCKBLKM-UHFFFAOYSA-N 0 1 284.403 3.729 20 0 CHADMN CSc1ncc(C)cc1CN1CCC[C@@H]1c1cccnc1 ZINC001238710450 1131235282 /nfs/dbraw/zinc/23/52/82/1131235282.db2.gz CVGJNUHAYRXDKC-MRXNPFEDSA-N 0 1 299.443 3.844 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1ccnc(Br)c1 ZINC001241710154 1129605755 /nfs/dbraw/zinc/60/57/55/1129605755.db2.gz ILWJXQOKLKVVMR-UHFFFAOYSA-N 0 1 288.148 3.696 20 0 CHADMN c1csc(C(NC2CSC2)c2cccs2)c1 ZINC000390342943 1129658025 /nfs/dbraw/zinc/65/80/25/1129658025.db2.gz NLCGCBDDXKFLTQ-UHFFFAOYSA-N 0 1 267.444 3.604 20 0 CHADMN COc1ccc(Cl)cc1CN1CC[C@]2(CC2(F)F)C1 ZINC000649899986 1129684821 /nfs/dbraw/zinc/68/48/21/1129684821.db2.gz RBTLCQLPIMBPMB-ZDUSSCGKSA-N 0 1 287.737 3.580 20 0 CHADMN CSc1ncc(C)cc1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001238708820 1131236029 /nfs/dbraw/zinc/23/60/29/1131236029.db2.gz FAKPKVLKCKUCBW-BETUJISGSA-N 0 1 298.402 3.589 20 0 CHADMN CSc1ncc(C)cc1CN1CCC[C@H]1c1cccnc1 ZINC001238710447 1131236107 /nfs/dbraw/zinc/23/61/07/1131236107.db2.gz CVGJNUHAYRXDKC-INIZCTEOSA-N 0 1 299.443 3.844 20 0 CHADMN CC(C)C[N@@H+](Cc1ccc(Cl)cc1)CC(C)(C)C(=O)[O-] ZINC000901840273 1129958949 /nfs/dbraw/zinc/95/89/49/1129958949.db2.gz FXKFJQQMEIXMTH-UHFFFAOYSA-N 0 1 297.826 3.909 20 0 CHADMN CC(C)C[N@@H+](C[C@@H]1CCCC[C@@H]1C)CC(C)(C)C(=O)[O-] ZINC000901840894 1129959456 /nfs/dbraw/zinc/95/94/56/1129959456.db2.gz QIPAINAYFNXHTM-GJZGRUSLSA-N 0 1 283.456 3.882 20 0 CHADMN Cc1cn[nH]c1CSCc1csc(C(C)(C)C)n1 ZINC000902306744 1129998526 /nfs/dbraw/zinc/99/85/26/1129998526.db2.gz NBLQCIJMUPPKEP-UHFFFAOYSA-N 0 1 281.450 3.906 20 0 CHADMN Cc1cn[nH]c1CSCc1ncc(Cl)cc1Cl ZINC000902356632 1130002939 /nfs/dbraw/zinc/00/29/39/1130002939.db2.gz TUWCXELWTGUNMG-UHFFFAOYSA-N 0 1 288.203 3.853 20 0 CHADMN COc1cccc([C@@H](C)N[C@H](C)c2ccncc2F)c1 ZINC000338006417 1126708597 /nfs/dbraw/zinc/70/85/97/1126708597.db2.gz BOLDERLKXCOBNG-VXGBXAGGSA-N 0 1 274.339 3.641 20 0 CHADMN COc1cccc([C@@H](C)N[C@@H](C)c2ccncc2F)c1 ZINC000338006411 1126708685 /nfs/dbraw/zinc/70/86/85/1126708685.db2.gz BOLDERLKXCOBNG-NEPJUHHUSA-N 0 1 274.339 3.641 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C3(C(C)C)CCC3)cc(F)c12 ZINC001142652651 1126709803 /nfs/dbraw/zinc/70/98/03/1126709803.db2.gz UCTDBBADKKZQDM-UHFFFAOYSA-N 0 1 289.354 3.775 20 0 CHADMN COc1cc2c(cc1F)CC[C@@H]2N[C@@H](C)c1cncs1 ZINC000338011059 1126710049 /nfs/dbraw/zinc/71/00/49/1126710049.db2.gz MGJMSTICJNJZIO-ZANVPECISA-N 0 1 292.379 3.629 20 0 CHADMN CC(C)CC[C@H](O)CN(C)Cc1ccccc1Cl ZINC000481741150 1126710994 /nfs/dbraw/zinc/71/09/94/1126710994.db2.gz JGOWFBYWUITEKB-AWEZNQCLSA-N 0 1 269.816 3.569 20 0 CHADMN Cc1cccc([C@@H](C)N[C@@H](C)c2ccncc2F)c1 ZINC000338013660 1126711088 /nfs/dbraw/zinc/71/10/88/1126711088.db2.gz FMTFZTHOUOGHJJ-OLZOCXBDSA-N 0 1 258.340 3.941 20 0 CHADMN C[C@@H](c1ccccn1)N(C)Cc1cc2ccncc2s1 ZINC000667948496 1126715787 /nfs/dbraw/zinc/71/57/87/1126715787.db2.gz AWZYLOXPPHTTHR-LBPRGKRZSA-N 0 1 283.400 3.884 20 0 CHADMN CCc1ccc(C2=CCN(Cc3cnc(C)n3C)CC2)cc1 ZINC000667958388 1126718607 /nfs/dbraw/zinc/71/86/07/1126718607.db2.gz LFLUMNUSVPMYJF-UHFFFAOYSA-N 0 1 295.430 3.580 20 0 CHADMN CCc1nc([C@H](C)S[C@@H](C)c2ccccc2)n[nH]1 ZINC000600603558 1126722247 /nfs/dbraw/zinc/72/22/47/1126722247.db2.gz MLZJAUHPZDENLT-QWRGUYRKSA-N 0 1 261.394 3.923 20 0 CHADMN Fc1ccc(Cl)cc1CNCc1ccc2c(c1)COC2 ZINC000338193693 1126723098 /nfs/dbraw/zinc/72/30/98/1126723098.db2.gz HJLYSIDRLGLAAW-UHFFFAOYSA-N 0 1 291.753 3.799 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](NCc1ncc[nH]1)CCC2 ZINC000136242977 1126724577 /nfs/dbraw/zinc/72/45/77/1126724577.db2.gz ZQOHUBQLRCYPJF-MRXNPFEDSA-N 0 1 269.392 3.700 20 0 CHADMN C[C@@H]1c2ccccc2OCCN1Cc1ccc2c(c1)CCO2 ZINC000600635019 1126729329 /nfs/dbraw/zinc/72/93/29/1126729329.db2.gz GBFMLYSTNWJTTE-CQSZACIVSA-N 0 1 295.382 3.577 20 0 CHADMN COc1c(Br)cccc1CN1C[C@@H](C)C[C@@H]1C ZINC000481992152 1126738247 /nfs/dbraw/zinc/73/82/47/1126738247.db2.gz QBFZTSFWMYGBDB-QWRGUYRKSA-N 0 1 298.224 3.688 20 0 CHADMN CC(C)c1noc(CN(C)[C@@H](C)C2CCCCC2)n1 ZINC000338363668 1126738440 /nfs/dbraw/zinc/73/84/40/1126738440.db2.gz AYJKYHFVDWUHJN-LBPRGKRZSA-N 0 1 265.401 3.594 20 0 CHADMN Cc1cc2[nH]c(C[N@@H+](C)C[C@@H]3CCCCO3)cc2c(C)c1 ZINC000482008964 1126738691 /nfs/dbraw/zinc/73/86/91/1126738691.db2.gz OJDYPUHIXQXRIO-INIZCTEOSA-N 0 1 286.419 3.786 20 0 CHADMN CC(C)c1ccc(CN2CCC[C@H]2C(C)(C)O)c(Cl)n1 ZINC001238730529 1131237926 /nfs/dbraw/zinc/23/79/26/1131237926.db2.gz GQMVBUBKVIUAGJ-AWEZNQCLSA-N 0 1 296.842 3.594 20 0 CHADMN CSCCCNC(C)(C)c1nc(C(F)(F)F)cs1 ZINC000348500768 1126742141 /nfs/dbraw/zinc/74/21/41/1126742141.db2.gz XJAVPSVRRDHDBL-UHFFFAOYSA-N 0 1 298.399 3.740 20 0 CHADMN C=Cn1cc(CN(C)C/C(C)=C\c2ccccc2)cn1 ZINC000567888262 1126742456 /nfs/dbraw/zinc/74/24/56/1126742456.db2.gz QZTYWCHJKDBSRI-GDNBJRDFSA-N 0 1 267.376 3.519 20 0 CHADMN COc1cccc(C2(NCc3sc(C)nc3C)CC2)c1 ZINC000150903251 1126747434 /nfs/dbraw/zinc/74/74/34/1126747434.db2.gz CKDMDWNHLLVAJL-UHFFFAOYSA-N 0 1 288.416 3.547 20 0 CHADMN COC(=O)CCCN1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444797260 1126748726 /nfs/dbraw/zinc/74/87/26/1126748726.db2.gz XXFIYCXJLMFKIT-HNNXBMFYSA-N 0 1 295.810 3.820 20 0 CHADMN C[C@@H](N[C@H]1CCCC12CC2)c1nc(Cc2ccccc2)no1 ZINC000668051511 1126756942 /nfs/dbraw/zinc/75/69/42/1126756942.db2.gz RLKAIVSCALIPBX-HIFRSBDPSA-N 0 1 297.402 3.644 20 0 CHADMN COc1ccsc1CN1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000482505844 1126762417 /nfs/dbraw/zinc/76/24/17/1126762417.db2.gz ILHLKQWQNPNEDT-NXEZZACHSA-N 0 1 293.354 3.920 20 0 CHADMN C[C@H](NCc1ccc(F)c(F)c1)c1ccnn1C1CCC1 ZINC000924783957 1126769873 /nfs/dbraw/zinc/76/98/73/1126769873.db2.gz QASIUXJJRVEQQG-NSHDSACASA-N 0 1 291.345 3.737 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cncc(F)c2)cc1F ZINC000162301608 1126770350 /nfs/dbraw/zinc/77/03/50/1126770350.db2.gz SLTKYVCEGFITRT-MNOVXSKESA-N 0 1 292.329 3.780 20 0 CHADMN CC(C)COc1ccccc1CN[C@@H](C)c1ccncc1 ZINC000173985529 1126765340 /nfs/dbraw/zinc/76/53/40/1126765340.db2.gz VHYPHJAZECTQAT-HNNXBMFYSA-N 0 1 284.403 3.967 20 0 CHADMN C[C@H](Nc1cc2c(cn1)CCC2)c1cc2cnccc2o1 ZINC000668196754 1126765441 /nfs/dbraw/zinc/76/54/41/1126765441.db2.gz VUPYDDMRHCTXBM-NSHDSACASA-N 0 1 279.343 3.885 20 0 CHADMN CSCCCN[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000174111326 1126766814 /nfs/dbraw/zinc/76/68/14/1126766814.db2.gz WRVYQXCKHDMEMS-LBPRGKRZSA-N 0 1 276.405 3.745 20 0 CHADMN CN(Cc1nc(Cc2ccccc2)no1)[C@H]1CCC(C)(C)C1 ZINC000483104659 1126767456 /nfs/dbraw/zinc/76/74/56/1126767456.db2.gz ISXQORJYQMSKRY-HNNXBMFYSA-N 0 1 299.418 3.671 20 0 CHADMN CCN(CC1CCC1)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000483131879 1126769488 /nfs/dbraw/zinc/76/94/88/1126769488.db2.gz SKHOOBNNRUDXMA-NSHDSACASA-N 0 1 265.401 3.550 20 0 CHADMN CCc1cccc2cc(CN3CC4(CC(F)C4)C3)oc21 ZINC000668232256 1126780773 /nfs/dbraw/zinc/78/07/73/1126780773.db2.gz JFYWJMZYCJPFEJ-UHFFFAOYSA-N 0 1 273.351 3.929 20 0 CHADMN CC(C)(C)[C@H]1CCC[N@@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000483259725 1126776613 /nfs/dbraw/zinc/77/66/13/1126776613.db2.gz NHIXJELBVNKJCR-HNNXBMFYSA-N 0 1 299.418 3.995 20 0 CHADMN CC(C)(C)[C@H]1CCCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000483259725 1126776616 /nfs/dbraw/zinc/77/66/16/1126776616.db2.gz NHIXJELBVNKJCR-HNNXBMFYSA-N 0 1 299.418 3.995 20 0 CHADMN COc1ccc(-c2cnc(CN3CCC(C)=C(C)C3)o2)cc1 ZINC000483336080 1126781375 /nfs/dbraw/zinc/78/13/75/1126781375.db2.gz DZJQEEUJXDYANZ-UHFFFAOYSA-N 0 1 298.386 3.892 20 0 CHADMN CC(C)(C)[C@@H]1CCN(Cc2ccsc2Cl)C[C@H]1O ZINC000483319081 1126781418 /nfs/dbraw/zinc/78/14/18/1126781418.db2.gz JLNKZFAWVOBEKI-VXGBXAGGSA-N 0 1 287.856 3.630 20 0 CHADMN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)Cc1ccon1 ZINC000175429603 1126782408 /nfs/dbraw/zinc/78/24/08/1126782408.db2.gz UTGWNFYJTQAKFU-VXGBXAGGSA-N 0 1 278.783 3.952 20 0 CHADMN Cc1noc([C@@H](C)NC[C@@H](C)CC2CCCCC2)n1 ZINC000483347329 1126782663 /nfs/dbraw/zinc/78/26/63/1126782663.db2.gz UYBVPPCXHMCZIC-NWDGAFQWSA-N 0 1 265.401 3.635 20 0 CHADMN CCCC1CCC(N(C)Cc2cn(C(C)(C)C)nn2)CC1 ZINC000483413091 1126785490 /nfs/dbraw/zinc/78/54/90/1126785490.db2.gz GLWBFPDBKCGPPC-UHFFFAOYSA-N 0 1 292.471 3.824 20 0 CHADMN CC[C@@H]1CC[C@H](C)N1Cc1cncc(Br)c1 ZINC000163219960 1126800825 /nfs/dbraw/zinc/80/08/25/1126800825.db2.gz QZXSQVJXYLTNPR-GXFFZTMASA-N 0 1 283.213 3.607 20 0 CHADMN CCc1ccc(-c2noc([C@@H](C)NCC(C)(C)C)n2)cc1 ZINC000483666242 1126796744 /nfs/dbraw/zinc/79/67/44/1126796744.db2.gz XRZKGEPYUIVOCP-GFCCVEGCSA-N 0 1 287.407 3.996 20 0 CHADMN C[C@@H](c1nc(C2CC2)no1)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000177560217 1126802489 /nfs/dbraw/zinc/80/24/89/1126802489.db2.gz SINPKHQUOVSFFG-DVOMOZLQSA-N 0 1 297.402 3.886 20 0 CHADMN CCCN1CCC[C@@H]1c1nc(-c2ccc(F)c(F)c2)no1 ZINC000483829485 1126802526 /nfs/dbraw/zinc/80/25/26/1126802526.db2.gz ADZKSRVJKPRXHB-CYBMUJFWSA-N 0 1 293.317 3.562 20 0 CHADMN CCCN1CCC[C@H]1c1nc(-c2ccc(C)c(F)c2)no1 ZINC000483839705 1126803552 /nfs/dbraw/zinc/80/35/52/1126803552.db2.gz SKKOSOIKDQGYPQ-AWEZNQCLSA-N 0 1 289.354 3.731 20 0 CHADMN C[C@H](N[C@H]1CCc2cc(F)ccc21)c1cncc(F)c1 ZINC000178089270 1126808489 /nfs/dbraw/zinc/80/84/89/1126808489.db2.gz DUSKUCZNYUHEAV-QFYYESIMSA-N 0 1 274.314 3.698 20 0 CHADMN CC[C@@H](CSC)N(C)Cc1cc(OC)ccc1Cl ZINC000484067523 1126809561 /nfs/dbraw/zinc/80/95/61/1126809561.db2.gz KCMPLXQWHPCUAO-LBPRGKRZSA-N 0 1 287.856 3.922 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccco1)c1ccc2c(c1)OCCO2 ZINC000178368462 1126812306 /nfs/dbraw/zinc/81/23/06/1126812306.db2.gz PSZAWQPSCYXNEY-TZMCWYRMSA-N 0 1 287.359 3.853 20 0 CHADMN CC(C)(C)[C@H](NC1CSC1)c1ccc(F)cc1F ZINC000679627384 1130547243 /nfs/dbraw/zinc/54/72/43/1130547243.db2.gz MJFHWRXFKFEJHA-CYBMUJFWSA-N 0 1 271.376 3.757 20 0 CHADMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@H]3CC3(C)C)[nH]c2c1 ZINC000178862499 1126821310 /nfs/dbraw/zinc/82/13/10/1126821310.db2.gz KHLHDPFVWMBOTL-IUODEOHRSA-N 0 1 297.402 3.581 20 0 CHADMN COc1cccc(CN[C@@H]2CC(C)(C)c3ccccc32)n1 ZINC000178755397 1126819280 /nfs/dbraw/zinc/81/92/80/1126819280.db2.gz VPVXITYCFOPKIJ-MRXNPFEDSA-N 0 1 282.387 3.602 20 0 CHADMN CC(C)C[C@H](C)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000179247820 1126825288 /nfs/dbraw/zinc/82/52/88/1126825288.db2.gz TYFDUSKHNMGSRV-UONOGXRCSA-N 0 1 287.407 3.746 20 0 CHADMN C[C@H](c1noc([C@@H]2CC[C@@H]3CCCC[C@H]3N2)n1)C1CC1 ZINC000904098023 1126828438 /nfs/dbraw/zinc/82/84/38/1126828438.db2.gz MEMZORSEXOKGBZ-DEQVHRJGSA-N 0 1 275.396 3.566 20 0 CHADMN CCS[C@H](C)c1noc([C@@H]2CC[C@H]3CCCC[C@H]3N2)n1 ZINC000904098646 1126828746 /nfs/dbraw/zinc/82/87/46/1126828746.db2.gz YHXIQVAJPOBCRG-LPWJVIDDSA-N 0 1 295.452 3.867 20 0 CHADMN Cc1ncsc1CN(C)Cc1ccc(C)c(C)c1 ZINC000179428637 1126828813 /nfs/dbraw/zinc/82/88/13/1126828813.db2.gz PJDFRDFNIZTENO-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN CCN(Cc1cccs1)Cc1scnc1C ZINC000179721131 1126833345 /nfs/dbraw/zinc/83/33/45/1126833345.db2.gz XFBDDDLAXSWILJ-UHFFFAOYSA-N 0 1 252.408 3.535 20 0 CHADMN CCCCc1oc2ccccc2c1CN(C)Cc1nnc[nH]1 ZINC000179791644 1126834118 /nfs/dbraw/zinc/83/41/18/1126834118.db2.gz AWRLSOZFTNWDEP-UHFFFAOYSA-N 0 1 298.390 3.526 20 0 CHADMN CN(CCCF)Cc1ccc(Br)cc1Cl ZINC000484648633 1126838097 /nfs/dbraw/zinc/83/80/97/1126838097.db2.gz KYYXAGNNPKESHU-UHFFFAOYSA-N 0 1 294.595 3.894 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](CCc2ccccc2C(=O)[O-])CC1 ZINC000568639489 1126847039 /nfs/dbraw/zinc/84/70/39/1126847039.db2.gz PKNITSZHEWYOCO-OAHLLOKOSA-N 0 1 289.419 3.685 20 0 CHADMN Cc1cc(CN(Cc2cccnc2)C2CC2)c(C)s1 ZINC000180735054 1126848417 /nfs/dbraw/zinc/84/84/17/1126848417.db2.gz PFTXJFSUFIDLNK-UHFFFAOYSA-N 0 1 272.417 3.925 20 0 CHADMN Clc1ccc2c(c1)OCCC[C@@H]2NCc1ccncc1 ZINC000180969627 1126850594 /nfs/dbraw/zinc/85/05/94/1126850594.db2.gz RLNXXOSLKQJNCO-HNNXBMFYSA-N 0 1 288.778 3.739 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000904401605 1126851756 /nfs/dbraw/zinc/85/17/56/1126851756.db2.gz RXUQIOJHGAZIJI-DYVFJYSZSA-N 0 1 293.382 3.506 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000904401607 1126851944 /nfs/dbraw/zinc/85/19/44/1126851944.db2.gz RXUQIOJHGAZIJI-SUMWQHHRSA-N 0 1 293.382 3.506 20 0 CHADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000904401604 1126852032 /nfs/dbraw/zinc/85/20/32/1126852032.db2.gz RXUQIOJHGAZIJI-CXAGYDPISA-N 0 1 293.382 3.506 20 0 CHADMN C[C@H](c1nc2ccccc2o1)N(C)CCc1nccs1 ZINC000181190055 1126853090 /nfs/dbraw/zinc/85/30/90/1126853090.db2.gz ZFTOTRFLERWWIQ-LLVKDONJSA-N 0 1 287.388 3.520 20 0 CHADMN CC1=C(C)C[C@@](C)(c2nc([C@@H](N)C(C)C)no2)CC1 ZINC000904500466 1126854427 /nfs/dbraw/zinc/85/44/27/1126854427.db2.gz MKQCGYCZXIHNGR-WFASDCNBSA-N 0 1 263.385 3.503 20 0 CHADMN Cc1ccc(O)c(-c2ccc(CN(C)C)c(F)c2)c1 ZINC000629709313 1126855174 /nfs/dbraw/zinc/85/51/74/1126855174.db2.gz TWOHXPWNBUZXPO-UHFFFAOYSA-N 0 1 259.324 3.568 20 0 CHADMN O=C([O-])CCCC[N@H+](Cc1ccccc1)CC1CCC1 ZINC000181550111 1126857762 /nfs/dbraw/zinc/85/77/62/1126857762.db2.gz CCDFPJSJTAZUHR-UHFFFAOYSA-N 0 1 275.392 3.544 20 0 CHADMN COc1cc(C)cc(CN[C@@H](C)c2ccc(Cl)nc2)c1 ZINC000181615526 1126859149 /nfs/dbraw/zinc/85/91/49/1126859149.db2.gz WEEXKONQKCLPBA-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1nnc([C@H](C)Sc2nc3ccc(C)cc3[nH]2)s1 ZINC000181713058 1126859848 /nfs/dbraw/zinc/85/98/48/1126859848.db2.gz HXXAVFUBGHABTO-QMMMGPOBSA-N 0 1 290.417 3.885 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNC[C@@H]2CC2(Cl)Cl)o1 ZINC000759646927 1130667044 /nfs/dbraw/zinc/66/70/44/1130667044.db2.gz RBHRXNRYGZVEIS-YWVKMMECSA-N 0 1 274.191 3.686 20 0 CHADMN Cc1ccc2c(c1)[C@@H](NCc1ccc(Cl)cn1)CC2 ZINC000182123691 1126866075 /nfs/dbraw/zinc/86/60/75/1126866075.db2.gz BBHYIYOQRZOCNH-INIZCTEOSA-N 0 1 272.779 3.821 20 0 CHADMN C[C@H](NCc1ccccc1N(C)C)c1cccc(F)c1F ZINC000181993558 1126863342 /nfs/dbraw/zinc/86/33/42/1126863342.db2.gz PEPJPKVPUCRYJY-LBPRGKRZSA-N 0 1 290.357 3.882 20 0 CHADMN CN1CCC[C@@H](Oc2cc(Cl)cc(Cl)c2F)C1 ZINC001234928154 1130692788 /nfs/dbraw/zinc/69/27/88/1130692788.db2.gz ZQQZGEYSOVTPRB-SECBINFHSA-N 0 1 278.154 3.606 20 0 CHADMN Cc1[nH]nc2ccc(-c3c[nH]c(=O)c4c3CCCC4)cc12 ZINC000904833357 1126877797 /nfs/dbraw/zinc/87/77/97/1126877797.db2.gz MQUOOSKTHBERAP-UHFFFAOYSA-N 0 1 279.343 3.518 20 0 CHADMN CC[C@H](NCc1c(C)cc(C)cc1C)c1nccn1C ZINC000182681622 1126876146 /nfs/dbraw/zinc/87/61/46/1126876146.db2.gz MWYZKJWIWZGCDY-INIZCTEOSA-N 0 1 271.408 3.586 20 0 CHADMN Cn1ccnc1[C@H](N[C@H]1CCCc2ccccc21)C1CC1 ZINC000183232410 1126884222 /nfs/dbraw/zinc/88/42/22/1126884222.db2.gz RSHRVIMCFPYPOG-DLBZAZTESA-N 0 1 281.403 3.538 20 0 CHADMN CCCC[N@@H+](CC)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000485205660 1126896439 /nfs/dbraw/zinc/89/64/39/1126896439.db2.gz REJUVXGTKMJLMJ-CQSZACIVSA-N 0 1 299.418 3.684 20 0 CHADMN CCOc1cc(CN(C)CC2CCCCC2)c(F)cn1 ZINC001238731449 1131238286 /nfs/dbraw/zinc/23/82/86/1131238286.db2.gz HRHGVMGODQPHQA-UHFFFAOYSA-N 0 1 280.387 3.632 20 0 CHADMN Cc1cc(F)c(CN(CC2CC2)C(C)C)c(F)c1 ZINC001235200873 1130722961 /nfs/dbraw/zinc/72/29/61/1130722961.db2.gz HTSYQLNJZTVFRY-UHFFFAOYSA-N 0 1 253.336 3.894 20 0 CHADMN Cc1ccc(NC(=O)[C@@H](C)N2CCCC3(CC3)C2)c(C)c1 ZINC000187007884 1126907888 /nfs/dbraw/zinc/90/78/88/1126907888.db2.gz QBQNIBFPXCZHKB-OAHLLOKOSA-N 0 1 286.419 3.506 20 0 CHADMN Cc1cc(F)c(CN2C[C@H](C)C[C@H](C)C2)c(F)c1 ZINC001235199698 1130723339 /nfs/dbraw/zinc/72/33/39/1130723339.db2.gz VCQGHVSMTQIDKH-TXEJJXNPSA-N 0 1 253.336 3.751 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(C)cc2)C2CCC2)on1 ZINC000187166507 1126908816 /nfs/dbraw/zinc/90/88/16/1126908816.db2.gz KSZSCHFVBHKDDW-QGZVFWFLSA-N 0 1 270.376 3.922 20 0 CHADMN CC[C@@]1(CO)CCCN([C@@H](C)c2c(F)cccc2F)C1 ZINC000187575472 1126912240 /nfs/dbraw/zinc/91/22/40/1126912240.db2.gz MHAHJMOAABKLQW-BLLLJJGKSA-N 0 1 283.362 3.510 20 0 CHADMN CC(C)Oc1c(CN2CC[C@@H](C)C2)ccc(F)c1F ZINC001238738222 1131238609 /nfs/dbraw/zinc/23/86/09/1131238609.db2.gz ADNAETUWRICSLS-LLVKDONJSA-N 0 1 269.335 3.594 20 0 CHADMN CCN(Cc1nccs1)[C@H](C)Cc1ccsc1 ZINC000187785536 1126914874 /nfs/dbraw/zinc/91/48/74/1126914874.db2.gz HNTAEEPTGYXRHM-LLVKDONJSA-N 0 1 266.435 3.658 20 0 CHADMN CCSc1cc(CN[C@@H](C)c2cncc(F)c2)ccn1 ZINC000187791585 1126915151 /nfs/dbraw/zinc/91/51/51/1126915151.db2.gz KLZMRMFHPWLLAY-NSHDSACASA-N 0 1 291.395 3.579 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@H]1CCc2cc(Cl)ccc21 ZINC000187885516 1126916811 /nfs/dbraw/zinc/91/68/11/1126916811.db2.gz RDIPCYGNCLTADR-NHYWBVRUSA-N 0 1 287.794 3.777 20 0 CHADMN CC(C)c1ccc(CN2C[C@H]3CC[C@@H]2C3)c(Cl)n1 ZINC001238731541 1131238809 /nfs/dbraw/zinc/23/88/09/1131238809.db2.gz PIPYMOVOLVJMOJ-WCQYABFASA-N 0 1 264.800 3.843 20 0 CHADMN CC(C)n1cc(CN2CCC(c3ccsc3)CC2)cn1 ZINC000188693351 1126925163 /nfs/dbraw/zinc/92/51/63/1126925163.db2.gz HFSNPCLBUYIKNC-UHFFFAOYSA-N 0 1 289.448 3.905 20 0 CHADMN Cc1cccc([C@H](O)CN2CC(C)(C)[C@H]2c2ccncc2)c1 ZINC000905954374 1126923389 /nfs/dbraw/zinc/92/33/89/1126923389.db2.gz APSVGJXCDXGJIT-QZTJIDSGSA-N 0 1 296.414 3.507 20 0 CHADMN COCC1(C2CCC2)CN(Cc2ccc(Cl)c(C)c2)C1 ZINC000668514279 1126924251 /nfs/dbraw/zinc/92/42/51/1126924251.db2.gz ATYMGTMTMIEFDL-UHFFFAOYSA-N 0 1 293.838 3.897 20 0 CHADMN COC1CCC(Nc2nccc(C)c2C2CC2)CC1 ZINC000668512431 1126924810 /nfs/dbraw/zinc/92/48/10/1126924810.db2.gz RHBGGNAKEFXGTD-UHFFFAOYSA-N 0 1 260.381 3.637 20 0 CHADMN Cc1cncc([C@@H](C)N[C@H]2CCOc3c(F)cccc32)c1 ZINC000188051654 1126919642 /nfs/dbraw/zinc/91/96/42/1126919642.db2.gz HFMIUTZQDLBBRU-WBMJQRKESA-N 0 1 286.350 3.704 20 0 CHADMN COCC1(C2CCC2)CN(Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000668513637 1126926590 /nfs/dbraw/zinc/92/65/90/1126926590.db2.gz MAIMEAVXYFUNNI-XJKSGUPXSA-N 0 1 289.419 3.652 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC([C@@H]2CCCO2)CC1 ZINC000189123235 1126928197 /nfs/dbraw/zinc/92/81/97/1126928197.db2.gz ZJRHVZJXVWHZBJ-SJCJKPOMSA-N 0 1 295.373 3.917 20 0 CHADMN Clc1ccc(CN2CCC([C@H]3CCCO3)CC2)s1 ZINC000189130449 1126928841 /nfs/dbraw/zinc/92/88/41/1126928841.db2.gz XPMBPUNSZDKYEX-CYBMUJFWSA-N 0 1 285.840 3.793 20 0 CHADMN C[C@H](O)c1ccc(CNCc2ccc(Cl)cc2F)cc1 ZINC000189278499 1126929713 /nfs/dbraw/zinc/92/97/13/1126929713.db2.gz YFRDWMMGAJSWPO-NSHDSACASA-N 0 1 293.769 3.822 20 0 CHADMN CN(C)Cc1ccc(-c2cccc3c2CCOC3)cc1F ZINC000906159214 1126931515 /nfs/dbraw/zinc/93/15/15/1126931515.db2.gz NCZBHSAHIRLVEQ-UHFFFAOYSA-N 0 1 285.362 3.627 20 0 CHADMN CCCn1nc(C)c(-c2ccc(CN(C)C)c(F)c2)c1C ZINC000906160484 1126931569 /nfs/dbraw/zinc/93/15/69/1126931569.db2.gz ZGOXRHCCGRIEHI-UHFFFAOYSA-N 0 1 289.398 3.778 20 0 CHADMN COc1cc(C)c(-c2cnc([C@H]3CCCCN3)nc2)cc1C ZINC000906161646 1126937237 /nfs/dbraw/zinc/93/72/37/1126937237.db2.gz MNZYJIQPIYMOKT-MRXNPFEDSA-N 0 1 297.402 3.584 20 0 CHADMN C[C@@H](c1nc2ccccc2s1)N(C)CC[C@@H]1CCCO1 ZINC000189583989 1126932901 /nfs/dbraw/zinc/93/29/01/1126932901.db2.gz UHWRMVHSVQQKQB-STQMWFEESA-N 0 1 290.432 3.858 20 0 CHADMN Clc1ccc(-c2cnc([C@H]3CCCCN3)nc2)s1 ZINC000906177806 1126934168 /nfs/dbraw/zinc/93/41/68/1126934168.db2.gz ARTBDSVNYFKQSA-SNVBAGLBSA-N 0 1 279.796 3.673 20 0 CHADMN CC[C@H](C)n1cc(-c2ccc3n[nH]c(C)c3c2)cn1 ZINC000906204052 1126937877 /nfs/dbraw/zinc/93/78/77/1126937877.db2.gz DWUQONDBMXBHQA-JTQLQIEISA-N 0 1 254.337 3.706 20 0 CHADMN C[C@H](NC[C@H]1CC[C@@H](C)O1)c1ncc(-c2ccccc2)o1 ZINC000191100881 1126948155 /nfs/dbraw/zinc/94/81/55/1126948155.db2.gz ZWAREVDEJPTZHN-VNHYZAJKSA-N 0 1 286.375 3.560 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CNCc1ccco1 ZINC000190806100 1126944897 /nfs/dbraw/zinc/94/48/97/1126944897.db2.gz IQDJBBMCQMSWIH-UHFFFAOYSA-N 0 1 269.266 3.897 20 0 CHADMN Cc1ccc(C)c([C@H]2CCCN2Cc2cocn2)c1 ZINC000191946611 1126957137 /nfs/dbraw/zinc/95/71/37/1126957137.db2.gz BWIDZFCUWBRFRG-MRXNPFEDSA-N 0 1 256.349 3.629 20 0 CHADMN C/C=C/C[C@H]1CCCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000629884539 1126960961 /nfs/dbraw/zinc/96/09/61/1126960961.db2.gz ZECBUACDSFQNFC-XGACYXMMSA-N 0 1 297.402 3.690 20 0 CHADMN CCc1noc(CC)c1CN[C@@H]1CCCNc2ccccc21 ZINC000192945366 1126965012 /nfs/dbraw/zinc/96/50/12/1126965012.db2.gz WIDKKWXUPMVYMW-QGZVFWFLSA-N 0 1 299.418 3.836 20 0 CHADMN COC[C@@H](NCc1cccc(O)c1)c1ccc(Cl)cc1 ZINC000193275769 1126967887 /nfs/dbraw/zinc/96/78/87/1126967887.db2.gz MVXAUAXDNAFILJ-MRXNPFEDSA-N 0 1 291.778 3.523 20 0 CHADMN C=Cn1cc(CNCc2ccc(C(F)(F)F)cc2C)cn1 ZINC000194432838 1126975136 /nfs/dbraw/zinc/97/51/36/1126975136.db2.gz PDXMTIQLQBNPGK-UHFFFAOYSA-N 0 1 295.308 3.601 20 0 CHADMN Cc1cc(CN2C[C@@H](C)C[C@H]2c2cccc(F)c2)on1 ZINC000266596188 1126984925 /nfs/dbraw/zinc/98/49/25/1126984925.db2.gz ONCCQIRFCKKTFM-ZBEGNZNMSA-N 0 1 274.339 3.705 20 0 CHADMN Clc1ccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)o1 ZINC000668628623 1126987212 /nfs/dbraw/zinc/98/72/12/1126987212.db2.gz YURREYLLRNUPJS-GXTWGEPZSA-N 0 1 283.799 3.714 20 0 CHADMN C[C@H](CN(C)Cc1nnc(-c2ccco2)o1)c1ccccc1 ZINC000066854543 1126990667 /nfs/dbraw/zinc/99/06/67/1126990667.db2.gz RISRHKHSRNQNET-CYBMUJFWSA-N 0 1 297.358 3.565 20 0 CHADMN CC(C)(C)c1ccc(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])s1 ZINC000166287212 1126993010 /nfs/dbraw/zinc/99/30/10/1126993010.db2.gz UJGWSAVNYGQSMA-CYBMUJFWSA-N 0 1 295.448 3.875 20 0 CHADMN Cc1cc(Br)cc(CNCc2ccco2)c1 ZINC000163562370 1126994075 /nfs/dbraw/zinc/99/40/75/1126994075.db2.gz FWRWLTNWQHFJLU-UHFFFAOYSA-N 0 1 280.165 3.640 20 0 CHADMN CC1(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)CCC1 ZINC000267371662 1126998980 /nfs/dbraw/zinc/99/89/80/1126998980.db2.gz QCPYMVGQBPKVRE-CQSZACIVSA-N 0 1 299.374 3.543 20 0 CHADMN Fc1ccc(CN2CC[C@@H]3C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000668677729 1126999732 /nfs/dbraw/zinc/99/97/32/1126999732.db2.gz WCTNHEVNHGZCQK-MWLCHTKSSA-N 0 1 273.273 3.686 20 0 CHADMN Cc1ccoc1CNC(C)(C)c1ccc(F)c(F)c1 ZINC000267507560 1127001087 /nfs/dbraw/zinc/00/10/87/1127001087.db2.gz JFIPTEKPAILHIT-UHFFFAOYSA-N 0 1 265.303 3.891 20 0 CHADMN FC(F)(F)c1cscc1CN1CC[C@H]2C[C@H]2C1 ZINC000668679001 1127001389 /nfs/dbraw/zinc/00/13/89/1127001389.db2.gz XFGZQTGVJVIFOB-IUCAKERBSA-N 0 1 261.312 3.609 20 0 CHADMN CCCCC[C@@H]1CCC[N@H+]1Cc1nc(-c2ccco2)no1 ZINC000486780647 1127001615 /nfs/dbraw/zinc/00/16/15/1127001615.db2.gz PUACTSJNWBUZPK-CYBMUJFWSA-N 0 1 289.379 3.874 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1nc(-c2ccco2)no1 ZINC000486780647 1127001619 /nfs/dbraw/zinc/00/16/19/1127001619.db2.gz PUACTSJNWBUZPK-CYBMUJFWSA-N 0 1 289.379 3.874 20 0 CHADMN CC[C@@H](Cc1ccccc1)[N@@H+](CC)Cc1cc(C)n(C)n1 ZINC000486794029 1127002456 /nfs/dbraw/zinc/00/24/56/1127002456.db2.gz LCHPPEQYCKYTEI-SFHVURJKSA-N 0 1 285.435 3.572 20 0 CHADMN CCCCC[C@H]1CCCN1CC(=O)Nc1ccccc1F ZINC000486807711 1127003859 /nfs/dbraw/zinc/00/38/59/1127003859.db2.gz HWVCQFOZVSAEAC-AWEZNQCLSA-N 0 1 292.398 3.809 20 0 CHADMN Fc1ccc([C@H]2CC[N@@H+](CCC(F)(F)F)C2)cc1 ZINC000267989977 1127009810 /nfs/dbraw/zinc/00/98/10/1127009810.db2.gz AHVHUXCQPUAGQR-NSHDSACASA-N 0 1 261.262 3.567 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc[nH]c1C1CCC1 ZINC000486945725 1127011074 /nfs/dbraw/zinc/01/10/74/1127011074.db2.gz QWEDLKZQOHJZJE-UHFFFAOYSA-N 0 1 294.305 3.504 20 0 CHADMN COc1ccccc1/C=C/CN1CCC(c2ccon2)CC1 ZINC000668714120 1127011131 /nfs/dbraw/zinc/01/11/31/1127011131.db2.gz KZCJRVPNZYXWMQ-GQCTYLIASA-N 0 1 298.386 3.576 20 0 CHADMN CCOc1c(Cl)cccc1CNCc1ccc(C)nc1 ZINC000486938974 1127012338 /nfs/dbraw/zinc/01/23/38/1127012338.db2.gz QNSZLCSYINWZRQ-UHFFFAOYSA-N 0 1 290.794 3.732 20 0 CHADMN CCc1noc(C)c1CN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000268199288 1127013225 /nfs/dbraw/zinc/01/32/25/1127013225.db2.gz XGJCADKHBKSRDH-PXAZEXFGSA-N 0 1 270.376 3.738 20 0 CHADMN CN(C)Cc1ccsc1C(=O)NCC1(C)CCCCC1 ZINC000268239736 1127014133 /nfs/dbraw/zinc/01/41/33/1127014133.db2.gz USAAHMZXHPTKTJ-UHFFFAOYSA-N 0 1 294.464 3.510 20 0 CHADMN COCc1cc(CN2CCC[C@@H](C3CCCCC3)C2)no1 ZINC000668754934 1127024155 /nfs/dbraw/zinc/02/41/55/1127024155.db2.gz QUWLUMLLBHVGEX-OAHLLOKOSA-N 0 1 292.423 3.613 20 0 CHADMN CN(CCc1cccs1)Cc1ccn(C2CCCC2)n1 ZINC000268646957 1127019911 /nfs/dbraw/zinc/01/99/11/1127019911.db2.gz FUQAMNQDMCOVPT-UHFFFAOYSA-N 0 1 289.448 3.734 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)o1 ZINC000268720461 1127021565 /nfs/dbraw/zinc/02/15/65/1127021565.db2.gz KPXSEKQIGGVWJO-OLZOCXBDSA-N 0 1 298.386 3.519 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2cccnc2Cl)c1 ZINC000268738227 1127022094 /nfs/dbraw/zinc/02/20/94/1127022094.db2.gz FJEYTUBHVMAQIM-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1ncc([C@H](C)N[C@@H]2CCc3cc(F)ccc32)c(C)n1 ZINC000268811171 1127025129 /nfs/dbraw/zinc/02/51/29/1127025129.db2.gz AZNUISDVMOZWRH-APPDUMDISA-N 0 1 285.366 3.571 20 0 CHADMN Cc1cc(C)cc([C@@H](C)NCc2cn3ccsc3n2)c1 ZINC000268817341 1127025734 /nfs/dbraw/zinc/02/57/34/1127025734.db2.gz QHIKIQLHFUKTTE-CYBMUJFWSA-N 0 1 285.416 3.863 20 0 CHADMN Cc1c(CN(C)Cc2ccc3ccccc3c2)cnn1C ZINC000268906176 1127027873 /nfs/dbraw/zinc/02/78/73/1127027873.db2.gz MGNVNHBWTOVVLN-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN C[C@H](N[C@@H]1CCc2cc(F)ccc21)c1cncs1 ZINC000269041256 1127033374 /nfs/dbraw/zinc/03/33/74/1127033374.db2.gz UHDVAASDTPZFLO-TVQRCGJNSA-N 0 1 262.353 3.620 20 0 CHADMN C[C@H](N[C@H]1CCc2cc(F)ccc21)c1cncs1 ZINC000269041257 1127034052 /nfs/dbraw/zinc/03/40/52/1127034052.db2.gz UHDVAASDTPZFLO-ZANVPECISA-N 0 1 262.353 3.620 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@@H]2CCc3c2cccc3F)cn1 ZINC000269066908 1127034726 /nfs/dbraw/zinc/03/47/26/1127034726.db2.gz ZEFSJKOEBGFGFR-SJKOYZFVSA-N 0 1 287.382 3.941 20 0 CHADMN C[C@H](NCc1cc(COC(C)(C)C)on1)[C@@H]1CC1(C)C ZINC000487547875 1127035174 /nfs/dbraw/zinc/03/51/74/1127035174.db2.gz ANEJYKFPVQBQMQ-FZMZJTMJSA-N 0 1 280.412 3.514 20 0 CHADMN C[C@H]1C[C@@H]1c1ccc(CN(C)CC2=CCSC2)o1 ZINC000668775964 1127031706 /nfs/dbraw/zinc/03/17/06/1127031706.db2.gz VAEJESZEVCAYGG-FZMZJTMJSA-N 0 1 263.406 3.508 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H](C)Oc2cccc(C)c2)cs1 ZINC000269431482 1127040042 /nfs/dbraw/zinc/04/00/42/1127040042.db2.gz PQOCGAADQIQGTP-CHWSQXEVSA-N 0 1 290.432 3.878 20 0 CHADMN CCC[C@H](C)N(C)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000487576497 1127036834 /nfs/dbraw/zinc/03/68/34/1127036834.db2.gz WYABNGUVLQKCLE-LBPRGKRZSA-N 0 1 293.361 3.771 20 0 CHADMN CC(C)Oc1ccccc1CN[C@H](c1ccccc1)[C@H](C)O ZINC000668786395 1127038870 /nfs/dbraw/zinc/03/88/70/1127038870.db2.gz AJUKGGCLIIWCRR-KXBFYZLASA-N 0 1 299.414 3.686 20 0 CHADMN Cc1nc(C)c([C@H](C)N(C)Cc2cnccc2C)s1 ZINC000269458660 1127040020 /nfs/dbraw/zinc/04/00/20/1127040020.db2.gz GEBCTONQXYKLNN-LBPRGKRZSA-N 0 1 275.421 3.656 20 0 CHADMN COc1ccccc1[C@H](NC[C@@H](C)C1CC1)c1ccccn1 ZINC000924828214 1127043514 /nfs/dbraw/zinc/04/35/14/1127043514.db2.gz NDGTWAHUVCIUCZ-KUHUBIRLSA-N 0 1 296.414 3.815 20 0 CHADMN Cc1ccc(NC(=O)CN(C)[C@H](C)c2cccc(C)c2)cc1 ZINC000487879585 1127044818 /nfs/dbraw/zinc/04/48/18/1127044818.db2.gz QRXFHHLJHDGZQC-MRXNPFEDSA-N 0 1 296.414 3.935 20 0 CHADMN COCc1cccc(CSc2nc(C(C)(C)C)n[nH]2)c1 ZINC000269479291 1127040788 /nfs/dbraw/zinc/04/07/88/1127040788.db2.gz OATWDLBBGSZXQT-UHFFFAOYSA-N 0 1 291.420 3.541 20 0 CHADMN COCc1cccc(CSc2n[nH]c(C(C)(C)C)n2)c1 ZINC000269479291 1127040791 /nfs/dbraw/zinc/04/07/91/1127040791.db2.gz OATWDLBBGSZXQT-UHFFFAOYSA-N 0 1 291.420 3.541 20 0 CHADMN CCc1cc(C(=O)N(C)[C@H](c2ccccc2C)C(C)C)n[nH]1 ZINC000487731523 1127041066 /nfs/dbraw/zinc/04/10/66/1127041066.db2.gz ZBPZDYLYMZWWPW-KRWDZBQOSA-N 0 1 299.418 3.750 20 0 CHADMN Cn1ccnc1CN[C@@H](CC1CCCC1)c1ccccc1 ZINC000269809860 1127046167 /nfs/dbraw/zinc/04/61/67/1127046167.db2.gz LXPADRRUCGXGSO-KRWDZBQOSA-N 0 1 283.419 3.831 20 0 CHADMN CC(=O)c1cc(CN(C)[C@@H]2CCC[C@H]2C(C)(C)C)on1 ZINC000653766497 1127046838 /nfs/dbraw/zinc/04/68/38/1127046838.db2.gz FEBSHCLJDUWZDK-UKRRQHHQSA-N 0 1 278.396 3.524 20 0 CHADMN C[C@@H]1c2cccn2CCN1CCCCC(F)(F)F ZINC000269928667 1127048264 /nfs/dbraw/zinc/04/82/64/1127048264.db2.gz ZTOGATLKMSSFDG-LLVKDONJSA-N 0 1 260.303 3.597 20 0 CHADMN COc1ncccc1CN1CCC[C@H]1c1ccc(C)s1 ZINC000487913764 1127048388 /nfs/dbraw/zinc/04/83/88/1127048388.db2.gz NOUISYNLRNOIFJ-AWEZNQCLSA-N 0 1 288.416 3.797 20 0 CHADMN COCCN(Cc1c(F)cccc1F)[C@@H]1CCC[C@@H]1C ZINC000487997163 1127052541 /nfs/dbraw/zinc/05/25/41/1127052541.db2.gz DVZURWRELLKOHN-BLLLJJGKSA-N 0 1 283.362 3.602 20 0 CHADMN CCOc1cccc(Cl)c1CN1CC[C@@H](OC)[C@H](C)C1 ZINC000569985819 1127057167 /nfs/dbraw/zinc/05/71/67/1127057167.db2.gz JUYFDKOQZFWETI-IUODEOHRSA-N 0 1 297.826 3.596 20 0 CHADMN Cc1nc(CS[C@H](C)c2ccc(Cl)cc2)n[nH]1 ZINC000488219168 1127062836 /nfs/dbraw/zinc/06/28/36/1127062836.db2.gz LXFQSLLXEUIMMP-MRVPVSSYSA-N 0 1 267.785 3.761 20 0 CHADMN Cc1ccc(SCc2n[nH]c(C(C)C)n2)cc1C ZINC000488224935 1127064706 /nfs/dbraw/zinc/06/47/06/1127064706.db2.gz BFJBVIFGZOPGFQ-UHFFFAOYSA-N 0 1 261.394 3.837 20 0 CHADMN COC1CCN(Cc2cc(C)c(C)cc2OC(F)F)CC1 ZINC000271024724 1127064714 /nfs/dbraw/zinc/06/47/14/1127064714.db2.gz DCBOGXZFWSBMHV-UHFFFAOYSA-N 0 1 299.361 3.516 20 0 CHADMN CCC1CCC(N(CCO)Cc2nc(C)sc2C)CC1 ZINC000488244360 1127065372 /nfs/dbraw/zinc/06/53/72/1127065372.db2.gz PLCFFDSRYJWDAI-UHFFFAOYSA-N 0 1 296.480 3.523 20 0 CHADMN CC(C)c1nc(CSC[C@H](C)c2ccccc2)n[nH]1 ZINC000488263196 1127066272 /nfs/dbraw/zinc/06/62/72/1127066272.db2.gz LKMMMVWUNCAYPK-LBPRGKRZSA-N 0 1 275.421 3.965 20 0 CHADMN Cc1ncc(C[N@H+](C)Cc2ccc3ncccc3c2)s1 ZINC000271119060 1127070043 /nfs/dbraw/zinc/07/00/43/1127070043.db2.gz IXTQFUXPZWZSDI-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN Cc1ncc(CN(C)Cc2ccc3ncccc3c2)s1 ZINC000271119060 1127070045 /nfs/dbraw/zinc/07/00/45/1127070045.db2.gz IXTQFUXPZWZSDI-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN Cc1ccccc1C1(CN[C@H](C)c2cscn2)CC1 ZINC000271178369 1127071816 /nfs/dbraw/zinc/07/18/16/1127071816.db2.gz VKBUPRJWALBTSP-CYBMUJFWSA-N 0 1 272.417 3.834 20 0 CHADMN C[C@@H](NCC1(c2ccccc2)CC1)c1cscn1 ZINC000271176605 1127071949 /nfs/dbraw/zinc/07/19/49/1127071949.db2.gz VCEUCMQNDHEVIW-GFCCVEGCSA-N 0 1 258.390 3.526 20 0 CHADMN CO[C@H]1CCN(Cc2ccc(F)c(C)c2Cl)[C@@H](C)C1 ZINC001236716223 1130998927 /nfs/dbraw/zinc/99/89/27/1130998927.db2.gz UPZZXAJSLWIODN-GWCFXTLKSA-N 0 1 285.790 3.787 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H](C)c2ccc(F)cc2F)n[nH]1 ZINC000271433177 1127080583 /nfs/dbraw/zinc/08/05/83/1127080583.db2.gz DKWAUNXVDWLKRJ-UWVGGRQHSA-N 0 1 294.349 3.618 20 0 CHADMN C[C@H](N[C@H]1CC(C)(C)Oc2cc(F)ccc21)c1cn[nH]c1 ZINC000271431621 1127080869 /nfs/dbraw/zinc/08/08/69/1127080869.db2.gz DFMUSBHSOQGBAY-HZMBPMFUSA-N 0 1 289.354 3.502 20 0 CHADMN CC[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(C)cc1 ZINC000271446150 1127081884 /nfs/dbraw/zinc/08/18/84/1127081884.db2.gz DAABQWPRDPQSJG-HOTGVXAUSA-N 0 1 269.392 3.836 20 0 CHADMN CC[C@H]1CN(C/C=C/c2ccc(F)c(F)c2)CCS1 ZINC000570248334 1127082079 /nfs/dbraw/zinc/08/20/79/1127082079.db2.gz OYNCFZPKXYXGBY-OOPCZODUSA-N 0 1 283.387 3.805 20 0 CHADMN CC(C)c1nc([C@H](C)N[C@@H](C)c2ccccc2Cl)n[nH]1 ZINC000271453164 1127082990 /nfs/dbraw/zinc/08/29/90/1127082990.db2.gz GKTSGNVWPASQKG-QWRGUYRKSA-N 0 1 292.814 3.993 20 0 CHADMN C[C@@H](N[C@H](C)c1cccc(OC(F)(F)F)c1)c1cn[nH]c1 ZINC000271451563 1127083111 /nfs/dbraw/zinc/08/31/11/1127083111.db2.gz GERZJMUVTHYFDM-NXEZZACHSA-N 0 1 299.296 3.720 20 0 CHADMN CCc1cccc2c1OCC[C@@H]2N[C@@H](C)c1cccnc1 ZINC000271458689 1127083405 /nfs/dbraw/zinc/08/34/05/1127083405.db2.gz JSINCDSXYSHVTR-GUYCJALGSA-N 0 1 282.387 3.818 20 0 CHADMN Cc1cc(C[N@H+](Cc2ccc(F)cc2)C(C)C)nc(C)n1 ZINC000659859141 1127083390 /nfs/dbraw/zinc/08/33/90/1127083390.db2.gz YULVCAXDOQCATH-UHFFFAOYSA-N 0 1 287.382 3.643 20 0 CHADMN Cc1cc(CN(Cc2ccc(F)cc2)C(C)C)nc(C)n1 ZINC000659859141 1127083393 /nfs/dbraw/zinc/08/33/93/1127083393.db2.gz YULVCAXDOQCATH-UHFFFAOYSA-N 0 1 287.382 3.643 20 0 CHADMN C[C@H](NCc1ccccc1N(C)C)c1cc(F)cc(F)c1 ZINC000271472984 1127084591 /nfs/dbraw/zinc/08/45/91/1127084591.db2.gz JCWMCXCSQMGDBI-LBPRGKRZSA-N 0 1 290.357 3.882 20 0 CHADMN CSc1ccc([C@H](C)N[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000271500595 1127087076 /nfs/dbraw/zinc/08/70/76/1127087076.db2.gz LTWYVOFQXLLWOO-XHDPSFHLSA-N 0 1 287.432 3.860 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000271451736 1127082771 /nfs/dbraw/zinc/08/27/71/1127082771.db2.gz GJFAXLXWDOKMRK-OLZOCXBDSA-N 0 1 286.423 3.902 20 0 CHADMN Cc1cc([C@@H](N[C@H](C)c2cnccn2)C2CC2)ccc1F ZINC000271502303 1127087957 /nfs/dbraw/zinc/08/79/57/1127087957.db2.gz MFSQZUBTUZWJFZ-PXAZEXFGSA-N 0 1 285.366 3.726 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@H](CO)c2ccc(F)cc2)c1 ZINC000271520878 1127088799 /nfs/dbraw/zinc/08/87/99/1127088799.db2.gz UVHHZMKECFXNMX-KBXCAEBGSA-N 0 1 287.378 3.827 20 0 CHADMN CC[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000271530471 1127089919 /nfs/dbraw/zinc/08/99/19/1127089919.db2.gz QUVLKQSSMGEWBB-GJZGRUSLSA-N 0 1 255.365 3.528 20 0 CHADMN C[C@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(Cl)cc1 ZINC000271539226 1127090086 /nfs/dbraw/zinc/09/00/86/1127090086.db2.gz SMIOCSKVMYDXRP-IINYFYTJSA-N 0 1 275.783 3.791 20 0 CHADMN Cc1cc(C)cc([C@H](C)N[C@@H]2CCCc3c[nH]nc32)c1 ZINC000271537249 1127090178 /nfs/dbraw/zinc/09/01/78/1127090178.db2.gz SBLROTFSVFOWOE-XJKSGUPXSA-N 0 1 269.392 3.755 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(F)c(C)c2)C2CC2)on1 ZINC000271605128 1127093928 /nfs/dbraw/zinc/09/39/28/1127093928.db2.gz ABSHYYQDADSJDI-INIZCTEOSA-N 0 1 274.339 3.671 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(F)c(C)c2)C2CC2)on1 ZINC000271605131 1127094424 /nfs/dbraw/zinc/09/44/24/1127094424.db2.gz ABSHYYQDADSJDI-MRXNPFEDSA-N 0 1 274.339 3.671 20 0 CHADMN CC(C)[C@@H](NCc1ccc(F)cn1)c1ccccc1 ZINC000271608515 1127095381 /nfs/dbraw/zinc/09/53/81/1127095381.db2.gz AJMSBKPZRJUSLD-MRXNPFEDSA-N 0 1 258.340 3.708 20 0 CHADMN CCn1ccnc1CN[C@H](c1ccccc1)C1CCCC1 ZINC000067696429 1127100192 /nfs/dbraw/zinc/10/01/92/1127100192.db2.gz IIOBLFAFXXCJDP-GOSISDBHSA-N 0 1 283.419 3.924 20 0 CHADMN C[C@H](c1noc(-c2cc(Cl)ccc2O)n1)C1CC1 ZINC000274011052 1127105274 /nfs/dbraw/zinc/10/52/74/1127105274.db2.gz OKEJCTAGNFFSSY-ZETCQYMHSA-N 0 1 264.712 3.609 20 0 CHADMN CC(C)=CCC[C@@H](C)N[C@H](C)c1nnc(C)s1 ZINC000274137545 1127108898 /nfs/dbraw/zinc/10/88/98/1127108898.db2.gz CUVTZBWOJRXFOJ-GHMZBOCLSA-N 0 1 253.415 3.632 20 0 CHADMN Cc1cc(Cl)ccc1CN[C@H]1CCCc2c[nH]nc21 ZINC000274297989 1127111451 /nfs/dbraw/zinc/11/14/51/1127111451.db2.gz MUDULZPMNKOHIJ-AWEZNQCLSA-N 0 1 275.783 3.539 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@H](C)c1cnccc1C)CCO2 ZINC000274346175 1127113324 /nfs/dbraw/zinc/11/33/24/1127113324.db2.gz FHDJSOQNFMINJA-DYVFJYSZSA-N 0 1 298.386 3.573 20 0 CHADMN Cc1ncsc1CN(Cc1ccc(C)nc1)CC1CC1 ZINC000646020203 1127114793 /nfs/dbraw/zinc/11/47/93/1127114793.db2.gz OMNIYZTYGIQWIT-UHFFFAOYSA-N 0 1 287.432 3.567 20 0 CHADMN CN(Cc1cn2c(n1)CCCC2)[C@@H]1C=CCCCCC1 ZINC000339124690 1127114832 /nfs/dbraw/zinc/11/48/32/1127114832.db2.gz KENHTJXQPDEWHN-MRXNPFEDSA-N 0 1 273.424 3.540 20 0 CHADMN CCn1ccnc1[C@@H]1CCCCN1[C@H]1C=CCCC1 ZINC000339150022 1127115715 /nfs/dbraw/zinc/11/57/15/1127115715.db2.gz MGSLPTDJTRQNLP-GJZGRUSLSA-N 0 1 259.397 3.539 20 0 CHADMN CCn1ccnc1[C@H]1CCCCN1[C@@H]1C=CCCC1 ZINC000339150023 1127116147 /nfs/dbraw/zinc/11/61/47/1127116147.db2.gz MGSLPTDJTRQNLP-HUUCEWRRSA-N 0 1 259.397 3.539 20 0 CHADMN CC(C)c1nc([C@@H](C)NCCc2ccncc2)cs1 ZINC000274430406 1127119112 /nfs/dbraw/zinc/11/91/12/1127119112.db2.gz JRGIPOGVYREVKH-GFCCVEGCSA-N 0 1 275.421 3.555 20 0 CHADMN CCCCOCCN[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000924853791 1127120747 /nfs/dbraw/zinc/12/07/47/1127120747.db2.gz PYZCCCTXQDWMPJ-IBGZPJMESA-N 0 1 298.430 3.886 20 0 CHADMN COc1ccc(C[N@H+]2CCCC[C@H]2c2ccc(C)cc2)nn1 ZINC000283056390 1127121269 /nfs/dbraw/zinc/12/12/69/1127121269.db2.gz JGHGZDQJBXTNRN-KRWDZBQOSA-N 0 1 297.402 3.521 20 0 CHADMN COc1ccc(CN2CCCC[C@H]2c2ccc(C)cc2)nn1 ZINC000283056390 1127121271 /nfs/dbraw/zinc/12/12/71/1127121271.db2.gz JGHGZDQJBXTNRN-KRWDZBQOSA-N 0 1 297.402 3.521 20 0 CHADMN Cc1nnc([C@H](C)N2CC[C@H](c3ccc(F)cc3)C2)s1 ZINC000283256842 1127127893 /nfs/dbraw/zinc/12/78/93/1127127893.db2.gz VTEQSDMSIYUEEF-GWCFXTLKSA-N 0 1 291.395 3.536 20 0 CHADMN CCc1ccc(CN2CCC[C@H]2c2cccnc2)o1 ZINC000348923052 1127134287 /nfs/dbraw/zinc/13/42/87/1127134287.db2.gz ROFSBWRTYQQGFA-INIZCTEOSA-N 0 1 256.349 3.574 20 0 CHADMN CCN(Cc1ccncc1)Cc1ccc(Cl)c(F)c1 ZINC000348893214 1127133518 /nfs/dbraw/zinc/13/35/18/1127133518.db2.gz KJTFSTLDWXWQFG-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN COCCN(C/C(C)=C\c1ccccc1)Cc1ccccn1 ZINC000349063103 1127138794 /nfs/dbraw/zinc/13/87/94/1127138794.db2.gz OYPRYWURNGXJEA-VKAVYKQESA-N 0 1 296.414 3.634 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H](C)c1cncc(F)c1 ZINC000349313616 1127146735 /nfs/dbraw/zinc/14/67/35/1127146735.db2.gz OWDOYZRLMBZXIT-UWVGGRQHSA-N 0 1 280.368 3.703 20 0 CHADMN CC[C@H](N[C@@H](CO)c1ccsc1)c1ccccc1OC ZINC000349344290 1127148306 /nfs/dbraw/zinc/14/83/06/1127148306.db2.gz RVMKTIXIUPUNBK-GJZGRUSLSA-N 0 1 291.416 3.531 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N[C@@H](CO)c2ccsc2)c1 ZINC000349354799 1127148418 /nfs/dbraw/zinc/14/84/18/1127148418.db2.gz MUZWUAVAAGBVQM-CJNGLKHVSA-N 0 1 275.417 3.749 20 0 CHADMN C[C@@]1(c2ccccc2)CN(C[C@@H]2CCC(F)(F)C2)CCO1 ZINC000571016640 1127152403 /nfs/dbraw/zinc/15/24/03/1127152403.db2.gz FHOWUVJZZPKFIM-ZBFHGGJFSA-N 0 1 295.373 3.669 20 0 CHADMN C[C@]1(F)CCCN(Cc2ccncc2C(F)(F)F)CC1 ZINC001237285858 1131078204 /nfs/dbraw/zinc/07/82/04/1131078204.db2.gz RVKKNEHKVUKGMO-ZDUSSCGKSA-N 0 1 290.304 3.815 20 0 CHADMN Cc1cc(C(=O)N2CCC[C@H](C)[C@H]2c2ccc(C)cc2)n[nH]1 ZINC000349408355 1127150467 /nfs/dbraw/zinc/15/04/67/1127150467.db2.gz PQIIHCSTYWIXRB-GUYCJALGSA-N 0 1 297.402 3.640 20 0 CHADMN Cc1ccc([C@H](N[C@@H]2c3ccccc3C[C@@H]2O)C2CCC2)o1 ZINC000349454707 1127151314 /nfs/dbraw/zinc/15/13/14/1127151314.db2.gz PUGKDKUEGOGXKH-QXAKKESOSA-N 0 1 297.398 3.677 20 0 CHADMN Cc1n[nH]cc1CN(C)Cc1ccc2ccccc2c1 ZINC000349587122 1127155312 /nfs/dbraw/zinc/15/53/12/1127155312.db2.gz ZYNSDGPXPRGMSE-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN Cc1ccccc1O[C@H](C)CNCc1ncc(Cl)s1 ZINC000349652754 1127156689 /nfs/dbraw/zinc/15/66/89/1127156689.db2.gz GAYNCEAKGZSBRV-LLVKDONJSA-N 0 1 296.823 3.662 20 0 CHADMN COC[C@H](CN([C@H](C)c1ccccc1Cl)C1CC1)OC ZINC000659874616 1127156682 /nfs/dbraw/zinc/15/66/82/1127156682.db2.gz SIKJBCYCNIRIIY-OCCSQVGLSA-N 0 1 297.826 3.527 20 0 CHADMN Cc1ccc(Cl)c(C[N@H+]2CCCC[C@H](O)C2)c1Cl ZINC001237334457 1131087350 /nfs/dbraw/zinc/08/73/50/1131087350.db2.gz PSGOWNHDDLPCOE-NSHDSACASA-N 0 1 288.218 3.649 20 0 CHADMN Cc1ccc(Cl)c(CN2CCCC[C@H](O)C2)c1Cl ZINC001237334457 1131087358 /nfs/dbraw/zinc/08/73/58/1131087358.db2.gz PSGOWNHDDLPCOE-NSHDSACASA-N 0 1 288.218 3.649 20 0 CHADMN CC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1ccc(OC)cc1 ZINC000294299438 1129215583 /nfs/dbraw/zinc/21/55/83/1129215583.db2.gz ZRDYDJPIXDJUAM-UHOFOFEASA-N 0 1 285.391 3.638 20 0 CHADMN Brc1ccncc1CN1C2CCCC1CCC2 ZINC001237389236 1131094823 /nfs/dbraw/zinc/09/48/23/1131094823.db2.gz NALPZDROSYUIBL-UHFFFAOYSA-N 0 1 295.224 3.751 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H](CCO)c1ccccc1 ZINC000349820738 1127162958 /nfs/dbraw/zinc/16/29/58/1127162958.db2.gz HMXVQBTVHUZNAA-JSGCOSHPSA-N 0 1 291.416 3.531 20 0 CHADMN CSc1cncc(-c2cc(O)c(F)c(F)c2F)c1 ZINC001245635472 1131096368 /nfs/dbraw/zinc/09/63/68/1131096368.db2.gz KJEAATGFDIIKGC-UHFFFAOYSA-N 0 1 271.263 3.593 20 0 CHADMN Brc1cc(CN2CC[C@@H]3CCCC[C@@H]32)ccn1 ZINC000829012625 1127163689 /nfs/dbraw/zinc/16/36/89/1127163689.db2.gz SCDXTSHFRNGXBW-STQMWFEESA-N 0 1 295.224 3.609 20 0 CHADMN CCC1(C)CCN(Cc2ccncc2Cl)CC1 ZINC000350058802 1127172156 /nfs/dbraw/zinc/17/21/56/1127172156.db2.gz HKQQLPQXFJANMU-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc3cc(C)c(C)cc3o2)n(C)n1 ZINC000284081883 1127173355 /nfs/dbraw/zinc/17/33/55/1127173355.db2.gz BDHPSIHSGCFDAW-AWEZNQCLSA-N 0 1 297.402 3.942 20 0 CHADMN CCCc1cc(C(=O)N2CCC3(CCCCC3)CC2)n[nH]1 ZINC000588137370 1127176378 /nfs/dbraw/zinc/17/63/78/1127176378.db2.gz JKCUFYXJDVIQSD-UHFFFAOYSA-N 0 1 289.423 3.549 20 0 CHADMN COc1ccc([C@@H](C)N(C)Cc2c(C)nsc2C)cc1 ZINC000571819078 1127178112 /nfs/dbraw/zinc/17/81/12/1127178112.db2.gz ZYQOWBHPVZBLSV-GFCCVEGCSA-N 0 1 290.432 3.962 20 0 CHADMN Cc1cc([C@@H](C)NCCCCOc2ccc(C)cc2)no1 ZINC000284265888 1127179227 /nfs/dbraw/zinc/17/92/27/1127179227.db2.gz WMOLHBYWOUCBNL-OAHLLOKOSA-N 0 1 288.391 3.801 20 0 CHADMN FC(F)(F)CO[C@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC000588177929 1127181173 /nfs/dbraw/zinc/18/11/73/1127181173.db2.gz VLKDKWAWASOFHH-UVCVVPOWSA-N 0 1 299.336 3.743 20 0 CHADMN Cc1cc(C)c(CN2CCC[C@@H]2c2ncc[nH]2)c(C)c1 ZINC000351066243 1127184973 /nfs/dbraw/zinc/18/49/73/1127184973.db2.gz SKTVKJKULDLZOA-MRXNPFEDSA-N 0 1 269.392 3.672 20 0 CHADMN CCc1nc([C@H](C)NC[C@H](OC)c2ccccc2)cs1 ZINC000284482516 1127186205 /nfs/dbraw/zinc/18/62/05/1127186205.db2.gz TYHBGLWGQRUOEN-WFASDCNBSA-N 0 1 290.432 3.744 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccc(C(C)C)cc2)n(C)n1 ZINC000284516981 1127188198 /nfs/dbraw/zinc/18/81/98/1127188198.db2.gz UJYFTGCJIARTML-CQSZACIVSA-N 0 1 271.408 3.703 20 0 CHADMN CC(C)Cn1ccnc1CN[C@H](C)CSC(C)(C)C ZINC000164801368 1127188697 /nfs/dbraw/zinc/18/86/97/1127188697.db2.gz DKSWMCVQIUUEGW-CYBMUJFWSA-N 0 1 283.485 3.549 20 0 CHADMN Cc1nocc1CN1CCC(OC2CCC(C)CC2)CC1 ZINC000351510422 1127190867 /nfs/dbraw/zinc/19/08/67/1127190867.db2.gz QGWXQCKJPFLCRC-UHFFFAOYSA-N 0 1 292.423 3.543 20 0 CHADMN Cc1n[nH]c(C(=O)N[C@@H](CC2CCC2)c2ccccc2)c1C ZINC000351527696 1127191933 /nfs/dbraw/zinc/19/19/33/1127191933.db2.gz ANHBMQJRULSHES-INIZCTEOSA-N 0 1 297.402 3.688 20 0 CHADMN Cc1cccc(C)c1CNc1nccn1CC(C)C ZINC000351551253 1127193131 /nfs/dbraw/zinc/19/31/31/1127193131.db2.gz TZRWVVVKIWZJQV-UHFFFAOYSA-N 0 1 257.381 3.768 20 0 CHADMN Fc1ccc(CNc2nccn2Cc2ccccc2)cc1F ZINC000351549728 1127193354 /nfs/dbraw/zinc/19/33/54/1127193354.db2.gz DWIKSMRMZFLKEQ-UHFFFAOYSA-N 0 1 299.324 3.822 20 0 CHADMN Fc1ccccc1CNc1nccn1Cc1ccccc1 ZINC000351550129 1127193538 /nfs/dbraw/zinc/19/35/38/1127193538.db2.gz IJYHYGOVEGHYAG-UHFFFAOYSA-N 0 1 281.334 3.683 20 0 CHADMN CCOc1ccccc1CNc1nccn1CC(C)C ZINC000351569266 1127194022 /nfs/dbraw/zinc/19/40/22/1127194022.db2.gz MGJQYMRPQSUYNP-UHFFFAOYSA-N 0 1 273.380 3.550 20 0 CHADMN CC1(C)CCN(Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000588904494 1127204455 /nfs/dbraw/zinc/20/44/55/1127204455.db2.gz AGDCQHVJPDQTEO-UHFFFAOYSA-N 0 1 281.783 3.691 20 0 CHADMN CN(Cc1ncc(-c2ccc(F)cc2)o1)CC(C)(C)C ZINC000588901343 1127204669 /nfs/dbraw/zinc/20/46/69/1127204669.db2.gz IZAIJVXPGOVBNT-UHFFFAOYSA-N 0 1 276.355 3.959 20 0 CHADMN CC1(C)CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000588904902 1127204694 /nfs/dbraw/zinc/20/46/94/1127204694.db2.gz QMQZWBSAKMBOHY-UHFFFAOYSA-N 0 1 277.799 3.610 20 0 CHADMN CCC(C)(C)c1ccc(CN(C)[C@H](C)C[S@@](C)=O)cc1 ZINC000351719469 1127205757 /nfs/dbraw/zinc/20/57/57/1127205757.db2.gz MGRCLWBCJSBLBP-JLTOFOAXSA-N 0 1 295.492 3.573 20 0 CHADMN C[C@@H]([N@@H+](C)Cc1cccc(O)c1Cl)C1(C)CC1 ZINC000351773506 1127208332 /nfs/dbraw/zinc/20/83/32/1127208332.db2.gz GOUFCDFZVCHMCS-SNVBAGLBSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]([N@H+](C)Cc1cccc([O-])c1Cl)C1(C)CC1 ZINC000351773506 1127208335 /nfs/dbraw/zinc/20/83/35/1127208335.db2.gz GOUFCDFZVCHMCS-SNVBAGLBSA-N 0 1 253.773 3.666 20 0 CHADMN C[C@@H]([N@@H+](C)Cc1cccc([O-])c1Cl)C1(C)CC1 ZINC000351773506 1127208338 /nfs/dbraw/zinc/20/83/38/1127208338.db2.gz GOUFCDFZVCHMCS-SNVBAGLBSA-N 0 1 253.773 3.666 20 0 CHADMN CC(C)(C)c1nnc(CN2CCC[C@@H]2C2CCCC2)o1 ZINC000056308590 1127211585 /nfs/dbraw/zinc/21/15/85/1127211585.db2.gz FIZKYBMUUVOJLO-CYBMUJFWSA-N 0 1 277.412 3.522 20 0 CHADMN Cc1ccc(-c2csc(CN(C)CC3CC3)n2)cc1 ZINC000351858277 1127211828 /nfs/dbraw/zinc/21/18/28/1127211828.db2.gz VLAZZDRCPYLOLD-UHFFFAOYSA-N 0 1 272.417 3.960 20 0 CHADMN C[C@H](F)CCN[C@@H](c1nccs1)c1ccccc1 ZINC000351880075 1127213133 /nfs/dbraw/zinc/21/31/33/1127213133.db2.gz WELJEGHPXQFCII-WCQYABFASA-N 0 1 264.369 3.570 20 0 CHADMN Clc1cnccc1CN1CC[C@@H]1Cc1ccccc1 ZINC000351881611 1127213268 /nfs/dbraw/zinc/21/32/68/1127213268.db2.gz MIAKJNHXMHKQJV-OAHLLOKOSA-N 0 1 272.779 3.552 20 0 CHADMN Cc1ncc(CN2C[C@@H](C)C[C@H]2c2cccc(F)c2)cn1 ZINC000352007722 1127215094 /nfs/dbraw/zinc/21/50/94/1127215094.db2.gz YLROKLHVZWYUMH-SJCJKPOMSA-N 0 1 285.366 3.507 20 0 CHADMN C[C@@H]1CN(Cc2cc(F)cc3cccnc32)CCC1(F)F ZINC000352006569 1127215509 /nfs/dbraw/zinc/21/55/09/1127215509.db2.gz JIDXKGZFSKEFST-LLVKDONJSA-N 0 1 294.320 3.851 20 0 CHADMN Cc1cc([C@H](C)NC2CC(C)(c3ccccc3)C2)no1 ZINC000285070458 1127216283 /nfs/dbraw/zinc/21/62/83/1127216283.db2.gz JEWUFRDFXWWCPR-KTAKPFMOSA-N 0 1 270.376 3.754 20 0 CHADMN Cc1cc([C@@H](C)NC2CC(C)(c3ccccc3)C2)no1 ZINC000285070451 1127216322 /nfs/dbraw/zinc/21/63/22/1127216322.db2.gz JEWUFRDFXWWCPR-BZOOQXSSSA-N 0 1 270.376 3.754 20 0 CHADMN CO[C@H](C)CN1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000285074232 1127216520 /nfs/dbraw/zinc/21/65/20/1127216520.db2.gz PFMWHHBZCZVCFE-RHSMWYFYSA-N 0 1 299.418 3.639 20 0 CHADMN COc1ccc(CN2CCC[C@H](C)[C@H](C)C2)c(Cl)n1 ZINC001237792360 1131141526 /nfs/dbraw/zinc/14/15/26/1131141526.db2.gz PMSOUAGHAPFBRS-NWDGAFQWSA-N 0 1 282.815 3.612 20 0 CHADMN Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccoc1 ZINC000285105842 1127217785 /nfs/dbraw/zinc/21/77/85/1127217785.db2.gz NURFOAYLRMVRFV-UHFFFAOYSA-N 0 1 279.361 3.512 20 0 CHADMN CCc1ncc(C[N@@H+](C)CCc2ccc(C)cc2)s1 ZINC001237825320 1131144687 /nfs/dbraw/zinc/14/46/87/1131144687.db2.gz AJVJMPSOUXVPNV-UHFFFAOYSA-N 0 1 274.433 3.688 20 0 CHADMN CCc1ncc(CNc2nccn2Cc2ccccc2)s1 ZINC000285283086 1127221792 /nfs/dbraw/zinc/22/17/92/1127221792.db2.gz SHZIQVMRUAEEAL-UHFFFAOYSA-N 0 1 298.415 3.562 20 0 CHADMN Cc1cc([C@@H](C)NCCc2cc3ccccc3o2)no1 ZINC000285330174 1127223091 /nfs/dbraw/zinc/22/30/91/1127223091.db2.gz UGQZEINOSYLRAI-GFCCVEGCSA-N 0 1 270.332 3.623 20 0 CHADMN c1cc(CN2CCO[C@@H]3CCC[C@@H]32)cc(-c2ccncc2)c1 ZINC000352388640 1127228358 /nfs/dbraw/zinc/22/83/58/1127228358.db2.gz SZDZJCRBMIYVKH-RBUKOAKNSA-N 0 1 294.398 3.502 20 0 CHADMN Cc1cc(CN[C@H](c2ccccc2)c2ccc(F)cc2)[nH]n1 ZINC000589645735 1127233185 /nfs/dbraw/zinc/23/31/85/1127233185.db2.gz XNRVRYLNNOWEIO-GOSISDBHSA-N 0 1 295.361 3.736 20 0 CHADMN Clc1ccc(CNCc2n[nH]c3ccccc23)s1 ZINC000589645597 1127233420 /nfs/dbraw/zinc/23/34/20/1127233420.db2.gz BFRMKNVTAWIZRV-UHFFFAOYSA-N 0 1 277.780 3.568 20 0 CHADMN Clc1ccc(CNCc2[nH]nc3ccccc32)s1 ZINC000589645597 1127233423 /nfs/dbraw/zinc/23/34/23/1127233423.db2.gz BFRMKNVTAWIZRV-UHFFFAOYSA-N 0 1 277.780 3.568 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CNc2cnn(-c3ccncc3)c2)o1 ZINC000589650386 1127233530 /nfs/dbraw/zinc/23/35/30/1127233530.db2.gz NZCHWKNPNXOCLL-WBMJQRKESA-N 0 1 294.358 3.596 20 0 CHADMN CCc1ccc(CN[C@H](C)c2cc(C)ccn2)s1 ZINC000285570486 1127238349 /nfs/dbraw/zinc/23/83/49/1127238349.db2.gz HWVOKABMMUMKBO-GFCCVEGCSA-N 0 1 260.406 3.865 20 0 CHADMN Cc1cnc(CN2C[C@@H](C)CC[C@H]2c2ccccc2)o1 ZINC000285702105 1127240594 /nfs/dbraw/zinc/24/05/94/1127240594.db2.gz VYTFTXQENHPMCH-BBRMVZONSA-N 0 1 270.376 3.956 20 0 CHADMN C[C@@H](N[C@@H](C)Cc1ccccc1F)c1c(F)cncc1F ZINC000285696274 1127240947 /nfs/dbraw/zinc/24/09/47/1127240947.db2.gz OMTCOXWHWBYCJJ-WDEREUQCSA-N 0 1 294.320 3.781 20 0 CHADMN CCOc1ccc(CN[C@H](C)c2cc(C)ccn2)cc1F ZINC000285895671 1127246087 /nfs/dbraw/zinc/24/60/87/1127246087.db2.gz CLRKEKHNPPHWCU-CYBMUJFWSA-N 0 1 288.366 3.779 20 0 CHADMN CSC[C@@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000590054794 1127246981 /nfs/dbraw/zinc/24/69/81/1127246981.db2.gz LEZZSNJVKCBKIQ-GFCCVEGCSA-N 0 1 296.505 3.597 20 0 CHADMN Cc1ccc(C=Cc2n[nH]c(SCC(F)(F)F)n2)o1 ZINC000352999104 1127257324 /nfs/dbraw/zinc/25/73/24/1127257324.db2.gz HWUHNYLFBQLCOH-SNAWJCMRSA-N 0 1 289.282 3.531 20 0 CHADMN COCC[C@@H](N[C@@H](C)c1cnccc1C)c1ccc(C)o1 ZINC000352970387 1127255242 /nfs/dbraw/zinc/25/52/42/1127255242.db2.gz UTMGIMJLFPONHD-GOEBONIOSA-N 0 1 288.391 3.720 20 0 CHADMN Cc1cc(CCNCc2csc(Cl)c2Cl)on1 ZINC000353080036 1127260863 /nfs/dbraw/zinc/26/08/63/1127260863.db2.gz BODVXZYBQAJNJN-UHFFFAOYSA-N 0 1 291.203 3.684 20 0 CHADMN CCN(Cc1nc2cc(Br)ccc2o1)C1CC1 ZINC000286162722 1127261293 /nfs/dbraw/zinc/26/12/93/1127261293.db2.gz YBTZKYLVZWZDJR-UHFFFAOYSA-N 0 1 295.180 3.575 20 0 CHADMN COCCCN(C)Cc1nc(-c2ccc(C)cc2)cs1 ZINC000286169389 1127261645 /nfs/dbraw/zinc/26/16/45/1127261645.db2.gz YOPXNEYHQLEHPT-UHFFFAOYSA-N 0 1 290.432 3.587 20 0 CHADMN CC(C)C[N@@H+](C)Cc1cc(F)cc(Br)c1F ZINC001238076066 1131167577 /nfs/dbraw/zinc/16/75/77/1131167577.db2.gz QZEPWIQIUHXXLW-UHFFFAOYSA-N 0 1 292.167 3.815 20 0 CHADMN CC(C)CN(C)Cc1cc(F)cc(Br)c1F ZINC001238076066 1131167579 /nfs/dbraw/zinc/16/75/79/1131167579.db2.gz QZEPWIQIUHXXLW-UHFFFAOYSA-N 0 1 292.167 3.815 20 0 CHADMN CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000286698126 1127272036 /nfs/dbraw/zinc/27/20/36/1127272036.db2.gz IWQLHBAJPOCSIS-RTHLEPHNSA-N 0 1 285.746 3.805 20 0 CHADMN Brc1cc(CN2CCC[C@@H]2C2CC2)cs1 ZINC000590787598 1127272596 /nfs/dbraw/zinc/27/25/96/1127272596.db2.gz BYBFZSBUKNLKAV-LLVKDONJSA-N 0 1 286.238 3.885 20 0 CHADMN COc1ccc2c(c1)CCCN(Cc1cccc(F)c1)C2 ZINC000590789288 1127273055 /nfs/dbraw/zinc/27/30/55/1127273055.db2.gz KLRMEKQBDPAVNP-UHFFFAOYSA-N 0 1 285.362 3.783 20 0 CHADMN Cc1occc1CNCc1c[nH]nc1-c1cccc(C)c1 ZINC000590881299 1127277057 /nfs/dbraw/zinc/27/70/57/1127277057.db2.gz DCJKZKJLNRGAGF-UHFFFAOYSA-N 0 1 281.359 3.576 20 0 CHADMN Cc1cscc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000353900358 1127277051 /nfs/dbraw/zinc/27/70/51/1127277051.db2.gz XXFOPRNUFVMBEG-UHFFFAOYSA-N 0 1 285.727 3.807 20 0 CHADMN C[C@H]1N(Cc2cccc(-c3ccncc3)c2)CCOC1(C)C ZINC000353900137 1127277155 /nfs/dbraw/zinc/27/71/55/1127277155.db2.gz NUYUEMCAEIOTQI-OAHLLOKOSA-N 0 1 296.414 3.748 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CN2CCSC(C)(C)C2)o1 ZINC000353908694 1127277348 /nfs/dbraw/zinc/27/73/48/1127277348.db2.gz CWDXBCZZIURIGU-DGCLKSJQSA-N 0 1 265.422 3.730 20 0 CHADMN C[C@H](NCc1cnn2ccccc12)c1csc(Cl)c1 ZINC000353912908 1127277706 /nfs/dbraw/zinc/27/77/06/1127277706.db2.gz FSBZYWYMNDIDON-JTQLQIEISA-N 0 1 291.807 3.900 20 0 CHADMN CCOc1ccccc1CN(C)[C@@H](CCO)c1ccccc1 ZINC000353923351 1127278757 /nfs/dbraw/zinc/27/87/57/1127278757.db2.gz PQKUUYBHPPYAJP-SFHVURJKSA-N 0 1 299.414 3.641 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2cnc3cc(C)ccn23)o1 ZINC000353918622 1127278963 /nfs/dbraw/zinc/27/89/63/1127278963.db2.gz ZGESMIDDRIVDGT-MRXNPFEDSA-N 0 1 295.386 3.881 20 0 CHADMN CCC[C@]1(C)CCC[N@@H+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000353932801 1127279397 /nfs/dbraw/zinc/27/93/97/1127279397.db2.gz TZPQXXAYAUXINB-XLIONFOSSA-N 0 1 293.476 3.826 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2ccc([S@](C)=O)cc2)C1 ZINC000353932801 1127279400 /nfs/dbraw/zinc/27/94/00/1127279400.db2.gz TZPQXXAYAUXINB-XLIONFOSSA-N 0 1 293.476 3.826 20 0 CHADMN O=C([O-])C[N@@H+](CCC1=CCCCC1)Cc1ccc(F)cc1 ZINC000573009100 1127280522 /nfs/dbraw/zinc/28/05/22/1127280522.db2.gz PZKYXLWUEPODTG-UHFFFAOYSA-N 0 1 291.366 3.603 20 0 CHADMN Cc1ccnc([C@H](C)N[C@H](C)c2ccc3n[nH]cc3c2)c1 ZINC000353969606 1127282579 /nfs/dbraw/zinc/28/25/79/1127282579.db2.gz BMQTZCZGNDYWFL-OLZOCXBDSA-N 0 1 280.375 3.678 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC[C@@H](n2ccnc2)C1 ZINC000591083201 1127285355 /nfs/dbraw/zinc/28/53/55/1127285355.db2.gz QVCGHBKNOXVOEM-TZMCWYRMSA-N 0 1 291.345 3.559 20 0 CHADMN Cc1ccccc1-c1noc(CN2[C@H](C)CCC[C@H]2C)n1 ZINC000591083512 1127285369 /nfs/dbraw/zinc/28/53/69/1127285369.db2.gz XPAFGWNTKJWMTC-ZIAGYGMSSA-N 0 1 285.391 3.808 20 0 CHADMN C[C@@H]1CCN(Cc2nc3cccnc3s2)CC1(C)C ZINC000354014694 1127285552 /nfs/dbraw/zinc/28/55/52/1127285552.db2.gz NLJOEABNFIACPX-LLVKDONJSA-N 0 1 275.421 3.559 20 0 CHADMN CCC[C@H](C)[C@H]1CCCN1Cc1csc(COC)n1 ZINC000354034894 1127287769 /nfs/dbraw/zinc/28/77/69/1127287769.db2.gz UQKRNQJXRVQVGV-GXTWGEPZSA-N 0 1 282.453 3.690 20 0 CHADMN CC[C@@H](CC(=O)NC[C@@H](c1ccsc1)N(C)C)C(C)C ZINC000591126020 1127287868 /nfs/dbraw/zinc/28/78/68/1127287868.db2.gz RFQCUZCMQMGIGD-ZFWWWQNUSA-N 0 1 296.480 3.539 20 0 CHADMN C[C@H]1CCN(Cc2nc(-c3ccsc3)no2)CC1(C)C ZINC000354043168 1127288255 /nfs/dbraw/zinc/28/82/55/1127288255.db2.gz WCSHBEJTSHJVHX-NSHDSACASA-N 0 1 291.420 3.666 20 0 CHADMN C[C@@H](NCc1nccc(C(F)F)n1)[C@@H](C)c1ccccc1 ZINC000287098308 1127288961 /nfs/dbraw/zinc/28/89/61/1127288961.db2.gz PYAZZBPNRBZRLG-VXGBXAGGSA-N 0 1 291.345 3.696 20 0 CHADMN C[C@H](c1ccccc1)[C@H](C)NCc1nccc(C(F)F)n1 ZINC000287098305 1127289190 /nfs/dbraw/zinc/28/91/90/1127289190.db2.gz PYAZZBPNRBZRLG-RYUDHWBXSA-N 0 1 291.345 3.696 20 0 CHADMN CSC[C@H]1CCCN1Cc1cccc(Cl)c1F ZINC000354073977 1127289926 /nfs/dbraw/zinc/28/99/26/1127289926.db2.gz RVMWLTOKSMNPAS-LLVKDONJSA-N 0 1 273.804 3.807 20 0 CHADMN Cc1nccc(NC[C@@H](c2cccnc2)C(C)C)c1Cl ZINC000354155750 1127296275 /nfs/dbraw/zinc/29/62/75/1127296275.db2.gz QEVCBZGRXVMLPU-CQSZACIVSA-N 0 1 289.810 3.712 20 0 CHADMN CC[C@@H](C)N(C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000591376387 1127299799 /nfs/dbraw/zinc/29/97/99/1127299799.db2.gz KSZGOOHJBSTDRG-SNVBAGLBSA-N 0 1 279.771 3.620 20 0 CHADMN Cc1cc(CN2CCC3(CC3)C2)c(F)cc1Cl ZINC001238300029 1131188864 /nfs/dbraw/zinc/18/88/64/1131188864.db2.gz PEAZDYAYEZTWIY-UHFFFAOYSA-N 0 1 253.748 3.773 20 0 CHADMN Cc1cc(CN2CC(C)(C)C[C@@]2(C)CO)c(F)cc1Cl ZINC001238301364 1131188923 /nfs/dbraw/zinc/18/89/23/1131188923.db2.gz XALWZFCAYRWVFV-INIZCTEOSA-N 0 1 299.817 3.770 20 0 CHADMN C=Cn1cc(CN2Cc3cc(C)ccc3CC2(C)C)cn1 ZINC000354434214 1127308125 /nfs/dbraw/zinc/30/81/25/1127308125.db2.gz PMIVSAYWYBWZGP-UHFFFAOYSA-N 0 1 281.403 3.629 20 0 CHADMN CCc1ccccc1CN[C@H](C)c1cc(OC)ncc1F ZINC000287780272 1127313431 /nfs/dbraw/zinc/31/34/31/1127313431.db2.gz SCFXYBMYVFPGSO-GFCCVEGCSA-N 0 1 288.366 3.643 20 0 CHADMN CCC[C@@H](NCc1n[nH]c2ccccc12)c1ccccn1 ZINC000591699052 1127313794 /nfs/dbraw/zinc/31/37/94/1127313794.db2.gz KVELVDVNGRODJJ-OAHLLOKOSA-N 0 1 280.375 3.589 20 0 CHADMN CCC[C@@H](NCc1[nH]nc2ccccc21)c1ccccn1 ZINC000591699052 1127313795 /nfs/dbraw/zinc/31/37/95/1127313795.db2.gz KVELVDVNGRODJJ-OAHLLOKOSA-N 0 1 280.375 3.589 20 0 CHADMN Cc1cc(CN2CC[C@H]3CCC[C@@H]3C2)ncc1Cl ZINC001238419495 1131196768 /nfs/dbraw/zinc/19/67/68/1131196768.db2.gz OJCUXHCCUUXVRX-CHWSQXEVSA-N 0 1 264.800 3.665 20 0 CHADMN CCC1CCN(Cc2ccc(F)c(F)c2OC)CC1 ZINC001238466815 1131204974 /nfs/dbraw/zinc/20/49/74/1131204974.db2.gz MMIKWZQTZZNLRR-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN CCN(Cc1ncoc1C(C)C)C1CC(C)(C)C1 ZINC001117938164 1131205943 /nfs/dbraw/zinc/20/59/43/1131205943.db2.gz LNFBRLUHKBMBEI-UHFFFAOYSA-N 0 1 250.386 3.809 20 0 CHADMN CC(C)c1nc(CNCC(C)(C)OCC2CC2)cs1 ZINC001117948297 1131206059 /nfs/dbraw/zinc/20/60/59/1131206059.db2.gz RDADOJPAZADUEY-UHFFFAOYSA-N 0 1 282.453 3.561 20 0 CHADMN Fc1ccc(CCN2CCC(C(F)F)CC2)c(Cl)c1 ZINC000573615470 1127320730 /nfs/dbraw/zinc/32/07/30/1127320730.db2.gz AIEAJLDSOILCAB-UHFFFAOYSA-N 0 1 291.744 3.999 20 0 CHADMN Fc1cc(CNC2(c3ccccc3)CC2)cc(F)c1F ZINC000068980053 1127325331 /nfs/dbraw/zinc/32/53/31/1127325331.db2.gz RHHAGCOSXMVETA-UHFFFAOYSA-N 0 1 277.289 3.883 20 0 CHADMN CC(C)(C(=O)Nc1cc(Cl)c(O)cc1F)C1CC1 ZINC000288250417 1127325392 /nfs/dbraw/zinc/32/53/92/1127325392.db2.gz QSPZFKCUFDAKKN-UHFFFAOYSA-N 0 1 271.719 3.559 20 0 CHADMN CCCCC[C@H]1CCCN1Cc1csc(COC)n1 ZINC000355213300 1127325622 /nfs/dbraw/zinc/32/56/22/1127325622.db2.gz QHRFZAFJQZTZFZ-AWEZNQCLSA-N 0 1 282.453 3.834 20 0 CHADMN CC(C)(C)c1nnc(CN2CCC[C@@H]3CCCC[C@@H]32)o1 ZINC000046054570 1127327764 /nfs/dbraw/zinc/32/77/64/1127327764.db2.gz MPGZSKGUAMDGEV-STQMWFEESA-N 0 1 277.412 3.522 20 0 CHADMN C[C@H]1CCCC[C@@]1(C)NCc1noc(-c2ccsc2)n1 ZINC000573806681 1127329550 /nfs/dbraw/zinc/32/95/50/1127329550.db2.gz FJLXTDROXFTOEK-XHDPSFHLSA-N 0 1 291.420 3.857 20 0 CHADMN CC(C)CC1CCN(Cc2cn3ccccc3n2)CC1 ZINC000760923278 1127333588 /nfs/dbraw/zinc/33/35/88/1127333588.db2.gz ZQXZFDGVGQJQLK-UHFFFAOYSA-N 0 1 271.408 3.592 20 0 CHADMN O=C(Nc1ccccc1)[C@H]1CCCCN1Cc1ccccc1 ZINC000355370476 1127336893 /nfs/dbraw/zinc/33/68/93/1127336893.db2.gz MQCSQPBCJNSPRM-GOSISDBHSA-N 0 1 294.398 3.680 20 0 CHADMN Cc1ccc(-c2ncc(CN[C@H](C)CF)s2)cc1 ZINC000288469048 1127341698 /nfs/dbraw/zinc/34/16/98/1127341698.db2.gz OURBSLCFELZKQH-LLVKDONJSA-N 0 1 264.369 3.566 20 0 CHADMN COC[C@H](NCc1cnccc1C)c1cccc(Cl)c1 ZINC000288570732 1127348301 /nfs/dbraw/zinc/34/83/01/1127348301.db2.gz NBNAQXWUIDVUMZ-INIZCTEOSA-N 0 1 290.794 3.521 20 0 CHADMN CCCCCc1ccc(NC(=O)CN(C)CCC)cc1 ZINC000592434160 1127348559 /nfs/dbraw/zinc/34/85/59/1127348559.db2.gz ZLCZFIYGTDRNBL-UHFFFAOYSA-N 0 1 276.424 3.700 20 0 CHADMN CO[C@H](C)c1nc(CN2CCC[C@@H]2CC(C)C)cs1 ZINC000355551526 1127348605 /nfs/dbraw/zinc/34/86/05/1127348605.db2.gz IQYAMYATPNWVDV-TZMCWYRMSA-N 0 1 282.453 3.861 20 0 CHADMN CO[C@H](C)c1nc(CN2CCC[C@H]2CC(C)C)cs1 ZINC000355551524 1127348904 /nfs/dbraw/zinc/34/89/04/1127348904.db2.gz IQYAMYATPNWVDV-OCCSQVGLSA-N 0 1 282.453 3.861 20 0 CHADMN Cc1ccncc1CN(C)C/C=C/c1ccccc1 ZINC000355586202 1127351132 /nfs/dbraw/zinc/35/11/32/1127351132.db2.gz SWEWZDQQBHOIPX-RMKNXTFCSA-N 0 1 252.361 3.535 20 0 CHADMN Cc1ccncc1CN(C)Cc1cccc(C)c1C ZINC000355599934 1127353079 /nfs/dbraw/zinc/35/30/79/1127353079.db2.gz PEIJHWVIMFRCLI-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN CCN(Cc1nccn1Cc1ccccc1)CC1CCC1 ZINC000355606661 1127353199 /nfs/dbraw/zinc/35/31/99/1127353199.db2.gz MDTMDDVFTGPWLG-UHFFFAOYSA-N 0 1 283.419 3.553 20 0 CHADMN Cc1ccncc1CN(C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000355614814 1127354714 /nfs/dbraw/zinc/35/47/14/1127354714.db2.gz XBRGMXFTWCRHPV-UHFFFAOYSA-N 0 1 296.414 3.736 20 0 CHADMN Cc1ccc(CN[C@H]2c3ccccc3O[C@H]2C)s1 ZINC000288701337 1127358182 /nfs/dbraw/zinc/35/81/82/1127358182.db2.gz YMZOKWOQXRJFIK-XHDPSFHLSA-N 0 1 259.374 3.668 20 0 CHADMN CC(C)CN(CC(C)C)Cn1sc2ccccc2c1=O ZINC000058583356 1127361122 /nfs/dbraw/zinc/36/11/22/1127361122.db2.gz KOGIQRCMHKWPKY-UHFFFAOYSA-N 0 1 292.448 3.635 20 0 CHADMN COC[C@@H]1CCN([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000480539879 1127372870 /nfs/dbraw/zinc/37/28/70/1127372870.db2.gz LXKSKDABZKNFKJ-WDEREUQCSA-N 0 1 271.763 3.508 20 0 CHADMN CCO[C@@H]1C[C@H](N[C@@H](C)c2ncc(C)o2)C1(CC)CC ZINC000356289738 1127381189 /nfs/dbraw/zinc/38/11/89/1127381189.db2.gz ULFNITSRPLPTCQ-MELADBBJSA-N 0 1 280.412 3.617 20 0 CHADMN CCC[C@@H](NCc1cnc([C@@H](C)O)s1)c1ccccc1 ZINC000289337131 1127381543 /nfs/dbraw/zinc/38/15/43/1127381543.db2.gz VROTVKOGEJRSIK-IUODEOHRSA-N 0 1 290.432 3.827 20 0 CHADMN Cc1ccc(CN[C@H](CCO)c2ccccc2)c(Cl)c1 ZINC000574283121 1127382057 /nfs/dbraw/zinc/38/20/57/1127382057.db2.gz JYQMOTNYSNHWJB-QGZVFWFLSA-N 0 1 289.806 3.862 20 0 CHADMN Cc1cccc2c1CC[C@@H]2NCc1cn2c(cccc2C)n1 ZINC000358166989 1127405707 /nfs/dbraw/zinc/40/57/07/1127405707.db2.gz XJCQSOSZECWHAF-SFHVURJKSA-N 0 1 291.398 3.728 20 0 CHADMN Cc1n[nH]cc1CN[C@@H]1CCCOc2ccc(C(C)C)cc21 ZINC000358173546 1127406296 /nfs/dbraw/zinc/40/62/96/1127406296.db2.gz VUXLNKXVWQDJBH-QGZVFWFLSA-N 0 1 299.418 3.845 20 0 CHADMN C[C@@H](c1cccc(F)c1)N1CC[C@H](C(F)(F)F)C1 ZINC000761048407 1127410998 /nfs/dbraw/zinc/41/09/98/1127410998.db2.gz YGDAQFFAHREIKX-ONGXEEELSA-N 0 1 261.262 3.771 20 0 CHADMN CC(C)=CCC[C@@H](C)NCc1nnc(C(C)C)s1 ZINC000358271487 1127412030 /nfs/dbraw/zinc/41/20/30/1127412030.db2.gz YNFWQKBWBOPHIY-GFCCVEGCSA-N 0 1 267.442 3.886 20 0 CHADMN CCc1nc([C@@H](C)N[C@H](C)c2ccc3ccccc3c2)n[nH]1 ZINC000358268491 1127412331 /nfs/dbraw/zinc/41/23/31/1127412331.db2.gz RXDRFSCPMBRNDO-CHWSQXEVSA-N 0 1 294.402 3.932 20 0 CHADMN CC[C@H](CC(F)(F)F)NCc1ccc(SC)o1 ZINC000641747233 1127412503 /nfs/dbraw/zinc/41/25/03/1127412503.db2.gz HWSUUUFPLLSGAG-MRVPVSSYSA-N 0 1 267.316 3.822 20 0 CHADMN COC(=O)c1ccc2c(c1)[C@H](NCc1ccoc1C)CCC2 ZINC000594505309 1127418816 /nfs/dbraw/zinc/41/88/16/1127418816.db2.gz PTBSLQOOJHQMML-QGZVFWFLSA-N 0 1 299.370 3.542 20 0 CHADMN COC(=O)c1cc(CNCc2ccc(C3CC3)cc2)c(C)o1 ZINC000594614854 1127426262 /nfs/dbraw/zinc/42/62/62/1127426262.db2.gz PCXJNEAIJWOGOD-UHFFFAOYSA-N 0 1 299.370 3.542 20 0 CHADMN C[C@H](c1ccc(Cl)c(Cl)c1)N1CCN(C)[C@@H](C)C1 ZINC000761081485 1127434540 /nfs/dbraw/zinc/43/45/40/1127434540.db2.gz XBZVVGVZGJEORL-WDEREUQCSA-N 0 1 287.234 3.690 20 0 CHADMN Cc1cc(C)c(NC(=O)c2cc(-c3ccco3)n[nH]2)c(C)c1 ZINC000358852225 1127436575 /nfs/dbraw/zinc/43/65/75/1127436575.db2.gz VOBYNEDSZBRSEX-UHFFFAOYSA-N 0 1 295.342 3.847 20 0 CHADMN CCCc1cccc(CN[C@@H](CO)c2ccsc2)c1 ZINC000359016371 1127444772 /nfs/dbraw/zinc/44/47/72/1127444772.db2.gz GAURQRPETCBXAR-INIZCTEOSA-N 0 1 275.417 3.524 20 0 CHADMN Cc1ccc(Cl)cc1N(C)C(=O)c1ccc2cncn2c1 ZINC000359275772 1127456037 /nfs/dbraw/zinc/45/60/37/1127456037.db2.gz AJYUFEBYTNPGIT-UHFFFAOYSA-N 0 1 299.761 3.573 20 0 CHADMN CC[C@H](c1ccc(Br)cc1)N1CC[C@@H]2C[C@@H]21 ZINC000761099323 1127456421 /nfs/dbraw/zinc/45/64/21/1127456421.db2.gz WNMOLIPGJKWNIJ-BNOWGMLFSA-N 0 1 280.209 3.994 20 0 CHADMN CCCCn1cc(CN[C@H](C)c2ccsc2)c(C)n1 ZINC000359321522 1127458913 /nfs/dbraw/zinc/45/89/13/1127458913.db2.gz GINWNUUZFHHXDF-GFCCVEGCSA-N 0 1 277.437 3.904 20 0 CHADMN c1csc(-c2noc([C@@H]3CC[C@@H]4CCCC[C@H]4N3)n2)c1 ZINC000227215895 1127460876 /nfs/dbraw/zinc/46/08/76/1127460876.db2.gz MQADYHOIVYQWTP-TUAOUCFPSA-N 0 1 289.404 3.781 20 0 CHADMN CC[C@H]1C[N@H+](Cc2ncccc2[O-])CC[C@@H]1c1ccccc1 ZINC000575026797 1127461121 /nfs/dbraw/zinc/46/11/21/1127461121.db2.gz AICVVDFPBWAWIH-RDJZCZTQSA-N 0 1 296.414 3.803 20 0 CHADMN CC[C@H]1C[N@@H+](Cc2ncccc2[O-])CC[C@@H]1c1ccccc1 ZINC000575026797 1127461124 /nfs/dbraw/zinc/46/11/24/1127461124.db2.gz AICVVDFPBWAWIH-RDJZCZTQSA-N 0 1 296.414 3.803 20 0 CHADMN COc1ccnc(CN(Cc2ccccc2C)C2CC2)c1 ZINC000359392126 1127461164 /nfs/dbraw/zinc/46/11/64/1127461164.db2.gz SSTFDYYFHFPLIS-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN CC[C@H](CNC1(C(=O)OC)CCCCCC1)CC(F)F ZINC000595411192 1127461567 /nfs/dbraw/zinc/46/15/67/1127461567.db2.gz ZOHAQRIIQCGDJV-LBPRGKRZSA-N 0 1 291.382 3.523 20 0 CHADMN CO[C@@H](CNCc1csc(-c2ccco2)n1)CC(C)C ZINC000669572390 1127465103 /nfs/dbraw/zinc/46/51/03/1127465103.db2.gz MSNHVCOKUILTQH-CYBMUJFWSA-N 0 1 294.420 3.554 20 0 CHADMN COC(=O)c1cccc(CN2C[C@@H]3CCCC[C@@H]32)c1Cl ZINC000595568326 1127466050 /nfs/dbraw/zinc/46/60/50/1127466050.db2.gz UGYFYSPWOXUBLI-FZMZJTMJSA-N 0 1 293.794 3.501 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)N(Cc1cnccc1C)[C@H]2C ZINC000359544787 1127467412 /nfs/dbraw/zinc/46/74/12/1127467412.db2.gz XANVIJXTPYTBMM-GJZGRUSLSA-N 0 1 296.414 3.906 20 0 CHADMN CC(C)c1noc([C@@H](C)[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)n1 ZINC000359569497 1127468660 /nfs/dbraw/zinc/46/86/60/1127468660.db2.gz YVKIUOOMZXMXRL-XJKCOSOUSA-N 0 1 277.412 3.766 20 0 CHADMN CC(C)c1noc([C@@H](C)N2CC[C@@]3(CC[C@@H](C)C3)C2)n1 ZINC000359569497 1127468661 /nfs/dbraw/zinc/46/86/61/1127468661.db2.gz YVKIUOOMZXMXRL-XJKCOSOUSA-N 0 1 277.412 3.766 20 0 CHADMN Cc1nc(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)c(C)s1 ZINC000359570101 1127468704 /nfs/dbraw/zinc/46/87/04/1127468704.db2.gz ZINSBAXCSSJOIZ-NHYWBVRUSA-N 0 1 264.438 3.772 20 0 CHADMN Cc1nc(C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c(C)s1 ZINC000359570097 1127468987 /nfs/dbraw/zinc/46/89/87/1127468987.db2.gz ZINSBAXCSSJOIZ-ABAIWWIYSA-N 0 1 264.438 3.772 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@H](C)C(C)(C)CC)n1 ZINC000595638625 1127469383 /nfs/dbraw/zinc/46/93/83/1127469383.db2.gz JAEJMSCRNRIZJQ-GHMZBOCLSA-N 0 1 285.457 3.798 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)c1 ZINC000359592533 1127469531 /nfs/dbraw/zinc/46/95/31/1127469531.db2.gz YJPZPNDBPIZGLC-XIKOKIGWSA-N 0 1 297.402 3.524 20 0 CHADMN CC(C)CCCNCc1occc1Br ZINC000227365331 1127472671 /nfs/dbraw/zinc/47/26/71/1127472671.db2.gz PYFGMZQYOYLJHN-UHFFFAOYSA-N 0 1 260.175 3.568 20 0 CHADMN C(=C\c1ccccc1)\CNCc1nccn1-c1ccccc1 ZINC000359693397 1127473274 /nfs/dbraw/zinc/47/32/74/1127473274.db2.gz FNEBJYLROGZPKR-YFHOEESVSA-N 0 1 289.382 3.675 20 0 CHADMN CCC[C@](C)(CC)C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000359844351 1127480433 /nfs/dbraw/zinc/48/04/33/1127480433.db2.gz NFWLSPPSGDRTBR-HNNXBMFYSA-N 0 1 290.367 3.528 20 0 CHADMN C[C@H]1COc2ccccc2CN1Cc1ccccc1N(C)C ZINC000359876034 1127481567 /nfs/dbraw/zinc/48/15/67/1127481567.db2.gz OVSUDRLWOJTFFG-HNNXBMFYSA-N 0 1 296.414 3.536 20 0 CHADMN CO[C@@H](C)CN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000360027225 1127487234 /nfs/dbraw/zinc/48/72/34/1127487234.db2.gz GIBKXVHSWYLGBG-XHDPSFHLSA-N 0 1 269.335 3.527 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2occc21)c1c(C)nn(C)c1C ZINC000360055602 1127488644 /nfs/dbraw/zinc/48/86/44/1127488644.db2.gz PEMQLAUBEBPGFA-LSDHHAIUSA-N 0 1 287.407 3.748 20 0 CHADMN c1sc2ccccc2c1C[N@H+]1CCOCC2(CC2)C1 ZINC000360096014 1127489706 /nfs/dbraw/zinc/48/97/06/1127489706.db2.gz CYONJGFDPJRIJO-UHFFFAOYSA-N 0 1 273.401 3.514 20 0 CHADMN c1sc2ccccc2c1CN1CCOCC2(CC2)C1 ZINC000360096014 1127489709 /nfs/dbraw/zinc/48/97/09/1127489709.db2.gz CYONJGFDPJRIJO-UHFFFAOYSA-N 0 1 273.401 3.514 20 0 CHADMN Cc1cc(C2CCN(Cc3ccc(Cl)s3)CC2)n[nH]1 ZINC000360206715 1127491917 /nfs/dbraw/zinc/49/19/17/1127491917.db2.gz BRCILPIBXTWMCJ-UHFFFAOYSA-N 0 1 295.839 3.813 20 0 CHADMN Cc1cc(C2CCN(Cc3ccc(Cl)s3)CC2)[nH]n1 ZINC000360206715 1127491918 /nfs/dbraw/zinc/49/19/18/1127491918.db2.gz BRCILPIBXTWMCJ-UHFFFAOYSA-N 0 1 295.839 3.813 20 0 CHADMN Cc1c(Cl)cccc1S(=O)(=O)Nc1ccsc1 ZINC000360232036 1127493616 /nfs/dbraw/zinc/49/36/16/1127493616.db2.gz XVBYGBZYVQQLIQ-UHFFFAOYSA-N 0 1 287.793 3.511 20 0 CHADMN C/C=C\c1ccc(NC(=O)c2ccc3cncn3c2)cc1 ZINC000360326148 1127496027 /nfs/dbraw/zinc/49/60/27/1127496027.db2.gz RJNUGFQXPUTGRQ-IHWYPQMZSA-N 0 1 277.327 3.620 20 0 CHADMN Cc1cc(F)cc(C(=O)Nc2cc3cn[nH]c3cc2C)c1 ZINC000360416797 1127499032 /nfs/dbraw/zinc/49/90/32/1127499032.db2.gz MJWQKSNBUOFKIY-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN C[C@H]1CCCC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000360612398 1127503022 /nfs/dbraw/zinc/50/30/22/1127503022.db2.gz JEUQOTYRLCCSPK-AWEZNQCLSA-N 0 1 261.413 3.620 20 0 CHADMN C[C@H]1CCCCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000360612398 1127503024 /nfs/dbraw/zinc/50/30/24/1127503024.db2.gz JEUQOTYRLCCSPK-AWEZNQCLSA-N 0 1 261.413 3.620 20 0 CHADMN Cc1nc([C@H]2CCCN2CCCc2ccncc2)cs1 ZINC000360628341 1127503240 /nfs/dbraw/zinc/50/32/40/1127503240.db2.gz GSEDXMNEQPSTCL-MRXNPFEDSA-N 0 1 287.432 3.616 20 0 CHADMN Cc1cnc(CN2CC[C@@H](C)C3(CCCCC3)C2)nc1 ZINC000360628307 1127503714 /nfs/dbraw/zinc/50/37/14/1127503714.db2.gz OFWVKBXMKNCKOR-OAHLLOKOSA-N 0 1 273.424 3.577 20 0 CHADMN Cc1sccc1CNC1(c2cccc(F)c2)CC1 ZINC000293597819 1127507751 /nfs/dbraw/zinc/50/77/51/1127507751.db2.gz OQRRCBBSQZSYPP-UHFFFAOYSA-N 0 1 261.365 3.975 20 0 CHADMN COC1(CCN2Cc3cccc(Cl)c3C2)CCC1 ZINC000293632113 1127509622 /nfs/dbraw/zinc/50/96/22/1127509622.db2.gz REEYOXGWQUVAFF-UHFFFAOYSA-N 0 1 265.784 3.615 20 0 CHADMN CCc1noc(C)c1CN[C@H](c1cccnc1)C1CCC1 ZINC000293658679 1127511378 /nfs/dbraw/zinc/51/13/78/1127511378.db2.gz IKYQWCZXGBPFAX-KRWDZBQOSA-N 0 1 285.391 3.571 20 0 CHADMN COCC1=CCN(Cc2ccc(SC(C)C)cc2)CC1 ZINC000360780209 1127511640 /nfs/dbraw/zinc/51/16/40/1127511640.db2.gz FNYYUQCWSUFPNT-UHFFFAOYSA-N 0 1 291.460 3.966 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1ccc(C(C)(F)F)cc1 ZINC000293775654 1127519600 /nfs/dbraw/zinc/51/96/00/1127519600.db2.gz SOBOFCWDYBSMOI-GFCCVEGCSA-N 0 1 291.345 3.748 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2c(F)cccc2Cl)C12CCC2 ZINC000360931588 1127521420 /nfs/dbraw/zinc/52/14/20/1127521420.db2.gz PVNSPPKJZOSLPL-CABCVRRESA-N 0 1 297.801 3.916 20 0 CHADMN Cc1nc(C(C)C)ccc1CN[C@H](C)c1cccnc1 ZINC000293811576 1127522076 /nfs/dbraw/zinc/52/20/76/1127522076.db2.gz OGEFCAIHGNYWMZ-CYBMUJFWSA-N 0 1 269.392 3.759 20 0 CHADMN CCN(Cc1nc(-c2ccccc2)cs1)C[C@H](C)OC ZINC000361007977 1127529222 /nfs/dbraw/zinc/52/92/22/1127529222.db2.gz CNEYDTLCSZQHAL-ZDUSSCGKSA-N 0 1 290.432 3.667 20 0 CHADMN COC1(CN[C@@H](C)c2csc(C)n2)CCC(C)CC1 ZINC000360986142 1127526346 /nfs/dbraw/zinc/52/63/46/1127526346.db2.gz JSNVPJYSJZPYGW-AVERBVTBSA-N 0 1 282.453 3.697 20 0 CHADMN Cc1nn(C(C)C)cc1CNCc1ccc(C)c(F)c1 ZINC000360982676 1127526434 /nfs/dbraw/zinc/52/64/34/1127526434.db2.gz KCBWYZYOHSULLN-UHFFFAOYSA-N 0 1 275.371 3.510 20 0 CHADMN FCCCCN[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000361001009 1127528385 /nfs/dbraw/zinc/52/83/85/1127528385.db2.gz DJGYQNFPHCPPSZ-MRXNPFEDSA-N 0 1 294.320 3.789 20 0 CHADMN CCCc1nc(C)c(CN[C@@H]2c3ccccc3C[C@H]2C)o1 ZINC000293893884 1127531069 /nfs/dbraw/zinc/53/10/69/1127531069.db2.gz ZHXOITZKVPEPHV-XIKOKIGWSA-N 0 1 284.403 3.959 20 0 CHADMN Cc1ncc([C@@H](C)NCc2ccc(C(F)F)cc2)c(C)n1 ZINC000361028983 1127531634 /nfs/dbraw/zinc/53/16/34/1127531634.db2.gz GNVKTKRCTLCVNT-SNVBAGLBSA-N 0 1 291.345 3.882 20 0 CHADMN CCCN(Cc1cnn(CC)c1)[C@H]1CCCc2cccnc21 ZINC000361035364 1127532189 /nfs/dbraw/zinc/53/21/89/1127532189.db2.gz BBKMCFNPIQTNQS-KRWDZBQOSA-N 0 1 298.434 3.588 20 0 CHADMN CCCN(Cc1ccnn1CC)[C@H]1CCCc2cccnc21 ZINC000361039406 1127532555 /nfs/dbraw/zinc/53/25/55/1127532555.db2.gz XYKNOTUHJYSPMQ-KRWDZBQOSA-N 0 1 298.434 3.588 20 0 CHADMN C[C@@H]1c2ccccc2CN1CCC(=O)Nc1cccc(F)c1 ZINC000361074219 1127535424 /nfs/dbraw/zinc/53/54/24/1127535424.db2.gz SKVDXBJNKHUJDT-CYBMUJFWSA-N 0 1 298.361 3.731 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1ccccc1N(C)C)C2 ZINC000361116002 1127539429 /nfs/dbraw/zinc/53/94/29/1127539429.db2.gz ZTXTTXDYQPAWMV-UHFFFAOYSA-N 0 1 266.388 3.577 20 0 CHADMN Cn1cc(CNCc2ccc(C3CC3)cc2)c(C(F)F)n1 ZINC000361120695 1127540262 /nfs/dbraw/zinc/54/02/62/1127540262.db2.gz CJWBFIWNKOBYKQ-UHFFFAOYSA-N 0 1 291.345 3.525 20 0 CHADMN COc1ccc(F)cc1CNCc1cccc2cc[nH]c21 ZINC000361147514 1127542752 /nfs/dbraw/zinc/54/27/52/1127542752.db2.gz SVIDBFODIHGSOT-UHFFFAOYSA-N 0 1 284.334 3.605 20 0 CHADMN COCC[C@H](N[C@@H](C)c1ccccn1)c1ccccc1 ZINC000361147083 1127542331 /nfs/dbraw/zinc/54/23/31/1127542331.db2.gz RBXWPIKMVRRDCE-YOEHRIQHSA-N 0 1 270.376 3.510 20 0 CHADMN Cc1ccncc1CN[C@H](CC(C)C)c1ccccn1 ZINC000361147228 1127542590 /nfs/dbraw/zinc/54/25/90/1127542590.db2.gz SCUMQIRQGRUOEM-QGZVFWFLSA-N 0 1 269.392 3.662 20 0 CHADMN COCc1ccc(CN2CCC[C@@H](C(F)(F)F)[C@H]2C)o1 ZINC000361154372 1127542598 /nfs/dbraw/zinc/54/25/98/1127542598.db2.gz PDUSQTLIEJZUAT-ZWNOBZJWSA-N 0 1 291.313 3.589 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000361109826 1127538901 /nfs/dbraw/zinc/53/89/01/1127538901.db2.gz FPXOVOXOCUURQY-JYJNAYRXSA-N 0 1 285.497 3.600 20 0 CHADMN CCCN(Cc1cn(C)nc1C(F)F)Cc1ccccc1 ZINC000361178293 1127544519 /nfs/dbraw/zinc/54/45/19/1127544519.db2.gz MVCGQEBDVGEBFS-UHFFFAOYSA-N 0 1 293.361 3.770 20 0 CHADMN Cc1cncc([C@@H](C)Nc2cc3c(cn2)CCCC3)c1 ZINC000361185008 1127545593 /nfs/dbraw/zinc/54/55/93/1127545593.db2.gz BEAPOHCDHUJFIJ-CYBMUJFWSA-N 0 1 267.376 3.837 20 0 CHADMN COC1(C[C@@H](C)Nc2cc3c(cn2)CCCC3)CCC1 ZINC000361189595 1127546549 /nfs/dbraw/zinc/54/65/49/1127546549.db2.gz NPMLVEBWCBWUIC-CYBMUJFWSA-N 0 1 274.408 3.720 20 0 CHADMN CC(C)O[C@H]1C[C@H](NCc2csc(C3CC3)n2)C1(C)C ZINC000361228750 1127548294 /nfs/dbraw/zinc/54/82/94/1127548294.db2.gz NSGJLUXKHVDLTK-KBPBESRZSA-N 0 1 294.464 3.702 20 0 CHADMN CCc1nn(C)c(Cl)c1CN1CC[C@@H](C)C(C)(C)C1 ZINC000761224812 1127549272 /nfs/dbraw/zinc/54/92/72/1127549272.db2.gz ARCCQGPJPRXIDA-LLVKDONJSA-N 0 1 283.847 3.504 20 0 CHADMN CC(C)CC[C@H](O)CN[C@H](c1ccccc1)c1ccccn1 ZINC000361294505 1127553829 /nfs/dbraw/zinc/55/38/29/1127553829.db2.gz KKINWYIBJRVWON-PKOBYXMFSA-N 0 1 298.430 3.558 20 0 CHADMN C[C@H]1CCN(Cc2cncc(C(F)(F)F)c2)C[C@H](C)C1 ZINC000361325579 1127556737 /nfs/dbraw/zinc/55/67/37/1127556737.db2.gz STZKWRFHAQUYLR-NWDGAFQWSA-N 0 1 286.341 3.968 20 0 CHADMN CCCCc1nc(CN2CC[C@H](C)[C@H]2C)cs1 ZINC000361324949 1127557153 /nfs/dbraw/zinc/55/71/53/1127557153.db2.gz JXGMWLFBVOJPBS-NWDGAFQWSA-N 0 1 252.427 3.716 20 0 CHADMN Fc1cccc2c1OCCN([C@H]1C[C@@H]1c1ccccc1)C2 ZINC000361379374 1127559708 /nfs/dbraw/zinc/55/97/08/1127559708.db2.gz UWNGDICLTDGAJW-WBVHZDCISA-N 0 1 283.346 3.576 20 0 CHADMN C[C@H]1CCCCN(Cc2cncc(C(F)(F)F)c2)C1 ZINC000361382441 1127560038 /nfs/dbraw/zinc/56/00/38/1127560038.db2.gz VROOXLWKRYBKMR-NSHDSACASA-N 0 1 272.314 3.722 20 0 CHADMN FC(F)(F)c1cncc(CN2CCC[C@H](C3CC3)C2)c1 ZINC000361395500 1127560759 /nfs/dbraw/zinc/56/07/59/1127560759.db2.gz ONFXNWDSYFYKDU-ZDUSSCGKSA-N 0 1 284.325 3.722 20 0 CHADMN CCC(C)=CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000294328588 1127565148 /nfs/dbraw/zinc/56/51/48/1127565148.db2.gz HGOQDNGAORATIO-YBHKSSGVSA-N 0 1 285.391 3.733 20 0 CHADMN Cc1ccncc1CN(C)CCSCc1ccccc1 ZINC000361421914 1127562695 /nfs/dbraw/zinc/56/26/95/1127562695.db2.gz JLNLUKGEUGZVQD-UHFFFAOYSA-N 0 1 286.444 3.755 20 0 CHADMN CSCCCSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000361448359 1127563927 /nfs/dbraw/zinc/56/39/27/1127563927.db2.gz DFSSVZLNOVNDQS-VOTSOKGWSA-N 0 1 295.433 3.722 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cnc(C(C)(C)C)s2)n1 ZINC000361600866 1127575314 /nfs/dbraw/zinc/57/53/14/1127575314.db2.gz KLLZELODFGERSH-VIFPVBQESA-N 0 1 294.424 3.537 20 0 CHADMN CC(C)C[C@@H](N)c1noc(/C=C/c2ccc(Cl)cc2)n1 ZINC000361600598 1127575698 /nfs/dbraw/zinc/57/56/98/1127575698.db2.gz JWNWJUFKAZPSEL-OQHXTRMZSA-N 0 1 291.782 3.939 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2coc3ccccc23)n1 ZINC000361603308 1127576118 /nfs/dbraw/zinc/57/61/18/1127576118.db2.gz VWBZSFBYFJYRKO-GFCCVEGCSA-N 0 1 271.320 3.529 20 0 CHADMN CC(C)(C)CN(CCCO)Cc1ccsc1Cl ZINC000361552314 1127572065 /nfs/dbraw/zinc/57/20/65/1127572065.db2.gz KXUSKIQEIIMECW-UHFFFAOYSA-N 0 1 275.845 3.632 20 0 CHADMN CCCC1CCC(CN[C@@H](C)c2nc(C)no2)CC1 ZINC000361611311 1127577476 /nfs/dbraw/zinc/57/74/76/1127577476.db2.gz QDUPKMBUKBQVIY-XGNXJENSSA-N 0 1 265.401 3.635 20 0 CHADMN COCCN(Cc1ncc(C(C)C)s1)[C@@H]1CC[C@@H](C)C1 ZINC000361638296 1127578535 /nfs/dbraw/zinc/57/85/35/1127578535.db2.gz BUFPCKCNPXFKGA-ZIAGYGMSSA-N 0 1 296.480 3.904 20 0 CHADMN Cc1cnccc1CN1CCSC[C@@H]1c1ccccc1 ZINC000294624630 1127587575 /nfs/dbraw/zinc/58/75/75/1127587575.db2.gz ZCUGFOYCMDKCFW-QGZVFWFLSA-N 0 1 284.428 3.680 20 0 CHADMN CSc1ccc(F)cc1CN[C@H](C)c1cncc(F)c1 ZINC000361805287 1127589859 /nfs/dbraw/zinc/58/98/59/1127589859.db2.gz SHVFSMUVTCMXMI-SNVBAGLBSA-N 0 1 294.370 3.933 20 0 CHADMN Cc1ccc([C@H](C)NCc2nc3ccc(C)cc3[nH]2)o1 ZINC000361803557 1127589866 /nfs/dbraw/zinc/58/98/66/1127589866.db2.gz HBBHHUJWRCAFNG-LBPRGKRZSA-N 0 1 269.348 3.624 20 0 CHADMN Cc1nn(C(C)(C)C)c(C)c1CNc1ccc2c(n1)CCC2 ZINC000294713724 1127593947 /nfs/dbraw/zinc/59/39/47/1127593947.db2.gz AIEBHSGHJRJYSY-UHFFFAOYSA-N 0 1 298.434 3.751 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)c1ccccc1F ZINC000170184667 1127594988 /nfs/dbraw/zinc/59/49/88/1127594988.db2.gz HFZIEKJVNSAQND-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)c1cccc(F)c1 ZINC000170213682 1127598112 /nfs/dbraw/zinc/59/81/12/1127598112.db2.gz HAINZQJZLJBXNE-UHFFFAOYSA-N 0 1 283.661 3.576 20 0 CHADMN CC[C@@H]1CCCN1Cc1nnc(-c2ccccc2)s1 ZINC000361919897 1127599238 /nfs/dbraw/zinc/59/92/38/1127599238.db2.gz PJEKMXSWOFOPAA-CYBMUJFWSA-N 0 1 273.405 3.580 20 0 CHADMN FC(F)Cn1cc(CN2CCC[C@H]2c2cccs2)cn1 ZINC000294884673 1127605973 /nfs/dbraw/zinc/60/59/73/1127605973.db2.gz LDTMTBHNCKBLCS-LBPRGKRZSA-N 0 1 297.374 3.547 20 0 CHADMN Cc1sccc1CN1CCCC[C@@H]1c1ccnn1C ZINC000294836954 1127602568 /nfs/dbraw/zinc/60/25/68/1127602568.db2.gz YXXPLSDZSAWDAM-OAHLLOKOSA-N 0 1 275.421 3.517 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)o1 ZINC000294912617 1127607834 /nfs/dbraw/zinc/60/78/34/1127607834.db2.gz FCDHZHVUGRFZOC-ONGXEEELSA-N 0 1 261.287 3.751 20 0 CHADMN COc1ccccc1CN[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000294989728 1127612411 /nfs/dbraw/zinc/61/24/11/1127612411.db2.gz HLUUCYQELYYEIJ-CZUORRHYSA-N 0 1 283.371 3.697 20 0 CHADMN Cc1cccc([C@H](NCc2cnns2)C(C)(C)C)c1 ZINC000294988382 1127612455 /nfs/dbraw/zinc/61/24/55/1127612455.db2.gz MUCKEFYETQBOPF-AWEZNQCLSA-N 0 1 275.421 3.724 20 0 CHADMN Cc1ccccc1[C@@H]1CN(CC2CC(F)(F)C2)[C@@H](C)CO1 ZINC000294964356 1127610863 /nfs/dbraw/zinc/61/08/63/1127610863.db2.gz LFLPWCUMOQPDDD-BBRMVZONSA-N 0 1 295.373 3.802 20 0 CHADMN CCn1cc([C@H](C)NCc2ccc(OCC3CC3)cc2)cn1 ZINC000294965906 1127611050 /nfs/dbraw/zinc/61/10/50/1127611050.db2.gz WZHALDDMDBBNID-AWEZNQCLSA-N 0 1 299.418 3.543 20 0 CHADMN CO[C@@H]1CCN(Cc2cc(Cl)cs2)CC1(C)C ZINC000294990242 1127612714 /nfs/dbraw/zinc/61/27/14/1127612714.db2.gz KPDODKZQAQAEIV-GFCCVEGCSA-N 0 1 273.829 3.648 20 0 CHADMN CO[C@H]1CCN(Cc2ccc(Cl)s2)CC1(C)C ZINC000295092570 1127619645 /nfs/dbraw/zinc/61/96/45/1127619645.db2.gz TYCARUAVDKDRCE-NSHDSACASA-N 0 1 273.829 3.648 20 0 CHADMN CC(C)(C)CN(Cc1nnc2n1CCCC2)CC(C)(C)C ZINC000362241200 1127621975 /nfs/dbraw/zinc/62/19/75/1127621975.db2.gz XDBRRYJOJZWXRB-UHFFFAOYSA-N 0 1 292.471 3.509 20 0 CHADMN CSC1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000602922493 1127622561 /nfs/dbraw/zinc/62/25/61/1127622561.db2.gz WMGPPLBODOTPPQ-SNVBAGLBSA-N 0 1 271.376 3.853 20 0 CHADMN Cc1nc(F)ccc1CN[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000295140821 1127622662 /nfs/dbraw/zinc/62/26/62/1127622662.db2.gz ZODKCRLFUFYTKE-IAQYHMDHSA-N 0 1 286.350 3.531 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CC[C@@H](O)CC(C)(C)C1 ZINC000295198424 1127627121 /nfs/dbraw/zinc/62/71/21/1127627121.db2.gz BNYVYSCAQJSFCS-DGCLKSJQSA-N 0 1 283.362 3.509 20 0 CHADMN CC[C@@]1(C)CCCN([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000362389611 1127632398 /nfs/dbraw/zinc/63/23/98/1127632398.db2.gz BMCLUESCMAIQQH-PBHICJAKSA-N 0 1 274.408 3.526 20 0 CHADMN CC[C@@H](CNCc1ncc(C)s1)Oc1cccc(F)c1 ZINC000295586122 1127647077 /nfs/dbraw/zinc/64/70/77/1127647077.db2.gz DXFMCZJKQYFUNO-ZDUSSCGKSA-N 0 1 294.395 3.538 20 0 CHADMN Clc1cccc([C@H]2CCN(Cc3cnsc3)C2)c1 ZINC001232230126 1127642956 /nfs/dbraw/zinc/64/29/56/1127642956.db2.gz DZJZOHPZERREFM-ZDUSSCGKSA-N 0 1 278.808 3.786 20 0 CHADMN COc1nccc(CN[C@@H](CC2CCC2)c2ccccc2)n1 ZINC000295438887 1127643150 /nfs/dbraw/zinc/64/31/50/1127643150.db2.gz PGJIFJWGNBKLIJ-KRWDZBQOSA-N 0 1 297.402 3.506 20 0 CHADMN Cc1cnc(CNC[C@H](C)Oc2ccccc2Cl)s1 ZINC000295725151 1127651375 /nfs/dbraw/zinc/65/13/75/1127651375.db2.gz NUDAQAOWCOZZOY-JTQLQIEISA-N 0 1 296.823 3.662 20 0 CHADMN CCc1nnc(SCc2c(C)cccc2Cl)[nH]1 ZINC000295779560 1127652733 /nfs/dbraw/zinc/65/27/33/1127652733.db2.gz QQAZNKAYGXTTRI-UHFFFAOYSA-N 0 1 267.785 3.621 20 0 CHADMN CCc1n[nH]c(SCc2c(C)cccc2Cl)n1 ZINC000295779560 1127652737 /nfs/dbraw/zinc/65/27/37/1127652737.db2.gz QQAZNKAYGXTTRI-UHFFFAOYSA-N 0 1 267.785 3.621 20 0 CHADMN Cc1cnc(CNC[C@@H](C)Sc2ccccc2)s1 ZINC000295812930 1127653422 /nfs/dbraw/zinc/65/34/22/1127653422.db2.gz UFKIMEVQJVYECZ-LLVKDONJSA-N 0 1 278.446 3.722 20 0 CHADMN CC/C=C/CN[C@H](C)c1cc(Br)ncc1F ZINC000295836691 1127654861 /nfs/dbraw/zinc/65/48/61/1127654861.db2.gz AFQCOAUQDWJWNQ-XNPJLODASA-N 0 1 287.176 3.600 20 0 CHADMN CC(C)(C)OCCNCc1cc(C(F)(F)F)ccc1F ZINC000603513526 1127655795 /nfs/dbraw/zinc/65/57/95/1127655795.db2.gz HPPWOZCVSJYCJD-UHFFFAOYSA-N 0 1 293.304 3.749 20 0 CHADMN COc1cc(NCc2[nH]nc3ccccc32)c(C)c(OC)c1 ZINC000669685848 1127656563 /nfs/dbraw/zinc/65/65/63/1127656563.db2.gz LWWCZWCGDVFHRK-UHFFFAOYSA-N 0 1 297.358 3.501 20 0 CHADMN CO[C@@H]1CCN([C@H](C)c2nc3ccccc3o2)CC1(C)C ZINC000296171942 1127664591 /nfs/dbraw/zinc/66/45/91/1127664591.db2.gz UYZNVMFKSWCDBC-IUODEOHRSA-N 0 1 288.391 3.636 20 0 CHADMN Cc1cccc(C)c1OC[C@H](C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000296158484 1127664621 /nfs/dbraw/zinc/66/46/21/1127664621.db2.gz XDCBFGIENHJLQU-HRCADAONSA-N 0 1 299.418 3.563 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@@H](C)c1ccccc1C ZINC000296170564 1127664650 /nfs/dbraw/zinc/66/46/50/1127664650.db2.gz XSLVEFRDTOZSKE-UONOGXRCSA-N 0 1 257.381 3.623 20 0 CHADMN CCS[C@@H]1CCCC[N@@H+](Cc2ncccc2Cl)C1 ZINC000599291826 1127666741 /nfs/dbraw/zinc/66/67/41/1127666741.db2.gz RZINZNIJIAWQCL-GFCCVEGCSA-N 0 1 284.856 3.843 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2ncccc2Cl)C1 ZINC000599291826 1127666745 /nfs/dbraw/zinc/66/67/45/1127666745.db2.gz RZINZNIJIAWQCL-GFCCVEGCSA-N 0 1 284.856 3.843 20 0 CHADMN COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2ccc(C)cc2)c1 ZINC000603682881 1127666914 /nfs/dbraw/zinc/66/69/14/1127666914.db2.gz MXJRZBOCRBBUPV-HNNXBMFYSA-N 0 1 297.398 3.975 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H]2C[C@@H](C)Oc3ccccc32)c(C)n1 ZINC000296262030 1127667073 /nfs/dbraw/zinc/66/70/73/1127667073.db2.gz DHBWSKAHNUPUGM-CJBNDPTMSA-N 0 1 297.402 3.656 20 0 CHADMN O[C@@H](CN1CC2(CCC2)[C@H]1c1ccccc1)CC(F)(F)F ZINC000296256346 1127667444 /nfs/dbraw/zinc/66/74/44/1127667444.db2.gz QHYDTMXORQZZOH-ZIAGYGMSSA-N 0 1 299.336 3.527 20 0 CHADMN CC(C)c1nc(CN[C@H]2CC[C@H](C)c3ccccc32)n[nH]1 ZINC000296399788 1127671038 /nfs/dbraw/zinc/67/10/38/1127671038.db2.gz KLNGEZPDJDBZQT-WFASDCNBSA-N 0 1 284.407 3.656 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1cccc(O)c1 ZINC000296469790 1127673375 /nfs/dbraw/zinc/67/33/75/1127673375.db2.gz NRNNAEBMDFMRID-IIYDPXPESA-N 0 1 283.371 3.955 20 0 CHADMN CCC[C@H](C)N(C)Cc1cnc(Br)s1 ZINC000296554523 1127676145 /nfs/dbraw/zinc/67/61/45/1127676145.db2.gz PBCZSHIXKWVXOX-QMMMGPOBSA-N 0 1 277.231 3.526 20 0 CHADMN CCC1(N[C@H](C)c2ncc(Br)cc2F)CC1 ZINC000296591844 1127677567 /nfs/dbraw/zinc/67/75/67/1127677567.db2.gz UZSACSMBRHQZRY-MRVPVSSYSA-N 0 1 287.176 3.576 20 0 CHADMN CC(C)c1nnc(CN2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)o1 ZINC000296810557 1127683231 /nfs/dbraw/zinc/68/32/31/1127683231.db2.gz RKLXBFXOTGSIGX-IJEWVQPXSA-N 0 1 299.418 3.960 20 0 CHADMN Clc1ccc(Cl)c(CN[C@@H]2CCCOC2)c1Cl ZINC000109545434 1127680658 /nfs/dbraw/zinc/68/06/58/1127680658.db2.gz YBTTWMVMXXIYMY-MRVPVSSYSA-N 0 1 294.609 3.915 20 0 CHADMN COC(=O)C1C[C@@H](C)N(Cc2ccccc2Cl)[C@H](C)C1 ZINC000599687974 1127687909 /nfs/dbraw/zinc/68/79/09/1127687909.db2.gz AMDGYUJWYQJQIW-VXGBXAGGSA-N 0 1 295.810 3.502 20 0 CHADMN c1coc(CN(CCc2cccs2)Cc2cccnc2)c1 ZINC000171146925 1127691205 /nfs/dbraw/zinc/69/12/05/1127691205.db2.gz BQDQVNFPBOFRHT-UHFFFAOYSA-N 0 1 298.411 3.981 20 0 CHADMN CCOc1ccccc1NCc1ccc2nc[nH]c2c1 ZINC000604066612 1127693469 /nfs/dbraw/zinc/69/34/69/1127693469.db2.gz VTCDSHRSMRDEPH-UHFFFAOYSA-N 0 1 267.332 3.574 20 0 CHADMN CCO[C@@H]1C[C@H](Nc2ccc3cnccc3c2)[C@@H]1SC ZINC000297339153 1127693917 /nfs/dbraw/zinc/69/39/17/1127693917.db2.gz FACOHWCIQOPCAV-XHSDSOJGSA-N 0 1 288.416 3.556 20 0 CHADMN CN(Cc1cscn1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297410628 1127695633 /nfs/dbraw/zinc/69/56/33/1127695633.db2.gz CVTRXZDAPUKRSN-HZPDHXFCSA-N 0 1 272.417 3.911 20 0 CHADMN CC(C)n1ncnc1C[N@@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297425756 1127695953 /nfs/dbraw/zinc/69/59/53/1127695953.db2.gz FADWEJNIBFKFDM-SJORKVTESA-N 0 1 298.434 3.627 20 0 CHADMN CC(C)n1ncnc1CN(C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297425756 1127695955 /nfs/dbraw/zinc/69/59/55/1127695955.db2.gz FADWEJNIBFKFDM-SJORKVTESA-N 0 1 298.434 3.627 20 0 CHADMN Cc1cc(CN2CCSCC2)cc(C)c1OC(C)C ZINC001238753324 1131240538 /nfs/dbraw/zinc/24/05/38/1131240538.db2.gz KWUBKYKPVKMSCP-UHFFFAOYSA-N 0 1 279.449 3.639 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)c2cn(C)nc2C)cs1 ZINC000297551231 1127699434 /nfs/dbraw/zinc/69/94/34/1127699434.db2.gz FPFPXXABTCHIDZ-GHMZBOCLSA-N 0 1 263.410 3.510 20 0 CHADMN c1csc([C@@H]2CN(c3ccnc4ccccc43)CCO2)c1 ZINC000364425219 1127700260 /nfs/dbraw/zinc/70/02/60/1127700260.db2.gz GRFWHPZYCTVUBM-INIZCTEOSA-N 0 1 296.395 3.874 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2C[C@@H](C)n3ccnc32)cc1C ZINC000297619557 1127701518 /nfs/dbraw/zinc/70/15/18/1127701518.db2.gz IUQGMBQWMCQZPU-IJEWVQPXSA-N 0 1 269.392 3.857 20 0 CHADMN C[C@@H](C(=O)NCc1nc2ccc(Cl)cc2[nH]1)C(C)(C)C ZINC000604331748 1127701584 /nfs/dbraw/zinc/70/15/84/1127701584.db2.gz HVGXFZPUMMZNBA-VIFPVBQESA-N 0 1 293.798 3.515 20 0 CHADMN CC[C@H](NCc1cn2ccc(C)cc2n1)c1ccsc1 ZINC000297666489 1127704004 /nfs/dbraw/zinc/70/40/04/1127704004.db2.gz KVVZRIMCRKFRRQ-HNNXBMFYSA-N 0 1 285.416 3.945 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1nc(Cl)ccc1Cl ZINC000061630425 1127706880 /nfs/dbraw/zinc/70/68/80/1127706880.db2.gz OTBMEFXHZDBQOP-MRVPVSSYSA-N 0 1 259.180 3.619 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000297766088 1127707484 /nfs/dbraw/zinc/70/74/84/1127707484.db2.gz OYQCKRAKRUQQPN-GJZGRUSLSA-N 0 1 271.408 3.932 20 0 CHADMN Cc1nc(F)ccc1CNCc1ccc(Cl)s1 ZINC000785420456 1127709999 /nfs/dbraw/zinc/70/99/99/1127709999.db2.gz VUXLOSOFAMGGTH-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN CC(C)[C@@H]1CCCN1c1ccnc2cc(F)ccc21 ZINC000604758662 1127716269 /nfs/dbraw/zinc/71/62/69/1127716269.db2.gz PVDCDOUOEIHVIU-HNNXBMFYSA-N 0 1 258.340 3.999 20 0 CHADMN CCOC1(C)CCN([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000298210505 1127716418 /nfs/dbraw/zinc/71/64/18/1127716418.db2.gz DMFWEVJYFCPJOU-LBPRGKRZSA-N 0 1 283.362 3.917 20 0 CHADMN Cc1cccc(F)c1CN(C)CCOc1ccccc1 ZINC001232485043 1127723362 /nfs/dbraw/zinc/72/33/62/1127723362.db2.gz PKCPINSUFWHXTA-UHFFFAOYSA-N 0 1 273.351 3.645 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(-c3ccco3)on2)CC1 ZINC000604998927 1127724881 /nfs/dbraw/zinc/72/48/81/1127724881.db2.gz SIMOFSNSTAFCBJ-ZDUSSCGKSA-N 0 1 274.364 3.947 20 0 CHADMN CC[C@H]1CCCN(CC(=O)Nc2cc(C)ccc2C)CC1 ZINC000604999049 1127725145 /nfs/dbraw/zinc/72/51/45/1127725145.db2.gz HLGXXFMJUGFWNR-INIZCTEOSA-N 0 1 288.435 3.754 20 0 CHADMN CC[C@H]1CCCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000604998831 1127725383 /nfs/dbraw/zinc/72/53/83/1127725383.db2.gz GDVBLWCGTXIMJI-LBPRGKRZSA-N 0 1 291.420 3.810 20 0 CHADMN CC[C@H](Cc1ccc(C)cc1)N(C)Cc1coc(C)n1 ZINC000659958981 1127726148 /nfs/dbraw/zinc/72/61/48/1127726148.db2.gz BOOWOJQGPPYUGV-QGZVFWFLSA-N 0 1 272.392 3.745 20 0 CHADMN C[C@H]1CC2(CCC2)CN1Cc1csc(-c2ccccn2)n1 ZINC000365443345 1127729319 /nfs/dbraw/zinc/72/93/19/1127729319.db2.gz OCHQKLCVPILALX-ZDUSSCGKSA-N 0 1 299.443 3.970 20 0 CHADMN c1cc(Oc2ccccc2)oc1CN1CC([C@H]2CCOC2)C1 ZINC000365560366 1127733374 /nfs/dbraw/zinc/73/33/74/1127733374.db2.gz MHOLEEZASXLGAI-AWEZNQCLSA-N 0 1 299.370 3.540 20 0 CHADMN COc1ccc2c(c1)OCC[C@@H]2N[C@@H]1CCCc2occc21 ZINC000365733747 1127737825 /nfs/dbraw/zinc/73/78/25/1127737825.db2.gz IPGSNNMUJUIUEF-CVEARBPZSA-N 0 1 299.370 3.779 20 0 CHADMN CC(C)c1cc(=O)n(-c2ccc(Br)cc2F)[nH]1 ZINC001245916908 1131240931 /nfs/dbraw/zinc/24/09/31/1131240931.db2.gz ASLROTFBIFJHON-UHFFFAOYSA-N 0 1 299.143 3.603 20 0 CHADMN Cc1nccc(CN2C[C@@H]3CCCC[C@@]32c2ccccc2)n1 ZINC000366490090 1127746383 /nfs/dbraw/zinc/74/63/83/1127746383.db2.gz QJHJDEJQVRCTAO-PKOBYXMFSA-N 0 1 293.414 3.686 20 0 CHADMN C[C@@H](O)c1ncc(CN2CCC3(CCCCC3)CC2)s1 ZINC000367308991 1127751800 /nfs/dbraw/zinc/75/18/00/1127751800.db2.gz SDNBDUHJBPKXRI-CYBMUJFWSA-N 0 1 294.464 3.743 20 0 CHADMN Cc1cc([C@H](C)N[C@H]2C[C@H](c3ccccc3C)C2)no1 ZINC000367375433 1127753763 /nfs/dbraw/zinc/75/37/63/1127753763.db2.gz SLOXMLUHNPRIQW-KKUMJFAQSA-N 0 1 270.376 3.888 20 0 CHADMN Fc1ccc(CN2CC[C@H](C3CC3)C2)cc1Br ZINC000400044673 1127760929 /nfs/dbraw/zinc/76/09/29/1127760929.db2.gz RHOMJDQUYPGMHX-LBPRGKRZSA-N 0 1 298.199 3.820 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CCCOC(C)(C)C1 ZINC000606433732 1127761484 /nfs/dbraw/zinc/76/14/84/1127761484.db2.gz CDGDLZBBQZDDQQ-HNNXBMFYSA-N 0 1 283.362 3.917 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1CC(=O)Nc1ccccc1F ZINC000606434220 1127761528 /nfs/dbraw/zinc/76/15/28/1127761528.db2.gz QKOWAZQBSLGQOC-XJKSGUPXSA-N 0 1 292.398 3.665 20 0 CHADMN C[C@@H]1CC[C@@]2(CCN(Cc3nnc(-c4ccccc4)o3)C2)C1 ZINC000371619188 1127772669 /nfs/dbraw/zinc/77/26/69/1127772669.db2.gz PAKYNUPAAVRWEI-RDTXWAMCSA-N 0 1 297.402 3.749 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cc3ncc(C4CC4)o3)C2)cc1 ZINC000371755529 1127778145 /nfs/dbraw/zinc/77/81/45/1127778145.db2.gz YOFVIRVALLZITD-MRXNPFEDSA-N 0 1 282.387 3.850 20 0 CHADMN CC(C)(C)OCCN1CCc2c(Cl)cccc2C1 ZINC000606896943 1127781503 /nfs/dbraw/zinc/78/15/03/1127781503.db2.gz NJWYWBKIEDRQCD-UHFFFAOYSA-N 0 1 267.800 3.513 20 0 CHADMN C[C@@H]1C[C@H](C)N(Cc2cc(Br)ccc2F)C1 ZINC000607154817 1127789284 /nfs/dbraw/zinc/78/92/84/1127789284.db2.gz DBGLYCOFMXIBDP-ZJUUUORDSA-N 0 1 286.188 3.819 20 0 CHADMN CN(C)c1ccccc1CNCc1ccc(Cl)c(F)c1 ZINC000607287324 1127799016 /nfs/dbraw/zinc/79/90/16/1127799016.db2.gz CHOLZHINLMXBGJ-UHFFFAOYSA-N 0 1 292.785 3.835 20 0 CHADMN c1coc(CN2CCS[C@H](c3ccccc3)C2)c1 ZINC000372399355 1127798654 /nfs/dbraw/zinc/79/86/54/1127798654.db2.gz IGGSMEBFWRKSJY-HNNXBMFYSA-N 0 1 259.374 3.570 20 0 CHADMN CC(C)(C)c1n[nH]c(SCCC2CCCC2)n1 ZINC000607437504 1127805588 /nfs/dbraw/zinc/80/55/88/1127805588.db2.gz HNWRIXLXKPFXRU-UHFFFAOYSA-N 0 1 253.415 3.775 20 0 CHADMN CC(C)(C)c1nc(SCCC2CCCC2)n[nH]1 ZINC000607437504 1127805589 /nfs/dbraw/zinc/80/55/89/1127805589.db2.gz HNWRIXLXKPFXRU-UHFFFAOYSA-N 0 1 253.415 3.775 20 0 CHADMN Fc1ccc(Cl)c(CN2CCC(c3cn[nH]c3)CC2)c1 ZINC000372600771 1127807213 /nfs/dbraw/zinc/80/72/13/1127807213.db2.gz PMYIPPLAALUQGC-UHFFFAOYSA-N 0 1 293.773 3.582 20 0 CHADMN CC(C)(C)CN(CCO)Cc1cc(Cl)ccc1Cl ZINC000607730982 1127821470 /nfs/dbraw/zinc/82/14/70/1127821470.db2.gz JODXUVGEXXJCJY-UHFFFAOYSA-N 0 1 290.234 3.834 20 0 CHADMN C[C@@H]1CCC[C@@H](C)N(Cc2ncc(C(C)(C)C)o2)C1 ZINC000607742811 1127822297 /nfs/dbraw/zinc/82/22/97/1127822297.db2.gz PLQILJODORURJM-CHWSQXEVSA-N 0 1 264.413 3.983 20 0 CHADMN C[C@@H]1CN(Cn2cc[nH]c2=S)CC[C@@H]1c1ccccc1 ZINC000173365185 1127823843 /nfs/dbraw/zinc/82/38/43/1127823843.db2.gz KPFRFBYPRRRZLO-HIFRSBDPSA-N 0 1 287.432 3.629 20 0 CHADMN S=c1[nH]ccn1CN1CCCC2(C1)CCCCCC2 ZINC000173412794 1127828943 /nfs/dbraw/zinc/82/89/43/1127828943.db2.gz BPZUVFHCAQIDBP-UHFFFAOYSA-N 0 1 279.453 3.940 20 0 CHADMN Cc1c(CN2CCCCC23CC3)ccnc1Cl ZINC001232757525 1127837403 /nfs/dbraw/zinc/83/74/03/1127837403.db2.gz OXMITGSLOKFWJL-UHFFFAOYSA-N 0 1 250.773 3.562 20 0 CHADMN C[C@H](c1nc2ccccc2s1)N(C)CCC1(O)CCC1 ZINC000411116115 1127840065 /nfs/dbraw/zinc/84/00/65/1127840065.db2.gz NDYGVYORGCRZFG-GFCCVEGCSA-N 0 1 290.432 3.594 20 0 CHADMN Cc1nc([C@H](C)N(C)Cc2cccc(Cl)c2Cl)n[nH]1 ZINC000411128981 1127841867 /nfs/dbraw/zinc/84/18/67/1127841867.db2.gz SGDALEMPYSMOAQ-QMMMGPOBSA-N 0 1 299.205 3.613 20 0 CHADMN CCCCc1noc([C@@H](C)N(CCC)CCC)n1 ZINC000411160508 1127844540 /nfs/dbraw/zinc/84/45/40/1127844540.db2.gz ADQSLUBXQAAFSG-GFCCVEGCSA-N 0 1 253.390 3.595 20 0 CHADMN CC[C@H](C)CC(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000373617076 1127852911 /nfs/dbraw/zinc/85/29/11/1127852911.db2.gz ZBCYPXPHNWNYDQ-LBPRGKRZSA-N 0 1 272.392 3.539 20 0 CHADMN Cc1ccccc1[C@@H](C)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000373689747 1127857248 /nfs/dbraw/zinc/85/72/48/1127857248.db2.gz KJQKEZJYELSUKH-PBHICJAKSA-N 0 1 292.386 3.553 20 0 CHADMN CCCN(CCc1cccs1)[C@@H](C)c1nnc(CC)o1 ZINC000411558733 1127866091 /nfs/dbraw/zinc/86/60/91/1127866091.db2.gz WPIFPRMOAYDHEO-LBPRGKRZSA-N 0 1 293.436 3.709 20 0 CHADMN Cc1nnc([C@H](C)N2CCCC3(CCCCC3)CC2)[nH]1 ZINC000411624810 1127867570 /nfs/dbraw/zinc/86/75/70/1127867570.db2.gz YUZJDBANEGYGTN-ZDUSSCGKSA-N 0 1 276.428 3.611 20 0 CHADMN CC(C)c1ncc(CN(C)[C@@H]2C[C@H]2c2cccc(F)c2)cn1 ZINC000411671610 1127869069 /nfs/dbraw/zinc/86/90/69/1127869069.db2.gz HVZLCJMEQVYXOE-DLBZAZTESA-N 0 1 299.393 3.727 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@H](c3ccco3)C2)n1 ZINC000374003662 1127869405 /nfs/dbraw/zinc/86/94/05/1127869405.db2.gz RPFCBTFPIMRCAE-STQMWFEESA-N 0 1 289.379 3.556 20 0 CHADMN Clc1cc(CN2C3CCCC2CCC3)cc2c1OCO2 ZINC000608499451 1127871171 /nfs/dbraw/zinc/87/11/71/1127871171.db2.gz KPJXSHDVDJFVKD-UHFFFAOYSA-N 0 1 293.794 3.976 20 0 CHADMN Fc1ccc(F)c(CN2C3CCCC2CCC3)c1 ZINC000608499705 1127871333 /nfs/dbraw/zinc/87/13/33/1127871333.db2.gz WGRUSOMYQPTZBQ-UHFFFAOYSA-N 0 1 251.320 3.872 20 0 CHADMN C[C@H]1CCC(C)(C)N1Cc1ccc(Br)cn1 ZINC000411811067 1127875150 /nfs/dbraw/zinc/87/51/50/1127875150.db2.gz SIOFRQBCNDHVRW-JTQLQIEISA-N 0 1 283.213 3.607 20 0 CHADMN CC(C)O[C@@H](CN[C@@H](C)c1nccs1)c1ccccc1 ZINC000411883010 1127877858 /nfs/dbraw/zinc/87/78/58/1127877858.db2.gz MWVXKZUCCVMOME-ZFWWWQNUSA-N 0 1 290.432 3.960 20 0 CHADMN FC1(c2ccc(Cl)cc2)CCN(Cc2cnc[nH]2)CC1 ZINC000374218001 1127878821 /nfs/dbraw/zinc/87/88/21/1127878821.db2.gz QSWKYDIKUGOZNA-UHFFFAOYSA-N 0 1 293.773 3.524 20 0 CHADMN CO[C@@](C)([C@@H](C)NCc1csc(C(C)C)n1)C1CC1 ZINC000411961270 1127881380 /nfs/dbraw/zinc/88/13/80/1127881380.db2.gz ZSLDANKIYJLPAQ-ABAIWWIYSA-N 0 1 282.453 3.560 20 0 CHADMN C[C@H](c1csnn1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411975685 1127882173 /nfs/dbraw/zinc/88/21/73/1127882173.db2.gz BYHUTEOVZGAATE-HIFRSBDPSA-N 0 1 299.443 3.869 20 0 CHADMN C[C@@H]1CCc2ccccc2N1C(=O)c1cccc2c[nH]nc21 ZINC000608761026 1127886936 /nfs/dbraw/zinc/88/69/36/1127886936.db2.gz GYVDHPXASYJRHI-GFCCVEGCSA-N 0 1 291.354 3.544 20 0 CHADMN CC[C@H](CC(C)C)c1nc(C2(N)CCCCC2)no1 ZINC000308045131 1127887440 /nfs/dbraw/zinc/88/74/40/1127887440.db2.gz FQTKMQYXQXZOQO-GFCCVEGCSA-N 0 1 265.401 3.727 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC(C)(C)C[C@@H]2C)c(F)c1 ZINC000412036865 1127890449 /nfs/dbraw/zinc/89/04/49/1127890449.db2.gz HGEXCLSQNYDHHH-STQMWFEESA-N 0 1 292.398 3.582 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)N2CC(C)(C)C[C@@H]2C)c(F)c1 ZINC000412036865 1127890453 /nfs/dbraw/zinc/89/04/53/1127890453.db2.gz HGEXCLSQNYDHHH-STQMWFEESA-N 0 1 292.398 3.582 20 0 CHADMN CC[C@@H]1CCC[C@H]1NCc1nc(CCc2ccccc2)no1 ZINC000429792797 1127904515 /nfs/dbraw/zinc/90/45/15/1127904515.db2.gz UZHQNURABBEJDT-HZPDHXFCSA-N 0 1 299.418 3.523 20 0 CHADMN C[C@H](c1ccccc1)N1CC=C(C(F)(F)F)CC1 ZINC000535282025 1127911261 /nfs/dbraw/zinc/91/12/61/1127911261.db2.gz WJYYFGHNXIBRKR-LLVKDONJSA-N 0 1 255.283 3.942 20 0 CHADMN CC[C@H](C)CN(CC)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000535375651 1127914423 /nfs/dbraw/zinc/91/44/23/1127914423.db2.gz SWGSHEAXMODWGB-ZDUSSCGKSA-N 0 1 291.439 3.966 20 0 CHADMN Fc1cc(Br)ccc1CN1CC[C@@H](C2CC2)C1 ZINC000400038709 1127915638 /nfs/dbraw/zinc/91/56/38/1127915638.db2.gz MZFMTCQGMBUBDW-LLVKDONJSA-N 0 1 298.199 3.820 20 0 CHADMN CCc1cc(OC)ccc1CN1Cc2ccccc2C1 ZINC000503932627 1127919877 /nfs/dbraw/zinc/91/98/77/1127919877.db2.gz ZOJVUCYESDTYNQ-UHFFFAOYSA-N 0 1 267.372 3.773 20 0 CHADMN CCC(CC)[C@H](C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000535589204 1127920576 /nfs/dbraw/zinc/92/05/76/1127920576.db2.gz DEFPBFVWOJWUES-JSGCOSHPSA-N 0 1 296.480 3.539 20 0 CHADMN C[C@@H]1CCCC[C@H]1OCCN1CCc2ccsc2C1 ZINC000535575526 1127920736 /nfs/dbraw/zinc/92/07/36/1127920736.db2.gz HMNGRZWPQUNTDS-UKRRQHHQSA-N 0 1 279.449 3.702 20 0 CHADMN CCCCC[C@@H](CC)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000375006976 1127924641 /nfs/dbraw/zinc/92/46/41/1127924641.db2.gz ZNQLVTFAJZOYKV-CQSZACIVSA-N 0 1 291.439 3.722 20 0 CHADMN C[C@H]1CC(C)(C)CN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000412773980 1127925217 /nfs/dbraw/zinc/92/52/17/1127925217.db2.gz CMMXVLYDNAMHLL-LBPRGKRZSA-N 0 1 289.423 3.718 20 0 CHADMN CCN(C(=O)c1cnc(-c2ccccc2)[nH]1)C1CC(C)(C)C1 ZINC000412813433 1127929157 /nfs/dbraw/zinc/92/91/57/1127929157.db2.gz OTZAFWMRBUJRSR-UHFFFAOYSA-N 0 1 297.402 3.727 20 0 CHADMN C[C@H](NCc1cnc(C2CC2)s1)c1ccsc1 ZINC000669830985 1127930197 /nfs/dbraw/zinc/93/01/97/1127930197.db2.gz HHYDBDPKJAMZQS-VIFPVBQESA-N 0 1 264.419 3.933 20 0 CHADMN Cc1nc([C@@H](C)Sc2cc(Cl)ccc2F)n[nH]1 ZINC000413002630 1127937997 /nfs/dbraw/zinc/93/79/97/1127937997.db2.gz OIDGLNKBEKYLDK-ZCFIWIBFSA-N 0 1 271.748 3.759 20 0 CHADMN CC[C@@H](N[C@H](CO)c1ccccc1C)c1ccccc1F ZINC000539812864 1127941566 /nfs/dbraw/zinc/94/15/66/1127941566.db2.gz WKXKSDHDCFQCJR-QZTJIDSGSA-N 0 1 287.378 3.908 20 0 CHADMN C[C@H]1CN(Cc2cccc3c2OCCO3)[C@@H]1c1ccccc1 ZINC000539820634 1127942798 /nfs/dbraw/zinc/94/27/98/1127942798.db2.gz OKVYFFVKXDHRFB-KSSFIOAISA-N 0 1 295.382 3.651 20 0 CHADMN Fc1ccccc1C1CCN(Cc2cncs2)CC1 ZINC000539826737 1127944190 /nfs/dbraw/zinc/94/41/90/1127944190.db2.gz VPRMGIHCJFPNNI-UHFFFAOYSA-N 0 1 276.380 3.662 20 0 CHADMN Cc1ccc(CN2CCC23CCC3)c(Br)c1 ZINC000539834448 1127946306 /nfs/dbraw/zinc/94/63/06/1127946306.db2.gz COOBTNNOCCTXNJ-UHFFFAOYSA-N 0 1 280.209 3.886 20 0 CHADMN C[C@@H](CCc1ccc(C(F)(F)F)cc1)NCc1cocn1 ZINC000669848758 1127948457 /nfs/dbraw/zinc/94/84/57/1127948457.db2.gz QHLKHCUIBMRBDL-NSHDSACASA-N 0 1 298.308 3.804 20 0 CHADMN Cc1cccn2c(CN3CC=C(C(C)(C)C)CC3)cnc12 ZINC000539895080 1127952622 /nfs/dbraw/zinc/95/26/22/1127952622.db2.gz IMJLRBVLXVHONN-UHFFFAOYSA-N 0 1 283.419 3.821 20 0 CHADMN CCOC(=O)c1ccc(CN2CC=C(C(C)(C)C)CC2)o1 ZINC000539895810 1127952670 /nfs/dbraw/zinc/95/26/70/1127952670.db2.gz XMPIOUFDMMYADR-UHFFFAOYSA-N 0 1 291.391 3.635 20 0 CHADMN CN(CCOCc1ccccc1)Cc1cc(F)cc(F)c1 ZINC000539908017 1127953471 /nfs/dbraw/zinc/95/34/71/1127953471.db2.gz ALFVMEZPXVNNRR-UHFFFAOYSA-N 0 1 291.341 3.613 20 0 CHADMN CC(C)[C@@H]1CCN(Cc2cc(F)c(F)c(F)c2)C1 ZINC000539910952 1127954510 /nfs/dbraw/zinc/95/45/10/1127954510.db2.gz JGBKEIDABDUIGY-LLVKDONJSA-N 0 1 257.299 3.582 20 0 CHADMN CC(C)n1ccc(Nc2ccccc2N2CCN(C)CC2)c1 ZINC001203164877 1127955756 /nfs/dbraw/zinc/95/57/56/1127955756.db2.gz ITOXJHYIEBGQBR-UHFFFAOYSA-N 0 1 298.434 3.564 20 0 CHADMN CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000380283978 1127956800 /nfs/dbraw/zinc/95/68/00/1127956800.db2.gz QTIIQPGJHJWJJK-VXGBXAGGSA-N 0 1 279.355 3.534 20 0 CHADMN CN(CCc1cccc(F)c1F)Cc1ccccc1F ZINC000544069159 1127957531 /nfs/dbraw/zinc/95/75/31/1127957531.db2.gz JHKOGPCBOUCNBA-UHFFFAOYSA-N 0 1 279.305 3.778 20 0 CHADMN CCC[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000467182078 1127957856 /nfs/dbraw/zinc/95/78/56/1127957856.db2.gz RFLKSHORYXRNEM-CQSZACIVSA-N 0 1 297.402 3.729 20 0 CHADMN O=C(C[C@@H]1CC=CCC1)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001288564973 1127960966 /nfs/dbraw/zinc/96/09/66/1127960966.db2.gz ICUXOTPDPARXRL-SNVBAGLBSA-N 0 1 289.766 3.901 20 0 CHADMN CC(C)(C)[C@H]1CCN(Cc2nc(-c3cccs3)no2)C1 ZINC000544188303 1127963276 /nfs/dbraw/zinc/96/32/76/1127963276.db2.gz XEOPGRKBICAPHQ-NSHDSACASA-N 0 1 291.420 3.666 20 0 CHADMN CCCCN(CCO)Cc1c(Cl)oc2ccccc21 ZINC000505902540 1127964683 /nfs/dbraw/zinc/96/46/83/1127964683.db2.gz HFLAGKMHWXFXNM-UHFFFAOYSA-N 0 1 281.783 3.681 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H](CO)c2cccc(F)c2)cc1 ZINC000540186595 1127967999 /nfs/dbraw/zinc/96/79/99/1127967999.db2.gz ZUKKTNVQJQWZOK-FZKQIMNGSA-N 0 1 287.378 3.772 20 0 CHADMN C[C@H](N[C@@H](CO)c1cccc(F)c1)c1cccc(Cl)c1 ZINC000540183352 1127968100 /nfs/dbraw/zinc/96/81/00/1127968100.db2.gz RFFLWVTWUAVZFR-ZBEGNZNMSA-N 0 1 293.769 3.863 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N[C@@H](CO)c2cccc(F)c2)c1 ZINC000540184907 1127968458 /nfs/dbraw/zinc/96/84/58/1127968458.db2.gz WDOGBRORSAZICU-KDOFPFPSSA-N 0 1 287.378 3.827 20 0 CHADMN Cc1cc(CN2CCOC[C@H]2CC(C)C)cc2cccnc12 ZINC000544351170 1127969785 /nfs/dbraw/zinc/96/97/85/1127969785.db2.gz OSNOUWRPJFODQD-GOSISDBHSA-N 0 1 298.430 3.790 20 0 CHADMN CC(C)c1ncc(-c2nc3ccc(F)cc3[nH]2)s1 ZINC000467534695 1127972832 /nfs/dbraw/zinc/97/28/32/1127972832.db2.gz AXISOSWJAVTEDO-UHFFFAOYSA-N 0 1 261.325 3.949 20 0 CHADMN CC[C@@H](N[C@@H]1CCCc2ccccc21)c1ccn(C)n1 ZINC000544579015 1127977128 /nfs/dbraw/zinc/97/71/28/1127977128.db2.gz KKFNCGSLYVXFPC-HZPDHXFCSA-N 0 1 269.392 3.538 20 0 CHADMN Cc1ccc(Cl)cc1[C@@H](C)Oc1n[nH]c(=O)cc1Cl ZINC001233587414 1127992575 /nfs/dbraw/zinc/99/25/75/1127992575.db2.gz QYXHDUIFNJJGDE-MRVPVSSYSA-N 0 1 299.157 3.937 20 0 CHADMN CC[C@]1(C)CCN([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000468122208 1127992751 /nfs/dbraw/zinc/99/27/51/1127992751.db2.gz WZEYZNNQTPJXMM-KBXCAEBGSA-N 0 1 299.418 3.843 20 0 CHADMN CC[C@@]1(C)CCN([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000468108678 1127992829 /nfs/dbraw/zinc/99/28/29/1127992829.db2.gz FYJNGFUBHZGCJI-DYVFJYSZSA-N 0 1 285.391 3.920 20 0 CHADMN CC[C@@]1(C)CCN([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000468135069 1127993480 /nfs/dbraw/zinc/99/34/80/1127993480.db2.gz XTZBGYQDBFWHHP-NHYWBVRUSA-N 0 1 291.420 3.981 20 0 CHADMN COC/C(C)=C/C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000929633335 1127994352 /nfs/dbraw/zinc/99/43/52/1127994352.db2.gz VILYJIGVRKKMLL-NYUWMOHMSA-N 0 1 281.346 3.694 20 0 CHADMN COC/C(C)=C/CN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000929633335 1127994355 /nfs/dbraw/zinc/99/43/55/1127994355.db2.gz VILYJIGVRKKMLL-NYUWMOHMSA-N 0 1 281.346 3.694 20 0 CHADMN CCN(C)c1ccccc1CN[C@H](C)c1cnc(C)s1 ZINC000761441254 1127995437 /nfs/dbraw/zinc/99/54/37/1127995437.db2.gz WOELPSNFYJEFSM-GFCCVEGCSA-N 0 1 289.448 3.758 20 0 CHADMN C[C@H](c1cccs1)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000507444141 1127997546 /nfs/dbraw/zinc/99/75/46/1127997546.db2.gz VYMADPGHXSTZET-BLVKFPJESA-N 0 1 293.457 3.679 20 0 CHADMN CCC1CCC(NC2(c3cccc(F)c3)COC2)CC1 ZINC001256866904 1128001377 /nfs/dbraw/zinc/00/13/77/1128001377.db2.gz NOSMYTOOGZRTBH-UHFFFAOYSA-N 0 1 277.383 3.610 20 0 CHADMN CC(=O)[C@@H]1CCCN1Cc1cc(C)c(OC(C)C)c(C)c1 ZINC001238756303 1131241779 /nfs/dbraw/zinc/24/17/79/1131241779.db2.gz RVUHAHUCWPNJKC-KRWDZBQOSA-N 0 1 289.419 3.644 20 0 CHADMN Cc1cc(CN(C)Cc2cccc(O)c2)ccc1Cl ZINC000540952836 1128003645 /nfs/dbraw/zinc/00/36/45/1128003645.db2.gz OZIOLYJEAIQDEA-UHFFFAOYSA-N 0 1 275.779 3.986 20 0 CHADMN Cc1cc(N[C@H]2CCOC2)c2cc(Cl)cc(C)c2n1 ZINC000468744701 1128018255 /nfs/dbraw/zinc/01/82/55/1128018255.db2.gz ODBGMKZMCNHXFA-LBPRGKRZSA-N 0 1 276.767 3.706 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)N(C)CCc1ccccc1O ZINC000541392830 1128021736 /nfs/dbraw/zinc/02/17/36/1128021736.db2.gz KSHCXRBZFRHQAG-ZDUSSCGKSA-N 0 1 296.370 3.769 20 0 CHADMN CN(CCc1ccccc1O)Cc1cccc(Cl)c1F ZINC000541551927 1128027339 /nfs/dbraw/zinc/02/73/39/1128027339.db2.gz XDANTOBIRIBLOZ-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN CC[C@@H]1CCC[C@@H](CN(C)Cc2cscn2)C1 ZINC000541536455 1128026429 /nfs/dbraw/zinc/02/64/29/1128026429.db2.gz VGNJZHLVVKMEBR-CHWSQXEVSA-N 0 1 252.427 3.791 20 0 CHADMN CCc1cnc(CN2CC[C@@H](Cc3ccccc3)C2)s1 ZINC000541534174 1128026524 /nfs/dbraw/zinc/02/65/24/1128026524.db2.gz MILARIYIAPMXCW-HNNXBMFYSA-N 0 1 286.444 3.770 20 0 CHADMN Cc1ccc(-c2nc(-c3cc4nc[nH]c4c(C)c3)no2)cc1 ZINC000545726492 1128030565 /nfs/dbraw/zinc/03/05/65/1128030565.db2.gz UANQHNBDIRVEEW-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000541619446 1128031964 /nfs/dbraw/zinc/03/19/64/1128031964.db2.gz UBMNFVMJEGAUFY-DIOULYMOSA-N 0 1 297.389 3.755 20 0 CHADMN C[C@H](CCC(C)(C)C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000541695744 1128033992 /nfs/dbraw/zinc/03/39/92/1128033992.db2.gz QWPFMGABCYSCMU-LLVKDONJSA-N 0 1 273.380 3.964 20 0 CHADMN C[C@H](CC1CCCCC1)CN(C)Cc1ccon1 ZINC000541773380 1128038579 /nfs/dbraw/zinc/03/85/79/1128038579.db2.gz AVIMAFMOOJHPDR-CYBMUJFWSA-N 0 1 250.386 3.713 20 0 CHADMN CCc1ccc(-c2noc(CN3CCC(C)CC3)n2)cc1 ZINC000302740938 1128040203 /nfs/dbraw/zinc/04/02/03/1128040203.db2.gz KRIUGYREQMAUGL-UHFFFAOYSA-N 0 1 285.391 3.531 20 0 CHADMN CCN(Cc1ccccc1)Cc1cccc(F)c1F ZINC000302837622 1128041948 /nfs/dbraw/zinc/04/19/48/1128041948.db2.gz NKCJKZLCVWFOBX-UHFFFAOYSA-N 0 1 261.315 3.987 20 0 CHADMN CC(C)(CF)NCc1ccc(Br)c(Cl)c1 ZINC000308997555 1128043771 /nfs/dbraw/zinc/04/37/71/1128043771.db2.gz MZJFFIJJPJWGNQ-UHFFFAOYSA-N 0 1 294.595 3.940 20 0 CHADMN C[C@H]1CC[C@]2(CC[N@@H+](Cc3nc4cc(F)ccc4o3)C2)C1 ZINC000541955022 1128044605 /nfs/dbraw/zinc/04/46/05/1128044605.db2.gz SVVMJAWNCFMSHW-SJCJKPOMSA-N 0 1 288.366 3.979 20 0 CHADMN O[C@H](CC1CCCC1)CN1CC[C@H]1c1cccc(F)c1 ZINC000682714777 1128054245 /nfs/dbraw/zinc/05/42/45/1128054245.db2.gz KWKLWDVJTVVMIR-SJORKVTESA-N 0 1 277.383 3.514 20 0 CHADMN Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000232750954 1128050824 /nfs/dbraw/zinc/05/08/24/1128050824.db2.gz RVGWLFYGYSTIOI-INIZCTEOSA-N 0 1 295.810 3.581 20 0 CHADMN C[C@@H]1CN(Cc2cnc(-c3ccccc3)o2)C[C@@H](C)S1 ZINC000929725881 1128057282 /nfs/dbraw/zinc/05/72/82/1128057282.db2.gz MTZLYFBACYNILF-CHWSQXEVSA-N 0 1 288.416 3.667 20 0 CHADMN C[C@H]1CN(Cc2cc(-c3ccco3)on2)CC(C)(C)C1 ZINC000542244241 1128058651 /nfs/dbraw/zinc/05/86/51/1128058651.db2.gz OXKSBBDBMVVAJT-GFCCVEGCSA-N 0 1 274.364 3.803 20 0 CHADMN C[N@@H+](CCc1ccccc1O)Cc1ccccc1Cl ZINC000542321121 1128063863 /nfs/dbraw/zinc/06/38/63/1128063863.db2.gz KEKHJQDQTZLSRR-UHFFFAOYSA-N 0 1 275.779 3.720 20 0 CHADMN CN(CCc1ccccc1O)Cc1ccccc1Cl ZINC000542321121 1128063868 /nfs/dbraw/zinc/06/38/68/1128063868.db2.gz KEKHJQDQTZLSRR-UHFFFAOYSA-N 0 1 275.779 3.720 20 0 CHADMN Cc1ccc(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)c(C)c1 ZINC000470327035 1128068376 /nfs/dbraw/zinc/06/83/76/1128068376.db2.gz HJTIALCASRXCSR-UHFFFAOYSA-N 0 1 299.418 3.596 20 0 CHADMN CC[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000303516136 1128070089 /nfs/dbraw/zinc/07/00/89/1128070089.db2.gz XYZJQFRSCUDQCX-NWDGAFQWSA-N 0 1 282.815 3.645 20 0 CHADMN CC(C)c1ccc(C[N@H+]2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000232764215 1128073428 /nfs/dbraw/zinc/07/34/28/1128073428.db2.gz MMKHJHFVAKKLBS-SFHVURJKSA-N 0 1 289.419 3.743 20 0 CHADMN Cc1nc(C)c(CN(C)CCOc2ccccc2C)s1 ZINC000172739102 1128074674 /nfs/dbraw/zinc/07/46/74/1128074674.db2.gz ZLBIZDKGOVDSRP-UHFFFAOYSA-N 0 1 290.432 3.579 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2ccccc2C(C)(C)C)[nH]1 ZINC000913740994 1128077880 /nfs/dbraw/zinc/07/78/80/1128077880.db2.gz FFFPJEYEJGGUAR-UHFFFAOYSA-N 0 1 271.364 3.576 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCN1CCC(=O)c1ccccc1 ZINC000470939247 1128082221 /nfs/dbraw/zinc/08/22/21/1128082221.db2.gz DBJQQJARFQKJRF-WCQYABFASA-N 0 1 285.309 3.532 20 0 CHADMN CCOc1ccccc1CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470945737 1128082325 /nfs/dbraw/zinc/08/23/25/1128082325.db2.gz JZPZSVXTDPNWIU-YPMHNXCESA-N 0 1 287.325 3.858 20 0 CHADMN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(F)cc1 ZINC000470941460 1128082984 /nfs/dbraw/zinc/08/29/84/1128082984.db2.gz WDXLVBFBXQEYQC-JOYOIKCWSA-N 0 1 261.262 3.598 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)N1CCC[C@H](CO)C1 ZINC000305210680 1128095503 /nfs/dbraw/zinc/09/55/03/1128095503.db2.gz OWOOOMGWWWEGBD-MNOVXSKESA-N 0 1 288.218 3.759 20 0 CHADMN Fc1ccc(CN[C@@H]2CCc3c2nccc3Cl)cc1 ZINC000924524677 1128101050 /nfs/dbraw/zinc/10/10/50/1128101050.db2.gz IJKQWZFLVYMRCA-CQSZACIVSA-N 0 1 276.742 3.651 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1C[C@H](C)CC[C@@H]1C ZINC000174470584 1128102468 /nfs/dbraw/zinc/10/24/68/1128102468.db2.gz SDXZHXYDDIYHTR-CABCVRRESA-N 0 1 288.435 3.869 20 0 CHADMN COCCN[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000924537444 1128102873 /nfs/dbraw/zinc/10/28/73/1128102873.db2.gz IKGKTMYTNQKDFZ-SFHVURJKSA-N 0 1 284.403 3.530 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccccc1)c1cccc(OC)n1 ZINC000924543175 1128103503 /nfs/dbraw/zinc/10/35/03/1128103503.db2.gz QEXYYYHPZAEHRW-DZGCQCFKSA-N 0 1 270.376 3.892 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ccnn2CC2CCC2)c1 ZINC000924564673 1128105291 /nfs/dbraw/zinc/10/52/91/1128105291.db2.gz POSYVBITBWTQEC-AWEZNQCLSA-N 0 1 299.418 3.543 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccnn2CC2CCC2)c1 ZINC000924564675 1128105350 /nfs/dbraw/zinc/10/53/50/1128105350.db2.gz POSYVBITBWTQEC-CQSZACIVSA-N 0 1 299.418 3.543 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn(C)cn1)c1ccc2c(c1)CCCC2 ZINC000924571960 1128105607 /nfs/dbraw/zinc/10/56/07/1128105607.db2.gz JRYUKEUGCHJVTM-KGLIPLIRSA-N 0 1 283.419 3.711 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2occc21)c1cnn(C2CCC2)c1 ZINC000924642116 1128108945 /nfs/dbraw/zinc/10/89/45/1128108945.db2.gz APSHZQOJXAKODC-MLGOLLRUSA-N 0 1 285.391 3.929 20 0 CHADMN C[C@H](NCc1ccsc1)c1cnn(C2CCC2)c1 ZINC000924664898 1128109074 /nfs/dbraw/zinc/10/90/74/1128109074.db2.gz HAPLQVYXKLNYHL-NSHDSACASA-N 0 1 261.394 3.520 20 0 CHADMN CCOCCN[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000924697673 1128110128 /nfs/dbraw/zinc/11/01/28/1128110128.db2.gz KLSSUBYMYTUCSN-LJQANCHMSA-N 0 1 298.430 3.921 20 0 CHADMN C[C@H](NCCc1csc2ccccc12)c1ncco1 ZINC000924842102 1128114800 /nfs/dbraw/zinc/11/48/00/1128114800.db2.gz PMNGSDLSACVDIM-NSHDSACASA-N 0 1 272.373 3.783 20 0 CHADMN Cc1cccc(C(C)(C)CN[C@H](C)c2ncco2)c1 ZINC000924856130 1128115509 /nfs/dbraw/zinc/11/55/09/1128115509.db2.gz NESSSCDZRLSBJQ-CYBMUJFWSA-N 0 1 258.365 3.611 20 0 CHADMN Cc1nc(CNC2CC3(C2)CCCC3)nc2ccccc12 ZINC000924904707 1128117010 /nfs/dbraw/zinc/11/70/10/1128117010.db2.gz BWODRBSDYLWGEA-UHFFFAOYSA-N 0 1 281.403 3.751 20 0 CHADMN FCc1ccc(CN2CCc3sccc3C2)cc1 ZINC000777543556 1128119257 /nfs/dbraw/zinc/11/92/57/1128119257.db2.gz DUVLNDOOWLZFBK-UHFFFAOYSA-N 0 1 261.365 3.776 20 0 CHADMN CCc1cc(CN[C@@H](C)c2coc3ccccc23)[nH]n1 ZINC000925057298 1128120207 /nfs/dbraw/zinc/12/02/07/1128120207.db2.gz FCIXBQIUHHJFGS-NSHDSACASA-N 0 1 269.348 3.569 20 0 CHADMN COc1ccccc1C[C@H](N[C@H](C)c1ncco1)C(C)C ZINC000925214155 1128125758 /nfs/dbraw/zinc/12/57/58/1128125758.db2.gz HNQZWPMXTMETGU-HIFRSBDPSA-N 0 1 288.391 3.601 20 0 CHADMN Cc1ccc([C@@H](NC[C@@]2(C)CCCO2)c2ccccn2)cc1 ZINC000925249029 1128126901 /nfs/dbraw/zinc/12/69/01/1128126901.db2.gz JVOIHOIGPBLUJY-RTBURBONSA-N 0 1 296.414 3.638 20 0 CHADMN CC(C)c1csc(CN[C@H](C)C2(Cl)CC2)n1 ZINC000925282996 1128127640 /nfs/dbraw/zinc/12/76/40/1128127640.db2.gz MROKHBNYZCVWIN-SECBINFHSA-N 0 1 258.818 3.516 20 0 CHADMN C[C@@H](NCc1cccc(OCC(F)F)c1)c1ccns1 ZINC000925364267 1128128787 /nfs/dbraw/zinc/12/87/87/1128128787.db2.gz OBRSYHLVFLFPHR-SNVBAGLBSA-N 0 1 298.358 3.638 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2NC1CC(c2ccccc2)C1 ZINC000925366911 1128128959 /nfs/dbraw/zinc/12/89/59/1128128959.db2.gz LCWNCRAARYHACX-GPANFISMSA-N 0 1 282.387 3.896 20 0 CHADMN CCn1c2ccccc2nc1[C@@H](C)N[C@H](C)C1(Cl)CC1 ZINC000925440393 1128129383 /nfs/dbraw/zinc/12/93/83/1128129383.db2.gz RKJWVVWLXSZNCB-VXGBXAGGSA-N 0 1 291.826 3.867 20 0 CHADMN CSC1CC(N[C@@H](C)c2csc(C(C)C)n2)C1 ZINC000925447640 1128129387 /nfs/dbraw/zinc/12/93/87/1128129387.db2.gz ZWDZDBLDUWVPLL-WHXUTIOJSA-N 0 1 270.467 3.811 20 0 CHADMN C[C@@H](N[C@@H](C)c1csc(C(F)(F)F)c1)c1cn[nH]c1 ZINC000925635286 1128135088 /nfs/dbraw/zinc/13/50/88/1128135088.db2.gz PRBMHJRXACAZGV-JGVFFNPUSA-N 0 1 289.326 3.902 20 0 CHADMN C[C@@H](NCCCF)c1ncc(C(F)(F)F)cc1Cl ZINC000925560680 1128132646 /nfs/dbraw/zinc/13/26/46/1128132646.db2.gz WZWTWEURYCMRMS-SSDOTTSWSA-N 0 1 284.684 3.764 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@@H](C)c1cc(O)cc(F)c1 ZINC000925686293 1128137217 /nfs/dbraw/zinc/13/72/17/1128137217.db2.gz STSIZUVQEYCQTN-NWDGAFQWSA-N 0 1 288.366 3.901 20 0 CHADMN CCN(CCC(F)(F)F)Cc1ccc(CF)cc1 ZINC000777572330 1128137583 /nfs/dbraw/zinc/13/75/83/1128137583.db2.gz IBFWWBTUTULILJ-UHFFFAOYSA-N 0 1 263.278 3.930 20 0 CHADMN Cc1ccc([C@H](NCCOC(C)(C)C)c2cccnc2)cc1 ZINC000925777425 1128142488 /nfs/dbraw/zinc/14/24/88/1128142488.db2.gz DMRUITFBFGVRTF-SFHVURJKSA-N 0 1 298.430 3.884 20 0 CHADMN C[C@@H](NC1(c2ccccc2)CCC1)c1ccns1 ZINC000925781703 1128142535 /nfs/dbraw/zinc/14/25/35/1128142535.db2.gz ZTDVOUKFQABOKS-GFCCVEGCSA-N 0 1 258.390 3.873 20 0 CHADMN O=C(/C=C/C1CCCC1)Nc1ccccc1-c1cn[nH]c1 ZINC000493745545 1128147977 /nfs/dbraw/zinc/14/79/77/1128147977.db2.gz LIBWJHHGBCDLNP-MDZDMXLPSA-N 0 1 281.359 3.762 20 0 CHADMN CCC[C@H](NCC1(OC)CCC1)c1ncccc1Cl ZINC000926116563 1128155914 /nfs/dbraw/zinc/15/59/14/1128155914.db2.gz WQCFDZIAUVRUSZ-ZDUSSCGKSA-N 0 1 282.815 3.735 20 0 CHADMN C[C@@H]1CCN(Cc2cccc(OC(C)(C)C)n2)CCS1 ZINC000494109812 1128156061 /nfs/dbraw/zinc/15/60/61/1128156061.db2.gz WLRHJAQUUITDJB-CYBMUJFWSA-N 0 1 294.464 3.586 20 0 CHADMN CC[C@H](CC(F)(F)F)N[C@H]1CCCc2oc(C)nc21 ZINC000926175536 1128157955 /nfs/dbraw/zinc/15/79/55/1128157955.db2.gz QWWCBSGPUOLBAE-ZJUUUORDSA-N 0 1 276.302 3.681 20 0 CHADMN FCc1ccc(CN2CCOC3(CCCCC3)C2)cc1 ZINC000777589712 1128160314 /nfs/dbraw/zinc/16/03/14/1128160314.db2.gz CAWUSAGVLBQCBG-UHFFFAOYSA-N 0 1 277.383 3.691 20 0 CHADMN CC1(C)C[C@@H](CNc2ccc3c(c2)nc2cc[nH]cc3-2)O1 ZINC001168461386 1128161023 /nfs/dbraw/zinc/16/10/23/1128161023.db2.gz VDEXVSQIESPZSS-LBPRGKRZSA-N 0 1 281.359 3.696 20 0 CHADMN CC(C)c1ccc2c(c1)[C@H](N[C@@H](C)c1cn(C)cn1)CC2 ZINC000926228150 1128161713 /nfs/dbraw/zinc/16/17/13/1128161713.db2.gz WZIFASBDRHDISD-SUMWQHHRSA-N 0 1 283.419 3.882 20 0 CHADMN c1cc(CNc2ccc3cnccc3c2)c2c(c1)COCC2 ZINC000630066044 1128162875 /nfs/dbraw/zinc/16/28/75/1128162875.db2.gz ZJHFLRVMUMISHJ-UHFFFAOYSA-N 0 1 290.366 3.920 20 0 CHADMN CCc1cccc(CNc2ccc3c[nH]nc3c2)c1 ZINC000630067065 1128167131 /nfs/dbraw/zinc/16/71/31/1128167131.db2.gz PGBOGOCSNMUVIR-UHFFFAOYSA-N 0 1 251.333 3.737 20 0 CHADMN C[C@H](N[C@@]1(C)CCO[C@H]1C)c1ncc(-c2ccccc2)o1 ZINC000494251820 1128167612 /nfs/dbraw/zinc/16/76/12/1128167612.db2.gz SZNRDYYGAXJDON-DCGLDWPTSA-N 0 1 286.375 3.560 20 0 CHADMN Cc1nccnc1[C@@H](C)N[C@H](C)c1coc2ccccc21 ZINC000926839207 1128197544 /nfs/dbraw/zinc/19/75/44/1128197544.db2.gz YFLGMGONFSPZPM-DGCLKSJQSA-N 0 1 281.359 3.943 20 0 CHADMN CCc1nc(C)c(CNCc2ccc(F)c3cccnc23)o1 ZINC000494330222 1128169664 /nfs/dbraw/zinc/16/96/64/1128169664.db2.gz LZHLMROQWVBKCR-UHFFFAOYSA-N 0 1 299.349 3.523 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@H](C)c1ccnnc1 ZINC000926357436 1128169640 /nfs/dbraw/zinc/16/96/40/1128169640.db2.gz WUSHNEQGUWLQQR-NEPJUHHUSA-N 0 1 273.405 3.610 20 0 CHADMN Cc1nc2c(o1)CCC[C@@H]2N[C@]1(C)C[C@H]1c1ccccc1 ZINC000926482979 1128174930 /nfs/dbraw/zinc/17/49/30/1128174930.db2.gz QIZWCOIRASXZGY-RLFYNMQTSA-N 0 1 282.387 3.896 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccc(C(=O)OC)o1)c1ccccc1 ZINC000223625876 1128180292 /nfs/dbraw/zinc/18/02/92/1128180292.db2.gz DFYUSKIVWKDWFN-JSGCOSHPSA-N 0 1 287.359 3.868 20 0 CHADMN Cc1cccc([C@H](C)N[C@H](C)c2cn3c(n2)CCCC3)c1 ZINC000926555321 1128180620 /nfs/dbraw/zinc/18/06/20/1128180620.db2.gz MSBNHKAZVFZJTD-LSDHHAIUSA-N 0 1 283.419 3.940 20 0 CHADMN COC(=O)c1ccc([C@H](C)N[C@H](C)c2ccc(C)cc2)o1 ZINC000223624283 1128180619 /nfs/dbraw/zinc/18/06/19/1128180619.db2.gz GJEHWUYTMCFRCO-OLZOCXBDSA-N 0 1 287.359 3.786 20 0 CHADMN Cc1ccc(CN[C@H](c2ccccn2)C2CCC2)nc1C ZINC000926570164 1128181427 /nfs/dbraw/zinc/18/14/27/1128181427.db2.gz VQKZNDOPSZACGQ-SFHVURJKSA-N 0 1 281.403 3.724 20 0 CHADMN COc1c(C)cccc1CN[C@@H](C)c1ccnn1C1CCC1 ZINC000926661191 1128186534 /nfs/dbraw/zinc/18/65/34/1128186534.db2.gz ASXJBDXQWOSOPS-AWEZNQCLSA-N 0 1 299.418 3.776 20 0 CHADMN O[C@@H]1C[C@H](N[C@@H](c2ccccn2)C2CCC2)c2ccccc21 ZINC000926699716 1128188324 /nfs/dbraw/zinc/18/83/24/1128188324.db2.gz LFVRNDXXFQGMMP-IPMKNSEASA-N 0 1 294.398 3.691 20 0 CHADMN COc1cccc(CN[C@H](C)c2cnn(C3CCC3)c2)c1C ZINC000926731374 1128190356 /nfs/dbraw/zinc/19/03/56/1128190356.db2.gz BMNXLQMSNIZYSC-CQSZACIVSA-N 0 1 299.418 3.776 20 0 CHADMN C[C@@H](N[C@H]1CCCc2ccc(Cl)cc21)c1ccnnc1 ZINC000926770541 1128192606 /nfs/dbraw/zinc/19/26/06/1128192606.db2.gz ZKQICCAYKFIOKP-BZNIZROVSA-N 0 1 287.794 3.858 20 0 CHADMN C[C@@H](N[C@H]1CCCn2nccc21)c1coc2ccccc12 ZINC000926815151 1128196389 /nfs/dbraw/zinc/19/63/89/1128196389.db2.gz BCVBBMNRAVMMCD-DOMZBBRYSA-N 0 1 281.359 3.815 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N(C)CCc1ccns1 ZINC000929287183 1128268258 /nfs/dbraw/zinc/26/82/58/1128268258.db2.gz XRXASYLWHKOSDL-SNVBAGLBSA-N 0 1 282.359 3.657 20 0 CHADMN FC(F)(F)[C@H](Nc1cncc2cc[nH]c21)c1ccccn1 ZINC001168480743 1128245994 /nfs/dbraw/zinc/24/59/94/1128245994.db2.gz TTYSJHISCXZHJN-CYBMUJFWSA-N 0 1 292.264 3.673 20 0 CHADMN CC[C@H]1CCC[C@H]1Nc1ccc(CN(C)C)c(F)c1 ZINC000777702814 1128246465 /nfs/dbraw/zinc/24/64/65/1128246465.db2.gz UKMBYHSWOZJQPW-BLLLJJGKSA-N 0 1 264.388 3.878 20 0 CHADMN C[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1ccoc1 ZINC000777703565 1128247565 /nfs/dbraw/zinc/24/75/65/1128247565.db2.gz WRWOLQGNCOJABI-LLVKDONJSA-N 0 1 262.328 3.653 20 0 CHADMN Clc1cc2c(cc1CN1CCC3(CCC3)CC1)OCO2 ZINC001138240053 1128252363 /nfs/dbraw/zinc/25/23/63/1128252363.db2.gz ZAZWDMKDNVPFQC-UHFFFAOYSA-N 0 1 293.794 3.835 20 0 CHADMN CC(C)c1ccc([C@H]2CCCC[N@H+]2CC2OCCO2)cc1 ZINC000777715630 1128252872 /nfs/dbraw/zinc/25/28/72/1128252872.db2.gz CQPRWYUKYFOWTC-QGZVFWFLSA-N 0 1 289.419 3.710 20 0 CHADMN CC[C@@H]1COC[C@H]1NCc1c(Cl)cccc1Cl ZINC000699481701 1128253876 /nfs/dbraw/zinc/25/38/76/1128253876.db2.gz GOFIHRZIHOGALW-NOZJJQNGSA-N 0 1 274.191 3.508 20 0 CHADMN FCc1ccc(CNC2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000777725511 1128254819 /nfs/dbraw/zinc/25/48/19/1128254819.db2.gz IMAMPIGNAFRLJR-UHFFFAOYSA-N 0 1 299.345 3.664 20 0 CHADMN CC1(C)C[C@H](N(CCF)Cc2ccccc2)C(C)(C)O1 ZINC000777745759 1128256220 /nfs/dbraw/zinc/25/62/20/1128256220.db2.gz AMDRDCMGHMBYKF-HNNXBMFYSA-N 0 1 279.399 3.804 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc3ccc(C)cc3o2)cn1 ZINC000495261128 1128256733 /nfs/dbraw/zinc/25/67/33/1128256733.db2.gz UTTPQRKIRISTEN-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN CCCN(Cc1coc(C(C)(C)C)n1)CC1CC1 ZINC000929143293 1128260815 /nfs/dbraw/zinc/26/08/15/1128260815.db2.gz LXTJXSKVNGDFRO-UHFFFAOYSA-N 0 1 250.386 3.594 20 0 CHADMN CCC[C@@H](N[C@@H]1CCO[C@H]1C1CC1)c1ncccc1Cl ZINC000926889788 1128200666 /nfs/dbraw/zinc/20/06/66/1128200666.db2.gz ZJYSQDPZPQJEJT-FMKPAKJESA-N 0 1 294.826 3.733 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)N[C@@H](C)c1cncnc1C ZINC000926900435 1128201094 /nfs/dbraw/zinc/20/10/94/1128201094.db2.gz ZIHSARLTZODUJM-OLZOCXBDSA-N 0 1 273.355 3.644 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H](C)c2ccc(F)cc2C)c(C)n1 ZINC000926898410 1128201359 /nfs/dbraw/zinc/20/13/59/1128201359.db2.gz NULLSHBQZJZPRV-VXGBXAGGSA-N 0 1 287.382 3.953 20 0 CHADMN COc1ccc2ccccc2c1CCN[C@@H](C)c1ncco1 ZINC000926911990 1128202611 /nfs/dbraw/zinc/20/26/11/1128202611.db2.gz RDKJGHMJLKURCZ-ZDUSSCGKSA-N 0 1 296.370 3.730 20 0 CHADMN CC(C)CN(C)C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000494822429 1128203357 /nfs/dbraw/zinc/20/33/57/1128203357.db2.gz VNNRRDSZCBMCED-UHFFFAOYSA-N 0 1 297.811 3.520 20 0 CHADMN Cc1ccc(F)c(CN[C@@H]2CCCc3occc32)c1 ZINC000227283556 1128203555 /nfs/dbraw/zinc/20/35/55/1128203555.db2.gz SRJNJHLNWNOXSU-OAHLLOKOSA-N 0 1 259.324 3.894 20 0 CHADMN CCCc1csc(CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)n1 ZINC000494842937 1128205711 /nfs/dbraw/zinc/20/57/11/1128205711.db2.gz VNXVNEVKXATVQP-ZIAGYGMSSA-N 0 1 296.480 3.777 20 0 CHADMN CC(C)c1nc([C@H](C)NC[C@@]2(C)CCCCO2)cs1 ZINC000927017004 1128208328 /nfs/dbraw/zinc/20/83/28/1128208328.db2.gz HWMKCWSVGIAPGG-SWLSCSKDSA-N 0 1 282.453 3.876 20 0 CHADMN COc1cccc2c1CN([C@H](C)Cc1cccc(F)c1)CC2 ZINC001168473650 1128208771 /nfs/dbraw/zinc/20/87/71/1128208771.db2.gz GGAQLVBVAUBLPR-CQSZACIVSA-N 0 1 299.389 3.824 20 0 CHADMN Cc1ccc(-c2nnc([C@H](C)NC3(C4CC4)CC3)o2)cc1 ZINC000542520574 1128209269 /nfs/dbraw/zinc/20/92/69/1128209269.db2.gz CIFGWHCZHSKNFX-LBPRGKRZSA-N 0 1 283.375 3.638 20 0 CHADMN COc1ccc([C@H](C)N[C@@H]2CCCc3cccnc32)cc1O ZINC000927061289 1128212183 /nfs/dbraw/zinc/21/21/83/1128212183.db2.gz MYFFYZYWXPDWDS-SWLSCSKDSA-N 0 1 298.386 3.524 20 0 CHADMN CC(C)[C@H](N[C@@H]1CCCc2cccnc21)c1ccccn1 ZINC000927061130 1128212542 /nfs/dbraw/zinc/21/25/42/1128212542.db2.gz BFNJKUOKGLCRAD-SJORKVTESA-N 0 1 281.403 3.841 20 0 CHADMN CC(C)[C@@H](N[C@@H]1CCCc2cccnc21)c1ccccn1 ZINC000927061128 1128212676 /nfs/dbraw/zinc/21/26/76/1128212676.db2.gz BFNJKUOKGLCRAD-IAGOWNOFSA-N 0 1 281.403 3.841 20 0 CHADMN COc1ccc([C@H](N[C@H](C)c2ccn(C)n2)C2CCC2)cc1 ZINC000927065370 1128213879 /nfs/dbraw/zinc/21/38/79/1128213879.db2.gz DQTAASQDGAXBDE-FZKQIMNGSA-N 0 1 299.418 3.621 20 0 CHADMN CC[C@H](N[C@@H](c1cnn(C)c1)C(C)C)c1ccccc1F ZINC000927070164 1128215647 /nfs/dbraw/zinc/21/56/47/1128215647.db2.gz OKKUWFYFJWYBOV-DLBZAZTESA-N 0 1 289.398 3.997 20 0 CHADMN Cn1nc(C2CC2)cc1CN[C@@H]1CC(C)(C)Cc2occc21 ZINC000927098243 1128217279 /nfs/dbraw/zinc/21/72/79/1128217279.db2.gz GOGMGRMIGFQRSY-MRXNPFEDSA-N 0 1 299.418 3.694 20 0 CHADMN CCC[C@H](NCc1cc(C2CC2)nn1C)c1cc(C)ccn1 ZINC000927101035 1128217388 /nfs/dbraw/zinc/21/73/88/1128217388.db2.gz ORZYZVMDAJLWJL-INIZCTEOSA-N 0 1 298.434 3.632 20 0 CHADMN C[C@H](NCc1cc(C2CC2)nn1C)c1cc2ccccc2[nH]1 ZINC000927098785 1128217602 /nfs/dbraw/zinc/21/76/02/1128217602.db2.gz MFEBYVOFUNFBEF-LBPRGKRZSA-N 0 1 294.402 3.630 20 0 CHADMN C[C@@H]1C[N@@H+](C/C=C/c2ccncc2)[C@@H]1c1ccccc1 ZINC000494979025 1128221157 /nfs/dbraw/zinc/22/11/57/1128221157.db2.gz WMJZVIIQOZLVFZ-IJVDXJMESA-N 0 1 264.372 3.788 20 0 CHADMN CCc1onc(C)c1CN[C@@H]1CCCOc2ccccc21 ZINC000927139601 1128221585 /nfs/dbraw/zinc/22/15/85/1128221585.db2.gz MFOYKWCUQZYDJV-OAHLLOKOSA-N 0 1 286.375 3.549 20 0 CHADMN CCC[C@H](C)N(C)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000495050613 1128225779 /nfs/dbraw/zinc/22/57/79/1128225779.db2.gz UFTZABRSXUHMGY-AWEZNQCLSA-N 0 1 299.418 3.954 20 0 CHADMN Cc1cc(CN(C)Cc2cccc3ccccc32)c(C)nn1 ZINC000929285537 1128267718 /nfs/dbraw/zinc/26/77/18/1128267718.db2.gz MJPRSDAHWPMGMD-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN CCC[C@H](C)[N@H+]1CCO[C@@](C)(c2ccc(C)cc2)C1 ZINC001257325181 1128235296 /nfs/dbraw/zinc/23/52/96/1128235296.db2.gz GZPYEMGGYHRADA-DOTOQJQBSA-N 0 1 261.409 3.731 20 0 CHADMN CCC[C@@H](C)[N@H+]1CCO[C@](C)(c2ccc(C)cc2)C1 ZINC001257325184 1128235851 /nfs/dbraw/zinc/23/58/51/1128235851.db2.gz GZPYEMGGYHRADA-WBVHZDCISA-N 0 1 261.409 3.731 20 0 CHADMN C[C@H](c1ccco1)N(C/C=C/c1ccncc1)C1CC1 ZINC000495165039 1128240251 /nfs/dbraw/zinc/24/02/51/1128240251.db2.gz QPQZHTXKOXUUQA-KWEXDPCDSA-N 0 1 268.360 3.913 20 0 CHADMN COCCN(CC(C)C)Cn1c2ccccc2oc1=S ZINC000914783497 1128242771 /nfs/dbraw/zinc/24/27/71/1128242771.db2.gz JRQGMJZIOFURRF-UHFFFAOYSA-N 0 1 294.420 3.526 20 0 CHADMN C[C@@H](C(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1)C1CC1 ZINC000176579476 1128242807 /nfs/dbraw/zinc/24/28/07/1128242807.db2.gz UWMPPFBFXFFOAY-BDAKNGLRSA-N 0 1 292.766 3.867 20 0 CHADMN C[C@@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC(C)(C)O1 ZINC000929347668 1128271364 /nfs/dbraw/zinc/27/13/64/1128271364.db2.gz JKENCENPFFNDRF-BPLDGKMQSA-N 0 1 295.373 3.535 20 0 CHADMN C[C@H](c1ccco1)N(C)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929368776 1128271609 /nfs/dbraw/zinc/27/16/09/1128271609.db2.gz BVSYOQXLHYRQFS-NTZNESFSSA-N 0 1 291.313 3.772 20 0 CHADMN C[C@@H](c1ncccn1)N(C)CCc1cccc2ccccc21 ZINC000929460070 1128274337 /nfs/dbraw/zinc/27/43/37/1128274337.db2.gz SGGDTEDWIVMYEI-HNNXBMFYSA-N 0 1 291.398 3.865 20 0 CHADMN CCc1onc(C)c1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000929530256 1128276549 /nfs/dbraw/zinc/27/65/49/1128276549.db2.gz MRYIGOXNRXDOIW-CQSZACIVSA-N 0 1 288.366 3.674 20 0 CHADMN CCc1onc(C)c1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000929530255 1128276598 /nfs/dbraw/zinc/27/65/98/1128276598.db2.gz MRYIGOXNRXDOIW-AWEZNQCLSA-N 0 1 288.366 3.674 20 0 CHADMN C[C@@H](c1ccc(F)nc1)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000929531405 1128277048 /nfs/dbraw/zinc/27/70/48/1128277048.db2.gz QHMFZGWBHJERBH-WFASDCNBSA-N 0 1 288.341 3.910 20 0 CHADMN C[C@@H](c1ccc(F)nc1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000929531405 1128277051 /nfs/dbraw/zinc/27/70/51/1128277051.db2.gz QHMFZGWBHJERBH-WFASDCNBSA-N 0 1 288.341 3.910 20 0 CHADMN Cc1cn(C)nc1CN(C)[C@H](c1ccccc1)C(C)C ZINC000929630111 1128279528 /nfs/dbraw/zinc/27/95/28/1128279528.db2.gz BIQPYVDYZFTQAZ-KRWDZBQOSA-N 0 1 271.408 3.558 20 0 CHADMN CCCN(CCc1cccc(F)c1)[C@@H](C)c1ncccn1 ZINC000929642221 1128280928 /nfs/dbraw/zinc/28/09/28/1128280928.db2.gz FHJNQSMKIMPYNA-AWEZNQCLSA-N 0 1 287.382 3.631 20 0 CHADMN CC(C)c1nc(CN[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)no1 ZINC000495419447 1128282004 /nfs/dbraw/zinc/28/20/04/1128282004.db2.gz BHUFXOFIXJAJCY-MGPQQGTHSA-N 0 1 279.428 3.743 20 0 CHADMN C[C@H](c1ncccn1)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000929716380 1128282912 /nfs/dbraw/zinc/28/29/12/1128282912.db2.gz YVFNLAKWWZSPPY-BFYDXBDKSA-N 0 1 281.403 3.663 20 0 CHADMN C[C@H](c1ncccn1)N1CC[C@H](CSc2ccccc2)C1 ZINC000929730316 1128283991 /nfs/dbraw/zinc/28/39/91/1128283991.db2.gz AZKBVTMTVYPGHQ-CABCVRRESA-N 0 1 299.443 3.652 20 0 CHADMN C[C@H](c1ccc(F)nc1)N1CC[C@H]1Cc1ccccc1 ZINC000929813932 1128289345 /nfs/dbraw/zinc/28/93/45/1128289345.db2.gz HIUAEEPORWHDFX-CJNGLKHVSA-N 0 1 270.351 3.599 20 0 CHADMN Cc1nc(C)c(CN2CC[C@H](C)C[C@H]2c2ccco2)[nH]1 ZINC000929757237 1128284829 /nfs/dbraw/zinc/28/48/29/1128284829.db2.gz FTIGGLFMJABFIR-NHYWBVRUSA-N 0 1 273.380 3.593 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1Cc1coc(C(C)(C)C)n1 ZINC000929762588 1128284988 /nfs/dbraw/zinc/28/49/88/1128284988.db2.gz GHOLZTXFNXQECM-DGCLKSJQSA-N 0 1 250.386 3.593 20 0 CHADMN Cc1cc(CN2CC[C@H](C)C[C@H]2c2ccco2)c(C)nn1 ZINC000929758993 1128285205 /nfs/dbraw/zinc/28/52/05/1128285205.db2.gz VIECOFCJKVFQSY-LRDDRELGSA-N 0 1 285.391 3.660 20 0 CHADMN CCCCC[C@@H](C(=O)NCCCc1cn[nH]c1C)C(C)C ZINC000153515838 1128291218 /nfs/dbraw/zinc/29/12/18/1128291218.db2.gz RKRGCNXPHHRZED-MRXNPFEDSA-N 0 1 293.455 3.619 20 0 CHADMN CCCCOC(=O)CC[C@H](C)N[C@H](C)c1nc(C)cs1 ZINC001257377509 1128292188 /nfs/dbraw/zinc/29/21/88/1128292188.db2.gz BQDPWBXUQWCPQR-WCQYABFASA-N 0 1 298.452 3.614 20 0 CHADMN C[C@H](NC[C@@H]1CCCC[C@H]1C)c1nc(C(C)(C)C)no1 ZINC000262434368 1128293522 /nfs/dbraw/zinc/29/35/22/1128293522.db2.gz UDPWXJIAAJMFMD-AGIUHOORSA-N 0 1 279.428 3.844 20 0 CHADMN CCc1ncc(CNC2(c3ccc(F)cc3)CCCC2)o1 ZINC000929962574 1128295343 /nfs/dbraw/zinc/29/53/43/1128295343.db2.gz MRWDLKGMOAZZET-UHFFFAOYSA-N 0 1 288.366 3.935 20 0 CHADMN C[C@@H]1C[C@H](CN2CCc3c4ccccc4[nH]c3C2)C[C@H](C)O1 ZINC000930106563 1128300223 /nfs/dbraw/zinc/30/02/23/1128300223.db2.gz RMGGETQZWBNOMC-FICVDOATSA-N 0 1 298.430 3.730 20 0 CHADMN COc1cccc(CN(Cc2ccncc2)C2CC2)c1C ZINC000930111832 1128301143 /nfs/dbraw/zinc/30/11/43/1128301143.db2.gz FBVPMOWIZCJRKP-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN CCc1ncc(CN2CCC(Nc3cccc(C)c3)CC2)o1 ZINC000929996071 1128297549 /nfs/dbraw/zinc/29/75/49/1128297549.db2.gz WSNOYPMYHNFGLK-UHFFFAOYSA-N 0 1 299.418 3.622 20 0 CHADMN COc1ccc2c(c1)C[N@@H+]([C@H](C)Cc1cccc(F)c1)C2 ZINC001168491234 1128304571 /nfs/dbraw/zinc/30/45/71/1128304571.db2.gz KNJKIYKJQNXFPI-CYBMUJFWSA-N 0 1 285.362 3.781 20 0 CHADMN COc1ccc2c(c1)CN([C@H](C)Cc1cccc(F)c1)C2 ZINC001168491234 1128304576 /nfs/dbraw/zinc/30/45/76/1128304576.db2.gz KNJKIYKJQNXFPI-CYBMUJFWSA-N 0 1 285.362 3.781 20 0 CHADMN CC[C@H](CSC)[N@@H+](C)Cc1cnc(-c2ccccc2)o1 ZINC000930178823 1128304599 /nfs/dbraw/zinc/30/45/99/1128304599.db2.gz BXWAKZPLTSGSRM-CQSZACIVSA-N 0 1 290.432 3.915 20 0 CHADMN COc1ccc2c(c1)C[N@@H+]([C@@H](C)Cc1cccc(F)c1)C2 ZINC001168491242 1128305124 /nfs/dbraw/zinc/30/51/24/1128305124.db2.gz KNJKIYKJQNXFPI-ZDUSSCGKSA-N 0 1 285.362 3.781 20 0 CHADMN COc1ccc2c(c1)CN([C@@H](C)Cc1cccc(F)c1)C2 ZINC001168491242 1128305127 /nfs/dbraw/zinc/30/51/27/1128305127.db2.gz KNJKIYKJQNXFPI-ZDUSSCGKSA-N 0 1 285.362 3.781 20 0 CHADMN CCC[C@@H](NCc1[nH]c(C)nc1C)c1ccc(F)cc1F ZINC000930233659 1128309015 /nfs/dbraw/zinc/30/90/15/1128309015.db2.gz SZUDYWJCQIGKBI-OAHLLOKOSA-N 0 1 293.361 3.936 20 0 CHADMN COc1ccccc1[C@@H](CC(C)C)NCc1ccc(N)nc1 ZINC000930233641 1128309367 /nfs/dbraw/zinc/30/93/67/1128309367.db2.gz SNYGLORGQNYKEL-MRXNPFEDSA-N 0 1 299.418 3.549 20 0 CHADMN C[C@H]1CCN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@@H]1F ZINC000930245973 1128309770 /nfs/dbraw/zinc/30/97/70/1128309770.db2.gz XIGCCJWPLHMBIJ-PMOUVXMZSA-N 0 1 283.337 3.715 20 0 CHADMN CCc1ncc(CN2CCC=C(c3ccccc3)C2)o1 ZINC000930377534 1128316309 /nfs/dbraw/zinc/31/63/09/1128316309.db2.gz WWKKOPPANVUXFN-UHFFFAOYSA-N 0 1 268.360 3.526 20 0 CHADMN CC1CC(CN2CCCC[C@H]2c2nnc(C3CCC3)o2)C1 ZINC000930485049 1128321902 /nfs/dbraw/zinc/32/19/02/1128321902.db2.gz WJBVMABXYUHTMW-PIMMBPRGSA-N 0 1 289.423 3.910 20 0 CHADMN C[C@@H]1C[C@H](CN2Cc3cccc(Cl)c3C2)C[C@H](C)O1 ZINC000930490497 1128321931 /nfs/dbraw/zinc/32/19/31/1128321931.db2.gz UCBMYGSRZFXTLS-ITGUQSILSA-N 0 1 279.811 3.859 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2ccc(Br)cc2N)C1 ZINC000094047192 1128322144 /nfs/dbraw/zinc/32/21/44/1128322144.db2.gz JTUFWQHNLJWTSC-QWRGUYRKSA-N 0 1 297.240 3.509 20 0 CHADMN CC1(C)CCN(Cc2ccc(Br)cc2N)CC1 ZINC000094047963 1128322183 /nfs/dbraw/zinc/32/21/83/1128322183.db2.gz IHAXCJQCHTVRSW-UHFFFAOYSA-N 0 1 297.240 3.653 20 0 CHADMN Cc1cc(C)nc(CN[C@H](C)c2ccc(F)c(C)c2)c1 ZINC000930598052 1128326968 /nfs/dbraw/zinc/32/69/68/1128326968.db2.gz IDADQOURUIBKIN-CQSZACIVSA-N 0 1 272.367 3.997 20 0 CHADMN COC/C(C)=C/CN1CCC[C@H]1c1ccc(F)cc1F ZINC000930665245 1128330464 /nfs/dbraw/zinc/33/04/64/1128330464.db2.gz WKYNELGULFBZKV-MZTACXPWSA-N 0 1 281.346 3.694 20 0 CHADMN CCN(Cc1c(Cl)nc2ccccn21)C1CCCC1 ZINC000153664738 1128330587 /nfs/dbraw/zinc/33/05/87/1128330587.db2.gz FWMWROJSYIZDEE-UHFFFAOYSA-N 0 1 277.799 3.752 20 0 CHADMN Cc1ccc2nc(SCc3cc(C)nnc3C)[nH]c2c1 ZINC000915632522 1128332031 /nfs/dbraw/zinc/33/20/31/1128332031.db2.gz QFISQQSFDIULBK-UHFFFAOYSA-N 0 1 284.388 3.570 20 0 CHADMN Cc1cc(C)nc(CN2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000930747747 1128333320 /nfs/dbraw/zinc/33/33/20/1128333320.db2.gz GCAGWHIGFMXSOY-CYBMUJFWSA-N 0 1 286.341 3.863 20 0 CHADMN COC/C(C)=C/CN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000930964089 1128342389 /nfs/dbraw/zinc/34/23/89/1128342389.db2.gz ATQWMCKQEBJPMD-SNQWNFELSA-N 0 1 275.392 3.789 20 0 CHADMN C[C@H]1CCC[C@H](C(=O)Nc2cc(Cl)c(O)cc2F)C1 ZINC000561652325 1128344244 /nfs/dbraw/zinc/34/42/44/1128344244.db2.gz XZEIYZBQGHUXSF-IUCAKERBSA-N 0 1 285.746 3.950 20 0 CHADMN CC(C)N(C)CC(=O)Nc1cccc(-c2ccccc2)c1 ZINC000561663136 1128344658 /nfs/dbraw/zinc/34/46/58/1128344658.db2.gz UWVLVKNXWRWTPP-UHFFFAOYSA-N 0 1 282.387 3.632 20 0 CHADMN CC1(C)CN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)[C@H]1c1cccnc1 ZINC000931081799 1128346733 /nfs/dbraw/zinc/34/67/33/1128346733.db2.gz AZUXGOUYUSTDPG-ATGSNQNLSA-N 0 1 292.373 3.756 20 0 CHADMN CC(C)CN(C(=O)c1cccc(F)c1O)C1CCCC1 ZINC000931077001 1128346803 /nfs/dbraw/zinc/34/68/03/1128346803.db2.gz ZKZREPOCULFLOB-UHFFFAOYSA-N 0 1 279.355 3.572 20 0 CHADMN Cc1cc(CN[C@]2(c3ccccc3)CC2(C)C)c(C)nn1 ZINC000931081587 1128347086 /nfs/dbraw/zinc/34/70/86/1128347086.db2.gz LSCFHDJQEVGQDC-SFHVURJKSA-N 0 1 281.403 3.508 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cnc(F)c(C)c1 ZINC001203519469 1128348576 /nfs/dbraw/zinc/34/85/76/1128348576.db2.gz HEOMIOOEDVYNOV-UHFFFAOYSA-N 0 1 283.306 3.830 20 0 CHADMN C[C@@H]1CC/C(=C\c2nc(-c3ccn4cncc4c3)no2)C1 ZINC000562619569 1128413765 /nfs/dbraw/zinc/41/37/65/1128413765.db2.gz DARWFRRAXPWATH-LAPSENCUSA-N 0 1 280.331 3.588 20 0 CHADMN FC(F)(F)[C@H](NCc1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC000561756631 1128352577 /nfs/dbraw/zinc/35/25/77/1128352577.db2.gz LIYXWGMHBABWQV-CYBMUJFWSA-N 0 1 295.308 3.507 20 0 CHADMN C[C@H]1CCC[C@H](Sc2nc(-c3ccccn3)n[nH]2)C1 ZINC000561793985 1128354405 /nfs/dbraw/zinc/35/44/05/1128354405.db2.gz MTPPWCGFZRBLEQ-QWRGUYRKSA-N 0 1 274.393 3.538 20 0 CHADMN O=C(Nc1ccc(F)c(Cl)c1)c1cccc2nc[nH]c21 ZINC000074732456 1128355208 /nfs/dbraw/zinc/35/52/08/1128355208.db2.gz HSWLHXJTKSXYEL-UHFFFAOYSA-N 0 1 289.697 3.608 20 0 CHADMN CC[C@H](C)CN1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931389187 1128360396 /nfs/dbraw/zinc/36/03/96/1128360396.db2.gz HMDMHLYYGVGHCI-SJCJKPOMSA-N 0 1 287.382 3.542 20 0 CHADMN Cc1cc(CN2C[C@@H](C)C[C@H](C)C2)cnc1Br ZINC001235826919 1128361207 /nfs/dbraw/zinc/36/12/07/1128361207.db2.gz BISQEBCHMFFDCT-QWRGUYRKSA-N 0 1 297.240 3.630 20 0 CHADMN COC[C@H]1CCC[N@@H+](Cc2cscc2Cl)CC1 ZINC000648867126 1128361950 /nfs/dbraw/zinc/36/19/50/1128361950.db2.gz PXXLWQDQMCLMOF-NSHDSACASA-N 0 1 273.829 3.650 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cnc(C)s1 ZINC001203522130 1128363082 /nfs/dbraw/zinc/36/30/82/1128363082.db2.gz KYASDSKIQVNYBE-UHFFFAOYSA-N 0 1 271.345 3.752 20 0 CHADMN C[C@@H](c1ccccc1F)N1CCC(c2ncco2)CC1 ZINC000931452676 1128363256 /nfs/dbraw/zinc/36/32/56/1128363256.db2.gz UGYKMGKRSGUTQS-LBPRGKRZSA-N 0 1 274.339 3.754 20 0 CHADMN CC[N@@H+](Cc1nc(-c2cccs2)oc1C)C(C)C ZINC000194092758 1128363488 /nfs/dbraw/zinc/36/34/88/1128363488.db2.gz XFCVZYOIZTYSMV-UHFFFAOYSA-N 0 1 264.394 3.942 20 0 CHADMN CCN(Cc1nc(-c2cccs2)oc1C)C(C)C ZINC000194092758 1128363491 /nfs/dbraw/zinc/36/34/91/1128363491.db2.gz XFCVZYOIZTYSMV-UHFFFAOYSA-N 0 1 264.394 3.942 20 0 CHADMN CN(CCc1ccc(F)cc1)Cc1nc2ccccc2o1 ZINC000055023110 1128365908 /nfs/dbraw/zinc/36/59/08/1128365908.db2.gz GUPYWLHABRJXGK-UHFFFAOYSA-N 0 1 284.334 3.641 20 0 CHADMN CCc1nc([C@@H]2CCCCN2C[C@H](C)C(C)(C)C)no1 ZINC000670262789 1128375143 /nfs/dbraw/zinc/37/51/43/1128375143.db2.gz LXJDGHXKSZDGGA-STQMWFEESA-N 0 1 279.428 3.841 20 0 CHADMN C[C@H](N[C@H]1CCc2c1cccc2F)c1ccc(F)nc1 ZINC000931754845 1128380007 /nfs/dbraw/zinc/38/00/07/1128380007.db2.gz MKAMWVQYICLSDG-BONVTDFDSA-N 0 1 274.314 3.698 20 0 CHADMN Cc1ccc(-c2cccc(CN3CC[C@@](F)(CO)C3)c2)cc1 ZINC000670273515 1128383896 /nfs/dbraw/zinc/38/38/96/1128383896.db2.gz DCAGIXRIHLNWIL-IBGZPJMESA-N 0 1 299.389 3.568 20 0 CHADMN Cc1ccccc1-c1cccc(CN2CC[C@@](F)(CO)C2)c1 ZINC000670273744 1128384536 /nfs/dbraw/zinc/38/45/36/1128384536.db2.gz VNOLXSHURPPGNL-IBGZPJMESA-N 0 1 299.389 3.568 20 0 CHADMN Cl/C=C(/Cl)CSc1nc(-c2ccccc2)n[nH]1 ZINC000763256207 1128384748 /nfs/dbraw/zinc/38/47/48/1128384748.db2.gz WQMXMHINDJHMPK-RMKNXTFCSA-N 0 1 286.187 3.883 20 0 CHADMN C[C@@H]1C[C@H](N[C@@H](c2ccccc2)c2ccccn2)CS1 ZINC000397824594 1128384891 /nfs/dbraw/zinc/38/48/91/1128384891.db2.gz LCRQSBBYFALSHJ-KMFMINBZSA-N 0 1 284.428 3.655 20 0 CHADMN Cc1ccccc1[C@H](C)NCc1cccc2c1OCCO2 ZINC000036168081 1128385805 /nfs/dbraw/zinc/38/58/05/1128385805.db2.gz OUTGZGDIDQHSLK-AWEZNQCLSA-N 0 1 283.371 3.617 20 0 CHADMN CN1CCc2c(F)cc(-c3cc(O)cc(Cl)c3)cc2C1 ZINC001235908634 1128389839 /nfs/dbraw/zinc/38/98/39/1128389839.db2.gz HEPYGNJZRPEQJE-UHFFFAOYSA-N 0 1 291.753 3.840 20 0 CHADMN CC(C)(C)OCCCCN1CCS[C@H](C(F)(F)F)C1 ZINC000932075843 1128394319 /nfs/dbraw/zinc/39/43/19/1128394319.db2.gz REKNFOOJLAGTGX-NSHDSACASA-N 0 1 299.402 3.561 20 0 CHADMN C[C@@]1(F)CCCN(Cc2ccnc3ccccc23)C1 ZINC000562663452 1128417071 /nfs/dbraw/zinc/41/70/71/1128417071.db2.gz WLHMPOWDWUQRBP-MRXNPFEDSA-N 0 1 258.340 3.559 20 0 CHADMN CCCc1nc(C)c(CN[C@H](C)c2ccc3n[nH]cc3c2)o1 ZINC000562379586 1128399093 /nfs/dbraw/zinc/39/90/93/1128399093.db2.gz BIDZPDZDQVLGGP-LLVKDONJSA-N 0 1 298.390 3.663 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ncccc1[O-] ZINC000562670281 1128417524 /nfs/dbraw/zinc/41/75/24/1128417524.db2.gz RMTALYYQLXCALQ-IIAWOOMASA-N 0 1 282.387 3.554 20 0 CHADMN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ncccc1[O-] ZINC000562670281 1128417525 /nfs/dbraw/zinc/41/75/25/1128417525.db2.gz RMTALYYQLXCALQ-IIAWOOMASA-N 0 1 282.387 3.554 20 0 CHADMN Cl/C=C/CN1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932620030 1128417556 /nfs/dbraw/zinc/41/75/56/1128417556.db2.gz VMNPCZOAWLFUKY-FARCUNLSSA-N 0 1 282.840 3.564 20 0 CHADMN C[C@@H](c1ccc(F)c(F)c1)N1C[C@@H](C)S[C@H](C)C1 ZINC000562457537 1128403925 /nfs/dbraw/zinc/40/39/25/1128403925.db2.gz DSEJGGHUSPUTSJ-MXWKQRLJSA-N 0 1 271.376 3.852 20 0 CHADMN Cc1ccccc1C[C@@H](C)N(C)Cc1nccn1C(C)C ZINC000562491647 1128405191 /nfs/dbraw/zinc/40/51/91/1128405191.db2.gz MJKZIMHCTZVSAA-MRXNPFEDSA-N 0 1 285.435 3.835 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)N1CCO[C@H](C)CC1 ZINC000932344767 1128405370 /nfs/dbraw/zinc/40/53/70/1128405370.db2.gz CWXROCRHQKUOED-NEPJUHHUSA-N 0 1 253.773 3.512 20 0 CHADMN CN1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC001138282066 1128405470 /nfs/dbraw/zinc/40/54/70/1128405470.db2.gz ZYOHIJAXCFGSMG-OWCLPIDISA-N 0 1 294.483 3.582 20 0 CHADMN COC(C)(C)[C@@H](C)NCc1nc(-c2cccs2)oc1C ZINC000932367168 1128405575 /nfs/dbraw/zinc/40/55/75/1128405575.db2.gz JPCXMOWNRZVOIY-LLVKDONJSA-N 0 1 294.420 3.615 20 0 CHADMN OC1(C2CCC2)CCN(Cc2sccc2Cl)CC1 ZINC000932819687 1128422705 /nfs/dbraw/zinc/42/27/05/1128422705.db2.gz QTVWDUAXFCSELL-UHFFFAOYSA-N 0 1 285.840 3.529 20 0 CHADMN CC[C@H]1CO[C@@H](C)CN1CCCOc1c(C)cccc1C ZINC000496854693 1128424445 /nfs/dbraw/zinc/42/44/45/1128424445.db2.gz RXZJDYLPVFVZAT-IRXDYDNUSA-N 0 1 291.435 3.572 20 0 CHADMN C[C@@H]1C[C@@H](C)C[NH+](Cc2cccc([O-])c2Cl)C1 ZINC000328333722 1128427122 /nfs/dbraw/zinc/42/71/22/1128427122.db2.gz JEWSEJNKZWKDAC-GHMZBOCLSA-N 0 1 253.773 3.524 20 0 CHADMN CCOc1cccc(CNCc2ccc(F)cc2F)c1 ZINC000037505690 1128433163 /nfs/dbraw/zinc/43/31/63/1128433163.db2.gz VYUAUVOMTRZVST-UHFFFAOYSA-N 0 1 277.314 3.653 20 0 CHADMN CC(C)c1cccc(C[N@@H+](C)Cc2cccc(=O)[nH]2)c1 ZINC000933402091 1128434411 /nfs/dbraw/zinc/43/44/11/1128434411.db2.gz UFZZDZIOWDSOEP-UHFFFAOYSA-N 0 1 270.376 3.543 20 0 CHADMN CC(C)c1cccc(CN(C)Cc2cccc(=O)[nH]2)c1 ZINC000933402091 1128434415 /nfs/dbraw/zinc/43/44/15/1128434415.db2.gz UFZZDZIOWDSOEP-UHFFFAOYSA-N 0 1 270.376 3.543 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cnn2ccccc12 ZINC001203524883 1128435124 /nfs/dbraw/zinc/43/51/24/1128435124.db2.gz FWQNBWRLRRTQFN-UHFFFAOYSA-N 0 1 290.326 3.635 20 0 CHADMN C[C@H]1CC[C@H](C)N1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000187461596 1128444301 /nfs/dbraw/zinc/44/43/01/1128444301.db2.gz PTIZPJTYXYUUQU-UWVGGRQHSA-N 0 1 268.744 3.621 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2cnc(C)cn2)cc1C ZINC000933483839 1128435279 /nfs/dbraw/zinc/43/52/79/1128435279.db2.gz NBYXLSGHASJUIK-KGLIPLIRSA-N 0 1 285.391 3.514 20 0 CHADMN CC(C)n1cc([C@@H](C)N[C@@H](C)c2cccc(O)c2)cn1 ZINC000562924001 1128441053 /nfs/dbraw/zinc/44/10/53/1128441053.db2.gz UMEWHKGHYZPSJX-QWHCGFSZSA-N 0 1 273.380 3.581 20 0 CHADMN c1ccc(C2=CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)nc1 ZINC000562933230 1128442013 /nfs/dbraw/zinc/44/20/13/1128442013.db2.gz BVUDGXUZTWSDDC-UHFFFAOYSA-N 0 1 290.410 3.860 20 0 CHADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(Br)s2)C1 ZINC000125699145 1128451945 /nfs/dbraw/zinc/45/19/45/1128451945.db2.gz ZLXHVHIWIBSNES-RKDXNWHRSA-N 0 1 274.227 3.741 20 0 CHADMN C[C@@H]1C[C@@H](C)N(Cc2ccc(Br)s2)C1 ZINC000125699145 1128451947 /nfs/dbraw/zinc/45/19/47/1128451947.db2.gz ZLXHVHIWIBSNES-RKDXNWHRSA-N 0 1 274.227 3.741 20 0 CHADMN CCC[C@@](C)(NCc1cc(C)ncn1)c1ccccc1 ZINC000934180371 1128453070 /nfs/dbraw/zinc/45/30/70/1128453070.db2.gz QIOONMDFVMERCN-QGZVFWFLSA-N 0 1 269.392 3.590 20 0 CHADMN CCC[C@@](C)(NCc1cnoc1C)c1ccccc1 ZINC000934181840 1128453952 /nfs/dbraw/zinc/45/39/52/1128453952.db2.gz GBKHIIKJQLLHFM-MRXNPFEDSA-N 0 1 258.365 3.788 20 0 CHADMN CC[C@@H]1CCN(Cc2cc(-c3cccs3)on2)C1 ZINC000125851465 1128455001 /nfs/dbraw/zinc/45/50/01/1128455001.db2.gz QASISBIXQQADEU-LLVKDONJSA-N 0 1 262.378 3.635 20 0 CHADMN COc1ncc(CN[C@@H](C)c2cncs2)c2ccccc21 ZINC000934196193 1128454645 /nfs/dbraw/zinc/45/46/45/1128454645.db2.gz ONCCRKVOUBJDIS-NSHDSACASA-N 0 1 299.399 3.551 20 0 CHADMN CC(C)N1CCC[C@@H]1c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000923861926 1128454690 /nfs/dbraw/zinc/45/46/90/1128454690.db2.gz VHSLFCMVKOGGGI-OAHLLOKOSA-N 0 1 296.374 3.763 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2ccccc2OC)cc1 ZINC000125829516 1128454750 /nfs/dbraw/zinc/45/47/50/1128454750.db2.gz HWRMWUMANBSONX-AWEZNQCLSA-N 0 1 285.387 3.897 20 0 CHADMN CCCCC1(NCc2coc(C(C)(C)C)n2)CC1 ZINC000934203941 1128454800 /nfs/dbraw/zinc/45/48/00/1128454800.db2.gz NHZRZOLMSHBPTE-UHFFFAOYSA-N 0 1 250.386 3.785 20 0 CHADMN CC[C@@H]1CCN(Cc2nc(C(C)(C)C)cs2)C1 ZINC000125393332 1128449792 /nfs/dbraw/zinc/44/97/92/1128449792.db2.gz XGLDXXPBUWBUFS-LLVKDONJSA-N 0 1 252.427 3.673 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000563124754 1128451116 /nfs/dbraw/zinc/45/11/16/1128451116.db2.gz LCNXJUGIBMHAKV-LBTNJELSSA-N 0 1 297.398 3.943 20 0 CHADMN FCCC1C[C@H]2CC[C@@H](C1)N2Cc1coc(C2CC2)n1 ZINC000934455643 1128460562 /nfs/dbraw/zinc/46/05/62/1128460562.db2.gz ROPGYYXFGLFXKA-PHTAMDTFSA-N 0 1 278.371 3.655 20 0 CHADMN C[C@H](NCc1cccs1)c1cnn(CC2CCC2)c1 ZINC000934560956 1128463113 /nfs/dbraw/zinc/46/31/13/1128463113.db2.gz BVGCFHXANWDLDU-LBPRGKRZSA-N 0 1 275.421 3.596 20 0 CHADMN CC(C)CCCN[C@H](C)c1ncc(Br)s1 ZINC000126418952 1128463542 /nfs/dbraw/zinc/46/35/42/1128463542.db2.gz CDIPTMNSCWLYRB-SECBINFHSA-N 0 1 291.258 3.992 20 0 CHADMN Cc1noc(C)c1CCSc1nc2ccc(C)cc2[nH]1 ZINC000126402752 1128463549 /nfs/dbraw/zinc/46/35/49/1128463549.db2.gz DVQWQYMRYGMSCC-UHFFFAOYSA-N 0 1 287.388 3.811 20 0 CHADMN c1cc([C@H]2C[N@@H+](CCC3CCCC3)CCO2)cs1 ZINC000126592450 1128464637 /nfs/dbraw/zinc/46/46/37/1128464637.db2.gz MRAABNUMMUWCHL-OAHLLOKOSA-N 0 1 265.422 3.702 20 0 CHADMN c1cc([C@H]2CN(CCC3CCCC3)CCO2)cs1 ZINC000126592450 1128464639 /nfs/dbraw/zinc/46/46/39/1128464639.db2.gz MRAABNUMMUWCHL-OAHLLOKOSA-N 0 1 265.422 3.702 20 0 CHADMN Cc1cc(CN2C[C@@H](C)OC3(CCC3)C2)c(C)s1 ZINC000564208607 1128469358 /nfs/dbraw/zinc/46/93/58/1128469358.db2.gz MHNTYKPCWZCDPH-LLVKDONJSA-N 0 1 265.422 3.508 20 0 CHADMN CN(Cc1ccc(F)c(F)c1)C[C@@H]1CC1(Cl)Cl ZINC000917053917 1128469932 /nfs/dbraw/zinc/46/99/32/1128469932.db2.gz VQDRVRKLBDQEAC-VIFPVBQESA-N 0 1 280.145 3.590 20 0 CHADMN Cc1ncoc1CN1CC=C(c2cccc(C)c2C)CC1 ZINC000934844541 1128470485 /nfs/dbraw/zinc/47/04/85/1128470485.db2.gz AXNGMGCEIZBUGU-UHFFFAOYSA-N 0 1 282.387 3.889 20 0 CHADMN C[N@@H+](Cc1ccc(CO)o1)Cc1cccc2ccccc21 ZINC000127286895 1128474650 /nfs/dbraw/zinc/47/46/50/1128474650.db2.gz CGGIZCAKALGJEL-UHFFFAOYSA-N 0 1 281.355 3.557 20 0 CHADMN c1ccc2c(c1)[nH]c1c2CN([C@@H]2C=CCCC2)CC1 ZINC000066534716 1128474700 /nfs/dbraw/zinc/47/47/00/1128474700.db2.gz IKEJQIHLIBCKLW-CYBMUJFWSA-N 0 1 252.361 3.635 20 0 CHADMN Cn1cc(C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)cn1 ZINC000066565333 1128474795 /nfs/dbraw/zinc/47/47/95/1128474795.db2.gz MBBPRMNSQGRRAR-UHFFFAOYSA-N 0 1 291.398 3.719 20 0 CHADMN CN(Cc1cnn(C)c1)Cc1ccc(-c2ccccc2)cc1 ZINC000066565333 1128474796 /nfs/dbraw/zinc/47/47/96/1128474796.db2.gz MBBPRMNSQGRRAR-UHFFFAOYSA-N 0 1 291.398 3.719 20 0 CHADMN c1cc(CNCc2cnc(-c3ccccc3)s2)co1 ZINC000066989028 1128480347 /nfs/dbraw/zinc/48/03/47/1128480347.db2.gz HQAWUWDOWAINQI-UHFFFAOYSA-N 0 1 270.357 3.693 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000563816862 1128481017 /nfs/dbraw/zinc/48/10/17/1128481017.db2.gz ROLORDDVORJCQC-KGLIPLIRSA-N 0 1 267.413 3.532 20 0 CHADMN C[C@@H](c1cccnc1)N(C)Cc1cc(F)cc2cccnc21 ZINC000127704547 1128481952 /nfs/dbraw/zinc/48/19/52/1128481952.db2.gz OCACCELPNJGUEL-ZDUSSCGKSA-N 0 1 295.361 3.962 20 0 CHADMN CCC[C@H](C)CC[C@@H](C)N1CCc2onc(COC)c2C1 ZINC001257480221 1128493027 /nfs/dbraw/zinc/49/30/27/1128493027.db2.gz UUJUFUCLHBURRA-UONOGXRCSA-N 0 1 294.439 3.784 20 0 CHADMN Cn1ccnc1[C@@H](N[C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000564251551 1128500772 /nfs/dbraw/zinc/50/07/72/1128500772.db2.gz ZXHWCVJZMJWCPC-HOTGVXAUSA-N 0 1 283.419 3.678 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000935972761 1128506943 /nfs/dbraw/zinc/50/69/43/1128506943.db2.gz GJNJQGHMAWCSAC-LPEHRKFASA-N 0 1 297.757 3.950 20 0 CHADMN CC[C@](C)(NC[C@@H]1CCCC2(CCC2)O1)c1nccs1 ZINC000929991132 1128511715 /nfs/dbraw/zinc/51/17/15/1128511715.db2.gz IHICVZQFPZSATJ-ZFWWWQNUSA-N 0 1 294.464 3.850 20 0 CHADMN Cc1ccc(C)c([C@H](C)[N@@H+](C)CC2(CC(=O)[O-])CC2)c1 ZINC000567116654 1128558277 /nfs/dbraw/zinc/55/82/77/1128558277.db2.gz GCZZRMFDDIYHNT-AWEZNQCLSA-N 0 1 275.392 3.551 20 0 CHADMN C[C@H]1CC[N@@H+](CC2CCC(C(C)(C)C)CC2)C[C@H]1C(=O)[O-] ZINC000564968496 1128518011 /nfs/dbraw/zinc/51/80/11/1128518011.db2.gz WZLSYVHZWBJILS-SLTXQBBLSA-N 0 1 295.467 3.882 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000565112078 1128520019 /nfs/dbraw/zinc/52/00/19/1128520019.db2.gz GXUOSZMBOVPGIJ-WPGHFRTFSA-N 0 1 295.810 3.834 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000565108317 1128520210 /nfs/dbraw/zinc/52/02/10/1128520210.db2.gz XENIEQSXILEGAY-SJCJKPOMSA-N 0 1 291.391 3.552 20 0 CHADMN Cc1ccc(CN[C@@H]2c3ccccc3O[C@@H]2C)cc1C ZINC000565268864 1128523038 /nfs/dbraw/zinc/52/30/38/1128523038.db2.gz QKDQLZSPHIOVBX-KDOFPFPSSA-N 0 1 267.372 3.915 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@@H+](CC(=O)[O-])C2CCCC2)C1 ZINC000565490891 1128527779 /nfs/dbraw/zinc/52/77/79/1128527779.db2.gz KPZSEZWYDDKEBG-ZIAGYGMSSA-N 0 1 267.413 3.532 20 0 CHADMN Cc1nc(C)c(CN2CC[C@@](F)(c3ccccc3)C2)s1 ZINC000565493428 1128527829 /nfs/dbraw/zinc/52/78/29/1128527829.db2.gz WKUDECVMJATDFD-INIZCTEOSA-N 0 1 290.407 3.831 20 0 CHADMN CCc1ccc(CN(C)Cc2cnccc2C)s1 ZINC000565633460 1128529540 /nfs/dbraw/zinc/52/95/40/1128529540.db2.gz NMOAVSGNSARQKC-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN C[C@H](c1nc(C(C)(C)C)no1)N(C)CC1CCCC1 ZINC000069227533 1128535592 /nfs/dbraw/zinc/53/55/92/1128535592.db2.gz PZEYVNYRKUQJFY-LLVKDONJSA-N 0 1 265.401 3.550 20 0 CHADMN Cc1ncc(CN[C@@H](Cc2ccncc2)c2cccs2)o1 ZINC000566004425 1128536571 /nfs/dbraw/zinc/53/65/71/1128536571.db2.gz RKRQESZEMGHNOZ-HNNXBMFYSA-N 0 1 299.399 3.513 20 0 CHADMN CCCCC[C@H](C)N1CCN(C(=O)C2CCCCC2)CC1 ZINC001257519620 1128538411 /nfs/dbraw/zinc/53/84/11/1128538411.db2.gz LPWFLCVZHWVIBM-INIZCTEOSA-N 0 1 294.483 3.680 20 0 CHADMN CN(Cc1cccnc1)Cc1cc(Cl)nc2ccccc12 ZINC000154762366 1128560394 /nfs/dbraw/zinc/56/03/94/1128560394.db2.gz AFJSGYQKFNOVSL-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CCc1ccc2ccccc2c1 ZINC000566360421 1128542805 /nfs/dbraw/zinc/54/28/05/1128542805.db2.gz PRDLOCUWGZWBJK-GOSISDBHSA-N 0 1 299.414 3.813 20 0 CHADMN CN(Cc1cccc(F)c1)Cc1ccccc1OC1CC1 ZINC000566882431 1128553922 /nfs/dbraw/zinc/55/39/22/1128553922.db2.gz QPFDIGLSSNCPCP-UHFFFAOYSA-N 0 1 285.362 3.999 20 0 CHADMN Cc1nnsc1CN1CCCC[C@H]1c1ccc(C)cc1 ZINC000566918884 1128554406 /nfs/dbraw/zinc/55/44/06/1128554406.db2.gz XARXEYDCWMVHES-HNNXBMFYSA-N 0 1 287.432 3.882 20 0 CHADMN CC(C)c1nc(C[N@@H+]2CC[C@@H]2C(C)C)c2ccccn21 ZINC000567278971 1128561355 /nfs/dbraw/zinc/56/13/55/1128561355.db2.gz QFAMHTXJVMTRLK-OAHLLOKOSA-N 0 1 271.408 3.688 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H]2C(C)C)c2ccccn21 ZINC000567278971 1128561362 /nfs/dbraw/zinc/56/13/62/1128561362.db2.gz QFAMHTXJVMTRLK-OAHLLOKOSA-N 0 1 271.408 3.688 20 0 CHADMN CCc1ccc(CN2CCC[C@@H]2c2cccc(C)n2)cn1 ZINC000567000275 1128555687 /nfs/dbraw/zinc/55/56/87/1128555687.db2.gz UQQUDNRNUBLTCI-GOSISDBHSA-N 0 1 281.403 3.685 20 0 CHADMN CCc1cnc(CN(C2CC2)C2CCCC2)s1 ZINC000567024375 1128556676 /nfs/dbraw/zinc/55/66/76/1128556676.db2.gz MIXUOGPTMLMYND-UHFFFAOYSA-N 0 1 250.411 3.613 20 0 CHADMN COc1ccc(CN(C)C2CCCC2)c(Br)c1 ZINC000567459519 1128565005 /nfs/dbraw/zinc/56/50/05/1128565005.db2.gz YWNZSMZLPWGYGE-UHFFFAOYSA-N 0 1 298.224 3.832 20 0 CHADMN CC[C@@]1(C)CCC[N@H+]([C@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000567479207 1128565558 /nfs/dbraw/zinc/56/55/58/1128565558.db2.gz QXLZXKOMMDYOKY-WBMJQRKESA-N 0 1 279.380 3.859 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000567595514 1128567713 /nfs/dbraw/zinc/56/77/13/1128567713.db2.gz KRKVIWNYBSUPAY-DUVNUKRYSA-N 0 1 293.382 3.647 20 0 CHADMN C[C@@H]1CCCC[C@@H]1Cc1nc(C2(N)CCCCC2)no1 ZINC000567890684 1128573604 /nfs/dbraw/zinc/57/36/04/1128573604.db2.gz UYAGOIFHJNAMNI-CHWSQXEVSA-N 0 1 277.412 3.557 20 0 CHADMN CCC(C)(C)[C@H]1CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000568067211 1128577234 /nfs/dbraw/zinc/57/72/34/1128577234.db2.gz OYRVZJJTXPFLNQ-GFCCVEGCSA-N 0 1 281.421 3.847 20 0 CHADMN C[C@@H]1CC(C)(C)C[N@H+]1Cc1cc(C(=O)[O-])ccc1Cl ZINC000568281678 1128581623 /nfs/dbraw/zinc/58/16/23/1128581623.db2.gz XGXVRNQRVHHMCE-SNVBAGLBSA-N 0 1 281.783 3.659 20 0 CHADMN CCCN(CC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000070981119 1128581746 /nfs/dbraw/zinc/58/17/46/1128581746.db2.gz SPNZUBKZQVRQOV-UHFFFAOYSA-N 0 1 289.206 3.664 20 0 CHADMN CC(C)c1ccc([C@H]2CCCN2Cc2ccnn2C)cc1 ZINC000130417924 1128582344 /nfs/dbraw/zinc/58/23/44/1128582344.db2.gz GRODEVQIYHFLNK-GOSISDBHSA-N 0 1 283.419 3.881 20 0 CHADMN CC1(C)CN(Cc2cc3ccccc3o2)[C@@H]1[C@@H]1CCCO1 ZINC000568568324 1128587562 /nfs/dbraw/zinc/58/75/62/1128587562.db2.gz PPIDQTCCCRQGRO-DLBZAZTESA-N 0 1 285.387 3.822 20 0 CHADMN C[C@@H](c1cccc2ccccc21)N1CCO[C@@H](CF)C1 ZINC000568602975 1128588502 /nfs/dbraw/zinc/58/85/02/1128588502.db2.gz RONCAMLVDAJDGC-ZFWWWQNUSA-N 0 1 273.351 3.571 20 0 CHADMN CC/C=C\CC[N@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000568648546 1128589187 /nfs/dbraw/zinc/58/91/87/1128589187.db2.gz HLMCYPHNFCFTHN-JGPFYOFESA-N 0 1 279.424 3.698 20 0 CHADMN Cc1ccc(-c2[nH][nH]c(=NC(=O)C3=CCCCCC3)c2C)o1 ZINC000568820243 1128591962 /nfs/dbraw/zinc/59/19/62/1128591962.db2.gz OWHYWLAJMBTHAZ-UHFFFAOYSA-N 0 1 299.374 3.537 20 0 CHADMN CC(C)[C@@H]1CCc2ccccc2[C@H]1NCc1cnccn1 ZINC000568841109 1128592883 /nfs/dbraw/zinc/59/28/83/1128592883.db2.gz IEJPZWHTXMAQCD-WMZOPIPTSA-N 0 1 281.403 3.526 20 0 CHADMN COCc1ccc(CN(C)[C@@H](C)c2ccc(C)cc2)o1 ZINC000130795628 1128594869 /nfs/dbraw/zinc/59/48/69/1128594869.db2.gz IURMETBEERRYPO-AWEZNQCLSA-N 0 1 273.376 3.927 20 0 CHADMN C[C@H](O)C[C@@H]1CCCN1Cc1csc(C2CCCC2)n1 ZINC000152622280 1128604488 /nfs/dbraw/zinc/60/44/88/1128604488.db2.gz BUEZBLMTYSSUPQ-WFASDCNBSA-N 0 1 294.464 3.536 20 0 CHADMN C[C@@H](NC[C@H]1CC[C@H](c2ccccc2)O1)c1cscn1 ZINC000569499494 1128605578 /nfs/dbraw/zinc/60/55/78/1128605578.db2.gz JAGIYLSURVWVJN-XNRPHZJLSA-N 0 1 288.416 3.714 20 0 CHADMN CCOc1ccc(CN(C)[C@@H](C)c2ccco2)cc1OC ZINC000131136946 1128606998 /nfs/dbraw/zinc/60/69/98/1128606998.db2.gz PXZJFPLPDRNBGK-ZDUSSCGKSA-N 0 1 289.375 3.880 20 0 CHADMN Fc1ccc(CN2CC[C@H](c3ccncc3)C2)c(Cl)c1 ZINC000569788543 1128608893 /nfs/dbraw/zinc/60/88/93/1128608893.db2.gz BMGSGCWATMWRCM-ZDUSSCGKSA-N 0 1 290.769 3.864 20 0 CHADMN Cc1n[nH]cc1CN[C@H](C)c1c(C)oc2ccccc21 ZINC000925465678 1128609570 /nfs/dbraw/zinc/60/95/70/1128609570.db2.gz ZBIFOEULHDWQMH-LLVKDONJSA-N 0 1 269.348 3.624 20 0 CHADMN COc1cccc(F)c1[C@@H](C)NC[C@@H](C)C(F)(F)F ZINC000569834624 1128610815 /nfs/dbraw/zinc/61/08/15/1128610815.db2.gz APBQTFHLQZPQIR-RKDXNWHRSA-N 0 1 279.277 3.683 20 0 CHADMN Cc1ccccc1-n1cc(CN([C@@H](C)C(C)C)C2CC2)nn1 ZINC000570435547 1128623303 /nfs/dbraw/zinc/62/33/03/1128623303.db2.gz WEKBTNYWTJHOFC-HNNXBMFYSA-N 0 1 298.434 3.585 20 0 CHADMN O=C([O-])C[N@@H+](CCCC1CCCC1)Cc1ccc(F)cc1 ZINC000570577098 1128626478 /nfs/dbraw/zinc/62/64/78/1128626478.db2.gz RJAKCLVEJLQTJU-UHFFFAOYSA-N 0 1 293.382 3.683 20 0 CHADMN Cc1ccc(-c2nnc([C@H](C)N3CCC[C@H](C)C3)o2)cc1 ZINC000072710323 1128629290 /nfs/dbraw/zinc/62/92/90/1128629290.db2.gz JPRNKNRYFWTJON-KBPBESRZSA-N 0 1 285.391 3.838 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@@H+](C)Cc1csc2ccccc12 ZINC000570689124 1128629742 /nfs/dbraw/zinc/62/97/42/1128629742.db2.gz IUTPNRHIDBBYME-CYBMUJFWSA-N 0 1 277.389 3.586 20 0 CHADMN CCC[C@H](C)[N@@H+](C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000570689497 1128629783 /nfs/dbraw/zinc/62/97/83/1128629783.db2.gz OIBVZKWZQNEVJU-JTQLQIEISA-N 0 1 269.772 3.659 20 0 CHADMN C[N@@H+](CCCCc1ccccc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000570851383 1128633332 /nfs/dbraw/zinc/63/33/32/1128633332.db2.gz HMLDCVCOCRDVFC-SFHVURJKSA-N 0 1 297.398 3.767 20 0 CHADMN Cc1cccc(CCC(=O)Nc2cc3cn[nH]c3cc2C)c1 ZINC000570876403 1128634405 /nfs/dbraw/zinc/63/44/05/1128634405.db2.gz YXVGWAGUVVCSLH-UHFFFAOYSA-N 0 1 293.370 3.751 20 0 CHADMN COCCN(Cc1cc(C(C)(C)C)on1)[C@@H]1CCC[C@@H]1C ZINC000571842061 1128639927 /nfs/dbraw/zinc/63/99/27/1128639927.db2.gz FQKGKHWBNSDZST-DZGCQCFKSA-N 0 1 294.439 3.609 20 0 CHADMN Cc1cccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c1C ZINC000572166664 1128642654 /nfs/dbraw/zinc/64/26/54/1128642654.db2.gz HIGBTVUVZUVGQI-UHFFFAOYSA-N 0 1 295.382 3.677 20 0 CHADMN Cc1cccc(CN2CCC3(C2)Oc2ccccc2O3)c1C ZINC000572166664 1128642656 /nfs/dbraw/zinc/64/26/56/1128642656.db2.gz HIGBTVUVZUVGQI-UHFFFAOYSA-N 0 1 295.382 3.677 20 0 CHADMN CCCn1cc(CN(Cc2ccco2)C2CCCC2)cn1 ZINC000132181828 1128644487 /nfs/dbraw/zinc/64/44/87/1128644487.db2.gz WVVIHWFXXCXWEM-UHFFFAOYSA-N 0 1 287.407 3.831 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C)CC3)n[nH]2)cc1 ZINC000499110561 1128650587 /nfs/dbraw/zinc/65/05/87/1128650587.db2.gz OLHHGCHPRQRYME-CYBMUJFWSA-N 0 1 297.402 3.647 20 0 CHADMN COCc1ccccc1/C=C(/C)CN1CCC[C@H]1CF ZINC000556950547 1128650633 /nfs/dbraw/zinc/65/06/33/1128650633.db2.gz CQJRMZMCTZKNLZ-QXSWTLKVSA-N 0 1 277.383 3.670 20 0 CHADMN Cc1ccsc1C[N@H+](C)[C@@H](C(=O)[O-])c1ccccc1C ZINC000572609293 1128646189 /nfs/dbraw/zinc/64/61/89/1128646189.db2.gz JSTRRHJLEWRYNZ-OAHLLOKOSA-N 0 1 289.400 3.623 20 0 CHADMN CC[C@@H]1C[C@@H](C)CN1Cc1cc(C(C)(C)C)on1 ZINC000572625534 1128646425 /nfs/dbraw/zinc/64/64/25/1128646425.db2.gz KJTIBBBBLRUYOL-DGCLKSJQSA-N 0 1 250.386 3.593 20 0 CHADMN C[C@H](CCc1ccco1)Nc1cc2c(cn1)CCC2 ZINC000556958478 1128651888 /nfs/dbraw/zinc/65/18/88/1128651888.db2.gz GGQPXEIAJPJTKS-GFCCVEGCSA-N 0 1 256.349 3.597 20 0 CHADMN COc1ccnc(CN2CCCCC[C@H]2c2ccco2)c1 ZINC000132534445 1128653559 /nfs/dbraw/zinc/65/35/59/1128653559.db2.gz PBMAKGSEARLKBJ-INIZCTEOSA-N 0 1 286.375 3.801 20 0 CHADMN Cc1ccc(-c2cc(-c3nc(C(C)C)no3)[nH]n2)c(C)c1 ZINC000573881540 1128658950 /nfs/dbraw/zinc/65/89/50/1128658950.db2.gz RQOZMBCDXLLURB-UHFFFAOYSA-N 0 1 282.347 3.867 20 0 CHADMN Cc1ccc(CN[C@H]2c3ccc(F)cc3O[C@@H]2C)cc1 ZINC000575212032 1128665748 /nfs/dbraw/zinc/66/57/48/1128665748.db2.gz FMUIPUFRLOMPFB-SJKOYZFVSA-N 0 1 271.335 3.746 20 0 CHADMN O=C(O[C@@H]1CCCc2ccccc21)c1[nH]nc2c1CCCC2 ZINC000920127780 1128666958 /nfs/dbraw/zinc/66/69/58/1128666958.db2.gz VJLJUUNVSUUIFJ-MRXNPFEDSA-N 0 1 296.370 3.523 20 0 CHADMN CC(C)[C@H](c1ccccc1)N(C)Cc1cnc(Cl)cn1 ZINC000799121888 1128667084 /nfs/dbraw/zinc/66/70/84/1128667084.db2.gz JUQOGQBOHWPDIG-MRXNPFEDSA-N 0 1 289.810 3.959 20 0 CHADMN CC(C)C[C@@H](C)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000557047750 1128663809 /nfs/dbraw/zinc/66/38/09/1128663809.db2.gz DVVAXJCLDAKWJV-CJNGLKHVSA-N 0 1 265.372 3.634 20 0 CHADMN CC(C)n1nccc1CN1CCc2ccccc2C1(C)C ZINC000799153160 1128675583 /nfs/dbraw/zinc/67/55/83/1128675583.db2.gz ZJCFZGUZOAFDQT-UHFFFAOYSA-N 0 1 283.419 3.757 20 0 CHADMN CC(C)(C)c1cnc(CN2CC[C@@H](c3ccco3)C2)o1 ZINC000600690308 1128678513 /nfs/dbraw/zinc/67/85/13/1128678513.db2.gz ZWKGJMPVMGGEQB-GFCCVEGCSA-N 0 1 274.364 3.555 20 0 CHADMN CC(C)[C@@H]1CCCN1Cn1ccn(C(C)C)c1=S ZINC000920484989 1128683769 /nfs/dbraw/zinc/68/37/69/1128683769.db2.gz MUMKKOLWQFAONY-ZDUSSCGKSA-N 0 1 267.442 3.678 20 0 CHADMN CCC[C@H](N)c1cc(-c2ccc(OCC)c(OC)c2)no1 ZINC000901385721 1128686847 /nfs/dbraw/zinc/68/68/47/1128686847.db2.gz UFCOJLHKDLYZDI-LBPRGKRZSA-N 0 1 290.363 3.549 20 0 CHADMN C[C@H](c1ccccc1)N1CCN([C@H](C)c2ccccn2)CC1 ZINC000159404698 1128688539 /nfs/dbraw/zinc/68/85/39/1128688539.db2.gz YADVWEFVLNQSKP-IAGOWNOFSA-N 0 1 295.430 3.521 20 0 CHADMN CC(C)C[C@@H](C)C[C@@H](C)NCc1nccnc1Cl ZINC001258050880 1128695834 /nfs/dbraw/zinc/69/58/34/1128695834.db2.gz HFFGUHCJNVSTMH-VXGBXAGGSA-N 0 1 269.820 3.680 20 0 CHADMN Cc1[nH]ncc1CNc1cccc(C(F)(F)F)c1C ZINC000159427738 1128690526 /nfs/dbraw/zinc/69/05/26/1128690526.db2.gz BWOGGDZBTKTNLS-UHFFFAOYSA-N 0 1 269.270 3.657 20 0 CHADMN C[C@H](Cc1c(Cl)cccc1Cl)NCc1ncccn1 ZINC000577964528 1128701151 /nfs/dbraw/zinc/70/11/51/1128701151.db2.gz PCEWFMWGYDIFPT-SNVBAGLBSA-N 0 1 296.201 3.504 20 0 CHADMN CC[N@@H+](CC1CCCCC1)C1CCC(C(=O)[O-])CC1 ZINC000577964889 1128701301 /nfs/dbraw/zinc/70/13/01/1128701301.db2.gz XRKPLTKGRHGZKV-UHFFFAOYSA-N 0 1 267.413 3.532 20 0 CHADMN Clc1cnn(CN2CCC[C@H]2C2CCCCC2)c1 ZINC000921186667 1128702400 /nfs/dbraw/zinc/70/24/00/1128702400.db2.gz JNRTUQFTXZLKPC-AWEZNQCLSA-N 0 1 267.804 3.539 20 0 CHADMN CCc1nc([C@@H](C)N[C@@H]2C[C@@H]2c2ccccc2)cs1 ZINC000411535985 1128703167 /nfs/dbraw/zinc/70/31/67/1128703167.db2.gz RTUOAXJAHSYRNI-MRVWCRGKSA-N 0 1 272.417 3.912 20 0 CHADMN Fc1cccc(CN2CC[C@@H]3CCC[C@H]32)c1Br ZINC000378717002 1128716038 /nfs/dbraw/zinc/71/60/38/1128716038.db2.gz ALMRFYSZGNQATA-GXFFZTMASA-N 0 1 298.199 3.963 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1cc(C(=O)OC)co1 ZINC000609625668 1128719885 /nfs/dbraw/zinc/71/98/85/1128719885.db2.gz MVMWGQRKOCDTIH-QGZVFWFLSA-N 0 1 299.370 3.576 20 0 CHADMN CC(C)C[C@H](C)C[C@H](C)[NH2+]CC(=O)c1ccc([O-])cc1 ZINC001258060782 1128720354 /nfs/dbraw/zinc/72/03/54/1128720354.db2.gz LELUXRXVIBELEH-KBPBESRZSA-N 0 1 277.408 3.625 20 0 CHADMN CC(C)C[C@H](C)C[C@H](C)NCc1nccc(OC(C)C)n1 ZINC001258061921 1128724653 /nfs/dbraw/zinc/72/46/53/1128724653.db2.gz IODGEPJHJCJXAZ-GJZGRUSLSA-N 0 1 293.455 3.814 20 0 CHADMN CCN(Cc1cscn1)[C@H](C)Cc1ccc(OC)cc1 ZINC000171837700 1128726389 /nfs/dbraw/zinc/72/63/89/1128726389.db2.gz RVTAUYZZLZKKJR-CYBMUJFWSA-N 0 1 290.432 3.605 20 0 CHADMN Cc1ncncc1[C@H](C)NCc1ccc(C2CC2)cc1 ZINC000578786153 1128729069 /nfs/dbraw/zinc/72/90/69/1128729069.db2.gz AVOTUPZTGYFZNG-LBPRGKRZSA-N 0 1 267.376 3.513 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)[C@@H]1CO ZINC000578820827 1128729921 /nfs/dbraw/zinc/72/99/21/1128729921.db2.gz PSODKWBZAOTRKS-QMTHXVAHSA-N 0 1 288.218 3.586 20 0 CHADMN CC[C@@H](NCc1c(C)noc1C)c1ccc(C)cc1 ZINC000034996361 1117759301 /nfs/dbraw/zinc/75/93/01/1117759301.db2.gz PFBPBSCWQKCHKE-MRXNPFEDSA-N 0 1 258.365 3.841 20 0 CHADMN CC(C)[C@H](NCc1ccccn1)c1ccc(F)cc1 ZINC000035016335 1117760960 /nfs/dbraw/zinc/76/09/60/1117760960.db2.gz CULCTWXZQMPJBT-INIZCTEOSA-N 0 1 258.340 3.708 20 0 CHADMN CCOc1ccc([C@H](C)NCc2c(C)noc2C)cc1 ZINC000035052947 1117764411 /nfs/dbraw/zinc/76/44/11/1117764411.db2.gz IYJGPZLAVNHIOC-NSHDSACASA-N 0 1 274.364 3.541 20 0 CHADMN CC[C@@H]1CN(C2c3ccccc3-c3ccccc32)CCO1 ZINC000063493264 1117772026 /nfs/dbraw/zinc/77/20/26/1117772026.db2.gz SDCCEYMKPYPOBL-CQSZACIVSA-N 0 1 279.383 3.867 20 0 CHADMN Cc1cc([C@@H](C)[N@H+]2CCCc3ccccc3C2)oc1C(=O)[O-] ZINC000578995564 1128734879 /nfs/dbraw/zinc/73/48/79/1128734879.db2.gz OFUILPHTNYGCGJ-CYBMUJFWSA-N 0 1 299.370 3.796 20 0 CHADMN Cc1nc(CN2CC[C@@H](C)C[C@H]2C)nc2ccccc12 ZINC000578998819 1128734894 /nfs/dbraw/zinc/73/48/94/1128734894.db2.gz HARSJJWVXOFYSN-CHWSQXEVSA-N 0 1 269.392 3.559 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1cn(C)nc1C(F)F ZINC000274635238 1117776629 /nfs/dbraw/zinc/77/66/29/1117776629.db2.gz ZZURXIQUVRZYQC-JTQLQIEISA-N 0 1 297.324 3.690 20 0 CHADMN O=C(c1c(O)cccc1F)N1CCC[C@@H]1c1ccsc1 ZINC000274639675 1117777638 /nfs/dbraw/zinc/77/76/38/1117777638.db2.gz YUTHKOZMPFWRHL-GFCCVEGCSA-N 0 1 291.347 3.570 20 0 CHADMN OCC[C@@H](N[C@H](c1ccc(F)cc1)C1CC1)c1ccco1 ZINC000274650404 1117781228 /nfs/dbraw/zinc/78/12/28/1117781228.db2.gz LGSWWMUVBDDMFL-WBVHZDCISA-N 0 1 289.350 3.583 20 0 CHADMN Cc1ccc(NC(=O)CN(C)C(C)(C)c2ccccc2)cc1 ZINC000671246740 1117784969 /nfs/dbraw/zinc/78/49/69/1117784969.db2.gz XFARGGJFNSQKFL-UHFFFAOYSA-N 0 1 296.414 3.801 20 0 CHADMN CCc1[nH]ncc1C(=O)Nc1cc(C)cc(C(F)(F)F)c1 ZINC000683138604 1117790957 /nfs/dbraw/zinc/79/09/57/1117790957.db2.gz WNTZSBZNUFUZLM-UHFFFAOYSA-N 0 1 297.280 3.552 20 0 CHADMN CCC[C@@H](CC)C(=O)Nc1cc(F)cc(Cl)c1O ZINC001625783313 1117797152 /nfs/dbraw/zinc/79/71/52/1117797152.db2.gz QJJBOOKPKGQLJX-MRVPVSSYSA-N 0 1 273.735 3.950 20 0 CHADMN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cc(F)cc(Cl)c1O ZINC001625783738 1117797239 /nfs/dbraw/zinc/79/72/39/1117797239.db2.gz ZTNFLQQXQNZNGE-TURQNECASA-N 0 1 297.757 3.805 20 0 CHADMN C[C@H](c1ccccn1)N(C)C[C@@H]1CCC2(CCCC2)O1 ZINC000530463005 1117809640 /nfs/dbraw/zinc/80/96/40/1117809640.db2.gz RHXPPJKZJNIQDY-CABCVRRESA-N 0 1 274.408 3.566 20 0 CHADMN CCc1c(N[C@@H](C)c2cn[nH]c2C)cnn1CCC(C)C ZINC000683158857 1117811950 /nfs/dbraw/zinc/81/19/50/1117811950.db2.gz OYSSKIBAYYSJFI-LBPRGKRZSA-N 0 1 289.427 3.696 20 0 CHADMN c1cc([C@@H]2CCCCN2CCSc2ccccc2)n[nH]1 ZINC000510073030 1117820797 /nfs/dbraw/zinc/82/07/97/1117820797.db2.gz NTBYNRUGQXSSTP-INIZCTEOSA-N 0 1 287.432 3.729 20 0 CHADMN CCc1ccc(NC(=O)[C@H]2C[C@@H](C)Cc3cn[nH]c32)cc1C ZINC000623207620 1117823614 /nfs/dbraw/zinc/82/36/14/1117823614.db2.gz YJOMYUONHJFPDV-ZBEGNZNMSA-N 0 1 297.402 3.585 20 0 CHADMN CCc1cnc(CN(C)C[C@H](C)C(C)(C)C)s1 ZINC000670265201 1117825100 /nfs/dbraw/zinc/82/51/00/1117825100.db2.gz XUNQPNIFYGFVSB-NSHDSACASA-N 0 1 254.443 3.820 20 0 CHADMN CCC1CC(N[C@@H](C)c2nc(-c3cccc(F)c3)no2)C1 ZINC000671307476 1117826241 /nfs/dbraw/zinc/82/62/41/1117826241.db2.gz NHUQVXOGVMDUNN-IFQILLTASA-N 0 1 289.354 3.715 20 0 CHADMN CCN(C)c1ccc(CN(CC)[C@@H](C)c2cccnc2)cn1 ZINC000579041778 1128737243 /nfs/dbraw/zinc/73/72/43/1128737243.db2.gz ZJQUUAKGFHIPJS-HNNXBMFYSA-N 0 1 298.434 3.516 20 0 CHADMN CC[C@H]1CCN1Cc1cnc(C2CCCC2)s1 ZINC000430193410 1117834422 /nfs/dbraw/zinc/83/44/22/1117834422.db2.gz FYZLURWBLSXUMU-LBPRGKRZSA-N 0 1 250.411 3.785 20 0 CHADMN CCc1nn(C)c(CC)c1CNCc1cc2ccccc2o1 ZINC000169254419 1117841045 /nfs/dbraw/zinc/84/10/45/1117841045.db2.gz KNJVKHSZFCLQKO-UHFFFAOYSA-N 0 1 297.402 3.581 20 0 CHADMN CC1(C)Cc2cccc(NCc3ccc4nc[nH]c4c3)c2O1 ZINC000530492505 1117843487 /nfs/dbraw/zinc/84/34/87/1117843487.db2.gz GUAZDGAEPYQJGQ-UHFFFAOYSA-N 0 1 293.370 3.889 20 0 CHADMN C[C@H]1CCc2nc(CNc3cc4c(cn3)CCC4)sc2C1 ZINC000339553968 1117850723 /nfs/dbraw/zinc/85/07/23/1117850723.db2.gz JQXUESBZDQOULK-NSHDSACASA-N 0 1 299.443 3.764 20 0 CHADMN c1oc(-c2ccccc2)nc1CNc1cc2c(cn1)CCC2 ZINC000339557509 1117854348 /nfs/dbraw/zinc/85/43/48/1117854348.db2.gz SEGLDGODUMIXSZ-UHFFFAOYSA-N 0 1 291.354 3.837 20 0 CHADMN Clc1ccccc1CNc1cc2c(cn1)CCC2 ZINC000339557488 1117854370 /nfs/dbraw/zinc/85/43/70/1117854370.db2.gz QYTQMZAMTGHTSL-UHFFFAOYSA-N 0 1 258.752 3.836 20 0 CHADMN c1cc2cccc(CNc3cc4c(cn3)CCC4)c2[nH]1 ZINC000339557461 1117854624 /nfs/dbraw/zinc/85/46/24/1117854624.db2.gz YIUNPFSSMVEILS-UHFFFAOYSA-N 0 1 263.344 3.664 20 0 CHADMN Fc1c(Cl)cccc1CNc1cc2c(cn1)CCC2 ZINC000339557424 1117855113 /nfs/dbraw/zinc/85/51/13/1117855113.db2.gz WXZQHDQQUCSDCH-UHFFFAOYSA-N 0 1 276.742 3.975 20 0 CHADMN Clc1ccc(CNc2cc3c(cn2)CCC3)s1 ZINC000339557550 1117856240 /nfs/dbraw/zinc/85/62/40/1117856240.db2.gz ZLYUDJQXLHWCGS-UHFFFAOYSA-N 0 1 264.781 3.897 20 0 CHADMN CC(C)NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000623433358 1117856230 /nfs/dbraw/zinc/85/62/30/1117856230.db2.gz WIJBYCIKABSDBS-AWEZNQCLSA-N 0 1 290.451 3.502 20 0 CHADMN CC(C)NC(=O)CN(C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000623433358 1117856235 /nfs/dbraw/zinc/85/62/35/1117856235.db2.gz WIJBYCIKABSDBS-AWEZNQCLSA-N 0 1 290.451 3.502 20 0 CHADMN Fc1ccc(F)c(CN[C@@H]2CCCSC2)c1Cl ZINC000623439526 1117857261 /nfs/dbraw/zinc/85/72/61/1117857261.db2.gz NAXGGNRXZLUUEC-MRVPVSSYSA-N 0 1 277.767 3.603 20 0 CHADMN C[C@@H](NCc1cccc2nccn21)c1ccccc1Cl ZINC000339559146 1117858272 /nfs/dbraw/zinc/85/82/72/1117858272.db2.gz SCBVOLZUXMXIIT-GFCCVEGCSA-N 0 1 285.778 3.839 20 0 CHADMN CO[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])C(C)(C)C ZINC000185617430 1117860664 /nfs/dbraw/zinc/86/06/64/1117860664.db2.gz AYWAEVQMBQHFJJ-YGRLFVJLSA-N 0 1 285.815 3.757 20 0 CHADMN C/C=C\CN[C@H](C)c1ccccc1Br ZINC000308402555 1117869934 /nfs/dbraw/zinc/86/99/34/1117869934.db2.gz YYYBELAASZJGBB-UMBAGQNISA-N 0 1 254.171 3.676 20 0 CHADMN Cc1nonc1CN1CC[C@H](Cc2ccc(C(C)C)cc2)C1 ZINC000763958498 1117869991 /nfs/dbraw/zinc/86/99/91/1117869991.db2.gz VWQHAUBIGIHJBJ-MRXNPFEDSA-N 0 1 299.418 3.566 20 0 CHADMN ClC(Cl)(Cl)CCSc1nc(C2CC2)n[nH]1 ZINC000185691369 1117871309 /nfs/dbraw/zinc/87/13/09/1117871309.db2.gz MLAHRPSRGJFQGB-UHFFFAOYSA-N 0 1 286.615 3.535 20 0 CHADMN ClC(Cl)(Cl)CCSc1n[nH]c(C2CC2)n1 ZINC000185691369 1117871313 /nfs/dbraw/zinc/87/13/13/1117871313.db2.gz MLAHRPSRGJFQGB-UHFFFAOYSA-N 0 1 286.615 3.535 20 0 CHADMN C[C@@H]([NH2+]C[C@@H]1CCCS1)c1cc(Cl)ccc1[O-] ZINC000185697543 1117873330 /nfs/dbraw/zinc/87/33/30/1117873330.db2.gz YQGGZVAGKVUMGT-KOLCDFICSA-N 0 1 271.813 3.592 20 0 CHADMN CCC[C@@H](CNCc1ncc(C(C)C)s1)OCC ZINC000623598577 1117878093 /nfs/dbraw/zinc/87/80/93/1117878093.db2.gz HBXASYITDXYXNB-LBPRGKRZSA-N 0 1 270.442 3.561 20 0 CHADMN COc1ccsc1CN[C@@H](c1ccccn1)C1CCC1 ZINC000623639198 1117879635 /nfs/dbraw/zinc/87/96/35/1117879635.db2.gz FAGZFRVVOFWBPW-MRXNPFEDSA-N 0 1 288.416 3.783 20 0 CHADMN CCOCc1ccc(CN[C@H](C)c2ccoc2)cc1 ZINC000177913093 1117882740 /nfs/dbraw/zinc/88/27/40/1117882740.db2.gz ICLPYJBQUVPENL-CYBMUJFWSA-N 0 1 259.349 3.667 20 0 CHADMN COCC[N@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000430215919 1117885100 /nfs/dbraw/zinc/88/51/00/1117885100.db2.gz FQIVYSFIPHDGNL-AWEZNQCLSA-N 0 1 298.224 3.541 20 0 CHADMN COCCN1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000430215919 1117885103 /nfs/dbraw/zinc/88/51/03/1117885103.db2.gz FQIVYSFIPHDGNL-AWEZNQCLSA-N 0 1 298.224 3.541 20 0 CHADMN Cc1ccn(-c2ccccc2CN[C@H](C)c2ccoc2)n1 ZINC000178283058 1117890739 /nfs/dbraw/zinc/89/07/39/1117890739.db2.gz FFMZXNQWLZMLAJ-CQSZACIVSA-N 0 1 281.359 3.625 20 0 CHADMN F[C@H]1CCC[C@H]1NCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000339586048 1117890884 /nfs/dbraw/zinc/89/08/84/1117890884.db2.gz FFZYOPIZHCHAFX-LSDHHAIUSA-N 0 1 293.773 3.506 20 0 CHADMN Fc1cc(-c2ccncc2)ccc1CN[C@H]1CCC[C@H]1F ZINC000339587759 1117892320 /nfs/dbraw/zinc/89/23/20/1117892320.db2.gz TUUCLCGFLXKYBC-WBVHZDCISA-N 0 1 288.341 3.868 20 0 CHADMN CCOc1ccc([C@H](C)N[C@@H](C)c2cnc(C)nc2C)cc1 ZINC000119376205 1117894041 /nfs/dbraw/zinc/89/40/41/1117894041.db2.gz BJFHOFNPVAUOQD-STQMWFEESA-N 0 1 299.418 3.904 20 0 CHADMN CCOc1ccc([C@@H](C)N[C@H](C)c2cnc(C)nc2C)cc1 ZINC000119376316 1117894077 /nfs/dbraw/zinc/89/40/77/1117894077.db2.gz BJFHOFNPVAUOQD-CHWSQXEVSA-N 0 1 299.418 3.904 20 0 CHADMN FC(c1nc(-c2ccn3cncc3c2)no1)=C1CCCC1 ZINC000349708567 1117901617 /nfs/dbraw/zinc/90/16/17/1117901617.db2.gz DIGYAAGOVSHGEA-UHFFFAOYSA-N 0 1 284.294 3.639 20 0 CHADMN CC(C)(CC[N@H+]1Cc2cccnc2C1)c1ccccc1 ZINC001208663682 1117902869 /nfs/dbraw/zinc/90/28/69/1117902869.db2.gz OVCNLVZRRPHJBL-UHFFFAOYSA-N 0 1 266.388 3.765 20 0 CHADMN CC(C)(CCN1Cc2cccnc2C1)c1ccccc1 ZINC001208663682 1117902871 /nfs/dbraw/zinc/90/28/71/1117902871.db2.gz OVCNLVZRRPHJBL-UHFFFAOYSA-N 0 1 266.388 3.765 20 0 CHADMN CC(C)CC(=O)N1CCN(CC[C@H](C)CC(C)(C)C)CC1 ZINC001208667001 1117904072 /nfs/dbraw/zinc/90/40/72/1117904072.db2.gz WTCVBDKPTYLRAQ-INIZCTEOSA-N 0 1 296.499 3.639 20 0 CHADMN Cc1cccc([C@@H](NCc2nccnc2C)C(C)C)c1 ZINC000623730947 1117904136 /nfs/dbraw/zinc/90/41/36/1117904136.db2.gz FJWYSAFXKZCZDM-KRWDZBQOSA-N 0 1 269.392 3.580 20 0 CHADMN C[C@H](c1ccco1)[N@H+](C)Cc1cccc(C(=O)[O-])c1Cl ZINC000579842801 1117907110 /nfs/dbraw/zinc/90/71/10/1117907110.db2.gz PUUSHWIFQBADJD-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN C[C@H](c1ccco1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1Cl ZINC000579842801 1117907112 /nfs/dbraw/zinc/90/71/12/1117907112.db2.gz PUUSHWIFQBADJD-SNVBAGLBSA-N 0 1 293.750 3.824 20 0 CHADMN C[C@H]1CC[C@H](CC(=O)Nc2c(=O)[nH][nH]c2-c2ccccc2)C1 ZINC000615283540 1128743110 /nfs/dbraw/zinc/74/31/10/1128743110.db2.gz YEEMEXSUYYSXBC-RYUDHWBXSA-N 0 1 299.374 3.547 20 0 CHADMN Cc1ncc(CN[C@H]2CCCc3ccc(Cl)cc32)cn1 ZINC000623751344 1117918187 /nfs/dbraw/zinc/91/81/87/1117918187.db2.gz UCXBOHHLFQBZIF-INIZCTEOSA-N 0 1 287.794 3.606 20 0 CHADMN C[C@@H](c1cccs1)c1nc(-c2ccn3cncc3c2)no1 ZINC000351075078 1117925772 /nfs/dbraw/zinc/92/57/72/1117925772.db2.gz HCDLUAJKTAHVMW-JTQLQIEISA-N 0 1 296.355 3.598 20 0 CHADMN C[C@@H](c1ccsc1)c1nc(-c2ccn3cncc3c2)no1 ZINC000351071162 1117925894 /nfs/dbraw/zinc/92/58/94/1117925894.db2.gz DCGHOZPGTAWXGW-JTQLQIEISA-N 0 1 296.355 3.598 20 0 CHADMN CC[C@@H]1CCC[C@@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000351105288 1117926758 /nfs/dbraw/zinc/92/67/58/1117926758.db2.gz ASNZJZJGGWOLFG-RISCZKNCSA-N 0 1 282.347 3.678 20 0 CHADMN Cc1nc2c(o1)CCN([C@@H](C)C[C@@H](C)CC(C)C)C2 ZINC001258076660 1128744419 /nfs/dbraw/zinc/74/44/19/1128744419.db2.gz GTMJIAKJKWVZOI-STQMWFEESA-N 0 1 264.413 3.802 20 0 CHADMN O=C(C/C=C/Cc1ccccc1)Nc1ccc2nc[nH]c2c1 ZINC001625807027 1117928048 /nfs/dbraw/zinc/92/80/48/1117928048.db2.gz LIBYTSLJGIGOLK-SNAWJCMRSA-N 0 1 291.354 3.690 20 0 CHADMN O=C(C/C=C\Cc1ccccc1)Nc1ccc2nc[nH]c2c1 ZINC001625807026 1117928064 /nfs/dbraw/zinc/92/80/64/1117928064.db2.gz LIBYTSLJGIGOLK-PLNGDYQASA-N 0 1 291.354 3.690 20 0 CHADMN CN1CC=C(Nc2c(Cl)cnc(Cl)c2Cl)CC1 ZINC001208795274 1117936094 /nfs/dbraw/zinc/93/60/94/1117936094.db2.gz YOZHHENICBLRER-UHFFFAOYSA-N 0 1 292.597 3.673 20 0 CHADMN Cc1cc(-c2noc(C(F)=C3CCC3)n2)cc2nc[nH]c21 ZINC000351362001 1117936646 /nfs/dbraw/zinc/93/66/46/1117936646.db2.gz VRXMPDJIFFLNAX-UHFFFAOYSA-N 0 1 284.294 3.786 20 0 CHADMN CCN(Cc1ccccc1C)C(=O)c1[nH]nc2ccccc21 ZINC000045393524 1117936716 /nfs/dbraw/zinc/93/67/16/1117936716.db2.gz SLWZIZNIWLUXQO-UHFFFAOYSA-N 0 1 293.370 3.534 20 0 CHADMN COc1ccccc1[C@@H](N[C@@H]1CCCOC1)c1ccccc1 ZINC000180694908 1117938078 /nfs/dbraw/zinc/93/80/78/1117938078.db2.gz TWPAAZJKWZLFMD-APWZRJJASA-N 0 1 297.398 3.553 20 0 CHADMN COc1ncc(CNCc2cccc(C(C)C)c2)s1 ZINC000639059189 1117941091 /nfs/dbraw/zinc/94/10/91/1117941091.db2.gz AXPJAAYPNIGBIK-UHFFFAOYSA-N 0 1 276.405 3.565 20 0 CHADMN C[N@@H+]1CC=C(Nc2c(Cl)cccc2C(F)(F)F)CC1 ZINC001208859694 1117941230 /nfs/dbraw/zinc/94/12/30/1117941230.db2.gz XOCLYUYCHZZNOZ-UHFFFAOYSA-N 0 1 290.716 3.990 20 0 CHADMN C[C@H](NCc1ccnn1C)c1ccc(C(C)(C)C)cc1 ZINC000036921674 1117941292 /nfs/dbraw/zinc/94/12/92/1117941292.db2.gz LBKDFPJNEGOERK-ZDUSSCGKSA-N 0 1 271.408 3.568 20 0 CHADMN Cc1occc1CNCc1ccccc1CC(F)(F)F ZINC000623821866 1117942652 /nfs/dbraw/zinc/94/26/52/1117942652.db2.gz JQANPHGAYUHMSR-UHFFFAOYSA-N 0 1 283.293 3.983 20 0 CHADMN Fc1ccc(F)c([C@H]2CCCN2C[C@@H]2CCC=CO2)c1 ZINC001208880195 1117945003 /nfs/dbraw/zinc/94/50/03/1117945003.db2.gz JYWRLTFFBMZRAQ-XJKSGUPXSA-N 0 1 279.330 3.794 20 0 CHADMN CC1=C[C@H](C)CN(Cc2cccc(OC(C)(C)C)n2)C1 ZINC000430261698 1117950451 /nfs/dbraw/zinc/95/04/51/1117950451.db2.gz JZTKXKBYCNVEMH-ZDUSSCGKSA-N 0 1 274.408 3.657 20 0 CHADMN CCC[C@H](NCc1nccn1C)c1cc(C)sc1C ZINC000623885975 1117952031 /nfs/dbraw/zinc/95/20/31/1117952031.db2.gz NIBWUUHLIWHNFA-AWEZNQCLSA-N 0 1 277.437 3.729 20 0 CHADMN c1nc2c(s1)CCC[C@@H]2N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000623916980 1117953874 /nfs/dbraw/zinc/95/38/74/1117953874.db2.gz DNMRHXJDAHVQPK-QLFBSQMISA-N 0 1 284.428 3.741 20 0 CHADMN CCCCCC[C@H](C)CC(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC001266318398 1117954395 /nfs/dbraw/zinc/95/43/95/1117954395.db2.gz QMCLYZNEZYGKBB-HRCADAONSA-N 0 1 282.472 3.534 20 0 CHADMN Cc1cc(C)cc(NC(=O)[C@@H](C)N2CC(C)=C[C@@H](C)C2)c1 ZINC000430265316 1117959783 /nfs/dbraw/zinc/95/97/83/1117959783.db2.gz UTUUCTUQRVWYRJ-GDBMZVCRSA-N 0 1 286.419 3.528 20 0 CHADMN CC(C)[C@@]1(CO)CCCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000339700406 1117960751 /nfs/dbraw/zinc/96/07/51/1117960751.db2.gz JJWOIUHMQVWJPK-INIZCTEOSA-N 0 1 299.817 3.710 20 0 CHADMN Cc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1C ZINC000200141832 1117960826 /nfs/dbraw/zinc/96/08/26/1117960826.db2.gz QBTKPMYBPGMTDQ-UHFFFAOYSA-N 0 1 294.442 3.621 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)C[C@H](C)C(F)(F)F ZINC001208906408 1117962057 /nfs/dbraw/zinc/96/20/57/1117962057.db2.gz WCHJEZNGDSGGGE-WDEREUQCSA-N 0 1 275.314 3.886 20 0 CHADMN CO[C@H](C)c1nc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)cs1 ZINC000339709173 1117964735 /nfs/dbraw/zinc/96/47/35/1117964735.db2.gz CEZHAWRJSBDOMI-BNOWGMLFSA-N 0 1 294.464 3.861 20 0 CHADMN COc1cc2c(cc1Cl)CN(CCCOC(C)C)CC2 ZINC000339736276 1117967005 /nfs/dbraw/zinc/96/70/05/1117967005.db2.gz RCUQAMXZZZSNOR-UHFFFAOYSA-N 0 1 297.826 3.522 20 0 CHADMN Fc1ccccc1[C@@H]1C[C@H]1N[C@H]1CCCc2scnc21 ZINC000623999733 1117968112 /nfs/dbraw/zinc/96/81/12/1117968112.db2.gz ZTRKLEUJHGGSNR-FPMFFAJLSA-N 0 1 288.391 3.805 20 0 CHADMN COc1ccc(CN2CC(C)=C[C@H](C)C2)cc1Cl ZINC000430270589 1117969312 /nfs/dbraw/zinc/96/93/12/1117969312.db2.gz VRNLFNGTIBBCHK-NSHDSACASA-N 0 1 265.784 3.747 20 0 CHADMN CC[C@H](C)Oc1cc(CNCc2ccoc2)ccc1OC ZINC000624019458 1117971294 /nfs/dbraw/zinc/97/12/94/1117971294.db2.gz RBWBVRXWKOGJEL-ZDUSSCGKSA-N 0 1 289.375 3.755 20 0 CHADMN FC(F)[C@@H](CCc1ccccc1)NCC[C@H]1CCCOC1 ZINC000624036427 1117973695 /nfs/dbraw/zinc/97/36/95/1117973695.db2.gz LSWMCIHEIXXWJU-HZPDHXFCSA-N 0 1 297.389 3.659 20 0 CHADMN C[C@H]1CCCC[N@H+](Cc2cccc([O-])c2Br)C1 ZINC000705477554 1117973713 /nfs/dbraw/zinc/97/37/13/1117973713.db2.gz OPOPBNHSUVHJPV-NSHDSACASA-N 0 1 298.224 3.777 20 0 CHADMN C[C@H]1CCCC[N@@H+](Cc2cccc([O-])c2Br)C1 ZINC000705477554 1117973716 /nfs/dbraw/zinc/97/37/16/1117973716.db2.gz OPOPBNHSUVHJPV-NSHDSACASA-N 0 1 298.224 3.777 20 0 CHADMN CCC[C@@H](NCc1cnnn1CC)c1cc(C)sc1C ZINC000624025982 1117974647 /nfs/dbraw/zinc/97/46/47/1117974647.db2.gz WZQWHFZFNMVLQB-OAHLLOKOSA-N 0 1 292.452 3.607 20 0 CHADMN Cc1cc2cc(CN[C@@H](C)c3cn[nH]c3)oc2cc1C ZINC000339794217 1117975492 /nfs/dbraw/zinc/97/54/92/1117975492.db2.gz KFTQNLNABKWMQS-LBPRGKRZSA-N 0 1 269.348 3.624 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@@H]1CC[C@@H](F)C1 ZINC000579396485 1128747641 /nfs/dbraw/zinc/74/76/41/1128747641.db2.gz YWQWZHWYFZBZPS-NXEZZACHSA-N 0 1 278.302 3.685 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2[C@@H](c3ccccc3)C2(C)C)no1 ZINC000624069763 1117978243 /nfs/dbraw/zinc/97/82/43/1117978243.db2.gz WACSFGFXIMTFOP-DAXOMENPSA-N 0 1 270.376 3.826 20 0 CHADMN CC1=C[C@@H](C)CN([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000430279954 1117990976 /nfs/dbraw/zinc/99/09/76/1117990976.db2.gz NYVZYVHDPLVHRV-YPMHNXCESA-N 0 1 292.810 3.565 20 0 CHADMN CC(C)[C@@H]1C[C@H](N[C@H](C)c2ccn(C)n2)c2ccccc21 ZINC000624169299 1117992662 /nfs/dbraw/zinc/99/26/62/1117992662.db2.gz BURFZWHPPRDONE-SKDZVZGDSA-N 0 1 283.419 3.955 20 0 CHADMN Cc1cnn(CCCCCNC2(C(F)F)CCCCC2)c1 ZINC000510147366 1117993140 /nfs/dbraw/zinc/99/31/40/1117993140.db2.gz YNCHKWKJAFGSDC-UHFFFAOYSA-N 0 1 299.409 3.919 20 0 CHADMN CC1=C[C@H](C)CN(Cc2nc3ccccc3s2)C1 ZINC000430284294 1117993932 /nfs/dbraw/zinc/99/39/32/1117993932.db2.gz LLXZDGIBLZXGGO-NSHDSACASA-N 0 1 258.390 3.694 20 0 CHADMN CCc1nnc(CN[C@H](C)CCc2cccc(C)c2)s1 ZINC000353581444 1117995081 /nfs/dbraw/zinc/99/50/81/1117995081.db2.gz ZBQFYQCCXYNUBZ-CYBMUJFWSA-N 0 1 289.448 3.520 20 0 CHADMN COCc1ccc(CN2CCc3cc(F)ccc3C2)cc1 ZINC000181447269 1117999607 /nfs/dbraw/zinc/99/96/07/1117999607.db2.gz CEBNUAKWEZHKHF-UHFFFAOYSA-N 0 1 285.362 3.530 20 0 CHADMN CCc1nnc(SCc2cc(C(C)C)ccc2OC)[nH]1 ZINC000655474277 1117999889 /nfs/dbraw/zinc/99/98/89/1117999889.db2.gz ZYZRPAZTBKIHBL-UHFFFAOYSA-N 0 1 291.420 3.791 20 0 CHADMN CCc1n[nH]c(SCc2cc(C(C)C)ccc2OC)n1 ZINC000655474277 1117999892 /nfs/dbraw/zinc/99/98/92/1117999892.db2.gz ZYZRPAZTBKIHBL-UHFFFAOYSA-N 0 1 291.420 3.791 20 0 CHADMN Oc1cccc(CNCc2cccc(OC(F)(F)F)c2)c1 ZINC000076399129 1118001537 /nfs/dbraw/zinc/00/15/37/1118001537.db2.gz IZFQQQXAXYVKKM-UHFFFAOYSA-N 0 1 297.276 3.581 20 0 CHADMN N#CC(C(=O)C=CC1CC1)c1nc(-c2ccccc2)cs1 ZINC000076837867 1118004049 /nfs/dbraw/zinc/00/40/49/1118004049.db2.gz VIEJMVSEYFNPQI-VFNNOXKTSA-N 0 1 294.379 3.953 20 0 CHADMN N#CC(=C(O)C=CC1CC1)c1nc(-c2ccccc2)cs1 ZINC000076837867 1118004051 /nfs/dbraw/zinc/00/40/51/1118004051.db2.gz VIEJMVSEYFNPQI-VFNNOXKTSA-N 0 1 294.379 3.953 20 0 CHADMN N#C[C@@H](C(=O)C=CC1CC1)c1nc(-c2ccccc2)cs1 ZINC000076837867 1118004057 /nfs/dbraw/zinc/00/40/57/1118004057.db2.gz VIEJMVSEYFNPQI-VFNNOXKTSA-N 0 1 294.379 3.953 20 0 CHADMN Fc1cccc2c1SCC[C@H]2NCc1ccns1 ZINC000404269903 1118005869 /nfs/dbraw/zinc/00/58/69/1118005869.db2.gz HVDVUMOSFDYSIB-GFCCVEGCSA-N 0 1 280.393 3.609 20 0 CHADMN COc1ccccc1[C@H](C)N(C)CCC(F)(F)F ZINC000077250882 1118006268 /nfs/dbraw/zinc/00/62/68/1118006268.db2.gz ZDPKSDIINYFCMB-JTQLQIEISA-N 0 1 261.287 3.640 20 0 CHADMN CCc1nc(CN(Cc2ccsc2)c2ccccc2)n[nH]1 ZINC000181754821 1118006497 /nfs/dbraw/zinc/00/64/97/1118006497.db2.gz YJEAGYBHMWYFIX-UHFFFAOYSA-N 0 1 298.415 3.635 20 0 CHADMN C[C@@H]1CCN(Cc2cc(Cl)ccc2OCC#N)[C@H](C)C1 ZINC000077319699 1118006691 /nfs/dbraw/zinc/00/66/91/1118006691.db2.gz SFGLKUROANNKIB-CHWSQXEVSA-N 0 1 292.810 3.863 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1C[C@@H](C)C[C@H](C)C1 ZINC000037386207 1118010467 /nfs/dbraw/zinc/01/04/67/1118010467.db2.gz UJFHZJYYKWGOMY-KBPBESRZSA-N 0 1 289.419 3.766 20 0 CHADMN COc1cccc2cc([C@H](C)NCc3cncc(C)c3)oc21 ZINC000182085847 1118014100 /nfs/dbraw/zinc/01/41/00/1118014100.db2.gz BUQUFZCBIUSLME-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN C[C@@H](NC1(c2cccc(F)c2)CC1)c1ccncc1 ZINC000182219402 1118017560 /nfs/dbraw/zinc/01/75/60/1118017560.db2.gz MEDYVPBPNCHRPS-GFCCVEGCSA-N 0 1 256.324 3.561 20 0 CHADMN CC/C=C\CCCCCCN1CC2(C1)CCCO2 ZINC001209286415 1118023876 /nfs/dbraw/zinc/02/38/76/1118023876.db2.gz FDFIHAAGXVDKMQ-ARJAWSKDSA-N 0 1 251.414 3.768 20 0 CHADMN C[C@H]1CCCCCN1Cc1cc(O)ccc1Br ZINC000211399421 1118024961 /nfs/dbraw/zinc/02/49/61/1118024961.db2.gz BVDAKRHORMCPIR-NSHDSACASA-N 0 1 298.224 3.919 20 0 CHADMN Cc1ccc([C@@H](NCc2ccc[nH]c2=O)C2CCCC2)o1 ZINC000624258557 1118032803 /nfs/dbraw/zinc/03/28/03/1118032803.db2.gz NGCHLBNHTHFCPY-INIZCTEOSA-N 0 1 286.375 3.710 20 0 CHADMN CC[C@@H]1CCC[C@H](CN(C)Cc2nccn2C(F)F)C1 ZINC000182993855 1118034280 /nfs/dbraw/zinc/03/42/80/1118034280.db2.gz LURJRDHRLZDNKJ-OLZOCXBDSA-N 0 1 285.382 3.926 20 0 CHADMN C[C@@H]1CCCC[C@@H]1CN(C)Cc1nccn1C(F)F ZINC000182993780 1118035233 /nfs/dbraw/zinc/03/52/33/1118035233.db2.gz JMUSINNEBWUWFI-VXGBXAGGSA-N 0 1 271.355 3.536 20 0 CHADMN Oc1ccccc1CCN[C@H](c1ccco1)c1ccccc1 ZINC000183539979 1118045714 /nfs/dbraw/zinc/04/57/14/1118045714.db2.gz ZWDRINAEXHZBKR-IBGZPJMESA-N 0 1 293.366 3.907 20 0 CHADMN Cc1ccc(-c2n[nH]cc2CN(C)Cc2ccsc2)o1 ZINC000120455805 1118049305 /nfs/dbraw/zinc/04/93/05/1118049305.db2.gz UUOVBQDECQVONO-UHFFFAOYSA-N 0 1 287.388 3.672 20 0 CHADMN CC(C)CC[C@@](C)(O)CNCc1ncc(C(C)C)s1 ZINC000183809572 1118049636 /nfs/dbraw/zinc/04/96/36/1118049636.db2.gz FYVLYBFABWBNFW-OAHLLOKOSA-N 0 1 284.469 3.543 20 0 CHADMN CN(Cc1ccsc1)Cc1c[nH]nc1-c1cccs1 ZINC000120462935 1118051385 /nfs/dbraw/zinc/05/13/85/1118051385.db2.gz BGDUSKPOVGQKHZ-UHFFFAOYSA-N 0 1 289.429 3.832 20 0 CHADMN CC[C@@H](C)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000072058546 1118054661 /nfs/dbraw/zinc/05/46/61/1118054661.db2.gz BNZHTWNSPJMLFW-SNVBAGLBSA-N 0 1 271.364 3.815 20 0 CHADMN C[C@H](CCC(=O)Nc1nc(C2CCC2)n[nH]1)c1ccccc1 ZINC000184644271 1118055838 /nfs/dbraw/zinc/05/58/38/1118055838.db2.gz HECCJCPUODCPPG-GFCCVEGCSA-N 0 1 298.390 3.595 20 0 CHADMN C[C@H](CCC(=O)Nc1n[nH]c(C2CCC2)n1)c1ccccc1 ZINC000184644271 1118055844 /nfs/dbraw/zinc/05/58/44/1118055844.db2.gz HECCJCPUODCPPG-GFCCVEGCSA-N 0 1 298.390 3.595 20 0 CHADMN CCc1ccc(CNCc2ccc(F)cc2F)cc1 ZINC000050198624 1118057063 /nfs/dbraw/zinc/05/70/63/1118057063.db2.gz NYEPLPLJPCAWPH-UHFFFAOYSA-N 0 1 261.315 3.817 20 0 CHADMN CCOC(=O)[C@H]1CCCN([C@H](C)c2ccc(Cl)cc2)C1 ZINC000060460552 1118067353 /nfs/dbraw/zinc/06/73/53/1118067353.db2.gz WHCSWXWWSPUSFH-OCCSQVGLSA-N 0 1 295.810 3.676 20 0 CHADMN Cc1cnccc1CN[C@@H](C)c1cccc(F)c1F ZINC000235515752 1118069206 /nfs/dbraw/zinc/06/92/06/1118069206.db2.gz SRKSNCNAGOBWLE-NSHDSACASA-N 0 1 262.303 3.519 20 0 CHADMN CCC=C(C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179846203 1118075969 /nfs/dbraw/zinc/07/59/69/1118075969.db2.gz YIKMRAPNIXMGPD-XBXARRHUSA-N 0 1 279.290 3.795 20 0 CHADMN Cc1oc(C[N@H+](C)Cc2cccc(Cl)c2)cc1C(=O)[O-] ZINC000048877677 1118081747 /nfs/dbraw/zinc/08/17/47/1118081747.db2.gz VQYLBNUAICZBCP-UHFFFAOYSA-N 0 1 293.750 3.572 20 0 CHADMN Cc1ccc(CN2CCC(Oc3cccc(C)c3)CC2)[nH]1 ZINC001209579241 1118081994 /nfs/dbraw/zinc/08/19/94/1118081994.db2.gz VYRBBOJNNZPDDP-UHFFFAOYSA-N 0 1 284.403 3.675 20 0 CHADMN CCCN(CCOC)Cc1c(C)cc(F)cc1Cl ZINC001238781286 1118082644 /nfs/dbraw/zinc/08/26/44/1118082644.db2.gz PMFQFILZTOZVHC-UHFFFAOYSA-N 0 1 273.779 3.646 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nc(C2CCCCC2)no1)C1CC1 ZINC000639096654 1118086317 /nfs/dbraw/zinc/08/63/17/1118086317.db2.gz HASJYNRMLOLFBU-SMDDNHRTSA-N 0 1 277.412 3.957 20 0 CHADMN COc1ccc(C)c(Nc2cnc3cccc(C)n23)c1 ZINC001209839461 1118096632 /nfs/dbraw/zinc/09/66/32/1118096632.db2.gz POFZSISFMZTUEB-UHFFFAOYSA-N 0 1 267.332 3.703 20 0 CHADMN CC1(C2(NCc3cc(O)ccc3Br)CC2)CC1 ZINC000398202560 1118097710 /nfs/dbraw/zinc/09/77/10/1118097710.db2.gz ADZTYFQRBYWKGG-UHFFFAOYSA-N 0 1 296.208 3.577 20 0 CHADMN FC(F)(F)c1cncc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209843309 1118098392 /nfs/dbraw/zinc/09/83/92/1118098392.db2.gz WFLPBTYQRDFWCK-UHFFFAOYSA-N 0 1 278.237 3.720 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccco1 ZINC000764628316 1118103301 /nfs/dbraw/zinc/10/33/01/1118103301.db2.gz MDOYXRLPNIXCAL-RYUDHWBXSA-N 0 1 284.359 3.576 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccc(OC)c(C)c2)nc1 ZINC000932569751 1118104332 /nfs/dbraw/zinc/10/43/32/1118104332.db2.gz KVONORFWCSNSKL-AWEZNQCLSA-N 0 1 284.403 3.812 20 0 CHADMN CCN(C#N)CCN(C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001167234153 1118110864 /nfs/dbraw/zinc/11/08/64/1118110864.db2.gz VJVNDFZFXKLRPX-GFCCVEGCSA-N 0 1 299.340 3.501 20 0 CHADMN C[C@H]1CCCN(Cc2cc(C(F)(F)F)ccn2)C[C@H]1C ZINC001140104088 1118119291 /nfs/dbraw/zinc/11/92/91/1118119291.db2.gz CAQJKMZCUWENDQ-NWDGAFQWSA-N 0 1 286.341 3.968 20 0 CHADMN C[C@H](NCc1cc[nH]n1)c1ccc(F)c2ccccc21 ZINC000340240127 1118120508 /nfs/dbraw/zinc/12/05/08/1118120508.db2.gz RYALLHUYKRJZOJ-NSHDSACASA-N 0 1 269.323 3.553 20 0 CHADMN Cc1cccc(CN2Cc3ccccc3C(C)(C)C2)n1 ZINC000340240697 1118120650 /nfs/dbraw/zinc/12/06/50/1118120650.db2.gz WAQGHBKLASCUSI-UHFFFAOYSA-N 0 1 266.388 3.683 20 0 CHADMN Cc1cc(N)ncc1Nc1cccnc1-c1ccccc1 ZINC001209968621 1118122879 /nfs/dbraw/zinc/12/28/79/1118122879.db2.gz WRURLFCSAZCAEP-UHFFFAOYSA-N 0 1 276.343 3.778 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnc(C)nc1C)c1ccccc1OC ZINC000764885497 1118124363 /nfs/dbraw/zinc/12/43/63/1118124363.db2.gz YFCIEENGTILIIO-GUYCJALGSA-N 0 1 299.418 3.904 20 0 CHADMN CCCn1c(C)nnc1CN1CCC[C@@H]1CC1CCCC1 ZINC000653893286 1118126557 /nfs/dbraw/zinc/12/65/57/1118126557.db2.gz YALUDFIYMNIFPW-MRXNPFEDSA-N 0 1 290.455 3.541 20 0 CHADMN C[C@@H](c1ccccc1Br)N1CCCCC1 ZINC000258543165 1118132850 /nfs/dbraw/zinc/13/28/50/1118132850.db2.gz NJGWCLFTLWISRZ-NSHDSACASA-N 0 1 268.198 3.996 20 0 CHADMN Fc1nc(F)c(F)c(N=C2CCC(F)(F)CC2)c1F ZINC001210026429 1118134949 /nfs/dbraw/zinc/13/49/49/1118134949.db2.gz CISNHALWSBFEOR-UHFFFAOYSA-N 0 1 282.187 3.753 20 0 CHADMN Cc1ccc2nc(N)n(-c3cc(F)c(C)c(F)c3)c2c1 ZINC001210105893 1118153999 /nfs/dbraw/zinc/15/39/99/1118153999.db2.gz KXUPDDGHPHCMKZ-UHFFFAOYSA-N 0 1 273.286 3.503 20 0 CHADMN CC[C@H](C)[C@@H](CN(Cc1ccc(F)cc1F)C1CC1)OC ZINC001205208909 1118156553 /nfs/dbraw/zinc/15/65/53/1118156553.db2.gz QFEKDNNXZLJQBI-YVEFUNNKSA-N 0 1 297.389 3.990 20 0 CHADMN CC[C@@H](C)CN(C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000171949498 1118161065 /nfs/dbraw/zinc/16/10/65/1118161065.db2.gz BGTIENKKQXSOLR-LLVKDONJSA-N 0 1 293.798 3.868 20 0 CHADMN Cc1c2ccccc2oc1[C@H](NCc1c[nH]cn1)C(C)C ZINC000171966313 1118163589 /nfs/dbraw/zinc/16/35/89/1118163589.db2.gz SQHTYDQAVCVZBB-MRXNPFEDSA-N 0 1 283.375 3.951 20 0 CHADMN C[C@@H](N[C@H](C)c1cc(F)c(F)c(F)c1)c1cccnc1 ZINC000171983038 1118164977 /nfs/dbraw/zinc/16/49/77/1118164977.db2.gz UNCYNAZKERYLSG-NXEZZACHSA-N 0 1 280.293 3.911 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](Cc2ccsc2C(=O)[O-])CC1 ZINC000079349433 1118166302 /nfs/dbraw/zinc/16/63/02/1118166302.db2.gz KISRKJXJZKQWBA-GFCCVEGCSA-N 0 1 281.421 3.704 20 0 CHADMN COc1cncc(CN[C@@H](CC(C)C)c2ccccc2C)n1 ZINC000625293586 1118178141 /nfs/dbraw/zinc/17/81/41/1118178141.db2.gz CLYXBRLETLUFOM-KRWDZBQOSA-N 0 1 299.418 3.671 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]3C[C@@H]32)c(Br)c1 ZINC001137808560 1118181461 /nfs/dbraw/zinc/18/14/61/1118181461.db2.gz WAHDLKYUWYFYCX-RISCZKNCSA-N 0 1 280.209 3.742 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(-c2ccc(F)cc2C)no1 ZINC000386688058 1118184899 /nfs/dbraw/zinc/18/48/99/1118184899.db2.gz RFAZNFJKCOUZGL-ZDUSSCGKSA-N 0 1 291.370 3.881 20 0 CHADMN CC(C)Oc1cccc(CNCc2cnn(C3CCC3)c2)c1 ZINC000921548966 1118190461 /nfs/dbraw/zinc/19/04/61/1118190461.db2.gz CBOVDYIHUDUTNW-UHFFFAOYSA-N 0 1 299.418 3.685 20 0 CHADMN Clc1ncc(CN2CCC[C@H](C3CCC3)C2)s1 ZINC000693096769 1118196332 /nfs/dbraw/zinc/19/63/32/1118196332.db2.gz JEWIPQMXYAPSPH-NSHDSACASA-N 0 1 270.829 3.809 20 0 CHADMN COC1(C[C@H](C)N[C@@H](CF)c2ccc(F)cc2)CCC1 ZINC000631798424 1118196698 /nfs/dbraw/zinc/19/66/98/1118196698.db2.gz SJKUOYUHBNWZJA-WFASDCNBSA-N 0 1 283.362 3.774 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1N[C@H]1CCCn2ccnc21 ZINC000655737944 1118198122 /nfs/dbraw/zinc/19/81/22/1118198122.db2.gz RTMGUORCGLBAEJ-XOKHGSTOSA-N 0 1 281.403 3.631 20 0 CHADMN CC1(C)C[C@H](NCc2cc3n(n2)CCCC3)c2ccccc21 ZINC000655746468 1118200860 /nfs/dbraw/zinc/20/08/60/1118200860.db2.gz BPUHSICQZOSZTK-SFHVURJKSA-N 0 1 295.430 3.732 20 0 CHADMN C[C@H]1CCc2ccccc2[C@H]1NCc1cc2n(n1)CCCC2 ZINC000655753802 1118201467 /nfs/dbraw/zinc/20/14/67/1118201467.db2.gz FNEOKIXDVLZPPZ-LIRRHRJNSA-N 0 1 295.430 3.633 20 0 CHADMN Cc1nc2cc(N[C@H]3CC[C@@H](C)SC3)ccc2n1C ZINC000655752269 1118201596 /nfs/dbraw/zinc/20/15/96/1118201596.db2.gz PPQGLMOGHOIXRQ-MFKMUULPSA-N 0 1 275.421 3.578 20 0 CHADMN Cc1ccsc1CNCc1nccc2c1CCCC2 ZINC000921598833 1118205313 /nfs/dbraw/zinc/20/53/13/1118205313.db2.gz PJEAMXQAMUVYQS-UHFFFAOYSA-N 0 1 272.417 3.620 20 0 CHADMN Fc1cccc2c1CC[C@@H]2NCc1cnn(C2CCC2)c1 ZINC000921613630 1118205854 /nfs/dbraw/zinc/20/58/54/1118205854.db2.gz KYOWHPGANJJQEQ-KRWDZBQOSA-N 0 1 285.366 3.524 20 0 CHADMN CC(C)(C)CCCCC(=O)NCc1ccc2nc[nH]c2c1 ZINC000615795050 1128762747 /nfs/dbraw/zinc/76/27/47/1128762747.db2.gz WARCMNWREJCTFH-UHFFFAOYSA-N 0 1 287.407 3.786 20 0 CHADMN C[C@@H](CCC(C)(C)C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615792076 1128762870 /nfs/dbraw/zinc/76/28/70/1128762870.db2.gz LLRCRJZRJQWRFR-LBPRGKRZSA-N 0 1 287.407 3.642 20 0 CHADMN CCc1ccccc1Cc1noc(CN2[C@@H](C)CC[C@@H]2C)n1 ZINC000683597463 1118211894 /nfs/dbraw/zinc/21/18/94/1118211894.db2.gz JYHLYCLNYVRADN-KBPBESRZSA-N 0 1 299.418 3.596 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N1CC[C@H](C2CCCCC2)C1 ZINC000618183169 1118220957 /nfs/dbraw/zinc/22/09/57/1118220957.db2.gz WWEYRVFMZJAMAD-AWEZNQCLSA-N 0 1 297.402 3.605 20 0 CHADMN COc1c(C)cccc1CN[C@@H](C)c1ccsc1 ZINC000655810106 1118221334 /nfs/dbraw/zinc/22/13/34/1118221334.db2.gz HTAKCPAVALSAPH-LBPRGKRZSA-N 0 1 261.390 3.916 20 0 CHADMN C[C@@H](CC(=O)NCc1ccc2nc[nH]c2c1)C1CCCCC1 ZINC000615790629 1128763674 /nfs/dbraw/zinc/76/36/74/1128763674.db2.gz XZPFTOBHEWYEFN-ZDUSSCGKSA-N 0 1 299.418 3.786 20 0 CHADMN CC(C)CN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000033644739 1118227372 /nfs/dbraw/zinc/22/73/72/1118227372.db2.gz ZIOKVNDXJGFQES-CQSZACIVSA-N 0 1 287.325 3.735 20 0 CHADMN O=C(c1cccc2n[nH]cc21)N1CCC[C@H]1c1cccs1 ZINC000042017943 1118233495 /nfs/dbraw/zinc/23/34/95/1118233495.db2.gz TYZWTLJTQKIPND-AWEZNQCLSA-N 0 1 297.383 3.602 20 0 CHADMN Cc1nc([C@H](C)NC[C@H]2CCC3(CCCC3)O2)c(C)s1 ZINC000655851808 1118241369 /nfs/dbraw/zinc/24/13/69/1118241369.db2.gz HJUJFTVQHFGUIW-SMDDNHRTSA-N 0 1 294.464 3.902 20 0 CHADMN CCCCC[C@H](NCc1nc([C@@H](C)OC)no1)C(C)(C)C ZINC000179922166 1128765250 /nfs/dbraw/zinc/76/52/50/1128765250.db2.gz VBSYBHDOLYFZQH-OLZOCXBDSA-N 0 1 297.443 3.862 20 0 CHADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C1(C)CC1 ZINC000615822904 1128765264 /nfs/dbraw/zinc/76/52/64/1128765264.db2.gz ZJBBWBPUJZDEMD-VIFPVBQESA-N 0 1 291.782 3.536 20 0 CHADMN C=Cc1ccc(CNc2cc3nc[nH]c3cc2F)cc1 ZINC001168576242 1118249493 /nfs/dbraw/zinc/24/94/93/1118249493.db2.gz XJUMDDORKXWFCS-UHFFFAOYSA-N 0 1 267.307 3.957 20 0 CHADMN CC[C@H]1C[C@H](C)CN1Cc1ncc(C(C)(C)C)o1 ZINC000409445187 1118252939 /nfs/dbraw/zinc/25/29/39/1118252939.db2.gz LXXWVIALCUPZCP-RYUDHWBXSA-N 0 1 250.386 3.593 20 0 CHADMN CSCCCCC(=O)Nc1cccc(Cl)c1O ZINC000172404378 1118253041 /nfs/dbraw/zinc/25/30/41/1118253041.db2.gz RMPHSEBYWUQYTE-UHFFFAOYSA-N 0 1 273.785 3.517 20 0 CHADMN CCc1noc(C)c1CN[C@H]1CCc2c1cccc2C ZINC000340442899 1118253713 /nfs/dbraw/zinc/25/37/13/1118253713.db2.gz QECLDNUCBDZRFD-KRWDZBQOSA-N 0 1 270.376 3.631 20 0 CHADMN c1cc(CN[C@H]2CCCOc3ccccc32)n(C2CCC2)n1 ZINC000921637305 1118255503 /nfs/dbraw/zinc/25/55/03/1118255503.db2.gz WRZYFNWHCQIJOA-KRWDZBQOSA-N 0 1 297.402 3.612 20 0 CHADMN Cc1cc([C@H](C)NCCSCc2ccccc2F)no1 ZINC000340462373 1118267247 /nfs/dbraw/zinc/26/72/47/1118267247.db2.gz MIWJPFLDSDMTBI-LBPRGKRZSA-N 0 1 294.395 3.706 20 0 CHADMN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CC1=CCCCC1 ZINC000579979931 1118272267 /nfs/dbraw/zinc/27/22/67/1118272267.db2.gz CDOXUQFGEBQINH-DLBZAZTESA-N 0 1 291.435 3.842 20 0 CHADMN CCc1ccc(CNCc2c(OC)cccc2OC)cc1 ZINC000671707877 1118279226 /nfs/dbraw/zinc/27/92/26/1118279226.db2.gz SLSUHKFUYJYDDS-UHFFFAOYSA-N 0 1 285.387 3.556 20 0 CHADMN CC(C)[C@@H]1CCCCC[N@H+]1Cc1coc(C2CC2)n1 ZINC001168581733 1118281121 /nfs/dbraw/zinc/28/11/21/1118281121.db2.gz XNZCFRYZOJUPRN-HNNXBMFYSA-N 0 1 262.397 3.953 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NC/C=C\c1ccc(F)c(F)c1 ZINC000671710115 1118282310 /nfs/dbraw/zinc/28/23/10/1118282310.db2.gz WSMOPYMSODPERD-UMCURTJPSA-N 0 1 292.329 3.934 20 0 CHADMN Cc1occc1CN[C@H]1CCCNc2ccccc21 ZINC000683690149 1118284695 /nfs/dbraw/zinc/28/46/95/1118284695.db2.gz DUBFDERWNAFUCZ-INIZCTEOSA-N 0 1 256.349 3.625 20 0 CHADMN Clc1ccc(CNCc2cc3ccccc3[nH]2)o1 ZINC000058474070 1118288658 /nfs/dbraw/zinc/28/86/58/1118288658.db2.gz NQMOOOWTDKQXJU-UHFFFAOYSA-N 0 1 260.724 3.704 20 0 CHADMN C[C@H]1CCCC[C@H]1OCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000058563083 1118289966 /nfs/dbraw/zinc/28/99/66/1118289966.db2.gz OBKQBWDJIJIWMQ-WMLDXEAASA-N 0 1 279.399 3.853 20 0 CHADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(Cl)cc2C)C1 ZINC000234103462 1118294494 /nfs/dbraw/zinc/29/44/94/1118294494.db2.gz RYDYGNHEDDIXTR-INIZCTEOSA-N 0 1 295.810 3.725 20 0 CHADMN Cc1ccccc1CN(Cc1ccco1)C[C@H]1CCCO1 ZINC000060038999 1118296959 /nfs/dbraw/zinc/29/69/59/1118296959.db2.gz QWVDSUNGCISFHT-GOSISDBHSA-N 0 1 285.387 3.769 20 0 CHADMN CCc1ccc(N2CCN([C@H](C)c3cccnc3)CC2)cc1 ZINC000076060260 1128768228 /nfs/dbraw/zinc/76/82/28/1128768228.db2.gz UDCYJDMJDTUHDW-MRXNPFEDSA-N 0 1 295.430 3.527 20 0 CHADMN CC[C@H](C)N(CC(=O)Nc1ccccc1)Cc1ccccc1 ZINC000060471588 1118299430 /nfs/dbraw/zinc/29/94/30/1118299430.db2.gz RUEDGGUGOHTCNZ-INIZCTEOSA-N 0 1 296.414 3.926 20 0 CHADMN COc1ccc(CN(C)Cc2cc(C)ccc2OC)cc1 ZINC000061760464 1118308825 /nfs/dbraw/zinc/30/88/25/1118308825.db2.gz SXRVHILOUKMWTM-UHFFFAOYSA-N 0 1 285.387 3.644 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@@H]2C2CCC2)c1Cl ZINC000568059464 1118314012 /nfs/dbraw/zinc/31/40/12/1118314012.db2.gz ANENYIHIVHLUIE-CQSZACIVSA-N 0 1 293.794 3.803 20 0 CHADMN C[C@@H](c1cn(-c2ccccc2)nn1)N1CCC2(CCC2)CC1 ZINC000671728986 1118315114 /nfs/dbraw/zinc/31/51/14/1118315114.db2.gz YNQJFXLLLBIFFT-HNNXBMFYSA-N 0 1 296.418 3.594 20 0 CHADMN C[C@H](c1cn(-c2ccccc2)nn1)N1CCC2(CCC2)CC1 ZINC000671728987 1118315335 /nfs/dbraw/zinc/31/53/35/1118315335.db2.gz YNQJFXLLLBIFFT-OAHLLOKOSA-N 0 1 296.418 3.594 20 0 CHADMN CC(C)c1nc(CN2CCC[C@H](C)CC2)cs1 ZINC000063302459 1118315514 /nfs/dbraw/zinc/31/55/14/1118315514.db2.gz XYESNOYPMKSKON-LBPRGKRZSA-N 0 1 252.427 3.889 20 0 CHADMN Fc1ccc(CN2CCC3(CCC3)CC2)c(F)c1 ZINC000671728725 1118315744 /nfs/dbraw/zinc/31/57/44/1118315744.db2.gz MYBVDJVSCZCXMW-UHFFFAOYSA-N 0 1 251.320 3.731 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]1F)CCCO2 ZINC000340524051 1118315707 /nfs/dbraw/zinc/31/57/07/1118315707.db2.gz BBXIRHGNPGSUCH-KFWWJZLASA-N 0 1 263.356 3.689 20 0 CHADMN CC(C)C[C@H](N[C@@H]1CCC[C@H]1F)c1ccccn1 ZINC000340524454 1118317274 /nfs/dbraw/zinc/31/72/74/1118317274.db2.gz SOOVXDHNTVFLKH-NFAWXSAZSA-N 0 1 250.361 3.649 20 0 CHADMN CC[C@H](N[C@H]1CCC[C@@H]1F)c1cc(F)ccc1F ZINC000340525388 1118317360 /nfs/dbraw/zinc/31/73/60/1118317360.db2.gz IVZDPEQDWRDDKS-IHRRRGAJSA-N 0 1 257.299 3.896 20 0 CHADMN Cc1ccc2c(c1)OCCC[C@@H]2N[C@H]1CCC[C@H]1F ZINC000340524445 1118317512 /nfs/dbraw/zinc/31/75/12/1118317512.db2.gz SGUWQZGWCJXBAK-ILXRZTDVSA-N 0 1 263.356 3.689 20 0 CHADMN Cc1ccccc1CNCc1nc2c(s1)CCCC2 ZINC000049866469 1118318652 /nfs/dbraw/zinc/31/86/52/1118318652.db2.gz QBVWTGJNFMLJFA-UHFFFAOYSA-N 0 1 272.417 3.620 20 0 CHADMN Cc1noc(C)c1C(C)(C)NCc1cc2ccccc2[nH]1 ZINC000671730888 1118318914 /nfs/dbraw/zinc/31/89/14/1118318914.db2.gz FKUOCKBKDNFQPG-UHFFFAOYSA-N 0 1 283.375 3.798 20 0 CHADMN CCN(CC)CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000063703638 1118319069 /nfs/dbraw/zinc/31/90/69/1118319069.db2.gz RXNVUOYUFNGMDT-UHFFFAOYSA-N 0 1 294.398 3.538 20 0 CHADMN CCCN(C)CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000063761516 1118320275 /nfs/dbraw/zinc/32/02/75/1118320275.db2.gz GQNKMNMZGYBZPC-UHFFFAOYSA-N 0 1 296.414 3.562 20 0 CHADMN Cc1[nH]c2ccccc2c1C(=O)CN(C)CC1CCCC1 ZINC000064021413 1118322486 /nfs/dbraw/zinc/32/24/86/1118322486.db2.gz XKATVGGMGGUAFR-UHFFFAOYSA-N 0 1 284.403 3.781 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccco1 ZINC000671739596 1118326801 /nfs/dbraw/zinc/32/68/01/1118326801.db2.gz KDHCAWJIHLDSCY-UWVGGRQHSA-N 0 1 272.304 3.538 20 0 CHADMN CCOc1cccc2cc([C@H](C)N[C@@H]3C[C@H]3OCC)oc21 ZINC000580033237 1118327946 /nfs/dbraw/zinc/32/79/46/1118327946.db2.gz FMTUBASZAHKONL-NORZTCDRSA-N 0 1 289.375 3.660 20 0 CHADMN CC[C@@H]1C[C@H](C)CC[C@H]1NCc1ncn(-c2ccccc2)n1 ZINC000340536711 1118331167 /nfs/dbraw/zinc/33/11/67/1118331167.db2.gz QPTJUNARYCWCRD-BFYDXBDKSA-N 0 1 298.434 3.572 20 0 CHADMN c1c2cccnc2[nH]c1-c1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000656051817 1118342189 /nfs/dbraw/zinc/34/21/89/1118342189.db2.gz PXQXNRLHFUUIGZ-MVWJERBFSA-N 0 1 280.331 3.517 20 0 CHADMN CCOc1cc(NC(=O)c2cccc3cn[nH]c32)ccc1C ZINC000066767823 1118348193 /nfs/dbraw/zinc/34/81/93/1118348193.db2.gz LGWFRUJIXHYECE-UHFFFAOYSA-N 0 1 295.342 3.522 20 0 CHADMN C1=C(CSc2nc(-c3ccccc3)n[nH]2)CCC1 ZINC000647114938 1118348765 /nfs/dbraw/zinc/34/87/65/1118348765.db2.gz PORKWZIEICKHHF-UHFFFAOYSA-N 0 1 257.362 3.674 20 0 CHADMN Cc1cc(C)c(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])c(C)c1 ZINC000053300566 1118353743 /nfs/dbraw/zinc/35/37/43/1118353743.db2.gz SLXRWZCQEZXMJS-INIZCTEOSA-N 0 1 289.419 3.831 20 0 CHADMN Cc1ccc(-n2[nH]c(C(C)C)cc2=O)cc1Cl ZINC000116603201 1118358042 /nfs/dbraw/zinc/35/80/42/1118358042.db2.gz UZEUWLCPBNIBQP-UHFFFAOYSA-N 0 1 250.729 3.663 20 0 CHADMN CC(C)(C)OCCN[C@H](c1ccccc1)c1ccccn1 ZINC000068322244 1118361093 /nfs/dbraw/zinc/36/10/93/1118361093.db2.gz VKQDAVAHQMCQER-QGZVFWFLSA-N 0 1 284.403 3.576 20 0 CHADMN Cc1occc1CNCc1ccc(OCC(F)(F)F)cc1 ZINC000068366294 1118361448 /nfs/dbraw/zinc/36/14/48/1118361448.db2.gz CMYHFNQCCSXILL-UHFFFAOYSA-N 0 1 299.292 3.819 20 0 CHADMN CCc1cccnc1[C@@H](C)N[C@@H](C)CC(F)(F)F ZINC000468050933 1118362707 /nfs/dbraw/zinc/36/27/07/1118362707.db2.gz NRGIOPVGPCPVAO-VHSXEESVSA-N 0 1 260.303 3.636 20 0 CHADMN CC(C)(C)COc1cccc(F)c1N=C1CCOC1 ZINC001203395065 1118371910 /nfs/dbraw/zinc/37/19/10/1118371910.db2.gz BVSMFEKAYYOFNW-UHFFFAOYSA-N 0 1 265.328 3.577 20 0 CHADMN Cc1occc1CNCc1ccc(Br)c(C)c1 ZINC000072737680 1118375421 /nfs/dbraw/zinc/37/54/21/1118375421.db2.gz ZJWBDIQDHNWZOH-UHFFFAOYSA-N 0 1 294.192 3.949 20 0 CHADMN CN(C)[C@H](CNc1nc2ccccc2s1)c1ccco1 ZINC000072672709 1118375719 /nfs/dbraw/zinc/37/57/19/1118375719.db2.gz ZCMNWGUMTZZTGP-GFCCVEGCSA-N 0 1 287.388 3.604 20 0 CHADMN CC(C)CCC[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000580085717 1118376645 /nfs/dbraw/zinc/37/66/45/1118376645.db2.gz QFAPFTIIRPRPTI-UHFFFAOYSA-N 0 1 277.408 3.790 20 0 CHADMN CC(C)[C@@H]1CCC[N@@H+](Cc2ccccc2C(=O)[O-])CC1 ZINC000083729627 1118383358 /nfs/dbraw/zinc/38/33/58/1118383358.db2.gz FWSKJRDPYYYQSQ-CQSZACIVSA-N 0 1 275.392 3.643 20 0 CHADMN CC[C@@H](C)[C@H](C)N(CC(=O)c1ccccc1F)C1CC1 ZINC001167357088 1118385932 /nfs/dbraw/zinc/38/59/32/1118385932.db2.gz QVGMBQYNQPGHRU-OLZOCXBDSA-N 0 1 277.383 3.907 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(CC(=O)c1ccccc1F)C1CC1 ZINC001167357084 1118385963 /nfs/dbraw/zinc/38/59/63/1118385963.db2.gz QVGMBQYNQPGHRU-CHWSQXEVSA-N 0 1 277.383 3.907 20 0 CHADMN Clc1ccc(-c2noc([C@H]3CCCCCN3)n2)cc1 ZINC000083883049 1118386296 /nfs/dbraw/zinc/38/62/96/1118386296.db2.gz GYYQZBLRYXFSSK-GFCCVEGCSA-N 0 1 277.755 3.595 20 0 CHADMN CCCCC[N@@H+](Cc1ccsc1C(=O)[O-])C(C)C ZINC000110956292 1118388983 /nfs/dbraw/zinc/38/89/83/1118388983.db2.gz IVVWEOCSSPWJDL-UHFFFAOYSA-N 0 1 269.410 3.847 20 0 CHADMN Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2cc(C3CC3)[nH]n2)c1 ZINC000074438075 1118389025 /nfs/dbraw/zinc/38/90/25/1118389025.db2.gz SKYHVOFQOWDMKZ-CYBMUJFWSA-N 0 1 297.402 3.737 20 0 CHADMN Cc1c(Cl)c(-c2nc3ccc(C)c(C)c3[nH]2)nn1C ZINC000565533614 1118389705 /nfs/dbraw/zinc/38/97/05/1118389705.db2.gz AXYIOSKZUNMJRR-UHFFFAOYSA-N 0 1 274.755 3.542 20 0 CHADMN CC[C@H](NCc1cccc(F)c1N)c1ccccc1F ZINC000639295993 1118396337 /nfs/dbraw/zinc/39/63/37/1118396337.db2.gz OCWAYDCYQQQUSI-HNNXBMFYSA-N 0 1 276.330 3.788 20 0 CHADMN CCN(Cc1ccoc1)Cc1ccc2cnccc2c1 ZINC000683829622 1118396487 /nfs/dbraw/zinc/39/64/87/1118396487.db2.gz HJTKICDEDUECKS-UHFFFAOYSA-N 0 1 266.344 3.850 20 0 CHADMN CCSCC[C@H](C)N(C)Cc1cn2cccc(C)c2n1 ZINC000610396436 1118398160 /nfs/dbraw/zinc/39/81/60/1118398160.db2.gz VGPJUQCVVGTRFP-AWEZNQCLSA-N 0 1 291.464 3.606 20 0 CHADMN CC(C)CC(C)(C)C(=O)NNc1ccnc2ccccc21 ZINC000084631736 1118398859 /nfs/dbraw/zinc/39/88/59/1118398859.db2.gz WBWKTMYFZDIARS-UHFFFAOYSA-N 0 1 285.391 3.750 20 0 CHADMN Cc1cc(Cl)ccc1OC(=O)c1cccc2[nH]ncc21 ZINC000048526221 1118417561 /nfs/dbraw/zinc/41/75/61/1118417561.db2.gz VKEPCSXRSZKXLY-UHFFFAOYSA-N 0 1 286.718 3.744 20 0 CHADMN Cc1cccc2nc(CNC(=O)C=C3CCC(C)CC3)[nH]c21 ZINC000160467170 1118430030 /nfs/dbraw/zinc/43/00/30/1118430030.db2.gz YGJKLDVYNPVMJK-UHFFFAOYSA-N 0 1 297.402 3.624 20 0 CHADMN Cn1cnc(C[N@H+]2CCCCC[C@H]2/C=C/c2ccccc2)c1 ZINC000683898638 1118432809 /nfs/dbraw/zinc/43/28/09/1118432809.db2.gz QQDNRIYOCKQJNL-CVTTXWKISA-N 0 1 295.430 3.878 20 0 CHADMN Cn1cnc(CN2CCCCC[C@H]2/C=C/c2ccccc2)c1 ZINC000683898638 1118432810 /nfs/dbraw/zinc/43/28/10/1118432810.db2.gz QQDNRIYOCKQJNL-CVTTXWKISA-N 0 1 295.430 3.878 20 0 CHADMN Cc1nc(C)c(CN2CC[C@H](C)C[C@@H]2c2ccco2)o1 ZINC000683897834 1118433772 /nfs/dbraw/zinc/43/37/72/1118433772.db2.gz GWPBEVJRUFJPCF-SMDDNHRTSA-N 0 1 274.364 3.858 20 0 CHADMN C=C(Nc1cc(F)cc(F)c1CO)c1ccccc1 ZINC001210987291 1118435039 /nfs/dbraw/zinc/43/50/39/1118435039.db2.gz LOCZYGCIIOCKMU-UHFFFAOYSA-N 0 1 261.271 3.540 20 0 CHADMN CCCCOc1ccc(CN[C@@H]2CCCn3nccc32)cc1 ZINC000631300203 1118435104 /nfs/dbraw/zinc/43/51/04/1118435104.db2.gz BIJOZFRTZNMHIC-QGZVFWFLSA-N 0 1 299.418 3.687 20 0 CHADMN C[C@H]1CC[N@@H+](CCC2CCCCCC2)[C@@H](C(=O)[O-])C1 ZINC000656190905 1118435339 /nfs/dbraw/zinc/43/53/39/1118435339.db2.gz IMIIMXHGGAJRQK-DZGCQCFKSA-N 0 1 267.413 3.532 20 0 CHADMN Oc1c(Cl)c(Cl)c(Cl)cc1Nc1ccncn1 ZINC001211031028 1118442432 /nfs/dbraw/zinc/44/24/32/1118442432.db2.gz HQWVKXCPDKNFNJ-UHFFFAOYSA-N 0 1 290.537 3.886 20 0 CHADMN COc1cc(CN2CCC[C@@H]2c2ccccn2)ccc1C ZINC000580400292 1118445454 /nfs/dbraw/zinc/44/54/54/1118445454.db2.gz MZOAJFRHCXBPNY-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN CCCOc1ncccc1CNCc1cc2ccccc2[nH]1 ZINC000683927357 1118446467 /nfs/dbraw/zinc/44/64/67/1118446467.db2.gz UORKYAZPZMCLOL-UHFFFAOYSA-N 0 1 295.386 3.642 20 0 CHADMN Fc1ccc([C@H](NCc2cnccn2)C2CCCC2)cc1 ZINC000580405003 1118446866 /nfs/dbraw/zinc/44/68/66/1118446866.db2.gz QLQCHJDWGLAYKO-QGZVFWFLSA-N 0 1 285.366 3.637 20 0 CHADMN Cc1cc([C@@H](C)[N@H+](C)C[C@H](C)C(C)(C)C)oc1C(=O)[O-] ZINC000634697354 1118456868 /nfs/dbraw/zinc/45/68/68/1118456868.db2.gz HKYGVOGMVAGXEC-NWDGAFQWSA-N 0 1 281.396 3.961 20 0 CHADMN Cc1c(Cl)cc(NC(=O)c2ccco2)c(O)c1Cl ZINC000197815635 1118464709 /nfs/dbraw/zinc/46/47/09/1118464709.db2.gz ITCVFUNEKGPPCA-UHFFFAOYSA-N 0 1 286.114 3.853 20 0 CHADMN Cc1cc([C@H](C)N[C@H](CO)c2ccsc2)c(C)s1 ZINC000349328262 1118465587 /nfs/dbraw/zinc/46/55/87/1118465587.db2.gz XWMDJWQCNCEWBV-IINYFYTJSA-N 0 1 281.446 3.811 20 0 CHADMN CCN(Cc1ccoc1)Cc1ccc2ncccc2c1 ZINC000129911201 1118467323 /nfs/dbraw/zinc/46/73/23/1118467323.db2.gz UUSLUBHKFOFKRL-UHFFFAOYSA-N 0 1 266.344 3.850 20 0 CHADMN Cc1ccc([C@@H]2COCCN2C[C@@H]2CCC[C@@H](C)C2)o1 ZINC001167412629 1118468001 /nfs/dbraw/zinc/46/80/01/1118468001.db2.gz OXCRDXSSXYXYBH-BMFZPTHFSA-N 0 1 277.408 3.788 20 0 CHADMN CC[C@@H]1CN(Cc2ccc(C)c(Cl)c2)CCS1 ZINC001658490597 1118471276 /nfs/dbraw/zinc/47/12/76/1118471276.db2.gz ZJXXRNURKSUBOF-CYBMUJFWSA-N 0 1 269.841 3.976 20 0 CHADMN Cc1n[nH]cc1CN(C)Cc1oc2c(cccc2C)c1C ZINC000651974524 1118484656 /nfs/dbraw/zinc/48/46/56/1118484656.db2.gz HBYLLKVIPPYZAP-UHFFFAOYSA-N 0 1 283.375 3.713 20 0 CHADMN O=c1cc(CN2CCC[C@H]2c2ccc(Cl)s2)cc[nH]1 ZINC001207123887 1118484825 /nfs/dbraw/zinc/48/48/25/1118484825.db2.gz DKXZOFULBBTIKN-NSHDSACASA-N 0 1 294.807 3.839 20 0 CHADMN Cn1cncc1Nc1cc(Cl)ccc1C(F)(F)F ZINC001211249817 1118487382 /nfs/dbraw/zinc/48/73/82/1118487382.db2.gz CKHDYNVSPDABSO-UHFFFAOYSA-N 0 1 275.661 3.836 20 0 CHADMN CO[C@@H]1CCC[C@H]1N[C@H](c1ccco1)c1ccccc1 ZINC000050369628 1118487623 /nfs/dbraw/zinc/48/76/23/1118487623.db2.gz IRTJNFSXURFCBL-INMHGKMJSA-N 0 1 271.360 3.526 20 0 CHADMN Cc1cc(Cl)c(Cl)cc1Nc1cncn1C ZINC001211252774 1118488404 /nfs/dbraw/zinc/48/84/04/1118488404.db2.gz XVKJWDIKUHKZOX-UHFFFAOYSA-N 0 1 256.136 3.779 20 0 CHADMN COc1cnccc1Nc1cc(-c2ccccc2)cs1 ZINC001211259829 1118490880 /nfs/dbraw/zinc/49/08/80/1118490880.db2.gz JIBVLMTZBYTEHS-UHFFFAOYSA-N 0 1 282.368 3.984 20 0 CHADMN Cc1cccc(C2(c3nc([C@H](N)CC(C)C)no3)CCC2)c1 ZINC000647131423 1118492267 /nfs/dbraw/zinc/49/22/67/1118492267.db2.gz YQWKTMVWHGXRMA-OAHLLOKOSA-N 0 1 299.418 3.894 20 0 CHADMN O=C(Nc1ccc2c(c1)CCC2)c1c(O)cccc1Cl ZINC000057304980 1118492564 /nfs/dbraw/zinc/49/25/64/1118492564.db2.gz STSJTJRVEXFKNU-UHFFFAOYSA-N 0 1 287.746 3.787 20 0 CHADMN COc1cnccc1Nc1ccc2sc(Cl)nc2c1 ZINC001211263324 1118492593 /nfs/dbraw/zinc/49/25/93/1118492593.db2.gz LDSMBZRFVOLWIZ-UHFFFAOYSA-N 0 1 291.763 3.519 20 0 CHADMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000238068112 1128781640 /nfs/dbraw/zinc/78/16/40/1128781640.db2.gz CTBMPDXKTSEEIM-BBRMVZONSA-N 0 1 287.790 3.939 20 0 CHADMN Cc1ccc(CN2CC[C@H](n3cc(Cl)cn3)C2)cc1C ZINC000352391320 1118501231 /nfs/dbraw/zinc/50/12/31/1118501231.db2.gz KCRLKTYDLGROKG-INIZCTEOSA-N 0 1 289.810 3.600 20 0 CHADMN CC[C@H]1CCCN(Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000048058010 1118506830 /nfs/dbraw/zinc/50/68/30/1118506830.db2.gz JNPSPJMIEUVMKH-AWEZNQCLSA-N 0 1 285.391 3.667 20 0 CHADMN CCCc1nc(CN2CCC[C@@H](CC)C2)cs1 ZINC000048058173 1118507182 /nfs/dbraw/zinc/50/71/82/1118507182.db2.gz RPLYOSOYECGISQ-GFCCVEGCSA-N 0 1 252.427 3.718 20 0 CHADMN CCCc1nc(CN2CCC[C@H](CC)C2)cs1 ZINC000048058171 1118507254 /nfs/dbraw/zinc/50/72/54/1118507254.db2.gz RPLYOSOYECGISQ-LBPRGKRZSA-N 0 1 252.427 3.718 20 0 CHADMN CC[C@H]1CCCN(Cc2nc(-c3ccc(C)cc3)no2)C1 ZINC000048058621 1118507297 /nfs/dbraw/zinc/50/72/97/1118507297.db2.gz KJXCJQUUEIKPRV-AWEZNQCLSA-N 0 1 285.391 3.667 20 0 CHADMN C(c1nc(C2CCC2)no1)N(C1CC1)C1CCCCC1 ZINC000639451634 1118507306 /nfs/dbraw/zinc/50/73/06/1118507306.db2.gz GDNSPURKSUAVQH-UHFFFAOYSA-N 0 1 275.396 3.634 20 0 CHADMN CCC[C@@H](C)[N@@H+](C)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000048070735 1118507335 /nfs/dbraw/zinc/50/73/35/1118507335.db2.gz JGERYBMWGBKYSA-CYBMUJFWSA-N 0 1 288.391 3.971 20 0 CHADMN CCC[C@@H](C)N(C)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000048070735 1118507338 /nfs/dbraw/zinc/50/73/38/1118507338.db2.gz JGERYBMWGBKYSA-CYBMUJFWSA-N 0 1 288.391 3.971 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cnccn1)c1ccc(C)c(F)c1 ZINC000091742858 1118510214 /nfs/dbraw/zinc/51/02/14/1118510214.db2.gz PSBGKTKSIBAGAT-SWLSCSKDSA-N 0 1 273.355 3.726 20 0 CHADMN Cc1cc(CN(C)Cc2cccnc2C)cc(C)c1F ZINC001143385655 1118525210 /nfs/dbraw/zinc/52/52/10/1118525210.db2.gz XSJVPRZLZQEOGH-UHFFFAOYSA-N 0 1 272.367 3.778 20 0 CHADMN Cc1nccc(NCc2ncc(C(C)(C)C)s2)c1Cl ZINC000684118516 1118526363 /nfs/dbraw/zinc/52/63/63/1118526363.db2.gz XULZEALTXIRMHU-UHFFFAOYSA-N 0 1 295.839 3.831 20 0 CHADMN CC1CCC([N@@H+](C)CC[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000580955983 1118529808 /nfs/dbraw/zinc/52/98/08/1118529808.db2.gz TWILAMJSJGLOHP-BDVYOWHSSA-N 0 1 289.419 3.755 20 0 CHADMN Cc1ccc2sc(-c3nc([C@H]4CCCN4)no3)cc2c1 ZINC000647145382 1118546407 /nfs/dbraw/zinc/54/64/07/1118546407.db2.gz UTUNZYIPPMPAEA-LLVKDONJSA-N 0 1 285.372 3.684 20 0 CHADMN CC[C@H](Sc1ccccc1)c1nc([C@H]2CCCN2)no1 ZINC000647149493 1118554630 /nfs/dbraw/zinc/55/46/30/1118554630.db2.gz MYGVXOOWLBWNJS-OLZOCXBDSA-N 0 1 289.404 3.738 20 0 CHADMN CC(C)(C)c1ccc(/C=C/c2nc([C@H]3CCCN3)no2)cc1 ZINC000647153993 1118563711 /nfs/dbraw/zinc/56/37/11/1118563711.db2.gz QLQYOZMBVZGLAP-KUCQQTCKSA-N 0 1 297.402 3.962 20 0 CHADMN COCCCn1nccc1-c1nc2ccc(C(C)C)cc2[nH]1 ZINC000656488210 1118563993 /nfs/dbraw/zinc/56/39/93/1118563993.db2.gz MHPLPCGSEPHGFP-UHFFFAOYSA-N 0 1 298.390 3.586 20 0 CHADMN Cl/C=C\CN1CCC(Oc2ccccc2Cl)CC1 ZINC000255298118 1118568256 /nfs/dbraw/zinc/56/82/56/1118568256.db2.gz KTMGJVIBNLZCMI-BAQGIRSFSA-N 0 1 286.202 3.936 20 0 CHADMN CCC[C@H]1CCCC[C@@H]1NCc1nc(C(C)C)no1 ZINC000548160391 1118570313 /nfs/dbraw/zinc/57/03/13/1118570313.db2.gz DEQOKCMRTFVRGJ-STQMWFEESA-N 0 1 265.401 3.642 20 0 CHADMN Cc1nc2ccc(NC(=O)c3cccc4c3CCC4)cc2[nH]1 ZINC000340986292 1118570719 /nfs/dbraw/zinc/57/07/19/1118570719.db2.gz XQMTXEDGXUBAGT-UHFFFAOYSA-N 0 1 291.354 3.612 20 0 CHADMN C[C@H](NCc1ccc(O)cc1)c1ccccc1OC(F)F ZINC000035231562 1118573315 /nfs/dbraw/zinc/57/33/15/1118573315.db2.gz GVJKJPQLZIEVGU-NSHDSACASA-N 0 1 293.313 3.844 20 0 CHADMN Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2c2ccccc2)n[nH]1 ZINC000616328940 1128786793 /nfs/dbraw/zinc/78/67/93/1128786793.db2.gz QUBIUNLUOMYDIF-RDJZCZTQSA-N 0 1 297.402 3.517 20 0 CHADMN Cc1cnc(CNC2(c3ccccc3)CCCCC2)n1C ZINC000341007681 1118581741 /nfs/dbraw/zinc/58/17/41/1118581741.db2.gz JEWMBHFCBMTXBQ-UHFFFAOYSA-N 0 1 283.419 3.678 20 0 CHADMN CCN(Cc1cccs1)C(=O)c1cccc2[nH]c(C)nc21 ZINC000283157546 1118584084 /nfs/dbraw/zinc/58/40/84/1118584084.db2.gz CIFGEHVCPUQZEH-UHFFFAOYSA-N 0 1 299.399 3.595 20 0 CHADMN C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc2c(n1)CCC2 ZINC000656535152 1118585790 /nfs/dbraw/zinc/58/57/90/1118585790.db2.gz GCZWNHCLRBNIFY-YPMHNXCESA-N 0 1 298.352 3.733 20 0 CHADMN Cc1cnc(CN[C@H](C)c2cc3ccccc3s2)n1C ZINC000341045213 1118592964 /nfs/dbraw/zinc/59/29/64/1118592964.db2.gz KMLRGROFUGICNT-GFCCVEGCSA-N 0 1 285.416 3.794 20 0 CHADMN CCc1noc(CN2CCCC[C@H]2CCc2ccccc2)n1 ZINC000090010577 1118599181 /nfs/dbraw/zinc/59/91/81/1118599181.db2.gz ZRPCHLKBUQBZIH-INIZCTEOSA-N 0 1 299.418 3.619 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCCc2occc2C1 ZINC000341082485 1118600896 /nfs/dbraw/zinc/60/08/96/1118600896.db2.gz PZMGGBIVFMIDCF-UHFFFAOYSA-N 0 1 282.318 3.920 20 0 CHADMN Cc1cnc(CN[C@H](CC(C)(C)C)c2ccccc2)n1C ZINC000341091479 1118602283 /nfs/dbraw/zinc/60/22/83/1118602283.db2.gz LLXFVUWCSBIXGP-MRXNPFEDSA-N 0 1 285.435 3.996 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)N2CCCc1c(F)cccc1Cl ZINC000656646321 1118617947 /nfs/dbraw/zinc/61/79/47/1118617947.db2.gz ORKRRCMNFGBOAW-TXEJJXNPSA-N 0 1 295.785 3.608 20 0 CHADMN Cc1ccccc1CC1CN(Cc2cnn(C(C)(C)C)c2)C1 ZINC000656649015 1118619476 /nfs/dbraw/zinc/61/94/76/1118619476.db2.gz XPPZZOHGTBXHRT-UHFFFAOYSA-N 0 1 297.446 3.621 20 0 CHADMN CC(C)N(Cc1ncc(-c2ccccc2)o1)C1CC1 ZINC000074237514 1118621090 /nfs/dbraw/zinc/62/10/90/1118621090.db2.gz PKBDHTYAPITHAS-UHFFFAOYSA-N 0 1 256.349 3.714 20 0 CHADMN FC(F)(F)CC1CN(Cc2cccc3cccnc32)C1 ZINC000656686829 1118636106 /nfs/dbraw/zinc/63/61/06/1118636106.db2.gz ZHISKDZPERPIHX-UHFFFAOYSA-N 0 1 280.293 3.619 20 0 CHADMN COCc1csc(CN[C@@H](C)c2ccccc2F)c1 ZINC000656685561 1118637164 /nfs/dbraw/zinc/63/71/64/1118637164.db2.gz UHHAWLYOCMRLCG-NSHDSACASA-N 0 1 279.380 3.884 20 0 CHADMN CC(C)Cc1ccc(CN2CC(C(F)F)C2)cc1 ZINC000656690754 1118638805 /nfs/dbraw/zinc/63/88/05/1118638805.db2.gz PWQXNFRTVTXKTA-UHFFFAOYSA-N 0 1 253.336 3.582 20 0 CHADMN COc1ccccc1[C@H](C)N[C@@H](C)c1cnc(C)s1 ZINC000090400027 1118642229 /nfs/dbraw/zinc/64/22/29/1118642229.db2.gz XDZOQTNUCKMFJN-QWRGUYRKSA-N 0 1 276.405 3.872 20 0 CHADMN CN(Cc1ccc(Cl)s1)C[C@H](O)c1cccc(F)c1 ZINC000051125505 1118644318 /nfs/dbraw/zinc/64/43/18/1118644318.db2.gz BFDHODGUEFGWOI-ZDUSSCGKSA-N 0 1 299.798 3.706 20 0 CHADMN CC(C)c1cc(N2CCc3cnccc32)nc(C(C)C)n1 ZINC000341264991 1118644484 /nfs/dbraw/zinc/64/44/84/1118644484.db2.gz UUZFPXJHNUXEIL-UHFFFAOYSA-N 0 1 282.391 3.813 20 0 CHADMN CCn1cc(CN2CCCCC[C@H]2c2ccncc2)c(C)n1 ZINC000891441825 1118648421 /nfs/dbraw/zinc/64/84/21/1118648421.db2.gz XSKIPAQJQQIDHT-SFHVURJKSA-N 0 1 298.434 3.724 20 0 CHADMN COc1cccc(CN[C@H](c2ccccn2)C(C)C)c1 ZINC000076902716 1128791596 /nfs/dbraw/zinc/79/15/96/1128791596.db2.gz ISBFCKBRAJOWRC-KRWDZBQOSA-N 0 1 270.376 3.577 20 0 CHADMN Cc1cnc([C@H](C)CN[C@@H]2CCCc3oc(C)nc32)s1 ZINC000926160013 1118649519 /nfs/dbraw/zinc/64/95/19/1118649519.db2.gz WKWYEXQKHBHLSI-BXKDBHETSA-N 0 1 291.420 3.519 20 0 CHADMN C[C@]1(Cc2ccccc2Cl)CCC[N@H+]1CCCC(=O)[O-] ZINC000656757888 1118650056 /nfs/dbraw/zinc/65/00/56/1118650056.db2.gz CCZMOKJBHARUNG-MRXNPFEDSA-N 0 1 295.810 3.602 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCCC3(CCCC3)CC2)s1 ZINC000656758391 1118650296 /nfs/dbraw/zinc/65/02/96/1118650296.db2.gz IBALRWKQXZVCJL-UHFFFAOYSA-N 0 1 293.432 3.993 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CCCC2(CCCC2)CC1 ZINC000656758898 1118650371 /nfs/dbraw/zinc/65/03/71/1118650371.db2.gz PEFYSQDYGNIQCF-UHFFFAOYSA-N 0 1 287.403 3.931 20 0 CHADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCc2ccc(C(C)C)cc2C1 ZINC000656758580 1118650449 /nfs/dbraw/zinc/65/04/49/1118650449.db2.gz IKPVWXVVBXEYCF-KRWDZBQOSA-N 0 1 289.419 3.667 20 0 CHADMN COc1ccc(CN[C@H](c2ccccn2)C(C)C)cc1F ZINC000076902246 1128791607 /nfs/dbraw/zinc/79/16/07/1128791607.db2.gz LNYBMVUHQQBBEY-KRWDZBQOSA-N 0 1 288.366 3.716 20 0 CHADMN O=C([O-])[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656761114 1118651002 /nfs/dbraw/zinc/65/10/02/1118651002.db2.gz MCBYBSGRCQJVAG-IAGOWNOFSA-N 0 1 287.403 3.715 20 0 CHADMN CC(C)[C@@H](NCc1ccc(F)cc1)c1ccccn1 ZINC000076903201 1128792240 /nfs/dbraw/zinc/79/22/40/1128792240.db2.gz LKOUPTBMDSCVQN-MRXNPFEDSA-N 0 1 258.340 3.708 20 0 CHADMN C[C@@H](NCc1cocn1)[C@H](C)c1ccc(Cl)cc1 ZINC000684380323 1118668896 /nfs/dbraw/zinc/66/88/96/1118668896.db2.gz WJWMZIQVJWNLRB-WDEREUQCSA-N 0 1 264.756 3.610 20 0 CHADMN c1nc(-c2ccccc2)oc1CNC1([C@H]2CCCCO2)CC1 ZINC000933373912 1118673248 /nfs/dbraw/zinc/67/32/48/1118673248.db2.gz UFPOSXSLVYUWHR-MRXNPFEDSA-N 0 1 298.386 3.533 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000341360284 1118673747 /nfs/dbraw/zinc/67/37/47/1118673747.db2.gz FGTSRKFCSYIHDJ-CQSZACIVSA-N 0 1 299.418 3.851 20 0 CHADMN CC[C@@H](NCc1cn(C(C)C)nc1C)c1c(C)noc1C ZINC000341368095 1118676680 /nfs/dbraw/zinc/67/66/80/1118676680.db2.gz AXSJKEZCQJBZKK-OAHLLOKOSA-N 0 1 290.411 3.618 20 0 CHADMN CCOc1ccc(CNCc2ccc(C)o2)cc1Cl ZINC000341369058 1118677514 /nfs/dbraw/zinc/67/75/14/1118677514.db2.gz SWMDHNLNGSZMGD-UHFFFAOYSA-N 0 1 279.767 3.930 20 0 CHADMN C[C@H]1CCCN(Cc2noc3c2CC(C)(C)CC3)[C@H]1C ZINC001167482220 1118690452 /nfs/dbraw/zinc/69/04/52/1118690452.db2.gz HJQZXFZBZPVXJE-STQMWFEESA-N 0 1 276.424 3.810 20 0 CHADMN CC(C)(C)[C@H]1CCCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000341415463 1118699123 /nfs/dbraw/zinc/69/91/23/1118699123.db2.gz YKACNAWDMMRUEB-ZDUSSCGKSA-N 0 1 299.418 3.851 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1cnn(C)c1C1CC1 ZINC000891535134 1118704415 /nfs/dbraw/zinc/70/44/15/1118704415.db2.gz ABCCSOCRJYXKLC-LBPRGKRZSA-N 0 1 287.382 3.630 20 0 CHADMN Cc1cc(F)ncc1CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000891537318 1118704713 /nfs/dbraw/zinc/70/47/13/1118704713.db2.gz QSPAQJWLTWPKRL-LBPRGKRZSA-N 0 1 276.330 3.861 20 0 CHADMN CCn1cc(CN(C)[C@H](C)c2ccc(F)cc2)c(C)n1 ZINC000891536913 1118705240 /nfs/dbraw/zinc/70/52/40/1118705240.db2.gz OKWGSTLPNPLETC-CYBMUJFWSA-N 0 1 275.371 3.544 20 0 CHADMN CCC(CC)[C@H](C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000341457097 1118711013 /nfs/dbraw/zinc/71/10/13/1118711013.db2.gz PAVVLWIZFRBRIO-SWLSCSKDSA-N 0 1 296.480 3.539 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2cnc(F)c(C)c2)cc1 ZINC000891565607 1118711890 /nfs/dbraw/zinc/71/18/90/1118711890.db2.gz JPILSXICXUYJOK-ZDUSSCGKSA-N 0 1 288.366 3.731 20 0 CHADMN Cc1cc(CN2CCCC[C@@H]2c2ccccc2)ncn1 ZINC000293120182 1118713947 /nfs/dbraw/zinc/71/39/47/1118713947.db2.gz KJQUEEXJZXVFKG-QGZVFWFLSA-N 0 1 267.376 3.512 20 0 CHADMN C[C@H]1CN(Cc2c(F)cccc2Br)C[C@H]1C ZINC001167487213 1118720075 /nfs/dbraw/zinc/72/00/75/1118720075.db2.gz HWQITMGYLACDRM-AOOOYVTPSA-N 0 1 286.188 3.676 20 0 CHADMN Cc1cc(F)ncc1CN1CCC[C@H]1c1ccsc1 ZINC000891617374 1118721556 /nfs/dbraw/zinc/72/15/56/1118721556.db2.gz GQIVOHYWWDVLHW-AWEZNQCLSA-N 0 1 276.380 3.928 20 0 CHADMN CC(C)(C)c1coc(CN2CC[C@H](c3ccccc3)C2)n1 ZINC000891630068 1118725697 /nfs/dbraw/zinc/72/56/97/1118725697.db2.gz KIATUBYBARJNQO-HNNXBMFYSA-N 0 1 284.403 3.962 20 0 CHADMN C[C@@H]1Cc2cc(CN3CCC[C@H]3c3ccccn3)ccc2O1 ZINC000891631823 1118726342 /nfs/dbraw/zinc/72/63/42/1118726342.db2.gz ZLZYILNFWNMJAA-KDOFPFPSSA-N 0 1 294.398 3.742 20 0 CHADMN COCCOc1ccc(CN(C)[C@@H](C)c2cccs2)o1 ZINC000891640684 1118728221 /nfs/dbraw/zinc/72/82/21/1118728221.db2.gz PRIGGPRGIZCYIK-LBPRGKRZSA-N 0 1 295.404 3.559 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2cccs2)o1 ZINC000891640067 1118728443 /nfs/dbraw/zinc/72/84/43/1118728443.db2.gz MHDZNPFTYNWGAK-SNVBAGLBSA-N 0 1 251.351 3.543 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1cccc2[nH]c(=O)oc21 ZINC000891639902 1118728731 /nfs/dbraw/zinc/72/87/31/1118728731.db2.gz JTKZCBSRDBLTNO-JTQLQIEISA-N 0 1 288.372 3.788 20 0 CHADMN Fc1c(Cl)cccc1CNCc1cccs1 ZINC000083412813 1118729128 /nfs/dbraw/zinc/72/91/28/1118729128.db2.gz BMVSQDUSPAEONW-UHFFFAOYSA-N 0 1 255.745 3.830 20 0 CHADMN CCc1ncc(CNC2(c3cccc(F)c3)CC2)s1 ZINC000084045963 1118735233 /nfs/dbraw/zinc/73/52/33/1118735233.db2.gz FHMWZECWMPMXLM-UHFFFAOYSA-N 0 1 276.380 3.624 20 0 CHADMN CCOc1cccc(CN[C@H]2CCCc3sccc32)n1 ZINC000341553572 1118738924 /nfs/dbraw/zinc/73/89/24/1118738924.db2.gz IMXGYCMSGOPSHB-AWEZNQCLSA-N 0 1 288.416 3.709 20 0 CHADMN CCN(Cc1cn(C)nc1C1CC1)[C@@H](C)c1cccc(O)c1 ZINC000891714335 1118750202 /nfs/dbraw/zinc/75/02/02/1118750202.db2.gz WVWKQVFQTCPFHQ-ZDUSSCGKSA-N 0 1 299.418 3.586 20 0 CHADMN Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[C@@H](C)O3)on1 ZINC000891720167 1118750688 /nfs/dbraw/zinc/75/06/88/1118750688.db2.gz XBCBKARZXHNTRN-CJNGLKHVSA-N 0 1 298.386 3.644 20 0 CHADMN Cc1cc([C@@H]2CCCN2Cc2ccc3c(c2)C[C@@H](C)O3)on1 ZINC000891720167 1118750692 /nfs/dbraw/zinc/75/06/92/1118750692.db2.gz XBCBKARZXHNTRN-CJNGLKHVSA-N 0 1 298.386 3.644 20 0 CHADMN CC[C@@]1(C)CCCN(Cc2cc(C(=O)OC)ccc2F)C1 ZINC001167492010 1118760143 /nfs/dbraw/zinc/76/01/43/1118760143.db2.gz PWSCIAADQABFRC-KRWDZBQOSA-N 0 1 293.382 3.624 20 0 CHADMN CCCC[N@@H+](Cc1cncc(Br)c1)C1CC1 ZINC000131663980 1118762637 /nfs/dbraw/zinc/76/26/37/1118762637.db2.gz RTJDOVJYERUTHH-UHFFFAOYSA-N 0 1 283.213 3.609 20 0 CHADMN CC(C)Cc1ccc(CN2CCC(OC(C)C)CC2)cn1 ZINC000891772142 1118763445 /nfs/dbraw/zinc/76/34/45/1118763445.db2.gz RAEFCDYEBHGCDM-UHFFFAOYSA-N 0 1 290.451 3.670 20 0 CHADMN CCc1ncc(CNCc2ccc(SC)cc2)s1 ZINC000084017389 1118764563 /nfs/dbraw/zinc/76/45/63/1118764563.db2.gz IQVRSSRJCWKIDW-UHFFFAOYSA-N 0 1 278.446 3.717 20 0 CHADMN C[C@H](CCC1CC1)NCc1c(F)cc(F)c(F)c1F ZINC000430721311 1118764598 /nfs/dbraw/zinc/76/45/98/1118764598.db2.gz CDXHBHVGCJYSAC-MRVPVSSYSA-N 0 1 275.289 3.911 20 0 CHADMN CC[C@@H]1CN([C@H]2CCCc3ccc(F)cc32)C[C@H](C)O1 ZINC000510551189 1118768524 /nfs/dbraw/zinc/76/85/24/1118768524.db2.gz RJZOEMFOPGVGKW-MJEQTWJJSA-N 0 1 277.383 3.702 20 0 CHADMN C[C@@H]1CN([C@H]2CCCc3ccc(F)cc32)CC(C)(C)O1 ZINC000510584844 1118771577 /nfs/dbraw/zinc/77/15/77/1118771577.db2.gz QLBWFBPBWPMVSC-WBMJQRKESA-N 0 1 277.383 3.702 20 0 CHADMN C[C@@H]1OCC[C@@]1(C)NCc1c(Cl)cccc1Cl ZINC000235446530 1118774358 /nfs/dbraw/zinc/77/43/58/1118774358.db2.gz YGHKVFLRDNRUAT-TVQRCGJNSA-N 0 1 274.191 3.651 20 0 CHADMN COc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)c2ccccc12 ZINC000510642683 1118780960 /nfs/dbraw/zinc/78/09/60/1118780960.db2.gz CTAWYWSMARKVTI-IEBWSBKVSA-N 0 1 297.398 3.602 20 0 CHADMN COc1ccc(CN2CCO[C@@H]3CCC[C@H]32)c2ccccc12 ZINC000510642683 1118780962 /nfs/dbraw/zinc/78/09/62/1118780962.db2.gz CTAWYWSMARKVTI-IEBWSBKVSA-N 0 1 297.398 3.602 20 0 CHADMN CC1=C[C@@H](C)C[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000430873867 1118781102 /nfs/dbraw/zinc/78/11/02/1118781102.db2.gz AHYNHVIKGHGOFL-GFCCVEGCSA-N 0 1 285.416 3.603 20 0 CHADMN CC1=C[C@@H](C)CN(Cc2cnc(C3CCC3)s2)C1 ZINC000430874800 1118781441 /nfs/dbraw/zinc/78/14/41/1118781441.db2.gz HQBSRGHHLSEOAS-LLVKDONJSA-N 0 1 262.422 3.809 20 0 CHADMN CCc1nc([C@@H](C)NC[C@@]2(C)CC2(Cl)Cl)cs1 ZINC000828823131 1118786974 /nfs/dbraw/zinc/78/69/74/1118786974.db2.gz WONWTHAQUBTWBR-LDYMZIIASA-N 0 1 293.263 3.940 20 0 CHADMN C(=Cc1ccccc1)c1n[nH]c(SC2CCC2)n1 ZINC000430964712 1118794999 /nfs/dbraw/zinc/79/49/99/1118794999.db2.gz IVEQRNQXFQSXIR-MDZDMXLPSA-N 0 1 257.362 3.620 20 0 CHADMN CC[C@H](N[C@H](C)CCc1ccc(OC)cc1)C(F)F ZINC000449364744 1118797018 /nfs/dbraw/zinc/79/70/18/1118797018.db2.gz SWICIQFNSCFXOS-RISCZKNCSA-N 0 1 271.351 3.650 20 0 CHADMN Cc1ccccc1CSCc1n[nH]c(C(C)(C)C)n1 ZINC000430974967 1118798496 /nfs/dbraw/zinc/79/84/96/1118798496.db2.gz GYMMGWCSPCXBTD-UHFFFAOYSA-N 0 1 275.421 3.844 20 0 CHADMN CN(Cc1cnc[nH]1)C(=O)CC1CCC(C(C)(C)C)CC1 ZINC000616926552 1128802112 /nfs/dbraw/zinc/80/21/12/1128802112.db2.gz HKEJUOMKOJXVFR-UHFFFAOYSA-N 0 1 291.439 3.611 20 0 CHADMN CC(C)c1ccc([C@H](C)CC(=O)N(C)Cc2cnc[nH]2)cc1 ZINC000616925439 1128802361 /nfs/dbraw/zinc/80/23/61/1128802361.db2.gz HQQJBMHZYHRYQW-CQSZACIVSA-N 0 1 299.418 3.685 20 0 CHADMN CC1=CCCN(Cc2ccccc2C(F)(F)F)C1 ZINC000510791255 1118817500 /nfs/dbraw/zinc/81/75/00/1118817500.db2.gz LGHYTDAEGBSXIU-UHFFFAOYSA-N 0 1 255.283 3.857 20 0 CHADMN C[C@H](F)CCN(C)[C@]1(c2ccccc2)CCCCC1=O ZINC000510794993 1118817666 /nfs/dbraw/zinc/81/76/66/1118817666.db2.gz FSVRJOIHRNJXBN-YOEHRIQHSA-N 0 1 277.383 3.705 20 0 CHADMN COc1ccc(F)c(F)c1CN1CCC2(CCCC2)C1 ZINC001143412175 1118822625 /nfs/dbraw/zinc/82/26/25/1118822625.db2.gz KIFBRZQLCBZPPR-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN FCCCN1CC=C(c2ccccc2Cl)CC1 ZINC000091841559 1118834214 /nfs/dbraw/zinc/83/42/14/1118834214.db2.gz ZGEXXAFNNSJYQN-UHFFFAOYSA-N 0 1 253.748 3.789 20 0 CHADMN CC(C)(C)c1cc(C[N@H+]2CCCSC[C@H]2C2CC2)no1 ZINC000933918396 1118842992 /nfs/dbraw/zinc/84/29/92/1118842992.db2.gz SUTQWNUGEMJHOQ-AWEZNQCLSA-N 0 1 294.464 3.690 20 0 CHADMN CC(C)(C)c1cc(CN2CCCSC[C@H]2C2CC2)no1 ZINC000933918396 1118842996 /nfs/dbraw/zinc/84/29/96/1118842996.db2.gz SUTQWNUGEMJHOQ-AWEZNQCLSA-N 0 1 294.464 3.690 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc(F)cc2C)s1 ZINC000891924040 1118849519 /nfs/dbraw/zinc/84/95/19/1118849519.db2.gz TVBSNGBPWOPVPA-UHFFFAOYSA-N 0 1 264.369 3.531 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@@H]1CC[C@H](C)C1 ZINC000779260197 1128804691 /nfs/dbraw/zinc/80/46/91/1128804691.db2.gz TXMZSAPOSFORMZ-SMDDNHRTSA-N 0 1 284.359 3.731 20 0 CHADMN C[C@H](NCc1ccc(Cl)s1)c1cncs1 ZINC000132887436 1118856181 /nfs/dbraw/zinc/85/61/81/1118856181.db2.gz QUARXGJZGFSFKD-ZETCQYMHSA-N 0 1 258.799 3.709 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CC[C@@H](C)[C@@H](F)C1 ZINC000684579885 1118867916 /nfs/dbraw/zinc/86/79/16/1118867916.db2.gz ANKJSCMJEKAOQN-MFKMUULPSA-N 0 1 292.329 3.567 20 0 CHADMN CC(C)OCCCCNc1cc[nH+]c2c([O-])cccc12 ZINC000684581363 1118869515 /nfs/dbraw/zinc/86/95/15/1118869515.db2.gz NADQNKFJEPTZON-UHFFFAOYSA-N 0 1 274.364 3.558 20 0 CHADMN COC(=O)CCC[C@@H]1CCC[C@@H](N[C@@H](C)C(C)(F)F)C1 ZINC000449411436 1118874090 /nfs/dbraw/zinc/87/40/90/1118874090.db2.gz BJLVPPIBFWDXEI-RWMBFGLXSA-N 0 1 291.382 3.522 20 0 CHADMN [O-]c1cccc2c(N3CC[C@H](CC(F)(F)F)C3)cc[nH+]c12 ZINC000684589691 1118877920 /nfs/dbraw/zinc/87/79/20/1118877920.db2.gz HQYDUEJKVPIBDZ-SNVBAGLBSA-N 0 1 296.292 3.719 20 0 CHADMN C[C@H](NCc1ccccc1CO)c1ccc(Cl)c(F)c1 ZINC000535776886 1118884069 /nfs/dbraw/zinc/88/40/69/1118884069.db2.gz KKSNEZHSAJJDTG-NSHDSACASA-N 0 1 293.769 3.822 20 0 CHADMN CCc1ccc(CN2CCC[C@@H]2c2cc(C)no2)s1 ZINC000535787230 1118886609 /nfs/dbraw/zinc/88/66/09/1118886609.db2.gz LJRCXQNIDXUAMT-CQSZACIVSA-N 0 1 276.405 3.944 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCC(F)(F)CC1 ZINC000684603556 1118892288 /nfs/dbraw/zinc/89/22/88/1118892288.db2.gz FFDBNIGEKSWOFV-UHFFFAOYSA-N 0 1 266.266 3.609 20 0 CHADMN CC(C)C[C@H](N)c1noc(C2(Cc3ccccc3)CCC2)n1 ZINC000342020532 1118896539 /nfs/dbraw/zinc/89/65/39/1118896539.db2.gz IDQMGQVQBMWQSX-HNNXBMFYSA-N 0 1 299.418 3.780 20 0 CHADMN COc1ccc(F)c(F)c1CN1CCCCC[C@@H]1C ZINC001143419230 1118907551 /nfs/dbraw/zinc/90/75/51/1118907551.db2.gz BQAZBXNVLRQWDU-NSHDSACASA-N 0 1 269.335 3.738 20 0 CHADMN CN(Cc1cc(Cl)ccc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000535875975 1118914482 /nfs/dbraw/zinc/91/44/82/1118914482.db2.gz MEIAEIGHWGUSDV-HZMBPMFUSA-N 0 1 288.218 3.586 20 0 CHADMN Cc1nc([C@@H](C)NCCCC(=O)OC(C)(C)C)c(C)s1 ZINC000611012551 1118920623 /nfs/dbraw/zinc/92/06/23/1118920623.db2.gz VXYRRVZGNYYUPU-SNVBAGLBSA-N 0 1 298.452 3.532 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1cc(O)ccc1Br ZINC000097814926 1118922988 /nfs/dbraw/zinc/92/29/88/1118922988.db2.gz PXXLTOSEOCHIFH-PHIMTYICSA-N 0 1 298.224 3.918 20 0 CHADMN O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000535907202 1118923716 /nfs/dbraw/zinc/92/37/16/1118923716.db2.gz PMBZWRMDGXMBME-RWMBFGLXSA-N 0 1 298.390 3.503 20 0 CHADMN c1c(CSc2nc(-c3ccccc3)n[nH]2)onc1C1CC1 ZINC000657232753 1118925837 /nfs/dbraw/zinc/92/58/37/1118925837.db2.gz KZKFOMQMFZDFCQ-UHFFFAOYSA-N 0 1 298.371 3.629 20 0 CHADMN Cc1cc(F)ncc1CN1CC[C@H](c2ccccc2F)C1 ZINC000891994429 1118931446 /nfs/dbraw/zinc/93/14/46/1118931446.db2.gz APALVVIVLCDNND-ZDUSSCGKSA-N 0 1 288.341 3.658 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2ccc(O)c(F)c2)n1 ZINC000892055736 1118951084 /nfs/dbraw/zinc/95/10/84/1118951084.db2.gz VLVUFKHXRJKOEK-INIZCTEOSA-N 0 1 286.350 3.572 20 0 CHADMN CCn1nc(CNC/C=C\c2ccccc2)c2ccccc21 ZINC000472064923 1118955568 /nfs/dbraw/zinc/95/55/68/1118955568.db2.gz ULAYDQLERRIDAW-FLIBITNWSA-N 0 1 291.398 3.859 20 0 CHADMN C[C@H](NCc1ccnn1CC1CC1)c1ccc(Cl)cc1 ZINC000657287002 1118958040 /nfs/dbraw/zinc/95/80/40/1118958040.db2.gz FXHIPZJXZLTOGI-LBPRGKRZSA-N 0 1 289.810 3.797 20 0 CHADMN Cc1ccc2[nH]c(CNc3ccc4nn[nH]c4c3)cc2c1C ZINC000472075775 1118959640 /nfs/dbraw/zinc/95/96/40/1118959640.db2.gz QCGDNWRTXRKRDS-UHFFFAOYSA-N 0 1 291.358 3.668 20 0 CHADMN Cc1ccc2[nH]c(CNc3ccc4n[nH]nc4c3)cc2c1C ZINC000472075775 1118959642 /nfs/dbraw/zinc/95/96/42/1118959642.db2.gz QCGDNWRTXRKRDS-UHFFFAOYSA-N 0 1 291.358 3.668 20 0 CHADMN Cn1cc([C@H](NCc2ccc(F)cc2F)C(C)(C)C)cn1 ZINC000342288881 1118968710 /nfs/dbraw/zinc/96/87/10/1118968710.db2.gz AHSYXWVMUMHLNV-HNNXBMFYSA-N 0 1 293.361 3.575 20 0 CHADMN Cc1cnc(CN[C@@H](C)c2ccc(F)c3ccccc32)cn1 ZINC000342322460 1118977591 /nfs/dbraw/zinc/97/75/91/1118977591.db2.gz LSFLEVAEIOKCDH-ZDUSSCGKSA-N 0 1 295.361 3.928 20 0 CHADMN Cn1cc([C@H](NCc2cccc(F)c2F)C(C)(C)C)cn1 ZINC000342328521 1118978610 /nfs/dbraw/zinc/97/86/10/1118978610.db2.gz UVWWVKYGPPSCGM-HNNXBMFYSA-N 0 1 293.361 3.575 20 0 CHADMN Cc1c[nH]c(CN[C@@H](CC(C)(C)C)c2ccccc2)n1 ZINC000657310409 1118984402 /nfs/dbraw/zinc/98/44/02/1118984402.db2.gz MDMSRQMPGLCVIQ-HNNXBMFYSA-N 0 1 271.408 3.985 20 0 CHADMN CC(C)(C)c1coc(CNCCCCC2CC2)n1 ZINC000724393536 1118986690 /nfs/dbraw/zinc/98/66/90/1118986690.db2.gz DOQZBDCYALNTJU-UHFFFAOYSA-N 0 1 250.386 3.642 20 0 CHADMN CCOc1cc(CNC(C)(C)CF)ccc1OCC(C)C ZINC000472144272 1118995514 /nfs/dbraw/zinc/99/55/14/1118995514.db2.gz OMNCNPPSYJIDFH-UHFFFAOYSA-N 0 1 297.414 3.958 20 0 CHADMN CC(=CC(C)(C)C)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000588497277 1118995661 /nfs/dbraw/zinc/99/56/61/1118995661.db2.gz LXAHFNWOEGHANA-WEHUKYGOSA-N 0 1 285.391 3.733 20 0 CHADMN CC(C)(C)c1coc(CN[C@H](C2CC2)C(C)(C)C)n1 ZINC000724428424 1118999794 /nfs/dbraw/zinc/99/97/94/1118999794.db2.gz ICWZFJKFTNIDKI-CQSZACIVSA-N 0 1 264.413 3.886 20 0 CHADMN CCC(CC)[N@@H+](CCc1ccccc1C(=O)[O-])C1CC1 ZINC000582068071 1119000087 /nfs/dbraw/zinc/00/00/87/1119000087.db2.gz VPRUQBDEBFXCLF-UHFFFAOYSA-N 0 1 275.392 3.580 20 0 CHADMN COc1ccc2nc(S[C@H](C)c3ccncc3)[nH]c2c1 ZINC000072033829 1119003650 /nfs/dbraw/zinc/00/36/50/1119003650.db2.gz CVTCKZNLLYHUBM-SNVBAGLBSA-N 0 1 285.372 3.820 20 0 CHADMN CC[C@H]1C[C@@H](NCc2nc3cc(Cl)ccc3s2)CO1 ZINC000657329663 1119005823 /nfs/dbraw/zinc/00/58/23/1119005823.db2.gz AUTQZZLCYSQHOX-MNOVXSKESA-N 0 1 296.823 3.607 20 0 CHADMN Cc1cncc(CN[C@H](c2ncccc2C)C(C)(C)C)c1 ZINC000934286907 1119009627 /nfs/dbraw/zinc/00/96/27/1119009627.db2.gz MTYAJIVHJIGOAT-QGZVFWFLSA-N 0 1 283.419 3.970 20 0 CHADMN CCOC(=O)[C@H](CC(C)C)N1CCC(C2CCCC2)CC1 ZINC001167548662 1119012060 /nfs/dbraw/zinc/01/20/60/1119012060.db2.gz DVNRTVSKOJLZAI-KRWDZBQOSA-N 0 1 295.467 3.866 20 0 CHADMN Cc1csc([C@@H](C)NCc2cc3ccncc3s2)n1 ZINC000657345777 1119015574 /nfs/dbraw/zinc/01/55/74/1119015574.db2.gz YZEPCQOWXLLOGS-SNVBAGLBSA-N 0 1 289.429 3.912 20 0 CHADMN Cc1ccccc1[C@H]1CN(CCC2CCC2)CCO1 ZINC001167550582 1119017897 /nfs/dbraw/zinc/01/78/97/1119017897.db2.gz XGERBZDEXROHES-QGZVFWFLSA-N 0 1 259.393 3.559 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@@H]1NCc1cccc2cc[nH]c21 ZINC000342426072 1119019056 /nfs/dbraw/zinc/01/90/56/1119019056.db2.gz HMFNEYKGRKFJQR-YVEFUNNKSA-N 0 1 278.355 3.780 20 0 CHADMN Clc1cccc([C@H]2C[C@H](NCc3nccs3)C2)c1 ZINC000684766925 1119020752 /nfs/dbraw/zinc/02/07/52/1119020752.db2.gz QQCSDJWHBXPPFP-AULYBMBSSA-N 0 1 278.808 3.832 20 0 CHADMN Cc1c2ccccc2oc1CNCc1c(C2CC2)cnn1C ZINC000657361595 1119027047 /nfs/dbraw/zinc/02/70/47/1119027047.db2.gz GQJHJRMCFOFVHM-UHFFFAOYSA-N 0 1 295.386 3.642 20 0 CHADMN O=C(c1cccc2nc[nH]c21)N1CCCCc2sccc21 ZINC000684785543 1119029718 /nfs/dbraw/zinc/02/97/18/1119029718.db2.gz USTTWKIAANDTGD-UHFFFAOYSA-N 0 1 297.383 3.608 20 0 CHADMN Cc1nc(CN(Cc2ccccc2)CC(C)C)[nH]c1C ZINC000628142601 1128817249 /nfs/dbraw/zinc/81/72/49/1128817249.db2.gz JZIVJSPFDSUZMA-UHFFFAOYSA-N 0 1 271.408 3.685 20 0 CHADMN CC[C@@H]1C[C@@H](N[C@H](C)c2c(F)cccc2Cl)CO1 ZINC000657385368 1119046694 /nfs/dbraw/zinc/04/66/94/1119046694.db2.gz VBQYXMSPKNJXOT-GMTAPVOTSA-N 0 1 271.763 3.697 20 0 CHADMN C[C@H](N[C@H]1CCOC12CCCC2)c1c(F)cccc1F ZINC000934389647 1119057867 /nfs/dbraw/zinc/05/78/67/1119057867.db2.gz BKYOZEOZXQMXAV-FZMZJTMJSA-N 0 1 281.346 3.717 20 0 CHADMN COC(=O)c1ccc(CN[C@H](C)c2cc(C)oc2C)cc1 ZINC000044729374 1119060476 /nfs/dbraw/zinc/06/04/76/1119060476.db2.gz ZEBWKERUSAWHIA-GFCCVEGCSA-N 0 1 287.359 3.534 20 0 CHADMN CC1(C)CN(Cc2noc(-c3ccccc3)n2)[C@@H]2CCC[C@H]21 ZINC000582374057 1119061305 /nfs/dbraw/zinc/06/13/05/1119061305.db2.gz YLJRMGVHVQBESF-HUUCEWRRSA-N 0 1 297.402 3.747 20 0 CHADMN CCc1ccc(CN[C@@H](CCO)c2ccccc2F)s1 ZINC000647249666 1119064421 /nfs/dbraw/zinc/06/44/21/1119064421.db2.gz ICUQRYZGUVSEGK-INIZCTEOSA-N 0 1 293.407 3.663 20 0 CHADMN CCCCCC(=O)Nc1ccccc1Nc1ccncc1 ZINC000684850734 1119069276 /nfs/dbraw/zinc/06/92/76/1119069276.db2.gz QNZZVYMHKWZKPQ-UHFFFAOYSA-N 0 1 283.375 3.766 20 0 CHADMN CC(C)n1ccnc1CN[C@H]1c2ccccc2CC[C@@H]1C ZINC000657421668 1119073719 /nfs/dbraw/zinc/07/37/19/1119073719.db2.gz QPANJJFNKGVPEO-KBXCAEBGSA-N 0 1 283.419 3.877 20 0 CHADMN Clc1cccc(CNCc2cnn(-c3ccccc3)c2)c1 ZINC000048521472 1119081469 /nfs/dbraw/zinc/08/14/69/1119081469.db2.gz IZQTVFMIGHUDME-UHFFFAOYSA-N 0 1 297.789 3.816 20 0 CHADMN CCOc1ccc(CN[C@@H](C)c2cncc(F)c2)c(C)c1 ZINC000657433458 1119086164 /nfs/dbraw/zinc/08/61/64/1119086164.db2.gz XRFKBZPBZMSIEQ-ZDUSSCGKSA-N 0 1 288.366 3.779 20 0 CHADMN COC(=O)c1cc(CN[C@H](C)c2ccc(C)s2)oc1C ZINC000049161131 1119087575 /nfs/dbraw/zinc/08/75/75/1119087575.db2.gz QQAVEHYYYAUGHO-SNVBAGLBSA-N 0 1 293.388 3.595 20 0 CHADMN C[C@H](c1ccc(F)cc1F)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342583380 1119091534 /nfs/dbraw/zinc/09/15/34/1119091534.db2.gz HOOPFNGELGUTNY-YPMHNXCESA-N 0 1 269.335 3.527 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342583377 1119091747 /nfs/dbraw/zinc/09/17/47/1119091747.db2.gz HOOPFNGELGUTNY-AAEUAGOBSA-N 0 1 269.335 3.527 20 0 CHADMN COc1ncc([C@@H](C)NCc2cscc2C)cc1Cl ZINC000342590564 1119094709 /nfs/dbraw/zinc/09/47/09/1119094709.db2.gz GUKYIADZRKZSOU-SNVBAGLBSA-N 0 1 296.823 3.964 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)CC[C@H]1CCCO1 ZINC000342612624 1119101097 /nfs/dbraw/zinc/10/10/97/1119101097.db2.gz YFPBAAFPPPDGJT-CJNGLKHVSA-N 0 1 283.362 3.917 20 0 CHADMN C[C@@H](CN(C)Cc1ccncc1Cl)c1ccccc1 ZINC000472229055 1119103214 /nfs/dbraw/zinc/10/32/14/1119103214.db2.gz IDMZEUGDEFORLE-ZDUSSCGKSA-N 0 1 274.795 3.971 20 0 CHADMN CC[C@@]1(C)CCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)C1 ZINC000468249829 1119113426 /nfs/dbraw/zinc/11/34/26/1119113426.db2.gz KUQMQLQNNJECLN-SFHVURJKSA-N 0 1 297.402 3.647 20 0 CHADMN CCCn1nccc1CN[C@H]1CCCc2c(F)cccc21 ZINC000657476743 1119120652 /nfs/dbraw/zinc/12/06/52/1119120652.db2.gz LHDKERWBCRNTJN-KRWDZBQOSA-N 0 1 287.382 3.599 20 0 CHADMN C[C@@H](C1CC1)N(Cc1nc(C2CC2)cs1)C1CC1 ZINC000342675030 1119121234 /nfs/dbraw/zinc/12/12/34/1119121234.db2.gz XQHNEPKVDKIABJ-JTQLQIEISA-N 0 1 262.422 3.783 20 0 CHADMN Cc1cccc2[nH]c(CNCc3ccc(C)c(C)n3)cc21 ZINC000657488892 1119127246 /nfs/dbraw/zinc/12/72/46/1119127246.db2.gz WMYQNUVBDKNVEO-UHFFFAOYSA-N 0 1 279.387 3.778 20 0 CHADMN O=C(Nc1ccccc1Cl)c1cn[nH]c1-c1ccccc1 ZINC000152816166 1119128445 /nfs/dbraw/zinc/12/84/45/1119128445.db2.gz WDDOQTXDMMUWHL-UHFFFAOYSA-N 0 1 297.745 3.982 20 0 CHADMN CC(C)(C)C1=CCN(Cc2cnc(C3CC3)o2)CC1 ZINC000628191614 1128824061 /nfs/dbraw/zinc/82/40/61/1128824061.db2.gz QJDVZXIFDJLNSV-UHFFFAOYSA-N 0 1 260.381 3.730 20 0 CHADMN CC[C@@H](NCc1ccnn1CC1CC1)c1ccccc1F ZINC000657505505 1119138215 /nfs/dbraw/zinc/13/82/15/1119138215.db2.gz QLTCNJKJPINXGT-QGZVFWFLSA-N 0 1 287.382 3.673 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)N1C[C@H]2CCC[C@@H]2C1 ZINC000152907110 1119140533 /nfs/dbraw/zinc/14/05/33/1119140533.db2.gz YEZSIFXICOPNJN-IJLUTSLNSA-N 0 1 289.404 3.591 20 0 CHADMN CCC[C@H](N[C@H]1CCCc2cccnc21)c1ccccn1 ZINC000684954546 1119141095 /nfs/dbraw/zinc/14/10/95/1119141095.db2.gz APCRBKYQIYOGMJ-IRXDYDNUSA-N 0 1 281.403 3.985 20 0 CHADMN COc1cc(C)ccc1CN[C@H]1CCCc2cccnc21 ZINC000684957924 1119142142 /nfs/dbraw/zinc/14/21/42/1119142142.db2.gz PSILQERYJPBBKC-INIZCTEOSA-N 0 1 282.387 3.566 20 0 CHADMN Cc1ccncc1[C@@H](C)N[C@H]1CCCc2cccnc21 ZINC000684958726 1119142666 /nfs/dbraw/zinc/14/26/66/1119142666.db2.gz UUIDVXRSYPKRDB-CJNGLKHVSA-N 0 1 267.376 3.513 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@H]1CCCc3cccnc31)CC2 ZINC000684958568 1119143128 /nfs/dbraw/zinc/14/31/28/1119143128.db2.gz PDGMINHBFSCUDF-SJORKVTESA-N 0 1 282.362 3.875 20 0 CHADMN COc1cc(C)cc(CN[C@@H]2CCCc3cccnc32)c1 ZINC000684959970 1119143381 /nfs/dbraw/zinc/14/33/81/1119143381.db2.gz JFCVDAPACHPIRS-QGZVFWFLSA-N 0 1 282.387 3.566 20 0 CHADMN CC[C@H]1CN(Cc2nc(C)c[nH]2)CC[C@@H]1c1ccccc1 ZINC000628188831 1128824724 /nfs/dbraw/zinc/82/47/24/1128824724.db2.gz KWTNUDDMYQNGBE-RDJZCZTQSA-N 0 1 283.419 3.734 20 0 CHADMN c1csc(-c2cnc(CN3C[C@@H]4CCC[C@@H]4C3)o2)c1 ZINC000153002304 1119152202 /nfs/dbraw/zinc/15/22/02/1119152202.db2.gz FETGOZAILIIINY-TXEJJXNPSA-N 0 1 274.389 3.635 20 0 CHADMN Cc1cnc(CN2CCCC3(C2)CCCCCC3)n1C ZINC000342788749 1119169005 /nfs/dbraw/zinc/16/90/05/1119169005.db2.gz KMHFAXZQPPDVAS-UHFFFAOYSA-N 0 1 275.440 3.665 20 0 CHADMN C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCC[C@@H]1C ZINC000076117924 1119183422 /nfs/dbraw/zinc/18/34/22/1119183422.db2.gz PHDBTPORIAZLOV-QWRGUYRKSA-N 0 1 291.782 3.935 20 0 CHADMN CC[C@@H](COCC1CC1)NCc1ncc(C(C)(C)C)s1 ZINC000657563422 1119186201 /nfs/dbraw/zinc/18/62/01/1119186201.db2.gz TXYDUNWBAFMKIX-ZDUSSCGKSA-N 0 1 296.480 3.735 20 0 CHADMN Cc1cc(C)cc(CNCc2cccnc2N2CCCC2)c1 ZINC000657569212 1119187633 /nfs/dbraw/zinc/18/76/33/1119187633.db2.gz HFPKVUMJHXIGNI-UHFFFAOYSA-N 0 1 295.430 3.588 20 0 CHADMN Cc1nc(C)c(CNCc2ccc([C@@H]3C[C@@H]3C)o2)s1 ZINC000076866793 1119188635 /nfs/dbraw/zinc/18/86/35/1119188635.db2.gz IIBAWIBUTZGSKL-TVQRCGJNSA-N 0 1 276.405 3.766 20 0 CHADMN CCC1CCN([C@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000077212115 1119190120 /nfs/dbraw/zinc/19/01/20/1119190120.db2.gz RIOWZDTXQHQIMW-CYBMUJFWSA-N 0 1 285.391 3.920 20 0 CHADMN Cc1ccc(NC(=O)CNC2(c3ccccc3)CC2)cc1C ZINC000077378447 1119192619 /nfs/dbraw/zinc/19/26/19/1119192619.db2.gz MJYNSHIHWOWHSZ-UHFFFAOYSA-N 0 1 294.398 3.521 20 0 CHADMN CC(C)(C)/C=C\C(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1 ZINC001167608840 1119195033 /nfs/dbraw/zinc/19/50/33/1119195033.db2.gz AIWRKCNNWHTMQR-PLNGDYQASA-N 0 1 295.745 3.896 20 0 CHADMN Cc1ccc([C@H](C)NCc2cc(C)nc(C)n2)c(C)c1 ZINC000342831060 1119199544 /nfs/dbraw/zinc/19/95/44/1119199544.db2.gz YLHSOITWFLFCPS-AWEZNQCLSA-N 0 1 269.392 3.561 20 0 CHADMN CC(C)[C@H](NCc1cncc(F)c1)c1ccccc1F ZINC000657614752 1119208334 /nfs/dbraw/zinc/20/83/34/1119208334.db2.gz IELQYNKASHZMPQ-INIZCTEOSA-N 0 1 276.330 3.847 20 0 CHADMN C[C@@H](c1ccccc1)N(C)Cc1cnn(C(C)(C)C)c1 ZINC000119383467 1119210627 /nfs/dbraw/zinc/21/06/27/1119210627.db2.gz COCVVBAXXMJXAY-AWEZNQCLSA-N 0 1 271.408 3.831 20 0 CHADMN Clc1oc2ccccc2c1CN[C@H]1COC2(CCC2)C1 ZINC000657631005 1119213954 /nfs/dbraw/zinc/21/39/54/1119213954.db2.gz UEPWSDVDELXYHV-LLVKDONJSA-N 0 1 291.778 3.887 20 0 CHADMN CCn1cc([C@@H](C)NCc2oc3ccccc3c2C)cn1 ZINC000120042877 1119228414 /nfs/dbraw/zinc/22/84/14/1119228414.db2.gz ANHLPJDOYVIPGX-CYBMUJFWSA-N 0 1 283.375 3.808 20 0 CHADMN CC(C)[C@H](C)N(Cc1nccn1Cc1ccccc1)C1CC1 ZINC000078530456 1119232367 /nfs/dbraw/zinc/23/23/67/1119232367.db2.gz HISYLHFXCQZICD-INIZCTEOSA-N 0 1 297.446 3.940 20 0 CHADMN Brc1ccsc1CN1CC2CCC1CC2 ZINC000307202689 1119232627 /nfs/dbraw/zinc/23/26/27/1119232627.db2.gz CTAQJJWFILXHJZ-UHFFFAOYSA-N 0 1 286.238 3.885 20 0 CHADMN CC(C)(C)c1cc(Nc2nc(F)ccc2F)ccn1 ZINC001213164538 1119239082 /nfs/dbraw/zinc/23/90/82/1119239082.db2.gz TWISTTBBYSZWFM-UHFFFAOYSA-N 0 1 263.291 3.796 20 0 CHADMN O=C(c1cccc2c[nH]nc21)N1CCC[C@H]1c1ccsc1 ZINC000342905119 1119239593 /nfs/dbraw/zinc/23/95/93/1119239593.db2.gz RYSPBVOROPXBAX-AWEZNQCLSA-N 0 1 297.383 3.602 20 0 CHADMN CN(Cc1ccccc1Cl)C[C@](C)(O)c1ccccc1 ZINC000051953729 1119242042 /nfs/dbraw/zinc/24/20/42/1119242042.db2.gz PONFCKAUFLFUBK-KRWDZBQOSA-N 0 1 289.806 3.680 20 0 CHADMN Oc1ccc2c(c1)[C@@H](NCc1sccc1Cl)CC2 ZINC000657693620 1119250179 /nfs/dbraw/zinc/25/01/79/1119250179.db2.gz NYVDCKFMFWTEMN-ZDUSSCGKSA-N 0 1 279.792 3.884 20 0 CHADMN CC[C@@H](N[C@H](C)c1cnc(C)s1)c1c(C)noc1C ZINC000090887644 1119254011 /nfs/dbraw/zinc/25/40/11/1119254011.db2.gz SSCNUHBZDADIBJ-PRHODGIISA-N 0 1 279.409 3.858 20 0 CHADMN Cc1ncc(CN(Cc2ccc(F)cc2)CC2CC2)o1 ZINC000628178278 1119254894 /nfs/dbraw/zinc/25/48/94/1119254894.db2.gz KNHKJMGQWKFJDL-UHFFFAOYSA-N 0 1 274.339 3.534 20 0 CHADMN CCC[C@H](N[C@@H](C)c1cn[nH]c1)c1ccc(F)cc1F ZINC000283897463 1119277298 /nfs/dbraw/zinc/27/72/98/1119277298.db2.gz CTWHLGZKPJUAMV-BONVTDFDSA-N 0 1 279.334 3.880 20 0 CHADMN Cc1nc2ccc(Nc3cc(C4CCC4)no3)cc2[nH]1 ZINC001213070367 1128834544 /nfs/dbraw/zinc/83/45/44/1128834544.db2.gz MTWVDIGNIXNMML-UHFFFAOYSA-N 0 1 268.320 3.870 20 0 CHADMN Cc1ccccc1Cc1noc(CN2CCCCC[C@H]2C)n1 ZINC000079435540 1119283959 /nfs/dbraw/zinc/28/39/59/1119283959.db2.gz UDUGQGHUCISGKF-OAHLLOKOSA-N 0 1 299.418 3.733 20 0 CHADMN Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cn1 ZINC000153742908 1119284368 /nfs/dbraw/zinc/28/43/68/1119284368.db2.gz SGEDSHREVCZCBV-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2c2cccc(F)c2)cn1 ZINC000153742908 1119284371 /nfs/dbraw/zinc/28/43/71/1119284371.db2.gz SGEDSHREVCZCBV-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1ccc(OC2CCN(Cc3ccc(C)nc3)CC2)cc1 ZINC000153758707 1119285116 /nfs/dbraw/zinc/28/51/16/1119285116.db2.gz WFRWTCXZIJZCET-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN Cc1ccc(CN2CCC(Nc3ccc(F)cc3)CC2)cn1 ZINC000153781919 1119286088 /nfs/dbraw/zinc/28/60/88/1119286088.db2.gz RFNXDTGZWZPCPN-UHFFFAOYSA-N 0 1 299.393 3.606 20 0 CHADMN COc1ccc([C@H]2C[C@@H]2[C@H](C)N[C@H]2CCCC2(F)F)cc1 ZINC000672621901 1119289156 /nfs/dbraw/zinc/28/91/56/1119289156.db2.gz NEBSALBLTDYCPB-SRMUXQRQSA-N 0 1 295.373 3.965 20 0 CHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(F)cn2)cc1 ZINC000147825027 1119294535 /nfs/dbraw/zinc/29/45/35/1119294535.db2.gz NCFNWXOIRSUKDK-NEPJUHHUSA-N 0 1 274.339 3.641 20 0 CHADMN Cc1nc2ccc(NC(=O)c3oc(C(C)C)nc3C)cc2[nH]1 ZINC000343063044 1119295451 /nfs/dbraw/zinc/29/54/51/1119295451.db2.gz FNNIQQIJCYVUFG-UHFFFAOYSA-N 0 1 298.346 3.543 20 0 CHADMN Cc1noc(C)c1CN[C@H]1CCCOc2ccc(C)cc21 ZINC000153944140 1119296933 /nfs/dbraw/zinc/29/69/33/1119296933.db2.gz IQGVXWHQIBYZGT-INIZCTEOSA-N 0 1 286.375 3.603 20 0 CHADMN CCOc1cccc(CN[C@@H](c2cccs2)C2CC2)n1 ZINC000343069606 1119297976 /nfs/dbraw/zinc/29/79/76/1119297976.db2.gz CMHDDNQAWHJQFJ-MRXNPFEDSA-N 0 1 288.416 3.783 20 0 CHADMN CCOc1ccc([C@@H](C)NCc2occc2C)cc1OC ZINC000343070347 1119299020 /nfs/dbraw/zinc/29/90/20/1119299020.db2.gz HZWSRSDJKMICSC-CYBMUJFWSA-N 0 1 289.375 3.846 20 0 CHADMN Fc1ccccc1CNCc1cnc(-c2ccncc2)s1 ZINC000343080774 1119303264 /nfs/dbraw/zinc/30/32/64/1119303264.db2.gz VAMKIAUHOZVSRU-UHFFFAOYSA-N 0 1 299.374 3.634 20 0 CHADMN CCCCC[C@H](C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)C(C)C ZINC000161579013 1119310315 /nfs/dbraw/zinc/31/03/15/1119310315.db2.gz PVGDJDBIZNFVMH-BBRMVZONSA-N 0 1 293.455 3.618 20 0 CHADMN Cc1ncc(CN[C@H]2CCc3ccc(Cl)cc32)s1 ZINC000343104426 1119313142 /nfs/dbraw/zinc/31/31/42/1119313142.db2.gz RLZRUEHKALOYNN-AWEZNQCLSA-N 0 1 278.808 3.882 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2c(C)noc2C)cc1F ZINC000092326369 1119327027 /nfs/dbraw/zinc/32/70/27/1119327027.db2.gz XXWWAPHIJKGLPN-NXEZZACHSA-N 0 1 292.354 3.851 20 0 CHADMN C[C@H]1CCCN(Cc2nnc(-c3ccccc3)s2)CC1 ZINC000155137241 1119328184 /nfs/dbraw/zinc/32/81/84/1119328184.db2.gz ZTMDSNMYZXDABT-ZDUSSCGKSA-N 0 1 287.432 3.827 20 0 CHADMN Cc1ncc(CN2CC=C(c3cccc(C)c3C)CC2)o1 ZINC000934846033 1119329793 /nfs/dbraw/zinc/32/97/93/1119329793.db2.gz OBAGJEORXNPPQR-UHFFFAOYSA-N 0 1 282.387 3.889 20 0 CHADMN C[C@@H]1CCCN(Cc2nnc(-c3ccccc3)s2)[C@@H]1C ZINC000155266845 1119331128 /nfs/dbraw/zinc/33/11/28/1119331128.db2.gz QTHCNLUAVJFOLO-CHWSQXEVSA-N 0 1 287.432 3.826 20 0 CHADMN CC(C)Cc1cc(=O)n(-c2c(F)cccc2Cl)[nH]1 ZINC000129756637 1119340066 /nfs/dbraw/zinc/34/00/66/1119340066.db2.gz BTDLGXGXSPFOQX-UHFFFAOYSA-N 0 1 268.719 3.569 20 0 CHADMN Cc1cc(Cl)ccc1CN[C@@H](C)c1ccccn1 ZINC000231745698 1119341752 /nfs/dbraw/zinc/34/17/52/1119341752.db2.gz GBFDSSYJSAOEKU-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1cccc([C@H](C)N[C@@H]2CCc3cccnc32)c1 ZINC000226825737 1119342588 /nfs/dbraw/zinc/34/25/88/1119342588.db2.gz VMJDRAACAWOZMB-XJKSGUPXSA-N 0 1 252.361 3.728 20 0 CHADMN CCCCN(C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000098068828 1119346048 /nfs/dbraw/zinc/34/60/48/1119346048.db2.gz KZNBHZFILIZOBD-UHFFFAOYSA-N 0 1 289.206 3.664 20 0 CHADMN Cc1nc(C)c(CN[C@@H](C)c2ccccc2Cl)[nH]1 ZINC000724794649 1119350999 /nfs/dbraw/zinc/35/09/99/1119350999.db2.gz XSOUQISVIOJEEQ-VIFPVBQESA-N 0 1 263.772 3.531 20 0 CHADMN Cc1nc2ccc(Nc3ncc(Cl)cc3F)cc2[nH]1 ZINC001213070624 1128840528 /nfs/dbraw/zinc/84/05/28/1128840528.db2.gz ZRORVBJUMAJERN-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1ccccc1CN1CC=C(C(F)(F)F)CC1 ZINC000536038966 1119362357 /nfs/dbraw/zinc/36/23/57/1119362357.db2.gz LOLCIZOOFRPAAV-UHFFFAOYSA-N 0 1 255.283 3.689 20 0 CHADMN CC[N@@H+](Cc1ccc(F)cc1C)C1CCC(C(=O)[O-])CC1 ZINC000583511530 1119369405 /nfs/dbraw/zinc/36/94/05/1119369405.db2.gz KAUIUHSVOCIOQP-UHFFFAOYSA-N 0 1 293.382 3.599 20 0 CHADMN Clc1cc(CN2CCC[C@@H]2C2CC2)cc(Cl)n1 ZINC000728571057 1119379570 /nfs/dbraw/zinc/37/95/70/1119379570.db2.gz AFIIXVPYTZSTMP-LLVKDONJSA-N 0 1 271.191 3.763 20 0 CHADMN Cc1nc(CN[C@H](c2ccccc2C)C2CC2)[nH]c1C ZINC000583576547 1119379747 /nfs/dbraw/zinc/37/97/47/1119379747.db2.gz UPXJIQWALGJQQL-KRWDZBQOSA-N 0 1 269.392 3.576 20 0 CHADMN CCCCC[C@@H](C)NC(=O)c1sccc1CN(C)C ZINC000268021516 1119386817 /nfs/dbraw/zinc/38/68/17/1119386817.db2.gz JHVPEFQJCZHOKG-GFCCVEGCSA-N 0 1 282.453 3.508 20 0 CHADMN CC(C)CCCN1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000429057347 1119389904 /nfs/dbraw/zinc/38/99/04/1119389904.db2.gz ZWNVFFWVGBQBQJ-HIFRSBDPSA-N 0 1 267.438 3.946 20 0 CHADMN c1nc(C2CC2)sc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC000583665840 1119391788 /nfs/dbraw/zinc/39/17/88/1119391788.db2.gz PJOKSMRIGRENDJ-CQSZACIVSA-N 0 1 274.433 3.785 20 0 CHADMN COc1cccc(C2(NCc3cnc(C)s3)CCC2)c1 ZINC000657781045 1119393959 /nfs/dbraw/zinc/39/39/59/1119393959.db2.gz GLRPKZXNLXMDIJ-UHFFFAOYSA-N 0 1 288.416 3.629 20 0 CHADMN Cc1cc(CN2CC[C@@H]3CCO[C@H]3C2)cc(C(F)(F)F)c1 ZINC001143450283 1119394028 /nfs/dbraw/zinc/39/40/28/1119394028.db2.gz HWTKDEHXLMKOHG-HIFRSBDPSA-N 0 1 299.336 3.625 20 0 CHADMN Cc1ccc(CN[C@H](CC(C)C)c2ccncc2)nc1C ZINC000647307233 1119408320 /nfs/dbraw/zinc/40/83/20/1119408320.db2.gz WOZLMJKPGVEUIY-GOSISDBHSA-N 0 1 283.419 3.970 20 0 CHADMN C/C(=C/c1ccc(Cl)cc1)CN[C@@H](C)c1nccn1C ZINC000657794768 1119414873 /nfs/dbraw/zinc/41/48/73/1119414873.db2.gz WDARGKSDKBMSEY-UKVQZPPCSA-N 0 1 289.810 3.828 20 0 CHADMN CCSc1cccc(NS(=O)(=O)c2ccsc2)c1 ZINC000349946784 1119425021 /nfs/dbraw/zinc/42/50/21/1119425021.db2.gz UYRUZOOJVIGCMW-UHFFFAOYSA-N 0 1 299.442 3.661 20 0 CHADMN Fc1c(Cl)cccc1CNCCC(F)(F)F ZINC000131141687 1119425043 /nfs/dbraw/zinc/42/50/43/1119425043.db2.gz GNOJSYZGJHGDRF-UHFFFAOYSA-N 0 1 255.642 3.521 20 0 CHADMN C[C@H](N(C)C(=O)c1cc(C2CCCCC2)[nH]n1)C(C)(C)C ZINC000536155953 1119430442 /nfs/dbraw/zinc/43/04/42/1119430442.db2.gz VSZLMKLTYUDZEF-LBPRGKRZSA-N 0 1 291.439 3.964 20 0 CHADMN CCCCC[C@H](C)N[C@H]1c2cc(C)ccc2NC1=O ZINC000036792143 1119432663 /nfs/dbraw/zinc/43/26/63/1119432663.db2.gz RYVVKXJYGIFRRE-WFASDCNBSA-N 0 1 260.381 3.547 20 0 CHADMN Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000343531894 1119444642 /nfs/dbraw/zinc/44/46/42/1119444642.db2.gz GNHXCCUDKNLNLB-GDBMZVCRSA-N 0 1 261.413 3.537 20 0 CHADMN C[C@@H](N[C@@H]1CCCN(C)c2ccccc21)c1ccns1 ZINC000926542974 1119446723 /nfs/dbraw/zinc/44/67/23/1119446723.db2.gz ZUWBXAUEVRTOJU-TZMCWYRMSA-N 0 1 287.432 3.765 20 0 CHADMN C[C@@H](O)[C@@H](NCc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000657816718 1119452844 /nfs/dbraw/zinc/45/28/44/1119452844.db2.gz KTOKERSXNIUDHF-BDJLRTHQSA-N 0 1 293.769 3.691 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccn1)c1ccc(C(F)F)nc1 ZINC000657818512 1119457718 /nfs/dbraw/zinc/45/77/18/1119457718.db2.gz UIPCTOYVZGJGHZ-MNOVXSKESA-N 0 1 277.318 3.826 20 0 CHADMN C[C@@H](O)[C@@H](N[C@@H](C)c1ccccc1F)c1ccccc1 ZINC000657818988 1119459451 /nfs/dbraw/zinc/45/94/51/1119459451.db2.gz PHZZMSYTJFXEPF-OGHNNQOOSA-N 0 1 273.351 3.598 20 0 CHADMN CSc1ccc(CN[C@@H](c2ccccc2)[C@@H](C)O)s1 ZINC000657819351 1119461005 /nfs/dbraw/zinc/46/10/05/1119461005.db2.gz RFCXYCOISDSTSA-IAQYHMDHSA-N 0 1 293.457 3.682 20 0 CHADMN Oc1cccc(CN(Cc2cnc(C3CC3)o2)CC2CC2)c1 ZINC000628157984 1119465458 /nfs/dbraw/zinc/46/54/58/1119465458.db2.gz BPJZLAFKCUGNSE-UHFFFAOYSA-N 0 1 298.386 3.670 20 0 CHADMN Cc1ccc2nc(SCc3ccc(CO)cc3)[nH]c2c1 ZINC000168686937 1119468753 /nfs/dbraw/zinc/46/87/53/1119468753.db2.gz SYYJUHIYKPPEEE-UHFFFAOYSA-N 0 1 284.384 3.656 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccnc1)c1cc2cnccc2o1 ZINC000657824458 1119470145 /nfs/dbraw/zinc/47/01/45/1119470145.db2.gz JDVUTWQFOPQPRX-NWDGAFQWSA-N 0 1 267.332 3.635 20 0 CHADMN Cc1cc(C)c(CN[C@@H]2CCc3c2nccc3Cl)cn1 ZINC000926552465 1119472712 /nfs/dbraw/zinc/47/27/12/1119472712.db2.gz WDAJLTQQIXKBPO-OAHLLOKOSA-N 0 1 287.794 3.524 20 0 CHADMN C[C@H](C[N@H+](Cc1ccccc1)CC1=CCCCC1)C(=O)[O-] ZINC000565103282 1119473391 /nfs/dbraw/zinc/47/33/91/1119473391.db2.gz DVVUULHVMFZQBC-OAHLLOKOSA-N 0 1 287.403 3.710 20 0 CHADMN Cc1ccc(-c2ccc(C[N@H+]3[C@H](C)CC[C@@H]3C(=O)[O-])o2)cc1 ZINC000650794089 1119475527 /nfs/dbraw/zinc/47/55/27/1119475527.db2.gz SEKIAVDDTXVBMU-CZUORRHYSA-N 0 1 299.370 3.693 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)c1ccccc1C ZINC000158883779 1119475670 /nfs/dbraw/zinc/47/56/70/1119475670.db2.gz RSMWBMPXNIJUII-LBPRGKRZSA-N 0 1 285.391 3.641 20 0 CHADMN Cc1occc1CNCc1cccc(-c2ccccn2)c1 ZINC000343639592 1119477588 /nfs/dbraw/zinc/47/75/88/1119477588.db2.gz LZHTXNUBTDGUMU-UHFFFAOYSA-N 0 1 278.355 3.940 20 0 CHADMN CCOc1ncccc1CN[C@@H](C)c1ccccc1C ZINC000158936352 1119478293 /nfs/dbraw/zinc/47/82/93/1119478293.db2.gz GPVQKJTYQZJPBO-AWEZNQCLSA-N 0 1 270.376 3.640 20 0 CHADMN CC(C)C[C@H](C[N@H+](CC(=O)[O-])CC1CC1)c1ccccc1 ZINC000650799301 1119483795 /nfs/dbraw/zinc/48/37/95/1119483795.db2.gz YPIUAOSPDZHVHR-QGZVFWFLSA-N 0 1 289.419 3.613 20 0 CHADMN CC[C@@H]1CN(Cc2cnc(C3CCCC3)s2)CCCO1 ZINC000343681594 1119486110 /nfs/dbraw/zinc/48/61/10/1119486110.db2.gz QPABFIYVROXYKZ-CQSZACIVSA-N 0 1 294.464 3.802 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CCC[C@@H](C)CC1 ZINC000343731041 1119497020 /nfs/dbraw/zinc/49/70/20/1119497020.db2.gz YSTTVRQVHOOFQW-CYBMUJFWSA-N 0 1 289.398 3.817 20 0 CHADMN Clc1cc2c(cc1CN1CCCC13CCC3)OCCO2 ZINC000343740479 1119499316 /nfs/dbraw/zinc/49/93/16/1119499316.db2.gz FYYKVNSMTXZWQB-UHFFFAOYSA-N 0 1 293.794 3.630 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2ccc(C(F)F)nc2)cn1 ZINC000657839943 1119503083 /nfs/dbraw/zinc/50/30/83/1119503083.db2.gz IYXIKUBNGFTALH-NSHDSACASA-N 0 1 277.318 3.573 20 0 CHADMN C[C@H](N[C@@H]1CCCn2nccc21)c1ccc(F)c(Cl)c1 ZINC000657848176 1119508515 /nfs/dbraw/zinc/50/85/15/1119508515.db2.gz KBCCRGRTMHNKCD-IINYFYTJSA-N 0 1 293.773 3.861 20 0 CHADMN CC(C)COc1cccc(CN[C@@H]2CCCn3nccc32)c1 ZINC000657847331 1119509514 /nfs/dbraw/zinc/50/95/14/1119509514.db2.gz BCQQPBDYNAGJIA-QGZVFWFLSA-N 0 1 299.418 3.543 20 0 CHADMN CN(Cc1cc(Cl)ccc1Br)CC1CC1 ZINC000308901011 1119510278 /nfs/dbraw/zinc/51/02/78/1119510278.db2.gz KFNRRVWPFHZNHW-UHFFFAOYSA-N 0 1 288.616 3.944 20 0 CHADMN C[C@H](C1CCC1)N(C)Cc1nc(C2CC2)cs1 ZINC000343762163 1119510467 /nfs/dbraw/zinc/51/04/67/1119510467.db2.gz KQJNJWQUGHWPRU-SNVBAGLBSA-N 0 1 250.411 3.641 20 0 CHADMN Cc1c2cc(F)ccc2oc1CN[C@@H]1CCCn2nccc21 ZINC000657850847 1119514663 /nfs/dbraw/zinc/51/46/63/1119514663.db2.gz XVVSWEXLAYQBEQ-CQSZACIVSA-N 0 1 299.349 3.702 20 0 CHADMN CCOc1ccccc1[C@H](CC)NCc1ccc(F)nc1 ZINC000189022036 1128851230 /nfs/dbraw/zinc/85/12/30/1128851230.db2.gz WIQHDUMHOPSOTG-HNNXBMFYSA-N 0 1 288.366 3.860 20 0 CHADMN COCCCCCN1CC[C@H]1c1ccc(Cl)cc1 ZINC000081604340 1119518825 /nfs/dbraw/zinc/51/88/25/1119518825.db2.gz JKYSSEBXSUBLEA-HNNXBMFYSA-N 0 1 267.800 3.904 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2CCCc3c(C)cccc32)o1 ZINC000628352434 1128851460 /nfs/dbraw/zinc/85/14/60/1128851460.db2.gz ISQOYBZUPFWECM-MRXNPFEDSA-N 0 1 270.376 3.767 20 0 CHADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]C[C@@H]2CCCC(C)(C)C2)n1 ZINC000628374869 1128852169 /nfs/dbraw/zinc/85/21/69/1128852169.db2.gz IQLACLWEONTPCS-CYBMUJFWSA-N 0 1 291.439 3.532 20 0 CHADMN Cc1occc1CN[C@H](C)c1cncc(Br)c1 ZINC000657858101 1119534946 /nfs/dbraw/zinc/53/49/46/1119534946.db2.gz XJWARTIGOZBBFW-SECBINFHSA-N 0 1 295.180 3.596 20 0 CHADMN CC[C@@H](C[NH2+]C(C)(C)c1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000628375035 1128852517 /nfs/dbraw/zinc/85/25/17/1128852517.db2.gz VXXOLEHLGAKOLM-AWEZNQCLSA-N 0 1 299.418 3.509 20 0 CHADMN Cc1ccnc(NC[C@@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000089641403 1119540245 /nfs/dbraw/zinc/54/02/45/1119540245.db2.gz LANNPKWBIDGXPW-CYBMUJFWSA-N 0 1 294.358 3.656 20 0 CHADMN Cc1ncc([C@@H](C)N[C@H]2CCc3ccc(F)cc32)c(C)n1 ZINC000089552409 1119542310 /nfs/dbraw/zinc/54/23/10/1119542310.db2.gz NXFUHJBCTQCFNN-DIFFPNOSSA-N 0 1 285.366 3.571 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@H]1COc2ccc(C)cc21 ZINC000090452836 1119544384 /nfs/dbraw/zinc/54/43/84/1119544384.db2.gz VIYGDUNNYGDIBS-SJORKVTESA-N 0 1 295.382 3.714 20 0 CHADMN COc1cc(F)cc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)c1 ZINC000628392532 1128853405 /nfs/dbraw/zinc/85/34/05/1128853405.db2.gz RQYSGEKHLLQXMC-GHMZBOCLSA-N 0 1 287.325 3.557 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc3c(c1)OCO3)CO2 ZINC000090452855 1119544730 /nfs/dbraw/zinc/54/47/30/1119544730.db2.gz IYHXCLVNXNSLFP-SWLSCSKDSA-N 0 1 297.354 3.508 20 0 CHADMN C[C@H](NCc1ccnc(OC2CCC2)c1)c1ccsc1 ZINC000090912228 1119546506 /nfs/dbraw/zinc/54/65/06/1119546506.db2.gz ALIYGCZCKSWGDD-LBPRGKRZSA-N 0 1 288.416 3.925 20 0 CHADMN Cc1c(CN[C@@H](C)c2cc(Cl)cc(Cl)c2)cnn1C ZINC000090887944 1119546775 /nfs/dbraw/zinc/54/67/75/1119546775.db2.gz ASJIQXYXBTYZKC-VIFPVBQESA-N 0 1 298.217 3.886 20 0 CHADMN CCc1ccc([C@@H](CO)N[C@@H](C)c2ccccc2OC)cc1 ZINC000090843732 1119549480 /nfs/dbraw/zinc/54/94/80/1119549480.db2.gz WIGTUYBAAWFFPD-KBXCAEBGSA-N 0 1 299.414 3.642 20 0 CHADMN COc1ccccc1[C@@H]1CCCN1Cc1cnc(C)s1 ZINC000170785621 1119551617 /nfs/dbraw/zinc/55/16/17/1119551617.db2.gz BHXWJKXBYDTXKZ-HNNXBMFYSA-N 0 1 288.416 3.797 20 0 CHADMN COC[C@@H](NCc1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000091071606 1119551861 /nfs/dbraw/zinc/55/18/61/1119551861.db2.gz KSFMCLQRICDLNB-QGZVFWFLSA-N 0 1 291.341 3.751 20 0 CHADMN CCn1c2ccccc2nc1CN(C)CC(C)(C)C ZINC000092217698 1119559435 /nfs/dbraw/zinc/55/94/35/1119559435.db2.gz WVHRFARBNNDZPC-UHFFFAOYSA-N 0 1 259.397 3.534 20 0 CHADMN C[C@@H](N[C@H]1CCc2cc(F)ccc21)c1ccc(F)cn1 ZINC000092742094 1119564918 /nfs/dbraw/zinc/56/49/18/1119564918.db2.gz CNBYWAKTNUUSSC-HWPZZCPQSA-N 0 1 274.314 3.698 20 0 CHADMN C[C@@H]1[C@@H](C)CCCN1Cc1ncccc1C(F)(F)F ZINC000092737183 1119565424 /nfs/dbraw/zinc/56/54/24/1119565424.db2.gz AHBITGCILRXIRB-WDEREUQCSA-N 0 1 272.314 3.721 20 0 CHADMN Cc1ccc(CN[C@H]2CCCc3ccc(F)cc32)nc1 ZINC000093115954 1119569997 /nfs/dbraw/zinc/56/99/97/1119569997.db2.gz GGHCTBCOUALEIK-KRWDZBQOSA-N 0 1 270.351 3.696 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCCN(Cc1ccncc1)C1CC1 ZINC000093221995 1119570666 /nfs/dbraw/zinc/57/06/66/1119570666.db2.gz RTTZRBJDFSBNKX-QAPCUYQASA-N 0 1 288.435 3.641 20 0 CHADMN c1c(CN2CC[C@H]3CC[C@@H](C2)S3)[nH]nc1-c1ccccc1 ZINC000628422863 1128857712 /nfs/dbraw/zinc/85/77/12/1128857712.db2.gz OSWSVQGSNQWDQD-CVEARBPZSA-N 0 1 299.443 3.547 20 0 CHADMN CC(C)c1ccc([C@H]2CCCN2Cc2cc[nH]n2)cc1 ZINC000093814551 1119572590 /nfs/dbraw/zinc/57/25/90/1119572590.db2.gz BVZOVMUSCQDTLC-QGZVFWFLSA-N 0 1 269.392 3.870 20 0 CHADMN C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000140533096 1119579124 /nfs/dbraw/zinc/57/91/24/1119579124.db2.gz CHZNIBMBTLADRF-NEPJUHHUSA-N 0 1 299.361 3.848 20 0 CHADMN C[C@@H](c1ccc(OC(F)F)cc1)N1C[C@@H](C)OC(C)(C)C1 ZINC000140533096 1119579126 /nfs/dbraw/zinc/57/91/26/1119579126.db2.gz CHZNIBMBTLADRF-NEPJUHHUSA-N 0 1 299.361 3.848 20 0 CHADMN COc1ccc(C2(NCc3cnc(C)o3)CCCC2)cc1 ZINC000628215241 1119581083 /nfs/dbraw/zinc/58/10/83/1119581083.db2.gz CNZCGOJCBORMDG-UHFFFAOYSA-N 0 1 286.375 3.551 20 0 CHADMN CCOC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])C(C)C ZINC000189351548 1119591930 /nfs/dbraw/zinc/59/19/30/1119591930.db2.gz AKUAINPTPIFVRX-RISCZKNCSA-N 0 1 285.815 3.757 20 0 CHADMN CCc1nc(C)c(NC(=O)c2c(O)cccc2Cl)s1 ZINC000779308993 1128857765 /nfs/dbraw/zinc/85/77/65/1128857765.db2.gz GUYDWBIKUDGMCE-UHFFFAOYSA-N 0 1 296.779 3.625 20 0 CHADMN CC(C)n1ccnc1CN1CCC[C@H]2CCCC[C@@H]21 ZINC000171561180 1119597374 /nfs/dbraw/zinc/59/73/74/1119597374.db2.gz BREWWZAZYSAZOH-CABCVRRESA-N 0 1 261.413 3.619 20 0 CHADMN CN(C/C=C/c1ccc(F)c(F)c1)Cc1ccco1 ZINC000685408265 1119604037 /nfs/dbraw/zinc/60/40/37/1119604037.db2.gz CLGJDJYTXGRGTK-DUXPYHPUSA-N 0 1 263.287 3.703 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000466915596 1119604723 /nfs/dbraw/zinc/60/47/23/1119604723.db2.gz LJKYSVPSIFZCDI-TXEJJXNPSA-N 0 1 295.810 3.874 20 0 CHADMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000466916500 1119618816 /nfs/dbraw/zinc/61/88/16/1119618816.db2.gz ULDQZPYJUISVJK-XJKSGUPXSA-N 0 1 287.382 3.632 20 0 CHADMN OC[C@H](NCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000038110984 1119621568 /nfs/dbraw/zinc/62/15/68/1119621568.db2.gz DSSZZBBMRPUGEY-HNNXBMFYSA-N 0 1 295.304 3.529 20 0 CHADMN C[C@@H](NC[C@H]1CCCCC1(F)F)c1nccs1 ZINC000294224222 1119622527 /nfs/dbraw/zinc/62/25/27/1119622527.db2.gz NUXVXFHIKIMIJP-NXEZZACHSA-N 0 1 260.353 3.619 20 0 CHADMN FC(F)[C@@H]1CCN(Cc2cc(Cl)nc3ccccc23)C1 ZINC000782524263 1119625439 /nfs/dbraw/zinc/62/54/39/1119625439.db2.gz JBBNQTBIWJDUBV-SNVBAGLBSA-N 0 1 296.748 3.975 20 0 CHADMN FCC1(CF)CC(NCc2csc(-c3ccco3)n2)C1 ZINC000657907867 1119625441 /nfs/dbraw/zinc/62/54/41/1119625441.db2.gz SDFANFQPZLANDW-UHFFFAOYSA-N 0 1 298.358 3.581 20 0 CHADMN Cc1nc(C)c(CN2CC=C(c3cccc(C)c3)CC2)o1 ZINC000685570779 1119633408 /nfs/dbraw/zinc/63/34/08/1119633408.db2.gz ZEUYHZJIDZEGLX-UHFFFAOYSA-N 0 1 282.387 3.889 20 0 CHADMN CC[C@H](c1cccc(OC)c1)N(C)Cc1oc(C)nc1C ZINC000685585294 1119635166 /nfs/dbraw/zinc/63/51/66/1119635166.db2.gz KDLPQJCDJXLLNZ-MRXNPFEDSA-N 0 1 288.391 3.883 20 0 CHADMN C[C@H](N[C@@H]1CCCC12CCCCC2)c1csnn1 ZINC000398303352 1119636819 /nfs/dbraw/zinc/63/68/19/1119636819.db2.gz NYNBCAVNDQHJAI-WCQYABFASA-N 0 1 265.426 3.692 20 0 CHADMN CCc1ccc([C@H](NCc2n[nH]cc2C)C(C)C)cc1 ZINC000685612321 1119637545 /nfs/dbraw/zinc/63/75/45/1119637545.db2.gz BXBIWENSWGKUMT-QGZVFWFLSA-N 0 1 271.408 3.767 20 0 CHADMN Cc1c[nH]nc1CN[C@H](Cc1ccccc1)c1cccs1 ZINC000685616459 1119638627 /nfs/dbraw/zinc/63/86/27/1119638627.db2.gz XNANHAGFUNYHMO-OAHLLOKOSA-N 0 1 297.427 3.853 20 0 CHADMN Cc1cn[nH]c1CNc1ccc(F)cc1OC1CCCC1 ZINC000685619507 1119639144 /nfs/dbraw/zinc/63/91/44/1119639144.db2.gz IHGXKJBVPJRJFW-UHFFFAOYSA-N 0 1 289.354 3.791 20 0 CHADMN CC[C@H](C)c1cccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)c1 ZINC000628431044 1128859690 /nfs/dbraw/zinc/85/96/90/1128859690.db2.gz MXKCYTPXEJJVPZ-JSGCOSHPSA-N 0 1 297.402 3.667 20 0 CHADMN C[C@H](NCc1ccccc1CO)c1nccc2ccccc21 ZINC000685646002 1119643742 /nfs/dbraw/zinc/64/37/42/1119643742.db2.gz KBDXMFBRRPVHRQ-AWEZNQCLSA-N 0 1 292.382 3.578 20 0 CHADMN Fc1c(CN2CCCC(F)(F)CC2)cccc1OC1CC1 ZINC000628422443 1128859841 /nfs/dbraw/zinc/85/98/41/1128859841.db2.gz IVKMXLTYKZZTIV-UHFFFAOYSA-N 0 1 299.336 3.988 20 0 CHADMN COc1cccc(CN(C)C[C@@H](C)c2nccs2)c1F ZINC000192972238 1119661290 /nfs/dbraw/zinc/66/12/90/1119661290.db2.gz VNTJQMRGAVBHPG-LLVKDONJSA-N 0 1 294.395 3.526 20 0 CHADMN CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000030144025 1119662007 /nfs/dbraw/zinc/66/20/07/1119662007.db2.gz XZPXOWZVJAXAAA-UONOGXRCSA-N 0 1 292.398 3.583 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2ccc(C(F)F)nc2)cn1 ZINC000658032278 1119668914 /nfs/dbraw/zinc/66/89/14/1119668914.db2.gz OZKZMGHLJUTSBT-GFCCVEGCSA-N 0 1 291.345 3.882 20 0 CHADMN C[C@@H](N[C@H]1COCc2ccccc21)c1cc2cnccc2o1 ZINC000658038222 1119670075 /nfs/dbraw/zinc/67/00/75/1119670075.db2.gz NQSYCEVTJYAKBS-WBMJQRKESA-N 0 1 294.354 3.750 20 0 CHADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1cc2cnccc2o1 ZINC000658037602 1119670574 /nfs/dbraw/zinc/67/05/74/1119670574.db2.gz YAHNVFQIGPAXHM-CYZMBNFOSA-N 0 1 262.328 3.759 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)Cc2ccc(F)cc2C)no1 ZINC000658091446 1119680876 /nfs/dbraw/zinc/68/08/76/1119680876.db2.gz SHWDKKTZUNCOHS-DGCLKSJQSA-N 0 1 276.355 3.712 20 0 CHADMN C[C@@H](NCc1cccnc1N1CCCC1)c1ccsc1 ZINC000658099254 1119682636 /nfs/dbraw/zinc/68/26/36/1119682636.db2.gz BGDDUEBBPQLCAK-CYBMUJFWSA-N 0 1 287.432 3.594 20 0 CHADMN Brc1cscc1CNCc1cccs1 ZINC000308455553 1119684978 /nfs/dbraw/zinc/68/49/78/1119684978.db2.gz DSNBYBDALRJYMR-UHFFFAOYSA-N 0 1 288.235 3.862 20 0 CHADMN COc1cccc(OC)c1CN[C@@H](C)c1ccc(C)cc1 ZINC000658122919 1119688656 /nfs/dbraw/zinc/68/86/56/1119688656.db2.gz XVLYOBJUYDHICN-AWEZNQCLSA-N 0 1 285.387 3.863 20 0 CHADMN C[C@@H](N[C@@H](C)C1(CO)CC1)c1cc(Cl)sc1Cl ZINC000658159846 1119693057 /nfs/dbraw/zinc/69/30/57/1119693057.db2.gz LDTQWUFCHJRLFH-SFYZADRCSA-N 0 1 294.247 3.867 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1cnn(C)c1)c1ccccc1F ZINC000658167239 1119695113 /nfs/dbraw/zinc/69/51/13/1119695113.db2.gz NYRUCVPOVJTBPU-LRDDRELGSA-N 0 1 275.371 3.607 20 0 CHADMN COC[C@H](N[C@H](C)c1cccs1)c1cccc(OC)c1 ZINC000658166492 1119695160 /nfs/dbraw/zinc/69/51/60/1119695160.db2.gz VKBUZSIQKODBMI-DOMZBBRYSA-N 0 1 291.416 3.795 20 0 CHADMN CCCCCCNCc1csc(C(F)(F)F)n1 ZINC000892426963 1119701028 /nfs/dbraw/zinc/70/10/28/1119701028.db2.gz KMYWXTANKOKQIU-UHFFFAOYSA-N 0 1 266.332 3.832 20 0 CHADMN COCc1csc(CN[C@H](C)c2cc(C)c(C)o2)c1 ZINC000658209046 1119701922 /nfs/dbraw/zinc/70/19/22/1119701922.db2.gz BBZUCQNVACIZNC-LLVKDONJSA-N 0 1 279.405 3.955 20 0 CHADMN COCc1csc(CN[C@@H](C)c2cc(C)c(C)o2)c1 ZINC000658209047 1119702048 /nfs/dbraw/zinc/70/20/48/1119702048.db2.gz BBZUCQNVACIZNC-NSHDSACASA-N 0 1 279.405 3.955 20 0 CHADMN C[C@@H](NC[C@H]1CCC[C@@H](C)O1)c1nc2c(s1)CCCC2 ZINC000658221535 1119704646 /nfs/dbraw/zinc/70/46/46/1119704646.db2.gz UJWHOXGNGFBMEV-JHJVBQTASA-N 0 1 294.464 3.630 20 0 CHADMN c1c[nH]c([C@@H](NCCCC2CCC2)c2ccccc2)n1 ZINC000658224980 1119705844 /nfs/dbraw/zinc/70/58/44/1119705844.db2.gz WAAAHISLWVUZEA-INIZCTEOSA-N 0 1 269.392 3.669 20 0 CHADMN Fc1ccc([C@H](NCCCC2CCC2)c2ncc[nH]2)cc1 ZINC000658224714 1119705994 /nfs/dbraw/zinc/70/59/94/1119705994.db2.gz VBZNIEMZCMCERT-INIZCTEOSA-N 0 1 287.382 3.808 20 0 CHADMN CC[C@@H](NCc1c(C2CC2)cnn1C)c1cccc(F)c1 ZINC000658213614 1119707215 /nfs/dbraw/zinc/70/72/15/1119707215.db2.gz RRKNJGPOFCGYFL-MRXNPFEDSA-N 0 1 287.382 3.678 20 0 CHADMN C[C@H](NCc1c(C2CC2)cnn1C)c1cc2ccccc2o1 ZINC000658215261 1119708171 /nfs/dbraw/zinc/70/81/71/1119708171.db2.gz GQLZJJIHDGKKNS-LBPRGKRZSA-N 0 1 295.386 3.895 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCc3ccc(O)cc32)c(C)o1 ZINC000658236288 1119709487 /nfs/dbraw/zinc/70/94/87/1119709487.db2.gz ICHFKEQCGPRUSY-PIGZYNQJSA-N 0 1 271.360 3.940 20 0 CHADMN CC[C@@H](NCc1cc(C2CC2)no1)c1ccccc1 ZINC000660177130 1128863857 /nfs/dbraw/zinc/86/38/57/1128863857.db2.gz FLWIYSGXICHIAB-OAHLLOKOSA-N 0 1 256.349 3.793 20 0 CHADMN C[C@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(Cl)cn1 ZINC000658240569 1119710977 /nfs/dbraw/zinc/71/09/77/1119710977.db2.gz ZKTWKQOHNBMSIG-QFYYESIMSA-N 0 1 288.778 3.779 20 0 CHADMN C[C@H](N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2)c1cscn1 ZINC000658254359 1119714373 /nfs/dbraw/zinc/71/43/73/1119714373.db2.gz PRQDTCSEDSDGHK-IACUBPJLSA-N 0 1 294.464 3.920 20 0 CHADMN Cc1c([C@@H](C)NC2(CC(C)C)CC2)nnn1-c1ccccc1 ZINC000658320902 1119723414 /nfs/dbraw/zinc/72/34/14/1119723414.db2.gz IQGSDVLRIIGVNA-CQSZACIVSA-N 0 1 298.434 3.805 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1csc(C)n1)C1CCCCC1 ZINC000658327562 1119725943 /nfs/dbraw/zinc/72/59/43/1119725943.db2.gz ORTZAUALKSXBRG-NHYWBVRUSA-N 0 1 282.453 3.697 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2N[C@H](C)c1ccncn1 ZINC000658341168 1119727930 /nfs/dbraw/zinc/72/79/30/1119727930.db2.gz VQXOPBDVSIWKAH-DYVFJYSZSA-N 0 1 267.376 3.513 20 0 CHADMN Cc1cccc2c1CCC[C@@H]2N[C@@H]1C[C@H](C)n2ccnc21 ZINC000658341456 1119728287 /nfs/dbraw/zinc/72/82/87/1119728287.db2.gz XXPHREPAVLNIQC-RRQGHBQHSA-N 0 1 281.403 3.865 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1ccc(Cl)nc1Cl ZINC000235397320 1119728446 /nfs/dbraw/zinc/72/84/46/1119728446.db2.gz BUNSNLQNCAJVDZ-MRVPVSSYSA-N 0 1 259.180 3.619 20 0 CHADMN COc1ccsc1[C@H](C)N[C@@H](c1ccccc1)[C@@H](C)O ZINC000658358997 1119730537 /nfs/dbraw/zinc/73/05/37/1119730537.db2.gz CKPOTKFGYXLLKJ-YWPYICTPSA-N 0 1 291.416 3.529 20 0 CHADMN COc1ccsc1[C@H](C)N[C@H](c1ccccc1)[C@H](C)O ZINC000658358995 1119730836 /nfs/dbraw/zinc/73/08/36/1119730836.db2.gz CKPOTKFGYXLLKJ-HUBLWGQQSA-N 0 1 291.416 3.529 20 0 CHADMN C[C@@H](O)[C@H](N[C@@H](C)c1ccsc1)c1ccccc1 ZINC000658361233 1119731422 /nfs/dbraw/zinc/73/14/22/1119731422.db2.gz LDQDQEGSUWDRMU-ZOWXZIJZSA-N 0 1 261.390 3.521 20 0 CHADMN CC(C)Cc1ccc(CNCc2ccccc2F)cn1 ZINC000892435713 1119732962 /nfs/dbraw/zinc/73/29/62/1119732962.db2.gz SBIWKWQIWVTBJM-UHFFFAOYSA-N 0 1 272.367 3.709 20 0 CHADMN CC[C@@H]1CCCCCN1Cc1cccc(Br)n1 ZINC000310191895 1119734661 /nfs/dbraw/zinc/73/46/61/1119734661.db2.gz YXXFDRLENWFBLV-CYBMUJFWSA-N 0 1 297.240 3.999 20 0 CHADMN CSc1cccc(N(C)C(=O)c2cccc3c[nH]nc32)c1 ZINC000101870224 1119736259 /nfs/dbraw/zinc/73/62/59/1119736259.db2.gz BFBJPWXUWRBWRO-UHFFFAOYSA-N 0 1 297.383 3.561 20 0 CHADMN COc1ccc(C)cc1[C@H](C)NCc1cnc(F)c(C)c1 ZINC000892461546 1119744587 /nfs/dbraw/zinc/74/45/87/1119744587.db2.gz HFDYNDFHBQBUJT-ZDUSSCGKSA-N 0 1 288.366 3.697 20 0 CHADMN Cc1cc(CN2CC[C@H]3CCC[C@H]32)ncc1Br ZINC000628242080 1119745373 /nfs/dbraw/zinc/74/53/73/1119745373.db2.gz RGDKLYKPQJQCHR-BXUZGUMPSA-N 0 1 295.224 3.527 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc(C)cc(C)c2)sn1 ZINC000404299406 1119750580 /nfs/dbraw/zinc/75/05/80/1119750580.db2.gz YTKSSHCMLDOJPI-ZDUSSCGKSA-N 0 1 260.406 3.919 20 0 CHADMN CCn1ccnc1CN[C@H](CC(C)C)c1ccccc1 ZINC000051922370 1119763357 /nfs/dbraw/zinc/76/33/57/1119763357.db2.gz PPWYBJJGWRVSES-MRXNPFEDSA-N 0 1 271.408 3.780 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CNCc1cccc(F)c1 ZINC000892479963 1119765362 /nfs/dbraw/zinc/76/53/62/1119765362.db2.gz VMYXLHFFNISFEA-UHFFFAOYSA-N 0 1 275.371 3.510 20 0 CHADMN CC[C@H](N[C@@H]1CCCc2n[nH]cc21)c1cc(F)ccc1F ZINC000375840341 1119766456 /nfs/dbraw/zinc/76/64/56/1119766456.db2.gz PASSLBQEFMYAQD-LSDHHAIUSA-N 0 1 291.345 3.806 20 0 CHADMN c1csc([C@@H](NCc2nccn2C2CC2)C2CC2)c1 ZINC000892488562 1119777977 /nfs/dbraw/zinc/77/79/77/1119777977.db2.gz PYUIICNQKREKSO-HNNXBMFYSA-N 0 1 273.405 3.520 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn2c(n1)CCCC2)c1ccccc1 ZINC000924542175 1119782134 /nfs/dbraw/zinc/78/21/34/1119782134.db2.gz JSUGJKXJMLTMLY-KGLIPLIRSA-N 0 1 269.392 3.631 20 0 CHADMN COC(=O)c1oc(CN[C@H]2CCCc3ccccc32)cc1C ZINC000612432533 1119787232 /nfs/dbraw/zinc/78/72/32/1119787232.db2.gz YGURIVIGMRDSOX-INIZCTEOSA-N 0 1 299.370 3.542 20 0 CHADMN C[C@@H](c1cccc(Br)c1)N1C[C@@H](C)[C@H]1C ZINC000584483482 1119792137 /nfs/dbraw/zinc/79/21/37/1119792137.db2.gz PBTPCWQRTVWKMH-MXWKQRLJSA-N 0 1 268.198 3.850 20 0 CHADMN C[C@H](c1cccc(Br)c1)N1C[C@@H](C)[C@H]1C ZINC000584483481 1119792253 /nfs/dbraw/zinc/79/22/53/1119792253.db2.gz PBTPCWQRTVWKMH-GMTAPVOTSA-N 0 1 268.198 3.850 20 0 CHADMN Cc1cc(F)ncc1CNCc1ccc(Cl)s1 ZINC000892500118 1119792587 /nfs/dbraw/zinc/79/25/87/1119792587.db2.gz JPXVIIZCJZTOSH-UHFFFAOYSA-N 0 1 270.760 3.534 20 0 CHADMN Cc1ncc(CNC/C=C\c2cc(C)c(C)cc2C)o1 ZINC000631156775 1119797390 /nfs/dbraw/zinc/79/73/90/1119797390.db2.gz DCWKVYYDQLQQRX-WAYWQWQTSA-N 0 1 270.376 3.711 20 0 CHADMN CSCCN[C@@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000924550501 1119804212 /nfs/dbraw/zinc/80/42/12/1119804212.db2.gz GBULEVFJYOHGAU-ZETCQYMHSA-N 0 1 298.761 3.767 20 0 CHADMN CC[C@H](NCc1cc(OC)ccn1)c1ccc(C)cc1 ZINC000343827437 1119808046 /nfs/dbraw/zinc/80/80/46/1119808046.db2.gz QUZQAKTUOHAZGJ-KRWDZBQOSA-N 0 1 270.376 3.640 20 0 CHADMN CC(C)[C@H](C(=O)NOC1CCCCC1)c1ccc(F)cc1 ZINC000779325804 1128871030 /nfs/dbraw/zinc/87/10/30/1128871030.db2.gz SORXNAXRKLPAQN-INIZCTEOSA-N 0 1 293.382 3.946 20 0 CHADMN C[C@@H]1CCCN(Cc2cc(Br)ccn2)C[C@H]1C ZINC001140762295 1119830403 /nfs/dbraw/zinc/83/04/03/1119830403.db2.gz UUNYRXZLLSRYJO-VXGBXAGGSA-N 0 1 297.240 3.712 20 0 CHADMN Cc1ccccc1CN[C@@H](C)c1cccc2c1OCO2 ZINC000924558667 1119830949 /nfs/dbraw/zinc/83/09/49/1119830949.db2.gz BRJBQDSQSPFMBU-ZDUSSCGKSA-N 0 1 269.344 3.575 20 0 CHADMN COCc1csc(CN[C@@H](C)c2cc(O)cc(F)c2)c1 ZINC000926705275 1119832926 /nfs/dbraw/zinc/83/29/26/1119832926.db2.gz RWSMVKFOJREXMB-JTQLQIEISA-N 0 1 295.379 3.590 20 0 CHADMN Cc1nn(C)c(Cl)c1CN1CCC[C@@H]1c1ccccc1 ZINC000066155385 1119833605 /nfs/dbraw/zinc/83/36/05/1119833605.db2.gz DBZVIYWKVGKTPJ-OAHLLOKOSA-N 0 1 289.810 3.719 20 0 CHADMN OCC[C@H](N[C@@H]1CCc2c1cccc2Cl)c1ccco1 ZINC000545279522 1119849344 /nfs/dbraw/zinc/84/93/44/1119849344.db2.gz BWBRMRJVOCXRJP-CABCVRRESA-N 0 1 291.778 3.634 20 0 CHADMN FC(F)(F)c1ccc(CNc2nccn2C2CC2)cc1 ZINC000236141681 1119865401 /nfs/dbraw/zinc/86/54/01/1119865401.db2.gz CHSKRQWHWGIHAZ-UHFFFAOYSA-N 0 1 281.281 3.849 20 0 CHADMN C[C@@H](C[NH2+]Cc1c(F)ccc([O-])c1F)Cc1cccs1 ZINC000511426971 1119865747 /nfs/dbraw/zinc/86/57/47/1119865747.db2.gz DUQMOCDOHQGUFJ-SNVBAGLBSA-N 0 1 297.370 3.700 20 0 CHADMN CC[C@H](N[C@H](C)c1cc2n(n1)CCC2)c1ccc(C)cc1 ZINC000414050306 1119867151 /nfs/dbraw/zinc/86/71/51/1119867151.db2.gz HJAKRWCUDGIREE-PBHICJAKSA-N 0 1 283.419 3.940 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc3cnccc3c2)CCC1(F)F ZINC000685849316 1119870965 /nfs/dbraw/zinc/87/09/65/1119870965.db2.gz QJXCXTBFTHGNGF-GFCCVEGCSA-N 0 1 276.330 3.712 20 0 CHADMN C[C@@H](N[C@H](c1ccccc1)C1CC1)c1cc2n(n1)CCC2 ZINC000414055786 1119871029 /nfs/dbraw/zinc/87/10/29/1119871029.db2.gz CZLSMOYQEAOKAU-FZKQIMNGSA-N 0 1 281.403 3.631 20 0 CHADMN COc1ccc(CN[C@H](c2ccc(C)cc2)C2CC2)o1 ZINC000892527041 1119875710 /nfs/dbraw/zinc/87/57/10/1119875710.db2.gz GOMNPEOHXDQTPT-QGZVFWFLSA-N 0 1 271.360 3.838 20 0 CHADMN CC[C@H](N[C@H](C)c1cc2n(n1)CCC2)c1ccc(OC)cc1 ZINC000414065403 1119877567 /nfs/dbraw/zinc/87/75/67/1119877567.db2.gz ONEKNHLTXOLUSE-DYVFJYSZSA-N 0 1 299.418 3.640 20 0 CHADMN CC[C@@H](N[C@H](C)c1cc2n(n1)CCC2)c1cccs1 ZINC000414070432 1119879857 /nfs/dbraw/zinc/87/98/57/1119879857.db2.gz LFHOCHHJVYXJNR-DGCLKSJQSA-N 0 1 275.421 3.693 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C1CCC(C2CC2)CC1 ZINC000613196161 1119883495 /nfs/dbraw/zinc/88/34/95/1119883495.db2.gz BZAKGJWDHSHWQO-UHFFFAOYSA-N 0 1 297.349 3.811 20 0 CHADMN C[C@H](N[C@H]1c2cccc(F)c2CC[C@H]1C)c1ccn(C)n1 ZINC000414092271 1119893482 /nfs/dbraw/zinc/89/34/82/1119893482.db2.gz FGRHJBUDEWSRQX-BWACUDIHSA-N 0 1 287.382 3.533 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1cc3n(n1)CCC3)[C@@H](C)C2 ZINC000414108801 1119901125 /nfs/dbraw/zinc/90/11/25/1119901125.db2.gz MKRCOSCFRZUQKF-CKFHNAJUSA-N 0 1 295.430 3.722 20 0 CHADMN C[C@H](N[C@@H]1c2ccccc2CC[C@H]1C)c1cc2n(n1)CCC2 ZINC000414112854 1119903480 /nfs/dbraw/zinc/90/34/80/1119903480.db2.gz YGEVGRUWJZGOMA-TYILLQQXSA-N 0 1 295.430 3.804 20 0 CHADMN Cc1cc(F)ccc1C[N@@H+](C)CCC(=O)c1cccs1 ZINC001140780622 1119907548 /nfs/dbraw/zinc/90/75/48/1119907548.db2.gz GJTNMZNPDXRFLI-UHFFFAOYSA-N 0 1 291.391 3.900 20 0 CHADMN Cc1cc(F)ccc1CN(C)CCC(=O)c1cccs1 ZINC001140780622 1119907552 /nfs/dbraw/zinc/90/75/52/1119907552.db2.gz GJTNMZNPDXRFLI-UHFFFAOYSA-N 0 1 291.391 3.900 20 0 CHADMN Cc1cccc(C)c1[C@@H](C)N[C@H](C)c1cc2n(n1)CCC2 ZINC000414125670 1119908860 /nfs/dbraw/zinc/90/88/60/1119908860.db2.gz CYGJOVFSVMOCGK-HUUCEWRRSA-N 0 1 283.419 3.858 20 0 CHADMN Cc1ccc(SC[C@H](C)N[C@@H](C)c2ccn(C)n2)cc1 ZINC000414131569 1119911221 /nfs/dbraw/zinc/91/12/21/1119911221.db2.gz LENGKEVNKMLLFK-KBPBESRZSA-N 0 1 289.448 3.560 20 0 CHADMN Cc1nc([C@@H](C)N[C@H]2CCC(F)(F)C2)c(C)s1 ZINC000310358932 1119911887 /nfs/dbraw/zinc/91/18/87/1119911887.db2.gz SUEFWXKKLTZUHT-XCBNKYQSSA-N 0 1 260.353 3.598 20 0 CHADMN COC(=O)c1cnc([C@H](C)N[C@H](C)CCC=C(C)C)s1 ZINC000414151473 1119917459 /nfs/dbraw/zinc/91/74/59/1119917459.db2.gz QCQKEYMDUCTTRW-NEPJUHHUSA-N 0 1 296.436 3.715 20 0 CHADMN Cc1ccccc1[C@H]1CN(CCCOC(C)C)[C@H](C)CO1 ZINC000173828594 1119917470 /nfs/dbraw/zinc/91/74/70/1119917470.db2.gz PMJLIYIQRHQMEK-SJLPKXTDSA-N 0 1 291.435 3.572 20 0 CHADMN CO[C@@H](CNCc1c(Cl)cccc1Cl)C(C)C ZINC000381790566 1119919530 /nfs/dbraw/zinc/91/95/30/1119919530.db2.gz NHIDHULAACKHFI-ZDUSSCGKSA-N 0 1 276.207 3.754 20 0 CHADMN CCC[C@H](N[C@H](C)c1nc(C2CC2)no1)C(C)(C)C ZINC000414184217 1119930444 /nfs/dbraw/zinc/93/04/44/1119930444.db2.gz NRQFRUXKXOPCQY-PWSUYJOCSA-N 0 1 265.401 3.812 20 0 CHADMN [O-]c1cc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)ccc1F ZINC001236705347 1128879537 /nfs/dbraw/zinc/87/95/37/1128879537.db2.gz LDNKWHPYIHLDDR-UKRRQHHQSA-N 0 1 263.356 3.686 20 0 CHADMN [O-]c1cc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)ccc1F ZINC001236705347 1128879541 /nfs/dbraw/zinc/87/95/41/1128879541.db2.gz LDNKWHPYIHLDDR-UKRRQHHQSA-N 0 1 263.356 3.686 20 0 CHADMN CCCC[C@H](C)[C@@H](C)NCc1nccc(C(F)(F)F)n1 ZINC000414232357 1119949931 /nfs/dbraw/zinc/94/99/31/1119949931.db2.gz CWCVLAARUPZJRU-WDEREUQCSA-N 0 1 289.345 3.800 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2cc3ccccc3o2)cn1 ZINC000414249947 1119955949 /nfs/dbraw/zinc/95/59/49/1119955949.db2.gz FUZWTABOJZPLGI-LBPRGKRZSA-N 0 1 281.359 3.636 20 0 CHADMN CCc1ncc(CN[C@@H](C)c2ccc(Cl)cc2)cn1 ZINC000414267561 1119960392 /nfs/dbraw/zinc/96/03/92/1119960392.db2.gz MVNBTMGNUXPTQY-NSHDSACASA-N 0 1 275.783 3.543 20 0 CHADMN C[C@@H](CN[C@H](c1ncc[nH]1)c1ccccc1)CC(F)(F)F ZINC000414277837 1119964760 /nfs/dbraw/zinc/96/47/60/1119964760.db2.gz ZSKAXDZLMSQESN-YPMHNXCESA-N 0 1 297.324 3.677 20 0 CHADMN CCc1ncc(CN[C@H](CC)c2cccc(Cl)c2)cn1 ZINC000414289169 1119968618 /nfs/dbraw/zinc/96/86/18/1119968618.db2.gz REZADZLSEBHKIE-OAHLLOKOSA-N 0 1 289.810 3.933 20 0 CHADMN CC[C@@H](c1ccc(Br)cc1)N1CC[C@@H](OC)C1 ZINC000472577781 1119971118 /nfs/dbraw/zinc/97/11/18/1119971118.db2.gz CMQYPCATLGHDGZ-KGLIPLIRSA-N 0 1 298.224 3.621 20 0 CHADMN CCn1ccnc1NCc1ccc(OCC(C)C)cc1 ZINC000414297425 1119971410 /nfs/dbraw/zinc/97/14/10/1119971410.db2.gz HWSPIKQWVJUTCV-UHFFFAOYSA-N 0 1 273.380 3.550 20 0 CHADMN CC[C@@H](N[C@@H](C)c1csnn1)C1CCCCC1 ZINC000414301344 1119971891 /nfs/dbraw/zinc/97/18/91/1119971891.db2.gz LSSKUVFGAQZZJC-CMPLNLGQSA-N 0 1 253.415 3.548 20 0 CHADMN CC[C@H]1C[C@@H](C)CN1Cc1nnc(Cc2ccccc2C)o1 ZINC000472580582 1119974106 /nfs/dbraw/zinc/97/41/06/1119974106.db2.gz RLJDAGRNXIVYIH-CJNGLKHVSA-N 0 1 299.418 3.589 20 0 CHADMN C[C@@H]1CCC[C@H](N(C)Cc2csc(Cl)n2)C1 ZINC000309397388 1119981226 /nfs/dbraw/zinc/98/12/26/1119981226.db2.gz GOIXCGABIMBFFV-KOLCDFICSA-N 0 1 258.818 3.807 20 0 CHADMN C[C@H]1CCC[C@H](N(C)Cc2csc(Cl)n2)C1 ZINC000309397393 1119981267 /nfs/dbraw/zinc/98/12/67/1119981267.db2.gz GOIXCGABIMBFFV-ONGXEEELSA-N 0 1 258.818 3.807 20 0 CHADMN CC(C)C[C@@H](C)C[C@@H](C)NCc1nnc(C2CC2)s1 ZINC000414328860 1119985201 /nfs/dbraw/zinc/98/52/01/1119985201.db2.gz QICLUJGPDZXUHU-VXGBXAGGSA-N 0 1 281.469 3.966 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1cccc(F)c1F ZINC000414335149 1119988288 /nfs/dbraw/zinc/98/82/88/1119988288.db2.gz BSECGDNAIUNCEA-IRUJWGPZSA-N 0 1 263.287 3.765 20 0 CHADMN Cc1ccc(CN[C@H](c2ccc(F)cc2)C2CC2)o1 ZINC000053036690 1119990471 /nfs/dbraw/zinc/99/04/71/1119990471.db2.gz DNAYAOOKEXHJIR-INIZCTEOSA-N 0 1 259.324 3.968 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)C1=CCCCCC1 ZINC000186568213 1119993632 /nfs/dbraw/zinc/99/36/32/1119993632.db2.gz IHDDZKNOWCMCRI-UHFFFAOYSA-N 0 1 265.740 3.875 20 0 CHADMN Cc1cc(CNCc2c(C)c(C)c(C)c(C)c2C)nn1C ZINC000414359947 1119997501 /nfs/dbraw/zinc/99/75/01/1119997501.db2.gz LJZMQZYKKZRWOZ-UHFFFAOYSA-N 0 1 285.435 3.560 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cccc(N3CCCC3)c2)nc1 ZINC000134404851 1120005862 /nfs/dbraw/zinc/00/58/62/1120005862.db2.gz XZKZRRASWGONOR-MRXNPFEDSA-N 0 1 295.430 3.841 20 0 CHADMN Cc1cc(F)ncc1CNCc1ccccc1OC(C)C ZINC000892650306 1120011432 /nfs/dbraw/zinc/01/14/32/1120011432.db2.gz GHIKOBAWMPLDBX-UHFFFAOYSA-N 0 1 288.366 3.606 20 0 CHADMN Cc1[nH]ncc1CNc1ccc(COC(C)(C)C)cc1 ZINC000084052400 1120019153 /nfs/dbraw/zinc/01/91/53/1120019153.db2.gz HWPWGFNVDSXXHD-UHFFFAOYSA-N 0 1 273.380 3.645 20 0 CHADMN C[C@@H](NCCSCc1ccccc1)c1nccs1 ZINC000181189121 1120030361 /nfs/dbraw/zinc/03/03/61/1120030361.db2.gz SOOGSNUOWZHRMB-GFCCVEGCSA-N 0 1 278.446 3.727 20 0 CHADMN C[C@@H](NCc1nc(-c2ccc(Cl)cc2)no1)C(C)(C)C ZINC000114196609 1120030634 /nfs/dbraw/zinc/03/06/34/1120030634.db2.gz AGARTRMEEGCJHY-SNVBAGLBSA-N 0 1 293.798 3.914 20 0 CHADMN CCCCc1noc(CN2C[C@@H](c3ccccc3)C[C@@H]2C)n1 ZINC000115554500 1120044152 /nfs/dbraw/zinc/04/41/52/1120044152.db2.gz VKKXZRLKACQHSE-HOCLYGCPSA-N 0 1 299.418 3.790 20 0 CHADMN FC(F)(F)CO[C@@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC000588177928 1120047703 /nfs/dbraw/zinc/04/77/03/1120047703.db2.gz VLKDKWAWASOFHH-UFRMUOTOSA-N 0 1 299.336 3.743 20 0 CHADMN C/C=C(\CC)C(=O)Nc1ccc(-c2nc(C)c(C)[nH]2)cc1 ZINC000921658858 1120057392 /nfs/dbraw/zinc/05/73/92/1120057392.db2.gz DWYKAACNHIBKDO-WLRTZDKTSA-N 0 1 283.375 3.988 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1c(N)cccc1F ZINC001140872954 1120062831 /nfs/dbraw/zinc/06/28/31/1120062831.db2.gz NASXYSYQNBJAMU-GFCCVEGCSA-N 0 1 270.351 3.527 20 0 CHADMN C(=C\c1ccccc1)\CN1CCOc2ccccc2C1 ZINC000613564978 1120063056 /nfs/dbraw/zinc/06/30/56/1120063056.db2.gz MGUURJNOJNBJHO-TWGQIWQCSA-N 0 1 265.356 3.594 20 0 CHADMN Cc1cccc(C)c1OCCN1CCOc2ccccc2C1 ZINC000613565445 1120063702 /nfs/dbraw/zinc/06/37/02/1120063702.db2.gz SULXJOHUXFRTDZ-UHFFFAOYSA-N 0 1 297.398 3.577 20 0 CHADMN CN(C)Cc1cc(-c2cc(F)ccc2F)ccc1F ZINC001239711509 1120076590 /nfs/dbraw/zinc/07/65/90/1120076590.db2.gz DLROZUYVOLECAW-UHFFFAOYSA-N 0 1 265.278 3.833 20 0 CHADMN Fc1ccc2c(c1)nccc2N(Cc1ccccn1)C1CC1 ZINC000178767467 1120084278 /nfs/dbraw/zinc/08/42/78/1120084278.db2.gz GMFWTYRTJOQZRN-UHFFFAOYSA-N 0 1 293.345 3.938 20 0 CHADMN CC(C)[C@H](N[C@@H](C)c1cnnn1C)c1ccc(Cl)cc1 ZINC000924593662 1120088195 /nfs/dbraw/zinc/08/81/95/1120088195.db2.gz XMHDPOABGLQFQB-NHYWBVRUSA-N 0 1 292.814 3.516 20 0 CHADMN Cc1noc([C@H](C)N2CCC[C@H](Cc3ccc(C)cc3)C2)n1 ZINC000051063678 1120089246 /nfs/dbraw/zinc/08/92/46/1120089246.db2.gz KUOFUMWFLVCQOU-WMLDXEAASA-N 0 1 299.418 3.702 20 0 CHADMN Cc1ccc([C@@H]2C[C@H](C)N(Cn3cc(Cl)cn3)C2)cc1 ZINC000782954327 1120091157 /nfs/dbraw/zinc/09/11/57/1120091157.db2.gz NCOIAGUSUNHSNH-DZGCQCFKSA-N 0 1 289.810 3.680 20 0 CHADMN C[C@@H](NC/C=C/Cl)c1ccccc1Br ZINC000181573685 1128890185 /nfs/dbraw/zinc/89/01/85/1128890185.db2.gz SCGOZEQPRBCQJJ-ILFKPUCNSA-N 0 1 274.589 3.852 20 0 CHADMN Cc1ccc([C@H](NCc2cccnc2)C2CCC2)o1 ZINC000542674691 1120102868 /nfs/dbraw/zinc/10/28/68/1120102868.db2.gz VGZFDKJTTKDXQV-MRXNPFEDSA-N 0 1 256.349 3.614 20 0 CHADMN CCC[C@H](NCc1cnc2c(C)cccn12)c1ccccn1 ZINC001649118101 1120104303 /nfs/dbraw/zinc/10/43/03/1120104303.db2.gz YNPDPEKQIRKJHN-INIZCTEOSA-N 0 1 294.402 3.669 20 0 CHADMN COc1ccc(F)cc1CN[C@H](C)c1cccs1 ZINC000181756389 1120107974 /nfs/dbraw/zinc/10/79/74/1120107974.db2.gz WOQVSUHRIFUKPQ-SNVBAGLBSA-N 0 1 265.353 3.747 20 0 CHADMN Cc1ccc([C@@H](C)NCc2oc(C)nc2C)s1 ZINC000311808131 1120109123 /nfs/dbraw/zinc/10/91/23/1120109123.db2.gz VSOFKCBJABUAQU-SNVBAGLBSA-N 0 1 250.367 3.512 20 0 CHADMN COc1ccc([C@@H](N[C@H](C)c2cc(C)n(C)n2)C2CC2)cc1 ZINC000282299308 1120109771 /nfs/dbraw/zinc/10/97/71/1120109771.db2.gz SNQOBYSXXNBMRT-ACJLOTCBSA-N 0 1 299.418 3.539 20 0 CHADMN Cc1cc([C@H](C)N[C@H](CCO)c2ccccc2)oc1C ZINC000282299254 1120110012 /nfs/dbraw/zinc/11/00/12/1120110012.db2.gz SMVKYDDFHKMHBY-XJKSGUPXSA-N 0 1 273.376 3.671 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000659798319 1120112074 /nfs/dbraw/zinc/11/20/74/1120112074.db2.gz AYBBQGMRRRMLRM-OAHLLOKOSA-N 0 1 299.370 3.558 20 0 CHADMN Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c(C)c1 ZINC000659801388 1120113015 /nfs/dbraw/zinc/11/30/15/1120113015.db2.gz VTNMQKWBFWENQK-OAGGEKHMSA-N 0 1 289.419 3.715 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000659803134 1120113587 /nfs/dbraw/zinc/11/35/87/1120113587.db2.gz DFGDBSNWIQGUGC-HZPDHXFCSA-N 0 1 281.440 3.778 20 0 CHADMN C[N@@H+](CC1CCC(C(C)(C)C)CC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659802077 1120113637 /nfs/dbraw/zinc/11/36/37/1120113637.db2.gz PTEAPZQWZJUDRP-NFEDXEBOSA-N 0 1 281.440 3.634 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccc(C(=O)[O-])cc2F)[C@H]2CCC[C@H]21 ZINC000393458796 1120115641 /nfs/dbraw/zinc/11/56/41/1120115641.db2.gz ITFDXZMYHXAXEG-HIFRSBDPSA-N 0 1 291.366 3.534 20 0 CHADMN CCCN(Cc1ccccc1)Cc1cc(C)nc(C)n1 ZINC000659813710 1120115986 /nfs/dbraw/zinc/11/59/86/1120115986.db2.gz WCZFAXRTBBMRJD-UHFFFAOYSA-N 0 1 269.392 3.506 20 0 CHADMN CC1(C)C[C@@H](Oc2cc(Cl)c([O-])cc2Cl)CC[NH2+]1 ZINC001218473371 1120121194 /nfs/dbraw/zinc/12/11/94/1120121194.db2.gz XOTAUOQXWZQMHD-QMMMGPOBSA-N 0 1 290.190 3.608 20 0 CHADMN COc1cccc([C@H](C)NCc2cccc(F)c2F)c1 ZINC000111038723 1120131065 /nfs/dbraw/zinc/13/10/65/1120131065.db2.gz OGOAMEPMCUJOBT-NSHDSACASA-N 0 1 277.314 3.824 20 0 CHADMN CN(C/C=C\c1ccc(F)c(F)c1)Cc1ccco1 ZINC000685408266 1120131347 /nfs/dbraw/zinc/13/13/47/1120131347.db2.gz CLGJDJYTXGRGTK-RQOWECAXSA-N 0 1 263.287 3.703 20 0 CHADMN CC[C@H](CN[C@H](C)c1ncc[nH]1)Oc1ccccc1Cl ZINC000353519328 1120133908 /nfs/dbraw/zinc/13/39/08/1120133908.db2.gz MVKWYFWCAXMWSQ-VXGBXAGGSA-N 0 1 293.798 3.571 20 0 CHADMN FC(F)(F)c1nc(CNC[C@H]2CC=CCC2)cs1 ZINC000892745278 1120135171 /nfs/dbraw/zinc/13/51/71/1120135171.db2.gz MCKAXUHHCSVBLT-VIFPVBQESA-N 0 1 276.327 3.608 20 0 CHADMN CCc1ccccc1C[N@@H+](C)Cc1cnc(C)s1 ZINC000188847651 1120135899 /nfs/dbraw/zinc/13/58/99/1120135899.db2.gz PJNCTMCYWLSUMS-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN CCc1ccccc1CN(C)Cc1cnc(C)s1 ZINC000188847651 1120135903 /nfs/dbraw/zinc/13/59/03/1120135903.db2.gz PJNCTMCYWLSUMS-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN CCN(Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000301492785 1120138670 /nfs/dbraw/zinc/13/86/70/1120138670.db2.gz QSIHQPRWHPQVQV-MRXNPFEDSA-N 0 1 296.414 3.844 20 0 CHADMN CC(C)=CCCN(C)CC(=O)Nc1cccc(C)c1C ZINC000659834232 1120139381 /nfs/dbraw/zinc/13/93/81/1120139381.db2.gz QXBJDXRHVMMDGI-UHFFFAOYSA-N 0 1 274.408 3.530 20 0 CHADMN Brc1sccc1CNCC1=CCCC1 ZINC000401070974 1120142546 /nfs/dbraw/zinc/14/25/46/1120142546.db2.gz YQVICQJZDSDJQF-UHFFFAOYSA-N 0 1 272.211 3.711 20 0 CHADMN CN(CCOc1ccccc1Cl)Cc1ccccc1F ZINC000301605323 1120142531 /nfs/dbraw/zinc/14/25/31/1120142531.db2.gz LSYWKUIJWVTMBE-UHFFFAOYSA-N 0 1 293.769 3.990 20 0 CHADMN Cc1cc(F)ncc1CNC1(c2ccc(F)cc2)CCC1 ZINC000892786901 1120142715 /nfs/dbraw/zinc/14/27/15/1120142715.db2.gz XHUCPEFZGBUKAW-UHFFFAOYSA-N 0 1 288.341 3.837 20 0 CHADMN C[C@@H](NC/C=C/c1ccccc1)c1ccc(F)cn1 ZINC000542776228 1120144303 /nfs/dbraw/zinc/14/43/03/1120144303.db2.gz CJOVWNNAHHSTJN-OQHXTRMZSA-N 0 1 256.324 3.585 20 0 CHADMN Cc1ccc(CCN[C@H](c2ccccc2)c2ccccn2)o1 ZINC000542774676 1120145129 /nfs/dbraw/zinc/14/51/29/1120145129.db2.gz JLLVRNJERIXHGL-LJQANCHMSA-N 0 1 292.382 3.905 20 0 CHADMN COCCCC[C@@H](N[C@H](C)c1ncc[nH]1)c1ccccc1 ZINC000353600571 1120145141 /nfs/dbraw/zinc/14/51/41/1120145141.db2.gz YNJJCUUKWJXMHL-GDBMZVCRSA-N 0 1 287.407 3.618 20 0 CHADMN COc1ccc(F)cc1CNCc1coc2ccccc12 ZINC000189204386 1120145727 /nfs/dbraw/zinc/14/57/27/1120145727.db2.gz CYMGZGIFNSCOBR-UHFFFAOYSA-N 0 1 285.318 3.870 20 0 CHADMN Cc1nc(C)c([C@@H](C)NCc2ccc(C)c(C)n2)s1 ZINC000313874988 1120155121 /nfs/dbraw/zinc/15/51/21/1120155121.db2.gz BBVYTCNUYXGQNK-LLVKDONJSA-N 0 1 275.421 3.623 20 0 CHADMN Cc1ccc(CN[C@H](C)c2ccccc2C)nc1C ZINC000313899316 1120157369 /nfs/dbraw/zinc/15/73/69/1120157369.db2.gz GKAKYHKWJWPPEO-OAHLLOKOSA-N 0 1 254.377 3.858 20 0 CHADMN C[C@@H](NC[C@@H]1CCCS1)c1nc(C(F)(F)F)cs1 ZINC000343842840 1120160044 /nfs/dbraw/zinc/16/00/44/1120160044.db2.gz RWTDSXNATVIXDP-SFYZADRCSA-N 0 1 296.383 3.708 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cccc(O)c2)c2c(n1)CCCC2 ZINC000892941958 1120169561 /nfs/dbraw/zinc/16/95/61/1120169561.db2.gz OLRUSBNNMYNHDD-AWEZNQCLSA-N 0 1 296.414 3.825 20 0 CHADMN Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1cccc(F)c1 ZINC000091437166 1120171420 /nfs/dbraw/zinc/17/14/20/1120171420.db2.gz KPTLYUBDMXILRW-VHSXEESVSA-N 0 1 262.328 3.842 20 0 CHADMN CC(C)(C)c1coc(CNC[C@H]2CCc3ccccc32)n1 ZINC000921724818 1120174103 /nfs/dbraw/zinc/17/41/03/1120174103.db2.gz WCJJCLFLXXKGIW-CQSZACIVSA-N 0 1 284.403 3.792 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cccc(C)c2C)o1 ZINC000892949057 1120176478 /nfs/dbraw/zinc/17/64/78/1120176478.db2.gz JPJMRQLIMDEBHP-ZDUSSCGKSA-N 0 1 259.349 3.756 20 0 CHADMN Cc1c2ccccc2oc1CNCc1cn(C)nc1C1CC1 ZINC000892957833 1120180688 /nfs/dbraw/zinc/18/06/88/1120180688.db2.gz UZDMRCJOEDZDJX-UHFFFAOYSA-N 0 1 295.386 3.642 20 0 CHADMN Cc1ccc(-c2cc3[nH]nnc3cc2F)c(Cl)c1 ZINC001239862432 1120182828 /nfs/dbraw/zinc/18/28/28/1120182828.db2.gz AIUDAUDCJCLDPF-UHFFFAOYSA-N 0 1 261.687 3.726 20 0 CHADMN COc1cccc([C@H](C)NCc2ccc(C)c(C)n2)c1 ZINC000314341679 1120187069 /nfs/dbraw/zinc/18/70/69/1120187069.db2.gz VBKAXZPMVYAWBA-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN c1nn(CC2CCC2)cc1CNCc1coc2ccccc12 ZINC000921741150 1120187662 /nfs/dbraw/zinc/18/76/62/1120187662.db2.gz SMAKHVLJXBSTTN-UHFFFAOYSA-N 0 1 295.386 3.719 20 0 CHADMN Cc1ccnc(N[C@@H]2CCCc3cccnc32)c1C ZINC001168656847 1120190861 /nfs/dbraw/zinc/19/08/61/1120190861.db2.gz UYVWLSDHCAPMOG-CQSZACIVSA-N 0 1 253.349 3.583 20 0 CHADMN CCc1nc(CN(C)C[C@@H](CC)CC(F)F)cs1 ZINC000659857151 1120198361 /nfs/dbraw/zinc/19/83/61/1120198361.db2.gz HILRREUYKUFRFL-JTQLQIEISA-N 0 1 276.396 3.819 20 0 CHADMN COC[C@@H](NCc1ccc(Cl)cc1)c1ccccc1 ZINC000113355644 1120207574 /nfs/dbraw/zinc/20/75/74/1120207574.db2.gz GJKRWDNPBOHKHU-MRXNPFEDSA-N 0 1 275.779 3.817 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1ccc(F)c(C)c1 ZINC000073007581 1120207739 /nfs/dbraw/zinc/20/77/39/1120207739.db2.gz TVRIJJUBQPGKCR-SNVBAGLBSA-N 0 1 262.328 3.590 20 0 CHADMN Cc1cccc([C@H](C)CNCc2nnc(C3CC3)s2)c1 ZINC000893042893 1120208013 /nfs/dbraw/zinc/20/80/13/1120208013.db2.gz VSRBTIULPNKIGC-GFCCVEGCSA-N 0 1 287.432 3.617 20 0 CHADMN Cc1cc(CNCc2cnn(CC3CCC3)c2)c(C)s1 ZINC000921775635 1120208582 /nfs/dbraw/zinc/20/85/82/1120208582.db2.gz HZQCRXMEPDNSOL-UHFFFAOYSA-N 0 1 289.448 3.651 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000338724824 1120212627 /nfs/dbraw/zinc/21/26/27/1120212627.db2.gz LBDRBMWPEJOKFI-CZUORRHYSA-N 0 1 289.810 3.935 20 0 CHADMN C[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](n2cccn2)C1 ZINC000338724824 1120212628 /nfs/dbraw/zinc/21/26/28/1120212628.db2.gz LBDRBMWPEJOKFI-CZUORRHYSA-N 0 1 289.810 3.935 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)N1CCC[C@@H](n2cccn2)C1 ZINC000338724754 1120213033 /nfs/dbraw/zinc/21/30/33/1120213033.db2.gz JYJRBHOSXKMBHH-XJKSGUPXSA-N 0 1 289.810 3.935 20 0 CHADMN Cc1cnc(Cl)c(CN[C@@H]2CCCc3[nH]ccc32)c1 ZINC000921814475 1120225490 /nfs/dbraw/zinc/22/54/90/1120225490.db2.gz BHIKGNDWXDPEFR-CQSZACIVSA-N 0 1 275.783 3.539 20 0 CHADMN Cc1cc([C@H](C)NCc2ccnn2C2CCC2)ccc1F ZINC000921820399 1120228159 /nfs/dbraw/zinc/22/81/59/1120228159.db2.gz HRVYYJBIFGMPFY-ZDUSSCGKSA-N 0 1 287.382 3.906 20 0 CHADMN COC(=O)c1coc(CN2CCC[C@@H]2c2ccc(C)cc2)c1 ZINC000338735820 1120230988 /nfs/dbraw/zinc/23/09/88/1120230988.db2.gz IAIGQDZLNLSNCC-QGZVFWFLSA-N 0 1 299.370 3.712 20 0 CHADMN CO[C@H](C)c1cccc(N[C@H]2CCCc3[nH]ncc32)c1 ZINC000353648570 1128900651 /nfs/dbraw/zinc/90/06/51/1128900651.db2.gz PKKCGJCDJDTSLT-ABAIWWIYSA-N 0 1 271.364 3.607 20 0 CHADMN COc1ncccc1CN[C@H]1CCC(C)(C)c2ccccc21 ZINC000314544304 1120233443 /nfs/dbraw/zinc/23/34/43/1120233443.db2.gz JLJHGMRDAFOYSP-KRWDZBQOSA-N 0 1 296.414 3.993 20 0 CHADMN CCOc1cc(C)ccc1CNCc1cnn(C2CCC2)c1 ZINC000921835523 1120233771 /nfs/dbraw/zinc/23/37/71/1120233771.db2.gz XCMAAKJFBDYDOX-UHFFFAOYSA-N 0 1 299.418 3.605 20 0 CHADMN CC(C)[C@H](N)c1noc(CCCc2ccc(Cl)cc2)n1 ZINC000843147738 1120234527 /nfs/dbraw/zinc/23/45/27/1120234527.db2.gz DTNICXNQHNONEF-AWEZNQCLSA-N 0 1 293.798 3.554 20 0 CHADMN COc1ccc(CN[C@H]2CC(C)(C)c3ccccc32)nc1 ZINC000893145518 1120237519 /nfs/dbraw/zinc/23/75/19/1120237519.db2.gz YYPVMINJOUNEJF-KRWDZBQOSA-N 0 1 282.387 3.602 20 0 CHADMN CCC[C@H](NCc1ccc(F)nc1C)c1ccccn1 ZINC000785456800 1120241288 /nfs/dbraw/zinc/24/12/88/1120241288.db2.gz XEAQNHJACUEPLW-AWEZNQCLSA-N 0 1 273.355 3.555 20 0 CHADMN C[C@H]1C[C@@H](NCCF)c2cccc(Br)c21 ZINC000309154883 1120241543 /nfs/dbraw/zinc/24/15/43/1120241543.db2.gz XEJWINIURIGTLN-GZMMTYOYSA-N 0 1 272.161 3.557 20 0 CHADMN CC(C)[C@H](N)c1noc([C@H](C)SCc2ccccc2)n1 ZINC000843148824 1120248610 /nfs/dbraw/zinc/24/86/10/1120248610.db2.gz XONRIJYJVRBTCB-AAEUAGOBSA-N 0 1 291.420 3.720 20 0 CHADMN CC(C)[C@H](N)c1noc(CCC(C)(C)c2ccccc2)n1 ZINC000843148459 1120250256 /nfs/dbraw/zinc/25/02/56/1120250256.db2.gz ASWKAEJZDOWITE-HNNXBMFYSA-N 0 1 287.407 3.636 20 0 CHADMN Cc1cccc(C(C)(C)NCc2cn3cc(C)ccc3n2)c1 ZINC000179596693 1120250353 /nfs/dbraw/zinc/25/03/53/1120250353.db2.gz HEABAPFINGBYMP-UHFFFAOYSA-N 0 1 293.414 3.976 20 0 CHADMN CCCCCC(C)(C)c1nc([C@@H](N)C(C)C)no1 ZINC000843150080 1120250856 /nfs/dbraw/zinc/25/08/56/1120250856.db2.gz SFPWPNQOCPAYSU-NSHDSACASA-N 0 1 253.390 3.583 20 0 CHADMN CCn1cc([C@@H](C)N[C@H](C)c2cc(F)c(F)c(F)c2)cn1 ZINC000271460583 1120254160 /nfs/dbraw/zinc/25/41/60/1120254160.db2.gz JXXZIBREJQDWHY-NXEZZACHSA-N 0 1 297.324 3.732 20 0 CHADMN COc1ccc([C@@H](C)C[N@@H+](C)Cc2c(C)noc2C)cc1 ZINC000179754842 1120254173 /nfs/dbraw/zinc/25/41/73/1120254173.db2.gz QVCUNGSSUUMWIV-LBPRGKRZSA-N 0 1 288.391 3.536 20 0 CHADMN C[C@@H](NCc1ccc(OC(C)(C)C)cc1)c1ccncn1 ZINC000651291876 1120255452 /nfs/dbraw/zinc/25/54/52/1120255452.db2.gz ABGRKQTXVJOTNH-CYBMUJFWSA-N 0 1 285.391 3.505 20 0 CHADMN CC[C@@H](C)C[C@@H](C)Nc1ccc2cc(C(=O)OC)[nH]c2n1 ZINC001168690911 1120260803 /nfs/dbraw/zinc/26/08/03/1120260803.db2.gz AUQRGWJTXOLPRT-GHMZBOCLSA-N 0 1 289.379 3.586 20 0 CHADMN C1=CCC(Nc2cc(C3CC3)nc(NC3CC=CC3)n2)C1 ZINC000672236305 1120261470 /nfs/dbraw/zinc/26/14/70/1120261470.db2.gz FLWLCSMUELWJFV-UHFFFAOYSA-N 0 1 282.391 3.615 20 0 CHADMN CCC[C@H](Nc1cnn(-c2ccncc2)c1)C1CCC1 ZINC000651303864 1120262650 /nfs/dbraw/zinc/26/26/50/1120262650.db2.gz TWHSCIMGFOBUJW-INIZCTEOSA-N 0 1 270.380 3.648 20 0 CHADMN Cc1ncoc1CN(Cc1ccccn1)C1CCCCC1 ZINC001141053621 1120276339 /nfs/dbraw/zinc/27/63/39/1120276339.db2.gz JORAEKQBMGHUSC-UHFFFAOYSA-N 0 1 285.391 3.713 20 0 CHADMN CC(C)(C)CN(CCCO)Cc1nsc2ccccc21 ZINC000659905008 1120276657 /nfs/dbraw/zinc/27/66/57/1120276657.db2.gz JQKXLGFCPAFEGF-UHFFFAOYSA-N 0 1 292.448 3.527 20 0 CHADMN COc1cccc(CN2CCC(OC(C)C)CC2)c1Cl ZINC000659908657 1120277208 /nfs/dbraw/zinc/27/72/08/1120277208.db2.gz FXUXCKVJMLUFFF-UHFFFAOYSA-N 0 1 297.826 3.738 20 0 CHADMN CC(C)CCN1Cc2cccc(NC(=O)[C@H]3C[C@@H]3C)c2C1 ZINC000076171341 1120278223 /nfs/dbraw/zinc/27/82/23/1120278223.db2.gz HNNVVCPYKAGELX-ZFWWWQNUSA-N 0 1 286.419 3.643 20 0 CHADMN Fc1ccccc1[C@H]1CCN(Cc2cc(C3CC3)no2)C1 ZINC000659907888 1120278303 /nfs/dbraw/zinc/27/83/03/1120278303.db2.gz ALVMKHAMXSFYGF-ZDUSSCGKSA-N 0 1 286.350 3.681 20 0 CHADMN Cc1ccccc1[C@H](C)NCc1nn(C)c2ccccc12 ZINC000112338032 1120282892 /nfs/dbraw/zinc/28/28/92/1120282892.db2.gz JQQDTZNWGFNEKQ-AWEZNQCLSA-N 0 1 279.387 3.733 20 0 CHADMN COC1(c2noc(-c3ccc(O)c(Cl)c3)n2)CCCC1 ZINC000228233083 1120286194 /nfs/dbraw/zinc/28/61/94/1120286194.db2.gz BBBSYFDCJPHMFL-UHFFFAOYSA-N 0 1 294.738 3.511 20 0 CHADMN C[C@@H](c1cccs1)N(C)Cc1ccc2c(n1)CCC2 ZINC000656413221 1120289766 /nfs/dbraw/zinc/28/97/66/1120289766.db2.gz IWEPVYSPCHKOAJ-LBPRGKRZSA-N 0 1 272.417 3.825 20 0 CHADMN COc1cc(CN(C)[C@@H](c2ccccc2)C(C)C)sn1 ZINC000659927091 1120290021 /nfs/dbraw/zinc/29/00/21/1120290021.db2.gz OYKRFMROYBHCDU-MRXNPFEDSA-N 0 1 290.432 3.981 20 0 CHADMN CCC(CC)[C@H](CCNCc1nnc(C(C)C)s1)OC ZINC000893190488 1120291831 /nfs/dbraw/zinc/29/18/31/1120291831.db2.gz CMSYSLMESYFTIW-ZDUSSCGKSA-N 0 1 299.484 3.592 20 0 CHADMN CCN(C)[C@@H](C(=O)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000107353522 1120291946 /nfs/dbraw/zinc/29/19/46/1120291946.db2.gz MYKLMGQJDKGEDD-CRAIPNDOSA-N 0 1 296.414 3.557 20 0 CHADMN CC(C)(C)c1coc(CN[C@H]2CCO[C@@H](C(C)(C)C)C2)n1 ZINC000921944988 1120297787 /nfs/dbraw/zinc/29/77/87/1120297787.db2.gz LUNFHHZWBSGAFD-GXTWGEPZSA-N 0 1 294.439 3.655 20 0 CHADMN Cc1cccc(NC(=O)c2cc(-c3cccs3)n[nH]2)c1 ZINC000107707381 1120297987 /nfs/dbraw/zinc/29/79/87/1120297987.db2.gz JOOVYUYVOYJJAM-UHFFFAOYSA-N 0 1 283.356 3.699 20 0 CHADMN O=C([O-])CCCC[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000181547871 1120298474 /nfs/dbraw/zinc/29/84/74/1120298474.db2.gz LZVCXIAIGIFFEO-INIZCTEOSA-N 0 1 275.392 3.859 20 0 CHADMN Cc1nc(C)c(C[N@H+](C)[C@@H](C)c2cccc(O)c2)s1 ZINC000172799732 1120301299 /nfs/dbraw/zinc/30/12/99/1120301299.db2.gz PWCCHXDIDVZRJX-NSHDSACASA-N 0 1 276.405 3.659 20 0 CHADMN Cc1nc(C)c(CN(C)[C@@H](C)c2cccc(O)c2)s1 ZINC000172799732 1120301304 /nfs/dbraw/zinc/30/13/04/1120301304.db2.gz PWCCHXDIDVZRJX-NSHDSACASA-N 0 1 276.405 3.659 20 0 CHADMN Cc1ccc(-c2nnc(CN(C3CC3)C3CCCC3)o2)cc1 ZINC000064808216 1120303015 /nfs/dbraw/zinc/30/30/15/1120303015.db2.gz JZICOTRBHBHVOS-UHFFFAOYSA-N 0 1 297.402 3.952 20 0 CHADMN CC(C)OCCCN(C)Cc1nsc2ccccc12 ZINC000659948116 1120305145 /nfs/dbraw/zinc/30/51/45/1120305145.db2.gz SLKUOCNGFXWZTK-UHFFFAOYSA-N 0 1 278.421 3.543 20 0 CHADMN C[C@H]1CCC[C@@H](OCC(=O)Nc2cccc(Cl)c2O)C1 ZINC000077012958 1120305764 /nfs/dbraw/zinc/30/57/64/1120305764.db2.gz JWCABSMMRFHXEJ-WDEREUQCSA-N 0 1 297.782 3.579 20 0 CHADMN Cc1cccc(CC(=O)Nc2cccc(Cl)c2O)c1 ZINC000077011207 1120306264 /nfs/dbraw/zinc/30/62/64/1120306264.db2.gz FHLRFIYAOHKFTP-UHFFFAOYSA-N 0 1 275.735 3.535 20 0 CHADMN CN[C@@H](CC(C)(C)C)c1nc(-c2cccc3[nH]ccc32)no1 ZINC000843180045 1120309365 /nfs/dbraw/zinc/30/93/65/1120309365.db2.gz HDRPLJSYKPEUQK-AWEZNQCLSA-N 0 1 298.390 3.915 20 0 CHADMN C[C@@H]1[C@H](C)CN(C(=O)c2cc(C3CCCCC3)[nH]n2)[C@H]1C ZINC000416315806 1120311734 /nfs/dbraw/zinc/31/17/34/1120311734.db2.gz FPNLPCBJVYTZJB-UPJWGTAASA-N 0 1 289.423 3.574 20 0 CHADMN CC(C)C[C@H]1C[C@@H](NCc2nc(C(C)(C)C)co2)CCO1 ZINC000921972998 1120313021 /nfs/dbraw/zinc/31/30/21/1120313021.db2.gz DXPHAAFGLOEPTI-KBPBESRZSA-N 0 1 294.439 3.655 20 0 CHADMN Cc1nnc(CN(CC(C)(C)C)CC(C)(C)C)n1C1CC1 ZINC000182079243 1120313451 /nfs/dbraw/zinc/31/34/51/1120313451.db2.gz LPHGZWUDGZOWJB-UHFFFAOYSA-N 0 1 292.471 3.816 20 0 CHADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cccc2ccccc21 ZINC000389378597 1120315430 /nfs/dbraw/zinc/31/54/30/1120315430.db2.gz CJLVUQFAPQOIRC-JQHSSLGASA-N 0 1 295.382 3.525 20 0 CHADMN CC(C)(C)OC(=O)CCCNC1(c2ccccc2F)CC1 ZINC000182428755 1120320056 /nfs/dbraw/zinc/32/00/56/1120320056.db2.gz VGCUGZVVHZUMQA-UHFFFAOYSA-N 0 1 293.382 3.526 20 0 CHADMN Fc1cccc([C@H]2CCC[N@H+]2CCC(F)(F)F)c1 ZINC000077268161 1120322583 /nfs/dbraw/zinc/32/25/83/1120322583.db2.gz MSYJRXWPRHUZCU-GFCCVEGCSA-N 0 1 261.262 3.915 20 0 CHADMN Fc1cccc([C@H]2CCCN2CCC(F)(F)F)c1 ZINC000077268161 1120322585 /nfs/dbraw/zinc/32/25/85/1120322585.db2.gz MSYJRXWPRHUZCU-GFCCVEGCSA-N 0 1 261.262 3.915 20 0 CHADMN CCc1nocc1CNCc1ccc(C(F)(F)F)cc1 ZINC000339173007 1120323132 /nfs/dbraw/zinc/32/31/32/1120323132.db2.gz XQNPUPXVSJNTDZ-UHFFFAOYSA-N 0 1 284.281 3.546 20 0 CHADMN COc1ccc2c(c1)CN(Cc1ccc(SC)cc1)CC2 ZINC000065163252 1120323878 /nfs/dbraw/zinc/32/38/78/1120323878.db2.gz UONVQRLPPALKEA-UHFFFAOYSA-N 0 1 299.439 3.975 20 0 CHADMN CC(C)O[C@@H]1C[C@@H](NCc2coc(C(C)(C)C)n2)C1(C)C ZINC000930627109 1120326250 /nfs/dbraw/zinc/32/62/50/1120326250.db2.gz CKGQHJILZDEZFZ-ZIAGYGMSSA-N 0 1 294.439 3.654 20 0 CHADMN CCc1[nH]nc(Cl)c1CN[C@@H]1CCCc2sccc21 ZINC000922003359 1120328273 /nfs/dbraw/zinc/32/82/73/1120328273.db2.gz FPDJKKSTYNOIHL-GFCCVEGCSA-N 0 1 295.839 3.854 20 0 CHADMN C[C@@H](N(C)Cc1nsc2ccccc21)C1(C)CC1 ZINC000659994133 1120331768 /nfs/dbraw/zinc/33/17/68/1120331768.db2.gz PYBOKMCOLHTJAO-LLVKDONJSA-N 0 1 260.406 3.917 20 0 CHADMN CC(C)(NCc1cccc2[nH]ccc21)c1nccs1 ZINC000116380582 1120332995 /nfs/dbraw/zinc/33/29/95/1120332995.db2.gz HVJMFDBHICOQRP-UHFFFAOYSA-N 0 1 271.389 3.649 20 0 CHADMN CC[C@H](CC(F)F)CN1CCO[C@](C)(c2ccccc2)C1 ZINC000660001680 1120335290 /nfs/dbraw/zinc/33/52/90/1120335290.db2.gz CFLQIEFVYADPEW-PBHICJAKSA-N 0 1 297.389 3.915 20 0 CHADMN CCCC[C@H](CC)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000629374585 1128909023 /nfs/dbraw/zinc/90/90/23/1128909023.db2.gz XNDXKDKPHWCLLB-XUWVNRHRSA-N 0 1 281.440 3.778 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC/C=C\c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000629376584 1128909068 /nfs/dbraw/zinc/90/90/68/1128909068.db2.gz IYISERJESUDJDB-MUGCPBCDSA-N 0 1 299.414 3.665 20 0 CHADMN COc1cc(CN2CCC[C@H]2c2cc(C)ccc2C)on1 ZINC000660005506 1120337204 /nfs/dbraw/zinc/33/72/04/1120337204.db2.gz KBMANDINJGJOKA-INIZCTEOSA-N 0 1 286.375 3.637 20 0 CHADMN CCc1nocc1CN[C@H]1CCSc2ccccc21 ZINC000339176194 1120337886 /nfs/dbraw/zinc/33/78/86/1120337886.db2.gz XTLZMRVDJQNZDJ-AWEZNQCLSA-N 0 1 274.389 3.564 20 0 CHADMN CCCN[C@H](C)c1nc(CSCc2ccccc2)no1 ZINC000843192076 1120340227 /nfs/dbraw/zinc/34/02/27/1120340227.db2.gz WKTKWSLHLFGDIJ-GFCCVEGCSA-N 0 1 291.420 3.564 20 0 CHADMN C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)C1 ZINC000629375787 1128909416 /nfs/dbraw/zinc/90/94/16/1128909416.db2.gz BAFIWVGQGKAZHS-MTSZKFMLSA-N 0 1 293.451 3.778 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC/C=C/c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000629376580 1128909443 /nfs/dbraw/zinc/90/94/43/1128909443.db2.gz IYISERJESUDJDB-IJJSMBQGSA-N 0 1 299.414 3.665 20 0 CHADMN CCCn1cc(CN[C@H](C)c2cc(C)sc2C)cn1 ZINC000116912875 1120349775 /nfs/dbraw/zinc/34/97/75/1120349775.db2.gz SZNASWLNGUCRGU-GFCCVEGCSA-N 0 1 277.437 3.822 20 0 CHADMN Cc1cc(CN[C@H](c2ccc(F)cc2)C2CCC2)nc(C)n1 ZINC000660065602 1120358098 /nfs/dbraw/zinc/35/80/98/1120358098.db2.gz GMWPDVLVDNAHRH-SFHVURJKSA-N 0 1 299.393 3.864 20 0 CHADMN C[C@H](NCc1cccc2c1OCC2)c1ccnc(Cl)c1 ZINC000922087113 1120362807 /nfs/dbraw/zinc/36/28/07/1120362807.db2.gz RAEUYUXVHRNFPC-NSHDSACASA-N 0 1 288.778 3.521 20 0 CHADMN CC(C)C1CCC(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)CC1 ZINC000312526329 1120366996 /nfs/dbraw/zinc/36/69/96/1120366996.db2.gz CPKYLIRPFYDZER-HWOWSKLDSA-N 0 1 281.440 3.636 20 0 CHADMN CC(C)(C)c1coc(CNCCc2cccc3[nH]ccc32)n1 ZINC000922103397 1120367853 /nfs/dbraw/zinc/36/78/53/1120367853.db2.gz GBEDCPLYXQSSQR-UHFFFAOYSA-N 0 1 297.402 3.786 20 0 CHADMN CC[C@@H](NC[C@@H](O)c1cccc(Cl)c1)c1nccs1 ZINC000185118338 1120371180 /nfs/dbraw/zinc/37/11/80/1120371180.db2.gz BZWXRMWCKFNZPQ-CHWSQXEVSA-N 0 1 296.823 3.571 20 0 CHADMN CC1(C)CCC(C)(C)[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000629494377 1128912511 /nfs/dbraw/zinc/91/25/11/1128912511.db2.gz JEEQPXVIAHUYDX-UHFFFAOYSA-N 0 1 275.392 3.785 20 0 CHADMN CCC(CC)c1cc(CN[C@@H]2C[C@@H](OC)C23CCC3)on1 ZINC000453114671 1120386302 /nfs/dbraw/zinc/38/63/02/1120386302.db2.gz HBLWXSQSQLAKGW-HZPDHXFCSA-N 0 1 292.423 3.625 20 0 CHADMN CN(CCc1ccccn1)Cc1ccc(F)c(Cl)c1F ZINC001143615502 1120392650 /nfs/dbraw/zinc/39/26/50/1120392650.db2.gz DJZRBQVMAAHAOH-UHFFFAOYSA-N 0 1 296.748 3.688 20 0 CHADMN CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000584590321 1120395149 /nfs/dbraw/zinc/39/51/49/1120395149.db2.gz WWHMDPNOAWPTHQ-GRDNDAEWSA-N 0 1 289.419 3.914 20 0 CHADMN c1ccc(C[C@@H]2C[N@H+]([C@@H]3CCc4ccccc43)CCO2)cc1 ZINC000682074582 1120407305 /nfs/dbraw/zinc/40/73/05/1120407305.db2.gz DAEKGEZLOCCDDI-UYAOXDASSA-N 0 1 293.410 3.617 20 0 CHADMN c1ccc(C[C@@H]2CN([C@@H]3CCc4ccccc43)CCO2)cc1 ZINC000682074582 1120407308 /nfs/dbraw/zinc/40/73/08/1120407308.db2.gz DAEKGEZLOCCDDI-UYAOXDASSA-N 0 1 293.410 3.617 20 0 CHADMN CC[C@H](NCc1cc(C2CC2)no1)c1ccc(OC)cc1 ZINC000660174681 1120415053 /nfs/dbraw/zinc/41/50/53/1120415053.db2.gz PLBBGSHBNRCUBY-INIZCTEOSA-N 0 1 286.375 3.802 20 0 CHADMN CCC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000584726404 1120422732 /nfs/dbraw/zinc/42/27/32/1120422732.db2.gz XPZGKTLZAVONKH-WFASDCNBSA-N 0 1 295.810 3.978 20 0 CHADMN COc1cccc(F)c1[C@@H](C)NC[C@@H](CC(C)C)OC ZINC000417326770 1120427935 /nfs/dbraw/zinc/42/79/35/1120427935.db2.gz BBMFQJIDYZAZLQ-CHWSQXEVSA-N 0 1 283.387 3.546 20 0 CHADMN Cc1ccncc1[C@@H](C)NCc1cc(O)cc(Cl)c1 ZINC000893301985 1120429091 /nfs/dbraw/zinc/42/90/91/1120429091.db2.gz FTMOOWFIUMRFKG-LLVKDONJSA-N 0 1 276.767 3.600 20 0 CHADMN Cc1ccnc(CN2CCC[C@@H]2c2ccsc2)c1 ZINC000683002258 1120434923 /nfs/dbraw/zinc/43/49/23/1120434923.db2.gz GJUWWQNJPVGCBZ-OAHLLOKOSA-N 0 1 258.390 3.789 20 0 CHADMN c1ccc2c(c1)COC[C@H]2N[C@@H]1CCCOc2ccccc21 ZINC000417358008 1120435795 /nfs/dbraw/zinc/43/57/95/1120435795.db2.gz HAEBBZLQMONPHA-QZTJIDSGSA-N 0 1 295.382 3.761 20 0 CHADMN Cc1cccc(C(C)(C)NCc2cc(C3CC3)no2)c1 ZINC000660197345 1120436494 /nfs/dbraw/zinc/43/64/94/1120436494.db2.gz PIRCPKYADPYURG-UHFFFAOYSA-N 0 1 270.376 3.885 20 0 CHADMN Fc1cncc([C@@H](N[C@H]2COCc3ccccc32)C2CC2)c1 ZINC000417364544 1120437821 /nfs/dbraw/zinc/43/78/21/1120437821.db2.gz MXTFXGLXNYEPII-ROUUACIJSA-N 0 1 298.361 3.533 20 0 CHADMN CCc1oc(C(=O)[O-])cc1C[N@@H+]1CCCCC[C@H]1CC ZINC000584785996 1120446176 /nfs/dbraw/zinc/44/61/76/1120446176.db2.gz WTMILCVIZSXYCE-CYBMUJFWSA-N 0 1 279.380 3.695 20 0 CHADMN CCc1ncc(C[N@@H+](C)[C@H](C)c2ccc(C)cc2)o1 ZINC000929276554 1120450386 /nfs/dbraw/zinc/45/03/86/1120450386.db2.gz PUVJKWGHPLFSQN-CYBMUJFWSA-N 0 1 258.365 3.738 20 0 CHADMN CCc1ncc(CN(C)[C@H](C)c2ccc(C)cc2)o1 ZINC000929276554 1120450389 /nfs/dbraw/zinc/45/03/89/1120450389.db2.gz PUVJKWGHPLFSQN-CYBMUJFWSA-N 0 1 258.365 3.738 20 0 CHADMN CC[C@H](CSc1ccccc1)N[C@@H](C)c1nonc1C ZINC000925608886 1120453916 /nfs/dbraw/zinc/45/39/16/1120453916.db2.gz LJGGFPSPUVCWOH-WCQYABFASA-N 0 1 291.420 3.600 20 0 CHADMN CC[C@H](N[C@H](c1nnc[nH]1)c1ccccc1)c1ccccc1 ZINC000364138228 1120454562 /nfs/dbraw/zinc/45/45/62/1120454562.db2.gz KPLCZPLNNBIPFH-IRXDYDNUSA-N 0 1 292.386 3.635 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2/C=C\c2ccccc2)nc(C)n1 ZINC000660235887 1120457325 /nfs/dbraw/zinc/45/73/25/1120457325.db2.gz SHYFCHMLSWSYRZ-OEIFXAAASA-N 0 1 293.414 3.771 20 0 CHADMN CSc1cc(CN[C@H]2CCc3ccc(F)cc32)ccn1 ZINC000357855226 1120465166 /nfs/dbraw/zinc/46/51/66/1120465166.db2.gz SJAMLSVKPWCCRX-HNNXBMFYSA-N 0 1 288.391 3.720 20 0 CHADMN COc1ccc(CNC2(c3ccccc3OC)CC2)c(C)c1 ZINC000922209491 1120468387 /nfs/dbraw/zinc/46/83/87/1120468387.db2.gz DZWLCWUPIWTVKM-UHFFFAOYSA-N 0 1 297.398 3.791 20 0 CHADMN Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000080413328 1120468550 /nfs/dbraw/zinc/46/85/50/1120468550.db2.gz KVMHQRLJABSCAL-KRWDZBQOSA-N 0 1 297.402 3.819 20 0 CHADMN C(=C\c1ccccc1)\CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000511639416 1120469524 /nfs/dbraw/zinc/46/95/24/1120469524.db2.gz GAYYFJGHVDRFHX-JAFJLQOXSA-N 0 1 297.398 3.974 20 0 CHADMN Cc1ccccc1NC(=O)c1ccc(Cl)cc1O ZINC000019840505 1120470653 /nfs/dbraw/zinc/47/06/53/1120470653.db2.gz VZWBWNQTANJSFW-UHFFFAOYSA-N 0 1 261.708 3.606 20 0 CHADMN C[C@@H]1CCN(C(=O)c2[nH]nc3ccccc32)[C@H]2CCCC[C@@H]12 ZINC000315948684 1120472711 /nfs/dbraw/zinc/47/27/11/1120472711.db2.gz UQKRGPLKCRZSTR-WWGRRREGSA-N 0 1 297.402 3.604 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2cncn2CC)cc1 ZINC000417688014 1120473331 /nfs/dbraw/zinc/47/33/31/1120473331.db2.gz WLZLDEQJORGTCT-SFHVURJKSA-N 0 1 299.418 3.639 20 0 CHADMN C[C@@H](NCc1noc(-c2ccc(F)cc2F)n1)C(C)(C)C ZINC000189110306 1120474286 /nfs/dbraw/zinc/47/42/86/1120474286.db2.gz DBKMGBXVXDOYSQ-SECBINFHSA-N 0 1 295.333 3.539 20 0 CHADMN CCc1nc([C@@H](C)NC[C@H](OC)C2CCCCC2)cs1 ZINC000660267444 1120474360 /nfs/dbraw/zinc/47/43/60/1120474360.db2.gz NQOUDOYTXTWYFK-DOMZBBRYSA-N 0 1 296.480 3.951 20 0 CHADMN Cc1ccc([C@H]2CCN(Cc3nc(C(C)(C)C)no3)C2)cc1 ZINC000543249077 1120474508 /nfs/dbraw/zinc/47/45/08/1120474508.db2.gz NWORVOPIILHCKB-HNNXBMFYSA-N 0 1 299.418 3.665 20 0 CHADMN CC(C)(NCc1cc(C2CC2)no1)c1cccs1 ZINC000660268419 1120475151 /nfs/dbraw/zinc/47/51/51/1120475151.db2.gz HOEZXWXPKQBOJE-UHFFFAOYSA-N 0 1 262.378 3.638 20 0 CHADMN CCc1cccc(CNCc2cnn(CC3CCC3)c2)c1 ZINC000922222017 1120477127 /nfs/dbraw/zinc/47/71/27/1120477127.db2.gz MWZDVQDJUYSQEQ-UHFFFAOYSA-N 0 1 283.419 3.535 20 0 CHADMN Cc1ccc(-c2n[nH]c(S[C@@H](C)C(F)(F)F)n2)cc1 ZINC000157783077 1120478097 /nfs/dbraw/zinc/47/80/97/1120478097.db2.gz DJKFMPASIOLQIQ-QMMMGPOBSA-N 0 1 287.310 3.823 20 0 CHADMN COCc1csc(CNCc2cccc(C)c2OC)c1 ZINC000657504670 1120478683 /nfs/dbraw/zinc/47/86/83/1120478683.db2.gz JWIPRUUKOFYWRB-UHFFFAOYSA-N 0 1 291.416 3.501 20 0 CHADMN CCc1ccccc1CN1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001141224045 1120489262 /nfs/dbraw/zinc/48/92/62/1120489262.db2.gz AFOSOMQTWNBHLK-IRXDYDNUSA-N 0 1 271.404 3.583 20 0 CHADMN COc1cncc(CN2CCCCC[C@H]2c2ccco2)c1 ZINC000343860166 1120490403 /nfs/dbraw/zinc/49/04/03/1120490403.db2.gz MBCFHUMRTVGZOM-INIZCTEOSA-N 0 1 286.375 3.801 20 0 CHADMN C[C@H]1Cc2cc(CNCc3cccc(F)c3F)ccc2O1 ZINC000922301875 1120504395 /nfs/dbraw/zinc/50/43/95/1120504395.db2.gz KVTAQVFHHWKPBY-NSHDSACASA-N 0 1 289.325 3.578 20 0 CHADMN Cc1scc(CNCc2cnn(C3CCC3)c2)c1C ZINC000922303135 1120505213 /nfs/dbraw/zinc/50/52/13/1120505213.db2.gz SQBYTTIHJRTFBZ-UHFFFAOYSA-N 0 1 275.421 3.576 20 0 CHADMN Cc1ccc([C@H](N[C@H]2COC(C)(C)C2)c2ccccn2)cc1 ZINC000418028794 1120507177 /nfs/dbraw/zinc/50/71/77/1120507177.db2.gz KWQNNZJKVIPCPE-AEFFLSMTSA-N 0 1 296.414 3.637 20 0 CHADMN Cc1cc(CN2CCC[C@H]2C)ccc1Br ZINC000500092751 1120507532 /nfs/dbraw/zinc/50/75/32/1120507532.db2.gz QPDJUKVQLDCXHT-LLVKDONJSA-N 0 1 268.198 3.742 20 0 CHADMN C[C@@H](NCc1cccc2c1OCC2)c1cc2cnccc2o1 ZINC000922320934 1120511225 /nfs/dbraw/zinc/51/12/25/1120511225.db2.gz QSBGHDRQXMWERC-GFCCVEGCSA-N 0 1 294.354 3.614 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2ccc(F)cc2C)n(C)n1 ZINC000418111125 1120519324 /nfs/dbraw/zinc/51/93/24/1120519324.db2.gz GKDVYIKWTIBMOP-KRWDZBQOSA-N 0 1 287.382 3.513 20 0 CHADMN CCCCc1nc(CNC2(C3CC3)CC2)cs1 ZINC000543453973 1120526442 /nfs/dbraw/zinc/52/64/42/1120526442.db2.gz BLRSTIHJAJWNEL-UHFFFAOYSA-N 0 1 250.411 3.518 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CCCc2ccccc21 ZINC000019839185 1120529503 /nfs/dbraw/zinc/52/95/03/1120529503.db2.gz MJANPGUPUNLVLA-UHFFFAOYSA-N 0 1 287.746 3.639 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H]2CCCC2(F)F)cs1 ZINC000390564396 1120566548 /nfs/dbraw/zinc/56/65/48/1120566548.db2.gz BBGLXYRCSXIZOS-PSASIEDQSA-N 0 1 260.353 3.538 20 0 CHADMN CCN(C(=O)c1ccc(Cl)cc1O)c1ccccc1 ZINC000019839399 1120529956 /nfs/dbraw/zinc/52/99/56/1120529956.db2.gz FEBDKBCEWAWTLC-UHFFFAOYSA-N 0 1 275.735 3.712 20 0 CHADMN Cc1cc([C@@H](C)NC[C@@H](C)Sc2ccccc2)nn1C ZINC000282358352 1120531133 /nfs/dbraw/zinc/53/11/33/1120531133.db2.gz WASMBEMUORBNIX-ZIAGYGMSSA-N 0 1 289.448 3.560 20 0 CHADMN C[C@H]1CCN[C@@H](c2nc(-c3ccc4ccccc4c3)no2)C1 ZINC000319351977 1120535992 /nfs/dbraw/zinc/53/59/92/1120535992.db2.gz VSJHBQYGUXGYSE-BLLLJJGKSA-N 0 1 293.370 3.950 20 0 CHADMN CCCSC[C@H](C)N[C@H](c1nc(C2CC2)no1)C(C)C ZINC000893346984 1120548463 /nfs/dbraw/zinc/54/84/63/1120548463.db2.gz XRJMHCDGSNJNSK-AAEUAGOBSA-N 0 1 297.468 3.765 20 0 CHADMN C[C@@H](NCc1ccccn1)c1ccccc1C(F)(F)F ZINC000019957308 1120551142 /nfs/dbraw/zinc/55/11/42/1120551142.db2.gz UJCJNKNHWLEQTN-LLVKDONJSA-N 0 1 280.293 3.951 20 0 CHADMN Cc1cccc(CNCc2c(C)cc(CO)cc2C)c1F ZINC000922561758 1120551295 /nfs/dbraw/zinc/55/12/95/1120551295.db2.gz FFWWDDBXLDPTSE-UHFFFAOYSA-N 0 1 287.378 3.533 20 0 CHADMN COc1ccc(C)cc1CN[C@@H](c1ccccn1)C1CC1 ZINC000922586084 1120558253 /nfs/dbraw/zinc/55/82/53/1120558253.db2.gz KJHOWLKCSZQTMQ-GOSISDBHSA-N 0 1 282.387 3.640 20 0 CHADMN CC[C@@H](NCc1cnc(C)s1)c1cc(F)ccc1OC ZINC000922619500 1120565544 /nfs/dbraw/zinc/56/55/44/1120565544.db2.gz HFTRXLXJZNVTJE-CQSZACIVSA-N 0 1 294.395 3.840 20 0 CHADMN Cc1nc([C@@H](C)NC[C@@H]2CCCC2(F)F)cs1 ZINC000390564397 1120567013 /nfs/dbraw/zinc/56/70/13/1120567013.db2.gz BBGLXYRCSXIZOS-SCZZXKLOSA-N 0 1 260.353 3.538 20 0 CHADMN CC(C)(/C=C\Cl)NCc1cccc(Cl)c1N ZINC000922646090 1120570556 /nfs/dbraw/zinc/57/05/56/1120570556.db2.gz YDYZVTGWHWFMHQ-SREVYHEPSA-N 0 1 259.180 3.543 20 0 CHADMN CCCCN(C(=O)c1ccc(CN(CC)CC)o1)C1CC1 ZINC000046973101 1120571010 /nfs/dbraw/zinc/57/10/10/1120571010.db2.gz FAKOMVFIFUUVHE-UHFFFAOYSA-N 0 1 292.423 3.526 20 0 CHADMN CC(C)C[C@H](NCc1cn(C)cn1)c1ccc(Cl)cc1 ZINC000673602731 1120571687 /nfs/dbraw/zinc/57/16/87/1120571687.db2.gz RTGULBHEAFLFIR-INIZCTEOSA-N 0 1 291.826 3.951 20 0 CHADMN CSc1ccc(-c2cccc([C@@H]3COCCN3)c2)cc1 ZINC000629693190 1128925394 /nfs/dbraw/zinc/92/53/94/1128925394.db2.gz DIHSGJZWUPFWFL-KRWDZBQOSA-N 0 1 285.412 3.736 20 0 CHADMN CC(C)c1nnc(CN[C@@H]2C[C@H]2C2CCCCC2)s1 ZINC000893356212 1120574371 /nfs/dbraw/zinc/57/43/71/1120574371.db2.gz KTNDXNALIMMVFN-QWHCGFSZSA-N 0 1 279.453 3.720 20 0 CHADMN Fc1ccc(/C=C/CN2CC[C@]3(CC3(F)F)C2)c(F)c1 ZINC000652063457 1120574874 /nfs/dbraw/zinc/57/48/74/1120574874.db2.gz MUNQZRPDSIMBEC-YUKKFKLSSA-N 0 1 285.284 3.709 20 0 CHADMN c1coc(CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1 ZINC000652069527 1120577968 /nfs/dbraw/zinc/57/79/68/1120577968.db2.gz OUIWCSVGAKUJOS-BZSNNMDCSA-N 0 1 283.371 3.774 20 0 CHADMN COc1c(C)cnc(CN[C@H](C)c2ccccc2)c1C ZINC000020035587 1120579982 /nfs/dbraw/zinc/57/99/82/1120579982.db2.gz ABXCKBDGICQSGV-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN CCc1cc(CN[C@@H]2C[C@H](C)Sc3sccc32)n[nH]1 ZINC000765996330 1120581443 /nfs/dbraw/zinc/58/14/43/1120581443.db2.gz YZNJWLMCWVBTBI-TVQRCGJNSA-N 0 1 293.461 3.749 20 0 CHADMN CCc1cc(CN[C@@H]2C[C@H](C)Sc3sccc32)[nH]n1 ZINC000765996330 1120581445 /nfs/dbraw/zinc/58/14/45/1120581445.db2.gz YZNJWLMCWVBTBI-TVQRCGJNSA-N 0 1 293.461 3.749 20 0 CHADMN CCc1cnccc1[C@@H](C)N[C@H](C)c1ccnn1C1CCC1 ZINC000925684968 1120585481 /nfs/dbraw/zinc/58/54/81/1120585481.db2.gz JRUJNOXSBFXSKY-ZIAGYGMSSA-N 0 1 298.434 3.977 20 0 CHADMN CCc1ccc2ccccc2c1CNCc1snnc1C ZINC000922714639 1120586079 /nfs/dbraw/zinc/58/60/79/1120586079.db2.gz DZHHTWBMWXVXPZ-UHFFFAOYSA-N 0 1 297.427 3.852 20 0 CHADMN CCO[C@H]1C[C@@H](NCc2nc(C)oc2C)C12CCCCC2 ZINC000660413503 1120588795 /nfs/dbraw/zinc/58/87/95/1120588795.db2.gz RJHDWPJQGDBCKJ-CVEARBPZSA-N 0 1 292.423 3.509 20 0 CHADMN Cc1cnc(CNC[C@@H]2[C@@H](c3ccccc3)C2(F)F)s1 ZINC000922772826 1120597368 /nfs/dbraw/zinc/59/73/68/1120597368.db2.gz QZKBWMQEDBGKNL-TZMCWYRMSA-N 0 1 294.370 3.590 20 0 CHADMN C=Cn1cc(CN[C@@H](C)c2cc(C)sc2C)cn1 ZINC000194348606 1120597983 /nfs/dbraw/zinc/59/79/83/1120597983.db2.gz RLIMUBMTSCSUDH-NSHDSACASA-N 0 1 261.394 3.513 20 0 CHADMN CC[C@@H](CN[C@H]1CCCC1(F)F)c1ccccc1 ZINC000673618480 1120600692 /nfs/dbraw/zinc/60/06/92/1120600692.db2.gz JXGSLEDSCJFRIQ-JSGCOSHPSA-N 0 1 253.336 3.958 20 0 CHADMN C[C@H](CF)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000673619476 1120604155 /nfs/dbraw/zinc/60/41/55/1120604155.db2.gz KRUNMTRPNNICSI-CYBMUJFWSA-N 0 1 291.341 3.852 20 0 CHADMN CC[C@@H]1CCCN(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000509039477 1120609701 /nfs/dbraw/zinc/60/97/01/1120609701.db2.gz KRNVJUHCXAFZTD-GFCCVEGCSA-N 0 1 295.810 3.733 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCOC[C@@H](C2CCC2)C1 ZINC000429009605 1120613407 /nfs/dbraw/zinc/61/34/07/1120613407.db2.gz OJBXACHBELEOOL-DOMZBBRYSA-N 0 1 295.373 3.774 20 0 CHADMN c1nn[n-]c1C[NH2+]C1CCCCCCCCCCC1 ZINC000398383011 1120615805 /nfs/dbraw/zinc/61/58/05/1120615805.db2.gz UYTSEXFFYXOJJR-UHFFFAOYSA-N 0 1 264.417 3.568 20 0 CHADMN COc1cccc(C)c1CN[C@@H]1CCCc2cccnc21 ZINC000922874975 1120616175 /nfs/dbraw/zinc/61/61/75/1120616175.db2.gz FMLNRJCGTJHFDG-MRXNPFEDSA-N 0 1 282.387 3.566 20 0 CHADMN CN(Cc1ccncc1Br)[C@@H]1CCC(C)(C)C1 ZINC000625385545 1120674841 /nfs/dbraw/zinc/67/48/41/1120674841.db2.gz CWVVDYHRIOBXPH-GFCCVEGCSA-N 0 1 297.240 3.855 20 0 CHADMN CCc1cc(CN[C@H](C)c2cc(C)c(F)c(C)c2)[nH]n1 ZINC000766003014 1120617797 /nfs/dbraw/zinc/61/77/97/1120617797.db2.gz NNNLKOHDGLQLSH-GFCCVEGCSA-N 0 1 275.371 3.579 20 0 CHADMN C[C@H](CC(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1F ZINC000338890627 1120622477 /nfs/dbraw/zinc/62/24/77/1120622477.db2.gz VEIOTWUOQVHFKF-LLVKDONJSA-N 0 1 297.333 3.834 20 0 CHADMN C[N@@H+](Cc1cc(F)c(F)cc1F)C1Cc2ccccc2C1 ZINC000511664088 1120625145 /nfs/dbraw/zinc/62/51/45/1120625145.db2.gz FZCQDGBZCFOSCX-UHFFFAOYSA-N 0 1 291.316 3.703 20 0 CHADMN CN(Cc1cc(F)c(F)cc1F)C1Cc2ccccc2C1 ZINC000511664088 1120625149 /nfs/dbraw/zinc/62/51/49/1120625149.db2.gz FZCQDGBZCFOSCX-UHFFFAOYSA-N 0 1 291.316 3.703 20 0 CHADMN COc1ccccc1/C=C\CN(C)CCC(F)(F)F ZINC000511738406 1120630379 /nfs/dbraw/zinc/63/03/79/1120630379.db2.gz BFFUDOIIMOVLQO-ALCCZGGFSA-N 0 1 273.298 3.593 20 0 CHADMN c1ccc(-c2nnc(CN[C@H]3CCC34CCC4)s2)cc1 ZINC000282411548 1120630896 /nfs/dbraw/zinc/63/08/96/1120630896.db2.gz YGAGDGGPLPFKOA-ZDUSSCGKSA-N 0 1 285.416 3.627 20 0 CHADMN COc1ccc([C@@H](NCc2cnc(C)o2)C2CCC2)cc1 ZINC000922886564 1120631706 /nfs/dbraw/zinc/63/17/06/1120631706.db2.gz BYIAUTJENNTEIP-KRWDZBQOSA-N 0 1 286.375 3.623 20 0 CHADMN Cc1ccc([C@@H](C)N[C@@H]2CCCn3nccc32)cc1F ZINC000657905724 1120639638 /nfs/dbraw/zinc/63/96/38/1120639638.db2.gz UENORHJXXXLGRD-IUODEOHRSA-N 0 1 273.355 3.516 20 0 CHADMN CCOc1cc(CN2CC[C@H]2C(C)C)cc(Cl)c1OC ZINC000538299851 1120641739 /nfs/dbraw/zinc/64/17/39/1120641739.db2.gz WUVNWDGJIRRQDK-AWEZNQCLSA-N 0 1 297.826 3.978 20 0 CHADMN Cn1nccc1[C@H]1CCCCN1C/C=C\c1ccccc1 ZINC000500431853 1120653896 /nfs/dbraw/zinc/65/38/96/1120653896.db2.gz ZSRDYRXFUKKAGD-IEODJVTJSA-N 0 1 281.403 3.661 20 0 CHADMN CC(C)[C@@]1(CO)CCN([C@H](C)c2cccc(Cl)c2F)C1 ZINC001117673482 1120655387 /nfs/dbraw/zinc/65/53/87/1120655387.db2.gz QNICZGBBROQHQN-WBMJQRKESA-N 0 1 299.817 3.881 20 0 CHADMN Cc1cccnc1CN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282429091 1120656457 /nfs/dbraw/zinc/65/64/57/1120656457.db2.gz KACRLUOXFCFAAG-AWEZNQCLSA-N 0 1 298.352 3.945 20 0 CHADMN CO[C@H](CN[C@@H](C)c1c(F)cncc1F)C1CCCCC1 ZINC000660551688 1120656574 /nfs/dbraw/zinc/65/65/74/1120656574.db2.gz NCDVWPPAUTZDLS-XHDPSFHLSA-N 0 1 298.377 3.606 20 0 CHADMN FC(F)c1ccccc1-c1ccc([C@H]2COCCN2)cc1 ZINC000629733867 1128931177 /nfs/dbraw/zinc/93/11/77/1128931177.db2.gz DLAQJXPNYARIER-MRXNPFEDSA-N 0 1 289.325 3.952 20 0 CHADMN CC[C@H]1CN(Cc2csc3ccccc23)C[C@@H](C)O1 ZINC000511841701 1120661260 /nfs/dbraw/zinc/66/12/60/1120661260.db2.gz FGLXPBGDMHAGPT-OCCSQVGLSA-N 0 1 275.417 3.901 20 0 CHADMN COc1cncc(CN[C@H](CC2CCC2)c2ccccc2)n1 ZINC000625312149 1120665971 /nfs/dbraw/zinc/66/59/71/1120665971.db2.gz CHXHHZSYUHOAJY-QGZVFWFLSA-N 0 1 297.402 3.506 20 0 CHADMN c1ncn2cc(-c3nc(C4CCCCCC4)no3)ccc12 ZINC000647694640 1120666918 /nfs/dbraw/zinc/66/69/18/1120666918.db2.gz HWRFGSGMOOSUAT-UHFFFAOYSA-N 0 1 282.347 3.822 20 0 CHADMN CC(=O)Nc1ccc(CN[C@@H](C)c2cc(C)c(C)o2)cc1 ZINC000282439462 1120668536 /nfs/dbraw/zinc/66/85/36/1120668536.db2.gz ZIYQBTOZJACCAJ-LBPRGKRZSA-N 0 1 286.375 3.706 20 0 CHADMN C[C@H]1CC2(CCC2)CN1Cc1ccncc1Br ZINC000625372239 1120673550 /nfs/dbraw/zinc/67/35/50/1120673550.db2.gz YLQBWQRMTHOWEA-NSHDSACASA-N 0 1 295.224 3.609 20 0 CHADMN CC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000642330219 1120675346 /nfs/dbraw/zinc/67/53/46/1120675346.db2.gz XZPXOWZVJAXAAA-ZIAGYGMSSA-N 0 1 292.398 3.583 20 0 CHADMN CC(C)c1cccc(CN(C)Cc2ccccn2)c1 ZINC000660679199 1120676594 /nfs/dbraw/zinc/67/65/94/1120676594.db2.gz IXHXSTXLJFEVHC-UHFFFAOYSA-N 0 1 254.377 3.837 20 0 CHADMN Fc1cc(CN2CCC[C@H]3CCC[C@@H]32)cc(F)c1F ZINC000511870065 1120680788 /nfs/dbraw/zinc/68/07/88/1120680788.db2.gz BUOURYPVWFMHBB-RISCZKNCSA-N 0 1 269.310 3.868 20 0 CHADMN CC(C)N(Cc1ccco1)Cc1cc2cnccc2o1 ZINC000651612128 1120682255 /nfs/dbraw/zinc/68/22/55/1120682255.db2.gz BAOOKUNURSXWOX-UHFFFAOYSA-N 0 1 270.332 3.831 20 0 CHADMN CCN(Cc1ccncc1Br)CC(C)(C)C ZINC000625442552 1120682911 /nfs/dbraw/zinc/68/29/11/1120682911.db2.gz IKSCYNHPONSJIR-UHFFFAOYSA-N 0 1 285.229 3.712 20 0 CHADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@H]1C[C@H]1C ZINC000625459224 1120684966 /nfs/dbraw/zinc/68/49/66/1120684966.db2.gz UDJKHXKXGHXXCB-OUAUKWLOSA-N 0 1 277.799 3.865 20 0 CHADMN CCC[C@H](NCc1nnc(C(F)(F)F)s1)C1CCC1 ZINC000660783526 1120689575 /nfs/dbraw/zinc/68/95/75/1120689575.db2.gz QVZPELWBAKYPPY-VIFPVBQESA-N 0 1 293.358 3.615 20 0 CHADMN CC(=O)c1ccc2c(c1)CN(C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000660802430 1120690427 /nfs/dbraw/zinc/69/04/27/1120690427.db2.gz WRMUERREWRMRLZ-UNEWFSDZSA-N 0 1 269.388 3.641 20 0 CHADMN Clc1ccc(-c2ccc([C@H]3COCCN3)cc2)s1 ZINC000629752424 1128933639 /nfs/dbraw/zinc/93/36/39/1128933639.db2.gz DFGHCINCLLTUDN-GFCCVEGCSA-N 0 1 279.792 3.729 20 0 CHADMN CC(=O)c1ccc2c(c1)CN([C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000660802070 1120690790 /nfs/dbraw/zinc/69/07/90/1120690790.db2.gz WDYULNNEZUVLNM-RTBURBONSA-N 0 1 277.367 3.761 20 0 CHADMN COc1cc(F)c(CN2C3CCCC2CCC3)cc1OC ZINC000651645439 1120692617 /nfs/dbraw/zinc/69/26/17/1120692617.db2.gz SMAYWNUPLHQUMB-UHFFFAOYSA-N 0 1 293.382 3.750 20 0 CHADMN CN(Cc1cn[nH]c1)C1c2ccccc2-c2ccccc21 ZINC000673927845 1120694691 /nfs/dbraw/zinc/69/46/91/1120694691.db2.gz PDBPZGSQKWECJX-UHFFFAOYSA-N 0 1 275.355 3.612 20 0 CHADMN C[C@H](c1ccc2ccccc2c1)N(C)Cc1cn[nH]c1 ZINC000673927012 1120695044 /nfs/dbraw/zinc/69/50/44/1120695044.db2.gz HAFFMNCLOGPKRG-CYBMUJFWSA-N 0 1 265.360 3.756 20 0 CHADMN C[C@@H]1CN(CCC(=O)c2ccccc2)Cc2ccccc2O1 ZINC000429165227 1120695103 /nfs/dbraw/zinc/69/51/03/1120695103.db2.gz ZEFLOPJDCGMLQE-OAHLLOKOSA-N 0 1 295.382 3.543 20 0 CHADMN CCCC1CCC(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC000629771244 1128934275 /nfs/dbraw/zinc/93/42/75/1128934275.db2.gz GPYPXIWDMLXKKZ-LBDPXKHJSA-N 0 1 281.440 3.636 20 0 CHADMN Clc1ccc(CNCc2cccc3c2CCC3)o1 ZINC000651666351 1120700655 /nfs/dbraw/zinc/70/06/55/1120700655.db2.gz ZNMDFUOXKHNBHS-UHFFFAOYSA-N 0 1 261.752 3.712 20 0 CHADMN FC(F)Oc1ccccc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000660931129 1120702632 /nfs/dbraw/zinc/70/26/32/1120702632.db2.gz YXDSNNBLZDXOPI-AAEUAGOBSA-N 0 1 267.319 3.662 20 0 CHADMN Cc1cc(CN[C@@H]2c3ccccc3O[C@@H]2C)ccc1F ZINC000673962317 1120702921 /nfs/dbraw/zinc/70/29/21/1120702921.db2.gz HNUZJMMDEDWWAB-PXAZEXFGSA-N 0 1 271.335 3.746 20 0 CHADMN Cc1ccc(-c2nnc([C@H](C)N3C[C@@H]4CCCC[C@@H]43)o2)cc1 ZINC000660928540 1120704760 /nfs/dbraw/zinc/70/47/60/1120704760.db2.gz OWENGQVUJCCXQE-BPUTZDHNSA-N 0 1 297.402 3.980 20 0 CHADMN CCCCOCCCNCc1csc(C(C)(C)C)n1 ZINC000125114992 1120708916 /nfs/dbraw/zinc/70/89/16/1120708916.db2.gz WPNRLEKHRBUDBT-UHFFFAOYSA-N 0 1 284.469 3.737 20 0 CHADMN Cc1cnc(CN2CCC[C@@H]2c2c(C)cccc2C)nc1 ZINC000661131926 1120726065 /nfs/dbraw/zinc/72/60/65/1120726065.db2.gz FDHAUNDEFVJXGF-MRXNPFEDSA-N 0 1 281.403 3.739 20 0 CHADMN COc1ccc(CNCc2cccc3c2CCC3)c(F)c1 ZINC000651732992 1120730161 /nfs/dbraw/zinc/73/01/61/1120730161.db2.gz QZYHVZWHHUJRDL-UHFFFAOYSA-N 0 1 285.362 3.613 20 0 CHADMN C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1cc2cnccc2o1 ZINC000651758316 1120736500 /nfs/dbraw/zinc/73/65/00/1120736500.db2.gz WRWVZAOVLBBSNF-CMPLNLGQSA-N 0 1 298.308 3.991 20 0 CHADMN Cc1cnc([C@@H](C)[N@H+]2CCc3ccccc3C(C)(C)C2)o1 ZINC000661213665 1120738916 /nfs/dbraw/zinc/73/89/16/1120738916.db2.gz VVRUEGWZMSZKGK-CQSZACIVSA-N 0 1 284.403 3.880 20 0 CHADMN CCc1nnc([C@@H](C)N2CCc3ccccc3C(C)(C)C2)o1 ZINC000661211661 1120739225 /nfs/dbraw/zinc/73/92/25/1120739225.db2.gz LOTJMWDCAPPMJN-CYBMUJFWSA-N 0 1 299.418 3.529 20 0 CHADMN Fc1cccc2c1OCC[C@@H]2NCc1cccc2c1CCC2 ZINC000651781088 1120743262 /nfs/dbraw/zinc/74/32/62/1120743262.db2.gz ATWQRCPPJFGBIP-SFHVURJKSA-N 0 1 297.373 3.928 20 0 CHADMN CCCOc1ccc(Nc2cc(=O)[nH]c(Cl)n2)cc1F ZINC001211666221 1120750612 /nfs/dbraw/zinc/75/06/12/1120750612.db2.gz YKXFCRPMDUARNM-UHFFFAOYSA-N 0 1 297.717 3.507 20 0 CHADMN CC[C@@H]1c2ccsc2CCN1Cc1ncccc1C ZINC000093159226 1128937833 /nfs/dbraw/zinc/93/78/33/1128937833.db2.gz NVXONHJWEUECAJ-OAHLLOKOSA-N 0 1 272.417 3.961 20 0 CHADMN C[C@@H]1CCCN1Cc1ccccc1OC(F)(F)F ZINC000202498285 1120754191 /nfs/dbraw/zinc/75/41/91/1120754191.db2.gz HOHXKSYUSRJSFA-SNVBAGLBSA-N 0 1 259.271 3.570 20 0 CHADMN C[C@@H]1C[C@@H](NCc2cc3cnccc3o2)c2ccccc2O1 ZINC000651819522 1120754803 /nfs/dbraw/zinc/75/48/03/1120754803.db2.gz CLIIQJNBULQFHC-MLGOLLRUSA-N 0 1 294.354 3.830 20 0 CHADMN Brc1ccccc1CCN1CC2(C1)CCCC2 ZINC001207529189 1120755759 /nfs/dbraw/zinc/75/57/59/1120755759.db2.gz ZUKKSVFACTVZLT-UHFFFAOYSA-N 0 1 294.236 3.868 20 0 CHADMN Cc1ccc(OCCCN[C@H](C)c2cscn2)cc1C ZINC000661422021 1120763919 /nfs/dbraw/zinc/76/39/19/1120763919.db2.gz OOQLRDWHBMYKLQ-CQSZACIVSA-N 0 1 290.432 3.880 20 0 CHADMN CC(C)COCCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661433421 1120765194 /nfs/dbraw/zinc/76/51/94/1120765194.db2.gz GGQGGBJBJBSWPC-MRXNPFEDSA-N 0 1 277.408 3.869 20 0 CHADMN Nc1cccc(CN2CC3(CCCC3)[C@@H]2c2ccco2)c1 ZINC000661437126 1120766627 /nfs/dbraw/zinc/76/66/27/1120766627.db2.gz ZILHILSUVOVUPA-KRWDZBQOSA-N 0 1 282.387 3.979 20 0 CHADMN c1coc([C@@H]2N(C[C@H]3CCCCO3)CC23CCCC3)c1 ZINC000661446805 1120767143 /nfs/dbraw/zinc/76/71/43/1120767143.db2.gz RCTQESCQCCEHPO-ZBFHGGJFSA-N 0 1 275.392 3.766 20 0 CHADMN CC(C)CC[N@@H+](Cc1cc(F)cc2c1OCOC2)C1CC1 ZINC000045751862 1120768242 /nfs/dbraw/zinc/76/82/42/1120768242.db2.gz KDBHIIHENJAUII-UHFFFAOYSA-N 0 1 293.382 3.703 20 0 CHADMN Fc1ccc(-n2nccc2CN2CCC23CCCC3)cc1 ZINC000651872918 1120768454 /nfs/dbraw/zinc/76/84/54/1120768454.db2.gz ITJJWIXNYUBNTN-UHFFFAOYSA-N 0 1 285.366 3.530 20 0 CHADMN CCc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)CC(C)C ZINC000045769839 1120768690 /nfs/dbraw/zinc/76/86/90/1120768690.db2.gz YFZKZABKUXEFFX-AWEZNQCLSA-N 0 1 276.424 3.554 20 0 CHADMN CCc1ccccc1CN[C@@H](COC)c1cccc(OC)c1 ZINC000661470645 1120768932 /nfs/dbraw/zinc/76/89/32/1120768932.db2.gz RAXUAHNHTBHAGA-IBGZPJMESA-N 0 1 299.414 3.735 20 0 CHADMN COC[C@@H](NCc1c(C)cccc1C)c1cccc(OC)c1 ZINC000661477014 1120770129 /nfs/dbraw/zinc/77/01/29/1120770129.db2.gz DTHYUWKKIUVHID-LJQANCHMSA-N 0 1 299.414 3.789 20 0 CHADMN CC(C)O[C@@H]1CCCN(Cc2cnc(C3CCC3)s2)C1 ZINC000651897585 1120771977 /nfs/dbraw/zinc/77/19/77/1120771977.db2.gz FCGBDZOPOVAOEM-CQSZACIVSA-N 0 1 294.464 3.800 20 0 CHADMN CC(C)O[C@H]1CCCN(Cc2cnc(C(C)(C)C)s2)C1 ZINC000651897095 1120772753 /nfs/dbraw/zinc/77/27/53/1120772753.db2.gz OEVMSWSUOGIRED-ZDUSSCGKSA-N 0 1 296.480 3.830 20 0 CHADMN Cc1cc(CN2CCC3(CC2)C(F)(F)C3(F)F)cs1 ZINC000651901179 1120774017 /nfs/dbraw/zinc/77/40/17/1120774017.db2.gz ZIABWLAVVGCZCX-UHFFFAOYSA-N 0 1 293.329 3.923 20 0 CHADMN C[C@H](O)C[C@H](C)NCc1c(Cl)ccc(Cl)c1Cl ZINC000228086662 1120774692 /nfs/dbraw/zinc/77/46/92/1120774692.db2.gz OTFRLZFTSHQKIY-YUMQZZPRSA-N 0 1 296.625 3.896 20 0 CHADMN Cc1ccc2cc[nH+]c(N3CCC[C@H](CCC(=O)[O-])C3)c2c1 ZINC000662887458 1120779505 /nfs/dbraw/zinc/77/95/05/1120779505.db2.gz IOLXCPPHBAQQGR-CQSZACIVSA-N 0 1 298.386 3.624 20 0 CHADMN CC(C)n1ccnc1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000661578019 1120780873 /nfs/dbraw/zinc/78/08/73/1120780873.db2.gz HRAXHFFKFCAXTJ-MRXNPFEDSA-N 0 1 275.440 3.866 20 0 CHADMN CC(C)n1ccnc1CN1CC[C@@H](C2CCCCC2)C1 ZINC000661578019 1120780875 /nfs/dbraw/zinc/78/08/75/1120780875.db2.gz HRAXHFFKFCAXTJ-MRXNPFEDSA-N 0 1 275.440 3.866 20 0 CHADMN CC(C)c1nnc(CN2CC[C@@H](C3CCCCC3)C2)o1 ZINC000661586880 1120782911 /nfs/dbraw/zinc/78/29/11/1120782911.db2.gz VONZAZMFFWUNBY-CQSZACIVSA-N 0 1 277.412 3.595 20 0 CHADMN CN(CCCCF)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661645678 1120789083 /nfs/dbraw/zinc/78/90/83/1120789083.db2.gz YIFRMHMSDIQHFL-GFCCVEGCSA-N 0 1 294.197 3.708 20 0 CHADMN CC1(C)C[C@@H](NCc2cc[nH]c2)c2cc(F)ccc2O1 ZINC000651949866 1120790092 /nfs/dbraw/zinc/79/00/92/1120790092.db2.gz WZRQBZXBGMBZDV-CQSZACIVSA-N 0 1 274.339 3.546 20 0 CHADMN C/C=C/C[C@@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000629876303 1128940606 /nfs/dbraw/zinc/94/06/06/1128940606.db2.gz GZBHCKPMWUXKBY-QAVQXKDTSA-N 0 1 293.794 3.864 20 0 CHADMN CC[C@H](c1ccc(F)cc1F)N(C)CC1=CCCOC1 ZINC000661655693 1120790441 /nfs/dbraw/zinc/79/04/41/1120790441.db2.gz UIOPKPKVNSBRMK-MRXNPFEDSA-N 0 1 281.346 3.694 20 0 CHADMN Cc1cc(CN[C@@H](CC(C)C)c2ccc(F)cc2)on1 ZINC000652149977 1120791815 /nfs/dbraw/zinc/79/18/15/1120791815.db2.gz HPDRRYAMZOSLLR-INIZCTEOSA-N 0 1 276.355 3.999 20 0 CHADMN CCC1(CC)CCCN([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000661674474 1120792809 /nfs/dbraw/zinc/79/28/09/1120792809.db2.gz KHSXCOVBCZMYNO-LBPRGKRZSA-N 0 1 277.412 3.910 20 0 CHADMN CCC(CC)n1ccc(CN2CCC[C@@H](CCF)C2)n1 ZINC000661691098 1120796310 /nfs/dbraw/zinc/79/63/10/1120796310.db2.gz SMUGHEWMWXMPJC-AWEZNQCLSA-N 0 1 281.419 3.816 20 0 CHADMN CC(C)(C)OCCNCc1nc(-c2ccccc2)cs1 ZINC000308759592 1120798094 /nfs/dbraw/zinc/79/80/94/1120798094.db2.gz XLQNNYSJBGFTJW-UHFFFAOYSA-N 0 1 290.432 3.715 20 0 CHADMN CCCCc1noc(CN(C2CC2)C2CCCCC2)n1 ZINC000048008993 1120800520 /nfs/dbraw/zinc/80/05/20/1120800520.db2.gz VZTWTXMHOJQJLG-UHFFFAOYSA-N 0 1 277.412 3.709 20 0 CHADMN Cc1ccc(CNCc2cccnc2OC(C)C)c(C)c1 ZINC000048068413 1120800766 /nfs/dbraw/zinc/80/07/66/1120800766.db2.gz VJUPECJWXFRDDN-UHFFFAOYSA-N 0 1 284.403 3.775 20 0 CHADMN CC[C@H](OCCN[C@@H]1C[C@@H](C)n2ccnc21)c1ccccc1 ZINC000652235642 1120802615 /nfs/dbraw/zinc/80/26/15/1120802615.db2.gz NOMJBFMMLIZYBO-OIISXLGYSA-N 0 1 299.418 3.646 20 0 CHADMN Cc1c(Cl)c(CN2CCCC2)nc2ccccc12 ZINC000048214690 1120804715 /nfs/dbraw/zinc/80/47/15/1120804715.db2.gz BBWSFOIGSJTKNJ-UHFFFAOYSA-N 0 1 260.768 3.792 20 0 CHADMN COc1cc(C)ccc1CN[C@@H](C)c1ccc2c(c1)CCO2 ZINC000178446732 1120807486 /nfs/dbraw/zinc/80/74/86/1120807486.db2.gz LDVCKPQTWVSDRN-AWEZNQCLSA-N 0 1 297.398 3.789 20 0 CHADMN CCc1cccc(CN[C@H](C)c2ccc(F)cn2)c1 ZINC000652306917 1120817144 /nfs/dbraw/zinc/81/71/44/1120817144.db2.gz JGYUDXJLAKLDIV-GFCCVEGCSA-N 0 1 258.340 3.634 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N(Cc2nc(-c3ccsc3)no2)C1 ZINC000661862102 1120827073 /nfs/dbraw/zinc/82/70/73/1120827073.db2.gz CMZCLDJNFCRCSX-VXGBXAGGSA-N 0 1 291.420 3.809 20 0 CHADMN Fc1cccc(CN2CCC([C@H]3CCCCO3)CC2)c1F ZINC000661874776 1120830678 /nfs/dbraw/zinc/83/06/78/1120830678.db2.gz OCZSNPVBVFBLJR-MRXNPFEDSA-N 0 1 295.373 3.746 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000652373987 1120845370 /nfs/dbraw/zinc/84/53/70/1120845370.db2.gz FWZBESDFRBECJF-LBPRGKRZSA-N 0 1 290.190 3.679 20 0 CHADMN Cc1oc(-c2ccsc2)nc1CN1CC[C@H]2C[C@H]2C1 ZINC000661970658 1120849420 /nfs/dbraw/zinc/84/94/20/1120849420.db2.gz GIWXBVSPYARIGZ-AAEUAGOBSA-N 0 1 274.389 3.553 20 0 CHADMN CCOc1ccc(-c2nc(CN3CC[C@H]4C[C@H]4C3)co2)cc1 ZINC000661969166 1120849450 /nfs/dbraw/zinc/84/94/50/1120849450.db2.gz IKCYEABVHFOTBO-GJZGRUSLSA-N 0 1 298.386 3.582 20 0 CHADMN FC(F)(F)c1ccc2oc(CN3CC[C@@H]4C[C@@H]4C3)nc2c1 ZINC000661969418 1120849469 /nfs/dbraw/zinc/84/94/69/1120849469.db2.gz BRAAJNVCTAXJRK-NXEZZACHSA-N 0 1 296.292 3.688 20 0 CHADMN CC(C)CC[N@@H+](C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000652388597 1120851058 /nfs/dbraw/zinc/85/10/58/1120851058.db2.gz HBFWHVCGFFMNAN-UHFFFAOYSA-N 0 1 269.772 3.516 20 0 CHADMN Fc1ccc(/C=C\CNCc2ccc(Cl)cn2)cc1F ZINC000511926660 1120852497 /nfs/dbraw/zinc/85/24/97/1120852497.db2.gz MQUGAWXVISKMBP-UPHRSURJSA-N 0 1 294.732 3.816 20 0 CHADMN C[C@@H]([N@@H+](C)CC[C@H](C(=O)[O-])c1ccccc1)C(C)(C)C ZINC000652394434 1120852763 /nfs/dbraw/zinc/85/27/63/1120852763.db2.gz GXJAYLTVKWYNMG-HIFRSBDPSA-N 0 1 277.408 3.611 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)CCc1cccc2ccccc21 ZINC000652404668 1120855290 /nfs/dbraw/zinc/85/52/90/1120855290.db2.gz WMFZFFGRAGSTIP-KRWDZBQOSA-N 0 1 285.387 3.567 20 0 CHADMN CC(C)c1noc([C@@H](C)N[C@H](C)C2CCC(F)CC2)n1 ZINC000661998983 1120855837 /nfs/dbraw/zinc/85/58/37/1120855837.db2.gz AMWAPBJDRWSYSN-OKZRHMCRSA-N 0 1 283.391 3.760 20 0 CHADMN CC(C)c1noc([C@H](C)N[C@@H](C)C2CCC(F)CC2)n1 ZINC000661998985 1120856359 /nfs/dbraw/zinc/85/63/59/1120856359.db2.gz AMWAPBJDRWSYSN-ZSVAQUKISA-N 0 1 283.391 3.760 20 0 CHADMN C[C@H](C[N@@H+](C)[C@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC000652409058 1120856967 /nfs/dbraw/zinc/85/69/67/1120856967.db2.gz BQZIIMRHYAZWIL-DOMZBBRYSA-N 0 1 289.400 3.609 20 0 CHADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000652405386 1120857152 /nfs/dbraw/zinc/85/71/52/1120857152.db2.gz IYKPCRLKLYXKSS-IRXDYDNUSA-N 0 1 289.419 3.503 20 0 CHADMN C[C@@H](c1cccnc1)N(C)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000893541900 1120857528 /nfs/dbraw/zinc/85/75/28/1120857528.db2.gz ZQPOOOJXVCRGRJ-KBPBESRZSA-N 0 1 282.387 3.598 20 0 CHADMN C[C@@H]1CCCC[N@@H+](Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000652441298 1120864495 /nfs/dbraw/zinc/86/44/95/1120864495.db2.gz DWTCPABKLVYCBG-LLVKDONJSA-N 0 1 281.783 3.660 20 0 CHADMN c1coc([C@@H]2N(Cc3cccc4n[nH]cc43)CC23CCC3)c1 ZINC000628301306 1120865284 /nfs/dbraw/zinc/86/52/84/1120865284.db2.gz PPUHKRLLZYCDII-KRWDZBQOSA-N 0 1 293.370 3.883 20 0 CHADMN O=C([O-])C[N@H+](Cc1ccc(Cl)cc1)CC1=CCCCC1 ZINC000652459078 1120867874 /nfs/dbraw/zinc/86/78/74/1120867874.db2.gz SVJXRTOMCFLCAA-UHFFFAOYSA-N 0 1 293.794 3.727 20 0 CHADMN CC(C)CC1(NCc2nc(C(F)(F)F)cs2)CC1 ZINC000662072297 1120869278 /nfs/dbraw/zinc/86/92/78/1120869278.db2.gz QLFIKWJUGILFQO-UHFFFAOYSA-N 0 1 278.343 3.830 20 0 CHADMN O=C([O-])C[N@@H+](CC/C=C\c1ccccc1)C1CCCCC1 ZINC000652482241 1120870670 /nfs/dbraw/zinc/87/06/70/1120870670.db2.gz UFQIWKSXKZXIRP-XFFZJAGNSA-N 0 1 287.403 3.809 20 0 CHADMN C[C@H](NCCCOc1cccc(Cl)c1)c1nccs1 ZINC000184387529 1120871830 /nfs/dbraw/zinc/87/18/30/1120871830.db2.gz BZVBZLUCQUJHDV-NSHDSACASA-N 0 1 296.823 3.916 20 0 CHADMN COc1cccc(C2(NCc3cccc(C)n3)CCC2)c1 ZINC000662109162 1120877716 /nfs/dbraw/zinc/87/77/16/1120877716.db2.gz HJDUXYZULCAKDP-UHFFFAOYSA-N 0 1 282.387 3.568 20 0 CHADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1cncc(Br)c1 ZINC000662129684 1120882099 /nfs/dbraw/zinc/88/20/99/1120882099.db2.gz KLENRXRBGHGUPA-FTNCPSPGSA-N 0 1 295.224 3.607 20 0 CHADMN CCCC[C@@H](CC)C[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000251374685 1120883436 /nfs/dbraw/zinc/88/34/36/1120883436.db2.gz QYBXNUOSYRXQIG-YPMHNXCESA-N 0 1 295.345 3.542 20 0 CHADMN CCc1nnc(CN2CCCC[C@H]2CC2CCC2)s1 ZINC000662154459 1120886504 /nfs/dbraw/zinc/88/65/04/1120886504.db2.gz AKJGAHBKOPYKAC-ZDUSSCGKSA-N 0 1 279.453 3.645 20 0 CHADMN Cc1cccc(CNc2ccc(F)c(-c3nc[nH]n3)c2)c1 ZINC000630059608 1128946995 /nfs/dbraw/zinc/94/69/95/1128946995.db2.gz YSAYKJBIVYUPAS-UHFFFAOYSA-N 0 1 282.322 3.531 20 0 CHADMN Cc1cccc(CNc2ccc(F)c(-c3nc[nH]n3)c2)c1C ZINC000630059286 1128947106 /nfs/dbraw/zinc/94/71/06/1128947106.db2.gz JCZUIZHRLQEKSD-UHFFFAOYSA-N 0 1 296.349 3.840 20 0 CHADMN CCc1ccc(CNc2ccc(F)c(-c3nc[nH]n3)c2)cc1 ZINC000630059406 1128947224 /nfs/dbraw/zinc/94/72/24/1128947224.db2.gz PNRMQFNPEPCPBW-UHFFFAOYSA-N 0 1 296.349 3.785 20 0 CHADMN CC(C)c1noc([C@@H](C)N(CCC2CC2)CC2CC2)n1 ZINC000662179644 1120892039 /nfs/dbraw/zinc/89/20/39/1120892039.db2.gz RSOQYFDDFKRSLE-GFCCVEGCSA-N 0 1 277.412 3.766 20 0 CHADMN Cc1c(Cl)cccc1-c1cccc([C@@H]2COCCN2)c1 ZINC000630061480 1128947399 /nfs/dbraw/zinc/94/73/99/1128947399.db2.gz XVBNRXNFJGTZLU-KRWDZBQOSA-N 0 1 287.790 3.976 20 0 CHADMN CC(C)n1cc(CN2CCC[C@@H](C3CCCCC3)C2)nn1 ZINC000662200308 1120897183 /nfs/dbraw/zinc/89/71/83/1120897183.db2.gz FLVAZQVWBFZEMG-MRXNPFEDSA-N 0 1 290.455 3.651 20 0 CHADMN CC(C)n1cc(CN2CCC[C@H](C3CCCCC3)C2)nn1 ZINC000662200307 1120897571 /nfs/dbraw/zinc/89/75/71/1120897571.db2.gz FLVAZQVWBFZEMG-INIZCTEOSA-N 0 1 290.455 3.651 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@]2(c3ccccc3)CC2(C)C)n1 ZINC000663251974 1120900104 /nfs/dbraw/zinc/90/01/04/1120900104.db2.gz ZYYIPHPZTVDJTK-RDTXWAMCSA-N 0 1 299.418 3.832 20 0 CHADMN CC(C)C[C@@H](N)c1noc(-c2cccc(C(C)C)c2)n1 ZINC000663251370 1120900237 /nfs/dbraw/zinc/90/02/37/1120900237.db2.gz PTMDJGKVJMHCDJ-CQSZACIVSA-N 0 1 273.380 3.906 20 0 CHADMN Fc1ccc(CNc2ccc3nn[nH]c3c2)c2ccccc12 ZINC000630063377 1128947889 /nfs/dbraw/zinc/94/78/89/1128947889.db2.gz BKCLCHCHPZHSJR-UHFFFAOYSA-N 0 1 292.317 3.862 20 0 CHADMN Fc1ccc(CNc2ccc3n[nH]nc3c2)c2ccccc12 ZINC000630063377 1128947890 /nfs/dbraw/zinc/94/78/90/1128947890.db2.gz BKCLCHCHPZHSJR-UHFFFAOYSA-N 0 1 292.317 3.862 20 0 CHADMN CC1(C)CCCC[C@H]1C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000662213696 1120902872 /nfs/dbraw/zinc/90/28/72/1120902872.db2.gz BPWKAVMOVXGWLE-LSDHHAIUSA-N 0 1 281.440 3.922 20 0 CHADMN CC(C)c1cccc(C[NH2+][C@H](C(=O)[O-])c2ccsc2)c1 ZINC000663259934 1120903163 /nfs/dbraw/zinc/90/31/63/1120903163.db2.gz JYQDFFUXFYLENV-HNNXBMFYSA-N 0 1 289.400 3.787 20 0 CHADMN C[N@@H+](CCSc1ccc(F)cc1)CC1=CCSC1 ZINC000662267060 1120913619 /nfs/dbraw/zinc/91/36/19/1120913619.db2.gz QQNRQXSZFGKUEV-UHFFFAOYSA-N 0 1 283.437 3.523 20 0 CHADMN CSc1cccc(C[N@@H+](C)CC2=CCSC2)c1 ZINC000662265490 1120913675 /nfs/dbraw/zinc/91/36/75/1120913675.db2.gz CNHXXDRZQDMTJS-UHFFFAOYSA-N 0 1 265.447 3.514 20 0 CHADMN CC[C@H](OCC[N@@H+](C)CC1=CCSC1)c1ccccc1 ZINC000662266793 1120913849 /nfs/dbraw/zinc/91/38/49/1120913849.db2.gz MLVCENJYZJFKGL-KRWDZBQOSA-N 0 1 291.460 3.759 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccoc1C(=O)[O-] ZINC000062015251 1120919988 /nfs/dbraw/zinc/91/99/88/1120919988.db2.gz ZTNKUCIWZATUCB-JTQLQIEISA-N 0 1 293.750 3.824 20 0 CHADMN CCC(CC)C[N@@H+](CC)Cc1ccc(C(=O)[O-])cc1F ZINC000062754418 1120925388 /nfs/dbraw/zinc/92/53/88/1120925388.db2.gz UFFXWKGYHFZAPG-UHFFFAOYSA-N 0 1 281.371 3.782 20 0 CHADMN CCOc1ccc(CN[C@@]2(c3ccccc3)CC2(C)C)nc1 ZINC000662343283 1120928033 /nfs/dbraw/zinc/92/80/33/1120928033.db2.gz INQZJAXKJFEBNW-LJQANCHMSA-N 0 1 296.414 3.895 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnc3cccc(C)n23)c(C)o1 ZINC000343898834 1120946126 /nfs/dbraw/zinc/94/61/26/1120946126.db2.gz NXCALFPAFQFCDQ-CYBMUJFWSA-N 0 1 283.375 3.703 20 0 CHADMN Cc1cscc1CNCc1cc(Cl)cc2c1OCC2 ZINC000228477885 1120950524 /nfs/dbraw/zinc/95/05/24/1120950524.db2.gz AZKBGDDMDQRFPN-UHFFFAOYSA-N 0 1 293.819 3.935 20 0 CHADMN CCN(C(=O)c1cc(C(C)C)[nH]n1)[C@H]1CCCC[C@H]1C ZINC000066674764 1120951277 /nfs/dbraw/zinc/95/12/77/1120951277.db2.gz CQJAVVYVGQIHNL-DOMZBBRYSA-N 0 1 277.412 3.574 20 0 CHADMN Clc1cc(CN[C@@H]2COC3(CCC3)C2)c(Cl)s1 ZINC000688285673 1128954006 /nfs/dbraw/zinc/95/40/06/1128954006.db2.gz ZKJBHRHJJMGHGE-VIFPVBQESA-N 0 1 292.231 3.856 20 0 CHADMN CC[C@@H](CC(F)(F)F)NCc1nc(C)c(C)s1 ZINC000893592358 1120957921 /nfs/dbraw/zinc/95/79/21/1120957921.db2.gz LKLQLJXDFCSHOC-VIFPVBQESA-N 0 1 266.332 3.581 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2cccc3cccnc32)no1 ZINC000027888818 1120960954 /nfs/dbraw/zinc/96/09/54/1120960954.db2.gz BJZLQADSRQCOIZ-QGZVFWFLSA-N 0 1 293.370 3.868 20 0 CHADMN C[C@H](N[C@H]1COC2(CCC2)C1)c1nc2ccccc2s1 ZINC000688296441 1128952802 /nfs/dbraw/zinc/95/28/02/1128952802.db2.gz MUOKNUWBQJKLGF-NWDGAFQWSA-N 0 1 288.416 3.659 20 0 CHADMN CC(C)(NCc1ccc(O)cc1)c1ccccc1F ZINC000644842076 1120971951 /nfs/dbraw/zinc/97/19/51/1120971951.db2.gz LKAKRKDWPCFSOP-UHFFFAOYSA-N 0 1 259.324 3.556 20 0 CHADMN CC(C)[C@@H]1C[N@H+]([C@@H](C)c2cc(F)ccc2F)CCCO1 ZINC000564785888 1120972537 /nfs/dbraw/zinc/97/25/37/1120972537.db2.gz COHLSLIBPXMRAC-LRDDRELGSA-N 0 1 283.362 3.773 20 0 CHADMN CC(C)[C@@H]1CN([C@@H](C)c2cc(F)ccc2F)CCCO1 ZINC000564785888 1120972539 /nfs/dbraw/zinc/97/25/39/1120972539.db2.gz COHLSLIBPXMRAC-LRDDRELGSA-N 0 1 283.362 3.773 20 0 CHADMN CC(C)CCOCCN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000093403173 1128953491 /nfs/dbraw/zinc/95/34/91/1128953491.db2.gz CALMVDMFPDUPNL-ZDUSSCGKSA-N 0 1 296.480 3.735 20 0 CHADMN CCn1nccc1CN[C@H](c1ccc(C)o1)C1CCCC1 ZINC000663471120 1120983858 /nfs/dbraw/zinc/98/38/58/1120983858.db2.gz RTQYJSWELIQYFA-KRWDZBQOSA-N 0 1 287.407 3.826 20 0 CHADMN CCn1nccc1CN[C@@H](C)c1cccc(CC(C)C)c1 ZINC000663470766 1120984506 /nfs/dbraw/zinc/98/45/06/1120984506.db2.gz RDESNSNSDQFKHT-HNNXBMFYSA-N 0 1 285.435 3.952 20 0 CHADMN CCC1CCC([N@@H+](C)Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000071265057 1120984999 /nfs/dbraw/zinc/98/49/99/1120984999.db2.gz SRBIXJBIOKNGSQ-UHFFFAOYSA-N 0 1 293.382 3.925 20 0 CHADMN COc1ccc(C)cc1[C@H](C)N[C@@H](c1ccccc1)[C@H](C)O ZINC000658359130 1120996133 /nfs/dbraw/zinc/99/61/33/1120996133.db2.gz AHAWHIZSHTYIAC-YZVOILCLSA-N 0 1 299.414 3.776 20 0 CHADMN CCCC[C@H](CC)CNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000512027717 1121016036 /nfs/dbraw/zinc/01/60/36/1121016036.db2.gz WEDBLFLPVMFKJE-NSHDSACASA-N 0 1 291.370 3.648 20 0 CHADMN CCc1nocc1CN(C)[C@H](CC)c1cccc(OC)c1 ZINC000660555780 1121021286 /nfs/dbraw/zinc/02/12/86/1121021286.db2.gz AZPMNZGXOHAVHR-QGZVFWFLSA-N 0 1 288.391 3.829 20 0 CHADMN CCOC(=O)c1ccc(CN[C@@H](C)c2cccc(C)c2)o1 ZINC000432366975 1121022712 /nfs/dbraw/zinc/02/27/12/1121022712.db2.gz DTOIQZWDVQWXAI-ZDUSSCGKSA-N 0 1 287.359 3.616 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN(C)[C@H](C)c1ccccc1 ZINC000007017911 1121023663 /nfs/dbraw/zinc/02/36/63/1121023663.db2.gz RTDNXDMFEZTKIW-MRXNPFEDSA-N 0 1 296.414 3.935 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CCCC[C@@H]1C ZINC000003538816 1121025828 /nfs/dbraw/zinc/02/58/28/1121025828.db2.gz MHBUVPSAAXMVNA-AWEZNQCLSA-N 0 1 274.408 3.623 20 0 CHADMN Cc1nc(CN2CC[C@H](C(C)(C)C)C[C@H]2C)c(C)o1 ZINC000660557911 1121029371 /nfs/dbraw/zinc/02/93/71/1121029371.db2.gz OHPGCVZEARZWNS-RISCZKNCSA-N 0 1 264.413 3.938 20 0 CHADMN CCC[C@@H]1CN([C@H](C)c2ccc3c(c2)CCC3)CCO1 ZINC001307588118 1121031974 /nfs/dbraw/zinc/03/19/74/1121031974.db2.gz CJEIWVLLUCFWDB-RDTXWAMCSA-N 0 1 273.420 3.737 20 0 CHADMN Cc1cccc2ncc(Nc3ccc4cc[nH]c4c3)n21 ZINC001174750605 1121037235 /nfs/dbraw/zinc/03/72/35/1121037235.db2.gz KMWPQIWLJVWRIS-UHFFFAOYSA-N 0 1 262.316 3.868 20 0 CHADMN C=Cc1ccc(Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001174815900 1121043477 /nfs/dbraw/zinc/04/34/77/1121043477.db2.gz RNZGPCIKRNYBDL-UHFFFAOYSA-N 0 1 293.414 3.825 20 0 CHADMN CCn1nc(C)c(CN2CCC[C@@H]2c2cccc(C)n2)c1C ZINC000093453335 1128958302 /nfs/dbraw/zinc/95/83/02/1128958302.db2.gz PVTMZUFPZBQUAR-GOSISDBHSA-N 0 1 298.434 3.560 20 0 CHADMN Fc1ccc([C@@H]2CCCN(Cc3ccccn3)C2)cc1F ZINC000625658605 1121051150 /nfs/dbraw/zinc/05/11/50/1121051150.db2.gz JJWPKTWKEKGROD-CQSZACIVSA-N 0 1 288.341 3.739 20 0 CHADMN C[C@H](c1nnc(-c2cccs2)o1)N1CC[C@H](C2CC2)C1 ZINC000344011081 1121052674 /nfs/dbraw/zinc/05/26/74/1121052674.db2.gz SAGUEOKHUZPAHS-PWSUYJOCSA-N 0 1 289.404 3.591 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN1C[C@@H](C)CC(C)(C)C1 ZINC000344031100 1121057329 /nfs/dbraw/zinc/05/73/29/1121057329.db2.gz PDXWOONWZSHAGS-ZDUSSCGKSA-N 0 1 288.435 3.610 20 0 CHADMN CC(C)c1nc([C@H](C)NCC2(C(F)F)CC2)cs1 ZINC000359007319 1121061667 /nfs/dbraw/zinc/06/16/67/1121061667.db2.gz ZQFNKQGXERZFLP-VIFPVBQESA-N 0 1 274.380 3.962 20 0 CHADMN Cc1cccnc1[C@@H](NCc1cncc(Cl)c1)C(C)C ZINC000621266968 1121063775 /nfs/dbraw/zinc/06/37/75/1121063775.db2.gz HSGCAHUKHMMLIR-HNNXBMFYSA-N 0 1 289.810 3.925 20 0 CHADMN Cc1nc(CN(C)C[C@@H]2CC=CCC2)c(C)s1 ZINC000344058604 1121069649 /nfs/dbraw/zinc/06/96/49/1121069649.db2.gz LEEULLLRCXFJGM-CYBMUJFWSA-N 0 1 250.411 3.548 20 0 CHADMN CC(C)c1nc(CN2CCC[C@H](C3CC3)C2)cs1 ZINC000344076957 1121074210 /nfs/dbraw/zinc/07/42/10/1121074210.db2.gz WIJKLABINICZNK-ZDUSSCGKSA-N 0 1 264.438 3.889 20 0 CHADMN CCC[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)CCO1 ZINC000093508659 1128960788 /nfs/dbraw/zinc/96/07/88/1128960788.db2.gz CFIKVVGKRIWERX-LJQANCHMSA-N 0 1 296.414 3.750 20 0 CHADMN Cc1ccc2nc(CNc3ccnc(C(C)(C)C)n3)[nH]c2c1 ZINC000674080499 1121078561 /nfs/dbraw/zinc/07/85/61/1121078561.db2.gz NMCXJBRNYWPPTB-UHFFFAOYSA-N 0 1 295.390 3.571 20 0 CHADMN Cc1cc(CCC(=O)Nc2ccccc2C(C)(C)C)n[nH]1 ZINC001174929049 1121079365 /nfs/dbraw/zinc/07/93/65/1121079365.db2.gz FIRYZRJBVKKCKH-UHFFFAOYSA-N 0 1 285.391 3.587 20 0 CHADMN CCOc1ccccc1CNCc1cccc(COC)c1 ZINC000038010496 1121093439 /nfs/dbraw/zinc/09/34/39/1121093439.db2.gz ZDLXPQGCKIKFRH-UHFFFAOYSA-N 0 1 285.387 3.522 20 0 CHADMN Fc1ccc2c(c1)C[C@@H](NCc1cscc1Cl)CO2 ZINC000674224470 1121100550 /nfs/dbraw/zinc/10/05/50/1121100550.db2.gz UVWNAOKHALNGAP-GFCCVEGCSA-N 0 1 297.782 3.634 20 0 CHADMN CC[C@@H](C)N(C)Cc1cscc1Br ZINC000336643151 1121108203 /nfs/dbraw/zinc/10/82/03/1121108203.db2.gz BCNKCXNLPMIZEM-MRVPVSSYSA-N 0 1 262.216 3.741 20 0 CHADMN CCN(C(=O)CN(C)[C@@H](C)c1ccccc1)c1ccccc1 ZINC000050275346 1121109545 /nfs/dbraw/zinc/10/95/45/1121109545.db2.gz BFWVDMXQJQKCAD-INIZCTEOSA-N 0 1 296.414 3.733 20 0 CHADMN Fc1cc(C2CC2)ccc1CN[C@@H]1CCCn2nccc21 ZINC000658018493 1121110617 /nfs/dbraw/zinc/11/06/17/1121110617.db2.gz REESIRYZOVXVRP-MRXNPFEDSA-N 0 1 285.366 3.524 20 0 CHADMN Cc1cc([C@H](C)NCC2(Sc3ccccc3)CC2)no1 ZINC000344196488 1121115703 /nfs/dbraw/zinc/11/57/03/1121115703.db2.gz RPVQWOORADXNBP-ZDUSSCGKSA-N 0 1 288.416 3.959 20 0 CHADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC2(CCC2)C1 ZINC000344213007 1121120441 /nfs/dbraw/zinc/12/04/41/1121120441.db2.gz GOYSBBMEKAICSJ-LBPRGKRZSA-N 0 1 292.810 3.543 20 0 CHADMN Cc1ccc(C)c(NC(=O)C[N@@H+]2CCCCC[C@H]2C)c1 ZINC000512149663 1121123876 /nfs/dbraw/zinc/12/38/76/1121123876.db2.gz VOSCNDIOMWYVKZ-OAHLLOKOSA-N 0 1 274.408 3.506 20 0 CHADMN CCOc1ccc(CN(Cc2ccccc2)C2CC2)nc1 ZINC000674388415 1121127600 /nfs/dbraw/zinc/12/76/00/1121127600.db2.gz RWSZTUGDZKVPOF-UHFFFAOYSA-N 0 1 282.387 3.645 20 0 CHADMN CC1(C)CN(C(=O)c2cc(C3CC3)[nH]n2)[C@@H]1c1ccccc1 ZINC000619056731 1128964195 /nfs/dbraw/zinc/96/41/95/1128964195.db2.gz RJRIGTIISIOQNA-MRXNPFEDSA-N 0 1 295.386 3.510 20 0 CHADMN Cc1ccc(C(=O)Nc2cccc(Cl)c2O)cc1F ZINC000172108989 1121139404 /nfs/dbraw/zinc/13/94/04/1121139404.db2.gz BONFPQZIMDDRIK-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN Cc1ccc(C(=O)[O-])cc1Nc1ccc2c[nH+]ccc2c1 ZINC001174981401 1121139830 /nfs/dbraw/zinc/13/98/30/1121139830.db2.gz CTSYNIFAXRSMQK-UHFFFAOYSA-N 0 1 278.311 3.985 20 0 CHADMN CC(C)c1nc(C(=O)Nc2cccc(Cl)c2O)cs1 ZINC000172112007 1121140066 /nfs/dbraw/zinc/14/00/66/1121140066.db2.gz YIVZFENOTJTENK-UHFFFAOYSA-N 0 1 296.779 3.878 20 0 CHADMN Cc1noc(C)c1[C@@H](C)NCc1ccc2cnccc2c1 ZINC000235194543 1121145329 /nfs/dbraw/zinc/14/53/29/1121145329.db2.gz JOSCYXMTLFWGTH-LLVKDONJSA-N 0 1 281.359 3.690 20 0 CHADMN Cc1nc(CNC2CC(c3ccccc3F)C2)cs1 ZINC000041010539 1121151103 /nfs/dbraw/zinc/15/11/03/1121151103.db2.gz ACUUZXWLEULYFZ-UHFFFAOYSA-N 0 1 276.380 3.626 20 0 CHADMN COCC(C)(C)N(C)Cc1ccc(Cl)cc1Cl ZINC000429232793 1121151710 /nfs/dbraw/zinc/15/17/10/1121151710.db2.gz KVQXBUGFAKTGIL-UHFFFAOYSA-N 0 1 276.207 3.850 20 0 CHADMN CCC(=O)CCN1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000753705643 1121152083 /nfs/dbraw/zinc/15/20/83/1121152083.db2.gz RIUBNGYSOFFGNV-LBPRGKRZSA-N 0 1 297.801 3.855 20 0 CHADMN Cc1ccc(-c2cc(CN3CCSC[C@H]3C)on2)cc1 ZINC000172591191 1121155601 /nfs/dbraw/zinc/15/56/01/1121155601.db2.gz KZKVXNREOWPWDX-CYBMUJFWSA-N 0 1 288.416 3.587 20 0 CHADMN CC1(CNCc2c(Cl)ccc(Cl)c2Cl)COC1 ZINC000096514014 1121159789 /nfs/dbraw/zinc/15/97/89/1121159789.db2.gz VAQAPZNPEFFKCG-UHFFFAOYSA-N 0 1 294.609 3.773 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCOC[C@H](C2CCC2)C1 ZINC000429237829 1121167497 /nfs/dbraw/zinc/16/74/97/1121167497.db2.gz PKCVIZQVUUGQQD-TZMCWYRMSA-N 0 1 295.373 3.774 20 0 CHADMN CC(C)CCCCN1CCC(C(=O)C(F)(F)F)CC1 ZINC000893684772 1121168039 /nfs/dbraw/zinc/16/80/39/1121168039.db2.gz RRYVHZDMPQUWJS-UHFFFAOYSA-N 0 1 279.346 3.656 20 0 CHADMN C[C@@H](c1cc(F)ccc1F)N1CCOC[C@H](C2CCC2)C1 ZINC000429237826 1121168046 /nfs/dbraw/zinc/16/80/46/1121168046.db2.gz PKCVIZQVUUGQQD-GXTWGEPZSA-N 0 1 295.373 3.774 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@H]2CCCC[C@@H]2CC)n1 ZINC000163264690 1121176725 /nfs/dbraw/zinc/17/67/25/1121176725.db2.gz QTAMGWKWVXJWMD-AGIUHOORSA-N 0 1 297.468 3.942 20 0 CHADMN Clc1ncccc1CN1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931923536 1121179279 /nfs/dbraw/zinc/17/92/79/1121179279.db2.gz UIXWVFYKXOUMBJ-DOTOQJQBSA-N 0 1 284.790 3.509 20 0 CHADMN CCOc1cccc(Nc2c(C)nc3ccc(F)cn32)c1 ZINC001175091972 1121180982 /nfs/dbraw/zinc/18/09/82/1121180982.db2.gz MUMIHVPEXVLUAU-UHFFFAOYSA-N 0 1 285.322 3.924 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1cccc2nsnc21 ZINC000766073941 1121183051 /nfs/dbraw/zinc/18/30/51/1121183051.db2.gz YFDGZQKMQNRPKP-LBPRGKRZSA-N 0 1 295.411 3.811 20 0 CHADMN Cc1ccc(-c2nc(CN3CC[C@@H]4C[C@@H]4C3)cs2)cc1 ZINC000661973046 1121185409 /nfs/dbraw/zinc/18/54/09/1121185409.db2.gz GHWGCMGYCBVFRO-HUUCEWRRSA-N 0 1 284.428 3.960 20 0 CHADMN Cc1ccc(CN[C@H](C)c2cc3ccccc3o2)cn1 ZINC000062050639 1121186098 /nfs/dbraw/zinc/18/60/98/1121186098.db2.gz XWNNPXZIVYVNDH-CYBMUJFWSA-N 0 1 266.344 3.987 20 0 CHADMN COCCN(Cc1nc(C(C)(C)C)cs1)C1CCCC1 ZINC000674860908 1121188727 /nfs/dbraw/zinc/18/87/27/1121188727.db2.gz VBHZOOPBYWQXJB-UHFFFAOYSA-N 0 1 296.480 3.832 20 0 CHADMN CCc1nocc1CN(Cc1ccc(F)cc1)CC1CC1 ZINC000351619366 1121190291 /nfs/dbraw/zinc/19/02/91/1121190291.db2.gz IDLIRNXVJSSKOE-UHFFFAOYSA-N 0 1 288.366 3.788 20 0 CHADMN CC[C@@H](CC1CCCC1)C(=O)N1CCN(CC)C[C@@H]1CC ZINC001128872946 1121193409 /nfs/dbraw/zinc/19/34/09/1121193409.db2.gz WLKNUFVKSOKWRR-IRXDYDNUSA-N 0 1 294.483 3.536 20 0 CHADMN CN(CCCOC(C)(C)C)Cc1ccccc1Cl ZINC000674901994 1121193439 /nfs/dbraw/zinc/19/34/39/1121193439.db2.gz NMZYURXXNUGWED-UHFFFAOYSA-N 0 1 269.816 3.977 20 0 CHADMN Clc1ccc2c(c1)CN(C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207631781 1121195396 /nfs/dbraw/zinc/19/53/96/1121195396.db2.gz KNJUBLJWUCHPBM-SCRDCRAPSA-N 0 1 259.780 3.868 20 0 CHADMN CC(C)(C)OCCCN1CCc2[nH]c3ccccc3c2C1 ZINC000674906012 1121195725 /nfs/dbraw/zinc/19/57/25/1121195725.db2.gz AXAZTPPUQCUPOP-UHFFFAOYSA-N 0 1 286.419 3.731 20 0 CHADMN Fc1ccc2oc(CN3CC[C@@H](c4ccco4)C3)nc2c1 ZINC000674908751 1121196128 /nfs/dbraw/zinc/19/61/28/1121196128.db2.gz TWSVBFPKLPQKCO-LLVKDONJSA-N 0 1 286.306 3.549 20 0 CHADMN Fc1cnccc1Nc1ccncc1Oc1ccccc1 ZINC001175196819 1121205010 /nfs/dbraw/zinc/20/50/10/1121205010.db2.gz JFPWJSTVFBOELF-UHFFFAOYSA-N 0 1 281.290 3.574 20 0 CHADMN CC(C)c1cc(C(=O)N(C)C2CCC(C(C)C)CC2)n[nH]1 ZINC000432567768 1121217254 /nfs/dbraw/zinc/21/72/54/1121217254.db2.gz QJXYATSLKNSRJL-UHFFFAOYSA-N 0 1 291.439 3.820 20 0 CHADMN CC[C@H]1C[C@H](CN2Cc3cccc(Cl)c3C2)CCO1 ZINC000809772433 1121225520 /nfs/dbraw/zinc/22/55/20/1121225520.db2.gz XRHZPTIKEXINKP-OCCSQVGLSA-N 0 1 279.811 3.861 20 0 CHADMN CC[C@]1(C)CCN(Cc2nc(-c3ccccc3C)no2)C1 ZINC000675185320 1121228942 /nfs/dbraw/zinc/22/89/42/1121228942.db2.gz CBVSSGMQBMBTRP-QGZVFWFLSA-N 0 1 285.391 3.667 20 0 CHADMN Cc1cccc2nc(C[N@H+]3CCC[C@H]3c3ccccc3)cn21 ZINC000051180493 1121233111 /nfs/dbraw/zinc/23/31/11/1121233111.db2.gz CRGQBLNJHCJZFQ-SFHVURJKSA-N 0 1 291.398 3.980 20 0 CHADMN Cc1cccc2nc(CN3CCC[C@H]3c3ccccc3)cn21 ZINC000051180493 1121233115 /nfs/dbraw/zinc/23/31/15/1121233115.db2.gz CRGQBLNJHCJZFQ-SFHVURJKSA-N 0 1 291.398 3.980 20 0 CHADMN Cc1cc(CNCc2cccc3c2OCC3)c(C)s1 ZINC000703127478 1121236146 /nfs/dbraw/zinc/23/61/46/1121236146.db2.gz IFWCHVJBZFRQAW-UHFFFAOYSA-N 0 1 273.401 3.590 20 0 CHADMN Cc1cscc1CNCc1cnn(Cc2ccccc2)c1 ZINC000094877246 1121236828 /nfs/dbraw/zinc/23/68/28/1121236828.db2.gz JKDGHFORPWAPNQ-UHFFFAOYSA-N 0 1 297.427 3.591 20 0 CHADMN COc1ccc2[nH]cc(CCNc3cc(C)ccn3)c2c1 ZINC000675287897 1121244016 /nfs/dbraw/zinc/24/40/16/1121244016.db2.gz RBFHYPKKOKOJBN-UHFFFAOYSA-N 0 1 281.359 3.535 20 0 CHADMN O=C(Nc1c(F)cc(Cl)cc1F)c1cc(C2CC2)no1 ZINC000335686507 1121251838 /nfs/dbraw/zinc/25/18/38/1121251838.db2.gz VDJNYHXMIWVXMG-UHFFFAOYSA-N 0 1 298.676 3.736 20 0 CHADMN C[C@H]1SCCN(Cc2ccccc2Cl)[C@@H]1C ZINC000112643955 1121258072 /nfs/dbraw/zinc/25/80/72/1121258072.db2.gz WRCPFMHSNUKWEP-GHMZBOCLSA-N 0 1 255.814 3.666 20 0 CHADMN FCC[C@@H]1CN(CCCCc2cccc(Cl)c2)CCO1 ZINC001175299993 1121262378 /nfs/dbraw/zinc/26/23/78/1121262378.db2.gz AJUWBUHETFZTFY-MRXNPFEDSA-N 0 1 299.817 3.723 20 0 CHADMN Oc1ccc(F)c(Nc2nc3ccc(F)cc3o2)c1F ZINC001175262046 1121265301 /nfs/dbraw/zinc/26/53/01/1121265301.db2.gz ZAHRABICMPLKQF-UHFFFAOYSA-N 0 1 280.205 3.694 20 0 CHADMN CCCc1cc(C(=O)N2CC(C)(C)[C@H]2c2ccccc2)n[nH]1 ZINC000619198396 1128974345 /nfs/dbraw/zinc/97/43/45/1128974345.db2.gz OCRHQNVRBLGFOP-MRXNPFEDSA-N 0 1 297.402 3.586 20 0 CHADMN Cc1ncc(CN(C)CCCC(=O)c2ccccc2)s1 ZINC000295572030 1121277465 /nfs/dbraw/zinc/27/74/65/1121277465.db2.gz RGNSEJZNEYPDNM-UHFFFAOYSA-N 0 1 288.416 3.546 20 0 CHADMN O=C([O-])c1cccc(Nc2ccc3c[nH+]ccc3c2)c1 ZINC001175331030 1121286594 /nfs/dbraw/zinc/28/65/94/1121286594.db2.gz RSTWVXNANAZZHH-UHFFFAOYSA-N 0 1 264.284 3.677 20 0 CHADMN C[N@@H+](CCC1CC1)Cc1nc2ccc(F)cc2s1 ZINC000432722848 1121295773 /nfs/dbraw/zinc/29/57/73/1121295773.db2.gz PKYASGDNMXLAFH-UHFFFAOYSA-N 0 1 264.369 3.667 20 0 CHADMN CN(CCC1CC1)Cc1nc2ccc(F)cc2s1 ZINC000432722848 1121295776 /nfs/dbraw/zinc/29/57/76/1121295776.db2.gz PKYASGDNMXLAFH-UHFFFAOYSA-N 0 1 264.369 3.667 20 0 CHADMN CC(C)[C@H](C)[N@@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000432736824 1121301935 /nfs/dbraw/zinc/30/19/35/1121301935.db2.gz GSSRXIHKRHUMJO-JTQLQIEISA-N 0 1 266.385 3.912 20 0 CHADMN C[C@@H]1CCCN(Cc2nc3ccc(F)cc3s2)C1 ZINC000432738501 1121302829 /nfs/dbraw/zinc/30/28/29/1121302829.db2.gz KGIAFTHWNSXWFA-SNVBAGLBSA-N 0 1 264.369 3.667 20 0 CHADMN Cc1ccccc1[C@H](C(C)C)N(C)Cc1cocn1 ZINC000432743128 1121310300 /nfs/dbraw/zinc/31/03/00/1121310300.db2.gz SVMRJHVHIDPEEB-INIZCTEOSA-N 0 1 258.365 3.812 20 0 CHADMN COc1cc(Nc2cc(C)nc3ccccc32)ccc1F ZINC001175393288 1121311213 /nfs/dbraw/zinc/31/12/13/1121311213.db2.gz MEAQRPKGRHYUBL-UHFFFAOYSA-N 0 1 282.318 3.856 20 0 CHADMN Cc1cc(C)c([C@@H](C)N[C@@H](C)c2nccn2C)cc1C ZINC000658335396 1121315061 /nfs/dbraw/zinc/31/50/61/1121315061.db2.gz VWTQTAKXYSMUMH-CABCVRRESA-N 0 1 271.408 3.757 20 0 CHADMN CCCC[C@H](CC)CCN1CCC[C@@H]1c1nncn1C ZINC000438096791 1121326676 /nfs/dbraw/zinc/32/66/76/1121326676.db2.gz KMZZLMNYTCBKNW-LSDHHAIUSA-N 0 1 278.444 3.559 20 0 CHADMN Cc1cc(Br)c(C)nc1NC(=N)C(C)(C)C ZINC001162664865 1121328705 /nfs/dbraw/zinc/32/87/05/1121328705.db2.gz SXGQSUVFDNZPRX-UHFFFAOYSA-N 0 1 284.201 3.896 20 0 CHADMN C[C@H](c1ccncc1)N1CCOC2(C1)CCCCCC2 ZINC000675642170 1121330474 /nfs/dbraw/zinc/33/04/74/1121330474.db2.gz YFZYFQONZVJYNT-OAHLLOKOSA-N 0 1 274.408 3.568 20 0 CHADMN Cc1nc2cc(Nc3ccc4c(c3)N(C)CC4)ccc2[nH]1 ZINC001213077190 1121330534 /nfs/dbraw/zinc/33/05/34/1121330534.db2.gz KNJAQQUBTWIXHK-UHFFFAOYSA-N 0 1 278.359 3.607 20 0 CHADMN Cc1cccc2ncc(Nc3ccc4n[nH]cc4c3C)n21 ZINC001175466098 1121330996 /nfs/dbraw/zinc/33/09/96/1121330996.db2.gz PEZQPMQXLRKUFX-UHFFFAOYSA-N 0 1 277.331 3.571 20 0 CHADMN COc1cc(Nc2ccc3[nH]c(C)nc3c2)cc(F)c1F ZINC001213077220 1121334267 /nfs/dbraw/zinc/33/42/67/1121334267.db2.gz MLJURLAUZNNWKB-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN CC(=O)Nc1cccc(CN[C@H]2CSc3ccccc32)c1 ZINC000675748075 1121352801 /nfs/dbraw/zinc/35/28/01/1121352801.db2.gz OZNCPFJPNOCACF-INIZCTEOSA-N 0 1 298.411 3.582 20 0 CHADMN CCc1nc(C)c([C@H](C)NCc2ccoc2C)s1 ZINC000675779924 1121356509 /nfs/dbraw/zinc/35/65/09/1121356509.db2.gz RPAFCBGHCQYXGL-VIFPVBQESA-N 0 1 264.394 3.766 20 0 CHADMN Cc1cc(Nc2c3cn[nH]c3ccc2C)n(C(C)C)n1 ZINC001175524987 1121362881 /nfs/dbraw/zinc/36/28/81/1121362881.db2.gz DYUJUDYUXFTEJH-UHFFFAOYSA-N 0 1 269.352 3.701 20 0 CHADMN Cc1cnc([C@H](C)N(C)C[C@@H]2CCc3ccccc32)o1 ZINC000662197438 1121362864 /nfs/dbraw/zinc/36/28/64/1121362864.db2.gz JPGGVRTZBQBAEW-ZFWWWQNUSA-N 0 1 270.376 3.706 20 0 CHADMN COc1cc(Cl)cnc1Nc1c2cn[nH]c2ccc1C ZINC001175523892 1121364205 /nfs/dbraw/zinc/36/42/05/1121364205.db2.gz PUGWQVONALRYPN-UHFFFAOYSA-N 0 1 288.738 3.672 20 0 CHADMN COc1nc(C)cc(C)c1CN[C@H]1CCCc2ccccc21 ZINC000675808902 1121365267 /nfs/dbraw/zinc/36/52/67/1121365267.db2.gz UYBYNKMNMBFPMI-SFHVURJKSA-N 0 1 296.414 3.874 20 0 CHADMN Cc1ccc(Nc2c3cn[nH]c3ccc2C)c(O)c1 ZINC001175525359 1121365625 /nfs/dbraw/zinc/36/56/25/1121365625.db2.gz CLBWXDHPAIKFQZ-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN CCC[C@H](N[C@H](C)c1cnc(C)nc1C)c1ccccn1 ZINC000675815369 1121365890 /nfs/dbraw/zinc/36/58/90/1121365890.db2.gz BGMDPZQDGNLQLE-DYVFJYSZSA-N 0 1 284.407 3.680 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccnc(C(C)(C)C)n1 ZINC001175525350 1121366184 /nfs/dbraw/zinc/36/61/84/1121366184.db2.gz CDYHHPBDRVKNCZ-UHFFFAOYSA-N 0 1 281.363 3.702 20 0 CHADMN COC(=O)c1cc(Nc2c3cn[nH]c3ccc2C)ccc1F ZINC001175526848 1121367816 /nfs/dbraw/zinc/36/78/16/1121367816.db2.gz XFKGQGKFNYWYJB-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccnc1N1CCCC1 ZINC001175526054 1121368504 /nfs/dbraw/zinc/36/85/04/1121368504.db2.gz SBKTTYWLGUAYDO-UHFFFAOYSA-N 0 1 293.374 3.610 20 0 CHADMN CCc1ncsc1Nc1c2cn[nH]c2ccc1C ZINC001175526673 1121368699 /nfs/dbraw/zinc/36/86/99/1121368699.db2.gz YXSQACWMLBUFNP-UHFFFAOYSA-N 0 1 258.350 3.634 20 0 CHADMN COc1ccc(F)cc1Nc1c2cn[nH]c2ccc1C ZINC001175526361 1121369066 /nfs/dbraw/zinc/36/90/66/1121369066.db2.gz MSGNZSFGRSDUHM-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1cc(CNCCCOc2ccc(Cl)cc2C)on1 ZINC000631050543 1128981163 /nfs/dbraw/zinc/98/11/63/1128981163.db2.gz IHFHUYHNNWEYQJ-UHFFFAOYSA-N 0 1 294.782 3.504 20 0 CHADMN C[C@@H](CF)NCc1cccc(OCc2ccccc2)c1 ZINC000644892133 1121372822 /nfs/dbraw/zinc/37/28/22/1121372822.db2.gz XZOGWBXSEZTFMY-AWEZNQCLSA-N 0 1 273.351 3.713 20 0 CHADMN CC[C@H](NCc1cc(C)n[nH]1)c1cc(Cl)ccc1OC ZINC000675891927 1121375548 /nfs/dbraw/zinc/37/55/48/1121375548.db2.gz GHLKZTMFQVPSCX-AWEZNQCLSA-N 0 1 293.798 3.621 20 0 CHADMN Cc1cc(C[C@H](C)N/C=C/c2ccc(Cl)cc2)on1 ZINC001175594035 1121376239 /nfs/dbraw/zinc/37/62/39/1121376239.db2.gz NHHSZVAICABXFI-AEZGRPFRSA-N 0 1 276.767 3.828 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1Cc1n[nH]c(C(C)(C)C)n1 ZINC000432816138 1121380310 /nfs/dbraw/zinc/38/03/10/1121380310.db2.gz NHHBNSWHEWCYQR-OAHLLOKOSA-N 0 1 298.434 3.748 20 0 CHADMN CCCCN(Cc1cnn(C)c1C)[C@@H](C)c1ccc(C)o1 ZINC000675887819 1121381432 /nfs/dbraw/zinc/38/14/32/1121381432.db2.gz QWFRPIHYAICDRD-HNNXBMFYSA-N 0 1 289.423 3.993 20 0 CHADMN C[C@H](N[C@H](Cc1nccn1C)c1ccccc1)c1ccco1 ZINC000675920310 1121382562 /nfs/dbraw/zinc/38/25/62/1121382562.db2.gz JZFIKXROHMYBPW-GOEBONIOSA-N 0 1 295.386 3.648 20 0 CHADMN Cc1cc(-c2noc(CN(C)CCC(C)C)n2)ccc1F ZINC000675884983 1121382637 /nfs/dbraw/zinc/38/26/37/1121382637.db2.gz BRXWUKSKUDDCQI-UHFFFAOYSA-N 0 1 291.370 3.662 20 0 CHADMN C[C@H](c1ccncc1)[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932198889 1121385600 /nfs/dbraw/zinc/38/56/00/1121385600.db2.gz LYZLDDVKJHERFJ-ZIAGYGMSSA-N 0 1 287.432 3.554 20 0 CHADMN Fc1ccc(CN[C@H]2CCc3c2cccc3Cl)nc1 ZINC000675938917 1121389272 /nfs/dbraw/zinc/38/92/72/1121389272.db2.gz OXILEXMXEJNLEL-HNNXBMFYSA-N 0 1 276.742 3.651 20 0 CHADMN Cc1c(C)c(C)c(CN(C)Cc2cn[nH]c2)c(C)c1C ZINC000675967331 1121393354 /nfs/dbraw/zinc/39/33/54/1121393354.db2.gz MIFPUVLDMPCUJS-UHFFFAOYSA-N 0 1 271.408 3.584 20 0 CHADMN Cc1nc([C@@H](C)NC[C@H]2COc3ccccc32)c(C)s1 ZINC000676145464 1121409176 /nfs/dbraw/zinc/40/91/76/1121409176.db2.gz IAMGOIHYIYKODY-MFKMUULPSA-N 0 1 288.416 3.587 20 0 CHADMN CSC[C@H](C)N[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000345051852 1121411455 /nfs/dbraw/zinc/41/14/55/1121411455.db2.gz AIWMGYCMILSGBW-BLLLJJGKSA-N 0 1 290.407 3.651 20 0 CHADMN C[C@@H]1CCC[C@H](N[C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000345051904 1121411604 /nfs/dbraw/zinc/41/16/04/1121411604.db2.gz AMGSKNBBMLENDH-UHOFOFEASA-N 0 1 287.382 3.807 20 0 CHADMN CCc1ccc(Nc2ccc3n[nH]c(C)c3c2)cn1 ZINC001175693568 1121414958 /nfs/dbraw/zinc/41/49/58/1121414958.db2.gz DFHVOGGTSUKSRO-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(-c4nnco4)cc3)cc12 ZINC001175699072 1121416533 /nfs/dbraw/zinc/41/65/33/1121416533.db2.gz HNTDUVWAKWABGW-UHFFFAOYSA-N 0 1 291.314 3.665 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(F)cc3F)cc12 ZINC001175699201 1121416950 /nfs/dbraw/zinc/41/69/50/1121416950.db2.gz MEAJSLONOASNKX-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN COC(=O)c1cccc(Nc2ccc3n[nH]c(C)c3c2)c1C ZINC001175700204 1121417727 /nfs/dbraw/zinc/41/77/27/1121417727.db2.gz WUUNNTMGLDDBST-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN CCC(=O)Nc1cccc(Nc2ccc3n[nH]c(C)c3c2)c1 ZINC001175699392 1121417984 /nfs/dbraw/zinc/41/79/84/1121417984.db2.gz PUPLUCGBTJBUFP-UHFFFAOYSA-N 0 1 294.358 3.963 20 0 CHADMN Cc1[nH]nc2ccc(Nc3c(Cl)cccc3CO)cc12 ZINC001175700657 1121418010 /nfs/dbraw/zinc/41/80/10/1121418010.db2.gz QRGQAXQPKVJBRY-UHFFFAOYSA-N 0 1 287.750 3.761 20 0 CHADMN Cc1[nH]nc2ccc(Nc3cccc4c3OCC4)cc21 ZINC001175699708 1121418074 /nfs/dbraw/zinc/41/80/74/1121418074.db2.gz BZFCDAXMEYVZQP-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN Cc1[nH]nc2cc(Nc3c[nH]c(=O)c4ccccc34)ccc12 ZINC001175656264 1121421984 /nfs/dbraw/zinc/42/19/84/1121421984.db2.gz CPMVYEPYHKWDTC-UHFFFAOYSA-N 0 1 290.326 3.869 20 0 CHADMN Cc1[nH]nc2cc(Nc3c(Cl)cnnc3Cl)ccc12 ZINC001175657035 1121422016 /nfs/dbraw/zinc/42/20/16/1121422016.db2.gz NRYZDXHZIHMGPV-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1[nH]nc2cc(Nc3ncc4ccccc4n3)ccc21 ZINC001175659227 1121423342 /nfs/dbraw/zinc/42/33/42/1121423342.db2.gz HMOVKLRXAWPYMH-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1ccc(NCc2[nH]nc3ccccc32)cc1F ZINC000676315468 1121423300 /nfs/dbraw/zinc/42/33/00/1121423300.db2.gz DPUJHKBSLRICPN-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN CCCc1cc(Nc2ccc3c(C)[nH]nc3c2)on1 ZINC001175659048 1121423546 /nfs/dbraw/zinc/42/35/46/1121423546.db2.gz DODXICPXYPWGTQ-UHFFFAOYSA-N 0 1 256.309 3.555 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc4c(c3)COC4)ccc21 ZINC001175661161 1121424222 /nfs/dbraw/zinc/42/42/22/1121424222.db2.gz BJEJXALMZMXLFD-UHFFFAOYSA-N 0 1 265.316 3.645 20 0 CHADMN COc1ccc(C)cc1Nc1ccc2c(c1)n[nH]c2C ZINC001175661571 1121424470 /nfs/dbraw/zinc/42/44/70/1121424470.db2.gz NGQWMBXYJSWPHB-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Cc1[nH]nc2cc(Nc3ncc(Cl)nc3Cl)ccc12 ZINC001175660302 1121424556 /nfs/dbraw/zinc/42/45/56/1121424556.db2.gz VVTLDKOFELQPHR-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4cnncc43)ccc21 ZINC001175662461 1121426198 /nfs/dbraw/zinc/42/61/98/1121426198.db2.gz NGPAJUHTOYHRBP-UHFFFAOYSA-N 0 1 275.315 3.558 20 0 CHADMN Cc1cc2cc(N)ccc2n1-c1ccc2c(C)[nH]nc2c1 ZINC001175662004 1121426204 /nfs/dbraw/zinc/42/62/04/1121426204.db2.gz YQWGGCIGIZMDQO-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN CC(=O)c1cc(Nc2ccc3c(C)[nH]nc3c2)cnc1C ZINC001175661824 1121426308 /nfs/dbraw/zinc/42/63/08/1121426308.db2.gz UMGCJSBMMOGFAF-UHFFFAOYSA-N 0 1 280.331 3.521 20 0 CHADMN COC(=O)c1ccc(Nc2ccc3c(C)[nH]nc3c2)cc1C ZINC001175661938 1121426435 /nfs/dbraw/zinc/42/64/35/1121426435.db2.gz XAUUMMZHGDCVQD-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1[nH]nc2cc(Nc3cccc4c3OCC4)ccc21 ZINC001175662590 1121426520 /nfs/dbraw/zinc/42/65/20/1121426520.db2.gz TZJCEVMCAPGYBC-UHFFFAOYSA-N 0 1 265.316 3.550 20 0 CHADMN Cc1[nH]nc2cc(Nc3c(F)cc(O)cc3F)ccc12 ZINC001175665365 1121427173 /nfs/dbraw/zinc/42/71/73/1121427173.db2.gz LEEWAZHGRFSHIE-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN CCN(CC)Cc1cc(OC(F)(F)F)ccc1F ZINC001143538839 1121427275 /nfs/dbraw/zinc/42/72/75/1121427275.db2.gz UJQXAJDMSCXDSG-UHFFFAOYSA-N 0 1 265.250 3.566 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(O)c(C)c3C)ccc12 ZINC001175662948 1121427296 /nfs/dbraw/zinc/42/72/96/1121427296.db2.gz LBNMHVDUQPZMDI-UHFFFAOYSA-N 0 1 267.332 3.937 20 0 CHADMN Cc1[nH]nc2cc(Nc3c(N)cc(F)cc3Cl)ccc12 ZINC001175665436 1121428143 /nfs/dbraw/zinc/42/81/43/1121428143.db2.gz OKHFHNLIYCXCIM-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN Cc1cn(-c2ccc3c(C)[nH]nc3c2)c2cccc(N)c12 ZINC001175666483 1121428287 /nfs/dbraw/zinc/42/82/87/1121428287.db2.gz WVXUESUVEGFRNL-UHFFFAOYSA-N 0 1 276.343 3.706 20 0 CHADMN COc1c(F)ccc(Nc2ccc3c(C)[nH]nc3c2)c1F ZINC001175663026 1121428305 /nfs/dbraw/zinc/42/83/05/1121428305.db2.gz OOSDARCFMFADMR-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN CC[C@H](N[C@H](C)c1nccnc1C)c1ccccc1 ZINC000219121666 1121430405 /nfs/dbraw/zinc/43/04/05/1121430405.db2.gz KOJCUJFGGFSNJL-HIFRSBDPSA-N 0 1 255.365 3.587 20 0 CHADMN Cl/C=C(\Cl)CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000763564454 1128984966 /nfs/dbraw/zinc/98/49/66/1128984966.db2.gz LDGWJHUQBVZZEJ-MHTFJADPSA-N 0 1 266.237 3.665 20 0 CHADMN CC1(C)CCN(Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143542085 1121434496 /nfs/dbraw/zinc/43/44/96/1121434496.db2.gz AVXAPDXJFWFCNV-UHFFFAOYSA-N 0 1 291.288 3.956 20 0 CHADMN Cc1noc2ncc(CN3CCC[C@@H]3c3cccs3)cc12 ZINC000893905308 1121437249 /nfs/dbraw/zinc/43/72/49/1121437249.db2.gz KVGXKNNMEAFYCV-CQSZACIVSA-N 0 1 299.399 3.930 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1ccnn1CC1CCC1 ZINC000631034620 1128980317 /nfs/dbraw/zinc/98/03/17/1128980317.db2.gz PDOMDVRRKBKNGI-CQSZACIVSA-N 0 1 299.418 3.543 20 0 CHADMN Cc1noc2ncc(CN3Cc4ccccc4[C@@H](C)C3)cc12 ZINC000893905818 1121437658 /nfs/dbraw/zinc/43/76/58/1121437658.db2.gz RMLFOLGBBFNTNT-LBPRGKRZSA-N 0 1 293.370 3.651 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2CCC1(C)C)c1cn(C)cn1 ZINC000925926540 1121443506 /nfs/dbraw/zinc/44/35/06/1121443506.db2.gz SSKNJHLDGNHMIZ-GUYCJALGSA-N 0 1 283.419 3.784 20 0 CHADMN CC(C)=CCCNCc1csc(C(F)(F)F)n1 ZINC000893982264 1121449661 /nfs/dbraw/zinc/44/96/61/1121449661.db2.gz TWBKRHSFJUGEAB-UHFFFAOYSA-N 0 1 264.316 3.608 20 0 CHADMN C[C@H](F)CCN(C)Cc1cc(Br)ccc1F ZINC000509276677 1121506542 /nfs/dbraw/zinc/50/65/42/1121506542.db2.gz LVORIRUIGCPVSM-VIFPVBQESA-N 0 1 292.167 3.768 20 0 CHADMN Cc1cc(CN[C@H](C)c2c(C)noc2C)cs1 ZINC000383503183 1128990172 /nfs/dbraw/zinc/99/01/72/1128990172.db2.gz ZITJXDISWGVOFD-SECBINFHSA-N 0 1 250.367 3.512 20 0 CHADMN Cc1ncsc1CN(C)C/C=C/c1cccc(F)c1 ZINC000893999712 1121454563 /nfs/dbraw/zinc/45/45/63/1121454563.db2.gz DBDFOXALFZGMHD-GQCTYLIASA-N 0 1 276.380 3.736 20 0 CHADMN CC1(C)CN(Cc2ccncc2)[C@@H]1c1ccccc1 ZINC000676703991 1121456821 /nfs/dbraw/zinc/45/68/21/1121456821.db2.gz FDVALHXRWDWSDX-MRXNPFEDSA-N 0 1 252.361 3.665 20 0 CHADMN CCN(CCC(F)(F)F)Cc1cccc(COC)c1 ZINC000676714509 1121458231 /nfs/dbraw/zinc/45/82/31/1121458231.db2.gz LBSQLWGFZATDQM-UHFFFAOYSA-N 0 1 275.314 3.607 20 0 CHADMN Cc1ncoc1CN(Cc1ccc(C)c(C)c1)C1CC1 ZINC000894044372 1121460126 /nfs/dbraw/zinc/46/01/26/1121460126.db2.gz JPEZLXYZCKXFEC-UHFFFAOYSA-N 0 1 270.376 3.764 20 0 CHADMN CCOc1ccc(CNC[C@@H](OCC)c2ccccc2)o1 ZINC000894067021 1121464645 /nfs/dbraw/zinc/46/46/45/1121464645.db2.gz GNANQACBXXTKHF-MRXNPFEDSA-N 0 1 289.375 3.546 20 0 CHADMN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ocnc2C)o1 ZINC000894086223 1121465888 /nfs/dbraw/zinc/46/58/88/1121465888.db2.gz ZLJWMADMXZPONH-FZMZJTMJSA-N 0 1 274.364 3.858 20 0 CHADMN C[C@@H](C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1)CC(C)(C)C ZINC000709275031 1121471044 /nfs/dbraw/zinc/47/10/44/1121471044.db2.gz COCLPVDQMXKERF-ZIAGYGMSSA-N 0 1 283.456 3.882 20 0 CHADMN c1cnc([C@H]2CCCCN2CC2CC3(CCC3)C2)nc1 ZINC001175843997 1121471518 /nfs/dbraw/zinc/47/15/18/1121471518.db2.gz BHOHGSZHTPHHHE-OAHLLOKOSA-N 0 1 271.408 3.584 20 0 CHADMN C[C@H](N[C@@H]1COC[C@@H]1C)c1cc(Cl)sc1Cl ZINC000711104212 1121476206 /nfs/dbraw/zinc/47/62/06/1121476206.db2.gz FUNOBPIUBQHJEG-ACLDMZEESA-N 0 1 280.220 3.740 20 0 CHADMN C[C@H]1CCSCCN1Cc1nc2ccc(F)cc2s1 ZINC000432922672 1121481641 /nfs/dbraw/zinc/48/16/41/1121481641.db2.gz AZVPQNRHGKNDNW-JTQLQIEISA-N 0 1 296.436 3.763 20 0 CHADMN CC(C)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000029380175 1121484747 /nfs/dbraw/zinc/48/47/47/1121484747.db2.gz ZFFGVTAAYJPZDB-UHFFFAOYSA-N 0 1 253.758 3.626 20 0 CHADMN Cc1cccc(NC[C@@H]2CCCN(c3ccccc3)C2)n1 ZINC000432929674 1121484837 /nfs/dbraw/zinc/48/48/37/1121484837.db2.gz RZSFJTMZYJVTKN-INIZCTEOSA-N 0 1 281.403 3.719 20 0 CHADMN Cc1[nH]nc(CNc2cccc(COC(C)(C)C)c2)c1C ZINC000922912955 1121486989 /nfs/dbraw/zinc/48/69/89/1121486989.db2.gz PEOYLHOYCGDGNO-UHFFFAOYSA-N 0 1 287.407 3.954 20 0 CHADMN CC1(C)[C@@H](c2cccc(Cl)c2)CCN1Cc1c[nH]cn1 ZINC001175873653 1121487764 /nfs/dbraw/zinc/48/77/64/1121487764.db2.gz OASFSOGXRNFOBA-OAHLLOKOSA-N 0 1 289.810 3.831 20 0 CHADMN CCc1noc(C)c1CNCc1csc(C)c1C ZINC000631143420 1128987976 /nfs/dbraw/zinc/98/79/76/1128987976.db2.gz RHEGMPFWNPHTMG-UHFFFAOYSA-N 0 1 264.394 3.514 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cc(C)c(N)c(C)c1 ZINC001175932987 1121500372 /nfs/dbraw/zinc/50/03/72/1121500372.db2.gz PUUHGMCCQJKFFB-UHFFFAOYSA-N 0 1 284.338 3.724 20 0 CHADMN C[C@@H]1CCCN1Cc1cc(-c2ccccc2Cl)on1 ZINC000419224130 1121502914 /nfs/dbraw/zinc/50/29/14/1121502914.db2.gz ZDGVTRZPTSQZGR-LLVKDONJSA-N 0 1 276.767 3.979 20 0 CHADMN CCc1onc(C)c1CNCc1ccc(Cl)cc1C ZINC000922984205 1121502954 /nfs/dbraw/zinc/50/29/54/1121502954.db2.gz WOLGKCRGJCMPSM-UHFFFAOYSA-N 0 1 278.783 3.797 20 0 CHADMN CCc1onc(C)c1CNCc1c(C)oc2ccccc21 ZINC000922983076 1121503389 /nfs/dbraw/zinc/50/33/89/1121503389.db2.gz IZUDCRGQPRKHJP-UHFFFAOYSA-N 0 1 284.359 3.890 20 0 CHADMN O[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(Cl)s1 ZINC000922988411 1121504763 /nfs/dbraw/zinc/50/47/63/1121504763.db2.gz PWAVDNROCFHNFW-HIFRSBDPSA-N 0 1 293.819 3.540 20 0 CHADMN CCC1(CC)[C@H](NCc2ncc(C(C)(C)C)o2)C[C@H]1OC ZINC000429290377 1121509984 /nfs/dbraw/zinc/50/99/84/1121509984.db2.gz ZNNOMJFECZLNRU-CHWSQXEVSA-N 0 1 294.439 3.655 20 0 CHADMN COC(=O)[C@H](c1ccccc1C)N(C)C[C@H](C)C(C)(C)C ZINC001175982472 1121512338 /nfs/dbraw/zinc/51/23/38/1121512338.db2.gz GNTWQUXEIFMBFK-HOCLYGCPSA-N 0 1 291.435 3.823 20 0 CHADMN C[C@@]1(NCc2cncc(Cl)c2)CCOc2ccccc21 ZINC000923023448 1121514144 /nfs/dbraw/zinc/51/41/44/1121514144.db2.gz AOTULRJJRINEGE-MRXNPFEDSA-N 0 1 288.778 3.523 20 0 CHADMN COc1ccc(C)cc1CN[C@@]1(C)CCOc2ccccc21 ZINC000923027122 1121515402 /nfs/dbraw/zinc/51/54/02/1121515402.db2.gz YNFMWWUNCJDPKN-IBGZPJMESA-N 0 1 297.398 3.791 20 0 CHADMN C[C@@]1(NCc2ccc(F)c(F)c2)CCOc2ccccc21 ZINC000923025779 1121515429 /nfs/dbraw/zinc/51/54/29/1121515429.db2.gz PKMUYRWRFASXNT-QGZVFWFLSA-N 0 1 289.325 3.752 20 0 CHADMN CC[C@@H](N[C@H](c1ccccc1)C(C)C)c1ccn(C)n1 ZINC000543607314 1121518517 /nfs/dbraw/zinc/51/85/17/1121518517.db2.gz YLTMIQGVQNTWHX-WBVHZDCISA-N 0 1 271.408 3.858 20 0 CHADMN Clc1nccc2cc(Nc3ccc4nn[nH]c4c3)ccc21 ZINC001176002191 1121518884 /nfs/dbraw/zinc/51/88/84/1121518884.db2.gz JRRJJZQGKXNNRY-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Clc1nccc2cc(Nc3ccc4n[nH]nc4c3)ccc21 ZINC001176002191 1121518887 /nfs/dbraw/zinc/51/88/87/1121518887.db2.gz JRRJJZQGKXNNRY-UHFFFAOYSA-N 0 1 295.733 3.903 20 0 CHADMN Oc1cc2ccccc2cc1Nc1ccc2nn[nH]c2c1 ZINC001176002302 1121519190 /nfs/dbraw/zinc/51/91/90/1121519190.db2.gz KORHKLVXZVUCAY-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN Oc1cc2ccccc2cc1Nc1ccc2n[nH]nc2c1 ZINC001176002302 1121519193 /nfs/dbraw/zinc/51/91/93/1121519193.db2.gz KORHKLVXZVUCAY-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN Cc1nc2cc(Nc3ccc4nn[nH]c4c3)ccc2s1 ZINC001176006070 1121520175 /nfs/dbraw/zinc/52/01/75/1121520175.db2.gz REKRQDPHJQLMAB-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN Cc1nc2cc(Nc3ccc4n[nH]nc4c3)ccc2s1 ZINC001176006070 1121520181 /nfs/dbraw/zinc/52/01/81/1121520181.db2.gz REKRQDPHJQLMAB-UHFFFAOYSA-N 0 1 281.344 3.620 20 0 CHADMN CCc1noc(C)c1CN(C)Cc1cc(C)ccc1C ZINC000429311835 1121521025 /nfs/dbraw/zinc/52/10/25/1121521025.db2.gz RRFOBKDKVKIKGZ-UHFFFAOYSA-N 0 1 272.392 3.794 20 0 CHADMN FC(F)(F)Cc1ccc(Nc2ccc3nn[nH]c3c2)cc1 ZINC001176005248 1121521103 /nfs/dbraw/zinc/52/11/03/1121521103.db2.gz VEUXBAOAVSFYMD-UHFFFAOYSA-N 0 1 292.264 3.806 20 0 CHADMN FC(F)(F)Cc1ccc(Nc2ccc3n[nH]nc3c2)cc1 ZINC001176005248 1121521107 /nfs/dbraw/zinc/52/11/07/1121521107.db2.gz VEUXBAOAVSFYMD-UHFFFAOYSA-N 0 1 292.264 3.806 20 0 CHADMN Fc1cccc(C(F)(F)F)c1Nc1ccc2nn[nH]c2c1 ZINC001176006041 1121521277 /nfs/dbraw/zinc/52/12/77/1121521277.db2.gz PRSBBUSEZLKKDF-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN Fc1cccc(C(F)(F)F)c1Nc1ccc2n[nH]nc2c1 ZINC001176006041 1121521282 /nfs/dbraw/zinc/52/12/82/1121521282.db2.gz PRSBBUSEZLKKDF-UHFFFAOYSA-N 0 1 296.227 3.859 20 0 CHADMN c1ccc(-c2ccncc2)c(Nc2ccc3nn[nH]c3c2)c1 ZINC001176005625 1121521970 /nfs/dbraw/zinc/52/19/70/1121521970.db2.gz WADXBKQJAACFGK-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN c1ccc(-c2ccncc2)c(Nc2ccc3n[nH]nc3c2)c1 ZINC001176005625 1121521977 /nfs/dbraw/zinc/52/19/77/1121521977.db2.gz WADXBKQJAACFGK-UHFFFAOYSA-N 0 1 287.326 3.764 20 0 CHADMN Cc1nc2cc(Nc3ccc4nn[nH]c4c3)c(C)cc2s1 ZINC001176003945 1121522265 /nfs/dbraw/zinc/52/22/65/1121522265.db2.gz XIBXQVXNBKLGND-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN Cc1nc2cc(Nc3ccc4n[nH]nc4c3)c(C)cc2s1 ZINC001176003945 1121522269 /nfs/dbraw/zinc/52/22/69/1121522269.db2.gz XIBXQVXNBKLGND-UHFFFAOYSA-N 0 1 295.371 3.928 20 0 CHADMN CC(C)Oc1ccc(F)cc1Nc1ccc2nn[nH]c2c1 ZINC001176005380 1121522301 /nfs/dbraw/zinc/52/23/01/1121522301.db2.gz SKOIAXMESXAHDO-UHFFFAOYSA-N 0 1 286.310 3.628 20 0 CHADMN CC(C)Oc1ccc(F)cc1Nc1ccc2n[nH]nc2c1 ZINC001176005380 1121522305 /nfs/dbraw/zinc/52/23/05/1121522305.db2.gz SKOIAXMESXAHDO-UHFFFAOYSA-N 0 1 286.310 3.628 20 0 CHADMN CC(C)(C)c1ccc(O)c(Nc2ccc3nn[nH]c3c2)c1 ZINC001176004423 1121522401 /nfs/dbraw/zinc/52/24/01/1121522401.db2.gz MQKGXLAGMPOKCJ-UHFFFAOYSA-N 0 1 282.347 3.705 20 0 CHADMN CC(C)(C)c1ccc(O)c(Nc2ccc3n[nH]nc3c2)c1 ZINC001176004423 1121522406 /nfs/dbraw/zinc/52/24/06/1121522406.db2.gz MQKGXLAGMPOKCJ-UHFFFAOYSA-N 0 1 282.347 3.705 20 0 CHADMN C[C@H]1CC2(CCC2)CN1Cc1cncc(Br)c1 ZINC000433027756 1121525765 /nfs/dbraw/zinc/52/57/65/1121525765.db2.gz WSSROEHPZOTCJV-NSHDSACASA-N 0 1 295.224 3.609 20 0 CHADMN CC(C)(C)OC(=O)C1CCC(NC(C)(C)C(F)F)CC1 ZINC000619432038 1128991322 /nfs/dbraw/zinc/99/13/22/1128991322.db2.gz DGRGKKSICZEKTB-UHFFFAOYSA-N 0 1 291.382 3.520 20 0 CHADMN O=c1cc(Nc2ccc(-c3ccccn3)cc2)nc(Cl)[nH]1 ZINC001176039863 1121528816 /nfs/dbraw/zinc/52/88/16/1121528816.db2.gz SWVMOMSFRWWNSM-UHFFFAOYSA-N 0 1 298.733 3.641 20 0 CHADMN CCCN(CCC)CN1c2cccc3cccc(c23)C1=O ZINC000074171544 1121540505 /nfs/dbraw/zinc/54/05/05/1121540505.db2.gz WFUJOKOMLMXODZ-UHFFFAOYSA-N 0 1 282.387 3.880 20 0 CHADMN CC(C)n1ccnc1CN1CCC[C@H](c2ccccc2)C1 ZINC000433053548 1121541344 /nfs/dbraw/zinc/54/13/44/1121541344.db2.gz PXBNSBQOUHHENR-KRWDZBQOSA-N 0 1 283.419 3.844 20 0 CHADMN c1nc(C2CC2)sc1CNCc1ccc2cccnc2c1 ZINC000631205804 1128992537 /nfs/dbraw/zinc/99/25/37/1128992537.db2.gz ANMGFGIMVYXHEO-UHFFFAOYSA-N 0 1 295.411 3.859 20 0 CHADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2F)C1 ZINC000433060623 1121543422 /nfs/dbraw/zinc/54/34/22/1121543422.db2.gz ZLQCTHJDFTZWRH-ONGXEEELSA-N 0 1 257.299 3.724 20 0 CHADMN COC(=O)c1sc(C(C)(C)C)cc1N=C1CCOCC1 ZINC001176141153 1121548372 /nfs/dbraw/zinc/54/83/72/1121548372.db2.gz UOIRPWJRIJBOEO-UHFFFAOYSA-N 0 1 295.404 3.548 20 0 CHADMN CCc1ccc([C@H]2CCN(Cc3nc(C(C)C)no3)C2)cc1 ZINC000433074161 1121550239 /nfs/dbraw/zinc/55/02/39/1121550239.db2.gz CWPXNXABZNAJNP-INIZCTEOSA-N 0 1 299.418 3.745 20 0 CHADMN COC(CN(Cc1ccccc1)Cc1ccc(C)cc1)OC ZINC001204168321 1121553958 /nfs/dbraw/zinc/55/39/58/1121553958.db2.gz NOTVKMUOLDCNAH-UHFFFAOYSA-N 0 1 299.414 3.616 20 0 CHADMN C[C@H]1CCCC[C@@H]1OCCNCc1cccc(O)c1Cl ZINC000645145931 1121567115 /nfs/dbraw/zinc/56/71/15/1121567115.db2.gz IHYDFJYDOASSGR-WFASDCNBSA-N 0 1 297.826 3.731 20 0 CHADMN COc1ccc(F)c(CN[C@H](C)c2sc(C)nc2C)c1 ZINC000645150394 1121569013 /nfs/dbraw/zinc/56/90/13/1121569013.db2.gz GMSJUKCAENEWDC-SECBINFHSA-N 0 1 294.395 3.758 20 0 CHADMN Cc1cnc(Cl)c(N=CCCc2ccccc2)n1 ZINC001176216650 1121575284 /nfs/dbraw/zinc/57/52/84/1121575284.db2.gz OXFNWJDIRNIZCR-WEVVVXLNSA-N 0 1 259.740 3.607 20 0 CHADMN C[C@H](c1ccc(F)c(Cl)c1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626012800 1121576471 /nfs/dbraw/zinc/57/64/71/1121576471.db2.gz HMKIZKZASUFNND-PVXIVEMSSA-N 0 1 297.801 3.635 20 0 CHADMN C[C@H](c1cccc(Cl)c1F)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626014938 1121576915 /nfs/dbraw/zinc/57/69/15/1121576915.db2.gz AGWWYTINDVPCOQ-BFQNTYOBSA-N 0 1 297.801 3.635 20 0 CHADMN CCC[C@H](C)CCC[N@H+]1CCC[C@](CC)(C(=O)[O-])C1 ZINC000923469505 1121577009 /nfs/dbraw/zinc/57/70/09/1121577009.db2.gz KPVBKRCELLOVBG-HOCLYGCPSA-N 0 1 269.429 3.780 20 0 CHADMN Cc1ccccc1-c1noc([C@@H](C)N2CCC[C@@H](C)C2)n1 ZINC000466729946 1121578383 /nfs/dbraw/zinc/57/83/83/1121578383.db2.gz CNDBWNQUVGAORA-TZMCWYRMSA-N 0 1 285.391 3.838 20 0 CHADMN COc1cccc2c1CN([C@H]1CCc3ccc(F)cc31)C2 ZINC000626021813 1121580956 /nfs/dbraw/zinc/58/09/56/1121580956.db2.gz RCTUGSHJXRKXBC-KRWDZBQOSA-N 0 1 283.346 3.837 20 0 CHADMN Cc1cc(NC(=O)c2ccc(Cl)c(O)c2)cc(O)c1C ZINC001176276350 1121586267 /nfs/dbraw/zinc/58/62/67/1121586267.db2.gz NQYIKXFLOPTVTD-UHFFFAOYSA-N 0 1 291.734 3.620 20 0 CHADMN CCCOc1cccc(F)c1-n1c(N)nc2ccccc21 ZINC001211783300 1121586639 /nfs/dbraw/zinc/58/66/39/1121586639.db2.gz GNEPXXKHFCKPLS-UHFFFAOYSA-N 0 1 285.322 3.536 20 0 CHADMN COc1cc2c(cc1CN[C@H](C)c1ccccc1C)OCO2 ZINC000631248522 1128995312 /nfs/dbraw/zinc/99/53/12/1128995312.db2.gz PNBKCZMGWXWCDR-CYBMUJFWSA-N 0 1 299.370 3.583 20 0 CHADMN CCCCOc1cccc(F)c1Nc1c(C)ncn1C ZINC001211792393 1121593600 /nfs/dbraw/zinc/59/36/00/1121593600.db2.gz BCQHLXBNZQJNCI-UHFFFAOYSA-N 0 1 277.343 3.790 20 0 CHADMN CCc1ccc(C2CCN([C@H](C)c3n[nH]c(C)n3)CC2)cc1 ZINC000626086595 1121597712 /nfs/dbraw/zinc/59/77/12/1121597712.db2.gz HWSGXPMVBRPKCO-CYBMUJFWSA-N 0 1 298.434 3.616 20 0 CHADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC000135042956 1121604098 /nfs/dbraw/zinc/60/40/98/1121604098.db2.gz WLLHMGHCTIPFON-OAHLLOKOSA-N 0 1 281.440 3.780 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H]2CCc3ccccc3NC2=O)c(C)o1 ZINC000318190425 1121604293 /nfs/dbraw/zinc/60/42/93/1121604293.db2.gz RULLWUKEANRXEH-SJKOYZFVSA-N 0 1 298.386 3.501 20 0 CHADMN Cc1cccc(C)c1NC(=O)CN(CCC(C)C)C1CC1 ZINC000074237987 1121604526 /nfs/dbraw/zinc/60/45/26/1121604526.db2.gz DGJROBXLVXWENN-UHFFFAOYSA-N 0 1 288.435 3.752 20 0 CHADMN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)c2ccoc2)c1 ZINC000094867725 1128997491 /nfs/dbraw/zinc/99/74/91/1128997491.db2.gz NFOKQXGGWAQSOS-NEPJUHHUSA-N 0 1 272.348 3.650 20 0 CHADMN Cc1cc(CNCc2scnc2C2CC2)ccc1F ZINC000486927965 1121616324 /nfs/dbraw/zinc/61/63/24/1121616324.db2.gz MUGVQIRKVPBYGS-UHFFFAOYSA-N 0 1 276.380 3.758 20 0 CHADMN CCn1cnc2c1CCN(CCC1C[C@@H](C)C[C@H](C)C1)C2 ZINC001176432048 1121619861 /nfs/dbraw/zinc/61/98/61/1121619861.db2.gz LZAYXKCFTJLIHL-GJZGRUSLSA-N 0 1 289.467 3.724 20 0 CHADMN C(CN1CCOC[C@H]1CC1CC1)SC1CCCCC1 ZINC001176401709 1121626151 /nfs/dbraw/zinc/62/61/51/1121626151.db2.gz HVVLPLYETBIMBX-OAHLLOKOSA-N 0 1 283.481 3.553 20 0 CHADMN C[C@@H](NCC1(C)CCC1)c1nc(Cc2ccccc2)no1 ZINC000267658397 1121628990 /nfs/dbraw/zinc/62/89/90/1121628990.db2.gz MXOMNRUDUKODJK-CYBMUJFWSA-N 0 1 285.391 3.501 20 0 CHADMN Cc1cc(N2CCCCCC2)ccc1N[C@@H]1CCO[C@@H]1C ZINC000512874688 1121630049 /nfs/dbraw/zinc/63/00/49/1121630049.db2.gz RPHZFURWFNZJND-CRAIPNDOSA-N 0 1 288.435 3.965 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2ccccc21)c1ccns1 ZINC000924880862 1121640614 /nfs/dbraw/zinc/64/06/14/1121640614.db2.gz DFFOLGLYGUSLLL-DGCLKSJQSA-N 0 1 274.389 3.708 20 0 CHADMN CSCCCN(C)Cc1ncc(-c2ccccc2C)o1 ZINC000619623979 1128999512 /nfs/dbraw/zinc/99/95/12/1128999512.db2.gz OLXYGKSFVZDPSY-UHFFFAOYSA-N 0 1 290.432 3.835 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1ccc(-c2cc[nH]n2)o1 ZINC000433320424 1121646036 /nfs/dbraw/zinc/64/60/36/1121646036.db2.gz UKLAWOJIBOWSGQ-MRXNPFEDSA-N 0 1 293.370 3.755 20 0 CHADMN COc1ccc([C@@H](C)NCc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000433308564 1121646131 /nfs/dbraw/zinc/64/61/31/1121646131.db2.gz ZANRVGNKQLVUQJ-GFCCVEGCSA-N 0 1 297.358 3.529 20 0 CHADMN Cc1cc([C@H]2CCCN2CCOc2cccc(C)c2)on1 ZINC000052009647 1121648736 /nfs/dbraw/zinc/64/87/36/1121648736.db2.gz DVUDBXICCAPDSR-MRXNPFEDSA-N 0 1 286.375 3.507 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000008142116 1121653301 /nfs/dbraw/zinc/65/33/01/1121653301.db2.gz JEIOHNXFAHVPQO-MRXNPFEDSA-N 0 1 296.414 3.762 20 0 CHADMN CSCCN[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000611524229 1121653863 /nfs/dbraw/zinc/65/38/63/1121653863.db2.gz JHHFNILXUBKEST-KRWDZBQOSA-N 0 1 298.411 3.870 20 0 CHADMN CCCn1ncc(CN2C3CCCC2CCC3)c1C ZINC001138642448 1129000599 /nfs/dbraw/zinc/00/05/99/1129000599.db2.gz YZBHPOUJLHTORS-UHFFFAOYSA-N 0 1 261.413 3.509 20 0 CHADMN CCS[C@H]1CC[C@H](N(C)Cc2ncc(C(C)C)o2)C1 ZINC000076067780 1129000893 /nfs/dbraw/zinc/00/08/93/1129000893.db2.gz GKUTXTFSZDYZFS-STQMWFEESA-N 0 1 282.453 3.904 20 0 CHADMN Cc1sc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c(C)c1C ZINC000419338046 1121668617 /nfs/dbraw/zinc/66/86/17/1121668617.db2.gz BSJJKNLNWFCTFG-OPQQBVKSSA-N 0 1 294.464 3.588 20 0 CHADMN c1ccc2cc(CN(Cc3cncnc3)C3CC3)ccc2c1 ZINC000271037336 1121668814 /nfs/dbraw/zinc/66/88/14/1121668814.db2.gz GTFQPGMJRGNPOJ-UHFFFAOYSA-N 0 1 289.382 3.794 20 0 CHADMN c1coc(C[N@H+](CC[C@H]2CCCO2)Cc2ccccc2)c1 ZINC000188684653 1121670633 /nfs/dbraw/zinc/67/06/33/1121670633.db2.gz GPSWIKQRGGCMKN-QGZVFWFLSA-N 0 1 285.387 3.851 20 0 CHADMN CC(=O)c1ccc(F)cc1Nc1c(F)cc(F)c(O)c1F ZINC001176670331 1121670950 /nfs/dbraw/zinc/67/09/50/1121670950.db2.gz DULRCPGXLVUSPP-UHFFFAOYSA-N 0 1 299.223 3.895 20 0 CHADMN Fc1ccc2c(c1)nccc2N1C[C@@H]2CCCC[C@@H]21 ZINC000664082490 1121672539 /nfs/dbraw/zinc/67/25/39/1121672539.db2.gz GBBVEEQJKALTQM-NHYWBVRUSA-N 0 1 256.324 3.753 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)N(CC(=O)Nc2ccccc2)C1 ZINC000513230895 1121674476 /nfs/dbraw/zinc/67/44/76/1121674476.db2.gz FTYZOEOJGOHCOP-YJBOKZPZSA-N 0 1 294.398 3.708 20 0 CHADMN Cn1cccc1[C@H]1CCCN1Cc1scnc1C1CC1 ZINC000495059604 1121674721 /nfs/dbraw/zinc/67/47/21/1121674721.db2.gz OFSFVUULXJUOFR-CQSZACIVSA-N 0 1 287.432 3.696 20 0 CHADMN CN(Cc1csc(-c2ccccc2)n1)CC1CC1 ZINC000052106468 1121679621 /nfs/dbraw/zinc/67/96/21/1121679621.db2.gz FZDSMEJDFMQCRU-UHFFFAOYSA-N 0 1 258.390 3.652 20 0 CHADMN CC/C=C\COC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000727044438 1121688754 /nfs/dbraw/zinc/68/87/54/1121688754.db2.gz WQELLWCWXKJLPI-YWEYNIOJSA-N 0 1 270.332 3.508 20 0 CHADMN Cc1ncoc1CN[C@@H](c1ccc(C)cc1)C1CC1 ZINC000894165104 1121689750 /nfs/dbraw/zinc/68/97/50/1121689750.db2.gz HYDVHGZHRJPSHF-INIZCTEOSA-N 0 1 256.349 3.532 20 0 CHADMN CC[C@@H](C)CN(C)Cc1ccnc(Cl)c1Cl ZINC000811456443 1121693902 /nfs/dbraw/zinc/69/39/02/1121693902.db2.gz OTURPDXXUBQNGQ-SECBINFHSA-N 0 1 261.196 3.866 20 0 CHADMN C[C@]1(C2CC2)COCCN1C/C=C/c1ccc(Cl)cc1 ZINC001176820422 1121695714 /nfs/dbraw/zinc/69/57/14/1121695714.db2.gz ZBSUGTJPARBQSE-RCAFFNEUSA-N 0 1 291.822 3.854 20 0 CHADMN C[C@@H]1CSCCCN1Cc1ccc(F)c(Cl)c1 ZINC001176827188 1121696251 /nfs/dbraw/zinc/69/62/51/1121696251.db2.gz CFWKNEKMOSQMPK-SNVBAGLBSA-N 0 1 273.804 3.807 20 0 CHADMN Fc1ccc(OC(F)F)c(CN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC001176874373 1121698623 /nfs/dbraw/zinc/69/86/23/1121698623.db2.gz KMEVAHAZKKOWNE-PHIMTYICSA-N 0 1 285.309 3.659 20 0 CHADMN C[C@H](Cc1cccnc1)NCc1nccc(Cl)c1Cl ZINC001176871081 1121698634 /nfs/dbraw/zinc/69/86/34/1121698634.db2.gz JDJCQMGNBYUBPU-SNVBAGLBSA-N 0 1 296.201 3.504 20 0 CHADMN CCc1nc(C)c(CN[C@@H](c2ccc(F)cc2)C2CC2)o1 ZINC000291804295 1121701881 /nfs/dbraw/zinc/70/18/81/1121701881.db2.gz CDQBPZREQKZIFD-QGZVFWFLSA-N 0 1 288.366 3.925 20 0 CHADMN C[C@H](C(=O)Nc1ccccc1Cl)N1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419369436 1121702000 /nfs/dbraw/zinc/70/20/00/1121702000.db2.gz HTLMBMXBAIGGQB-YVECIDJPSA-N 0 1 294.826 3.643 20 0 CHADMN Brc1ccc2c(c1)CN([C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167925872 1121702847 /nfs/dbraw/zinc/70/28/47/1121702847.db2.gz AUGFJWRKMIDTCQ-GNXNZQSNSA-N 0 1 278.193 3.563 20 0 CHADMN Cc1ccc(CNCc2cnc3ccccc3n2)c(C)c1 ZINC000614389159 1121702920 /nfs/dbraw/zinc/70/29/20/1121702920.db2.gz MLLIGPFSPLSOBO-UHFFFAOYSA-N 0 1 277.371 3.536 20 0 CHADMN CN(Cc1ccsc1Cl)C[C@]12CCC[C@H]1OCC2 ZINC001176990411 1121704719 /nfs/dbraw/zinc/70/47/19/1121704719.db2.gz INIKBABGUPUMAF-TZMCWYRMSA-N 0 1 285.840 3.793 20 0 CHADMN Cc1cccc(C)c1COc1ccccc1-c1nnc[nH]1 ZINC000165401131 1121705261 /nfs/dbraw/zinc/70/52/61/1121705261.db2.gz MBOXGTRHOJPAOR-UHFFFAOYSA-N 0 1 279.343 3.668 20 0 CHADMN Cc1ccc(CNCc2cccc3c2OC(F)(F)O3)cc1 ZINC001177066328 1121708505 /nfs/dbraw/zinc/70/85/05/1121708505.db2.gz SJYYMLYCQBKHIU-UHFFFAOYSA-N 0 1 291.297 3.606 20 0 CHADMN Cc1noc([C@@H](C)N2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000727439483 1121719506 /nfs/dbraw/zinc/71/95/06/1121719506.db2.gz MYMRYWRUTZHQCC-CZUORRHYSA-N 0 1 285.391 3.709 20 0 CHADMN COCCCCN(C)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000419381191 1121720230 /nfs/dbraw/zinc/72/02/30/1121720230.db2.gz HWSAGDILDPZPKP-UHFFFAOYSA-N 0 1 288.391 3.508 20 0 CHADMN CC1=C(C)CN(Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000894195180 1121729303 /nfs/dbraw/zinc/72/93/03/1121729303.db2.gz QCZLVYKZPVCTAZ-UHFFFAOYSA-N 0 1 290.354 3.790 20 0 CHADMN CCCCOCC[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667675 1121730574 /nfs/dbraw/zinc/73/05/74/1121730574.db2.gz OQZBRCGVMKDVNU-UHFFFAOYSA-N 0 1 294.826 3.641 20 0 CHADMN CCCCOCCN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667675 1121730582 /nfs/dbraw/zinc/73/05/82/1121730582.db2.gz OQZBRCGVMKDVNU-UHFFFAOYSA-N 0 1 294.826 3.641 20 0 CHADMN CC(=O)OCCCCSc1nc2ccc(Cl)cc2[nH]1 ZINC000727745184 1121735737 /nfs/dbraw/zinc/73/57/37/1121735737.db2.gz ONCYRHHLMZZNQG-UHFFFAOYSA-N 0 1 298.795 3.652 20 0 CHADMN CN(Cc1ccccc1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000057941467 1121741947 /nfs/dbraw/zinc/74/19/47/1121741947.db2.gz ULGUKGIKHQKVIQ-UHFFFAOYSA-N 0 1 289.762 3.701 20 0 CHADMN Cc1cc(C)c(CNc2cnn(-c3ccncc3)c2)cc1C ZINC001177646020 1121744511 /nfs/dbraw/zinc/74/45/11/1121744511.db2.gz FTOQYJMBVZBSNE-UHFFFAOYSA-N 0 1 292.386 3.805 20 0 CHADMN Cc1ccc2nc(-c3cnn(CC(F)(F)F)c3)[nH]c2c1C ZINC000535592942 1121745952 /nfs/dbraw/zinc/74/59/52/1121745952.db2.gz VPVBRKADJHZSEY-UHFFFAOYSA-N 0 1 294.280 3.606 20 0 CHADMN Cc1cc(C)c(CN[C@H](CO)c2cccc(F)c2)cc1C ZINC001177827847 1121748726 /nfs/dbraw/zinc/74/87/26/1121748726.db2.gz DICVUMJVVDHEJX-GOSISDBHSA-N 0 1 287.378 3.574 20 0 CHADMN Clc1cscc1CNC[C@@H]1OCCc2ccccc21 ZINC001177816312 1121749069 /nfs/dbraw/zinc/74/90/69/1121749069.db2.gz KEVXDYJEGFMMOV-HNNXBMFYSA-N 0 1 293.819 3.805 20 0 CHADMN Fc1ccc(F)c(CNCc2cc3ccncc3s2)c1 ZINC001177779952 1121749857 /nfs/dbraw/zinc/74/98/57/1121749857.db2.gz SBQAGEHHPLTOEX-UHFFFAOYSA-N 0 1 290.338 3.864 20 0 CHADMN Cc1cccc2nc(CNCc3cccc4ccoc43)cn21 ZINC001177811424 1121751857 /nfs/dbraw/zinc/75/18/57/1121751857.db2.gz XWMOTBLSHCJYRQ-UHFFFAOYSA-N 0 1 291.354 3.679 20 0 CHADMN O=C(/C=C\Sc1ccccc1)Nc1nc2ccccc2[nH]1 ZINC000727860559 1121752656 /nfs/dbraw/zinc/75/26/56/1121752656.db2.gz MADMWEGYDAZHOR-KHPPLWFESA-N 0 1 295.367 3.807 20 0 CHADMN COc1ccccc1/C=C/CN[C@@H](C)c1ncc(C)s1 ZINC001177955613 1121760729 /nfs/dbraw/zinc/76/07/29/1121760729.db2.gz OBXVGMKGNOWYOL-CFNZNRNTSA-N 0 1 288.416 3.824 20 0 CHADMN c1ccc2sc(CN(CC3CC3)C3CC3)nc2c1 ZINC000728056526 1121761388 /nfs/dbraw/zinc/76/13/88/1121761388.db2.gz FVPDDKGTVLHWIG-UHFFFAOYSA-N 0 1 258.390 3.671 20 0 CHADMN COc1cc(C)ccc1CNCc1ccc2scnc2c1 ZINC001178009829 1121762532 /nfs/dbraw/zinc/76/25/32/1121762532.db2.gz DUJCBKVKBKDWLQ-UHFFFAOYSA-N 0 1 298.411 3.903 20 0 CHADMN Cc1ccc(SC[C@H](C)N[C@@H](C)c2ncc[nH]2)cc1 ZINC000285977196 1121765827 /nfs/dbraw/zinc/76/58/27/1121765827.db2.gz GJRRWVXRLTUVGW-STQMWFEESA-N 0 1 275.421 3.550 20 0 CHADMN CCC[C@@H](NCc1ccc(C)nc1)c1cc(C)ccn1 ZINC000631569569 1129007811 /nfs/dbraw/zinc/00/78/11/1129007811.db2.gz KIWJCUQVMZEGKC-MRXNPFEDSA-N 0 1 269.392 3.724 20 0 CHADMN Cc1noc(C)c1[C@H](C)CNCc1ncc(C(C)C)s1 ZINC001178268210 1121774999 /nfs/dbraw/zinc/77/49/99/1121774999.db2.gz ZBEWXCNAMTXPMR-SNVBAGLBSA-N 0 1 293.436 3.765 20 0 CHADMN CCCC=CC(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 ZINC000729339370 1121777822 /nfs/dbraw/zinc/77/78/22/1121777822.db2.gz XCFJCULTFQXGGF-UXBLZVDNSA-N 0 1 283.375 3.988 20 0 CHADMN Cc1ncoc1CN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000894210476 1121780795 /nfs/dbraw/zinc/78/07/95/1121780795.db2.gz GVSUDIQBSIWLBV-OAHLLOKOSA-N 0 1 276.355 3.999 20 0 CHADMN CN(Cc1cnn(-c2ccccc2)c1)Cc1ccccc1 ZINC000052916756 1121783041 /nfs/dbraw/zinc/78/30/41/1121783041.db2.gz ZMRDYJVVVNOWOM-UHFFFAOYSA-N 0 1 277.371 3.504 20 0 CHADMN Fc1ccc(CN[C@@H]2CCCc3ncccc32)c(F)c1 ZINC000631578286 1129008856 /nfs/dbraw/zinc/00/88/56/1129008856.db2.gz ZZYZPQMZNMAWMT-MRXNPFEDSA-N 0 1 274.314 3.527 20 0 CHADMN CC1=CCC[C@@H](C)[C@@H]1CNc1ccc2c(n1)CCC2 ZINC001178743056 1121811641 /nfs/dbraw/zinc/81/16/41/1121811641.db2.gz ZTTSUKPKGVRUNZ-UKRRQHHQSA-N 0 1 256.393 3.975 20 0 CHADMN Cc1csc(CN(C)C[C@@H]2CCc3ccccc32)n1 ZINC000679535095 1121812386 /nfs/dbraw/zinc/81/23/86/1121812386.db2.gz VCOHUVAQDCQTPK-AWEZNQCLSA-N 0 1 272.417 3.613 20 0 CHADMN CCOc1cc(C)ccc1CN[C@H]1CCCc2ncccc21 ZINC000631591692 1129011060 /nfs/dbraw/zinc/01/10/60/1129011060.db2.gz XUMSLQDYIZCQGV-SFHVURJKSA-N 0 1 296.414 3.956 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@H]1CCCc3ncccc31)CCO2 ZINC000631593674 1129011496 /nfs/dbraw/zinc/01/14/96/1129011496.db2.gz LCLGJDNHHZWLAY-DLBZAZTESA-N 0 1 298.361 3.712 20 0 CHADMN CC[C@@](C)(NCc1nn(C)c2ccccc12)c1ccccc1 ZINC000730816843 1121830298 /nfs/dbraw/zinc/83/02/98/1121830298.db2.gz AHIZHOVCDILOQB-LJQANCHMSA-N 0 1 293.414 3.988 20 0 CHADMN c1nc2cc(CN[C@H]3COCc4ccccc43)ccc2s1 ZINC001178978373 1121830735 /nfs/dbraw/zinc/83/07/35/1121830735.db2.gz VYTAJJRKIMUUDD-INIZCTEOSA-N 0 1 296.395 3.657 20 0 CHADMN CCc1oc(C(=O)OC)cc1CN[C@H](C)c1ccsc1 ZINC000619783814 1129013413 /nfs/dbraw/zinc/01/34/13/1129013413.db2.gz ZPDBZALHSSPKGQ-SNVBAGLBSA-N 0 1 293.388 3.541 20 0 CHADMN Cc1ccc(-c2n[nH]c(SC[Si](C)(C)C)n2)cc1 ZINC000731155964 1121850623 /nfs/dbraw/zinc/85/06/23/1121850623.db2.gz CMFCKBIDDNNMIO-UHFFFAOYSA-N 0 1 277.469 3.750 20 0 CHADMN CCc1ccc(C)nc1NCc1cccc(OC)c1F ZINC001179139550 1121854876 /nfs/dbraw/zinc/85/48/76/1121854876.db2.gz JNNYKYMMKOAWKN-UHFFFAOYSA-N 0 1 274.339 3.712 20 0 CHADMN C[C@H](N[C@@H](CCO)c1ccccc1)c1cccc(F)c1F ZINC000345185308 1121856621 /nfs/dbraw/zinc/85/66/21/1121856621.db2.gz LKXGGBJVMHQOAM-LRDDRELGSA-N 0 1 291.341 3.739 20 0 CHADMN Cc1cc(C)cc(CNCc2ccc(-c3cc[nH]n3)o2)c1 ZINC001179222426 1121860001 /nfs/dbraw/zinc/86/00/01/1121860001.db2.gz HVRZAJJQINQGQQ-UHFFFAOYSA-N 0 1 281.359 3.576 20 0 CHADMN C[C@H](c1ccc(F)cc1F)N1CCC(n2cccn2)CC1 ZINC000731353813 1121864886 /nfs/dbraw/zinc/86/48/86/1121864886.db2.gz HRJGHDOWZUQLIZ-GFCCVEGCSA-N 0 1 291.345 3.559 20 0 CHADMN Fc1cc(CNCc2ccc(SC(F)F)cc2)ccn1 ZINC001179285997 1121867653 /nfs/dbraw/zinc/86/76/53/1121867653.db2.gz WATKBZOXXPKAOS-UHFFFAOYSA-N 0 1 298.333 3.825 20 0 CHADMN CCC[C@H]1CCCCN1Cc1cnc(Cl)c(OC)c1 ZINC001249927171 1121868026 /nfs/dbraw/zinc/86/80/26/1121868026.db2.gz VONRZGFDYXGPMN-ZDUSSCGKSA-N 0 1 282.815 3.898 20 0 CHADMN COc1nc2ccccc2cc1CN[C@@H]1CCCC[C@@H]1F ZINC001179304908 1121868264 /nfs/dbraw/zinc/86/82/64/1121868264.db2.gz XYFMWUOKXONCNK-GOEBONIOSA-N 0 1 288.366 3.614 20 0 CHADMN CCN(Cc1ccc(Cl)nc1)Cc1cccc(F)c1 ZINC000069219946 1121877079 /nfs/dbraw/zinc/87/70/79/1121877079.db2.gz GDMDOACOLBBXSP-UHFFFAOYSA-N 0 1 278.758 3.896 20 0 CHADMN C[C@H]1CC[C@@H](C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000345395573 1121879390 /nfs/dbraw/zinc/87/93/90/1121879390.db2.gz SORZFYFCGJAGOA-DTWKUNHWSA-N 0 1 293.317 3.875 20 0 CHADMN Cc1ccc(CNC/C=C\c2cccc(F)c2)c(Cl)n1 ZINC001179458716 1121881309 /nfs/dbraw/zinc/88/13/09/1121881309.db2.gz YGUIPUAECRVGGF-HYXAFXHYSA-N 0 1 290.769 3.986 20 0 CHADMN Clc1ccc2nc(NCc3ccc4c[nH]nc4c3)[nH]c2c1 ZINC001179515486 1121883968 /nfs/dbraw/zinc/88/39/68/1121883968.db2.gz AUFCWYGTSZSSKV-UHFFFAOYSA-N 0 1 297.749 3.705 20 0 CHADMN Cc1ccc(-c2cc(-c3nc(CCC(C)C)no3)[nH]n2)o1 ZINC000345465314 1121887242 /nfs/dbraw/zinc/88/72/42/1121887242.db2.gz UQXVJBPAMXCXNF-UHFFFAOYSA-N 0 1 286.335 3.617 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1cccc(SC)c1 ZINC000731864461 1121890188 /nfs/dbraw/zinc/89/01/88/1121890188.db2.gz WUVNDGOIWKKLMF-UHFFFAOYSA-N 0 1 294.464 3.859 20 0 CHADMN COc1ccc2c(c1)CC[C@H]2N[C@H]1COCc2ccccc21 ZINC000631640373 1129016653 /nfs/dbraw/zinc/01/66/53/1129016653.db2.gz APSFSACUIONDNN-MOPGFXCFSA-N 0 1 295.382 3.544 20 0 CHADMN COc1cc2c(cc1CNC(C)(C)/C=C\Cl)O[C@@H](C)C2 ZINC001179627131 1121897227 /nfs/dbraw/zinc/89/72/27/1121897227.db2.gz UROCJJNRESBCOD-GZTOBOFZSA-N 0 1 295.810 3.639 20 0 CHADMN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1[C@H]1C=CCCC1 ZINC000732208744 1121910772 /nfs/dbraw/zinc/91/07/72/1121910772.db2.gz DVJARXFRCBFHRB-FZCLSBEQSA-N 0 1 271.404 3.946 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@@H]2C[C@H]2C2CCCC2)c1Cl ZINC001179817956 1121911923 /nfs/dbraw/zinc/91/19/23/1121911923.db2.gz SVWGMUHDLUEVAF-KBPBESRZSA-N 0 1 279.811 3.962 20 0 CHADMN COc1cccc2cc([C@H](C)NCC(C)(C)F)oc21 ZINC000631657276 1129018379 /nfs/dbraw/zinc/01/83/79/1129018379.db2.gz ASQIYANBPWGNLB-JTQLQIEISA-N 0 1 265.328 3.840 20 0 CHADMN Cc1ccnc(CN2CCC[C@H](C)[C@@H]2C)c1Br ZINC001179858973 1121919567 /nfs/dbraw/zinc/91/95/67/1121919567.db2.gz JLJBXMIXSSBQPO-JQWIXIFHSA-N 0 1 297.240 3.773 20 0 CHADMN CCOC(=O)CN(C[C@H](C)CC1CCCCC1)C1CC1 ZINC001179862891 1121921008 /nfs/dbraw/zinc/92/10/08/1121921008.db2.gz FFPWNBSUIJRVKT-CQSZACIVSA-N 0 1 281.440 3.620 20 0 CHADMN Cc1ccc(-c2cc(-c3nc(C4CC4)no3)[nH]n2)cc1C ZINC000345857134 1121921856 /nfs/dbraw/zinc/92/18/56/1121921856.db2.gz VSDMCAUTWJNRPL-UHFFFAOYSA-N 0 1 280.331 3.621 20 0 CHADMN CCC[C@@H](C)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732542860 1121925048 /nfs/dbraw/zinc/92/50/48/1121925048.db2.gz VCGIHKVFDBDSAV-ZJUUUORDSA-N 0 1 293.798 3.830 20 0 CHADMN CC(C)=CC(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732522338 1121925105 /nfs/dbraw/zinc/92/51/05/1121925105.db2.gz ZNFPRMGVSGXWPH-SECBINFHSA-N 0 1 278.739 3.787 20 0 CHADMN C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1ncccc1F ZINC001179935568 1121927359 /nfs/dbraw/zinc/92/73/59/1121927359.db2.gz BFALGYLDUMGXMK-LBPRGKRZSA-N 0 1 292.785 3.937 20 0 CHADMN CN(CCC1CCCCC1)Cc1cn(C2CC2)cn1 ZINC001180094158 1121943578 /nfs/dbraw/zinc/94/35/78/1121943578.db2.gz ZHPAXKWGLBPSNY-UHFFFAOYSA-N 0 1 261.413 3.620 20 0 CHADMN COCCN(Cc1ccc(C)o1)Cc1csc(C)c1C ZINC001180064391 1121946654 /nfs/dbraw/zinc/94/66/54/1121946654.db2.gz HERKLIJJEXMAPT-UHFFFAOYSA-N 0 1 293.432 3.915 20 0 CHADMN CCC(CC)N(Cc1nn(C)cc1Cl)CC(C)C ZINC001180132825 1121949726 /nfs/dbraw/zinc/94/97/26/1121949726.db2.gz NEUVLCFLHCLTFB-UHFFFAOYSA-N 0 1 271.836 3.720 20 0 CHADMN CCC[C@@H](C)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000501137938 1121957900 /nfs/dbraw/zinc/95/79/00/1121957900.db2.gz DPHUPZNUAISMMS-DOMZBBRYSA-N 0 1 267.800 3.902 20 0 CHADMN CNc1ccccc1CN(Cc1ccccn1)C(C)C ZINC001180164810 1121960427 /nfs/dbraw/zinc/96/04/27/1121960427.db2.gz CAHCTLOAGUBQKD-UHFFFAOYSA-N 0 1 269.392 3.534 20 0 CHADMN CCC[C@H]1CN(Cc2ccc3c(c2)CCCC3)CCO1 ZINC001180203417 1121961747 /nfs/dbraw/zinc/96/17/47/1121961747.db2.gz RJNRVSQWGLIIRG-SFHVURJKSA-N 0 1 273.420 3.566 20 0 CHADMN CCS[C@@H]1CCCCN(Cc2ncc(C(C)C)o2)C1 ZINC000733309980 1121974893 /nfs/dbraw/zinc/97/48/93/1121974893.db2.gz DZUOFXCBVNYMAQ-CYBMUJFWSA-N 0 1 282.453 3.906 20 0 CHADMN CO[C@H](CN[C@@H](C)c1ccccc1Cl)C(F)(F)F ZINC000733323553 1121975984 /nfs/dbraw/zinc/97/59/84/1121975984.db2.gz KHNFSZJVYQHLCL-GZMMTYOYSA-N 0 1 281.705 3.568 20 0 CHADMN CC(C)(C)OC(=O)c1ccc(CN2CC[C@@](C)(F)C2)cc1 ZINC000501418061 1121976488 /nfs/dbraw/zinc/97/64/88/1121976488.db2.gz LXJRVCMHNWTNQU-QGZVFWFLSA-N 0 1 293.382 3.576 20 0 CHADMN Cc1cc(C)c(CNCc2cccc3c2OCCO3)cc1C ZINC000733331251 1121978219 /nfs/dbraw/zinc/97/82/19/1121978219.db2.gz BDMOWTLHKTZNLR-UHFFFAOYSA-N 0 1 297.398 3.673 20 0 CHADMN C[C@@]1(F)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000501423524 1121978558 /nfs/dbraw/zinc/97/85/58/1121978558.db2.gz FYBCDRKWPZMZCC-GFCCVEGCSA-N 0 1 261.262 3.639 20 0 CHADMN C[C@@]1(F)CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000501423524 1121978565 /nfs/dbraw/zinc/97/85/65/1121978565.db2.gz FYBCDRKWPZMZCC-GFCCVEGCSA-N 0 1 261.262 3.639 20 0 CHADMN Cc1ccc(CN[C@@H]2C[C@H](C(C)C)c3ccccc32)nn1 ZINC000414442056 1121985612 /nfs/dbraw/zinc/98/56/12/1121985612.db2.gz GGGKOKZWHBGMPY-QZTJIDSGSA-N 0 1 281.403 3.759 20 0 CHADMN CCOc1ccc2nc(SCC(F)(F)F)[nH]c2c1 ZINC000501578541 1121989629 /nfs/dbraw/zinc/98/96/29/1121989629.db2.gz HCOAXOBKNNLQPC-UHFFFAOYSA-N 0 1 276.283 3.616 20 0 CHADMN CC[C@H]1C[C@]1(NCc1ccc(C)nn1)c1cccc(C)c1 ZINC000414448272 1121993716 /nfs/dbraw/zinc/99/37/16/1121993716.db2.gz MUMFIHAMUQSJBM-MAUKXSAKSA-N 0 1 281.403 3.508 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(C)c(OC)n2)cc1 ZINC001180497413 1121996806 /nfs/dbraw/zinc/99/68/06/1121996806.db2.gz JMSWQIQPZVLKBP-UHFFFAOYSA-N 0 1 284.403 3.593 20 0 CHADMN CCC[C@@H](CN(Cc1ccc(F)cc1F)C1CC1)OC ZINC001180558863 1121998413 /nfs/dbraw/zinc/99/84/13/1121998413.db2.gz XUUSAGQRWQHXQG-HNNXBMFYSA-N 0 1 283.362 3.744 20 0 CHADMN C[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2)[C@@H](C)CO1 ZINC000501759586 1122006464 /nfs/dbraw/zinc/00/64/64/1122006464.db2.gz YXXXHXBPZCLDNP-UONOGXRCSA-N 0 1 261.409 3.593 20 0 CHADMN CCn1c2cccc(F)c2nc1C[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000501783822 1122007725 /nfs/dbraw/zinc/00/77/25/1122007725.db2.gz AIVGDZOYSIVICF-QWHCGFSZSA-N 0 1 289.398 3.673 20 0 CHADMN CCn1c2cccc(F)c2nc1CN1CC[C@H](C)[C@H](C)C1 ZINC000501783822 1122007734 /nfs/dbraw/zinc/00/77/34/1122007734.db2.gz AIVGDZOYSIVICF-QWHCGFSZSA-N 0 1 289.398 3.673 20 0 CHADMN Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C)C2)c(C)c1 ZINC000501784464 1122008705 /nfs/dbraw/zinc/00/87/05/1122008705.db2.gz GNGGJOUPABXFHH-KBMXLJTQSA-N 0 1 288.435 3.608 20 0 CHADMN CC(C)(C)c1nc(CN[C@@H]2C=CCCC2)cs1 ZINC000151182293 1122009834 /nfs/dbraw/zinc/00/98/34/1122009834.db2.gz ZPKGSQBOMPCXLM-LLVKDONJSA-N 0 1 250.411 3.639 20 0 CHADMN Fc1ccc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc1Cl ZINC001204280837 1122017494 /nfs/dbraw/zinc/01/74/94/1122017494.db2.gz PNAVBHMTPCHBSL-PHIMTYICSA-N 0 1 289.728 3.956 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1cccc2c1CCOC2 ZINC000631730015 1129025637 /nfs/dbraw/zinc/02/56/37/1129025637.db2.gz UXMCIQULOAYGOU-CQSZACIVSA-N 0 1 296.414 3.568 20 0 CHADMN CC(C)(C)c1cnc(CN(C2CC2)C2CCCC2)o1 ZINC000057619745 1122031083 /nfs/dbraw/zinc/03/10/83/1122031083.db2.gz XYUPGCKSWIHREY-UHFFFAOYSA-N 0 1 262.397 3.879 20 0 CHADMN FC[C@H]1CN(Cc2ccc(-c3ccccc3)o2)CCCO1 ZINC000414473207 1122037152 /nfs/dbraw/zinc/03/71/52/1122037152.db2.gz AFYGQVMWSKRKBF-INIZCTEOSA-N 0 1 289.350 3.507 20 0 CHADMN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc2ccccc2n1 ZINC000631754590 1129027451 /nfs/dbraw/zinc/02/74/51/1129027451.db2.gz MANLFEMVTOVGKE-DRCTWCGVSA-N 0 1 280.293 3.836 20 0 CHADMN Cc1c([C@@H](C)N[C@@H]2C[C@H]2C(F)(F)F)cnn1C(C)(C)C ZINC000631753304 1129027594 /nfs/dbraw/zinc/02/75/94/1129027594.db2.gz JLORAYOFRPEGJA-GGZOMVNGSA-N 0 1 289.345 3.548 20 0 CHADMN FC(F)(F)[C@@H]1C[C@H]1N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000631754400 1129027648 /nfs/dbraw/zinc/02/76/48/1129027648.db2.gz HBRUSBZGGWATPP-UPJWGTAASA-N 0 1 297.320 3.973 20 0 CHADMN C[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C[C@@H](C)C1 ZINC000502207736 1122052481 /nfs/dbraw/zinc/05/24/81/1122052481.db2.gz ZUNVOCSRATYWSJ-KGLIPLIRSA-N 0 1 297.402 3.585 20 0 CHADMN CC(C)[C@@H](C)C(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001181494239 1122058309 /nfs/dbraw/zinc/05/83/09/1122058309.db2.gz QRLISEDMBRESHS-SSDOTTSWSA-N 0 1 276.163 3.930 20 0 CHADMN CC1(C)[C@@H](c2ccccc2)CCN1Cc1nc(C2CC2)no1 ZINC000421022499 1122065274 /nfs/dbraw/zinc/06/52/74/1122065274.db2.gz QJHAPWOHNQBWAS-OAHLLOKOSA-N 0 1 297.402 3.715 20 0 CHADMN Cc1cc(F)cc(CC(=O)Nc2nc3cccc(C)c3[nH]2)c1 ZINC001181641911 1122065632 /nfs/dbraw/zinc/06/56/32/1122065632.db2.gz IHBRTOHXZOGUSG-UHFFFAOYSA-N 0 1 297.333 3.500 20 0 CHADMN CCCCC[C@H](N[C@H](C)c1cnnn1C)c1ccccc1 ZINC000924929388 1122066303 /nfs/dbraw/zinc/06/63/03/1122066303.db2.gz FWOFNBLQFOSXRX-ZBFHGGJFSA-N 0 1 286.423 3.787 20 0 CHADMN Clc1ccc([C@@H]2CC[C@H](NCc3csnn3)C2)cc1 ZINC000414499141 1122072732 /nfs/dbraw/zinc/07/27/32/1122072732.db2.gz JOLQJMUSROLPFM-YPMHNXCESA-N 0 1 293.823 3.617 20 0 CHADMN CC[C@@H](CC(C)C)C(=O)Nc1nc2ccc(OC)cc2[nH]1 ZINC001181804260 1122080084 /nfs/dbraw/zinc/08/00/84/1122080084.db2.gz BZQUWCDWUCXWBF-NSHDSACASA-N 0 1 289.379 3.582 20 0 CHADMN Cc1ccc([C@@H](C)CN2CC(C(F)(F)F)C2)cc1 ZINC001181860833 1122087502 /nfs/dbraw/zinc/08/75/02/1122087502.db2.gz OMXGDISSHCKYCY-NSHDSACASA-N 0 1 257.299 3.593 20 0 CHADMN CC1(C)Cc2occc2[C@@H](N[C@@H]2CCCn3nccc32)C1 ZINC000631808519 1129030736 /nfs/dbraw/zinc/03/07/36/1129030736.db2.gz FIKFIPBWJVOAPH-KGLIPLIRSA-N 0 1 285.391 3.614 20 0 CHADMN COc1cc(C[N@@H+](C)Cc2cccc(C3CC3)c2)ccc1O ZINC000421327531 1122094691 /nfs/dbraw/zinc/09/46/91/1122094691.db2.gz JHGCSULLUHTDGZ-UHFFFAOYSA-N 0 1 297.398 3.910 20 0 CHADMN COc1ccnc(NCc2cccc(C3CC3)c2)c1 ZINC000421342876 1122096557 /nfs/dbraw/zinc/09/65/57/1122096557.db2.gz PBJUJUKDHVVUTC-UHFFFAOYSA-N 0 1 254.333 3.580 20 0 CHADMN C[C@H](NCc1cccc(C2CC2)c1)c1ccncc1F ZINC000421355251 1122099186 /nfs/dbraw/zinc/09/91/86/1122099186.db2.gz IZAJKNXAZZKWFI-LBPRGKRZSA-N 0 1 270.351 3.949 20 0 CHADMN Cc1c(Cl)c(CNC[C@H](C)c2cccc(C)c2)nn1C ZINC000421360561 1122101195 /nfs/dbraw/zinc/10/11/95/1122101195.db2.gz FCCQEEWHQHGRIY-LBPRGKRZSA-N 0 1 291.826 3.584 20 0 CHADMN CC[C@H](N[C@H]1CCCn2nccc21)c1ccccc1F ZINC000631810631 1129031377 /nfs/dbraw/zinc/03/13/77/1129031377.db2.gz XCONXZOAVUTVIC-GJZGRUSLSA-N 0 1 273.355 3.598 20 0 CHADMN CCOC(=O)[C@@H]1C2CCC(CC2)N1CCCCC(C)C ZINC001181970239 1122103628 /nfs/dbraw/zinc/10/36/28/1122103628.db2.gz BKKQVRLASKVWKM-GPANFISMSA-N 0 1 281.440 3.619 20 0 CHADMN c1ccc2c(c1)COC[C@@H]2NCc1cccc(C2CC2)c1 ZINC000421386125 1122107931 /nfs/dbraw/zinc/10/79/31/1122107931.db2.gz RHRZVJMLVROWNH-IBGZPJMESA-N 0 1 279.383 3.925 20 0 CHADMN COc1cc(CN2CC(C)(C)[C@@H]2C2CC2)ccc1Cl ZINC001182184616 1122117417 /nfs/dbraw/zinc/11/74/17/1122117417.db2.gz PZHFSZFDCNGQFG-HNNXBMFYSA-N 0 1 279.811 3.969 20 0 CHADMN Cc1ccc(CN2CC(Cc3ccc(Cl)cc3)C2)cn1 ZINC001182215619 1122121856 /nfs/dbraw/zinc/12/18/56/1122121856.db2.gz GJEMEIMMIMLLIY-UHFFFAOYSA-N 0 1 286.806 3.718 20 0 CHADMN CCN(C)c1ccccc1CN[C@H]1CCCc2occc21 ZINC000774174976 1122137974 /nfs/dbraw/zinc/13/79/74/1122137974.db2.gz XGWMDNRBAHQMPG-INIZCTEOSA-N 0 1 284.403 3.903 20 0 CHADMN C[C@H](NCc1cccnc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774368323 1122157991 /nfs/dbraw/zinc/15/79/91/1122157991.db2.gz UJCAVTNJHWTKTA-VIFPVBQESA-N 0 1 296.201 3.821 20 0 CHADMN COc1c(F)cc(F)cc1CN1CCCCC[C@H]1C ZINC001143557790 1122167538 /nfs/dbraw/zinc/16/75/38/1122167538.db2.gz OYWBUGBCCXNDSW-LLVKDONJSA-N 0 1 269.335 3.738 20 0 CHADMN COCc1ccc(CN2CCc3cc(F)cc(C)c3C2)cc1 ZINC000503094236 1122167679 /nfs/dbraw/zinc/16/76/79/1122167679.db2.gz AXMHYOGDQMTNRS-UHFFFAOYSA-N 0 1 299.389 3.839 20 0 CHADMN Cc1ccccc1[C@@H](NCc1ccno1)C(C)(C)C ZINC000271712687 1122171326 /nfs/dbraw/zinc/17/13/26/1122171326.db2.gz JXUDBESBACSVQE-OAHLLOKOSA-N 0 1 258.365 3.860 20 0 CHADMN CC(C)(C)c1ccc(CNCc2ccns2)cc1 ZINC000404401627 1122172496 /nfs/dbraw/zinc/17/24/96/1122172496.db2.gz WFXRBOKEBOAROQ-UHFFFAOYSA-N 0 1 260.406 3.730 20 0 CHADMN CC[C@@H](C)CN[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000271722785 1122172718 /nfs/dbraw/zinc/17/27/18/1122172718.db2.gz UCRLZJDRYUKKLU-DOMZBBRYSA-N 0 1 291.826 3.799 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2ccccc2C)nc1 ZINC000271892278 1122181221 /nfs/dbraw/zinc/18/12/21/1122181221.db2.gz FBFCTCNZPGWIRS-CQSZACIVSA-N 0 1 270.376 3.592 20 0 CHADMN Cc1ccc(CN2CCC(=O)[C@@H]3CCCC[C@H]32)cc1C ZINC001204352537 1122182511 /nfs/dbraw/zinc/18/25/11/1122182511.db2.gz BLFOHHJZNBUIJK-IAGOWNOFSA-N 0 1 271.404 3.637 20 0 CHADMN C[C@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)CC2(CCCC2)O1 ZINC001182725578 1122185521 /nfs/dbraw/zinc/18/55/21/1122185521.db2.gz LDTKYIPZLHIYCG-DLBZAZTESA-N 0 1 299.458 3.825 20 0 CHADMN C[C@H]1CN(C[C@@H]2CCc3ccccc3C2)CC2(CCCC2)O1 ZINC001182725578 1122185523 /nfs/dbraw/zinc/18/55/23/1122185523.db2.gz LDTKYIPZLHIYCG-DLBZAZTESA-N 0 1 299.458 3.825 20 0 CHADMN C[C@@H](NC1(c2ccccc2)CC1)c1ccc(F)cn1 ZINC000271998832 1122186176 /nfs/dbraw/zinc/18/61/76/1122186176.db2.gz NIZWFIMFUUHMAB-GFCCVEGCSA-N 0 1 256.324 3.561 20 0 CHADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCCC1CCCCC1 ZINC000263523105 1129037383 /nfs/dbraw/zinc/03/73/83/1129037383.db2.gz RYKSGFRVCDTRNX-HIFRSBDPSA-N 0 1 267.413 3.532 20 0 CHADMN O=C(CCN1CCC[C@H]1c1ccc[nH]1)c1ccc(F)cc1 ZINC000272235206 1122194602 /nfs/dbraw/zinc/19/46/02/1122194602.db2.gz JHRKRGSXPLZIGU-INIZCTEOSA-N 0 1 286.350 3.564 20 0 CHADMN COCC[C@@H](NCc1cccs1)c1ccc(C)o1 ZINC000272229169 1122195234 /nfs/dbraw/zinc/19/52/34/1122195234.db2.gz FOJLDACZDWQOSN-CYBMUJFWSA-N 0 1 265.378 3.517 20 0 CHADMN Cc1c(Cl)cc(NC(=O)CC(F)F)c(O)c1Cl ZINC001182965843 1122197488 /nfs/dbraw/zinc/19/74/88/1122197488.db2.gz CNLLUEGGHPCKDP-UHFFFAOYSA-N 0 1 284.089 3.601 20 0 CHADMN C[C@@H](CO)N[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000272358749 1122200202 /nfs/dbraw/zinc/20/02/02/1122200202.db2.gz FBGSGIUFSPOYNY-MEDUHNTESA-N 0 1 293.769 3.539 20 0 CHADMN COCC[C@@H](N[C@H](C)c1ccccc1)c1ccco1 ZINC000272373699 1122200259 /nfs/dbraw/zinc/20/02/59/1122200259.db2.gz AJSGBDQBUBPTFJ-UKRRQHHQSA-N 0 1 259.349 3.708 20 0 CHADMN CCC[C@@H](C(=O)Nc1c(C)n[nH]c1C(F)F)C(C)C ZINC000272420558 1122202496 /nfs/dbraw/zinc/20/24/96/1122202496.db2.gz HKZKDQRDABLBCK-SECBINFHSA-N 0 1 273.327 3.667 20 0 CHADMN CC[C@@H](CC(=O)Nc1c(C)n[nH]c1C(F)F)C(C)C ZINC000272505164 1122204637 /nfs/dbraw/zinc/20/46/37/1122204637.db2.gz WMLYREFJDVIMJA-VIFPVBQESA-N 0 1 273.327 3.667 20 0 CHADMN COCC[C@@H](NCc1cnc2ccccc2c1)c1ccco1 ZINC000272582304 1122205688 /nfs/dbraw/zinc/20/56/88/1122205688.db2.gz PUICQSISCVSNAR-QGZVFWFLSA-N 0 1 296.370 3.695 20 0 CHADMN COCC[C@H](NCc1cc(C)sc1C)c1ccco1 ZINC000272602954 1122207359 /nfs/dbraw/zinc/20/73/59/1122207359.db2.gz SLRWZKMCFVRVAF-AWEZNQCLSA-N 0 1 279.405 3.825 20 0 CHADMN C[N@@H+](CCc1cnccn1)Cc1ccc(C(C)(C)C)s1 ZINC000272834236 1122213354 /nfs/dbraw/zinc/21/33/54/1122213354.db2.gz QHVGZTQANGNJIO-UHFFFAOYSA-N 0 1 289.448 3.510 20 0 CHADMN CC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000774614640 1122216221 /nfs/dbraw/zinc/21/62/21/1122216221.db2.gz VEHSDGBAPBMHHS-ABAIWWIYSA-N 0 1 285.790 3.635 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCC[C@@H](C3CCC3)C2)[nH]1 ZINC000620204524 1129039280 /nfs/dbraw/zinc/03/92/80/1129039280.db2.gz OBNPZQCMZRHPOY-CQSZACIVSA-N 0 1 297.402 3.524 20 0 CHADMN COc1ccnc(CN[C@@H](c2ccccc2)C(C)(C)C)c1 ZINC000273316739 1122227375 /nfs/dbraw/zinc/22/73/75/1122227375.db2.gz JKIMSNGTFSRWLG-KRWDZBQOSA-N 0 1 284.403 3.967 20 0 CHADMN CCCN(C)C(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000273464895 1122234001 /nfs/dbraw/zinc/23/40/01/1122234001.db2.gz FXKHEFHXTXHOKW-UHFFFAOYSA-N 0 1 299.399 3.773 20 0 CHADMN F[C@@H]1COc2ccccc2[C@H]1N[C@H]1C[C@@H]2CCCC[C@@H]21 ZINC001183798965 1122239770 /nfs/dbraw/zinc/23/97/70/1122239770.db2.gz HIKCRUQKNMHCAK-DLYIQGBQSA-N 0 1 275.367 3.627 20 0 CHADMN CC[C@@H]1CCC[C@H](CN2CCn3nc(C4CC4)cc3C2)C1 ZINC001184105650 1122255045 /nfs/dbraw/zinc/25/50/45/1122255045.db2.gz BACKAVMQZKYIMC-CABCVRRESA-N 0 1 287.451 3.793 20 0 CHADMN Cc1ccncc1CN(C)Cc1ccc2c(c1)CCCC2 ZINC000430061185 1122255249 /nfs/dbraw/zinc/25/52/49/1122255249.db2.gz PBCDZFWZNDGONV-UHFFFAOYSA-N 0 1 280.415 3.901 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@H](C3CCC3)C2)c1 ZINC000620210342 1129042567 /nfs/dbraw/zinc/04/25/67/1129042567.db2.gz VBHIMTCZFMKMGS-AWEZNQCLSA-N 0 1 297.402 3.524 20 0 CHADMN COC1CCC(CN2CCc3cc(F)cc(F)c3C2)CC1 ZINC001184418091 1122276273 /nfs/dbraw/zinc/27/62/73/1122276273.db2.gz KMSIVALCULFJKS-UHFFFAOYSA-N 0 1 295.373 3.528 20 0 CHADMN Cn1ccnc1CN[C@H](c1ccccc1)C1CCCCC1 ZINC000071139005 1129043827 /nfs/dbraw/zinc/04/38/27/1129043827.db2.gz HWKSIKQVQZCLQF-GOSISDBHSA-N 0 1 283.419 3.831 20 0 CHADMN FC(F)(F)c1cccc(Cl)c1CCN1CCCC1 ZINC001250167027 1122299108 /nfs/dbraw/zinc/29/91/08/1122299108.db2.gz ZZSCQNMLWBBNTG-UHFFFAOYSA-N 0 1 277.717 3.997 20 0 CHADMN Cc1ncsc1CN[C@H]1CCCc2c(Cl)ccnc21 ZINC000924968597 1122303748 /nfs/dbraw/zinc/30/37/48/1122303748.db2.gz BROFAYQGGDEBDV-LBPRGKRZSA-N 0 1 293.823 3.667 20 0 CHADMN C[C@@H](NC(=O)Nc1c(O)cc(F)cc1F)c1ccccc1 ZINC001185013278 1122307214 /nfs/dbraw/zinc/30/72/14/1122307214.db2.gz PNVQHFQDXSNFOE-SECBINFHSA-N 0 1 292.285 3.553 20 0 CHADMN CCC1(CNC(=O)Cc2[nH]nc3ccccc32)CCCCC1 ZINC000504949132 1122311665 /nfs/dbraw/zinc/31/16/65/1122311665.db2.gz IXHGHFGLCAHQCT-UHFFFAOYSA-N 0 1 299.418 3.582 20 0 CHADMN CO[C@@]1(C)C[C@@H](NCc2csc(C(C)C)n2)C1(C)C ZINC000072926412 1122314078 /nfs/dbraw/zinc/31/40/78/1122314078.db2.gz RBCVYKRBXUKAEQ-DOMZBBRYSA-N 0 1 282.453 3.560 20 0 CHADMN CC[C@H](C)CCC(=O)Nc1nc2cccc(C)c2[nH]1 ZINC001185558978 1122347686 /nfs/dbraw/zinc/34/76/86/1122347686.db2.gz ULXKUPBADVIUKV-JTQLQIEISA-N 0 1 259.353 3.636 20 0 CHADMN C[C@@H]1CC(C)(C)CC[C@@H]1Nc1nc(Cl)nc2[nH]cnc21 ZINC001185620537 1122354088 /nfs/dbraw/zinc/35/40/88/1122354088.db2.gz KTTQBGVBCWCBII-BDAKNGLRSA-N 0 1 293.802 3.633 20 0 CHADMN COc1ccc(CN2CCC[C@@H](C)C2)c(OC(F)F)c1 ZINC000505350204 1122358453 /nfs/dbraw/zinc/35/84/53/1122358453.db2.gz OCPJKCJUYWUOSI-LLVKDONJSA-N 0 1 285.334 3.529 20 0 CHADMN CCC1(CC)CCCN(Cc2ncnn2C(C)C)CC1 ZINC000434507638 1122373938 /nfs/dbraw/zinc/37/39/38/1122373938.db2.gz JDRLJARQYCTFPI-UHFFFAOYSA-N 0 1 278.444 3.651 20 0 CHADMN C[C@H](NC(=O)Nc1ccc(F)c(F)c1O)C1CCCCC1 ZINC001186398269 1122389773 /nfs/dbraw/zinc/38/97/73/1122389773.db2.gz GPGKMROCKZWVDS-VIFPVBQESA-N 0 1 298.333 3.761 20 0 CHADMN C=Cc1ccc(C(=O)Nc2cc3n[nH]c(C)c3c(F)c2)cc1 ZINC001186512618 1122395224 /nfs/dbraw/zinc/39/52/24/1122395224.db2.gz SZMSVKOPRDQURB-UHFFFAOYSA-N 0 1 295.317 3.906 20 0 CHADMN CCCOc1ccc(CNCc2cncc(F)c2)c(C)c1 ZINC000353195555 1122400366 /nfs/dbraw/zinc/40/03/66/1122400366.db2.gz VJBYLRLTEHHXRL-UHFFFAOYSA-N 0 1 288.366 3.608 20 0 CHADMN Cc1cc(CNc2nc3ccccc3s2)ccc1F ZINC000514322806 1122401197 /nfs/dbraw/zinc/40/11/97/1122401197.db2.gz YWZSVLKCMUGUMJ-UHFFFAOYSA-N 0 1 272.348 3.778 20 0 CHADMN CCn1nc(C)c(CN(C)Cc2cccc(C)c2C)c1C ZINC000430095892 1122403368 /nfs/dbraw/zinc/40/33/68/1122403368.db2.gz CRUHAKSWYFLXKR-UHFFFAOYSA-N 0 1 285.435 3.769 20 0 CHADMN COCC(C)(C)N(C)Cc1c(Cl)oc2ccccc21 ZINC000430118796 1122405236 /nfs/dbraw/zinc/40/52/36/1122405236.db2.gz FHNPABVRNUZHHK-UHFFFAOYSA-N 0 1 281.783 3.943 20 0 CHADMN CN(C)Cc1cc(-c2ccc(F)c3n[nH]cc32)ccc1F ZINC001205370985 1122405890 /nfs/dbraw/zinc/40/58/90/1122405890.db2.gz FRKVIYVEBMEHKC-UHFFFAOYSA-N 0 1 287.313 3.570 20 0 CHADMN Cc1ccc(C[N@@H+](C)Cc2cnc3ccc(C)cn23)cc1 ZINC000505563826 1122421257 /nfs/dbraw/zinc/42/12/57/1122421257.db2.gz JKRMZQGSGSRZJG-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc3ccc(C)cn23)cc1 ZINC000505563826 1122421261 /nfs/dbraw/zinc/42/12/61/1122421261.db2.gz JKRMZQGSGSRZJG-UHFFFAOYSA-N 0 1 279.387 3.583 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(-n3cccn3)cc2)oc1C ZINC000282436985 1122429061 /nfs/dbraw/zinc/42/90/61/1122429061.db2.gz ZFMQPOQCSLAVPD-CQSZACIVSA-N 0 1 295.386 3.933 20 0 CHADMN CC1(C)CCC[C@@H]1NCc1noc(-c2ccccc2F)n1 ZINC000435032714 1122430212 /nfs/dbraw/zinc/43/02/12/1122430212.db2.gz GNQYIFSUXNGDRD-ZDUSSCGKSA-N 0 1 289.354 3.544 20 0 CHADMN C[C@H](CC(=O)[O-])[N@@H+](C)Cc1ccc(C2CCCC2)cc1 ZINC000514617158 1122433466 /nfs/dbraw/zinc/43/34/66/1122433466.db2.gz SSZPVXTZHADLQW-CYBMUJFWSA-N 0 1 275.392 3.639 20 0 CHADMN COCCOc1ccccc1CN(C)Cc1ccccc1C ZINC000505615699 1122438645 /nfs/dbraw/zinc/43/86/45/1122438645.db2.gz XJJUKNAAXXLGHN-UHFFFAOYSA-N 0 1 299.414 3.652 20 0 CHADMN C[C@@H]1CN(Cc2ccsc2)Cc2ccccc2O1 ZINC000430132916 1122439324 /nfs/dbraw/zinc/43/93/24/1122439324.db2.gz NBWJYNGQSMQIEO-GFCCVEGCSA-N 0 1 259.374 3.531 20 0 CHADMN CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000505616629 1122439487 /nfs/dbraw/zinc/43/94/87/1122439487.db2.gz WRMRYDYWQSBXGK-BEFAXECRSA-N 0 1 296.414 3.748 20 0 CHADMN CC[C@H]1CO[C@H](C)CN1Cc1cccc(-c2ccncc2)c1 ZINC000505616629 1122439494 /nfs/dbraw/zinc/43/94/94/1122439494.db2.gz WRMRYDYWQSBXGK-BEFAXECRSA-N 0 1 296.414 3.748 20 0 CHADMN COc1ccc2nc(SCCCc3cccnc3)[nH]c2c1 ZINC001187987108 1122449367 /nfs/dbraw/zinc/44/93/67/1122449367.db2.gz NDOVOSGXQOVZDY-UHFFFAOYSA-N 0 1 299.399 3.691 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1cc(OC)ncc1F ZINC000514867626 1122460574 /nfs/dbraw/zinc/46/05/74/1122460574.db2.gz MBHAVLZSWMFIQY-IUCAKERBSA-N 0 1 294.292 3.611 20 0 CHADMN c1cc(C2CCCCC2)ccc1CCN1CCOCC1 ZINC001250274988 1122461016 /nfs/dbraw/zinc/46/10/16/1122461016.db2.gz ALVKVHBRIFXZJM-UHFFFAOYSA-N 0 1 273.420 3.609 20 0 CHADMN Cc1ccc(N(C)C(=O)c2cn[nH]c2-c2ccccc2)cc1 ZINC000079900079 1129056525 /nfs/dbraw/zinc/05/65/25/1129056525.db2.gz ALOOMVGPAVOCQA-UHFFFAOYSA-N 0 1 291.354 3.662 20 0 CHADMN O=C(Nc1ccc2ccccc2c1)Nc1ncc(F)cc1O ZINC001188583821 1122469646 /nfs/dbraw/zinc/46/96/46/1122469646.db2.gz IOZPYAYOSFCGNB-UHFFFAOYSA-N 0 1 297.289 3.724 20 0 CHADMN CC[C@@H](c1ccccc1OC)N(C)Cc1cccn1C ZINC000515050880 1122472459 /nfs/dbraw/zinc/47/24/59/1122472459.db2.gz ODIZGRQSPWDQAX-INIZCTEOSA-N 0 1 272.392 3.617 20 0 CHADMN c1csc(-c2cc(CN3CCC4(CC4)CC3)no2)c1 ZINC000366629209 1122473323 /nfs/dbraw/zinc/47/33/23/1122473323.db2.gz JPUKOKUVXMOOEL-UHFFFAOYSA-N 0 1 274.389 3.779 20 0 CHADMN F[C@H]1CCCN(Cc2cccc(-c3ccccn3)c2)C1 ZINC000515068187 1122475747 /nfs/dbraw/zinc/47/57/47/1122475747.db2.gz NOCOFCQEUOCWIO-INIZCTEOSA-N 0 1 270.351 3.683 20 0 CHADMN CC(C)[C@@H]1CCC[C@@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC000505708425 1122477841 /nfs/dbraw/zinc/47/78/41/1122477841.db2.gz ZMPAFIYCAWKSAW-CHWSQXEVSA-N 0 1 285.391 3.508 20 0 CHADMN CC[C@@H]1CO[C@H](C)CN1CCCOc1cc(C)ccc1C ZINC000515139366 1122479348 /nfs/dbraw/zinc/47/93/48/1122479348.db2.gz QCQBXZDQIYMTQE-IAGOWNOFSA-N 0 1 291.435 3.572 20 0 CHADMN C[C@H](CSC1CCC(C)(C)CC1)CN1CCOCC1 ZINC001189146670 1122490337 /nfs/dbraw/zinc/49/03/37/1122490337.db2.gz XOKJVBDMROARQC-AWEZNQCLSA-N 0 1 285.497 3.657 20 0 CHADMN CC(C)(C(=O)NOC1CCCC1)c1ccccc1Cl ZINC000775274926 1122507608 /nfs/dbraw/zinc/50/76/08/1122507608.db2.gz YFQHBCJCRQYDCF-UHFFFAOYSA-N 0 1 281.783 3.608 20 0 CHADMN CC(C)Cc1noc(CN2CC[C@H](C)[C@@H]3CCCC[C@H]32)n1 ZINC000515547058 1122509288 /nfs/dbraw/zinc/50/92/88/1122509288.db2.gz IEKMMWLPRDUKLX-SOUVJXGZSA-N 0 1 291.439 3.669 20 0 CHADMN O=C(Nc1cccc2cc[nH]c21)c1c(O)cccc1Cl ZINC000775288580 1122510890 /nfs/dbraw/zinc/51/08/90/1122510890.db2.gz WRJQYEUQGYMHKV-UHFFFAOYSA-N 0 1 286.718 3.779 20 0 CHADMN c1[nH]nnc1CCSC1CCC(c2ccccc2)CC1 ZINC001190064395 1122523058 /nfs/dbraw/zinc/52/30/58/1122523058.db2.gz SVOBMTNTPNYQAN-UHFFFAOYSA-N 0 1 287.432 3.807 20 0 CHADMN COc1ccc(C[N@@H+](C)Cc2cccc(Cl)c2[O-])cc1 ZINC000183509222 1129060334 /nfs/dbraw/zinc/06/03/34/1129060334.db2.gz MNSQBBBJRUIEAJ-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN COc1ccc(CN(C)Cc2cccc(C)c2OC)cc1 ZINC001237499465 1129060359 /nfs/dbraw/zinc/06/03/59/1129060359.db2.gz CLFJSIALLTUVIQ-UHFFFAOYSA-N 0 1 285.387 3.644 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2cn3ccccc3n2)c1 ZINC000515745007 1122531767 /nfs/dbraw/zinc/53/17/67/1122531767.db2.gz WIXMGQONVHPNPS-SFHVURJKSA-N 0 1 291.398 3.980 20 0 CHADMN CC1=CCC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000436269933 1122532142 /nfs/dbraw/zinc/53/21/42/1122532142.db2.gz LSXWRYXUDLIPLQ-UHFFFAOYSA-N 0 1 256.324 3.526 20 0 CHADMN CC[C@H](OCCN1C[C@@H](C)OC[C@@H]1CC)c1ccccc1 ZINC001190341489 1122533881 /nfs/dbraw/zinc/53/38/81/1122533881.db2.gz YVBJIWLUIJBQBY-NJAFHUGGSA-N 0 1 291.435 3.654 20 0 CHADMN COCCN(Cc1nc(C)c(C(C)(C)C)s1)CC(C)C ZINC001190332599 1122534031 /nfs/dbraw/zinc/53/40/31/1122534031.db2.gz VSGKFKUPFLEWJP-UHFFFAOYSA-N 0 1 298.496 3.853 20 0 CHADMN Cc1ccc(CN(C[C@@H]2CC[C@@H](C3CC3)O2)C2CC2)o1 ZINC001190375906 1122536605 /nfs/dbraw/zinc/53/66/05/1122536605.db2.gz VQRMIHBZQMKGEB-IRXDYDNUSA-N 0 1 275.392 3.510 20 0 CHADMN CC(C)CCN(C)Cc1ccn(CCc2ccccc2)n1 ZINC001190427425 1122537220 /nfs/dbraw/zinc/53/72/20/1122537220.db2.gz RUWPBZQPRVDBAE-UHFFFAOYSA-N 0 1 285.435 3.604 20 0 CHADMN CC[C@@](C)(NCc1cccc(OC)n1)c1ccccc1 ZINC000775386022 1122537310 /nfs/dbraw/zinc/53/73/10/1122537310.db2.gz BWDLCZMAIPUZGM-QGZVFWFLSA-N 0 1 270.376 3.505 20 0 CHADMN Cc1ccc(C)c([C@H](C)N(C)Cc2cnc(C)cn2)c1 ZINC000505790011 1122538549 /nfs/dbraw/zinc/53/85/49/1122538549.db2.gz JVSQJLBMTDZEJL-HNNXBMFYSA-N 0 1 269.392 3.595 20 0 CHADMN CC[C@](C)(NCc1ccn(C(C)C)n1)c1ccccc1 ZINC000775393346 1122541607 /nfs/dbraw/zinc/54/16/07/1122541607.db2.gz HFARMQDJNWUMQG-KRWDZBQOSA-N 0 1 271.408 3.879 20 0 CHADMN Cc1nc(CN(Cc2cccc(C)c2)CC(C)C)[nH]c1C ZINC001190561525 1122543073 /nfs/dbraw/zinc/54/30/73/1122543073.db2.gz SFBOQGGWWYRBHY-UHFFFAOYSA-N 0 1 285.435 3.993 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(Oc3ccccc3)nn2)[C@H](C)C1 ZINC000425526382 1122543123 /nfs/dbraw/zinc/54/31/23/1122543123.db2.gz WZFYVGFWCJFKQR-HUUCEWRRSA-N 0 1 297.402 3.889 20 0 CHADMN Fc1cccc(Cl)c1CN[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000515918415 1122552685 /nfs/dbraw/zinc/55/26/85/1122552685.db2.gz BURJBJLRYXGLME-JCURWCKSSA-N 0 1 287.765 3.907 20 0 CHADMN C[C@@H]1CCc2ccccc2[C@@H]1NCc1cccc(F)n1 ZINC000775416208 1122557144 /nfs/dbraw/zinc/55/71/44/1122557144.db2.gz WSPADDAOFYHIRO-SJKOYZFVSA-N 0 1 270.351 3.634 20 0 CHADMN CC[C@@H]1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000436579365 1122564096 /nfs/dbraw/zinc/56/40/96/1122564096.db2.gz UMZAMDMQXLOJQQ-MRVPVSSYSA-N 0 1 288.174 3.571 20 0 CHADMN CCC(CC)[N@@H+](CC[C@@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000516076198 1122567027 /nfs/dbraw/zinc/56/70/27/1122567027.db2.gz NEAVDTNXHNZOQH-QGZVFWFLSA-N 0 1 289.419 3.898 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)c2cccc(C)c2)c1 ZINC000436651339 1122568122 /nfs/dbraw/zinc/56/81/22/1122568122.db2.gz FAXHDGPSFLTLLH-UHFFFAOYSA-N 0 1 283.327 3.546 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H](C)C(C)(C)C)c1 ZINC000436651878 1122568395 /nfs/dbraw/zinc/56/83/95/1122568395.db2.gz YPKLPOGLEMNYBO-SNVBAGLBSA-N 0 1 277.364 3.606 20 0 CHADMN CCN(CC)[C@@H](C(=O)N[C@H](C)CC(C)C)c1ccccc1 ZINC000505865780 1122572312 /nfs/dbraw/zinc/57/23/12/1122572312.db2.gz GTEXAHWSGKQJJE-NVXWUHKLSA-N 0 1 290.451 3.620 20 0 CHADMN CCN(CC)[C@H](C(=O)N[C@@H](C)CC(C)C)c1ccccc1 ZINC000505865781 1122572957 /nfs/dbraw/zinc/57/29/57/1122572957.db2.gz GTEXAHWSGKQJJE-RDJZCZTQSA-N 0 1 290.451 3.620 20 0 CHADMN CC(C)CCC1CCN(C(=O)c2c(O)cccc2F)CC1 ZINC000436694542 1122573036 /nfs/dbraw/zinc/57/30/36/1122573036.db2.gz AKPSKPALJWAWBY-UHFFFAOYSA-N 0 1 293.382 3.820 20 0 CHADMN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000505864040 1122573619 /nfs/dbraw/zinc/57/36/19/1122573619.db2.gz IWCJLLOIXFYBMJ-MCIONIFRSA-N 0 1 297.402 3.583 20 0 CHADMN c1cc2c(nc1NCC1CCSCC1)CCCC2 ZINC000712362698 1122574917 /nfs/dbraw/zinc/57/49/17/1122574917.db2.gz IIFTXZOGGKDEFB-UHFFFAOYSA-N 0 1 262.422 3.516 20 0 CHADMN COc1cc(CN2CCC[C@H]2/C=C\c2ccccc2)ccn1 ZINC000505869891 1122575009 /nfs/dbraw/zinc/57/50/09/1122575009.db2.gz QNFQODLDQFJPKW-LPADLIQXSA-N 0 1 294.398 3.768 20 0 CHADMN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1c(O)cccc1F ZINC000436737345 1122576535 /nfs/dbraw/zinc/57/65/35/1122576535.db2.gz IRIDGUPLDHUYDT-NEPJUHHUSA-N 0 1 293.382 3.818 20 0 CHADMN Cc1c[nH]c(C(=O)Nc2c(Cl)ccc(O)c2Cl)c1C ZINC001191158535 1122578720 /nfs/dbraw/zinc/57/87/20/1122578720.db2.gz IAPPHHLLMQCOQO-UHFFFAOYSA-N 0 1 299.157 3.896 20 0 CHADMN COc1ccc(C(C)C)cc1CN1CCSC[C@@H]1C ZINC001191173887 1122579531 /nfs/dbraw/zinc/57/95/31/1122579531.db2.gz JUHUGBURWCIMHC-ZDUSSCGKSA-N 0 1 279.449 3.756 20 0 CHADMN COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccncc1C ZINC000516391611 1122595788 /nfs/dbraw/zinc/59/57/88/1122595788.db2.gz VUICFRFINIZVAX-QGZVFWFLSA-N 0 1 282.387 3.736 20 0 CHADMN CCCN(CC1CCCCC1)C(=O)c1c(O)cccc1F ZINC000436947103 1122597736 /nfs/dbraw/zinc/59/77/36/1122597736.db2.gz QROFSGLURXMLDG-UHFFFAOYSA-N 0 1 293.382 3.964 20 0 CHADMN C[C@H](NCc1n[nH]c(C(C)(C)C)n1)c1ccc(C2CC2)cc1 ZINC000516434776 1122598275 /nfs/dbraw/zinc/59/82/75/1122598275.db2.gz LCPWYSSKYNEYIG-LBPRGKRZSA-N 0 1 298.434 3.830 20 0 CHADMN Cn1ccnc1[C@@H](N[C@H](c1cccs1)C1CC1)C1CC1 ZINC000638319915 1122599890 /nfs/dbraw/zinc/59/98/90/1122599890.db2.gz SWGMWASOHCGUSS-GJZGRUSLSA-N 0 1 287.432 3.674 20 0 CHADMN Cc1ccc([C@@H](C)N(C)Cc2cnc(C)cn2)c(C)c1 ZINC000505913746 1122600471 /nfs/dbraw/zinc/60/04/71/1122600471.db2.gz WNUWFOZVWJCZKW-OAHLLOKOSA-N 0 1 269.392 3.595 20 0 CHADMN COc1cccc(F)c1[C@H](C)NC[C@H]1CC1(Cl)Cl ZINC000775458644 1122603088 /nfs/dbraw/zinc/60/30/88/1122603088.db2.gz MDNSUSLTYIOWPE-DTWKUNHWSA-N 0 1 292.181 3.679 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H](C)c1ccccc1 ZINC000437000329 1122603379 /nfs/dbraw/zinc/60/33/79/1122603379.db2.gz HSOQLBRNJGUDIQ-GFCCVEGCSA-N 0 1 279.343 3.614 20 0 CHADMN CC(C)[C@@H]1CCN(Cc2csc(Br)c2)C1 ZINC001191541649 1122604614 /nfs/dbraw/zinc/60/46/14/1122604614.db2.gz VLWWMFWRAHINAM-LLVKDONJSA-N 0 1 288.254 3.989 20 0 CHADMN CCCSc1ccc2nc(CCSC)[nH]c2c1 ZINC001250426332 1122605631 /nfs/dbraw/zinc/60/56/31/1122605631.db2.gz SPALQSPRPDTEII-UHFFFAOYSA-N 0 1 266.435 3.971 20 0 CHADMN Oc1cccnc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000516513285 1122606827 /nfs/dbraw/zinc/60/68/27/1122606827.db2.gz QNRLXTVULNPNNG-BJWYYQGGSA-N 0 1 294.398 3.698 20 0 CHADMN [O-]c1cccnc1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000516513285 1122606829 /nfs/dbraw/zinc/60/68/29/1122606829.db2.gz QNRLXTVULNPNNG-BJWYYQGGSA-N 0 1 294.398 3.698 20 0 CHADMN [O-]c1cccnc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000516513285 1122606831 /nfs/dbraw/zinc/60/68/31/1122606831.db2.gz QNRLXTVULNPNNG-BJWYYQGGSA-N 0 1 294.398 3.698 20 0 CHADMN CCC1(c2nc3ccc(C(C)(C)C)cc3[nH]2)COC1 ZINC001250434926 1122614682 /nfs/dbraw/zinc/61/46/82/1122614682.db2.gz PUXPGGAQLJXKST-UHFFFAOYSA-N 0 1 258.365 3.538 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000437141163 1122616925 /nfs/dbraw/zinc/61/69/25/1122616925.db2.gz DHZZTNSTDYBHTB-LSDHHAIUSA-N 0 1 299.336 3.767 20 0 CHADMN Cc1cc(C(F)(F)F)ccc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000437141163 1122616928 /nfs/dbraw/zinc/61/69/28/1122616928.db2.gz DHZZTNSTDYBHTB-LSDHHAIUSA-N 0 1 299.336 3.767 20 0 CHADMN Cc1nc(C(=O)Nc2ccccc2SC(C)(C)C)no1 ZINC001191999129 1122624234 /nfs/dbraw/zinc/62/42/34/1122624234.db2.gz GDPHFXNBRJEEMS-UHFFFAOYSA-N 0 1 291.376 3.521 20 0 CHADMN Cc1nc2sccn2c1CN(C)Cc1ccc(C)cc1C ZINC000506016838 1122625800 /nfs/dbraw/zinc/62/58/00/1122625800.db2.gz LPQKSKUQIPVPJG-UHFFFAOYSA-N 0 1 299.443 3.953 20 0 CHADMN CC(C)OC(=O)[C@@H](C)N(C)CCCC1CCCCC1 ZINC001192198564 1122632361 /nfs/dbraw/zinc/63/23/61/1122632361.db2.gz LCDQIYNGWKXZBC-CQSZACIVSA-N 0 1 269.429 3.619 20 0 CHADMN c1ccc2c(c1)CC[C@@]21C[N@@H+](CCC2CCCC2)CCO1 ZINC001192253419 1122634893 /nfs/dbraw/zinc/63/48/93/1122634893.db2.gz SRCYESVPWYLXTO-LJQANCHMSA-N 0 1 285.431 3.741 20 0 CHADMN Cc1cc(NC(=O)Nc2ccc(F)c(F)c2O)ccc1F ZINC001192393030 1122645076 /nfs/dbraw/zinc/64/50/76/1122645076.db2.gz FCPFSYMPBLDIPP-UHFFFAOYSA-N 0 1 296.248 3.762 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cncc(Cl)c2)CC(C)(C)C1 ZINC001192501023 1122648702 /nfs/dbraw/zinc/64/87/02/1122648702.db2.gz LKUVRTIENYQHMD-NSHDSACASA-N 0 1 252.789 3.603 20 0 CHADMN C[C@@H]1CN(Cc2cncc(Cl)c2)CC(C)(C)C1 ZINC001192501023 1122648705 /nfs/dbraw/zinc/64/87/05/1122648705.db2.gz LKUVRTIENYQHMD-NSHDSACASA-N 0 1 252.789 3.603 20 0 CHADMN Cn1cc(CN[C@H](c2ccc(F)cc2F)C(C)(C)C)cn1 ZINC001192575973 1122651844 /nfs/dbraw/zinc/65/18/44/1122651844.db2.gz ZHZZEEHHBSTDEQ-OAHLLOKOSA-N 0 1 293.361 3.575 20 0 CHADMN CC(C)=CCN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000506121945 1122653911 /nfs/dbraw/zinc/65/39/11/1122653911.db2.gz JWKTYCMLOAEKDB-SFHVURJKSA-N 0 1 266.388 3.859 20 0 CHADMN CCO[C@H](C)c1noc(C[N@H+]2CCCCC[C@@H]2C(C)C)n1 ZINC001192654075 1122654087 /nfs/dbraw/zinc/65/40/87/1122654087.db2.gz UQDSSVQBLXEUNQ-ZIAGYGMSSA-N 0 1 295.427 3.568 20 0 CHADMN CCO[C@H](C)c1noc(CN2CCCCC[C@@H]2C(C)C)n1 ZINC001192654075 1122654088 /nfs/dbraw/zinc/65/40/88/1122654088.db2.gz UQDSSVQBLXEUNQ-ZIAGYGMSSA-N 0 1 295.427 3.568 20 0 CHADMN CC(C)[N@H+]1CCCC[C@@H]1CN[C@H](C(C)(C)C)C(F)(F)F ZINC001192616498 1122654146 /nfs/dbraw/zinc/65/41/46/1122654146.db2.gz KPYTULZJSRVYSP-CHWSQXEVSA-N 0 1 294.405 3.816 20 0 CHADMN CC(C)N1CCCC[C@@H]1CN[C@H](C(C)(C)C)C(F)(F)F ZINC001192616498 1122654148 /nfs/dbraw/zinc/65/41/48/1122654148.db2.gz KPYTULZJSRVYSP-CHWSQXEVSA-N 0 1 294.405 3.816 20 0 CHADMN CC(C)CCC[C@@H](C)NC(=O)c1c(O)ccc(F)c1F ZINC001192769427 1122658159 /nfs/dbraw/zinc/65/81/59/1122658159.db2.gz LLACYMUPNJQMTN-SNVBAGLBSA-N 0 1 285.334 3.615 20 0 CHADMN COc1cc(CN[C@H](C)c2cc3ccc(C)cc3o2)ccn1 ZINC000425911795 1122658913 /nfs/dbraw/zinc/65/89/13/1122658913.db2.gz COHRHGYWCCEKJO-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN CCc1cccc(C(=O)Nc2ccc3c(C)[nH]nc3c2)c1 ZINC001192974473 1122669013 /nfs/dbraw/zinc/66/90/13/1122669013.db2.gz RHZGPWLSYYBFNX-UHFFFAOYSA-N 0 1 279.343 3.686 20 0 CHADMN CCc1onc(C)c1CN1CC=C(C(C)(C)C)CC1 ZINC001193022604 1122670976 /nfs/dbraw/zinc/67/09/76/1122670976.db2.gz UULQSUPLRMHVOM-UHFFFAOYSA-N 0 1 262.397 3.724 20 0 CHADMN CC(C)(O)c1ccc(CN[C@H]2CSc3ccccc32)cc1 ZINC000775569019 1122673367 /nfs/dbraw/zinc/67/33/67/1122673367.db2.gz NXHCCVSCHBGTQK-INIZCTEOSA-N 0 1 299.439 3.851 20 0 CHADMN CC[C@@H](O)[C@@H]1CCCCN1Cc1ccc(Cl)cc1F ZINC000438123666 1122680341 /nfs/dbraw/zinc/68/03/41/1122680341.db2.gz YLPHSDDFJKGNGM-LSDHHAIUSA-N 0 1 285.790 3.605 20 0 CHADMN CCC[N@H+](Cc1cc(Cl)nc(Cl)c1[O-])CC1CC1 ZINC001237524105 1129070862 /nfs/dbraw/zinc/07/08/62/1129070862.db2.gz CNSCTLBHMYFEHW-UHFFFAOYSA-N 0 1 289.206 3.716 20 0 CHADMN C[C@H]1CCN(Cc2cc(O)ccc2Cl)CC1(C)C ZINC001193209863 1122681267 /nfs/dbraw/zinc/68/12/67/1122681267.db2.gz JPIWJSWRVKUJKW-NSHDSACASA-N 0 1 267.800 3.914 20 0 CHADMN C[C@@]1(c2ccccc2)CC[C@@H](N2CCOC3(CCC3)C2)C1 ZINC000438128715 1122681993 /nfs/dbraw/zinc/68/19/93/1122681993.db2.gz PLHGAMVSNJEHBK-QZTJIDSGSA-N 0 1 285.431 3.752 20 0 CHADMN CCC[N@@H+](CCCCC(F)(F)F)[C@@H](CC)C(=O)OCC ZINC001193365449 1122686736 /nfs/dbraw/zinc/68/67/36/1122686736.db2.gz RZBANQRVIISGMK-LBPRGKRZSA-N 0 1 297.361 3.773 20 0 CHADMN CCc1cnc(CN2CCC[C@H](C(C)C)C2)s1 ZINC000438323785 1122691002 /nfs/dbraw/zinc/69/10/02/1122691002.db2.gz JLJLIOPWQCNPIW-LBPRGKRZSA-N 0 1 252.427 3.574 20 0 CHADMN Cc1ccc(CNCc2ccccc2N(C)C(C)C)nc1 ZINC000438337749 1122692495 /nfs/dbraw/zinc/69/24/95/1122692495.db2.gz AOYFXTXZJBNWAY-UHFFFAOYSA-N 0 1 283.419 3.524 20 0 CHADMN CCc1ccc(CNCc2ccccc2N(C)C(C)C)o1 ZINC000438347832 1122693069 /nfs/dbraw/zinc/69/30/69/1122693069.db2.gz VASUDNUBORWDDZ-UHFFFAOYSA-N 0 1 286.419 3.976 20 0 CHADMN Cc1cc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)cc2cccnc12 ZINC000438360665 1122693265 /nfs/dbraw/zinc/69/32/65/1122693265.db2.gz WPIVBVXIPVORJB-KKUMJFAQSA-N 0 1 284.403 3.541 20 0 CHADMN CC(C)[C@@H]1CCCN(Cc2cncc(Br)c2)C1 ZINC000438345610 1122693766 /nfs/dbraw/zinc/69/37/66/1122693766.db2.gz IORWLPPIUGYLPQ-CYBMUJFWSA-N 0 1 297.240 3.712 20 0 CHADMN Cc1cc(C)c(CN2CCc3ncsc3C2)cc1C ZINC000438363818 1122694969 /nfs/dbraw/zinc/69/49/69/1122694969.db2.gz MAHNDMYQOOUPII-UHFFFAOYSA-N 0 1 272.417 3.627 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)OC1CCCC1 ZINC001193556174 1122700246 /nfs/dbraw/zinc/70/02/46/1122700246.db2.gz WCVHSZJCHYAPBH-UHFFFAOYSA-N 0 1 255.701 3.537 20 0 CHADMN O=C(Nc1cc(F)c(O)c(F)c1)OC1CCCCC1 ZINC001193629814 1122702004 /nfs/dbraw/zinc/70/20/04/1122702004.db2.gz VSRMSTROYHYASU-UHFFFAOYSA-N 0 1 271.263 3.552 20 0 CHADMN Cc1nc(CN[C@@H](CC(F)(F)F)C(C)C)cs1 ZINC000438477158 1122703546 /nfs/dbraw/zinc/70/35/46/1122703546.db2.gz KCHCWAXOYMECJR-JTQLQIEISA-N 0 1 266.332 3.518 20 0 CHADMN CCC(CC)n1ccc(CN2CC[C@H](C(C)C)C2)n1 ZINC000438499921 1122704392 /nfs/dbraw/zinc/70/43/92/1122704392.db2.gz PQUXSTMBKGCIDC-AWEZNQCLSA-N 0 1 263.429 3.722 20 0 CHADMN CC(C)c1nc(CN2CCc3cc(C(C)(C)C)ccc32)n[nH]1 ZINC001193674935 1122708628 /nfs/dbraw/zinc/70/86/28/1122708628.db2.gz MLDHRIMAMBJQJD-UHFFFAOYSA-N 0 1 298.434 3.788 20 0 CHADMN COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1cccc2ccccc21 ZINC001193686816 1122709236 /nfs/dbraw/zinc/70/92/36/1122709236.db2.gz NISJUFMFHMESSU-KSSFIOAISA-N 0 1 297.398 3.613 20 0 CHADMN Cc1ccc2cc([C@@H](C)N[C@@H](C)c3cnn(C)c3)oc2c1 ZINC000426053981 1122709271 /nfs/dbraw/zinc/70/92/71/1122709271.db2.gz ZMSLDVMVFFXSDW-QWHCGFSZSA-N 0 1 283.375 3.887 20 0 CHADMN Cc1ccccc1-c1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000506281109 1122710347 /nfs/dbraw/zinc/71/03/47/1122710347.db2.gz QJFBQVLDZBTVTQ-INIZCTEOSA-N 0 1 281.399 3.883 20 0 CHADMN CCCc1csc(CN([C@H](C)C2CC2)C2CC2)n1 ZINC000426074054 1122713062 /nfs/dbraw/zinc/71/30/62/1122713062.db2.gz SJRMZWOURIYHTM-LLVKDONJSA-N 0 1 264.438 3.859 20 0 CHADMN c1ccc([C@@H]2CN(Cc3ccc4c(c3)CCC4)CCO2)cc1 ZINC000506325794 1122719745 /nfs/dbraw/zinc/71/97/45/1122719745.db2.gz JYRDUBAGAOJVMR-FQEVSTJZSA-N 0 1 293.410 3.749 20 0 CHADMN Cc1ccc(CN2CCCC[C@H]2c2ccccc2)nn1 ZINC000334866249 1122729293 /nfs/dbraw/zinc/72/92/93/1122729293.db2.gz DNKNXKQVGKKKCW-KRWDZBQOSA-N 0 1 267.376 3.512 20 0 CHADMN CSc1ccc(CN(C)CCOc2ccccc2)s1 ZINC000438848836 1122734443 /nfs/dbraw/zinc/73/44/43/1122734443.db2.gz HAHFZHXLPXICEK-UHFFFAOYSA-N 0 1 293.457 3.981 20 0 CHADMN CCOc1cc(F)c(CN2C[C@H]3CCC[C@@H]3C2)c(F)c1 ZINC001143564785 1122738364 /nfs/dbraw/zinc/73/83/64/1122738364.db2.gz LIDCBKUXIAKXRL-VXGBXAGGSA-N 0 1 281.346 3.595 20 0 CHADMN CC(C)=CCC[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC001194019181 1122738829 /nfs/dbraw/zinc/73/88/29/1122738829.db2.gz BFIXXMHCHCRKJH-OAHLLOKOSA-N 0 1 276.399 3.693 20 0 CHADMN C[C@H]1CN(Cc2cccc(F)c2)CCN1Cc1ccccc1 ZINC001203789669 1122755662 /nfs/dbraw/zinc/75/56/62/1122755662.db2.gz LCLMYMJYOHZGGJ-INIZCTEOSA-N 0 1 298.405 3.532 20 0 CHADMN CCCc1csc(CN2CCCC(C)(C)C2)n1 ZINC000426365567 1122774890 /nfs/dbraw/zinc/77/48/90/1122774890.db2.gz MNBWGOTVGGLJQZ-UHFFFAOYSA-N 0 1 252.427 3.718 20 0 CHADMN FC(F)(F)[C@H]1C[C@H](Nc2ccc3cnccc3c2)CCO1 ZINC000296585664 1122775533 /nfs/dbraw/zinc/77/55/33/1122775533.db2.gz QBKFNIVOANOIRW-ZIAGYGMSSA-N 0 1 296.292 3.757 20 0 CHADMN C/C(=C/c1ccccc1)CN(C)Cc1cnn(C(C)C)c1 ZINC000426368626 1122775873 /nfs/dbraw/zinc/77/58/73/1122775873.db2.gz BENQIMHLJPUISS-YBEGLDIGSA-N 0 1 283.419 3.999 20 0 CHADMN FC(F)(F)C[C@@H]1CCN(Cc2cnc(C3CC3)s2)C1 ZINC000518683598 1122777768 /nfs/dbraw/zinc/77/77/68/1122777768.db2.gz RLMLPZXULITRMF-VIFPVBQESA-N 0 1 290.354 3.795 20 0 CHADMN Fc1cc2nc(CC3CCCC3)[nH]c2cc1-n1cccn1 ZINC001250576582 1122780046 /nfs/dbraw/zinc/78/00/46/1122780046.db2.gz UJRXPUGDNUULOS-UHFFFAOYSA-N 0 1 284.338 3.620 20 0 CHADMN C[C@H](C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1)C1CC1 ZINC000153792563 1129077544 /nfs/dbraw/zinc/07/75/44/1129077544.db2.gz WGIQRTASYVEQLV-ZETCQYMHSA-N 0 1 297.280 3.566 20 0 CHADMN CC(=O)CN1CCCCC[C@@H]1Cc1ccccc1Cl ZINC001194703967 1122789995 /nfs/dbraw/zinc/78/99/95/1122789995.db2.gz USHAGCHESOYOCD-OAHLLOKOSA-N 0 1 279.811 3.716 20 0 CHADMN Clc1cccc(C2(N[C@@H]3CCCc4n[nH]cc43)CC2)c1 ZINC000335411776 1122792310 /nfs/dbraw/zinc/79/23/10/1122792310.db2.gz FRSLHWFLAMWTBX-CQSZACIVSA-N 0 1 287.794 3.719 20 0 CHADMN Fc1ccc(Br)cc1CN1CC[C@H]2CCC[C@@H]21 ZINC000426462170 1122799976 /nfs/dbraw/zinc/79/99/76/1122799976.db2.gz UUNSQODBZAXYIF-YGRLFVJLSA-N 0 1 298.199 3.963 20 0 CHADMN CC(C)CCOC(=O)Nc1cccc(Cl)c1O ZINC001194872211 1122815120 /nfs/dbraw/zinc/81/51/20/1122815120.db2.gz WGSLIFJXBAHPQO-UHFFFAOYSA-N 0 1 257.717 3.640 20 0 CHADMN CN(Cc1nc2ccc(F)cc2s1)[C@@H]1CC1(C)C ZINC000426558537 1122822490 /nfs/dbraw/zinc/82/24/90/1122822490.db2.gz VJOPRPLUDYMDOH-GFCCVEGCSA-N 0 1 264.369 3.666 20 0 CHADMN C[C@H](NCc1cn2ccccc2n1)c1cc2ccccc2[nH]1 ZINC000775632419 1122836378 /nfs/dbraw/zinc/83/63/78/1122836378.db2.gz MLVORBJURHNACM-ZDUSSCGKSA-N 0 1 290.370 3.666 20 0 CHADMN CCN(Cc1c(F)cccc1F)C1CC(C)(C)C1 ZINC001195084800 1122841521 /nfs/dbraw/zinc/84/15/21/1122841521.db2.gz ZEXXWESAGRPLGM-UHFFFAOYSA-N 0 1 253.336 3.975 20 0 CHADMN CCOc1ccc(CNCc2ccc(CSC)cc2)o1 ZINC000894426740 1122851694 /nfs/dbraw/zinc/85/16/94/1122851694.db2.gz VJMVLAOTRFSGKC-UHFFFAOYSA-N 0 1 291.416 3.831 20 0 CHADMN c1cc([C@@H]2CCCN2Cc2nccc3c2CCCC3)ccn1 ZINC000894450407 1122854922 /nfs/dbraw/zinc/85/49/22/1122854922.db2.gz VABIIXOTELXECY-IBGZPJMESA-N 0 1 293.414 3.693 20 0 CHADMN CCC(C)(C)OCc1ccccc1NCc1cnc[nH]1 ZINC000894459628 1122857070 /nfs/dbraw/zinc/85/70/70/1122857070.db2.gz SRDDIWIGSJZPAA-UHFFFAOYSA-N 0 1 273.380 3.727 20 0 CHADMN FC(F)(F)c1cc2nc(-c3cnccn3)[nH]c2c(Cl)c1 ZINC001250630172 1122858060 /nfs/dbraw/zinc/85/80/60/1122858060.db2.gz WKZLGLYOSRCQHK-UHFFFAOYSA-N 0 1 298.655 3.692 20 0 CHADMN Cc1cccc(NS(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195268675 1122859395 /nfs/dbraw/zinc/85/93/95/1122859395.db2.gz YGQFTUGHTOJHQN-UHFFFAOYSA-N 0 1 295.791 3.758 20 0 CHADMN CC(C)=CCC/C(C)=C/CNC(=O)c1ccc2cncn2c1 ZINC001152202747 1122861791 /nfs/dbraw/zinc/86/17/91/1122861791.db2.gz SZYNQAJIZVWVLX-OQLLNIDSSA-N 0 1 297.402 3.757 20 0 CHADMN C[C@@H]1CN(Cc2c(Cl)cncc2Cl)[C@@H](C)[C@H]1C ZINC001195289126 1122862104 /nfs/dbraw/zinc/86/21/04/1122862104.db2.gz JHAZZBQNROOVBV-UTLUCORTSA-N 0 1 273.207 3.865 20 0 CHADMN Cc1ccc([C@@H](C)NC(=O)c2ccc(O)c(Cl)c2)s1 ZINC000048743237 1122862973 /nfs/dbraw/zinc/86/29/73/1122862973.db2.gz KNVCQBPUIFBNGB-SECBINFHSA-N 0 1 295.791 3.907 20 0 CHADMN CCNC(=S)Nc1cc(Cl)c(CC)c(Cl)c1O ZINC001195347244 1122864160 /nfs/dbraw/zinc/86/41/60/1122864160.db2.gz NCFGGUFCSSTHAK-UHFFFAOYSA-N 0 1 293.219 3.568 20 0 CHADMN COC(=O)c1cnc([C@H](C)NC[C@H](C)CC(C)(C)C)s1 ZINC001195334253 1122865445 /nfs/dbraw/zinc/86/54/45/1122865445.db2.gz NYNTXVITBRWPFS-MNOVXSKESA-N 0 1 298.452 3.653 20 0 CHADMN C[C@@H]1CCC[C@@H](C)[N@@H+](CC[C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000519555815 1122867930 /nfs/dbraw/zinc/86/79/30/1122867930.db2.gz ZDUSGVDKUCEGHV-BFYDXBDKSA-N 0 1 289.419 3.755 20 0 CHADMN C[C@@H]1CCC[C@@H](C)[N@@H+](CC[C@H](C(=O)[O-])c2ccccc2)C1 ZINC000519555836 1122868322 /nfs/dbraw/zinc/86/83/22/1122868322.db2.gz ZDUSGVDKUCEGHV-INMHGKMJSA-N 0 1 289.419 3.755 20 0 CHADMN COc1cc2[nH]c(-c3ccc(Cl)nc3)nc2cc1Cl ZINC001250643388 1122874440 /nfs/dbraw/zinc/87/44/40/1122874440.db2.gz BMRRTZLHNAFDMJ-UHFFFAOYSA-N 0 1 294.141 3.940 20 0 CHADMN CC(C)(N[C@@H]1CCOC2(CCCCC2)C1)C(F)F ZINC000894603010 1122877582 /nfs/dbraw/zinc/87/75/82/1122877582.db2.gz IVXRPGOJHXAMQY-LLVKDONJSA-N 0 1 261.356 3.502 20 0 CHADMN Cc1ccc(CN2CCC[C@@H]2c2ccc(C)nc2)o1 ZINC001203302270 1122886205 /nfs/dbraw/zinc/88/62/05/1122886205.db2.gz XYFPHPGMFAKBIF-MRXNPFEDSA-N 0 1 256.349 3.629 20 0 CHADMN Oc1cc(NC(=S)Nc2ccccc2F)cc(F)c1F ZINC001195776266 1122887613 /nfs/dbraw/zinc/88/76/13/1122887613.db2.gz BZWISISBSGLGDZ-UHFFFAOYSA-N 0 1 298.289 3.618 20 0 CHADMN Cc1oc(C(C)(C)C)cc1CNCc1ccnc(C)c1 ZINC000894678840 1122890563 /nfs/dbraw/zinc/89/05/63/1122890563.db2.gz KMSVHXPJQUVXCU-UHFFFAOYSA-N 0 1 272.392 3.879 20 0 CHADMN Cc1cc(CNCc2coc3ccccc23)c(C)o1 ZINC000121435360 1122894795 /nfs/dbraw/zinc/89/47/95/1122894795.db2.gz LCAUTALNYKGNHW-UHFFFAOYSA-N 0 1 255.317 3.932 20 0 CHADMN C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccc(O)c(F)c1 ZINC000894706032 1122895936 /nfs/dbraw/zinc/89/59/36/1122895936.db2.gz CNLMMJZFLSIBAC-ONGXEEELSA-N 0 1 291.288 3.694 20 0 CHADMN COC(=O)[C@@]1(NC[C@@H]2CCCC[C@@H]2C)CC[C@@H](C)CC1 ZINC001195970380 1122898831 /nfs/dbraw/zinc/89/88/31/1122898831.db2.gz MCNDHNSMRKNOHJ-JKQORVJESA-N 0 1 281.440 3.524 20 0 CHADMN CC(C)(C)c1coc(CN2C[C@@H]3CCCC[C@@H]3C2)n1 ZINC000894724202 1122900230 /nfs/dbraw/zinc/90/02/30/1122900230.db2.gz VILIFMSSIAKPDU-BETUJISGSA-N 0 1 262.397 3.594 20 0 CHADMN C[C@@H]1CCC[C@H](CN2Cc3ccccc3NC(=O)[C@H]2C)C1 ZINC001196014749 1122901817 /nfs/dbraw/zinc/90/18/17/1122901817.db2.gz XQYGEMFAEUBREG-KFWWJZLASA-N 0 1 286.419 3.656 20 0 CHADMN CCN(CCCc1ccsc1)[C@H](C)C(=O)OC(C)(C)C ZINC001196056931 1122903038 /nfs/dbraw/zinc/90/30/38/1122903038.db2.gz NOTIQXWPSPDLNW-CYBMUJFWSA-N 0 1 297.464 3.733 20 0 CHADMN CSc1ccc(CN2CCC(c3cccnc3)CC2)o1 ZINC000894766308 1122903594 /nfs/dbraw/zinc/90/35/94/1122903594.db2.gz PHYNBUITAPGZPM-UHFFFAOYSA-N 0 1 288.416 3.776 20 0 CHADMN CC[C@H](c1cccc(OC)c1)N(C)Cc1[nH]nc(C)c1C ZINC000894785700 1122905873 /nfs/dbraw/zinc/90/58/73/1122905873.db2.gz ZWTLMITXNIWXAE-QGZVFWFLSA-N 0 1 287.407 3.618 20 0 CHADMN Cc1[nH]nc(CN2CCCSc3ccccc32)c1C ZINC000894788213 1122906113 /nfs/dbraw/zinc/90/61/13/1122906113.db2.gz WAHRNUYKCOHYDH-UHFFFAOYSA-N 0 1 273.405 3.529 20 0 CHADMN Cc1ccc([C@H]([NH2+]Cc2cc3ccccc3o2)C(=O)[O-])cc1 ZINC000426711573 1122910740 /nfs/dbraw/zinc/91/07/40/1122910740.db2.gz PGPFLELJGPDJIQ-KRWDZBQOSA-N 0 1 295.338 3.657 20 0 CHADMN O=C([O-])[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1cccs1 ZINC000426799065 1122917015 /nfs/dbraw/zinc/91/70/15/1122917015.db2.gz HFTIICWUKHEDLC-INIZCTEOSA-N 0 1 297.379 3.817 20 0 CHADMN Oc1cccc(CN[C@@H]2CSCCc3ccccc32)c1 ZINC000154441832 1129086899 /nfs/dbraw/zinc/08/68/99/1129086899.db2.gz TWXMCSLKGBMWBF-QGZVFWFLSA-N 0 1 285.412 3.512 20 0 CHADMN CC(C)CCO[C@@H]1CC[N@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC001196517807 1122924859 /nfs/dbraw/zinc/92/48/59/1122924859.db2.gz FQTSEZLDPRKPCA-KZNAEPCWSA-N 0 1 291.410 3.819 20 0 CHADMN CCO[C@H](CNC1(c2c(F)cccc2F)CCC1)C1CC1 ZINC001196667803 1122929390 /nfs/dbraw/zinc/92/93/90/1122929390.db2.gz YENLUOPMNJEXBT-OAHLLOKOSA-N 0 1 295.373 3.749 20 0 CHADMN CC[C@@H]1CCCN1C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000426992935 1122929589 /nfs/dbraw/zinc/92/95/89/1122929589.db2.gz UTMNNLBEZJTICF-CQSZACIVSA-N 0 1 297.402 3.708 20 0 CHADMN Cc1cscc1NC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000154446727 1129087383 /nfs/dbraw/zinc/08/73/83/1129087383.db2.gz PXBLFCHMTXALRC-UHFFFAOYSA-N 0 1 299.399 3.813 20 0 CHADMN Cn1nc(NC2=CC[C@@H](C(F)(F)F)CC2)c2cccnc21 ZINC001196766895 1122931719 /nfs/dbraw/zinc/93/17/19/1122931719.db2.gz IAWUANCHUNWMTF-SECBINFHSA-N 0 1 296.296 3.627 20 0 CHADMN O=C1[C@H]2CCCCCC2=NN1c1ccccc1C(F)(F)F ZINC000620796607 1129090189 /nfs/dbraw/zinc/09/01/89/1129090189.db2.gz RXBXXUPARWERMA-JTQLQIEISA-N 0 1 296.292 3.988 20 0 CHADMN O=c1c2c([nH]n1-c1ccccc1C(F)(F)F)CCCCC2 ZINC000620796607 1129090191 /nfs/dbraw/zinc/09/01/91/1129090191.db2.gz RXBXXUPARWERMA-JTQLQIEISA-N 0 1 296.292 3.988 20 0 CHADMN Cc1c(CN2CCC[C@@H]2c2ccc(Cl)cc2)cnn1C ZINC000507155196 1122933549 /nfs/dbraw/zinc/93/35/49/1122933549.db2.gz NIFQJXLPPSLMFO-MRXNPFEDSA-N 0 1 289.810 3.719 20 0 CHADMN Cc1[nH]nc2ncc(CN3CCC[C@@H]3c3ccsc3)cc12 ZINC000507174448 1122936659 /nfs/dbraw/zinc/93/66/59/1122936659.db2.gz QUIMCFBOJQJVSZ-OAHLLOKOSA-N 0 1 298.415 3.665 20 0 CHADMN CO[C@@H]1CC[C@@H](C)N(Cc2nc3cc(C)ccc3s2)C1 ZINC001196888511 1122937062 /nfs/dbraw/zinc/93/70/62/1122937062.db2.gz OHXZYYXANGKSOI-CHWSQXEVSA-N 0 1 290.432 3.604 20 0 CHADMN Cc1cscc1NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000154612827 1129090234 /nfs/dbraw/zinc/09/02/34/1129090234.db2.gz CGUQYAQXENPOKG-UHFFFAOYSA-N 0 1 283.356 3.699 20 0 CHADMN CC[N@@H+](Cc1ccccc1OCc1ccncc1)C1CC1 ZINC000507225400 1122939914 /nfs/dbraw/zinc/93/99/14/1122939914.db2.gz CSLQNJJXRQTVDY-UHFFFAOYSA-N 0 1 282.387 3.645 20 0 CHADMN Cc1nocc1CN(Cc1ccc(F)cc1)C(C)C ZINC000507228756 1122941181 /nfs/dbraw/zinc/94/11/81/1122941181.db2.gz KKKRQGTZOPKJJF-UHFFFAOYSA-N 0 1 262.328 3.533 20 0 CHADMN Cc1c(Cl)ccc2c1CN(C[C@@H]1CC(C)(C)CO1)CC2 ZINC001197176839 1122947232 /nfs/dbraw/zinc/94/72/32/1122947232.db2.gz FCVJSKWVXYMLOW-AWEZNQCLSA-N 0 1 293.838 3.822 20 0 CHADMN CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000427208630 1122950457 /nfs/dbraw/zinc/95/04/57/1122950457.db2.gz GZMOTDFWJUOZFC-MLGOLLRUSA-N 0 1 285.391 3.604 20 0 CHADMN Cc1oc2ccc(NC(=O)[C@@H]3CCCN3C3CC3)cc2c1C ZINC000427196458 1122950752 /nfs/dbraw/zinc/95/07/52/1122950752.db2.gz LLGWDVKACTUNSY-INIZCTEOSA-N 0 1 298.386 3.615 20 0 CHADMN Cc1ccc2[nH]c(-c3ccc(F)c(O)c3F)nc2c1F ZINC001251234638 1122954063 /nfs/dbraw/zinc/95/40/63/1122954063.db2.gz GKTBWWKHDFLFTC-UHFFFAOYSA-N 0 1 278.233 3.661 20 0 CHADMN CC(C)(C)c1ccc(-c2ccc(C[N@H+]3CC[C@H](O)C3)o2)cc1 ZINC000507440916 1122954883 /nfs/dbraw/zinc/95/48/83/1122954883.db2.gz KPASJAVGVQGJJL-INIZCTEOSA-N 0 1 299.414 3.811 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccc(C)c(F)c1 ZINC000507462468 1122958569 /nfs/dbraw/zinc/95/85/69/1122958569.db2.gz PAFSGZWZMOMTLF-ZDUSSCGKSA-N 0 1 272.367 3.942 20 0 CHADMN CCc1cccnc1[C@@H](C)NCc1ccc(F)c(F)c1 ZINC000507507074 1122961463 /nfs/dbraw/zinc/96/14/63/1122961463.db2.gz HEEQTEOEUNFDEP-LLVKDONJSA-N 0 1 276.330 3.773 20 0 CHADMN CC[C@H]1COCCN1Cc1ccc(C2CCC2)cc1 ZINC000507579985 1122965887 /nfs/dbraw/zinc/96/58/87/1122965887.db2.gz FJEZQMFTOUUIJK-KRWDZBQOSA-N 0 1 259.393 3.565 20 0 CHADMN Cc1nc([C@@H]2CCCN2CCCc2ccsc2)[nH]c1C ZINC001197710502 1122967677 /nfs/dbraw/zinc/96/76/77/1122967677.db2.gz KDHOKEUUDOHQSP-HNNXBMFYSA-N 0 1 289.448 3.858 20 0 CHADMN Cn1cc(CN[C@@H]2CCc3c2cc(Cl)cc3Cl)cn1 ZINC000154650677 1129089874 /nfs/dbraw/zinc/08/98/74/1129089874.db2.gz VSYCFYCXPYLWGC-CQSZACIVSA-N 0 1 296.201 3.504 20 0 CHADMN CC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(C)o2)c2ccccc21 ZINC000334315066 1122986157 /nfs/dbraw/zinc/98/61/57/1122986157.db2.gz NAIUNPHFKAEEJW-XJKSGUPXSA-N 0 1 298.386 3.737 20 0 CHADMN Cc1cc(C)cc(C2CCN(Cc3cnc(C)cn3)CC2)c1 ZINC001198467660 1122993553 /nfs/dbraw/zinc/99/35/53/1122993553.db2.gz OGAHIHYFTLUAMG-UHFFFAOYSA-N 0 1 295.430 3.781 20 0 CHADMN CCCCCCN(C/C=C(/C)C(=O)OC)Cc1ccco1 ZINC001198507142 1122996043 /nfs/dbraw/zinc/99/60/43/1122996043.db2.gz GHHJXCXQPZURSV-GDNBJRDFSA-N 0 1 293.407 3.781 20 0 CHADMN Cc1ccc(C)c(CN[C@@H](C)c2ncccc2C)c1 ZINC001198640881 1123003343 /nfs/dbraw/zinc/00/33/43/1123003343.db2.gz JLDYEBSQPOBRLT-HNNXBMFYSA-N 0 1 254.377 3.858 20 0 CHADMN COc1cccc(CN[C@@H](C)c2ncccc2C)c1C ZINC001198641642 1123003841 /nfs/dbraw/zinc/00/38/41/1123003841.db2.gz TVSKFPKAXASQRK-AWEZNQCLSA-N 0 1 270.376 3.558 20 0 CHADMN CC[C@H](F)CN1[C@H](C)c2ccc(OC)cc2C[C@@H]1C ZINC000440526017 1123011152 /nfs/dbraw/zinc/01/11/52/1123011152.db2.gz WMIYQJLHGXOFAP-SCRDCRAPSA-N 0 1 265.372 3.751 20 0 CHADMN CCc1ccc2c(c1)CN(Cc1cncc(C)c1)CC2 ZINC001198851892 1123012198 /nfs/dbraw/zinc/01/21/98/1123012198.db2.gz MECMQUHHOLEWGD-UHFFFAOYSA-N 0 1 266.388 3.511 20 0 CHADMN C[C@@H](NCc1ccc(OCC(F)F)cc1)c1ccccn1 ZINC001198935187 1123015758 /nfs/dbraw/zinc/01/57/58/1123015758.db2.gz KTKXUOISFHFKAL-GFCCVEGCSA-N 0 1 292.329 3.576 20 0 CHADMN COc1ccc(OC)c(CNCc2cccc(C)c2C)c1 ZINC001199093229 1123020564 /nfs/dbraw/zinc/02/05/64/1123020564.db2.gz GBMXCZWYQKKEIH-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN CCC[C@H](C(=O)[O-])[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000519758127 1123024069 /nfs/dbraw/zinc/02/40/69/1123024069.db2.gz HVSLQSQWTQIGMM-OAHLLOKOSA-N 0 1 293.794 3.682 20 0 CHADMN Cc1ccc(CN2CCC(F)(c3cccnc3)CC2)c(C)n1 ZINC000334462622 1123029081 /nfs/dbraw/zinc/02/90/81/1123029081.db2.gz XZFKWDHHEIEFBR-UHFFFAOYSA-N 0 1 299.393 3.554 20 0 CHADMN C[C@@H]1CCCCN(Cc2c(Cl)nc3ccccn32)C1 ZINC000776000636 1123034805 /nfs/dbraw/zinc/03/48/05/1123034805.db2.gz YNSLTFJAUMHNLZ-GFCCVEGCSA-N 0 1 277.799 3.610 20 0 CHADMN CCOc1ccccc1CNCc1cccc(CC)c1 ZINC001199639418 1123035575 /nfs/dbraw/zinc/03/55/75/1123035575.db2.gz KOAHWFGFYOCQJL-UHFFFAOYSA-N 0 1 269.388 3.938 20 0 CHADMN O=C(Nc1c(Cl)ccc(O)c1Cl)C1=CC=CC1 ZINC001199694298 1123038603 /nfs/dbraw/zinc/03/86/03/1123038603.db2.gz KUAYFQDSBWIDJL-UHFFFAOYSA-N 0 1 270.115 3.524 20 0 CHADMN CC[C@@H](F)CN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000440784987 1123040202 /nfs/dbraw/zinc/04/02/02/1123040202.db2.gz VXOCVYQJDMRKDM-HIFRSBDPSA-N 0 1 281.346 3.611 20 0 CHADMN C[C@@H]1[C@@H](C)CCN1Cc1coc(-c2c(F)cccc2F)n1 ZINC000154977807 1129094971 /nfs/dbraw/zinc/09/49/71/1129094971.db2.gz VBVWBKCGDPFCMA-WDEREUQCSA-N 0 1 292.329 3.850 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cc(F)cc(Cl)c1 ZINC000416176008 1123047384 /nfs/dbraw/zinc/04/73/84/1123047384.db2.gz IXPRELWJKZAQHU-UHFFFAOYSA-N 0 1 295.745 3.886 20 0 CHADMN OCC1(NCc2csc(C3CCCCC3)n2)CCCC1 ZINC000441007826 1123051617 /nfs/dbraw/zinc/05/16/17/1123051617.db2.gz DGZTUNHGTOYBHU-UHFFFAOYSA-N 0 1 294.464 3.586 20 0 CHADMN Clc1ncccc1CN[C@H](c1ccccc1)C1CC1 ZINC000105416252 1123052271 /nfs/dbraw/zinc/05/22/71/1123052271.db2.gz MNBYICNJUSLSIC-OAHLLOKOSA-N 0 1 272.779 3.976 20 0 CHADMN c1ccc([C@@H]2CCN(Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000155070025 1129096793 /nfs/dbraw/zinc/09/67/93/1129096793.db2.gz ZGCDNERWMBMHJG-OAHLLOKOSA-N 0 1 277.371 3.552 20 0 CHADMN Cc1ncncc1[C@H](C)N[C@@H]1CCc2c1cccc2Cl ZINC000520252996 1123069506 /nfs/dbraw/zinc/06/95/06/1123069506.db2.gz MZQGRULGGISNRC-MEDUHNTESA-N 0 1 287.794 3.777 20 0 CHADMN Clc1cccc(CNc2ccc3nn[nH]c3c2)c1Cl ZINC001201150941 1123076512 /nfs/dbraw/zinc/07/65/12/1123076512.db2.gz PTGDWRHSCMDFQH-UHFFFAOYSA-N 0 1 293.157 3.877 20 0 CHADMN Clc1cccc(CNc2ccc3n[nH]nc3c2)c1Cl ZINC001201150941 1123076517 /nfs/dbraw/zinc/07/65/17/1123076517.db2.gz PTGDWRHSCMDFQH-UHFFFAOYSA-N 0 1 293.157 3.877 20 0 CHADMN CC(C)(C)c1ccncc1CNCc1ccc(O)c(F)c1 ZINC000894907726 1123081990 /nfs/dbraw/zinc/08/19/90/1123081990.db2.gz TYBRNYBZMMUDMJ-UHFFFAOYSA-N 0 1 288.366 3.514 20 0 CHADMN CCCc1ccc(CNCc2cn3ccccc3n2)cc1 ZINC000620868186 1129097733 /nfs/dbraw/zinc/09/77/33/1129097733.db2.gz WMNKYERKKJGTRP-UHFFFAOYSA-N 0 1 279.387 3.577 20 0 CHADMN CCc1cccc(NC(=O)c2c(O)cccc2Cl)c1 ZINC000049082526 1123084469 /nfs/dbraw/zinc/08/44/69/1123084469.db2.gz LZLHMEJYVJHMRZ-UHFFFAOYSA-N 0 1 275.735 3.860 20 0 CHADMN Cc1ccc(COc2cccc(NCc3cnc[nH]3)c2)cc1 ZINC001201273404 1123085387 /nfs/dbraw/zinc/08/53/87/1123085387.db2.gz RBOVGVGCLZIMPG-UHFFFAOYSA-N 0 1 293.370 3.909 20 0 CHADMN CCC(C)(C)CCN1CCOC[C@@H]1c1ccc(C)o1 ZINC000441409931 1123085779 /nfs/dbraw/zinc/08/57/79/1123085779.db2.gz KHXUKLLEHIJBCC-CQSZACIVSA-N 0 1 265.397 3.788 20 0 CHADMN Fc1ncc(C(F)(F)F)cc1NC1=CCSCC1 ZINC001201334324 1123089243 /nfs/dbraw/zinc/08/92/43/1123089243.db2.gz SRBVLWFXKYFJCR-UHFFFAOYSA-N 0 1 278.274 3.672 20 0 CHADMN c1cc2cc(CNc3ccc4c[nH]nc4c3)ccc2[nH]1 ZINC000083456156 1123092865 /nfs/dbraw/zinc/09/28/65/1123092865.db2.gz HCKWAWNPNFCMCX-UHFFFAOYSA-N 0 1 262.316 3.656 20 0 CHADMN CCOc1ccc(CN2CCC[C@H](CC(F)(F)F)C2)o1 ZINC000894974300 1123096248 /nfs/dbraw/zinc/09/62/48/1123096248.db2.gz DMUSMYXWJQYXKW-LLVKDONJSA-N 0 1 291.313 3.843 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C3(F)CCCC3)c2C)o1 ZINC000776183375 1123096398 /nfs/dbraw/zinc/09/63/98/1123096398.db2.gz LMUSUNWHXNXUMW-UHFFFAOYSA-N 0 1 291.326 3.507 20 0 CHADMN c1cncc(CN(Cc2cccnc2)C[C@@H]2CC=CCC2)c1 ZINC001201419115 1123097516 /nfs/dbraw/zinc/09/75/16/1123097516.db2.gz VMFLEWGNVGOZPX-QGZVFWFLSA-N 0 1 293.414 3.835 20 0 CHADMN c1ccc(-c2ncc3c(n2)CN(C[C@@H]2CC=CCC2)C3)cc1 ZINC001201430180 1123100145 /nfs/dbraw/zinc/10/01/45/1123100145.db2.gz ZVCNGKVYTQSERP-OAHLLOKOSA-N 0 1 291.398 3.816 20 0 CHADMN Cc1coc(CN2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000895034446 1123103172 /nfs/dbraw/zinc/10/31/72/1123103172.db2.gz SCUDLPNTATVJHP-NSHDSACASA-N 0 1 261.287 3.752 20 0 CHADMN CCCOc1ccc(Cl)cc1Nc1ccnc(CO)c1 ZINC001201444071 1123105533 /nfs/dbraw/zinc/10/55/33/1123105533.db2.gz MPDSFSXHEJXUQQ-UHFFFAOYSA-N 0 1 292.766 3.760 20 0 CHADMN Cc1cccc2c1nc(N)n2-c1ccc(NC(C)C)cc1 ZINC001201487387 1123107424 /nfs/dbraw/zinc/10/74/24/1123107424.db2.gz HAOOHHZYVGNQEH-UHFFFAOYSA-N 0 1 280.375 3.736 20 0 CHADMN CC(C)[C@H](N[C@H]1CCC12CCC2)c1nc(C2CC2)no1 ZINC000328640315 1123107970 /nfs/dbraw/zinc/10/79/70/1123107970.db2.gz CLVMRXUQQSDENR-STQMWFEESA-N 0 1 275.396 3.566 20 0 CHADMN COc1cccc2cc([C@@H](C)N[C@H](C)c3cnn(C)c3)oc21 ZINC000268766923 1129099398 /nfs/dbraw/zinc/09/93/98/1129099398.db2.gz QSJXNTHRZYLZCV-VXGBXAGGSA-N 0 1 299.374 3.587 20 0 CHADMN COCc1ccc(CN[C@@H](c2ccccc2)C2CC2)o1 ZINC000268766412 1129099463 /nfs/dbraw/zinc/09/94/63/1129099463.db2.gz BWDOVXRWTPAZEB-KRWDZBQOSA-N 0 1 271.360 3.667 20 0 CHADMN Cc1cc(CN[C@H](C)c2csc(C(F)(F)F)c2)[nH]n1 ZINC000925102897 1123110253 /nfs/dbraw/zinc/11/02/53/1123110253.db2.gz LQHBJTFRCZVMKJ-MRVPVSSYSA-N 0 1 289.326 3.649 20 0 CHADMN COC[C@H](NCc1ccc2scnc2c1)c1ccccc1 ZINC001201504805 1123112684 /nfs/dbraw/zinc/11/26/84/1123112684.db2.gz UWBMTGBDIORLIW-INIZCTEOSA-N 0 1 298.411 3.774 20 0 CHADMN CCCCC[N@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000441435512 1123123480 /nfs/dbraw/zinc/12/34/80/1123123480.db2.gz CIOSKCHOYGAHQS-WBVHZDCISA-N 0 1 261.409 3.947 20 0 CHADMN Fc1ccc(-n2ccc(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)n2)cc1 ZINC000441435151 1123123642 /nfs/dbraw/zinc/12/36/42/1123123642.db2.gz LKXHJPUHQHFQPX-KSSFIOAISA-N 0 1 299.393 3.776 20 0 CHADMN Fc1ccc(-n2ccc(CN3CCC[C@@H]4CCC[C@@H]43)n2)cc1 ZINC000441435151 1123123644 /nfs/dbraw/zinc/12/36/44/1123123644.db2.gz LKXHJPUHQHFQPX-KSSFIOAISA-N 0 1 299.393 3.776 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1C[C@H](C)C[C@H](C)C1 ZINC000015466877 1123127749 /nfs/dbraw/zinc/12/77/49/1123127749.db2.gz WDJGQTYZLYKJFA-GASCZTMLSA-N 0 1 288.435 3.726 20 0 CHADMN Fc1cc2c(cc1F)CN(CCc1ccccc1)CC2 ZINC001201610232 1123131624 /nfs/dbraw/zinc/13/16/24/1123131624.db2.gz RUJBTBGNYCLUAL-UHFFFAOYSA-N 0 1 273.326 3.566 20 0 CHADMN CO[C@@H](CN1CCCC[C@@H]1c1nc2ccccc2[nH]1)C1CC1 ZINC000425470918 1123145722 /nfs/dbraw/zinc/14/57/22/1123145722.db2.gz FWHBDOVPBKSXMJ-SJORKVTESA-N 0 1 299.418 3.515 20 0 CHADMN CC[C@@H](CSC)NCc1nc(-c2cccs2)oc1C ZINC001201770314 1123148304 /nfs/dbraw/zinc/14/83/04/1123148304.db2.gz RLFPIWGECPWKKD-NSHDSACASA-N 0 1 296.461 3.943 20 0 CHADMN CCCCCCN(C)Cc1cn2ccc(C)cc2n1 ZINC001201761685 1123148621 /nfs/dbraw/zinc/14/86/21/1123148621.db2.gz OIBNDBRZDPAZGS-UHFFFAOYSA-N 0 1 259.397 3.655 20 0 CHADMN CC(C)c1nc([C@H](C)NCc2ccc3ccccc3c2)n[nH]1 ZINC001201850347 1123156101 /nfs/dbraw/zinc/15/61/01/1123156101.db2.gz AIZRYAAFDRUENH-ZDUSSCGKSA-N 0 1 294.402 3.932 20 0 CHADMN CN(Cc1nc(N)c2ccccc2n1)C1CCC(C)(C)CC1 ZINC000181421777 1123165573 /nfs/dbraw/zinc/16/55/73/1123165573.db2.gz HZJBNOPWELXWMJ-UHFFFAOYSA-N 0 1 298.434 3.613 20 0 CHADMN Cc1nc(C2(NC[C@@H]3C(C)=CCC[C@H]3C)CCCC2)no1 ZINC000191104316 1123166856 /nfs/dbraw/zinc/16/68/56/1123166856.db2.gz CJYUINIWZCOFCC-UKRRQHHQSA-N 0 1 289.423 3.729 20 0 CHADMN CC(C)(C)CC[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001202114598 1123175655 /nfs/dbraw/zinc/17/56/55/1123175655.db2.gz AQDZHAUKVLERAM-NSHDSACASA-N 0 1 275.318 3.779 20 0 CHADMN CC(C)(C)CCN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001202114598 1123175658 /nfs/dbraw/zinc/17/56/58/1123175658.db2.gz AQDZHAUKVLERAM-NSHDSACASA-N 0 1 275.318 3.779 20 0 CHADMN CCC(CC)N(Cc1nc(CCC(C)C)no1)C1CC1 ZINC000520596814 1123182926 /nfs/dbraw/zinc/18/29/26/1123182926.db2.gz BSGMLMPDZCSYNR-UHFFFAOYSA-N 0 1 279.428 3.811 20 0 CHADMN Cc1ccccc1OC1CCN(CCC(F)(F)F)CC1 ZINC001202283135 1123195594 /nfs/dbraw/zinc/19/55/94/1123195594.db2.gz FRZYVBRKPCSZAF-UHFFFAOYSA-N 0 1 287.325 3.791 20 0 CHADMN CC(=O)C1(c2ccccc2)CCN(CCC(F)(F)F)CC1 ZINC001202346249 1123197262 /nfs/dbraw/zinc/19/72/62/1123197262.db2.gz OOLOBNBHQAKBDS-UHFFFAOYSA-N 0 1 299.336 3.562 20 0 CHADMN FC(F)(F)CCN1CCC[C@@H](Sc2ccncc2)C1 ZINC001202346092 1123197269 /nfs/dbraw/zinc/19/72/69/1123197269.db2.gz JIRJJEGVRFCCMG-GFCCVEGCSA-N 0 1 290.354 3.591 20 0 CHADMN O=C(Nc1ccc(Cl)cc1)Nc1ncc(Cl)cc1O ZINC001202364640 1123202779 /nfs/dbraw/zinc/20/27/79/1123202779.db2.gz OGMOZGQIRSBQDE-UHFFFAOYSA-N 0 1 298.129 3.738 20 0 CHADMN FC(F)(F)CCCN1CC[C@@H]1COCc1ccccc1 ZINC001202424854 1123206117 /nfs/dbraw/zinc/20/61/17/1123206117.db2.gz OPAARYFDYNXGAX-CQSZACIVSA-N 0 1 287.325 3.620 20 0 CHADMN C[C@@H]1C(=O)CCN(CCCC(F)(F)F)C12CCCC2 ZINC001202445349 1123209302 /nfs/dbraw/zinc/20/93/02/1123209302.db2.gz XVVBYBQFNUBAFC-LLVKDONJSA-N 0 1 277.330 3.553 20 0 CHADMN CC(C)(C)[C@H]1CCCC[C@@H]1NCc1nc(C2CC2)no1 ZINC000097324274 1123212163 /nfs/dbraw/zinc/21/21/63/1123212163.db2.gz LQIYSYWNYGPKER-STQMWFEESA-N 0 1 277.412 3.642 20 0 CHADMN C[C@@H](N[C@@H](C)c1cccc(F)c1F)c1ccc[nH]1 ZINC000776310944 1123213345 /nfs/dbraw/zinc/21/33/45/1123213345.db2.gz VHELZSQLLMKDNZ-VHSXEESVSA-N 0 1 250.292 3.705 20 0 CHADMN FC1(F)CCC[C@H]1CCSc1nc(C2CC2)n[nH]1 ZINC000882088536 1123214695 /nfs/dbraw/zinc/21/46/95/1123214695.db2.gz HBYXWNNLPDXOPR-VIFPVBQESA-N 0 1 273.352 3.600 20 0 CHADMN FC1(F)CCC[C@H]1CCSc1n[nH]c(C2CC2)n1 ZINC000882088536 1123214696 /nfs/dbraw/zinc/21/46/96/1123214696.db2.gz HBYXWNNLPDXOPR-VIFPVBQESA-N 0 1 273.352 3.600 20 0 CHADMN CN(Cc1ccc(F)cc1Cl)C[C@@H](O)c1ccccc1 ZINC000107063145 1123216656 /nfs/dbraw/zinc/21/66/56/1123216656.db2.gz XNSMTYKGTNAXFS-MRXNPFEDSA-N 0 1 293.769 3.645 20 0 CHADMN CCOc1ccccc1-c1ccc(F)c(CN(C)C)c1 ZINC000665199368 1123227487 /nfs/dbraw/zinc/22/74/87/1123227487.db2.gz FMZJDLDTMCWKNT-UHFFFAOYSA-N 0 1 273.351 3.953 20 0 CHADMN COc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1F ZINC000070262562 1123231825 /nfs/dbraw/zinc/23/18/25/1123231825.db2.gz PXPQMQKPUNCJJA-UHFFFAOYSA-N 0 1 260.243 3.517 20 0 CHADMN CCCn1cc(CN2CCC[C@H]2/C=C/c2ccccc2)cn1 ZINC000507880011 1123244546 /nfs/dbraw/zinc/24/45/46/1123244546.db2.gz AUHRUQDMNZBTBT-VYENPZKTSA-N 0 1 295.430 3.971 20 0 CHADMN COc1ccc2c(c1)CN([C@@H](C)c1cccc(F)c1)CC2 ZINC000520783158 1123244663 /nfs/dbraw/zinc/24/46/63/1123244663.db2.gz NCFWNIGKHLNBEM-ZDUSSCGKSA-N 0 1 285.362 3.954 20 0 CHADMN Cc1noc([C@H]2CCCCN2CC2CCC(F)(F)CC2)n1 ZINC000334539400 1123246491 /nfs/dbraw/zinc/24/64/91/1123246491.db2.gz BAZIOXFCEHJJER-CYBMUJFWSA-N 0 1 299.365 3.731 20 0 CHADMN Cc1cc(CN[C@@H](CO)c2ccc(F)cc2)ccc1Cl ZINC000507898876 1123246889 /nfs/dbraw/zinc/24/68/89/1123246889.db2.gz OFCOWOUSDCXVMB-INIZCTEOSA-N 0 1 293.769 3.611 20 0 CHADMN CCn1cncc1CN1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000417795760 1123248764 /nfs/dbraw/zinc/24/87/64/1123248764.db2.gz RASYCNYXIDLBRP-GUYCJALGSA-N 0 1 287.382 3.625 20 0 CHADMN COc1cncc(CNCc2ccc(C3CCC3)cc2)c1 ZINC000850278312 1123250630 /nfs/dbraw/zinc/25/06/30/1123250630.db2.gz PNCAXHFBQPAAGF-UHFFFAOYSA-N 0 1 282.387 3.648 20 0 CHADMN COc1ccc(F)cc1CN[C@H](c1cccnc1)C(C)C ZINC000427855248 1123254603 /nfs/dbraw/zinc/25/46/03/1123254603.db2.gz SCNZMSZBEAECAQ-KRWDZBQOSA-N 0 1 288.366 3.716 20 0 CHADMN Cc1cc(C)cc(CNCc2cccnc2Cl)c1 ZINC000850352297 1123254836 /nfs/dbraw/zinc/25/48/36/1123254836.db2.gz RJGVCWBWYBLFGB-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN O[C@H]1C[C@H](NCc2ccc(Cl)c(F)c2)c2ccccc21 ZINC000850371383 1123258230 /nfs/dbraw/zinc/25/82/30/1123258230.db2.gz IUYCDAHNSAQAND-HOTGVXAUSA-N 0 1 291.753 3.747 20 0 CHADMN CCc1cccc(F)c1CN[C@H]1C[C@H](O)c2ccccc21 ZINC000850374590 1123260110 /nfs/dbraw/zinc/26/01/10/1123260110.db2.gz MWMANLUSPIMXMK-ROUUACIJSA-N 0 1 285.362 3.656 20 0 CHADMN OC1(C2CCN(Cc3ccc(C(F)F)c(F)c3)CC2)CC1 ZINC000895139031 1123268874 /nfs/dbraw/zinc/26/88/74/1123268874.db2.gz AEVBYOKXPHPKJF-UHFFFAOYSA-N 0 1 299.336 3.500 20 0 CHADMN CCc1nc(CN[C@@H](C)Cc2ccc3c(c2)CCCC3)co1 ZINC000850473205 1123272523 /nfs/dbraw/zinc/27/25/23/1123272523.db2.gz VPNLDAJKJAURCI-AWEZNQCLSA-N 0 1 298.430 3.837 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2c2ccsc2)nc1 ZINC000156106507 1129110379 /nfs/dbraw/zinc/11/03/79/1129110379.db2.gz KIUVXCKVZHPGAB-HNNXBMFYSA-N 0 1 258.390 3.789 20 0 CHADMN CC[C@H](COCC1CC1)N[C@H](C)c1cccnc1Cl ZINC000850494562 1123275266 /nfs/dbraw/zinc/27/52/66/1123275266.db2.gz PQFIJEKDYRSTEJ-DGCLKSJQSA-N 0 1 282.815 3.591 20 0 CHADMN C[C@H](N[C@@H]1C=CCC1)c1nc2ccc(Cl)cc2n1C ZINC000850508048 1123277264 /nfs/dbraw/zinc/27/72/64/1123277264.db2.gz HTQXMMABDZFZQD-CMPLNLGQSA-N 0 1 275.783 3.596 20 0 CHADMN Cc1cc([C@H](N[C@@H]2C=CCC2)c2cccnc2)ccc1F ZINC000850510377 1123277992 /nfs/dbraw/zinc/27/79/92/1123277992.db2.gz TZKDIELWKFAOAB-AEFFLSMTSA-N 0 1 282.362 3.927 20 0 CHADMN Cc1cc([C@H](N[C@H]2C=CCC2)c2cccnc2)ccc1F ZINC000850510380 1123278234 /nfs/dbraw/zinc/27/82/34/1123278234.db2.gz TZKDIELWKFAOAB-WMZOPIPTSA-N 0 1 282.362 3.927 20 0 CHADMN Fc1ccc2c(c1Cl)[C@@H](N[C@H]1C=CCC1)CC2 ZINC000850510485 1123278325 /nfs/dbraw/zinc/27/83/25/1123278325.db2.gz XCNSLHKFOHFDLZ-JQWIXIFHSA-N 0 1 251.732 3.775 20 0 CHADMN CC[C@@H]1CN(C[C@H](OC(C)C)c2ccccc2)C[C@H](C)O1 ZINC000428224106 1123280416 /nfs/dbraw/zinc/28/04/16/1123280416.db2.gz LSZTWYXQNHMOMC-JQHSSLGASA-N 0 1 291.435 3.652 20 0 CHADMN Oc1ccc2c(c1)[C@H](N[C@H]1C[C@@H](O)c3ccccc31)CCC2 ZINC000850524232 1123280582 /nfs/dbraw/zinc/28/05/82/1123280582.db2.gz BAOOKEGTWSJBIX-CEXWTWQISA-N 0 1 295.382 3.538 20 0 CHADMN CCc1nc(C)c(CN(CC)[C@@H](C)c2cccc(O)c2)o1 ZINC000428210028 1123282360 /nfs/dbraw/zinc/28/23/60/1123282360.db2.gz UMSPDPLKXLLYIB-ZDUSSCGKSA-N 0 1 288.391 3.834 20 0 CHADMN C[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1ccc(Cl)nc1 ZINC000850528812 1123283110 /nfs/dbraw/zinc/28/31/10/1123283110.db2.gz NGFBOPUBOAVWNT-VQISRLSMSA-N 0 1 288.778 3.564 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@H]1C[C@H](O)c2ccccc21 ZINC000850527649 1123283180 /nfs/dbraw/zinc/28/31/80/1123283180.db2.gz BIMSUDVMBHDVOW-KKXDTOCCSA-N 0 1 297.398 3.914 20 0 CHADMN CCC[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1ccccn1 ZINC000850529476 1123283968 /nfs/dbraw/zinc/28/39/68/1123283968.db2.gz RRRMZBYVIVZFGP-RCCFBDPRSA-N 0 1 282.387 3.691 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2C[C@@H](O)c3ccccc32)c(C)n1 ZINC000850530251 1123285435 /nfs/dbraw/zinc/28/54/35/1123285435.db2.gz XVJGWYFZHXCURJ-MORSLUCNSA-N 0 1 282.387 3.527 20 0 CHADMN Fc1cccc2c1CC[C@@H]2N[C@@H]1COCc2ccccc21 ZINC000428232667 1123285612 /nfs/dbraw/zinc/28/56/12/1123285612.db2.gz VJVDUIOWDAGYMM-ZWKOTPCHSA-N 0 1 283.346 3.674 20 0 CHADMN Fc1cccc2c1CC[C@H]2N[C@@H]1COCc2ccccc21 ZINC000428232665 1123285913 /nfs/dbraw/zinc/28/59/13/1123285913.db2.gz VJVDUIOWDAGYMM-QZTJIDSGSA-N 0 1 283.346 3.674 20 0 CHADMN Fc1ccc(CN[C@@H]2CCSc3ccccc32)nc1 ZINC000334661806 1123287909 /nfs/dbraw/zinc/28/79/09/1123287909.db2.gz WKMJGCBGRWCQQH-CQSZACIVSA-N 0 1 274.364 3.547 20 0 CHADMN c1ccc2oc([C@@H]3CCCCN3CC3=CCCOC3)nc2c1 ZINC000335084467 1123296442 /nfs/dbraw/zinc/29/64/42/1123296442.db2.gz BEAWDZHUPGDZAI-INIZCTEOSA-N 0 1 298.386 3.702 20 0 CHADMN CCCN[C@H](C)c1nc(Cc2c(F)cccc2Cl)no1 ZINC000109515331 1123299160 /nfs/dbraw/zinc/29/91/60/1123299160.db2.gz PMFHNFGTPGPAJB-SECBINFHSA-N 0 1 297.761 3.514 20 0 CHADMN CC1(C)CC(C(=O)Nc2cc(Cl)c(O)cc2F)C1 ZINC000335120053 1123303527 /nfs/dbraw/zinc/30/35/27/1123303527.db2.gz JKTNVCYVJZYGPV-UHFFFAOYSA-N 0 1 271.719 3.559 20 0 CHADMN Cc1ccccc1C(C)(C)N[C@H](c1nccn1C)C1CC1 ZINC000639211484 1123304297 /nfs/dbraw/zinc/30/42/97/1123304297.db2.gz TZURXEGOPIVWAY-INIZCTEOSA-N 0 1 283.419 3.705 20 0 CHADMN Cc1nnc([C@H](C)N2CCC[C@]3(CC=CCC3)C2)s1 ZINC000335143879 1123309907 /nfs/dbraw/zinc/30/99/07/1123309907.db2.gz LCQQKLCLRCPZOX-SWLSCSKDSA-N 0 1 277.437 3.730 20 0 CHADMN Cc1nc(C)c(CN2CC3(CCCC3)OC(C)(C)C2)s1 ZINC000190982677 1123311449 /nfs/dbraw/zinc/31/14/49/1123311449.db2.gz BSYGBAHANLOMKC-UHFFFAOYSA-N 0 1 294.464 3.684 20 0 CHADMN Cc1cc(CN[C@@H]2CCCOc3cc(F)ccc32)ccn1 ZINC000335163559 1123317814 /nfs/dbraw/zinc/31/78/14/1123317814.db2.gz JLJLZCGZDCZJCD-MRXNPFEDSA-N 0 1 286.350 3.533 20 0 CHADMN CCCc1nc(CN2CC[C@H](C3CCC3)C2)cs1 ZINC000665284209 1123317999 /nfs/dbraw/zinc/31/79/99/1123317999.db2.gz FJBQPUWQLUOHOU-ZDUSSCGKSA-N 0 1 264.438 3.718 20 0 CHADMN Cc1nn(C)cc1[C@@H](C)N[C@@H]1CCc2sc(Cl)cc21 ZINC000335183509 1123324547 /nfs/dbraw/zinc/32/45/47/1123324547.db2.gz YJUBRDVCCDXCHT-PRHODGIISA-N 0 1 295.839 3.782 20 0 CHADMN O=C(OCc1cc(C2CC2)[nH]n1)C1CCC(C2CC2)CC1 ZINC000851118718 1123325376 /nfs/dbraw/zinc/32/53/76/1123325376.db2.gz FFRWQVAGBJQXOX-UHFFFAOYSA-N 0 1 288.391 3.547 20 0 CHADMN CC(C)(C)c1nc[nH]c1C(=O)Nc1ccc(C(F)F)cc1 ZINC000885584998 1123325786 /nfs/dbraw/zinc/32/57/86/1123325786.db2.gz XLFJWGKFZQSTCI-UHFFFAOYSA-N 0 1 293.317 3.897 20 0 CHADMN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@H](C2CCC2)C1 ZINC000665288064 1123326302 /nfs/dbraw/zinc/32/63/02/1123326302.db2.gz BVAFFDHPIIMVOV-JSGCOSHPSA-N 0 1 297.402 3.518 20 0 CHADMN CCCc1nc(C)c(CN2Cc3ccccc3C[C@H]2C)o1 ZINC000428254984 1123328980 /nfs/dbraw/zinc/32/89/80/1123328980.db2.gz WPUCEHSKECFCLT-CYBMUJFWSA-N 0 1 284.403 3.882 20 0 CHADMN CCCOc1ccc(CN[C@@H](C)c2ccccc2F)cn1 ZINC000156646310 1129114634 /nfs/dbraw/zinc/11/46/34/1129114634.db2.gz DYFFVPLJDOQARI-ZDUSSCGKSA-N 0 1 288.366 3.860 20 0 CHADMN C[C@H](c1noc(-c2ccccc2)n1)N1CC[C@@H](C2CCC2)C1 ZINC000665290346 1123333285 /nfs/dbraw/zinc/33/32/85/1123333285.db2.gz UYHHUUYJJQSNRN-CZUORRHYSA-N 0 1 297.402 3.920 20 0 CHADMN Cc1cncc(CN(Cc2ccccc2C)C2CC2)c1 ZINC000442688331 1123334011 /nfs/dbraw/zinc/33/40/11/1123334011.db2.gz CYRWWLPIYSRLLS-UHFFFAOYSA-N 0 1 266.388 3.863 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C3(CC(C)C)CC3)n2)cc1 ZINC000442733939 1123335455 /nfs/dbraw/zinc/33/54/55/1123335455.db2.gz RFNGEHNEMYRGBS-UHFFFAOYSA-N 0 1 298.390 3.545 20 0 CHADMN CC[C@@]1(C)CN(Cc2csc3ccccc23)CCO1 ZINC000442881388 1123346610 /nfs/dbraw/zinc/34/66/10/1123346610.db2.gz ICICTTWNGNCSKT-INIZCTEOSA-N 0 1 275.417 3.902 20 0 CHADMN CO[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)[C@H](C)C1 ZINC000443076355 1123355578 /nfs/dbraw/zinc/35/55/78/1123355578.db2.gz WYFUVANSMHPJMY-NXEZZACHSA-N 0 1 293.354 3.766 20 0 CHADMN CO[C@@H]1CCN(Cc2ccc(C(F)(F)F)s2)[C@H](C)C1 ZINC000443076355 1123355580 /nfs/dbraw/zinc/35/55/80/1123355580.db2.gz WYFUVANSMHPJMY-NXEZZACHSA-N 0 1 293.354 3.766 20 0 CHADMN c1ccc(-c2nnc(CN3CCCC34CCC4)s2)cc1 ZINC000335311135 1123356315 /nfs/dbraw/zinc/35/63/15/1123356315.db2.gz VZPKHSODZNHRDK-UHFFFAOYSA-N 0 1 285.416 3.724 20 0 CHADMN Cc1ccsc1C[N@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC000383780018 1123366171 /nfs/dbraw/zinc/36/61/71/1123366171.db2.gz WVMVEWQAOXPDEI-UHFFFAOYSA-N 0 1 293.363 3.526 20 0 CHADMN CO[C@H](CN1CCC[C@H]1c1cc(C)on1)C1CCCCC1 ZINC000851717291 1123373823 /nfs/dbraw/zinc/37/38/23/1123373823.db2.gz VWUKKMPQMFSEDO-DLBZAZTESA-N 0 1 292.423 3.715 20 0 CHADMN CCN(Cc1ccc(C)cc1)Cc1cccc(F)n1 ZINC000851738944 1123377444 /nfs/dbraw/zinc/37/74/44/1123377444.db2.gz YFUIQMJAGDYCSW-UHFFFAOYSA-N 0 1 258.340 3.551 20 0 CHADMN CCc1nnc([C@@H](C)N2CCC[C@H](c3ccccc3)CC2)[nH]1 ZINC000851749490 1123379661 /nfs/dbraw/zinc/37/96/61/1123379661.db2.gz ZQLNFEDPMFLAIC-ZBFHGGJFSA-N 0 1 298.434 3.698 20 0 CHADMN Fc1cccc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000851824470 1123383659 /nfs/dbraw/zinc/38/36/59/1123383659.db2.gz HSHYFCBMBUXUGC-QGZVFWFLSA-N 0 1 282.362 3.873 20 0 CHADMN Fc1cccc(CN(C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000851824470 1123383661 /nfs/dbraw/zinc/38/36/61/1123383661.db2.gz HSHYFCBMBUXUGC-QGZVFWFLSA-N 0 1 282.362 3.873 20 0 CHADMN Cc1nc(CN(C)[C@H](C)Cc2ccc(C)cc2)cs1 ZINC000156859995 1129118297 /nfs/dbraw/zinc/11/82/97/1129118297.db2.gz KNZJVPSWOZVQAU-CYBMUJFWSA-N 0 1 274.433 3.823 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)NCc2cccc(F)n2)c1 ZINC000851899174 1123387056 /nfs/dbraw/zinc/38/70/56/1123387056.db2.gz ZBFQUJHEKDHYQK-CYBMUJFWSA-N 0 1 288.366 3.859 20 0 CHADMN c1ccc([C@H]2CCN(Cc3nsc4ccccc34)C2)nc1 ZINC000852007616 1123393253 /nfs/dbraw/zinc/39/32/53/1123393253.db2.gz DAMAIIULHYGDTE-ZDUSSCGKSA-N 0 1 295.411 3.681 20 0 CHADMN CC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2C)CCO1 ZINC000443415777 1123395585 /nfs/dbraw/zinc/39/55/85/1123395585.db2.gz RKEXEBVHDOSMJS-AWEZNQCLSA-N 0 1 287.325 3.625 20 0 CHADMN CC[C@H](C)N(CC)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000852291026 1123401431 /nfs/dbraw/zinc/40/14/31/1123401431.db2.gz OYJVXNLZJZESGG-QMMMGPOBSA-N 0 1 297.752 3.713 20 0 CHADMN C[C@H]1c2ccccc2C[C@H]1NCc1csc(Cl)n1 ZINC000852468720 1123405273 /nfs/dbraw/zinc/40/52/73/1123405273.db2.gz SCICUOYORCTDAE-TVQRCGJNSA-N 0 1 278.808 3.615 20 0 CHADMN Clc1ccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)cn1 ZINC000852595181 1123409815 /nfs/dbraw/zinc/40/98/15/1123409815.db2.gz GQZRGCWKRJSILT-GJZGRUSLSA-N 0 1 294.826 3.516 20 0 CHADMN CC[C@@H]1CC[C@@H](C)N(Cc2ncc(C(C)C)o2)C1 ZINC000852592136 1123410234 /nfs/dbraw/zinc/41/02/34/1123410234.db2.gz HGRGVCJAYIEUTD-CHWSQXEVSA-N 0 1 250.386 3.809 20 0 CHADMN O=c1cc(C2CCC2)[nH]n1-c1cccc(Cl)c1Cl ZINC000634594801 1129120026 /nfs/dbraw/zinc/12/00/26/1129120026.db2.gz HVSNIXNUINTWKH-UHFFFAOYSA-N 0 1 283.158 3.886 20 0 CHADMN CCCCCC[C@@H](CC)CN(C)[C@@H](C)c1nncn1C ZINC000852724570 1123413789 /nfs/dbraw/zinc/41/37/89/1123413789.db2.gz GWQSXWSBICVJKQ-LSDHHAIUSA-N 0 1 280.460 3.805 20 0 CHADMN C[C@@H]1CC[C@H]2C(=O)N(Cc3ccc(Cl)cc3Cl)N=C12 ZINC000634591887 1129120073 /nfs/dbraw/zinc/12/00/73/1129120073.db2.gz RDQQWIBSSLADMQ-LDYMZIIASA-N 0 1 297.185 3.738 20 0 CHADMN C[C@@H]1CCc2c(=O)n(Cc3ccc(Cl)cc3Cl)[nH]c21 ZINC000634591887 1129120076 /nfs/dbraw/zinc/12/00/76/1129120076.db2.gz RDQQWIBSSLADMQ-LDYMZIIASA-N 0 1 297.185 3.738 20 0 CHADMN CC1=C[C@H](C)C[C@@H](CN(C)Cc2nccs2)C1 ZINC000428279093 1123415308 /nfs/dbraw/zinc/41/53/08/1123415308.db2.gz VDHNVBMZQUMKAR-WCQYABFASA-N 0 1 250.411 3.567 20 0 CHADMN CC[C@@H](N[C@H](C)c1ccc2c(c1)CCCO2)c1ccn(C)n1 ZINC000853240010 1123429369 /nfs/dbraw/zinc/42/93/69/1123429369.db2.gz FHBGMCBKKNPLOP-CZUORRHYSA-N 0 1 299.418 3.547 20 0 CHADMN CC1(C)C[C@H](NCc2cncc(F)c2)c2ccccc2O1 ZINC000335790587 1123431013 /nfs/dbraw/zinc/43/10/13/1123431013.db2.gz HNRFWHBJZCZEEZ-HNNXBMFYSA-N 0 1 286.350 3.613 20 0 CHADMN C[C@@H]1CN(Cc2c[nH]nc2-c2cccs2)CCC1(F)F ZINC000335835670 1123441283 /nfs/dbraw/zinc/44/12/83/1123441283.db2.gz AERYOFVFXMLGDT-SNVBAGLBSA-N 0 1 297.374 3.615 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC[C@@H]2c2cccs2)cn1 ZINC000335876856 1123452966 /nfs/dbraw/zinc/45/29/66/1123452966.db2.gz ZVBJQOJIMSDXAU-TZMCWYRMSA-N 0 1 273.405 3.745 20 0 CHADMN C[C@H](NCCOC1CCCCC1)c1c(F)cccc1F ZINC000111636281 1123457545 /nfs/dbraw/zinc/45/75/45/1123457545.db2.gz KBQDNNQZPFYHRR-LBPRGKRZSA-N 0 1 283.362 3.965 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC[C@H]2c2ccsc2)cn1 ZINC000335891870 1123460041 /nfs/dbraw/zinc/46/00/41/1123460041.db2.gz COESTUSECMOJMM-DOMZBBRYSA-N 0 1 273.405 3.745 20 0 CHADMN Fc1ccc2nc(-c3ccnc4ccccc43)[nH]c2c1 ZINC000113650117 1123469429 /nfs/dbraw/zinc/46/94/29/1123469429.db2.gz GRJVZHYCVZCMAS-UHFFFAOYSA-N 0 1 263.275 3.917 20 0 CHADMN CC(C)Cc1ccc(CN[C@@H]2C[C@H](O)c3ccccc32)cn1 ZINC000895369343 1123470052 /nfs/dbraw/zinc/47/00/52/1123470052.db2.gz QDDGMNAVZHFGLL-MOPGFXCFSA-N 0 1 296.414 3.548 20 0 CHADMN CC[C@H](NC)c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC000854149358 1123470889 /nfs/dbraw/zinc/47/08/89/1123470889.db2.gz ATDNVEBVJPBNIA-JTQLQIEISA-N 0 1 286.162 3.714 20 0 CHADMN CC[C@H](NC)c1nc(-c2ccc(C(C)(F)F)cc2)no1 ZINC000854158569 1123472024 /nfs/dbraw/zinc/47/20/24/1123472024.db2.gz ZYHZNDUDSDOQJC-NSHDSACASA-N 0 1 281.306 3.519 20 0 CHADMN CSc1ccc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)o1 ZINC000895389679 1123474248 /nfs/dbraw/zinc/47/42/48/1123474248.db2.gz PELATGSKKPBRRX-NXEZZACHSA-N 0 1 275.364 3.725 20 0 CHADMN Cc1coc(CN(C)Cc2ccc3cc[nH]c3c2)c1 ZINC000895469523 1123483851 /nfs/dbraw/zinc/48/38/51/1123483851.db2.gz ZTQRLVVXVHPCCW-UHFFFAOYSA-N 0 1 254.333 3.701 20 0 CHADMN CC1(C)CCC[C@H]1CCNCc1nnc(C2CC2)s1 ZINC000895544841 1123489902 /nfs/dbraw/zinc/48/99/02/1123489902.db2.gz FXNUBHZTWKWJAS-LBPRGKRZSA-N 0 1 279.453 3.722 20 0 CHADMN C[C@@H](NC(=O)/C=C/[C@]1(C)CC[C@@H](C)C1(C)C)c1ncc[nH]1 ZINC000854594134 1123489868 /nfs/dbraw/zinc/48/98/68/1123489868.db2.gz FHMSNDMNYPIHPJ-DPAOCZMESA-N 0 1 289.423 3.606 20 0 CHADMN CC(C)(C)c1ncc(CN2CCC[C@@H](CF)C2)s1 ZINC000895545468 1123491413 /nfs/dbraw/zinc/49/14/13/1123491413.db2.gz DWTRVCQHPFESAY-NSHDSACASA-N 0 1 270.417 3.622 20 0 CHADMN CC(C)(C)c1ncc(CN2CCC[C@H](CF)C2)s1 ZINC000895545466 1123491517 /nfs/dbraw/zinc/49/15/17/1123491517.db2.gz DWTRVCQHPFESAY-LLVKDONJSA-N 0 1 270.417 3.622 20 0 CHADMN FC[C@@H]1CCN(Cc2cscc2C(F)(F)F)C1 ZINC000895574023 1123492324 /nfs/dbraw/zinc/49/23/24/1123492324.db2.gz UKVBMEOYTPNBQW-QMMMGPOBSA-N 0 1 267.291 3.558 20 0 CHADMN C[C@H](c1cccc2ccccc21)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000398936930 1123497264 /nfs/dbraw/zinc/49/72/64/1123497264.db2.gz UXTUGORXDMJYOK-IIAWOOMASA-N 0 1 297.398 3.943 20 0 CHADMN CCn1cc(CN[C@@H]2CCc3ccc(Cl)cc32)c(C)n1 ZINC000895666637 1123504354 /nfs/dbraw/zinc/50/43/54/1123504354.db2.gz VFNGXDRNYQTBBD-MRXNPFEDSA-N 0 1 289.810 3.642 20 0 CHADMN C[C@H](NC1CCC(c2ccc(O)cc2)CC1)C(F)F ZINC000895730335 1123508998 /nfs/dbraw/zinc/50/89/98/1123508998.db2.gz QFELGUCSBZEXFZ-ZBOXLXRLSA-N 0 1 269.335 3.662 20 0 CHADMN Cc1cc([C@H](C)[N@H+](C)C[C@@H](C)C(C)(C)C)oc1C(=O)[O-] ZINC000634697353 1129126206 /nfs/dbraw/zinc/12/62/06/1129126206.db2.gz HKYGVOGMVAGXEC-NEPJUHHUSA-N 0 1 281.396 3.961 20 0 CHADMN CC(C)(C)[C@H]1C[C@H](NCc2cc(C3CC3)no2)CS1 ZINC000895763731 1123511703 /nfs/dbraw/zinc/51/17/03/1123511703.db2.gz AUHBVRMVFWJRSX-SMDDNHRTSA-N 0 1 280.437 3.562 20 0 CHADMN CCC[C@H](Cc1ccccc1)N[C@H](C)c1ncco1 ZINC000895764040 1123512719 /nfs/dbraw/zinc/51/27/19/1123512719.db2.gz DVSDLIAQYFRPLW-UKRRQHHQSA-N 0 1 258.365 3.737 20 0 CHADMN CCN(c1ccc(N[C@@H](C)[C@H](C)OC)cc1)C(C)C ZINC000776802781 1123515149 /nfs/dbraw/zinc/51/51/49/1123515149.db2.gz XTXCFUADTJNANY-KBPBESRZSA-N 0 1 264.413 3.757 20 0 CHADMN Cc1cnc(CCN(C)[C@H](C)c2cc(F)ccc2F)s1 ZINC000157358010 1129126625 /nfs/dbraw/zinc/12/66/25/1129126625.db2.gz HLPTYQDWISAQBN-LLVKDONJSA-N 0 1 296.386 3.965 20 0 CHADMN OCC[N@@H+](Cc1coc2ccc(F)cc12)Cc1ccccc1 ZINC001141846996 1123522251 /nfs/dbraw/zinc/52/22/51/1123522251.db2.gz SOEGCJWLHPLGPM-UHFFFAOYSA-N 0 1 299.345 3.566 20 0 CHADMN CC[N@@H+](Cc1coc2ccc(F)cc12)Cc1ccncc1 ZINC001141846965 1123523189 /nfs/dbraw/zinc/52/31/89/1123523189.db2.gz RPKLQRKPSYAIOA-UHFFFAOYSA-N 0 1 284.334 3.989 20 0 CHADMN CCN(Cc1coc2ccc(F)cc12)Cc1ccncc1 ZINC001141846965 1123523192 /nfs/dbraw/zinc/52/31/92/1123523192.db2.gz RPKLQRKPSYAIOA-UHFFFAOYSA-N 0 1 284.334 3.989 20 0 CHADMN CCN(CC(=O)NC(C)(C)CC)[C@@H](C)c1ccc(F)cc1 ZINC000053088262 1123525263 /nfs/dbraw/zinc/52/52/63/1123525263.db2.gz LCJJQFVXMDMPPJ-ZDUSSCGKSA-N 0 1 294.414 3.513 20 0 CHADMN CC(C)c1nnc(CNc2ccc3c(n2)CCCC3)s1 ZINC000895942721 1123533603 /nfs/dbraw/zinc/53/36/03/1123533603.db2.gz KSBPCWRDEQRPLG-UHFFFAOYSA-N 0 1 288.420 3.547 20 0 CHADMN C[C@@H]1c2ccsc2CCN1CCC(=O)c1ccccc1 ZINC000053931742 1123538317 /nfs/dbraw/zinc/53/83/17/1123538317.db2.gz DHCPHQRDIDEMAF-CYBMUJFWSA-N 0 1 285.412 3.940 20 0 CHADMN Cc1ccc(C(=O)CCN(C)Cc2cccs2)cc1 ZINC000053935287 1123538428 /nfs/dbraw/zinc/53/84/28/1123538428.db2.gz KPPUPCPNCULTQN-UHFFFAOYSA-N 0 1 273.401 3.761 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1CC12CCCCC2 ZINC000543707186 1123549884 /nfs/dbraw/zinc/54/98/84/1123549884.db2.gz QZUWENMPOYYWDV-VIFPVBQESA-N 0 1 283.322 3.565 20 0 CHADMN c1nc(C2CC2)oc1CN1CCC2(CCSCC2)CC1 ZINC000639375357 1123596267 /nfs/dbraw/zinc/59/62/67/1123596267.db2.gz UKJAEWAOAGCLAO-UHFFFAOYSA-N 0 1 292.448 3.661 20 0 CHADMN CCN(Cc1cnn(C(C)C)c1)Cc1ccccc1C ZINC000179303533 1123601207 /nfs/dbraw/zinc/60/12/07/1123601207.db2.gz KGQHJNLWWKEVIF-UHFFFAOYSA-N 0 1 271.408 3.795 20 0 CHADMN CC(C)c1ccc(N(C)C(=O)CN2CCC(C)CC2)cc1 ZINC000857471163 1123601699 /nfs/dbraw/zinc/60/16/99/1123601699.db2.gz XTTJAUOWQPQNNK-UHFFFAOYSA-N 0 1 288.435 3.505 20 0 CHADMN Cc1cccnc1[C@@H](NCc1ccsc1)C(C)C ZINC000115622245 1123620380 /nfs/dbraw/zinc/62/03/80/1123620380.db2.gz IEBWVZINIYQZFV-AWEZNQCLSA-N 0 1 260.406 3.938 20 0 CHADMN CC(C)[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(F)cc1 ZINC000857845788 1123621031 /nfs/dbraw/zinc/62/10/31/1123621031.db2.gz BWZFRTKZHAWYDE-HOTGVXAUSA-N 0 1 287.382 3.913 20 0 CHADMN Cc1cnc(CCN(C)Cc2ccccc2Cl)s1 ZINC000157840477 1129133962 /nfs/dbraw/zinc/13/39/62/1129133962.db2.gz UAQNABVKCVYFDW-UHFFFAOYSA-N 0 1 280.824 3.779 20 0 CHADMN Cc1c(N[C@H]2CCCc3cn[nH]c32)cnn1C1CCCC1 ZINC000857864267 1123623164 /nfs/dbraw/zinc/62/31/64/1123623164.db2.gz GSQFTCLJRSGGAY-AWEZNQCLSA-N 0 1 285.395 3.519 20 0 CHADMN Fc1cc(Cl)cc(N[C@H]2CCCc3cn[nH]c32)c1 ZINC000857862345 1123623218 /nfs/dbraw/zinc/62/32/18/1123623218.db2.gz BPKNTFGYWCVNOS-LBPRGKRZSA-N 0 1 265.719 3.692 20 0 CHADMN c1n[nH]c2c1CCC[C@@H]2Nc1cccc(N2CCCCC2)c1 ZINC000857861031 1123623230 /nfs/dbraw/zinc/62/32/30/1123623230.db2.gz PRBNLTPCVHRFHN-KRWDZBQOSA-N 0 1 296.418 3.890 20 0 CHADMN Cc1cccc2c1CCC[C@H]2N[C@@H]1CCCc2c[nH]nc21 ZINC000857873327 1123624732 /nfs/dbraw/zinc/62/47/32/1123624732.db2.gz WSXBKUVMKKCYFY-IAGOWNOFSA-N 0 1 281.403 3.763 20 0 CHADMN Cc1ccccc1CN[C@H]1CCc2ccc(Cl)nc21 ZINC000857901954 1123625219 /nfs/dbraw/zinc/62/52/19/1123625219.db2.gz OYPUWXXMTREUHP-AWEZNQCLSA-N 0 1 272.779 3.821 20 0 CHADMN Cc1ccoc1CN1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017472 1123629086 /nfs/dbraw/zinc/62/90/86/1123629086.db2.gz ZCBNFWHDLUEIAA-MRXNPFEDSA-N 0 1 298.386 3.514 20 0 CHADMN Cc1ccc(CCCN(C)Cc2cn3c(n2)CCCC3)cc1 ZINC000429544534 1123630458 /nfs/dbraw/zinc/63/04/58/1123630458.db2.gz CEMUOPJBVKEHGM-UHFFFAOYSA-N 0 1 297.446 3.592 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1ccnc(F)c1 ZINC000858102526 1123631468 /nfs/dbraw/zinc/63/14/68/1123631468.db2.gz ZHHATZKKHLDUNB-AWEZNQCLSA-N 0 1 288.366 3.925 20 0 CHADMN c1nc(CNCCC(c2ccccc2)c2ccccc2)co1 ZINC000192279490 1123637820 /nfs/dbraw/zinc/63/78/20/1123637820.db2.gz KTMMBRYTPIWKST-UHFFFAOYSA-N 0 1 292.382 3.986 20 0 CHADMN Cc1ccc(F)cc1CN[C@H](C)c1cccc(O)c1 ZINC000192366796 1123639770 /nfs/dbraw/zinc/63/97/70/1123639770.db2.gz JQDVPJDUVVJWKE-GFCCVEGCSA-N 0 1 259.324 3.691 20 0 CHADMN C/C=C\CNCc1nc2ccc(Br)cc2s1 ZINC000858291173 1123642673 /nfs/dbraw/zinc/64/26/73/1123642673.db2.gz PLOJRKOPBXJHGR-IHWYPQMZSA-N 0 1 297.221 3.725 20 0 CHADMN CC(C)c1nc(CN[C@H](C)c2ccc3ccccc3c2)n[nH]1 ZINC000428308845 1123644373 /nfs/dbraw/zinc/64/43/73/1123644373.db2.gz IXZHYEBFAWXYJI-CYBMUJFWSA-N 0 1 294.402 3.932 20 0 CHADMN COCc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)o1 ZINC000858320760 1123645447 /nfs/dbraw/zinc/64/54/47/1123645447.db2.gz HZEAZFCGKVLHOX-INIZCTEOSA-N 0 1 291.778 3.857 20 0 CHADMN C[C@@H](COc1ccccc1)N[C@@H]1CCCc2scnc21 ZINC000858358078 1123647907 /nfs/dbraw/zinc/64/79/07/1123647907.db2.gz MEWODJXQLSTNAX-GXTWGEPZSA-N 0 1 288.416 3.578 20 0 CHADMN C[C@H]1CC[C@@H](c2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000329734747 1123651623 /nfs/dbraw/zinc/65/16/23/1123651623.db2.gz RPRLJAHYSGPBKF-GXSJLCMTSA-N 0 1 268.320 3.517 20 0 CHADMN CCC(CC)c1noc(-c2ccc(Cl)cc2O)n1 ZINC000395278133 1123654784 /nfs/dbraw/zinc/65/47/84/1123654784.db2.gz YZMUWVIOQGRGEK-UHFFFAOYSA-N 0 1 266.728 3.999 20 0 CHADMN CCc1ccc(CN2CC[C@H]2c2ccccc2)nc1 ZINC000339011660 1123656982 /nfs/dbraw/zinc/65/69/82/1123656982.db2.gz QZUSCPVGUHJMSF-KRWDZBQOSA-N 0 1 252.361 3.591 20 0 CHADMN CN[C@H](CC(C)(C)C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000395320473 1123657850 /nfs/dbraw/zinc/65/78/50/1123657850.db2.gz LKOZPXKPBZHDBV-CYBMUJFWSA-N 0 1 291.370 3.881 20 0 CHADMN C/C=C/CN[C@@H](c1nc(Br)cs1)C1CC1 ZINC000858538983 1123659102 /nfs/dbraw/zinc/65/91/02/1123659102.db2.gz ZWBDAAHUSQGWMJ-VMZHVLLKSA-N 0 1 287.226 3.522 20 0 CHADMN c1n[nH]c2c1[C@H](Nc1cccc(C3CCOCC3)c1)CCC2 ZINC000858524038 1123660237 /nfs/dbraw/zinc/66/02/37/1123660237.db2.gz CFFQUODTMWEVJR-QGZVFWFLSA-N 0 1 297.402 3.793 20 0 CHADMN CCCOc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1C ZINC000858567344 1123662468 /nfs/dbraw/zinc/66/24/68/1123662468.db2.gz BNOMUDGZBABMLU-OAHLLOKOSA-N 0 1 285.391 3.996 20 0 CHADMN Cc1ncsc1CN[C@H](C)c1ccc2ccccc2n1 ZINC000346115291 1123664652 /nfs/dbraw/zinc/66/46/52/1123664652.db2.gz WPOUWHKSIZWUAN-LLVKDONJSA-N 0 1 283.400 3.851 20 0 CHADMN CCC[C@H](C)CC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000346155969 1123668661 /nfs/dbraw/zinc/66/86/61/1123668661.db2.gz CREUBKFZIBYSIV-GJZGRUSLSA-N 0 1 294.439 3.605 20 0 CHADMN CC[C@@H]1CN(Cc2cc(C)c3ncccc3c2)C[C@@H](C)O1 ZINC000346159411 1123669015 /nfs/dbraw/zinc/66/90/15/1123669015.db2.gz VGHQDHLZXSISHE-RHSMWYFYSA-N 0 1 284.403 3.543 20 0 CHADMN CCCN(CC)Cc1nc(-c2cccs2)oc1C ZINC000346344263 1123681970 /nfs/dbraw/zinc/68/19/70/1123681970.db2.gz JKYCDNFTRPASQR-UHFFFAOYSA-N 0 1 264.394 3.943 20 0 CHADMN Cc1cnccc1CN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000859135694 1123686092 /nfs/dbraw/zinc/68/60/92/1123686092.db2.gz NQOPFDGKCWNPSL-MDZRGWNJSA-N 0 1 296.414 3.741 20 0 CHADMN Fc1ccc(C2CCN(Cc3ccnc(F)c3)CC2)cc1 ZINC000859158464 1123688024 /nfs/dbraw/zinc/68/80/24/1123688024.db2.gz DTTSIPCUCKHSCS-UHFFFAOYSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1cnccc1C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000859225574 1123691014 /nfs/dbraw/zinc/69/10/14/1123691014.db2.gz UFGLRZLOOYMTOJ-UHFFFAOYSA-N 0 1 299.805 3.728 20 0 CHADMN Cc1cnccc1CN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000859225574 1123691015 /nfs/dbraw/zinc/69/10/15/1123691015.db2.gz UFGLRZLOOYMTOJ-UHFFFAOYSA-N 0 1 299.805 3.728 20 0 CHADMN Fc1cc(CN2CCC[C@@H]2/C=C\c2ccccc2)ccn1 ZINC000859242954 1123691846 /nfs/dbraw/zinc/69/18/46/1123691846.db2.gz QNMBPMIVRLEXOI-XZVRFQMRSA-N 0 1 282.362 3.899 20 0 CHADMN Fc1cc(CN2CCC[C@H]2/C=C/c2ccccc2)ccn1 ZINC000859242951 1123691982 /nfs/dbraw/zinc/69/19/82/1123691982.db2.gz QNMBPMIVRLEXOI-IJDCCNJMSA-N 0 1 282.362 3.899 20 0 CHADMN CO[C@H]1CCC[C@@H](CC(=O)Nc2cccc(Cl)c2O)C1 ZINC000281273861 1123692194 /nfs/dbraw/zinc/69/21/94/1123692194.db2.gz RJWKUMXFZBHYEE-MNOVXSKESA-N 0 1 297.782 3.579 20 0 CHADMN CCCN(Cc1ccnc(F)c1)[C@@H]1CCCc2cccnc21 ZINC000859258141 1123693044 /nfs/dbraw/zinc/69/30/44/1123693044.db2.gz KNIHPJWCKISCBL-MRXNPFEDSA-N 0 1 299.393 3.905 20 0 CHADMN C[C@@H](NCc1ccc(F)cn1)c1ccc2ncsc2c1 ZINC000346540316 1123693114 /nfs/dbraw/zinc/69/31/14/1123693114.db2.gz UYOCGQCGBBVCJL-SNVBAGLBSA-N 0 1 287.363 3.681 20 0 CHADMN CC[C@@H](c1cccc(OC)c1)N(C)Cc1ccnc(F)c1 ZINC000859305294 1123694103 /nfs/dbraw/zinc/69/41/03/1123694103.db2.gz MOJPLGFFGLVLNP-INIZCTEOSA-N 0 1 288.366 3.812 20 0 CHADMN FC1(F)CC12C[C@H]1CC[C@@H](C2)N1Cc1ccnc(Cl)c1 ZINC000859426397 1123697862 /nfs/dbraw/zinc/69/78/62/1123697862.db2.gz HIXVGJOSZAIMGA-ONXXMXGDSA-N 0 1 298.764 3.887 20 0 CHADMN CC[C@H](C)[C@@](C)(O)CN[C@H](C)c1csc(C(C)C)n1 ZINC000346614228 1123698595 /nfs/dbraw/zinc/69/85/95/1123698595.db2.gz NCRUKKARRLUCGE-ZOWXZIJZSA-N 0 1 284.469 3.714 20 0 CHADMN Cc1cc(C)cc(CNc2ccc3nc[nH]c3c2)c1 ZINC000346638463 1123702738 /nfs/dbraw/zinc/70/27/38/1123702738.db2.gz DBELZJAGZSOKOP-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN CC1(C)C[C@@H]1N[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000346642307 1123703713 /nfs/dbraw/zinc/70/37/13/1123703713.db2.gz SMTVZYLINSXMMD-HOTGVXAUSA-N 0 1 270.351 3.698 20 0 CHADMN Fc1cccc(CN[C@@H](c2cncc(F)c2)C2CC2)c1 ZINC000281417158 1123709034 /nfs/dbraw/zinc/70/90/34/1123709034.db2.gz ZSTGSFDSTCKYDZ-MRXNPFEDSA-N 0 1 274.314 3.601 20 0 CHADMN COc1ccnc(CN[C@@H](C)c2ccc(SC)cc2)c1 ZINC000281416599 1123709168 /nfs/dbraw/zinc/70/91/68/1123709168.db2.gz RLROEJQTTKQOIX-LBPRGKRZSA-N 0 1 288.416 3.663 20 0 CHADMN C[C@H](CC(F)(F)F)NCc1cnc(C(F)(F)F)s1 ZINC000443987221 1123718874 /nfs/dbraw/zinc/71/88/74/1123718874.db2.gz KLPYKOXQRQIQDH-RXMQYKEDSA-N 0 1 292.248 3.592 20 0 CHADMN CCCN(CC)Cc1coc(-c2cccc(OC)c2)n1 ZINC000639461184 1123721221 /nfs/dbraw/zinc/72/12/21/1123721221.db2.gz CRAVYWABQFEEPF-UHFFFAOYSA-N 0 1 274.364 3.582 20 0 CHADMN Cc1nnc(CN2CCCC[C@@H]2CCC(C)C)n1C1CC1 ZINC000158167464 1129140840 /nfs/dbraw/zinc/14/08/40/1129140840.db2.gz QOAZRYWNKBJPMH-OAHLLOKOSA-N 0 1 290.455 3.712 20 0 CHADMN CC(C)(C)CC(C)(C)NCc1nc(C2CCC2)no1 ZINC000639470915 1123726448 /nfs/dbraw/zinc/72/64/48/1123726448.db2.gz KUPFTDPDMZGFEW-UHFFFAOYSA-N 0 1 265.401 3.642 20 0 CHADMN CCc1cnc(CNc2cc(C)nc3ccc(F)cc32)o1 ZINC000281574714 1123727114 /nfs/dbraw/zinc/72/71/14/1123727114.db2.gz VWDCKUZOJBBXOO-UHFFFAOYSA-N 0 1 285.322 3.845 20 0 CHADMN CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1cnc[nH]1 ZINC000346859454 1123727451 /nfs/dbraw/zinc/72/74/51/1123727451.db2.gz HLQMSLFGIKMSBE-AWEZNQCLSA-N 0 1 291.782 3.532 20 0 CHADMN COc1ccncc1CNC1(c2ccccc2)CCCC1 ZINC000346952548 1123735914 /nfs/dbraw/zinc/73/59/14/1123735914.db2.gz DNTRBDBZYMWXRJ-UHFFFAOYSA-N 0 1 282.387 3.649 20 0 CHADMN CCc1cnccc1[C@@H](C)NCc1c(C)cc(C)nc1OC ZINC000346970819 1123738213 /nfs/dbraw/zinc/73/82/13/1123738213.db2.gz RIKBDTUBZMYQNR-CQSZACIVSA-N 0 1 299.418 3.515 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1ncccc1C ZINC000281812692 1123746078 /nfs/dbraw/zinc/74/60/78/1123746078.db2.gz WFRFJCYYBNORIU-ZDUSSCGKSA-N 0 1 272.417 3.963 20 0 CHADMN CCC[C@@H](C(=O)NOCC(F)F)c1cccc(Cl)c1 ZINC000860811915 1123750975 /nfs/dbraw/zinc/75/09/75/1123750975.db2.gz LANVDSOGQADQIE-LLVKDONJSA-N 0 1 291.725 3.537 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)N1CCC(CF)CC1 ZINC000336259901 1123752964 /nfs/dbraw/zinc/75/29/64/1123752964.db2.gz LZIXXTRKMJQJQI-NSHDSACASA-N 0 1 262.328 3.570 20 0 CHADMN Cc1nc(C)c(CN[C@@H]2c3ccc(F)cc3O[C@H]2C)s1 ZINC000336357735 1123765325 /nfs/dbraw/zinc/76/53/25/1123765325.db2.gz CPMIECULEYKIIX-VFZGTOFNSA-N 0 1 292.379 3.511 20 0 CHADMN C[C@H]1CC[C@H](NCc2coc(-c3cccs3)n2)CS1 ZINC000655700718 1123770044 /nfs/dbraw/zinc/77/00/44/1123770044.db2.gz NZPKBANXIJAYKZ-QWRGUYRKSA-N 0 1 294.445 3.777 20 0 CHADMN Cc1cnc(CN2CC[C@H](c3ccc(Cl)cc3)C2)o1 ZINC000336477498 1123772643 /nfs/dbraw/zinc/77/26/43/1123772643.db2.gz ZDPRYVBHJDUWQP-ZDUSSCGKSA-N 0 1 276.767 3.626 20 0 CHADMN C[C@@H](O)CCCN(Cc1c(F)cccc1F)C1CCCC1 ZINC000475061909 1123774429 /nfs/dbraw/zinc/77/44/29/1123774429.db2.gz JOLHIDNVOBEBCD-CYBMUJFWSA-N 0 1 297.389 3.870 20 0 CHADMN C[C@@H](c1cccs1)N(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000042315218 1123783521 /nfs/dbraw/zinc/78/35/21/1123783521.db2.gz HZOQKUFUWBGFND-VIFPVBQESA-N 0 1 295.791 3.940 20 0 CHADMN C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(O)c(Cl)c1 ZINC000042462637 1123786862 /nfs/dbraw/zinc/78/68/62/1123786862.db2.gz RBPQDLMRNCNHBA-PWSUYJOCSA-N 0 1 281.783 3.602 20 0 CHADMN c1cc([C@H]2CCCN2Cc2cnc3ccccn23)cs1 ZINC000158491705 1129145268 /nfs/dbraw/zinc/14/52/68/1129145268.db2.gz QPMBOFIWIRGSNS-OAHLLOKOSA-N 0 1 283.400 3.733 20 0 CHADMN Cc1c(F)nccc1CN(C)[C@@H](C)c1cccs1 ZINC000862223709 1123793171 /nfs/dbraw/zinc/79/31/71/1123793171.db2.gz DXFFOSVOESFROX-NSHDSACASA-N 0 1 264.369 3.784 20 0 CHADMN COc1ccc([C@H](C)N(C)Cc2ccnc(Cl)c2)cc1 ZINC000195408523 1129145688 /nfs/dbraw/zinc/14/56/88/1129145688.db2.gz NLYCEXXZLCSJTI-LBPRGKRZSA-N 0 1 290.794 3.937 20 0 CHADMN Cc1nc(CN2CCC[C@@H](c3ccccc3)CC2)[nH]c1C ZINC000862238581 1123794714 /nfs/dbraw/zinc/79/47/14/1123794714.db2.gz AZLGDZIPILKNIO-QGZVFWFLSA-N 0 1 283.419 3.796 20 0 CHADMN CCc1noc(CN(CCc2ccccc2)C2CCCC2)n1 ZINC000063754763 1123804934 /nfs/dbraw/zinc/80/49/34/1123804934.db2.gz RIGWLHZZNLYCPH-UHFFFAOYSA-N 0 1 299.418 3.619 20 0 CHADMN Cc1c(CN2CC(C3CCCCC3)C2)ccnc1F ZINC000862389304 1123805454 /nfs/dbraw/zinc/80/54/54/1123805454.db2.gz ITJHOKRBAZREDI-UHFFFAOYSA-N 0 1 262.372 3.541 20 0 CHADMN COc1cccc2cc(CN3CC(Cc4ccco4)C3)oc21 ZINC000862486929 1123814652 /nfs/dbraw/zinc/81/46/52/1123814652.db2.gz KNXXEWICFDEWSA-UHFFFAOYSA-N 0 1 297.354 3.709 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCSC[C@@H](C)C1 ZINC000190413307 1123818963 /nfs/dbraw/zinc/81/89/63/1123818963.db2.gz LSWIXIOPAMNFRJ-RYUDHWBXSA-N 0 1 282.453 3.718 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCSC[C@@H](C)C1 ZINC000190413307 1123818969 /nfs/dbraw/zinc/81/89/69/1123818969.db2.gz LSWIXIOPAMNFRJ-RYUDHWBXSA-N 0 1 282.453 3.718 20 0 CHADMN CC(C)c1cc(C(=O)N([C@H](C)c2ccccc2)C2CC2)n[nH]1 ZINC000621229581 1129147335 /nfs/dbraw/zinc/14/73/35/1129147335.db2.gz HPKDTQINHRNSLG-CYBMUJFWSA-N 0 1 297.402 3.899 20 0 CHADMN CC(C)OCCCN(C)Cc1nc2ccccc2s1 ZINC000171498403 1123824889 /nfs/dbraw/zinc/82/48/89/1123824889.db2.gz BPKPGYFIQITUPX-UHFFFAOYSA-N 0 1 278.421 3.543 20 0 CHADMN Cc1ccc(CN2CC[C@H](C(F)(F)F)[C@H]2C)cc1F ZINC000475274209 1123829765 /nfs/dbraw/zinc/82/97/65/1123829765.db2.gz BBLNXDOCDHJURY-PWSUYJOCSA-N 0 1 275.289 3.907 20 0 CHADMN C[C@@H]1CC[C@@H](N(C)Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC000339045014 1123829878 /nfs/dbraw/zinc/82/98/78/1123829878.db2.gz RJJKFUDSERFYTF-UKRRQHHQSA-N 0 1 269.392 3.697 20 0 CHADMN CCc1ccc(CN2CC[C@H](C(F)(F)F)[C@H]2C)o1 ZINC000475285175 1123833863 /nfs/dbraw/zinc/83/38/63/1123833863.db2.gz YFABDKWIXYCESX-SKDRFNHKSA-N 0 1 261.287 3.615 20 0 CHADMN C[C@@H](NC[C@H](O)CC1CCCC1)c1c(F)cccc1F ZINC000475312180 1123838811 /nfs/dbraw/zinc/83/88/11/1123838811.db2.gz KMTIBYAPNMKLSH-DGCLKSJQSA-N 0 1 283.362 3.557 20 0 CHADMN CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000475313477 1123838904 /nfs/dbraw/zinc/83/89/04/1123838904.db2.gz OEGGAKUPDOVHDV-DGCLKSJQSA-N 0 1 271.364 3.718 20 0 CHADMN CC(C)SCSc1nc(-c2ccccc2F)n[nH]1 ZINC000863219600 1123852727 /nfs/dbraw/zinc/85/27/27/1123852727.db2.gz LIDKOWFFVPPFEE-UHFFFAOYSA-N 0 1 283.397 3.802 20 0 CHADMN C/C=C\C[C@@H]1CCCN(CN2C(=O)C[C@H]2c2ccccc2)C1 ZINC000863341966 1123862611 /nfs/dbraw/zinc/86/26/11/1123862611.db2.gz WMQOHYLBXJECPA-IFEGVLKZSA-N 0 1 298.430 3.596 20 0 CHADMN Cc1ccccc1[C@@H](CC(C)C)Nc1ncnc2[nH]cnc21 ZINC000301219877 1123882196 /nfs/dbraw/zinc/88/21/96/1123882196.db2.gz ANDXINPSOKVKLX-CQSZACIVSA-N 0 1 295.390 3.861 20 0 CHADMN CCC(CC)[C@H](O)CNc1ccnc2cc(F)ccc21 ZINC000301232812 1123883043 /nfs/dbraw/zinc/88/30/43/1123883043.db2.gz BLTJDUVGLGITIK-MRXNPFEDSA-N 0 1 276.355 3.583 20 0 CHADMN CCN[C@@H](C)c1nc(-c2ccc3sccc3c2)no1 ZINC000863662343 1123886130 /nfs/dbraw/zinc/88/61/30/1123886130.db2.gz VNDKKFPAKKOFKE-VIFPVBQESA-N 0 1 273.361 3.622 20 0 CHADMN Fc1ccc2c(c1)nccc2NCCc1ccco1 ZINC000301288187 1123888803 /nfs/dbraw/zinc/88/88/03/1123888803.db2.gz SEYANANZNMFNKZ-UHFFFAOYSA-N 0 1 256.280 3.622 20 0 CHADMN c1n[nH]c2c1[C@@H](Nc1ccc(OCC3CC3)cc1)CCC2 ZINC000796871922 1123895438 /nfs/dbraw/zinc/89/54/38/1123895438.db2.gz GRFKKINULTXXPO-INIZCTEOSA-N 0 1 283.375 3.688 20 0 CHADMN FC(F)[C@@H]1CCN(Cc2cc3ccccc3c(Cl)n2)C1 ZINC000794563021 1123898102 /nfs/dbraw/zinc/89/81/02/1123898102.db2.gz SDXQDVIPUUJQIE-LLVKDONJSA-N 0 1 296.748 3.975 20 0 CHADMN Cc1cc(Cl)ccc1N1N=C2CCCC[C@@H]2C1=O ZINC000863851517 1123900043 /nfs/dbraw/zinc/90/00/43/1123900043.db2.gz YXVXBNBGKBKMBX-NSHDSACASA-N 0 1 262.740 3.541 20 0 CHADMN Cc1cc(Cl)ccc1-n1[nH]c2c(c1=O)CCCC2 ZINC000863851517 1123900053 /nfs/dbraw/zinc/90/00/53/1123900053.db2.gz YXVXBNBGKBKMBX-NSHDSACASA-N 0 1 262.740 3.541 20 0 CHADMN CCOc1cccc([C@@H](C)NCc2cnc(C)s2)c1 ZINC000119789563 1123908942 /nfs/dbraw/zinc/90/89/42/1123908942.db2.gz CJJWRSPGLQZNKE-LLVKDONJSA-N 0 1 276.405 3.701 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(C)c(F)c1 ZINC000159057910 1129157960 /nfs/dbraw/zinc/15/79/60/1129157960.db2.gz ORPKQMAQCGUNNX-UHFFFAOYSA-N 0 1 275.327 3.541 20 0 CHADMN CCN(Cc1ccoc1)c1ccnc2cc(F)ccc21 ZINC000301582118 1123914727 /nfs/dbraw/zinc/91/47/27/1123914727.db2.gz UZHXKKJQZKBLPE-UHFFFAOYSA-N 0 1 270.307 3.993 20 0 CHADMN Cc1ccc(O[C@@H](C)CNc2cc(C)ccn2)cc1 ZINC000301620851 1123917929 /nfs/dbraw/zinc/91/79/29/1123917929.db2.gz FDDOWUIGIMGMRU-AWEZNQCLSA-N 0 1 256.349 3.578 20 0 CHADMN Cc1ccnc(NCCCOc2cccc3cccnc32)c1 ZINC000301625025 1123918694 /nfs/dbraw/zinc/91/86/94/1123918694.db2.gz GVCPZBSTYVMXBZ-UHFFFAOYSA-N 0 1 293.370 3.819 20 0 CHADMN CC[C@@H](C)[C@H](O)CNc1cc(C)nc2ccc(F)cc21 ZINC000301655414 1123921159 /nfs/dbraw/zinc/92/11/59/1123921159.db2.gz HOJLZLSMKQHQQG-QLJPJBMISA-N 0 1 276.355 3.501 20 0 CHADMN CSC[C@H](C)Nc1cc(C)nc2ccc(F)cc21 ZINC000301677345 1123923485 /nfs/dbraw/zinc/92/34/85/1123923485.db2.gz QNMTZRIBVJINRF-JTQLQIEISA-N 0 1 264.369 3.846 20 0 CHADMN Fc1ccc2c(c1)nccc2N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000301678156 1123923571 /nfs/dbraw/zinc/92/35/71/1123923571.db2.gz UAIGIEGURAVAFZ-CPUCHLNUSA-N 0 1 286.350 3.743 20 0 CHADMN Cc1cccc([C@@H](O)CNc2ccnc3cc(F)ccc32)c1 ZINC000301684882 1123924480 /nfs/dbraw/zinc/92/44/80/1123924480.db2.gz HLZPOHCVCHAJCB-SFHVURJKSA-N 0 1 296.345 3.828 20 0 CHADMN COCCC1(CNc2ccnc3cc(F)ccc32)CC1 ZINC000301710365 1123926080 /nfs/dbraw/zinc/92/60/80/1123926080.db2.gz HPAIJAKOVVQJHU-UHFFFAOYSA-N 0 1 274.339 3.603 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cn3cccnc3=S)C2)c(C)c1 ZINC000794657072 1123926135 /nfs/dbraw/zinc/92/61/35/1123926135.db2.gz SDFSOXAIDFKPLM-OAHLLOKOSA-N 0 1 299.443 3.676 20 0 CHADMN C[C@H]1CC([NH2+]Cc2ccc([O-])c(Cl)c2)C[C@H](C)C1 ZINC000084461612 1129153546 /nfs/dbraw/zinc/15/35/46/1129153546.db2.gz MBDIACSBWBQBJD-GHMZBOCLSA-N 0 1 267.800 3.960 20 0 CHADMN FC(F)(F)c1ccc2c(c1)nccc2NCc1ccon1 ZINC000301792749 1123933011 /nfs/dbraw/zinc/93/30/11/1123933011.db2.gz OFNKDGQPYODESE-UHFFFAOYSA-N 0 1 293.248 3.854 20 0 CHADMN C/C(=C\C1CCC(C)CC1)C(=O)Nc1c(C)n[nH]c1C ZINC000864899801 1123949729 /nfs/dbraw/zinc/94/97/29/1123949729.db2.gz QPTMNNXWPBEGIY-PKNBQFBNSA-N 0 1 275.396 3.738 20 0 CHADMN Cc1cc2ccccc2c(N2CCC(n3ccnc3)CC2)n1 ZINC000302053819 1123952121 /nfs/dbraw/zinc/95/21/21/1123952121.db2.gz PMJWAZQPSAGACV-UHFFFAOYSA-N 0 1 292.386 3.581 20 0 CHADMN Clc1cncc(CN2C3CCCC2CCC3)c1 ZINC000621259856 1129155888 /nfs/dbraw/zinc/15/58/88/1129155888.db2.gz KFHRZAMPOITFMK-UHFFFAOYSA-N 0 1 250.773 3.642 20 0 CHADMN Fc1ncccc1CN[C@H]1CCc2c1cccc2Cl ZINC000794828179 1123962023 /nfs/dbraw/zinc/96/20/23/1123962023.db2.gz LNCRFZYVJSRRKN-AWEZNQCLSA-N 0 1 276.742 3.651 20 0 CHADMN C[C@H](NC(=O)c1ccccc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000205297623 1123964743 /nfs/dbraw/zinc/96/47/43/1123964743.db2.gz OXHVCLHBLAJXDY-JTQLQIEISA-N 0 1 299.761 3.707 20 0 CHADMN Cc1cccc(NCC(C)(C)c2ccc3c(c2)OCO3)n1 ZINC000302255233 1123965295 /nfs/dbraw/zinc/96/52/95/1123965295.db2.gz YRCMZOCRFPOLDF-UHFFFAOYSA-N 0 1 284.359 3.508 20 0 CHADMN Fc1ncccc1CN[C@H]1CCc2cc(Cl)ccc21 ZINC000794836181 1123972190 /nfs/dbraw/zinc/97/21/90/1123972190.db2.gz SLTRGUXJSRYZLD-AWEZNQCLSA-N 0 1 276.742 3.651 20 0 CHADMN COCC(C)(C)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000865347402 1123972562 /nfs/dbraw/zinc/97/25/62/1123972562.db2.gz YLGGRMVVQSPYCQ-UHFFFAOYSA-N 0 1 291.420 3.545 20 0 CHADMN Cc1cc(C)cc(OCC[N@H+](C)[C@H](C)c2ccco2)c1 ZINC000621278875 1129157261 /nfs/dbraw/zinc/15/72/61/1129157261.db2.gz SIDCVDJRLVWOKM-OAHLLOKOSA-N 0 1 273.376 3.968 20 0 CHADMN COc1ccc([C@H](NCc2cn(C3CC3)cn2)C(C)C)cc1 ZINC000865405716 1123981240 /nfs/dbraw/zinc/98/12/40/1123981240.db2.gz SVXKJHXRYQXJOI-GOSISDBHSA-N 0 1 299.418 3.714 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1c(F)c(F)nc(F)c1F ZINC000302743427 1123981947 /nfs/dbraw/zinc/98/19/47/1123981947.db2.gz ZYFAAPIFSLOTCW-UHFFFAOYSA-N 0 1 296.227 3.566 20 0 CHADMN C[C@H]1CCN(c2ccnc3cc(F)ccc32)CCS1 ZINC000302769815 1123982622 /nfs/dbraw/zinc/98/26/22/1123982622.db2.gz ZMXGLIBLTZTXLW-NSHDSACASA-N 0 1 276.380 3.706 20 0 CHADMN Cc1ccc2c(c1)CC[C@H]2NCc1cc2c(cc[nH]c2=O)o1 ZINC000865435183 1123984372 /nfs/dbraw/zinc/98/43/72/1123984372.db2.gz ZFZMPOPHXHDUIM-MRXNPFEDSA-N 0 1 294.354 3.619 20 0 CHADMN C[C@H](NCc1cccnc1F)c1ccc(OC(F)F)cc1 ZINC000794837014 1123984509 /nfs/dbraw/zinc/98/45/09/1123984509.db2.gz WAXPFYBWCAKMRE-JTQLQIEISA-N 0 1 296.292 3.673 20 0 CHADMN CC[C@](C)(NCc1cc2c(cc[nH]c2=O)o1)c1ccccc1 ZINC000865455797 1123986240 /nfs/dbraw/zinc/98/62/40/1123986240.db2.gz FUFRYMBRKHJBSS-SFHVURJKSA-N 0 1 296.370 3.948 20 0 CHADMN CO[C@H](CNCc1c(Cl)cncc1Cl)C(C)(C)C ZINC000865479451 1123988005 /nfs/dbraw/zinc/98/80/05/1123988005.db2.gz JLDWNHUXSKKQTC-GFCCVEGCSA-N 0 1 291.222 3.539 20 0 CHADMN C[C@H]1CN(CCc2cccs2)C[C@H](c2ccsc2)O1 ZINC000120577615 1123988739 /nfs/dbraw/zinc/98/87/39/1123988739.db2.gz FRUOSDQEWUZCLH-SWLSCSKDSA-N 0 1 293.457 3.814 20 0 CHADMN Cc1nc(C)c(CN[C@@H](C)c2ccnn2C2CCC2)s1 ZINC000925147263 1123992940 /nfs/dbraw/zinc/99/29/40/1123992940.db2.gz HSZWXTXOBBZEIV-JTQLQIEISA-N 0 1 290.436 3.532 20 0 CHADMN Cc1c(Cl)cccc1CN[C@H](CO)c1ccsc1 ZINC000865531987 1123993579 /nfs/dbraw/zinc/99/35/79/1123993579.db2.gz VJFCJGJTGQWRTO-CQSZACIVSA-N 0 1 281.808 3.533 20 0 CHADMN CC[C@@H](C)[C@H](CNCc1c(Cl)cncc1Cl)OC ZINC000865584644 1123996761 /nfs/dbraw/zinc/99/67/61/1123996761.db2.gz ZEWHAZDYFFRFQU-RNCFNFMXSA-N 0 1 291.222 3.539 20 0 CHADMN Cc1ccc(CNCc2cccc(Cl)c2C)nc1C ZINC000865599062 1123997753 /nfs/dbraw/zinc/99/77/53/1123997753.db2.gz CFIODOBBRRYPBI-UHFFFAOYSA-N 0 1 274.795 3.950 20 0 CHADMN Cc1cc2nccn2cc1N[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC001168069265 1124002348 /nfs/dbraw/zinc/00/23/48/1124002348.db2.gz YSMAPLMRPBKYMP-SWLSCSKDSA-N 0 1 299.324 3.889 20 0 CHADMN F[C@@H]1CCCC[C@@H]1NCc1cnc(C2CCC2)s1 ZINC000865698617 1124006106 /nfs/dbraw/zinc/00/61/06/1124006106.db2.gz DTZSNQOFUXWDAF-OLZOCXBDSA-N 0 1 268.401 3.781 20 0 CHADMN CCOc1cc(F)cc(CN[C@H](C)c2cnc(C)s2)c1 ZINC000865703193 1124006711 /nfs/dbraw/zinc/00/67/11/1124006711.db2.gz VYPBGEFDTHVHPM-SNVBAGLBSA-N 0 1 294.395 3.840 20 0 CHADMN CC/C=C(/F)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000865727574 1124008600 /nfs/dbraw/zinc/00/86/00/1124008600.db2.gz BJAPLPCPNJYBMD-OPWUTIMJSA-N 0 1 295.745 3.657 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cnc2ccc(C)cn12 ZINC000865820709 1124017477 /nfs/dbraw/zinc/01/74/77/1124017477.db2.gz AJAILJDYBDBDPO-CQSZACIVSA-N 0 1 295.386 3.502 20 0 CHADMN COc1ccccc1[C@H](C)NCc1cnc2ccc(C)cn12 ZINC000865821203 1124017649 /nfs/dbraw/zinc/01/76/49/1124017649.db2.gz AJAILJDYBDBDPO-AWEZNQCLSA-N 0 1 295.386 3.502 20 0 CHADMN COc1ccccc1[C@@H](C)NCc1cnc(Cl)c(C)c1 ZINC000865821015 1124017815 /nfs/dbraw/zinc/01/78/15/1124017815.db2.gz JHZBROXYBHJIEH-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CCc1nc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)cs1 ZINC000865832380 1124019371 /nfs/dbraw/zinc/01/93/71/1124019371.db2.gz NZBZDRIPNZJRMF-GHMZBOCLSA-N 0 1 290.354 3.692 20 0 CHADMN [O-]c1cccc(C[NH2+]C2([C@H]3CCCCO3)CCC2)c1Cl ZINC000865856103 1124022802 /nfs/dbraw/zinc/02/28/02/1124022802.db2.gz FKEKJJLPPLUNNN-CQSZACIVSA-N 0 1 295.810 3.627 20 0 CHADMN CC1=C(C)CN(Cn2cc(-c3ccccc3)cn2)CC1 ZINC000794881221 1124025233 /nfs/dbraw/zinc/02/52/33/1124025233.db2.gz NLNYDABGWQWGBG-UHFFFAOYSA-N 0 1 267.376 3.550 20 0 CHADMN C[C@@H]1CC[C@H](NCc2coc(-c3ccccc3)n2)CS1 ZINC000655720570 1124025217 /nfs/dbraw/zinc/02/52/17/1124025217.db2.gz ZNCMTRPBHNSGSP-OCCSQVGLSA-N 0 1 288.416 3.715 20 0 CHADMN c1ccc2c(c1)[nH]c1c2CN(CCCc2cccnc2)CC1 ZINC000029486401 1124026101 /nfs/dbraw/zinc/02/61/01/1124026101.db2.gz OPAMFYWUYXKZLX-UHFFFAOYSA-N 0 1 291.398 3.554 20 0 CHADMN C[C@@H]1CN(c2ccncc2C(F)(F)F)C[C@@H](C)C1(F)F ZINC000865963302 1124027052 /nfs/dbraw/zinc/02/70/52/1124027052.db2.gz LRHANSRZAIXJTR-RKDXNWHRSA-N 0 1 294.267 3.828 20 0 CHADMN Cc1cc(CNC2(c3cccc(F)c3)CC2)c(C)o1 ZINC000120875934 1124030375 /nfs/dbraw/zinc/03/03/75/1124030375.db2.gz NQHCLLUHTXCRJE-UHFFFAOYSA-N 0 1 259.324 3.814 20 0 CHADMN O=C(c1cc2cccnc2[nH]1)N1CCCCc2sccc21 ZINC000665873435 1124034735 /nfs/dbraw/zinc/03/47/35/1124034735.db2.gz WKGVTRUSRHMTIF-UHFFFAOYSA-N 0 1 297.383 3.608 20 0 CHADMN Cc1cccc(CN[C@@H]2CCCc3c(F)cccc32)n1 ZINC000866237572 1124039536 /nfs/dbraw/zinc/03/95/36/1124039536.db2.gz DXXPEWROLGZBLK-QGZVFWFLSA-N 0 1 270.351 3.696 20 0 CHADMN CCCN[C@@H](C)c1nc(C2CCCCCC2)no1 ZINC000087949258 1124042607 /nfs/dbraw/zinc/04/26/07/1124042607.db2.gz XJDFLBFDTROVME-NSHDSACASA-N 0 1 251.374 3.568 20 0 CHADMN Cc1cc(Br)c(CNC/C=C/C2CC2)s1 ZINC001202520834 1124042739 /nfs/dbraw/zinc/04/27/39/1124042739.db2.gz QYLZBEFBMFRJIW-NSCUHMNNSA-N 0 1 286.238 3.875 20 0 CHADMN CCN(Cc1n[nH]c(C(C)C)n1)c1cc(C)cc(C)c1 ZINC000428367968 1124042894 /nfs/dbraw/zinc/04/28/94/1124042894.db2.gz BAEUQYLYORYSAF-UHFFFAOYSA-N 0 1 272.396 3.571 20 0 CHADMN C[C@H]1COCCN1Cc1ccc(-c2ccsc2)cc1 ZINC000444592726 1124044171 /nfs/dbraw/zinc/04/41/71/1124044171.db2.gz PWMVDDBNDYNGBG-ZDUSSCGKSA-N 0 1 273.401 3.636 20 0 CHADMN CN(Cc1cnn(C)c1)Cc1ccc(-c2cccs2)cc1 ZINC000444600869 1124046721 /nfs/dbraw/zinc/04/67/21/1124046721.db2.gz WYHQQTZTUSQVOC-UHFFFAOYSA-N 0 1 297.427 3.781 20 0 CHADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1cc2c(ccnc2Cl)o1 ZINC000866310058 1124049936 /nfs/dbraw/zinc/04/99/36/1124049936.db2.gz CKGFYBBGVVWUGU-DTWKUNHWSA-N 0 1 290.754 3.616 20 0 CHADMN Cc1nc2cc(N[C@H](C)CCc3cccnc3)ccc2n1C ZINC000866333136 1124053871 /nfs/dbraw/zinc/05/38/71/1124053871.db2.gz JCFKANSTIFVRNS-CYBMUJFWSA-N 0 1 294.402 3.710 20 0 CHADMN Cc1cc(C)cc(CN(C)Cc2ncccc2C)c1 ZINC000444694478 1124055158 /nfs/dbraw/zinc/05/51/58/1124055158.db2.gz QMBJRWYZRAWBIU-UHFFFAOYSA-N 0 1 254.377 3.639 20 0 CHADMN COc1cc(CNCc2cc(C)oc2C)c2ccccc2n1 ZINC000121031804 1124056550 /nfs/dbraw/zinc/05/65/50/1124056550.db2.gz PWKZBGNSSFDRSB-UHFFFAOYSA-N 0 1 296.370 3.743 20 0 CHADMN COc1ccc2c(c1)CC[C@H]2NCc1noc2ccccc12 ZINC000866387918 1124061111 /nfs/dbraw/zinc/06/11/11/1124061111.db2.gz YQCAUZUABMMLQG-MRXNPFEDSA-N 0 1 294.354 3.614 20 0 CHADMN CC(C)[C@@H]1CCCN([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000444768678 1124061185 /nfs/dbraw/zinc/06/11/85/1124061185.db2.gz FRUFNOZYECEOLP-QWHCGFSZSA-N 0 1 279.428 3.796 20 0 CHADMN CC(C)[C@@H](NCc1c(C2CCC2)cnn1C)c1ccccn1 ZINC000866392289 1124061638 /nfs/dbraw/zinc/06/16/38/1124061638.db2.gz BLCMRTRBHNYFFT-GOSISDBHSA-N 0 1 298.434 3.570 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(C(F)(F)F)s1)c1cn[nH]c1 ZINC000717943904 1129163917 /nfs/dbraw/zinc/16/39/17/1129163917.db2.gz KHFCEEJTYFWWNX-YUMQZZPRSA-N 0 1 289.326 3.902 20 0 CHADMN Cc1nccnc1CN[C@@H](C)c1cc2ccccc2s1 ZINC000621334385 1129163973 /nfs/dbraw/zinc/16/39/73/1129163973.db2.gz DIDFMFUYCAZELI-LBPRGKRZSA-N 0 1 283.400 3.851 20 0 CHADMN CCOc1cncc(CN[C@@H](c2ncccc2C)C(C)C)c1 ZINC000621336285 1129164154 /nfs/dbraw/zinc/16/41/54/1129164154.db2.gz RMQDDWFEIAQYIF-QGZVFWFLSA-N 0 1 299.418 3.671 20 0 CHADMN c1ccc2c(c1)SC[C@@H]2NCc1cccc2c1CCOC2 ZINC000866477726 1124069691 /nfs/dbraw/zinc/06/96/91/1124069691.db2.gz BHKOJDWFNGQJRA-KRWDZBQOSA-N 0 1 297.423 3.696 20 0 CHADMN Clc1ncc(CN2CC[C@@H]3CCCC[C@@H]32)s1 ZINC000079318807 1124072281 /nfs/dbraw/zinc/07/22/81/1124072281.db2.gz WQGZBZSZQMIIIR-ONGXEEELSA-N 0 1 256.802 3.561 20 0 CHADMN Fc1cccc2c1SCC[C@@H]2N[C@@H]1C[C@H]1C(F)(F)F ZINC000866500985 1124073177 /nfs/dbraw/zinc/07/31/77/1124073177.db2.gz WXWWTFXVWXMSRE-DVVUODLYSA-N 0 1 291.313 3.903 20 0 CHADMN CCCc1nc(C)c(CN2CCC[C@H]2c2ccc[nH]2)o1 ZINC000428390400 1124073985 /nfs/dbraw/zinc/07/39/85/1124073985.db2.gz UAWQPECVISNCFV-AWEZNQCLSA-N 0 1 273.380 3.601 20 0 CHADMN CCC(CC)(CN[C@H](C)c1cc(C)n(C)n1)C(F)(F)F ZINC000866506522 1124074530 /nfs/dbraw/zinc/07/45/30/1124074530.db2.gz LXPNYDZWKIKWFH-LLVKDONJSA-N 0 1 291.361 3.748 20 0 CHADMN Cc1ncc([C@@H](C)N[C@@H](C)c2cnn(C(C)C)c2C)s1 ZINC000631708895 1124075051 /nfs/dbraw/zinc/07/50/51/1124075051.db2.gz RCNQSFJOIMLNHP-WDEREUQCSA-N 0 1 292.452 3.949 20 0 CHADMN Cc1nc(CN2CCC[C@H](C(C)C)CC2)cs1 ZINC000525273084 1124119471 /nfs/dbraw/zinc/11/94/71/1124119471.db2.gz SPZUXLUPNVTPDL-ZDUSSCGKSA-N 0 1 252.427 3.710 20 0 CHADMN c1c[nH]c([C@@H](NCCCCC2CC2)c2ccccc2)n1 ZINC000866541990 1124081064 /nfs/dbraw/zinc/08/10/64/1124081064.db2.gz VLOZWWJFLIOUBN-INIZCTEOSA-N 0 1 269.392 3.669 20 0 CHADMN CCc1noc(C)c1[C@@H](C)NCc1cccc2[nH]ccc21 ZINC000866632345 1124091959 /nfs/dbraw/zinc/09/19/59/1124091959.db2.gz YGGOFNLCHZXRBX-LLVKDONJSA-N 0 1 283.375 3.878 20 0 CHADMN C[C@@H](NCc1cc2c([nH]c1=O)CCCC2)c1ccsc1 ZINC000866640327 1124092878 /nfs/dbraw/zinc/09/28/78/1124092878.db2.gz GIKKFBISPHXLHU-LLVKDONJSA-N 0 1 288.416 3.578 20 0 CHADMN CCOc1cncc(CNCc2cccc(C(C)C)c2)c1 ZINC000621345291 1129165879 /nfs/dbraw/zinc/16/58/79/1129165879.db2.gz IIMNPYSFHJKZFZ-UHFFFAOYSA-N 0 1 284.403 3.894 20 0 CHADMN Cc1cc(N2C[C@H](C)O[C@H](C)[C@H]2C)c2cc(F)ccc2n1 ZINC000445663984 1124096534 /nfs/dbraw/zinc/09/65/34/1124096534.db2.gz IXRBMOXFDMAZFB-YNEHKIRRSA-N 0 1 288.366 3.684 20 0 CHADMN CC(C)c1ccc(CN2CCN(C/C=C\Cl)CC2)cc1 ZINC000206397130 1124096986 /nfs/dbraw/zinc/09/69/86/1124096986.db2.gz POHTXVRJYXIXHK-BAQGIRSFSA-N 0 1 292.854 3.680 20 0 CHADMN Cc1oncc1CN(Cc1ccc(F)cc1)C(C)C ZINC000445803711 1124101009 /nfs/dbraw/zinc/10/10/09/1124101009.db2.gz UVTHQNDEJPSMMU-UHFFFAOYSA-N 0 1 262.328 3.533 20 0 CHADMN C[C@@H](CC[N@@H+](CC(=O)[O-])C1CCCC1)c1ccccc1 ZINC000086749263 1129166329 /nfs/dbraw/zinc/16/63/29/1129166329.db2.gz QLIJIHSNNDFHOM-AWEZNQCLSA-N 0 1 275.392 3.509 20 0 CHADMN CC[C@]1(C)CCN(Cc2ccn(-c3ccccc3F)n2)C1 ZINC000445821606 1124103427 /nfs/dbraw/zinc/10/34/27/1124103427.db2.gz XSLMMIHCEHQYCT-QGZVFWFLSA-N 0 1 287.382 3.633 20 0 CHADMN COc1cc2c(cc1F)nccc2NCC[C@H]1CC1(F)F ZINC000621346522 1129166470 /nfs/dbraw/zinc/16/64/70/1129166470.db2.gz RAIUCXBGRROFAI-VIFPVBQESA-N 0 1 296.292 3.840 20 0 CHADMN CC(C)n1ccc(CN2CCCC3(CCCC3)C2)n1 ZINC000445872845 1124105396 /nfs/dbraw/zinc/10/53/96/1124105396.db2.gz ZHPVFAIWPZNDHW-UHFFFAOYSA-N 0 1 261.413 3.620 20 0 CHADMN C[C@H](CC[N@@H+](CC(=O)[O-])C1CCCC1)c1ccccc1 ZINC000086749265 1129166640 /nfs/dbraw/zinc/16/66/40/1129166640.db2.gz QLIJIHSNNDFHOM-CQSZACIVSA-N 0 1 275.392 3.509 20 0 CHADMN CCCN1C(=O)N=NC1SCc1ccc(C)cc1Cl ZINC000446075395 1124109186 /nfs/dbraw/zinc/10/91/86/1124109186.db2.gz YDAFAQWJTXXDAF-UHFFFAOYSA-N 0 1 297.811 3.648 20 0 CHADMN C[C@@H](CC[N@H+]1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1 ZINC000086755233 1129166710 /nfs/dbraw/zinc/16/67/10/1129166710.db2.gz DAQNUCMJYFQILR-DOTOQJQBSA-N 0 1 289.419 3.900 20 0 CHADMN CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000086784390 1129166733 /nfs/dbraw/zinc/16/67/33/1129166733.db2.gz CVHIOYAKOLMVGM-NVXWUHKLSA-N 0 1 293.382 3.854 20 0 CHADMN FC(F)(F)c1ccc(C2(CNCc3ccon3)CC2)cc1 ZINC000634976659 1129168453 /nfs/dbraw/zinc/16/84/53/1129168453.db2.gz DLBAOCYGUWPFRT-UHFFFAOYSA-N 0 1 296.292 3.515 20 0 CHADMN CCc1nc(C)c(CN(C)[C@H]2CCc3ccccc32)o1 ZINC000428439274 1124113537 /nfs/dbraw/zinc/11/35/37/1124113537.db2.gz BVSFJXHYBBFKGM-HNNXBMFYSA-N 0 1 270.376 3.665 20 0 CHADMN CCc1cnc(CN2CCC[C@@H](Cc3ccccc3)C2)o1 ZINC000525271867 1124119173 /nfs/dbraw/zinc/11/91/73/1124119173.db2.gz JFSXHJHBQUIUPV-INIZCTEOSA-N 0 1 284.403 3.692 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCC[C@H](C)C3)n2)cc1 ZINC000525241314 1124119206 /nfs/dbraw/zinc/11/92/06/1124119206.db2.gz QTLZFTWQNWMGDO-GXTWGEPZSA-N 0 1 298.390 3.545 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CCC[C@H](C)C3)n2)cc1 ZINC000525241315 1124119245 /nfs/dbraw/zinc/11/92/45/1124119245.db2.gz QTLZFTWQNWMGDO-JSGCOSHPSA-N 0 1 298.390 3.545 20 0 CHADMN CCc1ccc(-c2noc(CN3CC[C@@H](CC)C3)n2)cc1 ZINC000446726447 1124120462 /nfs/dbraw/zinc/12/04/62/1124120462.db2.gz OSJKUDFXUXPOKD-CQSZACIVSA-N 0 1 285.391 3.531 20 0 CHADMN CC(C)[C@H]1CCN(Cc2nc(C(C)(C)C)cs2)C1 ZINC000446740867 1124121121 /nfs/dbraw/zinc/12/11/21/1124121121.db2.gz HZEJQXRVWIBLTL-LBPRGKRZSA-N 0 1 266.454 3.919 20 0 CHADMN CC(C)(NCc1cccc2ncccc12)c1nccs1 ZINC000634961744 1129167527 /nfs/dbraw/zinc/16/75/27/1129167527.db2.gz CIOMOQKFDZEURE-UHFFFAOYSA-N 0 1 283.400 3.716 20 0 CHADMN CCCc1nc(C)c(CN(C)Cc2cccc(C)c2)o1 ZINC000428455850 1124125404 /nfs/dbraw/zinc/12/54/04/1124125404.db2.gz GNQQHADIYFVXSM-UHFFFAOYSA-N 0 1 272.392 3.876 20 0 CHADMN CCC(CC)[C@@H](CCNc1cc(C)ccn1)OC ZINC000446877781 1124127338 /nfs/dbraw/zinc/12/73/38/1124127338.db2.gz ODFYHFMZVRPRKI-CQSZACIVSA-N 0 1 250.386 3.643 20 0 CHADMN C[C@H](N[C@@H](C)c1cccc(-n2cccn2)c1)c1ccns1 ZINC000925188820 1124127750 /nfs/dbraw/zinc/12/77/50/1124127750.db2.gz NDDHVAAXLAZKIN-STQMWFEESA-N 0 1 298.415 3.741 20 0 CHADMN Cc1ccc(F)c(CN(C)Cc2ccc3c[nH]nc3c2)c1 ZINC000446977256 1124129805 /nfs/dbraw/zinc/12/98/05/1124129805.db2.gz MOENHVGCQZAEHS-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN Cc1ccccc1CCCSCc1n[nH]c(C2CC2)n1 ZINC000447023050 1124130182 /nfs/dbraw/zinc/13/01/82/1124130182.db2.gz IYZVNHHDRCYWSO-UHFFFAOYSA-N 0 1 287.432 3.857 20 0 CHADMN Cc1ccc(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cc1 ZINC000447085218 1124131757 /nfs/dbraw/zinc/13/17/57/1124131757.db2.gz HONRRNLLSCQUOE-UHFFFAOYSA-N 0 1 271.408 3.648 20 0 CHADMN CCc1cc(C(=O)N2CCCC[C@H]2c2ccc(C)cc2)n[nH]1 ZINC000525609728 1124134407 /nfs/dbraw/zinc/13/44/07/1124134407.db2.gz SGMASMLTEGVMES-KRWDZBQOSA-N 0 1 297.402 3.648 20 0 CHADMN COc1ccc(F)c(CNCc2ccc(SC)s2)c1 ZINC000621376050 1129169156 /nfs/dbraw/zinc/16/91/56/1129169156.db2.gz OLJUJQZDWSFHFH-UHFFFAOYSA-N 0 1 297.420 3.908 20 0 CHADMN CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1CC(F)F ZINC000621395218 1129173020 /nfs/dbraw/zinc/17/30/20/1129173020.db2.gz AJQPTSRYNYDSQE-UHFFFAOYSA-N 0 1 296.405 3.627 20 0 CHADMN FC(F)[C@@H](NCCCC1CCOCC1)C1CCCCC1 ZINC000621402023 1129173669 /nfs/dbraw/zinc/17/36/69/1129173669.db2.gz QVZHGWFCVMUMBE-HNNXBMFYSA-N 0 1 289.410 3.997 20 0 CHADMN FC(F)[C@H](NCCCC1CCOCC1)C1CCCCC1 ZINC000621402024 1129173981 /nfs/dbraw/zinc/17/39/81/1129173981.db2.gz QVZHGWFCVMUMBE-OAHLLOKOSA-N 0 1 289.410 3.997 20 0 CHADMN COCC1CCN(Cc2c(C)cc(F)cc2Cl)CC1 ZINC001238781284 1131245906 /nfs/dbraw/zinc/24/59/06/1131245906.db2.gz PKNRLEQENRQZID-UHFFFAOYSA-N 0 1 285.790 3.646 20 0 CHADMN Cc1cc(F)cc(C[N@H+]2CCC3(C2)CCOCC3)c1Cl ZINC001238782324 1131246496 /nfs/dbraw/zinc/24/64/96/1131246496.db2.gz VZHTWSMTEFYWJV-UHFFFAOYSA-N 0 1 297.801 3.790 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001238786584 1131247311 /nfs/dbraw/zinc/24/73/11/1131247311.db2.gz HHPPKGZVPDVZBP-BXUZGUMPSA-N 0 1 295.785 3.589 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1CCC[C@]12CCOC2 ZINC001238788124 1131247866 /nfs/dbraw/zinc/24/78/66/1131247866.db2.gz MOTXICZJFSWTPS-OAHLLOKOSA-N 0 1 283.774 3.542 20 0 CHADMN Cc1cc(F)cc(Cl)c1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001238785332 1131248323 /nfs/dbraw/zinc/24/83/23/1131248323.db2.gz FIWOHXKNHRASRV-NURSFMCSSA-N 0 1 271.738 3.720 20 0 CHADMN Cc1cccc2sc(-n3[nH]c(CC(C)C)cc3=O)nc21 ZINC001245932798 1131254108 /nfs/dbraw/zinc/25/41/08/1131254108.db2.gz NXKQRBGEOLRBIL-UHFFFAOYSA-N 0 1 287.388 3.695 20 0 CHADMN CN(Cc1nc(Br)cs1)C1CCCCC1 ZINC001137773524 1131415818 /nfs/dbraw/zinc/41/58/18/1131415818.db2.gz BMXYKCTZSXESCI-UHFFFAOYSA-N 0 1 289.242 3.670 20 0 CHADMN CSc1ccc(CN2CCC(c3ccncc3)CC2)o1 ZINC001119448825 1131255466 /nfs/dbraw/zinc/25/54/66/1131255466.db2.gz MYQQGVUCMATVTB-UHFFFAOYSA-N 0 1 288.416 3.776 20 0 CHADMN CN1CCc2c(F)cc(-c3ccc(C4CC4)nc3)cc2C1 ZINC001238854876 1131257900 /nfs/dbraw/zinc/25/79/00/1131257900.db2.gz NFJXISIVSMHZSO-UHFFFAOYSA-N 0 1 282.362 3.753 20 0 CHADMN Cc1nc2ccc(NC(=O)C=Cc3cccs3)cc2[nH]1 ZINC000819632948 1131257901 /nfs/dbraw/zinc/25/79/01/1131257901.db2.gz WSYCULPXUQWFEG-ALCCZGGFSA-N 0 1 283.356 3.585 20 0 CHADMN CC(C)[C@@H]1COCCN1[C@H]1CCc2cccc(Cl)c2C1 ZINC001170934908 1131258681 /nfs/dbraw/zinc/25/86/81/1131258681.db2.gz NYLIHOMHZMDADO-YOEHRIQHSA-N 0 1 293.838 3.554 20 0 CHADMN Cc1cc(OCc2ccccc2)ncc1-c1cc(N)ccn1 ZINC001238859988 1131259797 /nfs/dbraw/zinc/25/97/97/1131259797.db2.gz OQMPZLJKXJZMSC-UHFFFAOYSA-N 0 1 291.354 3.613 20 0 CHADMN CC(C)CCc1noc(CN2C[C@@H](C)CCC[C@@H]2C)n1 ZINC000525637019 1124451690 /nfs/dbraw/zinc/45/16/90/1124451690.db2.gz WEILKUICPQOKGJ-KBPBESRZSA-N 0 1 279.428 3.669 20 0 CHADMN COCCSCCCSc1nc2ccc(C)cc2[nH]1 ZINC000447308202 1124460808 /nfs/dbraw/zinc/46/08/08/1124460808.db2.gz BDHUNCRLKCWETN-UHFFFAOYSA-N 0 1 296.461 3.733 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2nc(C(C)(C)C)cs2)C1 ZINC000447293308 1124461734 /nfs/dbraw/zinc/46/17/34/1124461734.db2.gz VHKIPIUADORZSA-RYUDHWBXSA-N 0 1 266.454 3.919 20 0 CHADMN Cc1ccc2nc(SC[C@@H]3CCO[C@@H](C)C3)[nH]c2c1 ZINC000447305926 1124464531 /nfs/dbraw/zinc/46/45/31/1124464531.db2.gz NTNUOZTYVZZFCP-NWDGAFQWSA-N 0 1 276.405 3.779 20 0 CHADMN CO[C@H]1CCC[N@@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447305304 1124464712 /nfs/dbraw/zinc/46/47/12/1124464712.db2.gz YVRUZPQMTHUXLL-AWEZNQCLSA-N 0 1 288.218 3.647 20 0 CHADMN CO[C@H]1CCCN(CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447305304 1124464715 /nfs/dbraw/zinc/46/47/15/1124464715.db2.gz YVRUZPQMTHUXLL-AWEZNQCLSA-N 0 1 288.218 3.647 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cncc(C(F)(F)F)c2)C[C@@H](C)C1 ZINC000361325577 1124467649 /nfs/dbraw/zinc/46/76/49/1124467649.db2.gz STZKWRFHAQUYLR-NEPJUHHUSA-N 0 1 286.341 3.968 20 0 CHADMN C[C@@H]1CCN(Cc2cncc(C(F)(F)F)c2)C[C@@H](C)C1 ZINC000361325577 1124467650 /nfs/dbraw/zinc/46/76/50/1124467650.db2.gz STZKWRFHAQUYLR-NEPJUHHUSA-N 0 1 286.341 3.968 20 0 CHADMN CCc1nc(CN(c2ccsc2)C2CCCCC2)n[nH]1 ZINC000447380056 1124467678 /nfs/dbraw/zinc/46/76/78/1124467678.db2.gz DMQDCKZCBPYTRP-UHFFFAOYSA-N 0 1 290.436 3.768 20 0 CHADMN CC(C)[C@@H](C)N(C)Cc1nc(C(C)(C)C)cs1 ZINC000447375351 1124468222 /nfs/dbraw/zinc/46/82/22/1124468222.db2.gz SJOZWYPKUFKJIM-LLVKDONJSA-N 0 1 254.443 3.917 20 0 CHADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@@]12C[C@@H]1CCCC2 ZINC000868332375 1124468453 /nfs/dbraw/zinc/46/84/53/1124468453.db2.gz JRFSUWBIVAKVFQ-RTHLEPHNSA-N 0 1 283.730 3.704 20 0 CHADMN CC[C@H]1[C@H](C)CCN1Cc1cncc(C(F)(F)F)c1 ZINC000361396896 1124469364 /nfs/dbraw/zinc/46/93/64/1124469364.db2.gz VPDHOVHGRLDQJU-MFKMUULPSA-N 0 1 272.314 3.721 20 0 CHADMN Cc1ccc2nc(CN[C@H](CC(F)(F)F)C(C)C)cn2c1 ZINC000525836791 1124470101 /nfs/dbraw/zinc/47/01/01/1124470101.db2.gz TVKZMQWCMLCHAE-CYBMUJFWSA-N 0 1 299.340 3.709 20 0 CHADMN CCc1ncc(CN2CCCC[C@H]2c2ccccc2)o1 ZINC001119737914 1131262444 /nfs/dbraw/zinc/26/24/44/1131262444.db2.gz HFVOLPWKODDQCZ-INIZCTEOSA-N 0 1 270.376 3.964 20 0 CHADMN CCc1nc2c(s1)[C@@H](N(C)CC1(F)CC1)CCC2 ZINC000525977735 1124482578 /nfs/dbraw/zinc/48/25/78/1124482578.db2.gz CWBLHDIFFHMMOD-NSHDSACASA-N 0 1 268.401 3.517 20 0 CHADMN c1cc2c(o1)CCC[C@H]2NC1(c2ccc3c(c2)OCO3)CC1 ZINC000447608860 1124498971 /nfs/dbraw/zinc/49/89/71/1124498971.db2.gz WUXZBWUKJASHLA-CQSZACIVSA-N 0 1 297.354 3.665 20 0 CHADMN CC(C)O[C@H](CN1C[C@H](C)O[C@H](C)[C@@H]1C)c1ccccc1 ZINC000428491091 1124501654 /nfs/dbraw/zinc/50/16/54/1124501654.db2.gz SGDLGWNJWCZAMO-LISAXSMJSA-N 0 1 291.435 3.650 20 0 CHADMN C[C@@H](CN[C@H](c1ncc[nH]1)c1cccnc1)C1CCCCC1 ZINC000526041344 1124503574 /nfs/dbraw/zinc/50/35/74/1124503574.db2.gz WENVVHASTMLAKE-YOEHRIQHSA-N 0 1 298.434 3.700 20 0 CHADMN COc1cc(CN2CC[C@@H]2c2ccccc2)ccc1C ZINC000447702584 1124510885 /nfs/dbraw/zinc/51/08/85/1124510885.db2.gz DALKMZRFYHCKOA-QGZVFWFLSA-N 0 1 267.372 3.951 20 0 CHADMN C=Cn1cc(CN(Cc2ccc(C)c(C)c2)C2CC2)cn1 ZINC000447727005 1124512257 /nfs/dbraw/zinc/51/22/57/1124512257.db2.gz ARUWXZHTXBRVAA-UHFFFAOYSA-N 0 1 281.403 3.765 20 0 CHADMN C=Cn1cc(CN(CCC)[C@@H](C)c2ccccc2OC)cn1 ZINC000447747480 1124519805 /nfs/dbraw/zinc/51/98/05/1124519805.db2.gz ULDUCWYFTBHHLK-HNNXBMFYSA-N 0 1 299.418 3.965 20 0 CHADMN CCCCc1nc(CN2CCCC[C@@H]2C[C@@H](C)O)cs1 ZINC000447846464 1124532272 /nfs/dbraw/zinc/53/22/72/1124532272.db2.gz WPIIRRDZTGOQCR-UKRRQHHQSA-N 0 1 296.480 3.611 20 0 CHADMN COc1cc(CN[C@H]2COc3c2ccc(C)c3C)ccc1C ZINC000447838616 1124533838 /nfs/dbraw/zinc/53/38/38/1124533838.db2.gz CGIXFXPICMLIKI-KRWDZBQOSA-N 0 1 297.398 3.844 20 0 CHADMN Cc1cc(F)ncc1CN1CCC(Nc2ccccc2)CC1 ZINC001119935547 1131267226 /nfs/dbraw/zinc/26/72/26/1131267226.db2.gz GQUBFUCRKXWCHJ-UHFFFAOYSA-N 0 1 299.393 3.606 20 0 CHADMN CCCCN[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000122945147 1124545097 /nfs/dbraw/zinc/54/50/97/1124545097.db2.gz JHAWZFZCCZCNQR-JTQLQIEISA-N 0 1 279.771 3.841 20 0 CHADMN CC(C)(C)CCCc1nc(-c2ccn3cncc3c2)no1 ZINC000447962066 1124549513 /nfs/dbraw/zinc/54/95/13/1124549513.db2.gz JLXZFOVKSBSTOV-UHFFFAOYSA-N 0 1 284.363 3.753 20 0 CHADMN CC(C)c1nc(CNC[C@@H]2CCCC3(CCC3)O2)cs1 ZINC001119963390 1131268202 /nfs/dbraw/zinc/26/82/02/1131268202.db2.gz GJJUYXPRMNXRDJ-AWEZNQCLSA-N 0 1 294.464 3.848 20 0 CHADMN Fc1ccccc1-n1ccc(C[N@@H+](C2CC2)C2CCCC2)n1 ZINC000527323854 1124566853 /nfs/dbraw/zinc/56/68/53/1124566853.db2.gz MEXPQFNXGPTRIQ-UHFFFAOYSA-N 0 1 299.393 3.918 20 0 CHADMN Fc1ccccc1-n1ccc(CN(C2CC2)C2CCCC2)n1 ZINC000527323854 1124566858 /nfs/dbraw/zinc/56/68/58/1124566858.db2.gz MEXPQFNXGPTRIQ-UHFFFAOYSA-N 0 1 299.393 3.918 20 0 CHADMN CN(Cc1ncc(C(C)(C)C)s1)C1CCCC1 ZINC000448210738 1124571558 /nfs/dbraw/zinc/57/15/58/1124571558.db2.gz CPIAVEVMBDUNCW-UHFFFAOYSA-N 0 1 252.427 3.815 20 0 CHADMN CC(C)CCCN[C@H](c1nccn1C)c1ccccc1 ZINC000527365893 1124576323 /nfs/dbraw/zinc/57/63/23/1124576323.db2.gz PFPKCHMRULMXLV-INIZCTEOSA-N 0 1 271.408 3.535 20 0 CHADMN Clc1cnccc1CNCc1ccc(C2CC2)cc1 ZINC000527699237 1124583531 /nfs/dbraw/zinc/58/35/31/1124583531.db2.gz HZFFEMYIEQCOFR-UHFFFAOYSA-N 0 1 272.779 3.902 20 0 CHADMN COCc1nc(CN2CC[C@H](CC(C)(C)C)C2)cs1 ZINC000448553781 1124586539 /nfs/dbraw/zinc/58/65/39/1124586539.db2.gz FAQSTKZVUOIBNL-GFCCVEGCSA-N 0 1 282.453 3.548 20 0 CHADMN C[C@@H]1CN(CCCC(F)(F)F)Cc2ccccc2O1 ZINC001120043394 1131271977 /nfs/dbraw/zinc/27/19/77/1131271977.db2.gz KFGYQYHBMHGWGU-LLVKDONJSA-N 0 1 273.298 3.612 20 0 CHADMN CC1=C[C@H](C)C[C@@H](C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)C1 ZINC000871621526 1124620630 /nfs/dbraw/zinc/62/06/30/1124620630.db2.gz FZFAMCKMXZAMPR-CWRNSKLLSA-N 0 1 279.424 3.556 20 0 CHADMN CC[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(C)=O ZINC000871638223 1124621365 /nfs/dbraw/zinc/62/13/65/1124621365.db2.gz VNRVKFSALRFPAX-LLVKDONJSA-N 0 1 295.795 3.585 20 0 CHADMN COc1cc(C)ccc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000448992314 1124628645 /nfs/dbraw/zinc/62/86/45/1124628645.db2.gz KSVDPCSSHCFIOH-INIZCTEOSA-N 0 1 270.376 3.669 20 0 CHADMN COc1cccc2c(CN3CCO[C@H]4CCC[C@H]43)cccc12 ZINC000449019426 1124630282 /nfs/dbraw/zinc/63/02/82/1124630282.db2.gz WIFKAOKHWLDZPR-MJGOQNOKSA-N 0 1 297.398 3.602 20 0 CHADMN Cc1cnc(CNCCOc2ccc(C(C)C)cc2)s1 ZINC000449084168 1124642631 /nfs/dbraw/zinc/64/26/31/1124642631.db2.gz FWJNIVCDADBVIZ-UHFFFAOYSA-N 0 1 290.432 3.744 20 0 CHADMN CC[C@H](NCc1ccncc1F)c1cccs1 ZINC000449086730 1124644490 /nfs/dbraw/zinc/64/44/90/1124644490.db2.gz SVNNAHDZNDDMCY-LBPRGKRZSA-N 0 1 250.342 3.523 20 0 CHADMN C/C(Cl)=C\CN(Cc1cccc(O)c1)CC1CC1 ZINC000528380188 1124647720 /nfs/dbraw/zinc/64/77/20/1124647720.db2.gz JEZCUFWAZMZSSO-KPKJPENVSA-N 0 1 265.784 3.747 20 0 CHADMN COc1ccc([C@H](C)NCc2ccnn2C2CCCC2)cc1 ZINC000449107093 1124648141 /nfs/dbraw/zinc/64/81/41/1124648141.db2.gz OCUBDHLQPJSVSW-AWEZNQCLSA-N 0 1 299.418 3.858 20 0 CHADMN Clc1ccc(CNc2ccc3c(n2)CCCC3)cn1 ZINC000871864891 1124648773 /nfs/dbraw/zinc/64/87/73/1124648773.db2.gz BDUMPERPIZGBAB-UHFFFAOYSA-N 0 1 273.767 3.621 20 0 CHADMN FC(F)c1ccc(CNc2ccc3c(n2)CCCC3)cn1 ZINC000871865007 1124649081 /nfs/dbraw/zinc/64/90/81/1124649081.db2.gz QLLHTXQPRHNLPP-UHFFFAOYSA-N 0 1 289.329 3.905 20 0 CHADMN CO[C@@H](C)CN(Cc1nc2cc(C)ccc2s1)C(C)C ZINC000528386192 1124650452 /nfs/dbraw/zinc/65/04/52/1124650452.db2.gz HNHNRWPGPUNTFL-ZDUSSCGKSA-N 0 1 292.448 3.850 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccncc1)c1ccc(C(F)(F)F)nc1 ZINC000871934305 1124652937 /nfs/dbraw/zinc/65/29/37/1124652937.db2.gz GOMKZJILAHPCSO-WDEREUQCSA-N 0 1 295.308 3.907 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)nc1)c1cccnc1 ZINC000871937076 1124653627 /nfs/dbraw/zinc/65/36/27/1124653627.db2.gz RTRCKSSNXJXEPF-MNOVXSKESA-N 0 1 295.308 3.907 20 0 CHADMN CC(C)[C@H]1CCC2=NN(c3cccc(Cl)n3)C(=O)[C@H]2C1 ZINC000871950479 1124653980 /nfs/dbraw/zinc/65/39/80/1124653980.db2.gz GGXOHGRXKLYTJA-QWRGUYRKSA-N 0 1 291.782 3.510 20 0 CHADMN COCc1ccccc1CN[C@@H](C)c1cccc(O)c1F ZINC000872019175 1124658029 /nfs/dbraw/zinc/65/80/29/1124658029.db2.gz UHLKKCYAJNTYET-LBPRGKRZSA-N 0 1 289.350 3.529 20 0 CHADMN C[C@H](N[C@@H]1CCc2ccccc21)c1cc(O)ccc1F ZINC000872019735 1124658422 /nfs/dbraw/zinc/65/84/22/1124658422.db2.gz ZNHVAYVWSIVIRN-APPDUMDISA-N 0 1 271.335 3.869 20 0 CHADMN COCc1ccc(CN[C@H](C)c2cccc(O)c2F)cc1 ZINC000872022348 1124659278 /nfs/dbraw/zinc/65/92/78/1124659278.db2.gz XVKOTNBGMDLTDG-GFCCVEGCSA-N 0 1 289.350 3.529 20 0 CHADMN COc1cc(C)ccc1CN[C@H](c1cccnc1)C1CC1 ZINC000449203865 1124668760 /nfs/dbraw/zinc/66/87/60/1124668760.db2.gz IFSIYNARMXWJAJ-SFHVURJKSA-N 0 1 282.387 3.640 20 0 CHADMN C/C(Cl)=C/CN1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000528453152 1124671731 /nfs/dbraw/zinc/67/17/31/1124671731.db2.gz ZCMIVRDHWBSKIJ-RTMIACINSA-N 0 1 250.773 3.607 20 0 CHADMN Cc1csc(CN[C@@H](C)c2cc(O)ccc2F)c1 ZINC000872077070 1124676383 /nfs/dbraw/zinc/67/63/83/1124676383.db2.gz XZLWEBIPXFFLPW-JTQLQIEISA-N 0 1 265.353 3.752 20 0 CHADMN CN(Cc1ncccc1Cl)[C@@H]1CCC(C)(C)C1 ZINC000528485665 1124678817 /nfs/dbraw/zinc/67/88/17/1124678817.db2.gz LUCPEOUDHKNJQM-LLVKDONJSA-N 0 1 252.789 3.746 20 0 CHADMN c1cc(CNCc2cccc3cc[nH]c32)n(C2CCCC2)n1 ZINC000449269051 1124680185 /nfs/dbraw/zinc/68/01/85/1124680185.db2.gz LKBPRSHENVDALI-UHFFFAOYSA-N 0 1 294.402 3.769 20 0 CHADMN CC[C@H](N[C@H](C)c1nc(Cc2ccccc2)no1)C1CCC1 ZINC000449278683 1124682030 /nfs/dbraw/zinc/68/20/30/1124682030.db2.gz LIBMULDBTWCWMZ-CJNGLKHVSA-N 0 1 299.418 3.890 20 0 CHADMN C/C(Cl)=C\CN1CCCC[C@H]1c1n[nH]c(C(C)C)n1 ZINC000528505136 1124684748 /nfs/dbraw/zinc/68/47/48/1124684748.db2.gz QLCDSIWPOURKMC-VNKGSWCUSA-N 0 1 282.819 3.598 20 0 CHADMN C[C@@H](CF)N[C@H]1CCc2c1ccc(F)c2Br ZINC000449327618 1124689291 /nfs/dbraw/zinc/68/92/91/1124689291.db2.gz BUQCEWXMALTNEL-CPCISQLKSA-N 0 1 290.151 3.523 20 0 CHADMN CN(Cc1ncccc1Cl)C[C@H]1CCc2ccccc21 ZINC000528560889 1124689936 /nfs/dbraw/zinc/68/99/36/1124689936.db2.gz OEVFUIQMBPEWQE-CQSZACIVSA-N 0 1 286.806 3.897 20 0 CHADMN CC[N@@H+](Cc1cc(F)cc(OC)c1)[C@@H](C)c1cccnc1 ZINC000449332509 1124690514 /nfs/dbraw/zinc/69/05/14/1124690514.db2.gz RPNVQQDYFYMBMO-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN CCN(Cc1cc(F)cc(OC)c1)[C@@H](C)c1cccnc1 ZINC000449332509 1124690517 /nfs/dbraw/zinc/69/05/17/1124690517.db2.gz RPNVQQDYFYMBMO-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2nccnc2C)c(C)c1 ZINC000872131099 1124691673 /nfs/dbraw/zinc/69/16/73/1124691673.db2.gz PMVBWZDGXKAFOX-GXTWGEPZSA-N 0 1 285.391 3.514 20 0 CHADMN c1coc(C2=CCCN(Cc3ccnn3C3CCCC3)C2)c1 ZINC000449315183 1124692071 /nfs/dbraw/zinc/69/20/71/1124692071.db2.gz HBBLOILMJRFMNL-UHFFFAOYSA-N 0 1 297.402 3.881 20 0 CHADMN c1cc2cccc(CN3C[C@]4(CCCO4)[C@H]3C3CC3)c2o1 ZINC000449344950 1124695717 /nfs/dbraw/zinc/69/57/17/1124695717.db2.gz SSMIEDPMLHNRNO-QZTJIDSGSA-N 0 1 283.371 3.576 20 0 CHADMN COc1cc2ccccc2cc1CN1CCC[C@@H]1CF ZINC000449345852 1124696252 /nfs/dbraw/zinc/69/62/52/1124696252.db2.gz XDDDXTPMPJNRRF-MRXNPFEDSA-N 0 1 273.351 3.782 20 0 CHADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC000872165789 1124697204 /nfs/dbraw/zinc/69/72/04/1124697204.db2.gz LNTDXLASKPFQJG-OAHLLOKOSA-N 0 1 295.810 3.650 20 0 CHADMN FC1(F)CC12C[C@H]1CC[C@@H](C2)N1Cc1ccncc1Cl ZINC000528585960 1124698140 /nfs/dbraw/zinc/69/81/40/1124698140.db2.gz SWPWCUQSDNNMFL-ONXXMXGDSA-N 0 1 298.764 3.887 20 0 CHADMN CC(C)[C@H](N)c1noc(CCc2cccc3ccccc32)n1 ZINC000872171304 1124698368 /nfs/dbraw/zinc/69/83/68/1124698368.db2.gz QUZTXAOMSLVNLK-KRWDZBQOSA-N 0 1 295.386 3.664 20 0 CHADMN Cc1ccoc1CN[C@H]1CCCc2c(F)cccc21 ZINC000449351886 1124698487 /nfs/dbraw/zinc/69/84/87/1124698487.db2.gz RMJGHWMEEVUWLG-HNNXBMFYSA-N 0 1 259.324 3.894 20 0 CHADMN Clc1cccnc1CN1CCC[C@H](OC2CCC2)CC1 ZINC000872283341 1124702090 /nfs/dbraw/zinc/70/20/90/1124702090.db2.gz JCSJMAOPBBWONB-AWEZNQCLSA-N 0 1 294.826 3.659 20 0 CHADMN C[C@H]1C[C@@H](CN2CCc3c(Cl)cc(F)cc3C2)CCO1 ZINC000449372092 1124704654 /nfs/dbraw/zinc/70/46/54/1124704654.db2.gz CGUZJSZNLZURAQ-RYUDHWBXSA-N 0 1 297.801 3.652 20 0 CHADMN FC(F)(F)c1ncc(CNCC2=CCCCC2)s1 ZINC000449375483 1124705740 /nfs/dbraw/zinc/70/57/40/1124705740.db2.gz HLCLFGNEOGISNY-UHFFFAOYSA-N 0 1 276.327 3.752 20 0 CHADMN CC[C@H](NCCCCCOc1ccccc1)C(F)F ZINC000449358314 1124709607 /nfs/dbraw/zinc/70/96/07/1124709607.db2.gz FKMBXTNLRWLVKR-AWEZNQCLSA-N 0 1 271.351 3.869 20 0 CHADMN CCCCOc1ncc(-c2nccc3[nH]cnc32)cc1C ZINC001238959762 1131278799 /nfs/dbraw/zinc/27/87/99/1131278799.db2.gz IJJCFJWNPJXUTQ-UHFFFAOYSA-N 0 1 282.347 3.507 20 0 CHADMN CCCCOc1ncc(-c2[nH]ccc3ncnc2-3)cc1C ZINC001238959762 1131278802 /nfs/dbraw/zinc/27/88/02/1131278802.db2.gz IJJCFJWNPJXUTQ-UHFFFAOYSA-N 0 1 282.347 3.507 20 0 CHADMN CC(C)c1cc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000872525407 1124720217 /nfs/dbraw/zinc/72/02/17/1124720217.db2.gz LVPOIFSRCPTICG-GFCCVEGCSA-N 0 1 293.411 3.648 20 0 CHADMN Cc1cc(CNCc2cscc2C(F)(F)F)ccn1 ZINC000449405713 1124727793 /nfs/dbraw/zinc/72/77/93/1124727793.db2.gz ZSMNFTHIDSKRIZ-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN CCOc1cc(C[N@H+]2CC[C@@H]2C2CC2)ccc1OC(F)F ZINC000449426822 1124733108 /nfs/dbraw/zinc/73/31/08/1124733108.db2.gz QJLTULZOFXLGEX-CYBMUJFWSA-N 0 1 297.345 3.671 20 0 CHADMN CS[C@@H]1CCN(Cc2cc(C)ccc2OC(F)F)C1 ZINC000449446760 1124741176 /nfs/dbraw/zinc/74/11/76/1124741176.db2.gz SUPYTVJMWCJTNS-GFCCVEGCSA-N 0 1 287.375 3.534 20 0 CHADMN Clc1cnc(CNCCC[C@@H]2C=CCC2)s1 ZINC000873153776 1124743812 /nfs/dbraw/zinc/74/38/12/1124743812.db2.gz HGDIMNFALOMBNZ-SNVBAGLBSA-N 0 1 256.802 3.633 20 0 CHADMN C(=C\c1ccccc1)\CCN1CCC[C@H]1c1ncccn1 ZINC000639868411 1124744148 /nfs/dbraw/zinc/74/41/48/1124744148.db2.gz LVVLGFQPKGGVQC-JDZBVEAQSA-N 0 1 279.387 3.717 20 0 CHADMN C[C@@H]1CC[C@@H](NCc2noc3c2CC(C)(C)CC3)CS1 ZINC000873173955 1124745730 /nfs/dbraw/zinc/74/57/30/1124745730.db2.gz FNSOKQVPFBFXCV-VXGBXAGGSA-N 0 1 294.464 3.563 20 0 CHADMN COc1ccc(C(C)(C)NCc2cncc(C)c2)cc1F ZINC000528678156 1124746025 /nfs/dbraw/zinc/74/60/25/1124746025.db2.gz KDIQEXYJKIZRCW-UHFFFAOYSA-N 0 1 288.366 3.563 20 0 CHADMN C[C@@H]1C[C@H](C(F)(F)F)CCN1C/C=C\c1ccncc1 ZINC000449458440 1124748003 /nfs/dbraw/zinc/74/80/03/1124748003.db2.gz IDRXWNOKJQCPPW-BTBCPRSTSA-N 0 1 284.325 3.758 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1ccccc1C1CC1 ZINC000873187589 1124748300 /nfs/dbraw/zinc/74/83/00/1124748300.db2.gz XMVTWPZAPNWYRU-CYBMUJFWSA-N 0 1 267.376 3.513 20 0 CHADMN CC(C)c1ccc([C@@H]2CCCN2Cc2cnc(N)cn2)cc1 ZINC000873207260 1124753549 /nfs/dbraw/zinc/75/35/49/1124753549.db2.gz MGDKLYHBUCJHBL-KRWDZBQOSA-N 0 1 296.418 3.519 20 0 CHADMN CCO[C@H]1CCN(Cc2cccc(Cl)c2F)C[C@H]1C ZINC000449492135 1124760927 /nfs/dbraw/zinc/76/09/27/1124760927.db2.gz IOAWINGESHNBHH-RISCZKNCSA-N 0 1 285.790 3.726 20 0 CHADMN CCO[C@H]1CCN(Cc2ccc(OC)cc2Cl)C[C@H]1C ZINC000449490985 1124761724 /nfs/dbraw/zinc/76/17/24/1124761724.db2.gz DRHHQFITELNTNC-WBMJQRKESA-N 0 1 297.826 3.596 20 0 CHADMN CCO[C@@H]1CCN(Cc2c(Cl)cccc2OC)C[C@H]1C ZINC000449492900 1124761785 /nfs/dbraw/zinc/76/17/85/1124761785.db2.gz KJERZRHFHOHPKN-IUODEOHRSA-N 0 1 297.826 3.596 20 0 CHADMN CO[C@H]1CCN(C/C=C/c2ccc(F)cc2F)CC1(C)C ZINC000449495721 1124771167 /nfs/dbraw/zinc/77/11/67/1124771167.db2.gz DVBGRWTZTLCNKN-APHBUQMISA-N 0 1 295.373 3.725 20 0 CHADMN CCOc1cc(C)c(-c2cccc(CN(C)C)c2F)cn1 ZINC001238978254 1131283307 /nfs/dbraw/zinc/28/33/07/1131283307.db2.gz CVDVOUUIXVADOL-UHFFFAOYSA-N 0 1 288.366 3.656 20 0 CHADMN COc1cccc(-c2cc3nc[nH]c3cc2OC)c1C ZINC001238982189 1131285162 /nfs/dbraw/zinc/28/51/62/1131285162.db2.gz DHBZZTMVDOXFOB-UHFFFAOYSA-N 0 1 268.316 3.556 20 0 CHADMN CC(C)C[C@H](C)OC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000820767364 1131301167 /nfs/dbraw/zinc/30/11/67/1131301167.db2.gz AOKDQUFALZLFQX-STQMWFEESA-N 0 1 298.452 3.512 20 0 CHADMN Cc1nc(CN2CC[C@@H](c3cccc(F)c3)C2(C)C)co1 ZINC000528776703 1124800929 /nfs/dbraw/zinc/80/09/29/1124800929.db2.gz VYMBOLOVKFAWIN-INIZCTEOSA-N 0 1 288.366 3.890 20 0 CHADMN Cc1ccc(CN[C@@H]2CCCN(C)c3ccccc32)o1 ZINC000449650589 1124829646 /nfs/dbraw/zinc/82/96/46/1124829646.db2.gz LIDSFSZICWEJHN-MRXNPFEDSA-N 0 1 270.376 3.649 20 0 CHADMN Fc1ccc(/C=C/CNCc2cnc(C3CC3)o2)cc1F ZINC000449703172 1124841202 /nfs/dbraw/zinc/84/12/02/1124841202.db2.gz FOURVXPYNCTJRM-OWOJBTEDSA-N 0 1 290.313 3.633 20 0 CHADMN Fc1cc(F)cc(CN2CCC[C@@]3(CCSC3)C2)c1 ZINC000449732683 1124852804 /nfs/dbraw/zinc/85/28/04/1124852804.db2.gz MEZSTIRMOFYDHC-OAHLLOKOSA-N 0 1 283.387 3.684 20 0 CHADMN c1nc(CN2CCCCCC2)oc1-c1ccccc1 ZINC000041363159 1124855364 /nfs/dbraw/zinc/85/53/64/1124855364.db2.gz VYZOMUSEEUSTMT-UHFFFAOYSA-N 0 1 256.349 3.718 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3C[C@H]3c3ccsc3)ccc12 ZINC000528950547 1124858079 /nfs/dbraw/zinc/85/80/79/1124858079.db2.gz YSPJZPLAHZJTAQ-UONOGXRCSA-N 0 1 297.383 3.675 20 0 CHADMN COC[C@H]1CCCCN1Cc1cnc(C2CCCC2)s1 ZINC000449759206 1124859194 /nfs/dbraw/zinc/85/91/94/1124859194.db2.gz IUFUZWCVPNZRPN-CQSZACIVSA-N 0 1 294.464 3.802 20 0 CHADMN Cc1cccc2c1CN(Cc1ccccc1-n1cccn1)C2 ZINC001137093441 1124901305 /nfs/dbraw/zinc/90/13/05/1124901305.db2.gz DLSNDOPGHUXPNX-UHFFFAOYSA-N 0 1 289.382 3.697 20 0 CHADMN CC[C@H]1CCCCN1CC(=O)Nc1cccc(SC)c1 ZINC000016334095 1124924748 /nfs/dbraw/zinc/92/47/48/1124924748.db2.gz GOXLRYGBNJAGNR-AWEZNQCLSA-N 0 1 292.448 3.612 20 0 CHADMN Cc1ccc([C@@H]2CCN(Cc3nccn3C(C)C)C2)cc1 ZINC000371746033 1124936724 /nfs/dbraw/zinc/93/67/24/1124936724.db2.gz GOUFTGRWXMYNMW-QGZVFWFLSA-N 0 1 283.419 3.762 20 0 CHADMN Cc1ccccc1[C@H]1CN(CCc2cccs2)CCO1 ZINC000126080810 1124968415 /nfs/dbraw/zinc/96/84/15/1124968415.db2.gz BDBHIBJQPJKJOU-QGZVFWFLSA-N 0 1 287.428 3.673 20 0 CHADMN CC[C@H](CC(C)C)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000450310519 1124975622 /nfs/dbraw/zinc/97/56/22/1124975622.db2.gz DXXVKLLKBSGIIA-CYBMUJFWSA-N 0 1 287.407 3.560 20 0 CHADMN CC(C)C[C@@H]1CCCCN1Cc1ccc(Cl)nn1 ZINC000876765143 1124978290 /nfs/dbraw/zinc/97/82/90/1124978290.db2.gz TXIUSHMUMVTTSX-ZDUSSCGKSA-N 0 1 267.804 3.531 20 0 CHADMN Fc1ccc2c(c1)[C@H](N[C@H]1COCc3ccccc31)CC2 ZINC000340528052 1124979355 /nfs/dbraw/zinc/97/93/55/1124979355.db2.gz ZPLOUNPOPMLCFF-MSOLQXFVSA-N 0 1 283.346 3.674 20 0 CHADMN COc1cc(CN(C)Cc2ccc[nH]2)cc(C(F)(F)F)c1 ZINC000529527775 1124981871 /nfs/dbraw/zinc/98/18/71/1124981871.db2.gz CRDKSKIYLVZKEB-UHFFFAOYSA-N 0 1 298.308 3.674 20 0 CHADMN CCOc1cc(CN2CCC3(CCC3)C2)c(F)cc1OC ZINC000529531994 1124982674 /nfs/dbraw/zinc/98/26/74/1124982674.db2.gz GIFJQVIFUKFVRW-UHFFFAOYSA-N 0 1 293.382 3.609 20 0 CHADMN CC[C@H](NCc1ccc(Cl)nn1)c1ccc(C)cc1 ZINC000876891066 1124988050 /nfs/dbraw/zinc/98/80/50/1124988050.db2.gz PBPUKXQPRPIKDI-AWEZNQCLSA-N 0 1 275.783 3.679 20 0 CHADMN Clc1csc(CNCCCOC2CCCCC2)n1 ZINC000876900806 1124988315 /nfs/dbraw/zinc/98/83/15/1124988315.db2.gz RHPYOBIGTCILBF-UHFFFAOYSA-N 0 1 288.844 3.626 20 0 CHADMN CC[C@@H](NCc1cccc(F)c1N)c1ccccc1OC ZINC000876928215 1124991432 /nfs/dbraw/zinc/99/14/32/1124991432.db2.gz WYZVXRPFTYWKBR-OAHLLOKOSA-N 0 1 288.366 3.657 20 0 CHADMN CC[C@H](CC(F)(F)F)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000450362732 1124993719 /nfs/dbraw/zinc/99/37/19/1124993719.db2.gz SFZWAKLXSTZBKV-ZCFIWIBFSA-N 0 1 299.243 3.573 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2cncs2)cc1 ZINC000120868381 1124997238 /nfs/dbraw/zinc/99/72/38/1124997238.db2.gz POIDSSQTPMZKDY-INIZCTEOSA-N 0 1 288.416 3.879 20 0 CHADMN CC(C)[C@@H]1N(Cc2ccncc2Cl)CC12CCC2 ZINC000529574218 1124998512 /nfs/dbraw/zinc/99/85/12/1124998512.db2.gz PHTCZMFNSRGBDH-AWEZNQCLSA-N 0 1 264.800 3.746 20 0 CHADMN CCC(CC)c1cc(CNC[C@@H]2CC2(Cl)Cl)on1 ZINC000877064109 1125003937 /nfs/dbraw/zinc/00/39/37/1125003937.db2.gz NEBMNHAATIKWHG-JTQLQIEISA-N 0 1 291.222 3.862 20 0 CHADMN CO[C@H]1CCN(Cc2ccsc2C(F)(F)F)C[C@@H]1C ZINC000529595138 1125005037 /nfs/dbraw/zinc/00/50/37/1125005037.db2.gz SOSFCVUPSJPGTL-ONGXEEELSA-N 0 1 293.354 3.624 20 0 CHADMN Cc1cccc([C@@H](NC[C@@H]2CCCCO2)c2ccccn2)c1 ZINC000877123332 1125011499 /nfs/dbraw/zinc/01/14/99/1125011499.db2.gz JJNVLCRIVMJJJS-PKOBYXMFSA-N 0 1 296.414 3.638 20 0 CHADMN CCC[C@H](O)CN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000450405763 1125013221 /nfs/dbraw/zinc/01/32/21/1125013221.db2.gz FBBJLDOBKKHMNC-LSDHHAIUSA-N 0 1 299.867 3.591 20 0 CHADMN C[C@@H]1CCN(Cc2ccc3nonc3c2)[C@H](c2ccco2)C1 ZINC000821380209 1131325474 /nfs/dbraw/zinc/32/54/74/1131325474.db2.gz NWBWFMLHNWASBO-WBMJQRKESA-N 0 1 297.358 3.789 20 0 CHADMN CCN(Cc1cccc(C(=O)OC)c1Cl)C1CCC1 ZINC000450417982 1125019642 /nfs/dbraw/zinc/01/96/42/1125019642.db2.gz DOUOFZBHJUZDDL-UHFFFAOYSA-N 0 1 281.783 3.501 20 0 CHADMN CCOc1cc(F)cc(CN(C)[C@@H](C)c2cccnc2)c1 ZINC000877316866 1125022130 /nfs/dbraw/zinc/02/21/30/1125022130.db2.gz AQFPBVUMQZYNIO-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN CN(Cc1nc(Cl)cs1)C[C@H]1CC=CCC1 ZINC000877307332 1125022283 /nfs/dbraw/zinc/02/22/83/1125022283.db2.gz GIZXOIWVPPXMAH-JTQLQIEISA-N 0 1 256.802 3.585 20 0 CHADMN CC[C@H]1CCCCCN1Cc1nnc(C(C)C)s1 ZINC000450430048 1125022342 /nfs/dbraw/zinc/02/23/42/1125022342.db2.gz OTAGMSVJYICJRW-LBPRGKRZSA-N 0 1 267.442 3.816 20 0 CHADMN Cc1ccc(CN2CCC(c3nccc(C)n3)CC2)c(F)c1 ZINC000877330426 1125022426 /nfs/dbraw/zinc/02/24/26/1125022426.db2.gz CQIRZZCCWHPFBY-UHFFFAOYSA-N 0 1 299.393 3.612 20 0 CHADMN CCC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C(C)=O)ccc1O ZINC000450436174 1125023472 /nfs/dbraw/zinc/02/34/72/1125023472.db2.gz IUPPNWDATQKFIU-JSGCOSHPSA-N 0 1 289.375 3.750 20 0 CHADMN COCCC1CCN(Cc2cc(Cl)cs2)CC1 ZINC000529637590 1125024387 /nfs/dbraw/zinc/02/43/87/1125024387.db2.gz GJHUECFULHACQU-UHFFFAOYSA-N 0 1 273.829 3.650 20 0 CHADMN C[C@@]1(CN2CCC[C@@H]2c2ncc[nH]2)C[C@H]1c1ccccc1 ZINC000877344864 1125024606 /nfs/dbraw/zinc/02/46/06/1125024606.db2.gz QHAGPLWFHQBZMT-JZXOWHBKSA-N 0 1 281.403 3.740 20 0 CHADMN CSc1ccc(CCNCc2nc(Cl)cs2)cc1 ZINC000877495293 1125034990 /nfs/dbraw/zinc/03/49/90/1125034990.db2.gz AYAYCQCAAWGBLA-UHFFFAOYSA-N 0 1 298.864 3.851 20 0 CHADMN CC1=C(C)C[C@@](C)(C(=O)NCc2ccc3nc[nH]c3c2)CC1 ZINC000821385469 1131327172 /nfs/dbraw/zinc/32/71/72/1131327172.db2.gz MLMIPICOMPKYTH-SFHVURJKSA-N 0 1 297.402 3.706 20 0 CHADMN Oc1ccc(C2=CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000302910469 1125044575 /nfs/dbraw/zinc/04/45/75/1125044575.db2.gz LCKJZWVWFXDTOF-UHFFFAOYSA-N 0 1 283.346 3.821 20 0 CHADMN CCCc1ccc([C@H](NCc2cnns2)C(C)C)cc1 ZINC000450505279 1125047386 /nfs/dbraw/zinc/04/73/86/1125047386.db2.gz CDSLVKWBOJYJDR-MRXNPFEDSA-N 0 1 289.448 3.978 20 0 CHADMN C[C@@H](NCc1ccc2nonc2c1)c1ccccc1Cl ZINC000821386664 1131327666 /nfs/dbraw/zinc/32/76/66/1131327666.db2.gz MMBBKYBTSKUACL-SNVBAGLBSA-N 0 1 287.750 3.727 20 0 CHADMN CC(C)(C)Oc1cccc(CN2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000877614355 1125053577 /nfs/dbraw/zinc/05/35/77/1125053577.db2.gz CIHOVKMVNXORON-OKILXGFUSA-N 0 1 281.346 3.561 20 0 CHADMN Clc1nccc2oc(CN3CCC34CCCC4)cc21 ZINC000877610726 1125054656 /nfs/dbraw/zinc/05/46/56/1125054656.db2.gz XWMGABNGYGGRNT-UHFFFAOYSA-N 0 1 276.767 4.000 20 0 CHADMN Cc1csc(C(C)(C)NCC2=CCCCC2)n1 ZINC000450562271 1125057046 /nfs/dbraw/zinc/05/70/46/1125057046.db2.gz GLMXMFBRWHGUKP-UHFFFAOYSA-N 0 1 250.411 3.777 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)[C@]3(C)CC=CCC3)ccc12 ZINC000450567501 1125059473 /nfs/dbraw/zinc/05/94/73/1125059473.db2.gz YMYIZEVYPZPRLF-MRXNPFEDSA-N 0 1 269.348 3.556 20 0 CHADMN Cc1cccc([C@@H](NCc2ccc(Cl)nn2)C(C)C)c1 ZINC000877657450 1125060176 /nfs/dbraw/zinc/06/01/76/1125060176.db2.gz ZOQPVMTZMVIXDJ-INIZCTEOSA-N 0 1 289.810 3.925 20 0 CHADMN C[C@H](N[C@H]1c2cccc(F)c2CC[C@H]1C)c1cn(C)cn1 ZINC000925229684 1125063218 /nfs/dbraw/zinc/06/32/18/1125063218.db2.gz PPSHGVKSSWLWTR-BWACUDIHSA-N 0 1 287.382 3.533 20 0 CHADMN FC(F)(F)[C@@H]1C[C@H]1NCc1cc2c(ccnc2Cl)o1 ZINC000877703694 1125065791 /nfs/dbraw/zinc/06/57/91/1125065791.db2.gz PZCQYVOPDACAAQ-RKDXNWHRSA-N 0 1 290.672 3.522 20 0 CHADMN CC(C)OCCCN[C@H](C)c1csc(C(C)C)n1 ZINC000121219253 1125066808 /nfs/dbraw/zinc/06/68/08/1125066808.db2.gz UNQDJNIJVDPMEY-GFCCVEGCSA-N 0 1 270.442 3.732 20 0 CHADMN COc1cc(CN(C)[C@H](C)c2ccccn2)ccc1Cl ZINC000450630427 1125068043 /nfs/dbraw/zinc/06/80/43/1125068043.db2.gz SLQSPNINFSWSRU-GFCCVEGCSA-N 0 1 290.794 3.937 20 0 CHADMN CC(C)c1nc([C@@H](C)NCC2(O)CCCCC2)cs1 ZINC000121237241 1125070396 /nfs/dbraw/zinc/07/03/96/1125070396.db2.gz LCZKBMJBKQYNOB-GFCCVEGCSA-N 0 1 282.453 3.612 20 0 CHADMN FC(F)(F)[C@@H]1CC=CC[C@H]1NCc1nc2ccccc2o1 ZINC000877761404 1125077106 /nfs/dbraw/zinc/07/71/06/1125077106.db2.gz VSUCCBYXDHYOQY-GHMZBOCLSA-N 0 1 296.292 3.815 20 0 CHADMN CC(C)(C)[C@H]1C[C@H](NCc2ncc(Cl)s2)CS1 ZINC000877806717 1125082091 /nfs/dbraw/zinc/08/20/91/1125082091.db2.gz JQBFYIKYKWNUMC-DTWKUNHWSA-N 0 1 290.885 3.806 20 0 CHADMN C[C@]1(C(F)(F)F)CCN(Cc2cc3ccccc3[nH]2)C1 ZINC000877812250 1125082879 /nfs/dbraw/zinc/08/28/79/1125082879.db2.gz KNTIDEQAVCUMMM-AWEZNQCLSA-N 0 1 282.309 3.942 20 0 CHADMN C[C@]1(C(F)(F)F)CCN(Cc2scnc2C2CC2)C1 ZINC000877811991 1125083472 /nfs/dbraw/zinc/08/34/72/1125083472.db2.gz DRIZDRHXRFTZGG-LBPRGKRZSA-N 0 1 290.354 3.795 20 0 CHADMN Cc1sccc1CN1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000877819478 1125085106 /nfs/dbraw/zinc/08/51/06/1125085106.db2.gz CBLXDYSDCUYYGL-BXKDBHETSA-N 0 1 293.354 3.598 20 0 CHADMN FC1(F)CC(CSc2nc(-c3ccccc3)n[nH]2)C1 ZINC000450683127 1125085584 /nfs/dbraw/zinc/08/55/84/1125085584.db2.gz RKMHHMZEZXDVRK-UHFFFAOYSA-N 0 1 281.331 3.609 20 0 CHADMN Cc1sccc1CN1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000877819484 1125086197 /nfs/dbraw/zinc/08/61/97/1125086197.db2.gz CBLXDYSDCUYYGL-SKDRFNHKSA-N 0 1 293.354 3.598 20 0 CHADMN FC(F)(F)[C@@H]1CCN(Cc2ccccc2C2CC2)CCO1 ZINC000877819318 1125086704 /nfs/dbraw/zinc/08/67/04/1125086704.db2.gz BTWRQLZPHSEMOP-HNNXBMFYSA-N 0 1 299.336 3.717 20 0 CHADMN Cc1nccnc1[C@H](C)NC[C@H](OC(C)C)c1ccccc1 ZINC000877828466 1125087617 /nfs/dbraw/zinc/08/76/17/1125087617.db2.gz KJGHHEHSWQAOCJ-RDJZCZTQSA-N 0 1 299.418 3.602 20 0 CHADMN Clc1csc(CNC2CC(Nc3ccccc3)C2)n1 ZINC000877829680 1125087774 /nfs/dbraw/zinc/08/77/74/1125087774.db2.gz ZSTGEXUBIVBFOB-UHFFFAOYSA-N 0 1 293.823 3.529 20 0 CHADMN Cc1nc[nH]c1C(=O)N1CCCc2cc(C(C)(C)C)ccc21 ZINC000821449034 1131330715 /nfs/dbraw/zinc/33/07/15/1131330715.db2.gz MZZMMLHWJPRUGL-UHFFFAOYSA-N 0 1 297.402 3.609 20 0 CHADMN CC1(NCc2ccc3ccc(F)c(F)c3n2)CC(F)(F)C1 ZINC000877834580 1125090044 /nfs/dbraw/zinc/09/00/44/1125090044.db2.gz UADYRGVYOBZLFJ-UHFFFAOYSA-N 0 1 298.283 3.790 20 0 CHADMN Cc1cc([C@@H]2CCCN2CC[C@@H]2CCCC2(F)F)no1 ZINC000877922353 1125102305 /nfs/dbraw/zinc/10/23/05/1125102305.db2.gz RLNWRLUVCMACIG-JSGCOSHPSA-N 0 1 284.350 3.945 20 0 CHADMN Cc1cc([C@H]2CCCN2CC[C@@H]2CCCC2(F)F)no1 ZINC000877922344 1125102778 /nfs/dbraw/zinc/10/27/78/1125102778.db2.gz RLNWRLUVCMACIG-GXTWGEPZSA-N 0 1 284.350 3.945 20 0 CHADMN C[C@@H]1[C@H](C)SCCN1Cc1cccc(Cl)c1 ZINC000303720046 1125141385 /nfs/dbraw/zinc/14/13/85/1125141385.db2.gz RNJSCMMENGJRBY-MNOVXSKESA-N 0 1 255.814 3.666 20 0 CHADMN C[C@@H](c1ccc(CSc2cn[nH]n2)cc1)C(F)(F)F ZINC000450860152 1125113302 /nfs/dbraw/zinc/11/33/02/1125113302.db2.gz NMDDGZIEUATDSM-QMMMGPOBSA-N 0 1 287.310 3.763 20 0 CHADMN c1ccc([C@@H]2CC[C@@H](CN3Cc4ccccc4C3)O2)cc1 ZINC000878079311 1125117569 /nfs/dbraw/zinc/11/75/69/1125117569.db2.gz UOLMDFDJAINALU-OALUTQOASA-N 0 1 279.383 3.923 20 0 CHADMN CC[C@H](C)CN(C)Cc1coc(-c2ccccc2OC)n1 ZINC000878094995 1125118512 /nfs/dbraw/zinc/11/85/12/1125118512.db2.gz YWQRZMCTWJHEKT-ZDUSSCGKSA-N 0 1 288.391 3.828 20 0 CHADMN C[C@H](C1CC1)N(CC(=O)c1c[nH]c2ccccc12)C1CC1 ZINC000121400888 1125119736 /nfs/dbraw/zinc/11/97/36/1125119736.db2.gz RSCVAWJCUGKEJR-GFCCVEGCSA-N 0 1 282.387 3.614 20 0 CHADMN Cc1conc1CN(C)[C@H](c1ccccc1)C(C)C ZINC000878101132 1125119944 /nfs/dbraw/zinc/11/99/44/1125119944.db2.gz MNQLZECJUCUSBT-INIZCTEOSA-N 0 1 258.365 3.812 20 0 CHADMN CC(C)(C)[C@@H]1CCCN(Cc2nnc(C3CC3)s2)C1 ZINC000450899496 1125120001 /nfs/dbraw/zinc/12/00/01/1125120001.db2.gz SLGWWUXEVAIERH-GFCCVEGCSA-N 0 1 279.453 3.674 20 0 CHADMN CCN(Cc1coc(-c2ccccc2OC)n1)C1CCC1 ZINC000878116402 1125120904 /nfs/dbraw/zinc/12/09/04/1125120904.db2.gz NQPXOYHXNFJWMH-UHFFFAOYSA-N 0 1 286.375 3.725 20 0 CHADMN C[C@@H]1c2ccccc2CN1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878158078 1125125226 /nfs/dbraw/zinc/12/52/26/1125125226.db2.gz SXZUONQTIMJUPP-RPCCPQHDSA-N 0 1 257.377 3.521 20 0 CHADMN C[C@@H]1c2ccccc2CN1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878158076 1125126055 /nfs/dbraw/zinc/12/60/55/1125126055.db2.gz SXZUONQTIMJUPP-LNCBFAARSA-N 0 1 257.377 3.521 20 0 CHADMN C[C@H]1c2ccccc2CN1C[C@@H]1CC2(CCC2)CO1 ZINC000878157664 1125126114 /nfs/dbraw/zinc/12/61/14/1125126114.db2.gz JRMBXWPAUSKZJN-ZFWWWQNUSA-N 0 1 257.377 3.522 20 0 CHADMN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])CC1CC(C)(C)C1 ZINC000530167281 1125126860 /nfs/dbraw/zinc/12/68/60/1125126860.db2.gz YKWFDEBRYJXKES-INIZCTEOSA-N 0 1 289.419 3.961 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1CCCC1CCCC1 ZINC000530173594 1125130348 /nfs/dbraw/zinc/13/03/48/1125130348.db2.gz GAQXEEJHDAFOMV-AGGWBTHJSA-N 0 1 267.413 3.530 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000530171566 1125130633 /nfs/dbraw/zinc/13/06/33/1125130633.db2.gz BZJMUIXXVFBQPC-FVCICTRLSA-N 0 1 287.403 3.638 20 0 CHADMN C=C/C=C\CCN(CC)CC(=O)Nc1c(C)cccc1C ZINC000878257129 1125135284 /nfs/dbraw/zinc/13/52/84/1125135284.db2.gz MAKWJKNOBVNKRZ-FPLPWBNLSA-N 0 1 286.419 3.696 20 0 CHADMN CC1(C)CCN1C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878254330 1125135480 /nfs/dbraw/zinc/13/54/80/1125135480.db2.gz RZKONZVAETXWHZ-GFCCVEGCSA-N 0 1 274.191 3.511 20 0 CHADMN C=C/C=C/CCN(CC)CC(=O)Nc1c(C)cccc1C ZINC000878257128 1125136011 /nfs/dbraw/zinc/13/60/11/1125136011.db2.gz MAKWJKNOBVNKRZ-BQYQJAHWSA-N 0 1 286.419 3.696 20 0 CHADMN Cc1cc(CN2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)on1 ZINC000451140751 1125137208 /nfs/dbraw/zinc/13/72/08/1125137208.db2.gz CLPWBZQZCVWERA-AXFHLTTASA-N 0 1 276.302 3.534 20 0 CHADMN CC(C)CC[C@H](C)NC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC001124261849 1131334554 /nfs/dbraw/zinc/33/45/54/1131334554.db2.gz KPRGHBCRRVFKCS-JTQLQIEISA-N 0 1 293.798 3.771 20 0 CHADMN CC(C)CC[C@@H](C)NC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC001124261850 1131334626 /nfs/dbraw/zinc/33/46/26/1131334626.db2.gz KPRGHBCRRVFKCS-SNVBAGLBSA-N 0 1 293.798 3.771 20 0 CHADMN Cc1cnc([C@H](C)N2CCC(C(C)(C)C)CC2)o1 ZINC000530361404 1125145442 /nfs/dbraw/zinc/14/54/42/1125145442.db2.gz ICBUOYKGGGJFKI-LBPRGKRZSA-N 0 1 250.386 3.802 20 0 CHADMN Cc1cccc([C@H]2CCN(Cc3nc4c(o3)CCCC4)C2)c1 ZINC000878405279 1125149974 /nfs/dbraw/zinc/14/99/74/1125149974.db2.gz DPBIMBCEJYGIBY-INIZCTEOSA-N 0 1 296.414 3.851 20 0 CHADMN COc1ccccc1CN(C)C[C@@H]1CCC2(CCCC2)O1 ZINC000530419692 1125151084 /nfs/dbraw/zinc/15/10/84/1125151084.db2.gz RZZQTLVERHVQAZ-INIZCTEOSA-N 0 1 289.419 3.619 20 0 CHADMN Clc1ncsc1CN(CC1CC1)C1CCC1 ZINC000878543406 1125161012 /nfs/dbraw/zinc/16/10/12/1125161012.db2.gz ASPKEXZRCSFVRE-UHFFFAOYSA-N 0 1 256.802 3.561 20 0 CHADMN Cc1noc([C@H]2CCC[N@@H+]2C[C@@H](C)CC(C)(C)C)n1 ZINC000878613964 1125166077 /nfs/dbraw/zinc/16/60/77/1125166077.db2.gz APCCZNAPNZRGAN-WCQYABFASA-N 0 1 265.401 3.587 20 0 CHADMN Cc1ccc(CN(C)[C@H](C)c2ccc(F)c(F)c2)cn1 ZINC000122065587 1125170045 /nfs/dbraw/zinc/17/00/45/1125170045.db2.gz PNCLBPNNQHJIRO-GFCCVEGCSA-N 0 1 276.330 3.861 20 0 CHADMN FC(F)Oc1ccccc1CN1CCSC[C@H]1C1CC1 ZINC000451646334 1125170546 /nfs/dbraw/zinc/17/05/46/1125170546.db2.gz IKDUMPPANTZNBO-ZDUSSCGKSA-N 0 1 299.386 3.615 20 0 CHADMN Cc1ccc(CN(C)C[C@@H]2CC[C@@H](c3ccccc3)O2)nc1 ZINC000878669264 1125171272 /nfs/dbraw/zinc/17/12/72/1125171272.db2.gz XDOINPVWQMJRLP-OALUTQOASA-N 0 1 296.414 3.742 20 0 CHADMN FC(F)(F)c1coc(CN2CC[C@H](c3cccnc3)C2)c1 ZINC000878760745 1125177798 /nfs/dbraw/zinc/17/77/98/1125177798.db2.gz QLIUDBLTLHOSDW-LBPRGKRZSA-N 0 1 296.292 3.683 20 0 CHADMN COc1ccc(C)cc1CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000530754884 1125178170 /nfs/dbraw/zinc/17/81/70/1125178170.db2.gz WSBPDUVXYYMMTK-DOTOQJQBSA-N 0 1 291.460 3.864 20 0 CHADMN Cc1conc1CN1CCC[C@H]1c1c(C)cccc1C ZINC000878886030 1125183875 /nfs/dbraw/zinc/18/38/75/1125183875.db2.gz YMTUCVAXCWXYNH-INIZCTEOSA-N 0 1 270.376 3.937 20 0 CHADMN C[C@H](NCc1nc2c(o1)CCCC2)C1CCC(F)CC1 ZINC000878990019 1125189159 /nfs/dbraw/zinc/18/91/59/1125189159.db2.gz VXZYJCHSJZLAGE-HIFPTAJRSA-N 0 1 280.387 3.560 20 0 CHADMN C[C@H](NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ncco1 ZINC000925240249 1125189396 /nfs/dbraw/zinc/18/93/96/1125189396.db2.gz OKVFOXSWTGCUFN-HBNTYKKESA-N 0 1 276.302 3.694 20 0 CHADMN CCc1ccc(CN[C@H](COC)c2ccc(F)cc2)s1 ZINC000530967887 1125189497 /nfs/dbraw/zinc/18/94/97/1125189497.db2.gz BFXCPOUOMCJVBI-MRXNPFEDSA-N 0 1 293.407 3.927 20 0 CHADMN CC1(C)C[N@@H+](C[C@H]2CCCC(C)(C)O2)[C@H]1c1ccncc1 ZINC000879009772 1125190990 /nfs/dbraw/zinc/19/09/90/1125190990.db2.gz GWBCVSPSHABUEQ-CVEARBPZSA-N 0 1 288.435 3.812 20 0 CHADMN CC1(C)CN(C[C@H]2CCCC(C)(C)O2)[C@H]1c1ccncc1 ZINC000879009772 1125190993 /nfs/dbraw/zinc/19/09/93/1125190993.db2.gz GWBCVSPSHABUEQ-CVEARBPZSA-N 0 1 288.435 3.812 20 0 CHADMN C[C@H]1c2ccccc2C[N@@H+]1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000879021395 1125191296 /nfs/dbraw/zinc/19/12/96/1125191296.db2.gz SXZUONQTIMJUPP-YXPYIKCWSA-N 0 1 257.377 3.521 20 0 CHADMN C[C@H]1c2ccccc2CN1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000879021395 1125191300 /nfs/dbraw/zinc/19/13/00/1125191300.db2.gz SXZUONQTIMJUPP-YXPYIKCWSA-N 0 1 257.377 3.521 20 0 CHADMN COc1cccc2c1CN(CC[C@@H]1CCCC1(F)F)C2 ZINC000879054054 1125193592 /nfs/dbraw/zinc/19/35/92/1125193592.db2.gz KDABTYISTVMULX-ZDUSSCGKSA-N 0 1 281.346 3.836 20 0 CHADMN CC(C)OC1CCN([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000531163484 1125197907 /nfs/dbraw/zinc/19/79/07/1125197907.db2.gz ARUVSDTYFKJPOL-GFCCVEGCSA-N 0 1 283.362 3.915 20 0 CHADMN C[C@H](CCC1CCCCC1)NCc1noc2c1COCC2 ZINC000897367155 1125201001 /nfs/dbraw/zinc/20/10/01/1125201001.db2.gz UCQGFLNMUUGPGN-CYBMUJFWSA-N 0 1 292.423 3.586 20 0 CHADMN Cc1cccc2c(CN(C)Cc3ccccc3)[nH]nc21 ZINC001137141984 1125204047 /nfs/dbraw/zinc/20/40/47/1125204047.db2.gz PXSIJPKZDPUQQK-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN Cc1nc2ccccn2c1CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000531250700 1125204526 /nfs/dbraw/zinc/20/45/26/1125204526.db2.gz UUFXWBVELGDDHB-DOMZBBRYSA-N 0 1 295.386 3.649 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C[C@@H]3C[C@H]3C3CC3)c2C)o1 ZINC000879223505 1125204548 /nfs/dbraw/zinc/20/45/48/1125204548.db2.gz SBVJECHNMYOSNY-STQMWFEESA-N 0 1 299.374 3.661 20 0 CHADMN Fc1ccc(CN2CC[C@@H]2Cc2ccccc2)c(F)c1 ZINC000531249735 1125205182 /nfs/dbraw/zinc/20/51/82/1125205182.db2.gz SMJHAMZMFAQLDM-MRXNPFEDSA-N 0 1 273.326 3.782 20 0 CHADMN C[C@H](NCc1nc2c(o1)CCCC2)[C@]12C[C@H]1CCCC2 ZINC000879266328 1125205252 /nfs/dbraw/zinc/20/52/52/1125205252.db2.gz NGWDCEKXUNNKSC-AHIWAGSCSA-N 0 1 274.408 3.612 20 0 CHADMN C[C@H]1CN(Cc2csc(-c3ccoc3)n2)CC[C@@H]1C ZINC000122975180 1125215217 /nfs/dbraw/zinc/21/52/17/1125215217.db2.gz UKFHNHUAVFKMEG-RYUDHWBXSA-N 0 1 276.405 3.881 20 0 CHADMN CC(C)OC1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000531403831 1125216543 /nfs/dbraw/zinc/21/65/43/1125216543.db2.gz VMLWYPHOSRQYGF-GFCCVEGCSA-N 0 1 283.362 3.915 20 0 CHADMN COC[C@@H](NCc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000531444669 1125218925 /nfs/dbraw/zinc/21/89/25/1125218925.db2.gz XXVNKWVOUATUEU-MRXNPFEDSA-N 0 1 293.769 3.956 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNCc2cccc3c[nH]nc32)o1 ZINC000531452466 1125219942 /nfs/dbraw/zinc/21/99/42/1125219942.db2.gz ZNCUHOBHSACQSG-IAQYHMDHSA-N 0 1 281.359 3.569 20 0 CHADMN C[C@H]1C[C@H]1c1ccc(CNCc2cccc3c[nH]nc32)o1 ZINC000531452470 1125219952 /nfs/dbraw/zinc/21/99/52/1125219952.db2.gz ZNCUHOBHSACQSG-XHDPSFHLSA-N 0 1 281.359 3.569 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1nnc(-c2ccccc2Cl)o1 ZINC000123073663 1125221749 /nfs/dbraw/zinc/22/17/49/1125221749.db2.gz VIFNSZHFTMXGEY-PHIMTYICSA-N 0 1 291.782 3.763 20 0 CHADMN CC1(C)[C@@H](c2ccccc2F)CCN1Cc1ccon1 ZINC000879638648 1125222173 /nfs/dbraw/zinc/22/21/73/1125222173.db2.gz ABMCENHWMAKRLR-CQSZACIVSA-N 0 1 274.339 3.582 20 0 CHADMN FC(F)(F)[C@@H]1CC=CC[C@H]1NCc1ccc(Cl)cn1 ZINC000879670794 1125223916 /nfs/dbraw/zinc/22/39/16/1125223916.db2.gz DEBKCYORFZAACL-VXGBXAGGSA-N 0 1 290.716 3.722 20 0 CHADMN CSc1ccccc1NC(=O)c1cccc(F)c1O ZINC001124324231 1131340639 /nfs/dbraw/zinc/34/06/39/1131340639.db2.gz MJCJQWDPHSHHFN-UHFFFAOYSA-N 0 1 277.320 3.506 20 0 CHADMN Cc1nc2ccc(NC(=O)Cc3ccc(C)c(C)c3)cc2[nH]1 ZINC000532185908 1125238222 /nfs/dbraw/zinc/23/82/22/1125238222.db2.gz YAYHORZVXLDZII-UHFFFAOYSA-N 0 1 293.370 3.669 20 0 CHADMN Cc1cccc2c(CN3CC4(C3)CCCCC4)[nH]nc21 ZINC001137149284 1125246391 /nfs/dbraw/zinc/24/63/91/1125246391.db2.gz MWKIHONNUDOWIU-UHFFFAOYSA-N 0 1 269.392 3.637 20 0 CHADMN COc1ccc(-c2cccc(CN(C)C)c2F)cc1 ZINC001239486582 1131342485 /nfs/dbraw/zinc/34/24/85/1131342485.db2.gz YQPXWHQQPCKZOO-UHFFFAOYSA-N 0 1 259.324 3.563 20 0 CHADMN FC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000880234642 1125258412 /nfs/dbraw/zinc/25/84/12/1125258412.db2.gz KKGGVKDVKQKIRX-LBPRGKRZSA-N 0 1 292.329 3.662 20 0 CHADMN Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H](CF)C2)o1 ZINC000880232943 1125259086 /nfs/dbraw/zinc/25/90/86/1125259086.db2.gz RYLRFXXEVOIAAR-AWEZNQCLSA-N 0 1 288.366 3.832 20 0 CHADMN Cc1ccccc1-c1cnc(CN2CCC[C@@H](CF)C2)o1 ZINC000880232943 1125259089 /nfs/dbraw/zinc/25/90/89/1125259089.db2.gz RYLRFXXEVOIAAR-AWEZNQCLSA-N 0 1 288.366 3.832 20 0 CHADMN FC1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000880243181 1125259308 /nfs/dbraw/zinc/25/93/08/1125259308.db2.gz DMTMJBABALMWJE-UHFFFAOYSA-N 0 1 276.380 3.744 20 0 CHADMN CSCCCSc1nc2ccc(C)cc2[nH]1 ZINC000610207638 1125259506 /nfs/dbraw/zinc/25/95/06/1125259506.db2.gz FCNQKZQQEGQPCW-UHFFFAOYSA-N 0 1 252.408 3.717 20 0 CHADMN c1csc(-c2nc(CNC3(C4CC4)CC3)cs2)c1 ZINC000532374351 1125260417 /nfs/dbraw/zinc/26/04/17/1125260417.db2.gz KLKUOTFPTJJQBS-UHFFFAOYSA-N 0 1 276.430 3.904 20 0 CHADMN CC(C)(CC(=O)Nc1ccc(F)c(F)c1O)CC(F)F ZINC000880257116 1125260957 /nfs/dbraw/zinc/26/09/57/1125260957.db2.gz UYKLOEBWHSTTCR-UHFFFAOYSA-N 0 1 293.260 3.680 20 0 CHADMN Fc1cccc(Cl)c1CN1CC[C@@H](c2nccs2)C1 ZINC000880312961 1125264019 /nfs/dbraw/zinc/26/40/19/1125264019.db2.gz AYYCHFHTHDMCKQ-SNVBAGLBSA-N 0 1 296.798 3.925 20 0 CHADMN Fc1ccc(Cl)c(CN2CC[C@H](c3nccs3)C2)c1 ZINC000880319229 1125265551 /nfs/dbraw/zinc/26/55/51/1125265551.db2.gz DDXKBOLOIYVQGG-JTQLQIEISA-N 0 1 296.798 3.925 20 0 CHADMN Clc1sccc1CN1CC[C@H](c2nccs2)C1 ZINC000880323722 1125265594 /nfs/dbraw/zinc/26/55/94/1125265594.db2.gz VENLEODLMMIAGS-JTQLQIEISA-N 0 1 284.837 3.848 20 0 CHADMN CC=CC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000005806798 1125266776 /nfs/dbraw/zinc/26/67/76/1125266776.db2.gz BLMYVSALUZRRMH-DJWKRKHSSA-N 0 1 277.327 3.745 20 0 CHADMN C[C@@H](N[C@@H](C)c1cncs1)c1ccc(F)cc1 ZINC000128454432 1125276985 /nfs/dbraw/zinc/27/69/85/1125276985.db2.gz CHJDYEHPJPFEFR-ZJUUUORDSA-N 0 1 250.342 3.694 20 0 CHADMN Cc1csc(C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC001137158238 1125289019 /nfs/dbraw/zinc/28/90/19/1125289019.db2.gz JRBJKHPAWNKXRH-UHFFFAOYSA-N 0 1 265.422 3.592 20 0 CHADMN Cc1csc(CN2CCN(c3cccc(F)c3)CC2)c1 ZINC001137159738 1125292663 /nfs/dbraw/zinc/29/26/63/1125292663.db2.gz KIJLYTXDSMKRNI-UHFFFAOYSA-N 0 1 290.407 3.518 20 0 CHADMN Fc1cnccc1CN[C@@H](CC1CC1)c1ccccc1 ZINC000648454919 1125306376 /nfs/dbraw/zinc/30/63/76/1125306376.db2.gz HMOXUEBRGQWBAK-KRWDZBQOSA-N 0 1 270.351 3.852 20 0 CHADMN COc1ccc([C@@H](C)NCc2cncn2C(C)C)cc1C ZINC000897415332 1125317247 /nfs/dbraw/zinc/31/72/47/1125317247.db2.gz XZMJFSZAUKMUBC-CQSZACIVSA-N 0 1 287.407 3.632 20 0 CHADMN Cc1ncc(CN[C@@H]2CCCc3c4ccccc4[nH]c32)o1 ZINC000397963341 1125329981 /nfs/dbraw/zinc/32/99/81/1125329981.db2.gz WGDIAUPOQYGSRD-MRXNPFEDSA-N 0 1 281.359 3.632 20 0 CHADMN C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](F)C1 ZINC001168181432 1125349360 /nfs/dbraw/zinc/34/93/60/1125349360.db2.gz ZFEHCVQIDZZZPK-BXUZGUMPSA-N 0 1 255.764 3.705 20 0 CHADMN Cc1cc(CN2CC3(CC(F)C3)C2)ccc1C(F)(F)F ZINC000666391206 1125359583 /nfs/dbraw/zinc/35/95/83/1125359583.db2.gz SPQVLXFIUWKZMV-UHFFFAOYSA-N 0 1 287.300 3.948 20 0 CHADMN COc1ccc([C@H](NCc2nc(C(C)C)c[nH]2)C2CC2)cc1 ZINC000882881433 1125360137 /nfs/dbraw/zinc/36/01/37/1125360137.db2.gz NCDZVHXNJXQJBP-GOSISDBHSA-N 0 1 299.418 3.783 20 0 CHADMN C[C@@H](N[C@H]1CCc2c1cccc2O)c1ccnc(Cl)c1 ZINC000130507250 1125362907 /nfs/dbraw/zinc/36/29/07/1125362907.db2.gz IFVBXDCIOOHXCR-YGRLFVJLSA-N 0 1 288.778 3.779 20 0 CHADMN Cc1ccc(-c2nc(CN[C@@H]3CS[C@@H](C)C3)co2)cc1 ZINC000666418262 1125365471 /nfs/dbraw/zinc/36/54/71/1125365471.db2.gz VLZCEJAJSTZHQH-JSGCOSHPSA-N 0 1 288.416 3.634 20 0 CHADMN Fc1cccc(F)c1C1(CNCc2nccs2)CCC1 ZINC000666420225 1125366237 /nfs/dbraw/zinc/36/62/37/1125366237.db2.gz CEJRELODXWQWOS-UHFFFAOYSA-N 0 1 294.370 3.633 20 0 CHADMN CC(C)c1c[nH]c(CN[C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)n1 ZINC000883032321 1125368806 /nfs/dbraw/zinc/36/88/06/1125368806.db2.gz DIIHWMNHQSVFPU-SNUQEOBHSA-N 0 1 299.418 3.576 20 0 CHADMN COC(=O)c1ccc(CN(Cc2ccc(C)o2)C2CC2)cc1 ZINC000051965762 1125370839 /nfs/dbraw/zinc/37/08/39/1125370839.db2.gz VJRAUSWOCRKLSF-UHFFFAOYSA-N 0 1 299.370 3.539 20 0 CHADMN Cc1ccc(-c2noc([C@@H](C)N3[C@H](C)CC[C@@H]3C)n2)o1 ZINC000350805234 1125372733 /nfs/dbraw/zinc/37/27/33/1125372733.db2.gz NFNTYMXCGYNFTE-JFGNBEQYSA-N 0 1 275.352 3.572 20 0 CHADMN Cc1ccnc(NCc2ccc3oc(=O)oc3c2)c1C1CC1 ZINC000883167031 1125374084 /nfs/dbraw/zinc/37/40/84/1125374084.db2.gz NUUHXJYSMNMWMZ-UHFFFAOYSA-N 0 1 296.326 3.579 20 0 CHADMN CC(C)c1cnc(CN2CC[C@@H](C3CCC3)C2)s1 ZINC000666487974 1125375676 /nfs/dbraw/zinc/37/56/76/1125375676.db2.gz ZJBSYKIZWOWXLA-CYBMUJFWSA-N 0 1 264.438 3.889 20 0 CHADMN C/C=C/C[C@@H]1CCCN(CC(=O)Nc2ccccc2C)C1 ZINC000626160680 1125375700 /nfs/dbraw/zinc/37/57/00/1125375700.db2.gz NGAVXYFNDZARGX-QDLOVBKTSA-N 0 1 286.419 3.612 20 0 CHADMN C/C=C\C[C@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000626160200 1125375797 /nfs/dbraw/zinc/37/57/97/1125375797.db2.gz CTUSPVHCCYYCGM-GWQWAINWSA-N 0 1 297.402 3.915 20 0 CHADMN CSc1ccc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)o1 ZINC000883199927 1125376746 /nfs/dbraw/zinc/37/67/46/1125376746.db2.gz UKMIGZPXPHERNE-GHMZBOCLSA-N 0 1 291.338 3.988 20 0 CHADMN CC[C@H](NCc1c[nH]nc1C)c1sccc1Cl ZINC000883205028 1125377506 /nfs/dbraw/zinc/37/75/06/1125377506.db2.gz NPSWPSBJEZWMRP-NSHDSACASA-N 0 1 269.801 3.674 20 0 CHADMN CC[C@@H](NCc1n[nH]c(C2CC2)n1)c1sccc1Cl ZINC000883225886 1125379906 /nfs/dbraw/zinc/37/99/06/1125379906.db2.gz OHFJHZGFGVEDIP-SNVBAGLBSA-N 0 1 296.827 3.638 20 0 CHADMN C/C=C\C[C@@H]1CCCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000626162170 1125381910 /nfs/dbraw/zinc/38/19/10/1125381910.db2.gz PRGLJAFOGMWGSQ-XQJDBVBESA-N 0 1 287.363 3.508 20 0 CHADMN CC(C)Oc1cc(Cl)ccc1CNCc1ccn(C)c1 ZINC000883259696 1125387194 /nfs/dbraw/zinc/38/71/94/1125387194.db2.gz VAQUVBGJFHGWAB-UHFFFAOYSA-N 0 1 292.810 3.756 20 0 CHADMN CC1(C)C[C@]1(C)CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000883261255 1125388203 /nfs/dbraw/zinc/38/82/03/1125388203.db2.gz WEBHVMCCNGUBRP-WMLDXEAASA-N 0 1 269.392 3.525 20 0 CHADMN COc1ccc(C2CC2)cc1CN[C@H](C)c1ccncc1 ZINC000883265527 1125388829 /nfs/dbraw/zinc/38/88/29/1125388829.db2.gz DTKQFYUEOKSWMA-CYBMUJFWSA-N 0 1 282.387 3.818 20 0 CHADMN C=C/C=C/CCN[C@H](C)c1nc(Br)cs1 ZINC000883268642 1125389469 /nfs/dbraw/zinc/38/94/69/1125389469.db2.gz PHZPSSGCPFACBP-XNPJLODASA-N 0 1 287.226 3.689 20 0 CHADMN Cc1ccc(CN[C@H]2CCc3ccccc32)c(Cl)n1 ZINC000883300907 1125392275 /nfs/dbraw/zinc/39/22/75/1125392275.db2.gz LFXRGFCRORDIDK-HNNXBMFYSA-N 0 1 272.779 3.821 20 0 CHADMN CCCCCC[C@H](C)NC1(c2ncccn2)CCC1 ZINC000883314186 1125394414 /nfs/dbraw/zinc/39/44/14/1125394414.db2.gz XXCMUWQJCPRXGO-AWEZNQCLSA-N 0 1 261.413 3.804 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccc(F)cc2)C2CC2)o1 ZINC000053036688 1125394587 /nfs/dbraw/zinc/39/45/87/1125394587.db2.gz DNAYAOOKEXHJIR-MRXNPFEDSA-N 0 1 259.324 3.968 20 0 CHADMN CN(CCCc1ccccc1)Cc1cc(-c2ccco2)on1 ZINC000046087680 1125396713 /nfs/dbraw/zinc/39/67/13/1125396713.db2.gz WULDLIOJDJWYFM-UHFFFAOYSA-N 0 1 296.370 3.999 20 0 CHADMN CCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(C)C ZINC000171020297 1125399606 /nfs/dbraw/zinc/39/96/06/1125399606.db2.gz IEBYRTJACWBDCX-UHFFFAOYSA-N 0 1 289.206 3.662 20 0 CHADMN CC1CCC(n2c(-c3ccccc3)cnc2CN)CC1 ZINC001168209405 1125413375 /nfs/dbraw/zinc/41/33/75/1125413375.db2.gz RVKZMTQSPLRQPC-UHFFFAOYSA-N 0 1 269.392 3.760 20 0 CHADMN CN(C/C=C/c1ccc(F)c(F)c1)Cc1ccccn1 ZINC000348228447 1125418183 /nfs/dbraw/zinc/41/81/83/1125418183.db2.gz HSTPFMQWMVSYFY-SNAWJCMRSA-N 0 1 274.314 3.505 20 0 CHADMN CO[C@@H](CN(C)Cc1ccc(Cl)nc1)c1ccccc1 ZINC000284347534 1125422296 /nfs/dbraw/zinc/42/22/96/1125422296.db2.gz JWNHDZLNTJHWTA-HNNXBMFYSA-N 0 1 290.794 3.555 20 0 CHADMN Fc1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)cc1Cl ZINC000121202321 1125428862 /nfs/dbraw/zinc/42/88/62/1125428862.db2.gz FMOREFVXZXWUFL-GFCCVEGCSA-N 0 1 293.773 3.582 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccc(Cl)cc1)c1cccnc1 ZINC000348244504 1125429136 /nfs/dbraw/zinc/42/91/36/1125429136.db2.gz NUWPKFFKWXWZRJ-MLGOLLRUSA-N 0 1 290.794 3.509 20 0 CHADMN CSc1ncc(CN(C)C2CCCCC2)c(Cl)n1 ZINC001142408789 1125430432 /nfs/dbraw/zinc/43/04/32/1125430432.db2.gz YNYIBAGRDQPIRM-UHFFFAOYSA-N 0 1 285.844 3.616 20 0 CHADMN CCCn1cc(C[N@H+]2CCC[C@H]2c2ccccc2)cn1 ZINC000123656731 1125432070 /nfs/dbraw/zinc/43/20/70/1125432070.db2.gz XAHKCGGLGOQLNW-KRWDZBQOSA-N 0 1 269.392 3.630 20 0 CHADMN Cc1ccc(F)c(CNc2ccc3c[nH]nc3c2)c1 ZINC000235985777 1125432528 /nfs/dbraw/zinc/43/25/28/1125432528.db2.gz VRQNJTUWMWOWKN-UHFFFAOYSA-N 0 1 255.296 3.623 20 0 CHADMN C[C@H]1CCCCN1Cc1nc2cc(Cl)ccc2n1C ZINC000043272797 1125446260 /nfs/dbraw/zinc/44/62/60/1125446260.db2.gz VGBCUZQRUIIBKA-NSHDSACASA-N 0 1 277.799 3.601 20 0 CHADMN c1c[nH]c([C@H]2CCCN2CCCC2CCCCC2)n1 ZINC000348256573 1125446300 /nfs/dbraw/zinc/44/63/00/1125446300.db2.gz UPHUPHDAEJVJHN-OAHLLOKOSA-N 0 1 261.413 3.907 20 0 CHADMN COc1ncc(CN[C@H](C)c2cc(C)sc2C)s1 ZINC000385919419 1129181594 /nfs/dbraw/zinc/18/15/94/1129181594.db2.gz JFPCIWCZDBTYMP-SECBINFHSA-N 0 1 282.434 3.681 20 0 CHADMN COc1ccccc1[C@H]1CCCCN1Cc1nccnc1C ZINC000621715576 1129184696 /nfs/dbraw/zinc/18/46/96/1129184696.db2.gz YMNTZIHBFAMPRN-QGZVFWFLSA-N 0 1 297.402 3.521 20 0 CHADMN Cc1nccnc1CN1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000621718725 1129185454 /nfs/dbraw/zinc/18/54/54/1129185454.db2.gz RHZDRWKTPIULDP-SJCJKPOMSA-N 0 1 285.366 3.507 20 0 CHADMN CCCc1ccc(CN(C)Cc2cccnc2)s1 ZINC000621721663 1129185476 /nfs/dbraw/zinc/18/54/76/1129185476.db2.gz XAQAHYNIBODHDZ-UHFFFAOYSA-N 0 1 260.406 3.728 20 0 CHADMN FC(F)[C@@H](CCc1ccccc1)NCC[C@@H]1CC1(F)F ZINC000621734424 1129188675 /nfs/dbraw/zinc/18/86/75/1129188675.db2.gz MQNZNCOVJYIKTH-CHWSQXEVSA-N 0 1 289.316 3.888 20 0 CHADMN COc1ccc(CN2C3CCCC2CCC3)c(Cl)n1 ZINC001237799584 1129190220 /nfs/dbraw/zinc/19/02/20/1129190220.db2.gz SBRGXGMMIYJGKG-UHFFFAOYSA-N 0 1 280.799 3.651 20 0 CHADMN CCC[C@@H](NCc1cc(OC)ccc1F)c1cccnc1 ZINC000621766532 1129191142 /nfs/dbraw/zinc/19/11/42/1129191142.db2.gz VUEUUNVIOBYXLW-QGZVFWFLSA-N 0 1 288.366 3.860 20 0 CHADMN C[N@@H+](CC(=O)Nc1ccccc1C(F)F)CC(C)(C)C ZINC000636065995 1129197031 /nfs/dbraw/zinc/19/70/31/1129197031.db2.gz QPDIZWKGVNSYNE-UHFFFAOYSA-N 0 1 284.350 3.541 20 0 CHADMN CN(CC(=O)Nc1ccccc1C(F)F)CC(C)(C)C ZINC000636065995 1129197032 /nfs/dbraw/zinc/19/70/32/1129197032.db2.gz QPDIZWKGVNSYNE-UHFFFAOYSA-N 0 1 284.350 3.541 20 0 CHADMN CCCn1ccc2ccc(NC(=O)c3[nH]c(C)nc3C)cc21 ZINC000621881640 1129202420 /nfs/dbraw/zinc/20/24/20/1129202420.db2.gz SHJGLSMKXXYSDW-UHFFFAOYSA-N 0 1 296.374 3.644 20 0 CHADMN COc1cc2c(cc1F)nccc2N1CCC(F)(F)CC1 ZINC000795272961 1129207830 /nfs/dbraw/zinc/20/78/30/1129207830.db2.gz UGRBFPHVWJSXOQ-UHFFFAOYSA-N 0 1 296.292 3.618 20 0 CHADMN Cc1noc(C)c1CC[N@H+](C)Cc1ccccc1Cl ZINC000164605907 1129208660 /nfs/dbraw/zinc/20/86/60/1129208660.db2.gz AMDRECDLXPVUOU-UHFFFAOYSA-N 0 1 278.783 3.619 20 0 CHADMN Cc1noc(C)c1CCN(C)Cc1ccccc1Cl ZINC000164605907 1129208662 /nfs/dbraw/zinc/20/86/62/1129208662.db2.gz AMDRECDLXPVUOU-UHFFFAOYSA-N 0 1 278.783 3.619 20 0 CHADMN CC(C)Oc1ccccc1CNCC#Cc1ccccc1 ZINC000076330776 1129209751 /nfs/dbraw/zinc/20/97/51/1129209751.db2.gz WJJSQQSJQBJIRA-UHFFFAOYSA-N 0 1 279.383 3.615 20 0 CHADMN N#CC(C(=O)C=C1CCC1)c1nc2cc(F)ccc2s1 ZINC000088810354 1129210810 /nfs/dbraw/zinc/21/08/10/1129210810.db2.gz HSCLCKSSHLUCFL-NSHDSACASA-N 0 1 286.331 3.722 20 0 CHADMN Cc1nnsc1CN[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000293752798 1129212566 /nfs/dbraw/zinc/21/25/66/1129212566.db2.gz RMAFKTSMSCQHBN-LLVKDONJSA-N 0 1 289.448 3.995 20 0 CHADMN CSC(C)(C)C[C@@H](C)N1CCC(F)(F)[C@@H](F)C1 ZINC001258335778 1129212717 /nfs/dbraw/zinc/21/27/17/1129212717.db2.gz PFVYBCAKQZWMLZ-ZJUUUORDSA-N 0 1 269.376 3.586 20 0 CHADMN Cc1ccc([C@@H](NCc2ncc(Cl)n2C)C2CC2)cc1 ZINC000298108742 1129227026 /nfs/dbraw/zinc/22/70/26/1129227026.db2.gz SOPUNJDLQUENDX-MRXNPFEDSA-N 0 1 289.810 3.623 20 0 CHADMN Cn1ccnc1[C@@H](C1CC1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000637865735 1129231863 /nfs/dbraw/zinc/23/18/63/1129231863.db2.gz DSEUCGQDKWNOAH-UKRRQHHQSA-N 0 1 287.432 3.770 20 0 CHADMN Cn1ccnc1[C@@H](C1CC1)N1CCC[C@@H]1c1cccs1 ZINC000637865735 1129231865 /nfs/dbraw/zinc/23/18/65/1129231865.db2.gz DSEUCGQDKWNOAH-UKRRQHHQSA-N 0 1 287.432 3.770 20 0 CHADMN CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(=O)[nH]c1 ZINC000637867364 1129232375 /nfs/dbraw/zinc/23/23/75/1129232375.db2.gz STDYEKHQXQZFMV-UHFFFAOYSA-N 0 1 282.796 3.524 20 0 CHADMN CCN(Cc1ccc(Cl)s1)Cc1ccc(=O)[nH]c1 ZINC000637867364 1129232376 /nfs/dbraw/zinc/23/23/76/1129232376.db2.gz STDYEKHQXQZFMV-UHFFFAOYSA-N 0 1 282.796 3.524 20 0 CHADMN CCC[N@@H+](Cc1ccccc1)[C@H](c1nccn1C)C1CC1 ZINC000637849207 1129232405 /nfs/dbraw/zinc/23/24/05/1129232405.db2.gz PWCUWKQLJBEQMG-KRWDZBQOSA-N 0 1 283.419 3.783 20 0 CHADMN CCCN(Cc1ccccc1)[C@H](c1nccn1C)C1CC1 ZINC000637849207 1129232408 /nfs/dbraw/zinc/23/24/08/1129232408.db2.gz PWCUWKQLJBEQMG-KRWDZBQOSA-N 0 1 283.419 3.783 20 0 CHADMN C[C@H]1c2cccn2CCN1Cc1cccc2ncccc12 ZINC000637839769 1129232475 /nfs/dbraw/zinc/23/24/75/1129232475.db2.gz BHOPVJUYGWSFNG-AWEZNQCLSA-N 0 1 277.371 3.613 20 0 CHADMN c1coc(C[N@H+](CCC[C@@H]2CCO2)Cc2cccs2)c1 ZINC000637852149 1129232484 /nfs/dbraw/zinc/23/24/84/1129232484.db2.gz TUXSUXMZZCSKGC-CQSZACIVSA-N 0 1 291.416 3.912 20 0 CHADMN Cn1cccc1[C@@H]1CCCN1Cc1ccc(C(F)F)nc1 ZINC000637871017 1129233239 /nfs/dbraw/zinc/23/32/39/1129233239.db2.gz YSTKHQNPKGBBOM-HNNXBMFYSA-N 0 1 291.345 3.695 20 0 CHADMN COc1ccc([C@@H](C)N(C)[C@H](C)c2cnc(C)nc2C)cc1 ZINC000637888579 1129234734 /nfs/dbraw/zinc/23/47/34/1129234734.db2.gz IDQBWYVAQLSKLQ-ZIAGYGMSSA-N 0 1 299.418 3.856 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccsc2)sn1 ZINC000637910385 1129235710 /nfs/dbraw/zinc/23/57/10/1129235710.db2.gz QRCZZJNPHYKIRS-CYBMUJFWSA-N 0 1 264.419 3.850 20 0 CHADMN Cc1ncc([C@@H](C)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c(C)n1 ZINC000637971064 1129239654 /nfs/dbraw/zinc/23/96/54/1129239654.db2.gz UMSDEPLUGLUGPB-QZFZYLJTSA-N 0 1 285.435 3.665 20 0 CHADMN Cc1c(Cl)cccc1NC(=O)c1cn[nH]c1C(C)C ZINC000622274039 1129243609 /nfs/dbraw/zinc/24/36/09/1129243609.db2.gz QQKZVSSNXCQUOM-UHFFFAOYSA-N 0 1 277.755 3.747 20 0 CHADMN Cc1scc(CN(C)Cc2cccc(C)n2)c1C ZINC000638111607 1129243656 /nfs/dbraw/zinc/24/36/56/1129243656.db2.gz NVHKMQGIPVFODI-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN Cc1cc(CN2CCC[C@@H](Nc3ccccc3)C2)sn1 ZINC000638121605 1129245026 /nfs/dbraw/zinc/24/50/26/1129245026.db2.gz HHIWQQILCRGIDJ-OAHLLOKOSA-N 0 1 287.432 3.528 20 0 CHADMN Cn1ccnc1[C@H](C1CC1)N1CC=C(C(C)(C)C)CC1 ZINC000638181625 1129246919 /nfs/dbraw/zinc/24/69/19/1129246919.db2.gz KXDICXZONGWNAZ-HNNXBMFYSA-N 0 1 273.424 3.549 20 0 CHADMN CC(C)(C)CCN1CCN(C(=O)C2(C)CCCCC2)CC1 ZINC000622322832 1129248293 /nfs/dbraw/zinc/24/82/93/1129248293.db2.gz HDDMEXXQDGOERX-UHFFFAOYSA-N 0 1 294.483 3.537 20 0 CHADMN COc1c(Cl)cccc1CN[C@@H](C)c1cccnc1 ZINC000901655639 1129250055 /nfs/dbraw/zinc/25/00/55/1129250055.db2.gz UPBWJEDVZQZCBI-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN Cc1cc(CN[C@@H]2CCc3c2cccc3Cl)sn1 ZINC000638426495 1129258579 /nfs/dbraw/zinc/25/85/79/1129258579.db2.gz RPTXVLLMQVOOEJ-CQSZACIVSA-N 0 1 278.808 3.882 20 0 CHADMN Cc1cc(CNCc2cnc(Cl)s2)c(C)s1 ZINC000718213222 1129259369 /nfs/dbraw/zinc/25/93/69/1129259369.db2.gz XVJYLMCHPKGIKB-UHFFFAOYSA-N 0 1 272.826 3.765 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2NCc1cc(C2CC2)no1 ZINC000638449722 1129259561 /nfs/dbraw/zinc/25/95/61/1129259561.db2.gz VTHMNNOGHZPDHH-KRWDZBQOSA-N 0 1 298.386 3.728 20 0 CHADMN CCc1cccc2c1OCC[C@H]2NCc1cc(C)ns1 ZINC000638575547 1129262477 /nfs/dbraw/zinc/26/24/77/1129262477.db2.gz JDONAHJNZCIMFW-OAHLLOKOSA-N 0 1 288.416 3.627 20 0 CHADMN Cc1[nH]c2c(cc(C)cc2CNCc2ccns2)c1C ZINC000638566573 1129262689 /nfs/dbraw/zinc/26/26/89/1129262689.db2.gz MGFSPXLGYVTLMJ-UHFFFAOYSA-N 0 1 285.416 3.839 20 0 CHADMN Cc1cc(CNC(C)(C)c2cccc(C)c2)sn1 ZINC000638668345 1129265418 /nfs/dbraw/zinc/26/54/18/1129265418.db2.gz UIEUQLJFTVZCSN-UHFFFAOYSA-N 0 1 260.406 3.785 20 0 CHADMN CCC1CCN(Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000622586240 1129266905 /nfs/dbraw/zinc/26/69/05/1129266905.db2.gz MXEBJPGKBWAXSD-UHFFFAOYSA-N 0 1 287.382 3.633 20 0 CHADMN Cc1ccsc1[C@@H](C)NCc1cc(C#N)ccc1F ZINC000090117817 1129269054 /nfs/dbraw/zinc/26/90/54/1129269054.db2.gz PQSNWWCRMBUOIL-LLVKDONJSA-N 0 1 274.364 3.918 20 0 CHADMN Cc1cnc(CNCC(C)(C)C2CCCCC2)o1 ZINC000638805955 1129271060 /nfs/dbraw/zinc/27/10/60/1129271060.db2.gz WMNPUCIJARIKEH-UHFFFAOYSA-N 0 1 250.386 3.679 20 0 CHADMN c1cc(CNCc2ccc(OC3CCCC3)cc2)sn1 ZINC000638867123 1129272501 /nfs/dbraw/zinc/27/25/01/1129272501.db2.gz XOWNSIFTGBIUQL-UHFFFAOYSA-N 0 1 288.416 3.754 20 0 CHADMN CCc1nnc([C@H](C)N2CCC3(CCCCC3)CC2)o1 ZINC000348046919 1129276646 /nfs/dbraw/zinc/27/66/46/1129276646.db2.gz QCEZWXKYIIBNJP-ZDUSSCGKSA-N 0 1 277.412 3.739 20 0 CHADMN CCC1(C)CCN([C@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000348076605 1129278018 /nfs/dbraw/zinc/27/80/18/1129278018.db2.gz OHCCTMBLAKNMDI-CYBMUJFWSA-N 0 1 299.418 3.646 20 0 CHADMN C[C@@H](c1ccncc1)N(C)[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000639041057 1129278137 /nfs/dbraw/zinc/27/81/37/1129278137.db2.gz QLOULHATQFEMAG-BBRMVZONSA-N 0 1 299.422 3.514 20 0 CHADMN C[C@]12CCCC[C@H]1CN2Cc1nnc(-c2ccccc2)o1 ZINC000626105475 1129281264 /nfs/dbraw/zinc/28/12/64/1129281264.db2.gz HCVCBQSCHMUNCK-YOEHRIQHSA-N 0 1 283.375 3.501 20 0 CHADMN Cn1ccnc1[C@@H](C1CC1)N1CCC=C(c2ccccc2)C1 ZINC000639149685 1129287626 /nfs/dbraw/zinc/28/76/26/1129287626.db2.gz STNHHCXBVWVEPN-GOSISDBHSA-N 0 1 293.414 3.661 20 0 CHADMN CCN([C@H](C)c1cccnc1)[C@H](C)c1cnc(C)nc1C ZINC000639177480 1129289016 /nfs/dbraw/zinc/28/90/16/1129289016.db2.gz DQILSCCYPVSOHM-ZIAGYGMSSA-N 0 1 284.407 3.633 20 0 CHADMN FC1(F)CCCC[C@@H]1CNCc1nc2ccccc2o1 ZINC000639217933 1129294395 /nfs/dbraw/zinc/29/43/95/1129294395.db2.gz WTUFORMWJJOIIC-LLVKDONJSA-N 0 1 280.318 3.743 20 0 CHADMN CC(C)(NCc1cccc(F)c1N)c1ccccc1F ZINC000639218198 1129294502 /nfs/dbraw/zinc/29/45/02/1129294502.db2.gz CPWHVWRHFWCXIB-UHFFFAOYSA-N 0 1 276.330 3.572 20 0 CHADMN CCc1ncc(CN[C@H](CC)c2ccccc2OC)s1 ZINC000037924271 1129296029 /nfs/dbraw/zinc/29/60/29/1129296029.db2.gz PQYYCCYQWQRTST-CQSZACIVSA-N 0 1 290.432 3.955 20 0 CHADMN Cc1ccccc1CC1CN([C@H](C)c2cnc(C)nc2C)C1 ZINC000639249357 1129296842 /nfs/dbraw/zinc/29/68/42/1129296842.db2.gz HLANOFYQUKVEMB-OAHLLOKOSA-N 0 1 295.430 3.637 20 0 CHADMN Cc1ccccc1CC1CN([C@@H](C)c2cnc(C)nc2C)C1 ZINC000639249355 1129297088 /nfs/dbraw/zinc/29/70/88/1129297088.db2.gz HLANOFYQUKVEMB-HNNXBMFYSA-N 0 1 295.430 3.637 20 0 CHADMN Cc1ccc2c(c1)CN([C@@H](C)c1cnc(C)nc1C)CC2 ZINC000639307442 1129301789 /nfs/dbraw/zinc/30/17/89/1129301789.db2.gz YGEZTLUBDBOASR-AWEZNQCLSA-N 0 1 281.403 3.521 20 0 CHADMN CC1(C)C[C@]1(NCc1cccc(F)c1N)c1ccccc1 ZINC000639336555 1129303632 /nfs/dbraw/zinc/30/36/32/1129303632.db2.gz CWWULOIYAZUPOK-SFHVURJKSA-N 0 1 284.378 3.823 20 0 CHADMN FC(F)(F)c1cccc2c1CCN(CCC[C@H]1CCO1)C2 ZINC000639350705 1129305019 /nfs/dbraw/zinc/30/50/19/1129305019.db2.gz MXZDDLWGMXPXAC-ZDUSSCGKSA-N 0 1 299.336 3.633 20 0 CHADMN CC[C@@](C)(NCc1cnc(C)o1)c1ccc(F)cc1 ZINC000639358993 1129305954 /nfs/dbraw/zinc/30/59/54/1129305954.db2.gz HNXPBBXFJMSZBO-OAHLLOKOSA-N 0 1 262.328 3.537 20 0 CHADMN Cc1ccc(CN2CC[C@H](O)C[C@@H]2c2ccccc2)cc1F ZINC000639366979 1129308279 /nfs/dbraw/zinc/30/82/79/1129308279.db2.gz OISSTIQSOHXOKY-PKOBYXMFSA-N 0 1 299.389 3.832 20 0 CHADMN Cc1cc(C)c(CN(C)Cc2cccs2)c(C)n1 ZINC000639443438 1129315463 /nfs/dbraw/zinc/31/54/63/1129315463.db2.gz ITQSGFPZLWBYDC-UHFFFAOYSA-N 0 1 260.406 3.700 20 0 CHADMN CCCCC(CCCC)n1nc(COC)c2c1CNC2 ZINC001258386367 1129318095 /nfs/dbraw/zinc/31/80/95/1129318095.db2.gz YMLAJHLMTCRZBV-UHFFFAOYSA-N 0 1 279.428 3.554 20 0 CHADMN CO[C@H]1CC=C(Nc2c(F)cc(F)cc2F)CC1 ZINC001212880297 1129319968 /nfs/dbraw/zinc/31/99/68/1129319968.db2.gz XCIBOQDSVXBEAH-JTQLQIEISA-N 0 1 257.255 3.599 20 0 CHADMN Cc1cc(C)c(C[N@@H+]2CCC[C@H]2c2cccn2C)c(C)n1 ZINC000639519272 1129321147 /nfs/dbraw/zinc/32/11/47/1129321147.db2.gz HYASMCVVUDTHGL-SFHVURJKSA-N 0 1 283.419 3.682 20 0 CHADMN C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000639510670 1129321259 /nfs/dbraw/zinc/32/12/59/1129321259.db2.gz HGSDJKKEWNMRMR-WHOFXGATSA-N 0 1 265.784 3.512 20 0 CHADMN Cc1ncc2c(n1)CCC[C@@H]2N[C@H](C)c1ccccc1F ZINC000734849550 1129324530 /nfs/dbraw/zinc/32/45/30/1129324530.db2.gz AYSDBEIQZLTWRW-BZNIZROVSA-N 0 1 285.366 3.652 20 0 CHADMN Cc1ncc2c(n1)CCC[C@H]2N[C@H](C)c1ccccc1F ZINC000734849549 1129324593 /nfs/dbraw/zinc/32/45/93/1129324593.db2.gz AYSDBEIQZLTWRW-BDJLRTHQSA-N 0 1 285.366 3.652 20 0 CHADMN Cc1ccc2nc([C@@H]3CCCN3Cc3ccns3)[nH]c2c1 ZINC000639647515 1129328089 /nfs/dbraw/zinc/32/80/89/1129328089.db2.gz OVWWTBVEAWJRCT-HNNXBMFYSA-N 0 1 298.415 3.665 20 0 CHADMN Cc1nc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)sc1C ZINC000639689480 1129330460 /nfs/dbraw/zinc/33/04/60/1129330460.db2.gz BDYSAJCNRAIKMB-OAHLLOKOSA-N 0 1 287.432 3.535 20 0 CHADMN Cc1nc(CN2CCC[C@@H](c3cccnc3)C2)sc1C ZINC000639689480 1129330464 /nfs/dbraw/zinc/33/04/64/1129330464.db2.gz BDYSAJCNRAIKMB-OAHLLOKOSA-N 0 1 287.432 3.535 20 0 CHADMN COc1ccccc1[C@H](N[C@@H]1CC[C@H](C)C1)c1ccccn1 ZINC000090913341 1129335186 /nfs/dbraw/zinc/33/51/86/1129335186.db2.gz HTBWJJGFQMDFIZ-KHYOSLBOSA-N 0 1 296.414 3.958 20 0 CHADMN COc1ccccc1[C@H](NC1CCCC1)c1ccccn1 ZINC000090913580 1129336086 /nfs/dbraw/zinc/33/60/86/1129336086.db2.gz KXPJFAHOTPJZMV-SFHVURJKSA-N 0 1 282.387 3.712 20 0 CHADMN CCC[C@@H](C)CCCN1CCC[C@@H]1c1ncccn1 ZINC000639843248 1129336497 /nfs/dbraw/zinc/33/64/97/1129336497.db2.gz CELBDHIVYKOKSG-HUUCEWRRSA-N 0 1 261.413 3.830 20 0 CHADMN CC[C@](C)(NCc1ccc(OC)cn1)c1ccc(F)cc1 ZINC000639926821 1129339665 /nfs/dbraw/zinc/33/96/65/1129339665.db2.gz CHRPBWTYTKDFES-KRWDZBQOSA-N 0 1 288.366 3.644 20 0 CHADMN OC[C@H](NCc1ccccc1)c1ccccc1C(F)(F)F ZINC000038111004 1129340591 /nfs/dbraw/zinc/34/05/91/1129340591.db2.gz CSSGBKIQFZMNTC-HNNXBMFYSA-N 0 1 295.304 3.529 20 0 CHADMN O=C(/C=C/C1CCCCC1)Nc1nc2ccccc2[nH]1 ZINC000735423076 1129343190 /nfs/dbraw/zinc/34/31/90/1129343190.db2.gz IWTUEJYRRDNLAO-ZHACJKMWSA-N 0 1 269.348 3.638 20 0 CHADMN Cc1cccc(C)c1CNCc1nc2c(s1)CCC2 ZINC000719626777 1129346785 /nfs/dbraw/zinc/34/67/85/1129346785.db2.gz TWGMFADBGOLKHR-UHFFFAOYSA-N 0 1 272.417 3.538 20 0 CHADMN Cc1cccc(F)c1CN[C@H](C)c1cnn(C(C)C)c1 ZINC000766213394 1129347696 /nfs/dbraw/zinc/34/76/96/1129347696.db2.gz OXRQCYHFIIOJGK-CYBMUJFWSA-N 0 1 275.371 3.762 20 0 CHADMN C[C@H](NCc1nc2c(s1)CCCC2)c1cccs1 ZINC000719637401 1129347803 /nfs/dbraw/zinc/34/78/03/1129347803.db2.gz FXIACBUFTTVXML-JTQLQIEISA-N 0 1 278.446 3.934 20 0 CHADMN Cc1nnc(CN[C@H]2CCC(C)(C)C[C@H]2c2ccccc2)o1 ZINC000640106143 1129348387 /nfs/dbraw/zinc/34/83/87/1129348387.db2.gz FJFIDZSZCWUSMI-HOTGVXAUSA-N 0 1 299.418 3.830 20 0 CHADMN Cc1nnc([C@@H](C)N(C)C[C@@H](C)C(C)(C)C)s1 ZINC000640350875 1129355439 /nfs/dbraw/zinc/35/54/39/1129355439.db2.gz UUKUHIVSJUJDJI-NXEZZACHSA-N 0 1 255.431 3.522 20 0 CHADMN C[C@@H]1SCCN(C/C=C/Cl)[C@H]1c1ccccc1 ZINC000735744634 1129356881 /nfs/dbraw/zinc/35/68/81/1129356881.db2.gz UZUZIGKUPRHLGC-BZDIYLISSA-N 0 1 267.825 3.918 20 0 CHADMN Cc1cc(F)ccc1C(=O)Nc1cccc(Cl)c1O ZINC000178464225 1129357664 /nfs/dbraw/zinc/35/76/64/1129357664.db2.gz RKPQXDAWIHEUGT-UHFFFAOYSA-N 0 1 279.698 3.745 20 0 CHADMN CC[C@H](C(=O)OCc1cc2ccccc2o1)N(CC)CC ZINC000735994694 1129362618 /nfs/dbraw/zinc/36/26/18/1129362618.db2.gz FCQHWSPJRLJWIB-OAHLLOKOSA-N 0 1 289.375 3.596 20 0 CHADMN CCC/C(C)=C\C(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000736074083 1129369344 /nfs/dbraw/zinc/36/93/44/1129369344.db2.gz JINOQQYHHKENNK-BENRWUELSA-N 0 1 269.348 3.762 20 0 CHADMN C[C@H]1CN(Cn2cc[nH]c2=S)CC[C@H]1c1ccccc1 ZINC000247421469 1129369491 /nfs/dbraw/zinc/36/94/91/1129369491.db2.gz KPFRFBYPRRRZLO-DZGCQCFKSA-N 0 1 287.432 3.629 20 0 CHADMN Cc1cccc(F)c1CN[C@H](C)c1ccc2c(c1)CCO2 ZINC000766217317 1129371858 /nfs/dbraw/zinc/37/18/58/1129371858.db2.gz YBGAYJHNHBNVIB-CYBMUJFWSA-N 0 1 285.362 3.920 20 0 CHADMN CCc1ccc(CNCc2nc3cc(F)ccc3n2C)cc1 ZINC000736358365 1129373100 /nfs/dbraw/zinc/37/31/00/1129373100.db2.gz VPCISCUJGMFVTM-UHFFFAOYSA-N 0 1 297.377 3.565 20 0 CHADMN CN[C@H](C)c1cn(CC2CCC(c3ccccc3)CC2)nn1 ZINC000641148092 1129375083 /nfs/dbraw/zinc/37/50/83/1129375083.db2.gz YPOLENGIXFLVFV-HPUBIQBYSA-N 0 1 298.434 3.533 20 0 CHADMN Fc1ccccc1C1CCN(C/C=C\Cl)CC1 ZINC000736946477 1129381458 /nfs/dbraw/zinc/38/14/58/1129381458.db2.gz ORFSBUCTNVCLCT-BAQGIRSFSA-N 0 1 253.748 3.758 20 0 CHADMN CSc1ccc(CN[C@@H]2CCc3c2cccc3F)o1 ZINC000641715088 1129388714 /nfs/dbraw/zinc/38/87/14/1129388714.db2.gz SZHNDKZLZIUCJI-CQSZACIVSA-N 0 1 277.364 3.918 20 0 CHADMN Cc1ccccc1[C@H]1C[C@@H](C)N(Cn2cc(Cl)cn2)C1 ZINC000738054969 1129390178 /nfs/dbraw/zinc/39/01/78/1129390178.db2.gz ROYYTVDVZNAOMH-KGLIPLIRSA-N 0 1 289.810 3.680 20 0 CHADMN c1nc(C2CCCC2)sc1CNc1cccc2[nH]nnc21 ZINC000641757667 1129391013 /nfs/dbraw/zinc/39/10/13/1129391013.db2.gz AIQXZNQCZSNYEB-UHFFFAOYSA-N 0 1 299.403 3.684 20 0 CHADMN CCc1cc(CN[C@@H](c2ccccc2)C2CCC2)on1 ZINC000641773952 1129391618 /nfs/dbraw/zinc/39/16/18/1129391618.db2.gz MULROHBACRTKFG-KRWDZBQOSA-N 0 1 270.376 3.868 20 0 CHADMN c1nc(C2CC2)oc1CNC12CC(c3ccccc3)(C1)C2 ZINC000641790051 1129392508 /nfs/dbraw/zinc/39/25/08/1129392508.db2.gz FCEFEGJZIMBKDL-UHFFFAOYSA-N 0 1 280.371 3.516 20 0 CHADMN OCC[C@@H](N[C@@H](c1ccccc1)C1CCC1)c1ccco1 ZINC000641781556 1129392869 /nfs/dbraw/zinc/39/28/69/1129392869.db2.gz VINQVXCFTUVIGA-AEFFLSMTSA-N 0 1 285.387 3.834 20 0 CHADMN CC[C@H](C)[C@H]1CCCCN1Cc1nnc(C(C)(C)C)o1 ZINC000738314744 1129393478 /nfs/dbraw/zinc/39/34/78/1129393478.db2.gz RHZKHLICCZFSOF-QWHCGFSZSA-N 0 1 279.428 3.768 20 0 CHADMN C[C@H](CC1CC1)N1CCc2c3ccccc3oc2C1 ZINC001258472099 1129404909 /nfs/dbraw/zinc/40/49/09/1129404909.db2.gz IXSYOKBLNLWKRT-GFCCVEGCSA-N 0 1 255.361 3.980 20 0 CHADMN COc1c(C)cc(-c2ccc3cncn3c2)cc1C ZINC001241016220 1129405972 /nfs/dbraw/zinc/40/59/72/1129405972.db2.gz FIFIJIHQEONUEQ-UHFFFAOYSA-N 0 1 252.317 3.627 20 0 CHADMN Cc1ccc(-c2noc(CN(C)[C@@H](C)C(C)(C)C)n2)cc1 ZINC000642095220 1129406394 /nfs/dbraw/zinc/40/63/94/1129406394.db2.gz FEUCIVWYXJTZNJ-ZDUSSCGKSA-N 0 1 287.407 3.911 20 0 CHADMN CCCCN(CC(=O)Nc1ccccc1Cl)C1CC1 ZINC000642189449 1129409774 /nfs/dbraw/zinc/40/97/74/1129409774.db2.gz SIHCZNKEDUPLEI-UHFFFAOYSA-N 0 1 280.799 3.543 20 0 CHADMN CCOC(=O)c1nc2ccc(-c3cccc(F)c3)cc2[nH]1 ZINC001239537096 1131372472 /nfs/dbraw/zinc/37/24/72/1131372472.db2.gz LKJFMGUFZUQYMR-UHFFFAOYSA-N 0 1 284.290 3.546 20 0 CHADMN COC(=O)c1cc(C)cc(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213076627 1129415241 /nfs/dbraw/zinc/41/52/41/1129415241.db2.gz VVFDSGLEQCEIBU-UHFFFAOYSA-N 0 1 295.342 3.710 20 0 CHADMN Cc1nc2ccc(NCCC3=CCCCC3)nc2[nH]1 ZINC001168772077 1129420795 /nfs/dbraw/zinc/42/07/95/1129420795.db2.gz NCHFBKCDSUIHBY-UHFFFAOYSA-N 0 1 256.353 3.569 20 0 CHADMN CCN(Cc1cc2cccc(OC)c2o1)Cc1ccccn1 ZINC000093338726 1129420888 /nfs/dbraw/zinc/42/08/88/1129420888.db2.gz HTAZMNPLBGENNI-UHFFFAOYSA-N 0 1 296.370 3.859 20 0 CHADMN CCCCN(CCCC)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000642669112 1129424040 /nfs/dbraw/zinc/42/40/40/1129424040.db2.gz ZHJAZYIDUHEEIR-UHFFFAOYSA-N 0 1 289.379 3.712 20 0 CHADMN CCOC(C[N@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1)OCC ZINC000248604957 1129424110 /nfs/dbraw/zinc/42/41/10/1129424110.db2.gz FMJGKHGUVBCGDO-HIFRSBDPSA-N 0 1 295.423 3.760 20 0 CHADMN Cc1ccc(C)c(COC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)c1 ZINC000741023426 1129426708 /nfs/dbraw/zinc/42/67/08/1129426708.db2.gz MOBNDCVTNPKKGL-OWCLPIDISA-N 0 1 289.419 3.608 20 0 CHADMN Cc1cc(COC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)c(C)s1 ZINC000741021436 1129426840 /nfs/dbraw/zinc/42/68/40/1129426840.db2.gz DZTHCTOCVMSONO-LOWVWBTDSA-N 0 1 295.448 3.669 20 0 CHADMN CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179827313 1129434030 /nfs/dbraw/zinc/43/40/30/1129434030.db2.gz XBHRVLUXNRMOOV-PSLIRLAXSA-N 0 1 293.317 3.875 20 0 CHADMN CN(c1ccccc1)c1ccc(CN2CC(C3CC3)C2)cn1 ZINC000643345359 1129439081 /nfs/dbraw/zinc/43/90/81/1129439081.db2.gz SFKOOWOZETZSTK-UHFFFAOYSA-N 0 1 293.414 3.691 20 0 CHADMN COc1ccc([C@H](NCc2ccoc2C)C2CC2)c(F)c1 ZINC000643345068 1129439245 /nfs/dbraw/zinc/43/92/45/1129439245.db2.gz RGGMOJQAVSMVBM-QGZVFWFLSA-N 0 1 289.350 3.977 20 0 CHADMN CC(C)(C)C(=N)Nc1cc2nc(Cl)cnc2cc1F ZINC001155181931 1129446039 /nfs/dbraw/zinc/44/60/39/1129446039.db2.gz YBSXPTZVYNSSNE-UHFFFAOYSA-N 0 1 280.734 3.858 20 0 CHADMN Cc1cc(CNc2nccn2CC(C)C)cc(Cl)n1 ZINC000795805648 1129449757 /nfs/dbraw/zinc/44/97/57/1129449757.db2.gz KULMSHYGYOFBDA-UHFFFAOYSA-N 0 1 278.787 3.508 20 0 CHADMN CN(CC[C@@H](O)c1ccccc1)Cc1ccc(F)cc1F ZINC000795862063 1129451788 /nfs/dbraw/zinc/45/17/88/1129451788.db2.gz RUEMGRSZZKZLCH-QGZVFWFLSA-N 0 1 291.341 3.520 20 0 CHADMN CCCCOc1cccc(CN[C@H](C)c2c[nH]nc2C)c1 ZINC000180145525 1129453980 /nfs/dbraw/zinc/45/39/80/1129453980.db2.gz LTJAGTPDDYUDHW-CYBMUJFWSA-N 0 1 287.407 3.748 20 0 CHADMN CCCOC(=O)[C@H](C)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000741798062 1129454073 /nfs/dbraw/zinc/45/40/73/1129454073.db2.gz ZQNTYXSNOCAODK-OWCLPIDISA-N 0 1 289.419 3.515 20 0 CHADMN Cc1n[nH]cc1[C@@H](C)NCc1ccccc1OCC(C)C ZINC000180191004 1129457935 /nfs/dbraw/zinc/45/79/35/1129457935.db2.gz ZLIHCTSVPBDRHV-CYBMUJFWSA-N 0 1 287.407 3.604 20 0 CHADMN Cc1cc(F)cc(N[C@@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000644542333 1129469667 /nfs/dbraw/zinc/46/96/67/1129469667.db2.gz IGHKHTZLPKVGSC-OAHLLOKOSA-N 0 1 288.370 3.986 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1c(F)cc(F)cc1F ZINC001241171687 1129470245 /nfs/dbraw/zinc/47/02/45/1129470245.db2.gz DROCHCOAXKIRLI-UHFFFAOYSA-N 0 1 278.233 3.656 20 0 CHADMN Cc1cc(CN[C@H](c2cccnc2)C2CCCCC2)ncn1 ZINC000644668129 1129473549 /nfs/dbraw/zinc/47/35/49/1129473549.db2.gz BNKAUFFUDFECOT-SFHVURJKSA-N 0 1 296.418 3.591 20 0 CHADMN COc1ccc(-c2ccccc2)cc1CN[C@@H](C)CF ZINC000644891928 1129479531 /nfs/dbraw/zinc/47/95/31/1129479531.db2.gz FIAQNTLKTJNTNV-ZDUSSCGKSA-N 0 1 273.351 3.810 20 0 CHADMN CC(C)[NH+](CCCNCc1cccc([O-])c1Cl)C(C)C ZINC000645160505 1129489436 /nfs/dbraw/zinc/48/94/36/1129489436.db2.gz SQOYBKPXQJQMCN-UHFFFAOYSA-N 0 1 298.858 3.644 20 0 CHADMN [O-]c1cccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1Cl ZINC000645203607 1129491619 /nfs/dbraw/zinc/49/16/19/1129491619.db2.gz HLPPWQCXKODEOD-GJZGRUSLSA-N 0 1 287.790 3.939 20 0 CHADMN CCCCCC[C@@](C)(CC)C(=O)N[C@@H]1CCCN(C)C1 ZINC000742641062 1129492452 /nfs/dbraw/zinc/49/24/52/1129492452.db2.gz ZICBXPPIKDOVGF-NVXWUHKLSA-N 0 1 282.472 3.584 20 0 CHADMN C/C(=C\C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1)C(C)(C)C ZINC000742664145 1129493243 /nfs/dbraw/zinc/49/32/43/1129493243.db2.gz PNBSDLYGDSDIJT-ZRDIBKRKSA-N 0 1 298.390 3.711 20 0 CHADMN CCCCCC[C@@](C)(CC)C(=O)NCc1cc(C)[nH]n1 ZINC000742676908 1129494039 /nfs/dbraw/zinc/49/40/39/1129494039.db2.gz XBZAKCOQPLRJBO-MRXNPFEDSA-N 0 1 279.428 3.721 20 0 CHADMN O=C(CCN(Cc1ccccc1Cl)CC1CC1)C1CC1 ZINC000796262413 1129503683 /nfs/dbraw/zinc/50/36/83/1129503683.db2.gz XLUOOEDURFUTQA-UHFFFAOYSA-N 0 1 291.822 3.921 20 0 CHADMN CCN(CCc1c(F)cccc1F)CCC(F)(F)F ZINC000645789433 1129506817 /nfs/dbraw/zinc/50/68/17/1129506817.db2.gz ZSGHBHISMLKBMH-UHFFFAOYSA-N 0 1 281.268 3.782 20 0 CHADMN C[C@@H](NCC1=CCCC1)c1nc(C(F)(F)F)cs1 ZINC000645894366 1129511610 /nfs/dbraw/zinc/51/16/10/1129511610.db2.gz REBORQQJMGKVIJ-MRVPVSSYSA-N 0 1 276.327 3.923 20 0 CHADMN c1ccc2cc(CN3CCO[C@]4(CCSC4)C3)ccc2c1 ZINC000645966386 1129514139 /nfs/dbraw/zinc/51/41/39/1129514139.db2.gz LYZHXXPAMFCNRG-GOSISDBHSA-N 0 1 299.439 3.548 20 0 CHADMN CCc1ccc(CNC2(c3cccc(F)c3)CCC2)nc1 ZINC000646001778 1129516337 /nfs/dbraw/zinc/51/63/37/1129516337.db2.gz LHFSCHGXZPLYBD-UHFFFAOYSA-N 0 1 284.378 3.952 20 0 CHADMN COc1ccccc1C1(NCc2ccccc2N(C)C)CC1 ZINC000646000448 1129516527 /nfs/dbraw/zinc/51/65/27/1129516527.db2.gz JVKSRLFGLURWAA-UHFFFAOYSA-N 0 1 296.414 3.540 20 0 CHADMN C[C@]1(Cc2ccccc2F)CCCN1Cc1nccs1 ZINC000646010734 1129517368 /nfs/dbraw/zinc/51/73/68/1129517368.db2.gz HHDJMEGOTWKEQJ-MRXNPFEDSA-N 0 1 290.407 3.879 20 0 CHADMN Cc1ncc(CNC2(c3cccc(F)c3)CCC2)s1 ZINC000646002020 1129517596 /nfs/dbraw/zinc/51/75/96/1129517596.db2.gz HEFYPXMBLNJIKS-UHFFFAOYSA-N 0 1 276.380 3.760 20 0 CHADMN Cc1cncc(CN(Cc2ccc(C)nc2)CC2CC2)c1 ZINC000646020211 1129517852 /nfs/dbraw/zinc/51/78/52/1129517852.db2.gz PLCRHAIDKPDBKQ-UHFFFAOYSA-N 0 1 281.403 3.506 20 0 CHADMN CCc1nocc1CN([C@@H](C)c1ccccc1)C1CC1 ZINC000646052816 1129520056 /nfs/dbraw/zinc/52/00/56/1129520056.db2.gz RCTQPWKQCRGWJW-ZDUSSCGKSA-N 0 1 270.376 3.963 20 0 CHADMN OCC[C@H](NCc1ccc(Cl)cc1)c1ccccc1F ZINC000646067231 1129520517 /nfs/dbraw/zinc/52/05/17/1129520517.db2.gz QIAYXRODHXOAER-INIZCTEOSA-N 0 1 293.769 3.692 20 0 CHADMN CCc1ccccc1CN[C@@H](CCO)c1ccccc1F ZINC000646070044 1129520534 /nfs/dbraw/zinc/52/05/34/1129520534.db2.gz GWSYQTZUYHAVIW-SFHVURJKSA-N 0 1 287.378 3.601 20 0 CHADMN CN(CN1C(=O)C[C@@H]1c1ccc(Cl)cc1)CC(C)(C)C ZINC000743365660 1129521208 /nfs/dbraw/zinc/52/12/08/1129521208.db2.gz SXXUTYSXLVFMLG-CQSZACIVSA-N 0 1 294.826 3.549 20 0 CHADMN CCC[C@H]1CC(=O)N(CN(CCC)Cc2ccccc2)C1 ZINC000743347925 1129521627 /nfs/dbraw/zinc/52/16/27/1129521627.db2.gz URJDDOOFPAGXBA-KRWDZBQOSA-N 0 1 288.435 3.505 20 0 CHADMN c1onc(Cc2ccccc2)c1CN1[C@H]2C=CC[C@@H]1CC2 ZINC000646103710 1129523462 /nfs/dbraw/zinc/52/34/62/1129523462.db2.gz WLIMEMIYJNDJFN-DLBZAZTESA-N 0 1 280.371 3.558 20 0 CHADMN C1=CCC2(CN(Cc3ccccn3)[C@@H]2c2ccccc2)C1 ZINC000646116945 1129524252 /nfs/dbraw/zinc/52/42/52/1129524252.db2.gz KNNVYFMYGIPUPK-GOSISDBHSA-N 0 1 276.383 3.975 20 0 CHADMN Cc1cc(CNCc2ccc3occc3c2)c(C)o1 ZINC000796309734 1129528366 /nfs/dbraw/zinc/52/83/66/1129528366.db2.gz YMLSDOATXLQIJI-UHFFFAOYSA-N 0 1 255.317 3.932 20 0 CHADMN CCC[C@@]1(C)CCCN(Cc2c(C)nn(C)c2Cl)C1 ZINC000743872100 1129543306 /nfs/dbraw/zinc/54/33/06/1129543306.db2.gz HPUUESZCHGDGPP-HNNXBMFYSA-N 0 1 283.847 3.784 20 0 CHADMN CC(=CC(=O)Nc1ccc2nc[nH]c2c1)c1ccc(F)cc1 ZINC000743937901 1129544415 /nfs/dbraw/zinc/54/44/15/1129544415.db2.gz YJHKKKHAYCLFLJ-FLIBITNWSA-N 0 1 295.317 3.744 20 0 CHADMN CC(C)=C[C@@H]1[C@H](c2nc([C@@H](N)CC(C)C)no2)C1(C)C ZINC000647133230 1129551017 /nfs/dbraw/zinc/55/10/17/1129551017.db2.gz PJWXOUPZVHFLQB-FRRDWIJNSA-N 0 1 277.412 3.821 20 0 CHADMN CC[C@@H](Cc1ccccc1C)c1nc([C@@H]2CCCN2)no1 ZINC000647144397 1129551689 /nfs/dbraw/zinc/55/16/89/1129551689.db2.gz WJMFVJKFADYFIP-ZFWWWQNUSA-N 0 1 285.391 3.539 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@@H]2Cc1nc([C@H]2CCCN2)no1 ZINC000647146093 1129552018 /nfs/dbraw/zinc/55/20/18/1129552018.db2.gz MRJXUEHCERAGFD-UMVBOHGHSA-N 0 1 297.402 3.636 20 0 CHADMN Cc1ccc(CNC2(c3ccccc3F)CCC2)cn1 ZINC000647237287 1129559959 /nfs/dbraw/zinc/55/99/59/1129559959.db2.gz PDEFLRRIRNLRRT-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN Cc1cccc(C2(NCc3cnc(C4CC4)nc3)CCC2)c1 ZINC000647236913 1129560095 /nfs/dbraw/zinc/56/00/95/1129560095.db2.gz WDNABNHMPJWNKF-UHFFFAOYSA-N 0 1 293.414 3.831 20 0 CHADMN Cc1n[nH]cc1CNC1(c2cccc(Cl)c2)CCC1 ZINC000647251576 1129560414 /nfs/dbraw/zinc/56/04/14/1129560414.db2.gz COEVWFOMVDLHNA-UHFFFAOYSA-N 0 1 275.783 3.541 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCc1ccsc1 ZINC000744234256 1129562145 /nfs/dbraw/zinc/56/21/45/1129562145.db2.gz PWZFGPNYWHAQJK-UHFFFAOYSA-N 0 1 298.367 3.804 20 0 CHADMN CCOC(=O)c1cc2ncc(-c3ccccc3F)cc2[nH]1 ZINC001239555348 1131382672 /nfs/dbraw/zinc/38/26/72/1131382672.db2.gz PKIOEJZSRPQUMR-UHFFFAOYSA-N 0 1 284.290 3.546 20 0 CHADMN CC[C@@H](NC1(c2ccccc2OC)CC1)c1ccncc1 ZINC000647329864 1129568912 /nfs/dbraw/zinc/56/89/12/1129568912.db2.gz YCZXHTATSGWGOZ-MRXNPFEDSA-N 0 1 282.387 3.820 20 0 CHADMN Cc1[nH]ncc1[C@@H](C)Nc1cnn(-c2cccc(C)c2)c1C ZINC000647327645 1129569177 /nfs/dbraw/zinc/56/91/77/1129569177.db2.gz DFYRJDYNNVAIGU-GFCCVEGCSA-N 0 1 295.390 3.694 20 0 CHADMN Cc1ncc([C@@H](C)NC2(c3cccc(F)c3)CCC2)c(C)n1 ZINC000647331201 1129569944 /nfs/dbraw/zinc/56/99/44/1129569944.db2.gz WQFLBBKQQNXXMU-CYBMUJFWSA-N 0 1 299.393 3.963 20 0 CHADMN CCn1cc([C@@H](C)NC2(c3ccccc3F)CCC2)cn1 ZINC000647333637 1129570142 /nfs/dbraw/zinc/57/01/42/1129570142.db2.gz WBAKORINAHCJMN-CYBMUJFWSA-N 0 1 287.382 3.772 20 0 CHADMN Cc1cccc(C2(N[C@H](C)c3cnccn3)CCC2)c1 ZINC000647332619 1129570292 /nfs/dbraw/zinc/57/02/92/1129570292.db2.gz BCUMDNDHFMBUMT-CQSZACIVSA-N 0 1 267.376 3.515 20 0 CHADMN CC[C@@H](NC1(c2cccc(C)c2)CCC1)c1ccn(C)n1 ZINC000647332769 1129570452 /nfs/dbraw/zinc/57/04/52/1129570452.db2.gz DMUQGDOGEMXESC-MRXNPFEDSA-N 0 1 283.419 3.849 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccccc1F)c1cccs1 ZINC000647346229 1129571885 /nfs/dbraw/zinc/57/18/85/1129571885.db2.gz SSSNEEVSGNEXOS-BXUZGUMPSA-N 0 1 279.380 3.662 20 0 CHADMN C[C@@H](N[C@H](CCO)c1ccccc1F)c1ccc(F)cc1 ZINC000647346399 1129572496 /nfs/dbraw/zinc/57/24/96/1129572496.db2.gz VPMSFRLMSYKLBA-SJKOYZFVSA-N 0 1 291.341 3.739 20 0 CHADMN OCC[C@@H](N[C@@H]1CCCc2ccccc21)c1ccccc1F ZINC000647345426 1129572724 /nfs/dbraw/zinc/57/27/24/1129572724.db2.gz JEWXKCLHURAZOU-RTBURBONSA-N 0 1 299.389 3.916 20 0 CHADMN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCC(C)(C)C1 ZINC000744421016 1129576100 /nfs/dbraw/zinc/57/61/00/1129576100.db2.gz BHRYMMFXKQUXRC-AWEZNQCLSA-N 0 1 296.414 3.899 20 0 CHADMN CC(C)C[C@H]1CC(=O)N(CN2CCC(C(C)(C)C)CC2)C1 ZINC000744435384 1129577355 /nfs/dbraw/zinc/57/73/55/1129577355.db2.gz PEBRDJIVKFDYDN-HNNXBMFYSA-N 0 1 294.483 3.597 20 0 CHADMN Fc1cc(F)cc(CN2CCC[C@@H](c3ccccn3)C2)c1 ZINC000647949918 1129589184 /nfs/dbraw/zinc/58/91/84/1129589184.db2.gz KVXINBPNQFKLDV-CQSZACIVSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1nc(CN2CCC[C@H]2c2cccc(C)c2C)co1 ZINC000647965468 1129590075 /nfs/dbraw/zinc/59/00/75/1129590075.db2.gz XZXSMVBCTORFCK-KRWDZBQOSA-N 0 1 270.376 3.937 20 0 CHADMN Nc1cccc(CNC2(c3ccccc3Cl)CC2)c1 ZINC000647995330 1129591185 /nfs/dbraw/zinc/59/11/85/1129591185.db2.gz PAZHAXPCGOUDRV-UHFFFAOYSA-N 0 1 272.779 3.701 20 0 CHADMN CC(C)Cn1nccc1CN1CC2(CCC2)[C@H]1C(C)C ZINC000648038235 1129593205 /nfs/dbraw/zinc/59/32/05/1129593205.db2.gz RRAHJQRAEWYDER-MRXNPFEDSA-N 0 1 275.440 3.550 20 0 CHADMN CC(C)[C@H]1N(Cc2nc3ccccc3n2C)CC12CC=CC2 ZINC000648072865 1129596276 /nfs/dbraw/zinc/59/62/76/1129596276.db2.gz ULVRETGXOZRTGF-GOSISDBHSA-N 0 1 295.430 3.750 20 0 CHADMN OCc1ccc(CN2CC3(CC=CC3)[C@H]2c2ccccc2)o1 ZINC000648074345 1129597578 /nfs/dbraw/zinc/59/75/78/1129597578.db2.gz RHTASKTZBAIFLR-GOSISDBHSA-N 0 1 295.382 3.665 20 0 CHADMN COc1ccc(CN(C)Cc2csc(C)c2)cc1OC ZINC000648348502 1129603289 /nfs/dbraw/zinc/60/32/89/1129603289.db2.gz VLQRRNXUOJQKMZ-UHFFFAOYSA-N 0 1 291.416 3.706 20 0 CHADMN CC1=CC[N@@H+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648374772 1129604789 /nfs/dbraw/zinc/60/47/89/1129604789.db2.gz ZCJNLRPMTZVZIT-UHFFFAOYSA-N 0 1 262.740 3.633 20 0 CHADMN CC1=CCN(Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648374772 1129604790 /nfs/dbraw/zinc/60/47/90/1129604790.db2.gz ZCJNLRPMTZVZIT-UHFFFAOYSA-N 0 1 262.740 3.633 20 0 CHADMN CC[C@H](CC1CCCCC1)C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC001137610895 1131384843 /nfs/dbraw/zinc/38/48/43/1131384843.db2.gz JJZMWUMYMCWGBP-YQQAZPJKSA-N 0 1 294.483 3.534 20 0 CHADMN C(N[C@@H]1CCCC12CCCCC2)c1nnc(C2CC2)o1 ZINC000648529083 1129611920 /nfs/dbraw/zinc/61/19/20/1129611920.db2.gz HMJVBZBVRRZKPP-CYBMUJFWSA-N 0 1 275.396 3.540 20 0 CHADMN CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cccc2nc[nH]c21 ZINC001136595964 1131385931 /nfs/dbraw/zinc/38/59/31/1131385931.db2.gz QPAPFPOOFVYDTK-HIFRSBDPSA-N 0 1 299.418 3.898 20 0 CHADMN CCOc1ccccc1-c1cc2[nH]cnc2cc1C ZINC001239560469 1131386256 /nfs/dbraw/zinc/38/62/56/1131386256.db2.gz WHUZOAPBGUMRBL-UHFFFAOYSA-N 0 1 252.317 3.937 20 0 CHADMN Cc1cc(-c2ccc3nc[nH]c3c2C)cc(C)c1N ZINC001241883365 1129625507 /nfs/dbraw/zinc/62/55/07/1129625507.db2.gz CPYZCMYMPJVJRL-UHFFFAOYSA-N 0 1 251.333 3.737 20 0 CHADMN CC(C)(c1ccc(F)cc1)C1(NCc2nccs2)CC1 ZINC000648820240 1129627106 /nfs/dbraw/zinc/62/71/06/1129627106.db2.gz VMTLNFZRJCOCBZ-UHFFFAOYSA-N 0 1 290.407 3.882 20 0 CHADMN C[C@@H](NC[C@@](C)(O)c1cccs1)c1c(F)cccc1F ZINC000305155690 1129630476 /nfs/dbraw/zinc/63/04/76/1129630476.db2.gz VQINHCHFDOLSOD-MEBBXXQBSA-N 0 1 297.370 3.585 20 0 CHADMN c1nnc(-c2ccc(-c3nc(C4CCCCC4)no3)cc2)[nH]1 ZINC000185292040 1129632180 /nfs/dbraw/zinc/63/21/80/1129632180.db2.gz UQNFZPSWFOZJEL-UHFFFAOYSA-N 0 1 295.346 3.569 20 0 CHADMN CC(C)CC(=O)CCN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000828476982 1131387333 /nfs/dbraw/zinc/38/73/33/1131387333.db2.gz DLTARBNSDWQHFI-QWHCGFSZSA-N 0 1 292.250 3.507 20 0 CHADMN FC(F)(F)[C@H]1CCCN(CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822564467 1131387505 /nfs/dbraw/zinc/38/75/05/1131387505.db2.gz FVBKMRROAQRINY-BDAKNGLRSA-N 0 1 290.156 3.845 20 0 CHADMN FC(F)(F)[C@H]1CCCN(CC[C@H]2CC2(Cl)Cl)C1 ZINC000822564469 1131387522 /nfs/dbraw/zinc/38/75/22/1131387522.db2.gz FVBKMRROAQRINY-IUCAKERBSA-N 0 1 290.156 3.845 20 0 CHADMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc3n(n2)CCC3)c1C ZINC000649539725 1129655467 /nfs/dbraw/zinc/65/54/67/1129655467.db2.gz DVUOLXNZYSDKRZ-IBGZPJMESA-N 0 1 295.430 3.783 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2cc3n(n2)CCC3)c1C ZINC000649539725 1129655469 /nfs/dbraw/zinc/65/54/69/1129655469.db2.gz DVUOLXNZYSDKRZ-IBGZPJMESA-N 0 1 295.430 3.783 20 0 CHADMN CCc1ccc([C@@H]2CCCC[N@H+]2CCc2cncc(C)n2)o1 ZINC000649539749 1129656031 /nfs/dbraw/zinc/65/60/31/1129656031.db2.gz FTXQTPGJWNIQOK-KRWDZBQOSA-N 0 1 299.418 3.710 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)nc1)Cc1cccc2ncccc12 ZINC001137629382 1131388601 /nfs/dbraw/zinc/38/86/01/1131388601.db2.gz LIECWRIGXZTPRF-UHFFFAOYSA-N 0 1 297.789 3.915 20 0 CHADMN Cc1ccc(C(C)(C)CN(C)Cc2cc3n(n2)CCC3)cc1 ZINC000649541818 1129656510 /nfs/dbraw/zinc/65/65/10/1129656510.db2.gz KPRAIQORQGGZHB-UHFFFAOYSA-N 0 1 297.446 3.547 20 0 CHADMN CC(C)(C)[C@@H](NCc1cc2n(n1)CCC2)c1ccccc1 ZINC000649554669 1129657632 /nfs/dbraw/zinc/65/76/32/1129657632.db2.gz JAELFYXADSGIQQ-KRWDZBQOSA-N 0 1 283.419 3.706 20 0 CHADMN Fc1ccc2c(c1)CCN(Cc1cccc3ncccc13)C2 ZINC001137630514 1131388616 /nfs/dbraw/zinc/38/86/16/1131388616.db2.gz AUABFJIEQWJMCS-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN CCOc1ccc(-c2ccc3nc[nH]c3c2C)cc1 ZINC001239563716 1131388821 /nfs/dbraw/zinc/38/88/21/1131388821.db2.gz NCRVIJRECHKNPO-UHFFFAOYSA-N 0 1 252.317 3.937 20 0 CHADMN CC[C@@H](NCc1cc(C)ccn1)c1ccc(OC)cc1 ZINC000392790460 1129660274 /nfs/dbraw/zinc/66/02/74/1129660274.db2.gz YAWYQPRXXFTQQX-QGZVFWFLSA-N 0 1 270.376 3.640 20 0 CHADMN Cc1cccc([C@@H]2CCN(Cc3cc4n(n3)CCCC4)C2)c1 ZINC000649582539 1129660839 /nfs/dbraw/zinc/66/08/39/1129660839.db2.gz IRRCEMDQUQNEBY-QGZVFWFLSA-N 0 1 295.430 3.517 20 0 CHADMN Cc1nnsc1CN1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000649632599 1129664808 /nfs/dbraw/zinc/66/48/08/1129664808.db2.gz QBNIAXHLIJGJFN-CQSZACIVSA-N 0 1 287.432 3.820 20 0 CHADMN Cc1ccccc1C1(NCc2ccncc2F)CCC1 ZINC000649644171 1129665392 /nfs/dbraw/zinc/66/53/92/1129665392.db2.gz VKGORCPTUWSLJO-UHFFFAOYSA-N 0 1 270.351 3.698 20 0 CHADMN C[C@@H](NCc1ccon1)[C@@H](C)c1nc2ccccc2s1 ZINC000766419543 1129665695 /nfs/dbraw/zinc/66/56/95/1129665695.db2.gz MBQDTWRHASEZLO-GHMZBOCLSA-N 0 1 287.388 3.566 20 0 CHADMN Cc1noc(C)c1CNC1(c2ccccc2C)CCC1 ZINC000649644869 1129665838 /nfs/dbraw/zinc/66/58/38/1129665838.db2.gz VQCKRCYOKASOEP-UHFFFAOYSA-N 0 1 270.376 3.769 20 0 CHADMN C[C@]1(c2cccc(F)c2)CCN(Cc2cncc(F)c2)C1 ZINC000649662207 1129667624 /nfs/dbraw/zinc/66/76/24/1129667624.db2.gz ZJMOGPZAVYSOKS-KRWDZBQOSA-N 0 1 288.341 3.523 20 0 CHADMN CC(C)O[C@H]1CCCN([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000649700014 1129672060 /nfs/dbraw/zinc/67/20/60/1129672060.db2.gz XFZGIXYCJUKZSP-JSGCOSHPSA-N 0 1 283.362 3.915 20 0 CHADMN FC(F)C(F)(F)CN1CCC2(CCCC2)CC1 ZINC000738342329 1129672651 /nfs/dbraw/zinc/67/26/51/1129672651.db2.gz BJISNNDUYSIORZ-UHFFFAOYSA-N 0 1 253.283 3.543 20 0 CHADMN Cc1nc2cncc(NC(C)(C)c3ccc(C)cc3)c2[nH]1 ZINC001168803777 1129673363 /nfs/dbraw/zinc/67/33/63/1129673363.db2.gz LTPIPTAJSGSVQY-UHFFFAOYSA-N 0 1 280.375 3.922 20 0 CHADMN CCOc1ccc(-c2ccc(F)c(CN(C)C)c2)cc1 ZINC001239565771 1131390020 /nfs/dbraw/zinc/39/00/20/1131390020.db2.gz NWEKRSRTDACICO-UHFFFAOYSA-N 0 1 273.351 3.953 20 0 CHADMN COc1ccc(-c2cnc(CNC3(C4CCC4)CC3)o2)cc1 ZINC000649807799 1129678497 /nfs/dbraw/zinc/67/84/97/1129678497.db2.gz GNIFISGQLUSDFM-UHFFFAOYSA-N 0 1 298.386 3.773 20 0 CHADMN CCO[C@H](C)c1nc(CNC2(C3CCC3)CC2)cs1 ZINC000649808906 1129679223 /nfs/dbraw/zinc/67/92/23/1129679223.db2.gz VGYQLXXDTRDOML-LLVKDONJSA-N 0 1 280.437 3.663 20 0 CHADMN CC[C@]1(C)COCCN1Cc1cccc(OC(C)(C)C)c1 ZINC001168848370 1129679603 /nfs/dbraw/zinc/67/96/03/1129679603.db2.gz NEXPWNRRHYFNLD-GOSISDBHSA-N 0 1 291.435 3.865 20 0 CHADMN Cc1cc(CN2C[C@H](C)OCC23CCC3)c(C)s1 ZINC000649821933 1129679652 /nfs/dbraw/zinc/67/96/52/1129679652.db2.gz UTTUIWBZYJPNCH-NSHDSACASA-N 0 1 265.422 3.508 20 0 CHADMN Brc1cccc2ncc(NCCC3CCC3)n21 ZINC001168889703 1129680604 /nfs/dbraw/zinc/68/06/04/1129680604.db2.gz QWVOKWPDNXSINB-UHFFFAOYSA-N 0 1 294.196 3.699 20 0 CHADMN C[C@H](c1ccncc1)N1CCc2ccc(F)cc2[C@H](C)C1 ZINC000649894367 1129684512 /nfs/dbraw/zinc/68/45/12/1129684512.db2.gz JLOAJNCLRZRNDU-ZIAGYGMSSA-N 0 1 284.378 3.944 20 0 CHADMN C[C@@H](c1ccncc1)N1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000649894364 1129684573 /nfs/dbraw/zinc/68/45/73/1129684573.db2.gz JLOAJNCLRZRNDU-KBPBESRZSA-N 0 1 284.378 3.944 20 0 CHADMN COc1cc(CN2CC[C@@]3(CC3(F)F)C2)ccc1Cl ZINC000649907821 1129686164 /nfs/dbraw/zinc/68/61/64/1129686164.db2.gz AJABRZOJSQHKFP-CYBMUJFWSA-N 0 1 287.737 3.580 20 0 CHADMN C[C@@H]1Cc2cc(CNCc3ccc(Cl)o3)ccc2O1 ZINC000720716142 1129691107 /nfs/dbraw/zinc/69/11/07/1129691107.db2.gz SCRABKJAGDLLAU-SNVBAGLBSA-N 0 1 277.751 3.546 20 0 CHADMN Cc1cc(NC(C)(C)CC(C)(C)C)nc2[nH]cnc21 ZINC001169052431 1129692695 /nfs/dbraw/zinc/69/26/95/1129692695.db2.gz PCOBEXGJKAVTDM-UHFFFAOYSA-N 0 1 260.385 3.893 20 0 CHADMN CC(C)(C)CC(C)(C)Nc1cc(O[C@@H]2CCOC2)ccn1 ZINC001169052959 1129693331 /nfs/dbraw/zinc/69/33/31/1129693331.db2.gz SMWQGXYCUNWADY-CQSZACIVSA-N 0 1 292.423 3.876 20 0 CHADMN CCCC[C@@H](CC)CN[C@H](CC)c1noc(C)n1 ZINC001169113180 1129703004 /nfs/dbraw/zinc/70/30/04/1129703004.db2.gz SEYGPRVCWCSVSV-CHWSQXEVSA-N 0 1 253.390 3.635 20 0 CHADMN CCCC[C@H](CC)CN[C@H](CC)c1noc(C)n1 ZINC001169113182 1129703487 /nfs/dbraw/zinc/70/34/87/1129703487.db2.gz SEYGPRVCWCSVSV-QWHCGFSZSA-N 0 1 253.390 3.635 20 0 CHADMN Cc1ccc(C)c(N[C@H](C2CCC2)C(F)(F)F)n1 ZINC001169281221 1129714577 /nfs/dbraw/zinc/71/45/77/1129714577.db2.gz HZHHGZNRNHZCSD-LLVKDONJSA-N 0 1 258.287 3.841 20 0 CHADMN CC(C)(C)C1CCN(Cc2nc3c(o2)CCCC3)CC1 ZINC001169307264 1129718596 /nfs/dbraw/zinc/71/85/96/1129718596.db2.gz QVHAKWMHSBOPLP-UHFFFAOYSA-N 0 1 276.424 3.812 20 0 CHADMN CCOC(=O)[C@@H](C)[N@@H+](CCC1CCCCCC1)C1CC1 ZINC001169341983 1129718769 /nfs/dbraw/zinc/71/87/69/1129718769.db2.gz ILLJBPNMFGWCHU-CQSZACIVSA-N 0 1 281.440 3.763 20 0 CHADMN CCOC(=O)[C@@H](C)N(CCC1CCCCCC1)C1CC1 ZINC001169341983 1129718772 /nfs/dbraw/zinc/71/87/72/1129718772.db2.gz ILLJBPNMFGWCHU-CQSZACIVSA-N 0 1 281.440 3.763 20 0 CHADMN Cc1cc(N[C@@H]2C[C@H](C)c3ccccc32)nc2[nH]cnc21 ZINC001169367046 1129721083 /nfs/dbraw/zinc/72/10/83/1129721083.db2.gz RITKTTCYLSGLOY-IINYFYTJSA-N 0 1 278.359 3.927 20 0 CHADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1-c1ccccc1C ZINC000650805547 1129722897 /nfs/dbraw/zinc/72/28/97/1129722897.db2.gz CPYOGLBEJDHENG-SFHVURJKSA-N 0 1 297.398 3.957 20 0 CHADMN Cc1nc(-c2ccccc2)sc1[C@H](C)NCc1c[nH]cn1 ZINC000796449838 1129727906 /nfs/dbraw/zinc/72/79/06/1129727906.db2.gz LYCPSGBDAUTWDB-NSHDSACASA-N 0 1 298.415 3.692 20 0 CHADMN COc1cccnc1CN[C@H](CC1CC1)c1ccccc1 ZINC000651476456 1129740652 /nfs/dbraw/zinc/74/06/52/1129740652.db2.gz ZSYOGDOYSUSAIK-MRXNPFEDSA-N 0 1 282.387 3.721 20 0 CHADMN COc1cccc(C2(NCc3cc4cnccc4o3)CC2)c1 ZINC000651732814 1129746093 /nfs/dbraw/zinc/74/60/93/1129746093.db2.gz KECUATGPVYHVNM-UHFFFAOYSA-N 0 1 294.354 3.615 20 0 CHADMN Cc1cc(F)cc2c1CN(C[C@H]1CCC(C)(C)CO1)CC2 ZINC001169696316 1129748170 /nfs/dbraw/zinc/74/81/70/1129748170.db2.gz GUIIAHXVWZCJAW-MRXNPFEDSA-N 0 1 291.410 3.697 20 0 CHADMN CN(C)c1ccccc1CN(C)Cc1cc2cnccc2o1 ZINC000651812620 1129748339 /nfs/dbraw/zinc/74/83/39/1129748339.db2.gz FJNVVHBQIMIEBR-UHFFFAOYSA-N 0 1 295.386 3.526 20 0 CHADMN COCC[C@H]1CCCCN1Cc1ccc(Cl)cc1F ZINC001137660541 1131395076 /nfs/dbraw/zinc/39/50/76/1131395076.db2.gz QBGZPXJZDISPBV-CQSZACIVSA-N 0 1 285.790 3.870 20 0 CHADMN COc1cc(OC)c(CNCc2cc(C)cs2)cc1F ZINC000651821645 1129749260 /nfs/dbraw/zinc/74/92/60/1129749260.db2.gz UAGBVLDWBWWJLP-UHFFFAOYSA-N 0 1 295.379 3.503 20 0 CHADMN C[C@@H](O)[C@H](N[C@@H](C)c1ccccc1)c1ccccc1F ZINC000651892663 1129750970 /nfs/dbraw/zinc/75/09/70/1129750970.db2.gz GKKNTJAXZAZDCE-AHIWAGSCSA-N 0 1 273.351 3.598 20 0 CHADMN CC[C@@H]1CN(Cc2ccc3cnccc3c2)[C@@H](CC)CO1 ZINC000651913528 1129752322 /nfs/dbraw/zinc/75/23/22/1129752322.db2.gz ZEVJFZPVZLQKLT-ZWKOTPCHSA-N 0 1 284.403 3.624 20 0 CHADMN COc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)nc1 ZINC000766805273 1129753458 /nfs/dbraw/zinc/75/34/58/1129753458.db2.gz DSCQAJQHYKDMNU-INIZCTEOSA-N 0 1 288.778 3.521 20 0 CHADMN Clc1cnccc1CNc1ccc2c(n1)CCCC2 ZINC000712351683 1129757774 /nfs/dbraw/zinc/75/77/74/1129757774.db2.gz HZXIBCUVKQMMMK-UHFFFAOYSA-N 0 1 273.767 3.621 20 0 CHADMN Cc1ccccc1C1(N[C@H]2C[C@H](C)n3ccnc32)CCC1 ZINC000652216790 1129759693 /nfs/dbraw/zinc/75/96/93/1129759693.db2.gz GNNGKUPODFFFJU-HOCLYGCPSA-N 0 1 281.403 3.866 20 0 CHADMN COc1ccc(Cl)cc1C[N@H+]1CCC(C)=C(C)C1 ZINC001169834862 1129759798 /nfs/dbraw/zinc/75/97/98/1129759798.db2.gz ZNIASHUPMCZIHC-UHFFFAOYSA-N 0 1 265.784 3.891 20 0 CHADMN COc1ccc(Cl)cc1CN1CCC(C)=C(C)C1 ZINC001169834862 1129759801 /nfs/dbraw/zinc/75/98/01/1129759801.db2.gz ZNIASHUPMCZIHC-UHFFFAOYSA-N 0 1 265.784 3.891 20 0 CHADMN C[C@@H](N[C@@H](CO)CCF)c1cc(F)c(Cl)cc1Cl ZINC000652305928 1129762338 /nfs/dbraw/zinc/76/23/38/1129762338.db2.gz LUKGHCUUYXXKOS-HTQZYQBOSA-N 0 1 298.160 3.504 20 0 CHADMN CC(C)CC[N@@H+](C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000652388700 1129764446 /nfs/dbraw/zinc/76/44/46/1129764446.db2.gz VEECVPBAJMPYJE-CYBMUJFWSA-N 0 1 287.762 3.583 20 0 CHADMN O=C([O-])CCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000652416162 1129765284 /nfs/dbraw/zinc/76/52/84/1129765284.db2.gz LOGRFSVBWOZYMR-ZACQAIPSSA-N 0 1 287.403 3.509 20 0 CHADMN CC(C)c1cnc(CN(C)[C@H]2CCC(C)(C)C2)o1 ZINC000796533259 1129774804 /nfs/dbraw/zinc/77/48/04/1129774804.db2.gz RHFFFSWJJZMLEO-LBPRGKRZSA-N 0 1 250.386 3.809 20 0 CHADMN CC(C)c1cnc(CN(C)[C@@H]2CCC(C)(C)C2)o1 ZINC000796533258 1129775130 /nfs/dbraw/zinc/77/51/30/1129775130.db2.gz RHFFFSWJJZMLEO-GFCCVEGCSA-N 0 1 250.386 3.809 20 0 CHADMN C[C@H]1C[C@H](C)CN(Cc2occc2Br)C1 ZINC000768138557 1129836529 /nfs/dbraw/zinc/83/65/29/1129836529.db2.gz ZCWVOUBOVWHMEF-UWVGGRQHSA-N 0 1 272.186 3.520 20 0 CHADMN CC(C)(C)c1nnc(CN2CCC[C@H](C(C)(C)C)C2)o1 ZINC000796577035 1129785285 /nfs/dbraw/zinc/78/52/85/1129785285.db2.gz YDSREBHXNUMOGA-LBPRGKRZSA-N 0 1 279.428 3.625 20 0 CHADMN Fc1ccc2c(c1)CN(CCc1noc3ccccc31)CC2 ZINC000653585353 1129786580 /nfs/dbraw/zinc/78/65/80/1129786580.db2.gz NKZWDFIAYQTJFO-UHFFFAOYSA-N 0 1 296.345 3.568 20 0 CHADMN Cc1cc(CN[C@@H]2CSCc3ccccc32)c(C)o1 ZINC000767348994 1129787078 /nfs/dbraw/zinc/78/70/78/1129787078.db2.gz MICJMXRYEPGJOG-MRXNPFEDSA-N 0 1 273.401 3.974 20 0 CHADMN CCOc1cccc(Cl)c1CN1CCC[C@@H](OC)CC1 ZINC000653612811 1129788228 /nfs/dbraw/zinc/78/82/28/1129788228.db2.gz HOOOHAVCWLELLR-CYBMUJFWSA-N 0 1 297.826 3.740 20 0 CHADMN CC(=O)c1cc(CN2CC[C@@H]([C@@H]3CCCC3(C)C)C2)on1 ZINC000653777721 1129795295 /nfs/dbraw/zinc/79/52/95/1129795295.db2.gz TWUFBKZARIXVJR-HIFRSBDPSA-N 0 1 290.407 3.525 20 0 CHADMN Cc1nn(C)c(Cl)c1CN(C)CC1CCC(C)CC1 ZINC000741793704 1129798331 /nfs/dbraw/zinc/79/83/31/1129798331.db2.gz OFZYCPGZYWCERY-UHFFFAOYSA-N 0 1 283.847 3.640 20 0 CHADMN CCCCc1nc(CN[C@@H](CC)[C@@H]2CCCCO2)cs1 ZINC000653878967 1129799362 /nfs/dbraw/zinc/79/93/62/1129799362.db2.gz IOTVAJAELPDZGM-GJZGRUSLSA-N 0 1 296.480 3.923 20 0 CHADMN CCCCc1nc(CN[C@@H](CC)[C@H]2CCCCO2)cs1 ZINC000653878969 1129799514 /nfs/dbraw/zinc/79/95/14/1129799514.db2.gz IOTVAJAELPDZGM-LSDHHAIUSA-N 0 1 296.480 3.923 20 0 CHADMN CC[C@H](NCc1csc(C(C)(C)C)n1)[C@@H]1CCCCO1 ZINC000653880391 1129800260 /nfs/dbraw/zinc/80/02/60/1129800260.db2.gz KEHAQVFPRSMOPC-KBPBESRZSA-N 0 1 296.480 3.878 20 0 CHADMN CC(C)CCCN[C@@H](Cc1ccccc1)c1ncco1 ZINC000653913735 1129802110 /nfs/dbraw/zinc/80/21/10/1129802110.db2.gz YQOYMASQWZGRIQ-INIZCTEOSA-N 0 1 272.392 3.984 20 0 CHADMN CCCCCN[C@@H](Cc1ccccc1)c1ncco1 ZINC000653913143 1129802538 /nfs/dbraw/zinc/80/25/38/1129802538.db2.gz YNYFFZHVHZTALY-HNNXBMFYSA-N 0 1 258.365 3.738 20 0 CHADMN CCOC(CN[C@H](C)c1ccccc1OC(C)C)OCC ZINC000767817573 1129815971 /nfs/dbraw/zinc/81/59/71/1129815971.db2.gz TUWAMSDTFFLOLK-CQSZACIVSA-N 0 1 295.423 3.524 20 0 CHADMN C[C@@]1(c2ccc(F)cc2)CCN(C/C=C/Cl)C1 ZINC000796608897 1129818105 /nfs/dbraw/zinc/81/81/05/1129818105.db2.gz IUAFJEJGHJIUHT-JPFFYJABSA-N 0 1 253.748 3.542 20 0 CHADMN OCC[C@@H](NCc1ccc(F)cc1Cl)c1cccs1 ZINC000767920685 1129818778 /nfs/dbraw/zinc/81/87/78/1129818778.db2.gz OUEPYDJRZXJTOO-CYBMUJFWSA-N 0 1 299.798 3.754 20 0 CHADMN CCCCC[C@@H]1CCCN1Cc1nnc(C(C)(C)C)o1 ZINC000767907294 1129821020 /nfs/dbraw/zinc/82/10/20/1129821020.db2.gz UQWRDKQCZGNDHJ-CYBMUJFWSA-N 0 1 279.428 3.912 20 0 CHADMN Brc1cccnc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000384075998 1129834388 /nfs/dbraw/zinc/83/43/88/1129834388.db2.gz RSYFKKBXRGCORI-FZMZJTMJSA-N 0 1 295.224 3.609 20 0 CHADMN Cc1ccc2nc(NC(=O)c3c(C)cc(F)cc3C)[nH]c2c1 ZINC001129385766 1129834755 /nfs/dbraw/zinc/83/47/55/1129834755.db2.gz POLOZULLAIHRRG-UHFFFAOYSA-N 0 1 297.333 3.880 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2occc2Br)C1 ZINC000768138556 1129835735 /nfs/dbraw/zinc/83/57/35/1129835735.db2.gz ZCWVOUBOVWHMEF-NXEZZACHSA-N 0 1 272.186 3.520 20 0 CHADMN FC(F)SCc1ccc(CN2C3CCC2CC3)o1 ZINC000768232261 1129845026 /nfs/dbraw/zinc/84/50/26/1129845026.db2.gz ZCQABAMVGXIOIK-UHFFFAOYSA-N 0 1 273.348 3.862 20 0 CHADMN Cc1ccc(CN(Cc2ccc3c(c2)COC3)C2CC2)o1 ZINC000768257532 1129846786 /nfs/dbraw/zinc/84/67/86/1129846786.db2.gz KYJSKBJAHMQUIR-UHFFFAOYSA-N 0 1 283.371 3.783 20 0 CHADMN C[C@@H]1CCC[C@H](N(C)Cc2c(Cl)nc(Cl)n2C)C1 ZINC000768261347 1129848378 /nfs/dbraw/zinc/84/83/78/1129848378.db2.gz CFFLJRIYUGOECC-ZJUUUORDSA-N 0 1 290.238 3.737 20 0 CHADMN Cc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)cc1C(=O)[O-] ZINC000723824495 1129850538 /nfs/dbraw/zinc/85/05/38/1129850538.db2.gz RWLCINSYFSZJNT-CHWSQXEVSA-N 0 1 275.392 3.561 20 0 CHADMN CCN(Cc1occc1Br)CC(C)C ZINC000768334268 1129850608 /nfs/dbraw/zinc/85/06/08/1129850608.db2.gz CXYIBPWPZIFXQX-UHFFFAOYSA-N 0 1 260.175 3.520 20 0 CHADMN CC(C)[C@H]1CCCN1Cc1occc1Br ZINC000768316296 1129852673 /nfs/dbraw/zinc/85/26/73/1129852673.db2.gz CEGXWPRYICXEQU-LLVKDONJSA-N 0 1 272.186 3.663 20 0 CHADMN CC1(C)SC[C@H]1NCc1ccc(CSC(F)F)o1 ZINC000393874256 1129855894 /nfs/dbraw/zinc/85/58/94/1129855894.db2.gz CWHICSFZMKUTHC-SNVBAGLBSA-N 0 1 293.404 3.719 20 0 CHADMN CC(C)(C)CC(C)(C)c1nc(C2(N)CCCC2)no1 ZINC000900005306 1129856441 /nfs/dbraw/zinc/85/64/41/1129856441.db2.gz FNDZVNQECDUOKC-UHFFFAOYSA-N 0 1 265.401 3.511 20 0 CHADMN CCCc1csc(NC(=O)c2c(O)cccc2Cl)n1 ZINC000768549759 1129862238 /nfs/dbraw/zinc/86/22/38/1129862238.db2.gz DGOAMITWVHPATI-UHFFFAOYSA-N 0 1 296.779 3.707 20 0 CHADMN Cl/C=C/CN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000768543944 1129863327 /nfs/dbraw/zinc/86/33/27/1129863327.db2.gz XNHCBLAVNSDBTN-WNPFHQFXSA-N 0 1 296.867 3.954 20 0 CHADMN Cc1cc(Cl)nc(CNCc2cncc3ccccc32)c1 ZINC000800286085 1129863576 /nfs/dbraw/zinc/86/35/76/1129863576.db2.gz VLGQZETYEZKGQZ-UHFFFAOYSA-N 0 1 297.789 3.881 20 0 CHADMN Cc1cc(Cl)nc(CNCc2ccccc2C)c1 ZINC000800284701 1129863728 /nfs/dbraw/zinc/86/37/28/1129863728.db2.gz NYFFLHWYPANGQB-UHFFFAOYSA-N 0 1 260.768 3.642 20 0 CHADMN CCn1nccc1CN1CCC(C2CCCCC2)CC1 ZINC000768771099 1129873068 /nfs/dbraw/zinc/87/30/68/1129873068.db2.gz MWOQCUNVJPRZSY-UHFFFAOYSA-N 0 1 275.440 3.695 20 0 CHADMN Cn1nccc1[C@H]1CCCN(Cc2cscc2Cl)C1 ZINC000768942447 1129880669 /nfs/dbraw/zinc/88/06/69/1129880669.db2.gz ZOIDHCAXXDAPHH-NSHDSACASA-N 0 1 295.839 3.515 20 0 CHADMN COc1ccc2nc(SCCSC(C)C)[nH]c2c1 ZINC000800828083 1129891620 /nfs/dbraw/zinc/89/16/20/1129891620.db2.gz AEVQUIVRRVEKIQ-UHFFFAOYSA-N 0 1 282.434 3.805 20 0 CHADMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c2ccc(Cl)cc12 ZINC001137710116 1131405419 /nfs/dbraw/zinc/40/54/19/1131405419.db2.gz QOFRVKZOTDWVGL-BETUJISGSA-N 0 1 288.778 3.517 20 0 CHADMN CCC[C@H](CC)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000822922898 1131405475 /nfs/dbraw/zinc/40/54/75/1131405475.db2.gz RZHWJIYODTVOOZ-QMMMGPOBSA-N 0 1 273.735 3.950 20 0 CHADMN Cc1cc(CN2CCC(C)(C)CC2)cnc1Cl ZINC000769306819 1129901212 /nfs/dbraw/zinc/90/12/12/1129901212.db2.gz CTPYAVQFLFVZMV-UHFFFAOYSA-N 0 1 252.789 3.665 20 0 CHADMN C[C@H](CN(C)Cc1coc(C2CC2)n1)c1ccccc1 ZINC000769318804 1129902199 /nfs/dbraw/zinc/90/21/99/1129902199.db2.gz MWVUWGRRTIHGNL-CYBMUJFWSA-N 0 1 270.376 3.788 20 0 CHADMN CN(Cc1cc(F)cc(F)c1)C[C@@H]1CCCC(C)(C)O1 ZINC001170004938 1129902585 /nfs/dbraw/zinc/90/25/85/1129902585.db2.gz VGXYAIHTVYHFAO-HNNXBMFYSA-N 0 1 283.362 3.744 20 0 CHADMN Cc1nc(C)c(C(=O)Nc2c(C)cccc2C(C)C)[nH]1 ZINC000900940421 1129905836 /nfs/dbraw/zinc/90/58/36/1129905836.db2.gz GFLBWTHJSQLSFZ-UHFFFAOYSA-N 0 1 271.364 3.711 20 0 CHADMN C[C@H]1CC[C@H](C)N(Cc2occc2Br)C1 ZINC000769445183 1129905904 /nfs/dbraw/zinc/90/59/04/1129905904.db2.gz FVQOGFMVPHLWNL-UWVGGRQHSA-N 0 1 272.186 3.663 20 0 CHADMN Fc1cccc2c1CCN(Cc1ccnc3ccccc13)C2 ZINC000769388333 1129906124 /nfs/dbraw/zinc/90/61/24/1129906124.db2.gz RWKCAIQTYKSRAE-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN C[C@H]1CCCCCN1Cc1occc1Br ZINC000769404071 1129907095 /nfs/dbraw/zinc/90/70/95/1129907095.db2.gz IVLYVMSZIXLVBZ-JTQLQIEISA-N 0 1 272.186 3.807 20 0 CHADMN CC(C)[C@H]1CCCN(Cc2coc(C3CC3)n2)CC1 ZINC000769429072 1129908306 /nfs/dbraw/zinc/90/83/06/1129908306.db2.gz ZXCOIZQBQAWFEL-ZDUSSCGKSA-N 0 1 262.397 3.810 20 0 CHADMN C[C@H]1SCCN(Cc2ccoc2)[C@H]1c1ccccc1 ZINC000769464500 1129911769 /nfs/dbraw/zinc/91/17/69/1129911769.db2.gz ZUUFJKKODGSQNJ-CZUORRHYSA-N 0 1 273.401 3.958 20 0 CHADMN CCO[C@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000901364648 1129916763 /nfs/dbraw/zinc/91/67/63/1129916763.db2.gz IGLJGTOJGKJPOI-LBPRGKRZSA-N 0 1 276.405 3.784 20 0 CHADMN Clc1nn(CN2CCC3(CCC3)C2)c2ccccc12 ZINC000769647291 1129920352 /nfs/dbraw/zinc/92/03/52/1129920352.db2.gz HWTZYCAXUGKKMP-UHFFFAOYSA-N 0 1 275.783 3.523 20 0 CHADMN CCO[C@@H](C)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000901399656 1129921364 /nfs/dbraw/zinc/92/13/64/1129921364.db2.gz ISNIWLNMQNDKKV-MRVPVSSYSA-N 0 1 283.784 3.600 20 0 CHADMN O=C([O-])[C@@H]1CCC[N@@H+](CC2CCC3(CCCCC3)CC2)C1 ZINC000901415167 1129922696 /nfs/dbraw/zinc/92/26/96/1129922696.db2.gz HGYWLDXLFKLRLS-MRXNPFEDSA-N 0 1 293.451 3.924 20 0 CHADMN CCc1oc(C[N@@H+]2CCCCC[C@H]2CC)cc1C(=O)[O-] ZINC000901432667 1129925161 /nfs/dbraw/zinc/92/51/61/1129925161.db2.gz AOOLEZMMPYQPDP-GFCCVEGCSA-N 0 1 279.380 3.695 20 0 CHADMN Cc1cccc(C)c1-c1ccc(N2CCN(C)CC2)cc1 ZINC001239598776 1131408335 /nfs/dbraw/zinc/40/83/35/1131408335.db2.gz XDFAKBOVMNPZJZ-UHFFFAOYSA-N 0 1 280.415 3.722 20 0 CHADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000901469397 1129927454 /nfs/dbraw/zinc/92/74/54/1129927454.db2.gz VIUGXVPCVAVJBD-PBHICJAKSA-N 0 1 281.440 3.636 20 0 CHADMN Cc1ccc([C@@H](C)C[N@@H+]2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000901469780 1129927665 /nfs/dbraw/zinc/92/76/65/1129927665.db2.gz WHUGKTOZTYRJOL-YJBOKZPZSA-N 0 1 289.419 3.531 20 0 CHADMN Cc1ccc(F)c(CN(C)C[C@H](O)c2ccccc2C)c1 ZINC000769910368 1129929254 /nfs/dbraw/zinc/92/92/54/1129929254.db2.gz UWJJOXNWIYZQEH-SFHVURJKSA-N 0 1 287.378 3.608 20 0 CHADMN CCc1noc(C)c1[C@H](C)NC/C=C\c1ccccc1 ZINC000769876655 1129930337 /nfs/dbraw/zinc/93/03/37/1129930337.db2.gz RXRLRWJIKHLCNY-ZWXCPPHNSA-N 0 1 270.376 3.909 20 0 CHADMN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1CCC(=O)C1CC1 ZINC000769955394 1129931680 /nfs/dbraw/zinc/93/16/80/1129931680.db2.gz WZDWGPJSDXGEDI-NWDGAFQWSA-N 0 1 275.367 3.503 20 0 CHADMN Cc1nc2c(n1C[C@H]1CCCC3(CCC3)O1)CCCC2 ZINC000901557849 1129936658 /nfs/dbraw/zinc/93/66/58/1129936658.db2.gz QASMSZBQMYLBPP-CQSZACIVSA-N 0 1 274.408 3.562 20 0 CHADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@H](C)CCc1ccccc1 ZINC000901591767 1129938008 /nfs/dbraw/zinc/93/80/08/1129938008.db2.gz INZOJRGORRXZBQ-MRXNPFEDSA-N 0 1 291.435 3.688 20 0 CHADMN Cc1cc(C)c(/C=C/C[N@@H+](CC(=O)[O-])CC(C)C)c(C)c1 ZINC000901588294 1129938118 /nfs/dbraw/zinc/93/81/18/1129938118.db2.gz VHTPUEDSAGYPBI-VOTSOKGWSA-N 0 1 289.419 3.668 20 0 CHADMN Cc1cscc1NC(=O)c1c(O)cccc1Cl ZINC000770086463 1129938572 /nfs/dbraw/zinc/93/85/72/1129938572.db2.gz FQVAYSKTJPOBBC-UHFFFAOYSA-N 0 1 267.737 3.668 20 0 CHADMN CC1=C[C@H](C)C[C@H](C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC000901629121 1129939663 /nfs/dbraw/zinc/93/96/63/1129939663.db2.gz WGGWFNTYAZERAV-YEWWUXTCSA-N 0 1 299.414 3.663 20 0 CHADMN CCC/C(C)=C/C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000770259273 1129942762 /nfs/dbraw/zinc/94/27/62/1129942762.db2.gz RLZIPTMJRZCNQX-CSKARUKUSA-N 0 1 257.337 3.556 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C=C(C3CC3)C3CC3)ccc12 ZINC000770257721 1129942889 /nfs/dbraw/zinc/94/28/89/1129942889.db2.gz KBBRVXDGBLPSMS-UHFFFAOYSA-N 0 1 281.359 3.556 20 0 CHADMN CCC[C@H](C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000901697459 1129945744 /nfs/dbraw/zinc/94/57/44/1129945744.db2.gz FIKYZZSDALYROD-SJLPKXTDSA-N 0 1 289.419 3.757 20 0 CHADMN CCC[C@@H](C)C[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000901805015 1129955002 /nfs/dbraw/zinc/95/50/02/1129955002.db2.gz XGAGXOHWCGJYMU-OAHLLOKOSA-N 0 1 277.408 3.790 20 0 CHADMN CCCC(=CC(=O)Nc1ccn(-c2ccncc2)n1)CCC ZINC000770734706 1129957441 /nfs/dbraw/zinc/95/74/41/1129957441.db2.gz NZPWESSUCKNFIV-UHFFFAOYSA-N 0 1 298.390 3.732 20 0 CHADMN COc1cccc2cc(CN[C@H](C)c3cnccc3C)oc21 ZINC000770750941 1129958510 /nfs/dbraw/zinc/95/85/10/1129958510.db2.gz PJPDYQNMTNJONL-CYBMUJFWSA-N 0 1 296.370 3.996 20 0 CHADMN Cc1scc(C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-])c1C ZINC000901839387 1129958982 /nfs/dbraw/zinc/95/89/82/1129958982.db2.gz PXWZGXFFPBJCBB-UHFFFAOYSA-N 0 1 297.464 3.934 20 0 CHADMN CC(C)=CCC[C@H](C)CC[N@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC000901890382 1129964500 /nfs/dbraw/zinc/96/45/00/1129964500.db2.gz HYISTFALYVSWSK-LSDHHAIUSA-N 0 1 299.480 3.509 20 0 CHADMN CCCC[C@H](CC)CC[N@H+]1CC2(CCC2)[C@@](F)(C(=O)[O-])C1 ZINC000901909880 1129965173 /nfs/dbraw/zinc/96/51/73/1129965173.db2.gz DRRVFQUVARIALR-YOEHRIQHSA-N 0 1 299.430 3.872 20 0 CHADMN Cc1cscc1NS(=O)(=O)c1c(C)csc1C ZINC000901906469 1129965335 /nfs/dbraw/zinc/96/53/35/1129965335.db2.gz QGTWPTHAALWMTJ-UHFFFAOYSA-N 0 1 287.431 3.536 20 0 CHADMN C/C(=C\c1ccccc1)C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000901916729 1129965394 /nfs/dbraw/zinc/96/53/94/1129965394.db2.gz DNNQEGIPKUSEFC-TYBQKPPPSA-N 0 1 299.414 3.667 20 0 CHADMN CC1=C[C@H](C)C[C@@H](C[N@H+]2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)C1 ZINC000901917881 1129965890 /nfs/dbraw/zinc/96/58/90/1129965890.db2.gz MXWOYELERUIQJV-DNMXQMFDSA-N 0 1 291.435 3.556 20 0 CHADMN Cc1ccccc1-c1cccc(C[N@@H+](CC(=O)[O-])C2CC2)c1 ZINC000901970597 1129968708 /nfs/dbraw/zinc/96/87/08/1129968708.db2.gz AMGCEWLYZKOAHY-UHFFFAOYSA-N 0 1 295.382 3.711 20 0 CHADMN CC(C)C1CCC(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)CC1 ZINC000901994099 1129970333 /nfs/dbraw/zinc/97/03/33/1129970333.db2.gz VXIOARKWRVSZNM-NFOMZHRRSA-N 0 1 281.440 3.634 20 0 CHADMN C[C@H](C[N@@H+](Cc1ccc(C(C)(C)C)s1)C1CC1)C(=O)[O-] ZINC000901994463 1129970579 /nfs/dbraw/zinc/97/05/79/1129970579.db2.gz XRTIYFIMHHQUBH-LLVKDONJSA-N 0 1 295.448 3.731 20 0 CHADMN CNc1ccccc1CN[C@H](C)c1ccc(F)cc1F ZINC000902026903 1129972626 /nfs/dbraw/zinc/97/26/26/1129972626.db2.gz BOEHSQPPGMLPRI-LLVKDONJSA-N 0 1 276.330 3.857 20 0 CHADMN Cc1cc(C)c(/C=C\C[N@@H+](CC(=O)[O-])C2CCC2)cc1C ZINC000902044633 1129973851 /nfs/dbraw/zinc/97/38/51/1129973851.db2.gz HNWXNSAJOXWXSE-WAYWQWQTSA-N 0 1 287.403 3.564 20 0 CHADMN CCn1cnc(CN[C@@H](c2ccc(F)cc2)C(C)C)c1 ZINC000902044162 1129974128 /nfs/dbraw/zinc/97/41/28/1129974128.db2.gz XITULTYKQDOLSO-MRXNPFEDSA-N 0 1 275.371 3.529 20 0 CHADMN CCNc1ccccc1CNCc1cc(C)ccc1OC ZINC000902053529 1129975217 /nfs/dbraw/zinc/97/52/17/1129975217.db2.gz XVDMMRFHSPWEKX-UHFFFAOYSA-N 0 1 284.403 3.725 20 0 CHADMN CNc1ccc(C)cc1CN[C@H]1CCCc2occc21 ZINC000902064532 1129976815 /nfs/dbraw/zinc/97/68/15/1129976815.db2.gz ULGFISBXHOMBQO-INIZCTEOSA-N 0 1 270.376 3.797 20 0 CHADMN CCC(=CC(=O)Nc1cc(F)cc(Cl)c1O)CC ZINC000771508379 1129983080 /nfs/dbraw/zinc/98/30/80/1129983080.db2.gz DTGURGLYYPCWMW-UHFFFAOYSA-N 0 1 271.719 3.870 20 0 CHADMN Cc1cnc(CSc2nc(-c3ccccc3)n[nH]2)s1 ZINC000771541230 1129983976 /nfs/dbraw/zinc/98/39/76/1129983976.db2.gz WFUWQRIGZKXTPJ-UHFFFAOYSA-N 0 1 288.401 3.529 20 0 CHADMN CCn1cnc(CNC2(c3cccc(C)c3)CCCC2)c1 ZINC000902173417 1129985859 /nfs/dbraw/zinc/98/58/59/1129985859.db2.gz QILVHZVDABUJFJ-UHFFFAOYSA-N 0 1 283.419 3.771 20 0 CHADMN CCCC(C)=CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000771661329 1129987023 /nfs/dbraw/zinc/98/70/23/1129987023.db2.gz ZOYPXTMVPCGEOZ-MDZDMXLPSA-N 0 1 287.363 3.971 20 0 CHADMN CCn1cnc(CNCc2cc(C)cc3c(C)c(C)[nH]c32)c1 ZINC000902199461 1129988046 /nfs/dbraw/zinc/98/80/46/1129988046.db2.gz SYJPNDKZKRKHQI-UHFFFAOYSA-N 0 1 296.418 3.599 20 0 CHADMN CNc1ccccc1CN[C@H]1CSc2ccccc21 ZINC000902257543 1129994052 /nfs/dbraw/zinc/99/40/52/1129994052.db2.gz ZBUTUVJADYXDPQ-HNNXBMFYSA-N 0 1 270.401 3.665 20 0 CHADMN CNc1ccccc1CNC1(c2cccc(F)c2)CC1 ZINC000902262096 1129994209 /nfs/dbraw/zinc/99/42/09/1129994209.db2.gz VZZCLTKMLMSCOP-UHFFFAOYSA-N 0 1 270.351 3.646 20 0 CHADMN Cc1cc(CN(C)Cc2ccccc2)cnc1Cl ZINC000771927136 1129995166 /nfs/dbraw/zinc/99/51/66/1129995166.db2.gz GAAPLPLNIJJJOI-UHFFFAOYSA-N 0 1 260.768 3.675 20 0 CHADMN CCNc1ccccc1CNCc1c(C)cccc1F ZINC000902279490 1129996174 /nfs/dbraw/zinc/99/61/74/1129996174.db2.gz MSYVMBVOEJJUTD-UHFFFAOYSA-N 0 1 272.367 3.856 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C[C@H]1C ZINC000902283072 1129996760 /nfs/dbraw/zinc/99/67/60/1129996760.db2.gz XPSWOPDVIGBZJM-BETUJISGSA-N 0 1 299.370 3.733 20 0 CHADMN Cc1cn[nH]c1CSCc1ccc(CF)cc1 ZINC000902353405 1130002491 /nfs/dbraw/zinc/00/24/91/1130002491.db2.gz HIUNYRLUUGEXRT-UHFFFAOYSA-N 0 1 250.342 3.621 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCC1CCC1 ZINC000772101867 1130004134 /nfs/dbraw/zinc/00/41/34/1130004134.db2.gz FKAXRXMAXBTKAY-UHFFFAOYSA-N 0 1 284.359 3.650 20 0 CHADMN CC[C@H](C)OC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000772107329 1130005242 /nfs/dbraw/zinc/00/52/42/1130005242.db2.gz PZJVYKJBLJDVBC-NSHDSACASA-N 0 1 272.348 3.649 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)O[C@H]1C=CCCC1 ZINC000772109003 1130005291 /nfs/dbraw/zinc/00/52/91/1130005291.db2.gz VOHOAZZHSZPJJA-HNNXBMFYSA-N 0 1 296.370 3.959 20 0 CHADMN CC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC000902401525 1130006762 /nfs/dbraw/zinc/00/67/62/1130006762.db2.gz UCVNWFUAJMIANZ-CYBMUJFWSA-N 0 1 299.370 3.877 20 0 CHADMN COc1cc2[nH]c(-c3cnc(Cl)c(C)c3)nc2cc1C ZINC000772180179 1130007157 /nfs/dbraw/zinc/00/71/57/1130007157.db2.gz ZCSAMMMFQSVQRH-UHFFFAOYSA-N 0 1 287.750 3.904 20 0 CHADMN Cc1cn[nH]c1CSCC[C@H]1CC1(Cl)Cl ZINC000902409092 1130007913 /nfs/dbraw/zinc/00/79/13/1130007913.db2.gz BHLBYGJFUFMQIG-QMMMGPOBSA-N 0 1 265.209 3.535 20 0 CHADMN Clc1ccc(-c2noc([C@@H]3CCCCN3)n2)c(Cl)c1 ZINC000823069128 1131413612 /nfs/dbraw/zinc/41/36/12/1131413612.db2.gz FZRMNWVRDHQJDT-NSHDSACASA-N 0 1 298.173 3.858 20 0 CHADMN CCNc1ccccc1CNCc1cc(F)cc(OC)c1 ZINC000902445854 1130011706 /nfs/dbraw/zinc/01/17/06/1130011706.db2.gz MTODOBDDWTZDSF-UHFFFAOYSA-N 0 1 288.366 3.556 20 0 CHADMN CCNc1ccccc1CNCc1ccnc(SC)c1 ZINC000902454711 1130012299 /nfs/dbraw/zinc/01/22/99/1130012299.db2.gz TUBDUMUURJWQNE-UHFFFAOYSA-N 0 1 287.432 3.525 20 0 CHADMN Cc1ccc([C@@H]2CC[N@@H+](Cc3ccoc3C(=O)[O-])C2)c(C)c1 ZINC000902451442 1130012480 /nfs/dbraw/zinc/01/24/80/1130012480.db2.gz SGPDMULMJAHPHY-CQSZACIVSA-N 0 1 299.370 3.584 20 0 CHADMN Cc1cccc([C@H]2CCC[N@H+]2CCC(C)(C)C(=O)[O-])c1 ZINC000902509855 1130018430 /nfs/dbraw/zinc/01/84/30/1130018430.db2.gz KDKPTUOTCVKHFH-OAHLLOKOSA-N 0 1 275.392 3.633 20 0 CHADMN CC(C)c1ccc(-c2cccc(N3CCN(C)CC3)n2)cc1 ZINC001239625597 1130019361 /nfs/dbraw/zinc/01/93/61/1130019361.db2.gz YYQBIBWMBUJQQL-UHFFFAOYSA-N 0 1 295.430 3.624 20 0 CHADMN CC(C)C[C@H]1CCCC[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902523439 1130020145 /nfs/dbraw/zinc/02/01/45/1130020145.db2.gz KIDHZTPLXRNSPT-QIAWRQBBSA-N 0 1 291.391 3.778 20 0 CHADMN Cc1nn(C(C)C)c(C)c1CNc1ccc2nc[nH]c2c1 ZINC000902536919 1130021103 /nfs/dbraw/zinc/02/11/03/1130021103.db2.gz JWXPSNGHSKMIKN-UHFFFAOYSA-N 0 1 283.379 3.569 20 0 CHADMN C[C@H](C1CC1)[N@@H+](C)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902553321 1130024160 /nfs/dbraw/zinc/02/41/60/1130024160.db2.gz KDQBCOBXAKEPFG-GFCCVEGCSA-N 0 1 299.370 3.875 20 0 CHADMN CC(=O)c1ccc(-c2ccc3c(c2)CN(C)CC3)cc1 ZINC001239633610 1130025558 /nfs/dbraw/zinc/02/55/58/1130025558.db2.gz QTWNVFSNHYPDDH-UHFFFAOYSA-N 0 1 265.356 3.544 20 0 CHADMN C[C@H](COC(=O)c1cccc2[nH]ncc21)c1ccccc1 ZINC000785588516 1130040780 /nfs/dbraw/zinc/04/07/80/1130040780.db2.gz FCYVFPVQCXZUTA-GFCCVEGCSA-N 0 1 280.327 3.523 20 0 CHADMN COc1ccc2c(c1)C[C@H](C)C[C@@H]2NCc1ccco1 ZINC000902721263 1130044135 /nfs/dbraw/zinc/04/41/35/1130044135.db2.gz XAWAHGZMWKXVAQ-SJCJKPOMSA-N 0 1 271.360 3.701 20 0 CHADMN CCCn1cc([C@@H](C)N[C@@H](c2ccccc2)C(C)C)nn1 ZINC000902730395 1130046493 /nfs/dbraw/zinc/04/64/93/1130046493.db2.gz QNQHDFFYNXERBK-RHSMWYFYSA-N 0 1 286.423 3.736 20 0 CHADMN [NH3+][C@H]1CCc2ccc(-c3cccc([O-])c3Cl)cc21 ZINC001242802608 1130057345 /nfs/dbraw/zinc/05/73/45/1130057345.db2.gz CIBZSDATHSZGQH-ZDUSSCGKSA-N 0 1 259.736 3.659 20 0 CHADMN CCCn1cc([C@H](C)N[C@@H]2c3ccccc3CC[C@H]2C)nn1 ZINC000902889465 1130079547 /nfs/dbraw/zinc/07/95/47/1130079547.db2.gz KAIBWYNRZYEBBK-GLJUWKHASA-N 0 1 298.434 3.662 20 0 CHADMN CSc1cccc(N[C@H]2CCCc3[nH]ncc32)c1C ZINC000796899255 1130080282 /nfs/dbraw/zinc/08/02/82/1130080282.db2.gz QILVPQJOWVGOAD-ZDUSSCGKSA-N 0 1 273.405 3.930 20 0 CHADMN c1nc2cncc(-c3cncc(Oc4ccccc4)c3)c2[nH]1 ZINC001239751805 1130092077 /nfs/dbraw/zinc/09/20/77/1130092077.db2.gz NHNKXATUFVIZMZ-UHFFFAOYSA-N 0 1 288.310 3.812 20 0 CHADMN C[C@@H](NC1CC(F)(F)C1)c1ccc(C(F)(F)F)cn1 ZINC000902973920 1130093557 /nfs/dbraw/zinc/09/35/57/1130093557.db2.gz YOUNDDCNAFOSSM-SSDOTTSWSA-N 0 1 280.240 3.549 20 0 CHADMN O=C(OCc1sccc1Cl)c1cccc2[nH]ncc21 ZINC000786548036 1130107464 /nfs/dbraw/zinc/10/74/64/1130107464.db2.gz OWDATYROJAOMKR-UHFFFAOYSA-N 0 1 292.747 3.635 20 0 CHADMN CCC(F)(F)CN[C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000903069964 1130107763 /nfs/dbraw/zinc/10/77/63/1130107763.db2.gz NEZLMKCRAIFGQF-UONOGXRCSA-N 0 1 275.383 3.607 20 0 CHADMN CCC[C@H](N[C@@H](c1nncn1C)C(C)C)c1ccccc1 ZINC000903062861 1130108001 /nfs/dbraw/zinc/10/80/01/1130108001.db2.gz XYCRJOXSYRLMQB-JKSUJKDBSA-N 0 1 286.423 3.643 20 0 CHADMN Fc1cc(C2CC2)ccc1N[C@H]1CCCc2cn[nH]c21 ZINC000903081015 1130109869 /nfs/dbraw/zinc/10/98/69/1130109869.db2.gz SXEMHJSMHOOGIX-HNNXBMFYSA-N 0 1 271.339 3.916 20 0 CHADMN C[C@@H](NCCc1ccns1)c1ncc(-c2ccccc2)o1 ZINC000903086201 1130110689 /nfs/dbraw/zinc/11/06/89/1130110689.db2.gz DBIBLUSFIKOUSH-GFCCVEGCSA-N 0 1 299.399 3.691 20 0 CHADMN CCn1ccc2ccc(CN3C[C@H](F)C[C@H]3C)cc21 ZINC001139119411 1130115868 /nfs/dbraw/zinc/11/58/68/1130115868.db2.gz OQFKXXKFWZGLKL-IUODEOHRSA-N 0 1 260.356 3.594 20 0 CHADMN CC(C)[C@H](NCc1nccc2c1CCCC2)c1ccccn1 ZINC000903180924 1130125102 /nfs/dbraw/zinc/12/51/02/1130125102.db2.gz BDKJVCYBYOCJTN-IBGZPJMESA-N 0 1 295.430 3.842 20 0 CHADMN C[C@H](NCCc1ccc2ncccc2c1)c1cscn1 ZINC000903192495 1130127123 /nfs/dbraw/zinc/12/71/23/1130127123.db2.gz JWCOIUAVFPLIKE-LBPRGKRZSA-N 0 1 283.400 3.585 20 0 CHADMN COc1ccc([C@@H](C)N[C@H](C)c2cncnc2C)cc1C ZINC000903234910 1130133429 /nfs/dbraw/zinc/13/34/29/1130133429.db2.gz RWVRXFDNYSMDMI-TZMCWYRMSA-N 0 1 285.391 3.514 20 0 CHADMN Cc1cc([C@@H](C)NCc2cnn(CC3CCC3)c2)cs1 ZINC000903240614 1130134066 /nfs/dbraw/zinc/13/40/66/1130134066.db2.gz VOLJBJPBDWEQNH-CYBMUJFWSA-N 0 1 289.448 3.904 20 0 CHADMN Cc1nc2c[nH]cc(-c3ccc(C)cc3Cl)c-2n1 ZINC001239863993 1130139963 /nfs/dbraw/zinc/13/99/63/1130139963.db2.gz OYYBLRDIGWYVNW-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN Cc1nc2c(cncc2-c2ccc(C)cc2Cl)[nH]1 ZINC001239863993 1130139965 /nfs/dbraw/zinc/13/99/65/1130139965.db2.gz OYYBLRDIGWYVNW-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2OC[C@H]1F)C1CCSCC1 ZINC000903273154 1130142690 /nfs/dbraw/zinc/14/26/90/1130142690.db2.gz UGLREPOKKAQEPQ-PEYYIBSZSA-N 0 1 295.423 3.580 20 0 CHADMN Cc1nc(F)ccc1CN1C[C@H](C)C[C@H]1c1cccnc1 ZINC000787271569 1130143641 /nfs/dbraw/zinc/14/36/41/1130143641.db2.gz MLYGIEZCYAGTON-WBMJQRKESA-N 0 1 285.366 3.507 20 0 CHADMN CCN(CC)C(=O)c1ccc(-c2cccc3nc[nH]c32)cc1 ZINC001239890009 1130147408 /nfs/dbraw/zinc/14/74/08/1130147408.db2.gz XUSVSNDIGRDXOI-UHFFFAOYSA-N 0 1 293.370 3.712 20 0 CHADMN Cc1cc(CO)cc(C)c1CN[C@H](C)c1ccccc1F ZINC000903308514 1130150164 /nfs/dbraw/zinc/15/01/64/1130150164.db2.gz QQFGENSOXKYSRC-CQSZACIVSA-N 0 1 287.378 3.786 20 0 CHADMN Cc1cnc(C)c(-c2ccc(F)c(CN(C)C)c2)c1 ZINC001239904985 1130150531 /nfs/dbraw/zinc/15/05/31/1130150531.db2.gz AHNIEHUUGSNKHN-UHFFFAOYSA-N 0 1 258.340 3.566 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc(F)cc(F)c1)c1cncs1 ZINC000903312146 1130152157 /nfs/dbraw/zinc/15/21/57/1130152157.db2.gz SWSQNXMKXXGQKA-DTWKUNHWSA-N 0 1 268.332 3.833 20 0 CHADMN Cc1cccnc1[C@H](N[C@H](C)c1ccnn1C)C(C)(C)C ZINC000903331611 1130158068 /nfs/dbraw/zinc/15/80/68/1130158068.db2.gz ZKUTUJNFTXYLBS-CJNGLKHVSA-N 0 1 286.423 3.562 20 0 CHADMN c1cc2c(o1)CCC[C@@H]2N[C@@H](c1ccccn1)C1CC1 ZINC000903335101 1130160932 /nfs/dbraw/zinc/16/09/32/1130160932.db2.gz KTOLGGQISVBOHT-WMLDXEAASA-N 0 1 268.360 3.793 20 0 CHADMN C[C@H](N[C@H](c1ccccn1)C1CC1)c1ccccc1N(C)C ZINC000903336517 1130161576 /nfs/dbraw/zinc/16/15/76/1130161576.db2.gz ZROFBEWKYARHDW-LIRRHRJNSA-N 0 1 295.430 3.950 20 0 CHADMN C[C@H](N[C@H](c1ccccn1)C1CC1)c1ccc(Cl)nc1 ZINC000903340066 1130162655 /nfs/dbraw/zinc/16/26/55/1130162655.db2.gz PEVYFFOZEDAHRK-ZBEGNZNMSA-N 0 1 287.794 3.932 20 0 CHADMN c1c[nH]c([C@@H](NC[C@H]2CCC=CCCC2)c2cccnc2)n1 ZINC000903344618 1130163938 /nfs/dbraw/zinc/16/39/38/1130163938.db2.gz INNBGVXWXYQKEU-RDJZCZTQSA-N 0 1 296.418 3.620 20 0 CHADMN c1ccc2c(c1)cncc2-c1cc(N2CCCC2)ccn1 ZINC001239944800 1130164658 /nfs/dbraw/zinc/16/46/58/1130164658.db2.gz PEUOJUWWRVQFSA-UHFFFAOYSA-N 0 1 275.355 3.897 20 0 CHADMN Cc1ccc([C@H](NCc2cn(C)cn2)C2CCCC2)cc1 ZINC000903352060 1130165130 /nfs/dbraw/zinc/16/51/30/1130165130.db2.gz QLYQEAZXAGKFBO-GOSISDBHSA-N 0 1 283.419 3.750 20 0 CHADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCCCCF ZINC000803417825 1130167271 /nfs/dbraw/zinc/16/72/71/1130167271.db2.gz NDIQJZBBYCCCEG-UHFFFAOYSA-N 0 1 290.338 3.600 20 0 CHADMN C[C@H](NCC[C@H](O)C1CC1)c1cc(Cl)sc1Cl ZINC000903405727 1130170737 /nfs/dbraw/zinc/17/07/37/1130170737.db2.gz QTQCYQXJUAPIAK-XVKPBYJWSA-N 0 1 294.247 3.867 20 0 CHADMN Cc1cncc([C@H](C)N[C@@H](C)c2cnn(CC3CCC3)c2)c1 ZINC000903403641 1130171213 /nfs/dbraw/zinc/17/12/13/1130171213.db2.gz FDLFOTCRPSHMGR-GJZGRUSLSA-N 0 1 298.434 3.798 20 0 CHADMN CCOCCOC1CN(CC2CCC(C(C)(C)C)CC2)C1 ZINC001462014048 1130179354 /nfs/dbraw/zinc/17/93/54/1130179354.db2.gz NAUJAACQIXWHLP-UHFFFAOYSA-N 0 1 297.483 3.576 20 0 CHADMN CCCCNC(=O)c1ccc(-c2ccc3cncn3c2)cc1 ZINC001239985752 1130182439 /nfs/dbraw/zinc/18/24/39/1130182439.db2.gz LNUOLQOWNCSRDK-UHFFFAOYSA-N 0 1 293.370 3.531 20 0 CHADMN CC(C)Cc1ccccc1C[N@H+](CCC(=O)[O-])CC(C)C ZINC000903596852 1130183535 /nfs/dbraw/zinc/18/35/35/1130183535.db2.gz UOBWAUVIEJRCSN-UHFFFAOYSA-N 0 1 291.435 3.818 20 0 CHADMN CCc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000903602583 1130184538 /nfs/dbraw/zinc/18/45/38/1130184538.db2.gz JUSMCVKQBHZSCY-XJKSGUPXSA-N 0 1 297.398 3.697 20 0 CHADMN CC[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1ccccc1Cl ZINC000903696126 1130190363 /nfs/dbraw/zinc/19/03/63/1130190363.db2.gz BOYGMBRDOVCRNG-UHFFFAOYSA-N 0 1 295.810 3.807 20 0 CHADMN CN(C)Cc1ccc(NCc2cc3ccccc3[nH]2)cc1F ZINC000788524136 1130192922 /nfs/dbraw/zinc/19/29/22/1130192922.db2.gz OESKIXWMIKAFNZ-UHFFFAOYSA-N 0 1 297.377 3.981 20 0 CHADMN CSCCCCc1noc([C@@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000903786043 1130198311 /nfs/dbraw/zinc/19/83/11/1130198311.db2.gz UVYHHSQCCJBULV-FRRDWIJNSA-N 0 1 297.468 3.689 20 0 CHADMN COc1ccc(-c2cccn3cncc23)cc1Cl ZINC001240032773 1130200974 /nfs/dbraw/zinc/20/09/74/1130200974.db2.gz ZFJRVOXJDAYIHU-UHFFFAOYSA-N 0 1 258.708 3.663 20 0 CHADMN Cc1ccccc1C[N@H+](C)[C@@H](CCc1ccccc1)C(=O)[O-] ZINC000903885511 1130207707 /nfs/dbraw/zinc/20/77/07/1130207707.db2.gz PAHCJKYCXQAGOT-SFHVURJKSA-N 0 1 297.398 3.513 20 0 CHADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1CC1CCC2(CC2)CC1 ZINC000903912009 1130209640 /nfs/dbraw/zinc/20/96/40/1130209640.db2.gz VNJZBMVQPYMTBZ-AGGWBTHJSA-N 0 1 279.424 3.530 20 0 CHADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)[C@H]2CCC[C@@H]21 ZINC000903911436 1130209650 /nfs/dbraw/zinc/20/96/50/1130209650.db2.gz GMXKOFXCVLJGLB-OAGGEKHMSA-N 0 1 291.435 3.532 20 0 CHADMN CCCCNC(=O)c1cccc(-c2nccc3[nH]ccc32)c1 ZINC001240084720 1130209768 /nfs/dbraw/zinc/20/97/68/1130209768.db2.gz LTYVKIVNRNMJFT-UHFFFAOYSA-N 0 1 293.370 3.760 20 0 CHADMN C[C@H]([N@@H+](C)Cc1ccc(C(=O)[O-])c2cccnc12)C1(C)CC1 ZINC000903899298 1130210130 /nfs/dbraw/zinc/21/01/30/1130210130.db2.gz XDZGEOVDOVSARW-LBPRGKRZSA-N 0 1 298.386 3.553 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CC3CCC1CC3)CC2 ZINC000903901808 1130210400 /nfs/dbraw/zinc/21/04/00/1130210400.db2.gz QQGRSJDDDWJVAE-KVULBXGLSA-N 0 1 299.414 3.569 20 0 CHADMN O=C([O-])c1ccc2c(c1)CC[N@H+](C[C@@H]1CC3CCC1CC3)C2 ZINC000903914263 1130210844 /nfs/dbraw/zinc/21/08/44/1130210844.db2.gz VKAILHJUMABCSG-JRSKDTKFSA-N 0 1 299.414 3.569 20 0 CHADMN C[C@H](C[N@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]1C)c1ccccc1 ZINC000903951293 1130211295 /nfs/dbraw/zinc/21/12/95/1130211295.db2.gz TWNTZGOUFQVSRR-SOXILONMSA-N 0 1 289.419 3.610 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](C/C=C/c2ccccc2)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903950507 1130211949 /nfs/dbraw/zinc/21/19/49/1130211949.db2.gz QCKIVZDESBEZHQ-XGHSLBKNSA-N 0 1 287.403 3.519 20 0 CHADMN C[C@@H]1C[C@H](C)[N@@H+](CCC(C)(C)C2CC2)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903952703 1130213436 /nfs/dbraw/zinc/21/34/36/1130213436.db2.gz LMYGPJBCCCMQKK-UKTARXLSSA-N 0 1 281.440 3.632 20 0 CHADMN CC(C)C[C@@H]1CCCN1Cc1cccc(Br)n1 ZINC000396786489 1130216135 /nfs/dbraw/zinc/21/61/35/1130216135.db2.gz RZFUKZLDPFAMKS-ZDUSSCGKSA-N 0 1 297.240 3.855 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1cccc(-n2cccn2)c1 ZINC001240247962 1130245669 /nfs/dbraw/zinc/24/56/69/1130245669.db2.gz NZEMWPLKQPBDCH-UHFFFAOYSA-N 0 1 274.327 3.724 20 0 CHADMN CC1(C)CN(C[C@@H](O)c2cccc(F)c2)[C@@H]1c1ccccc1 ZINC000748832351 1130251977 /nfs/dbraw/zinc/25/19/77/1130251977.db2.gz GQFPHBAXXZGYCK-QZTJIDSGSA-N 0 1 299.389 3.942 20 0 CHADMN Cn1cc(-c2ccc3c(c2)CN(Cc2ccccc2)C3)cn1 ZINC001240297220 1130258196 /nfs/dbraw/zinc/25/81/96/1130258196.db2.gz PYCOVSSDQQQFMS-UHFFFAOYSA-N 0 1 289.382 3.603 20 0 CHADMN Brc1cscc1CN1CC2CCC1CC2 ZINC001139349608 1130261787 /nfs/dbraw/zinc/26/17/87/1130261787.db2.gz AKTOJAAHHLEJRH-UHFFFAOYSA-N 0 1 286.238 3.885 20 0 CHADMN C[C@@H](c1ccc(Cl)cc1Cl)N1CCc2cn[nH]c2C1 ZINC000676792263 1130271816 /nfs/dbraw/zinc/27/18/16/1130271816.db2.gz GJYSQGOZFWPAGW-VIFPVBQESA-N 0 1 296.201 3.836 20 0 CHADMN Cc1c(CN2CCC[C@@H]2c2ccccc2)nc2ccccn12 ZINC001137272051 1130277393 /nfs/dbraw/zinc/27/73/93/1130277393.db2.gz GBFSXDGGLSLUHM-GOSISDBHSA-N 0 1 291.398 3.980 20 0 CHADMN Cc1cccc(-c2noc(CN3CCC[C@H](C4CC4)C3)n2)c1 ZINC000677018566 1130282541 /nfs/dbraw/zinc/28/25/41/1130282541.db2.gz IQXOZKAFOUMOKH-INIZCTEOSA-N 0 1 297.402 3.667 20 0 CHADMN Fc1ccccc1-n1ccc(CN2CCC[C@@H](C3CC3)C2)n1 ZINC000677056838 1130285573 /nfs/dbraw/zinc/28/55/73/1130285573.db2.gz FXKGYGHPWVUXKV-OAHLLOKOSA-N 0 1 299.393 3.633 20 0 CHADMN COc1ccc(C2=CCCN(Cc3ccccc3)C2)nc1F ZINC001240388263 1130287060 /nfs/dbraw/zinc/28/70/60/1130287060.db2.gz GBHGTSRSNFDXRV-UHFFFAOYSA-N 0 1 298.361 3.519 20 0 CHADMN c1cc2cc(-c3cc(N4CCCCC4)ccn3)cnc2[nH]1 ZINC001240391515 1130288383 /nfs/dbraw/zinc/28/83/83/1130288383.db2.gz WBASCIYGXRSMSH-UHFFFAOYSA-N 0 1 278.359 3.567 20 0 CHADMN Cc1csc(CN2CC[C@@H]3CCCO[C@H]3C2)c1Cl ZINC001137287249 1130291429 /nfs/dbraw/zinc/29/14/29/1130291429.db2.gz DNHYLKKZPDGMOF-RYUDHWBXSA-N 0 1 285.840 3.711 20 0 CHADMN CC(C)CCn1cc(-c2cccc(CN(C)C)c2F)cn1 ZINC001240422578 1130303636 /nfs/dbraw/zinc/30/36/36/1130303636.db2.gz ZZNHSZYIVOEFGJ-UHFFFAOYSA-N 0 1 289.398 3.797 20 0 CHADMN Cc1csc(CN2CCC(CF)CC2)c1Cl ZINC001137291243 1130306354 /nfs/dbraw/zinc/30/63/54/1130306354.db2.gz KWPVBRQAEVVHDD-UHFFFAOYSA-N 0 1 261.793 3.891 20 0 CHADMN CC(C)(C)OC(=O)c1ccc(-c2ccc3[nH]nnc3c2)cc1 ZINC001240441193 1130313536 /nfs/dbraw/zinc/31/35/36/1130313536.db2.gz QYFHUJYTXXIQAM-UHFFFAOYSA-N 0 1 295.342 3.580 20 0 CHADMN CC(C)(C)OC(=O)c1ccc(-c2ccc3nn[nH]c3c2)cc1 ZINC001240441193 1130313540 /nfs/dbraw/zinc/31/35/40/1130313540.db2.gz QYFHUJYTXXIQAM-UHFFFAOYSA-N 0 1 295.342 3.580 20 0 CHADMN Cc1nn(C)c2ccc(-c3cc4nc[nH]c4c(C)c3)cc12 ZINC001240457319 1130318824 /nfs/dbraw/zinc/31/88/24/1130318824.db2.gz UUAONSZFLAYKPA-UHFFFAOYSA-N 0 1 276.343 3.733 20 0 CHADMN Cc1nn(C)c2ccc(-c3cc4nc[nH]c4cc3F)cc12 ZINC001240469062 1130321921 /nfs/dbraw/zinc/32/19/21/1130321921.db2.gz PLANCYNYSZOFCI-UHFFFAOYSA-N 0 1 280.306 3.564 20 0 CHADMN Fc1ccc2c(c1)[C@H](N1CC[C@H](C(F)(F)F)C1)CC2 ZINC000677714201 1130323017 /nfs/dbraw/zinc/32/30/17/1130323017.db2.gz RVXQFXWVEBHUHC-GXFFZTMASA-N 0 1 273.273 3.697 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1CCC2(CC2)CC1 ZINC000677719177 1130323421 /nfs/dbraw/zinc/32/34/21/1130323421.db2.gz QYHWXMKMBGNREU-LLVKDONJSA-N 0 1 289.404 3.735 20 0 CHADMN Cc1cnc(C(C)(C)NCCOc2ccc(C)cc2)s1 ZINC000754693356 1130324506 /nfs/dbraw/zinc/32/45/06/1130324506.db2.gz RJALNNFQXOUTNW-UHFFFAOYSA-N 0 1 290.432 3.664 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CC[C@@H](C(F)F)C1 ZINC000677731225 1130324576 /nfs/dbraw/zinc/32/45/76/1130324576.db2.gz FWKBOWDXCIBGIW-PSASIEDQSA-N 0 1 261.262 3.613 20 0 CHADMN Cc1cc2cc(-c3cc4[nH]cnc4cc3C)cnc2[nH]1 ZINC001240482063 1130324651 /nfs/dbraw/zinc/32/46/51/1130324651.db2.gz NYYLPIWYZBTHOQ-UHFFFAOYSA-N 0 1 262.316 3.723 20 0 CHADMN CCCCN(CCOC)Cc1cscc1Cl ZINC000678259542 1130380832 /nfs/dbraw/zinc/38/08/32/1130380832.db2.gz BYEAJJSABAHVCM-UHFFFAOYSA-N 0 1 261.818 3.650 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccc(F)c(F)c2)s1 ZINC000677753694 1130328368 /nfs/dbraw/zinc/32/83/68/1130328368.db2.gz OHCNVOOYRFBZNC-QMMMGPOBSA-N 0 1 268.332 3.581 20 0 CHADMN Cc1ccc2ncc(CN(C)Cc3ccc(C)c(C)c3)n2c1 ZINC001137310633 1130328680 /nfs/dbraw/zinc/32/86/80/1130328680.db2.gz IVBUBVXEALDPEP-UHFFFAOYSA-N 0 1 293.414 3.892 20 0 CHADMN CC(C)c1nc([C@H](C)NC(=O)C[C@@H](C)CC(C)(C)C)n[nH]1 ZINC000677841494 1130333747 /nfs/dbraw/zinc/33/37/47/1130333747.db2.gz BVCQOTVIWSQZJM-NEPJUHHUSA-N 0 1 294.443 3.568 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)NCCC1CCCCC1 ZINC000677861641 1130335239 /nfs/dbraw/zinc/33/52/39/1130335239.db2.gz JCJGSZFBSLXCFL-UHFFFAOYSA-N 0 1 277.412 3.542 20 0 CHADMN C[C@H]1CC[C@H](N(Cc2cccnc2)Cc2cccnc2)C1 ZINC001170144937 1130335837 /nfs/dbraw/zinc/33/58/37/1130335837.db2.gz QLCAPYOFIRFXMI-YJBOKZPZSA-N 0 1 281.403 3.667 20 0 CHADMN CC[C@H](C(=O)Nc1ccc(C(C)(C)CC)cc1)N(C)C ZINC000791115218 1130351638 /nfs/dbraw/zinc/35/16/38/1130351638.db2.gz SWZWUTBZOKFWHM-OAHLLOKOSA-N 0 1 276.424 3.653 20 0 CHADMN C[C@@H]1c2cccn2CCN1Cc1ccccc1C1CC1 ZINC000678121638 1130352103 /nfs/dbraw/zinc/35/21/03/1130352103.db2.gz YKHSDSWBLXKLOY-CQSZACIVSA-N 0 1 266.388 3.942 20 0 CHADMN CCOc1ccc(C[N@@H+](C)Cc2[nH]nc3ccccc32)cc1 ZINC000678121437 1130352393 /nfs/dbraw/zinc/35/23/93/1130352393.db2.gz LFNLGTPEGQYUFW-UHFFFAOYSA-N 0 1 295.386 3.594 20 0 CHADMN CN(Cc1ccsc1)Cc1ccnc2ccccc12 ZINC000678126221 1130353536 /nfs/dbraw/zinc/35/35/36/1130353536.db2.gz JMTDDSMQELICIM-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1n[nH]c2ccccc21 ZINC000678128083 1130355737 /nfs/dbraw/zinc/35/57/37/1130355737.db2.gz LEMVNUFIVYNBFA-LBPRGKRZSA-N 0 1 283.350 3.895 20 0 CHADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1[nH]nc2ccccc21 ZINC000678128083 1130355743 /nfs/dbraw/zinc/35/57/43/1130355743.db2.gz LEMVNUFIVYNBFA-LBPRGKRZSA-N 0 1 283.350 3.895 20 0 CHADMN Fc1cccc(CN(Cc2[nH]nc3ccccc32)C2CC2)c1 ZINC000678135953 1130356428 /nfs/dbraw/zinc/35/64/28/1130356428.db2.gz LHWWNVBAOYAEBD-UHFFFAOYSA-N 0 1 295.361 3.867 20 0 CHADMN C[C@@H](OC(=O)c1c(F)cc(O)cc1F)c1ccc(F)cc1 ZINC000746988620 1130357927 /nfs/dbraw/zinc/35/79/27/1130357927.db2.gz YVXORFSIENYPTB-MRVPVSSYSA-N 0 1 296.244 3.728 20 0 CHADMN Cn1nc(CN2CCC[C@H]2c2ccsc2)c2ccccc21 ZINC000678140574 1130360165 /nfs/dbraw/zinc/36/01/65/1130360165.db2.gz OPUMPWJGWDEEAI-INIZCTEOSA-N 0 1 297.427 3.972 20 0 CHADMN CCCCN(Cc1c[nH]nc1C)[C@@H](C)c1ccc(C)o1 ZINC000678162530 1130363213 /nfs/dbraw/zinc/36/32/13/1130363213.db2.gz FHZNJRUCLKXDSS-AWEZNQCLSA-N 0 1 275.396 3.983 20 0 CHADMN CC(C)c1ccc(OC2CCN(Cc3cn[nH]c3)CC2)cc1 ZINC000678191228 1130367861 /nfs/dbraw/zinc/36/78/61/1130367861.db2.gz ULYOQDUWQWDKCN-UHFFFAOYSA-N 0 1 299.418 3.577 20 0 CHADMN Cc1ncc(CN(C)Cc2ccccc2C2CC2)s1 ZINC000678192324 1130369207 /nfs/dbraw/zinc/36/92/07/1130369207.db2.gz AMSAPVAWRVILDQ-UHFFFAOYSA-N 0 1 272.417 3.961 20 0 CHADMN CCOc1cccc(CN2CCC[C@@H]2c2ccc(O)cc2)n1 ZINC000678212366 1130370738 /nfs/dbraw/zinc/37/07/38/1130370738.db2.gz BRVIOBVTAUEUER-QGZVFWFLSA-N 0 1 298.386 3.523 20 0 CHADMN CC1(C)CN(Cc2cccc(O)c2)[C@@H]1c1ccccc1 ZINC000678213931 1130371894 /nfs/dbraw/zinc/37/18/94/1130371894.db2.gz JPGLAYSFOVSPED-QGZVFWFLSA-N 0 1 267.372 3.975 20 0 CHADMN Cn1cccc1CN1CC(C)(C)[C@@H]1c1ccccc1 ZINC000678214537 1130372521 /nfs/dbraw/zinc/37/25/21/1130372521.db2.gz ZLZUOQILVGRMJB-INIZCTEOSA-N 0 1 254.377 3.608 20 0 CHADMN Fc1cc2[nH]cnc2cc1-c1ccc(N2CCCCC2)nc1 ZINC001240586352 1130373123 /nfs/dbraw/zinc/37/31/23/1130373123.db2.gz NFPRJMAFOKYQML-UHFFFAOYSA-N 0 1 296.349 3.754 20 0 CHADMN c1cc2cnc(-c3ccc(N4CCCC4)cc3)cc2[nH]1 ZINC001240587197 1130373770 /nfs/dbraw/zinc/37/37/70/1130373770.db2.gz KOTJYZILZXSFAY-UHFFFAOYSA-N 0 1 263.344 3.830 20 0 CHADMN CCN(CCC(F)(F)F)Cc1cnc(-c2ccccc2)[nH]1 ZINC000678222088 1130374411 /nfs/dbraw/zinc/37/44/11/1130374411.db2.gz ININEJQWEOULSF-UHFFFAOYSA-N 0 1 297.324 3.851 20 0 CHADMN CCN(C/C=C\c1ccc(F)cc1)Cc1ccoc1 ZINC000678234009 1130376007 /nfs/dbraw/zinc/37/60/07/1130376007.db2.gz NJSGYUKTDRUSLJ-ARJAWSKDSA-N 0 1 259.324 3.954 20 0 CHADMN Fc1cc(CN2CC[C@@H](c3ccco3)C2)cc(F)c1F ZINC000678262492 1130381218 /nfs/dbraw/zinc/38/12/18/1130381218.db2.gz RULUORBWHBVQDP-LLVKDONJSA-N 0 1 281.277 3.686 20 0 CHADMN CC[C@@H]1c2ccccc2CCN1Cc1ccc(COC)o1 ZINC000678266438 1130384058 /nfs/dbraw/zinc/38/40/58/1130384058.db2.gz GVVJGAJPHDUMFH-GOSISDBHSA-N 0 1 285.387 3.935 20 0 CHADMN CC1(c2ccc(Cl)cc2)CCN(CCF)CC1 ZINC000791549579 1130384364 /nfs/dbraw/zinc/38/43/64/1130384364.db2.gz NIPMVLMDJXVQLP-UHFFFAOYSA-N 0 1 255.764 3.663 20 0 CHADMN C[C@@H]1C[C@@H](C)N1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000791566567 1130386055 /nfs/dbraw/zinc/38/60/55/1130386055.db2.gz OUZZMJLNTBTHCJ-JRKPZEMJSA-N 0 1 274.191 3.510 20 0 CHADMN Fc1ccc(-n2cc(CN3C4CCCC3CCC4)cn2)cc1 ZINC000678278683 1130388375 /nfs/dbraw/zinc/38/83/75/1130388375.db2.gz FCDCQHDDAVFVJY-UHFFFAOYSA-N 0 1 299.393 3.918 20 0 CHADMN C[C@H]1CC[C@@H](n2cncc2CNCc2ccccc2)C1 ZINC001170159043 1130393517 /nfs/dbraw/zinc/39/35/17/1130393517.db2.gz QVMFUMUQDJCZPH-GOEBONIOSA-N 0 1 269.392 3.534 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2[nH]nc3ccccc32)[C@@H]1c1ccccc1 ZINC000678295944 1130393689 /nfs/dbraw/zinc/39/36/89/1130393689.db2.gz ROGUWTVJMVHAQP-ACJLOTCBSA-N 0 1 277.371 3.756 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2n[nH]c3ccccc32)[C@@H]1c1ccccc1 ZINC000678295944 1130393700 /nfs/dbraw/zinc/39/37/00/1130393700.db2.gz ROGUWTVJMVHAQP-ACJLOTCBSA-N 0 1 277.371 3.756 20 0 CHADMN C[C@@H]1CN(Cc2[nH]nc3ccccc32)[C@@H]1c1ccccc1 ZINC000678295944 1130393705 /nfs/dbraw/zinc/39/37/05/1130393705.db2.gz ROGUWTVJMVHAQP-ACJLOTCBSA-N 0 1 277.371 3.756 20 0 CHADMN Cc1cc(O)ccc1-c1cc(N2CCCCC2)ccn1 ZINC001240642685 1130394203 /nfs/dbraw/zinc/39/42/03/1130394203.db2.gz XWSPHJOVGPOFSM-UHFFFAOYSA-N 0 1 268.360 3.753 20 0 CHADMN C[C@H]1C[N@@H+](Cc2c[nH]c3ccc(F)cc23)CCC1(F)F ZINC001137335412 1130401279 /nfs/dbraw/zinc/40/12/79/1130401279.db2.gz RCSRDPPTKHMCDM-JTQLQIEISA-N 0 1 282.309 3.784 20 0 CHADMN C[C@H]1CN(Cc2c[nH]c3ccc(F)cc23)CCC1(F)F ZINC001137335412 1130401282 /nfs/dbraw/zinc/40/12/82/1130401282.db2.gz RCSRDPPTKHMCDM-JTQLQIEISA-N 0 1 282.309 3.784 20 0 CHADMN Cc1ccc(F)c(CN[C@H](C)c2cnccc2C)c1 ZINC000678362151 1130408418 /nfs/dbraw/zinc/40/84/18/1130408418.db2.gz SGRTWZSTFFNPTH-CYBMUJFWSA-N 0 1 258.340 3.688 20 0 CHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccccn2)c(C)n1 ZINC000678411542 1130412553 /nfs/dbraw/zinc/41/25/53/1130412553.db2.gz FGDYTQOKGBAQRJ-ZIAGYGMSSA-N 0 1 255.365 3.505 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H](C)c2cnccc2C)o1 ZINC000678425554 1130415454 /nfs/dbraw/zinc/41/54/54/1130415454.db2.gz BBRWVALORDMBFH-CHWSQXEVSA-N 0 1 258.365 3.957 20 0 CHADMN Cc1nc([C@@H]2CCCCN2C[C@@H]2CCC[C@@H](C)C2)no1 ZINC000678461805 1130419708 /nfs/dbraw/zinc/41/97/08/1130419708.db2.gz PNSHNUJIQSCYLM-YUELXQCFSA-N 0 1 277.412 3.731 20 0 CHADMN CC(C)(NCc1nc2c(s1)CCC2)c1ccccc1 ZINC000678499736 1130423607 /nfs/dbraw/zinc/42/36/07/1130423607.db2.gz ORTATOLKNDMTGQ-UHFFFAOYSA-N 0 1 272.417 3.657 20 0 CHADMN Cc1cnc(CN2CCC(C3CCCC3)CC2)s1 ZINC000678520209 1130425152 /nfs/dbraw/zinc/42/51/52/1130425152.db2.gz OIBBRZKEVLVWLW-UHFFFAOYSA-N 0 1 264.438 3.854 20 0 CHADMN O=C(Nc1ccc(C2CC2)cc1)c1cccc2nc[nH]c21 ZINC000678572528 1130431121 /nfs/dbraw/zinc/43/11/21/1130431121.db2.gz CQMJBGJPGOCHEE-UHFFFAOYSA-N 0 1 277.327 3.693 20 0 CHADMN COC[C@H](N[C@H](C)c1ccc(C)nc1C)c1ccccc1 ZINC000678589391 1130432958 /nfs/dbraw/zinc/43/29/58/1130432958.db2.gz XACHSTHIKXMJGQ-QAPCUYQASA-N 0 1 284.403 3.737 20 0 CHADMN CSc1cc(C)ccc1-c1ccc(CN(C)C)cn1 ZINC001243384093 1130439558 /nfs/dbraw/zinc/43/95/58/1130439558.db2.gz YSNYKRCYFHRDGC-UHFFFAOYSA-N 0 1 272.417 3.841 20 0 CHADMN CCc1ccc([C@H](CC)NCc2cc(C)ncn2)cc1 ZINC000678604523 1130439619 /nfs/dbraw/zinc/43/96/19/1130439619.db2.gz IBDKZUNJTMIRIO-KRWDZBQOSA-N 0 1 269.392 3.588 20 0 CHADMN CCCC[C@H](NCc1cc(C)ncn1)c1ccccc1 ZINC000678604410 1130440002 /nfs/dbraw/zinc/44/00/02/1130440002.db2.gz DLBMRCOPACKSMS-KRWDZBQOSA-N 0 1 269.392 3.806 20 0 CHADMN C[C@H](c1ccncc1)N1CC(c2nc3ccccc3s2)C1 ZINC000678629048 1130443890 /nfs/dbraw/zinc/44/38/90/1130443890.db2.gz CTSLZVWMNHCKMY-GFCCVEGCSA-N 0 1 295.411 3.852 20 0 CHADMN Cc1ccc(CN(C)Cc2c[nH]c3ccc(F)cc23)cn1 ZINC001137343042 1130444963 /nfs/dbraw/zinc/44/49/63/1130444963.db2.gz YDVYCEQCOBECGO-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN c1ccc2c(c1)n[nH]c2CN1CCCC[C@H]1c1cccnc1 ZINC001137348928 1130449987 /nfs/dbraw/zinc/44/99/87/1130449987.db2.gz XWIQNSUQPPUPEK-SFHVURJKSA-N 0 1 292.386 3.685 20 0 CHADMN COCOc1cc(C)ccc1-c1cccc2nc[nH]c21 ZINC001240747534 1130452659 /nfs/dbraw/zinc/45/26/59/1130452659.db2.gz LIRCLCVCPGNMEB-UHFFFAOYSA-N 0 1 268.316 3.521 20 0 CHADMN CN(Cc1[nH]nc2ccccc21)[C@@H](C1CCC1)C(F)(F)F ZINC001137351035 1130456720 /nfs/dbraw/zinc/45/67/20/1130456720.db2.gz MJYCBUSMGARZFP-AWEZNQCLSA-N 0 1 297.324 3.726 20 0 CHADMN CCc1nn(C)cc1CN(Cc1ccc(CC)cc1)C1CC1 ZINC000678813901 1130460213 /nfs/dbraw/zinc/46/02/13/1130460213.db2.gz QFIGIFZMSLELPI-UHFFFAOYSA-N 0 1 297.446 3.710 20 0 CHADMN c1nc2ccc(-c3ccc4c(c3)CCCO4)cc2[nH]1 ZINC001240773260 1130465253 /nfs/dbraw/zinc/46/52/53/1130465253.db2.gz LRTPIPRBFDNBHQ-UHFFFAOYSA-N 0 1 250.301 3.555 20 0 CHADMN Cc1cc2nc[nH]c2cc1-c1ccc2c(c1)CCCO2 ZINC001240772868 1130465693 /nfs/dbraw/zinc/46/56/93/1130465693.db2.gz GDVCIIFIOBCHNF-UHFFFAOYSA-N 0 1 264.328 3.863 20 0 CHADMN CN(C)Cc1cccc(-c2ccc3c(c2)CCCO3)c1F ZINC001240776223 1130467489 /nfs/dbraw/zinc/46/74/89/1130467489.db2.gz XCHDOYDYKHNCLP-UHFFFAOYSA-N 0 1 285.362 3.879 20 0 CHADMN CC[C@@H](NCc1noc(C(C)(C)C)n1)C1CCCCC1 ZINC000678895715 1130468303 /nfs/dbraw/zinc/46/83/03/1130468303.db2.gz SWMRXSFRFAENRW-CYBMUJFWSA-N 0 1 279.428 3.816 20 0 CHADMN CC[C@H](NCc1nc(C(C)C)no1)C1CCCCC1 ZINC000678897023 1130469510 /nfs/dbraw/zinc/46/95/10/1130469510.db2.gz RJIUPCYDKHZNCB-ZDUSSCGKSA-N 0 1 265.401 3.642 20 0 CHADMN COc1cccc2c1OCC[C@H]2NCc1ccc(C)c(C)c1 ZINC000678929353 1130473465 /nfs/dbraw/zinc/47/34/65/1130473465.db2.gz GHDARKFEVMOYGH-QGZVFWFLSA-N 0 1 297.398 3.925 20 0 CHADMN C[C@H]1CCCN(Cc2nc3c(s2)CCCC3)[C@H]1C ZINC000678977155 1130479330 /nfs/dbraw/zinc/47/93/30/1130479330.db2.gz NVQBGRLUFHIXQY-RYUDHWBXSA-N 0 1 264.438 3.642 20 0 CHADMN Cc1noc(C)c1[C@H](C)N[C@@H]1CCCOc2ccccc21 ZINC000678997182 1130481512 /nfs/dbraw/zinc/48/15/12/1130481512.db2.gz VMNWPULWDCXGNT-XHDPSFHLSA-N 0 1 286.375 3.856 20 0 CHADMN Cc1ncc([C@@H](C)NC2(c3ccc(F)cc3)CCC2)c(C)n1 ZINC000679013280 1130484034 /nfs/dbraw/zinc/48/40/34/1130484034.db2.gz FATBFXQWBLICLU-CYBMUJFWSA-N 0 1 299.393 3.963 20 0 CHADMN C[C@H](NC1CC(c2ccccc2F)C1)c1cscn1 ZINC000679032591 1130486167 /nfs/dbraw/zinc/48/61/67/1130486167.db2.gz PIPDXZMCAIWGEM-UNXYVOJBSA-N 0 1 276.380 3.879 20 0 CHADMN C[C@H](N[C@H](CC1CC1)c1ccccc1)c1cnccn1 ZINC000679046363 1130486260 /nfs/dbraw/zinc/48/62/60/1130486260.db2.gz CSDGXFHFTJDZCR-XJKSGUPXSA-N 0 1 267.376 3.669 20 0 CHADMN COc1ccc(C(F)(F)F)cc1-c1cc2[nH]cnc2cn1 ZINC001240824119 1130486412 /nfs/dbraw/zinc/48/64/12/1130486412.db2.gz WNIPYWPPUDZGLH-UHFFFAOYSA-N 0 1 293.248 3.652 20 0 CHADMN Cc1ncc([C@H](C)NC(C)(C)c2cccc(F)c2)c(C)n1 ZINC000679047018 1130487235 /nfs/dbraw/zinc/48/72/35/1130487235.db2.gz MVQRVZINQUDCQO-LBPRGKRZSA-N 0 1 287.382 3.818 20 0 CHADMN C[C@@H](CCc1cccc(C(F)(F)F)c1)NCc1cocn1 ZINC000679049346 1130487311 /nfs/dbraw/zinc/48/73/11/1130487311.db2.gz NVVYKLQHNSJDHS-NSHDSACASA-N 0 1 298.308 3.804 20 0 CHADMN COCC1(N[C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000679074501 1130491391 /nfs/dbraw/zinc/49/13/91/1130491391.db2.gz SJKKJAVPRXZSLN-GFCCVEGCSA-N 0 1 286.202 3.749 20 0 CHADMN CC(C)[C@H]1CCCC[C@@H]1Nc1cnn(-c2ccncc2)c1 ZINC000679125142 1130495382 /nfs/dbraw/zinc/49/53/82/1130495382.db2.gz BFYXEJALMJHEJJ-SJORKVTESA-N 0 1 284.407 3.894 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@H]1Nc1cnn(-c2ccncc2)c1 ZINC000679128116 1130495535 /nfs/dbraw/zinc/49/55/35/1130495535.db2.gz SFYXYEJROJNROO-ACJLOTCBSA-N 0 1 290.370 3.613 20 0 CHADMN C[C@@H](Nc1cnn(-c2ccncc2)c1)c1ccc(F)cc1 ZINC000679127491 1130495616 /nfs/dbraw/zinc/49/56/16/1130495616.db2.gz NKDWJRMZGIHZJT-GFCCVEGCSA-N 0 1 282.322 3.580 20 0 CHADMN COc1ccc(-c2ccc3nc(C)[nH]c3c2)cc1C ZINC001240864087 1130496031 /nfs/dbraw/zinc/49/60/31/1130496031.db2.gz FEZCTAQXZRZQFH-UHFFFAOYSA-N 0 1 252.317 3.855 20 0 CHADMN COc1ccc(-c2nc(C(C)(C)C)nc3nc[nH]c32)cc1C ZINC001240863571 1130496143 /nfs/dbraw/zinc/49/61/43/1130496143.db2.gz LXIABFIOOZZVIP-UHFFFAOYSA-N 0 1 296.374 3.634 20 0 CHADMN CC[C@H](C(=O)Nc1ccc(-c2ccccc2)c(C)c1)N(C)C ZINC000792834154 1130500488 /nfs/dbraw/zinc/50/04/88/1130500488.db2.gz CYKRWKGKYDGXEM-GOSISDBHSA-N 0 1 296.414 3.941 20 0 CHADMN c1nc2cc[nH]c(-c3ccc(Oc4cccnc4)cc3)c-2n1 ZINC001240879120 1130500817 /nfs/dbraw/zinc/50/08/17/1130500817.db2.gz AECQPOJWLFMZBN-UHFFFAOYSA-N 0 1 288.310 3.812 20 0 CHADMN c1nc2c(ccnc2-c2ccc(Oc3cccnc3)cc2)[nH]1 ZINC001240879120 1130500820 /nfs/dbraw/zinc/50/08/20/1130500820.db2.gz AECQPOJWLFMZBN-UHFFFAOYSA-N 0 1 288.310 3.812 20 0 CHADMN C[C@@H]1CCN(c2ccnc3cc(F)ccc32)C[C@H]1F ZINC000679192086 1130501436 /nfs/dbraw/zinc/50/14/36/1130501436.db2.gz KBLIBRNOBFFIJM-ZWNOBZJWSA-N 0 1 262.303 3.558 20 0 CHADMN CCOc1cc(NCc2[nH]nc3ccccc32)ccc1OC ZINC000747099063 1130514501 /nfs/dbraw/zinc/51/45/01/1130514501.db2.gz KALJPOVKRXQSTE-UHFFFAOYSA-N 0 1 297.358 3.582 20 0 CHADMN CCOc1ccc(NCc2[nH]nc3ccccc32)c(C)c1 ZINC000747099118 1130514655 /nfs/dbraw/zinc/51/46/55/1130514655.db2.gz QTCPTBZLQYOMTC-UHFFFAOYSA-N 0 1 281.359 3.882 20 0 CHADMN Cc1[nH]ncc1[C@@H](C)Nc1ccc2oc(C3CC3)nc2c1 ZINC000679359370 1130520628 /nfs/dbraw/zinc/52/06/28/1130520628.db2.gz CDQYRLMYGKRFIW-SECBINFHSA-N 0 1 282.347 3.910 20 0 CHADMN C[C@@H](N[C@H](CCc1ccccc1)C(F)F)C1CCOCC1 ZINC000679395022 1130527134 /nfs/dbraw/zinc/52/71/34/1130527134.db2.gz VOUVVMKLVBUFJS-CZUORRHYSA-N 0 1 297.389 3.658 20 0 CHADMN Cc1cc(CN2CCC[C@@H](CCF)C2)cnc1Cl ZINC000827270992 1130534526 /nfs/dbraw/zinc/53/45/26/1130534526.db2.gz IFPQJXWCIMZNMX-LBPRGKRZSA-N 0 1 270.779 3.615 20 0 CHADMN Cc1nc(CCN2C[C@@H](C(F)(F)F)CC[C@H]2C)cs1 ZINC000679540699 1130536671 /nfs/dbraw/zinc/53/66/71/1130536671.db2.gz ODWYPZQWDUFYHH-KOLCDFICSA-N 0 1 292.370 3.657 20 0 CHADMN CN(Cc1ncc(C2CC2)o1)C[C@H]1CCc2ccccc21 ZINC000679536261 1130536980 /nfs/dbraw/zinc/53/69/80/1130536980.db2.gz OBJNCGMERGWDKK-OAHLLOKOSA-N 0 1 282.387 3.714 20 0 CHADMN Cc1ccncc1CN(C)Cc1cncc2ccccc21 ZINC000793340507 1130540706 /nfs/dbraw/zinc/54/07/06/1130540706.db2.gz PIBTUWAFVNUHKW-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN C[C@H]1CN(Cc2[nH]nc3ccccc32)c2ccccc21 ZINC000679582058 1130542520 /nfs/dbraw/zinc/54/25/20/1130542520.db2.gz FACISGMTIASIIG-LBPRGKRZSA-N 0 1 263.344 3.687 20 0 CHADMN COc1ccsc1CN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679584091 1130544367 /nfs/dbraw/zinc/54/43/67/1130544367.db2.gz KNOSLRIGXYRPLY-VHSXEESVSA-N 0 1 293.354 3.920 20 0 CHADMN Cc1ncsc1CN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679584611 1130544406 /nfs/dbraw/zinc/54/44/06/1130544406.db2.gz VMSCOTFCYNNOAF-WCBMZHEXSA-N 0 1 278.343 3.614 20 0 CHADMN Cc1nc2ccc(CN3CCC(F)(F)CC3)cc2s1 ZINC000793361071 1130544959 /nfs/dbraw/zinc/54/49/59/1130544959.db2.gz CODLZCQUSNEQFY-UHFFFAOYSA-N 0 1 282.359 3.836 20 0 CHADMN Cc1ccc(Br)c(CN2CCC[C@@H]3C[C@@H]32)c1 ZINC001137386097 1130552799 /nfs/dbraw/zinc/55/27/99/1130552799.db2.gz PFZAOKVLXJLPEU-RISCZKNCSA-N 0 1 280.209 3.742 20 0 CHADMN CC(=O)Nc1ccc([C@@H](C)NCc2ccc(Cl)o2)cc1 ZINC000679768794 1130556107 /nfs/dbraw/zinc/55/61/07/1130556107.db2.gz FMRJLLAGGQRADW-SNVBAGLBSA-N 0 1 292.766 3.742 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc(C(F)(F)F)cc2)n(C)n1 ZINC000793513440 1130561214 /nfs/dbraw/zinc/56/12/14/1130561214.db2.gz BPQWUJRZSVTDLQ-LLVKDONJSA-N 0 1 297.324 3.598 20 0 CHADMN Cc1cc([C@H](C)N[C@@H]2CCSc3ccccc32)n(C)n1 ZINC000793522194 1130561874 /nfs/dbraw/zinc/56/18/74/1130561874.db2.gz DWXOHCLZLUAUBG-GXTWGEPZSA-N 0 1 287.432 3.616 20 0 CHADMN C(=C\[C@H]1CCCCCN1Cc1cncnc1)\c1cccs1 ZINC000680003145 1130570778 /nfs/dbraw/zinc/57/07/78/1130570778.db2.gz TXUIGSRGYRPUEF-XITLMJRVSA-N 0 1 299.443 3.996 20 0 CHADMN O=C1CCN(Cc2c[nH]c3ccccc23)[C@@H]2CCCC[C@@H]12 ZINC001204041772 1130595571 /nfs/dbraw/zinc/59/55/71/1130595571.db2.gz ZCWQYXBBBLOLAM-NVXWUHKLSA-N 0 1 282.387 3.502 20 0 CHADMN CCN1CC[C@@H](Oc2cc(C)c(Cl)cc2Cl)C1 ZINC001234056929 1130603790 /nfs/dbraw/zinc/60/37/90/1130603790.db2.gz INKUTUCBOFZDOF-SNVBAGLBSA-N 0 1 274.191 3.775 20 0 CHADMN CC(C)CSCCNCc1ccnc(Cl)c1Cl ZINC000811485355 1130611711 /nfs/dbraw/zinc/61/17/11/1130611711.db2.gz GHUHYLBJOZOURA-UHFFFAOYSA-N 0 1 293.263 3.867 20 0 CHADMN Cc1[nH]ncc1CN1CCCSc2cc(C)ccc21 ZINC000811509316 1130618908 /nfs/dbraw/zinc/61/89/08/1130618908.db2.gz VMPSPBFAJBYTIJ-UHFFFAOYSA-N 0 1 273.405 3.529 20 0 CHADMN C[C@@H]1c2cc(F)cc(F)c2CCN1CCCCCCCO ZINC000758751267 1130624445 /nfs/dbraw/zinc/62/44/45/1130624445.db2.gz IUYWTMOMCAAQCJ-CYBMUJFWSA-N 0 1 297.389 3.827 20 0 CHADMN Cc1occc1CN(C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759044802 1130634152 /nfs/dbraw/zinc/63/41/52/1130634152.db2.gz QXCUOKSBUHBNEK-HNNXBMFYSA-N 0 1 297.757 3.546 20 0 CHADMN CCc1ccc(C[N@@H+](C)C[C@H](C)C(F)(F)F)cc1 ZINC000441154455 1130635820 /nfs/dbraw/zinc/63/58/20/1130635820.db2.gz JYYQHQQDEWOUJV-NSHDSACASA-N 0 1 259.315 3.879 20 0 CHADMN C[C@H]1CC[C@H](CC(=O)Nc2ccc(CN(C)C)c(F)c2)C1 ZINC000759238665 1130646499 /nfs/dbraw/zinc/64/64/99/1130646499.db2.gz JAUNJFHKAMAAEG-STQMWFEESA-N 0 1 292.398 3.652 20 0 CHADMN O[C@H](CN1CC2(CCC2)[C@@H]1C1CC1)c1cccc(Cl)c1 ZINC000811821414 1130650629 /nfs/dbraw/zinc/65/06/29/1130650629.db2.gz DYQVJKSODGROGA-CVEARBPZSA-N 0 1 291.822 3.638 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNC[C@H]2CC2(Cl)Cl)o1 ZINC000759646924 1130667274 /nfs/dbraw/zinc/66/72/74/1130667274.db2.gz RBHRXNRYGZVEIS-FXPVBKGRSA-N 0 1 274.191 3.686 20 0 CHADMN C/C=C(/C=C\C(=O)Nc1cccc(Cl)c1O)CC ZINC000759714096 1130671952 /nfs/dbraw/zinc/67/19/52/1130671952.db2.gz UHVWFUKLLCIOSZ-ODVCJYRKSA-N 0 1 265.740 3.897 20 0 CHADMN CCC/C=C\C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000759749315 1130672296 /nfs/dbraw/zinc/67/22/96/1130672296.db2.gz MSFFLOARJIMUKP-PLNGDYQASA-N 0 1 279.290 3.795 20 0 CHADMN CCCCCC[C@@H](CC)Oc1nc(F)nc2nc[nH]c21 ZINC001234689972 1130673295 /nfs/dbraw/zinc/67/32/95/1130673295.db2.gz LBOSAKLOXWJFBO-SNVBAGLBSA-N 0 1 280.347 3.620 20 0 CHADMN C[C@@H](COCc1ccccc1)NCc1nc2ccccc2o1 ZINC000638708499 1130675365 /nfs/dbraw/zinc/67/53/65/1130675365.db2.gz NEZZERCXTGBGEQ-AWEZNQCLSA-N 0 1 296.370 3.523 20 0 CHADMN CC/C(C)=C(/C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000780863785 1130693671 /nfs/dbraw/zinc/69/36/71/1130693671.db2.gz WLDYVRXBJQNSRS-KTKRTIGZSA-N 0 1 257.337 3.556 20 0 CHADMN CCCCC[C@@](C)(CC)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000780926972 1130696251 /nfs/dbraw/zinc/69/62/51/1130696251.db2.gz UPYHZNYFKALFCU-WMLDXEAASA-N 0 1 291.439 3.900 20 0 CHADMN COc1cc2[nH]cnc2cc1-c1cnc(Cl)cc1C ZINC001244916253 1130706459 /nfs/dbraw/zinc/70/64/59/1130706459.db2.gz AMTUCFHUQUPPKF-UHFFFAOYSA-N 0 1 273.723 3.595 20 0 CHADMN CCC[C@H](C)C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001133402855 1130707618 /nfs/dbraw/zinc/70/76/18/1130707618.db2.gz YPRUPZORYPWGMT-QMMMGPOBSA-N 0 1 265.744 3.591 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)/C=C2\CC[C@H](C)C2)c1 ZINC000812706735 1130707629 /nfs/dbraw/zinc/70/76/29/1130707629.db2.gz YEHBJNZEOJRJBV-UTEVDWOZSA-N 0 1 287.359 3.670 20 0 CHADMN F[C@H]1CCCC[N@@H+](Cc2cccc(N3CCCC3)c2)C1 ZINC001235083383 1130708777 /nfs/dbraw/zinc/70/87/77/1130708777.db2.gz CDADREIKDZBRMM-INIZCTEOSA-N 0 1 276.399 3.611 20 0 CHADMN COc1ccc(F)cc1CNc1ccc2c(c1)nc(C)n2C ZINC000812757201 1130712162 /nfs/dbraw/zinc/71/21/62/1130712162.db2.gz WPQLUNXJKVUHJJ-UHFFFAOYSA-N 0 1 299.349 3.642 20 0 CHADMN C[C@]1(F)CCCN([C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170688577 1130720078 /nfs/dbraw/zinc/72/00/78/1130720078.db2.gz AKXIEDRJFXWGIE-CJNGLKHVSA-N 0 1 283.337 3.646 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1cncc(C(F)(F)F)c1 ZINC000812831833 1130720736 /nfs/dbraw/zinc/72/07/36/1130720736.db2.gz FNQQRJWSGNLSAA-NSHDSACASA-N 0 1 295.308 3.655 20 0 CHADMN Cc1cc(F)c(CN2CCC(C)(C)CC2)c(F)c1 ZINC001235203156 1130722332 /nfs/dbraw/zinc/72/23/32/1130722332.db2.gz UMVCYLFTBXCSTQ-UHFFFAOYSA-N 0 1 253.336 3.895 20 0 CHADMN Cc1cc(F)c(CN(C)CC2CC(F)(F)C2)c(F)c1 ZINC001235201912 1130723384 /nfs/dbraw/zinc/72/33/84/1130723384.db2.gz MWJKZKJFWFPECE-UHFFFAOYSA-N 0 1 275.289 3.750 20 0 CHADMN CN(Cc1cc2cccc(F)c2[nH]1)C1CC(F)(F)C1 ZINC001235235409 1130725664 /nfs/dbraw/zinc/72/56/64/1130725664.db2.gz WMYVCPQXMWNOJN-UHFFFAOYSA-N 0 1 268.282 3.537 20 0 CHADMN CCCCN(CCC)Cc1cncc(F)c1Cl ZINC001235496735 1130749060 /nfs/dbraw/zinc/74/90/60/1130749060.db2.gz PYJYORNRHZYJRU-UHFFFAOYSA-N 0 1 258.768 3.886 20 0 CHADMN CCc1cccc(CN2CC[C@@H]2c2ccccc2)n1 ZINC001235260015 1130729157 /nfs/dbraw/zinc/72/91/57/1130729157.db2.gz LYXIKCWVIVSSLX-QGZVFWFLSA-N 0 1 252.361 3.591 20 0 CHADMN CCc1cccc(CN2CCC[C@H]2c2cccc(OC)c2)n1 ZINC001235257549 1130729984 /nfs/dbraw/zinc/72/99/84/1130729984.db2.gz HVUYYVKFNZQLMD-IBGZPJMESA-N 0 1 296.414 3.990 20 0 CHADMN Cc1cnc(F)c(CN2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001235346336 1130735996 /nfs/dbraw/zinc/73/59/96/1130735996.db2.gz PMTNCSUKCCFNQX-OKILXGFUSA-N 0 1 282.362 3.616 20 0 CHADMN CCOc1cc(O)cc(CN2CCc3ccc(C)cc3C2)c1 ZINC001235385022 1130737709 /nfs/dbraw/zinc/73/77/09/1130737709.db2.gz HYJBITFERQDTGX-UHFFFAOYSA-N 0 1 297.398 3.658 20 0 CHADMN CCOc1cc(O)cc(CN2CCC[C@@H]2c2ccncc2)c1 ZINC001235397092 1130738278 /nfs/dbraw/zinc/73/82/78/1130738278.db2.gz AHFQXUKWRSUCBC-GOSISDBHSA-N 0 1 298.386 3.523 20 0 CHADMN Cc1cc(OC(C)C)ncc1CN(C)Cc1ccccc1 ZINC001235418291 1130740416 /nfs/dbraw/zinc/74/04/16/1130740416.db2.gz PNNFJBSYDGLOTD-UHFFFAOYSA-N 0 1 284.403 3.809 20 0 CHADMN Cc1cc(OC(C)C)ncc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001235421041 1130741744 /nfs/dbraw/zinc/74/17/44/1130741744.db2.gz KGEFCOADBUPQAI-JKSUJKDBSA-N 0 1 288.435 3.799 20 0 CHADMN COc1cc(C[N@H+]2CCC[C@H](C)[C@H](C)C2)cc(F)c1F ZINC001235435416 1130744123 /nfs/dbraw/zinc/74/41/23/1130744123.db2.gz VXHXSRMHRBTXFN-NWDGAFQWSA-N 0 1 283.362 3.841 20 0 CHADMN Clc1cc2c(CN3CC4(C3)CCCCC4)c[nH]c2cn1 ZINC001235518673 1130750619 /nfs/dbraw/zinc/75/06/19/1130750619.db2.gz ZRQXTMPEQDNPPI-UHFFFAOYSA-N 0 1 289.810 3.982 20 0 CHADMN CC1(F)CCN(Cc2c[nH]c3cnc(Cl)cc23)CC1 ZINC001235509052 1130750705 /nfs/dbraw/zinc/75/07/05/1130750705.db2.gz VGVCRYKRRITMLK-UHFFFAOYSA-N 0 1 281.762 3.540 20 0 CHADMN CN(C)Cc1ccc(NC(=O)[C@@H]2CCC(C)(C)C2)cc1F ZINC000782005206 1130752318 /nfs/dbraw/zinc/75/23/18/1130752318.db2.gz PZZLWGMQBOFURF-GFCCVEGCSA-N 0 1 292.398 3.652 20 0 CHADMN CC(C)c1cnc(CN2CC[C@@]3(CC[C@H](C)C3)C2)o1 ZINC000782106707 1130755656 /nfs/dbraw/zinc/75/56/56/1130755656.db2.gz ILWGJEDNTQOEAH-XJKSGUPXSA-N 0 1 262.397 3.810 20 0 CHADMN CC[C@@H](C)CN(C)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000782153712 1130757131 /nfs/dbraw/zinc/75/71/31/1130757131.db2.gz QADLNOAKTUQWMO-MRVPVSSYSA-N 0 1 297.752 3.570 20 0 CHADMN CC1(C)CN(Cc2ccccc2-c2ccncc2)CCC1=O ZINC001235628221 1130759781 /nfs/dbraw/zinc/75/97/81/1130759781.db2.gz NBTILRWPXKOKNJ-UHFFFAOYSA-N 0 1 294.398 3.550 20 0 CHADMN COCC1=CCN([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000782193443 1130760783 /nfs/dbraw/zinc/76/07/83/1130760783.db2.gz HJAPYCJHIJZTRP-INIZCTEOSA-N 0 1 277.795 3.606 20 0 CHADMN CCCCN(CCC)Cc1c(F)ccc(N)c1F ZINC001235663935 1130763863 /nfs/dbraw/zinc/76/38/63/1130763863.db2.gz YOGGAZIPPVTQCB-UHFFFAOYSA-N 0 1 256.340 3.559 20 0 CHADMN CC(C)SCCN(C)Cc1ccc(Br)o1 ZINC000336709783 1130770978 /nfs/dbraw/zinc/77/09/78/1130770978.db2.gz SVDQVEYBZKPFFO-UHFFFAOYSA-N 0 1 292.242 3.616 20 0 CHADMN Cc1ccc(F)c(CN2CC[C@@H](C)C2)c1Br ZINC001235759961 1130776386 /nfs/dbraw/zinc/77/63/86/1130776386.db2.gz NVXNAGZRMKHOHL-SECBINFHSA-N 0 1 286.188 3.738 20 0 CHADMN CCOc1cc(CN2CCC(OC(C)C)CC2)ccc1F ZINC001235801722 1130780976 /nfs/dbraw/zinc/78/09/76/1130780976.db2.gz SJXJWOHZGKJFLT-UHFFFAOYSA-N 0 1 295.398 3.614 20 0 CHADMN Cc1nc(F)ccc1CN(C)Cc1cccc2cccnc21 ZINC001235814196 1130781662 /nfs/dbraw/zinc/78/16/62/1130781662.db2.gz HSVMPWVOVZESAM-UHFFFAOYSA-N 0 1 295.361 3.709 20 0 CHADMN CCOc1cc(CN2CC(c3ccccc3)C2)ccc1F ZINC001235803679 1130781670 /nfs/dbraw/zinc/78/16/70/1130781670.db2.gz RUCKBPYRSSKTLC-UHFFFAOYSA-N 0 1 285.362 3.824 20 0 CHADMN OCC[C@H](NCc1cc(F)ccc1Cl)c1cccs1 ZINC000782529843 1130781780 /nfs/dbraw/zinc/78/17/80/1130781780.db2.gz DOKMFRJJYKCRBO-ZDUSSCGKSA-N 0 1 299.798 3.754 20 0 CHADMN CCCCN(CCCC)Cc1c(Cl)ccnc1N ZINC001235834989 1130785897 /nfs/dbraw/zinc/78/58/97/1130785897.db2.gz SYBQIQCTQSAPRH-UHFFFAOYSA-N 0 1 269.820 3.719 20 0 CHADMN Cc1nc2cc(CN3CC(c4cccnc4)C3)ccc2s1 ZINC001235862814 1130789987 /nfs/dbraw/zinc/78/99/87/1130789987.db2.gz MBFWIBCHPMEPJP-UHFFFAOYSA-N 0 1 295.411 3.599 20 0 CHADMN CC[C@@H](N[C@@H](C)c1nccnc1C)c1ccc(F)cc1 ZINC000783228614 1130804468 /nfs/dbraw/zinc/80/44/68/1130804468.db2.gz AQIRMVIWLXISEJ-SWLSCSKDSA-N 0 1 273.355 3.726 20 0 CHADMN CN(C)Cc1cccc(-c2cc(O)cc(Cl)c2)c1F ZINC001235908678 1130805140 /nfs/dbraw/zinc/80/51/40/1130805140.db2.gz IJBWPKGFUOCYIA-UHFFFAOYSA-N 0 1 279.742 3.913 20 0 CHADMN CC[C@H](NCc1cccc(F)n1)c1cccc(F)c1 ZINC000783263626 1130809579 /nfs/dbraw/zinc/80/95/79/1130809579.db2.gz VVTDHHDPKUOVHK-AWEZNQCLSA-N 0 1 262.303 3.601 20 0 CHADMN Fc1ccc([C@@H](NC[C@@H]2CCC=CO2)c2ccccc2)nc1 ZINC000783311714 1130815114 /nfs/dbraw/zinc/81/51/14/1130815114.db2.gz WZWCXSRGRWNREQ-WMZOPIPTSA-N 0 1 298.361 3.592 20 0 CHADMN Cc1nc(-c2ccc(Cl)cc2Cl)nc2nc[nH]c21 ZINC001235964256 1130820393 /nfs/dbraw/zinc/82/03/93/1130820393.db2.gz ZIYROQAUEANCSV-UHFFFAOYSA-N 0 1 279.130 3.587 20 0 CHADMN CC1(C)[C@@H]2C[C@H](NC3(c4ccc(Cl)cc4)COC3)C[C@@H]21 ZINC001170724357 1130820605 /nfs/dbraw/zinc/82/06/05/1130820605.db2.gz IQEUQYQNNXKDMA-QDMKHBRRSA-N 0 1 291.822 3.590 20 0 CHADMN CSc1cccnc1-c1c(F)cc(F)c(O)c1F ZINC001235983460 1130822694 /nfs/dbraw/zinc/82/26/94/1130822694.db2.gz AXHSWKMUQCSNAP-UHFFFAOYSA-N 0 1 271.263 3.593 20 0 CHADMN Cc1ccc2ncnc(-c3c(F)cc(F)c(O)c3F)c2c1 ZINC001235985994 1130822725 /nfs/dbraw/zinc/82/27/25/1130822725.db2.gz OZKXICMJMPLDOJ-UHFFFAOYSA-N 0 1 290.244 3.728 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc3c(n2)CCCC3)c1F ZINC001235986711 1130823830 /nfs/dbraw/zinc/82/38/30/1130823830.db2.gz XCSFNDGEDAJCGK-UHFFFAOYSA-N 0 1 279.261 3.750 20 0 CHADMN Cc1nc2ccc(-c3c(F)cc(F)c(O)c3F)cc2o1 ZINC001235998387 1130826902 /nfs/dbraw/zinc/82/69/02/1130826902.db2.gz XGRCIIUXCFZNON-UHFFFAOYSA-N 0 1 279.217 3.926 20 0 CHADMN CC(C)COc1ccc(-c2c(F)cc(F)c(O)c2F)cn1 ZINC001235999745 1130827568 /nfs/dbraw/zinc/82/75/68/1130827568.db2.gz NKDPNYIBYKDIBK-UHFFFAOYSA-N 0 1 297.276 3.906 20 0 CHADMN Oc1c(F)cc(F)c(-c2ccc3c(c2)COCC3)c1F ZINC001236002047 1130828799 /nfs/dbraw/zinc/82/87/99/1130828799.db2.gz IRSJBEXNEYDHRY-UHFFFAOYSA-N 0 1 280.245 3.549 20 0 CHADMN CC(=O)Nc1ccc(F)c(-c2c(F)cc(F)c(O)c2F)c1 ZINC001236002027 1130828985 /nfs/dbraw/zinc/82/89/85/1130828985.db2.gz ICHHEANREQTHMK-UHFFFAOYSA-N 0 1 299.223 3.574 20 0 CHADMN CN(C)Cc1ccc(-c2ccc(-c3ccncc3)cc2)nc1 ZINC001236037296 1130834396 /nfs/dbraw/zinc/83/43/96/1130834396.db2.gz QZXOJGCSSNWEQW-UHFFFAOYSA-N 0 1 289.382 3.872 20 0 CHADMN CC(C)=CCC[C@H](C)CCN(C)[C@@H]1CC(C)(C)OC1=O ZINC000814179779 1130835825 /nfs/dbraw/zinc/83/58/25/1130835825.db2.gz HJDINDBCONKMSM-LSDHHAIUSA-N 0 1 281.440 3.785 20 0 CHADMN OCc1ccc(C(F)(F)F)cc1-c1ccc2nc[nH]c2c1 ZINC001236058598 1130843408 /nfs/dbraw/zinc/84/34/08/1130843408.db2.gz LCZQHCHJIZHMRJ-UHFFFAOYSA-N 0 1 292.260 3.741 20 0 CHADMN CCc1ccc([C@H]2CCN(Cn3cccnc3=S)C2)cc1 ZINC000814225228 1130848941 /nfs/dbraw/zinc/84/89/41/1130848941.db2.gz PVQVJOLXLLWESP-INIZCTEOSA-N 0 1 299.443 3.622 20 0 CHADMN CCc1ccc([C@@H]2CCN(Cn3cccnc3=S)C2)cc1 ZINC000814225229 1130849734 /nfs/dbraw/zinc/84/97/34/1130849734.db2.gz PVQVJOLXLLWESP-MRXNPFEDSA-N 0 1 299.443 3.622 20 0 CHADMN CCC(F)(F)CN[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000697569648 1130856051 /nfs/dbraw/zinc/85/60/51/1130856051.db2.gz MSHKOZKBZQTLMQ-IUCAKERBSA-N 0 1 259.262 3.742 20 0 CHADMN COC(=O)c1nc2ccc(-c3ccc(Cl)cc3)cc2[nH]1 ZINC001236088989 1130856073 /nfs/dbraw/zinc/85/60/73/1130856073.db2.gz XPGWULDZCXOEKH-UHFFFAOYSA-N 0 1 286.718 3.670 20 0 CHADMN CC(C)Oc1ncccc1-c1cc2nc[nH]c2cc1F ZINC001236105462 1130864365 /nfs/dbraw/zinc/86/43/65/1130864365.db2.gz DDKIPUCMFAAVOA-UHFFFAOYSA-N 0 1 271.295 3.551 20 0 CHADMN CC(C)Oc1cccc(CN2CCc3cc(N)ccc3C2)c1 ZINC001236106160 1130864957 /nfs/dbraw/zinc/86/49/57/1130864957.db2.gz ZDPJBZOCQKFACZ-UHFFFAOYSA-N 0 1 296.414 3.614 20 0 CHADMN Fc1cccc(CNCc2cc3ccccc3s2)n1 ZINC000747935243 1130865940 /nfs/dbraw/zinc/86/59/40/1130865940.db2.gz KHTGQKXMRWEAKY-UHFFFAOYSA-N 0 1 272.348 3.725 20 0 CHADMN CCOc1cc(C)ccc1CN1CCc2cc(N)ccc2C1 ZINC001236109073 1130866572 /nfs/dbraw/zinc/86/65/72/1130866572.db2.gz QGADGGCKUIYSIK-UHFFFAOYSA-N 0 1 296.414 3.534 20 0 CHADMN Nc1cccc(CN2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC001236131113 1130871187 /nfs/dbraw/zinc/87/11/87/1130871187.db2.gz UOTOHTYGPOOPSE-KRWDZBQOSA-N 0 1 288.341 3.884 20 0 CHADMN CN[C@@H]1CCN1Cc1cccc2c3ccccc3sc21 ZINC001236168197 1130877722 /nfs/dbraw/zinc/87/77/22/1130877722.db2.gz UPXCFIYMTCHOTL-INIZCTEOSA-N 0 1 282.412 3.806 20 0 CHADMN CN[C@@H]1CCN1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001236169020 1130878073 /nfs/dbraw/zinc/87/80/73/1130878073.db2.gz YBNNBZIKAQBAIC-KRWDZBQOSA-N 0 1 286.806 3.758 20 0 CHADMN CN[C@@H]1CCN1Cc1cccc(Oc2ccc(C)cc2)c1 ZINC001236165895 1130878260 /nfs/dbraw/zinc/87/82/60/1130878260.db2.gz BBYNBDMBUNUOPQ-SFHVURJKSA-N 0 1 282.387 3.539 20 0 CHADMN c1ccc2c(c1)cncc2C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000784208342 1130890991 /nfs/dbraw/zinc/89/09/91/1130890991.db2.gz KMLQBNRYVLYPEY-LJQANCHMSA-N 0 1 289.382 3.967 20 0 CHADMN Cc1ccc2[nH]c(CN3CCc4ccc(N)cc4C3)cc2c1 ZINC001236234396 1130900363 /nfs/dbraw/zinc/90/03/63/1130900363.db2.gz YEFRIUBQMFCUFV-UHFFFAOYSA-N 0 1 291.398 3.617 20 0 CHADMN Cc1cc(CN2CCc3ccc(N)cc3C2)cc(C)c1F ZINC001236232813 1130900407 /nfs/dbraw/zinc/90/04/07/1130900407.db2.gz QFNABKLYGJCOSF-UHFFFAOYSA-N 0 1 284.378 3.583 20 0 CHADMN CC1(C)[C@@H]2C[C@H](N3CCc4c([nH]nc4C(F)(F)F)C3)C[C@@H]21 ZINC001170764652 1130910163 /nfs/dbraw/zinc/91/01/63/1130910163.db2.gz LCCLUEKEVHUUHD-UKKREREHSA-N 0 1 299.340 3.778 20 0 CHADMN CC(C)Oc1ccccc1CN1CCc2c(N)cccc2C1 ZINC001236363496 1130919336 /nfs/dbraw/zinc/91/93/36/1130919336.db2.gz NHYQHGUYBCJQCX-UHFFFAOYSA-N 0 1 296.414 3.614 20 0 CHADMN CCC=CNc1nc(Cl)nc2ccc(Cl)nc21 ZINC001170767621 1130919443 /nfs/dbraw/zinc/91/94/43/1130919443.db2.gz TWXWROISFGAQEE-ZZXKWVIFSA-N 0 1 269.135 3.667 20 0 CHADMN Cc1cc(C)cc([C@@H]2CCCN2Cc2csc(N)n2)c1 ZINC001236428290 1130939003 /nfs/dbraw/zinc/93/90/03/1130939003.db2.gz GXIWOKRKMSUOER-HNNXBMFYSA-N 0 1 287.432 3.679 20 0 CHADMN Fc1ccc(N[C@H]2CCCc3[nH]ncc32)c(OC(F)F)c1 ZINC000796916697 1130945345 /nfs/dbraw/zinc/94/53/45/1130945345.db2.gz BXMIZBFFOWMAIA-JTQLQIEISA-N 0 1 297.280 3.640 20 0 CHADMN CC[C@]1(C)Oc2ccc(N[C@H]3CCCc4[nH]ncc43)cc2O1 ZINC000796959236 1130948683 /nfs/dbraw/zinc/94/86/83/1130948683.db2.gz MUUIGDKQEHNQFK-SUMWQHHRSA-N 0 1 299.374 3.797 20 0 CHADMN CC[C@@H]1CCCN(Cc2ccnc(Br)c2)CC1 ZINC000815051819 1130952682 /nfs/dbraw/zinc/95/26/82/1130952682.db2.gz VDQFTJRTXMPUMC-GFCCVEGCSA-N 0 1 297.240 3.856 20 0 CHADMN C[C@@H](c1ccco1)N(C)C[C@@H](O)c1cc2ccccc2o1 ZINC000815027771 1130953827 /nfs/dbraw/zinc/95/38/27/1130953827.db2.gz IPCJVSHAABVQPS-GXTWGEPZSA-N 0 1 285.343 3.752 20 0 CHADMN Cc1ccc(-c2cc3[nH]cnc3cc2C)c2c[nH]nc21 ZINC001236494226 1130956258 /nfs/dbraw/zinc/95/62/58/1130956258.db2.gz ZZMVSOIYFRGUPJ-UHFFFAOYSA-N 0 1 262.316 3.723 20 0 CHADMN Cn1ncc(CN[C@H](CC2CC2)c2ccccc2)c1Cl ZINC000815127510 1130959165 /nfs/dbraw/zinc/95/91/65/1130959165.db2.gz VJJAUWAPPNYJCB-OAHLLOKOSA-N 0 1 289.810 3.705 20 0 CHADMN O=C(C1CCN([C@@H]2C=CCCCCC2)CC1)C(F)(F)F ZINC000815094002 1130960909 /nfs/dbraw/zinc/96/09/09/1130960909.db2.gz XOFUFSQOKWZLLW-CYBMUJFWSA-N 0 1 289.341 3.719 20 0 CHADMN C[C@H](Cc1cccc(F)c1)N[C@@H](C)c1c(F)cncc1F ZINC000797129259 1130964192 /nfs/dbraw/zinc/96/41/92/1130964192.db2.gz VKLZQXLXLRSNGN-MNOVXSKESA-N 0 1 294.320 3.781 20 0 CHADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCC(C)(F)F ZINC000797208798 1130971476 /nfs/dbraw/zinc/97/14/76/1130971476.db2.gz VJLOMSCFSMHUPX-UHFFFAOYSA-N 0 1 294.301 3.587 20 0 CHADMN Cc1nc(C)c(CN2CCC[C@@H]2c2ccccc2F)o1 ZINC001236591887 1130981775 /nfs/dbraw/zinc/98/17/75/1130981775.db2.gz UKFKDXWIYRWAHT-OAHLLOKOSA-N 0 1 274.339 3.768 20 0 CHADMN Cc1c(N)c(F)ccc1-c1ccc(CN(C)C)c(F)c1 ZINC001245463815 1130982638 /nfs/dbraw/zinc/98/26/38/1130982638.db2.gz OHUHAFOEPYKNFZ-UHFFFAOYSA-N 0 1 276.330 3.584 20 0 CHADMN Cc1c(Br)cccc1CN1CC2CC(C2)C1 ZINC001236610039 1130983374 /nfs/dbraw/zinc/98/33/74/1130983374.db2.gz YRBLQABEKFQLED-UHFFFAOYSA-N 0 1 280.209 3.599 20 0 CHADMN Cc1cc(Cl)cc(CN(C)Cc2ccccc2C)n1 ZINC001236639503 1130987738 /nfs/dbraw/zinc/98/77/38/1130987738.db2.gz QAPJEXVCZYOGJY-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1cc(Cl)cc(CN2CCC(C(C)C)CC2)n1 ZINC001236643507 1130988782 /nfs/dbraw/zinc/98/87/82/1130988782.db2.gz PJCSALVMXWWUEZ-UHFFFAOYSA-N 0 1 266.816 3.911 20 0 CHADMN COc1ccc2sc(CN3C[C@H](F)C[C@H]3C)cc2c1 ZINC001236655727 1130990023 /nfs/dbraw/zinc/99/00/23/1130990023.db2.gz GVGYXDRMMIJXJF-ZYHUDNBSSA-N 0 1 279.380 3.842 20 0 CHADMN COc1cccc(Br)c1CN1CCCCCC1 ZINC001236669876 1130990986 /nfs/dbraw/zinc/99/09/86/1130990986.db2.gz KWXSDLXXOTVSOY-UHFFFAOYSA-N 0 1 298.224 3.834 20 0 CHADMN CC1=C[C@H](C)CN(C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000797526262 1130991197 /nfs/dbraw/zinc/99/11/97/1130991197.db2.gz KJXYCFUQMOQEJI-XHDPSFHLSA-N 0 1 299.336 3.637 20 0 CHADMN CC(C)[NH+](Cc1ccc(Br)c([O-])c1)C(C)C ZINC001236691515 1130994103 /nfs/dbraw/zinc/99/41/03/1130994103.db2.gz HQWWHBKJRIVVIM-UHFFFAOYSA-N 0 1 286.213 3.774 20 0 CHADMN F[C@@H]1CN(Cc2cccc3sccc32)C[C@@H]2C[C@@H]21 ZINC001236685434 1130994453 /nfs/dbraw/zinc/99/44/53/1130994453.db2.gz CKBGMCTVFXLVCB-FPMFFAJLSA-N 0 1 261.365 3.691 20 0 CHADMN C[N@H+](Cc1ccc(Br)c([O-])c1)C1CCCCC1 ZINC001236692826 1130995833 /nfs/dbraw/zinc/99/58/33/1130995833.db2.gz STWCGAXSVAUCOV-UHFFFAOYSA-N 0 1 298.224 3.919 20 0 CHADMN C[N@@H+](Cc1ccc(Br)c([O-])c1)C1CCCCC1 ZINC001236692826 1130995837 /nfs/dbraw/zinc/99/58/37/1130995837.db2.gz STWCGAXSVAUCOV-UHFFFAOYSA-N 0 1 298.224 3.919 20 0 CHADMN Cc1c(F)ccc(CN2CCC[C@H](CF)C2)c1Cl ZINC001236720218 1130998815 /nfs/dbraw/zinc/99/88/15/1130998815.db2.gz YFXAZADFHHBZJM-LLVKDONJSA-N 0 1 273.754 3.969 20 0 CHADMN Cc1c(F)ccc(C[N@H+]2CCCOC(C)(C)C2)c1Cl ZINC001236719692 1130999417 /nfs/dbraw/zinc/99/94/17/1130999417.db2.gz SNQXRGWKENUBJH-UHFFFAOYSA-N 0 1 285.790 3.788 20 0 CHADMN Cc1c(F)ccc(CN2CCCOC(C)(C)C2)c1Cl ZINC001236719692 1130999421 /nfs/dbraw/zinc/99/94/21/1130999421.db2.gz SNQXRGWKENUBJH-UHFFFAOYSA-N 0 1 285.790 3.788 20 0 CHADMN CN(Cc1cnc2ccccn12)Cc1cccc2ccoc21 ZINC001236731256 1131000492 /nfs/dbraw/zinc/00/04/92/1131000492.db2.gz XXMJZWDNUZHGOW-UHFFFAOYSA-N 0 1 291.354 3.713 20 0 CHADMN O=C1CCN(Cc2cccc3ccoc32)[C@H]2CCCC[C@H]12 ZINC001236733559 1131001688 /nfs/dbraw/zinc/00/16/88/1131001688.db2.gz UYHWWASWMOJFOX-HOTGVXAUSA-N 0 1 283.371 3.766 20 0 CHADMN Cc1cc(F)ccc1[C@@H](C)N[C@H](CO)c1ccc(F)cc1 ZINC000815593660 1131005786 /nfs/dbraw/zinc/00/57/86/1131005786.db2.gz SWILSXFHZPXSCB-SJKOYZFVSA-N 0 1 291.341 3.657 20 0 CHADMN CCN(c1ccc(N[C@H]2CCOC2(C)C)cc1)C(C)C ZINC000815601826 1131007737 /nfs/dbraw/zinc/00/77/37/1131007737.db2.gz GBSBXPHQCJBZFR-INIZCTEOSA-N 0 1 276.424 3.901 20 0 CHADMN Cc1cc(F)ccc1[C@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000815610249 1131008046 /nfs/dbraw/zinc/00/80/46/1131008046.db2.gz GLPSHCQLXBFEHT-ZDUSSCGKSA-N 0 1 296.349 3.888 20 0 CHADMN COc1cc(CN2CCC[C@@H](C)[C@@H]2C)c(F)cc1F ZINC001236824201 1131013286 /nfs/dbraw/zinc/01/32/86/1131013286.db2.gz PBDKGZYTYQEFCV-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN COc1cc(CN2CCC3(CCC3)CC2)c(F)cc1F ZINC001236819092 1131014377 /nfs/dbraw/zinc/01/43/77/1131014377.db2.gz YLKKSBQGMLLORU-UHFFFAOYSA-N 0 1 281.346 3.740 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(OC)c(F)cc1F ZINC001236828198 1131017676 /nfs/dbraw/zinc/01/76/76/1131017676.db2.gz RCUOTZPKBOJLMW-LBPRGKRZSA-N 0 1 269.335 3.738 20 0 CHADMN C[C@@H](Cc1ccsc1)NCc1c(F)cc(F)cc1F ZINC000815650137 1131017799 /nfs/dbraw/zinc/01/77/99/1131017799.db2.gz JMVVEFPJRSLYGJ-VIFPVBQESA-N 0 1 285.334 3.886 20 0 CHADMN Clc1cc2ccccc2nc1CN1CCC2(CC2)C1 ZINC001236867688 1131025059 /nfs/dbraw/zinc/02/50/59/1131025059.db2.gz MVIYEEPBYHGVNY-UHFFFAOYSA-N 0 1 272.779 3.874 20 0 CHADMN Clc1cc2ccccc2nc1CN1CCCCC1 ZINC001236874545 1131026954 /nfs/dbraw/zinc/02/69/54/1131026954.db2.gz QAMDEAJLHIQAQD-UHFFFAOYSA-N 0 1 260.768 3.874 20 0 CHADMN C[C@@H]1CCN(Cc2ccc(F)c3ccoc32)C[C@H]1F ZINC001236889710 1131027843 /nfs/dbraw/zinc/02/78/43/1131027843.db2.gz DYABZPZCGXMDAR-QMTHXVAHSA-N 0 1 265.303 3.752 20 0 CHADMN CC(=O)[C@H]1CCCCN1Cc1ccc(C2CCC2)cc1 ZINC001237106266 1131050681 /nfs/dbraw/zinc/05/06/81/1131050681.db2.gz FGYTYTUKKLRSOD-GOSISDBHSA-N 0 1 271.404 3.898 20 0 CHADMN Cc1c(CN2CCC[C@H](C(F)F)C2)ccc(F)c1F ZINC001237160872 1131061639 /nfs/dbraw/zinc/06/16/39/1131061639.db2.gz HPWZPFMCYLEXEP-NSHDSACASA-N 0 1 275.289 3.750 20 0 CHADMN C[C@H]1CC[C@H]1Nc1ccc(Cl)c(CN(C)C)c1 ZINC000798938278 1131063494 /nfs/dbraw/zinc/06/34/94/1131063494.db2.gz VXEQAQNEFBZIQE-IINYFYTJSA-N 0 1 252.789 3.612 20 0 CHADMN C[C@@H]1CC[C@H]1Nc1ccc(Cl)c(CN(C)C)c1 ZINC000798938279 1131063632 /nfs/dbraw/zinc/06/36/32/1131063632.db2.gz VXEQAQNEFBZIQE-QMTHXVAHSA-N 0 1 252.789 3.612 20 0 CHADMN C[C@H](OC(=O)C(C)(C)N1CCCC1)c1cccc(Cl)c1 ZINC000805610575 1131063887 /nfs/dbraw/zinc/06/38/87/1131063887.db2.gz GGIKMILAKMRYJE-LBPRGKRZSA-N 0 1 295.810 3.819 20 0 CHADMN COc1ccccc1C[C@@H](C)[N@H+](C)Cc1occc1[S-] ZINC001237181800 1131065035 /nfs/dbraw/zinc/06/50/35/1131065035.db2.gz FYTODSQRUQYJCH-GFCCVEGCSA-N 0 1 291.416 3.640 20 0 CHADMN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1occc1[S-] ZINC001237181800 1131065042 /nfs/dbraw/zinc/06/50/42/1131065042.db2.gz FYTODSQRUQYJCH-GFCCVEGCSA-N 0 1 291.416 3.640 20 0 CHADMN [S-]c1ccoc1C[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001237185156 1131066728 /nfs/dbraw/zinc/06/67/28/1131066728.db2.gz TZMKUMBXKBPKGW-TXEJJXNPSA-N 0 1 271.385 3.655 20 0 CHADMN [S-]c1ccoc1C[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001237185156 1131066735 /nfs/dbraw/zinc/06/67/35/1131066735.db2.gz TZMKUMBXKBPKGW-TXEJJXNPSA-N 0 1 271.385 3.655 20 0 CHADMN COc1cccc(CN2CC(c3ccccc3)C2)c1Cl ZINC001237193256 1131068157 /nfs/dbraw/zinc/06/81/57/1131068157.db2.gz HBXNXBOTWLOMEO-UHFFFAOYSA-N 0 1 287.790 3.948 20 0 CHADMN Cc1nc2cc(C)ccn2c1CN1C2CCCC1CCC2 ZINC001139680216 1131069509 /nfs/dbraw/zinc/06/95/09/1131069509.db2.gz VJMYVLWSXRRJDH-UHFFFAOYSA-N 0 1 283.419 3.858 20 0 CHADMN Cc1cc(COC(=O)c2[nH]c(-c3ccccc3)nc2C)co1 ZINC000816241940 1131069794 /nfs/dbraw/zinc/06/97/94/1131069794.db2.gz MHBNOTGKJVZWRE-UHFFFAOYSA-N 0 1 296.326 3.644 20 0 CHADMN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1cnc(Cl)cn1 ZINC000799123153 1131071433 /nfs/dbraw/zinc/07/14/33/1131071433.db2.gz QBQOJLIHJLVWCO-GXTWGEPZSA-N 0 1 287.794 3.508 20 0 CHADMN COc1nc(Cl)ccc1CN1CC[C@H]2CCCC[C@H]2C1 ZINC001237242304 1131072889 /nfs/dbraw/zinc/07/28/89/1131072889.db2.gz CZJVEBNRXBHTKY-OLZOCXBDSA-N 0 1 294.826 3.756 20 0 CHADMN COc1cc(CN2CC3(CCC3)C2)ccc1C(F)F ZINC001237270414 1131075001 /nfs/dbraw/zinc/07/50/01/1131075001.db2.gz RHASCIDZWMIHSU-UHFFFAOYSA-N 0 1 267.319 3.619 20 0 CHADMN C[C@@H](c1ccc(F)cc1F)N1CC[C@@H](c2ccccn2)C1 ZINC000799195135 1131076338 /nfs/dbraw/zinc/07/63/38/1131076338.db2.gz WGGFKFOVDDLEIX-QWHCGFSZSA-N 0 1 288.341 3.910 20 0 CHADMN Cc1ccc(CN(C)Cc2cc(O)cc(F)c2)cc1C ZINC001237282905 1131076736 /nfs/dbraw/zinc/07/67/36/1131076736.db2.gz HVEPLVNGSXSDGP-UHFFFAOYSA-N 0 1 273.351 3.780 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ccncc1C(F)(F)F ZINC001237288246 1131078331 /nfs/dbraw/zinc/07/83/31/1131078331.db2.gz BCYCMNQSTGSIEQ-GFCCVEGCSA-N 0 1 272.314 3.865 20 0 CHADMN Cc1cc(F)cc(C)c1CN1CCC[C@](C)(F)C1 ZINC001237317344 1131080321 /nfs/dbraw/zinc/08/03/21/1131080321.db2.gz LFWWMQOQVUUKIC-HNNXBMFYSA-N 0 1 253.336 3.767 20 0 CHADMN CSc1ccccc1[C@H](C)NCc1ccc(F)nc1 ZINC000799344366 1131082766 /nfs/dbraw/zinc/08/27/66/1131082766.db2.gz BMIKSRZTGGWKFV-NSHDSACASA-N 0 1 276.380 3.793 20 0 CHADMN CCc1cccc(C)c1CN1CC[C@@](C)(F)[C@H](F)C1 ZINC001237324605 1131082853 /nfs/dbraw/zinc/08/28/53/1131082853.db2.gz OZNIWVANLJKRHW-HZPDHXFCSA-N 0 1 267.363 3.829 20 0 CHADMN CCCCC[C@@H](CC)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000816407205 1131086632 /nfs/dbraw/zinc/08/66/32/1131086632.db2.gz RUSLMRQTYTVDLQ-GFCCVEGCSA-N 0 1 295.427 3.752 20 0 CHADMN CCCCC[C@@H](CC)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000816407205 1131086635 /nfs/dbraw/zinc/08/66/35/1131086635.db2.gz RUSLMRQTYTVDLQ-GFCCVEGCSA-N 0 1 295.427 3.752 20 0 CHADMN CCc1cccc(C)c1C[N@H+]1CCc2c(O)cccc2C1 ZINC001237334158 1131086701 /nfs/dbraw/zinc/08/67/01/1131086701.db2.gz MEZUCRJAGFSWOW-UHFFFAOYSA-N 0 1 281.399 3.821 20 0 CHADMN CCCCCC[C@H](C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000816406839 1131086847 /nfs/dbraw/zinc/08/68/47/1131086847.db2.gz DWZAEAQRZUBCOC-LBPRGKRZSA-N 0 1 295.427 3.752 20 0 CHADMN CCCCCC[C@H](C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000816406839 1131086851 /nfs/dbraw/zinc/08/68/51/1131086851.db2.gz DWZAEAQRZUBCOC-LBPRGKRZSA-N 0 1 295.427 3.752 20 0 CHADMN CC(C)([NH3+])c1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001159489798 1131096066 /nfs/dbraw/zinc/09/60/66/1131096066.db2.gz FTEZZQLOFGDHFM-UHFFFAOYSA-N 0 1 278.302 3.608 20 0 CHADMN Cc1nc(OC(C)C)ccc1-c1cc(O)c(F)c(F)c1F ZINC001245638420 1131096595 /nfs/dbraw/zinc/09/65/95/1131096595.db2.gz HPTAZFIUYYYZDJ-UHFFFAOYSA-N 0 1 297.276 3.967 20 0 CHADMN Fc1ccc(CN2CC[C@@H](C(F)(F)F)C2)c2ncccc12 ZINC001237428265 1131096665 /nfs/dbraw/zinc/09/66/65/1131096665.db2.gz GAJXGMXAPHUDOI-LLVKDONJSA-N 0 1 298.283 3.758 20 0 CHADMN CCCN(Cc1cc2ccccn2n1)Cc1ccccc1 ZINC001237441292 1131098576 /nfs/dbraw/zinc/09/85/76/1131098576.db2.gz AIYWHMJJZOORNA-UHFFFAOYSA-N 0 1 279.387 3.747 20 0 CHADMN CC(C)(C)c1ncncc1-c1cc(O)c(F)c(F)c1F ZINC001245639475 1131100218 /nfs/dbraw/zinc/10/02/18/1131100218.db2.gz SBZWZWHFAZZMST-UHFFFAOYSA-N 0 1 282.265 3.564 20 0 CHADMN CC(C)c1cccc(CN2CCc3cnccc3C2)c1 ZINC001237457648 1131101178 /nfs/dbraw/zinc/10/11/78/1131101178.db2.gz YIFRLJXDKZIHFV-UHFFFAOYSA-N 0 1 266.388 3.763 20 0 CHADMN O=c1[nH]c2ccccc2c(Cl)c1CN1CC2(CCC2)C1 ZINC001237504476 1131106350 /nfs/dbraw/zinc/10/63/50/1131106350.db2.gz OOXLVCPYIVRVFV-UHFFFAOYSA-N 0 1 288.778 3.580 20 0 CHADMN COc1c(C)cccc1CN1CCCC[C@@](C)(F)C1 ZINC001237499897 1131106509 /nfs/dbraw/zinc/10/65/09/1131106509.db2.gz GPIYHNUDBBEAEQ-MRXNPFEDSA-N 0 1 265.372 3.718 20 0 CHADMN COc1c(C)cccc1CN1CCc2sccc2C1 ZINC001237502248 1131106567 /nfs/dbraw/zinc/10/65/67/1131106567.db2.gz KTEWXRXOZIWCCY-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN Oc1cccc(F)c1-c1ccc(C2=NCCC2)cc1 ZINC001245654413 1131108226 /nfs/dbraw/zinc/10/82/26/1131108226.db2.gz RIHWOSHHOFTJER-UHFFFAOYSA-N 0 1 255.292 3.781 20 0 CHADMN CC1(C)CN(Cc2cccc3c(F)cccc23)CCO1 ZINC001237523896 1131110345 /nfs/dbraw/zinc/11/03/45/1131110345.db2.gz YSSCICFQMXDEIG-UHFFFAOYSA-N 0 1 273.351 3.590 20 0 CHADMN Fc1ccccc1[C@H]1CCCN1Cc1ccn2nccc2c1 ZINC001237538638 1131111974 /nfs/dbraw/zinc/11/19/74/1131111974.db2.gz GXEIWXDNCXISSQ-GOSISDBHSA-N 0 1 295.361 3.811 20 0 CHADMN CC(=O)[C@H]1CCCN(Cc2cccc(-c3ccccc3)n2)C1 ZINC001237546408 1131114676 /nfs/dbraw/zinc/11/46/76/1131114676.db2.gz JSMVVQRMPIZEFB-KRWDZBQOSA-N 0 1 294.398 3.550 20 0 CHADMN CCn1cncc1CN1CCCC[C@@H]1c1cccc(OC)c1 ZINC001237591477 1131117063 /nfs/dbraw/zinc/11/70/63/1131117063.db2.gz WQEBCQBUACZBIE-GOSISDBHSA-N 0 1 299.418 3.639 20 0 CHADMN COc1ccc(OC)c(CN2CCC[C@@H]3CCC[C@H]32)c1F ZINC001237586911 1131117477 /nfs/dbraw/zinc/11/74/77/1131117477.db2.gz ZTGFZXGCSMYQMR-GXTWGEPZSA-N 0 1 293.382 3.607 20 0 CHADMN CCCOc1c(CN2C[C@@H](C)[C@@H]2C)cccc1OCC ZINC000816646207 1131118664 /nfs/dbraw/zinc/11/86/64/1131118664.db2.gz ACXPHBWJQNZXKX-KGLIPLIRSA-N 0 1 277.408 3.714 20 0 CHADMN C[C@@H]1CN(Cc2ccc(-c3ccncc3)cc2F)[C@H]1C ZINC000816648169 1131119490 /nfs/dbraw/zinc/11/94/90/1131119490.db2.gz GEPQGUICQVRKLR-OLZOCXBDSA-N 0 1 270.351 3.728 20 0 CHADMN CCCCc1noc([C@H](C)N2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC001115857870 1131121465 /nfs/dbraw/zinc/12/14/65/1131121465.db2.gz AIZIKRJVYOUGPW-RRFJBIMHSA-N 0 1 291.439 3.985 20 0 CHADMN COc1nccc(C)c1-c1cc(Cl)c(O)cc1F ZINC001245671675 1131122987 /nfs/dbraw/zinc/12/29/87/1131122987.db2.gz KRZBJVQMROOBQU-UHFFFAOYSA-N 0 1 267.687 3.564 20 0 CHADMN CCc1nc[nH]c1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001135680232 1131124266 /nfs/dbraw/zinc/12/42/66/1131124266.db2.gz ZTPYXRZHFSHQFP-UHFFFAOYSA-N 0 1 284.146 3.531 20 0 CHADMN Oc1ccc(-c2ccc(CN3C[C@@H]4C[C@@H]4[C@H](F)C3)cc2)cc1 ZINC001237657417 1131124729 /nfs/dbraw/zinc/12/47/29/1131124729.db2.gz JCVICOLUGKIOOH-YTQUADARSA-N 0 1 297.373 3.849 20 0 CHADMN CCc1n[nH]cc1CN(C)Cc1ccc2ccccc2c1 ZINC001237651954 1131125694 /nfs/dbraw/zinc/12/56/94/1131125694.db2.gz BZAOCWYGKSCWAC-UHFFFAOYSA-N 0 1 279.387 3.757 20 0 CHADMN COC[C@H]1CCN(Cc2cc(C)c(Cl)cc2Cl)C1 ZINC001237699417 1131129669 /nfs/dbraw/zinc/12/96/69/1131129669.db2.gz MBIQCDNTEORTEO-NSHDSACASA-N 0 1 288.218 3.770 20 0 CHADMN Cc1cc(C[N@H+](C)CC2(C)COC2)c(Cl)cc1Cl ZINC001237704443 1131130602 /nfs/dbraw/zinc/13/06/02/1131130602.db2.gz YOSYSNRMGBBMTL-UHFFFAOYSA-N 0 1 288.218 3.770 20 0 CHADMN Cc1cc(CN(C)CC2(C)COC2)c(Cl)cc1Cl ZINC001237704443 1131130604 /nfs/dbraw/zinc/13/06/04/1131130604.db2.gz YOSYSNRMGBBMTL-UHFFFAOYSA-N 0 1 288.218 3.770 20 0 CHADMN Cc1cc(CN2CC[C@@H](CO)[C@H]2C)c(Cl)cc1Cl ZINC001237703157 1131131319 /nfs/dbraw/zinc/13/13/19/1131131319.db2.gz YUZSZCXKQKURQN-MNOVXSKESA-N 0 1 288.218 3.505 20 0 CHADMN CO[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2Cl)[C@H](C)C1 ZINC001237706471 1131131346 /nfs/dbraw/zinc/13/13/46/1131131346.db2.gz VPIVCOQPKLKFAU-UKRRQHHQSA-N 0 1 281.827 3.956 20 0 CHADMN Cc1cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)ccc1OC(C)C ZINC001237721978 1131134189 /nfs/dbraw/zinc/13/41/89/1131134189.db2.gz LHWMYKCGIOWKMX-JYJNAYRXSA-N 0 1 277.383 3.572 20 0 CHADMN CC(C)c1ncc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)[nH]1 ZINC001116204868 1131134376 /nfs/dbraw/zinc/13/43/76/1131134376.db2.gz LROBNGHTWSJNQK-KCQAQPDRSA-N 0 1 289.423 3.574 20 0 CHADMN CCc1cc(CN2CCC(OC)CC2)ccc1Cl ZINC001237738035 1131134815 /nfs/dbraw/zinc/13/48/15/1131134815.db2.gz GLLXUNDXAOJJDV-UHFFFAOYSA-N 0 1 267.800 3.513 20 0 CHADMN Cc1c(Cl)cccc1CN1CC[C@H]2CCCO[C@@H]2C1 ZINC001237733726 1131135095 /nfs/dbraw/zinc/13/50/95/1131135095.db2.gz GMAFBFBGUBHJAK-CZUORRHYSA-N 0 1 279.811 3.649 20 0 CHADMN c1ccc([C@@H]2CCN2Cc2cccc3c2OCC3)cc1 ZINC001237750259 1131137613 /nfs/dbraw/zinc/13/76/13/1131137613.db2.gz ZSXLZXFGNAHKPJ-KRWDZBQOSA-N 0 1 265.356 3.569 20 0 CHADMN Cc1ccc(CN(C)Cc2cccc3c2OCC3)cc1 ZINC001237748376 1131137670 /nfs/dbraw/zinc/13/76/70/1131137670.db2.gz FCASLNOOTNLJRE-UHFFFAOYSA-N 0 1 267.372 3.562 20 0 CHADMN CCc1cc(CN2CC3(C2)CCOCC3)ccc1Cl ZINC001237744500 1131137981 /nfs/dbraw/zinc/13/79/81/1131137981.db2.gz MTZDVOLJWCQIRQ-UHFFFAOYSA-N 0 1 279.811 3.515 20 0 CHADMN c1ccc([C@H]2CCN2Cc2cccc3c2OCC3)cc1 ZINC001237750261 1131138006 /nfs/dbraw/zinc/13/80/06/1131138006.db2.gz ZSXLZXFGNAHKPJ-QGZVFWFLSA-N 0 1 265.356 3.569 20 0 CHADMN Fc1c(Cl)ccc(-c2cc3nc[nH]c3cn2)c1F ZINC001245736848 1131141076 /nfs/dbraw/zinc/14/10/76/1131141076.db2.gz NDEXPBWJLQTPKG-UHFFFAOYSA-N 0 1 265.650 3.557 20 0 CHADMN Cc1nc(C[N@@H+](Cc2ccccc2)C2CC2)ccc1F ZINC001237820794 1131144525 /nfs/dbraw/zinc/14/45/25/1131144525.db2.gz PLXGZAGGFKWGMA-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN Cc1nc(CN(Cc2ccccc2)C2CC2)ccc1F ZINC001237820794 1131144528 /nfs/dbraw/zinc/14/45/28/1131144528.db2.gz PLXGZAGGFKWGMA-UHFFFAOYSA-N 0 1 270.351 3.694 20 0 CHADMN COc1ccoc1C[N@@H+](C)CCc1ccccc1Cl ZINC001237874207 1131147104 /nfs/dbraw/zinc/14/71/04/1131147104.db2.gz JNADILCDKHYIEQ-UHFFFAOYSA-N 0 1 279.767 3.616 20 0 CHADMN COc1ccoc1CN(C)CCc1ccccc1Cl ZINC001237874207 1131147106 /nfs/dbraw/zinc/14/71/06/1131147106.db2.gz JNADILCDKHYIEQ-UHFFFAOYSA-N 0 1 279.767 3.616 20 0 CHADMN CCCOc1cc(F)ccc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237903816 1131149918 /nfs/dbraw/zinc/14/99/18/1131149918.db2.gz BZMLPFKDLGQVIQ-AEGPPILISA-N 0 1 281.346 3.547 20 0 CHADMN Clc1ccc(CN2CC[C@H]3CCCC[C@H]3C2)nc1 ZINC001116490291 1131150316 /nfs/dbraw/zinc/15/03/16/1131150316.db2.gz APZCJFQZOIAVIP-OLZOCXBDSA-N 0 1 264.800 3.747 20 0 CHADMN O=C(Cc1cc2c(ccc3ccccc23)o1)NOCC1CC1 ZINC000817367593 1131155469 /nfs/dbraw/zinc/15/54/69/1131155469.db2.gz GTKUSRWOLQSBPS-UHFFFAOYSA-N 0 1 295.338 3.586 20 0 CHADMN CCCN(C)Cc1csc(-c2cccc(F)c2)n1 ZINC001237977138 1131156458 /nfs/dbraw/zinc/15/64/58/1131156458.db2.gz XGCJYGHQOXEKHV-UHFFFAOYSA-N 0 1 264.369 3.791 20 0 CHADMN CC(C)n1ncc2c1[C@@H](N[C@H](C)c1cncs1)CCC2 ZINC001116604762 1131157228 /nfs/dbraw/zinc/15/72/28/1131157228.db2.gz UYORZZOHIXUQGZ-YPMHNXCESA-N 0 1 290.436 3.649 20 0 CHADMN Oc1c(F)cc(CN2CCCCC(F)(F)C2)cc1Cl ZINC001237985554 1131157620 /nfs/dbraw/zinc/15/76/20/1131157620.db2.gz ZJGZJXMLYIYZRN-UHFFFAOYSA-N 0 1 293.716 3.806 20 0 CHADMN CC(C)(C(=O)NOCCC1CC1)c1ccc2ccccc2c1 ZINC000817398979 1131157900 /nfs/dbraw/zinc/15/79/00/1131157900.db2.gz AIKIRNGBMNZCQB-UHFFFAOYSA-N 0 1 297.398 3.965 20 0 CHADMN CC1(F)CC[NH+](Cc2cc(F)c([O-])c(Cl)c2)CC1 ZINC001237983289 1131158755 /nfs/dbraw/zinc/15/87/55/1131158755.db2.gz GEINZIFYKQQKDQ-UHFFFAOYSA-N 0 1 275.726 3.509 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cc(F)c([O-])c(Cl)c2)[C@@H](C)C1 ZINC001237994549 1131159398 /nfs/dbraw/zinc/15/93/98/1131159398.db2.gz FBGXVXMCNLWVIY-ZJUUUORDSA-N 0 1 271.763 3.805 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CC3CCC2CC3)cc1Cl ZINC001237996659 1131159448 /nfs/dbraw/zinc/15/94/48/1131159448.db2.gz GWRQIFLEVJSXRB-UHFFFAOYSA-N 0 1 269.747 3.559 20 0 CHADMN C[C@]1(F)CCCN(Cc2n[nH]c3cc(Cl)ccc32)C1 ZINC001237994833 1131159717 /nfs/dbraw/zinc/15/97/17/1131159717.db2.gz ZZPGYKLOCZNLGN-AWEZNQCLSA-N 0 1 281.762 3.540 20 0 CHADMN C[C@@H](c1cccc(Cl)c1F)N1C[C@H]2CCC[C@@H](C1)C2O ZINC001116673765 1131160252 /nfs/dbraw/zinc/16/02/52/1131160252.db2.gz LUPOLOIGKORVOY-BHPQUYAUSA-N 0 1 297.801 3.633 20 0 CHADMN Cc1nc(F)ccc1CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000817412425 1131160779 /nfs/dbraw/zinc/16/07/79/1131160779.db2.gz KYBNUTWGFKZCCJ-NSHDSACASA-N 0 1 290.304 3.694 20 0 CHADMN Cc1ccc(Cl)c(CN2CCC[C@](C)(O)[C@H](C)C2)c1F ZINC001138030335 1131163402 /nfs/dbraw/zinc/16/34/02/1131163402.db2.gz BBXDWUZQAIDIIX-WBMJQRKESA-N 0 1 299.817 3.770 20 0 CHADMN COc1ccc(C(F)(F)F)c(CN2CCC[C@H]2C)c1 ZINC001238054364 1131165373 /nfs/dbraw/zinc/16/53/73/1131165373.db2.gz XIKLBENIHMDGJE-SNVBAGLBSA-N 0 1 273.298 3.698 20 0 CHADMN CN(Cc1cc(F)cc(Br)c1F)CC1CC1 ZINC001238077099 1131166168 /nfs/dbraw/zinc/16/61/68/1131166168.db2.gz VEAWTWRDBBBAKV-UHFFFAOYSA-N 0 1 290.151 3.569 20 0 CHADMN CCCCCC[N@@H+](C)CC(=O)Nc1ccc2cc[nH]c2c1 ZINC001116851330 1131166301 /nfs/dbraw/zinc/16/63/01/1131166301.db2.gz GEOJRPLQEIOMSE-UHFFFAOYSA-N 0 1 287.407 3.619 20 0 CHADMN CCCCCCN(C)CC(=O)Nc1ccc2cc[nH]c2c1 ZINC001116851330 1131166304 /nfs/dbraw/zinc/16/63/04/1131166304.db2.gz GEOJRPLQEIOMSE-UHFFFAOYSA-N 0 1 287.407 3.619 20 0 CHADMN CCOc1cc(C[N@@H+](CC)Cc2cccnc2)ccc1C ZINC001238071817 1131167975 /nfs/dbraw/zinc/16/79/75/1131167975.db2.gz MOLCMCSKIWGMKV-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN CCOc1cc(CN(CC)Cc2cccnc2)ccc1C ZINC001238071817 1131167978 /nfs/dbraw/zinc/16/79/78/1131167978.db2.gz MOLCMCSKIWGMKV-UHFFFAOYSA-N 0 1 284.403 3.811 20 0 CHADMN CC(C)N(C)Cc1cc(F)cc(Br)c1F ZINC001238077629 1131168764 /nfs/dbraw/zinc/16/87/64/1131168764.db2.gz YFMXPEYUDGNULV-UHFFFAOYSA-N 0 1 278.140 3.568 20 0 CHADMN FC(F)COc1ccc(Nc2ccc3c[nH]nc3c2)cc1 ZINC001159662886 1131169507 /nfs/dbraw/zinc/16/95/07/1131169507.db2.gz JYVUBIICYVWALH-UHFFFAOYSA-N 0 1 289.285 3.950 20 0 CHADMN Cc1ccc(O)cc1C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001238099273 1131170332 /nfs/dbraw/zinc/17/03/32/1131170332.db2.gz OKRSFFXHENHYON-LJQANCHMSA-N 0 1 297.398 3.744 20 0 CHADMN Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(O)ccc2C)cn1 ZINC001238102267 1131171339 /nfs/dbraw/zinc/17/13/39/1131171339.db2.gz GKFZIDYVONWXNZ-GOSISDBHSA-N 0 1 282.387 3.741 20 0 CHADMN CC1(C)CN([C@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170873199 1131172056 /nfs/dbraw/zinc/17/20/56/1131172056.db2.gz UFWOICVTAMYHSF-AWEZNQCLSA-N 0 1 294.236 3.648 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1Cl ZINC001238150032 1131174456 /nfs/dbraw/zinc/17/44/56/1131174456.db2.gz PPYGSVYCBZBDCN-YGRLFVJLSA-N 0 1 283.774 3.949 20 0 CHADMN Oc1cc(F)c(CN2CCc3sccc3C2)cc1Cl ZINC001238145031 1131174684 /nfs/dbraw/zinc/17/46/84/1131174684.db2.gz ASSLEOLPMYJJIP-UHFFFAOYSA-N 0 1 297.782 3.805 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C)[C@H](C)C1 ZINC001238142218 1131174700 /nfs/dbraw/zinc/17/47/00/1131174700.db2.gz PSIZMOQIYVHQHX-TZMCWYRMSA-N 0 1 275.392 3.561 20 0 CHADMN Cc1cc(CN[C@H](C)c2ccnc(Cl)c2)cc(C)n1 ZINC000817590166 1131175033 /nfs/dbraw/zinc/17/50/33/1131175033.db2.gz VBLWBGSQCVKZEL-GFCCVEGCSA-N 0 1 275.783 3.598 20 0 CHADMN Cc1cc(C(=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C)[C@@H](C)C1 ZINC001238142216 1131175155 /nfs/dbraw/zinc/17/51/55/1131175155.db2.gz PSIZMOQIYVHQHX-OCCSQVGLSA-N 0 1 275.392 3.561 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCC3(CCCC3)C2)cc1Cl ZINC001238151908 1131175857 /nfs/dbraw/zinc/17/58/57/1131175857.db2.gz JANBNXRJTULRFL-UHFFFAOYSA-N 0 1 283.774 3.951 20 0 CHADMN Cc1ncncc1CN(C)Cc1ccc2ccccc2c1 ZINC001238178181 1131176585 /nfs/dbraw/zinc/17/65/85/1131176585.db2.gz LAIQXKVRIVGQSK-UHFFFAOYSA-N 0 1 277.371 3.570 20 0 CHADMN Nc1ccnc(F)c1CN1CCC[C@@H](c2ccccc2)CC1 ZINC001238161754 1131176778 /nfs/dbraw/zinc/17/67/78/1131176778.db2.gz MTCQEDFSEIWUOL-OAHLLOKOSA-N 0 1 299.393 3.573 20 0 CHADMN Oc1cc(F)c(CN2CCC[C@H](C(F)F)C2)cc1Cl ZINC001238152070 1131176795 /nfs/dbraw/zinc/17/67/95/1131176795.db2.gz LKVQYZJHMUPKNS-QMMMGPOBSA-N 0 1 293.716 3.662 20 0 CHADMN CC(C)c1cc(CN2CC[C@@H](F)[C@@H](O)CC2)ccc1Cl ZINC001238220372 1131184036 /nfs/dbraw/zinc/18/40/36/1131184036.db2.gz UDTXJPMINIFUGQ-CVEARBPZSA-N 0 1 299.817 3.758 20 0 CHADMN CC(C)c1cc(CN2CC[C@H](O)C[C@@H]2C)ccc1Cl ZINC001238227338 1131184466 /nfs/dbraw/zinc/18/44/66/1131184466.db2.gz IBZMUEPMALFQOW-JSGCOSHPSA-N 0 1 281.827 3.809 20 0 CHADMN Cc1cc(CN2C[C@@H]3C[C@@H]3C2)c(C)cc1Br ZINC001238275226 1131188619 /nfs/dbraw/zinc/18/86/19/1131188619.db2.gz IWITXDZACPGKAH-BETUJISGSA-N 0 1 280.209 3.518 20 0 CHADMN Cc1cc(Cl)c(Cl)cc1CN1[C@@H](C)CC[C@H]1CO ZINC001238264163 1131186995 /nfs/dbraw/zinc/18/69/95/1131186995.db2.gz RIYSRSQYWRPACR-JQWIXIFHSA-N 0 1 288.218 3.647 20 0 CHADMN Cc1cc(Cl)c(Cl)cc1CN1CC[C@@H](CO)[C@H]1C ZINC001238261954 1131187541 /nfs/dbraw/zinc/18/75/41/1131187541.db2.gz FRFWCASBORVNCA-MNOVXSKESA-N 0 1 288.218 3.505 20 0 CHADMN CO[C@@H]1CCCN(Cc2cc(C)c(Cl)cc2F)CC1 ZINC001238303508 1131190120 /nfs/dbraw/zinc/19/01/20/1131190120.db2.gz OCSCHVIEGLJFOW-CYBMUJFWSA-N 0 1 285.790 3.788 20 0 CHADMN CO[C@H]1CCCN(Cc2cc(C)c(Cl)cc2F)CC1 ZINC001238303514 1131190266 /nfs/dbraw/zinc/19/02/66/1131190266.db2.gz OCSCHVIEGLJFOW-ZDUSSCGKSA-N 0 1 285.790 3.788 20 0 CHADMN CC(C)Oc1c(F)cccc1CN(C)C[C@H]1CCCCO1 ZINC001238330607 1131190784 /nfs/dbraw/zinc/19/07/84/1131190784.db2.gz WNTCHTDHDPDLDP-OAHLLOKOSA-N 0 1 295.398 3.614 20 0 CHADMN CC(C)Oc1c(F)cccc1CN1CCC[C@H](CF)C1 ZINC001238330011 1131190823 /nfs/dbraw/zinc/19/08/23/1131190823.db2.gz UVMYPAARGVCOEK-CYBMUJFWSA-N 0 1 283.362 3.794 20 0 CHADMN Cc1cc(CN2Cc3ccc(O)cc3C3(CC3)C2)c(C)o1 ZINC001117656772 1131190877 /nfs/dbraw/zinc/19/08/77/1131190877.db2.gz PAWVUGJMWGFCQE-UHFFFAOYSA-N 0 1 283.371 3.649 20 0 CHADMN CSC1CCN(Cc2cccc(F)c2OC(C)C)CC1 ZINC001238327742 1131191349 /nfs/dbraw/zinc/19/13/49/1131191349.db2.gz KCDKECFKKVGEEY-UHFFFAOYSA-N 0 1 297.439 3.940 20 0 CHADMN CC[C@H](N[C@@H](C)c1cnc(C)cn1)c1ccc(F)cc1 ZINC001117683633 1131192230 /nfs/dbraw/zinc/19/22/30/1131192230.db2.gz ZTLSUNKAIZYDLL-WFASDCNBSA-N 0 1 273.355 3.726 20 0 CHADMN Clc1cccc(N2CCCC2)c1CNC/C=C\C1CC1 ZINC001117722154 1131193709 /nfs/dbraw/zinc/19/37/09/1131193709.db2.gz MDOLNHKUFZJLBC-PLNGDYQASA-N 0 1 290.838 3.996 20 0 CHADMN CC(C)Oc1cccc(CN2CCC[C@H](F)CC2)c1F ZINC001238421218 1131197028 /nfs/dbraw/zinc/19/70/28/1131197028.db2.gz BSJXVAZWEZSKRO-AWEZNQCLSA-N 0 1 283.362 3.937 20 0 CHADMN Cc1cc(CN2CCC3(CCCC3)C2)ncc1Cl ZINC001238418739 1131197235 /nfs/dbraw/zinc/19/72/35/1131197235.db2.gz QVQSSDMHBLHFHT-UHFFFAOYSA-N 0 1 264.800 3.810 20 0 CHADMN Cc1cc(OCC[C@H]2CC2(Cl)Cl)cc(C)n1 ZINC000818079366 1131198313 /nfs/dbraw/zinc/19/83/13/1131198313.db2.gz FVMRIZUINLWZNQ-JTQLQIEISA-N 0 1 260.164 3.661 20 0 CHADMN CCc1ccccc1NC(=O)c1ccc(Cl)c(O)c1 ZINC001136104700 1131200096 /nfs/dbraw/zinc/20/00/96/1131200096.db2.gz OPKNKVFVWTZJPK-UHFFFAOYSA-N 0 1 275.735 3.860 20 0 CHADMN Cc1cnc(CN(Cc2ccccc2)C2CC2)c(C)c1 ZINC001238440992 1131201132 /nfs/dbraw/zinc/20/11/32/1131201132.db2.gz NEERYDCQRZHJML-UHFFFAOYSA-N 0 1 266.388 3.863 20 0 CHADMN CCN(Cc1nc(-c2ccc(C)cc2)no1)C(C)(C)C ZINC001117804290 1131201698 /nfs/dbraw/zinc/20/16/98/1131201698.db2.gz KEBGTXKHCOOKLF-UHFFFAOYSA-N 0 1 273.380 3.665 20 0 CHADMN CC(C)Oc1cc(CN2CCC(F)CC2)ccc1F ZINC001238454027 1131202724 /nfs/dbraw/zinc/20/27/24/1131202724.db2.gz IOVHPEAFXUOTEN-UHFFFAOYSA-N 0 1 269.335 3.547 20 0 CHADMN CCO[C@@H]1CCCN(Cc2ccc(OC(C)C)cc2F)C1 ZINC001238452484 1131202809 /nfs/dbraw/zinc/20/28/09/1131202809.db2.gz XUTBFDISTBZPFT-MRXNPFEDSA-N 0 1 295.398 3.614 20 0 CHADMN CC(C)Oc1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c(F)c1 ZINC001238449677 1131202987 /nfs/dbraw/zinc/20/29/87/1131202987.db2.gz LOFKEUQIGOTDNO-YDHLFZDLSA-N 0 1 281.346 3.545 20 0 CHADMN Fc1ccc(CN2CC(c3ccc(F)cc3)C2)cc1 ZINC001117868710 1131204964 /nfs/dbraw/zinc/20/49/64/1131204964.db2.gz QYLPILJJCZJMTA-UHFFFAOYSA-N 0 1 259.299 3.564 20 0 CHADMN Cc1ccc(OC(C)C)cc1CN1CCO[C@@H](C(C)C)C1 ZINC001238478931 1131206853 /nfs/dbraw/zinc/20/68/53/1131206853.db2.gz CJOPASUZOJAEDZ-GOSISDBHSA-N 0 1 291.435 3.639 20 0 CHADMN COc1cnc(CN2C3CCCC2CCC3)c(Cl)c1 ZINC001238488682 1131208409 /nfs/dbraw/zinc/20/84/09/1131208409.db2.gz AZHAFPYPYKURNM-UHFFFAOYSA-N 0 1 280.799 3.651 20 0 CHADMN Cc1c(Cl)ccc(CN2CCCC[C@](C)(O)C2)c1F ZINC001238512279 1131211394 /nfs/dbraw/zinc/21/13/94/1131211394.db2.gz MBSHTKKDABVENU-HNNXBMFYSA-N 0 1 285.790 3.524 20 0 CHADMN Cc1c(Cl)ccc(CN2CCC[C@@H]2C(C)(C)O)c1F ZINC001238517967 1131212099 /nfs/dbraw/zinc/21/20/99/1131212099.db2.gz MQRWEBUYVQDADL-CYBMUJFWSA-N 0 1 285.790 3.523 20 0 CHADMN Cc1cc(F)cc(Br)c1CN1CC[C@@H](C)C1 ZINC001238562697 1131216698 /nfs/dbraw/zinc/21/66/98/1131216698.db2.gz NDBDVXJAIKTDSY-SECBINFHSA-N 0 1 286.188 3.738 20 0 CHADMN CCN(Cc1scnc1Cl)C1CCCCC1 ZINC001137815925 1131418453 /nfs/dbraw/zinc/41/84/53/1131418453.db2.gz HQHVCIHNIFUCEL-UHFFFAOYSA-N 0 1 258.818 3.951 20 0 CHADMN Cc1ccc(Cl)c(CN2CC[C@@H]3CCCO[C@H]3C2)c1 ZINC001238566013 1131217010 /nfs/dbraw/zinc/21/70/10/1131217010.db2.gz YRIZHBJJPXSCPY-BBRMVZONSA-N 0 1 279.811 3.649 20 0 CHADMN CC(C)Oc1cc(CN(C)Cc2ccccc2)cnc1F ZINC001238591108 1131220581 /nfs/dbraw/zinc/22/05/81/1131220581.db2.gz WGPUVAMEPNIDAT-UHFFFAOYSA-N 0 1 288.366 3.640 20 0 CHADMN CC(C)Oc1cc(CN2CC[C@H](C)C[C@@H]2C)cnc1F ZINC001238599866 1131221855 /nfs/dbraw/zinc/22/18/55/1131221855.db2.gz LZRJNBWDIPKMSX-STQMWFEESA-N 0 1 280.387 3.628 20 0 CHADMN Cc1cc(CN2CC[C@H](C(F)(F)F)C2)cnc1C1CC1 ZINC001238617197 1131223098 /nfs/dbraw/zinc/22/30/98/1131223098.db2.gz IRBMHUHUYRCOCZ-ZDUSSCGKSA-N 0 1 284.325 3.652 20 0 CHADMN CCOc1cc(F)c(F)cc1CN1CCCC1(C)C ZINC001238651532 1131226097 /nfs/dbraw/zinc/22/60/97/1131226097.db2.gz DLOQHWNKIQZDAN-UHFFFAOYSA-N 0 1 269.335 3.738 20 0 CHADMN C[C@H]1CCCN1Cc1cc(-c2ccccc2)cnc1F ZINC001238656388 1131226828 /nfs/dbraw/zinc/22/68/28/1131226828.db2.gz AYXNFOLLFKGPFH-ZDUSSCGKSA-N 0 1 270.351 3.872 20 0 CHADMN c1ccc2c(c1)CN(Cc1cccc(-c3cncnc3)c1)C2 ZINC001137763366 1131413899 /nfs/dbraw/zinc/41/38/99/1131413899.db2.gz MOAAPLCYHWUMEW-UHFFFAOYSA-N 0 1 287.366 3.659 20 0 CHADMN C[C@H]1CC[C@H](N(C)Cc2cccnc2Br)CC1 ZINC001137803103 1131417882 /nfs/dbraw/zinc/41/78/82/1131417882.db2.gz UFUNGWHXPRLBOM-AULYBMBSSA-N 0 1 297.240 3.855 20 0 CHADMN C[C@H]1CCCCCN1Cc1cccnc1Br ZINC001137798137 1131418036 /nfs/dbraw/zinc/41/80/36/1131418036.db2.gz VCENAGITLAAWOG-NSHDSACASA-N 0 1 283.213 3.609 20 0 CHADMN Cc1ccc([C@@H](c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)C(C)C)cc1 ZINC000823199902 1131418096 /nfs/dbraw/zinc/41/80/96/1131418096.db2.gz JKAFOADWOAYCLW-WCVJEAGWSA-N 0 1 297.402 3.589 20 0 CHADMN CC/C(C)=C\C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000823267256 1131419661 /nfs/dbraw/zinc/41/96/61/1131419661.db2.gz SBJRCXGOHZGWFL-RNKPRXRFSA-N 0 1 291.782 3.750 20 0 CHADMN O[C@@H](CNC1(c2ccccc2Cl)CC1)c1ccccc1 ZINC000829475036 1131420448 /nfs/dbraw/zinc/42/04/48/1131420448.db2.gz AKZZGSUVYOGXQW-INIZCTEOSA-N 0 1 287.790 3.652 20 0 CHADMN CN(CCCc1ccccc1)Cc1ccnc(Cl)c1F ZINC000823404104 1131426035 /nfs/dbraw/zinc/42/60/35/1131426035.db2.gz LPTOKTBLZOZOGG-UHFFFAOYSA-N 0 1 292.785 3.939 20 0 CHADMN Cc1ccccc1[C@@H]1CCN(Cc2cc(F)ncc2F)C1 ZINC000823429286 1131426117 /nfs/dbraw/zinc/42/61/17/1131426117.db2.gz XYKLAMCAFJJZHG-CYBMUJFWSA-N 0 1 288.341 3.658 20 0 CHADMN CCCC[C@@](C)(F)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000829654611 1131428150 /nfs/dbraw/zinc/42/81/50/1131428150.db2.gz FOMZMDGICDYNPH-MRXNPFEDSA-N 0 1 298.377 3.744 20 0 CHADMN CSc1ccc(N(C)C(=O)c2cccc3nc[nH]c32)cc1 ZINC001136745126 1131432780 /nfs/dbraw/zinc/43/27/80/1131432780.db2.gz NICXMVOZHFTAQM-UHFFFAOYSA-N 0 1 297.383 3.561 20 0 CHADMN CCc1cc(CNC(=O)c2ccccc2C(C)(C)CC)n[nH]1 ZINC001136740771 1131433363 /nfs/dbraw/zinc/43/33/63/1131433363.db2.gz BAIZTFSUPWDOAE-UHFFFAOYSA-N 0 1 299.418 3.590 20 0 CHADMN Fc1ccc(CN2C[C@@H]3CCCC[C@H]3C2)c(F)c1F ZINC001137935882 1131438941 /nfs/dbraw/zinc/43/89/41/1131438941.db2.gz OLFGJLLGWZBASQ-QWRGUYRKSA-N 0 1 269.310 3.726 20 0 CHADMN C[C@H]1Cc2ccccc2[C@@H]1NCc1ccnc(Cl)c1F ZINC000823790328 1131443539 /nfs/dbraw/zinc/44/35/39/1131443539.db2.gz YDDLEJQTOJBRSE-ZUZCIYMTSA-N 0 1 290.769 3.897 20 0 CHADMN Cc1cc(CCC(=O)N[C@@H](CCC(C)C)C(C)(C)C)n[nH]1 ZINC001136794209 1131445415 /nfs/dbraw/zinc/44/54/15/1131445415.db2.gz GGWVHXAGLWOMLX-HNNXBMFYSA-N 0 1 293.455 3.618 20 0 CHADMN C[C@@H]1CC[C@H](NC(=O)c2ccc(Cl)c(O)c2)[C@@H](C)C1 ZINC001136800030 1131447395 /nfs/dbraw/zinc/44/73/95/1131447395.db2.gz KIYZKWKQQMMFSI-NRUUGDAUSA-N 0 1 281.783 3.600 20 0 CHADMN CCCCCC[C@@H](C)CC(=O)N(C)Cc1cn[nH]c1C ZINC000824051278 1131452293 /nfs/dbraw/zinc/45/22/93/1131452293.db2.gz UDEMVUAGLSRFRG-CYBMUJFWSA-N 0 1 279.428 3.673 20 0 CHADMN CN(Cc1ccnc(Cl)c1F)C[C@H]1CC=CCC1 ZINC000824148073 1131456069 /nfs/dbraw/zinc/45/60/69/1131456069.db2.gz SXYBOCKINJFHDS-NSHDSACASA-N 0 1 268.763 3.662 20 0 CHADMN Cn1nc(C2CC2)cc1CN[C@H]1CCCc2sccc21 ZINC000824180938 1131457500 /nfs/dbraw/zinc/45/75/00/1131457500.db2.gz IXZHLSLLQRAKNP-AWEZNQCLSA-N 0 1 287.432 3.526 20 0 CHADMN Clc1cccc2c1CC[C@H](N1CCc3ncccc3C1)C2 ZINC001171049146 1131457927 /nfs/dbraw/zinc/45/79/27/1131457927.db2.gz FLYPEUZHBWBIQN-HNNXBMFYSA-N 0 1 298.817 3.651 20 0 CHADMN CC(C)[C@H]1COCCN1[C@H]1CCc2c(Cl)cccc2C1 ZINC001171049870 1131458816 /nfs/dbraw/zinc/45/88/16/1131458816.db2.gz NPLSQDQQMLCXSY-WMLDXEAASA-N 0 1 293.838 3.554 20 0 CHADMN CC(C)[C@@H](CC(F)(F)F)NCc1ccnc(Cl)c1F ZINC000824242208 1131460851 /nfs/dbraw/zinc/46/08/51/1131460851.db2.gz KGWDEXNZPUIFCQ-SECBINFHSA-N 0 1 298.711 3.941 20 0 CHADMN CCN(CC)Cc1cc(Br)c(F)cc1F ZINC001136849224 1131461938 /nfs/dbraw/zinc/46/19/38/1131461938.db2.gz CGJSFASCTNVJIQ-UHFFFAOYSA-N 0 1 278.140 3.569 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3cc(F)ccc3C(F)(F)F)C[C@@H]21 ZINC001138092466 1131463150 /nfs/dbraw/zinc/46/31/50/1131463150.db2.gz JLZYAXOYOKNRAB-BETUJISGSA-N 0 1 287.300 3.932 20 0 CHADMN Fc1ccc(C(F)(F)F)c(CN2CCCC23CC3)c1 ZINC001138087359 1131463468 /nfs/dbraw/zinc/46/34/68/1131463468.db2.gz BWZGFLIRLSYPHB-UHFFFAOYSA-N 0 1 273.273 3.973 20 0 CHADMN CC[C@@H](C)[C@H](C)NC(=O)c1cccc(C(F)(F)F)c1O ZINC001136854583 1131464011 /nfs/dbraw/zinc/46/40/11/1131464011.db2.gz CPLRUZCWWRELDO-BDAKNGLRSA-N 0 1 289.297 3.575 20 0 CHADMN O=C1CCN(Cc2ccc3ncccc3c2)[C@@H]2CCCC[C@H]12 ZINC001138103506 1131464450 /nfs/dbraw/zinc/46/44/50/1131464450.db2.gz DXQYXQQORREAFP-FUHWJXTLSA-N 0 1 294.398 3.568 20 0 CHADMN Cc1ccc(F)c(CN2CCC3(CCOCC3)CC2)c1F ZINC001138119659 1131469013 /nfs/dbraw/zinc/46/90/13/1131469013.db2.gz NQLYLXGVCWFVDL-UHFFFAOYSA-N 0 1 295.373 3.666 20 0 CHADMN CN(Cc1cnc[nH]1)Cc1sc2ccccc2c1Cl ZINC001136871933 1131469504 /nfs/dbraw/zinc/46/95/04/1131469504.db2.gz UZZAHOPSCITKGX-UHFFFAOYSA-N 0 1 291.807 3.910 20 0 CHADMN Clc1ncc(CN2CCCC[C@H]2C2CCC2)s1 ZINC000830989420 1131474336 /nfs/dbraw/zinc/47/43/36/1131474336.db2.gz UYOPFXVSVIUVGE-LBPRGKRZSA-N 0 1 270.829 3.951 20 0 CHADMN CC(C)(C)Oc1cccc(CN2CCCCC23CC3)n1 ZINC001138283935 1131485865 /nfs/dbraw/zinc/48/58/65/1131485865.db2.gz RQMNAIBONGVFPN-UHFFFAOYSA-N 0 1 274.408 3.777 20 0 CHADMN CN1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC001138282064 1131485988 /nfs/dbraw/zinc/48/59/88/1131485988.db2.gz ZYOHIJAXCFGSMG-BZUAXINKSA-N 0 1 294.483 3.582 20 0 CHADMN CCc1cccc2c(CN3CC4(C3)CC(F)(F)C4)c[nH]c21 ZINC001138359906 1131493778 /nfs/dbraw/zinc/49/37/78/1131493778.db2.gz LNPGUBVJSULZII-UHFFFAOYSA-N 0 1 290.357 3.961 20 0 CHADMN CCc1cccc2c(CN(C)Cc3ccccn3)c[nH]c21 ZINC001138360492 1131495344 /nfs/dbraw/zinc/49/53/44/1131495344.db2.gz ZFXOUXQPPSFJGC-UHFFFAOYSA-N 0 1 279.387 3.757 20 0 CHADMN CCc1cccc2c(CN3C[C@@H]4C[C@@H]4[C@H](F)C3)c[nH]c21 ZINC001138361088 1131495411 /nfs/dbraw/zinc/49/54/11/1131495411.db2.gz MZAXACWTMNLINW-VBNZEHGJSA-N 0 1 272.367 3.520 20 0 CHADMN CCc1nc(CNCCCCCOc2ccccc2)co1 ZINC000825062509 1131496866 /nfs/dbraw/zinc/49/68/66/1131496866.db2.gz YWTFFNIIRKECKV-UHFFFAOYSA-N 0 1 288.391 3.576 20 0 CHADMN Cc1c2ccccc2[nH]c1CN1CC[C@@H](C(F)(F)F)C1 ZINC001138401139 1131499209 /nfs/dbraw/zinc/49/92/09/1131499209.db2.gz BWKDALWFFMUFII-LLVKDONJSA-N 0 1 282.309 3.861 20 0 CHADMN Cc1c2cc(F)ccc2[nH]c1CN1C[C@@H](C)C[C@H]1CF ZINC001138410211 1131499887 /nfs/dbraw/zinc/49/98/87/1131499887.db2.gz VZVWUAGJCBIVCW-GWCFXTLKSA-N 0 1 278.346 3.795 20 0 CHADMN Cc1c2cc(F)ccc2[nH]c1CN(C)C1CC(F)(F)C1 ZINC001138411457 1131499940 /nfs/dbraw/zinc/49/99/40/1131499940.db2.gz ODXPCFJOTKWXBK-UHFFFAOYSA-N 0 1 282.309 3.845 20 0 CHADMN Cc1ccc2[nH]c(CN3C[C@H]4CC[C@@H](C3)C4(F)F)cc2c1 ZINC001138415185 1131500977 /nfs/dbraw/zinc/50/09/77/1131500977.db2.gz AFIBQIQENLOPQP-OKILXGFUSA-N 0 1 290.357 3.953 20 0 CHADMN COc1c(F)cc(CN2CCC[C@@H]3CCC[C@H]32)cc1F ZINC001138425517 1131503974 /nfs/dbraw/zinc/50/39/74/1131503974.db2.gz WDWFOILSNOLBBW-SWLSCSKDSA-N 0 1 281.346 3.738 20 0 CHADMN COc1cc(C)c(CN2CCCC[C@](C)(F)C2)cc1OC ZINC001138435382 1131504641 /nfs/dbraw/zinc/50/46/41/1131504641.db2.gz GIUJIQMSGBMIQZ-KRWDZBQOSA-N 0 1 295.398 3.726 20 0 CHADMN Cc1nc2ccc(Nc3c(F)cccc3F)cc2[nH]1 ZINC001213073593 1131509543 /nfs/dbraw/zinc/50/95/43/1131509543.db2.gz SBQNYTONFCWKPC-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN COc1ccc2[nH]cc(CN3CCCC[C@@H](F)C3)c2c1 ZINC001138503659 1131513107 /nfs/dbraw/zinc/51/31/07/1131513107.db2.gz IGJZMBLTTVCMGC-CYBMUJFWSA-N 0 1 276.355 3.501 20 0 CHADMN CCc1coc(CN[C@H]2CCc3cc(Cl)ccc3C2)n1 ZINC001171092093 1131515002 /nfs/dbraw/zinc/51/50/02/1131515002.db2.gz UNKORJLLBRKEEN-HNNXBMFYSA-N 0 1 290.794 3.538 20 0 CHADMN FC(F)(F)Oc1cc(CN2C[C@@H]3C[C@@H]3C2)ccc1Cl ZINC001143356790 1131515668 /nfs/dbraw/zinc/51/56/68/1131515668.db2.gz HJLSJADSFVMMCK-AOOOYVTPSA-N 0 1 291.700 3.690 20 0 CHADMN CCCc1ccc(CN2CCc3cc(O)ccc3C2)s1 ZINC001138524876 1131516549 /nfs/dbraw/zinc/51/65/49/1131516549.db2.gz CFPNCJJPVPEGSX-UHFFFAOYSA-N 0 1 287.428 3.965 20 0 CHADMN CC/C(C)=C\C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831884724 1131517287 /nfs/dbraw/zinc/51/72/87/1131517287.db2.gz JWNSFMSWPZNFRP-XXYUJHKVSA-N 0 1 289.423 3.595 20 0 CHADMN C/C=C(/CC)C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831892699 1131517867 /nfs/dbraw/zinc/51/78/67/1131517867.db2.gz PLUYZGPSMSWRAD-UUSOHVMFSA-N 0 1 289.423 3.595 20 0 CHADMN COc1ccc(F)c(CN2C[C@H](C)C[C@H](C)C2)c1Cl ZINC001143371326 1131518664 /nfs/dbraw/zinc/51/86/64/1131518664.db2.gz OFWLMKSWCQWAAY-PHIMTYICSA-N 0 1 285.790 3.966 20 0 CHADMN Cc1nccn1-c1ccc(CN2Cc3ccccc3C2)cc1 ZINC001138543575 1131519102 /nfs/dbraw/zinc/51/91/02/1131519102.db2.gz PMLQKHSFKBACSY-UHFFFAOYSA-N 0 1 289.382 3.697 20 0 CHADMN Cc1[nH]nc2ccc(Nc3ccc(C)c(C)c3N)cc12 ZINC001160376850 1131519339 /nfs/dbraw/zinc/51/93/39/1131519339.db2.gz CUVNZUQJTYEHAJ-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN CO[C@H]1CCCN(Cc2cc(C)ccc2C(F)(F)F)C1 ZINC001143670063 1131523459 /nfs/dbraw/zinc/52/34/59/1131523459.db2.gz FWQXVKPMRWNNEU-ZDUSSCGKSA-N 0 1 287.325 3.625 20 0 CHADMN CC(=O)CCN1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000831981138 1131524602 /nfs/dbraw/zinc/52/46/02/1131524602.db2.gz BDMBIMSZDLCYLI-HNNXBMFYSA-N 0 1 265.784 3.846 20 0 CHADMN FC1(F)CCN(Cc2ccccc2N2CCCC2)CC1 ZINC001138609876 1131526017 /nfs/dbraw/zinc/52/60/17/1131526017.db2.gz HZERVMMZGPPHCN-UHFFFAOYSA-N 0 1 280.362 3.518 20 0 CHADMN CCOc1c(F)cc(CN2CC[C@H](C)C2)cc1Cl ZINC001143734530 1131526245 /nfs/dbraw/zinc/52/62/45/1131526245.db2.gz QYODAELUQLZBBS-JTQLQIEISA-N 0 1 271.763 3.720 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2C)C1 ZINC001143767741 1131530361 /nfs/dbraw/zinc/53/03/61/1131530361.db2.gz JWVDRAKAQVSWGZ-GFCCVEGCSA-N 0 1 253.336 3.895 20 0 CHADMN CCCn1ncc(CN(CC)Cc2ccccc2)c1C ZINC001138637034 1131530599 /nfs/dbraw/zinc/53/05/99/1131530599.db2.gz UNXZIQBMOKCMIO-UHFFFAOYSA-N 0 1 271.408 3.624 20 0 CHADMN Cc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC001143767701 1131530936 /nfs/dbraw/zinc/53/09/36/1131530936.db2.gz IDNQCORKOBRLHN-GHMZBOCLSA-N 0 1 253.336 3.894 20 0 CHADMN CCCn1ncc(CN(C)Cc2ccc(CC)cc2)c1C ZINC001138640382 1131531011 /nfs/dbraw/zinc/53/10/11/1131531011.db2.gz OZKPUMZRZUMUJK-UHFFFAOYSA-N 0 1 285.435 3.796 20 0 CHADMN CCCn1ncc(CN2CCC[C@@H]2c2ccc(C)nc2)c1C ZINC001138640631 1131531757 /nfs/dbraw/zinc/53/17/57/1131531757.db2.gz ZVYPAYONHQPKGV-GOSISDBHSA-N 0 1 298.434 3.642 20 0 CHADMN Clc1[nH]c2ccccc2c1CN1CCC[C@]2(CCO2)C1 ZINC001138687292 1131536960 /nfs/dbraw/zinc/53/69/60/1131536960.db2.gz DBCUTCABDBPYQT-INIZCTEOSA-N 0 1 290.794 3.576 20 0 CHADMN CC(=O)[C@@H]1CCCN(Cc2c(Cl)[nH]c3ccccc32)C1 ZINC001138687519 1131536974 /nfs/dbraw/zinc/53/69/74/1131536974.db2.gz IFMMZZPLYHKDAZ-GFCCVEGCSA-N 0 1 290.794 3.622 20 0 CHADMN CSc1ncc(C[N@H+]2CC[C@H](C3CCCCC3)C2)cn1 ZINC001138710182 1131539310 /nfs/dbraw/zinc/53/93/10/1131539310.db2.gz ZHYREYRMBJCICI-HNNXBMFYSA-N 0 1 291.464 3.601 20 0 CHADMN Cc1cccc(Cl)c1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC001138719988 1131541162 /nfs/dbraw/zinc/54/11/62/1131541162.db2.gz LJKJWRWZUQDZMC-ZDUSSCGKSA-N 0 1 267.800 3.649 20 0 CHADMN Cc1cccc(Cl)c1CN(C)C[C@@H]1CCCCO1 ZINC001138719988 1131541165 /nfs/dbraw/zinc/54/11/65/1131541165.db2.gz LJKJWRWZUQDZMC-ZDUSSCGKSA-N 0 1 267.800 3.649 20 0 CHADMN COc1cc(C)c(CN2CCn3cccc3[C@H]2C)c(C)c1C ZINC001138724541 1131542508 /nfs/dbraw/zinc/54/25/08/1131542508.db2.gz HUHQCUIRTRVVEY-MRXNPFEDSA-N 0 1 298.430 3.999 20 0 CHADMN CC[C@H]1CCCN1Cc1cc(Cl)cc(OC)c1OC ZINC001138745973 1131544948 /nfs/dbraw/zinc/54/49/48/1131544948.db2.gz BBFLWRHGIVFHML-ZDUSSCGKSA-N 0 1 283.799 3.732 20 0 CHADMN CN(Cc1ccc(Cl)cc1)Cc1cnc2[nH]ccc2c1 ZINC001138741445 1131545003 /nfs/dbraw/zinc/54/50/03/1131545003.db2.gz UYGPLOXBIUKEHT-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CCCCc1ccc(CN2CCOC[C@H]2C2CC2)s1 ZINC001138754582 1131545697 /nfs/dbraw/zinc/54/56/97/1131545697.db2.gz GNEQRVAZMHRMMJ-INIZCTEOSA-N 0 1 279.449 3.702 20 0 CHADMN O[C@H](CCN1CC2(CCC2)[C@@H]1c1ccco1)c1ccccc1 ZINC000832237673 1131550266 /nfs/dbraw/zinc/55/02/66/1131550266.db2.gz VQLTWYWAFSIYBT-AEFFLSMTSA-N 0 1 297.398 3.930 20 0 CHADMN c1cc2cccc(CN3CC=C(c4ccccc4)CC3)n2n1 ZINC001138808486 1131550988 /nfs/dbraw/zinc/55/09/88/1131550988.db2.gz XQFLFYCADZEHLH-UHFFFAOYSA-N 0 1 289.382 3.624 20 0 CHADMN c1cc2cc(CN3CCC[C@@H]3c3cnccn3)ccc2o1 ZINC001138824165 1131552143 /nfs/dbraw/zinc/55/21/43/1131552143.db2.gz AUEFVNGTZOLWSD-MRXNPFEDSA-N 0 1 279.343 3.560 20 0 CHADMN COc1ccc(CN2CCC[C@H](C)[C@H]2C)c(F)c1F ZINC001143910774 1131552760 /nfs/dbraw/zinc/55/27/60/1131552760.db2.gz MAMTZARWWDYRKJ-WDEREUQCSA-N 0 1 269.335 3.594 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ccc(OC)c(F)c1F ZINC001143915087 1131553733 /nfs/dbraw/zinc/55/37/33/1131553733.db2.gz UHGBEGAYZQRFRF-GFCCVEGCSA-N 0 1 269.335 3.738 20 0 CHADMN COc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C)c(F)c1F ZINC001143914641 1131554441 /nfs/dbraw/zinc/55/44/41/1131554441.db2.gz ASWQHTIVVJSUQT-GHMZBOCLSA-N 0 1 269.335 3.594 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H]3CCC[C@@H]3C2)cs1 ZINC001138883532 1131556425 /nfs/dbraw/zinc/55/64/25/1131556425.db2.gz PVMGVCVODWBEGM-QWHCGFSZSA-N 0 1 264.438 3.889 20 0 CHADMN Fc1ccc(-c2n[nH]cc2CN2CCCC[C@@H](F)C2)cc1 ZINC001138879252 1131557062 /nfs/dbraw/zinc/55/70/62/1131557062.db2.gz YVNBUDDPYBNADC-OAHLLOKOSA-N 0 1 291.345 3.540 20 0 CHADMN CCOc1ccc(F)c(CN2C[C@H]3CCC[C@@H]3C2)c1F ZINC001143930262 1131558137 /nfs/dbraw/zinc/55/81/37/1131558137.db2.gz DKMOTMIUDCOEQU-VXGBXAGGSA-N 0 1 281.346 3.595 20 0 CHADMN Cc1cnc(CN2CCCC[C@@H]2Cc2ccccc2F)cn1 ZINC000844413412 1131560161 /nfs/dbraw/zinc/56/01/61/1131560161.db2.gz HZQVOHJJEHZPAP-QGZVFWFLSA-N 0 1 299.393 3.521 20 0 CHADMN Cn1c2ccccc2c2cc(CN3CC[C@H](F)C3)ccc21 ZINC001138916799 1131560230 /nfs/dbraw/zinc/56/02/30/1131560230.db2.gz PBYMLVKTRFYDEM-AWEZNQCLSA-N 0 1 282.362 3.875 20 0 CHADMN CCOCC1CCN(Cc2ccccc2OC(F)F)CC1 ZINC001138911433 1131560496 /nfs/dbraw/zinc/56/04/96/1131560496.db2.gz UBPLWZKNKHOBIS-UHFFFAOYSA-N 0 1 299.361 3.537 20 0 CHADMN CCC(=O)Oc1ccc(CN(C)Cc2ccsc2)cc1 ZINC001138966783 1131566482 /nfs/dbraw/zinc/56/64/82/1131566482.db2.gz SLOCLFNEHMTUMG-UHFFFAOYSA-N 0 1 289.400 3.696 20 0 CHADMN CCOc1ccc(Br)cc1CN1CC[C@@H](C)C1 ZINC001138991443 1131569668 /nfs/dbraw/zinc/56/96/68/1131569668.db2.gz VCFAFVIUCAQEIJ-LLVKDONJSA-N 0 1 298.224 3.690 20 0 CHADMN CCOc1ccc(Cl)cc1CN1CC[C@@H](OC)C[C@H]1C ZINC001139012392 1131572083 /nfs/dbraw/zinc/57/20/83/1131572083.db2.gz OMIKPYVNLCUDRS-IUODEOHRSA-N 0 1 297.826 3.738 20 0 CHADMN COC(CN(C)Cc1ccc(-c2cccs2)s1)OC ZINC001139023757 1131574129 /nfs/dbraw/zinc/57/41/29/1131574129.db2.gz XTHKOWQPFRYHSM-UHFFFAOYSA-N 0 1 297.445 3.527 20 0 CHADMN CCOc1c(F)cc(CN2CCC(C)(C)C2)cc1F ZINC001144028321 1131574365 /nfs/dbraw/zinc/57/43/65/1131574365.db2.gz ZUZPXIFJZFXJSI-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN CN(Cc1c(F)cc(Cl)cc1F)C1CCCC1 ZINC001139051491 1131576226 /nfs/dbraw/zinc/57/62/26/1131576226.db2.gz QNVMGKXLXOMWCV-UHFFFAOYSA-N 0 1 259.727 3.993 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cc3ccccc3o1)CC2 ZINC001139060450 1131576768 /nfs/dbraw/zinc/57/67/68/1131576768.db2.gz CMCNAYLTNIDXGN-UHFFFAOYSA-N 0 1 293.366 4.000 20 0 CHADMN Oc1ccc2c(c1)CCN(Cc1cc3ccccc3o1)C2 ZINC001139061268 1131577315 /nfs/dbraw/zinc/57/73/15/1131577315.db2.gz OKYSHUVTKBLRCC-UHFFFAOYSA-N 0 1 279.339 3.697 20 0 CHADMN CC1(C)CN(Cc2cc3ccccc3o2)CC(C)(C)O1 ZINC001139064059 1131578294 /nfs/dbraw/zinc/57/82/94/1131578294.db2.gz LYNQWZPDCPGJES-UHFFFAOYSA-N 0 1 273.376 3.822 20 0 CHADMN CC(C)(C)C[C@H]1CCN(Cc2nnc(C(C)(C)C)o2)C1 ZINC000832726640 1131580947 /nfs/dbraw/zinc/58/09/47/1131580947.db2.gz BYRPDQKWBRCPOH-GFCCVEGCSA-N 0 1 279.428 3.625 20 0 CHADMN CCn1ccc2ccc(CN(C)Cc3ccncc3)cc21 ZINC001139119267 1131583504 /nfs/dbraw/zinc/58/35/04/1131583504.db2.gz JBLDERYZHZWSAQ-UHFFFAOYSA-N 0 1 279.387 3.688 20 0 CHADMN CCn1ccc2c1cccc2CN1CCC[C@@H](F)C1 ZINC001139153031 1131586465 /nfs/dbraw/zinc/58/64/65/1131586465.db2.gz CAJZBXYZDRUHIN-CQSZACIVSA-N 0 1 260.356 3.595 20 0 CHADMN Cc1cccc2[nH]cc(CN3CC[C@@H](C)[C@H](F)C3)c21 ZINC001139191879 1131593317 /nfs/dbraw/zinc/59/33/17/1131593317.db2.gz FIQZLCOUYYUAKB-BXUZGUMPSA-N 0 1 260.356 3.656 20 0 CHADMN CN(Cc1cccc(Cl)c1)Cc1ccc2cc[nH]c2n1 ZINC001144177606 1131593656 /nfs/dbraw/zinc/59/36/56/1131593656.db2.gz UEGSVDASVPOTRT-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN Cc1nc2c(s1)CN(Cc1ccc3c(ccn3C)c1)CC2 ZINC001139190849 1131593894 /nfs/dbraw/zinc/59/38/94/1131593894.db2.gz ZRBHYSXGBIVXLI-UHFFFAOYSA-N 0 1 297.427 3.502 20 0 CHADMN C[C@H]1CCN(Cc2[nH]nc3ccc(F)cc32)CCC1(F)F ZINC001144190750 1131595495 /nfs/dbraw/zinc/59/54/95/1131595495.db2.gz AKGLPOMHGSYXQQ-JTQLQIEISA-N 0 1 297.324 3.569 20 0 CHADMN C[C@H]1CCN(Cc2n[nH]c3ccc(F)cc32)CCC1(F)F ZINC001144190750 1131595497 /nfs/dbraw/zinc/59/54/97/1131595497.db2.gz AKGLPOMHGSYXQQ-JTQLQIEISA-N 0 1 297.324 3.569 20 0 CHADMN Fc1ccc2n[nH]c(CN3CCC[C@@H]4CCCC[C@@H]43)c2c1 ZINC001144199647 1131595566 /nfs/dbraw/zinc/59/55/66/1131595566.db2.gz PVAUMFMIAVOPNZ-SJCJKPOMSA-N 0 1 287.382 3.857 20 0 CHADMN Fc1ccc2[nH]nc(CN3CCC[C@@H]4CCCC[C@@H]43)c2c1 ZINC001144199647 1131595568 /nfs/dbraw/zinc/59/55/68/1131595568.db2.gz PVAUMFMIAVOPNZ-SJCJKPOMSA-N 0 1 287.382 3.857 20 0 CHADMN Fc1ccc2n[nH]c(CN(Cc3ccccc3)C3CC3)c2c1 ZINC001144201507 1131595649 /nfs/dbraw/zinc/59/56/49/1131595649.db2.gz BMWOKVZZMPRFCR-UHFFFAOYSA-N 0 1 295.361 3.867 20 0 CHADMN CN(Cc1ccc(Cl)nc1)Cc1ccc2ccn(C)c2c1 ZINC001139206457 1131596288 /nfs/dbraw/zinc/59/62/88/1131596288.db2.gz BADCZTYQBRBFPG-UHFFFAOYSA-N 0 1 299.805 3.859 20 0 CHADMN c1cc2ccc(CN3CC[C@H]3c3ccccc3)nc2[nH]1 ZINC001144186346 1131597057 /nfs/dbraw/zinc/59/70/57/1131597057.db2.gz VDSOYFZRETVKTN-INIZCTEOSA-N 0 1 263.344 3.510 20 0 CHADMN C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc2nsnc2c1 ZINC001139215245 1131597084 /nfs/dbraw/zinc/59/70/84/1131597084.db2.gz LYPDPZSLSPXDOY-LBPRGKRZSA-N 0 1 295.411 3.638 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1ccc2nsnc2c1 ZINC001139215245 1131597086 /nfs/dbraw/zinc/59/70/86/1131597086.db2.gz LYPDPZSLSPXDOY-LBPRGKRZSA-N 0 1 295.411 3.638 20 0 CHADMN Cc1ncccc1C[N@H+](C)Cc1ccc2ccn(C)c2c1 ZINC001139208291 1131598109 /nfs/dbraw/zinc/59/81/09/1131598109.db2.gz SOXSNBRSXZLBGB-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN Cc1ncccc1CN(C)Cc1ccc2ccn(C)c2c1 ZINC001139208291 1131598116 /nfs/dbraw/zinc/59/81/16/1131598116.db2.gz SOXSNBRSXZLBGB-UHFFFAOYSA-N 0 1 279.387 3.514 20 0 CHADMN C[C@H]1CCN(Cc2[nH]c(-c3ccccc3)nc2Cl)C1 ZINC001139280209 1131600443 /nfs/dbraw/zinc/60/04/43/1131600443.db2.gz XZLVRYPVMKCKCS-NSHDSACASA-N 0 1 275.783 3.572 20 0 CHADMN Clc1nc(-c2ccccc2)[nH]c1CN1CC2CC(C2)C1 ZINC001139285643 1131600732 /nfs/dbraw/zinc/60/07/32/1131600732.db2.gz ZEBNGTNTZLXGPO-UHFFFAOYSA-N 0 1 287.794 3.572 20 0 CHADMN COc1cccc([C@@H]2CCCCN2Cc2ccc(O)cn2)c1 ZINC001144258853 1131606423 /nfs/dbraw/zinc/60/64/23/1131606423.db2.gz FKAWOPXYXNMSKL-SFHVURJKSA-N 0 1 298.386 3.523 20 0 CHADMN Oc1ccc(C[N@H+]2CCCC[C@H]2c2ccccc2)nc1 ZINC001144252934 1131607032 /nfs/dbraw/zinc/60/70/32/1131607032.db2.gz FBEMVUDTQDNNHV-KRWDZBQOSA-N 0 1 268.360 3.514 20 0 CHADMN Clc1ccc(-c2ccc(CN3CC=CC3)o2)cc1 ZINC001139415308 1131607641 /nfs/dbraw/zinc/60/76/41/1131607641.db2.gz UKHQLIYONFMJRC-UHFFFAOYSA-N 0 1 259.736 3.972 20 0 CHADMN CCc1ccc(NC(=O)Nc2ncc(Cl)cc2O)cc1 ZINC001202934434 1131608050 /nfs/dbraw/zinc/60/80/50/1131608050.db2.gz LTEMNCWUHRTMDW-UHFFFAOYSA-N 0 1 291.738 3.647 20 0 CHADMN CN(Cc1ccc(-c2ccccc2)nc1)C[C@@H]1CCCCO1 ZINC001139517978 1131612214 /nfs/dbraw/zinc/61/22/14/1131612214.db2.gz IMJHLXVTYKOUHG-SFHVURJKSA-N 0 1 296.414 3.750 20 0 CHADMN CC(C)(C)OC(=O)n1cc(CN2CCC2)c2ccccc21 ZINC001139525600 1131613808 /nfs/dbraw/zinc/61/38/08/1131613808.db2.gz CVBYPTMHLLDPOH-UHFFFAOYSA-N 0 1 286.375 3.630 20 0 CHADMN Cc1cc(CN2CC[C@@H](C)C(F)(F)CC2)cnc1Cl ZINC001139541218 1131614402 /nfs/dbraw/zinc/61/44/02/1131614402.db2.gz OPPDWRBGQRBTIB-LLVKDONJSA-N 0 1 288.769 3.911 20 0 CHADMN Cc1cnc(Cl)c(CN2C[C@H]3[C@H](CCC3(F)F)C2)c1 ZINC001139588697 1131618498 /nfs/dbraw/zinc/61/84/98/1131618498.db2.gz SLTJHDOXEWLUKL-PWSUYJOCSA-N 0 1 286.753 3.521 20 0 CHADMN Cc1nc(CN2CCC3(CC[C@@H](F)C3)CC2)sc1C ZINC001144378653 1131621170 /nfs/dbraw/zinc/62/11/70/1131621170.db2.gz WWGBWRJDXXLLOQ-CYBMUJFWSA-N 0 1 282.428 3.864 20 0 CHADMN COc1ccncc1CN1CCC(c2cccs2)CC1 ZINC001139608924 1131621250 /nfs/dbraw/zinc/62/12/50/1131621250.db2.gz UILWCKAXASNALC-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN CC1(C)CCN(Cc2ccc(O)cc2C(F)(F)F)C1 ZINC001144385636 1131623293 /nfs/dbraw/zinc/62/32/93/1131623293.db2.gz CDHQUQYUYRELRR-UHFFFAOYSA-N 0 1 273.298 3.643 20 0 CHADMN CCCOC1CCN(Cc2ccc(Cl)c(OC)c2)CC1 ZINC001139621510 1131623321 /nfs/dbraw/zinc/62/33/21/1131623321.db2.gz JVQQLPZXIVYZRS-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN CCOc1ccc(CN(C)Cc2cccnc2C)cc1CC ZINC001139625770 1131624779 /nfs/dbraw/zinc/62/47/79/1131624779.db2.gz IFCWCWJHPBUXJJ-UHFFFAOYSA-N 0 1 298.430 3.983 20 0 CHADMN Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001139713448 1131631094 /nfs/dbraw/zinc/63/10/94/1131631094.db2.gz GJNPVJCRBPRPTN-LBPRGKRZSA-N 0 1 287.325 3.783 20 0 CHADMN Cc1cc(O)cc(C)c1C[N@@H+](C)Cc1cccc(F)c1 ZINC001139712326 1131631668 /nfs/dbraw/zinc/63/16/68/1131631668.db2.gz QCSGPYRNOOCWJG-UHFFFAOYSA-N 0 1 273.351 3.780 20 0 CHADMN C[C@H]1CN(Cc2cnc3cccnc3c2)Cc2ccccc21 ZINC001139738532 1131633697 /nfs/dbraw/zinc/63/36/97/1131633697.db2.gz RQUJLKZMAFDAAX-AWEZNQCLSA-N 0 1 289.382 3.749 20 0 CHADMN Cc1ccc(CN(C)Cc2cnc3cccnc3c2)cc1C ZINC001139743187 1131634026 /nfs/dbraw/zinc/63/40/26/1131634026.db2.gz BOUSRPAYSAMBPV-UHFFFAOYSA-N 0 1 291.398 3.879 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cnc2cccnc2c1 ZINC001139743229 1131634348 /nfs/dbraw/zinc/63/43/48/1131634348.db2.gz DKSLUUGGAXQBDA-UHFFFAOYSA-N 0 1 295.361 3.791 20 0 CHADMN COc1ncc(Cl)cc1CN1CCC[C@@H](C)[C@@H](C)C1 ZINC001139744782 1131634767 /nfs/dbraw/zinc/63/47/67/1131634767.db2.gz SLDZKVPPTBXWGW-NEPJUHHUSA-N 0 1 282.815 3.612 20 0 CHADMN COCc1ccc(CN2CCC[C@H](C(F)(F)F)C2)s1 ZINC001139826880 1131640326 /nfs/dbraw/zinc/64/03/26/1131640326.db2.gz FJMNFQQNZVAHHX-JTQLQIEISA-N 0 1 293.354 3.669 20 0 CHADMN COc1cc(Cl)cc(C[N@H+]2CC[C@@](C)(CF)C2)c1 ZINC001144478219 1131641808 /nfs/dbraw/zinc/64/18/08/1131641808.db2.gz DCNYLNZACFXQTD-AWEZNQCLSA-N 0 1 271.763 3.530 20 0 CHADMN COc1cc(Cl)cc(CN2CC[C@@](C)(CF)C2)c1 ZINC001144478219 1131641809 /nfs/dbraw/zinc/64/18/09/1131641809.db2.gz DCNYLNZACFXQTD-AWEZNQCLSA-N 0 1 271.763 3.530 20 0 CHADMN COc1cccc(CN(C)Cc2cc3ccccc3n2C)c1 ZINC001139870271 1131644399 /nfs/dbraw/zinc/64/43/99/1131644399.db2.gz FRADJNXOSVITLG-UHFFFAOYSA-N 0 1 294.398 3.819 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1CN1CC[C@@H]2CCO[C@H]2C1 ZINC001139884671 1131646474 /nfs/dbraw/zinc/64/64/74/1131646474.db2.gz CRNKWRVPPCGIQI-DOMZBBRYSA-N 0 1 299.336 3.625 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1CN1CC[C@]2(CCCO2)C1 ZINC001139888498 1131646572 /nfs/dbraw/zinc/64/65/72/1131646572.db2.gz SJCBIMSWXKPGSB-OAHLLOKOSA-N 0 1 299.336 3.769 20 0 CHADMN Cc1ccc(CN(C)Cc2ccccc2C2CC2)cn1 ZINC001139883609 1131646807 /nfs/dbraw/zinc/64/68/07/1131646807.db2.gz ZHFIBRLYOJUKMN-UHFFFAOYSA-N 0 1 266.388 3.899 20 0 CHADMN Cc1ccc(C(F)(F)F)cc1CN1CC2(C1)CCOCC2 ZINC001139885117 1131646866 /nfs/dbraw/zinc/64/68/66/1131646866.db2.gz LSCZLFMOUDZQRP-UHFFFAOYSA-N 0 1 299.336 3.626 20 0 CHADMN C[C@]1(F)CCCN(Cc2cccnc2C(F)(F)F)CC1 ZINC001144521141 1131648676 /nfs/dbraw/zinc/64/86/76/1131648676.db2.gz QTBDTUBTBOJDJI-ZDUSSCGKSA-N 0 1 290.304 3.815 20 0 CHADMN CC[N@H+](Cc1c(F)cc([O-])cc1F)C1CCCCC1 ZINC001144541632 1131653611 /nfs/dbraw/zinc/65/36/11/1131653611.db2.gz IJRVYUZAZWZCNN-UHFFFAOYSA-N 0 1 269.335 3.825 20 0 CHADMN CC[N@@H+](Cc1c(F)cc([O-])cc1F)C1CCCCC1 ZINC001144541632 1131653613 /nfs/dbraw/zinc/65/36/13/1131653613.db2.gz IJRVYUZAZWZCNN-UHFFFAOYSA-N 0 1 269.335 3.825 20 0 CHADMN CN(Cc1cccs1)Cc1cc2ccccc2cn1 ZINC001139997471 1131654902 /nfs/dbraw/zinc/65/49/02/1131654902.db2.gz GLJRVAYPMIPLFX-UHFFFAOYSA-N 0 1 268.385 3.928 20 0 CHADMN Fc1ncc(Br)cc1CN1CCCCC12CC2 ZINC001140008354 1131656448 /nfs/dbraw/zinc/65/64/48/1131656448.db2.gz WJSVYFMDPYMQBM-UHFFFAOYSA-N 0 1 299.187 3.502 20 0 CHADMN C[N@@H+](CCc1ccc(Cl)cc1)Cc1cc(O)ccc1F ZINC001140049193 1131658203 /nfs/dbraw/zinc/65/82/03/1131658203.db2.gz YYMWVMPUQQLSOH-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN CN(CCc1ccc(Cl)cc1)Cc1cc(O)ccc1F ZINC001140049193 1131658206 /nfs/dbraw/zinc/65/82/06/1131658206.db2.gz YYMWVMPUQQLSOH-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC001140050640 1131658356 /nfs/dbraw/zinc/65/83/56/1131658356.db2.gz NTIAFOZDVCWAOI-CQSZACIVSA-N 0 1 271.335 3.521 20 0 CHADMN C[N@@H+](CCc1ccccc1Cl)Cc1cc(O)ccc1F ZINC001140048751 1131658378 /nfs/dbraw/zinc/65/83/78/1131658378.db2.gz NTLVDBDQPJINEC-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN CN(CCc1ccccc1Cl)Cc1cc(O)ccc1F ZINC001140048751 1131658381 /nfs/dbraw/zinc/65/83/81/1131658381.db2.gz NTLVDBDQPJINEC-UHFFFAOYSA-N 0 1 293.769 3.859 20 0 CHADMN C[N@H+](Cc1cc(O)ccc1F)CC1CCCCC1 ZINC001140051396 1131658638 /nfs/dbraw/zinc/65/86/38/1131658638.db2.gz GWEYNMBFSOZODE-UHFFFAOYSA-N 0 1 251.345 3.543 20 0 CHADMN Oc1ccc(F)c(C[N@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC001140051783 1131658829 /nfs/dbraw/zinc/65/88/29/1131658829.db2.gz SPRNGIHDMGBFNX-AWEZNQCLSA-N 0 1 277.383 3.934 20 0 CHADMN Oc1ccc(F)c(CN2CCC3(CC[C@H](F)C3)CC2)c1 ZINC001140051626 1131658992 /nfs/dbraw/zinc/65/89/92/1131658992.db2.gz PJODQVXSQPTTAE-ZDUSSCGKSA-N 0 1 281.346 3.636 20 0 CHADMN Oc1cc(F)c(C[N@H+]2CCC3(C2)CCCCC3)c(F)c1 ZINC001144567674 1131660397 /nfs/dbraw/zinc/66/03/97/1131660397.db2.gz XYULHYGIPAGIDN-UHFFFAOYSA-N 0 1 281.346 3.827 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCC3(C2)CCCCC3)c(F)c1 ZINC001144567674 1131660404 /nfs/dbraw/zinc/66/04/04/1131660404.db2.gz XYULHYGIPAGIDN-UHFFFAOYSA-N 0 1 281.346 3.827 20 0 CHADMN CC[C@H]1CCCCN1Cc1cc(C(F)(F)F)ccn1 ZINC001140108978 1131664596 /nfs/dbraw/zinc/66/45/96/1131664596.db2.gz VSKZGNWZJWBSIF-ZDUSSCGKSA-N 0 1 272.314 3.865 20 0 CHADMN Fc1cccc(CN2CC[C@H](c3ccccc3Cl)C2)n1 ZINC001140133629 1131666594 /nfs/dbraw/zinc/66/65/94/1131666594.db2.gz AMSBCGMYRPGREE-LBPRGKRZSA-N 0 1 290.769 3.864 20 0 CHADMN CCn1c2ccccc2c2cc(-n3cncc3N)ccc21 ZINC001203006450 1131668703 /nfs/dbraw/zinc/66/87/03/1131668703.db2.gz HISTZXYGOATANA-UHFFFAOYSA-N 0 1 276.343 3.582 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cc(F)c([O-])cc2F)C[C@H]1C ZINC001144647290 1131673640 /nfs/dbraw/zinc/67/36/40/1131673640.db2.gz DKCNQYQWQIBQAV-GHMZBOCLSA-N 0 1 269.335 3.538 20 0 CHADMN COc1ccc2c(c1)CN(Cc1cc(C)c(O)cc1C)CC2 ZINC001140197251 1131675350 /nfs/dbraw/zinc/67/53/50/1131675350.db2.gz MBSPNPOSUIJULL-UHFFFAOYSA-N 0 1 297.398 3.576 20 0 CHADMN [O-]c1cc(F)c(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1F ZINC001144657665 1131675387 /nfs/dbraw/zinc/67/53/87/1131675387.db2.gz CKAZZFZWQNBEGX-NHYWBVRUSA-N 0 1 281.346 3.825 20 0 CHADMN C[N@H+](Cc1cc(F)c([O-])cc1F)CC1CCCCC1 ZINC001144657922 1131675787 /nfs/dbraw/zinc/67/57/87/1131675787.db2.gz NGXJOHUREZEICI-UHFFFAOYSA-N 0 1 269.335 3.683 20 0 CHADMN C[C@]1(c2cccc(F)c2)CCN(Cc2ccc(F)nc2)C1 ZINC000846000290 1131676903 /nfs/dbraw/zinc/67/69/03/1131676903.db2.gz MEUBJYWHEPMKTM-KRWDZBQOSA-N 0 1 288.341 3.523 20 0 CHADMN Cc1ccc(C[N@@H+](C)Cc2sccc2C(=O)[O-])cc1C ZINC001144680709 1131681645 /nfs/dbraw/zinc/68/16/45/1131681645.db2.gz VHSJTZVXNJWIIO-UHFFFAOYSA-N 0 1 289.400 3.695 20 0 CHADMN C[N@@H+](Cc1sccc1C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC001144684761 1131683877 /nfs/dbraw/zinc/68/38/77/1131683877.db2.gz DMDYSFXMIIMDFU-CQSZACIVSA-N 0 1 287.384 3.566 20 0 CHADMN CCOc1ccc2[nH]cc(CN3CCC[C@@](C)(F)C3)c2c1 ZINC001140268064 1131685705 /nfs/dbraw/zinc/68/57/05/1131685705.db2.gz RXVFZRDRQDEIFB-QGZVFWFLSA-N 0 1 290.382 3.891 20 0 CHADMN C[N@@H+](Cc1ccncc1[O-])C1CCC(C(C)(C)C)CC1 ZINC001140281130 1131687221 /nfs/dbraw/zinc/68/72/21/1131687221.db2.gz XZHJKYWYCSBSJJ-UHFFFAOYSA-N 0 1 276.424 3.824 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)Cc1ccncc1O ZINC001140281626 1131687614 /nfs/dbraw/zinc/68/76/14/1131687614.db2.gz FKUHQVGIARNLNC-LLVKDONJSA-N 0 1 276.767 3.634 20 0 CHADMN CCOc1ccc(CN2CCC[C@@]3(CC3(F)F)C2)cc1F ZINC000846105833 1131690293 /nfs/dbraw/zinc/69/02/93/1131690293.db2.gz YVSIWOANYOTROW-OAHLLOKOSA-N 0 1 299.336 3.846 20 0 CHADMN CCOc1ccc(CN2CCC[C@]3(CC3(F)F)C2)cc1F ZINC000846105832 1131690320 /nfs/dbraw/zinc/69/03/20/1131690320.db2.gz YVSIWOANYOTROW-HNNXBMFYSA-N 0 1 299.336 3.846 20 0 CHADMN CCN(c1ccc(N[C@H](C)Cc2cnccn2)cc1)C(C)C ZINC000834705076 1131696070 /nfs/dbraw/zinc/69/60/70/1131696070.db2.gz IEMCDVCLPNFUND-OAHLLOKOSA-N 0 1 298.434 3.754 20 0 CHADMN Cc1ccc2n[nH]c(CN(C)Cc3cccc(F)c3)c2c1 ZINC001140328654 1131698651 /nfs/dbraw/zinc/69/86/51/1131698651.db2.gz JVYUYNYGALDOTI-UHFFFAOYSA-N 0 1 283.350 3.642 20 0 CHADMN Cc1cc([C@H](C)NCCC[C@@H]2CC2(Cl)Cl)no1 ZINC000846216942 1131699998 /nfs/dbraw/zinc/69/99/98/1131699998.db2.gz WATTZWMSRSLLGB-VHSXEESVSA-N 0 1 277.195 3.608 20 0 CHADMN COc1c(F)ccc(F)c1CN1CCC[C@H](C)[C@@H](C)C1 ZINC001144749014 1131701709 /nfs/dbraw/zinc/70/17/09/1131701709.db2.gz HLGFSTFKXVDGCA-RYUDHWBXSA-N 0 1 283.362 3.841 20 0 CHADMN C[N@@H+](Cc1occc1C(=O)[O-])C1CCCCCCC1 ZINC000846243713 1131703161 /nfs/dbraw/zinc/70/31/61/1131703161.db2.gz NSHZZJPHMCVOBH-UHFFFAOYSA-N 0 1 265.353 3.523 20 0 CHADMN C/C(=C\C[N@H+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1)C(=O)[O-] ZINC000846252079 1131704225 /nfs/dbraw/zinc/70/42/25/1131704225.db2.gz OOALKSLRJVENOP-FWPSRMAWSA-N 0 1 295.810 3.795 20 0 CHADMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000846273694 1131704743 /nfs/dbraw/zinc/70/47/43/1131704743.db2.gz CASJORSZOYZTTE-INIZCTEOSA-N 0 1 289.400 3.588 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cc3ccccc3s2)[C@H](C(=O)[O-])C1 ZINC000846281164 1131704898 /nfs/dbraw/zinc/70/48/98/1131704898.db2.gz UDUBUPDVRITYOB-RISCZKNCSA-N 0 1 289.400 3.586 20 0 CHADMN O=C([O-])[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC000846283828 1131705001 /nfs/dbraw/zinc/70/50/01/1131705001.db2.gz HZRPTBIJQOQKKX-IEBWSBKVSA-N 0 1 295.382 3.527 20 0 CHADMN C[C@@H](c1cccs1)N(C)CC1(Br)CC1 ZINC000846774791 1131732374 /nfs/dbraw/zinc/73/23/74/1131732374.db2.gz WKGMBUFZCKJUKF-VIFPVBQESA-N 0 1 274.227 3.668 20 0 CHADMN Cc1cc(CC(=O)N(CC(C)C)c2ccc(C)cc2C)n[nH]1 ZINC000846299714 1131706268 /nfs/dbraw/zinc/70/62/68/1131706268.db2.gz VCCXYFSPQRURTE-UHFFFAOYSA-N 0 1 299.418 3.567 20 0 CHADMN C[C@@H](N[C@H]1CCC1(C)C)c1nc(Br)cs1 ZINC000834798525 1131706551 /nfs/dbraw/zinc/70/65/51/1131706551.db2.gz HVJIXPJMRPZYHP-SFYZADRCSA-N 0 1 289.242 3.745 20 0 CHADMN CCc1ccc([C@H](CC)N[C@H]2CCn3ccnc32)cc1 ZINC000834836841 1131709649 /nfs/dbraw/zinc/70/96/49/1131709649.db2.gz PMWMIJDETWYFFG-HOTGVXAUSA-N 0 1 269.392 3.631 20 0 CHADMN CC(C)(C)c1nc(Nc2cccc(Cl)c2F)no1 ZINC001203031804 1131712451 /nfs/dbraw/zinc/71/24/51/1131712451.db2.gz HPDOMFSRXOJWBU-UHFFFAOYSA-N 0 1 269.707 3.903 20 0 CHADMN CCOc1ccc(Cl)c(N[C@H]2CCCc3[nH]ncc32)c1 ZINC000834879774 1131717066 /nfs/dbraw/zinc/71/70/66/1131717066.db2.gz WDFNCWGZZYETHX-ZDUSSCGKSA-N 0 1 291.782 3.951 20 0 CHADMN Fc1cccc(-c2ncc(CN3CCC(F)CC3)s2)c1 ZINC001140416581 1131720355 /nfs/dbraw/zinc/72/03/55/1131720355.db2.gz JTFISDAQLNNGRO-UHFFFAOYSA-N 0 1 294.370 3.883 20 0 CHADMN CC[C@@H](N[C@H](C)c1nccn1CC)c1ccc2c(c1)CCO2 ZINC000834892064 1131720745 /nfs/dbraw/zinc/72/07/45/1131720745.db2.gz AMPARGSSTQOPQW-CZUORRHYSA-N 0 1 299.418 3.640 20 0 CHADMN COc1cccc2c1CCN(Cc1ccc3c(c1)CCC3)C2 ZINC001203035362 1131728426 /nfs/dbraw/zinc/72/84/26/1131728426.db2.gz YXLMEUOCKGPJKR-UHFFFAOYSA-N 0 1 293.410 3.742 20 0 CHADMN CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(O)c(Cl)c1 ZINC000042431702 1131736247 /nfs/dbraw/zinc/73/62/47/1131736247.db2.gz GUFVXLYHFMOULS-MFKMUULPSA-N 0 1 281.783 3.744 20 0 CHADMN CN(Cc1cnc(Cl)c(F)c1)[C@@H]1CCc2ccccc21 ZINC000846772070 1131737256 /nfs/dbraw/zinc/73/72/56/1131737256.db2.gz CZVWQNLQHRDEMH-OAHLLOKOSA-N 0 1 290.769 3.993 20 0 CHADMN Cc1ccc(Cl)nc1CN1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001140443078 1131738360 /nfs/dbraw/zinc/73/83/60/1131738360.db2.gz ZWEBSMTVYGDWNT-PHIMTYICSA-N 0 1 286.753 3.521 20 0 CHADMN C[C@@H](c1ccco1)N(Cc1ccc2nonc2c1)C1CC1 ZINC000846831137 1131741677 /nfs/dbraw/zinc/74/16/77/1131741677.db2.gz JRZFPNFTRGFHFZ-NSHDSACASA-N 0 1 283.331 3.541 20 0 CHADMN C[C@@H]1CN(CC2(Br)CC2)[C@@H]1c1ccccc1 ZINC000846812629 1131744225 /nfs/dbraw/zinc/74/42/25/1131744225.db2.gz VRPCUQRJDRVRRM-YPMHNXCESA-N 0 1 280.209 3.607 20 0 CHADMN C[C@H]1CN(CC2(Br)CC2)[C@H]1c1ccccc1 ZINC000846812628 1131744741 /nfs/dbraw/zinc/74/47/41/1131744741.db2.gz VRPCUQRJDRVRRM-WCQYABFASA-N 0 1 280.209 3.607 20 0 CHADMN Fc1cc(CNC2(c3ccccc3)CC2)cnc1Cl ZINC000846844019 1131749577 /nfs/dbraw/zinc/74/95/77/1131749577.db2.gz KNRJQLMZEQOIOP-UHFFFAOYSA-N 0 1 276.742 3.653 20 0 CHADMN ClC1(Cl)C[C@H]1CCN1CCC=C(c2ccccn2)C1 ZINC000846926762 1131759146 /nfs/dbraw/zinc/75/91/46/1131759146.db2.gz ZUEAXPZYRORNGP-CYBMUJFWSA-N 0 1 297.229 3.755 20 0 CHADMN CCOC(CN(CC)Cc1ccccc1SC)OCC ZINC000846977035 1131771032 /nfs/dbraw/zinc/77/10/32/1131771032.db2.gz YHVVTHMIAKHZKM-UHFFFAOYSA-N 0 1 297.464 3.630 20 0 CHADMN O=C([O-])c1ccccc1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001140503974 1131771300 /nfs/dbraw/zinc/77/13/00/1131771300.db2.gz RCWQVZLYNHVDLR-AWEZNQCLSA-N 0 1 299.345 3.513 20 0 CHADMN CCc1ccc(C[N@@H+](C)Cc2ccccc2C(=O)[O-])cc1 ZINC001140504134 1131771563 /nfs/dbraw/zinc/77/15/63/1131771563.db2.gz WWXVTQHUPXLAOS-UHFFFAOYSA-N 0 1 283.371 3.579 20 0 CHADMN CC(C)C1CCN(Cc2cc(Cl)ccn2)CC1 ZINC000232540785 1131782094 /nfs/dbraw/zinc/78/20/94/1131782094.db2.gz GRASRGQNOREVOJ-UHFFFAOYSA-N 0 1 252.789 3.603 20 0 CHADMN Fc1cc(Cl)cc(CN2CC[C@@H](COCC3CC3)C2)c1 ZINC001140542211 1131784908 /nfs/dbraw/zinc/78/49/08/1131784908.db2.gz HWECROPATBDVGE-CYBMUJFWSA-N 0 1 297.801 3.728 20 0 CHADMN CN(Cc1cc(Cl)ccc1C(F)(F)F)[C@H]1CCOC1 ZINC001140564370 1131796211 /nfs/dbraw/zinc/79/62/11/1131796211.db2.gz CYZKVOSXLPDZRQ-NSHDSACASA-N 0 1 293.716 3.580 20 0 CHADMN O=C1CCN(Cc2cccc3ccncc32)[C@@H]2CCCC[C@H]12 ZINC001140640578 1131841021 /nfs/dbraw/zinc/84/10/21/1131841021.db2.gz PWKMZNSFZZPIJM-FUHWJXTLSA-N 0 1 294.398 3.568 20 0 CHADMN CN(Cc1cc(F)c(Cl)cc1F)CC1CCC1 ZINC001140701509 1131882517 /nfs/dbraw/zinc/88/25/17/1131882517.db2.gz PLMRNDVWLYSZSK-UHFFFAOYSA-N 0 1 259.727 3.850 20 0 CHADMN CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC001148387659 1131852724 /nfs/dbraw/zinc/85/27/24/1131852724.db2.gz GLJFGYMRNJNRRL-DLBZAZTESA-N 0 1 294.483 3.584 20 0 CHADMN Cc1cccc2c1CN(Cc1cc(C)c(O)c(C)c1)C2 ZINC001140657920 1131853769 /nfs/dbraw/zinc/85/37/69/1131853769.db2.gz FDNFPSYZGDRPGP-UHFFFAOYSA-N 0 1 267.372 3.833 20 0 CHADMN Cc1nc2ccc(O[C@H]3CCC(=O)c4ccccc43)cc2[nH]1 ZINC001228326075 1131859190 /nfs/dbraw/zinc/85/91/90/1131859190.db2.gz DTVVMDJFGLMZLD-SFHVURJKSA-N 0 1 292.338 3.968 20 0 CHADMN Cc1nc2ccc(O[C@@H](C)c3cc(C)cnc3F)cc2[nH]1 ZINC001228330192 1131859444 /nfs/dbraw/zinc/85/94/44/1131859444.db2.gz WEMSSLOGPPTHGE-JTQLQIEISA-N 0 1 285.322 3.854 20 0 CHADMN CCCCC[C@H]1CCCCN1C(=O)[C@H]1CCN1C(C)(C)C ZINC001148506015 1131860695 /nfs/dbraw/zinc/86/06/95/1131860695.db2.gz RIFSDQIUJFLQRR-JKSUJKDBSA-N 0 1 294.483 3.821 20 0 CHADMN O=C(OC[C@@H]1CCCCC1(F)F)c1cccc2[nH]ncc21 ZINC000835646872 1131865373 /nfs/dbraw/zinc/86/53/73/1131865373.db2.gz LZTQKUOVDZWOLY-JTQLQIEISA-N 0 1 294.301 3.545 20 0 CHADMN CC[C@H](C)[C@H](C)N(CC(=O)c1cc(C)[nH]c1C)C1CC1 ZINC000348104535 1131880304 /nfs/dbraw/zinc/88/03/04/1131880304.db2.gz QEYVHPDHGUHQSJ-FZMZJTMJSA-N 0 1 276.424 3.713 20 0 CHADMN Cc1csc([C@H](C)NCCO[C@H]2CCCC[C@@H]2C)n1 ZINC000348106884 1131881734 /nfs/dbraw/zinc/88/17/34/1131881734.db2.gz HFOXUJWRBMORIP-UBHSHLNASA-N 0 1 282.453 3.697 20 0 CHADMN CC[C@H](Cc1ccccc1)N(C)CC(=O)c1cc(C)[nH]c1C ZINC000348117481 1131882384 /nfs/dbraw/zinc/88/23/84/1131882384.db2.gz XJHGVQMUDPHYPM-QGZVFWFLSA-N 0 1 298.430 3.767 20 0 CHADMN c1cn2cc(CN3CCCC4(CCCCC4)C3)nc2s1 ZINC000348149412 1131890072 /nfs/dbraw/zinc/89/00/72/1131890072.db2.gz YTLJEOYQXJKYHH-UHFFFAOYSA-N 0 1 289.448 3.942 20 0 CHADMN c1coc(-c2cc(CN3CCCC4(CCC4)C3)no2)c1 ZINC000348164788 1131890863 /nfs/dbraw/zinc/89/08/63/1131890863.db2.gz BMCVDJNIISOXBL-UHFFFAOYSA-N 0 1 272.348 3.701 20 0 CHADMN FC1CCN(Cc2c(Cl)ncc3ccccc32)CC1 ZINC001140719193 1131893001 /nfs/dbraw/zinc/89/30/01/1131893001.db2.gz AQVHTWRNTRRXAY-UHFFFAOYSA-N 0 1 278.758 3.822 20 0 CHADMN Cc1ccc(NC(=O)CN2CCCC3(CCC3)C2)c(C)c1 ZINC000348167603 1131897863 /nfs/dbraw/zinc/89/78/63/1131897863.db2.gz KOHCBFLYMOBNDY-UHFFFAOYSA-N 0 1 286.419 3.508 20 0 CHADMN CC/C=C(\C)[C@H](CC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507077 1131898473 /nfs/dbraw/zinc/89/84/73/1131898473.db2.gz FMKIMELJZXBAHT-ORZBULNSSA-N 0 1 280.759 3.520 20 0 CHADMN CCC[C@H](Oc1nc(Cl)nc2nc[nH]c21)C(C)(C)C ZINC001228509235 1131899357 /nfs/dbraw/zinc/89/93/57/1131899357.db2.gz LNMNACQARGLXMZ-QMMMGPOBSA-N 0 1 282.775 3.600 20 0 CHADMN CCC[C@H](C)[C@@H](CC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507249 1131899584 /nfs/dbraw/zinc/89/95/84/1131899584.db2.gz KJLZANVFZRXFHY-DTWKUNHWSA-N 0 1 282.775 3.600 20 0 CHADMN Cc1cccc(N2CCN(Cc3ccc(F)cc3C)CC2)c1 ZINC001140778618 1131914769 /nfs/dbraw/zinc/91/47/69/1131914769.db2.gz ZBTMWUWILIYJHS-UHFFFAOYSA-N 0 1 298.405 3.765 20 0 CHADMN COc1cccc2c1CCN(Cc1coc3ccccc13)C2 ZINC001140785246 1131918396 /nfs/dbraw/zinc/91/83/96/1131918396.db2.gz WKWKFJQVKDLHEU-UHFFFAOYSA-N 0 1 293.366 4.000 20 0 CHADMN Oc1cc(Cl)cc(CN2CCCc3ccccc3C2)c1 ZINC001140797700 1131925119 /nfs/dbraw/zinc/92/51/19/1131925119.db2.gz MEEBYXWPEQZPQV-UHFFFAOYSA-N 0 1 287.790 3.994 20 0 CHADMN C[C@H](Oc1ccc2[nH]nnc2c1)c1cccc(Cl)c1 ZINC001228666825 1131930674 /nfs/dbraw/zinc/93/06/74/1131930674.db2.gz JJPFBUVVWDDBFQ-VIFPVBQESA-N 0 1 273.723 3.751 20 0 CHADMN CCOc1cccc([C@H](C)N[C@@H]2CCCc3c[nH]nc32)c1 ZINC000773068219 1131935491 /nfs/dbraw/zinc/93/54/91/1131935491.db2.gz ZANMYIUVCGJJOJ-BLLLJJGKSA-N 0 1 285.391 3.537 20 0 CHADMN COc1cc(F)c(CN2CCC[C@@H](C)CC2)c(F)c1 ZINC001140824177 1131936774 /nfs/dbraw/zinc/93/67/74/1131936774.db2.gz ABSQVTSOYPBZMS-LLVKDONJSA-N 0 1 269.335 3.595 20 0 CHADMN CCCN(Cc1c(F)cc(OC)cc1F)[C@H](C)CC ZINC001140824093 1131937293 /nfs/dbraw/zinc/93/72/93/1131937293.db2.gz XGHJWLDCBVEVGB-LLVKDONJSA-N 0 1 271.351 3.984 20 0 CHADMN COc1cc(F)c(CN2C[C@@H]3CCCC[C@H]3C2)c(F)c1 ZINC001140824296 1131937608 /nfs/dbraw/zinc/93/76/08/1131937608.db2.gz CCBJNDPFIAIVGY-RYUDHWBXSA-N 0 1 281.346 3.595 20 0 CHADMN COc1cc(F)c(CN2CCC[C@@H](C)[C@@H]2C)c(F)c1 ZINC001140826733 1131938456 /nfs/dbraw/zinc/93/84/56/1131938456.db2.gz OVKIHOYAEJMLIB-MNOVXSKESA-N 0 1 269.335 3.594 20 0 CHADMN C[N@H+](Cc1cc(Cl)c([O-])c(Cl)c1)Cc1ccccn1 ZINC001140829586 1131939493 /nfs/dbraw/zinc/93/94/93/1131939493.db2.gz JOXCXGRCSDAZBD-UHFFFAOYSA-N 0 1 297.185 3.726 20 0 CHADMN C[N@@H+](Cc1cc(Cl)c([O-])c(Cl)c1)Cc1ccccn1 ZINC001140829586 1131939498 /nfs/dbraw/zinc/93/94/98/1131939498.db2.gz JOXCXGRCSDAZBD-UHFFFAOYSA-N 0 1 297.185 3.726 20 0 CHADMN C[C@@H]1CC[C@H](NCc2cccc(F)n2)c2ccccc21 ZINC000773084163 1131940000 /nfs/dbraw/zinc/94/00/00/1131940000.db2.gz BJVZQCMLSXJNFT-WBMJQRKESA-N 0 1 270.351 3.949 20 0 CHADMN Cc1cccc([C@H](C)NCc2cccc(F)n2)c1C ZINC000773092468 1131942301 /nfs/dbraw/zinc/94/23/01/1131942301.db2.gz AMXHOOZLCHFRSN-ZDUSSCGKSA-N 0 1 258.340 3.688 20 0 CHADMN CC[C@@H](C)CCCCC(=O)N1CCN([C@H](C)CC)CC1 ZINC001140843913 1131944105 /nfs/dbraw/zinc/94/41/05/1131944105.db2.gz BMYYIENYQUOZKD-HZPDHXFCSA-N 0 1 282.472 3.536 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc2ccccc2n1)c1ccc[nH]1 ZINC000773119311 1131951131 /nfs/dbraw/zinc/95/11/31/1131951131.db2.gz OBXDZEXBACPSOX-STQMWFEESA-N 0 1 265.360 3.975 20 0 CHADMN Nc1cccc(F)c1CN1CC=C(c2ccccc2)CC1 ZINC001140877828 1131955776 /nfs/dbraw/zinc/95/57/76/1131955776.db2.gz WSUVWMOYWIVLBZ-UHFFFAOYSA-N 0 1 282.362 3.697 20 0 CHADMN C[C@@H]1CCN1Cc1ccc(OC(F)F)c(OCC2CC2)c1 ZINC001140902994 1131960869 /nfs/dbraw/zinc/96/08/69/1131960869.db2.gz HBHPQZAFOAMOPP-LLVKDONJSA-N 0 1 297.345 3.671 20 0 CHADMN CSc1ccccc1[C@H]1CCCN1Cc1cc(C)n[nH]1 ZINC001203080910 1131966985 /nfs/dbraw/zinc/96/69/85/1131966985.db2.gz HATPWBUQCDPJOR-OAHLLOKOSA-N 0 1 287.432 3.777 20 0 CHADMN CSc1ccccc1[C@H]1CCCN1Cc1cc(C)[nH]n1 ZINC001203080910 1131966991 /nfs/dbraw/zinc/96/69/91/1131966991.db2.gz HATPWBUQCDPJOR-OAHLLOKOSA-N 0 1 287.432 3.777 20 0 CHADMN Clc1ccc(-n2cccc2CN2CCSCC2)cc1 ZINC001140940415 1131967739 /nfs/dbraw/zinc/96/77/39/1131967739.db2.gz AFEIIMGYLGLPSP-UHFFFAOYSA-N 0 1 292.835 3.680 20 0 CHADMN Cc1cc(CN(C)[C@@H](C)c2ccc(Cl)cc2)n[nH]1 ZINC001203081894 1131976077 /nfs/dbraw/zinc/97/60/77/1131976077.db2.gz JJOHYASIUNDHOX-NSHDSACASA-N 0 1 263.772 3.565 20 0 CHADMN [O-]c1c(F)cc(C[N@H+]2CCC23CCCCC3)cc1F ZINC001140987971 1131978806 /nfs/dbraw/zinc/97/88/06/1131978806.db2.gz IVHKOJNGCHCEIK-UHFFFAOYSA-N 0 1 267.319 3.579 20 0 CHADMN Cc1cccc(CN2CCC(Oc3ccccc3C)CC2)n1 ZINC001204065256 1131979982 /nfs/dbraw/zinc/97/99/82/1131979982.db2.gz AYVRYAZSEPYRCQ-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001141002558 1131980978 /nfs/dbraw/zinc/98/09/78/1131980978.db2.gz DIVRYKJQHBPOCQ-STQMWFEESA-N 0 1 290.407 3.990 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2ccc(-c3ccccn3)s2)C1 ZINC001141002558 1131980981 /nfs/dbraw/zinc/98/09/81/1131980981.db2.gz DIVRYKJQHBPOCQ-STQMWFEESA-N 0 1 290.407 3.990 20 0 CHADMN Cc1ccccc1C[N@@H+](C)Cc1ccc2cccc(O)c2n1 ZINC001141023877 1131987286 /nfs/dbraw/zinc/98/72/86/1131987286.db2.gz ZEDGECYJEFUXPU-UHFFFAOYSA-N 0 1 292.382 3.881 20 0 CHADMN Oc1cccc2ccc(CN3CC[C@H]3c3ccccc3)nc12 ZINC001141021761 1131987935 /nfs/dbraw/zinc/98/79/35/1131987935.db2.gz KPFZNEGHFOPIFX-KRWDZBQOSA-N 0 1 290.366 3.887 20 0 CHADMN CCC[C@H]1CCCC[C@H]1Oc1nnc2c[nH]ccc1-2 ZINC001228989107 1131993277 /nfs/dbraw/zinc/99/32/77/1131993277.db2.gz DVXSHCPACZBSHQ-SMDDNHRTSA-N 0 1 259.353 3.696 20 0 CHADMN C[C@H](NCc1cccc(Br)c1)c1ccns1 ZINC000715920735 1131996958 /nfs/dbraw/zinc/99/69/58/1131996958.db2.gz NPZJQIUQTUCEMN-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN Cc1cc2ccccc2c(NC(=O)[C@@H]2CCCCN2C)c1 ZINC001141076884 1132006414 /nfs/dbraw/zinc/00/64/14/1132006414.db2.gz DODJADFLVMPKGK-KRWDZBQOSA-N 0 1 282.387 3.571 20 0 CHADMN CC[N@@H+](Cc1ccncc1NC(=O)OC(C)(C)C)C(C)C ZINC001141082393 1132007640 /nfs/dbraw/zinc/00/76/40/1132007640.db2.gz HPBUOMUSEKLGCI-UHFFFAOYSA-N 0 1 293.411 3.659 20 0 CHADMN CC[C@H](C)[N@@H+](C)Cc1ccncc1NC(=O)OC(C)(C)C ZINC001141081912 1132007733 /nfs/dbraw/zinc/00/77/33/1132007733.db2.gz RTJYNKDVCGQMKK-LBPRGKRZSA-N 0 1 293.411 3.659 20 0 CHADMN COc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H]1C ZINC001141078830 1132007816 /nfs/dbraw/zinc/00/78/16/1132007816.db2.gz KWFJOPOSYLHSSV-HNNXBMFYSA-N 0 1 297.398 3.868 20 0 CHADMN COc1cc(OCc2ccccc2)ccc1CN1CC[C@@H]1C ZINC001141078830 1132007825 /nfs/dbraw/zinc/00/78/25/1132007825.db2.gz KWFJOPOSYLHSSV-HNNXBMFYSA-N 0 1 297.398 3.868 20 0 CHADMN CC(C)(C)c1cccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001141102930 1132018336 /nfs/dbraw/zinc/01/83/36/1132018336.db2.gz VIBKXWFCFPVADG-BPUTZDHNSA-N 0 1 261.384 3.774 20 0 CHADMN CC(C)(C)c1cccc(CN2CC(C(F)F)C2)c1 ZINC001141106119 1132019454 /nfs/dbraw/zinc/01/94/54/1132019454.db2.gz OGDBGKJXRNIHIS-UHFFFAOYSA-N 0 1 253.336 3.681 20 0 CHADMN C[C@H]1C[C@@H](CF)N(Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001141181552 1132036335 /nfs/dbraw/zinc/03/63/35/1132036335.db2.gz IZNUVIYEAKJRHZ-BBRMVZONSA-N 0 1 291.410 3.970 20 0 CHADMN C[C@@H]1C[C@@H](F)CN1Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001141182094 1132036501 /nfs/dbraw/zinc/03/65/01/1132036501.db2.gz COTRBNRKVNKWJO-IUODEOHRSA-N 0 1 277.383 3.723 20 0 CHADMN CC1(C)CN(Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001141182352 1132036878 /nfs/dbraw/zinc/03/68/78/1132036878.db2.gz OVHVUMYPJQOAHZ-UHFFFAOYSA-N 0 1 259.393 3.632 20 0 CHADMN CN(Cc1cccs1)Cc1ccc(-c2ncccn2)cc1 ZINC001141189037 1132037549 /nfs/dbraw/zinc/03/75/49/1132037549.db2.gz OLSNDAUFZIAACU-UHFFFAOYSA-N 0 1 295.411 3.837 20 0 CHADMN Cc1ccc(CN2CCC[C@H]2c2ccccn2)c(F)c1 ZINC001141194801 1132040037 /nfs/dbraw/zinc/04/00/37/1132040037.db2.gz OFLFQDMDQRKSRQ-KRWDZBQOSA-N 0 1 270.351 3.866 20 0 CHADMN Fc1cc2c(cc1F)C[C@@H](N1CC3(C1)CC(F)(F)C3)CC2 ZINC001171478423 1132044757 /nfs/dbraw/zinc/04/47/57/1132044757.db2.gz YNTIHDDNNKKZAB-LBPRGKRZSA-N 0 1 299.311 3.553 20 0 CHADMN CCc1ccc(C)nc1NCc1ccc2c(c1)CCCO2 ZINC001203104824 1132046019 /nfs/dbraw/zinc/04/60/19/1132046019.db2.gz KDBNXJSENCBIIL-UHFFFAOYSA-N 0 1 282.387 3.890 20 0 CHADMN CCc1ccccc1CN1CC[C@](C)(F)[C@H](F)C1 ZINC001141224107 1132046923 /nfs/dbraw/zinc/04/69/23/1132046923.db2.gz DTVUHZBBTLUPFX-CABCVRRESA-N 0 1 253.336 3.521 20 0 CHADMN COc1cccc(CN2CCC3(CC[C@H](F)C3)CC2)c1F ZINC001141222494 1132047450 /nfs/dbraw/zinc/04/74/50/1132047450.db2.gz FCGJPZPWZDAWHR-AWEZNQCLSA-N 0 1 295.373 3.939 20 0 CHADMN Cc1cccc(Cl)c1CN1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC001171653694 1132067419 /nfs/dbraw/zinc/06/74/19/1132067419.db2.gz NWJPEEDVORBCOQ-INIZCTEOSA-N 0 1 294.870 3.811 20 0 CHADMN COc1ccsc1CN1CCc2ccc(C)cc2C1 ZINC001141318564 1132081519 /nfs/dbraw/zinc/08/15/19/1132081519.db2.gz QVFYCFFEXHFTKU-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN C[C@@H]1CN(CCCc2ccccc2Cl)CC2(CCC2)O1 ZINC001171714557 1132085042 /nfs/dbraw/zinc/08/50/42/1132085042.db2.gz TXTDGRMJDXDXMO-CQSZACIVSA-N 0 1 293.838 3.916 20 0 CHADMN CCN(Cc1c(C)cccc1Cl)[C@@H]1CCCOC1 ZINC001171729906 1132085866 /nfs/dbraw/zinc/08/58/66/1132085866.db2.gz OTCRSKMZSQSSKA-CYBMUJFWSA-N 0 1 267.800 3.649 20 0 CHADMN COc1cc(Cl)ncc1CN1CCCCC[C@H]1C ZINC001141340518 1132093322 /nfs/dbraw/zinc/09/33/22/1132093322.db2.gz HNKMLKJEJYWUIN-LLVKDONJSA-N 0 1 268.788 3.508 20 0 CHADMN C[N@H+](Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1)CC1CC1 ZINC001141348555 1132096987 /nfs/dbraw/zinc/09/69/87/1132096987.db2.gz JTPQCBOUWSYVQZ-UHFFFAOYSA-N 0 1 295.382 3.894 20 0 CHADMN COc1ccc2cc(CN3CCC[C@@H]3C)c(Cl)nc2c1 ZINC000037910706 1132097131 /nfs/dbraw/zinc/09/71/31/1132097131.db2.gz RFCBCSRKKNKIJO-NSHDSACASA-N 0 1 290.794 3.881 20 0 CHADMN Cc1cc([S-])ccc1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001229633883 1132098186 /nfs/dbraw/zinc/09/81/86/1132098186.db2.gz BFIRASJMVKVNAJ-ZDUSSCGKSA-N 0 1 265.422 3.535 20 0 CHADMN c1cc(-c2cccc(CN3CCOC4(CC4)C3)c2)cs1 ZINC001141386681 1132110646 /nfs/dbraw/zinc/11/06/46/1132110646.db2.gz RFAWKTITBBHLFM-UHFFFAOYSA-N 0 1 285.412 3.780 20 0 CHADMN COc1cc(CN2CCCCCC2)ccc1Br ZINC000258101347 1132113332 /nfs/dbraw/zinc/11/33/32/1132113332.db2.gz KQMQQGDDVRLMMS-UHFFFAOYSA-N 0 1 298.224 3.834 20 0 CHADMN CN(C)Cc1cc(F)ccc1O[C@H]1CCc2ccccc2C1 ZINC001229858367 1132125010 /nfs/dbraw/zinc/12/50/10/1132125010.db2.gz MOXKTXSAWHZXKR-SFHVURJKSA-N 0 1 299.389 3.824 20 0 CHADMN CN(C)Cc1cc(F)ccc1OC1CCCCC1 ZINC001229855148 1132125436 /nfs/dbraw/zinc/12/54/36/1132125436.db2.gz UFPAYINKLYSAME-UHFFFAOYSA-N 0 1 251.345 3.599 20 0 CHADMN Cc1ccc(CN(C)C[C@@H]2CC2(Cl)Cl)cc1 ZINC000838483025 1132138485 /nfs/dbraw/zinc/13/84/85/1132138485.db2.gz XGTPUYBGFPHTKT-LBPRGKRZSA-N 0 1 258.192 3.621 20 0 CHADMN CC(C)[C@@H](Oc1nc[nH]c(=O)c1Cl)c1ccccc1 ZINC001230012134 1132144693 /nfs/dbraw/zinc/14/46/93/1132144693.db2.gz CKBRIHZSKZGJRO-GFCCVEGCSA-N 0 1 278.739 3.612 20 0 CHADMN Cc1ccc([C@@H](C)Oc2nc[nH]c(=O)c2Cl)c(C)c1 ZINC001230019141 1132145634 /nfs/dbraw/zinc/14/56/34/1132145634.db2.gz YBEXYVUNLRHWHF-SNVBAGLBSA-N 0 1 278.739 3.592 20 0 CHADMN COc1ccc(CN2CC[C@H]2C)cc1OC1CCCC1 ZINC001141514220 1132145969 /nfs/dbraw/zinc/14/59/69/1132145969.db2.gz TUEBGLWLKKXYDO-CYBMUJFWSA-N 0 1 275.392 3.611 20 0 CHADMN Cc1ccc(CN2CC[C@@H](c3ccco3)C2)c(Cl)n1 ZINC000838843083 1132149986 /nfs/dbraw/zinc/14/99/86/1132149986.db2.gz ZBHKBVXPBNYGKU-GFCCVEGCSA-N 0 1 276.767 3.626 20 0 CHADMN CC1(C)C[C@H](N2CCC[C@H]2c2cc(F)ccc2F)CO1 ZINC001172286925 1132162801 /nfs/dbraw/zinc/16/28/01/1132162801.db2.gz NWELWOSHOANGTP-WFASDCNBSA-N 0 1 281.346 3.669 20 0 CHADMN CC1(C)C[C@@H](N2CCC[C@@H]2c2cc(F)ccc2F)CO1 ZINC001172286923 1132163054 /nfs/dbraw/zinc/16/30/54/1132163054.db2.gz NWELWOSHOANGTP-IUODEOHRSA-N 0 1 281.346 3.669 20 0 CHADMN Cc1cc2[nH]ncc2cc1OC[C@@H](C)OCc1ccccc1 ZINC001230225617 1132163624 /nfs/dbraw/zinc/16/36/24/1132163624.db2.gz WDWPNNXTKULCJW-CQSZACIVSA-N 0 1 296.370 3.855 20 0 CHADMN Cc1nc([C@@H]2CCCCN2[C@@H]2CC[C@H](C)[C@H](C)C2)no1 ZINC001172372719 1132167271 /nfs/dbraw/zinc/16/72/71/1132167271.db2.gz GUGNIGGHCSOGJL-MXYBEHONSA-N 0 1 277.412 3.730 20 0 CHADMN C[C@@H]1CC[C@@H](N2CCc3ncc(Cl)cc3C2)C[C@H]1C ZINC001172378883 1132169403 /nfs/dbraw/zinc/16/94/03/1132169403.db2.gz MXBKPERQZOPSLM-LALPHHSUSA-N 0 1 278.827 3.918 20 0 CHADMN C[C@@H]1CC[C@@H](N2CCc3ncc(Cl)cc3C2)C[C@@H]1C ZINC001172378886 1132169416 /nfs/dbraw/zinc/16/94/16/1132169416.db2.gz MXBKPERQZOPSLM-TYNCELHUSA-N 0 1 278.827 3.918 20 0 CHADMN CC[C@H](C)OCC[C@@H](C)N1CCc2nc(Cl)ccc2C1 ZINC001172344430 1132178971 /nfs/dbraw/zinc/17/89/71/1132178971.db2.gz YAGBMLMBKINHIC-OLZOCXBDSA-N 0 1 296.842 3.687 20 0 CHADMN CN(Cc1c[nH]c2cc(Cl)ccc12)Cc1ccncc1 ZINC001141580289 1132188822 /nfs/dbraw/zinc/18/88/22/1132188822.db2.gz ZWBKIMYCZVPLJC-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CCOCC[C@@H](C)NCc1c(F)ccc(F)c1Cl ZINC001172408643 1132198536 /nfs/dbraw/zinc/19/85/36/1132198536.db2.gz KSYYSLPSXSZXGN-SECBINFHSA-N 0 1 277.742 3.523 20 0 CHADMN CCC[C@H](C(=O)c1ccccc1)N(C)[C@@H](C)CCOCC ZINC001172428164 1132205750 /nfs/dbraw/zinc/20/57/50/1132205750.db2.gz YRYAAFWVJFAMSS-DOTOQJQBSA-N 0 1 291.435 3.785 20 0 CHADMN C[C@@H]1CC[C@H](N2Cc3cnc(Cl)cc3C2)C[C@@H]1C ZINC001172383482 1132210012 /nfs/dbraw/zinc/21/00/12/1132210012.db2.gz QYIPGYSVVINPPQ-SUNKGSAMSA-N 0 1 264.800 3.875 20 0 CHADMN CC1CC([N@@H+](C)Cc2cc3cccnc3cc2F)C1 ZINC001141623890 1132213692 /nfs/dbraw/zinc/21/36/92/1132213692.db2.gz WPRBUIDAYZPGIG-UHFFFAOYSA-N 0 1 258.340 3.604 20 0 CHADMN Fc1cc2ncccc2cc1CN1CCCC(F)(F)CC1 ZINC001141623534 1132213943 /nfs/dbraw/zinc/21/39/43/1132213943.db2.gz KUFDRLVYLKXCKP-UHFFFAOYSA-N 0 1 294.320 3.995 20 0 CHADMN CCCCCC[C@H](CCC)NCc1nnc(C)o1 ZINC001172390465 1132214582 /nfs/dbraw/zinc/21/45/82/1132214582.db2.gz LXADQYQOFTVLJM-ZDUSSCGKSA-N 0 1 253.390 3.607 20 0 CHADMN Fc1ccc2nc(CN3CC4(C3)CCCC4)ccc2c1 ZINC001141640441 1132220351 /nfs/dbraw/zinc/22/03/51/1132220351.db2.gz ZNIZRSCPXPYKMU-UHFFFAOYSA-N 0 1 270.351 3.750 20 0 CHADMN O=C(c1cccc(C[N@H+]2CCCC23CCC3)c1)C(F)(F)F ZINC000839584435 1132225879 /nfs/dbraw/zinc/22/58/79/1132225879.db2.gz SKTNNQURLMCAER-UHFFFAOYSA-N 0 1 297.320 3.950 20 0 CHADMN CC(C)COCC[C@@H](C)N1Cc2ccc(F)cc2C1 ZINC001172476926 1132227370 /nfs/dbraw/zinc/22/73/70/1132227370.db2.gz UHFPYAKRUAEJGF-CYBMUJFWSA-N 0 1 265.372 3.593 20 0 CHADMN C[C@H](Oc1cc2[nH]ncc2c(F)c1)c1cccc(N(C)C)c1 ZINC001230930844 1132230254 /nfs/dbraw/zinc/23/02/54/1132230254.db2.gz IYLQTJIOUWKXAR-NSHDSACASA-N 0 1 299.349 3.908 20 0 CHADMN CC(C)COCC[C@H](C)N[C@H]1CCCCC1(F)F ZINC001172460233 1132241475 /nfs/dbraw/zinc/24/14/75/1132241475.db2.gz PTRRBUBHGKLVHD-STQMWFEESA-N 0 1 263.372 3.605 20 0 CHADMN CC(C)COCC[C@H](C)N1CCO[C@@H](c2ccccc2)C1 ZINC001172467353 1132244390 /nfs/dbraw/zinc/24/43/90/1132244390.db2.gz FDOJKWQLPFNDPZ-FUHWJXTLSA-N 0 1 291.435 3.511 20 0 CHADMN Cc1nc([C@@H](C)SC2=Nc3ccccc3CS2)n[nH]1 ZINC000840076876 1132245241 /nfs/dbraw/zinc/24/52/41/1132245241.db2.gz IOBQIBNTSBJJHY-MRVPVSSYSA-N 0 1 290.417 3.842 20 0 CHADMN CCCCN(Cn1ccsc1=O)[C@@H]1CCC[C@H](C)C1 ZINC000840091460 1132247989 /nfs/dbraw/zinc/24/79/89/1132247989.db2.gz XCCMCKUKFHFDQG-UONOGXRCSA-N 0 1 282.453 3.548 20 0 CHADMN Cc1ccccc1[C@H](C)Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001231074077 1132251868 /nfs/dbraw/zinc/25/18/68/1132251868.db2.gz KHEUTKJASKWZOW-NSHDSACASA-N 0 1 298.317 3.923 20 0 CHADMN CCCOC1CN([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172553292 1132265130 /nfs/dbraw/zinc/26/51/30/1132265130.db2.gz PIQFXECOLADJHA-SJORKVTESA-N 0 1 273.420 3.824 20 0 CHADMN O=C(c1ccccc1O)c1ccccc1OC1CCC1 ZINC001231210609 1132272022 /nfs/dbraw/zinc/27/20/22/1132272022.db2.gz UPQUPRXEZGJMAE-UHFFFAOYSA-N 0 1 268.312 3.555 20 0 CHADMN COC[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccco1 ZINC000840726464 1132278017 /nfs/dbraw/zinc/27/80/17/1132278017.db2.gz YZYRYGSAXJOPNP-AEGPPILISA-N 0 1 295.423 3.539 20 0 CHADMN Clc1nccnc1CN[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172548733 1132282260 /nfs/dbraw/zinc/28/22/60/1132282260.db2.gz JVHSJRKEHXVXEI-ZIAGYGMSSA-N 0 1 287.794 3.556 20 0 CHADMN Cc1onc(-c2ccccc2)c1CN1CC2(CCC2)C1 ZINC001141980668 1132283430 /nfs/dbraw/zinc/28/34/30/1132283430.db2.gz ASPLHSIYPGDZKF-UHFFFAOYSA-N 0 1 268.360 3.636 20 0 CHADMN Cc1onc(-c2ccccc2)c1CN1C[C@H](F)C[C@H]1C ZINC001141979110 1132284279 /nfs/dbraw/zinc/28/42/79/1132284279.db2.gz OMKDFGZFNGVBFS-BXUZGUMPSA-N 0 1 274.339 3.582 20 0 CHADMN CCOc1ccccc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000170717066 1132285233 /nfs/dbraw/zinc/28/52/33/1132285233.db2.gz NOWXORYHESEXJG-CYBMUJFWSA-N 0 1 287.325 3.860 20 0 CHADMN CC1(C)CC(N[C@@H]2CCCCC2(F)F)CC(C)(C)O1 ZINC001172651324 1132288225 /nfs/dbraw/zinc/28/82/25/1132288225.db2.gz ZRGSDIQOVNBYFC-GFCCVEGCSA-N 0 1 275.383 3.890 20 0 CHADMN CC1CN(Cc2sccc2Oc2ccccc2)C1 ZINC001141994540 1132288816 /nfs/dbraw/zinc/28/88/16/1132288816.db2.gz OTJXFAOHUGCQJB-UHFFFAOYSA-N 0 1 259.374 3.992 20 0 CHADMN COc1c(F)ccc(F)c1CN(C)CC1CCCC1 ZINC001231414467 1132290485 /nfs/dbraw/zinc/29/04/85/1132290485.db2.gz VBZYDXLDSPAZCX-UHFFFAOYSA-N 0 1 269.335 3.595 20 0 CHADMN CCCO[C@H]1CCN(Cc2ccc(C)c(Cl)c2)C1 ZINC001231423229 1132292727 /nfs/dbraw/zinc/29/27/27/1132292727.db2.gz WPLCCYYTIKRDLO-AWEZNQCLSA-N 0 1 267.800 3.649 20 0 CHADMN Cc1n[nH]cc1-c1nc(-c2ccc3ccccc3c2)no1 ZINC001212677814 1132292889 /nfs/dbraw/zinc/29/28/89/1132292889.db2.gz RLTSHTPJHFDGDE-UHFFFAOYSA-N 0 1 276.299 3.588 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2F)Cc2ccccc21 ZINC001231456410 1132296096 /nfs/dbraw/zinc/29/60/96/1132296096.db2.gz WYEAKBZGJRCKIA-GFCCVEGCSA-N 0 1 299.345 3.643 20 0 CHADMN CSc1cc(C)ccc1NC(=S)NCC(C)C ZINC000840856730 1132296421 /nfs/dbraw/zinc/29/64/21/1132296421.db2.gz KCPAZOCGMRKYLX-UHFFFAOYSA-N 0 1 268.451 3.659 20 0 CHADMN c1cc2c(cn1)CC[N@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172726148 1132299844 /nfs/dbraw/zinc/29/98/44/1132299844.db2.gz BYKNFKWXSSNNTH-UHFFFAOYSA-N 0 1 270.420 3.943 20 0 CHADMN Cc1cc(C)c(CN2CCc3cccnc3C2)cc1C ZINC001231485807 1132300709 /nfs/dbraw/zinc/30/07/09/1132300709.db2.gz MSSFRVRJDQSMHZ-UHFFFAOYSA-N 0 1 266.388 3.565 20 0 CHADMN CSc1ccc(CN2CCC[C@@H](C(F)F)C2)s1 ZINC001142027781 1132300813 /nfs/dbraw/zinc/30/08/13/1132300813.db2.gz LNFVHQOSKTWRRH-SECBINFHSA-N 0 1 277.405 3.947 20 0 CHADMN CC(C)OCC(C)(C)NCc1ccnc(Cl)c1Cl ZINC000840973762 1132315933 /nfs/dbraw/zinc/31/59/33/1132315933.db2.gz OYYUQTGEJLSCSC-UHFFFAOYSA-N 0 1 291.222 3.682 20 0 CHADMN FC1(F)C[C@H]2C[N@H+](C3CCC4(CCCC4)CC3)CCN2C1 ZINC001172729840 1132304245 /nfs/dbraw/zinc/30/42/45/1132304245.db2.gz MSCSBBYFIWWICE-HNNXBMFYSA-N 0 1 298.421 3.515 20 0 CHADMN FC1(F)C[C@H]2CN(C3CCC4(CCCC4)CC3)CCN2C1 ZINC001172729840 1132304250 /nfs/dbraw/zinc/30/42/50/1132304250.db2.gz MSCSBBYFIWWICE-HNNXBMFYSA-N 0 1 298.421 3.515 20 0 CHADMN Fc1ccc(CNc2nccn2C2CC2)cc1C(F)(F)F ZINC000840887398 1132304353 /nfs/dbraw/zinc/30/43/53/1132304353.db2.gz NDNGHKZNHFAYNJ-UHFFFAOYSA-N 0 1 299.271 3.988 20 0 CHADMN CCc1ccc(CN(CC)Cc2cccnc2)s1 ZINC001231502103 1132305718 /nfs/dbraw/zinc/30/57/18/1132305718.db2.gz ZEJUVWNZNRWCHP-UHFFFAOYSA-N 0 1 260.406 3.728 20 0 CHADMN CCc1ccc(CN(C)Cc2cccnc2C)s1 ZINC001231503149 1132308316 /nfs/dbraw/zinc/30/83/16/1132308316.db2.gz QAQZQDZGGOWLJJ-UHFFFAOYSA-N 0 1 260.406 3.646 20 0 CHADMN F[C@H]1CCN(Cc2cccc(-c3ccccc3)c2)C1 ZINC001231507552 1132308449 /nfs/dbraw/zinc/30/84/49/1132308449.db2.gz DXOZPGSJYJUPDE-KRWDZBQOSA-N 0 1 255.336 3.897 20 0 CHADMN CC(=O)c1ccc(Nc2ccc3[nH]c(C)nc3c2)cc1O ZINC001213074148 1132309656 /nfs/dbraw/zinc/30/96/56/1132309656.db2.gz GHEVFYUCULLILE-UHFFFAOYSA-N 0 1 281.315 3.523 20 0 CHADMN CN(Cc1c[nH]c2cnccc12)Cc1ccccc1Cl ZINC001231518596 1132310181 /nfs/dbraw/zinc/31/01/81/1132310181.db2.gz KDZAACXOOROQQT-UHFFFAOYSA-N 0 1 285.778 3.848 20 0 CHADMN CC(C)OC(=O)CC[C@H](C)N(C)Cc1ccccc1Cl ZINC001172758546 1132310582 /nfs/dbraw/zinc/31/05/82/1132310582.db2.gz ATWPEHAPEIISGC-ZDUSSCGKSA-N 0 1 297.826 3.892 20 0 CHADMN Cc1nc2cc(Nc3cc(O)c(F)cc3F)ccc2[nH]1 ZINC001213074198 1132311739 /nfs/dbraw/zinc/31/17/39/1132311739.db2.gz IUKZOEUXFLPMKQ-UHFFFAOYSA-N 0 1 275.258 3.599 20 0 CHADMN C[C@@H]1CCN(Cc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC001231582431 1132319196 /nfs/dbraw/zinc/31/91/96/1132319196.db2.gz MGMQKLZWAMIBKC-NEPJUHHUSA-N 0 1 264.438 3.642 20 0 CHADMN COc1cc(F)ccc1C[N@H+]1CCC2(C1)CCCCC2 ZINC001231605641 1132325820 /nfs/dbraw/zinc/32/58/20/1132325820.db2.gz RMQOLSNPMCZDFR-UHFFFAOYSA-N 0 1 277.383 3.991 20 0 CHADMN Cc1sc2ccccc2c1CN1C[C@@H](C)O[C@@H](C)C1 ZINC001231643753 1132330308 /nfs/dbraw/zinc/33/03/08/1132330308.db2.gz AOWLZVSPDALZQP-TXEJJXNPSA-N 0 1 275.417 3.819 20 0 CHADMN Cc1sc2ccccc2c1C[N@@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001231645138 1132334860 /nfs/dbraw/zinc/33/48/60/1132334860.db2.gz SBINIOBHWOURFT-YGRLFVJLSA-N 0 1 263.381 4.000 20 0 CHADMN CCOc1ccc(CN2CCC[C@H]2c2cccs2)cn1 ZINC001231653147 1132336191 /nfs/dbraw/zinc/33/61/91/1132336191.db2.gz OBMCRFORHRCYQL-AWEZNQCLSA-N 0 1 288.416 3.879 20 0 CHADMN C[C@@H]1CN(Cc2[nH]cnc2C(C)(C)C)Cc2ccccc21 ZINC001142209737 1132342073 /nfs/dbraw/zinc/34/20/73/1132342073.db2.gz TZUCXIRLTNVAAS-CYBMUJFWSA-N 0 1 283.419 3.827 20 0 CHADMN C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(Cl)c([O-])c1 ZINC001231733096 1132348728 /nfs/dbraw/zinc/34/87/28/1132348728.db2.gz MLEFKKKDPGRRQM-QWRGUYRKSA-N 0 1 253.773 3.809 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(Cl)c([O-])c1 ZINC001231733095 1132350554 /nfs/dbraw/zinc/35/05/54/1132350554.db2.gz MLEFKKKDPGRRQM-PHIMTYICSA-N 0 1 253.773 3.809 20 0 CHADMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(Cl)c([O-])c1 ZINC001231733095 1132350562 /nfs/dbraw/zinc/35/05/62/1132350562.db2.gz MLEFKKKDPGRRQM-PHIMTYICSA-N 0 1 253.773 3.809 20 0 CHADMN C[C@]1(F)CCCCN(Cc2ccc3c(c2)OCCCO3)C1 ZINC001142251077 1132356117 /nfs/dbraw/zinc/35/61/17/1132356117.db2.gz MWULFCSECYHOFR-KRWDZBQOSA-N 0 1 293.382 3.562 20 0 CHADMN C[C@@H](CSc1ccc(Cl)cc1)N1C[C@@H](C)OC[C@@H]1C ZINC001172885844 1132357938 /nfs/dbraw/zinc/35/79/38/1132357938.db2.gz WHLGOWQELJTMDV-RWMBFGLXSA-N 0 1 299.867 3.930 20 0 CHADMN Cc1ccc(C2=CCN(Cc3ccccn3)CC2)cc1 ZINC000841369184 1132358229 /nfs/dbraw/zinc/35/82/29/1132358229.db2.gz KWRNSVHQZYXCIV-UHFFFAOYSA-N 0 1 264.372 3.679 20 0 CHADMN Cc1ccc(-c2ccc(CN3CCO[C@H](C)C3)cc2)cc1 ZINC001142300433 1132362580 /nfs/dbraw/zinc/36/25/80/1132362580.db2.gz IFRVCXLTSZBLMF-MRXNPFEDSA-N 0 1 281.399 3.883 20 0 CHADMN CO[C@H]1CN(Cc2ccccc2-c2ccccc2C)C[C@@H]1F ZINC001231813127 1132371747 /nfs/dbraw/zinc/37/17/47/1132371747.db2.gz YFHLCQYXPQHKIF-OALUTQOASA-N 0 1 299.389 3.831 20 0 CHADMN Cc1csc2sc(CN3CC[C@]34CCOC4)c(C)c12 ZINC001231831461 1132375012 /nfs/dbraw/zinc/37/50/12/1132375012.db2.gz NNLKZRZCEWQYIA-OAHLLOKOSA-N 0 1 293.457 3.944 20 0 CHADMN CSc1ncc(CN2CCC[C@@H]3CCC[C@@H]32)c(Cl)n1 ZINC001142431775 1132387219 /nfs/dbraw/zinc/38/72/19/1132387219.db2.gz KIROIRWBVKYJCR-JQWIXIFHSA-N 0 1 297.855 3.616 20 0 CHADMN CSc1ncc(CN2C3CCCC2CCC3)c(Cl)n1 ZINC001142435727 1132388437 /nfs/dbraw/zinc/38/84/37/1132388437.db2.gz OLOUJGIQCSNFDK-UHFFFAOYSA-N 0 1 297.855 3.759 20 0 CHADMN FC(F)c1cc(CN2CCCC3(CCC3)C2)ccn1 ZINC001231894346 1132394697 /nfs/dbraw/zinc/39/46/97/1132394697.db2.gz VAOMPWJYIDYNOV-UHFFFAOYSA-N 0 1 266.335 3.785 20 0 CHADMN COc1cccc2c(CN3CCC[C@](C)(F)C3)c[nH]c21 ZINC001231895984 1132397292 /nfs/dbraw/zinc/39/72/92/1132397292.db2.gz RPBCZARAZUSEDC-INIZCTEOSA-N 0 1 276.355 3.501 20 0 CHADMN Cc1cc(CN2CC[C@@H](c3cccc(F)c3)C2)cnc1F ZINC001231927135 1132401647 /nfs/dbraw/zinc/40/16/47/1132401647.db2.gz KHTKHQOVDDADIP-OAHLLOKOSA-N 0 1 288.341 3.658 20 0 CHADMN COc1ccnc(CN2CCC(c3cccs3)CC2)c1 ZINC001231969230 1132404247 /nfs/dbraw/zinc/40/42/47/1132404247.db2.gz XGRDJVHKYXVICB-UHFFFAOYSA-N 0 1 288.416 3.531 20 0 CHADMN Cc1cc(F)ncc1CN1CC=C(c2ccccc2)CC1 ZINC001231984077 1132405113 /nfs/dbraw/zinc/40/51/13/1132405113.db2.gz MVXVLGUXFHAEHB-UHFFFAOYSA-N 0 1 282.362 3.818 20 0 CHADMN Fc1ncc(Cl)cc1CN1CCC[C@H]2CCC[C@H]21 ZINC001231994106 1132406655 /nfs/dbraw/zinc/40/66/55/1132406655.db2.gz BNABFFFTXOCFPN-ZWNOBZJWSA-N 0 1 268.763 3.639 20 0 CHADMN Cc1ccc([C@@H]2CCCN2Cc2cc(C)nc(C)c2)cn1 ZINC001232001677 1132409670 /nfs/dbraw/zinc/40/96/70/1132409670.db2.gz VMERHHSBCPDROM-SFHVURJKSA-N 0 1 281.403 3.739 20 0 CHADMN Cc1ccccc1-c1cccc(NC(=O)CN(C)C(C)C)c1 ZINC001142588277 1132411731 /nfs/dbraw/zinc/41/17/31/1132411731.db2.gz NGLBAQKAIFANMR-UHFFFAOYSA-N 0 1 296.414 3.941 20 0 CHADMN C[C@H]1Cc2ccccc2CN1Cc1cc2ncccc2[nH]1 ZINC001232065724 1132416995 /nfs/dbraw/zinc/41/69/95/1132416995.db2.gz GBDIBUPXWWCUCE-ZDUSSCGKSA-N 0 1 277.371 3.510 20 0 CHADMN CC[C@@H]1CCCN(Cc2cccc(C(F)(F)F)n2)C1 ZINC001232072039 1132418531 /nfs/dbraw/zinc/41/85/31/1132418531.db2.gz YEHVLXANQUFOPI-LLVKDONJSA-N 0 1 272.314 3.722 20 0 CHADMN C[N@H+](Cc1ccc(Cl)cc1C(=O)[O-])C[C@H]1CC1(C)C ZINC001142660021 1132419242 /nfs/dbraw/zinc/41/92/42/1132419242.db2.gz ARYQGENUAOVKRG-LLVKDONJSA-N 0 1 281.783 3.516 20 0 CHADMN Cc1ccc([C@H]2CCCN2Cc2ccc(C)nc2C)cn1 ZINC001232085305 1132420863 /nfs/dbraw/zinc/42/08/63/1132420863.db2.gz PKIKMEBAIRZFAP-GOSISDBHSA-N 0 1 281.403 3.739 20 0 CHADMN O=C([O-])c1cc(Cl)ccc1C[N@H+]1CCCC2(CCC2)C1 ZINC001142669554 1132422288 /nfs/dbraw/zinc/42/22/88/1132422288.db2.gz QUMMVRKCZJKSTM-UHFFFAOYSA-N 0 1 293.794 3.804 20 0 CHADMN CCN(Cc1cnc(-c2cccnc2)o1)Cc1ccccc1 ZINC001232131843 1132425769 /nfs/dbraw/zinc/42/57/69/1132425769.db2.gz WHWOUTQESUPOFR-UHFFFAOYSA-N 0 1 293.370 3.759 20 0 CHADMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cn(C)nc1C1CC1 ZINC001232171011 1132429251 /nfs/dbraw/zinc/42/92/51/1132429251.db2.gz BYYSTEPDABQWDE-SFHVURJKSA-N 0 1 295.430 3.807 20 0 CHADMN CC(=O)Nc1ccc(CN2Cc3cccc(C)c3C2)c(C)c1 ZINC001232181913 1132431570 /nfs/dbraw/zinc/43/15/70/1132431570.db2.gz NKQDIFZEBULRIV-UHFFFAOYSA-N 0 1 294.398 3.778 20 0 CHADMN Cc1scnc1CN1CCC2(CCCC2)CC1 ZINC001232210573 1132436155 /nfs/dbraw/zinc/43/61/55/1132436155.db2.gz QMFFNHPWRWISDT-UHFFFAOYSA-N 0 1 250.411 3.608 20 0 CHADMN Cc1nc(Br)ccc1CN1CCCC1(C)C ZINC001232320299 1132454136 /nfs/dbraw/zinc/45/41/36/1132454136.db2.gz RXURRDXNHMYIKP-UHFFFAOYSA-N 0 1 283.213 3.527 20 0 CHADMN CC(C)(C)c1cc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)ccn1 ZINC001232215160 1132436466 /nfs/dbraw/zinc/43/64/66/1132436466.db2.gz GACGTHMTHWRYAV-OKILXGFUSA-N 0 1 294.389 3.856 20 0 CHADMN CC(C)(C)c1cc(CN2CCc3ccccc3C2)ccn1 ZINC001232212944 1132436693 /nfs/dbraw/zinc/43/66/93/1132436693.db2.gz OAZIPXFWCYOLFJ-UHFFFAOYSA-N 0 1 280.415 3.937 20 0 CHADMN Cc1scnc1CN1CCC2(CCc3ccccc32)CC1 ZINC001232211171 1132437092 /nfs/dbraw/zinc/43/70/92/1132437092.db2.gz YRFHWKJAJYVARS-UHFFFAOYSA-N 0 1 298.455 3.932 20 0 CHADMN CC(C)(C)c1cc(CN2CC3(C2)CCCC3)ccn1 ZINC001232214834 1132437699 /nfs/dbraw/zinc/43/76/99/1132437699.db2.gz ZYCPQBDHICPPMW-UHFFFAOYSA-N 0 1 258.409 3.755 20 0 CHADMN COc1cccc([C@@H]2CCCN(Cc3cnsc3)C2)c1 ZINC001232232001 1132440183 /nfs/dbraw/zinc/44/01/83/1132440183.db2.gz ZWDQFCRGSBFCGN-OAHLLOKOSA-N 0 1 288.416 3.531 20 0 CHADMN CCCCCC[C@@H](C)Cc1nc(C2(N)CCC2)no1 ZINC000842616576 1132443571 /nfs/dbraw/zinc/44/35/71/1132443571.db2.gz CQOGERNYBJAMAQ-GFCCVEGCSA-N 0 1 265.401 3.557 20 0 CHADMN CC[C@H]1CC[C@H](n2cncc2CNCc2ccccc2)C1 ZINC001173295177 1132444650 /nfs/dbraw/zinc/44/46/50/1132444650.db2.gz QDDIPOMZQIZODL-RDJZCZTQSA-N 0 1 283.419 3.924 20 0 CHADMN c1ccc([C@@H]2CCC[C@@H]2c2nc([C@@H]3CCCN3)no2)cc1 ZINC000842636921 1132446010 /nfs/dbraw/zinc/44/60/10/1132446010.db2.gz OESNDPCQFRXTPE-KKUMJFAQSA-N 0 1 283.375 3.545 20 0 CHADMN CCSC[C@@H](C)N1CCc2ccc(Cl)cc2C1 ZINC001173301525 1132447079 /nfs/dbraw/zinc/44/70/79/1132447079.db2.gz VRULKTWFMIYFEZ-LLVKDONJSA-N 0 1 269.841 3.840 20 0 CHADMN CC(C)Cn1nccc1CNCc1coc2ccccc12 ZINC000842679603 1132450304 /nfs/dbraw/zinc/45/03/04/1132450304.db2.gz OUKCGIKBACJGRV-UHFFFAOYSA-N 0 1 283.375 3.575 20 0 CHADMN CCSC[C@@H](C)N1CCO[C@@](C)(c2ccc(C)cc2)C1 ZINC001173312639 1132450833 /nfs/dbraw/zinc/45/08/33/1132450833.db2.gz VBBKKQSEJFEEPB-NVXWUHKLSA-N 0 1 293.476 3.684 20 0 CHADMN CCOc1ccc(CN(C)Cc2ccc(F)cc2)c(C)n1 ZINC001232308706 1132453002 /nfs/dbraw/zinc/45/30/02/1132453002.db2.gz VFJIELNSWRTOMN-UHFFFAOYSA-N 0 1 288.366 3.560 20 0 CHADMN CCOc1ccc(CN2CCC[C@H]2c2cccnc2)c(C)n1 ZINC001232308534 1132453247 /nfs/dbraw/zinc/45/32/47/1132453247.db2.gz QXNYDGXCCPBPHK-KRWDZBQOSA-N 0 1 297.402 3.521 20 0 CHADMN CCN(Cc1cccs1)Cc1ccc(SC)nc1 ZINC001232329829 1132456760 /nfs/dbraw/zinc/45/67/60/1132456760.db2.gz GUJDUPXBVSBEHQ-UHFFFAOYSA-N 0 1 278.446 3.887 20 0 CHADMN COc1cc(C)c(CN(C)Cc2ccc(Cl)cc2)cn1 ZINC001232352032 1132459727 /nfs/dbraw/zinc/45/97/27/1132459727.db2.gz CRXMZOHFMNAUFF-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN COc1cc(CN2CCCC[C@H]2C)c(OC)cc1Cl ZINC001232370243 1132460653 /nfs/dbraw/zinc/46/06/53/1132460653.db2.gz LZNDOIWINIVEHY-LLVKDONJSA-N 0 1 283.799 3.732 20 0 CHADMN COc1cc(CN2CCC(C)(C)CC2)c(OC)cc1Cl ZINC001232374041 1132460987 /nfs/dbraw/zinc/46/09/87/1132460987.db2.gz XNGBRAABACYFBD-UHFFFAOYSA-N 0 1 297.826 3.979 20 0 CHADMN COc1cc(CN2CC[C@@H](C)C[C@H]2C)c(OC)cc1Cl ZINC001232374551 1132462102 /nfs/dbraw/zinc/46/21/02/1132462102.db2.gz WMDMIRABGBAKCA-VXGBXAGGSA-N 0 1 297.826 3.978 20 0 CHADMN Cn1cc2c(n1)CCN([C@H]1CCCC3(CCCCC3)C1)C2 ZINC001173344070 1132470666 /nfs/dbraw/zinc/47/06/66/1132470666.db2.gz QLZQIBRNFIKNJT-INIZCTEOSA-N 0 1 287.451 3.671 20 0 CHADMN C[C@H]1CCN(Cc2ccc(C(F)(F)F)o2)[C@@H](C)C1 ZINC001232443696 1132471364 /nfs/dbraw/zinc/47/13/64/1132471364.db2.gz BSUHLOHVBPBBPU-UWVGGRQHSA-N 0 1 261.287 3.919 20 0 CHADMN C[C@H](NCc1ccc(F)c(F)c1F)c1ccccc1 ZINC000083481110 1132473132 /nfs/dbraw/zinc/47/31/32/1132473132.db2.gz QVMCDQSZSXYGKX-JTQLQIEISA-N 0 1 265.278 3.955 20 0 CHADMN COc1ccc([C@@H](CC(C)C)N[C@H]2CCn3ccnc32)cc1 ZINC000842871752 1132473888 /nfs/dbraw/zinc/47/38/88/1132473888.db2.gz SGLDXPCBCAUKOD-DLBZAZTESA-N 0 1 299.418 3.714 20 0 CHADMN CCCN(CCc1ccccn1)Cc1nc(CC)cs1 ZINC001232474823 1132475199 /nfs/dbraw/zinc/47/51/99/1132475199.db2.gz FQLXJUJYOUMHIP-UHFFFAOYSA-N 0 1 289.448 3.555 20 0 CHADMN Cc1ccc(N2CCN(Cc3c(C)cccc3F)CC2)cc1 ZINC001232481290 1132476985 /nfs/dbraw/zinc/47/69/85/1132476985.db2.gz CQHNJHDLTCGSJQ-UHFFFAOYSA-N 0 1 298.405 3.765 20 0 CHADMN Cc1cccc(F)c1CN1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC001232485055 1132477271 /nfs/dbraw/zinc/47/72/71/1132477271.db2.gz PYYAAFJTCVWNRY-IBGZPJMESA-N 0 1 298.405 3.623 20 0 CHADMN Cc1cccc(F)c1CN1CCN(C)[C@H](c2ccccc2)C1 ZINC001232485055 1132477279 /nfs/dbraw/zinc/47/72/79/1132477279.db2.gz PYYAAFJTCVWNRY-IBGZPJMESA-N 0 1 298.405 3.623 20 0 CHADMN Cc1ccccc1[C@H]1CCCN1Cc1cc(F)ccn1 ZINC001232492785 1132480159 /nfs/dbraw/zinc/48/01/59/1132480159.db2.gz MESNMSYLGBNOSU-QGZVFWFLSA-N 0 1 270.351 3.866 20 0 CHADMN Cc1cccc(F)c1CN(C)C[C@H]1Cc2ccccc2O1 ZINC001232488050 1132480437 /nfs/dbraw/zinc/48/04/37/1132480437.db2.gz XMUHPYQQHHNTTE-OAHLLOKOSA-N 0 1 285.362 3.570 20 0 CHADMN Nc1ccc(F)cc1CN1CCC[C@H]1c1cccc(F)c1 ZINC001232511153 1132482020 /nfs/dbraw/zinc/48/20/20/1132482020.db2.gz VVHVLYFIQFFGAW-KRWDZBQOSA-N 0 1 288.341 3.884 20 0 CHADMN Nc1ccc(F)cc1CN1CCC[C@H]1c1ccccc1F ZINC001232510742 1132482149 /nfs/dbraw/zinc/48/21/49/1132482149.db2.gz KBNHJNJGJBFCOI-KRWDZBQOSA-N 0 1 288.341 3.884 20 0 CHADMN Cc1cccc(CN(C)Cc2cc3ccoc3cn2)c1 ZINC001232549809 1132486423 /nfs/dbraw/zinc/48/64/23/1132486423.db2.gz NCJKNXUSFAFKMC-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN Fc1cc2c(cc1F)CC([N@H+]1CC[C@@H]1c1ccccc1)C2 ZINC001173482405 1132486391 /nfs/dbraw/zinc/48/63/91/1132486391.db2.gz FSXZEAMYAKKGFJ-GOSISDBHSA-N 0 1 285.337 3.879 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1cc2ccoc2cn1 ZINC001232550508 1132486509 /nfs/dbraw/zinc/48/65/09/1132486509.db2.gz XGGTUJZKZUNHCF-CYBMUJFWSA-N 0 1 278.355 3.947 20 0 CHADMN C[C@@]1(F)CCCN(Cc2nc3ccccc3o2)CC1 ZINC001232555178 1132487027 /nfs/dbraw/zinc/48/70/27/1132487027.db2.gz PGJTXRASEBFQJB-OAHLLOKOSA-N 0 1 262.328 3.542 20 0 CHADMN CN(CC/C=C/c1cccnc1)Cc1nc2ccccc2o1 ZINC001232559344 1132487957 /nfs/dbraw/zinc/48/79/57/1132487957.db2.gz LXCPZVVQRVVVMF-QPJJXVBHSA-N 0 1 293.370 3.758 20 0 CHADMN CCOc1ccnc(CN(C)Cc2ccc(CC)cc2)c1 ZINC001232584953 1132490332 /nfs/dbraw/zinc/49/03/32/1132490332.db2.gz UDXYVYTVMYGFMD-UHFFFAOYSA-N 0 1 284.403 3.675 20 0 CHADMN Cn1nc(-c2ccccc2)cc1CN1CC2(C1)CCCCC2 ZINC001143014878 1132493407 /nfs/dbraw/zinc/49/34/07/1132493407.db2.gz AZJWYXWWCQRCON-UHFFFAOYSA-N 0 1 295.430 3.853 20 0 CHADMN F[C@@H]1CSC2(CN(Cc3ccc4ccsc4c3)C2)C1 ZINC001232613752 1132493831 /nfs/dbraw/zinc/49/38/31/1132493831.db2.gz BIAXVPHJZBLNDN-ZDUSSCGKSA-N 0 1 293.432 3.931 20 0 CHADMN C[C@@]1(CF)CC[N@H+](Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232623982 1132496622 /nfs/dbraw/zinc/49/66/22/1132496622.db2.gz AFSXSWIDVYELOK-ZDUSSCGKSA-N 0 1 292.181 3.881 20 0 CHADMN C[C@@]1(CF)CC[N@@H+](Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232623982 1132496625 /nfs/dbraw/zinc/49/66/25/1132496625.db2.gz AFSXSWIDVYELOK-ZDUSSCGKSA-N 0 1 292.181 3.881 20 0 CHADMN COc1ccc2c(c1)CCN(Cc1c(C)cccc1OC)C2 ZINC001232620845 1132497393 /nfs/dbraw/zinc/49/73/93/1132497393.db2.gz UNEYYKJPEWPBFK-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN CC(C)[C@H](N)c1noc([C@@H](C)Cc2cccc(Cl)c2)n1 ZINC000843152153 1132497828 /nfs/dbraw/zinc/49/78/28/1132497828.db2.gz PWTLYPNZCNFQTD-GWCFXTLKSA-N 0 1 293.798 3.725 20 0 CHADMN [O-]c1c(Cl)ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1Cl ZINC001232627078 1132498930 /nfs/dbraw/zinc/49/89/30/1132498930.db2.gz ABLISYZBZQNGCU-ATZCPNFKSA-N 0 1 290.165 3.631 20 0 CHADMN O=C1CCN(Cc2cccc3c2CCCC3)[C@H]2CCCC[C@@H]12 ZINC001232633510 1132498554 /nfs/dbraw/zinc/49/85/54/1132498554.db2.gz AVTMFVITNKSRSG-MOPGFXCFSA-N 0 1 297.442 3.899 20 0 CHADMN [O-]c1c(Cl)ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c1Cl ZINC001232627060 1132498688 /nfs/dbraw/zinc/49/86/88/1132498688.db2.gz DUTAKBNXDUKWHB-WCBMZHEXSA-N 0 1 272.175 3.683 20 0 CHADMN CCC[C@H](C)c1noc([C@@H](CC(C)(C)C)NC)n1 ZINC000843182158 1132500419 /nfs/dbraw/zinc/50/04/19/1132500419.db2.gz KUYDGDIKKMEDDH-WDEREUQCSA-N 0 1 253.390 3.670 20 0 CHADMN Cc1nc(CN2CCC[C@@H]2C(C)C)ccc1Br ZINC001232669088 1132502951 /nfs/dbraw/zinc/50/29/51/1132502951.db2.gz NRRSHWIKCGDMAX-CQSZACIVSA-N 0 1 297.240 3.773 20 0 CHADMN F[C@@H]1CCCCN(Cc2cccc3ncsc32)C1 ZINC001232729493 1132509826 /nfs/dbraw/zinc/50/98/26/1132509826.db2.gz AERXZQOAVYEUNG-GFCCVEGCSA-N 0 1 264.369 3.620 20 0 CHADMN F[C@H]1CCCCN(Cc2cccc3ncsc32)C1 ZINC001232729494 1132510812 /nfs/dbraw/zinc/51/08/12/1132510812.db2.gz AERXZQOAVYEUNG-LBPRGKRZSA-N 0 1 264.369 3.620 20 0 CHADMN C[C@@]1(F)CCCN(Cc2cccc3ncsc32)C1 ZINC001232730684 1132510842 /nfs/dbraw/zinc/51/08/42/1132510842.db2.gz PLIPUYWPLPVPMD-CQSZACIVSA-N 0 1 264.369 3.620 20 0 CHADMN Cc1ncccc1CN(C)Cc1cccc2ncsc21 ZINC001232735803 1132511749 /nfs/dbraw/zinc/51/17/49/1132511749.db2.gz DSMGXFQSMNBXOG-UHFFFAOYSA-N 0 1 283.400 3.632 20 0 CHADMN CC[C@@H](C)NC(=S)Nc1ccc(F)cc1SC ZINC000843283861 1132514719 /nfs/dbraw/zinc/51/47/19/1132514719.db2.gz KZGJTPZHVOSLQY-MRVPVSSYSA-N 0 1 272.414 3.633 20 0 CHADMN Cc1c(CN2CCCC3(CCC3)C2)ccnc1Cl ZINC001232754760 1132517261 /nfs/dbraw/zinc/51/72/61/1132517261.db2.gz JBNWBAIDGPNDOJ-UHFFFAOYSA-N 0 1 264.800 3.810 20 0 CHADMN CC1CCC(C)(NC(=O)c2ccc(Cl)c(O)c2)CC1 ZINC001143200135 1132517318 /nfs/dbraw/zinc/51/73/18/1132517318.db2.gz XAVFTSCGWYQYPZ-UHFFFAOYSA-N 0 1 281.783 3.744 20 0 CHADMN [O-]c1cccc(C[N@@H+]2CCC23CCCCC3)c1Cl ZINC001232784138 1132518480 /nfs/dbraw/zinc/51/84/80/1132518480.db2.gz HILIPOLHFMDMRC-UHFFFAOYSA-N 0 1 265.784 3.954 20 0 CHADMN [O-]c1cccc(C[N@H+]2CCC23CCCCC3)c1Cl ZINC001232784138 1132518487 /nfs/dbraw/zinc/51/84/87/1132518487.db2.gz HILIPOLHFMDMRC-UHFFFAOYSA-N 0 1 265.784 3.954 20 0 CHADMN Cc1cc(CN2CC[C@@H](COCC3CC3)C2)c(F)cc1F ZINC001232787434 1132521959 /nfs/dbraw/zinc/52/19/59/1132521959.db2.gz ZQYOEJCONIWYSH-CQSZACIVSA-N 0 1 295.373 3.522 20 0 CHADMN COc1cc(CN2CC(c3ccccc3)C2)c(OC)cc1C ZINC001232835624 1132529084 /nfs/dbraw/zinc/52/90/84/1132529084.db2.gz GDWPYLKPRXTNIA-UHFFFAOYSA-N 0 1 297.398 3.612 20 0 CHADMN C[C@@H]1C[C@@H](C)CN(Cc2cc(Br)co2)C1 ZINC001232858093 1132530496 /nfs/dbraw/zinc/53/04/96/1132530496.db2.gz ZNDHOADHSOOSSE-NXEZZACHSA-N 0 1 272.186 3.520 20 0 CHADMN CC[C@@H]1CCCCN1Cc1cc(Br)co1 ZINC001232855759 1132530510 /nfs/dbraw/zinc/53/05/10/1132530510.db2.gz GMIVPTIUJRSKBA-LLVKDONJSA-N 0 1 272.186 3.807 20 0 CHADMN C[C@@H]1CCCCN(Cc2cc(Br)co2)C1 ZINC001232850172 1132531274 /nfs/dbraw/zinc/53/12/74/1132531274.db2.gz KUYMCBMQFKMNJQ-SNVBAGLBSA-N 0 1 272.186 3.664 20 0 CHADMN CC[C@@H]1CCCN1Cc1ccc(F)c(F)c1Cl ZINC001232875991 1132533025 /nfs/dbraw/zinc/53/30/25/1132533025.db2.gz JHBNWZBHAGFQQY-SNVBAGLBSA-N 0 1 259.727 3.993 20 0 CHADMN Cc1cc(O)cc(CN2CCSC[C@H]2c2ccccc2)c1 ZINC001232882767 1132535118 /nfs/dbraw/zinc/53/51/18/1132535118.db2.gz BIHJMYIUJWRXPZ-SFHVURJKSA-N 0 1 299.439 3.991 20 0 CHADMN CC[C@H]1CCCCN1Cc1ccc(F)c(OC)c1F ZINC001143321858 1132536658 /nfs/dbraw/zinc/53/66/58/1132536658.db2.gz PRWNOQHDZKVMTK-LBPRGKRZSA-N 0 1 269.335 3.738 20 0 CHADMN Cc1ccc(Nc2c(F)cccc2N2CCN(C)CC2)cc1 ZINC001173803623 1132537313 /nfs/dbraw/zinc/53/73/13/1132537313.db2.gz PORIEKGLSPODRM-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN CC(=O)C1CCN(Cc2cncc(-c3ccccc3)c2)CC1 ZINC001232900698 1132540934 /nfs/dbraw/zinc/54/09/34/1132540934.db2.gz DUBGXSGMGHXOBD-UHFFFAOYSA-N 0 1 294.398 3.550 20 0 CHADMN C[C@@H]1c2cccn2CCN1Cc1ccccc1-n1cccc1 ZINC001232912512 1132542303 /nfs/dbraw/zinc/54/23/03/1132542303.db2.gz ORGLITHWQCGHAV-MRXNPFEDSA-N 0 1 291.398 3.856 20 0 CHADMN CCC[N@H+](Cc1ccc(F)c([O-])c1F)CC(C)C ZINC001232939579 1132545431 /nfs/dbraw/zinc/54/54/31/1132545431.db2.gz JQDHKVUHQJKQOL-UHFFFAOYSA-N 0 1 257.324 3.538 20 0 CHADMN c1nc2ccc(CN3CC[C@H]3c3ccccc3)cc2o1 ZINC001232945569 1132547161 /nfs/dbraw/zinc/54/71/61/1132547161.db2.gz XAYLFQXXZFCAPQ-INIZCTEOSA-N 0 1 264.328 3.775 20 0 CHADMN CC(C)C1CCC(CNC(=O)c2cccc3nc[nH]c32)CC1 ZINC001150021274 1132550003 /nfs/dbraw/zinc/55/00/03/1132550003.db2.gz AUQHOSWBUNLRTC-UHFFFAOYSA-N 0 1 299.418 3.755 20 0 CHADMN Cc1ccc(CN(C)Cc2ccc(OC(F)F)nc2)cc1 ZINC001232952486 1132550165 /nfs/dbraw/zinc/55/01/65/1132550165.db2.gz AZCKEROCHZNDIV-UHFFFAOYSA-N 0 1 292.329 3.623 20 0 CHADMN Cc1ccc(NC(=O)c2cc(Cl)ccc2O)c(C)c1O ZINC001150129429 1132551498 /nfs/dbraw/zinc/55/14/98/1132551498.db2.gz UJPJQTUBSWOBLQ-UHFFFAOYSA-N 0 1 291.734 3.620 20 0 CHADMN O=c1cc(Nc2ccc(Cl)c(O)c2F)cc(Cl)[nH]1 ZINC001214796088 1132551965 /nfs/dbraw/zinc/55/19/65/1132551965.db2.gz GNDMJNZAOGYFLD-UHFFFAOYSA-N 0 1 289.093 3.682 20 0 CHADMN CCN(C)c1ccc(Nc2ccc(Cl)c(O)c2F)cn1 ZINC001214797931 1132552703 /nfs/dbraw/zinc/55/27/03/1132552703.db2.gz KLDBTGKCKWPRPN-UHFFFAOYSA-N 0 1 295.745 3.779 20 0 CHADMN CC[C@H]1CCCN(Cc2cc(O)cc(Br)c2)C1 ZINC001232999031 1132560333 /nfs/dbraw/zinc/56/03/33/1132560333.db2.gz NNJHQYKKJFVUOC-NSHDSACASA-N 0 1 298.224 3.777 20 0 CHADMN CCc1ccc(CN(C)Cc2cnc(C)cc2C)cc1 ZINC001233010503 1132562903 /nfs/dbraw/zinc/56/29/03/1132562903.db2.gz WNANUWQSYRMISI-UHFFFAOYSA-N 0 1 268.404 3.893 20 0 CHADMN CCOC(=O)c1ccsc1CN1CCC[C@@H](C)CC1 ZINC001233019282 1132564147 /nfs/dbraw/zinc/56/41/47/1132564147.db2.gz OZZJIMREAWBZPZ-GFCCVEGCSA-N 0 1 281.421 3.547 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cscc1Cl ZINC001151038556 1132564503 /nfs/dbraw/zinc/56/45/03/1132564503.db2.gz GCFRWWXRLUMOQR-UHFFFAOYSA-N 0 1 291.710 3.623 20 0 CHADMN Oc1cccc(CN2CC[C@H](c3ccccc3F)C2)c1F ZINC001233053538 1132566783 /nfs/dbraw/zinc/56/67/83/1132566783.db2.gz SDQOGODIZDWRIN-LBPRGKRZSA-N 0 1 289.325 3.660 20 0 CHADMN Cc1cccc2ncc(Nc3ccc(F)c(F)c3)n21 ZINC001173866859 1132569732 /nfs/dbraw/zinc/56/97/32/1132569732.db2.gz UHWKIEPHNSVRGS-UHFFFAOYSA-N 0 1 259.259 3.665 20 0 CHADMN CCCCC1CCN(Cc2ccc(N(C)C)nc2F)CC1 ZINC001233116093 1132571576 /nfs/dbraw/zinc/57/15/76/1132571576.db2.gz IGHGOCGOIDRGCU-UHFFFAOYSA-N 0 1 293.430 3.689 20 0 CHADMN Cc1ccc2nc(N)n(-c3c(C)cccc3C)c2c1 ZINC001173871949 1132575135 /nfs/dbraw/zinc/57/51/35/1132575135.db2.gz LOTXDXYDDMSTIB-UHFFFAOYSA-N 0 1 251.333 3.533 20 0 CHADMN CCCCN(CC)Cc1cc(Cl)cnc1OCC ZINC001233170206 1132577079 /nfs/dbraw/zinc/57/70/79/1132577079.db2.gz VYXPYSNCPWCOSQ-UHFFFAOYSA-N 0 1 270.804 3.756 20 0 CHADMN Cc1cccc2nc(C(=O)N3CCC(C(C)(C)C)CC3)[nH]c21 ZINC001151982822 1132577667 /nfs/dbraw/zinc/57/76/67/1132577667.db2.gz MMZJHASTRKVSDV-UHFFFAOYSA-N 0 1 299.418 3.770 20 0 CHADMN Cc1cccc2nc(C(=O)Nc3cccc4cc[nH]c43)[nH]c21 ZINC001151992018 1132577944 /nfs/dbraw/zinc/57/79/44/1132577944.db2.gz IGOCWJQJIRPUAG-UHFFFAOYSA-N 0 1 290.326 3.605 20 0 CHADMN Cc1cccc([C@H](C)NC(=O)c2ccc(Cl)c(O)c2)c1 ZINC001152123064 1132578310 /nfs/dbraw/zinc/57/83/10/1132578310.db2.gz VLCBMJORODJYPA-NSHDSACASA-N 0 1 289.762 3.845 20 0 CHADMN Cc1cccc2nc(NC(=O)c3cc4sccc4[nH]3)[nH]c21 ZINC001152258739 1132579983 /nfs/dbraw/zinc/57/99/83/1132579983.db2.gz BERDIEHSZQLBCP-UHFFFAOYSA-N 0 1 296.355 3.666 20 0 CHADMN COc1cc(Br)cc(CN2CCC[C@H](C)C2)c1 ZINC001233213741 1132581987 /nfs/dbraw/zinc/58/19/87/1132581987.db2.gz OTFNXAKJQDAWOO-NSHDSACASA-N 0 1 298.224 3.690 20 0 CHADMN [S-]c1ccc(C[N@@H+](C2CCC2)C2CCOCC2)cc1 ZINC001233263108 1132593236 /nfs/dbraw/zinc/59/32/36/1132593236.db2.gz HJHIIMWDDUXMQC-UHFFFAOYSA-N 0 1 277.433 3.509 20 0 CHADMN O=C(C=CC1CCCCCC1)Nc1nc(C2CCC2)n[nH]1 ZINC001153735759 1132599863 /nfs/dbraw/zinc/59/98/63/1132599863.db2.gz VYDNCSVRYSJDQS-KHPPLWFESA-N 0 1 288.395 3.537 20 0 CHADMN O=C(/C=C\C1CCCCCC1)Nc1n[nH]c(C2CCC2)n1 ZINC001153735759 1132599869 /nfs/dbraw/zinc/59/98/69/1132599869.db2.gz VYDNCSVRYSJDQS-KHPPLWFESA-N 0 1 288.395 3.537 20 0 CHADMN C[C@H]1CN(Cc2ccc(Cc3ccccc3)cc2)C[C@H](C)O1 ZINC001233329996 1132600871 /nfs/dbraw/zinc/60/08/71/1132600871.db2.gz QVXINKAYNFHLOA-IRXDYDNUSA-N 0 1 295.426 3.887 20 0 CHADMN COc1cc(F)c(CN2[C@H](C)CCC[C@@H]2C)cc1F ZINC001233340879 1132604856 /nfs/dbraw/zinc/60/48/56/1132604856.db2.gz UBPZXSMBQZWSSE-PHIMTYICSA-N 0 1 269.335 3.736 20 0 CHADMN COc1cc(F)c(CN2CCC[C@H](C)CC2)cc1F ZINC001233341354 1132606736 /nfs/dbraw/zinc/60/67/36/1132606736.db2.gz MJDPQVKVYXWKNM-NSHDSACASA-N 0 1 269.335 3.595 20 0 CHADMN CSc1cccc(Cl)c1CN1CCOC[C@@H](C)C1 ZINC001233350873 1132608406 /nfs/dbraw/zinc/60/84/06/1132608406.db2.gz XLMZRNHMOSUILO-NSHDSACASA-N 0 1 285.840 3.530 20 0 CHADMN Nc1ccc(CN2CC[C@@H]2c2ccccc2)c(Cl)c1 ZINC001233376606 1132612503 /nfs/dbraw/zinc/61/25/03/1132612503.db2.gz RGOOFAXYFVFOST-MRXNPFEDSA-N 0 1 272.779 3.869 20 0 CHADMN O=c1ccn(-c2ccc(Nc3cc(F)cc(F)c3)cc2)[nH]1 ZINC001173918126 1132612653 /nfs/dbraw/zinc/61/26/53/1132612653.db2.gz QKCDGXLHWHYPAZ-UHFFFAOYSA-N 0 1 287.269 3.600 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1cc(F)c(F)cc1N ZINC001233381857 1132613900 /nfs/dbraw/zinc/61/39/00/1132613900.db2.gz VPXINXHWMFBEIY-UHFFFAOYSA-N 0 1 294.320 3.708 20 0 CHADMN Nc1cc(F)c(F)cc1C[N@H+]1CCC2(C1)CCCCC2 ZINC001233382639 1132613944 /nfs/dbraw/zinc/61/39/44/1132613944.db2.gz CIUWCRCSSBOBQH-UHFFFAOYSA-N 0 1 280.362 3.703 20 0 CHADMN [O-]c1ccc(F)c(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1F ZINC001233395985 1132616447 /nfs/dbraw/zinc/61/64/47/1132616447.db2.gz CPPQMYDSEFDJDL-FZMZJTMJSA-N 0 1 281.346 3.825 20 0 CHADMN [O-]c1ccc(F)c(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1F ZINC001233395985 1132616451 /nfs/dbraw/zinc/61/64/51/1132616451.db2.gz CPPQMYDSEFDJDL-FZMZJTMJSA-N 0 1 281.346 3.825 20 0 CHADMN CC[C@H]1CCCN(Cc2cn3ccc(Cl)cc3n2)C1 ZINC001233392211 1132616493 /nfs/dbraw/zinc/61/64/93/1132616493.db2.gz OZCVIZNTZRVVFP-LBPRGKRZSA-N 0 1 277.799 3.610 20 0 CHADMN COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H](C)C2)c(Cl)c1[O-] ZINC001233397687 1132616802 /nfs/dbraw/zinc/61/68/02/1132616802.db2.gz IYVINXOZQREWFI-VXGBXAGGSA-N 0 1 297.826 3.922 20 0 CHADMN COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)c(Cl)c1[O-] ZINC001233397687 1132616804 /nfs/dbraw/zinc/61/68/04/1132616804.db2.gz IYVINXOZQREWFI-VXGBXAGGSA-N 0 1 297.826 3.922 20 0 CHADMN CC[C@@H]1CCCCN1Cc1ccc(OC)c(O)c1Cl ZINC001233401110 1132618699 /nfs/dbraw/zinc/61/86/99/1132618699.db2.gz MHSWHBQLZFYHAG-GFCCVEGCSA-N 0 1 283.799 3.819 20 0 CHADMN COc1ccc(CN2C3CCCC2CCC3)c(Cl)c1O ZINC001233401636 1132618838 /nfs/dbraw/zinc/61/88/38/1132618838.db2.gz IJRUNQLIIUNGNN-UHFFFAOYSA-N 0 1 295.810 3.961 20 0 CHADMN FC(F)(F)c1cccc(Cl)c1Nc1ccncc1 ZINC001173883456 1132623212 /nfs/dbraw/zinc/62/32/12/1132623212.db2.gz QDNQRIBHSIOYNH-UHFFFAOYSA-N 0 1 272.657 3.919 20 0 CHADMN O=C(c1ccc(F)cc1)c1ccccc1Nc1ccncc1 ZINC001173882495 1132623919 /nfs/dbraw/zinc/62/39/19/1132623919.db2.gz NDLNQLRLYAIGDX-UHFFFAOYSA-N 0 1 292.313 3.617 20 0 CHADMN Cc1cc(C)c(Nc2ccncc2)cc1Br ZINC001173884584 1132624752 /nfs/dbraw/zinc/62/47/52/1132624752.db2.gz LPFINOHGVSZYDZ-UHFFFAOYSA-N 0 1 277.165 3.626 20 0 CHADMN CC(C)(C)N(Cc1ccccc1)Cc1cncc(Cl)n1 ZINC001233446055 1132626459 /nfs/dbraw/zinc/62/64/59/1132626459.db2.gz GMFYCQDOOWHNOJ-UHFFFAOYSA-N 0 1 289.810 3.931 20 0 CHADMN Cc1cc(F)ccc1Nc1ccc(N2CCN(C)CC2)cc1 ZINC001173967932 1132637345 /nfs/dbraw/zinc/63/73/45/1132637345.db2.gz JIGZERDEYUQLIL-UHFFFAOYSA-N 0 1 299.393 3.630 20 0 CHADMN CCCCC[C@H](CC)Oc1n[nH]c(=O)cc1Cl ZINC001233587287 1132642077 /nfs/dbraw/zinc/64/20/77/1132642077.db2.gz PFCNDFKTGRAULP-VIFPVBQESA-N 0 1 258.749 3.573 20 0 CHADMN C[C@H](Oc1n[nH]c(=O)cc1Cl)c1ccc(Cl)cc1 ZINC001233587421 1132642113 /nfs/dbraw/zinc/64/21/13/1132642113.db2.gz RBVHKQJNFFIHPP-ZETCQYMHSA-N 0 1 285.130 3.629 20 0 CHADMN Clc1cccc2nc(CN3CCC[C@H]4CCC[C@@H]43)cn21 ZINC001233600320 1132646570 /nfs/dbraw/zinc/64/65/70/1132646570.db2.gz VOKFLWCKCYJIOU-OCCSQVGLSA-N 0 1 289.810 3.752 20 0 CHADMN COc1ccc2nc(NC(=N)C(C)(C)C)cc(C)c2c1 ZINC001155181348 1132646623 /nfs/dbraw/zinc/64/66/23/1132646623.db2.gz OYEATLMYKUKXKF-UHFFFAOYSA-N 0 1 271.364 3.987 20 0 CHADMN Cc1cnc(NC(=N)C23CC4CC(CC(C4)C2)C3)c(N)c1 ZINC001155962364 1132673270 /nfs/dbraw/zinc/67/32/70/1132673270.db2.gz KEVDNKSPWPKKBU-UHFFFAOYSA-N 0 1 284.407 3.578 20 0 CHADMN Cc1ccc(Nc2ccnn2-c2ccncc2)c(C)c1 ZINC001174012896 1132679942 /nfs/dbraw/zinc/67/99/42/1132679942.db2.gz LZUJLPIXPNTYNU-UHFFFAOYSA-N 0 1 264.332 3.628 20 0 CHADMN Cc1cc(N2CCCC2)nc(NC/C=C/c2ccccc2)n1 ZINC001156463317 1132697621 /nfs/dbraw/zinc/69/76/21/1132697621.db2.gz XBRHZCKBMDWGAB-JXMROGBWSA-N 0 1 294.402 3.511 20 0 CHADMN Clc1cc(NCC=Cc2ccccc2)c2nc[nH]c2n1 ZINC001156463578 1132697858 /nfs/dbraw/zinc/69/78/58/1132697858.db2.gz JDBFPZLQDFAUQX-QPJJXVBHSA-N 0 1 284.750 3.737 20 0 CHADMN CC(C)Oc1ccnc(NC/C=C/c2ccccc2)c1 ZINC001156467411 1132699284 /nfs/dbraw/zinc/69/92/84/1132699284.db2.gz ALQUJFRKHBETBA-RMKNXTFCSA-N 0 1 268.360 3.994 20 0 CHADMN Cn1ccc2cc(Nc3ccc4nccn4c3)ccc21 ZINC001174096568 1132713298 /nfs/dbraw/zinc/71/32/98/1132713298.db2.gz HKDZFEJAYAZZDN-UHFFFAOYSA-N 0 1 262.316 3.570 20 0 CHADMN Cc1cc(Cl)c(C)c(N(C(=N)N)c2ccc(F)cc2)n1 ZINC001157230283 1132725389 /nfs/dbraw/zinc/72/53/89/1132725389.db2.gz YSEXFSVIFSWGNK-UHFFFAOYSA-N 0 1 292.745 3.523 20 0 CHADMN C[C@@H](c1ccccc1Cl)N(C)c1cccc(N(C)C)n1 ZINC001157367710 1132728902 /nfs/dbraw/zinc/72/89/02/1132728902.db2.gz JYPXPPKJIQVROD-LBPRGKRZSA-N 0 1 289.810 3.998 20 0 CHADMN CC1(C(=O)Nc2ccc3cncn3c2)CCCCCC1 ZINC001157396039 1132731794 /nfs/dbraw/zinc/73/17/94/1132731794.db2.gz GTWNSFMXMZPJRF-UHFFFAOYSA-N 0 1 271.364 3.633 20 0 CHADMN Cc1cnc(N2CCC(c3cccc(O)c3)CC2)cc1C ZINC001157572268 1132735677 /nfs/dbraw/zinc/73/56/77/1132735677.db2.gz ZQSCUOOVHUKSLT-UHFFFAOYSA-N 0 1 282.387 3.788 20 0 CHADMN Clc1cc2nc[nH]c2nc1NCCC1=CCCCC1 ZINC001157948379 1132755709 /nfs/dbraw/zinc/75/57/09/1132755709.db2.gz MXTJSOYMQCOURI-UHFFFAOYSA-N 0 1 276.771 3.914 20 0 CHADMN S=c1nc2[nH]cnc(NCCC3=CCCCC3)c-2s1 ZINC001157948361 1132756219 /nfs/dbraw/zinc/75/62/19/1132756219.db2.gz MQYISRVEHSGKDR-UHFFFAOYSA-N 0 1 292.433 3.677 20 0 CHADMN Oc1ccc2ccccc2c1Nc1ccc2nccn2c1 ZINC001174279122 1132768737 /nfs/dbraw/zinc/76/87/37/1132768737.db2.gz OFZGRFLRZKACAT-UHFFFAOYSA-N 0 1 275.311 3.937 20 0 CHADMN COc1cc2cccnc2c(Nc2ccc3nccn3c2)c1 ZINC001174279093 1132769023 /nfs/dbraw/zinc/76/90/23/1132769023.db2.gz NCGNTWCGLKLMCC-UHFFFAOYSA-N 0 1 290.326 3.635 20 0 CHADMN COc1cc(F)c(Cl)cc1Nc1ccc2nccn2c1 ZINC001174280454 1132769794 /nfs/dbraw/zinc/76/97/94/1132769794.db2.gz XDFHUAAVPORERA-UHFFFAOYSA-N 0 1 291.713 3.879 20 0 CHADMN Fc1cnc2cccc(Nc3ccc4nccn4c3)c2c1 ZINC001174280180 1132770456 /nfs/dbraw/zinc/77/04/56/1132770456.db2.gz TXNQXIBIXZWWRY-UHFFFAOYSA-N 0 1 278.290 3.765 20 0 CHADMN CCCCCc1cc(C(=O)N2CCC[C@H]2CCC)n[nH]1 ZINC001158338326 1132771472 /nfs/dbraw/zinc/77/14/72/1132771472.db2.gz FURASERQKRLNNB-CQSZACIVSA-N 0 1 277.412 3.547 20 0 CHADMN C[C@H](CNc1ccc2c(n1)CCCC2)c1ccc(O)cc1 ZINC001158606101 1132783630 /nfs/dbraw/zinc/78/36/30/1132783630.db2.gz OAMBJOKVJBGDMT-CYBMUJFWSA-N 0 1 282.387 3.882 20 0 CHADMN Brc1cccc(Nc2ccc3nccn3c2)c1 ZINC001174276629 1132783860 /nfs/dbraw/zinc/78/38/60/1132783860.db2.gz KXVLQPGHLIODIR-UHFFFAOYSA-N 0 1 288.148 3.840 20 0 CHADMN COc1cc(Nc2ccc3nccn3c2)ccc1SC ZINC001174276541 1132784866 /nfs/dbraw/zinc/78/48/66/1132784866.db2.gz GDYBXOSKIQVGQP-UHFFFAOYSA-N 0 1 285.372 3.808 20 0 CHADMN c1cn2cc(Nc3ccc4cnccc4c3)ccc2n1 ZINC001174276749 1132785371 /nfs/dbraw/zinc/78/53/71/1132785371.db2.gz MXLKKQFWOPILJA-UHFFFAOYSA-N 0 1 260.300 3.626 20 0 CHADMN c1cn2cc(Nc3ccc(OCC4CCC4)nc3)ccc2n1 ZINC001174277029 1132786180 /nfs/dbraw/zinc/78/61/80/1132786180.db2.gz DSTPJBABOMDBIM-UHFFFAOYSA-N 0 1 294.358 3.652 20 0 CHADMN FC(F)(F)c1cc(Cl)nc(Cl)c1NC1=CCOC1 ZINC001203380813 1132787605 /nfs/dbraw/zinc/78/76/05/1132787605.db2.gz UHRLHKVVOQKHMM-UHFFFAOYSA-N 0 1 299.079 3.733 20 0 CHADMN c1n[nH]c2cccc(Nc3cnc4ccccc4c3)c12 ZINC001174342867 1132800394 /nfs/dbraw/zinc/80/03/94/1132800394.db2.gz VDSZTVVHUYBBFH-UHFFFAOYSA-N 0 1 260.300 3.855 20 0 CHADMN COCCCOc1ccc(Nc2cccc3[nH]ncc32)cc1 ZINC001174343629 1132801120 /nfs/dbraw/zinc/80/11/20/1132801120.db2.gz CYCBSMFAENAALS-UHFFFAOYSA-N 0 1 297.358 3.722 20 0 CHADMN c1n[nH]c2cccc(Nc3csc4cnccc34)c12 ZINC001174343184 1132801296 /nfs/dbraw/zinc/80/12/96/1132801296.db2.gz KRPRKSATVWXAOX-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN c1n[nH]c2cccc(Nc3ccc(C4CCC4)nc3)c12 ZINC001174343272 1132801584 /nfs/dbraw/zinc/80/15/84/1132801584.db2.gz NCSXLFAAZFODHL-UHFFFAOYSA-N 0 1 264.332 3.969 20 0 CHADMN O=C1CCCc2ccc(Nc3cccc4[nH]ncc43)cc21 ZINC001174344421 1132801913 /nfs/dbraw/zinc/80/19/13/1132801913.db2.gz ZOKDJYHTZURLFO-UHFFFAOYSA-N 0 1 277.327 3.826 20 0 CHADMN c1nc2ccc(Nc3cccc4[nH]ncc43)cc2s1 ZINC001174344481 1132802181 /nfs/dbraw/zinc/80/21/81/1132802181.db2.gz COCXHTBZLYQNDC-UHFFFAOYSA-N 0 1 266.329 3.916 20 0 CHADMN Cc1ccccc1-n1nccc1Nc1cccc2[nH]ncc21 ZINC001174343353 1132802771 /nfs/dbraw/zinc/80/27/71/1132802771.db2.gz QJRFYGCCIURWDC-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN c1nc(C2CC2)sc1Nc1cccc2[nH]ncc21 ZINC001174343798 1132802836 /nfs/dbraw/zinc/80/28/36/1132802836.db2.gz YUFGKVIESKYFTC-UHFFFAOYSA-N 0 1 256.334 3.640 20 0 CHADMN FC(F)(F)Oc1cncc(Nc2cccc3[nH]ncc32)c1 ZINC001174345054 1132803318 /nfs/dbraw/zinc/80/33/18/1132803318.db2.gz VSXBAPNWAAQZTQ-UHFFFAOYSA-N 0 1 294.236 3.600 20 0 CHADMN c1n[nH]c2cccc(Nc3cccc4c3OCCC4)c12 ZINC001174345709 1132803354 /nfs/dbraw/zinc/80/33/54/1132803354.db2.gz OIJIIXWHNQTHDI-UHFFFAOYSA-N 0 1 265.316 3.632 20 0 CHADMN CC(=O)c1ccc(Nc2cccc3[nH]ncc32)c(F)c1 ZINC001174345788 1132804074 /nfs/dbraw/zinc/80/40/74/1132804074.db2.gz SKRFJRUAPPQKKM-UHFFFAOYSA-N 0 1 269.279 3.648 20 0 CHADMN Cc1cc(Nc2c[nH]c3ncc(F)cc23)c2ccccc2n1 ZINC001159104412 1132806378 /nfs/dbraw/zinc/80/63/78/1132806378.db2.gz BLYSHBKWORFPQZ-UHFFFAOYSA-N 0 1 292.317 3.724 20 0 CHADMN Clc1ccc(NC2=CCCN(Cc3ccccc3)C2)nc1 ZINC001174392738 1132808094 /nfs/dbraw/zinc/80/80/94/1132808094.db2.gz JLROBSVYIYGQKL-UHFFFAOYSA-N 0 1 299.805 3.937 20 0 CHADMN c1cc(NC2=CCCN(Cc3ccccc3)C2)cs1 ZINC001174393069 1132810459 /nfs/dbraw/zinc/81/04/59/1132810459.db2.gz PUKXRECTCKMFCM-UHFFFAOYSA-N 0 1 270.401 3.950 20 0 CHADMN CCOc1cccc(Nc2cc([C@H]3CCCCN3)no2)c1 ZINC001159308137 1132828017 /nfs/dbraw/zinc/82/80/17/1132828017.db2.gz HGULVDGRUNGKAM-CQSZACIVSA-N 0 1 287.363 3.632 20 0 CHADMN COc1ccc(C)cc1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159308749 1132828118 /nfs/dbraw/zinc/82/81/18/1132828118.db2.gz MVWMYEFKJMEQSK-LBPRGKRZSA-N 0 1 287.363 3.550 20 0 CHADMN c1c([C@@H]2CCCCN2)noc1Nc1cnc2ccccc2c1 ZINC001159308758 1132828251 /nfs/dbraw/zinc/82/82/51/1132828251.db2.gz NDISEXWCTXAIMN-HNNXBMFYSA-N 0 1 294.358 3.781 20 0 CHADMN Clc1ccccc1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159313180 1132829192 /nfs/dbraw/zinc/82/91/92/1132829192.db2.gz JDOIZEFYNRNBFL-LBPRGKRZSA-N 0 1 277.755 3.886 20 0 CHADMN Cc1ncc(C2CC2)cc1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159313429 1132829365 /nfs/dbraw/zinc/82/93/65/1132829365.db2.gz NQVKBMPDYRYKRL-AWEZNQCLSA-N 0 1 298.390 3.814 20 0 CHADMN FC1(F)CCC(=Nc2cc([C@@H]3CCCCN3)no2)CC1 ZINC001159313288 1132829486 /nfs/dbraw/zinc/82/94/86/1132829486.db2.gz LEFVUJHRDBNEKA-NSHDSACASA-N 0 1 283.322 3.604 20 0 CHADMN Cn1ccc2c1cccc2Nc1cc([C@@H]2CCCCN2)no1 ZINC001159312940 1132829563 /nfs/dbraw/zinc/82/95/63/1132829563.db2.gz HJWYUUVKHBHNKR-AWEZNQCLSA-N 0 1 296.374 3.725 20 0 CHADMN Clc1ccc(Nc2cc([C@H]3CCCCN3)no2)cc1 ZINC001159312457 1132830315 /nfs/dbraw/zinc/83/03/15/1132830315.db2.gz BRVABXNSOKMDFP-GFCCVEGCSA-N 0 1 277.755 3.886 20 0 CHADMN Oc1ccc(Cl)cc1Nc1cc([C@@H]2CCCCN2)no1 ZINC001159311088 1132830347 /nfs/dbraw/zinc/83/03/47/1132830347.db2.gz GHPQXBBZWDAAAB-JTQLQIEISA-N 0 1 293.754 3.592 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1cccc2c1NCC2 ZINC001159456225 1132848922 /nfs/dbraw/zinc/84/89/22/1132848922.db2.gz ZLQXSOPAMZJXFM-UHFFFAOYSA-N 0 1 264.332 3.583 20 0 CHADMN CC(=O)c1cccc(Nc2ccc3c[nH]nc3c2)c1C ZINC001174500145 1132860072 /nfs/dbraw/zinc/86/00/72/1132860072.db2.gz BICSDEVSWOQRCY-UHFFFAOYSA-N 0 1 265.316 3.818 20 0 CHADMN Cc1ccc(C)c(Nc2cccc(/C=C/C(=O)[O-])c2)[nH+]1 ZINC001174495112 1132860540 /nfs/dbraw/zinc/86/05/40/1132860540.db2.gz LQFQWTZIDMUMEI-CMDGGOBGSA-N 0 1 268.316 3.540 20 0 CHADMN Nc1cc(Cl)cc(F)c1Nc1ccc2c[nH]nc2c1 ZINC001174500169 1132861253 /nfs/dbraw/zinc/86/12/53/1132861253.db2.gz CKEZKJZRNZHWSU-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN Cc1ccc(Nc2ccc3c[nH]nc3c2)c(Cl)n1 ZINC001174498190 1132864013 /nfs/dbraw/zinc/86/40/13/1132864013.db2.gz HPTYUORHWMIHNN-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN O=c1cccc2[nH]cc(Nc3ccc4c[nH]nc4c3)cc1-2 ZINC001174498635 1132864597 /nfs/dbraw/zinc/86/45/97/1132864597.db2.gz IBLYKRGMRINLFF-UHFFFAOYSA-N 0 1 276.299 3.560 20 0 CHADMN c1[nH]nc2cc(Nc3ccc(C4CCC4)nc3)ccc12 ZINC001174498272 1132864719 /nfs/dbraw/zinc/86/47/19/1132864719.db2.gz AMDSOOFEPVKHSS-UHFFFAOYSA-N 0 1 264.332 3.969 20 0 CHADMN COc1cc(C)c(Nc2cccc3[nH]ncc32)c(C)c1 ZINC001159574664 1132864881 /nfs/dbraw/zinc/86/48/81/1132864881.db2.gz KIWMNQVIPDRXTJ-UHFFFAOYSA-N 0 1 267.332 3.932 20 0 CHADMN Fc1cc2[nH]ccc2c(Nc2cccc3[nH]ncc32)c1 ZINC001159575292 1132865215 /nfs/dbraw/zinc/86/52/15/1132865215.db2.gz VMMSWAAXDYWRRN-UHFFFAOYSA-N 0 1 266.279 3.927 20 0 CHADMN Oc1cc(Cl)cc(Nc2cccc3[nH]ncc32)c1 ZINC001159574006 1132865776 /nfs/dbraw/zinc/86/57/76/1132865776.db2.gz GJPANCITQUJAKB-UHFFFAOYSA-N 0 1 259.696 3.666 20 0 CHADMN CCc1ccc(C)nc1Nc1ccc2cn[nH]c2c1 ZINC001174499474 1132866464 /nfs/dbraw/zinc/86/64/64/1132866464.db2.gz RFCGAGDLKWEQAY-UHFFFAOYSA-N 0 1 252.321 3.572 20 0 CHADMN Nc1cc(F)c(Cl)cc1Nc1ccc2c[nH]nc2c1 ZINC001174499954 1132878916 /nfs/dbraw/zinc/87/89/16/1132878916.db2.gz GPYLBBJHXWUYOA-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN CC(C)OC(=O)c1cccc(Nc2ccc3c[nH]nc3c2)c1 ZINC001159662077 1132884595 /nfs/dbraw/zinc/88/45/95/1132884595.db2.gz QQGJHKBZQVAXKM-UHFFFAOYSA-N 0 1 295.342 3.872 20 0 CHADMN CC(C)Oc1cc(Nc2ccc3c[nH]nc3c2)c(F)cn1 ZINC001159661610 1132885221 /nfs/dbraw/zinc/88/52/21/1132885221.db2.gz BXUDDJRVYLMOEB-UHFFFAOYSA-N 0 1 286.310 3.628 20 0 CHADMN CC(=O)c1ccc(Nc2ccc3c[nH]nc3c2)cc1 ZINC001174500542 1132901714 /nfs/dbraw/zinc/90/17/14/1132901714.db2.gz RFJIVBWAZFLIQG-UHFFFAOYSA-N 0 1 251.289 3.509 20 0 CHADMN COCCCOc1ccc(Nc2ccc3c[nH]nc3c2)cc1 ZINC001174500511 1132901813 /nfs/dbraw/zinc/90/18/13/1132901813.db2.gz QOBLOCBJJNQDOY-UHFFFAOYSA-N 0 1 297.358 3.722 20 0 CHADMN Cc1c2ccc(Nc3ccc4c[nH]nc4c3)cc2nn1C ZINC001174501801 1132902171 /nfs/dbraw/zinc/90/21/71/1132902171.db2.gz HGDWXZZHRXYGMP-UHFFFAOYSA-N 0 1 277.331 3.502 20 0 CHADMN CCC(=O)c1ccccc1Nc1ccc2c[nH]nc2c1 ZINC001174500665 1132902505 /nfs/dbraw/zinc/90/25/05/1132902505.db2.gz MXVXXCZTQKRNMJ-UHFFFAOYSA-N 0 1 265.316 3.899 20 0 CHADMN Nc1ccc(C(F)(F)F)cc1Nc1ccc2c[nH]nc2c1 ZINC001174500765 1132902864 /nfs/dbraw/zinc/90/28/64/1132902864.db2.gz XMNRZOPBQZIZFU-UHFFFAOYSA-N 0 1 292.264 3.908 20 0 CHADMN COc1cc(Nc2cnc3cccc(C)n23)cc(F)c1F ZINC001174586072 1132917704 /nfs/dbraw/zinc/91/77/04/1132917704.db2.gz KSRYIOYMLVHTHH-UHFFFAOYSA-N 0 1 289.285 3.673 20 0 CHADMN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc2c(Cl)[nH]ccc-2n1 ZINC001174556323 1132922503 /nfs/dbraw/zinc/92/25/03/1132922503.db2.gz RWIGYSRSSUGEED-AOOOYVTPSA-N 0 1 291.782 3.619 20 0 CHADMN c1ccc2sc(=NC3=CCC4(CC3)OCCO4)[nH]c2c1 ZINC001174635709 1132935420 /nfs/dbraw/zinc/93/54/20/1132935420.db2.gz OZZBGRCYHVVFAE-UHFFFAOYSA-N 0 1 288.372 3.519 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(OC(F)(F)F)c(F)c1 ZINC001213020270 1132936526 /nfs/dbraw/zinc/93/65/26/1132936526.db2.gz UGDADICGHUGBCG-UHFFFAOYSA-N 0 1 289.232 3.510 20 0 CHADMN Cc1ccc2[nH]ncc2c1Nc1ccc(N)c(Cl)c1 ZINC001160205466 1132946296 /nfs/dbraw/zinc/94/62/96/1132946296.db2.gz CJRJWLSJORZCHW-UHFFFAOYSA-N 0 1 272.739 3.851 20 0 CHADMN c1nc2ccc(Nc3ccccc3OC3CC3)cc2[nH]1 ZINC001160224794 1132949548 /nfs/dbraw/zinc/94/95/48/1132949548.db2.gz ZRYAXTMDGGSTLY-UHFFFAOYSA-N 0 1 265.316 3.848 20 0 CHADMN COc1ccc2c(ccnc2NC(C)(C)c2ccncc2)c1 ZINC001160307115 1132959252 /nfs/dbraw/zinc/95/92/52/1132959252.db2.gz MLUHZCMVYLPAIR-UHFFFAOYSA-N 0 1 293.370 3.986 20 0 CHADMN Cc1[nH]nc2cc(Nc3ccc(C)cc3N)ccc12 ZINC001160337892 1132963927 /nfs/dbraw/zinc/96/39/27/1132963927.db2.gz AXHALHYLBMTCLT-UHFFFAOYSA-N 0 1 252.321 3.506 20 0 CHADMN Fc1ccc(CN2CC[C@@H](Oc3ccccc3)C2)cc1F ZINC001174736897 1132968930 /nfs/dbraw/zinc/96/89/30/1132968930.db2.gz YAANTOCLSHLRED-OAHLLOKOSA-N 0 1 289.325 3.618 20 0 CHADMN COC(=O)C[C@H](Nc1cc(C)c(C)cn1)C1CCCCC1 ZINC001160562488 1132974925 /nfs/dbraw/zinc/97/49/25/1132974925.db2.gz RKXFWOGIRAJOER-HNNXBMFYSA-N 0 1 290.407 3.622 20 0 CHADMN Cc1cc(Nc2cccc3[nH]cnc32)c2ccccc2n1 ZINC001213026385 1132982040 /nfs/dbraw/zinc/98/20/40/1132982040.db2.gz WTJVXNVXAZLBIH-UHFFFAOYSA-N 0 1 274.327 3.585 20 0 CHADMN Cc1cnc(NCc2ccccc2C)c2[nH]ccc21 ZINC001161617288 1133010019 /nfs/dbraw/zinc/01/00/19/1133010019.db2.gz RQEIJRIHBJDFQU-UHFFFAOYSA-N 0 1 251.333 3.792 20 0 CHADMN C[C@H](CCc1ccccc1)Nc1cccn2cncc12 ZINC001161616138 1133010159 /nfs/dbraw/zinc/01/01/59/1133010159.db2.gz NNSZSWKJTWMXRN-CQSZACIVSA-N 0 1 265.360 3.768 20 0 CHADMN Cc1nc2cc(-n3c(N)nc4ccc(C)cc43)ccc2s1 ZINC001213035617 1133027315 /nfs/dbraw/zinc/02/73/15/1133027315.db2.gz XALSYXXBZJQSEB-UHFFFAOYSA-N 0 1 294.383 3.834 20 0 CHADMN Cc1ccc(N[C@H](c2ccnc(F)c2)C2CC2)nc1C ZINC001161840206 1133034266 /nfs/dbraw/zinc/03/42/66/1133034266.db2.gz IFLQTJOYSDWFPC-INIZCTEOSA-N 0 1 271.339 3.796 20 0 CHADMN Cc1cc(N2CCCC2)nc(NC(C)(C)CC2CCC2)n1 ZINC001161846630 1133035339 /nfs/dbraw/zinc/03/53/39/1133035339.db2.gz CBEZOTACWUEBFN-UHFFFAOYSA-N 0 1 288.439 3.766 20 0 CHADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)[C@@H]1CCC[C@@H](C)C1 ZINC001161934267 1133040055 /nfs/dbraw/zinc/04/00/55/1133040055.db2.gz VXQOTHWBQWZTCE-FRRDWIJNSA-N 0 1 285.391 3.508 20 0 CHADMN c1ccc2oc(CNc3cc(OCC4CC4)ccn3)nc2c1 ZINC001161967600 1133044519 /nfs/dbraw/zinc/04/45/19/1133044519.db2.gz HDZYMUJSRALCJH-UHFFFAOYSA-N 0 1 295.342 3.624 20 0 CHADMN CC(C)(C)N1CC(Nc2nccc3ccc(Cl)cc32)C1 ZINC001162221691 1133060773 /nfs/dbraw/zinc/06/07/73/1133060773.db2.gz ROYQDGDWQRATMR-UHFFFAOYSA-N 0 1 289.810 3.783 20 0 CHADMN CN(C(=O)[C@@H]1CCN1C(C)(C)C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001162248272 1133063973 /nfs/dbraw/zinc/06/39/73/1133063973.db2.gz GRYALTJSZZXLBC-KKUMJFAQSA-N 0 1 294.483 3.532 20 0 CHADMN CN(C(=O)[C@@H]1CCN1C(C)(C)C)[C@H]1CCC[C@H]1C(C)(C)C ZINC001162248270 1133064235 /nfs/dbraw/zinc/06/42/35/1133064235.db2.gz GRYALTJSZZXLBC-ILXRZTDVSA-N 0 1 294.483 3.532 20 0 CHADMN CC(C)(Nc1nc2ccc(Br)cc2[nH]1)C1CC1 ZINC001162518520 1133085536 /nfs/dbraw/zinc/08/55/36/1133085536.db2.gz VMCRFOMSWDZRGJ-UHFFFAOYSA-N 0 1 294.196 3.926 20 0 CHADMN Cc1cc2ccccc2c(NC[C@H]2COc3cnccc32)n1 ZINC001162573066 1133093291 /nfs/dbraw/zinc/09/32/91/1133093291.db2.gz CZCBEYMJNWZVID-AWEZNQCLSA-N 0 1 291.354 3.526 20 0 CHADMN Cc1ccc(N[C@@H](C)c2cccc(N(C)C)c2)nc1C ZINC001162630215 1133095760 /nfs/dbraw/zinc/09/57/60/1133095760.db2.gz ANKWCAQYPKXMMA-AWEZNQCLSA-N 0 1 269.392 3.938 20 0 CHADMN CCOc1ccnc(NCc2ccnc(C(F)(F)F)c2)c1 ZINC001162735437 1133106676 /nfs/dbraw/zinc/10/66/76/1133106676.db2.gz SKLYXDIEBXYVEP-UHFFFAOYSA-N 0 1 297.280 3.506 20 0 CHADMN C[C@H]1CCN(c2ccncc2C(F)(F)F)CC1(C)C ZINC001163019725 1133126463 /nfs/dbraw/zinc/12/64/63/1133126463.db2.gz SWGRJXDDMURXRZ-JTQLQIEISA-N 0 1 272.314 3.973 20 0 CHADMN Cc1cnc(NCCOc2cccc3ccoc32)c(C)c1 ZINC001163076066 1133129932 /nfs/dbraw/zinc/12/99/32/1133129932.db2.gz SWFQGZJJIGKBCH-UHFFFAOYSA-N 0 1 282.343 3.936 20 0 CHADMN CC(=O)Nc1ccc([C@H](C)Nc2ncc(C)cc2C)cc1 ZINC001163150107 1133131243 /nfs/dbraw/zinc/13/12/43/1133131243.db2.gz WYHMKAGSUVZSAL-ZDUSSCGKSA-N 0 1 283.375 3.830 20 0 CHADMN Cc1cc2ccccc2c(NCc2ccc3nccn3c2)n1 ZINC001163139363 1133131395 /nfs/dbraw/zinc/13/13/95/1133131395.db2.gz MLSGNEZKGBVHRI-UHFFFAOYSA-N 0 1 288.354 3.803 20 0 CHADMN Cc1cnc(N[C@H]2CCCc3ccncc32)cc1C ZINC001163174008 1133134344 /nfs/dbraw/zinc/13/43/44/1133134344.db2.gz VBOXZINTFITFHT-HNNXBMFYSA-N 0 1 253.349 3.583 20 0 CHADMN CCOc1cccc(CCNc2ccc3[nH]cnc3c2C)c1 ZINC001163708810 1133166666 /nfs/dbraw/zinc/16/66/66/1133166666.db2.gz AMDMKXOWPDLFFO-UHFFFAOYSA-N 0 1 295.386 3.925 20 0 CHADMN N=C(Nc1c[nH]cc2ncnc1-2)C12CC3CC(CC(C3)C1)C2 ZINC001163848456 1133179541 /nfs/dbraw/zinc/17/95/41/1133179541.db2.gz TVAKFPXNXYUWKL-UHFFFAOYSA-N 0 1 295.390 3.563 20 0 CHADMN Cc1cc(C)nc(N2CCc3ccccc3[C@H]2C)c1 ZINC001163954159 1133186910 /nfs/dbraw/zinc/18/69/10/1133186910.db2.gz NRWWDQFHTQWLMH-CQSZACIVSA-N 0 1 252.361 3.822 20 0 CHADMN C[C@@H]1c2ccccc2CCN1c1nc2[nH]cnc2cc1Cl ZINC001163955802 1133187486 /nfs/dbraw/zinc/18/74/86/1133187486.db2.gz FAAPFQGRKPOBHC-SNVBAGLBSA-N 0 1 298.777 3.735 20 0 CHADMN C[C@H]1c2ccccc2CCN1c1nc2[nH]cnc2cc1Cl ZINC001163955801 1133187501 /nfs/dbraw/zinc/18/75/01/1133187501.db2.gz FAAPFQGRKPOBHC-JTQLQIEISA-N 0 1 298.777 3.735 20 0 CHADMN C[C@H]1CCCN(Cc2ccc(Br)cc2N)[C@H]1C ZINC000252184353 1133190368 /nfs/dbraw/zinc/19/03/68/1133190368.db2.gz QOIKYOVYDXPBHD-QWRGUYRKSA-N 0 1 297.240 3.652 20 0 CHADMN Cc1ccccc1OCCCNc1ccc2nc[nH]c2c1 ZINC001163975060 1133190495 /nfs/dbraw/zinc/19/04/95/1133190495.db2.gz CLZXWZOLLYDXND-UHFFFAOYSA-N 0 1 281.359 3.752 20 0 CHADMN Clc1ccc2nc(SC[C@H]3C[C@]34CCOC4)[nH]c2c1 ZINC001164448534 1133218836 /nfs/dbraw/zinc/21/88/36/1133218836.db2.gz VRVNBONFXIEMMB-OTYXRUKQSA-N 0 1 294.807 3.735 20 0 CHADMN CC(C)N(Cc1c[nH]nn1)Cc1ccc(Cl)cc1Cl ZINC001203208646 1133305230 /nfs/dbraw/zinc/30/52/30/1133305230.db2.gz ZYDXZRQCANFAQH-UHFFFAOYSA-N 0 1 299.205 3.522 20 0 CHADMN O=C1CCC2(CC1)CCN(Cc1ccccc1F)CC2 ZINC001203357648 1133316954 /nfs/dbraw/zinc/31/69/54/1133316954.db2.gz SKGATUFYUYIAPM-UHFFFAOYSA-N 0 1 275.367 3.551 20 0 CHADMN Fc1cccc(Cl)c1CN1CCC[C@H](F)CC1 ZINC001203399411 1133323097 /nfs/dbraw/zinc/32/30/97/1133323097.db2.gz XWKYHRLWJBOIRQ-JTQLQIEISA-N 0 1 259.727 3.803 20 0 CHADMN COc1ccc(CNc2nc3cc(C)ccc3[nH]2)cc1C ZINC001203478680 1133332245 /nfs/dbraw/zinc/33/22/45/1133332245.db2.gz GVIMBPNUAPYSAF-UHFFFAOYSA-N 0 1 281.359 3.800 20 0 CHADMN c1[nH]nc2cc(N[C@H]3CCCc4ccccc4C3)ccc12 ZINC001203479654 1133332726 /nfs/dbraw/zinc/33/27/26/1133332726.db2.gz VLVXRYIAGXIFKZ-INIZCTEOSA-N 0 1 277.371 3.922 20 0 CHADMN COc1ccc(F)c(CNc2nc3cc(C)ccc3[nH]2)c1 ZINC001203478832 1133332760 /nfs/dbraw/zinc/33/27/60/1133332760.db2.gz KOPRVUFELHFROC-UHFFFAOYSA-N 0 1 285.322 3.631 20 0 CHADMN Cc1ccc2[nH]c(NCc3nc4ccccc4o3)nc2c1 ZINC001203478790 1133333206 /nfs/dbraw/zinc/33/32/06/1133333206.db2.gz ISHZCGYDEKZSTC-UHFFFAOYSA-N 0 1 278.315 3.625 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cnc(F)cc1OC ZINC001203525101 1133335103 /nfs/dbraw/zinc/33/51/03/1133335103.db2.gz QUZOCVOVJGEAIX-UHFFFAOYSA-N 0 1 299.305 3.530 20 0 CHADMN COc1ccc2c(c1)nccc2Nc1cccnc1C(C)=O ZINC001203525259 1133335241 /nfs/dbraw/zinc/33/52/41/1133335241.db2.gz ZFNGHSDSIBEYFB-UHFFFAOYSA-N 0 1 293.326 3.585 20 0 CHADMN Clc1ccc2nc(NCc3ccc4c(c3)CCO4)[nH]c2c1 ZINC001203572961 1133342155 /nfs/dbraw/zinc/34/21/55/1133342155.db2.gz SKMLIJMKZHKVLL-UHFFFAOYSA-N 0 1 299.761 3.763 20 0 CHADMN CCCO[C@H]1CCN(Cc2ccccc2C(F)(F)F)C1 ZINC001203692885 1133353694 /nfs/dbraw/zinc/35/36/94/1133353694.db2.gz FJURGXIADDKUAO-ZDUSSCGKSA-N 0 1 287.325 3.706 20 0 CHADMN COc1cc(C)c(CN2CCc3sccc3C2)cc1C ZINC001203755478 1133367242 /nfs/dbraw/zinc/36/72/42/1133367242.db2.gz MIOXICFEHXZKAY-UHFFFAOYSA-N 0 1 287.428 3.932 20 0 CHADMN Clc1cccc(CN2CC(c3ccccc3)C2)c1 ZINC001203801126 1133371215 /nfs/dbraw/zinc/37/12/15/1133371215.db2.gz JIQDYEVONDJKCM-UHFFFAOYSA-N 0 1 257.764 3.939 20 0 CHADMN Clc1ccc(CN2CCC3(COC3)CC2)cc1Cl ZINC001203803519 1133371291 /nfs/dbraw/zinc/37/12/91/1133371291.db2.gz CHITYEXSITXVQO-UHFFFAOYSA-N 0 1 286.202 3.606 20 0 CHADMN COc1cccc(CN2CCSc3ccccc3C2)c1 ZINC001203823643 1133374580 /nfs/dbraw/zinc/37/45/80/1133374580.db2.gz GYRKLDDKGJUYAH-UHFFFAOYSA-N 0 1 285.412 3.803 20 0 CHADMN Fc1ccc(CN2CC[C@@H](Oc3ccc(F)cc3)C2)cc1 ZINC001203914808 1133383455 /nfs/dbraw/zinc/38/34/55/1133383455.db2.gz ATJWINYVVRESHH-QGZVFWFLSA-N 0 1 289.325 3.618 20 0 CHADMN CCOc1ccc(CN(CC)Cc2cccnc2)cc1 ZINC001203967684 1133391133 /nfs/dbraw/zinc/39/11/33/1133391133.db2.gz PWFNUQZDUSQGGC-UHFFFAOYSA-N 0 1 270.376 3.502 20 0 CHADMN CCCCOc1ccc(CN2CC(c3cccnc3)C2)cc1 ZINC001203972116 1133392034 /nfs/dbraw/zinc/39/20/34/1133392034.db2.gz NWRQAOPLOBODIG-UHFFFAOYSA-N 0 1 296.414 3.860 20 0 CHADMN Cc1cc([C@H]2CCCN2Cc2c[nH]c3ccccc23)no1 ZINC001204041356 1133402630 /nfs/dbraw/zinc/40/26/30/1133402630.db2.gz IXPUXZRTDLPREE-QGZVFWFLSA-N 0 1 281.359 3.801 20 0 CHADMN COc1ccccc1[C@@H](C)N(C)Cc1ccc2c(c1)OCO2 ZINC001204054355 1133405027 /nfs/dbraw/zinc/40/50/27/1133405027.db2.gz MIZQDKBYPCKFFV-CYBMUJFWSA-N 0 1 299.370 3.617 20 0 CHADMN OC[C@H]1C[C@@H](F)CN(Cc2ccc(-c3ccccc3)cc2)C1 ZINC001204133848 1133409410 /nfs/dbraw/zinc/40/94/10/1133409410.db2.gz FTNBODRHCGROOW-QFBILLFUSA-N 0 1 299.389 3.506 20 0 CHADMN c1ccc(-c2ccc(CN3CCCC34COC4)cc2)cc1 ZINC001204139125 1133410152 /nfs/dbraw/zinc/41/01/52/1133410152.db2.gz ZAUAYFJESRNYJO-UHFFFAOYSA-N 0 1 279.383 3.718 20 0 CHADMN CC(C)c1ccc(CN2CCO[C@@H](C(C)C)C2)cc1 ZINC001204167892 1133413518 /nfs/dbraw/zinc/41/35/18/1133413518.db2.gz HBBDZXJGILPDMN-QGZVFWFLSA-N 0 1 261.409 3.667 20 0 CHADMN Cc1ccc(CN2CCO[C@](C)(c3ccc(F)cc3)C2)cc1 ZINC001204174500 1133414326 /nfs/dbraw/zinc/41/43/26/1133414326.db2.gz UMZMBMYZIBSXIL-IBGZPJMESA-N 0 1 299.389 3.882 20 0 CHADMN Fc1ccc(CN2CCC[C@@H]2Cc2ccccn2)c(F)c1 ZINC001204211121 1133419554 /nfs/dbraw/zinc/41/95/54/1133419554.db2.gz QBZDTCXUZFYNNX-MRXNPFEDSA-N 0 1 288.341 3.567 20 0 CHADMN COC(=O)c1ccc([C@@H]2CCCCN2Cc2ccoc2)cc1 ZINC001204248054 1133424543 /nfs/dbraw/zinc/42/45/43/1133424543.db2.gz SHBVIHJAFJUACR-KRWDZBQOSA-N 0 1 299.370 3.793 20 0 CHADMN COc1cccc(OC)c1CN(C)CCCc1ccccc1 ZINC001204249278 1133424794 /nfs/dbraw/zinc/42/47/94/1133424794.db2.gz DTMQAEDZSFAAEC-UHFFFAOYSA-N 0 1 299.414 3.768 20 0 CHADMN COc1ccc(CN2CCCC[C@@](C)(F)C2)c(OC)c1C ZINC001204255387 1133425721 /nfs/dbraw/zinc/42/57/21/1133425721.db2.gz JCVLNPKXOKBJMB-QGZVFWFLSA-N 0 1 295.398 3.726 20 0 CHADMN CSC(C)(C)CCN1CCc2ccc(F)c(F)c2C1 ZINC001204278312 1133426872 /nfs/dbraw/zinc/42/68/72/1133426872.db2.gz AJYMBCWMJGCFLG-UHFFFAOYSA-N 0 1 285.403 3.855 20 0 CHADMN Fc1ccc2[nH]ccc2c1Nc1ccnn1-c1ccncc1 ZINC001204284055 1133429104 /nfs/dbraw/zinc/42/91/04/1133429104.db2.gz NFDJCEZOXHCRLR-UHFFFAOYSA-N 0 1 293.305 3.631 20 0 CHADMN CCCOc1ccc(CN2CCC[C@](C)(F)C2)cc1 ZINC001204305404 1133433413 /nfs/dbraw/zinc/43/34/13/1133433413.db2.gz IZHKRVMJZNNTJY-INIZCTEOSA-N 0 1 265.372 3.799 20 0 CHADMN Cc1ccncc1CNCc1ccc(Cl)c(Cl)c1 ZINC000162710222 1133436800 /nfs/dbraw/zinc/43/68/00/1133436800.db2.gz BIVIREYDEMGYCE-UHFFFAOYSA-N 0 1 281.186 3.987 20 0 CHADMN CCc1ccc(CN2CCC[C@@H]2c2ccc(C)nc2)o1 ZINC001204394345 1133442314 /nfs/dbraw/zinc/44/23/14/1133442314.db2.gz BNBFWMPTSLKLAM-QGZVFWFLSA-N 0 1 270.376 3.883 20 0 CHADMN CC(C)(C)c1ccc(CN2CCc3ccncc3C2)cc1 ZINC001204397389 1133442776 /nfs/dbraw/zinc/44/27/76/1133442776.db2.gz KWHRKCBOVDWUQJ-UHFFFAOYSA-N 0 1 280.415 3.937 20 0 CHADMN CCc1ccc(CN2CCC3(Cc4ccccc4O3)CC2)o1 ZINC001204394435 1133443312 /nfs/dbraw/zinc/44/33/12/1133443312.db2.gz DIQWFOLPCMARRB-UHFFFAOYSA-N 0 1 297.398 3.812 20 0 CHADMN C[C@H]1CCCN(Cc2ccccc2OC(F)(F)F)C1 ZINC001204423614 1133445946 /nfs/dbraw/zinc/44/59/46/1133445946.db2.gz KQTTZSJFCPPEHW-NSHDSACASA-N 0 1 273.298 3.817 20 0 CHADMN F[C@H]1CCCN(Cc2ccccc2OC(F)(F)F)CC1 ZINC001204423816 1133446331 /nfs/dbraw/zinc/44/63/31/1133446331.db2.gz MLULMCKKKNSTNR-LBPRGKRZSA-N 0 1 291.288 3.909 20 0 CHADMN Fc1ccc(CN2CCC3(CCCOC3)CC2)c(Cl)c1 ZINC001204438418 1133447483 /nfs/dbraw/zinc/44/74/83/1133447483.db2.gz BGEGJLNLLXYEPV-UHFFFAOYSA-N 0 1 297.801 3.872 20 0 CHADMN Cc1c(F)cccc1CN1CCCC[C@@](C)(F)C1 ZINC001204508699 1133455350 /nfs/dbraw/zinc/45/53/50/1133455350.db2.gz RCRKPZLRIDJKBI-OAHLLOKOSA-N 0 1 253.336 3.848 20 0 CHADMN Cc1cc(C)cc(CN2CC[C@](C)(F)[C@H](F)C2)c1 ZINC001204519838 1133456914 /nfs/dbraw/zinc/45/69/14/1133456914.db2.gz OOTHBWGAYWUMRJ-CABCVRRESA-N 0 1 253.336 3.575 20 0 CHADMN Cc1cc(CN2CCC[C@H]2c2cccnc2)oc1C ZINC001204531766 1133459129 /nfs/dbraw/zinc/45/91/29/1133459129.db2.gz NYPPZHVMTLSILX-INIZCTEOSA-N 0 1 256.349 3.629 20 0 CHADMN CC(C)OC(=O)[C@H](C)N(C)C[C@@H](C)CC1CCCCC1 ZINC001204592324 1133465114 /nfs/dbraw/zinc/46/51/14/1133465114.db2.gz LSBWDYPXBXXISU-GJZGRUSLSA-N 0 1 283.456 3.865 20 0 CHADMN C[C@@H]1CN(Cc2cnn(CC3CCC3)c2)[C@@H]1c1ccccc1 ZINC001204681655 1133475091 /nfs/dbraw/zinc/47/50/91/1133475091.db2.gz LGNNAYNSZJWJDL-BEFAXECRSA-N 0 1 295.430 3.876 20 0 CHADMN c1ccc2[nH]c(CN3CC[C@H]4CCCC[C@@H]4C3)nc2c1 ZINC001204799777 1133486749 /nfs/dbraw/zinc/48/67/49/1133486749.db2.gz DNFPVKRSYWRQMW-ZIAGYGMSSA-N 0 1 269.392 3.575 20 0 CHADMN COc1c(Cl)cc(-c2ccc3[nH]nnc3c2)cc1Cl ZINC001204830658 1133490053 /nfs/dbraw/zinc/49/00/53/1133490053.db2.gz WNLZUXCMJGSAAZ-UHFFFAOYSA-N 0 1 294.141 3.940 20 0 CHADMN COc1c(Cl)cc(-c2ccc3nn[nH]c3c2)cc1Cl ZINC001204830658 1133490056 /nfs/dbraw/zinc/49/00/56/1133490056.db2.gz WNLZUXCMJGSAAZ-UHFFFAOYSA-N 0 1 294.141 3.940 20 0 CHADMN Cc1nc(C)c([C@@H](C)N(C)Cc2cc(C)nc(C)c2)s1 ZINC001204866847 1133493660 /nfs/dbraw/zinc/49/36/60/1133493660.db2.gz QWWRKEQSTCLULZ-CYBMUJFWSA-N 0 1 289.448 3.965 20 0 CHADMN Cc1nc(C)c([C@H](C)N(C)Cc2cc(C)nc(C)c2)s1 ZINC001204866854 1133493812 /nfs/dbraw/zinc/49/38/12/1133493812.db2.gz QWWRKEQSTCLULZ-ZDUSSCGKSA-N 0 1 289.448 3.965 20 0 CHADMN CN[C@H](c1nc(-c2ccc(C)c(C)c2)no1)C(C)(C)C ZINC001204887869 1133496086 /nfs/dbraw/zinc/49/60/86/1133496086.db2.gz ATCSNPLGWJKQNK-CYBMUJFWSA-N 0 1 273.380 3.660 20 0 CHADMN CN[C@H](c1nc(-c2cccc3ccncc32)no1)C(C)(C)C ZINC001204895343 1133497424 /nfs/dbraw/zinc/49/74/24/1133497424.db2.gz OLSTVBPOFWDOFB-CQSZACIVSA-N 0 1 296.374 3.591 20 0 CHADMN CCCOc1ccc(CN2CC[C@@H](C)[C@@H](F)C2)cc1C ZINC001204977775 1133511671 /nfs/dbraw/zinc/51/16/71/1133511671.db2.gz YXLKBUMNEKNDLU-CJNGLKHVSA-N 0 1 279.399 3.964 20 0 CHADMN Cc1nn(-c2ccccc2C)c(C)c1CN1CC=CCC1 ZINC001204977584 1133512088 /nfs/dbraw/zinc/51/20/88/1133512088.db2.gz XSFVWNZYBZXZKW-UHFFFAOYSA-N 0 1 281.403 3.559 20 0 CHADMN Cc1cc(-c2cccc3[nH]nnc32)cc(C)c1Cl ZINC001205052098 1133521708 /nfs/dbraw/zinc/52/17/08/1133521708.db2.gz KFMLDKWWKLTHCJ-UHFFFAOYSA-N 0 1 257.724 3.895 20 0 CHADMN CCc1[nH]nc(Cl)c1CN(C)C1CCCCCC1 ZINC001205129802 1133534677 /nfs/dbraw/zinc/53/46/77/1133534677.db2.gz AXOPPPITCSSTSY-UHFFFAOYSA-N 0 1 269.820 3.780 20 0 CHADMN CC(C)(C)C1CCN(Cc2ccc(Cl)nc2N)CC1 ZINC001205164743 1133540632 /nfs/dbraw/zinc/54/06/32/1133540632.db2.gz RSNRYAOVJJRXCN-UHFFFAOYSA-N 0 1 281.831 3.575 20 0 CHADMN Fc1cc(F)c(-c2cccc3nc[nH]c32)c(F)c1F ZINC001205174294 1133541623 /nfs/dbraw/zinc/54/16/23/1133541623.db2.gz SQUUIOMFOCYPJP-UHFFFAOYSA-N 0 1 266.197 3.786 20 0 CHADMN Cc1ccc(CN2CC[C@@H]2COCc2ccccc2)cc1F ZINC001205236654 1133548994 /nfs/dbraw/zinc/54/89/94/1133548994.db2.gz SPXLZPWQWCYBKO-GOSISDBHSA-N 0 1 299.389 3.925 20 0 CHADMN Clc1ccsc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001205319548 1133560247 /nfs/dbraw/zinc/56/02/47/1133560247.db2.gz GIYAOVOJUMNPRN-ZDUSSCGKSA-N 0 1 271.813 3.547 20 0 CHADMN Clc1ccsc1CN1CC[C@]2(C1)CCCCO2 ZINC001205319548 1133560249 /nfs/dbraw/zinc/56/02/49/1133560249.db2.gz GIYAOVOJUMNPRN-ZDUSSCGKSA-N 0 1 271.813 3.547 20 0 CHADMN CC[C@@H](C)N(CCO)Cc1ccc(F)c(Cl)c1Cl ZINC001205822259 1133619095 /nfs/dbraw/zinc/61/90/95/1133619095.db2.gz OOBDWTMHTFFPOV-SECBINFHSA-N 0 1 294.197 3.725 20 0 CHADMN CCn1cc(CN(Cc2ccccn2)C2CCCCC2)cn1 ZINC001205545166 1133587000 /nfs/dbraw/zinc/58/70/00/1133587000.db2.gz YVYVODOGQNBLIQ-UHFFFAOYSA-N 0 1 298.434 3.633 20 0 CHADMN Clc1ccccc1C[N@H+]1CC[C@H](OC2CCCC2)C1 ZINC001205567268 1133589613 /nfs/dbraw/zinc/58/96/13/1133589613.db2.gz LSIILPKEHCUOPK-HNNXBMFYSA-N 0 1 279.811 3.874 20 0 CHADMN Clc1ccccc1CN1CC[C@H](OC2CCCC2)C1 ZINC001205567268 1133589615 /nfs/dbraw/zinc/58/96/15/1133589615.db2.gz LSIILPKEHCUOPK-HNNXBMFYSA-N 0 1 279.811 3.874 20 0 CHADMN FC(F)(F)[C@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC001205593990 1133592135 /nfs/dbraw/zinc/59/21/35/1133592135.db2.gz NBXVGXQQPHUJQK-LBPRGKRZSA-N 0 1 268.282 3.552 20 0 CHADMN CCCc1ccc(CN2CCO[C@@H](C(C)(C)C)C2)s1 ZINC001205629412 1133597610 /nfs/dbraw/zinc/59/76/10/1133597610.db2.gz VQIFQRYCJLHSCU-OAHLLOKOSA-N 0 1 281.465 3.948 20 0 CHADMN Cc1ccc(F)c(CN2CCC3(CCC(=O)CC3)CC2)c1 ZINC001205661589 1133599847 /nfs/dbraw/zinc/59/98/47/1133599847.db2.gz CYIYPBOIUGOCBB-UHFFFAOYSA-N 0 1 289.394 3.859 20 0 CHADMN COC1(c2ccccc2)CN(C[C@H](C)c2ccccc2)C1 ZINC001205706489 1133604423 /nfs/dbraw/zinc/60/44/23/1133604423.db2.gz KZCRPWWPQQFRTH-INIZCTEOSA-N 0 1 281.399 3.648 20 0 CHADMN Clc1ccc([C@@H]2CCN(Cc3cnoc3)C2)cc1Cl ZINC001205703399 1133605215 /nfs/dbraw/zinc/60/52/15/1133605215.db2.gz BBADVBNREPJBLZ-GFCCVEGCSA-N 0 1 297.185 3.971 20 0 CHADMN Cc1[nH]nc(CN2CC3(CCCC3)c3cccc(F)c32)c1C ZINC001205707119 1133605379 /nfs/dbraw/zinc/60/53/79/1133605379.db2.gz XLWNHDCTDOZENP-UHFFFAOYSA-N 0 1 299.393 3.998 20 0 CHADMN COC(=O)c1cnc([C@H](C)N(C)[C@H]2CCCC[C@H]2C)s1 ZINC001205740042 1133608267 /nfs/dbraw/zinc/60/82/67/1133608267.db2.gz CCTPUMJPYTWVRA-WOPDTQHZSA-N 0 1 296.436 3.501 20 0 CHADMN COc1nsc(CN(C)[C@@H]2CCCC[C@@H]2C)c1Cl ZINC001205741247 1133608811 /nfs/dbraw/zinc/60/88/11/1133608811.db2.gz WSPUPCXDFCOCPC-VHSXEESVSA-N 0 1 288.844 3.816 20 0 CHADMN CCOc1c(F)c(F)ccc1-c1cncc2[nH]c(C)nc21 ZINC001205818144 1133619276 /nfs/dbraw/zinc/61/92/76/1133619276.db2.gz VGXYXLFEKZNWTF-UHFFFAOYSA-N 0 1 289.285 3.610 20 0 CHADMN CCOc1c(F)c(F)ccc1-c1c[nH]cc2nc(C)nc1-2 ZINC001205818144 1133619278 /nfs/dbraw/zinc/61/92/78/1133619278.db2.gz VGXYXLFEKZNWTF-UHFFFAOYSA-N 0 1 289.285 3.610 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1ccc(C(F)(F)F)nc1Cl ZINC001205840637 1133620822 /nfs/dbraw/zinc/62/08/22/1133620822.db2.gz MERXUXUSBZJQSM-MRVPVSSYSA-N 0 1 292.732 3.984 20 0 CHADMN CCCN(Cc1[nH]ncc1C)c1ccc(CC)cc1 ZINC001205875796 1133625175 /nfs/dbraw/zinc/62/51/75/1133625175.db2.gz OPRKSMPHVLUZLJ-UHFFFAOYSA-N 0 1 257.381 3.697 20 0 CHADMN Cc1cc(CN[C@@H](C)c2nccc3ccccc32)ccn1 ZINC001205898367 1133628481 /nfs/dbraw/zinc/62/84/81/1133628481.db2.gz SACYZFFFUBFOBS-AWEZNQCLSA-N 0 1 277.371 3.789 20 0 CHADMN c1cc(CNc2cc3c(cn2)CCCC3)c2c(c1)CCCN2 ZINC001205980374 1133636894 /nfs/dbraw/zinc/63/68/94/1133636894.db2.gz ISFQGAHNBGMJGP-UHFFFAOYSA-N 0 1 293.414 3.931 20 0 CHADMN C[C@@H]1CCC(C)(C)C[C@H]1NCc1ncn(-c2ccccc2)n1 ZINC001205988070 1133639262 /nfs/dbraw/zinc/63/92/62/1133639262.db2.gz FBTVHIQFQOVSGW-GDBMZVCRSA-N 0 1 298.434 3.572 20 0 CHADMN C(=C/c1ncnc2c1CNC2)\c1ccc(-c2ccccc2)cc1 ZINC001206018047 1133642256 /nfs/dbraw/zinc/64/22/56/1133642256.db2.gz XKUNJYRXYKRJOA-DHZHZOJOSA-N 0 1 299.377 3.917 20 0 CHADMN Cc1nc(CN2CCC[C@H](CCc3ccccc3)C2)co1 ZINC001206087056 1133654795 /nfs/dbraw/zinc/65/47/95/1133654795.db2.gz MRVHEUUSCQINKI-QGZVFWFLSA-N 0 1 284.403 3.828 20 0 CHADMN CCC1(C)CN(Cc2cn(-c3ccccc3F)nc2C)C1 ZINC001206195276 1133669232 /nfs/dbraw/zinc/66/92/32/1133669232.db2.gz QPBUPRHIDKHKPK-UHFFFAOYSA-N 0 1 287.382 3.552 20 0 CHADMN Cc1ccnc(N)c1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1C ZINC001206276672 1133681280 /nfs/dbraw/zinc/68/12/80/1133681280.db2.gz NLGSFAHTRSSVKP-KRWDZBQOSA-N 0 1 299.393 3.757 20 0 CHADMN Cc1ccccc1CN1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC001206577933 1133721068 /nfs/dbraw/zinc/72/10/68/1133721068.db2.gz PJYAIDSGIZPNSC-GDBMZVCRSA-N 0 1 289.419 3.690 20 0 CHADMN CCO[C@H]1C[C@H](Nc2nc(C)ccc2CC)C12CCC2 ZINC001206661109 1133731204 /nfs/dbraw/zinc/73/12/04/1133731204.db2.gz OPGIDOZIOQSNDE-GJZGRUSLSA-N 0 1 274.408 3.712 20 0 CHADMN Cc1cc(Nc2cc(O)cc(F)c2)c2ccccc2n1 ZINC001206755231 1133742236 /nfs/dbraw/zinc/74/22/36/1133742236.db2.gz WTDMPXNHJYDUCJ-UHFFFAOYSA-N 0 1 268.291 3.553 20 0 CHADMN COc1cc(-c2cc(F)c(O)cc2F)nc2ccccc21 ZINC001206760789 1133743474 /nfs/dbraw/zinc/74/34/74/1133743474.db2.gz CXGWQYSJDILSJH-UHFFFAOYSA-N 0 1 287.265 3.894 20 0 CHADMN CCCCc1nc(C)cc(-c2cc(F)c(O)cc2F)n1 ZINC001206767763 1133745594 /nfs/dbraw/zinc/74/55/94/1133745594.db2.gz JMHUVMVPAFFMCY-UHFFFAOYSA-N 0 1 278.302 3.778 20 0 CHADMN CC(C)COc1cccc(-c2cc(F)c(O)cc2F)n1 ZINC001206767695 1133745684 /nfs/dbraw/zinc/74/56/84/1133745684.db2.gz HTJLHGYFKFPSPG-UHFFFAOYSA-N 0 1 279.286 3.767 20 0 CHADMN Cc1cc(-c2cc(F)c(O)cc2F)nc(C(C)C)n1 ZINC001206768017 1133745705 /nfs/dbraw/zinc/74/57/05/1133745705.db2.gz NHIOORXZQMOTNL-UHFFFAOYSA-N 0 1 264.275 3.559 20 0 CHADMN CC(C)(F)c1ccnc(-c2cc(F)c(O)cc2F)c1 ZINC001206775968 1133747390 /nfs/dbraw/zinc/74/73/90/1133747390.db2.gz SUWQDYTWZWSLTC-UHFFFAOYSA-N 0 1 267.250 3.937 20 0 CHADMN COc1ccc(-c2cc(CN3CCC[C@@H](C)C3)no2)cc1 ZINC001206822752 1133752751 /nfs/dbraw/zinc/75/27/51/1133752751.db2.gz DLDQHWIRMHJFKJ-CYBMUJFWSA-N 0 1 286.375 3.582 20 0 CHADMN CC1CC(N(C)Cc2cc(-c3ccccc3)on2)C1 ZINC001206842606 1133753834 /nfs/dbraw/zinc/75/38/34/1133753834.db2.gz NAVFEABUAVMPHB-UHFFFAOYSA-N 0 1 256.349 3.572 20 0 CHADMN CN(Cc1cc(-c2ccc(F)cc2)on1)CC(C)(C)C ZINC001206833731 1133754074 /nfs/dbraw/zinc/75/40/74/1133754074.db2.gz LOJQKUXGHSYUQC-UHFFFAOYSA-N 0 1 276.355 3.959 20 0 CHADMN CN(Cc1cc(-c2ccccc2)on1)C[C@@H]1CC1(C)C ZINC001206846303 1133756134 /nfs/dbraw/zinc/75/61/34/1133756134.db2.gz PHUJEQGLSFCSMI-AWEZNQCLSA-N 0 1 270.376 3.820 20 0 CHADMN CN(CCc1ccc(Cl)cc1)Cc1ncc2ccccn21 ZINC001207053408 1133763725 /nfs/dbraw/zinc/76/37/25/1133763725.db2.gz QXUHXHJLNSIZDL-UHFFFAOYSA-N 0 1 299.805 3.662 20 0 CHADMN Fc1cnc(CN2CC[C@H](C3CCCCC3)C2)c(F)c1 ZINC001207099015 1133766835 /nfs/dbraw/zinc/76/68/35/1133766835.db2.gz LZWFUHZXFQFHTP-ZDUSSCGKSA-N 0 1 280.362 3.762 20 0 CHADMN Cc1ccccc1OC1CCN(Cc2cccnc2C)CC1 ZINC001207147599 1133771899 /nfs/dbraw/zinc/77/18/99/1133771899.db2.gz JUJIMOSFGMXYFI-UHFFFAOYSA-N 0 1 296.414 3.742 20 0 CHADMN CC(C)n1nccc1CN(C)CCc1cccc(Cl)c1 ZINC001207173211 1133773991 /nfs/dbraw/zinc/77/39/91/1133773991.db2.gz IYSLALPCZCJWCA-UHFFFAOYSA-N 0 1 291.826 3.792 20 0 CHADMN CC(C)n1nccc1CN1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001207174832 1133774598 /nfs/dbraw/zinc/77/45/98/1133774598.db2.gz GTUFTTUDHRGQMO-GASCZTMLSA-N 0 1 281.403 3.551 20 0 CHADMN Clc1ccc([C@H]2C[C@@H]2CN2CC3(C2)CCCCO3)cc1 ZINC001207182987 1133774979 /nfs/dbraw/zinc/77/49/79/1133774979.db2.gz WHTDJKTZROMBHN-GDBMZVCRSA-N 0 1 291.822 3.698 20 0 CHADMN C[C@H]1CCC[C@H](C2CN(Cc3cnc(C4CC4)o3)C2)C1 ZINC001207235453 1133780795 /nfs/dbraw/zinc/78/07/95/1133780795.db2.gz WXVGGVPRQHUWQC-JSGCOSHPSA-N 0 1 274.408 3.810 20 0 CHADMN CC(C)=CCC[C@H](C)CCN1CC(OC(C)C)C1 ZINC001207403547 1133797453 /nfs/dbraw/zinc/79/74/53/1133797453.db2.gz NSSLJJOMOHOZEI-HNNXBMFYSA-N 0 1 253.430 3.868 20 0 CHADMN C[C@@H](CC1CCCCC1)CN1CCO[C@@H](C(F)F)C1 ZINC001207448688 1133802130 /nfs/dbraw/zinc/80/21/30/1133802130.db2.gz LTNKQAZASAEKOY-GXTWGEPZSA-N 0 1 275.383 3.559 20 0 CHADMN C[C@H]1CN(Cc2ccnn2C2CCC2)Cc2ccccc21 ZINC001207449279 1133802985 /nfs/dbraw/zinc/80/29/85/1133802985.db2.gz UXYDWUSNNROBIW-AWEZNQCLSA-N 0 1 281.403 3.727 20 0 CHADMN C[C@H]1CC(=O)CCN1CC(c1ccccc1)c1ccccc1 ZINC001207522307 1133813037 /nfs/dbraw/zinc/81/30/37/1133813037.db2.gz BPRKNLRFFRPPFN-INIZCTEOSA-N 0 1 293.410 3.872 20 0 CHADMN Cc1cccc(CCN2CCc3cc(F)c(F)cc3C2)c1 ZINC001207554593 1133819818 /nfs/dbraw/zinc/81/98/18/1133819818.db2.gz AIAQAOVWCDMTFW-UHFFFAOYSA-N 0 1 287.353 3.874 20 0 CHADMN Clc1ccc(CCCN2CCCCC23COC3)cc1 ZINC001207596001 1133826619 /nfs/dbraw/zinc/82/66/19/1133826619.db2.gz OYBUORXKLUQGAR-UHFFFAOYSA-N 0 1 279.811 3.528 20 0 CHADMN c1csc(N2CCN(CCCC3CCCCC3)CC2)n1 ZINC001207606324 1133829041 /nfs/dbraw/zinc/82/90/41/1133829041.db2.gz IXYKGZPQMMHDQH-UHFFFAOYSA-N 0 1 293.480 3.626 20 0 CHADMN COc1cccc2c1C[N@@H+](CC1(c3ccccc3)CC1)C2 ZINC001207839739 1133853347 /nfs/dbraw/zinc/85/33/47/1133853347.db2.gz WOXJAJLHTQGUEP-UHFFFAOYSA-N 0 1 279.383 3.743 20 0 CHADMN COc1cccc2c1CN(CC1(c3ccccc3)CC1)C2 ZINC001207839739 1133853353 /nfs/dbraw/zinc/85/33/53/1133853353.db2.gz WOXJAJLHTQGUEP-UHFFFAOYSA-N 0 1 279.383 3.743 20 0 CHADMN C[C@H](CN1CC(OCc2ccccc2)C1)c1ccccc1 ZINC001207910158 1133862666 /nfs/dbraw/zinc/86/26/66/1133862666.db2.gz KSZMRJBOQUTEAS-MRXNPFEDSA-N 0 1 281.399 3.691 20 0 CHADMN CC(C)c1ccc(C[C@H](C)CN2C[C@H]3CC[C@@H]2CO3)cc1 ZINC001207936448 1133865795 /nfs/dbraw/zinc/86/57/95/1133865795.db2.gz GWBOZKPFTLZZOB-KFKAGJAMSA-N 0 1 287.447 3.852 20 0 CHADMN Cc1ccc(CCCN(C)Cc2cn3ccc(C)cc3n2)o1 ZINC001207949577 1133868057 /nfs/dbraw/zinc/86/80/57/1133868057.db2.gz KCZITQXRRPJQDF-UHFFFAOYSA-N 0 1 297.402 3.609 20 0 CHADMN Cc1ccc(CCCN2CCc3ccc(F)cc3C2)o1 ZINC001207949056 1133869440 /nfs/dbraw/zinc/86/94/40/1133869440.db2.gz DEURMOKRFSIPDD-UHFFFAOYSA-N 0 1 273.351 3.718 20 0 CHADMN Fc1cc(F)cc([C@H]2CCCN2C[C@H]2CCCCO2)c1 ZINC001207965854 1133870003 /nfs/dbraw/zinc/87/00/03/1133870003.db2.gz YWSOAGZHOQLZDB-HZPDHXFCSA-N 0 1 281.346 3.671 20 0 CHADMN CS[C@H](C)CCN(C)Cc1nc2ccccc2s1 ZINC001208139711 1133884467 /nfs/dbraw/zinc/88/44/67/1133884467.db2.gz UDGNPQFMCBVUKO-LLVKDONJSA-N 0 1 280.462 3.870 20 0 CHADMN CS[C@H](C)CCN1CCc2c3ccccc3oc2C1 ZINC001208156375 1133888184 /nfs/dbraw/zinc/88/81/84/1133888184.db2.gz XEAWCBJJMGDFEL-GFCCVEGCSA-N 0 1 275.417 3.933 20 0 CHADMN Cc1ccc([C@@H](C)CCN2CCC[C@H]2c2nc(C)no2)o1 ZINC001208169439 1133894279 /nfs/dbraw/zinc/89/42/79/1133894279.db2.gz SJXVDKQPTWWKPL-FZMZJTMJSA-N 0 1 289.379 3.610 20 0 CHADMN COC(C)(C)CCC[C@@H](C)CCN(C)Cc1cnccn1 ZINC001208204716 1133907303 /nfs/dbraw/zinc/90/73/03/1133907303.db2.gz DNYQJOZKNNVTCR-OAHLLOKOSA-N 0 1 293.455 3.530 20 0 CHADMN CCCCOc1cccc(Nc2c(C)ncn2C)c1 ZINC001208637780 1133921435 /nfs/dbraw/zinc/92/14/35/1133921435.db2.gz RZAHTNQPSKEFMT-UHFFFAOYSA-N 0 1 259.353 3.651 20 0 CHADMN CC(C)(CCN1CCn2cccc2C1)c1ccccc1 ZINC001208667951 1133925681 /nfs/dbraw/zinc/92/56/81/1133925681.db2.gz QMDYYESMZSTIEI-UHFFFAOYSA-N 0 1 268.404 3.672 20 0 CHADMN C[C@@H](C[N@H+]1CCc2ccsc2C1)OCc1ccccc1 ZINC001208700084 1133931797 /nfs/dbraw/zinc/93/17/97/1133931797.db2.gz CQYYTUXBUPCFTD-AWEZNQCLSA-N 0 1 287.428 3.712 20 0 CHADMN COC(=O)[C@H]1CCCN1C[C@H](C)c1cccc2ccccc21 ZINC001208706150 1133932884 /nfs/dbraw/zinc/93/28/84/1133932884.db2.gz MNRIOGBYVZZTHN-KBXCAEBGSA-N 0 1 297.398 3.581 20 0 CHADMN COC1(C)CN(C[C@H](C)c2cccc3ccccc32)C1 ZINC001208707905 1133933012 /nfs/dbraw/zinc/93/30/12/1133933012.db2.gz VDXCIJXZYFKSBR-AWEZNQCLSA-N 0 1 269.388 3.664 20 0 CHADMN CCN(C[C@@H](C)c1cccc2ccccc21)[C@@H](C)C(=O)OC ZINC001208713503 1133934652 /nfs/dbraw/zinc/93/46/52/1133934652.db2.gz YZEMNYPMWLNVSM-CABCVRRESA-N 0 1 299.414 3.827 20 0 CHADMN COc1ccccc1CCC[N@H+]1CCc2c(F)cccc2C1 ZINC001208841258 1133949748 /nfs/dbraw/zinc/94/97/48/1133949748.db2.gz RHWNDJIRKKAGDA-UHFFFAOYSA-N 0 1 299.389 3.825 20 0 CHADMN Brc1ccccc1CCCN1CCC[C@H]2C[C@H]21 ZINC001208848174 1133951155 /nfs/dbraw/zinc/95/11/55/1133951155.db2.gz LGCDHBMAZXYMFH-DZGCQCFKSA-N 0 1 294.236 3.866 20 0 CHADMN c1ccc(CN(Cc2cccnc2)C[C@H]2CCC=CO2)cc1 ZINC001208879379 1133956855 /nfs/dbraw/zinc/95/68/55/1133956855.db2.gz FEJVUYFOTLHPTH-LJQANCHMSA-N 0 1 294.398 3.777 20 0 CHADMN CCC(=O)C(C)(C)C[N@H+]1CCc2c(Cl)cccc2C1 ZINC001208919803 1133962371 /nfs/dbraw/zinc/96/23/71/1133962371.db2.gz DICYYKKGIZTDIY-UHFFFAOYSA-N 0 1 279.811 3.703 20 0 CHADMN CCC(=O)C(C)(C)CN1CCc2c(Cl)cccc2C1 ZINC001208919803 1133962375 /nfs/dbraw/zinc/96/23/75/1133962375.db2.gz DICYYKKGIZTDIY-UHFFFAOYSA-N 0 1 279.811 3.703 20 0 CHADMN CCC[C@H](C(=O)c1ccccc1)N(C)CC(C)(C)OCC ZINC001209077120 1133972273 /nfs/dbraw/zinc/97/22/73/1133972273.db2.gz ZATPBOGTZDSSGS-MRXNPFEDSA-N 0 1 291.435 3.785 20 0 CHADMN Fc1ccc(CC[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c(Cl)c1 ZINC001209110381 1133976550 /nfs/dbraw/zinc/97/65/50/1133976550.db2.gz UTAHTMPIAJQYCT-XJKSGUPXSA-N 0 1 297.801 3.523 20 0 CHADMN Fc1ccc(CCN2CC[C@@H]3CCCO[C@@H]3C2)c(Cl)c1 ZINC001209110381 1133976555 /nfs/dbraw/zinc/97/65/55/1133976555.db2.gz UTAHTMPIAJQYCT-XJKSGUPXSA-N 0 1 297.801 3.523 20 0 CHADMN Fc1cc(F)cc(CC[N@H+]2CCc3ccsc3C2)c1 ZINC001209134549 1133980846 /nfs/dbraw/zinc/98/08/46/1133980846.db2.gz APWAMQRHFIATGY-UHFFFAOYSA-N 0 1 279.355 3.627 20 0 CHADMN Fc1cc(F)cc(CCN2CCc3ccsc3C2)c1 ZINC001209134549 1133980851 /nfs/dbraw/zinc/98/08/51/1133980851.db2.gz APWAMQRHFIATGY-UHFFFAOYSA-N 0 1 279.355 3.627 20 0 CHADMN COCCCCN1CCSC[C@H]1c1cccc(Cl)c1 ZINC001209218635 1133989941 /nfs/dbraw/zinc/98/99/41/1133989941.db2.gz KAKRXZUDLIGESX-HNNXBMFYSA-N 0 1 299.867 3.857 20 0 CHADMN CC/C=C\CCCCCCN1CCOCC12CC2 ZINC001209288083 1134004551 /nfs/dbraw/zinc/00/45/51/1134004551.db2.gz BCEPAHWCNRUUOT-ARJAWSKDSA-N 0 1 251.414 3.768 20 0 CHADMN C[C@@H]1C[C@H]1CN1CCO[C@](C)(c2ccc(Cl)cc2)C1 ZINC001209420155 1134014791 /nfs/dbraw/zinc/01/47/91/1134014791.db2.gz BXBSCYSNCMXHND-WWGRRREGSA-N 0 1 279.811 3.543 20 0 CHADMN C[C@@H]1C[C@@H]1CN1CCO[C@@](C)(c2ccc(Cl)cc2)C1 ZINC001209420156 1134015408 /nfs/dbraw/zinc/01/54/08/1134015408.db2.gz BXBSCYSNCMXHND-XJKCOSOUSA-N 0 1 279.811 3.543 20 0 CHADMN C[C@H]1C[C@H]1CN1CCc2c(cccc2C(F)(F)F)C1 ZINC001209434290 1134018528 /nfs/dbraw/zinc/01/85/28/1134018528.db2.gz XLGZTRNMXISQJN-JQWIXIFHSA-N 0 1 269.310 3.720 20 0 CHADMN Cc1cccc2c(CN(C)Cc3cccnc3)c[nH]c21 ZINC001209483824 1134026619 /nfs/dbraw/zinc/02/66/19/1134026619.db2.gz DDQOOSCIEOVHIM-UHFFFAOYSA-N 0 1 265.360 3.503 20 0 CHADMN Cc1ccc2[nH]cc(CN3CCC[C@@H]3c3cnccn3)c2c1 ZINC001209498095 1134030735 /nfs/dbraw/zinc/03/07/35/1134030735.db2.gz ZKIIGGRZNUBKIW-GOSISDBHSA-N 0 1 292.386 3.603 20 0 CHADMN Cn1nc2ccccc2c1CN(Cc1ccccc1)C1CC1 ZINC001209539816 1134036155 /nfs/dbraw/zinc/03/61/55/1134036155.db2.gz MFOGUKDXGMSYFJ-UHFFFAOYSA-N 0 1 291.398 3.738 20 0 CHADMN Cc1[nH]c2ncccc2c1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001209591234 1134038609 /nfs/dbraw/zinc/03/86/09/1134038609.db2.gz QRAYGNCKRYYYDY-XJKSGUPXSA-N 0 1 269.392 3.636 20 0 CHADMN COc1ccc(CN(C)Cc2cnc(Cl)cc2C)cc1 ZINC001209632640 1134044447 /nfs/dbraw/zinc/04/44/47/1134044447.db2.gz ZPEOCBFTNNTCFP-UHFFFAOYSA-N 0 1 290.794 3.684 20 0 CHADMN Cc1cc(Cl)ncc1CN1CC[C@H](C)C(F)(F)CC1 ZINC001209631836 1134045767 /nfs/dbraw/zinc/04/57/67/1134045767.db2.gz QRWURMMVZXMABU-NSHDSACASA-N 0 1 288.769 3.911 20 0 CHADMN C[C@@H]1C[C@H](F)CN1Cc1cccc2[nH]cc(Cl)c21 ZINC001209658740 1134049493 /nfs/dbraw/zinc/04/94/93/1134049493.db2.gz TUVQJEJBCFAMPR-KOLCDFICSA-N 0 1 266.747 3.754 20 0 CHADMN C[N@@H+](CCc1ccccn1)Cc1cc2cc(Cl)ccc2[nH]1 ZINC001209719682 1134052981 /nfs/dbraw/zinc/05/29/81/1134052981.db2.gz ZURXMBDAWBOVOR-UHFFFAOYSA-N 0 1 299.805 3.891 20 0 CHADMN Cc1cccn2cc(CN3CC[C@@H](C)C(F)(F)CC3)nc12 ZINC001209735049 1134054701 /nfs/dbraw/zinc/05/47/01/1134054701.db2.gz DTIGASPKOGUJHS-CYBMUJFWSA-N 0 1 293.361 3.510 20 0 CHADMN COc1ccc2oc(CN3CCCC[C@@H](F)C3)cc2c1 ZINC001209769499 1134062302 /nfs/dbraw/zinc/06/23/02/1134062302.db2.gz KFZMBACTVYXOPE-CYBMUJFWSA-N 0 1 277.339 3.765 20 0 CHADMN COc1ccc2oc(CN3CCCC[C@H](F)C3)cc2c1 ZINC001209769501 1134063358 /nfs/dbraw/zinc/06/33/58/1134063358.db2.gz KFZMBACTVYXOPE-ZDUSSCGKSA-N 0 1 277.339 3.765 20 0 CHADMN c1nc2ccc(Nc3cc(Cc4ccccc4)no3)cc2[nH]1 ZINC001209841451 1134078204 /nfs/dbraw/zinc/07/82/04/1134078204.db2.gz PKTWICTVEVRMSL-UHFFFAOYSA-N 0 1 290.326 3.885 20 0 CHADMN Cc1cc(Cl)ncc1Nc1ccc2nc[nH]c2c1 ZINC001209843341 1134079484 /nfs/dbraw/zinc/07/94/84/1134079484.db2.gz WNBGRONCJDZGRX-UHFFFAOYSA-N 0 1 258.712 3.663 20 0 CHADMN c1nc2ccc(Nc3csc(-c4ccncc4)n3)cc2[nH]1 ZINC001209847502 1134080111 /nfs/dbraw/zinc/08/01/11/1134080111.db2.gz FALRRKZOVWSFJL-UHFFFAOYSA-N 0 1 293.355 3.825 20 0 CHADMN COc1cccc(C(C)=O)c1Nc1ccc2nc[nH]c2c1 ZINC001209848085 1134080772 /nfs/dbraw/zinc/08/07/72/1134080772.db2.gz FJNFWQCCHVTGNT-UHFFFAOYSA-N 0 1 281.315 3.518 20 0 CHADMN COc1cccc(C)c1Nc1ccc2nc[nH]c2c1 ZINC001209847304 1134080791 /nfs/dbraw/zinc/08/07/91/1134080791.db2.gz BEXOPKIZNGJRFQ-UHFFFAOYSA-N 0 1 253.305 3.624 20 0 CHADMN Cc1cc(C)c(Nc2ccc3nc[nH]c3c2)c(C)c1N ZINC001209847440 1134081432 /nfs/dbraw/zinc/08/14/32/1134081432.db2.gz QDGDFGBWXJHSIA-UHFFFAOYSA-N 0 1 266.348 3.814 20 0 CHADMN Nc1cc(F)c(Cl)cc1Nc1ccc2nc[nH]c2c1 ZINC001209847387 1134082231 /nfs/dbraw/zinc/08/22/31/1134082231.db2.gz PQJWXQCOTJCECJ-UHFFFAOYSA-N 0 1 276.702 3.681 20 0 CHADMN COc1c(F)ccc(Nc2ccc3nc[nH]c3c2)c1F ZINC001209848222 1134085408 /nfs/dbraw/zinc/08/54/08/1134085408.db2.gz ISMVUKAZSIWTTR-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN Cc1[nH+]c2c(Nc3cc(F)cc(C(=O)[O-])c3)cccn2c1C ZINC001209889529 1134096310 /nfs/dbraw/zinc/09/63/10/1134096310.db2.gz OFOJDNGXKIJMKF-UHFFFAOYSA-N 0 1 299.305 3.532 20 0 CHADMN Cc1cc(N)ncc1Nc1nc2cccc(Cl)c2s1 ZINC001209961252 1134110876 /nfs/dbraw/zinc/11/08/76/1134110876.db2.gz FJNAPOVLEHJFBO-UHFFFAOYSA-N 0 1 290.779 3.979 20 0 CHADMN Cc1cc(N)ncc1Nc1cc(-c2cccc(F)c2)no1 ZINC001209967149 1134111664 /nfs/dbraw/zinc/11/16/64/1134111664.db2.gz NUNXBEDJPZFUHL-UHFFFAOYSA-N 0 1 284.294 3.510 20 0 CHADMN COc1ccc(Nc2cnc(N)cc2C)c(C(F)(F)F)c1 ZINC001209965383 1134111707 /nfs/dbraw/zinc/11/17/07/1134111707.db2.gz AILKYDIWLQGOFN-UHFFFAOYSA-N 0 1 297.280 3.743 20 0 CHADMN Cc1cc(Nc2cnc(N)cc2C)c2ccsc2n1 ZINC001209965517 1134111744 /nfs/dbraw/zinc/11/17/44/1134111744.db2.gz DUAXFXTWKZTOKC-UHFFFAOYSA-N 0 1 270.361 3.634 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc2nc(Cl)ccc2c1 ZINC001209970751 1134112365 /nfs/dbraw/zinc/11/23/65/1134112365.db2.gz CCNIMLOMJPABHV-UHFFFAOYSA-N 0 1 284.750 3.917 20 0 CHADMN Cc1cc(N)ncc1Nc1ccc(C(=O)OCC(C)C)cc1 ZINC001209970522 1134112732 /nfs/dbraw/zinc/11/27/32/1134112732.db2.gz WCGVNKRCPXAVEH-UHFFFAOYSA-N 0 1 299.374 3.529 20 0 CHADMN CC(C)Oc1ccccc1Nc1ccnn1-c1ccncc1 ZINC001210024063 1134125823 /nfs/dbraw/zinc/12/58/23/1134125823.db2.gz YAJMBUDTWQIZLB-UHFFFAOYSA-N 0 1 294.358 3.798 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(N(C)C)c(C)c1 ZINC001210041620 1134131058 /nfs/dbraw/zinc/13/10/58/1134131058.db2.gz PWVVNVISYHZWMC-UHFFFAOYSA-N 0 1 298.365 3.900 20 0 CHADMN Cc1cc(C[C@H](C)Nc2ccc3cnccc3c2)on1 ZINC001210043656 1134133300 /nfs/dbraw/zinc/13/33/00/1134133300.db2.gz HXLXHDDUYSWFAX-NSHDSACASA-N 0 1 267.332 3.574 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(O)cc1C ZINC001210101412 1134145413 /nfs/dbraw/zinc/14/54/13/1134145413.db2.gz FGWFCJHFLCYRGV-UHFFFAOYSA-N 0 1 253.305 3.629 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(Cl)cnc1C ZINC001210100689 1134145711 /nfs/dbraw/zinc/14/57/11/1134145711.db2.gz YVDBTGSHRQRRKQ-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1ccc(C(F)F)nc1 ZINC001210101183 1134145990 /nfs/dbraw/zinc/14/59/90/1134145990.db2.gz CZINRSGMCTVIOD-UHFFFAOYSA-N 0 1 274.274 3.948 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1nnc(C(C)(C)C)s1 ZINC001210100342 1134146089 /nfs/dbraw/zinc/14/60/89/1134146089.db2.gz OYZYRZRHZPFNLY-UHFFFAOYSA-N 0 1 287.392 3.764 20 0 CHADMN Cc1cc2[nH]ncc2cc1Nc1cc(Cl)nnc1Cl ZINC001210100051 1134146171 /nfs/dbraw/zinc/14/61/71/1134146171.db2.gz FHQKIZCDMQFVLD-UHFFFAOYSA-N 0 1 294.145 3.712 20 0 CHADMN COc1cccc(OC)c1Nc1cc2cn[nH]c2cc1C ZINC001210102928 1134146658 /nfs/dbraw/zinc/14/66/58/1134146658.db2.gz REDYOCCQIQNDNK-UHFFFAOYSA-N 0 1 283.331 3.632 20 0 CHADMN COC(=O)c1ccc(Nc2cc3cn[nH]c3cc2C)c(F)c1 ZINC001210101872 1134146754 /nfs/dbraw/zinc/14/67/54/1134146754.db2.gz HXPBMTWPFJJICG-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Cc1cnc(Cl)cc1Nc1cc2cn[nH]c2cc1C ZINC001210102713 1134147081 /nfs/dbraw/zinc/14/70/81/1134147081.db2.gz RJZZURIILVHORI-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN CC(=O)c1c(F)cccc1Nc1cc2cn[nH]c2cc1C ZINC001210104838 1134147811 /nfs/dbraw/zinc/14/78/11/1134147811.db2.gz FCUQHFAVRIMSIZ-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN Cc1ccc(CCCO)c(Nc2cc3cn[nH]c3cc2C)c1 ZINC001210107137 1134148930 /nfs/dbraw/zinc/14/89/30/1134148930.db2.gz WCVTUDCKEPCFHA-UHFFFAOYSA-N 0 1 295.386 3.848 20 0 CHADMN CC1(C)CC=C(Nc2c(CO)ccc(F)c2F)CC1 ZINC001210168746 1134160002 /nfs/dbraw/zinc/16/00/02/1134160002.db2.gz XMSUPKCUVILBCV-UHFFFAOYSA-N 0 1 267.319 3.963 20 0 CHADMN Cc1cc(Nc2cccc3cc[nH]c32)n(-c2ccncc2)n1 ZINC001210211089 1134166580 /nfs/dbraw/zinc/16/65/80/1134166580.db2.gz CFZNWGQUPQKIDD-UHFFFAOYSA-N 0 1 289.342 3.801 20 0 CHADMN Cc1cc(Nc2ccc(C)c(CO)c2)c2ccccc2n1 ZINC001210246724 1134176915 /nfs/dbraw/zinc/17/69/15/1134176915.db2.gz XIMBRNJYODSTNF-UHFFFAOYSA-N 0 1 278.355 3.509 20 0 CHADMN COc1ccc(C(=O)[O-])cc1Nc1ccc2c[nH+]ccc2c1 ZINC001210255279 1134179432 /nfs/dbraw/zinc/17/94/32/1134179432.db2.gz QSTVPSUQJNLJHZ-UHFFFAOYSA-N 0 1 294.310 3.685 20 0 CHADMN CCc1cc(OC)ccc1Nc1ccnn1-c1ccncc1 ZINC001210713580 1134280049 /nfs/dbraw/zinc/28/00/49/1134280049.db2.gz SXUJEHAOQKRLLY-UHFFFAOYSA-N 0 1 294.358 3.582 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1cccc(O)c1Cl ZINC001210854864 1134313048 /nfs/dbraw/zinc/31/30/48/1134313048.db2.gz CYGJJQWSVLZQOT-UHFFFAOYSA-N 0 1 291.713 3.884 20 0 CHADMN Cc1cccc2ncc(Nc3cccc(OC4CC4)c3)n21 ZINC001210860930 1134316818 /nfs/dbraw/zinc/31/68/18/1134316818.db2.gz HVZKSFQKWFHCBX-UHFFFAOYSA-N 0 1 279.343 3.928 20 0 CHADMN Cc1nsc(Nc2cc(Cl)c(O)c(Cl)c2)n1 ZINC001210923000 1134327833 /nfs/dbraw/zinc/32/78/33/1134327833.db2.gz HPDLDSHABMIIOZ-UHFFFAOYSA-N 0 1 276.148 3.603 20 0 CHADMN C[C@H](O)c1ccnc(Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC001210927482 1134328975 /nfs/dbraw/zinc/32/89/75/1134328975.db2.gz QGQMUYPPNHCOSV-ZETCQYMHSA-N 0 1 299.157 3.891 20 0 CHADMN Cc1[nH+]c2c(Nc3cccc([S-])c3)cccn2c1C ZINC001210946177 1134334973 /nfs/dbraw/zinc/33/49/73/1134334973.db2.gz FQCVLSGOWQUWKO-UHFFFAOYSA-N 0 1 269.373 3.983 20 0 CHADMN Cc1cc(C)nc(Nc2ccc(N3CCOCC3)c(C)c2)c1 ZINC001210968239 1134341062 /nfs/dbraw/zinc/34/10/62/1134341062.db2.gz ARRMQQJEHYXTHM-UHFFFAOYSA-N 0 1 297.402 3.587 20 0 CHADMN C=C(Nc1c(C)nc2ccc(F)cn21)c1ccccc1 ZINC001210985201 1134342200 /nfs/dbraw/zinc/34/22/00/1134342200.db2.gz KOIUFOSTWHXPCA-UHFFFAOYSA-N 0 1 267.307 3.865 20 0 CHADMN CC(=Nc1ccccc1C1OCCO1)c1ccccc1 ZINC001210990226 1134343903 /nfs/dbraw/zinc/34/39/03/1134343903.db2.gz DPZFNZLCVPFEGJ-UHFFFAOYSA-N 0 1 267.328 3.815 20 0 CHADMN C=C(Nc1cccc(C(C)=O)c1O)c1ccccc1 ZINC001210989386 1134344716 /nfs/dbraw/zinc/34/47/16/1134344716.db2.gz MDQZVLYHFWDVOV-UHFFFAOYSA-N 0 1 253.301 3.678 20 0 CHADMN CC(C)(C)c1nsc(Nc2cnccc2Cl)n1 ZINC001211208491 1134391174 /nfs/dbraw/zinc/39/11/74/1134391174.db2.gz XFUWGTNLSOBCEZ-UHFFFAOYSA-N 0 1 268.773 3.628 20 0 CHADMN Cc1occc1Nc1ccncc1Oc1ccccc1 ZINC001211237669 1134396047 /nfs/dbraw/zinc/39/60/47/1134396047.db2.gz OVXKSSPYWACOJQ-UHFFFAOYSA-N 0 1 266.300 3.941 20 0 CHADMN COc1cccc(-c2ccc(Nc3cncn3C)cc2)c1 ZINC001211249636 1134398350 /nfs/dbraw/zinc/39/83/50/1134398350.db2.gz XQJRSDTZSZACIE-UHFFFAOYSA-N 0 1 279.343 3.839 20 0 CHADMN Cc1nc(-c2cccc(Nc3cncn3C)c2)cs1 ZINC001211249743 1134398607 /nfs/dbraw/zinc/39/86/07/1134398607.db2.gz ZVDPBNVYNADEAZ-UHFFFAOYSA-N 0 1 270.361 3.596 20 0 CHADMN CC(C)Oc1ccc(Nc2cncn2C)cc1C(F)(F)F ZINC001211250686 1134399763 /nfs/dbraw/zinc/39/97/63/1134399763.db2.gz MXHBKAWYPBIPIR-UHFFFAOYSA-N 0 1 299.296 3.970 20 0 CHADMN Cc1ccc(Cl)c(Cl)c1Nc1cncn1C ZINC001211253817 1134400190 /nfs/dbraw/zinc/40/01/90/1134400190.db2.gz LMSMTBMLMJGHJW-UHFFFAOYSA-N 0 1 256.136 3.779 20 0 CHADMN CSc1ccc(Nc2cncn2C)cc1Br ZINC001211252229 1134400257 /nfs/dbraw/zinc/40/02/57/1134400257.db2.gz GLRCFUPCPJDSQB-UHFFFAOYSA-N 0 1 298.209 3.648 20 0 CHADMN Cn1cncc1Nc1ccc(OC2CCCC2)c(F)c1 ZINC001211252485 1134400284 /nfs/dbraw/zinc/40/02/84/1134400284.db2.gz OUENDCAZMMTZHS-UHFFFAOYSA-N 0 1 275.327 3.624 20 0 CHADMN COc1cccc(Nc2ccnc(C(C)(C)C)c2)n1 ZINC001211298269 1134405321 /nfs/dbraw/zinc/40/53/21/1134405321.db2.gz JDKDUHWYZLRCDY-UHFFFAOYSA-N 0 1 257.337 3.526 20 0 CHADMN Cc1nc2ccc(Nc3nc(C(C)(C)C)ns3)cc2[nH]1 ZINC001213070415 1134419869 /nfs/dbraw/zinc/41/98/69/1134419869.db2.gz PDTZLVUFBOMHEF-UHFFFAOYSA-N 0 1 287.392 3.764 20 0 CHADMN Cc1nc2cc(Nc3cc(Cl)c(F)cc3N)ccc2[nH]1 ZINC001213074041 1134420886 /nfs/dbraw/zinc/42/08/86/1134420886.db2.gz ADBWFHMJTPAQKW-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN C=CC(=O)Nc1cccc(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213077295 1134422496 /nfs/dbraw/zinc/42/24/96/1134422496.db2.gz QISZGDPJWPSOTF-UHFFFAOYSA-N 0 1 292.342 3.739 20 0 CHADMN COc1c(F)cc(Nc2ccc3[nH]c(C)nc3c2)cc1F ZINC001213075621 1134422610 /nfs/dbraw/zinc/42/26/10/1134422610.db2.gz XIMLKSNVSMWSIO-UHFFFAOYSA-N 0 1 289.285 3.902 20 0 CHADMN CCc1nnc(Nc2ccnc(C(C)(C)C)c2)s1 ZINC001213160851 1134433426 /nfs/dbraw/zinc/43/34/26/1134433426.db2.gz OETABDZWCVPZDH-UHFFFAOYSA-N 0 1 262.382 3.537 20 0 CHADMN Fc1ccc(-c2noc(-c3cc(Cl)[nH]n3)n2)cc1Cl ZINC001213498529 1134455300 /nfs/dbraw/zinc/45/53/00/1134455300.db2.gz NJYXDZFELWLNIV-UHFFFAOYSA-N 0 1 299.092 3.573 20 0 CHADMN CC(C)n1ccc(CN(C)[C@@H](C)Cc2ccsc2)n1 ZINC000176444052 1134469978 /nfs/dbraw/zinc/46/99/78/1134469978.db2.gz PKMDUWYAPSQFAM-ZDUSSCGKSA-N 0 1 277.437 3.589 20 0 CHADMN CC[C@@H](C)c1ccc(NC(=O)CN2CCC[C@H](C)C2)cc1 ZINC000301493185 1134477777 /nfs/dbraw/zinc/47/77/77/1134477777.db2.gz XOFZLWWCUBTXQJ-LSDHHAIUSA-N 0 1 288.435 3.871 20 0 CHADMN CCCOc1cc(F)ccc1Nc1cc(=O)[nH]c(Cl)n1 ZINC001214079934 1134509330 /nfs/dbraw/zinc/50/93/30/1134509330.db2.gz ZUPHRURVJNKCIV-UHFFFAOYSA-N 0 1 297.717 3.507 20 0 CHADMN COCOc1ccc(C)c(Nc2cc(C)cc(C)n2)c1 ZINC001214355446 1134532617 /nfs/dbraw/zinc/53/26/17/1134532617.db2.gz ZCJXFYZZZJOACV-UHFFFAOYSA-N 0 1 272.348 3.733 20 0 CHADMN Cc1nc2ccc(F)cn2c1Nc1ccc(Cl)cc1O ZINC001214407034 1134535519 /nfs/dbraw/zinc/53/55/19/1134535519.db2.gz CBLGQBJGSOMINV-UHFFFAOYSA-N 0 1 291.713 3.884 20 0 CHADMN Cc1cc(C)nc(Nc2cc(F)c(O)c(Cl)c2)c1 ZINC001214477614 1134542280 /nfs/dbraw/zinc/54/22/80/1134542280.db2.gz YDAIWXYGYGYYAP-UHFFFAOYSA-N 0 1 266.703 3.940 20 0 CHADMN COc1c(C)ccc(F)c1Nc1noc(C(C)(C)C)n1 ZINC001214527773 1134547234 /nfs/dbraw/zinc/54/72/34/1134547234.db2.gz MXZCCLUDRRAZHQ-UHFFFAOYSA-N 0 1 279.315 3.567 20 0 CHADMN Cn1nc(C2CCC2)cc1Nc1ccc(Cl)c(O)c1F ZINC001214798690 1134574855 /nfs/dbraw/zinc/57/48/55/1134574855.db2.gz ZWPFDZLKURKPKM-UHFFFAOYSA-N 0 1 295.745 3.929 20 0 CHADMN Oc1cc(Nc2ccc(Cl)c(O)c2F)ccc1F ZINC001214802206 1134575464 /nfs/dbraw/zinc/57/54/64/1134575464.db2.gz XOCWVGONWMIYCX-UHFFFAOYSA-N 0 1 271.650 3.773 20 0 CHADMN COc1ccc(N)cc1Nc1ccc(Cl)c(O)c1F ZINC001214802252 1134575526 /nfs/dbraw/zinc/57/55/26/1134575526.db2.gz YLTMJKHNWLFIST-UHFFFAOYSA-N 0 1 282.702 3.519 20 0 CHADMN O=c1[nH]c2cc(Nc3ccc(Cl)c(O)c3F)ccc2o1 ZINC001214806744 1134576767 /nfs/dbraw/zinc/57/67/67/1134576767.db2.gz KLPSWLLEQITHBM-UHFFFAOYSA-N 0 1 294.669 3.775 20 0 CHADMN Fc1cccc(CN2CC[C@@H](C3CC3)C2)c1Br ZINC000400030694 1134577321 /nfs/dbraw/zinc/57/73/21/1134577321.db2.gz IHQSNLPVDNEYIB-LLVKDONJSA-N 0 1 298.199 3.820 20 0 CHADMN CSc1ccc(Nc2cncn2C)cc1Cl ZINC001215068155 1134596484 /nfs/dbraw/zinc/59/64/84/1134596484.db2.gz IHVKNKVHZXWLQD-UHFFFAOYSA-N 0 1 253.758 3.539 20 0 CHADMN Fc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1Cl ZINC000401540639 1134616771 /nfs/dbraw/zinc/61/67/71/1134616771.db2.gz HSZULZUCHJAOSS-LBPRGKRZSA-N 0 1 265.719 3.692 20 0 CHADMN FC(F)Oc1ccccc1N[C@@H]1CCCc2[nH]ncc21 ZINC000401560912 1134617019 /nfs/dbraw/zinc/61/70/19/1134617019.db2.gz WYJGMLNEPDGJHB-SNVBAGLBSA-N 0 1 279.290 3.501 20 0 CHADMN CC[C@H](N[C@H]1CCCc2n[nH]cc21)c1ccccc1OC ZINC000401605741 1134618275 /nfs/dbraw/zinc/61/82/75/1134618275.db2.gz IJVYEAORORTPDS-GJZGRUSLSA-N 0 1 285.391 3.537 20 0 CHADMN O=C([O-])c1sccc1Nc1ccc2c[nH+]ccc2c1 ZINC001215391750 1134622606 /nfs/dbraw/zinc/62/26/06/1134622606.db2.gz JZWPAJRFZHHHFR-UHFFFAOYSA-N 0 1 270.313 3.738 20 0 CHADMN CCc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1C ZINC000401853684 1134622779 /nfs/dbraw/zinc/62/27/79/1134622779.db2.gz MXWWKJDKXSSGCY-OAHLLOKOSA-N 0 1 255.365 3.770 20 0 CHADMN CSc1ccc(Nc2cc(=O)[nH]c(Cl)n2)c(C)c1 ZINC001215475457 1134630584 /nfs/dbraw/zinc/63/05/84/1134630584.db2.gz HNJNFLHXOADLMH-UHFFFAOYSA-N 0 1 281.768 3.610 20 0 CHADMN Cc1cc(Nc2cc3[nH]ncc3c(F)c2)c2ccccc2[nH+]1 ZINC001215551863 1134639179 /nfs/dbraw/zinc/63/91/79/1134639179.db2.gz AGXRNXSXEDDQHR-UHFFFAOYSA-N 0 1 292.317 3.724 20 0 CHADMN Cc1cnc(Cl)cc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215554198 1134639364 /nfs/dbraw/zinc/63/93/64/1134639364.db2.gz YUBNVHLOQXDBSW-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Fc1cc(Nc2cnc3c(c2)CCCC3)cc2[nH]ncc21 ZINC001215553949 1134639996 /nfs/dbraw/zinc/63/99/96/1134639996.db2.gz PIZNXQLTYVOWSV-UHFFFAOYSA-N 0 1 282.322 3.719 20 0 CHADMN Fc1cc(Nc2cc3ccccc3cn2)cc2[nH]ncc21 ZINC001215553673 1134640056 /nfs/dbraw/zinc/64/00/56/1134640056.db2.gz BDYLIPXZQUZONA-UHFFFAOYSA-N 0 1 278.290 3.994 20 0 CHADMN COc1ccc(Nc2cc3[nH]ncc3c(F)c2)cc1F ZINC001215554970 1134640579 /nfs/dbraw/zinc/64/05/79/1134640579.db2.gz NPQBXAWMILOMBV-UHFFFAOYSA-N 0 1 275.258 3.593 20 0 CHADMN COC(=O)c1ccc(Nc2cc3[nH]ncc3c(F)c2)c(C)c1 ZINC001215554789 1134641144 /nfs/dbraw/zinc/64/11/44/1134641144.db2.gz HMSIMFHYZXMOEG-UHFFFAOYSA-N 0 1 299.305 3.541 20 0 CHADMN Fc1cc(Nc2ccc(F)c(F)c2)cc2[nH]ncc21 ZINC001215555275 1134641273 /nfs/dbraw/zinc/64/12/73/1134641273.db2.gz SJSQFXJCRQASPT-UHFFFAOYSA-N 0 1 263.222 3.724 20 0 CHADMN Fc1cc(Nc2ccc3c(c2)CCC3)cc2[nH]ncc21 ZINC001215554913 1134641303 /nfs/dbraw/zinc/64/13/03/1134641303.db2.gz LDIZGLLDRMJLLX-UHFFFAOYSA-N 0 1 267.307 3.934 20 0 CHADMN Fc1cc(Nc2ccc3oncc3c2)cc2[nH]ncc21 ZINC001215557282 1134641956 /nfs/dbraw/zinc/64/19/56/1134641956.db2.gz ZVCYHPMLUURWDI-UHFFFAOYSA-N 0 1 268.251 3.587 20 0 CHADMN OCc1ccc(Cl)cc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215556922 1134642282 /nfs/dbraw/zinc/64/22/82/1134642282.db2.gz MREFRYHPTMXMTD-UHFFFAOYSA-N 0 1 291.713 3.591 20 0 CHADMN COc1cc(C)cc(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215556204 1134642511 /nfs/dbraw/zinc/64/25/11/1134642511.db2.gz XGTAOSGIEMLSKE-UHFFFAOYSA-N 0 1 271.295 3.763 20 0 CHADMN Cc1cc(Cl)nc(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215754862 1134673784 /nfs/dbraw/zinc/67/37/84/1134673784.db2.gz ACKZCTGBDILFNL-UHFFFAOYSA-N 0 1 272.739 3.972 20 0 CHADMN Cc1ccc(Nc2ncccc2N2CCCC2)c2cn[nH]c21 ZINC001215757032 1134675003 /nfs/dbraw/zinc/67/50/03/1134675003.db2.gz JBYDYKNMILOHMM-UHFFFAOYSA-N 0 1 293.374 3.610 20 0 CHADMN Cc1ccc(Nc2ccnc(Cl)c2F)c2cn[nH]c21 ZINC001215755277 1134675060 /nfs/dbraw/zinc/67/50/60/1134675060.db2.gz MNFRDHXPHNKIIN-UHFFFAOYSA-N 0 1 276.702 3.802 20 0 CHADMN Cc1ccc(Nc2ccc(N(C)C)cc2)c2cn[nH]c21 ZINC001215756966 1134675156 /nfs/dbraw/zinc/67/51/56/1134675156.db2.gz HTRQUKHZSUTESP-UHFFFAOYSA-N 0 1 266.348 3.681 20 0 CHADMN Cc1ccc(Nc2cnccc2OC(F)F)c2cn[nH]c21 ZINC001215756485 1134675193 /nfs/dbraw/zinc/67/51/93/1134675193.db2.gz RJAYBLSXGLKRPV-UHFFFAOYSA-N 0 1 290.273 3.611 20 0 CHADMN Cc1ccc(Nc2cc(F)cc(F)c2)c2cn[nH]c21 ZINC001215756970 1134675366 /nfs/dbraw/zinc/67/53/66/1134675366.db2.gz HXCYXZJCJIUQGF-UHFFFAOYSA-N 0 1 259.259 3.893 20 0 CHADMN Cc1ccc(Nc2cc(Cl)c(F)cc2N)c2cn[nH]c21 ZINC001215757380 1134675919 /nfs/dbraw/zinc/67/59/19/1134675919.db2.gz QOJJIXYUDCIOAQ-UHFFFAOYSA-N 0 1 290.729 3.990 20 0 CHADMN CCC(=O)Nc1cccc(Nc2ccc(C)c3[nH]ncc32)c1 ZINC001215757939 1134676298 /nfs/dbraw/zinc/67/62/98/1134676298.db2.gz ADAMXQSYXZFSPZ-UHFFFAOYSA-N 0 1 294.358 3.963 20 0 CHADMN CCc1nccc(C)c1Nc1ccc(C)c2[nH]ncc21 ZINC001215757751 1134676379 /nfs/dbraw/zinc/67/63/79/1134676379.db2.gz ZHYNQOKZNBKAHK-UHFFFAOYSA-N 0 1 266.348 3.881 20 0 CHADMN Cc1ccc(Nc2ccccc2P(C)(C)=O)c2cn[nH]c21 ZINC001215758318 1134676478 /nfs/dbraw/zinc/67/64/78/1134676478.db2.gz PKAUJPBYGQNDPE-UHFFFAOYSA-N 0 1 299.314 3.863 20 0 CHADMN CC(=O)c1c(F)cccc1Nc1ccc(C)c2[nH]ncc21 ZINC001215759690 1134677374 /nfs/dbraw/zinc/67/73/74/1134677374.db2.gz QCWFYDZEVLERJK-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN CC(=O)c1ccc(Nc2ccc(C)c3[nH]ncc32)c(F)c1 ZINC001215759851 1134677435 /nfs/dbraw/zinc/67/74/35/1134677435.db2.gz ZATLQGBUAQLIOU-UHFFFAOYSA-N 0 1 283.306 3.957 20 0 CHADMN Nc1cncn1-c1ccc(OCc2ccccc2)cc1Cl ZINC001215760714 1134678873 /nfs/dbraw/zinc/67/88/73/1134678873.db2.gz WYKROYCSXRYSHA-UHFFFAOYSA-N 0 1 299.761 3.687 20 0 CHADMN Cc1cccc2ncc(Nc3ccnc(OC(C)C)c3)n21 ZINC001215767068 1134680181 /nfs/dbraw/zinc/68/01/81/1134680181.db2.gz SIBMYBDCMAEDHU-UHFFFAOYSA-N 0 1 282.347 3.569 20 0 CHADMN CSc1cc(F)c(Nc2nc(C)ns2)c(F)c1 ZINC001215841134 1134700150 /nfs/dbraw/zinc/70/01/50/1134700150.db2.gz NBXMKONCOIFCHN-UHFFFAOYSA-N 0 1 273.333 3.590 20 0 CHADMN Clc1cc2[nH]ncc2c(Nc2ccc3c(c2)OCO3)c1 ZINC001215859846 1134705587 /nfs/dbraw/zinc/70/55/87/1134705587.db2.gz VIGDZIVTHCRSNX-UHFFFAOYSA-N 0 1 287.706 3.689 20 0 CHADMN CSc1ncc(Cl)cc1Nc1ccc2nccn2c1 ZINC001215914292 1134717482 /nfs/dbraw/zinc/71/74/82/1134717482.db2.gz DYBJDHQGAUORCP-UHFFFAOYSA-N 0 1 290.779 3.848 20 0 CHADMN COc1ccc([C@H](C)NCC=C(Cl)Cl)cc1 ZINC000403359252 1134761976 /nfs/dbraw/zinc/76/19/76/1134761976.db2.gz MJBUTBHPCLRLDC-VIFPVBQESA-N 0 1 260.164 3.665 20 0 CHADMN COc1cc(Nc2cc(C)c(O)c(Cl)c2)ncc1C ZINC001216087886 1134773461 /nfs/dbraw/zinc/77/34/61/1134773461.db2.gz XXUXTQUZFYWMQK-UHFFFAOYSA-N 0 1 278.739 3.810 20 0 CHADMN CN(C)Cc1cccc(Nc2cc(F)c(F)cc2O)c1F ZINC001216231310 1134814844 /nfs/dbraw/zinc/81/48/44/1134814844.db2.gz FWUVICTTWLBRDG-UHFFFAOYSA-N 0 1 296.292 3.615 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc(Cl)cc2O)c1F ZINC001216231620 1134814858 /nfs/dbraw/zinc/81/48/58/1134814858.db2.gz MOZNNGPGPHRKNG-UHFFFAOYSA-N 0 1 294.757 3.990 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc3cn(C)nc3c2)c1F ZINC001216231111 1134815273 /nfs/dbraw/zinc/81/52/73/1134815273.db2.gz RXAKNAKGLPKGRY-UHFFFAOYSA-N 0 1 298.365 3.518 20 0 CHADMN CN(C)Cc1cccc(Nc2ccc(F)c(F)c2)c1F ZINC001216231316 1134815351 /nfs/dbraw/zinc/81/53/51/1134815351.db2.gz XRJYMDNVLCAZTN-UHFFFAOYSA-N 0 1 280.293 3.909 20 0 CHADMN Cc1cc(Nc2cncn2C)c(OC(C)C)cc1C ZINC001216380518 1134875193 /nfs/dbraw/zinc/87/51/93/1134875193.db2.gz WCBFZHUWDLJFBV-UHFFFAOYSA-N 0 1 259.353 3.568 20 0 CHADMN Cc1ncn(C)c1Nc1ccc(C(C)C)nc1Cl ZINC001216445251 1134899457 /nfs/dbraw/zinc/89/94/57/1134899457.db2.gz DTXIZUYXVBAAQC-UHFFFAOYSA-N 0 1 264.760 3.644 20 0 CHADMN CC(=O)c1cccc(Nc2ccccc2CN(C)C)c1F ZINC001216501240 1134910903 /nfs/dbraw/zinc/91/09/03/1134910903.db2.gz GSOWUWHKLPRXRJ-UHFFFAOYSA-N 0 1 286.350 3.834 20 0 CHADMN Cc1cnc(Nc2cncn2Cc2ccccc2)c(C)c1 ZINC001216549470 1134917847 /nfs/dbraw/zinc/91/78/47/1134917847.db2.gz IVYNJJHEIGLWNJ-UHFFFAOYSA-N 0 1 278.359 3.687 20 0 CHADMN COc1ccc(C)cc1Nc1cncn1Cc1ccccc1 ZINC001216552664 1134918607 /nfs/dbraw/zinc/91/86/07/1134918607.db2.gz WVCYWPHBPRIATQ-UHFFFAOYSA-N 0 1 293.370 3.992 20 0 CHADMN COc1cccc(C)c1Nc1cncn1Cc1ccccc1 ZINC001216554000 1134919495 /nfs/dbraw/zinc/91/94/95/1134919495.db2.gz SQTUNFSWIOVDEK-UHFFFAOYSA-N 0 1 293.370 3.992 20 0 CHADMN Fc1ccccc1COc1ccc(Nc2ccncc2)cc1 ZINC001216655112 1134940774 /nfs/dbraw/zinc/94/07/74/1134940774.db2.gz ULRBXZHWMWFSEE-UHFFFAOYSA-N 0 1 294.329 3.965 20 0 CHADMN CCc1cccc(-c2noc(-c3cnc4[nH]cccc3-4)n2)c1 ZINC001217145741 1134965239 /nfs/dbraw/zinc/96/52/39/1134965239.db2.gz VGJNZGOTIGMOOT-UHFFFAOYSA-N 0 1 290.326 3.842 20 0 CHADMN Cc1nc2cc(-c3nc(-c4cccc(F)c4)no3)ccc2[nH]1 ZINC001217244619 1134969080 /nfs/dbraw/zinc/96/90/80/1134969080.db2.gz IIICYVMCRJCOKL-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN Cc1nc2cc(-c3nc(-c4cccc(C)c4)no3)ccc2[nH]1 ZINC001217244939 1134969209 /nfs/dbraw/zinc/96/92/09/1134969209.db2.gz VOWIVILLTPZKKS-UHFFFAOYSA-N 0 1 290.326 3.897 20 0 CHADMN Clc1c[nH]c2nc(-c3nc(-c4ccccc4)no3)cc-2c1 ZINC001217293034 1134971758 /nfs/dbraw/zinc/97/17/58/1134971758.db2.gz UDDBTMKOFXSGGH-UHFFFAOYSA-N 0 1 296.717 3.933 20 0 CHADMN Cc1ccc(F)c(-c2noc(-c3cnc4ccc[nH]c3-4)n2)c1 ZINC001217398512 1134975329 /nfs/dbraw/zinc/97/53/29/1134975329.db2.gz GGPOHDCPJODKHG-UHFFFAOYSA-N 0 1 294.289 3.727 20 0 CHADMN CCC(C)(C)OCCNCc1cc(Cl)ccc1F ZINC000308759587 1134979015 /nfs/dbraw/zinc/97/90/15/1134979015.db2.gz XLGMUTPAPVYYOO-UHFFFAOYSA-N 0 1 273.779 3.774 20 0 CHADMN Cc1cccc(-c2noc(-c3ccc4occc4c3O)n2)n1 ZINC001217513563 1134981714 /nfs/dbraw/zinc/98/17/14/1134981714.db2.gz AXKBWOPVHCUMJA-UHFFFAOYSA-N 0 1 293.282 3.559 20 0 CHADMN c1ccc(Oc2ccc(-c3nnc([C@@H]4CCN4)o3)cc2)cc1 ZINC001217695690 1134987628 /nfs/dbraw/zinc/98/76/28/1134987628.db2.gz VUKOBBBGGVFPQU-HNNXBMFYSA-N 0 1 293.326 3.563 20 0 CHADMN CCCCCCc1nnc([C@H](Cc2ccccc2)NC)o1 ZINC001217703530 1134989258 /nfs/dbraw/zinc/98/92/58/1134989258.db2.gz NOWDLVHTKSBYRU-HNNXBMFYSA-N 0 1 287.407 3.696 20 0 CHADMN CCCCCC[C@H](CCCC)Oc1cnc(CN)nc1 ZINC001218354309 1135091986 /nfs/dbraw/zinc/09/19/86/1135091986.db2.gz FGQLQZHFVKNTMB-AWEZNQCLSA-N 0 1 279.428 3.843 20 0 CHADMN CCCCCC[C@@H](CCCC)Oc1cnc(CN)nc1 ZINC001218354315 1135092238 /nfs/dbraw/zinc/09/22/38/1135092238.db2.gz FGQLQZHFVKNTMB-CQSZACIVSA-N 0 1 279.428 3.843 20 0 CHADMN O=C(Nc1ccsc1)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001218534946 1135117637 /nfs/dbraw/zinc/11/76/37/1135117637.db2.gz FQKNIEBGOXLXHX-LSDHHAIUSA-N 0 1 286.400 3.570 20 0 CHADMN Cc1csc(NC(=O)[C@@H](N)c2ccc3ccccc3c2)c1 ZINC001218622068 1135118876 /nfs/dbraw/zinc/11/88/76/1135118876.db2.gz VBIXRBNXCAFGIG-INIZCTEOSA-N 0 1 296.395 3.848 20 0 CHADMN CO[C@H]1C[C@H](NCc2cc(Cl)sc2Cl)C1(C)C ZINC000312594994 1135134275 /nfs/dbraw/zinc/13/42/75/1135134275.db2.gz DGGINEODFRTBPC-IUCAKERBSA-N 0 1 294.247 3.958 20 0 CHADMN CC(C)(C)C1CCN(Cc2c(F)ccc(N)c2F)CC1 ZINC000312639773 1135134601 /nfs/dbraw/zinc/13/46/01/1135134601.db2.gz IFDGUEFWXUDSMW-UHFFFAOYSA-N 0 1 282.378 3.805 20 0 CHADMN Cc1ncc(CN2CC=C(c3ccccc3)CC2)s1 ZINC000193473953 1135151661 /nfs/dbraw/zinc/15/16/61/1135151661.db2.gz XVGPMIMGJYCHDD-UHFFFAOYSA-N 0 1 270.401 3.741 20 0 CHADMN C[C@H](NC[C@@H]1CCC=CO1)c1nc(C(C)(C)C)cs1 ZINC000194408435 1135162897 /nfs/dbraw/zinc/16/28/97/1135162897.db2.gz GWMRCPUDGZUWSE-RYUDHWBXSA-N 0 1 280.437 3.784 20 0 CHADMN CC[C@H]1CCCCN1Cc1cccc(O)c1Br ZINC000316036325 1135163431 /nfs/dbraw/zinc/16/34/31/1135163431.db2.gz HTVBZCYUPQLYSM-LBPRGKRZSA-N 0 1 298.224 3.919 20 0 CHADMN CSc1ccccc1[C@@H](C)N[C@H]1c2ccccc2C[C@@H]1O ZINC000194911321 1135166326 /nfs/dbraw/zinc/16/63/26/1135166326.db2.gz YCEZFWRONDIXJL-PUECVXPYSA-N 0 1 299.439 3.717 20 0 CHADMN CSc1ncc(C)cc1-c1cc(F)c(O)cc1F ZINC001222082826 1135190453 /nfs/dbraw/zinc/19/04/53/1135190453.db2.gz ISXCJEXRFCMWNX-UHFFFAOYSA-N 0 1 267.300 3.763 20 0 CHADMN C[N@H+]1CC[C@@H](c2ccc(-c3cc(F)c(O)cc3F)cc2)C1 ZINC001222086111 1135190764 /nfs/dbraw/zinc/19/07/64/1135190764.db2.gz HJYURCIAWDNABQ-CYBMUJFWSA-N 0 1 289.325 3.757 20 0 CHADMN C[N@@H+]1CC[C@@H](c2ccc(-c3cc(F)c([O-])cc3F)cc2)C1 ZINC001222086111 1135190769 /nfs/dbraw/zinc/19/07/69/1135190769.db2.gz HJYURCIAWDNABQ-CYBMUJFWSA-N 0 1 289.325 3.757 20 0 CHADMN C[N@H+]1CC[C@@H](c2ccc(-c3cc(F)c([O-])cc3F)cc2)C1 ZINC001222086111 1135190773 /nfs/dbraw/zinc/19/07/73/1135190773.db2.gz HJYURCIAWDNABQ-CYBMUJFWSA-N 0 1 289.325 3.757 20 0 CHADMN CCOc1ccc(-c2cc(N3CCCCC3)ccn2)c(C)n1 ZINC001222096928 1135192120 /nfs/dbraw/zinc/19/21/20/1135192120.db2.gz PAPAWYKBVKCXLB-UHFFFAOYSA-N 0 1 297.402 3.841 20 0 CHADMN c1ncc(CO[C@H](COc2ccccc2)c2ccccc2)[nH]1 ZINC001222999404 1135293213 /nfs/dbraw/zinc/29/32/13/1135293213.db2.gz AOOQZHFSMKINAI-GOSISDBHSA-N 0 1 294.354 3.747 20 0 CHADMN C[C@@H](OCc1cnc[nH]1)c1cc(Cl)ccc1Cl ZINC001223008380 1135294490 /nfs/dbraw/zinc/29/44/90/1135294490.db2.gz XUXOTRIHVFCFNO-MRVPVSSYSA-N 0 1 271.147 3.994 20 0 CHADMN CC(C)(C)CCO[C@H]1CCN2Cc3ccccc3N=C12 ZINC001224725605 1135474944 /nfs/dbraw/zinc/47/49/44/1135474944.db2.gz SWVLIGKCUKFPTH-HNNXBMFYSA-N 0 1 272.392 3.757 20 0 CHADMN C[C@@H](CCOC1CCN(CCF)CC1)c1ccccc1 ZINC001224995791 1135500168 /nfs/dbraw/zinc/50/01/68/1135500168.db2.gz XDEUXQJSMSJDKA-HNNXBMFYSA-N 0 1 279.399 3.631 20 0 CHADMN Cc1ccc(Cl)c(O[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC001225204734 1135512970 /nfs/dbraw/zinc/51/29/70/1135512970.db2.gz VOLHPEWLABJCGV-LBPRGKRZSA-N 0 1 253.773 3.510 20 0 CHADMN CC(C)[N@H+]1CC[C@H](Oc2cccc(Cl)c2Cl)C1 ZINC001225207381 1135514295 /nfs/dbraw/zinc/51/42/95/1135514295.db2.gz PWKXTKDFRNYDCJ-JTQLQIEISA-N 0 1 274.191 3.855 20 0 CHADMN Cc1ccccc1[C@@H](C)Oc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC001225981028 1135647858 /nfs/dbraw/zinc/64/78/58/1135647858.db2.gz VLCFTINPMBSMKM-SECBINFHSA-N 0 1 298.264 3.649 20 0 CHADMN CCC[C@H](Oc1cccc2[nH]nnc21)c1ccc(OC)cc1 ZINC001225991649 1135649559 /nfs/dbraw/zinc/64/95/59/1135649559.db2.gz FPWKLGXMZDFYTO-HNNXBMFYSA-N 0 1 297.358 3.887 20 0 CHADMN C[C@@H](Oc1cccc2[nH]nnc21)c1ccccc1Cl ZINC001225998672 1135650393 /nfs/dbraw/zinc/65/03/93/1135650393.db2.gz YHBBMWUSAGKELV-SECBINFHSA-N 0 1 273.723 3.751 20 0 CHADMN COc1ccc([C@H](Oc2n[nH]c3ncccc23)C(C)C)cc1 ZINC001226301740 1135682078 /nfs/dbraw/zinc/68/20/78/1135682078.db2.gz DDPLPZXFDCOIAJ-OAHLLOKOSA-N 0 1 297.358 3.743 20 0 CHADMN Cc1ccc(OC(C)C)c(COc2n[nH]c3ncccc23)c1 ZINC001226303857 1135682865 /nfs/dbraw/zinc/68/28/65/1135682865.db2.gz XRZNSFBUVQJOMF-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN C[C@@H](Oc1n[nH]c2ncccc12)c1csc(Cl)c1 ZINC001226302947 1135682898 /nfs/dbraw/zinc/68/28/98/1135682898.db2.gz PYYXARLENJARRM-SSDOTTSWSA-N 0 1 279.752 3.813 20 0 CHADMN Cc1ccccc1[C@H](Oc1nccc(=O)[nH]1)c1ccccc1 ZINC001226324139 1135684084 /nfs/dbraw/zinc/68/40/84/1135684084.db2.gz IPIYBKRCNXQIMZ-QGZVFWFLSA-N 0 1 292.338 3.659 20 0 CHADMN CCN1CCC[C@H](Oc2c(C)cccc2Cl)C1 ZINC001226388774 1135690824 /nfs/dbraw/zinc/69/08/24/1135690824.db2.gz PHIDRNGNKHYXII-LBPRGKRZSA-N 0 1 253.773 3.512 20 0 CHADMN Cc1ccccc1[C@H](C)Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001226407910 1135693693 /nfs/dbraw/zinc/69/36/93/1135693693.db2.gz ATKONDGCTBKELQ-NSHDSACASA-N 0 1 298.317 3.923 20 0 CHADMN C[C@H]1CCCC[C@@H]1Oc1cc(N)nc2ccccc21 ZINC001226420410 1135694788 /nfs/dbraw/zinc/69/47/88/1135694788.db2.gz ZVJOCNDJXSJYMF-FZMZJTMJSA-N 0 1 256.349 3.775 20 0 CHADMN Cc1ccc2nc(O[C@H](C(C)C)C(F)(F)F)[nH]c2c1 ZINC001226506624 1135704714 /nfs/dbraw/zinc/70/47/14/1135704714.db2.gz PVPGVZKFBREIKJ-LLVKDONJSA-N 0 1 272.270 3.837 20 0 CHADMN Cc1ccc2nc(OCc3ccc(OC(C)C)nc3)[nH]c2c1 ZINC001226508982 1135705608 /nfs/dbraw/zinc/70/56/08/1135705608.db2.gz RAPVYLCQYVGMAZ-UHFFFAOYSA-N 0 1 297.358 3.633 20 0 CHADMN C[C@@H](Cc1ccccc1)Oc1nc2ccc(F)cc2[nH]1 ZINC001226701388 1135730502 /nfs/dbraw/zinc/73/05/02/1135730502.db2.gz PEFNNXAWMBYGMP-NSHDSACASA-N 0 1 270.307 3.712 20 0 CHADMN C[C@H](Oc1nc2ccc(F)cc2[nH]1)c1cccc(F)c1 ZINC001226701664 1135731249 /nfs/dbraw/zinc/73/12/49/1135731249.db2.gz UBZWQUMUTDGEMZ-VIFPVBQESA-N 0 1 274.270 3.981 20 0 CHADMN Cc1ccc([C@@H](C)Oc2nc3ccc(F)cc3[nH]2)cn1 ZINC001226701872 1135731446 /nfs/dbraw/zinc/73/14/46/1135731446.db2.gz XXFXFBZRIHILHM-SNVBAGLBSA-N 0 1 271.295 3.545 20 0 CHADMN C[C@@H](Oc1ccc2nc[nH]c2c1)c1cccc(N(C)C)c1 ZINC001226928754 1135761593 /nfs/dbraw/zinc/76/15/93/1135761593.db2.gz QNBVCRPAGRKENT-GFCCVEGCSA-N 0 1 281.359 3.769 20 0 CHADMN Cc1cccc2nc(O[C@@H](C)COCc3ccccc3)[nH]c21 ZINC001227268114 1135813822 /nfs/dbraw/zinc/81/38/22/1135813822.db2.gz MKVJFHJQRSIWOE-AWEZNQCLSA-N 0 1 296.370 3.855 20 0 CHADMN Cc1cccc2nc(O[C@@H](c3cccnc3)C3CC3)[nH]c21 ZINC001227267802 1135814599 /nfs/dbraw/zinc/81/45/99/1135814599.db2.gz HZGTXJLIPJFLBU-MRXNPFEDSA-N 0 1 279.343 3.796 20 0 CHADMN c1snnc1CNCC1CCC(c2ccccc2)CC1 ZINC001330620511 1135848655 /nfs/dbraw/zinc/84/86/55/1135848655.db2.gz DRWXAXQEMQPSDU-UHFFFAOYSA-N 0 1 287.432 3.602 20 0 CHADMN CCCC[C@@H](Oc1[nH]c(=S)nnc1C)c1ccccc1 ZINC001227597826 1135848767 /nfs/dbraw/zinc/84/87/67/1135848767.db2.gz DENSRPNQDZCQJK-CYBMUJFWSA-N 0 1 289.404 3.779 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1csc(COC)n1)C1CC1 ZINC000353310502 529391610 /nfs/dbraw/zinc/39/16/10/529391610.db2.gz RZMAHPJEPFQXRA-VXGBXAGGSA-N 0 1 282.453 3.689 20 0 CHADMN CCc1cc(C(=O)Nc2c(C)n[nH]c2C(F)F)oc1CC ZINC000353548065 529520408 /nfs/dbraw/zinc/52/04/08/529520408.db2.gz UXJMPBDQCUVOLY-UHFFFAOYSA-N 0 1 297.305 3.626 20 0 CHADMN CC[C@H](NCc1ccc2ccccc2n1)c1ccncc1 ZINC000344583674 529630281 /nfs/dbraw/zinc/63/02/81/529630281.db2.gz MLQXJXRXEOMEAU-KRWDZBQOSA-N 0 1 277.371 3.871 20 0 CHADMN CCc1ccc(CNC2(c3ccc(F)cc3)CC2)cn1 ZINC000352748029 529650810 /nfs/dbraw/zinc/65/08/10/529650810.db2.gz GRVLSFUUFZOQLE-UHFFFAOYSA-N 0 1 270.351 3.562 20 0 CHADMN CCc1ccc(CNCc2ccccc2OC(F)F)cn1 ZINC000352251903 529653613 /nfs/dbraw/zinc/65/36/13/529653613.db2.gz UZSDLHIMDLFYIX-UHFFFAOYSA-N 0 1 292.329 3.535 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2ccc(F)c(F)c2)cn1 ZINC000352247202 529654237 /nfs/dbraw/zinc/65/42/37/529654237.db2.gz WUWYBOZXXWCLSQ-NSHDSACASA-N 0 1 276.330 3.773 20 0 CHADMN CC[C@H](N[C@@H](c1nccn1C)C1CC1)c1ccc(C)cc1 ZINC000353886841 529654930 /nfs/dbraw/zinc/65/49/30/529654930.db2.gz WGFFFKBTZUVNBH-DLBZAZTESA-N 0 1 283.419 3.921 20 0 CHADMN CCc1ccc(CN(C)Cc2ccc(C)cc2)cn1 ZINC000347650322 529634723 /nfs/dbraw/zinc/63/47/23/529634723.db2.gz JTCWYUHTVMDHMV-UHFFFAOYSA-N 0 1 254.377 3.584 20 0 CHADMN CCc1ccc(CN(CC)[C@H](C)c2cccc(O)c2)cn1 ZINC000347613572 529636982 /nfs/dbraw/zinc/63/69/82/529636982.db2.gz OTCPRYGQCWPSOG-CQSZACIVSA-N 0 1 284.403 3.933 20 0 CHADMN CCc1ccc(CN(Cc2ccccc2)C2CC2)cn1 ZINC000347633926 529638505 /nfs/dbraw/zinc/63/85/05/529638505.db2.gz DVCWBUQEFCKLLG-UHFFFAOYSA-N 0 1 266.388 3.809 20 0 CHADMN CCc1nc(CNCC[C@@H](OC)C(CC)CC)cs1 ZINC000344829064 529739969 /nfs/dbraw/zinc/73/99/69/529739969.db2.gz QFNQAVJQOUUDCD-CQSZACIVSA-N 0 1 284.469 3.636 20 0 CHADMN CCc1ncc(CN2Cc3ccccc3C[C@@H]2C)s1 ZINC000353644355 529754735 /nfs/dbraw/zinc/75/47/35/529754735.db2.gz DRVQBLMNGYFIGB-LBPRGKRZSA-N 0 1 272.417 3.652 20 0 CHADMN CN(Cc1cc2cc(F)ccc2o1)Cc1cccnc1 ZINC000350458529 529980704 /nfs/dbraw/zinc/98/07/04/529980704.db2.gz JXWKAFQXMBUJKH-UHFFFAOYSA-N 0 1 270.307 3.599 20 0 CHADMN CN(Cc1ccncc1Cl)C1CCC(F)(F)CC1 ZINC000334987303 530011149 /nfs/dbraw/zinc/01/11/49/530011149.db2.gz FPWJKTKAAIPVRJ-UHFFFAOYSA-N 0 1 274.742 3.745 20 0 CHADMN CN(Cc1csc(Cl)c1Cl)[C@H]1CC[C@H](O)CC1 ZINC000334660530 530019384 /nfs/dbraw/zinc/01/93/84/530019384.db2.gz CPTJVNXPQKRWSY-MGCOHNPYSA-N 0 1 294.247 3.790 20 0 CHADMN CC[C@H](F)CN[C@@H](C)c1ccccc1OC(C)C ZINC000573766210 334964673 /nfs/dbraw/zinc/96/46/73/334964673.db2.gz RZJARRVPXAVLGD-STQMWFEESA-N 0 1 253.361 3.873 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000573862777 334973176 /nfs/dbraw/zinc/97/31/76/334973176.db2.gz TUVRGPGKUJUWTC-CHWSQXEVSA-N 0 1 281.359 3.943 20 0 CHADMN C[C@H](NCc1ccc(OC(F)F)c(F)c1)c1ccoc1 ZINC000168619026 334985298 /nfs/dbraw/zinc/98/52/98/334985298.db2.gz VEZBCVWDSFYEBM-VIFPVBQESA-N 0 1 285.265 3.871 20 0 CHADMN Cc1noc([C@H](C)N[C@@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000574252936 335003968 /nfs/dbraw/zinc/00/39/68/335003968.db2.gz ODRFCEUJCDTKFB-VBNZEHGJSA-N 0 1 285.391 3.755 20 0 CHADMN C[C@@H](Sc1c[nH]nn1)c1ccc(C(F)(F)F)cc1 ZINC000155873088 261109423 /nfs/dbraw/zinc/10/94/23/261109423.db2.gz XLRQUQWAQISJSW-SSDOTTSWSA-N 0 1 273.283 3.677 20 0 CHADMN CCc1ccc(CN[C@@H](C)c2cncs2)s1 ZINC000156285895 261119041 /nfs/dbraw/zinc/11/90/41/261119041.db2.gz CZFDEEFEJVSGOG-VIFPVBQESA-N 0 1 252.408 3.618 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000574279575 335006533 /nfs/dbraw/zinc/00/65/33/335006533.db2.gz LSEPSTKLXWTIJO-YVEFUNNKSA-N 0 1 297.402 3.675 20 0 CHADMN COc1cc(Cl)ccc1CN1CCCO[C@@H](C(C)C)C1 ZINC000574342707 335012662 /nfs/dbraw/zinc/01/26/62/335012662.db2.gz BGCBFCLCWVESQV-MRXNPFEDSA-N 0 1 297.826 3.596 20 0 CHADMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1[C@@H](C(=O)[O-])c1ccccc1 ZINC000574406951 335017231 /nfs/dbraw/zinc/01/72/31/335017231.db2.gz ZQZYUGZCZDSPCH-FHLIZLRMSA-N 0 1 295.382 3.690 20 0 CHADMN CCN(Cc1cccc(F)c1)Cc1ccc2c(n1)CCC2 ZINC000574498306 335023907 /nfs/dbraw/zinc/02/39/07/335023907.db2.gz KNVKZQYSDQTWSW-UHFFFAOYSA-N 0 1 284.378 3.732 20 0 CHADMN Fc1cccc(CNCc2ccc3c(c2)CCCN3)c1F ZINC000574663313 335038152 /nfs/dbraw/zinc/03/81/52/335038152.db2.gz DEZCZFIDZOTKJY-UHFFFAOYSA-N 0 1 288.341 3.613 20 0 CHADMN COc1cc(CN(C)Cc2cccc(O)c2)ccc1Cl ZINC000574758995 335045379 /nfs/dbraw/zinc/04/53/79/335045379.db2.gz IEEGMQUGLOOVJP-UHFFFAOYSA-N 0 1 291.778 3.686 20 0 CHADMN C[C@@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)C[C@@]1(C)C(=O)[O-] ZINC000574764126 335045891 /nfs/dbraw/zinc/04/58/91/335045891.db2.gz SGGIPZOWLXZTEB-SEVFCGSRSA-N 0 1 295.467 3.882 20 0 CHADMN Nc1nc2ccccc2n1-c1ccc(C(F)(F)F)cc1 ZINC000020586198 184535813 /nfs/dbraw/zinc/53/58/13/184535813.db2.gz BRWKSJBNAPXREO-UHFFFAOYSA-N 0 1 277.249 3.627 20 0 CHADMN CO[C@H](C)CN(Cc1cc(-c2cccs2)on1)C(C)C ZINC000354463336 533081371 /nfs/dbraw/zinc/08/13/71/533081371.db2.gz SGANWVGXJKBGFO-GFCCVEGCSA-N 0 1 294.420 3.648 20 0 CHADMN Cc1cc(C)cc([C@H]2CC[N@@H+](Cc3ccoc3C(=O)[O-])C2)c1 ZINC000574816312 335049913 /nfs/dbraw/zinc/04/99/13/335049913.db2.gz JHULJMZJSWNRDQ-AWEZNQCLSA-N 0 1 299.370 3.584 20 0 CHADMN CC(C)[N@@H+](Cc1nc(C(C)(C)C)no1)C1CCCCC1 ZINC000171139421 335056498 /nfs/dbraw/zinc/05/64/98/335056498.db2.gz UYBWHPCYEVRUFP-UHFFFAOYSA-N 0 1 279.428 3.910 20 0 CHADMN CC(C)N(Cc1nc(C(C)(C)C)no1)C1CCCCC1 ZINC000171139421 335056499 /nfs/dbraw/zinc/05/64/99/335056499.db2.gz UYBWHPCYEVRUFP-UHFFFAOYSA-N 0 1 279.428 3.910 20 0 CHADMN Cc1ncsc1CCN(C)[C@H](C)c1cc(F)ccc1F ZINC000172527734 260015082 /nfs/dbraw/zinc/01/50/82/260015082.db2.gz XTRZEUMRKIXOMO-LLVKDONJSA-N 0 1 296.386 3.965 20 0 CHADMN CCc1ccc(CN2CCC[C@H](C(F)(F)F)C2)o1 ZINC000179621364 260058581 /nfs/dbraw/zinc/05/85/81/260058581.db2.gz IMTBLOMPLQRUKO-JTQLQIEISA-N 0 1 261.287 3.616 20 0 CHADMN CCc1ccc(CN2CCC[C@@H]2c2cccn2C)o1 ZINC000179706752 260063710 /nfs/dbraw/zinc/06/37/10/260063710.db2.gz JWCDDYMRTPIDAY-MRXNPFEDSA-N 0 1 258.365 3.518 20 0 CHADMN FC1(F)CC(CN2CC[C@@](F)(c3ccccc3)C2)C1 ZINC000575085039 335063589 /nfs/dbraw/zinc/06/35/89/335063589.db2.gz IJAIWUWHNVGGLT-AWEZNQCLSA-N 0 1 269.310 3.602 20 0 CHADMN COc1ccc2c(c1OC)CCN(Cc1ccc(C)cc1)C2 ZINC000354902809 533320597 /nfs/dbraw/zinc/32/05/97/533320597.db2.gz FUGSXMAQYDBUBO-UHFFFAOYSA-N 0 1 297.398 3.571 20 0 CHADMN C[C@@H](NC1(c2ccc(F)cc2)CC1)c1ccncc1 ZINC000346795938 533330940 /nfs/dbraw/zinc/33/09/40/533330940.db2.gz MSSRCBMYCOFZNA-GFCCVEGCSA-N 0 1 256.324 3.561 20 0 CHADMN C[C@@H](N[C@@H]1CCCc2c(F)cccc21)c1ccccn1 ZINC000336213405 533523916 /nfs/dbraw/zinc/52/39/16/533523916.db2.gz RCSSYSSFHLZLFU-SJKOYZFVSA-N 0 1 270.351 3.949 20 0 CHADMN COc1cccc(CN[C@H](c2ccc(F)cn2)C(C)C)c1 ZINC000353345932 533517084 /nfs/dbraw/zinc/51/70/84/533517084.db2.gz MBFNPMHMFNMGLD-KRWDZBQOSA-N 0 1 288.366 3.716 20 0 CHADMN COc1ccc(CN(C)Cc2ccoc2C)c(C)c1OC ZINC000347846113 533543931 /nfs/dbraw/zinc/54/39/31/533543931.db2.gz JMZLQTKNJYGSEZ-UHFFFAOYSA-N 0 1 289.375 3.546 20 0 CHADMN COc1ccc(CN(Cc2cccc(C)n2)C2CC2)cc1 ZINC000347366052 533550371 /nfs/dbraw/zinc/55/03/71/533550371.db2.gz OHRZSEUSBWBTGM-UHFFFAOYSA-N 0 1 282.387 3.563 20 0 CHADMN Cc1nccc(N[C@@H]2CCOc3ccc(F)cc32)c1Cl ZINC000352845108 533640080 /nfs/dbraw/zinc/64/00/80/533640080.db2.gz FDAZFHLOWZCECZ-GFCCVEGCSA-N 0 1 292.741 3.540 20 0 CHADMN CCCN(Cc1nccn1CC)[C@H]1CCc2ccccc21 ZINC000341835058 130066091 /nfs/dbraw/zinc/06/60/91/130066091.db2.gz JMXVUWHSKWXGCZ-KRWDZBQOSA-N 0 1 283.419 3.803 20 0 CHADMN Fc1cccc2c1CN(Cc1cccc3cc[nH]c31)CC2 ZINC000353670539 130072301 /nfs/dbraw/zinc/07/23/01/130072301.db2.gz LUOXEXGIWMLDIU-UHFFFAOYSA-N 0 1 280.346 3.865 20 0 CHADMN C[C@H](NCCCCCF)c1nc(C2CCCCC2)no1 ZINC000341911351 130124143 /nfs/dbraw/zinc/12/41/43/130124143.db2.gz NKKZTVJPGUJYNF-LBPRGKRZSA-N 0 1 283.391 3.908 20 0 CHADMN COc1ccc(CN[C@H](C)c2ccc(C)o2)c(C)c1OC ZINC000342082485 130243326 /nfs/dbraw/zinc/24/33/26/130243326.db2.gz JWTCRJOFWCQSCI-CYBMUJFWSA-N 0 1 289.375 3.764 20 0 CHADMN Cc1[nH]nc2cc(NC(=O)C[C@H]3CCC[C@@H]3C)ccc12 ZINC000347546312 533672259 /nfs/dbraw/zinc/67/22/59/533672259.db2.gz NCLNEXKGAOKBPO-CMPLNLGQSA-N 0 1 271.364 3.636 20 0 CHADMN CCc1cccc(C)c1NC(=O)CN1[C@@H](C)CCC[C@@H]1C ZINC000009997647 170393947 /nfs/dbraw/zinc/39/39/47/170393947.db2.gz BLJXORDHZUNQCK-GJZGRUSLSA-N 0 1 288.435 3.759 20 0 CHADMN C[C@H]1CCC[C@H](C)N1CC(=O)Nc1cccc(Cl)c1 ZINC000009997651 170394436 /nfs/dbraw/zinc/39/44/36/170394436.db2.gz DUWANWSAPAQDDM-RYUDHWBXSA-N 0 1 280.799 3.541 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccccn1)c1ccc(OC)cc1 ZINC000020123571 171004987 /nfs/dbraw/zinc/00/49/87/171004987.db2.gz YZMPROWKKMCWQU-XJKSGUPXSA-N 0 1 270.376 3.892 20 0 CHADMN C[C@H](N[C@@H](C)c1ccccn1)c1ccc2c(c1)CCC2 ZINC000020123932 171005495 /nfs/dbraw/zinc/00/54/95/171005495.db2.gz ROHCLXFSWMZTJR-KBPBESRZSA-N 0 1 266.388 3.982 20 0 CHADMN C[C@H](NCc1cnn(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000020126075 171009409 /nfs/dbraw/zinc/00/94/09/171009409.db2.gz CTNUMZOYKSYSKK-VIFPVBQESA-N 0 1 284.190 3.578 20 0 CHADMN C[C@H](NCc1cccnc1)c1cc2ccccc2o1 ZINC000020141200 171027920 /nfs/dbraw/zinc/02/79/20/171027920.db2.gz RUBAVKGTAYXQKQ-LBPRGKRZSA-N 0 1 252.317 3.679 20 0 CHADMN COc1ccc(CN[C@@H](C)c2cc3ccccc3o2)cn1 ZINC000020186428 171050281 /nfs/dbraw/zinc/05/02/81/171050281.db2.gz WJPNPCVPDCTNAD-LBPRGKRZSA-N 0 1 282.343 3.687 20 0 CHADMN C[C@H](NCc1cc(Br)cs1)c1ccccn1 ZINC000020306358 171142557 /nfs/dbraw/zinc/14/25/57/171142557.db2.gz FDVRPHWGRZPTLG-VIFPVBQESA-N 0 1 297.221 3.756 20 0 CHADMN Cc1cc(C)cc(CSc2nc(C3CC3)n[nH]2)c1 ZINC000022545914 171390560 /nfs/dbraw/zinc/39/05/60/171390560.db2.gz YKFAJIDMLDKDQJ-UHFFFAOYSA-N 0 1 259.378 3.591 20 0 CHADMN Cc1cc(C)cc(CSc2n[nH]c(C3CC3)n2)c1 ZINC000022545914 171390561 /nfs/dbraw/zinc/39/05/61/171390561.db2.gz YKFAJIDMLDKDQJ-UHFFFAOYSA-N 0 1 259.378 3.591 20 0 CHADMN O=C(Nc1cccc2cnccc21)c1ccc(O)c(Cl)c1 ZINC000035232060 172072079 /nfs/dbraw/zinc/07/20/79/172072079.db2.gz CPQULGMBCPQOAK-UHFFFAOYSA-N 0 1 298.729 3.846 20 0 CHADMN C[C@H](Cc1ccco1)NCc1c(F)cccc1Cl ZINC000035254434 172083805 /nfs/dbraw/zinc/08/38/05/172083805.db2.gz UWOUVWYZMFECGR-SNVBAGLBSA-N 0 1 267.731 3.793 20 0 CHADMN CCN[C@@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000035554622 172260623 /nfs/dbraw/zinc/26/06/23/172260623.db2.gz YWKRHHJVERDIFT-KRWDZBQOSA-N 0 1 289.350 3.542 20 0 CHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccco2)cc1F ZINC000035738716 172392432 /nfs/dbraw/zinc/39/24/32/172392432.db2.gz KXZJXQGKWXSHLI-QWRGUYRKSA-N 0 1 263.312 3.839 20 0 CHADMN Cc1c([C@H](C)NCc2cc(Cl)cc(Cl)c2)cnn1C ZINC000037424687 173198833 /nfs/dbraw/zinc/19/88/33/173198833.db2.gz CKPAOSROGITOIJ-VIFPVBQESA-N 0 1 298.217 3.886 20 0 CHADMN CCc1ncc(CN[C@H](C)c2ccc(F)cc2)s1 ZINC000037923825 173862379 /nfs/dbraw/zinc/86/23/79/173862379.db2.gz MQYWXPBJWNOFKY-SNVBAGLBSA-N 0 1 264.369 3.695 20 0 CHADMN CCC(C)(C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000042336651 174689771 /nfs/dbraw/zinc/68/97/71/174689771.db2.gz DKQAONRWXKGSFA-VXGBXAGGSA-N 0 1 296.842 3.684 20 0 CHADMN CCOC[C@H](C)N[C@@H](C)c1sccc1Br ZINC000044691768 175233731 /nfs/dbraw/zinc/23/37/31/175233731.db2.gz CBMQZYZVFYRXHC-IUCAKERBSA-N 0 1 292.242 3.586 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cscn1 ZINC000078487918 177346201 /nfs/dbraw/zinc/34/62/01/177346201.db2.gz POGBXMWCCDBIIM-UHFFFAOYSA-N 0 1 298.371 3.539 20 0 CHADMN Cc1c([C@@H](C)N[C@@H](C)c2ccccc2Cl)cnn1C ZINC000037167553 260073082 /nfs/dbraw/zinc/07/30/82/260073082.db2.gz XQFJNFSOXLSYQJ-WDEREUQCSA-N 0 1 277.799 3.794 20 0 CHADMN CCn1cncc1CN(Cc1ccc(C)c(C)c1)C1CC1 ZINC000417789214 224695653 /nfs/dbraw/zinc/69/56/53/224695653.db2.gz IZWQIIHSRNQNAH-UHFFFAOYSA-N 0 1 283.419 3.684 20 0 CHADMN C[C@@H]1CCCC[C@@H]1OCCN1CCCc2occc2C1 ZINC000344244362 225003335 /nfs/dbraw/zinc/00/33/35/225003335.db2.gz FQORXRTWXNOQII-ZBFHGGJFSA-N 0 1 277.408 3.623 20 0 CHADMN C[C@H](c1ccncc1F)N1CCC[C@]2(CCSC2)C1 ZINC000334672719 225243256 /nfs/dbraw/zinc/24/32/56/225243256.db2.gz WYSWXYKHLMMLNG-DOMZBBRYSA-N 0 1 280.412 3.501 20 0 CHADMN Clc1ccc(CN2CCC(c3ccncn3)CC2)cc1 ZINC000334645537 225249435 /nfs/dbraw/zinc/24/94/35/225249435.db2.gz ODECSKLMGOMSMO-UHFFFAOYSA-N 0 1 287.794 3.510 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C1=CCC(C)(C)CC1 ZINC000334983486 225385986 /nfs/dbraw/zinc/38/59/86/225385986.db2.gz CGFBMWGRUSWNJM-UHFFFAOYSA-N 0 1 283.322 3.731 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2COCc3ccccc32)cs1 ZINC000334908753 225361885 /nfs/dbraw/zinc/36/18/85/225361885.db2.gz NBZVXONDEAKGQF-WBMJQRKESA-N 0 1 273.401 3.979 20 0 CHADMN C[C@H](N(C)Cc1nc2c(s1)C[C@@H](C)CC2)C1(C)CC1 ZINC000355085190 227384729 /nfs/dbraw/zinc/38/47/29/227384729.db2.gz XHQQGBHYHAJEFY-RYUDHWBXSA-N 0 1 278.465 3.888 20 0 CHADMN Cc1nnc([C@H](C)NCCc2ccc(C(C)C)cc2)s1 ZINC000347472139 226177009 /nfs/dbraw/zinc/17/70/09/226177009.db2.gz RMRQGUOBPIZCML-LBPRGKRZSA-N 0 1 289.448 3.863 20 0 CHADMN Clc1sccc1CN1CCC(c2ncc[nH]2)CC1 ZINC000335273395 226113679 /nfs/dbraw/zinc/11/36/79/226113679.db2.gz UNSZYYNRKNMHGL-UHFFFAOYSA-N 0 1 281.812 3.504 20 0 CHADMN Cc1cccc(CN(Cc2ccccc2C)C2CC2)n1 ZINC000347382472 226141448 /nfs/dbraw/zinc/14/14/48/226141448.db2.gz JUEIOTIRAHNAJY-UHFFFAOYSA-N 0 1 266.388 3.863 20 0 CHADMN COc1cc([C@H](C)N[C@H](C)c2ccccc2F)ccn1 ZINC000347555541 226191112 /nfs/dbraw/zinc/19/11/12/226191112.db2.gz KYQHCKBIVPEGCT-NWDGAFQWSA-N 0 1 274.339 3.641 20 0 CHADMN FC(F)n1ccc(CN2CCC3(CCCCC3)CC2)n1 ZINC000347680933 226220976 /nfs/dbraw/zinc/22/09/76/226220976.db2.gz LEKXCSVYLMJJOT-UHFFFAOYSA-N 0 1 283.366 3.825 20 0 CHADMN Cc1nnc(CN([C@@H](C)c2ccccc2)C2CCCC2)o1 ZINC000347701274 226239177 /nfs/dbraw/zinc/23/91/77/226239177.db2.gz CPMSDCPCGWJNGS-ZDUSSCGKSA-N 0 1 285.391 3.884 20 0 CHADMN COCCN(Cc1ccc(C)o1)Cc1ccc2occc2c1 ZINC000347870058 226387421 /nfs/dbraw/zinc/38/74/21/226387421.db2.gz FTCDUAMHWPEELN-UHFFFAOYSA-N 0 1 299.370 3.983 20 0 CHADMN Cc1ccnc(NCCc2ccc3ccccc3n2)c1 ZINC000347758600 226378341 /nfs/dbraw/zinc/37/83/41/226378341.db2.gz WAWSXYUEYPWNOC-UHFFFAOYSA-N 0 1 263.344 3.593 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N(CC(C)C)C3CC3)n[nH]2)cc1 ZINC000171763108 335078153 /nfs/dbraw/zinc/07/81/53/335078153.db2.gz CCOGEVJPUNRODO-UHFFFAOYSA-N 0 1 297.402 3.646 20 0 CHADMN Cc1cc(Cl)ccc1CN[C@H](CO)c1ccsc1 ZINC000349604117 226787143 /nfs/dbraw/zinc/78/71/43/226787143.db2.gz YOKWUBFUKOWSHO-CQSZACIVSA-N 0 1 281.808 3.533 20 0 CHADMN Cc1oc2ccccc2c1C[N@H+](C)Cc1ccccn1 ZINC000350392644 227005283 /nfs/dbraw/zinc/00/52/83/227005283.db2.gz OKPOQRKIOKHTBY-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN Cc1oc2ccccc2c1CN(C)Cc1ccccn1 ZINC000350392644 227005288 /nfs/dbraw/zinc/00/52/88/227005288.db2.gz OKPOQRKIOKHTBY-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN FC(F)C1CCC(Nc2cc3c(cn2)CCC3)CC1 ZINC000354539145 227027524 /nfs/dbraw/zinc/02/75/24/227027524.db2.gz MRBQKOFKCDNROB-UHFFFAOYSA-N 0 1 266.335 3.806 20 0 CHADMN Cc1ncsc1CN(C)c1ccnc2cc(F)ccc21 ZINC000354608893 227050151 /nfs/dbraw/zinc/05/01/51/227050151.db2.gz HDSLAAIZKJAUEC-UHFFFAOYSA-N 0 1 287.363 3.775 20 0 CHADMN CCn1nccc1C[N@H+](Cc1ccccc1)CC(C)C ZINC000350700953 227057716 /nfs/dbraw/zinc/05/77/16/227057716.db2.gz PLJDCULWXCHEFG-UHFFFAOYSA-N 0 1 271.408 3.561 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1CCC(c2c[nH]cn2)CC1 ZINC000336525542 227094689 /nfs/dbraw/zinc/09/46/89/227094689.db2.gz BXTQDVNZEVMTLY-LLVKDONJSA-N 0 1 291.345 3.629 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CCC(c2ncc[nH]2)CC1 ZINC000336539612 227102194 /nfs/dbraw/zinc/10/21/94/227102194.db2.gz DCQVEGKEDQZNAI-LLVKDONJSA-N 0 1 291.345 3.629 20 0 CHADMN C[C@H]1CCC[C@@H](CC(=O)Nc2ccc3nc[nH]c3c2)C1 ZINC000352631568 227130892 /nfs/dbraw/zinc/13/08/92/227130892.db2.gz XOQZSBNGZKFMNQ-NWDGAFQWSA-N 0 1 271.364 3.718 20 0 CHADMN Cc1cncc(CNCc2cscc2C(F)(F)F)c1 ZINC000352810114 227246699 /nfs/dbraw/zinc/24/66/99/227246699.db2.gz LNWQZKGSMZALGM-UHFFFAOYSA-N 0 1 286.322 3.760 20 0 CHADMN Cn1ccc(CN2CCC(=Cc3ccccc3F)CC2)c1 ZINC000354990784 227291015 /nfs/dbraw/zinc/29/10/15/227291015.db2.gz COSSDFRDNFCYOA-UHFFFAOYSA-N 0 1 284.378 3.844 20 0 CHADMN COc1cc([C@H](C)NCc2ccc(SC)s2)ccn1 ZINC000352861347 227346131 /nfs/dbraw/zinc/34/61/31/227346131.db2.gz HFIIIACUQRVLCT-JTQLQIEISA-N 0 1 294.445 3.724 20 0 CHADMN Cc1ccc([C@@H](N[C@@H]2COC(C)(C)C2)c2ccccn2)cc1 ZINC000418028795 227946201 /nfs/dbraw/zinc/94/62/01/227946201.db2.gz KWQNNZJKVIPCPE-FUHWJXTLSA-N 0 1 296.414 3.637 20 0 CHADMN Cc1cccc2nc(CCc3nc([C@H]4CC4(C)C)no3)[nH]c21 ZINC000355874652 228031478 /nfs/dbraw/zinc/03/14/78/228031478.db2.gz RZSVCVPPYIUYQV-LLVKDONJSA-N 0 1 296.374 3.553 20 0 CHADMN Oc1cc(CN2CCCCCC2)cc(C(F)(F)F)c1 ZINC000356055827 228103712 /nfs/dbraw/zinc/10/37/12/228103712.db2.gz CNPVVAQKSYSYOS-UHFFFAOYSA-N 0 1 273.298 3.787 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)N(C)C1CC(O)C1 ZINC000353486100 228109449 /nfs/dbraw/zinc/10/94/49/228109449.db2.gz XARSTWXJBXTSSV-MFAVDMRSSA-N 0 1 274.191 3.510 20 0 CHADMN Cc1ccnc([C@@H](C)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000353521706 228114110 /nfs/dbraw/zinc/11/41/10/228114110.db2.gz SCTHVZLZBVIZCI-DLBZAZTESA-N 0 1 297.446 3.561 20 0 CHADMN COC1(C(F)(F)F)CCN(Cc2csc(C)c2)CC1 ZINC000418100454 228049348 /nfs/dbraw/zinc/04/93/48/228049348.db2.gz PQDUPRRFQBXFEN-UHFFFAOYSA-N 0 1 293.354 3.600 20 0 CHADMN C[C@@]1(CNCc2ccc(Cl)o2)OCCc2sccc21 ZINC000353196022 228068122 /nfs/dbraw/zinc/06/81/22/228068122.db2.gz SUZFVSMISRFMRL-AWEZNQCLSA-N 0 1 297.807 3.572 20 0 CHADMN Cc1cc(Cl)cc(CN(C)Cc2cnccc2C)c1 ZINC000353261707 228076141 /nfs/dbraw/zinc/07/61/41/228076141.db2.gz CHTVDJASKORZBH-UHFFFAOYSA-N 0 1 274.795 3.984 20 0 CHADMN Cc1cnn([C@H]2CCN(Cc3cc(C)cc(Cl)c3)C2)c1 ZINC000353557902 228120926 /nfs/dbraw/zinc/12/09/26/228120926.db2.gz CGBDZOBDCGCBLK-INIZCTEOSA-N 0 1 289.810 3.600 20 0 CHADMN Clc1ccc2c(c1)CC[C@@H]2NCc1ccc2cc[nH]c2n1 ZINC000353632737 228135741 /nfs/dbraw/zinc/13/57/41/228135741.db2.gz UQRPBYCWRVLEIB-INIZCTEOSA-N 0 1 297.789 3.993 20 0 CHADMN C[C@@]1(C(N)=O)CCCCN1Cc1cc2ccccc2o1 ZINC000332235804 228153282 /nfs/dbraw/zinc/15/32/82/228153282.db2.gz NQWVBNOQTYPJEF-INIZCTEOSA-N 0 1 272.348 3.713 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](c2nccn2C)C2CC2)cc1C ZINC000353863427 228160320 /nfs/dbraw/zinc/16/03/20/228160320.db2.gz GFEQAIOBANOJEC-YOEHRIQHSA-N 0 1 283.419 3.839 20 0 CHADMN CCc1oc2ccccc2c1CN1CCOC(C)(C)C1 ZINC000351960925 228168715 /nfs/dbraw/zinc/16/87/15/228168715.db2.gz XBOYMSZQAXWGFK-UHFFFAOYSA-N 0 1 273.376 3.606 20 0 CHADMN Cc1noc(C)c1CN[C@@H]1CCCc2ccc(C)cc21 ZINC000336098494 228186976 /nfs/dbraw/zinc/18/69/76/228186976.db2.gz JLEIUNBUXXPGKG-QGZVFWFLSA-N 0 1 270.376 3.767 20 0 CHADMN FC(F)C1(NCC[C@H]2CCCCO2)CCCCC1 ZINC000352218961 228200586 /nfs/dbraw/zinc/20/05/86/228200586.db2.gz AONCXYLLCJTVDU-GFCCVEGCSA-N 0 1 261.356 3.503 20 0 CHADMN FC(F)c1noc(CN[C@H]2CCCCC23CCCC3)n1 ZINC000333455513 228201128 /nfs/dbraw/zinc/20/11/28/228201128.db2.gz ZMKJKQQIMCLPFG-JTQLQIEISA-N 0 1 285.338 3.600 20 0 CHADMN COC(=O)CN(Cc1cccc2ccccc21)C1CCCC1 ZINC000317168338 260005024 /nfs/dbraw/zinc/00/50/24/260005024.db2.gz OBPXWJBFDSLLMY-UHFFFAOYSA-N 0 1 297.398 3.757 20 0 CHADMN Cc1oc(C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)cc1C(=O)[O-] ZINC000516777313 260011035 /nfs/dbraw/zinc/01/10/35/260011035.db2.gz VQQOCQCOMSXUPO-SWLSCSKDSA-N 0 1 299.370 3.664 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc2ccn(C)c2c1 ZINC000179598827 260058013 /nfs/dbraw/zinc/05/80/13/260058013.db2.gz ARBCWYGMHYNLJI-UHFFFAOYSA-N 0 1 296.374 3.586 20 0 CHADMN Cc1cc(F)ccc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000179622099 260058676 /nfs/dbraw/zinc/05/86/76/260058676.db2.gz KHAKSXWGRMXZON-GFCCVEGCSA-N 0 1 275.289 3.908 20 0 CHADMN Cc1c([C@H](C)N[C@H](C)c2cc3ccccc3o2)cnn1C ZINC000037167578 260072682 /nfs/dbraw/zinc/07/26/82/260072682.db2.gz RACPCUWKLLXDNV-NWDGAFQWSA-N 0 1 283.375 3.887 20 0 CHADMN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccccc1)CCO2 ZINC000037185899 260073413 /nfs/dbraw/zinc/07/34/13/260073413.db2.gz HSGPLHRVHVEBTF-GUYCJALGSA-N 0 1 283.371 3.870 20 0 CHADMN CCCn1cc(CN2CCC[C@@H]2c2cccc(F)c2)cn1 ZINC000180154726 260094839 /nfs/dbraw/zinc/09/48/39/260094839.db2.gz ZYMPUZYDVBWUHQ-QGZVFWFLSA-N 0 1 287.382 3.769 20 0 CHADMN COc1ccc2cc(CN(C)Cc3ccncc3)ccc2c1 ZINC000180196344 260095671 /nfs/dbraw/zinc/09/56/71/260095671.db2.gz YSCWTPLHHFFFTG-UHFFFAOYSA-N 0 1 292.382 3.875 20 0 CHADMN CCC[C@@H](C)N(C)Cc1nc2c(s1)CCCC2 ZINC000180297032 260097742 /nfs/dbraw/zinc/09/77/42/260097742.db2.gz MXNDWPMMVGTDJG-LLVKDONJSA-N 0 1 252.427 3.642 20 0 CHADMN COc1ccc(CN[C@@H]2CCCc3occc32)cc1F ZINC000037502765 260113552 /nfs/dbraw/zinc/11/35/52/260113552.db2.gz QJGFMCIRLLANAI-CQSZACIVSA-N 0 1 275.323 3.595 20 0 CHADMN COCc1ccccc1CN[C@@H](C)c1ccc(C)o1 ZINC000037762574 260116026 /nfs/dbraw/zinc/11/60/26/260116026.db2.gz STDSIJVTQUGKEW-ZDUSSCGKSA-N 0 1 259.349 3.585 20 0 CHADMN Fc1ccc(CCNCc2csc(C3CC3)n2)cc1F ZINC000526045674 260125262 /nfs/dbraw/zinc/12/52/62/260125262.db2.gz JCKSTQZGRGEYLV-UHFFFAOYSA-N 0 1 294.370 3.631 20 0 CHADMN Clc1sccc1CNCCOC1CCCCC1 ZINC000312554502 260148439 /nfs/dbraw/zinc/14/84/39/260148439.db2.gz JBYVQVSYPBBELQ-UHFFFAOYSA-N 0 1 273.829 3.840 20 0 CHADMN CCCCOc1ccc(CN[C@H](CO)c2ccccc2)cc1 ZINC000076943327 260166732 /nfs/dbraw/zinc/16/67/32/260166732.db2.gz CRFAOFYRCMSTRK-LJQANCHMSA-N 0 1 299.414 3.689 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccc(Cl)s1)c1cnn(C)c1 ZINC000044496911 260190402 /nfs/dbraw/zinc/19/04/02/260190402.db2.gz ITDQFAZWTKITFJ-BDAKNGLRSA-N 0 1 269.801 3.547 20 0 CHADMN COC[C@@H](N[C@H](C)c1ccccc1OC)c1ccccc1 ZINC000089667773 260192276 /nfs/dbraw/zinc/19/22/76/260192276.db2.gz DWUCELSKLFQVAZ-RHSMWYFYSA-N 0 1 285.387 3.734 20 0 CHADMN Cc1ncsc1CN[C@H](C)c1cnc2ccsc2c1 ZINC000085434036 260204045 /nfs/dbraw/zinc/20/40/45/260204045.db2.gz APQMTXJMGMQMKM-SECBINFHSA-N 0 1 289.429 3.912 20 0 CHADMN CCc1ccccc1CNCc1cc(F)ccc1OC ZINC000312799940 260204717 /nfs/dbraw/zinc/20/47/17/260204717.db2.gz REBZNKLGVAEBSM-UHFFFAOYSA-N 0 1 273.351 3.687 20 0 CHADMN O=C([O-])CC[C@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000086810157 260210026 /nfs/dbraw/zinc/21/00/26/260210026.db2.gz XWAPIHNMRVSJOV-RHSMWYFYSA-N 0 1 287.403 3.641 20 0 CHADMN COc1cc(CNCc2cccc(C)c2F)ccc1C ZINC000449102194 260218760 /nfs/dbraw/zinc/21/87/60/260218760.db2.gz XSCRCWAWGAJVFU-UHFFFAOYSA-N 0 1 273.351 3.741 20 0 CHADMN CC(C)n1cncc1CN[C@@H]1CCSc2ccccc21 ZINC000090208345 260239327 /nfs/dbraw/zinc/23/93/27/260239327.db2.gz YQXZKJOUSMOSDY-OAHLLOKOSA-N 0 1 287.432 3.791 20 0 CHADMN CCOCc1ccccc1CN[C@H](C)c1ccc(F)cn1 ZINC000092196152 260267719 /nfs/dbraw/zinc/26/77/19/260267719.db2.gz WVTXEDXBNZLKDN-CYBMUJFWSA-N 0 1 288.366 3.608 20 0 CHADMN C[C@@H](N[C@@H]1CCc2ccccc21)c1ccc(F)cn1 ZINC000092195344 260268114 /nfs/dbraw/zinc/26/81/14/260268114.db2.gz OZOURVRXLFZICE-BDJLRTHQSA-N 0 1 256.324 3.559 20 0 CHADMN Cc1nc(C)c([C@@H](C)N[C@H]2CCc3c2cccc3O)s1 ZINC000040518162 260290399 /nfs/dbraw/zinc/29/03/99/260290399.db2.gz PKJXBNJBIASEIL-YGRLFVJLSA-N 0 1 288.416 3.804 20 0 CHADMN COC1(CNCc2c(F)cccc2Cl)CCCC1 ZINC000394082270 260293030 /nfs/dbraw/zinc/29/30/30/260293030.db2.gz RQKQWXKSDRRXFI-UHFFFAOYSA-N 0 1 271.763 3.528 20 0 CHADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCCC2(CCCCC2)CC1 ZINC000517949390 260324949 /nfs/dbraw/zinc/32/49/49/260324949.db2.gz UQEOGNCMZMMYRI-OAHLLOKOSA-N 0 1 281.440 3.922 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2NCc1ccccc1F ZINC000126902998 260360158 /nfs/dbraw/zinc/36/01/58/260360158.db2.gz XLSFPUVAKQGHMX-MRXNPFEDSA-N 0 1 259.299 3.742 20 0 CHADMN C[C@H](N[C@@H]1CCc2cc(F)ccc21)c1ccccn1 ZINC000128171299 260372895 /nfs/dbraw/zinc/37/28/95/260372895.db2.gz SLWQZLHOGFZJIP-MEDUHNTESA-N 0 1 256.324 3.559 20 0 CHADMN CC1(C)CCN(Cc2cc(Br)cs2)C1 ZINC000085697291 260378163 /nfs/dbraw/zinc/37/81/63/260378163.db2.gz SFEXNSMOAWADKY-UHFFFAOYSA-N 0 1 274.227 3.743 20 0 CHADMN CC[C@H](C)CN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000409445375 260403059 /nfs/dbraw/zinc/40/30/59/260403059.db2.gz UPDLZYNVVOMDRX-WFASDCNBSA-N 0 1 267.800 3.759 20 0 CHADMN CCC(CC)CN1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000409446317 260405735 /nfs/dbraw/zinc/40/57/35/260405735.db2.gz FONGMQRDVFXSSA-QGZVFWFLSA-N 0 1 277.408 3.505 20 0 CHADMN COc1cc([C@H](C)N[C@@H](C)c2cccnc2)ccc1F ZINC000131560567 260406621 /nfs/dbraw/zinc/40/66/21/260406621.db2.gz DWLCIAKKYRSYPU-RYUDHWBXSA-N 0 1 274.339 3.641 20 0 CHADMN Cc1nc(C2(NC[C@H](C)CC(C)C)CCCCC2)no1 ZINC000410427693 260494118 /nfs/dbraw/zinc/49/41/18/260494118.db2.gz XSHGILGOPJAXEH-CYBMUJFWSA-N 0 1 279.428 3.809 20 0 CHADMN Fc1ccc([C@H](CC(F)(F)F)NCc2cc[nH]c2)cc1 ZINC000092850737 260503541 /nfs/dbraw/zinc/50/35/41/260503541.db2.gz USIAFDLTTHERLG-ZDUSSCGKSA-N 0 1 286.272 3.937 20 0 CHADMN CC1(C)CCC[C@@H]1[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000427669413 260804487 /nfs/dbraw/zinc/80/44/87/260804487.db2.gz ZAORCNUKCFJBOS-HNNXBMFYSA-N 0 1 275.392 3.542 20 0 CHADMN FC(F)(F)Oc1ccc2c(c1)[C@H](NCc1ccco1)CC2 ZINC000152052741 261058717 /nfs/dbraw/zinc/05/87/17/261058717.db2.gz ZQIVNCHCYVMHRZ-CQSZACIVSA-N 0 1 297.276 3.955 20 0 CHADMN CCN(Cc1nc(C(C)(C)C)no1)[C@H]1CCCC[C@@H]1C ZINC000444656917 261058997 /nfs/dbraw/zinc/05/89/97/261058997.db2.gz ARKOBLVUFBIECM-STQMWFEESA-N 0 1 279.428 3.768 20 0 CHADMN CC(C)N(C)Cc1csc(-c2ccc(F)cc2)n1 ZINC000152293572 261062647 /nfs/dbraw/zinc/06/26/47/261062647.db2.gz FAYRGCKIIJXJKR-UHFFFAOYSA-N 0 1 264.369 3.789 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccc(Cl)cc2)c(C)n1 ZINC000152912642 261071449 /nfs/dbraw/zinc/07/14/49/261071449.db2.gz PZVBSCKHMNUWOQ-JTQLQIEISA-N 0 1 275.783 3.598 20 0 CHADMN c1csc(-c2cc(CN3C[C@@H]4CCC[C@@H]4C3)no2)c1 ZINC000153334905 261077042 /nfs/dbraw/zinc/07/70/42/261077042.db2.gz KLRCWHUKYFQCAS-TXEJJXNPSA-N 0 1 274.389 3.635 20 0 CHADMN CCN(CC(C)C)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000153712760 261082001 /nfs/dbraw/zinc/08/20/01/261082001.db2.gz ZKGCTVKFDTZHRH-AWEZNQCLSA-N 0 1 287.407 3.699 20 0 CHADMN COc1ccnc(CN[C@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000154330504 261090659 /nfs/dbraw/zinc/09/06/59/261090659.db2.gz SSPXHHJBUAGDJC-CQSZACIVSA-N 0 1 296.414 3.820 20 0 CHADMN CCN(Cc1nnc(-c2ccccc2)s1)C1CCCC1 ZINC000155114727 261098384 /nfs/dbraw/zinc/09/83/84/261098384.db2.gz LFRVTJXNPWUPLC-UHFFFAOYSA-N 0 1 287.432 3.970 20 0 CHADMN C[C@@H]1CCN(Cc2ncc(C(C)(C)C)s2)[C@@H]1C ZINC000448333011 261116750 /nfs/dbraw/zinc/11/67/50/261116750.db2.gz RIGQSCBWNUJKGY-GHMZBOCLSA-N 0 1 252.427 3.671 20 0 CHADMN CCCN(C)Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000157137194 261141530 /nfs/dbraw/zinc/14/15/30/261141530.db2.gz NWCIUBKORWEZGS-UHFFFAOYSA-N 0 1 274.364 3.582 20 0 CHADMN CO[C@H](C)[C@@H](C)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000361214920 261176701 /nfs/dbraw/zinc/17/67/01/261176701.db2.gz HGEILAKYEMCTMX-GMTAPVOTSA-N 0 1 270.442 3.515 20 0 CHADMN CO[C@@H](C)c1nc(CN(C)C2CCCCC2)cs1 ZINC000175060942 261206557 /nfs/dbraw/zinc/20/65/57/261206557.db2.gz CUGUWADVWBNCKH-NSHDSACASA-N 0 1 268.426 3.615 20 0 CHADMN C[C@@H]1CN(Cc2csc(Cl)c2Cl)C[C@H](C)N1C ZINC000354448237 261213309 /nfs/dbraw/zinc/21/33/09/261213309.db2.gz PHBKWZXKACYAJQ-DTORHVGOSA-N 0 1 293.263 3.579 20 0 CHADMN Cc1ccc(-c2n[nH]c(NC(=O)C3CCCCC3)c2C)o1 ZINC000161565353 261251614 /nfs/dbraw/zinc/25/16/14/261251614.db2.gz GYBJRNYQXAFVHE-UHFFFAOYSA-N 0 1 287.363 3.805 20 0 CHADMN Oc1cc(Cl)ccc1-c1nc([C@H]2CCCS2)no1 ZINC000161649326 261255308 /nfs/dbraw/zinc/25/53/08/261255308.db2.gz XEDPGOANODCRLO-SNVBAGLBSA-N 0 1 282.752 3.664 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)CCC3CC3)c2C1 ZINC000162180468 261272522 /nfs/dbraw/zinc/27/25/22/261272522.db2.gz NVRZOIFDATWYJA-UHFFFAOYSA-N 0 1 286.419 3.787 20 0 CHADMN Cn1ccnc1[C@H](NCCC(C)(C)C)c1cccc(F)c1 ZINC000162353391 261278819 /nfs/dbraw/zinc/27/88/19/261278819.db2.gz LYVBSNVPAOFWNI-OAHLLOKOSA-N 0 1 289.398 3.674 20 0 CHADMN C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000176609768 261299586 /nfs/dbraw/zinc/29/95/86/261299586.db2.gz IWPOTENHXGHXIC-QWRGUYRKSA-N 0 1 281.783 3.696 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2n[nH]cc21)c1ccc(F)cc1F ZINC000367602995 261301784 /nfs/dbraw/zinc/30/17/84/261301784.db2.gz XNLPLGPDGQGHTD-CABCVRRESA-N 0 1 291.345 3.806 20 0 CHADMN CC[C@H](C)[C@H](C)N(Cc1nnc(C(C)C)o1)C1CC1 ZINC000104967328 261304333 /nfs/dbraw/zinc/30/43/33/261304333.db2.gz DHIDBVJKJQVNED-RYUDHWBXSA-N 0 1 265.401 3.592 20 0 CHADMN C[C@H](NCc1cccc(N(C)C)n1)c1ccc(Cl)cc1 ZINC000163129349 261306617 /nfs/dbraw/zinc/30/66/17/261306617.db2.gz PYLFUNYIVWRAAZ-LBPRGKRZSA-N 0 1 289.810 3.652 20 0 CHADMN C[C@@H]1CCCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000176947399 261321977 /nfs/dbraw/zinc/32/19/77/261321977.db2.gz WMHDWKKBPDHEJU-MRVPVSSYSA-N 0 1 288.174 3.571 20 0 CHADMN CC[C@@H](N[C@@H](C)c1cccnc1Cl)c1ccncc1 ZINC000163679243 261325595 /nfs/dbraw/zinc/32/55/95/261325595.db2.gz ZVHQUVXDODSQPV-SMDDNHRTSA-N 0 1 275.783 3.932 20 0 CHADMN CC[C@H](NCc1cnc(C)s1)c1ccccc1F ZINC000163835896 261330795 /nfs/dbraw/zinc/33/07/95/261330795.db2.gz WDCIPFUWFKSYNX-AWEZNQCLSA-N 0 1 264.369 3.832 20 0 CHADMN COC[C@H](N[C@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000177334170 261348100 /nfs/dbraw/zinc/34/81/00/261348100.db2.gz FRYNHAWBDOEMIX-KDOFPFPSSA-N 0 1 285.387 3.734 20 0 CHADMN CC[C@H](NCCC(F)(F)F)c1cc(F)ccc1F ZINC000165474888 261371230 /nfs/dbraw/zinc/37/12/30/261371230.db2.gz VJFWDQWYUZGDDW-NSHDSACASA-N 0 1 267.241 3.958 20 0 CHADMN CCc1noc(CC)c1CN[C@@H]1c2ccccc2C[C@H]1C ZINC000166954957 261395616 /nfs/dbraw/zinc/39/56/16/261395616.db2.gz FBXNFISEAKRGRO-XIKOKIGWSA-N 0 1 284.403 3.823 20 0 CHADMN CCc1noc(CC)c1CN[C@@H](C)c1ccc(C)cc1 ZINC000166999418 261396911 /nfs/dbraw/zinc/39/69/11/261396911.db2.gz DWLXWEMHUAWFMY-ZDUSSCGKSA-N 0 1 272.392 3.959 20 0 CHADMN Cc1cc(CN[C@@H](c2ccc(F)cc2)C2CCC2)on1 ZINC000170920309 261451210 /nfs/dbraw/zinc/45/12/10/261451210.db2.gz ZUFHSNJFHGEPBB-MRXNPFEDSA-N 0 1 274.339 3.753 20 0 CHADMN Cc1cnc(C(C)(C)NCc2ccc3c(c2)CCC3)s1 ZINC000175982880 261633103 /nfs/dbraw/zinc/63/31/03/261633103.db2.gz PSEBKKNWBRZIBC-UHFFFAOYSA-N 0 1 286.444 3.965 20 0 CHADMN C[C@H](N[C@@H](C)C1CCC1)c1noc(-c2ccccc2)n1 ZINC000178485202 261745186 /nfs/dbraw/zinc/74/51/86/261745186.db2.gz ZCQDVUUFEHHBBM-RYUDHWBXSA-N 0 1 271.364 3.576 20 0 CHADMN C[C@H](O)c1ccc(CN[C@@H](C)c2cc(F)ccc2F)cc1 ZINC000178544616 261748259 /nfs/dbraw/zinc/74/82/59/261748259.db2.gz ZGFWZKWJWDPLHF-RYUDHWBXSA-N 0 1 291.341 3.869 20 0 CHADMN CC[C@H](NCc1cccc(O)c1)c1cc(C)ccc1OC ZINC000179420106 261785466 /nfs/dbraw/zinc/78/54/66/261785466.db2.gz UIBHRCQUNQUYKO-KRWDZBQOSA-N 0 1 285.387 3.950 20 0 CHADMN C[C@H]1CCC[C@H](Sc2nc(-c3cccnc3)n[nH]2)C1 ZINC000522748079 261986310 /nfs/dbraw/zinc/98/63/10/261986310.db2.gz ODIHFKKBMDEHRT-JQWIXIFHSA-N 0 1 274.393 3.538 20 0 CHADMN CCOc1ccccc1C[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000183965079 262002725 /nfs/dbraw/zinc/00/27/25/262002725.db2.gz NSDGADQHUWJVLL-CYBMUJFWSA-N 0 1 290.432 3.777 20 0 CHADMN COc1cc(Cl)ccc1CN[C@H](C)c1cncc(C)c1 ZINC000184350818 262017323 /nfs/dbraw/zinc/01/73/23/262017323.db2.gz LFBKWAZQIMHIOS-GFCCVEGCSA-N 0 1 290.794 3.903 20 0 CHADMN CCc1ccc(C2=CCN([C@@H](C)c3cnccn3)CC2)cc1 ZINC000184710435 262026825 /nfs/dbraw/zinc/02/68/25/262026825.db2.gz YSFAVWNTLAMZKR-HNNXBMFYSA-N 0 1 293.414 3.889 20 0 CHADMN CC(C)CCN[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185079983 262040463 /nfs/dbraw/zinc/04/04/63/262040463.db2.gz WIOHSAYWSTWTMF-NSHDSACASA-N 0 1 277.343 3.572 20 0 CHADMN C[C@H](N[C@H]1c2ccccc2CCC[C@H]1C)c1cnccn1 ZINC000185284621 262048217 /nfs/dbraw/zinc/04/82/17/262048217.db2.gz VYSVOUKJSALGIX-QWQRMKEZSA-N 0 1 281.403 3.841 20 0 CHADMN CC[C@]1(C)CCC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000518783085 262055488 /nfs/dbraw/zinc/05/54/88/262055488.db2.gz YSINBWNQRQAQMO-MRXNPFEDSA-N 0 1 279.355 3.536 20 0 CHADMN CCCOc1ccc(CNCc2cc(O)cc(F)c2)cc1 ZINC000185470681 262055860 /nfs/dbraw/zinc/05/58/60/262055860.db2.gz PEYNKSGBEMGURV-UHFFFAOYSA-N 0 1 289.350 3.610 20 0 CHADMN Cc1cccnc1[C@@H](NCc1cc(O)cc(F)c1)C(C)C ZINC000185537925 262059401 /nfs/dbraw/zinc/05/94/01/262059401.db2.gz FNOUJADIWMBZQX-INIZCTEOSA-N 0 1 288.366 3.722 20 0 CHADMN FC(F)(F)[C@@H](CNCc1ccccn1)c1ccccc1 ZINC000186436826 262093351 /nfs/dbraw/zinc/09/33/51/262093351.db2.gz QNROIWSWHLHZQD-AWEZNQCLSA-N 0 1 280.293 3.517 20 0 CHADMN Cc1cccc2c1[C@@H](C)C[C@H]2N[C@@H](CCO)c1ccco1 ZINC000186530349 262096915 /nfs/dbraw/zinc/09/69/15/262096915.db2.gz BODLCJQSQCNGAC-CWRNSKLLSA-N 0 1 285.387 3.850 20 0 CHADMN CCc1ccc([C@@H](C)N[C@@H](CCO)c2ccco2)cc1 ZINC000186532006 262097411 /nfs/dbraw/zinc/09/74/11/262097411.db2.gz CEFDWRUSMXTITK-CJNGLKHVSA-N 0 1 273.376 3.616 20 0 CHADMN CC[C@H](N[C@H](CCO)c1ccco1)c1ccc(F)cc1 ZINC000186547279 262097777 /nfs/dbraw/zinc/09/77/77/262097777.db2.gz UHLCTZMNNFVDHM-LSDHHAIUSA-N 0 1 277.339 3.583 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@@H](CCO)c1ccco1)[C@H](C)C2 ZINC000186543661 262098108 /nfs/dbraw/zinc/09/81/08/262098108.db2.gz DRCIMVIKUPCEQX-SKDZVZGDSA-N 0 1 285.387 3.535 20 0 CHADMN O=C(c1cc(C2CC2)[nH]n1)N1CCCC[C@H]1c1ccccc1 ZINC000364029481 262106317 /nfs/dbraw/zinc/10/63/17/262106317.db2.gz MMFNEZPZEWTURB-KRWDZBQOSA-N 0 1 295.386 3.655 20 0 CHADMN Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCCC2(CC2)C1 ZINC000186980793 262120084 /nfs/dbraw/zinc/12/00/84/262120084.db2.gz MBNCEVOKJCHAJM-OAHLLOKOSA-N 0 1 286.419 3.506 20 0 CHADMN Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCCC(C)(C)C1 ZINC000497372552 262148642 /nfs/dbraw/zinc/14/86/42/262148642.db2.gz TYGYNLTXXADQJK-ZDUSSCGKSA-N 0 1 292.398 3.583 20 0 CHADMN CC[C@@H](N[C@@H](CCO)c1ccco1)c1cccc(F)c1 ZINC000188479199 262157040 /nfs/dbraw/zinc/15/70/40/262157040.db2.gz GAVLJRWYNMIDGP-CABCVRRESA-N 0 1 277.339 3.583 20 0 CHADMN CC1(C)CC[C@@H]1NCc1c(F)cccc1Br ZINC000390529685 262207304 /nfs/dbraw/zinc/20/73/04/262207304.db2.gz IANGAERQDRRBRP-LBPRGKRZSA-N 0 1 286.188 3.866 20 0 CHADMN CCCC[C@@H]1CCC[C@H]1N[C@@H](C)c1nnc(CC)o1 ZINC000492819553 262239483 /nfs/dbraw/zinc/23/94/83/262239483.db2.gz SMCCXTKURQCOSU-YNEHKIRRSA-N 0 1 265.401 3.642 20 0 CHADMN Cc1nc(CNCCCn2ccc3ccccc32)cs1 ZINC000020253392 262244296 /nfs/dbraw/zinc/24/42/96/262244296.db2.gz YXHMBNHSODDVAG-UHFFFAOYSA-N 0 1 285.416 3.586 20 0 CHADMN Cc1nc(CN2CCC(C)(C(C)C)CC2)cs1 ZINC000186194662 262313088 /nfs/dbraw/zinc/31/30/88/262313088.db2.gz BBMJDHNKVZTDNT-UHFFFAOYSA-N 0 1 252.427 3.710 20 0 CHADMN CC(C)(C)CNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000188587145 262321372 /nfs/dbraw/zinc/32/13/72/262321372.db2.gz AYUFRAKENXZXMQ-UHFFFAOYSA-N 0 1 297.811 3.568 20 0 CHADMN COc1cnccc1[C@H](C)N[C@@H](C)c1ccc(F)cc1 ZINC000187018066 262334421 /nfs/dbraw/zinc/33/44/21/262334421.db2.gz QPJPAXRSBCBQSO-RYUDHWBXSA-N 0 1 274.339 3.641 20 0 CHADMN CCN(C(=O)CN(C)C(C)C)c1cccc2ccccc21 ZINC000522785054 262343778 /nfs/dbraw/zinc/34/37/78/262343778.db2.gz YFBQYUZWJWGROZ-UHFFFAOYSA-N 0 1 284.403 3.533 20 0 CHADMN CC(C)c1ccccc1N(C)C(=O)c1cccc2[nH]ncc21 ZINC000426179385 262348755 /nfs/dbraw/zinc/34/87/55/262348755.db2.gz SLYUJHDAWZYAKQ-UHFFFAOYSA-N 0 1 293.370 3.963 20 0 CHADMN O=C(c1[nH]nc2ccccc21)N1CCC[C@@H]1c1cccs1 ZINC000029797371 262373913 /nfs/dbraw/zinc/37/39/13/262373913.db2.gz ABXHRRIBOQPUAG-CYBMUJFWSA-N 0 1 297.383 3.602 20 0 CHADMN CCC1(CC)CCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000446696712 262376158 /nfs/dbraw/zinc/37/61/58/262376158.db2.gz NICOTAVDJLSBMX-UHFFFAOYSA-N 0 1 285.391 3.524 20 0 CHADMN COc1cccc2cc([C@H](C)NCc3ccnc(C)c3)oc21 ZINC000391157509 262384386 /nfs/dbraw/zinc/38/43/86/262384386.db2.gz FVKWSUGCFBCFKT-ZDUSSCGKSA-N 0 1 296.370 3.996 20 0 CHADMN CC(C)(C)c1ccc(NC(=O)c2cn[nH]c2C2CC2)c(O)c1 ZINC000337663564 262465636 /nfs/dbraw/zinc/46/56/36/262465636.db2.gz RZIKNLAGUDFGRC-UHFFFAOYSA-N 0 1 299.374 3.543 20 0 CHADMN CCc1ccc([C@@H](CC)N[C@H](C)c2ccn(C)n2)cc1 ZINC000414187618 262815570 /nfs/dbraw/zinc/81/55/70/262815570.db2.gz QEQNOTQUAMUPES-CZUORRHYSA-N 0 1 271.408 3.784 20 0 CHADMN CCn1ccc(CN[C@H](C)c2cccc3ccccc32)n1 ZINC000414201068 262817626 /nfs/dbraw/zinc/81/76/26/262817626.db2.gz BSJDHBNCDIQHAA-CQSZACIVSA-N 0 1 279.387 3.907 20 0 CHADMN CCn1ccnc1NCc1ccc(C2CCC2)cc1 ZINC000414298875 262838760 /nfs/dbraw/zinc/83/87/60/262838760.db2.gz KITFPTVOBPGJBG-UHFFFAOYSA-N 0 1 255.365 3.783 20 0 CHADMN Cc1ccc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)nn1 ZINC000414308694 262840437 /nfs/dbraw/zinc/84/04/37/262840437.db2.gz TTZYALHKSRZUQE-GOSISDBHSA-N 0 1 299.393 3.945 20 0 CHADMN CCc1ncc(CNCc2ccc3sccc3c2)cn1 ZINC000414454046 262936675 /nfs/dbraw/zinc/93/66/75/262936675.db2.gz NTODULUVVSXLIN-UHFFFAOYSA-N 0 1 283.400 3.544 20 0 CHADMN Fc1c(Cl)cccc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000414583360 263000135 /nfs/dbraw/zinc/00/01/35/263000135.db2.gz LWFZSGKVDAPACU-ZYHUDNBSSA-N 0 1 265.715 3.718 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C1CCC(C)(C)CC1 ZINC000272288172 263003259 /nfs/dbraw/zinc/00/32/59/263003259.db2.gz CQWMMXRRBBNQFG-UHFFFAOYSA-N 0 1 285.338 3.811 20 0 CHADMN CC(C)[C@H](C)N(C(=O)c1ccc(O)c(Cl)c1)C1CC1 ZINC000272574473 263006976 /nfs/dbraw/zinc/00/69/76/263006976.db2.gz DACDSPIECPCHCO-JTQLQIEISA-N 0 1 281.783 3.695 20 0 CHADMN C/C(=C/c1ccc(C)cc1)c1nc([C@H](N)CC(C)C)no1 ZINC000414609991 263009012 /nfs/dbraw/zinc/00/90/12/263009012.db2.gz AINZWLSARHOPMQ-VSKPTYQZSA-N 0 1 285.391 3.984 20 0 CHADMN CC(C)C[C@H](N)c1noc(/C=C/c2ccc3[nH]ccc3c2)n1 ZINC000414613212 263009540 /nfs/dbraw/zinc/00/95/40/263009540.db2.gz FTDQAABRJYGCJX-YVZNUBBCSA-N 0 1 296.374 3.767 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@@H]2[C@H](C)[C@H]2c2ccccc2)n1 ZINC000414617804 263011332 /nfs/dbraw/zinc/01/13/32/263011332.db2.gz MDBBVDAGNHFWMO-UQOMUDLDSA-N 0 1 285.391 3.633 20 0 CHADMN CC(C)C[C@H](N)c1noc(CC2(C)CCCCC2)n1 ZINC000414626478 263016524 /nfs/dbraw/zinc/01/65/24/263016524.db2.gz XYRUZGXFZKMVRQ-LBPRGKRZSA-N 0 1 265.401 3.628 20 0 CHADMN CC(C)C[C@H](N)c1noc(C/C=C/c2ccccc2F)n1 ZINC000414626498 263016598 /nfs/dbraw/zinc/01/65/98/263016598.db2.gz YCIOFGQEGCJKEA-DYLGSBMWSA-N 0 1 289.354 3.511 20 0 CHADMN C[C@H](CCCc1ccccc1)c1nc(C2(N)CCC2)no1 ZINC000414630367 263017123 /nfs/dbraw/zinc/01/71/23/263017123.db2.gz TXTRGCTXPCMHSN-CYBMUJFWSA-N 0 1 285.391 3.534 20 0 CHADMN C[C@@H]1CCC(C)(C)N1Cc1csc(C2CC2)n1 ZINC000452010102 263023776 /nfs/dbraw/zinc/02/37/76/263023776.db2.gz QGHQUKWNZAYDQV-SNVBAGLBSA-N 0 1 250.411 3.783 20 0 CHADMN CCCCOc1ccc(C[N@@H+](CC(=O)[O-])[C@@H](C)CC)cc1 ZINC000414680255 263031502 /nfs/dbraw/zinc/03/15/02/263031502.db2.gz LBWYMLVISUCKFQ-AWEZNQCLSA-N 0 1 293.407 3.551 20 0 CHADMN COCCCN1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000276484391 263037042 /nfs/dbraw/zinc/03/70/42/263037042.db2.gz SVUITUNWFRROOR-KRWDZBQOSA-N 0 1 299.418 3.640 20 0 CHADMN Cc1ncc(CNCc2ccc(OCC3CC3)cc2)s1 ZINC000276943973 263038859 /nfs/dbraw/zinc/03/88/59/263038859.db2.gz HLGMTXHZWNPGPX-UHFFFAOYSA-N 0 1 288.416 3.530 20 0 CHADMN Cc1nc(F)ccc1CNCc1ccc(C(F)F)cc1 ZINC000278823876 263051204 /nfs/dbraw/zinc/05/12/04/263051204.db2.gz UFCOBYAOPWIYIC-UHFFFAOYSA-N 0 1 280.293 3.757 20 0 CHADMN C[C@@H](c1nc2ccccc2s1)N(C)C[C@H](O)C(C)(C)C ZINC000283843388 263084454 /nfs/dbraw/zinc/08/44/54/263084454.db2.gz HJNQEBXFNPVPRN-FZMZJTMJSA-N 0 1 292.448 3.696 20 0 CHADMN Cc1cc([C@@H](C)N[C@H](C)COc2c(C)cccc2C)no1 ZINC000289562684 263110811 /nfs/dbraw/zinc/11/08/11/263110811.db2.gz CWAMYASKCFQLPY-UKRRQHHQSA-N 0 1 288.391 3.718 20 0 CHADMN Cc1nc(C(C)C)ccc1CN1CCC(F)(F)[C@H](C)C1 ZINC000293423987 263140135 /nfs/dbraw/zinc/14/01/35/263140135.db2.gz ANYVYWDTRQRPNV-GFCCVEGCSA-N 0 1 282.378 3.991 20 0 CHADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)C1CCC1 ZINC000299560963 263247596 /nfs/dbraw/zinc/24/75/96/263247596.db2.gz VMCNODZPBXCIDB-UHFFFAOYSA-N 0 1 269.348 3.569 20 0 CHADMN CC[C@]1(CO)CCCN([C@@H](C)c2cc(F)ccc2F)C1 ZINC000187531636 263259983 /nfs/dbraw/zinc/25/99/83/263259983.db2.gz GPWMGYLTHMYIJV-LRDDRELGSA-N 0 1 283.362 3.510 20 0 CHADMN CC[C@H](C)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000187706480 263266887 /nfs/dbraw/zinc/26/68/87/263266887.db2.gz LAWZLEUMTXBRRD-FZMZJTMJSA-N 0 1 287.325 3.877 20 0 CHADMN CC(C)(C)c1ccncc1CNCc1cccc2c1NCC2 ZINC000415131725 263277181 /nfs/dbraw/zinc/27/71/81/263277181.db2.gz ZIRIXKQLFQMRKX-UHFFFAOYSA-N 0 1 295.430 3.637 20 0 CHADMN CC/C=C/CCN1CCc2c(ncn2-c2ccccc2)C1 ZINC000342631944 263456688 /nfs/dbraw/zinc/45/66/88/263456688.db2.gz LFIBAVMUFXNODX-ONEGZZNKSA-N 0 1 281.403 3.587 20 0 CHADMN Cc1cnc(CN(C)[C@H](c2ccccc2C)C(C)C)n1C ZINC000342798046 263487443 /nfs/dbraw/zinc/48/74/43/263487443.db2.gz IPHSAWFXDSAIKL-SFHVURJKSA-N 0 1 285.435 3.866 20 0 CHADMN CC(C)n1cncc1CN1CCCC[C@@H]1c1cccn1C ZINC000425342153 264009172 /nfs/dbraw/zinc/00/91/72/264009172.db2.gz YGMYZOLORKLSRM-QGZVFWFLSA-N 0 1 286.423 3.530 20 0 CHADMN CC(C)n1cncc1CN1Cc2ccccc2C(C)(C)C1 ZINC000425336266 264013255 /nfs/dbraw/zinc/01/32/55/264013255.db2.gz LEJOBORMUFMPCV-UHFFFAOYSA-N 0 1 283.419 3.757 20 0 CHADMN CCC[C@H](NC(=O)c1[nH]nc(C)c1C)C1CCCCC1 ZINC000330814998 264045535 /nfs/dbraw/zinc/04/55/35/264045535.db2.gz QIMQUTSCZAHERN-AWEZNQCLSA-N 0 1 277.412 3.505 20 0 CHADMN C[C@](NC[C@@H]1CCCCC1(F)F)(C(N)=O)c1ccccc1 ZINC000331340947 264194945 /nfs/dbraw/zinc/19/49/45/264194945.db2.gz SJGWZTSRWGWZBU-DZGCQCFKSA-N 0 1 296.361 3.852 20 0 CHADMN CC(C)n1cncc1CN1CCC=C(c2ccccc2)C1 ZINC000425376045 264215350 /nfs/dbraw/zinc/21/53/50/264215350.db2.gz DMYNOWHXBZYTLF-UHFFFAOYSA-N 0 1 281.403 3.753 20 0 CHADMN Cc1cc(CN2CC(C)(C)C[C@@H]2c2ccccc2)nn1C ZINC000425376995 264215794 /nfs/dbraw/zinc/21/57/94/264215794.db2.gz ZDQOJIAYLNTSFO-QGZVFWFLSA-N 0 1 283.419 3.702 20 0 CHADMN CO[C@H](CN(Cc1ccco1)Cc1ccccc1)C1CC1 ZINC000425386068 264220841 /nfs/dbraw/zinc/22/08/41/264220841.db2.gz RCLOJXBITBVOCG-GOSISDBHSA-N 0 1 285.387 3.707 20 0 CHADMN COc1cnccc1[C@@H](C)N[C@@H]1CCc2ccc(C)cc21 ZINC000188777580 264241927 /nfs/dbraw/zinc/24/19/27/264241927.db2.gz DUGIHFKTJVXJBG-CXAGYDPISA-N 0 1 282.387 3.737 20 0 CHADMN CC(C)C(C)(C)CN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000188707283 264241985 /nfs/dbraw/zinc/24/19/85/264241985.db2.gz SANAJNCAZUTRBX-HNNXBMFYSA-N 0 1 289.398 3.910 20 0 CHADMN Clc1cc2c(s1)CCC[C@H]2NCc1cccnc1 ZINC000127433039 264258450 /nfs/dbraw/zinc/25/84/50/264258450.db2.gz WXUCZECZTORFSH-GFCCVEGCSA-N 0 1 278.808 3.964 20 0 CHADMN COc1ccc(F)cc1CNCc1ccc(Cl)s1 ZINC000189205752 264277982 /nfs/dbraw/zinc/27/79/82/264277982.db2.gz OKTXNSWEGOPSQB-UHFFFAOYSA-N 0 1 285.771 3.839 20 0 CHADMN COc1cnccc1[C@H](C)NCc1cccc(Cl)c1 ZINC000189557729 264306780 /nfs/dbraw/zinc/30/67/80/264306780.db2.gz HQEMKWVJAQBADI-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN Cc1ccc2cc(CN(C)Cc3ccco3)ccc2n1 ZINC000189560183 264307787 /nfs/dbraw/zinc/30/77/87/264307787.db2.gz FOMMTVIISXVHNO-UHFFFAOYSA-N 0 1 266.344 3.768 20 0 CHADMN CC(C)CN(Cc1nc(C(F)F)no1)CC(C)(C)C ZINC000425428831 264309411 /nfs/dbraw/zinc/30/94/11/264309411.db2.gz YDWJIMAPBCFGQM-UHFFFAOYSA-N 0 1 275.343 3.511 20 0 CHADMN CC(C)(C)[C@H]1CCCC[C@@H]1NCc1nc(C(F)F)no1 ZINC000425422054 264312723 /nfs/dbraw/zinc/31/27/23/264312723.db2.gz WJWVPSRMHOGFDO-UWVGGRQHSA-N 0 1 287.354 3.702 20 0 CHADMN COc1ccc2nc(SCc3cncc(C)c3)[nH]c2c1 ZINC000189756547 264321493 /nfs/dbraw/zinc/32/14/93/264321493.db2.gz BWXMKRDORXUCNR-UHFFFAOYSA-N 0 1 285.372 3.567 20 0 CHADMN Cc1ccncc1CN[C@H]1CCc2sc(Cl)cc21 ZINC000162626699 264327391 /nfs/dbraw/zinc/32/73/91/264327391.db2.gz DXZYBORVSBMHNL-LBPRGKRZSA-N 0 1 278.808 3.882 20 0 CHADMN CC(C)(C)c1nc(CNCCOc2ccccc2)cs1 ZINC000077169498 264349744 /nfs/dbraw/zinc/34/97/44/264349744.db2.gz DVXPSDNMYQPPIB-UHFFFAOYSA-N 0 1 290.432 3.609 20 0 CHADMN CC[C@@H]1CCCC[C@H]1NCc1nc(C2CCCC2)no1 ZINC000163362884 264351916 /nfs/dbraw/zinc/35/19/16/264351916.db2.gz LZXYRSHFGYQYPX-TZMCWYRMSA-N 0 1 277.412 3.786 20 0 CHADMN Cc1nn(C)cc1CN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000148851840 264360830 /nfs/dbraw/zinc/36/08/30/264360830.db2.gz VIIHJQNPTWYMGQ-SNVBAGLBSA-N 0 1 297.324 3.598 20 0 CHADMN Cc1csc([C@H](C)N[C@H]2CCc3ccccc32)n1 ZINC000080270676 264392496 /nfs/dbraw/zinc/39/24/96/264392496.db2.gz ALVYGGRYYWKTDY-FZMZJTMJSA-N 0 1 258.390 3.790 20 0 CHADMN CC(C)[C@@H](C)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000518833583 265071777 /nfs/dbraw/zinc/07/17/77/265071777.db2.gz FUSPVMYIHUEFLD-LLVKDONJSA-N 0 1 293.798 3.866 20 0 CHADMN Fc1cccc(CN2CCC=C(c3cccnc3)C2)c1 ZINC000347714286 265134495 /nfs/dbraw/zinc/13/44/95/265134495.db2.gz CWDQVLKXPAOOLL-UHFFFAOYSA-N 0 1 268.335 3.510 20 0 CHADMN Cc1ccccc1-n1cc(CNCCC2=CCCCC2)nn1 ZINC000519733038 265570558 /nfs/dbraw/zinc/57/05/58/265570558.db2.gz XZOUUDJNDDFYOI-UHFFFAOYSA-N 0 1 296.418 3.556 20 0 CHADMN C[C@H](NC1CCCCCC1)c1nc(C(C)(C)C)no1 ZINC000179149597 265707037 /nfs/dbraw/zinc/70/70/37/265707037.db2.gz QZHQJHGVHIGDEX-NSHDSACASA-N 0 1 265.401 3.741 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccnn1C)c1cc2ccccc2o1 ZINC000192248762 265896214 /nfs/dbraw/zinc/89/62/14/265896214.db2.gz DMAMRAXXYMPFJB-NWDGAFQWSA-N 0 1 269.348 3.578 20 0 CHADMN COc1ccnc(CN(C)[C@H](C)c2ccc(C)cc2C)c1 ZINC000520747533 265918427 /nfs/dbraw/zinc/91/84/27/265918427.db2.gz CBWJXWXHAUGXAZ-OAHLLOKOSA-N 0 1 284.403 3.900 20 0 CHADMN COc1c(O)cccc1CNCc1ccc2sccc2c1 ZINC000356240028 266080035 /nfs/dbraw/zinc/08/00/35/266080035.db2.gz BJLCOUNMECFWPT-UHFFFAOYSA-N 0 1 299.395 3.905 20 0 CHADMN CCN(Cc1ccc(SC)s1)Cc1ccncc1 ZINC000356292875 266089782 /nfs/dbraw/zinc/08/97/82/266089782.db2.gz DUQZGJVAFLXWNA-UHFFFAOYSA-N 0 1 278.446 3.887 20 0 CHADMN Cc1cn[nH]c1CN1CCC[C@@H](C)c2ccccc21 ZINC000356294677 266090315 /nfs/dbraw/zinc/09/03/15/266090315.db2.gz AIRDWPAZPMYIKM-GFCCVEGCSA-N 0 1 255.365 3.622 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccnc(SC)c1 ZINC000356865043 266197751 /nfs/dbraw/zinc/19/77/51/266197751.db2.gz LAGKHDHWHRPXPF-LBPRGKRZSA-N 0 1 287.432 3.612 20 0 CHADMN Cc1cc(-c2noc(Cc3ccsc3)n2)cc2nc[nH]c21 ZINC000356926532 266213040 /nfs/dbraw/zinc/21/30/40/266213040.db2.gz GTXHQHWXVFEEKY-UHFFFAOYSA-N 0 1 296.355 3.574 20 0 CHADMN Cc1cc(CN2CCC[C@@H](n3cccn3)C2)ccc1Cl ZINC000356995329 266227324 /nfs/dbraw/zinc/22/73/24/266227324.db2.gz PFLREMFBNDJCGX-OAHLLOKOSA-N 0 1 289.810 3.682 20 0 CHADMN CC/C=C(\C)c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000357034440 266236462 /nfs/dbraw/zinc/23/64/62/266236462.db2.gz YRAXXRJTVKBYBF-IZZDOVSWSA-N 0 1 289.354 3.751 20 0 CHADMN COc1cc(CN2CC=C(c3cccc(C)c3)CC2)ccn1 ZINC000357031981 266236598 /nfs/dbraw/zinc/23/65/98/266236598.db2.gz CZVPERFFAMSLLV-UHFFFAOYSA-N 0 1 294.398 3.688 20 0 CHADMN COC(=O)c1sccc1CN1CC[C@H](C)C2(CCC2)C1 ZINC000357049648 266238315 /nfs/dbraw/zinc/23/83/15/266238315.db2.gz YJGVBLBNAJJLKU-LBPRGKRZSA-N 0 1 293.432 3.547 20 0 CHADMN C[C@H](C1CC1)[N@@H+](Cc1ccn(C2CCCC2)n1)C1CC1 ZINC000357167732 266259658 /nfs/dbraw/zinc/25/96/58/266259658.db2.gz JPYBUERCOAHLCI-CYBMUJFWSA-N 0 1 273.424 3.761 20 0 CHADMN C[C@H](C1CC1)N(Cc1ccn(C2CCCC2)n1)C1CC1 ZINC000357167732 266259659 /nfs/dbraw/zinc/25/96/59/266259659.db2.gz JPYBUERCOAHLCI-CYBMUJFWSA-N 0 1 273.424 3.761 20 0 CHADMN CC[C@@H]1CCCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000357183998 266260771 /nfs/dbraw/zinc/26/07/71/266260771.db2.gz SZNOCDAARDFATQ-CQSZACIVSA-N 0 1 261.413 3.620 20 0 CHADMN Cc1cnc(CN(CCc2ccc(F)cc2)C2CC2)s1 ZINC000357303321 266273688 /nfs/dbraw/zinc/27/36/88/266273688.db2.gz GTTMEIRPAZXTEA-UHFFFAOYSA-N 0 1 290.407 3.798 20 0 CHADMN Cc1ccc(-c2cc(-c3nc(CCC4CC4)no3)[nH]n2)cc1 ZINC000357662930 266341426 /nfs/dbraw/zinc/34/14/26/266341426.db2.gz ICRUTYFBUDPKIW-UHFFFAOYSA-N 0 1 294.358 3.778 20 0 CHADMN CCCc1nc(CN2CCC[C@H](C)[C@H]2C)cs1 ZINC000357717322 266350836 /nfs/dbraw/zinc/35/08/36/266350836.db2.gz QFDOBMGLAFZZGY-NWDGAFQWSA-N 0 1 252.427 3.716 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1CCC[C@H](C)[C@H]1C ZINC000357734055 266352486 /nfs/dbraw/zinc/35/24/86/266352486.db2.gz QTWRBBDYUCHXFD-QWHCGFSZSA-N 0 1 289.398 3.816 20 0 CHADMN Cc1ncc([C@H](C)NCc2ccc(C3CC3)cc2)c(C)n1 ZINC000357783585 266361834 /nfs/dbraw/zinc/36/18/34/266361834.db2.gz DWOKNANKICHAMT-LBPRGKRZSA-N 0 1 281.403 3.822 20 0 CHADMN CCCN(Cc1csc(C2CCCC2)n1)CC(C)(C)O ZINC000357974663 266392549 /nfs/dbraw/zinc/39/25/49/266392549.db2.gz NECSUTOEHCYAOL-UHFFFAOYSA-N 0 1 296.480 3.784 20 0 CHADMN CCCOc1cccc(CN[C@H](C)c2cncc(F)c2)c1 ZINC000358000009 266395080 /nfs/dbraw/zinc/39/50/80/266395080.db2.gz BGCLNRGOFYPLIR-CYBMUJFWSA-N 0 1 288.366 3.860 20 0 CHADMN Cc1occc1CN[C@H]1CC(C)(C)Oc2ccccc21 ZINC000358008015 266396105 /nfs/dbraw/zinc/39/61/05/266396105.db2.gz AMNDDSFSDAXIAL-HNNXBMFYSA-N 0 1 271.360 3.980 20 0 CHADMN CC[C@H](NCc1ccoc1C)c1ccc2c(c1)OCCO2 ZINC000358022312 266399740 /nfs/dbraw/zinc/39/97/40/266399740.db2.gz OHYJMFWQNAOJTA-HNNXBMFYSA-N 0 1 287.359 3.600 20 0 CHADMN C[C@@H](N[C@@H](c1cccnc1)C1CC1)c1ccc(Cl)cn1 ZINC000359627407 266609077 /nfs/dbraw/zinc/60/90/77/266609077.db2.gz CFNCWKHJGZGZJC-BDJLRTHQSA-N 0 1 287.794 3.932 20 0 CHADMN CCN(C)c1ccc(CN(Cc2ccco2)C(C)C)cn1 ZINC000361502521 266834802 /nfs/dbraw/zinc/83/48/02/266834802.db2.gz XQPZPOYXXFMQNV-UHFFFAOYSA-N 0 1 287.407 3.541 20 0 CHADMN COc1ccsc1CN1CCc2cc(C)ccc2C1 ZINC000361724222 266875348 /nfs/dbraw/zinc/87/53/48/266875348.db2.gz BHUAMSKRUHMVMB-UHFFFAOYSA-N 0 1 273.401 3.623 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)NCc2ccsc2Cl)n[nH]1 ZINC000362922101 267060882 /nfs/dbraw/zinc/06/08/82/267060882.db2.gz BPIASKXUCFFDDI-IUCAKERBSA-N 0 1 298.843 3.884 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2ccsc2Cl)n[nH]1 ZINC000362922100 267061302 /nfs/dbraw/zinc/06/13/02/267061302.db2.gz BPIASKXUCFFDDI-DTWKUNHWSA-N 0 1 298.843 3.884 20 0 CHADMN COCCSCCC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000362963337 267068639 /nfs/dbraw/zinc/06/86/39/267068639.db2.gz LDEKTCIPRJEYNI-UHFFFAOYSA-N 0 1 287.856 3.542 20 0 CHADMN CCOc1ccccc1[C@H](CC)N[C@H]1CCCc2n[nH]cc21 ZINC000367535013 267097300 /nfs/dbraw/zinc/09/73/00/267097300.db2.gz ZTCLWUCCFPYWER-HOTGVXAUSA-N 0 1 299.418 3.927 20 0 CHADMN Cc1c[nH]nc1CN(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000367956513 267130654 /nfs/dbraw/zinc/13/06/54/267130654.db2.gz BRWAMGZDHRAZMA-KRWDZBQOSA-N 0 1 298.434 3.649 20 0 CHADMN Cc1c[nH]nc1CN(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000367956514 267130715 /nfs/dbraw/zinc/13/07/15/267130715.db2.gz BRWAMGZDHRAZMA-QGZVFWFLSA-N 0 1 298.434 3.649 20 0 CHADMN Cc1cn[nH]c1CNc1cc(-c2ccccc2)cnc1C ZINC000368080650 267144818 /nfs/dbraw/zinc/14/48/18/267144818.db2.gz GKHZPDXGAUKCKM-UHFFFAOYSA-N 0 1 278.359 3.701 20 0 CHADMN Cc1cccc([C@H]2CCCCCN2Cc2nccn2C)c1 ZINC000117897846 267225286 /nfs/dbraw/zinc/22/52/86/267225286.db2.gz MWGTVYAKDBMZID-QGZVFWFLSA-N 0 1 283.419 3.846 20 0 CHADMN Cc1noc(CN2CCCCC[C@H]2c2cccc(C)c2)n1 ZINC000117897871 267225759 /nfs/dbraw/zinc/22/57/59/267225759.db2.gz MITPJWSAQZFVLP-INIZCTEOSA-N 0 1 285.391 3.804 20 0 CHADMN CSc1ccc(CNCc2ccccc2F)cc1 ZINC000020091180 267271642 /nfs/dbraw/zinc/27/16/42/267271642.db2.gz SVSVFEBBHAYZOR-UHFFFAOYSA-N 0 1 261.365 3.837 20 0 CHADMN c1[nH]nc2c1CN(C1c3ccccc3-c3ccccc31)CC2 ZINC000118853164 267274436 /nfs/dbraw/zinc/27/44/36/267274436.db2.gz UYCDNNWQXZVHAM-UHFFFAOYSA-N 0 1 287.366 3.538 20 0 CHADMN CCOc1cc(C)ccc1CN[C@@H](C)c1cncc(F)c1 ZINC000119251474 267313121 /nfs/dbraw/zinc/31/31/21/267313121.db2.gz AVVXAOAUDNJZQD-ZDUSSCGKSA-N 0 1 288.366 3.779 20 0 CHADMN C[C@@H](N[C@@H](C)C1CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000370597922 267329815 /nfs/dbraw/zinc/32/98/15/267329815.db2.gz HEUPXSFZEQSCHF-VHSXEESVSA-N 0 1 291.782 3.839 20 0 CHADMN COc1cccc2c1OCC[C@H]2N[C@H](C)c1cccc(O)c1 ZINC000370636834 267333880 /nfs/dbraw/zinc/33/38/80/267333880.db2.gz SDWNXZVRPIUNEI-MLGOLLRUSA-N 0 1 299.370 3.575 20 0 CHADMN CCn1cncc1CN[C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000418133383 267359030 /nfs/dbraw/zinc/35/90/30/267359030.db2.gz FVADZVBXGMRCPR-MLGOLLRUSA-N 0 1 289.810 3.581 20 0 CHADMN CCCC[C@@H](COC)NCc1ncoc1-c1ccccc1 ZINC000371290694 267383955 /nfs/dbraw/zinc/38/39/55/267383955.db2.gz VSWOFEZOWAPZQR-HNNXBMFYSA-N 0 1 288.391 3.636 20 0 CHADMN Cc1ccccc1[C@@]1(F)CCN(CCc2ccccn2)C1 ZINC000374294372 267775131 /nfs/dbraw/zinc/77/51/31/267775131.db2.gz RSAVNWQQKUBBKE-GOSISDBHSA-N 0 1 284.378 3.503 20 0 CHADMN CCc1ccc([C@@H](C)N[C@H](CCO)c2ccccc2)o1 ZINC000305176521 267889884 /nfs/dbraw/zinc/88/98/84/267889884.db2.gz VJFBOWFGDILYFE-CZUORRHYSA-N 0 1 273.376 3.616 20 0 CHADMN CCc1ccc([C@H](C)N[C@H](CCO)c2ccccc2)o1 ZINC000305176522 267889989 /nfs/dbraw/zinc/88/99/89/267889989.db2.gz VJFBOWFGDILYFE-XJKSGUPXSA-N 0 1 273.376 3.616 20 0 CHADMN CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000122769789 267923960 /nfs/dbraw/zinc/92/39/60/267923960.db2.gz UDKSSJLHDBJSFR-WFASDCNBSA-N 0 1 285.391 3.604 20 0 CHADMN CCn1c2ccc(F)cc2nc1CN1[C@@H](C)CC[C@@H]1C ZINC000123228563 268017250 /nfs/dbraw/zinc/01/72/50/268017250.db2.gz XRICHBGLEAGOJA-RYUDHWBXSA-N 0 1 275.371 3.568 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1csc(C(C)(C)C)n1 ZINC000123223723 268017387 /nfs/dbraw/zinc/01/73/87/268017387.db2.gz CNDASXCRFYSCBY-PHIMTYICSA-N 0 1 252.427 3.813 20 0 CHADMN CC(C)c1ccccc1NC(=O)CN1CCC2(CCC2)C1 ZINC000123283146 268021193 /nfs/dbraw/zinc/02/11/93/268021193.db2.gz SIFUVFVARGZEGS-UHFFFAOYSA-N 0 1 286.419 3.625 20 0 CHADMN CS[C@@H]1CC[C@H]1NCc1c(Cl)cccc1Cl ZINC000381576048 327615416 /nfs/dbraw/zinc/61/54/16/327615416.db2.gz ZZUABCPFXFOHNM-VXGBXAGGSA-N 0 1 276.232 3.977 20 0 CHADMN C[C@H](N[C@H]1CCc2c1cccc2F)c1cn2ccccc2n1 ZINC000570862681 327628394 /nfs/dbraw/zinc/62/83/94/327628394.db2.gz JERIERAJKMEADW-LRDDRELGSA-N 0 1 295.361 3.812 20 0 CHADMN C[C@@H](N[C@@H]1COC(C)(C)C1)c1c(F)cccc1Cl ZINC000396590293 328824710 /nfs/dbraw/zinc/82/47/10/328824710.db2.gz PEFPNIMSAVGJGM-ZJUUUORDSA-N 0 1 271.763 3.697 20 0 CHADMN C[C@H]1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)[C@H]1C ZINC000175269499 327664582 /nfs/dbraw/zinc/66/45/82/327664582.db2.gz IFXQOGPWPIOHIQ-YUMQZZPRSA-N 0 1 288.174 3.570 20 0 CHADMN COc1cnccc1[C@@H](C)NCc1ccc(C(F)F)cc1 ZINC000187082055 327709116 /nfs/dbraw/zinc/70/91/16/327709116.db2.gz LTSGDXGWFAUTNC-LLVKDONJSA-N 0 1 292.329 3.879 20 0 CHADMN C/C(=C\c1ccccc1)CN[C@H](c1ccccc1F)[C@@H](C)O ZINC000565308196 327866034 /nfs/dbraw/zinc/86/60/34/327866034.db2.gz QJJYMYFXMRVMIB-ZJHWQJMHSA-N 0 1 299.389 3.941 20 0 CHADMN COc1ccc(C)cc1CNC1(c2ccc(F)cc2)CC1 ZINC000531206455 327889614 /nfs/dbraw/zinc/88/96/14/327889614.db2.gz VHCSHTMIRFJXHQ-UHFFFAOYSA-N 0 1 285.362 3.922 20 0 CHADMN C[C@H](NCc1cncs1)c1ccc(Cl)s1 ZINC000054770766 327903604 /nfs/dbraw/zinc/90/36/04/327903604.db2.gz ARBBRAXXNZJMLN-ZETCQYMHSA-N 0 1 258.799 3.709 20 0 CHADMN Cc1csc(CNCc2cc(F)c(F)c(F)c2)c1 ZINC000379090526 327947493 /nfs/dbraw/zinc/94/74/93/327947493.db2.gz DLBMDOAGWVOIPU-UHFFFAOYSA-N 0 1 271.307 3.764 20 0 CHADMN O=C([O-])[C@H](c1ccccc1F)[N@H+]1CCC2(C1)CCCCC2 ZINC000563284684 328008591 /nfs/dbraw/zinc/00/85/91/328008591.db2.gz YHQLWCXSQPGMKU-HNNXBMFYSA-N 0 1 291.366 3.608 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@H](C)c2ccc(C(=O)[O-])o2)s1 ZINC000563278149 328006583 /nfs/dbraw/zinc/00/65/83/328006583.db2.gz GHKBEZUNTPPSRI-SNVBAGLBSA-N 0 1 279.361 3.541 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@@H](C)c2ccc(C(=O)[O-])o2)s1 ZINC000563278148 328006715 /nfs/dbraw/zinc/00/67/15/328006715.db2.gz GHKBEZUNTPPSRI-JTQLQIEISA-N 0 1 279.361 3.541 20 0 CHADMN CC[N@@H+](Cc1ccoc1C(=O)[O-])Cc1cccc(Cl)c1 ZINC000563277626 328006729 /nfs/dbraw/zinc/00/67/29/328006729.db2.gz JLFOWDJNIFPCIZ-UHFFFAOYSA-N 0 1 293.750 3.653 20 0 CHADMN C[C@@H]1C[N@@H+](CCCCCC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000563283025 328008693 /nfs/dbraw/zinc/00/86/93/328008693.db2.gz LZQCAWZZACJPAM-NVXWUHKLSA-N 0 1 289.419 3.757 20 0 CHADMN CC[C@H](CC(F)(F)F)NCc1ncc(CSC)s1 ZINC000339349048 328007739 /nfs/dbraw/zinc/00/77/39/328007739.db2.gz LUBZTJSNDFWASD-MRVPVSSYSA-N 0 1 298.399 3.827 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@H](c2ccccc2)C(C)C)n1 ZINC000339390195 328009039 /nfs/dbraw/zinc/00/90/39/328009039.db2.gz JHVPWRXKMZBUMB-GJZGRUSLSA-N 0 1 287.407 3.903 20 0 CHADMN Fc1ccc(Br)c(CN2C[C@@H]3CCC[C@H]3C2)c1 ZINC000531548498 328014727 /nfs/dbraw/zinc/01/47/27/328014727.db2.gz PVMJYMYETLHFFI-QWRGUYRKSA-N 0 1 298.199 3.820 20 0 CHADMN CCN(Cc1nc(C(C)(C)C)cs1)C1CCC1 ZINC000531526292 328015017 /nfs/dbraw/zinc/01/50/17/328015017.db2.gz XWBGZEGZBOJDJU-UHFFFAOYSA-N 0 1 252.427 3.815 20 0 CHADMN CC(C)CCC[C@H](C)N(CCC(C)C)Cc1nncn1C ZINC000534106993 328035814 /nfs/dbraw/zinc/03/58/14/328035814.db2.gz FFTZTDFMXICXCK-INIZCTEOSA-N 0 1 294.487 3.878 20 0 CHADMN CC(=O)c1cc(CN2CCCC3(CCCCC3)CC2)on1 ZINC000563353592 328057467 /nfs/dbraw/zinc/05/74/67/328057467.db2.gz KCNTZIXRVVQJDY-UHFFFAOYSA-N 0 1 290.407 3.814 20 0 CHADMN Cc1nsc(C)c1CN1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000563356699 328058030 /nfs/dbraw/zinc/05/80/30/328058030.db2.gz UHYKGOGCRSQDBJ-BXKDBHETSA-N 0 1 292.370 3.923 20 0 CHADMN Cc1nc(CN[C@@H](C)CSc2ccc(C)cc2)[nH]c1C ZINC000563439960 328065624 /nfs/dbraw/zinc/06/56/24/328065624.db2.gz NLSUXBJXVWSFQE-LBPRGKRZSA-N 0 1 289.448 3.605 20 0 CHADMN Cc1ccc(F)cc1CN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000563483914 328069161 /nfs/dbraw/zinc/06/91/61/328069161.db2.gz VQBLXXIWOZLIFJ-HOTGVXAUSA-N 0 1 277.383 3.524 20 0 CHADMN CN(C/C=C\c1ccc(F)cc1)Cc1cc(Cl)cn1C ZINC000571270969 328096683 /nfs/dbraw/zinc/09/66/83/328096683.db2.gz RCAVZTGVKRHZCN-ARJAWSKDSA-N 0 1 292.785 3.963 20 0 CHADMN CCCc1noc(-c2cc(-c3ccc(C)cc3C)n[nH]2)n1 ZINC000571243999 328094866 /nfs/dbraw/zinc/09/48/66/328094866.db2.gz QRUHHYONGJGDTH-UHFFFAOYSA-N 0 1 282.347 3.696 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1CC(C)(C)C[C@@H]1C ZINC000412043943 328102677 /nfs/dbraw/zinc/10/26/77/328102677.db2.gz OGHDLANIUMILIA-WDEREUQCSA-N 0 1 291.420 3.980 20 0 CHADMN CCN(Cc1ccncc1Cl)C1CC(C)(C)C1 ZINC000412044101 328102763 /nfs/dbraw/zinc/10/27/63/328102763.db2.gz XFQNIUOTJZGTJX-UHFFFAOYSA-N 0 1 252.789 3.746 20 0 CHADMN Clc1cc2c(s1)CCN(C[C@H]1CCSC1)C2 ZINC000571326345 328107504 /nfs/dbraw/zinc/10/75/04/328107504.db2.gz MBPHFSSDXHIGCC-SECBINFHSA-N 0 1 273.854 3.513 20 0 CHADMN Cc1ccc(F)cc1CN[C@@H]1c2ccccc2O[C@H]1C ZINC000571440909 328122091 /nfs/dbraw/zinc/12/20/91/328122091.db2.gz NXMWDQDFLCIFPB-SJCJKPOMSA-N 0 1 271.335 3.746 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1CCC(CC)CC1 ZINC000048349368 328130694 /nfs/dbraw/zinc/13/06/94/328130694.db2.gz SANDRZAEKXCXIB-UHFFFAOYSA-N 0 1 289.419 3.910 20 0 CHADMN COc1cc2c(cc1F)nccc2N[C@H]1CS[C@H](C)C1 ZINC000413518174 328148039 /nfs/dbraw/zinc/14/80/39/328148039.db2.gz NDSQWOJYJJOFIZ-NXEZZACHSA-N 0 1 292.379 3.688 20 0 CHADMN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1ccc(Cl)cn1 ZINC000414351362 328155852 /nfs/dbraw/zinc/15/58/52/328155852.db2.gz RNOOCRVDDXBURC-IRUJWGPZSA-N 0 1 262.740 3.535 20 0 CHADMN CCc1ncc(CN[C@H](C)c2ccc(SC)cc2)cn1 ZINC000414442730 328170904 /nfs/dbraw/zinc/17/09/04/328170904.db2.gz HLPFJMQUSLRZDF-GFCCVEGCSA-N 0 1 287.432 3.612 20 0 CHADMN Cc1ccc(CN[C@@H]2CC(C)(C)CCc3ccccc32)nn1 ZINC000414444036 328171442 /nfs/dbraw/zinc/17/14/42/328171442.db2.gz FAQFPMHRGBUTPD-GOSISDBHSA-N 0 1 295.430 3.978 20 0 CHADMN Cc1occc1CNc1ccc(Cl)c(CN(C)C)c1 ZINC000414446626 328174481 /nfs/dbraw/zinc/17/44/81/328174481.db2.gz OLLOCZNHOGCXQU-UHFFFAOYSA-N 0 1 278.783 3.915 20 0 CHADMN O[C@@H]1C[C@@H](c2ccccc2)N(Cc2cc(Cl)cs2)C1 ZINC000414492501 328187410 /nfs/dbraw/zinc/18/74/10/328187410.db2.gz ZDSYCHHJHUTJSI-HIFRSBDPSA-N 0 1 293.819 3.709 20 0 CHADMN CCC[C@H](NCc1ccc(F)cn1)c1ccccc1 ZINC000269017269 328188593 /nfs/dbraw/zinc/18/85/93/328188593.db2.gz ORMFOMLANZSQKO-INIZCTEOSA-N 0 1 258.340 3.852 20 0 CHADMN Cc1nnsc1CN[C@@H](c1ccccc1)C(C)(C)C ZINC000394838235 329151123 /nfs/dbraw/zinc/15/11/23/329151123.db2.gz ILIQGZUQZFSPQB-AWEZNQCLSA-N 0 1 275.421 3.724 20 0 CHADMN Cc1cccc2c1[C@H](C)C[C@H]2NCc1cn2ccccc2n1 ZINC000271139619 328195277 /nfs/dbraw/zinc/19/52/77/328195277.db2.gz NZJKGABCGQBLNL-RHSMWYFYSA-N 0 1 291.398 3.981 20 0 CHADMN CCC[C@]1(C)CCCN(Cc2nccn2C(C)C)C1 ZINC000174001601 329156731 /nfs/dbraw/zinc/15/67/31/329156731.db2.gz MDGTYHDQONPTGJ-MRXNPFEDSA-N 0 1 263.429 3.866 20 0 CHADMN COCC[C@@H](NCc1cccc2cc[nH]c21)c1ccc(C)o1 ZINC000272280069 328199172 /nfs/dbraw/zinc/19/91/72/328199172.db2.gz LJCMHMFOVNRNHK-MRXNPFEDSA-N 0 1 298.386 3.937 20 0 CHADMN CCC[C@](C)(CC)c1nc([C@H](N)CC(C)C)no1 ZINC000414612293 328201315 /nfs/dbraw/zinc/20/13/15/328201315.db2.gz DKRMNVRXKTZHCH-RISCZKNCSA-N 0 1 253.390 3.583 20 0 CHADMN CC1=C[C@@H](C)CN([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000430283899 328214188 /nfs/dbraw/zinc/21/41/88/328214188.db2.gz JURJVPCLZPUVAD-OCCSQVGLSA-N 0 1 283.375 3.696 20 0 CHADMN CCC[C@@H](NCc1cnn(CC)c1)c1ccsc1 ZINC000276887600 328219845 /nfs/dbraw/zinc/21/98/45/328219845.db2.gz GZIJERDSMIEIEQ-CQSZACIVSA-N 0 1 263.410 3.596 20 0 CHADMN Cc1cnc(C2CCN(Cc3cncc(C)c3)CC2)s1 ZINC000277568305 328221441 /nfs/dbraw/zinc/22/14/41/328221441.db2.gz XVASSRSUIGHCOX-UHFFFAOYSA-N 0 1 287.432 3.535 20 0 CHADMN CC(C)c1cnc(CN2CCC3(CCC3)C2)s1 ZINC000183078207 329247067 /nfs/dbraw/zinc/24/70/67/329247067.db2.gz SGCAVQVHWQCLEX-UHFFFAOYSA-N 0 1 250.411 3.643 20 0 CHADMN Cc1noc([C@@H]2CCCN2CC[C@H](C)c2ccccc2)n1 ZINC000289948828 328256782 /nfs/dbraw/zinc/25/67/82/328256782.db2.gz XRJLWORVWOMRIX-BBRMVZONSA-N 0 1 285.391 3.709 20 0 CHADMN Cc1sccc1CNC1(c2ccccc2F)CC1 ZINC000293451681 328276240 /nfs/dbraw/zinc/27/62/40/328276240.db2.gz CNDPRESNUHDHCU-UHFFFAOYSA-N 0 1 261.365 3.975 20 0 CHADMN Cc1nc(C(C)C)ccc1CN[C@H]1CCc2c1cccc2O ZINC000296996490 328293036 /nfs/dbraw/zinc/29/30/36/328293036.db2.gz ZSYDQRQMSKCWNX-SFHVURJKSA-N 0 1 296.414 3.996 20 0 CHADMN CC[C@H](CN[C@@H]1C[C@H](C)n2ccnc21)Oc1ccccc1C ZINC000297050346 328293359 /nfs/dbraw/zinc/29/33/59/328293359.db2.gz VNUQLNZRANFSOR-ARFHVFGLSA-N 0 1 299.418 3.645 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000187778602 328302962 /nfs/dbraw/zinc/30/29/62/328302962.db2.gz WHGSLXUHUBQYGS-ZFWWWQNUSA-N 0 1 299.418 3.984 20 0 CHADMN COc1cc(C)nc(CSc2nc3ccc(C)cc3[nH]2)c1 ZINC000534520081 328305290 /nfs/dbraw/zinc/30/52/90/328305290.db2.gz XEJKVJIEBZKSCG-UHFFFAOYSA-N 0 1 299.399 3.876 20 0 CHADMN CCOc1cccc(CNC(C)(C)c2ccccc2)n1 ZINC000531912843 328314176 /nfs/dbraw/zinc/31/41/76/328314176.db2.gz YTWIUTMJBCPXFO-UHFFFAOYSA-N 0 1 270.376 3.505 20 0 CHADMN C[C@H](NCc1ccc(N2CCCCC2)nc1)c1ccoc1 ZINC000531937280 328321987 /nfs/dbraw/zinc/32/19/87/328321987.db2.gz SXCXDMAKELNVBT-AWEZNQCLSA-N 0 1 285.391 3.516 20 0 CHADMN CC[C@H](C)[C@H](C)N[C@H](c1nccn1C)c1ccccc1 ZINC000531942526 328325432 /nfs/dbraw/zinc/32/54/32/328325432.db2.gz HRXBNGUKFZVGEH-DZKIICNBSA-N 0 1 271.408 3.534 20 0 CHADMN Cc1noc(C)c1CN[C@H](CC1CC1)c1ccccc1 ZINC000531950645 328328049 /nfs/dbraw/zinc/32/80/49/328328049.db2.gz PLRYXELQNMGFAD-QGZVFWFLSA-N 0 1 270.376 3.922 20 0 CHADMN CC(C)CCN1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000534663633 328351545 /nfs/dbraw/zinc/35/15/45/328351545.db2.gz HLOKWGFGTPJKJN-HNNXBMFYSA-N 0 1 299.361 3.707 20 0 CHADMN CCc1noc([C@H](C)N2CCC[C@@H](C(C)(C)C)CC2)n1 ZINC000303681291 328357654 /nfs/dbraw/zinc/35/76/54/328357654.db2.gz RXPLQMUQSYWLIF-QWHCGFSZSA-N 0 1 279.428 3.841 20 0 CHADMN CCCN(C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000049480643 328364787 /nfs/dbraw/zinc/36/47/87/328364787.db2.gz ORGFWBQYUIYECS-VIFPVBQESA-N 0 1 289.206 3.662 20 0 CHADMN Oc1ccc(CNCc2cccc(Cl)c2Cl)cc1 ZINC000101600258 328360600 /nfs/dbraw/zinc/36/06/00/328360600.db2.gz MPOZJYJDIODKJY-UHFFFAOYSA-N 0 1 282.170 3.989 20 0 CHADMN C[C@@H](NCCOC1CCCCC1)c1cc(F)ccc1F ZINC000111635459 328370035 /nfs/dbraw/zinc/37/00/35/328370035.db2.gz HFWCIMLFKPRHKK-GFCCVEGCSA-N 0 1 283.362 3.965 20 0 CHADMN Cc1cc(C)cc(N(C)C(=O)c2ccc(O)c(Cl)c2)c1 ZINC000049973274 328380687 /nfs/dbraw/zinc/38/06/87/328380687.db2.gz VGJAGPJGRJKUKL-UHFFFAOYSA-N 0 1 289.762 3.939 20 0 CHADMN COc1ccc(CNCc2cc(C)ccc2C)c(OC)c1 ZINC000070141343 328397004 /nfs/dbraw/zinc/39/70/04/328397004.db2.gz BZGWMHKJRVHCPC-UHFFFAOYSA-N 0 1 285.387 3.610 20 0 CHADMN COCC1CCN([C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000112354543 328400112 /nfs/dbraw/zinc/40/01/12/328400112.db2.gz TYYDYVLXGWIZHA-LLVKDONJSA-N 0 1 285.790 3.899 20 0 CHADMN Fc1ccc2c(c1)nccc2N1CCC2(CCC2)C1 ZINC000131322177 328493680 /nfs/dbraw/zinc/49/36/80/328493680.db2.gz BMYQIEOBGBPXRC-UHFFFAOYSA-N 0 1 256.324 3.754 20 0 CHADMN Fc1cccc2c1CCC[C@@H]2NCc1ccc2c(n1)CCC2 ZINC000556787389 326964636 /nfs/dbraw/zinc/96/46/36/326964636.db2.gz VISTYWJEVOWDHG-IBGZPJMESA-N 0 1 296.389 3.877 20 0 CHADMN COc1ccc(CN2C3CCC2CC3)c(Br)c1 ZINC000584105650 326970303 /nfs/dbraw/zinc/97/03/03/326970303.db2.gz JPSBCEVDVYXBNI-UHFFFAOYSA-N 0 1 296.208 3.585 20 0 CHADMN C[N@@H+](CCC1CCCCC1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000568535303 327002636 /nfs/dbraw/zinc/00/26/36/327002636.db2.gz YQZDEDJZXYPIPZ-UHFFFAOYSA-N 0 1 293.382 3.926 20 0 CHADMN CC[C@@H]1CCC[C@H](C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])C1 ZINC000263306010 327013511 /nfs/dbraw/zinc/01/35/11/327013511.db2.gz FEEXTJWXKGNHNY-HMDCTGQHSA-N 0 1 293.451 3.921 20 0 CHADMN OC[C@@H]1CCCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000339747870 327015119 /nfs/dbraw/zinc/01/51/19/327015119.db2.gz BXOIHFRADHOWNO-LLVKDONJSA-N 0 1 288.218 3.588 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@@H](C)Cc3ccccc3)[nH]c2c1 ZINC000557807840 327028286 /nfs/dbraw/zinc/02/82/86/327028286.db2.gz PRJQPPLDLOQZRS-ZDUSSCGKSA-N 0 1 293.370 3.689 20 0 CHADMN Cn1ccc(CN[C@H](c2cccc(F)c2)C2CCCC2)n1 ZINC000557830744 327029990 /nfs/dbraw/zinc/02/99/90/327029990.db2.gz JSMFCGIHCAGLAV-KRWDZBQOSA-N 0 1 287.382 3.580 20 0 CHADMN Cc1cccc(C)c1CN[C@@H](c1ccccc1F)[C@@H](C)O ZINC000565839162 327033678 /nfs/dbraw/zinc/03/36/78/327033678.db2.gz XNTYXQJBVDUNJU-RDTXWAMCSA-N 0 1 287.378 3.654 20 0 CHADMN C[C@@H]1C[C@@H]1[C@@H](NCc1cnccn1)c1ccc(Cl)cc1 ZINC000584158487 327052740 /nfs/dbraw/zinc/05/27/40/327052740.db2.gz HUSNNQNZTJRBDW-RLCCDNCMSA-N 0 1 287.794 3.617 20 0 CHADMN C[C@@H]1CCCN1Cc1cc(F)c(C(F)(F)F)cc1F ZINC000558097877 327073655 /nfs/dbraw/zinc/07/36/55/327073655.db2.gz ARLZESSNAHJFTD-MRVPVSSYSA-N 0 1 279.252 3.968 20 0 CHADMN C[C@H]1CN(Cc2ccc(Cl)cn2)CC(C)(C)C1 ZINC000558168923 327077339 /nfs/dbraw/zinc/07/73/39/327077339.db2.gz BXSHXJQUSVDCMT-LLVKDONJSA-N 0 1 252.789 3.603 20 0 CHADMN CC[C@@H]1CC[C@@H]1N[C@@H](c1ccccn1)c1ccccc1OC ZINC000558253139 327082336 /nfs/dbraw/zinc/08/23/36/327082336.db2.gz WDYIHOGQNATONK-SIXWZSSISA-N 0 1 296.414 3.958 20 0 CHADMN CCO[C@H]1C[C@@H](Nc2ccc3c(c2)nc(C)n3C)C12CCC2 ZINC000558291038 327085693 /nfs/dbraw/zinc/08/56/93/327085693.db2.gz DMYKIEAANFICBA-SJORKVTESA-N 0 1 299.418 3.641 20 0 CHADMN CCCn1c2ccccc2nc1CN(CC)C(C)C ZINC000126357781 327097688 /nfs/dbraw/zinc/09/76/88/327097688.db2.gz YBBKCHKNICYRGR-UHFFFAOYSA-N 0 1 259.397 3.677 20 0 CHADMN COCC[C@H](C)N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000558746440 327119073 /nfs/dbraw/zinc/11/90/73/327119073.db2.gz WDQFEPRSTODGDI-SWLSCSKDSA-N 0 1 285.790 3.636 20 0 CHADMN COCC[C@H](C)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000558746442 327119084 /nfs/dbraw/zinc/11/90/84/327119084.db2.gz WDQFEPRSTODGDI-WFASDCNBSA-N 0 1 285.790 3.636 20 0 CHADMN Fc1cccc(CN2CCS[C@@H]3CCCC[C@H]32)c1F ZINC000530992699 327121445 /nfs/dbraw/zinc/12/14/45/327121445.db2.gz DNJZJGGRDLMWAP-ZIAGYGMSSA-N 0 1 283.387 3.825 20 0 CHADMN CCCCn1cc(CNCc2csc(C)c2)c(C)n1 ZINC000449207217 327131261 /nfs/dbraw/zinc/13/12/61/327131261.db2.gz QQFVSUFXSCVJCF-UHFFFAOYSA-N 0 1 277.437 3.651 20 0 CHADMN FC(F)(F)[C@@H]1CCN(CC2(F)CC2)CC12CCC2 ZINC000559080299 327140691 /nfs/dbraw/zinc/14/06/91/327140691.db2.gz BFBIVFSHZUXIPA-SNVBAGLBSA-N 0 1 265.294 3.543 20 0 CHADMN Fc1cccc(C[N@H+]2CCC[C@H]2C2CCOCC2)c1Cl ZINC000559148806 327143481 /nfs/dbraw/zinc/14/34/81/327143481.db2.gz ZITSTIRPVNRTAM-HNNXBMFYSA-N 0 1 297.801 3.870 20 0 CHADMN Cc1ccccc1[C@H](CO)NCc1ccc(C(C)C)nc1C ZINC000559149968 327143909 /nfs/dbraw/zinc/14/39/09/327143909.db2.gz PTCOXFFVLORIFC-IBGZPJMESA-N 0 1 298.430 3.645 20 0 CHADMN COc1cc(F)cc(CN[C@H](C)c2ccccc2F)c1 ZINC000093899246 327146123 /nfs/dbraw/zinc/14/61/23/327146123.db2.gz QISKSWHLAPAPSG-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN O=C([O-])c1ccccc1C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000564464583 327148748 /nfs/dbraw/zinc/14/87/48/327148748.db2.gz WLLYCZWOSXWGGK-UHFFFAOYSA-N 0 1 299.345 3.689 20 0 CHADMN COc1ccc(F)c(CN[C@H]2CCc3cc(C)ccc32)c1 ZINC000559253019 327150721 /nfs/dbraw/zinc/15/07/21/327150721.db2.gz STAMBSQCNUFSSF-SFHVURJKSA-N 0 1 285.362 3.920 20 0 CHADMN Fc1ccc(CN2CC[C@@H](Nc3ccccc3)C2)c(F)c1 ZINC000084862049 327150915 /nfs/dbraw/zinc/15/09/15/327150915.db2.gz CJRXUVBUIHBELI-MRXNPFEDSA-N 0 1 288.341 3.651 20 0 CHADMN O[C@H](CN[C@H](c1ccco1)c1ccccc1)CC1CCCC1 ZINC000564651598 327153408 /nfs/dbraw/zinc/15/34/08/327153408.db2.gz QZGYEXPMHQLXHH-HKUYNNGSSA-N 0 1 299.414 3.900 20 0 CHADMN C[C@H]1C[C@@H](O)CCN1Cc1cnc(C2CCCCC2)s1 ZINC000559305065 327157127 /nfs/dbraw/zinc/15/71/27/327157127.db2.gz KYJCIYGRXVNMKR-JSGCOSHPSA-N 0 1 294.464 3.536 20 0 CHADMN CN(CC(=O)Nc1cc(Cl)ccc1Cl)C(C)(C)C ZINC000564928804 327158193 /nfs/dbraw/zinc/15/81/93/327158193.db2.gz IYSXMYHUPLXBPU-UHFFFAOYSA-N 0 1 289.206 3.662 20 0 CHADMN CC(C)COCCN(C)Cc1ccc(Cl)s1 ZINC000409444622 327162001 /nfs/dbraw/zinc/16/20/01/327162001.db2.gz LYWQYRXVNJNNLA-UHFFFAOYSA-N 0 1 261.818 3.506 20 0 CHADMN CC(C)Oc1ccc(CN2C[C@H](C)[C@@H]2C)cc1Cl ZINC000559350970 327166834 /nfs/dbraw/zinc/16/68/34/327166834.db2.gz WFXHVDZIAPRUNL-RYUDHWBXSA-N 0 1 267.800 3.967 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)c1 ZINC000518547161 327173333 /nfs/dbraw/zinc/17/33/33/327173333.db2.gz WWNCHDXJUHGIBT-FDMDGMSGSA-N 0 1 297.354 3.656 20 0 CHADMN CO[C@H](CN[C@H](C)c1nccs1)c1cccc(Cl)c1 ZINC000090173050 327177606 /nfs/dbraw/zinc/17/76/06/327177606.db2.gz GJNYTFLBMVYCPK-ZWNOBZJWSA-N 0 1 296.823 3.835 20 0 CHADMN COc1ccccc1-c1ccc(CN2CCOC[C@@H]2C)cc1 ZINC000091814927 327178878 /nfs/dbraw/zinc/17/88/78/327178878.db2.gz HFPMMKBBADZXEF-HNNXBMFYSA-N 0 1 297.398 3.583 20 0 CHADMN COc1cccc([C@H]2CN(CCCC(C)(C)C)CCO2)c1 ZINC000410414896 327192876 /nfs/dbraw/zinc/19/28/76/327192876.db2.gz TVKORFBBJXDUJM-QGZVFWFLSA-N 0 1 291.435 3.895 20 0 CHADMN CCCC[C@H](C)N(C)CC(=O)Nc1ccc(SC)cc1 ZINC000569533354 327194433 /nfs/dbraw/zinc/19/44/33/327194433.db2.gz FUPXTGMKVAGIBQ-ZDUSSCGKSA-N 0 1 294.464 3.858 20 0 CHADMN Cc1nc2c(s1)[C@H](N(C)Cc1scnc1C)CCC2 ZINC000093365188 327197594 /nfs/dbraw/zinc/19/75/94/327197594.db2.gz JNKAKEGJXVQAQA-GFCCVEGCSA-N 0 1 293.461 3.726 20 0 CHADMN F[C@H]1CCC[C@H](NCc2ncc(C(F)(F)F)s2)C1 ZINC000566217512 327199198 /nfs/dbraw/zinc/19/91/98/327199198.db2.gz RKJBEWCWBPMRBS-YUMQZZPRSA-N 0 1 282.306 3.532 20 0 CHADMN CCc1ncc(CN2CC[C@H](C(F)(F)F)C[C@H]2C)s1 ZINC000449458787 327221292 /nfs/dbraw/zinc/22/12/92/327221292.db2.gz JBIYBUMSKOPYGA-ZJUUUORDSA-N 0 1 292.370 3.868 20 0 CHADMN CC[N@@H+](Cc1cccs1)[C@H](C(=O)[O-])c1ccccc1C ZINC000584296851 327227861 /nfs/dbraw/zinc/22/78/61/327227861.db2.gz KWWJSSTWESOPKI-HNNXBMFYSA-N 0 1 289.400 3.704 20 0 CHADMN FC[C@H]1CCCN1[C@H]1CCCc2ccc(F)cc21 ZINC000559409959 327243840 /nfs/dbraw/zinc/24/38/40/327243840.db2.gz JHXZMFAIQXNNBZ-HIFRSBDPSA-N 0 1 251.320 3.637 20 0 CHADMN CCn1cc([C@H](C)NCc2cccc(C(F)(F)F)c2)cn1 ZINC000044494454 327267063 /nfs/dbraw/zinc/26/70/63/327267063.db2.gz AFBAKGOWSVQZOP-NSHDSACASA-N 0 1 297.324 3.773 20 0 CHADMN Fc1ccc2c(c1)[C@@H](N[C@@H]1CCC[C@@H]1F)CCCO2 ZINC000559916439 327270990 /nfs/dbraw/zinc/27/09/90/327270990.db2.gz PVOAZWJRRINMEK-MELADBBJSA-N 0 1 267.319 3.520 20 0 CHADMN Cc1ccccc1-c1nc(CNC[C@@H](C)CC(C)C)no1 ZINC000559929924 327272273 /nfs/dbraw/zinc/27/22/73/327272273.db2.gz SPMMNJCOAKGQGW-ZDUSSCGKSA-N 0 1 287.407 3.817 20 0 CHADMN C[C@@H](CCC(C)(C)C)N[C@H](CO)c1c(F)cccc1F ZINC000560246928 327292844 /nfs/dbraw/zinc/29/28/44/327292844.db2.gz UKZJXTPFHKSRPR-SMDDNHRTSA-N 0 1 285.378 3.803 20 0 CHADMN Cc1nnsc1CN1CCC[C@@H]1c1cc(C)ccc1C ZINC000566301829 327295063 /nfs/dbraw/zinc/29/50/63/327295063.db2.gz PUZKICRARZDPPS-OAHLLOKOSA-N 0 1 287.432 3.800 20 0 CHADMN CCC1(C)CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000507174915 332793089 /nfs/dbraw/zinc/79/30/89/332793089.db2.gz DGKIULAEKSZRJB-CYBMUJFWSA-N 0 1 292.398 3.665 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000578076537 327298926 /nfs/dbraw/zinc/29/89/26/327298926.db2.gz MQUAUAPWOXPRRE-WCQYABFASA-N 0 1 281.421 3.847 20 0 CHADMN Cc1sccc1CN(Cc1ccccn1)C(C)C ZINC000560449621 327308421 /nfs/dbraw/zinc/30/84/21/327308421.db2.gz LHCBYFYHWRTMKE-UHFFFAOYSA-N 0 1 260.406 3.862 20 0 CHADMN CC1(C(=O)Nc2ccc(F)c(F)c2O)CCCCC1 ZINC000560475973 327312318 /nfs/dbraw/zinc/31/23/18/327312318.db2.gz IPPLAOOBWZIJGR-UHFFFAOYSA-N 0 1 269.291 3.579 20 0 CHADMN Cc1noc([C@H]2CCCCN2CCCc2ccc(C)cc2)n1 ZINC000560533840 327320347 /nfs/dbraw/zinc/32/03/47/327320347.db2.gz ZBQMANCCGZYZTI-QGZVFWFLSA-N 0 1 299.418 3.846 20 0 CHADMN CC(C)(C)OC(=O)c1ccc(CN[C@@H]2CCC[C@@H]2F)cc1 ZINC000560627692 327332487 /nfs/dbraw/zinc/33/24/87/327332487.db2.gz KUDHFDXARUMSDE-LSDHHAIUSA-N 0 1 293.382 3.622 20 0 CHADMN COC[C@H](NCc1cc2ccccc2o1)c1ccccc1 ZINC000560634879 327333042 /nfs/dbraw/zinc/33/30/42/327333042.db2.gz POEDIHUIKHSDPK-KRWDZBQOSA-N 0 1 281.355 3.910 20 0 CHADMN C[C@H]1C[C@H](CC[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)C[C@@H](C)C1 ZINC000582127421 327346202 /nfs/dbraw/zinc/34/62/02/327346202.db2.gz UVAAQPQCNLVHCJ-WBTNSWJXSA-N 0 1 281.440 3.636 20 0 CHADMN FC(F)(F)CCCCN1CCC=C(c2ccccn2)C1 ZINC000583419495 327354806 /nfs/dbraw/zinc/35/48/06/327354806.db2.gz KLCMKQVBLXGSDQ-UHFFFAOYSA-N 0 1 284.325 3.903 20 0 CHADMN C[C@H]1CN(Cc2ccccc2NCC2CCC2)C[C@H](C)O1 ZINC000152713246 327378216 /nfs/dbraw/zinc/37/82/16/327378216.db2.gz UNPLVABAQSBKLR-GJZGRUSLSA-N 0 1 288.435 3.508 20 0 CHADMN FC(F)(F)c1cccc(C2(NCc3cncs3)CC2)c1 ZINC000561310650 327384695 /nfs/dbraw/zinc/38/46/95/327384695.db2.gz LLKGNDYHDOYWGK-UHFFFAOYSA-N 0 1 298.333 3.941 20 0 CHADMN Cc1ccc2nc(NC(=O)CCC(C)(C)C)[nH]c2c1 ZINC000561342231 327388060 /nfs/dbraw/zinc/38/80/60/327388060.db2.gz BEHVZKZJTJOUGO-UHFFFAOYSA-N 0 1 259.353 3.636 20 0 CHADMN CC(C)c1ccc(CN[C@H](CO)c2ccc(F)cc2)cc1 ZINC000561497127 327399218 /nfs/dbraw/zinc/39/92/18/327399218.db2.gz LZDQOWORGXBHLL-GOSISDBHSA-N 0 1 287.378 3.772 20 0 CHADMN Cc1ccc2nc(NC(=O)[C@H](C)c3ccccc3)[nH]c2c1 ZINC000561501491 327399379 /nfs/dbraw/zinc/39/93/79/327399379.db2.gz NXCWZTZIDSPTOY-GFCCVEGCSA-N 0 1 279.343 3.614 20 0 CHADMN C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(F)cc1OC(F)F ZINC000562066924 327446479 /nfs/dbraw/zinc/44/64/79/327446479.db2.gz YPIQQSQVBIHWGY-UASFKTIASA-N 0 1 295.251 3.731 20 0 CHADMN C[C@H](c1ccc(F)c(F)c1)N1C[C@@H](C)S[C@H](C)C1 ZINC000562457536 327482728 /nfs/dbraw/zinc/48/27/28/327482728.db2.gz DSEJGGHUSPUTSJ-GMTAPVOTSA-N 0 1 271.376 3.852 20 0 CHADMN CCc1cccnc1[C@H](C)NCc1ccc(OC)cc1 ZINC000507482900 332808842 /nfs/dbraw/zinc/80/88/42/332808842.db2.gz GBRDRCXRYCOSFS-ZDUSSCGKSA-N 0 1 270.376 3.503 20 0 CHADMN C(=Cc1ccccc1)CNCc1nc(-c2ccccc2)c[nH]1 ZINC000570359876 327585362 /nfs/dbraw/zinc/58/53/62/327585362.db2.gz QHVHSFCKNQAEFM-YFHOEESVSA-N 0 1 289.382 3.880 20 0 CHADMN CC(C)Oc1cccc([C@@H](C)N[C@H](C)c2ccncn2)c1 ZINC000395824601 328761213 /nfs/dbraw/zinc/76/12/13/328761213.db2.gz RKMYDTVQBCORGB-ZIAGYGMSSA-N 0 1 285.391 3.676 20 0 CHADMN CCc1cc(CN[C@@H](CC2CC2)c2ccccc2)on1 ZINC000532516847 328785610 /nfs/dbraw/zinc/78/56/10/328785610.db2.gz CGGISPIUTWPYDC-KRWDZBQOSA-N 0 1 270.376 3.868 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@@H](CO)c1ccccc1C ZINC000532550989 328790655 /nfs/dbraw/zinc/79/06/55/328790655.db2.gz LDBMZMCCPZQTQD-YJBOKZPZSA-N 0 1 299.414 3.778 20 0 CHADMN CCOCC(C)(C)NCc1c(Cl)cccc1Cl ZINC000379225039 328797294 /nfs/dbraw/zinc/79/72/94/328797294.db2.gz WDAIBBWNLKVZOT-UHFFFAOYSA-N 0 1 276.207 3.898 20 0 CHADMN CC1CCN(Cc2sccc2Br)CC1 ZINC000043501864 328800973 /nfs/dbraw/zinc/80/09/73/328800973.db2.gz CACPKPAJVBHZLH-UHFFFAOYSA-N 0 1 274.227 3.743 20 0 CHADMN Cc1ccsc1[C@@H](CO)N[C@@H](C)c1ccsc1 ZINC000358378375 328882890 /nfs/dbraw/zinc/88/28/90/328882890.db2.gz KAKACFZTWPPSLW-CMPLNLGQSA-N 0 1 267.419 3.502 20 0 CHADMN COc1cc2c(cc1F)nccc2N1[C@H](C)CC[C@H]1C ZINC000359549239 328898325 /nfs/dbraw/zinc/89/83/25/328898325.db2.gz VCDCVTAALUEMOH-GHMZBOCLSA-N 0 1 274.339 3.760 20 0 CHADMN CCC[C@@H](O)CN[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000361400831 328923819 /nfs/dbraw/zinc/92/38/19/328923819.db2.gz SGAKFQVASBQELJ-TZMCWYRMSA-N 0 1 290.432 3.622 20 0 CHADMN c1cc([C@H]2CCCCN2CCCCC2CCOCC2)n[nH]1 ZINC000375641045 329004878 /nfs/dbraw/zinc/00/48/78/329004878.db2.gz LXICTURIRKDHTR-QGZVFWFLSA-N 0 1 291.439 3.534 20 0 CHADMN C[C@H]1CCC[C@@H](N(C)C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000582451794 329011813 /nfs/dbraw/zinc/01/18/13/329011813.db2.gz AIKAEMFEAPQHRI-DZGCQCFKSA-N 0 1 297.402 3.727 20 0 CHADMN CCN1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000377523755 329017506 /nfs/dbraw/zinc/01/75/06/329017506.db2.gz KLGLQDCTUXEIKE-UHFFFAOYSA-N 0 1 278.808 3.842 20 0 CHADMN Cc1cc([C@@H](C)N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)no1 ZINC000377848114 329031698 /nfs/dbraw/zinc/03/16/98/329031698.db2.gz UIVMOBNWWFAISP-IXPVHAAZSA-N 0 1 292.329 3.858 20 0 CHADMN C[C@H](c1nc(-c2ccccc2)no1)N1CCC2(CC2)CC1 ZINC000378325191 329046136 /nfs/dbraw/zinc/04/61/36/329046136.db2.gz CMAXMKYVXNCNCM-CYBMUJFWSA-N 0 1 283.375 3.674 20 0 CHADMN CCC[C@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccccn1 ZINC000378404713 329049140 /nfs/dbraw/zinc/04/91/40/329049140.db2.gz PMBKDDKHKLAREZ-RBUKOAKNSA-N 0 1 295.430 3.699 20 0 CHADMN CC[C@@H](C)[C@@H](C)N(Cc1nc(C(C)C)no1)C1CC1 ZINC000170931118 329072272 /nfs/dbraw/zinc/07/22/72/329072272.db2.gz LJSCGHFFMSKIGS-VXGBXAGGSA-N 0 1 265.401 3.592 20 0 CHADMN CCSc1cccc(NC(=O)c2cccc3cn[nH]c32)c1 ZINC000172140423 329081398 /nfs/dbraw/zinc/08/13/98/329081398.db2.gz UNCRSRGNDGQJCJ-UHFFFAOYSA-N 0 1 297.383 3.927 20 0 CHADMN CC(=O)Nc1cccc(CN[C@@H](C)c2ccc(F)cc2)c1 ZINC000171977112 329082617 /nfs/dbraw/zinc/08/26/17/329082617.db2.gz KOORAPVLJTWZEG-LBPRGKRZSA-N 0 1 286.350 3.635 20 0 CHADMN CC(C)[C@@H](NCc1cnc[nH]1)c1ccccc1Cl ZINC000172037745 329083697 /nfs/dbraw/zinc/08/36/97/329083697.db2.gz XILNHNQQXDQPDT-CQSZACIVSA-N 0 1 263.772 3.550 20 0 CHADMN Cc1csc(CNCc2cc(Cl)cc3c2OCC3)c1 ZINC000393307887 329085642 /nfs/dbraw/zinc/08/56/42/329085642.db2.gz ODQXAPHYRDQEFE-UHFFFAOYSA-N 0 1 293.819 3.935 20 0 CHADMN FCCN[C@@H]1CCc2c1cc(Br)cc2Cl ZINC000308907203 332840242 /nfs/dbraw/zinc/84/02/42/332840242.db2.gz DYIOEWMFYHESDT-LLVKDONJSA-N 0 1 292.579 3.649 20 0 CHADMN Cc1c(Br)cccc1CNCc1cncs1 ZINC000582496905 329101364 /nfs/dbraw/zinc/10/13/64/329101364.db2.gz KVKOPCWBCQFBKJ-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN COCC1(CCN[C@@H](CCc2ccccc2)C(F)F)CC1 ZINC000582545712 329105215 /nfs/dbraw/zinc/10/52/15/329105215.db2.gz CKEJGTUQLDDZOZ-HNNXBMFYSA-N 0 1 297.389 3.659 20 0 CHADMN CCC[N@H+](Cc1cccc(C(=O)[O-])c1Cl)CC1CC1 ZINC000394684072 329133256 /nfs/dbraw/zinc/13/32/56/329133256.db2.gz ZWMOJTJGSOLNSR-UHFFFAOYSA-N 0 1 281.783 3.660 20 0 CHADMN CCn1ccnc1CN1CCC[C@@H]1c1cccc(C)c1C ZINC000172837042 329139279 /nfs/dbraw/zinc/13/92/79/329139279.db2.gz MAFYEJLYKSEKOR-QGZVFWFLSA-N 0 1 283.419 3.857 20 0 CHADMN Cc1csc(CSc2nc3ccc(C)cc3[nH]2)n1 ZINC000173320007 329145708 /nfs/dbraw/zinc/14/57/08/329145708.db2.gz XMZGNQAIOGWZHR-UHFFFAOYSA-N 0 1 275.402 3.929 20 0 CHADMN C[C@H](N[C@H](c1nccs1)c1ccccc1)C1CC1 ZINC000177270349 329182774 /nfs/dbraw/zinc/18/27/74/329182774.db2.gz CAJLBZBXSCRGPR-FZMZJTMJSA-N 0 1 258.390 3.621 20 0 CHADMN Fc1ccc(CN2CCOC[C@H](C3CCC3)C2)cc1Cl ZINC000429264147 329184623 /nfs/dbraw/zinc/18/46/23/329184623.db2.gz LTGBLUIXMANHNC-CQSZACIVSA-N 0 1 297.801 3.728 20 0 CHADMN CC[C@@H](NCc1cn2c(cccc2C)n1)c1cccs1 ZINC000178058509 329191991 /nfs/dbraw/zinc/19/19/91/329191991.db2.gz GWFWXEVRWNTAHE-CQSZACIVSA-N 0 1 285.416 3.945 20 0 CHADMN CCOc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccncc1)CCO2 ZINC000178129069 329196550 /nfs/dbraw/zinc/19/65/50/329196550.db2.gz BLGMWCPWXAMXLK-GUYCJALGSA-N 0 1 298.386 3.655 20 0 CHADMN C[C@H](N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccoc1 ZINC000178125618 329196632 /nfs/dbraw/zinc/19/66/32/329196632.db2.gz ZGLNVTNYRVCPTL-JQFCIGGWSA-N 0 1 271.360 3.851 20 0 CHADMN C[C@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)c1ccco1 ZINC000178368954 329199188 /nfs/dbraw/zinc/19/91/88/329199188.db2.gz YHVZXLBAAMPJOY-KBPBESRZSA-N 0 1 281.359 3.877 20 0 CHADMN CC[C@@H](NCc1cccnc1N(C)C)c1ccccc1F ZINC000180112377 329211615 /nfs/dbraw/zinc/21/16/15/329211615.db2.gz AHKATTRNLWKKEY-MRXNPFEDSA-N 0 1 287.382 3.528 20 0 CHADMN C[C@@H]1CCN(Cc2cnn3ccccc23)[C@H](c2ccco2)C1 ZINC000180077583 329215179 /nfs/dbraw/zinc/21/51/79/329215179.db2.gz QVCRYAARWRQCSE-PBHICJAKSA-N 0 1 295.386 3.901 20 0 CHADMN Cc1cccc([C@@H]2CCCN2Cc2n[nH]c(C3CC3)n2)c1C ZINC000180422696 329216584 /nfs/dbraw/zinc/21/65/84/329216584.db2.gz POZKEIZELVWVTO-INIZCTEOSA-N 0 1 296.418 3.636 20 0 CHADMN C[C@@H]1CN(Cc2ccc(Oc3ccccc3)o2)CCCO1 ZINC000180428412 329216702 /nfs/dbraw/zinc/21/67/02/329216702.db2.gz AZMYNZKBYCBOHL-CQSZACIVSA-N 0 1 287.359 3.683 20 0 CHADMN Cc1n[nH]cc1CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000180149451 329217904 /nfs/dbraw/zinc/21/79/04/329217904.db2.gz PAIIHYZGKUZCKL-OAHLLOKOSA-N 0 1 275.783 3.709 20 0 CHADMN C[C@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000180195377 329218442 /nfs/dbraw/zinc/21/84/42/329218442.db2.gz JRKZAHVVOXKUPV-INIZCTEOSA-N 0 1 291.778 3.557 20 0 CHADMN Cc1oncc1C[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000181652419 329235526 /nfs/dbraw/zinc/23/55/26/329235526.db2.gz VNGRAHFHGDAJNE-INIZCTEOSA-N 0 1 256.349 3.629 20 0 CHADMN CC(C)COc1ccc(CN(C)Cc2cccnc2)cc1 ZINC000182033441 329238917 /nfs/dbraw/zinc/23/89/17/329238917.db2.gz WQJFXRFDYBXQQE-UHFFFAOYSA-N 0 1 284.403 3.748 20 0 CHADMN COCc1ccsc1C(=O)Nc1cccc(Cl)c1O ZINC000182734816 329244394 /nfs/dbraw/zinc/24/43/94/329244394.db2.gz QBNLYAOAIFDWLG-UHFFFAOYSA-N 0 1 297.763 3.506 20 0 CHADMN C[C@H](c1cnn(C)c1)N(C)Cc1ccc(C(F)F)cc1 ZINC000183994439 329252031 /nfs/dbraw/zinc/25/20/31/329252031.db2.gz RVFRBWSSOOJZGS-LLVKDONJSA-N 0 1 279.334 3.551 20 0 CHADMN C[C@H]1SCC[N@@H+](Cc2ccc(C(F)F)cc2)[C@@H]1C ZINC000183948605 329254916 /nfs/dbraw/zinc/25/49/16/329254916.db2.gz INQAOIOOYBZJML-GHMZBOCLSA-N 0 1 271.376 3.950 20 0 CHADMN Cc1ccc(CNCc2nc3ccccc3n2C2CC2)cc1 ZINC000184772836 329264193 /nfs/dbraw/zinc/26/41/93/329264193.db2.gz BBSLPFGHOMERKJ-UHFFFAOYSA-N 0 1 291.398 3.969 20 0 CHADMN CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cnoc2C)cc1 ZINC000185149812 329266737 /nfs/dbraw/zinc/26/67/37/329266737.db2.gz QUHBNGZQMPZLQG-KRWDZBQOSA-N 0 1 286.375 3.719 20 0 CHADMN CCOc1ccc([C@@H]2CCCN2Cc2cnoc2C)cc1 ZINC000185149812 329266739 /nfs/dbraw/zinc/26/67/39/329266739.db2.gz QUHBNGZQMPZLQG-KRWDZBQOSA-N 0 1 286.375 3.719 20 0 CHADMN C[C@@H]1Oc2ccccc2[C@@H]1NCc1cc2ccc(F)cc2[nH]1 ZINC000582957353 329289438 /nfs/dbraw/zinc/28/94/38/329289438.db2.gz UDKGJDMLWZXWMQ-BBATYDOGSA-N 0 1 296.345 3.919 20 0 CHADMN C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)[C@@H]1C ZINC000582970293 329296207 /nfs/dbraw/zinc/29/62/07/329296207.db2.gz MLJZPOYBIHMAER-GHMZBOCLSA-N 0 1 281.783 3.659 20 0 CHADMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000583031064 329304854 /nfs/dbraw/zinc/30/48/54/329304854.db2.gz WZVODOGUOUHQSU-NEPJUHHUSA-N 0 1 293.382 3.923 20 0 CHADMN CCCn1nc(C)c(CN2CC3(C2)CCCCC3)c1C ZINC000459593488 329340616 /nfs/dbraw/zinc/34/06/16/329340616.db2.gz IYSQCZFWMNOPLP-UHFFFAOYSA-N 0 1 275.440 3.676 20 0 CHADMN Cc1ccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186433001 329342442 /nfs/dbraw/zinc/34/24/42/329342442.db2.gz FUFPIEYHTILTEK-LJQANCHMSA-N 0 1 279.383 3.626 20 0 CHADMN Cc1noc(C)c1CNC[C@H](c1ccccc1)C(F)(F)F ZINC000186441220 329342770 /nfs/dbraw/zinc/34/27/70/329342770.db2.gz LYEXVXTYRYAHIB-CQSZACIVSA-N 0 1 298.308 3.727 20 0 CHADMN CCN(Cc1cccs1)Cc1ccc(C)nc1C ZINC000186464124 329342951 /nfs/dbraw/zinc/34/29/51/329342951.db2.gz VENWXCGTTXXBME-UHFFFAOYSA-N 0 1 260.406 3.782 20 0 CHADMN Cc1cnccc1CN[C@H]1CCc2sc(Cl)cc21 ZINC000229662488 329356930 /nfs/dbraw/zinc/35/69/30/329356930.db2.gz PBDRJUOBCMZNPX-LBPRGKRZSA-N 0 1 278.808 3.882 20 0 CHADMN CCCN(C)Cc1csc(-c2ccsc2)n1 ZINC000063755749 329399280 /nfs/dbraw/zinc/39/92/80/329399280.db2.gz OCDQAGMGIKZLQK-UHFFFAOYSA-N 0 1 252.408 3.713 20 0 CHADMN CCOc1ccc(CN[C@@H]2CCCc3occc32)cc1F ZINC000190937886 329403136 /nfs/dbraw/zinc/40/31/36/329403136.db2.gz IKOKRMYJXFONIQ-OAHLLOKOSA-N 0 1 289.350 3.985 20 0 CHADMN Cc1cnc(CN[C@H]2CCC[C@H]2CCC(C)C)o1 ZINC000190984007 329404123 /nfs/dbraw/zinc/40/41/23/329404123.db2.gz MKPNWPMIUYJHIZ-KBPBESRZSA-N 0 1 250.386 3.678 20 0 CHADMN COc1cccc(F)c1[C@@H](C)Nc1ccnc(C)c1Cl ZINC000509065209 332857815 /nfs/dbraw/zinc/85/78/15/332857815.db2.gz FFPKQTCIUMCDQX-SECBINFHSA-N 0 1 294.757 3.786 20 0 CHADMN C[C@H](NCc1ccnc(N)c1)c1cccc(Cl)c1Cl ZINC000191607402 329415603 /nfs/dbraw/zinc/41/56/03/329415603.db2.gz BSEBWHRBNFORKF-VIFPVBQESA-N 0 1 296.201 3.821 20 0 CHADMN Cc1cccc(CN[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000051573753 329653099 /nfs/dbraw/zinc/65/30/99/329653099.db2.gz RTUUIEVPZRFJMH-LBPRGKRZSA-N 0 1 260.768 3.894 20 0 CHADMN Cc1nccnc1[C@@H](C)NCc1ccccc1COC(C)C ZINC000527099441 329682175 /nfs/dbraw/zinc/68/21/75/329682175.db2.gz NEQZHXOPPOOLAX-OAHLLOKOSA-N 0 1 299.418 3.561 20 0 CHADMN OC[C@@H](CC1CCCC1)Nc1ccnc2cc(F)ccc21 ZINC000509531718 332872740 /nfs/dbraw/zinc/87/27/40/332872740.db2.gz FZTBOQOSDITOQQ-CQSZACIVSA-N 0 1 288.366 3.727 20 0 CHADMN C[C@H]1C[C@H](c2noc(C34CCCN3CCC4)n2)C[C@@H](C)C1 ZINC000420490169 329768306 /nfs/dbraw/zinc/76/83/06/329768306.db2.gz JMJCWBNKWZPOAR-WDNDVIMCSA-N 0 1 289.423 3.694 20 0 CHADMN Cc1ncc(CN[C@H](CC(F)F)c2ccccc2)s1 ZINC000420997582 329796864 /nfs/dbraw/zinc/79/68/64/329796864.db2.gz SGXAPCZLRGRTQW-CYBMUJFWSA-N 0 1 282.359 3.938 20 0 CHADMN Cc1cc(CN[C@@H](C)c2cc(F)ccc2F)cc(C)n1 ZINC000421207264 329805981 /nfs/dbraw/zinc/80/59/81/329805981.db2.gz VVLQUYRHZFUTTA-LBPRGKRZSA-N 0 1 276.330 3.827 20 0 CHADMN Cc1cc(CNCc2ccc(Cl)s2)cc(C)n1 ZINC000421378893 329817242 /nfs/dbraw/zinc/81/72/42/329817242.db2.gz KXIPMUVCTNOFIT-UHFFFAOYSA-N 0 1 266.797 3.703 20 0 CHADMN Cc1c(Cl)c(CN[C@H](C)[C@H](C)c2ccccc2)nn1C ZINC000421367756 329823929 /nfs/dbraw/zinc/82/39/29/329823929.db2.gz UFZVPXWVBQYQPI-NWDGAFQWSA-N 0 1 291.826 3.664 20 0 CHADMN Cc1cc(C)c(CN[C@H](C)c2ccncc2F)cc1C ZINC000510007642 332888280 /nfs/dbraw/zinc/88/82/80/332888280.db2.gz WBQWADPFWNOBNM-CQSZACIVSA-N 0 1 272.367 3.997 20 0 CHADMN O[C@H](CNc1ccc2cnccc2c1)CC1CCCC1 ZINC000572275773 329966660 /nfs/dbraw/zinc/96/66/60/329966660.db2.gz DXPHJXYGZSURRZ-KRWDZBQOSA-N 0 1 270.376 3.588 20 0 CHADMN C[C@@H](c1cccs1)[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000262159292 330000872 /nfs/dbraw/zinc/00/08/72/330000872.db2.gz AWIITNDRIXPUFB-ZDUSSCGKSA-N 0 1 289.400 3.786 20 0 CHADMN CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CCCCC(=O)[O-] ZINC000262187962 330001554 /nfs/dbraw/zinc/00/15/54/330001554.db2.gz FQRHVLSHAPIYGB-INIZCTEOSA-N 0 1 295.398 3.580 20 0 CHADMN CCC[C@H](C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1)c1ccccc1 ZINC000263036904 330039932 /nfs/dbraw/zinc/03/99/32/330039932.db2.gz ICXDEDKIYMVARK-USXIJHARSA-N 0 1 289.419 3.613 20 0 CHADMN C[C@@H](C(=O)[O-])[N@@H+](CC1CCC(C(C)(C)C)CC1)C1CC1 ZINC000263315424 330052256 /nfs/dbraw/zinc/05/22/56/330052256.db2.gz HNVSFWDZUVURCJ-HSBZDZAISA-N 0 1 281.440 3.776 20 0 CHADMN CC(C)C[C@]1(C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263395912 330054114 /nfs/dbraw/zinc/05/41/14/330054114.db2.gz GNOBFLHKPIGJDM-KRWDZBQOSA-N 0 1 275.392 3.785 20 0 CHADMN CCC[N@@H+](CC(=O)[O-])Cc1cccc(-c2ccccc2C)c1 ZINC000263404000 330054360 /nfs/dbraw/zinc/05/43/60/330054360.db2.gz JAXRRPNKBASIJJ-UHFFFAOYSA-N 0 1 297.398 3.959 20 0 CHADMN CCC[N@H+](CC(=O)[O-])C[C@H](CC(C)C)c1ccccc1 ZINC000263412945 330054557 /nfs/dbraw/zinc/05/45/57/330054557.db2.gz MATPRXYXBNONID-INIZCTEOSA-N 0 1 277.408 3.613 20 0 CHADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000263422421 330055061 /nfs/dbraw/zinc/05/50/61/330055061.db2.gz PIAQASYSMJAOED-GOSISDBHSA-N 0 1 295.382 3.764 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000263454611 330056744 /nfs/dbraw/zinc/05/67/44/330056744.db2.gz HBAZKRPDPMJVMA-HNNXBMFYSA-N 0 1 287.384 3.783 20 0 CHADMN CC[N@@H+](CCc1cccs1)Cc1cccc(C(=O)[O-])c1 ZINC000263474903 330057246 /nfs/dbraw/zinc/05/72/46/330057246.db2.gz MIIUPRMDQMJNBX-UHFFFAOYSA-N 0 1 289.400 3.511 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000263476030 330057273 /nfs/dbraw/zinc/05/72/73/330057273.db2.gz MQQCKFYNBVYLLU-MRXNPFEDSA-N 0 1 299.345 3.513 20 0 CHADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@H]2C2CCCCC2)c1 ZINC000263483659 330057390 /nfs/dbraw/zinc/05/73/90/330057390.db2.gz ORJVKGDOJSDTDJ-KRWDZBQOSA-N 0 1 287.403 3.930 20 0 CHADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263483999 330057445 /nfs/dbraw/zinc/05/74/45/330057445.db2.gz OUWAHFKGUWQCEP-INWMFGNUSA-N 0 1 273.376 3.538 20 0 CHADMN Cc1ccccc1-c1cccc(C[N@H+](C)C[C@H](C)C(=O)[O-])c1 ZINC000263516603 330058681 /nfs/dbraw/zinc/05/86/81/330058681.db2.gz OXPSGDZLNQXCDJ-HNNXBMFYSA-N 0 1 297.398 3.815 20 0 CHADMN COCc1ccc(CN[C@H](C)c2cccc(Cl)c2)o1 ZINC000268800384 330066764 /nfs/dbraw/zinc/06/67/64/330066764.db2.gz PUUJIWPHRGHYLF-LLVKDONJSA-N 0 1 279.767 3.930 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)[C@]34C[C@H]3CCC4)c2C1 ZINC000421785446 330078250 /nfs/dbraw/zinc/07/82/50/330078250.db2.gz MYJNQCWTEVAROS-DNVCBOLYSA-N 0 1 298.430 3.787 20 0 CHADMN Cc1ccccc1OCCN[C@H](C)c1ccncc1Cl ZINC000421827175 330083798 /nfs/dbraw/zinc/08/37/98/330083798.db2.gz WQFSKBSUVKJBNZ-CYBMUJFWSA-N 0 1 290.794 3.773 20 0 CHADMN O=C([O-])[C@H]([NH2+]Cc1cccc(C2CC2)c1)c1cccs1 ZINC000421816986 330086014 /nfs/dbraw/zinc/08/60/14/330086014.db2.gz RKQOIFCMTOBCSD-OAHLLOKOSA-N 0 1 287.384 3.541 20 0 CHADMN COCc1ccc(CN[C@H](C)c2ccncc2Cl)cc1 ZINC000421820560 330086627 /nfs/dbraw/zinc/08/66/27/330086627.db2.gz MVNZZRZBPYDWTO-GFCCVEGCSA-N 0 1 290.794 3.732 20 0 CHADMN CCOc1ccccc1[C@H](C)NCc1cc(C)nc(C)c1 ZINC000421870607 330100169 /nfs/dbraw/zinc/10/01/69/330100169.db2.gz FRNWWYDNAPJKSQ-HNNXBMFYSA-N 0 1 284.403 3.948 20 0 CHADMN CCOc1cccc(CN2CCC[C@@H]2c2cccs2)n1 ZINC000162699368 330108407 /nfs/dbraw/zinc/10/84/07/330108407.db2.gz JKLFYUILANZWGQ-CQSZACIVSA-N 0 1 288.416 3.879 20 0 CHADMN CCN(Cc1ccc(Cl)s1)Cc1nc(C)ccc1O ZINC000162744785 330111292 /nfs/dbraw/zinc/11/12/92/330111292.db2.gz SFTYRIPRMUNGDY-UHFFFAOYSA-N 0 1 296.823 3.833 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@H](c1ccccc1F)[C@H](C)O)CC2 ZINC000580439850 330134782 /nfs/dbraw/zinc/13/47/82/330134782.db2.gz UJXRIRDKVGVEPL-BKTGTZMESA-N 0 1 299.389 3.833 20 0 CHADMN Cc1nc2c(n1CCCSCC(C)C)CCCC2 ZINC000580451312 330138750 /nfs/dbraw/zinc/13/87/50/330138750.db2.gz COEGOOFCEKISQN-UHFFFAOYSA-N 0 1 266.454 3.850 20 0 CHADMN CCn1c2ccccc2nc1CNCC1=CCCCC1 ZINC000379586402 330139484 /nfs/dbraw/zinc/13/94/84/330139484.db2.gz JMNYNVOWLDKIBP-UHFFFAOYSA-N 0 1 269.392 3.646 20 0 CHADMN FCCCCCN1CCCn2c(cc3ccccc32)C1 ZINC000580480403 330147060 /nfs/dbraw/zinc/14/70/60/330147060.db2.gz WKCDYNFBEHWSQL-UHFFFAOYSA-N 0 1 274.383 3.987 20 0 CHADMN Fc1ccc(CN2CC[C@@H](c3cccc(Cl)c3)C2)nc1 ZINC000433305673 330217371 /nfs/dbraw/zinc/21/73/71/330217371.db2.gz QNVWHCXNWUNTJB-CYBMUJFWSA-N 0 1 290.769 3.864 20 0 CHADMN CCc1ccc(CC)c(-c2csc([C@@H](C)N)n2)c1 ZINC000396745567 330224646 /nfs/dbraw/zinc/22/46/46/330224646.db2.gz YFXXDENZJSBEIU-SNVBAGLBSA-N 0 1 260.406 3.955 20 0 CHADMN COc1ccc([C@@H](C)NCc2cnc(C)cc2C)cc1F ZINC000397070535 330238172 /nfs/dbraw/zinc/23/81/72/330238172.db2.gz YPMNUZSQWRFVTM-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN CC(C)CN(Cc1ccccc1F)CC1(F)CC1 ZINC000527218289 330238441 /nfs/dbraw/zinc/23/84/41/330238441.db2.gz BCAOABFNDWPHMT-UHFFFAOYSA-N 0 1 253.336 3.786 20 0 CHADMN O=C(Nc1cccc(CNCC2(F)CC2)c1)c1ccccc1 ZINC000527232847 330239559 /nfs/dbraw/zinc/23/95/59/330239559.db2.gz OVIJPWBYHACWMB-UHFFFAOYSA-N 0 1 298.361 3.531 20 0 CHADMN Cc1nnc(CN[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)s1 ZINC000527235113 330239690 /nfs/dbraw/zinc/23/96/90/330239690.db2.gz QICCPCQFDSRXCO-ZJUUUORDSA-N 0 1 295.839 3.782 20 0 CHADMN CC(C)CCNCc1ncc(Cl)cc1Br ZINC000527629015 330266673 /nfs/dbraw/zinc/26/66/73/330266673.db2.gz JCTLBYWURFBTPX-UHFFFAOYSA-N 0 1 291.620 3.633 20 0 CHADMN Cc1oc(C[N@@H+](Cc2ccccc2)C(C)C)cc1C(=O)[O-] ZINC000035432180 330246609 /nfs/dbraw/zinc/24/66/09/330246609.db2.gz LSRCUPQDQZTGAP-UHFFFAOYSA-N 0 1 287.359 3.697 20 0 CHADMN C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000527495724 330249743 /nfs/dbraw/zinc/24/97/43/330249743.db2.gz PSMHIGUYZAVENI-CHWSQXEVSA-N 0 1 298.390 3.627 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc3c(c1)COC3)CO2 ZINC000536854665 330249981 /nfs/dbraw/zinc/24/99/81/330249981.db2.gz YBZWEEVEKNMKRW-SCLBCKFNSA-N 0 1 295.382 3.810 20 0 CHADMN FC1(CN2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000527509931 330254769 /nfs/dbraw/zinc/25/47/69/330254769.db2.gz JIQCCOUQYMKCBL-CYBMUJFWSA-N 0 1 253.748 3.979 20 0 CHADMN Cc1ccc(C)c(OC2CCN(CC3(F)CC3)CC2)c1 ZINC000527510276 330255259 /nfs/dbraw/zinc/25/52/59/330255259.db2.gz MWOTYWUZSUDXBY-UHFFFAOYSA-N 0 1 277.383 3.649 20 0 CHADMN CCOC(=O)CCN[C@H](C)c1ccc(Cl)cc1Cl ZINC000036667603 330257475 /nfs/dbraw/zinc/25/74/75/330257475.db2.gz DZZRZRZEYYRHJY-SECBINFHSA-N 0 1 290.190 3.597 20 0 CHADMN Cc1cc(CN2CCC[C@H](C(F)(F)F)[C@H]2C)ccn1 ZINC000527537971 330260585 /nfs/dbraw/zinc/26/05/85/330260585.db2.gz HWTVMMVIJMEZJG-YPMHNXCESA-N 0 1 272.314 3.553 20 0 CHADMN CC[C@@H](c1ccccc1OC)N(C)Cc1ccnc(C)c1 ZINC000527539073 330261010 /nfs/dbraw/zinc/26/10/10/330261010.db2.gz IPBBFHSRWMHYPE-KRWDZBQOSA-N 0 1 284.403 3.982 20 0 CHADMN Cc1cc(CN2CC(C)(C)[C@@H]2c2ccccc2)ccn1 ZINC000527540490 330261327 /nfs/dbraw/zinc/26/13/27/330261327.db2.gz YYURBWWAWNUZGL-KRWDZBQOSA-N 0 1 266.388 3.973 20 0 CHADMN CCc1nc(C)c([C@H](C)N(C)Cc2ccnc(C)c2)s1 ZINC000527533365 330262902 /nfs/dbraw/zinc/26/29/02/330262902.db2.gz ITECPISCVHPVHY-ZDUSSCGKSA-N 0 1 289.448 3.910 20 0 CHADMN C[C@@H](N[C@@H](C)c1noc(-c2ccccc2)n1)[C@@H]1C[C@H]1C1CC1 ZINC000527678156 330270562 /nfs/dbraw/zinc/27/05/62/330270562.db2.gz UCPOXJRTDZSOEP-KNPMLCFXSA-N 0 1 297.402 3.822 20 0 CHADMN Cc1cnccc1CCNCc1c(F)ccc(F)c1Cl ZINC000527688694 330271927 /nfs/dbraw/zinc/27/19/27/330271927.db2.gz XFFKNNATKZTVGO-UHFFFAOYSA-N 0 1 296.748 3.654 20 0 CHADMN CCc1cccc2c1OCC[C@@H]2NCc1ccnc(C)c1 ZINC000527655518 330273089 /nfs/dbraw/zinc/27/30/89/330273089.db2.gz HRXUEORZVXCKPS-KRWDZBQOSA-N 0 1 282.387 3.566 20 0 CHADMN C[C@@H]1Cc2ccccc2[C@H]1NCc1ccncc1Cl ZINC000527659399 330273554 /nfs/dbraw/zinc/27/35/54/330273554.db2.gz REIFGQZOESKVCE-BZNIZROVSA-N 0 1 272.779 3.758 20 0 CHADMN Fc1ccc(F)c(CN[C@H]2[C@@H]3CCC[C@@H]32)c1Cl ZINC000527727266 330277672 /nfs/dbraw/zinc/27/76/72/330277672.db2.gz NNAKXYQSTOCOIW-BWPRHRIFSA-N 0 1 257.711 3.506 20 0 CHADMN CC(C)Cc1ccccc1CNCc1ccccn1 ZINC000527734022 330278533 /nfs/dbraw/zinc/27/85/33/330278533.db2.gz SDXFHAJYUAZOEZ-UHFFFAOYSA-N 0 1 254.377 3.570 20 0 CHADMN Cc1cccc([C@H](NCc2ccnc(C)n2)C(C)C)c1 ZINC000527808260 330284486 /nfs/dbraw/zinc/28/44/86/330284486.db2.gz KZLUHCJZHYDTSL-QGZVFWFLSA-N 0 1 269.392 3.580 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1nc(C)cs1)c1ccc(F)cc1 ZINC000527867935 330285876 /nfs/dbraw/zinc/28/58/76/330285876.db2.gz KKCHUMISLJGCGH-FZMZJTMJSA-N 0 1 294.395 3.629 20 0 CHADMN CCc1ccc([C@H](CC(C)C)NCc2nccn2C)cc1 ZINC000527860312 330289321 /nfs/dbraw/zinc/28/93/21/330289321.db2.gz UJYGZBNQRJKVIB-KRWDZBQOSA-N 0 1 285.435 3.860 20 0 CHADMN CC[C@H](N[C@H](C)c1nccn1C)c1cc(C)ccc1C ZINC000527909502 330290661 /nfs/dbraw/zinc/29/06/61/330290661.db2.gz BJHNMGNEXAVUCC-ZBFHGGJFSA-N 0 1 271.408 3.839 20 0 CHADMN CC[C@@H](NCc1cnccc1OC)c1cc(C)ccc1C ZINC000527901568 330293441 /nfs/dbraw/zinc/29/34/41/330293441.db2.gz LEQIVLRGGVXEHI-QGZVFWFLSA-N 0 1 284.403 3.948 20 0 CHADMN Cc1cc([C@@H](C)NCc2ccc3cn(C)nc3c2)c(C)o1 ZINC000527964763 330301095 /nfs/dbraw/zinc/30/10/95/330301095.db2.gz RGUVFLXHAYSSNY-GFCCVEGCSA-N 0 1 283.375 3.634 20 0 CHADMN C[C@@H](N[C@@H](c1ccccn1)C1CCC1)c1ccccn1 ZINC000527969579 330301473 /nfs/dbraw/zinc/30/14/73/330301473.db2.gz RFXROZKOJOZTIK-CXAGYDPISA-N 0 1 267.376 3.669 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@@H](C)c2ncccc2F)C12CCCC2 ZINC000528034633 330302362 /nfs/dbraw/zinc/30/23/62/330302362.db2.gz AAYLMCCJUXQPEE-NWANDNLSSA-N 0 1 292.398 3.609 20 0 CHADMN Cc1cc(-c2noc([C@H]3[C@H](C4CC4)[C@@H]3C)n2)cc2nc[nH]c21 ZINC000528132678 330308870 /nfs/dbraw/zinc/30/88/70/330308870.db2.gz OBGBVVGFAUWNQY-QCZZGDTMSA-N 0 1 294.358 3.681 20 0 CHADMN C[C@@H](N[C@@H]1CCCOc2ccc(F)cc21)c1ccoc1 ZINC000536877546 330311008 /nfs/dbraw/zinc/31/10/08/330311008.db2.gz PFCPYENTKNCSRB-IAQYHMDHSA-N 0 1 275.323 3.983 20 0 CHADMN COc1ccc([C@@H](C)N(C)C/C=C(/C)Cl)cc1 ZINC000528338501 330319499 /nfs/dbraw/zinc/31/94/99/330319499.db2.gz NEEZUJARBKBLLG-UCQJPZFISA-N 0 1 253.773 3.831 20 0 CHADMN CN(C)c1cc(Cl)cc(Cl)c1CN[C@H]1CC12CC2 ZINC000424185189 330320407 /nfs/dbraw/zinc/32/04/07/330320407.db2.gz ONOWHMHMWCMGAY-ZDUSSCGKSA-N 0 1 285.218 3.702 20 0 CHADMN CCC1CCN(Cc2cccnc2C(F)(F)F)CC1 ZINC000528352858 330321625 /nfs/dbraw/zinc/32/16/25/330321625.db2.gz FVKFPBYMPIFVLZ-UHFFFAOYSA-N 0 1 272.314 3.722 20 0 CHADMN OCc1ccc(F)c(CN2CCC[C@H]2c2ccsc2)c1 ZINC000528353528 330321694 /nfs/dbraw/zinc/32/16/94/330321694.db2.gz VVZFLFUFLMBSIV-INIZCTEOSA-N 0 1 291.391 3.717 20 0 CHADMN CN(Cc1ccno1)Cc1ccccc1-c1ccccc1 ZINC000532948399 330322771 /nfs/dbraw/zinc/32/27/71/330322771.db2.gz VHMJLYWFYZVJFU-UHFFFAOYSA-N 0 1 278.355 3.974 20 0 CHADMN C[C@@H](c1nc(-c2cccs2)no1)N(C)CC(C)(C)C ZINC000532957073 330323057 /nfs/dbraw/zinc/32/30/57/330323057.db2.gz AMMVYHMBNDERAM-JTQLQIEISA-N 0 1 279.409 3.837 20 0 CHADMN COC(C)(C)CN(C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000533024117 330324620 /nfs/dbraw/zinc/32/46/20/330324620.db2.gz JPWBEGWXPVRBKO-CYBMUJFWSA-N 0 1 288.391 3.759 20 0 CHADMN CC(C)[C@H](NC(=O)c1cccc2nc[nH]c21)c1ccccc1 ZINC000533003272 330325008 /nfs/dbraw/zinc/32/50/08/330325008.db2.gz PVLUJQPXPBPWJU-INIZCTEOSA-N 0 1 293.370 3.690 20 0 CHADMN O=C(c1ccc(O)c(Cl)c1)N1CCC[C@H]1C1CCCC1 ZINC000044363386 330329355 /nfs/dbraw/zinc/32/93/55/330329355.db2.gz DFBPQNFLFNZPGQ-AWEZNQCLSA-N 0 1 293.794 3.840 20 0 CHADMN CC1(C)C[C@@H]1NCc1csc(-c2ccc(F)cc2)n1 ZINC000044370640 330329536 /nfs/dbraw/zinc/32/95/36/330329536.db2.gz QEIFSBKHQLZFAO-ZDUSSCGKSA-N 0 1 276.380 3.837 20 0 CHADMN C[C@H]1C[C@H](CC[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])C[C@@H](C)C1 ZINC000424270496 330333203 /nfs/dbraw/zinc/33/32/03/330333203.db2.gz NPHIYNFAAPERNG-ZVDSWSACSA-N 0 1 281.440 3.634 20 0 CHADMN C[C@@H](NCCC(C)(C)C(=O)OC(C)(C)C)c1nccs1 ZINC000424336547 330343365 /nfs/dbraw/zinc/34/33/65/330343365.db2.gz YWARTMRDWLABHS-LLVKDONJSA-N 0 1 298.452 3.552 20 0 CHADMN C[C@H]1[C@H](c2nc(C3(N)CCCCC3)no2)[C@H]1c1ccccc1 ZINC000424339315 330343949 /nfs/dbraw/zinc/34/39/49/330343949.db2.gz CLWFQMAEPSKDEM-YUELXQCFSA-N 0 1 297.402 3.705 20 0 CHADMN C[C@H]1[C@@H](c2nc(C3(N)CCCCC3)no2)[C@H]1c1ccccc1 ZINC000424339312 330343953 /nfs/dbraw/zinc/34/39/53/330343953.db2.gz CLWFQMAEPSKDEM-BPLDGKMQSA-N 0 1 297.402 3.705 20 0 CHADMN CC(C)(C)CN(CCCO)Cc1csc(C(C)(C)C)n1 ZINC000106934923 330345780 /nfs/dbraw/zinc/34/57/80/330345780.db2.gz JBGZZQMOYUFLHE-UHFFFAOYSA-N 0 1 298.496 3.671 20 0 CHADMN CC(C)c1ccc(CC[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])cc1 ZINC000424417057 330350805 /nfs/dbraw/zinc/35/08/05/330350805.db2.gz LNYHRWPCTSWRPX-YOEHRIQHSA-N 0 1 289.419 3.538 20 0 CHADMN CCN(C(=O)c1cccc2c[nH]nc21)c1cc(C)cc(C)c1 ZINC000046360040 330352315 /nfs/dbraw/zinc/35/23/15/330352315.db2.gz ONSZESRFNGOOSD-UHFFFAOYSA-N 0 1 293.370 3.846 20 0 CHADMN CC(C)c1ccc([C@@H](C)[N@@H+](C)C[C@@H](C)C(=O)[O-])cc1 ZINC000082250259 330353930 /nfs/dbraw/zinc/35/39/30/330353930.db2.gz YIQCYLAGMFDZKN-CHWSQXEVSA-N 0 1 263.381 3.524 20 0 CHADMN CCCCN(CC(=O)Nc1cc(Cl)ccc1C)C1CC1 ZINC000533243309 330355051 /nfs/dbraw/zinc/35/50/51/330355051.db2.gz VLMVQVWAQFFBIP-UHFFFAOYSA-N 0 1 294.826 3.851 20 0 CHADMN Cc1ccc(CN[C@H]2CSc3ccccc32)s1 ZINC000083748794 330359148 /nfs/dbraw/zinc/35/91/48/330359148.db2.gz XUHZQSVAUUJGKM-ZDUSSCGKSA-N 0 1 261.415 3.993 20 0 CHADMN Cc1ccc(F)c(CN[C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000116913035 330361270 /nfs/dbraw/zinc/36/12/70/330361270.db2.gz IQMASXIQPXQKMS-GFCCVEGCSA-N 0 1 287.334 3.714 20 0 CHADMN COCC1(C)CCN([C@H](C)c2cc(F)ccc2F)CC1 ZINC000536888101 330363218 /nfs/dbraw/zinc/36/32/18/330363218.db2.gz PBOMAQDCDWDGAM-GFCCVEGCSA-N 0 1 283.362 3.774 20 0 CHADMN CC(C)(C)c1nc(CNCC2(O)CCCCCC2)cs1 ZINC000117947143 330366682 /nfs/dbraw/zinc/36/66/82/330366682.db2.gz KMBXMBSPASGGGN-UHFFFAOYSA-N 0 1 296.480 3.616 20 0 CHADMN CCC[C@H](C(=O)Nc1ccc(OC(C)(C)C)cc1)N(C)C ZINC000119416243 330374564 /nfs/dbraw/zinc/37/45/64/330374564.db2.gz XDZSQCUTCOHZKT-OAHLLOKOSA-N 0 1 292.423 3.533 20 0 CHADMN Cc1ccc(C)c(N2CCN([C@H](C)c3ccccn3)CC2)c1 ZINC000119505332 330375267 /nfs/dbraw/zinc/37/52/67/330375267.db2.gz IZSDRDPNFDXUDE-QGZVFWFLSA-N 0 1 295.430 3.582 20 0 CHADMN CC[C@@H](NCc1ccccc1OC1CCC1)c1cnn(C)c1 ZINC000090027922 330389847 /nfs/dbraw/zinc/38/98/47/330389847.db2.gz ZXYDGJODESNHFH-QGZVFWFLSA-N 0 1 299.418 3.592 20 0 CHADMN C[C@H](C1CC1)N(C)Cc1csc(C(C)(C)C)n1 ZINC000120702910 330391728 /nfs/dbraw/zinc/39/17/28/330391728.db2.gz SMPZXGMAQGYJQK-SNVBAGLBSA-N 0 1 252.427 3.671 20 0 CHADMN CC[C@@]1(C)CC[N@H+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000537047995 330394453 /nfs/dbraw/zinc/39/44/53/330394453.db2.gz CXELITOGSWXGFQ-LRDDRELGSA-N 0 1 279.380 3.558 20 0 CHADMN CCC(CC)[C@H](NC(=O)Cc1cc(C)n[nH]1)c1ccccc1 ZINC000121021395 330395103 /nfs/dbraw/zinc/39/51/03/330395103.db2.gz NHOVNOMSCFQXID-SFHVURJKSA-N 0 1 299.418 3.554 20 0 CHADMN CC[C@H](CSC)N(C)Cc1nc2cc(F)ccc2o1 ZINC000091099167 330398982 /nfs/dbraw/zinc/39/89/82/330398982.db2.gz PDXCDIIVNALLGC-LLVKDONJSA-N 0 1 282.384 3.540 20 0 CHADMN Cc1ncsc1CN[C@@H](C)c1cc(F)cc(F)c1 ZINC000094827525 330429669 /nfs/dbraw/zinc/42/96/69/330429669.db2.gz NVKJOHKUBRXZST-QMMMGPOBSA-N 0 1 268.332 3.581 20 0 CHADMN Cc1cc(S(=O)(=O)Nc2cccc(C(C)C)c2)c(C)o1 ZINC000537349593 330433673 /nfs/dbraw/zinc/43/36/73/330433673.db2.gz OZCDLYVUBSCLEX-UHFFFAOYSA-N 0 1 293.388 3.821 20 0 CHADMN CC[C@H](NCc1c(C)nn(CC)c1C)c1ccccc1F ZINC000537612736 330444803 /nfs/dbraw/zinc/44/48/03/330444803.db2.gz SRIFHPMYNLNTKI-KRWDZBQOSA-N 0 1 289.398 3.900 20 0 CHADMN CC[C@@H](NCc1occc1C)c1cccc(OC)c1 ZINC000426300896 330503312 /nfs/dbraw/zinc/50/33/12/330503312.db2.gz KHIRVIUQBSDSQK-OAHLLOKOSA-N 0 1 259.349 3.838 20 0 CHADMN CCSc1ccc([C@@H](C)NCc2snnc2C)cc1 ZINC000426339227 330504869 /nfs/dbraw/zinc/50/48/69/330504869.db2.gz KFCGNGOZNVCCTM-SNVBAGLBSA-N 0 1 293.461 3.809 20 0 CHADMN Cc1cc(CN2CCC(c3ccc(F)cc3C)CC2)on1 ZINC000428721765 330530227 /nfs/dbraw/zinc/53/02/27/330530227.db2.gz FMOQBGBSHHCZSE-UHFFFAOYSA-N 0 1 288.366 3.810 20 0 CHADMN Cc1cnc([C@H](C)N[C@H](c2ccc(F)cc2)C(C)C)cn1 ZINC000428981148 330536097 /nfs/dbraw/zinc/53/60/97/330536097.db2.gz PGQUTNJZFIZIAJ-GUYCJALGSA-N 0 1 287.382 3.972 20 0 CHADMN C[C@H](N[C@H](CO)CC(F)F)c1ccc(-c2ccccc2)o1 ZINC000429446280 330547050 /nfs/dbraw/zinc/54/70/50/330547050.db2.gz CZCRHLCPQSQMCR-AAEUAGOBSA-N 0 1 295.329 3.613 20 0 CHADMN C[C@H](N[C@H](CO)CC(F)F)c1cccc(Cl)c1Cl ZINC000429455203 330547298 /nfs/dbraw/zinc/54/72/98/330547298.db2.gz PLNYPBQCQLXREK-YUMQZZPRSA-N 0 1 298.160 3.660 20 0 CHADMN CCS[C@H](C)c1noc(CN[C@H]2CCC[C@@H]2CC)n1 ZINC000429792083 330555077 /nfs/dbraw/zinc/55/50/77/330555077.db2.gz UBLBOEKHSHVJMV-WOPDTQHZSA-N 0 1 283.441 3.552 20 0 CHADMN CC(C)C1CC(NCc2c(F)cc(F)c(F)c2F)C1 ZINC000430737038 330572003 /nfs/dbraw/zinc/57/20/03/330572003.db2.gz WJLDKUVXYGLMDG-UHFFFAOYSA-N 0 1 275.289 3.767 20 0 CHADMN C[C@H](NCC1(C)CCC1)c1nc(C2CCCCC2)no1 ZINC000432868676 330609418 /nfs/dbraw/zinc/60/94/18/330609418.db2.gz ZUWBKWGHQZBAQG-LBPRGKRZSA-N 0 1 277.412 3.958 20 0 CHADMN CC(C)CCC1CCN(C(=O)c2ccc(F)cc2O)CC1 ZINC000436581629 330680655 /nfs/dbraw/zinc/68/06/55/330680655.db2.gz FOHUAEFWVAXMLP-UHFFFAOYSA-N 0 1 293.382 3.820 20 0 CHADMN O=C(N[C@H]1C[C@H]1C1CCCCC1)c1ccc(O)c(Cl)c1 ZINC000436637129 330681905 /nfs/dbraw/zinc/68/19/05/330681905.db2.gz YWALOAIAQVDDDX-JSGCOSHPSA-N 0 1 293.794 3.744 20 0 CHADMN CCN(CC(C)C)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000436777497 330685045 /nfs/dbraw/zinc/68/50/45/330685045.db2.gz NXLRXOROPWGZNS-UHFFFAOYSA-N 0 1 290.190 3.817 20 0 CHADMN CN(C)c1cccc(CNCc2ccc(Cl)cc2F)c1 ZINC000438219155 330719955 /nfs/dbraw/zinc/71/99/55/330719955.db2.gz ZJBHODPYJFUIST-UHFFFAOYSA-N 0 1 292.785 3.835 20 0 CHADMN CC(C)c1ncc(CN2CCC([C@H]3CCCO3)CC2)s1 ZINC000439783786 330743102 /nfs/dbraw/zinc/74/31/02/330743102.db2.gz BNWWGJSZLMTJDJ-OAHLLOKOSA-N 0 1 294.464 3.658 20 0 CHADMN O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc(O)c(Cl)c1 ZINC000440139818 330746285 /nfs/dbraw/zinc/74/62/85/330746285.db2.gz UIZRVXVMPCKSEF-NTZNESFSSA-N 0 1 293.794 3.744 20 0 CHADMN Cc1cccc2nc(CN3CCC(C(C)C)CC3)cn21 ZINC000441455015 330769264 /nfs/dbraw/zinc/76/92/64/330769264.db2.gz CPXGQSRRTQBUJM-UHFFFAOYSA-N 0 1 271.408 3.511 20 0 CHADMN Cc1ccc(C)c(NC(=O)CN2CCC(C(C)C)CC2)c1 ZINC000441466882 330769487 /nfs/dbraw/zinc/76/94/87/330769487.db2.gz OLWBZUNBQNXCQV-UHFFFAOYSA-N 0 1 288.435 3.610 20 0 CHADMN CCC(CC)(NCc1cnns1)c1ccc(Cl)cc1 ZINC000450547114 330775939 /nfs/dbraw/zinc/77/59/39/330775939.db2.gz BJWKMBCEKUQSJN-UHFFFAOYSA-N 0 1 295.839 3.997 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@@H](CO)c1ccsc1 ZINC000442866559 330788530 /nfs/dbraw/zinc/78/85/30/330788530.db2.gz WRHSHKHHOHDXCX-FZMZJTMJSA-N 0 1 293.457 3.854 20 0 CHADMN C[C@H](NC1(c2ccc(F)cc2)CC1)c1cccc(O)c1 ZINC000442877454 330789910 /nfs/dbraw/zinc/78/99/10/330789910.db2.gz ZLGADQWWIJUQEL-LBPRGKRZSA-N 0 1 271.335 3.871 20 0 CHADMN CCC[C@H](N[C@H](CO)c1ccsc1)c1ccsc1 ZINC000443085667 330794119 /nfs/dbraw/zinc/79/41/19/330794119.db2.gz CNZXSSARCKKYCW-UONOGXRCSA-N 0 1 281.446 3.974 20 0 CHADMN CC(C)C[C@@H](C)Cc1nc(-c2ccn3cncc3c2)no1 ZINC000447958081 330881396 /nfs/dbraw/zinc/88/13/96/330881396.db2.gz DOPFHKXDFNYOHV-GFCCVEGCSA-N 0 1 284.363 3.609 20 0 CHADMN CCc1ccc([C@H](C)NCc2ccncc2F)cc1 ZINC000449062747 330896357 /nfs/dbraw/zinc/89/63/57/330896357.db2.gz KJDFEJGSNLOZKE-LBPRGKRZSA-N 0 1 258.340 3.634 20 0 CHADMN C[C@@H](NCc1ccnn1C1CCCC1)c1cccs1 ZINC000449063156 330896368 /nfs/dbraw/zinc/89/63/68/330896368.db2.gz LKIWQJLACWSZHQ-GFCCVEGCSA-N 0 1 275.421 3.911 20 0 CHADMN Cc1cc([C@@H](C)NCc2cc3cccnc3o2)c(C)o1 ZINC000449109494 330899671 /nfs/dbraw/zinc/89/96/71/330899671.db2.gz YUTLAXVRFGXPKT-LLVKDONJSA-N 0 1 270.332 3.888 20 0 CHADMN COc1ccc([C@H](C)N[C@H](C)c2cncc(F)c2)cc1F ZINC000162301732 330900631 /nfs/dbraw/zinc/90/06/31/330900631.db2.gz SLTKYVCEGFITRT-WDEREUQCSA-N 0 1 292.329 3.780 20 0 CHADMN COc1ccc(C)cc1[C@@H](C)N[C@@H](C)c1cncc(F)c1 ZINC000162392925 330909417 /nfs/dbraw/zinc/90/94/17/330909417.db2.gz HWUUJIBUYHJXDF-QWHCGFSZSA-N 0 1 288.366 3.950 20 0 CHADMN C[C@@H](CC(C)(C)C)NCc1nc(-c2ccccc2)no1 ZINC000449250005 330909725 /nfs/dbraw/zinc/90/97/25/330909725.db2.gz MXNKXPXNOMCWBA-LBPRGKRZSA-N 0 1 273.380 3.651 20 0 CHADMN Cc1ccccc1-c1nc(CN[C@@H](C)CC(C)(C)C)no1 ZINC000449254997 330910240 /nfs/dbraw/zinc/91/02/40/330910240.db2.gz ASCNWBZLOZCUJE-ZDUSSCGKSA-N 0 1 287.407 3.959 20 0 CHADMN Fc1cnccc1CNC[C@@H](c1ccccc1)C(F)(F)F ZINC000449256792 330910384 /nfs/dbraw/zinc/91/03/84/330910384.db2.gz JXEJRJRSCDHZIF-ZDUSSCGKSA-N 0 1 298.283 3.656 20 0 CHADMN CC(C)=CCN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449277118 330911278 /nfs/dbraw/zinc/91/12/78/330911278.db2.gz DQIXEPQGMIRFBY-NSHDSACASA-N 0 1 255.283 3.647 20 0 CHADMN C[C@H](Cc1ccoc1)NCc1c(F)cc(F)c(F)c1F ZINC000449291158 330912278 /nfs/dbraw/zinc/91/22/78/330912278.db2.gz JQTKMQKAKWIZJQ-MRVPVSSYSA-N 0 1 287.256 3.557 20 0 CHADMN Cc1ncc(CN[C@H](C)c2cccc(C3CC3)c2)cn1 ZINC000449349118 330917193 /nfs/dbraw/zinc/91/71/93/330917193.db2.gz OWHGUCLAEJDPMY-GFCCVEGCSA-N 0 1 267.376 3.513 20 0 CHADMN Fc1cccc2c1CCC[C@H]2NCc1cn2ccccc2n1 ZINC000449351865 330917578 /nfs/dbraw/zinc/91/75/78/330917578.db2.gz RJCVVSIDCYFAFI-QGZVFWFLSA-N 0 1 295.361 3.641 20 0 CHADMN Fc1ccc(-c2ccc(CN3CC4(CC4)C3)o2)cc1 ZINC000449371379 330919553 /nfs/dbraw/zinc/91/95/53/330919553.db2.gz UJQQISKMQIJNFG-UHFFFAOYSA-N 0 1 257.308 3.682 20 0 CHADMN CCCC(CCC)NCc1ncc(C(F)(F)F)cn1 ZINC000449468664 330928141 /nfs/dbraw/zinc/92/81/41/330928141.db2.gz FPDOUHMOWPOMKS-UHFFFAOYSA-N 0 1 275.318 3.554 20 0 CHADMN CCCC[C@@H](CC)NCc1noc(-c2cccs2)n1 ZINC000449553469 330936220 /nfs/dbraw/zinc/93/62/20/330936220.db2.gz LZRUGWZHVLPQIB-LLVKDONJSA-N 0 1 279.409 3.857 20 0 CHADMN CC1(C)COC[C@@H]1NCc1ccc(Oc2ccccc2)o1 ZINC000449626792 330940900 /nfs/dbraw/zinc/94/09/00/330940900.db2.gz XWRWMOPTNCXOKX-HNNXBMFYSA-N 0 1 287.359 3.587 20 0 CHADMN Cc1ccoc1CN[C@H]1CCCN(C)c2ccccc21 ZINC000449654047 330942074 /nfs/dbraw/zinc/94/20/74/330942074.db2.gz UWCRSBOMBRQBTP-HNNXBMFYSA-N 0 1 270.376 3.649 20 0 CHADMN CCc1cccc(F)c1CNCc1cnc(C)cc1C ZINC000449735650 330947108 /nfs/dbraw/zinc/94/71/08/330947108.db2.gz RMICJWQNHCKACH-UHFFFAOYSA-N 0 1 272.367 3.690 20 0 CHADMN C[C@H]1CCC[C@]1(C)C(=O)Nc1cccc(Cl)c1O ZINC000450410359 330977161 /nfs/dbraw/zinc/97/71/61/330977161.db2.gz MSGANJRRKJZYDN-XPTSAGLGSA-N 0 1 267.756 3.810 20 0 CHADMN C1=C(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)CCCC1 ZINC000450804760 331000411 /nfs/dbraw/zinc/00/04/11/331000411.db2.gz YYJZWOKHSUJQMM-QGZVFWFLSA-N 0 1 285.435 3.926 20 0 CHADMN CC(C)c1nnc(CN(C)[C@@H]2CCCC[C@H]2C)s1 ZINC000450813862 331000789 /nfs/dbraw/zinc/00/07/89/331000789.db2.gz WYXYITCKPMXUOE-VXGBXAGGSA-N 0 1 267.442 3.672 20 0 CHADMN C[C@H](N[C@@H]1CCC[C@H]1c1ccccc1)c1csnn1 ZINC000450822883 331001202 /nfs/dbraw/zinc/00/12/02/331001202.db2.gz UKSLLHKXQWHSRX-FPMFFAJLSA-N 0 1 273.405 3.525 20 0 CHADMN CC(C)c1ncc(CN(C)CC2=CCCCC2)cn1 ZINC000450905003 331006260 /nfs/dbraw/zinc/00/62/60/331006260.db2.gz GLXMPSLMFIXZDV-UHFFFAOYSA-N 0 1 259.397 3.532 20 0 CHADMN Cc1nc(SCC[C@@H]2CCOC2)[nH]c1-c1ccccc1 ZINC000450913997 331006927 /nfs/dbraw/zinc/00/69/27/331006927.db2.gz WMAGAKTUSWHJPW-ZDUSSCGKSA-N 0 1 288.416 3.904 20 0 CHADMN CCOC1(C)CCN(Cc2ccc(Cl)c(OC)c2)CC1 ZINC000451056431 331013774 /nfs/dbraw/zinc/01/37/74/331013774.db2.gz HGAWCGLVMVZMAR-UHFFFAOYSA-N 0 1 297.826 3.740 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)[C@H](CC)CC(C)C)n[nH]1 ZINC000451161062 331018141 /nfs/dbraw/zinc/01/81/41/331018141.db2.gz JHZWKKVIHDLLNT-JHJVBQTASA-N 0 1 294.443 3.568 20 0 CHADMN CCCc1noc(CN2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000451181801 331019219 /nfs/dbraw/zinc/01/92/19/331019219.db2.gz IHQYHRGCTDMBNN-YCPHGPKFSA-N 0 1 299.418 3.789 20 0 CHADMN C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](F)C1 ZINC000451191884 331019733 /nfs/dbraw/zinc/01/97/33/331019733.db2.gz SCEIJVZLNIZPJZ-JOYOIKCWSA-N 0 1 261.262 3.810 20 0 CHADMN CS[C@H]1CCN(Cc2nc(-c3ccsc3)oc2C)C1 ZINC000451320002 331024313 /nfs/dbraw/zinc/02/43/13/331024313.db2.gz JTDNYYNGWHHCTN-LBPRGKRZSA-N 0 1 294.445 3.649 20 0 CHADMN Clc1ccc([C@H]2CCCCN2CCn2cccn2)cc1 ZINC000451734647 331040608 /nfs/dbraw/zinc/04/06/08/331040608.db2.gz KNMRPAWYYPFJDS-MRXNPFEDSA-N 0 1 289.810 3.764 20 0 CHADMN C[C@H](c1cc(F)ccc1F)N1CC[C@H](O)CC(C)(C)C1 ZINC000451804146 331042840 /nfs/dbraw/zinc/04/28/40/331042840.db2.gz RRWCEXHGNRAHJE-YPMHNXCESA-N 0 1 283.362 3.509 20 0 CHADMN CC(C)OCCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451830750 331043966 /nfs/dbraw/zinc/04/39/66/331043966.db2.gz DOZVVTCQYDKNSV-HNNXBMFYSA-N 0 1 263.381 3.622 20 0 CHADMN CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(C)c(Cl)c2)C1 ZINC000194761649 331046271 /nfs/dbraw/zinc/04/62/71/331046271.db2.gz UROVBRZAVHELIB-MRXNPFEDSA-N 0 1 281.827 3.633 20 0 CHADMN CC[C@@H](F)CN[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451919283 331047375 /nfs/dbraw/zinc/04/73/75/331047375.db2.gz ZVBPSQUQPCDQBO-OLZOCXBDSA-N 0 1 294.197 3.539 20 0 CHADMN Fc1ccc([C@@H]2CCCN2CCc2ccccn2)c(F)c1 ZINC000451966089 331048770 /nfs/dbraw/zinc/04/87/70/331048770.db2.gz LQJVAPSZIPBPQJ-KRWDZBQOSA-N 0 1 288.341 3.739 20 0 CHADMN Cc1cc(CN2CCC[C@@H]2c2ccc(F)cc2C)on1 ZINC000451973799 331049108 /nfs/dbraw/zinc/04/91/08/331049108.db2.gz RGLBMTNJVDAQBS-MRXNPFEDSA-N 0 1 274.339 3.768 20 0 CHADMN CC(C)(C)C[C@@H]1CCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000452069338 331052738 /nfs/dbraw/zinc/05/27/38/331052738.db2.gz DSAHIUYPLAXCPO-LBPRGKRZSA-N 0 1 289.379 3.588 20 0 CHADMN CCC[C@@H](O)CN[C@@H](C)c1cc(Cl)sc1Cl ZINC000163596339 331060497 /nfs/dbraw/zinc/06/04/97/331060497.db2.gz LMKLYHDAVGDYQB-JGVFFNPUSA-N 0 1 282.236 3.867 20 0 CHADMN CSc1ccccc1[C@@H](C)NCc1cccc(C)n1 ZINC000194859416 331066370 /nfs/dbraw/zinc/06/63/70/331066370.db2.gz UJJVCWGOUJBHIN-CYBMUJFWSA-N 0 1 272.417 3.963 20 0 CHADMN CC(C)C[C@]1(C)CCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000452514338 331067142 /nfs/dbraw/zinc/06/71/42/331067142.db2.gz SPOWORKPKRRSND-INIZCTEOSA-N 0 1 277.412 3.574 20 0 CHADMN CC(C)C[C@@]1(C)CCCN1C(=O)c1c(O)cccc1F ZINC000452513808 331067163 /nfs/dbraw/zinc/06/71/63/331067163.db2.gz RMCYQSRMGFIPFQ-MRXNPFEDSA-N 0 1 279.355 3.572 20 0 CHADMN CC(C)=CCC[C@@H](C)NC(=O)c1c(C)n[nH]c1C(C)C ZINC000452542810 331068026 /nfs/dbraw/zinc/06/80/26/331068026.db2.gz OLRJPSCCDSCSCL-GFCCVEGCSA-N 0 1 277.412 3.706 20 0 CHADMN CSc1ccccc1[C@H](C)N[C@H](CO)c1ccccc1 ZINC000194893171 331072042 /nfs/dbraw/zinc/07/20/42/331072042.db2.gz YPRRTKIXHBBYTP-XJKSGUPXSA-N 0 1 287.428 3.793 20 0 CHADMN CCn1ccnc1[C@@H](C)N[C@H](C)c1cc(C)ccc1C ZINC000453052203 331084938 /nfs/dbraw/zinc/08/49/38/331084938.db2.gz BZRIMLFVLIDQJS-HUUCEWRRSA-N 0 1 271.408 3.932 20 0 CHADMN CCCCOc1cccc(CN[C@@H](C)c2ccncn2)c1 ZINC000453069633 331086399 /nfs/dbraw/zinc/08/63/99/331086399.db2.gz UDLMPIGKMVEYMX-AWEZNQCLSA-N 0 1 285.391 3.506 20 0 CHADMN COc1ccc([C@H](N[C@H](C)c2ccncn2)C(C)C)cc1 ZINC000453082064 331087345 /nfs/dbraw/zinc/08/73/45/331087345.db2.gz KSMDROAQFWEPQI-CXAGYDPISA-N 0 1 285.391 3.533 20 0 CHADMN C[C@H](NCc1cccc(COC(C)(C)C)c1)c1ccncn1 ZINC000453089556 331088055 /nfs/dbraw/zinc/08/80/55/331088055.db2.gz KEMODBHEOHVSHA-AWEZNQCLSA-N 0 1 299.418 3.643 20 0 CHADMN C[C@@H](N[C@H](C)c1ccccc1C(F)(F)F)c1ccncn1 ZINC000453103029 331089343 /nfs/dbraw/zinc/08/93/43/331089343.db2.gz WDPNSQPWSQPJLU-GHMZBOCLSA-N 0 1 295.308 3.907 20 0 CHADMN CCCCO[C@@H]1C[C@H](N[C@H](C)c2nccn2CC)C1(C)C ZINC000453129593 331092307 /nfs/dbraw/zinc/09/23/07/331092307.db2.gz KFFPTBOGPJBNEY-QLFBSQMISA-N 0 1 293.455 3.537 20 0 CHADMN CC[C@H](N[C@@H](COC)c1ccccc1)c1ccncc1 ZINC000453138198 331093154 /nfs/dbraw/zinc/09/31/54/331093154.db2.gz IWXYHVDXTQZETN-IRXDYDNUSA-N 0 1 270.376 3.510 20 0 CHADMN CC[C@@H](N[C@@H](COC)c1ccc(F)cc1)c1ccncc1 ZINC000453150962 331094562 /nfs/dbraw/zinc/09/45/62/331094562.db2.gz NDPPEUADAKANCY-SJORKVTESA-N 0 1 288.366 3.649 20 0 CHADMN CCn1ccnc1[C@H](C)N[C@@H]1CCc2c1cccc2C ZINC000453158444 331095377 /nfs/dbraw/zinc/09/53/77/331095377.db2.gz LNOXYACMZOSMIH-XJKSGUPXSA-N 0 1 269.392 3.550 20 0 CHADMN CC[C@H](N[C@@H]1COc2c1ccc(C)c2C)c1ccncc1 ZINC000453160484 331095618 /nfs/dbraw/zinc/09/56/18/331095618.db2.gz OUMKAACTEXBJMX-DLBZAZTESA-N 0 1 282.387 3.873 20 0 CHADMN C[C@@H]1C[C@H](N[C@H]2C[C@@H](C)n3ccnc32)c2ccccc21 ZINC000453163488 331095915 /nfs/dbraw/zinc/09/59/15/331095915.db2.gz SJCTVSICUKGIRG-MPTQWLOMSA-N 0 1 267.376 3.727 20 0 CHADMN CC(C)=CCN[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453206082 331101345 /nfs/dbraw/zinc/10/13/45/331101345.db2.gz HQQXXYJCVKIOIC-CQSZACIVSA-N 0 1 269.392 3.704 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2c(F)cccc21)c1ccn(C)n1 ZINC000453222722 331103250 /nfs/dbraw/zinc/10/32/50/331103250.db2.gz ANZYFIUBVGOACL-CVEARBPZSA-N 0 1 287.382 3.678 20 0 CHADMN C[C@H](NC1CC(C)(F)C1)c1nc(C(F)(F)F)cs1 ZINC000453238583 331105539 /nfs/dbraw/zinc/10/55/39/331105539.db2.gz OIPTXYDQIZEGTF-MLMMTNJESA-N 0 1 282.306 3.703 20 0 CHADMN CC[C@@H](N[C@H]1CCCc2c(F)cccc21)c1nccn1C ZINC000453241768 331106192 /nfs/dbraw/zinc/10/61/92/331106192.db2.gz WDTWLJIKEBFCFX-CVEARBPZSA-N 0 1 287.382 3.678 20 0 CHADMN CC[C@@H](NCc1ccc2cc[nH]c2n1)c1ccsc1 ZINC000453264174 331108962 /nfs/dbraw/zinc/10/89/62/331108962.db2.gz ZVQPTGGXZGDJCH-CQSZACIVSA-N 0 1 271.389 3.865 20 0 CHADMN CCc1nc(C)c([C@H](C)NCc2ccnc(C)c2)s1 ZINC000453285462 331111015 /nfs/dbraw/zinc/11/10/15/331111015.db2.gz IXMKNCDGBRIBHP-NSHDSACASA-N 0 1 275.421 3.568 20 0 CHADMN COC[C@H](NCc1ccnc(C)c1)c1ccc(Cl)cc1 ZINC000453294713 331112298 /nfs/dbraw/zinc/11/22/98/331112298.db2.gz QSXLKKQXCUFNES-INIZCTEOSA-N 0 1 290.794 3.521 20 0 CHADMN CCC1(N[C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000453300175 331113129 /nfs/dbraw/zinc/11/31/29/331113129.db2.gz VMYQLLZSDLRYGR-ZETCQYMHSA-N 0 1 264.316 3.755 20 0 CHADMN CC[C@@]1(C(C)C)C[C@@H]1NCc1ncc(Cl)s1 ZINC000453616031 331136721 /nfs/dbraw/zinc/13/67/21/331136721.db2.gz RFKZUGYRPXJQER-CABZTGNLSA-N 0 1 258.818 3.711 20 0 CHADMN Cc1ccc([C@H](C)NCc2cnc(C3CC3)o2)s1 ZINC000453356557 331121625 /nfs/dbraw/zinc/12/16/25/331121625.db2.gz MVEQZZVPKJURGV-JTQLQIEISA-N 0 1 262.378 3.773 20 0 CHADMN CCc1ncc(CN[C@H]2C[C@H](C)c3ccccc32)o1 ZINC000453368725 331123830 /nfs/dbraw/zinc/12/38/30/331123830.db2.gz HTDPVNVVNPIJBV-NHYWBVRUSA-N 0 1 256.349 3.575 20 0 CHADMN COc1cccnc1CN[C@H](C)c1cc(C)c(C)cc1C ZINC000453382755 331126138 /nfs/dbraw/zinc/12/61/38/331126138.db2.gz ZNYVWHKKXKCEQV-OAHLLOKOSA-N 0 1 284.403 3.866 20 0 CHADMN CCCc1ncc(CN[C@H]2C[C@@H](C)c3ccccc32)o1 ZINC000453389118 331127065 /nfs/dbraw/zinc/12/70/65/331127065.db2.gz PNTHNKBDGHUWJM-WBMJQRKESA-N 0 1 270.376 3.965 20 0 CHADMN CCc1ncc(CN[C@@H]2CC[C@H](C)c3ccccc32)o1 ZINC000453394651 331127769 /nfs/dbraw/zinc/12/77/69/331127769.db2.gz SMFLMGSLLILSDK-BLLLJJGKSA-N 0 1 270.376 3.965 20 0 CHADMN CCCc1ncc(CN[C@@H](C)c2sccc2C)o1 ZINC000453401730 331128809 /nfs/dbraw/zinc/12/88/09/331128809.db2.gz ZNVGDUHOHFLLSD-NSHDSACASA-N 0 1 264.394 3.848 20 0 CHADMN CC[C@]1(C(C)C)C[C@@H]1N[C@H](c1ccccc1)c1ccncn1 ZINC000453462892 331132627 /nfs/dbraw/zinc/13/26/27/331132627.db2.gz XNEZZELAAJYZMJ-IPMKNSEASA-N 0 1 295.430 3.980 20 0 CHADMN CC(C)[C@@H]1C[C@@H](Nc2ccc3cnccc3c2)CCO1 ZINC000453610412 331136318 /nfs/dbraw/zinc/13/63/18/331136318.db2.gz HEILIKIIXDETET-IRXDYDNUSA-N 0 1 270.376 3.850 20 0 CHADMN CC(C)[C@H]1C[C@H](Nc2ccc3cnccc3c2)CCO1 ZINC000453610411 331136378 /nfs/dbraw/zinc/13/63/78/331136378.db2.gz HEILIKIIXDETET-IAGOWNOFSA-N 0 1 270.376 3.850 20 0 CHADMN COC[C@@H](CC(C)C)Nc1ccc2cnccc2c1 ZINC000453617153 331136848 /nfs/dbraw/zinc/13/68/48/331136848.db2.gz PINNTIMYNIHSEK-MRXNPFEDSA-N 0 1 258.365 3.708 20 0 CHADMN COc1cnccc1[C@H](C)NCc1ccc(C)c(Cl)c1 ZINC000195450895 331173836 /nfs/dbraw/zinc/17/38/36/331173836.db2.gz PMCKCARDWLUDCX-LBPRGKRZSA-N 0 1 290.794 3.903 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC[C@H](CC(C)(C)C)C1 ZINC000457013045 331210279 /nfs/dbraw/zinc/21/02/79/331210279.db2.gz JKGZTBOMOFLLNB-CYBMUJFWSA-N 0 1 291.439 3.740 20 0 CHADMN CCc1cccc(N(C)C(=O)c2c(C)n[nH]c2C(C)C)c1 ZINC000457321534 331219058 /nfs/dbraw/zinc/21/90/58/331219058.db2.gz ARDQEHZYGHJZPH-UHFFFAOYSA-N 0 1 285.391 3.681 20 0 CHADMN CCCN(Cc1cnnn1CC)[C@H](CC)c1ccccc1 ZINC000459328908 331276373 /nfs/dbraw/zinc/27/63/73/331276373.db2.gz PKWIAZDTHFPSSP-QGZVFWFLSA-N 0 1 286.423 3.661 20 0 CHADMN COC[C@H]1CCCN(Cc2c(F)cc(C)cc2Cl)C1 ZINC000459357668 331277896 /nfs/dbraw/zinc/27/78/96/331277896.db2.gz WAYUBAWOZHJWOY-LBPRGKRZSA-N 0 1 285.790 3.646 20 0 CHADMN Cc1cc(F)c(CN2CCC[C@H]3COCC[C@@H]32)c(Cl)c1 ZINC000459361027 331278208 /nfs/dbraw/zinc/27/82/08/331278208.db2.gz RRTMDUHDUOTTAJ-LRDDRELGSA-N 0 1 297.801 3.788 20 0 CHADMN FC1(F)CCC(CN2CCOC[C@@H]2c2ccccc2)CC1 ZINC000459371107 331278725 /nfs/dbraw/zinc/27/87/25/331278725.db2.gz YFGIGTNNUMNNOZ-MRXNPFEDSA-N 0 1 295.373 3.885 20 0 CHADMN Cc1cccc(CN(C)Cc2ccc(C3CC3)cc2)n1 ZINC000459380892 331279282 /nfs/dbraw/zinc/27/92/82/331279282.db2.gz UGNGHAUNHYMHCO-UHFFFAOYSA-N 0 1 266.388 3.899 20 0 CHADMN CC(C)(C)c1ccc(CNCc2cnc(C3CC3)nc2)cc1 ZINC000459393071 331279829 /nfs/dbraw/zinc/27/98/29/331279829.db2.gz VGRLZGIXHMBKPP-UHFFFAOYSA-N 0 1 295.430 3.941 20 0 CHADMN Cc1cc(CNCC2(c3ccc(Cl)cc3)CCC2)no1 ZINC000459411250 331280394 /nfs/dbraw/zinc/28/03/94/331280394.db2.gz NWYNVLZNRWDSFB-UHFFFAOYSA-N 0 1 290.794 3.848 20 0 CHADMN CC(C)(C)c1nnc(CNC2CC(C(C)(C)C)C2)s1 ZINC000459431150 331281002 /nfs/dbraw/zinc/28/10/02/331281002.db2.gz DNNFLDKGPPHQQL-UHFFFAOYSA-N 0 1 281.469 3.750 20 0 CHADMN CC[C@H]1Cc2ccccc2CN1Cc1cnc(C2CC2)nc1 ZINC000459474477 331283572 /nfs/dbraw/zinc/28/35/72/331283572.db2.gz FDBUPHGZPHDDAF-SFHVURJKSA-N 0 1 293.414 3.691 20 0 CHADMN FC(F)c1ccc(CNCc2cnc(C3CC3)nc2)cc1 ZINC000459485992 331284455 /nfs/dbraw/zinc/28/44/55/331284455.db2.gz VWYQUAWIYFRLIS-UHFFFAOYSA-N 0 1 289.329 3.581 20 0 CHADMN CCC1(CC)CCCN(Cc2cc(COC)on2)CC1 ZINC000459490915 331284766 /nfs/dbraw/zinc/28/47/66/331284766.db2.gz CDHUYORCGILYJO-UHFFFAOYSA-N 0 1 280.412 3.613 20 0 CHADMN CCCn1nc(C)c(CN2CC(CC)(CC)C2)c1C ZINC000459575820 331288796 /nfs/dbraw/zinc/28/87/96/331288796.db2.gz CKJMWHRLVVQZRR-UHFFFAOYSA-N 0 1 263.429 3.532 20 0 CHADMN c1cc(-c2n[nH]cc2CN2CC3(C2)CCCCC3)cs1 ZINC000459594165 331289925 /nfs/dbraw/zinc/28/99/25/331289925.db2.gz KEXASXLPYPZSOA-UHFFFAOYSA-N 0 1 287.432 3.904 20 0 CHADMN CCc1ncc(CN2CC(C3CCCCC3)C2)s1 ZINC000459597118 331290054 /nfs/dbraw/zinc/29/00/54/331290054.db2.gz UULMWZVHFYMKLN-UHFFFAOYSA-N 0 1 264.438 3.718 20 0 CHADMN Cc1ccsc1CN1CC(C)(CC(F)(F)F)C1 ZINC000459631539 331291227 /nfs/dbraw/zinc/29/12/27/331291227.db2.gz CUIWOMLUIBYWGW-UHFFFAOYSA-N 0 1 263.328 3.831 20 0 CHADMN CC1(CC(F)(F)F)CN(Cc2cccc3cc[nH]c32)C1 ZINC000459641524 331291746 /nfs/dbraw/zinc/29/17/46/331291746.db2.gz QZULOSMSEJSFEL-UHFFFAOYSA-N 0 1 282.309 3.942 20 0 CHADMN CCn1ccnc1CN(C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459687929 331294486 /nfs/dbraw/zinc/29/44/86/331294486.db2.gz XXJVYQROCHGPPL-IAGOWNOFSA-N 0 1 283.419 3.671 20 0 CHADMN CN(Cc1coc(-c2ccccc2)n1)C1CC(C)(C)C1 ZINC000459743107 331297584 /nfs/dbraw/zinc/29/75/84/331297584.db2.gz WENWWJIMGBPJKF-UHFFFAOYSA-N 0 1 270.376 3.962 20 0 CHADMN [O-]c1cccc(C[NH2+]C2(C3CCC3)CCC2)c1Cl ZINC000459748645 331298096 /nfs/dbraw/zinc/29/80/96/331298096.db2.gz OQHPZUIZQXNFKD-UHFFFAOYSA-N 0 1 265.784 3.858 20 0 CHADMN Cc1cc(CN2CC3(CCCCC3)[C@@H]2C(C)C)no1 ZINC000459789182 331301070 /nfs/dbraw/zinc/30/10/70/331301070.db2.gz QGXREUUUYWVLNE-HNNXBMFYSA-N 0 1 262.397 3.774 20 0 CHADMN COc1ccc(CNc2cc3c(cn2)CCCC3)c(OC)c1 ZINC000461207301 331311932 /nfs/dbraw/zinc/31/19/32/331311932.db2.gz JDUSXWGAGRXAMU-UHFFFAOYSA-N 0 1 298.386 3.590 20 0 CHADMN CC[C@H]1CN(c2ccccc2)CCN1CCC(F)(F)F ZINC000461375862 331312568 /nfs/dbraw/zinc/31/25/68/331312568.db2.gz LDXOMSVEFUMWPR-ZDUSSCGKSA-N 0 1 286.341 3.540 20 0 CHADMN CCN1CCCC[C@H]1C(=O)Nc1cccc(C2CCC2)c1 ZINC000462724990 331325611 /nfs/dbraw/zinc/32/56/11/331325611.db2.gz LDYDTOFQXJDHLN-KRWDZBQOSA-N 0 1 286.419 3.767 20 0 CHADMN Cc1ccc(O[C@@H](C)CNCc2c(F)cccc2F)cc1 ZINC000462741165 331326791 /nfs/dbraw/zinc/32/67/91/331326791.db2.gz SLQFKNPGBJKGSU-ZDUSSCGKSA-N 0 1 291.341 3.830 20 0 CHADMN COc1ccc(F)cc1CNC/C=C/c1ccccc1 ZINC000462785623 331328998 /nfs/dbraw/zinc/32/89/98/331328998.db2.gz PZWMFPMTWULMFI-VMPITWQZSA-N 0 1 271.335 3.637 20 0 CHADMN C=Cc1ccc(CCNCc2ncc(Cl)s2)cc1 ZINC000462908718 331334685 /nfs/dbraw/zinc/33/46/85/331334685.db2.gz ZLBDZPAPMCESOQ-UHFFFAOYSA-N 0 1 278.808 3.772 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H](C)[C@H](C)CC)c1 ZINC000462921979 331335153 /nfs/dbraw/zinc/33/51/53/331335153.db2.gz LMMDJKMNTCICJT-MNOVXSKESA-N 0 1 277.364 3.606 20 0 CHADMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H](C)C(CC)CC)c1 ZINC000462919980 331335185 /nfs/dbraw/zinc/33/51/85/331335185.db2.gz VHDQATBVOMMFAN-NSHDSACASA-N 0 1 291.391 3.996 20 0 CHADMN CC(C)[C@H]1CN(c2ccnc3cc(F)ccc32)CCS1 ZINC000463017799 331337072 /nfs/dbraw/zinc/33/70/72/331337072.db2.gz XKBGDFGSVAGZKI-MRXNPFEDSA-N 0 1 290.407 3.952 20 0 CHADMN CCCCN1C(=O)N=NC1S[C@@H](C)c1cccc(C)c1 ZINC000463047565 331338571 /nfs/dbraw/zinc/33/85/71/331338571.db2.gz HSTMJQFKAITUFW-LBPRGKRZSA-N 0 1 291.420 3.946 20 0 CHADMN CCC(CC)[C@@H](NC(=O)c1[nH]nc(C)c1C)c1ccccc1 ZINC000464303532 331359435 /nfs/dbraw/zinc/35/94/35/331359435.db2.gz ASVXMIXBYNULSS-QGZVFWFLSA-N 0 1 299.418 3.934 20 0 CHADMN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC(C)(C)C1 ZINC000464793691 331368745 /nfs/dbraw/zinc/36/87/45/331368745.db2.gz JWQPYCBFPVHVTP-LBPRGKRZSA-N 0 1 294.826 3.707 20 0 CHADMN CCc1ccc(-c2noc(CN3C[C@@H](C)CC[C@@H]3C)n2)cc1 ZINC000464812646 331369447 /nfs/dbraw/zinc/36/94/47/331369447.db2.gz FWPQWZJDUDBTTK-KBPBESRZSA-N 0 1 299.418 3.919 20 0 CHADMN Cc1ccc2nc(CNC(=O)C[C@H](C)C(C)(C)C)[nH]c2c1 ZINC000465195462 331380284 /nfs/dbraw/zinc/38/02/84/331380284.db2.gz UKIYCZVDTKUKAK-LBPRGKRZSA-N 0 1 287.407 3.560 20 0 CHADMN COC1(CNc2ccc(Cl)c(CN(C)C)c2)CCCC1 ZINC000466421428 331396287 /nfs/dbraw/zinc/39/62/87/331396287.db2.gz LBJHVZZEDQVGKZ-UHFFFAOYSA-N 0 1 296.842 3.773 20 0 CHADMN CN(C)Cc1cc(N[C@H]2CCCSC2)ccc1Cl ZINC000466421578 331396292 /nfs/dbraw/zinc/39/62/92/331396292.db2.gz FYYPADWCQYZNFV-ZDUSSCGKSA-N 0 1 284.856 3.709 20 0 CHADMN CCC1(CNc2ccnc3cc(F)ccc32)CCOCC1 ZINC000466632628 331401039 /nfs/dbraw/zinc/40/10/39/331401039.db2.gz APXNJGXEVWEJCD-UHFFFAOYSA-N 0 1 288.366 3.993 20 0 CHADMN C[C@@H](Nc1ccc(Cl)c(CN(C)C)c1)[C@H]1CCCOC1 ZINC000467444266 331419663 /nfs/dbraw/zinc/41/96/63/331419663.db2.gz GQTDHPBVCSOEBR-OLZOCXBDSA-N 0 1 296.842 3.629 20 0 CHADMN COc1cccc2c1CC[C@H]2N[C@H]1COc2ccc(F)cc21 ZINC000468033128 331427164 /nfs/dbraw/zinc/42/71/64/331427164.db2.gz GTGGCEZECPRHFM-CVEARBPZSA-N 0 1 299.345 3.545 20 0 CHADMN Cc1ccsc1[C@H](C)N[C@@H]1COc2ccc(F)cc21 ZINC000468049931 331427718 /nfs/dbraw/zinc/42/77/18/331427718.db2.gz KNCQATQSGALLAW-GXFFZTMASA-N 0 1 277.364 3.980 20 0 CHADMN CC(C)c1ccc(CCN[C@@H](C)c2ccon2)cc1 ZINC000470314181 331479225 /nfs/dbraw/zinc/47/92/25/331479225.db2.gz RBOIAESJGYZWGE-ZDUSSCGKSA-N 0 1 258.365 3.691 20 0 CHADMN C[C@@H](CC(C)(C)C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000470699666 331487494 /nfs/dbraw/zinc/48/74/94/331487494.db2.gz BPOYCRYORRWHER-QWHCGFSZSA-N 0 1 296.480 3.539 20 0 CHADMN Cc1ccc2[nH]c(CNCc3ncccc3C)cc2c1C ZINC000472073183 331528647 /nfs/dbraw/zinc/52/86/47/331528647.db2.gz HNSKMIPFVZXUAY-UHFFFAOYSA-N 0 1 279.387 3.778 20 0 CHADMN Cc1noc([C@H](C)NC[C@H](CC(C)C)c2ccccc2)n1 ZINC000475192128 331617178 /nfs/dbraw/zinc/61/71/78/331617178.db2.gz ABHXABITBPFZPT-BBRMVZONSA-N 0 1 287.407 3.859 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N1C[C@@H](C)[C@H](C)C1 ZINC000475368796 331629553 /nfs/dbraw/zinc/62/95/53/331629553.db2.gz FWXXIJQSJGNZKM-IJLUTSLNSA-N 0 1 250.386 3.621 20 0 CHADMN COC(=O)c1ccc(Cl)c(CN2CCCCCC2)c1 ZINC000511108600 332927269 /nfs/dbraw/zinc/92/72/69/332927269.db2.gz IOLWUJRLCQPXGN-UHFFFAOYSA-N 0 1 281.783 3.503 20 0 CHADMN C[C@H](NCCO[C@H]1CCCC[C@H]1C)c1ccc(Cl)cn1 ZINC000480229038 331763961 /nfs/dbraw/zinc/76/39/61/331763961.db2.gz SDHVPMMPRALFKP-WWGRRREGSA-N 0 1 296.842 3.981 20 0 CHADMN CC1(C)CCCC[C@@H]1NCc1noc(-c2ccccc2)n1 ZINC000481175952 331800161 /nfs/dbraw/zinc/80/01/61/331800161.db2.gz QNVNJVDTAKIMDC-AWEZNQCLSA-N 0 1 285.391 3.795 20 0 CHADMN CC(C)=CCC[C@H](C)CCN[C@H](C)c1nc(C)no1 ZINC000482457110 331833638 /nfs/dbraw/zinc/83/36/38/331833638.db2.gz JJKMHCAWDSBEBY-QWHCGFSZSA-N 0 1 265.401 3.801 20 0 CHADMN Cc1cnc([C@H](NC/C=C\c2ccncc2)C2CC2)s1 ZINC000487293627 331963761 /nfs/dbraw/zinc/96/37/61/331963761.db2.gz DHVCDSDYVFVGGS-MPNWYJEXSA-N 0 1 285.416 3.601 20 0 CHADMN Fc1cc(Cl)ccc1CNC/C=C\c1ccncc1 ZINC000487563422 331974935 /nfs/dbraw/zinc/97/49/35/331974935.db2.gz URQSULFHZISUMF-UPHRSURJSA-N 0 1 276.742 3.677 20 0 CHADMN CC(C)c1nnc(CN[C@H]2CS[C@@H](C(C)(C)C)C2)s1 ZINC000488446399 332009674 /nfs/dbraw/zinc/00/96/74/332009674.db2.gz KGZGDSZYRKNSJG-GHMZBOCLSA-N 0 1 299.509 3.671 20 0 CHADMN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1cnoc1C ZINC000488775499 332025233 /nfs/dbraw/zinc/02/52/33/332025233.db2.gz LPAUGKKNQNHVPN-KRWDZBQOSA-N 0 1 286.375 3.501 20 0 CHADMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1coc2ccccc12 ZINC000488914130 332033540 /nfs/dbraw/zinc/03/35/40/332033540.db2.gz IWVHRYVTJMIPPJ-UHFFFAOYSA-N 0 1 295.273 3.701 20 0 CHADMN Cc1nc(C[N@H+](C)[C@H](C)Cc2ccccc2C)cs1 ZINC000489103324 332041422 /nfs/dbraw/zinc/04/14/22/332041422.db2.gz OTERIZYRXSMYDG-CYBMUJFWSA-N 0 1 274.433 3.823 20 0 CHADMN Cc1nc(CN(C)[C@H](C)Cc2ccccc2C)cs1 ZINC000489103324 332041423 /nfs/dbraw/zinc/04/14/23/332041423.db2.gz OTERIZYRXSMYDG-CYBMUJFWSA-N 0 1 274.433 3.823 20 0 CHADMN CCCCc1noc([C@H](C)N(CC)C[C@H](C)CC)n1 ZINC000489351710 332048038 /nfs/dbraw/zinc/04/80/38/332048038.db2.gz CAXJLFAINZHQSI-OLZOCXBDSA-N 0 1 267.417 3.841 20 0 CHADMN CC(C)C[C@@H]1CCCCCN1Cc1ncnn1CC(C)C ZINC000490084295 332080789 /nfs/dbraw/zinc/08/07/89/332080789.db2.gz INPOWNZPWUXPCI-INIZCTEOSA-N 0 1 292.471 3.725 20 0 CHADMN Cc1ccccc1-c1nc(CN(C)C2(C)CCCC2)no1 ZINC000490214991 332084605 /nfs/dbraw/zinc/08/46/05/332084605.db2.gz HPCWEHPMGDPZOK-UHFFFAOYSA-N 0 1 285.391 3.810 20 0 CHADMN COc1c(O)cccc1C[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000490373763 332087854 /nfs/dbraw/zinc/08/78/54/332087854.db2.gz SKLIPGLTZNXMQT-WMLDXEAASA-N 0 1 297.398 3.779 20 0 CHADMN Fc1ccc(Br)c(CN2CC[C@H](C3CC3)C2)c1 ZINC000491218644 332167757 /nfs/dbraw/zinc/16/77/57/332167757.db2.gz TUVILIGJPWNJGR-NSHDSACASA-N 0 1 298.199 3.820 20 0 CHADMN Cc1cc([C@@H]2CN(CCc3ccccc3)CCO2)ccc1F ZINC000491232623 332171494 /nfs/dbraw/zinc/17/14/94/332171494.db2.gz PMEXCZLJKJGCHR-IBGZPJMESA-N 0 1 299.389 3.750 20 0 CHADMN C[C@H](c1c(F)cccc1F)N(C)C[C@H]1CCO[C@H](C)C1 ZINC000491238204 332171778 /nfs/dbraw/zinc/17/17/78/332171778.db2.gz GNDRDZPQYKGREF-UPJWGTAASA-N 0 1 283.362 3.773 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)C1CCCCC1 ZINC000172112439 335095249 /nfs/dbraw/zinc/09/52/49/335095249.db2.gz PKIVGGPIOSRVHA-UHFFFAOYSA-N 0 1 253.729 3.564 20 0 CHADMN O=C(Nc1cccc(Cl)c1O)c1ccccc1Cl ZINC000172108704 335095313 /nfs/dbraw/zinc/09/53/13/335095313.db2.gz JPSRYOMDCRTISZ-UHFFFAOYSA-N 0 1 282.126 3.951 20 0 CHADMN CC(C)[C@@H]1CCCCN1Cc1nccn1Cc1ccccc1 ZINC000172251802 335098712 /nfs/dbraw/zinc/09/87/12/335098712.db2.gz UCLJEDVKTKXPEC-SFHVURJKSA-N 0 1 297.446 3.942 20 0 CHADMN CCC(C)(C)c1ccc(C[N@@H+](C)C[C@@H](C)C(=O)[O-])cc1 ZINC000575412631 335102191 /nfs/dbraw/zinc/10/21/91/335102191.db2.gz HOXXHSLGSVOUNV-CYBMUJFWSA-N 0 1 277.408 3.527 20 0 CHADMN Cc1n[nH]c(C(F)F)c1NC(=O)C=Cc1cccc(C)c1 ZINC000492320013 332392357 /nfs/dbraw/zinc/39/23/57/332392357.db2.gz NMARGNVDWASMQL-VOTSOKGWSA-N 0 1 291.301 3.616 20 0 CHADMN CCCc1csc(CN[C@@H]2CCCC(F)(F)C2)n1 ZINC000494194773 332466301 /nfs/dbraw/zinc/46/63/01/332466301.db2.gz JWUVDEMKXJFEII-SNVBAGLBSA-N 0 1 274.380 3.763 20 0 CHADMN C[C@@H]1CSCCN1Cc1cnc(-c2ccccc2)s1 ZINC000172591705 335109809 /nfs/dbraw/zinc/10/98/09/335109809.db2.gz NKCVKJZSJJSAOE-GFCCVEGCSA-N 0 1 290.457 3.747 20 0 CHADMN Cn1cccc1CNCc1ccc(Oc2ccccc2)nc1 ZINC000172628686 335113259 /nfs/dbraw/zinc/11/32/59/335113259.db2.gz GTZKZSJTWOUKIZ-UHFFFAOYSA-N 0 1 293.370 3.502 20 0 CHADMN CCc1nc(C)c(CNC/C=C\c2ccc(F)c(F)c2)o1 ZINC000494364343 332471244 /nfs/dbraw/zinc/47/12/44/332471244.db2.gz FFFIFNDSRNJPLR-PLNGDYQASA-N 0 1 292.329 3.627 20 0 CHADMN CCc1nc(C)c(CNCc2cc3c(ccc(C)c3C)[nH]2)o1 ZINC000494358918 332471329 /nfs/dbraw/zinc/47/13/29/332471329.db2.gz QAUUTPROMKIHFY-UHFFFAOYSA-N 0 1 297.402 3.933 20 0 CHADMN Cc1c2ccccc2oc1CNCc1cncc(F)c1 ZINC000494578952 332478518 /nfs/dbraw/zinc/47/85/18/332478518.db2.gz KVMCLUSHUZMEMN-UHFFFAOYSA-N 0 1 270.307 3.565 20 0 CHADMN CSc1ccccc1CN[C@@H](CO)c1sccc1C ZINC000494626353 332480630 /nfs/dbraw/zinc/48/06/30/332480630.db2.gz PDMWHHQNOQMSJR-ZDUSSCGKSA-N 0 1 293.457 3.602 20 0 CHADMN Cc1ncc(CN[C@H]2CCc3ccc(C(C)C)cc32)cn1 ZINC000495161168 332509500 /nfs/dbraw/zinc/50/95/00/332509500.db2.gz VSLRYJDCHNCEGT-SFHVURJKSA-N 0 1 281.403 3.686 20 0 CHADMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](C)[C@@H]1C ZINC000248326971 334298190 /nfs/dbraw/zinc/29/81/90/334298190.db2.gz CDOZVFOESPZCQM-WOPDTQHZSA-N 0 1 250.386 3.763 20 0 CHADMN Cc1cnc([C@H](C)N[C@H]2CC[C@@H](c3ccccc3)C2)o1 ZINC000500399259 332606745 /nfs/dbraw/zinc/60/67/45/332606745.db2.gz SKKOADCVZIOIBM-IMJJTQAJSA-N 0 1 270.376 3.970 20 0 CHADMN CC[C@@H](CN[C@@H](C)c1ncc(C)o1)c1ccccc1 ZINC000500423939 332608353 /nfs/dbraw/zinc/60/83/53/332608353.db2.gz UOWUPWUTPRIZSC-KBPBESRZSA-N 0 1 258.365 3.827 20 0 CHADMN C[C@@H]1C[C@@]1(NCc1ccccn1)c1ccc(Cl)cc1 ZINC000500461383 332610156 /nfs/dbraw/zinc/61/01/56/332610156.db2.gz JBPPHIHDVAYRKM-WBMJQRKESA-N 0 1 272.779 3.760 20 0 CHADMN CC[C@H]1C[C@@]1(NCc1cncs1)c1cccc(C)c1 ZINC000500479956 332610672 /nfs/dbraw/zinc/61/06/72/332610672.db2.gz CZOFFAZBEJTYCW-BBRMVZONSA-N 0 1 272.417 3.867 20 0 CHADMN C[C@]1(C(=O)Nc2cc(F)cc(Cl)c2O)C[C@H]2C[C@H]2C1 ZINC000500653893 332615412 /nfs/dbraw/zinc/61/54/12/332615412.db2.gz STTWKKNLHSEYAF-ATTMTXSRSA-N 0 1 283.730 3.559 20 0 CHADMN C[C@H](CCC1CCCCC1)NCc1ncnn1C(C)(C)C ZINC000503115618 332681798 /nfs/dbraw/zinc/68/17/98/332681798.db2.gz DVZFROKTYHBYBG-CQSZACIVSA-N 0 1 292.471 3.872 20 0 CHADMN COC[C@H](C)Nc1ccc(N2CCCCCC2)cc1C ZINC000504393960 332710734 /nfs/dbraw/zinc/71/07/34/332710734.db2.gz KUTDSVRLAJIHSS-HNNXBMFYSA-N 0 1 276.424 3.822 20 0 CHADMN Cc1nn2c(CN3CCCCCC3)c(C(C)C)nc2s1 ZINC000505468474 332741648 /nfs/dbraw/zinc/74/16/48/332741648.db2.gz VCAVDRJOTKGPLS-UHFFFAOYSA-N 0 1 292.452 3.599 20 0 CHADMN CCc1ccccc1CNCc1c(OC)cccc1OC ZINC000512036881 332951268 /nfs/dbraw/zinc/95/12/68/332951268.db2.gz CFYMXOJLHRYXSK-UHFFFAOYSA-N 0 1 285.387 3.556 20 0 CHADMN COc1cccc(OC)c1CNCc1c(C)cc(C)cc1C ZINC000512113369 332954198 /nfs/dbraw/zinc/95/41/98/332954198.db2.gz IOGHNWOIRRAYNB-UHFFFAOYSA-N 0 1 299.414 3.919 20 0 CHADMN Cc1ccc([C@H](C)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000336716409 335114981 /nfs/dbraw/zinc/11/49/81/335114981.db2.gz PGAZVQFZZCSKGI-QILLFSRXSA-N 0 1 298.430 3.902 20 0 CHADMN C[C@H](c1ncc(C(C)(C)C)o1)N(C)C[C@@H]1CCCC[C@H]1O ZINC000305816694 333000063 /nfs/dbraw/zinc/00/00/63/333000063.db2.gz OQOOFFDOWQCAGL-HZSPNIEDSA-N 0 1 294.439 3.516 20 0 CHADMN Cc1cc(-c2noc([C@H](C)NCC(C)(C)C)n2)ccc1F ZINC000513181830 333007289 /nfs/dbraw/zinc/00/72/89/333007289.db2.gz DIFTUHHBZAVDHP-NSHDSACASA-N 0 1 291.370 3.881 20 0 CHADMN Cc1cc(-c2noc([C@@H](C)NCC(C)(C)C)n2)ccc1F ZINC000513181828 333007377 /nfs/dbraw/zinc/00/73/77/333007377.db2.gz DIFTUHHBZAVDHP-LLVKDONJSA-N 0 1 291.370 3.881 20 0 CHADMN C[C@@H](O)[C@@H]1CCCCN1Cc1cccc(Cl)c1Cl ZINC000513280583 333012189 /nfs/dbraw/zinc/01/21/89/333012189.db2.gz BEHSEYUQBQENMT-MFKMUULPSA-N 0 1 288.218 3.729 20 0 CHADMN CCC[C@]1(COC)CCC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000513286197 333012386 /nfs/dbraw/zinc/01/23/86/333012386.db2.gz IZEDZZMOLGBFOS-MRXNPFEDSA-N 0 1 297.826 3.827 20 0 CHADMN CCC[C@]1(COC)CCC[N@H+]1Cc1cccc([O-])c1Cl ZINC000513286197 333012388 /nfs/dbraw/zinc/01/23/88/333012388.db2.gz IZEDZZMOLGBFOS-MRXNPFEDSA-N 0 1 297.826 3.827 20 0 CHADMN C[C@@H]1CCCCN1Cc1ncc(-c2cccc(F)c2)o1 ZINC000175063184 333013893 /nfs/dbraw/zinc/01/38/93/333013893.db2.gz IUGFMAMXTZPYPT-GFCCVEGCSA-N 0 1 274.339 3.855 20 0 CHADMN CCOCCN(C)Cc1ccc(-c2ccccc2)cc1OC ZINC000513407687 333017871 /nfs/dbraw/zinc/01/78/71/333017871.db2.gz HFRIBFQTBVWOFQ-UHFFFAOYSA-N 0 1 299.414 3.831 20 0 CHADMN CCOC[C@H]1CCCN([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000175233950 333017928 /nfs/dbraw/zinc/01/79/28/333017928.db2.gz MXFHMIHLPCZFHP-KBPBESRZSA-N 0 1 294.439 3.782 20 0 CHADMN CN(C)c1ccccc1CNCc1cc(Cl)ccc1F ZINC000513495832 333022626 /nfs/dbraw/zinc/02/26/26/333022626.db2.gz WCACNSIDURGLTF-UHFFFAOYSA-N 0 1 292.785 3.835 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@H](C(C)C)CC2)c1 ZINC000513674674 333031378 /nfs/dbraw/zinc/03/13/78/333031378.db2.gz JLSLJNQSJCEGAX-AWEZNQCLSA-N 0 1 299.418 3.770 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@@H](C(C)C)CC2)c1 ZINC000513674675 333031512 /nfs/dbraw/zinc/03/15/12/333031512.db2.gz JLSLJNQSJCEGAX-CQSZACIVSA-N 0 1 299.418 3.770 20 0 CHADMN C[C@@H]1c2ccccc2CCN1Cc1c[nH]nc1C(C)(C)C ZINC000513690736 333032612 /nfs/dbraw/zinc/03/26/12/333032612.db2.gz LOMLNLKZQZULKB-CYBMUJFWSA-N 0 1 283.419 3.827 20 0 CHADMN CC[C@@H](F)CN[C@H](C)c1ccc(Br)s1 ZINC000308526148 333033787 /nfs/dbraw/zinc/03/37/87/333033787.db2.gz QSMQHUZWMGZFAA-HTQZYQBOSA-N 0 1 280.206 3.909 20 0 CHADMN COc1cccc(Cl)c1CN(CCCO)CC(C)(C)C ZINC000513703556 333033982 /nfs/dbraw/zinc/03/39/82/333033982.db2.gz XHTSERMDMLOXCS-UHFFFAOYSA-N 0 1 299.842 3.579 20 0 CHADMN COc1ncccc1CN[C@H](c1ccccc1)C(C)(C)C ZINC000176457432 333042165 /nfs/dbraw/zinc/04/21/65/333042165.db2.gz FJZCIAPNEDFCSX-MRXNPFEDSA-N 0 1 284.403 3.967 20 0 CHADMN C[N@@H+](CCC(F)(F)F)C[C@@H]1CCCC(F)(F)C1 ZINC000513904571 333049559 /nfs/dbraw/zinc/04/95/59/333049559.db2.gz YHFOCNQBCNOQCA-SECBINFHSA-N 0 1 259.262 3.696 20 0 CHADMN CC(C)CCN1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000177202681 333055010 /nfs/dbraw/zinc/05/50/10/333055010.db2.gz HFVHLHSKRPICEI-TZMCWYRMSA-N 0 1 253.411 3.556 20 0 CHADMN C[C@H](NCCOCC(F)F)c1cc(Cl)ccc1Cl ZINC000310599128 333060117 /nfs/dbraw/zinc/06/01/17/333060117.db2.gz QWLJJNOPIVVADG-QMMMGPOBSA-N 0 1 298.160 3.926 20 0 CHADMN CCc1cccc(CC)c1NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000177747046 333062641 /nfs/dbraw/zinc/06/26/41/333062641.db2.gz ITQKWODJTAFTQM-KBPBESRZSA-N 0 1 288.435 3.623 20 0 CHADMN CCC[C@H](C)Sc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000178473570 333073444 /nfs/dbraw/zinc/07/34/44/333073444.db2.gz YRWNHYQBAGRIMB-JTQLQIEISA-N 0 1 277.393 3.761 20 0 CHADMN C[C@@H](c1ccccc1F)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178523407 333074730 /nfs/dbraw/zinc/07/47/30/333074730.db2.gz JNICXGLDUHSFCY-STQMWFEESA-N 0 1 293.382 3.550 20 0 CHADMN COc1cccc(CCNc2ccnc(C)c2Cl)c1 ZINC000312109098 333076790 /nfs/dbraw/zinc/07/67/90/333076790.db2.gz LLSNTIRCQYRTIS-UHFFFAOYSA-N 0 1 276.767 3.707 20 0 CHADMN CCCC(CCC)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000178835557 333077961 /nfs/dbraw/zinc/07/79/61/333077961.db2.gz KUSDVTBYBXSCIS-UHFFFAOYSA-N 0 1 287.407 3.704 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000516777995 333082366 /nfs/dbraw/zinc/08/23/66/333082366.db2.gz ZURZGZJLLXTNGP-ZBEGNZNMSA-N 0 1 293.432 3.767 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000516777993 333082378 /nfs/dbraw/zinc/08/23/78/333082378.db2.gz ZURZGZJLLXTNGP-BZNIZROVSA-N 0 1 293.432 3.767 20 0 CHADMN C[C@@H](CC(=O)Nc1cc(Cl)c(O)cc1F)n1cccc1 ZINC000521482191 333082942 /nfs/dbraw/zinc/08/29/42/333082942.db2.gz GQGQFGUWKOAGAJ-VIFPVBQESA-N 0 1 296.729 3.576 20 0 CHADMN CC(C)C(C)(C)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000517056131 333091070 /nfs/dbraw/zinc/09/10/70/333091070.db2.gz QHJLWNICHWTUGZ-UHFFFAOYSA-N 0 1 270.336 3.547 20 0 CHADMN CCCCC[N@@H+](Cc1noc(C)c1C(=O)[O-])[C@@H](C)CCC ZINC000517158303 333093678 /nfs/dbraw/zinc/09/36/78/333093678.db2.gz ASMITLKKNOXZNT-LBPRGKRZSA-N 0 1 296.411 3.862 20 0 CHADMN CCCN(Cc1ccc(C)cc1)Cc1cc(C)ncn1 ZINC000517272201 333096626 /nfs/dbraw/zinc/09/66/26/333096626.db2.gz JXVKTSSYUHHOSU-UHFFFAOYSA-N 0 1 269.392 3.506 20 0 CHADMN Cc1nc2scc(C3CC3)n2c1C[N@H+](C)C(C)(C)C ZINC000517569483 333102813 /nfs/dbraw/zinc/10/28/13/333102813.db2.gz MKJLPTXLDXZKAU-UHFFFAOYSA-N 0 1 277.437 3.812 20 0 CHADMN C[C@H](NCc1ccc2nc[nH]c2c1)c1c(F)cccc1F ZINC000520944651 333108114 /nfs/dbraw/zinc/10/81/14/333108114.db2.gz DTSKQFJZDBDEEA-JTQLQIEISA-N 0 1 287.313 3.692 20 0 CHADMN C[C@@H](CC(=O)OC(C)(C)C)NC1(c2ccccc2F)CC1 ZINC000183934823 333123650 /nfs/dbraw/zinc/12/36/50/333123650.db2.gz IBKOZKVGADNKIG-LBPRGKRZSA-N 0 1 293.382 3.525 20 0 CHADMN C[C@H](CCC1CC1)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000184065990 333124807 /nfs/dbraw/zinc/12/48/07/333124807.db2.gz ANQJUSFRMGSTOP-MNOVXSKESA-N 0 1 265.401 3.596 20 0 CHADMN Cc1cncc([C@@H](C)NCc2cc(F)cc(F)c2)c1 ZINC000184266711 333126265 /nfs/dbraw/zinc/12/62/65/333126265.db2.gz ZKDPSGDTEJBXQE-LLVKDONJSA-N 0 1 262.303 3.519 20 0 CHADMN C[C@@H](c1cnccn1)N(C)Cc1cccc2ccccc21 ZINC000184451956 333128845 /nfs/dbraw/zinc/12/88/45/333128845.db2.gz VUSYNLJVIFBYLC-AWEZNQCLSA-N 0 1 277.371 3.823 20 0 CHADMN OCC[C@H](NCc1ccc2ccccc2c1)c1ccco1 ZINC000184517214 333129594 /nfs/dbraw/zinc/12/95/94/333129594.db2.gz JRXDQXFCVLFPSG-KRWDZBQOSA-N 0 1 281.355 3.646 20 0 CHADMN CC(C)C[C@H](C)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000184665139 333131255 /nfs/dbraw/zinc/13/12/55/333131255.db2.gz LTEOULYECNBADK-RYUDHWBXSA-N 0 1 291.370 3.961 20 0 CHADMN CCCC[C@@H]1CCC[C@@H]1N[C@@H](C)c1nc(CC)no1 ZINC000184699297 333131495 /nfs/dbraw/zinc/13/14/95/333131495.db2.gz LSERXBALEHBVKK-XQQFMLRXSA-N 0 1 265.401 3.642 20 0 CHADMN Cc1nccnc1[C@H](C)NCc1ccc(C(C)C)cc1 ZINC000219110575 333141916 /nfs/dbraw/zinc/14/19/16/333141916.db2.gz VZNQSZIQTMLUSV-AWEZNQCLSA-N 0 1 269.392 3.759 20 0 CHADMN Cc1oc2ccccc2c1CNCc1cc(O)cc(F)c1 ZINC000185631550 333145382 /nfs/dbraw/zinc/14/53/82/333145382.db2.gz CGUBWOIOHQTFNV-UHFFFAOYSA-N 0 1 285.318 3.876 20 0 CHADMN Cn1c2ccccc2nc1C(C)(C)NCc1ccc(F)cc1 ZINC000185636017 333145731 /nfs/dbraw/zinc/14/57/31/333145731.db2.gz SZVSTWQIOGQULR-UHFFFAOYSA-N 0 1 297.377 3.737 20 0 CHADMN CC(C)c1noc(CN2CCC[C@]2(C)Cc2ccccc2)n1 ZINC000186053360 333154336 /nfs/dbraw/zinc/15/43/36/333154336.db2.gz HJVDUSNVUKJQPX-GOSISDBHSA-N 0 1 299.418 3.790 20 0 CHADMN CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000186317981 333158326 /nfs/dbraw/zinc/15/83/26/333158326.db2.gz PUMHPEGPDDEXIX-KGLIPLIRSA-N 0 1 297.512 3.893 20 0 CHADMN CC1(C)[C@@H]2CN(Cc3ncc(-c4ccc(F)cc4)o3)C[C@@H]21 ZINC000172961524 335125470 /nfs/dbraw/zinc/12/54/70/335125470.db2.gz CRYFZQMZBHNKGT-OKILXGFUSA-N 0 1 286.350 3.569 20 0 CHADMN CC(C)C[C@@H]1OCCC[C@H]1NCc1nc2ccccc2o1 ZINC000186347742 333158874 /nfs/dbraw/zinc/15/88/74/333158874.db2.gz WYIVGHAFUGLLMD-CJNGLKHVSA-N 0 1 288.391 3.511 20 0 CHADMN CC(C)C[C@H]1OCCC[C@@H]1NCc1nc2ccccc2o1 ZINC000186347764 333159033 /nfs/dbraw/zinc/15/90/33/333159033.db2.gz WYIVGHAFUGLLMD-XJKSGUPXSA-N 0 1 288.391 3.511 20 0 CHADMN CO[C@@H](CN[C@@H](C)c1csc(C(C)C)n1)C(C)(C)C ZINC000186368819 333159577 /nfs/dbraw/zinc/15/95/77/333159577.db2.gz MFMNLIGLHSHXGM-AAEUAGOBSA-N 0 1 284.469 3.978 20 0 CHADMN CC(C)c1nc([C@@H](C)NCC(C)(C)C[C@H](C)O)cs1 ZINC000186413564 333160172 /nfs/dbraw/zinc/16/01/72/333160172.db2.gz CLVZYGXMDUVERT-NWDGAFQWSA-N 0 1 284.469 3.714 20 0 CHADMN Cc1nnc([C@H](C)N[C@@H](C)CCc2ccccc2)s1 ZINC000337329547 335125633 /nfs/dbraw/zinc/12/56/33/335125633.db2.gz ZSOHXZBETLXDCG-RYUDHWBXSA-N 0 1 275.421 3.518 20 0 CHADMN CCC(CC)(CO)CN[C@H](C)c1csc(C(C)C)n1 ZINC000186431833 333160704 /nfs/dbraw/zinc/16/07/04/333160704.db2.gz YOAYENZDGNCYGT-GFCCVEGCSA-N 0 1 284.469 3.716 20 0 CHADMN CC[C@H](N[C@H](CCO)c1ccco1)c1cccs1 ZINC000186516430 333162226 /nfs/dbraw/zinc/16/22/26/333162226.db2.gz BSNHUXXWDWCZEP-NWDGAFQWSA-N 0 1 265.378 3.506 20 0 CHADMN COc1c(Br)cccc1C[N@@H+](C)[C@@H](C)C1CC1 ZINC000186900941 333165835 /nfs/dbraw/zinc/16/58/35/333165835.db2.gz AHFWPWCSFNFCMU-JTQLQIEISA-N 0 1 298.224 3.688 20 0 CHADMN COc1ccc(F)cc1CN[C@@H]1CCc2ccc(C)cc21 ZINC000187591657 333172827 /nfs/dbraw/zinc/17/28/27/333172827.db2.gz QGILXGDNFNMQFV-QGZVFWFLSA-N 0 1 285.362 3.920 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@H](C)C3)n[nH]2)c(C)c1 ZINC000188913350 333175875 /nfs/dbraw/zinc/17/58/75/333175875.db2.gz HDJBVHRPAMGKNM-ZDUSSCGKSA-N 0 1 297.402 3.566 20 0 CHADMN COc1ccc(CN[C@H]2CCc3ccccc32)c(F)c1 ZINC000222279174 333179686 /nfs/dbraw/zinc/17/96/86/333179686.db2.gz KENUUNZOQODIKY-KRWDZBQOSA-N 0 1 271.335 3.611 20 0 CHADMN O=C([O-])CCC[N@H+]1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000521762135 333187127 /nfs/dbraw/zinc/18/71/27/333187127.db2.gz YETMIIACGWMTTO-GZKZCVOOSA-N 0 1 287.403 3.809 20 0 CHADMN Cc1ccc([C@H]2C[C@@H](C)CCN2CCOCC(F)F)o1 ZINC000189484438 333193550 /nfs/dbraw/zinc/19/35/50/333193550.db2.gz DONFLDWLJHDAGL-WCQYABFASA-N 0 1 287.350 3.643 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc2ccccc2o1)c1cn[nH]c1 ZINC000222490037 333194825 /nfs/dbraw/zinc/19/48/25/333194825.db2.gz VATKGBLIKZIZKJ-MNOVXSKESA-N 0 1 255.321 3.568 20 0 CHADMN Fc1ccc(CCCCCNCc2cscn2)cc1 ZINC000189557094 333195109 /nfs/dbraw/zinc/19/51/09/333195109.db2.gz GMLUQFOXYWJQGB-UHFFFAOYSA-N 0 1 278.396 3.785 20 0 CHADMN C[C@@H](c1c(F)cccc1F)[N@H+]1CCSC[C@H](C)C1 ZINC000190477830 333207290 /nfs/dbraw/zinc/20/72/90/333207290.db2.gz GKPIKPRYOVHMDR-MNOVXSKESA-N 0 1 271.376 3.711 20 0 CHADMN C[C@@H](c1c(F)cccc1F)N1CCSC[C@H](C)C1 ZINC000190477830 333207291 /nfs/dbraw/zinc/20/72/91/333207291.db2.gz GKPIKPRYOVHMDR-MNOVXSKESA-N 0 1 271.376 3.711 20 0 CHADMN CCCC[C@H](CC)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000191570771 333221670 /nfs/dbraw/zinc/22/16/70/333221670.db2.gz HZBUKAJMZGZARR-NEPJUHHUSA-N 0 1 267.417 3.987 20 0 CHADMN C[C@H](CC1CC1)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000191578201 333221905 /nfs/dbraw/zinc/22/19/05/333221905.db2.gz YMYLSKQJRVKAQS-VXGBXAGGSA-N 0 1 277.412 3.957 20 0 CHADMN C[C@@H](NCC(C)(C)C)c1nc(C2CCCCC2)no1 ZINC000191580495 333221918 /nfs/dbraw/zinc/22/19/18/333221918.db2.gz LHVLSUOUBIRXST-LLVKDONJSA-N 0 1 265.401 3.814 20 0 CHADMN CCC[C@@H](C)CN[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000191601776 333222369 /nfs/dbraw/zinc/22/23/69/333222369.db2.gz FXMAPVRYFVMNBX-ZIAGYGMSSA-N 0 1 287.407 3.747 20 0 CHADMN CCCC1CCC(N(C)C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000192272532 333233941 /nfs/dbraw/zinc/23/39/41/333233941.db2.gz ZUXJAIQRGHXFLL-UHFFFAOYSA-N 0 1 289.423 3.718 20 0 CHADMN COCc1cc(CNCc2sccc2Cl)ccc1F ZINC000193094809 333242526 /nfs/dbraw/zinc/24/25/26/333242526.db2.gz AFQZIJOWVKAKIQ-UHFFFAOYSA-N 0 1 299.798 3.977 20 0 CHADMN Cc1cc([C@H](C)NCc2cnn(C(C)C)c2)c(C)s1 ZINC000226239940 333254868 /nfs/dbraw/zinc/25/48/68/333254868.db2.gz HQUQMSWYPKRMNC-LBPRGKRZSA-N 0 1 277.437 3.993 20 0 CHADMN CN(Cc1ccc2c(c1)CCC2)Cc1ccccc1F ZINC000522448358 333287292 /nfs/dbraw/zinc/28/72/92/333287292.db2.gz ZNYZRHSOEOSFGD-UHFFFAOYSA-N 0 1 269.363 3.946 20 0 CHADMN CCCC(C)(C)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000522851326 333296852 /nfs/dbraw/zinc/29/68/52/333296852.db2.gz XFEDLFKFAPQEEN-UHFFFAOYSA-N 0 1 297.402 3.556 20 0 CHADMN COc1ccc(CNCc2cccc(Cl)c2)c(F)c1 ZINC000229742550 333309040 /nfs/dbraw/zinc/30/90/40/333309040.db2.gz GJMUUPVMLYQDCE-UHFFFAOYSA-N 0 1 279.742 3.778 20 0 CHADMN COC[C@@H](NCc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000229810681 333309809 /nfs/dbraw/zinc/30/98/09/333309809.db2.gz UMLHOPLWAYMODJ-MRXNPFEDSA-N 0 1 293.769 3.956 20 0 CHADMN CCN(CC)CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000001998329 333322700 /nfs/dbraw/zinc/32/27/00/333322700.db2.gz VWHPWLHPHXYIDL-UHFFFAOYSA-N 0 1 298.386 3.759 20 0 CHADMN Fc1cncc(CNCc2ccccc2C(F)(F)F)c1 ZINC000230939837 333322905 /nfs/dbraw/zinc/32/29/05/333322905.db2.gz MISSTDIRQWYDTC-UHFFFAOYSA-N 0 1 284.256 3.529 20 0 CHADMN Cc1ccccc1[C@@H]1CCN([C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000523441315 333327052 /nfs/dbraw/zinc/32/70/52/333327052.db2.gz LKMSJESOUBPWHI-LSDHHAIUSA-N 0 1 289.419 3.515 20 0 CHADMN CCN(Cc1ccccc1Br)C1CCC1 ZINC000523442213 333327209 /nfs/dbraw/zinc/32/72/09/333327209.db2.gz RBJOSRCZMNCMJW-UHFFFAOYSA-N 0 1 268.198 3.824 20 0 CHADMN CCCCc1nc(CN2CCC[C@H]2CC)cs1 ZINC000523607528 333334120 /nfs/dbraw/zinc/33/41/20/333334120.db2.gz GKSINOIKWUOOJF-CYBMUJFWSA-N 0 1 252.427 3.860 20 0 CHADMN Cc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)c(F)c1 ZINC000303321283 333340117 /nfs/dbraw/zinc/34/01/17/333340117.db2.gz VBSRYMIREMVQFR-UHFFFAOYSA-N 0 1 293.363 3.552 20 0 CHADMN C[C@H](CCC1CCCCC1)Nc1ncnc2[nH]cnc21 ZINC000523753870 333343926 /nfs/dbraw/zinc/34/39/26/333343926.db2.gz ZXMIPMQRAGPXLU-LLVKDONJSA-N 0 1 273.384 3.514 20 0 CHADMN CC[C@@H]1COCCN1CCCOc1cccc2ccccc21 ZINC000523760329 333344288 /nfs/dbraw/zinc/34/42/88/333344288.db2.gz QAFTVHUMIPDLMK-QGZVFWFLSA-N 0 1 299.414 3.720 20 0 CHADMN CCOC[C@@H](NCc1nc(C(C)(C)C)cs1)C(C)C ZINC000233737113 333354762 /nfs/dbraw/zinc/35/47/62/333354762.db2.gz AVNNUNTZADFOIR-GFCCVEGCSA-N 0 1 284.469 3.591 20 0 CHADMN CC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000233924463 333356344 /nfs/dbraw/zinc/35/63/44/333356344.db2.gz HXFFCUIPQGLXCG-GFCCVEGCSA-N 0 1 279.355 3.536 20 0 CHADMN CC[C@@H](c1ccc(F)cc1F)N1CCN(C2CCC2)CC1 ZINC000524594439 333367979 /nfs/dbraw/zinc/36/79/79/333367979.db2.gz MHNOJGVECPIHOI-KRWDZBQOSA-N 0 1 294.389 3.586 20 0 CHADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C)[C@H]3C)n[nH]2)cc1 ZINC000524654187 333370310 /nfs/dbraw/zinc/37/03/10/333370310.db2.gz SMRWESJFLMCQND-ZIAGYGMSSA-N 0 1 297.402 3.646 20 0 CHADMN CC(C)(C)[C@H]1CCCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000315815558 333384011 /nfs/dbraw/zinc/38/40/11/333384011.db2.gz DZTDWKHXJCNPQM-ZDUSSCGKSA-N 0 1 299.418 3.851 20 0 CHADMN CC(C)[C@@H](NC(=O)c1n[nH]c2ccccc21)c1ccccc1 ZINC000315901802 333384468 /nfs/dbraw/zinc/38/44/68/333384468.db2.gz CRQLWIAQWCIZNV-MRXNPFEDSA-N 0 1 293.370 3.690 20 0 CHADMN O=C(CCC1CCCCC1)Nc1ccc2nc[nH]c2c1 ZINC000240737870 333385167 /nfs/dbraw/zinc/38/51/67/333385167.db2.gz APKPWIAHMTULRJ-UHFFFAOYSA-N 0 1 271.364 3.862 20 0 CHADMN Cc1ccc(-c2noc(CN3C[C@H](C)CC[C@H]3C)n2)cc1 ZINC000524753269 333386398 /nfs/dbraw/zinc/38/63/98/333386398.db2.gz DQXLBBMSOQWNEB-ZIAGYGMSSA-N 0 1 285.391 3.665 20 0 CHADMN C[C@H]1C[C@H](C)N(CC(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000524908257 333393289 /nfs/dbraw/zinc/39/32/89/333393289.db2.gz PRCMJPXUFVLLAE-KBPBESRZSA-N 0 1 288.435 3.653 20 0 CHADMN CC1(C)CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000525091050 333398329 /nfs/dbraw/zinc/39/83/29/333398329.db2.gz JVNQHGSLMFFUNS-UHFFFAOYSA-N 0 1 297.402 3.729 20 0 CHADMN c1ccc2c(c1)CN(CCOC1CCCCCC1)C2 ZINC000525423005 333412585 /nfs/dbraw/zinc/41/25/85/333412585.db2.gz QHPZJOIFLQCCLU-UHFFFAOYSA-N 0 1 259.393 3.742 20 0 CHADMN Cc1nc2cc(N[C@H](C)C3CCSCC3)ccc2n1C ZINC000525990841 333417473 /nfs/dbraw/zinc/41/74/73/333417473.db2.gz XKSVSZLWZGWOBD-LLVKDONJSA-N 0 1 289.448 3.825 20 0 CHADMN C/C(Cl)=C\CN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000528437466 333437631 /nfs/dbraw/zinc/43/76/31/333437631.db2.gz NQYHZQDLRZZPQD-RPHSKFLZSA-N 0 1 292.810 3.607 20 0 CHADMN C/C(Cl)=C\CN[C@H](C)c1ccc(Br)cn1 ZINC000528491499 333441539 /nfs/dbraw/zinc/44/15/39/333441539.db2.gz XEIPJPREORDKQR-WHXYTISESA-N 0 1 289.604 3.637 20 0 CHADMN C/C(Cl)=C\CN1CCC(CC(F)(F)F)CC1 ZINC000528498745 333442044 /nfs/dbraw/zinc/44/20/44/333442044.db2.gz YKJRSNFGCXDEIT-XNWCZRBMSA-N 0 1 255.711 3.793 20 0 CHADMN C[C@H](NCCc1c(F)cccc1Cl)c1ncccc1F ZINC000528832032 333460912 /nfs/dbraw/zinc/46/09/12/333460912.db2.gz UBFVBEJZVSVWOA-JTQLQIEISA-N 0 1 296.748 3.907 20 0 CHADMN Cc1c([C@@H](C)NCc2cc(C)cc(Cl)c2)cnn1C ZINC000339182171 335142159 /nfs/dbraw/zinc/14/21/59/335142159.db2.gz RQYSIPHIAQBPTN-LLVKDONJSA-N 0 1 277.799 3.541 20 0 CHADMN Clc1cc2c(s1)CCN(CCCc1ccncc1)C2 ZINC000576035601 335143850 /nfs/dbraw/zinc/14/38/50/335143850.db2.gz QRXLCYZBHUCWQW-UHFFFAOYSA-N 0 1 292.835 3.787 20 0 CHADMN CC1(CC(F)F)CN(Cc2ccc3cc[nH]c3c2)C1 ZINC000529611950 333501330 /nfs/dbraw/zinc/50/13/30/333501330.db2.gz SCGDZPCQIFACMC-UHFFFAOYSA-N 0 1 264.319 3.645 20 0 CHADMN CC(C)Oc1ccccc1CN1CC(Cc2ccco2)C1 ZINC000529650012 333503841 /nfs/dbraw/zinc/50/38/41/333503841.db2.gz FNZNLVVRPGVHOZ-UHFFFAOYSA-N 0 1 285.387 3.741 20 0 CHADMN Cc1nc2ccc(CN3CC(Cc4ccco4)C3)cc2s1 ZINC000529650047 333503857 /nfs/dbraw/zinc/50/38/57/333503857.db2.gz VYLFURLIRHEHOB-UHFFFAOYSA-N 0 1 298.411 3.872 20 0 CHADMN Cc1ccc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2C)s1 ZINC000576046170 335145495 /nfs/dbraw/zinc/14/54/95/335145495.db2.gz BQSPXWDCIZHDNP-OAHLLOKOSA-N 0 1 289.400 3.623 20 0 CHADMN Fc1cccc(F)c1CNCCSc1ccccc1 ZINC000037854674 333541191 /nfs/dbraw/zinc/54/11/91/333541191.db2.gz GFXOPDMPPNUUNE-UHFFFAOYSA-N 0 1 279.355 3.847 20 0 CHADMN CC[C@H](C(=O)Nc1cccc(-c2ccccc2)c1)N(C)C ZINC000576061571 335147680 /nfs/dbraw/zinc/14/76/80/335147680.db2.gz BBVJPTXFXRCTEA-QGZVFWFLSA-N 0 1 282.387 3.632 20 0 CHADMN CCC1CCN(Cc2ncccc2C(F)(F)F)CC1 ZINC000125317813 333565656 /nfs/dbraw/zinc/56/56/56/333565656.db2.gz DHGKVNUWJSNOOO-UHFFFAOYSA-N 0 1 272.314 3.722 20 0 CHADMN c1c[nH]c([C@H](NCCCc2ccccc2)c2ccccc2)n1 ZINC000125498740 333567288 /nfs/dbraw/zinc/56/72/88/333567288.db2.gz RJYDBENSLAUIIP-GOSISDBHSA-N 0 1 291.398 3.722 20 0 CHADMN OC[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000339753773 335148349 /nfs/dbraw/zinc/14/83/49/335148349.db2.gz VHGNNLVKENWKRG-LLVKDONJSA-N 0 1 288.218 3.588 20 0 CHADMN C[C@H](N[C@@H](C)C1CCCCC1)c1nc(C2CC2)no1 ZINC000174139955 335148805 /nfs/dbraw/zinc/14/88/05/335148805.db2.gz BFKCBMLKTDLMJD-QWRGUYRKSA-N 0 1 263.385 3.566 20 0 CHADMN COc1ccc(CN[C@H](c2ccc(C)o2)C2CCC2)cn1 ZINC000576075081 335149823 /nfs/dbraw/zinc/14/98/23/335149823.db2.gz BLOJNCJHRAYRAK-KRWDZBQOSA-N 0 1 286.375 3.623 20 0 CHADMN CC[C@H](C)CNc1ccccc1CN1CCSCC1 ZINC000538967248 333647167 /nfs/dbraw/zinc/64/71/67/333647167.db2.gz FIYAAHQZYJOWNF-AWEZNQCLSA-N 0 1 278.465 3.693 20 0 CHADMN CCOC(=O)c1ccc(CNC(C)(C)c2cccs2)o1 ZINC000539511472 333675677 /nfs/dbraw/zinc/67/56/77/333675677.db2.gz XPWHZFFMZRRHEG-UHFFFAOYSA-N 0 1 293.388 3.543 20 0 CHADMN COCC1(N[C@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000539651749 333683328 /nfs/dbraw/zinc/68/33/28/333683328.db2.gz SYCKMSTUIYBRPN-SECBINFHSA-N 0 1 274.191 3.823 20 0 CHADMN COC[C@H](NC/C=C/c1ccc(F)cc1)c1ccc(C)o1 ZINC000128580774 333689381 /nfs/dbraw/zinc/68/93/81/333689381.db2.gz UWWMBEYRRQCEJW-CWDCEQMOSA-N 0 1 289.350 3.718 20 0 CHADMN Cc1cnc([C@@H](C)N2CCC(Cc3ccccc3)CC2)o1 ZINC000540011428 333705961 /nfs/dbraw/zinc/70/59/61/333705961.db2.gz SWDVUCIHCUXWHS-OAHLLOKOSA-N 0 1 284.403 3.999 20 0 CHADMN Cc1ccc(CN[C@@H]2CCSc3ccc(F)cc32)cn1 ZINC000129099142 333746199 /nfs/dbraw/zinc/74/61/99/333746199.db2.gz QSIPSGGXNIUZTL-OAHLLOKOSA-N 0 1 288.391 3.856 20 0 CHADMN C[C@H]1CCC[C@H](CCNC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000070549581 333816589 /nfs/dbraw/zinc/81/65/89/333816589.db2.gz VRURECLHEGDDOL-NWDGAFQWSA-N 0 1 295.810 3.992 20 0 CHADMN COC[C@@H](N[C@@H](C)c1ncc(-c2ccccc2)o1)C(C)C ZINC000542527102 333830872 /nfs/dbraw/zinc/83/08/72/333830872.db2.gz ZHIFRQWVNMKPRJ-DZGCQCFKSA-N 0 1 288.391 3.663 20 0 CHADMN Cc1ncsc1C[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000576151644 335161229 /nfs/dbraw/zinc/16/12/29/335161229.db2.gz GHMDLVKAEMOBGW-MRXNPFEDSA-N 0 1 290.407 3.754 20 0 CHADMN Cc1ccc(CN[C@@H](C)c2cccc(-n3ccnc3)c2)o1 ZINC000174651589 335162157 /nfs/dbraw/zinc/16/21/57/335162157.db2.gz VMWWPAPHXCNODO-AWEZNQCLSA-N 0 1 281.359 3.625 20 0 CHADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(F)cc1)CO2 ZINC000130817129 333877671 /nfs/dbraw/zinc/87/76/71/333877671.db2.gz LPANUDZLNWWJNA-WBMJQRKESA-N 0 1 271.335 3.918 20 0 CHADMN CC[C@H](N[C@H](c1ccc(OC)cc1)C1CC1)c1ccn(C)n1 ZINC000543591421 333882633 /nfs/dbraw/zinc/88/26/33/333882633.db2.gz IELXHAXVIIIGJG-WMZOPIPTSA-N 0 1 299.418 3.621 20 0 CHADMN CC[C@H](N[C@@H](c1ccccc1)C(C)C)c1ccn(C)n1 ZINC000543607311 333884331 /nfs/dbraw/zinc/88/43/31/333884331.db2.gz YLTMIQGVQNTWHX-DOTOQJQBSA-N 0 1 271.408 3.858 20 0 CHADMN COc1cc(C)nc(CN[C@]2(C)CCCc3ccccc32)c1 ZINC000543748318 333894766 /nfs/dbraw/zinc/89/47/66/333894766.db2.gz SQRRNYNEWJMSQV-LJQANCHMSA-N 0 1 296.414 3.740 20 0 CHADMN CC[C@@H](NC1(c2ccccc2)CCC1)c1ccn(C)n1 ZINC000544614552 333940686 /nfs/dbraw/zinc/94/06/86/333940686.db2.gz HNGQKCUYWJEQMS-OAHLLOKOSA-N 0 1 269.392 3.540 20 0 CHADMN CCCC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000174913909 335169484 /nfs/dbraw/zinc/16/94/84/335169484.db2.gz AJCAZONTTJJWOS-UHFFFAOYSA-N 0 1 292.560 3.547 20 0 CHADMN Cc1nnc(CN[C@@H]2C[C@@H](c3ccccc3)C2(C)C)s1 ZINC000545920230 334006102 /nfs/dbraw/zinc/00/61/02/334006102.db2.gz GBQFBZSWIOICHU-UONOGXRCSA-N 0 1 287.432 3.518 20 0 CHADMN C[C@@H]1CCN(Cc2csc(-c3ccccn3)n2)[C@H](C)C1 ZINC000133075265 334015397 /nfs/dbraw/zinc/01/53/97/334015397.db2.gz PBBXIRNZGONLKV-CHWSQXEVSA-N 0 1 287.432 3.826 20 0 CHADMN Cc1ccc2nc(CN3CC[C@@H](C)C(C)(C)C3)cn2c1 ZINC000546124695 334016085 /nfs/dbraw/zinc/01/60/85/334016085.db2.gz UACOLRYTODLDAQ-CQSZACIVSA-N 0 1 271.408 3.511 20 0 CHADMN CC[C@@H](CC(F)(F)F)N[C@H](C)c1nc2ccccc2n1C ZINC000546167260 334018003 /nfs/dbraw/zinc/01/80/03/334018003.db2.gz YBFPJUPXAVXOTC-MNOVXSKESA-N 0 1 299.340 3.955 20 0 CHADMN CC[C@@H](CC(F)(F)F)NCc1ccc(F)cc1F ZINC000546178414 334018443 /nfs/dbraw/zinc/01/84/43/334018443.db2.gz BOQQDNGCXDLKAZ-JTQLQIEISA-N 0 1 267.241 3.785 20 0 CHADMN CCc1ccc([C@H]2CN(CC3(SC)CC3)CCO2)cc1 ZINC000564302293 334030322 /nfs/dbraw/zinc/03/03/22/334030322.db2.gz UTPKYTGZNQKAEB-MRXNPFEDSA-N 0 1 291.460 3.518 20 0 CHADMN CCC[C@H](C)Cc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000546437768 334032492 /nfs/dbraw/zinc/03/24/92/334032492.db2.gz DSAJXRHGWSSDCI-JTQLQIEISA-N 0 1 284.363 3.900 20 0 CHADMN Cc1cc(-c2noc([C@H]3CC34CCCC4)n2)cc2nc[nH]c21 ZINC000546439132 334032750 /nfs/dbraw/zinc/03/27/50/334032750.db2.gz JGMVQKOEYKTKEC-GFCCVEGCSA-N 0 1 294.358 3.969 20 0 CHADMN Cc1cccc(Cc2nc(-c3ccc4[nH]cnc4c3)no2)c1 ZINC000546451904 334033111 /nfs/dbraw/zinc/03/31/11/334033111.db2.gz MEFLDRQUXGEQRX-UHFFFAOYSA-N 0 1 290.326 3.512 20 0 CHADMN CC/C=C/CCN1CCO[C@@](C)(c2ccccc2)C1 ZINC000546636478 334042636 /nfs/dbraw/zinc/04/26/36/334042636.db2.gz PHRSIFYEETXPGG-LAQIPUCWSA-N 0 1 259.393 3.590 20 0 CHADMN COCCCCCN1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000075784189 334051139 /nfs/dbraw/zinc/05/11/39/334051139.db2.gz GLXQJRUWKUZIQI-SJLPKXTDSA-N 0 1 291.435 3.574 20 0 CHADMN C[C@H]1CC[C@@H](Cc2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000547144384 334068996 /nfs/dbraw/zinc/06/89/96/334068996.db2.gz JLKHSEOLYAEODJ-WDEREUQCSA-N 0 1 282.347 3.592 20 0 CHADMN CCS[C@@H]1CC[C@@H](N(C)Cc2ccncc2Cl)C1 ZINC000076070541 334069961 /nfs/dbraw/zinc/06/99/61/334069961.db2.gz LLJRORQZMAJGGX-CHWSQXEVSA-N 0 1 284.856 3.841 20 0 CHADMN C[C@H]1CCCN1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000076116685 334073158 /nfs/dbraw/zinc/07/31/58/334073158.db2.gz MJXSVOJJHVLKED-NSHDSACASA-N 0 1 276.767 3.979 20 0 CHADMN C[C@@H]1CCCN1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000076117901 334073643 /nfs/dbraw/zinc/07/36/43/334073643.db2.gz HUCQKJJBSRGZFC-LLVKDONJSA-N 0 1 276.767 3.979 20 0 CHADMN C[C@@H](NC1(C2CC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000547352849 334082448 /nfs/dbraw/zinc/08/24/48/334082448.db2.gz DFSNOVVCGLXKRL-SSDOTTSWSA-N 0 1 276.327 3.755 20 0 CHADMN CC(C)c1nnc(CN2C[C@@H](c3ccccc3)C(C)(C)C2)o1 ZINC000134265606 334086075 /nfs/dbraw/zinc/08/60/75/334086075.db2.gz SZMIFYODRCNRTO-HNNXBMFYSA-N 0 1 299.418 3.819 20 0 CHADMN CCc1nnc([C@H](C)N2C[C@H](c3ccccc3)C(C)(C)C2)o1 ZINC000134274285 334086363 /nfs/dbraw/zinc/08/63/63/334086363.db2.gz XQNWYPVLDYQDOC-DZGCQCFKSA-N 0 1 299.418 3.819 20 0 CHADMN Cc1ccc(C(=O)CCN(Cc2ccccn2)C(C)C)cc1 ZINC000547505973 334095613 /nfs/dbraw/zinc/09/56/13/334095613.db2.gz HXDBFSDNWDJISM-UHFFFAOYSA-N 0 1 296.414 3.873 20 0 CHADMN Cc1cc(F)ccc1CN[C@H](C)c1cnn(C(C)C)c1 ZINC000547507428 334095856 /nfs/dbraw/zinc/09/58/56/334095856.db2.gz JFFBPTDABMEFSH-CYBMUJFWSA-N 0 1 275.371 3.762 20 0 CHADMN Fc1ccc(CN(CCc2ccccn2)C2CC2)c(F)c1 ZINC000077184657 334097821 /nfs/dbraw/zinc/09/78/21/334097821.db2.gz OEEISNDTRLLZBN-UHFFFAOYSA-N 0 1 288.341 3.567 20 0 CHADMN OC[C@H]1C=C[C@@H](N[C@@H]2CCc3cc(Cl)cc(Cl)c32)C1 ZINC000134628794 334098139 /nfs/dbraw/zinc/09/81/39/334098139.db2.gz QTUMBOAURAJBFK-MRCXROJRSA-N 0 1 298.213 3.507 20 0 CHADMN Cc1ccc([C@H]2[C@@H](C)CCCN2Cc2ccon2)cc1 ZINC000077318469 334102360 /nfs/dbraw/zinc/10/23/60/334102360.db2.gz RVBFAYZRFXFUHC-WMLDXEAASA-N 0 1 270.376 3.956 20 0 CHADMN COc1ncc(CN2CCCCC[C@@H]2C)cc1Cl ZINC000547623811 334103368 /nfs/dbraw/zinc/10/33/68/334103368.db2.gz NKTIVPDTDLUKNT-NSHDSACASA-N 0 1 268.788 3.508 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000564326753 334105314 /nfs/dbraw/zinc/10/53/14/334105314.db2.gz URRSGJVZWBPFGV-MRXNPFEDSA-N 0 1 296.374 3.648 20 0 CHADMN CCOc1ccc(C(C)=O)cc1C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000134969420 334110015 /nfs/dbraw/zinc/11/00/15/334110015.db2.gz BYLPGTURBCCXJS-OLZOCXBDSA-N 0 1 275.392 3.518 20 0 CHADMN CCOc1ccc(C(C)=O)cc1CN1C[C@H](C)C[C@@H]1C ZINC000134969420 334110016 /nfs/dbraw/zinc/11/00/16/334110016.db2.gz BYLPGTURBCCXJS-OLZOCXBDSA-N 0 1 275.392 3.518 20 0 CHADMN CC[C@H](CC1CCCCC1)c1nc(C2(N)CCC2)no1 ZINC000564329039 334111914 /nfs/dbraw/zinc/11/19/14/334111914.db2.gz XGRXYPMLGCJATP-CYBMUJFWSA-N 0 1 277.412 3.872 20 0 CHADMN CCOc1ccc([C@H](C)NCc2occc2C)cc1 ZINC000135137314 334117329 /nfs/dbraw/zinc/11/73/29/334117329.db2.gz NZSFOAOXCIIJEF-ZDUSSCGKSA-N 0 1 259.349 3.838 20 0 CHADMN CN(Cc1cnc(C2CCCCC2)s1)C[C@@H]1CCCO1 ZINC000547853845 334127490 /nfs/dbraw/zinc/12/74/90/334127490.db2.gz NJEQTUBBAZRCMO-AWEZNQCLSA-N 0 1 294.464 3.802 20 0 CHADMN C[C@@H](NCc1ccc(CO)o1)c1cccc2ccccc21 ZINC000078834184 334141275 /nfs/dbraw/zinc/14/12/75/334141275.db2.gz JCFSAKMVZIWHCP-CYBMUJFWSA-N 0 1 281.355 3.776 20 0 CHADMN Cc1ccc(CN(Cc2ccccn2)C(C)C)c(C)n1 ZINC000548157117 334143583 /nfs/dbraw/zinc/14/35/83/334143583.db2.gz ZBXCRICRFAZXBE-UHFFFAOYSA-N 0 1 269.392 3.504 20 0 CHADMN COC[C@H](NCc1ccc(F)cc1C)c1ccc(F)cc1 ZINC000548161164 334143958 /nfs/dbraw/zinc/14/39/58/334143958.db2.gz WJSUNVFPHZPSHX-KRWDZBQOSA-N 0 1 291.341 3.751 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cc(C)ccc1C ZINC000136018146 334144026 /nfs/dbraw/zinc/14/40/26/334144026.db2.gz QOUMPYIYQKHCFG-UHFFFAOYSA-N 0 1 271.364 3.711 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC000548176201 334145114 /nfs/dbraw/zinc/14/51/14/334145114.db2.gz QKMURMXONVPMRV-PWSUYJOCSA-N 0 1 297.324 3.726 20 0 CHADMN C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc2nc[nH]c2c1 ZINC000548176201 334145115 /nfs/dbraw/zinc/14/51/15/334145115.db2.gz QKMURMXONVPMRV-PWSUYJOCSA-N 0 1 297.324 3.726 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cc(F)ccc1C ZINC000136059748 334145670 /nfs/dbraw/zinc/14/56/70/334145670.db2.gz KVUULXUQLJVJKK-UHFFFAOYSA-N 0 1 275.327 3.541 20 0 CHADMN CCCc1noc(CN[C@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000548210790 334146569 /nfs/dbraw/zinc/14/65/69/334146569.db2.gz HVCBQWXQAVYXEK-CVEARBPZSA-N 0 1 299.418 3.838 20 0 CHADMN Cc1oc(-c2ccccc2)nc1CN1[C@H](C)C[C@H]1C ZINC000548426026 334155592 /nfs/dbraw/zinc/15/55/92/334155592.db2.gz FWCLJYJDMBOEOH-VXGBXAGGSA-N 0 1 256.349 3.633 20 0 CHADMN C[C@@H]1C[C@H](C)N1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000548424995 334155645 /nfs/dbraw/zinc/15/56/45/334155645.db2.gz IEVSHRASCPSVFF-TXEJJXNPSA-N 0 1 295.810 3.527 20 0 CHADMN CCc1ccc([C@@H](CO)NCc2ccc(F)cc2C)cc1 ZINC000548486199 334159839 /nfs/dbraw/zinc/15/98/39/334159839.db2.gz DLESHBQATGVZGR-GOSISDBHSA-N 0 1 287.378 3.520 20 0 CHADMN c1ccc([C@H]2CCCC[C@H]2NCc2nc(C3CC3)no2)cc1 ZINC000548539258 334162540 /nfs/dbraw/zinc/16/25/40/334162540.db2.gz RNQVNGULSBUHAC-HZPDHXFCSA-N 0 1 297.402 3.763 20 0 CHADMN CCc1cnc(CN2CCC(CC)(CC)CC2)o1 ZINC000548603604 334163477 /nfs/dbraw/zinc/16/34/77/334163477.db2.gz XWAHXVBIDNWOEF-UHFFFAOYSA-N 0 1 250.386 3.639 20 0 CHADMN CC1(C)CCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000080032441 334165243 /nfs/dbraw/zinc/16/52/43/334165243.db2.gz XDYQEPCQMURIRD-UHFFFAOYSA-N 0 1 288.174 3.571 20 0 CHADMN C[C@@H]1CC[C@@H](C)N(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000136987816 334166673 /nfs/dbraw/zinc/16/66/73/334166673.db2.gz UHZQCXKQWPBSFN-CHWSQXEVSA-N 0 1 289.423 3.718 20 0 CHADMN C[C@@H](N(C)Cc1nc(-c2ccccc2F)no1)C(C)(C)C ZINC000548722101 334167324 /nfs/dbraw/zinc/16/73/24/334167324.db2.gz HSCXYFANRYLUMM-LLVKDONJSA-N 0 1 291.370 3.742 20 0 CHADMN CO[C@@H](C[N@@H+](C)CCCOC(C)C)c1ccc(Cl)cc1 ZINC000548918762 334180301 /nfs/dbraw/zinc/18/03/01/334180301.db2.gz YIWWTZVYHPFFEL-INIZCTEOSA-N 0 1 299.842 3.774 20 0 CHADMN Fc1cccc2c1CN(C[C@@H]1CCC3(CCCC3)O1)CC2 ZINC000548917454 334180316 /nfs/dbraw/zinc/18/03/16/334180316.db2.gz VSUDAHHXYVWMFJ-HNNXBMFYSA-N 0 1 289.394 3.676 20 0 CHADMN CCOc1ccc2nc(S[C@H]3CCC[C@@H]3OC)[nH]c2c1 ZINC000549013340 334182607 /nfs/dbraw/zinc/18/26/07/334182607.db2.gz UOYUJUJQPYTNAB-KBPBESRZSA-N 0 1 292.404 3.621 20 0 CHADMN C[C@H](c1ccccc1Cl)N1CCCO[C@@H](C)C1 ZINC000245404901 334190158 /nfs/dbraw/zinc/19/01/58/334190158.db2.gz QZYNTPUHHIHTDV-NWDGAFQWSA-N 0 1 253.773 3.512 20 0 CHADMN CC(C)OC1CCN(Cc2sccc2Cl)CC1 ZINC000549350017 334191208 /nfs/dbraw/zinc/19/12/08/334191208.db2.gz IXNSJTPLRUCNPG-UHFFFAOYSA-N 0 1 273.829 3.791 20 0 CHADMN Cc1ccc2nc(CNC(C)(C)c3ccccc3C)cn2c1 ZINC000550263017 334217956 /nfs/dbraw/zinc/21/79/56/334217956.db2.gz SBWATZGGKFURBC-UHFFFAOYSA-N 0 1 293.414 3.976 20 0 CHADMN CCc1cc(OC)ccc1CNc1cc2c(cn1)CCC2 ZINC000550310572 334219889 /nfs/dbraw/zinc/21/98/89/334219889.db2.gz SUHCTETVMFLZRP-UHFFFAOYSA-N 0 1 282.387 3.753 20 0 CHADMN CC(C)CN1Cc2cccc(NC(=O)[C@H]3C[C@H]3C3CC3)c2C1 ZINC000245790459 334219945 /nfs/dbraw/zinc/21/99/45/334219945.db2.gz NQJHFSUJDDSIJB-HOTGVXAUSA-N 0 1 298.430 3.643 20 0 CHADMN COc1cc2c(cc1Cl)CN(CCC1CC1)CC2 ZINC000550471805 334223255 /nfs/dbraw/zinc/22/32/55/334223255.db2.gz XTHWWFMEWNYMSD-UHFFFAOYSA-N 0 1 265.784 3.507 20 0 CHADMN COc1cccc(Cl)c1CN1CCCO[C@H](C(C)C)C1 ZINC000550561416 334224375 /nfs/dbraw/zinc/22/43/75/334224375.db2.gz FBWUWLFZJWEQBA-INIZCTEOSA-N 0 1 297.826 3.596 20 0 CHADMN CC[C@@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)C(F)(F)F ZINC000245980786 334226580 /nfs/dbraw/zinc/22/65/80/334226580.db2.gz GSNILNSASKUKDA-NWDGAFQWSA-N 0 1 295.732 3.646 20 0 CHADMN CCC[C@@H](C)C(=O)NCCN[C@H](C)c1ccccc1Cl ZINC000550832944 334229825 /nfs/dbraw/zinc/22/98/25/334229825.db2.gz QYQXXHNRKQRXKL-CHWSQXEVSA-N 0 1 296.842 3.543 20 0 CHADMN CCCC[C@H]1CCC[C@@H]1NCc1ncn(-c2ccccc2)n1 ZINC000550929330 334233643 /nfs/dbraw/zinc/23/36/43/334233643.db2.gz ZXBAJVOMEUYETN-RDJZCZTQSA-N 0 1 298.434 3.716 20 0 CHADMN C[C@@H](NCc1ncn(-c2ccccc2)n1)C1CCCCCC1 ZINC000550930020 334233990 /nfs/dbraw/zinc/23/39/90/334233990.db2.gz BIKLUWRGTYIANQ-OAHLLOKOSA-N 0 1 298.434 3.716 20 0 CHADMN C[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)[C@H](c2ccccc2)CO1 ZINC000551063531 334237738 /nfs/dbraw/zinc/23/77/38/334237738.db2.gz SVCSCAUCWGZMCH-FMKPAKJESA-N 0 1 295.373 3.884 20 0 CHADMN C[C@H](CCc1ccsc1)NCc1noc2c1CCCC2 ZINC000564375482 334237924 /nfs/dbraw/zinc/23/79/24/334237924.db2.gz AWFCSSLYXNYHOO-GFCCVEGCSA-N 0 1 290.432 3.726 20 0 CHADMN C[C@@H]1CO[C@@H](c2ccccc2)CN1C[C@@H]1CCC(F)(F)C1 ZINC000551094551 334238522 /nfs/dbraw/zinc/23/85/22/334238522.db2.gz AJJZHQVORVKEFU-IIAWOOMASA-N 0 1 295.373 3.884 20 0 CHADMN Cc1nc(CN2CCS[C@H]3CCCC[C@H]32)sc1C ZINC000246232942 334244075 /nfs/dbraw/zinc/24/40/75/334244075.db2.gz MXEHKTYCELXUTB-OLZOCXBDSA-N 0 1 282.478 3.620 20 0 CHADMN FC(F)c1ccc(CN[C@@H]2COCc3ccccc32)cc1 ZINC000551279669 334244933 /nfs/dbraw/zinc/24/49/33/334244933.db2.gz HPVBXDKSKWUMSR-MRXNPFEDSA-N 0 1 289.325 3.985 20 0 CHADMN Cc1ccc2c(c1)[C@H](NCc1cn3cc(C)ccc3n1)CC2 ZINC000551535919 334253646 /nfs/dbraw/zinc/25/36/46/334253646.db2.gz CEOJMHQENOZOAK-GOSISDBHSA-N 0 1 291.398 3.728 20 0 CHADMN CC(C)(C)c1n[nH]cc1C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000551826374 334263665 /nfs/dbraw/zinc/26/36/65/334263665.db2.gz KNOTXLRJRQCDSL-UHFFFAOYSA-N 0 1 295.430 3.997 20 0 CHADMN CCO[C@@H]1C[C@@H](N[C@H](C)c2nccs2)C12CCCCC2 ZINC000246790702 334269616 /nfs/dbraw/zinc/26/96/16/334269616.db2.gz HTAMXLBOXYJZQP-MGPQQGTHSA-N 0 1 294.464 3.922 20 0 CHADMN c1coc(-c2cc(CN3CCC[C@@H]4CCC[C@H]43)no2)c1 ZINC000247451207 334281783 /nfs/dbraw/zinc/28/17/83/334281783.db2.gz HNFPHLZVQUCGAQ-GXTWGEPZSA-N 0 1 272.348 3.699 20 0 CHADMN CCc1ccc(CCN2CCCC[C@H]2c2nc(C)no2)cc1 ZINC000552057732 334282877 /nfs/dbraw/zinc/28/28/77/334282877.db2.gz FPIOCWSSULGVTM-KRWDZBQOSA-N 0 1 299.418 3.710 20 0 CHADMN CC[C@@H](N[C@@H](CO)c1ccccc1OC)c1cccc(C)c1 ZINC000552063858 334283780 /nfs/dbraw/zinc/28/37/80/334283780.db2.gz PWKWMAVPIQGBGM-MSOLQXFVSA-N 0 1 299.414 3.778 20 0 CHADMN Cc1ccc2c(c1)CN(Cc1cncs1)C(C)(C)C2 ZINC000552124405 334291765 /nfs/dbraw/zinc/29/17/65/334291765.db2.gz RAIUCNNJZSEYDU-UHFFFAOYSA-N 0 1 272.417 3.788 20 0 CHADMN C=Cn1cc(CN2CC[C@@H](C)[C@@H]2c2cccc(F)c2)cn1 ZINC000248745774 334315704 /nfs/dbraw/zinc/31/57/04/334315704.db2.gz AZKNFHMIKZYXHH-CXAGYDPISA-N 0 1 285.366 3.706 20 0 CHADMN C[C@H](c1nc(-c2cccs2)no1)N1[C@H](C)CC[C@@H]1C ZINC000248928134 334322122 /nfs/dbraw/zinc/32/21/22/334322122.db2.gz LYHPBGQHFHRGQX-OUAUKWLOSA-N 0 1 277.393 3.732 20 0 CHADMN C[C@H]1CN(Cc2sc3ccccc3c2Cl)CC[C@H]1O ZINC000249145406 334328990 /nfs/dbraw/zinc/32/89/90/334328990.db2.gz UBNSAYCNCVBNHQ-CMPLNLGQSA-N 0 1 295.835 3.757 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H]1c2ccccc2CC[C@H]1C ZINC000249181917 334329477 /nfs/dbraw/zinc/32/94/77/334329477.db2.gz IOCLDFXJKDVAOY-IFIJOSMWSA-N 0 1 281.403 3.759 20 0 CHADMN CCO[C@H](C)c1noc(CN(CC)[C@H]2CCCC[C@H]2C)n1 ZINC000249325050 334332158 /nfs/dbraw/zinc/33/21/58/334332158.db2.gz GSXSBMGYWCQHIO-MCIONIFRSA-N 0 1 295.427 3.568 20 0 CHADMN CCC(CC)NC(=O)[C@@H](C)N1CCC[C@H]1c1cccs1 ZINC000249345068 334332338 /nfs/dbraw/zinc/33/23/38/334332338.db2.gz TZXNGFNIQBWLEF-OCCSQVGLSA-N 0 1 294.464 3.578 20 0 CHADMN CCS[C@@H]1CCCC[C@@H]1N[C@H](C)c1nc(C2CC2)no1 ZINC000249514311 334335320 /nfs/dbraw/zinc/33/53/20/334335320.db2.gz PPMHVYMRSYWDKB-KGYLQXTDSA-N 0 1 295.452 3.662 20 0 CHADMN CC[C@]1(CO)CCCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000249586619 334337364 /nfs/dbraw/zinc/33/73/64/334337364.db2.gz TZVHCJOVPRLPCP-WBMJQRKESA-N 0 1 283.362 3.510 20 0 CHADMN O=C(Cc1ccc(F)cc1F)Nc1cccc(Cl)c1O ZINC000088375608 334337597 /nfs/dbraw/zinc/33/75/97/334337597.db2.gz ILSZWFNRSLLBFE-UHFFFAOYSA-N 0 1 297.688 3.505 20 0 CHADMN Cc1nc([C@@H](C)NCCOc2ccc(C)cc2C)cs1 ZINC000552893935 334349808 /nfs/dbraw/zinc/34/98/08/334349808.db2.gz ATJVWIHPCGQPCY-CYBMUJFWSA-N 0 1 290.432 3.798 20 0 CHADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC1CCCCCC1 ZINC000250837879 334351878 /nfs/dbraw/zinc/35/18/78/334351878.db2.gz LFHUKVJSVZEAAY-OAGGEKHMSA-N 0 1 279.424 3.675 20 0 CHADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC1CCCCCC1 ZINC000250837883 334351889 /nfs/dbraw/zinc/35/18/89/334351889.db2.gz LFHUKVJSVZEAAY-XHSDSOJGSA-N 0 1 279.424 3.675 20 0 CHADMN C[C@@H]1CCC[C@H](NCc2noc(-c3cccs3)n2)[C@@H]1C ZINC000552979755 334354480 /nfs/dbraw/zinc/35/44/80/334354480.db2.gz XZMIZTZECHOLGS-UTUOFQBUSA-N 0 1 291.420 3.712 20 0 CHADMN C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000251142353 334357084 /nfs/dbraw/zinc/35/70/84/334357084.db2.gz WOCHSYLFABTRAN-QWHCGFSZSA-N 0 1 277.408 3.698 20 0 CHADMN CCc1ccc([C@H](NCc2cc(C)ncn2)C(C)C)cc1 ZINC000553104371 334361769 /nfs/dbraw/zinc/36/17/69/334361769.db2.gz XEGFIUWMXKWWAX-GOSISDBHSA-N 0 1 283.419 3.834 20 0 CHADMN COc1ccccc1CN(CCC(F)(F)F)CC1CC1 ZINC000091901837 334385693 /nfs/dbraw/zinc/38/56/93/334385693.db2.gz QMFKHUBVZWGICN-UHFFFAOYSA-N 0 1 287.325 3.860 20 0 CHADMN CCc1cc(C(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2)n[nH]1 ZINC000553509789 334389192 /nfs/dbraw/zinc/38/91/92/334389192.db2.gz HEUVCMYSWQWOFH-SUMWQHHRSA-N 0 1 297.402 3.586 20 0 CHADMN Cc1ccc2nc(NC(=O)c3c(C)cccc3C)[nH]c2c1 ZINC000553812362 334399611 /nfs/dbraw/zinc/39/96/11/334399611.db2.gz VDFOMJSJOCACOU-UHFFFAOYSA-N 0 1 279.343 3.740 20 0 CHADMN CC[C@@H]1CC[C@@H]1N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000554096177 334412189 /nfs/dbraw/zinc/41/21/89/334412189.db2.gz JFZASCZJGIUAAI-ICCXJUOJSA-N 0 1 288.218 3.805 20 0 CHADMN CCC1(C)CCN(Cc2ccc(Cl)cn2)CC1 ZINC000554316665 334421861 /nfs/dbraw/zinc/42/18/61/334421861.db2.gz RLKQKJKSKHADQJ-UHFFFAOYSA-N 0 1 252.789 3.747 20 0 CHADMN Cc1cc([C@@H](C)NCCc2ccc(C(C)C)cc2)no1 ZINC000554574012 334439990 /nfs/dbraw/zinc/43/99/90/334439990.db2.gz GTIBYMIRSQPWIP-CQSZACIVSA-N 0 1 272.392 4.000 20 0 CHADMN CC(C)[C@H](CC(F)(F)F)N[C@@H](C)c1cn2ccccc2n1 ZINC000565218346 334545848 /nfs/dbraw/zinc/54/58/48/334545848.db2.gz PMWRDRMPKXIEPU-RYUDHWBXSA-N 0 1 299.340 3.962 20 0 CHADMN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NCC(C)(F)F)CC3 ZINC000565295525 334550580 /nfs/dbraw/zinc/55/05/80/334550580.db2.gz RVNQGJOYYBPEAT-NSHDSACASA-N 0 1 278.346 3.578 20 0 CHADMN Cc1ccc([C@H](C)N[C@H](c2ccccc2F)[C@H](C)O)cc1 ZINC000565838915 334601858 /nfs/dbraw/zinc/60/18/58/334601858.db2.gz VILVMLVROWKZSP-DEYYWGMASA-N 0 1 287.378 3.907 20 0 CHADMN CC[C@H](N[C@@H](C)c1ccccc1F)c1c(C)nn(C)c1C ZINC000153490536 334608933 /nfs/dbraw/zinc/60/89/33/334608933.db2.gz XLQBEQVQEYPAND-ZBEGNZNMSA-N 0 1 289.398 3.978 20 0 CHADMN C[C@H](N[C@H]1CC[C@H]1C1CC1)c1noc(-c2ccccc2)n1 ZINC000566360230 334644637 /nfs/dbraw/zinc/64/46/37/334644637.db2.gz VKERILRSAFPTMH-CQDKDKBSSA-N 0 1 283.375 3.576 20 0 CHADMN Cc1nc2cc(N[C@@H]3CS[C@@H](C(C)C)C3)ccc2n1C ZINC000566538204 334654649 /nfs/dbraw/zinc/65/46/49/334654649.db2.gz ZIUPFAFPUYMIPC-XJKSGUPXSA-N 0 1 289.448 3.824 20 0 CHADMN COC[C@@H](N[C@@H](C)c1nc(C(C)(C)C)cs1)C1CC1 ZINC000154057378 334686559 /nfs/dbraw/zinc/68/65/59/334686559.db2.gz NDQATTJHFVXLBZ-CMPLNLGQSA-N 0 1 282.453 3.516 20 0 CHADMN CCOc1ccccc1[C@H](C)N[C@@H]1CCCc2c1cnn2C ZINC000268834081 334717111 /nfs/dbraw/zinc/71/71/11/334717111.db2.gz RNNWQLBMABLKPC-XJKSGUPXSA-N 0 1 299.418 3.547 20 0 CHADMN C[C@@H](N[C@@H](C)c1ccccc1C(F)(F)F)c1cnn(C)c1 ZINC000268875603 334717745 /nfs/dbraw/zinc/71/77/45/334717745.db2.gz WMKXMVDUXGVMNM-MNOVXSKESA-N 0 1 297.324 3.851 20 0 CHADMN C[C@@H]1CC[C@@H](C)N1Cc1coc(-c2c(F)cccc2F)n1 ZINC000155515967 334722909 /nfs/dbraw/zinc/72/29/09/334722909.db2.gz BMSKTTJVSMRUII-GHMZBOCLSA-N 0 1 292.329 3.993 20 0 CHADMN Cc1ncncc1[C@@H](C)N[C@H](CC(F)F)c1ccccc1 ZINC000568239493 334807633 /nfs/dbraw/zinc/80/76/33/334807633.db2.gz NGFQTQVRZWJCNA-IUODEOHRSA-N 0 1 291.345 3.832 20 0 CHADMN CCc1cnc(CNC(C)(C)Cc2ccc(C)cc2)o1 ZINC000572944915 334893465 /nfs/dbraw/zinc/89/34/65/334893465.db2.gz ZKYZNUQVNGEFGZ-UHFFFAOYSA-N 0 1 272.392 3.656 20 0 CHADMN Cc1cc(C[N@H+]2CCC[C@@H]2c2ccccc2C)oc1C(=O)[O-] ZINC000576353603 335193494 /nfs/dbraw/zinc/19/34/94/335193494.db2.gz ZEVKHOBDFFDQOD-MRXNPFEDSA-N 0 1 299.370 3.932 20 0 CHADMN CC(C)C[C@@H](C)C[N@H+](Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000576352990 335193506 /nfs/dbraw/zinc/19/35/06/335193506.db2.gz LIHUODNBTAWPAK-HZPDHXFCSA-N 0 1 291.435 3.892 20 0 CHADMN c1c2cccnc2[nH]c1-c1nc(CC2CCCCC2)no1 ZINC000576376825 335196409 /nfs/dbraw/zinc/19/64/09/335196409.db2.gz XWEKTTMZPJJNKR-UHFFFAOYSA-N 0 1 282.347 3.736 20 0 CHADMN CC1(C)CCCC[C@@H]1NCc1nccc(C(F)(F)F)n1 ZINC000576447698 335204253 /nfs/dbraw/zinc/20/42/53/335204253.db2.gz YSRDYHCLSUEQBY-JTQLQIEISA-N 0 1 287.329 3.554 20 0 CHADMN CCC1(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)CCC1 ZINC000192488379 335209652 /nfs/dbraw/zinc/20/96/52/335209652.db2.gz DQSYWAKCLJFWDT-UHFFFAOYSA-N 0 1 287.363 3.805 20 0 CHADMN CCc1cccc(CN[C@@H]2COCc3ccccc32)c1 ZINC000576589537 335223254 /nfs/dbraw/zinc/22/32/54/335223254.db2.gz RNRLJDPYWDWYPW-GOSISDBHSA-N 0 1 267.372 3.610 20 0 CHADMN CC[N@@H+](CCc1ccccc1C(=O)[O-])Cc1ccccc1C ZINC000576761536 335245039 /nfs/dbraw/zinc/24/50/39/335245039.db2.gz PXLRHKSZINUSBN-UHFFFAOYSA-N 0 1 297.398 3.758 20 0 CHADMN C[N@@H+](Cc1nc2ccc(Br)cc2[nH]1)C(C)(C)C ZINC000576985368 335273755 /nfs/dbraw/zinc/27/37/55/335273755.db2.gz ASUZSMOAJSODNF-UHFFFAOYSA-N 0 1 296.212 3.556 20 0 CHADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000580561383 335281596 /nfs/dbraw/zinc/28/15/96/335281596.db2.gz XILXVBICJWZLPT-BLLLJJGKSA-N 0 1 293.382 3.925 20 0 CHADMN Cc1noc([C@@H](C)N(C)[C@@H](C)CCc2cccc(F)c2)n1 ZINC000580571081 335285370 /nfs/dbraw/zinc/28/53/70/335285370.db2.gz XAGWNXYSPJKVON-NWDGAFQWSA-N 0 1 291.370 3.531 20 0 CHADMN COc1cccc([C@@H](C)N2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000577052659 335290636 /nfs/dbraw/zinc/29/06/36/335290636.db2.gz AONDRNTTZWTDFA-CZUORRHYSA-N 0 1 277.408 3.503 20 0 CHADMN C[C@@H]1CCC[C@@H](c2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000580659792 335314897 /nfs/dbraw/zinc/31/48/97/335314897.db2.gz SDBMJCFAWYBRAB-ZYHUDNBSSA-N 0 1 282.347 3.907 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000577286508 335335598 /nfs/dbraw/zinc/33/55/98/335335598.db2.gz VBXPMQCENYQRSW-VIFPVBQESA-N 0 1 279.405 3.518 20 0 CHADMN Cc1sc(C(=O)[O-])cc1C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000577286507 335335647 /nfs/dbraw/zinc/33/56/47/335335647.db2.gz VBXPMQCENYQRSW-SECBINFHSA-N 0 1 279.405 3.518 20 0 CHADMN CC[C@@]1(C)CCC[N@H+]([C@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000577499676 335359951 /nfs/dbraw/zinc/35/99/51/335359951.db2.gz GPGSCPJVXOYLNX-BZNIZROVSA-N 0 1 279.380 3.859 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)CCCc1ccccc1 ZINC000577499323 335359989 /nfs/dbraw/zinc/35/99/89/335359989.db2.gz VRIATLZQYQEEGK-CYBMUJFWSA-N 0 1 287.359 3.603 20 0 CHADMN CSC1(CNc2ccc3c(c2)nc(C)n3C)CCC1 ZINC000577550862 335367670 /nfs/dbraw/zinc/36/76/70/335367670.db2.gz UDHSUBXYQVKBSP-UHFFFAOYSA-N 0 1 275.421 3.579 20 0 CHADMN CC(C)(C)c1cccc(-c2nc(C3(N)CCCC3)no2)c1 ZINC000577623412 335380834 /nfs/dbraw/zinc/38/08/34/335380834.db2.gz OPPCDSNOXWUEBH-UHFFFAOYSA-N 0 1 285.391 3.762 20 0 CHADMN Cc1noc([C@@H](C)[N@H+](C)C[C@@H](C)CCc2ccccc2)n1 ZINC000577626788 335381856 /nfs/dbraw/zinc/38/18/56/335381856.db2.gz SPFKRAPWRSAQNF-UONOGXRCSA-N 0 1 287.407 3.640 20 0 CHADMN Cc1noc([C@@H](C)N(C)C[C@@H](C)CCc2ccccc2)n1 ZINC000577626788 335381857 /nfs/dbraw/zinc/38/18/57/335381857.db2.gz SPFKRAPWRSAQNF-UONOGXRCSA-N 0 1 287.407 3.640 20 0 CHADMN CC(C)(C)CCC[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000577642678 335384873 /nfs/dbraw/zinc/38/48/73/335384873.db2.gz QHCBCEWPVFIFSC-GOSISDBHSA-N 0 1 289.419 3.541 20 0 CHADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C ZINC000577732584 335393936 /nfs/dbraw/zinc/39/39/36/335393936.db2.gz KFYUKEMRWMTQRM-DGCLKSJQSA-N 0 1 291.439 3.786 20 0 CHADMN CCCC1CCC(C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000577751982 335397578 /nfs/dbraw/zinc/39/75/78/335397578.db2.gz YESWLZIINWQITM-SLTXQBBLSA-N 0 1 281.440 3.636 20 0 CHADMN CC(C)(C)OCCN[C@@H]1CCCOc2cc(F)cc(F)c21 ZINC000577818671 335405039 /nfs/dbraw/zinc/40/50/39/335405039.db2.gz HVLBEYXPVZAJCZ-CYBMUJFWSA-N 0 1 299.361 3.583 20 0 CHADMN COc1ccsc1[C@@H](C)N[C@@H](CO)c1sccc1C ZINC000349418207 335465842 /nfs/dbraw/zinc/46/58/42/335465842.db2.gz BBFJPLNPIHQSFY-MNOVXSKESA-N 0 1 297.445 3.511 20 0 CHADMN Cc1cnn(C)c1CN[C@@H](C)c1oc2ccccc2c1C ZINC000352702757 335630731 /nfs/dbraw/zinc/63/07/31/335630731.db2.gz BETTWNDFOAGSDS-ZDUSSCGKSA-N 0 1 283.375 3.634 20 0 CHADMN CCn1nc(C)c(CNCc2ccc(C)cc2Cl)c1C ZINC000578874062 335683222 /nfs/dbraw/zinc/68/32/22/335683222.db2.gz QFFMYWUVXRADTC-UHFFFAOYSA-N 0 1 291.826 3.771 20 0 CHADMN CO[C@@H]1[C@H](C)[C@H](N[C@H](C)c2ncc(C(C)(C)C)o2)C1(C)C ZINC000579021065 335701465 /nfs/dbraw/zinc/70/14/65/335701465.db2.gz URFOFIYELHJCFD-MHDGFBEUSA-N 0 1 294.439 3.682 20 0 CHADMN F[C@H]1CCC[C@H]1NCc1cnc(-c2ccccc2)s1 ZINC000580729570 335960824 /nfs/dbraw/zinc/96/08/24/335960824.db2.gz UWGIXBIWAZIPMC-UONOGXRCSA-N 0 1 276.380 3.790 20 0 CHADMN COc1cc(C)c(CN(C)Cc2cccs2)cc1OC ZINC000194297568 336015646 /nfs/dbraw/zinc/01/56/46/336015646.db2.gz VPLSGSCBOJMGPN-UHFFFAOYSA-N 0 1 291.416 3.706 20 0 CHADMN [O-]c1cccc(C[NH2+]CCc2ccccc2F)c1Cl ZINC000381245292 336056593 /nfs/dbraw/zinc/05/65/93/336056593.db2.gz AQSBIYAMAHNDBS-UHFFFAOYSA-N 0 1 279.742 3.517 20 0 CHADMN CC(C)(c1nc(-c2ccc3[nH]cnc3c2)no1)C1CCC1 ZINC000581352197 336058160 /nfs/dbraw/zinc/05/81/60/336058160.db2.gz CLGUKWZOORWZST-UHFFFAOYSA-N 0 1 282.347 3.691 20 0 CHADMN Cc1ccc(CCN(C)Cc2cc(C(C)(C)C)n[nH]2)cc1 ZINC000581363524 336061277 /nfs/dbraw/zinc/06/12/77/336061277.db2.gz BGCLNBHHLOVXOW-UHFFFAOYSA-N 0 1 285.435 3.690 20 0 CHADMN CCC[N@@H+](CC)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000581375123 336064278 /nfs/dbraw/zinc/06/42/78/336064278.db2.gz PNAQMVJYHSKPKH-GFCCVEGCSA-N 0 1 290.190 3.851 20 0 CHADMN CC(C)[C@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC000381555430 336068163 /nfs/dbraw/zinc/06/81/63/336068163.db2.gz VKOBFLAFXQYNIA-CYBMUJFWSA-N 0 1 281.783 3.659 20 0 CHADMN COC(=O)c1cccc(CN2C[C@H](C)CC[C@H]2C)c1Cl ZINC000381741798 336072181 /nfs/dbraw/zinc/07/21/81/336072181.db2.gz URTWVGIGJZWUFI-VXGBXAGGSA-N 0 1 295.810 3.747 20 0 CHADMN CCC(CC)C[N@@H+](CC)[C@H](C(=O)[O-])c1ccccc1F ZINC000581494108 336089553 /nfs/dbraw/zinc/08/95/53/336089553.db2.gz WOIUKFGJPYDYCJ-HNNXBMFYSA-N 0 1 281.371 3.710 20 0 CHADMN COC(=O)c1ccc([C@@H](C)N2CC=C(C(C)(C)C)CC2)o1 ZINC000382546990 336093146 /nfs/dbraw/zinc/09/31/46/336093146.db2.gz PKZJIFHSHZXPGJ-GFCCVEGCSA-N 0 1 291.391 3.805 20 0 CHADMN Cc1cnc([C@H](C)N[C@@H]2C=CCCCCC2)s1 ZINC000383132648 336104704 /nfs/dbraw/zinc/10/47/04/336104704.db2.gz VHXBNBUUAHZUFG-QWHCGFSZSA-N 0 1 250.411 3.991 20 0 CHADMN Cc1ccsc1C[N@@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000383822214 336118500 /nfs/dbraw/zinc/11/85/00/336118500.db2.gz LVHGTLQUQJOSCB-UHFFFAOYSA-N 0 1 291.391 3.900 20 0 CHADMN CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000384312347 336123668 /nfs/dbraw/zinc/12/36/68/336123668.db2.gz NTVBGDTYHPUQCE-CMPLNLGQSA-N 0 1 253.773 3.666 20 0 CHADMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cccc([O-])c1Cl ZINC000384312347 336123669 /nfs/dbraw/zinc/12/36/69/336123669.db2.gz NTVBGDTYHPUQCE-CMPLNLGQSA-N 0 1 253.773 3.666 20 0 CHADMN CCC[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])oc2CC)C1 ZINC000581671826 336126075 /nfs/dbraw/zinc/12/60/75/336126075.db2.gz KGEIGFKJOJALPS-GFCCVEGCSA-N 0 1 279.380 3.552 20 0 CHADMN O=C([O-])c1coc(C[N@H+]2CCC[C@H]2C2CCCCC2)c1 ZINC000581731638 336139260 /nfs/dbraw/zinc/13/92/60/336139260.db2.gz JMTMRNIJQGXGMP-HNNXBMFYSA-N 0 1 277.364 3.523 20 0 CHADMN c1cc(CN(C[C@H]2CCC3(CCCC3)O2)C2CC2)ccn1 ZINC000581836799 336150443 /nfs/dbraw/zinc/15/04/43/336150443.db2.gz ORMAUIATBVTOPL-QGZVFWFLSA-N 0 1 286.419 3.538 20 0 CHADMN CSc1ccc([C@H](C)N[C@@H](C)c2cncnc2C)cc1 ZINC000581954097 336178751 /nfs/dbraw/zinc/17/87/51/336178751.db2.gz JMMAWEGXIYXYJO-AAEUAGOBSA-N 0 1 287.432 3.919 20 0 CHADMN CC(C)(C)c1nc(CN[C@@H]2CC23CCCC3)cs1 ZINC000387162698 336186809 /nfs/dbraw/zinc/18/68/09/336186809.db2.gz RKGWGXDXUPQNNA-GFCCVEGCSA-N 0 1 264.438 3.863 20 0 CHADMN C[C@@H](NCc1cccc(Br)c1)c1ccoc1 ZINC000087289993 518178119 /nfs/dbraw/zinc/17/81/19/518178119.db2.gz ZGQAQMJMWQMRRD-SNVBAGLBSA-N 0 1 280.165 3.893 20 0 CHADMN CC(C)CCN[C@H](c1nccs1)c1ccccc1 ZINC000236736592 519664305 /nfs/dbraw/zinc/66/43/05/519664305.db2.gz BARJWNXFKWUVSQ-AWEZNQCLSA-N 0 1 260.406 3.868 20 0 CHADMN CC(C)c1cnc(CN[C@H]2CCC[C@@H]2OC(F)F)s1 ZINC000337285787 519851002 /nfs/dbraw/zinc/85/10/02/519851002.db2.gz KFWJJRJKQNJPCH-UWVGGRQHSA-N 0 1 290.379 3.516 20 0 CHADMN CCC[C@@H](C)N(C)Cc1csc(-c2ccccn2)n1 ZINC000264948335 520645181 /nfs/dbraw/zinc/64/51/81/520645181.db2.gz TUKSSGCYNAVOSD-GFCCVEGCSA-N 0 1 275.421 3.826 20 0 CHADMN CCN(Cc1cc(Cl)cs1)Cc1ccncc1 ZINC000289921637 521289738 /nfs/dbraw/zinc/28/97/38/521289738.db2.gz VUOCYKTVLHEONS-UHFFFAOYSA-N 0 1 266.797 3.819 20 0 CHADMN CCSCCN(C)Cc1cc(Cl)ccc1OC ZINC000340760604 521706509 /nfs/dbraw/zinc/70/65/09/521706509.db2.gz MOTSLRSRWYKKBU-UHFFFAOYSA-N 0 1 273.829 3.534 20 0 CHADMN CCSc1cc(CN[C@@H](C)c2cncs2)ccn1 ZINC000275141495 521734017 /nfs/dbraw/zinc/73/40/17/521734017.db2.gz RMLDUTUSGJERAA-JTQLQIEISA-N 0 1 279.434 3.501 20 0 CHADMN Cc1ccc(C)n1C1CCN([C@@H](C)c2cnc(C)cn2)CC1 ZINC000336111632 533724573 /nfs/dbraw/zinc/72/45/73/533724573.db2.gz LLROIWKBEHRFIC-INIZCTEOSA-N 0 1 298.434 3.601 20 0 CHADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCS[C@@H](C)[C@@H]2C)o1 ZINC000353852438 533745051 /nfs/dbraw/zinc/74/50/51/533745051.db2.gz CSUKHCCOYLABID-UHXUPSOCSA-N 0 1 265.422 3.729 20 0 CHADMN C[C@H]1CC[C@H]1NCc1csc(COc2ccccc2)n1 ZINC000353142101 533770224 /nfs/dbraw/zinc/77/02/24/533770224.db2.gz REYRJVSNOQBCET-SWLSCSKDSA-N 0 1 288.416 3.610 20 0 CHADMN Cc1ccc(CCC(=O)Nc2ccc3nc(C)[nH]c3c2)s1 ZINC000352145036 533777837 /nfs/dbraw/zinc/77/78/37/533777837.db2.gz DIIBUQDNNROMNF-UHFFFAOYSA-N 0 1 299.399 3.813 20 0 CHADMN COc1ccc(F)c(CN2CCC=C(c3ccco3)C2)c1 ZINC000353461632 533902662 /nfs/dbraw/zinc/90/26/62/533902662.db2.gz MXDKJIPOBUKCTD-UHFFFAOYSA-N 0 1 287.334 3.717 20 0 CHADMN C[C@H](O)CCCN(Cc1ccco1)Cc1cccs1 ZINC000354895189 534052477 /nfs/dbraw/zinc/05/24/77/534052477.db2.gz PKLCSUBZBKQEGS-ZDUSSCGKSA-N 0 1 279.405 3.504 20 0 CHADMN C[C@H](O)CCCN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000354926662 534053472 /nfs/dbraw/zinc/05/34/72/534053472.db2.gz UZQXJUSFOVSVPS-WFASDCNBSA-N 0 1 299.867 3.591 20 0 CHADMN Cc1cc(C)n(CCN2CC(C)(C)[C@@H]2c2cccs2)n1 ZINC000347619762 534108283 /nfs/dbraw/zinc/10/82/83/534108283.db2.gz QQTGHUKNTPPYPQ-HNNXBMFYSA-N 0 1 289.448 3.645 20 0 CHADMN C[C@H]1c2ccccc2CCN1Cc1ccc2c(c1)OCCO2 ZINC000353408664 534151626 /nfs/dbraw/zinc/15/16/26/534151626.db2.gz UOJVHDDVEBMMCP-AWEZNQCLSA-N 0 1 295.382 3.577 20 0 CHADMN C[C@]1(C(N)=O)CCCCN1Cc1cc2ccccc2o1 ZINC000332235805 534162213 /nfs/dbraw/zinc/16/22/13/534162213.db2.gz NQWVBNOQTYPJEF-MRXNPFEDSA-N 0 1 272.348 3.713 20 0 CHADMN CSc1ccc(CN(C)Cc2cnccc2C)cc1 ZINC000353364556 534203317 /nfs/dbraw/zinc/20/33/17/534203317.db2.gz QNUOSFSWLPISEN-UHFFFAOYSA-N 0 1 272.417 3.744 20 0 CHADMN C[C@@H]1SCCN(Cc2ccco2)[C@@H]1c1ccccc1 ZINC000353802746 534220856 /nfs/dbraw/zinc/22/08/56/534220856.db2.gz IPQNDADWJCKWRH-BBRMVZONSA-N 0 1 273.401 3.958 20 0 CHADMN C[C@@H]1CC[C@H](C)N1Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356108417 534228285 /nfs/dbraw/zinc/22/82/85/534228285.db2.gz ITXCVUFOBFCULE-AOOOYVTPSA-N 0 1 273.298 3.784 20 0 CHADMN C[C@@H](F)CCN(C)Cc1ccccc1Br ZINC000352112481 534275552 /nfs/dbraw/zinc/27/55/52/534275552.db2.gz BUWDNWYQJCMFFS-SNVBAGLBSA-N 0 1 274.177 3.629 20 0 CHADMN CN(C)c1ccccc1CNC1(c2cccc(F)c2)CC1 ZINC000152869106 517916877 /nfs/dbraw/zinc/91/68/77/517916877.db2.gz APXXENQYHGSJNC-UHFFFAOYSA-N 0 1 284.378 3.671 20 0 CHADMN FC1(F)CCC[C@H](NCc2nccn2-c2ccccc2)C1 ZINC000359709395 518195988 /nfs/dbraw/zinc/19/59/88/518195988.db2.gz XLBMHFRVRLEURG-ZDUSSCGKSA-N 0 1 291.345 3.540 20 0 CHADMN Fc1ccc(CNCc2cc(Cl)cs2)c(F)c1 ZINC000093094981 518196130 /nfs/dbraw/zinc/19/61/30/518196130.db2.gz CWIPSYBRLZQOQA-UHFFFAOYSA-N 0 1 273.735 3.970 20 0 CHADMN C/C(=C/c1nc([C@@H](N)CC(C)C)no1)C(C)(C)C ZINC000339394660 518415883 /nfs/dbraw/zinc/41/58/83/518415883.db2.gz JGSTZMHRWSMEMH-IEHMKBBKSA-N 0 1 251.374 3.565 20 0 CHADMN FC(F)(F)C1CCN(Cc2cc3cccnc3o2)CC1 ZINC000336228480 534381387 /nfs/dbraw/zinc/38/13/87/534381387.db2.gz VEAKGWFCMNMTMD-UHFFFAOYSA-N 0 1 284.281 3.602 20 0 CHADMN CC(C)(C)[C@H]1CCCN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000265674317 518974432 /nfs/dbraw/zinc/97/44/32/518974432.db2.gz RSUQOKVONPNJPZ-OAHLLOKOSA-N 0 1 297.402 3.727 20 0 CHADMN CC(C)(CC(=O)Nc1cccc(Cl)c1O)C(F)(F)F ZINC000280814035 519194266 /nfs/dbraw/zinc/19/42/66/519194266.db2.gz XFNGFURPPUXYEG-UHFFFAOYSA-N 0 1 295.688 3.963 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H]2Cc3ccccc3S2)n1 ZINC000339386559 519235223 /nfs/dbraw/zinc/23/52/23/519235223.db2.gz FRMYYOZNPGRTNV-YPMHNXCESA-N 0 1 289.404 3.505 20 0 CHADMN CC(C)C[C@@H](N)c1noc([C@@H](C)c2ccc(Cl)s2)n1 ZINC000339393245 519235388 /nfs/dbraw/zinc/23/53/88/519235388.db2.gz LWPKDXDWRHNSNS-DTWKUNHWSA-N 0 1 299.827 3.982 20 0 CHADMN CC(C)(NCc1ccc(Cl)nc1)c1ccccc1F ZINC000291628844 519320850 /nfs/dbraw/zinc/32/08/50/519320850.db2.gz AJPLZLYDWBAURJ-UHFFFAOYSA-N 0 1 278.758 3.899 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2cc(Cl)ccc2F)n1 ZINC000339368525 519369839 /nfs/dbraw/zinc/36/98/39/519369839.db2.gz VUGHZHUJMFOHDI-NSHDSACASA-N 0 1 283.734 3.575 20 0 CHADMN CC(C)C[C@H](N)c1noc(-c2ccccc2OC(C)C)n1 ZINC000339386658 519371335 /nfs/dbraw/zinc/37/13/35/519371335.db2.gz XHODAPBFNALVEX-ZDUSSCGKSA-N 0 1 289.379 3.570 20 0 CHADMN CC(C)C[C@H](N)c1noc([C@]2(C)CCCc3ccccc32)n1 ZINC000339363237 519382065 /nfs/dbraw/zinc/38/20/65/519382065.db2.gz RDWQPGOXTWTRIB-MAUKXSAKSA-N 0 1 299.418 3.758 20 0 CHADMN CC(C)C1(CNCc2ncc(C(F)(F)F)s2)CC1 ZINC000278576022 519553602 /nfs/dbraw/zinc/55/36/02/519553602.db2.gz FFVYAHFOEPPFNO-UHFFFAOYSA-N 0 1 278.343 3.688 20 0 CHADMN CC(C)N(C(=O)c1cnc(-c2ccccc2)[nH]1)C1CCCC1 ZINC000265600186 519574765 /nfs/dbraw/zinc/57/47/65/519574765.db2.gz LJUVFUPSYJYERZ-UHFFFAOYSA-N 0 1 297.402 3.870 20 0 CHADMN CC(C)CCCN[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000338424299 519642484 /nfs/dbraw/zinc/64/24/84/519642484.db2.gz VUYRRULSBDKKEP-MRXNPFEDSA-N 0 1 289.398 3.674 20 0 CHADMN CC(C)CC[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263580915 519694215 /nfs/dbraw/zinc/69/42/15/519694215.db2.gz WMJSPRKCZUVDOI-MRXNPFEDSA-N 0 1 275.392 3.785 20 0 CHADMN CC(C)OCCNCc1csc(Cl)c1Cl ZINC000308852387 519768129 /nfs/dbraw/zinc/76/81/29/519768129.db2.gz OVCCYSLKWVLBTJ-UHFFFAOYSA-N 0 1 268.209 3.570 20 0 CHADMN CC(C)Oc1ccc(CN[C@@H](C)c2ccco2)cc1 ZINC000037260168 519779850 /nfs/dbraw/zinc/77/98/50/519779850.db2.gz MOPSFUQXIQSPMZ-ZDUSSCGKSA-N 0 1 259.349 3.918 20 0 CHADMN CC(C)Oc1ccccc1CN[C@@H](C)c1ccncc1 ZINC000034992760 519784401 /nfs/dbraw/zinc/78/44/01/519784401.db2.gz CQWAOBNOWVQQOP-AWEZNQCLSA-N 0 1 270.376 3.720 20 0 CHADMN CC(C)[C@H](NCc1cc[nH]n1)c1ccc(C(F)(F)F)cc1 ZINC000130348950 519820846 /nfs/dbraw/zinc/82/08/46/519820846.db2.gz YGKAWNPQYOJLDU-AWEZNQCLSA-N 0 1 297.324 3.915 20 0 CHADMN CC(C)[C@H](NCc1ccno1)c1ccc(Cl)cc1 ZINC000264748077 519821142 /nfs/dbraw/zinc/82/11/42/519821142.db2.gz VTQLQXILVAGJGB-AWEZNQCLSA-N 0 1 264.756 3.815 20 0 CHADMN CC(C)c1cc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)n[nH]1 ZINC000115452464 519832051 /nfs/dbraw/zinc/83/20/51/519832051.db2.gz SWALALVXISJPHH-UKRRQHHQSA-N 0 1 297.402 3.551 20 0 CHADMN CC(C)c1cccc(NC(=O)[C@](C)(N)c2ccccc2)c1 ZINC000052881371 519842467 /nfs/dbraw/zinc/84/24/67/519842467.db2.gz YLVAYKJLBJLKNX-GOSISDBHSA-N 0 1 282.387 3.623 20 0 CHADMN CC(C)c1ccccc1NC(=O)c1ccc(CN(C)C)nc1 ZINC000339243325 519846523 /nfs/dbraw/zinc/84/65/23/519846523.db2.gz ZKFVYQPVOUCEOY-UHFFFAOYSA-N 0 1 297.402 3.519 20 0 CHADMN Cc1noc([C@@H]2CCCN2CCC2C[C@H](C)C[C@@H](C)C2)n1 ZINC000353569865 534451664 /nfs/dbraw/zinc/45/16/64/534451664.db2.gz GZOWCZNMEIGTPV-IOASZLSFSA-N 0 1 291.439 3.977 20 0 CHADMN CC(C)c1nc(CN2CC[C@@H]2c2ccc(Cl)cc2)n[nH]1 ZINC000292541064 519863066 /nfs/dbraw/zinc/86/30/66/519863066.db2.gz PXZOMPOQAFDDQN-CYBMUJFWSA-N 0 1 290.798 3.529 20 0 CHADMN CCCC1(CN[C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000128037163 519893338 /nfs/dbraw/zinc/89/33/38/519893338.db2.gz PSZDMSGKZKOZJC-HNNXBMFYSA-N 0 1 269.392 3.669 20 0 CHADMN Fc1ccc(CN2Cc3ccccc3C3(CC3)C2)cc1 ZINC000481719002 534465907 /nfs/dbraw/zinc/46/59/07/534465907.db2.gz BLQUAFLOBUEQEQ-UHFFFAOYSA-N 0 1 267.347 3.873 20 0 CHADMN Fc1ccc(CNCc2ccc3ccccc3c2)nc1 ZINC000344920380 534467194 /nfs/dbraw/zinc/46/71/94/534467194.db2.gz PNIKYBCRGJDPNU-UHFFFAOYSA-N 0 1 266.319 3.664 20 0 CHADMN CC(C)n1nccc1CN1CCC[C@H]1c1cccs1 ZINC000279633886 520101325 /nfs/dbraw/zinc/10/13/25/520101325.db2.gz LDFNAPSTNSEMAX-AWEZNQCLSA-N 0 1 275.421 3.863 20 0 CHADMN CCCNc1ccc(CN[C@@H](C)c2ccc(F)cn2)cc1 ZINC000278877671 520159986 /nfs/dbraw/zinc/15/99/86/520159986.db2.gz XPAWRXLQJFIQCO-ZDUSSCGKSA-N 0 1 287.382 3.893 20 0 CHADMN CCCOc1ccc(CNCc2ccsc2C)cn1 ZINC000293503388 520367965 /nfs/dbraw/zinc/36/79/65/520367965.db2.gz HLVDMXQMOWXYOK-UHFFFAOYSA-N 0 1 276.405 3.530 20 0 CHADMN CC1(C)CCc2ccccc2[C@H](NCc2cc[nH]n2)C1 ZINC000280907217 520415342 /nfs/dbraw/zinc/41/53/42/520415342.db2.gz RSUYIWOLWHKLOT-MRXNPFEDSA-N 0 1 269.392 3.603 20 0 CHADMN CC1(C)CN(Cc2ccc3ccccc3n2)[C@@H]1[C@H]1CCCO1 ZINC000289772714 520480114 /nfs/dbraw/zinc/48/01/14/520480114.db2.gz MENRGEBUWAMSSI-QZTJIDSGSA-N 0 1 296.414 3.624 20 0 CHADMN Fc1ccc2c(c1)CCN(Cc1ccc3ncccc3c1)C2 ZINC000354752591 534498899 /nfs/dbraw/zinc/49/88/99/534498899.db2.gz AKEASKCYWYRIES-UHFFFAOYSA-N 0 1 292.357 3.932 20 0 CHADMN CCC[C@@H](N[C@@H](C)c1n[nH]c(CC)n1)c1ccsc1 ZINC000276894726 520787686 /nfs/dbraw/zinc/78/76/86/520787686.db2.gz IFXKZHJZTBONKW-CMPLNLGQSA-N 0 1 278.425 3.621 20 0 CHADMN CCN(CC)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000363365172 520858513 /nfs/dbraw/zinc/85/85/13/520858513.db2.gz ZEJKDCCFRLOZTI-SNVBAGLBSA-N 0 1 279.771 3.793 20 0 CHADMN CC1=CC[C@@H](N[C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000294566471 520873091 /nfs/dbraw/zinc/87/30/91/520873091.db2.gz GDSZBUPMGBKPQV-GDBMZVCRSA-N 0 1 297.402 3.810 20 0 CHADMN CCC[C@@](C)(CC)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000280257839 520907236 /nfs/dbraw/zinc/90/72/36/520907236.db2.gz USPCSAKSFMWYBP-MRXNPFEDSA-N 0 1 291.370 3.535 20 0 CHADMN CCOc1ccc(CN(C)[C@@H](C)c2ccncc2)cc1F ZINC000278701589 520964374 /nfs/dbraw/zinc/96/43/74/520964374.db2.gz PGYAFQWMYGRAJB-ZDUSSCGKSA-N 0 1 288.366 3.812 20 0 CHADMN CCCCS[C@H](C)c1nc([C@@H](N)CC(C)C)no1 ZINC000339393816 520976869 /nfs/dbraw/zinc/97/68/69/520976869.db2.gz HOMCXONMENAOGP-MNOVXSKESA-N 0 1 271.430 3.710 20 0 CHADMN CCCC[C@@H](CC)c1nc([C@H](N)CC(C)C)no1 ZINC000339394817 521039455 /nfs/dbraw/zinc/03/94/55/521039455.db2.gz PANUTHCVQAWWGU-VXGBXAGGSA-N 0 1 253.390 3.799 20 0 CHADMN CCCC[C@H](C)N(C)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000291921698 521141213 /nfs/dbraw/zinc/14/12/13/521141213.db2.gz AZNYKURIZYJKKT-LBPRGKRZSA-N 0 1 273.380 3.522 20 0 CHADMN CCC[C@H](NCc1ccc(C(=O)OC)o1)c1ccccc1 ZINC000034994200 521164190 /nfs/dbraw/zinc/16/41/90/521164190.db2.gz LBYRLVWTUQWYLQ-HNNXBMFYSA-N 0 1 287.359 3.697 20 0 CHADMN CCN(Cc1cccc(F)c1)[C@@H](C)c1cccnc1 ZINC000263913452 521348249 /nfs/dbraw/zinc/34/82/49/521348249.db2.gz MUMSTHAWRSOKQI-ZDUSSCGKSA-N 0 1 258.340 3.804 20 0 CHADMN CCN(Cc1ccncc1)[C@@H](C)c1ccc(F)c(F)c1 ZINC000266010974 521420444 /nfs/dbraw/zinc/42/04/44/521420444.db2.gz LXYPRFLMBNMUSN-LBPRGKRZSA-N 0 1 276.330 3.943 20 0 CHADMN CCCN(C(=O)c1cnc(C)[nH]1)[C@@H](CC)c1ccccc1 ZINC000339223105 521448328 /nfs/dbraw/zinc/44/83/28/521448328.db2.gz MIOOIJMLTZUEDH-INIZCTEOSA-N 0 1 285.391 3.722 20 0 CHADMN CCCN(C(=O)c1cnc[nH]1)[C@@H](C)c1cc2ccccc2o1 ZINC000263683563 521448753 /nfs/dbraw/zinc/44/87/53/521448753.db2.gz NZDLKNBUNGOBHS-LBPRGKRZSA-N 0 1 297.358 3.769 20 0 CHADMN CCN(c1ccc(NCc2n[nH]cc2C)cc1)C(C)C ZINC000289912833 521490718 /nfs/dbraw/zinc/49/07/18/521490718.db2.gz OCMYNWBLGJDGJZ-UHFFFAOYSA-N 0 1 272.396 3.565 20 0 CHADMN CCC(CC)CN(CC)C(=O)c1cccc2[nH]c(C)nc21 ZINC000338439579 521517231 /nfs/dbraw/zinc/51/72/31/521517231.db2.gz NALJOCYMLHWIOI-UHFFFAOYSA-N 0 1 287.407 3.770 20 0 CHADMN CCCn1c(C)nnc1CN1CCC2(CCCCC2)CC1 ZINC000156220497 521622975 /nfs/dbraw/zinc/62/29/75/521622975.db2.gz JOLDLJREQHUEGQ-UHFFFAOYSA-N 0 1 290.455 3.543 20 0 CHADMN CCC[N@@H+](CCC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000236973158 521630469 /nfs/dbraw/zinc/63/04/69/521630469.db2.gz FNGPACBTUMHXKK-GFCCVEGCSA-N 0 1 275.348 3.681 20 0 CHADMN CCC[N@@H+](CCCCC(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000262261577 521652415 /nfs/dbraw/zinc/65/24/15/521652415.db2.gz RELXMCBNLTYDBN-MRXNPFEDSA-N 0 1 275.392 3.641 20 0 CHADMN CCC(O)(CC)CCN[C@@H](c1ccccc1)c1ccccn1 ZINC000276660585 521652638 /nfs/dbraw/zinc/65/26/38/521652638.db2.gz NQHYMSBPIMDKLU-SFHVURJKSA-N 0 1 298.430 3.702 20 0 CHADMN CCC(O)(CC)CNCc1csc(-c2ccsc2)n1 ZINC000063917916 521655879 /nfs/dbraw/zinc/65/58/79/521655879.db2.gz YUPWKTKMNXXEIK-UHFFFAOYSA-N 0 1 296.461 3.512 20 0 CHADMN CCC1(C)CCN(Cc2cn3c(cccc3C)n2)CC1 ZINC000337682638 521678630 /nfs/dbraw/zinc/67/86/30/521678630.db2.gz INWFVBPRPLSCPE-UHFFFAOYSA-N 0 1 271.408 3.655 20 0 CHADMN CCSCCN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000280225592 521709026 /nfs/dbraw/zinc/70/90/26/521709026.db2.gz VVXGJLCCPVNCJG-QGZVFWFLSA-N 0 1 286.444 3.822 20 0 CHADMN CN(C)Cc1ccc(NCc2ccco2)cc1Cl ZINC000280368772 521909167 /nfs/dbraw/zinc/90/91/67/521909167.db2.gz VCABNXVWORXDKI-UHFFFAOYSA-N 0 1 264.756 3.607 20 0 CHADMN CC[C@H](C)[C@H](C)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000128329894 521941328 /nfs/dbraw/zinc/94/13/28/521941328.db2.gz CHQIMZVXBALPCF-XEZPLFJOSA-N 0 1 289.398 3.673 20 0 CHADMN CC[C@H](C)c1nc([C@@H](C)NCc2ccc(C)cc2C)n[nH]1 ZINC000277413730 522053155 /nfs/dbraw/zinc/05/31/55/522053155.db2.gz LVJRRKIQADACHK-GXTWGEPZSA-N 0 1 286.423 3.786 20 0 CHADMN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2ccccc2)n[nH]1 ZINC000277371957 522056244 /nfs/dbraw/zinc/05/62/44/522056244.db2.gz WZEVKSXMGCPJFB-AVGNSLFASA-N 0 1 272.396 3.730 20 0 CHADMN Cc1nc([C@H]2CCCN2C[C@H]2CCC(C)(C)O2)cs1 ZINC000334591626 534610054 /nfs/dbraw/zinc/61/00/54/534610054.db2.gz ZLJJZHPTGKBAFM-TZMCWYRMSA-N 0 1 280.437 3.546 20 0 CHADMN CN(C)[C@H](CNc1ccc(F)cn1)c1ccccc1Cl ZINC000339970072 522088215 /nfs/dbraw/zinc/08/82/15/522088215.db2.gz YGWQQNDHENOANU-CQSZACIVSA-N 0 1 293.773 3.589 20 0 CHADMN CCc1nc(CNC2(Cc3ccccc3)CC2)cs1 ZINC000274804278 522339662 /nfs/dbraw/zinc/33/96/62/522339662.db2.gz PAYQAHZHNGYMDS-UHFFFAOYSA-N 0 1 272.417 3.570 20 0 CHADMN COC[C@@H](NCc1ccc(C)nc1)c1cccc(Cl)c1 ZINC000288592760 522360074 /nfs/dbraw/zinc/36/00/74/522360074.db2.gz OSXAUIMSKWYVFQ-MRXNPFEDSA-N 0 1 290.794 3.521 20 0 CHADMN COC(=O)c1coc([C@@H](C)N[C@H](C)c2ccccc2C)c1 ZINC000278178452 522375153 /nfs/dbraw/zinc/37/51/53/522375153.db2.gz DBZSEQLUSZTZKO-CHWSQXEVSA-N 0 1 287.359 3.786 20 0 CHADMN COC[C@@H](N[C@@H](C)c1ccncc1)c1cccc(Cl)c1 ZINC000290508393 522375387 /nfs/dbraw/zinc/37/53/87/522375387.db2.gz YLXMHXOGGPLCHF-BLLLJJGKSA-N 0 1 290.794 3.773 20 0 CHADMN COC(=O)c1coc([C@@H](C)N[C@@H](c2ccccc2)C2CC2)c1 ZINC000278336827 522376115 /nfs/dbraw/zinc/37/61/15/522376115.db2.gz XCNHYLQTXYYCMC-PXAZEXFGSA-N 0 1 299.370 3.868 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2cc3ccccc3o2)n[nH]1 ZINC000277148147 522437779 /nfs/dbraw/zinc/43/77/79/522437779.db2.gz FMRXWCZKWKPMFS-VXGBXAGGSA-N 0 1 298.390 3.915 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2cccc3cc[nH]c32)n[nH]1 ZINC000277471913 522438147 /nfs/dbraw/zinc/43/81/47/522438147.db2.gz RNJLSXYJEVEVMM-VXGBXAGGSA-N 0 1 297.406 3.650 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccc(F)c(C)c2)n[nH]1 ZINC000277452579 522438298 /nfs/dbraw/zinc/43/82/98/522438298.db2.gz PMRVOIBTFHKWHZ-ZYHUDNBSSA-N 0 1 290.386 3.617 20 0 CHADMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccc(C)c(F)c2)n[nH]1 ZINC000277163705 522438650 /nfs/dbraw/zinc/43/86/50/522438650.db2.gz HACLQDBCTHLLQO-ZYHUDNBSSA-N 0 1 290.386 3.617 20 0 CHADMN CC[C@@H](C)c1nc([C@H](C)NCc2cccc3cc[nH]c32)n[nH]1 ZINC000277471893 522441971 /nfs/dbraw/zinc/44/19/71/522441971.db2.gz RNJLSXYJEVEVMM-NEPJUHHUSA-N 0 1 297.406 3.650 20 0 CHADMN CCc1nc([C@H](C)N[C@@H]2C[C@H](C(C)C)c3ccccc32)n[nH]1 ZINC000278858218 522454438 /nfs/dbraw/zinc/45/44/38/522454438.db2.gz WEBITNNJFJXMPM-APHBMKBZSA-N 0 1 298.434 3.902 20 0 CHADMN CC[C@@H](CN[C@@H](C)c1cc(C)on1)Oc1cccc(C)c1 ZINC000290791340 522550479 /nfs/dbraw/zinc/55/04/79/522550479.db2.gz UQFXWLNOLRSLEL-GJZGRUSLSA-N 0 1 288.391 3.800 20 0 CHADMN CCc1ncc(CN[C@H](C)c2cccc(OC)c2)s1 ZINC000037924701 522556656 /nfs/dbraw/zinc/55/66/56/522556656.db2.gz MZKZKRBULDRXTN-LLVKDONJSA-N 0 1 276.405 3.565 20 0 CHADMN CC[C@H](N[C@@H](CO)c1ccc(F)cc1)c1cccc(F)c1 ZINC000275922603 522706789 /nfs/dbraw/zinc/70/67/89/522706789.db2.gz WDTFKMDXIIJGPF-IRXDYDNUSA-N 0 1 291.341 3.739 20 0 CHADMN CC[C@H](N[C@H](C)c1nccn1CC)c1ccc(OC)cc1 ZINC000296048574 522744626 /nfs/dbraw/zinc/74/46/26/522744626.db2.gz RANSJAVVYABCTM-CJNGLKHVSA-N 0 1 287.407 3.714 20 0 CHADMN COC[C@H](N[C@@H](C)c1cccnc1)c1cccc(Cl)c1 ZINC000290504823 522760966 /nfs/dbraw/zinc/76/09/66/522760966.db2.gz YHPQKATWFIDIOV-LRDDRELGSA-N 0 1 290.794 3.773 20 0 CHADMN CCc1nnc([C@H](C)N2CCCC3(CCCCC3)C2)o1 ZINC000111323721 522792299 /nfs/dbraw/zinc/79/22/99/522792299.db2.gz QZZMZJPWGWTOTP-ZDUSSCGKSA-N 0 1 277.412 3.739 20 0 CHADMN Cc1nc2ccc(NC(=O)CCCC(F)(F)F)cc2[nH]1 ZINC000355945240 534658553 /nfs/dbraw/zinc/65/85/53/534658553.db2.gz OIDGLIPZIOANQY-UHFFFAOYSA-N 0 1 285.269 3.542 20 0 CHADMN CC[C@@H](NCCF)c1cc(F)cc(Br)c1 ZINC000309097620 522835160 /nfs/dbraw/zinc/83/51/60/522835160.db2.gz FMBVKYXKWOBXCP-LLVKDONJSA-N 0 1 278.140 3.598 20 0 CHADMN CC[C@@H](NCc1ccn(C(C)C)n1)c1ccccc1 ZINC000085161456 522885862 /nfs/dbraw/zinc/88/58/62/522885862.db2.gz BNLGQPDENOHXCI-MRXNPFEDSA-N 0 1 257.381 3.705 20 0 CHADMN CC[C@@H](NCc1ncccc1N(C)C)c1ccc(C)cc1 ZINC000289922799 522894802 /nfs/dbraw/zinc/89/48/02/522894802.db2.gz VAQPLJPSCSQBDO-MRXNPFEDSA-N 0 1 283.419 3.697 20 0 CHADMN CC[C@@H](N[C@@H](C)c1ccnn1C)c1ccc(Cl)s1 ZINC000278886175 522913580 /nfs/dbraw/zinc/91/35/80/522913580.db2.gz YEFKYFUYGSBVCZ-VHSXEESVSA-N 0 1 283.828 3.937 20 0 CHADMN CCc1nocc1CN(C)CCSCc1ccccc1 ZINC000293482847 522929569 /nfs/dbraw/zinc/92/95/69/522929569.db2.gz SAHUPFJAKIHKMM-UHFFFAOYSA-N 0 1 290.432 3.602 20 0 CHADMN CC[C@H](c1ccccc1)N(Cc1nnc(C)o1)CC(C)C ZINC000264759560 522943289 /nfs/dbraw/zinc/94/32/89/522943289.db2.gz XMIZXAPUDJDNQM-MRXNPFEDSA-N 0 1 287.407 3.987 20 0 CHADMN CC[C@H](c1ccncc1)N(C)Cc1cc(O)cc(F)c1 ZINC000290347342 522966575 /nfs/dbraw/zinc/96/65/75/522966575.db2.gz FWHWBVZJQGWHPM-MRXNPFEDSA-N 0 1 274.339 3.509 20 0 CHADMN COCc1ccc(CNCc2ccc(C3CCC3)cc2)o1 ZINC000276866779 522986979 /nfs/dbraw/zinc/98/69/79/522986979.db2.gz CBVUXKGDSQHENM-UHFFFAOYSA-N 0 1 285.387 3.983 20 0 CHADMN COCc1ccc([C@@H]2CCCN2Cc2cccc(F)c2)o1 ZINC000130844551 523016382 /nfs/dbraw/zinc/01/63/82/523016382.db2.gz QJMKSNSLEABVOU-INIZCTEOSA-N 0 1 289.350 3.902 20 0 CHADMN COCc1cccc(CNCc2cc(F)c(F)c(F)c2)c1 ZINC000062708150 523054016 /nfs/dbraw/zinc/05/40/16/523054016.db2.gz VEZGMYGLFPCWIF-UHFFFAOYSA-N 0 1 295.304 3.540 20 0 CHADMN COCc1ccccc1CN[C@@H](C)c1ccc(Cl)cn1 ZINC000274897018 523105225 /nfs/dbraw/zinc/10/52/25/523105225.db2.gz KLOYAPGIDJJMNR-LBPRGKRZSA-N 0 1 290.794 3.732 20 0 CHADMN COCCCCCN(C)Cc1nc2ccccc2s1 ZINC000103226074 523105933 /nfs/dbraw/zinc/10/59/33/523105933.db2.gz AGZMSOPLGWLJCC-UHFFFAOYSA-N 0 1 278.421 3.545 20 0 CHADMN CN(Cc1ccc(Cl)s1)C[C@H]1CCC=CO1 ZINC000278291915 523236992 /nfs/dbraw/zinc/23/69/92/523236992.db2.gz UZFLZPNAWWNJSP-SNVBAGLBSA-N 0 1 257.786 3.526 20 0 CHADMN COc1ccc(-c2nc(CN(C)CC3CCC3)co2)cc1 ZINC000111297039 523199826 /nfs/dbraw/zinc/19/98/26/523199826.db2.gz HELQMANPWNYSOO-UHFFFAOYSA-N 0 1 286.375 3.582 20 0 CHADMN CN(Cc1ccc(C(F)F)cc1)Cc1ccccn1 ZINC000279834386 523217688 /nfs/dbraw/zinc/21/76/88/523217688.db2.gz HBINGVUZYFFWJK-UHFFFAOYSA-N 0 1 262.303 3.651 20 0 CHADMN CC[C@@H]1CCCN1Cc1cc(Br)ccc1OC ZINC000049595378 523269099 /nfs/dbraw/zinc/26/90/99/523269099.db2.gz LWODSKLUEFNVIH-CYBMUJFWSA-N 0 1 298.224 3.832 20 0 CHADMN CCn1cc(CN(C)[C@H](C)c2ccc(Cl)cc2)cn1 ZINC000072983074 523366931 /nfs/dbraw/zinc/36/69/31/523366931.db2.gz XQJSPLFZPADTGT-GFCCVEGCSA-N 0 1 277.799 3.749 20 0 CHADMN CO[C@@H](C)[C@@H](C)NCc1cc(Cl)sc1Cl ZINC000308921091 523431430 /nfs/dbraw/zinc/43/14/30/523431430.db2.gz HBFHEFBQUMSLMT-RQJHMYQMSA-N 0 1 268.209 3.568 20 0 CHADMN CCn1cc([C@@H](C)NCc2ccc(F)c(Cl)c2)cn1 ZINC000053149605 523459007 /nfs/dbraw/zinc/45/90/07/523459007.db2.gz ZGJUXBPSJZVMOZ-SNVBAGLBSA-N 0 1 281.762 3.546 20 0 CHADMN CN(Cc1ccncc1)Cc1ccc(C(F)(F)F)cc1 ZINC000248119898 523460936 /nfs/dbraw/zinc/46/09/36/523460936.db2.gz MSEIRXLEHIPOQZ-UHFFFAOYSA-N 0 1 280.293 3.732 20 0 CHADMN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NCc1conc1C ZINC000339270841 523546613 /nfs/dbraw/zinc/54/66/13/523546613.db2.gz JYSVGWKZHKPDBU-XHDPSFHLSA-N 0 1 294.782 3.502 20 0 CHADMN CN(Cc1ncc(C(C)(C)C)o1)C1Cc2ccccc2C1 ZINC000299133990 523575601 /nfs/dbraw/zinc/57/56/01/523575601.db2.gz NWMLZWPZZVPTSR-UHFFFAOYSA-N 0 1 284.403 3.571 20 0 CHADMN CN(Cc1ncc(C2CC2)o1)C1CCC(C)(C)CC1 ZINC000340695621 523575764 /nfs/dbraw/zinc/57/57/64/523575764.db2.gz JNRRNXYFYSQERB-UHFFFAOYSA-N 0 1 262.397 3.953 20 0 CHADMN Cc1ncc(CN[C@@H]2CCCc3c(C)ccc(C)c32)o1 ZINC000335281403 534742994 /nfs/dbraw/zinc/74/29/94/534742994.db2.gz SJPDEACFOGRPKH-MRXNPFEDSA-N 0 1 270.376 3.767 20 0 CHADMN CC[C@H](C)N(Cc1n[nH]cc1C)Cc1ccccc1 ZINC000290351235 523944653 /nfs/dbraw/zinc/94/46/53/523944653.db2.gz FPGVEXHEZVXRRX-AWEZNQCLSA-N 0 1 257.381 3.519 20 0 CHADMN COc1ccc(CN(C)[C@H](C)c2cccc(F)c2)cc1O ZINC000080964253 524009588 /nfs/dbraw/zinc/00/95/88/524009588.db2.gz YWSXHXYHLHGYPZ-GFCCVEGCSA-N 0 1 289.350 3.733 20 0 CHADMN COCCO[C@H]1CCCN([C@H](C)c2ccc(Cl)cc2)C1 ZINC000340803821 524036260 /nfs/dbraw/zinc/03/62/60/524036260.db2.gz TZPWOYFRZPPTHL-CJNGLKHVSA-N 0 1 297.826 3.528 20 0 CHADMN CCc1ccc([C@H](CC)NCc2cc(C)no2)cc1 ZINC000044986327 524048197 /nfs/dbraw/zinc/04/81/97/524048197.db2.gz HABWTJZVBWLNGI-INIZCTEOSA-N 0 1 258.365 3.786 20 0 CHADMN CCc1ccc([C@H](C)c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000339389058 524048383 /nfs/dbraw/zinc/04/83/83/524048383.db2.gz MDUVONMTERZKHY-WFASDCNBSA-N 0 1 287.407 3.830 20 0 CHADMN COc1cccc([C@H](C)NCc2cc(F)c(F)c(F)c2)c1 ZINC000062707935 524154883 /nfs/dbraw/zinc/15/48/83/524154883.db2.gz ZYFHMNQBSJKQSY-JTQLQIEISA-N 0 1 295.304 3.963 20 0 CHADMN COc1cccc([C@H](C)NCc2ccccc2F)c1 ZINC000019950081 524155201 /nfs/dbraw/zinc/15/52/01/524155201.db2.gz GOZLCNWCEBXLMR-LBPRGKRZSA-N 0 1 259.324 3.685 20 0 CHADMN C[C@H]1CCN(Cc2ccccn2)[C@H](c2ccco2)C1 ZINC000076184234 524298877 /nfs/dbraw/zinc/29/88/77/524298877.db2.gz BXMPQRZSWPUYID-ZFWWWQNUSA-N 0 1 256.349 3.648 20 0 CHADMN C[C@H](CN(C)Cc1ncc(C2CC2)o1)c1ccccc1 ZINC000340816889 524298960 /nfs/dbraw/zinc/29/89/60/524298960.db2.gz KUPYJTNDUUXLMB-CYBMUJFWSA-N 0 1 270.376 3.788 20 0 CHADMN Cc1cc(C)cc(C2(c3nc([C@@H](N)CC(C)C)no3)CC2)c1 ZINC000339397213 524371056 /nfs/dbraw/zinc/37/10/56/524371056.db2.gz QYMNMHXRKNSQFZ-HNNXBMFYSA-N 0 1 299.418 3.812 20 0 CHADMN Cc1ccc(CN(C)CCO[C@H]2CCCC[C@@H]2C)o1 ZINC000338404465 524391371 /nfs/dbraw/zinc/39/13/71/524391371.db2.gz BZOZSRXBBZQOBW-BBRMVZONSA-N 0 1 265.397 3.615 20 0 CHADMN C[C@H]1CC[C@H](N[C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000275891593 524423621 /nfs/dbraw/zinc/42/36/21/524423621.db2.gz QUIGMTZSYLJIHR-DAXOMENPSA-N 0 1 287.382 3.807 20 0 CHADMN Cc1cc(C)cc([C@H](C)NCc2n[nH]c(C(C)(C)C)n2)c1 ZINC000292974045 524469721 /nfs/dbraw/zinc/46/97/21/524469721.db2.gz QHZGCYDINWHDCA-ZDUSSCGKSA-N 0 1 286.423 3.570 20 0 CHADMN COc1ccccc1CNCc1cnc(C(C)(C)C)s1 ZINC000059180681 524488373 /nfs/dbraw/zinc/48/83/73/524488373.db2.gz YWCCEEYHHVGPOV-UHFFFAOYSA-N 0 1 290.432 3.739 20 0 CHADMN C[C@@H]1CCN(Cc2cccnc2)[C@H](c2ccco2)C1 ZINC000076184160 524512864 /nfs/dbraw/zinc/51/28/64/524512864.db2.gz AVWIKGWONGZZDQ-HIFRSBDPSA-N 0 1 256.349 3.648 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000042707130 524572477 /nfs/dbraw/zinc/57/24/77/524572477.db2.gz YIYQLTFPUKNPRR-AWEZNQCLSA-N 0 1 283.371 3.506 20 0 CHADMN C[C@@H](C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000086725381 524574562 /nfs/dbraw/zinc/57/45/62/524574562.db2.gz FEXKCTFQWDWQFB-AWEZNQCLSA-N 0 1 283.371 3.620 20 0 CHADMN Cc1ccc(CNCc2cccc(C(F)(F)F)n2)cc1 ZINC000294803828 524585831 /nfs/dbraw/zinc/58/58/31/524585831.db2.gz NDHTVYQEUAUZGT-UHFFFAOYSA-N 0 1 280.293 3.699 20 0 CHADMN Cc1ccc(CN[C@H]2CCSc3ccc(F)cc32)nc1 ZINC000161728917 524610731 /nfs/dbraw/zinc/61/07/31/524610731.db2.gz OEALAEGFOHCQNJ-HNNXBMFYSA-N 0 1 288.391 3.856 20 0 CHADMN Cc1cccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000336961726 524649482 /nfs/dbraw/zinc/64/94/82/524649482.db2.gz DHFYPQKCTYTYBL-SFHVURJKSA-N 0 1 294.398 3.598 20 0 CHADMN Cc1ccc(C[C@H](C)N(C)Cc2ncc(C3CC3)o2)cc1 ZINC000340841869 524677036 /nfs/dbraw/zinc/67/70/36/524677036.db2.gz QIYFBTSFANYVBW-AWEZNQCLSA-N 0 1 284.403 3.923 20 0 CHADMN Cc1cccc(NCCc2coc(-c3ccc(F)cc3)n2)n1 ZINC000157350203 524677183 /nfs/dbraw/zinc/67/71/83/524677183.db2.gz QVMXFHYQUPHDDQ-UHFFFAOYSA-N 0 1 297.333 3.839 20 0 CHADMN Cc1cc(CN2CC[C@H](C)[C@H]2c2cccc(F)c2)ncn1 ZINC000292365686 524706847 /nfs/dbraw/zinc/70/68/47/524706847.db2.gz GCPLGFAYWUMODC-SJCJKPOMSA-N 0 1 285.366 3.507 20 0 CHADMN Cc1cccc(O[C@@H](C)c2nc([C@@H](N)CC(C)C)no2)c1 ZINC000339359006 524775872 /nfs/dbraw/zinc/77/58/72/524775872.db2.gz GJHBXRBRGGDABF-JSGCOSHPSA-N 0 1 289.379 3.564 20 0 CHADMN COc1ccccc1[C@H](C)NCc1cn(C(C)C)nc1C ZINC000281234813 524780682 /nfs/dbraw/zinc/78/06/82/524780682.db2.gz FASWOYFSHFOOTC-AWEZNQCLSA-N 0 1 287.407 3.632 20 0 CHADMN C[C@H](N(C)Cc1cnc(Br)s1)C1(C)CC1 ZINC000289512501 524814907 /nfs/dbraw/zinc/81/49/07/524814907.db2.gz FMQHOENBBRFFHT-QMMMGPOBSA-N 0 1 289.242 3.526 20 0 CHADMN Cc1cc(Cc2nc(C(C)(C)C3CCCCC3)no2)[nH]n1 ZINC000278042255 524842486 /nfs/dbraw/zinc/84/24/86/524842486.db2.gz TZDODIUFQWURPR-UHFFFAOYSA-N 0 1 288.395 3.550 20 0 CHADMN Cc1cccc([C@@H]2CCCN2CC(=O)Nc2ccccc2)c1 ZINC000055911251 524851639 /nfs/dbraw/zinc/85/16/39/524851639.db2.gz ZUSYONJFMOHJII-SFHVURJKSA-N 0 1 294.398 3.771 20 0 CHADMN COc1ccncc1CNCc1c(C)cc(Cl)cc1C ZINC000353611012 524857773 /nfs/dbraw/zinc/85/77/73/524857773.db2.gz YZUNDESCJYFITE-UHFFFAOYSA-N 0 1 290.794 3.650 20 0 CHADMN COc1ccncc1CN[C@@H]1CC[C@H](C)c2ccccc21 ZINC000340408795 524858277 /nfs/dbraw/zinc/85/82/77/524858277.db2.gz QRGHNSLPFMYIOP-SUMWQHHRSA-N 0 1 282.387 3.818 20 0 CHADMN COc1ccncc1CN[C@H]1CCCc2c(C)ccc(C)c21 ZINC000340408178 524862407 /nfs/dbraw/zinc/86/24/07/524862407.db2.gz NDMPHVUGCAWANN-KRWDZBQOSA-N 0 1 296.414 3.874 20 0 CHADMN COc1ccncc1CN[C@H]1CCc2ccc(Cl)cc21 ZINC000340401597 524862766 /nfs/dbraw/zinc/86/27/66/524862766.db2.gz WQBFVACVCUYULJ-HNNXBMFYSA-N 0 1 288.778 3.521 20 0 CHADMN COc1cncc(CN[C@@H](C)c2cccc(Cl)c2)c1 ZINC000289941527 524923057 /nfs/dbraw/zinc/92/30/57/524923057.db2.gz OVHIGGBWXWVXNJ-NSHDSACASA-N 0 1 276.767 3.594 20 0 CHADMN Cc1cccc2c1[C@@H](C)C[C@H]2NCc1ncccc1N(C)C ZINC000289556043 524961802 /nfs/dbraw/zinc/96/18/02/524961802.db2.gz AADBBXMSGAWBDE-GOEBONIOSA-N 0 1 295.430 3.794 20 0 CHADMN Cc1cc(F)ccc1CN[C@@H]1CCOc2ccccc21 ZINC000050575777 524977288 /nfs/dbraw/zinc/97/72/88/524977288.db2.gz WGDGUPVPUWIBBP-MRXNPFEDSA-N 0 1 271.335 3.748 20 0 CHADMN C[C@@H]1CN(Cc2cccc(C(F)F)c2)CCS1 ZINC000279710859 525000646 /nfs/dbraw/zinc/00/06/46/525000646.db2.gz KYVDIMZPPAXFSR-SNVBAGLBSA-N 0 1 257.349 3.562 20 0 CHADMN COc1ncc(CN(C)[C@@H](C)c2ccc(C)cc2C)c(C)n1 ZINC000337137566 525002800 /nfs/dbraw/zinc/00/28/00/525002800.db2.gz OFXSELRDKPEUDS-HNNXBMFYSA-N 0 1 299.418 3.603 20 0 CHADMN Cc1cc(N(C)Cc2ccncc2)c2cc(F)ccc2n1 ZINC000120856335 525029050 /nfs/dbraw/zinc/02/90/50/525029050.db2.gz TVLRRZKMKKKKLT-UHFFFAOYSA-N 0 1 281.334 3.714 20 0 CHADMN Cc1ccccc1/C=C\c1nc([C@@H](N)CC(C)C)no1 ZINC000339394903 525039248 /nfs/dbraw/zinc/03/92/48/525039248.db2.gz QXTJVCSSUHEKIC-CKXPSTMWSA-N 0 1 271.364 3.594 20 0 CHADMN COc1ncccc1CN[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000151170248 525061875 /nfs/dbraw/zinc/06/18/75/525061875.db2.gz RCFUGDFWNBAWGQ-CYBMUJFWSA-N 0 1 288.366 3.697 20 0 CHADMN COc1ncccc1CN[C@H]1CC[C@H](C)c2ccccc21 ZINC000126528145 525062509 /nfs/dbraw/zinc/06/25/09/525062509.db2.gz SEYAVDAABRFEBU-GUYCJALGSA-N 0 1 282.387 3.818 20 0 CHADMN COc1ncccc1CN[C@@H]1CC[C@H](C)c2ccccc21 ZINC000126528643 525063341 /nfs/dbraw/zinc/06/33/41/525063341.db2.gz SEYAVDAABRFEBU-SUMWQHHRSA-N 0 1 282.387 3.818 20 0 CHADMN COc1ncccc1CN[C@H](C)c1ccc(C)cc1C ZINC000037650471 525063375 /nfs/dbraw/zinc/06/33/75/525063375.db2.gz KCBXKQBNLNLYOQ-CQSZACIVSA-N 0 1 270.376 3.558 20 0 CHADMN COc1ccc([C@@H](C)NCc2cccc(F)c2)c(F)c1 ZINC000037246877 525156039 /nfs/dbraw/zinc/15/60/39/525156039.db2.gz ZPLQFOYIGNVCRL-LLVKDONJSA-N 0 1 277.314 3.824 20 0 CHADMN COc1ccc([C@@H](NCc2ccn(C(C)C)n2)C2CC2)cc1 ZINC000265341145 525202144 /nfs/dbraw/zinc/20/21/44/525202144.db2.gz PURPBIPKLIHMNX-SFHVURJKSA-N 0 1 299.418 3.714 20 0 CHADMN C[C@]1(CNCc2ncc(C(F)(F)F)s2)CCCS1 ZINC000278546856 525268158 /nfs/dbraw/zinc/26/81/58/525268158.db2.gz AYDNWNALTYNSFJ-SNVBAGLBSA-N 0 1 296.383 3.537 20 0 CHADMN Cc1cc(N[C@@H](C)[C@@H]2CCOC2)c2cc(F)ccc2n1 ZINC000278657808 525289581 /nfs/dbraw/zinc/28/95/81/525289581.db2.gz FBIGIZPHPPGGDH-NWDGAFQWSA-N 0 1 274.339 3.519 20 0 CHADMN Cc1cc(N[C@@H](c2cccs2)c2nnc[nH]2)ccc1F ZINC000340336275 525295636 /nfs/dbraw/zinc/29/56/36/525295636.db2.gz NDTLXKBEZJRMAN-ZDUSSCGKSA-N 0 1 288.351 3.515 20 0 CHADMN Cc1cc(N[C@H](C)[C@@H]2CCOC2)c2cc(F)ccc2n1 ZINC000278657816 525301046 /nfs/dbraw/zinc/30/10/46/525301046.db2.gz FBIGIZPHPPGGDH-VXGBXAGGSA-N 0 1 274.339 3.519 20 0 CHADMN CSC1(CNCc2ncc(-c3ccccc3)cn2)CCC1 ZINC000290958917 525334423 /nfs/dbraw/zinc/33/44/23/525334423.db2.gz VZMGCTUBVBSWLP-UHFFFAOYSA-N 0 1 299.443 3.519 20 0 CHADMN Cc1ccccc1[C@@H](C)N1CCO[C@H](c2ccco2)C1 ZINC000151731901 525350307 /nfs/dbraw/zinc/35/03/07/525350307.db2.gz QKIRWZKOZYBQMN-PBHICJAKSA-N 0 1 271.360 3.723 20 0 CHADMN Cc1ccccc1[C@H](C)Cc1nc([C@H](N)CC(C)C)no1 ZINC000339395128 525405197 /nfs/dbraw/zinc/40/51/97/525405197.db2.gz KLNUDCCTVBTYSU-UKRRQHHQSA-N 0 1 287.407 3.770 20 0 CHADMN Cc1ccccc1[C@H]1CN(CCCCCF)CCO1 ZINC000367446823 525444737 /nfs/dbraw/zinc/44/47/37/525444737.db2.gz HBPKWUIMWZFFBL-MRXNPFEDSA-N 0 1 265.372 3.508 20 0 CHADMN Cc1cc([C@@H](C)N[C@@H](C)CCOCc2ccccc2)no1 ZINC000290572973 525471815 /nfs/dbraw/zinc/47/18/15/525471815.db2.gz FJKWKEKAOMBDNB-DZGCQCFKSA-N 0 1 288.391 3.629 20 0 CHADMN COc1ccc2c(c1)C1(CC1)CN([C@H](C)c1cccnc1)C2 ZINC000289424285 525508484 /nfs/dbraw/zinc/50/84/84/525508484.db2.gz CHRUGJGYFFNIJH-CQSZACIVSA-N 0 1 294.398 3.699 20 0 CHADMN C[C@@H]1C[C@H]1c1ccc(CNCc2cccc(F)c2)o1 ZINC000020473442 525509737 /nfs/dbraw/zinc/50/97/37/525509737.db2.gz JCGQOUGIAHRYJJ-IAQYHMDHSA-N 0 1 259.324 3.832 20 0 CHADMN Cc1cc([C@H](C)NC[C@@H](Nc2ccccc2)C(C)C)no1 ZINC000289856692 525517009 /nfs/dbraw/zinc/51/70/09/525517009.db2.gz RLJGKLPLVTUDBR-WMLDXEAASA-N 0 1 287.407 3.770 20 0 CHADMN CSCC[C@@H](C)N(C)Cc1csc(-c2ccoc2)n1 ZINC000126308937 525526432 /nfs/dbraw/zinc/52/64/32/525526432.db2.gz XGZZDIPYEAAZEF-LLVKDONJSA-N 0 1 296.461 3.977 20 0 CHADMN C[C@@H](NCc1ccc2c(n1)CCCC2)c1cccc(F)c1 ZINC000277626025 525531388 /nfs/dbraw/zinc/53/13/88/525531388.db2.gz OSDWAEUJXPIXQW-CYBMUJFWSA-N 0 1 284.378 3.950 20 0 CHADMN C[C@@H](NCc1ccsc1)c1ccc(Br)cn1 ZINC000279918123 525545443 /nfs/dbraw/zinc/54/54/43/525545443.db2.gz XFCPCADVTAMFME-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN Cc1cccnc1[C@@H](NCc1ccnn1C(C)C)C(C)C ZINC000280914707 525548936 /nfs/dbraw/zinc/54/89/36/525548936.db2.gz PJKQALVXARVFSD-INIZCTEOSA-N 0 1 286.423 3.654 20 0 CHADMN C[C@@H](NCc1cncc(F)c1)c1ccc(OC(F)F)cc1 ZINC000275130273 525552055 /nfs/dbraw/zinc/55/20/55/525552055.db2.gz BTFKMPRVONRWRR-SNVBAGLBSA-N 0 1 296.292 3.673 20 0 CHADMN C[C@@H](NCc1cncs1)c1ccc(Br)cc1 ZINC000054788354 525553140 /nfs/dbraw/zinc/55/31/40/525553140.db2.gz DYAOTDLPKRDVHR-SECBINFHSA-N 0 1 297.221 3.756 20 0 CHADMN CSCC[C@H](C)N(C)Cc1cc(-c2ccco2)on1 ZINC000126394392 525565354 /nfs/dbraw/zinc/56/53/54/525565354.db2.gz BUJYVBRINNYFBG-NSHDSACASA-N 0 1 280.393 3.508 20 0 CHADMN C[C@H](N[C@@H]1CC[C@@H](C)C1)c1nc(-c2cccc(F)c2)no1 ZINC000275530587 525580042 /nfs/dbraw/zinc/58/00/42/525580042.db2.gz BPPSKUZAYLWBFC-UHIISALHSA-N 0 1 289.354 3.715 20 0 CHADMN Cc1cc2[nH]ncc2cc1NC(=O)C=C(C1CC1)C1CC1 ZINC000276663290 525584344 /nfs/dbraw/zinc/58/43/44/525584344.db2.gz GBSKCUMOEQAJKO-UHFFFAOYSA-N 0 1 281.359 3.556 20 0 CHADMN C[C@@H](N[C@@H](C)c1cc(F)cc(F)c1)c1cccnc1 ZINC000094826218 525604545 /nfs/dbraw/zinc/60/45/45/525604545.db2.gz CQPOLAVPGJAJJV-MNOVXSKESA-N 0 1 262.303 3.772 20 0 CHADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1cncs1 ZINC000054771047 525628670 /nfs/dbraw/zinc/62/86/70/525628670.db2.gz GEIAFPXMYTYISQ-CYBMUJFWSA-N 0 1 276.405 3.848 20 0 CHADMN Cc1cc2c[nH]nc2c(C(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000338640245 525630935 /nfs/dbraw/zinc/63/09/35/525630935.db2.gz UFHOWTIJMJQBAJ-CYBMUJFWSA-N 0 1 293.370 3.705 20 0 CHADMN C[C@@H](N[C@@H]1CCC[C@H]1c1ccccc1)c1nc(C2CC2)no1 ZINC000277927755 525637694 /nfs/dbraw/zinc/63/76/94/525637694.db2.gz YMEWTXFVQQWOBO-UHOFOFEASA-N 0 1 297.402 3.934 20 0 CHADMN C[C@@H](N[C@H]1CC(C)(C)Oc2cc(F)ccc21)c1cn[nH]c1 ZINC000271431629 525671777 /nfs/dbraw/zinc/67/17/77/525671777.db2.gz DFMUSBHSOQGBAY-YGRLFVJLSA-N 0 1 289.354 3.502 20 0 CHADMN C[C@@H](N[C@H]1CCOC1)c1cc(F)c(Cl)cc1Cl ZINC000131336436 525683448 /nfs/dbraw/zinc/68/34/48/525683448.db2.gz BJBYXTQHVSEDLN-SFYZADRCSA-N 0 1 278.154 3.572 20 0 CHADMN C[C@@H](N[C@H]1CCc2c1cccc2O)c1ccc(Cl)cn1 ZINC000274871333 525690611 /nfs/dbraw/zinc/69/06/11/525690611.db2.gz FRQBECXRKRTTHA-BMIGLBTASA-N 0 1 288.778 3.779 20 0 CHADMN Cc1ccnc([C@H](C)NC2(c3ccccc3)CC2)c1 ZINC000285940283 525714175 /nfs/dbraw/zinc/71/41/75/525714175.db2.gz DITWXOKSOSACTA-AWEZNQCLSA-N 0 1 252.361 3.730 20 0 CHADMN CSCc1ccc(-c2nc([C@H](N)CC(C)C)no2)cc1 ZINC000339396914 525723705 /nfs/dbraw/zinc/72/37/05/525723705.db2.gz ZVMHFPABEDBNJL-CYBMUJFWSA-N 0 1 291.420 3.646 20 0 CHADMN Cc1ccc([C@@H](C)NCc2cc(C)nc(N3CCCC3)c2)o1 ZINC000289695969 525730529 /nfs/dbraw/zinc/73/05/29/525730529.db2.gz IJFNRKASLNDTGG-OAHLLOKOSA-N 0 1 299.418 3.742 20 0 CHADMN Cc1ccncc1CN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000353653080 525742185 /nfs/dbraw/zinc/74/21/85/525742185.db2.gz SETZGWBYTUXPBM-BBRMVZONSA-N 0 1 270.376 3.956 20 0 CHADMN CSCc1cnc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)s1 ZINC000353157773 525746705 /nfs/dbraw/zinc/74/67/05/525746705.db2.gz WLDFDJJOJGBXAG-UTUOFQBUSA-N 0 1 284.494 3.873 20 0 CHADMN Cc1ccncc1[C@H](C)NCc1ccc2c(n1)CCCC2 ZINC000278335775 525769040 /nfs/dbraw/zinc/76/90/40/525769040.db2.gz CDRVJMTZUZIKFW-AWEZNQCLSA-N 0 1 281.403 3.515 20 0 CHADMN Cc1ccc([C@@H](N[C@@H]2CCSC2)c2ccccn2)cc1 ZINC000279681805 525774538 /nfs/dbraw/zinc/77/45/38/525774538.db2.gz OUOOVLIDEZKXBX-NVXWUHKLSA-N 0 1 284.428 3.575 20 0 CHADMN C[C@@H](O)CN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000248646922 525789404 /nfs/dbraw/zinc/78/94/04/525789404.db2.gz HZLLBFYWZSWODJ-RNCFNFMXSA-N 0 1 274.191 3.511 20 0 CHADMN C[C@@H](O)CN1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000339198336 525789490 /nfs/dbraw/zinc/78/94/90/525789490.db2.gz HLYWNTMNFGUZMG-SNVBAGLBSA-N 0 1 288.218 3.554 20 0 CHADMN Cc1ccsc1CNCc1ccc(Br)o1 ZINC000084148557 525859965 /nfs/dbraw/zinc/85/99/65/525859965.db2.gz LCNTXZWQCAXYIV-UHFFFAOYSA-N 0 1 286.194 3.702 20 0 CHADMN Cc1ccsc1CN[C@H](C)c1nc2ccccc2n1C ZINC000094875070 525861981 /nfs/dbraw/zinc/86/19/81/525861981.db2.gz RVAYAOQNRDIYOV-GFCCVEGCSA-N 0 1 285.416 3.794 20 0 CHADMN Cc1c([C@H](C)N[C@H]2CCc3c2cccc3O)cnn1C(C)C ZINC000276420311 525925233 /nfs/dbraw/zinc/92/52/33/525925233.db2.gz VQWGKUDNHSOROH-SJCJKPOMSA-N 0 1 299.418 3.816 20 0 CHADMN CSc1ccc(-c2nc([C@H](N)CC(C)C)no2)cc1 ZINC000339386873 525947943 /nfs/dbraw/zinc/94/79/43/525947943.db2.gz DFLWBHQQEKBRIG-GFCCVEGCSA-N 0 1 277.393 3.504 20 0 CHADMN Cc1ccc([C@H](NC[C@@H]2CC[C@@H](C)O2)c2ccccn2)cc1 ZINC000279982352 525969630 /nfs/dbraw/zinc/96/96/30/525969630.db2.gz IHQPAMBBEKZAPC-AYBZRNKSSA-N 0 1 296.414 3.637 20 0 CHADMN Cc1cnc(C2CCN(Cc3cnccc3C)CC2)s1 ZINC000277451329 525987992 /nfs/dbraw/zinc/98/79/92/525987992.db2.gz OHRXNPSSUOZAMU-UHFFFAOYSA-N 0 1 287.432 3.535 20 0 CHADMN Cc1cnc(CN(C)[C@H](c2ccccc2C)C(C)C)nc1 ZINC000340852330 526007719 /nfs/dbraw/zinc/00/77/19/526007719.db2.gz ZJRYHFWUXUZVPU-SFHVURJKSA-N 0 1 283.419 3.923 20 0 CHADMN Cc1cnc(CN(Cc2ccccc2)[C@H](C)C2CC2)o1 ZINC000075636854 526010460 /nfs/dbraw/zinc/01/04/60/526010460.db2.gz MMKRBTFAXMHYML-CQSZACIVSA-N 0 1 270.376 3.784 20 0 CHADMN Cc1cnc(CN2CC[C@@H](CSc3ccccc3)C2)o1 ZINC000075963900 526024462 /nfs/dbraw/zinc/02/44/62/526024462.db2.gz LFSBEJZFQPFSDR-CQSZACIVSA-N 0 1 288.416 3.597 20 0 CHADMN Cc1c[nH]nc1CNC1(c2ccc(Cl)cc2)CCC1 ZINC000290018951 526028946 /nfs/dbraw/zinc/02/89/46/526028946.db2.gz UYSXIECNUXDOMP-UHFFFAOYSA-N 0 1 275.783 3.541 20 0 CHADMN Cc1c[nH]nc1CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000289399358 526033346 /nfs/dbraw/zinc/03/33/46/526033346.db2.gz ABIULDYPBNPDOP-DRZCJDIDSA-N 0 1 289.810 3.858 20 0 CHADMN C[C@H](c1cc(Cl)ccc1Cl)N1CCC[C@@H](O)CC1 ZINC000293079812 526035969 /nfs/dbraw/zinc/03/59/69/526035969.db2.gz JOYNARMETVNUGQ-ZYHUDNBSSA-N 0 1 288.218 3.901 20 0 CHADMN COc1cccc(CN[C@H](C)c2ccc(Cl)cc2)n1 ZINC000070093435 526037473 /nfs/dbraw/zinc/03/74/73/526037473.db2.gz RASIBYVQPGDAOX-LLVKDONJSA-N 0 1 276.767 3.594 20 0 CHADMN Cc1cc(-c2nc([C@H](N)CC(C)C)no2)c(C)n1C(C)C ZINC000339389980 526054274 /nfs/dbraw/zinc/05/42/74/526054274.db2.gz GBGTYHFUGNKYRA-CQSZACIVSA-N 0 1 290.411 3.782 20 0 CHADMN Cc1cc(-c2nc([C@H](N)CC(C)C)no2)c(Cl)cc1F ZINC000339356333 526055316 /nfs/dbraw/zinc/05/53/16/526055316.db2.gz CSSIQZCNMFKGAF-GFCCVEGCSA-N 0 1 297.761 3.883 20 0 CHADMN C[C@@H](c1ccc(OC(F)F)cc1)N(C)Cc1ccccn1 ZINC000275782332 526059879 /nfs/dbraw/zinc/05/98/79/526059879.db2.gz ZVMWVVZCXGZLAI-LBPRGKRZSA-N 0 1 292.329 3.876 20 0 CHADMN CSc1ccc([C@@H](C)NCc2conc2C)cc1 ZINC000293344635 526060711 /nfs/dbraw/zinc/06/07/11/526060711.db2.gz SNTOTZROCKQGKZ-SNVBAGLBSA-N 0 1 262.378 3.556 20 0 CHADMN C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCCC(=O)[O-] ZINC000083662785 526068862 /nfs/dbraw/zinc/06/88/62/526068862.db2.gz BRWGUFLIHSOPDD-JTQLQIEISA-N 0 1 289.297 3.563 20 0 CHADMN C[C@@H](c1cccc(Cl)c1)N(C)Cc1cccnc1 ZINC000263722574 526070088 /nfs/dbraw/zinc/07/00/88/526070088.db2.gz FTVDLOOKEPYUAW-LBPRGKRZSA-N 0 1 260.768 3.928 20 0 CHADMN CSc1ccc([C@H](C)NCc2n[nH]c(C(C)C)n2)cc1 ZINC000293000341 526073268 /nfs/dbraw/zinc/07/32/68/526073268.db2.gz ZDGMHBFMNPXQKM-NSHDSACASA-N 0 1 290.436 3.501 20 0 CHADMN C[C@H](c1cccc(Cl)c1)N(C)Cc1ccccn1 ZINC000264311632 526077081 /nfs/dbraw/zinc/07/70/81/526077081.db2.gz YTDHJWOPTOSSOR-GFCCVEGCSA-N 0 1 260.768 3.928 20 0 CHADMN Cc1cnc([C@@H](C)N(C)CCCc2ccccc2)o1 ZINC000356956037 526111272 /nfs/dbraw/zinc/11/12/72/526111272.db2.gz IOQPENKBTNBMET-CQSZACIVSA-N 0 1 258.365 3.609 20 0 CHADMN C[C@H](c1ccccc1Cl)N(C)CC1=CCCOC1 ZINC000130856172 526112146 /nfs/dbraw/zinc/11/21/46/526112146.db2.gz IBULFJXASALDLY-GFCCVEGCSA-N 0 1 265.784 3.680 20 0 CHADMN C[C@H](c1nc(-c2ccn3cncc3c2)no1)C(C)(C)C ZINC000279604365 526171695 /nfs/dbraw/zinc/17/16/95/526171695.db2.gz RGRNJSOANLNOQQ-SNVBAGLBSA-N 0 1 270.336 3.534 20 0 CHADMN C[C@@H](c1nc2ccccc2o1)N1C[C@H]2CCCC[C@H]21 ZINC000368012947 526177045 /nfs/dbraw/zinc/17/70/45/526177045.db2.gz ZRSKIJWCUIHTIC-OUCADQQQSA-N 0 1 256.349 3.763 20 0 CHADMN Cc1cncc(CN2CCS[C@@H](c3ccccc3)C2)c1 ZINC000364800200 526198080 /nfs/dbraw/zinc/19/80/80/526198080.db2.gz TWSGIFZFURFOLO-QGZVFWFLSA-N 0 1 284.428 3.680 20 0 CHADMN Cc1ccc2c(c1)[C@H](N[C@@H]1CCCc3ccc(O)cc31)CO2 ZINC000366069050 526211822 /nfs/dbraw/zinc/21/18/22/526211822.db2.gz QMTWSBVKARMILH-QZTJIDSGSA-N 0 1 295.382 3.801 20 0 CHADMN Cc1ccc2ccccc2c1CN1CCC(=O)[C@H](C)C1 ZINC000338566947 526240167 /nfs/dbraw/zinc/24/01/67/526240167.db2.gz VEJZTEIRPXTVTN-CQSZACIVSA-N 0 1 267.372 3.559 20 0 CHADMN Cc1cnn(-c2ccncc2NCc2ccsc2C)c1 ZINC000339320033 526250596 /nfs/dbraw/zinc/25/05/96/526250596.db2.gz CZKMSUSWZDLXAA-UHFFFAOYSA-N 0 1 284.388 3.558 20 0 CHADMN Fc1cc(Cl)ccc1CNCCC(F)(F)F ZINC000162964283 526302386 /nfs/dbraw/zinc/30/23/86/526302386.db2.gz CIOPVMPIWISVAB-UHFFFAOYSA-N 0 1 255.642 3.521 20 0 CHADMN Fc1cc(F)cc(CN2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278587569 526306900 /nfs/dbraw/zinc/30/69/00/526306900.db2.gz DBQBTMATUCXPBF-VIFPVBQESA-N 0 1 279.252 3.739 20 0 CHADMN Fc1cc(F)cc(CNC2(c3ccccc3)CC2)c1 ZINC000270270664 526307308 /nfs/dbraw/zinc/30/73/08/526307308.db2.gz WCFJHJXNSRJGAC-UHFFFAOYSA-N 0 1 259.299 3.744 20 0 CHADMN Fc1ccc(C2=CC[C@H](NCc3cocn3)CC2)cc1 ZINC000354020634 526326670 /nfs/dbraw/zinc/32/66/70/526326670.db2.gz SVPRUKAIPWAOKS-HNNXBMFYSA-N 0 1 272.323 3.539 20 0 CHADMN Fc1ccc([C@H](C[C@@H]2CCOC2)NCc2ccoc2)cc1 ZINC000292253485 526364242 /nfs/dbraw/zinc/36/42/42/526364242.db2.gz SICVTJGYYAUOES-GUYCJALGSA-N 0 1 289.350 3.676 20 0 CHADMN Fc1ccc2c(c1)CC[C@H]2NCc1ccc2c(n1)CCCC2 ZINC000278446366 526369867 /nfs/dbraw/zinc/36/98/67/526369867.db2.gz KZLIFLQRZQOYPT-LJQANCHMSA-N 0 1 296.389 3.877 20 0 CHADMN Fc1ccc2c(c1)CC[C@@H]2NCc1ccc2c(n1)CCCC2 ZINC000278446362 526370469 /nfs/dbraw/zinc/37/04/69/526370469.db2.gz KZLIFLQRZQOYPT-IBGZPJMESA-N 0 1 296.389 3.877 20 0 CHADMN c1c2ccccc2[nH]c1CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000365652850 526402244 /nfs/dbraw/zinc/40/22/44/526402244.db2.gz BXLGTWQDPCKJRN-MSOLQXFVSA-N 0 1 296.414 3.701 20 0 CHADMN c1cc(-c2ccc(CNCc3coc4ccccc34)o2)n[nH]1 ZINC000339414981 526411473 /nfs/dbraw/zinc/41/14/73/526411473.db2.gz LCDLIZJOBBWENW-UHFFFAOYSA-N 0 1 293.326 3.706 20 0 CHADMN Fc1cncc(CN2CCC[C@@H]2c2ccccc2)c1 ZINC000275097000 526423320 /nfs/dbraw/zinc/42/33/20/526423320.db2.gz BAIWWPHSNICYRW-MRXNPFEDSA-N 0 1 256.324 3.558 20 0 CHADMN Cc1cscc1CNCc1cncc(Br)c1 ZINC000160588279 526467763 /nfs/dbraw/zinc/46/77/63/526467763.db2.gz WMCAIXAPTXXKJD-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN Cc1noc(C)c1CNCc1ccc(C(C)(F)F)cc1 ZINC000339419335 526514071 /nfs/dbraw/zinc/51/40/71/526514071.db2.gz MXMSXYVPGVIAPM-UHFFFAOYSA-N 0 1 280.318 3.693 20 0 CHADMN Cc1noc(C)c1CN[C@H](C)c1cc2c(s1)CCC2 ZINC000153946081 526517267 /nfs/dbraw/zinc/51/72/67/526517267.db2.gz PUUFWCYTXFWGTK-SNVBAGLBSA-N 0 1 276.405 3.692 20 0 CHADMN c1csc([C@@H](NC[C@H]2CCSC2)c2ccccc2)n1 ZINC000278488456 526584078 /nfs/dbraw/zinc/58/40/78/526584078.db2.gz LQTMOBXNSMYONH-OCCSQVGLSA-N 0 1 290.457 3.575 20 0 CHADMN c1sc(-c2ccccn2)nc1CN1CCC[C@@H](C2CC2)C1 ZINC000289508686 526629216 /nfs/dbraw/zinc/62/92/16/526629216.db2.gz UVWOPNSPCFVHMB-CQSZACIVSA-N 0 1 299.443 3.827 20 0 CHADMN O=C(c1ccn[nH]1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000084839535 526650188 /nfs/dbraw/zinc/65/01/88/526650188.db2.gz WWFSUEZPLAPAEF-SIFUEBAJSA-N 0 1 295.386 3.508 20 0 CHADMN Cc1noc([C@H](C)N[C@@H]2CCCC23CCCCC3)n1 ZINC000333600131 526664846 /nfs/dbraw/zinc/66/48/46/526664846.db2.gz VBQMOGGORAYMCH-WCQYABFASA-N 0 1 263.385 3.532 20 0 CHADMN Cc1nocc1CNC1(c2ccc(Cl)cc2)CCC1 ZINC000293431630 526689912 /nfs/dbraw/zinc/68/99/12/526689912.db2.gz BFBRTTXYCLUTHO-UHFFFAOYSA-N 0 1 276.767 3.805 20 0 CHADMN Cc1nocc1CNCc1c(C)c(C)c(C)c(C)c1C ZINC000339313786 526692488 /nfs/dbraw/zinc/69/24/88/526692488.db2.gz GGMZUQDFLBKTMN-UHFFFAOYSA-N 0 1 272.392 3.815 20 0 CHADMN Cc1nocc1CN[C@H]1CCc2ccc(C(C)C)cc21 ZINC000293221782 526697784 /nfs/dbraw/zinc/69/77/84/526697784.db2.gz JZRPKYBKZHPLBY-KRWDZBQOSA-N 0 1 270.376 3.884 20 0 CHADMN Cc1nc(C)c(CN2CCc3sccc3[C@H]2C)s1 ZINC000266019701 526718503 /nfs/dbraw/zinc/71/85/03/526718503.db2.gz PNNANNURWOXTND-SNVBAGLBSA-N 0 1 278.446 3.941 20 0 CHADMN Cc1sccc1CNCc1ccc2c(n1)CCCC2 ZINC000293161170 526915205 /nfs/dbraw/zinc/91/52/05/526915205.db2.gz FOHCKBCLTMPUMO-UHFFFAOYSA-N 0 1 272.417 3.620 20 0 CHADMN Cc1sccc1CN[C@H]1CCOc2c(F)cccc21 ZINC000293351610 526919745 /nfs/dbraw/zinc/91/97/45/526919745.db2.gz TXXCOLAGNWYDTA-AWEZNQCLSA-N 0 1 277.364 3.809 20 0 CHADMN Clc1ccc(-c2noc([C@H]3CCCN3C3CC3)n2)cc1 ZINC000279038173 526937089 /nfs/dbraw/zinc/93/70/89/526937089.db2.gz QIRNCTHSSWNIMI-CYBMUJFWSA-N 0 1 289.766 3.689 20 0 CHADMN Cc1nc(F)ccc1CN1CCC[C@@H]1c1ccsc1 ZINC000278376655 526944393 /nfs/dbraw/zinc/94/43/93/526944393.db2.gz CHTMASNHTXEHKU-CQSZACIVSA-N 0 1 276.380 3.928 20 0 CHADMN Cc1nc(F)ccc1CN[C@H]1CCSc2ccccc21 ZINC000278441996 526947876 /nfs/dbraw/zinc/94/78/76/526947876.db2.gz UTFPSUDTNZUBCA-AWEZNQCLSA-N 0 1 288.391 3.856 20 0 CHADMN Clc1nccc(CN2C[C@@H]3CCC[C@@H]3C2)c1Cl ZINC000290380891 527008699 /nfs/dbraw/zinc/00/86/99/527008699.db2.gz IMEDNPGNUIXCGV-AOOOYVTPSA-N 0 1 271.191 3.620 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(C)[C@H]2CCC(C)(C)C2)[nH]1 ZINC000338629971 527150415 /nfs/dbraw/zinc/15/04/15/527150415.db2.gz SPEHYDWBXCBUOQ-LBPRGKRZSA-N 0 1 285.391 3.522 20 0 CHADMN Cc1nc2c(cccc2C(=O)N(CC(C)C)CC(C)C)[nH]1 ZINC000338541759 527150527 /nfs/dbraw/zinc/15/05/27/527150527.db2.gz ZEPCCCWFUCOMRL-UHFFFAOYSA-N 0 1 287.407 3.626 20 0 CHADMN Cc1nc2c(cccc2C(=O)N2CCCC[C@H]2CC(C)C)[nH]1 ZINC000338573593 527152013 /nfs/dbraw/zinc/15/20/13/527152013.db2.gz JPIURGYRYVYVTF-AWEZNQCLSA-N 0 1 299.418 3.912 20 0 CHADMN Cc1nc2cccc(C(=O)Nc3cc(C)ccc3F)c2[nH]1 ZINC000338504663 527155993 /nfs/dbraw/zinc/15/59/93/527155993.db2.gz FUKNEHCMTKNDSY-UHFFFAOYSA-N 0 1 283.306 3.571 20 0 CHADMN Cc1ncc(CNCc2ccc(Br)cc2)s1 ZINC000040443647 527272747 /nfs/dbraw/zinc/27/27/47/527272747.db2.gz DHMUACFMSIJTDW-UHFFFAOYSA-N 0 1 297.221 3.504 20 0 CHADMN Cc1ncc(CN[C@@H](C)c2cc(F)cc(F)c2)s1 ZINC000094827173 527275539 /nfs/dbraw/zinc/27/55/39/527275539.db2.gz PVXRKHXUVFRCCR-QMMMGPOBSA-N 0 1 268.332 3.581 20 0 CHADMN Cc1ncc(CN[C@H](C)c2nccc3ccccc32)s1 ZINC000289714887 527279465 /nfs/dbraw/zinc/27/94/65/527279465.db2.gz LANZGNGNFJIDGJ-LLVKDONJSA-N 0 1 283.400 3.851 20 0 CHADMN Cc1nccc(N2CCS[C@H](C(C)C)C2)c1Cl ZINC000357310903 527347593 /nfs/dbraw/zinc/34/75/93/527347593.db2.gz UIZMHDNWGLBINR-LBPRGKRZSA-N 0 1 270.829 3.621 20 0 CHADMN Cc1nccnc1[C@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000187720914 527458960 /nfs/dbraw/zinc/45/89/60/527458960.db2.gz MKVBKYOZNIMOPD-GUYCJALGSA-N 0 1 267.376 3.587 20 0 CHADMN Cc1ncsc1CN[C@@H](c1ncccc1C)C(C)C ZINC000266180725 527511889 /nfs/dbraw/zinc/51/18/89/527511889.db2.gz GDNVZBROTHYIFC-CQSZACIVSA-N 0 1 275.421 3.642 20 0 CHADMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)C1CCCC1 ZINC000153780071 527513172 /nfs/dbraw/zinc/51/31/72/527513172.db2.gz TWCKBSFOOAQACP-UHFFFAOYSA-N 0 1 297.280 3.710 20 0 CHADMN Nc1ncc(CN2CCCC[C@@H]2c2ccc(F)cc2)s1 ZINC000262127080 527564384 /nfs/dbraw/zinc/56/43/84/527564384.db2.gz XVRLXMFFQKZZBI-CQSZACIVSA-N 0 1 291.395 3.592 20 0 CHADMN Cc1nn(C)c(Cl)c1CN[C@H](C)c1ccccc1C ZINC000163820994 527668038 /nfs/dbraw/zinc/66/80/38/527668038.db2.gz XHKKCIFVNNWFJC-LLVKDONJSA-N 0 1 277.799 3.541 20 0 CHADMN FC(F)(F)c1cnc(CNCCc2ccsc2)s1 ZINC000278710951 527689174 /nfs/dbraw/zinc/68/91/74/527689174.db2.gz RUOHHAHIBYMLOR-UHFFFAOYSA-N 0 1 292.351 3.556 20 0 CHADMN CCC1(c2nc(C3(N)CCCCC3)no2)CCCCC1 ZINC000331692916 527819919 /nfs/dbraw/zinc/81/99/19/527819919.db2.gz TXTGQMDRNZHWAY-UHFFFAOYSA-N 0 1 277.412 3.800 20 0 CHADMN CCCN(Cc1n[nH]cc1C)[C@H]1CCc2ccccc21 ZINC000356095036 528152382 /nfs/dbraw/zinc/15/23/82/528152382.db2.gz WVYRNMSTUAXZEF-KRWDZBQOSA-N 0 1 269.392 3.618 20 0 CHADMN CC(C)Oc1cccc(CNCc2ccc3cc[nH]c3n2)c1 ZINC000353225119 528226668 /nfs/dbraw/zinc/22/66/68/528226668.db2.gz LWLQZDAOOAYLFU-UHFFFAOYSA-N 0 1 295.386 3.640 20 0 CHADMN CCN(CCOC)[C@@H](C)c1cccc(Cl)c1F ZINC000347387650 528565644 /nfs/dbraw/zinc/56/56/44/528565644.db2.gz YVCLDCSSEZZVEM-JTQLQIEISA-N 0 1 259.752 3.508 20 0 CHADMN CC(C)C[C@H](NCc1cnn2ccccc12)c1ccccn1 ZINC000353872432 528572486 /nfs/dbraw/zinc/57/24/86/528572486.db2.gz VTOXQWRNAFSGLT-KRWDZBQOSA-N 0 1 294.402 3.606 20 0 CHADMN CCC(C)(C)c1ccc(NC(=O)c2cn[nH]c2C)cc1 ZINC000345044226 528608312 /nfs/dbraw/zinc/60/83/12/528608312.db2.gz NAHDHKPLOUFYLD-UHFFFAOYSA-N 0 1 271.364 3.658 20 0 CHADMN CC(C)Cc1ncc(CN2CCCO[C@@H](C(C)C)C2)s1 ZINC000354788318 528666958 /nfs/dbraw/zinc/66/69/58/528666958.db2.gz FOTDKCORPBPUFS-OAHLLOKOSA-N 0 1 296.480 3.589 20 0 CHADMN CCOCCN(C)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000354771993 528714294 /nfs/dbraw/zinc/71/42/94/528714294.db2.gz UQSOFYFJTOSBIB-UHFFFAOYSA-N 0 1 277.339 3.554 20 0 CHADMN CCN(Cc1c[nH]c2ccccc12)Cc1cncc(F)c1 ZINC000347161097 528763143 /nfs/dbraw/zinc/76/31/43/528763143.db2.gz HCTSQUDCFCBVHI-UHFFFAOYSA-N 0 1 283.350 3.724 20 0 CHADMN CC(C)[C@@H]1C[C@@H](N[C@@H](C)c2ccc(=O)[nH]n2)c2ccccc21 ZINC000353590381 528767330 /nfs/dbraw/zinc/76/73/30/528767330.db2.gz UBKOUGFSYLBHLX-YLQAJVPDSA-N 0 1 297.402 3.717 20 0 CHADMN CC(C)[C@@H]1N(Cc2cnn(C(C)(C)C)c2)CC1(C)C ZINC000353747777 528811847 /nfs/dbraw/zinc/81/18/47/528811847.db2.gz QCZDWCOYPUKLJK-AWEZNQCLSA-N 0 1 263.429 3.505 20 0 CHADMN CCC(CC)[C@@H](CCNc1cccc(C)n1)OC ZINC000354834821 528819205 /nfs/dbraw/zinc/81/92/05/528819205.db2.gz LBXUIRCFTQAIDH-CQSZACIVSA-N 0 1 250.386 3.643 20 0 CHADMN CCOCCO[C@@H]1CCN([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000347918262 528822590 /nfs/dbraw/zinc/82/25/90/528822590.db2.gz MDGUUBQLGIPZSS-XJKSGUPXSA-N 0 1 297.826 3.528 20 0 CHADMN CCCn1c2ccccc2nc1CN(CC)C1CCC1 ZINC000353866639 528825099 /nfs/dbraw/zinc/82/50/99/528825099.db2.gz JGCKGUCOJSVRKK-UHFFFAOYSA-N 0 1 271.408 3.821 20 0 CHADMN CCC(O)(CC)CNc1cc(C)nc2ccc(F)cc21 ZINC000301681544 528976627 /nfs/dbraw/zinc/97/66/27/528976627.db2.gz SBLOWJSVOQAVQU-UHFFFAOYSA-N 0 1 276.355 3.645 20 0 CHADMN CC1(C)CCN(Cc2cscc2C(F)(F)F)C1 ZINC000356121376 529012337 /nfs/dbraw/zinc/01/23/37/529012337.db2.gz FICRRHYUZIVTFM-UHFFFAOYSA-N 0 1 263.328 3.999 20 0 CHADMN CCSCc1cccc(NCc2[nH]ncc2C)c1 ZINC000352811972 529200428 /nfs/dbraw/zinc/20/04/28/529200428.db2.gz VGEJMVOLIBEZJS-UHFFFAOYSA-N 0 1 261.394 3.583 20 0 CHADMN CC[C@H]1CC[C@@H](C)N1Cc1ncc(CSC)s1 ZINC000353516278 529249384 /nfs/dbraw/zinc/24/93/84/529249384.db2.gz GOGSRBPEROCFPL-MNOVXSKESA-N 0 1 270.467 3.769 20 0 CHADMN CC[C@@H]1CCN(Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356107485 529327266 /nfs/dbraw/zinc/32/72/66/529327266.db2.gz DBADDGRZXLRUCW-SNVBAGLBSA-N 0 1 273.298 3.643 20 0 CHADMN CC(C)[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1cccc(F)c1 ZINC000736470964 599848634 /nfs/dbraw/zinc/84/86/34/599848634.db2.gz CPRLTLARLHGRCS-UHFFFAOYSA-N 0 1 291.322 3.528 20 0 CHADMN C[C@@H](C[N@@H+](Cc1cccc2ccccc21)C1CC1)C(=O)[O-] ZINC000071736653 599951066 /nfs/dbraw/zinc/95/10/66/599951066.db2.gz YYECAWYGJMOXOI-ZDUSSCGKSA-N 0 1 283.371 3.525 20 0 CHADMN C[N@@H+](Cc1cccc(C(=O)[O-])c1)[C@H]1CCCc2ccccc21 ZINC000737488125 599963089 /nfs/dbraw/zinc/96/30/89/599963089.db2.gz ZOYIGMTZESPHBQ-SFHVURJKSA-N 0 1 295.382 3.894 20 0 CHADMN C[N@@H+](Cc1ccc(Cl)s1)Cc1cccc(C(=O)[O-])c1 ZINC000048984996 599967342 /nfs/dbraw/zinc/96/73/42/599967342.db2.gz ZSQVKWIZUBXGGQ-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN C[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000032117295 599997795 /nfs/dbraw/zinc/99/77/95/599997795.db2.gz NOTBWKLWTCZZAW-CYBMUJFWSA-N 0 1 269.344 3.578 20 0 CHADMN C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000071264910 600083346 /nfs/dbraw/zinc/08/33/46/600083346.db2.gz DBTLMLKGJWDFFI-BXUZGUMPSA-N 0 1 279.355 3.534 20 0 CHADMN O=C([O-])c1ccc2c(c1)C[N@@H+]([C@H]1CCCc3ccccc31)C2 ZINC000740203800 600084484 /nfs/dbraw/zinc/08/44/84/600084484.db2.gz XIOUHPCAYHJIKK-SFHVURJKSA-N 0 1 293.366 3.778 20 0 CHADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccc2ccccc2c1 ZINC000086748203 600223223 /nfs/dbraw/zinc/22/32/23/600223223.db2.gz QOBGTYVFVRGFHQ-UHFFFAOYSA-N 0 1 271.360 3.525 20 0 CHADMN O=C([O-])CCC[N@@H+](Cc1cccs1)Cc1ccccc1 ZINC000734849963 600227635 /nfs/dbraw/zinc/22/76/35/600227635.db2.gz QMGWTAUDWWQQMP-UHFFFAOYSA-N 0 1 289.400 3.615 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)[C@@H](c2ccco2)C1 ZINC000578329852 600861687 /nfs/dbraw/zinc/86/16/87/600861687.db2.gz PZPDLXDCDBMVDJ-BXUZGUMPSA-N 0 1 289.331 3.544 20 0 CHADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC000828289720 600862801 /nfs/dbraw/zinc/86/28/01/600862801.db2.gz LRGBYJICJHOYHT-CZUORRHYSA-N 0 1 299.370 3.951 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000828456976 601043000 /nfs/dbraw/zinc/04/30/00/601043000.db2.gz PLDAWPKZUZWARJ-CXAGYDPISA-N 0 1 281.355 3.578 20 0 CHADMN C/C(=C/C[N@H+]1CCCCC[C@H]1c1ccccc1)C(=O)[O-] ZINC000825742230 601157954 /nfs/dbraw/zinc/15/79/54/601157954.db2.gz XCYHQMBMKYTLAG-QBOMHBFWSA-N 0 1 273.376 3.635 20 0 CHADMN C/C(=C/C[N@@H+](C1CC1)C1CC(c2ccccc2C)C1)C(=O)[O-] ZINC000825730356 601176078 /nfs/dbraw/zinc/17/60/78/601176078.db2.gz VGSROXRORSDMRY-ZROIWOOFSA-N 0 1 299.414 3.736 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000828424703 601178783 /nfs/dbraw/zinc/17/87/83/601178783.db2.gz RXVKHLBIWSCLQJ-HSMVNMDESA-N 0 1 285.343 3.732 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000652428603 601328016 /nfs/dbraw/zinc/32/80/16/601328016.db2.gz VSWXQMMKEXKJTR-GUTXKFCHSA-N 0 1 299.370 3.917 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)[C@@H]1CCc2ccccc21 ZINC000659785752 601616626 /nfs/dbraw/zinc/61/66/26/601616626.db2.gz HJLOBCOLRMAHHR-QGZVFWFLSA-N 0 1 299.345 3.643 20 0 CHADMN CC(C)[N@@H+](Cc1ccco1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000565432644 601623112 /nfs/dbraw/zinc/62/31/12/601623112.db2.gz WQTQAXMTIOXUGB-UHFFFAOYSA-N 0 1 291.322 3.528 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000579240383 601804146 /nfs/dbraw/zinc/80/41/46/601804146.db2.gz LZQWILALDFWFCL-LLVKDONJSA-N 0 1 293.413 3.845 20 0 CHADMN O=C([O-])c1sccc1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000572848633 601826773 /nfs/dbraw/zinc/82/67/73/601826773.db2.gz SSLINVBGLSUQEZ-INIZCTEOSA-N 0 1 291.416 3.769 20 0 CHADMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccsc2C(=O)[O-])C1 ZINC000593740034 601836239 /nfs/dbraw/zinc/83/62/39/601836239.db2.gz MXTHKPMHTLVJPL-VXGBXAGGSA-N 0 1 299.461 3.552 20 0 CHADMN O=C([O-])c1cccc(CNc2cccc3cc[nH+]cc32)c1 ZINC000833328981 601837130 /nfs/dbraw/zinc/83/71/30/601837130.db2.gz KRRKITUHIAGDEX-UHFFFAOYSA-N 0 1 278.311 3.545 20 0 CHADMN C[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccc(Cl)cc1 ZINC000109601705 601935600 /nfs/dbraw/zinc/93/56/00/601935600.db2.gz ULWIUAUHJXRETA-UHFFFAOYSA-N 0 1 295.791 3.732 20 0 CHADMN CC[N@@H+](CCc1ccccc1)Cc1ccc(C(=O)[O-])s1 ZINC000652397243 601942080 /nfs/dbraw/zinc/94/20/80/601942080.db2.gz FRQQVAQCEQSHAF-UHFFFAOYSA-N 0 1 289.400 3.511 20 0 CHADMN CC[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccc(C)cc1 ZINC000699474262 601944011 /nfs/dbraw/zinc/94/40/11/601944011.db2.gz NEWZILSSHHSPNZ-UHFFFAOYSA-N 0 1 289.400 3.777 20 0 CHADMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000828455673 601959422 /nfs/dbraw/zinc/95/94/22/601959422.db2.gz DZVXRSPYMUARNK-NHYWBVRUSA-N 0 1 287.384 3.639 20 0 CHADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000828455670 601959439 /nfs/dbraw/zinc/95/94/39/601959439.db2.gz DZVXRSPYMUARNK-ABAIWWIYSA-N 0 1 287.384 3.639 20 0 CHADMN Cc1cc([C@H](C)[N@@H+](C)Cc2ccccc2C)oc1C(=O)[O-] ZINC000565101221 604381294 /nfs/dbraw/zinc/38/12/94/604381294.db2.gz BWQXKUYPEJJWHW-ZDUSSCGKSA-N 0 1 287.359 3.788 20 0 CHADMN Cc1ccc(C[C@@H](C)Nc2ccc(C(=O)[O-])c(C)[nH+]2)s1 ZINC000147557566 604460486 /nfs/dbraw/zinc/46/04/86/604460486.db2.gz MDYDRGOGPGGSBT-SECBINFHSA-N 0 1 290.388 3.501 20 0 CHADMN C/C(=C/C[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C)C(=O)[O-] ZINC000833384448 604619979 /nfs/dbraw/zinc/61/99/79/604619979.db2.gz QVHIBXHGIDUZHX-UMAGTOLTSA-N 0 1 296.436 3.599 20 0 CHADMN CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833473271 604642340 /nfs/dbraw/zinc/64/23/40/604642340.db2.gz ZQAQEVVXTSQLAI-INIZCTEOSA-N 0 1 286.375 3.542 20 0 CHADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000833545905 605057946 /nfs/dbraw/zinc/05/79/46/605057946.db2.gz BZYBQOKJOSBRDT-NWDGAFQWSA-N 0 1 277.364 3.551 20 0 CHADMN C[C@@H](c1ccco1)[N@@H+](Cc1ccccc1CC(=O)[O-])C1CC1 ZINC000833550063 605076247 /nfs/dbraw/zinc/07/62/47/605076247.db2.gz QQUGPXHDRIVPPT-ZDUSSCGKSA-N 0 1 299.370 3.632 20 0 CHADMN C[C@@H]1CC[C@]2(CC[N@@H+](Cc3ccc(C(=O)[O-])c(F)c3)C2)C1 ZINC000570827272 605139905 /nfs/dbraw/zinc/13/99/05/605139905.db2.gz OMTPXDINFBRUBG-PXAZEXFGSA-N 0 1 291.366 3.536 20 0 CHADMN CCC[C@@H](C)CCC[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000629360822 953821536 /nfs/dbraw/zinc/82/15/36/953821536.db2.gz WEJDUCZQNBGVKR-KGLIPLIRSA-N 0 1 255.402 3.532 20 0 CHADMN